smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)CCC(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001338902044 936338560 /nfs/dbraw/zinc/33/85/60/936338560.db2.gz JPKDQKXPLMRSAB-DOTOQJQBSA-N 1 1 286.419 3.122 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccsc2)C[C@@H]1C ZINC001328223192 935125701 /nfs/dbraw/zinc/12/57/01/935125701.db2.gz LVUKMUZJHNEYQL-DZGCQCFKSA-N 1 1 292.448 3.297 20 30 CGEDMO C#CC[NH2+]CC(=O)Nc1ccc(S[C@@H](C)CC)cc1C ZINC001340014227 936395009 /nfs/dbraw/zinc/39/50/09/936395009.db2.gz PCHSGCWKVMWNKA-ZDUSSCGKSA-N 1 1 290.432 3.047 20 30 CGEDMO C=CCN(Cc1ccccc1)C(=O)Nc1cc(C)[nH+]c(C)c1 ZINC001340481536 936405500 /nfs/dbraw/zinc/40/55/00/936405500.db2.gz RPQYRYREQDTDGA-UHFFFAOYSA-N 1 1 295.386 3.340 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC001341024243 936424728 /nfs/dbraw/zinc/42/47/28/936424728.db2.gz HVKUABBRTJKBOY-OAHLLOKOSA-N 1 1 262.397 3.127 20 30 CGEDMO C=CCO[C@H]1CC[N@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC001342228220 936462847 /nfs/dbraw/zinc/46/28/47/936462847.db2.gz IMMNKIHOICEGJV-RDJZCZTQSA-N 1 1 275.367 3.480 20 30 CGEDMO C=CCOCC[N@H+](Cc1cccc(F)c1)C1CCC1 ZINC001473812111 937823104 /nfs/dbraw/zinc/82/31/04/937823104.db2.gz LVAWIWMOSLLCNQ-UHFFFAOYSA-N 1 1 263.356 3.383 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)C2(CCC)CC2)C1 ZINC001479963899 936949543 /nfs/dbraw/zinc/94/95/43/936949543.db2.gz YOWFEAFZPVPOFJ-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)CC(C)C)C1 ZINC001479967899 936950186 /nfs/dbraw/zinc/95/01/86/936950186.db2.gz PRWBPUWHSWWABN-HOTGVXAUSA-N 1 1 280.456 3.215 20 30 CGEDMO C#C[C@@H]1CCCN(c2[nH+]ccc3c(C)cccc32)C1 ZINC001349878041 936967178 /nfs/dbraw/zinc/96/71/78/936967178.db2.gz NDICWACGURASJL-CQSZACIVSA-N 1 1 250.345 3.393 20 30 CGEDMO C=CCC1(NC(=O)[C@@H]2CC[C@@H]3C[C@@H](C)C[N@@H+]3C2)CCCC1 ZINC001350090691 936978013 /nfs/dbraw/zinc/97/80/13/936978013.db2.gz CJIGLTVAGUEFGB-BZUAXINKSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCC[N@H+]([C@@H](C)CCC=C)C1 ZINC001480247251 937040897 /nfs/dbraw/zinc/04/08/97/937040897.db2.gz QSPCLCPCMGJHAB-HOTGVXAUSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)CCC(C)C ZINC001481026538 926864900 /nfs/dbraw/zinc/86/49/00/926864900.db2.gz ZGCVRHJVNKCALY-CVEARBPZSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@H]1CCC[N@@H+]1CCC(=C)C ZINC001481041906 926870747 /nfs/dbraw/zinc/87/07/47/926870747.db2.gz MEEVEVNALZVHCM-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)C(C)(C)C1CC1)C(C)C ZINC001481354164 926965452 /nfs/dbraw/zinc/96/54/52/926965452.db2.gz ZBFUUQWRJINYIV-UHFFFAOYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CCC(=O)N(CCC)[C@H]1CC[N@@H+](CC(=C)C)C1 ZINC001481399408 926977862 /nfs/dbraw/zinc/97/78/62/926977862.db2.gz JLPQBAYMRBJBRY-INIZCTEOSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)CCC2(C)CC2)C1 ZINC001481458578 926989227 /nfs/dbraw/zinc/98/92/27/926989227.db2.gz GKAUGJZJEVZJAB-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](CCNC(=O)C(CC)(CC)CC)C1 ZINC001481457056 926989328 /nfs/dbraw/zinc/98/93/28/926989328.db2.gz BNZCJPYINQVUBQ-HNNXBMFYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@]2(C)C=CCC2)C1 ZINC001481493941 927004844 /nfs/dbraw/zinc/00/48/44/927004844.db2.gz KEGRLHUEBDSUSO-AEFFLSMTSA-N 1 1 290.451 3.089 20 30 CGEDMO C#CC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)CCCCC)C1 ZINC001481508733 927007670 /nfs/dbraw/zinc/00/76/70/927007670.db2.gz LOQADBTWPYMYTQ-INIZCTEOSA-N 1 1 292.467 3.006 20 30 CGEDMO C#CC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)CCCCC)C1 ZINC001481508735 927008062 /nfs/dbraw/zinc/00/80/62/927008062.db2.gz LOQADBTWPYMYTQ-MRXNPFEDSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)CC2(C)CCCCC2)C1 ZINC001481703636 927063727 /nfs/dbraw/zinc/06/37/27/927063727.db2.gz BYAIBUCMLDKCMK-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)/C=C(\C)CC)CC2 ZINC001482068952 927140511 /nfs/dbraw/zinc/14/05/11/927140511.db2.gz LUNULYREZJJHSN-JQIJEIRASA-N 1 1 290.451 3.233 20 30 CGEDMO C=CC[C@@H](C(=O)OC)[N@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC001307464490 927226450 /nfs/dbraw/zinc/22/64/50/927226450.db2.gz ICOYOIFNCFBODP-WMZOPIPTSA-N 1 1 287.403 3.158 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCC1 ZINC001505431985 927281333 /nfs/dbraw/zinc/28/13/33/927281333.db2.gz CNSZDDCTAURPIS-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO Cc1cc(O[C@@H]2CCC[N@H+](C(C)C)C2)ccc1C#N ZINC001229213049 927326566 /nfs/dbraw/zinc/32/65/66/927326566.db2.gz JBVVPKWGUUUZRK-MRXNPFEDSA-N 1 1 258.365 3.118 20 30 CGEDMO C=CC[N@H+](C)CCN(C)C(=O)c1cccc(-c2ccoc2)c1 ZINC001482640359 927332853 /nfs/dbraw/zinc/33/28/53/927332853.db2.gz JBIPINRLGXYFOX-UHFFFAOYSA-N 1 1 298.386 3.136 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001473137733 937164229 /nfs/dbraw/zinc/16/42/29/937164229.db2.gz WBBDTGDVBABLPW-ZIAGYGMSSA-N 1 1 282.428 3.282 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)C(C)=C1CCCC1 ZINC001483326176 927482010 /nfs/dbraw/zinc/48/20/10/927482010.db2.gz DCNOEHARBFYBPA-CQSZACIVSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](F)c1ccccc1 ZINC001483391044 927495656 /nfs/dbraw/zinc/49/56/56/927495656.db2.gz MHXRZIDNIPQEML-ZBFHGGJFSA-N 1 1 292.398 3.100 20 30 CGEDMO C#CCC[N@H+](C)C[C@@H](C)NC(=O)[C@H](CC)CC1CCCC1 ZINC001483388348 927496200 /nfs/dbraw/zinc/49/62/00/927496200.db2.gz DZYJAYNKSNHWNE-NVXWUHKLSA-N 1 1 292.467 3.053 20 30 CGEDMO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](CCCCC)C(C)C ZINC001483692173 927576987 /nfs/dbraw/zinc/57/69/87/927576987.db2.gz VUOIMCFOYDLXEG-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](CCCCC)C(C)C ZINC001483692173 927576996 /nfs/dbraw/zinc/57/69/96/927576996.db2.gz VUOIMCFOYDLXEG-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC(=O)N1CC[C@]2(C1)CCC[N@H+](CC[C@H](C)F)C2 ZINC001483831806 927631204 /nfs/dbraw/zinc/63/12/04/927631204.db2.gz VVFYUOOXYZFFPC-DOTOQJQBSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001484016596 927662505 /nfs/dbraw/zinc/66/25/05/927662505.db2.gz UZLJZWJFCPWHGH-SJORKVTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCCN(C(=O)C(C)(C)F)[C@@H]2C1 ZINC001484467301 927708886 /nfs/dbraw/zinc/70/88/86/927708886.db2.gz GJHPFYZKDBEPBI-QLFBSQMISA-N 1 1 296.430 3.012 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C=C(CC)CC)CC1 ZINC001484711091 927739262 /nfs/dbraw/zinc/73/92/62/927739262.db2.gz KJYFGBFANOJBQM-INIZCTEOSA-N 1 1 278.440 3.280 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)/C=C\c1ccco1 ZINC001484731316 927745964 /nfs/dbraw/zinc/74/59/64/927745964.db2.gz ODHUDDBTFPJBOC-HJWRWDBZSA-N 1 1 290.407 3.039 20 30 CGEDMO C#CCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[C@H]1CC ZINC001484763794 927752519 /nfs/dbraw/zinc/75/25/19/927752519.db2.gz TWGBCRPIAVSYSB-IAGOWNOFSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)/C=C/C(C)(C)C)C[C@H]1C ZINC001484967920 927776335 /nfs/dbraw/zinc/77/63/35/927776335.db2.gz OFLZNOSFHGLFBF-MMCPSDEHSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)CCC2CCCC2)C[C@@H]1C ZINC001484968507 927777148 /nfs/dbraw/zinc/77/71/48/927777148.db2.gz IVMTXXZLKRVDAQ-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)CCC2CCCC2)C[C@H]1C ZINC001484968509 927778012 /nfs/dbraw/zinc/77/80/12/927778012.db2.gz IVMTXXZLKRVDAQ-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CC2(C)CC2)C[C@H]1C ZINC001484978973 927783536 /nfs/dbraw/zinc/78/35/36/927783536.db2.gz LNTBJSTZBOBPIC-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C)CCCC ZINC001485055000 927793037 /nfs/dbraw/zinc/79/30/37/927793037.db2.gz JVISMWCHYISUHA-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@H]1C[N@H+](C)CC(C)C ZINC001485057142 927800599 /nfs/dbraw/zinc/80/05/99/927800599.db2.gz CKLLBSFVUWDCHI-HNNXBMFYSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](CC)CC(C)C ZINC001485071924 927803400 /nfs/dbraw/zinc/80/34/00/927803400.db2.gz ABHHAFSKEPGTIJ-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C)CCCCCC ZINC001485072817 927805824 /nfs/dbraw/zinc/80/58/24/927805824.db2.gz ISXZZVULYLSJCI-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO C#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](C)CCCCCC ZINC001485072816 927806467 /nfs/dbraw/zinc/80/64/67/927806467.db2.gz ISXZZVULYLSJCI-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)CCC1CCCC1 ZINC001485271441 927838540 /nfs/dbraw/zinc/83/85/40/927838540.db2.gz WFQYCSHYPJSJGZ-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H](C)[N@H+](C)CCC)CCCCC1 ZINC001485389281 927862960 /nfs/dbraw/zinc/86/29/60/927862960.db2.gz POMDOFRDQZDTFU-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)CC(C)(C)CC)C(C)(C)C1 ZINC001485568845 927891084 /nfs/dbraw/zinc/89/10/84/927891084.db2.gz GTLWTMYHCJAONH-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC(=O)N[C@]12CCC[C@@H]1[N@@H+](C[C@@H](C)CC)CC2 ZINC001486138229 927986192 /nfs/dbraw/zinc/98/61/92/927986192.db2.gz IHQXZPYNRLPMCM-ZOBUZTSGSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)/C=C(\C)C3CC3)CCC[C@H]12 ZINC001486141751 927988726 /nfs/dbraw/zinc/98/87/26/927988726.db2.gz SFOSLZQNHXDDKX-HSCUQBEKSA-N 1 1 288.435 3.032 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@@]2(NC(=O)C(C)C)CCC[C@H]12 ZINC001486142771 927990140 /nfs/dbraw/zinc/99/01/40/927990140.db2.gz ZFKJEIMRUDEGMO-ZOBUZTSGSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C(=O)[C@H]1C[C@H]2C[C@H]2C1)C(C)C ZINC001486373893 928013594 /nfs/dbraw/zinc/01/35/94/928013594.db2.gz GHSMNJGZZURHJG-FVQHAEBGSA-N 1 1 292.467 3.168 20 30 CGEDMO CC#CC[N@@H+](C)CCN(C(=O)[C@H]1CCCC[C@H]1C)C(C)C ZINC001486375016 928015869 /nfs/dbraw/zinc/01/58/69/928015869.db2.gz QSCXPEUTIMUTII-SJORKVTESA-N 1 1 292.467 3.005 20 30 CGEDMO C[C@H]1CC[N@@H+](C2CCC(CC#N)CC2)CC1(F)F ZINC001173330541 928228684 /nfs/dbraw/zinc/22/86/84/928228684.db2.gz CBVSHHOOAGKWSH-HIFPTAJRSA-N 1 1 256.340 3.436 20 30 CGEDMO C[C@H]1CC[N@H+](C2CCC(CC#N)CC2)CC1(F)F ZINC001173330541 928228697 /nfs/dbraw/zinc/22/86/97/928228697.db2.gz CBVSHHOOAGKWSH-HIFPTAJRSA-N 1 1 256.340 3.436 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)/C=C/C(C)(C)C)C1 ZINC001494891337 928277150 /nfs/dbraw/zinc/27/71/50/928277150.db2.gz YQKYIWYIXFSLAR-TYZQSYOASA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1CC(C)C ZINC001488662750 928291305 /nfs/dbraw/zinc/29/13/05/928291305.db2.gz LKVXAJWRJNMOMI-IXDOHACOSA-N 1 1 292.467 3.168 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)C[C@@H](CC)CCCC)[C@H]1C ZINC001489280909 928324841 /nfs/dbraw/zinc/32/48/41/928324841.db2.gz KFAUGHSGMDBFMP-IKGGRYGDSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@@H+](CC2CC2)CC(C)(C)C1 ZINC001489346579 928328771 /nfs/dbraw/zinc/32/87/71/928328771.db2.gz CVHDRMSPPYRSJJ-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+](CC)CCCNC(=O)[C@@]1(C)CC=C(C)CC1 ZINC001490362275 928355299 /nfs/dbraw/zinc/35/52/99/928355299.db2.gz TTWOITOCAFAFLF-KRWDZBQOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)CC(C)(C)CC)C1 ZINC001490438690 928358615 /nfs/dbraw/zinc/35/86/15/928358615.db2.gz ZVKQFEPHWRGFDL-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001490449182 928358763 /nfs/dbraw/zinc/35/87/63/928358763.db2.gz MCMFKPZIENIHAD-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H](CC)CCCC)C1 ZINC001490428251 928363712 /nfs/dbraw/zinc/36/37/12/928363712.db2.gz UDIUHPIDBKACCC-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2ccccc2C)C1 ZINC001490517960 928366712 /nfs/dbraw/zinc/36/67/12/928366712.db2.gz YYXPQMDVLGRODX-CVEARBPZSA-N 1 1 286.419 3.154 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[N@H+](CC/C=C/CCC)C1 ZINC001490547573 928367638 /nfs/dbraw/zinc/36/76/38/928367638.db2.gz CDHQZXYNYQMNNW-FYCOFBDGSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)C2(CCC)CC2)C1 ZINC001490773143 928385497 /nfs/dbraw/zinc/38/54/97/928385497.db2.gz XUHKPLYHFQNKBO-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)C2(CC=C)CCC2)C1 ZINC001490770030 928386142 /nfs/dbraw/zinc/38/61/42/928386142.db2.gz AAJODAVQNQWLEI-MRXNPFEDSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](C)CCCC)C1 ZINC001490757561 928387124 /nfs/dbraw/zinc/38/71/24/928387124.db2.gz AOADIMBSOVVHNN-HZPDHXFCSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCC[C@H](C[N@H+](C)C(C)C)C1 ZINC001490760112 928388082 /nfs/dbraw/zinc/38/80/82/928388082.db2.gz XYAWWMWJKHDNML-MRXNPFEDSA-N 1 1 292.467 3.334 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)CCC ZINC001490801900 928408378 /nfs/dbraw/zinc/40/83/78/928408378.db2.gz RPQDJJQJPKWKMQ-GASCZTMLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)CCC ZINC001490801900 928408384 /nfs/dbraw/zinc/40/83/84/928408384.db2.gz RPQDJJQJPKWKMQ-GASCZTMLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)c1ccc(Cl)[nH]1 ZINC001320042934 928486328 /nfs/dbraw/zinc/48/63/28/928486328.db2.gz SHGJOGMYHDPIGQ-LBPRGKRZSA-N 1 1 297.830 3.027 20 30 CGEDMO C#CC[N@@H+](CC#CC)Cc1cc2ccnc(Cl)c2s1 ZINC001308617471 928534049 /nfs/dbraw/zinc/53/40/49/928534049.db2.gz ABBNEAVGFBGEIS-UHFFFAOYSA-N 1 1 288.803 3.408 20 30 CGEDMO C#CC[N@H+](CC#CC)Cc1cc2ccnc(Cl)c2s1 ZINC001308617471 928534055 /nfs/dbraw/zinc/53/40/55/928534055.db2.gz ABBNEAVGFBGEIS-UHFFFAOYSA-N 1 1 288.803 3.408 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)/C=C(/C)C2CC2)C1 ZINC001491092833 928830162 /nfs/dbraw/zinc/83/01/62/928830162.db2.gz JGCPYUYUJYUYRS-UVQBRAAOSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@H]1CCCC[N@H+]1CCC1CC1 ZINC001491224420 928843503 /nfs/dbraw/zinc/84/35/03/928843503.db2.gz IHILTAHYTNYTSW-SJLPKXTDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1CCCC[N@@H+]1CCCC ZINC001491211747 928843528 /nfs/dbraw/zinc/84/35/28/928843528.db2.gz CHQGOGYIVHKZBG-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C1(CCC)CC1 ZINC001491226500 928848738 /nfs/dbraw/zinc/84/87/38/928848738.db2.gz VQKQJIHCYBIHRF-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CC(C)(C)C=C)C1 ZINC001491286658 928853470 /nfs/dbraw/zinc/85/34/70/928853470.db2.gz KVBMWBICQKQAIQ-JKSUJKDBSA-N 1 1 292.467 3.382 20 30 CGEDMO C#CC[N@H+](CC[C@@H]1COC(C)(C)O1)[C@@H]1CCc2ccccc21 ZINC001459341071 937485910 /nfs/dbraw/zinc/48/59/10/937485910.db2.gz AGUQXSQRYJQVJG-SJLPKXTDSA-N 1 1 299.414 3.151 20 30 CGEDMO CC[C@@H](C)[N@@H+](CCO[C@H](C)C#N)CCc1ccccc1F ZINC001459384207 937486729 /nfs/dbraw/zinc/48/67/29/937486729.db2.gz DZDQILLYUBCCKM-HUUCEWRRSA-N 1 1 292.398 3.397 20 30 CGEDMO C#CC[NH+](CC#C)Cc1ccc(-c2ccsc2)cc1 ZINC001459530440 937491203 /nfs/dbraw/zinc/49/12/03/937491203.db2.gz QCIQADVOPIPPJY-UHFFFAOYSA-N 1 1 265.381 3.484 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC001459768242 937499570 /nfs/dbraw/zinc/49/95/70/937499570.db2.gz GARVVGJSFMMOLR-WMLDXEAASA-N 1 1 257.377 3.125 20 30 CGEDMO C=CC[N@@H+](CCC(=O)N1CCCc2ccccc21)C1CC1 ZINC001459816573 937501415 /nfs/dbraw/zinc/50/14/15/937501415.db2.gz XBMPXOGSSXUQBG-UHFFFAOYSA-N 1 1 284.403 3.006 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](CCN2CCCc3ccccc32)C1 ZINC001460522070 937533710 /nfs/dbraw/zinc/53/37/10/937533710.db2.gz LUEPLRMJDHRUDZ-MRXNPFEDSA-N 1 1 270.420 3.337 20 30 CGEDMO N#Cc1csc(C[N@H+]2C[C@H]3[C@H](C[C@@H]3c3ccccc3)C2)n1 ZINC001460619034 937537099 /nfs/dbraw/zinc/53/70/99/937537099.db2.gz RFGRSSSGCJWBBR-BMFZPTHFSA-N 1 1 295.411 3.250 20 30 CGEDMO N#Cc1csc(C[N@@H+]2C[C@H]3[C@H](C[C@@H]3c3ccccc3)C2)n1 ZINC001460619034 937537101 /nfs/dbraw/zinc/53/71/01/937537101.db2.gz RFGRSSSGCJWBBR-BMFZPTHFSA-N 1 1 295.411 3.250 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)c(F)c1)C[C@@H]1Cc2ccccc2O1 ZINC001139531604 931953951 /nfs/dbraw/zinc/95/39/51/931953951.db2.gz JZIACGUAPUWTBK-INIZCTEOSA-N 1 1 296.345 3.133 20 30 CGEDMO C[C@@H]1CSCCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC001460914678 937552302 /nfs/dbraw/zinc/55/23/02/937552302.db2.gz KHNVCHWNGMGJIS-CQSZACIVSA-N 1 1 290.432 3.155 20 30 CGEDMO Cc1ccsc1C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000402400014 932017691 /nfs/dbraw/zinc/01/76/91/932017691.db2.gz NRMSMWAIRQVXTO-HNNXBMFYSA-N 1 1 286.400 3.094 20 30 CGEDMO Cc1cc(C[N@H+](CCO)[C@H](C)c2ccccc2)ccc1C#N ZINC001461948971 937608157 /nfs/dbraw/zinc/60/81/57/937608157.db2.gz KKCDHMCVGUSYKC-MRXNPFEDSA-N 1 1 294.398 3.422 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](CCc2ccc(C)c(C)c2)C1 ZINC001461997261 937611721 /nfs/dbraw/zinc/61/17/21/937611721.db2.gz GVKOMSMTCVCFRF-QGZVFWFLSA-N 1 1 259.393 3.123 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1C ZINC001230651781 932603721 /nfs/dbraw/zinc/60/37/21/932603721.db2.gz QYOFWOJFHZIEJZ-MRXNPFEDSA-N 1 1 286.419 3.108 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCCCC ZINC001230775107 932622158 /nfs/dbraw/zinc/62/21/58/932622158.db2.gz CWDROFCDQILLSJ-HNNXBMFYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCC[C@H]([NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1)C(=O)OCC ZINC001462245503 937627080 /nfs/dbraw/zinc/62/70/80/937627080.db2.gz AYVLSDGBZYLVHO-TUVASFSCSA-N 1 1 267.413 3.299 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@@H]([N@@H+](C)C/C=C/Cl)C2)C1 ZINC001491946820 932798182 /nfs/dbraw/zinc/79/81/82/932798182.db2.gz KDSWZKOEZFMPOS-HZRUHFOJSA-N 1 1 296.842 3.018 20 30 CGEDMO C#C[C@H]([NH2+]Cc1c(Cl)ccnc1F)C(C)(C)C ZINC001462294207 937630193 /nfs/dbraw/zinc/63/01/93/937630193.db2.gz HYMNINHEBNOVKJ-NSHDSACASA-N 1 1 254.736 3.012 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCNC(=O)[C@H]1CCC=CCCC1 ZINC001316830229 932823629 /nfs/dbraw/zinc/82/36/29/932823629.db2.gz GEKHJKJIXZCDFA-HNNXBMFYSA-N 1 1 298.858 3.314 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCNC(=O)[C@H]1CCC=CCCC1 ZINC001316830229 932823633 /nfs/dbraw/zinc/82/36/33/932823633.db2.gz GEKHJKJIXZCDFA-HNNXBMFYSA-N 1 1 298.858 3.314 20 30 CGEDMO CC(C)[N@@H+](C)CCNc1c(Br)cccc1C#N ZINC001306953973 932900016 /nfs/dbraw/zinc/90/00/16/932900016.db2.gz RERBPOMZBBTSPE-UHFFFAOYSA-N 1 1 296.212 3.073 20 30 CGEDMO C#CC[N@@H+](CCOCC1CCC1)[C@H]1CCc2ccccc21 ZINC001307430858 932951671 /nfs/dbraw/zinc/95/16/71/932951671.db2.gz NZXCSCHLRWJAGI-IBGZPJMESA-N 1 1 283.415 3.426 20 30 CGEDMO N#CCC[N@@H+](CC1CC1)C[C@@H]1CCCC12CCOCC2 ZINC001307513333 932962579 /nfs/dbraw/zinc/96/25/79/932962579.db2.gz IWDLAOUBDIQKAW-INIZCTEOSA-N 1 1 276.424 3.209 20 30 CGEDMO C#CCCCCCC[N@@H+]1CC[C@H](OCC(C)C)C1 ZINC001307578390 932971949 /nfs/dbraw/zinc/97/19/49/932971949.db2.gz ARSIYCZDGNHIAI-INIZCTEOSA-N 1 1 251.414 3.317 20 30 CGEDMO C[C@@H]1C[N@@H+](CCc2ccc(C#N)cc2)CC(C)(C)C1 ZINC001307607096 932975896 /nfs/dbraw/zinc/97/58/96/932975896.db2.gz YRNWFZYSHYRCBW-AWEZNQCLSA-N 1 1 256.393 3.469 20 30 CGEDMO C=C(C)C[C@@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)C(=O)OCC ZINC001462551155 937649948 /nfs/dbraw/zinc/64/99/48/937649948.db2.gz UXDGXHUFVFVMAN-CBBWQLFWSA-N 1 1 267.413 3.299 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](CCN2C[C@@H](C)C[C@H](C)C2)C1 ZINC001307914536 933018990 /nfs/dbraw/zinc/01/89/90/933018990.db2.gz GRMIWUGGIAKMDX-YESZJQIVSA-N 1 1 264.457 3.252 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CCN2C[C@@H](C)C[C@H](C)C2)C1 ZINC001307914536 933018994 /nfs/dbraw/zinc/01/89/94/933018994.db2.gz GRMIWUGGIAKMDX-YESZJQIVSA-N 1 1 264.457 3.252 20 30 CGEDMO C#CCCCCCC[N@H+](CC)CCNC(=O)OC(C)(C)C ZINC001307935963 933023887 /nfs/dbraw/zinc/02/38/87/933023887.db2.gz FQONKJSIIOQVCS-UHFFFAOYSA-N 1 1 296.455 3.417 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C)c(F)c2)C1 ZINC001307961111 933026774 /nfs/dbraw/zinc/02/67/74/933026774.db2.gz HIHMPOVAEKODHZ-CQSZACIVSA-N 1 1 290.382 3.361 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@]1(C)C(=O)OC(C)(C)C ZINC001307958906 933027560 /nfs/dbraw/zinc/02/75/60/933027560.db2.gz VFOZGSYJBZOXPZ-OAHLLOKOSA-N 1 1 253.386 3.149 20 30 CGEDMO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC001307972995 933028366 /nfs/dbraw/zinc/02/83/66/933028366.db2.gz VEQHUZFMPUZWTP-CALCHBBNSA-N 1 1 294.439 3.141 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@]1(C)Cc1ccc(F)c(F)c1 ZINC001308015350 933033852 /nfs/dbraw/zinc/03/38/52/933033852.db2.gz NAFSYSKXEHUBET-INIZCTEOSA-N 1 1 263.331 3.385 20 30 CGEDMO C[C@@H](c1ccc2c(c1)CCC2)[N@@H+]1CCC[C@@H](C#N)C1 ZINC001308064096 933042063 /nfs/dbraw/zinc/04/20/63/933042063.db2.gz MFHAJSKWXLXDKN-KBPBESRZSA-N 1 1 254.377 3.472 20 30 CGEDMO C[C@@H](c1ccc2c(c1)CCC2)[N@H+]1CCC[C@@H](C#N)C1 ZINC001308064096 933042067 /nfs/dbraw/zinc/04/20/67/933042067.db2.gz MFHAJSKWXLXDKN-KBPBESRZSA-N 1 1 254.377 3.472 20 30 CGEDMO C=CCCCC[N@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC001308145326 933057775 /nfs/dbraw/zinc/05/77/75/933057775.db2.gz KXPHRKSVRAUYFD-JKSUJKDBSA-N 1 1 251.414 3.481 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CNCCC[NH+]1CCCCC1 ZINC001308186224 933068196 /nfs/dbraw/zinc/06/81/96/933068196.db2.gz TUBSKQNUMSKYPE-UHFFFAOYSA-N 1 1 285.435 3.141 20 30 CGEDMO C=CC[NH+](CC=C)[C@@H](CNCc1cc(C)ns1)C(C)C ZINC001308198008 933070901 /nfs/dbraw/zinc/07/09/01/933070901.db2.gz RKEZVOXQVQHTJS-INIZCTEOSA-N 1 1 293.480 3.240 20 30 CGEDMO C#CC[N@H+](Cc1cnc2c(F)cccc2c1)CC1CC1 ZINC001308604382 933141775 /nfs/dbraw/zinc/14/17/75/933141775.db2.gz XOCFGUZAYPSPDH-UHFFFAOYSA-N 1 1 268.335 3.219 20 30 CGEDMO C#C[C@@H](N[C@H]1CCC[N@H+](CC)C1)c1ccc(Cl)cc1 ZINC001308794682 933177775 /nfs/dbraw/zinc/17/77/75/933177775.db2.gz BHFFNUBHXBMMER-JKSUJKDBSA-N 1 1 276.811 3.088 20 30 CGEDMO C#C[C@@H]([NH2+][C@H]1CCCN(CC)C1)c1ccc(Cl)cc1 ZINC001308794682 933177778 /nfs/dbraw/zinc/17/77/78/933177778.db2.gz BHFFNUBHXBMMER-JKSUJKDBSA-N 1 1 276.811 3.088 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCSC[C@H]2C2CCC2)cc1 ZINC001308828139 933185530 /nfs/dbraw/zinc/18/55/30/933185530.db2.gz YMEBAOHCLUSQQN-KRWDZBQOSA-N 1 1 271.429 3.385 20 30 CGEDMO C=CCC[C@H](CCC)[NH2+][C@@H](CC1CCOCC1)C(=O)OC ZINC001308919979 933204589 /nfs/dbraw/zinc/20/45/89/933204589.db2.gz YRLKDDSVWRPGLD-HOTGVXAUSA-N 1 1 297.439 3.069 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H]1CNC(=O)CC1=CCCCC1 ZINC001317497846 933268725 /nfs/dbraw/zinc/26/87/25/933268725.db2.gz VABVYMGVHKKZJT-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCCNC(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC001316894941 933456679 /nfs/dbraw/zinc/45/66/79/933456679.db2.gz GPEUZQYRKLVEMK-GVDBMIGSSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@@H](C)C1CC1 ZINC001328799646 933464772 /nfs/dbraw/zinc/46/47/72/933464772.db2.gz YIAHXEBBEVPOKN-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC001317036217 933466514 /nfs/dbraw/zinc/46/65/14/933466514.db2.gz SCVLKPFBSUGGRH-DLBZAZTESA-N 1 1 290.451 3.089 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)C[C@@H](CC)C(C)(C)C)[C@H]1C ZINC001316794776 933482139 /nfs/dbraw/zinc/48/21/39/933482139.db2.gz UWARZAZNNYPOBB-OAGGEKHMSA-N 1 1 292.467 3.051 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C1CC(C)C1 ZINC001316803363 933483921 /nfs/dbraw/zinc/48/39/21/933483921.db2.gz LZMOLXIOSHLKHF-JCYILVPMSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](F)C(C)C)CC(C)(C)C1 ZINC001316810381 933486055 /nfs/dbraw/zinc/48/60/55/933486055.db2.gz GUUVFUKEHJTUSR-LSDHHAIUSA-N 1 1 298.446 3.163 20 30 CGEDMO C=CCC1(C(=O)NCCC[N@H+](C)CC2CC2)CCCCC1 ZINC001316866268 933487779 /nfs/dbraw/zinc/48/77/79/933487779.db2.gz IRCRHUTUYGFKND-UHFFFAOYSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CCC[N@H+](CCC(=C)C)C1 ZINC001316950818 933503092 /nfs/dbraw/zinc/50/30/92/933503092.db2.gz UWKIONDYTKYNPM-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[N@H+](CCCCCCC)C1 ZINC001316985066 933504453 /nfs/dbraw/zinc/50/44/53/933504453.db2.gz PFYZLLPZGKNTMP-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO CCCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCF ZINC001317051066 933521861 /nfs/dbraw/zinc/52/18/61/933521861.db2.gz PIEHHJGWLKAFJG-IYBDPMFKSA-N 1 1 298.446 3.382 20 30 CGEDMO C=CCCCC(=O)NC[C@H]1CCCC[N@@H+]1CC1CC(C)C1 ZINC001317173737 933547067 /nfs/dbraw/zinc/54/70/67/933547067.db2.gz MXRXRZUMLVJXGF-OFLPRAFFSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]([N@@H+](C)C/C=C\Cl)C1 ZINC001317380140 933582057 /nfs/dbraw/zinc/58/20/57/933582057.db2.gz ZHUWUGKHZFNGTQ-LUXYIKNCSA-N 1 1 298.858 3.264 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)CCC2(C)CC2)C1 ZINC001317382468 933582538 /nfs/dbraw/zinc/58/25/38/933582538.db2.gz RVWFMFHORUEBFL-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC1(C(=O)NCC[N@H+](C)[C@@H](C)CC)CCCCC1 ZINC001464797456 937695707 /nfs/dbraw/zinc/69/57/07/937695707.db2.gz VMUDCWPHPZWZPJ-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@H+](CC)CCNC(=O)C1C[C@H](C)C[C@@H](C)C1 ZINC001317492896 933604750 /nfs/dbraw/zinc/60/47/50/933604750.db2.gz QTEQWHIPXCFQJZ-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@]12C[C@H]1CCCC2 ZINC001317507546 933606088 /nfs/dbraw/zinc/60/60/88/933606088.db2.gz CFLAIOGQFKOLDW-JFIYKMOQSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](CNC(=O)CC2CCCC2)C1 ZINC001317517160 933609999 /nfs/dbraw/zinc/60/99/99/933609999.db2.gz KMCBFAAJRHDKDY-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)C1CCCCCCC1 ZINC001317543748 933614694 /nfs/dbraw/zinc/61/46/94/933614694.db2.gz UEDDZZQECCFFNS-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO CC#CC[N@@H+](CCC)CCNC(=O)c1ccc(C2CC2)cc1 ZINC001317546101 933615250 /nfs/dbraw/zinc/61/52/50/933615250.db2.gz MVZRIJFSKDIUQE-UHFFFAOYSA-N 1 1 298.430 3.029 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001317544814 933615264 /nfs/dbraw/zinc/61/52/64/933615264.db2.gz SCOXQCASXSDFAL-YJBOKZPZSA-N 1 1 294.483 3.463 20 30 CGEDMO C#CC[N@H+](CCCNC(=O)C1(CC(C)C)CCC1)C(C)C ZINC001317694333 933633644 /nfs/dbraw/zinc/63/36/44/933633644.db2.gz VAMIUHSXFRQOBZ-UHFFFAOYSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H](C)CC)C1 ZINC001317754368 933645375 /nfs/dbraw/zinc/64/53/75/933645375.db2.gz RAQXHZYTHUAWLD-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)C[C@H](C)C2CC2)C1 ZINC001317811511 933654773 /nfs/dbraw/zinc/65/47/73/933654773.db2.gz NNJKLKIUIBABQB-HOTGVXAUSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)CCC2CCC2)C1 ZINC001317832796 933656393 /nfs/dbraw/zinc/65/63/93/933656393.db2.gz MVPFKDRAYIKKAW-KRWDZBQOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)C2CCCC2)C1 ZINC001317856063 933659556 /nfs/dbraw/zinc/65/95/56/933659556.db2.gz CBJMMIRSINUDQL-JKSUJKDBSA-N 1 1 292.467 3.169 20 30 CGEDMO C#CCC[N@H+](C)CC1CCN(C(=O)CC[C@@H](C)CC)CC1 ZINC001317883238 933662924 /nfs/dbraw/zinc/66/29/24/933662924.db2.gz ZIRFCVLBTPUAAI-INIZCTEOSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H](C)Cc1ccc(OC)cc1 ZINC001318104011 933686135 /nfs/dbraw/zinc/68/61/35/933686135.db2.gz NFWJOIIEAULQEL-LBPRGKRZSA-N 1 1 253.773 3.311 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccs1 ZINC001318183662 933691343 /nfs/dbraw/zinc/69/13/43/933691343.db2.gz AJWNIEXZMVQQTM-RDBSUJKOSA-N 1 1 290.432 3.002 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](CC/C=C/CCC)C2)C1 ZINC001318355554 933713989 /nfs/dbraw/zinc/71/39/89/933713989.db2.gz HUCTVLNTMYIQQP-FYCOFBDGSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)CC)C1 ZINC001318425985 933724533 /nfs/dbraw/zinc/72/45/33/933724533.db2.gz ROWWAYBHJZFBFE-LSDHHAIUSA-N 1 1 280.456 3.310 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)/C=C/C(C)(C)C)C1 ZINC001318456427 933728916 /nfs/dbraw/zinc/72/89/16/933728916.db2.gz BJXYSEVNGYWPJR-GDXASINISA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)/C=C\C(C)(C)C)C1 ZINC001318456430 933729245 /nfs/dbraw/zinc/72/92/45/933729245.db2.gz BJXYSEVNGYWPJR-ZHUYAKLQSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC=CCC2)C1 ZINC001318457490 933729664 /nfs/dbraw/zinc/72/96/64/933729664.db2.gz GNZSLVLHKXGJIY-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC=CCC2)C1 ZINC001318457488 933729927 /nfs/dbraw/zinc/72/99/27/933729927.db2.gz GNZSLVLHKXGJIY-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CCC(=O)N(CC)[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC001318474404 933731916 /nfs/dbraw/zinc/73/19/16/933731916.db2.gz TXQVDRTVCXGALV-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C ZINC001467727946 937721629 /nfs/dbraw/zinc/72/16/29/937721629.db2.gz XNONNVDYUGLUGI-CVEARBPZSA-N 1 1 292.467 3.191 20 30 CGEDMO C=CCOc1cccc(C[N@H+](C)C(C)(C)CC(=O)OC)c1 ZINC001319713256 933919483 /nfs/dbraw/zinc/91/94/83/933919483.db2.gz VNIDYPMLAJNUQL-UHFFFAOYSA-N 1 1 291.391 3.025 20 30 CGEDMO C=C(C)C[N@@H+](C)CCC1CCN(C(=O)[C@H]2CC2(C)C)CC1 ZINC001319876926 933951302 /nfs/dbraw/zinc/95/13/02/933951302.db2.gz UTPDTUMMMHZSPD-MRXNPFEDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N(C)CC[N@H+](C)C[C@H](C)CC ZINC001320043182 933984680 /nfs/dbraw/zinc/98/46/80/933984680.db2.gz RRFAJULVLYMZFA-ZBFHGGJFSA-N 1 1 268.445 3.025 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+]([C@@H](C)c2c(F)cccc2F)C1 ZINC001320038370 933985110 /nfs/dbraw/zinc/98/51/10/933985110.db2.gz RAZOLGZGILOAPM-NWDGAFQWSA-N 1 1 267.319 3.303 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+]([C@@H](C)c2c(F)cccc2F)C1 ZINC001320038370 933985114 /nfs/dbraw/zinc/98/51/14/933985114.db2.gz RAZOLGZGILOAPM-NWDGAFQWSA-N 1 1 267.319 3.303 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cccc(OC(C)C)c2)C1 ZINC001320037459 933986570 /nfs/dbraw/zinc/98/65/70/933986570.db2.gz FHXCRVOXZICAAC-QGZVFWFLSA-N 1 1 275.392 3.251 20 30 CGEDMO C#CC[N@H+](C)CCN(C)C(=O)C1CCC(CCCC)CC1 ZINC001320080287 933995803 /nfs/dbraw/zinc/99/58/03/933995803.db2.gz KUZUGYNEQYGTRC-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCC(C)C)CC[C@@H]21 ZINC001320113476 934002918 /nfs/dbraw/zinc/00/29/18/934002918.db2.gz YETWBDJJXALBLU-SJORKVTESA-N 1 1 292.467 3.312 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)CCc1ccc(F)cc1F ZINC001320138120 934007816 /nfs/dbraw/zinc/00/78/16/934007816.db2.gz XPBVVAXQWWOEGY-UHFFFAOYSA-N 1 1 266.335 3.379 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001320307123 934027052 /nfs/dbraw/zinc/02/70/52/934027052.db2.gz AFEPMCXAWZRKPC-GFCCVEGCSA-N 1 1 296.754 3.025 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001320307123 934027057 /nfs/dbraw/zinc/02/70/57/934027057.db2.gz AFEPMCXAWZRKPC-GFCCVEGCSA-N 1 1 296.754 3.025 20 30 CGEDMO C=C[C@@H](COC)[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC001320591468 934070958 /nfs/dbraw/zinc/07/09/58/934070958.db2.gz GUNVLHZWXFGHOB-ZDUSSCGKSA-N 1 1 274.389 3.101 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)CC(C)C ZINC001322274061 934268433 /nfs/dbraw/zinc/26/84/33/934268433.db2.gz LIPFWJBKHMCMSG-CQSZACIVSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(C)cc1 ZINC001322284873 934270963 /nfs/dbraw/zinc/27/09/63/934270963.db2.gz GJPUOOWVDUWFQF-OAHLLOKOSA-N 1 1 274.408 3.011 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)c1sccc1F ZINC001323232882 934376563 /nfs/dbraw/zinc/37/65/63/934376563.db2.gz SGKULSLBEXWTSY-RYUDHWBXSA-N 1 1 296.411 3.046 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(Cc2ccc(C)cc2)CC1 ZINC001323338544 934385674 /nfs/dbraw/zinc/38/56/74/934385674.db2.gz LBTBYJVGKKUQHW-UHFFFAOYSA-N 1 1 272.436 3.469 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]1CNC(=O)[C@H](C=C)c1ccccc1 ZINC001323357637 934388544 /nfs/dbraw/zinc/38/85/44/934388544.db2.gz OJAATTJXRCLZRI-ZWKOTPCHSA-N 1 1 298.430 3.113 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)C1(C)C(C)(C)C1(C)C ZINC001323372054 934392125 /nfs/dbraw/zinc/39/21/25/934392125.db2.gz PTBSYBNUSIWCNP-CQSZACIVSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](CCCOc2ccc(Cl)cc2)C1 ZINC001323728382 934421566 /nfs/dbraw/zinc/42/15/66/934421566.db2.gz MGOVJSXLVVBKDN-MRXNPFEDSA-N 1 1 295.810 3.386 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@]2(CCN(C(=O)CC3CC3)C2)C1 ZINC001323837001 934431268 /nfs/dbraw/zinc/43/12/68/934431268.db2.gz YOTCHYMPOQQNGA-QAPCUYQASA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)/C(C)=C\CC)C2)C1 ZINC001323844658 934431658 /nfs/dbraw/zinc/43/16/58/934431658.db2.gz MDHQZBGHZOLPMH-CTJNPYBDSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC ZINC001324544516 934521338 /nfs/dbraw/zinc/52/13/38/934521338.db2.gz DSGCXXUTSVPDNJ-CABCVRRESA-N 1 1 278.440 3.064 20 30 CGEDMO C=C[C@@H](COC)[NH2+]Cc1cc(Cl)sc1Cl ZINC001324659481 934542478 /nfs/dbraw/zinc/54/24/78/934542478.db2.gz CTWWQFPGSRDWMG-QMMMGPOBSA-N 1 1 266.193 3.346 20 30 CGEDMO C[C@@H](CC#N)[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001324743772 934561277 /nfs/dbraw/zinc/56/12/77/934561277.db2.gz ILMHUXVRVBLSBY-AWEZNQCLSA-N 1 1 257.381 3.021 20 30 CGEDMO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001324743772 934561281 /nfs/dbraw/zinc/56/12/81/934561281.db2.gz ILMHUXVRVBLSBY-AWEZNQCLSA-N 1 1 257.381 3.021 20 30 CGEDMO Cc1nc(NC[C@@H]2CC[N@H+]2C2CCCCCC2)ccc1C#N ZINC001472857812 937786964 /nfs/dbraw/zinc/78/69/64/937786964.db2.gz PLXZQNIZTLZVJI-KRWDZBQOSA-N 1 1 298.434 3.471 20 30 CGEDMO C#CCOCC[N@@H+](Cc1ccccc1)CC(C)(C)C ZINC001473155887 937794811 /nfs/dbraw/zinc/79/48/11/937794811.db2.gz MRKREGJZALAKHI-UHFFFAOYSA-N 1 1 259.393 3.185 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1CC1(CC#N)CC1 ZINC001473283665 937800465 /nfs/dbraw/zinc/80/04/65/937800465.db2.gz SKDXDOCUMLLRNS-IRXDYDNUSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@H]1C[N@H+](CC2(CC#N)CC2)[C@@H](C)CN1Cc1ccccc1 ZINC001473283665 937800467 /nfs/dbraw/zinc/80/04/67/937800467.db2.gz SKDXDOCUMLLRNS-IRXDYDNUSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@H]1C[N@@H+](CC2(CC#N)CC2)[C@@H](C)CN1Cc1ccccc1 ZINC001473283665 937800469 /nfs/dbraw/zinc/80/04/69/937800469.db2.gz SKDXDOCUMLLRNS-IRXDYDNUSA-N 1 1 297.446 3.275 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC001473304370 937801493 /nfs/dbraw/zinc/80/14/93/937801493.db2.gz NMXAZMAZYHXHEH-CYBMUJFWSA-N 1 1 299.773 3.135 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)C2(CCC)CC2)C1 ZINC001324962377 934876506 /nfs/dbraw/zinc/87/65/06/934876506.db2.gz ZMVKPUQOGUFBJB-QGZVFWFLSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@]1(C)CCC[N@H+](C(C)C)C1 ZINC001324959046 934877125 /nfs/dbraw/zinc/87/71/25/934877125.db2.gz ZSUFINHDZBBGRZ-IAGOWNOFSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC001325227591 934896592 /nfs/dbraw/zinc/89/65/92/934896592.db2.gz HFIUVFRMVZMZJV-MRXNPFEDSA-N 1 1 284.403 3.265 20 30 CGEDMO C=C[C@H](COC)[NH2+]Cc1sc(C)cc1Br ZINC001325324567 934904460 /nfs/dbraw/zinc/90/44/60/934904460.db2.gz BYLXTNFOZCXJQE-SECBINFHSA-N 1 1 290.226 3.110 20 30 CGEDMO Cc1ccc(CN2CC[N@H+](C)[C@@H](C(C)(C)C)C2)cc1C#N ZINC001473599752 937812941 /nfs/dbraw/zinc/81/29/41/937812941.db2.gz QUFXABHDBVXZID-QGZVFWFLSA-N 1 1 285.435 3.029 20 30 CGEDMO Cc1ccc(C[N@H+]2CCN(C)[C@@H](C(C)(C)C)C2)cc1C#N ZINC001473599752 937812943 /nfs/dbraw/zinc/81/29/43/937812943.db2.gz QUFXABHDBVXZID-QGZVFWFLSA-N 1 1 285.435 3.029 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCN(C)[C@@H](C(C)(C)C)C2)cc1C#N ZINC001473599752 937812945 /nfs/dbraw/zinc/81/29/45/937812945.db2.gz QUFXABHDBVXZID-QGZVFWFLSA-N 1 1 285.435 3.029 20 30 CGEDMO CC#CC[N@@H+]1[C@H](C)[C@@H](C)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001473595173 937812953 /nfs/dbraw/zinc/81/29/53/937812953.db2.gz RGACILYUAYQHQW-ZNMIVQPWSA-N 1 1 294.439 3.023 20 30 CGEDMO C=C[C@@H](COC)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC001326283581 934966808 /nfs/dbraw/zinc/96/68/08/934966808.db2.gz PIWIIBBXBNZGHD-ZJUUUORDSA-N 1 1 289.297 3.263 20 30 CGEDMO C=CCC[N@@H+](CC(=O)OC(C)(C)C)CC(C)(C)C ZINC001473667443 937816689 /nfs/dbraw/zinc/81/66/89/937816689.db2.gz XRJDHPRCTXQNES-UHFFFAOYSA-N 1 1 255.402 3.252 20 30 CGEDMO CN(CCC[N@@H+](C)[C@H]1CCC[C@@H]1C#N)c1ccccc1 ZINC001473708373 937818265 /nfs/dbraw/zinc/81/82/65/937818265.db2.gz UKYJEJHAVGZCHH-WBVHZDCISA-N 1 1 271.408 3.137 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)C[C@H](C)C1CCCCC1 ZINC001473705853 937818271 /nfs/dbraw/zinc/81/82/71/937818271.db2.gz GQNDGSGTTITUIY-GOEBONIOSA-N 1 1 253.430 3.462 20 30 CGEDMO CC[N@H+]1CCC[C@@H](CNc2cc(Cl)ccc2C#N)C1 ZINC001327617595 935074434 /nfs/dbraw/zinc/07/44/34/935074434.db2.gz VLSFGOXOHCYBGH-LBPRGKRZSA-N 1 1 277.799 3.355 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC001328109035 935117761 /nfs/dbraw/zinc/11/77/61/935117761.db2.gz WQRDKKHSXDZQCJ-DUMMIQTOSA-N 1 1 286.419 3.043 20 30 CGEDMO C=C/C(C)=C\CC(=O)N[C@@H]1CC[N@H+](CC(=C)Cl)[C@@H](C)C1 ZINC001328269443 935126507 /nfs/dbraw/zinc/12/65/07/935126507.db2.gz XWTGXAIEFOXOOY-OQULSUTQSA-N 1 1 296.842 3.230 20 30 CGEDMO C=C/C(C)=C\CC(=O)N[C@@H]1CC[N@@H+](CC(=C)Cl)[C@@H](C)C1 ZINC001328269443 935126512 /nfs/dbraw/zinc/12/65/12/935126512.db2.gz XWTGXAIEFOXOOY-OQULSUTQSA-N 1 1 296.842 3.230 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)[C@H](C)C1 ZINC001328241513 935127265 /nfs/dbraw/zinc/12/72/65/935127265.db2.gz KDGMNTNRGYEIQV-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC1(C)C ZINC001328751695 935166665 /nfs/dbraw/zinc/16/66/65/935166665.db2.gz ACWXLZRXCSBRTK-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)CCCC(C)C ZINC001328764510 935167734 /nfs/dbraw/zinc/16/77/34/935167734.db2.gz BJFVPBHXZWWROB-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO N#CCC[C@H]([NH2+]Cc1ccnc(F)c1)c1ccccc1 ZINC001328765680 935168069 /nfs/dbraw/zinc/16/80/69/935168069.db2.gz YCDWEHFVTFPLMK-HNNXBMFYSA-N 1 1 269.323 3.355 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)C1CCC=CCC1 ZINC001328798708 935169812 /nfs/dbraw/zinc/16/98/12/935169812.db2.gz SGZOOGXEDOFEIU-QGZVFWFLSA-N 1 1 290.451 3.232 20 30 CGEDMO C[NH+](C)[C@H]1CCCC[C@@H]1NCc1ccc(C(C)(C)C#N)cc1 ZINC001329113339 935187715 /nfs/dbraw/zinc/18/77/15/935187715.db2.gz JDUJZCPMGZLXBV-ROUUACIJSA-N 1 1 299.462 3.450 20 30 CGEDMO C=CCCC(=O)NC[C@H](C)[N@@H+](C)CCC1CCCCC1 ZINC001329398593 935212161 /nfs/dbraw/zinc/21/21/61/935212161.db2.gz SVUQUAFIBROQKJ-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)c1ccc(CCC)s1 ZINC001329448926 935217434 /nfs/dbraw/zinc/21/74/34/935217434.db2.gz FKWAQCSEYCOOIS-ZDUSSCGKSA-N 1 1 294.464 3.327 20 30 CGEDMO C#CC[N@H+](C)[C@H](C)CNC(=O)c1ccc(C2CCCC2)cc1 ZINC001329488556 935220327 /nfs/dbraw/zinc/22/03/27/935220327.db2.gz MHRYTHMWZJUIBV-OAHLLOKOSA-N 1 1 298.430 3.028 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)CNC(=O)c1sccc1C(C)C ZINC001329622034 935234236 /nfs/dbraw/zinc/23/42/36/935234236.db2.gz BONPIPNQYRMHQO-GFCCVEGCSA-N 1 1 280.437 3.108 20 30 CGEDMO C#CCC[N@H+](C)[C@H](C)CNC(=O)CC1CCC(C)(C)CC1 ZINC001329628818 935235425 /nfs/dbraw/zinc/23/54/25/935235425.db2.gz UTIMBUDPUBXSHN-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCCCC[N@@H+]1C[C@H](C)CC ZINC001329909036 935254094 /nfs/dbraw/zinc/25/40/94/935254094.db2.gz OQIZGMONLONPQB-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)C[C@H](C=C)CC ZINC001329937122 935256099 /nfs/dbraw/zinc/25/60/99/935256099.db2.gz LRLKSEWGUJOBFI-CVEARBPZSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)/C=C(/C)C2CC2)C(C)(C)C1 ZINC001330175622 935273206 /nfs/dbraw/zinc/27/32/06/935273206.db2.gz KRXJIZIWSSRHHM-SYCZXOQXSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C=C(C)C)C[C@H]2C1 ZINC001330445481 935288868 /nfs/dbraw/zinc/28/88/68/935288868.db2.gz LGGQVLSQJQRPGL-ULQDDVLXSA-N 1 1 290.451 3.136 20 30 CGEDMO CS[C@H]1CC[C@H]([N@@H+](C)Cc2cccc(F)c2C#N)C1 ZINC001330600744 935301972 /nfs/dbraw/zinc/30/19/72/935301972.db2.gz MEICOMCFZAUDCX-STQMWFEESA-N 1 1 278.396 3.413 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2)[C@@H]1C ZINC001332162902 935445670 /nfs/dbraw/zinc/44/56/70/935445670.db2.gz YQSYFZAMVUHBFI-DOTOQJQBSA-N 1 1 286.419 3.236 20 30 CGEDMO CC(C)(C)[C@@H]1CC[N@@H+](CC2CCC(C#N)CC2)C[C@@H]1O ZINC001333911203 936075097 /nfs/dbraw/zinc/07/50/97/936075097.db2.gz HJOWKRVRDCXDHE-FJBKBRRZSA-N 1 1 278.440 3.045 20 30 CGEDMO COc1cccc2c1CC[N@@H+](CC1CCC(C#N)CC1)C2 ZINC001334745160 936111347 /nfs/dbraw/zinc/11/13/47/936111347.db2.gz IBAATULSRGOBNX-UHFFFAOYSA-N 1 1 284.403 3.383 20 30 CGEDMO CO[C@@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)CC1 ZINC001334768651 936113065 /nfs/dbraw/zinc/11/30/65/936113065.db2.gz GWBAVUCGWPQHAI-OAHLLOKOSA-N 1 1 264.413 3.351 20 30 CGEDMO N#Cc1ccc(N[NH+]=Cc2ccc(N)c(Cl)c2)cc1 ZINC001335499822 936149606 /nfs/dbraw/zinc/14/96/06/936149606.db2.gz QSELTDSMSHYFIV-UHFFFAOYSA-N 1 1 270.723 3.240 20 30 CGEDMO CC[N@@H+](Cc1cncc(C#N)c1)[C@@H]1CCCC[C@H]1C ZINC001335885027 936165517 /nfs/dbraw/zinc/16/55/17/936165517.db2.gz PGNBGASHDSJEAV-CZUORRHYSA-N 1 1 257.381 3.354 20 30 CGEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@@H](C3CCC3)CC2)CCC1 ZINC001473742026 937819900 /nfs/dbraw/zinc/81/99/00/937819900.db2.gz NOINVIHPKSPCGU-SJORKVTESA-N 1 1 290.451 3.333 20 30 CGEDMO C#C[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC001473867998 937826085 /nfs/dbraw/zinc/82/60/85/937826085.db2.gz DJPAELRFGVPSHM-CABCVRRESA-N 1 1 297.320 3.227 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1C2CCC1(CNC(=O)OC(C)(C)C)CC2 ZINC001473874709 937826544 /nfs/dbraw/zinc/82/65/44/937826544.db2.gz DQPJFDWTUMWWDB-TUBUQKNSSA-N 1 1 294.439 3.473 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+]1CCc2cc(C(C)C)ccc2C1 ZINC001473904017 937829075 /nfs/dbraw/zinc/82/90/75/937829075.db2.gz KDNCINROEAQLHX-KRWDZBQOSA-N 1 1 259.393 3.105 20 30 CGEDMO C[C@@H](CC#N)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC001474250845 937846369 /nfs/dbraw/zinc/84/63/69/937846369.db2.gz LVCKXYYPLSOKCY-JTQLQIEISA-N 1 1 285.313 3.163 20 30 CGEDMO N#Cc1csc(C[NH2+]C/C=C/c2ccc(F)c(F)c2)n1 ZINC001474281343 937848344 /nfs/dbraw/zinc/84/83/44/937848344.db2.gz DCCAVAKIPAPRNI-OWOJBTEDSA-N 1 1 291.326 3.096 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cnc(OC)s1 ZINC001474369454 937855656 /nfs/dbraw/zinc/85/56/56/937855656.db2.gz GTPJWTPFPJMBDF-UHFFFAOYSA-N 1 1 254.399 3.330 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(C)c(Cl)c1)C1CSC1 ZINC001474674554 937874531 /nfs/dbraw/zinc/87/45/31/937874531.db2.gz HKUMTCRNJUYBRC-UHFFFAOYSA-N 1 1 265.809 3.199 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C)c(Cl)c1)C1CSC1 ZINC001474674554 937874532 /nfs/dbraw/zinc/87/45/32/937874532.db2.gz HKUMTCRNJUYBRC-UHFFFAOYSA-N 1 1 265.809 3.199 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1c(OC)cccc1OC ZINC001474739545 937877979 /nfs/dbraw/zinc/87/79/79/937877979.db2.gz YTKIVWLQBXXSRA-UHFFFAOYSA-N 1 1 263.381 3.492 20 30 CGEDMO CC#CC[N@H+](C)Cc1cccc2c(OC)cccc12 ZINC001474734114 937878012 /nfs/dbraw/zinc/87/80/12/937878012.db2.gz HJBNCTMRFIATCX-UHFFFAOYSA-N 1 1 253.345 3.304 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1F)C[C@]12CCC[C@H]1OCC2 ZINC001474755367 937879376 /nfs/dbraw/zinc/87/93/76/937879376.db2.gz PLWUZOXKMCEMMI-IAGOWNOFSA-N 1 1 288.366 3.088 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC2(C)CCCC2)[C@H]1C ZINC001479704852 937924309 /nfs/dbraw/zinc/92/43/09/937924309.db2.gz BWYNQRZHGFJPIB-KGLIPLIRSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC2(C)CCCC2)[C@H]1C ZINC001479704852 937924310 /nfs/dbraw/zinc/92/43/10/937924310.db2.gz BWYNQRZHGFJPIB-KGLIPLIRSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)C(CC)CC ZINC001479732514 937924614 /nfs/dbraw/zinc/92/46/14/937924614.db2.gz LUKWFWMMDYYIOM-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCC2CC2)CC(C)(C)C1 ZINC001479743378 937924780 /nfs/dbraw/zinc/92/47/80/937924780.db2.gz AOOHYEZNZOUQMS-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)CC)CC(C)(C)C1 ZINC001479743303 937924966 /nfs/dbraw/zinc/92/49/66/937924966.db2.gz UXJKIAIODGFZHF-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](C)CCCC ZINC001479733892 937924969 /nfs/dbraw/zinc/92/49/69/937924969.db2.gz FBWZBKUSABRAOC-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](CC)CC(C)C ZINC001479738460 937925066 /nfs/dbraw/zinc/92/50/66/937925066.db2.gz DAMMCLCZJGMSNY-SJORKVTESA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)[C@@H]1CCC[C@H](C)C1 ZINC001479852685 937927447 /nfs/dbraw/zinc/92/74/47/937927447.db2.gz OZDGYIREHZUDGQ-JKSUJKDBSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@@H+](CCCNC(=O)[C@@H]1CC=CCC1)C1CC1 ZINC001479864241 937928130 /nfs/dbraw/zinc/92/81/30/937928130.db2.gz SBNPDIRILLQICB-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CCCC)C(C)C)C1 ZINC001479914961 937928719 /nfs/dbraw/zinc/92/87/19/937928719.db2.gz BJGPFTBBRDNUKN-IRXDYDNUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H](C[N@H+](C)C[C@@H](F)CC)C1 ZINC001480085414 937932147 /nfs/dbraw/zinc/93/21/47/937932147.db2.gz RBJCDYRULUHGKU-CVEARBPZSA-N 1 1 298.446 3.261 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCCCC)C1 ZINC001480184025 937933825 /nfs/dbraw/zinc/93/38/25/937933825.db2.gz ISBQJXLPBWPSPG-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](CNC(=O)[C@@](C)(C=C)CC)C1 ZINC001480263058 937935033 /nfs/dbraw/zinc/93/50/33/937935033.db2.gz QTPLZNRFOBWUCM-AEFFLSMTSA-N 1 1 292.467 3.383 20 30 CGEDMO CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H](CC)C(C)C ZINC001480333994 937936962 /nfs/dbraw/zinc/93/69/62/937936962.db2.gz YXXQVRPAAKMREW-SJORKVTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](CCCC)C1 ZINC001480382023 937937704 /nfs/dbraw/zinc/93/77/04/937937704.db2.gz HTQNHASZLVKGMQ-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CC)CCNC(=O)C1(C)CC=CC1 ZINC001493014959 937945874 /nfs/dbraw/zinc/94/58/74/937945874.db2.gz NQFAFTYFKNMPJX-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)CC(C)(C)C)C1 ZINC001493264310 937949063 /nfs/dbraw/zinc/94/90/63/937949063.db2.gz PCZALPUDGKKMRC-AWEZNQCLSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C1CCC(C(=O)NCC[N@H+](CCC)CC[C@H](C)F)CC1 ZINC001493313068 937949860 /nfs/dbraw/zinc/94/98/60/937949860.db2.gz AZNMTLWGPWBSNG-HNNXBMFYSA-N 1 1 298.446 3.309 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)C2CCCCC2)C1 ZINC001493939642 937952202 /nfs/dbraw/zinc/95/22/02/937952202.db2.gz UOLYDQYNATUVDL-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)CC(C)=C(C)C)C1 ZINC001493963433 937952591 /nfs/dbraw/zinc/95/25/91/937952591.db2.gz XCEPZWJFGJRYMG-QGZVFWFLSA-N 1 1 290.451 3.069 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001493958655 937952599 /nfs/dbraw/zinc/95/25/99/937952599.db2.gz BBRBXMNBNOWZHD-IXDOHACOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C/C(C)=C\CC(=O)NCC[C@@H]1CC[N@@H+](CC(=C)Cl)C1 ZINC001494047372 937953133 /nfs/dbraw/zinc/95/31/33/937953133.db2.gz FPURXSXHKAMFRB-KSKAUBAUSA-N 1 1 296.842 3.090 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001494135256 937953526 /nfs/dbraw/zinc/95/35/26/937953526.db2.gz OFSCRBHOIITOOO-HRCADAONSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H](C[N@H+](C)CCC(C)C)C1 ZINC001494136717 937953609 /nfs/dbraw/zinc/95/36/09/937953609.db2.gz GMRSJYLSCHONFM-MRXNPFEDSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)C2CCCC2)C1 ZINC001494146929 937953620 /nfs/dbraw/zinc/95/36/20/937953620.db2.gz YAZPVLIXHXPLJQ-OAHLLOKOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001494292944 937953845 /nfs/dbraw/zinc/95/38/45/937953845.db2.gz ATLIUZRNANLBMK-CVEARBPZSA-N 1 1 290.451 3.114 20 30 CGEDMO C#CC[N@H+](C)CC1CCN(C(=O)[C@@](C)(CC)CCC)CC1 ZINC001494210086 937954012 /nfs/dbraw/zinc/95/40/12/937954012.db2.gz QKOPPAMBCDWTTK-SFHVURJKSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCC[N@H+](C)CC1CCN(C(=O)[C@H]2C[C@H]2C(C)C)CC1 ZINC001494211003 937954062 /nfs/dbraw/zinc/95/40/62/937954062.db2.gz ZMKUAERVXGWZKV-IRXDYDNUSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)CC2(C)CCCCC2)C1 ZINC001494837045 937956496 /nfs/dbraw/zinc/95/64/96/937956496.db2.gz QLNNYSJEFFSSIG-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001494850934 937956499 /nfs/dbraw/zinc/95/64/99/937956499.db2.gz NMYRORKMHYJZRV-HOTGVXAUSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)C2(CC)CCCC2)C1 ZINC001494857165 937956507 /nfs/dbraw/zinc/95/65/07/937956507.db2.gz SESDBKFXCFTJSO-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C#CCCCCC(=O)N(C)[C@H]1CC[N@H+](CC(CC)CC)C1 ZINC001494822410 937956557 /nfs/dbraw/zinc/95/65/57/937956557.db2.gz PQGDDHPDYDQUCS-KRWDZBQOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)CCCC2CC2)C1 ZINC001494911200 937957210 /nfs/dbraw/zinc/95/72/10/937957210.db2.gz RXXGLUWXBLIWMY-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)C[C@H](C)CCCCC)C1 ZINC001494912113 937957300 /nfs/dbraw/zinc/95/73/00/937957300.db2.gz DOXUHZNNWCATBR-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC[N@@H+](C)CCC1CCN(C(=O)c2ccsc2)CC1 ZINC001496495968 937962719 /nfs/dbraw/zinc/96/27/19/937962719.db2.gz WCADFCAYSKZFCQ-UHFFFAOYSA-N 1 1 292.448 3.108 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)[C@H]1CCC=CCCC1 ZINC001496726566 937964037 /nfs/dbraw/zinc/96/40/37/937964037.db2.gz OWGAMIQEWLDRHH-INIZCTEOSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCCCCC[N@H+](C)CCN(C)C(=O)C(C)(C)C ZINC001496826250 937964133 /nfs/dbraw/zinc/96/41/33/937964133.db2.gz ZGSJHQUYUUFWEO-UHFFFAOYSA-N 1 1 268.445 3.169 20 30 CGEDMO C=CCCCC(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(C)cc1 ZINC001498370074 937969109 /nfs/dbraw/zinc/96/91/09/937969109.db2.gz UNRLQVVIYPELCN-MRXNPFEDSA-N 1 1 288.435 3.288 20 30 CGEDMO C=CC[N@H+](CCNC(=O)[C@@H](C)SC)C1CCCCCC1 ZINC001499518095 937973772 /nfs/dbraw/zinc/97/37/72/937973772.db2.gz VLCJZSNKUQNFHX-CQSZACIVSA-N 1 1 298.496 3.065 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](C)C2CCCC2)C1 ZINC001500547503 937978088 /nfs/dbraw/zinc/97/80/88/937978088.db2.gz WUDJTCDWJMXKGM-QAPCUYQASA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)CCC ZINC001501396106 937979448 /nfs/dbraw/zinc/97/94/48/937979448.db2.gz SRRAUBNRXXBTJO-CVEARBPZSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC1(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CC)CCCC1 ZINC001501407898 937979463 /nfs/dbraw/zinc/97/94/63/937979463.db2.gz KRYWGZMCWBUCFS-JKSUJKDBSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC(C)C ZINC001501396186 937979547 /nfs/dbraw/zinc/97/95/47/937979547.db2.gz TVAXMTIMYGPIML-BRWVUGGUSA-N 1 1 292.467 3.310 20 30 CGEDMO C#CCC[N@H+](C)Cc1ccccc1CNC(=O)/C(C)=C/CC ZINC001501660926 937980086 /nfs/dbraw/zinc/98/00/86/937980086.db2.gz FOGHBLGGTZSYHH-MHWRWJLKSA-N 1 1 298.430 3.114 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N(C)CCC[N@@H+](C)CC1CCC1 ZINC001502371494 937982318 /nfs/dbraw/zinc/98/23/18/937982318.db2.gz NPGSWXVBPHRPDY-KRWDZBQOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[N@H+](C)CCCN(C)C(=O)c1cccc2ccccc21 ZINC001502394820 937982398 /nfs/dbraw/zinc/98/23/98/937982398.db2.gz AXMLJNCQGREKNC-UHFFFAOYSA-N 1 1 296.414 3.420 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@]1(C)CC=C(C)CC1 ZINC001502399067 937982410 /nfs/dbraw/zinc/98/24/10/937982410.db2.gz WPKQRUURDHTGPT-GOSISDBHSA-N 1 1 292.467 3.479 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C1 ZINC001502817984 937983326 /nfs/dbraw/zinc/98/33/26/937983326.db2.gz NOEXRLLLWVTIRO-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@H+](C[C@@H](F)CC)CC1(C)C ZINC001502829450 937983353 /nfs/dbraw/zinc/98/33/53/937983353.db2.gz VGQIECSLOUBURX-GJZGRUSLSA-N 1 1 298.446 3.308 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[N@H+](C[C@H](F)CC)CC1(C)C ZINC001502829451 937983386 /nfs/dbraw/zinc/98/33/86/937983386.db2.gz VGQIECSLOUBURX-HUUCEWRRSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)c2coc(C)c2)C[C@H]1C ZINC001502910383 937983719 /nfs/dbraw/zinc/98/37/19/937983719.db2.gz LQIZURHQJLZELV-CJNGLKHVSA-N 1 1 290.407 3.137 20 30 CGEDMO CC#CCCCC(=O)N1CCC[C@@H]1C[N@@H+](C)CC=C(C)C ZINC001505441793 937985605 /nfs/dbraw/zinc/98/56/05/937985605.db2.gz KQGWYNYWKKIWGT-QGZVFWFLSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1ccc(Cl)o1 ZINC001505869318 937987649 /nfs/dbraw/zinc/98/76/49/937987649.db2.gz RLLFBTADRYEGJM-NWDGAFQWSA-N 1 1 298.814 3.338 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)C1CCC=CCC1 ZINC001506058419 937988823 /nfs/dbraw/zinc/98/88/23/937988823.db2.gz DPDHHYCIMZGPDY-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)CCC(=C)C ZINC001506562287 937990697 /nfs/dbraw/zinc/99/06/97/937990697.db2.gz KQEGUPOUIPSXFB-INIZCTEOSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCCCC[N@H+]1CCC1CC1 ZINC001506566210 937990731 /nfs/dbraw/zinc/99/07/31/937990731.db2.gz VYMNCBQYWQNFKY-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C#CC[N@H+](C)C1CCN(C(=O)CCCC[C@H](C)CC)CC1 ZINC001506958585 937993384 /nfs/dbraw/zinc/99/33/84/937993384.db2.gz IQBDMHJNTJCNSI-MRXNPFEDSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)CCC(C)C)CCC[C@H]12 ZINC001507336299 937995172 /nfs/dbraw/zinc/99/51/72/937995172.db2.gz RCLMQPWVJOSKHU-DOTOQJQBSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)C[C@H](C)C3CC3)CCC[C@@H]12 ZINC001507354319 937995277 /nfs/dbraw/zinc/99/52/77/937995277.db2.gz GELRTZDSQJJFHB-YXJHDRRASA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)C[C@H]2C=CCCC2)CC1 ZINC001508208997 937998626 /nfs/dbraw/zinc/99/86/26/937998626.db2.gz NRKBKGKUKGYBFC-INIZCTEOSA-N 1 1 288.435 3.057 20 30 CGEDMO Cc1cc(C#N)nc(N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC001515623410 938006998 /nfs/dbraw/zinc/00/69/98/938006998.db2.gz HJGGJMWIWTYAMP-CABCVRRESA-N 1 1 298.434 3.327 20 30 CGEDMO CCCCCCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001557613569 938211067 /nfs/dbraw/zinc/21/10/67/938211067.db2.gz ZDLZQWTWCSHDRE-HUUCEWRRSA-N 1 1 266.429 3.090 20 30 CGEDMO CC1(C)CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC001559572181 938229853 /nfs/dbraw/zinc/22/98/53/938229853.db2.gz OVKDEVQJQJRZSB-UHFFFAOYSA-N 1 1 287.363 3.479 20 30 CGEDMO C[C@@]1(C#N)CCC[N@H+](C[C@@H]2CC3(CO2)CCCCC3)C1 ZINC001559671328 938232671 /nfs/dbraw/zinc/23/26/71/938232671.db2.gz LYBFFGBDDZYTCS-HOTGVXAUSA-N 1 1 276.424 3.351 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](C[C@@H]2CC3(CO2)CCCCC3)C1 ZINC001559671328 938232672 /nfs/dbraw/zinc/23/26/72/938232672.db2.gz LYBFFGBDDZYTCS-HOTGVXAUSA-N 1 1 276.424 3.351 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2C=C)cc1 ZINC001559799432 938236187 /nfs/dbraw/zinc/23/61/87/938236187.db2.gz YUYFVNRUZKPLRW-KRWDZBQOSA-N 1 1 282.387 3.037 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)C[C@H]1CC(C)(C)OC1(C)C ZINC001559797340 938236197 /nfs/dbraw/zinc/23/61/97/938236197.db2.gz NMCYJNAIIFKHDG-OAHLLOKOSA-N 1 1 282.472 3.020 20 30 CGEDMO C#CC[N@@H+](C)CCC(=O)Nc1ccccc1-c1ccccc1 ZINC001559808111 938236257 /nfs/dbraw/zinc/23/62/57/938236257.db2.gz BVIDENVLLDMAEK-UHFFFAOYSA-N 1 1 292.382 3.247 20 30 CGEDMO C=C(C)C[N@H+](C/C=C\C(=O)OCC)Cc1ccccc1 ZINC001559807559 938236309 /nfs/dbraw/zinc/23/63/09/938236309.db2.gz HSGVKSRUZPUJLV-FLIBITNWSA-N 1 1 273.376 3.184 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC001559810581 938236411 /nfs/dbraw/zinc/23/64/11/938236411.db2.gz QFEXRNZOCXLZSK-AWEZNQCLSA-N 1 1 272.392 3.174 20 30 CGEDMO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@](C)(c2ccccc2)CC1 ZINC001559831437 938236803 /nfs/dbraw/zinc/23/68/03/938236803.db2.gz SQSZOZBLLFCNOS-AEFFLSMTSA-N 1 1 287.403 3.158 20 30 CGEDMO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@](C)(c2ccccc2)CC1 ZINC001559831437 938236804 /nfs/dbraw/zinc/23/68/04/938236804.db2.gz SQSZOZBLLFCNOS-AEFFLSMTSA-N 1 1 287.403 3.158 20 30 CGEDMO C#C[C@H]1COCC[N@H+]1CC1CCC(C(C)(C)C)CC1 ZINC001559899989 938238592 /nfs/dbraw/zinc/23/85/92/938238592.db2.gz URBLPDHESQCNNY-GPANFISMSA-N 1 1 263.425 3.173 20 30 CGEDMO C#C[C@H]1COCC[N@@H+]1CC1CCC(C(C)(C)C)CC1 ZINC001559899989 938238593 /nfs/dbraw/zinc/23/85/93/938238593.db2.gz URBLPDHESQCNNY-GPANFISMSA-N 1 1 263.425 3.173 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc(C)c2)C1 ZINC001559983250 938240885 /nfs/dbraw/zinc/24/08/85/938240885.db2.gz LNAWIQZAWKCJNC-NVXWUHKLSA-N 1 1 259.393 3.317 20 30 CGEDMO C#CC[N@H+](C[C@@H]1CCO[C@H]1C)[C@H]1CCCc2ccccc21 ZINC001560171993 938245928 /nfs/dbraw/zinc/24/59/28/938245928.db2.gz LDBXTWLJXMDZLS-IEZWGBDMSA-N 1 1 283.415 3.424 20 30 CGEDMO Cc1cc(C[NH2+][C@H](C)CC#N)cc(C)c1OC(F)F ZINC001560575062 938263699 /nfs/dbraw/zinc/26/36/99/938263699.db2.gz YACKGRKVDFXTHZ-LLVKDONJSA-N 1 1 268.307 3.297 20 30 CGEDMO C=C(C)C[C@@H]([NH2+][C@@H](C)CCCCC)C(=O)OCC ZINC001560987314 938288069 /nfs/dbraw/zinc/28/80/69/938288069.db2.gz VKAJXBNHCPSXBS-UONOGXRCSA-N 1 1 255.402 3.443 20 30 CGEDMO C=CCC[C@H]([NH2+]C[C@@H]1CCCC[C@H]1C)C(=O)OCC ZINC001560837348 938278614 /nfs/dbraw/zinc/27/86/14/938278614.db2.gz OTJCXHKAQMKMDW-ILXRZTDVSA-N 1 1 267.413 3.300 20 30 CGEDMO C=C(C)C[C@@H]([NH2+]C[C@@H](C)C1CCCCC1)C(=O)OC ZINC001560968359 938287024 /nfs/dbraw/zinc/28/70/24/938287024.db2.gz JHPWWGZYHCWAIV-UKRRQHHQSA-N 1 1 267.413 3.300 20 30 CGEDMO C#CC[N@@H+](Cc1cc(OC)c(OC)cc1Cl)C(C)C ZINC001561032542 938290256 /nfs/dbraw/zinc/29/02/56/938290256.db2.gz HRMLOPNTAUUFTQ-UHFFFAOYSA-N 1 1 281.783 3.201 20 30 CGEDMO C#CC[N@H+](Cc1cc(OC)c(OC)cc1Cl)C(C)C ZINC001561032542 938290257 /nfs/dbraw/zinc/29/02/57/938290257.db2.gz HRMLOPNTAUUFTQ-UHFFFAOYSA-N 1 1 281.783 3.201 20 30 CGEDMO CCCCCCCC(=O)N1CCC[N@@H+](CC)C[C@@H]1C ZINC001161003534 958836146 /nfs/dbraw/zinc/83/61/46/958836146.db2.gz SHEKFVJWNVMXBO-HNNXBMFYSA-N 1 1 268.445 3.290 20 30 CGEDMO C[N@H+]1CCCC[C@@H]1c1ccc(-c2cnc(C#N)c(F)c2)nc1 ZINC001238992760 960413112 /nfs/dbraw/zinc/41/31/12/960413112.db2.gz MOOOFLOMMVCBEV-QGZVFWFLSA-N 1 1 296.349 3.311 20 30 CGEDMO CC(C)N1CCC([NH2+]C23CCC(C#N)(CC2)CC3)CC1 ZINC001257208511 960427212 /nfs/dbraw/zinc/42/72/12/960427212.db2.gz KJRGWSWLZWUUFL-UHFFFAOYSA-N 1 1 275.440 3.065 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[C@H]1CCC ZINC001317434424 960430072 /nfs/dbraw/zinc/43/00/72/960430072.db2.gz HOJRARMBRFXUOU-IXDOHACOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)[C@H]1CCCC[C@@H]1C)C(C)C ZINC001571614368 960470049 /nfs/dbraw/zinc/47/00/49/960470049.db2.gz FPODDWGZVYICDD-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[C@H](C)CC ZINC001566120001 960556375 /nfs/dbraw/zinc/55/63/75/960556375.db2.gz UJTSBFCJMXQMLG-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CCC[N@@H+](CCC3CC3)C2)CCC1 ZINC001566629162 960567272 /nfs/dbraw/zinc/56/72/72/960567272.db2.gz SWOZXCIWMZWOHY-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)C2CC(C)C2)C1 ZINC001566736427 960576322 /nfs/dbraw/zinc/57/63/22/960576322.db2.gz UCEXXSOMCWPYRG-CGZBRXJRSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCCNC(=O)[C@H](C)C(C)(C)C ZINC001566554967 960949642 /nfs/dbraw/zinc/94/96/42/960949642.db2.gz NVWRUTCLGKQNRS-HNNXBMFYSA-N 1 1 282.472 3.463 20 30 CGEDMO CC[N@@H+](CCCNC(=O)C#CC(C)C)CCC1CCCC1 ZINC001566549566 960949680 /nfs/dbraw/zinc/94/96/80/960949680.db2.gz ZFQBZPWJLUCJSW-UHFFFAOYSA-N 1 1 292.467 3.054 20 30 CGEDMO C=C1CCC(C(=O)NCCC[N@H+](C(C)C)C2CC2)CC1 ZINC001566596226 960965502 /nfs/dbraw/zinc/96/55/02/960965502.db2.gz ZQLUYRZOOWBPDV-UHFFFAOYSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)C=C2CCC2)C1 ZINC001566619287 960977975 /nfs/dbraw/zinc/97/79/75/960977975.db2.gz FIPLRGDXCCXHKM-ZBFHGGJFSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H](F)CC2CCCCC2)C1 ZINC001566678798 960988980 /nfs/dbraw/zinc/98/89/80/960988980.db2.gz FVIPJUHTFMSPQG-JKSUJKDBSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H](C[N@H+](C)CC[C@H](C)F)C1 ZINC001566741637 960995131 /nfs/dbraw/zinc/99/51/31/960995131.db2.gz HEDASHVBQSYOBM-JKSUJKDBSA-N 1 1 298.446 3.261 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCCCC ZINC001566954780 961071206 /nfs/dbraw/zinc/07/12/06/961071206.db2.gz CVVJXCGFUZSWAM-IAGOWNOFSA-N 1 1 290.451 3.045 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@@H]([N@H+](C)CC[C@H](C)F)C1 ZINC001567192458 961130246 /nfs/dbraw/zinc/13/02/46/961130246.db2.gz ADGICKPLGWFYIU-LSDHHAIUSA-N 1 1 298.446 3.260 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)C(C)(CC)CC)C1 ZINC001567202803 961140767 /nfs/dbraw/zinc/14/07/67/961140767.db2.gz LFFIZFYWNXAAKX-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@H]([N@H+](C)CC/C=C\CC)C1 ZINC001567196549 961141621 /nfs/dbraw/zinc/14/16/21/961141621.db2.gz MXOQEHGIIZGKNK-QWGSZXSUSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H]1CCCNC(=O)C=C1CCC1 ZINC001567247166 961154987 /nfs/dbraw/zinc/15/49/87/961154987.db2.gz JOTXEMVFZVEZCH-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CCCNC(=O)C1(CF)CCC1 ZINC001567260376 961156865 /nfs/dbraw/zinc/15/68/65/961156865.db2.gz NQRAQAYEQSOXRE-OAHLLOKOSA-N 1 1 296.430 3.063 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H]1CCCNC(=O)CC1CCC1 ZINC001567247705 961157051 /nfs/dbraw/zinc/15/70/51/961157051.db2.gz NXTLDHIGLHFBSZ-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@H+](C)CCNC(=O)C[C@@H](C)c1ccccc1 ZINC001567318043 961278776 /nfs/dbraw/zinc/27/87/76/961278776.db2.gz GOILXGWTEWWRIH-MRXNPFEDSA-N 1 1 288.435 3.194 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)c1cc(C)[nH]c1C ZINC001567345455 961286183 /nfs/dbraw/zinc/28/61/83/961286183.db2.gz XDASZSLNJUNNFL-AWEZNQCLSA-N 1 1 291.439 3.038 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)C1(CC)CCCC1 ZINC001567381892 961304980 /nfs/dbraw/zinc/30/49/80/961304980.db2.gz BWVRYHLLRFGUGY-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@@H+](CCNC(=O)[C@@H]1CCCC2(CC2)C1)C1CC1 ZINC001567442919 961333920 /nfs/dbraw/zinc/33/39/20/961333920.db2.gz OMERUQRCABVWPN-OAHLLOKOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(Cl)C[N@H+](CCC)CCNC(=O)c1ccccc1C ZINC001567422337 961334557 /nfs/dbraw/zinc/33/45/57/961334557.db2.gz XUAVTTUJCWMBOQ-UHFFFAOYSA-N 1 1 294.826 3.189 20 30 CGEDMO C=C(Cl)C[N@@H+](CCC)CCNC(=O)c1ccccc1C ZINC001567422337 961334572 /nfs/dbraw/zinc/33/45/72/961334572.db2.gz XUAVTTUJCWMBOQ-UHFFFAOYSA-N 1 1 294.826 3.189 20 30 CGEDMO C=C(C)CC[N@@H+](CCC)CCNC(=O)/C=C\C(C)(C)C ZINC001567423728 961337148 /nfs/dbraw/zinc/33/71/48/961337148.db2.gz XQXFIEONZXQTRU-NTMALXAHSA-N 1 1 280.456 3.383 20 30 CGEDMO C#CCC1(C(=O)NCC[N@H+](CCC)C(C)C)CCCCC1 ZINC001567435087 961337651 /nfs/dbraw/zinc/33/76/51/961337651.db2.gz BBXZNTMPMAMKLE-UHFFFAOYSA-N 1 1 292.467 3.197 20 30 CGEDMO CC#CC[N@@H+](CCNC(=O)C(C)(C)CC(C)(C)C)C1CC1 ZINC001567455785 961351744 /nfs/dbraw/zinc/35/17/44/961351744.db2.gz JQXKOURHFITPPG-UHFFFAOYSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CC[N@H+](CCCNC(=O)[C@H]1CCCC[C@H]1CC)C(C)C ZINC001567651764 961378295 /nfs/dbraw/zinc/37/82/95/961378295.db2.gz XEIFAQBJNXQQCR-SJORKVTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)CC(C)(C)C)C1 ZINC001567680076 961388735 /nfs/dbraw/zinc/38/87/35/961388735.db2.gz YQYUSLOSEWRALT-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)/C=C(/C)CC)C1 ZINC001567683736 961394321 /nfs/dbraw/zinc/39/43/21/961394321.db2.gz ZNQNHLWYRUASEE-QZFKAFNDSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)C(C)(C)C(C)C)C1 ZINC001567702139 961404931 /nfs/dbraw/zinc/40/49/31/961404931.db2.gz XZLIEOXXFNMQPH-MRXNPFEDSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)C(C)=C2CCC2)C1 ZINC001567700225 961408824 /nfs/dbraw/zinc/40/88/24/961408824.db2.gz XCHFEHRVIMJPNA-MRXNPFEDSA-N 1 1 290.451 3.281 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)C(CC)CC)C1 ZINC001567731223 961414273 /nfs/dbraw/zinc/41/42/73/961414273.db2.gz JWBBXBXICWUTTC-HZPDHXFCSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC001567722554 961418383 /nfs/dbraw/zinc/41/83/83/961418383.db2.gz NIGOLQQOHADVFR-AWEZNQCLSA-N 1 1 298.858 3.100 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)C(C)=C2CCC2)C1 ZINC001567937876 961465610 /nfs/dbraw/zinc/46/56/10/961465610.db2.gz SAXKLVJKUPLNHX-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CC(C)(C)CC(=O)N(CC)[C@H]1CC[N@@H+](CCC(=C)C)C1 ZINC001567937874 961467451 /nfs/dbraw/zinc/46/74/51/961467451.db2.gz RZOPSFPSDLSKRC-INIZCTEOSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](F)CC2CCCCC2)C1 ZINC001567924970 961468380 /nfs/dbraw/zinc/46/83/80/961468380.db2.gz IHRYTPZJPSFNFN-JKSUJKDBSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC(CC[N@H+](C)CC2CC2)CC1 ZINC001568438746 961574776 /nfs/dbraw/zinc/57/47/76/961574776.db2.gz SLKCRPBODALHTM-UHFFFAOYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCC12CC2 ZINC001568486789 961592868 /nfs/dbraw/zinc/59/28/68/961592868.db2.gz HFYIWTSJGPNDBC-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)CC3(C)CC3)CC[C@@H]21 ZINC001568514558 961603816 /nfs/dbraw/zinc/60/38/16/961603816.db2.gz ZBLPCUAFKLKCQB-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCCCCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001568787479 961642033 /nfs/dbraw/zinc/64/20/33/961642033.db2.gz IFSBSHBPYUDQNH-HOTGVXAUSA-N 1 1 278.440 3.256 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)c1ccsc1 ZINC001569138441 961698737 /nfs/dbraw/zinc/69/87/37/961698737.db2.gz UMRJORCMRUYSJV-KBPBESRZSA-N 1 1 294.464 3.254 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)[C@H](C)C(CC)CC ZINC001569124954 961699684 /nfs/dbraw/zinc/69/96/84/961699684.db2.gz PFICDIUMJDRUGX-UONOGXRCSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H](C)C[N@@H+](C)CC1CCC(C)CC1 ZINC001569133779 961700213 /nfs/dbraw/zinc/70/02/13/961700213.db2.gz WHXABCQOWMAISV-HWOWSKLDSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC1(C(=O)N[C@H](C)C[N@@H+](C)CC2CC2)CCCCC1 ZINC001569152472 961710815 /nfs/dbraw/zinc/71/08/15/961710815.db2.gz BTCNISSQHHITMN-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@@H](C)CCC=C ZINC001569458388 961765021 /nfs/dbraw/zinc/76/50/21/961765021.db2.gz NDIGMQUNHZVQOQ-YESZJQIVSA-N 1 1 290.451 3.373 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)CCCF)C2)C1 ZINC001569478787 961776290 /nfs/dbraw/zinc/77/62/90/961776290.db2.gz WLIZAEMFXHHXGP-DOTOQJQBSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)CCCC(C)C)C2)C1 ZINC001569479470 961779619 /nfs/dbraw/zinc/77/96/19/961779619.db2.gz WWUUANALRBKZED-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)CCCCC)[C@@H]2C1 ZINC001569917722 961866184 /nfs/dbraw/zinc/86/61/84/961866184.db2.gz XSODKERASGBBFM-LSDHHAIUSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)CCCCC)[C@@H]2C1 ZINC001569917722 961866192 /nfs/dbraw/zinc/86/61/92/961866192.db2.gz XSODKERASGBBFM-LSDHHAIUSA-N 1 1 298.858 3.242 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@H+](CC[C@@H](C)F)CC1 ZINC001570177387 961912397 /nfs/dbraw/zinc/91/23/97/961912397.db2.gz LAYFDZYAQFEJHQ-HUUCEWRRSA-N 1 1 298.446 3.308 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC)CC(C)C)CC1 ZINC001570185533 961920423 /nfs/dbraw/zinc/92/04/23/961920423.db2.gz NCUBHSNQQLFAQZ-IRXDYDNUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)C[C@H]1CC=CCC1 ZINC001570206597 961922933 /nfs/dbraw/zinc/92/29/33/961922933.db2.gz YCJGNBHVRMKCDO-KRWDZBQOSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CC[N@H+](C)CCCN(C)C(=O)[C@@H](C)c1ccccc1C ZINC001570218627 961933897 /nfs/dbraw/zinc/93/38/97/961933897.db2.gz YCMNCTDUARENEK-INIZCTEOSA-N 1 1 288.435 3.065 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)CCc1cccs1 ZINC001570216901 961933995 /nfs/dbraw/zinc/93/39/95/961933995.db2.gz PKZOVPYLCOPDCD-UHFFFAOYSA-N 1 1 294.464 3.037 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](CC(=C)Cl)CC1(C)C ZINC001570395835 961963135 /nfs/dbraw/zinc/96/31/35/961963135.db2.gz RHKSTIQVJWRWES-ZDUSSCGKSA-N 1 1 298.858 3.168 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC(=C)Cl)CC1(C)C ZINC001570395835 961963140 /nfs/dbraw/zinc/96/31/40/961963140.db2.gz RHKSTIQVJWRWES-ZDUSSCGKSA-N 1 1 298.858 3.168 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@@H]2C[N@H+](C)C[C@H](F)CC)C1 ZINC001570541183 961982765 /nfs/dbraw/zinc/98/27/65/961982765.db2.gz ZDXZWMBRZHBXFG-HUUCEWRRSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@H]2C[N@H+](C)C[C@H](F)CC)C1 ZINC001570541181 961988418 /nfs/dbraw/zinc/98/84/18/961988418.db2.gz ZDXZWMBRZHBXFG-CABCVRRESA-N 1 1 296.430 3.014 20 30 CGEDMO CCCCCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C)C#N ZINC001570525655 961993400 /nfs/dbraw/zinc/99/34/00/961993400.db2.gz GUNCTNGSFNUNPB-CVEARBPZSA-N 1 1 293.455 3.039 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1ccc(F)cc1 ZINC001570694303 962046192 /nfs/dbraw/zinc/04/61/92/962046192.db2.gz ZQSDNDSIBKWBLY-ZIAGYGMSSA-N 1 1 292.398 3.231 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)C1(C)CCCCCC1 ZINC001570716423 962065668 /nfs/dbraw/zinc/06/56/68/962065668.db2.gz RZUAEUSKARMIST-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)C1(CCC)CC1 ZINC001570824865 962090036 /nfs/dbraw/zinc/09/00/36/962090036.db2.gz HHWSUNUOMOFAMZ-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H](C)CC)CC1(C)C ZINC001570905192 962106423 /nfs/dbraw/zinc/10/64/23/962106423.db2.gz PDEXNHVEKHFJFO-LSDHHAIUSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC2(CN(C(=O)CC(CC)CC)C2)C1 ZINC001571048526 962116625 /nfs/dbraw/zinc/11/66/25/962116625.db2.gz DTUAXRPJBCTOGU-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@H](C)CC)C[C@@]2(C)C1 ZINC001571059579 962121563 /nfs/dbraw/zinc/12/15/63/962121563.db2.gz OOUIAFVSJAOHJU-NXHRZFHOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)/C=C\C(C)(C)C)CCC[C@H]12 ZINC001571496702 962173385 /nfs/dbraw/zinc/17/33/85/962173385.db2.gz HWJSOFKXSJJXGT-ARCJUGNJSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)CC(C)(C)C)CCC[C@@H]12 ZINC001571494574 962174022 /nfs/dbraw/zinc/17/40/22/962174022.db2.gz FSQOGJOVYRVHTI-PBHICJAKSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)[C@@H]1C[C@@H]1C(C)C)C(C)C ZINC001571615399 962186768 /nfs/dbraw/zinc/18/67/68/962186768.db2.gz QLEWMPDYQYNOJR-HZPDHXFCSA-N 1 1 280.456 3.023 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C(=O)C1CC=CC1)C(C)C ZINC001571610825 962187627 /nfs/dbraw/zinc/18/76/27/962187627.db2.gz CFFWHUQCRDMXHV-UHFFFAOYSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCC1=CC[N@@H+](C[C@H](F)CC)CC1 ZINC001571694265 962210318 /nfs/dbraw/zinc/21/03/18/962210318.db2.gz CSWWLYKVIQVZHH-NVXWUHKLSA-N 1 1 296.430 3.085 20 30 CGEDMO C=CCCCCC[N@H+]1CCOc2cc(N)ccc2C1 ZINC001574907713 962336511 /nfs/dbraw/zinc/33/65/11/962336511.db2.gz YSNMUNXNUTZOTJ-UHFFFAOYSA-N 1 1 260.381 3.210 20 30 CGEDMO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1cccc(C#N)c1 ZINC000589990876 346821096 /nfs/dbraw/zinc/82/10/96/346821096.db2.gz FYQGDVMWBPEMNL-LBPRGKRZSA-N 1 1 279.318 3.420 20 30 CGEDMO C=CC[C@H]1CC[C@H]([NH2+]C2CCN(CC(C)C)CC2)C1 ZINC000651674441 398267089 /nfs/dbraw/zinc/26/70/89/398267089.db2.gz PCGUOXIZPXSTCJ-RDJZCZTQSA-N 1 1 264.457 3.441 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](c3ccccn3)C2)c1 ZINC000590601898 346853835 /nfs/dbraw/zinc/85/38/35/346853835.db2.gz SOUATPXGUWFQAY-QGZVFWFLSA-N 1 1 277.371 3.333 20 30 CGEDMO COc1cc(C[NH2+]C[C@H](C)C#N)cc2ccccc21 ZINC000590649099 346859090 /nfs/dbraw/zinc/85/90/90/346859090.db2.gz SLAHLAATQHQZMJ-GFCCVEGCSA-N 1 1 254.333 3.098 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccncc1F ZINC000337949990 214327723 /nfs/dbraw/zinc/32/77/23/214327723.db2.gz JXUMGFXDIOUFPD-SECBINFHSA-N 1 1 261.325 3.005 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2C[C@H](C)OCC23CCC3)c1 ZINC000651975982 398314682 /nfs/dbraw/zinc/31/46/82/398314682.db2.gz SVTBTHLMENMEIJ-HNNXBMFYSA-N 1 1 287.403 3.395 20 30 CGEDMO Cc1ccc(C[N@H+](C)Cc2ccc(C#N)c(F)c2)nc1 ZINC000590754784 346871634 /nfs/dbraw/zinc/87/16/34/346871634.db2.gz LKDAHZGKVBBIOH-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO Cc1ccc(C[N@@H+](C)Cc2ccc(C#N)c(F)c2)nc1 ZINC000590754784 346871638 /nfs/dbraw/zinc/87/16/38/346871638.db2.gz LKDAHZGKVBBIOH-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000590758753 346872388 /nfs/dbraw/zinc/87/23/88/346872388.db2.gz VOOKPUBLKOGYOJ-MRXNPFEDSA-N 1 1 272.417 3.194 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@@H](C3CCC3)C2)cc1C#N ZINC000591063418 346898354 /nfs/dbraw/zinc/89/83/54/346898354.db2.gz YIMMOUMCHWWQAY-OAHLLOKOSA-N 1 1 270.376 3.189 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(Oc2ccccc2)CC1 ZINC000125823055 187201260 /nfs/dbraw/zinc/20/12/60/187201260.db2.gz TXZCDXZJYOETKK-UHFFFAOYSA-N 1 1 251.757 3.282 20 30 CGEDMO N#CC1(CC[N@@H+]2CC[C@@H](C(F)F)C2)CCCCC1 ZINC000591021378 346895128 /nfs/dbraw/zinc/89/51/28/346895128.db2.gz CSJUAYZTBLPHOT-GFCCVEGCSA-N 1 1 256.340 3.438 20 30 CGEDMO CC(C)c1cc(C[NH2+]Cc2ccc(C#N)c(F)c2)on1 ZINC000591501560 346926812 /nfs/dbraw/zinc/92/68/12/346926812.db2.gz QGMDCVBUXKBWIP-UHFFFAOYSA-N 1 1 273.311 3.099 20 30 CGEDMO N#CCC[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000591740876 346934455 /nfs/dbraw/zinc/93/44/55/346934455.db2.gz BOFXHGQCCVGPKJ-LLVKDONJSA-N 1 1 255.148 3.484 20 30 CGEDMO CCc1nc(C)c(C[NH2+][C@H]2CCc3ccc(C#N)cc32)o1 ZINC000426326758 529726087 /nfs/dbraw/zinc/72/60/87/529726087.db2.gz ZNHSTESOGCKCLN-HNNXBMFYSA-N 1 1 281.359 3.194 20 30 CGEDMO CCc1ncc(C[N@H+](CC)[C@@H](C)c2ccc(C#N)cc2)cn1 ZINC000414375214 529752848 /nfs/dbraw/zinc/75/28/48/529752848.db2.gz YCYUKLIHPUKSIK-AWEZNQCLSA-N 1 1 294.402 3.494 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@@H](CCO)c1ccccc1 ZINC000126896502 187268955 /nfs/dbraw/zinc/26/89/55/187268955.db2.gz VNLDASYFLSEYPS-INIZCTEOSA-N 1 1 286.400 3.175 20 30 CGEDMO C=CC[N@@H+](CCC[C@H]1CCOC1)Cc1cccc(C#N)c1 ZINC000592065364 346959315 /nfs/dbraw/zinc/95/93/15/346959315.db2.gz SWYRPNOMBZIQHT-INIZCTEOSA-N 1 1 284.403 3.363 20 30 CGEDMO N#Cc1cnccc1C[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000592069729 346959403 /nfs/dbraw/zinc/95/94/03/346959403.db2.gz REOYYNDLJFBNAD-OAHLLOKOSA-N 1 1 295.361 3.157 20 30 CGEDMO CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccncc1C#N ZINC000592072049 346960365 /nfs/dbraw/zinc/96/03/65/346960365.db2.gz GXWJIWPNRKBWIT-GOSISDBHSA-N 1 1 279.387 3.406 20 30 CGEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccncc2C#N)C1 ZINC000592070062 346960805 /nfs/dbraw/zinc/96/08/05/346960805.db2.gz DLTWFKJYAVIWDA-HUUCEWRRSA-N 1 1 275.421 3.059 20 30 CGEDMO N#CC[C@]1(O)CC[N@@H+](Cc2ccc(-c3ccsc3)cc2)C1 ZINC000592154889 346967558 /nfs/dbraw/zinc/96/75/58/346967558.db2.gz VLTSVHNXWPRGAB-KRWDZBQOSA-N 1 1 298.411 3.266 20 30 CGEDMO CC(C)c1ccc([C@H](C)[N@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592151320 346967868 /nfs/dbraw/zinc/96/78/68/346967868.db2.gz LNVKWHYBJNVZIM-WMLDXEAASA-N 1 1 272.392 3.221 20 30 CGEDMO Cc1cccc([C@@H](C)[NH2+]Cc2ccncc2C#N)c1C ZINC000592105288 346963773 /nfs/dbraw/zinc/96/37/73/346963773.db2.gz RRVMXUYUGCZZLS-CQSZACIVSA-N 1 1 265.360 3.421 20 30 CGEDMO C=C(C)[C@H](CO)S[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000592354519 346978131 /nfs/dbraw/zinc/97/81/31/346978131.db2.gz JSSDZUYTPQHOOC-SJORKVTESA-N 1 1 291.460 3.321 20 30 CGEDMO Cc1cc(C[N@@H+]2C[C@@H](C)OC3(CCCC3)C2)ccc1C#N ZINC000592192033 346970379 /nfs/dbraw/zinc/97/03/79/346970379.db2.gz FXCFJUSLYNINEL-OAHLLOKOSA-N 1 1 284.403 3.400 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2cc(C#N)cs2)CC2(CCCC2)O1 ZINC000592531386 346997235 /nfs/dbraw/zinc/99/72/35/346997235.db2.gz KGNUJNBDDMDNCE-GFCCVEGCSA-N 1 1 276.405 3.153 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)CC2(CCCC2)O1 ZINC000592531386 346997236 /nfs/dbraw/zinc/99/72/36/346997236.db2.gz KGNUJNBDDMDNCE-GFCCVEGCSA-N 1 1 276.405 3.153 20 30 CGEDMO CN(CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(F)cc1C#N ZINC000173947156 529929992 /nfs/dbraw/zinc/92/99/92/529929992.db2.gz QELFIIUYOWHVGN-KRWDZBQOSA-N 1 1 289.398 3.004 20 30 CGEDMO CC[C@H](OCC[N@H+](C)[C@@H](C)CC#N)c1ccccc1 ZINC000593015096 347027798 /nfs/dbraw/zinc/02/77/98/347027798.db2.gz MQADVUOYVIPXEH-HOCLYGCPSA-N 1 1 260.381 3.388 20 30 CGEDMO CC[C@H](OCC[N@@H+](C)[C@@H](C)CC#N)c1ccccc1 ZINC000593015096 347027800 /nfs/dbraw/zinc/02/78/00/347027800.db2.gz MQADVUOYVIPXEH-HOCLYGCPSA-N 1 1 260.381 3.388 20 30 CGEDMO N#Cc1ccccc1C[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000593054422 347033937 /nfs/dbraw/zinc/03/39/37/347033937.db2.gz HXWYYCKOCRQTNI-UHFFFAOYSA-N 1 1 298.283 3.425 20 30 CGEDMO C[N@@H+](CCCC#N)Cc1ccccc1N1CCCC1 ZINC000053144015 260213310 /nfs/dbraw/zinc/21/33/10/260213310.db2.gz NWNGSVBUVSIPCS-UHFFFAOYSA-N 1 1 257.381 3.022 20 30 CGEDMO C[C@@H]([N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1)C(C)(C)C ZINC000042763924 344988054 /nfs/dbraw/zinc/98/80/54/344988054.db2.gz OYGRVQAMZGIYNL-CYBMUJFWSA-N 1 1 287.407 3.253 20 30 CGEDMO C=CC[N@@H+](CCC(=O)N1CCCCC1)Cc1cccs1 ZINC000046503120 345039990 /nfs/dbraw/zinc/03/99/90/345039990.db2.gz PYMCUMJPTBGTHH-UHFFFAOYSA-N 1 1 292.448 3.139 20 30 CGEDMO COc1ccc([C@@H]2CCC[N@H+]2CCCC#N)c(OC)c1 ZINC000050274303 345079646 /nfs/dbraw/zinc/07/96/46/345079646.db2.gz LBHXDCAFDUMSHO-HNNXBMFYSA-N 1 1 274.364 3.144 20 30 CGEDMO CC(C)Oc1ncccc1C[NH2+]Cc1cccc(C#N)c1 ZINC000047720733 345055596 /nfs/dbraw/zinc/05/55/96/345055596.db2.gz QYEPHDABDAFGDR-UHFFFAOYSA-N 1 1 281.359 3.030 20 30 CGEDMO Cc1cccc(OCC[N@H+](C)Cc2cccc(C#N)c2)c1 ZINC000053420962 345120173 /nfs/dbraw/zinc/12/01/73/345120173.db2.gz PANQWCOJXCXXSV-UHFFFAOYSA-N 1 1 280.371 3.378 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000053422585 345121119 /nfs/dbraw/zinc/12/11/19/345121119.db2.gz ZPFOARIGCFYWFS-AWEZNQCLSA-N 1 1 292.398 3.243 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000053422585 345121120 /nfs/dbraw/zinc/12/11/20/345121120.db2.gz ZPFOARIGCFYWFS-AWEZNQCLSA-N 1 1 292.398 3.243 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1nc(-c2cccs2)no1 ZINC000061758724 345233184 /nfs/dbraw/zinc/23/31/84/345233184.db2.gz UWBJUADSSFNNDP-UHFFFAOYSA-N 1 1 263.366 3.196 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1nc(-c2cccs2)no1 ZINC000061758724 345233188 /nfs/dbraw/zinc/23/31/88/345233188.db2.gz UWBJUADSSFNNDP-UHFFFAOYSA-N 1 1 263.366 3.196 20 30 CGEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ncccc2C#N)C1 ZINC000064915970 345266548 /nfs/dbraw/zinc/26/65/48/345266548.db2.gz XAVPLHUWTMQWOX-WMLDXEAASA-N 1 1 292.386 3.201 20 30 CGEDMO CC[N@@H+](CCCOc1ccccc1C)C[C@@H](C)C#N ZINC000067387491 345321228 /nfs/dbraw/zinc/32/12/28/345321228.db2.gz RJVNWANFGSUYEP-AWEZNQCLSA-N 1 1 260.381 3.246 20 30 CGEDMO C[N@H+](Cc1ccc(Cl)cc1)Cc1ccnc(C#N)c1 ZINC000068765960 345361631 /nfs/dbraw/zinc/36/16/31/345361631.db2.gz PMVJGSHTERAZKO-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO C[N@@H+](Cc1ccc(Cl)cc1)Cc1ccnc(C#N)c1 ZINC000068765960 345361632 /nfs/dbraw/zinc/36/16/32/345361632.db2.gz PMVJGSHTERAZKO-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO C[C@@H](c1ccccc1F)[N@H+](C)Cc1ccnc(C#N)c1 ZINC000068766727 345362285 /nfs/dbraw/zinc/36/22/85/345362285.db2.gz ZQDFXFPBWGRNIS-LBPRGKRZSA-N 1 1 269.323 3.285 20 30 CGEDMO C[C@@H](c1ccccc1F)[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000068766727 345362289 /nfs/dbraw/zinc/36/22/89/345362289.db2.gz ZQDFXFPBWGRNIS-LBPRGKRZSA-N 1 1 269.323 3.285 20 30 CGEDMO CC[N@@H+](Cc1ccc(SC)c(OC)c1)C[C@@H](C)C#N ZINC000068812849 345365093 /nfs/dbraw/zinc/36/50/93/345365093.db2.gz QOWDIRDYIGXSJJ-LBPRGKRZSA-N 1 1 278.421 3.399 20 30 CGEDMO CC[N@H+](Cc1ccc(SC)c(OC)c1)C[C@@H](C)C#N ZINC000068812849 345365095 /nfs/dbraw/zinc/36/50/95/345365095.db2.gz QOWDIRDYIGXSJJ-LBPRGKRZSA-N 1 1 278.421 3.399 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ccc(C#N)cn2)C1 ZINC000072945133 345423999 /nfs/dbraw/zinc/42/39/99/345423999.db2.gz XBOOWKSDVGUOQC-WBVHZDCISA-N 1 1 298.434 3.044 20 30 CGEDMO C[C@@H](C[N@@H+](C)CCCSCC#N)c1ccccc1 ZINC000074990118 345489922 /nfs/dbraw/zinc/48/99/22/345489922.db2.gz SIAGFUATUBTHNT-AWEZNQCLSA-N 1 1 262.422 3.369 20 30 CGEDMO C[N@H+](Cc1ccc(F)cc1C#N)[C@@H](CCO)c1ccccc1 ZINC000075897437 345527385 /nfs/dbraw/zinc/52/73/85/345527385.db2.gz ZSEURAYQTWCKNI-SFHVURJKSA-N 1 1 298.361 3.253 20 30 CGEDMO C[N@@H+](Cc1ccc(F)cc1C#N)[C@@H](CCO)c1ccccc1 ZINC000075897437 345527388 /nfs/dbraw/zinc/52/73/88/345527388.db2.gz ZSEURAYQTWCKNI-SFHVURJKSA-N 1 1 298.361 3.253 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000075674338 345518325 /nfs/dbraw/zinc/51/83/25/345518325.db2.gz DCKAWBZFBJEDGU-ZDUSSCGKSA-N 1 1 296.374 3.230 20 30 CGEDMO CC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@H](C)C(C)C ZINC000075673598 345518370 /nfs/dbraw/zinc/51/83/70/345518370.db2.gz OVNBOHTYQDXKCZ-CYBMUJFWSA-N 1 1 298.390 3.475 20 30 CGEDMO C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)CC(C)(C)C ZINC000075685034 345518715 /nfs/dbraw/zinc/51/87/15/345518715.db2.gz YVCBENTVBFRWHP-UHFFFAOYSA-N 1 1 284.363 3.086 20 30 CGEDMO N#CCSCCC[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000080632750 345680934 /nfs/dbraw/zinc/68/09/34/345680934.db2.gz AKSCJRGDSLDURF-MRXNPFEDSA-N 1 1 292.423 3.479 20 30 CGEDMO C=CCCC[C@H](C)[NH+]1CCN(C2CCCC2)CC1 ZINC000091508275 345817330 /nfs/dbraw/zinc/81/73/30/345817330.db2.gz FJBWAAMKNLUVJB-HNNXBMFYSA-N 1 1 250.430 3.291 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+](CC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000091537189 345817722 /nfs/dbraw/zinc/81/77/22/345817722.db2.gz DFJJOUZTPSVQCX-AWEZNQCLSA-N 1 1 299.418 3.490 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)c1ccc(C(=O)OC)o1 ZINC000091536466 345817733 /nfs/dbraw/zinc/81/77/33/345817733.db2.gz UNMJMSMKKGVMOF-LLVKDONJSA-N 1 1 251.326 3.025 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@H](C(=O)OCC)C1 ZINC000091593387 345818843 /nfs/dbraw/zinc/81/88/43/345818843.db2.gz KPVASOFJUSTHIK-KGLIPLIRSA-N 1 1 253.386 3.006 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c(Cl)c1 ZINC000162926604 232255007 /nfs/dbraw/zinc/25/50/07/232255007.db2.gz JRVZQCPVJCELNE-BETUJISGSA-N 1 1 260.768 3.444 20 30 CGEDMO C=CC[N@@H+](Cc1cnc(N(C)C)s1)Cc1ccccc1 ZINC000092261533 345833898 /nfs/dbraw/zinc/83/38/98/345833898.db2.gz OLDDURMIVJRQJJ-UHFFFAOYSA-N 1 1 287.432 3.397 20 30 CGEDMO C=CC[N@H+](Cc1cnc(N(C)C)s1)Cc1ccccc1 ZINC000092261533 345833900 /nfs/dbraw/zinc/83/39/00/345833900.db2.gz OLDDURMIVJRQJJ-UHFFFAOYSA-N 1 1 287.432 3.397 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2cnccc2C#N)C1 ZINC000094136981 345896288 /nfs/dbraw/zinc/89/62/88/345896288.db2.gz FULDRZZMFOVWDD-GASCZTMLSA-N 1 1 286.423 3.123 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)C[C@H]1C ZINC000093503485 345881696 /nfs/dbraw/zinc/88/16/96/345881696.db2.gz PRYZPFBYWDEOME-GASCZTMLSA-N 1 1 272.392 3.457 20 30 CGEDMO Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000135692209 346088371 /nfs/dbraw/zinc/08/83/71/346088371.db2.gz SJUXGPUCXVHMDN-QMMMGPOBSA-N 1 1 261.350 3.075 20 30 CGEDMO C=CC[N@@H+](CCOC[C@@H]1CCCO1)Cc1ccccc1F ZINC000152182691 346140347 /nfs/dbraw/zinc/14/03/47/346140347.db2.gz BNQWHKKAJQNGFT-INIZCTEOSA-N 1 1 293.382 3.009 20 30 CGEDMO C=CC[N@H+](CCOC[C@@H]1CCCO1)Cc1ccccc1F ZINC000152182691 346140349 /nfs/dbraw/zinc/14/03/49/346140349.db2.gz BNQWHKKAJQNGFT-INIZCTEOSA-N 1 1 293.382 3.009 20 30 CGEDMO CC(C)(C)c1ccc(-c2csc(NC(N)=[NH2+])n2)cc1 ZINC000145220714 346119448 /nfs/dbraw/zinc/11/94/48/346119448.db2.gz FFRFUKHAHYFSTQ-UHFFFAOYSA-N 1 1 274.393 3.013 20 30 CGEDMO C=CCCCCC[N@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000150887306 346134656 /nfs/dbraw/zinc/13/46/56/346134656.db2.gz RAHRLYMCDKYVNQ-UHFFFAOYSA-N 1 1 291.439 3.007 20 30 CGEDMO Cc1cnc([C@H](C)[NH2+]Cc2ccc(C#N)cc2C)s1 ZINC000165379077 346184195 /nfs/dbraw/zinc/18/41/95/346184195.db2.gz XRUFNSXDNBUSCP-LBPRGKRZSA-N 1 1 271.389 3.482 20 30 CGEDMO C=CC[N@H+](Cc1cc(C)ncn1)CC1CCCCC1 ZINC000292328181 346427738 /nfs/dbraw/zinc/42/77/38/346427738.db2.gz BXCAQCMUWMVYOQ-UHFFFAOYSA-N 1 1 259.397 3.353 20 30 CGEDMO CCN1CCC[N@@H+](CCCCC(C)(C)C#N)[C@H](C)C1 ZINC000320036046 346487864 /nfs/dbraw/zinc/48/78/64/346487864.db2.gz CCQBRLFUHXFDIS-OAHLLOKOSA-N 1 1 265.445 3.123 20 30 CGEDMO CC[N@@H+]1CCCN(CCCCC(C)(C)C#N)[C@H](C)C1 ZINC000320036046 346487867 /nfs/dbraw/zinc/48/78/67/346487867.db2.gz CCQBRLFUHXFDIS-OAHLLOKOSA-N 1 1 265.445 3.123 20 30 CGEDMO CC[N@H+]1CCCN(CCCCC(C)(C)C#N)[C@H](C)C1 ZINC000320036046 346487870 /nfs/dbraw/zinc/48/78/70/346487870.db2.gz CCQBRLFUHXFDIS-OAHLLOKOSA-N 1 1 265.445 3.123 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)o2)CCc2ccccc21 ZINC000593678210 347102892 /nfs/dbraw/zinc/10/28/92/347102892.db2.gz BFPLDOMGGVTHHK-ZDUSSCGKSA-N 1 1 266.344 3.313 20 30 CGEDMO COc1ccc(C)cc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000397567664 346582696 /nfs/dbraw/zinc/58/26/96/346582696.db2.gz BLNALDREARFVNP-AWEZNQCLSA-N 1 1 258.365 3.129 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000397851743 346585260 /nfs/dbraw/zinc/58/52/60/346585260.db2.gz RVKPUGXWWQUANQ-CQSZACIVSA-N 1 1 265.360 3.360 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000397875063 346585893 /nfs/dbraw/zinc/58/58/93/346585893.db2.gz YOQSKXDZEOSQGF-LBPRGKRZSA-N 1 1 271.389 3.422 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000397875063 346585897 /nfs/dbraw/zinc/58/58/97/346585897.db2.gz YOQSKXDZEOSQGF-LBPRGKRZSA-N 1 1 271.389 3.422 20 30 CGEDMO N#Cc1cccc2c1C[N@H+](CCc1ccc3c(c1)CCO3)C2 ZINC000405107789 346602635 /nfs/dbraw/zinc/60/26/35/346602635.db2.gz ZQELMEHAXBSDAK-UHFFFAOYSA-N 1 1 290.366 3.051 20 30 CGEDMO N#Cc1cccc2c1C[N@@H+](CCc1ccc3c(c1)CCO3)C2 ZINC000405107789 346602639 /nfs/dbraw/zinc/60/26/39/346602639.db2.gz ZQELMEHAXBSDAK-UHFFFAOYSA-N 1 1 290.366 3.051 20 30 CGEDMO COC[C@H](C)C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000525874642 346641664 /nfs/dbraw/zinc/64/16/64/346641664.db2.gz OKWNBIRNKLPXDJ-PVAVHDDUSA-N 1 1 272.392 3.041 20 30 CGEDMO C[C@H](CC#N)[N@H+](C)CCCc1c(F)cccc1F ZINC000593962793 347124554 /nfs/dbraw/zinc/12/45/54/347124554.db2.gz YRKMLCGDIAJYTL-LLVKDONJSA-N 1 1 252.308 3.131 20 30 CGEDMO C[C@H](CC#N)[N@@H+](C)CCCc1c(F)cccc1F ZINC000593962793 347124556 /nfs/dbraw/zinc/12/45/56/347124556.db2.gz YRKMLCGDIAJYTL-LLVKDONJSA-N 1 1 252.308 3.131 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000593987458 347131115 /nfs/dbraw/zinc/13/11/15/347131115.db2.gz QHDLBSJTTIBJHS-SFHVURJKSA-N 1 1 277.371 3.251 20 30 CGEDMO C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594606538 347201767 /nfs/dbraw/zinc/20/17/67/347201767.db2.gz IPBATKNSIYBFQP-QAPCUYQASA-N 1 1 299.462 3.260 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@@H](OC3CCC3)C2)c1 ZINC000594610736 347202732 /nfs/dbraw/zinc/20/27/32/347202732.db2.gz CAXXPHASEYNKBX-CQSZACIVSA-N 1 1 276.405 3.153 20 30 CGEDMO CCC(C)(C)N1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000594612821 347204187 /nfs/dbraw/zinc/20/41/87/347204187.db2.gz MCAVICVHMMXOFE-UHFFFAOYSA-N 1 1 265.445 3.123 20 30 CGEDMO C[C@@H]1C[C@@H](NC2(c3ccc(C#N)cc3)CCC2)CC[N@@H+]1C ZINC000594514729 347184568 /nfs/dbraw/zinc/18/45/68/347184568.db2.gz LCMOTHRWPMEIHR-PBHICJAKSA-N 1 1 283.419 3.010 20 30 CGEDMO C[C@@H]1C[C@@H](NC2(c3ccc(C#N)cc3)CCC2)CC[N@H+]1C ZINC000594514729 347184569 /nfs/dbraw/zinc/18/45/69/347184569.db2.gz LCMOTHRWPMEIHR-PBHICJAKSA-N 1 1 283.419 3.010 20 30 CGEDMO Cc1cc([C@@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)nn1C ZINC000594518273 347187278 /nfs/dbraw/zinc/18/72/78/347187278.db2.gz NYBQJIQMPZWCPX-CQSZACIVSA-N 1 1 294.402 3.330 20 30 CGEDMO C[C@@H]1Cc2[nH+]cn(CCc3ccc(C#N)cc3)c2C[C@@H]1C ZINC000594900222 347225288 /nfs/dbraw/zinc/22/52/88/347225288.db2.gz QQXIICRUQAYZIF-KGLIPLIRSA-N 1 1 279.387 3.368 20 30 CGEDMO CC(C)n1ccnc1C[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000594939174 347235872 /nfs/dbraw/zinc/23/58/72/347235872.db2.gz QJRQAHAQCGMZPV-INIZCTEOSA-N 1 1 280.375 3.113 20 30 CGEDMO CCc1nc(C)c(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)o1 ZINC000594943911 347236880 /nfs/dbraw/zinc/23/68/80/347236880.db2.gz MAOVIBACNDAWKJ-UHFFFAOYSA-N 1 1 295.386 3.390 20 30 CGEDMO CCC[N@@H+]1CCC[C@H]1CNCc1ccc(C2(C#N)CC2)cc1 ZINC000594953952 347240030 /nfs/dbraw/zinc/24/00/30/347240030.db2.gz KIEMDSIOPNTNNM-SFHVURJKSA-N 1 1 297.446 3.206 20 30 CGEDMO CCC[N@H+]1CCC[C@H]1CNCc1ccc(C2(C#N)CC2)cc1 ZINC000594953952 347240036 /nfs/dbraw/zinc/24/00/36/347240036.db2.gz KIEMDSIOPNTNNM-SFHVURJKSA-N 1 1 297.446 3.206 20 30 CGEDMO CC(C)([NH2+]Cc1cc2n(n1)CCCC2)c1cccc(C#N)c1 ZINC000594969332 347245387 /nfs/dbraw/zinc/24/53/87/347245387.db2.gz PJOVTTGJMGUPKL-UHFFFAOYSA-N 1 1 294.402 3.116 20 30 CGEDMO N#Cc1cccc(CN[C@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000594978216 347246768 /nfs/dbraw/zinc/24/67/68/347246768.db2.gz RDFHBBMYLFJOCZ-KRWDZBQOSA-N 1 1 283.419 3.055 20 30 CGEDMO N#Cc1cccc(C[NH2+][C@H]2CCN(C3CCCCC3)C2)c1 ZINC000594978216 347246771 /nfs/dbraw/zinc/24/67/71/347246771.db2.gz RDFHBBMYLFJOCZ-KRWDZBQOSA-N 1 1 283.419 3.055 20 30 CGEDMO CC(C)[N@@H+](C)CC1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000595311781 347290087 /nfs/dbraw/zinc/29/00/87/347290087.db2.gz YDOVELZLWWYZQR-SFHVURJKSA-N 1 1 285.435 3.303 20 30 CGEDMO CCCO[C@H]1CCC[N@@H+](CCc2ccc(C#N)cc2)CC1 ZINC000595313138 347291424 /nfs/dbraw/zinc/29/14/24/347291424.db2.gz SLQNXSZVAFLTAM-SFHVURJKSA-N 1 1 286.419 3.382 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000595345687 347294697 /nfs/dbraw/zinc/29/46/97/347294697.db2.gz PFGBNMLJASGBGR-SFHVURJKSA-N 1 1 277.371 3.333 20 30 CGEDMO C[C@H]([NH2+]Cc1cc(C2CC2)no1)c1ccc(C#N)cc1 ZINC000595413188 347299384 /nfs/dbraw/zinc/29/93/84/347299384.db2.gz QWYXFDJDQWZBDS-NSHDSACASA-N 1 1 267.332 3.274 20 30 CGEDMO CC(C)(C)[N@@H+]1CC[C@@H](N[C@H]2CCc3ccc(C#N)cc32)C1 ZINC000595057486 347272497 /nfs/dbraw/zinc/27/24/97/347272497.db2.gz XQVYLERWAMOZTO-WBVHZDCISA-N 1 1 283.419 3.008 20 30 CGEDMO CC(C)(C)[N@H+]1CC[C@@H](N[C@H]2CCc3ccc(C#N)cc32)C1 ZINC000595057486 347272499 /nfs/dbraw/zinc/27/24/99/347272499.db2.gz XQVYLERWAMOZTO-WBVHZDCISA-N 1 1 283.419 3.008 20 30 CGEDMO C=CCCSCC[NH2+][C@H](c1ncc[nH]1)c1ccccc1 ZINC000595059366 347273790 /nfs/dbraw/zinc/27/37/90/347273790.db2.gz MZQWYRRXORCQBH-HNNXBMFYSA-N 1 1 287.432 3.398 20 30 CGEDMO Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](CC#N)C2)c1C ZINC000595609459 347326347 /nfs/dbraw/zinc/32/63/47/347326347.db2.gz KFJKXTOIZLOBJX-HZPDHXFCSA-N 1 1 299.418 3.256 20 30 CGEDMO Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](CC#N)C2)c1C ZINC000595609459 347326349 /nfs/dbraw/zinc/32/63/49/347326349.db2.gz KFJKXTOIZLOBJX-HZPDHXFCSA-N 1 1 299.418 3.256 20 30 CGEDMO Cc1ccccc1OCCC[N@H+]1CCC[C@H](CC#N)C1 ZINC000595615815 347327367 /nfs/dbraw/zinc/32/73/67/347327367.db2.gz UGUFYUTZQVTNJT-MRXNPFEDSA-N 1 1 272.392 3.390 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000595621457 347328529 /nfs/dbraw/zinc/32/85/29/347328529.db2.gz VECNLMKTBKGYSY-HNNXBMFYSA-N 1 1 292.386 3.269 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000595660426 347334665 /nfs/dbraw/zinc/33/46/65/347334665.db2.gz QTGNUYCZIOAWAS-HNNXBMFYSA-N 1 1 297.402 3.175 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCCCC(C)(C)C#N)[C@H]1CCO ZINC000595703552 347343160 /nfs/dbraw/zinc/34/31/60/347343160.db2.gz UFGXJVZBHKUPPB-CABCVRRESA-N 1 1 266.429 3.189 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](CCF)C2)c1 ZINC000595755681 347351541 /nfs/dbraw/zinc/35/15/41/347351541.db2.gz OIYXWDDGHZYMRF-GFCCVEGCSA-N 1 1 264.319 3.269 20 30 CGEDMO COc1cccc(SCC[N@@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000595426207 347301809 /nfs/dbraw/zinc/30/18/09/347301809.db2.gz OUFZFWYGHFENRK-MRXNPFEDSA-N 1 1 290.432 3.413 20 30 CGEDMO COc1cccc(SCC[N@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000595426207 347301810 /nfs/dbraw/zinc/30/18/10/347301810.db2.gz OUFZFWYGHFENRK-MRXNPFEDSA-N 1 1 290.432 3.413 20 30 CGEDMO C[C@H]1COC2(CCCC2)C[N@H+]1CCc1ccc(C#N)cc1 ZINC000595809519 347357253 /nfs/dbraw/zinc/35/72/53/347357253.db2.gz SIRPTPMVWVXGQB-HNNXBMFYSA-N 1 1 284.403 3.134 20 30 CGEDMO CO[C@@H](C[N@@H+](C)[C@H](C)c1cccc(C#N)c1)C1CCC1 ZINC000595548615 347318105 /nfs/dbraw/zinc/31/81/05/347318105.db2.gz CQSIXLSXZYUCSL-DYVFJYSZSA-N 1 1 272.392 3.366 20 30 CGEDMO COc1cc(OC[C@H]2CCCC[N@H+]2C(C)C)ccc1C#N ZINC000596275979 347409368 /nfs/dbraw/zinc/40/93/68/347409368.db2.gz YNYDLDUGVKJRGY-OAHLLOKOSA-N 1 1 288.391 3.209 20 30 CGEDMO Cc1ccc(C)c(OCCC[N@@H+]2CC[C@](C)(C#N)C2)c1 ZINC000595833632 347363829 /nfs/dbraw/zinc/36/38/29/347363829.db2.gz HZQXRHYKTWEHPY-QGZVFWFLSA-N 1 1 272.392 3.308 20 30 CGEDMO Cc1ccc(C)c(OCCC[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC000595833632 347363833 /nfs/dbraw/zinc/36/38/33/347363833.db2.gz HZQXRHYKTWEHPY-QGZVFWFLSA-N 1 1 272.392 3.308 20 30 CGEDMO Cc1cc(C[N@@H+]2CC[C@](C)(C#N)C2)c2ccccc2n1 ZINC000595839042 347364775 /nfs/dbraw/zinc/36/47/75/347364775.db2.gz YJNAFAISOQLELN-QGZVFWFLSA-N 1 1 265.360 3.279 20 30 CGEDMO Cc1cc(C[N@H+]2CC[C@](C)(C#N)C2)c2ccccc2n1 ZINC000595839042 347364779 /nfs/dbraw/zinc/36/47/79/347364779.db2.gz YJNAFAISOQLELN-QGZVFWFLSA-N 1 1 265.360 3.279 20 30 CGEDMO C[C@@H](CC[N@H+]1CC[C@](C)(C#N)C1)OCc1ccccc1 ZINC000595842048 347365369 /nfs/dbraw/zinc/36/53/69/347365369.db2.gz BRVAQXJVDVYKJJ-DOTOQJQBSA-N 1 1 272.392 3.217 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C(=O)OC)c1ccsc1 ZINC000595845993 347367434 /nfs/dbraw/zinc/36/74/34/347367434.db2.gz YUNGGHCHAOQFDL-MJBXVCDLSA-N 1 1 277.389 3.145 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C(=O)OC)c1ccsc1 ZINC000595845993 347367436 /nfs/dbraw/zinc/36/74/36/347367436.db2.gz YUNGGHCHAOQFDL-MJBXVCDLSA-N 1 1 277.389 3.145 20 30 CGEDMO CC(C)(C)[C@@H](CN)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000595890088 347370781 /nfs/dbraw/zinc/37/07/81/347370781.db2.gz BIESHQFSVQYEDC-CYBMUJFWSA-N 1 1 299.340 3.040 20 30 CGEDMO Cc1cc(N2CC[C@@](C)(C#N)C2)c2ccccc2[nH+]1 ZINC000596529394 347474795 /nfs/dbraw/zinc/47/47/95/347474795.db2.gz DYZGNBJTFKBQBZ-INIZCTEOSA-N 1 1 251.333 3.283 20 30 CGEDMO N#Cc1ccc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000596569617 347480889 /nfs/dbraw/zinc/48/08/89/347480889.db2.gz AEDBUTCHJMABGS-MRXNPFEDSA-N 1 1 269.392 3.092 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000597175260 347544493 /nfs/dbraw/zinc/54/44/93/347544493.db2.gz AIYMIFMRNLDRJJ-ZDUSSCGKSA-N 1 1 298.365 3.341 20 30 CGEDMO C[C@H]1C[C@H](C)[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597012632 347527557 /nfs/dbraw/zinc/52/75/57/347527557.db2.gz XNJVYPNLYSHAFU-KBPBESRZSA-N 1 1 254.377 3.472 20 30 CGEDMO C[N@@H+](CCC1CC1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597030621 347529397 /nfs/dbraw/zinc/52/93/97/347529397.db2.gz SDCVAYXURPQUAN-UHFFFAOYSA-N 1 1 254.377 3.474 20 30 CGEDMO CC1(C#N)CC[NH+](Cc2cccc(OC3CC3)c2F)CC1 ZINC000597085851 347534704 /nfs/dbraw/zinc/53/47/04/347534704.db2.gz YRVGJISVHLZTBV-UHFFFAOYSA-N 1 1 288.366 3.493 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@H]1CCN(C)C1 ZINC000597156085 347541330 /nfs/dbraw/zinc/54/13/30/347541330.db2.gz WRCJCYXKCICMIJ-SFHVURJKSA-N 1 1 297.446 3.158 20 30 CGEDMO CCCN(Cc1ccc(C2(C#N)CC2)cc1)[C@H]1CC[N@H+](C)C1 ZINC000597156085 347541334 /nfs/dbraw/zinc/54/13/34/347541334.db2.gz WRCJCYXKCICMIJ-SFHVURJKSA-N 1 1 297.446 3.158 20 30 CGEDMO CCCN(Cc1ccc(C2(C#N)CC2)cc1)[C@H]1CC[N@@H+](C)C1 ZINC000597156085 347541338 /nfs/dbraw/zinc/54/13/38/347541338.db2.gz WRCJCYXKCICMIJ-SFHVURJKSA-N 1 1 297.446 3.158 20 30 CGEDMO COCc1csc(C[NH2+]CC2(C#N)CCCC2)c1 ZINC000597158145 347542546 /nfs/dbraw/zinc/54/25/46/347542546.db2.gz NFWMTKFMBVYXCB-UHFFFAOYSA-N 1 1 264.394 3.068 20 30 CGEDMO COc1cccc([C@@]2(C)CC[N@@H+](Cc3ccc(C#N)o3)C2)c1 ZINC000597209852 347554940 /nfs/dbraw/zinc/55/49/40/347554940.db2.gz DNHTZGYZBMNRCP-SFHVURJKSA-N 1 1 296.370 3.323 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000597230670 347558300 /nfs/dbraw/zinc/55/83/00/347558300.db2.gz TTXXMRBOHBAXAH-OAHLLOKOSA-N 1 1 280.318 3.066 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000597230670 347558303 /nfs/dbraw/zinc/55/83/03/347558303.db2.gz TTXXMRBOHBAXAH-OAHLLOKOSA-N 1 1 280.318 3.066 20 30 CGEDMO N#CCc1ccc(C[NH2+][C@H]2CCCc3scnc32)cc1 ZINC000599050822 347710876 /nfs/dbraw/zinc/71/08/76/347710876.db2.gz DKSIDPUGFVQZCE-AWEZNQCLSA-N 1 1 283.400 3.376 20 30 CGEDMO Cc1ccc([C@@H](C)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598585586 347666624 /nfs/dbraw/zinc/66/66/24/347666624.db2.gz GJFSLFMAPNDMJN-ZBFHGGJFSA-N 1 1 274.408 3.289 20 30 CGEDMO CC[N@H+](Cc1ccccc1Cl)C[C@@H](O)CC(C)(C)C#N ZINC000598586840 347666916 /nfs/dbraw/zinc/66/69/16/347666916.db2.gz FNBVHCZFHMQYKR-AWEZNQCLSA-N 1 1 294.826 3.463 20 30 CGEDMO Cc1nc(C)c([C@@H](C)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N)s1 ZINC000598589145 347667359 /nfs/dbraw/zinc/66/73/59/347667359.db2.gz RAFOYFRAOCPIRG-YPMHNXCESA-N 1 1 295.452 3.054 20 30 CGEDMO CCC[C@@]1(C)CCC[N@@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598594728 347668573 /nfs/dbraw/zinc/66/85/73/347668573.db2.gz ILGCTQGNKJWJGS-ZBFHGGJFSA-N 1 1 266.429 3.189 20 30 CGEDMO C[C@H](c1ccco1)[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1CC1 ZINC000598598418 347669221 /nfs/dbraw/zinc/66/92/21/347669221.db2.gz RKJYKEZPOHLYKE-OCCSQVGLSA-N 1 1 276.380 3.106 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000598605103 347670622 /nfs/dbraw/zinc/67/06/22/347670622.db2.gz YUOPBQNXCBZQHE-QTYXSNHHSA-N 1 1 298.430 3.465 20 30 CGEDMO C[C@@H]1C[C@H](C(C)(C)C)CC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598618441 347671408 /nfs/dbraw/zinc/67/14/08/347671408.db2.gz YGLYPPYELWZKEN-KFWWJZLASA-N 1 1 280.456 3.434 20 30 CGEDMO CC(C)[N@@H+](C[C@H](O)CC(C)(C)C#N)C1CC(C)(C)C1 ZINC000598621618 347672372 /nfs/dbraw/zinc/67/23/72/347672372.db2.gz WJYZQUQMVATMNH-CQSZACIVSA-N 1 1 266.429 3.186 20 30 CGEDMO CC(C)(C)C[C@@H]1CC[N@@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598619102 347672410 /nfs/dbraw/zinc/67/24/10/347672410.db2.gz AMLVVJYVTNNDPW-UONOGXRCSA-N 1 1 266.429 3.045 20 30 CGEDMO C/C=C/C[C@H]1CCC[N@@H+](Cc2ccncc2C#N)C1 ZINC000599690953 347766566 /nfs/dbraw/zinc/76/65/66/347766566.db2.gz PROLUDGDDCLNMP-HSWBROFVSA-N 1 1 255.365 3.131 20 30 CGEDMO Cc1ccc(CN(C)CC[C@H]2CCCC[N@H+]2C)cc1C#N ZINC000599300796 347733598 /nfs/dbraw/zinc/73/35/98/347733598.db2.gz WUUAANHOCKJWSB-GOSISDBHSA-N 1 1 285.435 3.173 20 30 CGEDMO CSC[C@H]1CCC[N@H+]1Cc1ccc(C)c(C#N)c1 ZINC000599319628 347735531 /nfs/dbraw/zinc/73/55/31/347735531.db2.gz OTZHUEQEIDFJBE-OAHLLOKOSA-N 1 1 260.406 3.194 20 30 CGEDMO CCN1CC[C@H]([N@H+](C)Cc2ccc(C)c(C#N)c2)[C@H](C)C1 ZINC000599332455 347736956 /nfs/dbraw/zinc/73/69/56/347736956.db2.gz TVDSNAFAHBBWPP-QAPCUYQASA-N 1 1 285.435 3.029 20 30 CGEDMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(C)c(C#N)c2)[C@H](C)C1 ZINC000599332455 347736960 /nfs/dbraw/zinc/73/69/60/347736960.db2.gz TVDSNAFAHBBWPP-QAPCUYQASA-N 1 1 285.435 3.029 20 30 CGEDMO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(C)c(C#N)c2)[C@H](C)C1 ZINC000599332455 347736962 /nfs/dbraw/zinc/73/69/62/347736962.db2.gz TVDSNAFAHBBWPP-QAPCUYQASA-N 1 1 285.435 3.029 20 30 CGEDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(C)c(C#N)c2)[C@H](C)C1 ZINC000599332455 347736965 /nfs/dbraw/zinc/73/69/65/347736965.db2.gz TVDSNAFAHBBWPP-QAPCUYQASA-N 1 1 285.435 3.029 20 30 CGEDMO C[C@H](CC#N)[N@H+](C)CCc1cccc(C(F)(F)F)c1 ZINC000600116865 347782329 /nfs/dbraw/zinc/78/23/29/347782329.db2.gz FILQWIAPVCJXTR-LLVKDONJSA-N 1 1 270.298 3.482 20 30 CGEDMO C[C@H](CC#N)[N@@H+](C)CCc1cccc(C(F)(F)F)c1 ZINC000600116865 347782332 /nfs/dbraw/zinc/78/23/32/347782332.db2.gz FILQWIAPVCJXTR-LLVKDONJSA-N 1 1 270.298 3.482 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCCC(F)(F)CC2)c1 ZINC000599551216 347753621 /nfs/dbraw/zinc/75/36/21/347753621.db2.gz IKYOEJZKAMILHL-UHFFFAOYSA-N 1 1 250.292 3.179 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC000599552645 347753761 /nfs/dbraw/zinc/75/37/61/347753761.db2.gz LLKQYDYKYPBQJA-KGLIPLIRSA-N 1 1 276.380 3.167 20 30 CGEDMO CCOCC[N@@H+](CCCC#N)[C@H]1CCc2ccccc21 ZINC000599625742 347759473 /nfs/dbraw/zinc/75/94/73/347759473.db2.gz NSSWRWGCBLNQDE-KRWDZBQOSA-N 1 1 272.392 3.316 20 30 CGEDMO CN(C)c1c(F)c(F)ccc1C[NH+]1CCC(C)(C#N)CC1 ZINC000600145964 347784598 /nfs/dbraw/zinc/78/45/98/347784598.db2.gz DFDOAXMHJKJMKJ-UHFFFAOYSA-N 1 1 293.361 3.156 20 30 CGEDMO N#Cc1c(F)cccc1C[NH2+]CCOC1CCCCC1 ZINC000602007247 347932696 /nfs/dbraw/zinc/93/26/96/347932696.db2.gz OSRDAUIIHMLIGY-UHFFFAOYSA-N 1 1 276.355 3.136 20 30 CGEDMO COCC[N@H+](Cc1cccs1)C[C@@H](C)CCC#N ZINC000602430552 347956452 /nfs/dbraw/zinc/95/64/52/347956452.db2.gz BWSBJFIRKZYLNP-ZDUSSCGKSA-N 1 1 266.410 3.136 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000602436154 347956889 /nfs/dbraw/zinc/95/68/89/347956889.db2.gz VZLLNFQTPKIZIL-CYBMUJFWSA-N 1 1 267.376 3.466 20 30 CGEDMO CC[C@H](C)[C@@H](C[N@@H+](C)Cc1cccc(C#N)c1)OC ZINC000602438801 347957810 /nfs/dbraw/zinc/95/78/10/347957810.db2.gz AOIBNSNKTWNXMI-XJKSGUPXSA-N 1 1 260.381 3.051 20 30 CGEDMO CC(C)[N@@H+](Cc1cccs1)Cc1cccc(C#N)n1 ZINC000602440295 347958084 /nfs/dbraw/zinc/95/80/84/347958084.db2.gz QBMQAKYRKQFPGM-UHFFFAOYSA-N 1 1 271.389 3.425 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000602443805 347959254 /nfs/dbraw/zinc/95/92/54/347959254.db2.gz WAHSEIOUUQAPNW-WBVHZDCISA-N 1 1 256.393 3.491 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000602444220 347959489 /nfs/dbraw/zinc/95/94/89/347959489.db2.gz ZGTWKMXWZIFHKC-BBRMVZONSA-N 1 1 276.355 3.139 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000602444220 347959492 /nfs/dbraw/zinc/95/94/92/347959492.db2.gz ZGTWKMXWZIFHKC-BBRMVZONSA-N 1 1 276.355 3.139 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000602461071 347962087 /nfs/dbraw/zinc/96/20/87/347962087.db2.gz XASOGWHVSJKBGH-NVXWUHKLSA-N 1 1 272.392 3.390 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCN(Cc2ccccc2)C[C@H]1C ZINC000602468776 347964197 /nfs/dbraw/zinc/96/41/97/347964197.db2.gz RRNKVHXSPFZWBF-IAGOWNOFSA-N 1 1 285.435 3.133 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000602468874 347964355 /nfs/dbraw/zinc/96/43/55/347964355.db2.gz NWJFNYRRRTWNOR-YJBOKZPZSA-N 1 1 286.419 3.298 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000602477530 347964665 /nfs/dbraw/zinc/96/46/65/347964665.db2.gz RRIUZAIQBPBLHI-FUHWJXTLSA-N 1 1 285.435 3.133 20 30 CGEDMO CC[C@@H](O)C[N@H+](Cc1ccccc1)C[C@@H](C)CCC#N ZINC000602475884 347965121 /nfs/dbraw/zinc/96/51/21/347965121.db2.gz MAMNDPWFTMTYGG-DOTOQJQBSA-N 1 1 274.408 3.199 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000602480114 347965886 /nfs/dbraw/zinc/96/58/86/347965886.db2.gz SYICQVHKCHOJSD-IPYPFGDCSA-N 1 1 278.421 3.450 20 30 CGEDMO N#Cc1cccc(C[NH2+][C@@H]2CCCOc3c(F)cccc32)n1 ZINC000602589290 347989355 /nfs/dbraw/zinc/98/93/55/347989355.db2.gz SSQJXEXDHPIOBN-MRXNPFEDSA-N 1 1 297.333 3.096 20 30 CGEDMO CCn1ccnc1[C@H]1CCCC[N@H+]1C[C@H](C)CCC#N ZINC000602644066 347999734 /nfs/dbraw/zinc/99/97/34/347999734.db2.gz UNWFVRAWHLLPCH-HUUCEWRRSA-N 1 1 274.412 3.370 20 30 CGEDMO C[C@@H](CCC#N)C[NH2+]C[C@H]1CCCN1C1CCCCC1 ZINC000602645511 348000052 /nfs/dbraw/zinc/00/00/52/348000052.db2.gz JNEUPNLKQZKPOJ-DOTOQJQBSA-N 1 1 277.456 3.313 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000602651635 348001339 /nfs/dbraw/zinc/00/13/39/348001339.db2.gz UGANTXDNDMAMCF-CYBMUJFWSA-N 1 1 275.352 3.009 20 30 CGEDMO N#Cc1cccc(C[NH2+]Cc2cc(C3CC3)ccc2F)n1 ZINC000602675998 348006678 /nfs/dbraw/zinc/00/66/78/348006678.db2.gz YIUMECVOOUBVJA-UHFFFAOYSA-N 1 1 281.334 3.260 20 30 CGEDMO CC(C)[N@@H+](Cc1cccc(C#N)n1)C1CC(C)(C)C1 ZINC000602684968 348009132 /nfs/dbraw/zinc/00/91/32/348009132.db2.gz CIDVUICUDJNIKY-UHFFFAOYSA-N 1 1 257.381 3.352 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1C[C@H](C)OC2(CCCCC2)C1 ZINC000602712959 348015775 /nfs/dbraw/zinc/01/57/75/348015775.db2.gz WWIJJBLYUOZWNL-CABCVRRESA-N 1 1 264.413 3.350 20 30 CGEDMO COCc1cc(C#N)ccc1N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000603403467 348079519 /nfs/dbraw/zinc/07/95/19/348079519.db2.gz NWRDXANZKGEYCS-QZTJIDSGSA-N 1 1 299.418 3.133 20 30 CGEDMO COCc1ccc([C@@H]2CCC[N@H+]2CC2(CC#N)CC2)o1 ZINC000602813182 348032910 /nfs/dbraw/zinc/03/29/10/348032910.db2.gz SZDAUDIDSJBIDI-AWEZNQCLSA-N 1 1 274.364 3.257 20 30 CGEDMO C[C@H](C[N@@H+](CC1(CC#N)CC1)[C@@H](C)CO)c1ccccc1 ZINC000602831478 348034874 /nfs/dbraw/zinc/03/48/74/348034874.db2.gz XVDUSDZOGNQJMD-CVEARBPZSA-N 1 1 286.419 3.167 20 30 CGEDMO C[C@]1(c2ccc(F)cc2)CC[N@@H+](CC2(CC#N)CC2)C1 ZINC000602831169 348034993 /nfs/dbraw/zinc/03/49/93/348034993.db2.gz ZRYWQQHVTUIAKH-INIZCTEOSA-N 1 1 272.367 3.483 20 30 CGEDMO N#CCC1(C[N@@H+]2CCC[C@H](O)[C@@H]2CCc2ccccc2)CC1 ZINC000602852838 348037046 /nfs/dbraw/zinc/03/70/46/348037046.db2.gz RPWBZZLTXZKDGY-ROUUACIJSA-N 1 1 298.430 3.138 20 30 CGEDMO C[C@H](CC#N)[NH2+]CCSc1cccc(Cl)c1 ZINC000602871466 348038949 /nfs/dbraw/zinc/03/89/49/348038949.db2.gz RWQDSKCGJOYQJW-SNVBAGLBSA-N 1 1 254.786 3.324 20 30 CGEDMO COc1ccc([C@H]2CC[N@@H+](CC3(CC#N)CC3)C2)cc1F ZINC000602915379 348043254 /nfs/dbraw/zinc/04/32/54/348043254.db2.gz CHTHMSZCNQNUDN-AWEZNQCLSA-N 1 1 288.366 3.317 20 30 CGEDMO C[N@@H+](CCc1ccc(F)c(F)c1)[C@H]1CCC[C@@H]1C#N ZINC000602978083 348049358 /nfs/dbraw/zinc/04/93/58/348049358.db2.gz LIEGRKHILMIJID-DOMZBBRYSA-N 1 1 264.319 3.131 20 30 CGEDMO COc1cccc(CCC[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000602978883 348050220 /nfs/dbraw/zinc/05/02/20/348050220.db2.gz XVQVKWCCONILEO-NVXWUHKLSA-N 1 1 272.392 3.252 20 30 CGEDMO COc1ncc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)c2ccccc21 ZINC000602981742 348051282 /nfs/dbraw/zinc/05/12/82/348051282.db2.gz IZSKJYTXFUAQBI-DYVFJYSZSA-N 1 1 295.386 3.367 20 30 CGEDMO COc1ncc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)c2ccccc21 ZINC000602981742 348051286 /nfs/dbraw/zinc/05/12/86/348051286.db2.gz IZSKJYTXFUAQBI-DYVFJYSZSA-N 1 1 295.386 3.367 20 30 CGEDMO COc1cncc(/C=C/CC[N@@H+](C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000602982617 348052553 /nfs/dbraw/zinc/05/25/53/348052553.db2.gz VOFOUBGFCGUEJX-AIESJDIKSA-N 1 1 285.391 3.118 20 30 CGEDMO N#Cc1cnccc1C[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC000603000203 348054098 /nfs/dbraw/zinc/05/40/98/348054098.db2.gz XPCKGJRNZLJXOX-HNNXBMFYSA-N 1 1 269.392 3.355 20 30 CGEDMO N#Cc1ccc(NCC[NH+]2Cc3ccccc3C2)c(F)c1 ZINC000608778985 348326901 /nfs/dbraw/zinc/32/69/01/348326901.db2.gz KCGLPOSCKUILCR-UHFFFAOYSA-N 1 1 281.334 3.125 20 30 CGEDMO CCC[C@@H]([NH2+]Cc1ccc(C#N)o1)c1ccccn1 ZINC000610270883 348369531 /nfs/dbraw/zinc/36/95/31/348369531.db2.gz ZGDPBXGJQVOTGT-CQSZACIVSA-N 1 1 255.321 3.177 20 30 CGEDMO CCC[C@H]([NH2+]Cc1ccc(C#N)o1)c1ccccn1 ZINC000610270882 348369549 /nfs/dbraw/zinc/36/95/49/348369549.db2.gz ZGDPBXGJQVOTGT-AWEZNQCLSA-N 1 1 255.321 3.177 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]2Cc2ccccc2)ccn1 ZINC000610991208 348413878 /nfs/dbraw/zinc/41/38/78/348413878.db2.gz DSJQMYKEHRCLAJ-GOSISDBHSA-N 1 1 277.371 3.160 20 30 CGEDMO CC[N@@H+](CCC(F)(F)F)Cc1ccc(OC)c(C#N)c1 ZINC000610992310 348415376 /nfs/dbraw/zinc/41/53/76/348415376.db2.gz UHZDPUSGJYGKCJ-UHFFFAOYSA-N 1 1 286.297 3.341 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Oc2cnccn2)cc1)C1CC1 ZINC000273353295 192124125 /nfs/dbraw/zinc/12/41/25/192124125.db2.gz BLJGAGAKOGDRTG-UHFFFAOYSA-N 1 1 281.359 3.419 20 30 CGEDMO Cc1ccncc1[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000611336522 348438929 /nfs/dbraw/zinc/43/89/29/348438929.db2.gz RYIBLDDJWFZCGU-GFCCVEGCSA-N 1 1 269.323 3.252 20 30 CGEDMO C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1cccc(C#N)c1 ZINC000611387966 348443867 /nfs/dbraw/zinc/44/38/67/348443867.db2.gz AZBNJWZKXUOMPQ-NSHDSACASA-N 1 1 299.305 3.456 20 30 CGEDMO C[NH+](C)CC(C)(C)CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611390103 348444652 /nfs/dbraw/zinc/44/46/52/348444652.db2.gz CCEXDNXTIJJPIG-QGZVFWFLSA-N 1 1 285.435 3.113 20 30 CGEDMO CN(C)CC(C)(C)C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611390103 348444653 /nfs/dbraw/zinc/44/46/53/348444653.db2.gz CCEXDNXTIJJPIG-QGZVFWFLSA-N 1 1 285.435 3.113 20 30 CGEDMO CCCC1CCC(C[N@H+](CCC#N)CCOC)CC1 ZINC000611413572 348449813 /nfs/dbraw/zinc/44/98/13/348449813.db2.gz FBVODLWOABWBNB-UHFFFAOYSA-N 1 1 266.429 3.455 20 30 CGEDMO C[C@@H]1CC[N@@H+](CCCOc2cccc(C#N)c2)C[C@H]1F ZINC000611501473 348456147 /nfs/dbraw/zinc/45/61/47/348456147.db2.gz CMAXFVLHJQXMSE-CZUORRHYSA-N 1 1 276.355 3.007 20 30 CGEDMO C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000612082852 348492115 /nfs/dbraw/zinc/49/21/15/348492115.db2.gz CKHDIPRRNRIXAN-INIZCTEOSA-N 1 1 294.398 3.136 20 30 CGEDMO COc1cccc(CCC[N@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000612161588 348497943 /nfs/dbraw/zinc/49/79/43/348497943.db2.gz CSYFVDOUXYJCRI-KRWDZBQOSA-N 1 1 272.392 3.253 20 30 CGEDMO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2c(F)c(F)cc(F)c2F)C1 ZINC000613255586 348581532 /nfs/dbraw/zinc/58/15/32/348581532.db2.gz YKZHNRXIKNOJMA-RKDXNWHRSA-N 1 1 286.272 3.415 20 30 CGEDMO COC(C)(C)C[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614171163 348654124 /nfs/dbraw/zinc/65/41/24/348654124.db2.gz DQDAULIDHBOUPA-UHFFFAOYSA-N 1 1 274.408 3.345 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCc2ccc(O)cc2CC1 ZINC000614963200 348703233 /nfs/dbraw/zinc/70/32/33/348703233.db2.gz QOLWEXUNZLOURP-AWEZNQCLSA-N 1 1 292.382 3.426 20 30 CGEDMO Cc1ccccc1C[C@@H](C)[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000618551702 349105849 /nfs/dbraw/zinc/10/58/49/349105849.db2.gz LKVSVYLCFCFLDX-OAHLLOKOSA-N 1 1 279.387 3.325 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000618668731 349137960 /nfs/dbraw/zinc/13/79/60/349137960.db2.gz YCNQFUYFMYKAHA-CQSZACIVSA-N 1 1 278.440 3.112 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000618887188 349175651 /nfs/dbraw/zinc/17/56/51/349175651.db2.gz LNLGVFDOCCYLEW-BBRMVZONSA-N 1 1 276.355 3.139 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000618887188 349175656 /nfs/dbraw/zinc/17/56/56/349175656.db2.gz LNLGVFDOCCYLEW-BBRMVZONSA-N 1 1 276.355 3.139 20 30 CGEDMO N#Cc1cccnc1NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000619549323 349258368 /nfs/dbraw/zinc/25/83/68/349258368.db2.gz RUVNXMPZKYENBF-MRXNPFEDSA-N 1 1 284.407 3.162 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000619672606 349269045 /nfs/dbraw/zinc/26/90/45/349269045.db2.gz KRJQPYXKJBPURQ-GUDVDZBRSA-N 1 1 297.446 3.180 20 30 CGEDMO Cc1nccnc1[C@@H](C)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619754452 349281571 /nfs/dbraw/zinc/28/15/71/349281571.db2.gz AADYDGFMCJIEKZ-LLVKDONJSA-N 1 1 286.766 3.161 20 30 CGEDMO C=C(CC)CNc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000624264198 350014755 /nfs/dbraw/zinc/01/47/55/350014755.db2.gz VUXNDKPBTJCCCM-UHFFFAOYSA-N 1 1 280.375 3.375 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2Cl)C1 ZINC000625699648 350197318 /nfs/dbraw/zinc/19/73/18/350197318.db2.gz BUGSYKZHELNFKQ-GFCCVEGCSA-N 1 1 278.783 3.177 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2Cl)C1 ZINC000625699648 350197320 /nfs/dbraw/zinc/19/73/20/350197320.db2.gz BUGSYKZHELNFKQ-GFCCVEGCSA-N 1 1 278.783 3.177 20 30 CGEDMO C=CC[C@H]1CC[N@H+](C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000625700624 350198174 /nfs/dbraw/zinc/19/81/74/350198174.db2.gz DDXORNJMMLTBJL-BBRMVZONSA-N 1 1 279.811 3.141 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2nc([C@H](C)OCC(C)C)no2)C1 ZINC000625700757 350198941 /nfs/dbraw/zinc/19/89/41/350198941.db2.gz LEPCEKYEPKMKHI-KBPBESRZSA-N 1 1 293.411 3.201 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2nc([C@H](C)OCC(C)C)no2)C1 ZINC000625700757 350198944 /nfs/dbraw/zinc/19/89/44/350198944.db2.gz LEPCEKYEPKMKHI-KBPBESRZSA-N 1 1 293.411 3.201 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](CC(=O)Nc2c(C)cccc2Cl)C1 ZINC000625702964 350199301 /nfs/dbraw/zinc/19/93/01/350199301.db2.gz PBTUVBCTLFNQSI-ZDUSSCGKSA-N 1 1 292.810 3.485 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CC(=O)Nc2c(C)cccc2Cl)C1 ZINC000625702964 350199305 /nfs/dbraw/zinc/19/93/05/350199305.db2.gz PBTUVBCTLFNQSI-ZDUSSCGKSA-N 1 1 292.810 3.485 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CC(=O)Nc2ccc(SC)cc2)C1 ZINC000625702451 350199508 /nfs/dbraw/zinc/19/95/08/350199508.db2.gz GMYBJKNQOPRTIZ-ZDUSSCGKSA-N 1 1 290.432 3.245 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2nc(-c3ccc(OC)cc3)no2)C1 ZINC000625705157 350200970 /nfs/dbraw/zinc/20/09/70/350200970.db2.gz XQZHVRLDNMRPSY-ZDUSSCGKSA-N 1 1 299.374 3.143 20 30 CGEDMO CC[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)C[C@@H](C)O ZINC000352209674 219361645 /nfs/dbraw/zinc/36/16/45/219361645.db2.gz CKUCILVURLMVGO-OAHLLOKOSA-N 1 1 294.398 3.428 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000628404965 350528714 /nfs/dbraw/zinc/52/87/14/350528714.db2.gz AEGRMEWFOKVSJC-OCCSQVGLSA-N 1 1 278.421 3.393 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cc(OC)c(OC)c(OC)c2)C1 ZINC000628405742 350529618 /nfs/dbraw/zinc/52/96/18/350529618.db2.gz SXBMZAYMIJZAFS-ZDUSSCGKSA-N 1 1 291.391 3.110 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2cccc3c2OCCCO3)C1 ZINC000628405999 350529747 /nfs/dbraw/zinc/52/97/47/350529747.db2.gz ZMSSQLBVIQRXSF-CQSZACIVSA-N 1 1 273.376 3.246 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000628407120 350530695 /nfs/dbraw/zinc/53/06/95/350530695.db2.gz ZDXYGOSOKUGDMG-QAPCUYQASA-N 1 1 287.403 3.252 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000631769019 351139531 /nfs/dbraw/zinc/13/95/31/351139531.db2.gz HDUQOLAXTBKTHF-RDJZCZTQSA-N 1 1 298.430 3.122 20 30 CGEDMO N#Cc1csc(C[NH2+][C@@H]2CCCc3cc(F)ccc32)n1 ZINC000336508564 213385098 /nfs/dbraw/zinc/38/50/98/213385098.db2.gz KEODCIOSHFONAA-CQSZACIVSA-N 1 1 287.363 3.321 20 30 CGEDMO C=CCCCCCN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC000635594371 351672426 /nfs/dbraw/zinc/67/24/26/351672426.db2.gz GZGJLLCNQCBDJR-UHFFFAOYSA-N 1 1 277.412 3.211 20 30 CGEDMO N#CC1(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)CCC1 ZINC000336202948 303142165 /nfs/dbraw/zinc/14/21/65/303142165.db2.gz RRCPUYDESFHLRH-QWHCGFSZSA-N 1 1 250.411 3.040 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(F)cc1)[C@H](CCO)c1ccccc1 ZINC000153882021 188109824 /nfs/dbraw/zinc/10/98/24/188109824.db2.gz JFOYVNGFSOSJRH-LJQANCHMSA-N 1 1 297.373 3.233 20 30 CGEDMO N#CCCCC[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000157664024 188330636 /nfs/dbraw/zinc/33/06/36/188330636.db2.gz FRKOICVQUHHBEE-OAHLLOKOSA-N 1 1 288.366 3.414 20 30 CGEDMO C[C@]12CC[N@@H+](Cc3ccc(C#N)s3)C[C@H]1C2(F)F ZINC000292707409 198383870 /nfs/dbraw/zinc/38/38/70/198383870.db2.gz CYUIMNFJMZVDQS-NEPJUHHUSA-N 1 1 268.332 3.097 20 30 CGEDMO C#CC[C@H]([NH2+]Cc1c(C)nn(C)c1Cl)c1ccccc1 ZINC000271729270 191295144 /nfs/dbraw/zinc/29/51/44/191295144.db2.gz RVKKVCGBILSWAZ-HNNXBMFYSA-N 1 1 287.794 3.236 20 30 CGEDMO N#CC1CCC(C[NH2+][C@H]2C[C@@H](N)c3ccccc32)CC1 ZINC000335024161 283050051 /nfs/dbraw/zinc/05/00/51/283050051.db2.gz XBJHWKYWWFZPHC-YCUKKYJWSA-N 1 1 269.392 3.051 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCc3ccc(Cl)cc3C2)C1 ZINC000336488737 283058943 /nfs/dbraw/zinc/05/89/43/283058943.db2.gz OWNOOFORGLUZFR-ABAIWWIYSA-N 1 1 260.768 3.390 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000514738274 283098816 /nfs/dbraw/zinc/09/88/16/283098816.db2.gz XGYIYLHSLKIMOI-HNNXBMFYSA-N 1 1 281.334 3.082 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c(F)c1 ZINC000087771045 283141104 /nfs/dbraw/zinc/14/11/04/283141104.db2.gz ABOUZQXZUKPVFP-CJNGLKHVSA-N 1 1 258.340 3.462 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCc3ccsc3C2)s1 ZINC000127077256 283143214 /nfs/dbraw/zinc/14/32/14/283143214.db2.gz KWQDGNFNCMUFAP-UHFFFAOYSA-N 1 1 260.387 3.240 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCc3ccsc3C2)s1 ZINC000127077256 283143217 /nfs/dbraw/zinc/14/32/17/283143217.db2.gz KWQDGNFNCMUFAP-UHFFFAOYSA-N 1 1 260.387 3.240 20 30 CGEDMO N#Cc1ccc(C[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)s1 ZINC000334687853 283143844 /nfs/dbraw/zinc/14/38/44/283143844.db2.gz QKFQSTHWRNRDJI-UHFFFAOYSA-N 1 1 296.395 3.373 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)s1 ZINC000334687853 283143846 /nfs/dbraw/zinc/14/38/46/283143846.db2.gz QKFQSTHWRNRDJI-UHFFFAOYSA-N 1 1 296.395 3.373 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@H]2COc3c2cccc3Cl)cc1 ZINC000372672515 283148406 /nfs/dbraw/zinc/14/84/06/283148406.db2.gz CTDFYJANAZWJGS-HNNXBMFYSA-N 1 1 284.746 3.435 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000160790353 283152134 /nfs/dbraw/zinc/15/21/34/283152134.db2.gz KCHAZNHIEMPXKF-WBMJQRKESA-N 1 1 258.340 3.462 20 30 CGEDMO C#CCCC[N@H+](C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273546296 192195351 /nfs/dbraw/zinc/19/53/51/192195351.db2.gz UQVPJAKRDXHPOE-IRXDYDNUSA-N 1 1 275.367 3.391 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCc3sccc3C2)c1 ZINC000019430630 283205525 /nfs/dbraw/zinc/20/55/25/283205525.db2.gz YVIBFJDCIFFTOZ-UHFFFAOYSA-N 1 1 254.358 3.178 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCc3sccc3C2)c1 ZINC000019430630 283205527 /nfs/dbraw/zinc/20/55/27/283205527.db2.gz YVIBFJDCIFFTOZ-UHFFFAOYSA-N 1 1 254.358 3.178 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000088704501 138342478 /nfs/dbraw/zinc/34/24/78/138342478.db2.gz CROXSGSZRWQRJI-KGLIPLIRSA-N 1 1 258.365 3.057 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCc1cccnc1 ZINC000425530384 236258076 /nfs/dbraw/zinc/25/80/76/236258076.db2.gz FCZIDAXUDWDRQS-CQSZACIVSA-N 1 1 265.360 3.189 20 30 CGEDMO Cc1ncccc1C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425368710 236239579 /nfs/dbraw/zinc/23/95/79/236239579.db2.gz XPDZVVLYRKZMLP-AWEZNQCLSA-N 1 1 265.360 3.455 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000336220803 213047212 /nfs/dbraw/zinc/04/72/12/213047212.db2.gz QXQNNODYDDHXQR-QGZVFWFLSA-N 1 1 288.366 3.088 20 30 CGEDMO CC[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(OC)cc1 ZINC000352836413 219671662 /nfs/dbraw/zinc/67/16/62/219671662.db2.gz TXGKXJPSXIOFGF-AWEZNQCLSA-N 1 1 287.388 3.264 20 30 CGEDMO CCC[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000341593020 216025638 /nfs/dbraw/zinc/02/56/38/216025638.db2.gz XZPKZJBKHAMVEH-OAHLLOKOSA-N 1 1 299.418 3.399 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C[C@H]1C ZINC000437893675 237368907 /nfs/dbraw/zinc/36/89/07/237368907.db2.gz FTJUUGJBLRZBDC-PHIMTYICSA-N 1 1 280.318 3.247 20 30 CGEDMO Cc1cc(NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc(C#N)n1 ZINC000341724345 216079150 /nfs/dbraw/zinc/07/91/50/216079150.db2.gz WCSBWBIJWFVBOY-OKILXGFUSA-N 1 1 286.423 3.042 20 30 CGEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2cc(C#N)ccn2)C1 ZINC000341825214 216119144 /nfs/dbraw/zinc/11/91/44/216119144.db2.gz PUOUSBUHYAFWCC-WMLDXEAASA-N 1 1 292.386 3.201 20 30 CGEDMO CC(C)COC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000177268570 189040769 /nfs/dbraw/zinc/04/07/69/189040769.db2.gz YDBSDUDWNJBXGH-UHFFFAOYSA-N 1 1 290.382 3.334 20 30 CGEDMO C[C@@H](CCNCc1ccc(C#N)o1)[N@@H+](C)Cc1ccccc1 ZINC000177562306 189057111 /nfs/dbraw/zinc/05/71/11/189057111.db2.gz POPJMNGQAXKJRB-HNNXBMFYSA-N 1 1 297.402 3.151 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000178073812 189088927 /nfs/dbraw/zinc/08/89/27/189088927.db2.gz KRNRRHNJENRGBJ-HZPDHXFCSA-N 1 1 263.356 3.290 20 30 CGEDMO C[N@@H+](CCOCc1ccccc1)Cc1ccc(C#N)s1 ZINC000180592042 189264152 /nfs/dbraw/zinc/26/41/52/189264152.db2.gz KGPAJTFPIFHOOZ-UHFFFAOYSA-N 1 1 286.400 3.268 20 30 CGEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)s2)C12CCC2 ZINC000180729164 189272305 /nfs/dbraw/zinc/27/23/05/189272305.db2.gz HLEWKVWORMIWIU-GJZGRUSLSA-N 1 1 290.432 3.399 20 30 CGEDMO CCC[N@@H+](CCC(C)(C)C#N)C[C@@H]1CCCCO1 ZINC000119640400 370695095 /nfs/dbraw/zinc/69/50/95/370695095.db2.gz MNGKDHXEQWLRCV-AWEZNQCLSA-N 1 1 252.402 3.207 20 30 CGEDMO C[C@@H](NCc1cccc(C#N)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183103674 189346578 /nfs/dbraw/zinc/34/65/78/189346578.db2.gz HEVIFHPXPVFQMY-CRAIPNDOSA-N 1 1 297.446 3.301 20 30 CGEDMO C[C@@H](NCc1cccc(C#N)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183103674 189346579 /nfs/dbraw/zinc/34/65/79/189346579.db2.gz HEVIFHPXPVFQMY-CRAIPNDOSA-N 1 1 297.446 3.301 20 30 CGEDMO CC(=O)c1ccc(C#N)cc1NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000302117969 201348202 /nfs/dbraw/zinc/34/82/02/201348202.db2.gz SESLCQDVDIMSKP-ZIAGYGMSSA-N 1 1 299.418 3.293 20 30 CGEDMO COc1ccc([C@H](C)[N@@H+](C)Cc2cc(C#N)n(C)c2)cc1 ZINC000191209859 189586725 /nfs/dbraw/zinc/58/67/25/189586725.db2.gz PMBPTTNZTVIFIC-ZDUSSCGKSA-N 1 1 283.375 3.098 20 30 CGEDMO C[C@@H]1Cc2[nH+]cn(Cc3cccc(F)c3C#N)c2C[C@@H]1C ZINC000451005055 240189648 /nfs/dbraw/zinc/18/96/48/240189648.db2.gz WSRVSMOGUYNGRY-NEPJUHHUSA-N 1 1 283.350 3.313 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451409288 240294065 /nfs/dbraw/zinc/29/40/65/240294065.db2.gz AHAXMRALNITYFI-RNJTYBCJSA-N 1 1 284.403 3.245 20 30 CGEDMO CO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C12CCC2 ZINC000451850365 240369948 /nfs/dbraw/zinc/36/99/48/240369948.db2.gz LQGGQLBHZFQFTR-HZPDHXFCSA-N 1 1 288.366 3.087 20 30 CGEDMO CO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C12CCC2 ZINC000451850365 240369950 /nfs/dbraw/zinc/36/99/50/240369950.db2.gz LQGGQLBHZFQFTR-HZPDHXFCSA-N 1 1 288.366 3.087 20 30 CGEDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)C12CCC2 ZINC000451856675 240370201 /nfs/dbraw/zinc/37/02/01/240370201.db2.gz SZOKHPONIWSSTC-CVEARBPZSA-N 1 1 288.366 3.087 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@]3(CCSC3)C2)ccc1F ZINC000451982997 240390041 /nfs/dbraw/zinc/39/00/41/240390041.db2.gz UMIWBTCIEIVMAK-MRXNPFEDSA-N 1 1 290.407 3.416 20 30 CGEDMO C=CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000121348022 370854332 /nfs/dbraw/zinc/85/43/32/370854332.db2.gz FTRCWUJDCWIRHS-NSHDSACASA-N 1 1 266.772 3.093 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000121348022 370854336 /nfs/dbraw/zinc/85/43/36/370854336.db2.gz FTRCWUJDCWIRHS-NSHDSACASA-N 1 1 266.772 3.093 20 30 CGEDMO C[C@H](C[N@@H+](C)Cc1ccc(C#N)s1)C(=O)OC(C)(C)C ZINC000459752286 242210915 /nfs/dbraw/zinc/21/09/15/242210915.db2.gz BJHCQWGNCFBNID-LLVKDONJSA-N 1 1 294.420 3.029 20 30 CGEDMO CC[C@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)CCS1 ZINC000121595779 370877504 /nfs/dbraw/zinc/87/75/04/370877504.db2.gz ANCBHHHXPQJDFH-ZDUSSCGKSA-N 1 1 264.369 3.025 20 30 CGEDMO CC[C@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)CCS1 ZINC000121595779 370877507 /nfs/dbraw/zinc/87/75/07/370877507.db2.gz ANCBHHHXPQJDFH-ZDUSSCGKSA-N 1 1 264.369 3.025 20 30 CGEDMO C[N@H+](Cc1cccc(OCCCC#N)c1)CC1CC1 ZINC000122906134 370908689 /nfs/dbraw/zinc/90/86/89/370908689.db2.gz OZQVIIWKRLMUMB-UHFFFAOYSA-N 1 1 258.365 3.211 20 30 CGEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000019846936 368773293 /nfs/dbraw/zinc/77/32/93/368773293.db2.gz CKHNHJMHMDDIII-OKILXGFUSA-N 1 1 285.391 3.150 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](Cc1ccccc1)CC(C)C ZINC000036096762 369006763 /nfs/dbraw/zinc/00/67/63/369006763.db2.gz XRJDTOZHPRTVFH-KRWDZBQOSA-N 1 1 261.409 3.472 20 30 CGEDMO C[C@H]1CCCC[C@H]1[N@@H+](C)CCOc1ccccc1C#N ZINC000042278408 369210280 /nfs/dbraw/zinc/21/02/80/369210280.db2.gz ODHSKGIIUDYUCX-GOEBONIOSA-N 1 1 272.392 3.448 20 30 CGEDMO CCCCC(N)=[NH+]OCc1nnc(-c2ccccc2)s1 ZINC000127925614 370958297 /nfs/dbraw/zinc/95/82/97/370958297.db2.gz AVGHVIMXBFUEAV-UHFFFAOYSA-N 1 1 290.392 3.184 20 30 CGEDMO C=CC[N@H+](CCc1cnn(CC)c1)Cc1cccc(C#N)c1 ZINC000276270659 193266179 /nfs/dbraw/zinc/26/61/79/193266179.db2.gz CVBZYTSGHQRGEP-UHFFFAOYSA-N 1 1 294.402 3.005 20 30 CGEDMO C=CC[N@@H+](CCc1cnn(CC)c1)CCc1ccccc1 ZINC000276339099 193291850 /nfs/dbraw/zinc/29/18/50/193291850.db2.gz SUUCAFUVTLPGOU-UHFFFAOYSA-N 1 1 283.419 3.176 20 30 CGEDMO CC(C)[N@@H+](CCCC#N)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350196 369653156 /nfs/dbraw/zinc/65/31/56/369653156.db2.gz FXZDCWWYUCXJBN-UHFFFAOYSA-N 1 1 261.325 3.109 20 30 CGEDMO C[N@@H+](CCCCCn1cccn1)Cc1cccc(C#N)c1 ZINC000068457687 369743725 /nfs/dbraw/zinc/74/37/25/369743725.db2.gz NSZMEIBKQKNIES-UHFFFAOYSA-N 1 1 282.391 3.057 20 30 CGEDMO CCOC[C@@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000072976270 369846355 /nfs/dbraw/zinc/84/63/55/369846355.db2.gz RMFAVYQFMQAYJF-OAHLLOKOSA-N 1 1 297.402 3.059 20 30 CGEDMO CN(C)c1ccccc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000075596259 369913673 /nfs/dbraw/zinc/91/36/73/369913673.db2.gz ZMTCLMWJNFCYCW-UHFFFAOYSA-N 1 1 279.387 3.256 20 30 CGEDMO N#CCCC[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000079962462 369980672 /nfs/dbraw/zinc/98/06/72/369980672.db2.gz AETUKBMMGZQKBG-ZDUSSCGKSA-N 1 1 269.348 3.311 20 30 CGEDMO C[C@@H]([NH2+][C@@H](CN)C1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000423265119 296153381 /nfs/dbraw/zinc/15/33/81/296153381.db2.gz QRVLVVITVQFYIR-PXAZEXFGSA-N 1 1 289.398 3.256 20 30 CGEDMO CS[C@H]1CCCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000092064280 370091279 /nfs/dbraw/zinc/09/12/79/370091279.db2.gz SGBFOFJTHAZASR-LBPRGKRZSA-N 1 1 266.435 3.337 20 30 CGEDMO CC(C)C[C@@H]1CCCCC[N@H+]1CCC(=O)N(C)CCC#N ZINC000092797643 370100715 /nfs/dbraw/zinc/10/07/15/370100715.db2.gz JLMKWAKNHJBGOY-INIZCTEOSA-N 1 1 293.455 3.039 20 30 CGEDMO Cc1ccc(-c2n[nH]cc2C[N@H+](CCC#N)CC2CC2)o1 ZINC000093091289 370108259 /nfs/dbraw/zinc/10/82/59/370108259.db2.gz LSGJPULPASNMEI-UHFFFAOYSA-N 1 1 284.363 3.104 20 30 CGEDMO Cc1ccc(-c2n[nH]cc2C[N@@H+](CCC#N)CC2CC2)o1 ZINC000093091289 370108264 /nfs/dbraw/zinc/10/82/64/370108264.db2.gz LSGJPULPASNMEI-UHFFFAOYSA-N 1 1 284.363 3.104 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccc(O[C@@H](C)C(=O)OC)cc1 ZINC000093533675 370138553 /nfs/dbraw/zinc/13/85/53/370138553.db2.gz OAEAOZSTGWFNAM-AWEZNQCLSA-N 1 1 291.391 3.025 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccc(O[C@H](C)C(=O)OC)cc1 ZINC000093533676 370139194 /nfs/dbraw/zinc/13/91/94/370139194.db2.gz OAEAOZSTGWFNAM-CQSZACIVSA-N 1 1 291.391 3.025 20 30 CGEDMO CCc1cccc(OCC[N@@H+](CC)C[C@@H](C)C#N)c1 ZINC000098134238 370266434 /nfs/dbraw/zinc/26/64/34/370266434.db2.gz FSGZNQBOJDHOMG-AWEZNQCLSA-N 1 1 260.381 3.109 20 30 CGEDMO CCc1cccc(OCC[N@H+](CC)C[C@@H](C)C#N)c1 ZINC000098134238 370266436 /nfs/dbraw/zinc/26/64/36/370266436.db2.gz FSGZNQBOJDHOMG-AWEZNQCLSA-N 1 1 260.381 3.109 20 30 CGEDMO CC[N@H+](CCOc1cc(C)ccc1C)C[C@@H](C)C#N ZINC000098134359 370266445 /nfs/dbraw/zinc/26/64/45/370266445.db2.gz HFMFPEDKDUMZJF-AWEZNQCLSA-N 1 1 260.381 3.164 20 30 CGEDMO CC[N@@H+](CCOc1cc(C)ccc1C)C[C@@H](C)C#N ZINC000098134359 370266448 /nfs/dbraw/zinc/26/64/48/370266448.db2.gz HFMFPEDKDUMZJF-AWEZNQCLSA-N 1 1 260.381 3.164 20 30 CGEDMO CC[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2OC)C1 ZINC000130406759 371031715 /nfs/dbraw/zinc/03/17/15/371031715.db2.gz AOJNYQZTQIAWPT-CYBMUJFWSA-N 1 1 258.365 3.189 20 30 CGEDMO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC000131159563 371087246 /nfs/dbraw/zinc/08/72/46/371087246.db2.gz FMTODGUCZBIRHM-NSHDSACASA-N 1 1 286.379 3.262 20 30 CGEDMO NC(=[NH+]OCc1cccc(Cl)n1)C1CCCCC1 ZINC000131250122 371091745 /nfs/dbraw/zinc/09/17/45/371091745.db2.gz UGULRYUQRJZFLY-UHFFFAOYSA-N 1 1 267.760 3.104 20 30 CGEDMO C=CCC[N@@H+](CC(N)=O)[C@@H](C)c1ccc(CCC)cc1 ZINC000132604675 371186790 /nfs/dbraw/zinc/18/67/90/371186790.db2.gz FERQRYWZOOMGKY-AWEZNQCLSA-N 1 1 274.408 3.064 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000132607249 371188541 /nfs/dbraw/zinc/18/85/41/371188541.db2.gz XHTJOXHEPVYHCG-UHFFFAOYSA-N 1 1 292.810 3.064 20 30 CGEDMO C=CCOc1ccc(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000287741919 371701372 /nfs/dbraw/zinc/70/13/72/371701372.db2.gz YVGJCWHCEIINIQ-RLFYNMQTSA-N 1 1 288.435 3.070 20 30 CGEDMO C=CCOc1ccc(CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000287741919 371701377 /nfs/dbraw/zinc/70/13/77/371701377.db2.gz YVGJCWHCEIINIQ-RLFYNMQTSA-N 1 1 288.435 3.070 20 30 CGEDMO C=CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)cc1 ZINC000287741919 371701381 /nfs/dbraw/zinc/70/13/81/371701381.db2.gz YVGJCWHCEIINIQ-RLFYNMQTSA-N 1 1 288.435 3.070 20 30 CGEDMO C[C@H](NC[C@H](C)[N@@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1 ZINC000344033110 217021816 /nfs/dbraw/zinc/02/18/16/217021816.db2.gz LBCLXTACQGBEKA-PMPSAXMXSA-N 1 1 285.435 3.472 20 30 CGEDMO C[C@H](NC[C@H](C)[N@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1 ZINC000344033110 217021818 /nfs/dbraw/zinc/02/18/18/217021818.db2.gz LBCLXTACQGBEKA-PMPSAXMXSA-N 1 1 285.435 3.472 20 30 CGEDMO Fc1ccc(C#CC[N@@H+]2CCC[C@@H]2c2ccncc2)cc1 ZINC000154038355 371813398 /nfs/dbraw/zinc/81/33/98/371813398.db2.gz YAOYTGMMBRKBMC-GOSISDBHSA-N 1 1 280.346 3.409 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCC[C@@H]2c2ccncc2)cc1 ZINC000154038355 371813406 /nfs/dbraw/zinc/81/34/06/371813406.db2.gz YAOYTGMMBRKBMC-GOSISDBHSA-N 1 1 280.346 3.409 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(-c2ccccc2C(=O)OC)o1 ZINC000154783424 371878061 /nfs/dbraw/zinc/87/80/61/371878061.db2.gz YECWVAFXAVJMAI-UHFFFAOYSA-N 1 1 285.343 3.351 20 30 CGEDMO CC[N@@H+](Cc1c(C)nn(C)c1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000154900330 371888445 /nfs/dbraw/zinc/88/84/45/371888445.db2.gz HUAZTIXNCCZHQL-AWEZNQCLSA-N 1 1 296.418 3.492 20 30 CGEDMO C=C(C)C[N@@H+](CC)[C@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000155140869 371908108 /nfs/dbraw/zinc/90/81/08/371908108.db2.gz JJCKHUNJBAXYHH-CYBMUJFWSA-N 1 1 288.391 3.114 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000155140869 371908112 /nfs/dbraw/zinc/90/81/12/371908112.db2.gz JJCKHUNJBAXYHH-CYBMUJFWSA-N 1 1 288.391 3.114 20 30 CGEDMO CC#CCC[N@H+](CC(=O)OC)[C@@H](CC)c1ccccc1 ZINC000156776264 371994922 /nfs/dbraw/zinc/99/49/22/371994922.db2.gz AZJWGUGZGFEJNG-INIZCTEOSA-N 1 1 273.376 3.026 20 30 CGEDMO CC#CCC[N@@H+](CC(=O)OC)[C@@H](CC)c1ccccc1 ZINC000156776264 371994925 /nfs/dbraw/zinc/99/49/25/371994925.db2.gz AZJWGUGZGFEJNG-INIZCTEOSA-N 1 1 273.376 3.026 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000157698785 372033097 /nfs/dbraw/zinc/03/30/97/372033097.db2.gz PKYVAWVTJAVKMJ-CQSZACIVSA-N 1 1 282.428 3.141 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)CCCC)cc1OC ZINC000158161650 372056598 /nfs/dbraw/zinc/05/65/98/372056598.db2.gz WIHJVKPCVQTPPG-UHFFFAOYSA-N 1 1 263.381 3.492 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000424611952 372087061 /nfs/dbraw/zinc/08/70/61/372087061.db2.gz SHSCPFFPROEZDD-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H]3CCC[C@@H]32)c1C ZINC000426471886 372159937 /nfs/dbraw/zinc/15/99/37/372159937.db2.gz XLRCPQIZZQGWPO-RDJZCZTQSA-N 1 1 286.419 3.348 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000291881004 372175802 /nfs/dbraw/zinc/17/58/02/372175802.db2.gz QGJWLTUZUSWMHM-MRXNPFEDSA-N 1 1 279.811 3.056 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000291881004 372175815 /nfs/dbraw/zinc/17/58/15/372175815.db2.gz QGJWLTUZUSWMHM-MRXNPFEDSA-N 1 1 279.811 3.056 20 30 CGEDMO C=C[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000428050650 372178973 /nfs/dbraw/zinc/17/89/73/372178973.db2.gz TXTIDBXUMNZZDM-CRAIPNDOSA-N 1 1 298.430 3.000 20 30 CGEDMO C[C@H]1CCC[N@H+](CCC(C)(C)C#N)[C@H]1C(=O)OC(C)(C)C ZINC000425509080 372129374 /nfs/dbraw/zinc/12/93/74/372129374.db2.gz IAIZZQJPPSDVGL-UONOGXRCSA-N 1 1 294.439 3.368 20 30 CGEDMO C[C@H]1CCC[N@@H+](CCC(C)(C)C#N)[C@H]1C(=O)OC(C)(C)C ZINC000425509080 372129382 /nfs/dbraw/zinc/12/93/82/372129382.db2.gz IAIZZQJPPSDVGL-UONOGXRCSA-N 1 1 294.439 3.368 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1CC ZINC000292848716 372226241 /nfs/dbraw/zinc/22/62/41/372226241.db2.gz QGNRTTVERSIGKF-QGZVFWFLSA-N 1 1 299.418 3.396 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)o1)Cc1ccc(OC(F)F)cc1 ZINC000160622663 372262742 /nfs/dbraw/zinc/26/27/42/372262742.db2.gz VXMWPJZDVFOKDO-UHFFFAOYSA-N 1 1 292.285 3.385 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)o1)Cc1ccc(OC(F)F)cc1 ZINC000160622663 372262745 /nfs/dbraw/zinc/26/27/45/372262745.db2.gz VXMWPJZDVFOKDO-UHFFFAOYSA-N 1 1 292.285 3.385 20 30 CGEDMO CC(C)C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1CC#N ZINC000429388178 372360725 /nfs/dbraw/zinc/36/07/25/372360725.db2.gz QVQQEDOJPSXEHS-LJQANCHMSA-N 1 1 299.462 3.175 20 30 CGEDMO C=CCOCC[N@@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000293345471 372360841 /nfs/dbraw/zinc/36/08/41/372360841.db2.gz DIWLHRHTBJIFKD-LLVKDONJSA-N 1 1 255.308 3.160 20 30 CGEDMO C=CCOCC[N@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000293345471 372360849 /nfs/dbraw/zinc/36/08/49/372360849.db2.gz DIWLHRHTBJIFKD-LLVKDONJSA-N 1 1 255.308 3.160 20 30 CGEDMO CC[C@H](C)[N@@H+](CCOCCC#N)Cc1ccccc1 ZINC000293627547 372429750 /nfs/dbraw/zinc/42/97/50/372429750.db2.gz WNMRXXXWXZNDCG-HNNXBMFYSA-N 1 1 260.381 3.217 20 30 CGEDMO C=CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)n3ccnc32)cc1 ZINC000295198961 372697452 /nfs/dbraw/zinc/69/74/52/372697452.db2.gz JYFHRIWNDFRDLC-XJKSGUPXSA-N 1 1 283.375 3.244 20 30 CGEDMO CC(C)[N@@H+](CCCCC#N)Cc1ccc([N+](=O)[O-])cc1 ZINC000171034283 372702930 /nfs/dbraw/zinc/70/29/30/372702930.db2.gz BOAYQQODFQYNGT-UHFFFAOYSA-N 1 1 275.352 3.499 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)c1 ZINC000295143990 372696640 /nfs/dbraw/zinc/69/66/40/372696640.db2.gz BZXBVRTXAITLGU-MRXNPFEDSA-N 1 1 289.419 3.234 20 30 CGEDMO CCC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000171681999 372807533 /nfs/dbraw/zinc/80/75/33/372807533.db2.gz IIKIPNWCDHHTRS-UHFFFAOYSA-N 1 1 291.782 3.025 20 30 CGEDMO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000438003622 372862236 /nfs/dbraw/zinc/86/22/36/372862236.db2.gz XEDDMWXKLXWKOT-QMTHXVAHSA-N 1 1 257.312 3.089 20 30 CGEDMO C[C@H]1Cc2[nH+]cn(Cc3ccc(C#N)cc3F)c2C[C@@H]1C ZINC000295932157 372963630 /nfs/dbraw/zinc/96/36/30/372963630.db2.gz KIBQBTDPEZLCJO-RYUDHWBXSA-N 1 1 283.350 3.313 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@](COC)(C(=O)OCC)C1 ZINC000439474321 372978520 /nfs/dbraw/zinc/97/85/20/372978520.db2.gz WWIWALMZARIOEX-RDJZCZTQSA-N 1 1 297.439 3.023 20 30 CGEDMO C=CCC(CC=C)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000439687278 372980712 /nfs/dbraw/zinc/98/07/12/372980712.db2.gz LRYGMMZPDKVRKF-KRWDZBQOSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H](F)CC ZINC000440714444 372993624 /nfs/dbraw/zinc/99/36/24/372993624.db2.gz PDMBQBGFMCUHRR-AWEZNQCLSA-N 1 1 251.345 3.431 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H](F)CC ZINC000440714444 372993633 /nfs/dbraw/zinc/99/36/33/372993633.db2.gz PDMBQBGFMCUHRR-AWEZNQCLSA-N 1 1 251.345 3.431 20 30 CGEDMO C[C@H]1Cc2[nH+]cn(Cc3ccc(C#N)cc3)c2C[C@@H]1C ZINC000296049976 373006455 /nfs/dbraw/zinc/00/64/55/373006455.db2.gz UBOTWAGVARRNQT-STQMWFEESA-N 1 1 265.360 3.174 20 30 CGEDMO CS[C@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000296245323 373065693 /nfs/dbraw/zinc/06/56/93/373065693.db2.gz LFYMOJBYEFIAGS-ZDUSSCGKSA-N 1 1 266.797 3.149 20 30 CGEDMO CS[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000296245323 373065700 /nfs/dbraw/zinc/06/57/00/373065700.db2.gz LFYMOJBYEFIAGS-ZDUSSCGKSA-N 1 1 266.797 3.149 20 30 CGEDMO N#C[C@@H]1CC[C@@H](NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC000442764293 373076116 /nfs/dbraw/zinc/07/61/16/373076116.db2.gz HTTBNLGAQQWHPC-KURKYZTESA-N 1 1 289.467 3.313 20 30 CGEDMO N#C[C@@H]1CC[C@@H](NC[C@@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC000442764293 373076122 /nfs/dbraw/zinc/07/61/22/373076122.db2.gz HTTBNLGAQQWHPC-KURKYZTESA-N 1 1 289.467 3.313 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCN2CC2CCCCC2)C1 ZINC000442764293 373076126 /nfs/dbraw/zinc/07/61/26/373076126.db2.gz HTTBNLGAQQWHPC-KURKYZTESA-N 1 1 289.467 3.313 20 30 CGEDMO CC(C)[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)N1CCCCCC1 ZINC000442722688 373070490 /nfs/dbraw/zinc/07/04/90/373070490.db2.gz VXYIVJUHERKWER-ULQDDVLXSA-N 1 1 277.456 3.169 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCO[C@](C)(CC)C2)c1 ZINC000443847088 373161369 /nfs/dbraw/zinc/16/13/69/373161369.db2.gz AURQETDULOIMAT-QGZVFWFLSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCO[C@](C)(CC)C2)c1 ZINC000443847088 373161380 /nfs/dbraw/zinc/16/13/80/373161380.db2.gz AURQETDULOIMAT-QGZVFWFLSA-N 1 1 275.392 3.252 20 30 CGEDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(Cc1ccccc1C#N)C2 ZINC000173931341 373217819 /nfs/dbraw/zinc/21/78/19/373217819.db2.gz TYQCDZIECZLOCT-ZWKOTPCHSA-N 1 1 283.419 3.005 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCCO2)o1 ZINC000174320053 373290837 /nfs/dbraw/zinc/29/08/37/373290837.db2.gz CAFJVQQFTIIJGO-IRXDYDNUSA-N 1 1 282.343 3.161 20 30 CGEDMO C[C@]12CC[N@H+](Cc3cc(C#N)ccc3F)C[C@H]1C2(F)F ZINC000298453095 373332634 /nfs/dbraw/zinc/33/26/34/373332634.db2.gz ZZULBGYUESXIPY-KGLIPLIRSA-N 1 1 280.293 3.174 20 30 CGEDMO C[C@]12CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]1C2(F)F ZINC000298453095 373332639 /nfs/dbraw/zinc/33/26/39/373332639.db2.gz ZZULBGYUESXIPY-KGLIPLIRSA-N 1 1 280.293 3.174 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000299385504 373525736 /nfs/dbraw/zinc/52/57/36/373525736.db2.gz PJZFPJODPGTBFX-CJNGLKHVSA-N 1 1 258.365 3.120 20 30 CGEDMO C=C(C)CN1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000448551893 373586464 /nfs/dbraw/zinc/58/64/64/373586464.db2.gz DVNJFPONCIHWGV-INIZCTEOSA-N 1 1 258.409 3.016 20 30 CGEDMO C=C(C)C[N@H+]1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000448551893 373586470 /nfs/dbraw/zinc/58/64/70/373586470.db2.gz DVNJFPONCIHWGV-INIZCTEOSA-N 1 1 258.409 3.016 20 30 CGEDMO C=C(C)C[N@@H+]1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000448551893 373586476 /nfs/dbraw/zinc/58/64/76/373586476.db2.gz DVNJFPONCIHWGV-INIZCTEOSA-N 1 1 258.409 3.016 20 30 CGEDMO C=CC(C)(C)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000448776346 373639558 /nfs/dbraw/zinc/63/95/58/373639558.db2.gz XBOAEDAHSRDFJZ-OKILXGFUSA-N 1 1 280.456 3.071 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C[C@H]1CCCO1 ZINC000177102737 373655567 /nfs/dbraw/zinc/65/55/67/373655567.db2.gz UGIMSJDWWYOQFO-OAHLLOKOSA-N 1 1 297.320 3.168 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)cc1C#N ZINC000353644239 220218220 /nfs/dbraw/zinc/21/82/20/220218220.db2.gz NAGDHCCPLUENDV-QGZVFWFLSA-N 1 1 279.387 3.276 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@H](C)[C@H]2C)ccc1C#N ZINC000300115248 373620203 /nfs/dbraw/zinc/62/02/03/373620203.db2.gz DPTBLVKRDZLCJP-QWHCGFSZSA-N 1 1 258.365 3.187 20 30 CGEDMO C=CCN(CC=C)[C@@H](C[NH2+]Cc1ncc(C)s1)C(C)C ZINC000449073580 373659256 /nfs/dbraw/zinc/65/92/56/373659256.db2.gz JKSCHOYGNKZBJB-HNNXBMFYSA-N 1 1 293.480 3.240 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000177196908 373663937 /nfs/dbraw/zinc/66/39/37/373663937.db2.gz USRDYKMMJBJFIB-JKSUJKDBSA-N 1 1 272.417 3.418 20 30 CGEDMO C=C(C)CN1CCC([NH2+]Cc2ccc(C)cc2OC)CC1 ZINC000449127551 373664128 /nfs/dbraw/zinc/66/41/28/373664128.db2.gz XEIITXRCFNIRCF-UHFFFAOYSA-N 1 1 288.435 3.134 20 30 CGEDMO N#CCCn1cc(C[N@H+]2CC[C@H](F)C2)c(-c2ccccc2)n1 ZINC000449386053 373687324 /nfs/dbraw/zinc/68/73/24/373687324.db2.gz HHORBMVDOMUPOF-INIZCTEOSA-N 1 1 298.365 3.008 20 30 CGEDMO N#CCCn1cc(C[N@@H+]2CC[C@H](F)C2)c(-c2ccccc2)n1 ZINC000449386053 373687329 /nfs/dbraw/zinc/68/73/29/373687329.db2.gz HHORBMVDOMUPOF-INIZCTEOSA-N 1 1 298.365 3.008 20 30 CGEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2C#N)C12CCC2 ZINC000177675712 373699899 /nfs/dbraw/zinc/69/98/99/373699899.db2.gz OGPODSMFAHAOGC-DLBZAZTESA-N 1 1 284.403 3.338 20 30 CGEDMO CCCC[N@@H+](C)CCNc1c(Cl)cccc1C#N ZINC000301407698 373772184 /nfs/dbraw/zinc/77/21/84/373772184.db2.gz VYVHZRWDIYERIK-UHFFFAOYSA-N 1 1 265.788 3.355 20 30 CGEDMO C=CCC[C@@H]([NH2+]C1CCN(CC(C)C)CC1)C1CC1 ZINC000178674259 373804784 /nfs/dbraw/zinc/80/47/84/373804784.db2.gz PNNGLPROUWFKKY-QGZVFWFLSA-N 1 1 264.457 3.441 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000449522072 373821884 /nfs/dbraw/zinc/82/18/84/373821884.db2.gz VPGTUJRVNWREJS-MSOLQXFVSA-N 1 1 296.414 3.339 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(CC)cc1 ZINC000301492196 373778373 /nfs/dbraw/zinc/77/83/73/373778373.db2.gz DKWIAJBTHWVALB-AWEZNQCLSA-N 1 1 274.408 3.474 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@H](OCC)[C@@H](C)C2)c1 ZINC000449490735 373782426 /nfs/dbraw/zinc/78/24/26/373782426.db2.gz CQKLMKQLVZVBPW-YJBOKZPZSA-N 1 1 289.419 3.498 20 30 CGEDMO C=C(CC)CNC1CC[NH+](C2CCCCC2)CC1 ZINC000449736557 373863205 /nfs/dbraw/zinc/86/32/05/373863205.db2.gz VVIOLWVWUWWRHF-UHFFFAOYSA-N 1 1 250.430 3.339 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)o1 ZINC000179803624 373919276 /nfs/dbraw/zinc/91/92/76/373919276.db2.gz NQPUTICHKLZCJV-UHFFFAOYSA-N 1 1 280.327 3.146 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)o1 ZINC000179803624 373919280 /nfs/dbraw/zinc/91/92/80/373919280.db2.gz NQPUTICHKLZCJV-UHFFFAOYSA-N 1 1 280.327 3.146 20 30 CGEDMO CC[N@H+]1CCC[C@@H]1CNc1c(Cl)cccc1C#N ZINC000450217381 374004610 /nfs/dbraw/zinc/00/46/10/374004610.db2.gz PRJNXUKDHYOMOH-GFCCVEGCSA-N 1 1 263.772 3.108 20 30 CGEDMO C[C@H](c1ccccc1)[C@H](O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000450229032 374010416 /nfs/dbraw/zinc/01/04/16/374010416.db2.gz VYNXEVFYTNFMGZ-DNVCBOLYSA-N 1 1 294.398 3.155 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CCCCC1 ZINC000449937821 373976897 /nfs/dbraw/zinc/97/68/97/373976897.db2.gz DAZHYIFHBLBYEL-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO Cc1ccc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)nc1C#N ZINC000302826753 373977176 /nfs/dbraw/zinc/97/71/76/373977176.db2.gz NDYKOPKTCQGJBZ-QAPCUYQASA-N 1 1 292.386 3.119 20 30 CGEDMO C=CCC1(C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)CCCCC1 ZINC000450536746 374158893 /nfs/dbraw/zinc/15/88/93/374158893.db2.gz AZGMOCJXRDRCDU-LSDHHAIUSA-N 1 1 278.440 3.064 20 30 CGEDMO Cc1cc(NCCC[N@H+](C)Cc2ccccc2)cc(C#N)n1 ZINC000308280891 374162694 /nfs/dbraw/zinc/16/26/94/374162694.db2.gz UDGKEJHZJVSBDG-UHFFFAOYSA-N 1 1 294.402 3.196 20 30 CGEDMO C[C@@H](C#N)C[N@H+](C[C@@H]1CCCCC1(F)F)C1CC1 ZINC000450610580 374164590 /nfs/dbraw/zinc/16/45/90/374164590.db2.gz HBJFCOLXJIBEMI-RYUDHWBXSA-N 1 1 256.340 3.436 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C[C@@H]1CCCCC1(F)F)C1CC1 ZINC000450610580 374164603 /nfs/dbraw/zinc/16/46/03/374164603.db2.gz HBJFCOLXJIBEMI-RYUDHWBXSA-N 1 1 256.340 3.436 20 30 CGEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@H]3CCC[C@@H]32)c1 ZINC000316018345 374333175 /nfs/dbraw/zinc/33/31/75/374333175.db2.gz ZVGASBMAOSRBPH-WBVHZDCISA-N 1 1 297.402 3.151 20 30 CGEDMO C[C@](C#N)(NC(=O)C[N@H+]1CC(C)(C)[C@H]2CCC[C@H]21)C1CC1 ZINC000328853418 374388161 /nfs/dbraw/zinc/38/81/61/374388161.db2.gz JEVWQHKONHMSOF-JJRVBVJISA-N 1 1 289.423 3.146 20 30 CGEDMO CC1=CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC2CCCCC2)CC1 ZINC000328869303 374389982 /nfs/dbraw/zinc/38/99/82/374389982.db2.gz PBMZVGWTINULTQ-ZDUSSCGKSA-N 1 1 293.411 3.230 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1cccc2[nH]cnc21 ZINC000329918558 374439784 /nfs/dbraw/zinc/43/97/84/374439784.db2.gz ZVVKGLVPYJNPJZ-PHIMTYICSA-N 1 1 272.352 3.024 20 30 CGEDMO Cc1cc(Br)ccc1C[NH2+]C[C@@H](C)C#N ZINC000183829108 374461301 /nfs/dbraw/zinc/46/13/01/374461301.db2.gz HLDOFIJTDQZAEC-VIFPVBQESA-N 1 1 267.170 3.007 20 30 CGEDMO CC#CCCCC(=O)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000185406248 374657836 /nfs/dbraw/zinc/65/78/36/374657836.db2.gz SHWRWCXHSDLDOW-QGZVFWFLSA-N 1 1 296.414 3.191 20 30 CGEDMO Cc1nc2c(s1)[C@@H]([N@H+](C)CC1(C#N)CC1)CCC2 ZINC000334465055 374774179 /nfs/dbraw/zinc/77/41/79/374774179.db2.gz CDLVHWJCKRXIQN-LBPRGKRZSA-N 1 1 261.394 3.065 20 30 CGEDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)CC1(C#N)CC1)CCC2 ZINC000334465055 374774186 /nfs/dbraw/zinc/77/41/86/374774186.db2.gz CDLVHWJCKRXIQN-LBPRGKRZSA-N 1 1 261.394 3.065 20 30 CGEDMO Cc1cc(C[N@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)ccc1C#N ZINC000334552076 374849057 /nfs/dbraw/zinc/84/90/57/374849057.db2.gz DKDYCGXUUGODNW-IAQYHMDHSA-N 1 1 271.364 3.002 20 30 CGEDMO Cc1cc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)ccc1C#N ZINC000334552076 374849065 /nfs/dbraw/zinc/84/90/65/374849065.db2.gz DKDYCGXUUGODNW-IAQYHMDHSA-N 1 1 271.364 3.002 20 30 CGEDMO C[N@H+](Cc1ccc(Cl)cc1C#N)C[C@H]1CCCOC1 ZINC000187006810 374955139 /nfs/dbraw/zinc/95/51/39/374955139.db2.gz DTNNZKXWLXHQQF-GFCCVEGCSA-N 1 1 278.783 3.070 20 30 CGEDMO CC[N@H+](C[C@H](C)C#N)C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000470716928 374999734 /nfs/dbraw/zinc/99/97/34/374999734.db2.gz GOEGIDAOSZGDNZ-BEFAXECRSA-N 1 1 296.414 3.225 20 30 CGEDMO CC[N@@H+](C[C@H](C)C#N)C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000470716928 374999738 /nfs/dbraw/zinc/99/97/38/374999738.db2.gz GOEGIDAOSZGDNZ-BEFAXECRSA-N 1 1 296.414 3.225 20 30 CGEDMO C=C(C)C[N@@H+](CC(=O)N[C@H](C)C(C)C)Cc1ccccc1 ZINC000470916478 375001198 /nfs/dbraw/zinc/00/11/98/375001198.db2.gz BFUGVXOHRHDOJN-MRXNPFEDSA-N 1 1 288.435 3.225 20 30 CGEDMO C=C(C)C[N@H+](CC(=O)N[C@H](C)C(C)C)Cc1ccccc1 ZINC000470916478 375001202 /nfs/dbraw/zinc/00/12/02/375001202.db2.gz BFUGVXOHRHDOJN-MRXNPFEDSA-N 1 1 288.435 3.225 20 30 CGEDMO C=CCOCCC[N@H+]1CCO[C@@H](c2ccc(CC)cc2)C1 ZINC000470866356 375001714 /nfs/dbraw/zinc/00/17/14/375001714.db2.gz LYASDXQHPSINLY-GOSISDBHSA-N 1 1 289.419 3.215 20 30 CGEDMO CC[N@@H+](CCCCC#N)[C@@H](COC)Cc1ccccc1 ZINC000472340718 375019055 /nfs/dbraw/zinc/01/90/55/375019055.db2.gz FLLVGDXUSFBJSH-QGZVFWFLSA-N 1 1 274.408 3.260 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000472582892 375026901 /nfs/dbraw/zinc/02/69/01/375026901.db2.gz RYYNBQZUFLYQRQ-LSDHHAIUSA-N 1 1 253.430 3.462 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@H]1Cc1ccc(C)cc1 ZINC000472737771 375031827 /nfs/dbraw/zinc/03/18/27/375031827.db2.gz RCLKGFSYWOSSCL-ROUUACIJSA-N 1 1 273.420 3.329 20 30 CGEDMO C=CCCCC(=O)NC[C@@H]1CCCC[N@@H+]1CCCC ZINC000479583416 375153495 /nfs/dbraw/zinc/15/34/95/375153495.db2.gz XHDLCNSDRQAJMP-HNNXBMFYSA-N 1 1 266.429 3.114 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000481269801 375164181 /nfs/dbraw/zinc/16/41/81/375164181.db2.gz PIDYBCQUQWXXGB-INIZCTEOSA-N 1 1 291.435 3.232 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481705199 375165751 /nfs/dbraw/zinc/16/57/51/375165751.db2.gz SARZZJSGDXSRNM-KRWDZBQOSA-N 1 1 257.377 3.474 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c1 ZINC000335232039 375248076 /nfs/dbraw/zinc/24/80/76/375248076.db2.gz GCCCTSHOYXRPJD-GOSISDBHSA-N 1 1 296.414 3.339 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000188550411 375230791 /nfs/dbraw/zinc/23/07/91/375230791.db2.gz BXUPQRBSASSKFN-LZLYRXPVSA-N 1 1 286.419 3.150 20 30 CGEDMO Cc1cc(C[N@@H+]2CCOC[C@H]2CC(C)C)ccc1C#N ZINC000487869469 375280425 /nfs/dbraw/zinc/28/04/25/375280425.db2.gz LAPMXLHWOZQOLG-QGZVFWFLSA-N 1 1 272.392 3.114 20 30 CGEDMO COCC[N@@H+](Cc1ccc(F)cc1C#N)[C@H]1CCC[C@H]1C ZINC000487999178 375294376 /nfs/dbraw/zinc/29/43/76/375294376.db2.gz LEMRZAZPVHFCRH-DYVFJYSZSA-N 1 1 290.382 3.334 20 30 CGEDMO C=C(CC)C[N@@H+](CCO)Cc1cccc(Br)c1 ZINC000488246944 375307156 /nfs/dbraw/zinc/30/71/56/375307156.db2.gz FIRDFADEENAGIF-UHFFFAOYSA-N 1 1 298.224 3.210 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCSC3(CCCCC3)C2)C1 ZINC000335794001 375436984 /nfs/dbraw/zinc/43/69/84/375436984.db2.gz TYQOVVUCMJPJDL-KGLIPLIRSA-N 1 1 264.438 3.430 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000496628012 375546508 /nfs/dbraw/zinc/54/65/08/375546508.db2.gz UEXZDEMRHYJFMJ-UONOGXRCSA-N 1 1 282.428 3.188 20 30 CGEDMO Cc1cccc(C)c1OCCC[N@@H+](C)C[C@H](C)C#N ZINC000497017019 375571494 /nfs/dbraw/zinc/57/14/94/375571494.db2.gz MHAWKJZARHOMSU-CYBMUJFWSA-N 1 1 260.381 3.164 20 30 CGEDMO Cc1cccc(C)c1OCCC[N@H+](C)C[C@H](C)C#N ZINC000497017019 375571502 /nfs/dbraw/zinc/57/15/02/375571502.db2.gz MHAWKJZARHOMSU-CYBMUJFWSA-N 1 1 260.381 3.164 20 30 CGEDMO C=CC[C@@H](CO)C[NH2+][C@H](CCc1ccccc1)C(F)F ZINC000498746444 375628738 /nfs/dbraw/zinc/62/87/38/375628738.db2.gz FUUAMEYZUQKZDG-HUUCEWRRSA-N 1 1 283.362 3.027 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@@H]2C2CCCCC2)cc1C#N ZINC000191230343 375599150 /nfs/dbraw/zinc/59/91/50/375599150.db2.gz PIHGEYUHUDDQKK-QGZVFWFLSA-N 1 1 271.408 3.441 20 30 CGEDMO CC[N@@H+](Cc1cc(C#N)n(C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000191240416 375600701 /nfs/dbraw/zinc/60/07/01/375600701.db2.gz ACXXCBLDSNPYIC-AWEZNQCLSA-N 1 1 292.386 3.352 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2C[C@H](C)OC[C@@H]2CC)cc1 ZINC000505610923 375659688 /nfs/dbraw/zinc/65/96/88/375659688.db2.gz LGERMYGZFFDRPD-HOCLYGCPSA-N 1 1 275.392 3.251 20 30 CGEDMO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192080243 375696447 /nfs/dbraw/zinc/69/64/47/375696447.db2.gz UYEXUMFHMGEBDO-QGZVFWFLSA-N 1 1 283.350 3.373 20 30 CGEDMO Cn1cccc1[C@H]1CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192080243 375696452 /nfs/dbraw/zinc/69/64/52/375696452.db2.gz UYEXUMFHMGEBDO-QGZVFWFLSA-N 1 1 283.350 3.373 20 30 CGEDMO C[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192135296 375702122 /nfs/dbraw/zinc/70/21/22/375702122.db2.gz QBLADQOLDUSYRE-GFCCVEGCSA-N 1 1 269.323 3.285 20 30 CGEDMO C[C@@H](c1ccccn1)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192135527 375702778 /nfs/dbraw/zinc/70/27/78/375702778.db2.gz QWAUSTHTBTZZMA-LBPRGKRZSA-N 1 1 269.323 3.285 20 30 CGEDMO C[C@@H](c1ccccn1)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192135527 375702782 /nfs/dbraw/zinc/70/27/82/375702782.db2.gz QWAUSTHTBTZZMA-LBPRGKRZSA-N 1 1 269.323 3.285 20 30 CGEDMO C[C@H](c1ccccn1)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192135533 375702980 /nfs/dbraw/zinc/70/29/80/375702980.db2.gz QWAUSTHTBTZZMA-GFCCVEGCSA-N 1 1 269.323 3.285 20 30 CGEDMO C[C@H](c1ccccn1)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192135533 375702983 /nfs/dbraw/zinc/70/29/83/375702983.db2.gz QWAUSTHTBTZZMA-GFCCVEGCSA-N 1 1 269.323 3.285 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)CCS1 ZINC000192188057 375708765 /nfs/dbraw/zinc/70/87/65/375708765.db2.gz PVFSWQCMKMNRRQ-NSHDSACASA-N 1 1 264.369 3.025 20 30 CGEDMO C#CC[N@H+](C)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000192229118 375714001 /nfs/dbraw/zinc/71/40/01/375714001.db2.gz KPXXNXVSVWLYNA-UHFFFAOYSA-N 1 1 274.364 3.099 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c(Cl)c1 ZINC000336159189 375735385 /nfs/dbraw/zinc/73/53/85/375735385.db2.gz OSECVPXRDKSUEA-DZGCQCFKSA-N 1 1 290.794 3.070 20 30 CGEDMO C=C(C)CC[N@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000509674426 375781681 /nfs/dbraw/zinc/78/16/81/375781681.db2.gz XWTMPKIVFORYSH-UHFFFAOYSA-N 1 1 299.317 3.415 20 30 CGEDMO C=C(C)CC[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000509592559 375782218 /nfs/dbraw/zinc/78/22/18/375782218.db2.gz OPIJATOQFRHSJK-QGZVFWFLSA-N 1 1 259.393 3.286 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000508708670 375759305 /nfs/dbraw/zinc/75/93/05/375759305.db2.gz CUMCKLILVYHLGY-LSDHHAIUSA-N 1 1 286.419 3.251 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CCCCC1 ZINC000336298569 375774029 /nfs/dbraw/zinc/77/40/29/375774029.db2.gz DSCJPAZRABCDQS-QGZVFWFLSA-N 1 1 290.451 3.067 20 30 CGEDMO N#CC1(C[C@H](O)C[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000528394437 375900417 /nfs/dbraw/zinc/90/04/17/375900417.db2.gz HQIGESQPTLJWSN-LSDHHAIUSA-N 1 1 290.794 3.142 20 30 CGEDMO Cc1cccc(C2=CC[N@@H+](C[C@H](O)CC3(C#N)CC3)CC2)c1 ZINC000528432767 375902375 /nfs/dbraw/zinc/90/23/75/375902375.db2.gz SAJZBXIKGQNIEN-GOSISDBHSA-N 1 1 296.414 3.139 20 30 CGEDMO CCC1(CC)CCC[N@@H+](C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000528473098 375903974 /nfs/dbraw/zinc/90/39/74/375903974.db2.gz MCNHIHZIBGNNLT-HNNXBMFYSA-N 1 1 278.440 3.333 20 30 CGEDMO C[N@H+]1CCC[C@@H]1CCN1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000336858418 376014401 /nfs/dbraw/zinc/01/44/01/376014401.db2.gz YUNUIJSBIRATQL-QRVBRYPASA-N 1 1 297.446 3.242 20 30 CGEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)c2cc3ccccc3o2)C1=O ZINC000337136410 376092392 /nfs/dbraw/zinc/09/23/92/376092392.db2.gz ONEZXZDEYQAKPU-DZGCQCFKSA-N 1 1 298.386 3.213 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](CCC#N)C(C)C)cc1 ZINC000536638869 376107419 /nfs/dbraw/zinc/10/74/19/376107419.db2.gz CKXMPOLKVFSSJS-UHFFFAOYSA-N 1 1 258.365 3.375 20 30 CGEDMO C=CCOc1ccc(C[N@H+](CCC#N)C(C)C)cc1 ZINC000536638869 376107429 /nfs/dbraw/zinc/10/74/29/376107429.db2.gz CKXMPOLKVFSSJS-UHFFFAOYSA-N 1 1 258.365 3.375 20 30 CGEDMO C=CCCc1ccccc1NC(=O)NCC[N@H+](C)C(C)C ZINC000337597024 376231681 /nfs/dbraw/zinc/23/16/81/376231681.db2.gz KFFSJFGHKKIXMM-UHFFFAOYSA-N 1 1 289.423 3.267 20 30 CGEDMO C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC000338368937 376352294 /nfs/dbraw/zinc/35/22/94/376352294.db2.gz GXBAWPWUPWWKTP-LLVKDONJSA-N 1 1 299.305 3.456 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000539248644 376300048 /nfs/dbraw/zinc/30/00/48/376300048.db2.gz XMWHOLGMJZITRS-STQMWFEESA-N 1 1 278.362 3.300 20 30 CGEDMO C[N@H+]1CCC[C@H]2CN(c3cc(Cl)ccc3C#N)CC[C@H]21 ZINC000227335572 376389902 /nfs/dbraw/zinc/38/99/02/376389902.db2.gz DEJRJRKLKQFHSJ-DZGCQCFKSA-N 1 1 289.810 3.132 20 30 CGEDMO COc1cccc([C@@H](C)[NH2+]Cc2ccccc2C#N)c1 ZINC000229804695 376471987 /nfs/dbraw/zinc/47/19/87/376471987.db2.gz XKMJUWUBECANPB-CYBMUJFWSA-N 1 1 266.344 3.418 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccc(F)cc2)c1 ZINC000334286082 206310108 /nfs/dbraw/zinc/31/01/08/206310108.db2.gz BZRXDPSFMDAIMC-MSOLQXFVSA-N 1 1 296.345 3.005 20 30 CGEDMO N#Cc1cccc(C[N@H+]2C[C@H](O)C[C@H]2c2ccc(F)cc2)c1 ZINC000334286082 206310111 /nfs/dbraw/zinc/31/01/11/206310111.db2.gz BZRXDPSFMDAIMC-MSOLQXFVSA-N 1 1 296.345 3.005 20 30 CGEDMO C=CCOc1ccc(C[NH2+]Cc2ncc(C)s2)cc1 ZINC000230686325 376533230 /nfs/dbraw/zinc/53/32/30/376533230.db2.gz DYPUEPQNYUYFKZ-UHFFFAOYSA-N 1 1 274.389 3.306 20 30 CGEDMO C[N@@H+](CCCCC(C)(C)C#N)CC1CCOCC1 ZINC000234271705 376615239 /nfs/dbraw/zinc/61/52/39/376615239.db2.gz JSIRARCNMKQVEI-UHFFFAOYSA-N 1 1 252.402 3.065 20 30 CGEDMO C=CCCC[N@@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000339154062 376713512 /nfs/dbraw/zinc/71/35/12/376713512.db2.gz KTZCETGAWFLHGR-KRWDZBQOSA-N 1 1 259.393 3.226 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+](C)CC(C)(C)C)c1C ZINC000339252340 376741613 /nfs/dbraw/zinc/74/16/13/376741613.db2.gz FXFMMNMJLGGVHE-UHFFFAOYSA-N 1 1 276.424 3.452 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@H+](C)CC(C)(C)C)c1C ZINC000339252340 376741621 /nfs/dbraw/zinc/74/16/21/376741621.db2.gz FXFMMNMJLGGVHE-UHFFFAOYSA-N 1 1 276.424 3.452 20 30 CGEDMO CC[C@H](C)C[N@@H+](CC)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000245425191 376812805 /nfs/dbraw/zinc/81/28/05/376812805.db2.gz SUAMKEGKXXDUFQ-UONOGXRCSA-N 1 1 287.407 3.253 20 30 CGEDMO CC(C)[C@]1(CO)CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000339705254 376817421 /nfs/dbraw/zinc/81/74/21/376817421.db2.gz ZXBXVUDZZQINCI-QGZVFWFLSA-N 1 1 280.456 3.437 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)Cc1ccnc(OC)c1 ZINC000339869820 376870223 /nfs/dbraw/zinc/87/02/23/376870223.db2.gz UEYOMILIDXQCPM-UHFFFAOYSA-N 1 1 268.360 3.278 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccnc(OC)c1 ZINC000339869820 376870234 /nfs/dbraw/zinc/87/02/34/376870234.db2.gz UEYOMILIDXQCPM-UHFFFAOYSA-N 1 1 268.360 3.278 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000246025609 376954283 /nfs/dbraw/zinc/95/42/83/376954283.db2.gz OKLIOWDNTOTFJP-PKOBYXMFSA-N 1 1 296.414 3.220 20 30 CGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@]3(CC=CCC3)C2)cc1 ZINC000246030403 376954902 /nfs/dbraw/zinc/95/49/02/376954902.db2.gz NMHRIPBXYLIROD-RBUKOAKNSA-N 1 1 296.414 3.414 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1C ZINC000246065587 376960242 /nfs/dbraw/zinc/96/02/42/376960242.db2.gz WZVLMSBSUZKQTD-DOTOQJQBSA-N 1 1 259.393 3.459 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCS[C@H]3CCCC[C@H]32)c1 ZINC000246202075 376987284 /nfs/dbraw/zinc/98/72/84/376987284.db2.gz XCSYSJSTDRIBPL-CVEARBPZSA-N 1 1 272.417 3.418 20 30 CGEDMO Cc1n[nH]cc1C1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000559265081 377075170 /nfs/dbraw/zinc/07/51/70/377075170.db2.gz BFAIHKCKACTBGO-UHFFFAOYSA-N 1 1 298.365 3.109 20 30 CGEDMO C[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)[C@H]1C ZINC000246994512 377134769 /nfs/dbraw/zinc/13/47/69/377134769.db2.gz SUTPERJZSKOTQN-HOTGVXAUSA-N 1 1 299.418 3.054 20 30 CGEDMO CC[C@H]1C[N@H+]([C@H](C)c2ccc(C#N)cc2)CCS1 ZINC000247707287 377235829 /nfs/dbraw/zinc/23/58/29/377235829.db2.gz ZFPDRUFZPYMVMI-DOMZBBRYSA-N 1 1 260.406 3.447 20 30 CGEDMO CCC[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cn1 ZINC000562383155 377305935 /nfs/dbraw/zinc/30/59/35/377305935.db2.gz JYJHEXMAZBHDOI-UHFFFAOYSA-N 1 1 265.360 3.365 20 30 CGEDMO CN(CCC[NH2+][C@@H]1CCC[C@@H](C#N)C1)Cc1ccccc1 ZINC000248722418 377387586 /nfs/dbraw/zinc/38/75/86/377387586.db2.gz CKZLOLWNUCCUEM-QZTJIDSGSA-N 1 1 285.435 3.180 20 30 CGEDMO C[N@H+]1CC[C@@]2(CCN(c3cccc(C(F)F)c3C#N)C2)C1 ZINC000563422335 377461898 /nfs/dbraw/zinc/46/18/98/377461898.db2.gz CLVCQWHZBJUSLF-MRXNPFEDSA-N 1 1 291.345 3.028 20 30 CGEDMO C=C(CC)C[N@@H+](C[C@@H](C)c1ccccc1)[C@@H](C)CO ZINC000563948374 377473548 /nfs/dbraw/zinc/47/35/48/377473548.db2.gz OERLMCJUZLHGMG-CVEARBPZSA-N 1 1 261.409 3.439 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1CCCC[C@H]1O ZINC000249255895 377482538 /nfs/dbraw/zinc/48/25/38/377482538.db2.gz GJPGDQUTECYDPD-KBRIMQKVSA-N 1 1 272.392 3.102 20 30 CGEDMO Cn1ccnc1[C@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000565155283 377483324 /nfs/dbraw/zinc/48/33/24/377483324.db2.gz DABOPCQFCUSQPG-HNNXBMFYSA-N 1 1 286.423 3.074 20 30 CGEDMO C[C@H]1C[C@@H](Nc2ccc(C#N)c(C(F)(F)F)c2)CC[N@H+]1C ZINC000090795365 249029156 /nfs/dbraw/zinc/02/91/56/249029156.db2.gz UOSMPUCBQUAKGW-GWCFXTLKSA-N 1 1 297.324 3.472 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)Cc1cnccn1 ZINC000571761978 377543217 /nfs/dbraw/zinc/54/32/17/377543217.db2.gz OGESIJYVMAVGRQ-UHFFFAOYSA-N 1 1 253.349 3.055 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1cnccn1 ZINC000571761978 377543223 /nfs/dbraw/zinc/54/32/23/377543223.db2.gz OGESIJYVMAVGRQ-UHFFFAOYSA-N 1 1 253.349 3.055 20 30 CGEDMO C=CCCC[N@H+](C)CCc1nc2ccccc2n1C ZINC000265587159 190191797 /nfs/dbraw/zinc/19/17/97/190191797.db2.gz HFNISULCKAAVDQ-UHFFFAOYSA-N 1 1 257.381 3.014 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000253089176 377674375 /nfs/dbraw/zinc/67/43/75/377674375.db2.gz COAYNZSHMBDPIL-MGPQQGTHSA-N 1 1 272.392 3.433 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253099942 377676790 /nfs/dbraw/zinc/67/67/90/377676790.db2.gz VTEFJUSMFRUSKN-OAGGEKHMSA-N 1 1 278.440 3.332 20 30 CGEDMO C=CCCCCC[N@@H+](C)Cc1nnc2n1CCCCC2 ZINC000265837633 190211480 /nfs/dbraw/zinc/21/14/80/190211480.db2.gz VUXOGEDDFYKORC-UHFFFAOYSA-N 1 1 276.428 3.183 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1nnc2n1CCCCC2 ZINC000265837633 190211481 /nfs/dbraw/zinc/21/14/81/190211481.db2.gz VUXOGEDDFYKORC-UHFFFAOYSA-N 1 1 276.428 3.183 20 30 CGEDMO C=CCC[N@H+](C)CCC(=O)Nc1ccc(Cl)cc1 ZINC000342729390 377760399 /nfs/dbraw/zinc/76/03/99/377760399.db2.gz DSRFPISFGBWJSZ-UHFFFAOYSA-N 1 1 266.772 3.177 20 30 CGEDMO C=CCC[N@H+](C)CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000342729508 377760761 /nfs/dbraw/zinc/76/07/61/377760761.db2.gz FMMSBSHOEFZTIR-QGZVFWFLSA-N 1 1 286.419 3.078 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(CC#N)cc2)C[C@@H]1n1ccnc1 ZINC000342756727 377774938 /nfs/dbraw/zinc/77/49/38/377774938.db2.gz VHQOTHIHPGTEQO-QAPCUYQASA-N 1 1 294.402 3.032 20 30 CGEDMO CCC(CC)[C@H](C[NH2+]Cc1ccc(C#N)cc1F)N(C)C ZINC000343289359 377948013 /nfs/dbraw/zinc/94/80/13/377948013.db2.gz PSNRBMBOLSQHIF-KRWDZBQOSA-N 1 1 291.414 3.153 20 30 CGEDMO CCO[C@H]1C[C@H]([N@@H+](C)CC2(C#N)CC2)C12CCCCC2 ZINC000343322531 377952964 /nfs/dbraw/zinc/95/29/64/377952964.db2.gz QPUWZDPKPJAHHM-GJZGRUSLSA-N 1 1 276.424 3.350 20 30 CGEDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000343331566 377954539 /nfs/dbraw/zinc/95/45/39/377954539.db2.gz CJRFUTYUECETNT-CJNGLKHVSA-N 1 1 282.391 3.216 20 30 CGEDMO C[C@H]1CCCC[C@H]1[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000343331568 377954818 /nfs/dbraw/zinc/95/48/18/377954818.db2.gz CJRFUTYUECETNT-XJKSGUPXSA-N 1 1 282.391 3.216 20 30 CGEDMO COC1CCC([N@@H+](C)Cc2ccc(CC#N)cc2)CC1 ZINC000343553255 378017264 /nfs/dbraw/zinc/01/72/64/378017264.db2.gz PLSNLYQGPXNLTF-UHFFFAOYSA-N 1 1 272.392 3.142 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(OCC=C)c(OC)c1 ZINC000343438288 377979486 /nfs/dbraw/zinc/97/94/86/377979486.db2.gz FBMJKMKKWJORDD-UHFFFAOYSA-N 1 1 261.365 3.268 20 30 CGEDMO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000264544390 377988799 /nfs/dbraw/zinc/98/87/99/377988799.db2.gz ISNPKFJYZOJXET-SFHVURJKSA-N 1 1 295.386 3.265 20 30 CGEDMO CC(C)CCO[C@@H]1CC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000343581467 378028234 /nfs/dbraw/zinc/02/82/34/378028234.db2.gz QHMWFSGJSRJZGX-GOSISDBHSA-N 1 1 286.419 3.390 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2Cc2ccccc2)nc1 ZINC000578586201 378083255 /nfs/dbraw/zinc/08/32/55/378083255.db2.gz MCMZXSWTMYLLMH-SFHVURJKSA-N 1 1 277.371 3.160 20 30 CGEDMO C=CCC1(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)CCC1 ZINC000577999632 378028533 /nfs/dbraw/zinc/02/85/33/378028533.db2.gz MPJUZHYELQBJQF-UHFFFAOYSA-N 1 1 292.467 3.312 20 30 CGEDMO C[N@@H+](CCCC(C)(C)C#N)[C@@H](CCO)c1ccccc1 ZINC000266929653 378029446 /nfs/dbraw/zinc/02/94/46/378029446.db2.gz LXYJMQGZSYUUIC-INIZCTEOSA-N 1 1 274.408 3.372 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](CCOC)[C@H](C)c1ccccc1 ZINC000268532189 378070427 /nfs/dbraw/zinc/07/04/27/378070427.db2.gz IVCUJUCAQOSDJT-NVXWUHKLSA-N 1 1 277.408 3.023 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)CCc1nc2ccccc2n1C ZINC000266717999 378025571 /nfs/dbraw/zinc/02/55/71/378025571.db2.gz GPDQQAAXKCXNDV-UHFFFAOYSA-N 1 1 298.434 3.378 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)CCc1nc2ccccc2n1C ZINC000266717999 378025577 /nfs/dbraw/zinc/02/55/77/378025577.db2.gz GPDQQAAXKCXNDV-UHFFFAOYSA-N 1 1 298.434 3.378 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000578993175 378120360 /nfs/dbraw/zinc/12/03/60/378120360.db2.gz SIGAUQZTNCMPSD-LSDHHAIUSA-N 1 1 299.374 3.477 20 30 CGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC3(C2)CCCCC3)cc1 ZINC000268686130 378089417 /nfs/dbraw/zinc/08/94/17/378089417.db2.gz NPDBPZPMROBLAL-KRWDZBQOSA-N 1 1 284.403 3.248 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@@H]1CN1CCC(CCC#N)CC1 ZINC000579349776 378152514 /nfs/dbraw/zinc/15/25/14/378152514.db2.gz WASSLIIDYFJFFF-QGZVFWFLSA-N 1 1 277.456 3.265 20 30 CGEDMO CC(C)N1CCCC[C@@H]1C[NH+]1CCC(CCC#N)CC1 ZINC000579349776 378152520 /nfs/dbraw/zinc/15/25/20/378152520.db2.gz WASSLIIDYFJFFF-QGZVFWFLSA-N 1 1 277.456 3.265 20 30 CGEDMO CC[N@H+]1CC[C@H](N(C)Cc2cc(F)ccc2C#N)C[C@@H]1C ZINC000345889645 378401092 /nfs/dbraw/zinc/40/10/92/378401092.db2.gz KYIHFUXQZSNVSX-GUYCJALGSA-N 1 1 289.398 3.002 20 30 CGEDMO CC(C)[C@H]([NH2+]CCC(C)(C)C#N)c1nc(C2CC2)no1 ZINC000345954759 378421366 /nfs/dbraw/zinc/42/13/66/378421366.db2.gz KIBCNARMMAFKHK-LBPRGKRZSA-N 1 1 276.384 3.174 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000271032951 378433270 /nfs/dbraw/zinc/43/32/70/378433270.db2.gz IGQWSDKDCKBOCN-INIZCTEOSA-N 1 1 272.392 3.390 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cc(OC)cc(C)n1 ZINC000272311703 378610723 /nfs/dbraw/zinc/61/07/23/378610723.db2.gz RRSMZRAIQMNTDY-UHFFFAOYSA-N 1 1 286.375 3.222 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCC1(C#N)CC1 ZINC000346545715 378613442 /nfs/dbraw/zinc/61/34/42/378613442.db2.gz ZFMMLDQSTWHRAM-VQFNDLOPSA-N 1 1 297.446 3.036 20 30 CGEDMO C=CCOCCC[N@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000347969435 378742332 /nfs/dbraw/zinc/74/23/32/378742332.db2.gz LTGHFURGIVOZJG-RDJZCZTQSA-N 1 1 275.392 3.041 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)N(CC(C)C)CC(C)C ZINC000346969456 378702267 /nfs/dbraw/zinc/70/22/67/378702267.db2.gz XCCFHGNVXXGHFC-UHFFFAOYSA-N 1 1 268.445 3.025 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)Nc1ccc2c(c1)CCC2 ZINC000346971820 378702563 /nfs/dbraw/zinc/70/25/63/378702563.db2.gz WTIRWPNQPQLPGV-UHFFFAOYSA-N 1 1 272.392 3.012 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000347279942 378714446 /nfs/dbraw/zinc/71/44/46/378714446.db2.gz NGXMOEUWHUATDT-KGLIPLIRSA-N 1 1 272.392 3.435 20 30 CGEDMO N#CCCC[N@@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000347706708 378725296 /nfs/dbraw/zinc/72/52/96/378725296.db2.gz LXTAYWYNJMUFAL-UHFFFAOYSA-N 1 1 277.799 3.156 20 30 CGEDMO C=CCOCCC[NH2+][C@H](C)c1nc(C2CCCCC2)no1 ZINC000348052764 378768407 /nfs/dbraw/zinc/76/84/07/378768407.db2.gz SWQAYRFSJYTAAW-CYBMUJFWSA-N 1 1 293.411 3.361 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCCC2(CCC2)C1 ZINC000348172850 378822366 /nfs/dbraw/zinc/82/23/66/378822366.db2.gz ZQJZMERRCVCTEI-UHFFFAOYSA-N 1 1 258.340 3.463 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCCC2(CCC2)C1 ZINC000348172850 378822371 /nfs/dbraw/zinc/82/23/71/378822371.db2.gz ZQJZMERRCVCTEI-UHFFFAOYSA-N 1 1 258.340 3.463 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCCC3(CCC3)C2)c1F ZINC000348177764 378823745 /nfs/dbraw/zinc/82/37/45/378823745.db2.gz HMYKYLHNTUVZPX-UHFFFAOYSA-N 1 1 258.340 3.463 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)C[C@@H](O)COCC(C)C ZINC000348207464 378840291 /nfs/dbraw/zinc/84/02/91/378840291.db2.gz WQNIHYXUPRQUQI-GOSISDBHSA-N 1 1 291.435 3.098 20 30 CGEDMO C[N@@H+]1CC=C(CNc2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000274757440 378889366 /nfs/dbraw/zinc/88/93/66/378889366.db2.gz QSSAIDSDXOYGRC-UHFFFAOYSA-N 1 1 295.308 3.251 20 30 CGEDMO Cn1cc(C[N@H+]2CC[C@H](C(F)(F)F)C2(C)C)cc1C#N ZINC000276770662 378994354 /nfs/dbraw/zinc/99/43/54/378994354.db2.gz ORDUKVOEMSWIOZ-LBPRGKRZSA-N 1 1 285.313 3.060 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccc2nccnc2c1 ZINC000639112093 379036436 /nfs/dbraw/zinc/03/64/36/379036436.db2.gz NNEZUOTVVCMZIE-AWEZNQCLSA-N 1 1 253.349 3.170 20 30 CGEDMO C[C@H]1C[C@H](c2ccccc2)[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000348837909 379077873 /nfs/dbraw/zinc/07/78/73/379077873.db2.gz LBGVTNNAXJSRLB-KBXCAEBGSA-N 1 1 279.387 3.480 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H](OC)[C@H](C)CC ZINC000639162916 379080460 /nfs/dbraw/zinc/08/04/60/379080460.db2.gz UQPPSKFPYMINFC-PBHICJAKSA-N 1 1 295.423 3.211 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000348950349 379122483 /nfs/dbraw/zinc/12/24/83/379122483.db2.gz PMELJGMBJDWLGC-OAHLLOKOSA-N 1 1 264.413 3.207 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(C)C)C1=O ZINC000192528201 542266497 /nfs/dbraw/zinc/26/64/97/542266497.db2.gz BOLCJKOCWDZJRZ-KRWDZBQOSA-N 1 1 286.419 3.074 20 30 CGEDMO C[N@H+](Cc1ccc(O)cc1)Cc1ccc(C#N)cc1F ZINC000349409590 379271528 /nfs/dbraw/zinc/27/15/28/379271528.db2.gz RJWGCINWRXSUPZ-UHFFFAOYSA-N 1 1 270.307 3.035 20 30 CGEDMO C[N@@H+](Cc1ccc(O)cc1)Cc1ccc(C#N)cc1F ZINC000349409590 379271530 /nfs/dbraw/zinc/27/15/30/379271530.db2.gz RJWGCINWRXSUPZ-UHFFFAOYSA-N 1 1 270.307 3.035 20 30 CGEDMO CC[C@@H](NCCC[N@H+](C)C(C)C)c1ccc(C#N)cc1 ZINC000278298215 379338681 /nfs/dbraw/zinc/33/86/81/379338681.db2.gz RPEHNRFVWVXLHO-QGZVFWFLSA-N 1 1 273.424 3.329 20 30 CGEDMO CC[C@@H](NCCC[N@@H+](C)C(C)C)c1ccc(C#N)cc1 ZINC000278298215 379338691 /nfs/dbraw/zinc/33/86/91/379338691.db2.gz RPEHNRFVWVXLHO-QGZVFWFLSA-N 1 1 273.424 3.329 20 30 CGEDMO CC[C@@H]([NH2+]Cc1cc(C)no1)c1ccc(C#N)cc1 ZINC000278908598 194207088 /nfs/dbraw/zinc/20/70/88/194207088.db2.gz ZZIAMCFICHYQGS-OAHLLOKOSA-N 1 1 255.321 3.096 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(C(F)F)nc2)C1 ZINC000639346947 379303177 /nfs/dbraw/zinc/30/31/77/379303177.db2.gz GKDCSBFISIQWLA-NSHDSACASA-N 1 1 252.308 3.417 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1F)[C@@H](CCO)c1ccccc1 ZINC000266609165 190271011 /nfs/dbraw/zinc/27/10/11/190271011.db2.gz VIENGRKCCBWLSE-SFHVURJKSA-N 1 1 298.361 3.253 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1F)[C@@H](CCO)c1ccccc1 ZINC000266609165 190271012 /nfs/dbraw/zinc/27/10/12/190271012.db2.gz VIENGRKCCBWLSE-SFHVURJKSA-N 1 1 298.361 3.253 20 30 CGEDMO N#Cc1ccc(OCC[N@H+]2CC[C@H](c3ccco3)C2)cc1 ZINC000374002019 379358346 /nfs/dbraw/zinc/35/83/46/379358346.db2.gz JNCXPIAPUZEINC-HNNXBMFYSA-N 1 1 282.343 3.020 20 30 CGEDMO Cc1cc(C#N)cc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)n1 ZINC000376401286 379549983 /nfs/dbraw/zinc/54/99/83/379549983.db2.gz AAPDNMJVJBXLKP-SJLPKXTDSA-N 1 1 292.386 3.119 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)Cc2ccccc2CC)n1 ZINC000279734646 379504292 /nfs/dbraw/zinc/50/42/92/379504292.db2.gz NUDOLYXZLRHTTB-UHFFFAOYSA-N 1 1 281.403 3.101 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)Cc2ccccc2CC)n1 ZINC000279734646 379504304 /nfs/dbraw/zinc/50/43/04/379504304.db2.gz NUDOLYXZLRHTTB-UHFFFAOYSA-N 1 1 281.403 3.101 20 30 CGEDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2CCCCC(C)(C)C#N ZINC000375785528 379509927 /nfs/dbraw/zinc/50/99/27/379509927.db2.gz AZUWBFCYJXAJAP-RFBLXINOSA-N 1 1 276.424 3.062 20 30 CGEDMO CC[N@@H+](CCCc1nc(C)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000266878385 190286812 /nfs/dbraw/zinc/28/68/12/190286812.db2.gz NIZJJHCGDPOKBT-ZDUSSCGKSA-N 1 1 298.390 3.265 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000639798348 379591666 /nfs/dbraw/zinc/59/16/66/379591666.db2.gz XHNNYLUBEYKRKZ-CQSZACIVSA-N 1 1 259.397 3.254 20 30 CGEDMO CCCCCCCC(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000731873227 572431167 /nfs/dbraw/zinc/43/11/67/572431167.db2.gz KVIUNTZXBCHKGN-HNNXBMFYSA-N 1 1 268.445 3.338 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCc2c(F)cc(F)cc2[C@H]1C ZINC000351741026 379742662 /nfs/dbraw/zinc/74/26/62/379742662.db2.gz QGOHORANYNRJJH-YPMHNXCESA-N 1 1 281.346 3.211 20 30 CGEDMO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC000280746869 379778510 /nfs/dbraw/zinc/77/85/10/379778510.db2.gz XLQCOGJLGGWTKF-WBVHZDCISA-N 1 1 297.402 3.148 20 30 CGEDMO N#CC1(F)CC[NH+](CCc2ccccc2Cl)CC1 ZINC000352489589 379836482 /nfs/dbraw/zinc/83/64/82/379836482.db2.gz BTWOFDMIBCYVFZ-UHFFFAOYSA-N 1 1 266.747 3.210 20 30 CGEDMO COc1cc(C[N@@H+](C)[C@H](C)c2ccccn2)ccc1C#N ZINC000282175496 379867051 /nfs/dbraw/zinc/86/70/51/379867051.db2.gz FIHCKQBBFMVEFX-CYBMUJFWSA-N 1 1 281.359 3.155 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000352448278 379818431 /nfs/dbraw/zinc/81/84/31/379818431.db2.gz QVBZBLYCJFOTCI-ZWKOTPCHSA-N 1 1 296.414 3.286 20 30 CGEDMO C[C@@H]1C[C@@H](C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)CCO1 ZINC000352700590 379914834 /nfs/dbraw/zinc/91/48/34/379914834.db2.gz SNMRXZAHFWDXCU-PBHICJAKSA-N 1 1 284.403 3.338 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2ccco2)c(C(F)(F)F)c1 ZINC000352841880 379996676 /nfs/dbraw/zinc/99/66/76/379996676.db2.gz SZHXDEVKUYGKPP-UHFFFAOYSA-N 1 1 280.249 3.460 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cccnc1C ZINC000352935525 380047709 /nfs/dbraw/zinc/04/77/09/380047709.db2.gz ZJZJVYZQCPKOHV-UHFFFAOYSA-N 1 1 256.349 3.214 20 30 CGEDMO CN(CCC1(C#N)CCCCC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000411281447 380139184 /nfs/dbraw/zinc/13/91/84/380139184.db2.gz HMSUNBABZGLCBF-MRXNPFEDSA-N 1 1 277.456 3.124 20 30 CGEDMO CN(CCC1(C#N)CCCCC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000411281447 380139186 /nfs/dbraw/zinc/13/91/86/380139186.db2.gz HMSUNBABZGLCBF-MRXNPFEDSA-N 1 1 277.456 3.124 20 30 CGEDMO CN1CCC[C@@H](C[N@H+](C)CCC2(C#N)CCCCC2)C1 ZINC000411281447 380139191 /nfs/dbraw/zinc/13/91/91/380139191.db2.gz HMSUNBABZGLCBF-MRXNPFEDSA-N 1 1 277.456 3.124 20 30 CGEDMO CN1CCC[C@@H](C[N@@H+](C)CCC2(C#N)CCCCC2)C1 ZINC000411281447 380139199 /nfs/dbraw/zinc/13/91/99/380139199.db2.gz HMSUNBABZGLCBF-MRXNPFEDSA-N 1 1 277.456 3.124 20 30 CGEDMO CCOC[C@@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411299917 380139457 /nfs/dbraw/zinc/13/94/57/380139457.db2.gz BDWTXBDHXVHEAA-OAHLLOKOSA-N 1 1 264.413 3.209 20 30 CGEDMO C[C@H]1CCC[C@@H](CO)[N@H+]1CCC1(C#N)CCCCC1 ZINC000411397149 380141956 /nfs/dbraw/zinc/14/19/56/380141956.db2.gz HDGYADUBQCHSHC-GJZGRUSLSA-N 1 1 264.413 3.086 20 30 CGEDMO C=CCC1(C(=O)N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)CCCC1 ZINC000410631750 380108061 /nfs/dbraw/zinc/10/80/61/380108061.db2.gz ANFJUFCHJDUYHQ-GJZGRUSLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCOc1cccc(CN[C@@H](C)C[N@@H+](C)C(C)C)c1 ZINC000353099910 380114065 /nfs/dbraw/zinc/11/40/65/380114065.db2.gz YJEIUBNNZSBRKY-HNNXBMFYSA-N 1 1 276.424 3.070 20 30 CGEDMO C=CCOc1cccc(C[NH2+][C@@H](C)CN(C)C(C)C)c1 ZINC000353099910 380114067 /nfs/dbraw/zinc/11/40/67/380114067.db2.gz YJEIUBNNZSBRKY-HNNXBMFYSA-N 1 1 276.424 3.070 20 30 CGEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CC[C@H](C#N)C1 ZINC000411191819 380133234 /nfs/dbraw/zinc/13/32/34/380133234.db2.gz KHYMBLDMEUDZFD-DZGCQCFKSA-N 1 1 285.347 3.275 20 30 CGEDMO C[N@@H+](CCC1(C#N)CCCCC1)C[C@H]1CCCCO1 ZINC000411192169 380134661 /nfs/dbraw/zinc/13/46/61/380134661.db2.gz QPRUCWXUPPAASZ-OAHLLOKOSA-N 1 1 264.413 3.351 20 30 CGEDMO C=C1CC[NH+](Cc2cc3c(cc2SC)OCCO3)CC1 ZINC000353329231 380203524 /nfs/dbraw/zinc/20/35/24/380203524.db2.gz KACPYRIQYGEJIT-UHFFFAOYSA-N 1 1 291.416 3.332 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000411546571 380151271 /nfs/dbraw/zinc/15/12/71/380151271.db2.gz TXCOMZNYLSTMKX-NWDGAFQWSA-N 1 1 264.319 3.446 20 30 CGEDMO CCC[N@H+]1CCC[C@@H]1CN[C@@H](C)c1ccc(C#N)cc1F ZINC000353974156 380259153 /nfs/dbraw/zinc/25/91/53/380259153.db2.gz RNYOAYRBWLTERX-DZGCQCFKSA-N 1 1 289.398 3.222 20 30 CGEDMO CCCN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000353974156 380259157 /nfs/dbraw/zinc/25/91/57/380259157.db2.gz RNYOAYRBWLTERX-DZGCQCFKSA-N 1 1 289.398 3.222 20 30 CGEDMO CCC[N@@H+]1CCC[C@@H]1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000353974102 380259337 /nfs/dbraw/zinc/25/93/37/380259337.db2.gz RAJXWNMEIWOMAK-WMLDXEAASA-N 1 1 271.408 3.083 20 30 CGEDMO CCC[N@H+]1CCC[C@@H]1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000353974102 380259340 /nfs/dbraw/zinc/25/93/40/380259340.db2.gz RAJXWNMEIWOMAK-WMLDXEAASA-N 1 1 271.408 3.083 20 30 CGEDMO COc1cc(C[N@H+](C)CC(C)(C)C#N)ccc1OC(C)C ZINC000354039090 380293995 /nfs/dbraw/zinc/29/39/95/380293995.db2.gz MKQZRUIATBNOSX-UHFFFAOYSA-N 1 1 290.407 3.464 20 30 CGEDMO COc1cc(C[N@@H+](C)CC(C)(C)C#N)ccc1OC(C)C ZINC000354039090 380293998 /nfs/dbraw/zinc/29/39/98/380293998.db2.gz MKQZRUIATBNOSX-UHFFFAOYSA-N 1 1 290.407 3.464 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000644598168 380457350 /nfs/dbraw/zinc/45/73/50/380457350.db2.gz NKYDQBHKYXCFRP-UHFFFAOYSA-N 1 1 297.402 3.399 20 30 CGEDMO CC[C@H]1CCCC[N@H+]1CCNc1nc(C)cc(C)c1C#N ZINC000354642510 380510995 /nfs/dbraw/zinc/51/09/95/380510995.db2.gz ZRFZFSYSUNENSM-HNNXBMFYSA-N 1 1 286.423 3.247 20 30 CGEDMO CC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)CCC1CC1 ZINC000355049411 380568936 /nfs/dbraw/zinc/56/89/36/380568936.db2.gz DGMGOXSSOHSGTI-UHFFFAOYSA-N 1 1 285.391 3.009 20 30 CGEDMO COc1cc(OCC[N@@H+](C)Cc2ccccc2)ccc1C#N ZINC000418974746 380755579 /nfs/dbraw/zinc/75/55/79/380755579.db2.gz PXRGBEDFILMGOO-UHFFFAOYSA-N 1 1 296.370 3.078 20 30 CGEDMO C=CCCC1(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000355790352 380779313 /nfs/dbraw/zinc/77/93/13/380779313.db2.gz HOAOSTLJMZEAOA-GASCZTMLSA-N 1 1 278.440 3.112 20 30 CGEDMO N#Cc1ccc(F)c(C[NH+]2CCC(OC3CCC3)CC2)c1 ZINC000419281320 380794060 /nfs/dbraw/zinc/79/40/60/380794060.db2.gz GJSXHAPKDQLBEO-UHFFFAOYSA-N 1 1 288.366 3.231 20 30 CGEDMO C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](CCC(C)(C)C#N)C1 ZINC000421024305 380871432 /nfs/dbraw/zinc/87/14/32/380871432.db2.gz PXKPZXWMUVYVBQ-KBPBESRZSA-N 1 1 294.439 3.226 20 30 CGEDMO C=CCOCC[N@H+](CCCC)[C@@H]1CCc2ncsc2C1 ZINC000646130349 380848604 /nfs/dbraw/zinc/84/86/04/380848604.db2.gz PTGNTYWIPLBDCW-CQSZACIVSA-N 1 1 294.464 3.305 20 30 CGEDMO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1CCC(C)(C)C#N ZINC000420929273 380862208 /nfs/dbraw/zinc/86/22/08/380862208.db2.gz QHDSCGOONLYXMX-KGLIPLIRSA-N 1 1 294.439 3.368 20 30 CGEDMO CCc1noc(CC)c1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421341036 380882675 /nfs/dbraw/zinc/88/26/75/380882675.db2.gz KLACDROJONNWBI-UHFFFAOYSA-N 1 1 287.338 3.100 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)[C@H]1C ZINC000357716873 381263105 /nfs/dbraw/zinc/26/31/05/381263105.db2.gz PEMKIXRWZYSIHH-KBPBESRZSA-N 1 1 267.376 3.431 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000358887004 381331067 /nfs/dbraw/zinc/33/10/67/381331067.db2.gz KQPIGYSQTCADQW-OAHLLOKOSA-N 1 1 269.392 3.467 20 30 CGEDMO Cc1ccncc1C[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000361410376 381737639 /nfs/dbraw/zinc/73/76/39/381737639.db2.gz MWWYDWFKGHPGOO-UHFFFAOYSA-N 1 1 295.386 3.163 20 30 CGEDMO CC[C@H](C)[C@H]1CCCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000361550654 381798535 /nfs/dbraw/zinc/79/85/35/381798535.db2.gz GGDKIUDWFMOEDF-XJKSGUPXSA-N 1 1 259.397 3.297 20 30 CGEDMO N#Cc1cccc(NC(=O)CC[N@@H+](CC2CC2)C2CCC2)c1 ZINC000361588527 381820966 /nfs/dbraw/zinc/82/09/66/381820966.db2.gz YNNZLSXUIMJBBJ-UHFFFAOYSA-N 1 1 297.402 3.151 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+]1CCO[C@H](c2cnn(CC)c2)C1 ZINC000362091975 381882700 /nfs/dbraw/zinc/88/27/00/381882700.db2.gz ZJIUYMBUDRIBND-HOCLYGCPSA-N 1 1 277.412 3.021 20 30 CGEDMO CCn1c2cc(F)ccc2[nH+]c1NCc1ccc(C#N)cc1 ZINC000361637090 381848840 /nfs/dbraw/zinc/84/88/40/381848840.db2.gz SCWXFUOMTGNHMH-UHFFFAOYSA-N 1 1 294.333 3.101 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000361648891 381857843 /nfs/dbraw/zinc/85/78/43/381857843.db2.gz VINUEFSLZJZICU-XHSDSOJGSA-N 1 1 267.413 3.001 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000362141280 381886597 /nfs/dbraw/zinc/88/65/97/381886597.db2.gz YRZCHUMQTUGWDS-GFCCVEGCSA-N 1 1 272.323 3.170 20 30 CGEDMO C=CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000361775362 381868392 /nfs/dbraw/zinc/86/83/92/381868392.db2.gz FUSAFYBNVWUNQI-ROUUACIJSA-N 1 1 298.430 3.041 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)CCOc1ccccc1 ZINC000362171088 381895343 /nfs/dbraw/zinc/89/53/43/381895343.db2.gz VVPHDOWXNDKDDS-UHFFFAOYSA-N 1 1 260.381 3.327 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)CCOc1ccccc1 ZINC000362171088 381895345 /nfs/dbraw/zinc/89/53/45/381895345.db2.gz VVPHDOWXNDKDDS-UHFFFAOYSA-N 1 1 260.381 3.327 20 30 CGEDMO C[C@@H](N[C@@H]1CC[N@H+](C2CCCC2)C1)c1cccc(C#N)c1 ZINC000362237398 381915883 /nfs/dbraw/zinc/91/58/83/381915883.db2.gz OKLGMOJURQXCBF-RHSMWYFYSA-N 1 1 283.419 3.226 20 30 CGEDMO C[C@@H]([NH2+][C@@H]1CCN(C2CCCC2)C1)c1cccc(C#N)c1 ZINC000362237398 381915890 /nfs/dbraw/zinc/91/58/90/381915890.db2.gz OKLGMOJURQXCBF-RHSMWYFYSA-N 1 1 283.419 3.226 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000368998978 382384850 /nfs/dbraw/zinc/38/48/50/382384850.db2.gz CPSGJMWOBMJHGW-OAHLLOKOSA-N 1 1 286.423 3.376 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccc(OCCC)cc1 ZINC000574857705 335052518 /nfs/dbraw/zinc/05/25/18/335052518.db2.gz NKEOMWVLLONUAB-UHFFFAOYSA-N 1 1 263.381 3.110 20 30 CGEDMO C[C@H]1[C@@H](Nc2ccc(C#N)cn2)CC[N@H+]1Cc1ccccc1 ZINC000288367628 197060042 /nfs/dbraw/zinc/06/00/42/197060042.db2.gz YGAYZGQSRHLETJ-YOEHRIQHSA-N 1 1 292.386 3.028 20 30 CGEDMO N#Cc1ccc(NC(=O)C[N@H+]2CCCC3(CCCC3)C2)cc1 ZINC000333729511 542452906 /nfs/dbraw/zinc/45/29/06/542452906.db2.gz PIRZQACSVJDPFM-UHFFFAOYSA-N 1 1 297.402 3.153 20 30 CGEDMO C=CC[N@H+](CCOCC(F)F)Cc1cccs1 ZINC000188592385 262321823 /nfs/dbraw/zinc/32/18/23/262321823.db2.gz RHHYWRLBIOWSEI-UHFFFAOYSA-N 1 1 261.337 3.018 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC=C(c2ccco2)C1 ZINC000367132748 533267929 /nfs/dbraw/zinc/26/79/29/533267929.db2.gz FZANPBDVXODQHT-UHFFFAOYSA-N 1 1 294.354 3.449 20 30 CGEDMO C[C@@H](C1CC1)n1cc(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)cn1 ZINC000330217661 533370707 /nfs/dbraw/zinc/37/07/07/533370707.db2.gz IQGAQRQOMOSRBF-NHYWBVRUSA-N 1 1 288.395 3.069 20 30 CGEDMO C[C@@H](C1CC1)n1cc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)cn1 ZINC000330217661 533370713 /nfs/dbraw/zinc/37/07/13/533370713.db2.gz IQGAQRQOMOSRBF-NHYWBVRUSA-N 1 1 288.395 3.069 20 30 CGEDMO C[C@@H](NCC[N@H+]1CCC[C@H](C)C1)c1ccc(C#N)cc1F ZINC000358571630 533395393 /nfs/dbraw/zinc/39/53/93/533395393.db2.gz OWECOJXHNNMJBZ-UONOGXRCSA-N 1 1 289.398 3.080 20 30 CGEDMO C[C@@H]([NH2+]CCN1CCC[C@H](C)C1)c1ccc(C#N)cc1F ZINC000358571630 533395394 /nfs/dbraw/zinc/39/53/94/533395394.db2.gz OWECOJXHNNMJBZ-UONOGXRCSA-N 1 1 289.398 3.080 20 30 CGEDMO C[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000063309333 392136058 /nfs/dbraw/zinc/13/60/58/392136058.db2.gz QAIVOOUMIPQTIL-AWEZNQCLSA-N 1 1 285.391 3.009 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@H](OC)C[C@H]2C)c1 ZINC000282234610 392286456 /nfs/dbraw/zinc/28/64/56/392286456.db2.gz ISSVINZBRXKTQX-ZBFHGGJFSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283201779 392302541 /nfs/dbraw/zinc/30/25/41/392302541.db2.gz RKJGBSIBQGSOME-MRXNPFEDSA-N 1 1 286.419 3.047 20 30 CGEDMO CC(C)[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C1CCCC1 ZINC000108364864 392340466 /nfs/dbraw/zinc/34/04/66/392340466.db2.gz VLHFVDCRZKMFRO-UHFFFAOYSA-N 1 1 285.391 3.150 20 30 CGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@@H]1C ZINC000245460266 131084857 /nfs/dbraw/zinc/08/48/57/131084857.db2.gz VRQRIDPAKIMTBS-UONOGXRCSA-N 1 1 292.448 3.136 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000246035605 131091515 /nfs/dbraw/zinc/09/15/15/131091515.db2.gz QODPQVLWETUDDX-JKSUJKDBSA-N 1 1 295.810 3.040 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000246035605 131091517 /nfs/dbraw/zinc/09/15/17/131091517.db2.gz QODPQVLWETUDDX-JKSUJKDBSA-N 1 1 295.810 3.040 20 30 CGEDMO C=CCC[C@@H](NC[C@]1([NH+](C)C)CCSC1)c1ccco1 ZINC000286190872 392379139 /nfs/dbraw/zinc/37/91/39/392379139.db2.gz RHSHRSFSRLHYDX-GDBMZVCRSA-N 1 1 294.464 3.314 20 30 CGEDMO C=CCC[N@@H+](C)Cc1c(C)nn(-c2ccccn2)c1Cl ZINC000289064036 392413948 /nfs/dbraw/zinc/41/39/48/392413948.db2.gz ARECDWPLJNBUJR-UHFFFAOYSA-N 1 1 290.798 3.237 20 30 CGEDMO C=CCC[N@H+](C)Cc1c(C)nn(-c2ccccn2)c1Cl ZINC000289064036 392413955 /nfs/dbraw/zinc/41/39/55/392413955.db2.gz ARECDWPLJNBUJR-UHFFFAOYSA-N 1 1 290.798 3.237 20 30 CGEDMO C#Cc1ccc(C[NH2+][C@@H](C)c2nnc([C@@H](C)CC)[nH]2)cc1 ZINC000289703742 392429325 /nfs/dbraw/zinc/42/93/25/392429325.db2.gz NQLVMPMSJPFHCP-STQMWFEESA-N 1 1 282.391 3.150 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2cn(C(C)C)nn2)CCCC1(C)C ZINC000289899130 392436446 /nfs/dbraw/zinc/43/64/46/392436446.db2.gz XKXNOWSDCVDFRC-HNNXBMFYSA-N 1 1 276.428 3.426 20 30 CGEDMO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1cccc(Cl)c1 ZINC000121004139 392407165 /nfs/dbraw/zinc/40/71/65/392407165.db2.gz SOOIWWSJTBQIEJ-RYUDHWBXSA-N 1 1 261.756 3.434 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)Cc2ccccc2O1 ZINC000292895680 392513898 /nfs/dbraw/zinc/51/38/98/392513898.db2.gz ZLAFVAHWXHGIAZ-GFCCVEGCSA-N 1 1 284.384 3.403 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)Cc2ccccc2O1 ZINC000292895680 392513903 /nfs/dbraw/zinc/51/39/03/392513903.db2.gz ZLAFVAHWXHGIAZ-GFCCVEGCSA-N 1 1 284.384 3.403 20 30 CGEDMO CC(C)[C@]1(CO)CCC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000292928977 392515226 /nfs/dbraw/zinc/51/52/26/392515226.db2.gz CIMQZIHGEURBPF-MAUKXSAKSA-N 1 1 286.419 3.350 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@H]1CCCCO1 ZINC000299385507 392578841 /nfs/dbraw/zinc/57/88/41/392578841.db2.gz PJZFPJODPGTBFX-CZUORRHYSA-N 1 1 258.365 3.120 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@H]2c2nccs2)cc1 ZINC000372433966 392611804 /nfs/dbraw/zinc/61/18/04/392611804.db2.gz STOQJRLHHNDQCX-INIZCTEOSA-N 1 1 298.411 3.492 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC[C@H]2c2nccs2)cc1 ZINC000372433966 392611808 /nfs/dbraw/zinc/61/18/08/392611808.db2.gz STOQJRLHHNDQCX-INIZCTEOSA-N 1 1 298.411 3.492 20 30 CGEDMO C[C@@H]1CSCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000178538541 392680942 /nfs/dbraw/zinc/68/09/42/392680942.db2.gz VMNJOTXCIRMKLS-CYBMUJFWSA-N 1 1 274.433 3.425 20 30 CGEDMO Cc1nc(CCNC(=O)CC[C@@H]2CCCC[N@@H+]2C)c(C)o1 ZINC000329535329 392687051 /nfs/dbraw/zinc/68/70/51/392687051.db2.gz LIHRLSJOWICVEQ-AWEZNQCLSA-N 1 1 293.411 3.055 20 30 CGEDMO CCc1[nH]nc(NC(=O)CC[C@H]2CCCC[N@H+]2C)c1C ZINC000329531997 392687096 /nfs/dbraw/zinc/68/70/96/392687096.db2.gz JRHABQLDXFDWHM-GFCCVEGCSA-N 1 1 278.400 3.133 20 30 CGEDMO CC(C)(C#N)CCC[N@@H+](Cc1ccccn1)C1CC1 ZINC000179292588 392696172 /nfs/dbraw/zinc/69/61/72/392696172.db2.gz OQMUERZNNSDHGX-UHFFFAOYSA-N 1 1 257.381 3.376 20 30 CGEDMO Cc1ccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)o1 ZINC000334332010 392720884 /nfs/dbraw/zinc/72/08/84/392720884.db2.gz LVGMOEROKRZVHB-UHFFFAOYSA-N 1 1 281.359 3.040 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](OCC(C)C)C1 ZINC000186256995 392780610 /nfs/dbraw/zinc/78/06/10/392780610.db2.gz VRQRRLHCGZUKDY-QGZVFWFLSA-N 1 1 272.392 3.114 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000186309314 392781962 /nfs/dbraw/zinc/78/19/62/392781962.db2.gz KOHSJNJWRUVOQN-RDTXWAMCSA-N 1 1 294.402 3.146 20 30 CGEDMO CCOC1CC2(C1)CC[N@@H+](Cc1ccc(F)c(C#N)c1)C2 ZINC000375805542 392823055 /nfs/dbraw/zinc/82/30/55/392823055.db2.gz MQJBVKLNJXUAMC-UHFFFAOYSA-N 1 1 288.366 3.088 20 30 CGEDMO Cc1csc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)n1 ZINC000335954163 392826121 /nfs/dbraw/zinc/82/61/21/392826121.db2.gz VZAPQPSGERMEAC-OAHLLOKOSA-N 1 1 283.400 3.490 20 30 CGEDMO C[C@@H]1CN(c2ccccc2F)CC[N@H+]1CCCCC#N ZINC000191631452 392832789 /nfs/dbraw/zinc/83/27/89/392832789.db2.gz VMBTYGZEZSDDOW-CQSZACIVSA-N 1 1 275.371 3.030 20 30 CGEDMO C[C@H](C#N)C[N@H+](CCO[C@@H]1CCCC[C@H]1C)C1CC1 ZINC000338347636 392910917 /nfs/dbraw/zinc/91/09/17/392910917.db2.gz IWXUDCZEZGASEI-IIAWOOMASA-N 1 1 264.413 3.206 20 30 CGEDMO C[C@H](C#N)C[N@@H+](CCO[C@@H]1CCCC[C@H]1C)C1CC1 ZINC000338347636 392910921 /nfs/dbraw/zinc/91/09/21/392910921.db2.gz IWXUDCZEZGASEI-IIAWOOMASA-N 1 1 264.413 3.206 20 30 CGEDMO C[C@H](C#N)C[N@H+](CCO[C@H]1CCCC[C@@H]1C)C1CC1 ZINC000338348712 392911038 /nfs/dbraw/zinc/91/10/38/392911038.db2.gz IWXUDCZEZGASEI-YCPHGPKFSA-N 1 1 264.413 3.206 20 30 CGEDMO C[C@H](C#N)C[N@@H+](CCO[C@H]1CCCC[C@@H]1C)C1CC1 ZINC000338348712 392911044 /nfs/dbraw/zinc/91/10/44/392911044.db2.gz IWXUDCZEZGASEI-YCPHGPKFSA-N 1 1 264.413 3.206 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000338376981 392912832 /nfs/dbraw/zinc/91/28/32/392912832.db2.gz SQGYYILEIWZKAH-FUHWJXTLSA-N 1 1 298.430 3.189 20 30 CGEDMO CC1(C)Cc2ccsc2C[N@@H+]1Cc1ccc(C#N)cn1 ZINC000515497306 392861685 /nfs/dbraw/zinc/86/16/85/392861685.db2.gz WLAQDLMEWXHKIO-UHFFFAOYSA-N 1 1 283.400 3.352 20 30 CGEDMO CC1(C)Cc2ccsc2C[N@H+]1Cc1ccc(C#N)cn1 ZINC000515497306 392861694 /nfs/dbraw/zinc/86/16/94/392861694.db2.gz WLAQDLMEWXHKIO-UHFFFAOYSA-N 1 1 283.400 3.352 20 30 CGEDMO C=C[C@](C)(CC)C(=O)Nc1ccc2nc(N(C)C)[nH]c2c1 ZINC000338925836 392935433 /nfs/dbraw/zinc/93/54/33/392935433.db2.gz MRGIVIDTZYMTIF-MRXNPFEDSA-N 1 1 286.379 3.170 20 30 CGEDMO N#CCCOCC[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000339039700 392944056 /nfs/dbraw/zinc/94/40/56/392944056.db2.gz JUSVIFXBSBALRQ-UHFFFAOYSA-N 1 1 296.370 3.235 20 30 CGEDMO N#CCCOCC[N@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC000339017580 392941690 /nfs/dbraw/zinc/94/16/90/392941690.db2.gz PXQKRIWAAXNCGY-LJQANCHMSA-N 1 1 298.430 3.287 20 30 CGEDMO CCC[C@]1(COC)CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000194941260 392947983 /nfs/dbraw/zinc/94/79/83/392947983.db2.gz YDPSLGQJDXZKRO-QGZVFWFLSA-N 1 1 290.382 3.478 20 30 CGEDMO C[C@@H]1CC[N@@H+](CCOCCC#N)CC12CCCCC2 ZINC000339094530 392949216 /nfs/dbraw/zinc/94/92/16/392949216.db2.gz NCCKNGAUGKBBPG-OAHLLOKOSA-N 1 1 264.413 3.209 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+]1CCC(F)(F)C[C@H]1C ZINC000528771221 392971210 /nfs/dbraw/zinc/97/12/10/392971210.db2.gz SQQUPPPEEJMRFN-LLVKDONJSA-N 1 1 280.318 3.186 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC(F)(F)C[C@H]1C ZINC000528771221 392971215 /nfs/dbraw/zinc/97/12/15/392971215.db2.gz SQQUPPPEEJMRFN-LLVKDONJSA-N 1 1 280.318 3.186 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000342819097 393009189 /nfs/dbraw/zinc/00/91/89/393009189.db2.gz XRYFNQAVBWIERP-MSOLQXFVSA-N 1 1 287.403 3.395 20 30 CGEDMO Cc1ccccc1C[C@H]1CCC[N@H+]1CC1(C#N)CC1 ZINC000343306589 393025051 /nfs/dbraw/zinc/02/50/51/393025051.db2.gz VSOBURFBQYYQEX-MRXNPFEDSA-N 1 1 254.377 3.306 20 30 CGEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)CC1=CCCOC1 ZINC000348868904 393133915 /nfs/dbraw/zinc/13/39/15/393133915.db2.gz LPSPQOHIGQDVCL-UHFFFAOYSA-N 1 1 289.423 3.189 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1cccn1C ZINC000348871400 393134114 /nfs/dbraw/zinc/13/41/14/393134114.db2.gz XJEYBGJFKDGFJG-UHFFFAOYSA-N 1 1 286.423 3.381 20 30 CGEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1cccn1C ZINC000348871400 393134120 /nfs/dbraw/zinc/13/41/20/393134120.db2.gz XJEYBGJFKDGFJG-UHFFFAOYSA-N 1 1 286.423 3.381 20 30 CGEDMO CC(C)c1nnc([C@H](C)[NH2+][C@@H]2CCc3ccc(C#N)cc32)[nH]1 ZINC000353271097 393217539 /nfs/dbraw/zinc/21/75/39/393217539.db2.gz XYOKIFMXDMPNHJ-XHDPSFHLSA-N 1 1 295.390 3.138 20 30 CGEDMO C[NH+](C)C1(CN[C@H]2CCc3ccc(C#N)cc32)CCCC1 ZINC000353431486 393223055 /nfs/dbraw/zinc/22/30/55/393223055.db2.gz ZFXTXOAPKGTMRJ-KRWDZBQOSA-N 1 1 283.419 3.010 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(C#N)cc1 ZINC000352800599 393210189 /nfs/dbraw/zinc/21/01/89/393210189.db2.gz OUWNNAQOTZMKAN-UHFFFAOYSA-N 1 1 296.370 3.222 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(C#N)cc1 ZINC000352800599 393210197 /nfs/dbraw/zinc/21/01/97/393210197.db2.gz OUWNNAQOTZMKAN-UHFFFAOYSA-N 1 1 296.370 3.222 20 30 CGEDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CCOc1cccc(C#N)c1 ZINC000470953806 393268462 /nfs/dbraw/zinc/26/84/62/393268462.db2.gz SNUNMYVMMRSEQU-BXUZGUMPSA-N 1 1 298.308 3.210 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CC=C(c2ccc(OCC)cc2)CC1 ZINC000649406344 393412961 /nfs/dbraw/zinc/41/29/61/393412961.db2.gz ANWZRQABKACEQF-GOSISDBHSA-N 1 1 287.403 3.111 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000429594562 393490625 /nfs/dbraw/zinc/49/06/25/393490625.db2.gz YHLLETDLWDFMID-DOMZBBRYSA-N 1 1 258.365 3.187 20 30 CGEDMO COc1ccc2c(c1)C[C@@H](C)[N@H+](CCCC#N)[C@H]2C ZINC000359539338 393550253 /nfs/dbraw/zinc/55/02/53/393550253.db2.gz ORLNHPBGPHUWMP-OLZOCXBDSA-N 1 1 258.365 3.307 20 30 CGEDMO C=CC1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000360636367 393571456 /nfs/dbraw/zinc/57/14/56/393571456.db2.gz IZSXNMWRUFXEIO-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCOc1cccc(C[N@H+](C(C)C)[C@@H]2CCOC2)c1 ZINC000361054039 393657685 /nfs/dbraw/zinc/65/76/85/393657685.db2.gz SUWMTKVXJAMBIH-MRXNPFEDSA-N 1 1 275.392 3.251 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)cc1 ZINC000449543561 393892373 /nfs/dbraw/zinc/89/23/73/393892373.db2.gz SZPQWEKKPOZQHU-IRXDYDNUSA-N 1 1 252.361 3.179 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccc(OCC)cc1C ZINC000668054904 542963513 /nfs/dbraw/zinc/96/35/13/542963513.db2.gz KUQOMQDBFHAMAU-UHFFFAOYSA-N 1 1 263.381 3.028 20 30 CGEDMO C=CCOc1ccc(C[NH+]2CC(CCOC)C2)cc1Cl ZINC000668472070 543017106 /nfs/dbraw/zinc/01/71/06/543017106.db2.gz CILKZHOLAHRDKN-UHFFFAOYSA-N 1 1 295.810 3.373 20 30 CGEDMO C#CC[N@@H+](CC#CC)Cc1ccccc1C(F)(F)F ZINC000743854844 572690859 /nfs/dbraw/zinc/69/08/59/572690859.db2.gz PDRKWJRWPCCZDI-UHFFFAOYSA-N 1 1 265.278 3.164 20 30 CGEDMO C#CC[N@H+](CC#CC)Cc1ccccc1C(F)(F)F ZINC000743854844 572690862 /nfs/dbraw/zinc/69/08/62/572690862.db2.gz PDRKWJRWPCCZDI-UHFFFAOYSA-N 1 1 265.278 3.164 20 30 CGEDMO C=C(C)C[NH+]1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000674460856 543286795 /nfs/dbraw/zinc/28/67/95/543286795.db2.gz UDKGAWKNOXSMEY-YUMQZZPRSA-N 1 1 261.209 3.235 20 30 CGEDMO C[N@H+](CC#Cc1cccc(Cl)c1)CCOC(C)(C)C ZINC000676633141 543408563 /nfs/dbraw/zinc/40/85/63/543408563.db2.gz UACSHJMHUQXBNO-UHFFFAOYSA-N 1 1 279.811 3.438 20 30 CGEDMO COCC#CC[N@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC000677820833 543467904 /nfs/dbraw/zinc/46/79/04/543467904.db2.gz YRZQHJLWOGLBKA-UHFFFAOYSA-N 1 1 293.357 3.359 20 30 CGEDMO COCC#CC[N@@H+](Cc1cc(F)ccc1F)C1CCCC1 ZINC000677820833 543467906 /nfs/dbraw/zinc/46/79/06/543467906.db2.gz YRZQHJLWOGLBKA-UHFFFAOYSA-N 1 1 293.357 3.359 20 30 CGEDMO COCC#CC[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000677818872 543468196 /nfs/dbraw/zinc/46/81/96/543468196.db2.gz KLDZLZRZDCNPFD-UHFFFAOYSA-N 1 1 298.361 3.046 20 30 CGEDMO CCC#C[C@@H](C)[N@@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000678049594 543479497 /nfs/dbraw/zinc/47/94/97/543479497.db2.gz MIJSBQYKZHFHDN-NVXWUHKLSA-N 1 1 257.377 3.036 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000678049594 543479498 /nfs/dbraw/zinc/47/94/98/543479498.db2.gz MIJSBQYKZHFHDN-NVXWUHKLSA-N 1 1 257.377 3.036 20 30 CGEDMO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000073479830 165079348 /nfs/dbraw/zinc/07/93/48/165079348.db2.gz NVDZWVOJJSSFGA-QGZVFWFLSA-N 1 1 283.350 3.373 20 30 CGEDMO Cn1cccc1[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000073479830 165079351 /nfs/dbraw/zinc/07/93/51/165079351.db2.gz NVDZWVOJJSSFGA-QGZVFWFLSA-N 1 1 283.350 3.373 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@H]2C(C)C)cc1C#N ZINC000088836957 165194772 /nfs/dbraw/zinc/19/47/72/165194772.db2.gz XMVSSUSCJIPXMB-HNNXBMFYSA-N 1 1 258.365 3.187 20 30 CGEDMO CC1(C)CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000093660286 165332295 /nfs/dbraw/zinc/33/22/95/165332295.db2.gz CPDXCUJSGDXDLV-UHFFFAOYSA-N 1 1 282.391 3.218 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000092788932 287113311 /nfs/dbraw/zinc/11/33/11/287113311.db2.gz VNNCLPSXPACIDT-LBPRGKRZSA-N 1 1 289.429 3.456 20 30 CGEDMO N#CCC[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000020200039 171063529 /nfs/dbraw/zinc/06/35/29/171063529.db2.gz QVHMMDBRTUAGHL-KRWDZBQOSA-N 1 1 250.345 3.474 20 30 CGEDMO C[C@@H]1C[C@H](C)[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000127303182 287284961 /nfs/dbraw/zinc/28/49/61/287284961.db2.gz DWCPFBFUUHNODN-KGLIPLIRSA-N 1 1 258.365 3.057 20 30 CGEDMO C=CC[N@@H+](CCN1CCCC1=O)Cc1ccc(Cl)s1 ZINC000078745520 177381356 /nfs/dbraw/zinc/38/13/56/177381356.db2.gz OTLGQSFVDYAQMP-UHFFFAOYSA-N 1 1 298.839 3.012 20 30 CGEDMO C=CC[N@H+](CCN1CCCC1=O)Cc1ccc(Cl)s1 ZINC000078745520 177381358 /nfs/dbraw/zinc/38/13/58/177381358.db2.gz OTLGQSFVDYAQMP-UHFFFAOYSA-N 1 1 298.839 3.012 20 30 CGEDMO CC[C@H](C[N@@H+](CC)CC#CCOC)c1ccccc1 ZINC000681481333 543789811 /nfs/dbraw/zinc/78/98/11/543789811.db2.gz MZEGGIWAYURWIU-MRXNPFEDSA-N 1 1 259.393 3.152 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000681480370 543790062 /nfs/dbraw/zinc/79/00/62/543790062.db2.gz ZZHJZVUGUMCOQR-CRAIPNDOSA-N 1 1 269.388 3.310 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCSC3(CCC3)CC2)C1 ZINC000334732650 225293827 /nfs/dbraw/zinc/29/38/27/225293827.db2.gz MMMLKPYIDSFIHR-OLZOCXBDSA-N 1 1 250.411 3.040 20 30 CGEDMO O[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C2(CCC2)C1 ZINC000334984543 225386310 /nfs/dbraw/zinc/38/63/10/225386310.db2.gz AGYOJLYAVUYZJR-INIZCTEOSA-N 1 1 289.806 3.071 20 30 CGEDMO C[C@H]1c2ccccc2OCC[N@H+]1CC#Cc1ccccc1 ZINC000683016858 543889376 /nfs/dbraw/zinc/88/93/76/543889376.db2.gz UVGQHCHQBREZLR-INIZCTEOSA-N 1 1 277.367 3.494 20 30 CGEDMO C[C@H]1c2ccccc2OCC[N@@H+]1CC#Cc1ccccc1 ZINC000683016858 543889378 /nfs/dbraw/zinc/88/93/78/543889378.db2.gz UVGQHCHQBREZLR-INIZCTEOSA-N 1 1 277.367 3.494 20 30 CGEDMO C[C@@H](C[N@H+](CCCCC#N)[C@@H](C)CO)c1ccccc1 ZINC000347450639 226159940 /nfs/dbraw/zinc/15/99/40/226159940.db2.gz KOQCGBOJSKXEDT-HOTGVXAUSA-N 1 1 274.408 3.167 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)[C@@H](C)c1nnc(CC)[nH]1 ZINC000659857867 419017070 /nfs/dbraw/zinc/01/70/70/419017070.db2.gz ULECJFNIMXEDFP-AWEZNQCLSA-N 1 1 284.407 3.159 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)[C@@H](C)c1nnc(CC)[nH]1 ZINC000659857867 419017072 /nfs/dbraw/zinc/01/70/72/419017072.db2.gz ULECJFNIMXEDFP-AWEZNQCLSA-N 1 1 284.407 3.159 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2C[C@H](c3ccccc3)C[C@@H]2C)nn1 ZINC000653556989 419047670 /nfs/dbraw/zinc/04/76/70/419047670.db2.gz VRJZWWMSDFMKCT-DOTOQJQBSA-N 1 1 296.418 3.232 20 30 CGEDMO C=CCCn1cc(C[N@H+]2[C@H](C)C[C@@H]3CCCC[C@@H]32)nn1 ZINC000653559673 419047819 /nfs/dbraw/zinc/04/78/19/419047819.db2.gz NQJXSTDIYDBBAE-YCPHGPKFSA-N 1 1 274.412 3.007 20 30 CGEDMO C=CCCn1cc(C[NH+]2CCC(C(C)(C)C)CC2)nn1 ZINC000653557090 419047889 /nfs/dbraw/zinc/04/78/89/419047889.db2.gz AYJJUZXLNKGTMP-UHFFFAOYSA-N 1 1 276.428 3.112 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CCC[C@@H]2[C@@H](C)CCC)nn1 ZINC000653570898 419051668 /nfs/dbraw/zinc/05/16/68/419051668.db2.gz JAXMKJTTZJNAKH-GOEBONIOSA-N 1 1 276.428 3.255 20 30 CGEDMO OCC1([N@@H+](CC#Cc2cccc(Cl)c2)C2CC2)CCC1 ZINC000660773211 419193880 /nfs/dbraw/zinc/19/38/80/419193880.db2.gz SGUQIKICIZMRQZ-UHFFFAOYSA-N 1 1 289.806 3.071 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@H]2CCCc3ccccc32)nn1 ZINC000657287179 419243181 /nfs/dbraw/zinc/24/31/81/419243181.db2.gz ZYKKXQWULDTECH-KRWDZBQOSA-N 1 1 282.391 3.021 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(OC(C)(C)C)n1)[C@H](C)COC ZINC000661241457 419244027 /nfs/dbraw/zinc/24/40/27/419244027.db2.gz YLCRUJLKJAWQQI-CQSZACIVSA-N 1 1 292.423 3.282 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](C)c2nc(C3CC3)no2)C1 ZINC000661378973 419255006 /nfs/dbraw/zinc/25/50/06/419255006.db2.gz PUVGBQDGLGGVMD-NWDGAFQWSA-N 1 1 261.369 3.296 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2cn3ccccc3n2)C1 ZINC000661378358 419255230 /nfs/dbraw/zinc/25/52/30/419255230.db2.gz DNPCTWGWSSTLTL-AWEZNQCLSA-N 1 1 255.365 3.122 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@@H](C)c2nnc(C)s2)C1 ZINC000661383350 419255726 /nfs/dbraw/zinc/25/57/26/419255726.db2.gz CKLDGZHACGKCPI-JQWIXIFHSA-N 1 1 251.399 3.196 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@H](C)C(=O)c2c[nH]c3ncccc23)C1 ZINC000661382183 419255824 /nfs/dbraw/zinc/25/58/24/419255824.db2.gz UCJXCHAYPRIOHH-KGLIPLIRSA-N 1 1 297.402 3.422 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2cn3ccccc3n2)C1 ZINC000661378359 419256029 /nfs/dbraw/zinc/25/60/29/419256029.db2.gz DNPCTWGWSSTLTL-CQSZACIVSA-N 1 1 255.365 3.122 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC000661387606 419256451 /nfs/dbraw/zinc/25/64/51/419256451.db2.gz YZAJNBIVQZENJP-AWEZNQCLSA-N 1 1 261.413 3.426 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]Cc1ccnn1CC1CC1 ZINC000657357380 419258076 /nfs/dbraw/zinc/25/80/76/419258076.db2.gz NAVYOHRQAKDLQT-UHFFFAOYSA-N 1 1 297.402 3.148 20 30 CGEDMO C=CC[N@H+](C[C@@H](O)COc1ccccc1C)C(C)(C)C ZINC000661754734 419295260 /nfs/dbraw/zinc/29/52/60/419295260.db2.gz CIXRWPVZQDUEJZ-OAHLLOKOSA-N 1 1 277.408 3.021 20 30 CGEDMO O=C(Nc1cccc(-c2cc[nH]n2)c1)[C@H]1CCC[N@H+]1C1CC1 ZINC000330205582 228065336 /nfs/dbraw/zinc/06/53/36/228065336.db2.gz CONDESHVZLBCGV-MRXNPFEDSA-N 1 1 296.374 3.292 20 30 CGEDMO C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cc1nc(C#N)cs1 ZINC000356139523 228136770 /nfs/dbraw/zinc/13/67/70/228136770.db2.gz SQHJSXSSXGBNOH-ZFWWWQNUSA-N 1 1 297.427 3.468 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1ccccc1 ZINC000662079129 419333357 /nfs/dbraw/zinc/33/33/57/419333357.db2.gz HKLCMFDYCXIVTE-IYBDPMFKSA-N 1 1 270.376 3.198 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)Nc1ccccc1 ZINC000662079316 419333622 /nfs/dbraw/zinc/33/36/22/419333622.db2.gz JRUHGJLGMVBCEH-CWRNSKLLSA-N 1 1 270.376 3.197 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC000662091292 419334514 /nfs/dbraw/zinc/33/45/14/419334514.db2.gz WRBWCEWHRHQICU-OWCLPIDISA-N 1 1 290.451 3.207 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)Cc1cccc(Cl)c1 ZINC000662091445 419334586 /nfs/dbraw/zinc/33/45/86/419334586.db2.gz YGKRUXZHIZHIGB-BBWFWOEESA-N 1 1 291.822 3.426 20 30 CGEDMO Fc1ccc(C#CC[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cc1 ZINC000662312327 419389949 /nfs/dbraw/zinc/38/99/49/419389949.db2.gz YBXGGCFSMGKWKI-KDURUIRLSA-N 1 1 299.389 3.070 20 30 CGEDMO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCN(C)C1 ZINC000657876451 419398867 /nfs/dbraw/zinc/39/88/67/419398867.db2.gz MCLCUPCKFCGEII-BZUAXINKSA-N 1 1 250.430 3.053 20 30 CGEDMO C=CCCCC[N@H+]1C[C@@H](CC(F)(F)F)O[C@@H](C)C1 ZINC000662241638 419370841 /nfs/dbraw/zinc/37/08/41/419370841.db2.gz UWOCAQCOEBKPFR-NWDGAFQWSA-N 1 1 265.319 3.384 20 30 CGEDMO C=CCOCCNc1cc(C(F)(F)F)cc(C)[nH+]1 ZINC000663783976 419715136 /nfs/dbraw/zinc/71/51/36/419715136.db2.gz OQGIGOZYNOANPZ-UHFFFAOYSA-N 1 1 260.259 3.023 20 30 CGEDMO Cc1csc(C[NH2+]C2CC(C#N)(c3ccccc3)C2)n1 ZINC000086037367 260206955 /nfs/dbraw/zinc/20/69/55/260206955.db2.gz STOAZHDCXPVTPC-UHFFFAOYSA-N 1 1 283.400 3.165 20 30 CGEDMO Cc1ccccc1[C@H]1C[N@H+](CCCC#N)[C@H](C)CO1 ZINC000075784295 260292015 /nfs/dbraw/zinc/29/20/15/260292015.db2.gz YMUPOWYNFHROJW-GDBMZVCRSA-N 1 1 258.365 3.061 20 30 CGEDMO Cc1ccccc1[C@H]1C[N@@H+](CCCC#N)[C@H](C)CO1 ZINC000075784295 260292016 /nfs/dbraw/zinc/29/20/16/260292016.db2.gz YMUPOWYNFHROJW-GDBMZVCRSA-N 1 1 258.365 3.061 20 30 CGEDMO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1CCCSCC#N ZINC000080628177 260317339 /nfs/dbraw/zinc/31/73/39/260317339.db2.gz CGWDJNIEALPQKI-HOCLYGCPSA-N 1 1 290.432 3.095 20 30 CGEDMO C[N@@H+](CCCSCC#N)Cc1ccc(F)c(F)c1 ZINC000080626968 260317431 /nfs/dbraw/zinc/31/74/31/260317431.db2.gz XKLURKQWYRLSEY-UHFFFAOYSA-N 1 1 270.348 3.043 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000409446522 260405933 /nfs/dbraw/zinc/40/59/33/260405933.db2.gz XGTFJLXCGWVKJT-JKSUJKDBSA-N 1 1 278.440 3.455 20 30 CGEDMO COc1ccc(C(N)=[NH+]OCCCCC(F)(F)F)cc1 ZINC000154243832 261089735 /nfs/dbraw/zinc/08/97/35/261089735.db2.gz AZIDONACWJIDIA-UHFFFAOYSA-N 1 1 290.285 3.065 20 30 CGEDMO C=CCCCNC(=O)N1CCC(C[N@H+](C)CCCC)CC1 ZINC000448387182 261137883 /nfs/dbraw/zinc/13/78/83/261137883.db2.gz WTGZHQKUVMRMCI-UHFFFAOYSA-N 1 1 295.471 3.106 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](CCCC(C)(C)C#N)CCS1 ZINC000174880493 261201359 /nfs/dbraw/zinc/20/13/59/261201359.db2.gz CRICQUUHGUFUDG-ZDUSSCGKSA-N 1 1 254.443 3.390 20 30 CGEDMO CN(C)Cc1cc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)ccc1F ZINC000192868375 262211987 /nfs/dbraw/zinc/21/19/87/262211987.db2.gz VNZAFXOUZSLGEA-CJNGLKHVSA-N 1 1 289.398 3.059 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@H]1CCCCO1 ZINC000336838800 262399573 /nfs/dbraw/zinc/39/95/73/262399573.db2.gz RFHZPHYPCCRSAC-KURKYZTESA-N 1 1 284.403 3.327 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H]1CCCCO1 ZINC000336838800 262399574 /nfs/dbraw/zinc/39/95/74/262399574.db2.gz RFHZPHYPCCRSAC-KURKYZTESA-N 1 1 284.403 3.327 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451699370 262912676 /nfs/dbraw/zinc/91/26/76/262912676.db2.gz LBYDPHLSMUPBKY-OAGGEKHMSA-N 1 1 251.414 3.216 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000268303272 262951305 /nfs/dbraw/zinc/95/13/05/262951305.db2.gz VKYJYSRFSQOLBN-GJZGRUSLSA-N 1 1 290.407 3.497 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1ccc(OCC#N)cc1 ZINC000272324540 263003128 /nfs/dbraw/zinc/00/31/28/263003128.db2.gz UZRBAEQKPOEALS-UHFFFAOYSA-N 1 1 296.370 3.413 20 30 CGEDMO C[C@H](C#N)Oc1ccccc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000272626442 263007906 /nfs/dbraw/zinc/00/79/06/263007906.db2.gz ZKYXZEFUXHPWAS-KFWWJZLASA-N 1 1 285.391 3.016 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000276152534 263034968 /nfs/dbraw/zinc/03/49/68/263034968.db2.gz PGMTWEYHJVSBSI-UHFFFAOYSA-N 1 1 257.381 3.044 20 30 CGEDMO C[N@@H+](CCOc1cccc(Cl)c1)[C@@H]1CC[C@H](C#N)C1 ZINC000278525506 263048592 /nfs/dbraw/zinc/04/85/92/263048592.db2.gz DEMRRKQZUUTQHO-GXTWGEPZSA-N 1 1 278.783 3.343 20 30 CGEDMO CO[C@]1(C)CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000279313543 263054634 /nfs/dbraw/zinc/05/46/34/263054634.db2.gz NKRCYLFMSHMHIF-GOSISDBHSA-N 1 1 286.419 3.489 20 30 CGEDMO N#CC1(CCC[N@H+]2CCc3ccsc3C2)CCOCC1 ZINC000281146771 263066736 /nfs/dbraw/zinc/06/67/36/263066736.db2.gz BCYQGTIFZOVULN-UHFFFAOYSA-N 1 1 290.432 3.207 20 30 CGEDMO Cc1occc1C[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000282041391 263073904 /nfs/dbraw/zinc/07/39/04/263073904.db2.gz QXSUQMHDMXJCCV-UHFFFAOYSA-N 1 1 276.380 3.120 20 30 CGEDMO C[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccc(C#N)cc1 ZINC000282076525 263074081 /nfs/dbraw/zinc/07/40/81/263074081.db2.gz TZDFUBPLVAIKDS-UHFFFAOYSA-N 1 1 297.402 3.091 20 30 CGEDMO CCC[N@@H+](Cc1ccccc1O)[C@@H]1CC[C@H](C#N)C1 ZINC000292722851 263134454 /nfs/dbraw/zinc/13/44/54/263134454.db2.gz FWGFUQMDIMRGLG-DZGCQCFKSA-N 1 1 258.365 3.296 20 30 CGEDMO CC1(C)C[N@H+]([C@H]2CC[C@H](C#N)C2)Cc2ccccc2O1 ZINC000293539342 263142912 /nfs/dbraw/zinc/14/29/12/263142912.db2.gz KBRBWKDCBLWFBK-ZFWWWQNUSA-N 1 1 270.376 3.352 20 30 CGEDMO C[C@@H](C[N@@H+](C)C[C@H](C)C#N)c1cc(F)cc(F)c1 ZINC000294832166 263167981 /nfs/dbraw/zinc/16/79/81/263167981.db2.gz NLBVTGCSFKFWSF-MNOVXSKESA-N 1 1 252.308 3.160 20 30 CGEDMO C[C@@H](C[N@H+](C)C[C@H](C)C#N)c1cc(F)cc(F)c1 ZINC000294832166 263167982 /nfs/dbraw/zinc/16/79/82/263167982.db2.gz NLBVTGCSFKFWSF-MNOVXSKESA-N 1 1 252.308 3.160 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000298044877 263214485 /nfs/dbraw/zinc/21/44/85/263214485.db2.gz DEOSNNQTFXTTPB-HOCLYGCPSA-N 1 1 257.381 3.255 20 30 CGEDMO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000298687392 263224116 /nfs/dbraw/zinc/22/41/16/263224116.db2.gz ABLJYAKDYKZCKW-OCCSQVGLSA-N 1 1 259.378 3.329 20 30 CGEDMO N#CCC[C@H](C#N)C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000298687392 263224118 /nfs/dbraw/zinc/22/41/18/263224118.db2.gz ABLJYAKDYKZCKW-OCCSQVGLSA-N 1 1 259.378 3.329 20 30 CGEDMO CN(CCC(C)(C)C#N)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000119700191 263276742 /nfs/dbraw/zinc/27/67/42/263276742.db2.gz FLVBNIZMCCBJPZ-GOSISDBHSA-N 1 1 299.462 3.380 20 30 CGEDMO CN(CCC(C)(C)C#N)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000119700191 263276744 /nfs/dbraw/zinc/27/67/44/263276744.db2.gz FLVBNIZMCCBJPZ-GOSISDBHSA-N 1 1 299.462 3.380 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC=C(c2ccccc2)C1 ZINC000341995023 263373903 /nfs/dbraw/zinc/37/39/03/263373903.db2.gz QZCCMAORNIKADP-QGZVFWFLSA-N 1 1 257.377 3.103 20 30 CGEDMO C=CC[C@@H]1[N@@H+](CCn2cc(C)cn2)CCCC1(C)C ZINC000342181628 263394500 /nfs/dbraw/zinc/39/45/00/263394500.db2.gz ZTQKXHJYQSRWER-HNNXBMFYSA-N 1 1 261.413 3.258 20 30 CGEDMO C=CC[N@H+](CCCn1ccnc1C)Cc1ccc(OC)cc1 ZINC000127310802 264248359 /nfs/dbraw/zinc/24/83/59/264248359.db2.gz JRAIRQNVTKYLPP-UHFFFAOYSA-N 1 1 299.418 3.278 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)Cc2ccco2)cc1OC ZINC000162161877 264310499 /nfs/dbraw/zinc/31/04/99/264310499.db2.gz CGLDYQPOMJMUJT-UHFFFAOYSA-N 1 1 287.359 3.485 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)Cc2ccco2)cc1OC ZINC000162161877 264310500 /nfs/dbraw/zinc/31/05/00/264310500.db2.gz CGLDYQPOMJMUJT-UHFFFAOYSA-N 1 1 287.359 3.485 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)C[C@@H](OC)C1CC1 ZINC000425421162 264313012 /nfs/dbraw/zinc/31/30/12/264313012.db2.gz LTPNDSDHRJMBSC-OAHLLOKOSA-N 1 1 252.402 3.063 20 30 CGEDMO C=C[C@@H](CC(=O)N[C@H](C)C[N@H+](C)C(C)C)c1ccccc1 ZINC000290968310 264806443 /nfs/dbraw/zinc/80/64/43/264806443.db2.gz SOKLHTUZCXPRPZ-CVEARBPZSA-N 1 1 288.435 3.191 20 30 CGEDMO COc1ccccc1C[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000042976984 270033568 /nfs/dbraw/zinc/03/35/68/270033568.db2.gz RUTUKDQVIWKYCL-UHFFFAOYSA-N 1 1 296.370 3.078 20 30 CGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)[C@@H](C)CCC ZINC000514541504 265178481 /nfs/dbraw/zinc/17/84/81/265178481.db2.gz CWFRRUORLBVEMA-DOTOQJQBSA-N 1 1 291.435 3.275 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000356537432 266132900 /nfs/dbraw/zinc/13/29/00/266132900.db2.gz ZBTQBFYKUSJWGV-QGZVFWFLSA-N 1 1 297.402 3.203 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@@H](c2ccccn2)C2CCC2)o1 ZINC000527774378 270135330 /nfs/dbraw/zinc/13/53/30/270135330.db2.gz TVSNNXDNWIUKAD-MRXNPFEDSA-N 1 1 267.332 3.177 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000367451088 267090673 /nfs/dbraw/zinc/09/06/73/267090673.db2.gz PRBGACCACABMMH-IBGZPJMESA-N 1 1 298.430 3.490 20 30 CGEDMO C[C@]1(c2ccc(F)cc2)CC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000369865844 267273008 /nfs/dbraw/zinc/27/30/08/267273008.db2.gz VDUFYWMOBCPXKL-YOEHRIQHSA-N 1 1 285.366 3.233 20 30 CGEDMO C[C@]1(c2ccc(F)cc2)CC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000369865844 267273011 /nfs/dbraw/zinc/27/30/11/267273011.db2.gz VDUFYWMOBCPXKL-YOEHRIQHSA-N 1 1 285.366 3.233 20 30 CGEDMO Cc1cc([C@H]2CCC[N@H+]2CCCC(C)(C)C#N)no1 ZINC000370002653 267281924 /nfs/dbraw/zinc/28/19/24/267281924.db2.gz RFKMYZPOGNDRPX-CQSZACIVSA-N 1 1 261.369 3.450 20 30 CGEDMO Cc1cc([C@@H]2CCC[N@H+]2CCCC(C)(C)C#N)no1 ZINC000370002652 267282912 /nfs/dbraw/zinc/28/29/12/267282912.db2.gz RFKMYZPOGNDRPX-AWEZNQCLSA-N 1 1 261.369 3.450 20 30 CGEDMO C[C@H]1CCN(Cc2ccccc2)CC[N@H+]1CCCCC#N ZINC000370014005 267284299 /nfs/dbraw/zinc/28/42/99/267284299.db2.gz XRCMMUNHEARMFR-KRWDZBQOSA-N 1 1 285.435 3.277 20 30 CGEDMO C[C@H]1CC[N@H+](Cc2ccccc2)CCN1CCCCC#N ZINC000370014005 267284300 /nfs/dbraw/zinc/28/43/00/267284300.db2.gz XRCMMUNHEARMFR-KRWDZBQOSA-N 1 1 285.435 3.277 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1CCCCC#N ZINC000370014005 267284301 /nfs/dbraw/zinc/28/43/01/267284301.db2.gz XRCMMUNHEARMFR-KRWDZBQOSA-N 1 1 285.435 3.277 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H](N2CCCC2)C[C@H]1C ZINC000370579396 267330027 /nfs/dbraw/zinc/33/00/27/267330027.db2.gz JWSKQNXLTKZDCJ-HZPDHXFCSA-N 1 1 250.430 3.291 20 30 CGEDMO C=CCCCCCN1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000370579396 267330029 /nfs/dbraw/zinc/33/00/29/267330029.db2.gz JWSKQNXLTKZDCJ-HZPDHXFCSA-N 1 1 250.430 3.291 20 30 CGEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)CNCC1(C#N)CCC1 ZINC000418141114 267362251 /nfs/dbraw/zinc/36/22/51/267362251.db2.gz KQQBPJBUGYGERM-UHFFFAOYSA-N 1 1 299.462 3.428 20 30 CGEDMO C[C@@H]1C[C@H](NCC2(C#N)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000418140803 267362680 /nfs/dbraw/zinc/36/26/80/267362680.db2.gz KFBJPQPEAAPASU-SJLPKXTDSA-N 1 1 297.446 3.323 20 30 CGEDMO N#CC1(CCC[N@H+]2CC[C@@H](c3ccco3)C2)CCOCC1 ZINC000377107939 268048372 /nfs/dbraw/zinc/04/83/72/268048372.db2.gz XBWDHPBPJDMHLB-OAHLLOKOSA-N 1 1 288.391 3.169 20 30 CGEDMO C[C@@H](CN[C@H]1CCc2ccc(C#N)cc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000353386195 274226136 /nfs/dbraw/zinc/22/61/36/274226136.db2.gz NAHGCFUTJFFMCQ-VCBZYWHSSA-N 1 1 297.446 3.256 20 30 CGEDMO C[C@@H](CN[C@H]1CCc2ccc(C#N)cc21)[N@H+]1CCC[C@@H](C)C1 ZINC000353386195 274226138 /nfs/dbraw/zinc/22/61/38/274226138.db2.gz NAHGCFUTJFFMCQ-VCBZYWHSSA-N 1 1 297.446 3.256 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ncccc2C#N)C1 ZINC000265086498 274286521 /nfs/dbraw/zinc/28/65/21/274286521.db2.gz SQFAMFIMNXJJHQ-HZPDHXFCSA-N 1 1 298.434 3.044 20 30 CGEDMO CC[N@@H+](CC(C)C)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000153739840 276088038 /nfs/dbraw/zinc/08/80/38/276088038.db2.gz YHMOXLGJMCKNMN-LBPRGKRZSA-N 1 1 291.395 3.073 20 30 CGEDMO CN1CC[N@H+](Cc2cc(C#N)ccc2F)Cc2ccccc21 ZINC000340649660 277108990 /nfs/dbraw/zinc/10/89/90/277108990.db2.gz CKMNJBLVOQFXLR-UHFFFAOYSA-N 1 1 295.361 3.149 20 30 CGEDMO CN1CC[N@@H+](Cc2cc(C#N)ccc2F)Cc2ccccc21 ZINC000340649660 277108991 /nfs/dbraw/zinc/10/89/91/277108991.db2.gz CKMNJBLVOQFXLR-UHFFFAOYSA-N 1 1 295.361 3.149 20 30 CGEDMO C[C@@H]1SCC[N@@H+](Cc2ccc(C#N)c(F)c2)[C@H]1C ZINC000192031482 278073139 /nfs/dbraw/zinc/07/31/39/278073139.db2.gz OIDHOHUGYUVAMC-QWRGUYRKSA-N 1 1 264.369 3.023 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C[C@@H]1C[C@@H]1c1ccccc1)C1CC1 ZINC000354034524 278133074 /nfs/dbraw/zinc/13/30/74/278133074.db2.gz ROOVGNCXWNWPEV-UKPHBRMFSA-N 1 1 254.377 3.414 20 30 CGEDMO CC[C@H]1C[N@H+]([C@H](C)c2ccc(C#N)cc2)CCCO1 ZINC000281542482 281175076 /nfs/dbraw/zinc/17/50/76/281175076.db2.gz WZUMXOLCNJUTCE-CJNGLKHVSA-N 1 1 258.365 3.120 20 30 CGEDMO CC[C@@H](c1ccccc1OC)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000554886473 289317564 /nfs/dbraw/zinc/31/75/64/289317564.db2.gz LRWCXWDKTUYCTO-KRWDZBQOSA-N 1 1 297.402 3.488 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292884712 290221276 /nfs/dbraw/zinc/22/12/76/290221276.db2.gz FEKFJMRABBMYPY-QAPCUYQASA-N 1 1 283.419 3.037 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000292884712 290221279 /nfs/dbraw/zinc/22/12/79/290221279.db2.gz FEKFJMRABBMYPY-QAPCUYQASA-N 1 1 283.419 3.037 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000292884712 290221282 /nfs/dbraw/zinc/22/12/82/290221282.db2.gz FEKFJMRABBMYPY-QAPCUYQASA-N 1 1 283.419 3.037 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000412082781 328102925 /nfs/dbraw/zinc/10/29/25/328102925.db2.gz XVWMGOAIWFFNAZ-CQSZACIVSA-N 1 1 267.413 3.396 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000336703092 328130120 /nfs/dbraw/zinc/13/01/20/328130120.db2.gz FVFAWITVZXRGLS-ZWKOTPCHSA-N 1 1 270.420 3.016 20 30 CGEDMO C=CCC[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000336703092 328130121 /nfs/dbraw/zinc/13/01/21/328130121.db2.gz FVFAWITVZXRGLS-ZWKOTPCHSA-N 1 1 270.420 3.016 20 30 CGEDMO C[N@H+](Cc1nc(-c2ccccc2)c[nH]1)[C@H]1CC[C@H](C#N)C1 ZINC000278623464 328228694 /nfs/dbraw/zinc/22/86/94/328228694.db2.gz NMYXQXTUBPTWSP-ZFWWWQNUSA-N 1 1 280.375 3.201 20 30 CGEDMO C[N@@H+](Cc1nc(-c2ccccc2)c[nH]1)[C@H]1CC[C@H](C#N)C1 ZINC000278623464 328228695 /nfs/dbraw/zinc/22/86/95/328228695.db2.gz NMYXQXTUBPTWSP-ZFWWWQNUSA-N 1 1 280.375 3.201 20 30 CGEDMO CC[N@@H+](CCC1CC1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567052011 322148414 /nfs/dbraw/zinc/14/84/14/322148414.db2.gz JSQQTDNXNWVLMY-UHFFFAOYSA-N 1 1 273.336 3.088 20 30 CGEDMO C[C@H]1c2c(F)cccc2CC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000567663396 322172576 /nfs/dbraw/zinc/17/25/76/322172576.db2.gz IPUGXDYXAIVFON-LBPRGKRZSA-N 1 1 283.350 3.155 20 30 CGEDMO C[C@H]1c2c(F)cccc2CC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000567663396 322172578 /nfs/dbraw/zinc/17/25/78/322172578.db2.gz IPUGXDYXAIVFON-LBPRGKRZSA-N 1 1 283.350 3.155 20 30 CGEDMO CC(C)C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000567990039 322186714 /nfs/dbraw/zinc/18/67/14/322186714.db2.gz YILSLCVOTRIFLZ-CQSZACIVSA-N 1 1 287.363 3.334 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000569226633 322239812 /nfs/dbraw/zinc/23/98/12/322239812.db2.gz OHPOXIZAXLPVOK-NEPJUHHUSA-N 1 1 273.336 3.087 20 30 CGEDMO C[C@H](NCC[N@H+]1CC[C@H](C)C1)c1ccc(C#N)cc1Cl ZINC000570235643 322268552 /nfs/dbraw/zinc/26/85/52/322268552.db2.gz LJVSWECJLVNXFR-STQMWFEESA-N 1 1 291.826 3.204 20 30 CGEDMO C[C@H]([NH2+]CCN1CC[C@H](C)C1)c1ccc(C#N)cc1Cl ZINC000570235643 322268553 /nfs/dbraw/zinc/26/85/53/322268553.db2.gz LJVSWECJLVNXFR-STQMWFEESA-N 1 1 291.826 3.204 20 30 CGEDMO CCC[N@@H+](CC)C[C@@H](C)Nc1cc(C#N)c2ccccc2n1 ZINC000571458442 322299450 /nfs/dbraw/zinc/29/94/50/322299450.db2.gz DSUKTOGKKILALB-CQSZACIVSA-N 1 1 296.418 3.061 20 30 CGEDMO CN(CC[N@@H+](C)C1CC1)c1cccc(C(F)F)c1C#N ZINC000573103964 322370497 /nfs/dbraw/zinc/37/04/97/322370497.db2.gz IDEGLXVVGWWQCJ-UHFFFAOYSA-N 1 1 279.334 3.026 20 30 CGEDMO C=CCOc1ccc(CNCCC[NH+]2CCC2)cc1Cl ZINC000535047457 328380652 /nfs/dbraw/zinc/38/06/52/328380652.db2.gz NCEJEXMIQXBEBX-UHFFFAOYSA-N 1 1 294.826 3.090 20 30 CGEDMO CCC(CC)[N@@H+](CC)CCOc1cccc(C#N)c1 ZINC000584195796 327062860 /nfs/dbraw/zinc/06/28/60/327062860.db2.gz RPFQIGYBSQWNNF-UHFFFAOYSA-N 1 1 260.381 3.448 20 30 CGEDMO C=CCCCC[C@H](C)[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000449162320 327102090 /nfs/dbraw/zinc/10/20/90/327102090.db2.gz RGEQYAMZZJZJTF-IRXDYDNUSA-N 1 1 294.483 3.212 20 30 CGEDMO C[N@@H+](CCCSCC#N)Cc1cccc(Cl)c1 ZINC000074981384 327122666 /nfs/dbraw/zinc/12/26/66/327122666.db2.gz BBVCWRYAXNWQRG-UHFFFAOYSA-N 1 1 268.813 3.419 20 30 CGEDMO CC[N@@H+](CCCSCC#N)CCc1ccccc1 ZINC000074981827 327122771 /nfs/dbraw/zinc/12/27/71/327122771.db2.gz FQEOGKCVVGZGLP-UHFFFAOYSA-N 1 1 262.422 3.198 20 30 CGEDMO CCC[N@@H+](CCOCCC#N)Cc1ccc(C)cc1 ZINC000559038672 327138817 /nfs/dbraw/zinc/13/88/17/327138817.db2.gz YFLPMQMPAKFTNZ-UHFFFAOYSA-N 1 1 260.381 3.137 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)NC1CCCC1 ZINC000150875822 327394638 /nfs/dbraw/zinc/39/46/38/327394638.db2.gz FNACTRGLLMYJRV-AWEZNQCLSA-N 1 1 266.429 3.112 20 30 CGEDMO N#CCSCCC[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000173894398 329153301 /nfs/dbraw/zinc/15/33/01/329153301.db2.gz RBGLGDZJCQQYTM-HNNXBMFYSA-N 1 1 264.438 3.456 20 30 CGEDMO CO[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]CCC#N ZINC000514668524 329173404 /nfs/dbraw/zinc/17/34/04/329173404.db2.gz HUTOESRBLJDWQP-ZWNOBZJWSA-N 1 1 297.196 3.028 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000178536607 329198323 /nfs/dbraw/zinc/19/83/23/329198323.db2.gz PIFKSDDRHJIBIY-BYICEURKSA-N 1 1 298.430 3.081 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1cccc(C)c1C ZINC000181244284 329227194 /nfs/dbraw/zinc/22/71/94/329227194.db2.gz BNODEFOHIDILGF-AWEZNQCLSA-N 1 1 260.381 3.138 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000181254469 329228089 /nfs/dbraw/zinc/22/80/89/329228089.db2.gz ZMWOXVOVYVGOOD-UHFFFAOYSA-N 1 1 287.319 3.258 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000181254469 329228091 /nfs/dbraw/zinc/22/80/91/329228091.db2.gz ZMWOXVOVYVGOOD-UHFFFAOYSA-N 1 1 287.319 3.258 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1nc2cc(F)ccc2n1CC ZINC000181292075 329229880 /nfs/dbraw/zinc/22/98/80/329229880.db2.gz UZVCWGVYEDEFJX-UHFFFAOYSA-N 1 1 261.344 3.203 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1nc2cc(F)ccc2n1CC ZINC000181292075 329229881 /nfs/dbraw/zinc/22/98/81/329229881.db2.gz UZVCWGVYEDEFJX-UHFFFAOYSA-N 1 1 261.344 3.203 20 30 CGEDMO C[C@H](C1CC1)[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000583063093 329309570 /nfs/dbraw/zinc/30/95/70/329309570.db2.gz QQBQIBIGQMZKIL-SNVBAGLBSA-N 1 1 280.318 3.390 20 30 CGEDMO C=CCCCC[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000583065557 329309763 /nfs/dbraw/zinc/30/97/63/329309763.db2.gz LDPRJLQDYCEVTF-ZDUSSCGKSA-N 1 1 261.369 3.093 20 30 CGEDMO C=CCC1(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CCC1 ZINC000188753838 329373016 /nfs/dbraw/zinc/37/30/16/329373016.db2.gz PQAINRZKITYETF-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO CC#CCC[N@@H+](Cc1ccccc1)C[C@@](C)(O)CC ZINC000189739352 329385374 /nfs/dbraw/zinc/38/53/74/329385374.db2.gz HZCOWJPPVDBNPL-KRWDZBQOSA-N 1 1 259.393 3.063 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H]1c1nc(C(=O)OCC)cs1 ZINC000191453549 330142385 /nfs/dbraw/zinc/14/23/85/330142385.db2.gz SSFNCGSRGZMFPW-GFCCVEGCSA-N 1 1 280.393 3.033 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1c1nc(C(=O)OCC)cs1 ZINC000191453549 330142386 /nfs/dbraw/zinc/14/23/86/330142386.db2.gz SSFNCGSRGZMFPW-GFCCVEGCSA-N 1 1 280.393 3.033 20 30 CGEDMO C=CCC[C@@H]([NH2+]CC1(N)CCCCCC1)C1CC1 ZINC000423203324 330176961 /nfs/dbraw/zinc/17/69/61/330176961.db2.gz SKWOETTVGCEAFJ-OAHLLOKOSA-N 1 1 250.430 3.373 20 30 CGEDMO C[C@H](C#N)C[N@H+](CCOc1cccc(Cl)c1)C1CC1 ZINC000533137916 330350342 /nfs/dbraw/zinc/35/03/42/330350342.db2.gz IMJIVBAVYBGBPR-GFCCVEGCSA-N 1 1 278.783 3.343 20 30 CGEDMO C[C@H](C#N)C[N@@H+](CCOc1cccc(Cl)c1)C1CC1 ZINC000533137916 330350343 /nfs/dbraw/zinc/35/03/43/330350343.db2.gz IMJIVBAVYBGBPR-GFCCVEGCSA-N 1 1 278.783 3.343 20 30 CGEDMO C[C@H]([N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1)C(C)(C)C ZINC000533249230 330355105 /nfs/dbraw/zinc/35/51/05/330355105.db2.gz BHEWYQGXEMHHAH-AWEZNQCLSA-N 1 1 293.455 3.038 20 30 CGEDMO C=CCC[C@H](C)[NH2+]CCCN(C)Cc1ccccc1 ZINC000130527927 330366192 /nfs/dbraw/zinc/36/61/92/330366192.db2.gz DPAKKWQYKAWQFV-INIZCTEOSA-N 1 1 260.425 3.453 20 30 CGEDMO C=C(CC)C[N@@H+]1CCCC[C@H]1C(=O)OC(C)(C)C ZINC000536932935 330367604 /nfs/dbraw/zinc/36/76/04/330367604.db2.gz CHDSAHYTBAAJGN-ZDUSSCGKSA-N 1 1 253.386 3.149 20 30 CGEDMO C=C(CC)C[N@H+]1CCCC[C@H]1C(=O)OC(C)(C)C ZINC000536932935 330367605 /nfs/dbraw/zinc/36/76/05/330367605.db2.gz CHDSAHYTBAAJGN-ZDUSSCGKSA-N 1 1 253.386 3.149 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000089996880 330389785 /nfs/dbraw/zinc/38/97/85/330389785.db2.gz LCEBPYXFWDWOIN-ZBFHGGJFSA-N 1 1 292.810 3.168 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000089996880 330389786 /nfs/dbraw/zinc/38/97/86/330389786.db2.gz LCEBPYXFWDWOIN-ZBFHGGJFSA-N 1 1 292.810 3.168 20 30 CGEDMO C=CC[N@@H+](C)CC(=O)Nc1ccccc1C(C)(C)C ZINC000121385586 330399681 /nfs/dbraw/zinc/39/96/81/330399681.db2.gz ROENJLHHULBQJY-UHFFFAOYSA-N 1 1 260.381 3.040 20 30 CGEDMO C=CC[N@H+](C)CC(=O)Nc1ccccc1C(C)(C)C ZINC000121385586 330399682 /nfs/dbraw/zinc/39/96/82/330399682.db2.gz ROENJLHHULBQJY-UHFFFAOYSA-N 1 1 260.381 3.040 20 30 CGEDMO C=CC[N@@H+](CCOC)CCc1ccc(Cl)cc1 ZINC000450838893 331002072 /nfs/dbraw/zinc/00/20/72/331002072.db2.gz QMJJOORBZFWMRN-UHFFFAOYSA-N 1 1 253.773 3.017 20 30 CGEDMO FCC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000451392345 331027186 /nfs/dbraw/zinc/02/71/86/331027186.db2.gz IUWNLKPKPOUERR-UHFFFAOYSA-N 1 1 265.759 3.373 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@@H]1C ZINC000451538641 331033098 /nfs/dbraw/zinc/03/30/98/331033098.db2.gz DNKBCOALWCPEKU-YOEHRIQHSA-N 1 1 286.419 3.345 20 30 CGEDMO CCCC[N@@H+](CCCC#N)[C@@H]1CCCC[C@H]1OC ZINC000451650141 331037764 /nfs/dbraw/zinc/03/77/64/331037764.db2.gz JSLRVOWNCYQLSP-HUUCEWRRSA-N 1 1 252.402 3.350 20 30 CGEDMO CO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(CC#N)cc2)C12CCC2 ZINC000451845679 331044421 /nfs/dbraw/zinc/04/44/21/331044421.db2.gz IUTRHYJPKCLANG-DLBZAZTESA-N 1 1 284.403 3.142 20 30 CGEDMO C=CCC1(C(=O)N2CC[N@@H+](CC)C[C@H]2C)CCCCC1 ZINC000451920054 331047313 /nfs/dbraw/zinc/04/73/13/331047313.db2.gz VPSKXWQJCJEWTI-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC1(C(=O)N2CC[N@H+](CC)C[C@H]2C)CCCCC1 ZINC000451920054 331047314 /nfs/dbraw/zinc/04/73/14/331047314.db2.gz VPSKXWQJCJEWTI-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1CCOCCC#N ZINC000451985441 331049309 /nfs/dbraw/zinc/04/93/09/331049309.db2.gz IFMIHINSAFUDFM-INIZCTEOSA-N 1 1 276.355 3.201 20 30 CGEDMO COC[C@@H]1CCC[N@@H+](CCCC(C)(C)C#N)CC1 ZINC000452088537 331053746 /nfs/dbraw/zinc/05/37/46/331053746.db2.gz QEKNTUBJBHYEPU-CQSZACIVSA-N 1 1 252.402 3.065 20 30 CGEDMO C=C(CC)C[NH2+][C@@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000453368456 331123625 /nfs/dbraw/zinc/12/36/25/331123625.db2.gz QKECOMIUSZSZRN-MRXNPFEDSA-N 1 1 273.355 3.204 20 30 CGEDMO C=CCC1(C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)CCCC1 ZINC000457090233 331212018 /nfs/dbraw/zinc/21/20/18/331212018.db2.gz LVUPUDZZFDJYNS-HNNXBMFYSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC1(C(=O)NCCCC[N@H+](C)C2CC2)CCCC1 ZINC000457192227 331214812 /nfs/dbraw/zinc/21/48/12/331214812.db2.gz YBDJOSPUSZADJD-UHFFFAOYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cc(Cl)c(O)c(OCC)c1 ZINC000459450539 331281926 /nfs/dbraw/zinc/28/19/26/331281926.db2.gz AKKGTMBNEUYQPH-UHFFFAOYSA-N 1 1 269.772 3.452 20 30 CGEDMO CN(C)CC[N@H+](Cc1ccsc1)CC(C)(C)CCC#N ZINC000459750484 331298326 /nfs/dbraw/zinc/29/83/26/331298326.db2.gz PTYGRFOPWXXWJD-UHFFFAOYSA-N 1 1 293.480 3.442 20 30 CGEDMO CN(C)CC[N@@H+](Cc1ccsc1)CC(C)(C)CCC#N ZINC000459750484 331298327 /nfs/dbraw/zinc/29/83/27/331298327.db2.gz PTYGRFOPWXXWJD-UHFFFAOYSA-N 1 1 293.480 3.442 20 30 CGEDMO CC#CCC[N@@H+]1CCC[C@@H](Cc2ccc(OC)cc2)C1 ZINC000462308874 331318974 /nfs/dbraw/zinc/31/89/74/331318974.db2.gz AZTIIERNBJSQGF-KRWDZBQOSA-N 1 1 271.404 3.363 20 30 CGEDMO CC#CCC[N@H+](C)[C@H]1CCCc2cc(OC)ccc21 ZINC000462310560 331319052 /nfs/dbraw/zinc/31/90/52/331319052.db2.gz CWSSCVXJGTZKOD-KRWDZBQOSA-N 1 1 257.377 3.418 20 30 CGEDMO C=C[C@H]1CCCCN1c1cc(C(C)C)[nH+]c(N(C)C)n1 ZINC000486474048 331938074 /nfs/dbraw/zinc/93/80/74/331938074.db2.gz WAAOPFGEDGRPHV-ZDUSSCGKSA-N 1 1 274.412 3.211 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCSC[C@@H](C)C1 ZINC000488370336 332002405 /nfs/dbraw/zinc/00/24/05/332002405.db2.gz GWNSESISFSWXLT-AWEZNQCLSA-N 1 1 277.433 3.436 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)OC ZINC000488972806 332036259 /nfs/dbraw/zinc/03/62/59/332036259.db2.gz FBZOJEPFCPRJOQ-ZNMIVQPWSA-N 1 1 265.397 3.006 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](CC)C[C@H](C)CC ZINC000489337917 332047467 /nfs/dbraw/zinc/04/74/67/332047467.db2.gz XWUVUYBBLCLOPW-CABCVRRESA-N 1 1 268.445 3.168 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000489422334 332051181 /nfs/dbraw/zinc/05/11/81/332051181.db2.gz DRUCTDBZMVRBDW-IEBWSBKVSA-N 1 1 298.430 3.294 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000489422334 332051183 /nfs/dbraw/zinc/05/11/83/332051183.db2.gz DRUCTDBZMVRBDW-IEBWSBKVSA-N 1 1 298.430 3.294 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000489422594 332051267 /nfs/dbraw/zinc/05/12/67/332051267.db2.gz GBCYCWXEJXUBQC-DOTOQJQBSA-N 1 1 286.419 3.247 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(CC)cc1 ZINC000489461873 332054020 /nfs/dbraw/zinc/05/40/20/332054020.db2.gz JMGOVAVLTLEJTN-INIZCTEOSA-N 1 1 272.392 3.228 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(CC)cc1 ZINC000489461873 332054022 /nfs/dbraw/zinc/05/40/22/332054022.db2.gz JMGOVAVLTLEJTN-INIZCTEOSA-N 1 1 272.392 3.228 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CCCCCn1cc(C)cn1 ZINC000489466201 332054393 /nfs/dbraw/zinc/05/43/93/332054393.db2.gz WXUJXHZBXNFKDU-INIZCTEOSA-N 1 1 261.413 3.402 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)[C@H](COC)c1ccc(Cl)cc1 ZINC000490038040 332077931 /nfs/dbraw/zinc/07/79/31/332077931.db2.gz TYPIWHZDKZQIMN-HZPDHXFCSA-N 1 1 297.826 3.286 20 30 CGEDMO Cc1ccc([C@H]2C[C@@H](C)[N@H+](CC3(C#N)CC3)C2)cc1 ZINC000490073661 332080180 /nfs/dbraw/zinc/08/01/80/332080180.db2.gz RCBZGRMSYGKTDX-ZBFHGGJFSA-N 1 1 254.377 3.477 20 30 CGEDMO C#CC[N@H+](Cc1cnc(C(C)(C)C)nc1)C1CCCC1 ZINC000491121750 332152753 /nfs/dbraw/zinc/15/27/53/332152753.db2.gz SHESTOZWRSLINA-UHFFFAOYSA-N 1 1 271.408 3.152 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1ncc(-c2ccc(OC)cc2)o1 ZINC000491164628 332159176 /nfs/dbraw/zinc/15/91/76/332159176.db2.gz CYNRFHQUNZQMOW-UHFFFAOYSA-N 1 1 284.359 3.194 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1ncc(-c2ccc(OC)cc2)o1 ZINC000491164628 332159177 /nfs/dbraw/zinc/15/91/77/332159177.db2.gz CYNRFHQUNZQMOW-UHFFFAOYSA-N 1 1 284.359 3.194 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1c(C)nc2scc(C3CC3)n12 ZINC000491296027 332184002 /nfs/dbraw/zinc/18/40/02/332184002.db2.gz KKRQOYJFYDCMKS-SNVBAGLBSA-N 1 1 273.405 3.035 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1c(C)nc2scc(C3CC3)n12 ZINC000491296027 332184003 /nfs/dbraw/zinc/18/40/03/332184003.db2.gz KKRQOYJFYDCMKS-SNVBAGLBSA-N 1 1 273.405 3.035 20 30 CGEDMO C#C[C@@H](Nc1cc(C)[nH+]c(C)n1)c1ccc(F)cc1 ZINC000491568497 332239821 /nfs/dbraw/zinc/23/98/21/332239821.db2.gz QUGQSJWABKJZKL-CQSZACIVSA-N 1 1 255.296 3.019 20 30 CGEDMO C#CC[N@H+](Cc1cnc(-c2ccsc2)s1)C1CC1 ZINC000491625808 332249637 /nfs/dbraw/zinc/24/96/37/332249637.db2.gz RWECTDXTHFYKMG-UHFFFAOYSA-N 1 1 274.414 3.469 20 30 CGEDMO C#CC[N@@H+](Cc1cnc(-c2ccsc2)s1)C1CC1 ZINC000491625808 332249638 /nfs/dbraw/zinc/24/96/38/332249638.db2.gz RWECTDXTHFYKMG-UHFFFAOYSA-N 1 1 274.414 3.469 20 30 CGEDMO C#CC[N@@H+](Cc1cnc(Br)s1)C1CCCC1 ZINC000491706566 332299402 /nfs/dbraw/zinc/29/94/02/332299402.db2.gz XBESUAGTSXRTLN-UHFFFAOYSA-N 1 1 299.237 3.283 20 30 CGEDMO C#CC[N@H+](Cc1cnc(Br)s1)C1CCCC1 ZINC000491706566 332299404 /nfs/dbraw/zinc/29/94/04/332299404.db2.gz XBESUAGTSXRTLN-UHFFFAOYSA-N 1 1 299.237 3.283 20 30 CGEDMO C#C[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1ccc(Cl)cc1F ZINC000491770463 332337125 /nfs/dbraw/zinc/33/71/25/332337125.db2.gz OOETTYZOBQHIMG-XHDPSFHLSA-N 1 1 291.757 3.028 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000491786580 332349336 /nfs/dbraw/zinc/34/93/36/332349336.db2.gz UKGJKUWDRZYIKL-ZDUSSCGKSA-N 1 1 285.309 3.082 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1cccn1C)c1ccc(Cl)cc1 ZINC000491786895 332349377 /nfs/dbraw/zinc/34/93/77/332349377.db2.gz URHWJAHGFSJRMJ-OAHLLOKOSA-N 1 1 258.752 3.143 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)c2ccc(F)cc2)n1 ZINC000491814066 332365564 /nfs/dbraw/zinc/36/55/64/332365564.db2.gz CHIGYYQHWHZFNU-AWEZNQCLSA-N 1 1 285.366 3.239 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)[C@@H](C)c2ccc(F)cc2)n1 ZINC000491814066 332365565 /nfs/dbraw/zinc/36/55/65/332365565.db2.gz CHIGYYQHWHZFNU-AWEZNQCLSA-N 1 1 285.366 3.239 20 30 CGEDMO C[C@@H](C#N)C[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000183841235 333122923 /nfs/dbraw/zinc/12/29/23/333122923.db2.gz KLLRQPFRBAYBMQ-VIFPVBQESA-N 1 1 290.260 3.016 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000190205246 333204598 /nfs/dbraw/zinc/20/45/98/333204598.db2.gz WJCPVIMHFFNRMW-VXGBXAGGSA-N 1 1 279.346 3.224 20 30 CGEDMO C=CC[N@H+](CCC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000152588756 333205846 /nfs/dbraw/zinc/20/58/46/333205846.db2.gz IASLHACWSUOKGN-UHFFFAOYSA-N 1 1 282.428 3.284 20 30 CGEDMO COc1ccccc1C[N@H+](C)CC#Cc1ccccc1 ZINC000191905158 333227263 /nfs/dbraw/zinc/22/72/63/333227263.db2.gz UEIOITXMDXCLGX-UHFFFAOYSA-N 1 1 265.356 3.179 20 30 CGEDMO COc1ccccc1C[N@@H+](C)CC#Cc1ccccc1 ZINC000191905158 333227264 /nfs/dbraw/zinc/22/72/64/333227264.db2.gz UEIOITXMDXCLGX-UHFFFAOYSA-N 1 1 265.356 3.179 20 30 CGEDMO C=CCCCCC[N@H+](CC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000193303755 333247527 /nfs/dbraw/zinc/24/75/27/333247527.db2.gz QFTHQILBSSYHIX-UHFFFAOYSA-N 1 1 299.418 3.491 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1cc(OC)cc(C(F)(F)F)c1 ZINC000529545764 333496087 /nfs/dbraw/zinc/49/60/87/333496087.db2.gz ZYQMDOSOIHUBQO-GFCCVEGCSA-N 1 1 286.297 3.496 20 30 CGEDMO COc1ccc(Cl)cc1C[NH2+]Cc1ccc(C#N)o1 ZINC000174315639 335152589 /nfs/dbraw/zinc/15/25/89/335152589.db2.gz HKHAAFPGWGRZLD-UHFFFAOYSA-N 1 1 276.723 3.103 20 30 CGEDMO N#CC1(C[NH+]2CCC(OCC3CCCCC3)CC2)CC1 ZINC000539452611 333672304 /nfs/dbraw/zinc/67/23/04/333672304.db2.gz FHVWJQXNESEQFC-UHFFFAOYSA-N 1 1 276.424 3.351 20 30 CGEDMO C=CCc1cc(CNc2[nH+]cccc2C)cc(OC)c1O ZINC000130943547 333890615 /nfs/dbraw/zinc/89/06/15/333890615.db2.gz DFUZEDMESGNYHX-UHFFFAOYSA-N 1 1 284.359 3.445 20 30 CGEDMO CC(C)C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC(C)(C)C ZINC000134463965 334091215 /nfs/dbraw/zinc/09/12/15/334091215.db2.gz IAJRFYHDLLBSQD-KRWDZBQOSA-N 1 1 295.471 3.045 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000078606587 334137063 /nfs/dbraw/zinc/13/70/63/334137063.db2.gz VOIHWILEVMYSOW-GOSISDBHSA-N 1 1 286.419 3.152 20 30 CGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2[C@H](C)C[C@@H]2C)c1 ZINC000548754358 334170066 /nfs/dbraw/zinc/17/00/66/334170066.db2.gz ZTGKZWCRRHHRAB-IYBDPMFKSA-N 1 1 299.418 3.033 20 30 CGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2[C@H](C)C[C@@H]2C)c1 ZINC000548754358 334170067 /nfs/dbraw/zinc/17/00/67/334170067.db2.gz ZTGKZWCRRHHRAB-IYBDPMFKSA-N 1 1 299.418 3.033 20 30 CGEDMO CCS[C@H]1CC[C@@H]([N@@H+](C)CCCSCC#N)C1 ZINC000080633274 334172886 /nfs/dbraw/zinc/17/28/86/334172886.db2.gz VCPYBLQYUBPUNK-OLZOCXBDSA-N 1 1 272.483 3.239 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000549445612 334194016 /nfs/dbraw/zinc/19/40/16/334194016.db2.gz AIDTUOZEZSUWHP-QGZVFWFLSA-N 1 1 259.393 3.243 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000551006599 334236167 /nfs/dbraw/zinc/23/61/67/334236167.db2.gz SZXNINIPJXQFJX-OAHLLOKOSA-N 1 1 290.451 3.254 20 30 CGEDMO CC[N@@H+](C[C@@H]1CCCC[C@H]1O)[C@@H](C)c1ccc(C#N)cc1 ZINC000576456012 335205431 /nfs/dbraw/zinc/20/54/31/335205431.db2.gz QBQQHTZCUIDQCU-JCGIZDLHSA-N 1 1 286.419 3.492 20 30 CGEDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000576706807 335237976 /nfs/dbraw/zinc/23/79/76/335237976.db2.gz AHAIDSOFHQBEND-BXUZGUMPSA-N 1 1 273.336 3.087 20 30 CGEDMO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NCc1ccc(C#N)s1 ZINC000176954795 335344700 /nfs/dbraw/zinc/34/47/00/335344700.db2.gz UDANGIYTWYZNBU-MGPQQGTHSA-N 1 1 291.464 3.076 20 30 CGEDMO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NCc1cc(C#N)cs1 ZINC000177689955 335379059 /nfs/dbraw/zinc/37/90/59/335379059.db2.gz UIFFYFNKVMXTCO-MGPQQGTHSA-N 1 1 291.464 3.076 20 30 CGEDMO N#Cc1ccc(C[N@@H+](C[C@H]2CCCCO2)C2CC2)cc1 ZINC000194967003 336041180 /nfs/dbraw/zinc/04/11/80/336041180.db2.gz CUNOZIBVIFKUAM-QGZVFWFLSA-N 1 1 270.376 3.092 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@H](O)C(C)(C)C ZINC000581847433 336151234 /nfs/dbraw/zinc/15/12/34/336151234.db2.gz JLPTVXTZEZBVFC-INIZCTEOSA-N 1 1 261.409 3.472 20 30 CGEDMO C[C@@H]([N@@H+](C)CCC(=O)Nc1cccc(C#N)c1)C1(C)CC1 ZINC000385767818 336156017 /nfs/dbraw/zinc/15/60/17/336156017.db2.gz JUAGXIWPLSCQKN-CYBMUJFWSA-N 1 1 285.391 3.007 20 30 CGEDMO CC[C@@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1ccc(C#N)cc1 ZINC000278618469 500723407 /nfs/dbraw/zinc/72/34/07/500723407.db2.gz GBSGJNKRCMDELS-HZPDHXFCSA-N 1 1 280.375 3.400 20 30 CGEDMO Cc1c(C#N)cccc1NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000355015472 533726266 /nfs/dbraw/zinc/72/62/66/533726266.db2.gz HYWSDUVXLSLVNV-OAHLLOKOSA-N 1 1 285.391 3.070 20 30 CGEDMO C[C@H]1CC[C@@]2(CC[N@@H+](CC(=O)Nc3ccc(C#N)cc3)C2)C1 ZINC000359541865 533731893 /nfs/dbraw/zinc/73/18/93/533731893.db2.gz DULBOYZWRYPVTM-KBXCAEBGSA-N 1 1 297.402 3.009 20 30 CGEDMO C[C@H](NCC[N@@H+](C)C1CCCC1)c1ccc(C#N)cc1F ZINC000358563366 533855505 /nfs/dbraw/zinc/85/55/05/533855505.db2.gz WGRVHBRVOZHYNL-ZDUSSCGKSA-N 1 1 289.398 3.222 20 30 CGEDMO C[C@H](CC[N@@H+](C)[C@H](C)CC#N)OCc1ccccc1 ZINC000354850471 533893862 /nfs/dbraw/zinc/89/38/62/533893862.db2.gz MEFFOTVCZOLBIO-HUUCEWRRSA-N 1 1 260.381 3.216 20 30 CGEDMO C[C@H]([NH2+]Cc1ccccc1C#N)c1cccc(O)c1 ZINC000161983177 533933962 /nfs/dbraw/zinc/93/39/62/533933962.db2.gz SUAULHZMGSLZMG-LBPRGKRZSA-N 1 1 252.317 3.115 20 30 CGEDMO Cc1ccc([C@H](C)[NH2+]Cc2nc(C#N)cs2)cc1C ZINC000352834941 534227336 /nfs/dbraw/zinc/22/73/36/534227336.db2.gz MLZSKFMLBPZZPH-LBPRGKRZSA-N 1 1 271.389 3.482 20 30 CGEDMO C[C@@H]([N@@H+](C)CCOc1ccccc1C#N)C1(C)CC1 ZINC000177239057 534285352 /nfs/dbraw/zinc/28/53/52/534285352.db2.gz LYTYDRXKLKECJG-CYBMUJFWSA-N 1 1 258.365 3.057 20 30 CGEDMO CC(C)C[N@@H+](CCCCCO)Cc1ccc(C#N)cc1 ZINC000339293724 519715349 /nfs/dbraw/zinc/71/53/49/519715349.db2.gz NVKIVMZLCOUTJC-UHFFFAOYSA-N 1 1 274.408 3.179 20 30 CGEDMO COc1cc(C[N@H+]2CC[C@H](c3ccco3)C2)ccc1C#N ZINC000374242297 522396791 /nfs/dbraw/zinc/39/67/91/522396791.db2.gz VWRDTICGBTXJEQ-HNNXBMFYSA-N 1 1 282.343 3.149 20 30 CGEDMO N#Cc1c(C[N@H+]2CC[C@@H]3CCC[C@@H]32)cn2ccccc12 ZINC000426486225 534761635 /nfs/dbraw/zinc/76/16/35/534761635.db2.gz LAEHHMIUYZLBND-BBRMVZONSA-N 1 1 265.360 3.185 20 30 CGEDMO N#Cc1c(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)cn2ccccc12 ZINC000426829597 534762101 /nfs/dbraw/zinc/76/21/01/534762101.db2.gz QEWVUEULBUZQOG-GASCZTMLSA-N 1 1 279.387 3.433 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1cccc2c1OCCO2 ZINC000352700701 526326979 /nfs/dbraw/zinc/32/69/79/526326979.db2.gz WXWAMTFZLFPYKT-UHFFFAOYSA-N 1 1 299.370 3.282 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1cnc2ccccn12 ZINC000352701569 526327515 /nfs/dbraw/zinc/32/75/15/526327515.db2.gz KRVJCWIEEOEDCK-UHFFFAOYSA-N 1 1 281.359 3.158 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cnc(-c2ccccn2)s1 ZINC000353151322 526505311 /nfs/dbraw/zinc/50/53/11/526505311.db2.gz LBOWNVKTMYSRNK-UHFFFAOYSA-N 1 1 259.378 3.213 20 30 CGEDMO C=CCOCCC[N@H+](CC)Cc1cccc(F)c1 ZINC000347960275 526747784 /nfs/dbraw/zinc/74/77/84/526747784.db2.gz FULDTMWSPKWQPQ-UHFFFAOYSA-N 1 1 251.345 3.240 20 30 CGEDMO C=CCOCCC[N@H+](C)Cc1ccc(OCC)cc1 ZINC000347958087 526747838 /nfs/dbraw/zinc/74/78/38/526747838.db2.gz BKJOFBBRLFSDLC-UHFFFAOYSA-N 1 1 263.381 3.110 20 30 CGEDMO C=CCOc1ccc(C[NH2+][C@H](COC)c2ccco2)cc1 ZINC000344798534 526890464 /nfs/dbraw/zinc/89/04/64/526890464.db2.gz CYOFXMBUPVIBOF-MRXNPFEDSA-N 1 1 287.359 3.322 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1C[C@@H](C)O[C@H](CC)C1 ZINC000352721138 526933867 /nfs/dbraw/zinc/93/38/67/526933867.db2.gz ZNYNNSKEQFLXJY-GDBMZVCRSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1C[C@@H](C)O[C@H](CC)C1 ZINC000352721138 526933870 /nfs/dbraw/zinc/93/38/70/526933870.db2.gz ZNYNNSKEQFLXJY-GDBMZVCRSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)N(C1CC1)C1CCC(C)CC1 ZINC000346975978 527192611 /nfs/dbraw/zinc/19/26/11/527192611.db2.gz YOGXNLDUQYCITI-UHFFFAOYSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347797199 527275107 /nfs/dbraw/zinc/27/51/07/527275107.db2.gz JMTYDZHWGIBSDO-LBPRGKRZSA-N 1 1 275.352 3.093 20 30 CGEDMO C=CCC[C@@H](O)C[NH+](Cc1ccco1)Cc1ccco1 ZINC000036103216 527452842 /nfs/dbraw/zinc/45/28/42/527452842.db2.gz WAVLKOIYWARXDU-CQSZACIVSA-N 1 1 275.348 3.202 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000334708647 527457176 /nfs/dbraw/zinc/45/71/76/527457176.db2.gz LDSARANZDCNBQZ-OAHLLOKOSA-N 1 1 268.360 3.481 20 30 CGEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1oc(C2CC2)nc1C ZINC000329215311 528233253 /nfs/dbraw/zinc/23/32/53/528233253.db2.gz MMMPVMKZHVSDBD-ZDUSSCGKSA-N 1 1 291.395 3.039 20 30 CGEDMO CC(C)C[C@@H](C[NH+]1CCCC1)NCc1cccc(C#N)c1 ZINC000449383986 528313639 /nfs/dbraw/zinc/31/36/39/528313639.db2.gz LJSGKBUTHISVBT-SFHVURJKSA-N 1 1 285.435 3.158 20 30 CGEDMO CC[N@@H+](CCNc1nc(C)c(C#N)cc1Cl)C(C)C ZINC000359878746 528519785 /nfs/dbraw/zinc/51/97/85/528519785.db2.gz NXDFPSDBDWNVIX-UHFFFAOYSA-N 1 1 280.803 3.057 20 30 CGEDMO CCCCOCC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425530113 528589347 /nfs/dbraw/zinc/58/93/47/528589347.db2.gz DQEJNINVVGLPNE-AWEZNQCLSA-N 1 1 260.381 3.368 20 30 CGEDMO CC(C)n1ncc2c1[C@@H]([NH2+]Cc1ccc(C#N)o1)CCC2 ZINC000368149519 528656363 /nfs/dbraw/zinc/65/63/63/528656363.db2.gz TXHYMTIWTVOQPJ-HNNXBMFYSA-N 1 1 284.363 3.096 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCOC1 ZINC000361237956 528770059 /nfs/dbraw/zinc/77/00/59/528770059.db2.gz RJYZOSYERYKTTH-CYBMUJFWSA-N 1 1 298.308 3.188 20 30 CGEDMO CCC(CC)[C@H](C[NH2+]Cc1cc(C#N)cs1)N(C)C ZINC000093492309 535146315 /nfs/dbraw/zinc/14/63/15/535146315.db2.gz IIWXXJZWNDMZLY-HNNXBMFYSA-N 1 1 279.453 3.076 20 30 CGEDMO CC1=C(C)C[N@@H+](CCCOc2cccc(C#N)c2)CC1 ZINC000483387700 535234251 /nfs/dbraw/zinc/23/42/51/535234251.db2.gz UJFROEIEOBIODC-UHFFFAOYSA-N 1 1 270.376 3.369 20 30 CGEDMO COc1cc(C#N)ccc1OCC[N@H+]1[C@H](C)CCC1(C)C ZINC000452005728 536883486 /nfs/dbraw/zinc/88/34/86/536883486.db2.gz KJTUOSDLRFRXJE-CYBMUJFWSA-N 1 1 288.391 3.209 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000740877325 571890885 /nfs/dbraw/zinc/89/08/85/571890885.db2.gz AZRVNIDLSUITDM-NEPJUHHUSA-N 1 1 267.335 3.344 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)C[C@@H](CC)c1ccccc1 ZINC000729812117 571932484 /nfs/dbraw/zinc/93/24/84/571932484.db2.gz MDGAHAOHHDSCAY-AEFFLSMTSA-N 1 1 299.414 3.211 20 30 CGEDMO C#CC[N@@H+](CC#CC)Cc1ccc(OC(F)(F)F)cc1 ZINC000743852231 572407729 /nfs/dbraw/zinc/40/77/29/572407729.db2.gz GIXCLYRUQQNCLO-UHFFFAOYSA-N 1 1 281.277 3.044 20 30 CGEDMO C#CC[N@H+](CC#CC)Cc1ccc(OC(F)(F)F)cc1 ZINC000743852231 572407734 /nfs/dbraw/zinc/40/77/34/572407734.db2.gz GIXCLYRUQQNCLO-UHFFFAOYSA-N 1 1 281.277 3.044 20 30 CGEDMO C=CCCCCCN(C)c1nc(N2CCCC2)cc[nH+]1 ZINC000739898937 572425678 /nfs/dbraw/zinc/42/56/78/572425678.db2.gz SLNBSLVYFGBYSR-UHFFFAOYSA-N 1 1 274.412 3.259 20 30 CGEDMO C#CCSCCNc1cc[nH+]c2ccc(Cl)cc12 ZINC000739898788 572425731 /nfs/dbraw/zinc/42/57/31/572425731.db2.gz HXWGQHHBQNXZSN-UHFFFAOYSA-N 1 1 276.792 3.088 20 30 CGEDMO C=CC[N@H+](CCc1nc(-c2ccccc2)no1)C(C)C ZINC000740875268 572464118 /nfs/dbraw/zinc/46/41/18/572464118.db2.gz PLVOFOIYFDCTFU-UHFFFAOYSA-N 1 1 271.364 3.176 20 30 CGEDMO CCCCCCC[N@H+]1CCCC[C@H]1CN1CCCC1=O ZINC000740877619 572465131 /nfs/dbraw/zinc/46/51/31/572465131.db2.gz TVHIZVABUJVELU-INIZCTEOSA-N 1 1 280.456 3.434 20 30 CGEDMO C=C(C)COC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000741326494 572493181 /nfs/dbraw/zinc/49/31/81/572493181.db2.gz LSWPLMVFLZBZNX-HNNXBMFYSA-N 1 1 291.366 3.157 20 30 CGEDMO CC[N@H+](CCN1CCCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000741754042 572522155 /nfs/dbraw/zinc/52/21/55/572522155.db2.gz GLHCEURQDJDWBI-OAHLLOKOSA-N 1 1 271.408 3.037 20 30 CGEDMO CC[N@@H+](CCN1CCCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000741754042 572522159 /nfs/dbraw/zinc/52/21/59/572522159.db2.gz GLHCEURQDJDWBI-OAHLLOKOSA-N 1 1 271.408 3.037 20 30 CGEDMO C#CC[N@@H+](CC#CC)Cc1cccc(OCC(F)(F)F)c1 ZINC000743854926 572690709 /nfs/dbraw/zinc/69/07/09/572690709.db2.gz SSMVHTGLBHDGJB-UHFFFAOYSA-N 1 1 295.304 3.086 20 30 CGEDMO C#CC[N@H+](CC#CC)Cc1cccc(OCC(F)(F)F)c1 ZINC000743854926 572690712 /nfs/dbraw/zinc/69/07/12/572690712.db2.gz SSMVHTGLBHDGJB-UHFFFAOYSA-N 1 1 295.304 3.086 20 30 CGEDMO CC(C)[C@H]1CCC[N@H+]1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000744146625 572713837 /nfs/dbraw/zinc/71/38/37/572713837.db2.gz HXZIVWRUJAZPQI-GOSISDBHSA-N 1 1 294.402 3.500 20 30 CGEDMO C=C(Cl)C[NH2+][C@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000735563929 572731410 /nfs/dbraw/zinc/73/14/10/572731410.db2.gz YTNJBIWDWBTDME-GFCCVEGCSA-N 1 1 293.716 3.255 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccc(SC(F)F)cc1 ZINC000746456906 572872223 /nfs/dbraw/zinc/87/22/23/572872223.db2.gz RHQNMZPZJVTGHJ-UHFFFAOYSA-N 1 1 255.333 3.456 20 30 CGEDMO CCCCCCC[N@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000747966719 572956687 /nfs/dbraw/zinc/95/66/87/572956687.db2.gz HTMBFVNQDBGUJS-GFCCVEGCSA-N 1 1 269.389 3.179 20 30 CGEDMO CCCCCCC[N@@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000747966719 572956688 /nfs/dbraw/zinc/95/66/88/572956688.db2.gz HTMBFVNQDBGUJS-GFCCVEGCSA-N 1 1 269.389 3.179 20 30 CGEDMO CC[N@@H+](CCc1ccccn1)Cc1ccc(OC)c(C#N)c1 ZINC000749522835 573015032 /nfs/dbraw/zinc/01/50/32/573015032.db2.gz LQFPKASZZYPQKL-UHFFFAOYSA-N 1 1 295.386 3.026 20 30 CGEDMO C=CCC[N@H+](C)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000749802001 573039719 /nfs/dbraw/zinc/03/97/19/573039719.db2.gz MEPYNFVMAKNIEI-UHFFFAOYSA-N 1 1 282.428 3.330 20 30 CGEDMO C=CCCCCC[N@H+](C)CN1C(=O)[C@@H]2CCCCC[C@@H]21 ZINC000749955927 573067934 /nfs/dbraw/zinc/06/79/34/573067934.db2.gz VJRXZDPAUSTUPC-CVEARBPZSA-N 1 1 278.440 3.413 20 30 CGEDMO C=CC[N@H+](Cc1cc(C(=O)OC)oc1CC)C(C)C ZINC000750040654 573077452 /nfs/dbraw/zinc/07/74/52/573077452.db2.gz ZEEFJGBCOSGIJT-UHFFFAOYSA-N 1 1 265.353 3.025 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C(C)C)c2)C[C@H]1C ZINC000947896015 613236483 /nfs/dbraw/zinc/23/64/83/613236483.db2.gz UHIADZFIXVBVNC-CRAIPNDOSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)C2(CC)CCC2)CC1 ZINC000981787526 613251342 /nfs/dbraw/zinc/25/13/42/613251342.db2.gz NFTKGTMJRNYPPT-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H](F)C2)CC1 ZINC000981143076 613253698 /nfs/dbraw/zinc/25/36/98/613253698.db2.gz AAVSETGSXXEICS-HZPDHXFCSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC2(C)C)CC1 ZINC000948306841 613256605 /nfs/dbraw/zinc/25/66/05/613256605.db2.gz QFQKAIGJHLUULN-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2(F)CCCC2)[C@@H](C)C1 ZINC000942201539 613270367 /nfs/dbraw/zinc/27/03/67/613270367.db2.gz XJMRIPPNBORRQL-GJZGRUSLSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C2CC2)C(C)(C)C1 ZINC000940655451 613271757 /nfs/dbraw/zinc/27/17/57/613271757.db2.gz NAXHWQPKRKJILG-ZBFHGGJFSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2ccccc2)C(C)(C)C1 ZINC000972770128 613274091 /nfs/dbraw/zinc/27/40/91/613274091.db2.gz VAZCSBGONDQCAN-MRXNPFEDSA-N 1 1 286.419 3.093 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)/C(C)=C\C)CC[C@@H]2C1 ZINC000946545215 613278322 /nfs/dbraw/zinc/27/83/22/613278322.db2.gz GATYCAHGAIUTED-YPFPCPGCSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccccc2Cl)C1 ZINC000972778232 613286412 /nfs/dbraw/zinc/28/64/12/613286412.db2.gz RYPJOQKFVOSIET-CYBMUJFWSA-N 1 1 292.810 3.062 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)CC2(C)CCCCC2)C1 ZINC000971915353 613288306 /nfs/dbraw/zinc/28/83/06/613288306.db2.gz VQASNMXDPXNMMS-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC000971591734 613290400 /nfs/dbraw/zinc/29/04/00/613290400.db2.gz JEYMKICYKNMOJC-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC000968959355 613306160 /nfs/dbraw/zinc/30/61/60/613306160.db2.gz BXLUPZKEPPQVCO-JFIYKMOQSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1cocc1C ZINC000968984659 613306605 /nfs/dbraw/zinc/30/66/05/613306605.db2.gz GJVQLATUUKZNSJ-OAHLLOKOSA-N 1 1 290.407 3.139 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)C(C)=C2CCC2)CC1 ZINC000948361539 613313882 /nfs/dbraw/zinc/31/38/82/613313882.db2.gz HLLVPWHNGPMWEB-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C=C(C)C)C1 ZINC000963249006 613315510 /nfs/dbraw/zinc/31/55/10/613315510.db2.gz FWNBUDVMKYKRJS-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cscc2C)[C@H](C)C1 ZINC000941905227 613331330 /nfs/dbraw/zinc/33/13/30/613331330.db2.gz XVTIVIAGDUVFAC-IUODEOHRSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2c(C)coc2C)C[C@@H]1C ZINC000947272009 613335943 /nfs/dbraw/zinc/33/59/43/613335943.db2.gz QWZGLTISAFSWEY-ZFWWWQNUSA-N 1 1 290.407 3.055 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccccc2C)[C@H](C)C1 ZINC000941767102 613336227 /nfs/dbraw/zinc/33/62/27/613336227.db2.gz DSRJODKOHPKIJP-WBVHZDCISA-N 1 1 286.419 3.011 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2sccc2C)[C@H](C)C1 ZINC000941746526 613337260 /nfs/dbraw/zinc/33/72/60/613337260.db2.gz HHPAHIVGKMCXKJ-KGLIPLIRSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000981242161 613367660 /nfs/dbraw/zinc/36/76/60/613367660.db2.gz DYJPGLGGOKKJLA-UHFFFAOYSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)C2(CC)CCCC2)C1 ZINC000972644731 613369563 /nfs/dbraw/zinc/36/95/63/613369563.db2.gz KJMLHKLYENKNPK-AWEZNQCLSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)C2(CC)CCCC2)C1 ZINC000972644731 613369564 /nfs/dbraw/zinc/36/95/64/613369564.db2.gz KJMLHKLYENKNPK-AWEZNQCLSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CC(C)(C)C2)[C@H](C)C1 ZINC000942019519 613376052 /nfs/dbraw/zinc/37/60/52/613376052.db2.gz FCBLHJLTVLKCPK-BXUZGUMPSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CC(C)(C)C2)[C@H](C)C1 ZINC000942019519 613376053 /nfs/dbraw/zinc/37/60/53/613376053.db2.gz FCBLHJLTVLKCPK-BXUZGUMPSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CC=C(C)C)C[C@@H]2C)C1 ZINC000942607452 613400904 /nfs/dbraw/zinc/40/09/04/613400904.db2.gz FWUDVOIXQJGIJV-HOTGVXAUSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2C[N@H+](CC=C(C)C)CC2(C)C)C1 ZINC000975032465 613401581 /nfs/dbraw/zinc/40/15/81/613401581.db2.gz YBOPWKNYBRJNEH-HNNXBMFYSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[N@@H+](CCC(=C)C)CC1 ZINC000981887428 613473044 /nfs/dbraw/zinc/47/30/44/613473044.db2.gz DWJAMJRHKAHQKR-KRWDZBQOSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)c2cc3ccccc3o2)C1 ZINC000957358549 613479585 /nfs/dbraw/zinc/47/95/85/613479585.db2.gz XPXTZONCNXUXRM-UHFFFAOYSA-N 1 1 298.386 3.155 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC1(C)C ZINC000968994256 613490720 /nfs/dbraw/zinc/49/07/20/613490720.db2.gz RIFLWYDZZIPBEX-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000963403067 613500458 /nfs/dbraw/zinc/50/04/58/613500458.db2.gz IPPOMVGSFVBDNX-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)C(C)=C2CCC2)CC1 ZINC000948365944 613500894 /nfs/dbraw/zinc/50/08/94/613500894.db2.gz VWKIINFUKONKSP-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[N@@H+](CCC(C)C)CC1 ZINC000981887384 613501870 /nfs/dbraw/zinc/50/18/70/613501870.db2.gz COFIZKHIVQEALR-QGZVFWFLSA-N 1 1 280.456 3.169 20 30 CGEDMO C=Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC(=C)C)CC[C@H]2C)cc1 ZINC000968339412 613515183 /nfs/dbraw/zinc/51/51/83/613515183.db2.gz GWFPOQNJQRNTBI-CRAIPNDOSA-N 1 1 298.430 3.346 20 30 CGEDMO C=Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=C)C)C[C@H]2C)cc1 ZINC000942892191 613515577 /nfs/dbraw/zinc/51/55/77/613515577.db2.gz DOSKZUHDZSLZIR-QAPCUYQASA-N 1 1 298.430 3.346 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C(F)=C2CCCC2)C[C@@H]1C ZINC000947195970 613519205 /nfs/dbraw/zinc/51/92/05/613519205.db2.gz OYACPJLWIKNQPI-DZGCQCFKSA-N 1 1 294.414 3.329 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)CC2=CCCCC2)[C@@H](C)C1 ZINC000941900252 613520227 /nfs/dbraw/zinc/52/02/27/613520227.db2.gz QYUDQAKXAOEASY-DOTOQJQBSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C=C)cc2)[C@H](C)C1 ZINC000942897272 613523916 /nfs/dbraw/zinc/52/39/16/613523916.db2.gz VZDOQESYJVWKSM-CRAIPNDOSA-N 1 1 298.430 3.346 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccoc2Cl)C[C@@H]1C ZINC000947248185 613525854 /nfs/dbraw/zinc/52/58/54/613525854.db2.gz GECXLTJYFJKQEZ-NWDGAFQWSA-N 1 1 296.798 3.092 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccsc2C)C[C@H]1C ZINC000947280503 613525959 /nfs/dbraw/zinc/52/59/59/613525959.db2.gz BLDMYHLXUBGSCE-TZMCWYRMSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(C)c2)C[C@H]1C ZINC000947022155 613538991 /nfs/dbraw/zinc/53/89/91/613538991.db2.gz RVLQDXHHGUFWFY-WBVHZDCISA-N 1 1 286.419 3.154 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cscc2C)C[C@@H]1C ZINC000947169993 613542147 /nfs/dbraw/zinc/54/21/47/613542147.db2.gz BLVIDAGCJMOZIX-KBPBESRZSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2oc(C)cc2C)C[C@@H]1C ZINC000947166535 613542781 /nfs/dbraw/zinc/54/27/81/613542781.db2.gz OSVXMUFNXLHOLZ-ZFWWWQNUSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CCC[N@H+]1C[C@H](NC(=O)C(F)=C2CCCC2)C(C)(C)C1 ZINC000973043188 613553486 /nfs/dbraw/zinc/55/34/86/613553486.db2.gz NPDJXDFUKCJQKY-AWEZNQCLSA-N 1 1 294.414 3.187 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(C(C)C)c1 ZINC000962193370 613566306 /nfs/dbraw/zinc/56/63/06/613566306.db2.gz HZLUDILTTWMTOM-PIIMJCKOSA-N 1 1 298.430 3.046 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)c2cc3cccc(C)c3o2)C1 ZINC000980493277 613620340 /nfs/dbraw/zinc/62/03/40/613620340.db2.gz GWWVUSJFFOGJJE-OAHLLOKOSA-N 1 1 298.386 3.074 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC000969121853 613683603 /nfs/dbraw/zinc/68/36/03/613683603.db2.gz PILULQPSISVNBC-BRWVUGGUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccccc2C)CC1 ZINC000948159519 613702454 /nfs/dbraw/zinc/70/24/54/613702454.db2.gz OCVIYWZUWWHDRH-MRXNPFEDSA-N 1 1 286.419 3.108 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC2(C)CC2)C1 ZINC000963335994 613703829 /nfs/dbraw/zinc/70/38/29/613703829.db2.gz BBGCGMQRFRHJMI-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)C2CCC(F)CC2)CC1 ZINC000948741725 613704122 /nfs/dbraw/zinc/70/41/22/613704122.db2.gz DODLRFLTQFRFSR-GPANFISMSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)c2ccsc2C)CC1 ZINC000948354768 613705949 /nfs/dbraw/zinc/70/59/49/613705949.db2.gz VRNZLHSFKOIBLY-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2(C)CCCCCC2)C1 ZINC000966752983 613731837 /nfs/dbraw/zinc/73/18/37/613731837.db2.gz NPVMHXKCXMSALW-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2coc3ccccc23)C[C@H]1C ZINC000948093783 613759455 /nfs/dbraw/zinc/75/94/55/613759455.db2.gz AKDXTZWQHLZKTR-ZIAGYGMSSA-N 1 1 298.386 3.202 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C2CCC(C)(C)CC2)C1 ZINC000968693417 613767006 /nfs/dbraw/zinc/76/70/06/613767006.db2.gz ZDQCHMVNVYHEHC-HOCLYGCPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)C[C@@H]1C ZINC000948085802 613779337 /nfs/dbraw/zinc/77/93/37/613779337.db2.gz CORYFSRLTFZYII-KBPBESRZSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C23CCC(CC2)CC3)C[C@H]1C ZINC000948071129 613780442 /nfs/dbraw/zinc/78/04/42/613780442.db2.gz VPCHKSJQYRUKLM-CTMQZQKCSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC2(C)C)C(C)(C)C1 ZINC000940960360 613784392 /nfs/dbraw/zinc/78/43/92/613784392.db2.gz FIEOLNRJXRBVKH-GJZGRUSLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C)c(C)c2)C[C@@H]1C ZINC000947999079 613789866 /nfs/dbraw/zinc/78/98/66/613789866.db2.gz UCEAYRTWZZGTAW-RDJZCZTQSA-N 1 1 286.419 3.072 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C)cc2C)C[C@H]1C ZINC000947993443 613789912 /nfs/dbraw/zinc/78/99/12/613789912.db2.gz BOVUHZPCZFSFLJ-CVEARBPZSA-N 1 1 286.419 3.072 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)s2)C[C@@H]1C ZINC000947997984 613790578 /nfs/dbraw/zinc/79/05/78/613790578.db2.gz HFXCZLXITWJCKK-QWRGUYRKSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccsc2C)C(C)(C)C1 ZINC000940725880 613794637 /nfs/dbraw/zinc/79/46/37/613794637.db2.gz HVNYAXQSLYGAOH-AWEZNQCLSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(Cc2ccccc2C)no1 ZINC000900014883 620745977 /nfs/dbraw/zinc/74/59/77/620745977.db2.gz DRMNZXJTSTTYSN-CQSZACIVSA-N 1 1 271.364 3.325 20 30 CGEDMO C#CCO[NH+]=C(C)c1ccc(N2CCCCC2)c(F)c1 ZINC000812236550 617742836 /nfs/dbraw/zinc/74/28/36/617742836.db2.gz RJKAHOIVAYJBHU-UHFFFAOYSA-N 1 1 274.339 3.190 20 30 CGEDMO C=C(C)c1cccc(NC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC000890888627 617891255 /nfs/dbraw/zinc/89/12/55/617891255.db2.gz HZFYGXXCGPREDE-CYBMUJFWSA-N 1 1 258.365 3.000 20 30 CGEDMO C=C(C)c1cccc(NC(=O)C[N@@H+](C)[C@@H]2CCSC2)c1 ZINC000890890266 617892204 /nfs/dbraw/zinc/89/22/04/617892204.db2.gz NZKIKTVVNXUWGG-OAHLLOKOSA-N 1 1 290.432 3.096 20 30 CGEDMO C=C(C)c1cccc(NC(=O)C[N@H+](C)[C@@H]2CCSC2)c1 ZINC000890890266 617892206 /nfs/dbraw/zinc/89/22/06/617892206.db2.gz NZKIKTVVNXUWGG-OAHLLOKOSA-N 1 1 290.432 3.096 20 30 CGEDMO C=C1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC)CC1 ZINC001021366803 617968156 /nfs/dbraw/zinc/96/81/56/617968156.db2.gz DSYCJBIEOXRXSQ-ALOPSCKCSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC2CCC2)C1 ZINC001021556039 618040637 /nfs/dbraw/zinc/04/06/37/618040637.db2.gz QFTQFJVSCUSXGY-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(F)=C(C)C)C1 ZINC001021562595 618045544 /nfs/dbraw/zinc/04/55/44/618045544.db2.gz LIUCHCXUJCQAHF-GJZGRUSLSA-N 1 1 294.414 3.139 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000933080221 618140316 /nfs/dbraw/zinc/14/03/16/618140316.db2.gz BHDNFSUZEOZYCZ-IBGZPJMESA-N 1 1 283.415 3.177 20 30 CGEDMO C#CC[N@H+](CCC(OC)OC)[C@@H]1CCCc2ccccc21 ZINC000933421832 618229206 /nfs/dbraw/zinc/22/92/06/618229206.db2.gz YCLYWZHPIGSNNH-QGZVFWFLSA-N 1 1 287.403 3.008 20 30 CGEDMO CCc1cnc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)o1 ZINC000933613396 618256603 /nfs/dbraw/zinc/25/66/03/618256603.db2.gz WFMDQTHLPYMPNT-UHFFFAOYSA-N 1 1 295.386 3.488 20 30 CGEDMO C=CC[N@@H+](Cc1cn(CC)nc1C)Cc1cccc(C#N)c1 ZINC000891805616 618310070 /nfs/dbraw/zinc/31/00/70/618310070.db2.gz NQBSMVXUYICVLJ-UHFFFAOYSA-N 1 1 294.402 3.271 20 30 CGEDMO C=CC[N@H+](Cc1cn(CC)nc1C)Cc1cccc(C#N)c1 ZINC000891805616 618310082 /nfs/dbraw/zinc/31/00/82/618310082.db2.gz NQBSMVXUYICVLJ-UHFFFAOYSA-N 1 1 294.402 3.271 20 30 CGEDMO C[N@@H+](CCCC(C)(F)F)Cc1cc(C#N)cs1 ZINC000933769790 618320508 /nfs/dbraw/zinc/32/05/08/618320508.db2.gz FUQNVTFXDMOJOU-UHFFFAOYSA-N 1 1 258.337 3.487 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1ccccc1)Cc1cc(C#N)cs1 ZINC000933777297 618326646 /nfs/dbraw/zinc/32/66/46/618326646.db2.gz IZSJBQYXRLUBIK-UHFFFAOYSA-N 1 1 299.399 3.080 20 30 CGEDMO CC(C)CC(N)=[NH+]OCc1ccc(OC(F)F)cc1 ZINC000065204206 618449106 /nfs/dbraw/zinc/44/91/06/618449106.db2.gz GABVJAGMQWHTNX-UHFFFAOYSA-N 1 1 272.295 3.123 20 30 CGEDMO CCCCC1([NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000934203342 618531875 /nfs/dbraw/zinc/53/18/75/618531875.db2.gz QUCGSPPNLYOVPN-UHFFFAOYSA-N 1 1 273.336 3.279 20 30 CGEDMO C[C@@H]1c2cccn2CC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000051498875 618603463 /nfs/dbraw/zinc/60/34/63/618603463.db2.gz CJSILRDZSOKBLZ-OAHLLOKOSA-N 1 1 295.386 3.205 20 30 CGEDMO C[C@@H]1c2cccn2CC[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC000051498875 618603465 /nfs/dbraw/zinc/60/34/65/618603465.db2.gz CJSILRDZSOKBLZ-OAHLLOKOSA-N 1 1 295.386 3.205 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1ccn(CCc2ccccc2)n1 ZINC000934460513 618623292 /nfs/dbraw/zinc/62/32/92/618623292.db2.gz PXEOYLYWVYAIAB-SFHVURJKSA-N 1 1 281.403 3.276 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1ccn(CCc2ccccc2)n1 ZINC000934460513 618623294 /nfs/dbraw/zinc/62/32/94/618623294.db2.gz PXEOYLYWVYAIAB-SFHVURJKSA-N 1 1 281.403 3.276 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1ccccc1CC ZINC000934472437 618628171 /nfs/dbraw/zinc/62/81/71/618628171.db2.gz QSOIFHDQSWGQIT-DZGCQCFKSA-N 1 1 272.392 3.226 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C[C@@H]1CCc2ccccc21)C1CC1 ZINC000780302545 618656681 /nfs/dbraw/zinc/65/66/81/618656681.db2.gz QATJNNJNMNMPNU-ZFWWWQNUSA-N 1 1 254.377 3.340 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2ccc(Cl)c(F)c2)nc1 ZINC000780555656 618667425 /nfs/dbraw/zinc/66/74/25/618667425.db2.gz JBVYUEIHKCSYCV-UHFFFAOYSA-N 1 1 275.714 3.036 20 30 CGEDMO CCOc1ccc(CC[N@@H+](C)Cc2cncc(C#N)c2)cc1 ZINC000934719387 618674276 /nfs/dbraw/zinc/67/42/76/618674276.db2.gz OVDWHDDAMUZGLF-UHFFFAOYSA-N 1 1 295.386 3.026 20 30 CGEDMO CC#CCC[N@@H+](CC(C)C)C[C@@H](O)c1ccc(F)cc1 ZINC000155783922 618705243 /nfs/dbraw/zinc/70/52/43/618705243.db2.gz QHQHDSDJXXIFQS-QGZVFWFLSA-N 1 1 277.383 3.231 20 30 CGEDMO C=C(C)CCc1noc([C@@H]2CC[N@@H+]2C2CCCC2)n1 ZINC000924066480 618720248 /nfs/dbraw/zinc/72/02/48/618720248.db2.gz CVMLGLFZNCSPNE-ZDUSSCGKSA-N 1 1 261.369 3.268 20 30 CGEDMO C=C(C)CCc1noc([C@@H]2CC[N@H+]2C2CCCC2)n1 ZINC000924066480 618720250 /nfs/dbraw/zinc/72/02/50/618720250.db2.gz CVMLGLFZNCSPNE-ZDUSSCGKSA-N 1 1 261.369 3.268 20 30 CGEDMO CCc1nn(C)cc1C[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000179722662 618800092 /nfs/dbraw/zinc/80/00/92/618800092.db2.gz MJTCDLGZBPDRMH-CQSZACIVSA-N 1 1 296.418 3.437 20 30 CGEDMO Cc1[nH+]ccn1CCCNc1cc(C)cc(F)c1C#N ZINC000892667469 618893268 /nfs/dbraw/zinc/89/32/68/618893268.db2.gz ZTCOXAJDIWQHJV-UHFFFAOYSA-N 1 1 272.327 3.013 20 30 CGEDMO C[C@@H]1Cc2ccccc2C[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000178329915 618972087 /nfs/dbraw/zinc/97/20/87/618972087.db2.gz ZUKDIDXYAFVHEG-KUHUBIRLSA-N 1 1 292.382 3.038 20 30 CGEDMO COc1ccc(C[NH2+][C@@H](C)c2cccc(C#N)c2)o1 ZINC000893077477 618990263 /nfs/dbraw/zinc/99/02/63/618990263.db2.gz JFFVNKNCZZJDCD-NSHDSACASA-N 1 1 256.305 3.011 20 30 CGEDMO Cc1noc([C@@H]2CCC[N@@H+]2Cc2c(C)cc(C#N)cc2C)n1 ZINC000930479693 619001076 /nfs/dbraw/zinc/00/10/76/619001076.db2.gz IGSOQNZTOWUQTM-INIZCTEOSA-N 1 1 296.374 3.204 20 30 CGEDMO Cc1noc([C@@H]2CCC[N@H+]2Cc2c(C)cc(C#N)cc2C)n1 ZINC000930479693 619001077 /nfs/dbraw/zinc/00/10/77/619001077.db2.gz IGSOQNZTOWUQTM-INIZCTEOSA-N 1 1 296.374 3.204 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](CC2CCC(C#N)CC2)CCCO1 ZINC000930588103 619023785 /nfs/dbraw/zinc/02/37/85/619023785.db2.gz DEJVMKASRFFIKC-GPANFISMSA-N 1 1 264.413 3.063 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1cnc(CC(F)(F)F)s1 ZINC000893351472 619126208 /nfs/dbraw/zinc/12/62/08/619126208.db2.gz SEVOJQQUYNCZLB-UHFFFAOYSA-N 1 1 270.707 3.090 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)C[C@@H]1CCC=CO1 ZINC000193881366 619134547 /nfs/dbraw/zinc/13/45/47/619134547.db2.gz LQXNTPSUZQKIJZ-HNNXBMFYSA-N 1 1 250.386 3.331 20 30 CGEDMO C[N@H+](C[C@@H]1CCC[C@H](C(F)(F)F)O1)[C@@H]1CCC[C@H]1C#N ZINC000931473554 619178319 /nfs/dbraw/zinc/17/83/19/619178319.db2.gz ABKKUIKGAORCPH-WUHRBBMRSA-N 1 1 290.329 3.110 20 30 CGEDMO C[N@@H+](C[C@@H]1CCC[C@H](C(F)(F)F)O1)[C@@H]1CCC[C@H]1C#N ZINC000931473554 619178320 /nfs/dbraw/zinc/17/83/20/619178320.db2.gz ABKKUIKGAORCPH-WUHRBBMRSA-N 1 1 290.329 3.110 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@H](Cc3ccncc3)C2)cs1 ZINC000893502937 619195207 /nfs/dbraw/zinc/19/52/07/619195207.db2.gz WWRNYMGIYXCWEU-CQSZACIVSA-N 1 1 283.400 3.079 20 30 CGEDMO C[N@@H+](Cc1csc(C#N)c1)CC1(O)CCCCCC1 ZINC000893715696 619304968 /nfs/dbraw/zinc/30/49/68/619304968.db2.gz CZNVOKILXJYYDT-UHFFFAOYSA-N 1 1 278.421 3.137 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)Cc1c(C)ccnc1N ZINC000893908909 619334358 /nfs/dbraw/zinc/33/43/58/619334358.db2.gz GBNNBINOUZWHJL-UHFFFAOYSA-N 1 1 273.405 3.222 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)Cc1c(C)ccnc1N ZINC000893908909 619334360 /nfs/dbraw/zinc/33/43/60/619334360.db2.gz GBNNBINOUZWHJL-UHFFFAOYSA-N 1 1 273.405 3.222 20 30 CGEDMO COCC[N@@H+](Cc1csc(C#N)c1)[C@@H]1CC[C@@H](C)C1 ZINC000894002050 619349553 /nfs/dbraw/zinc/34/95/53/619349553.db2.gz UPBPBHMCNAXLJH-TZMCWYRMSA-N 1 1 278.421 3.257 20 30 CGEDMO CC(C)c1[nH+]ccn1CCCOc1ccc(C#N)cc1 ZINC000034674821 619376149 /nfs/dbraw/zinc/37/61/49/619376149.db2.gz UOIUIOJRAUFLLF-UHFFFAOYSA-N 1 1 269.348 3.347 20 30 CGEDMO C#CCCCCCC[N@@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000877608649 619412943 /nfs/dbraw/zinc/41/29/43/619412943.db2.gz YAPXFCFFLWFTNH-MRXNPFEDSA-N 1 1 263.425 3.461 20 30 CGEDMO C=CC[C@H](C)[N@@H+](C)C[C@@H](O)c1ccccc1Br ZINC000878692379 619444853 /nfs/dbraw/zinc/44/48/53/619444853.db2.gz YHNWVWCGODUMDP-SMDDNHRTSA-N 1 1 298.224 3.379 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)cs1 ZINC000894543823 619570543 /nfs/dbraw/zinc/57/05/43/619570543.db2.gz FGINDHNFUQFEGR-CQSZACIVSA-N 1 1 258.390 3.384 20 30 CGEDMO Cc1cc(C[NH2+]CC2(C#N)CCC2)c2c(n1)CCCC2 ZINC000894966350 619688287 /nfs/dbraw/zinc/68/82/87/619688287.db2.gz LZYZIUWKMKDMOU-UHFFFAOYSA-N 1 1 269.392 3.052 20 30 CGEDMO CC(C)CCC(N)=[NH+]OCc1cc(-c2ccco2)on1 ZINC000049322595 619733414 /nfs/dbraw/zinc/73/34/14/619733414.db2.gz BBGJDVUGVWQDKX-UHFFFAOYSA-N 1 1 277.324 3.160 20 30 CGEDMO C[C@@]1(Br)C[C@@H]1C[N@@H+]1Cc2ccc(C#N)cc2C1 ZINC000895215457 619783015 /nfs/dbraw/zinc/78/30/15/619783015.db2.gz OSZAIUUVNSOOHO-ZIAGYGMSSA-N 1 1 291.192 3.047 20 30 CGEDMO C[C@@]1(Br)C[C@@H]1C[N@H+]1Cc2ccc(C#N)cc2C1 ZINC000895215457 619783017 /nfs/dbraw/zinc/78/30/17/619783017.db2.gz OSZAIUUVNSOOHO-ZIAGYGMSSA-N 1 1 291.192 3.047 20 30 CGEDMO COCc1c(C)cc(C)c(C[N@@H+]2CC[C@@](C)(C#N)C2)c1C ZINC000895336033 619807091 /nfs/dbraw/zinc/80/70/91/619807091.db2.gz RKZDKLZASIUNCU-SFHVURJKSA-N 1 1 286.419 3.494 20 30 CGEDMO COCc1c(C)cc(C)c(C[N@H+]2CC[C@@](C)(C#N)C2)c1C ZINC000895336033 619807095 /nfs/dbraw/zinc/80/70/95/619807095.db2.gz RKZDKLZASIUNCU-SFHVURJKSA-N 1 1 286.419 3.494 20 30 CGEDMO CN(c1ccccc1)[C@H]1CC[N@@H+](Cc2csc(C#N)c2)C1 ZINC000895437029 619828601 /nfs/dbraw/zinc/82/86/01/619828601.db2.gz UAHPEOKODQUYRF-INIZCTEOSA-N 1 1 297.427 3.330 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@H+](C)Cc2ccns2)cc1 ZINC000895453557 619830553 /nfs/dbraw/zinc/83/05/53/619830553.db2.gz MTUBLVQIQYGIQL-LBPRGKRZSA-N 1 1 287.388 3.066 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)Cc2ccns2)cc1 ZINC000895453557 619830556 /nfs/dbraw/zinc/83/05/56/619830556.db2.gz MTUBLVQIQYGIQL-LBPRGKRZSA-N 1 1 287.388 3.066 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2c(Cl)n[nH]c2CC)C1 ZINC000895556428 619849601 /nfs/dbraw/zinc/84/96/01/619849601.db2.gz ASAWJFPAZRHTRV-SNVBAGLBSA-N 1 1 253.777 3.024 20 30 CGEDMO C[C@@H]1[C@H](Nc2ccc(C#N)cc2C(F)(F)F)CC[N@H+]1C ZINC000895739572 619877839 /nfs/dbraw/zinc/87/78/39/619877839.db2.gz HCBQMHRMVASSSQ-BXKDBHETSA-N 1 1 283.297 3.082 20 30 CGEDMO C[N@@H+](CCc1ccc2c(c1)OCO2)CC(C)(C)CCC#N ZINC000895884192 619901024 /nfs/dbraw/zinc/90/10/24/619901024.db2.gz LOFSXSIDNYWXFY-UHFFFAOYSA-N 1 1 288.391 3.220 20 30 CGEDMO CC(C)c1[nH+]ccn1CCNc1cccc(F)c1C#N ZINC000895988839 619921665 /nfs/dbraw/zinc/92/16/65/619921665.db2.gz OJLPCKVMPCYUQI-UHFFFAOYSA-N 1 1 272.327 3.129 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000896227746 619969721 /nfs/dbraw/zinc/96/97/21/619969721.db2.gz NWZIOHDMAWPKOM-WDEREUQCSA-N 1 1 278.293 3.293 20 30 CGEDMO CCOc1ccc(C[NH2+]Cc2ccc(C)c(C#N)c2)o1 ZINC000896880261 620083562 /nfs/dbraw/zinc/08/35/62/620083562.db2.gz SFMMMBGSTHIPJZ-UHFFFAOYSA-N 1 1 270.332 3.148 20 30 CGEDMO C#Cc1ccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(Cl)c1 ZINC000897136215 620151026 /nfs/dbraw/zinc/15/10/26/620151026.db2.gz LSUWARAGRPSRCW-AGUYFDCRSA-N 1 1 274.795 3.358 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)C(C)(C)C(=C)Cl)CC1 ZINC000985452143 620191699 /nfs/dbraw/zinc/19/16/99/620191699.db2.gz MMBXPBSQZKFPSP-UHFFFAOYSA-N 1 1 298.858 3.264 20 30 CGEDMO CC1(C)CCc2cc(C[NH2+]CC3(C#N)CC3)ccc2O1 ZINC000797605835 620220417 /nfs/dbraw/zinc/22/04/17/620220417.db2.gz VNLASYSMRUVERO-UHFFFAOYSA-N 1 1 270.376 3.184 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC([N@@H+](C)CC3CCC3)CC2)C1 ZINC000985635866 620223760 /nfs/dbraw/zinc/22/37/60/620223760.db2.gz FYYLMDBAVJDODE-UHFFFAOYSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2C[C@]2(C)C(C)C)CC1 ZINC000985724043 620232018 /nfs/dbraw/zinc/23/20/18/620232018.db2.gz BQLTTXNINHJSIQ-SJLPKXTDSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)c2cc(C)c(C)s2)CC1 ZINC000985780663 620238657 /nfs/dbraw/zinc/23/86/57/620238657.db2.gz CAWJSITXJAWROU-UHFFFAOYSA-N 1 1 292.448 3.087 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)C[C@@H]2CCCC[C@H]2C)CC1 ZINC000985810608 620241395 /nfs/dbraw/zinc/24/13/95/620241395.db2.gz GZUBXBRHFRAHFK-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C[C@H](c1ccncc1)[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC000179138732 620348587 /nfs/dbraw/zinc/34/85/87/620348587.db2.gz BBIIHIFDYVPBBI-OAHLLOKOSA-N 1 1 295.386 3.415 20 30 CGEDMO O=C1C=COC2(CC[NH+](Cc3cc(Cl)cs3)CC2)C1 ZINC000897599093 620406903 /nfs/dbraw/zinc/40/69/03/620406903.db2.gz ALSRNCOWQRUZQM-UHFFFAOYSA-N 1 1 297.807 3.239 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@H]1C[C@]1(C)Br ZINC000897624496 620411518 /nfs/dbraw/zinc/41/15/18/620411518.db2.gz MAOZODLAKOJKKR-PWSUYJOCSA-N 1 1 299.237 3.225 20 30 CGEDMO CC[C@H](C)[C@@H](C[N@@H+](C)Cc1cc(C#N)cs1)OC ZINC000897624301 620411673 /nfs/dbraw/zinc/41/16/73/620411673.db2.gz HNZNYBCQOXYZQB-SMDDNHRTSA-N 1 1 266.410 3.113 20 30 CGEDMO COC1(C[N@@H+](C)Cc2cc(C#N)cs2)CCCCC1 ZINC000897625036 620412211 /nfs/dbraw/zinc/41/22/11/620412211.db2.gz AGYPVZCDRIDNBM-UHFFFAOYSA-N 1 1 278.421 3.401 20 30 CGEDMO CCCc1ccc(C[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000897631927 620414359 /nfs/dbraw/zinc/41/43/59/620414359.db2.gz CZYRXKWEBRVMCV-UHFFFAOYSA-N 1 1 271.389 3.257 20 30 CGEDMO CC1(C)Cc2cc(C[NH2+]Cc3nc(C#N)cs3)ccc2O1 ZINC000897631883 620414469 /nfs/dbraw/zinc/41/44/69/620414469.db2.gz CDSDPVIYVJLYTG-UHFFFAOYSA-N 1 1 299.399 3.018 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H](C)C2CCCC2)CC1 ZINC000989456553 620489650 /nfs/dbraw/zinc/48/96/50/620489650.db2.gz AJXOZLLLOZVTKU-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)CC3CCCC3)CCC[C@@H]12 ZINC000989921358 620531140 /nfs/dbraw/zinc/53/11/40/620531140.db2.gz HCAKQUPOHFMDGC-SJLPKXTDSA-N 1 1 290.451 3.256 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)C3CC=CC3)CCC[C@@H]12 ZINC000990078899 620535491 /nfs/dbraw/zinc/53/54/91/620535491.db2.gz BOPJNPFXUOJBTA-AEFFLSMTSA-N 1 1 288.435 3.032 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)C3CC=CC3)CCC[C@@H]12 ZINC000990078901 620535944 /nfs/dbraw/zinc/53/59/44/620535944.db2.gz BOPJNPFXUOJBTA-SJLPKXTDSA-N 1 1 288.435 3.032 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)OCCCCC(C)(C)C#N ZINC000923890520 620565247 /nfs/dbraw/zinc/56/52/47/620565247.db2.gz YGYXYABIIZTHJS-AWEZNQCLSA-N 1 1 280.412 3.122 20 30 CGEDMO C=CC(C)(C)[NH2+]Cc1csc(C(F)(F)F)n1 ZINC000898461375 620590375 /nfs/dbraw/zinc/59/03/75/620590375.db2.gz AWGOOGHMBOTVFF-UHFFFAOYSA-N 1 1 250.289 3.216 20 30 CGEDMO C[N@H+]1CCCC(N=Nc2ccc(Cl)cc2F)CC1 ZINC000901317184 620858705 /nfs/dbraw/zinc/85/87/05/620858705.db2.gz GPISMGAXMTZOOI-UHFFFAOYSA-N 1 1 269.751 3.363 20 30 CGEDMO CC[C@H](N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(C#N)c1 ZINC000902747944 621424666 /nfs/dbraw/zinc/42/46/66/621424666.db2.gz JHMTUXRVZYAIEE-BZSNNMDCSA-N 1 1 283.419 3.226 20 30 CGEDMO CC[C@H]([NH2+][C@H]1CCN2CCCC[C@@H]12)c1cccc(C#N)c1 ZINC000902747944 621424669 /nfs/dbraw/zinc/42/46/69/621424669.db2.gz JHMTUXRVZYAIEE-BZSNNMDCSA-N 1 1 283.419 3.226 20 30 CGEDMO CCOc1ccccc1C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902759609 621428559 /nfs/dbraw/zinc/42/85/59/621428559.db2.gz AJBSLBCQMZUPEJ-CYBMUJFWSA-N 1 1 281.359 3.203 20 30 CGEDMO CCC[N@@H+]1CC[C@@H](CN[C@@H](CC)c2cccc(C#N)c2)C1 ZINC000902761553 621429796 /nfs/dbraw/zinc/42/97/96/621429796.db2.gz SJGMDLVAMZDDRB-WMZOPIPTSA-N 1 1 285.435 3.331 20 30 CGEDMO CCC[N@H+]1CC[C@@H](CN[C@@H](CC)c2cccc(C#N)c2)C1 ZINC000902761553 621429802 /nfs/dbraw/zinc/42/98/02/621429802.db2.gz SJGMDLVAMZDDRB-WMZOPIPTSA-N 1 1 285.435 3.331 20 30 CGEDMO CC[C@H](N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc(C#N)c1 ZINC000903047551 621555205 /nfs/dbraw/zinc/55/52/05/621555205.db2.gz PQTVFYJLHNUMLW-IRXDYDNUSA-N 1 1 285.435 3.472 20 30 CGEDMO CC[C@H](N[C@H]1CC[N@H+](C(C)(C)C)C1)c1cccc(C#N)c1 ZINC000903047551 621555207 /nfs/dbraw/zinc/55/52/07/621555207.db2.gz PQTVFYJLHNUMLW-IRXDYDNUSA-N 1 1 285.435 3.472 20 30 CGEDMO CC(C)(C#N)C[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000903100042 621572960 /nfs/dbraw/zinc/57/29/60/621572960.db2.gz HIROWNNJMNHVIY-CYBMUJFWSA-N 1 1 262.328 3.179 20 30 CGEDMO C[C@@H]([NH2+]CC(C)(C)C#N)c1ccc(Br)nc1 ZINC000903101797 621574767 /nfs/dbraw/zinc/57/47/67/621574767.db2.gz MQELTHFBOCUSIZ-SECBINFHSA-N 1 1 282.185 3.044 20 30 CGEDMO COc1ccc([C@H]([NH2+]CC(C)(C)C#N)C2CC2)c(F)c1 ZINC000903101354 621574926 /nfs/dbraw/zinc/57/49/26/621574926.db2.gz FVPFFLWBDOTZKD-OAHLLOKOSA-N 1 1 276.355 3.425 20 30 CGEDMO COc1ncc([C@H](C)[NH2+]CC2(C#N)CCCC2)cc1Cl ZINC000903108953 621583051 /nfs/dbraw/zinc/58/30/51/621583051.db2.gz IVWLMCLSCLJJOB-NSHDSACASA-N 1 1 293.798 3.478 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1ccc(C#N)c(F)c1 ZINC000903109897 621583326 /nfs/dbraw/zinc/58/33/26/621583326.db2.gz WXKPZOOWIVUJHA-GFCCVEGCSA-N 1 1 271.339 3.432 20 30 CGEDMO N#CCc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000903192896 621620664 /nfs/dbraw/zinc/62/06/64/621620664.db2.gz RHICWZKVNOSGKH-JLYLLQBASA-N 1 1 295.430 3.000 20 30 CGEDMO N#CCc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903192896 621620667 /nfs/dbraw/zinc/62/06/67/621620667.db2.gz RHICWZKVNOSGKH-JLYLLQBASA-N 1 1 295.430 3.000 20 30 CGEDMO C[N@H+]1CC[C@H](Nc2ccc(CCC#N)cc2)[C@@H]2CCC[C@H]21 ZINC000903294959 621663889 /nfs/dbraw/zinc/66/38/89/621663889.db2.gz ZZHAZYIPJASPKV-OKZBNKHCSA-N 1 1 283.419 3.427 20 30 CGEDMO C[C@@H]([NH2+][C@@H](c1ncccn1)C1CC1)c1cccc(C#N)c1 ZINC000903327199 621701154 /nfs/dbraw/zinc/70/11/54/621701154.db2.gz QXDMATWCXSNKBT-MLGOLLRUSA-N 1 1 278.359 3.150 20 30 CGEDMO N#CC1(CCCC[N@@H+](CCN)CCc2ccccc2)CCC1 ZINC000903747052 621798915 /nfs/dbraw/zinc/79/89/15/621798915.db2.gz OOSCMXWTXOAFOT-UHFFFAOYSA-N 1 1 299.462 3.354 20 30 CGEDMO N#CC1(CCCC[N@H+](CCN)CCc2ccccc2)CCC1 ZINC000903747052 621798918 /nfs/dbraw/zinc/79/89/18/621798918.db2.gz OOSCMXWTXOAFOT-UHFFFAOYSA-N 1 1 299.462 3.354 20 30 CGEDMO CCCCCCCC[C@@H]([NH3+])c1nc(Cn2cccn2)no1 ZINC000904555931 621930266 /nfs/dbraw/zinc/93/02/66/621930266.db2.gz ABMCTVAKDNEQJJ-CYBMUJFWSA-N 1 1 291.399 3.065 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000157033599 622862132 /nfs/dbraw/zinc/86/21/32/622862132.db2.gz ZGRWCJXSKKPYMT-CYBMUJFWSA-N 1 1 263.768 3.064 20 30 CGEDMO C#CC[N@H+](CCCCCOC)[C@H]1CCc2ccccc21 ZINC000172012132 623206922 /nfs/dbraw/zinc/20/69/22/623206922.db2.gz LSPLPMZCVZDGDB-SFHVURJKSA-N 1 1 271.404 3.426 20 30 CGEDMO C#C[C@@H](CC)[NH2+]Cc1c(F)ccc(Br)c1F ZINC000230312780 623232846 /nfs/dbraw/zinc/23/28/46/623232846.db2.gz MSXKEFVIODQFNQ-QMMMGPOBSA-N 1 1 288.135 3.229 20 30 CGEDMO CCOC(=O)C[N@@H+](CCCCC1(C#N)CCC1)C(C)C ZINC000929463990 623419700 /nfs/dbraw/zinc/41/97/00/623419700.db2.gz KGCBOHVLBVFZFH-UHFFFAOYSA-N 1 1 280.412 3.124 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@H](C)C3CCCC3)CCC[C@@H]12 ZINC000992409779 623543411 /nfs/dbraw/zinc/54/34/11/623543411.db2.gz ULGNERYXQVMXAK-QGPMSJSTSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[C@H](C)CC3)CCC[C@H]12 ZINC000992423969 623554904 /nfs/dbraw/zinc/55/49/04/623554904.db2.gz ONBDKFYOSBPFIH-NBOOPKSLSA-N 1 1 290.451 3.112 20 30 CGEDMO N#CCC[N@H+](CC1CC1)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000929775037 623626471 /nfs/dbraw/zinc/62/64/71/623626471.db2.gz HMHBIWPIPDTXMR-OLZOCXBDSA-N 1 1 290.329 3.112 20 30 CGEDMO N#CCC[N@@H+](CC1CC1)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000929775037 623626474 /nfs/dbraw/zinc/62/64/74/623626474.db2.gz HMHBIWPIPDTXMR-OLZOCXBDSA-N 1 1 290.329 3.112 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccoc2Cl)[C@@H]1C ZINC000993251898 623993627 /nfs/dbraw/zinc/99/36/27/623993627.db2.gz ACIQEMHPPXOTEO-WCQYABFASA-N 1 1 296.798 3.092 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2coc(C)c2)[C@H]1C ZINC000993300774 624000493 /nfs/dbraw/zinc/00/04/93/624000493.db2.gz KUBYVVHTXWEQBY-ZBFHGGJFSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)=C2CCC2)[C@H]1C ZINC000993305418 624003857 /nfs/dbraw/zinc/00/38/57/624003857.db2.gz DPNNTPLKAZYVMF-GDBMZVCRSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C2CC(C)(C)C2)[C@@H]1C ZINC000993323625 624023266 /nfs/dbraw/zinc/02/32/66/624023266.db2.gz FYEJPNWNFVRTHT-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO FC(F)(F)CCN[NH+]=C1CC[C@@H]2CNc3cccc1c32 ZINC000814920718 624027059 /nfs/dbraw/zinc/02/70/59/624027059.db2.gz UONIGMXTDOHNQS-SECBINFHSA-N 1 1 283.297 3.236 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC)o2)[C@H]1C ZINC000993483418 624052454 /nfs/dbraw/zinc/05/24/54/624052454.db2.gz JEAWBLJSILWSSL-HIFRSBDPSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cscc2Cl)[C@H]1C ZINC000993468012 624052584 /nfs/dbraw/zinc/05/25/84/624052584.db2.gz URQQLPKMYLPJOD-MFKMUULPSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C2CC3(CCC3)C2)[C@H]1C ZINC000993714350 624058914 /nfs/dbraw/zinc/05/89/14/624058914.db2.gz ZKNXNLNZZCHAMG-GDBMZVCRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CC)[C@H]1C ZINC000993699721 624059110 /nfs/dbraw/zinc/05/91/10/624059110.db2.gz AEASWDZTKMPAFM-PBHICJAKSA-N 1 1 286.419 3.018 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](CC=C(C)C)[C@H]2C)C1 ZINC000993782598 624062755 /nfs/dbraw/zinc/06/27/55/624062755.db2.gz ADUZOJJRMLSKJT-HOTGVXAUSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C=C)cc2)[C@H]1C ZINC000993817764 624064066 /nfs/dbraw/zinc/06/40/66/624064066.db2.gz CMBAUNFNXQMSEU-QAPCUYQASA-N 1 1 298.430 3.488 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](CC3CCC3)[C@@H]2C)C1 ZINC000993786573 624064542 /nfs/dbraw/zinc/06/45/42/624064542.db2.gz GOZBBRONCDHLMV-GDBMZVCRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[C@H](CC)CC2)[C@H]1C ZINC000994247806 624122232 /nfs/dbraw/zinc/12/22/32/624122232.db2.gz GSXXXOHDSGEJOB-QBPKDAKJSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@H+](CCCOc1ccc(C#N)cc1)C(C)C ZINC000917069135 624233224 /nfs/dbraw/zinc/23/32/24/624233224.db2.gz JHGLFUVFNISINC-UHFFFAOYSA-N 1 1 258.365 3.224 20 30 CGEDMO CCCCCCC[C@@H](C)CNC(=O)N1CCC[N@@H+](C)CC1 ZINC000918137298 624337065 /nfs/dbraw/zinc/33/70/65/624337065.db2.gz YDKOECUEJIOOKW-MRXNPFEDSA-N 1 1 297.487 3.330 20 30 CGEDMO C=CCc1cc(OCC)cc(C[N@@H+](C)CC2CC2)c1O ZINC000919942690 624434491 /nfs/dbraw/zinc/43/44/91/624434491.db2.gz XKJQJYJCNAXBQX-UHFFFAOYSA-N 1 1 275.392 3.361 20 30 CGEDMO C=C(Br)C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000075831328 624657832 /nfs/dbraw/zinc/65/78/32/624657832.db2.gz LGPOCGBRTOWKBB-ZDUSSCGKSA-N 1 1 288.229 3.319 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)Cc2cccnc2)cc1 ZINC000183660132 625103758 /nfs/dbraw/zinc/10/37/58/625103758.db2.gz MGMZAZJSSGPUKS-CQSZACIVSA-N 1 1 281.359 3.004 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC2(C)C)CC1 ZINC000997976409 625779710 /nfs/dbraw/zinc/77/97/10/625779710.db2.gz MTYVRPYEUQLZIT-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@H]2CC)CC1 ZINC001001116421 625890734 /nfs/dbraw/zinc/89/07/34/625890734.db2.gz AGIPTSWIHNYBGW-IAGOWNOFSA-N 1 1 290.451 3.137 20 30 CGEDMO C[C@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1csc(C#N)c1 ZINC000922133116 625971522 /nfs/dbraw/zinc/97/15/22/625971522.db2.gz AYEYFEBBAJDNOW-MEBBXXQBSA-N 1 1 270.357 3.232 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)C[C@H]2CC[C@H](C)C2)CC1 ZINC001003456818 625980071 /nfs/dbraw/zinc/98/00/71/625980071.db2.gz APPIOOSHFVHUPD-JSGCOSHPSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C)C(C)C)CC1 ZINC001004570500 626065812 /nfs/dbraw/zinc/06/58/12/626065812.db2.gz TZBOZBHEGMHDNP-WBVHZDCISA-N 1 1 292.467 3.168 20 30 CGEDMO C#CCOc1ccc(C[NH+]2CC(CC(F)(F)F)C2)cc1 ZINC000839137931 626322527 /nfs/dbraw/zinc/32/25/27/626322527.db2.gz JPXJEHZDUZLJMS-UHFFFAOYSA-N 1 1 283.293 3.083 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2ncc(Cl)cc2Cl)C1 ZINC000886363943 626360127 /nfs/dbraw/zinc/36/01/27/626360127.db2.gz JQSQGEGZALMZBT-SNVBAGLBSA-N 1 1 269.175 3.234 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ncc(Cl)cc2Cl)C1 ZINC000886363943 626360130 /nfs/dbraw/zinc/36/01/30/626360130.db2.gz JQSQGEGZALMZBT-SNVBAGLBSA-N 1 1 269.175 3.234 20 30 CGEDMO C[C@H]1CCCCC1=[NH+]n1cc(Br)cn1 ZINC000752742580 626437273 /nfs/dbraw/zinc/43/72/73/626437273.db2.gz HUFVKOROPVORMY-QMMMGPOBSA-N 1 1 256.147 3.060 20 30 CGEDMO C[C@@H]1CC(N=Nc2ncc(Cl)cc2Cl)C[N@H+]1C1CC1 ZINC000753955580 626470139 /nfs/dbraw/zinc/47/01/39/626470139.db2.gz PUUQOAJYCSEIMP-MRVPVSSYSA-N 1 1 299.205 3.413 20 30 CGEDMO C[C@H]1CC(N=Nc2ncc(Cl)cc2Cl)C[N@H+]1C1CC1 ZINC000753955581 626470198 /nfs/dbraw/zinc/47/01/98/626470198.db2.gz PUUQOAJYCSEIMP-QMMMGPOBSA-N 1 1 299.205 3.413 20 30 CGEDMO Cc1ccc([N+](=O)[O-])cc1N=NC1C[N@@H+](C(C)C)C[C@H]1C ZINC000754259548 626565197 /nfs/dbraw/zinc/56/51/97/626565197.db2.gz OLUSBUOICJAYGX-GFCCVEGCSA-N 1 1 290.367 3.031 20 30 CGEDMO C=CCc1cc(C[N@H+]2C[C@@H](C)C[C@H]2C)c(O)c(OC)c1 ZINC000754740791 626585906 /nfs/dbraw/zinc/58/59/06/626585906.db2.gz HPBZJJWFVIMEOX-QWHCGFSZSA-N 1 1 275.392 3.360 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc(-n2ccnc2)cc1 ZINC000755671409 626636267 /nfs/dbraw/zinc/63/62/67/626636267.db2.gz XTZWNISQOQOJHW-UHFFFAOYSA-N 1 1 282.391 3.244 20 30 CGEDMO CC(C)c1[nH+]c(CN=Nc2ccc(F)cn2)c2ccccn21 ZINC000755706234 626637811 /nfs/dbraw/zinc/63/78/11/626637811.db2.gz NDHMBTSNTNVRJN-UHFFFAOYSA-N 1 1 297.337 3.438 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OC)c(F)c1)C1CCCC1 ZINC000756911685 626740760 /nfs/dbraw/zinc/74/07/60/626740760.db2.gz BMVOPRUWFPXMLJ-UHFFFAOYSA-N 1 1 261.340 3.212 20 30 CGEDMO C#CC[C@@H]([NH2+]Cc1ccc2nc[nH]c2c1)c1ccccc1 ZINC000756996229 626746161 /nfs/dbraw/zinc/74/61/61/626746161.db2.gz PCRNLPWSNMTEKW-MRXNPFEDSA-N 1 1 275.355 3.417 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000839595958 626764149 /nfs/dbraw/zinc/76/41/49/626764149.db2.gz PIOOKGJPKAZKLF-OUAUKWLOSA-N 1 1 261.196 3.194 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000839647071 626774453 /nfs/dbraw/zinc/77/44/53/626774453.db2.gz UCZMPRRIUSSDHL-RDJZCZTQSA-N 1 1 284.403 3.185 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000839669050 626777258 /nfs/dbraw/zinc/77/72/58/626777258.db2.gz BQUHJXGFLZYFLX-OAHLLOKOSA-N 1 1 279.424 3.234 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1ccc2ccccc2c1 ZINC000760819292 626993827 /nfs/dbraw/zinc/99/38/27/626993827.db2.gz IFJDVNCFPKXLBK-UHFFFAOYSA-N 1 1 267.372 3.312 20 30 CGEDMO C#CCC[NH+](Cc1cccc(C)n1)Cc1cccc(C)n1 ZINC000760859197 626997349 /nfs/dbraw/zinc/99/73/49/626997349.db2.gz DWCHPORCYRFVFT-UHFFFAOYSA-N 1 1 279.387 3.119 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)CC(C)(C)NC(=O)OC(C)(C)C ZINC000761184948 627022971 /nfs/dbraw/zinc/02/29/71/627022971.db2.gz QLHCGUYCEFCWJR-UHFFFAOYSA-N 1 1 297.443 3.161 20 30 CGEDMO C=CC[N@@H+](CC(C)(C)NC(=O)OC(C)(C)C)C(C)C ZINC000761191773 627023501 /nfs/dbraw/zinc/02/35/01/627023501.db2.gz BPIXYCLTSLMWIA-UHFFFAOYSA-N 1 1 270.417 3.186 20 30 CGEDMO Fc1ccc(C=NNc2cc[nH+]cc2)c(Cl)c1Cl ZINC000761835516 627064165 /nfs/dbraw/zinc/06/41/65/627064165.db2.gz ZSMGIRCXPZDLIA-UHFFFAOYSA-N 1 1 284.121 3.395 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1cccc(SC(=O)N(C)C)c1 ZINC000762795758 627124289 /nfs/dbraw/zinc/12/42/89/627124289.db2.gz XSXIBJKRKROZAS-CYBMUJFWSA-N 1 1 291.420 3.242 20 30 CGEDMO C#CC[N@H+](Cc1cc(Cl)cc2cccnc21)C1CC1 ZINC000763950115 627186469 /nfs/dbraw/zinc/18/64/69/627186469.db2.gz JYRNWSXAHYIWTQ-UHFFFAOYSA-N 1 1 270.763 3.486 20 30 CGEDMO C#CC[N@H+](Cc1ccc(F)c(C(F)(F)F)c1)C1CC1 ZINC000764683150 627218208 /nfs/dbraw/zinc/21/82/08/627218208.db2.gz PYRSRVMEHFVIJM-UHFFFAOYSA-N 1 1 271.257 3.442 20 30 CGEDMO CCCCCC[N@@H+](C)CC(=O)N1CCCC(C)(C)[C@H]1C#N ZINC000765778262 627270110 /nfs/dbraw/zinc/27/01/10/627270110.db2.gz YDBHPTCUHAAANR-OAHLLOKOSA-N 1 1 293.455 3.039 20 30 CGEDMO C=C(Br)C[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000125050357 634560179 /nfs/dbraw/zinc/56/01/79/634560179.db2.gz JZIWKMLMKIWTPH-VIFPVBQESA-N 1 1 288.160 3.394 20 30 CGEDMO C#CC[N@@H+](Cc1cccc2nsnc21)C1CCCCC1 ZINC000766029117 627288805 /nfs/dbraw/zinc/28/88/05/627288805.db2.gz ZSEPOMLIHPDRCR-UHFFFAOYSA-N 1 1 285.416 3.459 20 30 CGEDMO C#CCCC[N@H+](C)Cc1cc(Cl)ccc1OC ZINC000766897046 627368612 /nfs/dbraw/zinc/36/86/12/627368612.db2.gz WQDOXSVYLHPPBR-UHFFFAOYSA-N 1 1 251.757 3.194 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc(C)c1 ZINC000767913125 627443703 /nfs/dbraw/zinc/44/37/03/627443703.db2.gz REEGHQLJQRRBKR-IBGZPJMESA-N 1 1 279.383 3.164 20 30 CGEDMO CC#CCCCCOC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000768112496 627460299 /nfs/dbraw/zinc/46/02/99/627460299.db2.gz FJUIFXOXMDGQEL-GOSISDBHSA-N 1 1 299.414 3.388 20 30 CGEDMO CC#CCCCCOC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000768112496 627460303 /nfs/dbraw/zinc/46/03/03/627460303.db2.gz FJUIFXOXMDGQEL-GOSISDBHSA-N 1 1 299.414 3.388 20 30 CGEDMO C=CC[N@@H+](Cc1c[nH]nc1-c1ccccc1)C(C)C ZINC000768547077 627486327 /nfs/dbraw/zinc/48/63/27/627486327.db2.gz HUUQENZNNWLGMI-UHFFFAOYSA-N 1 1 255.365 3.473 20 30 CGEDMO Cc1cccc(F)c1N=NC1C[N@@H+](C(C)C)C[C@H]1C ZINC000769841526 627583436 /nfs/dbraw/zinc/58/34/36/627583436.db2.gz SUEOZRKIXGSVQU-GFCCVEGCSA-N 1 1 263.360 3.262 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)cc1 ZINC000770287085 627611945 /nfs/dbraw/zinc/61/19/45/627611945.db2.gz VMVPUFSVKPFXBC-IEBWSBKVSA-N 1 1 299.414 3.090 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@@H+](CC=C)C2CC2)c1O ZINC000771640812 627724626 /nfs/dbraw/zinc/72/46/26/627724626.db2.gz RWIYYACNYBQSEH-UHFFFAOYSA-N 1 1 273.376 3.280 20 30 CGEDMO C=CC[N@H+](Cc1cc(Cl)ccc1OCC#N)C1CC1 ZINC000772382318 627789030 /nfs/dbraw/zinc/78/90/30/627789030.db2.gz PQTPQOVQNLQLKS-UHFFFAOYSA-N 1 1 276.767 3.393 20 30 CGEDMO C=CC[N@H+](C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000772381911 627789053 /nfs/dbraw/zinc/78/90/53/627789053.db2.gz OHEHKJTZOGZDJV-AWEZNQCLSA-N 1 1 294.439 3.284 20 30 CGEDMO C#CC[N@H+](Cc1ccoc1)[C@H]1CCc2ccccc21 ZINC000772600741 627805481 /nfs/dbraw/zinc/80/54/81/627805481.db2.gz YFGVFRNOYCNJSZ-KRWDZBQOSA-N 1 1 251.329 3.402 20 30 CGEDMO C#CC[N@@H+](Cc1ccoc1)[C@H]1CCc2ccccc21 ZINC000772600741 627805482 /nfs/dbraw/zinc/80/54/82/627805482.db2.gz YFGVFRNOYCNJSZ-KRWDZBQOSA-N 1 1 251.329 3.402 20 30 CGEDMO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1cncs1 ZINC000773029509 627843982 /nfs/dbraw/zinc/84/39/82/627843982.db2.gz GJLJWEFMTYMOFE-SECBINFHSA-N 1 1 261.325 3.005 20 30 CGEDMO CCOCCON=C1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000774422833 627987626 /nfs/dbraw/zinc/98/76/26/627987626.db2.gz OTNANCYORIMCDH-HNNXBMFYSA-N 1 1 290.407 3.080 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccn2)CCC1=NOC1CCCC1 ZINC000774596238 628007782 /nfs/dbraw/zinc/00/77/82/628007782.db2.gz ABMMPHQGWNLWKC-AWEZNQCLSA-N 1 1 287.407 3.239 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1cc(C(F)(F)F)ccc1F ZINC000775179119 628069590 /nfs/dbraw/zinc/06/95/90/628069590.db2.gz KPUMXYIFDPOXII-SECBINFHSA-N 1 1 259.246 3.298 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(C(F)(F)F)ccc1F ZINC000775179119 628069593 /nfs/dbraw/zinc/06/95/93/628069593.db2.gz KPUMXYIFDPOXII-SECBINFHSA-N 1 1 259.246 3.298 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)CCCc1c(F)cccc1Cl ZINC000775179820 628069864 /nfs/dbraw/zinc/06/98/64/628069864.db2.gz SCBROZUBBIQMCM-NSHDSACASA-N 1 1 253.748 3.365 20 30 CGEDMO C#C[C@H]([NH2+]Cc1ccc(Oc2ccccc2)o1)[C@H]1CCCO1 ZINC000775339936 628083713 /nfs/dbraw/zinc/08/37/13/628083713.db2.gz DUHRSQHISCEHDU-DLBZAZTESA-N 1 1 297.354 3.342 20 30 CGEDMO C#C[C@H]([NH2+]Cc1ccc(-c2ccccc2)o1)[C@H]1CCCO1 ZINC000775342379 628084262 /nfs/dbraw/zinc/08/42/62/628084262.db2.gz QSCGJKFJHFOCEJ-FUHWJXTLSA-N 1 1 281.355 3.217 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)CCCCC1 ZINC000874826439 634627998 /nfs/dbraw/zinc/62/79/98/634627998.db2.gz OBSCJMGYFGNARJ-JKSUJKDBSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[C@@H]([NH2+]Cc1nc(C)cc(=O)[nH]1)c1ccccc1 ZINC000775463333 628097483 /nfs/dbraw/zinc/09/74/83/628097483.db2.gz KBASDPKPVSRRFO-OAHLLOKOSA-N 1 1 283.375 3.288 20 30 CGEDMO C#CC[N@@H+](CC)Cc1ccc(OCc2ccccc2F)nc1 ZINC000775609604 628113184 /nfs/dbraw/zinc/11/31/84/628113184.db2.gz RWWUMGBNNHTZAW-UHFFFAOYSA-N 1 1 298.361 3.255 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccc(OCc2ccccc2F)nc1 ZINC000775609604 628113186 /nfs/dbraw/zinc/11/31/86/628113186.db2.gz RWWUMGBNNHTZAW-UHFFFAOYSA-N 1 1 298.361 3.255 20 30 CGEDMO C#CC[N@H+](Cc1cn(C)nc1C(C)(C)C)C1CCCCC1 ZINC000775665050 628122179 /nfs/dbraw/zinc/12/21/79/628122179.db2.gz VNQCFLJANAYZSP-UHFFFAOYSA-N 1 1 287.451 3.486 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C1CC1 ZINC000775672612 628123186 /nfs/dbraw/zinc/12/31/86/628123186.db2.gz CGPMLVBIPNBSOY-UHFFFAOYSA-N 1 1 252.361 3.085 20 30 CGEDMO C#CC[N@H+](C)[C@@H](CC)Cc1ccccc1Br ZINC000775838758 628141025 /nfs/dbraw/zinc/14/10/25/628141025.db2.gz QVABIVCOFNQTFV-ZDUSSCGKSA-N 1 1 280.209 3.335 20 30 CGEDMO C#CCOc1ccccc1C[NH2+][C@H](CC)c1ccc(F)cn1 ZINC000779104815 628388658 /nfs/dbraw/zinc/38/86/58/628388658.db2.gz ORCXCQHRILMEDQ-MRXNPFEDSA-N 1 1 298.361 3.474 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(N(CC)CC)c(F)c1 ZINC000779188209 628393148 /nfs/dbraw/zinc/39/31/48/628393148.db2.gz HYCMCFLKELLUDP-UHFFFAOYSA-N 1 1 250.361 3.290 20 30 CGEDMO C=CC[N@H+](CN1CC[C@](C)(c2ccccc2)C1=O)C(C)C ZINC000780428448 628488144 /nfs/dbraw/zinc/48/81/44/628488144.db2.gz DOYSKFCAJSKNMX-GOSISDBHSA-N 1 1 286.419 3.031 20 30 CGEDMO C=CC[N@@H+](CN1CC[C@](C)(c2ccccc2)C1=O)C(C)C ZINC000780428448 628488146 /nfs/dbraw/zinc/48/81/46/628488146.db2.gz DOYSKFCAJSKNMX-GOSISDBHSA-N 1 1 286.419 3.031 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CCO[C@@H](CC)C1 ZINC000780758893 628515094 /nfs/dbraw/zinc/51/50/94/628515094.db2.gz ZJXVCKFUCQJFRO-AEFFLSMTSA-N 1 1 289.394 3.466 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@H]1CCO[C@H](CC)C1 ZINC000780758894 628515161 /nfs/dbraw/zinc/51/51/61/628515161.db2.gz ZJXVCKFUCQJFRO-FUHWJXTLSA-N 1 1 289.394 3.466 20 30 CGEDMO CCCNN=C1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000781122825 628538303 /nfs/dbraw/zinc/53/83/03/628538303.db2.gz NOTSEKNZTLFINJ-SJORKVTESA-N 1 1 285.435 3.274 20 30 CGEDMO C[C@H]1CCCC(=[NH+]n2cc(Br)cn2)[C@H]1C ZINC000781128391 628539394 /nfs/dbraw/zinc/53/93/94/628539394.db2.gz QYMZRSAWCZNBBD-IUCAKERBSA-N 1 1 270.174 3.306 20 30 CGEDMO C=C[C@@H](C)OC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000781577906 628574516 /nfs/dbraw/zinc/57/45/16/628574516.db2.gz CDEKLUHQZKYMOI-GDBMZVCRSA-N 1 1 273.376 3.159 20 30 CGEDMO C=C[C@@H](C)OC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000781577906 628574519 /nfs/dbraw/zinc/57/45/19/628574519.db2.gz CDEKLUHQZKYMOI-GDBMZVCRSA-N 1 1 273.376 3.159 20 30 CGEDMO CCCCCCCC[N@H+]1C[C@@H](C)O[C@H](COC)C1 ZINC000784367855 628810030 /nfs/dbraw/zinc/81/00/30/628810030.db2.gz CPJOEOBQMIFGCK-CABCVRRESA-N 1 1 257.418 3.083 20 30 CGEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+](C)C[C@@H]1CC=CCC1 ZINC000784393374 628812440 /nfs/dbraw/zinc/81/24/40/628812440.db2.gz QEMJMLLJAJRZHS-NVXWUHKLSA-N 1 1 298.386 3.060 20 30 CGEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000784393374 628812441 /nfs/dbraw/zinc/81/24/41/628812441.db2.gz QEMJMLLJAJRZHS-NVXWUHKLSA-N 1 1 298.386 3.060 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccc(C(F)(F)F)cc1C ZINC000785978356 628904852 /nfs/dbraw/zinc/90/48/52/628904852.db2.gz VEHPDSYKZPDPJN-UHFFFAOYSA-N 1 1 255.283 3.469 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000787997799 629038344 /nfs/dbraw/zinc/03/83/44/629038344.db2.gz RTFFTDJOBNUKQN-UHFFFAOYSA-N 1 1 283.371 3.253 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1cc(=O)oc2cc(CC)ccc12 ZINC000787999533 629039385 /nfs/dbraw/zinc/03/93/85/629039385.db2.gz OZKMLNLJYHXWFA-UHFFFAOYSA-N 1 1 283.371 3.199 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@@H]1C(=O)OCc1ccccc1 ZINC000791648217 629294687 /nfs/dbraw/zinc/29/46/87/629294687.db2.gz RLPBVZSTZOCYGW-MRXNPFEDSA-N 1 1 273.376 3.160 20 30 CGEDMO C#CC[C@H]([NH2+]Cc1cnc(C2CC2)o1)c1ccccc1 ZINC000862290692 629339667 /nfs/dbraw/zinc/33/96/67/629339667.db2.gz CTVYAEBCPZDYKX-INIZCTEOSA-N 1 1 266.344 3.406 20 30 CGEDMO CCCCCCCCC[N@H+]1CCOC[C@H]1C[C@H](C)O ZINC000792292257 629354895 /nfs/dbraw/zinc/35/48/95/629354895.db2.gz VVYGJSQKWJTAIZ-JKSUJKDBSA-N 1 1 271.445 3.209 20 30 CGEDMO CCCCCCCCC[N@@H+]1CCn2cnnc2[C@@H]1C ZINC000792374246 629358500 /nfs/dbraw/zinc/35/85/00/629358500.db2.gz BSEMLEVTFFMARX-AWEZNQCLSA-N 1 1 264.417 3.405 20 30 CGEDMO CCCCCCCCC[N@H+]1CCn2cnnc2[C@@H]1C ZINC000792374246 629358503 /nfs/dbraw/zinc/35/85/03/629358503.db2.gz BSEMLEVTFFMARX-AWEZNQCLSA-N 1 1 264.417 3.405 20 30 CGEDMO CCCCCCCC[NH+]1C[C@H](C)S(=O)[C@@H](C)C1 ZINC000792387160 629358541 /nfs/dbraw/zinc/35/85/41/629358541.db2.gz CFFUXUZHCLWVCB-KBPBESRZSA-N 1 1 259.459 3.188 20 30 CGEDMO CCCCCCCNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000875764911 634730509 /nfs/dbraw/zinc/73/05/09/634730509.db2.gz VMSLSXHIRIPZJG-HZPDHXFCSA-N 1 1 295.471 3.083 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000862445176 629377682 /nfs/dbraw/zinc/37/76/82/629377682.db2.gz NMOGEJWOBTUYNY-LLVKDONJSA-N 1 1 278.739 3.093 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000862445040 629378165 /nfs/dbraw/zinc/37/81/65/629378165.db2.gz KMOXCUPPABVLTN-GFCCVEGCSA-N 1 1 263.768 3.199 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000862445647 629380051 /nfs/dbraw/zinc/38/00/51/629380051.db2.gz YSWUNZMXFQSPRI-MRXNPFEDSA-N 1 1 282.387 3.214 20 30 CGEDMO C[C@@H]1C[C@H](C)[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000793227338 629431687 /nfs/dbraw/zinc/43/16/87/629431687.db2.gz BKKYBZVTBCFOCB-OKILXGFUSA-N 1 1 257.381 3.019 20 30 CGEDMO CCCCCCCC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000862791705 629436003 /nfs/dbraw/zinc/43/60/03/629436003.db2.gz GOOCTDYPDOAKAI-HNNXBMFYSA-N 1 1 268.445 3.195 20 30 CGEDMO CCC(CC)N[NH+]=Cc1cc(F)c(N(C)C)cc1F ZINC000863094734 629470348 /nfs/dbraw/zinc/47/03/48/629470348.db2.gz QEQKCDJCFXTAEC-UHFFFAOYSA-N 1 1 269.339 3.143 20 30 CGEDMO N#CC1(C[NH2+]C[C@@H](O)c2c(F)cccc2F)CCCCC1 ZINC000863572606 629607813 /nfs/dbraw/zinc/60/78/13/629607813.db2.gz CYVBFPSVGCCSRJ-CQSZACIVSA-N 1 1 294.345 3.062 20 30 CGEDMO CC1(C)CC[C@@H](CO)[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000864053532 629749751 /nfs/dbraw/zinc/74/97/51/629749751.db2.gz LOXCZMHWDDWTFL-KRWDZBQOSA-N 1 1 298.430 3.225 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@](C)(c2ccccc2)CC1 ZINC000796199719 629752332 /nfs/dbraw/zinc/75/23/32/629752332.db2.gz SKVQZCVGSLOZQG-WMZOPIPTSA-N 1 1 286.419 3.359 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@](C(=O)OC)(C(F)(F)F)C1 ZINC000796297329 629762227 /nfs/dbraw/zinc/76/22/27/629762227.db2.gz ZMJIDYLUCVVXTK-WCQYABFASA-N 1 1 293.329 3.159 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)Cc1ccc(C)nc1C ZINC000796630974 629807615 /nfs/dbraw/zinc/80/76/15/629807615.db2.gz BTGJNMPWHPRUSW-UHFFFAOYSA-N 1 1 264.372 3.334 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(C)nc1C ZINC000796630974 629807616 /nfs/dbraw/zinc/80/76/16/629807616.db2.gz BTGJNMPWHPRUSW-UHFFFAOYSA-N 1 1 264.372 3.334 20 30 CGEDMO CC1=C[C@@H](C)C[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000797605474 629969977 /nfs/dbraw/zinc/96/99/77/629969977.db2.gz ROANFYPKJUZANT-OAHLLOKOSA-N 1 1 283.419 3.434 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CC(C)=C[C@H](C)C1 ZINC000797605361 629970197 /nfs/dbraw/zinc/97/01/97/629970197.db2.gz PXIFTFIJAVTEEH-AWEZNQCLSA-N 1 1 255.361 3.097 20 30 CGEDMO CC1=CCC[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000798089940 630022144 /nfs/dbraw/zinc/02/21/44/630022144.db2.gz BEDGWANLPJXPAF-CQSZACIVSA-N 1 1 256.349 3.129 20 30 CGEDMO C=CC[N@H+](C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000798951868 630128544 /nfs/dbraw/zinc/12/85/44/630128544.db2.gz MWRBQCGNBPUNJR-KRWDZBQOSA-N 1 1 294.439 3.284 20 30 CGEDMO C=CC[C@@H]([NH2+]Cc1cn(C2CC2)cn1)c1ccncc1 ZINC000865465346 630135011 /nfs/dbraw/zinc/13/50/11/630135011.db2.gz XTMXEJRTWKRIDQ-MRXNPFEDSA-N 1 1 268.364 3.020 20 30 CGEDMO COc1cc(CNc2ccc3c(c2)[nH+]cn3C)ccc1C#N ZINC000799338899 630169792 /nfs/dbraw/zinc/16/97/92/630169792.db2.gz CGYHGKVSXDQYNJ-UHFFFAOYSA-N 1 1 292.342 3.066 20 30 CGEDMO CCc1cccc(C)c1N[NH2+]C1=CC(=O)N2CCCC[C@@H]12 ZINC000799493694 630190670 /nfs/dbraw/zinc/19/06/70/630190670.db2.gz LZTRDEXECFATRS-HNNXBMFYSA-N 1 1 285.391 3.110 20 30 CGEDMO C=CC[C@H]([NH2+][C@H](C)c1cc(C)n(C)n1)c1ccncc1 ZINC000800478736 630284314 /nfs/dbraw/zinc/28/43/14/630284314.db2.gz QNHQHIVLMDJBJN-HIFRSBDPSA-N 1 1 270.380 3.092 20 30 CGEDMO CCCC[N@@H+](CCO[C@H](C)C#N)Cc1ccccc1F ZINC000801916389 630366044 /nfs/dbraw/zinc/36/60/44/630366044.db2.gz WYMLATWRJYAQKC-CQSZACIVSA-N 1 1 278.371 3.356 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1C[C@H](C)C[C@H]1c1ccccc1F ZINC000801924004 630367647 /nfs/dbraw/zinc/36/76/47/630367647.db2.gz PTPBPRCFLACWHO-IOASZLSFSA-N 1 1 276.355 3.137 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000801923198 630367968 /nfs/dbraw/zinc/36/79/68/630367968.db2.gz BBWJUCHFTPGKJA-DVOMOZLQSA-N 1 1 276.355 3.137 20 30 CGEDMO Cc1cc(C)cc([C@@H]2CC[N@H+](CCO[C@H](C)C#N)C2)c1 ZINC000801939854 630371085 /nfs/dbraw/zinc/37/10/85/630371085.db2.gz WIMZNGRLTIEXSR-HZPDHXFCSA-N 1 1 272.392 3.021 20 30 CGEDMO CC[C@H](C[N@@H+](CC)CCO[C@@H](C)C#N)c1ccccc1 ZINC000801943199 630372147 /nfs/dbraw/zinc/37/21/47/630372147.db2.gz NCDSTJQCQWKAQX-JKSUJKDBSA-N 1 1 274.408 3.431 20 30 CGEDMO CCCCCCCCC(=O)N1CC[N@@H+](CC)C[C@@H]1C ZINC000804378948 630524100 /nfs/dbraw/zinc/52/41/00/630524100.db2.gz FAKXABYUCJPXTF-HNNXBMFYSA-N 1 1 268.445 3.290 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@H+]2CCC[C@@](C)(F)C2)c1O ZINC000840100563 630592492 /nfs/dbraw/zinc/59/24/92/630592492.db2.gz NBNMTRPHWMZUGT-QGZVFWFLSA-N 1 1 293.382 3.453 20 30 CGEDMO COc1cncc(C[NH2+][C@@H](CCC#N)c2ccccc2)c1 ZINC000808744058 630674382 /nfs/dbraw/zinc/67/43/82/630674382.db2.gz FQWMHGKWQVFXIY-KRWDZBQOSA-N 1 1 281.359 3.225 20 30 CGEDMO C=C(C)C[N@@H+](CCC(=O)C(C)C)Cc1cnn(C(C)C)c1 ZINC000808759316 630675018 /nfs/dbraw/zinc/67/50/18/630675018.db2.gz NYHJWDGIUYJYNO-UHFFFAOYSA-N 1 1 291.439 3.457 20 30 CGEDMO C=C(C)C[N@H+](CCC(=O)C(C)C)Cc1cnn(C(C)C)c1 ZINC000808759316 630675022 /nfs/dbraw/zinc/67/50/22/630675022.db2.gz NYHJWDGIUYJYNO-UHFFFAOYSA-N 1 1 291.439 3.457 20 30 CGEDMO N#Cc1ccc(OCCC[N@H+]2CCC[C@@H](C3CC3)C2)cc1 ZINC000808778205 630677542 /nfs/dbraw/zinc/67/75/42/630677542.db2.gz PBGIFZIAKRWDRR-QGZVFWFLSA-N 1 1 284.403 3.449 20 30 CGEDMO C#Cc1ccc(C[NH2+]CCCN(C)Cc2ccccc2)cc1 ZINC000809603660 630759512 /nfs/dbraw/zinc/75/95/12/630759512.db2.gz SUKBVBQZEWXLOF-UHFFFAOYSA-N 1 1 292.426 3.280 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCc3cc(OC)c(F)cc3C2)cc1 ZINC000809632471 630769056 /nfs/dbraw/zinc/76/90/56/630769056.db2.gz QTPRGXFGIZVYPN-UHFFFAOYSA-N 1 1 295.357 3.374 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCc3cc(OC)c(F)cc3C2)cc1 ZINC000809632471 630769057 /nfs/dbraw/zinc/76/90/57/630769057.db2.gz QTPRGXFGIZVYPN-UHFFFAOYSA-N 1 1 295.357 3.374 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC[C@H]2C2CCOCC2)cc1 ZINC000809632700 630769307 /nfs/dbraw/zinc/76/93/07/630769307.db2.gz WNSHAYBBAWJGCB-SFHVURJKSA-N 1 1 269.388 3.059 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)cc1 ZINC000809749324 630799031 /nfs/dbraw/zinc/79/90/31/630799031.db2.gz MKGZPIGKHKAXOP-QGZVFWFLSA-N 1 1 299.414 3.222 20 30 CGEDMO C=CCCCCC[N@H+](C)CN1C(=O)C(C)(C)[C@@H]1C1CC1 ZINC000811747996 631117498 /nfs/dbraw/zinc/11/74/98/631117498.db2.gz IQKGIUIOEBXHIO-HNNXBMFYSA-N 1 1 278.440 3.269 20 30 CGEDMO CCC[N@@H+](CC)C[C@H](C)Nc1nc(Cl)c(C#N)s1 ZINC000811869378 631128573 /nfs/dbraw/zinc/12/85/73/631128573.db2.gz MGILVJAOOYVWCF-VIFPVBQESA-N 1 1 286.832 3.200 20 30 CGEDMO C#C[C@H]([NH2+]Cc1cc(F)ccc1O)c1ccc(F)cc1 ZINC000812792803 631310682 /nfs/dbraw/zinc/31/06/82/631310682.db2.gz HXISUHPBCXURKS-HNNXBMFYSA-N 1 1 273.282 3.135 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC000812793016 631311924 /nfs/dbraw/zinc/31/19/24/631311924.db2.gz LTPKPWSZTVYWRJ-GOSISDBHSA-N 1 1 282.362 3.356 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CC[C@H]1CC ZINC000814179335 631539466 /nfs/dbraw/zinc/53/94/66/631539466.db2.gz RKJADCAWCYPLHF-GFCCVEGCSA-N 1 1 263.768 3.336 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CC[C@H]1CC ZINC000814179335 631539475 /nfs/dbraw/zinc/53/94/75/631539475.db2.gz RKJADCAWCYPLHF-GFCCVEGCSA-N 1 1 263.768 3.336 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000814666458 631619207 /nfs/dbraw/zinc/61/92/07/631619207.db2.gz HCTNBOSZXAUGPQ-GXTWGEPZSA-N 1 1 278.783 3.058 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnc(-c2ccccc2O)o1 ZINC000878991522 635673983 /nfs/dbraw/zinc/67/39/83/635673983.db2.gz KKUIEQFVYHREMN-BETUJISGSA-N 1 1 297.358 3.125 20 30 CGEDMO COc1ccc2c(c1)C(=NNc1cc[nH+]cc1)CCCS2 ZINC000814899820 631670561 /nfs/dbraw/zinc/67/05/61/631670561.db2.gz PRBOYHMNIIEEDU-UHFFFAOYSA-N 1 1 299.399 3.214 20 30 CGEDMO C[C@H](C#N)C[N@H+](C[C@H](O)c1cccc2ccccc21)C1CC1 ZINC000815076740 631712421 /nfs/dbraw/zinc/71/24/21/631712421.db2.gz WPAQBMCQDNNAFO-KUHUBIRLSA-N 1 1 294.398 3.497 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C[C@H](O)c1cccc2ccccc21)C1CC1 ZINC000815076740 631712427 /nfs/dbraw/zinc/71/24/27/631712427.db2.gz WPAQBMCQDNNAFO-KUHUBIRLSA-N 1 1 294.398 3.497 20 30 CGEDMO N#Cc1ccc2ncc(CNc3cccc(C4CC4)[nH+]3)n2c1 ZINC000815144452 631729289 /nfs/dbraw/zinc/72/92/89/631729289.db2.gz ZSLPUXAYUGLNEM-UHFFFAOYSA-N 1 1 289.342 3.090 20 30 CGEDMO CC#CC[N@H+](C)Cc1cnc(-c2ccccc2)s1 ZINC000815283567 631753683 /nfs/dbraw/zinc/75/36/83/631753683.db2.gz ZHGLDHWVTDQICP-UHFFFAOYSA-N 1 1 256.374 3.265 20 30 CGEDMO CC#CC[N@@H+](C)Cc1cnc(-c2ccccc2)s1 ZINC000815283567 631753688 /nfs/dbraw/zinc/75/36/88/631753688.db2.gz ZHGLDHWVTDQICP-UHFFFAOYSA-N 1 1 256.374 3.265 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000816667480 632041572 /nfs/dbraw/zinc/04/15/72/632041572.db2.gz ODPOAKWYUUEZES-GOSISDBHSA-N 1 1 299.414 3.090 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000816667480 632041578 /nfs/dbraw/zinc/04/15/78/632041578.db2.gz ODPOAKWYUUEZES-GOSISDBHSA-N 1 1 299.414 3.090 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CC[C@@H](c2ccccc2)C1(C)C ZINC000817297673 632117724 /nfs/dbraw/zinc/11/77/24/632117724.db2.gz UKKJJOGRUKTEBA-HOCLYGCPSA-N 1 1 272.392 3.183 20 30 CGEDMO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(Cl)cc1O ZINC000818355410 632312948 /nfs/dbraw/zinc/31/29/48/632312948.db2.gz FLGQSJVWKHBLIG-JBLDHEPKSA-N 1 1 264.756 3.388 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1F)C[C@@](C)(O)c1ccccc1 ZINC000822516994 632953561 /nfs/dbraw/zinc/95/35/61/632953561.db2.gz SMHDQENYZLQZQD-GOSISDBHSA-N 1 1 298.361 3.037 20 30 CGEDMO C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1cccc(C#N)c1O ZINC000866214728 633032155 /nfs/dbraw/zinc/03/21/55/633032155.db2.gz QURLRVDBWIXBJD-NEPJUHHUSA-N 1 1 267.332 3.071 20 30 CGEDMO COC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccccc1 ZINC000866295920 633068954 /nfs/dbraw/zinc/06/89/54/633068954.db2.gz DYZMXEURUDAWDF-GUYCJALGSA-N 1 1 296.370 3.302 20 30 CGEDMO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccc[nH]1 ZINC000866313163 633078315 /nfs/dbraw/zinc/07/83/15/633078315.db2.gz XGJRIPMKYFUUOY-QWRGUYRKSA-N 1 1 255.321 3.004 20 30 CGEDMO C[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)c1cccc(C#N)c1O ZINC000866334784 633084084 /nfs/dbraw/zinc/08/40/84/633084084.db2.gz BZKRZMIBBUXYKN-WDEREUQCSA-N 1 1 285.322 3.210 20 30 CGEDMO COc1cnccc1[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866344972 633091311 /nfs/dbraw/zinc/09/13/11/633091311.db2.gz DINKFAYMXNYAJI-RYUDHWBXSA-N 1 1 297.358 3.079 20 30 CGEDMO Cc1cc(C)c(C[NH2+][C@H](C)c2cccc(C#N)c2O)cn1 ZINC000866370413 633107315 /nfs/dbraw/zinc/10/73/15/633107315.db2.gz WBKHUZLDNOQTAN-CYBMUJFWSA-N 1 1 281.359 3.127 20 30 CGEDMO Cc1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2O)o1 ZINC000866477630 633150794 /nfs/dbraw/zinc/15/07/94/633150794.db2.gz CFELIKDUICLNLQ-LLVKDONJSA-N 1 1 256.305 3.016 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@](C)(F)C2)cc1 ZINC000824471725 633249198 /nfs/dbraw/zinc/24/91/98/633249198.db2.gz GSUZVMRUHLFNIR-CZUORRHYSA-N 1 1 276.355 3.301 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc3ccc(C)cc3[nH]2)C1 ZINC000826534866 633411404 /nfs/dbraw/zinc/41/14/04/633411404.db2.gz LBNOVDSIAIUIPO-AWEZNQCLSA-N 1 1 252.361 3.322 20 30 CGEDMO C#CC[C@@H]1CCCN(c2cc[nH+]cc2Br)C1 ZINC000826586125 633418882 /nfs/dbraw/zinc/41/88/82/633418882.db2.gz YCMIMJBLZVMRGH-LLVKDONJSA-N 1 1 279.181 3.084 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC000826654250 633423611 /nfs/dbraw/zinc/42/36/11/633423611.db2.gz NCZPEVHIUJBPCN-INIZCTEOSA-N 1 1 290.451 3.256 20 30 CGEDMO C#CC[N@H+](CCC[C@@H]1CCOC1)Cc1ccc(F)cc1 ZINC000827815145 633521318 /nfs/dbraw/zinc/52/13/18/633521318.db2.gz ONPKWOLGGXEWBK-MRXNPFEDSA-N 1 1 275.367 3.078 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)C[C@H](O)[C@@H](C)c1ccccc1 ZINC000827872596 633528621 /nfs/dbraw/zinc/52/86/21/633528621.db2.gz DOGSKEIZWCHQJB-RDJZCZTQSA-N 1 1 274.408 3.023 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000828145389 633572865 /nfs/dbraw/zinc/57/28/65/633572865.db2.gz FLLMJKRTINSVBZ-HNNXBMFYSA-N 1 1 287.407 3.088 20 30 CGEDMO COc1ccc([C@@H](C)[NH2+]CC2(C#N)CCC2)c(OC)c1 ZINC000828638302 633638315 /nfs/dbraw/zinc/63/83/15/633638315.db2.gz HWOGBKDLVWSZDM-GFCCVEGCSA-N 1 1 274.364 3.048 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](CC(=O)c2cc(C)n(CC)c2C)C1 ZINC000829774793 633781313 /nfs/dbraw/zinc/78/13/13/633781313.db2.gz UFCNADAKIQJSSE-MRXNPFEDSA-N 1 1 286.419 3.043 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000829784929 633784234 /nfs/dbraw/zinc/78/42/34/633784234.db2.gz OCJZHUJNLHGECI-XJKSGUPXSA-N 1 1 277.795 3.109 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC000829788547 633784317 /nfs/dbraw/zinc/78/43/17/633784317.db2.gz AFBOHDQWEBUFCQ-JTQLQIEISA-N 1 1 254.786 3.032 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC000829788547 633784320 /nfs/dbraw/zinc/78/43/20/633784320.db2.gz AFBOHDQWEBUFCQ-JTQLQIEISA-N 1 1 254.786 3.032 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](C[C@]2(C)CC2(Cl)Cl)C1 ZINC000829815205 633795715 /nfs/dbraw/zinc/79/57/15/633795715.db2.gz HDDDJJIXXPATLM-RYUDHWBXSA-N 1 1 260.208 3.306 20 30 CGEDMO Cc1cccc(C#N)c1SCCCc1c[nH+]cn1C ZINC000871690678 633825948 /nfs/dbraw/zinc/82/59/48/633825948.db2.gz BKQBZRTZVDCZQV-UHFFFAOYSA-N 1 1 271.389 3.325 20 30 CGEDMO C[C@@H]1[C@H](C)[N@H+](CCCC#N)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000830182964 633836985 /nfs/dbraw/zinc/83/69/85/633836985.db2.gz MXPHACGKTARCHQ-MELADBBJSA-N 1 1 295.427 3.008 20 30 CGEDMO C[C@@H]1[C@H](C)[N@@H+](CCCC#N)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000830182964 633836986 /nfs/dbraw/zinc/83/69/86/633836986.db2.gz MXPHACGKTARCHQ-MELADBBJSA-N 1 1 295.427 3.008 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000832059684 634025619 /nfs/dbraw/zinc/02/56/19/634025619.db2.gz QDAODZVSGZSISK-CVEARBPZSA-N 1 1 279.424 3.350 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000832278119 634041244 /nfs/dbraw/zinc/04/12/44/634041244.db2.gz PZMCMULVGBQZCU-CJNGLKHVSA-N 1 1 298.390 3.019 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000832278119 634041247 /nfs/dbraw/zinc/04/12/47/634041247.db2.gz PZMCMULVGBQZCU-CJNGLKHVSA-N 1 1 298.390 3.019 20 30 CGEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2ccc(C)c(OC)c2)no1 ZINC000872174818 634079450 /nfs/dbraw/zinc/07/94/50/634079450.db2.gz DIHHELWEFIXXHC-NSHDSACASA-N 1 1 293.754 3.196 20 30 CGEDMO Cc1cc2ncn(C[N@@H+](C)[C@H]3CCC[C@@H]3C#N)c2cc1C ZINC000872681335 634185601 /nfs/dbraw/zinc/18/56/01/634185601.db2.gz HCUDGOIUQOSUOM-ZBFHGGJFSA-N 1 1 282.391 3.235 20 30 CGEDMO Cc1cc2ncn(C[N@H+](C)[C@H]3CCC[C@@H]3C#N)c2cc1C ZINC000872681335 634185610 /nfs/dbraw/zinc/18/56/10/634185610.db2.gz HCUDGOIUQOSUOM-ZBFHGGJFSA-N 1 1 282.391 3.235 20 30 CGEDMO CCCCCCCCC(=O)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000834599627 634196141 /nfs/dbraw/zinc/19/61/41/634196141.db2.gz MUDCDQXHYAINBF-HZPDHXFCSA-N 1 1 298.446 3.382 20 30 CGEDMO C#CCOc1ccc([C@@H](C)[NH2+][C@H](C)c2nccn2CC)cc1 ZINC000834896724 634273367 /nfs/dbraw/zinc/27/33/67/634273367.db2.gz WWZAHEPZXZGBCE-HUUCEWRRSA-N 1 1 297.402 3.327 20 30 CGEDMO C[C@H](N[NH+]=C1CCCNc2ccccc21)C(F)(F)F ZINC000834997544 634306039 /nfs/dbraw/zinc/30/60/39/634306039.db2.gz DUJSZAALFKMRFU-VIFPVBQESA-N 1 1 271.286 3.137 20 30 CGEDMO CCC[N@H+](Cc1cc(C#N)cnc1Cl)CC(C)C ZINC000876592391 634864149 /nfs/dbraw/zinc/86/41/49/634864149.db2.gz IUBNLJBYQVIHHC-UHFFFAOYSA-N 1 1 265.788 3.475 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)cnc1Cl)C1Cc2ccccc2C1 ZINC000876634686 634872003 /nfs/dbraw/zinc/87/20/03/634872003.db2.gz YPZFMXVPYCMJMG-UHFFFAOYSA-N 1 1 297.789 3.206 20 30 CGEDMO CC1(C)CC[NH+](Cc2cc(C#N)cnc2Cl)CC1 ZINC000876682346 634880692 /nfs/dbraw/zinc/88/06/92/634880692.db2.gz IMMUOJCVTJYAOU-UHFFFAOYSA-N 1 1 263.772 3.229 20 30 CGEDMO C#CCCCCCC[N@H+](C)C1CCC(OC)CC1 ZINC000876736003 634887702 /nfs/dbraw/zinc/88/77/02/634887702.db2.gz DDEKXMPBBMWDKQ-UHFFFAOYSA-N 1 1 251.414 3.460 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876750236 634892976 /nfs/dbraw/zinc/89/29/76/634892976.db2.gz OXBQZPHQMLHTGW-MNOVXSKESA-N 1 1 263.772 3.227 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876750236 634892978 /nfs/dbraw/zinc/89/29/78/634892978.db2.gz OXBQZPHQMLHTGW-MNOVXSKESA-N 1 1 263.772 3.227 20 30 CGEDMO CC[C@]1(C)CC[N@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876781404 634897924 /nfs/dbraw/zinc/89/79/24/634897924.db2.gz KRONYPKPYOUGMG-CQSZACIVSA-N 1 1 263.772 3.229 20 30 CGEDMO CC[C@]1(C)CC[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876781404 634897927 /nfs/dbraw/zinc/89/79/27/634897927.db2.gz KRONYPKPYOUGMG-CQSZACIVSA-N 1 1 263.772 3.229 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@@H]1COC(=O)c1cc(C#N)cs1 ZINC000837565724 634936379 /nfs/dbraw/zinc/93/63/79/634936379.db2.gz IRMCFCWABZVMIB-CYBMUJFWSA-N 1 1 292.404 3.039 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCSC[C@H]1c1cnn(C)c1 ZINC000877472898 635049780 /nfs/dbraw/zinc/04/97/80/635049780.db2.gz GANVJHKFCVAQLC-INIZCTEOSA-N 1 1 291.464 3.094 20 30 CGEDMO Cc1cc(N(C)C)ccc1C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000840920121 635083002 /nfs/dbraw/zinc/08/30/02/635083002.db2.gz CBKXAPWPSBLCQL-ZDUSSCGKSA-N 1 1 271.408 3.185 20 30 CGEDMO Cc1cc(N(C)C)ccc1C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000840920121 635083004 /nfs/dbraw/zinc/08/30/04/635083004.db2.gz CBKXAPWPSBLCQL-ZDUSSCGKSA-N 1 1 271.408 3.185 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877624796 635119532 /nfs/dbraw/zinc/11/95/32/635119532.db2.gz RYMPQJLJOHUFAM-LBPRGKRZSA-N 1 1 275.783 3.395 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877624796 635119537 /nfs/dbraw/zinc/11/95/37/635119537.db2.gz RYMPQJLJOHUFAM-LBPRGKRZSA-N 1 1 275.783 3.395 20 30 CGEDMO CCc1cnc(C[N@H+](C)CCc2cccc(C#N)c2)s1 ZINC000877704172 635155887 /nfs/dbraw/zinc/15/58/87/635155887.db2.gz JWSPPODKOIPZCK-UHFFFAOYSA-N 1 1 285.416 3.252 20 30 CGEDMO CCc1cnc(C[N@@H+](C)CCc2cccc(C#N)c2)s1 ZINC000877704172 635155894 /nfs/dbraw/zinc/15/58/94/635155894.db2.gz JWSPPODKOIPZCK-UHFFFAOYSA-N 1 1 285.416 3.252 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1ccncc1Cl ZINC000877705038 635157620 /nfs/dbraw/zinc/15/76/20/635157620.db2.gz QHPJOVWBGYCKBO-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO Cc1cc(C[N@H+]2CC[C@H]3CSC[C@@H]3C2)ccc1C#N ZINC000877740134 635175308 /nfs/dbraw/zinc/17/53/08/635175308.db2.gz VEXKPFFOOSQFPU-HOTGVXAUSA-N 1 1 272.417 3.052 20 30 CGEDMO COCCON=C1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000841627910 635201599 /nfs/dbraw/zinc/20/15/99/635201599.db2.gz GGQWKJZNPCATTP-QGZVFWFLSA-N 1 1 288.391 3.005 20 30 CGEDMO Cc1cc(C[N@@H+]2CCO[C@@H](C(F)(F)F)CC2)ccc1C#N ZINC000877820496 635224798 /nfs/dbraw/zinc/22/47/98/635224798.db2.gz QQNASWHCGMAGNT-CQSZACIVSA-N 1 1 298.308 3.020 20 30 CGEDMO Cc1cc(C[N@H+]2CCO[C@@H](C(F)(F)F)CC2)ccc1C#N ZINC000877820496 635224803 /nfs/dbraw/zinc/22/48/03/635224803.db2.gz QQNASWHCGMAGNT-CQSZACIVSA-N 1 1 298.308 3.020 20 30 CGEDMO C=CCN1CCC([NH2+][C@@H](C)c2ccc(Cl)cc2O)CC1 ZINC000841756875 635229982 /nfs/dbraw/zinc/22/99/82/635229982.db2.gz AVTBVOZXEZBRGY-LBPRGKRZSA-N 1 1 294.826 3.347 20 30 CGEDMO C=C(Br)C[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000126773208 635256837 /nfs/dbraw/zinc/25/68/37/635256837.db2.gz QZOZRZDHCVAWEW-UHFFFAOYSA-N 1 1 290.588 3.347 20 30 CGEDMO C=CC[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1SC ZINC000877947652 635283788 /nfs/dbraw/zinc/28/37/88/635283788.db2.gz QQHSFBMTMSTVES-GFCCVEGCSA-N 1 1 278.421 3.243 20 30 CGEDMO C=C/C=C/CC[N@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000878009811 635318459 /nfs/dbraw/zinc/31/84/59/635318459.db2.gz CPNKNMBOKJJEJR-SNAWJCMRSA-N 1 1 270.376 3.139 20 30 CGEDMO N#CC1CC[NH+](CCc2ccccc2Br)CC1 ZINC000878016758 635322374 /nfs/dbraw/zinc/32/23/74/635322374.db2.gz UTQFDNJINRYUFP-UHFFFAOYSA-N 1 1 293.208 3.227 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)C[C@@H]1CC2(CCC2)CO1 ZINC000878122435 635366303 /nfs/dbraw/zinc/36/63/03/635366303.db2.gz ZCGWEKQUOWIQIX-AWEZNQCLSA-N 1 1 264.413 3.207 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@@H]1CC2(CCC2)CO1 ZINC000878122435 635366309 /nfs/dbraw/zinc/36/63/09/635366309.db2.gz ZCGWEKQUOWIQIX-AWEZNQCLSA-N 1 1 264.413 3.207 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCC(C)(C)C1)c1ccccc1 ZINC000878149288 635380473 /nfs/dbraw/zinc/38/04/73/635380473.db2.gz MYOKOLOIOIGIGI-GOSISDBHSA-N 1 1 284.403 3.159 20 30 CGEDMO C=CC[C@@H](C)[N@@H+](C)Cc1nc([C@H](C)OCC(C)C)no1 ZINC000878154118 635383089 /nfs/dbraw/zinc/38/30/89/635383089.db2.gz PYASWGQHBZREKJ-OLZOCXBDSA-N 1 1 281.400 3.200 20 30 CGEDMO C=CC[C@@H](C)[N@H+](C)Cc1nc([C@H](C)OCC(C)C)no1 ZINC000878154118 635383093 /nfs/dbraw/zinc/38/30/93/635383093.db2.gz PYASWGQHBZREKJ-OLZOCXBDSA-N 1 1 281.400 3.200 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+]Cc1c(Cl)cncc1Cl ZINC000878661122 635595348 /nfs/dbraw/zinc/59/53/48/635595348.db2.gz XRZPTMKYNJIKMQ-LBPRGKRZSA-N 1 1 257.164 3.280 20 30 CGEDMO C#CCCCCC[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000878705564 635610799 /nfs/dbraw/zinc/61/07/99/635610799.db2.gz AHAFUJSIWMGNRM-DLBZAZTESA-N 1 1 263.425 3.053 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2coc(-c3cccc(OC)c3)n2)C1 ZINC000878844279 635640520 /nfs/dbraw/zinc/64/05/20/635640520.db2.gz VQQNVMJJTWGCEU-CQSZACIVSA-N 1 1 296.370 3.195 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2coc(-c3cccc(OC)c3)n2)C1 ZINC000878844279 635640527 /nfs/dbraw/zinc/64/05/27/635640527.db2.gz VQQNVMJJTWGCEU-CQSZACIVSA-N 1 1 296.370 3.195 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2coc(-c3ccccc3OC)n2)C1 ZINC000878843902 635640816 /nfs/dbraw/zinc/64/08/16/635640816.db2.gz LXVOOBDQRQSXIS-AWEZNQCLSA-N 1 1 296.370 3.195 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2coc(-c3ccccc3OC)n2)C1 ZINC000878843902 635640826 /nfs/dbraw/zinc/64/08/26/635640826.db2.gz LXVOOBDQRQSXIS-AWEZNQCLSA-N 1 1 296.370 3.195 20 30 CGEDMO C=C/C=C\CC[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000878888235 635650261 /nfs/dbraw/zinc/65/02/61/635650261.db2.gz LOAMFJFLQUTJES-LIMHQNJXSA-N 1 1 267.376 3.071 20 30 CGEDMO C=C/C=C\CC[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000878888235 635650263 /nfs/dbraw/zinc/65/02/63/635650263.db2.gz LOAMFJFLQUTJES-LIMHQNJXSA-N 1 1 267.376 3.071 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2nnc(-c3ccccc3O)o2)C1 ZINC000878914787 635657105 /nfs/dbraw/zinc/65/71/05/635657105.db2.gz JTRJESYCHOBNBZ-ZDUSSCGKSA-N 1 1 299.374 3.230 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000843423405 635666898 /nfs/dbraw/zinc/66/68/98/635666898.db2.gz NQEFSMSEFZLNBJ-CQSZACIVSA-N 1 1 299.443 3.384 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cc(F)cc(OC)c2)C1 ZINC000843423346 635667062 /nfs/dbraw/zinc/66/70/62/635667062.db2.gz MLQNEOOGFWIAHK-ZDUSSCGKSA-N 1 1 261.340 3.070 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2nc3ccccc3n2CC)C1 ZINC000843424108 635668034 /nfs/dbraw/zinc/66/80/34/635668034.db2.gz NYWKIIIUXMAVTJ-HNNXBMFYSA-N 1 1 281.403 3.292 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(OCC=C)c(OC)c2)C1 ZINC000843423709 635668305 /nfs/dbraw/zinc/66/83/05/635668305.db2.gz IQXBMRKMFVRHMD-MRXNPFEDSA-N 1 1 299.414 3.495 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000843423952 635668637 /nfs/dbraw/zinc/66/86/37/635668637.db2.gz MPIFYIZIPJHEMQ-HNNXBMFYSA-N 1 1 279.387 3.312 20 30 CGEDMO CC[N@@H+](CCSC)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000843437846 635676625 /nfs/dbraw/zinc/67/66/25/635676625.db2.gz XGBOESWGBMNBNR-ZDUSSCGKSA-N 1 1 278.421 3.162 20 30 CGEDMO C=C(Br)C[N@H+]1CCC[C@@H]1[C@H](O)c1ccccc1 ZINC000879243723 635733269 /nfs/dbraw/zinc/73/32/69/635733269.db2.gz WSJVROJYRVNZML-ZIAGYGMSSA-N 1 1 296.208 3.093 20 30 CGEDMO C=C(Br)C[N@@H+]1CCC[C@@H]1[C@H](O)c1ccccc1 ZINC000879243723 635733271 /nfs/dbraw/zinc/73/32/71/635733271.db2.gz WSJVROJYRVNZML-ZIAGYGMSSA-N 1 1 296.208 3.093 20 30 CGEDMO C[N@H+](C[C@H](O)c1ccc(Cl)c(F)c1)[C@H]1CCC[C@H]1C#N ZINC000879309326 635752795 /nfs/dbraw/zinc/75/27/95/635752795.db2.gz GIRHOSSUOIEYST-CQDKDKBSSA-N 1 1 296.773 3.137 20 30 CGEDMO C[N@@H+](C[C@H](O)c1ccc(Cl)c(F)c1)[C@H]1CCC[C@H]1C#N ZINC000879309326 635752797 /nfs/dbraw/zinc/75/27/97/635752797.db2.gz GIRHOSSUOIEYST-CQDKDKBSSA-N 1 1 296.773 3.137 20 30 CGEDMO C#CCCCCC[N@@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879692946 635836928 /nfs/dbraw/zinc/83/69/28/635836928.db2.gz GRLUAQGJZGBBPB-KRWDZBQOSA-N 1 1 283.419 3.060 20 30 CGEDMO C[N@@H+](Cc1ccc2cc[nH]c2c1)[C@H]1CC[C@@H](C#N)C1 ZINC000879724865 635842691 /nfs/dbraw/zinc/84/26/91/635842691.db2.gz QIQUUMCJLIBNEG-DOMZBBRYSA-N 1 1 253.349 3.292 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](c2ccccc2OC)CC1 ZINC000879730481 635845148 /nfs/dbraw/zinc/84/51/48/635845148.db2.gz CGEFVLOMTIVYQX-HNNXBMFYSA-N 1 1 257.377 3.288 20 30 CGEDMO Cc1cccc(C)c1C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844367792 635883217 /nfs/dbraw/zinc/88/32/17/635883217.db2.gz AXUSCBAVUNUMCE-LJQANCHMSA-N 1 1 294.398 3.341 20 30 CGEDMO C=CC(C)(C)CC(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000879968992 635891011 /nfs/dbraw/zinc/89/10/11/635891011.db2.gz RSPZVBPTHBRWAP-UHFFFAOYSA-N 1 1 292.423 3.162 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c1 ZINC000844435442 635900055 /nfs/dbraw/zinc/90/00/55/635900055.db2.gz NWBRXXZDWKNOLT-CQSZACIVSA-N 1 1 262.303 3.179 20 30 CGEDMO COCC1([N@@H+](C)Cc2ccc(C#N)cc2Cl)CCC1 ZINC000880185575 635929817 /nfs/dbraw/zinc/92/98/17/635929817.db2.gz USYOFVUEZYVWDK-UHFFFAOYSA-N 1 1 278.783 3.213 20 30 CGEDMO FC[C@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000880294083 635967216 /nfs/dbraw/zinc/96/72/16/635967216.db2.gz RLWFEJNXQZRFMU-CYBMUJFWSA-N 1 1 285.284 3.348 20 30 CGEDMO N#CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@@H](CF)C1 ZINC000880294648 635967495 /nfs/dbraw/zinc/96/74/95/635967495.db2.gz WUJYJAJCJGVRRG-NSHDSACASA-N 1 1 282.746 3.034 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H](CF)C1 ZINC000880294806 635967681 /nfs/dbraw/zinc/96/76/81/635967681.db2.gz MEEHPLNLCLVUKM-ZDUSSCGKSA-N 1 1 260.356 3.279 20 30 CGEDMO CO[C@]1(C(F)(F)F)CC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000880302619 635971039 /nfs/dbraw/zinc/97/10/39/635971039.db2.gz JGHWKJWSXKFYIH-SMDDNHRTSA-N 1 1 298.308 3.272 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@H](c3nccs3)C2)cc1C#N ZINC000880320832 635974967 /nfs/dbraw/zinc/97/49/67/635974967.db2.gz ZNWVBBKBZDJWKH-ZDUSSCGKSA-N 1 1 299.399 3.013 20 30 CGEDMO N#CCCCC[N@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000880574174 636024118 /nfs/dbraw/zinc/02/41/18/636024118.db2.gz IOUYKZGYSDIORF-INIZCTEOSA-N 1 1 264.413 3.209 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000880574793 636024934 /nfs/dbraw/zinc/02/49/34/636024934.db2.gz NWENNOVVOWZEFF-CQSZACIVSA-N 1 1 257.805 3.268 20 30 CGEDMO Cc1[nH+]ccn1CCCCNc1ccc(C#N)cc1C ZINC000846749790 636223529 /nfs/dbraw/zinc/22/35/29/636223529.db2.gz IVMRVJUUSZLIMY-UHFFFAOYSA-N 1 1 268.364 3.264 20 30 CGEDMO C=CCCn1cc(C[NH+]2CCC(CC(C)C)CC2)nn1 ZINC000846816977 636250161 /nfs/dbraw/zinc/25/01/61/636250161.db2.gz LBXBKAWBQXLCHR-UHFFFAOYSA-N 1 1 276.428 3.112 20 30 CGEDMO C=CCCn1cc(C[NH2+]C(C)(C)c2ccc(F)cc2)nn1 ZINC000846824510 636251416 /nfs/dbraw/zinc/25/14/16/636251416.db2.gz BVPKRYPJPGIQKB-UHFFFAOYSA-N 1 1 288.370 3.018 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3cccs3)o2)C1 ZINC000847032590 636318049 /nfs/dbraw/zinc/31/80/49/636318049.db2.gz XGTKUYKKFQBQEG-NWDGAFQWSA-N 1 1 287.388 3.204 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@@H](C)c2nnc(-c3cccs3)o2)C1 ZINC000847032590 636318063 /nfs/dbraw/zinc/31/80/63/636318063.db2.gz XGTKUYKKFQBQEG-NWDGAFQWSA-N 1 1 287.388 3.204 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000847030234 636318638 /nfs/dbraw/zinc/31/86/38/636318638.db2.gz PIQYQNNVRBRCAE-ZDUSSCGKSA-N 1 1 284.334 3.326 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000847030234 636318642 /nfs/dbraw/zinc/31/86/42/636318642.db2.gz PIQYQNNVRBRCAE-ZDUSSCGKSA-N 1 1 284.334 3.326 20 30 CGEDMO Cc1cc[nH+]c(NCc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000131096695 636555714 /nfs/dbraw/zinc/55/57/14/636555714.db2.gz GTHJYQUPZIUQNJ-CYBMUJFWSA-N 1 1 267.332 3.293 20 30 CGEDMO C=CCC[C@@H]([NH2+]C1CCN(CC(C)C)CC1)[C@@H]1CCCO1 ZINC000883169848 636565076 /nfs/dbraw/zinc/56/50/76/636565076.db2.gz FSZMSZOKRZVHNJ-MSOLQXFVSA-N 1 1 294.483 3.210 20 30 CGEDMO c1ccc(CCCNN=C2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000848405609 636568509 /nfs/dbraw/zinc/56/85/09/636568509.db2.gz QULMPZQPCDTOLP-SFHVURJKSA-N 1 1 285.435 3.213 20 30 CGEDMO Fc1ccc(CON=C2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000848408058 636569659 /nfs/dbraw/zinc/56/96/59/636569659.db2.gz DZXQIQORQAXMNO-INIZCTEOSA-N 1 1 276.355 3.347 20 30 CGEDMO C[C@@H](CNCc1ccc(C(C)(C)C#N)cc1)[NH+]1CCCCC1 ZINC000848528685 636590040 /nfs/dbraw/zinc/59/00/40/636590040.db2.gz NNOFZDAOQKDSLH-INIZCTEOSA-N 1 1 299.462 3.452 20 30 CGEDMO C[NH+](C)[C@H]1CCC[C@@H](NCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000848541305 636597674 /nfs/dbraw/zinc/59/76/74/636597674.db2.gz WMMQABXARYTXOR-MSOLQXFVSA-N 1 1 299.462 3.450 20 30 CGEDMO CC1CCC(c2noc([C@H]([NH3+])CCCCC#N)n2)CC1 ZINC000848621286 636621011 /nfs/dbraw/zinc/62/10/11/636621011.db2.gz LBRHRAQBFPTTQY-WXRRBKDZSA-N 1 1 276.384 3.447 20 30 CGEDMO CCc1ccccc1-c1noc([C@H]([NH3+])CCCCC#N)n1 ZINC000848622321 636621365 /nfs/dbraw/zinc/62/13/65/636621365.db2.gz UJPMUGQCNUQSLS-CQSZACIVSA-N 1 1 284.363 3.383 20 30 CGEDMO C=C(C)CCOC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000848778204 636656373 /nfs/dbraw/zinc/65/63/73/636656373.db2.gz WCEACMGRLRYQGA-MRXNPFEDSA-N 1 1 273.376 3.018 20 30 CGEDMO CCOc1ccc(O)c(C[N@@H+]2Cc3ccc(C#N)cc3C2)c1 ZINC000848925535 636696877 /nfs/dbraw/zinc/69/68/77/636696877.db2.gz GLLJLQGHXNRMFB-UHFFFAOYSA-N 1 1 294.354 3.178 20 30 CGEDMO CCOc1ccc(O)c(C[N@H+]2Cc3ccc(C#N)cc3C2)c1 ZINC000848925535 636696881 /nfs/dbraw/zinc/69/68/81/636696881.db2.gz GLLJLQGHXNRMFB-UHFFFAOYSA-N 1 1 294.354 3.178 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ncc(C(C)(C)C)s2)C1 ZINC000848924472 636698187 /nfs/dbraw/zinc/69/81/87/636698187.db2.gz SZMRUSCFQILXIE-GFCCVEGCSA-N 1 1 262.422 3.286 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ncc(C(C)(C)C)s2)C1 ZINC000848924472 636698192 /nfs/dbraw/zinc/69/81/92/636698192.db2.gz SZMRUSCFQILXIE-GFCCVEGCSA-N 1 1 262.422 3.286 20 30 CGEDMO C#CC[N@H+](CCO[C@@H]1CC1(F)F)[C@H]1CCc2ccccc21 ZINC000851735652 637483902 /nfs/dbraw/zinc/48/39/02/637483902.db2.gz HNJWMTANDPWICT-JKSUJKDBSA-N 1 1 291.341 3.033 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000886353655 637509213 /nfs/dbraw/zinc/50/92/13/637509213.db2.gz MYHHEVKGRGHACV-ZDUSSCGKSA-N 1 1 284.334 3.326 20 30 CGEDMO C#CC[C@H]1CC[N@H+]([C@@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000886355512 637511538 /nfs/dbraw/zinc/51/15/38/637511538.db2.gz JQSGDYGLRSZFGG-KBPBESRZSA-N 1 1 281.359 3.143 20 30 CGEDMO Cc1ccccc1[C@@H](CO)[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000886441849 637529986 /nfs/dbraw/zinc/52/99/86/637529986.db2.gz IRFOGMWSDZPMBQ-LJQANCHMSA-N 1 1 294.398 3.075 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CC[C@H](C)[C@@H]2c2ccccc2)nn1 ZINC000886541267 637566838 /nfs/dbraw/zinc/56/68/38/637566838.db2.gz SQUORKYYAJJQCY-MAUKXSAKSA-N 1 1 296.418 3.437 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000852087440 637587614 /nfs/dbraw/zinc/58/76/14/637587614.db2.gz JRFSQWMUFGSZDE-OAHLLOKOSA-N 1 1 295.361 3.472 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000852087440 637587619 /nfs/dbraw/zinc/58/76/19/637587619.db2.gz JRFSQWMUFGSZDE-OAHLLOKOSA-N 1 1 295.361 3.472 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000852098322 637590717 /nfs/dbraw/zinc/59/07/17/637590717.db2.gz JXTDUFNPGPPIEK-INIZCTEOSA-N 1 1 254.333 3.233 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+]Cc1coc(-c2ccc(F)cc2)n1 ZINC000852098494 637591948 /nfs/dbraw/zinc/59/19/48/637591948.db2.gz OSWPAWASAKCLDV-INIZCTEOSA-N 1 1 272.323 3.372 20 30 CGEDMO N#Cc1ccc(CC[N@@H+]2CCC[C@]3(CC3(F)F)C2)cc1 ZINC000852214293 637617746 /nfs/dbraw/zinc/61/77/46/637617746.db2.gz UXGRAMHLAMQVLI-HNNXBMFYSA-N 1 1 276.330 3.222 20 30 CGEDMO C[N@@H+](CCC(C)(C)C#N)CC(C)(C)NC(=O)OC(C)(C)C ZINC000852307602 637631114 /nfs/dbraw/zinc/63/11/14/637631114.db2.gz ZREBXMXXOQTXBU-UHFFFAOYSA-N 1 1 297.443 3.161 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)c(F)c2)C1 ZINC000852408961 637647325 /nfs/dbraw/zinc/64/73/25/637647325.db2.gz DMTDZEOQNMUPKS-BLLLJJGKSA-N 1 1 281.346 3.286 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](C[C@H](O)c2cc(F)ccc2F)C1 ZINC000852410916 637649297 /nfs/dbraw/zinc/64/92/97/637649297.db2.gz QGXYRAPRWHWCQM-LRDDRELGSA-N 1 1 281.346 3.286 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886686789 637651543 /nfs/dbraw/zinc/65/15/43/637651543.db2.gz XPNVOTQNEOKBOT-YOEHRIQHSA-N 1 1 292.386 3.289 20 30 CGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CC[C@@H](C3CCCCC3)C2)cc1 ZINC000852488803 637661792 /nfs/dbraw/zinc/66/17/92/637661792.db2.gz AVGRFHFIYHZQRX-MOPGFXCFSA-N 1 1 298.430 3.494 20 30 CGEDMO C=CC[N@H+](CCCCC1(C)OCCO1)C(C)(C)C ZINC000852554602 637678517 /nfs/dbraw/zinc/67/85/17/637678517.db2.gz SEWPPPRBQNHVEO-UHFFFAOYSA-N 1 1 255.402 3.206 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000852680065 637694227 /nfs/dbraw/zinc/69/42/27/637694227.db2.gz KZQUYSZSDYXDFV-INIZCTEOSA-N 1 1 280.456 3.291 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnc(Cl)s1 ZINC000852686678 637695561 /nfs/dbraw/zinc/69/55/61/637695561.db2.gz ZCYWBHYZZCEZMX-AOOOYVTPSA-N 1 1 254.786 3.480 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnc(Cl)s1 ZINC000852686678 637695563 /nfs/dbraw/zinc/69/55/63/637695563.db2.gz ZCYWBHYZZCEZMX-AOOOYVTPSA-N 1 1 254.786 3.480 20 30 CGEDMO OC1CCN(c2ccc(C=[NH+]Nc3ccccc3)cc2)CC1 ZINC000853254808 637795306 /nfs/dbraw/zinc/79/53/06/637795306.db2.gz HGDQECLWBBFBPB-UHFFFAOYSA-N 1 1 295.386 3.094 20 30 CGEDMO CCN(CC)c1ncc(C=[NH+]N2CCCC[C@@H]2C)s1 ZINC000853379192 637827550 /nfs/dbraw/zinc/82/75/50/637827550.db2.gz LZKMWEFQSFNCTN-LBPRGKRZSA-N 1 1 280.441 3.198 20 30 CGEDMO C#Cc1cccnc1N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000853479998 637852384 /nfs/dbraw/zinc/85/23/84/637852384.db2.gz BNLZIRRCFVNRQR-CQSZACIVSA-N 1 1 297.427 3.008 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cn2cnc(-c3ccccc3)n2)C1 ZINC000853536600 637863888 /nfs/dbraw/zinc/86/38/88/637863888.db2.gz FNGWNXJGDCJUQB-HNNXBMFYSA-N 1 1 282.391 3.191 20 30 CGEDMO CCc1oc2ccccc2c1C=NOCCc1c[nH+]cn1C ZINC000853646047 637880960 /nfs/dbraw/zinc/88/09/60/637880960.db2.gz OEFBDAOSUARWJG-UHFFFAOYSA-N 1 1 297.358 3.322 20 30 CGEDMO CC(C)CCC(N)=[NH+]OCCc1ccc(C#N)cc1 ZINC000853659522 637884746 /nfs/dbraw/zinc/88/47/46/637884746.db2.gz SLWPNUSXLQMCBD-UHFFFAOYSA-N 1 1 259.353 3.035 20 30 CGEDMO CC[C@H]([NH2+]Cc1ccco1)c1cccc(C#N)c1O ZINC000924541958 638357076 /nfs/dbraw/zinc/35/70/76/638357076.db2.gz WQNIDKMCFXOSGD-AWEZNQCLSA-N 1 1 256.305 3.098 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000857201273 638472160 /nfs/dbraw/zinc/47/21/60/638472160.db2.gz UBTKOAUWRCKFOW-CVEARBPZSA-N 1 1 298.430 3.195 20 30 CGEDMO C=CCCC(=O)OC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000114989773 638479060 /nfs/dbraw/zinc/47/90/60/638479060.db2.gz YTWVVLFPKKGQPR-KRWDZBQOSA-N 1 1 287.403 3.408 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858046791 638621303 /nfs/dbraw/zinc/62/13/03/638621303.db2.gz DYWUJWBCJAGWEC-WMLDXEAASA-N 1 1 284.403 3.214 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000929164910 638903834 /nfs/dbraw/zinc/90/38/34/638903834.db2.gz PECIUWYISZTVKU-KGLIPLIRSA-N 1 1 298.308 3.100 20 30 CGEDMO COCC[N@@H+](Cc1ccco1)Cc1c(C)cc(C#N)cc1C ZINC000929258144 638912572 /nfs/dbraw/zinc/91/25/72/638912572.db2.gz VBNBLBBHAZJAFO-UHFFFAOYSA-N 1 1 298.386 3.417 20 30 CGEDMO Cc1cc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c(C)nn1 ZINC000929380598 638922906 /nfs/dbraw/zinc/92/29/06/638922906.db2.gz ZPKWVBVXWLUHRQ-UHFFFAOYSA-N 1 1 294.402 3.376 20 30 CGEDMO COCC[N@@H+](CCCC(C)(F)F)Cc1ccc(C#N)cc1 ZINC000929395017 638923639 /nfs/dbraw/zinc/92/36/39/638923639.db2.gz KJVJSEUTHDQUMN-UHFFFAOYSA-N 1 1 296.361 3.442 20 30 CGEDMO CCN(CC)[C@H]1CC[N@H+](CCCCC2(C#N)CCC2)C1 ZINC000929748647 638946699 /nfs/dbraw/zinc/94/66/99/638946699.db2.gz AFHRBAKYDMMNAV-INIZCTEOSA-N 1 1 277.456 3.267 20 30 CGEDMO CCN(CC)[C@H]1CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000929748647 638946700 /nfs/dbraw/zinc/94/67/00/638946700.db2.gz AFHRBAKYDMMNAV-INIZCTEOSA-N 1 1 277.456 3.267 20 30 CGEDMO CC1(C)CCC[C@@H]1[N@H+](Cc1ccccc1)C[C@H](O)CC#N ZINC000929802489 638952892 /nfs/dbraw/zinc/95/28/92/638952892.db2.gz AIEYTPDWSJQMRQ-SJORKVTESA-N 1 1 286.419 3.342 20 30 CGEDMO CC(C)OC(=O)[C@@H](C)[N@@H+](C)CCCCC1(C#N)CCC1 ZINC000929837814 638956369 /nfs/dbraw/zinc/95/63/69/638956369.db2.gz XBHZMMDJXGZQHG-CQSZACIVSA-N 1 1 280.412 3.122 20 30 CGEDMO CC[N@@H+](C[C@H](O)CC#N)C(c1ccccc1)c1ccccc1 ZINC000929968227 638964938 /nfs/dbraw/zinc/96/49/38/638964938.db2.gz NIYCJIRAQKOEBR-GOSISDBHSA-N 1 1 294.398 3.372 20 30 CGEDMO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1cncc(C#N)c1)CCC2 ZINC000929977285 638965456 /nfs/dbraw/zinc/96/54/56/638965456.db2.gz WTYKYWAJXPJESW-OAHLLOKOSA-N 1 1 298.415 3.228 20 30 CGEDMO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1cncc(C#N)c1)CCC2 ZINC000929977285 638965457 /nfs/dbraw/zinc/96/54/57/638965457.db2.gz WTYKYWAJXPJESW-OAHLLOKOSA-N 1 1 298.415 3.228 20 30 CGEDMO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)CC1CCC(C#N)CC1 ZINC000930064735 638972047 /nfs/dbraw/zinc/97/20/47/638972047.db2.gz BESRUKBVBVKPRC-XUJLQICISA-N 1 1 286.423 3.059 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H](C(F)F)C1 ZINC000930128419 638976825 /nfs/dbraw/zinc/97/68/25/638976825.db2.gz UZEJQMTXZXFTEK-ZDUSSCGKSA-N 1 1 264.319 3.262 20 30 CGEDMO C=CC[N@H+](Cc1ccc(C(=O)OC)c2cccnc12)C1CC1 ZINC000930176547 638979442 /nfs/dbraw/zinc/97/94/42/638979442.db2.gz TZUANJDKSGPJOY-UHFFFAOYSA-N 1 1 296.370 3.172 20 30 CGEDMO Cc1cc(C)nc(C[NH2+]C2(c3cccc(C#N)c3)CC2)c1 ZINC000930220066 638983875 /nfs/dbraw/zinc/98/38/75/638983875.db2.gz VIBWMQIBECABTL-UHFFFAOYSA-N 1 1 277.371 3.349 20 30 CGEDMO N#CC1CCC(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)CC1 ZINC000930521839 639017034 /nfs/dbraw/zinc/01/70/34/639017034.db2.gz LPLAEAPQTSBPED-GQGLESIBSA-N 1 1 288.435 3.350 20 30 CGEDMO CN1CCC[C@]2(CC[N@H+](CCCCC3(C#N)CCC3)C2)C1 ZINC000930577341 639030757 /nfs/dbraw/zinc/03/07/57/639030757.db2.gz SJFRGQICFYRJPK-SFHVURJKSA-N 1 1 289.467 3.268 20 30 CGEDMO CN1CCC[C@]2(CC[N@@H+](CCCCC3(C#N)CCC3)C2)C1 ZINC000930577341 639030762 /nfs/dbraw/zinc/03/07/62/639030762.db2.gz SJFRGQICFYRJPK-SFHVURJKSA-N 1 1 289.467 3.268 20 30 CGEDMO CO[C@H]1CC[N@@H+](CC2CCC(C#N)CC2)CC1(C)C ZINC000930638750 639043161 /nfs/dbraw/zinc/04/31/61/639043161.db2.gz ORLFOZUUQJWMEG-NRXISQOPSA-N 1 1 264.413 3.063 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](CCOC2CCSCC2)C1 ZINC000930963656 639091517 /nfs/dbraw/zinc/09/15/17/639091517.db2.gz WFYGXBPZKMCAON-AWEZNQCLSA-N 1 1 269.454 3.187 20 30 CGEDMO N#CC1CCC(C[N@@H+]2CCC[C@@H](CCF)C2)CC1 ZINC000931014819 639098882 /nfs/dbraw/zinc/09/88/82/639098882.db2.gz QGGLNQZQFCZRBU-SLTAFYQDSA-N 1 1 252.377 3.388 20 30 CGEDMO CC1(C)CC[C@H](CO)[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000931102489 639112338 /nfs/dbraw/zinc/11/23/38/639112338.db2.gz GYEVVTWOROVDJW-OAHLLOKOSA-N 1 1 278.440 3.333 20 30 CGEDMO C=CCCCCC[N@@H+]1CCc2nc[nH]c2C12CCOCC2 ZINC000931107477 639112543 /nfs/dbraw/zinc/11/25/43/639112543.db2.gz HCRRCWGBNIEYQZ-UHFFFAOYSA-N 1 1 289.423 3.020 20 30 CGEDMO C=CCCCCC[N@H+]1CCc2nc[nH]c2C12CCOCC2 ZINC000931107477 639112549 /nfs/dbraw/zinc/11/25/49/639112549.db2.gz HCRRCWGBNIEYQZ-UHFFFAOYSA-N 1 1 289.423 3.020 20 30 CGEDMO CC(C)C[N@H+](Cc1cccc(Cl)c1)C[C@H](O)CC#N ZINC000931105228 639112626 /nfs/dbraw/zinc/11/26/26/639112626.db2.gz XPYXFAMQZAUPRD-OAHLLOKOSA-N 1 1 280.799 3.073 20 30 CGEDMO Cc1cc(Cl)ccc1C1=CC[N@@H+](C[C@H](O)CC#N)CC1 ZINC000931257723 639127861 /nfs/dbraw/zinc/12/78/61/639127861.db2.gz HIYVYFROKIQGCR-OAHLLOKOSA-N 1 1 290.794 3.012 20 30 CGEDMO C#C[C@](C)(CC)[NH2+]Cc1coc(-c2ccccc2F)n1 ZINC000859318498 639128248 /nfs/dbraw/zinc/12/82/48/639128248.db2.gz CYMZIPXEAIDTEP-MRXNPFEDSA-N 1 1 272.323 3.372 20 30 CGEDMO C[NH+](C)C1(C)CCN(CCCCC2(C#N)CCC2)CC1 ZINC000931357281 639140358 /nfs/dbraw/zinc/14/03/58/639140358.db2.gz UTENOPKOEUBLPT-UHFFFAOYSA-N 1 1 277.456 3.267 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2cnc(Cl)c(F)c2)C1 ZINC000859445292 639143084 /nfs/dbraw/zinc/14/30/84/639143084.db2.gz DXUSIWGTTUDHNC-SNVBAGLBSA-N 1 1 254.736 3.272 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cnc(Cl)c(F)c2)C1 ZINC000859445292 639143090 /nfs/dbraw/zinc/14/30/90/639143090.db2.gz DXUSIWGTTUDHNC-SNVBAGLBSA-N 1 1 254.736 3.272 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000931474742 639157897 /nfs/dbraw/zinc/15/78/97/639157897.db2.gz IEGQJMPRRCLBRW-DOTOQJQBSA-N 1 1 267.376 3.299 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000931474742 639157900 /nfs/dbraw/zinc/15/79/00/639157900.db2.gz IEGQJMPRRCLBRW-DOTOQJQBSA-N 1 1 267.376 3.299 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCC[C@H](C3CCC3)CC2)c1 ZINC000931506777 639161341 /nfs/dbraw/zinc/16/13/41/639161341.db2.gz CXKGLWBSQPNUON-KRWDZBQOSA-N 1 1 269.392 3.355 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]3CSC[C@H]3C2)c1 ZINC000931547802 639168022 /nfs/dbraw/zinc/16/80/22/639168022.db2.gz HAXIUZSWWNQBDD-ZIAGYGMSSA-N 1 1 292.835 3.397 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@](O)(c3ccccc3)C2)cc1 ZINC000859583601 639168245 /nfs/dbraw/zinc/16/82/45/639168245.db2.gz USEJFXLPTBFVSI-LJQANCHMSA-N 1 1 292.382 3.042 20 30 CGEDMO C=CCCC[N@H+]1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC000931793387 639206519 /nfs/dbraw/zinc/20/65/19/639206519.db2.gz BKIRUUXYCGFRNT-QGZVFWFLSA-N 1 1 267.376 3.323 20 30 CGEDMO CC(C)(C#N)CC[N@@H+]1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC000931795793 639208228 /nfs/dbraw/zinc/20/82/28/639208228.db2.gz JBXZIHOMTQRTCG-KRWDZBQOSA-N 1 1 294.402 3.297 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC000931795793 639208235 /nfs/dbraw/zinc/20/82/35/639208235.db2.gz JBXZIHOMTQRTCG-KRWDZBQOSA-N 1 1 294.402 3.297 20 30 CGEDMO FC1(F)C[C@@]2(CC[N@@H+](CC#Cc3ccccc3)C2)C1(F)F ZINC000931915297 639229055 /nfs/dbraw/zinc/22/90/55/639229055.db2.gz ZXXDIRGZGFLAGU-CQSZACIVSA-N 1 1 297.295 3.405 20 30 CGEDMO C#CCCC[N@@H+]1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC000860103950 639283114 /nfs/dbraw/zinc/28/31/14/639283114.db2.gz CZAITGFMHBSDQE-CQSZACIVSA-N 1 1 261.340 3.037 20 30 CGEDMO C/C=C\C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000860182833 639303664 /nfs/dbraw/zinc/30/36/64/639303664.db2.gz UEIVRBXFKIGHAP-IFEGVLKZSA-N 1 1 284.403 3.270 20 30 CGEDMO Cn1nccc1[C@@H]1CCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000932263832 639304415 /nfs/dbraw/zinc/30/44/15/639304415.db2.gz XVMWTGFQSOGNAS-INIZCTEOSA-N 1 1 286.423 3.421 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@@H]1c1ccnn1C ZINC000932264419 639304915 /nfs/dbraw/zinc/30/49/15/639304915.db2.gz YKJMWWSPLMACGF-GOSISDBHSA-N 1 1 294.402 3.246 20 30 CGEDMO C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCOCCC#N ZINC000932276963 639311488 /nfs/dbraw/zinc/31/14/88/639311488.db2.gz ZAYIKRVGSCOHRW-WBVHZDCISA-N 1 1 272.392 3.185 20 30 CGEDMO N#CCCOCC[N@H+](Cc1cccc(F)c1)C1CCC1 ZINC000932407379 639326197 /nfs/dbraw/zinc/32/61/97/639326197.db2.gz YTPGIAFRYDUXSD-UHFFFAOYSA-N 1 1 276.355 3.110 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](Cc1cccc(F)c1)C1CCC1 ZINC000932402966 639326830 /nfs/dbraw/zinc/32/68/30/639326830.db2.gz LDFXHRVKTNTNFE-CYBMUJFWSA-N 1 1 276.355 3.109 20 30 CGEDMO C[C@@H](COCC1CCCCC1)[NH2+]Cc1ccncc1C#N ZINC000932422857 639329936 /nfs/dbraw/zinc/32/99/36/639329936.db2.gz MYPMOWAJYZZESC-AWEZNQCLSA-N 1 1 287.407 3.028 20 30 CGEDMO C#CC[N@@H+](CC(=O)Nc1c(C)cccc1Cl)C(C)(C)C ZINC000932463817 639337789 /nfs/dbraw/zinc/33/77/89/639337789.db2.gz OPYWVUKNKVXGNM-UHFFFAOYSA-N 1 1 292.810 3.321 20 30 CGEDMO C#CC[N@H+](CC(=O)Nc1c(C)cccc1Cl)C(C)(C)C ZINC000932463817 639337795 /nfs/dbraw/zinc/33/77/95/639337795.db2.gz OPYWVUKNKVXGNM-UHFFFAOYSA-N 1 1 292.810 3.321 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000932701664 639374799 /nfs/dbraw/zinc/37/47/99/639374799.db2.gz LUFFKWYXFRUQLY-UONOGXRCSA-N 1 1 282.428 3.045 20 30 CGEDMO Cc1csc(C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)n1 ZINC000933131573 639421425 /nfs/dbraw/zinc/42/14/25/639421425.db2.gz XHLNAJNBGAIZDK-QGZVFWFLSA-N 1 1 296.439 3.368 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](Cc2nc(C)cs2)C1 ZINC000933134057 639423266 /nfs/dbraw/zinc/42/32/66/639423266.db2.gz KKSFXEQYKZKFJH-ZDUSSCGKSA-N 1 1 250.411 3.282 20 30 CGEDMO C#CCC1([NH2+]Cc2noc(C(C)(C)C)n2)CCCCC1 ZINC000933268130 639434688 /nfs/dbraw/zinc/43/46/88/639434688.db2.gz RNPQHHCKYHLWJQ-UHFFFAOYSA-N 1 1 275.396 3.183 20 30 CGEDMO CCC[C@H](C)[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933630944 639471817 /nfs/dbraw/zinc/47/18/17/639471817.db2.gz WOBNEJIOHPAMKB-BBRMVZONSA-N 1 1 258.365 3.120 20 30 CGEDMO CC(C)CC(N)=[NH+]OCc1ccccc1OC(F)F ZINC000117868530 639473430 /nfs/dbraw/zinc/47/34/30/639473430.db2.gz ZGCGVGCWEMXIJB-UHFFFAOYSA-N 1 1 272.295 3.123 20 30 CGEDMO N#CCCC[N@H+]1CCC[C@@]2(C=Cc3ccccc3O2)C1 ZINC000933655555 639476371 /nfs/dbraw/zinc/47/63/71/639476371.db2.gz JRNXTPUMBGZDCQ-QGZVFWFLSA-N 1 1 268.360 3.231 20 30 CGEDMO C[C@]12C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000933705346 639480838 /nfs/dbraw/zinc/48/08/38/639480838.db2.gz JSLXMYKXMVVCBS-OGWHTMIXSA-N 1 1 294.398 3.233 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@H]1CCC(F)(F)C1 ZINC000933770106 639487726 /nfs/dbraw/zinc/48/77/26/639487726.db2.gz JVBZXTIHJRCPGM-JTQLQIEISA-N 1 1 270.348 3.487 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCCSC[C@@H]2C2CC2)c1 ZINC000933917506 639508894 /nfs/dbraw/zinc/50/88/94/639508894.db2.gz LVVAFVULCOIZEG-MRXNPFEDSA-N 1 1 272.417 3.276 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CC[C@H](Cc2nccs2)C1 ZINC000934334852 639586874 /nfs/dbraw/zinc/58/68/74/639586874.db2.gz XNVOAOUUMKJTNN-CYBMUJFWSA-N 1 1 277.437 3.337 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1[C@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000934466540 639613100 /nfs/dbraw/zinc/61/31/00/639613100.db2.gz SKVLGMUMVJZEOS-TZMCWYRMSA-N 1 1 299.374 3.457 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000934466540 639613107 /nfs/dbraw/zinc/61/31/07/639613107.db2.gz SKVLGMUMVJZEOS-TZMCWYRMSA-N 1 1 299.374 3.457 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1C[C@H](O)c1ccccc1C(F)(F)F ZINC000934471147 639615090 /nfs/dbraw/zinc/61/50/90/639615090.db2.gz RXPJIJMKWSGRCJ-FZMZJTMJSA-N 1 1 285.309 3.389 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1cccc(C)c1C ZINC000934472596 639615821 /nfs/dbraw/zinc/61/58/21/639615821.db2.gz OJHYLUJYKGLBSV-CABCVRRESA-N 1 1 272.392 3.281 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000934471973 639615873 /nfs/dbraw/zinc/61/58/73/639615873.db2.gz XKDHEAJRLSJHNG-HNNXBMFYSA-N 1 1 253.349 3.023 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000934468844 639616078 /nfs/dbraw/zinc/61/60/78/639616078.db2.gz KVLJMIGZJPWQFJ-ZFWWWQNUSA-N 1 1 283.375 3.372 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000934468844 639616081 /nfs/dbraw/zinc/61/60/81/639616081.db2.gz KVLJMIGZJPWQFJ-ZFWWWQNUSA-N 1 1 283.375 3.372 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000934647454 639649012 /nfs/dbraw/zinc/64/90/12/639649012.db2.gz ZJEUPVYJHAMGDH-CYBMUJFWSA-N 1 1 285.391 3.422 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC000934732759 639669328 /nfs/dbraw/zinc/66/93/28/639669328.db2.gz FONQVIIEUYEXBK-INIZCTEOSA-N 1 1 280.412 3.038 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000934873974 639693838 /nfs/dbraw/zinc/69/38/38/639693838.db2.gz ICQLWDSODMUBAY-DLBZAZTESA-N 1 1 299.418 3.468 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)c1 ZINC000934881106 639698876 /nfs/dbraw/zinc/69/88/76/639698876.db2.gz WHSVINNQVMCNBH-AWEZNQCLSA-N 1 1 299.418 3.492 20 30 CGEDMO C#CCOc1ccc(CNc2ccc(C)c[nH+]2)cc1 ZINC000157451024 639990570 /nfs/dbraw/zinc/99/05/70/639990570.db2.gz WPARRIPCJHPOER-UHFFFAOYSA-N 1 1 252.317 3.014 20 30 CGEDMO CCCCC(N)=[NH+]OCc1cc(-c2ccccc2)on1 ZINC000049066183 640080448 /nfs/dbraw/zinc/08/04/48/640080448.db2.gz LUYJPYSBOPUJNH-UHFFFAOYSA-N 1 1 273.336 3.321 20 30 CGEDMO CC[N@H+](Cc1ccccc1C#N)C[C@@H](O)c1ccc(C)cc1 ZINC000076016139 640166324 /nfs/dbraw/zinc/16/63/24/640166324.db2.gz OMSZKTYEWYPEBE-LJQANCHMSA-N 1 1 294.398 3.422 20 30 CGEDMO CCCCCCCCN1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000189886493 640210935 /nfs/dbraw/zinc/21/09/35/640210935.db2.gz WWJOFMHABMASMT-MRXNPFEDSA-N 1 1 284.488 3.124 20 30 CGEDMO CCCCCCCC[N@@H+]1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000189886493 640210940 /nfs/dbraw/zinc/21/09/40/640210940.db2.gz WWJOFMHABMASMT-MRXNPFEDSA-N 1 1 284.488 3.124 20 30 CGEDMO CCCCCCCC[N@H+]1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000189886493 640210947 /nfs/dbraw/zinc/21/09/47/640210947.db2.gz WWJOFMHABMASMT-MRXNPFEDSA-N 1 1 284.488 3.124 20 30 CGEDMO CC[N@@H+](CC#Cc1ccccc1)C[C@H](O)c1ccc(C)cc1 ZINC000192048447 640346671 /nfs/dbraw/zinc/34/66/71/640346671.db2.gz STSIITWUADHOFS-FQEVSTJZSA-N 1 1 293.410 3.402 20 30 CGEDMO Cc1csc([C@@H](C)[NH2+]Cc2ccc(OCC#N)cc2)n1 ZINC000080274055 640460273 /nfs/dbraw/zinc/46/02/73/640460273.db2.gz MQWBKBXQSGMAQJ-GFCCVEGCSA-N 1 1 287.388 3.205 20 30 CGEDMO CCCCC(N)=[NH+]OCc1cc(C(C)=O)ccc1OCC ZINC000194346176 640528084 /nfs/dbraw/zinc/52/80/84/640528084.db2.gz WBLKXFVYADXHIB-UHFFFAOYSA-N 1 1 292.379 3.267 20 30 CGEDMO CC[C@H]1CC[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000091929547 640725777 /nfs/dbraw/zinc/72/57/77/640725777.db2.gz OGSJSFHFMSIBDU-KBPBESRZSA-N 1 1 258.365 3.209 20 30 CGEDMO CC#CCC[N@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000248388249 640753590 /nfs/dbraw/zinc/75/35/90/640753590.db2.gz DHZQUFWZVASCCL-HLLBOEOZSA-N 1 1 257.377 3.250 20 30 CGEDMO N#Cc1ccc([C@@H](O)C[N@@H+](Cc2ccccc2)C2CC2)cc1 ZINC000305064290 640877695 /nfs/dbraw/zinc/87/76/95/640877695.db2.gz LCSMHWGYNSAENM-IBGZPJMESA-N 1 1 292.382 3.256 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)=C1CCCC1 ZINC001017467583 640903996 /nfs/dbraw/zinc/90/39/96/640903996.db2.gz RCBBDLUXVYOPHW-CALCHBBNSA-N 1 1 288.435 3.128 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C)s2)C1 ZINC001006604182 640937003 /nfs/dbraw/zinc/93/70/03/640937003.db2.gz RVISRBCEKMWUIS-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001007024862 640937682 /nfs/dbraw/zinc/93/76/82/640937682.db2.gz FVOVYHMGGLVSNK-CQSZACIVSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001007369290 640940946 /nfs/dbraw/zinc/94/09/46/640940946.db2.gz VADAWXGRRFVCLW-HRCADAONSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)c(C)c2)C1 ZINC001008398737 640950711 /nfs/dbraw/zinc/95/07/11/640950711.db2.gz IUTLKUAQBIJHRW-CQSZACIVSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001009604900 640960777 /nfs/dbraw/zinc/96/07/77/640960777.db2.gz UPUUETNBCMFSLL-WMZOPIPTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccoc2C(C)C)C1 ZINC001009679395 640961654 /nfs/dbraw/zinc/96/16/54/640961654.db2.gz CPHMJWDCMLVGQX-CQSZACIVSA-N 1 1 290.407 3.173 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C2(C)CCC(C)CC2)C1 ZINC001009692941 640961741 /nfs/dbraw/zinc/96/17/41/640961741.db2.gz UBQUFLWWRBTLLF-PQUAAJSLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CCCCC2(C)C)C1 ZINC001009768780 640963456 /nfs/dbraw/zinc/96/34/56/640963456.db2.gz PLPLUAOYGBTFPB-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2occc2C(C)C)C1 ZINC001015602289 640982515 /nfs/dbraw/zinc/98/25/15/640982515.db2.gz BPBRWPXAMXDRPC-AWEZNQCLSA-N 1 1 290.407 3.173 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[N@H+](CC(CC)CC)C2)CC1 ZINC001015659926 640984589 /nfs/dbraw/zinc/98/45/89/640984589.db2.gz NVJGXTRDVAOYAK-KRWDZBQOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cccc(C(C)C)c2)C1 ZINC001015943912 640988470 /nfs/dbraw/zinc/98/84/70/640988470.db2.gz WMMFQZHZRQTGAB-KRWDZBQOSA-N 1 1 286.419 3.190 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001015903183 640988482 /nfs/dbraw/zinc/98/84/82/640988482.db2.gz VSENKGCSGNBFQJ-BRWVUGGUSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)c2cccc(C3CCCC3)c2)C1 ZINC001015995102 640989951 /nfs/dbraw/zinc/98/99/51/640989951.db2.gz OIYJJAHUTWSZRM-GOSISDBHSA-N 1 1 298.430 3.334 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC001016424748 640997730 /nfs/dbraw/zinc/99/77/30/640997730.db2.gz NNAXCYDXEFLNOB-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CCCCC1 ZINC001017880706 641017421 /nfs/dbraw/zinc/01/74/21/641017421.db2.gz KCLOHKSFYGYHPR-IYBDPMFKSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@]1(C)CC ZINC001018130397 641019338 /nfs/dbraw/zinc/01/93/38/641019338.db2.gz RYOBIGWBTGNFDZ-DFGXFYAUSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)C1CC1 ZINC001018321018 641022019 /nfs/dbraw/zinc/02/20/19/641022019.db2.gz VEFJQMZTTJZTTH-BHYGNILZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001156011591 805639074 /nfs/dbraw/zinc/63/90/74/805639074.db2.gz MSIQKRWAKWJTHN-BRWVUGGUSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)CC(C)C ZINC001156041384 805644580 /nfs/dbraw/zinc/64/45/80/805644580.db2.gz MEWNXDGXLYGJEG-JKSUJKDBSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)c1ccccc1 ZINC001156428206 805690755 /nfs/dbraw/zinc/69/07/55/805690755.db2.gz AXEBKCWMPJENLY-CVEARBPZSA-N 1 1 288.435 3.193 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)/C(C)=C\CC ZINC001157661907 805847936 /nfs/dbraw/zinc/84/79/36/805847936.db2.gz OMBFFGZJYCYOGQ-JEMSNHSXSA-N 1 1 298.858 3.408 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)/C(C)=C\CC ZINC001157661907 805847945 /nfs/dbraw/zinc/84/79/45/805847945.db2.gz OMBFFGZJYCYOGQ-JEMSNHSXSA-N 1 1 298.858 3.408 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@H](C)C(C)C ZINC001157668863 805850584 /nfs/dbraw/zinc/85/05/84/805850584.db2.gz OEXVZBHBAWWJKT-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC1CC1 ZINC001157706365 805855421 /nfs/dbraw/zinc/85/54/21/805855421.db2.gz ZKDVSAQBAGBELG-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)C1CC1 ZINC001157761878 805865540 /nfs/dbraw/zinc/86/55/40/805865540.db2.gz GMJZIPAUKHBYJF-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)CC(=C)C ZINC001158363220 805944491 /nfs/dbraw/zinc/94/44/91/805944491.db2.gz BSWXVKVEPBZUAO-HZPDHXFCSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCC ZINC001158377783 805947574 /nfs/dbraw/zinc/94/75/74/805947574.db2.gz PAOVKCJYZHOMAD-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCCC1CC1 ZINC001158385740 805948570 /nfs/dbraw/zinc/94/85/70/805948570.db2.gz OBRCCMDUHHABPL-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCF ZINC001158419525 805953930 /nfs/dbraw/zinc/95/39/30/805953930.db2.gz TVEDOSOAHXPRJN-OAHLLOKOSA-N 1 1 284.419 3.015 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+](C)C1CCOCC1 ZINC001252121478 806007150 /nfs/dbraw/zinc/00/71/50/806007150.db2.gz GPLKWFFMKXMPHX-INIZCTEOSA-N 1 1 271.445 3.209 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CC[C@@](C)(O)[C@H](C)C1 ZINC001252122965 806008800 /nfs/dbraw/zinc/00/88/00/806008800.db2.gz AXLSYBFJHUGQJK-IXDOHACOSA-N 1 1 285.472 3.191 20 30 CGEDMO CCCCCCCC[C@@H](O)C[NH+]1CCN(C(C)C)CC1 ZINC001252122605 806008894 /nfs/dbraw/zinc/00/88/94/806008894.db2.gz XVJGGRZDWJDJNU-QGZVFWFLSA-N 1 1 284.488 3.124 20 30 CGEDMO C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCCCCC ZINC001158825098 806010159 /nfs/dbraw/zinc/01/01/59/806010159.db2.gz LZVRYTZQCADSIA-QGZVFWFLSA-N 1 1 292.467 3.293 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@@H]2CN(C)C[C@@H]21 ZINC001252130421 806016672 /nfs/dbraw/zinc/01/66/72/806016672.db2.gz PZPMANZQEVDNEI-SQNIBIBYSA-N 1 1 296.499 3.124 20 30 CGEDMO CCCCCCCC[C@H](O)CN1CCC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC001252130421 806016682 /nfs/dbraw/zinc/01/66/82/806016682.db2.gz PZPMANZQEVDNEI-SQNIBIBYSA-N 1 1 296.499 3.124 20 30 CGEDMO CCCCCCCC[C@H](O)CN1CCC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC001252130421 806016691 /nfs/dbraw/zinc/01/66/91/806016691.db2.gz PZPMANZQEVDNEI-SQNIBIBYSA-N 1 1 296.499 3.124 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+](C)[C@H]1CCCOC1 ZINC001252132281 806017091 /nfs/dbraw/zinc/01/70/91/806017091.db2.gz DLNMKRWXVGYDHB-JKSUJKDBSA-N 1 1 271.445 3.209 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+]1C[C@H]2[C@H](C1)CCCN2C ZINC001252132300 806017647 /nfs/dbraw/zinc/01/76/47/806017647.db2.gz FBWDZAQGBSEGCZ-BZSNNMDCSA-N 1 1 296.499 3.124 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CC[C@H](C(C)=O)C1 ZINC001252132249 806018979 /nfs/dbraw/zinc/01/89/79/806018979.db2.gz CSHJMORQQZLNFY-HOTGVXAUSA-N 1 1 269.429 3.009 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1C[C@@H]2CCCC(=O)[C@@H]2C1 ZINC001252133453 806019944 /nfs/dbraw/zinc/01/99/44/806019944.db2.gz OTAXNJAFPGCHTA-YESZJQIVSA-N 1 1 295.467 3.399 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)c2ccccc2)CC1 ZINC001159106803 806042716 /nfs/dbraw/zinc/04/27/16/806042716.db2.gz RNOXPBDGNBLDOZ-UHFFFAOYSA-N 1 1 298.430 3.405 20 30 CGEDMO C=C[C@](C)(O)C[N@@H+](C)Cc1cccc2ccccc21 ZINC001252552449 806062769 /nfs/dbraw/zinc/06/27/69/806062769.db2.gz WPBKNXMQYYDCBC-KRWDZBQOSA-N 1 1 255.361 3.209 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCSC[C@@H]1c1ccc(F)cc1 ZINC001252599814 806081898 /nfs/dbraw/zinc/08/18/98/806081898.db2.gz KIRLMTCKSCMFIQ-JKSUJKDBSA-N 1 1 295.423 3.243 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CC[C@H](Sc2ccc(F)cc2)C1 ZINC001252601681 806080459 /nfs/dbraw/zinc/08/04/59/806080459.db2.gz CJXRXQBBUBKORQ-HOCLYGCPSA-N 1 1 295.423 3.319 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CC[C@H](c2ccccc2Cl)C1 ZINC001252599885 806080855 /nfs/dbraw/zinc/08/08/55/806080855.db2.gz NDEVTGLICJIVQO-KBPBESRZSA-N 1 1 279.811 3.456 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CC[C@@H](c2ccccc2Cl)C1 ZINC001252599888 806081219 /nfs/dbraw/zinc/08/12/19/806081219.db2.gz NDEVTGLICJIVQO-ZIAGYGMSSA-N 1 1 279.811 3.456 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](Cc1ccccc1)C1CCC1 ZINC001252604351 806083057 /nfs/dbraw/zinc/08/30/57/806083057.db2.gz QQWDREDCFFSXKF-KRWDZBQOSA-N 1 1 259.393 3.368 20 30 CGEDMO Cc1[nH]c2nc[nH+]c(NCC#Cc3ccccc3)c2c1C ZINC001159373125 806090050 /nfs/dbraw/zinc/09/00/50/806090050.db2.gz KSFCPWJUQGMFAP-UHFFFAOYSA-N 1 1 276.343 3.038 20 30 CGEDMO C=CCCC(=O)NCCC1=CC[N@@H+](C[C@@H](C)CC)CC1 ZINC001159538697 806118028 /nfs/dbraw/zinc/11/80/28/806118028.db2.gz HWMVGYKZBWUMFV-HNNXBMFYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCCCC[N@H+](C)C[C@H](O)c1ccc(F)cc1 ZINC001252849532 806131048 /nfs/dbraw/zinc/13/10/48/806131048.db2.gz JEZQJSJRVYJYRA-HNNXBMFYSA-N 1 1 251.345 3.147 20 30 CGEDMO CCCC[C@H](CC)COC[C@@H](O)C[N@H+](CCC)CCC#N ZINC001253007573 806152637 /nfs/dbraw/zinc/15/26/37/806152637.db2.gz REIZHNAHVVQQEO-IRXDYDNUSA-N 1 1 298.471 3.206 20 30 CGEDMO CCCC[C@H](CC)COC[C@@H](O)C[N@@H+](CCC)CCC#N ZINC001253007573 806152644 /nfs/dbraw/zinc/15/26/44/806152644.db2.gz REIZHNAHVVQQEO-IRXDYDNUSA-N 1 1 298.471 3.206 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)CCC2CCC2)CC1 ZINC001159717577 806160691 /nfs/dbraw/zinc/16/06/91/806160691.db2.gz NPDSDNSGIPTTDV-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[NH+]1CCN(C2CCC2)CC1 ZINC001253226971 806183976 /nfs/dbraw/zinc/18/39/76/806183976.db2.gz DFDQCYLWAZNQPS-GOSISDBHSA-N 1 1 294.483 3.044 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@H](C#N)C1 ZINC001253241680 806191927 /nfs/dbraw/zinc/19/19/27/806191927.db2.gz ZGFMARPJLVHKDN-HZPDHXFCSA-N 1 1 264.413 3.109 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCC[C@H](C#N)C1 ZINC001253241680 806191930 /nfs/dbraw/zinc/19/19/30/806191930.db2.gz ZGFMARPJLVHKDN-HZPDHXFCSA-N 1 1 264.413 3.109 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1C[C@@H]2CCCC(=O)[C@H]2C1 ZINC001253240796 806192246 /nfs/dbraw/zinc/19/22/46/806192246.db2.gz AAEDLCVXYWOYBX-ULQDDVLXSA-N 1 1 293.451 3.175 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+](C)Cc1nccs1 ZINC001253241714 806192534 /nfs/dbraw/zinc/19/25/34/806192534.db2.gz ZYPKEWNAEQXHRU-AWEZNQCLSA-N 1 1 282.453 3.462 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+](C)Cc1nccs1 ZINC001253241714 806192536 /nfs/dbraw/zinc/19/25/36/806192536.db2.gz ZYPKEWNAEQXHRU-AWEZNQCLSA-N 1 1 282.453 3.462 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC001253240828 806192616 /nfs/dbraw/zinc/19/26/16/806192616.db2.gz AQIZWONNRCSGAE-HZPDHXFCSA-N 1 1 264.413 3.109 20 30 CGEDMO Cc1ccc(CC#N)c(N[C@@H]2CCc3ccc(O)cc3C2)[nH+]1 ZINC001159895759 806192833 /nfs/dbraw/zinc/19/28/33/806192833.db2.gz KLZCNAJTXPTVCW-MRXNPFEDSA-N 1 1 293.370 3.131 20 30 CGEDMO CCCCCCCNC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC001253388445 806213878 /nfs/dbraw/zinc/21/38/78/806213878.db2.gz JECTWCTWPDVDPS-INIZCTEOSA-N 1 1 295.471 3.273 20 30 CGEDMO C=CCC(CC=C)C(=O)NCCC1=CC[N@@H+](CC=C)CC1 ZINC001160228500 806237507 /nfs/dbraw/zinc/23/75/07/806237507.db2.gz KWNQYUQTLIIQQQ-UHFFFAOYSA-N 1 1 288.435 3.079 20 30 CGEDMO C=CC(C)(C)CC(=O)NCCC1=CC[N@@H+](CCCF)CC1 ZINC001160242490 806241088 /nfs/dbraw/zinc/24/10/88/806241088.db2.gz UHAYJOZLYKTQLM-UHFFFAOYSA-N 1 1 296.430 3.087 20 30 CGEDMO C=C(C)CCC(=O)NCCC1=CC[N@@H+](C/C=C/Cl)CC1 ZINC001160264167 806245191 /nfs/dbraw/zinc/24/51/91/806245191.db2.gz HHDCCNRZXKUWEE-YCRREMRBSA-N 1 1 296.842 3.234 20 30 CGEDMO Cc1[nH+]c(NC(C)(C)c2ccncc2)ccc1CC#N ZINC001160313165 806257340 /nfs/dbraw/zinc/25/73/40/806257340.db2.gz YBXWDGZTKCXIRO-UHFFFAOYSA-N 1 1 266.348 3.198 20 30 CGEDMO C=C[C@H](O)C[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC001253585669 806265028 /nfs/dbraw/zinc/26/50/28/806265028.db2.gz YJDXQAVOFSEJBG-IBGZPJMESA-N 1 1 281.399 3.278 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1nc(C(C)C)ccc1C#N ZINC001160953050 806326090 /nfs/dbraw/zinc/32/60/90/806326090.db2.gz OMYLCMCSLYDCII-HNNXBMFYSA-N 1 1 284.407 3.139 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1ccc(C(C)C)cn1 ZINC001160953659 806328870 /nfs/dbraw/zinc/32/88/70/806328870.db2.gz GJJFEZXBHDSWEL-HNNXBMFYSA-N 1 1 259.397 3.267 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1CNc1ccc(-c2ccccc2)nn1 ZINC001160952803 806325721 /nfs/dbraw/zinc/32/57/21/806325721.db2.gz BNKBNYLBMYZPSG-INIZCTEOSA-N 1 1 294.402 3.206 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CCNC(=O)C2(CC)CC2)CC1 ZINC001161140335 806352017 /nfs/dbraw/zinc/35/20/17/806352017.db2.gz IWOZRRFDTAWJKO-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO CC1(C)C[C@H](CNc2[nH+]ccc3[nH]cc(C#N)c32)CCO1 ZINC001161428930 806379352 /nfs/dbraw/zinc/37/93/52/806379352.db2.gz OHSYWRFIMUSAIR-LLVKDONJSA-N 1 1 284.363 3.052 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](C2CCc3ccccc3CC2)C1 ZINC001254462345 806411547 /nfs/dbraw/zinc/41/15/47/806411547.db2.gz YUUXHBRAVDQDRD-OAHLLOKOSA-N 1 1 253.389 3.279 20 30 CGEDMO N#C[C@H]1CCC[N@H+](C2CCN(c3ccc(F)cc3)CC2)C1 ZINC001254630197 806464741 /nfs/dbraw/zinc/46/47/41/806464741.db2.gz OOVYEIQVHNUAOU-CQSZACIVSA-N 1 1 287.382 3.030 20 30 CGEDMO COC(=O)c1cccc([C@@H]2CCC[N@H+]2[C@@H]2CC[C@H](C#N)C2)c1 ZINC001254675483 806483256 /nfs/dbraw/zinc/48/32/56/806483256.db2.gz FTFZNQSIMCECTN-XKQJLSEDSA-N 1 1 298.386 3.302 20 30 CGEDMO C[C@H]1CN([C@@H]2CC[C@H](C#N)C2)CC[N@H+]1C1CCCCC1 ZINC001254675125 806483349 /nfs/dbraw/zinc/48/33/49/806483349.db2.gz BZORKIVDCKSLIT-YQQAZPJKSA-N 1 1 275.440 3.017 20 30 CGEDMO C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@@H]1CC2CCN(CC2)C1 ZINC001254859566 806501097 /nfs/dbraw/zinc/50/10/97/806501097.db2.gz FNGPJKGDBAFGBN-UYAOXDASSA-N 1 1 294.442 3.093 20 30 CGEDMO C#CCN([C@@H]1CCc2ccccc21)[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254859566 806501104 /nfs/dbraw/zinc/50/11/04/806501104.db2.gz FNGPJKGDBAFGBN-UYAOXDASSA-N 1 1 294.442 3.093 20 30 CGEDMO CC[C@@](C)(C#N)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255128055 806549746 /nfs/dbraw/zinc/54/97/46/806549746.db2.gz JOTRYFRQADDTSS-OKYOBFRVSA-N 1 1 297.446 3.464 20 30 CGEDMO CC[C@H](CC#N)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255130210 806550729 /nfs/dbraw/zinc/55/07/29/806550729.db2.gz RZNDTNBTNLKFRV-AKHDSKFASA-N 1 1 297.446 3.464 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(-c2ncco2)cc1 ZINC001255165533 806563623 /nfs/dbraw/zinc/56/36/23/806563623.db2.gz YOPAPFIEJPGYDL-AWEZNQCLSA-N 1 1 255.321 3.123 20 30 CGEDMO CC[C@@H](CC#N)[NH+]1CCC(Sc2ccncc2)CC1 ZINC001255172748 806567450 /nfs/dbraw/zinc/56/74/50/806567450.db2.gz FVSYIIROOOHHFV-ZDUSSCGKSA-N 1 1 275.421 3.330 20 30 CGEDMO CC[C@@H](CC#N)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001255176147 806570143 /nfs/dbraw/zinc/57/01/43/806570143.db2.gz XOBWZGYFJNBJIU-SFHVURJKSA-N 1 1 297.446 3.201 20 30 CGEDMO C=CCCCC[N@H+](C)[C@@H]1CCC[C@H](C(=O)OCC)C1 ZINC001255370574 806626931 /nfs/dbraw/zinc/62/69/31/806626931.db2.gz MSDMUZQVCOJHEC-LSDHHAIUSA-N 1 1 267.413 3.396 20 30 CGEDMO CC[C@](C)(C#N)N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255393790 806632852 /nfs/dbraw/zinc/63/28/52/806632852.db2.gz RAKWJJWDWRAJSZ-QZTJIDSGSA-N 1 1 285.435 3.323 20 30 CGEDMO C=CCC[NH2+][C@@H]1CCCN(Cc2ccccc2)CC1 ZINC001255384955 806629677 /nfs/dbraw/zinc/62/96/77/806629677.db2.gz CSAMJLHPYLBSPF-QGZVFWFLSA-N 1 1 258.409 3.207 20 30 CGEDMO C=C(C)C[NH2+][C@H]1CCCN(Cc2ccccc2)CC1 ZINC001255383930 806629755 /nfs/dbraw/zinc/62/97/55/806629755.db2.gz QBAFXUNHJRWGEZ-KRWDZBQOSA-N 1 1 258.409 3.207 20 30 CGEDMO C=CC[N@@H+](C)[C@H]1CCCN(Cc2ccccc2)CC1 ZINC001255404484 806635231 /nfs/dbraw/zinc/63/52/31/806635231.db2.gz JMEOMLKTQKLJEE-KRWDZBQOSA-N 1 1 258.409 3.159 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(Cc2ccccc2)CC1 ZINC001255404484 806635233 /nfs/dbraw/zinc/63/52/33/806635233.db2.gz JMEOMLKTQKLJEE-KRWDZBQOSA-N 1 1 258.409 3.159 20 30 CGEDMO C=CCN(C)[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255404484 806635240 /nfs/dbraw/zinc/63/52/40/806635240.db2.gz JMEOMLKTQKLJEE-KRWDZBQOSA-N 1 1 258.409 3.159 20 30 CGEDMO C=CCN(C)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255404484 806635246 /nfs/dbraw/zinc/63/52/46/806635246.db2.gz JMEOMLKTQKLJEE-KRWDZBQOSA-N 1 1 258.409 3.159 20 30 CGEDMO COC[C@@H](C)[N@@H+](CCC#N)C1CCCCCCC1 ZINC001255575601 806676313 /nfs/dbraw/zinc/67/63/13/806676313.db2.gz BEXZTBYCPJYCCI-CQSZACIVSA-N 1 1 252.402 3.350 20 30 CGEDMO C#CCOc1ccc(C[N@H+](CC)CCCC)cc1OC ZINC000077252909 798927777 /nfs/dbraw/zinc/92/77/77/798927777.db2.gz XNNMDYPIAQEVSO-UHFFFAOYSA-N 1 1 275.392 3.329 20 30 CGEDMO C#CCOc1ccc(C[N@H+](C)C2CCCCC2)cc1 ZINC000077253158 798927906 /nfs/dbraw/zinc/92/79/06/798927906.db2.gz ZZGFXVVBQUNFIZ-UHFFFAOYSA-N 1 1 257.377 3.463 20 30 CGEDMO C[C@H]([NH2+]CC(C)(C)C#N)c1cnc2ccsc2c1 ZINC000122305592 798990685 /nfs/dbraw/zinc/99/06/85/798990685.db2.gz BXCLVWVXLOZLGY-JTQLQIEISA-N 1 1 259.378 3.497 20 30 CGEDMO Cc1nc(C[NH2+][C@H](C)c2ccc(C#N)cc2)c(C)s1 ZINC000135132282 799037066 /nfs/dbraw/zinc/03/70/66/799037066.db2.gz UORLFSIOMOZFMT-SNVBAGLBSA-N 1 1 271.389 3.482 20 30 CGEDMO C#CC[C@@H]([NH2+]CC(=C)Br)c1ccccc1 ZINC000379813531 799353167 /nfs/dbraw/zinc/35/31/67/799353167.db2.gz QLPFZLABFZOFHM-CYBMUJFWSA-N 1 1 264.166 3.249 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1ccsc1Br)C(C)C ZINC000388881698 799456658 /nfs/dbraw/zinc/45/66/58/799456658.db2.gz IRBWTKBHRMOJGA-SNVBAGLBSA-N 1 1 272.211 3.258 20 30 CGEDMO CCCCCCC[C@H](C)[NH2+][C@@H](C)c1ncn(C)n1 ZINC000391946118 799480275 /nfs/dbraw/zinc/48/02/75/799480275.db2.gz WJCVBXKXNAFZCB-STQMWFEESA-N 1 1 252.406 3.215 20 30 CGEDMO C#CCCC1(CCNc2[nH+]ccc3c4c([nH]c32)CCC4)N=N1 ZINC001163384914 806755785 /nfs/dbraw/zinc/75/57/85/806755785.db2.gz DLPJFUNCKMHGGH-UHFFFAOYSA-N 1 1 293.374 3.429 20 30 CGEDMO C[C@@H](C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1)C(C)(C)C ZINC000402229178 799561025 /nfs/dbraw/zinc/56/10/25/799561025.db2.gz XZHQTZJSTYODNK-BBRMVZONSA-N 1 1 274.408 3.206 20 30 CGEDMO CCCCCOc1cc(C[NH2+]CCC#N)ccc1OC ZINC000425971139 799603474 /nfs/dbraw/zinc/60/34/74/799603474.db2.gz MTDGTWVYRVXORJ-UHFFFAOYSA-N 1 1 276.380 3.267 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@H]1CN1CCCC(C)(C)[C@H]1C#N ZINC000450853834 799625757 /nfs/dbraw/zinc/62/57/57/799625757.db2.gz CESPECZBPAMWKL-JKSUJKDBSA-N 1 1 277.456 3.263 20 30 CGEDMO CCCCCCCC[N@H+]1CCSC[C@@H]1CCO ZINC000689277295 799763566 /nfs/dbraw/zinc/76/35/66/799763566.db2.gz AAEIXLWFOXJRLN-AWEZNQCLSA-N 1 1 259.459 3.147 20 30 CGEDMO C=CCCC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000704020813 799934995 /nfs/dbraw/zinc/93/49/95/799934995.db2.gz CTXMUBSOJJPIJA-GOOCMWNKSA-N 1 1 250.430 3.194 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)c1cc(-c2ccccc2)ncn1 ZINC001163606150 806791072 /nfs/dbraw/zinc/79/10/72/806791072.db2.gz UPOUSELBWVUNJH-UHFFFAOYSA-N 1 1 296.418 3.088 20 30 CGEDMO C=CCC1(O)CC[NH+](Cc2cccc(Cl)c2F)CC1 ZINC000717452652 800201587 /nfs/dbraw/zinc/20/15/87/800201587.db2.gz YHNZXKWZNOURMQ-UHFFFAOYSA-N 1 1 283.774 3.382 20 30 CGEDMO C=CCC1(O)CC[NH+](Cc2cc(Cl)ccc2F)CC1 ZINC000717451238 800201808 /nfs/dbraw/zinc/20/18/08/800201808.db2.gz MFYRCGIZXGBLJN-UHFFFAOYSA-N 1 1 283.774 3.382 20 30 CGEDMO C[C@@H](COCc1ccccc1)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000719608952 800245873 /nfs/dbraw/zinc/24/58/73/800245873.db2.gz HXHNCMKJOWNXLL-NVXWUHKLSA-N 1 1 272.392 3.075 20 30 CGEDMO C#CC[C@H]([NH2+][C@@H](C)c1cc2n(n1)CCC2)c1ccccc1 ZINC000840733761 800500014 /nfs/dbraw/zinc/50/00/14/800500014.db2.gz YDGNPKWBYDCYOE-YOEHRIQHSA-N 1 1 279.387 3.245 20 30 CGEDMO CC[C@H](CC#N)[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000846979645 800508282 /nfs/dbraw/zinc/50/82/82/800508282.db2.gz BSSVKMILTNFNJQ-ZWNOBZJWSA-N 1 1 287.190 3.309 20 30 CGEDMO C=CCCSCC[NH2+]Cc1nnc(C(C)C)s1 ZINC000895331596 800581419 /nfs/dbraw/zinc/58/14/19/800581419.db2.gz YZCNZWXKDFUYBN-UHFFFAOYSA-N 1 1 271.455 3.060 20 30 CGEDMO N#CC1CCC(C[N@H+]2CC[C@@H](c3ccco3)C2)CC1 ZINC000929617624 800648425 /nfs/dbraw/zinc/64/84/25/800648425.db2.gz KHWNCWAQYFRXHY-YMAMQOFZSA-N 1 1 258.365 3.399 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1CC/C=C\c1cncc(OC)c1 ZINC000934458962 800677806 /nfs/dbraw/zinc/67/78/06/800677806.db2.gz GPAGVAWEBLCESC-QZDDGCDVSA-N 1 1 258.365 3.144 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C=C2CCC2)[C@@H]1C ZINC000993181952 800694690 /nfs/dbraw/zinc/69/46/90/800694690.db2.gz DAWOHDNQNAPACQ-GOEBONIOSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)C2CCCCCC2)C1 ZINC001023258793 800708093 /nfs/dbraw/zinc/70/80/93/800708093.db2.gz DMARANIRMFPQJZ-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001023486789 800712228 /nfs/dbraw/zinc/71/22/28/800712228.db2.gz UMIHUOYWJIZVGQ-BZUAXINKSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001023714948 800715840 /nfs/dbraw/zinc/71/58/40/800715840.db2.gz YEIZQSQZBYQDAE-BRWVUGGUSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(C)c1 ZINC001024312404 800724852 /nfs/dbraw/zinc/72/48/52/800724852.db2.gz JGHFRYFPOOUWBX-KRWDZBQOSA-N 1 1 286.419 3.155 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC12CC2 ZINC001024503608 800730045 /nfs/dbraw/zinc/73/00/45/800730045.db2.gz ADTOQOJSRANJJK-HOTGVXAUSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001024548612 800730478 /nfs/dbraw/zinc/73/04/78/800730478.db2.gz BEVIMMBVKNGQEI-ARFHVFGLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)co1 ZINC001024611241 800731744 /nfs/dbraw/zinc/73/17/44/800731744.db2.gz AXWSKQUVIPYPSK-OAHLLOKOSA-N 1 1 290.407 3.139 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1sccc1CC ZINC001024814594 800737018 /nfs/dbraw/zinc/73/70/18/800737018.db2.gz UFKZJPHXCPZCLK-AWEZNQCLSA-N 1 1 292.448 3.081 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)C=C ZINC001025254616 800752324 /nfs/dbraw/zinc/75/23/24/800752324.db2.gz MCFZKFATJUYFSI-CVEARBPZSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)CCC2CCCC2)C1 ZINC001027278509 800787205 /nfs/dbraw/zinc/78/72/05/800787205.db2.gz CMAIRLKPHICQEK-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C2C(C)(C)C2(C)C)C1 ZINC001027353884 800791999 /nfs/dbraw/zinc/79/19/99/800791999.db2.gz UQWGBJLPMCBZEM-AWEZNQCLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001027487304 800798475 /nfs/dbraw/zinc/79/84/75/800798475.db2.gz QKQFLHMBHILORM-BZUAXINKSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)C2CC2)C1 ZINC001027538991 800801211 /nfs/dbraw/zinc/80/12/11/800801211.db2.gz JIFLNVKYYWCCAQ-CQSZACIVSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)C2CC2)C1 ZINC001027538991 800801220 /nfs/dbraw/zinc/80/12/20/800801220.db2.gz JIFLNVKYYWCCAQ-CQSZACIVSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[C@H]([N@@H+](C)CC3CC3)C2)CC1 ZINC001027558625 800803536 /nfs/dbraw/zinc/80/35/36/800803536.db2.gz DDXJDQXRPMAKCM-KRWDZBQOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)CC2CCCC2)C1 ZINC001027602865 800805019 /nfs/dbraw/zinc/80/50/19/800805019.db2.gz GMUFBBVBNJPREX-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)C2CCCC2)C1 ZINC001027647011 800808221 /nfs/dbraw/zinc/80/82/21/800808221.db2.gz KNUBDQZWLHAZPA-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccoc1CC ZINC001027856493 800824189 /nfs/dbraw/zinc/82/41/89/800824189.db2.gz OPYNOJLOEZGFJR-AWEZNQCLSA-N 1 1 290.407 3.002 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC=CCCC1 ZINC001027963482 800826153 /nfs/dbraw/zinc/82/61/53/800826153.db2.gz LVBAMORWUCMGLE-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=C1CCC(C(=O)NC[C@H]2CCC[N@@H+]2C[C@H](F)CC)CC1 ZINC001028116992 800832171 /nfs/dbraw/zinc/83/21/71/800832171.db2.gz LYRUNLCDALSHAM-HZPDHXFCSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC001028296930 800839386 /nfs/dbraw/zinc/83/93/86/800839386.db2.gz DIWQNRPUKHKVNI-QGZVFWFLSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H]1CNC(=O)C12CCC(CC1)CC2 ZINC001028330361 800842234 /nfs/dbraw/zinc/84/22/34/800842234.db2.gz GHINCDABZYVCQN-PQUAAJSLSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)c1sccc1CC ZINC001028332175 800842806 /nfs/dbraw/zinc/84/28/06/800842806.db2.gz OXXVZVWBQIFFHP-AWEZNQCLSA-N 1 1 292.448 3.081 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)c2csc(Cl)c2)C1 ZINC001028846881 800855007 /nfs/dbraw/zinc/85/50/07/800855007.db2.gz UQFFREFBEFHVBC-NSHDSACASA-N 1 1 298.839 3.029 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001028941493 800856666 /nfs/dbraw/zinc/85/66/66/800856666.db2.gz JICPDQUFWRCMDG-ULQDDVLXSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](CNC(=O)c2ccc(Cl)s2)C1 ZINC001028968668 800857002 /nfs/dbraw/zinc/85/70/02/800857002.db2.gz XKBLXROWIDMYOU-LLVKDONJSA-N 1 1 298.839 3.029 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](CNC(=O)c2ccc(C3CC3)cc2)C1 ZINC001028999641 800857445 /nfs/dbraw/zinc/85/74/45/800857445.db2.gz PZZZQEGPCWHWQD-OAHLLOKOSA-N 1 1 298.430 3.192 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC=C(C)C ZINC001029454314 800868746 /nfs/dbraw/zinc/86/87/46/800868746.db2.gz YLKVLNIEMCZUQV-SOLBZPMBSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C1CC(C)(C(=O)NC2C[NH+](CCC3=CCCCC3)C2)C1 ZINC001030924528 800901266 /nfs/dbraw/zinc/90/12/66/800901266.db2.gz RVYOVRBCPYYVCZ-UHFFFAOYSA-N 1 1 288.435 3.034 20 30 CGEDMO C=C1CC(C)(C(=O)NC2C[NH+]([C@@H](C)c3ccccc3C)C2)C1 ZINC001030916949 800901829 /nfs/dbraw/zinc/90/18/29/800901829.db2.gz QVOXZCOPQPSAPW-HNNXBMFYSA-N 1 1 298.430 3.213 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)C2CCCCCC2)C1 ZINC001032949202 800946532 /nfs/dbraw/zinc/94/65/32/800946532.db2.gz YBYMBMAFNMKQQD-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C2C(C)(C)C2(C)C)C1 ZINC001032986522 800947393 /nfs/dbraw/zinc/94/73/93/800947393.db2.gz IJYSIYGWZQQZQI-AWEZNQCLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)C2CCCC2)C1 ZINC001033150735 800953925 /nfs/dbraw/zinc/95/39/25/800953925.db2.gz GYOUTWSYMFIQCX-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cscc2Cl)C1 ZINC001033174896 800954796 /nfs/dbraw/zinc/95/47/96/800954796.db2.gz ZLCXHLZSPRVXMT-LLVKDONJSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC=CCCC2)C1 ZINC001033185714 800955370 /nfs/dbraw/zinc/95/53/70/800955370.db2.gz UJTAKWZIUVQSDR-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2csc(Cl)c2)C1 ZINC001033472106 800965731 /nfs/dbraw/zinc/96/57/31/800965731.db2.gz SDSRCKQZDJXXBK-LBPRGKRZSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)C2CC(C(C)(C)C)C2)C1 ZINC001033703649 800977020 /nfs/dbraw/zinc/97/70/20/800977020.db2.gz CZXJTESVFSBBPT-UYSNPLJNSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCC2(C)C)C1 ZINC001033927824 800988479 /nfs/dbraw/zinc/98/84/79/800988479.db2.gz QNRUECBSFOTAKK-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)c2ccoc2C)C1 ZINC001034091271 801004170 /nfs/dbraw/zinc/00/41/70/801004170.db2.gz OQGDIHCLWHQKPG-HNNXBMFYSA-N 1 1 290.407 3.139 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)c2cocc2C)C1 ZINC001034356130 801019725 /nfs/dbraw/zinc/01/97/25/801019725.db2.gz NSAQUUIIBMWHKO-OAHLLOKOSA-N 1 1 290.407 3.139 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001034351554 801020407 /nfs/dbraw/zinc/02/04/07/801020407.db2.gz JWXUSRCMAGZDKY-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCC(C)C)C1 ZINC001036789881 801090395 /nfs/dbraw/zinc/09/03/95/801090395.db2.gz ZBHZHGYEZKERHZ-HZPDHXFCSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C3(C)CCC3)CC[C@@H]21 ZINC001036792607 801090898 /nfs/dbraw/zinc/09/08/98/801090898.db2.gz RSMWPUYNWFKAFX-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C)cc3C)CC[C@@H]21 ZINC001036884939 801093190 /nfs/dbraw/zinc/09/31/90/801093190.db2.gz CLYXJGPHCKGMIM-AEFFLSMTSA-N 1 1 298.430 3.026 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C2CCC2)cc1 ZINC001038316329 801124970 /nfs/dbraw/zinc/12/49/70/801124970.db2.gz RRJXAHKHQXLMQD-SFHVURJKSA-N 1 1 298.430 3.334 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1CCC ZINC001038500039 801126604 /nfs/dbraw/zinc/12/66/04/801126604.db2.gz COFVIKJYRWRYQD-INIZCTEOSA-N 1 1 286.419 3.019 20 30 CGEDMO C=C1CCC(C(=O)NC[C@H]2CC[N@H+]2CC2CCCC2)CC1 ZINC001038660988 801130926 /nfs/dbraw/zinc/13/09/26/801130926.db2.gz JHPGRJNFWDKNPU-QGZVFWFLSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(C2CCC2)c1 ZINC001038914937 801136100 /nfs/dbraw/zinc/13/61/00/801136100.db2.gz SLOMVPCOVKIRID-GOSISDBHSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)c1ccccc1Cl ZINC001038945645 801137213 /nfs/dbraw/zinc/13/72/13/801137213.db2.gz TYEZACODMZLQDN-ZDUSSCGKSA-N 1 1 292.810 3.110 20 30 CGEDMO C[C@@H](Cc1ccccn1)[N@H+](CCC#N)Cc1ccccc1 ZINC001256410385 806888012 /nfs/dbraw/zinc/88/80/12/806888012.db2.gz USBRRLAQKOLPKY-INIZCTEOSA-N 1 1 279.387 3.428 20 30 CGEDMO C[C@@H](Cc1ccccn1)[N@@H+](CCC#N)Cc1ccccc1 ZINC001256410385 806888021 /nfs/dbraw/zinc/88/80/21/806888021.db2.gz USBRRLAQKOLPKY-INIZCTEOSA-N 1 1 279.387 3.428 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C(CC)CC)C1 ZINC001039193761 801153743 /nfs/dbraw/zinc/15/37/43/801153743.db2.gz QDHILGQBECJVJV-SJORKVTESA-N 1 1 292.467 3.312 20 30 CGEDMO C[C@@H](Cc1ccccn1)[N@@H+](CCC#N)C1CCCC1 ZINC001256413790 806888494 /nfs/dbraw/zinc/88/84/94/806888494.db2.gz BWNMYRNSQZKIEE-AWEZNQCLSA-N 1 1 257.381 3.171 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)C1CC1 ZINC001039475086 801162879 /nfs/dbraw/zinc/16/28/79/801162879.db2.gz CYAHGTLAUPIPSF-OIISXLGYSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCC ZINC001039896647 801168577 /nfs/dbraw/zinc/16/85/77/801168577.db2.gz NZBDBBSUJVOPIV-SOLBZPMBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C)C(C)C)C2)C1 ZINC001040424972 801176533 /nfs/dbraw/zinc/17/65/33/801176533.db2.gz OCZOBYBIWNUCIP-AEFFLSMTSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)CC3CCCC3)C[C@@H]21 ZINC001041915418 801197133 /nfs/dbraw/zinc/19/71/33/801197133.db2.gz HHVRZPWCKMKHOW-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(C)c3)C[C@@H]21 ZINC001041912292 801197185 /nfs/dbraw/zinc/19/71/85/801197185.db2.gz JIJJIFFBXIQLQN-AEFFLSMTSA-N 1 1 298.430 3.108 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)C(CC)CC)C[C@H]21 ZINC001041949397 801198660 /nfs/dbraw/zinc/19/86/60/801198660.db2.gz IHNDZPZINBHKAN-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)CCC3CCC3)C[C@@H]21 ZINC001041999375 801198860 /nfs/dbraw/zinc/19/88/60/801198860.db2.gz GCZXOHHORHOHCY-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)CC3(C)CC3)C[C@H]21 ZINC001042160042 801201793 /nfs/dbraw/zinc/20/17/93/801201793.db2.gz KGWAYAIOXDARQR-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)CC3(C)CC3)C[C@@H]21 ZINC001042160039 801202557 /nfs/dbraw/zinc/20/25/57/801202557.db2.gz KGWAYAIOXDARQR-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C)cc3)C[C@@H]21 ZINC001042333463 801204518 /nfs/dbraw/zinc/20/45/18/801204518.db2.gz AXZRILGYKZSQET-AEFFLSMTSA-N 1 1 298.430 3.108 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3(CC)CCCC3)C[C@@H]21 ZINC001042292794 801204543 /nfs/dbraw/zinc/20/45/43/801204543.db2.gz XLMSIHFUCQZOPG-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C1CCCC1)C2 ZINC001045910304 801291917 /nfs/dbraw/zinc/29/19/17/801291917.db2.gz SWUIXFOGGYJDLP-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC1(C)CC1)C2 ZINC001045953065 801295105 /nfs/dbraw/zinc/29/51/05/801295105.db2.gz UVOLBFXDOUQNFW-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCCC[C@]2(CC[N@H+](CCC)C2)C1 ZINC001045958203 801295434 /nfs/dbraw/zinc/29/54/34/801295434.db2.gz MIWKZJCBNCLDSI-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)C2CCC3(CC3)CC2)C1 ZINC001046489375 801312046 /nfs/dbraw/zinc/31/20/46/801312046.db2.gz AGRWVDUNXDTJQM-QGZVFWFLSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)C2CC3(CCC3)C2)C1 ZINC001046554119 801313631 /nfs/dbraw/zinc/31/36/31/801313631.db2.gz MBZHMFZFMCQHFQ-KRWDZBQOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C1CCC(C(=O)N[C@@]2(C)CC[N@H+](CC=C(C)C)C2)CC1 ZINC001046594347 801316474 /nfs/dbraw/zinc/31/64/74/801316474.db2.gz GTTGXVNLGUTHAY-SFHVURJKSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(Cl)c(C)c2)C1 ZINC001046587557 801317544 /nfs/dbraw/zinc/31/75/44/801317544.db2.gz DYZXPRIYCGPETN-MRXNPFEDSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C1CCC(C(=O)N[C@@]2(C)CC[N@H+](CCCC)C2)CC1 ZINC001046594244 801317607 /nfs/dbraw/zinc/31/76/07/801317607.db2.gz FRFJCMIYALLJFP-KRWDZBQOSA-N 1 1 278.440 3.114 20 30 CGEDMO CCOC1CCC([N@@H+](C)Cc2cccc(C#N)c2)CC1 ZINC001256446835 806901274 /nfs/dbraw/zinc/90/12/74/806901274.db2.gz HRNBYAISPVVIOG-UHFFFAOYSA-N 1 1 272.392 3.338 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001046860974 801329788 /nfs/dbraw/zinc/32/97/88/801329788.db2.gz RABGJSXEBVFFKX-QAPCUYQASA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001046863845 801331542 /nfs/dbraw/zinc/33/15/42/801331542.db2.gz JDOYRHBXNGRTTD-JTTJXQCZSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cccc(C)c1)C2 ZINC001048498256 801348457 /nfs/dbraw/zinc/34/84/57/801348457.db2.gz CINYUGJXFFMLDF-VBUUOAMHSA-N 1 1 298.430 3.154 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCC1CC1 ZINC001049388394 801368626 /nfs/dbraw/zinc/36/86/26/801368626.db2.gz VKXYNUCKZJAMBG-IAGOWNOFSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC1(C)CCCC1 ZINC001049462669 801373767 /nfs/dbraw/zinc/37/37/67/801373767.db2.gz VVZJCJJAADLOHI-HOTGVXAUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1(C)CCCC1 ZINC001049627626 801377258 /nfs/dbraw/zinc/37/72/58/801377258.db2.gz TVRLDWRGVQVTRV-CVEARBPZSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC(C)C ZINC001049636784 801381018 /nfs/dbraw/zinc/38/10/18/801381018.db2.gz DPOSSMNQLSBGRL-CVEARBPZSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H](F)CC ZINC001049643046 801381058 /nfs/dbraw/zinc/38/10/58/801381058.db2.gz CDWYHVCIAWVWAG-RRFJBIMHSA-N 1 1 296.430 3.012 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)c1ccccc1 ZINC001049849266 801389141 /nfs/dbraw/zinc/38/91/41/801389141.db2.gz RTUKKKSPCSGMNL-RYQLBKOJSA-N 1 1 298.430 3.041 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)c3ccccc3)[C@@H]2C1 ZINC001049958202 801395193 /nfs/dbraw/zinc/39/51/93/801395193.db2.gz FVUPCVRRHUTRBL-ZWKOTPCHSA-N 1 1 298.430 3.189 20 30 CGEDMO CC[C@](C)(C#N)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256529267 806910679 /nfs/dbraw/zinc/91/06/79/806910679.db2.gz AWCLIHLKIPEFKC-RYQLBKOJSA-N 1 1 285.435 3.321 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C)o2)CC1 ZINC001052183561 801424859 /nfs/dbraw/zinc/42/48/59/801424859.db2.gz FCMTYSMIBIYKLE-OAHLLOKOSA-N 1 1 290.407 3.139 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2oc(C)cc2C)CC1 ZINC001052289475 801427895 /nfs/dbraw/zinc/42/78/95/801427895.db2.gz ZZINOYLGPVOQQT-HNNXBMFYSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C(F)=C2CCCC2)CC1 ZINC001052304163 801430414 /nfs/dbraw/zinc/43/04/14/801430414.db2.gz HOYMRBCFUCTLEK-HNNXBMFYSA-N 1 1 294.414 3.331 20 30 CGEDMO C[C@@H]1C[C@@H](NC2=CC(=O)CCC2)CC[N@H+]1Cc1ccccc1 ZINC001256524006 806909696 /nfs/dbraw/zinc/90/96/96/806909696.db2.gz RUUUQVNLTPLLDU-QAPCUYQASA-N 1 1 298.430 3.266 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)C2CCC(F)CC2)CC1 ZINC001052683907 801447289 /nfs/dbraw/zinc/44/72/89/801447289.db2.gz NWSDIZIZLMVGQN-GPANFISMSA-N 1 1 296.430 3.062 20 30 CGEDMO C=Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC(=C)C)CC2)cc1 ZINC001052736810 801449082 /nfs/dbraw/zinc/44/90/82/801449082.db2.gz ZLQXVOUYNKNUTF-SFHVURJKSA-N 1 1 298.430 3.490 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C)c2C)CC1 ZINC001052907386 801455580 /nfs/dbraw/zinc/45/55/80/801455580.db2.gz PMBVEWXBCOENKJ-INIZCTEOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(F)s2)CC1 ZINC001052968674 801459400 /nfs/dbraw/zinc/45/94/00/801459400.db2.gz ARPMDCLFJGTYSY-LBPRGKRZSA-N 1 1 296.411 3.048 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(C)=O)C1 ZINC001053054117 801464257 /nfs/dbraw/zinc/46/42/57/801464257.db2.gz IELNIVZSKMGLSK-DLBZAZTESA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCC)C1 ZINC001053063763 801465218 /nfs/dbraw/zinc/46/52/18/801465218.db2.gz QPWAUAPEDOJTLT-IRXDYDNUSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC)C2 ZINC001054072993 801470197 /nfs/dbraw/zinc/47/01/97/801470197.db2.gz IENRKYKYYTUCBG-QGZVFWFLSA-N 1 1 278.440 3.067 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)CC)C2 ZINC001054089980 801473305 /nfs/dbraw/zinc/47/33/05/801473305.db2.gz RUGXWEZKGNLIMT-BBRMVZONSA-N 1 1 298.858 3.100 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)C(C)(C)C)C2 ZINC001054152689 801475426 /nfs/dbraw/zinc/47/54/26/801475426.db2.gz FYDRACZZYGDNSD-CRAIPNDOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CC[C@H](C)C3)cc2C1 ZINC001054284926 801485196 /nfs/dbraw/zinc/48/51/96/801485196.db2.gz LGFDXKLZGPVCMQ-HOCLYGCPSA-N 1 1 298.430 3.241 20 30 CGEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CC[C@H](C)C3)cc2C1 ZINC001054284926 801485200 /nfs/dbraw/zinc/48/52/00/801485200.db2.gz LGFDXKLZGPVCMQ-HOCLYGCPSA-N 1 1 298.430 3.241 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)C=C2CCC2)CC[C@H]1C ZINC001071423331 801536510 /nfs/dbraw/zinc/53/65/10/801536510.db2.gz AXYUVWALQPWEHP-GDBMZVCRSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2cc(C)cs2)CC[C@@H]1C ZINC001071476381 801538558 /nfs/dbraw/zinc/53/85/58/801538558.db2.gz FZUYRXMXXFMNSI-UONOGXRCSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)C23CCC(CC2)C3)CC[C@H]1C ZINC001071612836 801542711 /nfs/dbraw/zinc/54/27/11/801542711.db2.gz NZZYVFGQUXQBSH-JBCIKUTRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2cc(C)sc2C)CC[C@@H]1C ZINC001071660214 801544560 /nfs/dbraw/zinc/54/45/60/801544560.db2.gz RTNCIWZOYARJIW-SMDDNHRTSA-N 1 1 292.448 3.134 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C(C)(C)C2CCC2)CC[C@@H]1C ZINC001071708316 801545817 /nfs/dbraw/zinc/54/58/17/801545817.db2.gz DDXPYPXHIZFXPI-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cocc2C)CC[C@@H]1C ZINC001071743748 801550094 /nfs/dbraw/zinc/55/00/94/801550094.db2.gz DOOORTRQWVPWKA-GJZGRUSLSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C2CC3(CCC3)C2)CC[C@@H]1C ZINC001071743269 801550511 /nfs/dbraw/zinc/55/05/11/801550511.db2.gz YMJSTTIPVVSXTQ-HOCLYGCPSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC3CC3)C2)CC1 ZINC001071794578 801551137 /nfs/dbraw/zinc/55/11/37/801551137.db2.gz CWSODKWJOURLKP-YOEHRIQHSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)CC[C@@H]1C ZINC001072006129 801558836 /nfs/dbraw/zinc/55/88/36/801558836.db2.gz QWLRQNRGDFJMJW-QAETUUGQSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@H+]1C[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)CC[C@H]1C ZINC001072006130 801559120 /nfs/dbraw/zinc/55/91/20/801559120.db2.gz QWLRQNRGDFJMJW-QBPKDAKJSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@H+]1CCC2(CN(C(=O)CCC3CCCC3)C2)C1 ZINC001072418894 801571977 /nfs/dbraw/zinc/57/19/77/801571977.db2.gz FKGIXJQJWACKDB-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC)CC2)CC1 ZINC001075443148 801601702 /nfs/dbraw/zinc/60/17/02/801601702.db2.gz IKPCMRDIWBJLEW-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@](C)(C=C)CC)C[C@@H]21 ZINC001085024344 801675467 /nfs/dbraw/zinc/67/54/67/801675467.db2.gz NYCNLMWHDNJXTF-RYRKJORJSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC2(CC2)C1 ZINC001085594576 801696294 /nfs/dbraw/zinc/69/62/94/801696294.db2.gz JYUNFELJRFCQGS-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1coc2c1cccc2C ZINC001085643382 801697375 /nfs/dbraw/zinc/69/73/75/801697375.db2.gz NDEWSFZYVGIEQG-CQSZACIVSA-N 1 1 298.386 3.074 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1coc2c1cccc2C ZINC001085643382 801697378 /nfs/dbraw/zinc/69/73/78/801697378.db2.gz NDEWSFZYVGIEQG-CQSZACIVSA-N 1 1 298.386 3.074 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(CC)s1 ZINC001085706336 801701046 /nfs/dbraw/zinc/70/10/46/801701046.db2.gz NHSVDWGFVDWWLZ-CYBMUJFWSA-N 1 1 292.448 3.033 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(CC)s1 ZINC001085706336 801701050 /nfs/dbraw/zinc/70/10/50/801701050.db2.gz NHSVDWGFVDWWLZ-CYBMUJFWSA-N 1 1 292.448 3.033 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC12CCCC2 ZINC001085909439 801709042 /nfs/dbraw/zinc/70/90/42/801709042.db2.gz JQVXPGLDOHCECQ-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)c1ccccc1 ZINC001087266909 801745684 /nfs/dbraw/zinc/74/56/84/801745684.db2.gz RWSQPWWRTTVBDC-IXDOHACOSA-N 1 1 298.430 3.091 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2CCC3(CC3)CC2)[C@H]1CC ZINC001087660461 801760434 /nfs/dbraw/zinc/76/04/34/801760434.db2.gz LGFNVCUWHVOOCW-JKSUJKDBSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C2CCC2)[C@H]1CC ZINC001087675374 801762676 /nfs/dbraw/zinc/76/26/76/801762676.db2.gz IXIYNWLCUVYXKZ-JKSUJKDBSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2scc(C)c2Cl)[C@H]1C ZINC001088587803 801801936 /nfs/dbraw/zinc/80/19/36/801801936.db2.gz ATOJGEDFJXERIV-MNOVXSKESA-N 1 1 298.839 3.089 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C23CCC(CC2)C3)[C@H]1C ZINC001088668139 801804983 /nfs/dbraw/zinc/80/49/83/801804983.db2.gz DPQYALFPVIJTFJ-CTMQZQKCSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2CCC(F)CC2)[C@H]1C ZINC001088838458 801811967 /nfs/dbraw/zinc/81/19/67/801811967.db2.gz KKVGJWYIGCFUPF-LMPOIIKSSA-N 1 1 296.430 3.060 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC2CC2)CC(C)(C)C1 ZINC001089298636 801830634 /nfs/dbraw/zinc/83/06/34/801830634.db2.gz LVNIPMCBAJBDIV-CQSZACIVSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccco2)CC(C)(C)C1 ZINC001089301201 801832018 /nfs/dbraw/zinc/83/20/18/801832018.db2.gz PPZKWZJFSFJBSL-AWEZNQCLSA-N 1 1 290.407 3.076 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H]1CCc2c(cccc2OC)C1 ZINC001256654647 806941203 /nfs/dbraw/zinc/94/12/03/806941203.db2.gz QDWTXIPOCZZVGL-OAHLLOKOSA-N 1 1 259.393 3.451 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C1CCCC1)C2 ZINC001095546715 801884807 /nfs/dbraw/zinc/88/48/07/801884807.db2.gz HRDAVPCTLQFAIF-PMPSAXMXSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC=CCC1)C2 ZINC001097653691 801901524 /nfs/dbraw/zinc/90/15/24/801901524.db2.gz OJAGESIOIJPZJT-VQHPVUNQSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC(C)(C)C1)C2 ZINC001097807183 801904842 /nfs/dbraw/zinc/90/48/42/801904842.db2.gz ILDVACJXMFOUFI-FPCVCCKLSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC ZINC001098862279 801918527 /nfs/dbraw/zinc/91/85/27/801918527.db2.gz ODSSUXHLGCPREN-CYBMUJFWSA-N 1 1 286.847 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC ZINC001098862279 801918531 /nfs/dbraw/zinc/91/85/31/801918531.db2.gz ODSSUXHLGCPREN-CYBMUJFWSA-N 1 1 286.847 3.146 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(CC)CC ZINC001098921918 801921547 /nfs/dbraw/zinc/92/15/47/801921547.db2.gz LTAZMZZHIXXKBI-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCCC ZINC001098966541 801922006 /nfs/dbraw/zinc/92/20/06/801922006.db2.gz QENYQFOWYIGZFD-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(F)=C(C)C ZINC001099016293 801926786 /nfs/dbraw/zinc/92/67/86/801926786.db2.gz JQRJMMVBFVWYBE-AWEZNQCLSA-N 1 1 296.430 3.433 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H](C=C)CC ZINC001099188429 801932067 /nfs/dbraw/zinc/93/20/67/801932067.db2.gz FZAPAVVFQWQKHJ-HZPDHXFCSA-N 1 1 292.467 3.382 20 30 CGEDMO CC#CCCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCC ZINC001099188941 801932730 /nfs/dbraw/zinc/93/27/30/801932730.db2.gz LUXSDXDITBTURM-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)CC[C@H](C)CC)C[C@]2(C)C1 ZINC001101403611 801977224 /nfs/dbraw/zinc/97/72/24/801977224.db2.gz NLLHLMXIEXWSCZ-NUJGCVRESA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)CCC(C)C)[C@H](C)C1 ZINC001101711298 801988621 /nfs/dbraw/zinc/98/86/21/801988621.db2.gz VOJVABQEHHLWKX-HZPDHXFCSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)C[C@H](C)CCC)[C@H](C)C1 ZINC001101801357 801990666 /nfs/dbraw/zinc/99/06/66/801990666.db2.gz AWPKMERIYWNVPF-BZUAXINKSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](CNC(=O)C[C@@H](C)CCC)[C@H](C)C1 ZINC001101802674 801992255 /nfs/dbraw/zinc/99/22/55/801992255.db2.gz FCWSJVNUTLNHAC-ARFHVFGLSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](CNC(=O)CC(C)(C)C=C)[C@H](C)C1 ZINC001102003587 801997603 /nfs/dbraw/zinc/99/76/03/801997603.db2.gz GJIZSKDZKLVIKV-HZPDHXFCSA-N 1 1 292.467 3.239 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1C ZINC001102010995 801998275 /nfs/dbraw/zinc/99/82/75/801998275.db2.gz YIBKCZXHTAHHSJ-NVXWUHKLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C(C)(C)C=C)[C@H](C)C1 ZINC001102230169 801999257 /nfs/dbraw/zinc/99/92/57/801999257.db2.gz VPOIULOKDPNGAV-OWCLPIDISA-N 1 1 292.467 3.237 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](CNC(=O)C2(C)CCCCC2)[C@H](C)C1 ZINC001102318580 802003463 /nfs/dbraw/zinc/00/34/63/802003463.db2.gz ZRLSQWAUMNDKIR-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](CNC(=O)C(C)(C)C2CC2)[C@H](C)C1 ZINC001102264930 802005329 /nfs/dbraw/zinc/00/53/29/802005329.db2.gz HCZFTKAGHUHSBM-HUUCEWRRSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@H](CCC)C(C)C)[C@H](C)C1 ZINC001102418374 802005778 /nfs/dbraw/zinc/00/57/78/802005778.db2.gz TWTVDQWZIAMYAS-BRWVUGGUSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](CNC(=O)CC[C@@H](C)CC)[C@H](C)C1 ZINC001102478197 802008314 /nfs/dbraw/zinc/00/83/14/802008314.db2.gz IKCKGFFSLXEGQZ-ARFHVFGLSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)CC(C)C)[C@H](C)C1 ZINC001102485970 802010278 /nfs/dbraw/zinc/01/02/78/802010278.db2.gz LGLORUKROBISJX-GVDBMIGSSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](CNC(=O)C[C@@H](CC)C(C)C)[C@H](C)C1 ZINC001102520488 802010469 /nfs/dbraw/zinc/01/04/69/802010469.db2.gz MOWRPLJZLQYIIB-BRWVUGGUSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](CNC(=O)C(C)(CC)CC)[C@H](C)C1 ZINC001102588675 802012545 /nfs/dbraw/zinc/01/25/45/802012545.db2.gz JCSDXDOGOZXCQJ-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)/C(C)=C\CC)C1 ZINC001102733929 802019163 /nfs/dbraw/zinc/01/91/63/802019163.db2.gz CCTZUGBPHBQCQR-OLWKXOERSA-N 1 1 298.858 3.169 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)/C(C)=C/C)C1 ZINC001102838421 802022765 /nfs/dbraw/zinc/02/27/65/802022765.db2.gz DGJSWMCZYAFTJU-YPNCQEDOSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(C)CC2)C1 ZINC001103013932 802024981 /nfs/dbraw/zinc/02/49/81/802024981.db2.gz SUZHRDVCPXXYBU-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@](C)(F)CCCC)C1 ZINC001103161324 802026655 /nfs/dbraw/zinc/02/66/55/802026655.db2.gz YJXGTMDBFAGOHK-INMHGKMJSA-N 1 1 298.446 3.165 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)C2CCC2)C1 ZINC001103135678 802027461 /nfs/dbraw/zinc/02/74/61/802027461.db2.gz VSSJNSZZLYGDPA-HLLBOEOZSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCC)CC2 ZINC001107327003 802086262 /nfs/dbraw/zinc/08/62/62/802086262.db2.gz NOOIJUPGUVWSMR-NVXWUHKLSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC/C=C/CC ZINC001109054816 802106997 /nfs/dbraw/zinc/10/69/97/802106997.db2.gz AJKJJXNJNHUHDQ-OVBFDSAOSA-N 1 1 276.424 3.030 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC(C)(C)C)C2 ZINC001109073846 802108160 /nfs/dbraw/zinc/10/81/60/802108160.db2.gz BSYHCILYGOLQKF-ILXRZTDVSA-N 1 1 278.440 3.110 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C=C(CC)CC)C2 ZINC001109151353 802109623 /nfs/dbraw/zinc/10/96/23/802109623.db2.gz YAQQCTSNHDCXMM-IKGGRYGDSA-N 1 1 290.451 3.421 20 30 CGEDMO CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C)CC1)C2 ZINC001109310347 802113319 /nfs/dbraw/zinc/11/33/19/802113319.db2.gz FRZXUZPOAABBHV-PMPSAXMXSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C)CCC1)C2 ZINC001109601963 802118342 /nfs/dbraw/zinc/11/83/42/802118342.db2.gz WFAWDOMPXXRALM-WCVJEAGWSA-N 1 1 290.451 3.253 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1CCC)C2 ZINC001109690969 802122065 /nfs/dbraw/zinc/12/20/65/802122065.db2.gz RVFLENSOQOVDAA-MTSZKFMLSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CCC)C(C)C)C2 ZINC001109780550 802125140 /nfs/dbraw/zinc/12/51/40/802125140.db2.gz XCRCJMNXMDUYKC-QZWWFDLISA-N 1 1 292.467 3.356 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CCC)C(C)C)C2 ZINC001109779936 802125423 /nfs/dbraw/zinc/12/54/23/802125423.db2.gz BUPOEGHFWQGVAE-NCOADZHNSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC1CCCCC1)C2 ZINC001110056784 802129915 /nfs/dbraw/zinc/12/99/15/802129915.db2.gz LDXHQAXSANCMFZ-IKGGRYGDSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)/C=C(\C)C1CC1)C2 ZINC001110339144 802138253 /nfs/dbraw/zinc/13/82/53/802138253.db2.gz XMLDUCZVKINLPA-USFYBQRSSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)CC)C2 ZINC001110496838 802141940 /nfs/dbraw/zinc/14/19/40/802141940.db2.gz HTUPOFKCUOAAAW-FPCVCCKLSA-N 1 1 278.440 3.110 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC1CCC1)C2 ZINC001110433418 802142010 /nfs/dbraw/zinc/14/20/10/802142010.db2.gz SRJCJPOKPWFRIU-ZACQAIPSSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)CC)C2 ZINC001110491645 802142920 /nfs/dbraw/zinc/14/29/20/802142920.db2.gz UXJNWQKUAHHBTD-JJXSEGSLSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=C)C ZINC001110592943 802144541 /nfs/dbraw/zinc/14/45/41/802144541.db2.gz AKNGULCGTGRERB-ZACQAIPSSA-N 1 1 288.435 3.052 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C(CC)CC)C2 ZINC001110748395 802146525 /nfs/dbraw/zinc/14/65/25/802146525.db2.gz ATIBXKYFPUPLHD-SVGFKBNWSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCC ZINC001110966949 802152950 /nfs/dbraw/zinc/15/29/50/802152950.db2.gz LRVURNSQLDGGCD-OAGGEKHMSA-N 1 1 278.440 3.254 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(CC)(CC)CC)C2 ZINC001111184834 802155979 /nfs/dbraw/zinc/15/59/79/802155979.db2.gz HFVUMSGFAOPGSH-KFWWJZLASA-N 1 1 278.440 3.110 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)c1ccccc1)C2 ZINC001111357440 802161249 /nfs/dbraw/zinc/16/12/49/802161249.db2.gz FRJIMBGMMFHKKD-HPBDAGMYSA-N 1 1 298.430 3.088 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)C1CC1)C2 ZINC001111472394 802161598 /nfs/dbraw/zinc/16/15/98/802161598.db2.gz PEINPBYRKGGWHT-SVGFKBNWSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC2CCCC2)C1 ZINC001111573596 802163063 /nfs/dbraw/zinc/16/30/63/802163063.db2.gz QAYRNWPIDRFMCB-WMZOPIPTSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC(C)(C)C=C)C1 ZINC001111760882 802169106 /nfs/dbraw/zinc/16/91/06/802169106.db2.gz RWBDOCDYMSNEAM-YJBOKZPZSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCCC)C2 ZINC001111848745 802170455 /nfs/dbraw/zinc/17/04/55/802170455.db2.gz RPLDTBNNRTYYLP-RYRKJORJSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCCCCC[NH+]1CCN(C(=O)c2coc(C)c2)CC1 ZINC001112791270 802189788 /nfs/dbraw/zinc/18/97/88/802189788.db2.gz BVHRSAMUDRXIGW-UHFFFAOYSA-N 1 1 292.423 3.316 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC[NH+](CC/C=C/CCC)CC2)C1 ZINC001113322948 802214729 /nfs/dbraw/zinc/21/47/29/802214729.db2.gz GLBOJFCJMVJMDR-VOTSOKGWSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)[C@@H](CC)CCCCC)CC1 ZINC001113664278 802230330 /nfs/dbraw/zinc/23/03/30/802230330.db2.gz FVJJUAPPOWCYQI-INIZCTEOSA-N 1 1 280.456 3.313 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)C/C=C/c2ccc(C)cc2)CC1 ZINC001113759405 802234201 /nfs/dbraw/zinc/23/42/01/802234201.db2.gz DJEQXEGHGBWVNP-SNAWJCMRSA-N 1 1 298.430 3.119 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(C)(C)C ZINC001113868053 802235149 /nfs/dbraw/zinc/23/51/49/802235149.db2.gz RYYGDBRXKAZKOC-QLPKVWCKSA-N 1 1 294.483 3.439 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC(C)(C)C ZINC001115003621 802249320 /nfs/dbraw/zinc/24/93/20/802249320.db2.gz SXKNNSIUWALKIP-LJIGWXMPSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(CC)CC ZINC001115028442 802250676 /nfs/dbraw/zinc/25/06/76/802250676.db2.gz NLKGNHNDSVAYSG-KMANFZQXSA-N 1 1 292.467 3.214 20 30 CGEDMO CCCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@H+](CCF)C[C@H]21 ZINC001115164217 802254334 /nfs/dbraw/zinc/25/43/34/802254334.db2.gz RKJXNPYRLBQILL-QLPKVWCKSA-N 1 1 298.446 3.143 20 30 CGEDMO CCCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC001115164217 802254340 /nfs/dbraw/zinc/25/43/40/802254340.db2.gz RKJXNPYRLBQILL-QLPKVWCKSA-N 1 1 298.446 3.143 20 30 CGEDMO Cc1ccc(CC#N)c(N2CCC(F)(F)C(C)(C)C2)[nH+]1 ZINC001165215701 806975368 /nfs/dbraw/zinc/97/53/68/806975368.db2.gz ANPVLZUXHOKLSS-UHFFFAOYSA-N 1 1 279.334 3.328 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC001116556572 802377070 /nfs/dbraw/zinc/37/70/70/802377070.db2.gz PVZNTVJZJRBZTA-OAHLLOKOSA-N 1 1 284.359 3.119 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](C/C=C\c2ccc(F)cc2)C1 ZINC001116555682 802377454 /nfs/dbraw/zinc/37/74/54/802377454.db2.gz TXRNDQVUGZWPKU-MJSXRHKHSA-N 1 1 261.340 3.116 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2nc3ccccc3n2CCC)C1 ZINC001116554770 802377937 /nfs/dbraw/zinc/37/79/37/802377937.db2.gz DYZNVWZJRGFEKH-OAHLLOKOSA-N 1 1 299.418 3.223 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2nc3ccccc3n2CCC)C1 ZINC001116554770 802377943 /nfs/dbraw/zinc/37/79/43/802377943.db2.gz DYZNVWZJRGFEKH-OAHLLOKOSA-N 1 1 299.418 3.223 20 30 CGEDMO CCCCCCC[C@H](CC)[NH2+]CCCN(C)CCO ZINC001172359484 808254324 /nfs/dbraw/zinc/25/43/24/808254324.db2.gz WWIYTXXDDRULFC-INIZCTEOSA-N 1 1 272.477 3.029 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001116600211 802384616 /nfs/dbraw/zinc/38/46/16/802384616.db2.gz AQDZXCMXTDHXJM-AWEZNQCLSA-N 1 1 267.376 3.156 20 30 CGEDMO CCCCCCCC[C@H](CC)[NH2+][C@](N)(CC)CO ZINC001172501519 808356696 /nfs/dbraw/zinc/35/66/96/808356696.db2.gz CYRDGBSSLFHFHL-LSDHHAIUSA-N 1 1 258.450 3.163 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)/C=C(/C)C2CC2)C1 ZINC001270942527 808755491 /nfs/dbraw/zinc/75/54/91/808755491.db2.gz ZIWJVXWRQXHJTK-WTQUMQLASA-N 1 1 290.451 3.137 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N(C)CCC[N@@H+](C)CC(C)C ZINC001273554551 808853164 /nfs/dbraw/zinc/85/31/64/808853164.db2.gz YBLGUBQMSDGSBS-MRXNPFEDSA-N 1 1 268.445 3.025 20 30 CGEDMO C[N@H+](Cc1cc2ccccc2[nH]1)C[C@H](O)CC1(C#N)CCC1 ZINC001119435332 802664025 /nfs/dbraw/zinc/66/40/25/802664025.db2.gz OQIBRHLZHKDXQE-MRXNPFEDSA-N 1 1 297.402 3.045 20 30 CGEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC001180280732 809989414 /nfs/dbraw/zinc/98/94/14/809989414.db2.gz MHNRXFAQDRYBMA-YJBOKZPZSA-N 1 1 283.419 3.389 20 30 CGEDMO C=CC[C@H]([NH2+][C@@H](C)[C@H]1CC2CCC1CC2)C(=O)OCC ZINC001181454269 810053601 /nfs/dbraw/zinc/05/36/01/810053601.db2.gz DDAYFRISEUUMKG-VLSVSDDBSA-N 1 1 279.424 3.299 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC)C1 ZINC001120272768 802737282 /nfs/dbraw/zinc/73/72/82/802737282.db2.gz UQIYOQGBTDZEEF-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO CCC[C@](C)(C#N)N[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256906680 807007565 /nfs/dbraw/zinc/00/75/65/807007565.db2.gz UCXYRHDGBKPDAA-GDBMZVCRSA-N 1 1 263.429 3.065 20 30 CGEDMO CCC[N@H+]1CCCC[C@H]1C(=O)O[C@@H](C)CC(C)(C)C#N ZINC001122998770 802900785 /nfs/dbraw/zinc/90/07/85/802900785.db2.gz WFHAKCMNCGRALK-KBPBESRZSA-N 1 1 280.412 3.122 20 30 CGEDMO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](C[C@@H](C)CC)C2)C1 ZINC001201499359 811869740 /nfs/dbraw/zinc/86/97/40/811869740.db2.gz KGUMWAFOJORCQI-RDJZCZTQSA-N 1 1 294.439 3.143 20 30 CGEDMO C=C[C@H](C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccccc1 ZINC001123923176 802982722 /nfs/dbraw/zinc/98/27/22/802982722.db2.gz AWMLCDSEESWGSA-RCCFBDPRSA-N 1 1 298.430 3.089 20 30 CGEDMO N#C[C@H]1CC=C(c2ccc(CN3CCC([NH3+])CC3)cc2)CC1 ZINC001243792909 803012024 /nfs/dbraw/zinc/01/20/24/803012024.db2.gz MSPLPWPUFATEBR-HNNXBMFYSA-N 1 1 295.430 3.317 20 30 CGEDMO N#C[C@@H]1CC=C(c2ccc(CN3CCC([NH3+])CC3)cc2)CC1 ZINC001243792914 803012183 /nfs/dbraw/zinc/01/21/83/803012183.db2.gz MSPLPWPUFATEBR-OAHLLOKOSA-N 1 1 295.430 3.317 20 30 CGEDMO N#C[C@H]1CC=C(c2ccccc2CN2CCC([NH3+])CC2)CC1 ZINC001243794136 803013010 /nfs/dbraw/zinc/01/30/10/803013010.db2.gz RGYSVUOBCFMHMK-HNNXBMFYSA-N 1 1 295.430 3.317 20 30 CGEDMO C[N@@H+](Cc1ccc(C2=CC[C@H](C#N)CC2)nc1)C1CC1 ZINC001243797951 803016034 /nfs/dbraw/zinc/01/60/34/803016034.db2.gz QDGFQNPIQJZPSN-ZDUSSCGKSA-N 1 1 267.376 3.383 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CC[C@@H](O)[C@@H](F)CC1 ZINC001209438695 814038011 /nfs/dbraw/zinc/03/80/11/814038011.db2.gz SSZIURLNDGYPSV-LSDHHAIUSA-N 1 1 257.393 3.308 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H](NC(=O)C(C)C)CC[C@H]1C ZINC001131808304 803348115 /nfs/dbraw/zinc/34/81/15/803348115.db2.gz JUIZUPXFFISSQF-CVEARBPZSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)CCCCC)CC[C@@H]1C ZINC001131817387 803348162 /nfs/dbraw/zinc/34/81/62/803348162.db2.gz MLSPBQRREDPLJM-LSDHHAIUSA-N 1 1 266.429 3.112 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC2=CCCCC2)C1 ZINC001131898750 803356157 /nfs/dbraw/zinc/35/61/57/803356157.db2.gz DMRIXLMOCXNCHO-RDJZCZTQSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)/C=C/C(C)(C)C)CC[C@@H]1C ZINC001131912414 803357392 /nfs/dbraw/zinc/35/73/92/803357392.db2.gz XJJTYUBWGUYMBC-KZGTWKPJSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)CCC2CC2)CC[C@@H]1C ZINC001131923930 803357533 /nfs/dbraw/zinc/35/75/33/803357533.db2.gz WTGGBYNZRLTYKU-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)C2=CCCC2)CC[C@@H]1C ZINC001131949510 803361461 /nfs/dbraw/zinc/36/14/61/803361461.db2.gz DLDJTNVHNSAWDH-GOEBONIOSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)C(F)=C(C)C)CC[C@@H]1C ZINC001131967582 803363316 /nfs/dbraw/zinc/36/33/16/803363316.db2.gz GHBYHVKAHBVKII-UONOGXRCSA-N 1 1 282.403 3.185 20 30 CGEDMO C#CCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCC(C)C)C1 ZINC001131977438 803364308 /nfs/dbraw/zinc/36/43/08/803364308.db2.gz XFNKDGILLPCWML-IAGOWNOFSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCC[N@H+]1C[C@H](NC(=O)C=C(CC)CC)CC[C@@H]1C ZINC001131987504 803364489 /nfs/dbraw/zinc/36/44/89/803364489.db2.gz BPDJUWQTPWNBCV-GOEBONIOSA-N 1 1 278.440 3.278 20 30 CGEDMO C#CCCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCCCC)C1 ZINC001131976612 803364689 /nfs/dbraw/zinc/36/46/89/803364689.db2.gz NFZIHSGXVCMCBW-IRXDYDNUSA-N 1 1 292.467 3.339 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCC2CC2)C1 ZINC001132060134 803371447 /nfs/dbraw/zinc/37/14/47/803371447.db2.gz AGVWOQYZNDTVKP-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCC2CC2)C1 ZINC001132060137 803371978 /nfs/dbraw/zinc/37/19/78/803371978.db2.gz AGVWOQYZNDTVKP-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](CC2CC2)C1 ZINC001132079271 803373522 /nfs/dbraw/zinc/37/35/22/803373522.db2.gz WFNDHDANMZUNCB-RISCZKNCSA-N 1 1 298.858 3.144 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)C(C)(C)CC)CC[C@@H]1C ZINC001132256205 803388100 /nfs/dbraw/zinc/38/81/00/803388100.db2.gz KJNHTVAUCBSTDP-GJZGRUSLSA-N 1 1 280.456 3.358 20 30 CGEDMO C#CCC[N@H+]1C[C@H](NC(=O)C(CCC)CCC)CC[C@@H]1C ZINC001132256356 803388395 /nfs/dbraw/zinc/38/83/95/803388395.db2.gz MQAASRRMUKNBFS-DOTOQJQBSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C2(CCC=C)CC2)CC[C@H]1C ZINC001132279031 803390967 /nfs/dbraw/zinc/39/09/67/803390967.db2.gz UAGUMJNQBFMHQQ-CVEARBPZSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)CC)CC[C@@H]1C ZINC001132287862 803392252 /nfs/dbraw/zinc/39/22/52/803392252.db2.gz KMBBXTPTWLPXLH-GJZGRUSLSA-N 1 1 280.456 3.358 20 30 CGEDMO CC#CC[N@H+]1C[C@@H](NC(=O)C(CC)(CC)CC)CC[C@@H]1C ZINC001132385093 803399064 /nfs/dbraw/zinc/39/90/64/803399064.db2.gz YKSIDWSTSSUUJM-HOTGVXAUSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](NC(=O)CC(CC)CC)CC[C@@H]1C ZINC001132391533 803399150 /nfs/dbraw/zinc/39/91/50/803399150.db2.gz BEMJAFQKZMJVEJ-HOCLYGCPSA-N 1 1 280.456 3.358 20 30 CGEDMO N#CCC[N@@H+](Cc1ccc2[nH]cnc2c1)C1CCCC1 ZINC001137045464 803673943 /nfs/dbraw/zinc/67/39/43/803673943.db2.gz JUHZFYZTFFCMAP-UHFFFAOYSA-N 1 1 268.364 3.221 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CCCC3(CCC3)C2)cc1 ZINC001137122555 803684664 /nfs/dbraw/zinc/68/46/64/803684664.db2.gz HEWWRWSDIZWQCB-UHFFFAOYSA-N 1 1 270.376 3.355 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cc[nH]n2)cc1 ZINC001245311674 803696727 /nfs/dbraw/zinc/69/67/27/803696727.db2.gz BQKUNEGYAQCSJN-MRXNPFEDSA-N 1 1 253.349 3.400 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnccc1Cl ZINC001137238371 803703158 /nfs/dbraw/zinc/70/31/58/803703158.db2.gz VMGNCVIGSHLCSI-UOJUARBOSA-N 1 1 261.756 3.002 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnccc1Cl ZINC001137238371 803703163 /nfs/dbraw/zinc/70/31/63/803703163.db2.gz VMGNCVIGSHLCSI-UOJUARBOSA-N 1 1 261.756 3.002 20 30 CGEDMO Cc1cc(C)c(C[N@H+](C)Cc2ccc(C#N)cc2)[nH]1 ZINC001137328083 803716203 /nfs/dbraw/zinc/71/62/03/803716203.db2.gz RJFYFFSBNASQOJ-UHFFFAOYSA-N 1 1 253.349 3.135 20 30 CGEDMO N#Cc1ccc(CC2CC[NH+](Cc3cscn3)CC2)cc1 ZINC001137596343 803742505 /nfs/dbraw/zinc/74/25/05/803742505.db2.gz ZRVRQKUYZZLEEK-UHFFFAOYSA-N 1 1 297.427 3.469 20 30 CGEDMO COc1ccc(C[N@@H+](CC2CC2)C(C)C)c(C#N)c1 ZINC001137703150 803761150 /nfs/dbraw/zinc/76/11/50/803761150.db2.gz FGJCVULTLZLDCM-UHFFFAOYSA-N 1 1 258.365 3.187 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-n2cccn2)cc1 ZINC001137760525 803767706 /nfs/dbraw/zinc/76/77/06/803767706.db2.gz XNQCELOCFYITCP-XGWQRUHWSA-N 1 1 292.386 3.139 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](Cc2ccc(O)c3ccccc23)C1 ZINC001138062701 803844844 /nfs/dbraw/zinc/84/48/44/803844844.db2.gz WSYGLUPCVCJHOW-KRWDZBQOSA-N 1 1 266.344 3.281 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(O)c3ccccc23)C1 ZINC001138062701 803844855 /nfs/dbraw/zinc/84/48/55/803844855.db2.gz WSYGLUPCVCJHOW-KRWDZBQOSA-N 1 1 266.344 3.281 20 30 CGEDMO Cc1ccc(C#N)c(-c2c[nH+]c(N(C)C)cc2C)c1 ZINC001245605102 803849698 /nfs/dbraw/zinc/84/96/98/803849698.db2.gz ZDXKFFVXGAYIDW-UHFFFAOYSA-N 1 1 251.333 3.303 20 30 CGEDMO Cc1c(C[N@@H+]2CCC[C@@H](C#N)C2)c2ccccc2n1C ZINC001138258078 803883956 /nfs/dbraw/zinc/88/39/56/803883956.db2.gz KOFHSSODIGNDPL-AWEZNQCLSA-N 1 1 267.376 3.222 20 30 CGEDMO Cc1c(C[N@H+]2CCC[C@@H](C#N)C2)c2ccccc2n1C ZINC001138258078 803883966 /nfs/dbraw/zinc/88/39/66/803883966.db2.gz KOFHSSODIGNDPL-AWEZNQCLSA-N 1 1 267.376 3.222 20 30 CGEDMO Cc1c2ccccc2[nH]c1C[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001138397940 803916188 /nfs/dbraw/zinc/91/61/88/803916188.db2.gz IPGCNTRIDNOVNT-INIZCTEOSA-N 1 1 298.411 3.250 20 30 CGEDMO Cc1c2ccccc2[nH]c1C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001138397940 803916194 /nfs/dbraw/zinc/91/61/94/803916194.db2.gz IPGCNTRIDNOVNT-INIZCTEOSA-N 1 1 298.411 3.250 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(F)c(OC)c(F)c1 ZINC001138425365 803930847 /nfs/dbraw/zinc/93/08/47/803930847.db2.gz PSCVUJWKVDERRF-UHFFFAOYSA-N 1 1 255.308 3.371 20 30 CGEDMO COc1c(C)cc(C[N@H+]2CCC[C@@H](C#N)CC2)cc1C ZINC001138428697 803932309 /nfs/dbraw/zinc/93/23/09/803932309.db2.gz PZBPPIDUSPHTND-OAHLLOKOSA-N 1 1 272.392 3.438 20 30 CGEDMO CN(C)c1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)s1 ZINC001138493301 803951644 /nfs/dbraw/zinc/95/16/44/803951644.db2.gz WFEVMBSTKKLBLA-UHFFFAOYSA-N 1 1 285.416 3.318 20 30 CGEDMO C#CCOc1ccc(C[N@@H+](CC2CC2)C2CC2)cc1 ZINC001138560202 803968284 /nfs/dbraw/zinc/96/82/84/803968284.db2.gz LHENTOLUZMIFEU-UHFFFAOYSA-N 1 1 255.361 3.073 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2CC(C)(C)C[C@]2(C)CO)c1O ZINC001138625442 803982322 /nfs/dbraw/zinc/98/23/22/803982322.db2.gz LCMFSSPSWXVZEY-GOSISDBHSA-N 1 1 289.419 3.104 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CCc3cc(O)ccc3C2)c1O ZINC001138626585 803983649 /nfs/dbraw/zinc/98/36/49/803983649.db2.gz KZPAEHCLBXIDHU-UHFFFAOYSA-N 1 1 295.382 3.385 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2CCC[C@H]2c2nc(C)no2)c1O ZINC001138628236 803986763 /nfs/dbraw/zinc/98/67/63/803986763.db2.gz QTIQZGRLRWTLGZ-HNNXBMFYSA-N 1 1 299.374 3.149 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CCC[C@@H](O)[C@@H](C)C1 ZINC001138662045 803995170 /nfs/dbraw/zinc/99/51/70/803995170.db2.gz NTCACXZLASCRQO-DOTOQJQBSA-N 1 1 289.419 3.234 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CCC[C@H](O)[C@@H](C)C1 ZINC001138662047 803995736 /nfs/dbraw/zinc/99/57/36/803995736.db2.gz NTCACXZLASCRQO-RDJZCZTQSA-N 1 1 289.419 3.234 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1CCC[C@H](OC)C1 ZINC001138663372 803996955 /nfs/dbraw/zinc/99/69/55/803996955.db2.gz UEBOXAADTWKKNB-INIZCTEOSA-N 1 1 275.392 3.252 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1CCC[C@H]1COC ZINC001138662494 803997638 /nfs/dbraw/zinc/99/76/38/803997638.db2.gz ZIHMCLPBTMNBMB-INIZCTEOSA-N 1 1 275.392 3.252 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1CCC[C@@H]1COC ZINC001138663590 803998076 /nfs/dbraw/zinc/99/80/76/803998076.db2.gz ZIHMCLPBTMNBMB-MRXNPFEDSA-N 1 1 275.392 3.252 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1C[C@@H]2C(=O)CCC[C@@H]2C1 ZINC001138667428 803999937 /nfs/dbraw/zinc/99/99/37/803999937.db2.gz XCKLTLABFMEVHL-WBVHZDCISA-N 1 1 299.414 3.443 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cnc2[nH]ccc2c1 ZINC001138739543 804024602 /nfs/dbraw/zinc/02/46/02/804024602.db2.gz WCLKVBULVVAKBQ-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO C=CCCCCCC[C@H](O)C[NH2+][C@H](CN)c1ccccc1 ZINC001245971586 804092156 /nfs/dbraw/zinc/09/21/56/804092156.db2.gz BBFOXZQOHQPNER-ZWKOTPCHSA-N 1 1 290.451 3.164 20 30 CGEDMO CCCCCCCC[C@H](O)CN(C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001246059880 804105394 /nfs/dbraw/zinc/10/53/94/804105394.db2.gz CBNLYXVKYNJHHY-ULQDDVLXSA-N 1 1 284.488 3.300 20 30 CGEDMO C=CC[NH+]1CCN(Cc2cc(Cl)ccc2OCC)CC1 ZINC001139009982 804108388 /nfs/dbraw/zinc/10/83/88/804108388.db2.gz ZRGFNBXIGCXROA-UHFFFAOYSA-N 1 1 294.826 3.042 20 30 CGEDMO O=C1C=C2C[N@@H+](Cc3ccc4cccnc4c3)CC[C@@H]2S1 ZINC001139169737 804148436 /nfs/dbraw/zinc/14/84/36/804148436.db2.gz FAWKMFSQGLGRME-INIZCTEOSA-N 1 1 296.395 3.009 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3ccc4cccnc4c3)CC[C@@H]2S1 ZINC001139169737 804148439 /nfs/dbraw/zinc/14/84/39/804148439.db2.gz FAWKMFSQGLGRME-INIZCTEOSA-N 1 1 296.395 3.009 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc3cccnc3c2)C1 ZINC001139167896 804148558 /nfs/dbraw/zinc/14/85/58/804148558.db2.gz FQQMJTFTEMRDDM-AWEZNQCLSA-N 1 1 250.345 3.080 20 30 CGEDMO Cc1cccc2[nH]cc(C[N@H+]3CC[C@@H]4SC(=O)C=C4C3)c21 ZINC001139196123 804157859 /nfs/dbraw/zinc/15/78/59/804157859.db2.gz ZXIYNBJNTFMRMJ-HNNXBMFYSA-N 1 1 298.411 3.250 20 30 CGEDMO Cc1cccc2[nH]cc(C[N@@H+]3CCC4SC(=O)C=C4C3)c21 ZINC001139196123 804157864 /nfs/dbraw/zinc/15/78/64/804157864.db2.gz ZXIYNBJNTFMRMJ-HNNXBMFYSA-N 1 1 298.411 3.250 20 30 CGEDMO Cc1cccc2[nH]cc(C[N@H+]3CCC4SC(=O)C=C4C3)c21 ZINC001139196123 804157869 /nfs/dbraw/zinc/15/78/69/804157869.db2.gz ZXIYNBJNTFMRMJ-HNNXBMFYSA-N 1 1 298.411 3.250 20 30 CGEDMO CCCCCCC[C@H](CC)NC[C@]1(F)CC[NH2+]C1 ZINC001246145974 804166306 /nfs/dbraw/zinc/16/63/06/804166306.db2.gz MYBGGLDDXNLSCR-GJZGRUSLSA-N 1 1 258.425 3.417 20 30 CGEDMO CCCCCCC[C@H](CC)[NH2+]C[C@]1(F)CCNC1 ZINC001246145974 804166312 /nfs/dbraw/zinc/16/63/12/804166312.db2.gz MYBGGLDDXNLSCR-GJZGRUSLSA-N 1 1 258.425 3.417 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(N2CCC(O)CC2)s1 ZINC001139296917 804173661 /nfs/dbraw/zinc/17/36/61/804173661.db2.gz QHDUBMURYLXULG-UHFFFAOYSA-N 1 1 294.464 3.107 20 30 CGEDMO COCC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001139527264 804202200 /nfs/dbraw/zinc/20/22/00/804202200.db2.gz CVOBOSPSUJEZHN-OAHLLOKOSA-N 1 1 276.355 3.088 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(OCC)c(CC)c2)C1 ZINC001139623839 804234069 /nfs/dbraw/zinc/23/40/69/804234069.db2.gz OLUIAZZVTQQAGC-OAHLLOKOSA-N 1 1 271.404 3.493 20 30 CGEDMO C#C[C@](C)(CC)N[C@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1 ZINC001246264740 804246513 /nfs/dbraw/zinc/24/65/13/804246513.db2.gz LCFYTTUBGLMZIV-RYQLBKOJSA-N 1 1 288.410 3.319 20 30 CGEDMO N#Cc1c(Cl)cccc1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC001139687296 804254888 /nfs/dbraw/zinc/25/48/88/804254888.db2.gz NKRCHTFIPHAJRB-MRXNPFEDSA-N 1 1 290.794 3.214 20 30 CGEDMO N#Cc1c(Cl)cccc1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC001139687296 804254896 /nfs/dbraw/zinc/25/48/96/804254896.db2.gz NKRCHTFIPHAJRB-MRXNPFEDSA-N 1 1 290.794 3.214 20 30 CGEDMO CCCN(CCC[NH+](C)C)Cc1ccc(C)c(C#N)c1 ZINC001139727199 804267327 /nfs/dbraw/zinc/26/73/27/804267327.db2.gz JAEVQGJJTRMUKT-UHFFFAOYSA-N 1 1 273.424 3.030 20 30 CGEDMO CCC[N@H+](CCCN(C)C)Cc1ccc(C)c(C#N)c1 ZINC001139727199 804267335 /nfs/dbraw/zinc/26/73/35/804267335.db2.gz JAEVQGJJTRMUKT-UHFFFAOYSA-N 1 1 273.424 3.030 20 30 CGEDMO CCC[N@@H+](CCCN(C)C)Cc1ccc(C)c(C#N)c1 ZINC001139727199 804267341 /nfs/dbraw/zinc/26/73/41/804267341.db2.gz JAEVQGJJTRMUKT-UHFFFAOYSA-N 1 1 273.424 3.030 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cnc2cccnc2c1 ZINC001139743847 804273541 /nfs/dbraw/zinc/27/35/41/804273541.db2.gz RSWDUIIYKHAHJU-UHFFFAOYSA-N 1 1 255.365 3.418 20 30 CGEDMO C=CCn1cc(C[N@H+]2CCC[C@@H]2c2cccs2)cn1 ZINC001139770237 804277928 /nfs/dbraw/zinc/27/79/28/804277928.db2.gz ILNIJGTVOLKCTK-CQSZACIVSA-N 1 1 273.405 3.468 20 30 CGEDMO C=CCn1cc(C[N@@H+]2CC[C@H](Oc3ccccc3C)C2)cn1 ZINC001139770200 804278336 /nfs/dbraw/zinc/27/83/36/804278336.db2.gz HAROBMNKDJARAC-KRWDZBQOSA-N 1 1 297.402 3.031 20 30 CGEDMO C=CCn1cc(C[N@@H+]2CC[C@@H](c3ccc(OC)cc3)C2)cn1 ZINC001139771322 804278486 /nfs/dbraw/zinc/27/84/86/804278486.db2.gz XCOCFJDZVIJRTH-QGZVFWFLSA-N 1 1 297.402 3.067 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cc(F)cc(Cl)c2)no1 ZINC001212324872 815005316 /nfs/dbraw/zinc/00/53/16/815005316.db2.gz AFNCNUOAUBGCCF-LBPRGKRZSA-N 1 1 293.729 3.332 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1cncc2ccccc21 ZINC001139894789 804320471 /nfs/dbraw/zinc/32/04/71/804320471.db2.gz DFRJKZSWMGKBQY-UHFFFAOYSA-N 1 1 253.349 3.360 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1cncc2ccccc21 ZINC001139894789 804320481 /nfs/dbraw/zinc/32/04/81/804320481.db2.gz DFRJKZSWMGKBQY-UHFFFAOYSA-N 1 1 253.349 3.360 20 30 CGEDMO Cc1nccn1-c1ccccc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001140027854 804356811 /nfs/dbraw/zinc/35/68/11/804356811.db2.gz DPRLZWZHGQJRQE-MRXNPFEDSA-N 1 1 294.402 3.306 20 30 CGEDMO CC[N@@H+](Cc1c[nH]c2ccc(C#N)cc12)C1CCOCC1 ZINC001140114248 804380932 /nfs/dbraw/zinc/38/09/32/804380932.db2.gz LKEHQSYVJAGIIU-UHFFFAOYSA-N 1 1 283.375 3.040 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c(F)c1 ZINC001140135994 804385855 /nfs/dbraw/zinc/38/58/55/804385855.db2.gz BWACYPIFWYTNIN-BETUJISGSA-N 1 1 280.293 3.174 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c(F)c1 ZINC001140135994 804385862 /nfs/dbraw/zinc/38/58/62/804385862.db2.gz BWACYPIFWYTNIN-BETUJISGSA-N 1 1 280.293 3.174 20 30 CGEDMO CCCCCCCCCC[C@@H](C)[N@@H+]1CC[C@@H](O)[C@H](N)C1 ZINC001246567809 804415241 /nfs/dbraw/zinc/41/52/41/804415241.db2.gz NZFTVXPLRJIOFG-BRWVUGGUSA-N 1 1 284.488 3.300 20 30 CGEDMO CCCCCCCCCC[C@@H](C)[N@H+]1CC[C@@H](O)[C@H](N)C1 ZINC001246567809 804415244 /nfs/dbraw/zinc/41/52/44/804415244.db2.gz NZFTVXPLRJIOFG-BRWVUGGUSA-N 1 1 284.488 3.300 20 30 CGEDMO N#C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(Cl)nn3)cc2)C1 ZINC001140415720 804429940 /nfs/dbraw/zinc/42/99/40/804429940.db2.gz SONOLIVTFUNEHY-ZDUSSCGKSA-N 1 1 298.777 3.142 20 30 CGEDMO N#C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(Cl)nn3)cc2)C1 ZINC001140415720 804429942 /nfs/dbraw/zinc/42/99/42/804429942.db2.gz SONOLIVTFUNEHY-ZDUSSCGKSA-N 1 1 298.777 3.142 20 30 CGEDMO CCCCCCC[C@H](CCC)[NH+]1CC2(C[NH2+]C2)C1 ZINC001246613501 804446477 /nfs/dbraw/zinc/44/64/77/804446477.db2.gz JOGJNLPYTCFOQJ-HNNXBMFYSA-N 1 1 252.446 3.421 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccc2c(c1)ncn2C ZINC001140508889 804450071 /nfs/dbraw/zinc/45/00/71/804450071.db2.gz AHRBWXWYOWVSRU-UHFFFAOYSA-N 1 1 257.381 3.361 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H](c2ccccc2)C2(CNC2)C1 ZINC001246616678 804451361 /nfs/dbraw/zinc/45/13/61/804451361.db2.gz ADUFTLKLPNYQMY-WBVHZDCISA-N 1 1 270.420 3.030 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](c2ccccc2)C2(CNC2)C1 ZINC001246616678 804451367 /nfs/dbraw/zinc/45/13/67/804451367.db2.gz ADUFTLKLPNYQMY-WBVHZDCISA-N 1 1 270.420 3.030 20 30 CGEDMO CCCCCCC[C@H](CCC)[N@H+]1CCOC2(CNC2)C1 ZINC001246617683 804451903 /nfs/dbraw/zinc/45/19/03/804451903.db2.gz DOHIYTWQFZHAIO-INIZCTEOSA-N 1 1 282.472 3.190 20 30 CGEDMO CCCCCCC[C@H](CCC)N1CCOC2(C[NH2+]C2)C1 ZINC001246617683 804451909 /nfs/dbraw/zinc/45/19/09/804451909.db2.gz DOHIYTWQFZHAIO-INIZCTEOSA-N 1 1 282.472 3.190 20 30 CGEDMO C[C@@H]1c2ccccc2CC[N@H+]1Cc1ccc(C#N)nc1 ZINC001140540124 804456260 /nfs/dbraw/zinc/45/62/60/804456260.db2.gz JZNHQNCXOQZWLK-CYBMUJFWSA-N 1 1 263.344 3.073 20 30 CGEDMO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(C#N)nc1 ZINC001140540124 804456262 /nfs/dbraw/zinc/45/62/62/804456262.db2.gz JZNHQNCXOQZWLK-CYBMUJFWSA-N 1 1 263.344 3.073 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)cn1 ZINC001140543626 804457864 /nfs/dbraw/zinc/45/78/64/804457864.db2.gz CSWOFKIUHNXECA-QGZVFWFLSA-N 1 1 295.411 3.243 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCSC[C@@H]2c2ccccc2)cn1 ZINC001140543626 804457870 /nfs/dbraw/zinc/45/78/70/804457870.db2.gz CSWOFKIUHNXECA-QGZVFWFLSA-N 1 1 295.411 3.243 20 30 CGEDMO C[N@@H+](CCCc1ccccc1)Cc1ccc(C#N)nc1 ZINC001140544148 804458013 /nfs/dbraw/zinc/45/80/13/804458013.db2.gz ZYEJYVCYDPZFCA-UHFFFAOYSA-N 1 1 265.360 3.018 20 30 CGEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)nc2)cc1 ZINC001140543685 804458538 /nfs/dbraw/zinc/45/85/38/804458538.db2.gz QYYNLJJTQYLPGP-GOSISDBHSA-N 1 1 293.370 3.299 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC001140568261 804463634 /nfs/dbraw/zinc/46/36/34/804463634.db2.gz XJWGGDJMVMWIPM-LLVKDONJSA-N 1 1 251.732 3.324 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cccc(F)c2Cl)C1 ZINC001140568261 804463638 /nfs/dbraw/zinc/46/36/38/804463638.db2.gz XJWGGDJMVMWIPM-LLVKDONJSA-N 1 1 251.732 3.324 20 30 CGEDMO Cc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)ccc1O ZINC001140576426 804465113 /nfs/dbraw/zinc/46/51/13/804465113.db2.gz VNIUNXKPIIKUST-UHFFFAOYSA-N 1 1 266.344 3.204 20 30 CGEDMO N#Cc1ccc(Cl)c(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)c1 ZINC001140600597 804471299 /nfs/dbraw/zinc/47/12/99/804471299.db2.gz PQDYARMNYNVLRJ-BBRMVZONSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1ccc(Cl)c(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)c1 ZINC001140600597 804471302 /nfs/dbraw/zinc/47/13/02/804471302.db2.gz PQDYARMNYNVLRJ-BBRMVZONSA-N 1 1 290.794 3.213 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(CNC(=O)OC(C)(C)C)cc1 ZINC001140596479 804471873 /nfs/dbraw/zinc/47/18/73/804471873.db2.gz BEKBMSKOJSMKIY-UHFFFAOYSA-N 1 1 290.407 3.329 20 30 CGEDMO CCCCCCC[C@H](CC(C)C)[N@H+]1CCNC[C@@H]1CO ZINC001246694457 804498934 /nfs/dbraw/zinc/49/89/34/804498934.db2.gz IKHNGIVAYNVGJM-IAGOWNOFSA-N 1 1 284.488 3.028 20 30 CGEDMO CCCCCCCC[C@@H](CCC)[N@H+]1CCNC[C@H]1CO ZINC001246700277 804499298 /nfs/dbraw/zinc/49/92/98/804499298.db2.gz PHUKRCDQWISORV-SJORKVTESA-N 1 1 284.488 3.172 20 30 CGEDMO N#Cc1c(F)cc(C[N@H+]2CC[C@H](c3ccncc3)C2)cc1F ZINC001140754445 804506479 /nfs/dbraw/zinc/50/64/79/804506479.db2.gz ZSOQBQJNJFCZPP-AWEZNQCLSA-N 1 1 299.324 3.221 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2cc(F)c(C#N)c(F)c2)[C@@H]1C ZINC001140754387 804506512 /nfs/dbraw/zinc/50/65/12/804506512.db2.gz XSIBMIKOMZDKSD-GHMZBOCLSA-N 1 1 264.319 3.457 20 30 CGEDMO N#CCN(Cc1ccccc1)[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256920748 807011450 /nfs/dbraw/zinc/01/14/50/807011450.db2.gz QRDFEWPCUMSLBY-IBGZPJMESA-N 1 1 297.446 3.419 20 30 CGEDMO CC1(C)C[N@@H+](Cc2cccc(C#N)c2Cl)[C@@](C)(CO)C1 ZINC001140807519 804524188 /nfs/dbraw/zinc/52/41/88/804524188.db2.gz BHPZQYADBYSINI-MRXNPFEDSA-N 1 1 292.810 3.195 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(OC(F)F)c(OCC2CC2)c1 ZINC001140905039 804547541 /nfs/dbraw/zinc/54/75/41/804547541.db2.gz SECBWZZCYDMRJT-UHFFFAOYSA-N 1 1 295.329 3.142 20 30 CGEDMO CCCCCCC[C@H](CC(C)C)[N@H+]1CCN[C@@H](CCO)C1 ZINC001246876298 804575330 /nfs/dbraw/zinc/57/53/30/804575330.db2.gz RHVGXXCTDXPYKG-ZWKOTPCHSA-N 1 1 298.515 3.418 20 30 CGEDMO CCCCCCCCC[C@H](C)[N@H+]1CCN[C@@H](CCO)C1 ZINC001246877580 804576126 /nfs/dbraw/zinc/57/61/26/804576126.db2.gz WFNJPOIDNNBPBF-IRXDYDNUSA-N 1 1 284.488 3.172 20 30 CGEDMO CCCCCCCCC[C@H](C)N1CC[NH2+][C@@H](CCO)C1 ZINC001246877580 804576131 /nfs/dbraw/zinc/57/61/31/804576131.db2.gz WFNJPOIDNNBPBF-IRXDYDNUSA-N 1 1 284.488 3.172 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC001141040154 804577052 /nfs/dbraw/zinc/57/70/52/804577052.db2.gz XIZXMJKORTXBON-UHFFFAOYSA-N 1 1 261.365 3.246 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCNC[C@@H]1c1cccs1 ZINC001246882584 804577877 /nfs/dbraw/zinc/57/78/77/804577877.db2.gz AKAKIHADGCEUEL-QWHCGFSZSA-N 1 1 250.411 3.049 20 30 CGEDMO C=CCC[C@H](C)N1CC[NH2+]C[C@@H]1c1cccs1 ZINC001246882584 804577880 /nfs/dbraw/zinc/57/78/80/804577880.db2.gz AKAKIHADGCEUEL-QWHCGFSZSA-N 1 1 250.411 3.049 20 30 CGEDMO N#Cc1c(N)sc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1Cl ZINC001141107033 804589981 /nfs/dbraw/zinc/58/99/81/804589981.db2.gz NKQAQBDUDTXJLK-AOOOYVTPSA-N 1 1 295.839 3.477 20 30 CGEDMO C[N@H+](Cc1sc(N)c(C#N)c1Cl)Cc1ccccc1 ZINC001141109982 804592084 /nfs/dbraw/zinc/59/20/84/804592084.db2.gz XFPYNKGQDISZIS-UHFFFAOYSA-N 1 1 291.807 3.487 20 30 CGEDMO C[N@@H+](Cc1sc(N)c(C#N)c1Cl)Cc1ccccc1 ZINC001141109982 804592086 /nfs/dbraw/zinc/59/20/86/804592086.db2.gz XFPYNKGQDISZIS-UHFFFAOYSA-N 1 1 291.807 3.487 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccnc3ccc(OC)cc23)C1 ZINC001141150874 804598526 /nfs/dbraw/zinc/59/85/26/804598526.db2.gz RCMZHOMFBGLVMO-CQSZACIVSA-N 1 1 280.371 3.089 20 30 CGEDMO N#Cc1ccc(Br)c(C[N@@H+]2CCCC23CC3)c1 ZINC001141654598 804662828 /nfs/dbraw/zinc/66/28/28/804662828.db2.gz DORKTGBDVBDKCB-UHFFFAOYSA-N 1 1 291.192 3.449 20 30 CGEDMO N#Cc1ccc(Br)c(C[N@H+]2CCCC23CC3)c1 ZINC001141654598 804662830 /nfs/dbraw/zinc/66/28/30/804662830.db2.gz DORKTGBDVBDKCB-UHFFFAOYSA-N 1 1 291.192 3.449 20 30 CGEDMO CSc1nc(C[N@H+]2CCCC[C@@H]2C)ccc1C#N ZINC001141928996 804680365 /nfs/dbraw/zinc/68/03/65/804680365.db2.gz HCTTYMPOUNGXRO-NSHDSACASA-N 1 1 261.394 3.050 20 30 CGEDMO CSc1nc(C[N@H+]2CCC[C@@](C)(F)CC2)ccc1C#N ZINC001141931671 804680763 /nfs/dbraw/zinc/68/07/63/804680763.db2.gz HYDGVIQCIYLVHC-OAHLLOKOSA-N 1 1 293.411 3.389 20 30 CGEDMO C=CC[N@H+](Cc1ccc(C#N)c(SC)n1)C(C)(C)C ZINC001141945494 804681522 /nfs/dbraw/zinc/68/15/22/804681522.db2.gz AYDIOCTWEAVVGX-UHFFFAOYSA-N 1 1 275.421 3.462 20 30 CGEDMO C#CC[N@@H+](C)Cc1ccc(C#Cc2ccccc2)s1 ZINC001141978013 804683362 /nfs/dbraw/zinc/68/33/62/804683362.db2.gz XAFKBOFTJRKLBW-UHFFFAOYSA-N 1 1 265.381 3.213 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(C#Cc2ccccc2)s1 ZINC001141978013 804683364 /nfs/dbraw/zinc/68/33/64/804683364.db2.gz XAFKBOFTJRKLBW-UHFFFAOYSA-N 1 1 265.381 3.213 20 30 CGEDMO N#CCC[N@@H+](Cc1ccnc2[nH]ccc21)C1CCCC1 ZINC001142880169 804778704 /nfs/dbraw/zinc/77/87/04/804778704.db2.gz CZDLTKGLXJGWSS-UHFFFAOYSA-N 1 1 268.364 3.221 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH3+])c1nc(-c2cc(C)cc(Cl)c2)no1 ZINC001247620952 804781883 /nfs/dbraw/zinc/78/18/83/804781883.db2.gz BYFHDQLMRJANCO-QMTHXVAHSA-N 1 1 275.739 3.058 20 30 CGEDMO N#Cc1ccc2c(C[N@H+]3CC[C@@H]4OCCC[C@H]4C3)c[nH]c2c1 ZINC001142912006 804782912 /nfs/dbraw/zinc/78/29/12/804782912.db2.gz RGDQAZQWQPUSSV-KSSFIOAISA-N 1 1 295.386 3.040 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cnccc2C(F)(F)F)no1 ZINC001247622999 804784694 /nfs/dbraw/zinc/78/46/94/804784694.db2.gz UMFVDKKPGDPAAC-SNVBAGLBSA-N 1 1 298.268 3.116 20 30 CGEDMO Cc1cc(-c2noc([C@H]([NH3+])CC3CCCC3)n2)ccc1C#N ZINC001247833748 804845031 /nfs/dbraw/zinc/84/50/31/804845031.db2.gz DXZQLGCIEOSZFT-OAHLLOKOSA-N 1 1 296.374 3.497 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2ccc(Cl)c(C)c2)no1 ZINC001247968121 804858521 /nfs/dbraw/zinc/85/85/21/804858521.db2.gz SNMQJRLMGPZKJS-NSHDSACASA-N 1 1 263.728 3.274 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2cc(C)c(F)c(C)c2)no1 ZINC001247968580 804859291 /nfs/dbraw/zinc/85/92/91/804859291.db2.gz YOTDHVUPMHYMAF-NSHDSACASA-N 1 1 261.300 3.068 20 30 CGEDMO N#Cc1ccc(C2CCC([N@H+]3CC[C@H](C#N)C3)CC2)cc1 ZINC001257018920 807029565 /nfs/dbraw/zinc/02/95/65/807029565.db2.gz HNIGUQOONCJDIV-FAEJEUNOSA-N 1 1 279.387 3.430 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(F)c(OCC)c(F)c2)C1 ZINC001144030831 804929759 /nfs/dbraw/zinc/92/97/59/804929759.db2.gz ONNGMRWVKQXLRA-GFCCVEGCSA-N 1 1 279.330 3.209 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(F)c(OCC)c(F)c2)C1 ZINC001144030831 804929762 /nfs/dbraw/zinc/92/97/62/804929762.db2.gz ONNGMRWVKQXLRA-GFCCVEGCSA-N 1 1 279.330 3.209 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[N@@H+]2CCc3ccccc3[C@H]2C1 ZINC001144069375 804932973 /nfs/dbraw/zinc/93/29/73/804932973.db2.gz UUDPLWANYKEKQJ-QGZVFWFLSA-N 1 1 298.430 3.030 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[N@H+]2CCc3ccccc3[C@H]2C1 ZINC001144069375 804932977 /nfs/dbraw/zinc/93/29/77/804932977.db2.gz UUDPLWANYKEKQJ-QGZVFWFLSA-N 1 1 298.430 3.030 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)nc1 ZINC001144163187 804947045 /nfs/dbraw/zinc/94/70/45/804947045.db2.gz SZIILAHDLSNBOB-GDBMZVCRSA-N 1 1 255.365 3.108 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc2cc[nH]c2n1 ZINC001144188302 804949933 /nfs/dbraw/zinc/94/99/33/804949933.db2.gz VPJIWQKRJATRLS-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO Cc1ccc2c(C[N@H+]3CC[C@](C)(C#N)C3)cccc2n1 ZINC001248578152 804957527 /nfs/dbraw/zinc/95/75/27/804957527.db2.gz YEZCXMUFMCSFCF-QGZVFWFLSA-N 1 1 265.360 3.279 20 30 CGEDMO CC(C)(C)C#CC(=O)Nc1c[nH+]ccc1Nc1ccccc1 ZINC001144349508 804976704 /nfs/dbraw/zinc/97/67/04/804976704.db2.gz NJLYXJOZOMFKSD-UHFFFAOYSA-N 1 1 293.370 3.235 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@@H+](C)Cc1cccnc1C ZINC001248752403 804983680 /nfs/dbraw/zinc/98/36/80/804983680.db2.gz KKZWNHRPUHRJDZ-UHFFFAOYSA-N 1 1 279.387 3.456 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@@H+]1CCCC[C@@H]1C(C)=O ZINC001248752607 804983758 /nfs/dbraw/zinc/98/37/58/804983758.db2.gz SEMNADTZVSFWBS-QGZVFWFLSA-N 1 1 270.376 3.064 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1C(C)=O ZINC001248752607 804983760 /nfs/dbraw/zinc/98/37/60/804983760.db2.gz SEMNADTZVSFWBS-QGZVFWFLSA-N 1 1 270.376 3.064 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1ccc(C#N)cc1CC ZINC001248751274 804984271 /nfs/dbraw/zinc/98/42/71/804984271.db2.gz QNZSLYNDVSYEAN-UHFFFAOYSA-N 1 1 255.365 3.246 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1ccc(C#N)cc1CC ZINC001248751274 804984273 /nfs/dbraw/zinc/98/42/73/804984273.db2.gz QNZSLYNDVSYEAN-UHFFFAOYSA-N 1 1 255.365 3.246 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ncc(C(F)(F)F)cc2F)C1 ZINC001248790263 804991442 /nfs/dbraw/zinc/99/14/42/804991442.db2.gz JPBGPXORWNGDRQ-JTQLQIEISA-N 1 1 286.272 3.085 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ncc(C(F)(F)F)cc2F)C1 ZINC001248790263 804991446 /nfs/dbraw/zinc/99/14/46/804991446.db2.gz JPBGPXORWNGDRQ-JTQLQIEISA-N 1 1 286.272 3.085 20 30 CGEDMO Cc1nc(C[NH+]2CCC(CC#N)CC2)ccc1Cl ZINC001248878327 805031086 /nfs/dbraw/zinc/03/10/86/805031086.db2.gz TYRZSZVVUPULDJ-UHFFFAOYSA-N 1 1 263.772 3.169 20 30 CGEDMO C=CCCCCCCCCC(=O)N1CC[N@H+]2CC[C@@H]2C1 ZINC001144798056 805056258 /nfs/dbraw/zinc/05/62/58/805056258.db2.gz ZKSRNOZWUHLQTA-MRXNPFEDSA-N 1 1 278.440 3.210 20 30 CGEDMO CCC[C@@H]1CCCC[N@H+]1Cc1cnn2ccc(C#N)cc12 ZINC001249107076 805090730 /nfs/dbraw/zinc/09/07/30/805090730.db2.gz QIPWUKPXWXFXGT-MRXNPFEDSA-N 1 1 282.391 3.361 20 30 CGEDMO N#Cc1ccn2ncc(C[N@H+]3CCC[C@H]4CCCC[C@H]43)c2c1 ZINC001249107064 805091118 /nfs/dbraw/zinc/09/11/18/805091118.db2.gz QBWQVXBBLXIAJK-NVXWUHKLSA-N 1 1 294.402 3.361 20 30 CGEDMO N#Cc1ccn2ncc(C[N@H+]3CCC[C@@H]4CCCC[C@H]43)c2c1 ZINC001249107063 805092051 /nfs/dbraw/zinc/09/20/51/805092051.db2.gz QBWQVXBBLXIAJK-DOTOQJQBSA-N 1 1 294.402 3.361 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)c3ccccc3)C2)C1 ZINC001146920044 805099001 /nfs/dbraw/zinc/09/90/01/805099001.db2.gz OMYPEDMSCXIEGD-MRXNPFEDSA-N 1 1 298.430 3.189 20 30 CGEDMO CCCCCCC[N@H+]1CCC2(CN(C(=O)C3(C)CC3)C2)C1 ZINC001147598395 805140556 /nfs/dbraw/zinc/14/05/56/805140556.db2.gz RXWKPOJFDDMCMO-UHFFFAOYSA-N 1 1 292.467 3.291 20 30 CGEDMO C=C(C)CCC(=O)N1CC2(C1)CC[N@@H+](CCCCCF)C2 ZINC001147640278 805141678 /nfs/dbraw/zinc/14/16/78/805141678.db2.gz TUYWDQASVCUIOE-UHFFFAOYSA-N 1 1 296.430 3.017 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(CN(C(=O)CC(C)(C)CC)C2)C1 ZINC001147625645 805142336 /nfs/dbraw/zinc/14/23/36/805142336.db2.gz WGFINMVHKBPUIL-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cc3ccc(C#N)cc3[nH]2)CCC[C@]1(C)O ZINC001249426953 805147345 /nfs/dbraw/zinc/14/73/45/805147345.db2.gz LZKRTFIMBMGCPP-UGSOOPFHSA-N 1 1 297.402 3.022 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)C3(CC)CC3)C2)C1 ZINC001148235000 805168826 /nfs/dbraw/zinc/16/88/26/805168826.db2.gz HAGLMBJYRJHTLX-HNNXBMFYSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)C3(CCC)CC3)C2)C1 ZINC001148242119 805169783 /nfs/dbraw/zinc/16/97/83/805169783.db2.gz ZFUPMBLDYLAAOE-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@@H+]1CCC2(CN(C(=O)CCCCCC(C)C)C2)C1 ZINC001148390370 805177752 /nfs/dbraw/zinc/17/77/52/805177752.db2.gz DZIXWCFZJPEMSH-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)CC(CC)CC)C2)C1 ZINC001148491896 805187907 /nfs/dbraw/zinc/18/79/07/805187907.db2.gz DYOLAJXDEFQISE-UHFFFAOYSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)CC(CC)CC)C2)C1 ZINC001148491896 805187911 /nfs/dbraw/zinc/18/79/11/805187911.db2.gz DYOLAJXDEFQISE-UHFFFAOYSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)CC[C@@H](C)CC)C2)C1 ZINC001148485291 805188040 /nfs/dbraw/zinc/18/80/40/805188040.db2.gz PXAJBSFIYAEJTG-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@](C)(CC)CCC)C2)C1 ZINC001148492567 805188231 /nfs/dbraw/zinc/18/82/31/805188231.db2.gz MFKACRHLMJOGAY-KRWDZBQOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H](C)[C@H](C)CC)C2)C1 ZINC001148502276 805191240 /nfs/dbraw/zinc/19/12/40/805191240.db2.gz WXOOIEHEANJDRO-HZPDHXFCSA-N 1 1 292.467 3.169 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](C(F)F)C2)c1F ZINC001249685765 805212124 /nfs/dbraw/zinc/21/21/24/805212124.db2.gz QQPKGJRBTYIYBB-LBPRGKRZSA-N 1 1 268.282 3.174 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](C(F)F)C2)c1F ZINC001249685765 805212129 /nfs/dbraw/zinc/21/21/29/805212129.db2.gz QQPKGJRBTYIYBB-LBPRGKRZSA-N 1 1 268.282 3.174 20 30 CGEDMO Cc1cc(Nc2ccc(Cl)c(F)c2C#N)c[nH+]c1N ZINC001249792452 805249423 /nfs/dbraw/zinc/24/94/23/805249423.db2.gz WGOCLPSLIVRVON-UHFFFAOYSA-N 1 1 276.702 3.380 20 30 CGEDMO Cc1cc(Nc2c(F)cc(C#N)cc2Cl)c[nH+]c1N ZINC001249791231 805249936 /nfs/dbraw/zinc/24/99/36/805249936.db2.gz VTARKEYJTTXDCV-UHFFFAOYSA-N 1 1 276.702 3.380 20 30 CGEDMO C=C(CC)C(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001150960496 805275056 /nfs/dbraw/zinc/27/50/56/805275056.db2.gz GFQDDCATOOIHSD-CVEARBPZSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1sccc1C ZINC001151643959 805303249 /nfs/dbraw/zinc/30/32/49/805303249.db2.gz IVYDIRGUAIWUGO-CYBMUJFWSA-N 1 1 280.437 3.073 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H]1C=CCC1 ZINC001151807303 805313508 /nfs/dbraw/zinc/31/35/08/805313508.db2.gz YCKSZXOLQIICNW-HZPDHXFCSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)/C=C(/C)C1CC1 ZINC001152135238 805335446 /nfs/dbraw/zinc/33/54/46/805335446.db2.gz XKDJJRKKJSAJRE-QKXCFHHRSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC(=O)NC[C@@H](C)[N@H+](CC)CC/C=C/CC ZINC001152313557 805344617 /nfs/dbraw/zinc/34/46/17/805344617.db2.gz QRIXEWMXIMZGNL-TUPIDYKKSA-N 1 1 266.429 3.136 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)CC1=CCCCC1 ZINC001152379482 805348474 /nfs/dbraw/zinc/34/84/74/805348474.db2.gz QREZRSFLILRGRG-OAHLLOKOSA-N 1 1 278.440 3.280 20 30 CGEDMO C#CCCCCC(=O)NC[C@@H](C)[N@@H+](CC)CCC(C)(C)C ZINC001152873325 805371428 /nfs/dbraw/zinc/37/14/28/805371428.db2.gz JBFSVTQYJRPQNL-MRXNPFEDSA-N 1 1 294.483 3.443 20 30 CGEDMO C#CCCCC(=O)NC[C@@H](C)[N@@H+](CC)CCCC1CCC1 ZINC001153024784 805380719 /nfs/dbraw/zinc/38/07/19/805380719.db2.gz DAXHWLBIVVHKEJ-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO CC[N@@H+](CC1CCCC1)[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001153260518 805390648 /nfs/dbraw/zinc/39/06/48/805390648.db2.gz WDHNNHDHTBMQQO-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H](C)[N@H+](CC)CCCCC ZINC001153625716 805408637 /nfs/dbraw/zinc/40/86/37/805408637.db2.gz FSSONWUQEVKZGH-OAHLLOKOSA-N 1 1 268.445 3.360 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)CC(F)F ZINC001153787772 805415846 /nfs/dbraw/zinc/41/58/46/805415846.db2.gz IRHXENIILLMRLJ-GFCCVEGCSA-N 1 1 290.398 3.071 20 30 CGEDMO CC[N@H+](CCC#N)Cc1cc(C)c(Br)cc1O ZINC001250128824 805432396 /nfs/dbraw/zinc/43/23/96/805432396.db2.gz LPFDBIYYUKWHND-UHFFFAOYSA-N 1 1 297.196 3.199 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1cc(C)c(Br)cc1O ZINC001250128824 805432401 /nfs/dbraw/zinc/43/24/01/805432401.db2.gz LPFDBIYYUKWHND-UHFFFAOYSA-N 1 1 297.196 3.199 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1c(C)oc(C)c1C ZINC001154225634 805442263 /nfs/dbraw/zinc/44/22/63/805442263.db2.gz WAQGPASYVCLCIZ-GFCCVEGCSA-N 1 1 292.423 3.221 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1ccc(C)c(F)c1 ZINC001154224879 805442682 /nfs/dbraw/zinc/44/26/82/805442682.db2.gz ACECQMFUOMUJHM-CQSZACIVSA-N 1 1 292.398 3.150 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H]1CC=CCC1 ZINC001154632550 805468554 /nfs/dbraw/zinc/46/85/54/805468554.db2.gz YACQHLRKGUODQI-HZPDHXFCSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)CCCC1CC1 ZINC001154737122 805481684 /nfs/dbraw/zinc/48/16/84/805481684.db2.gz VNJCMVWEIKZPJN-CYBMUJFWSA-N 1 1 286.847 3.146 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)CCCC1CC1 ZINC001154737122 805481688 /nfs/dbraw/zinc/48/16/88/805481688.db2.gz VNJCMVWEIKZPJN-CYBMUJFWSA-N 1 1 286.847 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)C1CC1 ZINC001154756794 805482671 /nfs/dbraw/zinc/48/26/71/805482671.db2.gz GKADHIHUHGAELK-GFCCVEGCSA-N 1 1 286.847 3.002 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)C1CC1 ZINC001154756794 805482676 /nfs/dbraw/zinc/48/26/76/805482676.db2.gz GKADHIHUHGAELK-GFCCVEGCSA-N 1 1 286.847 3.002 20 30 CGEDMO C=CC[NH+]1CCN(Cc2ccc(C)c(Cl)c2C)CC1 ZINC001250196038 805482611 /nfs/dbraw/zinc/48/26/11/805482611.db2.gz DCCOZTDFLYEMNQ-UHFFFAOYSA-N 1 1 278.827 3.260 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)CCC(=C)C ZINC001154750808 805482827 /nfs/dbraw/zinc/48/28/27/805482827.db2.gz BHAUKMWFJFZCEF-HZPDHXFCSA-N 1 1 280.456 3.382 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)C1(CCC)CC1 ZINC001155126582 805542379 /nfs/dbraw/zinc/54/23/79/805542379.db2.gz KLBPXBYQOSRQHY-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO Cc1[nH+]c(N2CCC3(CC(F)C3)CC2)ccc1CC#N ZINC001165309909 806992511 /nfs/dbraw/zinc/99/25/11/806992511.db2.gz MCGQJJNKAZYVHQ-UHFFFAOYSA-N 1 1 273.355 3.175 20 30 CGEDMO C[C@H]1COCC[N@H+]1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257016336 807027847 /nfs/dbraw/zinc/02/78/47/807027847.db2.gz AFCOJEPVMINHLF-NNGSBXSVSA-N 1 1 284.403 3.305 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H]1CC[C@H](C(=O)OCC)C1 ZINC001257066534 807040060 /nfs/dbraw/zinc/04/00/60/807040060.db2.gz ZFIBPDVYZJBEES-DLBZAZTESA-N 1 1 287.403 3.406 20 30 CGEDMO C=CCOC(=O)N[C@@H]1CCC[N@H+](C(CCC)CCC)C1 ZINC001257339386 807114714 /nfs/dbraw/zinc/11/47/14/807114714.db2.gz ONWYZLQKEIPNCS-CQSZACIVSA-N 1 1 282.428 3.332 20 30 CGEDMO C#C[C@@H]1CCCN(c2[nH+]ccc3cccc(C)c32)C1 ZINC001167008239 807128457 /nfs/dbraw/zinc/12/84/57/807128457.db2.gz VMYVKHQRPDOCAU-CQSZACIVSA-N 1 1 250.345 3.393 20 30 CGEDMO Cc1[nH+]c(N2CC3(C2)CCCCC3)ccc1CC#N ZINC001167179647 807163462 /nfs/dbraw/zinc/16/34/62/807163462.db2.gz GZDORKNTYHHBLE-UHFFFAOYSA-N 1 1 255.365 3.227 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(NCC(C)=O)cc1 ZINC001167631514 807220288 /nfs/dbraw/zinc/22/02/88/807220288.db2.gz CQSZOQVDXATJJO-INIZCTEOSA-N 1 1 258.365 3.010 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CC[C@H](C)[C@@H](O)CC3)C[C@H](C1)C2 ZINC001257892340 807242227 /nfs/dbraw/zinc/24/22/27/807242227.db2.gz XARVMWGOTQQVFN-REOARJMMSA-N 1 1 263.425 3.214 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3C[C@H](C)C[C@@H](C(=O)OC)C3)C[C@H](C1)C2 ZINC001257894908 807243481 /nfs/dbraw/zinc/24/34/81/807243481.db2.gz BXTQAZQRUDONSX-VDWCLKJHSA-N 1 1 291.435 3.252 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+](C)[C@H]3CCCN(C(C)=O)C3)C[C@H](C1)C2 ZINC001257893897 807243891 /nfs/dbraw/zinc/24/38/91/807243891.db2.gz CKJCIRVVLZPOKX-KTGAGVNESA-N 1 1 290.451 3.064 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCC[C@@H](C(=O)OCC)C3)C[C@H](C1)C2 ZINC001257895064 807244871 /nfs/dbraw/zinc/24/48/71/807244871.db2.gz IIVNERLPBMMVBN-LVYZTWJOSA-N 1 1 291.435 3.396 20 30 CGEDMO CC1(C#N)CC[NH+]([C@H]2COc3ccc(Cl)cc3C2)CC1 ZINC001257968760 807259373 /nfs/dbraw/zinc/25/93/73/807259373.db2.gz OSJMLQBBXUWDFO-CQSZACIVSA-N 1 1 290.794 3.269 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC001258046963 807274200 /nfs/dbraw/zinc/27/42/00/807274200.db2.gz GILPQKWVYBDQQN-SJORKVTESA-N 1 1 282.472 3.142 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1CCO[C@H](COC)C1 ZINC001258049516 807275353 /nfs/dbraw/zinc/27/53/53/807275353.db2.gz JULPCABERVUVQL-CABCVRRESA-N 1 1 257.418 3.083 20 30 CGEDMO CCCCCCCCCCC[C@H](C)[NH2+]C[C@H](O)CN ZINC001258052909 807279146 /nfs/dbraw/zinc/27/91/46/807279146.db2.gz VJDDGCCJAVXMKH-JKSUJKDBSA-N 1 1 272.477 3.205 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@@H]1C[C@H](OCCCC)C1(C)C ZINC001167960128 807285466 /nfs/dbraw/zinc/28/54/66/807285466.db2.gz SGOGGIAEEFTIRE-XHSDSOJGSA-N 1 1 283.456 3.229 20 30 CGEDMO C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@@H]1CCO[C@H](C)C1 ZINC001168130560 807317319 /nfs/dbraw/zinc/31/73/19/807317319.db2.gz HBSUQUSGNNSTHM-QGPMSJSTSA-N 1 1 269.388 3.177 20 30 CGEDMO C=CC[NH+](CC=C)C1CCN(CCc2ccccc2)CC1 ZINC001258146416 807320023 /nfs/dbraw/zinc/32/00/23/807320023.db2.gz WYGDGSIWMCFHJY-UHFFFAOYSA-N 1 1 284.447 3.368 20 30 CGEDMO C[C@H](Cc1cccc(F)c1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC001168492380 807434356 /nfs/dbraw/zinc/43/43/56/807434356.db2.gz RBPWRLZXYFQAJB-KGLIPLIRSA-N 1 1 260.356 3.382 20 30 CGEDMO C=CCc1cc(C)c[nH+]c1NC1CCC(OC)CC1 ZINC001168603320 807454973 /nfs/dbraw/zinc/45/49/73/807454973.db2.gz HESWZXDSCWEGOF-UHFFFAOYSA-N 1 1 260.381 3.488 20 30 CGEDMO C=CCOC[C@]12CCCO[C@H]1CC[N@H+]([C@@H](C)CC1CC1)C2 ZINC001258461406 807464469 /nfs/dbraw/zinc/46/44/69/807464469.db2.gz PAUJJKCGATZTOI-RYQLBKOJSA-N 1 1 293.451 3.249 20 30 CGEDMO N#CC[C@H]1CCC[N@H+]([C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168733904 807498442 /nfs/dbraw/zinc/49/84/42/807498442.db2.gz DDRBKMWZNVDSBY-TZMCWYRMSA-N 1 1 274.795 3.433 20 30 CGEDMO CC1(C)CC[C@H]([N@H+]2CCCN(c3ccc(C#N)cn3)CC2)C1 ZINC001258605198 807502465 /nfs/dbraw/zinc/50/24/65/807502465.db2.gz QTIRGRMXRJNTEY-INIZCTEOSA-N 1 1 298.434 3.044 20 30 CGEDMO COC(=O)C1(C)CCC([N@@H+](CCC#N)C2CCCC2)CC1 ZINC001168791605 807513930 /nfs/dbraw/zinc/51/39/30/807513930.db2.gz YUAJZJUREYHLRG-UHFFFAOYSA-N 1 1 292.423 3.267 20 30 CGEDMO C=CCC[C@H](C)[NH2+][C@@H](CC(C)C)C(=O)OCC=C ZINC001258718230 807567860 /nfs/dbraw/zinc/56/78/60/807567860.db2.gz KFTKKWKRYSIWKN-KBPBESRZSA-N 1 1 253.386 3.075 20 30 CGEDMO C=CCC[C@H](C)[NH2+]C1(C(=O)OC)CCC(CC)CC1 ZINC001258721064 807568615 /nfs/dbraw/zinc/56/86/15/807568615.db2.gz LZUDSDNMYIILDQ-HLIUYOAVSA-N 1 1 267.413 3.443 20 30 CGEDMO C=CCC[C@@H](C)N[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001258720006 807569072 /nfs/dbraw/zinc/56/90/72/807569072.db2.gz OOFSBZYSGASUBX-RISCZKNCSA-N 1 1 297.240 3.393 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCC[C@@](C)(C(=O)OCC)C1 ZINC001258725792 807573779 /nfs/dbraw/zinc/57/37/79/807573779.db2.gz NFFYBLXLUSQKFB-GDBMZVCRSA-N 1 1 267.413 3.396 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCn2cnc(COCC=C)c2C1 ZINC001258727159 807575207 /nfs/dbraw/zinc/57/52/07/807575207.db2.gz FSZBQDSXHHUABN-OAHLLOKOSA-N 1 1 289.423 3.146 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC001258730769 807577567 /nfs/dbraw/zinc/57/75/67/807577567.db2.gz NPTQTMRXRFCCOU-HOTGVXAUSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@H]1N(C)C(=O)OC(C)(C)C ZINC001258733587 807579020 /nfs/dbraw/zinc/57/90/20/807579020.db2.gz JEBRNZVKCVVXRI-STQMWFEESA-N 1 1 268.401 3.240 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1N(C)C(=O)OC(C)(C)C ZINC001258733587 807579024 /nfs/dbraw/zinc/57/90/24/807579024.db2.gz JEBRNZVKCVVXRI-STQMWFEESA-N 1 1 268.401 3.240 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCN2CCc3ccccc3[C@H]2C1 ZINC001258733032 807579173 /nfs/dbraw/zinc/57/91/73/807579173.db2.gz UJTXBFZMHHHYBS-MAUKXSAKSA-N 1 1 270.420 3.256 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1Cc2ccc(C(=O)OC)cc2C1 ZINC001258733734 807579186 /nfs/dbraw/zinc/57/91/86/807579186.db2.gz MMBJTOLSCCIJDT-LBPRGKRZSA-N 1 1 259.349 3.144 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](Oc2cccnc2)C1 ZINC001258734759 807580807 /nfs/dbraw/zinc/58/08/07/807580807.db2.gz ISIWZVBHVKMADI-GOEBONIOSA-N 1 1 260.381 3.280 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCOC[C@H]1CCC(=O)OC(C)(C)C ZINC001258736311 807582326 /nfs/dbraw/zinc/58/23/26/807582326.db2.gz QSKSLAWZOMDRMU-HUUCEWRRSA-N 1 1 297.439 3.164 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC001258735770 807582431 /nfs/dbraw/zinc/58/24/31/807582431.db2.gz BLCBWVSVVAWLPJ-USXIJHARSA-N 1 1 287.403 3.230 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+](C)[C@H](CO)CC(C)C ZINC001169474995 807648467 /nfs/dbraw/zinc/64/84/67/807648467.db2.gz WZQLKIPCNGLGMO-INIZCTEOSA-N 1 1 274.408 3.014 20 30 CGEDMO COc1ccccc1C[C@H](C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC001258891871 807666554 /nfs/dbraw/zinc/66/65/54/807666554.db2.gz GNYHIMROJVJBBE-GJZGRUSLSA-N 1 1 272.392 3.252 20 30 CGEDMO CCCNc1cc[nH+]c(NC23CCC(C#N)(CC2)CC3)n1 ZINC001169743687 807701662 /nfs/dbraw/zinc/70/16/62/807701662.db2.gz LAULWDKMTGPVBA-UHFFFAOYSA-N 1 1 285.395 3.327 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cc3c(ccnc3Cl)o2)C1 ZINC001262010589 807805467 /nfs/dbraw/zinc/80/54/67/807805467.db2.gz JZKKMLODNARFJX-LLVKDONJSA-N 1 1 292.766 3.258 20 30 CGEDMO C[N@H+]1CCCC[C@@H]1c1ccc(NCC(C)(C)S)nc1 ZINC001170305332 807823024 /nfs/dbraw/zinc/82/30/24/807823024.db2.gz WSFSRRWPXICLMD-CYBMUJFWSA-N 1 1 279.453 3.359 20 30 CGEDMO CN1CC[C@@H]([N@@H+](C)C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170389664 807834765 /nfs/dbraw/zinc/83/47/65/807834765.db2.gz YCRWVPBJHXYDSW-JLAWEPINSA-N 1 1 297.446 3.026 20 30 CGEDMO C=CC[C@H]1[N@H+](C[C@H]2CCC3(COC3)O2)CCCC1(C)C ZINC001262276997 807845987 /nfs/dbraw/zinc/84/59/87/807845987.db2.gz VLOPWTPKUSPLKD-HUUCEWRRSA-N 1 1 279.424 3.001 20 30 CGEDMO C[Si](C)(C)C#C[N@@H+](CCN)C12CC3CC(CC(C3)C1)C2 ZINC001170624236 807867238 /nfs/dbraw/zinc/86/72/38/807867238.db2.gz FJORDIJVQJKRJU-UHFFFAOYSA-N 1 1 290.527 3.054 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@@H]2CCc3cccc(F)c3C2)C1 ZINC001171002223 807956524 /nfs/dbraw/zinc/95/65/24/807956524.db2.gz SUFIRTHIUBIFIB-UKRRQHHQSA-N 1 1 257.352 3.028 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)CCc1cccnc1 ZINC001171224050 808012350 /nfs/dbraw/zinc/01/23/50/808012350.db2.gz PFXYJEIWNAGMLA-HNNXBMFYSA-N 1 1 279.387 3.059 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC001171223256 808012818 /nfs/dbraw/zinc/01/28/18/808012818.db2.gz LQEXQKUBKXKHEZ-WQVCFCJDSA-N 1 1 254.377 3.077 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@@H+](C/C=C\Cl)[C@@H]1CC ZINC001264060448 808031337 /nfs/dbraw/zinc/03/13/37/808031337.db2.gz BOUCSLNUOIRBOW-AYXINGSMSA-N 1 1 298.858 3.310 20 30 CGEDMO C=CCCC(=O)N1C[C@@H]2C[N@@H+](CCC(C)(C)C)CC[C@@H]2C1 ZINC001264084308 808033941 /nfs/dbraw/zinc/03/39/41/808033941.db2.gz HNNDAFZYDXMAEJ-CVEARBPZSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(F)s2)[C@H]1C ZINC001264176651 808042796 /nfs/dbraw/zinc/04/27/96/808042796.db2.gz JUKXMKMOXVPUIJ-NEPJUHHUSA-N 1 1 296.411 3.046 20 30 CGEDMO CCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C#CC(C)(C)C ZINC001264182172 808044095 /nfs/dbraw/zinc/04/40/95/808044095.db2.gz IJGGNYRGWXIMRN-INIZCTEOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[N@H+](CC)CC(C)(C)C1 ZINC001264195230 808047318 /nfs/dbraw/zinc/04/73/18/808047318.db2.gz OPCZIXMJVQHXLG-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)CC=C ZINC001264373766 808062861 /nfs/dbraw/zinc/06/28/61/808062861.db2.gz YSWJMEFCKSGUSG-CVEARBPZSA-N 1 1 292.467 3.476 20 30 CGEDMO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](CCCCC)CC[C@@H]2C1 ZINC001264648762 808083191 /nfs/dbraw/zinc/08/31/91/808083191.db2.gz CVJIPAPYUZGWSZ-CVEARBPZSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CCC(=O)N1C[C@@H]2C[N@@H+](CCCCC)CC[C@@H]2C1 ZINC001264644837 808083247 /nfs/dbraw/zinc/08/32/47/808083247.db2.gz AADIZNYKIADIGT-SJORKVTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CC(C)(C)CC ZINC001264740141 808090391 /nfs/dbraw/zinc/09/03/91/808090391.db2.gz GFMAHYBGMVWRQF-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1ccoc1 ZINC001264737976 808090698 /nfs/dbraw/zinc/09/06/98/808090698.db2.gz OWEHELVXBSRPMW-INIZCTEOSA-N 1 1 290.407 3.172 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@@H]2CCc3c(C)cccc3C2)C1 ZINC001171573388 808101306 /nfs/dbraw/zinc/10/13/06/808101306.db2.gz HLFXSDFECVQWFG-DOTOQJQBSA-N 1 1 253.389 3.198 20 30 CGEDMO C=C1CC(C)(C(=O)NCCC[N@H+](C)CC(CC)CC)C1 ZINC001265033478 808104919 /nfs/dbraw/zinc/10/49/19/808104919.db2.gz GMSONSQWJFGRJL-UHFFFAOYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)CCC2CCCCCC2)C1 ZINC001265295202 808126701 /nfs/dbraw/zinc/12/67/01/808126701.db2.gz RIZQUOKONRXZTF-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C[C@@H]1C[C@H](NC2(C#N)CCCC2)C[N@H+]1Cc1ccccc1 ZINC001171730851 808127452 /nfs/dbraw/zinc/12/74/52/808127452.db2.gz ZOXZGEJBZUPXPS-WBVHZDCISA-N 1 1 283.419 3.075 20 30 CGEDMO CCC(C#N)(CC)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171739356 808129247 /nfs/dbraw/zinc/12/92/47/808129247.db2.gz CBMMRMSPXSBDSB-RDJZCZTQSA-N 1 1 285.435 3.321 20 30 CGEDMO N#Cc1cccc([C@H](O)C[N@H+]2CCCC[C@H]2C2CCC2)c1 ZINC001171751148 808131501 /nfs/dbraw/zinc/13/15/01/808131501.db2.gz IECIFWZAYBZPIS-ZWKOTPCHSA-N 1 1 284.403 3.246 20 30 CGEDMO C[C@@H]1C[C@H](N2CCC(S)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171761585 808132105 /nfs/dbraw/zinc/13/21/05/808132105.db2.gz DLPSLLDYPCFFNJ-ZBFHGGJFSA-N 1 1 290.476 3.044 20 30 CGEDMO C[C@@H]1C[C@H](N2CCC(S)CC2)C[N@H+]1Cc1ccccc1 ZINC001171761585 808132110 /nfs/dbraw/zinc/13/21/10/808132110.db2.gz DLPSLLDYPCFFNJ-ZBFHGGJFSA-N 1 1 290.476 3.044 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C)CC)C1 ZINC001265384279 808137586 /nfs/dbraw/zinc/13/75/86/808137586.db2.gz FQBSPBYAIAUSRV-JKSUJKDBSA-N 1 1 280.456 3.169 20 30 CGEDMO CC1(C)C[C@@H]([NH2+]C2CC(C#N)C2)CCN1Cc1ccccc1 ZINC001171975053 808163903 /nfs/dbraw/zinc/16/39/03/808163903.db2.gz BYWLCOXDHYJRHM-ADKAHSJRSA-N 1 1 297.446 3.321 20 30 CGEDMO CC1(C)C[C@@H](NC2CC(C#N)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171975053 808163906 /nfs/dbraw/zinc/16/39/06/808163906.db2.gz BYWLCOXDHYJRHM-ADKAHSJRSA-N 1 1 297.446 3.321 20 30 CGEDMO CC1(C)C[C@@H](NC2CC(C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC001171975053 808163908 /nfs/dbraw/zinc/16/39/08/808163908.db2.gz BYWLCOXDHYJRHM-ADKAHSJRSA-N 1 1 297.446 3.321 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccoc2)C1 ZINC001265696978 808170379 /nfs/dbraw/zinc/17/03/79/808170379.db2.gz NAGOLQZYCKVREO-CABCVRRESA-N 1 1 290.407 3.076 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C/C=C\Cl)C1 ZINC001265705857 808172370 /nfs/dbraw/zinc/17/23/70/808172370.db2.gz NWLKGIFFOMSWLI-TXKQXAOOSA-N 1 1 298.858 3.168 20 30 CGEDMO CCCCCCCC[N@@H+](C)C1C[C@@H]2COC[C@H](C1)N2C ZINC001172139524 808187916 /nfs/dbraw/zinc/18/79/16/808187916.db2.gz ORGZZGFKWYPNOT-ALOPSCKCSA-N 1 1 282.472 3.140 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]([N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001266093400 808209149 /nfs/dbraw/zinc/20/91/49/808209149.db2.gz GPQGCVVMVDVDCE-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC001266088500 808209188 /nfs/dbraw/zinc/20/91/88/808209188.db2.gz ZLRUDCDHRMOCPM-INIZCTEOSA-N 1 1 280.456 3.290 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)CCCC)C1 ZINC001266090500 808209688 /nfs/dbraw/zinc/20/96/88/808209688.db2.gz LNMVVUVBOUBWJQ-HZPDHXFCSA-N 1 1 280.456 3.454 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)CC(C)=C(C)C)C1 ZINC001266107373 808212966 /nfs/dbraw/zinc/21/29/66/808212966.db2.gz BOBHOEQEMUCPEU-INIZCTEOSA-N 1 1 278.440 3.232 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC001172307202 808221644 /nfs/dbraw/zinc/22/16/44/808221644.db2.gz MYQSXYWJXWNBFG-HNAYVOBHSA-N 1 1 291.398 3.374 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)[C@@]1(C)CC=C(C)CC1)C1CC1 ZINC001266174650 808222851 /nfs/dbraw/zinc/22/28/51/808222851.db2.gz PFPHGSDUNMDUMI-SFHVURJKSA-N 1 1 290.451 3.280 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@H](C)CC12CC2 ZINC001172311266 808223189 /nfs/dbraw/zinc/22/31/89/808223189.db2.gz RDPJSGGMUCIHNM-KGLIPLIRSA-N 1 1 254.377 3.364 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H](COCC2CC2)C1 ZINC001172311176 808223502 /nfs/dbraw/zinc/22/35/02/808223502.db2.gz QGVZFMMTZFLTLC-DNVCBOLYSA-N 1 1 298.430 3.238 20 30 CGEDMO CCC[N@H+](CCCN(C)C)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172312759 808224313 /nfs/dbraw/zinc/22/43/13/808224313.db2.gz JAKZITFOAZRRBX-MRXNPFEDSA-N 1 1 287.451 3.153 20 30 CGEDMO CCC[N@@H+](CCCN(C)C)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172312759 808224317 /nfs/dbraw/zinc/22/43/17/808224317.db2.gz JAKZITFOAZRRBX-MRXNPFEDSA-N 1 1 287.451 3.153 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)CC1CC(F)(F)C1 ZINC001172318310 808227975 /nfs/dbraw/zinc/22/79/75/808227975.db2.gz DVKSSDMKTRHFHR-GFCCVEGCSA-N 1 1 278.346 3.466 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H](CF)C1 ZINC001172318315 808228007 /nfs/dbraw/zinc/22/80/07/808228007.db2.gz DZMXBJXDMQCPEA-BBRMVZONSA-N 1 1 260.356 3.171 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)C[C@@H]1CC1(C)C ZINC001172319572 808229228 /nfs/dbraw/zinc/22/92/28/808229228.db2.gz OXBCVXSMCNMCJE-BBRMVZONSA-N 1 1 256.393 3.467 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CCC[N@H+](CCCC(C)C)C1 ZINC001266236409 808230782 /nfs/dbraw/zinc/23/07/82/808230782.db2.gz HSPFDMNKGWCXAY-INIZCTEOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](NC(=O)C2(CC=C)CCCCC2)C1 ZINC001266252692 808233634 /nfs/dbraw/zinc/23/36/34/808233634.db2.gz YOUKVCBKPAHKER-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC[N@H+](C)[C@H](C)c1ccccc1 ZINC001266306614 808239608 /nfs/dbraw/zinc/23/96/08/808239608.db2.gz ZIQSUAHLDDENFX-OAHLLOKOSA-N 1 1 288.435 3.398 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001266314975 808242028 /nfs/dbraw/zinc/24/20/28/808242028.db2.gz NEOVMLDRJBHUNC-HIFRSBDPSA-N 1 1 294.414 3.329 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)C2CCC(C)(C)CC2)C1 ZINC001266361373 808248016 /nfs/dbraw/zinc/24/80/16/808248016.db2.gz LYQGNWSOMRFLGZ-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCCCCC[C@H](CC)[N@@H+]1CCC(=O)N(C)CC1 ZINC001172355015 808250566 /nfs/dbraw/zinc/25/05/66/808250566.db2.gz LRWKRIWOZNKJDL-HNNXBMFYSA-N 1 1 268.445 3.290 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)C=C2CCC2)C1 ZINC001266453073 808267115 /nfs/dbraw/zinc/26/71/15/808267115.db2.gz XGBJPRTWWBMMQO-KRWDZBQOSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)CC2CC2)C1 ZINC001266448544 808267894 /nfs/dbraw/zinc/26/78/94/808267894.db2.gz PXPGCWDQICCDNC-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1CCC[N@@H+]1C[C@@H](C)CC ZINC001266464516 808270210 /nfs/dbraw/zinc/27/02/10/808270210.db2.gz BRMQYTRUTHGBFW-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](CC)CCC)C1 ZINC001266469292 808270829 /nfs/dbraw/zinc/27/08/29/808270829.db2.gz IYIYHWVVFLCBCS-IRXDYDNUSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@H]2CCC[N@@H+]2CC/C=C\CC)C1 ZINC001266482573 808274241 /nfs/dbraw/zinc/27/42/41/808274241.db2.gz DPFMWDDLCALUOC-OGZRUICASA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H](C)CC ZINC001266496661 808276906 /nfs/dbraw/zinc/27/69/06/808276906.db2.gz VHPUTYCQOQTJDU-YESZJQIVSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001266533291 808281974 /nfs/dbraw/zinc/28/19/74/808281974.db2.gz HQKFKYGKGCQDBY-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CCNC(=O)[C@@]1(C)C=CCC1)C1CC1 ZINC001266606941 808294989 /nfs/dbraw/zinc/29/49/89/808294989.db2.gz JQLJAENOTJJLNY-YJBOKZPZSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)c1ccc(C)c(C)c1)C1CC1 ZINC001266619416 808298233 /nfs/dbraw/zinc/29/82/33/808298233.db2.gz LYHATQDNNNAZPN-UHFFFAOYSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](CC[C@@H](C)F)C1 ZINC001266764264 808314664 /nfs/dbraw/zinc/31/46/64/808314664.db2.gz NUIIWCFDBZFRKS-CABCVRRESA-N 1 1 298.446 3.165 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H](C)CCC ZINC001266836988 808322320 /nfs/dbraw/zinc/32/23/20/808322320.db2.gz GPEVOHDKJOMLQC-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CCCCCC(=O)NC[C@@H]1CCCC[N@@H+]1CC=C(C)C ZINC001266839903 808322653 /nfs/dbraw/zinc/32/26/53/808322653.db2.gz LDUOFUMRBLZHJX-KRWDZBQOSA-N 1 1 290.451 3.117 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)CC[C@H](C)CC ZINC001266855655 808324719 /nfs/dbraw/zinc/32/47/19/808324719.db2.gz DSORMSOCFYBEKB-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@H]2CCCC[N@@H+]2C[C@H](C)CC)C1 ZINC001266856424 808324977 /nfs/dbraw/zinc/32/49/77/808324977.db2.gz QUEYXGSORBVSCI-GDBMZVCRSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)C(C)C)C1 ZINC001266891697 808331228 /nfs/dbraw/zinc/33/12/28/808331228.db2.gz QOOURLUYEWNDJG-JKSUJKDBSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccco2)C1 ZINC001266889167 808331303 /nfs/dbraw/zinc/33/13/03/808331303.db2.gz IHODYGREWGOLKG-LSDHHAIUSA-N 1 1 290.407 3.076 20 30 CGEDMO C#CCCCC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](CCC(C)C)C1 ZINC001266891834 808331526 /nfs/dbraw/zinc/33/15/26/808331526.db2.gz LFRYNLQTOKLVJT-DLBZAZTESA-N 1 1 292.467 3.053 20 30 CGEDMO C[C@H](CCCC#N)[N@@H+](CCN(C)C)Cc1ccccc1 ZINC001172492038 808352561 /nfs/dbraw/zinc/35/25/61/808352561.db2.gz PVXGCUYYTQCINV-MRXNPFEDSA-N 1 1 273.424 3.133 20 30 CGEDMO C[C@H](CCCC#N)N(CC[NH+](C)C)Cc1ccccc1 ZINC001172492038 808352566 /nfs/dbraw/zinc/35/25/66/808352566.db2.gz PVXGCUYYTQCINV-MRXNPFEDSA-N 1 1 273.424 3.133 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001172496499 808353103 /nfs/dbraw/zinc/35/31/03/808353103.db2.gz NAZRLOUDDWMROY-AWEZNQCLSA-N 1 1 295.427 3.012 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)C2CCC2)C1 ZINC001267108811 808359329 /nfs/dbraw/zinc/35/93/29/808359329.db2.gz QYKFOFXDFCULCE-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO COc1cc2c(cc1OC)C[N@H+]([C@H](C)CCCC#N)CC2 ZINC001172506887 808362311 /nfs/dbraw/zinc/36/23/11/808362311.db2.gz LGTVIAYWACXPJN-CYBMUJFWSA-N 1 1 288.391 3.144 20 30 CGEDMO COc1cccc2c1CC[N@H+]([C@H](C)CCCC#N)C2 ZINC001172510281 808365765 /nfs/dbraw/zinc/36/57/65/808365765.db2.gz YZSOEZQMTHPSDS-CYBMUJFWSA-N 1 1 258.365 3.136 20 30 CGEDMO C=C(C)CC[N@H+](C)CCNC(=O)[C@@H]1CCCC[C@H]1CC ZINC001267224345 808387156 /nfs/dbraw/zinc/38/71/56/808387156.db2.gz CKCDGJJSNYUQBN-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@H+](CCCNC(=O)C1CCCC1)C(C)C ZINC001267228341 808388475 /nfs/dbraw/zinc/38/84/75/808388475.db2.gz ODIBIYPXJPAWMA-UHFFFAOYSA-N 1 1 280.456 3.360 20 30 CGEDMO CC#CCCCC(=O)NCC[N@H+](CC)CCC(C)(C)C ZINC001267248470 808394105 /nfs/dbraw/zinc/39/41/05/808394105.db2.gz CKICQQHEQHQZRR-UHFFFAOYSA-N 1 1 280.456 3.054 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)c1csc(Cl)c1 ZINC001267249968 808395087 /nfs/dbraw/zinc/39/50/87/808395087.db2.gz ANJPOVSLNANJEB-UHFFFAOYSA-N 1 1 286.828 3.029 20 30 CGEDMO C=CCC[N@H+](CC)CCNC(=O)[C@H]1CCCC[C@@H]1CC ZINC001267253489 808397395 /nfs/dbraw/zinc/39/73/95/808397395.db2.gz MWFOVKOJOYOFNE-HOTGVXAUSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCCC[N@H+](C)[C@@H]1CCC[C@@H](C(=O)OC)C1 ZINC001172625680 808405474 /nfs/dbraw/zinc/40/54/74/808405474.db2.gz XDFOUCMLQQOZMN-ZIAGYGMSSA-N 1 1 253.386 3.006 20 30 CGEDMO C#CC[N@H+](CCCNC(=O)C1CCCCCCC1)C(C)C ZINC001267295225 808407382 /nfs/dbraw/zinc/40/73/82/808407382.db2.gz SGQORHZNCCOTEH-UHFFFAOYSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)CC[N@@H+](CCC)CCNC(=O)c1ccc(F)cc1 ZINC001267309031 808410299 /nfs/dbraw/zinc/41/02/99/808410299.db2.gz DWSXPDHTTKHDSQ-UHFFFAOYSA-N 1 1 292.398 3.234 20 30 CGEDMO C=CCC[N@@H+](CCC)CCNC(=O)c1cc(F)ccc1C ZINC001267316472 808412409 /nfs/dbraw/zinc/41/24/09/808412409.db2.gz QZSCKUKBXNZDLB-UHFFFAOYSA-N 1 1 292.398 3.152 20 30 CGEDMO C=C(C)C[N@H+](CCNC(=O)[C@]1(C)CCC[C@@H]1CC)C1CC1 ZINC001267328487 808415894 /nfs/dbraw/zinc/41/58/94/808415894.db2.gz XUESYXYKNJTSMD-MAUKXSAKSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)[C@H]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC001267337624 808417562 /nfs/dbraw/zinc/41/75/62/808417562.db2.gz CHSYPVAZLCXHGZ-ZSHCYNCHSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N(CCC)[C@@H]1CC[N@@H+](CCC)C1 ZINC001267473795 808431112 /nfs/dbraw/zinc/43/11/12/808431112.db2.gz FGWJUQLJWUKSOS-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO CC(C)OC(=O)CC[C@H](C)[N@@H+](CCC#N)C1CCCC1 ZINC001172758508 808432422 /nfs/dbraw/zinc/43/24/22/808432422.db2.gz APFJIRKTBAJGGE-AWEZNQCLSA-N 1 1 280.412 3.265 20 30 CGEDMO C#CCC[N@H+](CCCNC(=O)c1ccc(C=C)cc1)C(C)C ZINC001267509497 808436479 /nfs/dbraw/zinc/43/64/79/808436479.db2.gz UXDOEXWVJDKUDG-UHFFFAOYSA-N 1 1 298.430 3.183 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)C2CC=CC2)C1 ZINC001267513514 808436661 /nfs/dbraw/zinc/43/66/61/808436661.db2.gz KQKOLNTZTDQSSH-CVEARBPZSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCCC(=O)N(CCC)[C@@H]1CC[N@@H+](CC2CC(C)C2)C1 ZINC001267540321 808442107 /nfs/dbraw/zinc/44/21/07/808442107.db2.gz YFIINJMSHAFTFW-OFLPRAFFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](N(CCC)C(=O)CC)C1 ZINC001267538752 808442826 /nfs/dbraw/zinc/44/28/26/808442826.db2.gz KIHPOQSXZWIFRL-GJZGRUSLSA-N 1 1 266.429 3.064 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCC[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001267565488 808448141 /nfs/dbraw/zinc/44/81/41/808448141.db2.gz NVDVXYJNBMFNJB-SJLPKXTDSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCN(C(=O)C2(CC)CC2)C1 ZINC001267588711 808452791 /nfs/dbraw/zinc/45/27/91/808452791.db2.gz IMCKXRKDMZHCMP-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H](C[N@@H+](C)CCC2CC2)C1 ZINC001267587138 808453275 /nfs/dbraw/zinc/45/32/75/808453275.db2.gz HIGMVJVUZUMFBI-MRXNPFEDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CCNC(=O)c2ccc(C)cc2)C1 ZINC001267594997 808454725 /nfs/dbraw/zinc/45/47/25/808454725.db2.gz ONGRCOGNFIRABC-INIZCTEOSA-N 1 1 286.419 3.013 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](CCC)CC(C)C)C1 ZINC001267597651 808455758 /nfs/dbraw/zinc/45/57/58/808455758.db2.gz ZHLPINBLXXMASF-DLBZAZTESA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCC[N@H+](C)CC1CCN(C(=O)C[C@H]2C=CCC2)CC1 ZINC001267597462 808455911 /nfs/dbraw/zinc/45/59/11/808455911.db2.gz ARPAOPPLTYFKNX-INIZCTEOSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C=C(CC)CC)C1 ZINC001267611807 808456671 /nfs/dbraw/zinc/45/66/71/808456671.db2.gz KPJRNESAUULAAN-MRXNPFEDSA-N 1 1 278.440 3.280 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC001267628051 808461239 /nfs/dbraw/zinc/46/12/39/808461239.db2.gz MQFRXPJHNOUTHB-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)C[C@H](CC)C(C)C)C1 ZINC001267702946 808474867 /nfs/dbraw/zinc/47/48/67/808474867.db2.gz KIJATZIVVVUNIY-SJORKVTESA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001267744769 808481697 /nfs/dbraw/zinc/48/16/97/808481697.db2.gz ZHANDJIJHFMYSH-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001267750232 808482379 /nfs/dbraw/zinc/48/23/79/808482379.db2.gz ZXKQIZFMCSPOKG-SJLPKXTDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)CCC=C(C)C)C1 ZINC001267748949 808483092 /nfs/dbraw/zinc/48/30/92/808483092.db2.gz FFLQOZLUAGIIBK-HZPDHXFCSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@H+](C)CC1CCN(C(=O)[C@]2(C)CCC[C@@H]2C)CC1 ZINC001267745770 808483453 /nfs/dbraw/zinc/48/34/53/808483453.db2.gz FGCLXSONFZDSCM-MAUKXSAKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC(C)(C)CC(=O)N(C)[C@@H]1CC[N@H+](CC/C=C/CC)C1 ZINC001267764008 808486742 /nfs/dbraw/zinc/48/67/42/808486742.db2.gz QOTGHWHVQCPWEM-ROJDOSBLSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC23CC3)C1 ZINC001267774577 808488950 /nfs/dbraw/zinc/48/89/50/808488950.db2.gz XPBGHPXDRVERQM-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H](C)CC(C)C)C1 ZINC001267778227 808490763 /nfs/dbraw/zinc/49/07/63/808490763.db2.gz YAYGXVNYWJUBAA-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)CCC(=O)N(CC)[C@H]1CC[N@@H+](CC2CC(C)C2)C1 ZINC001267787022 808491342 /nfs/dbraw/zinc/49/13/42/808491342.db2.gz UGAKWDIOZKXDTP-JCYILVPMSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CCCCCCC(=O)N[C@H]1CCC[N@H+](CCC(=C)C)C1 ZINC001268216821 808559849 /nfs/dbraw/zinc/55/98/49/808559849.db2.gz QXVLGUUDJJTTPB-KRWDZBQOSA-N 1 1 290.451 3.117 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCCC)CC[C@H]21 ZINC001268264626 808573150 /nfs/dbraw/zinc/57/31/50/808573150.db2.gz UUANXKBRADTDKN-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO CC[C@@H]1CC[C@@H]([N@H+]2CCc3cc(C#N)ccc3C2)C1 ZINC001173275028 808578735 /nfs/dbraw/zinc/57/87/35/808578735.db2.gz SMZZGMPZFRRESM-CXAGYDPISA-N 1 1 254.377 3.495 20 30 CGEDMO C=CCOC1CCC([N@H+]2CCOc3ccccc3C2)CC1 ZINC001173319915 808610190 /nfs/dbraw/zinc/61/01/90/808610190.db2.gz ARVLYFVRYTZMAH-UHFFFAOYSA-N 1 1 287.403 3.395 20 30 CGEDMO C=CCOC1CCC([N@H+]2Cc3cnc(C)cc3C2)CC1 ZINC001173323024 808611070 /nfs/dbraw/zinc/61/10/70/808611070.db2.gz BHJPWGJVRLOAPW-UHFFFAOYSA-N 1 1 272.392 3.219 20 30 CGEDMO C=CCOC1CCC([N@H+]2CC[C@H](c3cccnc3)C2)CC1 ZINC001173327355 808612467 /nfs/dbraw/zinc/61/24/67/808612467.db2.gz MBGMDPKKJYXGQM-AOCRQIFASA-N 1 1 286.419 3.385 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)c1cccc(Cl)c1C ZINC001268731367 808617307 /nfs/dbraw/zinc/61/73/07/808617307.db2.gz NENNBQDALFYWRT-GFCCVEGCSA-N 1 1 294.826 3.275 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H](C)C[N@H+](C)C[C@H](C)CC(C)C ZINC001268741177 808619910 /nfs/dbraw/zinc/61/99/10/808619910.db2.gz PCGHXVHPVYCRKD-HUUCEWRRSA-N 1 1 282.472 3.317 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)C1(CC(C)C)CCC1 ZINC001268739218 808620348 /nfs/dbraw/zinc/62/03/48/808620348.db2.gz XYIDAVWOYFWOTO-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC1(CC(=O)N[C@H](C)C[N@@H+](C)CC2CC2)CCCCC1 ZINC001268751184 808624184 /nfs/dbraw/zinc/62/41/84/808624184.db2.gz RVXPDFXSMRTZJY-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)CC(C)(C)C ZINC001268758508 808625166 /nfs/dbraw/zinc/62/51/66/808625166.db2.gz WLEFVRGVSNVFTC-CQSZACIVSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)/C=C(/C)C2CC2)C1 ZINC001269005145 808641203 /nfs/dbraw/zinc/64/12/03/808641203.db2.gz GLUKKEFQXQOFDD-REZBVGGZSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C[C@H](C(=O)N[C@H]1CC[N@H+](CC=C(C)C)C1)c1ccccc1 ZINC001269091891 808647063 /nfs/dbraw/zinc/64/70/63/808647063.db2.gz BNXXXIUHBLAGRA-ROUUACIJSA-N 1 1 298.430 3.113 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)CCCC2CCCC2)C1 ZINC001269096878 808647574 /nfs/dbraw/zinc/64/75/74/808647574.db2.gz GGQIWPVUMTTZKY-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CC[C@@H](c3ccncc3)C2)CC1 ZINC001173595934 808649453 /nfs/dbraw/zinc/64/94/53/808649453.db2.gz CECAEJLZFDVTAX-KLAILNCOSA-N 1 1 269.392 3.343 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001269159773 808651928 /nfs/dbraw/zinc/65/19/28/808651928.db2.gz VTECBULHMQRWSF-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CCC(=C)C)C1 ZINC001269245588 808659292 /nfs/dbraw/zinc/65/92/92/808659292.db2.gz JOVMADBJGQGLCK-HZPDHXFCSA-N 1 1 278.440 3.230 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H]1CC[C@@H](CC(=O)OCC)C1 ZINC001173659113 808661452 /nfs/dbraw/zinc/66/14/52/808661452.db2.gz TZYIITUTUVFSMI-ZIAGYGMSSA-N 1 1 253.386 3.006 20 30 CGEDMO CC#CCCCC(=O)NC[C@@H]1CC[N@H+]1C[C@@H](C)CC(C)C ZINC001269278367 808663759 /nfs/dbraw/zinc/66/37/59/808663759.db2.gz HTMXMZAJYMKHEY-IRXDYDNUSA-N 1 1 292.467 3.053 20 30 CGEDMO COc1ccc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)cc1 ZINC001173805846 808680517 /nfs/dbraw/zinc/68/05/17/808680517.db2.gz VUGGZPNJTHMEHU-UHFFFAOYSA-N 1 1 299.399 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)/C=C(/C)CC)C2)C1 ZINC001269686547 808697957 /nfs/dbraw/zinc/69/79/57/808697957.db2.gz PEZXYSMWGIRCGZ-MUMAZLPKSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@@]2(CC[N@@H+](C/C=C\Cl)C2)C1 ZINC001269732237 808700579 /nfs/dbraw/zinc/70/05/79/808700579.db2.gz PYRPDCWZIMFEOL-HQOGMNCSSA-N 1 1 296.842 3.020 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)CCC(C)C)C2)C1 ZINC001269718655 808701186 /nfs/dbraw/zinc/70/11/86/808701186.db2.gz AKCWQHJCOMKVHD-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@](C)(CNC(=O)C2CC(C)C2)C1 ZINC001270949781 808756512 /nfs/dbraw/zinc/75/65/12/808756512.db2.gz KICHBPIVPSKMMP-LEOMRAHMSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)C[C@H](C)C2CC2)C1 ZINC001271017068 808759051 /nfs/dbraw/zinc/75/90/51/808759051.db2.gz KZSZYBUNDRVVQX-MAUKXSAKSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)CCCC)C[C@H]2C1 ZINC001271854926 808785788 /nfs/dbraw/zinc/78/57/88/808785788.db2.gz WUQMFDKEABEBLC-YESZJQIVSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@@H](C)CC ZINC001272042331 808794585 /nfs/dbraw/zinc/79/45/85/808794585.db2.gz CXFNDXJIEBRPKW-GVDBMIGSSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]2C[N@H+](CC[C@@H](C)F)C[C@H]21 ZINC001272078294 808796920 /nfs/dbraw/zinc/79/69/20/808796920.db2.gz CYLKSHHIOWOBDO-OWCLPIDISA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)[C@@H](C)c1cccc(C)c1 ZINC001272117734 808797331 /nfs/dbraw/zinc/79/73/31/808797331.db2.gz OYGRZPXZCQSMRG-INIZCTEOSA-N 1 1 288.435 3.065 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@H](C)[C@H](C)CC ZINC001272138244 808798921 /nfs/dbraw/zinc/79/89/21/808798921.db2.gz SCRXNOOOOWNNEB-HUUCEWRRSA-N 1 1 268.445 3.025 20 30 CGEDMO CCCCCCC[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001272293606 808804180 /nfs/dbraw/zinc/80/41/80/808804180.db2.gz KLEDKWXDAQDVPW-HRCADAONSA-N 1 1 280.456 3.146 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@@H+](CC3CCCC3)CC2)C1=O ZINC001272500073 808814944 /nfs/dbraw/zinc/81/49/44/808814944.db2.gz QUDZYVWXQCNRMA-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(C)c(C)c2)C1=O ZINC001272988251 808830217 /nfs/dbraw/zinc/83/02/17/808830217.db2.gz OQJGMZHRSWMLJH-LJQANCHMSA-N 1 1 298.430 3.056 20 30 CGEDMO C=C(C)CN1CC[C@]2(CCC[N@H+]2CCC2CCCC2)C1=O ZINC001273166731 808835976 /nfs/dbraw/zinc/83/59/76/808835976.db2.gz MHADNLZDQQNXFR-GOSISDBHSA-N 1 1 290.451 3.210 20 30 CGEDMO N#Cc1cccc(C#N)c1Nc1cc[nH+]c2ccccc12 ZINC001174038988 808836449 /nfs/dbraw/zinc/83/64/49/808836449.db2.gz VSSSTVXWTAPOSW-UHFFFAOYSA-N 1 1 270.295 3.144 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC)CCCC)CC1 ZINC001273394364 808842157 /nfs/dbraw/zinc/84/21/57/808842157.db2.gz YMIDIETWXZVLNJ-DLBZAZTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCCC(C)C ZINC001273423562 808843731 /nfs/dbraw/zinc/84/37/31/808843731.db2.gz HPESTPCZKROYCO-HZPDHXFCSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCN1CC[C@@]2(CCC[N@H+](CC/C=C\CC)CC2)C1=O ZINC001273420466 808843901 /nfs/dbraw/zinc/84/39/01/808843901.db2.gz DFSYERFVPPUYDW-XFHJGTJQSA-N 1 1 290.451 3.233 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)C[C@@H](C)CC(C)C)CC1 ZINC001273466485 808846237 /nfs/dbraw/zinc/84/62/37/808846237.db2.gz PGHZVYWYKPCMFR-DLBZAZTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@]2(CCN(CC=C(C)C)C2=O)C1 ZINC001273494923 808847830 /nfs/dbraw/zinc/84/78/30/808847830.db2.gz JHYTYMYVBXOYDY-SFHVURJKSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@@]2(CCN(CC=C)C2=O)CC1 ZINC001273494952 808848445 /nfs/dbraw/zinc/84/84/45/808848445.db2.gz JZGYZLQUIMETGT-SFHVURJKSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC(C)C ZINC001273501787 808849554 /nfs/dbraw/zinc/84/95/54/808849554.db2.gz WFEWPMFDTCUYOD-HZPDHXFCSA-N 1 1 278.440 3.064 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)CCCCC(C)(C)C)C[C@@H]1C ZINC001274623889 808880427 /nfs/dbraw/zinc/88/04/27/808880427.db2.gz NTAINPUYGXYKGB-JKSUJKDBSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2(CCC)CC2)C[C@@H]1C ZINC001274646502 808881421 /nfs/dbraw/zinc/88/14/21/808881421.db2.gz YDDZCULAJCTFIN-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC(=O)N[C@H](C)C[N@@H+](C)[C@H](C)c1ccccc1 ZINC001275520723 808944736 /nfs/dbraw/zinc/94/47/36/808944736.db2.gz JDZLBSOIXPNSPZ-HUUCEWRRSA-N 1 1 274.408 3.150 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@H](C)c1ccsc1 ZINC001275647399 808954213 /nfs/dbraw/zinc/95/42/13/808954213.db2.gz AMOLOFRDDLWWOI-UONOGXRCSA-N 1 1 294.464 3.254 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(C(C)C)cc1 ZINC001275706417 808959014 /nfs/dbraw/zinc/95/90/14/808959014.db2.gz GWBOBRUTRAWMJQ-HNNXBMFYSA-N 1 1 288.435 3.436 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC1(C)C ZINC001275904676 808975311 /nfs/dbraw/zinc/97/53/11/808975311.db2.gz MQUQYUDRFXYWFL-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)[C@H](F)CC1CCCCC1 ZINC001275976338 808980825 /nfs/dbraw/zinc/98/08/25/808980825.db2.gz CCZFCBRPYKSRPI-GDBMZVCRSA-N 1 1 298.446 3.308 20 30 CGEDMO C#CCC1(C(=O)NC[C@H](C)[N@H+](C)CC(C)C)CCCCC1 ZINC001276011564 808984849 /nfs/dbraw/zinc/98/48/49/808984849.db2.gz MTAYERGYWQCLER-INIZCTEOSA-N 1 1 292.467 3.053 20 30 CGEDMO CC(C)C#CC(=O)NC[C@@H]1CCCCC[N@@H+]1CCC(C)C ZINC001276300175 808999936 /nfs/dbraw/zinc/99/99/36/808999936.db2.gz PPVYGPVWAFGBEJ-KRWDZBQOSA-N 1 1 292.467 3.053 20 30 CGEDMO CC#CCCCC(=O)N[C@@H]1C[N@H+](CCCCC)CC1(C)C ZINC001276601082 809017855 /nfs/dbraw/zinc/01/78/55/809017855.db2.gz LAFLEEMDCQIIGT-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO CCCCCCC[N@H+]1CCCC2(CN(C(=O)CC)C2)C1 ZINC001276841078 809037420 /nfs/dbraw/zinc/03/74/20/809037420.db2.gz UTAUWMOHRPUQLZ-UHFFFAOYSA-N 1 1 280.456 3.291 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)CC(C)(C)C=C ZINC001276862890 809039886 /nfs/dbraw/zinc/03/98/86/809039886.db2.gz YVQULWNOXCLHQG-LSDHHAIUSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@H]2C[C@]21C(=O)N(CC)C(C)C ZINC001276886054 809041141 /nfs/dbraw/zinc/04/11/41/809041141.db2.gz UWNVXZNJUNODPR-DOTOQJQBSA-N 1 1 278.440 3.064 20 30 CGEDMO N#Cc1ccc(N2CC[C@H]3[C@@H]2CC[N@H+]3C2CCCC2)cc1 ZINC001276960367 809050615 /nfs/dbraw/zinc/05/06/15/809050615.db2.gz GMYTZVKNBHTTFB-ROUUACIJSA-N 1 1 281.403 3.154 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)CC ZINC001277339991 809070372 /nfs/dbraw/zinc/07/03/72/809070372.db2.gz NTJIQAYRGNBIKC-OAGGEKHMSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)CC[N@H+](C)C1CCN(C(=O)C2CCCC2)CC1 ZINC001277372310 809070668 /nfs/dbraw/zinc/07/06/68/809070668.db2.gz IPBJRKIIOVJZBR-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC(=O)NC[C@@]1(C)CCC[N@H+](CC=C(C)C)C1 ZINC001278646891 809148464 /nfs/dbraw/zinc/14/84/64/809148464.db2.gz GUUPJKCGPUDKEA-QGZVFWFLSA-N 1 1 278.440 3.137 20 30 CGEDMO CCCCCCC[N@@H+]1C[C@H]2CN(C(=O)CC3CC3)C[C@H]2C1 ZINC001279327436 809170718 /nfs/dbraw/zinc/17/07/18/809170718.db2.gz GTMKUHNKFWMWLB-CALCHBBNSA-N 1 1 292.467 3.147 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCCC1CC1 ZINC001279577540 809174971 /nfs/dbraw/zinc/17/49/71/809174971.db2.gz SZLSYJJCHRQRGZ-SJORKVTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC(C)(C)C(=O)NCc1ccccc1C[N@H+](C)CCC ZINC001280332809 809184398 /nfs/dbraw/zinc/18/43/98/809184398.db2.gz AGJUKFRZPUGANV-UHFFFAOYSA-N 1 1 288.435 3.357 20 30 CGEDMO C=CC[N@@H+]1CCc2c(CNC(=O)CC3(C)CC3)cccc2C1 ZINC001280427052 809189126 /nfs/dbraw/zinc/18/91/26/809189126.db2.gz PWBSNVIMYONKBF-UHFFFAOYSA-N 1 1 298.430 3.037 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c(F)c2)C1 ZINC001174891818 809193222 /nfs/dbraw/zinc/19/32/22/809193222.db2.gz XCWXUTFHHCVDBA-LLVKDONJSA-N 1 1 296.773 3.316 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)CC(C)C)CC1 ZINC001280770290 809197234 /nfs/dbraw/zinc/19/72/34/809197234.db2.gz OLRAACKXMGMDKQ-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C/C=C(/C)C=C)CC1 ZINC001280758130 809197918 /nfs/dbraw/zinc/19/79/18/809197918.db2.gz ZUJPDJCTOYBNKG-QOBZYLRHSA-N 1 1 276.424 3.056 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C)C2CC2)CC1 ZINC001280776881 809198568 /nfs/dbraw/zinc/19/85/68/809198568.db2.gz MCGXWUMUOSIILJ-IUODEOHRSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[N@H+](CC(CC)CC)[C@@H](C)C1 ZINC001281650014 809216493 /nfs/dbraw/zinc/21/64/93/809216493.db2.gz ATPXLSIDQNGWNA-GOEBONIOSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C=C(CC)CC)C[C@@H]1C ZINC001281656890 809216648 /nfs/dbraw/zinc/21/66/48/809216648.db2.gz AUVKVIJDLIYXJX-ZFWWWQNUSA-N 1 1 298.858 3.454 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C=C(CC)CC)C[C@@H]1C ZINC001281656890 809216652 /nfs/dbraw/zinc/21/66/52/809216652.db2.gz AUVKVIJDLIYXJX-ZFWWWQNUSA-N 1 1 298.858 3.454 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](CC(=C)C)[C@H](C)C2)CCC1 ZINC001281673827 809217762 /nfs/dbraw/zinc/21/77/62/809217762.db2.gz FZIPOSJJWTXZKC-HZPDHXFCSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@@H+](CC(=C)C)[C@H](C)C2)CCC1 ZINC001281673823 809218236 /nfs/dbraw/zinc/21/82/36/809218236.db2.gz FZIPOSJJWTXZKC-CVEARBPZSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@]1(C)C=CCC1 ZINC001281953360 809225329 /nfs/dbraw/zinc/22/53/29/809225329.db2.gz UMLSSDNXGZYGGM-WMZOPIPTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)C1(CCCC)CC1 ZINC001281958257 809226062 /nfs/dbraw/zinc/22/60/62/809226062.db2.gz ZMKFTCTVSIKPTI-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)C1(C)CC=CC1 ZINC001281957187 809226928 /nfs/dbraw/zinc/22/69/28/809226928.db2.gz PJCNRJQOXLZEIB-CQSZACIVSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)C1(C)CC=CC1 ZINC001281957187 809226932 /nfs/dbraw/zinc/22/69/32/809226932.db2.gz PJCNRJQOXLZEIB-CQSZACIVSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H](C)[N@H+](C)CCCC(C)C ZINC001282441961 809247326 /nfs/dbraw/zinc/24/73/26/809247326.db2.gz ASUAIJPTURFHMI-CQSZACIVSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](F)CC ZINC001282667236 809258571 /nfs/dbraw/zinc/25/85/71/809258571.db2.gz XETYEPMETGWTQC-CABCVRRESA-N 1 1 284.419 3.062 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C(CC)CC)C(C)(C)C1 ZINC001282812653 809263596 /nfs/dbraw/zinc/26/35/96/809263596.db2.gz PBNVZODUIIXVIC-GOEBONIOSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CC(C)C)CC1(C)C ZINC001282819457 809263817 /nfs/dbraw/zinc/26/38/17/809263817.db2.gz BAOSFTTXYLTYEH-RHSMWYFYSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C)C(C)C)C2)C1 ZINC001282973271 809267859 /nfs/dbraw/zinc/26/78/59/809267859.db2.gz SGAMQXFHQRXDLF-INIZCTEOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)[C@@]23C[C@@H]2CCCC3)CC1 ZINC001283326150 809277273 /nfs/dbraw/zinc/27/72/73/809277273.db2.gz VBDOVEUZJRMNPC-YJBOKZPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCCC(=O)N[C@]12CCC[C@@H]1[N@@H+](C[C@H](F)CC)CC2 ZINC001284070327 809295704 /nfs/dbraw/zinc/29/57/04/809295704.db2.gz SKXJAUOFRKCCMP-VYDXJSESSA-N 1 1 296.430 3.204 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CCCCC)[C@H]1C ZINC001284118535 809296473 /nfs/dbraw/zinc/29/64/73/809296473.db2.gz JWKYPQKGCUFURW-HUUCEWRRSA-N 1 1 266.429 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)CCC(C)C)CC1 ZINC001284879469 809320418 /nfs/dbraw/zinc/32/04/18/809320418.db2.gz BQPRDJJVUIYAHW-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)C[C@@H](CC)C(C)C)CC1 ZINC001284977289 809321588 /nfs/dbraw/zinc/32/15/88/809321588.db2.gz SVKOKMUCCSSTQN-QGZVFWFLSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001290989115 809419476 /nfs/dbraw/zinc/41/94/76/809419476.db2.gz SBGHUNAGVKIZEO-BBWFWOEESA-N 1 1 294.483 3.463 20 30 CGEDMO C=C[C@H](C(=O)N[C@@H](C)C[N@H+](CC)CCC)c1ccccc1 ZINC001298874554 809541762 /nfs/dbraw/zinc/54/17/62/809541762.db2.gz ACBNANZVRRDXNI-RDJZCZTQSA-N 1 1 288.435 3.193 20 30 CGEDMO C=CCn1cc(Nc2ccc3c[nH+]ccc3c2)cn1 ZINC001176545082 809714326 /nfs/dbraw/zinc/71/43/26/809714326.db2.gz SNIGNHAXXQAEAV-UHFFFAOYSA-N 1 1 250.305 3.361 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCCC[C@@]23CCCOC3)CC1 ZINC001177015897 809774438 /nfs/dbraw/zinc/77/44/38/809774438.db2.gz RVCSTEQPRGBPIY-JCYILVPMSA-N 1 1 276.424 3.351 20 30 CGEDMO C[C@@H](CC#N)[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC001179478467 809924323 /nfs/dbraw/zinc/92/43/23/809924323.db2.gz BYJFUTTUHNVJJB-JTQLQIEISA-N 1 1 274.755 3.122 20 30 CGEDMO Cc1cccc2c1CC[N@H+](Cc1csc(C#N)c1)C2 ZINC001180189493 809982338 /nfs/dbraw/zinc/98/23/38/809982338.db2.gz RNJPKFZWKBZEMD-UHFFFAOYSA-N 1 1 268.385 3.487 20 30 CGEDMO Cc1cccc2c1CC[N@@H+](Cc1csc(C#N)c1)C2 ZINC001180189493 809982341 /nfs/dbraw/zinc/98/23/41/809982341.db2.gz RNJPKFZWKBZEMD-UHFFFAOYSA-N 1 1 268.385 3.487 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC001181869471 810077797 /nfs/dbraw/zinc/07/77/97/810077797.db2.gz CGXCRWPJCFJWQV-MSOLQXFVSA-N 1 1 251.373 3.159 20 30 CGEDMO C=CCN(C(=O)[C@H]1CC[N@H+](C(C)C)C1)C1CCCCC1 ZINC001181977540 810086274 /nfs/dbraw/zinc/08/62/74/810086274.db2.gz LVFFJQBXMDNSEG-HNNXBMFYSA-N 1 1 278.440 3.064 20 30 CGEDMO Cc1ccc2c(c1)C[N@H+](CC#Cc1ccccc1)CC2 ZINC001182781292 810124531 /nfs/dbraw/zinc/12/45/31/810124531.db2.gz LDYSYQYILLDVPA-UHFFFAOYSA-N 1 1 261.368 3.405 20 30 CGEDMO Cc1cn2cc(Nc3cc(F)ccc3C#N)ccc2[nH+]1 ZINC001185438335 810265955 /nfs/dbraw/zinc/26/59/55/810265955.db2.gz DCQNOLBVKDFPDT-UHFFFAOYSA-N 1 1 266.279 3.397 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)CCC)[C@@H]2C1 ZINC001187198682 810390289 /nfs/dbraw/zinc/39/02/89/810390289.db2.gz HFNWLLPGGZUWTI-VHDGCEQUSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)CCC)[C@@H]2C1 ZINC001187198682 810390293 /nfs/dbraw/zinc/39/02/93/810390293.db2.gz HFNWLLPGGZUWTI-VHDGCEQUSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)CCC)[C@@H]2C1 ZINC001187261824 810392083 /nfs/dbraw/zinc/39/20/83/810392083.db2.gz HBFJMSJBYGRGFD-IXDOHACOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)c2sccc2C)C1 ZINC001188651372 810498996 /nfs/dbraw/zinc/49/89/96/810498996.db2.gz HMFXZMVQSOVXHJ-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CC(C)(C)C)C1 ZINC001188871230 810520961 /nfs/dbraw/zinc/52/09/61/810520961.db2.gz YGCHFADUNAQKIF-HUUCEWRRSA-N 1 1 280.456 3.310 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CC(C)(C)C)C1 ZINC001188871231 810521860 /nfs/dbraw/zinc/52/18/60/810521860.db2.gz YGCHFADUNAQKIF-LSDHHAIUSA-N 1 1 280.456 3.310 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)CCC=C)C1 ZINC001189318750 810556628 /nfs/dbraw/zinc/55/66/28/810556628.db2.gz OPRXQPDUFLJTCC-INIZCTEOSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]([N@@H+](C)CC2CCCCC2)C1 ZINC001189318382 810557014 /nfs/dbraw/zinc/55/70/14/810557014.db2.gz KYQZRIXLXYBUTF-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)/C=C/C(C)(C)C)C1 ZINC001189449398 810570703 /nfs/dbraw/zinc/57/07/03/810570703.db2.gz KUVVDLPOVQWXNX-GDXASINISA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)C=C(CC)CC)C1 ZINC001189633617 810584597 /nfs/dbraw/zinc/58/45/97/810584597.db2.gz YOVXVQOUUHVYKA-AWEZNQCLSA-N 1 1 284.831 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)C=C(CC)CC)C1 ZINC001189633617 810584600 /nfs/dbraw/zinc/58/46/00/810584600.db2.gz YOVXVQOUUHVYKA-AWEZNQCLSA-N 1 1 284.831 3.018 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC2(C)C)C1 ZINC001189674608 810585309 /nfs/dbraw/zinc/58/53/09/810585309.db2.gz QEGKINOLGVWYPU-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC2(C)C)C1 ZINC001189674611 810586062 /nfs/dbraw/zinc/58/60/62/810586062.db2.gz QEGKINOLGVWYPU-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CCCCCC(=O)N1CC[C@H]([N@H+](C)CC(CC)CC)C1 ZINC001189743859 810587488 /nfs/dbraw/zinc/58/74/88/810587488.db2.gz JWVVVSMVCNSWHF-KRWDZBQOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C(C)=C2CCC2)C1 ZINC001190025163 810603117 /nfs/dbraw/zinc/60/31/17/810603117.db2.gz OMMBYUKSKIJQBN-RHSMWYFYSA-N 1 1 290.451 3.374 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)CCCCC(C)(C)C)C1 ZINC001190338249 810621943 /nfs/dbraw/zinc/62/19/43/810621943.db2.gz ZYEHLLQCRDWRRN-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CCC[N@H+](C)[C@H]1CCN(C(=O)CCCC[C@H](C)CC)C1 ZINC001190361621 810623223 /nfs/dbraw/zinc/62/32/23/810623223.db2.gz FWGBRGYVGQKXDN-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO C#CCC[N@H+](C)[C@@H]1CCN(C(=O)CCC[C@@H](C)CCC)C1 ZINC001190369263 810624248 /nfs/dbraw/zinc/62/42/48/810624248.db2.gz AVQLPQHZGCWJAS-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@@H]([N@H+](C)CCCCC)C1 ZINC001190436075 810628368 /nfs/dbraw/zinc/62/83/68/810628368.db2.gz PUFIGMKCWUQUKR-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C23CCC(CC2)C3)C1 ZINC001190932613 810657110 /nfs/dbraw/zinc/65/71/10/810657110.db2.gz ADRFPCHKQCXIME-PQUAAJSLSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)CC2(C)CC2)C1 ZINC001191413375 810711290 /nfs/dbraw/zinc/71/12/90/810711290.db2.gz FCXSPRNSURFOSO-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)C2CCC2)C1 ZINC001191577573 810726754 /nfs/dbraw/zinc/72/67/54/810726754.db2.gz UHJYNZGKSMHIAO-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CCCCCCC[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001191568620 810726801 /nfs/dbraw/zinc/72/68/01/810726801.db2.gz IKVLDKKUOTVJPW-OAHLLOKOSA-N 1 1 294.439 3.169 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C2(C3CC3)CCC2)C1 ZINC001191567505 810726855 /nfs/dbraw/zinc/72/68/55/810726855.db2.gz BLFYUMLSTSXAIS-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C2(C3CC3)CCC2)C1 ZINC001191569008 810726868 /nfs/dbraw/zinc/72/68/68/810726868.db2.gz LTWXFABKUPLIKC-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]([N@H+](C)CCCCCC)C1 ZINC001191727133 810732430 /nfs/dbraw/zinc/73/24/30/810732430.db2.gz GQNHBDTYETWMDW-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)c2cocc2C)C1 ZINC001191772458 810738731 /nfs/dbraw/zinc/73/87/31/810738731.db2.gz OYDUTZUOZNHJHM-CABCVRRESA-N 1 1 290.407 3.089 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)CC(=C)C)C1 ZINC001191867739 810752865 /nfs/dbraw/zinc/75/28/65/810752865.db2.gz HRJPFQWIJWCRSB-JKSUJKDBSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)CC2CC(C)(C)C2)C1 ZINC001191931078 810757065 /nfs/dbraw/zinc/75/70/65/810757065.db2.gz PLEOYFNTGOVBMS-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)CC2CC(C)(C)C2)C1 ZINC001191931926 810757907 /nfs/dbraw/zinc/75/79/07/810757907.db2.gz VMSFTOAPXRJKPO-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)C2(CC)CC2)C1 ZINC001192189869 810773703 /nfs/dbraw/zinc/77/37/03/810773703.db2.gz JSFRHZVZCVWSJH-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)CC2CCCCCC2)C1 ZINC001192551857 810805591 /nfs/dbraw/zinc/80/55/91/810805591.db2.gz UQYJDKRTVURGLW-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)c2ccsc2Cl)C1 ZINC001192680221 810814924 /nfs/dbraw/zinc/81/49/24/810814924.db2.gz NCWHUARLLVADQL-NSHDSACASA-N 1 1 298.839 3.124 20 30 CGEDMO CC#CC[N@@H+](C)[C@H]1CCN(C(=O)CCCCCC(C)C)C1 ZINC001192704497 810817935 /nfs/dbraw/zinc/81/79/35/810817935.db2.gz MZWAMRUYTUQPPY-KRWDZBQOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)CCCCC(C)C)C1 ZINC001192946694 810832113 /nfs/dbraw/zinc/83/21/13/810832113.db2.gz DRKKKKUZVGLPLI-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO CCCCCCCC[N@H+]1C[C@@H](SC)[C@@H](N(C)C)C1 ZINC001193020656 810841920 /nfs/dbraw/zinc/84/19/20/810841920.db2.gz CRGVLOLZEWRCBY-LSDHHAIUSA-N 1 1 272.502 3.324 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)C2CCCC2)C1 ZINC001193372627 810880610 /nfs/dbraw/zinc/88/06/10/810880610.db2.gz DVPBWQZEZIJFLU-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001193479519 810894113 /nfs/dbraw/zinc/89/41/13/810894113.db2.gz XBVWPBHFCSHFKI-JKSUJKDBSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001193579089 810912613 /nfs/dbraw/zinc/91/26/13/810912613.db2.gz KUKRHWIIVURIDZ-ULQDDVLXSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(Cl)cc2)C1 ZINC001193631162 810922608 /nfs/dbraw/zinc/92/26/08/810922608.db2.gz UEGQDSNKAWCXPA-HNNXBMFYSA-N 1 1 292.810 3.062 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)C(C)(C)C)C1 ZINC001193695522 810937898 /nfs/dbraw/zinc/93/78/98/810937898.db2.gz JBJNWFRPSXKMMR-HUUCEWRRSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)CCCC2CCCC2)C1 ZINC001194337478 811054768 /nfs/dbraw/zinc/05/47/68/811054768.db2.gz SMIKVAZEKWXMIC-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)C(C)C)C2)CCCC1 ZINC001194565830 811091891 /nfs/dbraw/zinc/09/18/91/811091891.db2.gz APOWTDOGNOGBOK-OAHLLOKOSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C2CCCCC2)CC1 ZINC001194674417 811104938 /nfs/dbraw/zinc/10/49/38/811104938.db2.gz WQUZTAWFPIETOL-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)/C(C)=C/CC)CC1 ZINC001195080131 811198387 /nfs/dbraw/zinc/19/83/87/811198387.db2.gz ZBKMJBQJDQGQAH-HTRKUNOGSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCCC(=O)N1CCC[N@@H+](CCC2=CCCCC2)CC1 ZINC001195225724 811228339 /nfs/dbraw/zinc/22/83/39/811228339.db2.gz IPERQBAZNRLMQF-UHFFFAOYSA-N 1 1 290.451 3.377 20 30 CGEDMO CC1(C)c2ccccc2CC[N@@H+]1CC1(CC#N)CC1 ZINC001195385177 811251047 /nfs/dbraw/zinc/25/10/47/811251047.db2.gz MIYSTOXPHLYLPN-UHFFFAOYSA-N 1 1 254.377 3.474 20 30 CGEDMO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)OCc1ccccc1 ZINC001196056571 811313441 /nfs/dbraw/zinc/31/34/41/811313441.db2.gz LSBQHIBYITVMHA-IAGOWNOFSA-N 1 1 287.403 3.454 20 30 CGEDMO C=CC[N@H+](CCOc1cccc(C(=O)OC)c1)C(C)(C)C ZINC001196189088 811324855 /nfs/dbraw/zinc/32/48/55/811324855.db2.gz QSVUFXRHVDZERP-UHFFFAOYSA-N 1 1 291.391 3.139 20 30 CGEDMO C=CC[N@H+](CCOc1ccc2c(c1)OCO2)C(C)(C)C ZINC001196199074 811325351 /nfs/dbraw/zinc/32/53/51/811325351.db2.gz XPAGZSQHEHSSSH-UHFFFAOYSA-N 1 1 277.364 3.081 20 30 CGEDMO C=CC[C@@H](C(=O)OC)[N@H+](C)CCCC(CC)CC ZINC001196518232 811350683 /nfs/dbraw/zinc/35/06/83/811350683.db2.gz LCXRBFOSEDEUDJ-AWEZNQCLSA-N 1 1 255.402 3.252 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)C(C)(C)C2CCC2)CC1 ZINC001196666143 811358186 /nfs/dbraw/zinc/35/81/86/811358186.db2.gz RWRVHBBYYIANKB-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C(C)(C)C2CC2)CC1 ZINC001196854997 811375271 /nfs/dbraw/zinc/37/52/71/811375271.db2.gz WOWKJJIYQLBGBO-HNNXBMFYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[N@@H+](CCC(=C)C)CC1 ZINC001196889855 811380574 /nfs/dbraw/zinc/38/05/74/811380574.db2.gz IZDNCVHHICMWRY-MRXNPFEDSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCCC[N@H+]1CCCN(C(=O)[C@]23C[C@H]2CCCC3)CC1 ZINC001197092240 811398413 /nfs/dbraw/zinc/39/84/13/811398413.db2.gz KLRARDVJAGUNQA-SJLPKXTDSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[N@H+](C[C@@H](C)CC)CC1 ZINC001197291823 811412319 /nfs/dbraw/zinc/41/23/19/811412319.db2.gz LZOLGHHAUQJICP-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(Cl)CN1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001197348965 811418489 /nfs/dbraw/zinc/41/84/89/811418489.db2.gz JWRJARFMPXELRK-CQSZACIVSA-N 1 1 264.800 3.118 20 30 CGEDMO C=CC[N@H+]1CCCN(C(=O)CC2(C=C)CCCCC2)CC1 ZINC001197440902 811424354 /nfs/dbraw/zinc/42/43/54/811424354.db2.gz RJIKLBRFFKWGKI-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO C#CC[N@H+](C[C@H](OC)c1ccc(F)cc1)C(C)(C)C ZINC001197937920 811465930 /nfs/dbraw/zinc/46/59/30/811465930.db2.gz UCDOHHOSMLPVFE-HNNXBMFYSA-N 1 1 263.356 3.247 20 30 CGEDMO C#CCC[N@@H+]1CCCN(C(=O)[C@@H](CCCC)C(C)C)CC1 ZINC001198304724 811491447 /nfs/dbraw/zinc/49/14/47/811491447.db2.gz ZWQGPAJJSVKOIN-KRWDZBQOSA-N 1 1 292.467 3.006 20 30 CGEDMO C#CCOCC[N@@H+]1CCC[C@]1(C)Cc1ccc(Cl)s1 ZINC001198300967 811491539 /nfs/dbraw/zinc/49/15/39/811491539.db2.gz RTNOVWWNIKKYHV-OAHLLOKOSA-N 1 1 297.851 3.448 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1cn(C)nc1C(F)F ZINC001198406265 811499191 /nfs/dbraw/zinc/49/91/91/811499191.db2.gz HUNORFNCNZTPIH-GFCCVEGCSA-N 1 1 269.339 3.288 20 30 CGEDMO C=CCC[C@@H]1CCC[N@H+]1Cc1cc(Cl)n(C)n1 ZINC001198414205 811499555 /nfs/dbraw/zinc/49/95/55/811499555.db2.gz HJFPUDXHLAIEKN-GFCCVEGCSA-N 1 1 253.777 3.004 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1cc(Cl)n(C)n1 ZINC001198414205 811499558 /nfs/dbraw/zinc/49/95/58/811499558.db2.gz HJFPUDXHLAIEKN-GFCCVEGCSA-N 1 1 253.777 3.004 20 30 CGEDMO C#C[C@@H]1CCCC[N@H+]1C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC001198523981 811511958 /nfs/dbraw/zinc/51/19/58/811511958.db2.gz BHYFPHKDUWMVGO-KURKYZTESA-N 1 1 269.388 3.394 20 30 CGEDMO COc1ccc(Nc2[nH+]c(C)ccc2C)cc1C#N ZINC001214995702 815473891 /nfs/dbraw/zinc/47/38/91/815473891.db2.gz NNACVLBKFSGINV-UHFFFAOYSA-N 1 1 253.305 3.322 20 30 CGEDMO C=CCCCCC[N@H+](C)CCCNC(=O)CCCC ZINC001234043221 818764581 /nfs/dbraw/zinc/76/45/81/818764581.db2.gz XLLKVDUCEJLDAI-UHFFFAOYSA-N 1 1 268.445 3.361 20 30 CGEDMO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](C[C@H](C)CCC)C2 ZINC001201542183 811893768 /nfs/dbraw/zinc/89/37/68/811893768.db2.gz ILJGSTSXNKTDIZ-FGTMMUONSA-N 1 1 295.467 3.496 20 30 CGEDMO CCCCCCCCCCC[N@@H+](C)CC(=O)NC ZINC001201630483 811924502 /nfs/dbraw/zinc/92/45/02/811924502.db2.gz AZPVTYYEHJQLEK-UHFFFAOYSA-N 1 1 256.434 3.195 20 30 CGEDMO CC(C)CC[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001201630401 811924688 /nfs/dbraw/zinc/92/46/88/811924688.db2.gz SGRSECCCSFZVBW-QGZVFWFLSA-N 1 1 272.392 3.448 20 30 CGEDMO CCCCCCCCCCCC[N@H+]1CCO[C@H](C(N)=O)C1 ZINC001201631685 811925519 /nfs/dbraw/zinc/92/55/19/811925519.db2.gz XOAUJGAXBKIAEY-INIZCTEOSA-N 1 1 298.471 3.093 20 30 CGEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](CCCCCC)C2 ZINC001201754802 811960311 /nfs/dbraw/zinc/96/03/11/811960311.db2.gz IZBBEUSCVIBOEE-DLBZAZTESA-N 1 1 281.440 3.393 20 30 CGEDMO CCCCCCCCC[N@@H+](C)CCC(=O)N(C)C ZINC001201852761 811973046 /nfs/dbraw/zinc/97/30/46/811973046.db2.gz KETJDFAQISLXMA-UHFFFAOYSA-N 1 1 256.434 3.147 20 30 CGEDMO N#CCC[N@H+](Cc1cn[nH]c1)C1CCCCCCC1 ZINC001203093906 812237714 /nfs/dbraw/zinc/23/77/14/812237714.db2.gz MEZWEMZDRYEMAL-UHFFFAOYSA-N 1 1 260.385 3.238 20 30 CGEDMO N#CCC[N@@H+](Cc1cn[nH]c1)C1CCCCCCC1 ZINC001203093906 812237719 /nfs/dbraw/zinc/23/77/19/812237719.db2.gz MEZWEMZDRYEMAL-UHFFFAOYSA-N 1 1 260.385 3.238 20 30 CGEDMO C=CC[N@@H+](Cc1cc(CC)no1)Cc1ccccc1 ZINC001203225996 812272058 /nfs/dbraw/zinc/27/20/58/812272058.db2.gz CJLFRFZQMJRPKY-UHFFFAOYSA-N 1 1 256.349 3.425 20 30 CGEDMO C=CC[N@H+](Cc1cc(CC)no1)Cc1ccccc1 ZINC001203225996 812272065 /nfs/dbraw/zinc/27/20/65/812272065.db2.gz CJLFRFZQMJRPKY-UHFFFAOYSA-N 1 1 256.349 3.425 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1cc(Cl)ccc1O ZINC001203658478 812418839 /nfs/dbraw/zinc/41/88/39/812418839.db2.gz XJNTVHNWVVWQMG-UHFFFAOYSA-N 1 1 252.745 3.171 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1cc(Cl)ccc1O ZINC001203658478 812418844 /nfs/dbraw/zinc/41/88/44/812418844.db2.gz XJNTVHNWVVWQMG-UHFFFAOYSA-N 1 1 252.745 3.171 20 30 CGEDMO N#Cc1ccc(F)c(C[NH2+]Cc2cc3cccnc3o2)c1 ZINC001203682138 812427894 /nfs/dbraw/zinc/42/78/94/812427894.db2.gz DGDAOOXAQMVFCI-UHFFFAOYSA-N 1 1 281.290 3.128 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(OC)c(C)c2C)C1 ZINC001203726011 812441807 /nfs/dbraw/zinc/44/18/07/812441807.db2.gz XXIHDAJRQAZTBR-OAHLLOKOSA-N 1 1 257.377 3.157 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)c(C)c1 ZINC001203731938 812444874 /nfs/dbraw/zinc/44/48/74/812444874.db2.gz OCKSGBQADYMJQX-OAHLLOKOSA-N 1 1 273.401 3.078 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCC3SC(=O)C=C3C2)c(C)c1 ZINC001203731938 812444877 /nfs/dbraw/zinc/44/48/77/812444877.db2.gz OCKSGBQADYMJQX-OAHLLOKOSA-N 1 1 273.401 3.078 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC3SC(=O)C=C3C2)c(C)c1 ZINC001203731938 812444879 /nfs/dbraw/zinc/44/48/79/812444879.db2.gz OCKSGBQADYMJQX-OAHLLOKOSA-N 1 1 273.401 3.078 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](C(=O)c3ccccc3)C2)c1 ZINC001203763829 812458119 /nfs/dbraw/zinc/45/81/19/812458119.db2.gz NTUMEMGIRKHWRC-GOSISDBHSA-N 1 1 290.366 3.263 20 30 CGEDMO COc1ccc(C[N@H+]2CCc3cc(C#N)ccc3C2)cc1C ZINC001203895692 812484621 /nfs/dbraw/zinc/48/46/21/812484621.db2.gz WZMKIYOJDGYFGH-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1ccc(NC(C)=O)cc1 ZINC001203928019 812494243 /nfs/dbraw/zinc/49/42/43/812494243.db2.gz RFFKDSFEBLDBGR-UHFFFAOYSA-N 1 1 273.380 3.161 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1ccc(NC(C)=O)cc1 ZINC001203928019 812494250 /nfs/dbraw/zinc/49/42/50/812494250.db2.gz RFFKDSFEBLDBGR-UHFFFAOYSA-N 1 1 273.380 3.161 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1ccc(OC(C)=O)cc1 ZINC001203952477 812500651 /nfs/dbraw/zinc/50/06/51/812500651.db2.gz YXAKNRKSDFDXMI-UHFFFAOYSA-N 1 1 274.364 3.128 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1ccc(OC(C)=O)cc1 ZINC001203952477 812500656 /nfs/dbraw/zinc/50/06/56/812500656.db2.gz YXAKNRKSDFDXMI-UHFFFAOYSA-N 1 1 274.364 3.128 20 30 CGEDMO N#CC1(c2ccccc2)CC[NH+](Cc2ccoc2)CC1 ZINC001204240880 812583161 /nfs/dbraw/zinc/58/31/61/812583161.db2.gz IJJUUYZOHJIDIT-UHFFFAOYSA-N 1 1 266.344 3.337 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H](CF)C2)cc1 ZINC001204299871 812604906 /nfs/dbraw/zinc/60/49/06/812604906.db2.gz CNZGMHSBQSWGHV-OAHLLOKOSA-N 1 1 263.356 3.433 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@@]3(C2)CCCCO3)cc1 ZINC001204297678 812605571 /nfs/dbraw/zinc/60/55/71/812605571.db2.gz NGHHRCQPTALXQO-GOSISDBHSA-N 1 1 287.403 3.396 20 30 CGEDMO CC(C)C1(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)CC1 ZINC001204664361 812702871 /nfs/dbraw/zinc/70/28/71/812702871.db2.gz HFJPRLVFLPMWHG-KRWDZBQOSA-N 1 1 284.403 3.368 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cc(C)c(C(=O)OC)[nH]1 ZINC001204767773 812729072 /nfs/dbraw/zinc/72/90/72/812729072.db2.gz DOHKWANXXJBJSD-UHFFFAOYSA-N 1 1 278.396 3.288 20 30 CGEDMO COc1cccc(CC[N@@H+](C)Cc2ccc(F)c(C#N)c2)c1 ZINC001205493882 812991839 /nfs/dbraw/zinc/99/18/39/812991839.db2.gz XVGYOOAZWXLDMA-UHFFFAOYSA-N 1 1 298.361 3.380 20 30 CGEDMO C[C@@H]1CCN(Cc2cccc(Cl)c2C#N)CC[C@@H]1C[NH3+] ZINC001205617954 813029207 /nfs/dbraw/zinc/02/92/07/813029207.db2.gz PYPQLLVGEXPQBL-CHWSQXEVSA-N 1 1 291.826 3.018 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OCCCC#N ZINC001205622383 813030224 /nfs/dbraw/zinc/03/02/24/813030224.db2.gz SUUZNPQIIAVWOS-WBVHZDCISA-N 1 1 272.392 3.217 20 30 CGEDMO C=CCCCCCCCC[N@H+]1CCCC[C@@](O)(CN)C1 ZINC001205663705 813045659 /nfs/dbraw/zinc/04/56/59/813045659.db2.gz KFNGFEFYJYNUFY-QGZVFWFLSA-N 1 1 282.472 3.079 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CCCC[C@@](O)(CN)C1 ZINC001205663705 813045668 /nfs/dbraw/zinc/04/56/68/813045668.db2.gz KFNGFEFYJYNUFY-QGZVFWFLSA-N 1 1 282.472 3.079 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccoc2)C1 ZINC001205965114 813147530 /nfs/dbraw/zinc/14/75/30/813147530.db2.gz NXCDHFGOLZVMKD-GDBMZVCRSA-N 1 1 292.423 3.300 20 30 CGEDMO Fc1ccc(Cl)cc1C[NH+]1CCC(S)CC1 ZINC001206027669 813170581 /nfs/dbraw/zinc/17/05/81/813170581.db2.gz FHPRZCJZWUXKAH-UHFFFAOYSA-N 1 1 259.777 3.373 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)/C=C(\C)C2CC2)C1 ZINC001206328153 813291548 /nfs/dbraw/zinc/29/15/48/813291548.db2.gz SBQCLMGMYPAJFJ-MTEAWHQMSA-N 1 1 290.451 3.134 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1Nc1ccccc1CC#N ZINC001206744696 813417493 /nfs/dbraw/zinc/41/74/93/813417493.db2.gz XULNCTBMPZLWCN-UHFFFAOYSA-N 1 1 266.348 3.266 20 30 CGEDMO C=C(C)COc1ccccc1CN1C[C@@H](C[NH3+])CC[C@@H]1C ZINC001206768732 813430795 /nfs/dbraw/zinc/43/07/95/813430795.db2.gz LVGAXQRGZJMZAT-JKSUJKDBSA-N 1 1 288.435 3.201 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC(C)(C)C2CC2)C1 ZINC001206937080 813459422 /nfs/dbraw/zinc/45/94/22/813459422.db2.gz KYKFAUDUNLHWMR-BXUZGUMPSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC(C)(C)C2CC2)C1 ZINC001206937080 813459425 /nfs/dbraw/zinc/45/94/25/813459425.db2.gz KYKFAUDUNLHWMR-BXUZGUMPSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(C)C[C@H]([NH2+][C@@H](C)CCCCCC)C(=O)OC ZINC001207128872 813492704 /nfs/dbraw/zinc/49/27/04/813492704.db2.gz HAKHTRQJYQKMQL-KBPBESRZSA-N 1 1 255.402 3.443 20 30 CGEDMO C=C(C)C[C@H]([NH2+][C@H]1CCC[C@H](C)CC1)C(=O)OCC ZINC001207341704 813542379 /nfs/dbraw/zinc/54/23/79/813542379.db2.gz ROULKJRVTSVBGP-KKUMJFAQSA-N 1 1 267.413 3.443 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@H+](C[C@@H]1C[C@H]3C=C[C@@H]1C3)CC2 ZINC001207616421 813617609 /nfs/dbraw/zinc/61/76/09/813617609.db2.gz YTZMCMGUMJRVBK-XCRHUMRWSA-N 1 1 264.372 3.129 20 30 CGEDMO C#C[C@H]1CCC[N@H+](CC[C@H](C)CCCC(C)(C)O)C1 ZINC001207679019 813633877 /nfs/dbraw/zinc/63/38/77/813633877.db2.gz UNJNRRLMAGQQLO-CVEARBPZSA-N 1 1 265.441 3.299 20 30 CGEDMO C=CCCCCCCCCC[N@H+]1CC[C@H](O)[C@](C)(CO)C1 ZINC001207899220 813667386 /nfs/dbraw/zinc/66/73/86/813667386.db2.gz QBUGTFNIZASGTD-ROUUACIJSA-N 1 1 297.483 3.358 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCn3c(C)ncc3C2)CC1 ZINC001208171627 813725107 /nfs/dbraw/zinc/72/51/07/813725107.db2.gz WBRVJAISFQVBQI-MRXNPFEDSA-N 1 1 271.408 3.310 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCn3c(C)ncc3C2)CC1 ZINC001208171627 813725110 /nfs/dbraw/zinc/72/51/10/813725110.db2.gz WBRVJAISFQVBQI-MRXNPFEDSA-N 1 1 271.408 3.310 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@H](N(C)C)C2)CC1 ZINC001208176605 813728841 /nfs/dbraw/zinc/72/88/41/813728841.db2.gz IEDAGOXHXONSQJ-SJORKVTESA-N 1 1 262.441 3.315 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@H](N(C)C)C2)CC1 ZINC001208176605 813728845 /nfs/dbraw/zinc/72/88/45/813728845.db2.gz IEDAGOXHXONSQJ-SJORKVTESA-N 1 1 262.441 3.315 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C ZINC001208498375 813763925 /nfs/dbraw/zinc/76/39/25/813763925.db2.gz RVIPSVLBWFCPCW-INMHGKMJSA-N 1 1 280.456 3.071 20 30 CGEDMO C#CC[N@@H+](C)CCCc1ccccc1C(F)(F)F ZINC001208831993 813857559 /nfs/dbraw/zinc/85/75/59/813857559.db2.gz VKHFJXMGBMPNJR-UHFFFAOYSA-N 1 1 255.283 3.203 20 30 CGEDMO C[N@@H+]1CC=C(Nc2c(Cl)cc(Cl)cc2C#N)CC1 ZINC001208844758 813863508 /nfs/dbraw/zinc/86/35/08/813863508.db2.gz VGYICUIZALXSEG-UHFFFAOYSA-N 1 1 282.174 3.496 20 30 CGEDMO N#Cc1cccc(CCC[N@@H+]2CC[C@@]3(CC3(F)F)C2)c1 ZINC001208853318 813865868 /nfs/dbraw/zinc/86/58/68/813865868.db2.gz IDPQLNWTDKTXNF-OAHLLOKOSA-N 1 1 276.330 3.222 20 30 CGEDMO CC[N@@H+](CCCc1ccc(C#N)cc1)Cc1ccncc1 ZINC001208860038 813870989 /nfs/dbraw/zinc/87/09/89/813870989.db2.gz FVKPRONCZZCNIK-UHFFFAOYSA-N 1 1 279.387 3.408 20 30 CGEDMO C[C@@]1(F)CCC[N@@H+](CCc2ccc(C#N)cc2)CC1 ZINC001208920544 813899069 /nfs/dbraw/zinc/89/90/69/813899069.db2.gz KRFSELAXYLQDIF-MRXNPFEDSA-N 1 1 260.356 3.315 20 30 CGEDMO CCc1cc(NC2=CC[N@@H+](C)CC2)cc(CC)c1C#N ZINC001208929725 813903414 /nfs/dbraw/zinc/90/34/14/813903414.db2.gz FCXYMFWGUHXNIG-UHFFFAOYSA-N 1 1 269.392 3.314 20 30 CGEDMO CCCC[N@@H+](CCC#N)C[C@H]1CC[C@H](C(=O)OCC)CC1 ZINC001209000536 813914688 /nfs/dbraw/zinc/91/46/88/813914688.db2.gz DURREPLGMUGQIL-WKILWMFISA-N 1 1 294.439 3.372 20 30 CGEDMO CCCC[N@@H+](CCC#N)CCc1ccc2c(c1)CCO2 ZINC001209146386 813945954 /nfs/dbraw/zinc/94/59/54/813945954.db2.gz ZPSYPFRLHZPFQV-UHFFFAOYSA-N 1 1 272.392 3.180 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1cc(F)cc(F)c1 ZINC001209141216 813946550 /nfs/dbraw/zinc/94/65/50/813946550.db2.gz WEBGDLFZBMFTAH-DVSIDAKKSA-N 1 1 276.330 3.274 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2CCCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC001209158509 813952534 /nfs/dbraw/zinc/95/25/34/813952534.db2.gz PXSYLWPZECNAEF-CABCVRRESA-N 1 1 294.439 3.284 20 30 CGEDMO C=CCCC[N@@H+](CCNC(=O)OC(C)(C)C)C(C)C ZINC001209161729 813953954 /nfs/dbraw/zinc/95/39/54/813953954.db2.gz CERVODLHFIZZHT-UHFFFAOYSA-N 1 1 270.417 3.188 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCCCC(C)C)C1 ZINC001209187413 813959264 /nfs/dbraw/zinc/95/92/64/813959264.db2.gz CLGRYMYHHUZFBI-HZPDHXFCSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCCC[N@H+](C)CCc1noc(C(C)C)n1 ZINC001209201434 813965164 /nfs/dbraw/zinc/96/51/64/813965164.db2.gz LGTVGACXAZADCX-UHFFFAOYSA-N 1 1 251.374 3.024 20 30 CGEDMO C=CCCCC[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001209200975 813965485 /nfs/dbraw/zinc/96/54/85/813965485.db2.gz RDEXNKWFTOLSLI-OKILXGFUSA-N 1 1 280.412 3.036 20 30 CGEDMO C=CCCCC[N@@H+]1CCCN(c2ncccc2C)CC1 ZINC001209202502 813966164 /nfs/dbraw/zinc/96/61/64/813966164.db2.gz IYMIZFUAPNIFRT-UHFFFAOYSA-N 1 1 273.424 3.258 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@@]2(C[C@@H](CCOC)CO2)C1 ZINC001209203596 813966646 /nfs/dbraw/zinc/96/66/46/813966646.db2.gz PXJMIOXGZVQFLJ-IAGOWNOFSA-N 1 1 281.440 3.250 20 30 CGEDMO C=CCCCC[N@H+]1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC001209205266 813967340 /nfs/dbraw/zinc/96/73/40/813967340.db2.gz SUCWPDAUGZKLIG-ROUUACIJSA-N 1 1 270.420 3.301 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@@H](Oc2ncccc2OC)C1 ZINC001209208172 813967837 /nfs/dbraw/zinc/96/78/37/813967837.db2.gz LDSBACSASBSVER-OAHLLOKOSA-N 1 1 290.407 3.290 20 30 CGEDMO C=CCCCC[N@H+]1CCc2cnc(C3CC3)nc2C1 ZINC001209208687 813970129 /nfs/dbraw/zinc/97/01/29/813970129.db2.gz XUDCOVPGYBQTBA-UHFFFAOYSA-N 1 1 257.381 3.068 20 30 CGEDMO C#CCCC[N@H+](C)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001209267232 813990154 /nfs/dbraw/zinc/99/01/54/813990154.db2.gz DVLARFHTZVDEAM-HUUCEWRRSA-N 1 1 294.439 3.168 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC001209442273 814043249 /nfs/dbraw/zinc/04/32/49/814043249.db2.gz DJFIVJWOUJSHSV-OAHLLOKOSA-N 1 1 266.429 3.100 20 30 CGEDMO CCCC[N@H+](CCC#N)C[C@H](CC)NC(=O)OC(C)(C)C ZINC001209459684 814049494 /nfs/dbraw/zinc/04/94/94/814049494.db2.gz ZSUBQOLJSAFBBX-AWEZNQCLSA-N 1 1 297.443 3.305 20 30 CGEDMO CCCC[N@@H+](CCC#N)C[C@H](CC)NC(=O)OC(C)(C)C ZINC001209459684 814049502 /nfs/dbraw/zinc/04/95/02/814049502.db2.gz ZSUBQOLJSAFBBX-AWEZNQCLSA-N 1 1 297.443 3.305 20 30 CGEDMO Cc1cccc2c(C[N@@H+]3CC[C@@](C)(C#N)C3)c[nH]c21 ZINC001209494323 814062152 /nfs/dbraw/zinc/06/21/52/814062152.db2.gz PBRGVQYVRHQRAY-INIZCTEOSA-N 1 1 253.349 3.212 20 30 CGEDMO Cc1cccc2c(C[N@H+]3CC[C@@](C)(C#N)C3)c[nH]c21 ZINC001209494323 814062156 /nfs/dbraw/zinc/06/21/56/814062156.db2.gz PBRGVQYVRHQRAY-INIZCTEOSA-N 1 1 253.349 3.212 20 30 CGEDMO CN(C)c1ccccc1C[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001209773215 814136781 /nfs/dbraw/zinc/13/67/81/814136781.db2.gz PDKZNASVODYDBI-UHFFFAOYSA-N 1 1 291.398 3.183 20 30 CGEDMO CC(=O)c1ccc(Nc2ccc3[nH]c[nH+]c3c2)c(C#N)c1 ZINC001209852033 814170814 /nfs/dbraw/zinc/17/08/14/814170814.db2.gz SBPICYNCKTZYEJ-UHFFFAOYSA-N 1 1 276.299 3.381 20 30 CGEDMO COc1cccc(Nc2cc(OC)c(C)c[nH+]2)c1C#N ZINC001210124231 814300565 /nfs/dbraw/zinc/30/05/65/814300565.db2.gz VQORNMKMZLUGIB-UHFFFAOYSA-N 1 1 269.304 3.023 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3)[C@@H]2C1 ZINC001221230944 816307009 /nfs/dbraw/zinc/30/70/09/816307009.db2.gz OQRJRKXHLAECIV-KBAYOESNSA-N 1 1 298.430 3.188 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)/C(C)=C\CC)[C@@H]2C1 ZINC001221370927 816312283 /nfs/dbraw/zinc/31/22/83/816312283.db2.gz AXGLWCQNQILHDW-NWRQXLLCSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)C(C)C)[C@@H]2C1 ZINC001221436062 816314401 /nfs/dbraw/zinc/31/44/01/816314401.db2.gz JGBVWLOVFCCIMW-BRWVUGGUSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[N@@H+](CCC(=C)C)C[C@H]21 ZINC001221761740 816327252 /nfs/dbraw/zinc/32/72/52/816327252.db2.gz CQAGRZHWVULDOT-GVDBMIGSSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@H](C)CC)[C@@H]2C1 ZINC001221889406 816333181 /nfs/dbraw/zinc/33/31/81/816333181.db2.gz CHMDAMCZPPRYPL-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CCC3(C)CC3)[C@@H]2C1 ZINC001221917472 816334745 /nfs/dbraw/zinc/33/47/45/816334745.db2.gz UWARDDXSCFJFIE-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C)cc3)[C@@H]2C1 ZINC001221975125 816338482 /nfs/dbraw/zinc/33/84/82/816338482.db2.gz USSBPIHRYRBIID-QZTJIDSGSA-N 1 1 298.430 3.108 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)C(C)(C)C)[C@@H]2C1 ZINC001221978898 816338607 /nfs/dbraw/zinc/33/86/07/816338607.db2.gz IPCLIFPFQBPNBA-ARFHVFGLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H](C)C(C)C)C[C@@H]21 ZINC001222406836 816436317 /nfs/dbraw/zinc/43/63/17/816436317.db2.gz GZEVQUZDZXHVPI-ZACQAIPSSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)CCC)C[C@@H]21 ZINC001222480382 816455308 /nfs/dbraw/zinc/45/53/08/816455308.db2.gz ZMCMYNHCAMXNSE-CFVMTHIKSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)CCC)C[C@@H]21 ZINC001222480382 816455311 /nfs/dbraw/zinc/45/53/11/816455311.db2.gz ZMCMYNHCAMXNSE-CFVMTHIKSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)/C=C(\C)CC)C[C@@H]21 ZINC001222644688 816489030 /nfs/dbraw/zinc/48/90/30/816489030.db2.gz GEJGHIOFPLNZER-ODQHEUEKSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]2CC[N@@H+](C/C=C\Cl)[C@H]2C1 ZINC001222789498 816518145 /nfs/dbraw/zinc/51/81/45/816518145.db2.gz LYQQZYGTFJARTR-MIZNNLFUSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2CC[N@@H+](CC(=C)C)[C@H]2C1 ZINC001223344497 816610049 /nfs/dbraw/zinc/61/00/49/816610049.db2.gz LHVYGWZRQBSTPE-ZACQAIPSSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[C@H](C)CC)C[C@@H]21 ZINC001223745879 816674204 /nfs/dbraw/zinc/67/42/04/816674204.db2.gz SHDGFXCXCBYGHT-ZACQAIPSSA-N 1 1 292.467 3.312 20 30 CGEDMO CC#CCO[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001224358956 816786158 /nfs/dbraw/zinc/78/61/58/816786158.db2.gz OAYZNSOUIVCWKY-BCDXTJNWSA-N 1 1 269.388 3.222 20 30 CGEDMO C[C@@H](c1ccccn1)[N@H+]1CCC[C@H](OCC#CC2CC2)C1 ZINC001224849316 816893043 /nfs/dbraw/zinc/89/30/43/816893043.db2.gz BJXJLPKAQDSHPG-RDJZCZTQSA-N 1 1 284.403 3.037 20 30 CGEDMO C(#CC1CC1)CO[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001224843993 816893577 /nfs/dbraw/zinc/89/35/77/816893577.db2.gz ILSDLMYKWISOGF-SFHVURJKSA-N 1 1 269.388 3.081 20 30 CGEDMO C=C(C)[C@H]1CC=C(C)[C@@H](OCCC[NH+]2CCOCC2)C1 ZINC001224869081 816898228 /nfs/dbraw/zinc/89/82/28/816898228.db2.gz DIFYPMSHLZLSBB-IRXDYDNUSA-N 1 1 279.424 3.026 20 30 CGEDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccccc1C#N)C2 ZINC001225199291 816957301 /nfs/dbraw/zinc/95/73/01/816957301.db2.gz PDRJSAMHKAEPMG-ZSHCYNCHSA-N 1 1 270.376 3.341 20 30 CGEDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cccc(C#N)c1)C2 ZINC001225223177 816968261 /nfs/dbraw/zinc/96/82/61/816968261.db2.gz HLWCFPHSBFDOSK-QLPKVWCKSA-N 1 1 270.376 3.341 20 30 CGEDMO Cc1ccc(N2CCC[C@H](Oc3ccc(C#N)cc3)C2)[nH+]c1 ZINC001225247662 816978485 /nfs/dbraw/zinc/97/84/85/816978485.db2.gz QYJSYNMUPVZMNP-KRWDZBQOSA-N 1 1 293.370 3.310 20 30 CGEDMO O/N=C/c1cccc(O[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001226110423 817275932 /nfs/dbraw/zinc/27/59/32/817275932.db2.gz RYNHDLORVGYTQT-LPGQDOADSA-N 1 1 296.370 3.148 20 30 CGEDMO C[N@H+]1CCC[C@H](Oc2ccc3cc(C#N)ccc3c2)C1 ZINC001226812865 817472457 /nfs/dbraw/zinc/47/24/57/817472457.db2.gz GMPQOKHGESIZJO-KRWDZBQOSA-N 1 1 266.344 3.184 20 30 CGEDMO C=CCc1ccc(O[C@@H]2CCC[N@H+](CC)C2)c(OC)c1 ZINC001227927046 817756821 /nfs/dbraw/zinc/75/68/21/817756821.db2.gz PGUSWWANWUAEKC-OAHLLOKOSA-N 1 1 275.392 3.287 20 30 CGEDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc(O)ccc1C#N)C2 ZINC001228007256 817783178 /nfs/dbraw/zinc/78/31/78/817783178.db2.gz PGMPHSVHEPKLJY-FOLVSLTJSA-N 1 1 286.375 3.046 20 30 CGEDMO Cc1c(C#N)cccc1O[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001228027832 817788279 /nfs/dbraw/zinc/78/82/79/817788279.db2.gz QZKGLFCSYVPEOQ-OAHLLOKOSA-N 1 1 258.365 3.118 20 30 CGEDMO C[N@H+]1CCC[C@H](Oc2cc(Cl)ccc2C#N)CC1 ZINC001228084530 817807607 /nfs/dbraw/zinc/80/76/07/817807607.db2.gz NEFJFIISHJDPGH-ZDUSSCGKSA-N 1 1 264.756 3.075 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H](Oc2cccc3ccc(C#N)nc32)C1 ZINC001228408954 817899473 /nfs/dbraw/zinc/89/94/73/817899473.db2.gz MOIVUZWKTXKCQA-INIZCTEOSA-N 1 1 295.386 3.358 20 30 CGEDMO CCCc1cc(C)nc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C#N ZINC001228601601 817950756 /nfs/dbraw/zinc/95/07/56/817950756.db2.gz KZRVDZZGZPVNSG-MUJYYYPQSA-N 1 1 299.418 3.218 20 30 CGEDMO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1CCCC1CCCC1 ZINC001231122961 818036739 /nfs/dbraw/zinc/03/67/39/818036739.db2.gz QLMYWMFZTBAMNQ-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@H](C)CCC ZINC001231140239 818041927 /nfs/dbraw/zinc/04/19/27/818041927.db2.gz VGCAYGXPKCJRGW-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1C[C@@H](C)CC(C)C ZINC001231169505 818050538 /nfs/dbraw/zinc/05/05/38/818050538.db2.gz HVQYKTCZZRDNKT-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@H]1CCc2ccccc21 ZINC001231171200 818050591 /nfs/dbraw/zinc/05/05/91/818050591.db2.gz YWJBFTSKIZKFOL-WMZOPIPTSA-N 1 1 298.430 3.173 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@@H](C)[C@@](C)(O)CC2)c1 ZINC001231621348 818138151 /nfs/dbraw/zinc/13/81/51/818138151.db2.gz ZDVGYRZZBWDKAZ-QAPCUYQASA-N 1 1 289.419 3.234 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCC[C@@](C)(O)[C@@H](C)C2)c1 ZINC001231621152 818138645 /nfs/dbraw/zinc/13/86/45/818138645.db2.gz RPFMQKFVJYGBMJ-MAUKXSAKSA-N 1 1 289.419 3.234 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCC[C@@H]2c2cnccn2)c1 ZINC001231623773 818139469 /nfs/dbraw/zinc/13/94/69/818139469.db2.gz VMKIHZNCNBVKLE-GOSISDBHSA-N 1 1 295.386 3.379 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CC[C@@H](c3ccncc3)C2)c1 ZINC001231658876 818150396 /nfs/dbraw/zinc/15/03/96/818150396.db2.gz AFLXKLVCJDSHEI-GOSISDBHSA-N 1 1 262.356 3.052 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@H]3C[C@H]32)cc1 ZINC001231821142 818184914 /nfs/dbraw/zinc/18/49/14/818184914.db2.gz QIENRCOWARLRMR-DOTOQJQBSA-N 1 1 269.392 3.021 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@H+]2CC[C@@](C)(CF)C2)cc1 ZINC001231817278 818184961 /nfs/dbraw/zinc/18/49/61/818184961.db2.gz YJFDVGWMQHQLKW-KRWDZBQOSA-N 1 1 289.398 3.218 20 30 CGEDMO CN(Cc1cc2c[nH+]ccc2[nH]1)Cc1ccc(C#N)cc1 ZINC001232014020 818232357 /nfs/dbraw/zinc/23/23/57/818232357.db2.gz FUELUKBZHYOEFZ-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO CCOc1ccc(OC)cc1C[NH+]1CCC(C)(C#N)CC1 ZINC001232385903 818332589 /nfs/dbraw/zinc/33/25/89/818332589.db2.gz XKIROWXTOXRAAP-UHFFFAOYSA-N 1 1 288.391 3.220 20 30 CGEDMO N#Cc1ccnc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)c1 ZINC001232479789 818364076 /nfs/dbraw/zinc/36/40/76/818364076.db2.gz YINIWJSSJJXFBS-GDBMZVCRSA-N 1 1 255.365 3.108 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)ccn1)Cc1cccc2cccnc21 ZINC001232479867 818364335 /nfs/dbraw/zinc/36/43/35/818364335.db2.gz AHUYJZCDSQOCJF-UHFFFAOYSA-N 1 1 288.354 3.133 20 30 CGEDMO N#Cc1ccnc(C[N@H+]2CCC[C@H]2C2CCCCC2)c1 ZINC001232480052 818364940 /nfs/dbraw/zinc/36/49/40/818364940.db2.gz HCGFKACUEJOELC-KRWDZBQOSA-N 1 1 269.392 3.498 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc2ccccc2o1 ZINC001232558825 818386095 /nfs/dbraw/zinc/38/60/95/818386095.db2.gz YIQQXROWRFWKJU-XYYAHUGASA-N 1 1 267.332 3.094 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc2ccccc2o1 ZINC001232558825 818386100 /nfs/dbraw/zinc/38/61/00/818386100.db2.gz YIQQXROWRFWKJU-XYYAHUGASA-N 1 1 267.332 3.094 20 30 CGEDMO CCC[N@@H+](CCc1ccccn1)Cc1cc(C#N)ccc1[O-] ZINC001232678871 818417130 /nfs/dbraw/zinc/41/71/30/818417130.db2.gz SCKQGBRFUBYJFM-UHFFFAOYSA-N 1 1 295.386 3.114 20 30 CGEDMO C[C@H]1Cc2ccccc2C[N@H+]1Cc1cc(C#N)ccc1[O-] ZINC001232678233 818417208 /nfs/dbraw/zinc/41/72/08/818417208.db2.gz RDMACUKSNOHKDX-ZDUSSCGKSA-N 1 1 278.355 3.211 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1c[nH]c2cc(Cl)ncc12 ZINC001232822498 818448742 /nfs/dbraw/zinc/44/87/42/818448742.db2.gz QXEMSIXGLVMRSH-UHFFFAOYSA-N 1 1 276.771 3.342 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1c[nH]c2cc(Cl)ncc12 ZINC001232822498 818448746 /nfs/dbraw/zinc/44/87/46/818448746.db2.gz QXEMSIXGLVMRSH-UHFFFAOYSA-N 1 1 276.771 3.342 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)n1 ZINC001232925802 818474944 /nfs/dbraw/zinc/47/49/44/818474944.db2.gz QMAWSEVTQGIYEZ-XJKSGUPXSA-N 1 1 255.365 3.108 20 30 CGEDMO N#Cc1cc[nH]c1C[N@@H+]1CCC[C@H]1c1cccs1 ZINC001233044415 818508976 /nfs/dbraw/zinc/50/89/76/818508976.db2.gz OCTFSTPSPPPJIK-ZDUSSCGKSA-N 1 1 257.362 3.285 20 30 CGEDMO N#Cc1cc[nH]c1C[N@H+]1CCC[C@H]1c1cccs1 ZINC001233044415 818508981 /nfs/dbraw/zinc/50/89/81/818508981.db2.gz OCTFSTPSPPPJIK-ZDUSSCGKSA-N 1 1 257.362 3.285 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001233080212 818519048 /nfs/dbraw/zinc/51/90/48/818519048.db2.gz VBHFHGOERGMXGI-GASCZTMLSA-N 1 1 276.330 3.344 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1ccc(C#N)cc1C ZINC001233081369 818520134 /nfs/dbraw/zinc/52/01/34/818520134.db2.gz WHNXBGLUGRPWPT-UHFFFAOYSA-N 1 1 255.365 3.382 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1ccc(C#N)cc1C ZINC001233081369 818520142 /nfs/dbraw/zinc/52/01/42/818520142.db2.gz WHNXBGLUGRPWPT-UHFFFAOYSA-N 1 1 255.365 3.382 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c(C#N)c2F)[C@@H](C)C1 ZINC001233100914 818521417 /nfs/dbraw/zinc/52/14/17/818521417.db2.gz NTTVLFYRGUWNOH-OLZOCXBDSA-N 1 1 289.398 3.384 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1cccc(N)n1 ZINC001233371295 818599850 /nfs/dbraw/zinc/59/98/50/818599850.db2.gz JHSSZMGDLUQWLI-UHFFFAOYSA-N 1 1 267.376 3.242 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2O)Cc2ccccc21 ZINC001233383808 818604371 /nfs/dbraw/zinc/60/43/71/818604371.db2.gz XAQAXHGLMHTSIP-CYBMUJFWSA-N 1 1 278.355 3.383 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2O)Cc2ccccc21 ZINC001233383808 818604375 /nfs/dbraw/zinc/60/43/75/818604375.db2.gz XAQAXHGLMHTSIP-CYBMUJFWSA-N 1 1 278.355 3.383 20 30 CGEDMO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2O)Cc2ccccc21 ZINC001233383809 818604746 /nfs/dbraw/zinc/60/47/46/818604746.db2.gz XAQAXHGLMHTSIP-ZDUSSCGKSA-N 1 1 278.355 3.383 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2O)Cc2ccccc21 ZINC001233383809 818604747 /nfs/dbraw/zinc/60/47/47/818604747.db2.gz XAQAXHGLMHTSIP-ZDUSSCGKSA-N 1 1 278.355 3.383 20 30 CGEDMO CC[N@H+](Cc1ccccc1)Cc1ccc(C#N)cc1O ZINC001233383412 818605465 /nfs/dbraw/zinc/60/54/65/818605465.db2.gz GUNBGWZKKHJGPO-UHFFFAOYSA-N 1 1 266.344 3.286 20 30 CGEDMO CC[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1O ZINC001233383412 818605470 /nfs/dbraw/zinc/60/54/70/818605470.db2.gz GUNBGWZKKHJGPO-UHFFFAOYSA-N 1 1 266.344 3.286 20 30 CGEDMO N#Cc1ccc(C[N@@H+](Cc2ccccc2)C2CC2)c([O-])c1 ZINC001233386860 818606105 /nfs/dbraw/zinc/60/61/05/818606105.db2.gz LDPBKPXWHTYWMF-UHFFFAOYSA-N 1 1 278.355 3.428 20 30 CGEDMO N#Cc1ccc(C[N@H+](Cc2ccccc2)C2CC2)c(O)c1 ZINC001233386860 818606106 /nfs/dbraw/zinc/60/61/06/818606106.db2.gz LDPBKPXWHTYWMF-UHFFFAOYSA-N 1 1 278.355 3.428 20 30 CGEDMO N#Cc1ccc(C[N@@H+](Cc2ccccc2)C2CC2)c(O)c1 ZINC001233386860 818606109 /nfs/dbraw/zinc/60/61/09/818606109.db2.gz LDPBKPXWHTYWMF-UHFFFAOYSA-N 1 1 278.355 3.428 20 30 CGEDMO CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(C#N)cc1[O-] ZINC001233387408 818606974 /nfs/dbraw/zinc/60/69/74/818606974.db2.gz HYKSOESQGJWOBN-UHFFFAOYSA-N 1 1 296.370 3.295 20 30 CGEDMO CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(C#N)cc1O ZINC001233387408 818606980 /nfs/dbraw/zinc/60/69/80/818606980.db2.gz HYKSOESQGJWOBN-UHFFFAOYSA-N 1 1 296.370 3.295 20 30 CGEDMO CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(C#N)cc1O ZINC001233387408 818606985 /nfs/dbraw/zinc/60/69/85/818606985.db2.gz HYKSOESQGJWOBN-UHFFFAOYSA-N 1 1 296.370 3.295 20 30 CGEDMO COc1ccc([C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2[O-])cc1 ZINC001233386869 818606997 /nfs/dbraw/zinc/60/69/97/818606997.db2.gz LNGXCMCYAHFSEU-ZDUSSCGKSA-N 1 1 296.370 3.465 20 30 CGEDMO COc1ccc([C@H](C)[N@H+](C)Cc2ccc(C#N)cc2O)cc1 ZINC001233386869 818607002 /nfs/dbraw/zinc/60/70/02/818607002.db2.gz LNGXCMCYAHFSEU-ZDUSSCGKSA-N 1 1 296.370 3.465 20 30 CGEDMO COc1ccc([C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2O)cc1 ZINC001233386869 818607007 /nfs/dbraw/zinc/60/70/07/818607007.db2.gz LNGXCMCYAHFSEU-ZDUSSCGKSA-N 1 1 296.370 3.465 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233418706 818615180 /nfs/dbraw/zinc/61/51/80/818615180.db2.gz RTHSSTPSCMRDPK-LLVKDONJSA-N 1 1 283.293 3.256 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233418706 818615181 /nfs/dbraw/zinc/61/51/81/818615181.db2.gz RTHSSTPSCMRDPK-LLVKDONJSA-N 1 1 283.293 3.256 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCC[C@@H](C)CCC ZINC001234546426 818881128 /nfs/dbraw/zinc/88/11/28/818881128.db2.gz LITBRAFCRWXLMF-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)CCC[C@@H](C)CCC ZINC001234546560 818881726 /nfs/dbraw/zinc/88/17/26/818881726.db2.gz LXYNJOODIPGHKB-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCC[C@@H](C)CCC ZINC001234546560 818881731 /nfs/dbraw/zinc/88/17/31/818881731.db2.gz LXYNJOODIPGHKB-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)[C@@H]1CC=C(CN2CC[C@@]3(C2)C[NH2+]CC[C@H]3F)CC1 ZINC001235411027 819089756 /nfs/dbraw/zinc/08/97/56/819089756.db2.gz ZSFUCMXGXZDUCW-KURKYZTESA-N 1 1 292.442 3.313 20 30 CGEDMO C=CCCC(=O)NCCC[N@H+](C)Cc1cccc(Cl)c1 ZINC001235436463 819100329 /nfs/dbraw/zinc/10/03/29/819100329.db2.gz LZZVTMUQVHBCJT-UHFFFAOYSA-N 1 1 294.826 3.244 20 30 CGEDMO C=CCCC(=O)NCCC[N@H+](C)Cc1cc(C)cc(C)c1 ZINC001235465433 819106552 /nfs/dbraw/zinc/10/65/52/819106552.db2.gz VZPDUZIASDMZTP-UHFFFAOYSA-N 1 1 288.435 3.208 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCN[C@H](C(C)C)C2)CC1 ZINC001235473655 819107952 /nfs/dbraw/zinc/10/79/52/819107952.db2.gz QUCYFMKBUKHGAA-SJORKVTESA-N 1 1 262.441 3.219 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCN[C@H](C(C)C)C2)CC1 ZINC001235473655 819107956 /nfs/dbraw/zinc/10/79/56/819107956.db2.gz QUCYFMKBUKHGAA-SJORKVTESA-N 1 1 262.441 3.219 20 30 CGEDMO COC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccccc1CC#N ZINC001235522704 819114497 /nfs/dbraw/zinc/11/44/97/819114497.db2.gz IQGSDYMYGDZZNA-INIZCTEOSA-N 1 1 272.392 3.142 20 30 CGEDMO COc1cccc2c1C[N@H+](Cc1ccccc1CC#N)C2 ZINC001235526059 819115615 /nfs/dbraw/zinc/11/56/15/819115615.db2.gz VYLORBNMDGTIBQ-UHFFFAOYSA-N 1 1 278.355 3.277 20 30 CGEDMO COc1cccc2c1C[N@@H+](Cc1ccccc1CC#N)C2 ZINC001235526059 819115618 /nfs/dbraw/zinc/11/56/18/819115618.db2.gz VYLORBNMDGTIBQ-UHFFFAOYSA-N 1 1 278.355 3.277 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC12CC2 ZINC001235794507 819169521 /nfs/dbraw/zinc/16/95/21/819169521.db2.gz CYHFBPIKKGGVFS-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2CCc3ccc(N)cc3C2)c1O ZINC001236232313 819393416 /nfs/dbraw/zinc/39/34/16/819393416.db2.gz LZRSRJYRRLFUNJ-UHFFFAOYSA-N 1 1 294.398 3.261 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCc3c(N)cccc3C2)c1 ZINC001236365152 819435943 /nfs/dbraw/zinc/43/59/43/819435943.db2.gz FOMMWRQRCMIHBE-UHFFFAOYSA-N 1 1 294.398 3.392 20 30 CGEDMO N#Cc1ccc(-c2cc(N3CCCC3)cc[nH+]2)c(F)c1 ZINC001236527005 819517874 /nfs/dbraw/zinc/51/78/74/819517874.db2.gz LLKRRIMOMAQRAP-UHFFFAOYSA-N 1 1 267.307 3.360 20 30 CGEDMO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C#N)CC2)n1 ZINC001236645059 819559142 /nfs/dbraw/zinc/55/91/42/819559142.db2.gz YTKBHHNQGFOFLM-GFCCVEGCSA-N 1 1 263.772 3.169 20 30 CGEDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C#N)CC2)n1 ZINC001236645059 819559146 /nfs/dbraw/zinc/55/91/46/819559146.db2.gz YTKBHHNQGFOFLM-GFCCVEGCSA-N 1 1 263.772 3.169 20 30 CGEDMO C=CC[NH+]1CCN(Cc2ccc(F)c(C)c2Cl)CC1 ZINC001236712903 819579983 /nfs/dbraw/zinc/57/99/83/819579983.db2.gz ZTKHMLJKHZJTFV-UHFFFAOYSA-N 1 1 282.790 3.091 20 30 CGEDMO C#CCCC[N@H+]1CCNC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001236796961 819597919 /nfs/dbraw/zinc/59/79/19/819597919.db2.gz BMBXGDXZVUCIIU-HNNXBMFYSA-N 1 1 296.336 3.065 20 30 CGEDMO C#CCCC[N@@H+]1CCNC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001236796961 819597924 /nfs/dbraw/zinc/59/79/24/819597924.db2.gz BMBXGDXZVUCIIU-HNNXBMFYSA-N 1 1 296.336 3.065 20 30 CGEDMO Cc1c(F)c(F)ccc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001237163464 819685917 /nfs/dbraw/zinc/68/59/17/819685917.db2.gz RMINDEBBUBVHIM-GFCCVEGCSA-N 1 1 264.319 3.399 20 30 CGEDMO Cc1c(F)c(F)ccc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001237163464 819685919 /nfs/dbraw/zinc/68/59/19/819685919.db2.gz RMINDEBBUBVHIM-GFCCVEGCSA-N 1 1 264.319 3.399 20 30 CGEDMO C[N@@H+](CCc1ccccc1Cl)Cc1ccnc(C#N)c1 ZINC001237469974 819758723 /nfs/dbraw/zinc/75/87/23/819758723.db2.gz KKJZGLGYFIUTFR-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO Cn1cc(C[N@@H+](CC2CC2)C2CC2)c2cc(C#N)ccc21 ZINC001237472048 819758883 /nfs/dbraw/zinc/75/88/83/819758883.db2.gz BYFJTDNERQCNNB-UHFFFAOYSA-N 1 1 279.387 3.424 20 30 CGEDMO CCC[N@H+](Cc1cc(C#N)c(F)cc1F)CC1CC1 ZINC001237533495 819773725 /nfs/dbraw/zinc/77/37/25/819773725.db2.gz XOVWLTSUECVYTP-UHFFFAOYSA-N 1 1 264.319 3.458 20 30 CGEDMO C[C@@H]1CC[N@H+](Cc2cc(C#N)c(F)cc2F)[C@H](C)C1 ZINC001237535355 819774535 /nfs/dbraw/zinc/77/45/35/819774535.db2.gz XNOTWBCQUMRANB-GHMZBOCLSA-N 1 1 264.319 3.457 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cc(C#N)c(F)cc2F)[C@H](C)C1 ZINC001237535355 819774540 /nfs/dbraw/zinc/77/45/40/819774540.db2.gz XNOTWBCQUMRANB-GHMZBOCLSA-N 1 1 264.319 3.457 20 30 CGEDMO C[N@H+](Cc1ccncc1)Cc1cc(Cl)cc(C#N)c1 ZINC001237745790 819833671 /nfs/dbraw/zinc/83/36/71/819833671.db2.gz IMGQWKZZFUHAIL-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO C[N@@H+](Cc1ccncc1)Cc1cc(Cl)cc(C#N)c1 ZINC001237745790 819833678 /nfs/dbraw/zinc/83/36/78/819833678.db2.gz IMGQWKZZFUHAIL-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2cccc(N3CCCCC3)n2)CC1 ZINC001238001996 819910533 /nfs/dbraw/zinc/91/05/33/819910533.db2.gz AHHZVNQTXJXIQL-INIZCTEOSA-N 1 1 298.434 3.198 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC3(C2)CCOCC3)ccc1Cl ZINC001238194977 819952872 /nfs/dbraw/zinc/95/28/72/819952872.db2.gz YDCHJQMPGMUALR-UHFFFAOYSA-N 1 1 290.794 3.214 20 30 CGEDMO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)c(C#N)c1 ZINC001238199014 819954062 /nfs/dbraw/zinc/95/40/62/819954062.db2.gz OQLOGWOFBFPJBX-YIONKMFJSA-N 1 1 290.794 3.353 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(-c2cc[nH]n2)c1 ZINC001238207163 819956662 /nfs/dbraw/zinc/95/66/62/819956662.db2.gz PBJAIHUPFMHHIR-XGBSXSJOSA-N 1 1 292.386 3.343 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cnc(F)c(OC)c1 ZINC001238451887 820003587 /nfs/dbraw/zinc/00/35/87/820003587.db2.gz UPFIDBOOYOTFMR-UHFFFAOYSA-N 1 1 252.333 3.017 20 30 CGEDMO C#CC[NH+](CC#C)Cc1cc(C)cnc1-c1ccccc1 ZINC001238622162 820066206 /nfs/dbraw/zinc/06/62/06/820066206.db2.gz VAHJMICNXSFGBH-UHFFFAOYSA-N 1 1 274.367 3.125 20 30 CGEDMO CCc1cc(C[N@H+]2CCC[C@](C)(O)[C@@H](C)C2)ccc1C#N ZINC001238765623 820111010 /nfs/dbraw/zinc/11/10/10/820111010.db2.gz GLOMUJFCHUTBMC-KSSFIOAISA-N 1 1 286.419 3.104 20 30 CGEDMO C[N@H+]1CCc2cc(-c3ccccc3OCC#N)ccc2C1 ZINC001243586508 823456514 /nfs/dbraw/zinc/45/65/14/823456514.db2.gz DCTDDBLCJDXNLO-UHFFFAOYSA-N 1 1 278.355 3.244 20 30 CGEDMO COc1cc(C)[nH+]cc1/C=C/c1ccc(C#N)cc1 ZINC001239297778 820256419 /nfs/dbraw/zinc/25/64/19/820256419.db2.gz VLNHHZQDPSJPDA-BQYQJAHWSA-N 1 1 250.301 3.441 20 30 CGEDMO C[N@H+]1CCc2ccc(-c3ccc(C#N)c(F)c3)cc2C1 ZINC001240162173 820865981 /nfs/dbraw/zinc/86/59/81/820865981.db2.gz DUASNOPAYWWUSW-UHFFFAOYSA-N 1 1 266.319 3.352 20 30 CGEDMO N#Cc1cc(-c2ccc3[nH+]c(N)[nH]c3c2)ccc1Cl ZINC001240403708 821023623 /nfs/dbraw/zinc/02/36/23/821023623.db2.gz SRBRTEFAGVLWOF-UHFFFAOYSA-N 1 1 268.707 3.337 20 30 CGEDMO Cc1cccc(-c2ccc(C[NH+]3CCOCC3)cc2)c1C#N ZINC001240476207 821079209 /nfs/dbraw/zinc/07/92/09/821079209.db2.gz GWCGDHZLKJPPPG-UHFFFAOYSA-N 1 1 292.382 3.366 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1-c1ccc(OCCC#N)cc1 ZINC001241248886 821669804 /nfs/dbraw/zinc/66/98/04/821669804.db2.gz XEQYMSZAJHWWFY-UHFFFAOYSA-N 1 1 281.359 3.416 20 30 CGEDMO C[N@@H+]1CC=C(c2nc(-c3cccs3)ccc2C#N)CC1 ZINC001241312598 821723202 /nfs/dbraw/zinc/72/32/02/821723202.db2.gz HYPOWBXABJOIOX-UHFFFAOYSA-N 1 1 281.384 3.401 20 30 CGEDMO C#Cc1ccc(-c2ccccc2C[NH+]2CCOCC2)cc1 ZINC001242295082 822942042 /nfs/dbraw/zinc/94/20/42/822942042.db2.gz SZBXGBXBPCPDRB-UHFFFAOYSA-N 1 1 277.367 3.167 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)/C(C)=C/C)C(C)(C)C1 ZINC001330184635 935274826 /nfs/dbraw/zinc/27/48/26/935274826.db2.gz PFOVIVHDBYCHLE-WAYTWBJWSA-N 1 1 278.440 3.134 20 30 CGEDMO N#CC1(C[N@H+]2CCC[C@H](c3c[nH]c4ncccc34)C2)CC1 ZINC001336173782 936178605 /nfs/dbraw/zinc/17/86/05/936178605.db2.gz INLGKUCDYXZQTH-ZDUSSCGKSA-N 1 1 280.375 3.046 20 30 CGEDMO C#Cc1ccc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)nc1 ZINC001339579865 936378472 /nfs/dbraw/zinc/37/84/72/936378472.db2.gz YRTZKDKSICFDFQ-FUHWJXTLSA-N 1 1 297.446 3.154 20 30 CGEDMO C[N@H+](Cc1cc(Cl)cc(C#N)c1)C[C@@H]1CCCC[C@H]1O ZINC001340762304 936413557 /nfs/dbraw/zinc/41/35/57/936413557.db2.gz RTDUNXHCMUSXNC-GOEBONIOSA-N 1 1 292.810 3.195 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC001340988847 936422308 /nfs/dbraw/zinc/42/23/08/936422308.db2.gz DXLPFFQLZNSZHR-AWEZNQCLSA-N 1 1 294.345 3.379 20 30 CGEDMO C=CCC1(C(=O)N(C)C[C@H]2CC[N@H+]2CCCF)CCCC1 ZINC001479273196 936481233 /nfs/dbraw/zinc/48/12/33/936481233.db2.gz FCZHFIKRAYPAAV-OAHLLOKOSA-N 1 1 296.430 3.015 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](CCc2ccc(OC(F)(F)F)cc2)C1 ZINC001347145841 936872204 /nfs/dbraw/zinc/87/22/04/936872204.db2.gz PZTRMAKYDFYMIH-AWEZNQCLSA-N 1 1 298.308 3.363 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](CCc2ccc(OC(F)(F)F)cc2)C1 ZINC001347145841 936872207 /nfs/dbraw/zinc/87/22/07/936872207.db2.gz PZTRMAKYDFYMIH-AWEZNQCLSA-N 1 1 298.308 3.363 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](CN2C(=O)C[C@H]2Cc2ccccc2)C1 ZINC001350480702 936992260 /nfs/dbraw/zinc/99/22/60/936992260.db2.gz YIWLSEZGCASJAW-ZWKOTPCHSA-N 1 1 298.430 3.076 20 30 CGEDMO C[N@H+]1C[C@@H]2CC[C@H](Nc3cccc(C(F)F)c3C#N)[C@H]2C1 ZINC001354394266 937100833 /nfs/dbraw/zinc/10/08/33/937100833.db2.gz GPXGLJVUBWREHF-XEGUGMAKSA-N 1 1 291.345 3.248 20 30 CGEDMO CCC[C@]1(CO)CCC[N@H+]1CCCCC1(C#N)CCC1 ZINC001354714415 937110812 /nfs/dbraw/zinc/11/08/12/937110812.db2.gz QCXPQXXXFZYQII-QGZVFWFLSA-N 1 1 278.440 3.478 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)c1cc(F)ccc1CC ZINC001480986382 926851078 /nfs/dbraw/zinc/85/10/78/926851078.db2.gz SPUYQXOLTYXXES-UHFFFAOYSA-N 1 1 292.398 3.016 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001481084456 926882302 /nfs/dbraw/zinc/88/23/02/926882302.db2.gz WKPIHLCOMQBWMW-CVEARBPZSA-N 1 1 286.419 3.152 20 30 CGEDMO C=C(Cl)C[N@H+](CCC)CCNC(=O)C(C)=C1CCCC1 ZINC001481136199 926894710 /nfs/dbraw/zinc/89/47/10/926894710.db2.gz WCEZKTWKYJXYBT-UHFFFAOYSA-N 1 1 298.858 3.458 20 30 CGEDMO C=C(Cl)C[N@@H+](CCC)CCNC(=O)C(C)=C1CCCC1 ZINC001481136199 926894717 /nfs/dbraw/zinc/89/47/17/926894717.db2.gz WCEZKTWKYJXYBT-UHFFFAOYSA-N 1 1 298.858 3.458 20 30 CGEDMO C=CC[N@H+](CCNC(=O)C[C@@H]1CCCCC1(C)C)C1CC1 ZINC001481199512 926906994 /nfs/dbraw/zinc/90/69/94/926906994.db2.gz UAGHMGKYAOQRKV-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C[C@@H](C(=O)NCC[N@H+](CC(=C)C)C1CC1)c1ccccc1 ZINC001481200504 926907015 /nfs/dbraw/zinc/90/70/15/926907015.db2.gz OIKJUMGDAOLTHC-GOSISDBHSA-N 1 1 298.430 3.113 20 30 CGEDMO C=C(C)CC[N@H+](CCCNC(=O)c1ccoc1C)C(C)C ZINC001481348370 926962591 /nfs/dbraw/zinc/96/25/91/926962591.db2.gz XEBQZLNQJUBXRO-UHFFFAOYSA-N 1 1 292.423 3.385 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)c1ccccc1F)C(C)C ZINC001481345310 926962831 /nfs/dbraw/zinc/96/28/31/926962831.db2.gz NWWVSTZCZJOAKA-UHFFFAOYSA-N 1 1 292.398 3.232 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)[C@H](C)c1ccsc1)C(C)C ZINC001481354542 926964899 /nfs/dbraw/zinc/96/48/99/926964899.db2.gz IQBLULSTBOEGJC-CQSZACIVSA-N 1 1 294.464 3.254 20 30 CGEDMO C=CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001481384802 926973160 /nfs/dbraw/zinc/97/31/60/926973160.db2.gz YOVCHJOUUCQKQW-IYBDPMFKSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](CCNC(=O)c2cccc(C3CC3)c2)C1 ZINC001481463186 926992958 /nfs/dbraw/zinc/99/29/58/926992958.db2.gz YANUAESMTFHKEX-OAHLLOKOSA-N 1 1 298.430 3.192 20 30 CGEDMO C=CCC1(C(=O)NCC[C@@H]2CC[N@H+](C(C)C)C2)CCCC1 ZINC001481465505 926993942 /nfs/dbraw/zinc/99/39/42/926993942.db2.gz UQCZKQCKLBLVNQ-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCN(C(=O)C[C@@H](CC)C(C)C)C1 ZINC001481505924 927005942 /nfs/dbraw/zinc/00/59/42/927005942.db2.gz XKVUQXYFKWDZNQ-HZPDHXFCSA-N 1 1 280.456 3.025 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)C[C@@H](C=C)c2ccccc2)C1 ZINC001481530628 927016237 /nfs/dbraw/zinc/01/62/37/927016237.db2.gz LWDPAWKGJMGMPC-SJLPKXTDSA-N 1 1 298.430 3.113 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CCC[N@H+](CC/C=C\CC)C1 ZINC001481535215 927018357 /nfs/dbraw/zinc/01/83/57/927018357.db2.gz RGNUETDHAQYTEK-KJPDOMRESA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCC1(C(=O)NC2C[NH+](CCCC)C2)CCCCC1 ZINC001481602334 927038890 /nfs/dbraw/zinc/03/88/90/927038890.db2.gz BNUWDPDCDPNGQK-UHFFFAOYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001481710662 927072666 /nfs/dbraw/zinc/07/26/66/927072666.db2.gz LMSZRCXIEXSIAD-CQSZACIVSA-N 1 1 292.467 3.215 20 30 CGEDMO C#CCCCC(=O)N(C)[C@@H]1CC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC001481725082 927075336 /nfs/dbraw/zinc/07/53/36/927075336.db2.gz XBPOECSAUURAJR-DLBZAZTESA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC(CC=C)C(=O)N(C)[C@@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001481725739 927076203 /nfs/dbraw/zinc/07/62/03/927076203.db2.gz AIKWASDWKLVBBN-QGZVFWFLSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CC1(CC(=O)N(CC)[C@H]2CC[N@@H+](CC)C2)CCCCC1 ZINC001481774856 927085279 /nfs/dbraw/zinc/08/52/79/927085279.db2.gz ITHZZTHEULRFTN-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N(CC)[C@@H]1CC[N@@H+](CC(=C)C)C1 ZINC001481772526 927085307 /nfs/dbraw/zinc/08/53/07/927085307.db2.gz HQYPRMAKAMCKNW-JKSUJKDBSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CC[N@@H+](C)CCC1CCN(C(=O)CCCC2CC2)CC1 ZINC001482506324 927270712 /nfs/dbraw/zinc/27/07/12/927270712.db2.gz VSUJZOMFTAYBFI-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)C(C)(C)C(C)C ZINC001482599379 927318987 /nfs/dbraw/zinc/31/89/87/927318987.db2.gz VBNAGDHUMYZKBX-UHFFFAOYSA-N 1 1 268.445 3.025 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001482616191 927325861 /nfs/dbraw/zinc/32/58/61/927325861.db2.gz YTXXJLGCRZJABH-OSYLJGHBSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)C1C[C@H](C)C[C@@H](C)C1 ZINC001482653465 927336813 /nfs/dbraw/zinc/33/68/13/927336813.db2.gz PWIYLRPWZSQZNL-HZPDHXFCSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H](C)C[N@@H+](C)CC1CCCC1 ZINC001483381387 927492368 /nfs/dbraw/zinc/49/23/68/927492368.db2.gz XWBXCZHEMRMQJT-YOEHRIQHSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)CCCC[C@@H](C)CC)C1 ZINC001484045309 927666558 /nfs/dbraw/zinc/66/65/58/927666558.db2.gz PUOZJAPMRPSILI-RDJZCZTQSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](CC)CCCCC)C1 ZINC001484070080 927669125 /nfs/dbraw/zinc/66/91/25/927669125.db2.gz BRHKHSNBLDFMFV-NVXWUHKLSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)C2CC3(CC3)C2)C1 ZINC001484058154 927669832 /nfs/dbraw/zinc/66/98/32/927669832.db2.gz PVZUZWBTHGGWET-WMLDXEAASA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)C[C@H](CC)C(C)C)C1 ZINC001484067327 927669994 /nfs/dbraw/zinc/66/99/94/927669994.db2.gz IVUUCCTZHAIQQB-DOTOQJQBSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@]2(C)C=CCC2)C1 ZINC001484166569 927686381 /nfs/dbraw/zinc/68/63/81/927686381.db2.gz JSZPMIHGILETMD-ZWKOTPCHSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)C[C@H](CC)C(C)C)C1 ZINC001484173494 927686631 /nfs/dbraw/zinc/68/66/31/927686631.db2.gz KDUXFRIWJBAOIQ-WMZOPIPTSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)C(CC)CC)C[C@H]2C1 ZINC001484402519 927702129 /nfs/dbraw/zinc/70/21/29/927702129.db2.gz BHHRHOYWHMUQPI-OIISXLGYSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C=C(CC)CC ZINC001484455716 927706008 /nfs/dbraw/zinc/70/60/08/927706008.db2.gz AYGOYYVGZPLJJO-SJORKVTESA-N 1 1 290.451 3.374 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(CC)CC1 ZINC001484463665 927708473 /nfs/dbraw/zinc/70/84/73/927708473.db2.gz KBTGWRFJWSNABP-JKSUJKDBSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCCN(C(=O)/C(C)=C/C)[C@@H]2C1 ZINC001484470037 927709082 /nfs/dbraw/zinc/70/90/82/927709082.db2.gz QXRYRIIOAKACHV-SFKKROFTSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCCCC(=O)NCc1ccccc1C[N@H+](C)CC#CC ZINC001484555873 927722620 /nfs/dbraw/zinc/72/26/20/927722620.db2.gz BILFYBLJCHGKQM-UHFFFAOYSA-N 1 1 298.430 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCc2c(CNC(=O)/C(C)=C\C)cccc2C1 ZINC001484611582 927727780 /nfs/dbraw/zinc/72/77/80/927727780.db2.gz NBCUXWXJUCCQTF-WCSRMQSCSA-N 1 1 298.430 3.203 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H](NC(=O)CC)CC1 ZINC001484705753 927739247 /nfs/dbraw/zinc/73/92/47/927739247.db2.gz XFWUBKONUJSDQT-OAHLLOKOSA-N 1 1 268.445 3.338 20 30 CGEDMO C=CCCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[C@@H](F)C1 ZINC001484741751 927749464 /nfs/dbraw/zinc/74/94/64/927749464.db2.gz BXYDIQAVNBXDDH-HZPDHXFCSA-N 1 1 298.446 3.261 20 30 CGEDMO C#CC[N@H+](C)CCCN(C)C(=O)[C@H](C)CC1CCCCC1 ZINC001484761974 927751419 /nfs/dbraw/zinc/75/14/19/927751419.db2.gz ZZJVXABYMPZXOR-MRXNPFEDSA-N 1 1 292.467 3.006 20 30 CGEDMO C#CCC1(C(=O)N(C)CCC[N@H+](C)C(C)C)CCCCC1 ZINC001484768784 927755790 /nfs/dbraw/zinc/75/57/90/927755790.db2.gz GFCLHBHRZLSTEE-UHFFFAOYSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@@H]3C)cc2C1 ZINC001484874132 927763023 /nfs/dbraw/zinc/76/30/23/927763023.db2.gz GFDGZCNSIMZYEZ-KBXCAEBGSA-N 1 1 298.430 3.241 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)C(C)C)C[C@H]1C ZINC001484967515 927777729 /nfs/dbraw/zinc/77/77/29/927777729.db2.gz LRYCYBGVRHYOBS-CVEARBPZSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C(CC)(CC)CC)C[C@@H]1C ZINC001484980075 927783911 /nfs/dbraw/zinc/78/39/11/927783911.db2.gz HXVOOMUTNDQGHG-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C(CC)(CC)CC)C[C@@H]1C ZINC001484980069 927784533 /nfs/dbraw/zinc/78/45/33/927784533.db2.gz HXVOOMUTNDQGHG-GJZGRUSLSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)C1(CCC)CCC1 ZINC001485065583 927797250 /nfs/dbraw/zinc/79/72/50/927797250.db2.gz MMUKGNOPFRGPMA-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@H]2C[N@@H+](C)CCC2CC2)C1 ZINC001485069567 927800075 /nfs/dbraw/zinc/80/00/75/927800075.db2.gz PZGQKWJUUJAOOT-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)CC[C@H](C)CC ZINC001485072081 927802972 /nfs/dbraw/zinc/80/29/72/927802972.db2.gz BDVYQJHSTFTOPX-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C)C(CC)CC ZINC001485060404 927803431 /nfs/dbraw/zinc/80/34/31/927803431.db2.gz CISIRIWAQSUPLS-ZBFHGGJFSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[C@@H]1[N@H+](CC[S@](=O)C(F)(F)F)CCCC1(C)C ZINC001473432128 937199230 /nfs/dbraw/zinc/19/92/30/937199230.db2.gz IVONEZNNLFKTKG-WLRWDXFRSA-N 1 1 297.386 3.322 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)/C(C)=C/CC ZINC001485474688 927876520 /nfs/dbraw/zinc/87/65/20/927876520.db2.gz RXFZAORWGQAYCV-KMPOOHAWSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1CCCCC[N@@H+]1CC[C@@H](C)F ZINC001485480570 927880803 /nfs/dbraw/zinc/88/08/03/927880803.db2.gz PTTLFWKWNWMLTA-CABCVRRESA-N 1 1 298.446 3.308 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1C[N@H+](C/C=C/Cl)CC1(C)C ZINC001485568723 927888287 /nfs/dbraw/zinc/88/82/87/927888287.db2.gz GJXZWBORZGLIDX-GWJCSSMESA-N 1 1 298.858 3.168 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1C[N@@H+](C/C=C/Cl)CC1(C)C ZINC001485568723 927888302 /nfs/dbraw/zinc/88/83/02/927888302.db2.gz GJXZWBORZGLIDX-GWJCSSMESA-N 1 1 298.858 3.168 20 30 CGEDMO C=CCCCCC[N@H+](C)C1CCN(C(=O)[C@H]2C[C@@H]2C)CC1 ZINC001485761888 927915802 /nfs/dbraw/zinc/91/58/02/927915802.db2.gz FSRINHSVBILBOE-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+](CCCC)[C@H](Cc1ccccc1)C(=O)OCC ZINC001307685019 927940070 /nfs/dbraw/zinc/94/00/70/927940070.db2.gz QGCYNFMBGLYXKT-QGZVFWFLSA-N 1 1 289.419 3.449 20 30 CGEDMO C=CC[N@H+](CCCC)[C@H](Cc1ccccc1)C(=O)OCC ZINC001307685019 927940082 /nfs/dbraw/zinc/94/00/82/927940082.db2.gz QGCYNFMBGLYXKT-QGZVFWFLSA-N 1 1 289.419 3.449 20 30 CGEDMO C=CCCC(=O)N[C@]12CCC[C@H]1[N@@H+](C[C@H](C)CC)CC2 ZINC001486138223 927985560 /nfs/dbraw/zinc/98/55/60/927985560.db2.gz IHQXZPYNRLPMCM-INMHGKMJSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@H+]1CC[C@]2(NC(=O)C=C(C)C)CCC[C@H]12 ZINC001486141501 927989244 /nfs/dbraw/zinc/98/92/44/927989244.db2.gz URTIPIUADNXHGM-DOTOQJQBSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCCCC(=O)N[C@@]12CCC[C@@H]1[N@@H+](CC(C)C)CC2 ZINC001486147673 927989730 /nfs/dbraw/zinc/98/97/30/927989730.db2.gz KKCOVBXGPVRZAO-DOTOQJQBSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)CC(C)(C)CC)[C@@H]1C ZINC001486174569 927996494 /nfs/dbraw/zinc/99/64/94/927996494.db2.gz XEYREWBPGXHYAL-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC001494281565 928054659 /nfs/dbraw/zinc/05/46/59/928054659.db2.gz CNRWETIKHKQERL-JKSUJKDBSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCC[N@H+](CC)CCNC(=O)[C@H]1CCCC[C@H]1C ZINC001493012113 928087200 /nfs/dbraw/zinc/08/72/00/928087200.db2.gz NXLDUNUOYCNTRW-CVEARBPZSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)CC(C)(C)CC ZINC001493109273 928175805 /nfs/dbraw/zinc/17/58/05/928175805.db2.gz UHOWMNLWKVKUHY-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCc3cccc(OC)c3C2)cc1 ZINC001144568011 928198675 /nfs/dbraw/zinc/19/86/75/928198675.db2.gz HZMMHSONGWVUMD-UHFFFAOYSA-N 1 1 277.367 3.235 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001171209986 928201518 /nfs/dbraw/zinc/20/15/18/928201518.db2.gz OPQMWPRTUQRMGX-WQVCFCJDSA-N 1 1 290.357 3.466 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@](C)(CF)C1 ZINC001171210022 928201626 /nfs/dbraw/zinc/20/16/26/928201626.db2.gz OYQZEACJGZEYIP-CJNGLKHVSA-N 1 1 260.356 3.171 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001171209985 928201889 /nfs/dbraw/zinc/20/18/89/928201889.db2.gz OPQMWPRTUQRMGX-VBNZEHGJSA-N 1 1 290.357 3.466 20 30 CGEDMO N#CCC1CCC(N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC001173333072 928229846 /nfs/dbraw/zinc/22/98/46/928229846.db2.gz XGJSMBRXMNDZCW-UHFFFAOYSA-N 1 1 289.467 3.409 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)CC(C)C)C[C@@H]2C1 ZINC001489206002 928319248 /nfs/dbraw/zinc/31/92/48/928319248.db2.gz JCSRDVNITOIAQA-BBWFWOEESA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@H](C)CCC)[C@H]1C ZINC001489257738 928319995 /nfs/dbraw/zinc/31/99/95/928319995.db2.gz SZDWREBRKRHIKU-BNOWGMLFSA-N 1 1 286.847 3.144 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@H](C)CCC)[C@H]1C ZINC001489257738 928320004 /nfs/dbraw/zinc/32/00/04/928320004.db2.gz SZDWREBRKRHIKU-BNOWGMLFSA-N 1 1 286.847 3.144 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[N@H+](CC)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001493001713 928321118 /nfs/dbraw/zinc/32/11/18/928321118.db2.gz WAMCYRQRZCSDKB-OWCLPIDISA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)CC1CCCCC1 ZINC001493143201 928323948 /nfs/dbraw/zinc/32/39/48/928323948.db2.gz TUKSRSWXRMTILK-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](C)C1CC1 ZINC001489321381 928330686 /nfs/dbraw/zinc/33/06/86/928330686.db2.gz DIHRVEKWBHEAQU-ZFWWWQNUSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](C)C1CC1 ZINC001489321381 928330700 /nfs/dbraw/zinc/33/07/00/928330700.db2.gz DIHRVEKWBHEAQU-ZFWWWQNUSA-N 1 1 298.858 3.098 20 30 CGEDMO C=CCC1(C(=O)NCCC[N@H+](C)CC=C(C)C)CCC1 ZINC001490244631 928336249 /nfs/dbraw/zinc/33/62/49/928336249.db2.gz VUGDDLINPPIGKK-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CC[N@H+](C)CCCNC(=O)[C@H](C)c1ccc(Cl)cc1 ZINC001490245036 928338481 /nfs/dbraw/zinc/33/84/81/928338481.db2.gz GWKBVVMEGJGZQH-CYBMUJFWSA-N 1 1 294.826 3.068 20 30 CGEDMO C#CCC[N@H+](CC)CCCNC(=O)[C@H]1CCCC[C@H]1CC ZINC001490351126 928345581 /nfs/dbraw/zinc/34/55/81/928345581.db2.gz COCPMFDVQIYBDU-SJORKVTESA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)CSCCC)C1 ZINC001490431607 928363884 /nfs/dbraw/zinc/36/38/84/928363884.db2.gz VFVRFUHCIPDSGY-LSDHHAIUSA-N 1 1 298.496 3.065 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(CC)CC)C1 ZINC001490458701 928364079 /nfs/dbraw/zinc/36/40/79/928364079.db2.gz GEIKTFWDABQGKP-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2c(F)cccc2CC)C1 ZINC001321033906 928500031 /nfs/dbraw/zinc/50/00/31/928500031.db2.gz YZCQJMRSMQXUFY-AWEZNQCLSA-N 1 1 263.356 3.165 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H](C)C[N@@H+](C)CC1CCCC1 ZINC001322225862 928508587 /nfs/dbraw/zinc/50/85/87/928508587.db2.gz XDQPKYSKVYKEAI-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO CC(C)C[N@H+](CCC#N)Cc1c[nH]c(=O)c2ccccc12 ZINC001412946678 928722930 /nfs/dbraw/zinc/72/29/30/928722930.db2.gz HIWUNKXWKSQUOB-UHFFFAOYSA-N 1 1 283.375 3.312 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)Cc1c[nH]c(=O)c2ccccc12 ZINC001412946678 928722938 /nfs/dbraw/zinc/72/29/38/928722938.db2.gz HIWUNKXWKSQUOB-UHFFFAOYSA-N 1 1 283.375 3.312 20 30 CGEDMO C#CC[N@H+](Cc1cc2cc(OC)ccc2o1)C(C)C ZINC001462629574 928796054 /nfs/dbraw/zinc/79/60/54/928796054.db2.gz NANWWINPTBRCGE-UHFFFAOYSA-N 1 1 257.333 3.285 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]2C[N@@H+](CCC3CC3)CC[C@@H]21 ZINC001490982797 928822737 /nfs/dbraw/zinc/82/27/37/928822737.db2.gz DNQCEDTZOXKMRT-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCC=C)C1 ZINC001490986650 928824352 /nfs/dbraw/zinc/82/43/52/928824352.db2.gz RGBORIXLCAKDLB-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO CCCCCCC[N@H+]1CCCC[C@@H]1CNC(=O)CC ZINC001491190476 928841126 /nfs/dbraw/zinc/84/11/26/928841126.db2.gz BGHYFBZCMXVDRK-OAHLLOKOSA-N 1 1 268.445 3.338 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C)C(C)(C)C ZINC001491212638 928844280 /nfs/dbraw/zinc/84/42/80/928844280.db2.gz DHTBPHVQKOMVLF-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@H]2CCCC[N@H+]2CC2CCC2)C1 ZINC001491220149 928844862 /nfs/dbraw/zinc/84/48/62/928844862.db2.gz BOPYHXOPTHAEKA-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC(C)(C)C)C1 ZINC001491285869 928854118 /nfs/dbraw/zinc/85/41/18/928854118.db2.gz XIJAMZBKBYDAJR-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2(C)CCCC2)C1 ZINC001491293540 928854902 /nfs/dbraw/zinc/85/49/02/928854902.db2.gz WNOMTLOQDKQRLZ-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CC(C)(C)C)C1 ZINC001491285862 928855470 /nfs/dbraw/zinc/85/54/70/928855470.db2.gz XIJAMZBKBYDAJR-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC1(CC(=O)N2CCC[N@H+](C)C[C@H]2CC)CCCCC1 ZINC001448725182 937376380 /nfs/dbraw/zinc/37/63/80/937376380.db2.gz XEGLHSHSTMOCSK-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO Cc1cc(F)c(C#N)c(N[C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC001458461753 937463964 /nfs/dbraw/zinc/46/39/64/937463964.db2.gz LQYIEHDMUAMWNF-DOTOQJQBSA-N 1 1 287.382 3.435 20 30 CGEDMO N#CC[N@H+](C[C@H]1CCCC12CCOCC2)C1CCCC1 ZINC001459524987 937490385 /nfs/dbraw/zinc/49/03/85/937490385.db2.gz YWYWQJOYYQJPHG-OAHLLOKOSA-N 1 1 276.424 3.351 20 30 CGEDMO N#CC[N@@H+](C[C@H]1CCCC12CCOCC2)C1CCCC1 ZINC001459524987 937490386 /nfs/dbraw/zinc/49/03/86/937490386.db2.gz YWYWQJOYYQJPHG-OAHLLOKOSA-N 1 1 276.424 3.351 20 30 CGEDMO N#Cc1cccc([C@H](O)C[N@H+]2CC[C@H]2c2cccc(F)c2)c1 ZINC001459609189 937493208 /nfs/dbraw/zinc/49/32/08/937493208.db2.gz LDSQZSCASQZJGN-ZWKOTPCHSA-N 1 1 296.345 3.178 20 30 CGEDMO C=CC[N@H+](CCCN(C(=O)OC(C)(C)C)C1CC1)C1CC1 ZINC001459815445 937501507 /nfs/dbraw/zinc/50/15/07/937501507.db2.gz SHOOQGLUXOXRBC-UHFFFAOYSA-N 1 1 294.439 3.426 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)CCCCCCCNC(=O)OC(C)(C)C ZINC001460028959 937512186 /nfs/dbraw/zinc/51/21/86/937512186.db2.gz KGFNHVNVGQSUBC-HNNXBMFYSA-N 1 1 296.455 3.415 20 30 CGEDMO C=C(C)C[N@H+]1[C@H](C)CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C ZINC001460297113 937525661 /nfs/dbraw/zinc/52/56/61/937525661.db2.gz NSFNGLYKQZCENV-HZSPNIEDSA-N 1 1 282.428 3.281 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@H](N(C)CCc2ccccc2)C1 ZINC001460373294 937529201 /nfs/dbraw/zinc/52/92/01/937529201.db2.gz YFAZVZNLULXHMX-WMZOPIPTSA-N 1 1 272.436 3.200 20 30 CGEDMO C#CC[N@H+](CCCOc1c(C)cccc1C)C1CSC1 ZINC001460374710 937529591 /nfs/dbraw/zinc/52/95/91/937529591.db2.gz GLRYPADZZVILAA-UHFFFAOYSA-N 1 1 289.444 3.123 20 30 CGEDMO C=C(CC)C[N@@H+]1Cc2ccccc2N2CCC[C@H]2C1 ZINC001460689623 937540177 /nfs/dbraw/zinc/54/01/77/937540177.db2.gz JGGMNXCRBIKCSV-INIZCTEOSA-N 1 1 256.393 3.437 20 30 CGEDMO C[C@@H]1C[C@H](C)CC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC001460801455 937546232 /nfs/dbraw/zinc/54/62/32/937546232.db2.gz MEKKRKQGLRQHQB-HUUCEWRRSA-N 1 1 256.393 3.469 20 30 CGEDMO N#CC1(CC[N@H+]2CC[C@H](c3cnccn3)C2)CCCCC1 ZINC001460860037 937549641 /nfs/dbraw/zinc/54/96/41/937549641.db2.gz PJNUHPZRIGZNJA-HNNXBMFYSA-N 1 1 284.407 3.130 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1 ZINC001460863912 937550000 /nfs/dbraw/zinc/55/00/00/937550000.db2.gz HCRYYAAJRLKTNM-LKCYJCQHSA-N 1 1 296.414 3.435 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1cnc(OC)c2ccccc12 ZINC001460904344 937551980 /nfs/dbraw/zinc/55/19/80/937551980.db2.gz GCJDDNFCBFMVKB-CQSZACIVSA-N 1 1 268.360 3.394 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1ccccc1OC(F)F ZINC001460907998 937552668 /nfs/dbraw/zinc/55/26/68/937552668.db2.gz QBYNFBMVIUWHGI-LBPRGKRZSA-N 1 1 253.292 3.438 20 30 CGEDMO C#C[C@@H]1CCCC[N@@H+]1CC[C@H](C)OCc1ccccc1 ZINC001460913737 937552761 /nfs/dbraw/zinc/55/27/61/937552761.db2.gz BJZVDZMNDDURDZ-FUHWJXTLSA-N 1 1 271.404 3.470 20 30 CGEDMO C=CC[C@@H]1CC[C@H]([NH2+]CCCN2CCC(C)CC2)C1 ZINC001461014143 937559577 /nfs/dbraw/zinc/55/95/77/937559577.db2.gz QAQREWWIYCYFNZ-SJORKVTESA-N 1 1 264.457 3.443 20 30 CGEDMO CC[N@H+]1CC[C@H](Oc2ccc(C#N)cc2C(F)(F)F)C1 ZINC001227165340 932041463 /nfs/dbraw/zinc/04/14/63/932041463.db2.gz RLHLAEAPZABMIA-NSHDSACASA-N 1 1 284.281 3.050 20 30 CGEDMO C=C(C)c1ccc(O[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC001229079691 932089723 /nfs/dbraw/zinc/08/97/23/932089723.db2.gz YASZLOVIFHWTNY-HNNXBMFYSA-N 1 1 254.333 3.310 20 30 CGEDMO N#CCc1ccc(C[NH2+]Cc2cccnc2Cl)cc1 ZINC001461603690 937588227 /nfs/dbraw/zinc/58/82/27/937588227.db2.gz CZWWAFXNXTXLIE-UHFFFAOYSA-N 1 1 271.751 3.091 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)CC(CC)CC)CC1 ZINC001229763494 932481825 /nfs/dbraw/zinc/48/18/25/932481825.db2.gz QULSZOMDVRVBAL-UHFFFAOYSA-N 1 1 286.847 3.146 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC([C@H]2CCC[N@H+]2CC)CC1 ZINC001230586526 932593397 /nfs/dbraw/zinc/59/33/97/932593397.db2.gz AJGHYHRGNPPSSK-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C[C@]1(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)CCCCO1 ZINC001462001844 937612273 /nfs/dbraw/zinc/61/22/73/937612273.db2.gz OOUSBSQCJZBQLE-GOSISDBHSA-N 1 1 284.403 3.482 20 30 CGEDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc(F)ccc1C#N)C2 ZINC001230640141 932602778 /nfs/dbraw/zinc/60/27/78/932602778.db2.gz YWNDPXPZUZPICH-ZSHCYNCHSA-N 1 1 288.366 3.480 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CC1CCCC1 ZINC001230665660 932605335 /nfs/dbraw/zinc/60/53/35/932605335.db2.gz WLADEHNXCYNOAQ-RDJZCZTQSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)CC1CCCCC1 ZINC001230702493 932610772 /nfs/dbraw/zinc/61/07/72/932610772.db2.gz NDVAFMPAIXHLHW-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO N#Cc1ccc(C[NH+]2CCC(Oc3cccnc3)CC2)s1 ZINC001232843897 932683277 /nfs/dbraw/zinc/68/32/77/932683277.db2.gz HAGQIVDNQRNHFF-UHFFFAOYSA-N 1 1 299.399 3.058 20 30 CGEDMO C[N@H+]1CCC=C(c2ccc(CC#N)c(C(F)(F)F)c2)C1 ZINC001241570407 932699108 /nfs/dbraw/zinc/69/91/08/932699108.db2.gz JORCJWVZSWHOEY-UHFFFAOYSA-N 1 1 280.293 3.490 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)c1cocc1C ZINC001316599107 932743669 /nfs/dbraw/zinc/74/36/69/932743669.db2.gz AOHBMJVBICFBJP-HUUCEWRRSA-N 1 1 290.407 3.089 20 30 CGEDMO C=CC(C)(C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC/C=C\CCC ZINC001316602122 932745752 /nfs/dbraw/zinc/74/57/52/932745752.db2.gz SNEBHQFWSYWWEC-YDZSZYSISA-N 1 1 292.467 3.478 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H](C)C1CCCCC1 ZINC001316604070 932746695 /nfs/dbraw/zinc/74/66/95/932746695.db2.gz RNMLEOXTWQMRGA-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2nc3c(s2)C[C@@H](C)CC3)C1 ZINC001335329670 932776921 /nfs/dbraw/zinc/77/69/21/932776921.db2.gz LZSFMRXNGHALOL-QWHCGFSZSA-N 1 1 274.433 3.113 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(C)o2)C1 ZINC001491907694 932796207 /nfs/dbraw/zinc/79/62/07/932796207.db2.gz UDJYVTOYAJINQW-HNNXBMFYSA-N 1 1 290.407 3.091 20 30 CGEDMO C#CCCCCC(=O)N1CCC[C@H]([N@@H+](C)CCCC=C)C1 ZINC001491918370 932797060 /nfs/dbraw/zinc/79/70/60/932797060.db2.gz CCCFOAWZWBTKNK-KRWDZBQOSA-N 1 1 290.451 3.069 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)C(C)=C2CCC2)C1 ZINC001491926351 932798580 /nfs/dbraw/zinc/79/85/80/932798580.db2.gz YGNVJMVEEMEKID-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCCC(=O)NCCC[C@@H]1CCC[N@@H+]1CC1CC(C)C1 ZINC001492143107 932807334 /nfs/dbraw/zinc/80/73/34/932807334.db2.gz ZHRSUOXJRNJWCK-OFLPRAFFSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+](C)CCNC(=O)[C@@H](CC)C1CCC(C)CC1 ZINC001492272286 932813852 /nfs/dbraw/zinc/81/38/52/932813852.db2.gz MKYXGUZQBOAMGD-GPANFISMSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCNC(=O)c1cscc1Cl ZINC001492291761 932815753 /nfs/dbraw/zinc/81/57/53/932815753.db2.gz CKJVOHNSRDIDJU-UHFFFAOYSA-N 1 1 286.828 3.029 20 30 CGEDMO C=C1CC(C)(C(=O)NCC[N@H+](C)[C@H](C)c2ccccc2)C1 ZINC001492407124 932816897 /nfs/dbraw/zinc/81/68/97/932816897.db2.gz REMHTZCEDRGUGF-OAHLLOKOSA-N 1 1 286.419 3.152 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)CCC2CCC2)C1 ZINC001317370971 932856614 /nfs/dbraw/zinc/85/66/14/932856614.db2.gz PYGGYPGWYPWVPJ-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001462365800 937635774 /nfs/dbraw/zinc/63/57/74/937635774.db2.gz FYSIURCTYHXART-HNNXBMFYSA-N 1 1 286.375 3.447 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)CC(C)=C(C)C)C1 ZINC001317380106 932862886 /nfs/dbraw/zinc/86/28/86/932862886.db2.gz YLDJHMLKINZTDI-OAHLLOKOSA-N 1 1 298.858 3.408 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)CC(C)=C(C)C)C1 ZINC001317380106 932862892 /nfs/dbraw/zinc/86/28/92/932862892.db2.gz YLDJHMLKINZTDI-OAHLLOKOSA-N 1 1 298.858 3.408 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)C1CC2(CC2)C1 ZINC001317432683 932870647 /nfs/dbraw/zinc/87/06/47/932870647.db2.gz BCLFVWIHTRZTCB-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@@H]1C[C@H]1C(=O)OCC ZINC001307426856 932952003 /nfs/dbraw/zinc/95/20/03/932952003.db2.gz QSUNEBURBZPACT-LSDHHAIUSA-N 1 1 291.366 3.013 20 30 CGEDMO C#CC[N@@H+](C[C@H]1CCC2(CCC2)O1)C1CCCCC1 ZINC001307444504 932953097 /nfs/dbraw/zinc/95/30/97/932953097.db2.gz DHYCNAUKZQZWMQ-MRXNPFEDSA-N 1 1 261.409 3.356 20 30 CGEDMO C[C@@H]1CCC[C@H](C)[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC001307480026 932959251 /nfs/dbraw/zinc/95/92/51/932959251.db2.gz SZEUHPZLEDSGRD-OLZOCXBDSA-N 1 1 287.363 3.477 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001307663721 932981623 /nfs/dbraw/zinc/98/16/23/932981623.db2.gz NOTBVBRAJLKFHC-RHSMWYFYSA-N 1 1 294.439 3.284 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1ncc(-c2ccc(C)cc2)o1 ZINC001307680172 932984953 /nfs/dbraw/zinc/98/49/53/932984953.db2.gz QBYMHFBZBWYSBH-UHFFFAOYSA-N 1 1 268.360 3.494 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1ncc(-c2ccc(C)cc2)o1 ZINC001307680172 932984957 /nfs/dbraw/zinc/98/49/57/932984957.db2.gz QBYMHFBZBWYSBH-UHFFFAOYSA-N 1 1 268.360 3.494 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)[C@@H]1C=CCCCCC1 ZINC001307729696 932993083 /nfs/dbraw/zinc/99/30/83/932993083.db2.gz NZOWBAQGEVBICK-MRXNPFEDSA-N 1 1 250.430 3.315 20 30 CGEDMO C#CCCCCCC[N@H+]1CCCO[C@H](C(C)C)C1 ZINC001307794678 933001796 /nfs/dbraw/zinc/00/17/96/933001796.db2.gz QBIFOZBFUCQMTD-INIZCTEOSA-N 1 1 251.414 3.317 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@]1(O)CCc2ccccc21 ZINC001307869099 933011580 /nfs/dbraw/zinc/01/15/80/933011580.db2.gz XOVRFTCGJSKDQK-GOSISDBHSA-N 1 1 273.420 3.499 20 30 CGEDMO C=CC[N@H+](Cc1cc(OC)ccc1Cl)[C@@H](C)COC ZINC001307924792 933022183 /nfs/dbraw/zinc/02/21/83/933022183.db2.gz SYVIEHYCENDAAM-LBPRGKRZSA-N 1 1 283.799 3.372 20 30 CGEDMO C=CC[N@@H+](Cc1cc(OC)ccc1Cl)[C@@H](C)COC ZINC001307924792 933022188 /nfs/dbraw/zinc/02/21/88/933022188.db2.gz SYVIEHYCENDAAM-LBPRGKRZSA-N 1 1 283.799 3.372 20 30 CGEDMO C[N@H+](C[C@@H]1CC2(CO1)CCCCC2)[C@@H]1CCC[C@@H]1C#N ZINC001307994933 933032380 /nfs/dbraw/zinc/03/23/80/933032380.db2.gz ZIFZUGUPCJLVDP-OWCLPIDISA-N 1 1 276.424 3.350 20 30 CGEDMO C[N@@H+](C[C@@H]1CC2(CO1)CCCCC2)[C@@H]1CCC[C@@H]1C#N ZINC001307994933 933032383 /nfs/dbraw/zinc/03/23/83/933032383.db2.gz ZIFZUGUPCJLVDP-OWCLPIDISA-N 1 1 276.424 3.350 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)C[C@H]1CCC(C)(C)CO1 ZINC001308016461 933033596 /nfs/dbraw/zinc/03/35/96/933033596.db2.gz MVEWWAQAJIRLHZ-QGZVFWFLSA-N 1 1 286.419 3.238 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001308138328 933055664 /nfs/dbraw/zinc/05/56/64/933055664.db2.gz WXSJOJOJVNFVQC-AWEZNQCLSA-N 1 1 290.363 3.404 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1ccccc1CC(=O)OC ZINC001308138366 933056155 /nfs/dbraw/zinc/05/61/55/933056155.db2.gz XNPIYSAMQSHCPS-QGZVFWFLSA-N 1 1 287.403 3.333 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1CCOc1ccccc1OCC ZINC001308141075 933057003 /nfs/dbraw/zinc/05/70/03/933057003.db2.gz PFTKEKBSUJADDT-CQSZACIVSA-N 1 1 261.365 3.115 20 30 CGEDMO CC[N@H+](CCCC#N)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001308162138 933062270 /nfs/dbraw/zinc/06/22/70/933062270.db2.gz FKRMNZVOQINQGO-LBPRGKRZSA-N 1 1 277.437 3.394 20 30 CGEDMO CC[N@@H+](CCCC#N)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC001308162138 933062275 /nfs/dbraw/zinc/06/22/75/933062275.db2.gz FKRMNZVOQINQGO-LBPRGKRZSA-N 1 1 277.437 3.394 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(C)(C)CNC(=O)OC(C)(C)C ZINC001308653320 933150618 /nfs/dbraw/zinc/15/06/18/933150618.db2.gz WRMCPMDOQUZPBQ-UHFFFAOYSA-N 1 1 284.444 3.435 20 30 CGEDMO C#CCCCCCC[N@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC001308784429 933176538 /nfs/dbraw/zinc/17/65/38/933176538.db2.gz IKHFWUUUKRGENI-SJORKVTESA-N 1 1 261.409 3.214 20 30 CGEDMO C#C[C@@H](N[C@@H]1CCC[N@H+](CC)C1)c1ccc(Cl)cc1 ZINC001308794681 933178233 /nfs/dbraw/zinc/17/82/33/933178233.db2.gz BHFFNUBHXBMMER-HZPDHXFCSA-N 1 1 276.811 3.088 20 30 CGEDMO C#C[C@@H]([NH2+][C@@H]1CCCN(CC)C1)c1ccc(Cl)cc1 ZINC001308794681 933178236 /nfs/dbraw/zinc/17/82/36/933178236.db2.gz BHFFNUBHXBMMER-HZPDHXFCSA-N 1 1 276.811 3.088 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccccc2NCC)C1 ZINC001308832524 933185309 /nfs/dbraw/zinc/18/53/09/933185309.db2.gz MRUCTYWGINRHGZ-HNNXBMFYSA-N 1 1 256.393 3.354 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@@H]2C[C@]2(F)c2ccccc2)cc1F ZINC001308829106 933185846 /nfs/dbraw/zinc/18/58/46/933185846.db2.gz CDNGNMKKQGJQCD-SJORKVTESA-N 1 1 284.309 3.424 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(OCC)c(F)c2)C1 ZINC001308831250 933186002 /nfs/dbraw/zinc/18/60/02/933186002.db2.gz FTRXRHHXEXVONH-CQSZACIVSA-N 1 1 275.367 3.460 20 30 CGEDMO C=C(C)C[C@H]([NH2+]C[C@H]1C(C)=CCC[C@H]1C)C(=O)OC ZINC001308903412 933200549 /nfs/dbraw/zinc/20/05/49/933200549.db2.gz XJVALGHSFOUITQ-ILXRZTDVSA-N 1 1 265.397 3.076 20 30 CGEDMO CC#CC[N@@H+](CC)CCNC(=O)CC1CCC(C)(C)CC1 ZINC001317492988 933258272 /nfs/dbraw/zinc/25/82/72/933258272.db2.gz XZQHJTZTYWYITR-UHFFFAOYSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCCC(C)(C)NC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC001311689465 933309900 /nfs/dbraw/zinc/30/99/00/933309900.db2.gz OQMCZBLXUPZNIT-HUUCEWRRSA-N 1 1 295.471 3.151 20 30 CGEDMO C#CC[N@H+]1CCC[C@H](NC(=O)C[C@H](C)CCCCCC)C1 ZINC001316955477 933460278 /nfs/dbraw/zinc/46/02/78/933460278.db2.gz RXCKVDHQHAECIJ-SJORKVTESA-N 1 1 292.467 3.197 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)C[C@H](C)CCCCCC)C1 ZINC001316955477 933460283 /nfs/dbraw/zinc/46/02/83/933460283.db2.gz RXCKVDHQHAECIJ-SJORKVTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)CCC(=O)N1CCCC[C@H]1C[N@@H+](C)C/C=C/Cl ZINC001316802705 933483200 /nfs/dbraw/zinc/48/32/00/933483200.db2.gz PGYZTRDADYCHCQ-WGPYJDKQSA-N 1 1 298.858 3.408 20 30 CGEDMO C=CCC[N@@H+](CC)CCCNC(=O)C1(C)C(C)(C)C1(C)C ZINC001316909822 933494894 /nfs/dbraw/zinc/49/48/94/933494894.db2.gz SZHAYEHJKXGIJI-UHFFFAOYSA-N 1 1 294.483 3.463 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)c2cc(C)co2)C1 ZINC001316985679 933505711 /nfs/dbraw/zinc/50/57/11/933505711.db2.gz MDSYSQDOLZVYLA-HNNXBMFYSA-N 1 1 292.423 3.363 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)CC2(C)CCCC2)C1 ZINC001317033809 933515640 /nfs/dbraw/zinc/51/56/40/933515640.db2.gz PGWBZSPWBATUDZ-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C2CC2)C1 ZINC001317135649 933537784 /nfs/dbraw/zinc/53/77/84/933537784.db2.gz OYSGKNVHNSPFHK-ZDUSSCGKSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C2CC2)C1 ZINC001317135649 933537788 /nfs/dbraw/zinc/53/77/88/933537788.db2.gz OYSGKNVHNSPFHK-ZDUSSCGKSA-N 1 1 298.858 3.003 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)C ZINC001317166268 933545370 /nfs/dbraw/zinc/54/53/70/933545370.db2.gz LJOLPWRCHLIMLQ-MRXNPFEDSA-N 1 1 280.456 3.360 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)/C=C(\C)CC ZINC001317211655 933554418 /nfs/dbraw/zinc/55/44/18/933554418.db2.gz OIAQODJUAVYHRL-NYBVUOEISA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)CCCF)C1 ZINC001317378351 933581214 /nfs/dbraw/zinc/58/12/14/933581214.db2.gz HZDPZSMBFWUDTJ-CABCVRRESA-N 1 1 284.419 3.014 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[N@@H+](C)[C@H](C)c1ccccc1F ZINC001317458397 933596474 /nfs/dbraw/zinc/59/64/74/933596474.db2.gz GZMATVCKOXRMMA-CYBMUJFWSA-N 1 1 292.398 3.147 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[N@H+](C)[C@H](C)c1ccccc1F ZINC001317458397 933596482 /nfs/dbraw/zinc/59/64/82/933596482.db2.gz GZMATVCKOXRMMA-CYBMUJFWSA-N 1 1 292.398 3.147 20 30 CGEDMO C=CCCC[N@H+](CC)CCNC(=O)c1cc(C)c(C)s1 ZINC001317490260 933603468 /nfs/dbraw/zinc/60/34/68/933603468.db2.gz QJRBDQARCFKBNU-UHFFFAOYSA-N 1 1 294.464 3.383 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C ZINC001317543825 933615232 /nfs/dbraw/zinc/61/52/32/933615232.db2.gz XFVKIXHWIFLZMF-CVEARBPZSA-N 1 1 292.467 3.239 20 30 CGEDMO C=C(C)CC[N@H+](CCCNC(=O)c1occc1C)C(C)C ZINC001317677212 933629704 /nfs/dbraw/zinc/62/97/04/933629704.db2.gz VUIVHZQTMNJWEW-UHFFFAOYSA-N 1 1 292.423 3.385 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)[C@H]1CC[C@H](C)C1)C(C)C ZINC001317706011 933636625 /nfs/dbraw/zinc/63/66/25/933636625.db2.gz ZLOLJSZHABLWKT-HOTGVXAUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)C[C@H]2C=CCC2)C1 ZINC001317749667 933641648 /nfs/dbraw/zinc/64/16/48/933641648.db2.gz IMMDERCEAUXAEH-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)/C(C)=C/CC)C1 ZINC001317754506 933644155 /nfs/dbraw/zinc/64/41/55/933644155.db2.gz SOJWOUBQHQUCSQ-LRQZKABGSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C/C(C)=C/CC(=O)N1CC[C@@H](C[N@@H+](C)CCC(=C)C)C1 ZINC001317849494 933659711 /nfs/dbraw/zinc/65/97/11/933659711.db2.gz WGMWWRJBPQIIRV-BNSMALCHSA-N 1 1 290.451 3.255 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC(C[N@@H+](C)CC(=C)C)CC1 ZINC001317875832 933661460 /nfs/dbraw/zinc/66/14/60/933661460.db2.gz NBFJZMMXGUDXKZ-INIZCTEOSA-N 1 1 292.467 3.335 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CC1CCN(C(=O)C(C)(C)F)CC1 ZINC001317865579 933662034 /nfs/dbraw/zinc/66/20/34/933662034.db2.gz PXXYLFJYQGXHLJ-AWEZNQCLSA-N 1 1 298.446 3.260 20 30 CGEDMO C=CC1(CC(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CCCCC1 ZINC001466010248 937705793 /nfs/dbraw/zinc/70/57/93/937705793.db2.gz DTTNPXYVKXFKKR-HUUCEWRRSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC1C[NH+](CCCC(C)(C)C)C1 ZINC001318060013 933681334 /nfs/dbraw/zinc/68/13/34/933681334.db2.gz AWMWNLCVUXBIBT-KRWDZBQOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)/C=C/C(C)(C)C)C1 ZINC001318320566 933708727 /nfs/dbraw/zinc/70/87/27/933708727.db2.gz GYXKZODKHQVVMR-XXQUSICCSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)C2CCCCC2)C1 ZINC001318382406 933715938 /nfs/dbraw/zinc/71/59/38/933715938.db2.gz WKEQLJGJZYKBKM-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H](NC(=O)C23CCC(CC2)CC3)C1 ZINC001318373877 933717333 /nfs/dbraw/zinc/71/73/33/933717333.db2.gz JYUZFHUDTOXLJT-UPTPFMHGSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC(CC=C)C(=O)N(C)[C@@H]1CC[N@@H+](CCC(=C)C)C1 ZINC001318406045 933721733 /nfs/dbraw/zinc/72/17/33/933721733.db2.gz CKUYZSABKPDCIA-QGZVFWFLSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N(C)[C@H]1CC[N@H+](CC2CC(C)C2)C1 ZINC001318425366 933723035 /nfs/dbraw/zinc/72/30/35/933723035.db2.gz TZLMEACTLLFPIS-GPANFISMSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)CC)C1 ZINC001318425976 933723150 /nfs/dbraw/zinc/72/31/50/933723150.db2.gz ROWWAYBHJZFBFE-CABCVRRESA-N 1 1 280.456 3.310 20 30 CGEDMO CS[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc(F)cc2C#N)C1 ZINC001318783767 933779792 /nfs/dbraw/zinc/77/97/92/933779792.db2.gz GMTNDHDVBRNCHL-LSDHHAIUSA-N 1 1 278.396 3.413 20 30 CGEDMO C=CCC[C@@H](CCC)[NH2+]C[C@H]1CN2CCC1CC2 ZINC001474734621 933820713 /nfs/dbraw/zinc/82/07/13/933820713.db2.gz ALOWPWVOJRDUMA-JKSUJKDBSA-N 1 1 250.430 3.053 20 30 CGEDMO C#CCOCC[N@H+](C)Cc1c(C)ccc2ccccc21 ZINC001319657099 933909185 /nfs/dbraw/zinc/90/91/85/933909185.db2.gz SQNVYVZBCPTEJK-UHFFFAOYSA-N 1 1 267.372 3.230 20 30 CGEDMO C#CC[C@@H](NC(=O)Nc1cc(C)[nH+]c(C)c1)c1ccccc1 ZINC001319732448 933924114 /nfs/dbraw/zinc/92/41/14/933924114.db2.gz KPEOXGPSATZBLE-QGZVFWFLSA-N 1 1 293.370 3.006 20 30 CGEDMO C=C(C)C[N@H+](C)CCC1CCN(C(=O)/C(C)=C/CC)CC1 ZINC001319875606 933949297 /nfs/dbraw/zinc/94/92/97/933949297.db2.gz WHUMKYSZPGOWBJ-FRKPEAEDSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)C1C(C)(C)C1(C)C ZINC001319984961 933971090 /nfs/dbraw/zinc/97/10/90/933971090.db2.gz DHXOPWGFEQLOQW-UHFFFAOYSA-N 1 1 280.456 3.025 20 30 CGEDMO C=CC(C)(C)C(=O)N(C)CC[N@@H+](C)CCCC1CCC1 ZINC001320032487 933984071 /nfs/dbraw/zinc/98/40/71/933984071.db2.gz HHLFUVNJKIJYKD-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)[C@H](C)c1cccc(C)c1 ZINC001320055283 933988335 /nfs/dbraw/zinc/98/83/35/933988335.db2.gz MMFQMQFJXSMYRW-MRXNPFEDSA-N 1 1 288.435 3.065 20 30 CGEDMO C=C[C@H](COC)[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC001320305842 934027325 /nfs/dbraw/zinc/02/73/25/934027325.db2.gz HOWCIURHKZFWMD-CMPLNLGQSA-N 1 1 293.798 3.078 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccc(Cl)s2)C1 ZINC001320376602 934039845 /nfs/dbraw/zinc/03/98/45/934039845.db2.gz HAJXQEWXWMDAMK-JTQLQIEISA-N 1 1 257.786 3.178 20 30 CGEDMO C[C@H](N[C@H]1CCCC[C@@H]1[NH+](C)C)c1ccc(C#N)c(F)c1 ZINC001320671408 934086005 /nfs/dbraw/zinc/08/60/05/934086005.db2.gz ZVPAVTMAGUFFMF-ZLIFDBKOSA-N 1 1 289.398 3.221 20 30 CGEDMO N#CCc1cccc(NC[C@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC001321277722 934171498 /nfs/dbraw/zinc/17/14/98/934171498.db2.gz MEZGRCLIKQTUEL-QGZVFWFLSA-N 1 1 298.434 3.357 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)C1(F)CCCCC1 ZINC001322275228 934269575 /nfs/dbraw/zinc/26/95/75/934269575.db2.gz WFQPLLSKLPJNDN-AWEZNQCLSA-N 1 1 284.419 3.062 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC(C)=C(C)C ZINC001323693432 934418977 /nfs/dbraw/zinc/41/89/77/934418977.db2.gz NFISYCAJUWQUHT-SJORKVTESA-N 1 1 290.451 3.374 20 30 CGEDMO C[C@]1(C#N)CCC[N@H+](Cc2ccccc2N2CCCC2)C1 ZINC001323785455 934425149 /nfs/dbraw/zinc/42/51/49/934425149.db2.gz LMAWCGSSAJNSPG-GOSISDBHSA-N 1 1 283.419 3.412 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](Cc2ccccc2N2CCCC2)C1 ZINC001323785455 934425156 /nfs/dbraw/zinc/42/51/56/934425156.db2.gz LMAWCGSSAJNSPG-GOSISDBHSA-N 1 1 283.419 3.412 20 30 CGEDMO C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)CCCC(C)C)C2)C1 ZINC001323813056 934427343 /nfs/dbraw/zinc/42/73/43/934427343.db2.gz NOOXTHZEBBKZMU-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)/C(C)=C\CC)C2)C1 ZINC001323844657 934431128 /nfs/dbraw/zinc/43/11/28/934431128.db2.gz MDHQZBGHZOLPMH-BHCQIWIZSA-N 1 1 290.451 3.233 20 30 CGEDMO N#CCCOCC[N@H+]1C[C@H]2CCCC[C@]21c1ccccc1 ZINC001324266817 934478191 /nfs/dbraw/zinc/47/81/91/934478191.db2.gz NUOMNGRVPKSWLS-MSOLQXFVSA-N 1 1 284.403 3.318 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@](C)(NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001324630293 934535532 /nfs/dbraw/zinc/53/55/32/934535532.db2.gz VLRIOELHZHAURU-AEFFLSMTSA-N 1 1 290.451 3.280 20 30 CGEDMO Cc1cc(F)c(C#N)c(NCCn2cc[nH+]c2C(C)C)c1 ZINC001472881848 937787963 /nfs/dbraw/zinc/78/79/63/937787963.db2.gz AZRHMSYZLKQHFJ-UHFFFAOYSA-N 1 1 286.354 3.438 20 30 CGEDMO CCCCCCCCC[N@@H+](C)C[C@@H]1CCCS1(=O)=O ZINC001473120857 937793292 /nfs/dbraw/zinc/79/32/92/937793292.db2.gz SGZQWTFWRMHIJK-HNNXBMFYSA-N 1 1 289.485 3.246 20 30 CGEDMO CCC[C@@H]1[C@H](C)CCC[N@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001473245670 937798914 /nfs/dbraw/zinc/79/89/14/937798914.db2.gz VUFQCDRHKFVZAG-ZTFGCOKTSA-N 1 1 286.419 3.492 20 30 CGEDMO CC[C@H](C)[C@@H](C)[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC001473348412 937802218 /nfs/dbraw/zinc/80/22/18/937802218.db2.gz SNFLXPBDRCFDHX-JJRVBVJISA-N 1 1 272.392 3.366 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)c2ccoc2)C1 ZINC001324908961 934870888 /nfs/dbraw/zinc/87/08/88/934870888.db2.gz GDLKGCYHRLCTJM-QGZVFWFLSA-N 1 1 290.407 3.078 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC2(C)C)C1 ZINC001324958444 934876656 /nfs/dbraw/zinc/87/66/56/934876656.db2.gz SXLHFFKKCXQEMT-QAPCUYQASA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](CC)CCCCC)C[C@H]2C1 ZINC001325778671 934930010 /nfs/dbraw/zinc/93/00/10/934930010.db2.gz JNDBCHJDPVCEMJ-YESZJQIVSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H](F)CC ZINC001325895189 934938216 /nfs/dbraw/zinc/93/82/16/934938216.db2.gz DHAMHKULPPOMBQ-XHSDSOJGSA-N 1 1 296.430 3.156 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC(CC)CC ZINC001325917428 934939047 /nfs/dbraw/zinc/93/90/47/934939047.db2.gz BOWKVWDQGLOFJT-IAGOWNOFSA-N 1 1 292.467 3.454 20 30 CGEDMO C#CC[N@@H+](CCSCc1ccccc1)CC1CC1 ZINC001326199192 934959056 /nfs/dbraw/zinc/95/90/56/934959056.db2.gz CTEBJKWTONEFBR-UHFFFAOYSA-N 1 1 259.418 3.265 20 30 CGEDMO N#CCCC[C@@H]([NH3+])c1nc(-c2cc3ccccc3o2)no1 ZINC001326636203 934995990 /nfs/dbraw/zinc/99/59/90/934995990.db2.gz HKUYAYCUURUIBI-LLVKDONJSA-N 1 1 282.303 3.176 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCC[N@@H+](CC(=C)C)CC1 ZINC001327147355 935036054 /nfs/dbraw/zinc/03/60/54/935036054.db2.gz NZXHYTSKQTXHLY-WBVHZDCISA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC001327883640 935094221 /nfs/dbraw/zinc/09/42/21/935094221.db2.gz MNEPCKNIADOBNE-DLBZAZTESA-N 1 1 271.404 3.383 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)CC(C)C)C(C)(C)C1 ZINC001328099382 935117314 /nfs/dbraw/zinc/11/73/14/935117314.db2.gz UVDKOMWLWBPTLB-JKSUJKDBSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CC(CC)CC)C[C@H]1C ZINC001328282078 935127675 /nfs/dbraw/zinc/12/76/75/935127675.db2.gz XRGGKCCYTGNICY-GDBMZVCRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@H+](CC)CC1CCN(C(=O)/C(C)=C/C)CC1 ZINC001328575667 935149389 /nfs/dbraw/zinc/14/93/89/935149389.db2.gz XXIDHFNDEQYEQV-OMCISZLKSA-N 1 1 292.467 3.479 20 30 CGEDMO CCOc1ccc(C[N@@H+](C)[C@H](C)CCC#N)cc1OC ZINC001328597960 935151345 /nfs/dbraw/zinc/15/13/45/935151345.db2.gz KNKLZCYMKLRYBC-CYBMUJFWSA-N 1 1 276.380 3.218 20 30 CGEDMO C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C)C(CC)CC ZINC001328733258 935164398 /nfs/dbraw/zinc/16/43/98/935164398.db2.gz NETULCWHNOGDPK-RDJZCZTQSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1CCC ZINC001328764310 935168299 /nfs/dbraw/zinc/16/82/99/935168299.db2.gz KKXWIAWECOLCSY-QLFBSQMISA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1CCC ZINC001328764310 935168301 /nfs/dbraw/zinc/16/83/01/935168301.db2.gz KKXWIAWECOLCSY-QLFBSQMISA-N 1 1 298.858 3.098 20 30 CGEDMO CC#CCC[N@H+]1CCCC[C@H]1CCNC(=O)OC(C)(C)C ZINC001328778664 935169049 /nfs/dbraw/zinc/16/90/49/935169049.db2.gz FZTBBQAFOMDRMS-HNNXBMFYSA-N 1 1 294.439 3.169 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)c1ccoc1CC ZINC001329428817 935215366 /nfs/dbraw/zinc/21/53/66/935215366.db2.gz QZHYGCZQJAKRME-KBPBESRZSA-N 1 1 292.423 3.247 20 30 CGEDMO C=C1CCC(C(=O)NC[C@H](C)[N@H+](C)CCC(C)C)CC1 ZINC001329542155 935226441 /nfs/dbraw/zinc/22/64/41/935226441.db2.gz SOQCAILEMHYIAC-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)CNC(=O)CC[C@H](C)c1ccccc1 ZINC001329575480 935229092 /nfs/dbraw/zinc/22/90/92/935229092.db2.gz TYHZYNSXBBBEOZ-JKSUJKDBSA-N 1 1 288.435 3.193 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)C1CCCC1 ZINC001329592782 935230873 /nfs/dbraw/zinc/23/08/73/935230873.db2.gz UJIYAUBXBXDQEJ-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H]2CCCCC[N@@H+]2CCC)C1 ZINC001329936719 935256327 /nfs/dbraw/zinc/25/63/27/935256327.db2.gz LWLJQWRDGVJLKT-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H](NC(=O)CC2CC2)C(C)(C)C1 ZINC001330171951 935272939 /nfs/dbraw/zinc/27/29/39/935272939.db2.gz YOLNQGBNJMQNEA-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)/C=C(\C)C2CC2)C(C)(C)C1 ZINC001330175625 935273497 /nfs/dbraw/zinc/27/34/97/935273497.db2.gz KRXJIZIWSSRHHM-WSYSLRRZSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CC(C)(C)CC)C(C)(C)C1 ZINC001330204853 935276769 /nfs/dbraw/zinc/27/67/69/935276769.db2.gz WTKWYCHSSNUYIE-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C=C(C)C)C[C@H]2C1 ZINC001330445482 935289095 /nfs/dbraw/zinc/28/90/95/935289095.db2.gz LGGQVLSQJQRPGL-YESZJQIVSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)C3(CCCC)CC3)C2)C1 ZINC001330502129 935291394 /nfs/dbraw/zinc/29/13/94/935291394.db2.gz NCJXNDLHURTAMC-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2csc(C)c2C)C1 ZINC001330641196 935308007 /nfs/dbraw/zinc/30/80/07/935308007.db2.gz RVKCLEQTXQKFIQ-AWEZNQCLSA-N 1 1 251.395 3.142 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)CCC2CCC2)CC1 ZINC001331011485 935341168 /nfs/dbraw/zinc/34/11/68/935341168.db2.gz QGUNHNWYSDKDRG-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO C#CC[N@H+](CC1CC1)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC001331331258 935370532 /nfs/dbraw/zinc/37/05/32/935370532.db2.gz ZGPVTSDZAKRRHP-INIZCTEOSA-N 1 1 298.430 3.284 20 30 CGEDMO C#CC[N@@H+](CC1CC1)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC001331331258 935370538 /nfs/dbraw/zinc/37/05/38/935370538.db2.gz ZGPVTSDZAKRRHP-INIZCTEOSA-N 1 1 298.430 3.284 20 30 CGEDMO C#CC[C@@H](CCOC)Nc1[nH+]ccc2c(C)cccc21 ZINC001331553618 935393047 /nfs/dbraw/zinc/39/30/47/935393047.db2.gz HMISVBREGBNXSL-AWEZNQCLSA-N 1 1 268.360 3.384 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2occc2C)[C@H]1C ZINC001332160161 935444433 /nfs/dbraw/zinc/44/44/33/935444433.db2.gz QLIMDPJKBNWODF-CABCVRRESA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)C1CCC(F)CC1)C(C)C ZINC001332722197 935483933 /nfs/dbraw/zinc/48/39/33/935483933.db2.gz GUAWIGMSFFCTKY-UHFFFAOYSA-N 1 1 298.446 3.260 20 30 CGEDMO C#CCC[N@H+](C)CCN(C(=O)[C@@H]1CCCC[C@H]1C)C(C)C ZINC001332724662 935485363 /nfs/dbraw/zinc/48/53/63/935485363.db2.gz UMRVOFRDVUISPM-IAGOWNOFSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)CC1CC(C)(C)C1)C(C)C ZINC001332725260 935485447 /nfs/dbraw/zinc/48/54/47/935485447.db2.gz ZSEKLUCHGJBJOG-UHFFFAOYSA-N 1 1 280.456 3.168 20 30 CGEDMO C#CC[N@H+](C)CCN(C(=O)[C@@H](C)[C@@H](C)C(C)(C)C)C(C)C ZINC001332735876 935486171 /nfs/dbraw/zinc/48/61/71/935486171.db2.gz SMZWUVAXKFLKKC-JKSUJKDBSA-N 1 1 294.483 3.107 20 30 CGEDMO CO[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)CC[C@H]1C ZINC001332992451 935503351 /nfs/dbraw/zinc/50/33/51/935503351.db2.gz FLALEKPIUURQNS-HUUCEWRRSA-N 1 1 264.413 3.207 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1C[C@H](c2ccccc2)CC1=O ZINC001333724856 936059453 /nfs/dbraw/zinc/05/94/53/936059453.db2.gz JQOFIAMWIIVAKE-KURKYZTESA-N 1 1 296.414 3.143 20 30 CGEDMO C=C(C)CCC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC001335728846 936156749 /nfs/dbraw/zinc/15/67/49/936156749.db2.gz VUQJMEULFKKROI-HNNXBMFYSA-N 1 1 266.429 3.114 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cc(C)sc2C)C1 ZINC001337650442 936276551 /nfs/dbraw/zinc/27/65/51/936276551.db2.gz PZHZITFMKIVWQT-AWEZNQCLSA-N 1 1 251.395 3.142 20 30 CGEDMO CCn1cnc(Cl)c1C[NH2+]Cc1ccc(C)c(C#N)c1 ZINC001474264166 937847030 /nfs/dbraw/zinc/84/70/30/937847030.db2.gz SOJQYXOFIFVNTK-UHFFFAOYSA-N 1 1 288.782 3.026 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2N(C)C)C[C@@H]1C ZINC001474370589 937855366 /nfs/dbraw/zinc/85/53/66/937855366.db2.gz XMWBMTHMYQBQKN-KGLIPLIRSA-N 1 1 271.408 3.102 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C1(CC)CCC1 ZINC001479233782 937917910 /nfs/dbraw/zinc/91/79/10/937917910.db2.gz BQZCSXORKGVIGC-CVEARBPZSA-N 1 1 292.467 3.454 20 30 CGEDMO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@H](CC)C(C)(C)C ZINC001479255140 937918341 /nfs/dbraw/zinc/91/83/41/937918341.db2.gz KQOXOFCDNDHABN-JKSUJKDBSA-N 1 1 292.467 3.005 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@H](CC)C(C)(C)C ZINC001479255140 937918343 /nfs/dbraw/zinc/91/83/43/937918343.db2.gz KQOXOFCDNDHABN-JKSUJKDBSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCCC[N@@H+](C)CCCNC(=O)C(F)=C1CCCC1 ZINC001479765346 937925223 /nfs/dbraw/zinc/92/52/23/937925223.db2.gz MOPZHJNDNHETBL-UHFFFAOYSA-N 1 1 282.403 3.188 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)CCC2CCC2)CC(C)(C)C1 ZINC001479745067 937925360 /nfs/dbraw/zinc/92/53/60/937925360.db2.gz LYMMQJMJUAJGMP-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+](C)CCCNC(=O)c1ccc(Cl)c(F)c1 ZINC001479798036 937926027 /nfs/dbraw/zinc/92/60/27/937926027.db2.gz NNSJLHWATSEZGD-UHFFFAOYSA-N 1 1 298.789 3.107 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)[C@@H]1CCCC[C@H]1C ZINC001479853030 937927364 /nfs/dbraw/zinc/92/73/64/937927364.db2.gz YSIHVRWIRKGJSF-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@@H+](CC)CCCNC(=O)c1cscc1C ZINC001479840215 937927574 /nfs/dbraw/zinc/92/75/74/937927574.db2.gz NSFVIAVMERIKMW-UHFFFAOYSA-N 1 1 280.437 3.074 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001479909195 937929021 /nfs/dbraw/zinc/92/90/21/937929021.db2.gz YSOFHRLZPVQXJM-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CCCCCC)C2)cc1 ZINC001479959712 937929547 /nfs/dbraw/zinc/92/95/47/937929547.db2.gz GOLNIRQTYUAVQO-GOSISDBHSA-N 1 1 298.430 3.052 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H](C[N@H+](C)C[C@@H](C)CC)C1 ZINC001480081844 937931867 /nfs/dbraw/zinc/93/18/67/937931867.db2.gz LUFUETTYIVZCGG-HOTGVXAUSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)/C=C/C(C)(C)C)C1 ZINC001480248171 937935081 /nfs/dbraw/zinc/93/50/81/937935081.db2.gz KAYWCUGGQSTHJC-OFAQMXQXSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001480325965 937936336 /nfs/dbraw/zinc/93/63/36/937936336.db2.gz XWLQNQHVYTZSNU-IXDOHACOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C=C)c1ccccc1 ZINC001480333001 937936914 /nfs/dbraw/zinc/93/69/14/937936914.db2.gz VWAURDFFSBSVCD-QZTJIDSGSA-N 1 1 298.430 3.113 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)/C=C(\C)C2CC2)C1 ZINC001480376532 937937598 /nfs/dbraw/zinc/93/75/98/937937598.db2.gz OZTFILCMFVLXJH-IZMZXHESSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC001480717924 937942848 /nfs/dbraw/zinc/94/28/48/937942848.db2.gz YCILARVTTJRWKM-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)[C@]1(C)CCC[C@@H]1C ZINC001493313761 937949413 /nfs/dbraw/zinc/94/94/13/937949413.db2.gz HIDCQBSVTILRJC-DOTOQJQBSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)c1ccsc1Cl)C1CC1 ZINC001493423079 937950218 /nfs/dbraw/zinc/95/02/18/937950218.db2.gz IOBOLDLTLVWPSO-UHFFFAOYSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)/C=C(\C)CC)C1 ZINC001494134426 937953350 /nfs/dbraw/zinc/95/33/50/937953350.db2.gz ZBCKZIPZGZGYIT-STTHAQSSSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@H](C[N@@H+](C)CC2CCC2)C1 ZINC001494134989 937953352 /nfs/dbraw/zinc/95/33/52/937953352.db2.gz KNLVFGWXJXXJCX-MRXNPFEDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@](C)(CC)CCC)C1 ZINC001494165597 937953646 /nfs/dbraw/zinc/95/36/46/937953646.db2.gz FMOIUPVIVQVINP-RDJZCZTQSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)C(C)C)C1 ZINC001494163299 937953807 /nfs/dbraw/zinc/95/38/07/937953807.db2.gz PQENJCVJLCMISN-CVEARBPZSA-N 1 1 280.456 3.025 20 30 CGEDMO C=CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CC2(C)C)CC1 ZINC001494192123 937954085 /nfs/dbraw/zinc/95/40/85/937954085.db2.gz LESPVRPLVBYWMB-MRXNPFEDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC001494747531 937956090 /nfs/dbraw/zinc/95/60/90/937956090.db2.gz UVXFYQDFGSWPIF-XJKSGUPXSA-N 1 1 290.382 3.043 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@](C)(CC)CCC)C1 ZINC001494782826 937956281 /nfs/dbraw/zinc/95/62/81/937956281.db2.gz KNBRACDDGARDMD-NVXWUHKLSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C/C(C)=C/CC(=O)N(CC)[C@H]1CC[N@@H+](CC(=C)C)C1 ZINC001494910917 937957264 /nfs/dbraw/zinc/95/72/64/937957264.db2.gz QYNFBZBBALBBIX-AHQMPEJBSA-N 1 1 276.424 3.008 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCC1CCN(C(=O)CC2CC2)CC1 ZINC001496493954 937962728 /nfs/dbraw/zinc/96/27/28/937962728.db2.gz RBNAYCFKHOGVSQ-UHFFFAOYSA-N 1 1 298.858 3.100 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC12CCC2 ZINC001499073176 937972440 /nfs/dbraw/zinc/97/24/40/937972440.db2.gz VJQTVGKUWQSHTG-JKSUJKDBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCC(=C)C)C1 ZINC001499482003 937973595 /nfs/dbraw/zinc/97/35/95/937973595.db2.gz SLUHXEFOJAPLQF-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)CSC(C)C)C1 ZINC001500182709 937976383 /nfs/dbraw/zinc/97/63/83/937976383.db2.gz LUZBSOANWUTFDW-GOEBONIOSA-N 1 1 298.496 3.063 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)CCCC(C)C)C1 ZINC001500261196 937976540 /nfs/dbraw/zinc/97/65/40/937976540.db2.gz JAYSGMOMEQPFRD-OAHLLOKOSA-N 1 1 286.847 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)CCCC(C)C)C1 ZINC001500261196 937976541 /nfs/dbraw/zinc/97/65/41/937976541.db2.gz JAYSGMOMEQPFRD-OAHLLOKOSA-N 1 1 286.847 3.146 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)c2ccsc2)C1 ZINC001500472138 937977485 /nfs/dbraw/zinc/97/74/85/937977485.db2.gz MOYFJGBJAFLBME-INIZCTEOSA-N 1 1 292.448 3.156 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)CC2CC(C)(C)C2)C1 ZINC001500518547 937977825 /nfs/dbraw/zinc/97/78/25/937977825.db2.gz COKBSCXCAXGPTN-SFHVURJKSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@@H+]1CCC[C@](C)(CNC(=O)CC2CC(C)(C)C2)C1 ZINC001500518546 937977930 /nfs/dbraw/zinc/97/79/30/937977930.db2.gz COKBSCXCAXGPTN-GOSISDBHSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC(C)C ZINC001501374407 937979315 /nfs/dbraw/zinc/97/93/15/937979315.db2.gz QYZOWAZVBLLYAH-HOTGVXAUSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+]1CCc2c(CNC(=O)C3(CC)CC3)cccc2C1 ZINC001501854545 937980576 /nfs/dbraw/zinc/98/05/76/937980576.db2.gz VTNFVJGMCFUEAL-UHFFFAOYSA-N 1 1 298.430 3.037 20 30 CGEDMO C=CCCC[N@H+](C)CCCN(C)C(=O)c1cccc(F)c1 ZINC001502156634 937981750 /nfs/dbraw/zinc/98/17/50/937981750.db2.gz QMMQCPACJDQORG-UHFFFAOYSA-N 1 1 292.398 3.186 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC2(C)C)C(C)(C)C1 ZINC001502822668 937983418 /nfs/dbraw/zinc/98/34/18/937983418.db2.gz CKHOBCSAAHKAQI-HUUCEWRRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCCCC)C[C@H]1C ZINC001502903898 937983647 /nfs/dbraw/zinc/98/36/47/937983647.db2.gz VSJLQSXRDKQLKP-CABCVRRESA-N 1 1 266.429 3.112 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)CCCCC(C)C)C[C@H]1C ZINC001503003935 937984097 /nfs/dbraw/zinc/98/40/97/937984097.db2.gz URVKWZUQYXDARX-SJORKVTESA-N 1 1 292.467 3.195 20 30 CGEDMO CC[C@@H](C)C[N@@H+](C)C[C@H]1CCCN1C(=O)C#CC(C)(C)C ZINC001505430057 937985142 /nfs/dbraw/zinc/98/51/42/937985142.db2.gz YXTLRBODWAJJJD-HZPDHXFCSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)c1cocc1C ZINC001505441209 937985557 /nfs/dbraw/zinc/98/55/57/937985557.db2.gz AUJLMCWXNKNUHP-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)c1ccc(C)o1 ZINC001506017866 937988683 /nfs/dbraw/zinc/98/86/83/937988683.db2.gz SJJPHFSDFXLPGW-ZFWWWQNUSA-N 1 1 292.423 3.094 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)C[C@@H](C)CCC)C(C)(C)C1 ZINC001506733611 937991574 /nfs/dbraw/zinc/99/15/74/937991574.db2.gz ZYNYRXIEWADSOC-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)[C@@H](C)CCCC)C(C)(C)C1 ZINC001506737599 937991608 /nfs/dbraw/zinc/99/16/08/937991608.db2.gz FDHLJKDNVRDUGT-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)CC(C)(C)C)C(C)(C)C1 ZINC001506753101 937991983 /nfs/dbraw/zinc/99/19/83/937991983.db2.gz NHFQWJWXABPQFO-CQSZACIVSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)c2oc(C)cc2C)CC1 ZINC001506953924 937993019 /nfs/dbraw/zinc/99/30/19/937993019.db2.gz PIEUWMIUISQKCV-UHFFFAOYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)CCC2CC2)[C@@H]1C ZINC001507372054 937995636 /nfs/dbraw/zinc/99/56/36/937995636.db2.gz ITVCQCQRIXXRAH-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CNC(=O)C[C@H]2C=CCC2)CC1 ZINC001508187370 937998447 /nfs/dbraw/zinc/99/84/47/937998447.db2.gz PAJTWGUEUMFODY-INIZCTEOSA-N 1 1 288.435 3.057 20 30 CGEDMO CCCCCCCC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001530262597 938076858 /nfs/dbraw/zinc/07/68/58/938076858.db2.gz FQYHPNIQFBBAPL-CVEARBPZSA-N 1 1 280.456 3.480 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001542303859 938135725 /nfs/dbraw/zinc/13/57/25/938135725.db2.gz OONVUGHWQPSODI-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO CCCCCCC[C@@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001544952856 938147930 /nfs/dbraw/zinc/14/79/30/938147930.db2.gz HZTLVNFBUWBPLA-HZPDHXFCSA-N 1 1 282.472 3.441 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)/C=C(/C)c1ccccc1 ZINC001556466093 938203992 /nfs/dbraw/zinc/20/39/92/938203992.db2.gz IUPGAUOZZYCNIW-NXVVXOECSA-N 1 1 286.419 3.056 20 30 CGEDMO C=CCCCN(CC)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001558698511 938217246 /nfs/dbraw/zinc/21/72/46/938217246.db2.gz BTHNMKMDMAQSDP-UHFFFAOYSA-N 1 1 280.456 3.456 20 30 CGEDMO C=CCC[N@@H+](CCN(CC)CC)Cc1ccccc1 ZINC001559585066 938230561 /nfs/dbraw/zinc/23/05/61/938230561.db2.gz GXUPXNHCLZXDOI-UHFFFAOYSA-N 1 1 260.425 3.407 20 30 CGEDMO C=CCC[N@H+](CCN(CC)CC)Cc1ccccc1 ZINC001559585066 938230562 /nfs/dbraw/zinc/23/05/62/938230562.db2.gz GXUPXNHCLZXDOI-UHFFFAOYSA-N 1 1 260.425 3.407 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC001559727655 938233716 /nfs/dbraw/zinc/23/37/16/938233716.db2.gz ZCGNSIGRZQJXCI-MRXNPFEDSA-N 1 1 295.471 3.273 20 30 CGEDMO C[C@@H]1CC[N@@H+](CCc2ccc(C#N)cc2)CC1(C)C ZINC001559733479 938234109 /nfs/dbraw/zinc/23/41/09/938234109.db2.gz NOEAFOMIEVZVAX-CQSZACIVSA-N 1 1 256.393 3.469 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC001559821137 938236754 /nfs/dbraw/zinc/23/67/54/938236754.db2.gz SWEJFXVWXFODKU-HUUCEWRRSA-N 1 1 297.320 3.232 20 30 CGEDMO C=C(CC)CN1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC001559979193 938240578 /nfs/dbraw/zinc/24/05/78/938240578.db2.gz TWJFXDLTGWTRSZ-SFHVURJKSA-N 1 1 272.436 3.201 20 30 CGEDMO C=C(CC)C[N@@H+]1CC[C@H](N(C)CCc2ccccc2)C1 ZINC001559979193 938240579 /nfs/dbraw/zinc/24/05/79/938240579.db2.gz TWJFXDLTGWTRSZ-SFHVURJKSA-N 1 1 272.436 3.201 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@H](N(C)CCc2ccccc2)C1 ZINC001559979193 938240580 /nfs/dbraw/zinc/24/05/80/938240580.db2.gz TWJFXDLTGWTRSZ-SFHVURJKSA-N 1 1 272.436 3.201 20 30 CGEDMO C=CCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(C)C ZINC001560002977 938241532 /nfs/dbraw/zinc/24/15/32/938241532.db2.gz DFPAEZMAOOVUET-CQSZACIVSA-N 1 1 282.428 3.140 20 30 CGEDMO N#Cc1cccc([C@H](O)C[N@H+]2CCC[C@H](C3CCC3)C2)c1 ZINC001560012253 938241596 /nfs/dbraw/zinc/24/15/96/938241596.db2.gz UNTYPXBMSFPDNE-ZWKOTPCHSA-N 1 1 284.403 3.104 20 30 CGEDMO C#CCC[N@@H+](C/C=C/c1ccc(Cl)cc1)CCOC ZINC001560023691 938241862 /nfs/dbraw/zinc/24/18/62/938241862.db2.gz IPHBRBXTXQXEOS-AATRIKPKSA-N 1 1 277.795 3.325 20 30 CGEDMO CCCCCCCCC[N@H+]1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC001560097066 938243826 /nfs/dbraw/zinc/24/38/26/938243826.db2.gz OXCMSNVBBPLFGY-HZPDHXFCSA-N 1 1 280.456 3.338 20 30 CGEDMO C#CC[N@H+](Cc1ccc2scnc2c1)CC1CC1 ZINC001560672945 938269326 /nfs/dbraw/zinc/26/93/26/938269326.db2.gz ZBDYVYVECAMDHD-UHFFFAOYSA-N 1 1 256.374 3.142 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001560795164 938276272 /nfs/dbraw/zinc/27/62/72/938276272.db2.gz NSESDYVMDRYNAH-LLVKDONJSA-N 1 1 253.292 3.211 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001560795164 938276274 /nfs/dbraw/zinc/27/62/74/938276274.db2.gz NSESDYVMDRYNAH-LLVKDONJSA-N 1 1 253.292 3.211 20 30 CGEDMO COc1nc(C[NH2+]C2(c3cccc(C#N)c3)CC2)ccc1C ZINC001560825141 938277923 /nfs/dbraw/zinc/27/79/23/938277923.db2.gz CWSNYSYWLHVKAB-UHFFFAOYSA-N 1 1 293.370 3.049 20 30 CGEDMO C#Cc1ccc(C[N@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)cc1 ZINC001560841124 938278819 /nfs/dbraw/zinc/27/88/19/938278819.db2.gz JNNNLDXKWVOHFY-ZWKOTPCHSA-N 1 1 251.373 3.288 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)c1cc(C)cc(F)c1 ZINC001493023687 957849213 /nfs/dbraw/zinc/84/92/13/957849213.db2.gz PYZBFKUSPQKUHZ-UHFFFAOYSA-N 1 1 292.398 3.152 20 30 CGEDMO N#Cc1ccc(CCNc2cccc(C3CC3)[nH+]2)cc1 ZINC001156837018 958829627 /nfs/dbraw/zinc/82/96/27/958829627.db2.gz LAGHMPASLDNTCL-UHFFFAOYSA-N 1 1 263.344 3.485 20 30 CGEDMO COc1ccc2c[nH+]c(NCc3ncc(C#N)s3)cc2c1 ZINC001161003682 958835977 /nfs/dbraw/zinc/83/59/77/958835977.db2.gz UEVHBPYKYBVNMK-UHFFFAOYSA-N 1 1 296.355 3.184 20 30 CGEDMO C=CCC1(C(=O)N(C)C2C[NH+](CCCF)C2)CCCCC1 ZINC001569507574 960451430 /nfs/dbraw/zinc/45/14/30/960451430.db2.gz WPBCNUFVKBZPKW-UHFFFAOYSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)c1ccccc1C ZINC001567422009 960591347 /nfs/dbraw/zinc/59/13/47/960591347.db2.gz LWPSTKOHVSIEFK-UHFFFAOYSA-N 1 1 274.408 3.013 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)[C@H](C)CCC)C1 ZINC001567695830 960596807 /nfs/dbraw/zinc/59/68/07/960596807.db2.gz GSXYANRROKZPKM-OCCSQVGLSA-N 1 1 286.847 3.003 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)CCC2CC2)C1 ZINC001567934536 960606794 /nfs/dbraw/zinc/60/67/94/960606794.db2.gz VEVYXMDKAJOGKQ-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@](C)(CC)CCC)[C@H]1CC ZINC001566024695 960863157 /nfs/dbraw/zinc/86/31/57/960863157.db2.gz PUNGHTDMEPXQKY-ZMSDIMECSA-N 1 1 280.456 3.358 20 30 CGEDMO C#Cc1ccc(C(=O)NCCC[N@H+](C)CC/C=C/CC)cc1 ZINC001566480489 960934512 /nfs/dbraw/zinc/93/45/12/960934512.db2.gz QCRAWGBWJSJUNE-VOTSOKGWSA-N 1 1 298.430 3.076 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCCNC(=O)C1(C)CC(=C)C1 ZINC001566564824 960948969 /nfs/dbraw/zinc/94/89/69/960948969.db2.gz JBVHXDGCDRLWTB-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)[C@@]1(C)CCC[C@H]1CC)C1CC1 ZINC001566589999 960964006 /nfs/dbraw/zinc/96/40/06/960964006.db2.gz IUHPXIIUQXEQAM-QAPCUYQASA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCC[N@@H+](CC)CCCNC(=O)[C@@H]1CCCCC1(C)C ZINC001566576796 960964577 /nfs/dbraw/zinc/96/45/77/960964577.db2.gz AUJNCPCLAKWJRR-INIZCTEOSA-N 1 1 292.467 3.054 20 30 CGEDMO C#CCCCCC(=O)N[C@@H]1CC[N@H+](C[C@H](C)CC(C)C)C1 ZINC001566659416 960974066 /nfs/dbraw/zinc/97/40/66/960974066.db2.gz ABNFYNXNXCXTKB-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[C@H](C[N@@H+](C)CC(=C)C)C1 ZINC001566743332 961008432 /nfs/dbraw/zinc/00/84/32/961008432.db2.gz LXADTDYQXJWCSV-AEFFLSMTSA-N 1 1 292.467 3.335 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](CC(=C)Cl)C1 ZINC001566879098 961049294 /nfs/dbraw/zinc/04/92/94/961049294.db2.gz YLXSPMAPJWFJHZ-AWEZNQCLSA-N 1 1 298.858 3.169 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](CC(=C)Cl)C1 ZINC001566879098 961049306 /nfs/dbraw/zinc/04/93/06/961049306.db2.gz YLXSPMAPJWFJHZ-AWEZNQCLSA-N 1 1 298.858 3.169 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)/C=C(\C)C1CC1 ZINC001566914560 961052989 /nfs/dbraw/zinc/05/29/89/961052989.db2.gz BARAWSRONAIDOT-VOGRQWBCSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](C)CC ZINC001566920772 961061616 /nfs/dbraw/zinc/06/16/16/961061616.db2.gz ZPBHPJCJVLKRAA-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CCC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001566963815 961076654 /nfs/dbraw/zinc/07/66/54/961076654.db2.gz ZSSQNJZBOLNNSH-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)C2CC2)C1 ZINC001567195819 961136405 /nfs/dbraw/zinc/13/64/05/961136405.db2.gz CVJQYKRXTLCSAQ-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCCC[C@@H]1CCC[N@@H+]1CCC ZINC001567260969 961152382 /nfs/dbraw/zinc/15/23/82/961152382.db2.gz FIGCYXMRCAAIRC-WBVHZDCISA-N 1 1 280.456 3.360 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H](C)C(C)(C)C ZINC001567253389 961156103 /nfs/dbraw/zinc/15/61/03/961156103.db2.gz DIOWENRUDUQAAA-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[N@H+](C)Cc1cc(C)ccc1C ZINC001567297065 961263070 /nfs/dbraw/zinc/26/30/70/961263070.db2.gz JMAIEOGQBOHRKG-UHFFFAOYSA-N 1 1 288.435 3.064 20 30 CGEDMO C=CCCC(=O)NCC[N@@H+](C)[C@H](C)c1ccccc1Cl ZINC001567273360 961267680 /nfs/dbraw/zinc/26/76/80/961267680.db2.gz BCTQXUBFDIOJOO-CYBMUJFWSA-N 1 1 294.826 3.415 20 30 CGEDMO C=CCCC(=O)NCC[N@H+](C)[C@H](C)c1ccccc1Cl ZINC001567273360 961267701 /nfs/dbraw/zinc/26/77/01/961267701.db2.gz BCTQXUBFDIOJOO-CYBMUJFWSA-N 1 1 294.826 3.415 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)CC(C)(C)C1CC1 ZINC001567363683 961308455 /nfs/dbraw/zinc/30/84/55/961308455.db2.gz XNGYFMCUOTUGSW-AWEZNQCLSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)CC(C)(C)C1CC1 ZINC001567363683 961308473 /nfs/dbraw/zinc/30/84/73/961308473.db2.gz XNGYFMCUOTUGSW-AWEZNQCLSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCC[N@@H+]1C[C@H](C)CC(C)C ZINC001567365637 961313013 /nfs/dbraw/zinc/31/30/13/961313013.db2.gz AXFFHLGGEWNDIN-CVEARBPZSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](CNC(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001567415828 961328063 /nfs/dbraw/zinc/32/80/63/961328063.db2.gz OVSJIYQTXOKSCV-HOTGVXAUSA-N 1 1 294.483 3.463 20 30 CGEDMO C#CC[N@H+](CCCNC(=O)[C@H]1CCCC[C@@H]1CC)C(C)C ZINC001567651763 961378817 /nfs/dbraw/zinc/37/88/17/961378817.db2.gz XEIFAQBJNXQQCR-IRXDYDNUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)CC2(C)CC2)C1 ZINC001567685162 961395253 /nfs/dbraw/zinc/39/52/53/961395253.db2.gz APLAZTLWSHFMRB-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)C=C2CCC2)C1 ZINC001567697265 961406631 /nfs/dbraw/zinc/40/66/31/961406631.db2.gz ZHZDYYCEOGLYBE-DOTOQJQBSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](CCCCC)C(C)C)C1 ZINC001567882369 961449493 /nfs/dbraw/zinc/44/94/93/961449493.db2.gz ZHTWKPOZHYPVGQ-HOTGVXAUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H](CC)SC)C1 ZINC001567936118 961466030 /nfs/dbraw/zinc/46/60/30/961466030.db2.gz OJMOMSLWENTFMF-GJZGRUSLSA-N 1 1 298.496 3.017 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC2(CC[N@H+](C(C)C)C2)CC1 ZINC001568155252 961517832 /nfs/dbraw/zinc/51/78/32/961517832.db2.gz IMMDNFUXPKERBZ-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)CCC1CCN(C(=O)[C@@H](C)CCC)CC1 ZINC001568437018 961574685 /nfs/dbraw/zinc/57/46/85/961574685.db2.gz YTKRMCNKRRKJID-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)c1ccc(C)c(F)c1 ZINC001568489335 961595513 /nfs/dbraw/zinc/59/55/13/961595513.db2.gz YHMBUPRZKKIVGN-UHFFFAOYSA-N 1 1 292.398 3.104 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)c1cc(C)c(C)s1 ZINC001568503772 961603719 /nfs/dbraw/zinc/60/37/19/961603719.db2.gz JRBCBWAWWHCBKW-UHFFFAOYSA-N 1 1 294.464 3.335 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCCC)CC[C@H]21 ZINC001568508602 961604226 /nfs/dbraw/zinc/60/42/26/961604226.db2.gz NMZKSJDGRIJHMZ-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC1(C(=O)N[C@@H](C)C[N@@H+](C)CC=C(C)C)CCC1 ZINC001569135840 961699955 /nfs/dbraw/zinc/69/99/55/961699955.db2.gz GBQCDGFJTQDSEC-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)c1csc(C)c1C ZINC001569119331 961700058 /nfs/dbraw/zinc/70/00/58/961700058.db2.gz OTFDHCAHSZBLFG-LBPRGKRZSA-N 1 1 294.464 3.381 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CC[N@H+]1CC/C=C/c1ccccc1 ZINC001569350696 961744148 /nfs/dbraw/zinc/74/41/48/961744148.db2.gz OPCJDIJITDIDFS-DBEXCURXSA-N 1 1 298.430 3.247 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCCC1(C)C ZINC001569386328 961753821 /nfs/dbraw/zinc/75/38/21/961753821.db2.gz MARJAABZIZSHJF-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(C)c2)C1 ZINC001569372677 961755312 /nfs/dbraw/zinc/75/53/12/961755312.db2.gz FVFMLTQYZFNNKA-QGZVFWFLSA-N 1 1 298.430 3.042 20 30 CGEDMO C=CCC[NH+]1CC(N(C)C(=O)[C@@H](CC)CC2CCCC2)C1 ZINC001569500659 961775297 /nfs/dbraw/zinc/77/52/97/961775297.db2.gz SBMYYUUWOGCNNP-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC(=O)N1CC[C@@]2(CC[N@H+]([C@H](C)CCC=C)C2)C1 ZINC001569475293 961780007 /nfs/dbraw/zinc/78/00/07/961780007.db2.gz QZSXGBFQGWELOA-SJLPKXTDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCCC)C2 ZINC001569622366 961798378 /nfs/dbraw/zinc/79/83/78/961798378.db2.gz CIMBPHRJGZHXBQ-KRWDZBQOSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@]2(CC[N@H+](C(C)C)C2)C1 ZINC001569622092 961803654 /nfs/dbraw/zinc/80/36/54/961803654.db2.gz MTIRVYKFDBWFJU-QGZVFWFLSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](C)C2CC2)C1 ZINC001569633164 961813843 /nfs/dbraw/zinc/81/38/43/961813843.db2.gz HIYXBEFBNMCDHP-MAUKXSAKSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)/C=C(\C)C2CC2)C1 ZINC001569710407 961831756 /nfs/dbraw/zinc/83/17/56/961831756.db2.gz SEZWLWKJNOWLDC-SPQRHKFCSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)C[C@H](C=C)CC)C1 ZINC001569719872 961840225 /nfs/dbraw/zinc/84/02/25/961840225.db2.gz OZWNDJDDPOHSGN-SJLPKXTDSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C)[C@H](C)CC)C2 ZINC001569860967 961860666 /nfs/dbraw/zinc/86/06/66/961860666.db2.gz IZDFACHTTHLGLR-OVYGPGRDSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]2C[N@H+](CCC(C)C)C[C@H]21 ZINC001569919479 961874357 /nfs/dbraw/zinc/87/43/57/961874357.db2.gz LUBMPLUSVDDUFP-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCC1(C)CC1 ZINC001569915046 961875151 /nfs/dbraw/zinc/87/51/51/961875151.db2.gz MXEDTSKBFOBAQJ-CVEARBPZSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)CCC ZINC001569912109 961878337 /nfs/dbraw/zinc/87/83/37/961878337.db2.gz FBUGQQSIDCPKEG-CVEARBPZSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2C)CC1 ZINC001570181121 961914037 /nfs/dbraw/zinc/91/40/37/961914037.db2.gz CRPBIRJCPUEIEC-IXDOHACOSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CC[N@H+](C)CCCN(C)C(=O)C[C@H]1CCCCC1(C)C ZINC001570218465 961936657 /nfs/dbraw/zinc/93/66/57/961936657.db2.gz UYDBCNZDDOHUSD-MRXNPFEDSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@]2(CC[N@H+](C(C)C)C2)C1 ZINC001570273751 961940479 /nfs/dbraw/zinc/94/04/79/961940479.db2.gz VCOZOZCWPFUZHI-KRWDZBQOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)CCC2(C)CC2)C(C)(C)C1 ZINC001570397893 961955615 /nfs/dbraw/zinc/95/56/15/961955615.db2.gz QESXSYONGLMPAT-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCCCCCC(=O)N[C@@H]1CC[N@H+](C(C)C)CC1(C)C ZINC001570395827 961960327 /nfs/dbraw/zinc/96/03/27/961960327.db2.gz RCNZGFHPXNZNRM-MRXNPFEDSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1C ZINC001570728236 962053966 /nfs/dbraw/zinc/05/39/66/962053966.db2.gz LHDYADDAFRWDRE-HNNXBMFYSA-N 1 1 288.435 3.144 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2C[N@H+](CCCC)CC2(C)C)CCC1 ZINC001570904903 962106756 /nfs/dbraw/zinc/10/67/56/962106756.db2.gz LYCWXGMAYUNUHT-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC([N@@H+](C)CCC(=C)C)CC1 ZINC001571333479 962132909 /nfs/dbraw/zinc/13/29/09/962132909.db2.gz SNLGYRNMHGFTLD-MRXNPFEDSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)CCC(=O)N(C)C[C@H](C)[NH2+]C/C(Cl)=C\Cl ZINC001571389279 962149145 /nfs/dbraw/zinc/14/91/45/962149145.db2.gz IECPZLBMTKVHHN-WBOGTDJTSA-N 1 1 293.238 3.098 20 30 CGEDMO C=C(C)CCC(=O)N(C)C[C@@H](C)[NH2+]C/C(Cl)=C\Cl ZINC001571389278 962149992 /nfs/dbraw/zinc/14/99/92/962149992.db2.gz IECPZLBMTKVHHN-LAPSENCUSA-N 1 1 293.238 3.098 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)CC(C)(C)C)CCC[C@H]12 ZINC001571494576 962165608 /nfs/dbraw/zinc/16/56/08/962165608.db2.gz FSQOGJOVYRVHTI-WMLDXEAASA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)CC(C)(C)C=C)[C@@H]1C ZINC001571519605 962172893 /nfs/dbraw/zinc/17/28/93/962172893.db2.gz USQBKKVABVIYAM-GJZGRUSLSA-N 1 1 278.440 3.134 20 30 CGEDMO CC#CC[N@@H+](C)CCN(C(=O)CC(C)(C)C1CC1)C(C)C ZINC001571611778 962183321 /nfs/dbraw/zinc/18/33/21/962183321.db2.gz MELLIUYCIFJTJA-UHFFFAOYSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C(=O)CC1CCC1)C(C)C ZINC001571611125 962188582 /nfs/dbraw/zinc/18/85/82/962188582.db2.gz LVQGTVCEVIPPLU-UHFFFAOYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[C@@H]1CCC[N@H+]1C[C@@H](CN)c1ccc(OC)cc1 ZINC001574901711 962328095 /nfs/dbraw/zinc/32/80/95/962328095.db2.gz PXWZDHIHQFNFBM-IAGOWNOFSA-N 1 1 288.435 3.168 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1C[C@@H](CN)c1ccc(OC)cc1 ZINC001574901711 962328118 /nfs/dbraw/zinc/32/81/18/962328118.db2.gz PXWZDHIHQFNFBM-IAGOWNOFSA-N 1 1 288.435 3.168 20 30 CGEDMO C=CCC(C)(C)C(=O)N1C[C@H](C)[NH2+]Cc2ccc(F)cc21 ZINC001574888185 962328605 /nfs/dbraw/zinc/32/86/05/962328605.db2.gz GSQSLZTVIONUKQ-LBPRGKRZSA-N 1 1 290.382 3.253 20 30 CGEDMO C=CCCC[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001589390296 963983850 /nfs/dbraw/zinc/98/38/50/963983850.db2.gz IBVKVUSOTFTBHJ-IAGOWNOFSA-N 1 1 286.419 3.294 20 30 CGEDMO CC[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccncc1 ZINC000589821354 346812384 /nfs/dbraw/zinc/81/23/84/346812384.db2.gz QCJVXBZXCGBPDG-INIZCTEOSA-N 1 1 269.323 3.333 20 30 CGEDMO C=CC[N@H+](CCc1cncn1C)CC1CCCCC1 ZINC000297652412 260131420 /nfs/dbraw/zinc/13/14/20/260131420.db2.gz IZZJKJBVFPSQAF-UHFFFAOYSA-N 1 1 261.413 3.031 20 30 CGEDMO CC[C@H]1CC[C@@H](C)[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000124639477 187147165 /nfs/dbraw/zinc/14/71/65/187147165.db2.gz PSEBUTACNHMMSL-CJNGLKHVSA-N 1 1 285.391 3.150 20 30 CGEDMO C#CCCC[N@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000273040620 192027849 /nfs/dbraw/zinc/02/78/49/192027849.db2.gz WRRGBTZFZQDITA-OAHLLOKOSA-N 1 1 297.320 3.492 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cc(F)c(OC)cc1OC ZINC000651605592 398257732 /nfs/dbraw/zinc/25/77/32/398257732.db2.gz MKFSAPLKFFFUOA-UHFFFAOYSA-N 1 1 265.328 3.017 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000589990843 346820892 /nfs/dbraw/zinc/82/08/92/346820892.db2.gz PAQBXXYYSSNWDW-OAHLLOKOSA-N 1 1 295.361 3.157 20 30 CGEDMO C[C@@H]1CCN(Cc2ccccc2)CC[N@H+]1[C@H]1CC[C@H](C#N)C1 ZINC000590162496 346833285 /nfs/dbraw/zinc/83/32/85/346833285.db2.gz SUPVXCSZMRDSRU-NEWSRXKRSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1[C@H]1CC[C@H](C#N)C1 ZINC000590162496 346833287 /nfs/dbraw/zinc/83/32/87/346833287.db2.gz SUPVXCSZMRDSRU-NEWSRXKRSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1[C@H]1CC[C@H](C#N)C1 ZINC000590162496 346833291 /nfs/dbraw/zinc/83/32/91/346833291.db2.gz SUPVXCSZMRDSRU-NEWSRXKRSA-N 1 1 297.446 3.275 20 30 CGEDMO C=CC[C@H]1CC[C@@H]([NH2+]C2CCN(CC3CC3)CC2)C1 ZINC000651682218 398268376 /nfs/dbraw/zinc/26/83/76/398268376.db2.gz QHMNHAHRCJQLML-WMLDXEAASA-N 1 1 262.441 3.195 20 30 CGEDMO C=CCC[C@@H]([NH2+][C@H](C)CC1CCC1)C(=O)OCC ZINC000590661509 346861178 /nfs/dbraw/zinc/86/11/78/346861178.db2.gz FKCYZZLLVWSRTJ-TZMCWYRMSA-N 1 1 253.386 3.053 20 30 CGEDMO N#Cc1ccccc1OCC[N@H+]1CCC[C@H]1c1ccncc1 ZINC000125436401 187184751 /nfs/dbraw/zinc/18/47/51/187184751.db2.gz QEZKUCAIOGHYFU-KRWDZBQOSA-N 1 1 293.370 3.169 20 30 CGEDMO C=CC[C@@H]1CC[C@@H]([NH2+]CCc2ccc3cn[nH]c3c2)C1 ZINC000651796961 398289187 /nfs/dbraw/zinc/28/91/87/398289187.db2.gz OBERLQBNEFWVEZ-CZUORRHYSA-N 1 1 269.392 3.440 20 30 CGEDMO C[C@H]([NH2+]Cc1cc(C#N)cs1)c1ccncc1F ZINC000337940137 214321778 /nfs/dbraw/zinc/32/17/78/214321778.db2.gz CITUMWRNLRGYMC-VIFPVBQESA-N 1 1 261.325 3.005 20 30 CGEDMO Cc1ccc(C[N@H+](C)Cc2ccc(F)c(C#N)c2)nc1 ZINC000590754646 346871701 /nfs/dbraw/zinc/87/17/01/346871701.db2.gz MMNCZYPNCCKISB-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO Cc1ccc(C[N@@H+](C)Cc2ccc(F)c(C#N)c2)nc1 ZINC000590754646 346871704 /nfs/dbraw/zinc/87/17/04/346871704.db2.gz MMNCZYPNCCKISB-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCSC[C@H]1C1CC1 ZINC000590758752 346872206 /nfs/dbraw/zinc/87/22/06/346872206.db2.gz VOOKPUBLKOGYOJ-INIZCTEOSA-N 1 1 272.417 3.194 20 30 CGEDMO COC[C@@H]1CCCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000590764697 346872804 /nfs/dbraw/zinc/87/28/04/346872804.db2.gz BWMWCZABNXIUFX-KRWDZBQOSA-N 1 1 286.419 3.489 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000591014875 346894130 /nfs/dbraw/zinc/89/41/30/346894130.db2.gz QLTLFMIRLROXLT-ZFWWWQNUSA-N 1 1 260.406 3.469 20 30 CGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](C3CCC3)C2)cc1 ZINC000591061910 346897220 /nfs/dbraw/zinc/89/72/20/346897220.db2.gz NTYULPANXYTBRH-MRXNPFEDSA-N 1 1 297.402 3.009 20 30 CGEDMO C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1cc2n(n1)CCC2 ZINC000591241459 346910910 /nfs/dbraw/zinc/91/09/10/346910910.db2.gz VEBZYRDUQBSKNL-SJKOYZFVSA-N 1 1 292.386 3.039 20 30 CGEDMO CC(C)([NH2+]Cc1ccncc1C#N)c1cccc(F)c1 ZINC000592105727 346963325 /nfs/dbraw/zinc/96/33/25/346963325.db2.gz XOIWHURBKGFCKN-UHFFFAOYSA-N 1 1 269.323 3.117 20 30 CGEDMO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2ccncc2C#N)C1 ZINC000592070061 346960091 /nfs/dbraw/zinc/96/00/91/346960091.db2.gz DLTWFKJYAVIWDA-GJZGRUSLSA-N 1 1 275.421 3.059 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)CCC[C@@H]1CCOC1 ZINC000592073422 346961439 /nfs/dbraw/zinc/96/14/39/346961439.db2.gz YHGYBLUKFAXPTM-CQSZACIVSA-N 1 1 252.402 3.065 20 30 CGEDMO Cc1c(C)c(C)c(C[N@H+]2CC[C@@](O)(CC#N)C2)c(C)c1C ZINC000592149628 346966871 /nfs/dbraw/zinc/96/68/71/346966871.db2.gz SJRDJMVGBCJIMS-SFHVURJKSA-N 1 1 286.419 3.079 20 30 CGEDMO Cc1cc(C)c([C@@H](C)[N@H+]2CC[C@@](O)(CC#N)C2)c(C)c1 ZINC000592151567 346967835 /nfs/dbraw/zinc/96/78/35/346967835.db2.gz NPFFZAZEYXPRAB-WBVHZDCISA-N 1 1 272.392 3.023 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCOC[C@H]2C2CCC2)cc1 ZINC000592153593 346967968 /nfs/dbraw/zinc/96/79/68/346967968.db2.gz CAIZYFPCMNGZLU-SFHVURJKSA-N 1 1 298.430 3.489 20 30 CGEDMO C[C@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)CC2(CCCC2)O1 ZINC000592195343 346971351 /nfs/dbraw/zinc/97/13/51/346971351.db2.gz RNJPTKWBTKVNFS-ZDUSSCGKSA-N 1 1 288.366 3.231 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)CC2(CCCC2)O1 ZINC000592195343 346971353 /nfs/dbraw/zinc/97/13/53/346971353.db2.gz RNJPTKWBTKVNFS-ZDUSSCGKSA-N 1 1 288.366 3.231 20 30 CGEDMO CC(C)C[C@@H](C[N@H+]1CC[C@@](O)(CC#N)C1)c1ccccc1 ZINC000592521798 346995387 /nfs/dbraw/zinc/99/53/87/346995387.db2.gz CBSXKOBNDCSQPY-ROUUACIJSA-N 1 1 286.419 3.167 20 30 CGEDMO N#CC[C@]1(O)CC[N@@H+](Cc2cc(-c3ccccc3)cs2)C1 ZINC000592522399 346995635 /nfs/dbraw/zinc/99/56/35/346995635.db2.gz AJPMSKZKWTVUMK-KRWDZBQOSA-N 1 1 298.411 3.266 20 30 CGEDMO CC[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@@H]1CCCOC1 ZINC000593071031 347036092 /nfs/dbraw/zinc/03/60/92/347036092.db2.gz ZKVUJFQCKPHDGK-MRXNPFEDSA-N 1 1 286.419 3.489 20 30 CGEDMO CCn1cc(C[N@@H+](Cc2ccc(C#N)c(C)c2)C(C)C)cn1 ZINC000593079856 347036501 /nfs/dbraw/zinc/03/65/01/347036501.db2.gz LGOPIZUUIBAXMR-UHFFFAOYSA-N 1 1 296.418 3.494 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593115240 347041144 /nfs/dbraw/zinc/04/11/44/347041144.db2.gz BBPJVBHEKIDJBQ-ZDUSSCGKSA-N 1 1 256.340 3.438 20 30 CGEDMO N#CCCC[N@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000593122934 347042969 /nfs/dbraw/zinc/04/29/69/347042969.db2.gz BXTDEHFSMDZPTM-ULQDDVLXSA-N 1 1 270.376 3.285 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1Cl)C1CCC(CO)CC1 ZINC000439455120 529983930 /nfs/dbraw/zinc/98/39/30/529983930.db2.gz SZVJPTYREVHXIW-UHFFFAOYSA-N 1 1 292.810 3.195 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccccc1C(F)(F)F ZINC000054182209 260216997 /nfs/dbraw/zinc/21/69/97/260216997.db2.gz YOPQZCSLPBNRLK-NSHDSACASA-N 1 1 256.271 3.487 20 30 CGEDMO CCC[C@H](C)[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000030269978 344922373 /nfs/dbraw/zinc/92/23/73/344922373.db2.gz IIRHCFVSJTVBDD-NSHDSACASA-N 1 1 279.409 3.069 20 30 CGEDMO CC(C)[N@@H+](CCOc1ccc(C#N)cc1)CC1CC1 ZINC000042253443 344980812 /nfs/dbraw/zinc/98/08/12/344980812.db2.gz HEXISGNQEILOAP-UHFFFAOYSA-N 1 1 258.365 3.057 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+](CC)Cc1cccc(F)c1 ZINC000050274879 345079542 /nfs/dbraw/zinc/07/95/42/345079542.db2.gz ZYVPJMKMRJMSEA-UHFFFAOYSA-N 1 1 292.398 3.072 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+](CC)Cc1cccc(F)c1 ZINC000050274879 345079547 /nfs/dbraw/zinc/07/95/47/345079547.db2.gz ZYVPJMKMRJMSEA-UHFFFAOYSA-N 1 1 292.398 3.072 20 30 CGEDMO N#Cc1c(Cl)cccc1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000048336240 345064815 /nfs/dbraw/zinc/06/48/15/345064815.db2.gz LZWYBJAWZYMMAB-NSHDSACASA-N 1 1 275.783 3.108 20 30 CGEDMO C[N@H+](CCCC#N)CCCOc1ccc(Cl)cc1 ZINC000052451081 345103287 /nfs/dbraw/zinc/10/32/87/345103287.db2.gz VXYRRQAYSGWYOT-UHFFFAOYSA-N 1 1 266.772 3.344 20 30 CGEDMO C[C@@H]1CC[C@H]([N@@H+](CCO)Cc2ccc(C#N)cc2Cl)C1 ZINC000351630302 219153747 /nfs/dbraw/zinc/15/37/47/219153747.db2.gz QXEQXPKVVYVFFU-DOMZBBRYSA-N 1 1 292.810 3.195 20 30 CGEDMO C[C@H](c1ccc(F)c(F)c1)[NH+]1CCC(C#N)CC1 ZINC000057872903 345190032 /nfs/dbraw/zinc/19/00/32/345190032.db2.gz RQSCVDGXDXXYBE-SNVBAGLBSA-N 1 1 250.292 3.261 20 30 CGEDMO C[N@@H+](CCOc1ccc(C#N)cc1)CCc1ccc(F)cc1 ZINC000055022634 345141804 /nfs/dbraw/zinc/14/18/04/345141804.db2.gz ABZGJTQLUYBSKU-UHFFFAOYSA-N 1 1 298.361 3.251 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)N[C@H](C)c1ccc(CC)cc1 ZINC000061758550 345232796 /nfs/dbraw/zinc/23/27/96/345232796.db2.gz HSVYSCJLGCEMHG-OAHLLOKOSA-N 1 1 288.435 3.324 20 30 CGEDMO C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C1CCCCC1 ZINC000058874318 345202388 /nfs/dbraw/zinc/20/23/88/345202388.db2.gz QFLGNPVOZFKYMG-UHFFFAOYSA-N 1 1 299.418 3.198 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1c(O)ccc2ccccc21 ZINC000064111170 345257396 /nfs/dbraw/zinc/25/73/96/345257396.db2.gz MKEANFRNIHRHCF-UHFFFAOYSA-N 1 1 254.333 3.281 20 30 CGEDMO C[C@H](CC#N)[N@H+](C)CCCOc1ccc(Cl)cc1 ZINC000064932189 345267333 /nfs/dbraw/zinc/26/73/33/345267333.db2.gz VUGBRYHDUBNJDX-GFCCVEGCSA-N 1 1 266.772 3.343 20 30 CGEDMO C[C@H](CC#N)[N@@H+](C)CCCOc1ccc(Cl)cc1 ZINC000064932189 345267336 /nfs/dbraw/zinc/26/73/36/345267336.db2.gz VUGBRYHDUBNJDX-GFCCVEGCSA-N 1 1 266.772 3.343 20 30 CGEDMO CC[N@@H+](CCCOc1ccccc1C)C[C@H](C)C#N ZINC000065536214 345274260 /nfs/dbraw/zinc/27/42/60/345274260.db2.gz RJVNWANFGSUYEP-CQSZACIVSA-N 1 1 260.381 3.246 20 30 CGEDMO N#CCSCCC[N@H+]1CCC[C@H]1COc1ccccc1 ZINC000074990876 345489820 /nfs/dbraw/zinc/48/98/20/345489820.db2.gz LXCVUUFVYJVWQS-HNNXBMFYSA-N 1 1 290.432 3.177 20 30 CGEDMO CCC(C)(C)[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000074320964 345466435 /nfs/dbraw/zinc/46/64/35/345466435.db2.gz VCYZYPVTWMUTFA-UHFFFAOYSA-N 1 1 287.407 3.054 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@H](C)C1 ZINC000075766084 345522795 /nfs/dbraw/zinc/52/27/95/345522795.db2.gz LONUZOOOZIZACO-CHWSQXEVSA-N 1 1 296.374 3.229 20 30 CGEDMO C=CCCC[N@H+](C)Cc1nnc(-c2ccccc2)o1 ZINC000076738131 345548647 /nfs/dbraw/zinc/54/86/47/345548647.db2.gz BHCCTYHRBCBYDG-UHFFFAOYSA-N 1 1 257.337 3.135 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)Nc1cccc(CC)c1 ZINC000076734946 345548852 /nfs/dbraw/zinc/54/88/52/345548852.db2.gz WGZMEIQRMMOKRL-UHFFFAOYSA-N 1 1 260.381 3.086 20 30 CGEDMO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccccc1F ZINC000077183497 345558828 /nfs/dbraw/zinc/55/88/28/345558828.db2.gz BUSNRQVCOBBHCH-UHFFFAOYSA-N 1 1 298.361 3.346 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccc1F ZINC000077183497 345558830 /nfs/dbraw/zinc/55/88/30/345558830.db2.gz BUSNRQVCOBBHCH-UHFFFAOYSA-N 1 1 298.361 3.346 20 30 CGEDMO Cc1[nH+]ccn1CCCCNc1cccc(F)c1C#N ZINC000078336324 345601483 /nfs/dbraw/zinc/60/14/83/345601483.db2.gz BKCHTPOUMKLKOQ-UHFFFAOYSA-N 1 1 272.327 3.095 20 30 CGEDMO CCC[N@H+]1CC[C@H](CNc2ccc(C#N)c(Cl)c2)C1 ZINC000091457734 345815303 /nfs/dbraw/zinc/81/53/03/345815303.db2.gz SYAANUYTPBGDRJ-GFCCVEGCSA-N 1 1 277.799 3.355 20 30 CGEDMO C=CCCC[C@@H](C)[N@@H+](CC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000091537190 345817684 /nfs/dbraw/zinc/81/76/84/345817684.db2.gz DFJJOUZTPSVQCX-CQSZACIVSA-N 1 1 299.418 3.490 20 30 CGEDMO COCC[N@H+](CCC#N)CC[C@H]1CCC[C@@H](C)C1 ZINC000089129856 345765787 /nfs/dbraw/zinc/76/57/87/345765787.db2.gz QZTGXUNCIUWNQT-HUUCEWRRSA-N 1 1 252.402 3.065 20 30 CGEDMO COCC[N@@H+](CCC#N)CC[C@H]1CCC[C@@H](C)C1 ZINC000089129856 345765790 /nfs/dbraw/zinc/76/57/90/345765790.db2.gz QZTGXUNCIUWNQT-HUUCEWRRSA-N 1 1 252.402 3.065 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000093318751 345874595 /nfs/dbraw/zinc/87/45/95/345874595.db2.gz UMNBMCVOGNOVIZ-GFCCVEGCSA-N 1 1 286.297 3.130 20 30 CGEDMO C=C(Cl)C[N@H+](Cc1ccccc1)[C@@H](C)CCO ZINC000093304400 345874977 /nfs/dbraw/zinc/87/49/77/345874977.db2.gz LBCUSZDBMMNBTN-ZDUSSCGKSA-N 1 1 253.773 3.012 20 30 CGEDMO C=C(Cl)C[N@@H+](Cc1ccccc1)[C@@H](C)CCO ZINC000093304400 345874978 /nfs/dbraw/zinc/87/49/78/345874978.db2.gz LBCUSZDBMMNBTN-ZDUSSCGKSA-N 1 1 253.773 3.012 20 30 CGEDMO C=C(C)CN1CCC([NH2+]Cc2cccc(F)c2F)CC1 ZINC000107713140 345935443 /nfs/dbraw/zinc/93/54/43/345935443.db2.gz PXSFPUSMEFUHOL-UHFFFAOYSA-N 1 1 280.362 3.095 20 30 CGEDMO C[C@@H](c1ccccn1)[N@@H+](C)CCOc1ccccc1C#N ZINC000177152624 232357559 /nfs/dbraw/zinc/35/75/59/232357559.db2.gz GPCRJCBVABSPMM-AWEZNQCLSA-N 1 1 281.359 3.025 20 30 CGEDMO Cc1cc(C)c(NC(=O)CCC[N@@H+](C)CCC#N)c(C)c1 ZINC000153129215 346144677 /nfs/dbraw/zinc/14/46/77/346144677.db2.gz DLRHKSLKLVCUOP-UHFFFAOYSA-N 1 1 287.407 3.176 20 30 CGEDMO Cc1cc(C)c(NC(=O)CCC[N@H+](C)CCC#N)c(C)c1 ZINC000153129215 346144682 /nfs/dbraw/zinc/14/46/82/346144682.db2.gz DLRHKSLKLVCUOP-UHFFFAOYSA-N 1 1 287.407 3.176 20 30 CGEDMO N#Cc1cc(N[C@@H]2CC[N@H+](C3CC3)C2)ccc1C(F)(F)F ZINC000163976443 346181851 /nfs/dbraw/zinc/18/18/51/346181851.db2.gz BLDYVOGJCPEYSH-GFCCVEGCSA-N 1 1 295.308 3.226 20 30 CGEDMO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2C)CCS1 ZINC000165509293 346184917 /nfs/dbraw/zinc/18/49/17/346184917.db2.gz HBSHFNHBMXCDMH-OAHLLOKOSA-N 1 1 260.406 3.194 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H](CO)CC1 ZINC000293218889 346431135 /nfs/dbraw/zinc/43/11/35/346431135.db2.gz RPEOFSNUBOTJDQ-OAHLLOKOSA-N 1 1 286.419 3.082 20 30 CGEDMO Cc1ncc(C[NH2+]CC2(C#N)CCCC2)n1-c1ccccc1 ZINC000593652716 347099216 /nfs/dbraw/zinc/09/92/16/347099216.db2.gz HTWIJAVJFMDACD-UHFFFAOYSA-N 1 1 294.402 3.354 20 30 CGEDMO C=CCN(CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000338417792 346500296 /nfs/dbraw/zinc/50/02/96/346500296.db2.gz OWPCGVQFQUKWRY-NVXWUHKLSA-N 1 1 258.409 3.330 20 30 CGEDMO C=CC[N@@H+](CC)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000338417792 346500298 /nfs/dbraw/zinc/50/02/98/346500298.db2.gz OWPCGVQFQUKWRY-NVXWUHKLSA-N 1 1 258.409 3.330 20 30 CGEDMO C=CC[N@H+](CC)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000338417792 346500300 /nfs/dbraw/zinc/50/03/00/346500300.db2.gz OWPCGVQFQUKWRY-NVXWUHKLSA-N 1 1 258.409 3.330 20 30 CGEDMO N#CC1(C[NH2+]Cc2cc(-c3ccccc3)n[nH]2)CCCC1 ZINC000593652512 347099302 /nfs/dbraw/zinc/09/93/02/347099302.db2.gz AIMDIALSPBYHRZ-UHFFFAOYSA-N 1 1 280.375 3.250 20 30 CGEDMO CC(C)O[C@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000593657263 347100741 /nfs/dbraw/zinc/10/07/41/347100741.db2.gz CFVQISGMVVKSKH-AWEZNQCLSA-N 1 1 252.402 3.206 20 30 CGEDMO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1cc(C#N)cs1 ZINC000593660237 347100762 /nfs/dbraw/zinc/10/07/62/347100762.db2.gz DONQTTLMSSYWNJ-GFCCVEGCSA-N 1 1 264.394 3.009 20 30 CGEDMO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1cc(C#N)cs1 ZINC000593660237 347100765 /nfs/dbraw/zinc/10/07/65/347100765.db2.gz DONQTTLMSSYWNJ-GFCCVEGCSA-N 1 1 264.394 3.009 20 30 CGEDMO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1ccc(C#N)s1 ZINC000593660630 347101162 /nfs/dbraw/zinc/10/11/62/347101162.db2.gz KWIDLERXFBXJEZ-NSHDSACASA-N 1 1 264.394 3.009 20 30 CGEDMO CC[C@H]1COC(C)(C)C[N@H+]1Cc1ccc(C#N)s1 ZINC000593660630 347101167 /nfs/dbraw/zinc/10/11/67/347101167.db2.gz KWIDLERXFBXJEZ-NSHDSACASA-N 1 1 264.394 3.009 20 30 CGEDMO CC(C)(C)OC(=O)C[N@@H+](CC1CC1)CC(C)(C)CCC#N ZINC000593672604 347102086 /nfs/dbraw/zinc/10/20/86/347102086.db2.gz UNLWHDNVTSPZHY-UHFFFAOYSA-N 1 1 294.439 3.370 20 30 CGEDMO CCC[C@]1(CO)CC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411744019 346607192 /nfs/dbraw/zinc/60/71/92/346607192.db2.gz GKNMJJBUIPBFKL-KRWDZBQOSA-N 1 1 278.440 3.335 20 30 CGEDMO C=CCC[N@@H+]([C@@H](Cc1ccccc1)C(=O)OCC)C1CC1 ZINC000533520964 346649001 /nfs/dbraw/zinc/64/90/01/346649001.db2.gz LKJIAKWBIHHFIJ-KRWDZBQOSA-N 1 1 287.403 3.201 20 30 CGEDMO C=CCC[N@H+]([C@@H](Cc1ccccc1)C(=O)OCC)C1CC1 ZINC000533520964 346649002 /nfs/dbraw/zinc/64/90/02/346649002.db2.gz LKJIAKWBIHHFIJ-KRWDZBQOSA-N 1 1 287.403 3.201 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000556057436 346656692 /nfs/dbraw/zinc/65/66/92/346656692.db2.gz CVYIJFIHGBPBFX-UHFFFAOYSA-N 1 1 278.440 3.089 20 30 CGEDMO CC(C)c1cc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)on1 ZINC000589341693 346794116 /nfs/dbraw/zinc/79/41/16/346794116.db2.gz GRLZHKDJUMBGBX-INIZCTEOSA-N 1 1 281.359 3.447 20 30 CGEDMO Cc1nc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)cs1 ZINC000589337969 346794295 /nfs/dbraw/zinc/79/42/95/346794295.db2.gz KYDCPAROZUUWOE-OAHLLOKOSA-N 1 1 269.373 3.100 20 30 CGEDMO C[N@@H+](CCC1CCCCC1)Cc1ccc(C#N)cn1 ZINC000593953218 347122649 /nfs/dbraw/zinc/12/26/49/347122649.db2.gz SORIJRXQHBEIQE-UHFFFAOYSA-N 1 1 257.381 3.355 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(OCc2ccccc2)nc1 ZINC000594008634 347136557 /nfs/dbraw/zinc/13/65/57/347136557.db2.gz XMBGFMBKFDPBPS-KRWDZBQOSA-N 1 1 295.386 3.442 20 30 CGEDMO Cc1nc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)cs1 ZINC000594033303 347140851 /nfs/dbraw/zinc/14/08/51/347140851.db2.gz YTSMHQGDJBCKSZ-UHFFFAOYSA-N 1 1 283.400 3.492 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)nc1 ZINC000593962624 347124716 /nfs/dbraw/zinc/12/47/16/347124716.db2.gz UUSMEWOLVODSCQ-HNNXBMFYSA-N 1 1 281.334 3.082 20 30 CGEDMO CCOC1(C)C[NH+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594607662 347202425 /nfs/dbraw/zinc/20/24/25/347202425.db2.gz ZZDWZQOBBPQBDT-UHFFFAOYSA-N 1 1 272.392 3.099 20 30 CGEDMO Cc1cc(C[C@@H](C)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)n[nH]1 ZINC000594498218 347179083 /nfs/dbraw/zinc/17/90/83/347179083.db2.gz OUMRCFPPLJGBHR-CYBMUJFWSA-N 1 1 296.418 3.240 20 30 CGEDMO CCc1ncc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)o1 ZINC000594507745 347182267 /nfs/dbraw/zinc/18/22/67/347182267.db2.gz QTTWZDUQGWLJJJ-UHFFFAOYSA-N 1 1 283.375 3.328 20 30 CGEDMO CCc1[nH+]ccn1Cc1ccc(C#N)cc1C(F)(F)F ZINC000594894282 347222608 /nfs/dbraw/zinc/22/26/08/347222608.db2.gz QHLMMFXYOOUOKM-UHFFFAOYSA-N 1 1 279.265 3.384 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594917059 347228804 /nfs/dbraw/zinc/22/88/04/347228804.db2.gz GKMCOIASCFFUON-KRWDZBQOSA-N 1 1 297.446 3.062 20 30 CGEDMO CC(C)[N@@H+]1CC[C@@H](CNCc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594917059 347228806 /nfs/dbraw/zinc/22/88/06/347228806.db2.gz GKMCOIASCFFUON-KRWDZBQOSA-N 1 1 297.446 3.062 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](CNCc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594917059 347228808 /nfs/dbraw/zinc/22/88/08/347228808.db2.gz GKMCOIASCFFUON-KRWDZBQOSA-N 1 1 297.446 3.062 20 30 CGEDMO Cc1csc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)n1 ZINC000594915719 347228838 /nfs/dbraw/zinc/22/88/38/347228838.db2.gz WHCHSMVKRXBCSV-UHFFFAOYSA-N 1 1 283.400 3.297 20 30 CGEDMO Cc1nc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cs1 ZINC000594926111 347231857 /nfs/dbraw/zinc/23/18/57/347231857.db2.gz RWEJKPZZBGTHQL-UHFFFAOYSA-N 1 1 283.400 3.297 20 30 CGEDMO Cc1nc(C[NH2+]C(C)(C)c2cccc(C#N)c2)cs1 ZINC000594970122 347245541 /nfs/dbraw/zinc/24/55/41/347245541.db2.gz YXCYBSWFAQXZBQ-UHFFFAOYSA-N 1 1 271.389 3.348 20 30 CGEDMO CC(C)Cn1nccc1C[NH2+]CC1(C#N)CCCCC1 ZINC000594980782 347247780 /nfs/dbraw/zinc/24/77/80/347247780.db2.gz AEOPKWSTUXJTTB-UHFFFAOYSA-N 1 1 274.412 3.103 20 30 CGEDMO C[N@@H+](CCc1ccc(C#N)cc1)Cc1cccs1 ZINC000595292740 347287758 /nfs/dbraw/zinc/28/77/58/347287758.db2.gz VDYWCTKITOFNJE-UHFFFAOYSA-N 1 1 256.374 3.294 20 30 CGEDMO C=CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])CC1CCCCC1 ZINC000595313849 347290926 /nfs/dbraw/zinc/29/09/26/347290926.db2.gz UVKWSVIAINDLSI-UHFFFAOYSA-N 1 1 293.367 3.460 20 30 CGEDMO C=CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])CC1CCCCC1 ZINC000595313849 347290927 /nfs/dbraw/zinc/29/09/27/347290927.db2.gz UVKWSVIAINDLSI-UHFFFAOYSA-N 1 1 293.367 3.460 20 30 CGEDMO CC[N@@H+](CCc1ccc(C#N)cc1)Cc1ccccn1 ZINC000595340400 347294099 /nfs/dbraw/zinc/29/40/99/347294099.db2.gz WDFHIPMWMUGIQP-UHFFFAOYSA-N 1 1 265.360 3.018 20 30 CGEDMO Cn1cc(Cl)cc1C[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595338827 347294179 /nfs/dbraw/zinc/29/41/79/347294179.db2.gz JYOSKRDIBHTGPI-UHFFFAOYSA-N 1 1 287.794 3.225 20 30 CGEDMO COCC[N@@H+](CCc1ccc(C#N)cc1)Cc1ccc(C)o1 ZINC000595345945 347295090 /nfs/dbraw/zinc/29/50/90/347295090.db2.gz RYZBUAYXYRGKKD-UHFFFAOYSA-N 1 1 298.386 3.151 20 30 CGEDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595352849 347296038 /nfs/dbraw/zinc/29/60/38/347296038.db2.gz POWIKZWNSRRPES-HNNXBMFYSA-N 1 1 294.398 3.369 20 30 CGEDMO N#Cc1ccc(CC[N@@H+](Cc2ccncc2)C2CC2)cc1 ZINC000595399393 347298679 /nfs/dbraw/zinc/29/86/79/347298679.db2.gz VZKITJVWIYERGI-UHFFFAOYSA-N 1 1 277.371 3.160 20 30 CGEDMO CCn1cc([C@@H](C)[NH2+]CC2(C#N)CCCCC2)cn1 ZINC000595092083 347281012 /nfs/dbraw/zinc/28/10/12/347281012.db2.gz WETCBZIRMIZRME-CYBMUJFWSA-N 1 1 260.385 3.028 20 30 CGEDMO CC[C@@H](C)[N@@H+](CC)CCC(=O)Nc1sccc1C#N ZINC000595592580 347322939 /nfs/dbraw/zinc/32/29/39/347322939.db2.gz GDXSWWUTBVBSEG-LLVKDONJSA-N 1 1 279.409 3.069 20 30 CGEDMO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595610748 347326392 /nfs/dbraw/zinc/32/63/92/347326392.db2.gz BGHICJDJRWNUAQ-HZPDHXFCSA-N 1 1 299.418 3.256 20 30 CGEDMO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595610748 347326395 /nfs/dbraw/zinc/32/63/95/347326395.db2.gz BGHICJDJRWNUAQ-HZPDHXFCSA-N 1 1 299.418 3.256 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](CCc2ccc(F)c(F)c2)C1 ZINC000595614897 347327269 /nfs/dbraw/zinc/32/72/69/347327269.db2.gz JHACQRDVIBDMEN-CYBMUJFWSA-N 1 1 264.319 3.133 20 30 CGEDMO COc1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)c(Cl)c1 ZINC000595620772 347328827 /nfs/dbraw/zinc/32/88/27/347328827.db2.gz QIIOGCHFSTZSDH-GFCCVEGCSA-N 1 1 278.783 3.474 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)c(Cl)c1 ZINC000595620772 347328830 /nfs/dbraw/zinc/32/88/30/347328830.db2.gz QIIOGCHFSTZSDH-GFCCVEGCSA-N 1 1 278.783 3.474 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000595657613 347334118 /nfs/dbraw/zinc/33/41/18/347334118.db2.gz CXYYYFNQHCDUFC-ZDUSSCGKSA-N 1 1 285.347 3.255 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000595657613 347334120 /nfs/dbraw/zinc/33/41/20/347334120.db2.gz CXYYYFNQHCDUFC-ZDUSSCGKSA-N 1 1 285.347 3.255 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000595659030 347334681 /nfs/dbraw/zinc/33/46/81/347334681.db2.gz MAGBQOOMDGEFAI-MRXNPFEDSA-N 1 1 276.424 3.375 20 30 CGEDMO C[C@H]1CCC[N@@H+](CCCCC(C)(C)C#N)[C@@H]1CCO ZINC000595703556 347343484 /nfs/dbraw/zinc/34/34/84/347343484.db2.gz UFGXJVZBHKUPPB-LSDHHAIUSA-N 1 1 266.429 3.189 20 30 CGEDMO COC(=O)[C@@]1([NH2+]CCCC(C)(C)C#N)CC[C@@H](C)CC1 ZINC000595707751 347343566 /nfs/dbraw/zinc/34/35/66/347343566.db2.gz DBXIRWQJRHZSGY-SAZUREKKSA-N 1 1 280.412 3.028 20 30 CGEDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595493957 347311733 /nfs/dbraw/zinc/31/17/33/347311733.db2.gz XPKVOHAHAXWVSY-QAPCUYQASA-N 1 1 286.419 3.116 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000595808240 347357509 /nfs/dbraw/zinc/35/75/09/347357509.db2.gz NBPSREZCKJTXHE-ZFWWWQNUSA-N 1 1 254.377 3.330 20 30 CGEDMO N#CC1(CC[N@@H+](C2CC2)C2(CO)CCC2)CCCCC1 ZINC000595533146 347316185 /nfs/dbraw/zinc/31/61/85/347316185.db2.gz HRGQXDRKRACQME-UHFFFAOYSA-N 1 1 276.424 3.230 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@H]1COc1cccc(C#N)c1 ZINC000596240950 347402909 /nfs/dbraw/zinc/40/29/09/347402909.db2.gz ITBHQPDWKMDHJT-HNNXBMFYSA-N 1 1 258.365 3.200 20 30 CGEDMO CN(c1ccccc1)[C@@H]1CC[N@@H+](CCC(C)(C)C#N)C1 ZINC000595827980 347361573 /nfs/dbraw/zinc/36/15/73/347361573.db2.gz SJTAKONKWZIDQB-MRXNPFEDSA-N 1 1 271.408 3.137 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)c1 ZINC000595830540 347362040 /nfs/dbraw/zinc/36/20/40/347362040.db2.gz DRXMLDTXDGAVEE-GOSISDBHSA-N 1 1 278.355 3.212 20 30 CGEDMO CCC(CC)CCC[N@@H+](C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000595831308 347362882 /nfs/dbraw/zinc/36/28/82/347362882.db2.gz NSGCELSSOKRSPI-AWEZNQCLSA-N 1 1 293.455 3.086 20 30 CGEDMO COc1ccc([C@@H](C)C[N@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000595840374 347365147 /nfs/dbraw/zinc/36/51/47/347365147.db2.gz AJUQKORMSFRNCR-BBRMVZONSA-N 1 1 258.365 3.034 20 30 CGEDMO C[C@@H](c1ccc2c(c1)CCC2)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595841352 347365193 /nfs/dbraw/zinc/36/51/93/347365193.db2.gz KOKNPQOSMYRKHW-SUMWQHHRSA-N 1 1 254.377 3.472 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccc(C#N)cc1 ZINC000595844595 347367054 /nfs/dbraw/zinc/36/70/54/347367054.db2.gz HAMNURVKMRJMQZ-CALCHBBNSA-N 1 1 252.361 3.284 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC(=O)OC(C)(C)C ZINC000595844924 347367550 /nfs/dbraw/zinc/36/75/50/347367550.db2.gz IASIERGBXVBJTJ-OKILXGFUSA-N 1 1 265.397 3.291 20 30 CGEDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1(C#N)CCOCC1 ZINC000595858227 347368186 /nfs/dbraw/zinc/36/81/86/347368186.db2.gz UIGDTWRKAJZCFQ-MQVJKMGUSA-N 1 1 276.424 3.350 20 30 CGEDMO C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C[C@H]1CC1(C)C ZINC000595912096 347371775 /nfs/dbraw/zinc/37/17/75/347371775.db2.gz IQLCYAHWDHADCV-CQSZACIVSA-N 1 1 296.374 3.086 20 30 CGEDMO CC1(C)C[N@@H+](CCCSCC#N)[C@H]1c1ccncc1 ZINC000596591247 347484505 /nfs/dbraw/zinc/48/45/05/347484505.db2.gz IXPXLHVDJZNLOY-AWEZNQCLSA-N 1 1 275.421 3.111 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCCc3n[nH]cc3C2)cc1 ZINC000596594681 347485163 /nfs/dbraw/zinc/48/51/63/347485163.db2.gz VUYCDFGKWWDNKV-UHFFFAOYSA-N 1 1 294.402 3.159 20 30 CGEDMO Cc1cc(C[N@H+]2Cc3c[nH]nc3CC(C)(C)C2)ccc1C#N ZINC000596597151 347485618 /nfs/dbraw/zinc/48/56/18/347485618.db2.gz JXIDXYRAJIFSDT-UHFFFAOYSA-N 1 1 294.402 3.174 20 30 CGEDMO C=CCCSCCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000596649744 347498640 /nfs/dbraw/zinc/49/86/40/347498640.db2.gz GNHNKLJXSHJQHC-HUUCEWRRSA-N 1 1 262.422 3.030 20 30 CGEDMO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000596977936 347523896 /nfs/dbraw/zinc/52/38/96/347523896.db2.gz QMSKVRPODQXBHT-RHSMWYFYSA-N 1 1 284.403 3.241 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000596977137 347523947 /nfs/dbraw/zinc/52/39/47/347523947.db2.gz GQOIMXKMBLINPI-AWEZNQCLSA-N 1 1 254.377 3.474 20 30 CGEDMO CC[N@H+](Cc1ccc(C2(C#N)CC2)cc1)CC1CC1 ZINC000597010340 347527548 /nfs/dbraw/zinc/52/75/48/347527548.db2.gz MWNFWKONVJUZAR-UHFFFAOYSA-N 1 1 254.377 3.474 20 30 CGEDMO CC[C@@]1(CO)CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597093118 347535424 /nfs/dbraw/zinc/53/54/24/347535424.db2.gz WCXOEDUASJBRJC-GOSISDBHSA-N 1 1 298.430 3.226 20 30 CGEDMO Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000597173649 347543203 /nfs/dbraw/zinc/54/32/03/347543203.db2.gz LNMUXQXEAVJXGP-INIZCTEOSA-N 1 1 294.402 3.306 20 30 CGEDMO COc1ccccc1/C=C/C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000597173647 347543492 /nfs/dbraw/zinc/54/34/92/347543492.db2.gz LMQTXWHNFFCRHU-PXTSUWAFSA-N 1 1 270.376 3.334 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000597172735 347543514 /nfs/dbraw/zinc/54/35/14/347543514.db2.gz DQNARINLHRDSIZ-HNNXBMFYSA-N 1 1 270.376 3.377 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](Cc2cc3ccncc3s2)C1 ZINC000597229474 347557826 /nfs/dbraw/zinc/55/78/26/347557826.db2.gz ATLATCOXULHQTR-CQSZACIVSA-N 1 1 257.362 3.032 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](Cc2cc3ccncc3s2)C1 ZINC000597229474 347557830 /nfs/dbraw/zinc/55/78/30/347557830.db2.gz ATLATCOXULHQTR-CQSZACIVSA-N 1 1 257.362 3.032 20 30 CGEDMO COc1ccc(C[C@H](C)C[N@H+]2CC[C@@](C)(C#N)C2)cc1F ZINC000597231401 347559058 /nfs/dbraw/zinc/55/90/58/347559058.db2.gz NIUUAZXFGUYHFB-GUYCJALGSA-N 1 1 290.382 3.248 20 30 CGEDMO Cc1oc2ccccc2c1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597231893 347559859 /nfs/dbraw/zinc/55/98/59/347559859.db2.gz PRFGSXOKZPSSRR-INIZCTEOSA-N 1 1 254.333 3.477 20 30 CGEDMO Cc1oc2ccccc2c1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597231893 347559864 /nfs/dbraw/zinc/55/98/64/347559864.db2.gz PRFGSXOKZPSSRR-INIZCTEOSA-N 1 1 254.333 3.477 20 30 CGEDMO N#CCC1C[NH+](Cc2ccccc2OCc2ccccn2)C1 ZINC000597193190 347547625 /nfs/dbraw/zinc/54/76/25/347547625.db2.gz DZTZTGMBZIJHRB-UHFFFAOYSA-N 1 1 293.370 3.006 20 30 CGEDMO C[C@@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(C#N)cc1 ZINC000598955161 347701053 /nfs/dbraw/zinc/70/10/53/347701053.db2.gz GVBIGBNWQCYOKU-CJNGLKHVSA-N 1 1 271.408 3.082 20 30 CGEDMO C[C@@H]([NH2+][C@H]1CCN(C)C(C)(C)C1)c1ccc(C#N)cc1 ZINC000598955161 347701063 /nfs/dbraw/zinc/70/10/63/347701063.db2.gz GVBIGBNWQCYOKU-CJNGLKHVSA-N 1 1 271.408 3.082 20 30 CGEDMO C[C@@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc(C#N)c1 ZINC000598966450 347701712 /nfs/dbraw/zinc/70/17/12/347701712.db2.gz XLXPOSGMBHVZGW-CJNGLKHVSA-N 1 1 271.408 3.082 20 30 CGEDMO C[C@@H]([NH2+][C@H]1CCN(C)C(C)(C)C1)c1cccc(C#N)c1 ZINC000598966450 347701718 /nfs/dbraw/zinc/70/17/18/347701718.db2.gz XLXPOSGMBHVZGW-CJNGLKHVSA-N 1 1 271.408 3.082 20 30 CGEDMO C[C@@H]1C[C@H](C(C)(C)C)CC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598618443 347671429 /nfs/dbraw/zinc/67/14/29/347671429.db2.gz YGLYPPYELWZKEN-RBSFLKMASA-N 1 1 280.456 3.434 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@H]1CC1CCCC1 ZINC000598621731 347672439 /nfs/dbraw/zinc/67/24/39/347672439.db2.gz CKNGVIOUHRJACF-HOTGVXAUSA-N 1 1 278.440 3.332 20 30 CGEDMO CCC1(CC)CCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598628111 347673156 /nfs/dbraw/zinc/67/31/56/347673156.db2.gz MBIJMODYWFSNLN-AWEZNQCLSA-N 1 1 266.429 3.189 20 30 CGEDMO COc1ccc(C[N@H+]2CCCC3(CC3)CC2)cc1C#N ZINC000599673784 347764118 /nfs/dbraw/zinc/76/41/18/347764118.db2.gz YWEZRICRJWZSBZ-UHFFFAOYSA-N 1 1 270.376 3.333 20 30 CGEDMO C[C@]12CCCC[C@H]1C[N@H+]2CCOc1ccccc1C#N ZINC000599675120 347764168 /nfs/dbraw/zinc/76/41/68/347764168.db2.gz OARHGKXCJBSCBQ-RDJZCZTQSA-N 1 1 270.376 3.202 20 30 CGEDMO N#CCc1cccc2c1CC[N@H+](CCc1ccccc1F)C2 ZINC000599677976 347764761 /nfs/dbraw/zinc/76/47/61/347764761.db2.gz NTKSGNLVAZOCCI-UHFFFAOYSA-N 1 1 294.373 3.493 20 30 CGEDMO Cc1nc(C)c(C[N@H+]2CCc3c(CC#N)cccc3C2)s1 ZINC000599678218 347765365 /nfs/dbraw/zinc/76/53/65/347765365.db2.gz GVDAEPZGMZNJRK-UHFFFAOYSA-N 1 1 297.427 3.384 20 30 CGEDMO COc1ccc([C@@H]2CC[N@H+]([C@@H]3CC[C@H](C#N)C3)C2)cc1F ZINC000599681209 347766279 /nfs/dbraw/zinc/76/62/79/347766279.db2.gz XALGEPQKVWFJKN-NWANDNLSSA-N 1 1 288.366 3.316 20 30 CGEDMO Cc1nc(NC[C@@H]2CCCC[N@H+](C)C2)c(Cl)cc1C#N ZINC000599142349 347720594 /nfs/dbraw/zinc/72/05/94/347720594.db2.gz VTVRVBJULVHECK-LBPRGKRZSA-N 1 1 292.814 3.059 20 30 CGEDMO CCC[N@@H+](Cc1cnc(C)o1)Cc1ccc(C#N)cc1 ZINC000600107588 347779661 /nfs/dbraw/zinc/77/96/61/347779661.db2.gz PRPJAXRXBOKXEW-UHFFFAOYSA-N 1 1 269.348 3.267 20 30 CGEDMO Cc1ccc(C[N@H+]2CCc3ccc(O)cc3CC2)cc1C#N ZINC000599323963 347735262 /nfs/dbraw/zinc/73/52/62/347735262.db2.gz NKJJUWMRGGKEHB-UHFFFAOYSA-N 1 1 292.382 3.173 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)cc1C#N ZINC000599357928 347738990 /nfs/dbraw/zinc/73/89/90/347738990.db2.gz YSLYJUCZCFOSIR-SFHVURJKSA-N 1 1 291.398 3.326 20 30 CGEDMO Cc1ccc(C[NH2+][C@H](C)c2c(F)cncc2F)cc1C#N ZINC000599416331 347743324 /nfs/dbraw/zinc/74/33/24/347743324.db2.gz IBPNKDYLIQWSHO-LLVKDONJSA-N 1 1 287.313 3.391 20 30 CGEDMO Cc1ccc(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)cc1C#N ZINC000599475804 347747790 /nfs/dbraw/zinc/74/77/90/347747790.db2.gz WZUHDQGJPAFQEY-UHFFFAOYSA-N 1 1 296.414 3.258 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000599530519 347751260 /nfs/dbraw/zinc/75/12/60/347751260.db2.gz ZJVGREVFNKUIOC-LBPRGKRZSA-N 1 1 276.336 3.001 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599582513 347756129 /nfs/dbraw/zinc/75/61/29/347756129.db2.gz MSVLDLAJXNWLAU-UONOGXRCSA-N 1 1 267.413 3.252 20 30 CGEDMO Cc1occc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000600213350 347793791 /nfs/dbraw/zinc/79/37/91/347793791.db2.gz USVFVLVLHJGYBR-UHFFFAOYSA-N 1 1 266.344 3.212 20 30 CGEDMO C/C=C\C[C@@H]1CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000600212821 347793820 /nfs/dbraw/zinc/79/38/20/347793820.db2.gz ICFGXVXTVGKJJX-MPNWYJEXSA-N 1 1 294.402 3.384 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCCNCc1cccc(F)c1C#N ZINC000601997859 347931632 /nfs/dbraw/zinc/93/16/32/347931632.db2.gz NHKXEYGFWWOGAD-AWEZNQCLSA-N 1 1 289.398 3.051 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]2Cc2ccccc2)n1 ZINC000602435270 347957128 /nfs/dbraw/zinc/95/71/28/347957128.db2.gz KGYRTVREEPJRCA-GOSISDBHSA-N 1 1 277.371 3.160 20 30 CGEDMO CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H](C)CCC#N ZINC000602432256 347957311 /nfs/dbraw/zinc/95/73/11/347957311.db2.gz GICXVERQQPHFPG-CYBMUJFWSA-N 1 1 298.390 3.097 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)n1)[C@H]1CCCc2ccccc21 ZINC000602436620 347957360 /nfs/dbraw/zinc/95/73/60/347957360.db2.gz XWFBWMSVTNQMAL-SFHVURJKSA-N 1 1 277.371 3.463 20 30 CGEDMO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1cccc(C#N)n1 ZINC000602435255 347957372 /nfs/dbraw/zinc/95/73/72/347957372.db2.gz JYGSTUPETFAIHR-NSHDSACASA-N 1 1 287.313 3.424 20 30 CGEDMO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602435255 347957373 /nfs/dbraw/zinc/95/73/73/347957373.db2.gz JYGSTUPETFAIHR-NSHDSACASA-N 1 1 287.313 3.424 20 30 CGEDMO C[C@@H](C#N)C[N@H+](C)Cc1ccc(CC(F)(F)F)cc1 ZINC000602447291 347960255 /nfs/dbraw/zinc/96/02/55/347960255.db2.gz MJNRZXOBUZCOAT-NSHDSACASA-N 1 1 270.298 3.383 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(CC(F)(F)F)cc1 ZINC000602447291 347960256 /nfs/dbraw/zinc/96/02/56/347960256.db2.gz MJNRZXOBUZCOAT-NSHDSACASA-N 1 1 270.298 3.383 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000602453951 347961497 /nfs/dbraw/zinc/96/14/97/347961497.db2.gz LKQQVJZTFCTJJO-CZUORRHYSA-N 1 1 258.365 3.469 20 30 CGEDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cccc(C#N)n1 ZINC000602473710 347963844 /nfs/dbraw/zinc/96/38/44/347963844.db2.gz ORIKFKGEYHZPKH-WWGRRREGSA-N 1 1 255.365 3.106 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000602475620 347965162 /nfs/dbraw/zinc/96/51/62/347965162.db2.gz LOZFTPCZWFHJDW-MAUKXSAKSA-N 1 1 284.403 3.100 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000602477532 347965210 /nfs/dbraw/zinc/96/52/10/347965210.db2.gz RRIUZAIQBPBLHI-WMZOPIPTSA-N 1 1 285.435 3.133 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2cccc(C#N)n2)[C@@H]1c1ccccc1 ZINC000602486582 347967924 /nfs/dbraw/zinc/96/79/24/347967924.db2.gz VBOFZYLBGUJNAB-DYVFJYSZSA-N 1 1 263.344 3.146 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)n2)[C@@H]1c1ccccc1 ZINC000602486582 347967927 /nfs/dbraw/zinc/96/79/27/347967927.db2.gz VBOFZYLBGUJNAB-DYVFJYSZSA-N 1 1 263.344 3.146 20 30 CGEDMO N#Cc1cccc(C[NH2+][C@@H]2CCSc3ccc(F)cc32)n1 ZINC000602501519 347970706 /nfs/dbraw/zinc/97/07/06/347970706.db2.gz HVKBQDCLOYVXMJ-OAHLLOKOSA-N 1 1 299.374 3.419 20 30 CGEDMO C[C@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602619538 347995368 /nfs/dbraw/zinc/99/53/68/347995368.db2.gz HYBXKOWXAAEVCY-GWCFXTLKSA-N 1 1 283.297 3.116 20 30 CGEDMO C[C@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602619538 347995371 /nfs/dbraw/zinc/99/53/71/347995371.db2.gz HYBXKOWXAAEVCY-GWCFXTLKSA-N 1 1 283.297 3.116 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC2(CC#N)CC2)C1 ZINC000602783998 348028226 /nfs/dbraw/zinc/02/82/26/348028226.db2.gz GHQUKZMUEFVBMP-IAGOWNOFSA-N 1 1 289.467 3.267 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)n1)CC1(c2ccccc2)CC1 ZINC000602626258 347996035 /nfs/dbraw/zinc/99/60/35/347996035.db2.gz MSYLDNTUEORDOA-UHFFFAOYSA-N 1 1 277.371 3.117 20 30 CGEDMO CCC[C@]1(C(=O)OCC)CCC[N@H+]1C[C@@H](C)CCC#N ZINC000602637168 347998472 /nfs/dbraw/zinc/99/84/72/347998472.db2.gz LPRMOZPMTIXPIP-GOEBONIOSA-N 1 1 280.412 3.124 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000602659222 348002773 /nfs/dbraw/zinc/00/27/73/348002773.db2.gz PVZQYRMDFINYGT-GOEBONIOSA-N 1 1 260.356 3.497 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000602659774 348003554 /nfs/dbraw/zinc/00/35/54/348003554.db2.gz WYNRMTKOENREGO-ZDUSSCGKSA-N 1 1 275.352 3.009 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000602665330 348004235 /nfs/dbraw/zinc/00/42/35/348004235.db2.gz HESDGQFYZVHLQI-PMPSAXMXSA-N 1 1 264.413 3.065 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000602669582 348004887 /nfs/dbraw/zinc/00/48/87/348004887.db2.gz KGWOFJMGKDVAEI-HIFRSBDPSA-N 1 1 257.381 3.404 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)[C@@H](c1nccn1C)C1CC1 ZINC000602694268 348010523 /nfs/dbraw/zinc/01/05/23/348010523.db2.gz YPLUWIKZOWLVOV-SUMWQHHRSA-N 1 1 294.402 3.436 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)[C@@H](c1nccn1C)C1CC1 ZINC000602694268 348010525 /nfs/dbraw/zinc/01/05/25/348010525.db2.gz YPLUWIKZOWLVOV-SUMWQHHRSA-N 1 1 294.402 3.436 20 30 CGEDMO N#Cc1c(F)cccc1C[N@@H+]1CC[C@H](c2ccc(O)cc2)C1 ZINC000602729990 348020397 /nfs/dbraw/zinc/02/03/97/348020397.db2.gz MATZWSWAOPTXBP-AWEZNQCLSA-N 1 1 296.345 3.392 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCO[C@H]1C ZINC000602763602 348025388 /nfs/dbraw/zinc/02/53/88/348025388.db2.gz QQWWODXTHJJBGU-YOEHRIQHSA-N 1 1 272.392 3.195 20 30 CGEDMO C[C@@H]1c2c(F)cccc2CC[N@H+]1CC1(CC#N)CC1 ZINC000602776667 348027066 /nfs/dbraw/zinc/02/70/66/348027066.db2.gz CSPMTMRJTXOGCT-GFCCVEGCSA-N 1 1 258.340 3.439 20 30 CGEDMO C[C@@H]1c2c(F)cccc2CC[N@@H+]1CC1(CC#N)CC1 ZINC000602776667 348027069 /nfs/dbraw/zinc/02/70/69/348027069.db2.gz CSPMTMRJTXOGCT-GFCCVEGCSA-N 1 1 258.340 3.439 20 30 CGEDMO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC1(CC#N)CC1 ZINC000602780268 348027353 /nfs/dbraw/zinc/02/73/53/348027353.db2.gz GBCGCNZQEYLQSJ-XCLFUZPHSA-N 1 1 290.432 3.111 20 30 CGEDMO COc1ncc(C[N@H+](C)CC(C)(C)C#N)c2ccccc21 ZINC000602831446 348034847 /nfs/dbraw/zinc/03/48/47/348034847.db2.gz HZSCFMQULNLSGN-UHFFFAOYSA-N 1 1 283.375 3.225 20 30 CGEDMO COc1ncc(C[N@@H+](C)CC(C)(C)C#N)c2ccccc21 ZINC000602831446 348034848 /nfs/dbraw/zinc/03/48/48/348034848.db2.gz HZSCFMQULNLSGN-UHFFFAOYSA-N 1 1 283.375 3.225 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3cccnc3)C2)cc1 ZINC000602855915 348037067 /nfs/dbraw/zinc/03/70/67/348037067.db2.gz QJNBZRINENKGIS-SFHVURJKSA-N 1 1 277.371 3.333 20 30 CGEDMO CN1CC[N@@H+](CCCCC(C)(C)C#N)C[C@H]1C(C)(C)C ZINC000602872290 348039284 /nfs/dbraw/zinc/03/92/84/348039284.db2.gz BTPUQRTUBVNPSS-HNNXBMFYSA-N 1 1 279.472 3.369 20 30 CGEDMO C[N@@H+]1CCN(CCCCC(C)(C)C#N)C[C@H]1C(C)(C)C ZINC000602872290 348039285 /nfs/dbraw/zinc/03/92/85/348039285.db2.gz BTPUQRTUBVNPSS-HNNXBMFYSA-N 1 1 279.472 3.369 20 30 CGEDMO C[N@H+]1CCN(CCCCC(C)(C)C#N)C[C@H]1C(C)(C)C ZINC000602872290 348039288 /nfs/dbraw/zinc/03/92/88/348039288.db2.gz BTPUQRTUBVNPSS-HNNXBMFYSA-N 1 1 279.472 3.369 20 30 CGEDMO N#CC1(CC[N@@H+]2CCC[C@H]2c2ncccn2)CCCCC1 ZINC000602901533 348041836 /nfs/dbraw/zinc/04/18/36/348041836.db2.gz ZMIUMHZZUBLFCZ-HNNXBMFYSA-N 1 1 284.407 3.478 20 30 CGEDMO N#CC1(CC[N@H+]2CCC[C@H]2c2ncccn2)CCCCC1 ZINC000602901533 348041837 /nfs/dbraw/zinc/04/18/37/348041837.db2.gz ZMIUMHZZUBLFCZ-HNNXBMFYSA-N 1 1 284.407 3.478 20 30 CGEDMO C[C@H]1CN(C)c2ccccc2C[N@H+]1CC1(CC#N)CC1 ZINC000602913589 348043312 /nfs/dbraw/zinc/04/33/12/348043312.db2.gz PAWDSZRUCBCDJB-AWEZNQCLSA-N 1 1 269.392 3.021 20 30 CGEDMO C[N@@H+](CC1CCC(F)(F)CC1)[C@@H]1CCC[C@H]1C#N ZINC000602981291 348051234 /nfs/dbraw/zinc/05/12/34/348051234.db2.gz AXKITHUWDGVQTC-QWHCGFSZSA-N 1 1 256.340 3.436 20 30 CGEDMO COc1cccc(SCC[N@H+](C)[C@H]2CCC[C@H]2C#N)c1 ZINC000602982485 348052092 /nfs/dbraw/zinc/05/20/92/348052092.db2.gz TWDCMBYSMBSNMG-BBRMVZONSA-N 1 1 290.432 3.411 20 30 CGEDMO COc1cccc(SCC[N@@H+](C)[C@H]2CCC[C@H]2C#N)c1 ZINC000602982485 348052094 /nfs/dbraw/zinc/05/20/94/348052094.db2.gz TWDCMBYSMBSNMG-BBRMVZONSA-N 1 1 290.432 3.411 20 30 CGEDMO C=CCCC[N@H+](C)Cc1nc(-c2ccccc2C)no1 ZINC000605737437 348167578 /nfs/dbraw/zinc/16/75/78/348167578.db2.gz BDEHBPAXOSFWLU-UHFFFAOYSA-N 1 1 271.364 3.443 20 30 CGEDMO C=CCCC[N@H+](C)CCOc1ccc(OCC)cc1 ZINC000605738777 348167594 /nfs/dbraw/zinc/16/75/94/348167594.db2.gz TYJHHGXJDVJJHK-UHFFFAOYSA-N 1 1 263.381 3.362 20 30 CGEDMO C[C@@H](CNc1ncc(C#N)cc1Cl)[N@H+]1CCC[C@H](C)C1 ZINC000608885918 348333449 /nfs/dbraw/zinc/33/34/49/348333449.db2.gz GUEWHRMLKQCWLF-RYUDHWBXSA-N 1 1 292.814 3.139 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H]2c2ccsc2)ccn1 ZINC000610991985 348415296 /nfs/dbraw/zinc/41/52/96/348415296.db2.gz OIMFAPLQFNCOJA-OAHLLOKOSA-N 1 1 269.373 3.352 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]2c2ccsc2)ccn1 ZINC000610991985 348415298 /nfs/dbraw/zinc/41/52/98/348415298.db2.gz OIMFAPLQFNCOJA-OAHLLOKOSA-N 1 1 269.373 3.352 20 30 CGEDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1ccnc(C#N)c1 ZINC000610993442 348416035 /nfs/dbraw/zinc/41/60/35/348416035.db2.gz SOFMUTBGJUSVAE-RHSMWYFYSA-N 1 1 277.371 3.331 20 30 CGEDMO CC[N@H+](CCC(F)(F)F)Cc1ccc(C#N)s1 ZINC000611266898 348433158 /nfs/dbraw/zinc/43/31/58/348433158.db2.gz WPFJFFGLVDSXTE-UHFFFAOYSA-N 1 1 262.300 3.394 20 30 CGEDMO CC[N@@H+](CCC(F)(F)F)Cc1ccc(C#N)s1 ZINC000611266898 348433162 /nfs/dbraw/zinc/43/31/62/348433162.db2.gz WPFJFFGLVDSXTE-UHFFFAOYSA-N 1 1 262.300 3.394 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@H](C)[C@H]2C)c1C#N ZINC000611347878 348440350 /nfs/dbraw/zinc/44/03/50/348440350.db2.gz LRJMGZBTYUKBHB-UKRRQHHQSA-N 1 1 294.402 3.283 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@H](C)[C@H]2C)c1C#N ZINC000611347878 348440352 /nfs/dbraw/zinc/44/03/52/348440352.db2.gz LRJMGZBTYUKBHB-UKRRQHHQSA-N 1 1 294.402 3.283 20 30 CGEDMO C[C@H]([NH2+]Cc1cn2cccc(F)c2n1)c1cccc(C#N)c1 ZINC000611119241 348423757 /nfs/dbraw/zinc/42/37/57/348423757.db2.gz XXSAOHYQFAZRCZ-LBPRGKRZSA-N 1 1 294.333 3.196 20 30 CGEDMO N#Cc1csc(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)c1 ZINC000611983767 348484813 /nfs/dbraw/zinc/48/48/13/348484813.db2.gz JELNHCNUZFNENI-AWEZNQCLSA-N 1 1 283.400 3.079 20 30 CGEDMO CCC[N@@H+]1CC[C@H](CN[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391534 348444359 /nfs/dbraw/zinc/44/43/59/348444359.db2.gz MZYBNJJLHSKAQM-VQIMIIECSA-N 1 1 297.446 3.257 20 30 CGEDMO CCC[N@H+]1CC[C@H](CN[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391534 348444362 /nfs/dbraw/zinc/44/43/62/348444362.db2.gz MZYBNJJLHSKAQM-VQIMIIECSA-N 1 1 297.446 3.257 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000611390594 348444533 /nfs/dbraw/zinc/44/45/33/348444533.db2.gz KBPPQOGYFXDXMA-FHWLQOOXSA-N 1 1 295.430 3.152 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000611390594 348444536 /nfs/dbraw/zinc/44/45/36/348444536.db2.gz KBPPQOGYFXDXMA-FHWLQOOXSA-N 1 1 295.430 3.152 20 30 CGEDMO C=CCc1cc(C[N@H+]2CCCSCC2)cc(OC)c1O ZINC000273386268 192135368 /nfs/dbraw/zinc/13/53/68/192135368.db2.gz IUFCOIGJNIBNQS-UHFFFAOYSA-N 1 1 293.432 3.068 20 30 CGEDMO C[C@H](CC#N)[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000612584739 348530599 /nfs/dbraw/zinc/53/05/99/348530599.db2.gz YEJLIINTRHQVNV-SNVBAGLBSA-N 1 1 259.740 3.280 20 30 CGEDMO C[C@H]1C[C@H](Nc2nc(C(C)(C)C)ccc2C#N)C[N@H+]1C1CC1 ZINC000613427163 348601061 /nfs/dbraw/zinc/60/10/61/348601061.db2.gz SCKSCDKGNYMDTF-JSGCOSHPSA-N 1 1 298.434 3.288 20 30 CGEDMO CC[N@H+]1CCN(Cc2ccc(C(C)(C)C#N)cc2)C[C@@H]1C ZINC000614177770 348655335 /nfs/dbraw/zinc/65/53/35/348655335.db2.gz YOTZIKYLIMHDIV-HNNXBMFYSA-N 1 1 285.435 3.014 20 30 CGEDMO CCN1CC[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@@H]1C ZINC000614177770 348655337 /nfs/dbraw/zinc/65/53/37/348655337.db2.gz YOTZIKYLIMHDIV-HNNXBMFYSA-N 1 1 285.435 3.014 20 30 CGEDMO CCN1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@@H]1C ZINC000614177770 348655342 /nfs/dbraw/zinc/65/53/42/348655342.db2.gz YOTZIKYLIMHDIV-HNNXBMFYSA-N 1 1 285.435 3.014 20 30 CGEDMO N#CCCC[N@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000614235833 348661281 /nfs/dbraw/zinc/66/12/81/348661281.db2.gz JNCMFILCHSIWHC-HNNXBMFYSA-N 1 1 282.391 3.052 20 30 CGEDMO COCC[N@H+](CCC#N)C[C@H](C)c1cccc(Cl)c1 ZINC000615113792 348715261 /nfs/dbraw/zinc/71/52/61/348715261.db2.gz AQZLMXNUCRYLTG-ZDUSSCGKSA-N 1 1 280.799 3.306 20 30 CGEDMO COCC[N@@H+](CCC#N)C[C@H](C)c1cccc(Cl)c1 ZINC000615113792 348715264 /nfs/dbraw/zinc/71/52/64/348715264.db2.gz AQZLMXNUCRYLTG-ZDUSSCGKSA-N 1 1 280.799 3.306 20 30 CGEDMO CO[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CC[C@@H]1C ZINC000615236136 348725791 /nfs/dbraw/zinc/72/57/91/348725791.db2.gz ZYKKNKDTFDUVMX-WMLDXEAASA-N 1 1 286.419 3.345 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(N(C)C)nc1 ZINC000614963332 348703826 /nfs/dbraw/zinc/70/38/26/348703826.db2.gz AFJCUAIRNUHUGB-AWEZNQCLSA-N 1 1 294.402 3.212 20 30 CGEDMO CO[C@H]1CCC[N@H+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000615446136 348740534 /nfs/dbraw/zinc/74/05/34/348740534.db2.gz LHLAPIISJTXHOF-CJNGLKHVSA-N 1 1 258.365 3.120 20 30 CGEDMO Cc1ccnc(C[NH2+]C2(c3cccc(C#N)c3)CC2)c1 ZINC000616771638 348877463 /nfs/dbraw/zinc/87/74/63/348877463.db2.gz SYQADKFLQMOZNY-UHFFFAOYSA-N 1 1 263.344 3.041 20 30 CGEDMO CCn1ccc(C[N@@H+](C)Cc2ccc(C#N)c(F)c2)c1 ZINC000616786345 348877687 /nfs/dbraw/zinc/87/76/87/348877687.db2.gz VBZUQPHYJJPCHB-UHFFFAOYSA-N 1 1 271.339 3.151 20 30 CGEDMO CC1(C)C[N@H+](Cc2ccnc(C#N)c2)CC[C@@H]1C(F)(F)F ZINC000616809456 348879287 /nfs/dbraw/zinc/87/92/87/348879287.db2.gz HWAWZQIFUPVOGC-ZDUSSCGKSA-N 1 1 297.324 3.364 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccnc(C#N)c2)CC[C@@H]1C(F)(F)F ZINC000616809456 348879292 /nfs/dbraw/zinc/87/92/92/348879292.db2.gz HWAWZQIFUPVOGC-ZDUSSCGKSA-N 1 1 297.324 3.364 20 30 CGEDMO C=CC[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000617782954 349011516 /nfs/dbraw/zinc/01/15/16/349011516.db2.gz PVPUHSOBFJLMFE-NVXWUHKLSA-N 1 1 286.419 3.104 20 30 CGEDMO COc1ccc(C[N@@H+](C)CCCCC(C)(C)C#N)cn1 ZINC000618288424 349067257 /nfs/dbraw/zinc/06/72/57/349067257.db2.gz JZFWJTSIBLLJJI-UHFFFAOYSA-N 1 1 275.396 3.242 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000618665341 349136506 /nfs/dbraw/zinc/13/65/06/349136506.db2.gz ZFKKPTZHYHOVTK-INIZCTEOSA-N 1 1 290.451 3.278 20 30 CGEDMO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000618742121 349152302 /nfs/dbraw/zinc/15/23/02/349152302.db2.gz QCWANWQZYHWCAF-MRXNPFEDSA-N 1 1 288.354 3.212 20 30 CGEDMO N#C[C@@H]1CC[C@@H](N[C@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000619672772 349269034 /nfs/dbraw/zinc/26/90/34/349269034.db2.gz ZCKHPFPJLWQDJR-BHIYHBOVSA-N 1 1 297.446 3.495 20 30 CGEDMO N#C[C@@H]1CC[C@H](N[C@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000619672774 349269187 /nfs/dbraw/zinc/26/91/87/349269187.db2.gz ZCKHPFPJLWQDJR-NZSAHSFTSA-N 1 1 297.446 3.495 20 30 CGEDMO C[C@@]1(C#N)CCC[N@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000619781323 349285332 /nfs/dbraw/zinc/28/53/32/349285332.db2.gz XPZOKEAQVOXVEI-CABCVRRESA-N 1 1 262.397 3.104 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000619781323 349285335 /nfs/dbraw/zinc/28/53/35/349285335.db2.gz XPZOKEAQVOXVEI-CABCVRRESA-N 1 1 262.397 3.104 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cc(CO)ccc1F ZINC000625185866 350138213 /nfs/dbraw/zinc/13/82/13/350138213.db2.gz SQUUPWXXLIVQNS-UHFFFAOYSA-N 1 1 265.372 3.496 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H]1CCOC1 ZINC000271310133 191066738 /nfs/dbraw/zinc/06/67/38/191066738.db2.gz VFAUFQONUKFUCB-SNVBAGLBSA-N 1 1 257.786 3.178 20 30 CGEDMO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H]1CCOC1 ZINC000271310133 191066741 /nfs/dbraw/zinc/06/67/41/191066741.db2.gz VFAUFQONUKFUCB-SNVBAGLBSA-N 1 1 257.786 3.178 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]3CCCC[C@H]32)C1 ZINC000625699739 350197490 /nfs/dbraw/zinc/19/74/90/350197490.db2.gz GPQNKEDRTANLOJ-IXDOHACOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000625699883 350198896 /nfs/dbraw/zinc/19/88/96/350198896.db2.gz DHZIIFSBZOISCT-AWEZNQCLSA-N 1 1 285.366 3.409 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000625699884 350198905 /nfs/dbraw/zinc/19/89/05/350198905.db2.gz DHZIIFSBZOISCT-CQSZACIVSA-N 1 1 285.366 3.409 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CC/C=C/c2cncc(OC)c2)C1 ZINC000625702664 350199743 /nfs/dbraw/zinc/19/97/43/350199743.db2.gz OEQLHVCHEMQMEK-SZTZYQKNSA-N 1 1 272.392 3.392 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000625703179 350199985 /nfs/dbraw/zinc/19/99/85/350199985.db2.gz MAABUWPBUYTCIO-GFCCVEGCSA-N 1 1 275.783 3.386 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000625701691 350200219 /nfs/dbraw/zinc/20/02/19/350200219.db2.gz LNGOCMZKHWMUTQ-OAHLLOKOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCn1cc(C[N@H+]2CC(C)(C)CCC2(C)C)nn1 ZINC000625725385 350204371 /nfs/dbraw/zinc/20/43/71/350204371.db2.gz SXEJTCXHAXBPPO-UHFFFAOYSA-N 1 1 276.428 3.255 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CCC[C@@H](C/C=C/C)C2)nn1 ZINC000626165001 350277348 /nfs/dbraw/zinc/27/73/48/350277348.db2.gz YHPSVFFMVKYGMZ-SJDLMVEWSA-N 1 1 274.412 3.032 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2c(C)nn(CCC)c2C)C1 ZINC000628405448 350528449 /nfs/dbraw/zinc/52/84/49/350528449.db2.gz MNHMBFUAAPHKOO-HNNXBMFYSA-N 1 1 261.413 3.308 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)CCCC1 ZINC000628966361 350628570 /nfs/dbraw/zinc/62/85/70/350628570.db2.gz QQZSBIGPPHXEOJ-INIZCTEOSA-N 1 1 290.451 3.256 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@H](C)c2ccccc2C)nn1 ZINC000631248559 351005611 /nfs/dbraw/zinc/00/56/11/351005611.db2.gz RHPLYOWCOBBTNT-CQSZACIVSA-N 1 1 270.380 3.013 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000631769017 351139681 /nfs/dbraw/zinc/13/96/81/351139681.db2.gz HDUQOLAXTBKTHF-NVXWUHKLSA-N 1 1 298.430 3.122 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C)C2)cc1C#N ZINC000122524343 187036639 /nfs/dbraw/zinc/03/66/39/187036639.db2.gz BXTHUYLGFWMQOY-STQMWFEESA-N 1 1 258.365 3.045 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCOCC3(CCCC3)C2)ccc1F ZINC000364326705 234035599 /nfs/dbraw/zinc/03/55/99/234035599.db2.gz VUOAOENNSOSBON-UHFFFAOYSA-N 1 1 288.366 3.090 20 30 CGEDMO Cn1cc(C[N@H+]2CC[C@@](C)(c3ccccc3)C2)cc1C#N ZINC000365264468 234093667 /nfs/dbraw/zinc/09/36/67/234093667.db2.gz UYZVUOUHJDLMJH-GOSISDBHSA-N 1 1 279.387 3.060 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000292062453 198149216 /nfs/dbraw/zinc/14/92/16/198149216.db2.gz CRLFHETTWQNAEM-KDOFPFPSSA-N 1 1 284.403 3.368 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000366095028 234150557 /nfs/dbraw/zinc/15/05/57/234150557.db2.gz LJEPYHLAUWDRJV-ZDUSSCGKSA-N 1 1 270.307 3.280 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1 ZINC000367381908 234210726 /nfs/dbraw/zinc/21/07/26/234210726.db2.gz ZSGUTIRSOZIFMD-QZTJIDSGSA-N 1 1 284.403 3.197 20 30 CGEDMO CC[C@](C)([NH2+]Cc1cccc(C#N)c1)c1nccs1 ZINC000152608298 188031307 /nfs/dbraw/zinc/03/13/07/188031307.db2.gz AYPCFIFGCSOQOB-HNNXBMFYSA-N 1 1 271.389 3.430 20 30 CGEDMO C[C@@H]1CC(C)(C)C[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000412041535 235113017 /nfs/dbraw/zinc/11/30/17/235113017.db2.gz LQRFJCWDPHSSKH-CYBMUJFWSA-N 1 1 285.391 3.007 20 30 CGEDMO CCc1noc(C)c1C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000271787621 191325675 /nfs/dbraw/zinc/32/56/75/191325675.db2.gz MSJADLQVDKQLKC-UHFFFAOYSA-N 1 1 281.359 3.196 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCOC[C@H]2Cc2ccccc2)cc1 ZINC000350563283 283141475 /nfs/dbraw/zinc/14/14/75/283141475.db2.gz YLABDOOCYLMPMI-LJQANCHMSA-N 1 1 292.382 3.002 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCOC[C@H]2Cc2ccccc2)cc1 ZINC000350563283 283141480 /nfs/dbraw/zinc/14/14/80/283141480.db2.gz YLABDOOCYLMPMI-LJQANCHMSA-N 1 1 292.382 3.002 20 30 CGEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CC=CCC1 ZINC000124396179 138375110 /nfs/dbraw/zinc/37/51/10/138375110.db2.gz CBOOWGFABLNMDK-QGZVFWFLSA-N 1 1 284.403 3.363 20 30 CGEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2NCCC[NH2+]C1CC1 ZINC000423561813 236099048 /nfs/dbraw/zinc/09/90/48/236099048.db2.gz QEILYTUFMLORBR-SFHVURJKSA-N 1 1 283.419 3.057 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(C#N)o1 ZINC000425365692 236238191 /nfs/dbraw/zinc/23/81/91/236238191.db2.gz MLSKUXLSBKPTML-GFCCVEGCSA-N 1 1 265.316 3.216 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000425365692 236238193 /nfs/dbraw/zinc/23/81/93/236238193.db2.gz MLSKUXLSBKPTML-GFCCVEGCSA-N 1 1 265.316 3.216 20 30 CGEDMO COCCCCC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425540416 236259057 /nfs/dbraw/zinc/25/90/57/236259057.db2.gz VGQUIPOKIWJMPP-AWEZNQCLSA-N 1 1 260.381 3.368 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)ccc1F)C1CC(OC(C)(C)C)C1 ZINC000341664573 216055642 /nfs/dbraw/zinc/05/56/42/216055642.db2.gz HFVLMCXFZUMAKV-UHFFFAOYSA-N 1 1 290.382 3.475 20 30 CGEDMO CCCO[C@@H]1CCC[N@@H+](CCC(C)(C)C#N)CC1 ZINC000119644477 370695156 /nfs/dbraw/zinc/69/51/56/370695156.db2.gz OUIVZCSKOGDIKJ-CQSZACIVSA-N 1 1 252.402 3.207 20 30 CGEDMO CC1=CC[N@@H+](CCNc2ccc(C#N)c(Cl)c2)CC1 ZINC000302168380 201378267 /nfs/dbraw/zinc/37/82/67/201378267.db2.gz SMVDXRQRPDNIFL-UHFFFAOYSA-N 1 1 275.783 3.276 20 30 CGEDMO C=CCOc1cccc(C[N@H+](CC)C[C@H](C)C#N)c1 ZINC000120487976 370772768 /nfs/dbraw/zinc/77/27/68/370772768.db2.gz IQGGFSXLRNIRNL-CQSZACIVSA-N 1 1 258.365 3.233 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](CC)C[C@H](C)C#N)c1 ZINC000120487976 370772776 /nfs/dbraw/zinc/77/27/76/370772776.db2.gz IQGGFSXLRNIRNL-CQSZACIVSA-N 1 1 258.365 3.233 20 30 CGEDMO C=CC[N@@H+](C)Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000121363444 370854462 /nfs/dbraw/zinc/85/44/62/370854462.db2.gz RVAYRRHALNMWND-UHFFFAOYSA-N 1 1 270.254 3.464 20 30 CGEDMO C=CC[N@H+](C)Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000121363444 370854467 /nfs/dbraw/zinc/85/44/67/370854467.db2.gz RVAYRRHALNMWND-UHFFFAOYSA-N 1 1 270.254 3.464 20 30 CGEDMO C=CC[N@@H+](C)CC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000121363046 370854607 /nfs/dbraw/zinc/85/46/07/370854607.db2.gz JYJTVVZITAHIGQ-CQSZACIVSA-N 1 1 280.437 3.069 20 30 CGEDMO C=CC[N@H+](C)CC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000121363046 370854612 /nfs/dbraw/zinc/85/46/12/370854612.db2.gz JYJTVVZITAHIGQ-CQSZACIVSA-N 1 1 280.437 3.069 20 30 CGEDMO C[C@@H](C1CC1)[N@@H+](CCC(=O)Nc1ccccc1C#N)C1CC1 ZINC000121401072 370858724 /nfs/dbraw/zinc/85/87/24/370858724.db2.gz IKWBMJYLTHBGES-ZDUSSCGKSA-N 1 1 297.402 3.150 20 30 CGEDMO C[C@H]([NH2+]Cc1cc(C#N)cs1)c1nc2c(s1)CCC2 ZINC000459651618 242162128 /nfs/dbraw/zinc/16/21/28/242162128.db2.gz PNDDTULAGSMTJV-VIFPVBQESA-N 1 1 289.429 3.416 20 30 CGEDMO C=CC[N@@H+](C)CC(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000121590862 370876688 /nfs/dbraw/zinc/87/66/88/370876688.db2.gz QXFCHWOASNWSDG-SFHVURJKSA-N 1 1 286.419 3.152 20 30 CGEDMO C=CC[N@H+](C)CC(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000121590862 370876695 /nfs/dbraw/zinc/87/66/95/370876695.db2.gz QXFCHWOASNWSDG-SFHVURJKSA-N 1 1 286.419 3.152 20 30 CGEDMO CC[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)CCS1 ZINC000121595633 370877365 /nfs/dbraw/zinc/87/73/65/370877365.db2.gz ANCBHHHXPQJDFH-CYBMUJFWSA-N 1 1 264.369 3.025 20 30 CGEDMO CC[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)CCS1 ZINC000121595633 370877371 /nfs/dbraw/zinc/87/73/71/370877371.db2.gz ANCBHHHXPQJDFH-CYBMUJFWSA-N 1 1 264.369 3.025 20 30 CGEDMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000003583553 368515436 /nfs/dbraw/zinc/51/54/36/368515436.db2.gz RDXNJEZGOIKMKG-LLVKDONJSA-N 1 1 291.782 3.025 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000003583553 368515441 /nfs/dbraw/zinc/51/54/41/368515441.db2.gz RDXNJEZGOIKMKG-LLVKDONJSA-N 1 1 291.782 3.025 20 30 CGEDMO N#CC1CC[NH+](CCOc2ccc(F)cc2Cl)CC1 ZINC000032128650 368926237 /nfs/dbraw/zinc/92/62/37/368926237.db2.gz YRCHRMYUVBHOQV-UHFFFAOYSA-N 1 1 282.746 3.093 20 30 CGEDMO CCC[C@H](C)[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000036790611 369029173 /nfs/dbraw/zinc/02/91/73/369029173.db2.gz QYPPMSSNHGAGJN-ZDUSSCGKSA-N 1 1 273.380 3.007 20 30 CGEDMO CC[N@@H+](Cc1cccc2cccnc21)C[C@H](C)C#N ZINC000042287680 369210819 /nfs/dbraw/zinc/21/08/19/369210819.db2.gz COYYVURISZZUTM-CYBMUJFWSA-N 1 1 253.349 3.216 20 30 CGEDMO CC[N@H+](Cc1cccc2cccnc21)C[C@H](C)C#N ZINC000042287680 369210823 /nfs/dbraw/zinc/21/08/23/369210823.db2.gz COYYVURISZZUTM-CYBMUJFWSA-N 1 1 253.349 3.216 20 30 CGEDMO CCCc1csc(C[NH2+]Cc2cccc(C#N)c2)n1 ZINC000494035782 244261219 /nfs/dbraw/zinc/26/12/19/244261219.db2.gz BHDKVQIVYILPHA-UHFFFAOYSA-N 1 1 271.389 3.257 20 30 CGEDMO CC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000049067328 369384750 /nfs/dbraw/zinc/38/47/50/369384750.db2.gz POBNWINSGWZDJF-UHFFFAOYSA-N 1 1 291.782 3.025 20 30 CGEDMO O=C(C[N@H+]1CCC[C@@H]1C1CCCCC1)Nc1nncs1 ZINC000048580460 369360087 /nfs/dbraw/zinc/36/00/87/369360087.db2.gz ULXSKYXLDMFJLU-GFCCVEGCSA-N 1 1 294.424 3.171 20 30 CGEDMO CC[N@H+]1CCC[C@H]1CNc1cccc(Cl)c1C#N ZINC000048935798 369374585 /nfs/dbraw/zinc/37/45/85/369374585.db2.gz JXCLMSGVMASEQZ-NSHDSACASA-N 1 1 263.772 3.108 20 30 CGEDMO C[C@@H]1[C@@H](C)CCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000050564755 369441894 /nfs/dbraw/zinc/44/18/94/369441894.db2.gz KILXHVRCOWBOPJ-UONOGXRCSA-N 1 1 285.391 3.007 20 30 CGEDMO C=C(C)C[NH+]1CCN(Cc2csc(C(C)(C)C)n2)CC1 ZINC000052072967 369463119 /nfs/dbraw/zinc/46/31/19/369463119.db2.gz BFADKZCLDFJRIG-UHFFFAOYSA-N 1 1 293.480 3.134 20 30 CGEDMO CCO[C@@H]1C[C@H]([N@@H+](C)CCCC#N)C12CCCCC2 ZINC000127434630 370952470 /nfs/dbraw/zinc/95/24/70/370952470.db2.gz WSYLFLKQNRFPTE-LSDHHAIUSA-N 1 1 264.413 3.350 20 30 CGEDMO C=CCSCC[NH2+][C@@H](c1ncc[nH]1)c1ccccc1 ZINC000127853349 370958137 /nfs/dbraw/zinc/95/81/37/370958137.db2.gz NVFPZWVCGUXBKW-CQSZACIVSA-N 1 1 273.405 3.008 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1cc(C)ccc1C ZINC000276356514 193299099 /nfs/dbraw/zinc/29/90/99/193299099.db2.gz FBHSNWZCLJPZMV-AWEZNQCLSA-N 1 1 260.381 3.138 20 30 CGEDMO C[N@@H+](CCc1cccs1)Cc1ccc(C#N)cc1 ZINC000063755566 369649128 /nfs/dbraw/zinc/64/91/28/369649128.db2.gz QQDAGVRLYFDPNJ-UHFFFAOYSA-N 1 1 256.374 3.294 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000068265609 369740920 /nfs/dbraw/zinc/74/09/20/369740920.db2.gz MBEYVAKDYCUAFZ-INIZCTEOSA-N 1 1 274.408 3.104 20 30 CGEDMO C[C@@H](C1CC1)[N@@H+](CCC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000072561121 369825988 /nfs/dbraw/zinc/82/59/88/369825988.db2.gz HFZIYXXENRBIPG-ZDUSSCGKSA-N 1 1 297.402 3.150 20 30 CGEDMO CC1(C)CCC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000070259008 369793381 /nfs/dbraw/zinc/79/33/81/369793381.db2.gz RTBOQKLRJQIAOX-UHFFFAOYSA-N 1 1 258.365 3.059 20 30 CGEDMO N#Cc1ccccc1C[N@@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000074311784 369874619 /nfs/dbraw/zinc/87/46/19/369874619.db2.gz WMXJGRHHQQNMOD-LJQANCHMSA-N 1 1 292.382 3.040 20 30 CGEDMO N#Cc1ccccc1C[N@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000074311784 369874624 /nfs/dbraw/zinc/87/46/24/369874624.db2.gz WMXJGRHHQQNMOD-LJQANCHMSA-N 1 1 292.382 3.040 20 30 CGEDMO COc1ccccc1[C@H]1CCC[N@H+]1CCCSCC#N ZINC000074990159 369893995 /nfs/dbraw/zinc/89/39/95/369893995.db2.gz IRSSDOPKWVRJRH-OAHLLOKOSA-N 1 1 290.432 3.479 20 30 CGEDMO CC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H](C)C(C)C ZINC000075673590 369916433 /nfs/dbraw/zinc/91/64/33/369916433.db2.gz MQGYAFYQGPADEL-ZDUSSCGKSA-N 1 1 298.390 3.475 20 30 CGEDMO CCCN(CCC#N)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000076746456 369940882 /nfs/dbraw/zinc/94/08/82/369940882.db2.gz QWRAUPRGOFVWGE-SFHVURJKSA-N 1 1 285.435 3.277 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000076801699 369943119 /nfs/dbraw/zinc/94/31/19/369943119.db2.gz AOPJFSNIMRCPDT-ZDUSSCGKSA-N 1 1 294.826 3.243 20 30 CGEDMO N#CCC[N@@H+](CCOc1ccc(F)cc1Cl)CC1CC1 ZINC000091675475 370074810 /nfs/dbraw/zinc/07/48/10/370074810.db2.gz RHLRJKZFRDDUCH-UHFFFAOYSA-N 1 1 296.773 3.484 20 30 CGEDMO N#CCC[N@H+](CCOc1ccc(F)cc1Cl)CC1CC1 ZINC000091675475 370074812 /nfs/dbraw/zinc/07/48/12/370074812.db2.gz RHLRJKZFRDDUCH-UHFFFAOYSA-N 1 1 296.773 3.484 20 30 CGEDMO C=CCc1cc(C[N@H+]2CC[C@H](C)[C@H]2C)cc(OC)c1O ZINC000091859679 370076777 /nfs/dbraw/zinc/07/67/77/370076777.db2.gz OQHPTTHSTXVPLB-QWHCGFSZSA-N 1 1 275.392 3.360 20 30 CGEDMO C[N@@H+](CCCOc1ccccc1)Cc1ccc(C#N)o1 ZINC000091899267 370078230 /nfs/dbraw/zinc/07/82/30/370078230.db2.gz QXFFJEHLQGDIHD-UHFFFAOYSA-N 1 1 270.332 3.052 20 30 CGEDMO CC[N@@H+](Cc1c[nH]nc1-c1ccc(C)cc1)C[C@H](C)C#N ZINC000091982295 370083778 /nfs/dbraw/zinc/08/37/78/370083778.db2.gz IMUGRTLAEZMQFJ-CQSZACIVSA-N 1 1 282.391 3.367 20 30 CGEDMO CC[N@H+](Cc1c[nH]nc1-c1ccc(C)cc1)C[C@H](C)C#N ZINC000091982295 370083782 /nfs/dbraw/zinc/08/37/82/370083782.db2.gz IMUGRTLAEZMQFJ-CQSZACIVSA-N 1 1 282.391 3.367 20 30 CGEDMO CC[N@@H+](Cc1c[nH]nc1-c1cccc(C)c1)C[C@@H](C)C#N ZINC000091983193 370085370 /nfs/dbraw/zinc/08/53/70/370085370.db2.gz HGJXZPDCXLTKCV-AWEZNQCLSA-N 1 1 282.391 3.367 20 30 CGEDMO CC[N@H+](Cc1c[nH]nc1-c1cccc(C)c1)C[C@@H](C)C#N ZINC000091983193 370085372 /nfs/dbraw/zinc/08/53/72/370085372.db2.gz HGJXZPDCXLTKCV-AWEZNQCLSA-N 1 1 282.391 3.367 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H](n3cccn3)C2)cc1 ZINC000092966996 370105214 /nfs/dbraw/zinc/10/52/14/370105214.db2.gz FLVQGHFNMCQSIS-QGZVFWFLSA-N 1 1 297.402 3.285 20 30 CGEDMO CCOc1ccc(C[N@H+](CCC#N)CC2CC2)cc1OC ZINC000093091580 370107817 /nfs/dbraw/zinc/10/78/17/370107817.db2.gz XUZVSVNXXWOHON-UHFFFAOYSA-N 1 1 288.391 3.220 20 30 CGEDMO CCOc1ccc(C[N@@H+](CCC#N)CC2CC2)cc1OC ZINC000093091580 370107820 /nfs/dbraw/zinc/10/78/20/370107820.db2.gz XUZVSVNXXWOHON-UHFFFAOYSA-N 1 1 288.391 3.220 20 30 CGEDMO N#CCCCOc1cccc(C[N@H+](CCC#N)CC2CC2)c1 ZINC000093091358 370107831 /nfs/dbraw/zinc/10/78/31/370107831.db2.gz CLRGWMLEYJKXBF-UHFFFAOYSA-N 1 1 297.402 3.495 20 30 CGEDMO N#CCCCOc1cccc(C[N@@H+](CCC#N)CC2CC2)c1 ZINC000093091358 370107835 /nfs/dbraw/zinc/10/78/35/370107835.db2.gz CLRGWMLEYJKXBF-UHFFFAOYSA-N 1 1 297.402 3.495 20 30 CGEDMO CC(C)C[C@H]1COCC[N@H+]1CC(C)(C)CCC#N ZINC000093340382 370118638 /nfs/dbraw/zinc/11/86/38/370118638.db2.gz QULJULPSKCTDAQ-AWEZNQCLSA-N 1 1 252.402 3.063 20 30 CGEDMO C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1CCCC#N ZINC000102400464 370304161 /nfs/dbraw/zinc/30/41/61/370304161.db2.gz XVDYTNAVIUOEKY-KBPBESRZSA-N 1 1 295.427 3.058 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2C2CCC2)c(F)c1 ZINC000102925897 370314937 /nfs/dbraw/zinc/31/49/37/370314937.db2.gz IYRKUGZKAZKJOB-INIZCTEOSA-N 1 1 258.340 3.462 20 30 CGEDMO CC(C)C[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)N(C)C ZINC000512619472 245042337 /nfs/dbraw/zinc/04/23/37/245042337.db2.gz MAWBYBZLJGWRHR-UKRRQHHQSA-N 1 1 291.414 3.324 20 30 CGEDMO N#CCCCC[N@H+]1CCC[C@H]1COc1ccccc1 ZINC000112984924 370459540 /nfs/dbraw/zinc/45/95/40/370459540.db2.gz WMSURLJLFFYUCI-HNNXBMFYSA-N 1 1 258.365 3.224 20 30 CGEDMO CN(C)Cc1cc(C[NH2+]Cc2cccc(C#N)c2)ccc1F ZINC000115623954 370537546 /nfs/dbraw/zinc/53/75/46/370537546.db2.gz MMJSIVPTZUKJOK-UHFFFAOYSA-N 1 1 297.377 3.049 20 30 CGEDMO CC(C)[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000117348633 370588614 /nfs/dbraw/zinc/58/86/14/370588614.db2.gz HRAUIZLWEVEGQR-INIZCTEOSA-N 1 1 285.391 3.007 20 30 CGEDMO C[C@H]1SCC[N@@H+](CCCC#N)[C@H]1c1ccccc1 ZINC000118422159 370615014 /nfs/dbraw/zinc/61/50/14/370615014.db2.gz LUEXPMIJBCLOBT-UKRRQHHQSA-N 1 1 260.406 3.469 20 30 CGEDMO CC(C)C[C@@H]1CCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000130279094 371023179 /nfs/dbraw/zinc/02/31/79/371023179.db2.gz LKOHEPBUGGHFEV-ZDUSSCGKSA-N 1 1 291.420 3.069 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H](C)CC1 ZINC000130465293 371036192 /nfs/dbraw/zinc/03/61/92/371036192.db2.gz JDRHQOFMINQNDM-CYBMUJFWSA-N 1 1 258.365 3.189 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000130474908 371036594 /nfs/dbraw/zinc/03/65/94/371036594.db2.gz BMZFQCMWVJJSAZ-HOCLYGCPSA-N 1 1 270.376 3.331 20 30 CGEDMO CC[N@@H+](C)C[C@H]1CCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000135262904 371407045 /nfs/dbraw/zinc/40/70/45/371407045.db2.gz VFDOAUQLSIZLSL-MRXNPFEDSA-N 1 1 299.462 3.261 20 30 CGEDMO C[C@H](CC#N)[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000135282951 371410412 /nfs/dbraw/zinc/41/04/12/371410412.db2.gz JQTAPYXERXZUEV-CYBMUJFWSA-N 1 1 255.365 3.222 20 30 CGEDMO C[C@H](CC#N)[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000135282951 371410416 /nfs/dbraw/zinc/41/04/16/371410416.db2.gz JQTAPYXERXZUEV-CYBMUJFWSA-N 1 1 255.365 3.222 20 30 CGEDMO CN(C)Cc1ccc(C[NH2+]Cc2cccc(C#N)c2)cc1F ZINC000136068656 371459610 /nfs/dbraw/zinc/45/96/10/371459610.db2.gz NYNCJAVZSJAVFA-UHFFFAOYSA-N 1 1 297.377 3.049 20 30 CGEDMO C=CCCCCC[N@@H+](C)[C@@H](C)c1nc(CC)no1 ZINC000150878015 371544027 /nfs/dbraw/zinc/54/40/27/371544027.db2.gz JGQILRKLYKZKIO-LBPRGKRZSA-N 1 1 251.374 3.371 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H](C)c1nc(CC)no1 ZINC000150878015 371544033 /nfs/dbraw/zinc/54/40/33/371544033.db2.gz JGQILRKLYKZKIO-LBPRGKRZSA-N 1 1 251.374 3.371 20 30 CGEDMO C[N@@H+](CCOc1ccc(C#N)cc1)C1CCC(F)(F)CC1 ZINC000287086450 371601613 /nfs/dbraw/zinc/60/16/13/371601613.db2.gz WTJYVMCTSVQMGA-UHFFFAOYSA-N 1 1 294.345 3.447 20 30 CGEDMO C[C@@H]1CCc2nc(C[NH2+]Cc3cccc(C#N)c3)sc2C1 ZINC000152123382 371675665 /nfs/dbraw/zinc/67/56/65/371675665.db2.gz ZGNGAVNTVRWSBX-GFCCVEGCSA-N 1 1 297.427 3.429 20 30 CGEDMO C=CCOc1ccc(CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000287741902 371700790 /nfs/dbraw/zinc/70/07/90/371700790.db2.gz YVGJCWHCEIINIQ-IIDMSEBBSA-N 1 1 288.435 3.070 20 30 CGEDMO C=CCOc1ccc(CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000287741902 371700795 /nfs/dbraw/zinc/70/07/95/371700795.db2.gz YVGJCWHCEIINIQ-IIDMSEBBSA-N 1 1 288.435 3.070 20 30 CGEDMO C=CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)cc1 ZINC000287741902 371700803 /nfs/dbraw/zinc/70/08/03/371700803.db2.gz YVGJCWHCEIINIQ-IIDMSEBBSA-N 1 1 288.435 3.070 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)cc1F)[C@H]1CCOC(C)(C)C1 ZINC000289829880 371833682 /nfs/dbraw/zinc/83/36/82/371833682.db2.gz OOGANOXNTKRATP-HNNXBMFYSA-N 1 1 290.382 3.477 20 30 CGEDMO CC[C@H]1C[N@H+](CC#Cc2ccc(F)cc2)CCS1 ZINC000154154419 371822339 /nfs/dbraw/zinc/82/23/39/371822339.db2.gz SLJAHHUJTSUXOE-HNNXBMFYSA-N 1 1 263.381 3.005 20 30 CGEDMO CC[C@H]1C[N@@H+](CC#Cc2ccc(F)cc2)CCS1 ZINC000154154419 371822344 /nfs/dbraw/zinc/82/23/44/371822344.db2.gz SLJAHHUJTSUXOE-HNNXBMFYSA-N 1 1 263.381 3.005 20 30 CGEDMO Cc1nn(C)cc1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000154366340 371840207 /nfs/dbraw/zinc/84/02/07/371840207.db2.gz HBCASLYVIYVRFS-UHFFFAOYSA-N 1 1 282.391 3.011 20 30 CGEDMO C#CC[N@@H+](CC(=O)Nc1c(C)cccc1C)C1CCCC1 ZINC000155808459 371945148 /nfs/dbraw/zinc/94/51/48/371945148.db2.gz HWXDLNRAGVDLDL-UHFFFAOYSA-N 1 1 284.403 3.120 20 30 CGEDMO C#CC[N@H+](CC(=O)Nc1c(C)cccc1C)C1CCCC1 ZINC000155808459 371945152 /nfs/dbraw/zinc/94/51/52/371945152.db2.gz HWXDLNRAGVDLDL-UHFFFAOYSA-N 1 1 284.403 3.120 20 30 CGEDMO CC1CCC(O)(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)CC1 ZINC000344095338 217046703 /nfs/dbraw/zinc/04/67/03/217046703.db2.gz ANOOSZYBWFXGBP-UHFFFAOYSA-N 1 1 298.430 3.464 20 30 CGEDMO CC[C@H](N[C@H](C)C[N@H+](C)C(C)C)c1ccc(C#N)cc1 ZINC000290272877 371951642 /nfs/dbraw/zinc/95/16/42/371951642.db2.gz WIDSZNSOPTXDEX-PBHICJAKSA-N 1 1 273.424 3.328 20 30 CGEDMO CC[C@H](N[C@H](C)C[N@@H+](C)C(C)C)c1ccc(C#N)cc1 ZINC000290272877 371951644 /nfs/dbraw/zinc/95/16/44/371951644.db2.gz WIDSZNSOPTXDEX-PBHICJAKSA-N 1 1 273.424 3.328 20 30 CGEDMO C[N@H+](CCCCC#N)C(C)(C)CN1CCCCCC1 ZINC000426729341 372169121 /nfs/dbraw/zinc/16/91/21/372169121.db2.gz BXBQZCQTEAZASQ-UHFFFAOYSA-N 1 1 265.445 3.267 20 30 CGEDMO C[N@@H+](CCCCC#N)C(C)(C)CN1CCCCCC1 ZINC000426729341 372169125 /nfs/dbraw/zinc/16/91/25/372169125.db2.gz BXBQZCQTEAZASQ-UHFFFAOYSA-N 1 1 265.445 3.267 20 30 CGEDMO C#CCOc1ccccc1C[NH2+]Cc1oc(CCC)nc1C ZINC000291632317 372171542 /nfs/dbraw/zinc/17/15/42/372171542.db2.gz AOFPEBBJMGXAKD-UHFFFAOYSA-N 1 1 298.386 3.237 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc(Cl)cc1C#N)[C@H]1CCOC1 ZINC000291814553 372175458 /nfs/dbraw/zinc/17/54/58/372175458.db2.gz NOXUSMNADDOTIG-HNNXBMFYSA-N 1 1 278.783 3.211 20 30 CGEDMO CC[C@@]1(C)CC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000344238641 217112363 /nfs/dbraw/zinc/11/23/63/217112363.db2.gz AOHIKWCOIHMJOA-INIZCTEOSA-N 1 1 258.365 3.059 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC000428364736 372185455 /nfs/dbraw/zinc/18/54/55/372185455.db2.gz ADMJAUMYMRCMLE-UHFFFAOYSA-N 1 1 285.343 3.351 20 30 CGEDMO CC[C@@H](C)C[N@H+](CC)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000160541806 372255873 /nfs/dbraw/zinc/25/58/73/372255873.db2.gz YLRNDCLELVPQOH-CJNGLKHVSA-N 1 1 288.391 3.140 20 30 CGEDMO CC[C@@H](C)C[N@@H+](CC)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000160541806 372255875 /nfs/dbraw/zinc/25/58/75/372255875.db2.gz YLRNDCLELVPQOH-CJNGLKHVSA-N 1 1 288.391 3.140 20 30 CGEDMO CSC[C@@H]1CCC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000429289690 372341043 /nfs/dbraw/zinc/34/10/43/372341043.db2.gz YKSNMXLVWSDIQA-OAHLLOKOSA-N 1 1 296.480 3.162 20 30 CGEDMO N#CCC1(C[NH2+]Cc2c(F)cccc2Br)CC1 ZINC000430038525 372381048 /nfs/dbraw/zinc/38/10/48/372381048.db2.gz WIADUHCRTYTAHF-UHFFFAOYSA-N 1 1 297.171 3.372 20 30 CGEDMO C=CC[N@@H+](CCC#N)C[C@H](C)Cc1ccc(OC)c(F)c1 ZINC000430097789 372384900 /nfs/dbraw/zinc/38/49/00/372384900.db2.gz HUMLYPPMRVHUKS-CQSZACIVSA-N 1 1 290.382 3.415 20 30 CGEDMO C=CC[N@H+](CCC#N)C[C@H](C)Cc1ccc(OC)c(F)c1 ZINC000430097789 372384908 /nfs/dbraw/zinc/38/49/08/372384908.db2.gz HUMLYPPMRVHUKS-CQSZACIVSA-N 1 1 290.382 3.415 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430206693 372386771 /nfs/dbraw/zinc/38/67/71/372386771.db2.gz XSNIIZLGPBMPNH-UHFFFAOYSA-N 1 1 264.325 3.001 20 30 CGEDMO O[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C12CCCC2 ZINC000433034969 372578747 /nfs/dbraw/zinc/57/87/47/372578747.db2.gz VFLVCOXQRIJNIJ-INIZCTEOSA-N 1 1 289.806 3.071 20 30 CGEDMO Cc1nc([C@](C)([NH2+]CCCCC(C)(C)C#N)C2CC2)no1 ZINC000433299595 372584956 /nfs/dbraw/zinc/58/49/56/372584956.db2.gz BZJDPOXDTHPVPX-MRXNPFEDSA-N 1 1 290.411 3.313 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000168927079 372623076 /nfs/dbraw/zinc/62/30/76/372623076.db2.gz QYBUGOLLKRHUFW-UHFFFAOYSA-N 1 1 258.365 3.039 20 30 CGEDMO N#Cc1cc(F)c(NC[C@H]2CCCC[N@H+]2C2CC2)c(F)c1 ZINC000433821293 372635123 /nfs/dbraw/zinc/63/51/23/372635123.db2.gz OWSQASFDMKGQBA-CYBMUJFWSA-N 1 1 291.345 3.265 20 30 CGEDMO C=C(C)C[NH+]1CCC(NCc2csc(C)c2)CC1 ZINC000295162921 372696794 /nfs/dbraw/zinc/69/67/94/372696794.db2.gz KRBFUVYZMXQLQR-UHFFFAOYSA-N 1 1 264.438 3.187 20 30 CGEDMO CC1(C)CC[N@H+](Cc2ccc(F)cc2C#N)CCS1 ZINC000434679929 372701323 /nfs/dbraw/zinc/70/13/23/372701323.db2.gz GIDZFCDGUBKCEB-UHFFFAOYSA-N 1 1 278.396 3.415 20 30 CGEDMO CC1(C)CC[N@@H+](Cc2ccc(F)cc2C#N)CCS1 ZINC000434679929 372701327 /nfs/dbraw/zinc/70/13/27/372701327.db2.gz GIDZFCDGUBKCEB-UHFFFAOYSA-N 1 1 278.396 3.415 20 30 CGEDMO C=C(C)CN1CCC([NH2+]Cc2cccc(C)c2F)CC1 ZINC000294918665 372678030 /nfs/dbraw/zinc/67/80/30/372678030.db2.gz CLPYYLLVRJIEGO-UHFFFAOYSA-N 1 1 276.399 3.264 20 30 CGEDMO N#Cc1ccc2ncc(C[N@@H+]3CC[C@H]3c3ccccc3)n2c1 ZINC000434988197 372721393 /nfs/dbraw/zinc/72/13/93/372721393.db2.gz YTPGWNUKTJCKRM-KRWDZBQOSA-N 1 1 288.354 3.153 20 30 CGEDMO N#Cc1ccc2ncc(C[N@H+]3CC[C@H]3c3ccccc3)n2c1 ZINC000434988197 372721402 /nfs/dbraw/zinc/72/14/02/372721402.db2.gz YTPGWNUKTJCKRM-KRWDZBQOSA-N 1 1 288.354 3.153 20 30 CGEDMO C=CCOc1cccc(C[N@H+](CCO)C2CCCCC2)c1 ZINC000434989779 372722708 /nfs/dbraw/zinc/72/27/08/372722708.db2.gz CGUUQUFNIQHICU-UHFFFAOYSA-N 1 1 289.419 3.378 20 30 CGEDMO C=CC[N@H+](CCCOC(C)C)Cc1cccc(C#N)c1 ZINC000171500419 372775391 /nfs/dbraw/zinc/77/53/91/372775391.db2.gz WXSAXBHMVOAOOW-UHFFFAOYSA-N 1 1 272.392 3.361 20 30 CGEDMO CC[C@@H](C)C[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000171950022 372867114 /nfs/dbraw/zinc/86/71/14/372867114.db2.gz GZPKVZQIIQJDOD-LLVKDONJSA-N 1 1 293.798 3.128 20 30 CGEDMO CCC[N@@H+](CC)C[C@@H](C)N[C@H]1CCc2ccc(C#N)cc21 ZINC000353486815 220111242 /nfs/dbraw/zinc/11/12/42/220111242.db2.gz ZGXTZBJSDQMULO-KDOFPFPSSA-N 1 1 285.435 3.256 20 30 CGEDMO CCCN(CC)C[C@@H](C)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353486815 220111244 /nfs/dbraw/zinc/11/12/44/220111244.db2.gz ZGXTZBJSDQMULO-KDOFPFPSSA-N 1 1 285.435 3.256 20 30 CGEDMO C=CCCC[NH2+]C1(C(=O)OC)CCC(CC)CC1 ZINC000440929230 372996123 /nfs/dbraw/zinc/99/61/23/372996123.db2.gz QDSCNOJJBOPFKN-UHFFFAOYSA-N 1 1 253.386 3.054 20 30 CGEDMO C[C@@H](O)C[N@@H+](CCCC#N)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441265217 373000924 /nfs/dbraw/zinc/00/09/24/373000924.db2.gz RURKWZQVRBJSPA-UONOGXRCSA-N 1 1 294.826 3.258 20 30 CGEDMO C=C(C)CN(CC)C(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000440171698 372986131 /nfs/dbraw/zinc/98/61/31/372986131.db2.gz BICUWTQSYVZASY-MRXNPFEDSA-N 1 1 295.471 3.105 20 30 CGEDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000443337894 373150850 /nfs/dbraw/zinc/15/08/50/373150850.db2.gz WCPLELAZGKVEFM-CKEIUWERSA-N 1 1 291.822 3.173 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000443639589 373158405 /nfs/dbraw/zinc/15/84/05/373158405.db2.gz LIBMLWMYQJXGOE-LBPRGKRZSA-N 1 1 251.757 3.369 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000443642653 373161655 /nfs/dbraw/zinc/16/16/55/373161655.db2.gz SKPVCCAUSDWBFY-GFCCVEGCSA-N 1 1 251.757 3.369 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000443642653 373161665 /nfs/dbraw/zinc/16/16/65/373161665.db2.gz SKPVCCAUSDWBFY-GFCCVEGCSA-N 1 1 251.757 3.369 20 30 CGEDMO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000444652291 373222090 /nfs/dbraw/zinc/22/20/90/373222090.db2.gz REXFTKYSZKVLCB-CQSZACIVSA-N 1 1 294.439 3.370 20 30 CGEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H](O)C2)cc1 ZINC000298087133 373289422 /nfs/dbraw/zinc/28/94/22/373289422.db2.gz JFGOOYRELDDVJB-SFHVURJKSA-N 1 1 292.382 3.182 20 30 CGEDMO CCOC1(C)CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000298373249 373306857 /nfs/dbraw/zinc/30/68/57/373306857.db2.gz VDGVTKKEKYMRQR-UHFFFAOYSA-N 1 1 276.355 3.088 20 30 CGEDMO Cc1cc([C@@H]2CCC[N@@H+]2CC#Cc2ccc(F)cc2)on1 ZINC000446760117 373359047 /nfs/dbraw/zinc/35/90/47/373359047.db2.gz IJMKFGYJVWASKJ-INIZCTEOSA-N 1 1 284.334 3.311 20 30 CGEDMO Cc1cc([C@@H]2CCC[N@H+]2CC#Cc2ccc(F)cc2)on1 ZINC000446760117 373359052 /nfs/dbraw/zinc/35/90/52/373359052.db2.gz IJMKFGYJVWASKJ-INIZCTEOSA-N 1 1 284.334 3.311 20 30 CGEDMO C[N@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1ccc(C#N)cc1 ZINC000447072340 373401827 /nfs/dbraw/zinc/40/18/27/373401827.db2.gz JEOVNWRGYJXIQL-UHFFFAOYSA-N 1 1 282.391 3.211 20 30 CGEDMO C[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1ccc(C#N)cc1 ZINC000447072340 373401832 /nfs/dbraw/zinc/40/18/32/373401832.db2.gz JEOVNWRGYJXIQL-UHFFFAOYSA-N 1 1 282.391 3.211 20 30 CGEDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000447380405 373431827 /nfs/dbraw/zinc/43/18/27/373431827.db2.gz DQFXVNWPYLZQTN-KRWDZBQOSA-N 1 1 290.382 3.478 20 30 CGEDMO C=CCCCC(=O)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000175653929 373498755 /nfs/dbraw/zinc/49/87/55/373498755.db2.gz WCJZMQAHMMGMKI-INIZCTEOSA-N 1 1 284.403 3.354 20 30 CGEDMO CC(C)(C)[C@H]1C[N@@H+](CCCC(C)(C)C#N)CCO1 ZINC000447828568 373500639 /nfs/dbraw/zinc/50/06/39/373500639.db2.gz DSKHNFGNHIEWEP-CYBMUJFWSA-N 1 1 252.402 3.063 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000175834458 373526819 /nfs/dbraw/zinc/52/68/19/373526819.db2.gz IWCLSPYLJFLBDO-STQMWFEESA-N 1 1 251.395 3.212 20 30 CGEDMO CC[N@@H+](Cc1ccc2c(c1)OCCCCO2)C[C@@H](C)C#N ZINC000449013435 373652762 /nfs/dbraw/zinc/65/27/62/373652762.db2.gz CUOFRINGUPOGGI-AWEZNQCLSA-N 1 1 288.391 3.220 20 30 CGEDMO CC[N@H+](Cc1ccc2c(c1)OCCCCO2)C[C@@H](C)C#N ZINC000449013435 373652773 /nfs/dbraw/zinc/65/27/73/373652773.db2.gz CUOFRINGUPOGGI-AWEZNQCLSA-N 1 1 288.391 3.220 20 30 CGEDMO Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)ccc1C#N ZINC000449453920 373737036 /nfs/dbraw/zinc/73/70/36/373737036.db2.gz XZJOYIRUAVTRRZ-OTWHNJEPSA-N 1 1 298.430 3.382 20 30 CGEDMO CC[C@H]1CCCC[N@H+]1CCNc1cc(C#N)ccc1C(C)=O ZINC000302131984 373819808 /nfs/dbraw/zinc/81/98/08/373819808.db2.gz YNNQIVCXIPQBPO-INIZCTEOSA-N 1 1 299.418 3.437 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@@H](OC)[C@@H](C)C2)c1 ZINC000449497015 373792515 /nfs/dbraw/zinc/79/25/15/373792515.db2.gz JTRHHSZHCQAONK-WMLDXEAASA-N 1 1 275.392 3.108 20 30 CGEDMO CC(C)C[N@H+]1CCC[C@@H](CNc2c(C#N)cccc2C#N)C1 ZINC000302882027 373996054 /nfs/dbraw/zinc/99/60/54/373996054.db2.gz JMPNGOGMMPEHJV-HNNXBMFYSA-N 1 1 296.418 3.210 20 30 CGEDMO N#Cc1ccccc1-c1ccc(C[NH2+]Cc2cc[nH]n2)cc1 ZINC000180335831 373990498 /nfs/dbraw/zinc/99/04/98/373990498.db2.gz HNSUEJFYSIYSAI-UHFFFAOYSA-N 1 1 288.354 3.238 20 30 CGEDMO C=CCCC[C@@H](C)NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000181101444 374080709 /nfs/dbraw/zinc/08/07/09/374080709.db2.gz CRKDCIIVDSXFNK-HZPDHXFCSA-N 1 1 295.471 3.247 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)cc1Cl ZINC000180864589 374054849 /nfs/dbraw/zinc/05/48/49/374054849.db2.gz LVXXLOKFLQDVPM-TZMCWYRMSA-N 1 1 295.810 3.108 20 30 CGEDMO C[N@@H+](CC1(C#N)CCC1)[C@@H]1CCc2ccccc2C1 ZINC000450412635 374111795 /nfs/dbraw/zinc/11/17/95/374111795.db2.gz REBATRSIJZIFFZ-MRXNPFEDSA-N 1 1 254.377 3.170 20 30 CGEDMO CC[C@@H](CN[C@H](C)c1cccc(C#N)c1)[NH+]1CCCC1 ZINC000181477170 374129093 /nfs/dbraw/zinc/12/90/93/374129093.db2.gz XJZFWVLKENKGHE-PBHICJAKSA-N 1 1 271.408 3.083 20 30 CGEDMO COC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc(C)o1 ZINC000181848222 374181135 /nfs/dbraw/zinc/18/11/35/374181135.db2.gz ZIDZPFHIYOTGSZ-CZUORRHYSA-N 1 1 284.359 3.498 20 30 CGEDMO C[N@@H+](CC1(C#N)CCC1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000450469103 374151753 /nfs/dbraw/zinc/15/17/53/374151753.db2.gz QIKDGRFESXFZQX-QGZVFWFLSA-N 1 1 283.419 3.281 20 30 CGEDMO CC[N@@H+](CC(C)C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182651931 374305907 /nfs/dbraw/zinc/30/59/07/374305907.db2.gz RQOVEFLFQQDEEL-KRWDZBQOSA-N 1 1 299.418 3.032 20 30 CGEDMO C[C@@H](C1CCC1)[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000325575663 374358621 /nfs/dbraw/zinc/35/86/21/374358621.db2.gz OKCMXEGYSFLPGI-ZDUSSCGKSA-N 1 1 285.391 3.007 20 30 CGEDMO C=CCOc1ccccc1C[NH2+][C@H](CC)c1nccn1C ZINC000182946309 374347973 /nfs/dbraw/zinc/34/79/73/374347973.db2.gz FXRUQHFWVJECDZ-OAHLLOKOSA-N 1 1 285.391 3.226 20 30 CGEDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000330367945 374454970 /nfs/dbraw/zinc/45/49/70/374454970.db2.gz IOPYJVGJCFUTRV-PBHICJAKSA-N 1 1 299.418 3.397 20 30 CGEDMO C=CCCCC[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000574520291 335026438 /nfs/dbraw/zinc/02/64/38/335026438.db2.gz KDMJGMLIBDNSAP-UHFFFAOYSA-N 1 1 272.392 3.363 20 30 CGEDMO CC[C@@H]1[C@H](C)CC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000185597413 374695394 /nfs/dbraw/zinc/69/53/94/374695394.db2.gz VALANRPMBSCOFF-CZUORRHYSA-N 1 1 285.391 3.007 20 30 CGEDMO CC[C@H]1[C@H](C)CC[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000185601102 374695838 /nfs/dbraw/zinc/69/58/38/374695838.db2.gz MFGAJFMWEYIUIL-HIFRSBDPSA-N 1 1 288.391 3.066 20 30 CGEDMO N#Cc1cccc(OCCC[N@H+]2CCCC3(CC3)C2)c1 ZINC000186997193 374952673 /nfs/dbraw/zinc/95/26/73/374952673.db2.gz NTKCBTAEDLUNEU-UHFFFAOYSA-N 1 1 270.376 3.203 20 30 CGEDMO CCCCC[N@@H+](CCO)Cc1ccc(Cl)cc1C#N ZINC000187028336 374958666 /nfs/dbraw/zinc/95/86/66/374958666.db2.gz YDXWHWAZKXRMQK-UHFFFAOYSA-N 1 1 280.799 3.196 20 30 CGEDMO CCOC[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000187039884 374960714 /nfs/dbraw/zinc/96/07/14/374960714.db2.gz AOZVCMSMFXIWLA-CYBMUJFWSA-N 1 1 292.810 3.460 20 30 CGEDMO CCOC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000187039884 374960717 /nfs/dbraw/zinc/96/07/17/374960717.db2.gz AOZVCMSMFXIWLA-CYBMUJFWSA-N 1 1 292.810 3.460 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)N[C@@H](c1ccc(C)cc1)C1CC1 ZINC000467288431 374974689 /nfs/dbraw/zinc/97/46/89/374974689.db2.gz HUQHJEQYYQLTAU-SFHVURJKSA-N 1 1 286.419 3.070 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000472737144 375032448 /nfs/dbraw/zinc/03/24/48/375032448.db2.gz OZNSAFAPWRAQHN-QZTJIDSGSA-N 1 1 273.420 3.367 20 30 CGEDMO C[N@H+]1CC[C@H](CSc2ccc(C#N)cc2Cl)C1 ZINC000187692781 375072970 /nfs/dbraw/zinc/07/29/70/375072970.db2.gz WECUHZRQTLYVSP-NSHDSACASA-N 1 1 266.797 3.255 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCSC(C)(C)C1 ZINC000187695627 375075097 /nfs/dbraw/zinc/07/50/97/375075097.db2.gz OPOMIESGMJOAER-GFCCVEGCSA-N 1 1 260.406 3.447 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cccnc1 ZINC000187717968 375079999 /nfs/dbraw/zinc/07/99/99/375079999.db2.gz UOYKIDUJWPAKTK-CYBMUJFWSA-N 1 1 251.333 3.146 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@H]1CCCC[N@@H+]1CCCC ZINC000473175568 375046327 /nfs/dbraw/zinc/04/63/27/375046327.db2.gz PKIAMBPUEUSXMZ-NVXWUHKLSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000483080942 375174428 /nfs/dbraw/zinc/17/44/28/375174428.db2.gz YOFXETYUSZVZEQ-XYJFISCASA-N 1 1 298.430 3.269 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000483342071 375180020 /nfs/dbraw/zinc/18/00/20/375180020.db2.gz BVKAHZPSCAEOOK-NVXWUHKLSA-N 1 1 281.440 3.391 20 30 CGEDMO C[C@H](C#N)C[N@H+](CCOc1ccc(Cl)c(F)c1)C1CC1 ZINC000484074411 375186719 /nfs/dbraw/zinc/18/67/19/375186719.db2.gz JZEBMGUUTSCRDE-LLVKDONJSA-N 1 1 296.773 3.482 20 30 CGEDMO C[C@H](C#N)C[N@@H+](CCOc1ccc(Cl)c(F)c1)C1CC1 ZINC000484074411 375186722 /nfs/dbraw/zinc/18/67/22/375186722.db2.gz JZEBMGUUTSCRDE-LLVKDONJSA-N 1 1 296.773 3.482 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000188550436 375230947 /nfs/dbraw/zinc/23/09/47/375230947.db2.gz BXUPQRBSASSKFN-JZXOWHBKSA-N 1 1 286.419 3.150 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@H](N2CCCCC2)C1 ZINC000487888536 375281432 /nfs/dbraw/zinc/28/14/32/375281432.db2.gz MJXHHNXRGWQYCF-MRXNPFEDSA-N 1 1 250.430 3.293 20 30 CGEDMO C=CCCCCCN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000487888536 375281438 /nfs/dbraw/zinc/28/14/38/375281438.db2.gz MJXHHNXRGWQYCF-MRXNPFEDSA-N 1 1 250.430 3.293 20 30 CGEDMO COCC[N@@H+](Cc1cccc(C#N)c1F)[C@H]1CCC[C@H]1C ZINC000487981050 375289407 /nfs/dbraw/zinc/28/94/07/375289407.db2.gz NAAMWSXDBIKUIV-CJNGLKHVSA-N 1 1 290.382 3.334 20 30 CGEDMO COCC[N@@H+](Cc1ccc(CC#N)cc1)[C@@H]1CCC[C@@H]1C ZINC000488019989 375295925 /nfs/dbraw/zinc/29/59/25/375295925.db2.gz AZYGFGGCINRORC-MAUKXSAKSA-N 1 1 286.419 3.390 20 30 CGEDMO C=CCCCCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000488142601 375305216 /nfs/dbraw/zinc/30/52/16/375305216.db2.gz CCXBRHTXJGGULC-UHFFFAOYSA-N 1 1 275.352 3.094 20 30 CGEDMO N#CC[C@@H]1CC[C@H](Nc2[nH+]ccc3cc(F)ccc32)C1 ZINC000335347904 375266356 /nfs/dbraw/zinc/26/63/56/375266356.db2.gz DEKGDDBFKJIPHG-FZMZJTMJSA-N 1 1 269.323 3.290 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000097861635 541995403 /nfs/dbraw/zinc/99/54/03/541995403.db2.gz AWLYWQHITJIMQO-HNNXBMFYSA-N 1 1 253.349 3.325 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000496526553 375539320 /nfs/dbraw/zinc/53/93/20/375539320.db2.gz CWJCRKFIRXTEEP-MCIONIFRSA-N 1 1 295.427 3.008 20 30 CGEDMO C[C@H](CCC#N)[N@@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000496526553 375539328 /nfs/dbraw/zinc/53/93/28/375539328.db2.gz CWJCRKFIRXTEEP-MCIONIFRSA-N 1 1 295.427 3.008 20 30 CGEDMO C=CC[C@H](C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccccc1 ZINC000190184750 375482552 /nfs/dbraw/zinc/48/25/52/375482552.db2.gz SRHODFTZQZGBLH-HFTRVMKXSA-N 1 1 298.430 3.088 20 30 CGEDMO CC#CCC[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000494269179 375486727 /nfs/dbraw/zinc/48/67/27/375486727.db2.gz VWQTVSYGHCCYMY-UHFFFAOYSA-N 1 1 284.172 3.433 20 30 CGEDMO C[C@H](CCC#N)[N@@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000496321604 375527825 /nfs/dbraw/zinc/52/78/25/375527825.db2.gz FUOSJCKOJZVAPD-CYBMUJFWSA-N 1 1 297.443 3.161 20 30 CGEDMO Cn1cc(C[N@@H+]2CCSC[C@H]2c2ccccc2)cc1C#N ZINC000191218260 375596231 /nfs/dbraw/zinc/59/62/31/375596231.db2.gz WLZSKDFQMBGWRC-KRWDZBQOSA-N 1 1 297.427 3.187 20 30 CGEDMO Cn1cc(C[N@H+]2CCSC[C@H]2c2ccccc2)cc1C#N ZINC000191218260 375596238 /nfs/dbraw/zinc/59/62/38/375596238.db2.gz WLZSKDFQMBGWRC-KRWDZBQOSA-N 1 1 297.427 3.187 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2C[C@H](C)OC[C@H]2CC)cc1 ZINC000505610920 375660129 /nfs/dbraw/zinc/66/01/29/375660129.db2.gz LGERMYGZFFDRPD-GOEBONIOSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2C[C@@H](C)OC[C@@H]2CC)c1 ZINC000505635613 375660509 /nfs/dbraw/zinc/66/05/09/375660509.db2.gz KLTFSOMYAFYOMP-ZBFHGGJFSA-N 1 1 275.392 3.251 20 30 CGEDMO C[N@@H+](Cc1cccc(F)c1)Cc1ccc(C#N)c(F)c1 ZINC000191905440 375674244 /nfs/dbraw/zinc/67/42/44/375674244.db2.gz GDRMOJIAUNOWFJ-UHFFFAOYSA-N 1 1 272.298 3.468 20 30 CGEDMO CC[N@@H+](Cc1occc1C)Cc1cccc(C#N)c1 ZINC000507161799 375679959 /nfs/dbraw/zinc/67/99/59/375679959.db2.gz SQUUZLSVNSTYFS-UHFFFAOYSA-N 1 1 254.333 3.482 20 30 CGEDMO CC[N@H+](CC#Cc1ccccc1)CCc1nccs1 ZINC000192129078 375700663 /nfs/dbraw/zinc/70/06/63/375700663.db2.gz UWJFQJHGEZMCIU-UHFFFAOYSA-N 1 1 270.401 3.059 20 30 CGEDMO Cc1ccc(C[N@@H+](CCO)Cc2ccc(C#N)c(F)c2)cc1 ZINC000192174316 375706164 /nfs/dbraw/zinc/70/61/64/375706164.db2.gz NEHWOIWZWLESNJ-UHFFFAOYSA-N 1 1 298.361 3.000 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)CC1(O)CCCCCC1 ZINC000192206552 375712448 /nfs/dbraw/zinc/71/24/48/375712448.db2.gz OXAUKZJFAVDIOP-UHFFFAOYSA-N 1 1 290.382 3.214 20 30 CGEDMO CC(C)C[C@]1(CO)CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192218065 375714372 /nfs/dbraw/zinc/71/43/72/375714372.db2.gz SFHKBZOGSQJCML-KRWDZBQOSA-N 1 1 290.382 3.070 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)CC1(O)CCCCCC1 ZINC000192706514 375780907 /nfs/dbraw/zinc/78/09/07/375780907.db2.gz DPRRQBSQNSQOLW-UHFFFAOYSA-N 1 1 272.392 3.075 20 30 CGEDMO C=C(C)CC[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000509592558 375781960 /nfs/dbraw/zinc/78/19/60/375781960.db2.gz OPIJATOQFRHSJK-KRWDZBQOSA-N 1 1 259.393 3.286 20 30 CGEDMO C=C(C)CC[NH2+][C@H](C)c1noc(Cc2ccccc2)n1 ZINC000509574966 375782374 /nfs/dbraw/zinc/78/23/74/375782374.db2.gz LSKLWSQNLWIXEU-CYBMUJFWSA-N 1 1 271.364 3.277 20 30 CGEDMO C=C(C)CC[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000509358265 375779291 /nfs/dbraw/zinc/77/92/91/375779291.db2.gz NJXHAJNHUHUCDA-KRWDZBQOSA-N 1 1 259.393 3.325 20 30 CGEDMO CC1(C)C[N@H+](Cc2cccc(C#N)c2F)[C@@H]1[C@@H]1CCCO1 ZINC000336395115 375786890 /nfs/dbraw/zinc/78/68/90/375786890.db2.gz FSZVRKNVLGUOBT-GOEBONIOSA-N 1 1 288.366 3.087 20 30 CGEDMO CC1(C)C[N@@H+](Cc2cccc(C#N)c2F)[C@@H]1[C@@H]1CCCO1 ZINC000336395115 375786896 /nfs/dbraw/zinc/78/68/96/375786896.db2.gz FSZVRKNVLGUOBT-GOEBONIOSA-N 1 1 288.366 3.087 20 30 CGEDMO CC(C)N1CCC([NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000336557000 375829092 /nfs/dbraw/zinc/82/90/92/375829092.db2.gz SZHNFBCWDWZHKQ-LJQANCHMSA-N 1 1 297.446 3.398 20 30 CGEDMO CC(C)[NH+]1CCC(N[C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000336557000 375829101 /nfs/dbraw/zinc/82/91/01/375829101.db2.gz SZHNFBCWDWZHKQ-LJQANCHMSA-N 1 1 297.446 3.398 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC000528367895 375898746 /nfs/dbraw/zinc/89/87/46/375898746.db2.gz JTGJXSKCRKNBLD-QZTJIDSGSA-N 1 1 298.430 3.311 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1CC1(C#N)CC1 ZINC000528603433 375906137 /nfs/dbraw/zinc/90/61/37/375906137.db2.gz DAAQRQAGIOUJOH-GOSISDBHSA-N 1 1 297.446 3.133 20 30 CGEDMO COc1cccc([C@@H]2C[N@H+](CCC#N)CC2(C)C)c1 ZINC000528617598 375907742 /nfs/dbraw/zinc/90/77/42/375907742.db2.gz DRTQGHURFOPWFN-HNNXBMFYSA-N 1 1 258.365 3.034 20 30 CGEDMO COc1cccc([C@@H]2C[N@@H+](CCC#N)CC2(C)C)c1 ZINC000528617598 375907748 /nfs/dbraw/zinc/90/77/48/375907748.db2.gz DRTQGHURFOPWFN-HNNXBMFYSA-N 1 1 258.365 3.034 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000532586647 375952726 /nfs/dbraw/zinc/95/27/26/375952726.db2.gz XNGZIJSOCCBIID-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C[N@H+]1Cc2ccccc2[C@@H](Nc2c(F)cc(C#N)cc2F)C1 ZINC000535266216 376032780 /nfs/dbraw/zinc/03/27/80/376032780.db2.gz PLHLALAPDLHRDJ-INIZCTEOSA-N 1 1 299.324 3.435 20 30 CGEDMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2c(F)cc(C#N)cc2F)C1 ZINC000535266216 376032786 /nfs/dbraw/zinc/03/27/86/376032786.db2.gz PLHLALAPDLHRDJ-INIZCTEOSA-N 1 1 299.324 3.435 20 30 CGEDMO CC(C)[C@H](C)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000337142230 376096767 /nfs/dbraw/zinc/09/67/67/376096767.db2.gz WVEWSVLFZWWORM-AWEZNQCLSA-N 1 1 252.402 3.063 20 30 CGEDMO CC[C@@H]1CCC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337143012 376097882 /nfs/dbraw/zinc/09/78/82/376097882.db2.gz XXEDTEHHDJCCJH-OAHLLOKOSA-N 1 1 264.413 3.209 20 30 CGEDMO C=CCN1CC[C@H]([N@H+]2CCCCC[C@@H]2c2ccccc2)C1=O ZINC000337147975 376102608 /nfs/dbraw/zinc/10/26/08/376102608.db2.gz ZSWKWFWIVWEINQ-MSOLQXFVSA-N 1 1 298.430 3.391 20 30 CGEDMO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337182067 376119140 /nfs/dbraw/zinc/11/91/40/376119140.db2.gz BEGSBDPZUVROMW-PMPSAXMXSA-N 1 1 278.440 3.453 20 30 CGEDMO CC[C@H](C)C[N@@H+](CC)CCCC1(C#N)CCOCC1 ZINC000337195572 376128600 /nfs/dbraw/zinc/12/86/00/376128600.db2.gz VZXPPRKDIPLRHC-HNNXBMFYSA-N 1 1 266.429 3.455 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)CCCC1(C#N)CCOCC1 ZINC000337196830 376128851 /nfs/dbraw/zinc/12/88/51/376128851.db2.gz WQBWLCKMIXREFV-UHFFFAOYSA-N 1 1 291.439 3.349 20 30 CGEDMO CC(C)C[C@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337198602 376130997 /nfs/dbraw/zinc/13/09/97/376130997.db2.gz YGYLIIIXNNLACD-MRXNPFEDSA-N 1 1 278.440 3.455 20 30 CGEDMO C[C@@H](NCC[N@@H+](C)C1CCCCC1)c1cccc(C#N)c1 ZINC000537296498 376161353 /nfs/dbraw/zinc/16/13/53/376161353.db2.gz WJALWRGPXYJTAZ-OAHLLOKOSA-N 1 1 285.435 3.473 20 30 CGEDMO C[C@@H]([NH2+]CCN(C)C1CCCCC1)c1cccc(C#N)c1 ZINC000537296498 376161363 /nfs/dbraw/zinc/16/13/63/376161363.db2.gz WJALWRGPXYJTAZ-OAHLLOKOSA-N 1 1 285.435 3.473 20 30 CGEDMO C=CC[C@H](CC)NC(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000539703346 376326325 /nfs/dbraw/zinc/32/63/25/376326325.db2.gz NRZGFDPYMZLZES-QXSJWSMHSA-N 1 1 295.471 3.007 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccncc1F ZINC000338357953 376349197 /nfs/dbraw/zinc/34/91/97/376349197.db2.gz PSOQUIAOENTNFT-SNVBAGLBSA-N 1 1 273.286 3.082 20 30 CGEDMO COC(=O)c1oc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc1C ZINC000338363239 376351018 /nfs/dbraw/zinc/35/10/18/376351018.db2.gz SKQABCRZZAIDIV-LBPRGKRZSA-N 1 1 298.342 3.097 20 30 CGEDMO O[C@@H]1CCC[C@H]1[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1 ZINC000228497379 376437837 /nfs/dbraw/zinc/43/78/37/376437837.db2.gz AJLWXQVUYWEWOK-GBESFXJTSA-N 1 1 283.415 3.054 20 30 CGEDMO C[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)c1c(F)cccc1F ZINC000232314783 376578764 /nfs/dbraw/zinc/57/87/64/376578764.db2.gz HXVQXEMSDRDYNY-SNVBAGLBSA-N 1 1 275.302 3.026 20 30 CGEDMO CC[N@@H+](C[C@H](C)C#N)C[C@H]1CCc2ccccc2C1 ZINC000542917119 376593320 /nfs/dbraw/zinc/59/33/20/376593320.db2.gz UUUPFKQMLKASDW-CABCVRRESA-N 1 1 256.393 3.273 20 30 CGEDMO CC[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(OC)c2)C1 ZINC000234067638 376610629 /nfs/dbraw/zinc/61/06/29/376610629.db2.gz CEHUCRGMYRRUCA-ZDUSSCGKSA-N 1 1 258.365 3.189 20 30 CGEDMO CO[C@H]1C[N@@H+](CCCCC(C)(C)C#N)CC[C@@H]1C ZINC000234870974 376622728 /nfs/dbraw/zinc/62/27/28/376622728.db2.gz IOIRMBLRXOVXNR-KBPBESRZSA-N 1 1 252.402 3.063 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000544442719 376738126 /nfs/dbraw/zinc/73/81/26/376738126.db2.gz UMYPGOKICXBMRY-XYPHTWIQSA-N 1 1 286.419 3.348 20 30 CGEDMO CN1CCC[C@]2(CC[N@H+](CCCCC(C)(C)C#N)C2)C1 ZINC000339432132 376755801 /nfs/dbraw/zinc/75/58/01/376755801.db2.gz CJWOHWCEVCUUHP-KRWDZBQOSA-N 1 1 277.456 3.124 20 30 CGEDMO CN1CCC[C@]2(CC[N@@H+](CCCCC(C)(C)C#N)C2)C1 ZINC000339432132 376755809 /nfs/dbraw/zinc/75/58/09/376755809.db2.gz CJWOHWCEVCUUHP-KRWDZBQOSA-N 1 1 277.456 3.124 20 30 CGEDMO Cc1ccc2c(c1)C[N@H+](CC1(C#N)CC1)C(C)(C)C2 ZINC000339636081 376778753 /nfs/dbraw/zinc/77/87/53/376778753.db2.gz AJVQXRAPVVUEQM-UHFFFAOYSA-N 1 1 254.377 3.436 20 30 CGEDMO N#Cc1c(C[N@H+]2CC[C@@H](CC3CC3)C2)cn2ccccc12 ZINC000339671344 376798806 /nfs/dbraw/zinc/79/88/06/376798806.db2.gz GXAQDDYVDCIILC-HNNXBMFYSA-N 1 1 279.387 3.433 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@H](OC(F)F)C1 ZINC000555070302 376854492 /nfs/dbraw/zinc/85/44/92/376854492.db2.gz AMHIEJVZIYXBJU-NSHDSACASA-N 1 1 260.328 3.020 20 30 CGEDMO C=CCC1(C(=O)N(CC)C[C@@H]2CCC[N@H+]2CC)CCC1 ZINC000555727790 376858143 /nfs/dbraw/zinc/85/81/43/376858143.db2.gz NYLHOOFOTPSVRV-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccnc(OC)c1 ZINC000339865012 376871116 /nfs/dbraw/zinc/87/11/16/376871116.db2.gz HRVLNNVNPVMARU-UHFFFAOYSA-N 1 1 282.387 3.321 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](C)[C@H](C)C1 ZINC000245884999 376925208 /nfs/dbraw/zinc/92/52/08/376925208.db2.gz ISZSSTLBENQMHZ-QWHCGFSZSA-N 1 1 258.365 3.045 20 30 CGEDMO C[C@@H](NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000245899017 376930303 /nfs/dbraw/zinc/93/03/03/376930303.db2.gz NQBFPBDBEUJRAH-OWCLPIDISA-N 1 1 285.435 3.329 20 30 CGEDMO C[C@@H](NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000245899017 376930311 /nfs/dbraw/zinc/93/03/11/376930311.db2.gz NQBFPBDBEUJRAH-OWCLPIDISA-N 1 1 285.435 3.329 20 30 CGEDMO CC(C)[N@@H+]1CCC[C@@H](CN[C@H](C)c2cccc(C#N)c2)C1 ZINC000245949344 376942614 /nfs/dbraw/zinc/94/26/14/376942614.db2.gz WEEFCDIVKYVRKZ-WBVHZDCISA-N 1 1 285.435 3.329 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H](CN[C@H](C)c2cccc(C#N)c2)C1 ZINC000245949344 376942621 /nfs/dbraw/zinc/94/26/21/376942621.db2.gz WEEFCDIVKYVRKZ-WBVHZDCISA-N 1 1 285.435 3.329 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000245962093 376945532 /nfs/dbraw/zinc/94/55/32/376945532.db2.gz YJGXXNZVJQYKDX-JYJNAYRXSA-N 1 1 295.471 3.103 20 30 CGEDMO CC[N@H+]1CC[C@H](N(C)Cc2cccc(C#N)c2F)C[C@H]1C ZINC000340921710 377321676 /nfs/dbraw/zinc/32/16/76/377321676.db2.gz WLRRNBDZDMSZMP-CJNGLKHVSA-N 1 1 289.398 3.002 20 30 CGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](C)[C@@H]1C ZINC000248366873 377294929 /nfs/dbraw/zinc/29/49/29/377294929.db2.gz SQEDNNIBYBSYCX-OWCLPIDISA-N 1 1 299.418 3.052 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2cn3ccccc3c2C#N)[C@H]1C ZINC000248369271 377296909 /nfs/dbraw/zinc/29/69/09/377296909.db2.gz WBKNJAVYZGHNLK-STQMWFEESA-N 1 1 253.349 3.041 20 30 CGEDMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000563216490 377421286 /nfs/dbraw/zinc/42/12/86/377421286.db2.gz KTGCKTMNULURBO-NWDGAFQWSA-N 1 1 273.336 3.087 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(OCc2cccnc2)cc1 ZINC000567157225 377504245 /nfs/dbraw/zinc/50/42/45/377504245.db2.gz SFZCTDGETLIWET-KRWDZBQOSA-N 1 1 295.386 3.442 20 30 CGEDMO CCCC[C@@H](C)[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000567087057 377504324 /nfs/dbraw/zinc/50/43/24/377504324.db2.gz CPFMDLMKWALAEI-OAHLLOKOSA-N 1 1 293.455 3.182 20 30 CGEDMO CC[C@@H]1C[N@@H+]([C@H](C)c2cccc(C#N)c2)C[C@H](C)O1 ZINC000249472122 377505926 /nfs/dbraw/zinc/50/59/26/377505926.db2.gz SHUIWLGHMIAEBO-WOSRLPQWSA-N 1 1 258.365 3.119 20 30 CGEDMO CC[C@@H]1C[N@H+]([C@H](C)c2cccc(C#N)c2)C[C@H](C)O1 ZINC000249472122 377505934 /nfs/dbraw/zinc/50/59/34/377505934.db2.gz SHUIWLGHMIAEBO-WOSRLPQWSA-N 1 1 258.365 3.119 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000564770000 377478975 /nfs/dbraw/zinc/47/89/75/377478975.db2.gz MYBRPEVSCNHLLX-UHFFFAOYSA-N 1 1 284.281 3.021 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000249255897 377482925 /nfs/dbraw/zinc/48/29/25/377482925.db2.gz GJPGDQUTECYDPD-XYPHTWIQSA-N 1 1 272.392 3.102 20 30 CGEDMO N#CCc1ccc(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000565717117 377488212 /nfs/dbraw/zinc/48/82/12/377488212.db2.gz URVDLOKIOXRFEQ-IPMKNSEASA-N 1 1 297.446 3.153 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000566248215 377495184 /nfs/dbraw/zinc/49/51/84/377495184.db2.gz VFVDZXIRRVFZCT-OAHLLOKOSA-N 1 1 257.381 3.201 20 30 CGEDMO CC[C@H](C)C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000088495369 249026019 /nfs/dbraw/zinc/02/60/19/249026019.db2.gz GQRGHGQXSPAUCA-HNNXBMFYSA-N 1 1 271.408 3.116 20 30 CGEDMO Cc1csc([C@@H](C)[NH2+]Cc2cc(C#N)cs2)n1 ZINC000093492600 249037389 /nfs/dbraw/zinc/03/73/89/249037389.db2.gz OHYWQPUJDSVJAL-SECBINFHSA-N 1 1 263.391 3.236 20 30 CGEDMO C=CCCc1ccccc1NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000571819577 377542919 /nfs/dbraw/zinc/54/29/19/377542919.db2.gz DXGOHAJMRHLLOC-AWEZNQCLSA-N 1 1 272.392 3.084 20 30 CGEDMO CCOC[C@@H]1CCCC[N@H+]1Cc1cccc(C#N)c1F ZINC000313488927 249092093 /nfs/dbraw/zinc/09/20/93/249092093.db2.gz VGZSPWFMSCGXFS-HNNXBMFYSA-N 1 1 276.355 3.088 20 30 CGEDMO CSCC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000488226322 249172767 /nfs/dbraw/zinc/17/27/67/249172767.db2.gz WUQHSSSWLCZBPJ-CYBMUJFWSA-N 1 1 262.422 3.440 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cn1)[C@@H]1CCc2ccccc21 ZINC000574018809 377607849 /nfs/dbraw/zinc/60/78/49/377607849.db2.gz GNSARJOHJDSMOO-QGZVFWFLSA-N 1 1 263.344 3.073 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000253104227 377678515 /nfs/dbraw/zinc/67/85/15/377678515.db2.gz ZGNQQGJWCJQSLK-RCCFBDPRSA-N 1 1 284.403 3.074 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](OCCCc3ccccc3)C2)C1 ZINC000575022535 377739000 /nfs/dbraw/zinc/73/90/00/377739000.db2.gz HERTZSWNLLDUCZ-QRVBRYPASA-N 1 1 298.430 3.402 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)N(CC)C1CCCCC1 ZINC000342767210 377780516 /nfs/dbraw/zinc/78/05/16/377780516.db2.gz YFOMSUHGEXUARZ-AWEZNQCLSA-N 1 1 266.429 3.064 20 30 CGEDMO COCC[C@H]1CCCC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000342696410 377741111 /nfs/dbraw/zinc/74/11/11/377741111.db2.gz AICINEKAPHGZTP-QGZVFWFLSA-N 1 1 286.419 3.391 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1cn2cc(C)ccc2n1 ZINC000342775111 377784837 /nfs/dbraw/zinc/78/48/37/377784837.db2.gz JMBMXPVTASITSW-UHFFFAOYSA-N 1 1 295.386 3.466 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cn2cc(C)ccc2n1 ZINC000342775111 377784850 /nfs/dbraw/zinc/78/48/50/377784850.db2.gz JMBMXPVTASITSW-UHFFFAOYSA-N 1 1 295.386 3.466 20 30 CGEDMO CC1CCC([N@@H+](C[C@H]2CCCO2)CC2(C#N)CC2)CC1 ZINC000343312319 377950512 /nfs/dbraw/zinc/95/05/12/377950512.db2.gz AGQCRDCBTYRMHC-UYSNPLJNSA-N 1 1 276.424 3.350 20 30 CGEDMO CC(C)C[N@@H+](CCCC#N)C[C@H](O)c1ccc(F)cc1 ZINC000266007133 378013139 /nfs/dbraw/zinc/01/31/39/378013139.db2.gz QKQGLIMDXDASBW-INIZCTEOSA-N 1 1 278.371 3.121 20 30 CGEDMO C=CCC[N@H+](C)Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000343474454 377989848 /nfs/dbraw/zinc/98/98/48/377989848.db2.gz SKFZGEFXRXYVCS-UHFFFAOYSA-N 1 1 271.364 3.093 20 30 CGEDMO CCCC[N@H+]1CCCC[C@@H]1CNc1nccc(C)c1C#N ZINC000343516349 378003753 /nfs/dbraw/zinc/00/37/53/378003753.db2.gz VKXVEVQJXILHIM-OAHLLOKOSA-N 1 1 286.423 3.328 20 30 CGEDMO CCCC[N@H+]1CCCC[C@H]1CNc1nccc(C)c1C#N ZINC000343516348 378003861 /nfs/dbraw/zinc/00/38/61/378003861.db2.gz VKXVEVQJXILHIM-HNNXBMFYSA-N 1 1 286.423 3.328 20 30 CGEDMO C[C@H](C#N)S[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000578131739 378039355 /nfs/dbraw/zinc/03/93/55/378039355.db2.gz RXSRAAOWKSPCQV-UKRRQHHQSA-N 1 1 260.406 3.296 20 30 CGEDMO COc1cccc2c(NCCCC#N)cc(C)[nH+]c12 ZINC000343611234 378039821 /nfs/dbraw/zinc/03/98/21/378039821.db2.gz UVNNESJYMHWCAT-UHFFFAOYSA-N 1 1 255.321 3.268 20 30 CGEDMO C=CCC(CC=C)C(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000343615236 378040867 /nfs/dbraw/zinc/04/08/67/378040867.db2.gz RCSHECWBCXLKHW-GDBMZVCRSA-N 1 1 278.440 3.086 20 30 CGEDMO CCC[N@@H+](CC)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000343645282 378052399 /nfs/dbraw/zinc/05/23/99/378052399.db2.gz JTXXYOVSJJTYBU-LLVKDONJSA-N 1 1 293.798 3.271 20 30 CGEDMO Cc1cc[nH+]c(N2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000268317529 378053291 /nfs/dbraw/zinc/05/32/91/378053291.db2.gz MCBAYRWACSLINZ-UHFFFAOYSA-N 1 1 293.370 3.310 20 30 CGEDMO C=CC[N@H+](C)Cc1cccc(Br)c1OC ZINC000266012621 190222837 /nfs/dbraw/zinc/22/28/37/190222837.db2.gz MKYSZTIUABCTFC-UHFFFAOYSA-N 1 1 270.170 3.076 20 30 CGEDMO C=CCC(CC=C)C(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC000343668825 378059915 /nfs/dbraw/zinc/05/99/15/378059915.db2.gz JERNDCZLBPCFIN-MRXNPFEDSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000268565797 378074779 /nfs/dbraw/zinc/07/47/79/378074779.db2.gz PZXKNICMAYOGQB-DGCLKSJQSA-N 1 1 269.335 3.285 20 30 CGEDMO COCCSc1ccc([C@H](C)[NH2+]CC2(C#N)CC2)cc1 ZINC000343568182 378023655 /nfs/dbraw/zinc/02/36/55/378023655.db2.gz ZIRPOXLHMDQEEH-ZDUSSCGKSA-N 1 1 290.432 3.379 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@H](C(C)(C)C)C[C@H]1C ZINC000578902633 378112469 /nfs/dbraw/zinc/11/24/69/378112469.db2.gz UCBXBMVYZKBLPY-ILXRZTDVSA-N 1 1 253.430 3.460 20 30 CGEDMO C=CCCOCC[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000343859916 378116270 /nfs/dbraw/zinc/11/62/70/378116270.db2.gz LGXBQOFTTOLVAT-SECBINFHSA-N 1 1 294.342 3.405 20 30 CGEDMO C=CCC(CC=C)C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000343928384 378135412 /nfs/dbraw/zinc/13/54/12/378135412.db2.gz BMNRYWYKPJAJOF-GJZGRUSLSA-N 1 1 278.440 3.134 20 30 CGEDMO N#Cc1ncccc1S[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000580094616 378224083 /nfs/dbraw/zinc/22/40/83/378224083.db2.gz QHYKHSKRGSCHPR-OAHLLOKOSA-N 1 1 295.411 3.320 20 30 CGEDMO C=C(C)CN1CC[N@@H+](CC(=C)C)C[C@@H]1[C@H](C)CC ZINC000270010176 378293900 /nfs/dbraw/zinc/29/39/00/378293900.db2.gz LPPCSQRYHWALML-HZPDHXFCSA-N 1 1 250.430 3.171 20 30 CGEDMO C=C(C)CN1CC[N@H+](CC(=C)C)C[C@@H]1[C@H](C)CC ZINC000270010176 378293905 /nfs/dbraw/zinc/29/39/05/378293905.db2.gz LPPCSQRYHWALML-HZPDHXFCSA-N 1 1 250.430 3.171 20 30 CGEDMO N#Cc1cccc(OCC[N@H+]2CC=C(C(F)(F)F)CC2)c1 ZINC000270243139 378325958 /nfs/dbraw/zinc/32/59/58/378325958.db2.gz HYBHKSWCELGXIP-UHFFFAOYSA-N 1 1 296.292 3.131 20 30 CGEDMO N#Cc1cccc(OCC[N@@H+]2CC=C(C(F)(F)F)CC2)c1 ZINC000270243139 378325964 /nfs/dbraw/zinc/32/59/64/378325964.db2.gz HYBHKSWCELGXIP-UHFFFAOYSA-N 1 1 296.292 3.131 20 30 CGEDMO C[N@@H+]1CC[C@@]2(C1)CCCN(CCC1(C#N)CCCCC1)C2 ZINC000595505845 378402488 /nfs/dbraw/zinc/40/24/88/378402488.db2.gz ZLQAJFUNABLPFL-GOSISDBHSA-N 1 1 289.467 3.268 20 30 CGEDMO C[N@H+]1CC[C@@]2(C1)CCCN(CCC1(C#N)CCCCC1)C2 ZINC000595505845 378402490 /nfs/dbraw/zinc/40/24/90/378402490.db2.gz ZLQAJFUNABLPFL-GOSISDBHSA-N 1 1 289.467 3.268 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(F)cn1 ZINC000345809741 378375903 /nfs/dbraw/zinc/37/59/03/378375903.db2.gz KBUVTRWLUWJULX-UHFFFAOYSA-N 1 1 286.350 3.418 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(F)cn1 ZINC000345809741 378375907 /nfs/dbraw/zinc/37/59/07/378375907.db2.gz KBUVTRWLUWJULX-UHFFFAOYSA-N 1 1 286.350 3.418 20 30 CGEDMO C#CCCC[N@H+](CCC)[C@@H](C)C(=O)Nc1ccccc1 ZINC000271062351 378446037 /nfs/dbraw/zinc/44/60/37/378446037.db2.gz STMIMKRMLLRXRZ-HNNXBMFYSA-N 1 1 272.392 3.139 20 30 CGEDMO CCCN1CCC([NH2+][C@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000346059490 378451856 /nfs/dbraw/zinc/45/18/56/378451856.db2.gz CLSYGGAMOZTBBL-CYBMUJFWSA-N 1 1 289.398 3.222 20 30 CGEDMO CC[N@@H+](Cc1ccn(C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000271098666 378452688 /nfs/dbraw/zinc/45/26/88/378452688.db2.gz ODVNENUNVRCPOA-CQSZACIVSA-N 1 1 267.376 3.480 20 30 CGEDMO C=CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000346112042 378467255 /nfs/dbraw/zinc/46/72/55/378467255.db2.gz XKVPUTXYKRVECX-KRWDZBQOSA-N 1 1 286.419 3.076 20 30 CGEDMO CC(C)[N@@H+](CCOc1ccc(C#N)cc1)Cc1ccco1 ZINC000346288112 378533835 /nfs/dbraw/zinc/53/38/35/378533835.db2.gz DSHXAOLLJPTPRM-UHFFFAOYSA-N 1 1 284.359 3.441 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(CO)cc1 ZINC000272263927 378599305 /nfs/dbraw/zinc/59/93/05/378599305.db2.gz KMTOXRJJBBQGOZ-UHFFFAOYSA-N 1 1 271.360 3.003 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(CO)cc1)Cc1ccc(OC)cc1 ZINC000272294747 378605189 /nfs/dbraw/zinc/60/51/89/378605189.db2.gz HNMAPZDAISCHMT-UHFFFAOYSA-N 1 1 297.398 3.376 20 30 CGEDMO C=CCCC[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272463006 378642999 /nfs/dbraw/zinc/64/29/99/378642999.db2.gz KOOZFSBOACTWAB-AEFFLSMTSA-N 1 1 272.436 3.453 20 30 CGEDMO CC(C)Oc1ccc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1C#N ZINC000272926168 378723891 /nfs/dbraw/zinc/72/38/91/378723891.db2.gz USFPFBJOJUJONQ-IAGOWNOFSA-N 1 1 299.418 3.384 20 30 CGEDMO CC[N@H+](CC#Cc1ccc(F)cc1)Cc1ccncc1 ZINC000348120377 378799771 /nfs/dbraw/zinc/79/97/71/378799771.db2.gz ARZSUSXTBIRUTC-UHFFFAOYSA-N 1 1 268.335 3.094 20 30 CGEDMO CC[N@@H+](CC#Cc1ccc(F)cc1)Cc1ccncc1 ZINC000348120377 378799779 /nfs/dbraw/zinc/79/97/79/378799779.db2.gz ARZSUSXTBIRUTC-UHFFFAOYSA-N 1 1 268.335 3.094 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCCC2(CCC2)C1 ZINC000348191338 378830620 /nfs/dbraw/zinc/83/06/20/378830620.db2.gz CIFSSLVHESDUIL-UHFFFAOYSA-N 1 1 270.376 3.333 20 30 CGEDMO N#CC1(C[N@H+]2CCC[C@H](OCc3ccccc3F)C2)CC1 ZINC000348238712 378857334 /nfs/dbraw/zinc/85/73/34/378857334.db2.gz ZCPIDCVFQVWMRC-HNNXBMFYSA-N 1 1 288.366 3.110 20 30 CGEDMO N#CC1(C[N@@H+]2CCC[C@H](OCc3ccccc3F)C2)CC1 ZINC000348238712 378857345 /nfs/dbraw/zinc/85/73/45/378857345.db2.gz ZCPIDCVFQVWMRC-HNNXBMFYSA-N 1 1 288.366 3.110 20 30 CGEDMO COc1nc(C)cc(C)c1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000346877387 218044011 /nfs/dbraw/zinc/04/40/11/218044011.db2.gz WZQBQVJGMBLNMY-UHFFFAOYSA-N 1 1 295.386 3.211 20 30 CGEDMO COc1nc(C)cc(C)c1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000346877387 218044013 /nfs/dbraw/zinc/04/40/13/218044013.db2.gz WZQBQVJGMBLNMY-UHFFFAOYSA-N 1 1 295.386 3.211 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(COCCOC)cc1 ZINC000348356347 378926487 /nfs/dbraw/zinc/92/64/87/378926487.db2.gz MWYVGAXPDHARPR-SFHVURJKSA-N 1 1 289.419 3.390 20 30 CGEDMO C=CCC[C@H](C(=O)NCCn1cc[nH+]c1C)c1ccccc1 ZINC000275207417 378948399 /nfs/dbraw/zinc/94/83/99/378948399.db2.gz BUUVNTPKMWUZAJ-KRWDZBQOSA-N 1 1 297.402 3.058 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)c(Cn2cccn2)c1)C1CC1 ZINC000639062143 378996061 /nfs/dbraw/zinc/99/60/61/378996061.db2.gz RBVVBHCMCPBTFW-UHFFFAOYSA-N 1 1 297.402 3.090 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3ccco3)C2)cc1F ZINC000370681513 379051263 /nfs/dbraw/zinc/05/12/63/379051263.db2.gz BJQFIEJAXGDUBG-AWEZNQCLSA-N 1 1 270.307 3.280 20 30 CGEDMO N#Cc1csc(C[N@H+](Cc2ccccn2)C2CC2)c1 ZINC000349241921 379201931 /nfs/dbraw/zinc/20/19/31/379201931.db2.gz LDRAMYHGYCZDHT-UHFFFAOYSA-N 1 1 269.373 3.179 20 30 CGEDMO N#Cc1csc(C[N@@H+](Cc2ccccn2)C2CC2)c1 ZINC000349241921 379201943 /nfs/dbraw/zinc/20/19/43/379201943.db2.gz LDRAMYHGYCZDHT-UHFFFAOYSA-N 1 1 269.373 3.179 20 30 CGEDMO COC(=O)[C@@H]1CCCCC[N@H+]1CCCCC(C)(C)C#N ZINC000373117764 379225772 /nfs/dbraw/zinc/22/57/72/379225772.db2.gz KCDXBFJBSVZNMC-AWEZNQCLSA-N 1 1 280.412 3.124 20 30 CGEDMO CC[C@H]([NH2+]Cc1cc(C)no1)c1ccc(C#N)cc1 ZINC000278908595 194208208 /nfs/dbraw/zinc/20/82/08/194208208.db2.gz ZZIAMCFICHYQGS-HNNXBMFYSA-N 1 1 255.321 3.096 20 30 CGEDMO CC[C@H](NC[C@H](C)C[NH+]1CCCC1)c1ccc(C#N)cc1 ZINC000278339074 379354373 /nfs/dbraw/zinc/35/43/73/379354373.db2.gz XFGPHKNCAQSXDB-YJBOKZPZSA-N 1 1 285.435 3.331 20 30 CGEDMO Cc1ncsc1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000349912434 379444017 /nfs/dbraw/zinc/44/40/17/379444017.db2.gz KFKMTANVKGXZBM-UHFFFAOYSA-N 1 1 283.400 3.488 20 30 CGEDMO Cc1ncsc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000349912434 379444024 /nfs/dbraw/zinc/44/40/24/379444024.db2.gz KFKMTANVKGXZBM-UHFFFAOYSA-N 1 1 283.400 3.488 20 30 CGEDMO N#Cc1ccc(C[N@H+](C[C@@H](O)c2ccccc2)C2CC2)cc1 ZINC000279360489 379419627 /nfs/dbraw/zinc/41/96/27/379419627.db2.gz KINJEPYWLRFNLL-LJQANCHMSA-N 1 1 292.382 3.256 20 30 CGEDMO C=C(Br)C[NH+]1CCC(c2ccc(C)nc2)CC1 ZINC000374658428 379473234 /nfs/dbraw/zinc/47/32/34/379473234.db2.gz BKCMNNRLPZWYCP-UHFFFAOYSA-N 1 1 295.224 3.478 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1coc(-c2cccc(OC)c2)n1 ZINC000639571607 379483214 /nfs/dbraw/zinc/48/32/14/379483214.db2.gz KBHHCIWPBXVOAX-UHFFFAOYSA-N 1 1 272.348 3.358 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1coc(-c2cccc(OC)c2)n1 ZINC000639571607 379483226 /nfs/dbraw/zinc/48/32/26/379483226.db2.gz KBHHCIWPBXVOAX-UHFFFAOYSA-N 1 1 272.348 3.358 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)c(OCC)c1)C1CC1 ZINC000350270729 379532496 /nfs/dbraw/zinc/53/24/96/379532496.db2.gz UKXVDNVTAPVQJT-UHFFFAOYSA-N 1 1 261.365 3.244 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)C[C@H](C)c2ccccc2)n1 ZINC000279727041 379502691 /nfs/dbraw/zinc/50/26/91/379502691.db2.gz MTBJQQGFRRHRLH-INIZCTEOSA-N 1 1 281.403 3.142 20 30 CGEDMO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](CCC(C)(C)C#N)C1 ZINC000376550413 379576994 /nfs/dbraw/zinc/57/69/94/379576994.db2.gz DUIJLVOAHZAFHS-UKRRQHHQSA-N 1 1 257.381 3.404 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCc2nnn(C3CC(C)C3)c2C1 ZINC000640038399 379698583 /nfs/dbraw/zinc/69/85/83/379698583.db2.gz AJUNBOFVCNXHGI-SHARSMKWSA-N 1 1 288.439 3.352 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCC2(C#N)CCOCC2)CCC1(F)F ZINC000352018305 379750197 /nfs/dbraw/zinc/75/01/97/379750197.db2.gz PKMVXIUWYUWFNV-CYBMUJFWSA-N 1 1 286.366 3.064 20 30 CGEDMO CO[C@]1(C)CCC[N@@H+](Cc2cn3ccccc3c2C#N)CC1 ZINC000280636810 379751996 /nfs/dbraw/zinc/75/19/96/379751996.db2.gz XWUPYXWWFSUMTF-GOSISDBHSA-N 1 1 297.402 3.202 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000280719609 379772598 /nfs/dbraw/zinc/77/25/98/379772598.db2.gz CAQYKYOFFYLXKF-OTWHNJEPSA-N 1 1 298.430 3.464 20 30 CGEDMO CC1(C)C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)[C@@H]2CCC[C@H]21 ZINC000378831690 379857771 /nfs/dbraw/zinc/85/77/71/379857771.db2.gz KHVKNCBTCWDFFT-HZPDHXFCSA-N 1 1 297.402 3.007 20 30 CGEDMO CC1(C)C[N@@H+](CCOc2cccc(C#N)c2)[C@H]2CCC[C@@H]21 ZINC000378844479 379859600 /nfs/dbraw/zinc/85/96/00/379859600.db2.gz QSQFKZPXFHIKQD-IRXDYDNUSA-N 1 1 284.403 3.448 20 30 CGEDMO CC[NH+](CC)C[C@@H]1CCN(CCCCC(C)(C)C#N)C1 ZINC000409446487 380035554 /nfs/dbraw/zinc/03/55/54/380035554.db2.gz BRJYGSGUVCFZBV-INIZCTEOSA-N 1 1 279.472 3.370 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](COC(F)F)C1 ZINC000353027197 380080990 /nfs/dbraw/zinc/08/09/90/380080990.db2.gz MKVYSBWFUMKJEG-YPMHNXCESA-N 1 1 280.318 3.180 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H]1CC[C@@H](C)O1 ZINC000352923689 380040137 /nfs/dbraw/zinc/04/01/37/380040137.db2.gz VXQAYDIZMFYUDU-NVXWUHKLSA-N 1 1 291.439 3.410 20 30 CGEDMO COc1cccc(C2=CC[N@H+]([C@@H](C)CCC#N)CC2)c1 ZINC000411217942 380136962 /nfs/dbraw/zinc/13/69/62/380136962.db2.gz HXYNIDRICFLZKC-AWEZNQCLSA-N 1 1 270.376 3.477 20 30 CGEDMO C[C@@H]1CCC[C@@H](CO)[N@H+]1CCC1(C#N)CCCCC1 ZINC000411397147 380141347 /nfs/dbraw/zinc/14/13/47/380141347.db2.gz HDGYADUBQCHSHC-CABCVRRESA-N 1 1 264.413 3.086 20 30 CGEDMO N#CC1(CC[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)CCCCC1 ZINC000411397021 380141413 /nfs/dbraw/zinc/14/14/13/380141413.db2.gz LDVHCOXNBRGLKI-HZPDHXFCSA-N 1 1 276.424 3.209 20 30 CGEDMO C[N@@H+](CCc1nccs1)CCC1(C#N)CCCCC1 ZINC000411399118 380142107 /nfs/dbraw/zinc/14/21/07/380142107.db2.gz FGHIAPGYCISYRH-UHFFFAOYSA-N 1 1 277.437 3.482 20 30 CGEDMO CCCOc1ccc([C@@H](C)[NH2+]CCC#N)cc1OC ZINC000411447355 380147071 /nfs/dbraw/zinc/14/70/71/380147071.db2.gz JQNWRKJCLVXLIH-GFCCVEGCSA-N 1 1 262.353 3.048 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000353059825 380096785 /nfs/dbraw/zinc/09/67/85/380096785.db2.gz ZCEFDGXILZCNKD-OAHLLOKOSA-N 1 1 261.340 3.439 20 30 CGEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)CCOC ZINC000411189765 380134300 /nfs/dbraw/zinc/13/43/00/380134300.db2.gz GLSIGCBJRJIUMG-CYBMUJFWSA-N 1 1 278.352 3.008 20 30 CGEDMO N#Cc1ccc2c(c1)[C@@H](N[C@H]1CC[N@@H+](C3CCCC3)C1)CC2 ZINC000353389019 380206431 /nfs/dbraw/zinc/20/64/31/380206431.db2.gz QXAVQCQSVUUZIE-LPHOPBHVSA-N 1 1 295.430 3.152 20 30 CGEDMO N#Cc1ccc2c(c1)[C@@H](N[C@H]1CC[N@H+](C3CCCC3)C1)CC2 ZINC000353389019 380206435 /nfs/dbraw/zinc/20/64/35/380206435.db2.gz QXAVQCQSVUUZIE-LPHOPBHVSA-N 1 1 295.430 3.152 20 30 CGEDMO C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000353268316 380199732 /nfs/dbraw/zinc/19/97/32/380199732.db2.gz REZNSAUSJSRTPL-LZLYRXPVSA-N 1 1 283.419 3.008 20 30 CGEDMO CCC[N@@H+]1CCC[C@H]1CN[C@H](C)c1cccc(C#N)c1 ZINC000353972744 380258914 /nfs/dbraw/zinc/25/89/14/380258914.db2.gz OPGCLECPEGMAIW-PBHICJAKSA-N 1 1 271.408 3.083 20 30 CGEDMO CCC[N@H+]1CCC[C@H]1CN[C@H](C)c1cccc(C#N)c1 ZINC000353972744 380258919 /nfs/dbraw/zinc/25/89/19/380258919.db2.gz OPGCLECPEGMAIW-PBHICJAKSA-N 1 1 271.408 3.083 20 30 CGEDMO Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000353927874 380239430 /nfs/dbraw/zinc/23/94/30/380239430.db2.gz WRBYJXHUFVVXOF-FUHWJXTLSA-N 1 1 294.402 3.298 20 30 CGEDMO Cc1n[nH]c(C)c1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000353927874 380239431 /nfs/dbraw/zinc/23/94/31/380239431.db2.gz WRBYJXHUFVVXOF-FUHWJXTLSA-N 1 1 294.402 3.298 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000354099798 380323256 /nfs/dbraw/zinc/32/32/56/380323256.db2.gz HQHMWNUDENVYQL-IAGOWNOFSA-N 1 1 287.403 3.110 20 30 CGEDMO C[C@@H](C#N)C[N@H+](Cc1ccc(OCC(F)F)cc1)C1CC1 ZINC000354034077 380290225 /nfs/dbraw/zinc/29/02/25/380290225.db2.gz OYKOKURIMSWDCK-LBPRGKRZSA-N 1 1 294.345 3.455 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](Cc1ccc(OCC(F)F)cc1)C1CC1 ZINC000354034077 380290229 /nfs/dbraw/zinc/29/02/29/380290229.db2.gz OYKOKURIMSWDCK-LBPRGKRZSA-N 1 1 294.345 3.455 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000644786064 380510809 /nfs/dbraw/zinc/51/08/09/380510809.db2.gz BOGDQEOIQLYCDN-CABCVRRESA-N 1 1 297.851 3.443 20 30 CGEDMO Cc1cc(C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)ccc1C#N ZINC000354707265 380533175 /nfs/dbraw/zinc/53/31/75/380533175.db2.gz NMROAAWOSQMJDY-ZWKOTPCHSA-N 1 1 282.387 3.010 20 30 CGEDMO Cc1cc(C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)ccc1C#N ZINC000354707265 380533178 /nfs/dbraw/zinc/53/31/78/380533178.db2.gz NMROAAWOSQMJDY-ZWKOTPCHSA-N 1 1 282.387 3.010 20 30 CGEDMO C=CCCC1(C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000355036131 380569953 /nfs/dbraw/zinc/56/99/53/380569953.db2.gz KFGUZJVFFYJYTK-OWCLPIDISA-N 1 1 292.467 3.215 20 30 CGEDMO CC#CC[N@H+](C)Cc1cc(Cl)ccc1OC(F)F ZINC000645262240 380635725 /nfs/dbraw/zinc/63/57/25/380635725.db2.gz QAMYCIBRSJYNGB-UHFFFAOYSA-N 1 1 273.710 3.397 20 30 CGEDMO CC#CC[N@@H+](C)Cc1cc(Cl)ccc1OC(F)F ZINC000645262240 380635729 /nfs/dbraw/zinc/63/57/29/380635729.db2.gz QAMYCIBRSJYNGB-UHFFFAOYSA-N 1 1 273.710 3.397 20 30 CGEDMO C=CCOCCN[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000645116042 380587405 /nfs/dbraw/zinc/58/74/05/380587405.db2.gz BTDAYRLPQUPDOT-SFHVURJKSA-N 1 1 288.435 3.006 20 30 CGEDMO CO[C@H](CC(C)C)C[N@@H+](CCC#N)CC(C)(C)C ZINC000419209183 380779910 /nfs/dbraw/zinc/77/99/10/380779910.db2.gz SJJNEWVYLFECHH-CQSZACIVSA-N 1 1 254.418 3.309 20 30 CGEDMO COCCCC[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000419376945 380822326 /nfs/dbraw/zinc/82/23/26/380822326.db2.gz AELQBEXBHVIXFZ-UHFFFAOYSA-N 1 1 299.336 3.415 20 30 CGEDMO N#CCSCCC[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420950082 380862996 /nfs/dbraw/zinc/86/29/96/380862996.db2.gz PMKGLUUXWISCNR-NSHDSACASA-N 1 1 280.359 3.298 20 30 CGEDMO N#CCSCCC[N@H+]1CC[C@H](C2CCCC2)C1 ZINC000420958315 380867875 /nfs/dbraw/zinc/86/78/75/380867875.db2.gz BZXUQVHZRRNRMT-AWEZNQCLSA-N 1 1 252.427 3.145 20 30 CGEDMO C[NH+](C)CC[C@@H](NCc1ccc(C#N)c(F)c1)C(C)(C)C ZINC000421352442 380891626 /nfs/dbraw/zinc/89/16/26/380891626.db2.gz DHNQJFXVRPKVSV-MRXNPFEDSA-N 1 1 291.414 3.153 20 30 CGEDMO Cc1ccc2nc(C[NH2+]Cc3ccc(C#N)c(C)c3)cn2c1 ZINC000356957428 380956391 /nfs/dbraw/zinc/95/63/91/380956391.db2.gz FTCJFRHNUNPCLI-UHFFFAOYSA-N 1 1 290.370 3.113 20 30 CGEDMO CC[C@H]1C[C@@H](C[N@@H+](C)Cc2cc(C#N)ccc2F)CCO1 ZINC000356912525 380934780 /nfs/dbraw/zinc/93/47/80/380934780.db2.gz JPFXQNJRSLHGMH-HOCLYGCPSA-N 1 1 290.382 3.334 20 30 CGEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@H](C)C1CCC1 ZINC000357043802 381009647 /nfs/dbraw/zinc/00/96/47/381009647.db2.gz RVLRULNLXHRROP-CYBMUJFWSA-N 1 1 288.391 3.066 20 30 CGEDMO C[C@H](C1CCC1)[N@@H+](C)Cc1cn2ccccc2c1C#N ZINC000357038451 381006245 /nfs/dbraw/zinc/00/62/45/381006245.db2.gz NGTVZYRBOHQSNO-CYBMUJFWSA-N 1 1 267.376 3.431 20 30 CGEDMO C[C@@H]1CCC[C@H](C)C[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000357740302 381271408 /nfs/dbraw/zinc/27/14/08/381271408.db2.gz JAFQHXNEZAXKEN-LSDHHAIUSA-N 1 1 299.418 3.397 20 30 CGEDMO C[C@@H](C#N)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000357834681 381284888 /nfs/dbraw/zinc/28/48/88/381284888.db2.gz RKWOFBXMYZIJLQ-KBPBESRZSA-N 1 1 285.391 3.017 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000358623764 381319388 /nfs/dbraw/zinc/31/93/88/381319388.db2.gz HMIAEMSTALJENL-HNNXBMFYSA-N 1 1 287.407 3.007 20 30 CGEDMO CCC[N@@H+](CC)C[C@@H](C)Nc1nc(C)c(C#N)cc1Cl ZINC000359954832 381386331 /nfs/dbraw/zinc/38/63/31/381386331.db2.gz QLVQJINWSGJBIV-LLVKDONJSA-N 1 1 294.830 3.447 20 30 CGEDMO CC[C@@H](C)C[N@@H+](CC)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000361336087 381703703 /nfs/dbraw/zinc/70/37/03/381703703.db2.gz MDCATBUIEXROFJ-CYBMUJFWSA-N 1 1 298.390 3.476 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@](C)(CC)C1 ZINC000362390375 381971123 /nfs/dbraw/zinc/97/11/23/381971123.db2.gz ITYUFWXDUAAZDL-DOTOQJQBSA-N 1 1 280.456 3.312 20 30 CGEDMO Cc1ccccc1CN1CCC[N@@H+](CCCCC#N)CC1 ZINC000363079499 382181106 /nfs/dbraw/zinc/18/11/06/382181106.db2.gz AMJBXELMULRSOU-UHFFFAOYSA-N 1 1 285.435 3.197 20 30 CGEDMO Cc1ccccc1C[N@@H+]1CCCN(CCCCC#N)CC1 ZINC000363079499 382181110 /nfs/dbraw/zinc/18/11/10/382181110.db2.gz AMJBXELMULRSOU-UHFFFAOYSA-N 1 1 285.435 3.197 20 30 CGEDMO Cc1ccccc1C[N@H+]1CCCN(CCCCC#N)CC1 ZINC000363079499 382181116 /nfs/dbraw/zinc/18/11/16/382181116.db2.gz AMJBXELMULRSOU-UHFFFAOYSA-N 1 1 285.435 3.197 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](c2noc(C)n2)C1 ZINC000365850036 382296380 /nfs/dbraw/zinc/29/63/80/382296380.db2.gz QVBHZJNSRZHAMA-CQSZACIVSA-N 1 1 263.385 3.304 20 30 CGEDMO C=CCC1(C(=O)N2CCC(n3c[nH+]cc3C)CC2)CCC1 ZINC000365989268 382301207 /nfs/dbraw/zinc/30/12/07/382301207.db2.gz NPXGQHQOYLDEBV-UHFFFAOYSA-N 1 1 287.407 3.101 20 30 CGEDMO C[C@@H]1[C@H](N2CCCC2)CC[N@@H+]1CCCCC(C)(C)C#N ZINC000367889642 382359975 /nfs/dbraw/zinc/35/99/75/382359975.db2.gz DIIFEZNFSZYAAN-HZPDHXFCSA-N 1 1 277.456 3.265 20 30 CGEDMO C[C@@H]1[C@H](N2CCCC2)CC[N@H+]1CCCCC(C)(C)C#N ZINC000367889642 382359980 /nfs/dbraw/zinc/35/99/80/382359980.db2.gz DIIFEZNFSZYAAN-HZPDHXFCSA-N 1 1 277.456 3.265 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cn3ccccc3c2C#N)C(C)(C)C1 ZINC000350338613 219010923 /nfs/dbraw/zinc/01/09/23/219010923.db2.gz ZBSNAABPPSFUIJ-ZDUSSCGKSA-N 1 1 267.376 3.431 20 30 CGEDMO Cc1ccccc1C[NH+]1CCN(CC(C)(C)CCC#N)CC1 ZINC000179693881 260064679 /nfs/dbraw/zinc/06/46/79/260064679.db2.gz ZKCGTJFJKXYVAX-UHFFFAOYSA-N 1 1 299.462 3.443 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCC2(C#N)CCOCC2)C(C)(C)C1 ZINC000337169719 262427714 /nfs/dbraw/zinc/42/77/14/262427714.db2.gz DTFRGVJLGKRWRN-AWEZNQCLSA-N 1 1 264.413 3.207 20 30 CGEDMO CC[C@H](CSC)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000337198120 262432591 /nfs/dbraw/zinc/43/25/91/262432591.db2.gz ZJADUSFHMVWFMR-CQSZACIVSA-N 1 1 284.469 3.160 20 30 CGEDMO C=CCN(CC=C)[C@@H](C[NH2+][C@@H](C)c1nccs1)C(C)C ZINC000093396943 392236987 /nfs/dbraw/zinc/23/69/87/392236987.db2.gz ARDLTAKDFIYORM-GJZGRUSLSA-N 1 1 293.480 3.492 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)CC[C@H](C)O)cc1Cl ZINC000093481112 392237857 /nfs/dbraw/zinc/23/78/57/392237857.db2.gz OUCNWHINBSULIA-LBPRGKRZSA-N 1 1 283.799 3.108 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000093533690 392239342 /nfs/dbraw/zinc/23/93/42/392239342.db2.gz YLAYFXGYZDUYEV-UHFFFAOYSA-N 1 1 273.355 3.409 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC(=O)c1cc(C)n(CC)c1C ZINC000078575965 392218472 /nfs/dbraw/zinc/21/84/72/392218472.db2.gz RWJOIJXFXNQZLD-UHFFFAOYSA-N 1 1 262.397 3.206 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)c1cc(C)n(CC)c1C ZINC000078575965 392218474 /nfs/dbraw/zinc/21/84/74/392218474.db2.gz RWJOIJXFXNQZLD-UHFFFAOYSA-N 1 1 262.397 3.206 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1F)C[C@H]1CCCCO1 ZINC000106867298 392311556 /nfs/dbraw/zinc/31/15/56/392311556.db2.gz RCFVYJRJPMCKMZ-MRXNPFEDSA-N 1 1 290.382 3.478 20 30 CGEDMO C=C(C)C[N@H+](CCc1ccnn1C)Cc1ccccc1 ZINC000283299905 392304446 /nfs/dbraw/zinc/30/44/46/392304446.db2.gz XIONHFOPOUSWHD-UHFFFAOYSA-N 1 1 269.392 3.041 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1ncc(-c2ccccc2F)o1 ZINC000286107616 392377401 /nfs/dbraw/zinc/37/74/01/392377401.db2.gz LJKVRJJFSLJTDS-UHFFFAOYSA-N 1 1 272.323 3.324 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1ncc(-c2ccccc2F)o1 ZINC000286107616 392377407 /nfs/dbraw/zinc/37/74/07/392377407.db2.gz LJKVRJJFSLJTDS-UHFFFAOYSA-N 1 1 272.323 3.324 20 30 CGEDMO C[N@H+]1Cc2ccc(NCC(C)(C)CCC#N)cc2C1 ZINC000121255532 392410266 /nfs/dbraw/zinc/41/02/66/392410266.db2.gz WBKDHRSLGSHQSI-UHFFFAOYSA-N 1 1 257.381 3.374 20 30 CGEDMO C=C(Br)C[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000289293453 392418815 /nfs/dbraw/zinc/41/88/15/392418815.db2.gz HJEIXPKXNKCNAL-CYBMUJFWSA-N 1 1 281.197 3.170 20 30 CGEDMO C=C(Br)C[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000289293453 392418819 /nfs/dbraw/zinc/41/88/19/392418819.db2.gz HJEIXPKXNKCNAL-CYBMUJFWSA-N 1 1 281.197 3.170 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000366096111 392450171 /nfs/dbraw/zinc/45/01/71/392450171.db2.gz QHOBVBNQXJZAOB-HNNXBMFYSA-N 1 1 269.429 3.227 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](CC)C(=O)Nc1ccc(OC)cc1 ZINC000121081414 392406366 /nfs/dbraw/zinc/40/63/66/392406366.db2.gz AELVJGNFMQSFSE-MRXNPFEDSA-N 1 1 290.407 3.310 20 30 CGEDMO CC#CCC[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000155195562 392539622 /nfs/dbraw/zinc/53/96/22/392539622.db2.gz LVJHBRWETCPTGS-QGZVFWFLSA-N 1 1 257.377 3.081 20 30 CGEDMO C[N@H+]1CCC[C@@]2(CCN(c3ccc(C#N)c(Cl)c3)C2)C1 ZINC000292696839 392510092 /nfs/dbraw/zinc/51/00/92/392510092.db2.gz FWZJFLSHMGXTQB-MRXNPFEDSA-N 1 1 289.810 3.134 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000156493991 392548139 /nfs/dbraw/zinc/54/81/39/392548139.db2.gz HQGCWUKDWPULHO-QGZVFWFLSA-N 1 1 272.392 3.270 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000374176933 392671632 /nfs/dbraw/zinc/67/16/32/392671632.db2.gz WRWQMZZNUNGTIN-CAOSSQGBSA-N 1 1 251.414 3.214 20 30 CGEDMO CC[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1cccc([N+](=O)[O-])c1 ZINC000178673969 392684067 /nfs/dbraw/zinc/68/40/67/392684067.db2.gz DXINMOBLYXHGJA-IUODEOHRSA-N 1 1 286.335 3.079 20 30 CGEDMO COc1ccc(C[N@H+](CCC#N)CC2CC2)cc1Cl ZINC000179042544 392687577 /nfs/dbraw/zinc/68/75/77/392687577.db2.gz WHTRWLRFVLWXFX-UHFFFAOYSA-N 1 1 278.783 3.474 20 30 CGEDMO COc1ccc(C[N@@H+](CCC#N)CC2CC2)cc1Cl ZINC000179042544 392687584 /nfs/dbraw/zinc/68/75/84/392687584.db2.gz WHTRWLRFVLWXFX-UHFFFAOYSA-N 1 1 278.783 3.474 20 30 CGEDMO C[C@@H]1[C@@H](C)CCC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000172855047 392621425 /nfs/dbraw/zinc/62/14/25/392621425.db2.gz SUTPERJZSKOTQN-JKSUJKDBSA-N 1 1 299.418 3.054 20 30 CGEDMO COc1ccccc1C[C@H](C)[N@@H+](C)CCCSCC#N ZINC000173901190 392630814 /nfs/dbraw/zinc/63/08/14/392630814.db2.gz IGDGRJPLIWVCFU-AWEZNQCLSA-N 1 1 292.448 3.205 20 30 CGEDMO C[C@H](c1cnccn1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000373351662 392660613 /nfs/dbraw/zinc/66/06/13/392660613.db2.gz APWLAMFUMMYJTA-CQSZACIVSA-N 1 1 290.370 3.199 20 30 CGEDMO C[C@H](c1cnccn1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000373351662 392660616 /nfs/dbraw/zinc/66/06/16/392660616.db2.gz APWLAMFUMMYJTA-CQSZACIVSA-N 1 1 290.370 3.199 20 30 CGEDMO C[N@@H+](CCCC(C)(C)C#N)Cc1ccc(Cl)nc1 ZINC000177627797 392664038 /nfs/dbraw/zinc/66/40/38/392664038.db2.gz VJIJGKKGOIWFMB-UHFFFAOYSA-N 1 1 265.788 3.497 20 30 CGEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1c(C)cc(C)cc1Cl ZINC000181244556 392723824 /nfs/dbraw/zinc/72/38/24/392723824.db2.gz PMHPBQLQSIHYBK-UHFFFAOYSA-N 1 1 280.799 3.403 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)Nc1c(C)cc(C)cc1Cl ZINC000181244556 392723830 /nfs/dbraw/zinc/72/38/30/392723830.db2.gz PMHPBQLQSIHYBK-UHFFFAOYSA-N 1 1 280.799 3.403 20 30 CGEDMO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1nccn1C ZINC000334923932 392758116 /nfs/dbraw/zinc/75/81/16/392758116.db2.gz XTSQOICXNKLKNP-LRDDRELGSA-N 1 1 280.375 3.020 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000186314863 392782508 /nfs/dbraw/zinc/78/25/08/392782508.db2.gz ZFXRCCPFKKDMBI-AWEZNQCLSA-N 1 1 265.360 3.455 20 30 CGEDMO CCC1(CC)C[N@H+]([C@H]2CC[C@H](C#N)C2)CCS1 ZINC000336337352 392848966 /nfs/dbraw/zinc/84/89/66/392848966.db2.gz UIWWDLWIMQPMSG-STQMWFEESA-N 1 1 252.427 3.286 20 30 CGEDMO N#C[C@H]1CCC[C@H](Nc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000193097851 392870650 /nfs/dbraw/zinc/87/06/50/392870650.db2.gz OPYTYQDPENOCLR-RDJZCZTQSA-N 1 1 299.418 3.013 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nc2ccccc2nc1C ZINC000489511536 542715813 /nfs/dbraw/zinc/71/58/13/542715813.db2.gz NFLODHVFFQENLK-AWEZNQCLSA-N 1 1 267.376 3.479 20 30 CGEDMO N#CCCOCC[N@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000339081306 392945402 /nfs/dbraw/zinc/94/54/02/392945402.db2.gz NVOCLODYZOKZPN-OAGJVSPASA-N 1 1 270.376 3.094 20 30 CGEDMO COC1(CC[N@@H+](CCC#N)CC(C)(C)C)CCC1 ZINC000338998987 392939083 /nfs/dbraw/zinc/93/90/83/392939083.db2.gz ABHCXHKJLSAEPC-UHFFFAOYSA-N 1 1 252.402 3.207 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000459338435 392942164 /nfs/dbraw/zinc/94/21/64/392942164.db2.gz KKQPJTSMAVCTGE-DOMZBBRYSA-N 1 1 285.347 3.231 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000459338435 392942169 /nfs/dbraw/zinc/94/21/69/392942169.db2.gz KKQPJTSMAVCTGE-DOMZBBRYSA-N 1 1 285.347 3.231 20 30 CGEDMO C=CCOCC[N@H+]1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000339061457 392943039 /nfs/dbraw/zinc/94/30/39/392943039.db2.gz KSLQFMJPUSZWQO-OLZOCXBDSA-N 1 1 263.356 3.336 20 30 CGEDMO C=CCOCC[N@@H+]1CC=C(c2cccc(C)c2)CC1 ZINC000339064310 392943185 /nfs/dbraw/zinc/94/31/85/392943185.db2.gz FFOUOVAPZWZDHM-UHFFFAOYSA-N 1 1 257.377 3.287 20 30 CGEDMO N#CCCOCC[N@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000339081305 392945770 /nfs/dbraw/zinc/94/57/70/392945770.db2.gz NVOCLODYZOKZPN-IBSYWUHOSA-N 1 1 270.376 3.094 20 30 CGEDMO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000530289316 542744830 /nfs/dbraw/zinc/74/48/30/542744830.db2.gz IMWSAJHEUJVSEQ-MRXNPFEDSA-N 1 1 284.403 3.036 20 30 CGEDMO C=CCCC1(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000530289316 542744833 /nfs/dbraw/zinc/74/48/33/542744833.db2.gz IMWSAJHEUJVSEQ-MRXNPFEDSA-N 1 1 284.403 3.036 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC(F)(F)C[C@@H]1C ZINC000528765212 392971227 /nfs/dbraw/zinc/97/12/27/392971227.db2.gz AVGFAFZCBZXZDJ-LBPRGKRZSA-N 1 1 264.319 3.486 20 30 CGEDMO C[C@@H](CO)[N@@H+](CCC1(C#N)CCCCC1)C1CCCC1 ZINC000411600016 392982200 /nfs/dbraw/zinc/98/22/00/392982200.db2.gz DAHLTZMLQJMXIS-HNNXBMFYSA-N 1 1 278.440 3.476 20 30 CGEDMO C[C@@H]1CC[C@H]([N@@H+](CCO)CCC2(C#N)CCCCC2)C1 ZINC000411653276 392983478 /nfs/dbraw/zinc/98/34/78/392983478.db2.gz VQNIIFBPXQYHOA-CVEARBPZSA-N 1 1 278.440 3.333 20 30 CGEDMO CO[C@H]1CC[N@@H+](CCC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000411691731 392984602 /nfs/dbraw/zinc/98/46/02/392984602.db2.gz IDQMPZFQGIRXQX-GJZGRUSLSA-N 1 1 264.413 3.350 20 30 CGEDMO COc1ccc(C[N@@H+](C)CCCSCC#N)cc1Cl ZINC000412034546 392995505 /nfs/dbraw/zinc/99/55/05/392995505.db2.gz DUQMTIWFURSNHC-UHFFFAOYSA-N 1 1 298.839 3.427 20 30 CGEDMO C[N@H+](Cc1ccccc1)Cc1cccc(C#N)c1F ZINC000219511588 393002853 /nfs/dbraw/zinc/00/28/53/393002853.db2.gz JCGDDWWVVLEFCI-UHFFFAOYSA-N 1 1 254.308 3.329 20 30 CGEDMO C[N@@H+](Cc1ccccc1)Cc1cccc(C#N)c1F ZINC000219511588 393002861 /nfs/dbraw/zinc/00/28/61/393002861.db2.gz JCGDDWWVVLEFCI-UHFFFAOYSA-N 1 1 254.308 3.329 20 30 CGEDMO COCC1(C#N)CC[NH+](Cc2ccc(Cl)c(C)c2)CC1 ZINC000342838523 393010270 /nfs/dbraw/zinc/01/02/70/393010270.db2.gz OXWMQXLKCMFPJY-UHFFFAOYSA-N 1 1 292.810 3.401 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000351320141 393181370 /nfs/dbraw/zinc/18/13/70/393181370.db2.gz AKWCTPQBNROOBW-SJORKVTESA-N 1 1 277.383 3.160 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000349368612 393146258 /nfs/dbraw/zinc/14/62/58/393146258.db2.gz KAGDGTCXYSDEIL-OAHLLOKOSA-N 1 1 286.423 3.055 20 30 CGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1[C@H](C)C[C@@H]1C ZINC000547769601 393146454 /nfs/dbraw/zinc/14/64/54/393146454.db2.gz CLMRIELNVAWATE-AXFHLTTASA-N 1 1 291.782 3.021 20 30 CGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1[C@H](C)C[C@@H]1C ZINC000547769601 393146456 /nfs/dbraw/zinc/14/64/56/393146456.db2.gz CLMRIELNVAWATE-AXFHLTTASA-N 1 1 291.782 3.021 20 30 CGEDMO C=CCCCC[NH2+]Cc1cn(-c2ccncc2)nc1C ZINC000349606343 393151112 /nfs/dbraw/zinc/15/11/12/393151112.db2.gz BEJWSVJILCPELE-UHFFFAOYSA-N 1 1 270.380 3.022 20 30 CGEDMO COC(=O)c1cccc(C[N@H+]2CCCCC[C@H]2C)c1C#N ZINC000547948519 393160310 /nfs/dbraw/zinc/16/03/10/393160310.db2.gz ABBUVVAZMIJCBQ-CYBMUJFWSA-N 1 1 286.375 3.109 20 30 CGEDMO C[C@H]1CCCC[N@@H+]1CCN[C@H]1CCc2ccc(C#N)cc21 ZINC000353411602 393221084 /nfs/dbraw/zinc/22/10/84/393221084.db2.gz KNUULBUKLXSIKZ-KSSFIOAISA-N 1 1 283.419 3.010 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCN[C@H]1CCc2ccc(C#N)cc21 ZINC000353411602 393221089 /nfs/dbraw/zinc/22/10/89/393221089.db2.gz KNUULBUKLXSIKZ-KSSFIOAISA-N 1 1 283.419 3.010 20 30 CGEDMO C[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1ccc(C#N)cc1 ZINC000271889103 393256027 /nfs/dbraw/zinc/25/60/27/393256027.db2.gz RLLSYMDUVIJZBM-NHYWBVRUSA-N 1 1 266.348 3.010 20 30 CGEDMO C=CCC(CC=C)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000355403511 393306756 /nfs/dbraw/zinc/30/67/56/393306756.db2.gz OZGGHZQTXNCGAP-UHFFFAOYSA-N 1 1 269.348 3.350 20 30 CGEDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000470948093 393267245 /nfs/dbraw/zinc/26/72/45/393267245.db2.gz KHGVURNUXVIYBX-BXUZGUMPSA-N 1 1 298.308 3.210 20 30 CGEDMO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000417385662 393349541 /nfs/dbraw/zinc/34/95/41/393349541.db2.gz MEYRCDVRWLKVKH-OHHBCXFOSA-N 1 1 297.446 3.254 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCSC[C@@H]2C2CCC2)s1 ZINC000418128823 393361903 /nfs/dbraw/zinc/36/19/03/393361903.db2.gz RFHXNKOOCVAUDR-CQSZACIVSA-N 1 1 278.446 3.337 20 30 CGEDMO CC[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356297189 393412493 /nfs/dbraw/zinc/41/24/93/393412493.db2.gz FBZCXEPGGQKKLA-DGCLKSJQSA-N 1 1 263.410 3.415 20 30 CGEDMO C[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000430179138 393532868 /nfs/dbraw/zinc/53/28/68/393532868.db2.gz NQIOXTWCYAUKRN-HYVNUMGLSA-N 1 1 299.418 3.233 20 30 CGEDMO Cc1cc(C[N@@H+]2CCC[C@]2(CO)CC(C)C)ccc1C#N ZINC000488967458 393567974 /nfs/dbraw/zinc/56/79/74/393567974.db2.gz ONDDKMWVNWOVLA-GOSISDBHSA-N 1 1 286.419 3.240 20 30 CGEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2NCCC[NH+]1CCCC1 ZINC000360830615 393594674 /nfs/dbraw/zinc/59/46/74/393594674.db2.gz DIHYAJUZDUPYPM-IBGZPJMESA-N 1 1 297.446 3.401 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC=C(COC)CC1 ZINC000361139638 393683074 /nfs/dbraw/zinc/68/30/74/393683074.db2.gz HEHZQUUKLRLLFY-UHFFFAOYSA-N 1 1 273.376 3.030 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C(C)C)[C@H]2CCOC2)cc1 ZINC000361054491 393657624 /nfs/dbraw/zinc/65/76/24/393657624.db2.gz UFKHOUJFYSNDCG-INIZCTEOSA-N 1 1 275.392 3.251 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1Cc2ccccc2[C@H]1C ZINC000361057395 393659189 /nfs/dbraw/zinc/65/91/89/393659189.db2.gz MDTDTYZQOFHUKD-HUUCEWRRSA-N 1 1 286.419 3.376 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1Cc2ccccc2[C@H]1C ZINC000361057395 393659193 /nfs/dbraw/zinc/65/91/93/393659193.db2.gz MDTDTYZQOFHUKD-HUUCEWRRSA-N 1 1 286.419 3.376 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1ccn(C)c1)c1ccc(Cl)cc1 ZINC000491738430 393698425 /nfs/dbraw/zinc/69/84/25/393698425.db2.gz CKBOZLRAANPREU-OAHLLOKOSA-N 1 1 258.752 3.143 20 30 CGEDMO C[C@@H]1C[C@H](C)CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000443638588 393768930 /nfs/dbraw/zinc/76/89/30/393768930.db2.gz DWMBBQVDWCRSPW-HUUCEWRRSA-N 1 1 299.418 3.255 20 30 CGEDMO Cc1cc(C[NH2+]CCN(C(C)C)C(C)C)ccc1C#N ZINC000443967461 393779232 /nfs/dbraw/zinc/77/92/32/393779232.db2.gz MGSDGIRODOOZIN-UHFFFAOYSA-N 1 1 273.424 3.075 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)CCCC1 ZINC000449612873 393920982 /nfs/dbraw/zinc/92/09/82/393920982.db2.gz PCLJFTPZBHGHQZ-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO COC[C@@H]1CCC[N@H+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000452101718 394050480 /nfs/dbraw/zinc/05/04/80/394050480.db2.gz KBTMBNJPKSBMMW-HUUCEWRRSA-N 1 1 272.392 3.368 20 30 CGEDMO Cc1cc(C[N@H+](Cc2cnn(C)c2)CC(C)C)ccc1C#N ZINC000453605748 394256269 /nfs/dbraw/zinc/25/62/69/394256269.db2.gz COFGQZLLELKELG-UHFFFAOYSA-N 1 1 296.418 3.258 20 30 CGEDMO CCn1ccnc1[C@H](C)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000453373130 394226398 /nfs/dbraw/zinc/22/63/98/394226398.db2.gz WSYKGTFJJLACGU-BLLLJJGKSA-N 1 1 280.375 3.113 20 30 CGEDMO Cc1cc(C#N)cc(NC(=O)CCn2cc[nH+]c2C(C)C)c1 ZINC000456973585 394303509 /nfs/dbraw/zinc/30/35/09/394303509.db2.gz WGFOOHNMRSGHMN-UHFFFAOYSA-N 1 1 296.374 3.215 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2ccc(OC)c(O)c2)C1 ZINC000668492451 543021065 /nfs/dbraw/zinc/02/10/65/543021065.db2.gz BAZMZKAAOKUGFY-ZDUSSCGKSA-N 1 1 261.365 3.189 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000668492566 543020172 /nfs/dbraw/zinc/02/01/72/543020172.db2.gz CVZOEUKNNFUFPV-OAHLLOKOSA-N 1 1 282.391 3.055 20 30 CGEDMO OCC[C@H]1CCCCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000671248338 543165602 /nfs/dbraw/zinc/16/56/02/543165602.db2.gz RCBCMZCJZIPKMT-QGZVFWFLSA-N 1 1 291.822 3.319 20 30 CGEDMO C=CC[C@@H](C)[C@@H](C)[NH2+]CCc1ccc2cn[nH]c2c1 ZINC000671301790 543168236 /nfs/dbraw/zinc/16/82/36/543168236.db2.gz PSPDWVLOMDIICP-CHWSQXEVSA-N 1 1 257.381 3.296 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000671715839 543180285 /nfs/dbraw/zinc/18/02/85/543180285.db2.gz QRRQPDVGUUYUMF-KGLIPLIRSA-N 1 1 251.757 3.024 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000671715839 543180286 /nfs/dbraw/zinc/18/02/86/543180286.db2.gz QRRQPDVGUUYUMF-KGLIPLIRSA-N 1 1 251.757 3.024 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)c1ccncc1 ZINC000671720953 543180870 /nfs/dbraw/zinc/18/08/70/543180870.db2.gz VOAVCQWAKCFWGJ-AWEZNQCLSA-N 1 1 286.375 3.306 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)c1ccncc1 ZINC000671720953 543180874 /nfs/dbraw/zinc/18/08/74/543180874.db2.gz VOAVCQWAKCFWGJ-AWEZNQCLSA-N 1 1 286.375 3.306 20 30 CGEDMO CCC#C[C@@H](C)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000671723139 543181197 /nfs/dbraw/zinc/18/11/97/543181197.db2.gz GXMUBMFYBLOERL-QUCCMNQESA-N 1 1 296.458 3.386 20 30 CGEDMO CCC#C[C@@H](C)[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000671723139 543181206 /nfs/dbraw/zinc/18/12/06/543181206.db2.gz GXMUBMFYBLOERL-QUCCMNQESA-N 1 1 296.458 3.386 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000671723139 543181208 /nfs/dbraw/zinc/18/12/08/543181208.db2.gz GXMUBMFYBLOERL-QUCCMNQESA-N 1 1 296.458 3.386 20 30 CGEDMO C=CCCCC[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000649628450 397717541 /nfs/dbraw/zinc/71/75/41/397717541.db2.gz UULCJLLETWOHGK-UHFFFAOYSA-N 1 1 259.349 3.216 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1Cc2ccccc2N(C)C[C@@H]1CC ZINC000675502502 543344765 /nfs/dbraw/zinc/34/47/65/543344765.db2.gz RUJYYXOKESDKAG-IRXDYDNUSA-N 1 1 288.435 3.044 20 30 CGEDMO COCC#CC[N@@H+](C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000677818295 543467016 /nfs/dbraw/zinc/46/70/16/543467016.db2.gz IPSKVVSISDVQBJ-GFCCVEGCSA-N 1 1 285.309 3.348 20 30 CGEDMO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC#CCOC ZINC000677818486 543467370 /nfs/dbraw/zinc/46/73/70/543467370.db2.gz PPCQNKOGTBMRFS-ROUUACIJSA-N 1 1 271.404 3.294 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000678625492 543547355 /nfs/dbraw/zinc/54/73/55/543547355.db2.gz WOWYJMAPNOQWSE-QGZVFWFLSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C(CC)CN1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000678625492 543547357 /nfs/dbraw/zinc/54/73/57/543547357.db2.gz WOWYJMAPNOQWSE-QGZVFWFLSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C(CC)CN1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000678625492 543547359 /nfs/dbraw/zinc/54/73/59/543547359.db2.gz WOWYJMAPNOQWSE-QGZVFWFLSA-N 1 1 258.409 3.159 20 30 CGEDMO CC(C)[N@@H+](Cc1cn2ccccc2c1C#N)C1CC1 ZINC000073605582 287004787 /nfs/dbraw/zinc/00/47/87/287004787.db2.gz TVUZLCIHNQZYJB-UHFFFAOYSA-N 1 1 253.349 3.184 20 30 CGEDMO COc1cc(C#N)ccc1OCC[N@H+]1C[C@@H](C)CC[C@@H]1C ZINC000076149691 165109784 /nfs/dbraw/zinc/10/97/84/165109784.db2.gz CFHJZSYZWCXLOD-KBPBESRZSA-N 1 1 288.391 3.066 20 30 CGEDMO CC[C@@H](CSC)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000091097571 165256710 /nfs/dbraw/zinc/25/67/10/165256710.db2.gz FVCHMXFFXQDFLB-AWEZNQCLSA-N 1 1 266.385 3.271 20 30 CGEDMO CC[C@@H](CSC)[N@@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000091098254 165257245 /nfs/dbraw/zinc/25/72/45/165257245.db2.gz LFWIMZVSBRAFAK-AWEZNQCLSA-N 1 1 278.421 3.140 20 30 CGEDMO COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@H](C#N)CCC#N ZINC000024099436 171432023 /nfs/dbraw/zinc/43/20/23/171432023.db2.gz SOAFMYDZVVLROS-KGLIPLIRSA-N 1 1 271.364 3.098 20 30 CGEDMO CC(C)C[C@H](CN[C@@H](C)c1cccc(C#N)c1)[NH+](C)C ZINC000037240975 173056855 /nfs/dbraw/zinc/05/68/55/173056855.db2.gz OFMRJSOXUVKTDU-WMLDXEAASA-N 1 1 273.424 3.185 20 30 CGEDMO C=CCOc1ccc(CNC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000038028764 174017970 /nfs/dbraw/zinc/01/79/70/174017970.db2.gz LNVRLWKOJZQOLG-INIZCTEOSA-N 1 1 288.435 3.215 20 30 CGEDMO COc1ccc(C[N@@H+](Cc2cccnc2)C(C)C)cc1C#N ZINC000093224515 416497269 /nfs/dbraw/zinc/49/72/69/416497269.db2.gz YZTVXIQBSQTLHQ-UHFFFAOYSA-N 1 1 295.386 3.372 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1ccn(-c2cccc(F)c2)n1 ZINC000679217499 543600290 /nfs/dbraw/zinc/60/02/90/543600290.db2.gz GJMCONFBHVAEMH-UHFFFAOYSA-N 1 1 259.328 3.019 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccn(-c2cccc(F)c2)n1 ZINC000679217499 543600294 /nfs/dbraw/zinc/60/02/94/543600294.db2.gz GJMCONFBHVAEMH-UHFFFAOYSA-N 1 1 259.328 3.019 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CC[C@H](C)[C@@H](F)C2)c1 ZINC000679358614 543627648 /nfs/dbraw/zinc/62/76/48/543627648.db2.gz LBQCSXUOJDBIEI-BBRMVZONSA-N 1 1 263.356 3.431 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)c1 ZINC000679358614 543627650 /nfs/dbraw/zinc/62/76/50/543627650.db2.gz LBQCSXUOJDBIEI-BBRMVZONSA-N 1 1 263.356 3.431 20 30 CGEDMO C=CC[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000679405609 543635923 /nfs/dbraw/zinc/63/59/23/543635923.db2.gz GFYWAZCZCLGYOT-UHFFFAOYSA-N 1 1 259.349 3.346 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)C[C@@H]1COc2ccccc2O1 ZINC000679329573 543619877 /nfs/dbraw/zinc/61/98/77/543619877.db2.gz UPBPNKCVHKJVOA-MRXNPFEDSA-N 1 1 299.370 3.150 20 30 CGEDMO C=C(C)CC[N@H+](Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000681410677 543787789 /nfs/dbraw/zinc/78/77/89/543787789.db2.gz UPVFJWIXYBGHEV-AWEZNQCLSA-N 1 1 287.325 3.378 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+](CC)C[C@@H](CC)c1ccccc1 ZINC000681482033 543790245 /nfs/dbraw/zinc/79/02/45/543790245.db2.gz ZESPSJULCYLOCY-WBVHZDCISA-N 1 1 261.409 3.439 20 30 CGEDMO C=CC[N@H+](CCO[C@@H]1CC1(F)F)Cc1ccc(OC)cc1 ZINC000659849861 419011301 /nfs/dbraw/zinc/01/13/01/419011301.db2.gz TYKVLSQEWBZQQI-OAHLLOKOSA-N 1 1 297.345 3.107 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2cc(OC)no2)CCCC1(C)C ZINC000660423485 419141630 /nfs/dbraw/zinc/14/16/30/419141630.db2.gz RKYQZZPTAHPFFM-CYBMUJFWSA-N 1 1 264.369 3.250 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)C[C@H](OC)[C@H]1CCOC1 ZINC000660446976 419146573 /nfs/dbraw/zinc/14/65/73/419146573.db2.gz VSMXDDNKAODRSY-ROUUACIJSA-N 1 1 289.419 3.116 20 30 CGEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H]1COC(C)(C)C1 ZINC000660540487 419159601 /nfs/dbraw/zinc/15/96/01/419159601.db2.gz RDESFYPMOXGDFY-MRXNPFEDSA-N 1 1 291.439 3.410 20 30 CGEDMO C=CC[N@H+](Cc1cn2cc(Cl)ccc2n1)[C@H](C)COC ZINC000661246158 419243944 /nfs/dbraw/zinc/24/39/44/419243944.db2.gz FNZJUKQMRZFFCZ-GFCCVEGCSA-N 1 1 293.798 3.011 20 30 CGEDMO C=CC[N@@H+](Cc1cn2cc(Cl)ccc2n1)[C@H](C)COC ZINC000661246158 419243946 /nfs/dbraw/zinc/24/39/46/419243946.db2.gz FNZJUKQMRZFFCZ-GFCCVEGCSA-N 1 1 293.798 3.011 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@H](c2ccc(C)cc2)C2CC2)nn1 ZINC000657305239 419246241 /nfs/dbraw/zinc/24/62/41/419246241.db2.gz MBFXXBOMIKXODG-GOSISDBHSA-N 1 1 296.418 3.404 20 30 CGEDMO C=CC[N@@H+](CC(=O)NCCCc1ccccc1)C(C)(C)C ZINC000661755031 419294675 /nfs/dbraw/zinc/29/46/75/419294675.db2.gz GTPHTEAZMMYKIL-UHFFFAOYSA-N 1 1 288.435 3.022 20 30 CGEDMO C=CC[N@H+](CC(=O)N[C@@H](C)c1ccc(F)cc1)C(C)(C)C ZINC000661754889 419294794 /nfs/dbraw/zinc/29/47/94/419294794.db2.gz FMUNVXCVPRPXQB-ZDUSSCGKSA-N 1 1 292.398 3.289 20 30 CGEDMO C=CC[N@H+](Cc1ncc(C)c(OC)c1C)C(C)(C)C ZINC000661756311 419295321 /nfs/dbraw/zinc/29/53/21/419295321.db2.gz JPWUQYIAGXZNLA-UHFFFAOYSA-N 1 1 262.397 3.494 20 30 CGEDMO C=CC[N@H+](CC(=O)NCc1ccc(CC)s1)C(C)(C)C ZINC000661756434 419295332 /nfs/dbraw/zinc/29/53/32/419295332.db2.gz OUKNEHSBFARGPW-UHFFFAOYSA-N 1 1 294.464 3.213 20 30 CGEDMO C=CCC1([NH2+]Cc2noc(CCCC)n2)CCCC1 ZINC000661849026 419304897 /nfs/dbraw/zinc/30/48/97/419304897.db2.gz QOZYECVZOMFGCB-UHFFFAOYSA-N 1 1 263.385 3.391 20 30 CGEDMO N#Cc1ccc(F)c(C[NH+]2CCC3(CCCC3=O)CC2)c1 ZINC000661951727 419314970 /nfs/dbraw/zinc/31/49/70/419314970.db2.gz QXPWASRNDLFTPO-UHFFFAOYSA-N 1 1 286.350 3.033 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)cc2c1OCOC2 ZINC000662078070 419332969 /nfs/dbraw/zinc/33/29/69/419332969.db2.gz HIVSWEDDCUKYSG-IYBDPMFKSA-N 1 1 289.350 3.375 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1cccc(Cl)c1 ZINC000662079174 419333449 /nfs/dbraw/zinc/33/34/49/419333449.db2.gz HXDNDBFADPJLLF-GASCZTMLSA-N 1 1 290.794 3.462 20 30 CGEDMO N#CCC[NH+]1CCC(c2c[nH]c3ccc(F)cc32)CC1 ZINC000335956156 228169657 /nfs/dbraw/zinc/16/96/57/228169657.db2.gz CPEQGAXENUIFIN-UHFFFAOYSA-N 1 1 271.339 3.400 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccc(F)cc1 ZINC000662087533 419335077 /nfs/dbraw/zinc/33/50/77/419335077.db2.gz BTEOURWWHGYQNO-CALCHBBNSA-N 1 1 255.336 3.360 20 30 CGEDMO C[N@H+](CC#Cc1cccc(Cl)c1)CC1=CCSC1 ZINC000662267692 419380551 /nfs/dbraw/zinc/38/05/51/419380551.db2.gz HXUAVXWRGZWOKX-UHFFFAOYSA-N 1 1 277.820 3.297 20 30 CGEDMO C[N@@H+](CC#Cc1cccc(Cl)c1)CC1=CCSC1 ZINC000662267692 419380554 /nfs/dbraw/zinc/38/05/54/419380554.db2.gz HXUAVXWRGZWOKX-UHFFFAOYSA-N 1 1 277.820 3.297 20 30 CGEDMO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCN(CC)C1 ZINC000657841956 419383955 /nfs/dbraw/zinc/38/39/55/419383955.db2.gz RRJQDROTZYKUPF-XHSDSOJGSA-N 1 1 250.430 3.053 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccc(C(C)C)cc(=O)c1O ZINC000663828756 419733482 /nfs/dbraw/zinc/73/34/82/419733482.db2.gz DDAYFHNAAHNNHY-UHFFFAOYSA-N 1 1 275.392 3.274 20 30 CGEDMO CC(C)OC1CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC000537048154 288512867 /nfs/dbraw/zinc/51/28/67/288512867.db2.gz NXUVXFNFPJGJEA-UHFFFAOYSA-N 1 1 276.355 3.087 20 30 CGEDMO COc1ccc(F)cc1C[NH2+]Cc1cc(C#N)cs1 ZINC000189205313 269784199 /nfs/dbraw/zinc/78/41/99/269784199.db2.gz LZDYMFPWPOWFLT-UHFFFAOYSA-N 1 1 276.336 3.057 20 30 CGEDMO CC(=O)Nc1cccc(C[N@@H+](CCC#N)CCC(C)C)c1 ZINC000072691478 260277384 /nfs/dbraw/zinc/27/73/84/260277384.db2.gz IPMCAJWTCQEURN-UHFFFAOYSA-N 1 1 287.407 3.407 20 30 CGEDMO CC(=O)Nc1cccc(C[N@H+](CCC#N)CCC(C)C)c1 ZINC000072691478 260277385 /nfs/dbraw/zinc/27/73/85/260277385.db2.gz IPMCAJWTCQEURN-UHFFFAOYSA-N 1 1 287.407 3.407 20 30 CGEDMO CCCCC(N)=[NH+]OCc1ncc(-c2ccccc2)o1 ZINC000151258099 260979552 /nfs/dbraw/zinc/97/95/52/260979552.db2.gz KHCRVUOABJLENJ-UHFFFAOYSA-N 1 1 273.336 3.321 20 30 CGEDMO C[N@@H+](CCOc1ccccc1)CC(C)(C)CCC#N ZINC000154734502 261094806 /nfs/dbraw/zinc/09/48/06/261094806.db2.gz JTYVXXZXCGKYPK-UHFFFAOYSA-N 1 1 260.381 3.327 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccnn1-c1ccccc1 ZINC000448338664 261120771 /nfs/dbraw/zinc/12/07/71/261120771.db2.gz FBRKLBDMJQHZFA-UHFFFAOYSA-N 1 1 255.365 3.270 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCCC[C@H]2C[C@H](C)O)c1 ZINC000448363735 261127241 /nfs/dbraw/zinc/12/72/41/261127241.db2.gz DCBFIANFVPGREN-RDJZCZTQSA-N 1 1 289.419 3.377 20 30 CGEDMO CC#CCCCC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000464434591 261180720 /nfs/dbraw/zinc/18/07/20/261180720.db2.gz ALPMNDJMOXPMDE-WMZOPIPTSA-N 1 1 298.430 3.132 20 30 CGEDMO C=CC[N@@H+](C)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000497238706 262119823 /nfs/dbraw/zinc/11/98/23/262119823.db2.gz BGBHWSRTVRPMCI-AWEZNQCLSA-N 1 1 282.428 3.141 20 30 CGEDMO CC(C)(C#N)CCCC[N@@H+]1CCC[C@H]1CN1CCCC1 ZINC000364350426 262212694 /nfs/dbraw/zinc/21/26/94/262212694.db2.gz FLSKVMSKOQRNHP-INIZCTEOSA-N 1 1 277.456 3.267 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H]1CN1CCCC1 ZINC000364350426 262212696 /nfs/dbraw/zinc/21/26/96/262212696.db2.gz FLSKVMSKOQRNHP-INIZCTEOSA-N 1 1 277.456 3.267 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](SC)[C@@H](N2CCCC2)C1 ZINC000488318163 262311495 /nfs/dbraw/zinc/31/14/95/262311495.db2.gz UURBVQSDAULYAK-JKSUJKDBSA-N 1 1 282.497 3.244 20 30 CGEDMO C=CCCCCCN1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000488318163 262311497 /nfs/dbraw/zinc/31/14/97/262311497.db2.gz UURBVQSDAULYAK-JKSUJKDBSA-N 1 1 282.497 3.244 20 30 CGEDMO C=CCCC[N@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000117883159 262359922 /nfs/dbraw/zinc/35/99/22/262359922.db2.gz LRZSMHGRMFWRAC-QGZVFWFLSA-N 1 1 259.393 3.325 20 30 CGEDMO COC1CCC([N@@H+](C)CCCC(C)(C)C#N)CC1 ZINC000336731786 262386434 /nfs/dbraw/zinc/38/64/34/262386434.db2.gz RLOOSDSLBQUAON-UHFFFAOYSA-N 1 1 252.402 3.206 20 30 CGEDMO CC(C)N1CCC([N@H+](C)CCCC(C)(C)C#N)CC1 ZINC000336800628 262396784 /nfs/dbraw/zinc/39/67/84/262396784.db2.gz MYKMEOCFOIOING-UHFFFAOYSA-N 1 1 265.445 3.121 20 30 CGEDMO CC(C)N1CCC([N@@H+](C)CCCC(C)(C)C#N)CC1 ZINC000336800628 262396786 /nfs/dbraw/zinc/39/67/86/262396786.db2.gz MYKMEOCFOIOING-UHFFFAOYSA-N 1 1 265.445 3.121 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000336797481 262397101 /nfs/dbraw/zinc/39/71/01/262397101.db2.gz AJIGHTMCFXFIPH-HUUCEWRRSA-N 1 1 264.413 3.065 20 30 CGEDMO C=CCN(C)CC[N@@H+](CC)CCCc1ccsc1 ZINC000411643730 262702685 /nfs/dbraw/zinc/70/26/85/262702685.db2.gz PWBPQRSKXZWZGX-UHFFFAOYSA-N 1 1 266.454 3.120 20 30 CGEDMO CCCCCCCC(=O)N(C)CCCn1cc[nH+]c1C ZINC000269473579 262970249 /nfs/dbraw/zinc/97/02/49/262970249.db2.gz DFUUZHKBCUQBHH-UHFFFAOYSA-N 1 1 279.428 3.401 20 30 CGEDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)(C#N)CC1 ZINC000272480699 263005057 /nfs/dbraw/zinc/00/50/57/263005057.db2.gz AYYOSPDFMMYDTG-LBPRGKRZSA-N 1 1 273.336 3.281 20 30 CGEDMO CC[N@H+](Cc1c(F)cccc1F)[C@H](C)CCC#N ZINC000276273636 263035524 /nfs/dbraw/zinc/03/55/24/263035524.db2.gz DGMLNZDJWFXVTL-LLVKDONJSA-N 1 1 252.308 3.479 20 30 CGEDMO CC[N@@H+](Cc1c(F)cccc1F)[C@H](C)CCC#N ZINC000276273636 263035525 /nfs/dbraw/zinc/03/55/25/263035525.db2.gz DGMLNZDJWFXVTL-LLVKDONJSA-N 1 1 252.308 3.479 20 30 CGEDMO C[N@H+](Cc1nc2ccccc2s1)[C@H]1CC[C@H](C#N)C1 ZINC000278751039 263050770 /nfs/dbraw/zinc/05/07/70/263050770.db2.gz XCKPEJDGOHGOES-RYUDHWBXSA-N 1 1 271.389 3.420 20 30 CGEDMO C[N@@H+](Cc1nc2ccccc2s1)[C@H]1CC[C@H](C#N)C1 ZINC000278751039 263050771 /nfs/dbraw/zinc/05/07/71/263050771.db2.gz XCKPEJDGOHGOES-RYUDHWBXSA-N 1 1 271.389 3.420 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)CCc1ccnn1CC ZINC000284422771 263086799 /nfs/dbraw/zinc/08/67/99/263086799.db2.gz OUCVHKAFQXCLGT-UHFFFAOYSA-N 1 1 276.428 3.097 20 30 CGEDMO N#CCCCC[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000285921365 263096593 /nfs/dbraw/zinc/09/65/93/263096593.db2.gz LHJNHAHPWNKKBD-KURKYZTESA-N 1 1 284.403 3.185 20 30 CGEDMO CC[C@H]1CC[N@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000292891269 263136157 /nfs/dbraw/zinc/13/61/57/263136157.db2.gz YXABBJNOHWDHBM-HNNXBMFYSA-N 1 1 288.391 3.362 20 30 CGEDMO C[N@@H+](CCOc1ccccc1Cl)[C@H]1CC[C@@H](C#N)C1 ZINC000293389188 263139543 /nfs/dbraw/zinc/13/95/43/263139543.db2.gz GSGLQEBXECJMOF-OLZOCXBDSA-N 1 1 278.783 3.343 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](Nc3ccccc3)C2)C1 ZINC000293836477 263150435 /nfs/dbraw/zinc/15/04/35/263150435.db2.gz QESQVJMQQYXFJP-OIISXLGYSA-N 1 1 269.392 3.255 20 30 CGEDMO CC[N@H+](CCC#N)C[C@@H](C)c1cc(F)cc(F)c1 ZINC000294493490 263163017 /nfs/dbraw/zinc/16/30/17/263163017.db2.gz AAKXNAJDPNLORU-LLVKDONJSA-N 1 1 252.308 3.304 20 30 CGEDMO CC[N@@H+](CCC#N)C[C@@H](C)c1cc(F)cc(F)c1 ZINC000294493490 263163019 /nfs/dbraw/zinc/16/30/19/263163019.db2.gz AAKXNAJDPNLORU-LLVKDONJSA-N 1 1 252.308 3.304 20 30 CGEDMO Cc1cc(C(C)(C)[NH2+]CCC#N)ccc1Br ZINC000298479946 263220349 /nfs/dbraw/zinc/22/03/49/263220349.db2.gz SVTPOUUDGHQGCE-UHFFFAOYSA-N 1 1 281.197 3.496 20 30 CGEDMO CCCCCCCC(=O)NCCCn1cc[nH+]c1C ZINC000298950910 263227986 /nfs/dbraw/zinc/22/79/86/263227986.db2.gz IJGYRSNLVSTBBA-UHFFFAOYSA-N 1 1 265.401 3.058 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)Cc1ncc(C)cn1 ZINC000340685014 263290640 /nfs/dbraw/zinc/29/06/40/263290640.db2.gz RBFKEBNOOOVKQF-UHFFFAOYSA-N 1 1 267.376 3.016 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1ncc(C)cn1 ZINC000340685014 263290641 /nfs/dbraw/zinc/29/06/41/263290641.db2.gz RBFKEBNOOOVKQF-UHFFFAOYSA-N 1 1 267.376 3.016 20 30 CGEDMO C=CCCC[C@@H](C)[N@@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000340905313 263309334 /nfs/dbraw/zinc/30/93/34/263309334.db2.gz YJZLWFPYOIAZBN-CQSZACIVSA-N 1 1 295.448 3.267 20 30 CGEDMO C=C(CC)C[N@@H+](Cc1ccccc1)CC1(CO)CC1 ZINC000341978227 263368642 /nfs/dbraw/zinc/36/86/42/263368642.db2.gz VZSUMKDTZVSTKO-UHFFFAOYSA-N 1 1 259.393 3.227 20 30 CGEDMO COCC1(C#N)CC[NH+]([C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000341975017 263369086 /nfs/dbraw/zinc/36/90/86/263369086.db2.gz IUWAVDJBEOBSGV-GFCCVEGCSA-N 1 1 294.345 3.278 20 30 CGEDMO C=C1CC[NH+](CC(=O)N[C@@H](CCC)c2ccccc2)CC1 ZINC000341992393 263382269 /nfs/dbraw/zinc/38/22/69/263382269.db2.gz IXOZQQPNJIJMSL-KRWDZBQOSA-N 1 1 286.419 3.296 20 30 CGEDMO C=CCOc1ccccc1CN[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000161498905 264286973 /nfs/dbraw/zinc/28/69/73/264286973.db2.gz QTSXYPRWUFRFSS-NVXWUHKLSA-N 1 1 288.435 3.071 20 30 CGEDMO C=CC[N@H+](CCCCOC)Cc1ccccc1F ZINC000074351474 264305203 /nfs/dbraw/zinc/30/52/03/264305203.db2.gz BZJWQBJXPHBQHW-UHFFFAOYSA-N 1 1 251.345 3.240 20 30 CGEDMO C=CCc1cc(C[N@@H+](C)[C@@H]2CCSC2)cc(OC)c1O ZINC000130534107 264352641 /nfs/dbraw/zinc/35/26/41/264352641.db2.gz YMIAQYGPFNVZRN-CQSZACIVSA-N 1 1 293.432 3.067 20 30 CGEDMO C#CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1nc(C(C)C)no1 ZINC000285134473 264554636 /nfs/dbraw/zinc/55/46/36/264554636.db2.gz ODJQVLFOYSUYDK-HOCLYGCPSA-N 1 1 297.402 3.478 20 30 CGEDMO C=CCOc1ccc(C[NH2+][C@H](C)c2cc(C)n(C)n2)cc1 ZINC000294075807 265005270 /nfs/dbraw/zinc/00/52/70/265005270.db2.gz ICXKRBWGLKLQPZ-CQSZACIVSA-N 1 1 285.391 3.144 20 30 CGEDMO Cc1ccccc1C[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000042268101 270032295 /nfs/dbraw/zinc/03/22/95/270032295.db2.gz DAUYICKODCSFGC-UHFFFAOYSA-N 1 1 280.371 3.378 20 30 CGEDMO N#CC1(CCC[N@H+]2CCC[C@H]2c2cccnc2)CCOCC1 ZINC000346980335 265123633 /nfs/dbraw/zinc/12/36/33/265123633.db2.gz VMUBEVHSYIYYML-KRWDZBQOSA-N 1 1 299.418 3.319 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)[C@H](C)CC)cc1OC ZINC000179324073 265755526 /nfs/dbraw/zinc/75/55/26/265755526.db2.gz XLFWGUKZLSSWCC-CYBMUJFWSA-N 1 1 263.381 3.490 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1nc2c(s1)C[C@H](C)CC2 ZINC000353167581 266035559 /nfs/dbraw/zinc/03/55/59/266035559.db2.gz YXBHHAZGBXABKN-LLVKDONJSA-N 1 1 250.411 3.276 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1nc2c(s1)C[C@H](C)CC2 ZINC000353167581 266035561 /nfs/dbraw/zinc/03/55/61/266035561.db2.gz YXBHHAZGBXABKN-LLVKDONJSA-N 1 1 250.411 3.276 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000297775784 266050830 /nfs/dbraw/zinc/05/08/30/266050830.db2.gz GJAIQYKYAWUTRC-IAGOWNOFSA-N 1 1 267.376 3.463 20 30 CGEDMO C[C@@H](CC#N)[N@H+](C)CCc1ccc(F)cc1Cl ZINC000356217136 266073861 /nfs/dbraw/zinc/07/38/61/266073861.db2.gz DQWMZOQVKVTLRG-JTQLQIEISA-N 1 1 254.736 3.256 20 30 CGEDMO C[C@@H](CC#N)[N@@H+](C)CCc1ccc(F)cc1Cl ZINC000356217136 266073864 /nfs/dbraw/zinc/07/38/64/266073864.db2.gz DQWMZOQVKVTLRG-JTQLQIEISA-N 1 1 254.736 3.256 20 30 CGEDMO CC(C)(C)Oc1cccc(C[NH+]2CCC(C)(C#N)CC2)n1 ZINC000356451221 266117121 /nfs/dbraw/zinc/11/71/21/266117121.db2.gz GIUCPYWHWMRTEX-UHFFFAOYSA-N 1 1 287.407 3.385 20 30 CGEDMO C=CC[N@H+](CCC(=O)Nc1cccc(F)c1C)C1CC1 ZINC000357524029 266315690 /nfs/dbraw/zinc/31/56/90/266315690.db2.gz AICLEGFMYLTDFA-UHFFFAOYSA-N 1 1 276.355 3.113 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000357802463 266366309 /nfs/dbraw/zinc/36/63/09/266366309.db2.gz VLIZZUKUMBXSFW-OAHLLOKOSA-N 1 1 255.365 3.249 20 30 CGEDMO Cc1cc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)ccn1 ZINC000527540725 270129827 /nfs/dbraw/zinc/12/98/27/270129827.db2.gz VNXZSDNEVYVAQE-AWEZNQCLSA-N 1 1 265.360 3.455 20 30 CGEDMO N#Cc1cccc(CNC[C@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000527752052 270134574 /nfs/dbraw/zinc/13/45/74/270134574.db2.gz LOFCDCCABRLNAD-GOSISDBHSA-N 1 1 283.419 3.055 20 30 CGEDMO N#Cc1cccc(CNC[C@H]2CC[N@H+]2C2CCCCC2)c1 ZINC000527752052 270134575 /nfs/dbraw/zinc/13/45/75/270134575.db2.gz LOFCDCCABRLNAD-GOSISDBHSA-N 1 1 283.419 3.055 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1cccnc1OC ZINC000362933685 267063011 /nfs/dbraw/zinc/06/30/11/267063011.db2.gz GMNIFINKTLCHFS-UHFFFAOYSA-N 1 1 282.387 3.321 20 30 CGEDMO N#CCCCC[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000369803573 267267774 /nfs/dbraw/zinc/26/77/74/267267774.db2.gz MWQLUAWEYWTUMO-IRXDYDNUSA-N 1 1 267.376 3.452 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000370494599 267323787 /nfs/dbraw/zinc/32/37/87/267323787.db2.gz HAIJCDUOAKCNQF-BBRMVZONSA-N 1 1 281.346 3.429 20 30 CGEDMO CO[C@H]1CCC[N@@H+](CCCCC(C)(C)C#N)CC1 ZINC000370501521 267324918 /nfs/dbraw/zinc/32/49/18/267324918.db2.gz XTHHUSBTCVVEIC-AWEZNQCLSA-N 1 1 252.402 3.207 20 30 CGEDMO Cc1ccc([C@H]2CC[N@@H+](CCCSCC#N)C2)cc1 ZINC000371749316 267456945 /nfs/dbraw/zinc/45/69/45/267456945.db2.gz YWWIRZAQNZEHOG-INIZCTEOSA-N 1 1 274.433 3.431 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@H](OC)CC2)c1 ZINC000377244397 268059125 /nfs/dbraw/zinc/05/91/25/268059125.db2.gz LJJCBSXQOQDBAB-INIZCTEOSA-N 1 1 275.392 3.252 20 30 CGEDMO Cc1cnc(C2CC[NH+](Cc3ccc(C#N)cn3)CC2)s1 ZINC000521894105 268070579 /nfs/dbraw/zinc/07/05/79/268070579.db2.gz ISXOGBRJKUOOMF-UHFFFAOYSA-N 1 1 298.415 3.098 20 30 CGEDMO C#CC[N@@H+](CC)[C@H](C)C(=O)Nc1ccccc1C(C)C ZINC000266904271 275381241 /nfs/dbraw/zinc/38/12/41/275381241.db2.gz HGJBUEZZBOVHOH-CQSZACIVSA-N 1 1 272.392 3.092 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)C(=O)Nc1ccccc1C(C)C ZINC000266904271 275381242 /nfs/dbraw/zinc/38/12/42/275381242.db2.gz HGJBUEZZBOVHOH-CQSZACIVSA-N 1 1 272.392 3.092 20 30 CGEDMO CCOC[C@@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000313481011 276330634 /nfs/dbraw/zinc/33/06/34/276330634.db2.gz HQKPOXZBPGZUDK-HNNXBMFYSA-N 1 1 276.355 3.088 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000121210356 278306065 /nfs/dbraw/zinc/30/60/65/278306065.db2.gz BVESDDUGBNVLOV-DYVFJYSZSA-N 1 1 282.343 3.286 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000121210356 278306066 /nfs/dbraw/zinc/30/60/66/278306066.db2.gz BVESDDUGBNVLOV-DYVFJYSZSA-N 1 1 282.343 3.286 20 30 CGEDMO C[C@H](c1ccco1)[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000268659694 278314078 /nfs/dbraw/zinc/31/40/78/278314078.db2.gz ITMPQQVXOUYRNG-CXAGYDPISA-N 1 1 296.370 3.410 20 30 CGEDMO C[C@@H]([NH2+]C1CC(N2CCCCC2)C1)c1ccc(C#N)cc1 ZINC000373524766 278333468 /nfs/dbraw/zinc/33/34/68/278333468.db2.gz UYBUGPVFDSPWQU-RWBZWWBESA-N 1 1 283.419 3.226 20 30 CGEDMO C[C@@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1ccc(C#N)cc1 ZINC000271889099 278371795 /nfs/dbraw/zinc/37/17/95/278371795.db2.gz RLLSYMDUVIJZBM-IAQYHMDHSA-N 1 1 266.348 3.010 20 30 CGEDMO C[C@@H](O)C[N@@H+](Cc1ccc(C#N)cc1)C1CCCCC1 ZINC000263795407 278394388 /nfs/dbraw/zinc/39/43/88/278394388.db2.gz RURJDKJFZALAEV-CQSZACIVSA-N 1 1 272.392 3.074 20 30 CGEDMO C[C@@]1(CCCO)CCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000272073837 279157453 /nfs/dbraw/zinc/15/74/53/279157453.db2.gz ZUSIPCHYRAMWFQ-KRWDZBQOSA-N 1 1 291.822 3.319 20 30 CGEDMO CC[C@H](c1ccccc1OC)[N@H+](C)CC1(C#N)CC1 ZINC000347561182 288168611 /nfs/dbraw/zinc/16/86/11/288168611.db2.gz MRZLUTIVBBZLMZ-CQSZACIVSA-N 1 1 258.365 3.382 20 30 CGEDMO CC[C@H](c1ccccc1OC)[N@@H+](C)CC1(C#N)CC1 ZINC000347561182 288168614 /nfs/dbraw/zinc/16/86/14/288168614.db2.gz MRZLUTIVBBZLMZ-CQSZACIVSA-N 1 1 258.365 3.382 20 30 CGEDMO C[C@H]1SCC[N@H+](Cc2cccc(C#N)c2F)[C@H]1C ZINC000300239700 280090930 /nfs/dbraw/zinc/09/09/30/280090930.db2.gz CTALSFLEXGMIGH-WDEREUQCSA-N 1 1 264.369 3.023 20 30 CGEDMO C[C@H]1SCC[N@@H+](Cc2cccc(C#N)c2F)[C@H]1C ZINC000300239700 280090931 /nfs/dbraw/zinc/09/09/31/280090931.db2.gz CTALSFLEXGMIGH-WDEREUQCSA-N 1 1 264.369 3.023 20 30 CGEDMO Cc1cccc2c1C[N@@H+](Cc1ccc(C#N)cc1)CC2 ZINC000429563715 281274854 /nfs/dbraw/zinc/27/48/54/281274854.db2.gz YWSRFIYEEDJQRG-UHFFFAOYSA-N 1 1 262.356 3.425 20 30 CGEDMO C[C@H](C#N)C[N@H+](C[C@@H](C)CC1CCOCC1)C1CC1 ZINC000349961053 289238867 /nfs/dbraw/zinc/23/88/67/289238867.db2.gz BAZQPPDUZRRWKS-UONOGXRCSA-N 1 1 264.413 3.063 20 30 CGEDMO CCCC[N@@H+](C)C[C@@H](C)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000554992180 289322505 /nfs/dbraw/zinc/32/25/05/289322505.db2.gz ZLKIFIJWSYGKQM-ZIAGYGMSSA-N 1 1 291.414 3.468 20 30 CGEDMO CCCCN(C)C[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000554992180 289322506 /nfs/dbraw/zinc/32/25/06/289322506.db2.gz ZLKIFIJWSYGKQM-ZIAGYGMSSA-N 1 1 291.414 3.468 20 30 CGEDMO C[NH+](C)C1(CN[C@@H]2CCc3ccc(C#N)cc32)CCCCC1 ZINC000554996778 289322701 /nfs/dbraw/zinc/32/27/01/289322701.db2.gz CYQPPSZPJUUNJS-GOSISDBHSA-N 1 1 297.446 3.400 20 30 CGEDMO C[C@@H](O)C[N@@H+](Cc1ccccc1)CC(C)(C)CCC#N ZINC000534345645 328047251 /nfs/dbraw/zinc/04/72/51/328047251.db2.gz CUXXBIHIQHPEKV-OAHLLOKOSA-N 1 1 274.408 3.199 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000412060082 328101781 /nfs/dbraw/zinc/10/17/81/328101781.db2.gz DUJPXQRAXJAUIS-OAHLLOKOSA-N 1 1 279.424 3.234 20 30 CGEDMO C=CC[N@H+](CCc1c(C)noc1C)Cc1cccc(C#N)c1 ZINC000165050135 328104491 /nfs/dbraw/zinc/10/44/91/328104491.db2.gz KINVJQHSLJNJSD-UHFFFAOYSA-N 1 1 295.386 3.394 20 30 CGEDMO N#CCCCC[N@@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000292939872 328273990 /nfs/dbraw/zinc/27/39/90/328273990.db2.gz DDFFPGANZSUTNF-HNNXBMFYSA-N 1 1 278.783 3.487 20 30 CGEDMO Cc1cc(C[NH2+][C@H](C)c2cscn2)ccc1C#N ZINC000565432558 322077919 /nfs/dbraw/zinc/07/79/19/322077919.db2.gz OMURNGZXLYCJMX-LLVKDONJSA-N 1 1 257.362 3.174 20 30 CGEDMO CC[N@@H+](Cc1ncccc1O)[C@@H](C)c1ccc(C#N)cc1 ZINC000565507037 322080172 /nfs/dbraw/zinc/08/01/72/322080172.db2.gz CMVYNEYBPJACSD-ZDUSSCGKSA-N 1 1 281.359 3.242 20 30 CGEDMO C[C@H](C1CCCCC1)[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000567093966 322150273 /nfs/dbraw/zinc/15/02/73/322150273.db2.gz XTWNLYCPCADCCW-CQSZACIVSA-N 1 1 299.418 3.397 20 30 CGEDMO CCCCC[C@H]1CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000567246632 322155954 /nfs/dbraw/zinc/15/59/54/322155954.db2.gz PJJYSDNWLFGAIF-INIZCTEOSA-N 1 1 257.381 3.498 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCSc2cc(C#N)ccn2)C1 ZINC000567522431 322166845 /nfs/dbraw/zinc/16/68/45/322166845.db2.gz QAEHYMKZJXTDNQ-BETUJISGSA-N 1 1 275.421 3.023 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000567986728 322186871 /nfs/dbraw/zinc/18/68/71/322186871.db2.gz BSNFZDUALNJRMP-OALUTQOASA-N 1 1 296.414 3.198 20 30 CGEDMO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1ccc(C#N)cn1 ZINC000572375169 322334043 /nfs/dbraw/zinc/33/40/43/322334043.db2.gz JJVRZJZEFSLZIQ-WMLDXEAASA-N 1 1 277.371 3.331 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)nc1 ZINC000572460958 322338234 /nfs/dbraw/zinc/33/82/34/322338234.db2.gz XRIINXQBKMCXMJ-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)nc1 ZINC000572460958 322338236 /nfs/dbraw/zinc/33/82/36/322338236.db2.gz XRIINXQBKMCXMJ-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2C2CCCCC2)nc1 ZINC000572942016 322362401 /nfs/dbraw/zinc/36/24/01/322362401.db2.gz JZMVNPUTQLXLNJ-KRWDZBQOSA-N 1 1 269.392 3.498 20 30 CGEDMO Cc1ccnc([C@@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)c1 ZINC000573016140 322366466 /nfs/dbraw/zinc/36/64/66/322366466.db2.gz IRFTTZZAPSHEAM-OAHLLOKOSA-N 1 1 295.361 3.390 20 30 CGEDMO C#CC[N@@H+](CC)Cc1cc(-c2ccc(C)cc2)no1 ZINC000746457487 572871600 /nfs/dbraw/zinc/87/16/00/572871600.db2.gz FKCOLLBKLAMTRF-UHFFFAOYSA-N 1 1 254.333 3.105 20 30 CGEDMO C#CC[N@H+](CC)Cc1cc(-c2ccc(C)cc2)no1 ZINC000746457487 572871604 /nfs/dbraw/zinc/87/16/04/572871604.db2.gz FKCOLLBKLAMTRF-UHFFFAOYSA-N 1 1 254.333 3.105 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000255869403 327023391 /nfs/dbraw/zinc/02/33/91/327023391.db2.gz FORCVZJOLAKBBZ-HOTGVXAUSA-N 1 1 288.435 3.193 20 30 CGEDMO C=CC[N@@H+](CCCSCC#N)Cc1ccccc1 ZINC000074980922 327122535 /nfs/dbraw/zinc/12/25/35/327122535.db2.gz PRRRIENOAWFHRL-UHFFFAOYSA-N 1 1 260.406 3.321 20 30 CGEDMO C[N@@H+](CCCSCC#N)CCCc1ccccc1 ZINC000074981659 327122941 /nfs/dbraw/zinc/12/29/41/327122941.db2.gz DQYUDXBGDGNZOW-UHFFFAOYSA-N 1 1 262.422 3.198 20 30 CGEDMO Cc1nc(C[NH+]2CCC(CCC#N)CC2)nc2ccccc12 ZINC000564915718 327141809 /nfs/dbraw/zinc/14/18/09/327141809.db2.gz BFYXYQZQADRIOD-UHFFFAOYSA-N 1 1 294.402 3.454 20 30 CGEDMO C=CCOCC[N@H+]1CC[C@](F)(c2cc(C)cc(F)c2)C1 ZINC000559187810 327145335 /nfs/dbraw/zinc/14/53/35/327145335.db2.gz XANSILCBMJPKPP-MRXNPFEDSA-N 1 1 281.346 3.207 20 30 CGEDMO C=CCOCC[N@@H+]1CC[C@](F)(c2cc(C)cc(F)c2)C1 ZINC000559187810 327145336 /nfs/dbraw/zinc/14/53/36/327145336.db2.gz XANSILCBMJPKPP-MRXNPFEDSA-N 1 1 281.346 3.207 20 30 CGEDMO CC#CC[N@@H+](C)CCc1cccc(OC(F)(F)F)c1 ZINC000559459713 327246382 /nfs/dbraw/zinc/24/63/82/327246382.db2.gz YDXHRORJIHDIGW-UHFFFAOYSA-N 1 1 271.282 3.083 20 30 CGEDMO C=CC[N@@H+]1CCN(c2cccc(Cl)c2)C[C@@H]1C ZINC000559637741 327255871 /nfs/dbraw/zinc/25/58/71/327255871.db2.gz ZLVSUMPQFYWXLR-LBPRGKRZSA-N 1 1 250.773 3.037 20 30 CGEDMO CC(C)(CC#N)CNc1[nH+]ccc2cc(F)ccc21 ZINC000579466577 327376134 /nfs/dbraw/zinc/37/61/34/327376134.db2.gz HNQOITFDXDEHDX-UHFFFAOYSA-N 1 1 257.312 3.148 20 30 CGEDMO C=CCCCCC[N@H+](C)CCc1nc2ccccc2c(=O)[nH]1 ZINC000150889319 327394963 /nfs/dbraw/zinc/39/49/63/327394963.db2.gz WYIWNRQFIKNXJG-UHFFFAOYSA-N 1 1 299.418 3.144 20 30 CGEDMO N#CCC[N@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000378640969 329057721 /nfs/dbraw/zinc/05/77/21/329057721.db2.gz CCQBFMFEHIJHFY-GFCCVEGCSA-N 1 1 268.282 3.408 20 30 CGEDMO N#CCC[N@@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000378640969 329057723 /nfs/dbraw/zinc/05/77/23/329057723.db2.gz CCQBFMFEHIJHFY-GFCCVEGCSA-N 1 1 268.282 3.408 20 30 CGEDMO COc1ccc(C[NH2+]CC(C)(C)C#N)cc1Br ZINC000168941074 329062336 /nfs/dbraw/zinc/06/23/36/329062336.db2.gz LALVSVFKOBDICM-UHFFFAOYSA-N 1 1 297.196 3.097 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H]1CN1CCCCC1 ZINC000174844245 329164016 /nfs/dbraw/zinc/16/40/16/329164016.db2.gz XGHCCMKVSVRPMP-INIZCTEOSA-N 1 1 277.456 3.267 20 30 CGEDMO CC(C)(C#N)CCCN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000174844245 329164017 /nfs/dbraw/zinc/16/40/17/329164017.db2.gz XGHCCMKVSVRPMP-INIZCTEOSA-N 1 1 277.456 3.267 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)[C@@H](C)COC)cc1Cl ZINC000179366014 329204631 /nfs/dbraw/zinc/20/46/31/329204631.db2.gz SEWFBHJTWKYMKF-LBPRGKRZSA-N 1 1 283.799 3.372 20 30 CGEDMO C=CCC[C@H]([NH2+]C1CCN(C(C)C)CC1)C1CC1 ZINC000180403308 329216056 /nfs/dbraw/zinc/21/60/56/329216056.db2.gz XKOGNWVQEBKYAN-INIZCTEOSA-N 1 1 250.430 3.194 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000181049192 329225475 /nfs/dbraw/zinc/22/54/75/329225475.db2.gz GFXKTDULTFADBZ-UHFFFAOYSA-N 1 1 271.364 3.093 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1SC ZINC000181264844 329228365 /nfs/dbraw/zinc/22/83/65/329228365.db2.gz PCSWOIUBXIHUJS-GFCCVEGCSA-N 1 1 278.421 3.243 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1ccccc1SC ZINC000181264844 329228366 /nfs/dbraw/zinc/22/83/66/329228366.db2.gz PCSWOIUBXIHUJS-GFCCVEGCSA-N 1 1 278.421 3.243 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000181271316 329228827 /nfs/dbraw/zinc/22/88/27/329228827.db2.gz RHXNXQNGKZGVIN-KRWDZBQOSA-N 1 1 286.419 3.248 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000181271316 329228828 /nfs/dbraw/zinc/22/88/28/329228828.db2.gz RHXNXQNGKZGVIN-KRWDZBQOSA-N 1 1 286.419 3.248 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1nc2ccccc2n1C(F)F ZINC000181286159 329229612 /nfs/dbraw/zinc/22/96/12/329229612.db2.gz BEBZFPKNNDGCCG-UHFFFAOYSA-N 1 1 265.307 3.439 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1nc2ccccc2n1C(F)F ZINC000181286159 329229614 /nfs/dbraw/zinc/22/96/14/329229614.db2.gz BEBZFPKNNDGCCG-UHFFFAOYSA-N 1 1 265.307 3.439 20 30 CGEDMO C=C(C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000183042367 329246461 /nfs/dbraw/zinc/24/64/61/329246461.db2.gz YNTXSRVXEVNXJJ-KRWDZBQOSA-N 1 1 286.419 3.076 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000184455397 329258203 /nfs/dbraw/zinc/25/82/03/329258203.db2.gz SMGAYGNZJQDRCU-AWEZNQCLSA-N 1 1 253.386 3.006 20 30 CGEDMO N#CCCCC[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000185329738 329272918 /nfs/dbraw/zinc/27/29/18/329272918.db2.gz BMUVLQSNMXLTIF-LBPRGKRZSA-N 1 1 264.319 3.448 20 30 CGEDMO CCCC[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C1CC1 ZINC000583028780 329304613 /nfs/dbraw/zinc/30/46/13/329304613.db2.gz VGPKSGOIRNEWGD-UHFFFAOYSA-N 1 1 273.336 3.231 20 30 CGEDMO C=CCC1(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCC1 ZINC000188774911 329373028 /nfs/dbraw/zinc/37/30/28/329373028.db2.gz QQERREMTOXECRF-IYBDPMFKSA-N 1 1 292.467 3.217 20 30 CGEDMO Cc1nc([C@H]2CCC[N@H+]2CCCSCC#N)cs1 ZINC000189853196 329389616 /nfs/dbraw/zinc/38/96/16/329389616.db2.gz KEPULWWJDLAGLJ-CYBMUJFWSA-N 1 1 281.450 3.235 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H]1CC[C@@H](C)O1 ZINC000190418742 329396587 /nfs/dbraw/zinc/39/65/87/329396587.db2.gz DVHYSKVAORKILM-PBHICJAKSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CCC1(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC000421713282 330069368 /nfs/dbraw/zinc/06/93/68/330069368.db2.gz SJJSXLZCBDKBMT-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000274787019 330107644 /nfs/dbraw/zinc/10/76/44/330107644.db2.gz MPIFFHTUQPZDRV-OAHLLOKOSA-N 1 1 287.407 3.007 20 30 CGEDMO C=CC[C@@H]1[N@H+](Cc2nc([C@@H](C)OC)no2)CCCC1(C)C ZINC000277702380 330117046 /nfs/dbraw/zinc/11/70/46/330117046.db2.gz HVFJBBHUQZGKFW-OLZOCXBDSA-N 1 1 293.411 3.344 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2nc([C@@H](C)OC)no2)CCCC1(C)C ZINC000277702380 330117047 /nfs/dbraw/zinc/11/70/47/330117047.db2.gz HVFJBBHUQZGKFW-OLZOCXBDSA-N 1 1 293.411 3.344 20 30 CGEDMO C=CCCC[N@@H+](C)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000532977946 330323631 /nfs/dbraw/zinc/32/36/31/330323631.db2.gz XKJIQSXZASVGPB-UHFFFAOYSA-N 1 1 291.782 3.387 20 30 CGEDMO C=CCCC[N@H+](C)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000532977946 330323632 /nfs/dbraw/zinc/32/36/32/330323632.db2.gz XKJIQSXZASVGPB-UHFFFAOYSA-N 1 1 291.782 3.387 20 30 CGEDMO C=CCn1cc(C[NH2+][C@H](CC)c2cccc(Cl)c2)nn1 ZINC000424298889 330336757 /nfs/dbraw/zinc/33/67/57/330336757.db2.gz UJLOHKQUHRSEIE-OAHLLOKOSA-N 1 1 290.798 3.358 20 30 CGEDMO C=CCn1cc(C[NH2+][C@@H](CC)c2cccc(Cl)c2)nn1 ZINC000424298888 330336778 /nfs/dbraw/zinc/33/67/78/330336778.db2.gz UJLOHKQUHRSEIE-HNNXBMFYSA-N 1 1 290.798 3.358 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)CC1CCCCC1 ZINC000533222611 330353575 /nfs/dbraw/zinc/35/35/75/330353575.db2.gz IGTHXGVEKRWHFY-HNNXBMFYSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(CC)C[N@@H+]1CC[C@@H](CN(CC)CC(F)(F)F)C1 ZINC000536892582 330363420 /nfs/dbraw/zinc/36/34/20/330363420.db2.gz GCEZRTXQINXNDI-ZDUSSCGKSA-N 1 1 278.362 3.159 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)Nc1ccccc1Cl ZINC000117870788 330366200 /nfs/dbraw/zinc/36/62/00/330366200.db2.gz QWHOGSCEFCYXEC-UHFFFAOYSA-N 1 1 266.772 3.177 20 30 CGEDMO C[N@@H+](CC#Cc1cccc(Cl)c1)[C@H]1CCSC1 ZINC000089938931 330388888 /nfs/dbraw/zinc/38/88/88/330388888.db2.gz PGJFEKCCHSDWMI-AWEZNQCLSA-N 1 1 265.809 3.129 20 30 CGEDMO C=CC[N@@H+](C)[C@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000121223028 330398049 /nfs/dbraw/zinc/39/80/49/330398049.db2.gz GANCPNKFQDEJJK-GFCCVEGCSA-N 1 1 257.337 3.224 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000121223028 330398050 /nfs/dbraw/zinc/39/80/50/330398050.db2.gz GANCPNKFQDEJJK-GFCCVEGCSA-N 1 1 257.337 3.224 20 30 CGEDMO C=CCOc1ccc(C[NH2+]Cc2cnc(CC)o2)cc1 ZINC000449607412 330939242 /nfs/dbraw/zinc/93/92/42/330939242.db2.gz ASBRCCURWDWGOG-UHFFFAOYSA-N 1 1 272.348 3.092 20 30 CGEDMO C=C(CC)C[NH2+][C@@H](c1nccn1C)c1cccc(F)c1 ZINC000449732264 330946308 /nfs/dbraw/zinc/94/63/08/330946308.db2.gz AQXHCDRFMHAZCH-OAHLLOKOSA-N 1 1 273.355 3.204 20 30 CGEDMO Cc1ccc([C@H](C)[NH2+]CC2(C#N)CCC2)cc1[N+](=O)[O-] ZINC000450690359 330993926 /nfs/dbraw/zinc/99/39/26/330993926.db2.gz ZAQSOTUWPNQGDL-LBPRGKRZSA-N 1 1 273.336 3.248 20 30 CGEDMO C[C@@H]1CCC(C)(C)[N@H+]1CCCC1(C#N)CCOCC1 ZINC000452005404 331049950 /nfs/dbraw/zinc/04/99/50/331049950.db2.gz JTOGNDOUKQHJSU-CQSZACIVSA-N 1 1 264.413 3.350 20 30 CGEDMO CC(C)(C)OC(=O)[C@@]1(C)CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000453627967 331137361 /nfs/dbraw/zinc/13/73/61/331137361.db2.gz WRSBYMNYIKEXFM-KRWDZBQOSA-N 1 1 294.439 3.370 20 30 CGEDMO CC(C)C[N@@H+](CC#Cc1ccc(F)cc1)Cc1cnn(C)c1 ZINC000459601357 331290113 /nfs/dbraw/zinc/29/01/13/331290113.db2.gz XKBQSEXNBONKOD-UHFFFAOYSA-N 1 1 299.393 3.069 20 30 CGEDMO CC#CCC[N@@H+](CCOC)Cc1ccc(F)cc1Cl ZINC000462312538 331319201 /nfs/dbraw/zinc/31/92/01/331319201.db2.gz KHNOPKVHPRYEBB-UHFFFAOYSA-N 1 1 283.774 3.341 20 30 CGEDMO CC#CCC[N@H+](CCOC)Cc1ccc(F)cc1Cl ZINC000462312538 331319202 /nfs/dbraw/zinc/31/92/02/331319202.db2.gz KHNOPKVHPRYEBB-UHFFFAOYSA-N 1 1 283.774 3.341 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000489035403 332038731 /nfs/dbraw/zinc/03/87/31/332038731.db2.gz DBJFUVNETMIKMM-STQMWFEESA-N 1 1 279.346 3.368 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CCC(=O)NCC1CCCCC1 ZINC000489443374 332052910 /nfs/dbraw/zinc/05/29/10/332052910.db2.gz XOHQTSWVCRITQY-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cc(C(=O)OC)ccc1F ZINC000489447037 332052954 /nfs/dbraw/zinc/05/29/54/332052954.db2.gz JLQTVUDYIRAKRY-CQSZACIVSA-N 1 1 277.339 3.153 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(C(=O)OC)ccc1F ZINC000489447037 332052955 /nfs/dbraw/zinc/05/29/55/332052955.db2.gz JLQTVUDYIRAKRY-CQSZACIVSA-N 1 1 277.339 3.153 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(C)cc1C ZINC000489450395 332053566 /nfs/dbraw/zinc/05/35/66/332053566.db2.gz QCOPFTNSYOCYMR-IAGOWNOFSA-N 1 1 289.419 3.084 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCCc2ccccc21 ZINC000489490255 332056123 /nfs/dbraw/zinc/05/61/23/332056123.db2.gz CDHMLIIBRIBHIS-MRXNPFEDSA-N 1 1 284.403 3.006 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)N1CCCc2ccccc21 ZINC000489490255 332056125 /nfs/dbraw/zinc/05/61/25/332056125.db2.gz CDHMLIIBRIBHIS-MRXNPFEDSA-N 1 1 284.403 3.006 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000489496844 332056733 /nfs/dbraw/zinc/05/67/33/332056733.db2.gz MDCNMZTTYPUKGD-ZDUSSCGKSA-N 1 1 276.336 3.014 20 30 CGEDMO CC#CCC[N@H+](CCC)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490036854 332077771 /nfs/dbraw/zinc/07/77/71/332077771.db2.gz XATFPAMUZYTREV-INIZCTEOSA-N 1 1 286.419 3.447 20 30 CGEDMO Clc1ccccc1C#CC[N@H+]1CC[C@H](C2CC2)C1 ZINC000491141008 332154857 /nfs/dbraw/zinc/15/48/57/332154857.db2.gz UUXCSNIPMHJNNH-HNNXBMFYSA-N 1 1 259.780 3.423 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1ccc(CC)nc1)c1ccc(F)cc1 ZINC000491497404 332223862 /nfs/dbraw/zinc/22/38/62/332223862.db2.gz XXLLONKZMIZERR-QGZVFWFLSA-N 1 1 268.335 3.247 20 30 CGEDMO C#C[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccc(F)cc1 ZINC000491679706 332283619 /nfs/dbraw/zinc/28/36/19/332283619.db2.gz GGPOQKXVHKJGPM-INIZCTEOSA-N 1 1 297.329 3.061 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](CCC)CCc1cccs1 ZINC000184514296 333129569 /nfs/dbraw/zinc/12/95/69/333129569.db2.gz YQKGBRIRSNIBMB-AWEZNQCLSA-N 1 1 267.438 3.330 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H]1CC(C)(C)C ZINC000521928541 333223870 /nfs/dbraw/zinc/22/38/70/333223870.db2.gz XUXDEFFZPLZQAQ-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000523760334 333344347 /nfs/dbraw/zinc/34/43/47/333344347.db2.gz QDLNEQVRXDFMHL-AEFFLSMTSA-N 1 1 298.430 3.065 20 30 CGEDMO CC#CC[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000525119999 333399174 /nfs/dbraw/zinc/39/91/74/333399174.db2.gz KCWSEGXIYLDFIC-UHFFFAOYSA-N 1 1 257.255 3.040 20 30 CGEDMO CC#CC[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000525119999 333399175 /nfs/dbraw/zinc/39/91/75/333399175.db2.gz KCWSEGXIYLDFIC-UHFFFAOYSA-N 1 1 257.255 3.040 20 30 CGEDMO Cc1c(C[NH2+]Cc2ccc(C#N)o2)oc2ccccc12 ZINC000174398759 335153694 /nfs/dbraw/zinc/15/36/94/335153694.db2.gz FQVUDQSPHPCJRJ-UHFFFAOYSA-N 1 1 266.300 3.496 20 30 CGEDMO C=CC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000174940530 335169982 /nfs/dbraw/zinc/16/99/82/335169982.db2.gz FPQWXBMHHSEXOT-DOTOQJQBSA-N 1 1 286.419 3.122 20 30 CGEDMO COc1ccc(C[N@@H+](CCCSCC#N)C2CC2)cc1 ZINC000074980708 334021535 /nfs/dbraw/zinc/02/15/35/334021535.db2.gz YXMQANHMBYPSEE-UHFFFAOYSA-N 1 1 290.432 3.306 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000546643616 334042975 /nfs/dbraw/zinc/04/29/75/334042975.db2.gz IBTIBPXHXWWJOV-OAHLLOKOSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC[N@@H+](C)[C@H](C)c1nc(C(C)(C)C)no1 ZINC000076738531 334088358 /nfs/dbraw/zinc/08/83/58/334088358.db2.gz GPOOAHMVRNZDPF-LLVKDONJSA-N 1 1 251.374 3.326 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)c1nc(C(C)(C)C)no1 ZINC000076738531 334088359 /nfs/dbraw/zinc/08/83/59/334088359.db2.gz GPOOAHMVRNZDPF-LLVKDONJSA-N 1 1 251.374 3.326 20 30 CGEDMO C[C@H]1C[C@H](C)[NH+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000548097626 334139597 /nfs/dbraw/zinc/13/95/97/334139597.db2.gz KNAABBXSJVRHTP-KBPBESRZSA-N 1 1 295.386 3.220 20 30 CGEDMO COc1ccc(C[C@@H](C)C[N@@H+](C)C[C@@H](C#N)CCC#N)cc1 ZINC000245589414 334205556 /nfs/dbraw/zinc/20/55/56/334205556.db2.gz OFTSSNZQZKVFJX-NVXWUHKLSA-N 1 1 299.418 3.249 20 30 CGEDMO C=CCC[NH+]1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000084681255 334276720 /nfs/dbraw/zinc/27/67/20/334276720.db2.gz ZVVFTQVJOAYGQH-UHFFFAOYSA-N 1 1 264.457 3.395 20 30 CGEDMO CC[N@@H+](C[C@H](C)Cc1ccc(OC)c(F)c1)C[C@H](C)C#N ZINC000249024587 334325009 /nfs/dbraw/zinc/32/50/09/334325009.db2.gz RGDOQFVUZFBWCJ-ZIAGYGMSSA-N 1 1 292.398 3.494 20 30 CGEDMO C=CC[C@@H](CC)NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000566982099 334672148 /nfs/dbraw/zinc/67/21/48/334672148.db2.gz QWTCEVXUTWNDCJ-HUUCEWRRSA-N 1 1 294.826 3.414 20 30 CGEDMO CC[C@H](C)C[C@H]([NH2+]C1CCC(C)(C#N)CC1)C(=O)OC ZINC000568393264 334822388 /nfs/dbraw/zinc/82/23/88/334822388.db2.gz NIGLXLNGTCGWNM-REWIBIJMSA-N 1 1 280.412 3.026 20 30 CGEDMO CC(C)OC1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000576529660 335215806 /nfs/dbraw/zinc/21/58/06/335215806.db2.gz GERGQVWGQFNOQY-UHFFFAOYSA-N 1 1 276.355 3.087 20 30 CGEDMO N#Cc1ccc(C[N@@H+](CC2CCCCC2)C2CC2)nc1 ZINC000577167377 335313376 /nfs/dbraw/zinc/31/33/76/335313376.db2.gz CVRCSHNGSMMMKO-UHFFFAOYSA-N 1 1 269.392 3.498 20 30 CGEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])CC1CCC1 ZINC000577283225 335335355 /nfs/dbraw/zinc/33/53/55/335335355.db2.gz PMNLJWVJLLNMRE-UHFFFAOYSA-N 1 1 287.363 3.477 20 30 CGEDMO COC[C@@H]([NH2+]Cc1cc(C#N)ccc1OC)c1ccccc1 ZINC000181659386 335777068 /nfs/dbraw/zinc/77/70/68/335777068.db2.gz NTJJBFRKNUTULP-QGZVFWFLSA-N 1 1 296.370 3.044 20 30 CGEDMO CC(C)Cn1ccnc1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000181809998 335786282 /nfs/dbraw/zinc/78/62/82/335786282.db2.gz UENXNATYYKSSGQ-CQSZACIVSA-N 1 1 282.391 3.262 20 30 CGEDMO C[C@H](C#N)C[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000183827849 335908374 /nfs/dbraw/zinc/90/83/74/335908374.db2.gz AESJGZDBBUPSLH-CQSZACIVSA-N 1 1 290.370 3.275 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C1(C)CCCC1 ZINC000581195533 336023111 /nfs/dbraw/zinc/02/31/11/336023111.db2.gz OFRBYJSYYCHASA-UHFFFAOYSA-N 1 1 273.336 3.231 20 30 CGEDMO CC[N@@H+](CCCOc1cccc(C#N)c1)CCC1CC1 ZINC000385731282 336155360 /nfs/dbraw/zinc/15/53/60/336155360.db2.gz QMVNNSCWZCXFHE-UHFFFAOYSA-N 1 1 272.392 3.449 20 30 CGEDMO C[C@H]([NH2+][C@H](CN)C1CCCCC1)c1cccc(C#N)c1 ZINC000423269262 533995495 /nfs/dbraw/zinc/99/54/95/533995495.db2.gz VVHJJVSCDXUHNF-SUMWQHHRSA-N 1 1 271.408 3.116 20 30 CGEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)CC12CCC2 ZINC000329151220 534023712 /nfs/dbraw/zinc/02/37/12/534023712.db2.gz SGODRSFGSAVHIM-CZUORRHYSA-N 1 1 289.423 3.147 20 30 CGEDMO C[C@@H]1CC[C@]2(CC[N@@H+](CCOc3ccc(C#N)cc3)C2)C1 ZINC000359557956 534265099 /nfs/dbraw/zinc/26/50/99/534265099.db2.gz NXXQUNWJCCUQSO-QAPCUYQASA-N 1 1 284.403 3.449 20 30 CGEDMO C=CC[N@H+](CCC(=C)C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000352029446 526271921 /nfs/dbraw/zinc/27/19/21/526271921.db2.gz RMCWTWKIMHRERD-OAHLLOKOSA-N 1 1 297.406 3.178 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccc(CC)cc1 ZINC000481213152 526507244 /nfs/dbraw/zinc/50/72/44/526507244.db2.gz QURDNMJZRDELJP-LSDHHAIUSA-N 1 1 288.435 3.323 20 30 CGEDMO N#Cc1ccc(C[NH+]2CCC(C(F)(F)F)CC2)c(F)c1 ZINC000088420377 526609894 /nfs/dbraw/zinc/60/98/94/526609894.db2.gz AEDSIYWSKQNASN-UHFFFAOYSA-N 1 1 286.272 3.472 20 30 CGEDMO C=CCOCCC[N@H+](C)Cc1ccc(Br)cc1 ZINC000347961690 526748281 /nfs/dbraw/zinc/74/82/81/526748281.db2.gz ARWWNHBURFSXOH-UHFFFAOYSA-N 1 1 298.224 3.474 20 30 CGEDMO C=CCOCCC[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000347966347 526748978 /nfs/dbraw/zinc/74/89/78/526748978.db2.gz FPJDWBRJBRTZRX-GOSISDBHSA-N 1 1 289.419 3.260 20 30 CGEDMO C=CCOCCC[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000347966348 526749579 /nfs/dbraw/zinc/74/95/79/526749579.db2.gz FPJDWBRJBRTZRX-SFHVURJKSA-N 1 1 289.419 3.260 20 30 CGEDMO C=CCOCCC[N@H+]1CCCC[C@H]1c1nccs1 ZINC000347958885 526752543 /nfs/dbraw/zinc/75/25/43/526752543.db2.gz CYFHUHGJXAOISC-ZDUSSCGKSA-N 1 1 266.410 3.263 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2C[C@H](C)OC(C)(C)C2)cc1 ZINC000352730402 526873012 /nfs/dbraw/zinc/87/30/12/526873012.db2.gz DCYWLDLGJIBSGN-AWEZNQCLSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CCCC1 ZINC000334757370 527048560 /nfs/dbraw/zinc/04/85/60/527048560.db2.gz FCJNYCLIWDSRDS-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCCCCN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000352276082 527126057 /nfs/dbraw/zinc/12/60/57/527126057.db2.gz RRTVATVVMLVNOU-HNNXBMFYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1C[C@H](N2CCCC2)C[C@H]1C ZINC000352792540 527275541 /nfs/dbraw/zinc/27/55/41/527275541.db2.gz MGROGHCSWIIVTN-ARFHVFGLSA-N 1 1 250.430 3.290 20 30 CGEDMO CC(C)Cn1cc(NC(=O)CC[C@H]2CCCC[N@H+]2C)cn1 ZINC000329270944 528712218 /nfs/dbraw/zinc/71/22/18/528712218.db2.gz HTHBJMKKDXGPQG-OAHLLOKOSA-N 1 1 292.427 3.392 20 30 CGEDMO CC/C=C/CC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000364167388 528772631 /nfs/dbraw/zinc/77/26/31/528772631.db2.gz VEFXORNTFZTWDY-IDOMTICXSA-N 1 1 270.376 3.288 20 30 CGEDMO CC/C=C/CC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000364167388 528772638 /nfs/dbraw/zinc/77/26/38/528772638.db2.gz VEFXORNTFZTWDY-IDOMTICXSA-N 1 1 270.376 3.288 20 30 CGEDMO CC(C)[NH+](Cc1c(C#N)cccc1[N+](=O)[O-])C(C)C ZINC000459479891 535087596 /nfs/dbraw/zinc/08/75/96/535087596.db2.gz VIYKIHZEZQDXNY-UHFFFAOYSA-N 1 1 261.325 3.085 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000740877327 571890681 /nfs/dbraw/zinc/89/06/81/571890681.db2.gz AZRVNIDLSUITDM-RYUDHWBXSA-N 1 1 267.335 3.344 20 30 CGEDMO CCCCCCCCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000729525289 571923637 /nfs/dbraw/zinc/92/36/37/571923637.db2.gz GMZPTZGHJZCJSZ-OAHLLOKOSA-N 1 1 268.445 3.147 20 30 CGEDMO C=CC[N@@H+](Cn1ccc(-c2cccs2)n1)C(C)C ZINC000731659507 572421227 /nfs/dbraw/zinc/42/12/27/572421227.db2.gz HNBZQZTZHLBJNN-UHFFFAOYSA-N 1 1 261.394 3.466 20 30 CGEDMO CC[C@@H](C)C[N@@H+](C)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000732182282 572450689 /nfs/dbraw/zinc/45/06/89/572450689.db2.gz GAHRYNQKGGXGPH-CQSZACIVSA-N 1 1 282.391 3.357 20 30 CGEDMO C=C(Br)C[N@@H+](C)[C@@H]1C[C@H](OCC)C1(C)C ZINC000741054850 572480028 /nfs/dbraw/zinc/48/00/28/572480028.db2.gz YQULYZHCJSCPTL-MNOVXSKESA-N 1 1 276.218 3.030 20 30 CGEDMO C=C(Br)C[N@H+](C)[C@@H]1C[C@H](OCC)C1(C)C ZINC000741054850 572480029 /nfs/dbraw/zinc/48/00/29/572480029.db2.gz YQULYZHCJSCPTL-MNOVXSKESA-N 1 1 276.218 3.030 20 30 CGEDMO C=CCCCOC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000741325186 572492906 /nfs/dbraw/zinc/49/29/06/572492906.db2.gz HAWSIDDFIVODDZ-KRWDZBQOSA-N 1 1 287.403 3.408 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCC1N=Nc1ccccn1 ZINC000734363543 572649058 /nfs/dbraw/zinc/64/90/58/572649058.db2.gz LMSQVLSDRTXUSM-OAHLLOKOSA-N 1 1 294.402 3.392 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)c1ccc(C)cc1 ZINC000743842648 572686934 /nfs/dbraw/zinc/68/69/34/572686934.db2.gz JCDFYIRPDUCSTH-LJQANCHMSA-N 1 1 297.373 3.303 20 30 CGEDMO C=CC[N@H+](Cc1nnc(-c2cccc(F)c2)o1)C(C)C ZINC000743841622 572687009 /nfs/dbraw/zinc/68/70/09/572687009.db2.gz OFZXZDGLAOQPEC-UHFFFAOYSA-N 1 1 275.327 3.272 20 30 CGEDMO C=CC[N@@H+](Cc1nnc(-c2cccc(F)c2)o1)C(C)C ZINC000743841622 572687012 /nfs/dbraw/zinc/68/70/12/572687012.db2.gz OFZXZDGLAOQPEC-UHFFFAOYSA-N 1 1 275.327 3.272 20 30 CGEDMO C=CC[N@@H+](Cn1cc(-c2ccccc2)cn1)C(C)C ZINC000744140932 572712926 /nfs/dbraw/zinc/71/29/26/572712926.db2.gz DFBKZGJPIVFVHJ-UHFFFAOYSA-N 1 1 255.365 3.404 20 30 CGEDMO CCCCCC[N@@H+](C)CC(=O)N[C@@]1(C#N)CCC[C@@H](C)C1 ZINC000735658414 572737602 /nfs/dbraw/zinc/73/76/02/572737602.db2.gz ATCAOSOCNNOEKB-WBVHZDCISA-N 1 1 293.455 3.087 20 30 CGEDMO C#CC[N@H+](CC(=O)N1[C@H](C)CCC[C@H]1C)C1CCCCC1 ZINC000744739290 572771006 /nfs/dbraw/zinc/77/10/06/572771006.db2.gz RUQNKCBMOSOJSK-HZPDHXFCSA-N 1 1 290.451 3.044 20 30 CGEDMO C#CC[N@H+](CC)[C@@H](C)c1cccc(Br)c1 ZINC000746145200 572857142 /nfs/dbraw/zinc/85/71/42/572857142.db2.gz RIUBAXODXDPVIH-NSHDSACASA-N 1 1 266.182 3.465 20 30 CGEDMO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000746174873 572859660 /nfs/dbraw/zinc/85/96/60/572859660.db2.gz VMKRVGXLVDCSLL-IYBDPMFKSA-N 1 1 299.418 3.115 20 30 CGEDMO N#CCC[NH2+]Cc1c(-c2ccccc2)nc2sccn21 ZINC000747369049 572926858 /nfs/dbraw/zinc/92/68/58/572926858.db2.gz NYSTWFCXPQZVPC-UHFFFAOYSA-N 1 1 282.372 3.066 20 30 CGEDMO C=C(Cl)C[N@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000747532841 572934808 /nfs/dbraw/zinc/93/48/08/572934808.db2.gz FKVDMLWYVSXRAG-UHFFFAOYSA-N 1 1 290.835 3.222 20 30 CGEDMO CCCCCC[N@@H+](C)CC(=O)N[C@@H](C#N)C1CCCCC1 ZINC000748721121 572982852 /nfs/dbraw/zinc/98/28/52/572982852.db2.gz KDURKKQHEGCETR-INIZCTEOSA-N 1 1 293.455 3.087 20 30 CGEDMO C#Cc1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)c1 ZINC000749118153 572989453 /nfs/dbraw/zinc/98/94/53/572989453.db2.gz ANFRTKZBUGNVCM-WMLDXEAASA-N 1 1 299.418 3.004 20 30 CGEDMO C#CC[N@@H+](CC)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000750045334 573077277 /nfs/dbraw/zinc/07/72/77/573077277.db2.gz IZXCXLUGXIOOCM-UHFFFAOYSA-N 1 1 265.278 3.012 20 30 CGEDMO C#CC[N@H+](CC)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000750045334 573077279 /nfs/dbraw/zinc/07/72/79/573077279.db2.gz IZXCXLUGXIOOCM-UHFFFAOYSA-N 1 1 265.278 3.012 20 30 CGEDMO C=C(Cl)CN[C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925438615 624268762 /nfs/dbraw/zinc/26/87/62/624268762.db2.gz ZAQRXDJKBIHBKY-GFCCVEGCSA-N 1 1 252.789 3.151 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC2(C1)CCC[N@H+](CCCC)C2 ZINC000981930288 613239680 /nfs/dbraw/zinc/23/96/80/613239680.db2.gz JIZQNPNILAWUKS-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[NH+]1CC(N(CC)C(=O)c2ccsc2C)C1 ZINC000950025744 613246770 /nfs/dbraw/zinc/24/67/70/613246770.db2.gz HYMFMSQODRXUCU-UHFFFAOYSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)C(C)(C)C(C)C)CC1 ZINC000981236938 613251573 /nfs/dbraw/zinc/25/15/73/613251573.db2.gz MSTWJDBZOPSBNL-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000981845776 613253750 /nfs/dbraw/zinc/25/37/50/613253750.db2.gz XQSGHRBZAGGFKM-IAGOWNOFSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC2(C)C)CC1 ZINC000948306838 613256293 /nfs/dbraw/zinc/25/62/93/613256293.db2.gz QFQKAIGJHLUULN-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C2(F)CCCC2)C1 ZINC000967063471 613263048 /nfs/dbraw/zinc/26/30/48/613263048.db2.gz RDWOJISIZJZVJC-CABCVRRESA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C2CC(C)(C)C2)C1 ZINC000965989953 613264112 /nfs/dbraw/zinc/26/41/12/613264112.db2.gz KTYXWXQRYCFOIV-ZBFHGGJFSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2(C3CC3)CC2)C[C@H]1C ZINC000947427080 613270425 /nfs/dbraw/zinc/27/04/25/613270425.db2.gz WHCLVDSZMJPGPL-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC=CCC2)C(C)(C)C1 ZINC000972801925 613273472 /nfs/dbraw/zinc/27/34/72/613273472.db2.gz HOENNTVOXRPDJL-HZPDHXFCSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCCC2(C)C)C1 ZINC000980512147 613285702 /nfs/dbraw/zinc/28/57/02/613285702.db2.gz WEORTSYDCMNGAC-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CCC ZINC000969023292 613307290 /nfs/dbraw/zinc/30/72/90/613307290.db2.gz OYIBROXWTMLWFL-IXDOHACOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)C(CC)(CC)CC)CC1 ZINC000982944401 613307735 /nfs/dbraw/zinc/30/77/35/613307735.db2.gz KTOJXGXKANSGIF-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)C2(C)CCCC2)CC1 ZINC000948656475 613313544 /nfs/dbraw/zinc/31/35/44/613313544.db2.gz ZGEYGZGZAAAEFM-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)C(C)C)CC2)C1 ZINC000961332153 613313570 /nfs/dbraw/zinc/31/35/70/613313570.db2.gz QMZGONTZTATLEA-QGZVFWFLSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC(C)C)C1 ZINC000963244098 613315681 /nfs/dbraw/zinc/31/56/81/613315681.db2.gz LJTUXTANWYBQJA-SJORKVTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C2CCC(=C)CC2)C1 ZINC000968190795 613323743 /nfs/dbraw/zinc/32/37/43/613323743.db2.gz MHRMSKYOYYRZPA-WBVHZDCISA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccsc2C)C1 ZINC000966005506 613326104 /nfs/dbraw/zinc/32/61/04/613326104.db2.gz VFAXIXBNSWWRNB-IUODEOHRSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C=C2CCCCC2)C[C@@H]1C ZINC000947109262 613327217 /nfs/dbraw/zinc/32/72/17/613327217.db2.gz RTNRUAGISFEYRO-DOTOQJQBSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C(F)=C2CCCC2)[C@H](C)C1 ZINC000941950842 613334559 /nfs/dbraw/zinc/33/45/59/613334559.db2.gz PXXNJKMESYUZBF-HIFRSBDPSA-N 1 1 294.414 3.187 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)=C2CCC2)C(C)(C)C1 ZINC000940741728 613334621 /nfs/dbraw/zinc/33/46/21/613334621.db2.gz VVFVTPJHSIVDST-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C=C2CCCCC2)C[C@H]1C ZINC000947109265 613334851 /nfs/dbraw/zinc/33/48/51/613334851.db2.gz RTNRUAGISFEYRO-WBVHZDCISA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC2CC(C)(C)C2)C[C@H]1C ZINC000947649492 613334869 /nfs/dbraw/zinc/33/48/69/613334869.db2.gz QSFRISDTTBNLAA-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C2CCC2)C(C)(C)C1 ZINC000940837351 613335439 /nfs/dbraw/zinc/33/54/39/613335439.db2.gz SJVLWVKREMDKPU-HOCLYGCPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C[C@H]2CC=CCC2)C(C)(C)C1 ZINC000974914099 613337963 /nfs/dbraw/zinc/33/79/63/613337963.db2.gz FWOAUXFHYQZTQQ-JKSUJKDBSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975027050 613338090 /nfs/dbraw/zinc/33/80/90/613338090.db2.gz NOQIZAWNLWFYRI-LSDHHAIUSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@]2(C)CC=CCC2)C(C)(C)C1 ZINC000974618151 613338325 /nfs/dbraw/zinc/33/83/25/613338325.db2.gz CVILOGYDJXVLKY-CRAIPNDOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)CC2(C)CCCC2)C1 ZINC000971484203 613367995 /nfs/dbraw/zinc/36/79/95/613367995.db2.gz MPKZWJGXGCNFLG-CQSZACIVSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)CC2(C)CCCC2)C1 ZINC000971484203 613367996 /nfs/dbraw/zinc/36/79/96/613367996.db2.gz MPKZWJGXGCNFLG-CQSZACIVSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)C2CCC(=C)CC2)C1 ZINC000972233547 613368216 /nfs/dbraw/zinc/36/82/16/613368216.db2.gz AXVHRCRMQQWROB-OAHLLOKOSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)C2CCC(=C)CC2)C1 ZINC000972233547 613368217 /nfs/dbraw/zinc/36/82/17/613368217.db2.gz AXVHRCRMQQWROB-OAHLLOKOSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)C2CCCC2)C1 ZINC000972701027 613368386 /nfs/dbraw/zinc/36/83/86/613368386.db2.gz RGSQINSXOJTAFV-DZGCQCFKSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)C2CCCC2)C1 ZINC000972701027 613368387 /nfs/dbraw/zinc/36/83/87/613368387.db2.gz RGSQINSXOJTAFV-DZGCQCFKSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@]2(C)CC=CCC2)C1 ZINC000971597278 613370327 /nfs/dbraw/zinc/37/03/27/613370327.db2.gz PYSKHZBQDWMPGR-HOCLYGCPSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@@]2(C)CC=CCC2)C1 ZINC000971597278 613370328 /nfs/dbraw/zinc/37/03/28/613370328.db2.gz PYSKHZBQDWMPGR-HOCLYGCPSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)C(CC)CC)C2)C1 ZINC000981632759 613372501 /nfs/dbraw/zinc/37/25/01/613372501.db2.gz KQXDRZRFIMHMAJ-UHFFFAOYSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)C(CC)CC)C2)C1 ZINC000981632759 613372502 /nfs/dbraw/zinc/37/25/02/613372502.db2.gz KQXDRZRFIMHMAJ-UHFFFAOYSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@H](C)C2CC2)CC1 ZINC000948274914 613374331 /nfs/dbraw/zinc/37/43/31/613374331.db2.gz ZYXOUBGOSFEGJB-HIFRSBDPSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(C)CCCC2)[C@@H](C)C1 ZINC000942541054 613376191 /nfs/dbraw/zinc/37/61/91/613376191.db2.gz UNXSASDPJIRRSK-GXTWGEPZSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(C)CCCC2)[C@@H](C)C1 ZINC000942541054 613376192 /nfs/dbraw/zinc/37/61/92/613376192.db2.gz UNXSASDPJIRRSK-GXTWGEPZSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)(C)C2CC2)C[C@H]1C ZINC000947632633 613378020 /nfs/dbraw/zinc/37/80/20/613378020.db2.gz DFIJGRXWBLLSAY-OCCSQVGLSA-N 1 1 298.858 3.144 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C2CC2)C[C@H]1C ZINC000947632633 613378021 /nfs/dbraw/zinc/37/80/21/613378021.db2.gz DFIJGRXWBLLSAY-OCCSQVGLSA-N 1 1 298.858 3.144 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CCCCC2)C[C@H]1C ZINC000946994254 613378353 /nfs/dbraw/zinc/37/83/53/613378353.db2.gz CLEWLSZXEAWDBF-HIFRSBDPSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CCCCC2)C[C@H]1C ZINC000946994254 613378354 /nfs/dbraw/zinc/37/83/54/613378354.db2.gz CLEWLSZXEAWDBF-HIFRSBDPSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CCC(C)C)CC[C@H]2C)C1 ZINC000968275264 613398581 /nfs/dbraw/zinc/39/85/81/613398581.db2.gz QGRIJYBRVZNKBG-HZPDHXFCSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](CCCC)CC[C@H]2C)CC1 ZINC000968215071 613410827 /nfs/dbraw/zinc/41/08/27/613410827.db2.gz VTIMMWKVJIIDAQ-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]([C@@H]2CC[N@H+](CCC)C2)C1 ZINC000961229432 613432331 /nfs/dbraw/zinc/43/23/31/613432331.db2.gz MIUJXCPJXYRTET-HZPDHXFCSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)C1=CCCC1 ZINC000968809639 613489693 /nfs/dbraw/zinc/48/96/93/613489693.db2.gz PDMCZLWMVQFVKH-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1cc(C)co1 ZINC000968998514 613491287 /nfs/dbraw/zinc/49/12/87/613491287.db2.gz YCJUGODBKSDTRU-HNNXBMFYSA-N 1 1 290.407 3.139 20 30 CGEDMO C=CCC[N@H+]1CCCN(C(=O)[C@H]2CCC=CCCC2)CC1 ZINC000981432569 613494939 /nfs/dbraw/zinc/49/49/39/613494939.db2.gz DYTJHSQZNDNXPS-KRWDZBQOSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)[C@]2(C)CCC[C@H]2CC)CC1 ZINC000981451410 613496733 /nfs/dbraw/zinc/49/67/33/613496733.db2.gz SDTCIAYQFNUFDS-SJLPKXTDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC=CCC2)CC1 ZINC000948169689 613499797 /nfs/dbraw/zinc/49/97/97/613499797.db2.gz PXBFNAGWUJEXKG-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)C2CCCC2)CC1 ZINC000948137032 613500843 /nfs/dbraw/zinc/50/08/43/613500843.db2.gz WONPLUJGLMQZJL-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC(C)C)C1 ZINC000963245162 613501416 /nfs/dbraw/zinc/50/14/16/613501416.db2.gz SPKNISCYDBMSMM-IRXDYDNUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C2C(C)(C)C2(C)C)C[C@@H]1C ZINC000947173883 613519305 /nfs/dbraw/zinc/51/93/05/613519305.db2.gz AYLLRYOHEXAVAG-UONOGXRCSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@@H](C)C1 ZINC000944226463 613522276 /nfs/dbraw/zinc/52/22/76/613522276.db2.gz IWDCADQZSOJJLP-LUKYLMHMSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cscc2C)C[C@H]1C ZINC000947169996 613527127 /nfs/dbraw/zinc/52/71/27/613527127.db2.gz BLVIDAGCJMOZIX-ZIAGYGMSSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C(F)=C2CCCC2)C1 ZINC000965901562 613528409 /nfs/dbraw/zinc/52/84/09/613528409.db2.gz VOWQMGAXYCQREL-ZFWWWQNUSA-N 1 1 294.414 3.187 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC000965864215 613528616 /nfs/dbraw/zinc/52/86/16/613528616.db2.gz SMJVAGDBKOKAGT-KBPBESRZSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)=C2CCC2)C[C@H]1C ZINC000947301589 613533121 /nfs/dbraw/zinc/53/31/21/613533121.db2.gz WHQZAFCWVQFMBJ-CJNGLKHVSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)=C2CCC2)C(C)(C)C1 ZINC000940739770 613533231 /nfs/dbraw/zinc/53/32/31/613533231.db2.gz AEIQLOSDTFOUJP-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2(F)CCCCC2)C[C@H]1C ZINC000947900686 613533668 /nfs/dbraw/zinc/53/36/68/613533668.db2.gz UTACAHFJDCGBCI-CABCVRRESA-N 1 1 296.430 3.204 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2(C)CCCC2)C(C)(C)C1 ZINC000940926895 613534002 /nfs/dbraw/zinc/53/40/02/613534002.db2.gz ZGFVJXOGFDKSBQ-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)c2ccsc2C)[C@H](C)C1 ZINC000942034352 613539865 /nfs/dbraw/zinc/53/98/65/613539865.db2.gz WWMCNMDBYYCOEA-DOMZBBRYSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccccc3)C[C@@H]2C1 ZINC000979493229 613559360 /nfs/dbraw/zinc/55/93/60/613559360.db2.gz ZBGHHSWTIBBIET-RCCFBDPRSA-N 1 1 298.430 3.093 20 30 CGEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)c3c(C)cccc3C)C2)C1 ZINC000982034452 613681621 /nfs/dbraw/zinc/68/16/21/613681621.db2.gz YPJSCROPQKOJIG-UHFFFAOYSA-N 1 1 298.430 3.027 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccc(C)s2)CC1 ZINC000948151471 613702539 /nfs/dbraw/zinc/70/25/39/613702539.db2.gz AMHWIQMNCJASHC-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H](C)CC)CC2)C1 ZINC000961330518 613703786 /nfs/dbraw/zinc/70/37/86/613703786.db2.gz KTMSLQUKLVNUOQ-RDJZCZTQSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC000948748032 613704719 /nfs/dbraw/zinc/70/47/19/613704719.db2.gz AYCRBINKCOZHRQ-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)CC)C1 ZINC000963354006 613706424 /nfs/dbraw/zinc/70/64/24/613706424.db2.gz WSVXUJHKMWQJSK-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)C2=CCCCCC2)C(C)(C)C1 ZINC000940709643 613741194 /nfs/dbraw/zinc/74/11/94/613741194.db2.gz JJHFSQXFJLUVEY-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)CC)C2)C1 ZINC000961242825 613766439 /nfs/dbraw/zinc/76/64/39/613766439.db2.gz WHOBMBKAHWVIQX-JKSUJKDBSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C(C)(C)C2CCCC2)C1 ZINC000966778938 613771866 /nfs/dbraw/zinc/77/18/66/613771866.db2.gz BQVKIJWTJXHCQD-GOEBONIOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2CCC(C)(C)CC2)C[C@H]1C ZINC000948083877 613780325 /nfs/dbraw/zinc/78/03/25/613780325.db2.gz ZHHPMFGDJWSMRD-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC)cc2)C[C@@H]1C ZINC000947994647 613790802 /nfs/dbraw/zinc/79/08/02/613790802.db2.gz QEOLMRSRRISMAK-YOEHRIQHSA-N 1 1 286.419 3.018 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(COc2ccccc2F)no1 ZINC000900011736 620746355 /nfs/dbraw/zinc/74/63/55/620746355.db2.gz HHFUPNDJJQXBGP-LBPRGKRZSA-N 1 1 291.326 3.144 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000932710125 617912728 /nfs/dbraw/zinc/91/27/28/617912728.db2.gz CGSXKKVZLMRGLI-ZIAGYGMSSA-N 1 1 282.428 3.045 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(F)=C(C)C)C1 ZINC001021564677 618046180 /nfs/dbraw/zinc/04/61/80/618046180.db2.gz ZYAPAZSJIZMZGZ-LSDHHAIUSA-N 1 1 294.414 3.139 20 30 CGEDMO C[N@H+]1CCN(Cc2csc(C#N)c2)[C@@H](c2ccccc2)C1 ZINC000891400543 618186122 /nfs/dbraw/zinc/18/61/22/618186122.db2.gz WGEGYURWURPISQ-QGZVFWFLSA-N 1 1 297.427 3.108 20 30 CGEDMO C#CCC1([NH2+][C@H](C)c2nc(-c3cccs3)no2)CCC1 ZINC000933301242 618196896 /nfs/dbraw/zinc/19/68/96/618196896.db2.gz KXIUVKAWHRCXFT-LLVKDONJSA-N 1 1 287.388 3.395 20 30 CGEDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000934110282 618471093 /nfs/dbraw/zinc/47/10/93/618471093.db2.gz XUBVWHJAMUIHQW-UONOGXRCSA-N 1 1 298.308 3.186 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@H]1c1ncc(OC)c(=O)[nH]1 ZINC000934274338 618569871 /nfs/dbraw/zinc/56/98/71/618569871.db2.gz SPCXBPXBGCYGFV-ZDUSSCGKSA-N 1 1 291.395 3.074 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H]1c1ncc(OC)c(=O)[nH]1 ZINC000934274338 618569875 /nfs/dbraw/zinc/56/98/75/618569875.db2.gz SPCXBPXBGCYGFV-ZDUSSCGKSA-N 1 1 291.395 3.074 20 30 CGEDMO CC(C)C[N@H+](CCC#N)CCCOc1ccc(C#N)cc1 ZINC000043416409 618592789 /nfs/dbraw/zinc/59/27/89/618592789.db2.gz JOOPVGXJHQBTTE-UHFFFAOYSA-N 1 1 285.391 3.199 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1nc(-c2ccc(C)cc2)no1 ZINC000934472180 618628215 /nfs/dbraw/zinc/62/82/15/618628215.db2.gz PIYZDVHVGNAJBS-CQSZACIVSA-N 1 1 269.348 3.195 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1nc(-c2ccc(C)cc2)no1 ZINC000934472180 618628218 /nfs/dbraw/zinc/62/82/18/618628218.db2.gz PIYZDVHVGNAJBS-CQSZACIVSA-N 1 1 269.348 3.195 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1[C@H](C)C(=O)Nc1ccc(C)cc1F ZINC000934472539 618628294 /nfs/dbraw/zinc/62/82/94/618628294.db2.gz SGXBNGPELLXKFW-OLZOCXBDSA-N 1 1 276.355 3.112 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1ccc(C)cc1F ZINC000934472539 618628296 /nfs/dbraw/zinc/62/82/96/618628296.db2.gz SGXBNGPELLXKFW-OLZOCXBDSA-N 1 1 276.355 3.112 20 30 CGEDMO CC(C)Oc1ncccc1C[NH2+]CC#Cc1ccccc1 ZINC000051814252 618649661 /nfs/dbraw/zinc/64/96/61/618649661.db2.gz LDMPBHGADISVQS-UHFFFAOYSA-N 1 1 280.371 3.010 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000934830625 618699956 /nfs/dbraw/zinc/69/99/56/618699956.db2.gz GFCFSZNNPAAFJX-HIEASXQVSA-N 1 1 290.451 3.455 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000177054459 618781413 /nfs/dbraw/zinc/78/14/13/618781413.db2.gz DCTKXRZDNZNEPP-HNNXBMFYSA-N 1 1 264.800 3.340 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000179622212 618797043 /nfs/dbraw/zinc/79/70/43/618797043.db2.gz MNTYGHYADMBFKX-AWEZNQCLSA-N 1 1 297.320 3.473 20 30 CGEDMO CCCN[NH+]=C(C)c1cc(Cl)c(N)c(Cl)c1 ZINC000309272393 618839310 /nfs/dbraw/zinc/83/93/10/618839310.db2.gz LJZXRCVWPFZXHJ-UHFFFAOYSA-N 1 1 260.168 3.299 20 30 CGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC3(CCCC3)C2)cc1 ZINC000173825621 618857356 /nfs/dbraw/zinc/85/73/56/618857356.db2.gz IMHDHOPMPKDQTF-UHFFFAOYSA-N 1 1 297.402 3.153 20 30 CGEDMO C=CCCc1noc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000924085081 618919485 /nfs/dbraw/zinc/91/94/85/618919485.db2.gz ZXPSFEVLGKYDFX-HOCLYGCPSA-N 1 1 297.402 3.424 20 30 CGEDMO Cc1noc([C@H]2CCC[N@@H+]2Cc2c(C)cc(C#N)cc2C)n1 ZINC000930479697 619001005 /nfs/dbraw/zinc/00/10/05/619001005.db2.gz IGSOQNZTOWUQTM-MRXNPFEDSA-N 1 1 296.374 3.204 20 30 CGEDMO Cc1noc([C@H]2CCC[N@H+]2Cc2c(C)cc(C#N)cc2C)n1 ZINC000930479697 619001008 /nfs/dbraw/zinc/00/10/08/619001008.db2.gz IGSOQNZTOWUQTM-MRXNPFEDSA-N 1 1 296.374 3.204 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H](CCO)CC1 ZINC000930752662 619073886 /nfs/dbraw/zinc/07/38/86/619073886.db2.gz AOGSNUMSYFJYIV-MRXNPFEDSA-N 1 1 286.419 3.160 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CCC[N@H+](C[C@@H](C)CC)C2)CC1 ZINC001008413888 619093337 /nfs/dbraw/zinc/09/33/37/619093337.db2.gz WPLLZCBWASZQIG-YOEHRIQHSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CC[N@H+](C)[C@@H](C)c1ccc(Br)cc1 ZINC000194971569 619144827 /nfs/dbraw/zinc/14/48/27/619144827.db2.gz ARTICCVQSMSFKC-JTQLQIEISA-N 1 1 252.155 3.075 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001009152356 619167936 /nfs/dbraw/zinc/16/79/36/619167936.db2.gz KFNAAXDDADJXDK-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCO[C@@H](C(F)F)CC2)CCC1 ZINC000931478016 619182221 /nfs/dbraw/zinc/18/22/21/619182221.db2.gz UZLFQRJOTRBMOS-CYBMUJFWSA-N 1 1 286.366 3.207 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)c1 ZINC000931753042 619248773 /nfs/dbraw/zinc/24/87/73/619248773.db2.gz PEHSVLPWLQHTIM-GOEBONIOSA-N 1 1 290.794 3.213 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931920639 619275331 /nfs/dbraw/zinc/27/53/31/619275331.db2.gz ZTHJVNGKJDWBCO-QWRGUYRKSA-N 1 1 263.278 3.155 20 30 CGEDMO CO[C@]1(C)CCC[N@@H+](Cc2csc(C#N)c2)CC1 ZINC000894170244 619403496 /nfs/dbraw/zinc/40/34/96/619403496.db2.gz AVUJOHOWCWOXME-CQSZACIVSA-N 1 1 264.394 3.011 20 30 CGEDMO C=CCCCC[N@H+]1CC[C@@H](C(F)(F)F)O[C@@H](C)C1 ZINC000880066041 619542202 /nfs/dbraw/zinc/54/22/02/619542202.db2.gz CAQUWYNLMNXUET-RYUDHWBXSA-N 1 1 265.319 3.384 20 30 CGEDMO CSC[C@H]1CCC[N@@H+](Cc2csc(C#N)c2)C1 ZINC000894598696 619587029 /nfs/dbraw/zinc/58/70/29/619587029.db2.gz GRGMZYMKKAAXSB-NSHDSACASA-N 1 1 266.435 3.195 20 30 CGEDMO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@@H]2C2CC2)c1 ZINC000894687302 619603789 /nfs/dbraw/zinc/60/37/89/619603789.db2.gz BIZVJTDBLWMXEE-CQSZACIVSA-N 1 1 291.192 3.305 20 30 CGEDMO N#Cc1ccc(Br)c(C[N@H+]2CC[C@@H]2C2CC2)c1 ZINC000894687302 619603790 /nfs/dbraw/zinc/60/37/90/619603790.db2.gz BIZVJTDBLWMXEE-CQSZACIVSA-N 1 1 291.192 3.305 20 30 CGEDMO CC1(C)c2ccccc2CC[N@@H+]1Cc1cccc(C#N)n1 ZINC000895015922 619695873 /nfs/dbraw/zinc/69/58/73/619695873.db2.gz GCMRKQKBOUUXBW-UHFFFAOYSA-N 1 1 277.371 3.247 20 30 CGEDMO C#CCCCCCC[N@H+]1CCc2nc[nH]c2C12CCC2 ZINC000895069067 619708920 /nfs/dbraw/zinc/70/89/20/619708920.db2.gz PGDYJXPXOXVWRE-UHFFFAOYSA-N 1 1 271.408 3.231 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2c(Cl)n[nH]c2C2CC2)C1 ZINC000895101847 619729654 /nfs/dbraw/zinc/72/96/54/619729654.db2.gz QDUUXYAOGLDZFS-LLVKDONJSA-N 1 1 277.799 3.176 20 30 CGEDMO CSCCON=C1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000794573387 619767699 /nfs/dbraw/zinc/76/76/99/619767699.db2.gz ZLCLFYCHQSQRIE-CQSZACIVSA-N 1 1 292.448 3.264 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cnc3onc(C)c3c2)C1 ZINC000895250992 619790674 /nfs/dbraw/zinc/79/06/74/619790674.db2.gz RGKUDGKHEVTJCI-CYBMUJFWSA-N 1 1 271.364 3.319 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2ccc(OCCOC)o2)C1 ZINC000895338930 619807378 /nfs/dbraw/zinc/80/73/78/619807378.db2.gz WBMZFBALOYNKNN-AWEZNQCLSA-N 1 1 279.380 3.093 20 30 CGEDMO N#CC1(c2ccc(C[N@@H+]3CC[C@H](CF)C3)cc2)CC1 ZINC000895566749 619853125 /nfs/dbraw/zinc/85/31/25/619853125.db2.gz BYFCOMIUBUVYBJ-CQSZACIVSA-N 1 1 258.340 3.033 20 30 CGEDMO C[C@@H]1[C@@H](Nc2ccc(C#N)cc2C(F)(F)F)CC[N@H+]1C ZINC000895739575 619878318 /nfs/dbraw/zinc/87/83/18/619878318.db2.gz HCBQMHRMVASSSQ-SKDRFNHKSA-N 1 1 283.297 3.082 20 30 CGEDMO CSc1ccc(C[NH2+]Cc2cc(C3CC3)no2)cc1C#N ZINC000895776476 619883817 /nfs/dbraw/zinc/88/38/17/619883817.db2.gz FSPOATIQYZBQJU-UHFFFAOYSA-N 1 1 299.399 3.435 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@@H](c3nccs3)C2)cs1 ZINC000896001956 619925477 /nfs/dbraw/zinc/92/54/77/619925477.db2.gz CPSSDJSIOSGQLW-LLVKDONJSA-N 1 1 275.402 3.066 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@H](c3nccs3)C2)cs1 ZINC000896001957 619925865 /nfs/dbraw/zinc/92/58/65/619925865.db2.gz CPSSDJSIOSGQLW-NSHDSACASA-N 1 1 275.402 3.066 20 30 CGEDMO C#Cc1cncc(-c2noc(C[N@H+](C)CCCCCC)n2)c1 ZINC000896567031 620028313 /nfs/dbraw/zinc/02/83/13/620028313.db2.gz YBOPJHQBJFVPHL-UHFFFAOYSA-N 1 1 298.390 3.125 20 30 CGEDMO C#Cc1ccc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(Cl)c1 ZINC000897136224 620151151 /nfs/dbraw/zinc/15/11/51/620151151.db2.gz MGMBJVUYLIJDQI-AAEUAGOBSA-N 1 1 262.784 3.216 20 30 CGEDMO C#CC[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000303164347 620187948 /nfs/dbraw/zinc/18/79/48/620187948.db2.gz HOWRYOHTZFRPJJ-UHFFFAOYSA-N 1 1 271.360 3.183 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)c2cscc2Cl)CC1 ZINC000985481744 620199326 /nfs/dbraw/zinc/19/93/26/620199326.db2.gz WLNBQTSOMMUFGQ-UHFFFAOYSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)C2(C)C(C)(C)C2(C)C)CC1 ZINC000985817733 620242639 /nfs/dbraw/zinc/24/26/39/620242639.db2.gz FXXGHTHULYGYJO-UHFFFAOYSA-N 1 1 292.467 3.168 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2c(F)cccc2Br)C1 ZINC000862447021 620299063 /nfs/dbraw/zinc/29/90/63/620299063.db2.gz GMHMUYUFOZRSFN-NSHDSACASA-N 1 1 296.183 3.433 20 30 CGEDMO Cc1cccc(O)c1C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000897624246 620411489 /nfs/dbraw/zinc/41/14/89/620411489.db2.gz DMOXXHUXPJZBAF-UHFFFAOYSA-N 1 1 272.373 3.266 20 30 CGEDMO CCCCCCCC[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000897969079 620459250 /nfs/dbraw/zinc/45/92/50/620459250.db2.gz DIISXRPQMLCZCV-CSNJMZFVSA-N 1 1 296.499 3.313 20 30 CGEDMO CC1(C)CC[N@H+](CCNCc2ccc(C3(C#N)CC3)cc2)C1 ZINC000898034461 620470983 /nfs/dbraw/zinc/47/09/83/620470983.db2.gz PTRCEXWQJYFSRH-UHFFFAOYSA-N 1 1 297.446 3.063 20 30 CGEDMO CC1(C)CC[N@@H+](CCNCc2ccc(C3(C#N)CC3)cc2)C1 ZINC000898034461 620470986 /nfs/dbraw/zinc/47/09/86/620470986.db2.gz PTRCEXWQJYFSRH-UHFFFAOYSA-N 1 1 297.446 3.063 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCCC(C)(C)C2)CC1 ZINC000989758090 620523614 /nfs/dbraw/zinc/52/36/14/620523614.db2.gz GKASZBMKLDICLI-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)C2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000989754722 620524029 /nfs/dbraw/zinc/52/40/29/620524029.db2.gz YKGFFGLEFHPHJK-HOTGVXAUSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)C3CCCC3)CCC[C@H]12 ZINC000989897476 620530263 /nfs/dbraw/zinc/53/02/63/620530263.db2.gz UKVDXIKJIGUDSX-WMZOPIPTSA-N 1 1 290.451 3.256 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)C[C@H]3C=CCC3)CCC[C@@H]12 ZINC000989943514 620533755 /nfs/dbraw/zinc/53/37/55/620533755.db2.gz XQZKZCBWOJNXIX-LZLYRXPVSA-N 1 1 288.435 3.032 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(Cl)c2C)C1 ZINC001014523335 620539589 /nfs/dbraw/zinc/53/95/89/620539589.db2.gz PCPWMPZUKQCXII-ZDUSSCGKSA-N 1 1 292.810 3.029 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)[C@@H](C)c2cccnc2)cc1 ZINC000787775860 620544143 /nfs/dbraw/zinc/54/41/43/620544143.db2.gz LZGAMYPCJUHYIW-AWEZNQCLSA-N 1 1 250.345 3.256 20 30 CGEDMO COc1ccccc1[C@@H](C)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902726693 621413931 /nfs/dbraw/zinc/41/39/31/621413931.db2.gz TUZFTDIRLJAZGC-CHWSQXEVSA-N 1 1 281.359 3.374 20 30 CGEDMO CC[C@@H](NC[C@@H](C)C[NH+]1CCCC1)c1cccc(C#N)c1 ZINC000902754843 621425564 /nfs/dbraw/zinc/42/55/64/621425564.db2.gz HLRUGDYNRMTTJK-CRAIPNDOSA-N 1 1 285.435 3.331 20 30 CGEDMO COc1cc(C)ccc1[C@@H](C)[NH2+]CC1(C#N)CCC1 ZINC000903031985 621534946 /nfs/dbraw/zinc/53/49/46/621534946.db2.gz OISZABWFKVWZGK-CYBMUJFWSA-N 1 1 258.365 3.348 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CCC1)c1ccnn1-c1ccccc1 ZINC000903031051 621535368 /nfs/dbraw/zinc/53/53/68/621535368.db2.gz AWMXTRXPBZAVBD-AWEZNQCLSA-N 1 1 280.375 3.217 20 30 CGEDMO C[C@@H](NC[C@H]1CC[N@H+]1C1CCCCC1)c1cc(C#N)ccn1 ZINC000903064111 621551955 /nfs/dbraw/zinc/55/19/55/621551955.db2.gz MFAFFXUTTAKYJY-RHSMWYFYSA-N 1 1 298.434 3.011 20 30 CGEDMO C[C@@H]([NH2+]C[C@H]1CCN1C1CCCCC1)c1cc(C#N)ccn1 ZINC000903064111 621551958 /nfs/dbraw/zinc/55/19/58/621551958.db2.gz MFAFFXUTTAKYJY-RHSMWYFYSA-N 1 1 298.434 3.011 20 30 CGEDMO C=C(C)C[NH+]1CCC(N[C@@H](c2ccccn2)C2CC2)CC1 ZINC000903090436 621567298 /nfs/dbraw/zinc/56/72/98/621567298.db2.gz BDLYWKCKZQLBDJ-GOSISDBHSA-N 1 1 285.435 3.163 20 30 CGEDMO COc1ccc2c(c1)[C@@H]([NH2+]CC(C)(C)C#N)CCS2 ZINC000903101247 621575081 /nfs/dbraw/zinc/57/50/81/621575081.db2.gz DIEJGRASLDUAOD-ZDUSSCGKSA-N 1 1 276.405 3.371 20 30 CGEDMO C#CC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccccc1 ZINC000903132557 621592609 /nfs/dbraw/zinc/59/26/09/621592609.db2.gz ZZMVHFJSASWHKV-QZNYNHHHSA-N 1 1 294.442 3.498 20 30 CGEDMO C#CC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000903132557 621592616 /nfs/dbraw/zinc/59/26/16/621592616.db2.gz ZZMVHFJSASWHKV-QZNYNHHHSA-N 1 1 294.442 3.498 20 30 CGEDMO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1cncs1 ZINC000903304718 621679189 /nfs/dbraw/zinc/67/91/89/621679189.db2.gz CPIKPYKUVBQBSD-VHSXEESVSA-N 1 1 273.361 3.132 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc([C@H]2CCCCS2)no1 ZINC000904637706 621949493 /nfs/dbraw/zinc/94/94/93/621949493.db2.gz BEXBOIBBGZPZMZ-GHMZBOCLSA-N 1 1 267.398 3.384 20 30 CGEDMO Cc1cc2oc(=O)cc(C[NH+]3CCC(C#N)CC3)c2cc1C ZINC000057907406 622891654 /nfs/dbraw/zinc/89/16/54/622891654.db2.gz JSMNBQFLOABXPA-UHFFFAOYSA-N 1 1 296.370 3.145 20 30 CGEDMO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1CC1CCC(C#N)CC1 ZINC000929790076 623647129 /nfs/dbraw/zinc/64/71/29/623647129.db2.gz HVGPIDJPYGNBSW-NRXISQOPSA-N 1 1 292.423 3.122 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2C)[C@@H]1C ZINC000992982098 623770631 /nfs/dbraw/zinc/77/06/31/623770631.db2.gz MGJUFYUWDLNBEX-UONOGXRCSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)CC2CCCC2)[C@H]1C ZINC000992990260 623772333 /nfs/dbraw/zinc/77/23/33/623772333.db2.gz ZRFRVQMTVJMZSE-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C2CCCCCC2)[C@H]1C ZINC000993129213 623858330 /nfs/dbraw/zinc/85/83/30/623858330.db2.gz XEGRVHMXYKWVPJ-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CC1(Cl)Cl ZINC000914799266 623861740 /nfs/dbraw/zinc/86/17/40/623861740.db2.gz REPZJPLKXCXPLQ-LBPRGKRZSA-N 1 1 269.175 3.184 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2sccc2F)[C@@H]1C ZINC000993263896 623997588 /nfs/dbraw/zinc/99/75/88/623997588.db2.gz KYIYDGMLHWUZHK-WCQYABFASA-N 1 1 296.411 3.046 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)cs2)[C@H]1C ZINC000993303934 624002349 /nfs/dbraw/zinc/00/23/49/624002349.db2.gz AHPPPZVFLMLGPU-ZIAGYGMSSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccsc2C)[C@@H]1C ZINC000993329625 624027810 /nfs/dbraw/zinc/02/78/10/624027810.db2.gz QUDZGHXOPYDMHD-SWLSCSKDSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2sc(C)cc2C)[C@H]1C ZINC000993404846 624041871 /nfs/dbraw/zinc/04/18/71/624041871.db2.gz BHTVJHNFRSMRII-KGLIPLIRSA-N 1 1 292.448 3.134 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2cocc2C)[C@@H]1C ZINC000993701205 624058616 /nfs/dbraw/zinc/05/86/16/624058616.db2.gz MPVPLXLOXCPXIN-HOCLYGCPSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC3CC3)[C@H]2C)CC1 ZINC000993747114 624060598 /nfs/dbraw/zinc/06/05/98/624060598.db2.gz WLAZOCDKIMBNSK-WMLDXEAASA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C2(C)CC(=C)C2)[C@@H]1C ZINC000993793491 624062702 /nfs/dbraw/zinc/06/27/02/624062702.db2.gz UJDUPPUZNBYVQU-JKSUJKDBSA-N 1 1 290.451 3.278 20 30 CGEDMO C=Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC(=C)C)[C@@H]2C)cc1 ZINC000993830334 624064445 /nfs/dbraw/zinc/06/44/45/624064445.db2.gz XRDLNPHHYMFQGW-QAPCUYQASA-N 1 1 298.430 3.488 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C ZINC000917167070 624249159 /nfs/dbraw/zinc/24/91/59/624249159.db2.gz RLGGNZBBPGENJT-UHFFFAOYSA-N 1 1 291.782 3.047 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C ZINC000917167070 624249162 /nfs/dbraw/zinc/24/91/62/624249162.db2.gz RLGGNZBBPGENJT-UHFFFAOYSA-N 1 1 291.782 3.047 20 30 CGEDMO C=CCc1cc(OCC)cc(C[N@@H+](C)CC=C)c1O ZINC000155048524 624415840 /nfs/dbraw/zinc/41/58/40/624415840.db2.gz IJGWLZLKEPZMCG-UHFFFAOYSA-N 1 1 261.365 3.137 20 30 CGEDMO CC[N@@H+](CCc1ccccn1)Cc1ccccc1C#N ZINC000920257574 624463465 /nfs/dbraw/zinc/46/34/65/624463465.db2.gz FIRFOLZMZNDOHL-UHFFFAOYSA-N 1 1 265.360 3.018 20 30 CGEDMO C#CC[N@H+](CCC(=O)c1ccccc1)C1CCCC1 ZINC000182454113 625002855 /nfs/dbraw/zinc/00/28/55/625002855.db2.gz CJHCKKVXOGWMTF-UHFFFAOYSA-N 1 1 255.361 3.137 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2cccs2)CC1 ZINC000997931261 625775084 /nfs/dbraw/zinc/77/50/84/625775084.db2.gz XOBMJFXTYKFYCT-CQSZACIVSA-N 1 1 292.448 3.251 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](N(CC)C(=O)C2CC=CC2)CC1 ZINC000997974464 625779489 /nfs/dbraw/zinc/77/94/89/625779489.db2.gz FTSHTWRVYZUOBR-KRWDZBQOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCC2(C)C)CC1 ZINC001001052231 625889939 /nfs/dbraw/zinc/88/99/39/625889939.db2.gz PIJIIBINZYJRIV-INIZCTEOSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H]2CC[C@H](C)CC2)CC1 ZINC001001385133 625896232 /nfs/dbraw/zinc/89/62/32/625896232.db2.gz ATFYORPBMOEBEX-JCNLHEQBSA-N 1 1 290.451 3.137 20 30 CGEDMO C#Cc1cccc(C[NH2+]Cc2c(Cl)n[nH]c2C2CC2)c1 ZINC000922168737 625978786 /nfs/dbraw/zinc/97/87/86/625978786.db2.gz WCTWBKHUBDHJLY-UHFFFAOYSA-N 1 1 285.778 3.212 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)C[C@H]2CC[C@@H](C)C2)CC1 ZINC001003456820 625980086 /nfs/dbraw/zinc/98/00/86/625980086.db2.gz APPIOOSHFVHUPD-OCCSQVGLSA-N 1 1 298.858 3.146 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[NH2+][C@H](C)c1cscn1 ZINC000922242811 625989076 /nfs/dbraw/zinc/98/90/76/625989076.db2.gz WVOIOSBJEKBTHI-GFCCVEGCSA-N 1 1 271.389 3.482 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)C=C(C)C)CC1 ZINC001004322595 626037034 /nfs/dbraw/zinc/03/70/34/626037034.db2.gz SJRAJPTVDRBXDY-KRWDZBQOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2(C)CCC2)CC1 ZINC001004504989 626063944 /nfs/dbraw/zinc/06/39/44/626063944.db2.gz FJMNDFZYWJIFDB-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](F)CC)CC1 ZINC001004502983 626064076 /nfs/dbraw/zinc/06/40/76/626064076.db2.gz WFTINWPIHNNMTG-HOTGVXAUSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]Cc1c(C)noc1CC ZINC000922987998 626115973 /nfs/dbraw/zinc/11/59/73/626115973.db2.gz NMEUPEPJDAZUHV-UHFFFAOYSA-N 1 1 286.375 3.400 20 30 CGEDMO CCCCCCNC(=O)[C@H]1CCC[N@H+]([C@H](C)CCC#N)C1 ZINC000839475679 626354575 /nfs/dbraw/zinc/35/45/75/626354575.db2.gz DKSCQDJHAWMBEU-CVEARBPZSA-N 1 1 293.455 3.087 20 30 CGEDMO CCCC(CCC)=[NH+]n1cc(Br)cn1 ZINC000752747692 626437163 /nfs/dbraw/zinc/43/71/63/626437163.db2.gz SASGAEUEGGXPNO-UHFFFAOYSA-N 1 1 258.163 3.450 20 30 CGEDMO C[C@@H]1CC(N=Nc2nccc3sccc32)C[N@H+]1C1CC1 ZINC000753956768 626470176 /nfs/dbraw/zinc/47/01/76/626470176.db2.gz WJDYELDOIRWZBB-SNVBAGLBSA-N 1 1 286.404 3.321 20 30 CGEDMO CCCCCCCCNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000755078801 626599699 /nfs/dbraw/zinc/59/96/99/626599699.db2.gz RMOKKFNQEFRZIA-HZPDHXFCSA-N 1 1 297.487 3.471 20 30 CGEDMO C#CC[N@@H+](Cc1ccn(-c2cccc(F)c2)n1)C1CCCC1 ZINC000756912169 626740728 /nfs/dbraw/zinc/74/07/28/626740728.db2.gz KSGGVSNDKCEAAM-UHFFFAOYSA-N 1 1 297.377 3.389 20 30 CGEDMO C#CC[N@H+](Cc1ccn(-c2cccc(F)c2)n1)C1CCCC1 ZINC000756912169 626740729 /nfs/dbraw/zinc/74/07/29/626740729.db2.gz KSGGVSNDKCEAAM-UHFFFAOYSA-N 1 1 297.377 3.389 20 30 CGEDMO C#CC[N@@H+](Cc1cnn(Cc2ccccc2)c1)C1CCCC1 ZINC000757083737 626753634 /nfs/dbraw/zinc/75/36/34/626753634.db2.gz ABPYNJJGQGOEIQ-UHFFFAOYSA-N 1 1 293.414 3.309 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000839590278 626763805 /nfs/dbraw/zinc/76/38/05/626763805.db2.gz TYXJPFWAIPDOFP-SPWCGHHHSA-N 1 1 271.832 3.391 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000839668243 626773806 /nfs/dbraw/zinc/77/38/06/626773806.db2.gz ZTCMVBHMMGSJAM-MRXNPFEDSA-N 1 1 280.456 3.434 20 30 CGEDMO C[N@H+]1CCCC(N=Nc2ccc(OC(F)F)cc2)CC1 ZINC000758120673 626828623 /nfs/dbraw/zinc/82/86/23/626828623.db2.gz PLHURSPLBMTRHS-UHFFFAOYSA-N 1 1 283.322 3.172 20 30 CGEDMO Clc1cccc2c1CCCC2=NNc1cc[nH+]cc1 ZINC000758126553 626828895 /nfs/dbraw/zinc/82/88/95/626828895.db2.gz LFMUZMXRMGQHBY-UHFFFAOYSA-N 1 1 271.751 3.309 20 30 CGEDMO FC(F)CON=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000758900740 626864669 /nfs/dbraw/zinc/86/46/69/626864669.db2.gz ZXZOEBRDGLGGBG-GASCZTMLSA-N 1 1 294.345 3.451 20 30 CGEDMO Cc1ccc(F)c(N=NC2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000759664761 626912949 /nfs/dbraw/zinc/91/29/49/626912949.db2.gz MPCAFQSJUTZCSQ-NSHDSACASA-N 1 1 261.344 3.016 20 30 CGEDMO CC[N@@H+](CCC1CC1)Cc1ccc(OCC#N)cc1 ZINC000760884249 626999376 /nfs/dbraw/zinc/99/93/76/626999376.db2.gz FZBYXFMVMHWARD-UHFFFAOYSA-N 1 1 258.365 3.211 20 30 CGEDMO CC(C)CC1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000760921774 627002221 /nfs/dbraw/zinc/00/22/21/627002221.db2.gz SKVNHILGLNUMKF-UHFFFAOYSA-N 1 1 299.418 3.255 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000760932523 627003720 /nfs/dbraw/zinc/00/37/20/627003720.db2.gz FBVLLZXZODBRSR-GOSISDBHSA-N 1 1 288.435 3.044 20 30 CGEDMO C=CC[N@@H+](Cn1nc(C)c2ccc([N+](=O)[O-])cc21)C(C)C ZINC000761288524 627030557 /nfs/dbraw/zinc/03/05/57/627030557.db2.gz PGVKUJVPRJIKOW-UHFFFAOYSA-N 1 1 288.351 3.107 20 30 CGEDMO CC[N@@H+](C[C@H]1CC2(CC2)C(=O)O1)[C@H](C)c1ccc(C#N)cc1 ZINC000763672257 627172461 /nfs/dbraw/zinc/17/24/61/627172461.db2.gz NZQBHBQCAHJNJT-CZUORRHYSA-N 1 1 298.386 3.037 20 30 CGEDMO C=CCC(C)(C)C(=O)OCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000835602146 634555421 /nfs/dbraw/zinc/55/54/21/634555421.db2.gz QJBVGQARTHHNMM-AGUYFDCRSA-N 1 1 265.397 3.005 20 30 CGEDMO C#CC[N@H+](Cc1cccc(OC(F)(F)F)c1)C1CC1 ZINC000764683897 627218050 /nfs/dbraw/zinc/21/80/50/627218050.db2.gz SGPLDTNLCXKJBG-UHFFFAOYSA-N 1 1 269.266 3.183 20 30 CGEDMO C#CC[N@H+](Cc1cc(Cl)c(OC)c(OCC)c1)C1CC1 ZINC000764682756 627218241 /nfs/dbraw/zinc/21/82/41/627218241.db2.gz LUBCYSVAAHCYQO-UHFFFAOYSA-N 1 1 293.794 3.345 20 30 CGEDMO Fc1c(Cl)cccc1N=NC1CC[N@H+]2CCC[C@H]12 ZINC000765573341 627260333 /nfs/dbraw/zinc/26/03/33/627260333.db2.gz YRVJCCIHRPPHDE-GFCCVEGCSA-N 1 1 267.735 3.115 20 30 CGEDMO Cc1cc(C)c(N=NC2CC[N@H+]3CCC[C@@H]23)c(C)c1 ZINC000765581183 627260863 /nfs/dbraw/zinc/26/08/63/627260863.db2.gz OPIYJXJQUJANST-HNNXBMFYSA-N 1 1 257.381 3.248 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000766904271 627369111 /nfs/dbraw/zinc/36/91/11/627369111.db2.gz YBBXZTURUJEOGT-QGZVFWFLSA-N 1 1 256.393 3.303 20 30 CGEDMO C[C@@H]1CC(=NNC2CCCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000767378852 627403082 /nfs/dbraw/zinc/40/30/82/627403082.db2.gz VRPBBBCSLNRPPQ-OAHLLOKOSA-N 1 1 285.435 3.417 20 30 CGEDMO C[C@@H]1CC(=NNC2CCCC2)C[N@H+](Cc2ccccc2)C1 ZINC000767378852 627403087 /nfs/dbraw/zinc/40/30/87/627403087.db2.gz VRPBBBCSLNRPPQ-OAHLLOKOSA-N 1 1 285.435 3.417 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000877795243 635204342 /nfs/dbraw/zinc/20/43/42/635204342.db2.gz DEMSRHYKPFBXCU-OAHLLOKOSA-N 1 1 251.414 3.053 20 30 CGEDMO C#CCOc1ccc(C[N@H+](C)Cc2cccc(OC)c2)cc1 ZINC000768162366 627464205 /nfs/dbraw/zinc/46/42/05/627464205.db2.gz CRHUGULHCODYFT-UHFFFAOYSA-N 1 1 295.382 3.339 20 30 CGEDMO C[C@@H](C#N)C[N@H+](Cc1cc2c(cc1O)CCCC2)C1CC1 ZINC000768462489 627481032 /nfs/dbraw/zinc/48/10/32/627481032.db2.gz LYBIPVYAQIASGE-ZDUSSCGKSA-N 1 1 284.403 3.395 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](Cc1cc2c(cc1O)CCCC2)C1CC1 ZINC000768462489 627481035 /nfs/dbraw/zinc/48/10/35/627481035.db2.gz LYBIPVYAQIASGE-ZDUSSCGKSA-N 1 1 284.403 3.395 20 30 CGEDMO C=CC[N@H+](Cc1cc(OC)cc2c1O[C@H](C)C2)C(C)C ZINC000768548103 627485799 /nfs/dbraw/zinc/48/57/99/627485799.db2.gz WSUNSSHQGBWPSU-CYBMUJFWSA-N 1 1 275.392 3.415 20 30 CGEDMO C#CCOc1ccc(C[N@H+](CCOC)C2CCCC2)cc1 ZINC000768582973 627487902 /nfs/dbraw/zinc/48/79/02/627487902.db2.gz SQXNZKZVPONYSO-UHFFFAOYSA-N 1 1 287.403 3.090 20 30 CGEDMO C#CC[N@H+](Cc1cnn(C(C)C)c1)C1CCCCC1 ZINC000769145668 627525903 /nfs/dbraw/zinc/52/59/03/627525903.db2.gz MPXOYTXGJJMQDA-UHFFFAOYSA-N 1 1 259.397 3.232 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1-n1cncn1)C1CCCCC1 ZINC000769146400 627526107 /nfs/dbraw/zinc/52/61/07/627526107.db2.gz VGYODGKOSRATEM-UHFFFAOYSA-N 1 1 294.402 3.035 20 30 CGEDMO C#CC[N@H+](Cc1cnc(Cl)c(C)c1)C1CCCC1 ZINC000769529888 627562934 /nfs/dbraw/zinc/56/29/34/627562934.db2.gz HVRPARMEIYSDKH-UHFFFAOYSA-N 1 1 262.784 3.421 20 30 CGEDMO C[C@H]1CC(=NNCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000769809193 627580027 /nfs/dbraw/zinc/58/00/27/627580027.db2.gz YLGSVWLXJWJCIZ-LBPRGKRZSA-N 1 1 299.340 3.179 20 30 CGEDMO CCc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000769871427 627585502 /nfs/dbraw/zinc/58/55/02/627585502.db2.gz GQDMWXVZLZPMKG-JTQLQIEISA-N 1 1 287.338 3.407 20 30 CGEDMO C=CC[C@H]1[N@H+](C[C@H]2CC3(CC3)C(=O)O2)CCCC1(C)C ZINC000769952609 627591549 /nfs/dbraw/zinc/59/15/49/627591549.db2.gz DRYLLMAJGIGIJR-ZIAGYGMSSA-N 1 1 277.408 3.149 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(Cl)c2cccnc12 ZINC000769975683 627593830 /nfs/dbraw/zinc/59/38/30/627593830.db2.gz HBGNWYDBNMYRBD-NSHDSACASA-N 1 1 258.752 3.342 20 30 CGEDMO CCCCCCCC[N@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000770003728 627597442 /nfs/dbraw/zinc/59/74/42/627597442.db2.gz ZRLMDPSRFXFWQN-HNNXBMFYSA-N 1 1 289.485 3.246 20 30 CGEDMO Cc1cc(Br)cc(C=NNc2cc[nH+]cc2)c1 ZINC000773080248 627852231 /nfs/dbraw/zinc/85/22/31/627852231.db2.gz SBHICYOPUQRQPG-UHFFFAOYSA-N 1 1 290.164 3.020 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000773432366 627883275 /nfs/dbraw/zinc/88/32/75/627883275.db2.gz OVKZICSKXGLAJQ-CQSZACIVSA-N 1 1 282.428 3.284 20 30 CGEDMO CCOCCON=CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000774416281 627987097 /nfs/dbraw/zinc/98/70/97/627987097.db2.gz BWCTVVWXTBSXJM-UHFFFAOYSA-N 1 1 292.423 3.184 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000775179877 628069425 /nfs/dbraw/zinc/06/94/25/628069425.db2.gz SXOMELHBPDBUGV-CYBMUJFWSA-N 1 1 257.377 3.244 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000775182550 628069914 /nfs/dbraw/zinc/06/99/14/628069914.db2.gz CBUJWSXILOSIKM-LBPRGKRZSA-N 1 1 284.315 3.308 20 30 CGEDMO C#C[C@H]([NH2+]Cc1ccc(Oc2ccccc2)o1)[C@@H]1CCCO1 ZINC000775339941 628083722 /nfs/dbraw/zinc/08/37/22/628083722.db2.gz DUHRSQHISCEHDU-IRXDYDNUSA-N 1 1 297.354 3.342 20 30 CGEDMO C#CC[C@@H]([NH2+]Cc1ccsc1C(=O)OC)c1ccccc1 ZINC000775400681 628091983 /nfs/dbraw/zinc/09/19/83/628091983.db2.gz RHDDXUSIUTXUFR-OAHLLOKOSA-N 1 1 299.395 3.389 20 30 CGEDMO C[N@H+](Cc1ccc(N2CCCCC2)cc1)CC1(C#N)CC1 ZINC000775929376 628149474 /nfs/dbraw/zinc/14/94/74/628149474.db2.gz JFYHAMCIKSMMAG-UHFFFAOYSA-N 1 1 283.419 3.412 20 30 CGEDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)CC1(C#N)CC1 ZINC000775929376 628149478 /nfs/dbraw/zinc/14/94/78/628149478.db2.gz JFYHAMCIKSMMAG-UHFFFAOYSA-N 1 1 283.419 3.412 20 30 CGEDMO C#CCSCC[NH2+][C@@H](CCc1ccccc1)C(F)F ZINC000779412125 628411546 /nfs/dbraw/zinc/41/15/46/628411546.db2.gz JXCFEMSSMMSSOR-AWEZNQCLSA-N 1 1 283.387 3.209 20 30 CGEDMO C[C@H]1CCc2c(F)cccc2C1=NNc1cc[nH+]cc1 ZINC000779806575 628432782 /nfs/dbraw/zinc/43/27/82/628432782.db2.gz BBJGTZIYJOYCQT-NSHDSACASA-N 1 1 269.323 3.041 20 30 CGEDMO CC(=NNc1cc[nH+]cc1)c1cccc(Br)c1 ZINC000779809889 628433965 /nfs/dbraw/zinc/43/39/65/628433965.db2.gz WZOHYUSLGQSNNR-UHFFFAOYSA-N 1 1 290.164 3.102 20 30 CGEDMO CC(=NNc1cc[nH+]cc1)c1ccccc1C(F)(F)F ZINC000779810168 628434050 /nfs/dbraw/zinc/43/40/50/628434050.db2.gz XYYHOKWCYYHUSC-UHFFFAOYSA-N 1 1 279.265 3.358 20 30 CGEDMO Clc1ccc2c(C=NNc3cc[nH+]cc3)c[nH]c2c1 ZINC000779812020 628434580 /nfs/dbraw/zinc/43/45/80/628434580.db2.gz WJESMRBRTMRWDU-UHFFFAOYSA-N 1 1 270.723 3.084 20 30 CGEDMO CN1CCc2cc(C=[NH+]Nc3ccc4n[nH]cc4c3)ccc21 ZINC000779820455 628436036 /nfs/dbraw/zinc/43/60/36/628436036.db2.gz JCOGNXLZVOSXRL-UHFFFAOYSA-N 1 1 291.358 3.001 20 30 CGEDMO CC[C@H](C#N)OC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000781175473 628543575 /nfs/dbraw/zinc/54/35/75/628543575.db2.gz MRURQBKEBZELAI-MRXNPFEDSA-N 1 1 288.391 3.376 20 30 CGEDMO N#CCC1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000781928250 628606366 /nfs/dbraw/zinc/60/63/66/628606366.db2.gz VWRYZGYXFXYOKF-UHFFFAOYSA-N 1 1 293.754 3.374 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1C[C@@H](O)c1cccc(Cl)c1 ZINC000785996539 628906897 /nfs/dbraw/zinc/90/68/97/628906897.db2.gz DGEPXSQXLINAGU-LSDHHAIUSA-N 1 1 265.784 3.414 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000805839672 629014187 /nfs/dbraw/zinc/01/41/87/629014187.db2.gz RUCKMNHLXPRSJW-WCQYABFASA-N 1 1 264.394 3.060 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000787769245 629028963 /nfs/dbraw/zinc/02/89/63/629028963.db2.gz DEMJGDQBDSPEEN-CQSZACIVSA-N 1 1 259.397 3.124 20 30 CGEDMO C[C@H](C=NN1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000788928518 629090475 /nfs/dbraw/zinc/09/04/75/629090475.db2.gz KKPGYAJWBVCAEH-GFCCVEGCSA-N 1 1 299.340 3.042 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)CCc2ccc(CC)cc2)n1 ZINC000789332151 629124927 /nfs/dbraw/zinc/12/49/27/629124927.db2.gz MIBKXXGFSBTMSL-UHFFFAOYSA-N 1 1 295.430 3.143 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)CCCc2ccc(C)cc2)n1 ZINC000789329911 629124940 /nfs/dbraw/zinc/12/49/40/629124940.db2.gz TZOAJEHHLWWWTH-UHFFFAOYSA-N 1 1 295.430 3.279 20 30 CGEDMO CC(C)N(C)c1ccc(C=[NH+]Nc2ccc(C#N)cc2)cn1 ZINC000790157506 629187115 /nfs/dbraw/zinc/18/71/15/629187115.db2.gz DCHDSTPLAHORBK-UHFFFAOYSA-N 1 1 293.374 3.244 20 30 CGEDMO C=CC[C@@H]([NH2+]Cc1oc(C)nc1C)c1ccncc1 ZINC000862281439 629338559 /nfs/dbraw/zinc/33/85/59/629338559.db2.gz YYFPUSMONOWDPJ-CQSZACIVSA-N 1 1 257.337 3.093 20 30 CGEDMO C#CC[N@@H+](C)CCCOc1ccc2ccccc2c1 ZINC000792306050 629355959 /nfs/dbraw/zinc/35/59/59/629355959.db2.gz QVUPKXURIMIEQD-UHFFFAOYSA-N 1 1 253.345 3.174 20 30 CGEDMO CCCCCCCC[N@@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000792387157 629358078 /nfs/dbraw/zinc/35/80/78/629358078.db2.gz CFFUXUZHCLWVCB-HALDLXJZSA-N 1 1 259.459 3.188 20 30 CGEDMO CCCCCCCC[N@H+]1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000792387157 629358071 /nfs/dbraw/zinc/35/80/71/629358071.db2.gz CFFUXUZHCLWVCB-HALDLXJZSA-N 1 1 259.459 3.188 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2cncc3ccccc32)C1 ZINC000862445282 629377631 /nfs/dbraw/zinc/37/76/31/629377631.db2.gz PMNZFIMRFWBTFV-AWEZNQCLSA-N 1 1 250.345 3.080 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC000862444932 629378747 /nfs/dbraw/zinc/37/87/47/629378747.db2.gz JDGLZUREIKARHR-LLVKDONJSA-N 1 1 251.732 3.324 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ncc(C(C)(C)C)s2)C1 ZINC000862447009 629380065 /nfs/dbraw/zinc/38/00/65/629380065.db2.gz GEQZOODVCWZNPL-GFCCVEGCSA-N 1 1 262.422 3.286 20 30 CGEDMO C#CCCOc1ccc(C[N@H+](C)CC(O)(CC)CC)cc1 ZINC000862539536 629395051 /nfs/dbraw/zinc/39/50/51/629395051.db2.gz OMBUPQLPBRLYGU-UHFFFAOYSA-N 1 1 289.419 3.072 20 30 CGEDMO C=CCCCCCCNC(=O)NC[C@@H]1CCC[N@H+](CC)C1 ZINC000806004172 629402102 /nfs/dbraw/zinc/40/21/02/629402102.db2.gz KTASMJNBUDOQDY-INIZCTEOSA-N 1 1 295.471 3.154 20 30 CGEDMO Cc1cccc(N=NC2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000863162068 629486818 /nfs/dbraw/zinc/48/68/18/629486818.db2.gz RMOLZCCZBUDHSG-UHFFFAOYSA-N 1 1 280.375 3.064 20 30 CGEDMO C#CCC[N@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000794803810 629579541 /nfs/dbraw/zinc/57/95/41/629579541.db2.gz QEWINAIKUSBONR-IUODEOHRSA-N 1 1 297.320 3.491 20 30 CGEDMO C#CCC[N@@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000794803810 629579546 /nfs/dbraw/zinc/57/95/46/629579546.db2.gz QEWINAIKUSBONR-IUODEOHRSA-N 1 1 297.320 3.491 20 30 CGEDMO CCCCCCC[NH2+][C@@H](c1ncc[nH]1)c1cccnc1 ZINC000794813720 629581581 /nfs/dbraw/zinc/58/15/81/629581581.db2.gz CDWSPMAYZHLLTF-OAHLLOKOSA-N 1 1 272.396 3.454 20 30 CGEDMO C[C@@H](O[NH+]=C(N)CCC(F)(F)F)c1cccc(C#N)c1 ZINC000863490172 629590142 /nfs/dbraw/zinc/59/01/42/629590142.db2.gz IGVBIMMDUYMINM-SECBINFHSA-N 1 1 285.269 3.460 20 30 CGEDMO N#CC1(C[NH2+]C[C@@H](O)c2ccc(F)cc2F)CCCCC1 ZINC000863573292 629608031 /nfs/dbraw/zinc/60/80/31/629608031.db2.gz MWCKNMQULNVWLU-OAHLLOKOSA-N 1 1 294.345 3.062 20 30 CGEDMO COCCCO[NH+]=Cc1ccc(N2CCCCC2)s1 ZINC000795054691 629629321 /nfs/dbraw/zinc/62/93/21/629629321.db2.gz AFCLUHHZCIACLN-UHFFFAOYSA-N 1 1 282.409 3.125 20 30 CGEDMO CC1(C)CC[C@H](CO)[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000864053535 629749823 /nfs/dbraw/zinc/74/98/23/629749823.db2.gz LOXCZMHWDDWTFL-QGZVFWFLSA-N 1 1 298.430 3.225 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000796334170 629767780 /nfs/dbraw/zinc/76/77/80/629767780.db2.gz NQGHVBCENJQSHU-OLZOCXBDSA-N 1 1 281.362 3.450 20 30 CGEDMO CC#CC[N@H+](Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000796355274 629770750 /nfs/dbraw/zinc/77/07/50/629770750.db2.gz CXHWVKXGUASXMA-LJQANCHMSA-N 1 1 279.383 3.246 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)Cc1ccc(C(=O)OC)cc1 ZINC000796640299 629808997 /nfs/dbraw/zinc/80/89/97/629808997.db2.gz WOVIDKVRMSPCST-UHFFFAOYSA-N 1 1 293.366 3.109 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(C(=O)OC)cc1 ZINC000796640299 629809002 /nfs/dbraw/zinc/80/90/02/629809002.db2.gz WOVIDKVRMSPCST-UHFFFAOYSA-N 1 1 293.366 3.109 20 30 CGEDMO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000797878511 629994700 /nfs/dbraw/zinc/99/47/00/629994700.db2.gz YNTMUGGVRMFALA-MEBBXXQBSA-N 1 1 299.773 3.256 20 30 CGEDMO C=C(Cl)C[NH2+][C@H](C)c1ccnn1-c1ccccc1 ZINC000798929982 630125833 /nfs/dbraw/zinc/12/58/33/630125833.db2.gz HGLWWMLJRKBDBJ-GFCCVEGCSA-N 1 1 261.756 3.275 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000799190564 630155805 /nfs/dbraw/zinc/15/58/05/630155805.db2.gz RIIBHTWDTFFZEH-AWEZNQCLSA-N 1 1 281.334 3.082 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000799190564 630155806 /nfs/dbraw/zinc/15/58/06/630155806.db2.gz RIIBHTWDTFFZEH-AWEZNQCLSA-N 1 1 281.334 3.082 20 30 CGEDMO CCc1cccc(C)c1N=NC1CCC[N@@H+](C)CC1 ZINC000799493878 630190641 /nfs/dbraw/zinc/19/06/41/630190641.db2.gz TUPYUBSXIPERTR-UHFFFAOYSA-N 1 1 259.397 3.441 20 30 CGEDMO C[C@H](C#N)OCC[N@H+](Cc1ccco1)Cc1cccs1 ZINC000801910740 630364124 /nfs/dbraw/zinc/36/41/24/630364124.db2.gz WLMJAYQGZGPCEL-CYBMUJFWSA-N 1 1 290.388 3.272 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000801910740 630364126 /nfs/dbraw/zinc/36/41/26/630364126.db2.gz WLMJAYQGZGPCEL-CYBMUJFWSA-N 1 1 290.388 3.272 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000801912995 630364566 /nfs/dbraw/zinc/36/45/66/630364566.db2.gz LEEYVABEDPFBQF-LLVKDONJSA-N 1 1 286.297 3.066 20 30 CGEDMO CCC[N@@H+](CCO[C@@H](C)C#N)[C@H]1CCc2ccccc2C1 ZINC000801914819 630365848 /nfs/dbraw/zinc/36/58/48/630365848.db2.gz FNTMOAQNVHPYFZ-YJBOKZPZSA-N 1 1 286.419 3.185 20 30 CGEDMO COc1ccccc1[C@@H]1CCCC[N@H+]1CCO[C@H](C)C#N ZINC000801919020 630366072 /nfs/dbraw/zinc/36/60/72/630366072.db2.gz FWZUHYWUXLGEAO-ZBFHGGJFSA-N 1 1 288.391 3.151 20 30 CGEDMO Cc1cccc([C@H]2CCC[N@@H+]2CCO[C@@H](C)C#N)c1C ZINC000801922832 630366687 /nfs/dbraw/zinc/36/66/87/630366687.db2.gz PVQOZGXTRXBDSC-WMLDXEAASA-N 1 1 272.392 3.369 20 30 CGEDMO Cc1ccc([C@H]2CCCCC[N@@H+]2CCO[C@H](C)C#N)o1 ZINC000801922742 630366839 /nfs/dbraw/zinc/36/68/39/630366839.db2.gz OBXACBJVFGCJHG-HUUCEWRRSA-N 1 1 276.380 3.434 20 30 CGEDMO CC(C)C[C@H]1CCCCC[N@H+]1CCO[C@H](C)C#N ZINC000801922815 630367121 /nfs/dbraw/zinc/36/71/21/630367121.db2.gz PLTPSNXHUCTCQZ-HUUCEWRRSA-N 1 1 252.402 3.206 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000801922137 630367134 /nfs/dbraw/zinc/36/71/34/630367134.db2.gz GFBYUJANBSBWJQ-ZIAGYGMSSA-N 1 1 262.353 3.125 20 30 CGEDMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)CCO[C@@H](C)C#N ZINC000801924695 630367285 /nfs/dbraw/zinc/36/72/85/630367285.db2.gz YKTCFDIWMMLROS-DOTOQJQBSA-N 1 1 274.408 3.177 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000801924495 630367677 /nfs/dbraw/zinc/36/76/77/630367677.db2.gz PUXIAZHTXUYSIL-IOASZLSFSA-N 1 1 276.355 3.137 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000801924295 630368200 /nfs/dbraw/zinc/36/82/00/630368200.db2.gz MLPUSIPRJXNCRF-BXUZGUMPSA-N 1 1 264.756 3.015 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000801924295 630368202 /nfs/dbraw/zinc/36/82/02/630368202.db2.gz MLPUSIPRJXNCRF-BXUZGUMPSA-N 1 1 264.756 3.015 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@@H]1CCC1CCCC1 ZINC000801929179 630368571 /nfs/dbraw/zinc/36/85/71/630368571.db2.gz IFLXNGBCQRBJAT-GDBMZVCRSA-N 1 1 264.413 3.350 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+](Cc1cccc(F)c1)C1CCCC1 ZINC000801930945 630369199 /nfs/dbraw/zinc/36/91/99/630369199.db2.gz JFIUHEJXEHJGCF-AWEZNQCLSA-N 1 1 290.382 3.499 20 30 CGEDMO C=CCC[N@@H+](C)CN1C(=O)C2(CCC2)[C@@H]1c1ccccc1 ZINC000840050515 630537049 /nfs/dbraw/zinc/53/70/49/630537049.db2.gz CXYANRKOFVQYPO-INIZCTEOSA-N 1 1 284.403 3.206 20 30 CGEDMO C=CCC[N@H+](C)CN1C(=O)C2(CCC2)[C@@H]1c1ccccc1 ZINC000840050515 630537051 /nfs/dbraw/zinc/53/70/51/630537051.db2.gz CXYANRKOFVQYPO-INIZCTEOSA-N 1 1 284.403 3.206 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)CN1C(=O)CCC1(C)C ZINC000808143636 630626925 /nfs/dbraw/zinc/62/69/25/630626925.db2.gz BWFKOPXNYNJXTR-UHFFFAOYSA-N 1 1 286.419 3.076 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)CN1C(=O)CCC1(C)C ZINC000808143636 630626928 /nfs/dbraw/zinc/62/69/28/630626928.db2.gz BWFKOPXNYNJXTR-UHFFFAOYSA-N 1 1 286.419 3.076 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@]2(CO)CC(C)C)cc1 ZINC000809650987 630774804 /nfs/dbraw/zinc/77/48/04/630774804.db2.gz CWTADCVYFTXPHT-GOSISDBHSA-N 1 1 271.404 3.041 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCOc3ccc(C)cc3C2)cc1 ZINC000809703877 630786668 /nfs/dbraw/zinc/78/66/68/630786668.db2.gz RABXWAQTSBLVLR-UHFFFAOYSA-N 1 1 277.367 3.371 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)Cc1cccc(O)c1 ZINC000809716693 630789582 /nfs/dbraw/zinc/78/95/82/630789582.db2.gz RFBYHXBBSIGHCB-UHFFFAOYSA-N 1 1 251.329 3.028 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1cccc(O)c1 ZINC000809716693 630789587 /nfs/dbraw/zinc/78/95/87/630789587.db2.gz RFBYHXBBSIGHCB-UHFFFAOYSA-N 1 1 251.329 3.028 20 30 CGEDMO C#C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(C)(C)C ZINC000809783122 630807656 /nfs/dbraw/zinc/80/76/56/630807656.db2.gz RSPDQGPOYPQBQU-IBGZPJMESA-N 1 1 298.474 3.331 20 30 CGEDMO C#C[C@H](NC1CC[NH+](CCc2ccccc2)CC1)C(C)(C)C ZINC000809783122 630807661 /nfs/dbraw/zinc/80/76/61/630807661.db2.gz RSPDQGPOYPQBQU-IBGZPJMESA-N 1 1 298.474 3.331 20 30 CGEDMO C=CC[C@@H](C(=O)OC)[NH+]1CCC(c2ccsc2)CC1 ZINC000878457002 635516222 /nfs/dbraw/zinc/51/62/22/635516222.db2.gz BCMHSPMTWPELQH-AWEZNQCLSA-N 1 1 279.405 3.045 20 30 CGEDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)OCCCC(C)(C)C#N)C1 ZINC000811444258 631066239 /nfs/dbraw/zinc/06/62/39/631066239.db2.gz BICGQBCOOPHLJX-MRXNPFEDSA-N 1 1 298.402 3.072 20 30 CGEDMO CC[C@H](C)NN=C1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000811647910 631097509 /nfs/dbraw/zinc/09/75/09/631097509.db2.gz AOQZWZIOKRUTCO-UONOGXRCSA-N 1 1 259.397 3.025 20 30 CGEDMO CC[C@H](C)NN=C1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000811647910 631097512 /nfs/dbraw/zinc/09/75/12/631097512.db2.gz AOQZWZIOKRUTCO-UONOGXRCSA-N 1 1 259.397 3.025 20 30 CGEDMO C=C(C)CNN=C1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000811651627 631098722 /nfs/dbraw/zinc/09/87/22/631098722.db2.gz HTOMAXNZZNULIY-MSOLQXFVSA-N 1 1 297.446 3.440 20 30 CGEDMO CCC[N@@H+](CC)C[C@@H](C)Nc1cc(C#N)ccc1C(C)=O ZINC000811867006 631128232 /nfs/dbraw/zinc/12/82/32/631128232.db2.gz KMNXEAXEMSMCQG-CYBMUJFWSA-N 1 1 287.407 3.293 20 30 CGEDMO CCCNN=C1CCC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000814804410 631643570 /nfs/dbraw/zinc/64/35/70/631643570.db2.gz NZBYLXGXJUIVAU-CQSZACIVSA-N 1 1 259.397 3.027 20 30 CGEDMO CCCNN=C1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000814804410 631643572 /nfs/dbraw/zinc/64/35/72/631643572.db2.gz NZBYLXGXJUIVAU-CQSZACIVSA-N 1 1 259.397 3.027 20 30 CGEDMO CC(=[NH+]N[C@@H](C)c1ccccc1)c1cc([N+](=O)[O-])ccc1N ZINC000814814854 631647209 /nfs/dbraw/zinc/64/72/09/631647209.db2.gz BZUCGWUOWHETKA-NSHDSACASA-N 1 1 298.346 3.252 20 30 CGEDMO C#CCNC(=O)CC[N@@H+]1CCCCC[C@H]1c1cccc(C)c1 ZINC000815051110 631707538 /nfs/dbraw/zinc/70/75/38/631707538.db2.gz MYTRIBDOLDHOOX-SFHVURJKSA-N 1 1 298.430 3.052 20 30 CGEDMO C=CCOCC[N@@H+]1CCN(c2ccc(C)c(C)c2)C[C@H]1C ZINC000815057277 631709143 /nfs/dbraw/zinc/70/91/43/631709143.db2.gz NBXYCMZPKOZORW-QGZVFWFLSA-N 1 1 288.435 3.017 20 30 CGEDMO C#CCC[N@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000815110748 631719324 /nfs/dbraw/zinc/71/93/24/631719324.db2.gz DMNBANRGSMNQGK-CYBMUJFWSA-N 1 1 279.181 3.004 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000815110748 631719328 /nfs/dbraw/zinc/71/93/28/631719328.db2.gz DMNBANRGSMNQGK-CYBMUJFWSA-N 1 1 279.181 3.004 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCOC[C@@H]2CC2CCC2)cc1 ZINC000816667846 632041822 /nfs/dbraw/zinc/04/18/22/632041822.db2.gz YFTJGRSJCNOPRO-SFHVURJKSA-N 1 1 299.414 3.090 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCOC[C@H]2CC2CCC2)cc1 ZINC000816667845 632042143 /nfs/dbraw/zinc/04/21/43/632042143.db2.gz YFTJGRSJCNOPRO-GOSISDBHSA-N 1 1 299.414 3.090 20 30 CGEDMO C#CCCCCCC(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000818043274 632281385 /nfs/dbraw/zinc/28/13/85/632281385.db2.gz ASNPAXVBSGJNJV-UHFFFAOYSA-N 1 1 269.348 3.165 20 30 CGEDMO N#CC1(C[NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)CCC1 ZINC000819378205 632444458 /nfs/dbraw/zinc/44/44/58/632444458.db2.gz WWFXMVXJTRYBSY-CYBMUJFWSA-N 1 1 298.308 3.022 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)cc1 ZINC000822530087 632963978 /nfs/dbraw/zinc/96/39/78/632963978.db2.gz PTCMKHUKMWBZBK-IBGZPJMESA-N 1 1 295.426 3.449 20 30 CGEDMO CCCCCCCC[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000823027296 633051024 /nfs/dbraw/zinc/05/10/24/633051024.db2.gz HGESYLQHLJFBIG-HOTGVXAUSA-N 1 1 282.472 3.441 20 30 CGEDMO Cc1csc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)c1 ZINC000866367588 633104405 /nfs/dbraw/zinc/10/44/05/633104405.db2.gz LBOOWEZQJORNDH-NSHDSACASA-N 1 1 272.373 3.485 20 30 CGEDMO C=CCCCC[N@@H+]1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000823529748 633117874 /nfs/dbraw/zinc/11/78/74/633117874.db2.gz BRYRJAYUWSCTSN-HUUCEWRRSA-N 1 1 294.439 3.284 20 30 CGEDMO C[N@@H+](CCCC(C)(C)C#N)C[C@](C)(O)c1ccccc1 ZINC000823590230 633124693 /nfs/dbraw/zinc/12/46/93/633124693.db2.gz ANQIGYHODHWMGG-KRWDZBQOSA-N 1 1 274.408 3.156 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CC(C)(C)C[C@@H]1c1ccccc1 ZINC000823644178 633131250 /nfs/dbraw/zinc/13/12/50/633131250.db2.gz UERCQMLTEJBQCO-GDBMZVCRSA-N 1 1 272.392 3.388 20 30 CGEDMO C[N@H+](Cc1csc(C(C)(C)O)n1)CC(C)(C)CCC#N ZINC000825153675 633332916 /nfs/dbraw/zinc/33/29/16/633332916.db2.gz RHJJFYMOCBYKHF-UHFFFAOYSA-N 1 1 295.452 3.132 20 30 CGEDMO C[N@@H+](Cc1csc(C(C)(C)O)n1)CC(C)(C)CCC#N ZINC000825153675 633332919 /nfs/dbraw/zinc/33/29/19/633332919.db2.gz RHJJFYMOCBYKHF-UHFFFAOYSA-N 1 1 295.452 3.132 20 30 CGEDMO COc1cc([C@@H](C)[NH2+]CC(C)(C)C#N)ccc1F ZINC000122290583 633362456 /nfs/dbraw/zinc/36/24/56/633362456.db2.gz CZZUIIIUGBZUHC-SNVBAGLBSA-N 1 1 250.317 3.035 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](CF)C2)c(Br)c1 ZINC000880299293 635969533 /nfs/dbraw/zinc/96/95/33/635969533.db2.gz RMRIDZRYKTZOBH-NSHDSACASA-N 1 1 297.171 3.112 20 30 CGEDMO C=C[C@](C)(CCOC)C(=O)OCc1c(C)cc(C)[nH+]c1C ZINC000869479605 633450720 /nfs/dbraw/zinc/45/07/20/633450720.db2.gz VNZRBWWGDMFKGE-QGZVFWFLSA-N 1 1 291.391 3.279 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000827872579 633529237 /nfs/dbraw/zinc/52/92/37/633529237.db2.gz DOGSKEIZWCHQJB-DOTOQJQBSA-N 1 1 274.408 3.023 20 30 CGEDMO COc1cncc(/C=C/CC[N@@H+](CCC#N)CC(C)C)c1 ZINC000827936314 633536762 /nfs/dbraw/zinc/53/67/62/633536762.db2.gz JRDGZWXCSKSGGW-QPJJXVBHSA-N 1 1 287.407 3.365 20 30 CGEDMO C=CCCCC[N@H+]1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000828032458 633551718 /nfs/dbraw/zinc/55/17/18/633551718.db2.gz WCVZBUPSYIZTGU-GJZGRUSLSA-N 1 1 295.448 3.229 20 30 CGEDMO C=CCCCC[N@@H+]1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000828032458 633551723 /nfs/dbraw/zinc/55/17/23/633551723.db2.gz WCVZBUPSYIZTGU-GJZGRUSLSA-N 1 1 295.448 3.229 20 30 CGEDMO C=CCCCC[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000828059606 633555016 /nfs/dbraw/zinc/55/50/16/633555016.db2.gz VMNAFOHNZKYJIW-ROUUACIJSA-N 1 1 289.419 3.167 20 30 CGEDMO C=C(Br)C[NH2+]C1(c2ccccc2C)CC1 ZINC000829490493 633741300 /nfs/dbraw/zinc/74/13/00/633741300.db2.gz SUSAAZRLROGSML-UHFFFAOYSA-N 1 1 266.182 3.482 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](CCOc2ccccc2C(C)=O)C1 ZINC000829769126 633779194 /nfs/dbraw/zinc/77/91/94/633779194.db2.gz PEBWLYCTIDFQJF-INIZCTEOSA-N 1 1 285.387 3.003 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccn(-c3cccc(F)c3)n2)C1 ZINC000829778815 633782018 /nfs/dbraw/zinc/78/20/18/633782018.db2.gz HOUSJTSEEVKOEB-HNNXBMFYSA-N 1 1 297.377 3.247 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000829779474 633782243 /nfs/dbraw/zinc/78/22/43/633782243.db2.gz WEYCPBZPDBKWIG-CQSZACIVSA-N 1 1 297.427 3.440 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+]([C@H](C)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000829794066 633785945 /nfs/dbraw/zinc/78/59/45/633785945.db2.gz QOXZBFCYFSDDDX-KGLIPLIRSA-N 1 1 295.386 3.132 20 30 CGEDMO C#CC[C@H]1CCC[N@H+]([C@H](C)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000829794066 633785949 /nfs/dbraw/zinc/78/59/49/633785949.db2.gz QOXZBFCYFSDDDX-KGLIPLIRSA-N 1 1 295.386 3.132 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(C)nc2Cl)C1 ZINC000829815410 633795839 /nfs/dbraw/zinc/79/58/39/633795839.db2.gz LJZNYYBYBQOTNC-CYBMUJFWSA-N 1 1 262.784 3.279 20 30 CGEDMO Cc1cc(C)c(COc2cccc(OCC#N)c2)c(C)[nH+]1 ZINC000871756666 633853006 /nfs/dbraw/zinc/85/30/06/633853006.db2.gz UPVREOVKEIIWPP-UHFFFAOYSA-N 1 1 282.343 3.488 20 30 CGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCCC[C@@H]2C2CCC2)cc1 ZINC000830989222 633905515 /nfs/dbraw/zinc/90/55/15/633905515.db2.gz USOJIOCUNQQJHR-MSOLQXFVSA-N 1 1 284.403 3.246 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000832517604 634069913 /nfs/dbraw/zinc/06/99/13/634069913.db2.gz LTZFYFQPBAAHRL-IAQYHMDHSA-N 1 1 280.318 3.030 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000832517604 634069917 /nfs/dbraw/zinc/06/99/17/634069917.db2.gz LTZFYFQPBAAHRL-IAQYHMDHSA-N 1 1 280.318 3.030 20 30 CGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc([C@@H](C)SCC)no1 ZINC000872174492 634077870 /nfs/dbraw/zinc/07/78/70/634077870.db2.gz DTDFCKFYONQETN-HTQZYQBOSA-N 1 1 261.778 3.026 20 30 CGEDMO CCOC(C[N@@H+](Cc1ccc(C#N)cc1)C(C)C)OCC ZINC000123983777 634082406 /nfs/dbraw/zinc/08/24/06/634082406.db2.gz ZZHQKFFFKWQZGG-UHFFFAOYSA-N 1 1 290.407 3.168 20 30 CGEDMO CON=C1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]12 ZINC000834939041 634291004 /nfs/dbraw/zinc/29/10/04/634291004.db2.gz XFDHKRWLHFOZON-GDBMZVCRSA-N 1 1 258.365 3.063 20 30 CGEDMO CSc1ccc(N=NC2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000834999997 634307572 /nfs/dbraw/zinc/30/75/72/634307572.db2.gz ZTBGBQXZFCJTJY-NSHDSACASA-N 1 1 275.421 3.433 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000876627637 634870766 /nfs/dbraw/zinc/87/07/66/634870766.db2.gz SWYOURSQLBYRIA-INIZCTEOSA-N 1 1 273.424 3.183 20 30 CGEDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000876748251 634891672 /nfs/dbraw/zinc/89/16/72/634891672.db2.gz ZLTJTTXRAAKJFT-GXFFZTMASA-N 1 1 263.772 3.227 20 30 CGEDMO C[NH+](C)Cc1ccc(NC(=O)C#CC(C)(C)C)cc1Cl ZINC000837592434 634944574 /nfs/dbraw/zinc/94/45/74/634944574.db2.gz JDWCPZJNBJFHRR-UHFFFAOYSA-N 1 1 292.810 3.390 20 30 CGEDMO C=C(C)[C@@H](CC(=O)OC[C@H]1CCCC[N@H+]1C(C)C)OCC ZINC000837598680 634946300 /nfs/dbraw/zinc/94/63/00/634946300.db2.gz UYMJYUYNWVMXRU-HZPDHXFCSA-N 1 1 297.439 3.164 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccnc2c(C(=O)OC)cccc12 ZINC000877165964 635005113 /nfs/dbraw/zinc/00/51/13/635005113.db2.gz UEINWRMUXHZRIH-UHFFFAOYSA-N 1 1 284.359 3.029 20 30 CGEDMO C[C@@H]1CCCC[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877407888 635036382 /nfs/dbraw/zinc/03/63/82/635036382.db2.gz DYEPQEXTSGWGTM-LLVKDONJSA-N 1 1 263.772 3.229 20 30 CGEDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000877413852 635037802 /nfs/dbraw/zinc/03/78/02/635037802.db2.gz SDTNREFIDLKRLF-GXFFZTMASA-N 1 1 263.772 3.227 20 30 CGEDMO C#C[C@H](CC)N[C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877513319 635066278 /nfs/dbraw/zinc/06/62/78/635066278.db2.gz RBNHCXCNTUIPBG-LMMKCTJWSA-N 1 1 282.431 3.356 20 30 CGEDMO C#C[C@H](CC)N[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877513319 635066285 /nfs/dbraw/zinc/06/62/85/635066285.db2.gz RBNHCXCNTUIPBG-LMMKCTJWSA-N 1 1 282.431 3.356 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]2C(C)C)cc1 ZINC000840970404 635097425 /nfs/dbraw/zinc/09/74/25/635097425.db2.gz QDXCGUWQTCPNLB-SFHVURJKSA-N 1 1 283.415 3.305 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@@H](COC)CC1 ZINC000877577355 635099547 /nfs/dbraw/zinc/09/95/47/635099547.db2.gz WDZIPIFDXKAUPW-MRXNPFEDSA-N 1 1 251.414 3.319 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cnc1Cl)C1CC(C)(C)C1 ZINC000877584647 635102371 /nfs/dbraw/zinc/10/23/71/635102371.db2.gz IEAQNYAETJJGCL-UHFFFAOYSA-N 1 1 263.772 3.227 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)cnc1Cl)C1CC(C)(C)C1 ZINC000877584647 635102373 /nfs/dbraw/zinc/10/23/73/635102373.db2.gz IEAQNYAETJJGCL-UHFFFAOYSA-N 1 1 263.772 3.227 20 30 CGEDMO N#Cc1cnc(Cl)c(C[N@H+]2CC[C@H](C3CCC3)C2)c1 ZINC000877592518 635105079 /nfs/dbraw/zinc/10/50/79/635105079.db2.gz IACRANKMAWKSRU-ZDUSSCGKSA-N 1 1 275.783 3.229 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC[C@H](O)C[C@H]2c2ccccc2)cc1 ZINC000877672307 635141638 /nfs/dbraw/zinc/14/16/38/635141638.db2.gz BGRYQTMNVMNNLR-PMACEKPBSA-N 1 1 291.394 3.366 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1cnn(C(C)(C)C)c1 ZINC000877703649 635155446 /nfs/dbraw/zinc/15/54/46/635155446.db2.gz CCRDIQJJBTUOCG-UHFFFAOYSA-N 1 1 296.418 3.184 20 30 CGEDMO CCCNN=C1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000841618383 635198426 /nfs/dbraw/zinc/19/84/26/635198426.db2.gz DOISPUYVGUGADV-KRWDZBQOSA-N 1 1 271.408 3.342 20 30 CGEDMO CC(NNc1cccc(Br)[nH+]1)=C1CC1(F)F ZINC000841643199 635207446 /nfs/dbraw/zinc/20/74/46/635207446.db2.gz JWOYWPNNTFOZNS-ZETCQYMHSA-N 1 1 290.111 3.287 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@@](C)(C(F)(F)F)C2)cc1C#N ZINC000877811921 635215357 /nfs/dbraw/zinc/21/53/57/635215357.db2.gz CGYARAFLABFICI-CQSZACIVSA-N 1 1 298.308 3.341 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@]3(CCc4ccccc43)C2)n1 ZINC000877811314 635215492 /nfs/dbraw/zinc/21/54/92/635215492.db2.gz YXBGNYUWZHAGDB-LJQANCHMSA-N 1 1 289.382 3.043 20 30 CGEDMO CC1(C)OCc2cc(C[NH2+]CC3(C#N)CCC3)ccc2O1 ZINC000841898526 635250568 /nfs/dbraw/zinc/25/05/68/635250568.db2.gz MYQAIYJRUVJIGC-UHFFFAOYSA-N 1 1 286.375 3.115 20 30 CGEDMO N#CC1(CO[NH+]=C(N)CCCc2ccccc2)CCC1 ZINC000842026191 635258630 /nfs/dbraw/zinc/25/86/30/635258630.db2.gz JCMUTHYIPZGIEE-UHFFFAOYSA-N 1 1 271.364 3.202 20 30 CGEDMO C=CC[C@@H](C)[N@H+](C)Cc1cc(OC)c(OC)cc1C ZINC000877904584 635260989 /nfs/dbraw/zinc/26/09/89/635260989.db2.gz MGXDAJOYOYSJQL-CYBMUJFWSA-N 1 1 263.381 3.409 20 30 CGEDMO C=CC[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1Cl ZINC000877946225 635283045 /nfs/dbraw/zinc/28/30/45/635283045.db2.gz VHZIMBMSEOZBIQ-LLVKDONJSA-N 1 1 266.772 3.175 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000877955229 635287016 /nfs/dbraw/zinc/28/70/16/635287016.db2.gz HVZPUPDUUOGMHA-GJZGRUSLSA-N 1 1 288.439 3.149 20 30 CGEDMO CO[C@H]1C[C@@H](C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1 ZINC000878153220 635381853 /nfs/dbraw/zinc/38/18/53/635381853.db2.gz MILKJHWZILQMEG-RANZSIQMSA-N 1 1 284.403 3.183 20 30 CGEDMO C=CC[C@H](C)[N@@H+](C)Cc1nc([C@@H](C)OCC(C)C)no1 ZINC000878154119 635384147 /nfs/dbraw/zinc/38/41/47/635384147.db2.gz PYASWGQHBZREKJ-QWHCGFSZSA-N 1 1 281.400 3.200 20 30 CGEDMO C=CC[C@H](C)[N@H+](C)Cc1nc([C@@H](C)OCC(C)C)no1 ZINC000878154119 635384154 /nfs/dbraw/zinc/38/41/54/635384154.db2.gz PYASWGQHBZREKJ-QWHCGFSZSA-N 1 1 281.400 3.200 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CC[C@H](CN(CC)CC(F)(F)F)C1 ZINC000878162537 635387195 /nfs/dbraw/zinc/38/71/95/635387195.db2.gz NSBPJVFACCRBNR-CHWSQXEVSA-N 1 1 278.362 3.157 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@@H](C)[C@H]1C)c1ccccc1 ZINC000878165155 635389689 /nfs/dbraw/zinc/38/96/89/635389689.db2.gz SFOYJNKEDKUTRK-IIDMSEBBSA-N 1 1 284.403 3.157 20 30 CGEDMO N#CCC1(C[N@H+](Cc2ccccc2)CC2(O)CCCC2)CC1 ZINC000878193454 635407617 /nfs/dbraw/zinc/40/76/17/635407617.db2.gz BWCIZPSYBFSQOV-UHFFFAOYSA-N 1 1 298.430 3.488 20 30 CGEDMO C=CC[C@H](C)[N@@H+]1CCO[C@H](c2cccc(OC)c2)C1 ZINC000878196885 635409106 /nfs/dbraw/zinc/40/91/06/635409106.db2.gz BWUKEEFHDAIPDU-BBRMVZONSA-N 1 1 261.365 3.033 20 30 CGEDMO C=CC[C@@H](C)[N@@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000878274152 635440700 /nfs/dbraw/zinc/44/07/00/635440700.db2.gz WYHWMCBDRHXFEW-CYBMUJFWSA-N 1 1 255.365 3.473 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)OC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000842834227 635488360 /nfs/dbraw/zinc/48/83/60/635488360.db2.gz RXTGYJMQRRITCF-CABCVRRESA-N 1 1 267.413 3.252 20 30 CGEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCC=C(C)C1)c1ccccc1 ZINC000878548054 635552185 /nfs/dbraw/zinc/55/21/85/635552185.db2.gz FHOHRMQHBBKSEW-SFHVURJKSA-N 1 1 282.387 3.079 20 30 CGEDMO N#CCC1(C[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)CC1 ZINC000878625148 635576337 /nfs/dbraw/zinc/57/63/37/635576337.db2.gz MOJRLHWIXPPFKD-GOSISDBHSA-N 1 1 282.387 3.150 20 30 CGEDMO C#CCCCCC[N@H+](CC)[C@H]1CCOC(C)(C)C1 ZINC000878624337 635577162 /nfs/dbraw/zinc/57/71/62/635577162.db2.gz ASALPHPSIYPBCB-HNNXBMFYSA-N 1 1 251.414 3.460 20 30 CGEDMO C[N@@H+](C[C@@H]1CC(C)(C)OC1(C)C)CC(C)(C)C#N ZINC000878650689 635590656 /nfs/dbraw/zinc/59/06/56/635590656.db2.gz OYDSHEJQLGXQLK-LBPRGKRZSA-N 1 1 252.402 3.062 20 30 CGEDMO CC(C)[C@@H]1[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CC12CC=CC2 ZINC000843297158 635641422 /nfs/dbraw/zinc/64/14/22/635641422.db2.gz RRMDVQCSJTZSGU-ROUUACIJSA-N 1 1 296.414 3.268 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000843423225 635666969 /nfs/dbraw/zinc/66/69/69/635666969.db2.gz AKXJPOSQZDGRKL-AWEZNQCLSA-N 1 1 294.439 3.025 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc2c(o1)CCCC2 ZINC000878992198 635675481 /nfs/dbraw/zinc/67/54/81/635675481.db2.gz UJOUXDQHGLYWSF-BETUJISGSA-N 1 1 258.365 3.236 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@H]1[C@@H](O)c1ccccc1 ZINC000879239554 635731244 /nfs/dbraw/zinc/73/12/44/635731244.db2.gz CWCCSHDMFIAYTJ-OALUTQOASA-N 1 1 292.382 3.256 20 30 CGEDMO C[N@H+](C[C@@H](O)c1cc2ccccc2o1)[C@H]1CCC[C@H]1C#N ZINC000879310497 635752396 /nfs/dbraw/zinc/75/23/96/635752396.db2.gz UDXDALCBWCDCPJ-SOUVJXGZSA-N 1 1 284.359 3.090 20 30 CGEDMO C[N@@H+](C[C@@H](O)c1cc2ccccc2o1)[C@H]1CCC[C@H]1C#N ZINC000879310497 635752401 /nfs/dbraw/zinc/75/24/01/635752401.db2.gz UDXDALCBWCDCPJ-SOUVJXGZSA-N 1 1 284.359 3.090 20 30 CGEDMO C=C(CC)C[N@@H+]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC000879633204 635822665 /nfs/dbraw/zinc/82/26/65/635822665.db2.gz FDVMJYLYFBYGLR-MRXNPFEDSA-N 1 1 261.365 3.035 20 30 CGEDMO C=C(CC)C[N@H+]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC000879633204 635822668 /nfs/dbraw/zinc/82/26/68/635822668.db2.gz FDVMJYLYFBYGLR-MRXNPFEDSA-N 1 1 261.365 3.035 20 30 CGEDMO C=CCc1cc(C[NH2+]Cc2ccco2)cc(OC)c1OC ZINC000105478272 635834852 /nfs/dbraw/zinc/83/48/52/635834852.db2.gz HZELGZVCUYRQJV-UHFFFAOYSA-N 1 1 287.359 3.315 20 30 CGEDMO C=CCCC[C@@H](C)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844372110 635883813 /nfs/dbraw/zinc/88/38/13/635883813.db2.gz UXWFYKHGMGENSB-RHSMWYFYSA-N 1 1 272.392 3.268 20 30 CGEDMO FC(F)C(F)(F)C[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000844382997 635887114 /nfs/dbraw/zinc/88/71/14/635887114.db2.gz BOVHTBVVDYZUHF-UHFFFAOYSA-N 1 1 297.189 3.253 20 30 CGEDMO C[C@]1(C(F)(F)F)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000880002461 635895091 /nfs/dbraw/zinc/89/50/91/635895091.db2.gz KWOWESFAMBLSMI-AWEZNQCLSA-N 1 1 285.284 3.452 20 30 CGEDMO C[C@]1(C(F)(F)F)CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000880002461 635895093 /nfs/dbraw/zinc/89/50/93/635895093.db2.gz KWOWESFAMBLSMI-AWEZNQCLSA-N 1 1 285.284 3.452 20 30 CGEDMO Cc1csc([C@@H]2CC[N@@H+](CCC(C)(C)C#N)C2)n1 ZINC000880010088 635898325 /nfs/dbraw/zinc/89/83/25/635898325.db2.gz UGZZFUOQAFKZOI-GFCCVEGCSA-N 1 1 263.410 3.181 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844437993 635901281 /nfs/dbraw/zinc/90/12/81/635901281.db2.gz AAOHHEFTQJHASX-HNNXBMFYSA-N 1 1 292.329 3.188 20 30 CGEDMO C#CCCCCC[N@H+]1CC[C@H](C(F)(F)F)O[C@H](C)C1 ZINC000880065537 635907044 /nfs/dbraw/zinc/90/70/44/635907044.db2.gz VSRKIJBZXAHLBX-CHWSQXEVSA-N 1 1 277.330 3.222 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](CF)C2)c(OC(F)F)c1 ZINC000880233803 635945357 /nfs/dbraw/zinc/94/53/57/635945357.db2.gz MVDPEQDCRBVPHW-GFCCVEGCSA-N 1 1 298.308 3.341 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](CF)C2)c(OC(F)F)c1 ZINC000880233803 635945361 /nfs/dbraw/zinc/94/53/61/635945361.db2.gz MVDPEQDCRBVPHW-GFCCVEGCSA-N 1 1 298.308 3.341 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@@H](c3nccs3)C2)cc1C#N ZINC000880320831 635974756 /nfs/dbraw/zinc/97/47/56/635974756.db2.gz ZNWVBBKBZDJWKH-CYBMUJFWSA-N 1 1 299.399 3.013 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCCSC[C@H]1c1ccccc1 ZINC000880388373 635991224 /nfs/dbraw/zinc/99/12/24/635991224.db2.gz QHFBLPUTGBMWKI-SJORKVTESA-N 1 1 291.460 3.494 20 30 CGEDMO C=CCCC[C@@H]([NH2+]Cc1ncnn1C)c1ccccc1 ZINC000880387537 635991507 /nfs/dbraw/zinc/99/15/07/635991507.db2.gz BSWSPTRWNLJEEP-OAHLLOKOSA-N 1 1 270.380 3.002 20 30 CGEDMO CC[N@H+](Cc1ccc(C#N)cc1F)[C@H](CO)c1ccccc1 ZINC000880459042 636003658 /nfs/dbraw/zinc/00/36/58/636003658.db2.gz AXKLBLPSTRFXJY-GOSISDBHSA-N 1 1 298.361 3.253 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)cc1F)[C@H](CO)c1ccccc1 ZINC000880459042 636003659 /nfs/dbraw/zinc/00/36/59/636003659.db2.gz AXKLBLPSTRFXJY-GOSISDBHSA-N 1 1 298.361 3.253 20 30 CGEDMO CC[N@@H+](CC#Cc1ccccc1)[C@H](CO)c1ccccc1 ZINC000880460916 636004565 /nfs/dbraw/zinc/00/45/65/636004565.db2.gz ALMDATGJEBPIKH-LJQANCHMSA-N 1 1 279.383 3.094 20 30 CGEDMO CC[N@H+](Cc1cc(F)ccc1C#N)[C@H](CO)c1ccccc1 ZINC000880463062 636006004 /nfs/dbraw/zinc/00/60/04/636006004.db2.gz ZPFJIIJGKKULGU-GOSISDBHSA-N 1 1 298.361 3.253 20 30 CGEDMO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H](CO)c1ccccc1 ZINC000880463062 636006008 /nfs/dbraw/zinc/00/60/08/636006008.db2.gz ZPFJIIJGKKULGU-GOSISDBHSA-N 1 1 298.361 3.253 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCC[C@@H](C3CCOCC3)C2)o1 ZINC000880577385 636025944 /nfs/dbraw/zinc/02/59/44/636025944.db2.gz KCDKOVJLCJFAGI-OAHLLOKOSA-N 1 1 288.391 3.180 20 30 CGEDMO C=CCC(C)(C)C(=O)OC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000845727460 636086413 /nfs/dbraw/zinc/08/64/13/636086413.db2.gz BIGTWSRZOCCRII-LBPRGKRZSA-N 1 1 253.386 3.005 20 30 CGEDMO C=CC[C@H]1CC[C@H]([NH2+][C@@H](C)C(=O)OC2CCCC2)C1 ZINC000845963118 636124871 /nfs/dbraw/zinc/12/48/71/636124871.db2.gz KZFJCGGXOFCYJA-IHRRRGAJSA-N 1 1 265.397 3.195 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H](OC(C)C)C2)cc1 ZINC000846013338 636129297 /nfs/dbraw/zinc/12/92/97/636129297.db2.gz ALTUJUFSSQRFAR-KRWDZBQOSA-N 1 1 257.377 3.057 20 30 CGEDMO CC[N@@H+](CCCNC(=O)C#CC(C)(C)C)C1CCCCC1 ZINC000846371123 636179530 /nfs/dbraw/zinc/17/95/30/636179530.db2.gz YLFVQHUTAFPRNW-UHFFFAOYSA-N 1 1 292.467 3.197 20 30 CGEDMO Cc1cc(C#N)ccc1N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000846749210 636222420 /nfs/dbraw/zinc/22/24/20/636222420.db2.gz BYOBTOZBPQWLQD-SJORKVTESA-N 1 1 283.419 3.318 20 30 CGEDMO C=CCN(C(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)C(C)C ZINC000846810698 636247938 /nfs/dbraw/zinc/24/79/38/636247938.db2.gz GPGZNKOORCLSAG-OAHLLOKOSA-N 1 1 294.826 3.366 20 30 CGEDMO CCc1ccc2c(C[NH2+][C@@H](CC)CC#N)cc(=O)oc2c1 ZINC000846993551 636302457 /nfs/dbraw/zinc/30/24/57/636302457.db2.gz OEBCQCPQDAKLFR-AWEZNQCLSA-N 1 1 284.359 3.137 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]C[C@H](O)c1ccccc1C(F)(F)F ZINC000846994412 636304124 /nfs/dbraw/zinc/30/41/24/636304124.db2.gz QYFYIQRNPGBTAP-GWCFXTLKSA-N 1 1 286.297 3.021 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000847018318 636311575 /nfs/dbraw/zinc/31/15/75/636311575.db2.gz JAMYJWGLHCJKGH-OXQOHEQNSA-N 1 1 293.410 3.088 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000847020879 636313131 /nfs/dbraw/zinc/31/31/31/636313131.db2.gz FJIDRONFWSVXIK-LPHOPBHVSA-N 1 1 299.414 3.090 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000847022087 636313931 /nfs/dbraw/zinc/31/39/31/636313931.db2.gz FLKXUNRAKFIZSJ-ZDUSSCGKSA-N 1 1 283.400 3.050 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000847022087 636313933 /nfs/dbraw/zinc/31/39/33/636313933.db2.gz FLKXUNRAKFIZSJ-ZDUSSCGKSA-N 1 1 283.400 3.050 20 30 CGEDMO C#C[C@H]1CCC[N@@H+]([C@@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000847022168 636314285 /nfs/dbraw/zinc/31/42/85/636314285.db2.gz FTONWDQCWKJAAV-KBPBESRZSA-N 1 1 281.359 3.143 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000847022168 636314289 /nfs/dbraw/zinc/31/42/89/636314289.db2.gz FTONWDQCWKJAAV-KBPBESRZSA-N 1 1 281.359 3.143 20 30 CGEDMO C=CCn1c(C)nn(C[N@H+]2CCC[C@H]2CC(C)C)c1=S ZINC000129614968 636321203 /nfs/dbraw/zinc/32/12/03/636321203.db2.gz AABOFOMDJALEKB-AWEZNQCLSA-N 1 1 294.468 3.377 20 30 CGEDMO C=CCn1c(C)nn(C[N@@H+]2CCC[C@H]2CC(C)C)c1=S ZINC000129614968 636321207 /nfs/dbraw/zinc/32/12/07/636321207.db2.gz AABOFOMDJALEKB-AWEZNQCLSA-N 1 1 294.468 3.377 20 30 CGEDMO C[C@@H](CCC#N)[NH2+][C@@H](Cc1ccccc1)c1ncco1 ZINC000847099867 636336248 /nfs/dbraw/zinc/33/62/48/636336248.db2.gz UYDKGKNVFMGEJR-ZFWWWQNUSA-N 1 1 269.348 3.240 20 30 CGEDMO CCCCCCCC(=O)OCC[C@@H]1CC[N@@H+](C)C1 ZINC000847826457 636462004 /nfs/dbraw/zinc/46/20/04/636462004.db2.gz ADNOHJUMRPVASN-AWEZNQCLSA-N 1 1 255.402 3.232 20 30 CGEDMO CCC(CC)CNN=C1CCC[N@H+]2CCCC[C@@H]12 ZINC000848408875 636569490 /nfs/dbraw/zinc/56/94/90/636569490.db2.gz DMVHPDHITPATGU-HNNXBMFYSA-N 1 1 251.418 3.017 20 30 CGEDMO Cc1ccn(C[N@H+]2CCC[C@H]2CC2CCCC2)c(=O)c1C#N ZINC000848504869 636582049 /nfs/dbraw/zinc/58/20/49/636582049.db2.gz GPFCKEXZMSYYHS-INIZCTEOSA-N 1 1 299.418 3.031 20 30 CGEDMO C=CCC[C@@H]([NH2+]C1CC(N2CCCCC2)C1)[C@@H]1CCCO1 ZINC000883220160 636594114 /nfs/dbraw/zinc/59/41/14/636594114.db2.gz FKZDLXKRTGZYHJ-HIEASXQVSA-N 1 1 292.467 3.107 20 30 CGEDMO Cc1cccc(-c2noc([C@H]([NH3+])CCCCC#N)n2)c1F ZINC000848629042 636624357 /nfs/dbraw/zinc/62/43/57/636624357.db2.gz VQNAEAIJOUVFIH-GFCCVEGCSA-N 1 1 288.326 3.268 20 30 CGEDMO CCc1cccc(C[N@@H+](C)Cc2cccc(C#N)c2)c1O ZINC000848881220 636670642 /nfs/dbraw/zinc/67/06/42/636670642.db2.gz MGABOQDILPWISD-UHFFFAOYSA-N 1 1 280.371 3.458 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1cnc(Cl)n1C ZINC000848883456 636672420 /nfs/dbraw/zinc/67/24/20/636672420.db2.gz OAYXLGLGBLJPGP-UHFFFAOYSA-N 1 1 289.810 3.304 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(OC)c(OCCC)c2)C1 ZINC000848924035 636695166 /nfs/dbraw/zinc/69/51/66/636695166.db2.gz VERZIKWRILXSHB-HNNXBMFYSA-N 1 1 287.403 3.329 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cn(C)nc2C2CCCCC2)C1 ZINC000848923791 636695410 /nfs/dbraw/zinc/69/54/10/636695410.db2.gz JQYSFAKIGWAIBD-HNNXBMFYSA-N 1 1 285.435 3.313 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccccc2OCC=C)C1 ZINC000848924214 636695597 /nfs/dbraw/zinc/69/55/97/636695597.db2.gz XPFATZQJZGKMDA-OAHLLOKOSA-N 1 1 255.361 3.097 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(OC)c(COCC)c2)C1 ZINC000848924091 636695965 /nfs/dbraw/zinc/69/59/65/636695965.db2.gz NJEXECBSLUQKHW-HNNXBMFYSA-N 1 1 287.403 3.077 20 30 CGEDMO CC[C@H]1C[C@@H](C[N@H+]2Cc3ccc(C#N)cc3C2)CCO1 ZINC000848926486 636698871 /nfs/dbraw/zinc/69/88/71/636698871.db2.gz YSSDOIOOJBVEPB-YOEHRIQHSA-N 1 1 270.376 3.079 20 30 CGEDMO C[NH+](C)[C@@H]1CCC[C@@H](NCc2ccc(C3(C#N)CC3)cc2)C1 ZINC000850172739 636972841 /nfs/dbraw/zinc/97/28/41/636972841.db2.gz DEIZCQZLPIMLAJ-QZTJIDSGSA-N 1 1 297.446 3.204 20 30 CGEDMO C#CCCOc1ccc(C[NH2+][C@H](C)c2cscn2)cc1 ZINC000850359843 637028011 /nfs/dbraw/zinc/02/80/11/637028011.db2.gz SXFRISQTSICSPV-CYBMUJFWSA-N 1 1 286.400 3.396 20 30 CGEDMO C#CC[N@@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000136107787 637287569 /nfs/dbraw/zinc/28/75/69/637287569.db2.gz XJTUYIMOLOZIAY-UHFFFAOYSA-N 1 1 262.356 3.346 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)C[C@H](O)CC1(C#N)CCC1 ZINC000885938161 637321058 /nfs/dbraw/zinc/32/10/58/637321058.db2.gz UDXUFSBWTRGVKL-QGZVFWFLSA-N 1 1 284.403 3.119 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)C[C@@H]1C[C@@]12CCOC2 ZINC000885937577 637321648 /nfs/dbraw/zinc/32/16/48/637321648.db2.gz DCNODRPMZWYGCS-DLBZAZTESA-N 1 1 257.377 3.101 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)C[C@@H](O)CC1(C#N)CCC1 ZINC000885938160 637321731 /nfs/dbraw/zinc/32/17/31/637321731.db2.gz UDXUFSBWTRGVKL-KRWDZBQOSA-N 1 1 284.403 3.119 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H]1C[C@]12CCOC2 ZINC000885963736 637335211 /nfs/dbraw/zinc/33/52/11/637335211.db2.gz PXWCDHBKDSLKSC-WMZOPIPTSA-N 1 1 287.403 3.110 20 30 CGEDMO CC[N@@H+](CCc1cccs1)C[C@@H](O)CC1(C#N)CCC1 ZINC000885970581 637338180 /nfs/dbraw/zinc/33/81/80/637338180.db2.gz DLCKSRVQUCTSTP-AWEZNQCLSA-N 1 1 292.448 3.057 20 30 CGEDMO Cc1n[nH]c(C[NH2+][C@H](CCC#N)c2ccccc2)c1C ZINC000886040813 637382481 /nfs/dbraw/zinc/38/24/81/637382481.db2.gz DOVFACFVNUJONP-OAHLLOKOSA-N 1 1 268.364 3.161 20 30 CGEDMO CC[C@@H]1Cc2ccccc2C[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886138668 637432310 /nfs/dbraw/zinc/43/23/10/637432310.db2.gz QTOHFSYKPMDOLV-MSOLQXFVSA-N 1 1 298.430 3.268 20 30 CGEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(F)n2)C2CC2)cc1 ZINC000851738673 637485131 /nfs/dbraw/zinc/48/51/31/637485131.db2.gz NYASCVUUPZOMCP-UHFFFAOYSA-N 1 1 281.334 3.257 20 30 CGEDMO N#Cc1ccc(C[N@H+](Cc2cccc(F)n2)C2CC2)cc1 ZINC000851738673 637485132 /nfs/dbraw/zinc/48/51/32/637485132.db2.gz NYASCVUUPZOMCP-UHFFFAOYSA-N 1 1 281.334 3.257 20 30 CGEDMO C#CCOCC[N@@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000851922461 637545421 /nfs/dbraw/zinc/54/54/21/637545421.db2.gz AZNZPOJWFJTNNV-AWEZNQCLSA-N 1 1 297.320 3.145 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1cccc(F)c1OC(F)F ZINC000851987880 637564884 /nfs/dbraw/zinc/56/48/84/637564884.db2.gz YGBUPSXVITXNMC-UHFFFAOYSA-N 1 1 271.282 3.271 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1cccc(F)c1OC(F)F ZINC000851987880 637564890 /nfs/dbraw/zinc/56/48/90/637564890.db2.gz YGBUPSXVITXNMC-UHFFFAOYSA-N 1 1 271.282 3.271 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccccn1 ZINC000851997441 637567790 /nfs/dbraw/zinc/56/77/90/637567790.db2.gz KORILGODJKJYLT-GOSISDBHSA-N 1 1 282.387 3.193 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000852009526 637570966 /nfs/dbraw/zinc/57/09/66/637570966.db2.gz MPDXQIJXMMTIPK-QGZVFWFLSA-N 1 1 282.472 3.144 20 30 CGEDMO C=CCCC[C@@H](COc1ccccc1)[NH2+]Cc1ncccn1 ZINC000886638594 637623787 /nfs/dbraw/zinc/62/37/87/637623787.db2.gz XSDKUMWUSMCRKS-INIZCTEOSA-N 1 1 297.402 3.370 20 30 CGEDMO C[C@]1(C[N@H+]2CCC[C@@H](CC#N)C2)CC1(Cl)Cl ZINC000852319740 637632949 /nfs/dbraw/zinc/63/29/49/637632949.db2.gz RFBCXIUSHYSINE-WDEREUQCSA-N 1 1 261.196 3.196 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(N(C)C)c(C)c1)[C@H](C)COC ZINC000852356602 637641798 /nfs/dbraw/zinc/64/17/98/637641798.db2.gz JCBFBSOHZDMWNR-OAHLLOKOSA-N 1 1 276.424 3.084 20 30 CGEDMO C=CC[N@H+](Cc1ccc(N(C)CC)cc1)[C@@H](C)COC ZINC000852356422 637642646 /nfs/dbraw/zinc/64/26/46/637642646.db2.gz DPBQHHAFMQNMEY-HNNXBMFYSA-N 1 1 276.424 3.166 20 30 CGEDMO C#CCOc1ccc([C@@H](C)[NH2+]Cc2cc(C3CC3)no2)cc1 ZINC000886683077 637648264 /nfs/dbraw/zinc/64/82/64/637648264.db2.gz WPTQKQDTGOEXOA-CYBMUJFWSA-N 1 1 296.370 3.415 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](C[C@@H](O)c2c(F)cccc2F)C1 ZINC000852410466 637648530 /nfs/dbraw/zinc/64/85/30/637648530.db2.gz MKFWLURSWUDIKW-IUODEOHRSA-N 1 1 281.346 3.286 20 30 CGEDMO C#CCOc1ccc([C@H](C)[NH2+]Cc2cc(C3CC3)no2)cc1 ZINC000886683078 637648633 /nfs/dbraw/zinc/64/86/33/637648633.db2.gz WPTQKQDTGOEXOA-ZDUSSCGKSA-N 1 1 296.370 3.415 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000852411707 637649443 /nfs/dbraw/zinc/64/94/43/637649443.db2.gz UULRHQNRZZBZQV-OAHLLOKOSA-N 1 1 270.376 3.377 20 30 CGEDMO Cc1csc(C[C@H]2CCC[N@@H+](CCCCC#N)C2)n1 ZINC000886696135 637661540 /nfs/dbraw/zinc/66/15/40/637661540.db2.gz HJDZUFARJPJNPC-CQSZACIVSA-N 1 1 277.437 3.400 20 30 CGEDMO CCCCCCC[N@@H+]1CCn2c(nnc2C(C)(C)C)C1 ZINC000852741275 637703829 /nfs/dbraw/zinc/70/38/29/637703829.db2.gz PPZXROJOEUZALX-UHFFFAOYSA-N 1 1 278.444 3.362 20 30 CGEDMO CCCCCCC[N@H+]1CCn2c(nnc2C(C)(C)C)C1 ZINC000852741275 637703835 /nfs/dbraw/zinc/70/38/35/637703835.db2.gz PPZXROJOEUZALX-UHFFFAOYSA-N 1 1 278.444 3.362 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1ccc(C(F)F)cc1 ZINC000852749310 637706938 /nfs/dbraw/zinc/70/69/38/637706938.db2.gz VUXYCXJHCODPHS-UHFFFAOYSA-N 1 1 267.319 3.096 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(C(C)C)cc(=O)c2O)C1 ZINC000853518250 637860511 /nfs/dbraw/zinc/86/05/11/637860511.db2.gz LXJCBVBOIWYZIA-HNNXBMFYSA-N 1 1 299.414 3.111 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000853526586 637861373 /nfs/dbraw/zinc/86/13/73/637861373.db2.gz UFOUCHINQDOZKI-CYBMUJFWSA-N 1 1 270.376 3.007 20 30 CGEDMO C=CC[N@H+](Cn1ccc(-c2cccs2)n1)[C@@H](C)COC ZINC000853532611 637862237 /nfs/dbraw/zinc/86/22/37/637862237.db2.gz IIJWWWHVSWOZDK-ZDUSSCGKSA-N 1 1 291.420 3.092 20 30 CGEDMO C=CC[N@@H+](Cn1ccc(-c2cccs2)n1)[C@@H](C)COC ZINC000853532611 637862242 /nfs/dbraw/zinc/86/22/42/637862242.db2.gz IIJWWWHVSWOZDK-ZDUSSCGKSA-N 1 1 291.420 3.092 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cn2cc(C)cnc2=S)C1 ZINC000853536982 637863938 /nfs/dbraw/zinc/86/39/38/637863938.db2.gz LPYSMBCQJKCKME-CYBMUJFWSA-N 1 1 263.410 3.167 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](CN2CC3(CCCC3)CC2=O)C1 ZINC000853536598 637864184 /nfs/dbraw/zinc/86/41/84/637864184.db2.gz FKBYNVIHAHOXRC-OAHLLOKOSA-N 1 1 276.424 3.025 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cn2nccc2-c2ccncc2)C1 ZINC000853536383 637864320 /nfs/dbraw/zinc/86/43/20/637864320.db2.gz BNRRLXBNUCQERR-HNNXBMFYSA-N 1 1 282.391 3.191 20 30 CGEDMO CC(C)(C)[N@H+]1CC[C@@H](CNc2snc(Cl)c2C#N)C1 ZINC000853745865 637907835 /nfs/dbraw/zinc/90/78/35/637907835.db2.gz CBHYKMJNIUAVSZ-VIFPVBQESA-N 1 1 298.843 3.200 20 30 CGEDMO CC(C)c1cc(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)on1 ZINC000114509817 638374585 /nfs/dbraw/zinc/37/45/85/638374585.db2.gz NSSBJKBTUINENX-CYBMUJFWSA-N 1 1 299.374 3.379 20 30 CGEDMO C=CCC[C@@H](CC)[N@H+]1CCOc2ccc(N)cc2C1 ZINC000925753906 638598429 /nfs/dbraw/zinc/59/84/29/638598429.db2.gz SQIZXUJYEQOYLB-OAHLLOKOSA-N 1 1 260.381 3.208 20 30 CGEDMO C=CCCC[C@H](NC1CC[NH2+]CC1)c1ccccc1 ZINC000925765252 638601124 /nfs/dbraw/zinc/60/11/24/638601124.db2.gz MDFAOHFTXUEGOK-KRWDZBQOSA-N 1 1 258.409 3.426 20 30 CGEDMO C[C@@H](CC(C)(C)C#N)[NH2+][C@H]1COc2cc(F)cc(F)c21 ZINC000926141984 638720823 /nfs/dbraw/zinc/72/08/23/638720823.db2.gz GQNUQSFOFSZZOL-CABZTGNLSA-N 1 1 280.318 3.316 20 30 CGEDMO C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1cn(C)cn1 ZINC000926669586 638796606 /nfs/dbraw/zinc/79/66/06/638796606.db2.gz SSGLQZJOVQEHSJ-ZDUSSCGKSA-N 1 1 280.375 3.022 20 30 CGEDMO C[C@@H](C(=O)Nc1ccc(CCC#N)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000928406954 638881230 /nfs/dbraw/zinc/88/12/30/638881230.db2.gz ZUIHYUSZOFDTNF-ZNMIVQPWSA-N 1 1 299.418 3.343 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)Cc1cc(C)nnc1C ZINC000929162408 638903985 /nfs/dbraw/zinc/90/39/85/638903985.db2.gz LOAGFZKILJECDL-UHFFFAOYSA-N 1 1 267.376 3.282 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cc(C)nnc1C ZINC000929162408 638903986 /nfs/dbraw/zinc/90/39/86/638903986.db2.gz LOAGFZKILJECDL-UHFFFAOYSA-N 1 1 267.376 3.282 20 30 CGEDMO CCC[N@H+](Cc1nn(C)cc1C)Cc1ccc(C#N)cc1 ZINC000929271123 638913674 /nfs/dbraw/zinc/91/36/74/638913674.db2.gz VDJVGWWVNZAWKF-UHFFFAOYSA-N 1 1 282.391 3.012 20 30 CGEDMO CCC[N@@H+](Cc1nn(C)cc1C)Cc1ccc(C#N)cc1 ZINC000929271123 638913676 /nfs/dbraw/zinc/91/36/76/638913676.db2.gz VDJVGWWVNZAWKF-UHFFFAOYSA-N 1 1 282.391 3.012 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)CCC1 ZINC000929296236 638916499 /nfs/dbraw/zinc/91/64/99/638916499.db2.gz PCLVMMGLFGLYDK-OAHLLOKOSA-N 1 1 286.423 3.453 20 30 CGEDMO N#CC1(CCCC[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)CCC1 ZINC000929296236 638916501 /nfs/dbraw/zinc/91/65/01/638916501.db2.gz PCLVMMGLFGLYDK-OAHLLOKOSA-N 1 1 286.423 3.453 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)CCC1 ZINC000929296236 638916502 /nfs/dbraw/zinc/91/65/02/638916502.db2.gz PCLVMMGLFGLYDK-OAHLLOKOSA-N 1 1 286.423 3.453 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)CCOC1CCSCC1 ZINC000929780593 638950201 /nfs/dbraw/zinc/95/02/01/638950201.db2.gz PNVMDSXBDFQLML-UHFFFAOYSA-N 1 1 284.469 3.160 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)CCOC1CCSCC1 ZINC000929780593 638950204 /nfs/dbraw/zinc/95/02/04/638950204.db2.gz PNVMDSXBDFQLML-UHFFFAOYSA-N 1 1 284.469 3.160 20 30 CGEDMO CCN1CC[C@@H]([N@H+](C)CC2CCC(C#N)CC2)C[C@@H]1C ZINC000929779626 638950732 /nfs/dbraw/zinc/95/07/32/638950732.db2.gz GJCIRHLQQZNKRQ-ZGRYLRDCSA-N 1 1 277.456 3.121 20 30 CGEDMO CCN1CC[C@@H]([N@@H+](C)CC2CCC(C#N)CC2)C[C@@H]1C ZINC000929779626 638950734 /nfs/dbraw/zinc/95/07/34/638950734.db2.gz GJCIRHLQQZNKRQ-ZGRYLRDCSA-N 1 1 277.456 3.121 20 30 CGEDMO CC[N@@H+](CCc1ccccn1)CC1CCC(C#N)CC1 ZINC000929891470 638959632 /nfs/dbraw/zinc/95/96/32/638959632.db2.gz NDQHMALYNRJLMO-UHFFFAOYSA-N 1 1 271.408 3.276 20 30 CGEDMO COC(=O)[C@@H]([NH2+]CCCCC1(C#N)CCC1)C(C)(C)C ZINC000930022210 638969257 /nfs/dbraw/zinc/96/92/57/638969257.db2.gz GTPHXKTWGJJFTL-CYBMUJFWSA-N 1 1 280.412 3.028 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCOCC23CCC3)CCC1 ZINC000930065608 638971844 /nfs/dbraw/zinc/97/18/44/638971844.db2.gz RQJDWXPVHQRPBM-UHFFFAOYSA-N 1 1 262.397 3.105 20 30 CGEDMO C[C@H](O)C[C@@H]1CCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000930081244 638972768 /nfs/dbraw/zinc/97/27/68/638972768.db2.gz ITSMBHOJPRELIU-GJZGRUSLSA-N 1 1 264.413 3.086 20 30 CGEDMO CC[C@H](CSC)[N@@H+](C)CC1CCC(C#N)CC1 ZINC000930179243 638979730 /nfs/dbraw/zinc/97/97/30/638979730.db2.gz JICUJXLHPYFUDP-JXQTWKCFSA-N 1 1 254.443 3.390 20 30 CGEDMO CC(C)C[C@@]1(CO)CCC[N@H+]1CC1CCC(C#N)CC1 ZINC000930254977 638986682 /nfs/dbraw/zinc/98/66/82/638986682.db2.gz FGZUCADHRAKKQA-OFLPRAFFSA-N 1 1 278.440 3.189 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)CCC1 ZINC000930365804 638993101 /nfs/dbraw/zinc/99/31/01/638993101.db2.gz RMRVJYWBZPDAHO-CVEARBPZSA-N 1 1 276.424 3.494 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)c1 ZINC000930365600 638993246 /nfs/dbraw/zinc/99/32/46/638993246.db2.gz QUHKLXNPDAMDLX-HZPDHXFCSA-N 1 1 290.794 3.355 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CCCCC[C@H]2CCO)c1 ZINC000930370514 638993456 /nfs/dbraw/zinc/99/34/56/638993456.db2.gz HPKQGWIPKGQIFU-INIZCTEOSA-N 1 1 292.810 3.339 20 30 CGEDMO N#Cc1sc(NC[C@@H]2CC[N@H+]2C2CCCC2)nc1Cl ZINC000858781997 639021457 /nfs/dbraw/zinc/02/14/57/639021457.db2.gz ZACPVLLLEBSVRJ-JTQLQIEISA-N 1 1 296.827 3.097 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](C[C@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000930815444 639071482 /nfs/dbraw/zinc/07/14/82/639071482.db2.gz COYKDZAULAFPLR-MGPQQGTHSA-N 1 1 289.341 3.222 20 30 CGEDMO C=CC1(CC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)CCCCC1 ZINC000930943994 639089939 /nfs/dbraw/zinc/08/99/39/639089939.db2.gz CECFWOCEBWXFHS-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2c(F)cncc2F)C1 ZINC000930963655 639091760 /nfs/dbraw/zinc/09/17/60/639091760.db2.gz WELRWFJCCBNHGU-NSHDSACASA-N 1 1 252.308 3.148 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2c(F)cncc2F)C1 ZINC000930963655 639091766 /nfs/dbraw/zinc/09/17/66/639091766.db2.gz WELRWFJCCBNHGU-NSHDSACASA-N 1 1 252.308 3.148 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](C[C@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000931164622 639120893 /nfs/dbraw/zinc/12/08/93/639120893.db2.gz WELGCNPBFZBGMS-JHJVBQTASA-N 1 1 277.330 3.384 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCO[C@@H]3CCC[C@@H]32)CCC1 ZINC000931180772 639121789 /nfs/dbraw/zinc/12/17/89/639121789.db2.gz FGNATTGAULXYJX-LSDHHAIUSA-N 1 1 262.397 3.104 20 30 CGEDMO CCCCCCCC[N@@H+](C)Cc1c[nH]c(C)c(OC)c1=O ZINC000931327089 639134403 /nfs/dbraw/zinc/13/44/03/639134403.db2.gz XJPJAQQBLULNAI-UHFFFAOYSA-N 1 1 294.439 3.484 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000859444594 639141762 /nfs/dbraw/zinc/14/17/62/639141762.db2.gz ULHJBQFXGDSWFD-INIZCTEOSA-N 1 1 270.376 3.225 20 30 CGEDMO N#CCOc1ccc(C[N@@H+]2CCCC(F)(F)CC2)cc1 ZINC000859534406 639157493 /nfs/dbraw/zinc/15/74/93/639157493.db2.gz BAYUCLDGEKXEMJ-UHFFFAOYSA-N 1 1 280.318 3.210 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)cc1 ZINC000859583599 639167600 /nfs/dbraw/zinc/16/76/00/639167600.db2.gz USEJFXLPTBFVSI-IBGZPJMESA-N 1 1 292.382 3.042 20 30 CGEDMO C=CCCCN(CC)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000931558664 639171300 /nfs/dbraw/zinc/17/13/00/639171300.db2.gz WPOATPYEJVEZPM-UHFFFAOYSA-N 1 1 286.379 3.463 20 30 CGEDMO CC(C)(O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000931613541 639179598 /nfs/dbraw/zinc/17/95/98/639179598.db2.gz YYAAJRRRLQXLIQ-AWEZNQCLSA-N 1 1 292.810 3.195 20 30 CGEDMO CC[C@@]1(CCc2ccccc2)CCC[N@H+]1C[C@H](O)CC#N ZINC000931694330 639190263 /nfs/dbraw/zinc/19/02/63/639190263.db2.gz JQKGLBFLULNKCG-MSOLQXFVSA-N 1 1 286.419 3.138 20 30 CGEDMO Cc1ccccc1[C@H](CO)[N@@H+](C)CC1CCC(C#N)CC1 ZINC000931743931 639198624 /nfs/dbraw/zinc/19/86/24/639198624.db2.gz KJKRLKLMMLJDHC-HTWSVDAQSA-N 1 1 286.419 3.290 20 30 CGEDMO C#CCCCCCC[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000931748580 639200415 /nfs/dbraw/zinc/20/04/15/639200415.db2.gz BRYDDDKLXZHWLY-MRXNPFEDSA-N 1 1 271.408 3.240 20 30 CGEDMO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000859835838 639235145 /nfs/dbraw/zinc/23/51/45/639235145.db2.gz CSYYPWSKURJVMD-GFCCVEGCSA-N 1 1 280.318 3.209 20 30 CGEDMO N#CCc1cccc2c1CC[N@H+](CCCCCCCO)C2 ZINC000860106436 639282917 /nfs/dbraw/zinc/28/29/17/639282917.db2.gz JLKVETGDHZHFNM-UHFFFAOYSA-N 1 1 286.419 3.054 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000932352844 639319682 /nfs/dbraw/zinc/31/96/82/639319682.db2.gz UKGXQVVUKWQBQP-QGZVFWFLSA-N 1 1 292.386 3.206 20 30 CGEDMO C#CC[N@H+](CC(=O)Nc1c(C)cc(C)cc1Cl)C(C)C ZINC000932391403 639325235 /nfs/dbraw/zinc/32/52/35/639325235.db2.gz XXXWTSWHFOQNPV-UHFFFAOYSA-N 1 1 292.810 3.239 20 30 CGEDMO C#CC[N@@H+](CC(=O)Nc1c(C)cc(C)cc1Cl)C(C)C ZINC000932391403 639325246 /nfs/dbraw/zinc/32/52/46/639325246.db2.gz XXXWTSWHFOQNPV-UHFFFAOYSA-N 1 1 292.810 3.239 20 30 CGEDMO C#CC[N@H+](Cc1nc(-c2ccc(F)cc2)no1)C(C)(C)C ZINC000932466144 639337356 /nfs/dbraw/zinc/33/73/56/639337356.db2.gz TZKACKIKZAMCDX-UHFFFAOYSA-N 1 1 287.338 3.109 20 30 CGEDMO C#CC[N@@H+](Cc1nc(-c2ccc(F)cc2)no1)C(C)(C)C ZINC000932466144 639337360 /nfs/dbraw/zinc/33/73/60/639337360.db2.gz TZKACKIKZAMCDX-UHFFFAOYSA-N 1 1 287.338 3.109 20 30 CGEDMO C#CC[N@H+](CC(=O)Nc1ccc(F)cc1Cl)C(C)(C)C ZINC000932464793 639337374 /nfs/dbraw/zinc/33/73/74/639337374.db2.gz LVADFCZNUJNILW-UHFFFAOYSA-N 1 1 296.773 3.151 20 30 CGEDMO C#CC[N@@H+](CC(=O)Nc1ccc(F)cc1Cl)C(C)(C)C ZINC000932464793 639337381 /nfs/dbraw/zinc/33/73/81/639337381.db2.gz LVADFCZNUJNILW-UHFFFAOYSA-N 1 1 296.773 3.151 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000932710102 639376503 /nfs/dbraw/zinc/37/65/03/639376503.db2.gz CGSXKKVZLMRGLI-KBPBESRZSA-N 1 1 282.428 3.045 20 30 CGEDMO Cc1cccc(C)c1C[N@@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000933762682 639486466 /nfs/dbraw/zinc/48/64/66/639486466.db2.gz FONCWSUURPSDBX-MRXNPFEDSA-N 1 1 286.419 3.180 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000934458658 639612531 /nfs/dbraw/zinc/61/25/31/639612531.db2.gz BPAZNCLAKFVGLP-HUUCEWRRSA-N 1 1 294.439 3.284 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1nc(-c2ccc(OCC)cc2)no1 ZINC000934471290 639615671 /nfs/dbraw/zinc/61/56/71/639615671.db2.gz INUDJJZGBSJLOL-AWEZNQCLSA-N 1 1 299.374 3.286 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1nc(-c2ccc(OCC)cc2)no1 ZINC000934471290 639615679 /nfs/dbraw/zinc/61/56/79/639615679.db2.gz INUDJJZGBSJLOL-AWEZNQCLSA-N 1 1 299.374 3.286 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000934473079 639617519 /nfs/dbraw/zinc/61/75/19/639617519.db2.gz UKTVSIYDQMGKMC-WOSRLPQWSA-N 1 1 290.382 3.042 20 30 CGEDMO C=CCCC[N@@H+](CC)Cc1nc(CC(C)C)no1 ZINC000934650319 639651460 /nfs/dbraw/zinc/65/14/60/639651460.db2.gz JMIPQYSMFSDFHF-UHFFFAOYSA-N 1 1 251.374 3.056 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1nc(CC(C)C)no1 ZINC000934650319 639651469 /nfs/dbraw/zinc/65/14/69/639651469.db2.gz JMIPQYSMFSDFHF-UHFFFAOYSA-N 1 1 251.374 3.056 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000934831697 639683302 /nfs/dbraw/zinc/68/33/02/639683302.db2.gz JMFJKNWTGKOHOZ-MOPGFXCFSA-N 1 1 298.430 3.391 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000935116723 639752399 /nfs/dbraw/zinc/75/23/99/639752399.db2.gz AOBIJAQEMBEUOQ-KYJSFNMBSA-N 1 1 286.419 3.150 20 30 CGEDMO C#CC[N@H+](C[C@@H](O)c1cccc(Cl)c1)C1CCCC1 ZINC000155778653 639949100 /nfs/dbraw/zinc/94/91/00/639949100.db2.gz BPFAZGRIVUZDEH-MRXNPFEDSA-N 1 1 277.795 3.251 20 30 CGEDMO Cc1cccc(C[N@@H+](C)CCOc2ccc(C#N)cc2)c1 ZINC000048336947 640049199 /nfs/dbraw/zinc/04/91/99/640049199.db2.gz GZJGMXXGBDUBKR-UHFFFAOYSA-N 1 1 280.371 3.378 20 30 CGEDMO CCCCCCCCC[N@@H+](CC)[C@@H]1CCS(=O)(=O)C1 ZINC000192082351 640349139 /nfs/dbraw/zinc/34/91/39/640349139.db2.gz BBRNZSKEUHDJSQ-OAHLLOKOSA-N 1 1 289.485 3.246 20 30 CGEDMO CC[C@H]1CC[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000246465943 640675654 /nfs/dbraw/zinc/67/56/54/640675654.db2.gz OGSJSFHFMSIBDU-KGLIPLIRSA-N 1 1 258.365 3.209 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001008205121 640948000 /nfs/dbraw/zinc/94/80/00/640948000.db2.gz WWLZOUQTJSQLQA-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC001008278282 640949732 /nfs/dbraw/zinc/94/97/32/640949732.db2.gz CFOPXFUWXASIKB-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001009604897 640960568 /nfs/dbraw/zinc/96/05/68/640960568.db2.gz UPUUETNBCMFSLL-FUHWJXTLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2(C)CCCCCC2)C1 ZINC001014752398 640974930 /nfs/dbraw/zinc/97/49/30/640974930.db2.gz MPUWZWDQQKVUGB-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)c2ccc(C(C)(C)C)s2)C1 ZINC001016313034 640994702 /nfs/dbraw/zinc/99/47/02/640994702.db2.gz FCYXGECRTUHOHD-LBPRGKRZSA-N 1 1 292.448 3.036 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C(C)(C)C)s2)C1 ZINC001016313034 640994705 /nfs/dbraw/zinc/99/47/05/640994705.db2.gz FCYXGECRTUHOHD-LBPRGKRZSA-N 1 1 292.448 3.036 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001016361919 640997306 /nfs/dbraw/zinc/99/73/06/640997306.db2.gz JDEXXHCYRPKDIY-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC001017178624 641008497 /nfs/dbraw/zinc/00/84/97/641008497.db2.gz AMUWTLOXLGCUER-MRXNPFEDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)CCC[C@H]1CC ZINC001017663702 641014917 /nfs/dbraw/zinc/01/49/17/641014917.db2.gz WQDSLLLQIXWQIF-XLMAVXFVSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)CCC[C@H]1CC ZINC001017663702 641014924 /nfs/dbraw/zinc/01/49/24/641014924.db2.gz WQDSLLLQIXWQIF-XLMAVXFVSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H](C)C1 ZINC001017864711 641017487 /nfs/dbraw/zinc/01/74/87/641017487.db2.gz MNGGLMMLHGDQFI-LUKYLMHMSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H](C)C1 ZINC001017864711 641017492 /nfs/dbraw/zinc/01/74/92/641017492.db2.gz MNGGLMMLHGDQFI-LUKYLMHMSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[C@@H](C)C1 ZINC001017821743 641017531 /nfs/dbraw/zinc/01/75/31/641017531.db2.gz GYXVXEZWWVVQNA-TWMKSMIVSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)CCC[C@@H]1C ZINC001017904262 641018659 /nfs/dbraw/zinc/01/86/59/641018659.db2.gz HMIXARVBTWBIOO-LISAXSMJSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)CCC[C@@H]1C ZINC001017904262 641018664 /nfs/dbraw/zinc/01/86/64/641018664.db2.gz HMIXARVBTWBIOO-LISAXSMJSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC001155446348 805583805 /nfs/dbraw/zinc/58/38/05/805583805.db2.gz VGFBZTKMFUYXKE-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC12CCCC2 ZINC001156218884 805667138 /nfs/dbraw/zinc/66/71/38/805667138.db2.gz YABAQPHFABFDCA-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](CCCCC)C(C)C ZINC001156277476 805669826 /nfs/dbraw/zinc/66/98/26/805669826.db2.gz VORHELXPGBDBCR-SJORKVTESA-N 1 1 294.483 3.299 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)CC(C)C ZINC001156341543 805675563 /nfs/dbraw/zinc/67/55/63/805675563.db2.gz HXMOVYSSAZZLOC-LSDHHAIUSA-N 1 1 268.445 3.071 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cccc(OC)c2OCC2CC2)C1 ZINC001250530319 805678710 /nfs/dbraw/zinc/67/87/10/805678710.db2.gz JLJPLYJHIHZZRH-OAHLLOKOSA-N 1 1 299.414 3.329 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1c(C)cc(C)cc1C ZINC001156766889 805731720 /nfs/dbraw/zinc/73/17/20/805731720.db2.gz ASVWIPDMEAJXCQ-MRXNPFEDSA-N 1 1 288.435 3.238 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCCNc1[nH]ccc2ncc(C#N)c1-2 ZINC001156927428 805754368 /nfs/dbraw/zinc/75/43/68/805754368.db2.gz CYBFMUGGXFSGML-CYBMUJFWSA-N 1 1 297.406 3.111 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(C2CC2)cc1 ZINC001157063829 805771778 /nfs/dbraw/zinc/77/17/78/805771778.db2.gz XJZFGNUVXLCURG-CQSZACIVSA-N 1 1 286.419 3.190 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](CCCC)C(C)C ZINC001157158872 805786418 /nfs/dbraw/zinc/78/64/18/805786418.db2.gz OGHQFGBIYSGGEM-IAGOWNOFSA-N 1 1 294.483 3.299 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)C1CC(C(C)(C)C)C1 ZINC001157203646 805789952 /nfs/dbraw/zinc/78/99/52/805789952.db2.gz YZADKGWZNCWYKU-QQFBHYJXSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)C(=O)OCCNc1[nH+]ccc2cccc(C)c21 ZINC001157308350 805795959 /nfs/dbraw/zinc/79/59/59/805795959.db2.gz NPOZYDAKKPQQCH-UHFFFAOYSA-N 1 1 270.332 3.074 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)C1CCCC1 ZINC001157416980 805808522 /nfs/dbraw/zinc/80/85/22/805808522.db2.gz OXMFSDIOOSYLJI-OAHLLOKOSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C1CCCC1 ZINC001157416980 805808532 /nfs/dbraw/zinc/80/85/32/805808532.db2.gz OXMFSDIOOSYLJI-OAHLLOKOSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccccc1 ZINC001157465224 805818338 /nfs/dbraw/zinc/81/83/38/805818338.db2.gz SBDUQZRWPKIBPE-QGZVFWFLSA-N 1 1 286.419 3.189 20 30 CGEDMO CC(C)[NH+]1CC(Nc2nc3c(cc2C#N)CCCC3(C)C)C1 ZINC001157530134 805827936 /nfs/dbraw/zinc/82/79/36/805827936.db2.gz RQVWDMZTUFDPJJ-UHFFFAOYSA-N 1 1 298.434 3.072 20 30 CGEDMO Cc1c(Cl)c(Cl)nc(NC2C[NH+](C(C)C)C2)c1C#N ZINC001157526698 805828050 /nfs/dbraw/zinc/82/80/50/805828050.db2.gz WQPXKWWZIOXIGB-UHFFFAOYSA-N 1 1 299.205 3.073 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CCCC1 ZINC001157661590 805847894 /nfs/dbraw/zinc/84/78/94/805847894.db2.gz FLASANGSMVPJIO-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](CC)SC ZINC001157807049 805876628 /nfs/dbraw/zinc/87/66/28/805876628.db2.gz LNWRCBYOLXBEHH-CABCVRRESA-N 1 1 298.496 3.017 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC1(C)CCCC1 ZINC001157897647 805900888 /nfs/dbraw/zinc/90/08/88/805900888.db2.gz INTQGHGTIZPUNQ-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)/C=C(/C)CC ZINC001157920346 805902720 /nfs/dbraw/zinc/90/27/20/805902720.db2.gz WJLZLAAKWUSIQN-VSKPTYQZSA-N 1 1 298.858 3.408 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)/C=C(/C)CC ZINC001157920346 805902726 /nfs/dbraw/zinc/90/27/26/805902726.db2.gz WJLZLAAKWUSIQN-VSKPTYQZSA-N 1 1 298.858 3.408 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C[N@H+](C)CCC ZINC001157994023 805912053 /nfs/dbraw/zinc/91/20/53/805912053.db2.gz FEMFRZRXGQUQRJ-QGZVFWFLSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)C/C=C\Cl ZINC001158011787 805913597 /nfs/dbraw/zinc/91/35/97/805913597.db2.gz PGYZTRDADYCHCQ-IZIDJEDMSA-N 1 1 298.858 3.408 20 30 CGEDMO Cc1[nH+]c(N[C@H]2CCCC(F)(F)C2)ccc1CC#N ZINC001158335147 805940684 /nfs/dbraw/zinc/94/06/84/805940684.db2.gz GXHLQZUQBSULQG-LBPRGKRZSA-N 1 1 265.307 3.446 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC1(C)C ZINC001158363943 805945528 /nfs/dbraw/zinc/94/55/28/805945528.db2.gz OCAHNPSNEAXKAL-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)C(C)C ZINC001158377965 805949251 /nfs/dbraw/zinc/94/92/51/805949251.db2.gz SRHSCHRQJKBKHI-JKSUJKDBSA-N 1 1 280.456 3.310 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC12CC2 ZINC001158529905 805964246 /nfs/dbraw/zinc/96/42/46/805964246.db2.gz RYLKXNCGXMYRFS-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@@](C)(O)CC1 ZINC001252121993 806009408 /nfs/dbraw/zinc/00/94/08/806009408.db2.gz NWPBLMHSPTWGGP-DLBZAZTESA-N 1 1 285.472 3.335 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CC[C@@]2(CCCO2)C1 ZINC001252124145 806010935 /nfs/dbraw/zinc/01/09/35/806010935.db2.gz OXOWEWOFKAONGL-SJORKVTESA-N 1 1 283.456 3.353 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+](C)Cc1ccno1 ZINC001252133214 806019234 /nfs/dbraw/zinc/01/92/34/806019234.db2.gz NEJIFUHUQVZPDR-AWEZNQCLSA-N 1 1 268.401 3.218 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCOC[C@H]1C1CC1 ZINC001252133783 806019464 /nfs/dbraw/zinc/01/94/64/806019464.db2.gz SIJZVGMULIFGOV-SJORKVTESA-N 1 1 283.456 3.209 20 30 CGEDMO C[N@@H+](Cc1ccc(NC2=CC(=O)CC(C)(C)C2)nc1)C1CC1 ZINC001158956917 806027208 /nfs/dbraw/zinc/02/72/08/806027208.db2.gz YLHPJFHNODPSMM-UHFFFAOYSA-N 1 1 299.418 3.361 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+]1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC001252556699 806064701 /nfs/dbraw/zinc/06/47/01/806064701.db2.gz FRTURZWAZPEZKY-BLLLJJGKSA-N 1 1 279.811 3.239 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC001252556701 806064720 /nfs/dbraw/zinc/06/47/20/806064720.db2.gz FRTURZWAZPEZKY-LRDDRELGSA-N 1 1 279.811 3.239 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](Oc2ccccc2C)C1 ZINC001252599684 806081381 /nfs/dbraw/zinc/08/13/81/806081381.db2.gz FPWQDBMAQZZWIH-DLBZAZTESA-N 1 1 289.419 3.165 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](C)CCc1ccccc1Cl ZINC001252600037 806081611 /nfs/dbraw/zinc/08/16/11/806081611.db2.gz VBSKVWYYEVCMOR-AWEZNQCLSA-N 1 1 267.800 3.141 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)/C(C)=C/CC)CC1 ZINC001159488162 806112054 /nfs/dbraw/zinc/11/20/54/806112054.db2.gz LBHSKQYDUQIGEI-OMCISZLKSA-N 1 1 290.451 3.447 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[N@H+]1C[C@H](O)C[C@H]1C ZINC001252979903 806145737 /nfs/dbraw/zinc/14/57/37/806145737.db2.gz OWQZSHBSMUJPJO-IXDOHACOSA-N 1 1 285.472 3.333 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)C2CC2)CC1 ZINC001159733210 806163324 /nfs/dbraw/zinc/16/33/24/806163324.db2.gz TXLPWSFRUODQAR-HNNXBMFYSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[NH+]1CCN(CC(C)C)CC1 ZINC001253237094 806188241 /nfs/dbraw/zinc/18/82/41/806188241.db2.gz VQJUIYPEFCPHNZ-GOSISDBHSA-N 1 1 296.499 3.148 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCC[C@H](F)C1 ZINC001253240092 806189765 /nfs/dbraw/zinc/18/97/65/806189765.db2.gz YVLCTZIHVACDPQ-GJZGRUSLSA-N 1 1 257.393 3.308 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001253239364 806189825 /nfs/dbraw/zinc/18/98/25/806189825.db2.gz MJCSCKORBUSPNB-IRXDYDNUSA-N 1 1 278.440 3.500 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC001253239365 806190375 /nfs/dbraw/zinc/19/03/75/806190375.db2.gz MJCSCKORBUSPNB-SJORKVTESA-N 1 1 278.440 3.500 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001253240284 806190733 /nfs/dbraw/zinc/19/07/33/806190733.db2.gz IPYRATBBMDZYRW-VGWMRTNUSA-N 1 1 269.404 3.306 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+](CCC)CCC#N ZINC001253240039 806190858 /nfs/dbraw/zinc/19/08/58/806190858.db2.gz XNJHJVUBRRCJSA-INIZCTEOSA-N 1 1 266.429 3.500 20 30 CGEDMO CCc1cc(N[C@@H]2CCc3c2cccc3C#N)nc(C)[nH+]1 ZINC001159916095 806197684 /nfs/dbraw/zinc/19/76/84/806197684.db2.gz JMEYBIKEEDFRPS-MRXNPFEDSA-N 1 1 278.359 3.319 20 30 CGEDMO C=C(C)CCC(=O)NCCC1=CC[N@H+](CC(=C)Cl)CC1 ZINC001160269160 806247001 /nfs/dbraw/zinc/24/70/01/806247001.db2.gz UHLJIIUCPPZKHZ-UHFFFAOYSA-N 1 1 296.842 3.234 20 30 CGEDMO C=C(C)CCC(=O)NCCC1=CC[N@@H+](CC(=C)Cl)CC1 ZINC001160269160 806247007 /nfs/dbraw/zinc/24/70/07/806247007.db2.gz UHLJIIUCPPZKHZ-UHFFFAOYSA-N 1 1 296.842 3.234 20 30 CGEDMO C#CC[N@H+](Cc1cc(-c2ccccc2)no1)CC1CC1 ZINC001253563727 806259331 /nfs/dbraw/zinc/25/93/31/806259331.db2.gz UFWXOERTIYGOEH-UHFFFAOYSA-N 1 1 266.344 3.187 20 30 CGEDMO C=C[C@H](O)C[N@H+]1CCC[C@H]1c1ccccc1Br ZINC001253567352 806261272 /nfs/dbraw/zinc/26/12/72/806261272.db2.gz NBPJEEVSJMZDSW-FZMZJTMJSA-N 1 1 296.208 3.133 20 30 CGEDMO C=C[C@@H](O)C[N@@H+]1CCC[C@H](Oc2cc(C)ccc2Cl)C1 ZINC001253582316 806262972 /nfs/dbraw/zinc/26/29/72/806262972.db2.gz NPEWSEXISIEFSN-KGLIPLIRSA-N 1 1 295.810 3.039 20 30 CGEDMO C=C[C@H](O)C[N@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001253578885 806263015 /nfs/dbraw/zinc/26/30/15/806263015.db2.gz JOMZRJDLHHHHQO-OCCSQVGLSA-N 1 1 285.309 3.042 20 30 CGEDMO C=C[C@H](O)C[N@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001253581877 806263325 /nfs/dbraw/zinc/26/33/25/806263325.db2.gz FAESETJKBZMZMS-OCCSQVGLSA-N 1 1 285.309 3.042 20 30 CGEDMO C=C[C@H](O)C[N@H+](CC)Cc1cccc(C(F)(F)F)c1 ZINC001253586682 806265429 /nfs/dbraw/zinc/26/54/29/806265429.db2.gz QAEKZLZPTJNORX-ZDUSSCGKSA-N 1 1 273.298 3.074 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)C2CCC2)CC1 ZINC001160463365 806275936 /nfs/dbraw/zinc/27/59/36/806275936.db2.gz XXIQJXUOCCBSAU-HNNXBMFYSA-N 1 1 290.451 3.137 20 30 CGEDMO N#Cc1c[nH]c2cc[nH+]c(NCCc3cc(F)cc(F)c3)c12 ZINC001160569674 806284648 /nfs/dbraw/zinc/28/46/48/806284648.db2.gz ISRQQUGECARCIN-UHFFFAOYSA-N 1 1 298.296 3.367 20 30 CGEDMO C=CC(C)(C)C(=O)NCCC1=CC[N@@H+](CCC2CC2)CC1 ZINC001160888380 806317658 /nfs/dbraw/zinc/31/76/58/806317658.db2.gz UIAFGDCHDNYYKG-UHFFFAOYSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1nc(Cl)ccc1OCC ZINC001160953419 806329336 /nfs/dbraw/zinc/32/93/36/806329336.db2.gz ALQVHDDIIKOABF-LBPRGKRZSA-N 1 1 295.814 3.196 20 30 CGEDMO C=CCCCC(=O)NCCC1=CC[N@@H+](CCC=C)CC1 ZINC001161061523 806344728 /nfs/dbraw/zinc/34/47/28/806344728.db2.gz CMFFWMUHEVDQGT-UHFFFAOYSA-N 1 1 276.424 3.057 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)[C@]2(C)CCC[C@H]2C)CC1 ZINC001161126056 806351940 /nfs/dbraw/zinc/35/19/40/806351940.db2.gz NQLMQUJMCHWJBG-CRAIPNDOSA-N 1 1 290.451 3.137 20 30 CGEDMO N#Cc1ccc2ccnc(N[C@H]3CC[N@H+](C4CCC4)C3)c2c1 ZINC001161177211 806354223 /nfs/dbraw/zinc/35/42/23/806354223.db2.gz JTKAVFOVQWXILT-HNNXBMFYSA-N 1 1 292.386 3.145 20 30 CGEDMO COCc1ccc(CNc2ccc(CC#N)c(C)[nH+]2)cc1 ZINC001161327321 806367416 /nfs/dbraw/zinc/36/74/16/806367416.db2.gz PGISGQGQPMGFFK-UHFFFAOYSA-N 1 1 281.359 3.215 20 30 CGEDMO N#CCC[N@@H+]([C@H]1CCCOC1)C1CCCCCCC1 ZINC001254384936 806390135 /nfs/dbraw/zinc/39/01/35/806390135.db2.gz VPEKRQDFCYYZIF-INIZCTEOSA-N 1 1 264.413 3.494 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H](C)[C@@H](C)CC)CC1 ZINC001161573614 806395102 /nfs/dbraw/zinc/39/51/02/806395102.db2.gz KYOSRISQZIDTPD-JKSUJKDBSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)[C@@H](C)CC)CC1 ZINC001161605039 806396853 /nfs/dbraw/zinc/39/68/53/806396853.db2.gz QQPAGKRDVXTLMA-HOTGVXAUSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CC[C@H]([NH2+][C@H](CCC)CCc1ccccc1)C(=O)OC ZINC001254487300 806413917 /nfs/dbraw/zinc/41/39/17/806413917.db2.gz NZSPJWLAPQHGRG-SJORKVTESA-N 1 1 289.419 3.495 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCc2cnn(C)c2)cc1 ZINC001161856586 806473674 /nfs/dbraw/zinc/47/36/74/806473674.db2.gz FDDLCZNLPTUVAA-GOSISDBHSA-N 1 1 296.418 3.355 20 30 CGEDMO N#C[C@@H]1CC[C@H]([NH+](Cc2cccnc2)Cc2cccnc2)C1 ZINC001254667752 806479675 /nfs/dbraw/zinc/47/96/75/806479675.db2.gz DETYEGLCRFYQEC-QAPCUYQASA-N 1 1 292.386 3.171 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@@H+]2Cc3cnc(-c4ccccc4)nc3C2)C1 ZINC001254672959 806482219 /nfs/dbraw/zinc/48/22/19/806482219.db2.gz FKXHGCDTXPDMPC-CZUORRHYSA-N 1 1 290.370 3.151 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2Cc3cnc(-c4ccccc4)nc3C2)C1 ZINC001254672959 806482223 /nfs/dbraw/zinc/48/22/23/806482223.db2.gz FKXHGCDTXPDMPC-CZUORRHYSA-N 1 1 290.370 3.151 20 30 CGEDMO N#Cc1ccc2c(c1)CC[N@@H+](C1Cc3ccccc3C1)C2 ZINC001255019749 806528589 /nfs/dbraw/zinc/52/85/89/806528589.db2.gz KYVCDYZXZDPIMT-UHFFFAOYSA-N 1 1 274.367 3.084 20 30 CGEDMO N#C[C@@H]1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255145847 806553725 /nfs/dbraw/zinc/55/37/25/806553725.db2.gz VYRQHUOTNJZXTK-OKYOBFRVSA-N 1 1 295.430 3.027 20 30 CGEDMO C[N@H+]1CCC[C@](C)(Nc2nc(Cl)cc(Cl)c2C#N)C1 ZINC001162338621 806558506 /nfs/dbraw/zinc/55/85/06/806558506.db2.gz COOLXHLBQXEJMZ-ZDUSSCGKSA-N 1 1 299.205 3.156 20 30 CGEDMO CC[C@@H](CC#N)[N@H+]1C[C@H]2CCC[C@@]2(COc2ccccn2)C1 ZINC001255169037 806565328 /nfs/dbraw/zinc/56/53/28/806565328.db2.gz ZYUJOTNQZLATKO-RYRKJORJSA-N 1 1 299.418 3.255 20 30 CGEDMO CC[C@H](CC#N)N1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001255178747 806572195 /nfs/dbraw/zinc/57/21/95/806572195.db2.gz JCEZECQYKGQPJD-GBESFXJTSA-N 1 1 297.446 3.133 20 30 CGEDMO COC1CCC([N@@H+](CCC#N)Cc2ccccc2)CC1 ZINC001255455742 806643677 /nfs/dbraw/zinc/64/36/77/806643677.db2.gz LQMVUHXMCBAECX-UHFFFAOYSA-N 1 1 272.392 3.360 20 30 CGEDMO Cc1cc(F)c(C#N)c(N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC001162800339 806668028 /nfs/dbraw/zinc/66/80/28/806668028.db2.gz YHDLPJVLKDDJKX-RYUDHWBXSA-N 1 1 273.355 3.043 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC2(CCCC2)C1 ZINC000160870600 799077168 /nfs/dbraw/zinc/07/71/68/799077168.db2.gz HCPUGTQXMUDQSV-UHFFFAOYSA-N 1 1 258.340 3.463 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](C)[C@@H](C)c1ccccc1Cl ZINC000381008971 799370278 /nfs/dbraw/zinc/37/02/78/799370278.db2.gz QGSKGGRTINFKEN-NEPJUHHUSA-N 1 1 266.772 3.261 20 30 CGEDMO C#CC[N@@H+](C)CCCNc1ccnc2cc(Cl)ccc21 ZINC000392767378 799483122 /nfs/dbraw/zinc/48/31/22/799483122.db2.gz AGIJEPPHIYWYRA-UHFFFAOYSA-N 1 1 287.794 3.255 20 30 CGEDMO CCCCCCCC[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000398831534 799532935 /nfs/dbraw/zinc/53/29/35/799532935.db2.gz HQLGPTGXOAKNHK-XHSDSOJGSA-N 1 1 253.430 3.440 20 30 CGEDMO C=CCCCC[N@@H+](C)[C@H](C)CS(=O)(=O)c1ccccc1 ZINC001255827195 806760039 /nfs/dbraw/zinc/76/00/39/806760039.db2.gz QTULUEQGRKAMCU-OAHLLOKOSA-N 1 1 295.448 3.137 20 30 CGEDMO C=CCCCC[N@H+](C)[C@H](C)CS(=O)(=O)c1ccccc1 ZINC001255827195 806760044 /nfs/dbraw/zinc/76/00/44/806760044.db2.gz QTULUEQGRKAMCU-OAHLLOKOSA-N 1 1 295.448 3.137 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@H](c3nccs3)C2)c1F ZINC000710357918 800033587 /nfs/dbraw/zinc/03/35/87/800033587.db2.gz CEFVAHKVYSLKGR-ZDUSSCGKSA-N 1 1 287.363 3.143 20 30 CGEDMO CC1(C)C[C@@H](C[N@H+]2CCC[C@@H](CC#N)C2)C(C)(C)O1 ZINC000711278615 800050634 /nfs/dbraw/zinc/05/06/34/800050634.db2.gz JIOVVIVGNOODGA-KBPBESRZSA-N 1 1 264.413 3.206 20 30 CGEDMO CC[N@@H+](C[C@H](C)C#N)C[C@@H]1CC(C)(C)OC1(C)C ZINC000711277227 800051054 /nfs/dbraw/zinc/05/10/54/800051054.db2.gz HCDCXACDLSIHKF-OLZOCXBDSA-N 1 1 252.402 3.062 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)OCC)C1 ZINC001256036025 806806961 /nfs/dbraw/zinc/80/69/61/806806961.db2.gz RBWBBQYQXZTTPN-AWEZNQCLSA-N 1 1 270.417 3.119 20 30 CGEDMO C#CCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000714970246 800129197 /nfs/dbraw/zinc/12/91/97/800129197.db2.gz WOKWWJZDJRKCII-PMACEKPBSA-N 1 1 296.458 3.386 20 30 CGEDMO C#CCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000714970246 800129204 /nfs/dbraw/zinc/12/92/04/800129204.db2.gz WOKWWJZDJRKCII-PMACEKPBSA-N 1 1 296.458 3.386 20 30 CGEDMO C#CCCCN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000714970246 800129211 /nfs/dbraw/zinc/12/92/11/800129211.db2.gz WOKWWJZDJRKCII-PMACEKPBSA-N 1 1 296.458 3.386 20 30 CGEDMO C#CCCCN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000714970246 800129220 /nfs/dbraw/zinc/12/92/20/800129220.db2.gz WOKWWJZDJRKCII-PMACEKPBSA-N 1 1 296.458 3.386 20 30 CGEDMO C=CCC1(O)CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000717463966 800202725 /nfs/dbraw/zinc/20/27/25/800202725.db2.gz MSWPBFJIIBTSAZ-UHFFFAOYSA-N 1 1 288.416 3.199 20 30 CGEDMO C#CC[C@H](CO)[NH2+]Cc1c(Cl)ccc(Cl)c1Cl ZINC000717775341 800205871 /nfs/dbraw/zinc/20/58/71/800205871.db2.gz HAIBZSPACPDKCB-MRVPVSSYSA-N 1 1 292.593 3.121 20 30 CGEDMO Cc1nc(C[NH2+]Cc2ccc(CC#N)cc2)sc1C ZINC000719538576 800240629 /nfs/dbraw/zinc/24/06/29/800240629.db2.gz YRORESMSWUAAEM-UHFFFAOYSA-N 1 1 271.389 3.116 20 30 CGEDMO C=CC[C@H]([NH2+][C@H]1CCC[C@H](c2ccccc2)C1)C(=O)OC ZINC001256109048 806822828 /nfs/dbraw/zinc/82/28/28/806822828.db2.gz SMAGDVHRMHIFTK-ULQDDVLXSA-N 1 1 287.403 3.420 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000930922270 800652097 /nfs/dbraw/zinc/65/20/97/800652097.db2.gz BMLHCTLEWOEAJF-OAHLLOKOSA-N 1 1 259.397 3.476 20 30 CGEDMO C#CCC[N@H+]1CCC[C@H]1c1cncc(Br)c1 ZINC000932248928 800655409 /nfs/dbraw/zinc/65/54/09/800655409.db2.gz LSRKJAPMVZHZMU-ZDUSSCGKSA-N 1 1 279.181 3.004 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H]1c1cncc(Br)c1 ZINC000932248928 800655411 /nfs/dbraw/zinc/65/54/11/800655411.db2.gz LSRKJAPMVZHZMU-ZDUSSCGKSA-N 1 1 279.181 3.004 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1CCc1nsc2ccccc21 ZINC000934459821 800678977 /nfs/dbraw/zinc/67/89/77/800678977.db2.gz MBWBFLPVIQRBAL-LBPRGKRZSA-N 1 1 258.390 3.489 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)C2CCCCC2)C1 ZINC001023205166 800706965 /nfs/dbraw/zinc/70/69/65/800706965.db2.gz PJKJDMPTEYRUEG-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)c2ccsc2)C1 ZINC001023218891 800708354 /nfs/dbraw/zinc/70/83/54/800708354.db2.gz FQLSLNFOXRISRM-AWEZNQCLSA-N 1 1 292.448 3.156 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(C)cs2)C1 ZINC001023358311 800710158 /nfs/dbraw/zinc/71/01/58/800710158.db2.gz DOQDKUXRPVZZAB-AWEZNQCLSA-N 1 1 292.448 3.074 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC2(C)C)C1 ZINC001023535101 800712162 /nfs/dbraw/zinc/71/21/62/800712162.db2.gz GIDJXEBPVNNHAO-KGLIPLIRSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC2(C)C)C1 ZINC001023535101 800712165 /nfs/dbraw/zinc/71/21/65/800712165.db2.gz GIDJXEBPVNNHAO-KGLIPLIRSA-N 1 1 298.858 3.003 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)c2ccoc2C(C)C)C1 ZINC001023769747 800715436 /nfs/dbraw/zinc/71/54/36/800715436.db2.gz FDEIVQHSKUKIJF-CQSZACIVSA-N 1 1 290.407 3.031 20 30 CGEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)C1CCCCCC1 ZINC001024359028 800726303 /nfs/dbraw/zinc/72/63/03/800726303.db2.gz NGLKCPFKPSTEFI-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1C(C)C ZINC001024471324 800730641 /nfs/dbraw/zinc/73/06/41/800730641.db2.gz CVYYWBZWEMVRNN-INIZCTEOSA-N 1 1 298.430 3.028 20 30 CGEDMO C=C1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC001024632098 800733415 /nfs/dbraw/zinc/73/34/15/800733415.db2.gz SNZWTYDOJPEZLA-QGZVFWFLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@]12C[C@H]1CCCC2 ZINC001024636479 800734092 /nfs/dbraw/zinc/73/40/92/800734092.db2.gz TUKQOIGXIOPTOG-JFIYKMOQSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC ZINC001025184518 800745613 /nfs/dbraw/zinc/74/56/13/800745613.db2.gz PPYMCISUFFOBCP-JKSUJKDBSA-N 1 1 278.440 3.208 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2CCCCC2)C1 ZINC001025315578 800754199 /nfs/dbraw/zinc/75/41/99/800754199.db2.gz BMNDDAGPOZVJDU-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CCCC2)C1 ZINC001025320656 800755027 /nfs/dbraw/zinc/75/50/27/800755027.db2.gz OPXCQYKIUZMSNP-DZGCQCFKSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C2=CCCCCC2)C1 ZINC001027377934 800793181 /nfs/dbraw/zinc/79/31/81/800793181.db2.gz AFQSSJGRRMQSNY-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C23CCC(CC2)C3)C1 ZINC001027465835 800797746 /nfs/dbraw/zinc/79/77/46/800797746.db2.gz QLTAEIQNTVUKJQ-UPTPFMHGSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)C2CCCCCCC2)C1 ZINC001027487187 800798229 /nfs/dbraw/zinc/79/82/29/800798229.db2.gz YLTQJOGUPIGQBD-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)C2(C)CC=CC2)C1 ZINC001027557245 800803724 /nfs/dbraw/zinc/80/37/24/800803724.db2.gz MCHFDIBMIYJRNC-CQSZACIVSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)C2(C)CC=CC2)C1 ZINC001027557245 800803730 /nfs/dbraw/zinc/80/37/30/800803730.db2.gz MCHFDIBMIYJRNC-CQSZACIVSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C=C)c2ccccc2)C1 ZINC001027690637 800811811 /nfs/dbraw/zinc/81/18/11/800811811.db2.gz HLCCSDBLVLEQHE-QZTJIDSGSA-N 1 1 298.430 3.065 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1csc(C)c1C ZINC001027904365 800825616 /nfs/dbraw/zinc/82/56/16/800825616.db2.gz BUEZCMWKGZGZCH-AWEZNQCLSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1sccc1Cl ZINC001027900356 800826058 /nfs/dbraw/zinc/82/60/58/800826058.db2.gz FCAXBRHPGMAKEH-LLVKDONJSA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001027891432 800826470 /nfs/dbraw/zinc/82/64/70/800826470.db2.gz XCZDNCZCNJDHHS-HRCADAONSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001027902987 800826634 /nfs/dbraw/zinc/82/66/34/800826634.db2.gz AQEDQPPBXDFBIC-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)C12CCC(CC1)C2 ZINC001027971951 800827584 /nfs/dbraw/zinc/82/75/84/800827584.db2.gz OGJFAQQZBSHCSI-UPTPFMHGSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1csc(Cl)c1 ZINC001028181544 800835460 /nfs/dbraw/zinc/83/54/60/800835460.db2.gz VSYCHHGNJYPREK-GFCCVEGCSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(C)csc1Cl ZINC001028288047 800839957 /nfs/dbraw/zinc/83/99/57/800839957.db2.gz ZCTJZSFJQCNCPH-LLVKDONJSA-N 1 1 298.839 3.090 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H]2CC[N@H+](CCC(C)C)C2)CC1 ZINC001028778919 800852609 /nfs/dbraw/zinc/85/26/09/800852609.db2.gz OWUIGQYBZWYNIR-INIZCTEOSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC=C(C)C ZINC001029420017 800868029 /nfs/dbraw/zinc/86/80/29/800868029.db2.gz PZNUDYXCKQZKEI-IYBDPMFKSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](N(Cc2ccccc2)C(C)=O)C1 ZINC001029917581 800878907 /nfs/dbraw/zinc/87/89/07/800878907.db2.gz OLUWKSKTSJKJKS-SFHVURJKSA-N 1 1 286.419 3.076 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CCCC)cc1 ZINC001032507737 800930179 /nfs/dbraw/zinc/93/01/79/800930179.db2.gz BSEBDLJRHCUMKH-ROUUACIJSA-N 1 1 298.430 3.114 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CCCC)cc1 ZINC001032507737 800930183 /nfs/dbraw/zinc/93/01/83/800930183.db2.gz BSEBDLJRHCUMKH-ROUUACIJSA-N 1 1 298.430 3.114 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCC1 ZINC001032605995 800932593 /nfs/dbraw/zinc/93/25/93/800932593.db2.gz LVTZQNRFBFUKPJ-XYJFISCASA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(CC)CCCCC1 ZINC001032797417 800936288 /nfs/dbraw/zinc/93/62/88/800936288.db2.gz SAUDEJXCGYJENF-HOTGVXAUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(CC)CCCCC1 ZINC001032797417 800936292 /nfs/dbraw/zinc/93/62/92/800936292.db2.gz SAUDEJXCGYJENF-HOTGVXAUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CCC(C)(C)CC1 ZINC001032822027 800938876 /nfs/dbraw/zinc/93/88/76/800938876.db2.gz DUGNAOZACDYPEA-HOTGVXAUSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CCC(C)(C)CC1 ZINC001032822027 800938881 /nfs/dbraw/zinc/93/88/81/800938881.db2.gz DUGNAOZACDYPEA-HOTGVXAUSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@]2(C)CC=CCC2)C1 ZINC001033108135 800952028 /nfs/dbraw/zinc/95/20/28/800952028.db2.gz PUEMTOFSUKMBEW-WMZOPIPTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)C2CCCC2)C1 ZINC001033151034 800954039 /nfs/dbraw/zinc/95/40/39/800954039.db2.gz IZEQFLFNGNDRGP-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C)sc2C)C1 ZINC001033240165 800956028 /nfs/dbraw/zinc/95/60/28/800956028.db2.gz JJOIGTIECDQGNR-CQSZACIVSA-N 1 1 292.448 3.087 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)C2(C3CCC3)CCC2)C1 ZINC001033299341 800956748 /nfs/dbraw/zinc/95/67/48/800956748.db2.gz CCRYMBZYGARUQK-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CC3CCC3)C2)CC1 ZINC001033389667 800962165 /nfs/dbraw/zinc/96/21/65/800962165.db2.gz SEBLJSQPHVGJCU-KRWDZBQOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C1CC(C)(C(=O)N(C)[C@H]2CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001033398334 800964790 /nfs/dbraw/zinc/96/47/90/800964790.db2.gz ITKXIDOERCIDSZ-HNNXBMFYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2Cl)C1 ZINC001033608853 800969681 /nfs/dbraw/zinc/96/96/81/800969681.db2.gz IGQZIFODYXSPQF-CYBMUJFWSA-N 1 1 292.810 3.062 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)cc2C)C1 ZINC001033633801 800970801 /nfs/dbraw/zinc/97/08/01/800970801.db2.gz XJFHHYCDLLGSMU-MRXNPFEDSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3ccccc3o2)C1 ZINC001033640063 800971688 /nfs/dbraw/zinc/97/16/88/800971688.db2.gz PHTBQHCYCJTYFW-OAHLLOKOSA-N 1 1 298.386 3.155 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001033678513 800973998 /nfs/dbraw/zinc/97/39/98/800973998.db2.gz KSYZGBYDPHFEDR-SJLPKXTDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001033698486 800974560 /nfs/dbraw/zinc/97/45/60/800974560.db2.gz SKLHQWSLRXYWAF-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCCC2(C)C)C1 ZINC001033698489 800974865 /nfs/dbraw/zinc/97/48/65/800974865.db2.gz SKLHQWSLRXYWAF-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2sccc2C)C1 ZINC001033732562 800978238 /nfs/dbraw/zinc/97/82/38/800978238.db2.gz KXZSXKXSYXSCRB-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)C2CCCCCCC2)C1 ZINC001033898218 800987120 /nfs/dbraw/zinc/98/71/20/800987120.db2.gz UVSFOCXVVRTYKH-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)C2CCC(=C)CC2)C1 ZINC001033950740 800991824 /nfs/dbraw/zinc/99/18/24/800991824.db2.gz RPORVTPKHYFTEA-QGZVFWFLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC23CCCC3)C1 ZINC001034016500 800993657 /nfs/dbraw/zinc/99/36/57/800993657.db2.gz IJLYADIFGHATRP-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2csc(C)c2)C1 ZINC001033992804 800993824 /nfs/dbraw/zinc/99/38/24/800993824.db2.gz YOMQGMQOVPEMFF-HNNXBMFYSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001034051177 800997487 /nfs/dbraw/zinc/99/74/87/800997487.db2.gz TXTNZTXCLFUVNC-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+]1CCCC[C@H](NC(=O)c2ccc3occc3c2)C1 ZINC001034226347 801012368 /nfs/dbraw/zinc/01/23/68/801012368.db2.gz RDADMQJBFGJCEB-INIZCTEOSA-N 1 1 298.386 3.203 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC2(C)C)C1 ZINC001034350743 801019885 /nfs/dbraw/zinc/01/98/85/801019885.db2.gz JTRICSWJBKKMEY-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)C2CCC(F)CC2)C1 ZINC001034376946 801021616 /nfs/dbraw/zinc/02/16/16/801021616.db2.gz QIUAQLNXDZPHSQ-UYSNPLJNSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001034388849 801023456 /nfs/dbraw/zinc/02/34/56/801023456.db2.gz ITEUBCBYPNPYTG-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001034389860 801024980 /nfs/dbraw/zinc/02/49/80/801024980.db2.gz PADZZSILMILZFE-IXDOHACOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001034497833 801029777 /nfs/dbraw/zinc/02/97/77/801029777.db2.gz HERYAJMEOFYJOX-HNNXBMFYSA-N 1 1 292.810 3.110 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)CC(C)C)CC2 ZINC001035150133 801051835 /nfs/dbraw/zinc/05/18/35/801051835.db2.gz PEVDSIWXZSDPDS-UHFFFAOYSA-N 1 1 298.858 3.100 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C3CCCCC3)CC[C@H]21 ZINC001036629948 801085013 /nfs/dbraw/zinc/08/50/13/801085013.db2.gz YNWDIEMFIHXGLU-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCC)C1 ZINC001036725994 801089909 /nfs/dbraw/zinc/08/99/09/801089909.db2.gz FYYFGRJLAIWOKU-ZIAGYGMSSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCCC)C1 ZINC001036793789 801091581 /nfs/dbraw/zinc/09/15/81/801091581.db2.gz LEMQCCYJFATYBP-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C)cc3C)CC[C@H]21 ZINC001036884941 801093695 /nfs/dbraw/zinc/09/36/95/801093695.db2.gz CLYXJGPHCKGMIM-SJLPKXTDSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(Cl)cc1 ZINC001038955299 801137858 /nfs/dbraw/zinc/13/78/58/801137858.db2.gz WUTWHLACPSYXAY-OAHLLOKOSA-N 1 1 292.810 3.110 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC(C)(C)C1 ZINC001039053707 801142342 /nfs/dbraw/zinc/14/23/42/801142342.db2.gz LMHCTOOIHXEKDJ-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1sccc1C(C)C ZINC001039042910 801142746 /nfs/dbraw/zinc/14/27/46/801142746.db2.gz ZWHQTQOBLQULSF-ZDUSSCGKSA-N 1 1 292.448 3.252 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C(C)(C)CC)CC2)C1 ZINC001039156234 801150271 /nfs/dbraw/zinc/15/02/71/801150271.db2.gz ZQUVGTBRELFRNE-MRXNPFEDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C=C(C)C)C1 ZINC001039206628 801154640 /nfs/dbraw/zinc/15/46/40/801154640.db2.gz NQXZDSUFAZZGJT-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC(C)(C)C ZINC001039332700 801158734 /nfs/dbraw/zinc/15/87/34/801158734.db2.gz UHODMMKQCLAVPM-CVEARBPZSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC1(C)C ZINC001039422232 801161579 /nfs/dbraw/zinc/16/15/79/801161579.db2.gz OXRPPJCVUTYLLV-PMPSAXMXSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C(F)=C(C)C)C2)C1 ZINC001040158431 801173819 /nfs/dbraw/zinc/17/38/19/801173819.db2.gz PRMYUPXRQXXHGM-KRWDZBQOSA-N 1 1 294.414 3.140 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)C(C)(C)C)C2)C1 ZINC001041407393 801190018 /nfs/dbraw/zinc/19/00/18/801190018.db2.gz HDWLRRZTRZFCAQ-MAUKXSAKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CCN(C(=O)CCC3CCCC3)C[C@H]21 ZINC001041915984 801196596 /nfs/dbraw/zinc/19/65/96/801196596.db2.gz JQUVBRYFDNLRPN-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C[C@@H](Cc1ccccn1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001256426958 806894066 /nfs/dbraw/zinc/89/40/66/806894066.db2.gz SRDLSVBQJOFSKJ-AWEZNQCLSA-N 1 1 265.360 3.016 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@]2(C)CC)CC1 ZINC001045606943 801282069 /nfs/dbraw/zinc/28/20/69/801282069.db2.gz ONKPKOACZBXGAA-ZFWWWQNUSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC ZINC001045840684 801288620 /nfs/dbraw/zinc/28/86/20/801288620.db2.gz KOJACAXBWKQQSC-SOLBZPMBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCC)C2 ZINC001045909417 801291585 /nfs/dbraw/zinc/29/15/85/801291585.db2.gz OJUJTLQRBXUQFZ-KRWDZBQOSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)CC)C2 ZINC001045960598 801297118 /nfs/dbraw/zinc/29/71/18/801297118.db2.gz NRBVMHVZKUMKQN-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)c2sccc2Cl)C1 ZINC001046338686 801309394 /nfs/dbraw/zinc/30/93/94/801309394.db2.gz YJZFUOKLASUUST-AWEZNQCLSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(Cl)c(C)c2)C1 ZINC001046587556 801317620 /nfs/dbraw/zinc/31/76/20/801317620.db2.gz DYZXPRIYCGPETN-INIZCTEOSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)c2ccc(C)cc2)C1 ZINC001046795199 801326122 /nfs/dbraw/zinc/32/61/22/801326122.db2.gz NMHSAAJPWSYMHC-SFHVURJKSA-N 1 1 286.419 3.155 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(Cl)s2)C1 ZINC001046820684 801327903 /nfs/dbraw/zinc/32/79/03/801327903.db2.gz MEEAMXLADKYCMI-CQSZACIVSA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(C)c(C)s2)C1 ZINC001046825970 801329208 /nfs/dbraw/zinc/32/92/08/801329208.db2.gz QQVFNHHTVBHISJ-MRXNPFEDSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)C2CCC(C)(C)CC2)C1 ZINC001046866985 801329616 /nfs/dbraw/zinc/32/96/16/801329616.db2.gz QIFJADFEPCSYMT-SFHVURJKSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)c2ccc(F)s2)C1 ZINC001046867471 801330636 /nfs/dbraw/zinc/33/06/36/801330636.db2.gz GVVRPWSSDQZWGI-HNNXBMFYSA-N 1 1 296.411 3.048 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CCCC1 ZINC001049280174 801359313 /nfs/dbraw/zinc/35/93/13/801359313.db2.gz MTBHHTYSFPPZHG-IRXDYDNUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1C ZINC001049305426 801363443 /nfs/dbraw/zinc/36/34/43/801363443.db2.gz ZSHZRLTXWBBOHW-ROUUACIJSA-N 1 1 298.430 3.250 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC(C)(C)C ZINC001049326209 801365230 /nfs/dbraw/zinc/36/52/30/801365230.db2.gz JYJYKAZMEUOVKT-JKSUJKDBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C=C1CCCCC1 ZINC001049365622 801366687 /nfs/dbraw/zinc/36/66/87/801366687.db2.gz ZQXKUSNGNNYSQM-DLBZAZTESA-N 1 1 288.435 3.128 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCC1CC1 ZINC001049388400 801370103 /nfs/dbraw/zinc/37/01/03/801370103.db2.gz VKXYNUCKZJAMBG-SJORKVTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)C(=C)Cl ZINC001049500177 801376535 /nfs/dbraw/zinc/37/65/35/801376535.db2.gz CXTMEJNCMRIXCM-ZIAGYGMSSA-N 1 1 296.842 3.016 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1(C)CCCC1 ZINC001049627627 801377178 /nfs/dbraw/zinc/37/71/78/801377178.db2.gz TVRLDWRGVQVTRV-HOTGVXAUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC(=C)Cl ZINC001049638155 801380245 /nfs/dbraw/zinc/38/02/45/801380245.db2.gz ZNGTXHICFNXUJO-KBPBESRZSA-N 1 1 296.842 3.016 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC(=C)Cl ZINC001049638155 801380255 /nfs/dbraw/zinc/38/02/55/801380255.db2.gz ZNGTXHICFNXUJO-KBPBESRZSA-N 1 1 296.842 3.016 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](C)C1CC1 ZINC001049923649 801393631 /nfs/dbraw/zinc/39/36/31/801393631.db2.gz WSPUJXMNBNQFJH-HYVNUMGLSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C2C(C)(C)C2(C)C)CC1 ZINC001052281909 801429259 /nfs/dbraw/zinc/42/92/59/801429259.db2.gz CWRAXCMKBXODMO-CQSZACIVSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C2(C3CC3)CC2)CC1 ZINC001052473748 801434560 /nfs/dbraw/zinc/43/45/60/801434560.db2.gz DJCSKXQFBDQSSZ-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC001052556531 801438832 /nfs/dbraw/zinc/43/88/32/801438832.db2.gz QIHWYCJOYPESFM-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)C2(C3CC3)CCC2)CC1 ZINC001052596438 801439031 /nfs/dbraw/zinc/43/90/31/801439031.db2.gz IKXQXMCYFHTWEA-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)CC2CC(C)(C)C2)CC1 ZINC001052654097 801445177 /nfs/dbraw/zinc/44/51/77/801445177.db2.gz VCMQLLLSZDEFIF-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](CC[C@H](C)F)CC2)C1 ZINC001052692397 801447132 /nfs/dbraw/zinc/44/71/32/801447132.db2.gz BGZUXBBFLDAYSE-LSDHHAIUSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC001052686340 801447687 /nfs/dbraw/zinc/44/76/87/801447687.db2.gz JARKNPIYABLIGD-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@]2(C)CC=C(C)CC2)CC1 ZINC001052951621 801457387 /nfs/dbraw/zinc/45/73/87/801457387.db2.gz KWVIPLDNJODTRZ-WMZOPIPTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C(C)C)C2)C1 ZINC001053008565 801461845 /nfs/dbraw/zinc/46/18/45/801461845.db2.gz RPSDVNXGGAAJQG-IRXDYDNUSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C(C)C)C1 ZINC001053073625 801468606 /nfs/dbraw/zinc/46/86/06/801468606.db2.gz XMQGIPXOPVOCHW-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1CCCCC1)C2 ZINC001054075569 801470430 /nfs/dbraw/zinc/47/04/30/801470430.db2.gz LRGBDNGXZOGLKD-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C=C(C)C)C2 ZINC001054074240 801470633 /nfs/dbraw/zinc/47/06/33/801470633.db2.gz IDONBKMTEKDMTQ-MRXNPFEDSA-N 1 1 296.842 3.020 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)/C(C)=C\C)C2 ZINC001054110368 801473092 /nfs/dbraw/zinc/47/30/92/801473092.db2.gz DQHMZTIUJPFOBO-BOCDPNTGSA-N 1 1 296.842 3.020 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)C(C)(C)C)C2 ZINC001054152692 801475294 /nfs/dbraw/zinc/47/52/94/801475294.db2.gz FYDRACZZYGDNSD-QAPCUYQASA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2ccc(C)s2)CC[C@@H]1C ZINC001071299018 801524549 /nfs/dbraw/zinc/52/45/49/801524549.db2.gz DTDQGVRVQSMEJA-GXTWGEPZSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2cc(C)oc2C)CC[C@@H]1C ZINC001071334292 801530458 /nfs/dbraw/zinc/53/04/58/801530458.db2.gz DUWGLZIFZUBUML-SWLSCSKDSA-N 1 1 290.407 3.055 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)CC2CCC2)CC[C@H]1C ZINC001071398416 801535244 /nfs/dbraw/zinc/53/52/44/801535244.db2.gz DOWXCPIUOGBCMF-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccsc2C)CC[C@@H]1C ZINC001071494620 801541346 /nfs/dbraw/zinc/54/13/46/801541346.db2.gz VXCGEGXXNCIUQR-JSGCOSHPSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C2CC3(CCC3)C2)CC[C@H]1C ZINC001071740955 801546647 /nfs/dbraw/zinc/54/66/47/801546647.db2.gz CBUKVJDRSJJGTH-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)C2CC3(CC3)C2)CC[C@@H]1C ZINC001071819124 801554357 /nfs/dbraw/zinc/55/43/57/801554357.db2.gz SGSHWJURRWAIJK-GOEBONIOSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[C@H](CC)CC2)CC[C@@H]1C ZINC001072004596 801558441 /nfs/dbraw/zinc/55/84/41/801558441.db2.gz BFJNHUKYDZGPJC-QAETUUGQSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2ccc(C3CC3)cc2)CC[C@@H]1C ZINC001072088631 801563148 /nfs/dbraw/zinc/56/31/48/801563148.db2.gz NYBOVQHKRFYOKR-KBXCAEBGSA-N 1 1 298.430 3.333 20 30 CGEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)c3cc(C)ccc3C)C2)C1 ZINC001073151351 801579494 /nfs/dbraw/zinc/57/94/94/801579494.db2.gz IESNEFXYWOZKIK-UHFFFAOYSA-N 1 1 298.430 3.027 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](C2CCN(C(C)=O)CC2)CC1 ZINC001075441674 801600861 /nfs/dbraw/zinc/60/08/61/801600861.db2.gz MJXLZKOMMWGQEE-HNNXBMFYSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CCC3CCC3)[C@@H]2C1 ZINC001075662993 801609812 /nfs/dbraw/zinc/60/98/12/801609812.db2.gz IXCLAEWOJMEBCU-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3occc3c2)C1 ZINC001079746362 801647796 /nfs/dbraw/zinc/64/77/96/801647796.db2.gz OLYPNJNWBPYVOZ-CZUORRHYSA-N 1 1 298.386 3.059 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001080270815 801649923 /nfs/dbraw/zinc/64/99/23/801649923.db2.gz ZXBGCAUDKMKJKQ-BRWVUGGUSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2coc3ccccc23)C1 ZINC001081040475 801659402 /nfs/dbraw/zinc/65/94/02/801659402.db2.gz GCRGNMFABZEIOD-CZUORRHYSA-N 1 1 298.386 3.059 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(CC)CCC3)[C@@H]2C1 ZINC001084592479 801670418 /nfs/dbraw/zinc/67/04/18/801670418.db2.gz TVBGMKZQILBFCG-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(C)cccc1C ZINC001085835956 801707223 /nfs/dbraw/zinc/70/72/23/801707223.db2.gz XZPNQALEGIEFLZ-INIZCTEOSA-N 1 1 286.419 3.026 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(C)cccc1C ZINC001085836970 801707439 /nfs/dbraw/zinc/70/74/39/801707439.db2.gz YFOOPKWRYBHCSN-INIZCTEOSA-N 1 1 286.419 3.026 20 30 CGEDMO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc2ccccc2c1 ZINC001085939867 801712372 /nfs/dbraw/zinc/71/23/72/801712372.db2.gz SOUPTVWNJCOXHW-SFHVURJKSA-N 1 1 294.398 3.172 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2ccccc2c1 ZINC001085939867 801712375 /nfs/dbraw/zinc/71/23/75/801712375.db2.gz SOUPTVWNJCOXHW-SFHVURJKSA-N 1 1 294.398 3.172 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCCC1(C)C ZINC001085991024 801715539 /nfs/dbraw/zinc/71/55/39/801715539.db2.gz CWXVPMWKAJVSDE-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCCC1(C)C ZINC001085991096 801716325 /nfs/dbraw/zinc/71/63/25/801716325.db2.gz GBFBWJMVSGQOQI-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cccs2)[C@H]1CC ZINC001087491044 801753091 /nfs/dbraw/zinc/75/30/91/801753091.db2.gz DAKFOWYACCSYSZ-UONOGXRCSA-N 1 1 292.448 3.297 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2occc2C)[C@H]1CC ZINC001087503179 801754238 /nfs/dbraw/zinc/75/42/38/801754238.db2.gz UQEUOKFXFMHLFW-LSDHHAIUSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2=CCCC2)[C@H]1CC ZINC001087540378 801755601 /nfs/dbraw/zinc/75/56/01/801755601.db2.gz QNKJOMHGZZQKNF-JKSUJKDBSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)=C2CCCC2)[C@H]1CC ZINC001087537327 801755793 /nfs/dbraw/zinc/75/57/93/801755793.db2.gz FCKORLARFAOHLH-DLBZAZTESA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC23CC3)[C@H]1CC ZINC001087623186 801760151 /nfs/dbraw/zinc/76/01/51/801760151.db2.gz ULNSKEADFWHJSV-HRCADAONSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2CCC(F)CC2)[C@H]1CC ZINC001087714107 801764431 /nfs/dbraw/zinc/76/44/31/801764431.db2.gz NQCLUDSEKNCLEH-SSHXOBKSSA-N 1 1 296.430 3.060 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2CCC(=C)CC2)[C@H]1CC ZINC001087714148 801764481 /nfs/dbraw/zinc/76/44/81/801764481.db2.gz URAPJCDEEMIRCL-DLBZAZTESA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC(C)(C)C2)[C@H]1CC ZINC001087843899 801770775 /nfs/dbraw/zinc/77/07/75/801770775.db2.gz WFKTZWPZHWOVOI-HRCADAONSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)sc2C)[C@H]1C ZINC001088714354 801805095 /nfs/dbraw/zinc/80/50/95/801805095.db2.gz CFJDRRYWZNEWRN-DOMZBBRYSA-N 1 1 292.448 3.134 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2CCC2)CC(C)(C)C1 ZINC001089292908 801830069 /nfs/dbraw/zinc/83/00/69/801830069.db2.gz LHVLCIWWIHFMJU-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC2CC2)CC(C)(C)C1 ZINC001089298635 801830578 /nfs/dbraw/zinc/83/05/78/801830578.db2.gz LVNIPMCBAJBDIV-AWEZNQCLSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccoc2)CC(C)(C)C1 ZINC001089318033 801833338 /nfs/dbraw/zinc/83/33/38/801833338.db2.gz NBJFVSNCNWYJPA-HNNXBMFYSA-N 1 1 290.407 3.076 20 30 CGEDMO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001089684205 801847862 /nfs/dbraw/zinc/84/78/62/801847862.db2.gz OBMMJOCXTVKBHO-YUTCNCBUSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001089684205 801847868 /nfs/dbraw/zinc/84/78/68/801847868.db2.gz OBMMJOCXTVKBHO-YUTCNCBUSA-N 1 1 298.858 3.002 20 30 CGEDMO C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC ZINC001089696358 801850320 /nfs/dbraw/zinc/85/03/20/801850320.db2.gz ZFOFLSPCKIUWDM-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC ZINC001089696359 801851044 /nfs/dbraw/zinc/85/10/44/801851044.db2.gz ZFOFLSPCKIUWDM-OWCLPIDISA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H]1CCc2c(cccc2OC)C1 ZINC001256654646 806941210 /nfs/dbraw/zinc/94/12/10/806941210.db2.gz QDWTXIPOCZZVGL-HNNXBMFYSA-N 1 1 259.393 3.451 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1C[C@H]2C[N@H+](CCCC)C[C@@]2(C)C1 ZINC001091981752 801860605 /nfs/dbraw/zinc/86/06/05/801860605.db2.gz RPYWCPXPGIFHCX-NXHRZFHOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C(C)C)C2 ZINC001095502526 801885221 /nfs/dbraw/zinc/88/52/21/801885221.db2.gz UHYQNITWLTWDBD-JLSDUUJJSA-N 1 1 298.430 3.331 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC(C)(C)C1)C2 ZINC001095982716 801888257 /nfs/dbraw/zinc/88/82/57/801888257.db2.gz ILDVACJXMFOUFI-WCVJEAGWSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(C)CC=CCC1)C2 ZINC001097129997 801898680 /nfs/dbraw/zinc/89/86/80/801898680.db2.gz BBJJGXDLTKLVEG-XLMAVXFVSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCCCCCC1)C2 ZINC001097505830 801898739 /nfs/dbraw/zinc/89/87/39/801898739.db2.gz SOAGPMLGWDOHEV-ZACQAIPSSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CCCC2)C1 ZINC001098684731 801912576 /nfs/dbraw/zinc/91/25/76/801912576.db2.gz ZFZSMAUYWCCNBX-WMZOPIPTSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)CC ZINC001098916776 801919361 /nfs/dbraw/zinc/91/93/61/801919361.db2.gz UFJMXVHPSXCUMG-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)CCC ZINC001098983964 801924435 /nfs/dbraw/zinc/92/44/35/801924435.db2.gz UJRVAURYSRZBDH-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)/C=C/C1CC1 ZINC001099007951 801924853 /nfs/dbraw/zinc/92/48/53/801924853.db2.gz KRIMSNDWAYATFL-KXPUMZMLSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)CC(C)C)C[C@]2(C)C1 ZINC001101108413 801972159 /nfs/dbraw/zinc/97/21/59/801972159.db2.gz HQRLNBNANQUHIO-NUJGCVRESA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)C=C(C)C)C[C@]2(C)C1 ZINC001101112949 801972603 /nfs/dbraw/zinc/97/26/03/801972603.db2.gz GZJSBQIVGOZCLX-JZXOWHBKSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCCCC(=O)N1C[C@H]2C[N@H+](CCCCC)C[C@@]2(C)C1 ZINC001101346679 801977335 /nfs/dbraw/zinc/97/73/35/801977335.db2.gz BKDQQSQEJZMSCS-AEFFLSMTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1C ZINC001101805013 801991932 /nfs/dbraw/zinc/99/19/32/801991932.db2.gz CMPYRUAOBSBVBI-GDBMZVCRSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1C[N@H+](CC(=C)Cl)C[C@H]1C ZINC001102004968 801997980 /nfs/dbraw/zinc/99/79/80/801997980.db2.gz MURLUXUXUMYVLI-TZMCWYRMSA-N 1 1 298.858 3.025 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](CNC(=O)C(C)(C)C2CCC2)[C@H](C)C1 ZINC001102196241 802000216 /nfs/dbraw/zinc/00/02/16/802000216.db2.gz WTGPGOTVKMZVJS-HUUCEWRRSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1C ZINC001102326404 802004168 /nfs/dbraw/zinc/00/41/68/802004168.db2.gz QSWCHKKTSFQLAT-KYJSFNMBSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1C ZINC001102264669 802004298 /nfs/dbraw/zinc/00/42/98/802004298.db2.gz VBSSSEAOUASBDF-VNOZKIMMSA-N 1 1 298.858 3.025 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](CNC(=O)C[C@@H](C)C(C)(C)C)[C@H](C)C1 ZINC001102530043 802012830 /nfs/dbraw/zinc/01/28/30/802012830.db2.gz AABISVBRHPTDQF-BZUAXINKSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC)CCCCC)[C@H](C)C1 ZINC001102591296 802013233 /nfs/dbraw/zinc/01/32/33/802013233.db2.gz DOPGYMHNNUJYPV-IXDOHACOSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2CCCC2)C1 ZINC001102645025 802015546 /nfs/dbraw/zinc/01/55/46/802015546.db2.gz UHYJAXJDTSHFQF-NVXWUHKLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(CC)CC)C1 ZINC001102687297 802018859 /nfs/dbraw/zinc/01/88/59/802018859.db2.gz VGFXRLQSIKGXCN-GDBMZVCRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2(C)CCCC2)C1 ZINC001102941856 802023889 /nfs/dbraw/zinc/02/38/89/802023889.db2.gz JGDQSLXDQFHSEI-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(C)CCCCC2)C1 ZINC001103395723 802032408 /nfs/dbraw/zinc/03/24/08/802032408.db2.gz ITBRMNKVPFQWLE-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(CC)CC2)C1 ZINC001103406715 802033401 /nfs/dbraw/zinc/03/34/01/802033401.db2.gz TXHHOGFHPSWEGR-TZMCWYRMSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCC[C@@H]1C[N@@H+](CC(C)C)C[C@H]1C ZINC001103401887 802033596 /nfs/dbraw/zinc/03/35/96/802033596.db2.gz RPMBKUMDCRSOLB-JFIYKMOQSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)C2CCCC2)C1 ZINC001103630529 802036677 /nfs/dbraw/zinc/03/66/77/802036677.db2.gz VEPWMIYUOISAQY-BFYDXBDKSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(CNC(=O)/C(C)=C\CC)CCC[C@@H]12 ZINC001107311950 802086360 /nfs/dbraw/zinc/08/63/60/802086360.db2.gz OOCJROMSFYAQNS-QEZYIGEASA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](F)CC)CCC[C@@H]12 ZINC001107507451 802089277 /nfs/dbraw/zinc/08/92/77/802089277.db2.gz BOWBCDFVGVLSGD-ZMSDIMECSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCCC)C2 ZINC001108934599 802104718 /nfs/dbraw/zinc/10/47/18/802104718.db2.gz DWTRPUXSLLYCMN-PMPSAXMXSA-N 1 1 278.440 3.254 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)CCC)C2 ZINC001109051966 802105955 /nfs/dbraw/zinc/10/59/55/802105955.db2.gz MCBAHMDSQFXRFU-WCVJEAGWSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C(C)=C\CC)C2 ZINC001109009108 802106712 /nfs/dbraw/zinc/10/67/12/802106712.db2.gz HRRADUYUZDHLMK-CGQVACNSSA-N 1 1 290.451 3.419 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C=C1CCC1)C2 ZINC001109135222 802110250 /nfs/dbraw/zinc/11/02/50/802110250.db2.gz XCUFFHHBHIDTQV-ORQFMDKSSA-N 1 1 288.435 3.173 20 30 CGEDMO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](F)CC)C2 ZINC001109608291 802118192 /nfs/dbraw/zinc/11/81/92/802118192.db2.gz LYUGNVDKLJMJDR-UGUYLWEFSA-N 1 1 296.430 3.202 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C(C)(C)C)C2 ZINC001109608495 802118976 /nfs/dbraw/zinc/11/89/76/802118976.db2.gz SMUUMPUYXREHTI-ILXRZTDVSA-N 1 1 292.467 3.356 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC1CC1)C2 ZINC001109630797 802120486 /nfs/dbraw/zinc/12/04/86/802120486.db2.gz UEFPJJHSMJZRHL-IKGGRYGDSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)C ZINC001109634558 802120835 /nfs/dbraw/zinc/12/08/35/802120835.db2.gz PWWJDNPCLTUTKH-YVSFHVDLSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC=C ZINC001109658111 802121400 /nfs/dbraw/zinc/12/14/00/802121400.db2.gz RHLCHDACKBJCDJ-PMPSAXMXSA-N 1 1 276.424 3.030 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCCC1)C2 ZINC001110228521 802132670 /nfs/dbraw/zinc/13/26/70/802132670.db2.gz OTNJOOMBSFEWNS-DZUCGIPZSA-N 1 1 290.451 3.253 20 30 CGEDMO CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CSC)C2 ZINC001110270030 802134026 /nfs/dbraw/zinc/13/40/26/802134026.db2.gz FGMACKCKGFOYEX-KFWWJZLASA-N 1 1 298.496 3.041 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)c1ccccc1 ZINC001110371243 802137480 /nfs/dbraw/zinc/13/74/80/802137480.db2.gz GYSMFSYBXUADSW-DDBAPUKQSA-N 1 1 298.430 3.435 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)CCC)C2 ZINC001110400826 802140826 /nfs/dbraw/zinc/14/08/26/802140826.db2.gz YYYIBVUKQONTAU-FPCVCCKLSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(F)=C(C)C)C2 ZINC001110447490 802142252 /nfs/dbraw/zinc/14/22/52/802142252.db2.gz GPHQDCXOONOAMZ-YJNKXOJESA-N 1 1 294.414 3.326 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1 ZINC001110608373 802146332 /nfs/dbraw/zinc/14/63/32/802146332.db2.gz KZXAWMDZOIUCRY-KURKYZTESA-N 1 1 298.430 3.264 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@](C)(F)CCCC)C2 ZINC001110742726 802146872 /nfs/dbraw/zinc/14/68/72/802146872.db2.gz PSMJKLQUYWSMQE-PNBKFKSVSA-N 1 1 296.430 3.202 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](C)CC ZINC001110964545 802152822 /nfs/dbraw/zinc/15/28/22/802152822.db2.gz PPVBIRBFGRSQPL-FPCVCCKLSA-N 1 1 278.440 3.110 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1 ZINC001110984220 802153111 /nfs/dbraw/zinc/15/31/11/802153111.db2.gz ANCCBHLVBCLOJI-XLMAVXFVSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)C ZINC001110984784 802153161 /nfs/dbraw/zinc/15/31/61/802153161.db2.gz MROFOLBHXYQLDE-CBZIJGRNSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CCC)C(C)C)C2 ZINC001111083283 802154724 /nfs/dbraw/zinc/15/47/24/802154724.db2.gz XCRCJMNXMDUYKC-VQHPVUNQSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)CC(C)(C)C)C2 ZINC001111056414 802154927 /nfs/dbraw/zinc/15/49/27/802154927.db2.gz NDBLULWURLJARV-JJXSEGSLSA-N 1 1 292.467 3.356 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](CC)C(C)C)C2 ZINC001111296833 802157571 /nfs/dbraw/zinc/15/75/71/802157571.db2.gz XTNUIWZRLJXODK-HZMVEIRTSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](C[C@H](C)CC)C2 ZINC001111856820 802170421 /nfs/dbraw/zinc/17/04/21/802170421.db2.gz JACHPYSDYFLGBS-RYRKJORJSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC2CC2)C1 ZINC001111850941 802171010 /nfs/dbraw/zinc/17/10/10/802171010.db2.gz ZTVKNSPAMFTXBR-WMZOPIPTSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1CC[NH+](CC2=CCCCC2)CC1 ZINC001113243115 802208307 /nfs/dbraw/zinc/20/83/07/802208307.db2.gz DZKKLDFRBXHFKE-MRXNPFEDSA-N 1 1 290.451 3.233 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)CC ZINC001114191456 802239960 /nfs/dbraw/zinc/23/99/60/802239960.db2.gz HRXVDCREKRXNPD-LISAXSMJSA-N 1 1 294.483 3.439 20 30 CGEDMO C=C[C@H](COC)[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC001116643102 802389722 /nfs/dbraw/zinc/38/97/22/802389722.db2.gz JAXGBHFSZFBOFP-GXSJLCMTSA-N 1 1 257.736 3.331 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](C[C@H](O)c2cccc3ccccc32)C1 ZINC001117706991 802479758 /nfs/dbraw/zinc/47/97/58/802479758.db2.gz SZLDVQJEYVKUIR-APWZRJJASA-N 1 1 297.398 3.150 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@@H+]2C[C@H](C)c2ccccc2)C1=O ZINC001273080403 808833423 /nfs/dbraw/zinc/83/34/23/808833423.db2.gz YKGCOSTZRWONER-QFBILLFUSA-N 1 1 298.430 3.043 20 30 CGEDMO C#CC[N@H+](CC1CC1)[C@H](C)c1nc(-c2ccccc2C)no1 ZINC001117932017 802511182 /nfs/dbraw/zinc/51/11/82/802511182.db2.gz JYYWTWBRQFMICW-CQSZACIVSA-N 1 1 295.386 3.451 20 30 CGEDMO C#CC[N@@H+](CC1CC1)[C@H](C)c1nc(-c2ccccc2C)no1 ZINC001117932017 802511186 /nfs/dbraw/zinc/51/11/86/802511186.db2.gz JYYWTWBRQFMICW-CQSZACIVSA-N 1 1 295.386 3.451 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@H](O)c2ccccc2)s1 ZINC001119260113 802640080 /nfs/dbraw/zinc/64/00/80/802640080.db2.gz YEBGDDWHRWWCFH-IAGOWNOFSA-N 1 1 298.411 3.318 20 30 CGEDMO C=CCc1cc(OCC)cc(C[N@@H+](C)CCCF)c1O ZINC001119337870 802651378 /nfs/dbraw/zinc/65/13/78/802651378.db2.gz KTSWMZXCHFFUQL-UHFFFAOYSA-N 1 1 281.371 3.311 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)/C(C)=C/CC)C1 ZINC001120339288 802739251 /nfs/dbraw/zinc/73/92/51/802739251.db2.gz VFUVUAHNRLKXEG-UFWNIKGBSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCOC(=O)N[C@H]1CCC[N@H+](C2CCC(CC)CC2)C1 ZINC001256876235 806999068 /nfs/dbraw/zinc/99/90/68/806999068.db2.gz JYQWUJRPSLOZJM-PCKAHOCUSA-N 1 1 294.439 3.332 20 30 CGEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccncc2C#N)nc1 ZINC001244332904 803309824 /nfs/dbraw/zinc/30/98/24/803309824.db2.gz HVFWJJCBOCFXIW-AWEZNQCLSA-N 1 1 292.386 3.390 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H](NC(=O)C(F)F)CC[C@H]1C ZINC001131742770 803340544 /nfs/dbraw/zinc/34/05/44/803340544.db2.gz HFDMRPLNIADJIZ-CHWSQXEVSA-N 1 1 290.398 3.191 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)c2cccs2)CC[C@@H]1C ZINC001131771177 803343334 /nfs/dbraw/zinc/34/33/34/803343334.db2.gz FNLRLCAWODMQRH-UONOGXRCSA-N 1 1 292.448 3.297 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)CCC2CCC2)CC[C@H]1C ZINC001131943430 803360250 /nfs/dbraw/zinc/36/02/50/803360250.db2.gz PJOKLLPOPFVBQX-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@H+]1C[C@H](NC(=O)C(C)(C)C(C)C)CC[C@H]1C ZINC001132073011 803370800 /nfs/dbraw/zinc/37/08/00/803370800.db2.gz SSPMFTUDEBIHPL-HUUCEWRRSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(C)C)C1 ZINC001132060612 803371899 /nfs/dbraw/zinc/37/18/99/803371899.db2.gz IMTDYYXJPCDVCB-HUUCEWRRSA-N 1 1 280.456 3.214 20 30 CGEDMO CC#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC=C(C)C)C1 ZINC001132224858 803382315 /nfs/dbraw/zinc/38/23/15/803382315.db2.gz RHDVXMZSLGEFKM-DLBZAZTESA-N 1 1 290.451 3.115 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)C2(CCC)CC2)CC[C@H]1C ZINC001132273356 803389734 /nfs/dbraw/zinc/38/97/34/803389734.db2.gz FKXZKHKBFKGYJY-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CCCF)C2)CC1 ZINC001132290583 803391380 /nfs/dbraw/zinc/39/13/80/803391380.db2.gz FJXQULJFWNVJQB-HUUCEWRRSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)C2CC3(CC3)C2)CC[C@@H]1C ZINC001132291293 803392749 /nfs/dbraw/zinc/39/27/49/803392749.db2.gz IYFKOWGZIGWKRA-HOCLYGCPSA-N 1 1 290.451 3.112 20 30 CGEDMO Cc1ccc(-c2c[nH+]c(N(C)C)cc2C)cc1C#N ZINC001244484306 803395444 /nfs/dbraw/zinc/39/54/44/803395444.db2.gz ILTNBTFIXOOADZ-UHFFFAOYSA-N 1 1 251.333 3.303 20 30 CGEDMO C#CCC[N@H+]1C[C@H](NC(=O)CCCCC(C)C)CC[C@H]1C ZINC001132368471 803398183 /nfs/dbraw/zinc/39/81/83/803398183.db2.gz NOWLXLQBTQNEGC-IAGOWNOFSA-N 1 1 292.467 3.195 20 30 CGEDMO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)CCCCC)CC[C@@H]1C ZINC001132500244 803408802 /nfs/dbraw/zinc/40/88/02/803408802.db2.gz OGDRRFHMVXFVMH-HOTGVXAUSA-N 1 1 292.467 3.195 20 30 CGEDMO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)CCCCC)CC[C@@H]1C ZINC001132500244 803408825 /nfs/dbraw/zinc/40/88/25/803408825.db2.gz OGDRRFHMVXFVMH-HOTGVXAUSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCCCC(=O)NCC[NH2+][C@@H](C)c1c(F)cccc1F ZINC001133157796 803458005 /nfs/dbraw/zinc/45/80/05/803458005.db2.gz QVNOMRPAEBOJSJ-LBPRGKRZSA-N 1 1 296.361 3.088 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2c[nH]c3cc(C)ccc23)C1 ZINC001136974639 803666311 /nfs/dbraw/zinc/66/63/11/803666311.db2.gz HBXVRMIQDOUEAT-CQSZACIVSA-N 1 1 252.361 3.322 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)cc1 ZINC001137115396 803684899 /nfs/dbraw/zinc/68/48/99/803684899.db2.gz LWIBIWNHBNMNIK-CVEARBPZSA-N 1 1 270.376 3.211 20 30 CGEDMO C[C@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CCC[C@@H]1C ZINC001137115483 803685213 /nfs/dbraw/zinc/68/52/13/803685213.db2.gz QGRGOUNBSWACKK-GJZGRUSLSA-N 1 1 272.392 3.457 20 30 CGEDMO CC[N@@H+](Cc1ccc(OCC#N)cc1)Cc1ccccc1O ZINC001137121471 803685394 /nfs/dbraw/zinc/68/53/94/803685394.db2.gz NCIBXRYMTOFCMV-UHFFFAOYSA-N 1 1 296.370 3.317 20 30 CGEDMO O=C1C=C2C[N@@H+](Cc3cnc4ccccc4c3)CC[C@@H]2S1 ZINC001137278307 803707823 /nfs/dbraw/zinc/70/78/23/803707823.db2.gz UPGQVIUNCHHGME-INIZCTEOSA-N 1 1 296.395 3.009 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3cnc4ccccc4c3)CC[C@@H]2S1 ZINC001137278307 803707827 /nfs/dbraw/zinc/70/78/27/803707827.db2.gz UPGQVIUNCHHGME-INIZCTEOSA-N 1 1 296.395 3.009 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1cccc2ncccc12 ZINC001137628362 803745953 /nfs/dbraw/zinc/74/59/53/803745953.db2.gz ZDYHDSUTSXYVPA-UHFFFAOYSA-N 1 1 253.349 3.360 20 30 CGEDMO N#CC1CC[NH+](Cc2ccc(N3CCCCC3)o2)CC1 ZINC001138170742 803870437 /nfs/dbraw/zinc/87/04/37/803870437.db2.gz CPFKTJGPHKSTCQ-UHFFFAOYSA-N 1 1 273.380 3.005 20 30 CGEDMO Cc1[nH+]ccn1-c1ccc(CN2CCCC[C@@H]2C#N)cc1 ZINC001138549029 803963575 /nfs/dbraw/zinc/96/35/75/803963575.db2.gz OGJVUBSPKZJMAL-QGZVFWFLSA-N 1 1 280.375 3.059 20 30 CGEDMO CC(C)(C)c1n[nH]cc1C[N@@H+]1CCc2cc(C#N)ccc2C1 ZINC001138575706 803973266 /nfs/dbraw/zinc/97/32/66/803973266.db2.gz ZVRMUVZNZNLVKL-UHFFFAOYSA-N 1 1 294.402 3.137 20 30 CGEDMO CC(C)(C)c1n[nH]cc1C[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001138575706 803973272 /nfs/dbraw/zinc/97/32/72/803973272.db2.gz ZVRMUVZNZNLVKL-UHFFFAOYSA-N 1 1 294.402 3.137 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2CCC[C@@](C)(F)C2)c1O ZINC001138625492 803983968 /nfs/dbraw/zinc/98/39/68/803983968.db2.gz MLVXZSLHOFOMGD-MRXNPFEDSA-N 1 1 263.356 3.445 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+](CC)CC(C)(C)O ZINC001138665723 803997240 /nfs/dbraw/zinc/99/72/40/803997240.db2.gz VLFAOWJUZFXHCC-UHFFFAOYSA-N 1 1 277.408 3.234 20 30 CGEDMO CCCCCCCC[C@H](O)CNc1ccc(N)[nH+]c1 ZINC001245954471 804090798 /nfs/dbraw/zinc/09/07/98/804090798.db2.gz GKVAHJRPDCXRNY-AWEZNQCLSA-N 1 1 265.401 3.187 20 30 CGEDMO CCCCCCCC[C@@H](O)CN1CCC2(CCC[NH2+]2)CC1 ZINC001246025323 804100760 /nfs/dbraw/zinc/10/07/60/804100760.db2.gz HHOQBVCIAOMROQ-QGZVFWFLSA-N 1 1 296.499 3.316 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[NH2+]CC1(N)CCC1 ZINC001246021629 804100773 /nfs/dbraw/zinc/10/07/73/804100773.db2.gz UELJDXUZKCZXRE-MRXNPFEDSA-N 1 1 284.488 3.349 20 30 CGEDMO CCCCCCCCCC[C@@H](O)CNCC1([NH3+])CCC1 ZINC001246021629 804100778 /nfs/dbraw/zinc/10/07/78/804100778.db2.gz UELJDXUZKCZXRE-MRXNPFEDSA-N 1 1 284.488 3.349 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCCC[C@@H]1COC ZINC001139028877 804112406 /nfs/dbraw/zinc/11/24/06/804112406.db2.gz HNSRWTPPPFPAFB-MRXNPFEDSA-N 1 1 275.392 3.252 20 30 CGEDMO COc1ccc2c(c1)c(C[N@H+]1CCC[C@H](CC#N)C1)cn2C ZINC001139150538 804137923 /nfs/dbraw/zinc/13/79/23/804137923.db2.gz PLHWMEHJLHKDJG-CQSZACIVSA-N 1 1 297.402 3.313 20 30 CGEDMO CCn1ccc2c1cccc2C[N@H+]1CC[C@@](C)(C#N)C1 ZINC001139156054 804143201 /nfs/dbraw/zinc/14/32/01/804143201.db2.gz YDZMVMADVXSTOL-KRWDZBQOSA-N 1 1 267.376 3.397 20 30 CGEDMO CCn1ccc2c1cccc2C[N@@H+]1CC[C@H](C#N)C1 ZINC001139158507 804144023 /nfs/dbraw/zinc/14/40/23/804144023.db2.gz PCBRCAGIFKIXBH-CYBMUJFWSA-N 1 1 253.349 3.007 20 30 CGEDMO CCn1ccc2c1cccc2C[N@H+]1CC[C@H](C#N)C1 ZINC001139158507 804144030 /nfs/dbraw/zinc/14/40/30/804144030.db2.gz PCBRCAGIFKIXBH-CYBMUJFWSA-N 1 1 253.349 3.007 20 30 CGEDMO CCCCCCC[C@H](CC)N[C@@H]1C[NH2+]CC12CC2 ZINC001246136730 804160816 /nfs/dbraw/zinc/16/08/16/804160816.db2.gz XRJZBVLTIBGRAX-LSDHHAIUSA-N 1 1 252.446 3.467 20 30 CGEDMO CCC[N@@H+](C)Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139399999 804186996 /nfs/dbraw/zinc/18/69/96/804186996.db2.gz BERQOLDOWIABTL-UHFFFAOYSA-N 1 1 265.360 3.462 20 30 CGEDMO C[C@]1(F)CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001139526083 804201070 /nfs/dbraw/zinc/20/10/70/804201070.db2.gz TWNYYCROPFFDTD-HNNXBMFYSA-N 1 1 264.319 3.411 20 30 CGEDMO CCCCCCC[C@@H](CCC)[NH2+][C@@H]1CCNC[C@H]1OC ZINC001246219461 804212813 /nfs/dbraw/zinc/21/28/13/804212813.db2.gz ZDNMKTKGLJZJIR-BRWVUGGUSA-N 1 1 284.488 3.482 20 30 CGEDMO C#Cc1cccc(CN[C@H]2CC[NH2+][C@H](CCCC)C2)c1 ZINC001246261401 804243065 /nfs/dbraw/zinc/24/30/65/804243065.db2.gz DHPGQFINKARYST-MSOLQXFVSA-N 1 1 270.420 3.068 20 30 CGEDMO C[C@H]1C[C@H]2C[N@H+](Cc3cccc(Cl)c3C#N)CC[C@H]2O1 ZINC001139688487 804254939 /nfs/dbraw/zinc/25/49/39/804254939.db2.gz NAXWOCGOIUEMLC-DETPVDSQSA-N 1 1 290.794 3.211 20 30 CGEDMO C[C@H]1C[C@H]2C[N@@H+](Cc3cccc(Cl)c3C#N)CC[C@H]2O1 ZINC001139688487 804254945 /nfs/dbraw/zinc/25/49/45/804254945.db2.gz NAXWOCGOIUEMLC-DETPVDSQSA-N 1 1 290.794 3.211 20 30 CGEDMO CSCC[N@H+](C)Cc1cccc(Cl)c1C#N ZINC001139693469 804255880 /nfs/dbraw/zinc/25/58/80/804255880.db2.gz HQNGHUMPWJNGDN-UHFFFAOYSA-N 1 1 254.786 3.006 20 30 CGEDMO CSCC[N@@H+](C)Cc1cccc(Cl)c1C#N ZINC001139693469 804255886 /nfs/dbraw/zinc/25/58/86/804255886.db2.gz HQNGHUMPWJNGDN-UHFFFAOYSA-N 1 1 254.786 3.006 20 30 CGEDMO CC[N@@H+](C)C1CCN(Cc2cccc(Cl)c2C#N)CC1 ZINC001139693141 804256810 /nfs/dbraw/zinc/25/68/10/804256810.db2.gz QXOIOLGVLVPIGA-UHFFFAOYSA-N 1 1 291.826 3.128 20 30 CGEDMO COC[C@@H]1CCCC[N@H+]1Cc1c[nH]c2c1cccc2C#N ZINC001139701887 804258622 /nfs/dbraw/zinc/25/86/22/804258622.db2.gz RSMYYUSVYORHOD-HNNXBMFYSA-N 1 1 283.375 3.040 20 30 CGEDMO N#Cc1cccc2c(C[N@@H+]3CCC[C@H](CF)C3)c[nH]c21 ZINC001139703317 804260155 /nfs/dbraw/zinc/26/01/55/804260155.db2.gz NMXRLMFULRWOPI-GFCCVEGCSA-N 1 1 271.339 3.221 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C)c(C#N)c1)C1CCOCC1 ZINC001139727273 804267280 /nfs/dbraw/zinc/26/72/80/804267280.db2.gz LQGREGJMIVHTLH-UHFFFAOYSA-N 1 1 272.392 3.258 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCc3ccc(C#N)cc3C2)cc1C#N ZINC001139722868 804268085 /nfs/dbraw/zinc/26/80/85/804268085.db2.gz JTCGJEFOJLUDLQ-UHFFFAOYSA-N 1 1 287.366 3.297 20 30 CGEDMO Cc1ccc(C[N@H+]2CCc3ccc(C#N)cc3C2)cc1C#N ZINC001139722868 804268094 /nfs/dbraw/zinc/26/80/94/804268094.db2.gz JTCGJEFOJLUDLQ-UHFFFAOYSA-N 1 1 287.366 3.297 20 30 CGEDMO C=CCn1cc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)cn1 ZINC001139772577 804277215 /nfs/dbraw/zinc/27/72/15/804277215.db2.gz LIOJHPFLCVKXII-CVEARBPZSA-N 1 1 259.397 3.224 20 30 CGEDMO CC[N@@H+](Cc1c[nH]c2ccc(C#N)cc12)Cc1ccncc1 ZINC001140112044 804380630 /nfs/dbraw/zinc/38/06/30/804380630.db2.gz PPPQBAIOGHRDEW-UHFFFAOYSA-N 1 1 290.370 3.457 20 30 CGEDMO C[N@H+](Cc1c[nH]c2ccc(C#N)cc12)C[C@@H]1CCCCO1 ZINC001140114471 804380952 /nfs/dbraw/zinc/38/09/52/804380952.db2.gz QTPUJPYKVBZTIF-HNNXBMFYSA-N 1 1 283.375 3.040 20 30 CGEDMO N#C[C@H]1CC[N@H+](Cc2ccccc2-c2cccnc2)C1 ZINC001140320727 804411609 /nfs/dbraw/zinc/41/16/09/804411609.db2.gz PFWBUIRGZGKPLI-CQSZACIVSA-N 1 1 263.344 3.094 20 30 CGEDMO N#C[C@H]1CC[N@@H+](Cc2ccccc2-c2cccnc2)C1 ZINC001140320727 804411613 /nfs/dbraw/zinc/41/16/13/804411613.db2.gz PFWBUIRGZGKPLI-CQSZACIVSA-N 1 1 263.344 3.094 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC001140381421 804427184 /nfs/dbraw/zinc/42/71/84/804427184.db2.gz ZIHGRJPLTTWURD-INIZCTEOSA-N 1 1 277.371 3.484 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC001140381421 804427188 /nfs/dbraw/zinc/42/71/88/804427188.db2.gz ZIHGRJPLTTWURD-INIZCTEOSA-N 1 1 277.371 3.484 20 30 CGEDMO CCCCCCC[C@@H](CCC)[N@H+]1CCNC[C@H]1COC ZINC001246593471 804435385 /nfs/dbraw/zinc/43/53/85/804435385.db2.gz IATZIXKDUKRSCD-SJORKVTESA-N 1 1 284.488 3.436 20 30 CGEDMO CCCCCCC[C@@H](CCC)N1CC[NH2+]C[C@H]1COC ZINC001246593471 804435386 /nfs/dbraw/zinc/43/53/86/804435386.db2.gz IATZIXKDUKRSCD-SJORKVTESA-N 1 1 284.488 3.436 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CCNC[C@H]1COC ZINC001246596985 804437022 /nfs/dbraw/zinc/43/70/22/804437022.db2.gz QWZFHROJQZSQSM-CVEARBPZSA-N 1 1 270.461 3.046 20 30 CGEDMO CCCCCCC[C@@H](CC)N1CC[NH2+]C[C@H]1COC ZINC001246596985 804437027 /nfs/dbraw/zinc/43/70/27/804437027.db2.gz QWZFHROJQZSQSM-CVEARBPZSA-N 1 1 270.461 3.046 20 30 CGEDMO C=CC1(CC(=O)N2CC[N@H+](CC)C[C@H]2C)CCCCC1 ZINC001140510633 804450369 /nfs/dbraw/zinc/45/03/69/804450369.db2.gz TXJSLPCZPPQMEJ-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@H](c2ccccc2)C2(CNC2)C1 ZINC001246616676 804452568 /nfs/dbraw/zinc/45/25/68/804452568.db2.gz ADUFTLKLPNYQMY-NVXWUHKLSA-N 1 1 270.420 3.030 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@H](c2ccccc2)C2(CNC2)C1 ZINC001246616676 804452572 /nfs/dbraw/zinc/45/25/72/804452572.db2.gz ADUFTLKLPNYQMY-NVXWUHKLSA-N 1 1 270.420 3.030 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC001140538517 804455267 /nfs/dbraw/zinc/45/52/67/804455267.db2.gz DPSKCKAKYNHSGC-LLVKDONJSA-N 1 1 251.732 3.324 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC001140538517 804455269 /nfs/dbraw/zinc/45/52/69/804455269.db2.gz DPSKCKAKYNHSGC-LLVKDONJSA-N 1 1 251.732 3.324 20 30 CGEDMO CC(C)OC1CC[NH+](Cc2cc(F)c(C#N)c(F)c2)CC1 ZINC001140753752 804505997 /nfs/dbraw/zinc/50/59/97/804505997.db2.gz LMVIKTZUNLVWAE-UHFFFAOYSA-N 1 1 294.345 3.226 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140923970 804550178 /nfs/dbraw/zinc/55/01/78/804550178.db2.gz AAHZPJORNNSIOH-CYBMUJFWSA-N 1 1 276.811 3.251 20 30 CGEDMO N#CC1CCC(N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC001256965326 807018986 /nfs/dbraw/zinc/01/89/86/807018986.db2.gz RJWLFYXILKYJOS-UHFFFAOYSA-N 1 1 275.440 3.019 20 30 CGEDMO N#CC1CCC([N@H+]2CCO[C@@H](Cc3ccccc3)C2)CC1 ZINC001256973304 807020564 /nfs/dbraw/zinc/02/05/64/807020564.db2.gz OKBIGSYNSFGRDW-ABHNRTSZSA-N 1 1 284.403 3.012 20 30 CGEDMO N#CCC1C[NH+](Cc2ccc(-c3ccccn3)s2)C1 ZINC001141003343 804567730 /nfs/dbraw/zinc/56/77/30/804567730.db2.gz RVGIXFPFCRABPE-UHFFFAOYSA-N 1 1 269.373 3.156 20 30 CGEDMO N#CC1CCC([N@H+]2CCOC[C@@H]2C2CCCCC2)CC1 ZINC001256972442 807021428 /nfs/dbraw/zinc/02/14/28/807021428.db2.gz YKQUERQKSSTENI-BDVYOWHSSA-N 1 1 276.424 3.350 20 30 CGEDMO C[C@H]1C[N@@H+](C2CCC(C#N)(c3ccccc3)CC2)[C@@H](C)CN1 ZINC001246868259 804571093 /nfs/dbraw/zinc/57/10/93/804571093.db2.gz AYQZWOPJNWQELB-XYCLOBBJSA-N 1 1 297.446 3.073 20 30 CGEDMO C[C@H]1C[N@H+](C2CCC(C#N)(c3ccccc3)CC2)[C@@H](C)CN1 ZINC001246868259 804571098 /nfs/dbraw/zinc/57/10/98/804571098.db2.gz AYQZWOPJNWQELB-XYCLOBBJSA-N 1 1 297.446 3.073 20 30 CGEDMO CC[N@H+](CCC#N)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141076667 804584848 /nfs/dbraw/zinc/58/48/48/804584848.db2.gz YSYRKJQJSPOIGN-UHFFFAOYSA-N 1 1 283.419 3.121 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141076667 804584851 /nfs/dbraw/zinc/58/48/51/804584851.db2.gz YSYRKJQJSPOIGN-UHFFFAOYSA-N 1 1 283.419 3.121 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141077953 804585164 /nfs/dbraw/zinc/58/51/64/804585164.db2.gz GHORWTJJXBJDIF-IBGZPJMESA-N 1 1 295.430 3.121 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141077953 804585170 /nfs/dbraw/zinc/58/51/70/804585170.db2.gz GHORWTJJXBJDIF-IBGZPJMESA-N 1 1 295.430 3.121 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2sc(N)c(C#N)c2Cl)[C@@H]1C ZINC001141112220 804592274 /nfs/dbraw/zinc/59/22/74/804592274.db2.gz UJNYZJOOXWAHCG-RKDXNWHRSA-N 1 1 283.828 3.476 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+](C1CCC1)[C@@H]1CCCNC1 ZINC001246989005 804630153 /nfs/dbraw/zinc/63/01/53/804630153.db2.gz QZJZCRQQCOQHMH-HNAYVOBHSA-N 1 1 297.446 3.096 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C1CCC1)[C@@H]1CCCNC1 ZINC001246989005 804630158 /nfs/dbraw/zinc/63/01/58/804630158.db2.gz QZJZCRQQCOQHMH-HNAYVOBHSA-N 1 1 297.446 3.096 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@@]2(C1)CNCCO2 ZINC001246991043 804632144 /nfs/dbraw/zinc/63/21/44/804632144.db2.gz YDUVKOKAJXEBSE-IRXDYDNUSA-N 1 1 282.472 3.190 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CCC[C@](C)(CN)C3)C[C@H](C1)C2 ZINC001247001751 804635297 /nfs/dbraw/zinc/63/52/97/804635297.db2.gz KSRWZABOHZTEQW-FCLJQHQZSA-N 1 1 262.441 3.182 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCC[C@](C)(CN)C3)C[C@H](C1)C2 ZINC001247001751 804635301 /nfs/dbraw/zinc/63/53/01/804635301.db2.gz KSRWZABOHZTEQW-FCLJQHQZSA-N 1 1 262.441 3.182 20 30 CGEDMO CSc1nc(C[N@H+](C)Cc2cccc(O)c2)ccc1C#N ZINC001141932326 804680300 /nfs/dbraw/zinc/68/03/00/804680300.db2.gz XTJDFAFRKAPZCE-UHFFFAOYSA-N 1 1 299.399 3.013 20 30 CGEDMO CSc1nc(C[N@@H+](C)Cc2cccc(O)c2)ccc1C#N ZINC001141932326 804680306 /nfs/dbraw/zinc/68/03/06/804680306.db2.gz XTJDFAFRKAPZCE-UHFFFAOYSA-N 1 1 299.399 3.013 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001142279566 804712145 /nfs/dbraw/zinc/71/21/45/804712145.db2.gz BTRIOGADLSPVCQ-GASCZTMLSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2cc(F)c(C)c(F)c2)no1 ZINC001247622079 804782971 /nfs/dbraw/zinc/78/29/71/804782971.db2.gz FKTWXMKVVKMUDK-LBPRGKRZSA-N 1 1 279.290 3.289 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cccc(C)c2F)no1 ZINC001247622040 804783119 /nfs/dbraw/zinc/78/31/19/804783119.db2.gz DBPBETBMFARSJK-LLVKDONJSA-N 1 1 261.300 3.150 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2ccc3c(ccn3C)c2)no1 ZINC001247622736 804783668 /nfs/dbraw/zinc/78/36/68/804783668.db2.gz NRFXBRLGKRPJEV-ZDUSSCGKSA-N 1 1 282.347 3.194 20 30 CGEDMO C[C@]1(C#N)CC[N@H+]([C@@H]2CCO[C@H](c3ccccc3)C2)C1 ZINC001256828164 806988599 /nfs/dbraw/zinc/98/85/99/806988599.db2.gz FRVCXJDRSVOYQK-IXDOHACOSA-N 1 1 270.376 3.142 20 30 CGEDMO CC(C)(C)c1cccc(C[N@@H+]2CCC[C@H](C#N)C2)c1O ZINC001143111553 804803324 /nfs/dbraw/zinc/80/33/24/804803324.db2.gz COGOJFFRBOMKBI-CYBMUJFWSA-N 1 1 272.392 3.425 20 30 CGEDMO CC(C)(C)c1cccc(C[N@H+]2CCC[C@H](C#N)C2)c1O ZINC001143111553 804803330 /nfs/dbraw/zinc/80/33/30/804803330.db2.gz COGOJFFRBOMKBI-CYBMUJFWSA-N 1 1 272.392 3.425 20 30 CGEDMO C[N@@H+](Cc1cc2cccnc2[nH]1)Cc1ccc(C#N)cc1 ZINC001143220381 804822598 /nfs/dbraw/zinc/82/25/98/804822598.db2.gz KSWQOWMDPDSTSX-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO Cc1cc(-c2noc([C@@H]([NH3+])C3CCCCC3)n2)ccc1C#N ZINC001247821313 804841223 /nfs/dbraw/zinc/84/12/23/804841223.db2.gz VVYIDODRZPGXIM-HNNXBMFYSA-N 1 1 296.374 3.497 20 30 CGEDMO C[C@@H]([NH3+])c1nc(-c2ccc(-c3ccc(C#N)cc3)cc2)no1 ZINC001247941375 804854019 /nfs/dbraw/zinc/85/40/19/804854019.db2.gz ZPUKFRQVMQOZSM-LLVKDONJSA-N 1 1 290.326 3.295 20 30 CGEDMO CCOc1cc(F)c(C[NH+]2CCC(CC#N)CC2)c(F)c1 ZINC001143574825 804867529 /nfs/dbraw/zinc/86/75/29/804867529.db2.gz KMPXBZLLUXDLKG-UHFFFAOYSA-N 1 1 294.345 3.489 20 30 CGEDMO CC(C)(C)C[C@@H]([NH3+])c1nc(-c2cc(C#N)ccc2F)no1 ZINC001248205531 804895343 /nfs/dbraw/zinc/89/53/43/804895343.db2.gz LPTCJKGLXZLQND-GFCCVEGCSA-N 1 1 288.326 3.183 20 30 CGEDMO N#Cc1ccc(C2CCC([N@H+]3CC[C@@H](C#N)C3)CC2)cc1 ZINC001257018921 807029031 /nfs/dbraw/zinc/02/90/31/807029031.db2.gz HNIGUQOONCJDIV-ZLPCBKJTSA-N 1 1 279.387 3.430 20 30 CGEDMO N#Cc1ccc(C2CCC([N@H+]3C[C@H]4CC[C@@H]3CO4)CC2)cc1 ZINC001257023048 807029387 /nfs/dbraw/zinc/02/93/87/807029387.db2.gz UCYDARMQHXSUEU-CSODTCANSA-N 1 1 296.414 3.448 20 30 CGEDMO C#CC[N@H+](C)Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001248883447 805033183 /nfs/dbraw/zinc/03/31/83/805033183.db2.gz HLPJXJBXVWOWOE-UHFFFAOYSA-N 1 1 265.784 3.408 20 30 CGEDMO C=CCCCCCCCCC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001144797538 805056125 /nfs/dbraw/zinc/05/61/25/805056125.db2.gz CLAJSLOYGHXVSX-CALCHBBNSA-N 1 1 292.467 3.313 20 30 CGEDMO C[N@H+](Cc1cc2ccc(C#N)cc2[nH]1)Cc1ccccn1 ZINC001249426138 805146503 /nfs/dbraw/zinc/14/65/03/805146503.db2.gz GIWDVOOONBQVAF-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO C[N@@H+](Cc1cc2ccc(C#N)cc2[nH]1)Cc1ccccn1 ZINC001249426138 805146507 /nfs/dbraw/zinc/14/65/07/805146507.db2.gz GIWDVOOONBQVAF-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2cc3ccc(C#N)cc3[nH]2)[C@H](C)C1 ZINC001249430826 805148803 /nfs/dbraw/zinc/14/88/03/805148803.db2.gz IDXBFAXFKCTMQE-MLGOLLRUSA-N 1 1 283.375 3.039 20 30 CGEDMO CC(C)(C)c1c[nH]c(C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC001249479211 805157057 /nfs/dbraw/zinc/15/70/57/805157057.db2.gz SRUSZXKNGJTNPH-CYBMUJFWSA-N 1 1 259.397 3.438 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(CN(C(=O)C3(CCC)CC3)C2)C1 ZINC001148240888 805169230 /nfs/dbraw/zinc/16/92/30/805169230.db2.gz AXIYMRCFCAGNPF-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC2(C1)CC[N@H+](CCCCC)C2 ZINC001148371218 805177936 /nfs/dbraw/zinc/17/79/36/805177936.db2.gz KROSPYXRDMSKPR-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO N#Cc1cccc(Nc2cc[nH+]cc2C(F)(F)F)c1 ZINC001249586524 805182058 /nfs/dbraw/zinc/18/20/58/805182058.db2.gz FOYJIWPFIMPCNL-UHFFFAOYSA-N 1 1 263.222 3.138 20 30 CGEDMO C=C(C)CC[N@H+]1CCC2(CN(C(=O)CCC(C)(C)C)C2)C1 ZINC001148471508 805185164 /nfs/dbraw/zinc/18/51/64/805185164.db2.gz BWPIEQDWBQTNLE-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO CCCCCCCNC(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[N@H+]2C1 ZINC001148483388 805187740 /nfs/dbraw/zinc/18/77/40/805187740.db2.gz FGGZMPZUNJMQFK-ARFHVFGLSA-N 1 1 280.456 3.193 20 30 CGEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)CCCCCC)C2)C1 ZINC001148715024 805206033 /nfs/dbraw/zinc/20/60/33/805206033.db2.gz QJLLFMJARKSHDE-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)c1cccc(F)c1 ZINC001151660276 805305609 /nfs/dbraw/zinc/30/56/09/805305609.db2.gz XBFNEALHANYTER-CQSZACIVSA-N 1 1 292.398 3.232 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)CCC(C)C ZINC001151766658 805310631 /nfs/dbraw/zinc/31/06/31/805310631.db2.gz NCPQWGSIIGTEFQ-CYBMUJFWSA-N 1 1 274.836 3.002 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)CCC(C)C ZINC001151766658 805310637 /nfs/dbraw/zinc/31/06/37/805310637.db2.gz NCPQWGSIIGTEFQ-CYBMUJFWSA-N 1 1 274.836 3.002 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)CCC ZINC001152302286 805342770 /nfs/dbraw/zinc/34/27/70/805342770.db2.gz CLFVYOAWWJTUAW-GXTWGEPZSA-N 1 1 288.863 3.392 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)CCC ZINC001152302286 805342761 /nfs/dbraw/zinc/34/27/61/805342761.db2.gz CLFVYOAWWJTUAW-GXTWGEPZSA-N 1 1 288.863 3.392 20 30 CGEDMO C=CCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(F)cc1 ZINC001152313441 805343564 /nfs/dbraw/zinc/34/35/64/805343564.db2.gz LUMJKDISVXDOCC-CQSZACIVSA-N 1 1 292.398 3.119 20 30 CGEDMO C=CCCC(=O)NC[C@@H](C)[N@@H+](CC)CCCC1CCC1 ZINC001152313834 805343666 /nfs/dbraw/zinc/34/36/66/805343666.db2.gz VTZBKUKDEJJDQG-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1cccc(F)c1C ZINC001153521596 805401544 /nfs/dbraw/zinc/40/15/44/805401544.db2.gz JAHRGNKCSPTICN-CYBMUJFWSA-N 1 1 292.398 3.150 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@]1(C)CC=CCC1 ZINC001153567361 805403228 /nfs/dbraw/zinc/40/32/28/805403228.db2.gz WFVRJQHAGQNQHS-NVXWUHKLSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)CC(F)F ZINC001154364697 805452820 /nfs/dbraw/zinc/45/28/20/805452820.db2.gz ZVCVNLSJGMORBZ-CHWSQXEVSA-N 1 1 290.398 3.071 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)CCC(C)C ZINC001154605786 805467070 /nfs/dbraw/zinc/46/70/70/805467070.db2.gz QXHYWHBRXHOVDS-CQSZACIVSA-N 1 1 268.445 3.071 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)C1CC2(CCC2)C1 ZINC001154724820 805481584 /nfs/dbraw/zinc/48/15/84/805481584.db2.gz NXWWWEXNILIKSI-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)CC=C(C)C ZINC001154751264 805482432 /nfs/dbraw/zinc/48/24/32/805482432.db2.gz SQZCSJJMZGYEFQ-HZPDHXFCSA-N 1 1 280.456 3.382 20 30 CGEDMO N#Cc1ccc(C2CCC([N@H+]3CCC[C@@H](O)C3)CC2)cc1 ZINC001257016123 807027646 /nfs/dbraw/zinc/02/76/46/807027646.db2.gz VYPUKBVGYKFJKA-DAWZGUTISA-N 1 1 284.403 3.041 20 30 CGEDMO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1[C@H](CC)CCC ZINC001257263604 807078527 /nfs/dbraw/zinc/07/85/27/807078527.db2.gz UOYQCZOFNLHGSZ-GDBMZVCRSA-N 1 1 291.439 3.101 20 30 CGEDMO C=CCn1ccc2c1nc[nH+]c2NCCc1ccsc1 ZINC001166784555 807099177 /nfs/dbraw/zinc/09/91/77/807099177.db2.gz XUNPBSONTFOWIU-UHFFFAOYSA-N 1 1 284.388 3.333 20 30 CGEDMO C=CCOC(=O)N1CCC[C@]2(CC[N@H+]([C@@H](C)CCC)C2)C1 ZINC001257317233 807102914 /nfs/dbraw/zinc/10/29/14/807102914.db2.gz VCDCHVLVKSRIIV-DOTOQJQBSA-N 1 1 294.439 3.286 20 30 CGEDMO COc1ccc(CCN(C)c2[nH+]c(C)ccc2CC#N)cc1 ZINC001166826092 807107948 /nfs/dbraw/zinc/10/79/48/807107948.db2.gz QWWYJHBKRIIDLC-UHFFFAOYSA-N 1 1 295.386 3.144 20 30 CGEDMO C#CC[N@H+](CCN(C)Cc1ccccc1)C1CCCCC1 ZINC001167273702 807174539 /nfs/dbraw/zinc/17/45/39/807174539.db2.gz PVPPMLSBSYZJJD-UHFFFAOYSA-N 1 1 284.447 3.386 20 30 CGEDMO C#CCN(CC[N@@H+](C)Cc1ccccc1)C1CCCCC1 ZINC001167273702 807174540 /nfs/dbraw/zinc/17/45/40/807174540.db2.gz PVPPMLSBSYZJJD-UHFFFAOYSA-N 1 1 284.447 3.386 20 30 CGEDMO C#CCN(CC[N@H+](C)Cc1ccccc1)C1CCCCC1 ZINC001167273702 807174543 /nfs/dbraw/zinc/17/45/43/807174543.db2.gz PVPPMLSBSYZJJD-UHFFFAOYSA-N 1 1 284.447 3.386 20 30 CGEDMO Cc1cc(F)ccc1[C@@H](O)C[N@@H+](CCC#N)CC(C)C ZINC001167457750 807194547 /nfs/dbraw/zinc/19/45/47/807194547.db2.gz JXQMEGZKAASNRG-INIZCTEOSA-N 1 1 278.371 3.039 20 30 CGEDMO Cc1cc(F)ccc1[C@@H](O)C[N@H+](CCC#N)CC(C)C ZINC001167457750 807194550 /nfs/dbraw/zinc/19/45/50/807194550.db2.gz JXQMEGZKAASNRG-INIZCTEOSA-N 1 1 278.371 3.039 20 30 CGEDMO CCCCCCCNC(=O)[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001167580838 807207954 /nfs/dbraw/zinc/20/79/54/807207954.db2.gz RMHNXEQEDMVPGI-OAHLLOKOSA-N 1 1 268.445 3.193 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3C[C@H](C(=O)OC)CC[C@H]3C)C[C@H](C1)C2 ZINC001257891754 807241124 /nfs/dbraw/zinc/24/11/24/807241124.db2.gz OBXNAFHYLMDGPR-VDWCLKJHSA-N 1 1 291.435 3.395 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCCNc1cnc2[nH]cc(C#N)c2c1 ZINC001167752301 807241661 /nfs/dbraw/zinc/24/16/61/807241661.db2.gz DNRAOLRQLDQROS-CYBMUJFWSA-N 1 1 297.406 3.111 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3C[C@H]4[C@H](C3)CCCN4C)C[C@H](C1)C2 ZINC001257894352 807244242 /nfs/dbraw/zinc/24/42/42/807244242.db2.gz QMCWDRPXQMFYGN-VTEPJNGRSA-N 1 1 274.452 3.147 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CCO[C@H](C(F)(F)F)C3)C[C@H](C1)C2 ZINC001257895593 807244795 /nfs/dbraw/zinc/24/47/95/807244795.db2.gz UXVKRSTUKNFDFT-PIGZVRMJSA-N 1 1 289.341 3.384 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCC[C@]4(CCO4)C3)C[C@H](C1)C2 ZINC001257895700 807244853 /nfs/dbraw/zinc/24/48/53/807244853.db2.gz YNJOQHNIUDEBIY-WFVVYAPDSA-N 1 1 261.409 3.376 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCC[C@H](C(C)=O)C3)C[C@H](C1)C2 ZINC001257895148 807245502 /nfs/dbraw/zinc/24/55/02/807245502.db2.gz ISDSQCAZUUUJDT-TVXGVJEUSA-N 1 1 261.409 3.422 20 30 CGEDMO Cn1ccc2cc[nH+]c(N[C@H]3CC[C@H](C#N)CC3)c21 ZINC001167843643 807260931 /nfs/dbraw/zinc/26/09/31/807260931.db2.gz AKLACXFYHKMLQB-AULYBMBSSA-N 1 1 254.337 3.068 20 30 CGEDMO CCCCCCC[C@H](C)NC(=[NH2+])NCCN(CC)CC ZINC001258043053 807274148 /nfs/dbraw/zinc/27/41/48/807274148.db2.gz IEXQWAUAFVIMJC-HNNXBMFYSA-N 1 1 284.492 3.191 20 30 CGEDMO C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)CCC=C(C)C)C1 ZINC001258098693 807309161 /nfs/dbraw/zinc/30/91/61/807309161.db2.gz ZRZXDIXLLTUDNY-JKSUJKDBSA-N 1 1 294.439 3.498 20 30 CGEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](C1CCC(C)CC1)C2 ZINC001168216955 807352517 /nfs/dbraw/zinc/35/25/17/807352517.db2.gz GEVBTENWHKDPOD-FOIPXRHGSA-N 1 1 293.451 3.391 20 30 CGEDMO CCCCCCCCC[C@H](C)[N@H+]1CCNC(=O)CC1 ZINC001258229288 807377138 /nfs/dbraw/zinc/37/71/38/807377138.db2.gz PPRUEXWCLKZVTJ-HNNXBMFYSA-N 1 1 268.445 3.338 20 30 CGEDMO CCCCCCCCC[C@@H](C)[N@H+]1CCCNC(=O)C1 ZINC001258229992 807378950 /nfs/dbraw/zinc/37/89/50/807378950.db2.gz WWNGREJSQYLNAC-OAHLLOKOSA-N 1 1 268.445 3.338 20 30 CGEDMO COc1ccc(CC[C@H](C)[N@H+]2CCC[C@H](C#N)C2)cc1 ZINC001258408710 807443533 /nfs/dbraw/zinc/44/35/33/807443533.db2.gz LSHBMCWXCAXVBE-GOEBONIOSA-N 1 1 272.392 3.252 20 30 CGEDMO C=C[C@@H]1C[C@@]1([NH2+][C@@H](CC)CCCCC)C(=O)OCC ZINC001258438110 807450165 /nfs/dbraw/zinc/45/01/65/807450165.db2.gz LXBCZUIWAYEGPI-YCPHGPKFSA-N 1 1 267.413 3.443 20 30 CGEDMO C=CC[N@@H+](CCCC(=O)OC(C)(C)C)CCc1ccco1 ZINC001168578607 807451084 /nfs/dbraw/zinc/45/10/84/807451084.db2.gz CKBQWOIILUDDJP-UHFFFAOYSA-N 1 1 293.407 3.432 20 30 CGEDMO C=CCN1C(=O)CC[C@@]12CCC[N@H+]([C@@H](C)CC1CC1)CC2 ZINC001258465744 807467362 /nfs/dbraw/zinc/46/73/62/807467362.db2.gz NKJUMDOTCSLIKG-MAUKXSAKSA-N 1 1 290.451 3.208 20 30 CGEDMO CCC[N@@H+](CCC#N)C1CCC2(CC1)OCC(C)(C)CO2 ZINC001258525938 807484672 /nfs/dbraw/zinc/48/46/72/807484672.db2.gz OMZLCMUAIBIMNO-UHFFFAOYSA-N 1 1 294.439 3.324 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@H]1Cc2cccc(Cl)c2C1 ZINC001168733946 807498007 /nfs/dbraw/zinc/49/80/07/807498007.db2.gz DNDQOJWPBIYQAL-ZDUSSCGKSA-N 1 1 262.784 3.433 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+]([C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168742865 807502987 /nfs/dbraw/zinc/50/29/87/807502987.db2.gz ICOUUKQQFNSHEH-DOMZBBRYSA-N 1 1 260.768 3.043 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+]([C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168742865 807502992 /nfs/dbraw/zinc/50/29/92/807502992.db2.gz ICOUUKQQFNSHEH-DOMZBBRYSA-N 1 1 260.768 3.043 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+]([C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168742866 807503121 /nfs/dbraw/zinc/50/31/21/807503121.db2.gz ICOUUKQQFNSHEH-IUODEOHRSA-N 1 1 260.768 3.043 20 30 CGEDMO C[C@]1(C#N)CC[N@H+]([C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168742866 807503122 /nfs/dbraw/zinc/50/31/22/807503122.db2.gz ICOUUKQQFNSHEH-IUODEOHRSA-N 1 1 260.768 3.043 20 30 CGEDMO CCC[N@H+](CCC#N)[C@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168864155 807533174 /nfs/dbraw/zinc/53/31/74/807533174.db2.gz MLIVIBVANOQNEQ-KBPBESRZSA-N 1 1 295.427 3.010 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168864155 807533178 /nfs/dbraw/zinc/53/31/78/807533178.db2.gz MLIVIBVANOQNEQ-KBPBESRZSA-N 1 1 295.427 3.010 20 30 CGEDMO C=CCC[C@@H](C)[NH2+][C@@H](CC(C)(C)F)C(=O)OCC ZINC001258721742 807569855 /nfs/dbraw/zinc/56/98/55/807569855.db2.gz DTLLHLNSIKXUBM-NEPJUHHUSA-N 1 1 259.365 3.001 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001258725137 807573500 /nfs/dbraw/zinc/57/35/00/807573500.db2.gz IFRXDZCDAGRXGE-KBPBESRZSA-N 1 1 282.428 3.282 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CCc2cc(C(=O)OC)ccc2C1 ZINC001258725162 807573840 /nfs/dbraw/zinc/57/38/40/807573840.db2.gz IROQCCZBXHDYLL-ZDUSSCGKSA-N 1 1 273.376 3.186 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC2CC1(CNC(=O)OC(C)(C)C)C2 ZINC001258726708 807574604 /nfs/dbraw/zinc/57/46/04/807574604.db2.gz WBUSJAYAYFGSJL-CBCUQQMYSA-N 1 1 294.439 3.330 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 ZINC001258727696 807574617 /nfs/dbraw/zinc/57/46/17/807574617.db2.gz ILCCMVPVXHLKIZ-QLFBSQMISA-N 1 1 294.439 3.282 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@]2(CCCCN2C(C)=O)C1 ZINC001258731472 807577676 /nfs/dbraw/zinc/57/76/76/807577676.db2.gz YFXZOSOULZDKEZ-DOTOQJQBSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCc2c(cccc2C(=O)OC)C1 ZINC001258733583 807578892 /nfs/dbraw/zinc/57/88/92/807578892.db2.gz JCUPNDYSWKNJTK-ZDUSSCGKSA-N 1 1 273.376 3.186 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC001258733228 807579272 /nfs/dbraw/zinc/57/92/72/807579272.db2.gz WOGLVWWVBIJLKZ-RDJZCZTQSA-N 1 1 259.393 3.285 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](Oc2ncccc2OC)C1 ZINC001258733706 807579705 /nfs/dbraw/zinc/57/97/05/807579705.db2.gz LZSSLULMCNKXSB-LSDHHAIUSA-N 1 1 290.407 3.288 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC001169233766 807611197 /nfs/dbraw/zinc/61/11/97/807611197.db2.gz PIIVYGVAVSOCAP-UHFFFAOYSA-N 1 1 285.309 3.471 20 30 CGEDMO C=CCOC(=O)[C@@H]([NH2+][C@@H]1CCC[C@H](C)C1)[C@@H](C)CC ZINC001258809390 807628368 /nfs/dbraw/zinc/62/83/68/807628368.db2.gz YCSDKBQWQWMDSD-XQLPTFJDSA-N 1 1 267.413 3.299 20 30 CGEDMO C#C[C@](C)(CC)Nc1ccc([C@@H]2CCCC[N@H+]2C)cn1 ZINC001169697969 807690287 /nfs/dbraw/zinc/69/02/87/807690287.db2.gz PHDNGASYAIVMAD-DOTOQJQBSA-N 1 1 271.408 3.452 20 30 CGEDMO C#C[C@@](C)(CC)Nc1ccc([C@H]2CCCC[N@H+]2C)cn1 ZINC001169697972 807690691 /nfs/dbraw/zinc/69/06/91/807690691.db2.gz PHDNGASYAIVMAD-WBVHZDCISA-N 1 1 271.408 3.452 20 30 CGEDMO C#C[C@@](C)(CC)Nc1c[nH+]c2c(Br)cccn12 ZINC001169701786 807693148 /nfs/dbraw/zinc/69/31/48/807693148.db2.gz TYWHMVSTWVIUJD-ZDUSSCGKSA-N 1 1 292.180 3.311 20 30 CGEDMO C#CC[N@@H+](C)CCCCCCCNC(=O)OC(C)(C)C ZINC001169964155 807730077 /nfs/dbraw/zinc/73/00/77/807730077.db2.gz XEHQHWLHIBSOEA-UHFFFAOYSA-N 1 1 282.428 3.027 20 30 CGEDMO C=CC[C@@](C)([NH2+][C@H](C)CCCC(C)C)C(=O)OC ZINC001170072884 807747730 /nfs/dbraw/zinc/74/77/30/807747730.db2.gz DNXJQRWYHNBUSB-UKRRQHHQSA-N 1 1 255.402 3.299 20 30 CGEDMO C#CC[N@H+](Cc1cc2c(ccnc2Cl)o1)CC1CC1 ZINC001262008031 807804182 /nfs/dbraw/zinc/80/41/82/807804182.db2.gz ZKMFVXPMPJHLJD-UHFFFAOYSA-N 1 1 274.751 3.326 20 30 CGEDMO C[C@H]1C[N@H+](C2CCC(C#N)(c3ccccc3)CC2)CC[C@H]1O ZINC001170379010 807832796 /nfs/dbraw/zinc/83/27/96/807832796.db2.gz ORAIFKUEIUCLKO-WEOZKBJRSA-N 1 1 298.430 3.093 20 30 CGEDMO N#CC1(c2ccccc2)CCC([N@@H+]2CCCC[C@H]2CO)CC1 ZINC001170377281 807832924 /nfs/dbraw/zinc/83/29/24/807832924.db2.gz YNXCIJSQDUMHDA-XBMUEBEBSA-N 1 1 298.430 3.237 20 30 CGEDMO C[C@H]1CC(=O)CC[N@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170378599 807833143 /nfs/dbraw/zinc/83/31/43/807833143.db2.gz GNIJLZCJDJNTQC-DMKPSLHHSA-N 1 1 296.414 3.444 20 30 CGEDMO Cn1c(Cl)cnc1C[N@H+](C)CCCCC1(C#N)CCC1 ZINC001262241142 807840506 /nfs/dbraw/zinc/84/05/06/807840506.db2.gz RRVUBBGBMJUZMH-UHFFFAOYSA-N 1 1 294.830 3.369 20 30 CGEDMO Cn1c(Cl)cnc1C[N@@H+](C)CCCCC1(C#N)CCC1 ZINC001262241142 807840513 /nfs/dbraw/zinc/84/05/13/807840513.db2.gz RRVUBBGBMJUZMH-UHFFFAOYSA-N 1 1 294.830 3.369 20 30 CGEDMO CCCCCCCCC[N@@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC001170613965 807867092 /nfs/dbraw/zinc/86/70/92/807867092.db2.gz DREMUGFIFZSOKY-OAHLLOKOSA-N 1 1 268.445 3.290 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+]([C@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170701616 807877822 /nfs/dbraw/zinc/87/78/22/807877822.db2.gz QWXACDJGJMXXAB-WFASDCNBSA-N 1 1 290.357 3.448 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170702882 807878468 /nfs/dbraw/zinc/87/84/68/807878468.db2.gz UYEBHZZUURSYDD-AWEZNQCLSA-N 1 1 278.346 3.448 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170706665 807879299 /nfs/dbraw/zinc/87/92/99/807879299.db2.gz JLWGZMLQSBNMQV-WFASDCNBSA-N 1 1 275.342 3.167 20 30 CGEDMO N#C[C@@H]1CC[N@@H+]([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170935959 807938710 /nfs/dbraw/zinc/93/87/10/807938710.db2.gz WEJSOOFDIHPGFR-AAEUAGOBSA-N 1 1 260.768 3.043 20 30 CGEDMO N#C[C@@H]1CC[N@H+]([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170935959 807938713 /nfs/dbraw/zinc/93/87/13/807938713.db2.gz WEJSOOFDIHPGFR-AAEUAGOBSA-N 1 1 260.768 3.043 20 30 CGEDMO CC[N@@H+](CCC#N)[C@H]1CCc2c(Cl)cccc2C1 ZINC001171047886 807972437 /nfs/dbraw/zinc/97/24/37/807972437.db2.gz BGPIHPKALJOSGS-ZDUSSCGKSA-N 1 1 262.784 3.433 20 30 CGEDMO Cc1cncc(NC(=[NH2+])c2ccc3cc(O)ccc3c2)c1 ZINC001171183787 808002018 /nfs/dbraw/zinc/00/20/18/808002018.db2.gz ASSPNKIIQHDQJX-UHFFFAOYSA-N 1 1 277.327 3.286 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)N1CCC([NH3+])(CC2CC2)CC1 ZINC001171195367 808007001 /nfs/dbraw/zinc/00/70/01/808007001.db2.gz RZANYXCHROXTNS-HNNXBMFYSA-N 1 1 297.446 3.083 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001171210771 808011297 /nfs/dbraw/zinc/01/12/97/808011297.db2.gz WJCIFLITUWDBFK-VBNZEHGJSA-N 1 1 290.357 3.466 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC2(CCC2)C1 ZINC001171224463 808011891 /nfs/dbraw/zinc/01/18/91/808011891.db2.gz SBZSWJMXEXIFFZ-AWEZNQCLSA-N 1 1 254.377 3.365 20 30 CGEDMO COCC[C@@H]1CCCC[N@H+]1[C@@H](C)Cc1cccc(C#N)c1 ZINC001171221868 808012302 /nfs/dbraw/zinc/01/23/02/808012302.db2.gz WICHEUZPZJCUJR-YJBOKZPZSA-N 1 1 286.419 3.380 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001171228045 808014437 /nfs/dbraw/zinc/01/44/37/808014437.db2.gz DMLJAIWNZPSERG-OAHLLOKOSA-N 1 1 289.382 3.493 20 30 CGEDMO C=C/C(C)=C\CC(=O)N1CCCC[C@H]1C[N@H+](C)CC(=C)C ZINC001264184518 808046240 /nfs/dbraw/zinc/04/62/40/808046240.db2.gz VKYIJDYGFCQPEE-RNIVLKNTSA-N 1 1 290.451 3.398 20 30 CGEDMO CCc1ccc(NCCOc2ccc(C#N)cc2)[nH+]c1 ZINC001171484806 808073867 /nfs/dbraw/zinc/07/38/67/808073867.db2.gz YOLYCMLQIXIBQO-UHFFFAOYSA-N 1 1 267.332 3.007 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](CCOc2ccccc2OCC)C1 ZINC001171491658 808075153 /nfs/dbraw/zinc/07/51/53/808075153.db2.gz XBPYVKOEFPLYLB-INIZCTEOSA-N 1 1 287.403 3.199 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1ccsc1 ZINC001264737905 808090745 /nfs/dbraw/zinc/09/07/45/808090745.db2.gz NLRFCFFVILUJAS-HNNXBMFYSA-N 1 1 292.448 3.251 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C(C)C)CC(C)(C)C1 ZINC001264752363 808091349 /nfs/dbraw/zinc/09/13/49/808091349.db2.gz ZICBFMKCDMDDLV-OAHLLOKOSA-N 1 1 294.483 3.461 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](NC(=O)C#CC(C)(C)C)CC(C)(C)C1 ZINC001264752331 808091782 /nfs/dbraw/zinc/09/17/82/808091782.db2.gz YUUGDULGRMKVSX-OAHLLOKOSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CC[N@H+](C)CCCNC(=O)c1ccccc1CC(C)C ZINC001265075070 808107555 /nfs/dbraw/zinc/10/75/55/808107555.db2.gz QTVXYLCEFCKICI-UHFFFAOYSA-N 1 1 288.435 3.123 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001265124526 808110543 /nfs/dbraw/zinc/11/05/43/808110543.db2.gz HYCGOYFDZHMRNQ-OSYLJGHBSA-N 1 1 292.467 3.217 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](CC)CCCC)C1 ZINC001265221313 808120439 /nfs/dbraw/zinc/12/04/39/808120439.db2.gz XRQLHSVYLBFIMZ-IAGOWNOFSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C)CCC)C1 ZINC001265386840 808138675 /nfs/dbraw/zinc/13/86/75/808138675.db2.gz NTYYYLDMFTYLNX-HOTGVXAUSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](C(=O)OC(C)(C)C)C2CC2)C1 ZINC001171847815 808149603 /nfs/dbraw/zinc/14/96/03/808149603.db2.gz UCWYLAFUISFMOY-UKRRQHHQSA-N 1 1 279.424 3.395 20 30 CGEDMO CC(C)(C)OC(=O)C1CCC([N@H+]2CCC[C@H](C#N)C2)CC1 ZINC001171928583 808155342 /nfs/dbraw/zinc/15/53/42/808155342.db2.gz MMYQJODZKOMWEO-WLYUNCDWSA-N 1 1 292.423 3.122 20 30 CGEDMO CC1(C)C[C@@H](NC2(C#N)CCC2)CC[N@H+]1Cc1ccccc1 ZINC001171962070 808160377 /nfs/dbraw/zinc/16/03/77/808160377.db2.gz BWSXJMVMBMLISR-KRWDZBQOSA-N 1 1 297.446 3.465 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H]2CCCC[N@@H+]2C[C@H](F)CC)C1 ZINC001265654238 808164185 /nfs/dbraw/zinc/16/41/85/808164185.db2.gz QDZHOEXDQDAFCM-CABCVRRESA-N 1 1 296.430 3.062 20 30 CGEDMO C[C@H](C#N)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171986558 808164987 /nfs/dbraw/zinc/16/49/87/808164987.db2.gz ITJJEIDKVFAABA-WBVHZDCISA-N 1 1 285.435 3.273 20 30 CGEDMO C=CCCCC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H](F)CC ZINC001265652176 808165023 /nfs/dbraw/zinc/16/50/23/808165023.db2.gz SFQXPMCYMZXNQX-GJZGRUSLSA-N 1 1 284.419 3.062 20 30 CGEDMO C#C[C@@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171983793 808165429 /nfs/dbraw/zinc/16/54/29/808165429.db2.gz QBSRSAKZLBHFCM-NVXWUHKLSA-N 1 1 270.420 3.041 20 30 CGEDMO C#C[C@@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171983793 808165435 /nfs/dbraw/zinc/16/54/35/808165435.db2.gz QBSRSAKZLBHFCM-NVXWUHKLSA-N 1 1 270.420 3.041 20 30 CGEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](CC)CCCCC ZINC001265658198 808166286 /nfs/dbraw/zinc/16/62/86/808166286.db2.gz TYIBNYFGCLWVQW-SJORKVTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)[C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172019067 808166460 /nfs/dbraw/zinc/16/64/60/808166460.db2.gz DRYJOPZHOZWVMP-GOSISDBHSA-N 1 1 298.430 3.218 20 30 CGEDMO C=CCCC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](CCC(C)C)C1 ZINC001265699928 808171053 /nfs/dbraw/zinc/17/10/53/808171053.db2.gz KGYKIPUFVJASIG-JKSUJKDBSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2(CC)CCC2)C1 ZINC001265704830 808171653 /nfs/dbraw/zinc/17/16/53/808171653.db2.gz ALQTVXGAGDWSBF-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CC(CC)CC)C1 ZINC001265708467 808171960 /nfs/dbraw/zinc/17/19/60/808171960.db2.gz OHWXKNVSJRYCTA-WBVHZDCISA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001265705770 808172743 /nfs/dbraw/zinc/17/27/43/808172743.db2.gz MRJQASRURLGMNQ-ZBFHGGJFSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)CCCNC(=O)[C@@]1(C)CC=CCC1 ZINC001266045995 808205219 /nfs/dbraw/zinc/20/52/19/808205219.db2.gz UDYZCZXYUAHRMF-INIZCTEOSA-N 1 1 298.858 3.314 20 30 CGEDMO C=CCC[N@@H+](CC)CCCNC(=O)c1ccc(F)c(C)c1 ZINC001266077495 808208193 /nfs/dbraw/zinc/20/81/93/808208193.db2.gz LAAXSGPYFIJPJV-UHFFFAOYSA-N 1 1 292.398 3.152 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccco2)C1 ZINC001266090388 808209312 /nfs/dbraw/zinc/20/93/12/808209312.db2.gz JQBMUQFUDBIBEQ-HUUCEWRRSA-N 1 1 290.407 3.171 20 30 CGEDMO CCCCCCC[NH2+]C1CCN(CCCOC)CC1 ZINC001172247591 808209380 /nfs/dbraw/zinc/20/93/80/808209380.db2.gz QRKSHRHVZHPAQB-UHFFFAOYSA-N 1 1 270.461 3.047 20 30 CGEDMO C=C(C)C[N@@H+](CCCNC(=O)C(C)=C1CCCC1)C1CC1 ZINC001266131764 808217064 /nfs/dbraw/zinc/21/70/64/808217064.db2.gz TWORZTGXWOYFKH-UHFFFAOYSA-N 1 1 290.451 3.424 20 30 CGEDMO CC(C)CN1CCC([NH2+][C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172297709 808219724 /nfs/dbraw/zinc/21/97/24/808219724.db2.gz RVZCNBBBMAETBP-MRXNPFEDSA-N 1 1 299.462 3.199 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1O ZINC001172311767 808223072 /nfs/dbraw/zinc/22/30/72/808223072.db2.gz XQTZNMJLVMVPIK-AWEZNQCLSA-N 1 1 280.371 3.327 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCc2occc2C1 ZINC001172311808 808224227 /nfs/dbraw/zinc/22/42/27/808224227.db2.gz YQQMXJXIGWPCSL-ZDUSSCGKSA-N 1 1 266.344 3.141 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001266200482 808227232 /nfs/dbraw/zinc/22/72/32/808227232.db2.gz MXCOVDPATIHQLN-GFCCVEGCSA-N 1 1 296.798 3.093 20 30 CGEDMO C#CCCCCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)CCC=C)C1 ZINC001266215822 808229070 /nfs/dbraw/zinc/22/90/70/808229070.db2.gz NPKGRTPQJDLAGX-IAGOWNOFSA-N 1 1 290.451 3.115 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)CCCCC(C)(C)C)C1 ZINC001266222081 808229459 /nfs/dbraw/zinc/22/94/59/808229459.db2.gz NHJFGPDVAPHNFL-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO COC(C)(C)[C@@H]1CCC[N@H+]1[C@H](C)Cc1ccc(C#N)cc1 ZINC001172321105 808230360 /nfs/dbraw/zinc/23/03/60/808230360.db2.gz YYEVNLTUGUTFGZ-PBHICJAKSA-N 1 1 286.419 3.379 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)CC[C@H](C)CC ZINC001266238358 808231517 /nfs/dbraw/zinc/23/15/17/808231517.db2.gz QWWUOHDIXXGWPN-SJORKVTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CC)CCNC(=O)c1cccs1 ZINC001266372105 808251433 /nfs/dbraw/zinc/25/14/33/808251433.db2.gz QNFVEIKETCSSQX-CYBMUJFWSA-N 1 1 280.437 3.155 20 30 CGEDMO C=CC[N@@H+](CC)CCNC(=O)c1ccc(CC)c(CC)c1 ZINC001266443410 808265546 /nfs/dbraw/zinc/26/55/46/808265546.db2.gz NXBGLXAJHDJOIS-UHFFFAOYSA-N 1 1 288.435 3.049 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C(C)=C1CCC1 ZINC001266461044 808269117 /nfs/dbraw/zinc/26/91/17/808269117.db2.gz IIODOWKKSBNOGD-WMLDXEAASA-N 1 1 290.451 3.422 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)C(CC)CC)C1 ZINC001266754394 808311790 /nfs/dbraw/zinc/31/17/90/808311790.db2.gz BXEPSXFGFADKGQ-CABCVRRESA-N 1 1 280.456 3.073 20 30 CGEDMO CC(C)OCC[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001172452424 808323921 /nfs/dbraw/zinc/32/39/21/808323921.db2.gz ZRYHXUHTXXZQNL-AWEZNQCLSA-N 1 1 260.381 3.194 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC1(C)CC1 ZINC001266850075 808324021 /nfs/dbraw/zinc/32/40/21/808324021.db2.gz TWZKAFGNLWWIEG-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)C1(CF)CCC1 ZINC001266856419 808325359 /nfs/dbraw/zinc/32/53/59/808325359.db2.gz QOYFVPSJDDQMNA-OAHLLOKOSA-N 1 1 296.430 3.063 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCCC[C@H]1[C@@H]1CCC[N@@H+]1CC ZINC001266894550 808331191 /nfs/dbraw/zinc/33/11/91/808331191.db2.gz ZVMQBTSULYCYEK-HOTGVXAUSA-N 1 1 292.467 3.454 20 30 CGEDMO C[C@@H](CCCC#N)[N@@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001172497375 808353633 /nfs/dbraw/zinc/35/36/33/808353633.db2.gz BJJJRMRHNGYKRG-YESZJQIVSA-N 1 1 277.456 3.408 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001172497375 808353643 /nfs/dbraw/zinc/35/36/43/808353643.db2.gz BJJJRMRHNGYKRG-YESZJQIVSA-N 1 1 277.456 3.408 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCc2nn(-c3ccccc3)cc2C1 ZINC001172498506 808355253 /nfs/dbraw/zinc/35/52/53/808355253.db2.gz NRKCNBWFKKAKMJ-HNNXBMFYSA-N 1 1 294.402 3.313 20 30 CGEDMO CCCCCCCC[C@H](CC)[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC001172504081 808360006 /nfs/dbraw/zinc/36/00/06/808360006.db2.gz CTRHGQVMWOVUBZ-IXDOHACOSA-N 1 1 285.472 3.191 20 30 CGEDMO CCCCCCCC[C@H](CC)[N@H+]1CCCNC(=O)C1 ZINC001172504520 808360369 /nfs/dbraw/zinc/36/03/69/808360369.db2.gz FTYMNJVPMWSUFC-HNNXBMFYSA-N 1 1 268.445 3.338 20 30 CGEDMO CCCCCCC[C@@H](CCC)[NH2+][C@](N)(CC)CO ZINC001172508385 808363581 /nfs/dbraw/zinc/36/35/81/808363581.db2.gz JTZCFBFLMFDDPO-HUUCEWRRSA-N 1 1 258.450 3.163 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCCN(Cc2ccccc2)CC1 ZINC001172507402 808365186 /nfs/dbraw/zinc/36/51/86/808365186.db2.gz STFSHTBEDPMSST-KRWDZBQOSA-N 1 1 285.435 3.277 20 30 CGEDMO C[C@@H](CCCC#N)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001172507402 808365191 /nfs/dbraw/zinc/36/51/91/808365191.db2.gz STFSHTBEDPMSST-KRWDZBQOSA-N 1 1 285.435 3.277 20 30 CGEDMO C[C@@H](CCCC#N)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001172507402 808365201 /nfs/dbraw/zinc/36/52/01/808365201.db2.gz STFSHTBEDPMSST-KRWDZBQOSA-N 1 1 285.435 3.277 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@@H](Oc2ccncc2)C1 ZINC001172509804 808365503 /nfs/dbraw/zinc/36/55/03/808365503.db2.gz QVHYIEYYQJWITK-GDBMZVCRSA-N 1 1 273.380 3.007 20 30 CGEDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@H](C)CCCC#N ZINC001172508828 808366051 /nfs/dbraw/zinc/36/60/51/808366051.db2.gz HFPOZGKEUMUYNG-CYBMUJFWSA-N 1 1 274.364 3.320 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)/C=C(/C)CC ZINC001267164443 808371470 /nfs/dbraw/zinc/37/14/70/808371470.db2.gz JPPXEFBBZPHIFM-FCFCDCELSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@](C)(C=C)CC ZINC001267175638 808372589 /nfs/dbraw/zinc/37/25/89/808372589.db2.gz XJFQEYCDOSAMPV-DOTOQJQBSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)C2(CCCC)CC2)C1 ZINC001267302203 808408764 /nfs/dbraw/zinc/40/87/64/808408764.db2.gz MZXAQLHYVYEFCR-CQSZACIVSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)C2(CCCC)CC2)C1 ZINC001267302203 808408766 /nfs/dbraw/zinc/40/87/66/808408766.db2.gz MZXAQLHYVYEFCR-CQSZACIVSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](CNC(=O)C[C@H](C)CC(C)C)C1 ZINC001267305426 808408770 /nfs/dbraw/zinc/40/87/70/808408770.db2.gz AFCHYGXSKNALNI-HZPDHXFCSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(Cl)C[N@H+](CCC)CCNC(=O)C1CCC(=C)CC1 ZINC001267316733 808412124 /nfs/dbraw/zinc/41/21/24/808412124.db2.gz ARVFHIGLESEGAK-UHFFFAOYSA-N 1 1 298.858 3.314 20 30 CGEDMO C=C(Cl)C[N@@H+](CCC)CCNC(=O)C1CCC(=C)CC1 ZINC001267316733 808412128 /nfs/dbraw/zinc/41/21/28/808412128.db2.gz ARVFHIGLESEGAK-UHFFFAOYSA-N 1 1 298.858 3.314 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CCC)C(=O)C=C2CCC2)C1 ZINC001267453477 808427996 /nfs/dbraw/zinc/42/79/96/808427996.db2.gz CWRZUUFQNBLDNH-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H](F)C(C)C)C1 ZINC001267473220 808430319 /nfs/dbraw/zinc/43/03/19/808430319.db2.gz BFBJWSBNISGZFS-JKSUJKDBSA-N 1 1 298.446 3.260 20 30 CGEDMO CC#CC[N@@H+](CCCNC(=O)[C@@]1(C)CCC[C@@H]1C)C(C)C ZINC001267507215 808434471 /nfs/dbraw/zinc/43/44/71/808434471.db2.gz HPLSNJFDCTYJOK-WMZOPIPTSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)[C@@H](C)c1cccs1)C(C)C ZINC001267508464 808436745 /nfs/dbraw/zinc/43/67/45/808436745.db2.gz BMJPQBSUNJADCJ-AWEZNQCLSA-N 1 1 294.464 3.254 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](CCNC(=O)c2cscc2C)C1 ZINC001267553752 808445854 /nfs/dbraw/zinc/44/58/54/808445854.db2.gz MGTZASJJLPARGA-CQSZACIVSA-N 1 1 292.448 3.074 20 30 CGEDMO Cc1ccc2c(c1)C[C@H]([N@H+]1CC[C@](C)(C#N)C1)CC2 ZINC001172837996 808453812 /nfs/dbraw/zinc/45/38/12/808453812.db2.gz KGZYCCHZFPCWPQ-IAGOWNOFSA-N 1 1 254.377 3.088 20 30 CGEDMO C=CCCC(=O)N1CCC(C[N@H+](C)CC/C=C\CC)CC1 ZINC001267597771 808454933 /nfs/dbraw/zinc/45/49/33/808454933.db2.gz IDCGTOCYMPBUMM-VURMDHGXSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@H]1CCN(C(=O)/C(C)=C\C)C1 ZINC001267638101 808462251 /nfs/dbraw/zinc/46/22/51/808462251.db2.gz JFTHDEZCIKJWLG-LTFKWQPMSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CCC[N@H+](CCCF)C2)CCCC1 ZINC001267636404 808462930 /nfs/dbraw/zinc/46/29/30/808462930.db2.gz ZMXDGTDEHIOWII-HNNXBMFYSA-N 1 1 296.430 3.063 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)CCC)C1 ZINC001267637143 808462988 /nfs/dbraw/zinc/46/29/88/808462988.db2.gz BUIFRDZNKRVOMF-HZPDHXFCSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC(=O)NC1C[NH+](Cc2ccccc2C(C)C)C1 ZINC001267643770 808463734 /nfs/dbraw/zinc/46/37/34/808463734.db2.gz YKDHGSSWBCVKLP-UHFFFAOYSA-N 1 1 286.419 3.077 20 30 CGEDMO C=CCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCCCC1 ZINC001267704134 808473596 /nfs/dbraw/zinc/47/35/96/808473596.db2.gz GWDXXXFRZCKQEF-IRXDYDNUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC(C)(C)C ZINC001267711990 808474800 /nfs/dbraw/zinc/47/48/00/808474800.db2.gz JXADFFAAZRLEFU-PMPSAXMXSA-N 1 1 292.467 3.310 20 30 CGEDMO CO[C@H]1CCC[C@@H]([N@@H+](CCC#N)C2CCCC2)C1 ZINC001172942952 808491916 /nfs/dbraw/zinc/49/19/16/808491916.db2.gz RNDWKNBCOUOMQC-CABCVRRESA-N 1 1 250.386 3.102 20 30 CGEDMO C=CCCCC(=O)N(CC)[C@@H]1CC[N@H+](C[C@@H](C)CC)C1 ZINC001267788686 808492647 /nfs/dbraw/zinc/49/26/47/808492647.db2.gz CGXDWHNNGQUBQL-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)C/C=C(\C)C=C)C1 ZINC001267791768 808494353 /nfs/dbraw/zinc/49/43/53/808494353.db2.gz QPSIHXKVEWRUSI-HTRKUNOGSA-N 1 1 276.424 3.008 20 30 CGEDMO CCCOC1CCC([N@H+]2CCC[C@@H](C#N)CC2)CC1 ZINC001173100473 808509705 /nfs/dbraw/zinc/50/97/05/808509705.db2.gz LGDSPGSYEJGTOI-QQFBHYJXSA-N 1 1 264.413 3.350 20 30 CGEDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C#N)CC1 ZINC001173232380 808542412 /nfs/dbraw/zinc/54/24/12/808542412.db2.gz FTRYXTLITZPEFN-UKRRQHHQSA-N 1 1 287.363 3.151 20 30 CGEDMO CCc1ccc(C[C@H](C)[N@H+]2CCC[C@@H](C#N)C2)cc1 ZINC001173242962 808551119 /nfs/dbraw/zinc/55/11/19/808551119.db2.gz JNSVZIQLXVRMSX-YOEHRIQHSA-N 1 1 256.393 3.416 20 30 CGEDMO C=C[C@@H](C(=O)N[C@H]1CCC[N@H+](CC(=C)C)C1)c1ccccc1 ZINC001268236688 808565854 /nfs/dbraw/zinc/56/58/54/808565854.db2.gz MUKUJVDUUCHBKN-ZWKOTPCHSA-N 1 1 298.430 3.113 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C=C(CC)CC)CC[C@@H]21 ZINC001268261419 808571023 /nfs/dbraw/zinc/57/10/23/808571023.db2.gz DDZANIQVKHKUIG-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C[C@@H](CC(=O)N(C)CC[N@H+](C)C(C)C)c1ccccc1 ZINC001268259637 808571931 /nfs/dbraw/zinc/57/19/31/808571931.db2.gz NURYNQPWVIYADI-INIZCTEOSA-N 1 1 288.435 3.145 20 30 CGEDMO CCCCCCCC[C@H](CCC)[N@H+]1C[C@@H](O)[C@H](CO)C1 ZINC001173309232 808604838 /nfs/dbraw/zinc/60/48/38/808604838.db2.gz GKONLYQCLDRROZ-YESZJQIVSA-N 1 1 285.472 3.191 20 30 CGEDMO C=CCOC1CCC([N@H+]2CCc3ncc(C)cc3C2)CC1 ZINC001173322522 808610991 /nfs/dbraw/zinc/61/09/91/808610991.db2.gz FTCWRNRFFHYNTC-UHFFFAOYSA-N 1 1 286.419 3.262 20 30 CGEDMO C=CCOC1CCC([N@H+]2CC[C@H]3CCCO[C@H]3C2)CC1 ZINC001173321627 808611021 /nfs/dbraw/zinc/61/10/21/808611021.db2.gz NMJCOJGHFZSUER-VXLLPVPCSA-N 1 1 279.424 3.001 20 30 CGEDMO C=CCCCC(=O)N[C@H](C)C[N@@H+](C)Cc1ccsc1 ZINC001268741937 808620463 /nfs/dbraw/zinc/62/04/63/808620463.db2.gz AZCNYWBJSGWMHK-CYBMUJFWSA-N 1 1 280.437 3.041 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)C1CC(C(C)(C)C)C1 ZINC001268760059 808625186 /nfs/dbraw/zinc/62/51/86/808625186.db2.gz QVEDEIAUUFKESL-NFOMZHRRSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)C/C=C(/C)C=C)C1 ZINC001269056568 808644055 /nfs/dbraw/zinc/64/40/55/808644055.db2.gz GXOLAFNIJMFQPU-RPZAIAHZSA-N 1 1 276.424 3.054 20 30 CGEDMO CC1(C#N)CCC(N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC001173592465 808648350 /nfs/dbraw/zinc/64/83/50/808648350.db2.gz PMHVCHVWMIIYBV-UHFFFAOYSA-N 1 1 289.467 3.409 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CC[C@@](C)(F)[C@@H](F)C2)CC1 ZINC001173594034 808650227 /nfs/dbraw/zinc/65/02/27/808650227.db2.gz POGLTDQDSFQHTA-GNRIBBGQSA-N 1 1 256.340 3.231 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CCC[C@H](Oc3cccnc3)C2)CC1 ZINC001173596300 808650343 /nfs/dbraw/zinc/65/03/43/808650343.db2.gz QXEBJHKYGKPMOO-NXYGQSRBSA-N 1 1 299.418 3.397 20 30 CGEDMO Cc1nc2c(s1)C[N@H+](C1CCC(C)(C#N)CC1)CC2 ZINC001173597699 808650763 /nfs/dbraw/zinc/65/07/63/808650763.db2.gz DZPCXXJAPCCFKZ-UHFFFAOYSA-N 1 1 275.421 3.282 20 30 CGEDMO CC1(C#N)CCC([N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC1 ZINC001173600051 808651150 /nfs/dbraw/zinc/65/11/50/808651150.db2.gz VNFKRPFKDTVJES-CCVYVMJOSA-N 1 1 257.381 3.225 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CC[C@H](Oc3ccncc3)C2)CC1 ZINC001173597733 808651306 /nfs/dbraw/zinc/65/13/06/808651306.db2.gz HEMXYTXOGCNVLP-WIHSUSGWSA-N 1 1 285.391 3.007 20 30 CGEDMO COC(=O)c1ccc2c(c1)C[N@@H+](C1CCC(C)(C#N)CC1)C2 ZINC001173601697 808652700 /nfs/dbraw/zinc/65/27/00/808652700.db2.gz ZTSOPRZRZNODDF-UHFFFAOYSA-N 1 1 298.386 3.261 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C)oc2C)C1 ZINC001269209003 808656646 /nfs/dbraw/zinc/65/66/46/808656646.db2.gz RWFCQLVNWYWFMG-OAHLLOKOSA-N 1 1 290.407 3.009 20 30 CGEDMO CCOC(=O)C[C@H]1CC[C@@H]([N@@H+](CCC#N)C2CCCC2)C1 ZINC001173644992 808658443 /nfs/dbraw/zinc/65/84/43/808658443.db2.gz RCTGXSPVYLXDCJ-GOEBONIOSA-N 1 1 292.423 3.267 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H]1CC[C@@H](CC(=O)OCC)C1 ZINC001173659111 808660779 /nfs/dbraw/zinc/66/07/79/808660779.db2.gz TZYIITUTUVFSMI-KGLIPLIRSA-N 1 1 253.386 3.006 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)CC(C)=C(C)C)C1 ZINC001269264398 808661580 /nfs/dbraw/zinc/66/15/80/808661580.db2.gz XKZPKIOCXONYDH-INIZCTEOSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CC[N@H+]1CCCC1CCC1 ZINC001269284830 808663427 /nfs/dbraw/zinc/66/34/27/808663427.db2.gz GAXPBJBZIKOOHS-WMZOPIPTSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(CC)CC)C1 ZINC001269297195 808666678 /nfs/dbraw/zinc/66/66/78/808666678.db2.gz VOHMRJUYBJKZDL-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)/C=C\C(C)(C)C)C1 ZINC001269313284 808667195 /nfs/dbraw/zinc/66/71/95/808667195.db2.gz LGJXQRDYTKVMGD-IUCKJTJTSA-N 1 1 298.858 3.264 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)/C=C\C(C)(C)C)C1 ZINC001269313284 808667201 /nfs/dbraw/zinc/66/72/01/808667201.db2.gz LGJXQRDYTKVMGD-IUCKJTJTSA-N 1 1 298.858 3.264 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC)C2 ZINC001269691664 808697347 /nfs/dbraw/zinc/69/73/47/808697347.db2.gz FPOSIPVVTHPGFZ-WMZOPIPTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)CCC(C)C)C2)C1 ZINC001269720595 808701258 /nfs/dbraw/zinc/70/12/58/808701258.db2.gz WFZCTINHTTYYSM-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC(C)(C)CC(=O)N(C)C1C[NH+](CC/C=C/CC)C1 ZINC001269794327 808705272 /nfs/dbraw/zinc/70/52/72/808705272.db2.gz PXDGLFVUKWJCQJ-CMDGGOBGSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@]1(C)CC[N@@H+](CC2CCC2)C1 ZINC001270591446 808737871 /nfs/dbraw/zinc/73/78/71/808737871.db2.gz ZYDGUPDTMGAOJJ-GOSISDBHSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)CCCCCC(C)C)C1 ZINC001270633650 808741221 /nfs/dbraw/zinc/74/12/21/808741221.db2.gz VUMBGYKJQSCUKQ-QGZVFWFLSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCCC(=O)NC[C@]1(C)CCC[N@H+](CC(=C)Cl)C1 ZINC001270982085 808757693 /nfs/dbraw/zinc/75/76/93/808757693.db2.gz FQHZBAJPDZWGJG-INIZCTEOSA-N 1 1 298.858 3.314 20 30 CGEDMO C=CCCCC(=O)NC[C@]1(C)CCC[N@@H+](CC(=C)Cl)C1 ZINC001270982085 808757699 /nfs/dbraw/zinc/75/76/99/808757699.db2.gz FQHZBAJPDZWGJG-INIZCTEOSA-N 1 1 298.858 3.314 20 30 CGEDMO CCCCCCCC[C@@H]1C[C@H]1C(=O)N1CC2(CC[N@@H+]2C)C1 ZINC001271410932 808769948 /nfs/dbraw/zinc/76/99/48/808769948.db2.gz JVIVZMHIHMTOPR-HZPDHXFCSA-N 1 1 292.467 3.290 20 30 CGEDMO CCCCCCCC[C@@H]1C[C@H]1C(=O)N1CC2(CC[N@H+]2C)C1 ZINC001271410932 808769954 /nfs/dbraw/zinc/76/99/54/808769954.db2.gz JVIVZMHIHMTOPR-HZPDHXFCSA-N 1 1 292.467 3.290 20 30 CGEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C=C(CC)CC)C2 ZINC001271729944 808781601 /nfs/dbraw/zinc/78/16/01/808781601.db2.gz ICFDUHHWPBEVTO-BJWYYQGGSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)/C(C)=C\CC ZINC001272003048 808792213 /nfs/dbraw/zinc/79/22/13/808792213.db2.gz BLFFNCGUYIMGDJ-CTOSAQQISA-N 1 1 290.451 3.374 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCCCCC ZINC001272045148 808794385 /nfs/dbraw/zinc/79/43/85/808794385.db2.gz UGKOIGMHBJPLBD-SJORKVTESA-N 1 1 290.451 3.045 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)[C@@H](C)[C@H](C)C(C)(C)C ZINC001272131177 808798749 /nfs/dbraw/zinc/79/87/49/808798749.db2.gz BCSLVFIJOLGVSF-GJZGRUSLSA-N 1 1 282.472 3.271 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@H](C)C1CCCC1 ZINC001272151790 808799020 /nfs/dbraw/zinc/79/90/20/808799020.db2.gz CQNWEGGYQNZORT-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)CN1c2ccccc2[C@]2(CC[N@H+](CCCC)C2)C1=O ZINC001272466876 808810360 /nfs/dbraw/zinc/81/03/60/808810360.db2.gz KZLCWFPAQGURTN-LJQANCHMSA-N 1 1 298.430 3.353 20 30 CGEDMO C=C(C)CN1CC[C@@]2(CCC[N@@H+](CC3CCC3)CC2)C1=O ZINC001272517624 808814706 /nfs/dbraw/zinc/81/47/06/808814706.db2.gz VSTAJTFGPCZHCD-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CN1CC[C@]2(CC[N@H+](CCC/C=C\CC)C2)C1=O ZINC001273116014 808833936 /nfs/dbraw/zinc/83/39/36/808833936.db2.gz GJKSZMYJYBTRJV-XFHJGTJQSA-N 1 1 290.451 3.233 20 30 CGEDMO N#Cc1ccc(Nc2cc[nH+]c3ccccc23)c(F)c1 ZINC001174039158 808836776 /nfs/dbraw/zinc/83/67/76/808836776.db2.gz WYVGKASPKFAUDR-UHFFFAOYSA-N 1 1 263.275 3.411 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)CCCCC)CC1 ZINC001273394131 808841849 /nfs/dbraw/zinc/84/18/49/808841849.db2.gz XOEZCZSQLYDSKD-OAHLLOKOSA-N 1 1 266.429 3.114 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CCCCC(C)(C)C)CC1 ZINC001273417075 808843336 /nfs/dbraw/zinc/84/33/36/808843336.db2.gz DVRJGBIQHIRAKC-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)CCC=C)CC1 ZINC001273408293 808843967 /nfs/dbraw/zinc/84/39/67/808843967.db2.gz BIYDOUHQJJGKHD-IAGOWNOFSA-N 1 1 290.451 3.115 20 30 CGEDMO CC(C)C#CC(=O)N(C)CCC[N@@H+](C)CCCC(C)(C)C ZINC001273508106 808849367 /nfs/dbraw/zinc/84/93/67/808849367.db2.gz USSVGGQRLQIZKJ-UHFFFAOYSA-N 1 1 294.483 3.252 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[C@H]1C ZINC001273554301 808853535 /nfs/dbraw/zinc/85/35/35/808853535.db2.gz RWKXACJFUMUKAO-HZPDHXFCSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCCCCC)C2 ZINC001273848962 808862888 /nfs/dbraw/zinc/86/28/88/808862888.db2.gz NVBQHKMINWWBOZ-GOSISDBHSA-N 1 1 292.467 3.457 20 30 CGEDMO CC#CCCCC(=O)N[C@@H]1CC[N@@H+](CC(C)C)CC1(C)C ZINC001274444032 808875497 /nfs/dbraw/zinc/87/54/97/808875497.db2.gz AGLUKZUAYIPIID-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](C/C=C/Cl)[C@H](C)C1 ZINC001274622046 808880509 /nfs/dbraw/zinc/88/05/09/808880509.db2.gz ADONYEMIFFCPIW-CCRJBVLDSA-N 1 1 284.831 3.064 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC(C[N@@H+](CC)CCF)CC1 ZINC001274955469 808894490 /nfs/dbraw/zinc/89/44/90/808894490.db2.gz MLGZHAPKOJHHIF-OAHLLOKOSA-N 1 1 298.446 3.119 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)CCC(C)C ZINC001275086528 808906861 /nfs/dbraw/zinc/90/68/61/808906861.db2.gz CSYLMYHXGOPBGZ-CQSZACIVSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)CCC(C)C ZINC001275086528 808906867 /nfs/dbraw/zinc/90/68/67/808906867.db2.gz CSYLMYHXGOPBGZ-CQSZACIVSA-N 1 1 286.847 3.098 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)C1CCCC1 ZINC001275113621 808909400 /nfs/dbraw/zinc/90/94/00/808909400.db2.gz BDELDIYBMPWZGU-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO CCCCCCCN1C[C@@H]2C[N@@H+](C3CCCC3)C[C@H](C1)O2 ZINC001275131557 808913612 /nfs/dbraw/zinc/91/36/12/808913612.db2.gz UBYPVLYQGUGOCU-HDICACEKSA-N 1 1 294.483 3.284 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H]2CN(C3CCCC3)C[C@@H](C1)O2 ZINC001275131557 808913619 /nfs/dbraw/zinc/91/36/19/808913619.db2.gz UBYPVLYQGUGOCU-HDICACEKSA-N 1 1 294.483 3.284 20 30 CGEDMO CCCCCCC[N@@H+]1C[C@H]2CN(C3CCCC3)C[C@@H](C1)O2 ZINC001275131557 808913629 /nfs/dbraw/zinc/91/36/29/808913629.db2.gz UBYPVLYQGUGOCU-HDICACEKSA-N 1 1 294.483 3.284 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@@H]([C@H]2CC[N@H+](CC)C2)C1 ZINC001275183403 808920514 /nfs/dbraw/zinc/92/05/14/808920514.db2.gz FNKNLXIPKMIKRI-CVEARBPZSA-N 1 1 292.467 3.169 20 30 CGEDMO CC(C)(C)c1noc(Nc2ccc3[nH+]ccn3c2)c1C#N ZINC001174278993 808926396 /nfs/dbraw/zinc/92/63/96/808926396.db2.gz WXHGDRLPXXZAEN-UHFFFAOYSA-N 1 1 281.319 3.235 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)C1=CCCCCC1 ZINC001275543788 808947855 /nfs/dbraw/zinc/94/78/55/808947855.db2.gz FAOGTKRIYJKSHW-OAHLLOKOSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@H](C)NC(=O)c1[nH]c(C)cc1C ZINC001275592822 808949782 /nfs/dbraw/zinc/94/97/82/808949782.db2.gz SJZNYFRRQDPUDS-GJZGRUSLSA-N 1 1 291.439 3.036 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)c1c(C)[nH]c2ccccc21 ZINC001275599409 808951551 /nfs/dbraw/zinc/95/15/51/808951551.db2.gz GYAALWLGRKWJOY-ZDUSSCGKSA-N 1 1 299.418 3.103 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)c1cc(Cl)ccc1C ZINC001275682933 808957341 /nfs/dbraw/zinc/95/73/41/808957341.db2.gz YXTXPSSTYHJVEZ-CYBMUJFWSA-N 1 1 294.826 3.275 20 30 CGEDMO N#Cc1cccc(N2CC3(C2)CC[N@H+](C2CCCC2)C3)c1 ZINC001276953284 809049198 /nfs/dbraw/zinc/04/91/98/809049198.db2.gz IJRZLRLNRSAGNT-UHFFFAOYSA-N 1 1 281.403 3.013 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CC[C@@]2(CCC[C@H]2C(N)=O)C1 ZINC001277167356 809061790 /nfs/dbraw/zinc/06/17/90/809061790.db2.gz RVSWLNCGTLPRLE-WMZOPIPTSA-N 1 1 292.467 3.491 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)C(C)(C)C2CC2)CC1 ZINC001277422214 809074132 /nfs/dbraw/zinc/07/41/32/809074132.db2.gz BDTLYIFVOZGCLH-UHFFFAOYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@@H](C)CCC)C2)C1 ZINC001277508882 809078676 /nfs/dbraw/zinc/07/86/76/809078676.db2.gz DHQMNRDOKUJHQC-WMZOPIPTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)CCC)C2)C1 ZINC001277510162 809078922 /nfs/dbraw/zinc/07/89/22/809078922.db2.gz USZDWWJPOOGOTL-XJKSGUPXSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)CCC)C2)C1 ZINC001277510162 809078929 /nfs/dbraw/zinc/07/89/29/809078929.db2.gz USZDWWJPOOGOTL-XJKSGUPXSA-N 1 1 298.858 3.100 20 30 CGEDMO C=CCCC[NH+]1CC(N(C)C(=O)c2cscc2Cl)C1 ZINC001277611320 809083582 /nfs/dbraw/zinc/08/35/82/809083582.db2.gz YLEDRQUVKDRVSC-UHFFFAOYSA-N 1 1 298.839 3.124 20 30 CGEDMO CC#CCCCC(=O)N(C)C1C[NH+](CC/C=C/CCC)C1 ZINC001277644120 809086943 /nfs/dbraw/zinc/08/69/43/809086943.db2.gz KELIPWYJCHHCET-CSKARUKUSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CCCCC(=O)N(C)C[C@@H](C)[NH2+]C/C(Cl)=C\Cl ZINC001277923178 809106355 /nfs/dbraw/zinc/10/63/55/809106355.db2.gz WQLGOEMSDOFTAA-OYGDSYQHSA-N 1 1 293.238 3.098 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@]12CCC[C@@H]1[N@@H+](CCC)CC2 ZINC001278449918 809134871 /nfs/dbraw/zinc/13/48/71/809134871.db2.gz AHLLKSGFWFWLIM-WMZOPIPTSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)c1cc(C)cc(F)c1)C(C)C ZINC001278922078 809156285 /nfs/dbraw/zinc/15/62/85/809156285.db2.gz HSRCIJPHSFGBIR-UHFFFAOYSA-N 1 1 292.398 3.103 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)[C@@H]1C[C@H]1C1CCCC1)C(C)C ZINC001278926623 809156994 /nfs/dbraw/zinc/15/69/94/809156994.db2.gz SLSXRJPWJVIVHI-DLBZAZTESA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CN(C(=O)C[C@H](C)CC(C)(C)C)C[C@H]2C1 ZINC001279396362 809171706 /nfs/dbraw/zinc/17/17/06/809171706.db2.gz VEDUUMVSOWATLM-HRCADAONSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@H](CCC)C(C)C)C[C@H]2C1 ZINC001279394994 809172104 /nfs/dbraw/zinc/17/21/04/809172104.db2.gz BFIIHGYOINYWJP-IXDOHACOSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CN(C(=O)CCCC[C@H](C)CC)C[C@H]2C1 ZINC001279370520 809172227 /nfs/dbraw/zinc/17/22/27/809172227.db2.gz FBHZLGIZKRQIQV-ZACQAIPSSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)CCCC ZINC001279539943 809172976 /nfs/dbraw/zinc/17/29/76/809172976.db2.gz DXZQAWNFQRJGKV-YESZJQIVSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC(C)C ZINC001279541940 809173067 /nfs/dbraw/zinc/17/30/67/809173067.db2.gz LURFEKUPAXYKAO-LSDHHAIUSA-N 1 1 298.858 3.240 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC(C)C ZINC001279541940 809173069 /nfs/dbraw/zinc/17/30/69/809173069.db2.gz LURFEKUPAXYKAO-LSDHHAIUSA-N 1 1 298.858 3.240 20 30 CGEDMO C#CCCCCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCC ZINC001279552190 809174529 /nfs/dbraw/zinc/17/45/29/809174529.db2.gz ADSJDEWQCGVNNJ-IAGOWNOFSA-N 1 1 290.451 3.045 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)/C(C)=C\CC ZINC001279542172 809174997 /nfs/dbraw/zinc/17/49/97/809174997.db2.gz MNEPVPIEAFBKSX-SYGOVTOWSA-N 1 1 296.842 3.161 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)/C(C)=C\CC ZINC001279542172 809174999 /nfs/dbraw/zinc/17/49/99/809174999.db2.gz MNEPVPIEAFBKSX-SYGOVTOWSA-N 1 1 296.842 3.161 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](C)CCC)[C@@H]2C1 ZINC001279605654 809175625 /nfs/dbraw/zinc/17/56/25/809175625.db2.gz KPTCPTRVYDMEBF-IXDOHACOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@H](C)CC)[C@@H]2C1 ZINC001279613099 809175802 /nfs/dbraw/zinc/17/58/02/809175802.db2.gz MGMLBGMMNVXBHD-IXDOHACOSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CCCC[C@@H](C)CC)CC1 ZINC001280747559 809197623 /nfs/dbraw/zinc/19/76/23/809197623.db2.gz SHEYIQCOTCBANC-DLBZAZTESA-N 1 1 292.467 3.197 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CCCC[C@H](C)CC)CC1 ZINC001280747562 809197978 /nfs/dbraw/zinc/19/79/78/809197978.db2.gz SHEYIQCOTCBANC-SJORKVTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@]1(C)CCC[C@H]1C ZINC001280855975 809201616 /nfs/dbraw/zinc/20/16/16/809201616.db2.gz GCNVBHCLBFYOAZ-NVXWUHKLSA-N 1 1 280.456 3.169 20 30 CGEDMO CC#CC[N@@H+](C)CCCN(C)C(=O)C[C@H](C)CC(C)(C)C ZINC001280866223 809203284 /nfs/dbraw/zinc/20/32/84/809203284.db2.gz VRDNYMMQUNRUFW-INIZCTEOSA-N 1 1 294.483 3.252 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2(CCCC)CC2)C(C)(C)C1 ZINC001281553146 809214625 /nfs/dbraw/zinc/21/46/25/809214625.db2.gz NRMLIVKKTWIFFM-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)C=C)C[C@@H]1C ZINC001281664833 809216443 /nfs/dbraw/zinc/21/64/43/809216443.db2.gz NUDXSNSRWCYDHQ-LSDHHAIUSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)C(CCC)CCC ZINC001281956351 809225476 /nfs/dbraw/zinc/22/54/76/809225476.db2.gz CLNRUKVSGPQKNV-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1C[N@@H+](C)CC(=C)C ZINC001281957385 809226290 /nfs/dbraw/zinc/22/62/90/809226290.db2.gz RANLZHFEUVHHHC-NVXWUHKLSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]1C[N@@H+](C)CC(=C)C ZINC001281957386 809226570 /nfs/dbraw/zinc/22/65/70/809226570.db2.gz RANLZHFEUVHHHC-RDJZCZTQSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCC(=O)NC[C@H](C)[N@H+](C)Cc1cc(C)ccc1F ZINC001282363485 809242936 /nfs/dbraw/zinc/24/29/36/809242936.db2.gz BNTPWFDHWBLQDU-AWEZNQCLSA-N 1 1 292.398 3.037 20 30 CGEDMO C=CCCC(=O)NC[C@H](C)[N@@H+](C)Cc1cc(C)ccc1F ZINC001282363485 809242941 /nfs/dbraw/zinc/24/29/41/809242941.db2.gz BNTPWFDHWBLQDU-AWEZNQCLSA-N 1 1 292.398 3.037 20 30 CGEDMO C=CCCCC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(C)cc1 ZINC001282448394 809247745 /nfs/dbraw/zinc/24/77/45/809247745.db2.gz ASSYSQVOYAZNAZ-MRXNPFEDSA-N 1 1 288.435 3.288 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H](C)[N@@H+](C)CC1=CCCCC1 ZINC001282444556 809247975 /nfs/dbraw/zinc/24/79/75/809247975.db2.gz SUDDHCZHFBNWBE-AWEZNQCLSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)C1CC(C(C)(C)C)C1 ZINC001282503765 809252910 /nfs/dbraw/zinc/25/29/10/809252910.db2.gz FYRDNKJMJGCLQF-WLYUNCDWSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)CSC(C)C ZINC001282654141 809256899 /nfs/dbraw/zinc/25/68/99/809256899.db2.gz DMLUVJOTQOUDEY-HNNXBMFYSA-N 1 1 298.496 3.065 20 30 CGEDMO C=CCCCCC[N@H+](C)C1CCN(C(=O)CCC)CC1 ZINC001283283286 809274109 /nfs/dbraw/zinc/27/41/09/809274109.db2.gz GZSHABFJLYCLQZ-UHFFFAOYSA-N 1 1 280.456 3.456 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)C2(CCF)CC2)CC1 ZINC001283318527 809276128 /nfs/dbraw/zinc/27/61/28/809276128.db2.gz AUTRMOZSTFMTGI-UHFFFAOYSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)CCC(=O)N[C@@]12CCC[C@@H]1[N@@H+](CC(C)C)CC2 ZINC001284057223 809293673 /nfs/dbraw/zinc/29/36/73/809293673.db2.gz KGTZBDVUQAUUHA-DOTOQJQBSA-N 1 1 278.440 3.112 20 30 CGEDMO CCc1ccc(CC[N@@H+](C)[C@@H]2CCC[C@H]2C#N)cc1 ZINC001175250222 809324892 /nfs/dbraw/zinc/32/48/92/809324892.db2.gz PHTPODGWPMPQOD-DLBZAZTESA-N 1 1 256.393 3.416 20 30 CGEDMO C=C(CC(C)C)C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC001292809420 809437976 /nfs/dbraw/zinc/43/79/76/809437976.db2.gz BQVXDGIQYUCYDD-UHFFFAOYSA-N 1 1 280.456 3.312 20 30 CGEDMO N#Cc1cccc(Nc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC001175858374 809560210 /nfs/dbraw/zinc/56/02/10/809560210.db2.gz YVIFIPLFRCOCDG-UHFFFAOYSA-N 1 1 293.370 3.134 20 30 CGEDMO C=C1CCC(CNC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001303406956 809610173 /nfs/dbraw/zinc/61/01/73/809610173.db2.gz SRJIRZBOMQWEDS-ZNMIVQPWSA-N 1 1 278.440 3.110 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCCC[C@]12CCOC2 ZINC001176977360 809772213 /nfs/dbraw/zinc/77/22/13/809772213.db2.gz JUUIPEVHAHWTIA-GOSISDBHSA-N 1 1 284.403 3.320 20 30 CGEDMO N#CCc1ccc(C[NH2+]Cc2cccc(O)c2Cl)cc1 ZINC001179028367 809900668 /nfs/dbraw/zinc/90/06/68/809900668.db2.gz PUBGDVOTUFJAMV-UHFFFAOYSA-N 1 1 286.762 3.401 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2N(C)C)CC1 ZINC001180030155 809968961 /nfs/dbraw/zinc/96/89/61/809968961.db2.gz JBWXGSFHKHMWPH-CQSZACIVSA-N 1 1 271.408 3.246 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1ccsc1C#N)Cc1ccccc1 ZINC001181138029 810040249 /nfs/dbraw/zinc/04/02/49/810040249.db2.gz AEPGRVDIWSLXKF-UHFFFAOYSA-N 1 1 299.399 3.080 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H]1C[C@]1(C)Br ZINC001181315088 810047288 /nfs/dbraw/zinc/04/72/88/810047288.db2.gz JUZXKIVJGCQVGI-TUAOUCFPSA-N 1 1 258.203 3.200 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2c(Cl)ccnc2F)C1 ZINC001182545128 810114041 /nfs/dbraw/zinc/11/40/41/810114041.db2.gz UPVFZBOGVQKYGF-LLVKDONJSA-N 1 1 266.747 3.109 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2c(Cl)ccnc2F)C1 ZINC001182545128 810114043 /nfs/dbraw/zinc/11/40/43/810114043.db2.gz UPVFZBOGVQKYGF-LLVKDONJSA-N 1 1 266.747 3.109 20 30 CGEDMO CC#CCCCCCCCC(=O)N[C@@]1(C)CCC[N@@H+](C)C1 ZINC001182772346 810124579 /nfs/dbraw/zinc/12/45/79/810124579.db2.gz VANLVQSVKROIFX-SFHVURJKSA-N 1 1 292.467 3.341 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccccc1-n1nnc2ccccc21 ZINC001182978266 810133886 /nfs/dbraw/zinc/13/38/86/810133886.db2.gz JUXTWIBJTDIIOX-UHFFFAOYSA-N 1 1 292.386 3.428 20 30 CGEDMO Cc1cc(F)c(C#N)c(N2CCC[N@H+](C(C)(C)C)CC2)c1 ZINC001185081849 810233500 /nfs/dbraw/zinc/23/35/00/810233500.db2.gz UJKVQGTUOULGEW-UHFFFAOYSA-N 1 1 289.398 3.316 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)CC)[C@@H]2C1 ZINC001186867383 810367043 /nfs/dbraw/zinc/36/70/43/810367043.db2.gz WQAFYRUIFSUEIG-IXDOHACOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)CCCC)[C@@H]2C1 ZINC001186966123 810376081 /nfs/dbraw/zinc/37/60/81/810376081.db2.gz PKAPMHZLDNDGOT-YESZJQIVSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]2C[N@H+](CCCCCCC)C[C@H]21 ZINC001187200588 810389401 /nfs/dbraw/zinc/38/94/01/810389401.db2.gz XXQYWLYPOOVSFI-DLBZAZTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CC3CCC3)[C@@H]2C1 ZINC001187456364 810399553 /nfs/dbraw/zinc/39/95/53/810399553.db2.gz SGBZNWQVASVRRT-BHYGNILZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)CCC3CCC3)[C@@H]2C1 ZINC001187487149 810400817 /nfs/dbraw/zinc/40/08/17/810400817.db2.gz ROJYIHHYEVBJLV-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)CCCCC)C1 ZINC001188916421 810523051 /nfs/dbraw/zinc/52/30/51/810523051.db2.gz YIAPAULIJMZECQ-HOTGVXAUSA-N 1 1 280.456 3.454 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)C2CC=CC2)C1 ZINC001189500186 810572309 /nfs/dbraw/zinc/57/23/09/810572309.db2.gz OOVSPBYVLJDYNE-KRWDZBQOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)CC(CC)CC)[C@@H]2C1 ZINC001189552906 810576843 /nfs/dbraw/zinc/57/68/43/810576843.db2.gz WXLPGBBLHCURRJ-LSDHHAIUSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)CC(CC)CC)[C@@H]2C1 ZINC001189552906 810576850 /nfs/dbraw/zinc/57/68/50/810576850.db2.gz WXLPGBBLHCURRJ-LSDHHAIUSA-N 1 1 298.858 3.098 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)CCC(C)(C)C)[C@@H]2C1 ZINC001189810943 810590483 /nfs/dbraw/zinc/59/04/83/810590483.db2.gz ODJMTMVSUIXNLD-HRCADAONSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)c2ccoc2Cl)C1 ZINC001189867240 810592456 /nfs/dbraw/zinc/59/24/56/810592456.db2.gz VZOPJRAMVYQUCL-LBPRGKRZSA-N 1 1 296.798 3.046 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)c2cc(C)cs2)C1 ZINC001189983802 810600456 /nfs/dbraw/zinc/60/04/56/810600456.db2.gz OCOLRPOJSCAOPR-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)C(C)C)C1 ZINC001190344983 810621077 /nfs/dbraw/zinc/62/10/77/810621077.db2.gz NMAJMZVWRNETFZ-OAHLLOKOSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@H]([N@H+](C)CC/C=C\CC)C1 ZINC001190397550 810625722 /nfs/dbraw/zinc/62/57/22/810625722.db2.gz LJXXNACEBHMHQH-QWGSZXSUSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@@H]([N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001190435119 810628590 /nfs/dbraw/zinc/62/85/90/810628590.db2.gz CMEOLFPZOLUUAT-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO CCCCCCCCC[N@@H+](C)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC001190494052 810629733 /nfs/dbraw/zinc/62/97/33/810629733.db2.gz NKTHMWWQAHWQCZ-YESZJQIVSA-N 1 1 283.456 3.473 20 30 CGEDMO Cc1ccc(C[N@H+]2CC(C)(C)OCC2(C)C)cc1C#N ZINC001191085800 810673085 /nfs/dbraw/zinc/67/30/85/810673085.db2.gz SIIYBBLAEBMVPY-UHFFFAOYSA-N 1 1 272.392 3.256 20 30 CGEDMO CCCCCCCNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001191123398 810679400 /nfs/dbraw/zinc/67/94/00/810679400.db2.gz PAUBZAFGDSEDNV-HNNXBMFYSA-N 1 1 297.487 3.376 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CC[C@@](C)(CCc2ccccc2)C1 ZINC001191444141 810714771 /nfs/dbraw/zinc/71/47/71/810714771.db2.gz IQKNOLKRNPSDED-QZTJIDSGSA-N 1 1 273.420 3.268 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@@H]([N@H+](C)CC/C=C\CC)C1 ZINC001191718409 810731934 /nfs/dbraw/zinc/73/19/34/810731934.db2.gz GHZUCARQMYMKKN-WHLNPGIBSA-N 1 1 278.440 3.088 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C)C1 ZINC001191735051 810733879 /nfs/dbraw/zinc/73/38/79/810733879.db2.gz KAFNKYJEUSQVRL-BZUAXINKSA-N 1 1 280.456 3.146 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC2(C)C)C1 ZINC001191781687 810740849 /nfs/dbraw/zinc/74/08/49/810740849.db2.gz SMJRIQGSEOKYBQ-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO CC#CCCCC(=O)N1CC[C@@H]([N@H+](C)CC(CC)CC)C1 ZINC001191859854 810752814 /nfs/dbraw/zinc/75/28/14/810752814.db2.gz SAIXRSBKNDKMQL-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC[C@H]([N@@H+](C)CCC(=C)C)C1 ZINC001191890074 810753856 /nfs/dbraw/zinc/75/38/56/810753856.db2.gz NPDFJWIYIMZUJZ-HOTGVXAUSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([N@@H+](C)CC=C(C)C)C1 ZINC001191902062 810755749 /nfs/dbraw/zinc/75/57/49/810755749.db2.gz MAZHCBKJIZQWDB-JKSUJKDBSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCC1(C(=O)N2CC[C@H]([N@H+](C)CCCCC)C2)CC1 ZINC001192218925 810777278 /nfs/dbraw/zinc/77/72/78/810777278.db2.gz YSXYBQTXOQNZKI-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2CC)C1 ZINC001192436429 810798051 /nfs/dbraw/zinc/79/80/51/810798051.db2.gz WBZHTLCMSZNABB-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](CCC)C(C)C)C1 ZINC001192611802 810810013 /nfs/dbraw/zinc/81/00/13/810810013.db2.gz RJEHUGDIZJOWAE-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO CCCCCCC[C@H](C)NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001192937415 810829936 /nfs/dbraw/zinc/82/99/36/810829936.db2.gz CFBBYVHYOSJHJV-HRCADAONSA-N 1 1 295.471 3.223 20 30 CGEDMO CCCCCCC[C@H](C)NC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC001192927703 810830297 /nfs/dbraw/zinc/83/02/97/810830297.db2.gz WCPJUUQAEOBMAF-HOTGVXAUSA-N 1 1 295.471 3.225 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@](C)(CC)CCC)C1 ZINC001193077524 810852630 /nfs/dbraw/zinc/85/26/30/810852630.db2.gz JOYKISKOIXNZNO-RDJZCZTQSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001193432070 810887799 /nfs/dbraw/zinc/88/77/99/810887799.db2.gz GSDMWCKGKLXFKZ-GJZGRUSLSA-N 1 1 280.456 3.168 20 30 CGEDMO CC[C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC001193459472 810890955 /nfs/dbraw/zinc/89/09/55/810890955.db2.gz DAKJTTCCUZORTA-PMPSAXMXSA-N 1 1 278.440 3.332 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H](CC)C(C)C)C1 ZINC001193570418 810911210 /nfs/dbraw/zinc/91/12/10/810911210.db2.gz JNMUTEGFIAJXEK-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)c2cccc(Cl)c2)C1 ZINC001193652409 810928997 /nfs/dbraw/zinc/92/89/97/810928997.db2.gz UCXKIWHMHUWTEM-HNNXBMFYSA-N 1 1 292.810 3.062 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC001193659589 810930382 /nfs/dbraw/zinc/93/03/82/810930382.db2.gz CBPGTUZTAXGATQ-HUUCEWRRSA-N 1 1 268.445 3.323 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)c2cc(C)ccc2C)C1 ZINC001193683166 810934565 /nfs/dbraw/zinc/93/45/65/810934565.db2.gz AEPXMDVZDACOAL-MRXNPFEDSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)C[C@H](C)C(C)(C)C)C1 ZINC001193695521 810937157 /nfs/dbraw/zinc/93/71/57/810937157.db2.gz JBJNWFRPSXKMMR-GJZGRUSLSA-N 1 1 280.456 3.168 20 30 CGEDMO CCCCCCCOC(=O)NC[C@@H]1CCCC[N@H+]1C ZINC001194012545 811001514 /nfs/dbraw/zinc/00/15/14/811001514.db2.gz SOQYBYDOOYPLDR-AWEZNQCLSA-N 1 1 270.417 3.167 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)[C@H](C)c1ccncc1 ZINC001194165823 811024915 /nfs/dbraw/zinc/02/49/15/811024915.db2.gz VZTGVOFTSYVILN-OAHLLOKOSA-N 1 1 250.345 3.278 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)[C@H](C)c1ccncc1 ZINC001194165823 811024920 /nfs/dbraw/zinc/02/49/20/811024920.db2.gz VZTGVOFTSYVILN-OAHLLOKOSA-N 1 1 250.345 3.278 20 30 CGEDMO CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](CCCC)C(C)C)C1 ZINC001194336233 811053853 /nfs/dbraw/zinc/05/38/53/811053853.db2.gz HNNKTSSBPRKLLQ-IRXDYDNUSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)CCC)C2)CCCC1 ZINC001194566359 811092214 /nfs/dbraw/zinc/09/22/14/811092214.db2.gz FNJKGBKGTDGQEI-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO CCCCCCCCOC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001194743765 811121704 /nfs/dbraw/zinc/12/17/04/811121704.db2.gz QVUCCFRWCGCTKT-GASCZTMLSA-N 1 1 282.428 3.262 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H](CC)CCCC)CC1 ZINC001194935956 811174740 /nfs/dbraw/zinc/17/47/40/811174740.db2.gz KAYZRJNUUONIII-INIZCTEOSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCCC(=O)N1CCC[N@H+](C[C@H](C)CC(C)C)CC1 ZINC001195226529 811229080 /nfs/dbraw/zinc/22/90/80/811229080.db2.gz SBPRBQWARPZULL-MRXNPFEDSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)C[C@@H](C)CCC)CC1 ZINC001195226454 811229778 /nfs/dbraw/zinc/22/97/78/811229778.db2.gz QLLDAGRGSYIGAV-INIZCTEOSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C(F)=C(C)C)CC1 ZINC001195474095 811258851 /nfs/dbraw/zinc/25/88/51/811258851.db2.gz TZQJAODXWGSPFR-CQSZACIVSA-N 1 1 282.403 3.139 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[N@H+](CC=C(C)C)CC1 ZINC001195982613 811308435 /nfs/dbraw/zinc/30/84/35/811308435.db2.gz ZUKLLCPFEJLJQA-UHFFFAOYSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCCCC[N@H+](CC)CCNC(=O)OC(C)(C)C ZINC001196168651 811324714 /nfs/dbraw/zinc/32/47/14/811324714.db2.gz WOSGYUFMQRBAIU-UHFFFAOYSA-N 1 1 270.417 3.189 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@](C)(F)CCCC)CC1 ZINC001196358905 811337286 /nfs/dbraw/zinc/33/72/86/811337286.db2.gz QCYNKMRRGGTXGN-QGZVFWFLSA-N 1 1 298.446 3.405 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)c2cocc2C)CC1 ZINC001196775763 811364806 /nfs/dbraw/zinc/36/48/06/811364806.db2.gz WUAXOMUXCYHXKZ-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@@H](C)C2)CC1 ZINC001196943557 811386728 /nfs/dbraw/zinc/38/67/28/811386728.db2.gz QSJYCVFQUFGMBH-SJORKVTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCN(C(=O)C[C@@H]2C[C@@H]2C)CC1 ZINC001197038284 811391567 /nfs/dbraw/zinc/39/15/67/811391567.db2.gz WFMDFOKFDLKHPB-IRXDYDNUSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C2(C(C)C)CC2)CC1 ZINC001197084725 811396686 /nfs/dbraw/zinc/39/66/86/811396686.db2.gz XMJLSXJOILTOTM-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1ccc(F)c(C#N)c1 ZINC001197116882 811399434 /nfs/dbraw/zinc/39/94/34/811399434.db2.gz VKUHVGJFTWMIIH-UHFFFAOYSA-N 1 1 293.345 3.244 20 30 CGEDMO N#CCc1ccc(C[N@@H+]2CCCC[C@H]2c2ncccn2)cc1 ZINC001197451770 811425140 /nfs/dbraw/zinc/42/51/40/811425140.db2.gz YHWBBDZWSMWUCZ-KRWDZBQOSA-N 1 1 292.386 3.270 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCCC[C@H]2c2ncccn2)cc1 ZINC001197451770 811425146 /nfs/dbraw/zinc/42/51/46/811425146.db2.gz YHWBBDZWSMWUCZ-KRWDZBQOSA-N 1 1 292.386 3.270 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@H](C)[C@@H](C)CC)CC1 ZINC001197596469 811431557 /nfs/dbraw/zinc/43/15/57/811431557.db2.gz IDDJFZLPZQLPNK-JKSUJKDBSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCCCN1CC[N@@H+](C2CCCC2)[C@H](C)C1 ZINC001197798790 811453459 /nfs/dbraw/zinc/45/34/59/811453459.db2.gz QHAODKGIMRQPSA-OAHLLOKOSA-N 1 1 250.430 3.291 20 30 CGEDMO C=CCCCC[N@@H+]1CCN(C2CCCC2)[C@H](C)C1 ZINC001197798790 811453464 /nfs/dbraw/zinc/45/34/64/811453464.db2.gz QHAODKGIMRQPSA-OAHLLOKOSA-N 1 1 250.430 3.291 20 30 CGEDMO C=CCCCC[N@H+]1CCN(C2CCCC2)[C@H](C)C1 ZINC001197798790 811453469 /nfs/dbraw/zinc/45/34/69/811453469.db2.gz QHAODKGIMRQPSA-OAHLLOKOSA-N 1 1 250.430 3.291 20 30 CGEDMO C#CC[N@H+](CCC(=O)Nc1ccc(Cl)cc1)C(C)(C)C ZINC001197929695 811465277 /nfs/dbraw/zinc/46/52/77/811465277.db2.gz KXGIZGBDBDLVJC-UHFFFAOYSA-N 1 1 292.810 3.402 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1nnc(CC)s1 ZINC001198414351 811498900 /nfs/dbraw/zinc/49/89/00/811498900.db2.gz MXOMIZYBSIVPIO-LLVKDONJSA-N 1 1 251.399 3.031 20 30 CGEDMO C=CCC[C@H]1CCC[N@H+]1CC(=O)Nc1c(F)cccc1F ZINC001198414512 811499315 /nfs/dbraw/zinc/49/93/15/811499315.db2.gz UVSXQTWXFGYPCG-LBPRGKRZSA-N 1 1 294.345 3.334 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1CC(=O)Nc1c(F)cccc1F ZINC001198414512 811499317 /nfs/dbraw/zinc/49/93/17/811499317.db2.gz UVSXQTWXFGYPCG-LBPRGKRZSA-N 1 1 294.345 3.334 20 30 CGEDMO CC(C)(C)C[N@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001201443061 811850476 /nfs/dbraw/zinc/85/04/76/811850476.db2.gz OQRXSIUAPZCXSC-OAHLLOKOSA-N 1 1 272.392 3.448 20 30 CGEDMO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](CCCCC)C2 ZINC001201730485 811950255 /nfs/dbraw/zinc/95/02/55/811950255.db2.gz JIIWSYFSONBQSE-IRXDYDNUSA-N 1 1 281.440 3.250 20 30 CGEDMO CCCCCCC[N@@H+]1Cc2cnn(C)c2[C@H](COCC)C1 ZINC001201762767 811962889 /nfs/dbraw/zinc/96/28/89/811962889.db2.gz UFSLEIITLDEKHL-INIZCTEOSA-N 1 1 293.455 3.326 20 30 CGEDMO C=CCOC(=O)N[C@@H]1CCC[N@H+](CCCCCCC)C1 ZINC001201804087 811966061 /nfs/dbraw/zinc/96/60/61/811966061.db2.gz AKVFUJBDPXYJRA-OAHLLOKOSA-N 1 1 282.428 3.333 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](Oc2ncncc2C)C1 ZINC001201797988 811966070 /nfs/dbraw/zinc/96/60/70/811966070.db2.gz KFJJKVSGJGROLX-OAHLLOKOSA-N 1 1 277.412 3.209 20 30 CGEDMO CCCCCCCC[N@@H+]1Cc2ncn(C)c2[C@H](COC)C1 ZINC001201815186 811968381 /nfs/dbraw/zinc/96/83/81/811968381.db2.gz YOHYYNHCQJJWAH-HNNXBMFYSA-N 1 1 293.455 3.326 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@H](Oc2ncccn2)C1 ZINC001201840191 811969289 /nfs/dbraw/zinc/96/92/89/811969289.db2.gz OPWPCICQLIJTAY-HNNXBMFYSA-N 1 1 277.412 3.290 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccc(OC)cc1OC ZINC001203482057 812374112 /nfs/dbraw/zinc/37/41/12/812374112.db2.gz QQBUDKVTSDVZPA-UHFFFAOYSA-N 1 1 263.381 3.492 20 30 CGEDMO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1C ZINC001203898455 812486102 /nfs/dbraw/zinc/48/61/02/812486102.db2.gz AERNGOPYGPALFO-PHZGNYQRSA-N 1 1 270.376 3.270 20 30 CGEDMO N#Cc1ccc2c(c1)CC[N@@H+](Cc1ccc(F)cc1)C2 ZINC001203912844 812489867 /nfs/dbraw/zinc/48/98/67/812489867.db2.gz GXEVNWQWCVVVQE-UHFFFAOYSA-N 1 1 266.319 3.256 20 30 CGEDMO N#Cc1ccc2c(c1)CC[N@H+](Cc1ccc(F)cc1)C2 ZINC001203912844 812489870 /nfs/dbraw/zinc/48/98/70/812489870.db2.gz GXEVNWQWCVVVQE-UHFFFAOYSA-N 1 1 266.319 3.256 20 30 CGEDMO CCc1ccc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)o1 ZINC001204393398 812628432 /nfs/dbraw/zinc/62/84/32/812628432.db2.gz WEFJAAAJXFWPAI-UHFFFAOYSA-N 1 1 295.386 3.036 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cn(C(C)=O)c3ccccc23)C1 ZINC001204409908 812630255 /nfs/dbraw/zinc/63/02/55/812630255.db2.gz JDEDSBKICPPEAO-HNNXBMFYSA-N 1 1 280.371 3.147 20 30 CGEDMO COc1cc(C[N@H+](CCC#N)C2CCCC2)ccc1F ZINC001204561420 812676850 /nfs/dbraw/zinc/67/68/50/812676850.db2.gz KPNJLZRUXOOVHM-UHFFFAOYSA-N 1 1 276.355 3.493 20 30 CGEDMO COc1cc(C[N@@H+](CCC#N)C2CCCC2)ccc1F ZINC001204561420 812676853 /nfs/dbraw/zinc/67/68/53/812676853.db2.gz KPNJLZRUXOOVHM-UHFFFAOYSA-N 1 1 276.355 3.493 20 30 CGEDMO CC(C)(C)CO[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001204886759 812763925 /nfs/dbraw/zinc/76/39/25/812763925.db2.gz LSMKVUARDJSMSC-INIZCTEOSA-N 1 1 272.392 3.195 20 30 CGEDMO CC(C)(C)CO[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001204886759 812763929 /nfs/dbraw/zinc/76/39/29/812763929.db2.gz LSMKVUARDJSMSC-INIZCTEOSA-N 1 1 272.392 3.195 20 30 CGEDMO C=C(C)COc1ccccc1CN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001205304021 812941940 /nfs/dbraw/zinc/94/19/40/812941940.db2.gz MXWQCBKLRLHYJT-NVXWUHKLSA-N 1 1 288.435 3.058 20 30 CGEDMO C[C@H]1CCN(Cc2cccc(Cl)c2C#N)CC[C@@H]1C[NH3+] ZINC001205617956 813028946 /nfs/dbraw/zinc/02/89/46/813028946.db2.gz PYPQLLVGEXPQBL-QWHCGFSZSA-N 1 1 291.826 3.018 20 30 CGEDMO N#CCCCO[C@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001205647418 813040840 /nfs/dbraw/zinc/04/08/40/813040840.db2.gz BKZWJCXNHJELEY-HNNXBMFYSA-N 1 1 278.783 3.235 20 30 CGEDMO C#C[C@H]([NH2+]Cc1ccccc1NC)c1ccc(F)cc1 ZINC001205980331 813150872 /nfs/dbraw/zinc/15/08/72/813150872.db2.gz HSKBNKQDWMJGDA-INIZCTEOSA-N 1 1 268.335 3.332 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](CC2(CCCOC)CCC2)C1 ZINC001206409589 813316143 /nfs/dbraw/zinc/31/61/43/813316143.db2.gz LIPHIMJAIGPPFV-MRXNPFEDSA-N 1 1 263.425 3.319 20 30 CGEDMO CC(C)CCCC[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC001206576248 813359643 /nfs/dbraw/zinc/35/96/43/813359643.db2.gz ATODFVHESYTSHQ-KRWDZBQOSA-N 1 1 274.408 3.350 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1Nc1c(C)cc(C#N)cc1C#N ZINC001206743519 813417700 /nfs/dbraw/zinc/41/77/00/813417700.db2.gz MJLZKGQVEROMER-UHFFFAOYSA-N 1 1 291.358 3.251 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)/C(C)=C/C)C1 ZINC001206841621 813450655 /nfs/dbraw/zinc/45/06/55/813450655.db2.gz LWXVZACXPAPSOF-KOBNLHKSSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2=CCCC2)C1 ZINC001206868600 813455683 /nfs/dbraw/zinc/45/56/83/813455683.db2.gz VYEIXJSFNAKISB-NVXWUHKLSA-N 1 1 290.451 3.280 20 30 CGEDMO C[C@@]1(C[N@H+]2CCc3c(CC#N)cccc3C2)CCCCO1 ZINC001207008969 813466191 /nfs/dbraw/zinc/46/61/91/813466191.db2.gz QKDWLQYIKADWGB-SFHVURJKSA-N 1 1 284.403 3.070 20 30 CGEDMO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCCC(C)(C)C)C1 ZINC001207084940 813482278 /nfs/dbraw/zinc/48/22/78/813482278.db2.gz JCGJVZNSSMRWTD-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCN(CC[N@H+]1CCCC12CC2)C(=O)OC(C)(C)C ZINC001207200043 813515325 /nfs/dbraw/zinc/51/53/25/813515325.db2.gz XPGZKVULDDOPKS-UHFFFAOYSA-N 1 1 280.412 3.038 20 30 CGEDMO C=CCN(CC[N@@H+]1CCCC[C@@H]1C)C(=O)OC(C)(C)C ZINC001207199946 813516113 /nfs/dbraw/zinc/51/61/13/813516113.db2.gz WBFZJFKSRPKITO-AWEZNQCLSA-N 1 1 282.428 3.284 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](CCc2ccc(Br)cc2)C1 ZINC001207385453 813557435 /nfs/dbraw/zinc/55/74/35/813557435.db2.gz ZJBBDHXWXWHDCO-AWEZNQCLSA-N 1 1 293.208 3.227 20 30 CGEDMO CC#CC[N@@H+](C)Cc1ccc(C(F)(F)F)c(C)c1 ZINC001207715211 813640491 /nfs/dbraw/zinc/64/04/91/813640491.db2.gz AIBQIKHCTLLLRL-UHFFFAOYSA-N 1 1 255.283 3.469 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(F)CCCC2)C1 ZINC001207789599 813650723 /nfs/dbraw/zinc/65/07/23/813650723.db2.gz BOVNJDHTDWGOKH-QLFBSQMISA-N 1 1 296.430 3.060 20 30 CGEDMO N#C[C@@H]1CC[N@@H+](CCCc2cccc(C(F)(F)F)c2)C1 ZINC001207845835 813662055 /nfs/dbraw/zinc/66/20/55/813662055.db2.gz OBBVGURUYLLNLJ-ZDUSSCGKSA-N 1 1 282.309 3.483 20 30 CGEDMO N#C[C@@H]1CC[N@H+](CCCc2cccc(C(F)(F)F)c2)C1 ZINC001207845835 813662060 /nfs/dbraw/zinc/66/20/60/813662060.db2.gz OBBVGURUYLLNLJ-ZDUSSCGKSA-N 1 1 282.309 3.483 20 30 CGEDMO C=CCCCCCCCCC[N@@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001207896534 813667223 /nfs/dbraw/zinc/66/72/23/813667223.db2.gz QOHDEMQNCPZVMD-LSDHHAIUSA-N 1 1 257.393 3.308 20 30 CGEDMO C=CCCCCCCCCC[N@@H+]1CCc2nncn2CC1 ZINC001207899342 813667339 /nfs/dbraw/zinc/66/73/39/813667339.db2.gz WAGPNIMOUCANCO-UHFFFAOYSA-N 1 1 290.455 3.443 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@H](C)[C@](C)(O)C2)CC1 ZINC001208171040 813723499 /nfs/dbraw/zinc/72/34/99/813723499.db2.gz OOOQEOSQZRHNJB-DJIMGWMZSA-N 1 1 263.425 3.382 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@H]3C[C@]32C(=O)OCC)CC1 ZINC001208170540 813723881 /nfs/dbraw/zinc/72/38/81/813723881.db2.gz IDFJUYXVEXQJDL-SOLBZPMBSA-N 1 1 289.419 3.317 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@H]3C[C@]32C(=O)OCC)CC1 ZINC001208170540 813723886 /nfs/dbraw/zinc/72/38/86/813723886.db2.gz IDFJUYXVEXQJDL-SOLBZPMBSA-N 1 1 289.419 3.317 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@H](C)[C@@H](O)CC2)CC1 ZINC001208171701 813726110 /nfs/dbraw/zinc/72/61/10/813726110.db2.gz XMSYSHPOPCQICN-UAGQMJEPSA-N 1 1 263.425 3.382 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@H](c3nc(C)no3)C2)CC1 ZINC001208177854 813728895 /nfs/dbraw/zinc/72/88/95/813728895.db2.gz IBTLUNBBEVGAAQ-HZPDHXFCSA-N 1 1 287.407 3.470 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@@H](C)N(C)[C@@H](C)C2)CC1 ZINC001208177795 813728929 /nfs/dbraw/zinc/72/89/29/813728929.db2.gz FQYUJZMQSMCCFV-HLLBOEOZSA-N 1 1 262.441 3.313 20 30 CGEDMO C=C(C)[C@@H]1CC=C(CN2C[C@@H](C)[N@H+](C)[C@@H](C)C2)CC1 ZINC001208177795 813728936 /nfs/dbraw/zinc/72/89/36/813728936.db2.gz FQYUJZMQSMCCFV-HLLBOEOZSA-N 1 1 262.441 3.313 20 30 CGEDMO C=C(C)[C@@H]1CC=C(CN2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)CC1 ZINC001208177795 813728941 /nfs/dbraw/zinc/72/89/41/813728941.db2.gz FQYUJZMQSMCCFV-HLLBOEOZSA-N 1 1 262.441 3.313 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H]3OC[C@@H](C)[C@H]3C2)CC1 ZINC001208178262 813729162 /nfs/dbraw/zinc/72/91/62/813729162.db2.gz PHYLYISUYIMZSX-MWQQHZPXSA-N 1 1 261.409 3.256 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(CC)CC)C[C@H]1C ZINC001208298000 813752932 /nfs/dbraw/zinc/75/29/32/813752932.db2.gz BEWWVDQIAKRMPB-GDBMZVCRSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC2CC(C)C2)C[C@H]1C ZINC001208298583 813754044 /nfs/dbraw/zinc/75/40/44/813754044.db2.gz TULMZYWVMNDGHH-GYTBAZASSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](CCCCC)C[C@H]1C ZINC001208396047 813759734 /nfs/dbraw/zinc/75/97/34/813759734.db2.gz MIWWKSLLJJSKHR-OWCLPIDISA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCN1C(=O)CCC[C@@]12CCC[N@H+](CC/C=C\CC)C2 ZINC001208725173 813815593 /nfs/dbraw/zinc/81/55/93/813815593.db2.gz HXWRQMIKKNGYKC-XFHJGTJQSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](CCCC(C)C)C2 ZINC001208734026 813823206 /nfs/dbraw/zinc/82/32/06/813823206.db2.gz YVYCEFRVGWLGTL-MSOLQXFVSA-N 1 1 295.467 3.496 20 30 CGEDMO N#C[C@@H]1CC[N@@H+](CCCc2ccccc2C(F)(F)F)C1 ZINC001208830941 813857792 /nfs/dbraw/zinc/85/77/92/813857792.db2.gz IEASKEINZPTEHC-LBPRGKRZSA-N 1 1 282.309 3.483 20 30 CGEDMO N#C[C@@H]1CC[N@H+](CCCc2ccccc2C(F)(F)F)C1 ZINC001208830941 813857798 /nfs/dbraw/zinc/85/77/98/813857798.db2.gz IEASKEINZPTEHC-LBPRGKRZSA-N 1 1 282.309 3.483 20 30 CGEDMO C[C@@]1(CF)CC[N@@H+](CCCc2ccc(C#N)cc2)C1 ZINC001208855413 813867576 /nfs/dbraw/zinc/86/75/76/813867576.db2.gz BHFHADNXABKUTP-INIZCTEOSA-N 1 1 260.356 3.172 20 30 CGEDMO C[N@@H+]1CC=C(Nc2ccc(N3CCCCC3)c(C#N)c2)CC1 ZINC001208856584 813869520 /nfs/dbraw/zinc/86/95/20/813869520.db2.gz GSUDONKSOAAILZ-UHFFFAOYSA-N 1 1 296.418 3.180 20 30 CGEDMO N#Cc1ccc(CCC[N@@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)cc1 ZINC001208860495 813872350 /nfs/dbraw/zinc/87/23/50/813872350.db2.gz NFGIYQPDCGFMBJ-MSOLQXFVSA-N 1 1 296.414 3.324 20 30 CGEDMO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](C[C@@H]2CCC=CO2)C1 ZINC001208880848 813879163 /nfs/dbraw/zinc/87/91/63/813879163.db2.gz PSYPQIVYVNFQDO-DLBZAZTESA-N 1 1 298.386 3.094 20 30 CGEDMO C[C@]1(F)CCC[N@@H+](CCc2ccc(C#N)cc2)CC1 ZINC001208920543 813899248 /nfs/dbraw/zinc/89/92/48/813899248.db2.gz KRFSELAXYLQDIF-INIZCTEOSA-N 1 1 260.356 3.315 20 30 CGEDMO C[N@@H+](CCc1ccc(C#N)cc1)Cc1nc2ccccc2o1 ZINC001208926870 813902413 /nfs/dbraw/zinc/90/24/13/813902413.db2.gz DPNUVSAPYYIEJQ-UHFFFAOYSA-N 1 1 291.354 3.374 20 30 CGEDMO N#CC[C@H]1CCCN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208947847 813906892 /nfs/dbraw/zinc/90/68/92/813906892.db2.gz DNXIBWFAGOMJFW-RTBURBONSA-N 1 1 297.446 3.134 20 30 CGEDMO N#CC[C@H]1CCCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208947847 813906900 /nfs/dbraw/zinc/90/69/00/813906900.db2.gz DNXIBWFAGOMJFW-RTBURBONSA-N 1 1 297.446 3.134 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208947847 813906908 /nfs/dbraw/zinc/90/69/08/813906908.db2.gz DNXIBWFAGOMJFW-RTBURBONSA-N 1 1 297.446 3.134 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208947847 813906909 /nfs/dbraw/zinc/90/69/09/813906909.db2.gz DNXIBWFAGOMJFW-RTBURBONSA-N 1 1 297.446 3.134 20 30 CGEDMO C[N@@H+]1CC=C(Nc2ccc(Cl)c(C#N)c2Cl)CC1 ZINC001208980769 813912701 /nfs/dbraw/zinc/91/27/01/813912701.db2.gz WTUWHHFSLSTMNU-UHFFFAOYSA-N 1 1 282.174 3.496 20 30 CGEDMO C=CCN(CC[N@H+]1CCC12CCCCC2)C(=O)OCC ZINC001209016880 813917407 /nfs/dbraw/zinc/91/74/07/813917407.db2.gz GXQNPKYAXGQCEK-UHFFFAOYSA-N 1 1 280.412 3.040 20 30 CGEDMO C=CCCC[N@@H+](C1CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001209162935 813953535 /nfs/dbraw/zinc/95/35/35/813953535.db2.gz PKCUUXIGGCDMRI-UHFFFAOYSA-N 1 1 280.412 3.036 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001209163046 813954054 /nfs/dbraw/zinc/95/40/54/813954054.db2.gz SEQOBAQMCRUEDM-QGZVFWFLSA-N 1 1 270.376 3.368 20 30 CGEDMO C=CCCC[N@@H+](CCC(=O)OCC)[C@H](CCC)COC ZINC001209164291 813955588 /nfs/dbraw/zinc/95/55/88/813955588.db2.gz WOOWNEHEYZHYOF-OAHLLOKOSA-N 1 1 285.428 3.023 20 30 CGEDMO C=CC[N@@H+](C)CC[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC001209180836 813957158 /nfs/dbraw/zinc/95/71/58/813957158.db2.gz YOYFAISRBDCBMG-AWEZNQCLSA-N 1 1 282.428 3.284 20 30 CGEDMO C=CCCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)CC12CC2 ZINC001209201622 813964426 /nfs/dbraw/zinc/96/44/26/813964426.db2.gz OQDDWOJYSPWJIH-UHFFFAOYSA-N 1 1 294.439 3.428 20 30 CGEDMO C#CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1Cl ZINC001209268155 813990055 /nfs/dbraw/zinc/99/00/55/813990055.db2.gz APHUCJGCOPEDRU-KBPBESRZSA-N 1 1 274.795 3.016 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@H+](CC1Cc3ccccc3C1)CC2 ZINC001209319600 813999016 /nfs/dbraw/zinc/99/90/16/813999016.db2.gz LTPCYLZXMZQMHQ-UHFFFAOYSA-N 1 1 288.394 3.331 20 30 CGEDMO CCCC[N@@H+](CCC#N)C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001209388656 814010642 /nfs/dbraw/zinc/01/06/42/814010642.db2.gz NYMRTYANHXXHBC-QDMKHBRRSA-N 1 1 252.402 3.206 20 30 CGEDMO C[C@@H]1C[C@H]1C[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001209422900 814024723 /nfs/dbraw/zinc/02/47/23/814024723.db2.gz ZSZXUCIMNDUBLA-KBMXLJTQSA-N 1 1 270.376 3.057 20 30 CGEDMO C=CCCCCC[N@@H+]1CCN(Cc2ccccc2)C(=O)C1 ZINC001209429100 814029918 /nfs/dbraw/zinc/02/99/18/814029918.db2.gz SYIIFHMXDNSHBW-UHFFFAOYSA-N 1 1 286.419 3.077 20 30 CGEDMO C=CCCCCC[N@H+]1CCN(Cc2ccccc2)C(=O)C1 ZINC001209429100 814029923 /nfs/dbraw/zinc/02/99/23/814029923.db2.gz SYIIFHMXDNSHBW-UHFFFAOYSA-N 1 1 286.419 3.077 20 30 CGEDMO C=CCCCCCC[N@@H+]1CC[C@H](Oc2nccnc2C)C1 ZINC001209441042 814041945 /nfs/dbraw/zinc/04/19/45/814041945.db2.gz SHELDZUHJXWWQO-INIZCTEOSA-N 1 1 289.423 3.375 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CCn2c(CC)nnc2C1 ZINC001209442552 814042852 /nfs/dbraw/zinc/04/28/52/814042852.db2.gz UXZAPOAOTZDBSP-UHFFFAOYSA-N 1 1 276.428 3.183 20 30 CGEDMO C=CCCCCCCC[N@H+]1CCn2c(CC)nnc2C1 ZINC001209442552 814042859 /nfs/dbraw/zinc/04/28/59/814042859.db2.gz UXZAPOAOTZDBSP-UHFFFAOYSA-N 1 1 276.428 3.183 20 30 CGEDMO C=CCCCCCCC[N@H+]1CCc2cnn(C)c2C1 ZINC001209442887 814043422 /nfs/dbraw/zinc/04/34/22/814043422.db2.gz ZFLHBVHGKFGQJO-UHFFFAOYSA-N 1 1 261.413 3.305 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CC[C@@](F)(CO)C1 ZINC001209442317 814043977 /nfs/dbraw/zinc/04/39/77/814043977.db2.gz FMXHGPWWKMSWNF-HNNXBMFYSA-N 1 1 257.393 3.309 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CCC[C@H](NC(=O)NC)C1 ZINC001209445306 814045612 /nfs/dbraw/zinc/04/56/12/814045612.db2.gz ILHJFANRISNSSJ-INIZCTEOSA-N 1 1 295.471 3.297 20 30 CGEDMO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@H](C#N)C2)cc1 ZINC001209520482 814073529 /nfs/dbraw/zinc/07/35/29/814073529.db2.gz YKIPUTMZIUGJBB-QGZVFWFLSA-N 1 1 279.387 3.440 20 30 CGEDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@H](C#N)C2)cc1 ZINC001209520482 814073536 /nfs/dbraw/zinc/07/35/36/814073536.db2.gz YKIPUTMZIUGJBB-QGZVFWFLSA-N 1 1 279.387 3.440 20 30 CGEDMO N#Cc1cc(F)ccc1Nc1c[nH+]c2ccccn12 ZINC001210550578 814521445 /nfs/dbraw/zinc/52/14/45/814521445.db2.gz KJEPFQPHIUNXHT-UHFFFAOYSA-N 1 1 252.252 3.089 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)C(C)(C)C)C1 ZINC001210619850 814559792 /nfs/dbraw/zinc/55/97/92/814559792.db2.gz IRBZZAQWLHIWCJ-OWCLPIDISA-N 1 1 294.483 3.461 20 30 CGEDMO Cc1cc(-c2ccccc2C[NH+]2CCOCC2)ccc1C#N ZINC001242768729 823127443 /nfs/dbraw/zinc/12/74/43/823127443.db2.gz NYASVFBDRMEHOW-UHFFFAOYSA-N 1 1 292.382 3.366 20 30 CGEDMO C=CC[C@H]1CCCC[C@@H]1NC(=O)Nc1cc(C)[nH+]c(C)c1 ZINC001215828568 815608480 /nfs/dbraw/zinc/60/84/80/815608480.db2.gz IWHANPAPYJZKOS-HOCLYGCPSA-N 1 1 287.407 3.377 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)F)[C@@H]2C1 ZINC001221223660 816306296 /nfs/dbraw/zinc/30/62/96/816306296.db2.gz FMNXPSKQBVPEPD-HUUCEWRRSA-N 1 1 298.446 3.238 20 30 CGEDMO C=CCCC(=O)N1C[C@H]2CC[N@H+](CCCC(C)(C)C)C[C@H]21 ZINC001221429156 816313143 /nfs/dbraw/zinc/31/31/43/816313143.db2.gz KFARLJIDASJAPV-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C(C)(C)C)[C@@H]2C1 ZINC001221646943 816322542 /nfs/dbraw/zinc/32/25/42/816322542.db2.gz OYPWQCUWDUCEFW-BZUAXINKSA-N 1 1 292.467 3.168 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](F)CC)[C@@H]2C1 ZINC001221738547 816324981 /nfs/dbraw/zinc/32/49/81/816324981.db2.gz LWUCBPRFROFHEZ-OWCLPIDISA-N 1 1 298.446 3.238 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3(CCC)CCC3)[C@@H]2C1 ZINC001221753785 816326050 /nfs/dbraw/zinc/32/60/50/816326050.db2.gz OEKGOXANLJHLOR-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)CC=C)[C@@H]2C1 ZINC001221838191 816329238 /nfs/dbraw/zinc/32/92/38/816329238.db2.gz XETPTCSXZRBVRR-HZPDHXFCSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)CCC)[C@@H]2C1 ZINC001221900767 816335329 /nfs/dbraw/zinc/33/53/29/816335329.db2.gz WXPPYPNPBGUGSO-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@H]2CC[N@H+](CCCC)[C@H]2C1 ZINC001222776562 816517306 /nfs/dbraw/zinc/51/73/06/816517306.db2.gz WRRSZVQSGBINOD-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@@H](O[C@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC001223310836 816601931 /nfs/dbraw/zinc/60/19/31/816601931.db2.gz QYIMYGCHEVJYIB-LSDHHAIUSA-N 1 1 254.333 3.142 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(CCC)CCC)C[C@@H]21 ZINC001223368489 816616739 /nfs/dbraw/zinc/61/67/39/816616739.db2.gz IGJMFFQQPPLKCV-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO CC[C@H](C)CO[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001224667083 816845996 /nfs/dbraw/zinc/84/59/96/816845996.db2.gz DQGMAOUBMJMCIX-YOEHRIQHSA-N 1 1 272.392 3.195 20 30 CGEDMO CC[C@H](C)CO[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001224667083 816846000 /nfs/dbraw/zinc/84/60/00/816846000.db2.gz DQGMAOUBMJMCIX-YOEHRIQHSA-N 1 1 272.392 3.195 20 30 CGEDMO CC(C)CCC[C@@H](C)CCO[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001224771330 816878097 /nfs/dbraw/zinc/87/80/97/816878097.db2.gz KDMMZMBMSPDPHY-OBRKIGFESA-N 1 1 295.467 3.468 20 30 CGEDMO CC(C)CCC[C@@H](C)CCO[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001224771330 816878102 /nfs/dbraw/zinc/87/81/02/816878102.db2.gz KDMMZMBMSPDPHY-OBRKIGFESA-N 1 1 295.467 3.468 20 30 CGEDMO CC(C)CCC[C@H](C)CCO[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001224771331 816878462 /nfs/dbraw/zinc/87/84/62/816878462.db2.gz KDMMZMBMSPDPHY-ZCVDQKGDSA-N 1 1 295.467 3.468 20 30 CGEDMO CC(C)CCC[C@H](C)CCO[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001224771331 816878471 /nfs/dbraw/zinc/87/84/71/816878471.db2.gz KDMMZMBMSPDPHY-ZCVDQKGDSA-N 1 1 295.467 3.468 20 30 CGEDMO C(#CC1CC1)CO[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC001224851142 816894534 /nfs/dbraw/zinc/89/45/34/816894534.db2.gz WKTGUQHGNQWCBP-VAMGGRTRSA-N 1 1 295.426 3.327 20 30 CGEDMO N#CC1(CO[C@@H]2CC[N@H+](Cc3ccccc3Cl)C2)CC1 ZINC001224949116 816915786 /nfs/dbraw/zinc/91/57/86/816915786.db2.gz XWBWKPQRPUFMGB-CQSZACIVSA-N 1 1 290.794 3.235 20 30 CGEDMO N#Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC001225815074 817186812 /nfs/dbraw/zinc/18/68/12/817186812.db2.gz ASAUJPDRVZBPTG-QGZVFWFLSA-N 1 1 296.345 3.351 20 30 CGEDMO C=CCc1ccc(O[C@H]2CCC[N@@H+](C)CC2)c(OC)c1 ZINC001227926594 817755888 /nfs/dbraw/zinc/75/58/88/817755888.db2.gz GQUCVBFBZKMYMM-HNNXBMFYSA-N 1 1 275.392 3.287 20 30 CGEDMO C=CCc1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(OC)c1 ZINC001227927224 817756993 /nfs/dbraw/zinc/75/69/93/817756993.db2.gz SPOMFJCWJAWHEW-ZSHCYNCHSA-N 1 1 287.403 3.428 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H](Oc2c(F)cc(C#N)cc2F)C1 ZINC001228081089 817804569 /nfs/dbraw/zinc/80/45/69/817804569.db2.gz WVRNAJXATLMOIH-LBPRGKRZSA-N 1 1 280.318 3.088 20 30 CGEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cccc3ccc(C#N)nc31)C2 ZINC001228411133 817900295 /nfs/dbraw/zinc/90/02/95/817900295.db2.gz KROIOWLILLRJKC-MUJYYYPQSA-N 1 1 293.370 3.110 20 30 CGEDMO CC(=O)/C=C/c1ccc(OC2CC[NH+](CCF)CC2)cc1 ZINC001228496946 817922470 /nfs/dbraw/zinc/92/24/70/817922470.db2.gz QKYGCLNANNTFGF-NSCUHMNNSA-N 1 1 291.366 3.102 20 30 CGEDMO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCCCC1 ZINC001231177363 818052730 /nfs/dbraw/zinc/05/27/30/818052730.db2.gz DFEJHLYAUMPVOJ-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C#CC[NH+](CC#C)Cc1ccc(-c2cccs2)cc1 ZINC001231431301 818099727 /nfs/dbraw/zinc/09/97/27/818099727.db2.gz RCPOTDKEBSSHCR-UHFFFAOYSA-N 1 1 265.381 3.484 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)c1 ZINC001231621963 818137820 /nfs/dbraw/zinc/13/78/20/818137820.db2.gz MYEDKAXPVHDNJS-SJLPKXTDSA-N 1 1 287.403 3.252 20 30 CGEDMO C#Cc1cccc(C[N@H+](C)Cc2cccc(OC)c2)c1 ZINC001231659859 818151611 /nfs/dbraw/zinc/15/16/11/818151611.db2.gz VADIVHUQDMVZAT-UHFFFAOYSA-N 1 1 265.356 3.309 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CCC[C@H](c3ccccn3)C2)c1 ZINC001231659760 818151701 /nfs/dbraw/zinc/15/17/01/818151701.db2.gz UTVNKTWTWKHIBX-SFHVURJKSA-N 1 1 276.383 3.443 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CCc3c(F)cccc3C2)c1 ZINC001231661407 818152349 /nfs/dbraw/zinc/15/23/49/818152349.db2.gz SUDPPCKIXBVUBD-UHFFFAOYSA-N 1 1 265.331 3.365 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CCc3c(F)cccc3C2)c1 ZINC001231661407 818152352 /nfs/dbraw/zinc/15/23/52/818152352.db2.gz SUDPPCKIXBVUBD-UHFFFAOYSA-N 1 1 265.331 3.365 20 30 CGEDMO C#Cc1cccc(C[N@H+]2Cc3ccc(OC)cc3C2)c1 ZINC001231659520 818152635 /nfs/dbraw/zinc/15/26/35/818152635.db2.gz ODMVNIVKXUZCSL-UHFFFAOYSA-N 1 1 263.340 3.192 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2Cc3ccc(OC)cc3C2)c1 ZINC001231659520 818152637 /nfs/dbraw/zinc/15/26/37/818152637.db2.gz ODMVNIVKXUZCSL-UHFFFAOYSA-N 1 1 263.340 3.192 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@H]3C[C@@H]32)cc1 ZINC001231821145 818184258 /nfs/dbraw/zinc/18/42/58/818184258.db2.gz QIENRCOWARLRMR-WBVHZDCISA-N 1 1 269.392 3.021 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2c[nH]c3c2cccc3OC)C1 ZINC001231899869 818206794 /nfs/dbraw/zinc/20/67/94/818206794.db2.gz WIJXCNPWDFZOPX-ZDUSSCGKSA-N 1 1 268.360 3.022 20 30 CGEDMO Cc1cc(F)ncc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC001231985927 818222962 /nfs/dbraw/zinc/22/29/62/818222962.db2.gz WALDPDADSUJLJH-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO Cc1cc(F)ncc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC001231985927 818222964 /nfs/dbraw/zinc/22/29/64/818222964.db2.gz WALDPDADSUJLJH-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO COc1cccc2[nH]cc(C[N@H+]3CCC[C@@H](CC#N)C3)c21 ZINC001232037465 818236957 /nfs/dbraw/zinc/23/69/57/818236957.db2.gz WUSUXTWIJJWKOK-ZDUSSCGKSA-N 1 1 283.375 3.302 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cccc(C(F)(F)F)n1 ZINC001232072097 818246885 /nfs/dbraw/zinc/24/68/85/818246885.db2.gz ZKCZLHCSMVXROY-UHFFFAOYSA-N 1 1 256.271 3.274 20 30 CGEDMO CCOc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)c(C)n1 ZINC001232312815 818312627 /nfs/dbraw/zinc/31/26/27/818312627.db2.gz ZDHMCSHHBXLMKC-UHFFFAOYSA-N 1 1 295.386 3.292 20 30 CGEDMO CSc1cc(C)c(C[N@H+]2CCC[C@H](C#N)CC2)cn1 ZINC001232349142 818325611 /nfs/dbraw/zinc/32/56/11/818325611.db2.gz YZXXCEFSBWLPOM-ZDUSSCGKSA-N 1 1 275.421 3.238 20 30 CGEDMO N#Cc1ccnc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC001232479664 818364463 /nfs/dbraw/zinc/36/44/63/818364463.db2.gz VAYDRGLACAUDOU-HNNXBMFYSA-N 1 1 281.334 3.082 20 30 CGEDMO COc1cccc([C@H]2CCC[N@@H+]2Cc2cc(C#N)ccn2)c1 ZINC001232477519 818364477 /nfs/dbraw/zinc/36/44/77/818364477.db2.gz BFAOUACPZIYHAO-GOSISDBHSA-N 1 1 293.370 3.299 20 30 CGEDMO COc1cccc([C@H]2CCC[N@H+]2Cc2cc(C#N)ccn2)c1 ZINC001232477519 818364482 /nfs/dbraw/zinc/36/44/82/818364482.db2.gz BFAOUACPZIYHAO-GOSISDBHSA-N 1 1 293.370 3.299 20 30 CGEDMO COc1ccc([C@@H](C)[N@@H+](C)Cc2cc(C#N)ccn2)cc1 ZINC001232479609 818364758 /nfs/dbraw/zinc/36/47/58/818364758.db2.gz UIDHNEUAZNDNMD-CYBMUJFWSA-N 1 1 281.359 3.155 20 30 CGEDMO C#CC[N@H+](Cc1cc(C#N)ccn1)[C@@H]1CCc2ccccc21 ZINC001232477483 818365243 /nfs/dbraw/zinc/36/52/43/818365243.db2.gz ALIROBCLLWZUIF-LJQANCHMSA-N 1 1 287.366 3.076 20 30 CGEDMO C#CC[N@@H+](Cc1cc(C#N)ccn1)[C@@H]1CCc2ccccc21 ZINC001232477483 818365248 /nfs/dbraw/zinc/36/52/48/818365248.db2.gz ALIROBCLLWZUIF-LJQANCHMSA-N 1 1 287.366 3.076 20 30 CGEDMO N#Cc1ccnc(C[N@@H+]2CCCC3(CC(F)C3)CC2)c1 ZINC001232480482 818365372 /nfs/dbraw/zinc/36/53/72/818365372.db2.gz YKMMWAXJFCRAQW-UHFFFAOYSA-N 1 1 273.355 3.057 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc2ccoc2cn1 ZINC001232549927 818383563 /nfs/dbraw/zinc/38/35/63/818383563.db2.gz CZBAOOVUNMFREO-UHFFFAOYSA-N 1 1 277.327 3.331 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc2ccoc2cn1 ZINC001232549927 818383567 /nfs/dbraw/zinc/38/35/67/818383567.db2.gz CZBAOOVUNMFREO-UHFFFAOYSA-N 1 1 277.327 3.331 20 30 CGEDMO N#Cc1ccc([O-])c(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)c1 ZINC001232677328 818417068 /nfs/dbraw/zinc/41/70/68/818417068.db2.gz AXIXLRZNZULFJB-ZBFHGGJFSA-N 1 1 270.376 3.418 20 30 CGEDMO N#Cc1ccc([O-])c(C[N@H+]2CCc3c(Cl)cccc3C2)c1 ZINC001232679088 818418139 /nfs/dbraw/zinc/41/81/39/818418139.db2.gz ZVURCJMBYONCTA-UHFFFAOYSA-N 1 1 298.773 3.476 20 30 CGEDMO N#Cc1ccc([O-])c(CN2CCc3c(Cl)cccc3C2)c1 ZINC001232679088 818418144 /nfs/dbraw/zinc/41/81/44/818418144.db2.gz ZVURCJMBYONCTA-UHFFFAOYSA-N 1 1 298.773 3.476 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1c[nH]c2c1cccc2C(=O)OC ZINC001232710365 818422341 /nfs/dbraw/zinc/42/23/41/818422341.db2.gz NWBFVCVEGZXDRE-UHFFFAOYSA-N 1 1 286.375 3.353 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2c[nH]c3cc(Cl)ncc23)CC1 ZINC001232822277 818448516 /nfs/dbraw/zinc/44/85/16/818448516.db2.gz LVVQGPNAZUTDQJ-LLVKDONJSA-N 1 1 288.782 3.342 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@@H](C#N)CC2)c(OC)cc1C ZINC001232832451 818452213 /nfs/dbraw/zinc/45/22/13/818452213.db2.gz KIPJZRUKLLAPSM-CQSZACIVSA-N 1 1 288.391 3.138 20 30 CGEDMO C[N@H+](CCC(=O)c1cccs1)Cc1ccc(C#N)s1 ZINC001232847549 818454256 /nfs/dbraw/zinc/45/42/56/818454256.db2.gz ZQHDNOVPVGSSMN-UHFFFAOYSA-N 1 1 290.413 3.386 20 30 CGEDMO C[N@@H+](CCC(=O)c1cccs1)Cc1ccc(C#N)s1 ZINC001232847549 818454260 /nfs/dbraw/zinc/45/42/60/818454260.db2.gz ZQHDNOVPVGSSMN-UHFFFAOYSA-N 1 1 290.413 3.386 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@H](c3cccnc3)C2)c(C#N)c1 ZINC001232965994 818484637 /nfs/dbraw/zinc/48/46/37/818484637.db2.gz CSMBTXFRTXRYQL-KRWDZBQOSA-N 1 1 277.371 3.251 20 30 CGEDMO Cc1ccc(C[N@H+](C)Cc2ccc3c(c2)OCO3)c(C#N)c1 ZINC001232967394 818486167 /nfs/dbraw/zinc/48/61/67/818486167.db2.gz KQUVYMJLABCDCZ-UHFFFAOYSA-N 1 1 294.354 3.227 20 30 CGEDMO Cc1ccc(C[N@@H+](C)Cc2ccc3c(c2)OCO3)c(C#N)c1 ZINC001232967394 818486168 /nfs/dbraw/zinc/48/61/68/818486168.db2.gz KQUVYMJLABCDCZ-UHFFFAOYSA-N 1 1 294.354 3.227 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3ccc(C4CC4)cc3)CCC2S1 ZINC001232982118 818490209 /nfs/dbraw/zinc/49/02/09/818490209.db2.gz PMBAPAWHKOIOSI-MRXNPFEDSA-N 1 1 285.412 3.338 20 30 CGEDMO Cc1ncc(F)cc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC001232992396 818495044 /nfs/dbraw/zinc/49/50/44/818495044.db2.gz KPLMNLPCNIRZHL-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO Cc1ncc(F)cc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC001232992396 818495048 /nfs/dbraw/zinc/49/50/48/818495048.db2.gz KPLMNLPCNIRZHL-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO CCCCCCC[N@@H+](C)Cc1cc(O)c(O)c(O)c1 ZINC001233011898 818500748 /nfs/dbraw/zinc/50/07/48/818500748.db2.gz HNQUQBYIOZWGNR-UHFFFAOYSA-N 1 1 267.369 3.206 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+](C)Cc1cccc2c1OCO2 ZINC001233083897 818520655 /nfs/dbraw/zinc/52/06/55/818520655.db2.gz HCGDBRBNBGSHJH-UHFFFAOYSA-N 1 1 294.354 3.227 20 30 CGEDMO CC(C)[C@H]1CCC[N@H+]1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233102830 818521264 /nfs/dbraw/zinc/52/12/64/818521264.db2.gz PBJCOWSIRZVNPS-OAHLLOKOSA-N 1 1 289.398 3.384 20 30 CGEDMO COC(C)(C)[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1C ZINC001233083050 818521342 /nfs/dbraw/zinc/52/13/42/818521342.db2.gz RIZRIIFWTAZRMX-MRXNPFEDSA-N 1 1 272.392 3.256 20 30 CGEDMO Cc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)cnc1C ZINC001233164409 818532110 /nfs/dbraw/zinc/53/21/10/818532110.db2.gz UEMCAXLVFJWMOG-UHFFFAOYSA-N 1 1 265.360 3.202 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(O)c2[nH]c(=O)ccc12 ZINC001233294719 818570165 /nfs/dbraw/zinc/57/01/65/818570165.db2.gz WNURHEHTEQDDCP-UHFFFAOYSA-N 1 1 272.348 3.044 20 30 CGEDMO C[N@@H+](Cc1nc2ccccc2o1)Cc1ccc(C#N)cc1[O-] ZINC001233387162 818606200 /nfs/dbraw/zinc/60/62/00/818606200.db2.gz XHKYPKQDXLZGFI-UHFFFAOYSA-N 1 1 293.326 3.037 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)C1CC1 ZINC001233531451 818634924 /nfs/dbraw/zinc/63/49/24/818634924.db2.gz ZFVBWYLMBZGAEQ-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](Oc2c(Cl)cccc2C#N)C1 ZINC001233547251 818637131 /nfs/dbraw/zinc/63/71/31/818637131.db2.gz HFIDANKNOFQXCB-LBPRGKRZSA-N 1 1 264.756 3.073 20 30 CGEDMO C=C[C@H](C#CC(C)(C)C)Oc1ccc2[nH+]ccn2c1 ZINC001233754193 818697837 /nfs/dbraw/zinc/69/78/37/818697837.db2.gz GLENRNMJTGYEAC-CYBMUJFWSA-N 1 1 254.333 3.317 20 30 CGEDMO CC(C)CCC[N@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234206384 818801155 /nfs/dbraw/zinc/80/11/55/818801155.db2.gz PCKITLZQIZADAY-MRXNPFEDSA-N 1 1 292.467 3.005 20 30 CGEDMO C[N@H+]1CCc2c(cccc2O[C@@H](C#N)c2cccc(F)c2)C1 ZINC001234425061 818853730 /nfs/dbraw/zinc/85/37/30/818853730.db2.gz UWBNUEDYMBJZFT-SFHVURJKSA-N 1 1 296.345 3.457 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCCC(C)(C)C ZINC001234478421 818863796 /nfs/dbraw/zinc/86/37/96/818863796.db2.gz PKSGVESIZPWBNS-MRXNPFEDSA-N 1 1 292.467 3.149 20 30 CGEDMO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)CCCCC(C)(C)C ZINC001234478421 818863801 /nfs/dbraw/zinc/86/38/01/818863801.db2.gz PKSGVESIZPWBNS-MRXNPFEDSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC(C)(C)CC(=O)N(C)C[C@@H]1CC[N@H+]1CC=C(C)C ZINC001234545958 818880219 /nfs/dbraw/zinc/88/02/19/818880219.db2.gz IZWKZTGWWOCRRV-HNNXBMFYSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CC(C)(C)CC(=O)N(C)C[C@H]1CC[N@@H+]1CCC(C)C ZINC001234563449 818882769 /nfs/dbraw/zinc/88/27/69/818882769.db2.gz QIHGLCPQPNUWKN-OAHLLOKOSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1CCCCCC ZINC001234624380 818895212 /nfs/dbraw/zinc/89/52/12/818895212.db2.gz BTLPMLZUWXEWDX-MRXNPFEDSA-N 1 1 280.456 3.456 20 30 CGEDMO C=CCCCCCCCN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235193500 819031615 /nfs/dbraw/zinc/03/16/15/819031615.db2.gz NKPQHXJVPUGNMV-HZPDHXFCSA-N 1 1 250.430 3.054 20 30 CGEDMO CCCCCCCCCCN1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001235264342 819057004 /nfs/dbraw/zinc/05/70/04/819057004.db2.gz WYXKOFYOAVXSLN-HOTGVXAUSA-N 1 1 252.446 3.421 20 30 CGEDMO C=CCCC(=O)NCCC[N@H+](C)CCCC1CCCC1 ZINC001235436749 819100359 /nfs/dbraw/zinc/10/03/59/819100359.db2.gz RSIITKFSTFGNPW-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C=CCCC(=O)NCCC[N@H+](C)[C@@H](C)c1cccc(C)c1 ZINC001235464586 819105761 /nfs/dbraw/zinc/10/57/61/819105761.db2.gz LIANFTYXZNKAMW-INIZCTEOSA-N 1 1 288.435 3.460 20 30 CGEDMO C[C@]1(F)CC[N@H+](Cc2ccccc2CC#N)C[C@@H]1F ZINC001235510421 819112591 /nfs/dbraw/zinc/11/25/91/819112591.db2.gz AXBRRTFCIZSWGA-GJZGRUSLSA-N 1 1 264.319 3.025 20 30 CGEDMO C[C@]1(F)CC[N@@H+](Cc2ccccc2CC#N)C[C@@H]1F ZINC001235510421 819112594 /nfs/dbraw/zinc/11/25/94/819112594.db2.gz AXBRRTFCIZSWGA-GJZGRUSLSA-N 1 1 264.319 3.025 20 30 CGEDMO N#CCc1ccccc1C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC001235522698 819114677 /nfs/dbraw/zinc/11/46/77/819114677.db2.gz INOQQJKPLNDMEF-LJQANCHMSA-N 1 1 292.382 3.406 20 30 CGEDMO N#CCc1ccccc1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC001235522232 819114822 /nfs/dbraw/zinc/11/48/22/819114822.db2.gz BAARXRMLZYQWDR-SFHVURJKSA-N 1 1 277.371 3.485 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C1(C2CC2)CC1 ZINC001235682311 819139471 /nfs/dbraw/zinc/13/94/71/819139471.db2.gz CFEQNBFZZLUHAX-GOEBONIOSA-N 1 1 290.451 3.064 20 30 CGEDMO CCOc1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)ccc1F ZINC001235803057 819170758 /nfs/dbraw/zinc/17/07/58/819170758.db2.gz IRQAZUXROLIFSC-QKDCVEJESA-N 1 1 288.366 3.491 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCN[C@@H](c3ccccc3)C2)cc1C#N ZINC001235855145 819186655 /nfs/dbraw/zinc/18/66/55/819186655.db2.gz SKRQGQORIRKFHW-LJQANCHMSA-N 1 1 291.398 3.013 20 30 CGEDMO Cc1ccc(C[N@H+]2CCN[C@@H](c3ccccc3)C2)cc1C#N ZINC001235855145 819186660 /nfs/dbraw/zinc/18/66/60/819186660.db2.gz SKRQGQORIRKFHW-LJQANCHMSA-N 1 1 291.398 3.013 20 30 CGEDMO CCCCCCC/C=C/C[N@@H+]1CCNC2(CC2)C1 ZINC001235931557 819229196 /nfs/dbraw/zinc/22/91/96/819229196.db2.gz BXQFXPONYKNKMX-CMDGGOBGSA-N 1 1 250.430 3.341 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CCNC2(CC2)C1 ZINC001235931557 819229202 /nfs/dbraw/zinc/22/92/02/819229202.db2.gz BXQFXPONYKNKMX-CMDGGOBGSA-N 1 1 250.430 3.341 20 30 CGEDMO C=CC[NH+](CC=C)Cc1ccc(OC)c(Cl)c1O ZINC001236812438 819604120 /nfs/dbraw/zinc/60/41/20/819604120.db2.gz VSUMWCHPUYSHPK-UHFFFAOYSA-N 1 1 267.756 3.228 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236833150 819611739 /nfs/dbraw/zinc/61/17/39/819611739.db2.gz ORVWDORCOUQMOD-AWEZNQCLSA-N 1 1 265.356 3.391 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cccc(-n2cncn2)c1 ZINC001236891548 819632372 /nfs/dbraw/zinc/63/23/72/819632372.db2.gz JNNLAAVOGKCHRH-UHFFFAOYSA-N 1 1 270.380 3.055 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237139109 819676114 /nfs/dbraw/zinc/67/61/14/819676114.db2.gz CUBZFGIBTHCYTH-LLVKDONJSA-N 1 1 283.293 3.256 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(C(F)F)c(OC)c2)C1 ZINC001237279045 819715368 /nfs/dbraw/zinc/71/53/68/819715368.db2.gz FVZGNGXGXFBQBB-LBPRGKRZSA-N 1 1 279.330 3.478 20 30 CGEDMO C=CC[N@H+](C)Cc1ccccc1NC(=O)C(C)(C)C ZINC001237399054 819744172 /nfs/dbraw/zinc/74/41/72/819744172.db2.gz LHKGOAKOZSAYPF-UHFFFAOYSA-N 1 1 260.381 3.289 20 30 CGEDMO Cn1cc(C[N@H+]2C[C@H]3CC[C@@H]2C3)c2cc(C#N)ccc21 ZINC001237473093 819759112 /nfs/dbraw/zinc/75/91/12/819759112.db2.gz DZOHZHAFOBPUEW-DZGCQCFKSA-N 1 1 265.360 3.034 20 30 CGEDMO CCC(CC)[N@@H+](C)Cc1cc(C#N)c(F)cc1F ZINC001237530013 819772682 /nfs/dbraw/zinc/77/26/82/819772682.db2.gz LKFOSRXHSSWIAF-UHFFFAOYSA-N 1 1 252.308 3.457 20 30 CGEDMO C[N@H+](Cc1cc(C#N)c(F)cc1F)CC1CCCC1 ZINC001237531306 819774288 /nfs/dbraw/zinc/77/42/88/819774288.db2.gz ZEHYKSWEWIKUJR-UHFFFAOYSA-N 1 1 264.319 3.458 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cccc3nccc(C)c23)C1 ZINC001237628366 819791756 /nfs/dbraw/zinc/79/17/56/819791756.db2.gz FOYQIFUXHZSAGD-HNNXBMFYSA-N 1 1 264.372 3.388 20 30 CGEDMO Cc1ccnc2cccc(C[N@H+]3CC[C@@](C)(C#N)C3)c12 ZINC001237637394 819795124 /nfs/dbraw/zinc/79/51/24/819795124.db2.gz TYCTXOGOSNAJCE-KRWDZBQOSA-N 1 1 265.360 3.279 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)c1 ZINC001237747463 819836444 /nfs/dbraw/zinc/83/64/44/819836444.db2.gz BYLARYFYBDTOJV-ZBFHGGJFSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)c1 ZINC001237747463 819836448 /nfs/dbraw/zinc/83/64/48/819836448.db2.gz BYLARYFYBDTOJV-ZBFHGGJFSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCCCO3)c(Cl)c1 ZINC001238083240 819928189 /nfs/dbraw/zinc/92/81/89/819928189.db2.gz PUGVOUXHKHTNLX-MRXNPFEDSA-N 1 1 290.794 3.357 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)ccc1Cl ZINC001238196461 819954526 /nfs/dbraw/zinc/95/45/26/819954526.db2.gz SAMFOIDFGTUQIC-CZUORRHYSA-N 1 1 290.794 3.213 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(Br)c(Cl)c1C ZINC001238217389 819960951 /nfs/dbraw/zinc/96/09/51/819960951.db2.gz BPEAHOGBBWYCIK-UHFFFAOYSA-N 1 1 286.600 3.476 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cnc(OC(C)C)c(C)c1 ZINC001238387440 819985526 /nfs/dbraw/zinc/98/55/26/819985526.db2.gz STWNAPVXHSBZCO-UHFFFAOYSA-N 1 1 260.381 3.351 20 30 CGEDMO CCc1cc(C[N@@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)ccc1C#N ZINC001238765642 820111587 /nfs/dbraw/zinc/11/15/87/820111587.db2.gz HANPSFLSSXLASJ-ROUUACIJSA-N 1 1 296.414 3.454 20 30 CGEDMO CCc1cc(C[N@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)ccc1C#N ZINC001238765642 820111590 /nfs/dbraw/zinc/11/15/90/820111590.db2.gz HANPSFLSSXLASJ-ROUUACIJSA-N 1 1 296.414 3.454 20 30 CGEDMO C[N@H+]1CC[C@H](c2ccc(-c3cnc(C#N)c(F)c3)cc2)C1 ZINC001238996075 820187572 /nfs/dbraw/zinc/18/75/72/820187572.db2.gz UEGDJZZEUKBAHP-AWEZNQCLSA-N 1 1 281.334 3.178 20 30 CGEDMO N#Cc1cnc(C2=CCC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC001240385743 821010155 /nfs/dbraw/zinc/01/01/55/821010155.db2.gz IJPGMDDKSLJSSS-UHFFFAOYSA-N 1 1 293.345 3.382 20 30 CGEDMO Cc1cccc(-c2ccccc2C[NH+]2CCOCC2)c1C#N ZINC001241989611 822258187 /nfs/dbraw/zinc/25/81/87/822258187.db2.gz XQSYTQRHQMXDKK-UHFFFAOYSA-N 1 1 292.382 3.366 20 30 CGEDMO Cc1cc(N)[nH+]cc1-c1ccc2ncccc2c1C#N ZINC001242096039 822349702 /nfs/dbraw/zinc/34/97/02/822349702.db2.gz WDPXMTNVIRVESN-UHFFFAOYSA-N 1 1 260.300 3.059 20 30 CGEDMO C#Cc1ccc(NCCCC[N@@H+]2CCCC[C@@H]2C)nc1 ZINC001339536594 936376226 /nfs/dbraw/zinc/37/62/26/936376226.db2.gz QYSQYCRRKIHIGZ-HNNXBMFYSA-N 1 1 271.408 3.129 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCOCC3(CCCC3)C2)CC1 ZINC001341138163 936429401 /nfs/dbraw/zinc/42/94/01/936429401.db2.gz LAKSJUQPZXOUAS-UHFFFAOYSA-N 1 1 276.424 3.209 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](CCO[C@@H](CC)c2ccccc2)C1 ZINC001349499693 936950579 /nfs/dbraw/zinc/95/05/79/936950579.db2.gz YUDGQXGYKAWUCH-ROUUACIJSA-N 1 1 289.419 3.431 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C(CC)CC)C1 ZINC001480377080 937048206 /nfs/dbraw/zinc/04/82/06/937048206.db2.gz RREWDZUDOPYBGZ-GOEBONIOSA-N 1 1 280.456 3.215 20 30 CGEDMO N#CCOc1ccc(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC001354238103 937095510 /nfs/dbraw/zinc/09/55/10/937095510.db2.gz VMNSMQMDELCCHY-SJORKVTESA-N 1 1 285.391 3.018 20 30 CGEDMO C#Cc1ccc(Nc2cc[nH+]cc2C(F)(F)F)cc1 ZINC001210114755 926708007 /nfs/dbraw/zinc/70/80/07/926708007.db2.gz MKDLEOLWYOZWGG-UHFFFAOYSA-N 1 1 262.234 3.247 20 30 CGEDMO CCC[C@@H](C)[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC001354529024 937104725 /nfs/dbraw/zinc/10/47/25/937104725.db2.gz SFYJXROOYKTDCW-GDBMZVCRSA-N 1 1 257.381 3.127 20 30 CGEDMO CCC[C@@H](C)[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC001354529024 937104726 /nfs/dbraw/zinc/10/47/26/937104726.db2.gz SFYJXROOYKTDCW-GDBMZVCRSA-N 1 1 257.381 3.127 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC001480899435 926761015 /nfs/dbraw/zinc/76/10/15/926761015.db2.gz MRYXNKPDRZZFFO-ZDUSSCGKSA-N 1 1 292.398 3.147 20 30 CGEDMO CCC[N@@H+](CCCC(C)C)CCNC(=O)C#CC(C)(C)C ZINC001493289182 926796062 /nfs/dbraw/zinc/79/60/62/926796062.db2.gz NPGKYZWXUVTIRN-UHFFFAOYSA-N 1 1 294.483 3.300 20 30 CGEDMO CC(C)O[C@H]1CC[N@H+](Cc2cc(C#N)ccc2Cl)C1 ZINC001140602794 926801092 /nfs/dbraw/zinc/80/10/92/926801092.db2.gz PPCJKQFIMDYTIF-AWEZNQCLSA-N 1 1 278.783 3.211 20 30 CGEDMO CC(C)O[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2Cl)C1 ZINC001140602794 926801107 /nfs/dbraw/zinc/80/11/07/926801107.db2.gz PPCJKQFIMDYTIF-AWEZNQCLSA-N 1 1 278.783 3.211 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)CCCCC2(C#N)CCC2)n1 ZINC001354723904 937111560 /nfs/dbraw/zinc/11/15/60/937111560.db2.gz CFTJTELGHSPUSG-UHFFFAOYSA-N 1 1 298.434 3.202 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)c1cc(Cl)ccc1C ZINC001481006051 926857034 /nfs/dbraw/zinc/85/70/34/926857034.db2.gz LLMUMFJXONWPHS-UHFFFAOYSA-N 1 1 294.826 3.276 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001481109918 926887927 /nfs/dbraw/zinc/88/79/27/926887927.db2.gz WEWMGSIWLWEQNL-MAUKXSAKSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)c1cccc(Cl)c1C ZINC001481138523 926894792 /nfs/dbraw/zinc/89/47/92/926894792.db2.gz DYYVZTROYAAGMY-UHFFFAOYSA-N 1 1 294.826 3.276 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)c1cc(C)ccc1C)C(C)C ZINC001481356974 926967100 /nfs/dbraw/zinc/96/71/00/926967100.db2.gz NQEAJBIJGPHRAY-UHFFFAOYSA-N 1 1 288.435 3.320 20 30 CGEDMO C=C(C)CCC(=O)NCC[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001481432929 926984472 /nfs/dbraw/zinc/98/44/72/926984472.db2.gz VOWWYRPTKHKEOL-QGZVFWFLSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCCCC(=O)NCC[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001481443681 926985426 /nfs/dbraw/zinc/98/54/26/926985426.db2.gz FBSCDQXDDZVKBD-KRWDZBQOSA-N 1 1 292.467 3.361 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](CCNC(=O)C(CC)(CC)CC)C1 ZINC001481460351 926990803 /nfs/dbraw/zinc/99/08/03/926990803.db2.gz OCSRXXLKKKBUTJ-INIZCTEOSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](CCNC(=O)C2(CC)CCCCC2)C1 ZINC001481462370 926991918 /nfs/dbraw/zinc/99/19/18/926991918.db2.gz RTSVKRQXRLMPFG-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CC[N@H+]1CC[C@H](CCNC(=O)c2cccc(C3CC3)c2)C1 ZINC001481463183 926992978 /nfs/dbraw/zinc/99/29/78/926992978.db2.gz YANUAESMTFHKEX-HNNXBMFYSA-N 1 1 298.430 3.192 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H](C[N@H+](C)CCC(C)C)C1 ZINC001481493614 927003813 /nfs/dbraw/zinc/00/38/13/927003813.db2.gz CMQXGQIAVPTEIP-OAHLLOKOSA-N 1 1 280.456 3.025 20 30 CGEDMO C#CC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@H](CC)CCCC)C1 ZINC001481493132 927004509 /nfs/dbraw/zinc/00/45/09/927004509.db2.gz SRXKOHPXSOVWCU-SJORKVTESA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)CCC)C1 ZINC001481499052 927005128 /nfs/dbraw/zinc/00/51/28/927005128.db2.gz UXUHSBVLKVDJJF-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H](NC(=O)C2(CC=C)CCC2)C1 ZINC001481528447 927017671 /nfs/dbraw/zinc/01/76/71/927017671.db2.gz OIQNVDQUODUYBU-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC(C)C ZINC001481663367 927049890 /nfs/dbraw/zinc/04/98/90/927049890.db2.gz GBNGLSYZEFAIBO-PMPSAXMXSA-N 1 1 278.440 3.062 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)C2CCCCCC2)C1 ZINC001481720495 927074010 /nfs/dbraw/zinc/07/40/10/927074010.db2.gz NXZIZDXBPJDFGF-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C#CCCCC(=O)N(C)[C@@H]1CC[N@H+](C[C@H](C)CC(C)C)C1 ZINC001481725083 927075649 /nfs/dbraw/zinc/07/56/49/927075649.db2.gz XBPOECSAUURAJR-IAGOWNOFSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)c1cscc1C ZINC001498254512 927132205 /nfs/dbraw/zinc/13/22/05/927132205.db2.gz LSWLFMYBEDFLFW-ZDUSSCGKSA-N 1 1 280.437 3.073 20 30 CGEDMO C=C(C)C[N@@H+](C)CCC1CCN(C(=O)C2CC=CC2)CC1 ZINC001482502723 927270955 /nfs/dbraw/zinc/27/09/55/927270955.db2.gz QGXPOXAPMBGYSH-UHFFFAOYSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)CCC(=C)C)CC[C@@H]21 ZINC001482659992 927340857 /nfs/dbraw/zinc/34/08/57/927340857.db2.gz UZTVFOOSISTSSP-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCCC)C1 ZINC001482659556 927341624 /nfs/dbraw/zinc/34/16/24/927341624.db2.gz OQUPTVUHWUYGBC-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)c1cc(F)cc(Cl)c1 ZINC001483388409 927496054 /nfs/dbraw/zinc/49/60/54/927496054.db2.gz LKWKEASAOJZIMY-NSHDSACASA-N 1 1 298.789 3.105 20 30 CGEDMO C/C=C(\C)C(=O)NC[C@H]1CC[N@@H+]1CCCCCCC ZINC001483641709 927558368 /nfs/dbraw/zinc/55/83/68/927558368.db2.gz PJWQZQOBBZCWTL-ZXZGFYSFSA-N 1 1 266.429 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)C1(C)CCCCC1 ZINC001483676091 927566762 /nfs/dbraw/zinc/56/67/62/927566762.db2.gz HWVRFCDKEGFJQJ-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCCC(=O)N1CCCC[C@H]1[C@H]1CC[N@H+](CC)C1 ZINC001483801686 927625932 /nfs/dbraw/zinc/62/59/32/927625932.db2.gz KXNIWHYMWGDSIL-HOTGVXAUSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCCC(=O)N1CC[C@@]2(CC[N@H+](C[C@@H](C)CC)C2)C1 ZINC001483846152 927635076 /nfs/dbraw/zinc/63/50/76/927635076.db2.gz UFCJBWIJNSGUGU-FUHWJXTLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)CCCCC(C)C)C1 ZINC001484065923 927669743 /nfs/dbraw/zinc/66/97/43/927669743.db2.gz QDMFIVNERHXGBI-KRWDZBQOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](CC)CCCCC)C1 ZINC001484070081 927670293 /nfs/dbraw/zinc/67/02/93/927670293.db2.gz BRHKHSNBLDFMFV-RDJZCZTQSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)[C@@]2(C)C=CCC2)C1 ZINC001484166563 927685942 /nfs/dbraw/zinc/68/59/42/927685942.db2.gz JSZPMIHGILETMD-MSOLQXFVSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CCC[N@@H+](CCCCCF)CC1 ZINC001484714876 927742242 /nfs/dbraw/zinc/74/22/42/927742242.db2.gz GSBTZGFBGGRJTM-MRXNPFEDSA-N 1 1 298.446 3.453 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](C/C=C\Cl)CC1 ZINC001484721249 927745346 /nfs/dbraw/zinc/74/53/46/927745346.db2.gz DUJBHKKKGRJPDE-LBIZBFCRSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)C1(C)CCCC1 ZINC001484751686 927751486 /nfs/dbraw/zinc/75/14/86/927751486.db2.gz AUYVAVPFWYGKNX-UHFFFAOYSA-N 1 1 286.847 3.100 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCN(C)C(=O)C1(C)CCCC1 ZINC001484751686 927751497 /nfs/dbraw/zinc/75/14/97/927751497.db2.gz AUYVAVPFWYGKNX-UHFFFAOYSA-N 1 1 286.847 3.100 20 30 CGEDMO C=CCCC[N@H+](C)CCCN(C)C(=O)C12CCC(CC1)C2 ZINC001484747364 927752240 /nfs/dbraw/zinc/75/22/40/927752240.db2.gz GYSBDHGAIGFDNO-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@H+](C)CCCN(C)C(=O)C[C@H](CC)C(C)(C)C ZINC001484764795 927752423 /nfs/dbraw/zinc/75/24/23/927752423.db2.gz ODBBZLOXECNPCF-HNNXBMFYSA-N 1 1 282.472 3.415 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC[C@]2(CC[N@H+](CCC)C2)C1 ZINC001484833169 927760489 /nfs/dbraw/zinc/76/04/89/927760489.db2.gz YDCCTCQMCQYCFX-FUHWJXTLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCC(C)C)C2 ZINC001484824605 927760897 /nfs/dbraw/zinc/76/08/97/927760897.db2.gz JDDBRGRFCLDQLI-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@@H+](CC2CCC2)[C@H](C)C1 ZINC001484971911 927777113 /nfs/dbraw/zinc/77/71/13/927777113.db2.gz JPKUDPCQHAZKLG-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C#CCCCCC(=O)N[C@H]1CC[N@@H+](CC=C(C)C)[C@@H](C)C1 ZINC001484974304 927781897 /nfs/dbraw/zinc/78/18/97/927781897.db2.gz RQTDTUNLEKBNTC-IRXDYDNUSA-N 1 1 290.451 3.115 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)CCC(=C)C ZINC001485065106 927795959 /nfs/dbraw/zinc/79/59/59/927795959.db2.gz GDRXNXXDQQPJMW-OAHLLOKOSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)C1=CCCC1 ZINC001485053817 927797193 /nfs/dbraw/zinc/79/71/93/927797193.db2.gz DENSDJSMSUDLCO-NVXWUHKLSA-N 1 1 290.451 3.374 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)CC[C@@H](C)CC ZINC001485072084 927803357 /nfs/dbraw/zinc/80/33/57/927803357.db2.gz BDVYQJHSTFTOPX-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)c1ccc(C)cc1 ZINC001485076226 927805154 /nfs/dbraw/zinc/80/51/54/927805154.db2.gz RUWLRMJLFAHGGJ-QGZVFWFLSA-N 1 1 286.419 3.108 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)C1=CCCCCC1 ZINC001485296126 927845616 /nfs/dbraw/zinc/84/56/16/927845616.db2.gz RTMJYDQNQFKPBP-HNNXBMFYSA-N 1 1 278.440 3.280 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)c1cccc(Cl)c1F ZINC001485346823 927854196 /nfs/dbraw/zinc/85/41/96/927854196.db2.gz XYAAZGRKCCXRHX-NSHDSACASA-N 1 1 298.789 3.105 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCCCC[N@H+]1CC1CCC1 ZINC001485474529 927875700 /nfs/dbraw/zinc/87/57/00/927875700.db2.gz CGTJGFOYHNIKSD-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)/C=C\C(C)(C)C)C1 ZINC001493997987 927890768 /nfs/dbraw/zinc/89/07/68/927890768.db2.gz SAVZISHHZKKSCF-CXSQMQJXSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)CCCC2CC2)C(C)(C)C1 ZINC001485573732 927891892 /nfs/dbraw/zinc/89/18/92/927891892.db2.gz GLWYGKDYKHTQFG-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC2(C1)CCC[N@@H+](CC(C)C)C2 ZINC001485664721 927898557 /nfs/dbraw/zinc/89/85/57/927898557.db2.gz LMFOHVSLKSCDGI-MRXNPFEDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@]2(NC(=O)CCC(=C)C)CCC[C@H]12 ZINC001486149823 927989203 /nfs/dbraw/zinc/98/92/03/927989203.db2.gz WKYGRGGLUTWGLZ-WMZOPIPTSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CCC[N@@H+](CCCF)[C@@H]1C ZINC001486172949 927993251 /nfs/dbraw/zinc/99/32/51/927993251.db2.gz AWZPBOYMHPDGIY-ZBFHGGJFSA-N 1 1 296.430 3.084 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)CCC)[C@@H]1C ZINC001486180398 927998256 /nfs/dbraw/zinc/99/82/56/927998256.db2.gz MLLUYBTZVGAVQE-GJZGRUSLSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)c1cccc(C)c1F)C(C)C ZINC001486370653 928011665 /nfs/dbraw/zinc/01/16/65/928011665.db2.gz ZDQZNYSINCIDKM-UHFFFAOYSA-N 1 1 292.398 3.103 20 30 CGEDMO CC(C)[C@H]1CCCCC[N@H+]1Cc1cc(C#N)ccn1 ZINC001307622252 928079602 /nfs/dbraw/zinc/07/96/02/928079602.db2.gz SFGMFUTWCZTJBG-MRXNPFEDSA-N 1 1 257.381 3.354 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCc2c(O)cccc2C1 ZINC001171204589 928200421 /nfs/dbraw/zinc/20/04/21/928200421.db2.gz ZIWNSMKDKPMUPQ-CQSZACIVSA-N 1 1 292.382 3.253 20 30 CGEDMO C#CC[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C(C)C ZINC001198027003 928269363 /nfs/dbraw/zinc/26/93/63/928269363.db2.gz MCRUBSBGQADQAA-UHFFFAOYSA-N 1 1 299.201 3.276 20 30 CGEDMO C#CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C(C)C ZINC001198027003 928269373 /nfs/dbraw/zinc/26/93/73/928269373.db2.gz MCRUBSBGQADQAA-UHFFFAOYSA-N 1 1 299.201 3.276 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[C@@H]([N@@H+](C)CC2CCC2)C1 ZINC001480733773 937236025 /nfs/dbraw/zinc/23/60/25/937236025.db2.gz SMEYLLNRAVUFOI-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@](C)(CC)CCC)[C@H]1CC ZINC001489139371 928317232 /nfs/dbraw/zinc/31/72/32/928317232.db2.gz OQIAPGGRKSVFFU-LZLYRXPVSA-N 1 1 292.467 3.195 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@@H+](CCF)CC(C)(C)C1 ZINC001489347638 928327966 /nfs/dbraw/zinc/32/79/66/928327966.db2.gz OYAZLBUBGZWLCD-CABCVRRESA-N 1 1 298.446 3.165 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)CC)CC(C)(C)C1 ZINC001489342503 928329336 /nfs/dbraw/zinc/32/93/36/928329336.db2.gz AWOSHKJEBCWHFV-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C#CCCCC(=O)N[C@H]1CC[N@H+](CCCC)CC(C)(C)C1 ZINC001489341367 928329363 /nfs/dbraw/zinc/32/93/63/928329363.db2.gz FMZLFBFAYXGKDQ-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC[N@H+](C)CCCNC(=O)[C@H](C)CCC(C)(C)C ZINC001490270283 928341400 /nfs/dbraw/zinc/34/14/00/928341400.db2.gz LDZZVJCDRFJYEO-CQSZACIVSA-N 1 1 268.445 3.073 20 30 CGEDMO CC#CC[N@@H+](CC)CCCNC(=O)C1CCCCCCC1 ZINC001490335765 928348542 /nfs/dbraw/zinc/34/85/42/928348542.db2.gz GGGYMJFMUGAMSQ-UHFFFAOYSA-N 1 1 292.467 3.198 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)C[C@@H]1CCCC[C@@H]1C)C1CC1 ZINC001490392931 928351430 /nfs/dbraw/zinc/35/14/30/928351430.db2.gz JYAIKQKWDOJNLB-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+](CC)CCCNC(=O)C1CCC(C2CC2)CC1 ZINC001490358479 928355239 /nfs/dbraw/zinc/35/52/39/928355239.db2.gz XBNAKNWKTBEUDK-UHFFFAOYSA-N 1 1 292.467 3.217 20 30 CGEDMO C#CCCCCC(=O)N[C@@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001490432873 928365221 /nfs/dbraw/zinc/36/52/21/928365221.db2.gz XANAJYGOFGQQDO-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC001490563357 928370470 /nfs/dbraw/zinc/37/04/70/928370470.db2.gz KUXLWQSWHLTLSW-JKSUJKDBSA-N 1 1 294.483 3.461 20 30 CGEDMO CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)CC(C)(C)CC)C1 ZINC001490757730 928385391 /nfs/dbraw/zinc/38/53/91/928385391.db2.gz BMXZTGKPKDPAEF-INIZCTEOSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H](C[N@@H+](C)C/C=C/Cl)C1 ZINC001490758559 928387317 /nfs/dbraw/zinc/38/73/17/928387317.db2.gz JJBXQWQWBCALKA-FUVBFXSKSA-N 1 1 298.858 3.266 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N(CCC)[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001317764383 928397749 /nfs/dbraw/zinc/39/77/49/928397749.db2.gz YYXPTQFEPMVCBO-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)C(C)(C)C1CCCC1 ZINC001492967015 937244655 /nfs/dbraw/zinc/24/46/55/937244655.db2.gz CMGBFUKBBZGYFQ-UHFFFAOYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCn1cnn(C[N@H+]2CCCC[C@H]2CC(C)C)c1=S ZINC001322499505 928512966 /nfs/dbraw/zinc/51/29/66/928512966.db2.gz AJQYQKFMNZTWIA-AWEZNQCLSA-N 1 1 294.468 3.458 20 30 CGEDMO C=CCn1cnn(C[N@@H+]2CCCC[C@H]2CC(C)C)c1=S ZINC001322499505 928512977 /nfs/dbraw/zinc/51/29/77/928512977.db2.gz AJQYQKFMNZTWIA-AWEZNQCLSA-N 1 1 294.468 3.458 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]2C[N@@H+](CCCC)CC[C@H]21 ZINC001490983437 928821415 /nfs/dbraw/zinc/82/14/15/928821415.db2.gz GBQDEGHNYLAEMW-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]2C[N@@H+](CCC3CC3)CC[C@H]21 ZINC001490982793 928821516 /nfs/dbraw/zinc/82/15/16/928821516.db2.gz DNQCEDTZOXKMRT-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C#CCCCCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC001490975808 928822414 /nfs/dbraw/zinc/82/24/14/928822414.db2.gz YOJNMWFXSGAPSY-ALOPSCKCSA-N 1 1 290.451 3.090 20 30 CGEDMO CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CCC)C(C)C ZINC001491226831 928848652 /nfs/dbraw/zinc/84/86/52/928848652.db2.gz XIHPNKOPDLAWOG-SJORKVTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2(C)CCCC2)C1 ZINC001491293537 928853766 /nfs/dbraw/zinc/85/37/66/928853766.db2.gz WNOMTLOQDKQRLZ-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@@H]1CCCN1C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001439848470 937322043 /nfs/dbraw/zinc/32/20/43/937322043.db2.gz SJYUYTVSTPBDQP-PBHICJAKSA-N 1 1 296.430 3.156 20 30 CGEDMO CCCCCCC[C@@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001441959119 937340214 /nfs/dbraw/zinc/34/02/14/937340214.db2.gz OPOOBTYKBXIZCQ-HZPDHXFCSA-N 1 1 282.472 3.441 20 30 CGEDMO Cc1cc(F)c(C#N)c(N(C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC001458208446 937455198 /nfs/dbraw/zinc/45/51/98/937455198.db2.gz VCHGQXPVPZHFLQ-CQSZACIVSA-N 1 1 289.398 3.316 20 30 CGEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001459424229 937488024 /nfs/dbraw/zinc/48/80/24/937488024.db2.gz PPTGWNUUIQCCKQ-CEXWTWQISA-N 1 1 298.430 3.443 20 30 CGEDMO C=CCOCC[N@H+](CCC)[C@H]1C[C@H](OCC)C1(C)C ZINC001459533025 937491124 /nfs/dbraw/zinc/49/11/24/937491124.db2.gz MXDYEFOLBKKSOT-GJZGRUSLSA-N 1 1 269.429 3.105 20 30 CGEDMO CC[C@@H](c1ccccc1)N1CC[NH+](CCCCC#N)CC1 ZINC001459592384 937492579 /nfs/dbraw/zinc/49/25/79/937492579.db2.gz ZGMKRIXDCUOADV-SFHVURJKSA-N 1 1 285.435 3.449 20 30 CGEDMO COC[C@@H](C[N@@H+](CCC#N)CCC(C)C)C(C)C ZINC001459610269 937493278 /nfs/dbraw/zinc/49/32/78/937493278.db2.gz PKFZHCZRNDXBDN-OAHLLOKOSA-N 1 1 254.418 3.167 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccc([Si](C)(C)C)cc2)C1 ZINC001459815158 937501515 /nfs/dbraw/zinc/50/15/15/937501515.db2.gz BJNLMCAOOIMPPU-INIZCTEOSA-N 1 1 289.495 3.009 20 30 CGEDMO CC(C)[C@@H]1CCCCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC001459830950 937502746 /nfs/dbraw/zinc/50/27/46/937502746.db2.gz NXMJZSYLELCCTO-ROUUACIJSA-N 1 1 286.419 3.492 20 30 CGEDMO C#CCOCC[N@H+](C)CCC1C[C@@H](C)C[C@H](C)C1 ZINC001459895115 937505063 /nfs/dbraw/zinc/50/50/63/937505063.db2.gz SULYJVANDIJKJU-GJZGRUSLSA-N 1 1 251.414 3.030 20 30 CGEDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001459958819 937507730 /nfs/dbraw/zinc/50/77/30/937507730.db2.gz CBKSTPSWAGFOEK-HSMVNMDESA-N 1 1 292.810 3.193 20 30 CGEDMO C=CC[N@@H+](CCOC)CCc1ccccc1Br ZINC001460045591 937512845 /nfs/dbraw/zinc/51/28/45/937512845.db2.gz HDTIWVBCVLFZJY-UHFFFAOYSA-N 1 1 298.224 3.126 20 30 CGEDMO C=CCCCC[N@@H+]1CCCC[C@H]1COC(=O)NC(C)C ZINC001460059401 937513935 /nfs/dbraw/zinc/51/39/35/937513935.db2.gz FGGNKPVDKXLQKE-HNNXBMFYSA-N 1 1 282.428 3.332 20 30 CGEDMO C=C/C=C\CC[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC001460188976 937519528 /nfs/dbraw/zinc/51/95/28/937519528.db2.gz WXZNJJVMHZUEQK-PLNGDYQASA-N 1 1 270.376 3.139 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(C)c(Cl)n2)C1 ZINC001460522148 937534044 /nfs/dbraw/zinc/53/40/44/937534044.db2.gz MNXKRVHXYIQHLY-GFCCVEGCSA-N 1 1 250.773 3.441 20 30 CGEDMO Cc1cc(C#N)ccc1CN1CC[N@@H+](C2CCCC2)[C@@H](C)C1 ZINC001460775555 937544940 /nfs/dbraw/zinc/54/49/40/937544940.db2.gz BBXQEEYFZKSGBP-INIZCTEOSA-N 1 1 297.446 3.315 20 30 CGEDMO CCCO[C@H]1CC[N@H+](Cc2cc(C#N)ccc2Cl)C1 ZINC001140600941 931959047 /nfs/dbraw/zinc/95/90/47/931959047.db2.gz BGIWNBZFUYQSQS-AWEZNQCLSA-N 1 1 278.783 3.213 20 30 CGEDMO CCCO[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2Cl)C1 ZINC001140600941 931959052 /nfs/dbraw/zinc/95/90/52/931959052.db2.gz BGIWNBZFUYQSQS-AWEZNQCLSA-N 1 1 278.783 3.213 20 30 CGEDMO CC(C)[N@H+]1CCN(Cc2cc(C#N)ccc2Cl)C[C@@H]1C ZINC001140603656 931959399 /nfs/dbraw/zinc/95/93/99/931959399.db2.gz XJESCOAQYZBSHS-ZDUSSCGKSA-N 1 1 291.826 3.126 20 30 CGEDMO N#Cc1cccc(C[NH+]2CC(c3cccnc3)C2)c1Cl ZINC001140809838 931964174 /nfs/dbraw/zinc/96/41/74/931964174.db2.gz JUCVZOGMPDVRAB-UHFFFAOYSA-N 1 1 283.762 3.206 20 30 CGEDMO C#CC[N@@H+](CCOCC1CC1)[C@H]1CCCc2ccccc21 ZINC001460823483 937547455 /nfs/dbraw/zinc/54/74/55/937547455.db2.gz BUCRGLAPKFOIRM-IBGZPJMESA-N 1 1 283.415 3.426 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCCCC[N@@H+]1C[C@@H](C)CC ZINC001329909041 932027923 /nfs/dbraw/zinc/02/79/23/932027923.db2.gz OQIZGMONLONPQB-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C[C@@H](C#CC(C)(C)C)Oc1ccc(C(=[NH2+])NO)c(F)c1 ZINC001229081892 932088475 /nfs/dbraw/zinc/08/84/75/932088475.db2.gz XIEXOXVTMBSPQT-NSHDSACASA-N 1 1 290.338 3.113 20 30 CGEDMO C=CCC(CC=C)Oc1ccc(C(=[NH2+])NO)c(F)c1 ZINC001229079003 932088504 /nfs/dbraw/zinc/08/85/04/932088504.db2.gz OGNIIIRAEXYEPY-UHFFFAOYSA-N 1 1 264.300 3.029 20 30 CGEDMO C#CC[N@H+](CCCc1ccc(F)c(F)c1)CC1CC1 ZINC001461929558 937607464 /nfs/dbraw/zinc/60/74/64/937607464.db2.gz WLENIEFWOQNXMP-UHFFFAOYSA-N 1 1 263.331 3.243 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)/C=C(\C)CC)CC1 ZINC001230557890 932588070 /nfs/dbraw/zinc/58/80/70/932588070.db2.gz SUCFFXCFLVQJNN-IAOULYHDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)F ZINC001230608788 932596324 /nfs/dbraw/zinc/59/63/24/932596324.db2.gz SHPJLHLACNZYFA-CQSZACIVSA-N 1 1 284.419 3.014 20 30 CGEDMO C#CC[N@H+](C/C=C/c1ccc(F)cc1F)CC1CC1 ZINC001254737471 932726276 /nfs/dbraw/zinc/72/62/76/932726276.db2.gz UQTCONJLUIZRFI-ONEGZZNKSA-N 1 1 261.315 3.323 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)C2CC3(CCC3)C2)C1 ZINC001491941959 932798767 /nfs/dbraw/zinc/79/87/67/932798767.db2.gz FNCHHZVCNPRTPA-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC1(CC(=O)NCC[N@H+](C)CCC2CC2)CCCCC1 ZINC001492454428 932816948 /nfs/dbraw/zinc/81/69/48/932816948.db2.gz WWZZGRCHMJQQFM-UHFFFAOYSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)C2(CC=C)CCCC2)C1 ZINC001317383931 932862218 /nfs/dbraw/zinc/86/22/18/932862218.db2.gz IWYUFULRPFSTQW-INIZCTEOSA-N 1 1 290.451 3.232 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC001462384614 937636862 /nfs/dbraw/zinc/63/68/62/937636862.db2.gz PYLMPFZHCXEVAU-UHFFFAOYSA-N 1 1 293.326 3.025 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC001462384614 937636864 /nfs/dbraw/zinc/63/68/64/937636864.db2.gz PYLMPFZHCXEVAU-UHFFFAOYSA-N 1 1 293.326 3.025 20 30 CGEDMO CC[N@H+](Cc1c(C)cc(C#N)cc1C)C[C@@H]1CCCO1 ZINC001307449091 932955124 /nfs/dbraw/zinc/95/51/24/932955124.db2.gz GUZOLVPDQSIJGC-INIZCTEOSA-N 1 1 272.392 3.176 20 30 CGEDMO CO[C@@]1(C)C[C@H]([N@@H+](C)CCc2ccc(C#N)cc2)C1(C)C ZINC001307494610 932960857 /nfs/dbraw/zinc/96/08/57/932960857.db2.gz VPPXZVZMCJGSHI-WMZOPIPTSA-N 1 1 286.419 3.236 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](CCc1ccccc1)C(=O)OCC ZINC001307688747 932986166 /nfs/dbraw/zinc/98/61/66/932986166.db2.gz QZBOHCNZAMPOCY-INIZCTEOSA-N 1 1 275.392 3.059 20 30 CGEDMO C=CCCCC[N@@H+]1C2CCC(CC2)[C@H]1C(=O)OCC ZINC001307791314 932999818 /nfs/dbraw/zinc/99/98/18/932999818.db2.gz FTTRRFJFOYANMQ-NRXISQOPSA-N 1 1 265.397 3.149 20 30 CGEDMO CCCCCCCC[N@H+]1CCCC[C@@H]1CS(C)(=O)=O ZINC001307784605 933000310 /nfs/dbraw/zinc/00/03/10/933000310.db2.gz QEKHNRKOWDHIDV-OAHLLOKOSA-N 1 1 289.485 3.246 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](CCCc2cccc(F)c2)C1 ZINC001307871818 933012415 /nfs/dbraw/zinc/01/24/15/933012415.db2.gz HHYNAXLNLWTXTK-MRXNPFEDSA-N 1 1 259.368 3.494 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCCC[C@@H]2[C@H]2CCCO2)cc1 ZINC001308158867 933061190 /nfs/dbraw/zinc/06/11/90/933061190.db2.gz FEWAZVOOLXGPCV-QZTJIDSGSA-N 1 1 284.403 3.134 20 30 CGEDMO C#CC[N@@H+](C)Cc1ccc(-c2ccccc2)cc1OC ZINC001462623863 937654837 /nfs/dbraw/zinc/65/48/37/937654837.db2.gz RQBVHJBSFACAQU-UHFFFAOYSA-N 1 1 265.356 3.427 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(-c2ccccc2)cc1OC ZINC001462623863 937654840 /nfs/dbraw/zinc/65/48/40/937654840.db2.gz RQBVHJBSFACAQU-UHFFFAOYSA-N 1 1 265.356 3.427 20 30 CGEDMO C=CCOc1cccc(C[NH2+]CCN(C(C)C)C(C)C)c1 ZINC001308176515 933066587 /nfs/dbraw/zinc/06/65/87/933066587.db2.gz KROZNTLPLHXDHP-UHFFFAOYSA-N 1 1 290.451 3.460 20 30 CGEDMO C[C@H](CC#N)[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC001308505998 933122283 /nfs/dbraw/zinc/12/22/83/933122283.db2.gz OXTGYPZWCXCVFW-MRVPVSSYSA-N 1 1 274.698 3.333 20 30 CGEDMO C[C@@H](Cc1ccsc1)[N@@H+](C)Cc1cccc(C#N)n1 ZINC001308595371 933139885 /nfs/dbraw/zinc/13/98/85/933139885.db2.gz RUTSXSKCCOTQIR-LBPRGKRZSA-N 1 1 271.389 3.078 20 30 CGEDMO C[N@H+](Cc1ccc(-c2cc[nH]n2)o1)Cc1cc(C#N)cs1 ZINC001308957481 933213452 /nfs/dbraw/zinc/21/34/52/933213452.db2.gz CKNJCKPHLZXWTJ-UHFFFAOYSA-N 1 1 298.371 3.235 20 30 CGEDMO C[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)Cc1cc(C#N)cs1 ZINC001308957481 933213456 /nfs/dbraw/zinc/21/34/56/933213456.db2.gz CKNJCKPHLZXWTJ-UHFFFAOYSA-N 1 1 298.371 3.235 20 30 CGEDMO C=C(C)CCC(=O)NCC[N@H+](CC)CC1=CCCCC1 ZINC001317479036 933246505 /nfs/dbraw/zinc/24/65/05/933246505.db2.gz HHLFJJFVAGDZMR-UHFFFAOYSA-N 1 1 278.440 3.281 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](CNC(=O)C2(CC)CCCCC2)C1 ZINC001317534701 933384229 /nfs/dbraw/zinc/38/42/29/933384229.db2.gz FBXFIHCZXXRVLZ-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCCNC(=O)c1sccc1C ZINC001316884074 933454532 /nfs/dbraw/zinc/45/45/32/933454532.db2.gz VSUVFIGEHQLJON-UHFFFAOYSA-N 1 1 294.464 3.465 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)CC2=CCCCC2)C1 ZINC001316974518 933462074 /nfs/dbraw/zinc/46/20/74/933462074.db2.gz RZZOYYJCVNERCF-WBVHZDCISA-N 1 1 290.451 3.422 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](CC)C(C)C)C[C@@H]2C1 ZINC001316758682 933477104 /nfs/dbraw/zinc/47/71/04/933477104.db2.gz LDBJPZGEKBWQFH-BBWFWOEESA-N 1 1 292.467 3.025 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H](F)CC)[C@H]1C ZINC001316787999 933479796 /nfs/dbraw/zinc/47/97/96/933479796.db2.gz MMNWPSYOENJVMF-ILXRZTDVSA-N 1 1 286.435 3.284 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)c1ccc(Cl)[nH]1 ZINC001316846910 933486769 /nfs/dbraw/zinc/48/67/69/933486769.db2.gz FFYNCGPQBAOJQZ-GFCCVEGCSA-N 1 1 297.830 3.075 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCCC[N@H+](C)C[C@@H](C)CC ZINC001316840568 933487157 /nfs/dbraw/zinc/48/71/57/933487157.db2.gz SGCKGPYYBPMWSH-AWEZNQCLSA-N 1 1 268.445 3.073 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)[C@H](C)[C@@H](C)C(C)(C)C)C1CC1 ZINC001316925502 933497315 /nfs/dbraw/zinc/49/73/15/933497315.db2.gz RNNRWEPTVBZVNT-HUUCEWRRSA-N 1 1 294.483 3.461 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)c2cc[nH]c2C)C1 ZINC001316974794 933505883 /nfs/dbraw/zinc/50/58/83/933505883.db2.gz VDAFCPMJOSWPPH-HNNXBMFYSA-N 1 1 291.439 3.098 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)C2(CCC)CCC2)C1 ZINC001316987307 933506612 /nfs/dbraw/zinc/50/66/12/933506612.db2.gz WMDDZBJAAXXHLS-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C)cc2C)C1 ZINC001316992921 933509187 /nfs/dbraw/zinc/50/91/87/933509187.db2.gz KDDCXNZESDJBSP-INIZCTEOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)CCC2CC2)C1 ZINC001317033979 933516845 /nfs/dbraw/zinc/51/68/45/933516845.db2.gz QZNLWXXZWZAYPX-KRWDZBQOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)CC=C ZINC001317049046 933520593 /nfs/dbraw/zinc/52/05/93/933520593.db2.gz PBEQGGFPSXDEPU-IYBDPMFKSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC1CC1 ZINC001317050593 933521161 /nfs/dbraw/zinc/52/11/61/933521161.db2.gz JOYNZGSFUFUTDG-CALCHBBNSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC1(C)C ZINC001317046116 933521920 /nfs/dbraw/zinc/52/19/20/933521920.db2.gz UYLMZSNASRYJMY-LVQVYYBASA-N 1 1 290.451 3.062 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)C=C(CC)CC)C1 ZINC001317131806 933536550 /nfs/dbraw/zinc/53/65/50/933536550.db2.gz DRWBFULDTRYKRY-INIZCTEOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)/C=C(\C)CC)C1 ZINC001317129780 933537665 /nfs/dbraw/zinc/53/76/65/933537665.db2.gz CDHHFJQOHIGUSJ-RBFDBLARSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1CCC[N@@H+](CC=C(C)C)C1 ZINC001317133110 933537836 /nfs/dbraw/zinc/53/78/36/933537836.db2.gz WFEMLHFGFYRTMB-INIZCTEOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@@H](C)CC)C1 ZINC001317141647 933541055 /nfs/dbraw/zinc/54/10/55/933541055.db2.gz ZYTXQKSETUBMKV-GJZGRUSLSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H]1C=CCCC1 ZINC001317171318 933544362 /nfs/dbraw/zinc/54/43/62/933544362.db2.gz ADZGUSGAUKNAPX-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCCC[N@H+]1CC(=C)C ZINC001317178331 933548224 /nfs/dbraw/zinc/54/82/24/933548224.db2.gz LNJNPUIGGTWQOT-RDJZCZTQSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CCCNC(=O)C1(C)CC1 ZINC001317425276 933590536 /nfs/dbraw/zinc/59/05/36/933590536.db2.gz ZLBICMDPQYXSTK-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)[C@@H](C)c1ccc(C)o1 ZINC001317489581 933601453 /nfs/dbraw/zinc/60/14/53/933601453.db2.gz LTZSLDXHZSKBPP-HNNXBMFYSA-N 1 1 292.423 3.096 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)C1CCCCC1 ZINC001317491159 933603224 /nfs/dbraw/zinc/60/32/24/933603224.db2.gz FACHSUZXDNOIGN-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001317525695 933610176 /nfs/dbraw/zinc/61/01/76/933610176.db2.gz AQXWCGDSYAUCDH-MRXNPFEDSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)CC2(C)CCCC2)C1 ZINC001317524018 933610351 /nfs/dbraw/zinc/61/03/51/933610351.db2.gz WTOHPYDLQSIIJE-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CCC)CCNC(=O)C#CC(C)(C)C ZINC001317541910 933614901 /nfs/dbraw/zinc/61/49/01/933614901.db2.gz HDAYRDFKOLUFGZ-MRXNPFEDSA-N 1 1 292.467 3.219 20 30 CGEDMO CC#CC[N@@H+](CCNC(=O)[C@@H](C)CCC(C)(C)C)C1CC1 ZINC001317558453 933619838 /nfs/dbraw/zinc/61/98/38/933619838.db2.gz IUQODAHIJBBYED-HNNXBMFYSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CCC)C(=O)C=C(C)C)C1 ZINC001317749327 933641631 /nfs/dbraw/zinc/64/16/31/933641631.db2.gz FQXDXITWOJOWRR-INIZCTEOSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCCC(=O)N(CCC)[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001317753279 933642605 /nfs/dbraw/zinc/64/26/05/933642605.db2.gz IQUYHRKSVFZWIL-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)CC(C)(C)CC)C1 ZINC001317757957 933643899 /nfs/dbraw/zinc/64/38/99/933643899.db2.gz BFYZGKUCKUUPGM-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)C2=CCCCCC2)C1 ZINC001317754102 933645283 /nfs/dbraw/zinc/64/52/83/933645283.db2.gz LQVCJJVCLZPSDG-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001317800481 933652104 /nfs/dbraw/zinc/65/21/04/933652104.db2.gz IJJURLZBZRJGFN-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001318349443 933711555 /nfs/dbraw/zinc/71/15/55/933711555.db2.gz KWCBCGDOYDCQJJ-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1CC[N@H+](CC/C=C\CC)C1 ZINC001318351172 933712459 /nfs/dbraw/zinc/71/24/59/933712459.db2.gz CHWLNLLINZQAMX-OSSRSAFMSA-N 1 1 278.440 3.136 20 30 CGEDMO C#CCCCCC(=O)N(C)[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001318401072 933719609 /nfs/dbraw/zinc/71/96/09/933719609.db2.gz ZCVVODVOYNQRLW-INIZCTEOSA-N 1 1 292.467 3.149 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)CCCC[C@H](C)CC)C1 ZINC001318407656 933720640 /nfs/dbraw/zinc/72/06/40/933720640.db2.gz SCYXBDCFYZFSRT-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC(C)(C)CC(=O)N(C)[C@H]1CC[N@H+](C[C@@H](C)CC)C1 ZINC001318406937 933721608 /nfs/dbraw/zinc/72/16/08/933721608.db2.gz LHOVMQJNUUKSFT-GJZGRUSLSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCn1cnn(C[N@H+]2CCC[C@H]2CCC(C)C)c1=S ZINC001319227308 933845375 /nfs/dbraw/zinc/84/53/75/933845375.db2.gz QSTWFTGBMPFUHM-AWEZNQCLSA-N 1 1 294.468 3.458 20 30 CGEDMO C=CCn1cnn(C[N@@H+]2CCC[C@H]2CCC(C)C)c1=S ZINC001319227308 933845381 /nfs/dbraw/zinc/84/53/81/933845381.db2.gz QSTWFTGBMPFUHM-AWEZNQCLSA-N 1 1 294.468 3.458 20 30 CGEDMO C=CC(C)(C)CCNC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC001467673428 937720748 /nfs/dbraw/zinc/72/07/48/937720748.db2.gz CABSWVCDEDDJNH-LSDHHAIUSA-N 1 1 295.471 3.151 20 30 CGEDMO CN(C)c1cccc(Cl)c1C[NH+]1CCC(C#N)CC1 ZINC001319934851 933960941 /nfs/dbraw/zinc/96/09/41/933960941.db2.gz MISDFIONHXVPTO-UHFFFAOYSA-N 1 1 277.799 3.142 20 30 CGEDMO C=CCCC(=O)N(C)CC[N@H+](C)[C@H](C)c1cccc(C)c1 ZINC001319982012 933971549 /nfs/dbraw/zinc/97/15/49/933971549.db2.gz XNHUNGTYHVPYLH-MRXNPFEDSA-N 1 1 288.435 3.412 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](CCOC2CCCCCC2)C1 ZINC001320036987 933984780 /nfs/dbraw/zinc/98/47/80/933984780.db2.gz AVSKHAAEZRAXER-MRXNPFEDSA-N 1 1 267.413 3.003 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+]([C@@H](C)c2nc3ccccc3o2)C1 ZINC001320037881 933984974 /nfs/dbraw/zinc/98/49/74/933984974.db2.gz KINJBUHHJYZFFZ-QWHCGFSZSA-N 1 1 272.348 3.166 20 30 CGEDMO C=CC[N@H+](C)CCN(C)C(=O)C(C)(C)C1CCCCC1 ZINC001320060464 933990930 /nfs/dbraw/zinc/99/09/30/933990930.db2.gz YHJDMWNIMOSDOQ-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@]1(C)C(C)C ZINC001320067800 933993282 /nfs/dbraw/zinc/99/32/82/933993282.db2.gz VSFJVAKURFOAOD-DOTOQJQBSA-N 1 1 280.456 3.025 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC001320378739 934038682 /nfs/dbraw/zinc/03/86/82/934038682.db2.gz XLSCMFDPUIZLMD-GVDBMIGSSA-N 1 1 257.377 3.067 20 30 CGEDMO N#CC1(c2ccccc2)CC(N[C@H]2CCCc3c[nH]nc32)C1 ZINC001320878037 934115094 /nfs/dbraw/zinc/11/50/94/934115094.db2.gz WBQGGSDGRWSMIT-PQUAAJSLSA-N 1 1 292.386 3.001 20 30 CGEDMO N#CC1(c2ccccc2)CC([NH2+][C@H]2CCCc3c[nH]nc32)C1 ZINC001320878037 934115097 /nfs/dbraw/zinc/11/50/97/934115097.db2.gz WBQGGSDGRWSMIT-PQUAAJSLSA-N 1 1 292.386 3.001 20 30 CGEDMO C#CC[N@@H+](Cc1nc(-c2ccccc2)oc1C)CC1CC1 ZINC001322947970 934351264 /nfs/dbraw/zinc/35/12/64/934351264.db2.gz AAWLMWSVMUNXSU-UHFFFAOYSA-N 1 1 280.371 3.495 20 30 CGEDMO C#CC[N@H+](Cc1nc(-c2ccccc2)oc1C)CC1CC1 ZINC001322947970 934351270 /nfs/dbraw/zinc/35/12/70/934351270.db2.gz AAWLMWSVMUNXSU-UHFFFAOYSA-N 1 1 280.371 3.495 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)CC1CCCC1 ZINC001323179397 934369953 /nfs/dbraw/zinc/36/99/53/934369953.db2.gz SMXKMDWQUTZDGK-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO COc1ccc(C[C@@H](C)[N@@H+](C)Cc2ccc(C#N)o2)cc1 ZINC001323302061 934382157 /nfs/dbraw/zinc/38/21/57/934382157.db2.gz AQMSTWDBWCZJGB-CYBMUJFWSA-N 1 1 284.359 3.223 20 30 CGEDMO C#CC[N@H+](Cc1cccc2cnccc21)CC1CC1 ZINC001323698599 934419002 /nfs/dbraw/zinc/41/90/02/934419002.db2.gz RVRBPCBKJJAJPT-UHFFFAOYSA-N 1 1 250.345 3.080 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cccn2CCC(C)C)C1 ZINC001323786631 934425115 /nfs/dbraw/zinc/42/51/15/934425115.db2.gz XJZQWXGVXZVANK-QGZVFWFLSA-N 1 1 276.424 3.311 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@](C)(F)CCCC)C2)C1 ZINC001323857546 934432811 /nfs/dbraw/zinc/43/28/11/934432811.db2.gz JJQXEMCTYFYTOT-DLBZAZTESA-N 1 1 296.430 3.015 20 30 CGEDMO C#CC[N@H+](Cc1c(O)ccc2ccccc21)CC1CC1 ZINC001324380640 934497038 /nfs/dbraw/zinc/49/70/38/934497038.db2.gz BEUFLQHOEWIHEL-UHFFFAOYSA-N 1 1 265.356 3.391 20 30 CGEDMO CC[C@H](C)[C@@H](C)[N@@H+](C[C@H](O)c1cccc(C#N)c1)C1CC1 ZINC001473155505 937794737 /nfs/dbraw/zinc/79/47/37/937794737.db2.gz CKYJRBKCWGRTHN-IYOUNJFTSA-N 1 1 286.419 3.491 20 30 CGEDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001473180612 937796041 /nfs/dbraw/zinc/79/60/41/937796041.db2.gz ZAGWHTHLXHXOFZ-WBAXXEDZSA-N 1 1 286.419 3.492 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H]1Cc2cc(OC)ccc2O1 ZINC001473434348 937806450 /nfs/dbraw/zinc/80/64/50/937806450.db2.gz VDCTWLBLVGXGLR-ZBFHGGJFSA-N 1 1 273.376 3.039 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1cc(C(=O)OC)ccc1OC ZINC001473434394 937806768 /nfs/dbraw/zinc/80/67/68/937806768.db2.gz XDQXRSCDMSVIFF-HNNXBMFYSA-N 1 1 289.375 3.022 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(C(=O)OC)ccc1OC ZINC001473434394 937806769 /nfs/dbraw/zinc/80/67/69/937806769.db2.gz XDQXRSCDMSVIFF-HNNXBMFYSA-N 1 1 289.375 3.022 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)C[C@H]1CCCC(C)(C)O1 ZINC001473453511 937807661 /nfs/dbraw/zinc/80/76/61/937807661.db2.gz GFEIZJBCZKUUDF-QGZVFWFLSA-N 1 1 271.404 3.470 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)/C=C(/C)CC)C1 ZINC001324937626 934873674 /nfs/dbraw/zinc/87/36/74/934873674.db2.gz YIXJKHFNBJGFIU-RCBBPTIPSA-N 1 1 298.858 3.314 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)/C=C(/C)CC)C1 ZINC001324937626 934873678 /nfs/dbraw/zinc/87/36/78/934873678.db2.gz YIXJKHFNBJGFIU-RCBBPTIPSA-N 1 1 298.858 3.314 20 30 CGEDMO C=C/C(C)=C\CC(=O)NC[C@@]1(C)CCC[N@H+](CC(=C)C)C1 ZINC001324956514 934876480 /nfs/dbraw/zinc/87/64/80/934876480.db2.gz CDVPJUTURHZIFC-CTJNPYBDSA-N 1 1 290.451 3.303 20 30 CGEDMO C#CCN(Cc1cccc(C[NH+]2CCCCC2)c1)C1CC1 ZINC001473481551 937808497 /nfs/dbraw/zinc/80/84/97/937808497.db2.gz CCJQAVPHCRTGAP-UHFFFAOYSA-N 1 1 282.431 3.270 20 30 CGEDMO C#CC[N@@H+](Cc1cc(-c2ccccc2)on1)CC1CC1 ZINC001325181009 934892112 /nfs/dbraw/zinc/89/21/12/934892112.db2.gz ISKZIBBZYZMJBV-UHFFFAOYSA-N 1 1 266.344 3.187 20 30 CGEDMO C#CC[N@H+](Cc1cc(-c2ccccc2)on1)CC1CC1 ZINC001325181009 934892117 /nfs/dbraw/zinc/89/21/17/934892117.db2.gz ISKZIBBZYZMJBV-UHFFFAOYSA-N 1 1 266.344 3.187 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)[C@H](C)CC)C[C@H]2C1 ZINC001325765809 934928336 /nfs/dbraw/zinc/92/83/36/934928336.db2.gz ATAMEBZEQNERCY-TWMKSMIVSA-N 1 1 292.467 3.025 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](C[C@@H](OC)C2CCCCC2)C1 ZINC001473581069 937812673 /nfs/dbraw/zinc/81/26/73/937812673.db2.gz HBOJXAZKSCAIGA-DOTOQJQBSA-N 1 1 263.425 3.317 20 30 CGEDMO C=C[C@@H](COC)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC001326283577 934966134 /nfs/dbraw/zinc/96/61/34/934966134.db2.gz PIWIIBBXBNZGHD-UWVGGRQHSA-N 1 1 289.297 3.263 20 30 CGEDMO C=CC[N@H+](C)Cc1ccccc1CNC(=O)c1coc(C)c1 ZINC001326449017 934981131 /nfs/dbraw/zinc/98/11/31/934981131.db2.gz DQPNKBJTKGVLAE-UHFFFAOYSA-N 1 1 298.386 3.136 20 30 CGEDMO C=CCC[N@H+]1CCc2c(CNC(=O)CC3CC3)cccc2C1 ZINC001326671064 934998368 /nfs/dbraw/zinc/99/83/68/934998368.db2.gz VBIBZSAHTFHMTH-UHFFFAOYSA-N 1 1 298.430 3.037 20 30 CGEDMO C#CC[N@H+](Cc1cc(-c2ccc(OC)cc2)no1)CC1CC1 ZINC001327538650 935068258 /nfs/dbraw/zinc/06/82/58/935068258.db2.gz UNQVYGUXNGOMLD-UHFFFAOYSA-N 1 1 296.370 3.195 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)C(C)(C)F)C(C)(C)C1 ZINC001328061530 935113408 /nfs/dbraw/zinc/11/34/08/935113408.db2.gz ORSWSXQOOZQSDO-KGLIPLIRSA-N 1 1 298.446 3.306 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)CCCC)C(C)(C)C1 ZINC001328080573 935115543 /nfs/dbraw/zinc/11/55/43/935115543.db2.gz GXRHVEFVKKULSR-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@@H+](CC(=C)C)CC1(C)C ZINC001328103036 935117279 /nfs/dbraw/zinc/11/72/79/935117279.db2.gz QPTLOFFIPOXDBY-CRAIPNDOSA-N 1 1 292.467 3.382 20 30 CGEDMO CC(C)C#CC(=O)N[C@@H]1CC[N@H+](CCCC(C)C)[C@@H](C)C1 ZINC001328239970 935127221 /nfs/dbraw/zinc/12/72/21/935127221.db2.gz NQFQCFANAVXLCH-DLBZAZTESA-N 1 1 292.467 3.051 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)CCCCCC(C)C)C[C@@H]1C ZINC001328279508 935127932 /nfs/dbraw/zinc/12/79/32/935127932.db2.gz OQZQZWDFIKNLFG-DLBZAZTESA-N 1 1 292.467 3.195 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]1C[N@@H+](C)CCC1CC1 ZINC001328738839 935163909 /nfs/dbraw/zinc/16/39/09/935163909.db2.gz ZZOQYBNNENHHPJ-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)C1(C2CC2)CC1 ZINC001328734073 935164370 /nfs/dbraw/zinc/16/43/70/935164370.db2.gz VENQKNIAPJMGFI-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[C@H]1C[N@@H+](C)CC(C)C ZINC001328752318 935166697 /nfs/dbraw/zinc/16/66/97/935166697.db2.gz HORRQTLZBKFTBD-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO N#CC1(Cc2nc([C@@H]([NH3+])c3ccccc3)no2)CCCCC1 ZINC001329342560 935206978 /nfs/dbraw/zinc/20/69/78/935206978.db2.gz AGOCOKORUZWAHP-HNNXBMFYSA-N 1 1 296.374 3.134 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)C(CC)CC ZINC001329473997 935219325 /nfs/dbraw/zinc/21/93/25/935219325.db2.gz GVKXQTUANSANOO-UONOGXRCSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CC[N@H+]1CCCCC[C@H]1CNC(=O)C[C@H]1C=CCCC1 ZINC001329924572 935255240 /nfs/dbraw/zinc/25/52/40/935255240.db2.gz XHRUUOVUHDMKFR-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](C)CC)CC1(C)C ZINC001330204735 935276914 /nfs/dbraw/zinc/27/69/14/935276914.db2.gz WFUKASYFCAQNFH-LSDHHAIUSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CC2CC(C)C2)CC1(C)C ZINC001330219725 935277632 /nfs/dbraw/zinc/27/76/32/935277632.db2.gz DUJVAKKDFPQSBY-YMAMQOFZSA-N 1 1 292.467 3.071 20 30 CGEDMO N#CCc1cccc(NC[C@@H]2CC[N@H+]2C2CCCCCC2)n1 ZINC001331961378 935426987 /nfs/dbraw/zinc/42/69/87/935426987.db2.gz OJOUHDAQDIOZLB-KRWDZBQOSA-N 1 1 298.434 3.357 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)CCCCC)CCC[C@@H]12 ZINC001332072093 935437118 /nfs/dbraw/zinc/43/71/18/935437118.db2.gz VUIKCXFEZSMUQZ-ZBFHGGJFSA-N 1 1 298.858 3.432 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)CCCCC)CCC[C@@H]12 ZINC001332072093 935437119 /nfs/dbraw/zinc/43/71/19/935437119.db2.gz VUIKCXFEZSMUQZ-ZBFHGGJFSA-N 1 1 298.858 3.432 20 30 CGEDMO CC[C@@H]([NH2+]Cc1cncc(C#N)c1)c1cc(F)ccc1F ZINC001332700726 935483483 /nfs/dbraw/zinc/48/34/83/935483483.db2.gz OKAPWOQGCPWGIP-MRXNPFEDSA-N 1 1 287.313 3.472 20 30 CGEDMO C#CCC[N@H+](C)CCN(C(=O)[C@@H]1CCCC[C@@H]1C)C(C)C ZINC001332724660 935485352 /nfs/dbraw/zinc/48/53/52/935485352.db2.gz UMRVOFRDVUISPM-DLBZAZTESA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@@H](C)C2CCC2)CC1 ZINC001333355162 935529325 /nfs/dbraw/zinc/52/93/25/935529325.db2.gz YBHNWMKWPVCYDW-HNNXBMFYSA-N 1 1 290.451 3.137 20 30 CGEDMO C[C@@H]1CC[N@@H+](CC2CCC(C#N)CC2)CCS1 ZINC001333484931 935540230 /nfs/dbraw/zinc/54/02/30/935540230.db2.gz SFJPFVJTFUUWJT-IYXRBSQSSA-N 1 1 252.427 3.144 20 30 CGEDMO C=CC1(CC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCCC1 ZINC001334106776 936085596 /nfs/dbraw/zinc/08/55/96/936085596.db2.gz ZVPIPXFBCMOQQY-CVEARBPZSA-N 1 1 290.451 3.256 20 30 CGEDMO CC(C)(O)C[N@@H+](CCCCC1(C#N)CCC1)C1CC1 ZINC001334807918 936116281 /nfs/dbraw/zinc/11/62/81/936116281.db2.gz GLMYITRQXZYJLG-UHFFFAOYSA-N 1 1 264.413 3.086 20 30 CGEDMO CC[N@@H+](CCCNC[C@@H](C#N)CCC#N)C1CCCCC1 ZINC001335318463 936139219 /nfs/dbraw/zinc/13/92/19/936139219.db2.gz VJCXAJQRSPLYPM-MRXNPFEDSA-N 1 1 290.455 3.064 20 30 CGEDMO CCCCCCC[N@@H+](CC(=O)NC)Cc1ccccc1 ZINC001473735639 937819831 /nfs/dbraw/zinc/81/98/31/937819831.db2.gz GVAQWOGOJSPSJU-UHFFFAOYSA-N 1 1 276.424 3.205 20 30 CGEDMO C#CC[N@H+](C[C@@H](CC)OC)[C@H]1CCCc2ccccc21 ZINC001473825710 937823393 /nfs/dbraw/zinc/82/33/93/937823393.db2.gz CUQFNATYZCSVQT-AEFFLSMTSA-N 1 1 271.404 3.424 20 30 CGEDMO C#CC[N@H+](CCCOC)[C@@H]1CCCc2ccccc21 ZINC001473827479 937823563 /nfs/dbraw/zinc/82/35/63/937823563.db2.gz ZXRWSWWNIAMGES-QGZVFWFLSA-N 1 1 257.377 3.036 20 30 CGEDMO C=C(Br)C[N@H+]1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1 ZINC001473840549 937824310 /nfs/dbraw/zinc/82/43/10/937824310.db2.gz ASKHILQEKCMFOP-QNWHQSFQSA-N 1 1 270.214 3.263 20 30 CGEDMO N#Cc1c(N)sc2c1CC[N@H+](CCC1=CCCCC1)C2 ZINC001473858569 937825178 /nfs/dbraw/zinc/82/51/78/937825178.db2.gz SFNVYTPHAPDNGB-UHFFFAOYSA-N 1 1 287.432 3.451 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(OC)cc1 ZINC001473857453 937825353 /nfs/dbraw/zinc/82/53/53/937825353.db2.gz SKGODOBAPFWYLI-HNNXBMFYSA-N 1 1 288.391 3.064 20 30 CGEDMO C=CCCC[N@H+](CC)C[C@@H]1CCC[C@@]2(CCOC2)O1 ZINC001473861764 937825714 /nfs/dbraw/zinc/82/57/14/937825714.db2.gz KKBQVZYCTMOZFX-HOTGVXAUSA-N 1 1 267.413 3.003 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](N2CCCC2)C[C@H]1C(C)C ZINC001473877619 937826566 /nfs/dbraw/zinc/82/65/66/937826566.db2.gz WCBHEWLSLLSKFE-CVEARBPZSA-N 1 1 250.430 3.147 20 30 CGEDMO N#Cc1cccc([C@@H](O)C[N@H+]2CC=CC23CCCCC3)c1 ZINC001473900267 937828306 /nfs/dbraw/zinc/82/83/06/937828306.db2.gz UZNZZKQVQRUCMB-KRWDZBQOSA-N 1 1 282.387 3.166 20 30 CGEDMO C=CCOc1cccc(CNCC2([NH+](C)C)CCCC2)c1 ZINC001473915772 937830079 /nfs/dbraw/zinc/83/00/79/937830079.db2.gz JIUFDVJQFCHNCE-UHFFFAOYSA-N 1 1 288.435 3.215 20 30 CGEDMO C#Cc1ccc(CNC[C@H](C2CCCCC2)[NH+](C)C)cc1 ZINC001473936042 937831495 /nfs/dbraw/zinc/83/14/95/937831495.db2.gz JYGACTQNSXXXDU-LJQANCHMSA-N 1 1 284.447 3.268 20 30 CGEDMO Cn1c2ccccc2[nH+]c1NCc1csc(C#N)c1 ZINC001474249233 937846212 /nfs/dbraw/zinc/84/62/12/937846212.db2.gz WGMLGPLUWVQGJS-UHFFFAOYSA-N 1 1 268.345 3.119 20 30 CGEDMO C#CCC[N@H+](CCCc1c(F)cccc1Cl)CCOC ZINC001474643286 937872276 /nfs/dbraw/zinc/87/22/76/937872276.db2.gz PCXAKUNEXZVLFV-UHFFFAOYSA-N 1 1 297.801 3.383 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)c2cc[nH]c2)[C@H]1C ZINC001479707217 937924318 /nfs/dbraw/zinc/92/43/18/937924318.db2.gz SKOJCYZSTJRNKB-ZBFHGGJFSA-N 1 1 291.439 3.178 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[N@H+](CC2CC(C)C2)[C@@H]1C ZINC001479707931 937924431 /nfs/dbraw/zinc/92/44/31/937924431.db2.gz QQJSVHJWTURNRM-KNIAUWFNSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CCCC[N@@H+](C)CCCNC(=O)c1cccc2cc[nH]c21 ZINC001479798583 937925946 /nfs/dbraw/zinc/92/59/46/937925946.db2.gz ZLYDTSPXRNOWSS-UHFFFAOYSA-N 1 1 299.418 3.186 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC001479805879 937926519 /nfs/dbraw/zinc/92/65/19/937926519.db2.gz MOQOOAKWJAPEOR-LSDHHAIUSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC001479805879 937926520 /nfs/dbraw/zinc/92/65/20/937926520.db2.gz MOQOOAKWJAPEOR-LSDHHAIUSA-N 1 1 298.858 3.003 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)c1csc(Cl)c1)C1CC1 ZINC001479877742 937928059 /nfs/dbraw/zinc/92/80/59/937928059.db2.gz ZYHIFIIGXOQECY-UHFFFAOYSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H](CCCC)C(C)C)C1 ZINC001479914952 937928714 /nfs/dbraw/zinc/92/87/14/937928714.db2.gz AUHDTMFWYAFJSD-JKSUJKDBSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC1(CC(=O)N[C@H]2CC[N@H+](CCC)C2)CCCCC1 ZINC001479965673 937930171 /nfs/dbraw/zinc/93/01/71/937930171.db2.gz KHNFWLYLQFIHJV-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](CC)CC(C)C)C1 ZINC001480088962 937932235 /nfs/dbraw/zinc/93/22/35/937932235.db2.gz NPHQGIOFZRCHKO-IRXDYDNUSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)C(C)C)C1 ZINC001480266783 937935323 /nfs/dbraw/zinc/93/53/23/937935323.db2.gz YMINHCGVRHIJCK-JKSUJKDBSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CC=CC2)C1 ZINC001480379735 937937468 /nfs/dbraw/zinc/93/74/68/937937468.db2.gz ZKTYHCVVSJYQMU-WBVHZDCISA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC1(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C(C)C)C2)CCC1 ZINC001480385541 937938072 /nfs/dbraw/zinc/93/80/72/937938072.db2.gz ZVCGGEQWHKEZBJ-CVEARBPZSA-N 1 1 292.467 3.358 20 30 CGEDMO C#CCC[N@H+](C)[C@H]1CCCN(C(=O)C[C@H](CC)C(C)C)C1 ZINC001480737878 937943118 /nfs/dbraw/zinc/94/31/18/937943118.db2.gz AYMPWLARSDHZHH-IRXDYDNUSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)C[C@@H](C)SC ZINC001480820012 937944968 /nfs/dbraw/zinc/94/49/68/937944968.db2.gz DYSSVKQPLQSQNH-CABCVRRESA-N 1 1 298.496 3.065 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H]1CCCNC(=O)c1ccoc1 ZINC001480817299 937945235 /nfs/dbraw/zinc/94/52/35/937945235.db2.gz LPPRXCLYXYAJNI-MRXNPFEDSA-N 1 1 290.407 3.220 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](CNC(=O)CC(C)(C)C)C1 ZINC001493171426 937947943 /nfs/dbraw/zinc/94/79/43/937947943.db2.gz ALEVXZFPXCECLG-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)C(C)(C)C)C1 ZINC001493214538 937948369 /nfs/dbraw/zinc/94/83/69/937948369.db2.gz YRNXTVYVQBPOON-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H]1CC[N@@H+](CCCC(C)C)C1 ZINC001493232479 937948755 /nfs/dbraw/zinc/94/87/55/937948755.db2.gz FFULMXYFUUABFT-FUHWJXTLSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001493240838 937948900 /nfs/dbraw/zinc/94/89/00/937948900.db2.gz WEUPICGWVBUGTA-GVDBMIGSSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](CNC(=O)C(CC(C)C)CC(C)C)C1 ZINC001493267813 937949156 /nfs/dbraw/zinc/94/91/56/937949156.db2.gz SETPRXMGSBQZPP-MRXNPFEDSA-N 1 1 294.483 3.319 20 30 CGEDMO C#CCCCC(=O)N(CCC)[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC001493949185 937952417 /nfs/dbraw/zinc/95/24/17/937952417.db2.gz UFKCICWFGJHOQW-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO CCCCCCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)C)C1 ZINC001494113716 937953279 /nfs/dbraw/zinc/95/32/79/937953279.db2.gz NDCMCOIGCPUEJP-INIZCTEOSA-N 1 1 282.472 3.393 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@@H](C[N@@H+](C)CC2CCC2)C1 ZINC001494134988 937953283 /nfs/dbraw/zinc/95/32/83/937953283.db2.gz KNLVFGWXJXXJCX-INIZCTEOSA-N 1 1 292.467 3.169 20 30 CGEDMO CCCCCCC[N@@H+](C)C[C@H]1CCN(C(=O)C(C)C)C1 ZINC001494113717 937953361 /nfs/dbraw/zinc/95/33/61/937953361.db2.gz NDCMCOIGCPUEJP-MRXNPFEDSA-N 1 1 282.472 3.393 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)C2CCC=CCC2)C1 ZINC001494179890 937953809 /nfs/dbraw/zinc/95/38/09/937953809.db2.gz GKUCAFWYFMWOKP-MRXNPFEDSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@@H](C)CCC)CC1 ZINC001494191148 937954073 /nfs/dbraw/zinc/95/40/73/937954073.db2.gz OLLVRLNORZUPOR-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)CC(C)(C)C)C1 ZINC001494304726 937954304 /nfs/dbraw/zinc/95/43/04/937954304.db2.gz JNOQNWIHDMWYDE-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CCC)CC(C)C ZINC001494685461 937955719 /nfs/dbraw/zinc/95/57/19/937955719.db2.gz MTKBSGYFYICBLH-ULQDDVLXSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)c2ccoc2CCC)C1 ZINC001494730659 937956120 /nfs/dbraw/zinc/95/61/20/937956120.db2.gz UYJUPQXAUSAAIT-AWEZNQCLSA-N 1 1 290.407 3.002 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1CC[N@H+](CC(CC)CC)C1 ZINC001494767521 937956253 /nfs/dbraw/zinc/95/62/53/937956253.db2.gz RAOVNYKTKSZNNV-GDBMZVCRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)CCC2CC2)C1 ZINC001494890144 937956896 /nfs/dbraw/zinc/95/68/96/937956896.db2.gz NWZBKZKHTGBZLX-DOTOQJQBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)/C=C\C(C)(C)C)CC[C@H]21 ZINC001496860041 937964604 /nfs/dbraw/zinc/96/46/04/937964604.db2.gz SMQHTZSEYWSYOB-LWALAHDXSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)c1cccc(C)c1F ZINC001498292721 937968940 /nfs/dbraw/zinc/96/89/40/937968940.db2.gz DFJLAPNVWWJGHZ-AWEZNQCLSA-N 1 1 292.398 3.150 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)c1ccoc1C(C)C ZINC001498464595 937969947 /nfs/dbraw/zinc/96/99/47/937969947.db2.gz IXSYXFQJGLQMBX-CQSZACIVSA-N 1 1 292.423 3.419 20 30 CGEDMO C=C(C)C[N@H+](CC1CC1)C1CCN(C(=O)/C(C)=C\C)CC1 ZINC001499526341 937973825 /nfs/dbraw/zinc/97/38/25/937973825.db2.gz SEYNWHWKVVHTEO-WCSRMQSCSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H](C)c2cccs2)C1 ZINC001500258538 937976623 /nfs/dbraw/zinc/97/66/23/937976623.db2.gz UPJOHRQEBXPFOE-CZUORRHYSA-N 1 1 292.448 3.008 20 30 CGEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C)CCCC)C2 ZINC001501164118 937978920 /nfs/dbraw/zinc/97/89/20/937978920.db2.gz UBLLAMLFCZSHHJ-NXOAAHMSSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC1(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CCC)CCC1 ZINC001501399711 937979467 /nfs/dbraw/zinc/97/94/67/937979467.db2.gz KHBQCNCUNTZVPL-HOTGVXAUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@@H](CC)C(C)C)[C@@H]2C1 ZINC001501427599 937979523 /nfs/dbraw/zinc/97/95/23/937979523.db2.gz UJJXNXNBRQFEHH-IXDOHACOSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)CCC)CC1 ZINC001502116769 937981343 /nfs/dbraw/zinc/98/13/43/937981343.db2.gz OMFPSXCTGKXSIM-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)CCC)CC1 ZINC001502116768 937981401 /nfs/dbraw/zinc/98/14/01/937981401.db2.gz OMFPSXCTGKXSIM-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO CN(CCC[N@@H+](C)CCC(C)(C)C)C(=O)C#CC(C)(C)C ZINC001502192916 937981854 /nfs/dbraw/zinc/98/18/54/937981854.db2.gz JWUNDZJBMSBDJF-UHFFFAOYSA-N 1 1 294.483 3.252 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCN(C)C(=O)c1cc[nH]c1C ZINC001502171785 937982006 /nfs/dbraw/zinc/98/20/06/937982006.db2.gz JVGOCPIBXCVFPL-CQSZACIVSA-N 1 1 291.439 3.072 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@]2(C1)CCCN(C(C)=O)C2 ZINC001502537970 937982686 /nfs/dbraw/zinc/98/26/86/937982686.db2.gz FEJYGIHVIPKUJZ-QGZVFWFLSA-N 1 1 280.456 3.291 20 30 CGEDMO CCCC[N@H+]1CC[C@@H](NC(=O)C#CC(C)(C)C)C(C)(C)C1 ZINC001502827324 937983334 /nfs/dbraw/zinc/98/33/34/937983334.db2.gz WWERMYPILKOMLM-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)C2(CC)CC2)C(C)(C)C1 ZINC001502832086 937983415 /nfs/dbraw/zinc/98/34/15/937983415.db2.gz KPYANCJMAQGZNB-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@H+](CC[C@@H](C)F)CC1(C)C ZINC001502832775 937983827 /nfs/dbraw/zinc/98/38/27/937983827.db2.gz YTZZWJICNHLXDS-CABCVRRESA-N 1 1 298.446 3.308 20 30 CGEDMO CC[C@H](C)C[N@@H+](C)C[C@H]1CCCN1C(=O)C#CC(C)(C)C ZINC001505430058 937985226 /nfs/dbraw/zinc/98/52/26/937985226.db2.gz YXTLRBODWAJJJD-JKSUJKDBSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C)C(C)(C)C ZINC001505435875 937985509 /nfs/dbraw/zinc/98/55/09/937985509.db2.gz QCJIHOXFNOPONV-GJZGRUSLSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)c1cc(C)cs1 ZINC001505914550 937987903 /nfs/dbraw/zinc/98/79/03/937987903.db2.gz NPDDATXQIYUEJI-ZDUSSCGKSA-N 1 1 280.437 3.073 20 30 CGEDMO C#CCCCC(=O)NC[C@@H](C)[N@@H+](C)CC1CCCCCC1 ZINC001505909762 937988130 /nfs/dbraw/zinc/98/81/30/937988130.db2.gz GGQXJTFGUNLQAB-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)c1ccoc1C1CC1 ZINC001505989314 937988326 /nfs/dbraw/zinc/98/83/26/937988326.db2.gz SHWYMYMEPWLMJM-CYBMUJFWSA-N 1 1 290.407 3.173 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)C1CCC=CCC1 ZINC001506058418 937988950 /nfs/dbraw/zinc/98/89/50/937988950.db2.gz DPDHHYCIMZGPDY-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C#CCC[N@H+](C)[C@@H](C)CNC(=O)C[C@@H]1CCCCC1(C)C ZINC001506071713 937989134 /nfs/dbraw/zinc/98/91/34/937989134.db2.gz FUUZTFPTTALBSQ-HOTGVXAUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C)C(C)C ZINC001506577240 937991080 /nfs/dbraw/zinc/99/10/80/937991080.db2.gz YYVGVJNXOPZXOK-HOTGVXAUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@H+]1C[C@H](NC(=O)C[C@H]2C=CCC2)C(C)(C)C1 ZINC001506727438 937991485 /nfs/dbraw/zinc/99/14/85/937991485.db2.gz IJQLDPQYJSYJJB-HOTGVXAUSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2CCC)C(C)(C)C1 ZINC001506747319 937991633 /nfs/dbraw/zinc/99/16/33/937991633.db2.gz QCEQNBMVKPFJAM-OAGGEKHMSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CCC(=O)N1CC2(C1)CCC[N@H+](CC[C@@H](C)F)C2 ZINC001506862981 937992076 /nfs/dbraw/zinc/99/20/76/937992076.db2.gz KFJGWGGEWPCTML-OAHLLOKOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)CCC(=O)N1CC2(C1)CCC[N@H+](CCC(=C)C)C2 ZINC001506863259 937992106 /nfs/dbraw/zinc/99/21/06/937992106.db2.gz SUDSJPLFLMMBDI-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)C[C@H](CC)C(C)C)CCC[C@@H]12 ZINC001507353023 937995158 /nfs/dbraw/zinc/99/51/58/937995158.db2.gz RMXUBWBFNBEGHD-LZLYRXPVSA-N 1 1 292.467 3.358 20 30 CGEDMO Cc1cc(C#N)nc(N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC001515623417 938006980 /nfs/dbraw/zinc/00/69/80/938006980.db2.gz HJGGJMWIWTYAMP-LSDHHAIUSA-N 1 1 298.434 3.327 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)c1 ZINC001520336219 938024910 /nfs/dbraw/zinc/02/49/10/938024910.db2.gz CIUGPNHUIDADRW-BHYGNILZSA-N 1 1 299.418 3.181 20 30 CGEDMO C=C(CC(C)C)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC001527415795 938061562 /nfs/dbraw/zinc/06/15/62/938061562.db2.gz YSRPNPFUCCTOSM-KRWDZBQOSA-N 1 1 286.419 3.104 20 30 CGEDMO C=C(CC(C)C)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC001527415795 938061563 /nfs/dbraw/zinc/06/15/63/938061563.db2.gz YSRPNPFUCCTOSM-KRWDZBQOSA-N 1 1 286.419 3.104 20 30 CGEDMO C=C[C@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001528409703 938067240 /nfs/dbraw/zinc/06/72/40/938067240.db2.gz PZRNIVWELOGCAY-WFFDWFOESA-N 1 1 298.430 3.040 20 30 CGEDMO C#CCCCCCC[N@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001559562505 938229666 /nfs/dbraw/zinc/22/96/66/938229666.db2.gz DGRWIVLNEBQLQV-CHWSQXEVSA-N 1 1 277.330 3.222 20 30 CGEDMO C#CCCCCCC[N@@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001559562505 938229667 /nfs/dbraw/zinc/22/96/67/938229667.db2.gz DGRWIVLNEBQLQV-CHWSQXEVSA-N 1 1 277.330 3.222 20 30 CGEDMO C#CCCCCCC[N@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001559562506 938229900 /nfs/dbraw/zinc/22/99/00/938229900.db2.gz DGRWIVLNEBQLQV-OLZOCXBDSA-N 1 1 277.330 3.222 20 30 CGEDMO C#CCCCCCC[N@@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001559562506 938229901 /nfs/dbraw/zinc/22/99/01/938229901.db2.gz DGRWIVLNEBQLQV-OLZOCXBDSA-N 1 1 277.330 3.222 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)C[C@@H]1CC[C@H](C2CC2)O1 ZINC001559688772 938232811 /nfs/dbraw/zinc/23/28/11/938232811.db2.gz CSKLXQNVFCAVHI-DLBZAZTESA-N 1 1 275.392 3.268 20 30 CGEDMO C#CCCCCCC[N@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC001559779615 938235501 /nfs/dbraw/zinc/23/55/01/938235501.db2.gz CQHJESBORIRCNK-HOTGVXAUSA-N 1 1 251.414 3.053 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](C[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001559983266 938241071 /nfs/dbraw/zinc/24/10/71/938241071.db2.gz LUEFRNZRPWWGKL-KGLIPLIRSA-N 1 1 282.428 3.188 20 30 CGEDMO C#CCC[N@@H+](Cc1ccccc1)[C@@H](CO)c1ccccc1 ZINC001560071785 938243247 /nfs/dbraw/zinc/24/32/47/938243247.db2.gz OQXDZQUZNQXFKY-IBGZPJMESA-N 1 1 279.383 3.246 20 30 CGEDMO CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)[N@@H+](CCC(C)(C)C#N)[C@H]1C ZINC001560222756 938247848 /nfs/dbraw/zinc/24/78/48/938247848.db2.gz JDYGZTYGBCLROB-APIJFGDWSA-N 1 1 294.439 3.224 20 30 CGEDMO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@@H+](CCC(C)(C)C#N)[C@@H]1C ZINC001560222759 938247862 /nfs/dbraw/zinc/24/78/62/938247862.db2.gz JDYGZTYGBCLROB-LXTVHRRPSA-N 1 1 294.439 3.224 20 30 CGEDMO N#Cc1cccc(NC(=O)C[N@H+]2CC=CC23CCCCC3)c1 ZINC001560236668 938248598 /nfs/dbraw/zinc/24/85/98/938248598.db2.gz VCPQLGAANLYCFE-UHFFFAOYSA-N 1 1 295.386 3.071 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC001560289559 938251363 /nfs/dbraw/zinc/25/13/63/938251363.db2.gz LOGFUKNPYOAAOV-PBHICJAKSA-N 1 1 299.462 3.385 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC001560289559 938251364 /nfs/dbraw/zinc/25/13/64/938251364.db2.gz LOGFUKNPYOAAOV-PBHICJAKSA-N 1 1 299.462 3.385 20 30 CGEDMO CC(C)C[N@@H+](Cc1cc(C#N)ccc1N(C)C)C1CC1 ZINC001560650639 938268332 /nfs/dbraw/zinc/26/83/32/938268332.db2.gz SOYIHOKTIBBDNU-UHFFFAOYSA-N 1 1 271.408 3.245 20 30 CGEDMO C#C[C@H]([NH2+]Cc1nc(-c2cccs2)oc1C)C(C)C ZINC001560817721 938277496 /nfs/dbraw/zinc/27/74/96/938277496.db2.gz AXIQODIECSVKFE-LBPRGKRZSA-N 1 1 274.389 3.459 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)C[C@]1(C)CCCCO1 ZINC001560821809 938278133 /nfs/dbraw/zinc/27/81/33/938278133.db2.gz BZOUYJPIEOXVNQ-KRWDZBQOSA-N 1 1 257.377 3.081 20 30 CGEDMO C=C(C)C[C@H]([NH2+][C@@H](CC)CCCC)C(=O)OCC ZINC001560987064 938288286 /nfs/dbraw/zinc/28/82/86/938288286.db2.gz PRZGCNWSFREOBP-KBPBESRZSA-N 1 1 255.402 3.443 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CCOCC1)c1nccc2ccccc21 ZINC001561044739 938291268 /nfs/dbraw/zinc/29/12/68/938291268.db2.gz MQNNBYKELYMQMR-AWEZNQCLSA-N 1 1 295.386 3.206 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C(C)C ZINC001490798925 957900699 /nfs/dbraw/zinc/90/06/99/957900699.db2.gz NWJFSAMPMYPUPQ-TWMKSMIVSA-N 1 1 292.467 3.308 20 30 CGEDMO CC(C)N1CCC([NH2+]C(C)(C)c2ccc(C#N)cc2)CC1 ZINC001257204865 960427179 /nfs/dbraw/zinc/42/71/79/960427179.db2.gz RJQHROSCPYBYFV-UHFFFAOYSA-N 1 1 285.435 3.256 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)c1cocc1C ZINC001317430652 960430433 /nfs/dbraw/zinc/43/04/33/960430433.db2.gz YNPDMKUCXDWNIA-OAHLLOKOSA-N 1 1 290.407 3.139 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H](CC)CCCC)C1 ZINC001569630357 960453762 /nfs/dbraw/zinc/45/37/62/960453762.db2.gz YBQDUVBWAPNOER-RDJZCZTQSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)c2ccoc2)C1 ZINC001566737109 960571141 /nfs/dbraw/zinc/57/11/41/960571141.db2.gz XJSCPSBMGVXWLG-OAHLLOKOSA-N 1 1 290.407 3.030 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H](C)CCC)C1 ZINC001567695829 960598072 /nfs/dbraw/zinc/59/80/72/960598072.db2.gz GSXYANRROKZPKM-JSGCOSHPSA-N 1 1 286.847 3.003 20 30 CGEDMO C=CC(C)(C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC/C=C\CC ZINC001565822562 960838873 /nfs/dbraw/zinc/83/88/73/960838873.db2.gz IMDPDWQNRNMKPG-CDNLZTBQSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C1(C)CCC1 ZINC001565822277 960840408 /nfs/dbraw/zinc/84/04/08/960840408.db2.gz BYZCACFYPLRMJQ-LSDHHAIUSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](CC)SC ZINC001566119956 960889315 /nfs/dbraw/zinc/88/93/15/960889315.db2.gz SZMVYUGHLHHQHL-GJZGRUSLSA-N 1 1 298.496 3.017 20 30 CGEDMO CC#CCCCC(=O)N[C@H]1CC[N@H+](CCC)CC(C)(C)C1 ZINC001566131328 960890362 /nfs/dbraw/zinc/89/03/62/960890362.db2.gz KIJCVHLADMBLEY-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)C1CC(C(C)(C)C)C1 ZINC001566577206 960967275 /nfs/dbraw/zinc/96/72/75/960967275.db2.gz PVCSOFULJSHXCJ-UHFFFAOYSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001566628230 960971514 /nfs/dbraw/zinc/97/15/14/960971514.db2.gz UPHQMRDYENVHOE-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)CC/C=C/c2ccccc2)C1 ZINC001566671833 960977323 /nfs/dbraw/zinc/97/73/23/960977323.db2.gz BXANAAWUNKAIGR-OPUMOTSWSA-N 1 1 298.430 3.247 20 30 CGEDMO C=CCCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC=C ZINC001566820350 961028531 /nfs/dbraw/zinc/02/85/31/961028531.db2.gz NVFSESCAFDYMJW-MQVJKMGUSA-N 1 1 276.424 3.030 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C(C)C)C1 ZINC001566873424 961031366 /nfs/dbraw/zinc/03/13/66/961031366.db2.gz FOIYDRQDUAYLGS-OAHLLOKOSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C(C)C)C1 ZINC001566959268 961069906 /nfs/dbraw/zinc/06/99/06/961069906.db2.gz AGLVHZAYSBUBQR-WBVHZDCISA-N 1 1 292.467 3.380 20 30 CGEDMO C=CCCC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001566956423 961077914 /nfs/dbraw/zinc/07/79/14/961077914.db2.gz AHGOOTUHIITPHV-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)CCCCCF)C1 ZINC001567195915 961138286 /nfs/dbraw/zinc/13/82/86/961138286.db2.gz DLLAVQWFOKWCIL-HNNXBMFYSA-N 1 1 298.446 3.261 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)C(C)C)C1 ZINC001567200258 961142048 /nfs/dbraw/zinc/14/20/48/961142048.db2.gz UEGGLTUQVZUQRQ-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H](C)C1CCCC1 ZINC001567265064 961155589 /nfs/dbraw/zinc/15/55/89/961155589.db2.gz PIDVTPZWCRVOGX-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)c1ccc(C=C)cc1 ZINC001567259344 961158954 /nfs/dbraw/zinc/15/89/54/961158954.db2.gz CQADCFKHQWQJRO-SFHVURJKSA-N 1 1 298.430 3.490 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CC)CCNC(=O)c1cccc(C)c1 ZINC001567325270 961272102 /nfs/dbraw/zinc/27/21/02/961272102.db2.gz UKGPUBLYKGHTFU-MRXNPFEDSA-N 1 1 288.435 3.401 20 30 CGEDMO C=CCCC(=O)NCC[N@H+](CC)Cc1ccc(F)cc1C ZINC001567327524 961280502 /nfs/dbraw/zinc/28/05/02/961280502.db2.gz RADDOLLGQOXKOK-UHFFFAOYSA-N 1 1 292.398 3.038 20 30 CGEDMO C=CC[N@@H+](CC)CCNC(=O)C1(CC=C)CCCCC1 ZINC001567354379 961290740 /nfs/dbraw/zinc/29/07/40/961290740.db2.gz ZXFQMIJZCJRBTR-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001567403904 961322339 /nfs/dbraw/zinc/32/23/39/961322339.db2.gz VGPNNIJVDKKEFD-MRXNPFEDSA-N 1 1 292.467 3.217 20 30 CGEDMO C#CCC[N@H+](CCNC(=O)c1ccccc1C(C)C)C1CC1 ZINC001567443425 961342438 /nfs/dbraw/zinc/34/24/38/961342438.db2.gz ZPLWOYOVPTYPAD-UHFFFAOYSA-N 1 1 298.430 3.028 20 30 CGEDMO C=CCCC[N@H+](CCNC(=O)c1ccc(C)s1)C1CC1 ZINC001567435539 961345060 /nfs/dbraw/zinc/34/50/60/961345060.db2.gz SMZNAYLPIAFDRH-UHFFFAOYSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CCNC(=O)c1cocc1C)C1CC1 ZINC001567447680 961350510 /nfs/dbraw/zinc/35/05/10/961350510.db2.gz YTPAUEFYWXFUOJ-AWEZNQCLSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@H]([NH2+]CCF)c1ccccc1 ZINC001567660134 961383888 /nfs/dbraw/zinc/38/38/88/961383888.db2.gz UFVKQRVZMGHOKH-HNNXBMFYSA-N 1 1 292.398 3.005 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001567735675 961418845 /nfs/dbraw/zinc/41/88/45/961418845.db2.gz FFUOPGDGVREHEM-HZPDHXFCSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CCC(=O)NC1C[NH+]([C@@H](CC)c2ccccc2)C1 ZINC001567794627 961437014 /nfs/dbraw/zinc/43/70/14/961437014.db2.gz CWJYWAUILFQIQO-KRWDZBQOSA-N 1 1 286.419 3.294 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2ccc(C)cc2)C1 ZINC001567882414 961451140 /nfs/dbraw/zinc/45/11/40/961451140.db2.gz CHFXFSJBVSOQMG-WBVHZDCISA-N 1 1 286.419 3.154 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001567876776 961457877 /nfs/dbraw/zinc/45/78/77/961457877.db2.gz KZHIHJJVYZWRKK-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)C(=O)N(C)[C@@H]1CC[N@H+](CC(CC)CC)C1 ZINC001567918090 961460117 /nfs/dbraw/zinc/46/01/17/961460117.db2.gz ARSCHYPVBXCVOH-OAHLLOKOSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C/C(C)=C/CC(=O)N(CC)[C@H]1CC[N@@H+](CCC(=C)C)C1 ZINC001567940514 961470116 /nfs/dbraw/zinc/47/01/16/961470116.db2.gz HKSGSGWQCBOXQW-BDBSJLECSA-N 1 1 290.451 3.398 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)c1cc2ccc(C)cc2[nH]1 ZINC001568491353 961598831 /nfs/dbraw/zinc/59/88/31/961598831.db2.gz JHIDXNIYZXYONC-UHFFFAOYSA-N 1 1 299.418 3.056 20 30 CGEDMO C=CC[N@H+](C)CCN(C)C(=O)CC1(C=C)CCCCC1 ZINC001568498986 961600904 /nfs/dbraw/zinc/60/09/04/961600904.db2.gz XPWKQCYKNHVMBI-UHFFFAOYSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCCC)C1 ZINC001568514405 961603115 /nfs/dbraw/zinc/60/31/15/961603115.db2.gz XHXNUVFCIIDYTE-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)c1ccc(Cl)c(F)c1 ZINC001568551643 961613747 /nfs/dbraw/zinc/61/37/47/961613747.db2.gz NBQOVXJLTJZWIK-UHFFFAOYSA-N 1 1 298.789 3.059 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@H](C)NC(=O)c1ccccc1 ZINC001569103110 961691911 /nfs/dbraw/zinc/69/19/11/961691911.db2.gz IBURQOPWCZEWDF-GJZGRUSLSA-N 1 1 274.408 3.091 20 30 CGEDMO C=CC[N@H+](C)C[C@H](C)NC(=O)c1csc2ccccc21 ZINC001569131103 961703114 /nfs/dbraw/zinc/70/31/14/961703114.db2.gz JHJMVWLQUWWAGI-LBPRGKRZSA-N 1 1 288.416 3.137 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(C)c(C)c1 ZINC001569149899 961707251 /nfs/dbraw/zinc/70/72/51/961707251.db2.gz NIVJWGNMRVDCRC-MRXNPFEDSA-N 1 1 288.435 3.320 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)c1ccc(C)c(C)c1 ZINC001569149674 961708079 /nfs/dbraw/zinc/70/80/79/961708079.db2.gz HVNBIRNYRMFDBF-INIZCTEOSA-N 1 1 288.435 3.320 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1(C)C ZINC001569444746 961770016 /nfs/dbraw/zinc/77/00/16/961770016.db2.gz JPODADXYIXGYJG-PMPSAXMXSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C1CC1 ZINC001569445054 961770590 /nfs/dbraw/zinc/77/05/90/961770590.db2.gz VJBHPTRHSNIGLH-UAGQMJEPSA-N 1 1 290.451 3.064 20 30 CGEDMO C#CCCCC(=O)N(C)C1C[NH+]([C@H](C)c2cccc(C)c2)C1 ZINC001569489716 961775550 /nfs/dbraw/zinc/77/55/50/961775550.db2.gz FOUFXZHMYBQSSS-MRXNPFEDSA-N 1 1 298.430 3.002 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(=C)C ZINC001569619032 961802489 /nfs/dbraw/zinc/80/24/89/961802489.db2.gz YKRWLSRJZSZPSP-SJORKVTESA-N 1 1 290.451 3.374 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)C[C@H]2C=CCCC2)C1 ZINC001569641778 961810290 /nfs/dbraw/zinc/81/02/90/961810290.db2.gz SQZQLKZUAARFIE-FUHWJXTLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001569650762 961813601 /nfs/dbraw/zinc/81/36/01/961813601.db2.gz HPYDRYMLYUEZRH-YJBOKZPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)CC2CCCC2)C1 ZINC001569708874 961826084 /nfs/dbraw/zinc/82/60/84/961826084.db2.gz LPANMEIDRXKMII-SFHVURJKSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)C2(F)CCCC2)C1 ZINC001569716706 961832547 /nfs/dbraw/zinc/83/25/47/961832547.db2.gz VHAOWHWUIQQCQS-MRXNPFEDSA-N 1 1 296.430 3.063 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC ZINC001569909258 961876459 /nfs/dbraw/zinc/87/64/59/961876459.db2.gz BSAMDMAMKUZGLB-GJZGRUSLSA-N 1 1 278.440 3.064 20 30 CGEDMO CCC/C=C/CC[N@@H+](C)CCCN(C)C(=O)C#CC(C)C ZINC001570196800 961923753 /nfs/dbraw/zinc/92/37/53/961923753.db2.gz PXMGYSBOOUVWIC-CMDGGOBGSA-N 1 1 292.467 3.173 20 30 CGEDMO C=CCCC[N@H+](C)CCCN(C)C(=O)C1CC(C)(C)C1 ZINC001570196509 961925449 /nfs/dbraw/zinc/92/54/49/961925449.db2.gz JLCFZPNLYFXGMJ-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[C@@H](F)C1 ZINC001570196687 961927434 /nfs/dbraw/zinc/92/74/34/961927434.db2.gz OHJDQPRFJUVOAC-HZPDHXFCSA-N 1 1 298.446 3.261 20 30 CGEDMO C=CCCC[N@H+](C)CCCN(C)C(=O)c1cc(C)c(C)o1 ZINC001570195747 961927484 /nfs/dbraw/zinc/92/74/84/961927484.db2.gz WRPVCBGCMYZJRG-UHFFFAOYSA-N 1 1 292.423 3.257 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)CCC)C2 ZINC001570275058 961940239 /nfs/dbraw/zinc/94/02/39/961940239.db2.gz OPVWAORQDXZYAX-WMZOPIPTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@]2(CC[N@@H+](CC(=C)C)C2)C1 ZINC001570273469 961945413 /nfs/dbraw/zinc/94/54/13/961945413.db2.gz QSYZYPUBNXHZTM-GOSISDBHSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C=C(C)C)C2 ZINC001570271154 961945439 /nfs/dbraw/zinc/94/54/39/961945439.db2.gz BTTBCFJJIILLOU-SFHVURJKSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)C(C)C)C(C)(C)C1 ZINC001570398224 961961983 /nfs/dbraw/zinc/96/19/83/961961983.db2.gz YFEUJAUCHLTDFH-CABCVRRESA-N 1 1 280.456 3.071 20 30 CGEDMO CC#CC[N@H+]1CC[C@H](NC(=O)CCCCC(C)C)C[C@H]1C ZINC001570444041 961966476 /nfs/dbraw/zinc/96/64/76/961966476.db2.gz AXGVQPFGVUDRSO-SJORKVTESA-N 1 1 292.467 3.195 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CCC(=C)C)[C@H](C)C1 ZINC001570440193 961966938 /nfs/dbraw/zinc/96/69/38/961966938.db2.gz JDQXTXPLPXHMRW-HUUCEWRRSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CC[N@H+](CC)CC1CCN(C(=O)C2(F)CCCC2)CC1 ZINC001570501553 961976774 /nfs/dbraw/zinc/97/67/74/961976774.db2.gz QPTFMWVIVQZLQY-UHFFFAOYSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccoc1C(C)C ZINC001570549321 961999049 /nfs/dbraw/zinc/99/90/49/961999049.db2.gz WRTBYJCUYRQPJE-AWEZNQCLSA-N 1 1 290.407 3.125 20 30 CGEDMO C#CCCCC(=O)NC[C@@H](C)[N@@H+](C)CCC1CCCCC1 ZINC001570709564 962063768 /nfs/dbraw/zinc/06/37/68/962063768.db2.gz RMVJEWVVXQKRJJ-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)CC(C)(C)C ZINC001570751058 962071638 /nfs/dbraw/zinc/07/16/38/962071638.db2.gz BENGZFIEYXXZIW-ZDUSSCGKSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)CNC(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001570740548 962077605 /nfs/dbraw/zinc/07/76/05/962077605.db2.gz QXKAHTWGLQZUNW-VBQJREDUSA-N 1 1 280.456 3.071 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC([N@H+](C)C[C@@H](F)CC)CC1 ZINC001571333299 962137764 /nfs/dbraw/zinc/13/77/64/962137764.db2.gz LRHRJVCZTPMORN-GJZGRUSLSA-N 1 1 298.446 3.260 20 30 CGEDMO CC#CCCCC(=O)N[C@@H]1CCC[N@H+](CCCCC)[C@H]1C ZINC001571521976 962164920 /nfs/dbraw/zinc/16/49/20/962164920.db2.gz ZIBBQLKTHLEXMM-DLBZAZTESA-N 1 1 292.467 3.339 20 30 CGEDMO C=CCCC[N@H+]1CC[C@]2(NC(=O)[C@@H](C)CC)CCC[C@H]12 ZINC001571495244 962165472 /nfs/dbraw/zinc/16/54/72/962165472.db2.gz NVHVDUGXCFRHSG-YQQAZPJKSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)CCC(C)C)[C@H]1C ZINC001571515540 962169812 /nfs/dbraw/zinc/16/98/12/962169812.db2.gz TWSOXBMUWUVZFA-CVEARBPZSA-N 1 1 280.456 3.358 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)CC(C)C)[C@H]1C ZINC001571525674 962180025 /nfs/dbraw/zinc/18/00/25/962180025.db2.gz VQIYWUMNRFBYKK-HZPDHXFCSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)CC(CC)CC)[C@H]1C ZINC001571524836 962181875 /nfs/dbraw/zinc/18/18/75/962181875.db2.gz KQJYILAJIYAOCS-GDBMZVCRSA-N 1 1 280.456 3.358 20 30 CGEDMO C#CCC[N@H+](C)CCN(C(=O)C[C@@H]1CC[C@H](C)C1)C(C)C ZINC001571614015 962185493 /nfs/dbraw/zinc/18/54/93/962185493.db2.gz RJRIUNNZHZXJAH-DLBZAZTESA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC001571694663 962212030 /nfs/dbraw/zinc/21/20/30/962212030.db2.gz POIAHRDUWMLSRL-IAGOWNOFSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1ccc(C)c(-c2nn[nH]n2)c1 ZINC001573335027 962253018 /nfs/dbraw/zinc/25/30/18/962253018.db2.gz VGAYLPDRQGNYIP-HNNXBMFYSA-N 1 1 297.406 3.106 20 30 CGEDMO C=CC1(CC(=O)N2C[C@H](C)[N@@H+](CC)C[C@H]2C)CCCCC1 ZINC001583881730 962859309 /nfs/dbraw/zinc/85/93/09/962859309.db2.gz XSTLDKJPFVDGHO-JKSUJKDBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C1CCC(C(=O)Nc2cc(C)c3[nH+]ccn3c2)CC1 ZINC001583868026 962861399 /nfs/dbraw/zinc/86/13/99/962861399.db2.gz ZQWZNVFHBMVYNZ-UHFFFAOYSA-N 1 1 269.348 3.328 20 30 CGEDMO C=CC[C@@H]1CC[C@H]([NH2+]C2CCN(C3CCC3)CC2)C1 ZINC000651688632 398269478 /nfs/dbraw/zinc/26/94/78/398269478.db2.gz RKYRTJPQNFCQEX-ZBFHGGJFSA-N 1 1 262.441 3.338 20 30 CGEDMO C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)CC(C)(C)C#N ZINC000590123837 346829393 /nfs/dbraw/zinc/82/93/93/346829393.db2.gz PBKBTEJCNWBXHC-UHFFFAOYSA-N 1 1 269.392 3.469 20 30 CGEDMO C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)CC(C)(C)C#N ZINC000590123837 346829397 /nfs/dbraw/zinc/82/93/97/346829397.db2.gz PBKBTEJCNWBXHC-UHFFFAOYSA-N 1 1 269.392 3.469 20 30 CGEDMO COc1cccc(-c2n[nH]cc2C[N@H+](C)CC(C)(C)C#N)c1 ZINC000590373301 346844800 /nfs/dbraw/zinc/84/48/00/346844800.db2.gz YCHUJJTWAVOCGK-UHFFFAOYSA-N 1 1 298.390 3.067 20 30 CGEDMO COc1cccc(-c2n[nH]cc2C[N@@H+](C)CC(C)(C)C#N)c1 ZINC000590373301 346844804 /nfs/dbraw/zinc/84/48/04/346844804.db2.gz YCHUJJTWAVOCGK-UHFFFAOYSA-N 1 1 298.390 3.067 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)C1COC1 ZINC000590745465 346870913 /nfs/dbraw/zinc/87/09/13/346870913.db2.gz BWOHKMVQWHWVFV-UHFFFAOYSA-N 1 1 272.392 3.097 20 30 CGEDMO CCn1ccnc1[C@@H](C)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000590778538 346875100 /nfs/dbraw/zinc/87/51/00/346875100.db2.gz ZWRSWASROVGWAI-MLGOLLRUSA-N 1 1 280.375 3.113 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@]3(CCOC3)C2)cc1 ZINC000590762903 346872407 /nfs/dbraw/zinc/87/24/07/346872407.db2.gz ISHWIMPXJGHBLN-IBGZPJMESA-N 1 1 298.430 3.490 20 30 CGEDMO COc1cccc2c1C[N@@H+](CCCC(C)(C)C#N)CC2 ZINC000590759709 346872741 /nfs/dbraw/zinc/87/27/41/346872741.db2.gz JJMZZXUUIOGNEG-UHFFFAOYSA-N 1 1 272.392 3.383 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccn(C)n1 ZINC000590972489 346892736 /nfs/dbraw/zinc/89/27/36/346892736.db2.gz AIIQMFFKLRPSGH-ZDUSSCGKSA-N 1 1 282.391 3.072 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCO[C@H](C3CCC3)C2)cc1 ZINC000591041810 346896771 /nfs/dbraw/zinc/89/67/71/346896771.db2.gz SRGIQZAZTLLOID-SFHVURJKSA-N 1 1 298.430 3.489 20 30 CGEDMO C[C@H]1[C@@H](CO)CCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000591056169 346897619 /nfs/dbraw/zinc/89/76/19/346897619.db2.gz FOQZFFDBYAQMDX-GOEBONIOSA-N 1 1 286.419 3.081 20 30 CGEDMO COc1nc(C)cc(C)c1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000591503689 346926879 /nfs/dbraw/zinc/92/68/79/346926879.db2.gz BVMRUQVEHDEHFH-UHFFFAOYSA-N 1 1 299.349 3.008 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@H]2NC[C@@H]([NH3+])c1ccccc1 ZINC000591577346 346929048 /nfs/dbraw/zinc/92/90/48/346929048.db2.gz UQAKMJCGUWYOKW-RTBURBONSA-N 1 1 291.398 3.225 20 30 CGEDMO CC[C@H]1CN(C)CC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000591849974 346942486 /nfs/dbraw/zinc/94/24/86/346942486.db2.gz GZCXSGOAEMORSY-KRWDZBQOSA-N 1 1 285.435 3.014 20 30 CGEDMO CC[C@H]1C[N@@H+](C)CCN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000591849974 346942491 /nfs/dbraw/zinc/94/24/91/346942491.db2.gz GZCXSGOAEMORSY-KRWDZBQOSA-N 1 1 285.435 3.014 20 30 CGEDMO CCc1nc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)cs1 ZINC000353426385 529740729 /nfs/dbraw/zinc/74/07/29/529740729.db2.gz MBAWCKPNQUUHIY-OAHLLOKOSA-N 1 1 283.400 3.354 20 30 CGEDMO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000295066337 199327848 /nfs/dbraw/zinc/32/78/48/199327848.db2.gz QQJNAEXPCQGLKT-PWSUYJOCSA-N 1 1 285.313 3.060 20 30 CGEDMO CCOc1cccc([C@@H](C)[NH2+]Cc2ccncc2C#N)c1 ZINC000592091736 346962517 /nfs/dbraw/zinc/96/25/17/346962517.db2.gz BMVDRMNPNAFWTE-CYBMUJFWSA-N 1 1 281.359 3.203 20 30 CGEDMO CC(C)(C)C[C@H]1CCC[N@H+]1Cc1ccncc1C#N ZINC000592066049 346958991 /nfs/dbraw/zinc/95/89/91/346958991.db2.gz FQQZQYMRMQRPJU-OAHLLOKOSA-N 1 1 257.381 3.354 20 30 CGEDMO CCC[N@H+](Cc1ccc(OC)cc1)Cc1ccncc1C#N ZINC000592066310 346959683 /nfs/dbraw/zinc/95/96/83/346959683.db2.gz ZNTCQLXCGFJCFV-UHFFFAOYSA-N 1 1 295.386 3.374 20 30 CGEDMO CCC[N@@H+](Cc1ccc(OC)cc1)Cc1ccncc1C#N ZINC000592066310 346959686 /nfs/dbraw/zinc/95/96/86/346959686.db2.gz ZNTCQLXCGFJCFV-UHFFFAOYSA-N 1 1 295.386 3.374 20 30 CGEDMO C#CC[N@H+]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000728056246 571786236 /nfs/dbraw/zinc/78/62/36/571786236.db2.gz MCHOCIMLQWAFAU-ZDUSSCGKSA-N 1 1 253.267 3.476 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000728056246 571786240 /nfs/dbraw/zinc/78/62/40/571786240.db2.gz MCHOCIMLQWAFAU-ZDUSSCGKSA-N 1 1 253.267 3.476 20 30 CGEDMO N#CC[C@]1(O)CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000592146846 346967031 /nfs/dbraw/zinc/96/70/31/346967031.db2.gz KWTNTDFYWAVGDD-IBGZPJMESA-N 1 1 292.382 3.204 20 30 CGEDMO Cc1ccccc1C[C@H](C)[N@@H+](C)Cc1ccncc1C#N ZINC000592116287 346964255 /nfs/dbraw/zinc/96/42/55/346964255.db2.gz HJDUSIJYUCTVAM-HNNXBMFYSA-N 1 1 279.387 3.325 20 30 CGEDMO CN1C[C@@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)[C@H](c2ccccc2)C1 ZINC000592404318 346985278 /nfs/dbraw/zinc/98/52/78/346985278.db2.gz XMFXXROJZBEGEP-AITUJVMLSA-N 1 1 297.446 3.004 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000593010452 347027019 /nfs/dbraw/zinc/02/70/19/347027019.db2.gz CQCLAYGKPDVYOH-CQSZACIVSA-N 1 1 297.314 3.049 20 30 CGEDMO CC[C@@H](OCC[N@H+](CC)CCC#N)c1ccccc1 ZINC000593015927 347027826 /nfs/dbraw/zinc/02/78/26/347027826.db2.gz CWBQVTLLFWTNAA-MRXNPFEDSA-N 1 1 260.381 3.390 20 30 CGEDMO CC[C@@H](OCC[N@@H+](CC)CCC#N)c1ccccc1 ZINC000593015927 347027829 /nfs/dbraw/zinc/02/78/29/347027829.db2.gz CWBQVTLLFWTNAA-MRXNPFEDSA-N 1 1 260.381 3.390 20 30 CGEDMO C[C@]1(c2cccc(F)c2)CC[N@H+](Cc2ccncc2C#N)C1 ZINC000593041282 347031942 /nfs/dbraw/zinc/03/19/42/347031942.db2.gz PHOVZIPWUUSTSW-SFHVURJKSA-N 1 1 295.361 3.256 20 30 CGEDMO C[C@]1(c2cccc(F)c2)CC[N@@H+](Cc2ccncc2C#N)C1 ZINC000593041282 347031946 /nfs/dbraw/zinc/03/19/46/347031946.db2.gz PHOVZIPWUUSTSW-SFHVURJKSA-N 1 1 295.361 3.256 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCc2ccc(F)cc2[C@@H](C)C1 ZINC000593116374 347041169 /nfs/dbraw/zinc/04/11/69/347041169.db2.gz LLTHBEWFCXLQMQ-QWHCGFSZSA-N 1 1 260.356 3.480 20 30 CGEDMO C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(F)c(C#N)c1 ZINC000160531920 529987798 /nfs/dbraw/zinc/98/77/98/529987798.db2.gz ZOEHZRCLOZVIDH-UHFFFAOYSA-N 1 1 272.298 3.468 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+](Cc1ccccc1)C1CC1 ZINC000043688084 345003490 /nfs/dbraw/zinc/00/34/90/345003490.db2.gz YPNRFKXWRMREST-UHFFFAOYSA-N 1 1 286.419 3.076 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+](Cc1ccccc1)C1CC1 ZINC000043688084 345003492 /nfs/dbraw/zinc/00/34/92/345003492.db2.gz YPNRFKXWRMREST-UHFFFAOYSA-N 1 1 286.419 3.076 20 30 CGEDMO Cc1cc([C@H]2CCC[N@@H+]2Cc2cccc(C#N)c2)on1 ZINC000047273591 345050162 /nfs/dbraw/zinc/05/01/62/345050162.db2.gz GIRVPSXEVWGASE-OAHLLOKOSA-N 1 1 267.332 3.192 20 30 CGEDMO Cc1cc([C@H]2CCC[N@H+]2Cc2cccc(C#N)c2)on1 ZINC000047273591 345050163 /nfs/dbraw/zinc/05/01/63/345050163.db2.gz GIRVPSXEVWGASE-OAHLLOKOSA-N 1 1 267.332 3.192 20 30 CGEDMO Cc1cc([C@H]2CCC[N@@H+]2CCOc2ccc(C#N)cc2)no1 ZINC000044590374 345013676 /nfs/dbraw/zinc/01/36/76/345013676.db2.gz AMAYVIYSTLPODQ-QGZVFWFLSA-N 1 1 297.358 3.071 20 30 CGEDMO Cc1cc([C@H]2CCC[N@H+]2CCOc2ccc(C#N)cc2)no1 ZINC000044590374 345013680 /nfs/dbraw/zinc/01/36/80/345013680.db2.gz AMAYVIYSTLPODQ-QGZVFWFLSA-N 1 1 297.358 3.071 20 30 CGEDMO N#CCCC[N@@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000055505005 345150687 /nfs/dbraw/zinc/15/06/87/345150687.db2.gz DLZVINRBKDRRGK-UHFFFAOYSA-N 1 1 291.826 3.151 20 30 CGEDMO N#CCCCN1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000055505005 345150689 /nfs/dbraw/zinc/15/06/89/345150689.db2.gz DLZVINRBKDRRGK-UHFFFAOYSA-N 1 1 291.826 3.151 20 30 CGEDMO N#CCCCN1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000055505005 345150692 /nfs/dbraw/zinc/15/06/92/345150692.db2.gz DLZVINRBKDRRGK-UHFFFAOYSA-N 1 1 291.826 3.151 20 30 CGEDMO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@H]1CCCCO1 ZINC000063300823 345244711 /nfs/dbraw/zinc/24/47/11/345244711.db2.gz XKLQFMFCAVUQRE-QGZVFWFLSA-N 1 1 270.376 3.115 20 30 CGEDMO CC(C)(C)OC(=O)NC[C@H]1CCCC[N@H+]1CCCCC#N ZINC000060366498 345214475 /nfs/dbraw/zinc/21/44/75/345214475.db2.gz OOVXFPDDFWXKTI-CQSZACIVSA-N 1 1 295.427 3.059 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000064481994 345261708 /nfs/dbraw/zinc/26/17/08/345261708.db2.gz VCDNSQOOWGPXSW-UHFFFAOYSA-N 1 1 292.810 3.064 20 30 CGEDMO CC[C@@H]1C[C@@H](C)C[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000072698320 345416212 /nfs/dbraw/zinc/41/62/12/345416212.db2.gz PODSTSMBOYMUNP-CZUORRHYSA-N 1 1 285.391 3.007 20 30 CGEDMO CC[C@H]1C[C@@H](C)C[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000075022028 345490932 /nfs/dbraw/zinc/49/09/32/345490932.db2.gz QJCJYTFAWUMZPF-CVEARBPZSA-N 1 1 299.418 3.054 20 30 CGEDMO CC(C)C[C@@H](C[NH+]1CCCC1)NCc1ccc(C#N)s1 ZINC000295114655 199352477 /nfs/dbraw/zinc/35/24/77/199352477.db2.gz MFKWQTYQLNPOAN-AWEZNQCLSA-N 1 1 291.464 3.220 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)CCc1cccs1 ZINC000075966934 345529295 /nfs/dbraw/zinc/52/92/95/345529295.db2.gz XZBNVENYJABBKA-CQSZACIVSA-N 1 1 294.464 3.036 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075617703 345515766 /nfs/dbraw/zinc/51/57/66/345515766.db2.gz KDNMQFVVXUHWLO-UHFFFAOYSA-N 1 1 282.347 3.006 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075617703 345515769 /nfs/dbraw/zinc/51/57/69/345515769.db2.gz KDNMQFVVXUHWLO-UHFFFAOYSA-N 1 1 282.347 3.006 20 30 CGEDMO C[C@H]1CCCC[C@@H]1OCC[N@H+](CCC#N)CC1CC1 ZINC000081514731 345711732 /nfs/dbraw/zinc/71/17/32/345711732.db2.gz VNZCAGHTLWPSTF-HOCLYGCPSA-N 1 1 264.413 3.207 20 30 CGEDMO C[C@H]1CCCC[C@@H]1OCC[N@@H+](CCC#N)CC1CC1 ZINC000081514731 345711734 /nfs/dbraw/zinc/71/17/34/345711734.db2.gz VNZCAGHTLWPSTF-HOCLYGCPSA-N 1 1 264.413 3.207 20 30 CGEDMO CCN(CCC#N)C(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000084409460 345733840 /nfs/dbraw/zinc/73/38/40/345733840.db2.gz MLMYQROHYQVTIW-UHFFFAOYSA-N 1 1 299.418 3.047 20 30 CGEDMO CCC[N@H+]1CC[C@@H](CNc2cc(C#N)nc3ccccc32)C1 ZINC000091457492 345814773 /nfs/dbraw/zinc/81/47/73/345814773.db2.gz OQLDWXKZCBWCBX-AWEZNQCLSA-N 1 1 294.402 3.250 20 30 CGEDMO C[N@@H+](CCc1cccc(Nc2cccc(C#N)n2)c1)C1CC1 ZINC000091632207 345820014 /nfs/dbraw/zinc/82/00/14/345820014.db2.gz JQUQTHVNTOXOIH-UHFFFAOYSA-N 1 1 292.386 3.334 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+](C)CC(C)(C)CN1CCOCC1 ZINC000089262920 345767784 /nfs/dbraw/zinc/76/77/84/345767784.db2.gz NZCAAJOFHHVRHN-INIZCTEOSA-N 1 1 282.472 3.021 20 30 CGEDMO C=CCNC(=O)C[N@H+](CCCC)[C@@H](C)c1ccccc1 ZINC000123361593 346009108 /nfs/dbraw/zinc/00/91/08/346009108.db2.gz DYNJHDOCWUNBQZ-HNNXBMFYSA-N 1 1 274.408 3.152 20 30 CGEDMO C=CCCCCC[N@H+](C)CCC(=O)NC1CCCC1 ZINC000150892314 346134514 /nfs/dbraw/zinc/13/45/14/346134514.db2.gz XVTZLIPBRBPFDJ-UHFFFAOYSA-N 1 1 266.429 3.114 20 30 CGEDMO C=CCn1cc(C[NH2+][C@@H](CC)c2cc(C)ccc2C)nn1 ZINC000624003884 349942430 /nfs/dbraw/zinc/94/24/30/349942430.db2.gz NKBWUAPQPSJHMZ-KRWDZBQOSA-N 1 1 284.407 3.322 20 30 CGEDMO CN(C)CC[C@H]([NH2+]Cc1cc(C#N)cs1)C(C)(C)C ZINC000177702770 346251130 /nfs/dbraw/zinc/25/11/30/346251130.db2.gz BCWLNNKYNJHOPZ-AWEZNQCLSA-N 1 1 279.453 3.076 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000190630607 346264727 /nfs/dbraw/zinc/26/47/27/346264727.db2.gz DNXKTCKVAPNCPT-JZXOWHBKSA-N 1 1 294.483 3.463 20 30 CGEDMO COC(=O)C[C@H]1CCCC[N@H+]1CCCCC(C)(C)C#N ZINC000234526056 346331159 /nfs/dbraw/zinc/33/11/59/346331159.db2.gz XOEOAQBINVHDGH-CQSZACIVSA-N 1 1 280.412 3.124 20 30 CGEDMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1CC1(CC#N)CC1 ZINC000302497968 346441172 /nfs/dbraw/zinc/44/11/72/346441172.db2.gz WIBDHMFNFCQHGA-SNVBAGLBSA-N 1 1 260.303 3.343 20 30 CGEDMO CC[C@@H](C)C[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000337179878 346498913 /nfs/dbraw/zinc/49/89/13/346498913.db2.gz LVDUNMJFCSMJPO-CQSZACIVSA-N 1 1 252.402 3.065 20 30 CGEDMO C=CCOCCC[N@H+]1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000451462133 346620637 /nfs/dbraw/zinc/62/06/37/346620637.db2.gz JMTLUQAPLUXUBB-MRXNPFEDSA-N 1 1 285.391 3.293 20 30 CGEDMO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2C)[C@@H](CC)CO1 ZINC000403864197 346598318 /nfs/dbraw/zinc/59/83/18/346598318.db2.gz JOKWJIYKWYXLPA-DLBZAZTESA-N 1 1 272.392 3.256 20 30 CGEDMO C=CC[C@H](CO)C[NH2+][C@H](CCc1ccccc1)C(F)F ZINC000498746445 346634255 /nfs/dbraw/zinc/63/42/55/346634255.db2.gz FUUAMEYZUQKZDG-LSDHHAIUSA-N 1 1 283.362 3.027 20 30 CGEDMO COCc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)cn2)o1 ZINC000584818157 346716370 /nfs/dbraw/zinc/71/63/70/346716370.db2.gz COSSQSUHLHQCPC-MRXNPFEDSA-N 1 1 297.358 3.030 20 30 CGEDMO COCc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cn2)o1 ZINC000584818157 346716373 /nfs/dbraw/zinc/71/63/73/346716373.db2.gz COSSQSUHLHQCPC-MRXNPFEDSA-N 1 1 297.358 3.030 20 30 CGEDMO Cc1nc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)cs1 ZINC000589337968 346794186 /nfs/dbraw/zinc/79/41/86/346794186.db2.gz KYDCPAROZUUWOE-HNNXBMFYSA-N 1 1 269.373 3.100 20 30 CGEDMO C[C@@H]1COCCC[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000589502015 346799035 /nfs/dbraw/zinc/79/90/35/346799035.db2.gz BHFMRJUVZSBWCG-LLVKDONJSA-N 1 1 298.308 3.188 20 30 CGEDMO C[C@@H]1COCCC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000589502015 346799038 /nfs/dbraw/zinc/79/90/38/346799038.db2.gz BHFMRJUVZSBWCG-LLVKDONJSA-N 1 1 298.308 3.188 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cn1)[C@@H]1CCCc2ccccc21 ZINC000593936586 347120204 /nfs/dbraw/zinc/12/02/04/347120204.db2.gz DUAXWXVOYZMQTG-GOSISDBHSA-N 1 1 277.371 3.463 20 30 CGEDMO CC[N@@H+](CCCc1c(F)cccc1F)C[C@@H](C)C#N ZINC000593952218 347122568 /nfs/dbraw/zinc/12/25/68/347122568.db2.gz SGSQDRADFIJJLD-LBPRGKRZSA-N 1 1 266.335 3.379 20 30 CGEDMO N#CC1(CC[N@@H+]2CCCCC[C@H]2CO)CCCCC1 ZINC000594016747 347137879 /nfs/dbraw/zinc/13/78/79/347137879.db2.gz HFQKQYKYBSFRAK-HNNXBMFYSA-N 1 1 264.413 3.087 20 30 CGEDMO CO[C@H](Cc1ccccc1)C[N@@H+]1Cc2ccc(C#N)cc2C1 ZINC000594028126 347138889 /nfs/dbraw/zinc/13/88/89/347138889.db2.gz HEGKLRKYYYMGQY-LJQANCHMSA-N 1 1 292.382 3.132 20 30 CGEDMO CO[C@H](Cc1ccccc1)C[N@H+]1Cc2ccc(C#N)cc2C1 ZINC000594028126 347138892 /nfs/dbraw/zinc/13/88/92/347138892.db2.gz HEGKLRKYYYMGQY-LJQANCHMSA-N 1 1 292.382 3.132 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([NH2+][C@H](Cc2ccccc2)c2ncco2)C1 ZINC000594055173 347145688 /nfs/dbraw/zinc/14/56/88/347145688.db2.gz JJERZHKBDTUWCE-BZUAXINKSA-N 1 1 281.359 3.240 20 30 CGEDMO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1ccc(C#N)cn1 ZINC000593972502 347127295 /nfs/dbraw/zinc/12/72/95/347127295.db2.gz SDPOKPPXGWCSSK-PWSUYJOCSA-N 1 1 283.297 3.116 20 30 CGEDMO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1ccc(C#N)cn1 ZINC000593972502 347127297 /nfs/dbraw/zinc/12/72/97/347127297.db2.gz SDPOKPPXGWCSSK-PWSUYJOCSA-N 1 1 283.297 3.116 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@@H]2C2CC2)cc1 ZINC000594608755 347201736 /nfs/dbraw/zinc/20/17/36/347201736.db2.gz AUMMJXKVRVAIOA-MRXNPFEDSA-N 1 1 254.377 3.472 20 30 CGEDMO C[C@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594606537 347202231 /nfs/dbraw/zinc/20/22/31/347202231.db2.gz IPBATKNSIYBFQP-MAUKXSAKSA-N 1 1 299.462 3.260 20 30 CGEDMO Cc1nc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)[nH]c1C ZINC000594949716 347238466 /nfs/dbraw/zinc/23/84/66/347238466.db2.gz FRRAGGNYDHHFOE-UHFFFAOYSA-N 1 1 280.375 3.067 20 30 CGEDMO C[C@H]1C[C@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)c2nccn21 ZINC000594961676 347242389 /nfs/dbraw/zinc/24/23/89/347242389.db2.gz XZVISFLAMUXJQH-BBRMVZONSA-N 1 1 292.386 3.234 20 30 CGEDMO Cc1csc(C[NH2+]C(C)(C)c2cccc(C#N)c2)n1 ZINC000594969305 347245171 /nfs/dbraw/zinc/24/51/71/347245171.db2.gz OPTACUOZGATESW-UHFFFAOYSA-N 1 1 271.389 3.348 20 30 CGEDMO Cc1cnc(C[NH2+]C(C)(C)c2cccc(C#N)c2)s1 ZINC000594969322 347245424 /nfs/dbraw/zinc/24/54/24/347245424.db2.gz PFXRVFSXFPTIEN-UHFFFAOYSA-N 1 1 271.389 3.348 20 30 CGEDMO N#Cc1ccccc1N1CCC[N@@H+](CC2CC=CC2)CC1 ZINC000595295949 347288066 /nfs/dbraw/zinc/28/80/66/347288066.db2.gz IKWKDKFLZCVVFL-UHFFFAOYSA-N 1 1 281.403 3.037 20 30 CGEDMO Cc1cc([C@@H]2CCC[N@H+]2CCc2ccc(C#N)cc2)on1 ZINC000595299167 347289388 /nfs/dbraw/zinc/28/93/88/347289388.db2.gz WZHKFSCGNWIIBS-INIZCTEOSA-N 1 1 281.359 3.234 20 30 CGEDMO CC(C)(C)c1cccc(C[NH+]2CCN(CCC#N)CC2)c1 ZINC000595391221 347298015 /nfs/dbraw/zinc/29/80/15/347298015.db2.gz HILJMGOLNWFIOR-UHFFFAOYSA-N 1 1 285.435 3.015 20 30 CGEDMO CC[C@H](C)[N@@H+](CC)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000595598430 347323651 /nfs/dbraw/zinc/32/36/51/347323651.db2.gz CZLLGPOEALQRSD-JTQLQIEISA-N 1 1 293.436 3.296 20 30 CGEDMO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)c1C ZINC000595609458 347325802 /nfs/dbraw/zinc/32/58/02/347325802.db2.gz KFJKXTOIZLOBJX-HOTGVXAUSA-N 1 1 299.418 3.256 20 30 CGEDMO Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](CC#N)C2)c1C ZINC000595609458 347325806 /nfs/dbraw/zinc/32/58/06/347325806.db2.gz KFJKXTOIZLOBJX-HOTGVXAUSA-N 1 1 299.418 3.256 20 30 CGEDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CC#N)C1 ZINC000595613752 347327943 /nfs/dbraw/zinc/32/79/43/347327943.db2.gz GWSQSICBMOUYSE-QWHCGFSZSA-N 1 1 273.336 3.281 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2ccc(C(=O)OCC)o2)C1 ZINC000595658419 347334447 /nfs/dbraw/zinc/33/44/47/347334447.db2.gz IQLGQKLWNUNCRO-ZDUSSCGKSA-N 1 1 277.364 3.244 20 30 CGEDMO C[C@H]1COC2(CCC2)C[N@H+]1CCC1(C#N)CCCCC1 ZINC000595683648 347337557 /nfs/dbraw/zinc/33/75/57/347337557.db2.gz XIPNMLNONOICRJ-HNNXBMFYSA-N 1 1 276.424 3.494 20 30 CGEDMO C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)[C@H]1CCO ZINC000595699876 347341355 /nfs/dbraw/zinc/34/13/55/347341355.db2.gz OXOKAYKZKAEDBO-LRDDRELGSA-N 1 1 292.810 3.195 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)[C@H]1CCO ZINC000595699876 347341357 /nfs/dbraw/zinc/34/13/57/347341357.db2.gz OXOKAYKZKAEDBO-LRDDRELGSA-N 1 1 292.810 3.195 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H](CCF)C1 ZINC000595755509 347350300 /nfs/dbraw/zinc/35/03/00/347350300.db2.gz NICKQCIPOROAIE-CYBMUJFWSA-N 1 1 276.355 3.138 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H](CCF)C1 ZINC000595755558 347350351 /nfs/dbraw/zinc/35/03/51/347350351.db2.gz OBDLTZAOQBHMEL-CYBMUJFWSA-N 1 1 276.355 3.138 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@H](CCF)C2)cc1C#N ZINC000595756727 347351661 /nfs/dbraw/zinc/35/16/61/347351661.db2.gz WEQZAOQRNZQTBC-CYBMUJFWSA-N 1 1 276.355 3.138 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](CCF)C2)s1 ZINC000595756363 347352058 /nfs/dbraw/zinc/35/20/58/347352058.db2.gz UJXVWFNLMRSETH-LLVKDONJSA-N 1 1 252.358 3.191 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595786280 347356214 /nfs/dbraw/zinc/35/62/14/347356214.db2.gz HKKACBFWFNDTGD-QZTJIDSGSA-N 1 1 284.403 3.339 20 30 CGEDMO COCC[C@@H]1CCCC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595443803 347304455 /nfs/dbraw/zinc/30/44/55/347304455.db2.gz YJTAJNLETRJWRX-SFHVURJKSA-N 1 1 286.419 3.239 20 30 CGEDMO N#Cc1ccc(CC[N@@H+](CC2CC2)C2CCC2)cc1 ZINC000595467984 347307611 /nfs/dbraw/zinc/30/76/11/347307611.db2.gz WJTBWAKXPLWVFZ-UHFFFAOYSA-N 1 1 254.377 3.365 20 30 CGEDMO Cc1cc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)nc(C)n1 ZINC000595551923 347318491 /nfs/dbraw/zinc/31/84/91/347318491.db2.gz ZWFPMSNBWHNIPZ-ZDUSSCGKSA-N 1 1 280.375 3.158 20 30 CGEDMO Cc1cc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)nc(C)n1 ZINC000595551923 347318492 /nfs/dbraw/zinc/31/84/92/347318492.db2.gz ZWFPMSNBWHNIPZ-ZDUSSCGKSA-N 1 1 280.375 3.158 20 30 CGEDMO COc1cc(OC[C@@H]2CCCC[N@H+]2C(C)C)ccc1C#N ZINC000596275978 347409307 /nfs/dbraw/zinc/40/93/07/347409307.db2.gz YNYDLDUGVKJRGY-HNNXBMFYSA-N 1 1 288.391 3.209 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1csc([N+](=O)[O-])c1 ZINC000595844570 347367306 /nfs/dbraw/zinc/36/73/06/347367306.db2.gz GNPYEQINYVWXKN-TXEJJXNPSA-N 1 1 264.350 3.339 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCC(C)(C)C#N)C[C@](C)(C(F)F)O1 ZINC000595913205 347372844 /nfs/dbraw/zinc/37/28/44/347372844.db2.gz CVSSSVHUCNMRET-BXUZGUMPSA-N 1 1 274.355 3.061 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000596593725 347484023 /nfs/dbraw/zinc/48/40/23/347484023.db2.gz RMGFAKRVRJAMIM-AWEZNQCLSA-N 1 1 257.381 3.404 20 30 CGEDMO Cc1cc(C#N)ccc1-c1ccc(C[NH+]2CCOCC2)cc1 ZINC000596637332 347495018 /nfs/dbraw/zinc/49/50/18/347495018.db2.gz UBMRGQQSDQAWLY-UHFFFAOYSA-N 1 1 292.382 3.366 20 30 CGEDMO CC(C)[N@H+](CCC#N)Cc1cc2ccncc2s1 ZINC000596988432 347524685 /nfs/dbraw/zinc/52/46/85/347524685.db2.gz XQTAHVXFXDNCFY-UHFFFAOYSA-N 1 1 259.378 3.420 20 30 CGEDMO CC(C)[N@@H+](CCC#N)Cc1cc2ccncc2s1 ZINC000596988432 347524688 /nfs/dbraw/zinc/52/46/88/347524688.db2.gz XQTAHVXFXDNCFY-UHFFFAOYSA-N 1 1 259.378 3.420 20 30 CGEDMO CCC[N@@H+](Cc1cnc2n1CCC2)Cc1ccc(C#N)cc1 ZINC000596984914 347524745 /nfs/dbraw/zinc/52/47/45/347524745.db2.gz XNLAZLWWODTYNO-UHFFFAOYSA-N 1 1 294.402 3.113 20 30 CGEDMO CC[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)C[C@H](C)C#N ZINC000596992477 347525241 /nfs/dbraw/zinc/52/52/41/347525241.db2.gz SQENDIMKVVHTIC-CQSZACIVSA-N 1 1 267.376 3.223 20 30 CGEDMO CC[N@H+](Cc1ccc(C2(C#N)CC2)cc1)C[C@H](C)C#N ZINC000596992477 347525242 /nfs/dbraw/zinc/52/52/42/347525242.db2.gz SQENDIMKVVHTIC-CQSZACIVSA-N 1 1 267.376 3.223 20 30 CGEDMO C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)CCN1C ZINC000597012196 347527650 /nfs/dbraw/zinc/52/76/50/347527650.db2.gz PDYUSLLFXOMUFO-YJBOKZPZSA-N 1 1 297.446 3.156 20 30 CGEDMO C[C@H]1C[C@@H](N(C)Cc2ccc(C3(C#N)CC3)cc2)CC[N@@H+]1C ZINC000597012196 347527671 /nfs/dbraw/zinc/52/76/71/347527671.db2.gz PDYUSLLFXOMUFO-YJBOKZPZSA-N 1 1 297.446 3.156 20 30 CGEDMO C[C@H]1C[C@@H](N(C)Cc2ccc(C3(C#N)CC3)cc2)CC[N@H+]1C ZINC000597012196 347527674 /nfs/dbraw/zinc/52/76/74/347527674.db2.gz PDYUSLLFXOMUFO-YJBOKZPZSA-N 1 1 297.446 3.156 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3CCOCC4(CCC4)C3)cc2)CC1 ZINC000597084456 347535031 /nfs/dbraw/zinc/53/50/31/347535031.db2.gz UHYNMVNJCCSUND-UHFFFAOYSA-N 1 1 296.414 3.244 20 30 CGEDMO COC[C@@H](C)Oc1ccc(C[N@H+](C)CC(C)(C)C#N)cc1 ZINC000597135174 347538858 /nfs/dbraw/zinc/53/88/58/347538858.db2.gz HVLLOZKFVCTMJN-CQSZACIVSA-N 1 1 290.407 3.082 20 30 CGEDMO COC[C@@H](C)Oc1ccc(C[N@@H+](C)CC(C)(C)C#N)cc1 ZINC000597135174 347538862 /nfs/dbraw/zinc/53/88/62/347538862.db2.gz HVLLOZKFVCTMJN-CQSZACIVSA-N 1 1 290.407 3.082 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1CCN(C)C1 ZINC000597156083 347541523 /nfs/dbraw/zinc/54/15/23/347541523.db2.gz WRCJCYXKCICMIJ-GOSISDBHSA-N 1 1 297.446 3.158 20 30 CGEDMO CCCN(Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000597156083 347541526 /nfs/dbraw/zinc/54/15/26/347541526.db2.gz WRCJCYXKCICMIJ-GOSISDBHSA-N 1 1 297.446 3.158 20 30 CGEDMO CCCN(Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000597156083 347541529 /nfs/dbraw/zinc/54/15/29/347541529.db2.gz WRCJCYXKCICMIJ-GOSISDBHSA-N 1 1 297.446 3.158 20 30 CGEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H](C4CCC4)C3)n2c1 ZINC000597227887 347557667 /nfs/dbraw/zinc/55/76/67/347557667.db2.gz IAVJDEVOCBPSCK-MRXNPFEDSA-N 1 1 294.402 3.218 20 30 CGEDMO COc1ccc(C[C@H](C)C[N@H+]2CC[C@](C)(C#N)C2)cc1F ZINC000597231402 347558724 /nfs/dbraw/zinc/55/87/24/347558724.db2.gz NIUUAZXFGUYHFB-SUMWQHHRSA-N 1 1 290.382 3.248 20 30 CGEDMO CCC(CC)CCC[N@@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000597232587 347560100 /nfs/dbraw/zinc/56/01/00/347560100.db2.gz VQPAWWHZZPDGGA-UHFFFAOYSA-N 1 1 299.422 3.249 20 30 CGEDMO C[C@H](C[NH+]1CC(CC#N)C1)c1cccc(Br)c1 ZINC000597194653 347548832 /nfs/dbraw/zinc/54/88/32/347548832.db2.gz VMNFVCKALTYMTP-LLVKDONJSA-N 1 1 293.208 3.398 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([NH2+][C@@H](C(F)F)C2CCCCC2)C1 ZINC000598650249 347675463 /nfs/dbraw/zinc/67/54/63/347675463.db2.gz JQGJDYAGKAXVDV-RAIGVLPGSA-N 1 1 256.340 3.482 20 30 CGEDMO Cc1nccnc1C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000598678650 347677576 /nfs/dbraw/zinc/67/75/76/347677576.db2.gz KBTBCZLJCIWLNM-UHFFFAOYSA-N 1 1 280.375 3.067 20 30 CGEDMO C[C@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc(C#N)c1 ZINC000598966453 347701693 /nfs/dbraw/zinc/70/16/93/347701693.db2.gz XLXPOSGMBHVZGW-XJKSGUPXSA-N 1 1 271.408 3.082 20 30 CGEDMO C[C@H]([NH2+][C@@H]1CCN(C)C(C)(C)C1)c1cccc(C#N)c1 ZINC000598966453 347701698 /nfs/dbraw/zinc/70/16/98/347701698.db2.gz XLXPOSGMBHVZGW-XJKSGUPXSA-N 1 1 271.408 3.082 20 30 CGEDMO COc1cc(C[NH2+][C@@H]2CCCc3scnc32)ccc1C#N ZINC000599047110 347710064 /nfs/dbraw/zinc/71/00/64/347710064.db2.gz POSNDGXEBJFLIU-CYBMUJFWSA-N 1 1 299.399 3.191 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000598584961 347665953 /nfs/dbraw/zinc/66/59/53/347665953.db2.gz LCIHYZDGBBKWSF-HOTGVXAUSA-N 1 1 272.392 3.124 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000598584940 347665959 /nfs/dbraw/zinc/66/59/59/347665959.db2.gz JTEKLLARHFTGRT-MRXNPFEDSA-N 1 1 290.382 3.091 20 30 CGEDMO CCC[N@H+](Cc1ccc(F)cc1)C[C@H](O)CC(C)(C)C#N ZINC000598586298 347666690 /nfs/dbraw/zinc/66/66/90/347666690.db2.gz DYSFLRMQLWCUMH-MRXNPFEDSA-N 1 1 292.398 3.338 20 30 CGEDMO C[N@@H+](CCCCc1ccccc1)C[C@H](O)CC(C)(C)C#N ZINC000598586677 347666722 /nfs/dbraw/zinc/66/67/22/347666722.db2.gz WGJGRWQOJIOKIL-QGZVFWFLSA-N 1 1 288.435 3.242 20 30 CGEDMO Cc1cccc([C@H]2CCC[N@H+]2C[C@@H](O)CC(C)(C)C#N)c1 ZINC000598586199 347666789 /nfs/dbraw/zinc/66/67/89/347666789.db2.gz QEMPGFCOWDSQEY-DLBZAZTESA-N 1 1 286.419 3.433 20 30 CGEDMO Cc1ccc([C@@H]2CCC[N@H+]2C[C@H](O)CC(C)(C)C#N)cc1 ZINC000598585007 347666956 /nfs/dbraw/zinc/66/69/56/347666956.db2.gz NHGFKGSLYCLQQB-SJORKVTESA-N 1 1 286.419 3.433 20 30 CGEDMO Cc1cccc([C@@H]2CCC[N@H+]2C[C@@H](O)CC(C)(C)C#N)c1 ZINC000598586201 347667008 /nfs/dbraw/zinc/66/70/08/347667008.db2.gz QEMPGFCOWDSQEY-IRXDYDNUSA-N 1 1 286.419 3.433 20 30 CGEDMO CC(C)[N@H+](Cc1cccs1)C[C@H](O)CC(C)(C)C#N ZINC000598586941 347667059 /nfs/dbraw/zinc/66/70/59/347667059.db2.gz KQTYXXQYWBLWIY-CYBMUJFWSA-N 1 1 280.437 3.259 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000598587759 347667689 /nfs/dbraw/zinc/66/76/89/347667689.db2.gz VMIRJWHGUIICRL-JKSUJKDBSA-N 1 1 290.382 3.263 20 30 CGEDMO CC[C@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598593256 347668356 /nfs/dbraw/zinc/66/83/56/347668356.db2.gz RJRAGHPEBVKUFU-RDJZCZTQSA-N 1 1 286.419 3.297 20 30 CGEDMO CC(C)C[C@@H]1CCC[N@@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598594098 347668499 /nfs/dbraw/zinc/66/84/99/347668499.db2.gz YXBLCYNOPWAWND-LSDHHAIUSA-N 1 1 266.429 3.045 20 30 CGEDMO CC[N@@H+](Cc1ccc(OC)c(OC2CC2)c1)C[C@@H](C)C#N ZINC000600113836 347781227 /nfs/dbraw/zinc/78/12/27/347781227.db2.gz WEWKGFKSCMAKHR-ZDUSSCGKSA-N 1 1 288.391 3.218 20 30 CGEDMO CC[N@H+](Cc1ccc(OC)c(OC2CC2)c1)C[C@@H](C)C#N ZINC000600113836 347781230 /nfs/dbraw/zinc/78/12/30/347781230.db2.gz WEWKGFKSCMAKHR-ZDUSSCGKSA-N 1 1 288.391 3.218 20 30 CGEDMO C=CC[N@H+](CCCCC(=O)OC)CC1CCCCC1 ZINC000599291975 347732703 /nfs/dbraw/zinc/73/27/03/347732703.db2.gz BDVNVPLTJWCFSX-UHFFFAOYSA-N 1 1 267.413 3.398 20 30 CGEDMO Cc1ccc(C[N@H+]2CCCC3(CCOCC3)C2)cc1C#N ZINC000599298972 347733400 /nfs/dbraw/zinc/73/34/00/347733400.db2.gz CHTMUPYZKXVXDY-UHFFFAOYSA-N 1 1 284.403 3.259 20 30 CGEDMO Cc1ccc(C[N@H+](C(C)C)C2CCOCC2)cc1C#N ZINC000599331142 347736174 /nfs/dbraw/zinc/73/61/74/347736174.db2.gz CLAWAQKTXIEZSY-UHFFFAOYSA-N 1 1 272.392 3.256 20 30 CGEDMO CSC[C@@H]1CCC[N@@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599426745 347743860 /nfs/dbraw/zinc/74/38/60/347743860.db2.gz OOPXQZCRGHKLME-OAHLLOKOSA-N 1 1 274.433 3.442 20 30 CGEDMO Cc1ccc(Cn2c[nH+]c3c2C[C@H](C)[C@H](C)C3)cc1C#N ZINC000599431907 347744529 /nfs/dbraw/zinc/74/45/29/347744529.db2.gz SVIISEDCHUQLIW-KGLIPLIRSA-N 1 1 279.387 3.482 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cc(C(=O)OC)sc2C)C1 ZINC000599526963 347750688 /nfs/dbraw/zinc/75/06/88/347750688.db2.gz YQPBDOFEHWICJJ-LBPRGKRZSA-N 1 1 279.405 3.241 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CCCCC(=O)OC(C)(C)C)C1 ZINC000599529016 347751338 /nfs/dbraw/zinc/75/13/38/347751338.db2.gz KGNSUCZOYWPMJU-CQSZACIVSA-N 1 1 267.413 3.396 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000599530021 347751412 /nfs/dbraw/zinc/75/14/12/347751412.db2.gz SEVJQLDQDVIASF-LBPRGKRZSA-N 1 1 276.336 3.001 20 30 CGEDMO CC1(C)[C@H](c2cccc(F)c2)CC[N@H+]1CCOCCC#N ZINC000599629608 347759415 /nfs/dbraw/zinc/75/94/15/347759415.db2.gz JLJRTYOOCXDRDW-INIZCTEOSA-N 1 1 290.382 3.324 20 30 CGEDMO CCOCC[N@H+](CC1(C#N)CC1)[C@H]1CCc2ccccc21 ZINC000599626735 347759446 /nfs/dbraw/zinc/75/94/46/347759446.db2.gz ZJFFQXKYHUIOTJ-KRWDZBQOSA-N 1 1 284.403 3.316 20 30 CGEDMO CCOCC[N@@H+](CC1(C#N)CC1)[C@H]1CCc2ccccc21 ZINC000599626735 347759449 /nfs/dbraw/zinc/75/94/49/347759449.db2.gz ZJFFQXKYHUIOTJ-KRWDZBQOSA-N 1 1 284.403 3.316 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCC(F)(F)C[C@H]2C)cc1C#N ZINC000599629275 347759744 /nfs/dbraw/zinc/75/97/44/347759744.db2.gz ZLPOBKONKNJQST-GFCCVEGCSA-N 1 1 264.319 3.486 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](c3ccc(O)cc3)C2)s1 ZINC000600214280 347794520 /nfs/dbraw/zinc/79/45/20/347794520.db2.gz OJTWTIHGCPCNMB-CYBMUJFWSA-N 1 1 284.384 3.315 20 30 CGEDMO Cc1ccc(C[N@H+]2CCc3c(CC#N)cccc3C2)o1 ZINC000600215042 347794576 /nfs/dbraw/zinc/79/45/76/347794576.db2.gz XYBVAIYHZCJLQM-UHFFFAOYSA-N 1 1 266.344 3.212 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1ccccc1CC(F)(F)F ZINC000600613726 347814218 /nfs/dbraw/zinc/81/42/18/347814218.db2.gz AHTOGMOJQUMMBU-LBPRGKRZSA-N 1 1 295.308 3.325 20 30 CGEDMO COc1cc(C[NH2+]CC2(C#N)CCC2)ccc1Cl ZINC000600165320 347787518 /nfs/dbraw/zinc/78/75/18/347787518.db2.gz RYTAKWAYIKIMEN-UHFFFAOYSA-N 1 1 264.756 3.132 20 30 CGEDMO Cc1cn(Cc2ccccc2C(C)(C)C#N)c(C)[nH+]1 ZINC000601080012 347865323 /nfs/dbraw/zinc/86/53/23/347865323.db2.gz KSGHKDKLYKYBME-UHFFFAOYSA-N 1 1 253.349 3.349 20 30 CGEDMO CCc1ccc(C[N@@H+](C)Cc2cccc(C#N)n2)cc1 ZINC000602433595 347957342 /nfs/dbraw/zinc/95/73/42/347957342.db2.gz MVFVHABWRVHYPI-UHFFFAOYSA-N 1 1 265.360 3.148 20 30 CGEDMO COc1ccc([C@H](C)[N@@H+](C)Cc2cccc(C#N)n2)cc1 ZINC000602433699 347957426 /nfs/dbraw/zinc/95/74/26/347957426.db2.gz AWYATHDVOXPQCC-ZDUSSCGKSA-N 1 1 281.359 3.155 20 30 CGEDMO CC[C@H](C)[C@@H](C[N@@H+](C)Cc1ccc(C#N)cc1)OC ZINC000602438019 347957961 /nfs/dbraw/zinc/95/79/61/347957961.db2.gz GDYYVRKMYAJCPO-XJKSGUPXSA-N 1 1 260.381 3.051 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)n1 ZINC000602448389 347959961 /nfs/dbraw/zinc/95/99/61/347959961.db2.gz GQFFRFNEBJLPPQ-SFHVURJKSA-N 1 1 295.361 3.299 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000602450849 347960273 /nfs/dbraw/zinc/96/02/73/347960273.db2.gz KVWOKFJOAISEND-QWHCGFSZSA-N 1 1 264.394 3.061 20 30 CGEDMO COc1ccc([C@@H]2CC[N@@H+](C[C@@H](C)CCC#N)C2)cc1 ZINC000602465501 347963170 /nfs/dbraw/zinc/96/31/70/347963170.db2.gz RDSYARPOUZECLR-GOEBONIOSA-N 1 1 272.392 3.424 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(=O)[nH]c1 ZINC000602480489 347966115 /nfs/dbraw/zinc/96/61/15/347966115.db2.gz CFTGBANDPWMCGI-DLBZAZTESA-N 1 1 293.370 3.059 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCC[C@@H]1CCO1 ZINC000602486563 347967675 /nfs/dbraw/zinc/96/76/75/347967675.db2.gz UPEHQJBIRLIAKN-KURKYZTESA-N 1 1 284.403 3.327 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000602613804 347994753 /nfs/dbraw/zinc/99/47/53/347994753.db2.gz QDASERNQJOYSQW-GOEBONIOSA-N 1 1 264.413 3.207 20 30 CGEDMO C[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602619557 347995392 /nfs/dbraw/zinc/99/53/92/347995392.db2.gz HYBXKOWXAAEVCY-ZWNOBZJWSA-N 1 1 283.297 3.116 20 30 CGEDMO C[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602619557 347995395 /nfs/dbraw/zinc/99/53/95/347995395.db2.gz HYBXKOWXAAEVCY-ZWNOBZJWSA-N 1 1 283.297 3.116 20 30 CGEDMO CCC[N@@H+](CCN1CCCCC1)C[C@H](C)CCC#N ZINC000602657528 348002765 /nfs/dbraw/zinc/00/27/65/348002765.db2.gz ZOJKVZXMGNDQNF-MRXNPFEDSA-N 1 1 265.445 3.124 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000602672928 348005905 /nfs/dbraw/zinc/00/59/05/348005905.db2.gz RXGAGICUHYYULS-ZFWWWQNUSA-N 1 1 257.381 3.404 20 30 CGEDMO N#Cc1cccc(C[NH+]2CC(c3ccc(Cl)cc3)C2)n1 ZINC000602680979 348008412 /nfs/dbraw/zinc/00/84/12/348008412.db2.gz IVJINWQEBKFAGE-UHFFFAOYSA-N 1 1 283.762 3.206 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCCC[C@H]2C2CCC2)n1 ZINC000602703634 348012607 /nfs/dbraw/zinc/01/26/07/348012607.db2.gz RQDQVKFPYGZOJZ-INIZCTEOSA-N 1 1 255.365 3.108 20 30 CGEDMO C[C@@]1(c2cccc(F)c2)CC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602700716 348012843 /nfs/dbraw/zinc/01/28/43/348012843.db2.gz VTHXMSLXAKJDOP-GOSISDBHSA-N 1 1 295.361 3.256 20 30 CGEDMO COc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)c(Cl)cc1O ZINC000602705207 348013505 /nfs/dbraw/zinc/01/35/05/348013505.db2.gz DNIOGZBHCICVHF-NSHDSACASA-N 1 1 294.782 3.180 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)c(Cl)cc1O ZINC000602705207 348013509 /nfs/dbraw/zinc/01/35/09/348013509.db2.gz DNIOGZBHCICVHF-NSHDSACASA-N 1 1 294.782 3.180 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000602711542 348015601 /nfs/dbraw/zinc/01/56/01/348015601.db2.gz PXCANQUJAXHARN-MJGOQNOKSA-N 1 1 299.462 3.175 20 30 CGEDMO C[C@H](CCC#N)CN1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000602711542 348015603 /nfs/dbraw/zinc/01/56/03/348015603.db2.gz PXCANQUJAXHARN-MJGOQNOKSA-N 1 1 299.462 3.175 20 30 CGEDMO C[C@H](CCC#N)CN1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000602711542 348015606 /nfs/dbraw/zinc/01/56/06/348015606.db2.gz PXCANQUJAXHARN-MJGOQNOKSA-N 1 1 299.462 3.175 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000602720213 348017071 /nfs/dbraw/zinc/01/70/71/348017071.db2.gz DUUDXKUWLSPINN-CYBMUJFWSA-N 1 1 286.423 3.072 20 30 CGEDMO C[C@H]1C[N@H+](CC2(CC#N)CC2)C[C@@H](c2ccccc2)O1 ZINC000602761901 348024508 /nfs/dbraw/zinc/02/45/08/348024508.db2.gz BSLRPBMKTBPWHV-HOCLYGCPSA-N 1 1 270.376 3.142 20 30 CGEDMO C[C@H]1C[N@@H+](CC2(CC#N)CC2)C[C@@H](c2ccccc2)O1 ZINC000602761901 348024511 /nfs/dbraw/zinc/02/45/11/348024511.db2.gz BSLRPBMKTBPWHV-HOCLYGCPSA-N 1 1 270.376 3.142 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)CC1(CC#N)CC1 ZINC000602770078 348026136 /nfs/dbraw/zinc/02/61/36/348026136.db2.gz VBTJSOIFDWLNDM-UHFFFAOYSA-N 1 1 265.360 3.240 20 30 CGEDMO CN(C)CC[C@H]([NH2+]C1CCC(C#N)CC1)C(C)(C)C ZINC000602544720 347979359 /nfs/dbraw/zinc/97/93/59/347979359.db2.gz JZJKRMQXZITWHX-NRXISQOPSA-N 1 1 265.445 3.025 20 30 CGEDMO Cc1nc([C@H]2CCC[N@@H+]2CC2(CC#N)CC2)cs1 ZINC000602811573 348032652 /nfs/dbraw/zinc/03/26/52/348032652.db2.gz NADDXFONJKBNFD-CYBMUJFWSA-N 1 1 261.394 3.282 20 30 CGEDMO Cc1nc([C@H]2CCC[N@H+]2CC2(CC#N)CC2)cs1 ZINC000602811573 348032655 /nfs/dbraw/zinc/03/26/55/348032655.db2.gz NADDXFONJKBNFD-CYBMUJFWSA-N 1 1 261.394 3.282 20 30 CGEDMO C[C@H]1CCC[N@H+](CC2(CC#N)CC2)[C@H]1C(=O)OC(C)(C)C ZINC000602846564 348036265 /nfs/dbraw/zinc/03/62/65/348036265.db2.gz PDUVBYZNCHESPY-UONOGXRCSA-N 1 1 292.423 3.122 20 30 CGEDMO C[C@H]1CCC[N@@H+](CC2(CC#N)CC2)[C@H]1C(=O)OC(C)(C)C ZINC000602846564 348036268 /nfs/dbraw/zinc/03/62/68/348036268.db2.gz PDUVBYZNCHESPY-UONOGXRCSA-N 1 1 292.423 3.122 20 30 CGEDMO N#CCC1(C[NH2+][C@@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000602902125 348041845 /nfs/dbraw/zinc/04/18/45/348041845.db2.gz GUICJFQZTUNENR-LBPRGKRZSA-N 1 1 299.201 3.310 20 30 CGEDMO C[N@H+](Cc1cccc(OC(F)F)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602975474 348048406 /nfs/dbraw/zinc/04/84/06/348048406.db2.gz BHQVRXZAOSVHJG-TZMCWYRMSA-N 1 1 280.318 3.412 20 30 CGEDMO C[N@@H+](Cc1cccc(OC(F)F)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602975474 348048407 /nfs/dbraw/zinc/04/84/07/348048407.db2.gz BHQVRXZAOSVHJG-TZMCWYRMSA-N 1 1 280.318 3.412 20 30 CGEDMO C[C@H](CC#N)[NH2+]CCOc1ccc2ccccc2c1 ZINC000609030751 348334811 /nfs/dbraw/zinc/33/48/11/348334811.db2.gz FNCUPDRLLMBLAC-CYBMUJFWSA-N 1 1 254.333 3.110 20 30 CGEDMO CC(C)c1cc(C[NH2+]Cc2ccc(C#N)s2)on1 ZINC000610511481 348386667 /nfs/dbraw/zinc/38/66/67/348386667.db2.gz PTQSIBPQGRXLIY-UHFFFAOYSA-N 1 1 261.350 3.021 20 30 CGEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccnc(C#N)c2)cc1 ZINC000610991926 348414223 /nfs/dbraw/zinc/41/42/23/348414223.db2.gz URWKGYSBTSUAHJ-GOSISDBHSA-N 1 1 293.370 3.299 20 30 CGEDMO COCC[N@@H+](Cc1ccnc(C#N)c1)[C@@H](C)c1ccccc1 ZINC000610992152 348414828 /nfs/dbraw/zinc/41/48/28/348414828.db2.gz FYIHQLGCQXPZQG-HNNXBMFYSA-N 1 1 295.386 3.163 20 30 CGEDMO N#Cc1cc(C[N@@H+](C2CC2)C2CCCCC2)ccn1 ZINC000610992047 348414915 /nfs/dbraw/zinc/41/49/15/348414915.db2.gz RUDVUEHOHUKFAD-UHFFFAOYSA-N 1 1 255.365 3.250 20 30 CGEDMO CC[N@H+]1C[C@@H](C)N(c2cc(C#N)nc3ccccc32)C[C@@H]1C ZINC000611222009 348428576 /nfs/dbraw/zinc/42/85/76/348428576.db2.gz CCDZSBGQFUJAEL-UONOGXRCSA-N 1 1 294.402 3.025 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1 ZINC000611350560 348440923 /nfs/dbraw/zinc/44/09/23/348440923.db2.gz QNTZYOZLFHCSMO-ROUUACIJSA-N 1 1 284.403 3.197 20 30 CGEDMO CC#CC[N@@H+](C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273368239 192128046 /nfs/dbraw/zinc/12/80/46/192128046.db2.gz BLBGAEKILKMPNA-CVEARBPZSA-N 1 1 261.340 3.001 20 30 CGEDMO CC#CC[N@@H+](C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273368244 192128080 /nfs/dbraw/zinc/12/80/80/192128080.db2.gz BLBGAEKILKMPNA-HOTGVXAUSA-N 1 1 261.340 3.001 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccncc1Cl)c1cccc(C#N)c1 ZINC000611387969 348443797 /nfs/dbraw/zinc/44/37/97/348443797.db2.gz BIHDVXVIFKCMJB-LLVKDONJSA-N 1 1 271.751 3.457 20 30 CGEDMO C[N@@H+](CCN[C@H]1CCCc2cc(C#N)ccc21)C1CCCC1 ZINC000611392483 348445209 /nfs/dbraw/zinc/44/52/09/348445209.db2.gz XVVHKGGPMOFISP-IBGZPJMESA-N 1 1 297.446 3.400 20 30 CGEDMO CN(CC[NH2+][C@H]1CCCc2cc(C#N)ccc21)C1CCCC1 ZINC000611392483 348445211 /nfs/dbraw/zinc/44/52/11/348445211.db2.gz XVVHKGGPMOFISP-IBGZPJMESA-N 1 1 297.446 3.400 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ncccc1F ZINC000611394263 348445720 /nfs/dbraw/zinc/44/57/20/348445720.db2.gz AHQUMIHDSNVZNH-INIZCTEOSA-N 1 1 281.334 3.260 20 30 CGEDMO N#CC1(C[NH+]2CCC(c3ccc(F)c(F)c3)CC2)CC1 ZINC000611429496 348451307 /nfs/dbraw/zinc/45/13/07/348451307.db2.gz AXMUAANDGNVISU-UHFFFAOYSA-N 1 1 276.330 3.448 20 30 CGEDMO C[C@H](NCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)cc1 ZINC000611438123 348452083 /nfs/dbraw/zinc/45/20/83/348452083.db2.gz LVNSUXCEFOMMBK-XHSDSOJGSA-N 1 1 285.435 3.187 20 30 CGEDMO C[C@H](NCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)cc1 ZINC000611438123 348452086 /nfs/dbraw/zinc/45/20/86/348452086.db2.gz LVNSUXCEFOMMBK-XHSDSOJGSA-N 1 1 285.435 3.187 20 30 CGEDMO COc1cc(C)c(C[NH2+]Cc2ccc(C#N)cc2F)c(C)n1 ZINC000611614968 348463136 /nfs/dbraw/zinc/46/31/36/348463136.db2.gz OGFTZOJZLBXDAD-UHFFFAOYSA-N 1 1 299.349 3.008 20 30 CGEDMO Cc1c(Cl)cnc(N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c1C#N ZINC000612085565 348492634 /nfs/dbraw/zinc/49/26/34/348492634.db2.gz XJQAESHFOIWPHK-QMTHXVAHSA-N 1 1 292.814 3.056 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](C[C@H]2CCc3ccccc3C2)C1 ZINC000612165229 348499434 /nfs/dbraw/zinc/49/94/34/348499434.db2.gz LTJGMDTWAHFUJB-YJBOKZPZSA-N 1 1 268.404 3.417 20 30 CGEDMO CC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccn(C)n1 ZINC000612572411 348528809 /nfs/dbraw/zinc/52/88/09/348528809.db2.gz HNKHUIQSTISMPY-WFASDCNBSA-N 1 1 268.364 3.094 20 30 CGEDMO CC(C)(C)c1ccc(C#N)c(N[C@@H]2CC[N@@H+](CC3CC3)C2)n1 ZINC000613423163 348600124 /nfs/dbraw/zinc/60/01/24/348600124.db2.gz UHKVZOHDPAKVNV-OAHLLOKOSA-N 1 1 298.434 3.147 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000614171565 348654336 /nfs/dbraw/zinc/65/43/36/348654336.db2.gz RGCJLSICAOMEBU-AEFFLSMTSA-N 1 1 298.430 3.489 20 30 CGEDMO C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@H]1CCSC1 ZINC000614177496 348655249 /nfs/dbraw/zinc/65/52/49/348655249.db2.gz PEYVDHPFMHSAJG-HNNXBMFYSA-N 1 1 274.433 3.425 20 30 CGEDMO CC[N@H+]1CCN(Cc2ccc(C(C)(C)C#N)cc2)C[C@H]1C ZINC000614177771 348655455 /nfs/dbraw/zinc/65/54/55/348655455.db2.gz YOTZIKYLIMHDIV-OAHLLOKOSA-N 1 1 285.435 3.014 20 30 CGEDMO CCN1CC[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@H]1C ZINC000614177771 348655456 /nfs/dbraw/zinc/65/54/56/348655456.db2.gz YOTZIKYLIMHDIV-OAHLLOKOSA-N 1 1 285.435 3.014 20 30 CGEDMO CCN1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@H]1C ZINC000614177771 348655457 /nfs/dbraw/zinc/65/54/57/348655457.db2.gz YOTZIKYLIMHDIV-OAHLLOKOSA-N 1 1 285.435 3.014 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000614407657 348674670 /nfs/dbraw/zinc/67/46/70/348674670.db2.gz VPDDSSCFFVMHQN-IRXDYDNUSA-N 1 1 286.419 3.096 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C(F)F)C1 ZINC000615444969 348740329 /nfs/dbraw/zinc/74/03/29/348740329.db2.gz RAIUEDILZFYPJA-ZWNOBZJWSA-N 1 1 250.292 3.206 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CCCC1 ZINC000617005111 348897035 /nfs/dbraw/zinc/89/70/35/348897035.db2.gz CRVBEZPRYJFCPU-AWEZNQCLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000617781939 349010805 /nfs/dbraw/zinc/01/08/05/349010805.db2.gz VVJXYKACEHLESC-RDJZCZTQSA-N 1 1 290.451 3.208 20 30 CGEDMO Cn1ccnc1[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000618562049 349106050 /nfs/dbraw/zinc/10/60/50/349106050.db2.gz UAOPQKVEYYHAJX-USXIJHARSA-N 1 1 294.402 3.181 20 30 CGEDMO Cn1ccnc1[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000618562047 349106181 /nfs/dbraw/zinc/10/61/81/349106181.db2.gz UAOPQKVEYYHAJX-DJIMGWMZSA-N 1 1 294.402 3.181 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@@H](OC(F)F)C2)ccc1C#N ZINC000618602851 349119342 /nfs/dbraw/zinc/11/93/42/349119342.db2.gz QOISMGGZJSPLBM-CQSZACIVSA-N 1 1 280.318 3.070 20 30 CGEDMO CC(C)[C@H](CO)[N@H+](Cc1ccccc1)C[C@@H](C)CCC#N ZINC000618888106 349175394 /nfs/dbraw/zinc/17/53/94/349175394.db2.gz NLMDSTYKFIZCPH-WMZOPIPTSA-N 1 1 288.435 3.445 20 30 CGEDMO CCc1[nH+]c2ccccc2c(NCC(C)(C)C#N)c1C ZINC000619587443 349260770 /nfs/dbraw/zinc/26/07/70/349260770.db2.gz FODPEGKMYBMCGJ-UHFFFAOYSA-N 1 1 267.376 3.489 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2nc(-c3ccccc3)no2)C1 ZINC000625699237 350197830 /nfs/dbraw/zinc/19/78/30/350197830.db2.gz BQUVZCUNRZUWCP-ZDUSSCGKSA-N 1 1 269.348 3.135 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CCCN(CC)CC(F)(F)F)C1 ZINC000625702776 350199445 /nfs/dbraw/zinc/19/94/45/350199445.db2.gz OWGHFIIZXDOPBD-CYBMUJFWSA-N 1 1 278.362 3.159 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cn3cccc(C)c3n2)C1 ZINC000625702816 350199806 /nfs/dbraw/zinc/19/98/06/350199806.db2.gz JDINVDKHRLVRSH-AWEZNQCLSA-N 1 1 255.365 3.041 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](C[C@@H]2CCCCN2C(C)C)C1 ZINC000625701880 350199943 /nfs/dbraw/zinc/19/99/43/350199943.db2.gz LYCUTKSZKPQBTH-CVEARBPZSA-N 1 1 250.430 3.147 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625804103 350215783 /nfs/dbraw/zinc/21/57/83/350215783.db2.gz WMMVSBGSCZTYOF-SFHVURJKSA-N 1 1 285.387 3.453 20 30 CGEDMO C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CC12CCC2 ZINC000271351582 191090491 /nfs/dbraw/zinc/09/04/91/191090491.db2.gz OMXYDMAVYHRNBZ-RHSMWYFYSA-N 1 1 284.403 3.104 20 30 CGEDMO C=CC[N@H+](Cc1cc(C)c(Br)cn1)C1CC1 ZINC000628238077 350459572 /nfs/dbraw/zinc/45/95/72/350459572.db2.gz KHYWUKIKQZKNTC-UHFFFAOYSA-N 1 1 281.197 3.303 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccccc2NC(C)=O)C1 ZINC000628405274 350528243 /nfs/dbraw/zinc/52/82/43/350528243.db2.gz HZLDEIKKVGJCHP-AWEZNQCLSA-N 1 1 258.365 3.043 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000628405105 350529015 /nfs/dbraw/zinc/52/90/15/350529015.db2.gz CXLJWSNMDIYNLE-LSDHHAIUSA-N 1 1 257.377 3.451 20 30 CGEDMO C=C1CC(C)(C(=O)NCc2ccccc2-n2cc[nH+]c2C)C1 ZINC000630833069 350896618 /nfs/dbraw/zinc/89/66/18/350896618.db2.gz UOVVRVGAWXTHFO-UHFFFAOYSA-N 1 1 295.386 3.153 20 30 CGEDMO C=CCOc1cccc(CN[C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000634732896 351578063 /nfs/dbraw/zinc/57/80/63/351578063.db2.gz RNKMCLKYXLIASS-MRXNPFEDSA-N 1 1 288.435 3.119 20 30 CGEDMO C[N@@H+](CCc1ccc(F)cc1)Cc1ccc(C#N)s1 ZINC000123663505 187103717 /nfs/dbraw/zinc/10/37/17/187103717.db2.gz LBVUZNMMAZBDAE-UHFFFAOYSA-N 1 1 274.364 3.433 20 30 CGEDMO CC[N@@H+](CCc1ccccc1)Cc1ccc(C#N)o1 ZINC000153697946 188097816 /nfs/dbraw/zinc/09/78/16/188097816.db2.gz XQVFNYRBXQEVFQ-UHFFFAOYSA-N 1 1 254.333 3.216 20 30 CGEDMO CSC[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000292332975 198247337 /nfs/dbraw/zinc/24/73/37/198247337.db2.gz GDWGNACFPTZRBQ-ZDUSSCGKSA-N 1 1 278.396 3.272 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000292378125 198264795 /nfs/dbraw/zinc/26/47/95/198264795.db2.gz RKDZCZWVVIOKLG-JKSUJKDBSA-N 1 1 297.446 3.425 20 30 CGEDMO N#Cc1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc2ccccc12 ZINC000317613740 283110461 /nfs/dbraw/zinc/11/04/61/283110461.db2.gz UAVPEUBXPVIBPV-HUUCEWRRSA-N 1 1 292.386 3.145 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)c1F ZINC000334807803 283205981 /nfs/dbraw/zinc/20/59/81/283205981.db2.gz OCLCIWHFAVCOOA-SJORKVTESA-N 1 1 296.345 3.005 20 30 CGEDMO N#Cc1cccc(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)c1F ZINC000334807803 283205982 /nfs/dbraw/zinc/20/59/82/283205982.db2.gz OCLCIWHFAVCOOA-SJORKVTESA-N 1 1 296.345 3.005 20 30 CGEDMO N#Cc1c(F)cccc1C[NH2+][C@H](CCCO)c1ccccc1 ZINC000428322906 236393316 /nfs/dbraw/zinc/39/33/16/236393316.db2.gz IFCTYAASFAIMCU-GOSISDBHSA-N 1 1 298.361 3.301 20 30 CGEDMO C[C@]12CC[N@@H+](Cc3ccc(C#N)cc3)C[C@H]1C2(F)F ZINC000298229213 200366641 /nfs/dbraw/zinc/36/66/41/200366641.db2.gz HDYPISJTWPRCHA-KGLIPLIRSA-N 1 1 262.303 3.035 20 30 CGEDMO Cc1sc(NC(=O)C[N@H+](C(C)C)C2CC2)c(C#N)c1C ZINC000177016873 189021157 /nfs/dbraw/zinc/02/11/57/189021157.db2.gz OUWPNMKUMSIADA-UHFFFAOYSA-N 1 1 291.420 3.048 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CCCC2(CCOCC2)C1 ZINC000336307007 213148694 /nfs/dbraw/zinc/14/86/94/213148694.db2.gz RYXZEBNLRQAHEQ-UHFFFAOYSA-N 1 1 288.366 3.090 20 30 CGEDMO COC[C@@H]1CCCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439455624 238256426 /nfs/dbraw/zinc/25/64/26/238256426.db2.gz VHGITEIHYLEAKI-CQSZACIVSA-N 1 1 292.810 3.460 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2C3)c(Br)c1 ZINC000181004337 189286386 /nfs/dbraw/zinc/28/63/86/189286386.db2.gz FTCCIVPLYWXOSF-WCQYABFASA-N 1 1 291.192 3.305 20 30 CGEDMO C=CCc1cc(C[N@@H+](C)Cc2ccncc2)cc(OC)c1O ZINC000183748939 189367188 /nfs/dbraw/zinc/36/71/88/189367188.db2.gz ZSYBSFGOMNONFY-UHFFFAOYSA-N 1 1 298.386 3.156 20 30 CGEDMO CC(=O)c1ccc(C#N)c(NCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000302086547 201337190 /nfs/dbraw/zinc/33/71/90/201337190.db2.gz FEQPRTXHQLTASN-AWEZNQCLSA-N 1 1 299.418 3.437 20 30 CGEDMO CC1CCC([N@@H+](C)Cc2cnc3ccc(C#N)cn23)CC1 ZINC000119880903 370718726 /nfs/dbraw/zinc/71/87/26/370718726.db2.gz FWAIYLNERVREKG-UHFFFAOYSA-N 1 1 282.391 3.216 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)C1CCCCC1 ZINC000120559320 370780750 /nfs/dbraw/zinc/78/07/50/370780750.db2.gz CITXJMVBTWJUPJ-UHFFFAOYSA-N 1 1 258.365 3.331 20 30 CGEDMO CO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)C12CCC2 ZINC000451856677 240372545 /nfs/dbraw/zinc/37/25/45/240372545.db2.gz SZOKHPONIWSSTC-HZPDHXFCSA-N 1 1 288.366 3.087 20 30 CGEDMO CC(C)C[N@@H+]1CCC[C@@H](CNCc2ccc(C#N)cc2)C1 ZINC000120843222 370805983 /nfs/dbraw/zinc/80/59/83/370805983.db2.gz CJPVFBYFARSYBS-SFHVURJKSA-N 1 1 285.435 3.016 20 30 CGEDMO CC(C)C[N@H+]1CCC[C@@H](CNCc2ccc(C#N)cc2)C1 ZINC000120843222 370805988 /nfs/dbraw/zinc/80/59/88/370805988.db2.gz CJPVFBYFARSYBS-SFHVURJKSA-N 1 1 285.435 3.016 20 30 CGEDMO Cc1ccc(C#N)cc1NC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000275624704 193089011 /nfs/dbraw/zinc/08/90/11/193089011.db2.gz SNCOPZDRQOEQAI-HZSPNIEDSA-N 1 1 285.391 3.067 20 30 CGEDMO C[C@@]1(c2ccccc2)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000121232448 370842900 /nfs/dbraw/zinc/84/29/00/370842900.db2.gz UMVCWFKZMKZQAS-IBGZPJMESA-N 1 1 292.382 3.306 20 30 CGEDMO C[C@@]1(c2ccccc2)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000121232448 370842903 /nfs/dbraw/zinc/84/29/03/370842903.db2.gz UMVCWFKZMKZQAS-IBGZPJMESA-N 1 1 292.382 3.306 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNc2ccc(F)cc2C#N)C1 ZINC000462787066 242363383 /nfs/dbraw/zinc/36/33/83/242363383.db2.gz HXDUWVLUTXQOPA-OKILXGFUSA-N 1 1 289.398 3.477 20 30 CGEDMO C[N@@H+](CCOc1cccc(Cl)c1)Cc1ccc(C#N)o1 ZINC000121492993 370865408 /nfs/dbraw/zinc/86/54/08/370865408.db2.gz LKUKZUITCOXXOG-UHFFFAOYSA-N 1 1 290.750 3.315 20 30 CGEDMO C=C(Br)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000125072647 370930966 /nfs/dbraw/zinc/93/09/66/370930966.db2.gz INDMXDXKFAVKNF-SNVBAGLBSA-N 1 1 299.168 3.462 20 30 CGEDMO C=CC[NH+](CC=C)Cc1ccc(OCC(F)(F)F)nc1 ZINC000122632577 370906330 /nfs/dbraw/zinc/90/63/30/370906330.db2.gz GJLWSVSVXGASHX-UHFFFAOYSA-N 1 1 286.297 3.197 20 30 CGEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)CNCC1(C#N)CC1 ZINC000574258289 335004521 /nfs/dbraw/zinc/00/45/21/335004521.db2.gz ZVOFDCGFNGDCSQ-UHFFFAOYSA-N 1 1 285.435 3.038 20 30 CGEDMO N#Cc1cccc(C[NH2+]Cc2ccc(Br)o2)c1 ZINC000037748557 369103612 /nfs/dbraw/zinc/10/36/12/369103612.db2.gz MWRKTJRDOMVRRQ-UHFFFAOYSA-N 1 1 291.148 3.204 20 30 CGEDMO CCCC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000048993576 369381464 /nfs/dbraw/zinc/38/14/64/369381464.db2.gz YZCJDZDDALGBGP-UHFFFAOYSA-N 1 1 285.391 3.151 20 30 CGEDMO C#CC[N@@H+](Cc1cnn(CC)c1)[C@H]1CCc2ccccc21 ZINC000127530542 370952419 /nfs/dbraw/zinc/95/24/19/370952419.db2.gz ONGKFIQMPASNNH-SFHVURJKSA-N 1 1 279.387 3.026 20 30 CGEDMO C#CC[N@H+](Cc1cnn(CC)c1)[C@H]1CCc2ccccc21 ZINC000127530542 370952426 /nfs/dbraw/zinc/95/24/26/370952426.db2.gz ONGKFIQMPASNNH-SFHVURJKSA-N 1 1 279.387 3.026 20 30 CGEDMO CC[N@H+](CCC#N)Cc1ccc(N2CCCCC2)cc1 ZINC000127593582 370954762 /nfs/dbraw/zinc/95/47/62/370954762.db2.gz BETPUKDRQALREU-UHFFFAOYSA-N 1 1 271.408 3.412 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1ccc(N2CCCCC2)cc1 ZINC000127593582 370954766 /nfs/dbraw/zinc/95/47/66/370954766.db2.gz BETPUKDRQALREU-UHFFFAOYSA-N 1 1 271.408 3.412 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](CC)[C@@H](C)Cc1ccc(OC)cc1 ZINC000128488299 370964653 /nfs/dbraw/zinc/96/46/53/370964653.db2.gz ZOSTVECZFLQGCA-RDJZCZTQSA-N 1 1 291.435 3.275 20 30 CGEDMO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC000057622514 369543449 /nfs/dbraw/zinc/54/34/49/369543449.db2.gz DGCBUUKFRBBFHR-QGZVFWFLSA-N 1 1 265.360 3.234 20 30 CGEDMO Cn1cccc1[C@H]1CCC[N@H+]1Cc1ccccc1C#N ZINC000057622514 369543455 /nfs/dbraw/zinc/54/34/55/369543455.db2.gz DGCBUUKFRBBFHR-QGZVFWFLSA-N 1 1 265.360 3.234 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000276340758 193293263 /nfs/dbraw/zinc/29/32/63/193293263.db2.gz CGEDRZIJCJQWAZ-LBPRGKRZSA-N 1 1 280.799 3.025 20 30 CGEDMO C=CCOc1ccc(CNCC2([NH+](C)C)CCCC2)cc1 ZINC000061555394 369600689 /nfs/dbraw/zinc/60/06/89/369600689.db2.gz PMBYQQQYAZBJDB-UHFFFAOYSA-N 1 1 288.435 3.215 20 30 CGEDMO C[N@@H+](CCCNc1ccnc(C#N)c1)C1CCCCC1 ZINC000061811749 369606741 /nfs/dbraw/zinc/60/67/41/369606741.db2.gz PGXPMRNIPLXDTF-UHFFFAOYSA-N 1 1 272.396 3.020 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000066899463 369708689 /nfs/dbraw/zinc/70/86/89/369708689.db2.gz XWAOIQIODUZUPG-AWEZNQCLSA-N 1 1 259.349 3.171 20 30 CGEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000072596779 369827411 /nfs/dbraw/zinc/82/74/11/369827411.db2.gz MDSVNZLCUZUPKT-RDJZCZTQSA-N 1 1 297.402 3.151 20 30 CGEDMO CC[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000079054489 369960365 /nfs/dbraw/zinc/96/03/65/369960365.db2.gz UGVRATZYNWFXEX-CQSZACIVSA-N 1 1 285.391 3.009 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@H]1CC[C@H](SCC)C1 ZINC000076069580 369928756 /nfs/dbraw/zinc/92/87/56/369928756.db2.gz DCLVGXGKQNKJRM-GJZGRUSLSA-N 1 1 298.496 3.017 20 30 CGEDMO C=CCCC[N@@H+](C)Cc1nc(CCC(C)C)no1 ZINC000076736401 369941267 /nfs/dbraw/zinc/94/12/67/369941267.db2.gz IZYXCUGSAXZBBU-UHFFFAOYSA-N 1 1 251.374 3.056 20 30 CGEDMO C=CCCC[N@H+](C)Cc1nc(CCC(C)C)no1 ZINC000076736401 369941273 /nfs/dbraw/zinc/94/12/73/369941273.db2.gz IZYXCUGSAXZBBU-UHFFFAOYSA-N 1 1 251.374 3.056 20 30 CGEDMO NC(=[NH+]OCc1cnc(Cl)s1)C1CCCCC1 ZINC000089736819 370046414 /nfs/dbraw/zinc/04/64/14/370046414.db2.gz LATQZNPYMCFMTO-UHFFFAOYSA-N 1 1 273.789 3.166 20 30 CGEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC=C(c2ccc(CC)cc2)CC1 ZINC000093263842 370113567 /nfs/dbraw/zinc/11/35/67/370113567.db2.gz PPNMCBHYGKTSOC-OAHLLOKOSA-N 1 1 298.430 3.029 20 30 CGEDMO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cnccn1 ZINC000090665529 370063913 /nfs/dbraw/zinc/06/39/13/370063913.db2.gz CEMOPLNTOSOIBE-DZGCQCFKSA-N 1 1 266.348 3.172 20 30 CGEDMO CC(C)CO[C@@H]1CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000091964883 370082957 /nfs/dbraw/zinc/08/29/57/370082957.db2.gz QYTNAPNVGHZMSW-CQSZACIVSA-N 1 1 252.402 3.063 20 30 CGEDMO CC[N@@H+](Cc1ccc(OCC(F)F)cc1)C[C@@H](C)C#N ZINC000091982712 370083835 /nfs/dbraw/zinc/08/38/35/370083835.db2.gz YBBYHBVZDMZQGG-LBPRGKRZSA-N 1 1 282.334 3.312 20 30 CGEDMO CC[N@H+](Cc1ccc(OCC(F)F)cc1)C[C@@H](C)C#N ZINC000091982712 370083841 /nfs/dbraw/zinc/08/38/41/370083841.db2.gz YBBYHBVZDMZQGG-LBPRGKRZSA-N 1 1 282.334 3.312 20 30 CGEDMO C=CCOc1ccc(C[N@H+](CCC(=O)OC)C(C)C)cc1 ZINC000093383863 370121898 /nfs/dbraw/zinc/12/18/98/370121898.db2.gz YTFKUXVQDZMPIQ-UHFFFAOYSA-N 1 1 291.391 3.025 20 30 CGEDMO C=CCCC[N@H+](C)Cc1c[nH]nc1-c1ccc(C)o1 ZINC000093533553 370139387 /nfs/dbraw/zinc/13/93/87/370139387.db2.gz GRGKEXOUASLTDC-UHFFFAOYSA-N 1 1 259.353 3.376 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)C[C@H]2CCOC2)cc1Cl ZINC000093839647 370163434 /nfs/dbraw/zinc/16/34/34/370163434.db2.gz HLRKEZRURNOSPB-CQSZACIVSA-N 1 1 295.810 3.373 20 30 CGEDMO Cc1csc(C(C)(C)[NH2+]Cc2cccc(C#N)c2)n1 ZINC000116381652 370557995 /nfs/dbraw/zinc/55/79/95/370557995.db2.gz SFANSAIIKFKJIT-UHFFFAOYSA-N 1 1 271.389 3.348 20 30 CGEDMO CCCC[N@@H+](Cc1cc(C#N)ccc1OC)C1CC1 ZINC000130425014 371033103 /nfs/dbraw/zinc/03/31/03/371033103.db2.gz NVSBTUDFBMBXIH-UHFFFAOYSA-N 1 1 258.365 3.331 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000133296882 371241262 /nfs/dbraw/zinc/24/12/62/371241262.db2.gz NIRCQKTVWMPJDP-JTQLQIEISA-N 1 1 285.160 3.370 20 30 CGEDMO CN1CCC[C@@H](C[N@H+](C)Cc2ccccc2C(C)(C)C#N)C1 ZINC000135234121 371404236 /nfs/dbraw/zinc/40/42/36/371404236.db2.gz ZUWJJCLWISBMSL-MRXNPFEDSA-N 1 1 299.462 3.261 20 30 CGEDMO CN1CCC[C@@H](C[N@@H+](C)Cc2ccccc2C(C)(C)C#N)C1 ZINC000135234121 371404241 /nfs/dbraw/zinc/40/42/41/371404241.db2.gz ZUWJJCLWISBMSL-MRXNPFEDSA-N 1 1 299.462 3.261 20 30 CGEDMO CN(Cc1ccccc1C(C)(C)C#N)C[C@@H]1CCC[N@H+](C)C1 ZINC000135234121 371404244 /nfs/dbraw/zinc/40/42/44/371404244.db2.gz ZUWJJCLWISBMSL-MRXNPFEDSA-N 1 1 299.462 3.261 20 30 CGEDMO CN(Cc1ccccc1C(C)(C)C#N)C[C@@H]1CCC[N@@H+](C)C1 ZINC000135234121 371404249 /nfs/dbraw/zinc/40/42/49/371404249.db2.gz ZUWJJCLWISBMSL-MRXNPFEDSA-N 1 1 299.462 3.261 20 30 CGEDMO N#Cc1ccccc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134888177 371371710 /nfs/dbraw/zinc/37/17/10/371371710.db2.gz NLJQRILGQRGQOP-IEBWSBKVSA-N 1 1 295.430 3.007 20 30 CGEDMO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)CCCCC#N ZINC000140772223 371511611 /nfs/dbraw/zinc/51/16/11/371511611.db2.gz MVCYYKTWKQRMDH-UONOGXRCSA-N 1 1 252.402 3.206 20 30 CGEDMO COc1ccccc1[C@H]1CC[N@@H+](CCCCC#N)C1 ZINC000149019699 371526378 /nfs/dbraw/zinc/52/63/78/371526378.db2.gz ZOQVRRBVEOWVNC-AWEZNQCLSA-N 1 1 258.365 3.178 20 30 CGEDMO C[C@H](CN[C@@H](C)c1ccc(C#N)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000344033111 217020970 /nfs/dbraw/zinc/02/09/70/217020970.db2.gz LBCLXTACQGBEKA-XHSDSOJGSA-N 1 1 285.435 3.472 20 30 CGEDMO C[C@H](CN[C@@H](C)c1ccc(C#N)cc1)[N@H+]1CCCC[C@@H]1C ZINC000344033111 217020972 /nfs/dbraw/zinc/02/09/72/217020972.db2.gz LBCLXTACQGBEKA-XHSDSOJGSA-N 1 1 285.435 3.472 20 30 CGEDMO COCCc1cc[nH+]c(N[C@H](C)c2ccc(C#N)cc2)c1 ZINC000287297375 371637406 /nfs/dbraw/zinc/63/74/06/371637406.db2.gz DKNOHPDYMPEMSG-CYBMUJFWSA-N 1 1 281.359 3.315 20 30 CGEDMO COc1ccc(CNc2cc(C3CC3)cc[nH+]2)cc1C#N ZINC000289938215 371857411 /nfs/dbraw/zinc/85/74/11/371857411.db2.gz WQKDIVQEPVLRIS-UHFFFAOYSA-N 1 1 279.343 3.451 20 30 CGEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)CC1=CCCOC1 ZINC000154382371 371842258 /nfs/dbraw/zinc/84/22/58/371842258.db2.gz FFNJLGFIOYQLMZ-UHFFFAOYSA-N 1 1 270.376 3.115 20 30 CGEDMO N#Cc1ccccc1OCC[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000344123216 217061871 /nfs/dbraw/zinc/06/18/71/217061871.db2.gz VHFLAKZTQBOGTI-MRXNPFEDSA-N 1 1 270.376 3.059 20 30 CGEDMO C=CCCCCC[N@H+](C)CC(=O)N1CCCC[C@H]1C ZINC000157460979 372021811 /nfs/dbraw/zinc/02/18/11/372021811.db2.gz IQBKVDQYIQLILK-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCCCCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C ZINC000157461127 372022168 /nfs/dbraw/zinc/02/21/68/372022168.db2.gz IQBKVDQYIQLILK-HNNXBMFYSA-N 1 1 266.429 3.066 20 30 CGEDMO OCC[N@@H+](CC#Cc1cccc(Cl)c1)Cc1ccccc1 ZINC000158212205 372060496 /nfs/dbraw/zinc/06/04/96/372060496.db2.gz CKMILRZVMKQHNE-UHFFFAOYSA-N 1 1 299.801 3.186 20 30 CGEDMO CC#CC[N@H+](C)Cc1ccc(OC(F)F)c(OCC)c1 ZINC000157633756 372029546 /nfs/dbraw/zinc/02/95/46/372029546.db2.gz XQMLGSLFRVMEBS-UHFFFAOYSA-N 1 1 283.318 3.142 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000424750218 372097181 /nfs/dbraw/zinc/09/71/81/372097181.db2.gz KLOGMSXTXKIPHC-CVEARBPZSA-N 1 1 286.419 3.150 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1c[nH]nc1-c1ccc(C)o1 ZINC000158991621 372097456 /nfs/dbraw/zinc/09/74/56/372097456.db2.gz XEVRJURMIJCFQC-UHFFFAOYSA-N 1 1 259.353 3.376 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(OCCOC)cc1 ZINC000159009952 372098824 /nfs/dbraw/zinc/09/88/24/372098824.db2.gz UDVUAFUUWARJMR-UHFFFAOYSA-N 1 1 263.381 3.110 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425545949 372132406 /nfs/dbraw/zinc/13/24/06/372132406.db2.gz DNFVAQWEBCWEAK-IBGZPJMESA-N 1 1 295.426 3.319 20 30 CGEDMO CC[C@@]1(C)CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000344242484 217115091 /nfs/dbraw/zinc/11/50/91/217115091.db2.gz GCZVFHFVTXLRQN-KRWDZBQOSA-N 1 1 296.374 3.230 20 30 CGEDMO C#CCCOc1ccc(C[N@H+](C(C)C)[C@H]2CCOC2)cc1 ZINC000291233565 372143748 /nfs/dbraw/zinc/14/37/48/372143748.db2.gz KOFIDKONRXFERB-KRWDZBQOSA-N 1 1 287.403 3.088 20 30 CGEDMO C#CCOc1ccc(C[NH2+]Cc2oc(CCC)nc2C)cc1 ZINC000291733762 372174281 /nfs/dbraw/zinc/17/42/81/372174281.db2.gz NZPAZKHSWYFJBH-UHFFFAOYSA-N 1 1 298.386 3.237 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000291803801 372176358 /nfs/dbraw/zinc/17/63/58/372176358.db2.gz NEYVZTMFBBOGRC-GOSISDBHSA-N 1 1 273.420 3.270 20 30 CGEDMO C=CCCC[N@@H+](CC1CC1)[C@@](C)(CC)C(=O)OC ZINC000425518673 372130541 /nfs/dbraw/zinc/13/05/41/372130541.db2.gz ZSMYOAYRJFLAED-HNNXBMFYSA-N 1 1 253.386 3.006 20 30 CGEDMO CCC[C@]1(CO)CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000344261792 217123345 /nfs/dbraw/zinc/12/33/45/217123345.db2.gz KEIYOFVKVBXYCX-INIZCTEOSA-N 1 1 292.810 3.196 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@H](OCC3CC3)C2)c1 ZINC000428407568 372193480 /nfs/dbraw/zinc/19/34/80/372193480.db2.gz WSONVDPDAVXMRP-AWEZNQCLSA-N 1 1 276.405 3.011 20 30 CGEDMO CC(C)(C#N)CCC[N@@H+]1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000428947930 372289248 /nfs/dbraw/zinc/28/92/48/372289248.db2.gz UEMXJSSUIMUZAL-LLVKDONJSA-N 1 1 292.345 3.358 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000428947930 372289254 /nfs/dbraw/zinc/28/92/54/372289254.db2.gz UEMXJSSUIMUZAL-LLVKDONJSA-N 1 1 292.345 3.358 20 30 CGEDMO C[C@@H]1C[C@H](Nc2ccc(C#N)nc2)C[N@H+]1Cc1ccccc1 ZINC000160946739 372291290 /nfs/dbraw/zinc/29/12/90/372291290.db2.gz CDJFPKIOTQYESY-KDOFPFPSSA-N 1 1 292.386 3.028 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000428981054 372297235 /nfs/dbraw/zinc/29/72/35/372297235.db2.gz XWDSDGSGNORHSQ-CYBMUJFWSA-N 1 1 258.340 3.319 20 30 CGEDMO Cc1ccc(C[N@@H+](C)Cc2ccc(F)c(C#N)c2)o1 ZINC000160526657 372256446 /nfs/dbraw/zinc/25/64/46/372256446.db2.gz NXIRHQQQGVKINI-UHFFFAOYSA-N 1 1 258.296 3.231 20 30 CGEDMO Cc1ccc(C[N@H+](C)Cc2ccc(F)c(C#N)c2)o1 ZINC000160526657 372256457 /nfs/dbraw/zinc/25/64/57/372256457.db2.gz NXIRHQQQGVKINI-UHFFFAOYSA-N 1 1 258.296 3.231 20 30 CGEDMO C[C@H]1C[N@H+](Cc2cccc(C#N)c2)Cc2ccccc2O1 ZINC000429125794 372316548 /nfs/dbraw/zinc/31/65/48/372316548.db2.gz FQZORYADPBGGIS-AWEZNQCLSA-N 1 1 278.355 3.341 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)Cc2ccccc2O1 ZINC000429125794 372316554 /nfs/dbraw/zinc/31/65/54/372316554.db2.gz FQZORYADPBGGIS-AWEZNQCLSA-N 1 1 278.355 3.341 20 30 CGEDMO CCOc1ccc(C[N@@H+](C)[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000429724287 372377373 /nfs/dbraw/zinc/37/73/73/372377373.db2.gz WNFRDMJWWRQURN-LSDHHAIUSA-N 1 1 258.365 3.209 20 30 CGEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cscn1 ZINC000162382982 372391536 /nfs/dbraw/zinc/39/15/36/372391536.db2.gz IYFRPUDDHQPLJL-WDEREUQCSA-N 1 1 257.362 3.427 20 30 CGEDMO C=CCC(C)(C)C[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000293772844 372476583 /nfs/dbraw/zinc/47/65/83/372476583.db2.gz SHZJRKDWRAMFFI-AWEZNQCLSA-N 1 1 270.380 3.086 20 30 CGEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)C1(C)C ZINC000344370236 217172650 /nfs/dbraw/zinc/17/26/50/217172650.db2.gz QSCHYWHWYCFSJV-HOTGVXAUSA-N 1 1 290.382 3.333 20 30 CGEDMO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)C1(C)C ZINC000344374204 217174633 /nfs/dbraw/zinc/17/46/33/217174633.db2.gz KWJQCFBXSMYVKM-RDJZCZTQSA-N 1 1 290.382 3.333 20 30 CGEDMO CCC[C@@H]1CN(CCCCC#N)CC[N@H+]1CCCCC#N ZINC000164552144 372523763 /nfs/dbraw/zinc/52/37/63/372523763.db2.gz GYURELPZVBSWST-QGZVFWFLSA-N 1 1 290.455 3.160 20 30 CGEDMO CCC[C@@H]1C[N@H+](CCCCC#N)CCN1CCCCC#N ZINC000164552144 372523767 /nfs/dbraw/zinc/52/37/67/372523767.db2.gz GYURELPZVBSWST-QGZVFWFLSA-N 1 1 290.455 3.160 20 30 CGEDMO CCC[C@@H]1C[N@@H+](CCCCC#N)CCN1CCCCC#N ZINC000164552144 372523773 /nfs/dbraw/zinc/52/37/73/372523773.db2.gz GYURELPZVBSWST-QGZVFWFLSA-N 1 1 290.455 3.160 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433289319 372585453 /nfs/dbraw/zinc/58/54/53/372585453.db2.gz ONRJOWFDESTZQZ-CYBMUJFWSA-N 1 1 280.209 3.500 20 30 CGEDMO C[N@H+](CCOc1ccc(Cl)c(F)c1)CC(C)(C)C#N ZINC000433302577 372585670 /nfs/dbraw/zinc/58/56/70/372585670.db2.gz JEPCAUIYCRBMLX-UHFFFAOYSA-N 1 1 284.762 3.339 20 30 CGEDMO C[N@@H+](CCOc1ccc(Cl)c(F)c1)CC(C)(C)C#N ZINC000433302577 372585676 /nfs/dbraw/zinc/58/56/76/372585676.db2.gz JEPCAUIYCRBMLX-UHFFFAOYSA-N 1 1 284.762 3.339 20 30 CGEDMO C[N@H+](CCOc1ccccc1Cl)CC(C)(C)C#N ZINC000433312296 372587572 /nfs/dbraw/zinc/58/75/72/372587572.db2.gz QDDKZIYSGLSMEY-UHFFFAOYSA-N 1 1 266.772 3.200 20 30 CGEDMO C[N@@H+](CCOc1ccccc1Cl)CC(C)(C)C#N ZINC000433312296 372587578 /nfs/dbraw/zinc/58/75/78/372587578.db2.gz QDDKZIYSGLSMEY-UHFFFAOYSA-N 1 1 266.772 3.200 20 30 CGEDMO C[N@H+](C[C@H](O)Cc1ccc2ccccc2c1)CC(C)(C)C#N ZINC000433308989 372587628 /nfs/dbraw/zinc/58/76/28/372587628.db2.gz WCTIGPQZAZVGTH-GOSISDBHSA-N 1 1 296.414 3.225 20 30 CGEDMO C[N@@H+](C[C@H](O)Cc1ccc2ccccc2c1)CC(C)(C)C#N ZINC000433308989 372587634 /nfs/dbraw/zinc/58/76/34/372587634.db2.gz WCTIGPQZAZVGTH-GOSISDBHSA-N 1 1 296.414 3.225 20 30 CGEDMO CC(C)[N@@H+]1CCC[C@H](CN[C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000353430343 220078175 /nfs/dbraw/zinc/07/81/75/220078175.db2.gz WIXQGEQWKACWAD-VQIMIIECSA-N 1 1 297.446 3.256 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H](CN[C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000353430343 220078177 /nfs/dbraw/zinc/07/81/77/220078177.db2.gz WIXQGEQWKACWAD-VQIMIIECSA-N 1 1 297.446 3.256 20 30 CGEDMO N#Cc1ccc(CNC[C@@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC000435726400 372797736 /nfs/dbraw/zinc/79/77/36/372797736.db2.gz PFQSAVUSCYLHID-IBGZPJMESA-N 1 1 297.446 3.445 20 30 CGEDMO N#Cc1ccc(C[NH2+]C[C@@H]2CCCN2C2CCCCC2)cc1 ZINC000435726400 372797749 /nfs/dbraw/zinc/79/77/49/372797749.db2.gz PFQSAVUSCYLHID-IBGZPJMESA-N 1 1 297.446 3.445 20 30 CGEDMO CC[N@H+](CC(=O)c1cccn1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000171629308 372798013 /nfs/dbraw/zinc/79/80/13/372798013.db2.gz MLENRQXJCTZZBE-AWEZNQCLSA-N 1 1 295.386 3.163 20 30 CGEDMO CC[N@@H+](CC(=O)c1cccn1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000171629308 372798016 /nfs/dbraw/zinc/79/80/16/372798016.db2.gz MLENRQXJCTZZBE-AWEZNQCLSA-N 1 1 295.386 3.163 20 30 CGEDMO C=CCC[C@@H]([NH2+]Cc1nn(CC)nc1C)c1ccccc1 ZINC000295665871 372867931 /nfs/dbraw/zinc/86/79/31/372867931.db2.gz JSNKYQUXUNKOPI-MRXNPFEDSA-N 1 1 284.407 3.404 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccc(OC)c(OC)c1OC ZINC000172173404 372918030 /nfs/dbraw/zinc/91/80/30/372918030.db2.gz CMQXTANSSWOIQR-UHFFFAOYSA-N 1 1 279.380 3.110 20 30 CGEDMO CC[C@](C)([NH2+]Cc1ccc(C#N)cc1)c1nccs1 ZINC000172673334 373009794 /nfs/dbraw/zinc/00/97/94/373009794.db2.gz QBENBZQARBYPBE-HNNXBMFYSA-N 1 1 271.389 3.430 20 30 CGEDMO CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(C#N)cc1 ZINC000296279105 373077390 /nfs/dbraw/zinc/07/73/90/373077390.db2.gz DYQMIULQRQEYQF-HQSKLWIPSA-N 1 1 283.419 3.224 20 30 CGEDMO CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc(C#N)cc1 ZINC000296279105 373077397 /nfs/dbraw/zinc/07/73/97/373077397.db2.gz DYQMIULQRQEYQF-HQSKLWIPSA-N 1 1 283.419 3.224 20 30 CGEDMO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(C#N)cc1 ZINC000296279105 373077408 /nfs/dbraw/zinc/07/74/08/373077408.db2.gz DYQMIULQRQEYQF-HQSKLWIPSA-N 1 1 283.419 3.224 20 30 CGEDMO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(C#N)cc1 ZINC000296279105 373077415 /nfs/dbraw/zinc/07/74/15/373077415.db2.gz DYQMIULQRQEYQF-HQSKLWIPSA-N 1 1 283.419 3.224 20 30 CGEDMO CC[NH+](CC)[C@H](CN[C@H]1CC[C@H](C#N)C1)Cc1ccccc1 ZINC000442716598 373069888 /nfs/dbraw/zinc/06/98/88/373069888.db2.gz OKLHRXINVALGDX-FHWLQOOXSA-N 1 1 299.462 3.221 20 30 CGEDMO Cc1cc(CNC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)ccc1C#N ZINC000443974778 373163215 /nfs/dbraw/zinc/16/32/15/373163215.db2.gz WFQKOZFTUBNSAI-JKSUJKDBSA-N 1 1 285.435 3.219 20 30 CGEDMO Cc1cc(CNC[C@@H](C)[N@H+]2CCCC[C@@H]2C)ccc1C#N ZINC000443974778 373163222 /nfs/dbraw/zinc/16/32/22/373163222.db2.gz WFQKOZFTUBNSAI-JKSUJKDBSA-N 1 1 285.435 3.219 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCc1ccccc1O ZINC000442902591 373125925 /nfs/dbraw/zinc/12/59/25/373125925.db2.gz WMXPPPVRJCGLCM-AWEZNQCLSA-N 1 1 280.371 3.499 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000442903198 373125966 /nfs/dbraw/zinc/12/59/66/373125966.db2.gz XXTRCWZWGMTORW-KBRIMQKVSA-N 1 1 286.419 3.348 20 30 CGEDMO CC1(C)CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000173738996 373182203 /nfs/dbraw/zinc/18/22/03/373182203.db2.gz ATDLDDSFUYATEO-UHFFFAOYSA-N 1 1 296.374 3.230 20 30 CGEDMO C=CC[N@@H+](CCC)[C@H](Cc1ccccc1)C(=O)OCC ZINC000444673640 373230228 /nfs/dbraw/zinc/23/02/28/373230228.db2.gz IGWVPJKTNWKCRQ-MRXNPFEDSA-N 1 1 275.392 3.059 20 30 CGEDMO C=CC[N@H+](CCC)[C@H](Cc1ccccc1)C(=O)OCC ZINC000444673640 373230232 /nfs/dbraw/zinc/23/02/32/373230232.db2.gz IGWVPJKTNWKCRQ-MRXNPFEDSA-N 1 1 275.392 3.059 20 30 CGEDMO COc1ccccc1C(C)(C)[NH2+]Cc1ccc(C#N)o1 ZINC000174345134 373297265 /nfs/dbraw/zinc/29/72/65/373297265.db2.gz ASTBSIGRUHIPCT-UHFFFAOYSA-N 1 1 270.332 3.185 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2ccc(C(=O)OC)[nH]2)CCCC1(C)C ZINC000446828997 373367141 /nfs/dbraw/zinc/36/71/41/373367141.db2.gz BWQCKOJOUUNICP-HNNXBMFYSA-N 1 1 290.407 3.368 20 30 CGEDMO CC[N@@H+](C[C@@H]1CCCO1)[C@@H](C)c1ccc(C#N)cc1 ZINC000299074826 373456066 /nfs/dbraw/zinc/45/60/66/373456066.db2.gz QECBOIDPCJJCTR-BBRMVZONSA-N 1 1 258.365 3.120 20 30 CGEDMO C#CCOc1ccc(C[NH2+][C@H](C)c2ncc(C)s2)cc1 ZINC000175859157 373529656 /nfs/dbraw/zinc/52/96/56/373529656.db2.gz HKKPFIJMSLYHLS-CYBMUJFWSA-N 1 1 286.400 3.314 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCNc1c(F)cc(C#N)cc1F ZINC000301098615 373658284 /nfs/dbraw/zinc/65/82/84/373658284.db2.gz JWURQHICVJKTNT-NSHDSACASA-N 1 1 279.334 3.123 20 30 CGEDMO CC(C)(CN[C@H]1CCc2ccc(C#N)cc21)C[NH+]1CCCC1 ZINC000353648362 220222009 /nfs/dbraw/zinc/22/20/09/220222009.db2.gz ABGSRJUWWSLPHU-SFHVURJKSA-N 1 1 297.446 3.257 20 30 CGEDMO C=CCC1(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)CCCCC1 ZINC000448891174 373648251 /nfs/dbraw/zinc/64/82/51/373648251.db2.gz PYAZYBSTPDXDDL-AWEZNQCLSA-N 1 1 278.440 3.112 20 30 CGEDMO C[C@H](CNc1ccc(C#N)cc1F)[N@H+]1CCC[C@@H](C)C1 ZINC000301153020 373677676 /nfs/dbraw/zinc/67/76/76/373677676.db2.gz QAGPEQMXBPQPIP-CHWSQXEVSA-N 1 1 275.371 3.230 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](OC)C(C)(C)C2)cc1 ZINC000449505279 373804130 /nfs/dbraw/zinc/80/41/30/373804130.db2.gz WUXZBOBZQRLZHQ-KRWDZBQOSA-N 1 1 289.419 3.498 20 30 CGEDMO C[C@H](CCNc1ccc(C#N)cn1)[N@@H+](C)Cc1ccccc1 ZINC000301478094 373778042 /nfs/dbraw/zinc/77/80/42/373778042.db2.gz PXMWZJQZTOJWDB-OAHLLOKOSA-N 1 1 294.402 3.276 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](OC)[C@H](C)C2)cc1 ZINC000449491898 373781656 /nfs/dbraw/zinc/78/16/56/373781656.db2.gz BAFLLGXJKGUZGW-PBHICJAKSA-N 1 1 275.392 3.108 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@H](COC)CC1 ZINC000449773513 373900700 /nfs/dbraw/zinc/90/07/00/373900700.db2.gz IOPQPBHIFAPIAS-INIZCTEOSA-N 1 1 289.419 3.500 20 30 CGEDMO Cc1ccc(NCCCC[N@@H+]2CCCC[C@@H]2C)nc1C#N ZINC000302592506 373902180 /nfs/dbraw/zinc/90/21/80/373902180.db2.gz AKMFHGMXXYDVGY-HNNXBMFYSA-N 1 1 286.423 3.328 20 30 CGEDMO N#CC1(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)CCC1 ZINC000450234624 374013054 /nfs/dbraw/zinc/01/30/54/374013054.db2.gz UCENBYROSWDCAJ-OAHLLOKOSA-N 1 1 297.402 3.031 20 30 CGEDMO N#CC1(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)CCC1 ZINC000450234623 374013086 /nfs/dbraw/zinc/01/30/86/374013086.db2.gz UCENBYROSWDCAJ-HNNXBMFYSA-N 1 1 297.402 3.031 20 30 CGEDMO C=CC[N@@H+](CCO[C@H]1CCCCO1)CCc1ccccc1 ZINC000181662957 374151368 /nfs/dbraw/zinc/15/13/68/374151368.db2.gz OLGQWUFLFKTJLV-SFHVURJKSA-N 1 1 289.419 3.260 20 30 CGEDMO CC(C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000307783995 374153002 /nfs/dbraw/zinc/15/30/02/374153002.db2.gz XCXCGHHVVLSXEX-GOEBONIOSA-N 1 1 299.418 3.253 20 30 CGEDMO CC[C@@H]1CCCC[N@@H+]1CCN[C@@H](C)c1cccc(C#N)c1 ZINC000181745053 374165331 /nfs/dbraw/zinc/16/53/31/374165331.db2.gz XJAHKBPCYQTGFE-MAUKXSAKSA-N 1 1 285.435 3.473 20 30 CGEDMO CC[C@@H]1CCCC[N@H+]1CCN[C@@H](C)c1cccc(C#N)c1 ZINC000181745053 374165335 /nfs/dbraw/zinc/16/53/35/374165335.db2.gz XJAHKBPCYQTGFE-MAUKXSAKSA-N 1 1 285.435 3.473 20 30 CGEDMO COc1cc(C)c([C@@H](C)[NH2+]CC2(C#N)CCC2)cc1OC ZINC000450664389 374169005 /nfs/dbraw/zinc/16/90/05/374169005.db2.gz CZJXFWSBEMATNB-CYBMUJFWSA-N 1 1 288.391 3.357 20 30 CGEDMO CC[N@@H+](Cc1cc(C#N)ccc1OC)CC(C)(C)C ZINC000311786505 374255447 /nfs/dbraw/zinc/25/54/47/374255447.db2.gz JOWXKLOKEFSNFY-UHFFFAOYSA-N 1 1 260.381 3.435 20 30 CGEDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000313703981 374303841 /nfs/dbraw/zinc/30/38/41/374303841.db2.gz AZQADTUKDVXPGF-SUMWQHHRSA-N 1 1 290.382 3.213 20 30 CGEDMO Cc1cccc(NCCNC(=O)[C@H]2CCCCS2)[nH+]1 ZINC000329356134 374406836 /nfs/dbraw/zinc/40/68/36/374406836.db2.gz ZFXZBMWEBBJXRN-GFCCVEGCSA-N 1 1 279.409 3.044 20 30 CGEDMO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000332105415 374553360 /nfs/dbraw/zinc/55/33/60/374553360.db2.gz HQELWPCVDDHPBB-IUODEOHRSA-N 1 1 296.374 3.371 20 30 CGEDMO C[C@@H]1CCCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459404709 374806605 /nfs/dbraw/zinc/80/66/05/374806605.db2.gz JDXVXOUOLKDXFH-GFCCVEGCSA-N 1 1 273.336 3.088 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@H](CC(C)C)C1 ZINC000466735193 374969299 /nfs/dbraw/zinc/96/92/99/374969299.db2.gz ABHFIFKFTACGCX-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO CC(C)(C)C[N@@H+](CCCO)Cc1ccc(Cl)cc1C#N ZINC000187001365 374955037 /nfs/dbraw/zinc/95/50/37/374955037.db2.gz AWKZGDCWWOBBBS-UHFFFAOYSA-N 1 1 294.826 3.442 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000466649773 374967884 /nfs/dbraw/zinc/96/78/84/374967884.db2.gz ZLZMZHCYTWVKMB-HZPDHXFCSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)N[C@H](c1ccc(C)cc1)C1CC1 ZINC000467288430 374974050 /nfs/dbraw/zinc/97/40/50/374974050.db2.gz HUQHJEQYYQLTAU-GOSISDBHSA-N 1 1 286.419 3.070 20 30 CGEDMO C[C@H]1C[C@H](N(C)Cc2ccc(Cl)cc2C#N)CC[N@H+]1C ZINC000187119783 374975098 /nfs/dbraw/zinc/97/50/98/374975098.db2.gz RZWJWYMQUMMCNY-BLLLJJGKSA-N 1 1 291.826 3.126 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCCC[C@@H](COC)C1 ZINC000468699103 374983173 /nfs/dbraw/zinc/98/31/73/374983173.db2.gz RNTCPULIJGIKCS-MRXNPFEDSA-N 1 1 289.419 3.500 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000187190213 374985185 /nfs/dbraw/zinc/98/51/85/374985185.db2.gz DQLRLDCOVINDOC-CJNGLKHVSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000187190213 374985188 /nfs/dbraw/zinc/98/51/88/374985188.db2.gz DQLRLDCOVINDOC-CJNGLKHVSA-N 1 1 290.794 3.213 20 30 CGEDMO C=CCOCCC[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000470778889 374999026 /nfs/dbraw/zinc/99/90/26/374999026.db2.gz JYKUULXMQIJAMV-KRWDZBQOSA-N 1 1 259.393 3.144 20 30 CGEDMO C[N@@H+](Cc1ccc(Cl)cc1C#N)[C@@H](CO)C(C)(C)C ZINC000187302503 374999829 /nfs/dbraw/zinc/99/98/29/374999829.db2.gz DXIFASHZOXVXEU-AWEZNQCLSA-N 1 1 280.799 3.050 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](CC=C)CC1CCCCC1 ZINC000472726017 375032354 /nfs/dbraw/zinc/03/23/54/375032354.db2.gz JMACTDXUEJYPQV-MRXNPFEDSA-N 1 1 251.414 3.382 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC000472766705 375033342 /nfs/dbraw/zinc/03/33/42/375033342.db2.gz HEPAHOXCLVTOOM-SJORKVTESA-N 1 1 259.393 3.459 20 30 CGEDMO C=CCCCCNC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000472852461 375036662 /nfs/dbraw/zinc/03/66/62/375036662.db2.gz MQKXJTQJJJBCNO-UHFFFAOYSA-N 1 1 295.471 3.297 20 30 CGEDMO CC(C)(C)OC(=O)[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000483708677 375182744 /nfs/dbraw/zinc/18/27/44/375182744.db2.gz DGPUIQJEKQHNGL-KRWDZBQOSA-N 1 1 299.414 3.092 20 30 CGEDMO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000483708677 375182752 /nfs/dbraw/zinc/18/27/52/375182752.db2.gz DGPUIQJEKQHNGL-KRWDZBQOSA-N 1 1 299.414 3.092 20 30 CGEDMO COc1cc(C[N@H+](C)CC#Cc2ccccc2)cc(OC)c1 ZINC000483529219 375183444 /nfs/dbraw/zinc/18/34/44/375183444.db2.gz HXGQOWVWNPYEMU-UHFFFAOYSA-N 1 1 295.382 3.187 20 30 CGEDMO COc1cc(C[N@@H+](C)CC#Cc2ccccc2)cc(OC)c1 ZINC000483529219 375183449 /nfs/dbraw/zinc/18/34/49/375183449.db2.gz HXGQOWVWNPYEMU-UHFFFAOYSA-N 1 1 295.382 3.187 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000481273442 375163327 /nfs/dbraw/zinc/16/33/27/375163327.db2.gz YMMZKGBLSCQUCQ-GJZGRUSLSA-N 1 1 286.419 3.251 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000481273442 375163338 /nfs/dbraw/zinc/16/33/38/375163338.db2.gz YMMZKGBLSCQUCQ-GJZGRUSLSA-N 1 1 286.419 3.251 20 30 CGEDMO CC#CCC[NH2+][C@H](CCc1ccccc1)C(F)F ZINC000482154848 375167932 /nfs/dbraw/zinc/16/79/32/375167932.db2.gz XNSZSGIEUOUEJK-CQSZACIVSA-N 1 1 251.320 3.256 20 30 CGEDMO C=CCCCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000474583961 375119357 /nfs/dbraw/zinc/11/93/57/375119357.db2.gz VVYGBHGZISGVFF-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCOc1ccccc1CNc1[nH]c2ccc(F)cc2[nH+]1 ZINC000485951442 375194887 /nfs/dbraw/zinc/19/48/87/375194887.db2.gz NJKIRQVDFHOPHF-UHFFFAOYSA-N 1 1 297.333 3.301 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](C(=O)NCCCC)C1 ZINC000486675662 375197874 /nfs/dbraw/zinc/19/78/74/375197874.db2.gz LMUQKISLHOAENT-INIZCTEOSA-N 1 1 280.456 3.361 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)cc1F ZINC000335179610 375203787 /nfs/dbraw/zinc/20/37/87/375203787.db2.gz WIVVTRHSUGRTCD-WMZOPIPTSA-N 1 1 296.345 3.005 20 30 CGEDMO N#CC1(CC[N@H+]2CCC[C@H]3COCC[C@H]32)CCCCC1 ZINC000335180044 375205773 /nfs/dbraw/zinc/20/57/73/375205773.db2.gz HZYKSRGPCFWHBI-JKSUJKDBSA-N 1 1 276.424 3.351 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000335417265 375275505 /nfs/dbraw/zinc/27/55/05/375275505.db2.gz MEPBGUIPHDTDRH-AWEZNQCLSA-N 1 1 281.334 3.082 20 30 CGEDMO COCC[N@@H+](CC#Cc1ccc(F)cc1)[C@@H]1CCC[C@@H]1C ZINC000487946701 375288212 /nfs/dbraw/zinc/28/82/12/375288212.db2.gz BXPRTCQUXZGWBY-MAUKXSAKSA-N 1 1 289.394 3.314 20 30 CGEDMO COCC[N@@H+](Cc1cccc(C#N)c1F)[C@H]1CCC[C@@H]1C ZINC000487981049 375290317 /nfs/dbraw/zinc/29/03/17/375290317.db2.gz NAAMWSXDBIKUIV-BBRMVZONSA-N 1 1 290.382 3.334 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000489442673 375318603 /nfs/dbraw/zinc/31/86/03/375318603.db2.gz BDEIWVGTQJMEDY-HNNXBMFYSA-N 1 1 294.358 3.149 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000489442673 375318609 /nfs/dbraw/zinc/31/86/09/375318609.db2.gz BDEIWVGTQJMEDY-HNNXBMFYSA-N 1 1 294.358 3.149 20 30 CGEDMO C=CC[N@@H+](C)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000494683724 375492039 /nfs/dbraw/zinc/49/20/39/375492039.db2.gz FYFWBNOKSAHCQD-CYBMUJFWSA-N 1 1 299.201 3.217 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000494683724 375492048 /nfs/dbraw/zinc/49/20/48/375492048.db2.gz FYFWBNOKSAHCQD-CYBMUJFWSA-N 1 1 299.201 3.217 20 30 CGEDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000335881588 375508984 /nfs/dbraw/zinc/50/89/84/375508984.db2.gz PCEBSZWCLCICHA-ZWNOBZJWSA-N 1 1 268.282 3.331 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000496025255 375511191 /nfs/dbraw/zinc/51/11/91/375511191.db2.gz VTRSSNXFGXKAHR-GJZGRUSLSA-N 1 1 294.439 3.141 20 30 CGEDMO CC1(C)C[NH+](Cc2cc(C#N)cs2)CC(C)(C)O1 ZINC000191192647 375592611 /nfs/dbraw/zinc/59/26/11/375592611.db2.gz XNBKAHUJZYFCHD-UHFFFAOYSA-N 1 1 264.394 3.009 20 30 CGEDMO Cn1cc(C[N@@H+](C)[C@@H]2CCc3ccccc32)cc1C#N ZINC000191207802 375594889 /nfs/dbraw/zinc/59/48/89/375594889.db2.gz ZPUKJOGLZCNNPD-QGZVFWFLSA-N 1 1 265.360 3.016 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CC1 ZINC000497019473 375570584 /nfs/dbraw/zinc/57/05/84/375570584.db2.gz UEILACPRRDUIPB-GASCZTMLSA-N 1 1 294.439 3.141 20 30 CGEDMO Cn1cc(C[N@@H+](CC2CC2)C2CCCCC2)cc1C#N ZINC000191310010 375609260 /nfs/dbraw/zinc/60/92/60/375609260.db2.gz QUWGBHYNLYTYNF-UHFFFAOYSA-N 1 1 271.408 3.441 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)NC(C)(C)CC ZINC000502468115 375645886 /nfs/dbraw/zinc/64/58/86/375645886.db2.gz MOLKOSSTVFRXEM-OAHLLOKOSA-N 1 1 288.435 3.368 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)NC(C)(C)CC ZINC000502468115 375645896 /nfs/dbraw/zinc/64/58/96/375645896.db2.gz MOLKOSSTVFRXEM-OAHLLOKOSA-N 1 1 288.435 3.368 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2C[C@H](C)OC[C@@H]2CC)c1 ZINC000505635612 375659583 /nfs/dbraw/zinc/65/95/83/375659583.db2.gz KLTFSOMYAFYOMP-HOCLYGCPSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CC[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1C ZINC000191762046 375660458 /nfs/dbraw/zinc/66/04/58/375660458.db2.gz GCVXVJGYGQKRHG-UHFFFAOYSA-N 1 1 299.418 3.124 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1C ZINC000191762046 375660465 /nfs/dbraw/zinc/66/04/65/375660465.db2.gz GCVXVJGYGQKRHG-UHFFFAOYSA-N 1 1 299.418 3.124 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc([N+](=O)[O-])ccc1OCC ZINC000505872630 375662121 /nfs/dbraw/zinc/66/21/21/375662121.db2.gz PQNKDCKDESLPRZ-UHFFFAOYSA-N 1 1 278.352 3.392 20 30 CGEDMO COc1ccc(F)c(C[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000507186952 375684845 /nfs/dbraw/zinc/68/48/45/375684845.db2.gz AVNAWLZYYVVDIL-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO COc1ccc(F)c(C[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000507186952 375684847 /nfs/dbraw/zinc/68/48/47/375684847.db2.gz AVNAWLZYYVVDIL-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO CC[N@@H+](Cc1ccnc(C)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000507334759 375696807 /nfs/dbraw/zinc/69/68/07/375696807.db2.gz RRJRFHOHNXXRKR-ZDUSSCGKSA-N 1 1 280.375 3.240 20 30 CGEDMO Cc1cnc(CC[N@H+](C)Cc2ccc(C#N)c(F)c2)s1 ZINC000192130147 375700887 /nfs/dbraw/zinc/70/08/87/375700887.db2.gz ARBKXUDIOPBKLQ-UHFFFAOYSA-N 1 1 289.379 3.137 20 30 CGEDMO C[C@@H](c1ccncc1)[N@H+](C)CC#Cc1ccccc1 ZINC000192135230 375702626 /nfs/dbraw/zinc/70/26/26/375702626.db2.gz MWFVWALQOGOXDR-HNNXBMFYSA-N 1 1 250.345 3.126 20 30 CGEDMO C[C@@H](c1ccncc1)[N@@H+](C)CC#Cc1ccccc1 ZINC000192135230 375702633 /nfs/dbraw/zinc/70/26/33/375702633.db2.gz MWFVWALQOGOXDR-HNNXBMFYSA-N 1 1 250.345 3.126 20 30 CGEDMO C[C@@H](C[N@@H+](C)Cc1ccc(C#N)c(F)c1)c1nccs1 ZINC000192176059 375706524 /nfs/dbraw/zinc/70/65/24/375706524.db2.gz VNQFHZSOUJWUOX-NSHDSACASA-N 1 1 289.379 3.389 20 30 CGEDMO CC[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1nccs1 ZINC000192177868 375708286 /nfs/dbraw/zinc/70/82/86/375708286.db2.gz GQSJOHGLIJWTPN-CYBMUJFWSA-N 1 1 275.352 3.395 20 30 CGEDMO C=C(C)CC[N@H+](CCC)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000509670068 375782238 /nfs/dbraw/zinc/78/22/38/375782238.db2.gz IQQHGJRQANIJNI-RRFJBIMHSA-N 1 1 251.414 3.478 20 30 CGEDMO C=CC1CCN(C(=O)Nc2cc(C)c3[nH+]ccn3c2)CC1 ZINC000336285408 375770654 /nfs/dbraw/zinc/77/06/54/375770654.db2.gz QIGHMDQNHFRMKL-UHFFFAOYSA-N 1 1 284.363 3.073 20 30 CGEDMO C=CCC[C@@H]([NH2+]Cc1ncnn1CC)c1ccccc1 ZINC000193519449 375890987 /nfs/dbraw/zinc/89/09/87/375890987.db2.gz CAXOZGBIILPBMF-OAHLLOKOSA-N 1 1 270.380 3.095 20 30 CGEDMO CC(C)[C@@H]1CN(CCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000528641078 375907253 /nfs/dbraw/zinc/90/72/53/375907253.db2.gz RSCNAZHBUJROTL-SFHVURJKSA-N 1 1 285.435 3.133 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000528792780 375909712 /nfs/dbraw/zinc/90/97/12/375909712.db2.gz GRINJFVLVCZSRK-ZDUSSCGKSA-N 1 1 299.336 3.391 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000528792776 375909796 /nfs/dbraw/zinc/90/97/96/375909796.db2.gz GRINJFVLVCZSRK-CYBMUJFWSA-N 1 1 299.336 3.391 20 30 CGEDMO CCN1CC[C@H]([N@H+](C)CCCC(C)(C)C#N)C[C@H]1C ZINC000336803018 375952607 /nfs/dbraw/zinc/95/26/07/375952607.db2.gz WVKWUNZJXIQJLR-CABCVRRESA-N 1 1 265.445 3.121 20 30 CGEDMO CCN1CC[C@H]([N@@H+](C)CCCC(C)(C)C#N)C[C@H]1C ZINC000336803018 375952613 /nfs/dbraw/zinc/95/26/13/375952613.db2.gz WVKWUNZJXIQJLR-CABCVRRESA-N 1 1 265.445 3.121 20 30 CGEDMO CCC(C)(C)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000337193705 376127684 /nfs/dbraw/zinc/12/76/84/376127684.db2.gz VSEHHYSBQYAYGT-UHFFFAOYSA-N 1 1 252.402 3.207 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)Cc1cnc(OC)nc1C ZINC000337266376 376177493 /nfs/dbraw/zinc/17/74/93/376177493.db2.gz ZCTURZPWFIOCKQ-UHFFFAOYSA-N 1 1 297.402 3.372 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1cnc(OC)nc1C ZINC000337266376 376177500 /nfs/dbraw/zinc/17/75/00/376177500.db2.gz ZCTURZPWFIOCKQ-UHFFFAOYSA-N 1 1 297.402 3.372 20 30 CGEDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000218176920 376185225 /nfs/dbraw/zinc/18/52/25/376185225.db2.gz PLUFCOJNHZSCSA-XOKHGSTOSA-N 1 1 272.392 3.102 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000538371417 376237128 /nfs/dbraw/zinc/23/71/28/376237128.db2.gz QHOANZRPSZFKAS-HRCADAONSA-N 1 1 295.471 3.245 20 30 CGEDMO CC[N@H+](Cc1ccncc1)Cc1cccc(C#N)c1F ZINC000223572612 376257810 /nfs/dbraw/zinc/25/78/10/376257810.db2.gz PNIRIFCEVIOCQB-UHFFFAOYSA-N 1 1 269.323 3.114 20 30 CGEDMO CC[N@@H+](Cc1ccncc1)Cc1cccc(C#N)c1F ZINC000223572612 376257814 /nfs/dbraw/zinc/25/78/14/376257814.db2.gz PNIRIFCEVIOCQB-UHFFFAOYSA-N 1 1 269.323 3.114 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC000538726978 376263052 /nfs/dbraw/zinc/26/30/52/376263052.db2.gz KPTYZHVDOZUAIN-IYBDPMFKSA-N 1 1 257.377 3.483 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C[C@@H]1CCCC(F)(F)C1)C1CC1 ZINC000338286610 376314342 /nfs/dbraw/zinc/31/43/42/376314342.db2.gz NJSHKNHBKDDYQS-VXGBXAGGSA-N 1 1 256.340 3.436 20 30 CGEDMO C=CCc1cc(C[N@H+]2C[C@H](C)C[C@@H]2C)cc(OC)c1O ZINC000539837887 376339211 /nfs/dbraw/zinc/33/92/11/376339211.db2.gz BHXONIXLPVXZCZ-OLZOCXBDSA-N 1 1 275.392 3.360 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(C#N)cc1 ZINC000338357706 376348902 /nfs/dbraw/zinc/34/89/02/376348902.db2.gz KVYAVBNSDVFWTA-LBPRGKRZSA-N 1 1 279.318 3.420 20 30 CGEDMO C=CCCC[C@@H](C)[N@@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000539198026 376299041 /nfs/dbraw/zinc/29/90/41/376299041.db2.gz AYTNUHNLRIXBPS-CYBMUJFWSA-N 1 1 278.371 3.441 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000338562460 376427532 /nfs/dbraw/zinc/42/75/32/376427532.db2.gz CKWFLTBPWGKUSX-HOTGVXAUSA-N 1 1 258.409 3.157 20 30 CGEDMO C=CCCN1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000338562460 376427538 /nfs/dbraw/zinc/42/75/38/376427538.db2.gz CKWFLTBPWGKUSX-HOTGVXAUSA-N 1 1 258.409 3.157 20 30 CGEDMO C=CCCN1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000338562460 376427541 /nfs/dbraw/zinc/42/75/41/376427541.db2.gz CKWFLTBPWGKUSX-HOTGVXAUSA-N 1 1 258.409 3.157 20 30 CGEDMO CC1(C)CC[N@@H+](Cc2ccc(C#N)cc2F)CCS1 ZINC000228089328 376428538 /nfs/dbraw/zinc/42/85/38/376428538.db2.gz DPIXARZHRYWYJB-UHFFFAOYSA-N 1 1 278.396 3.415 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000540298409 376370015 /nfs/dbraw/zinc/37/00/15/376370015.db2.gz YUWVRGFMDKTLCK-HZPDHXFCSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000540348927 376371630 /nfs/dbraw/zinc/37/16/30/376371630.db2.gz CKSCWLLBQRTJEK-UONOGXRCSA-N 1 1 267.413 3.395 20 30 CGEDMO CC[N@@H+](CCCCCO)[C@H](C)c1ccc(C#N)cc1 ZINC000263787165 190078406 /nfs/dbraw/zinc/07/84/06/190078406.db2.gz PRYYPUJAOWBCJG-CQSZACIVSA-N 1 1 260.381 3.104 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C[C@H]1CCc2ccccc2C1)C1CC1 ZINC000541985914 376499450 /nfs/dbraw/zinc/49/94/50/376499450.db2.gz VXPBLALGGPABNJ-CABCVRRESA-N 1 1 268.404 3.416 20 30 CGEDMO CC[N@H+](Cc1ccc(C#N)c(OC)c1)CC1CCC1 ZINC000230316696 376506370 /nfs/dbraw/zinc/50/63/70/376506370.db2.gz AADUOAQFKMPQQL-UHFFFAOYSA-N 1 1 258.365 3.189 20 30 CGEDMO CCCC[N@@H+](Cc1ccc(C#N)c(OC)c1)C1CC1 ZINC000233056073 376594607 /nfs/dbraw/zinc/59/46/07/376594607.db2.gz KPAPRTOLXWATII-UHFFFAOYSA-N 1 1 258.365 3.331 20 30 CGEDMO CC[C@@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1nccs1 ZINC000233899554 376604221 /nfs/dbraw/zinc/60/42/21/376604221.db2.gz BFHGGIDIABZNQG-CYBMUJFWSA-N 1 1 287.388 3.264 20 30 CGEDMO CC[C@H](CSC)[N@@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000234024871 376609350 /nfs/dbraw/zinc/60/93/50/376609350.db2.gz OHNWQOVNTSYPHC-CQSZACIVSA-N 1 1 278.421 3.140 20 30 CGEDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000235227833 376635125 /nfs/dbraw/zinc/63/51/25/376635125.db2.gz RCXDJZNIASELMM-CJNGLKHVSA-N 1 1 290.382 3.213 20 30 CGEDMO C[C@@H]1C[N@@H+](CCOc2ccc(C#N)cc2)[C@@H]2CCCC[C@H]21 ZINC000543903031 376687587 /nfs/dbraw/zinc/68/75/87/376687587.db2.gz MNPKDJBVFAQOIA-FHLIZLRMSA-N 1 1 284.403 3.448 20 30 CGEDMO C=CCOCC[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000339127768 376696260 /nfs/dbraw/zinc/69/62/60/376696260.db2.gz JSLBIKDRABJMAC-UHFFFAOYSA-N 1 1 257.736 3.114 20 30 CGEDMO C=CCOCC[N@H+](C)Cc1cc(Cl)ccc1F ZINC000339127768 376696266 /nfs/dbraw/zinc/69/62/66/376696266.db2.gz JSLBIKDRABJMAC-UHFFFAOYSA-N 1 1 257.736 3.114 20 30 CGEDMO C=CCOCC[N@H+](C)C1CCC(C(F)(F)F)CC1 ZINC000339206779 376734617 /nfs/dbraw/zinc/73/46/17/376734617.db2.gz YQDBDHBIYJNVLE-UHFFFAOYSA-N 1 1 265.319 3.242 20 30 CGEDMO CC[N@@H+](Cc1ccno1)[C@H](C)c1ccc(C#N)cc1 ZINC000264639804 190124873 /nfs/dbraw/zinc/12/48/73/190124873.db2.gz USOHUAYNEFARFB-GFCCVEGCSA-N 1 1 255.321 3.129 20 30 CGEDMO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1CCC(C)(C)C#N ZINC000554260416 376849715 /nfs/dbraw/zinc/84/97/15/376849715.db2.gz RUKREKHNAOPQMG-INIZCTEOSA-N 1 1 280.412 3.124 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000245558618 376854267 /nfs/dbraw/zinc/85/42/67/376854267.db2.gz VSDVEPABKJFIOH-XOKHGSTOSA-N 1 1 272.392 3.102 20 30 CGEDMO C=CCOCC[N@@H+]1C[C@@H](c2ccc(C)cc2)C[C@H]1C ZINC000555462942 376856329 /nfs/dbraw/zinc/85/63/29/376856329.db2.gz UDJHRFXHSBULLS-WBVHZDCISA-N 1 1 259.393 3.375 20 30 CGEDMO C=CC[N@H+](CCC1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000556271096 376861739 /nfs/dbraw/zinc/86/17/39/376861739.db2.gz LPXIEIJXOXTZGB-MRXNPFEDSA-N 1 1 299.480 3.022 20 30 CGEDMO C=CC[N@@H+](CCC1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000556271096 376861747 /nfs/dbraw/zinc/86/17/47/376861747.db2.gz LPXIEIJXOXTZGB-MRXNPFEDSA-N 1 1 299.480 3.022 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000556991519 376916324 /nfs/dbraw/zinc/91/63/24/376916324.db2.gz GHZYEDDMVYWMSL-GOSISDBHSA-N 1 1 292.467 3.383 20 30 CGEDMO C[C@@H](N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000245849093 376917920 /nfs/dbraw/zinc/91/79/20/376917920.db2.gz GAGRWRUSQSDQHP-OWCLPIDISA-N 1 1 285.435 3.329 20 30 CGEDMO C[C@@H](N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000245849093 376917923 /nfs/dbraw/zinc/91/79/23/376917923.db2.gz GAGRWRUSQSDQHP-OWCLPIDISA-N 1 1 285.435 3.329 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000245956988 376942171 /nfs/dbraw/zinc/94/21/71/376942171.db2.gz UFBFWZSJPFQMLW-GDBMZVCRSA-N 1 1 270.376 3.331 20 30 CGEDMO Cc1cnc(CC[N@H+](C)Cc2cccc(C#N)c2F)s1 ZINC000340978241 377345145 /nfs/dbraw/zinc/34/51/45/377345145.db2.gz NRAJLYACVRQESD-UHFFFAOYSA-N 1 1 289.379 3.137 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@H]1CCCC[C@@H]1O ZINC000566834960 377501246 /nfs/dbraw/zinc/50/12/46/377501246.db2.gz UUUTYUZQRUZRAC-WBVHZDCISA-N 1 1 277.383 3.365 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ncccc1O ZINC000566882427 377502494 /nfs/dbraw/zinc/50/24/94/377502494.db2.gz QKWDTBPAIGHVRC-WBVHZDCISA-N 1 1 293.370 3.059 20 30 CGEDMO CC[C@@H](C[NH2+]CCC#N)Oc1ccccc1Cl ZINC000567103942 377504380 /nfs/dbraw/zinc/50/43/80/377504380.db2.gz ZGPDIEWEGADKIC-NSHDSACASA-N 1 1 252.745 3.001 20 30 CGEDMO C[C@H]1CN(c2cccc(Cl)c2)CC[N@H+]1CCCC#N ZINC000567181272 377504694 /nfs/dbraw/zinc/50/46/94/377504694.db2.gz CEFSFLGMFLZSAS-ZDUSSCGKSA-N 1 1 277.799 3.154 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000249129231 377467194 /nfs/dbraw/zinc/46/71/94/377467194.db2.gz KOHSJNJWRUVOQN-KDOFPFPSSA-N 1 1 294.402 3.146 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccccc1C(C)(C)C#N ZINC000568182525 377515714 /nfs/dbraw/zinc/51/57/14/377515714.db2.gz RQKAADHYDZEIPH-AWEZNQCLSA-N 1 1 255.365 3.270 20 30 CGEDMO CCC[C@]1(CO)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000573479048 377558513 /nfs/dbraw/zinc/55/85/13/377558513.db2.gz GPSWGWRJLYXTDH-KRWDZBQOSA-N 1 1 291.822 3.176 20 30 CGEDMO CCC[C@]1(CO)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000573479048 377558520 /nfs/dbraw/zinc/55/85/20/377558520.db2.gz GPSWGWRJLYXTDH-KRWDZBQOSA-N 1 1 291.822 3.176 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)N[C@@H](C)c1ccc(C)c(C)c1 ZINC000573643586 377558801 /nfs/dbraw/zinc/55/88/01/377558801.db2.gz GGJRHJPTDGZVBH-INIZCTEOSA-N 1 1 288.435 3.379 20 30 CGEDMO C=CC[N@H+](CCc1cnn(C)c1)Cc1ccc(Cl)s1 ZINC000265461225 190183966 /nfs/dbraw/zinc/18/39/66/190183966.db2.gz XLMGYAKFIMMPMZ-UHFFFAOYSA-N 1 1 295.839 3.366 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCCCC[C@H]1CCO ZINC000342058530 377628304 /nfs/dbraw/zinc/62/83/04/377628304.db2.gz JYYLSUIOFHZMTE-HNNXBMFYSA-N 1 1 266.429 3.333 20 30 CGEDMO C=CC[C@@H](C)NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000342522311 377655917 /nfs/dbraw/zinc/65/59/17/377655917.db2.gz ITKYLOWYXSDAHP-RISCZKNCSA-N 1 1 280.799 3.024 20 30 CGEDMO Cc1ccc(-c2noc([C@H](C)[NH2+]CCCC#N)n2)cc1F ZINC000342714561 377750564 /nfs/dbraw/zinc/75/05/64/377750564.db2.gz DHALSWPYRPUXSU-NSHDSACASA-N 1 1 288.326 3.139 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000342729628 377760799 /nfs/dbraw/zinc/76/07/99/377760799.db2.gz XKDBJRWZFNJSAF-CABCVRRESA-N 1 1 286.419 3.251 20 30 CGEDMO C=CCCC1(C(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000342745587 377771408 /nfs/dbraw/zinc/77/14/08/377771408.db2.gz SUAQREYMBBKCHH-UHFFFAOYSA-N 1 1 298.430 3.076 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000342758650 377775620 /nfs/dbraw/zinc/77/56/20/377775620.db2.gz VWYIKACFOPUBNN-ROUUACIJSA-N 1 1 284.403 3.001 20 30 CGEDMO C=CCCC(=O)N1c2ccc(C)cc2[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000263682518 377949855 /nfs/dbraw/zinc/94/98/55/377949855.db2.gz PCEKIMLYDQETEK-RDJZCZTQSA-N 1 1 284.403 3.096 20 30 CGEDMO CCCCCCC[N@@H+](CCCO)Cc1ccccn1 ZINC000265672216 378006868 /nfs/dbraw/zinc/00/68/68/378006868.db2.gz DVVRLZWWLPLEPQ-UHFFFAOYSA-N 1 1 264.413 3.236 20 30 CGEDMO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2ccc(CC#N)cc2)C1(C)C ZINC000343535923 378011424 /nfs/dbraw/zinc/01/14/24/378011424.db2.gz JXRSZOFJUACTCU-WMZOPIPTSA-N 1 1 286.419 3.388 20 30 CGEDMO CCC[N@H+](Cc1ccc(OCC#N)cc1)CC(C)C ZINC000264547992 377988568 /nfs/dbraw/zinc/98/85/68/377988568.db2.gz KFLDCBGDKLBSLH-UHFFFAOYSA-N 1 1 260.381 3.457 20 30 CGEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cc2n(n1)CCC2 ZINC000577995081 378029567 /nfs/dbraw/zinc/02/95/67/378029567.db2.gz YLSZWJUGQLLUMS-QWHCGFSZSA-N 1 1 280.375 3.113 20 30 CGEDMO C=CCNC(=O)[C@H](C)[N@@H+](CC)Cc1ccc2ccccc2c1 ZINC000343640594 378050169 /nfs/dbraw/zinc/05/01/69/378050169.db2.gz FYCLNTAYUVSUPG-HNNXBMFYSA-N 1 1 296.414 3.352 20 30 CGEDMO N#CCc1ccc(C[N@@H+](Cc2ccncc2)C2CC2)cc1 ZINC000343751536 378083146 /nfs/dbraw/zinc/08/31/46/378083146.db2.gz QDQKPYUQGWZXHP-UHFFFAOYSA-N 1 1 277.371 3.312 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+](C1CC1)C1CCCC1 ZINC000578962340 378117137 /nfs/dbraw/zinc/11/71/37/378117137.db2.gz JZVZLOMOQJXDFY-UHFFFAOYSA-N 1 1 285.347 3.373 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+](C1CC1)C1CCCC1 ZINC000578962340 378117143 /nfs/dbraw/zinc/11/71/43/378117143.db2.gz JZVZLOMOQJXDFY-UHFFFAOYSA-N 1 1 285.347 3.373 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000579310991 378148164 /nfs/dbraw/zinc/14/81/64/378148164.db2.gz BJMTZXKDMOJBBD-MRXNPFEDSA-N 1 1 290.370 3.282 20 30 CGEDMO CC(C)[C@H]1CCCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000268718185 378096025 /nfs/dbraw/zinc/09/60/25/378096025.db2.gz VIAJVEHRKKZOEU-IAGOWNOFSA-N 1 1 272.392 3.102 20 30 CGEDMO N#Cc1c(F)cccc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000269397610 378216433 /nfs/dbraw/zinc/21/64/33/378216433.db2.gz FHCGYJJCROOEIO-SUMWQHHRSA-N 1 1 299.393 3.150 20 30 CGEDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2CC2(C#N)CC2)c1 ZINC000344036222 378156099 /nfs/dbraw/zinc/15/60/99/378156099.db2.gz FXNZKRJGGLPVSP-CJNGLKHVSA-N 1 1 270.376 3.382 20 30 CGEDMO Cc1ccc(N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)nc1C#N ZINC000344973583 378181864 /nfs/dbraw/zinc/18/18/64/378181864.db2.gz KLIXUJWQCJVZIJ-OWCLPIDISA-N 1 1 298.434 3.103 20 30 CGEDMO N#CCCC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000581009471 378275614 /nfs/dbraw/zinc/27/56/14/378275614.db2.gz OWGUNVZIUDFXKH-UHFFFAOYSA-N 1 1 279.365 3.172 20 30 CGEDMO C[C@@H](C[N@@H+](C)Cc1ccc(C#N)cn1)c1ccccc1 ZINC000580209187 378233596 /nfs/dbraw/zinc/23/35/96/378233596.db2.gz WYLIDYVEGOZYOB-AWEZNQCLSA-N 1 1 265.360 3.189 20 30 CGEDMO C[N@H+](Cc1ccccc1C(C)(C)C#N)C[C@@H]1CCC[C@H]1O ZINC000270217746 378323432 /nfs/dbraw/zinc/32/34/32/378323432.db2.gz YURAYTKOSYEYFZ-DOTOQJQBSA-N 1 1 286.419 3.081 20 30 CGEDMO CO[C@]1(C)C[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1(C)C ZINC000345766584 378365008 /nfs/dbraw/zinc/36/50/08/378365008.db2.gz ZLIOFSPAMVXMIB-NVXWUHKLSA-N 1 1 290.382 3.333 20 30 CGEDMO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1(C)C ZINC000345766584 378365015 /nfs/dbraw/zinc/36/50/15/378365015.db2.gz ZLIOFSPAMVXMIB-NVXWUHKLSA-N 1 1 290.382 3.333 20 30 CGEDMO NC(CCCc1ccccc1)=[NH+]OCc1ncc(C2CC2)o1 ZINC000270464927 378355356 /nfs/dbraw/zinc/35/53/56/378355356.db2.gz SKODUKXMKRXZDD-UHFFFAOYSA-N 1 1 299.374 3.364 20 30 CGEDMO COCC[N@@H+](Cc1ccc(CC#N)cc1)C1CCCC1 ZINC000612063941 378407033 /nfs/dbraw/zinc/40/70/33/378407033.db2.gz ROGKQWIUGSHGTJ-UHFFFAOYSA-N 1 1 272.392 3.144 20 30 CGEDMO Cc1c(Br)cccc1C[N@@H+](C)C[C@H](C)C#N ZINC000270572873 378371644 /nfs/dbraw/zinc/37/16/44/378371644.db2.gz ODSWZXIAQPDVLH-SNVBAGLBSA-N 1 1 281.197 3.349 20 30 CGEDMO Cc1c(Br)cccc1C[N@H+](C)C[C@H](C)C#N ZINC000270572873 378371647 /nfs/dbraw/zinc/37/16/47/378371647.db2.gz ODSWZXIAQPDVLH-SNVBAGLBSA-N 1 1 281.197 3.349 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cc(C(=O)OC)c(C)o1 ZINC000584094202 378374716 /nfs/dbraw/zinc/37/47/16/378374716.db2.gz DKWUFMZEHMIEEF-UHFFFAOYSA-N 1 1 265.353 3.163 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1CC ZINC000270601303 378375163 /nfs/dbraw/zinc/37/51/63/378375163.db2.gz LSAYXAUFUFOXRK-MRXNPFEDSA-N 1 1 267.376 3.216 20 30 CGEDMO C[C@@H]1C[N@H+](CCC(C)(C)C#N)[C@@H](c2ccccc2)CO1 ZINC000270680771 378388167 /nfs/dbraw/zinc/38/81/67/378388167.db2.gz USUYXGQNGZHQQE-GDBMZVCRSA-N 1 1 272.392 3.388 20 30 CGEDMO C[C@@H]1C[N@@H+](CCC(C)(C)C#N)[C@@H](c2ccccc2)CO1 ZINC000270680771 378388175 /nfs/dbraw/zinc/38/81/75/378388175.db2.gz USUYXGQNGZHQQE-GDBMZVCRSA-N 1 1 272.392 3.388 20 30 CGEDMO C#CCCC[N@H+](C)[C@H]1CCCc2nc(CC)sc21 ZINC000271008152 378426376 /nfs/dbraw/zinc/42/63/76/378426376.db2.gz HKLDRXDCIKNNTD-ZDUSSCGKSA-N 1 1 262.422 3.428 20 30 CGEDMO CCOc1ncccc1C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000346158041 378484714 /nfs/dbraw/zinc/48/47/14/378484714.db2.gz HJMZSZDBFGESIT-GFCCVEGCSA-N 1 1 299.349 3.342 20 30 CGEDMO COC(C)(C)CC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000346269224 378527243 /nfs/dbraw/zinc/52/72/43/378527243.db2.gz DKUFKGAHUFTCPC-UHFFFAOYSA-N 1 1 272.392 3.338 20 30 CGEDMO C=C1CCN(Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CC1 ZINC000346219125 378509986 /nfs/dbraw/zinc/50/99/86/378509986.db2.gz RBABNSCBYWPSEH-UHFFFAOYSA-N 1 1 291.464 3.062 20 30 CGEDMO C=C(C)C[N@@H+](CC)C[C@H]1CCN(c2ccccc2)C1 ZINC000637837851 378597231 /nfs/dbraw/zinc/59/72/31/378597231.db2.gz MSTXCZVZNYKEQL-MRXNPFEDSA-N 1 1 258.409 3.411 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](CC[C@@H]3CCCO3)CC2)cc1 ZINC000346600191 378639816 /nfs/dbraw/zinc/63/98/16/378639816.db2.gz HALUSKWIALZJKF-SFHVURJKSA-N 1 1 282.387 3.216 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1nc(-c2ccco2)no1 ZINC000272330267 378614030 /nfs/dbraw/zinc/61/40/30/378614030.db2.gz WGAIZQDQFYSEHC-UHFFFAOYSA-N 1 1 299.330 3.153 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1nc(-c2ccco2)no1 ZINC000272330267 378614038 /nfs/dbraw/zinc/61/40/38/378614038.db2.gz WGAIZQDQFYSEHC-UHFFFAOYSA-N 1 1 299.330 3.153 20 30 CGEDMO C[C@@H]([NH2+]CCCCC#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272528283 378658596 /nfs/dbraw/zinc/65/85/96/378658596.db2.gz QPXQWDSRJAYNFW-SJLPKXTDSA-N 1 1 285.435 3.180 20 30 CGEDMO C=C(CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000346779135 378687147 /nfs/dbraw/zinc/68/71/47/378687147.db2.gz MSVWBGJOLUTUFR-HLLBOEOZSA-N 1 1 258.409 3.018 20 30 CGEDMO C=C(CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000346779135 378687153 /nfs/dbraw/zinc/68/71/53/378687153.db2.gz MSVWBGJOLUTUFR-HLLBOEOZSA-N 1 1 258.409 3.018 20 30 CGEDMO C=C(C[NH2+][C@@H]1C[C@H](C)N(C)C[C@H]1C)c1ccccc1 ZINC000346779135 378687159 /nfs/dbraw/zinc/68/71/59/378687159.db2.gz MSVWBGJOLUTUFR-HLLBOEOZSA-N 1 1 258.409 3.018 20 30 CGEDMO C[N@@H+](CCCC1CCOCC1)Cc1cccc(C#N)c1 ZINC000274237708 378796774 /nfs/dbraw/zinc/79/67/74/378796774.db2.gz VECIAQNCTYFIGK-UHFFFAOYSA-N 1 1 272.392 3.197 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCC3(CCC3)C2)c(F)c1 ZINC000348171891 378822236 /nfs/dbraw/zinc/82/22/36/378822236.db2.gz VXGQRLUSOKIYEC-UHFFFAOYSA-N 1 1 258.340 3.463 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)cc1C#N ZINC000348221958 378845038 /nfs/dbraw/zinc/84/50/38/378845038.db2.gz BZNXSZNTHQFYBH-MFKMUULPSA-N 1 1 298.308 3.340 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1ccc(C(N)=O)cc1 ZINC000348231730 378851248 /nfs/dbraw/zinc/85/12/48/378851248.db2.gz PFZDYQABYVXOSR-UHFFFAOYSA-N 1 1 294.398 3.364 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000348241139 378858892 /nfs/dbraw/zinc/85/88/92/378858892.db2.gz IJFRVOYLXVRHQK-ZWNOBZJWSA-N 1 1 298.308 3.340 20 30 CGEDMO C=C(C)CN1CCC([NH2+][C@@H](C)c2ccc(Cl)cn2)CC1 ZINC000274826480 378902913 /nfs/dbraw/zinc/90/29/13/378902913.db2.gz CGPIYGCTROUTTB-ZDUSSCGKSA-N 1 1 293.842 3.426 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000274977758 378924544 /nfs/dbraw/zinc/92/45/44/378924544.db2.gz BBFRFKOWZQIPCI-XJKSGUPXSA-N 1 1 280.375 3.222 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)[C@@H](C)c1cnc(C)nc1C ZINC000638917214 378952428 /nfs/dbraw/zinc/95/24/28/378952428.db2.gz CSOXSOHYYVMXKP-AWEZNQCLSA-N 1 1 285.391 3.478 20 30 CGEDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1CC(C)(C)CCC#N ZINC000348546431 378986696 /nfs/dbraw/zinc/98/66/96/378986696.db2.gz MTZRJWQOYJJLPA-CABCVRRESA-N 1 1 266.429 3.332 20 30 CGEDMO CC(=O)c1ccc(C#N)c(NC[C@H]2CCCC[N@H+]2C2CC2)c1 ZINC000277425521 379156528 /nfs/dbraw/zinc/15/65/28/379156528.db2.gz LZJFZMRWLHTPBX-QGZVFWFLSA-N 1 1 297.402 3.190 20 30 CGEDMO C=CC[N@H+](Cc1ccc(C(F)(F)F)cn1)C1CC1 ZINC000277613427 379199357 /nfs/dbraw/zinc/19/93/57/379199357.db2.gz FWSHAUNIJYZDHI-UHFFFAOYSA-N 1 1 256.271 3.251 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)cc1C#N ZINC000278856695 194184785 /nfs/dbraw/zinc/18/47/85/194184785.db2.gz RUKULNHCJZZRPM-LBPRGKRZSA-N 1 1 298.308 3.341 20 30 CGEDMO COc1ccc(C[N@H+]2CCCC23CCC3)cc1C#N ZINC000373104188 379224434 /nfs/dbraw/zinc/22/44/34/379224434.db2.gz MLYHPMCQGSNFJI-UHFFFAOYSA-N 1 1 256.349 3.085 20 30 CGEDMO C=CCCCCC[N@H+]1CCOC[C@H]1c1c(C)n[nH]c1C ZINC000373277583 379253246 /nfs/dbraw/zinc/25/32/46/379253246.db2.gz HLEYKVWHOLIEIL-HNNXBMFYSA-N 1 1 277.412 3.146 20 30 CGEDMO C=CCCCCC[N@@H+]1CCOC[C@H]1c1c(C)n[nH]c1C ZINC000373277583 379253255 /nfs/dbraw/zinc/25/32/55/379253255.db2.gz HLEYKVWHOLIEIL-HNNXBMFYSA-N 1 1 277.412 3.146 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2c3c(nn2C)CCCC3)C1 ZINC000639309458 379259104 /nfs/dbraw/zinc/25/91/04/379259104.db2.gz LSWMGQNWVSWRTH-AWEZNQCLSA-N 1 1 273.424 3.087 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)C/C(C)=C/c2ccccc2)n1 ZINC000279446495 379435597 /nfs/dbraw/zinc/43/55/97/379435597.db2.gz SDISRBDSIPVNJH-SAPNQHFASA-N 1 1 293.414 3.442 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)C/C(C)=C/c2ccccc2)n1 ZINC000279446495 379435607 /nfs/dbraw/zinc/43/56/07/379435607.db2.gz SDISRBDSIPVNJH-SAPNQHFASA-N 1 1 293.414 3.442 20 30 CGEDMO CC(C)(CCC#N)C[N@@H+]1CCOc2cccc(F)c2C1 ZINC000375007804 379482782 /nfs/dbraw/zinc/48/27/82/379482782.db2.gz GOVHPSUIMXMUEK-UHFFFAOYSA-N 1 1 276.355 3.350 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCOc2cccc(F)c2C1 ZINC000375007804 379482796 /nfs/dbraw/zinc/48/27/96/379482796.db2.gz GOVHPSUIMXMUEK-UHFFFAOYSA-N 1 1 276.355 3.350 20 30 CGEDMO C=CC[N@@H+](Cc1cc(-n2ccnc2)cs1)C1CC1 ZINC000350269768 379532950 /nfs/dbraw/zinc/53/29/50/379532950.db2.gz RVCYJPSDZMRATE-UHFFFAOYSA-N 1 1 259.378 3.084 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCSC2(CCOCC2)C1 ZINC000375718673 379507073 /nfs/dbraw/zinc/50/70/73/379507073.db2.gz KGTXTQSVLYHXRF-UHFFFAOYSA-N 1 1 296.480 3.304 20 30 CGEDMO CC[N@@H+](CCCc1nc(C)no1)[C@H](C)c1ccc(C#N)cc1 ZINC000266878384 190286757 /nfs/dbraw/zinc/28/67/57/190286757.db2.gz NIZJJHCGDPOKBT-CYBMUJFWSA-N 1 1 298.390 3.265 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000351103812 379644223 /nfs/dbraw/zinc/64/42/23/379644223.db2.gz RNMPYIJMWZMCHR-HNNXBMFYSA-N 1 1 274.408 3.447 20 30 CGEDMO CCc1cc(CCC[N@@H+](C)Cc2cccc(C#N)c2)on1 ZINC000347703894 218327592 /nfs/dbraw/zinc/32/75/92/218327592.db2.gz HWJQOPHHESEMHU-UHFFFAOYSA-N 1 1 283.375 3.173 20 30 CGEDMO C=C(C)CC[N@@H+](CCCO)Cc1cccc(Cl)c1 ZINC000351723618 379742606 /nfs/dbraw/zinc/74/26/06/379742606.db2.gz ZTNSDCUCICVMRJ-UHFFFAOYSA-N 1 1 267.800 3.491 20 30 CGEDMO C=C(C)CC[N@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 ZINC000351866762 379748340 /nfs/dbraw/zinc/74/83/40/379748340.db2.gz XQESQMFSOGROMN-SFHVURJKSA-N 1 1 298.430 3.002 20 30 CGEDMO CO[C@@]1(C)CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000280641108 379753480 /nfs/dbraw/zinc/75/34/80/379753480.db2.gz YGBYANHPDGJWON-KRWDZBQOSA-N 1 1 275.367 3.068 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3ccco3)C2)s1 ZINC000378347277 379808974 /nfs/dbraw/zinc/80/89/74/379808974.db2.gz VAYZYDUPDGGIPD-LLVKDONJSA-N 1 1 258.346 3.202 20 30 CGEDMO C#CCC(C)(C)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000281594367 379840023 /nfs/dbraw/zinc/84/00/23/379840023.db2.gz MXQDRDKHZFPSMI-UHFFFAOYSA-N 1 1 292.810 3.390 20 30 CGEDMO Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)nn1C ZINC000282097658 379852233 /nfs/dbraw/zinc/85/22/33/379852233.db2.gz IMNQKMNYFBKKBF-STQMWFEESA-N 1 1 268.364 3.012 20 30 CGEDMO Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000281153000 379819957 /nfs/dbraw/zinc/81/99/57/379819957.db2.gz FQPKUXDNTSDJMA-QGZVFWFLSA-N 1 1 280.375 3.019 20 30 CGEDMO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000281153000 379819968 /nfs/dbraw/zinc/81/99/68/379819968.db2.gz FQPKUXDNTSDJMA-QGZVFWFLSA-N 1 1 280.375 3.019 20 30 CGEDMO C=CCCCn1cc([C@H]([NH3+])c2ccc(Cl)cc2F)nn1 ZINC000640935676 379876411 /nfs/dbraw/zinc/87/64/11/379876411.db2.gz HZWUYZWZDSITKQ-CQSZACIVSA-N 1 1 294.761 3.085 20 30 CGEDMO C=CCCCCn1cc(C[NH2+][C@H]2CCc3ccccc32)nn1 ZINC000640938917 379879080 /nfs/dbraw/zinc/87/90/80/379879080.db2.gz FUDSTJSFLSBGAQ-SFHVURJKSA-N 1 1 296.418 3.412 20 30 CGEDMO CCc1nc(C[NH2+]Cc2ccc(CC#N)cc2)cs1 ZINC000399031659 379933497 /nfs/dbraw/zinc/93/34/97/379933497.db2.gz MBXHOHYIQWIGFL-UHFFFAOYSA-N 1 1 271.389 3.061 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000399682067 379942486 /nfs/dbraw/zinc/94/24/86/379942486.db2.gz RJHFKZONOYXHKO-XQQFMLRXSA-N 1 1 258.365 3.043 20 30 CGEDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000399748992 379943258 /nfs/dbraw/zinc/94/32/58/379943258.db2.gz LDEORONRTYXTFJ-WFASDCNBSA-N 1 1 258.365 3.187 20 30 CGEDMO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1cc(C)ccc1C ZINC000267861609 190359382 /nfs/dbraw/zinc/35/93/82/190359382.db2.gz IYLMWLBHPYMZDP-HNNXBMFYSA-N 1 1 272.392 3.304 20 30 CGEDMO CCC1(CC)CC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000267998237 190368393 /nfs/dbraw/zinc/36/83/93/190368393.db2.gz CCMYBUFENLEHKE-UHFFFAOYSA-N 1 1 291.420 3.070 20 30 CGEDMO CCC1(CC)CC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000267998237 190368394 /nfs/dbraw/zinc/36/83/94/190368394.db2.gz CCMYBUFENLEHKE-UHFFFAOYSA-N 1 1 291.420 3.070 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cccc(OCC)n1 ZINC000352928731 380043891 /nfs/dbraw/zinc/04/38/91/380043891.db2.gz DGWIUXNRJNEYNW-UHFFFAOYSA-N 1 1 286.375 3.304 20 30 CGEDMO COc1c(C)cc(C[N@@H+](C)[C@H](C)CCC#N)cc1C ZINC000411224123 380137130 /nfs/dbraw/zinc/13/71/30/380137130.db2.gz IYBCRFXNUMWZBM-CQSZACIVSA-N 1 1 260.381 3.436 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](O)COc1ccc(SC)cc1 ZINC000411293975 380138476 /nfs/dbraw/zinc/13/84/76/380138476.db2.gz OWXPGEHCZXDMBE-AWEZNQCLSA-N 1 1 295.448 3.046 20 30 CGEDMO C[C@H]1C[C@@H](Nc2ccc(C#N)cn2)C[N@H+]1Cc1ccccc1 ZINC000268117794 190378038 /nfs/dbraw/zinc/37/80/38/190378038.db2.gz FFWQOAKVNKPKEE-WMLDXEAASA-N 1 1 292.386 3.028 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)[C@H](C)c1ncc(C)o1 ZINC000411489730 380149735 /nfs/dbraw/zinc/14/97/35/380149735.db2.gz KVJDFVSTXXAMMR-CYBMUJFWSA-N 1 1 260.337 3.368 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)[C@H](C)c1ncc(C)o1 ZINC000411489730 380149741 /nfs/dbraw/zinc/14/97/41/380149741.db2.gz KVJDFVSTXXAMMR-CYBMUJFWSA-N 1 1 260.337 3.368 20 30 CGEDMO C[C@@H](CN[C@@H]1CCc2ccc(C#N)cc21)[N@@H+]1CCCC[C@H]1C ZINC000353424487 380206257 /nfs/dbraw/zinc/20/62/57/380206257.db2.gz HJTMEDXVYVTWLC-ZRGWGRIASA-N 1 1 297.446 3.398 20 30 CGEDMO C[C@@H](CN[C@@H]1CCc2ccc(C#N)cc21)[N@H+]1CCCC[C@H]1C ZINC000353424487 380206261 /nfs/dbraw/zinc/20/62/61/380206261.db2.gz HJTMEDXVYVTWLC-ZRGWGRIASA-N 1 1 297.446 3.398 20 30 CGEDMO CC(C)(CC#N)C[NH2+][C@@H](c1ncc[nH]1)c1ccccc1 ZINC000414159185 380193843 /nfs/dbraw/zinc/19/38/43/380193843.db2.gz AZFRXVOAYPGORJ-CQSZACIVSA-N 1 1 268.364 3.029 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](Oc2ccccc2OC)C1 ZINC000353261823 380196116 /nfs/dbraw/zinc/19/61/16/380196116.db2.gz QYNMSMOZZTTWQM-AWEZNQCLSA-N 1 1 261.365 3.115 20 30 CGEDMO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000412045118 380158546 /nfs/dbraw/zinc/15/85/46/380158546.db2.gz PBQYKDSIBQZYTA-LLVKDONJSA-N 1 1 273.336 3.087 20 30 CGEDMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000412045118 380158552 /nfs/dbraw/zinc/15/85/52/380158552.db2.gz PBQYKDSIBQZYTA-LLVKDONJSA-N 1 1 273.336 3.087 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)Cc1cnc(CC)nc1 ZINC000414372953 380216787 /nfs/dbraw/zinc/21/67/87/380216787.db2.gz QUSJSQWHYGGOSL-UHFFFAOYSA-N 1 1 267.376 3.227 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cnc(CC)nc1 ZINC000414372953 380216790 /nfs/dbraw/zinc/21/67/90/380216790.db2.gz QUSJSQWHYGGOSL-UHFFFAOYSA-N 1 1 267.376 3.227 20 30 CGEDMO C[N@H+](Cc1cccc(OCCCC#N)c1)CC(C)(C)C#N ZINC000354041435 380294128 /nfs/dbraw/zinc/29/41/28/380294128.db2.gz UCTQJQQWPOYDDG-UHFFFAOYSA-N 1 1 285.391 3.351 20 30 CGEDMO C[N@@H+](Cc1cccc(OCCCC#N)c1)CC(C)(C)C#N ZINC000354041435 380294131 /nfs/dbraw/zinc/29/41/31/380294131.db2.gz UCTQJQQWPOYDDG-UHFFFAOYSA-N 1 1 285.391 3.351 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000643391196 380303752 /nfs/dbraw/zinc/30/37/52/380303752.db2.gz WWWIFSLLLOSOHG-PKOBYXMFSA-N 1 1 285.431 3.106 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1nc2c(s1)CCC2 ZINC000355123069 380584854 /nfs/dbraw/zinc/58/48/54/380584854.db2.gz PKTPSMGOGSCJDN-LLVKDONJSA-N 1 1 283.400 3.354 20 30 CGEDMO N#Cc1cccc(OCCC[N@H+]2CC[C@H]3CCC[C@H]32)c1 ZINC000355100479 380570961 /nfs/dbraw/zinc/57/09/61/380570961.db2.gz HMUAMAOTWZOJCO-NVXWUHKLSA-N 1 1 270.376 3.202 20 30 CGEDMO CC[N@H+](CCC(=O)Nc1ccccc1C#N)CCC1CC1 ZINC000355062254 380571770 /nfs/dbraw/zinc/57/17/70/380571770.db2.gz QHGMOQRNTFUCHK-UHFFFAOYSA-N 1 1 285.391 3.009 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCSC[C@@H]2C2CCC2)c1 ZINC000418131095 380709507 /nfs/dbraw/zinc/70/95/07/380709507.db2.gz VYSFVZFVSKRUFT-MRXNPFEDSA-N 1 1 272.417 3.276 20 30 CGEDMO N#Cc1ccc(C[N@@H+](CC2CC2)C2CCC2)c(F)c1 ZINC000355741205 380765497 /nfs/dbraw/zinc/76/54/97/380765497.db2.gz ZEQZLEGDMOHDDF-UHFFFAOYSA-N 1 1 258.340 3.462 20 30 CGEDMO C=CC[N@@H+](CCC[C@H]1CCOC1)CCc1ccco1 ZINC000645848608 380751713 /nfs/dbraw/zinc/75/17/13/380751713.db2.gz YSJOLGOZBAJDFV-HNNXBMFYSA-N 1 1 263.381 3.127 20 30 CGEDMO C[N@@H+](CCOCCC#N)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419330183 380806039 /nfs/dbraw/zinc/80/60/39/380806039.db2.gz HRRAZTJQPDUMAK-KBPBESRZSA-N 1 1 252.402 3.063 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](CC(F)(F)F)C2)C1 ZINC000420957116 380866094 /nfs/dbraw/zinc/86/60/94/380866094.db2.gz ZEWPZOULANYTGO-WOPDTQHZSA-N 1 1 260.303 3.343 20 30 CGEDMO CC[N@@H+](CCOc1ccccc1C)[C@@H]1CC[C@H](C#N)C1 ZINC000420970769 380867259 /nfs/dbraw/zinc/86/72/59/380867259.db2.gz GPBYIFGXTUQNPG-JKSUJKDBSA-N 1 1 272.392 3.388 20 30 CGEDMO C=CCOCCC[N@@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000420933256 380861979 /nfs/dbraw/zinc/86/19/79/380861979.db2.gz WAYKFSKLZCSWAJ-LSDHHAIUSA-N 1 1 297.439 3.021 20 30 CGEDMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1ccc(C#N)cc1OC ZINC000357556521 381207212 /nfs/dbraw/zinc/20/72/12/381207212.db2.gz UXMXYBDINMWTAJ-DOMZBBRYSA-N 1 1 258.365 3.330 20 30 CGEDMO C[C@@H]1CCC[C@H](C)[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000357739559 381271630 /nfs/dbraw/zinc/27/16/30/381271630.db2.gz HVMSYFSYTNHUKF-KGLIPLIRSA-N 1 1 285.391 3.007 20 30 CGEDMO C[C@@H](C#N)C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000357829909 381285110 /nfs/dbraw/zinc/28/51/10/381285110.db2.gz OTBBGGIJFYAWOY-UONOGXRCSA-N 1 1 285.391 3.159 20 30 CGEDMO C=C(CC)C[N@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000358621060 381319288 /nfs/dbraw/zinc/31/92/88/381319288.db2.gz RHAQMGFZDPZTCY-UHFFFAOYSA-N 1 1 255.365 3.475 20 30 CGEDMO C=C(CC)C[N@@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000358621060 381319292 /nfs/dbraw/zinc/31/92/92/381319292.db2.gz RHAQMGFZDPZTCY-UHFFFAOYSA-N 1 1 255.365 3.475 20 30 CGEDMO C=C(CC)C[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000358614194 381319353 /nfs/dbraw/zinc/31/93/53/381319353.db2.gz LLTQPZFUBJDHDB-QGZVFWFLSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C(CC)CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000358614194 381319356 /nfs/dbraw/zinc/31/93/56/381319356.db2.gz LLTQPZFUBJDHDB-QGZVFWFLSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C(CC)CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000358614194 381319359 /nfs/dbraw/zinc/31/93/59/381319359.db2.gz LLTQPZFUBJDHDB-QGZVFWFLSA-N 1 1 258.409 3.159 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@@H]2C2CCOCC2)ccc1C#N ZINC000334852495 207186297 /nfs/dbraw/zinc/18/62/97/207186297.db2.gz OYTLFSKFDPNLPY-GOSISDBHSA-N 1 1 284.403 3.258 20 30 CGEDMO Cc1ccc(C[N@@H+](CCO)CCCCC(C)(C)C#N)o1 ZINC000361508610 381780427 /nfs/dbraw/zinc/78/04/27/381780427.db2.gz NRZXCLVYVBMBAS-UHFFFAOYSA-N 1 1 278.396 3.102 20 30 CGEDMO C=CC[N@H+](CCOC)[C@H]1CCc2c1cccc2Cl ZINC000361998139 381878593 /nfs/dbraw/zinc/87/85/93/381878593.db2.gz BQIYOYHVEIKYSE-HNNXBMFYSA-N 1 1 265.784 3.462 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H]1c1ccccc1 ZINC000362190005 381904927 /nfs/dbraw/zinc/90/49/27/381904927.db2.gz NIWQRZUWIPSKPI-RDJZCZTQSA-N 1 1 286.419 3.247 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)o1 ZINC000362391032 381972902 /nfs/dbraw/zinc/97/29/02/381972902.db2.gz YBKVMIMSLVPJTQ-QZTJIDSGSA-N 1 1 296.370 3.239 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000367013653 382328036 /nfs/dbraw/zinc/32/80/36/382328036.db2.gz AZBQZKSLKVLHPJ-MRXNPFEDSA-N 1 1 280.412 3.038 20 30 CGEDMO CC1(C)C[N@H+](Cc2ccc(F)c(C#N)c2)[C@H]1[C@@H]1CCCO1 ZINC000289382526 197321549 /nfs/dbraw/zinc/32/15/49/197321549.db2.gz BSVLFIGRMUNMLK-HOTGVXAUSA-N 1 1 288.366 3.087 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(F)c(C#N)c2)[C@H]1[C@@H]1CCCO1 ZINC000289382526 197321551 /nfs/dbraw/zinc/32/15/51/197321551.db2.gz BSVLFIGRMUNMLK-HOTGVXAUSA-N 1 1 288.366 3.087 20 30 CGEDMO CC1(C)C[N@H+](Cc2ccc(F)c(C#N)c2)[C@H]1[C@H]1CCCO1 ZINC000289382523 197320902 /nfs/dbraw/zinc/32/09/02/197320902.db2.gz BSVLFIGRMUNMLK-CVEARBPZSA-N 1 1 288.366 3.087 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(F)c(C#N)c2)[C@H]1[C@H]1CCCO1 ZINC000289382523 197320903 /nfs/dbraw/zinc/32/09/03/197320903.db2.gz BSVLFIGRMUNMLK-CVEARBPZSA-N 1 1 288.366 3.087 20 30 CGEDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc(C#N)s1 ZINC000289241240 197272364 /nfs/dbraw/zinc/27/23/64/197272364.db2.gz DSRDUALPBOQSHK-OLZOCXBDSA-N 1 1 278.421 3.135 20 30 CGEDMO CSCC[C@@H](C)[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428383626 533592771 /nfs/dbraw/zinc/59/27/71/533592771.db2.gz ACFIDJXLFBHYLL-LLVKDONJSA-N 1 1 266.385 3.271 20 30 CGEDMO C[N@@H+](CCOc1cccc(C#N)c1)CC1CCCCC1 ZINC000048331245 391996786 /nfs/dbraw/zinc/99/67/86/391996786.db2.gz TUMJQSSCEJNYQR-UHFFFAOYSA-N 1 1 272.392 3.449 20 30 CGEDMO C[C@H]1CCC[C@H]([N@@H+](C)CCOc2ccccc2C#N)C1 ZINC000048554271 392003811 /nfs/dbraw/zinc/00/38/11/392003811.db2.gz MAFWVWRMLKPWER-HOCLYGCPSA-N 1 1 272.392 3.448 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000026323150 391951028 /nfs/dbraw/zinc/95/10/28/391951028.db2.gz UCLAJWTUIOMWMF-UHFFFAOYSA-N 1 1 281.315 3.098 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](CNc2cc(Cl)ccc2C#N)C1 ZINC000062785368 392133240 /nfs/dbraw/zinc/13/32/40/392133240.db2.gz RSADWWLQVHXRIQ-GFCCVEGCSA-N 1 1 277.799 3.354 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H](C)S1 ZINC000070383223 392182349 /nfs/dbraw/zinc/18/23/49/392182349.db2.gz GCKILWXHHJUJFI-PHIMTYICSA-N 1 1 264.369 3.023 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H](C)S1 ZINC000070383223 392182352 /nfs/dbraw/zinc/18/23/52/392182352.db2.gz GCKILWXHHJUJFI-PHIMTYICSA-N 1 1 264.369 3.023 20 30 CGEDMO CC[C@H](CSC)[N@@H+](C)CCOc1ccccc1C#N ZINC000091097177 392229985 /nfs/dbraw/zinc/22/99/85/392229985.db2.gz ILWIYDGKZHYJNX-CQSZACIVSA-N 1 1 278.421 3.010 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)CC1(COC)CCC1 ZINC000361300572 392276560 /nfs/dbraw/zinc/27/65/60/392276560.db2.gz RYFKQVVLHJFART-UHFFFAOYSA-N 1 1 259.393 3.491 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1c(C)nn(-c2ccccn2)c1C ZINC000282810477 392295416 /nfs/dbraw/zinc/29/54/16/392295416.db2.gz OGUBLGJWFBHDPZ-UHFFFAOYSA-N 1 1 284.407 3.282 20 30 CGEDMO CC(C)[C@@H]1CCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000109462008 392357843 /nfs/dbraw/zinc/35/78/43/392357843.db2.gz YZDLLAYIPKAOPM-INIZCTEOSA-N 1 1 258.365 3.057 20 30 CGEDMO C=CCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000286234417 392378866 /nfs/dbraw/zinc/37/88/66/392378866.db2.gz ZHXFYUPZPLEWDR-IXDOHACOSA-N 1 1 257.377 3.067 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000287389442 392397238 /nfs/dbraw/zinc/39/72/38/392397238.db2.gz NJFOWXILAMZLRB-ZDUSSCGKSA-N 1 1 261.369 3.440 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000287389442 392397246 /nfs/dbraw/zinc/39/72/46/392397246.db2.gz NJFOWXILAMZLRB-ZDUSSCGKSA-N 1 1 261.369 3.440 20 30 CGEDMO CCC[C@]1(CO)CC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000288803709 392409765 /nfs/dbraw/zinc/40/97/65/392409765.db2.gz LZLMSIPXZWDJLY-INIZCTEOSA-N 1 1 292.810 3.196 20 30 CGEDMO CCC[C@]1(CO)CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000288803709 392409769 /nfs/dbraw/zinc/40/97/69/392409769.db2.gz LZLMSIPXZWDJLY-INIZCTEOSA-N 1 1 292.810 3.196 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000121164233 392409472 /nfs/dbraw/zinc/40/94/72/392409472.db2.gz YKCQHHBRAPSCTN-AWEZNQCLSA-N 1 1 292.398 3.071 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000150886390 392482089 /nfs/dbraw/zinc/48/20/89/392482089.db2.gz MVVZKTDDFAMGSH-UHFFFAOYSA-N 1 1 286.379 3.310 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCCOCC2)cc1Cl ZINC000372434311 392611989 /nfs/dbraw/zinc/61/19/89/392611989.db2.gz ZRNCRTKLLIRDFT-UHFFFAOYSA-N 1 1 281.783 3.127 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCCOCC2)cc1Cl ZINC000372434311 392611991 /nfs/dbraw/zinc/61/19/91/392611991.db2.gz ZRNCRTKLLIRDFT-UHFFFAOYSA-N 1 1 281.783 3.127 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000374406762 392678359 /nfs/dbraw/zinc/67/83/59/392678359.db2.gz QNXJVUDWQROTRO-RDJZCZTQSA-N 1 1 298.430 3.346 20 30 CGEDMO Cc1nc(CCNC(=O)CC[C@H]2CCCC[N@@H+]2C)c(C)o1 ZINC000329535343 392686729 /nfs/dbraw/zinc/68/67/29/392686729.db2.gz LIHRLSJOWICVEQ-CQSZACIVSA-N 1 1 293.411 3.055 20 30 CGEDMO C[C@H]1C[C@@H](N(C)CC#Cc2ccc(Cl)cc2)CC[N@H+]1C ZINC000177292414 392660791 /nfs/dbraw/zinc/66/07/91/392660791.db2.gz AOQGPYSYAQZNTA-YOEHRIQHSA-N 1 1 290.838 3.106 20 30 CGEDMO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(Cl)s1 ZINC000182969942 392752161 /nfs/dbraw/zinc/75/21/61/392752161.db2.gz YFPQINRRZPVUMP-VHSXEESVSA-N 1 1 267.785 3.496 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(OC)cc1OC(F)F ZINC000181052301 392717330 /nfs/dbraw/zinc/71/73/30/392717330.db2.gz LHGAMCKYLRMLGA-UHFFFAOYSA-N 1 1 271.307 3.305 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(OC(F)F)c(F)c1 ZINC000181050170 392717464 /nfs/dbraw/zinc/71/74/64/392717464.db2.gz VJBFDHANVOGRNO-UHFFFAOYSA-N 1 1 259.271 3.435 20 30 CGEDMO Cc1cc(C#N)ccc1CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000186247575 392779847 /nfs/dbraw/zinc/77/98/47/392779847.db2.gz JSOCTAAKKZAUJE-MOPGFXCFSA-N 1 1 297.446 3.314 20 30 CGEDMO N#Cc1ccc(C[N@H+](C[C@@H](O)CC2CCCC2)C2CC2)cc1 ZINC000190460389 392816046 /nfs/dbraw/zinc/81/60/46/392816046.db2.gz PBVLQZMFAFSTSM-IBGZPJMESA-N 1 1 298.430 3.464 20 30 CGEDMO C=CCNC(=O)C[N@H+](CCC)[C@@H](CC)c1ccccc1 ZINC000519907149 392902853 /nfs/dbraw/zinc/90/28/53/392902853.db2.gz MJCODWCBNFHKIH-INIZCTEOSA-N 1 1 274.408 3.152 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@@H]1CNc2ccnn2C1 ZINC000648029903 392878532 /nfs/dbraw/zinc/87/85/32/392878532.db2.gz ZLGRZZAZJPHMKT-KRWDZBQOSA-N 1 1 296.418 3.003 20 30 CGEDMO C=CCOCC[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000338888162 392934304 /nfs/dbraw/zinc/93/43/04/392934304.db2.gz WAXKYXUOITZWLK-UHFFFAOYSA-N 1 1 261.340 3.117 20 30 CGEDMO CC(C)C[C@@H]1CCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000396870572 392944125 /nfs/dbraw/zinc/94/41/25/392944125.db2.gz NWZRSWOLNJNROI-KRWDZBQOSA-N 1 1 299.418 3.397 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000513241720 542730838 /nfs/dbraw/zinc/73/08/38/542730838.db2.gz KZSWESLQPGXSJH-BHYGNILZSA-N 1 1 259.393 3.397 20 30 CGEDMO N#CCCOCC[N@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000339022249 392941571 /nfs/dbraw/zinc/94/15/71/392941571.db2.gz DFFKJQUMUUKVRH-SFHVURJKSA-N 1 1 286.419 3.404 20 30 CGEDMO CC[C@@H](Cc1ccccc1)[N@@H+](CC)CCOCCC#N ZINC000339020398 392941599 /nfs/dbraw/zinc/94/15/99/392941599.db2.gz ZYOAQLDHFKZITJ-KRWDZBQOSA-N 1 1 274.408 3.260 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN([C@@H]2CC[C@H](C#N)C2)C1 ZINC000339033563 392941643 /nfs/dbraw/zinc/94/16/43/392941643.db2.gz ZRMJEVOURQPENU-DMRKSPOLSA-N 1 1 275.440 3.016 20 30 CGEDMO CC(C)O[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000404580275 392968361 /nfs/dbraw/zinc/96/83/61/392968361.db2.gz PKHAFVFUZUQXLC-OAHLLOKOSA-N 1 1 276.355 3.087 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC(F)(F)C[C@H]1C ZINC000528765202 392971153 /nfs/dbraw/zinc/97/11/53/392971153.db2.gz AVGFAFZCBZXZDJ-GFCCVEGCSA-N 1 1 264.319 3.486 20 30 CGEDMO CCN1CC[C@H]([NH2+]CCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000411702671 392986077 /nfs/dbraw/zinc/98/60/77/392986077.db2.gz ZSQALBIPXKLXDS-LSDHHAIUSA-N 1 1 295.789 3.118 20 30 CGEDMO C=C(C)C[N@H+](CCC1(O)CCC1)Cc1cnn(C(C)C)c1 ZINC000411715582 392986997 /nfs/dbraw/zinc/98/69/97/392986997.db2.gz CLKIQQGKTAKNRM-UHFFFAOYSA-N 1 1 291.439 3.147 20 30 CGEDMO COC[C@@H]1CCCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411810579 392988913 /nfs/dbraw/zinc/98/89/13/392988913.db2.gz QWDFTHHLPWAPMZ-HNNXBMFYSA-N 1 1 264.413 3.351 20 30 CGEDMO C=CCC[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412001323 392992007 /nfs/dbraw/zinc/99/20/07/392992007.db2.gz PWXXNDKCVKKRLP-MRXNPFEDSA-N 1 1 257.377 3.416 20 30 CGEDMO C[C@@H]1[C@@H](CO)CCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000412076070 392994205 /nfs/dbraw/zinc/99/42/05/392994205.db2.gz JJRXFNBFIOYFRQ-GDBMZVCRSA-N 1 1 286.419 3.081 20 30 CGEDMO N#CC1(C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)CC1 ZINC000343313733 393024692 /nfs/dbraw/zinc/02/46/92/393024692.db2.gz JZTUTPCGVWHLQV-INIZCTEOSA-N 1 1 252.361 3.442 20 30 CGEDMO CCN(CC1(C#N)CC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000343319300 393026367 /nfs/dbraw/zinc/02/63/67/393026367.db2.gz ZLIAVBVVVGMVKY-AEFFLSMTSA-N 1 1 297.446 3.448 20 30 CGEDMO C=CC[N@H+](CCn1ccnc1C)CC1CCCCC1 ZINC000346281338 393082329 /nfs/dbraw/zinc/08/23/29/393082329.db2.gz TWMPLSCEMZNBQS-UHFFFAOYSA-N 1 1 261.413 3.260 20 30 CGEDMO C[C@H]1COC[C@@H](c2ccccc2)[N@@H+]1CCC(C)(C)C#N ZINC000346993143 393098506 /nfs/dbraw/zinc/09/85/06/393098506.db2.gz VODZFDHRVOOHMU-HOCLYGCPSA-N 1 1 272.392 3.388 20 30 CGEDMO C[C@H]1COC[C@@H](c2ccccc2)[N@H+]1CCC(C)(C)C#N ZINC000346993143 393098511 /nfs/dbraw/zinc/09/85/11/393098511.db2.gz VODZFDHRVOOHMU-HOCLYGCPSA-N 1 1 272.392 3.388 20 30 CGEDMO C=C(C)CCN1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000351872588 393197222 /nfs/dbraw/zinc/19/72/22/393197222.db2.gz DUBXXSOYDYPZRJ-XHSDSOJGSA-N 1 1 250.430 3.290 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+]1CC=C(c2cccc(C)c2)CC1 ZINC000649406914 393414499 /nfs/dbraw/zinc/41/44/99/393414499.db2.gz HNHDOPAXYRMFGW-KRWDZBQOSA-N 1 1 257.377 3.021 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2nc(C#N)cs2)[C@H]2CCCC[C@H]12 ZINC000356420549 393440134 /nfs/dbraw/zinc/44/01/34/393440134.db2.gz SGAGVKNUBHHREB-RTXFEEFZSA-N 1 1 261.394 3.025 20 30 CGEDMO Cc1cc(C[N@H+](C)[C@@H](C)c2cccnc2)ccc1C#N ZINC000488162942 393465778 /nfs/dbraw/zinc/46/57/78/393465778.db2.gz YASLXYPNDPBSNU-AWEZNQCLSA-N 1 1 265.360 3.455 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)c(C)c1)Cc1ccccn1 ZINC000488193067 393469127 /nfs/dbraw/zinc/46/91/27/393469127.db2.gz IJNQHIVDUQUZMF-UHFFFAOYSA-N 1 1 265.360 3.284 20 30 CGEDMO C[C@@H]1CC[C@@H]([N@@H+](C)Cc2cn3ccccc3c2C#N)C1 ZINC000429561275 393479639 /nfs/dbraw/zinc/47/96/39/393479639.db2.gz QFTXCRMWIOUFFF-UKRRQHHQSA-N 1 1 267.376 3.431 20 30 CGEDMO C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000488316564 393485427 /nfs/dbraw/zinc/48/54/27/393485427.db2.gz GJYVFAZCPNEWAX-DZUCGIPZSA-N 1 1 254.377 3.414 20 30 CGEDMO N#Cc1ccc(C[NH+]2CCCCC2)c(OC(F)F)c1 ZINC000429864016 393507149 /nfs/dbraw/zinc/50/71/49/393507149.db2.gz DGTDWNKRDRWRJF-UHFFFAOYSA-N 1 1 266.291 3.146 20 30 CGEDMO C=CCCCC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NC1CC1 ZINC000649661636 393530086 /nfs/dbraw/zinc/53/00/86/393530086.db2.gz HLMRHLSEURINCB-GOSISDBHSA-N 1 1 298.430 3.048 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000649663481 393532271 /nfs/dbraw/zinc/53/22/71/393532271.db2.gz HOHIWAAVNJAMGE-IAGOWNOFSA-N 1 1 277.383 3.116 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000359080829 393534439 /nfs/dbraw/zinc/53/44/39/393534439.db2.gz KOFBVIWEQSAOOA-XHSDSOJGSA-N 1 1 278.440 3.207 20 30 CGEDMO C[C@@H]1CC[C@]2(CC[N@@H+](CCCSCC#N)C2)C1 ZINC000360681863 393573242 /nfs/dbraw/zinc/57/32/42/393573242.db2.gz RYXUSKZDXUPLBK-KGLIPLIRSA-N 1 1 252.427 3.145 20 30 CGEDMO CC(C)C[N@H+](Cc1cocn1)Cc1ccc(C#N)cc1 ZINC000432738039 393632832 /nfs/dbraw/zinc/63/28/32/393632832.db2.gz OPNWEBAYJPQEMK-UHFFFAOYSA-N 1 1 269.348 3.204 20 30 CGEDMO CC(C)C[N@@H+](Cc1cocn1)Cc1ccc(C#N)cc1 ZINC000432738039 393632835 /nfs/dbraw/zinc/63/28/35/393632835.db2.gz OPNWEBAYJPQEMK-UHFFFAOYSA-N 1 1 269.348 3.204 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cccc(C(=O)OC)c1 ZINC000361107907 393673842 /nfs/dbraw/zinc/67/38/42/393673842.db2.gz BCPNGNWWDOGDBX-OAHLLOKOSA-N 1 1 259.349 3.014 20 30 CGEDMO C=C[C@@H]1OCC[C@H]1CNc1cc[nH+]c2ccsc21 ZINC000425289039 393691395 /nfs/dbraw/zinc/69/13/95/393691395.db2.gz YRRSIZISPPSGKV-GWCFXTLKSA-N 1 1 260.362 3.299 20 30 CGEDMO Cc1cc(C)c(C#N)c(N[C@@H]2CC[N@@H+](CC3CCCC3)C2)n1 ZINC000361176760 393694197 /nfs/dbraw/zinc/69/41/97/393694197.db2.gz FWIPIFJQNXLMJB-MRXNPFEDSA-N 1 1 298.434 3.247 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000443662060 393770414 /nfs/dbraw/zinc/77/04/14/393770414.db2.gz ULZOXDRDJXRGCU-ZIAGYGMSSA-N 1 1 272.392 3.435 20 30 CGEDMO Cc1cc(CNCC(C)(C)[N@@H+]2CCC[C@H](C)C2)ccc1C#N ZINC000443956885 393778560 /nfs/dbraw/zinc/77/85/60/393778560.db2.gz AKSPFTLETLTGPB-HNNXBMFYSA-N 1 1 299.462 3.467 20 30 CGEDMO Cc1cc(CNCC(C)(C)[N@H+]2CCC[C@H](C)C2)ccc1C#N ZINC000443956885 393778562 /nfs/dbraw/zinc/77/85/62/393778562.db2.gz AKSPFTLETLTGPB-HNNXBMFYSA-N 1 1 299.462 3.467 20 30 CGEDMO Cc1cc(C[N@H+](C)[C@@H](CO)CC(C)(C)C)ccc1C#N ZINC000449592750 393916359 /nfs/dbraw/zinc/91/63/59/393916359.db2.gz YYRPWGOMJFHZGR-MRXNPFEDSA-N 1 1 274.408 3.096 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cc2c(cccc2C)[nH]1 ZINC000668054691 542963205 /nfs/dbraw/zinc/96/32/05/542963205.db2.gz CTLLSMAYRPQHNE-UHFFFAOYSA-N 1 1 258.365 3.111 20 30 CGEDMO C=CC[C@@H]1[N@H+](Cc2cnc3n2CCC3)CCCC1(C)C ZINC000668069955 542965324 /nfs/dbraw/zinc/96/53/24/542965324.db2.gz FHIUKJJFFYMBGI-HNNXBMFYSA-N 1 1 273.424 3.396 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2ccc3c(n2)CCC3)C1 ZINC000668493029 543020144 /nfs/dbraw/zinc/02/01/44/543020144.db2.gz IXINXKILEHACPP-CQSZACIVSA-N 1 1 256.393 3.358 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000675496453 543344085 /nfs/dbraw/zinc/34/40/85/543344085.db2.gz XOJHYCOVCILNTI-AWEZNQCLSA-N 1 1 284.403 3.162 20 30 CGEDMO CC[C@H]1CCC[N@@H+](CCOc2ccccc2C#N)CC1 ZINC000079054506 287053635 /nfs/dbraw/zinc/05/36/35/287053635.db2.gz KULZCMBWBOFQJJ-HNNXBMFYSA-N 1 1 272.392 3.449 20 30 CGEDMO C[C@H](c1ccco1)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000069070059 165050860 /nfs/dbraw/zinc/05/08/60/165050860.db2.gz PMSGGDWILZZICK-CYBMUJFWSA-N 1 1 270.332 3.223 20 30 CGEDMO C[C@H]1CCCCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000070409598 165061362 /nfs/dbraw/zinc/06/13/62/165061362.db2.gz RDSLKRXGZSDWRN-AWEZNQCLSA-N 1 1 285.391 3.151 20 30 CGEDMO CC[C@@H]1C[N@H+](Cc2cn3ccccc3c2C#N)CCS1 ZINC000076072063 165110694 /nfs/dbraw/zinc/11/06/94/165110694.db2.gz LXAOIYCMJAVASA-CQSZACIVSA-N 1 1 285.416 3.138 20 30 CGEDMO CC[C@@H]1C[N@@H+](Cc2cn3ccccc3c2C#N)CCS1 ZINC000076072063 165110699 /nfs/dbraw/zinc/11/06/99/165110699.db2.gz LXAOIYCMJAVASA-CQSZACIVSA-N 1 1 285.416 3.138 20 30 CGEDMO CC1(C)CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000087657818 165191718 /nfs/dbraw/zinc/19/17/18/165191718.db2.gz BRSRQOIVWGQQMV-UHFFFAOYSA-N 1 1 285.391 3.009 20 30 CGEDMO CC[N@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1cccs1 ZINC000007613755 170294100 /nfs/dbraw/zinc/29/41/00/170294100.db2.gz FYDTVVUFWUPINB-UHFFFAOYSA-N 1 1 299.399 3.080 20 30 CGEDMO CC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1cccs1 ZINC000007613755 170294101 /nfs/dbraw/zinc/29/41/01/170294101.db2.gz FYDTVVUFWUPINB-UHFFFAOYSA-N 1 1 299.399 3.080 20 30 CGEDMO N#CCC[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000020200040 171063938 /nfs/dbraw/zinc/06/39/38/171063938.db2.gz QVHMMDBRTUAGHL-QGZVFWFLSA-N 1 1 250.345 3.474 20 30 CGEDMO C=CCOc1ccc(CN[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000035258890 172090737 /nfs/dbraw/zinc/09/07/37/172090737.db2.gz XIWQNEPRMRSPOM-MRXNPFEDSA-N 1 1 288.435 3.215 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC=C(c2ccco2)C1 ZINC000285236600 196228436 /nfs/dbraw/zinc/22/84/36/196228436.db2.gz GHUDQOTUMGUBTD-UHFFFAOYSA-N 1 1 294.354 3.449 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCCNc1ccc(C#N)cc1F ZINC000037507395 173241861 /nfs/dbraw/zinc/24/18/61/173241861.db2.gz NHZRFOBCIWDUGD-ZDUSSCGKSA-N 1 1 275.371 3.374 20 30 CGEDMO C[C@@H](NC[C@H](C)[NH+]1CCCCC1)c1cccc(C#N)c1 ZINC000038029130 174019570 /nfs/dbraw/zinc/01/95/70/174019570.db2.gz GEBDYMDZUFTHHS-LSDHHAIUSA-N 1 1 271.408 3.083 20 30 CGEDMO C[C@@H](CN[C@@H](C)c1cccc(C#N)c1)C[NH+]1CCCCC1 ZINC000038042050 174044433 /nfs/dbraw/zinc/04/44/33/174044433.db2.gz FJSPKOVBEPTSLW-HOTGVXAUSA-N 1 1 285.435 3.331 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000679357916 543627782 /nfs/dbraw/zinc/62/77/82/543627782.db2.gz GINUHWPKBGOASC-ZFWWWQNUSA-N 1 1 263.356 3.431 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000679357916 543627784 /nfs/dbraw/zinc/62/77/84/543627784.db2.gz GINUHWPKBGOASC-ZFWWWQNUSA-N 1 1 263.356 3.431 20 30 CGEDMO CC#CCC[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000680884610 543742012 /nfs/dbraw/zinc/74/20/12/543742012.db2.gz KUHQKQKGMXIDNB-DTORHVGOSA-N 1 1 273.220 3.072 20 30 CGEDMO CCC#C[C@H](C)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000680900581 543744963 /nfs/dbraw/zinc/74/49/63/543744963.db2.gz TWGWSTYQIKWRFK-LSDHHAIUSA-N 1 1 276.449 3.229 20 30 CGEDMO COCC#CC[NH+]1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000681099293 543765243 /nfs/dbraw/zinc/76/52/43/543765243.db2.gz WWSQJUYDCAMAAB-UHFFFAOYSA-N 1 1 291.341 3.094 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000131928026 287393156 /nfs/dbraw/zinc/39/31/56/287393156.db2.gz KYZWSUPMBZLZIZ-KDOFPFPSSA-N 1 1 293.370 3.168 20 30 CGEDMO COCC[C@H]1CCCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000347186089 226072663 /nfs/dbraw/zinc/07/26/63/226072663.db2.gz CREMUOOKVZVNSU-CQSZACIVSA-N 1 1 252.402 3.065 20 30 CGEDMO N#C[C@H]1CC[C@H]([NH2+]Cc2c(F)cc(F)c(F)c2F)C1 ZINC000336632833 227224473 /nfs/dbraw/zinc/22/44/73/227224473.db2.gz JMOJUOGXCVUCIG-YUMQZZPRSA-N 1 1 272.245 3.025 20 30 CGEDMO C=CCOCCCNc1[nH+]ccc2cc(F)ccc21 ZINC000664384725 418946486 /nfs/dbraw/zinc/94/64/86/418946486.db2.gz NDXPRBVRMJEDRV-UHFFFAOYSA-N 1 1 260.312 3.379 20 30 CGEDMO C=CCCn1cc(C[N@H+]2CCC[C@](C)(CCC)C2)nn1 ZINC000653561673 419048661 /nfs/dbraw/zinc/04/86/61/419048661.db2.gz OPPRTHSWIBVBMS-INIZCTEOSA-N 1 1 276.428 3.256 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CCC[C@](C)(CCC)C2)nn1 ZINC000653561673 419048666 /nfs/dbraw/zinc/04/86/66/419048666.db2.gz OPPRTHSWIBVBMS-INIZCTEOSA-N 1 1 276.428 3.256 20 30 CGEDMO C=CC[N@H+](CCO[C@H]1CC1(F)F)Cc1cccs1 ZINC000659815790 418997803 /nfs/dbraw/zinc/99/78/03/418997803.db2.gz KLIGNNDZSVEBHN-LBPRGKRZSA-N 1 1 273.348 3.160 20 30 CGEDMO C=CCOc1ccc(C[NH2+]Cc2cc3n(n2)CCCC3)cc1 ZINC000655771719 419093815 /nfs/dbraw/zinc/09/38/15/419093815.db2.gz CROOVVJBASSSAZ-UHFFFAOYSA-N 1 1 297.402 3.074 20 30 CGEDMO C=CCC1(NC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CCCC1 ZINC000665355492 419117005 /nfs/dbraw/zinc/11/70/05/419117005.db2.gz XBCAOPGDVMFSEG-AWEZNQCLSA-N 1 1 293.455 3.047 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C[C@H](C)O)C2CC2)cc1Cl ZINC000656278466 419165565 /nfs/dbraw/zinc/16/55/65/419165565.db2.gz HKKHWAMABWVJNY-LBPRGKRZSA-N 1 1 295.810 3.250 20 30 CGEDMO C=CC[N@H+](Cc1sccc1Cl)[C@@H](C)COC ZINC000661238966 419243574 /nfs/dbraw/zinc/24/35/74/419243574.db2.gz AXAZUEQERZHMPS-JTQLQIEISA-N 1 1 259.802 3.424 20 30 CGEDMO C=CC[N@@H+](Cc1sccc1Cl)[C@@H](C)COC ZINC000661238966 419243575 /nfs/dbraw/zinc/24/35/75/419243575.db2.gz AXAZUEQERZHMPS-JTQLQIEISA-N 1 1 259.802 3.424 20 30 CGEDMO C=CC[N@@H+](Cc1cc(-c2ccccc2)no1)[C@@H](C)COC ZINC000661244599 419244536 /nfs/dbraw/zinc/24/45/36/419244536.db2.gz WICKIPIUCUDAEO-AWEZNQCLSA-N 1 1 286.375 3.365 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)[C@H]1CCO ZINC000661502020 419267798 /nfs/dbraw/zinc/26/77/98/419267798.db2.gz YXTYEELBUPQNEO-PBHICJAKSA-N 1 1 291.822 3.174 20 30 CGEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2c2c(C)cccc2C)C1=O ZINC000661135424 419234088 /nfs/dbraw/zinc/23/40/88/419234088.db2.gz BVPSLJRZAHJQLH-DLBZAZTESA-N 1 1 298.430 3.227 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1ccccc1OCC)C(C)(C)C ZINC000661755586 419295077 /nfs/dbraw/zinc/29/50/77/419295077.db2.gz VENHZXHVGBZIFK-UHFFFAOYSA-N 1 1 290.407 3.310 20 30 CGEDMO C=CC[N@H+](C[C@@H](O)[C@@H](C)c1ccccc1)C(C)(C)C ZINC000661759008 419296275 /nfs/dbraw/zinc/29/62/75/419296275.db2.gz XWUANFONMJSMGR-GOEBONIOSA-N 1 1 261.409 3.438 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000661872366 419309330 /nfs/dbraw/zinc/30/93/30/419309330.db2.gz APLLMMSHRHDBKE-RBUKOAKNSA-N 1 1 283.415 3.319 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000662082067 419333198 /nfs/dbraw/zinc/33/31/98/419333198.db2.gz XIAOLHOZAPWFOK-NNXHMXCWSA-N 1 1 290.451 3.253 20 30 CGEDMO C=C(CC)CN1CC[N@@H+](CC(=C)CC)[C@@H](C)[C@H]1C ZINC000662226451 419366152 /nfs/dbraw/zinc/36/61/52/419366152.db2.gz ZXPZUFCCMAMWLQ-IYBDPMFKSA-N 1 1 250.430 3.313 20 30 CGEDMO C=C(CC)CN1CC[N@H+](CC(=C)CC)[C@H](C)[C@@H]1C ZINC000662226451 419366156 /nfs/dbraw/zinc/36/61/56/419366156.db2.gz ZXPZUFCCMAMWLQ-IYBDPMFKSA-N 1 1 250.430 3.313 20 30 CGEDMO C=C(CC)CN1CC[N@@H+](CC(=C)CC)[C@H](C)[C@@H]1C ZINC000662226451 419366161 /nfs/dbraw/zinc/36/61/61/419366161.db2.gz ZXPZUFCCMAMWLQ-IYBDPMFKSA-N 1 1 250.430 3.313 20 30 CGEDMO CC[N@H+](C[C@@H](C)C#N)C[C@@H](C)Cc1ccc(OC)c(F)c1 ZINC000186640218 260112463 /nfs/dbraw/zinc/11/24/63/260112463.db2.gz RGDOQFVUZFBWCJ-KBPBESRZSA-N 1 1 292.398 3.494 20 30 CGEDMO CCOC[C@H]1CCCC[N@H+]1CCCC(C)(C)C#N ZINC000313470453 260297121 /nfs/dbraw/zinc/29/71/21/260297121.db2.gz OHPCTRQPOXWUPL-CQSZACIVSA-N 1 1 252.402 3.207 20 30 CGEDMO C=C(C)[C@@H]([NH2+]CC(=O)NCCCC)c1ccc(F)c(F)c1 ZINC000187758146 260658501 /nfs/dbraw/zinc/65/85/01/260658501.db2.gz NWQMOSJRXJTPFJ-MRXNPFEDSA-N 1 1 296.361 3.088 20 30 CGEDMO N#CCCCC[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000155025614 261097313 /nfs/dbraw/zinc/09/73/13/261097313.db2.gz SXQXTOVOYYQPJA-MRXNPFEDSA-N 1 1 257.381 3.257 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(F)cc1C(=O)OC ZINC000103554739 261285022 /nfs/dbraw/zinc/28/50/22/261285022.db2.gz XOIKGHHGDGPRLJ-UHFFFAOYSA-N 1 1 265.328 3.010 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1cn(C)nc1C1CCCCC1 ZINC000184082667 262007163 /nfs/dbraw/zinc/00/71/63/262007163.db2.gz BUNQZYHKUQKGOK-OAHLLOKOSA-N 1 1 274.412 3.250 20 30 CGEDMO C#CC[N@@H+](CC)Cc1nc2ccc(Br)cc2o1 ZINC000491813949 262088656 /nfs/dbraw/zinc/08/86/56/262088656.db2.gz RAXFCEFFSHGDBN-UHFFFAOYSA-N 1 1 293.164 3.045 20 30 CGEDMO C#CC[N@H+](CC)Cc1nc2ccc(Br)cc2o1 ZINC000491813949 262088658 /nfs/dbraw/zinc/08/86/58/262088658.db2.gz RAXFCEFFSHGDBN-UHFFFAOYSA-N 1 1 293.164 3.045 20 30 CGEDMO N#CCC[C@H](C#N)C[NH+]1CCC(c2ccsc2)CC1 ZINC000186930469 262116824 /nfs/dbraw/zinc/11/68/24/262116824.db2.gz VJHNTOYEJOHXTQ-CYBMUJFWSA-N 1 1 273.405 3.371 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)Cc1cc(Cl)ccc1OC ZINC000121377223 262351715 /nfs/dbraw/zinc/35/17/15/262351715.db2.gz OVPKTTRCWZTPSR-AWEZNQCLSA-N 1 1 283.799 3.108 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000338197382 262513810 /nfs/dbraw/zinc/51/38/10/262513810.db2.gz SKIPKILHBAPKNZ-QXSJWSMHSA-N 1 1 251.414 3.214 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)[C@H](C)c1nnc(CC)o1 ZINC000411202959 262684388 /nfs/dbraw/zinc/68/43/88/262684388.db2.gz WLXYVKXIZNHPRY-CQSZACIVSA-N 1 1 285.391 3.424 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)[C@H](C)c1nnc(CC)o1 ZINC000411202959 262684389 /nfs/dbraw/zinc/68/43/89/262684389.db2.gz WLXYVKXIZNHPRY-CQSZACIVSA-N 1 1 285.391 3.424 20 30 CGEDMO N#CCCCC[N@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000270411349 262987989 /nfs/dbraw/zinc/98/79/89/262987989.db2.gz DVUIZCYPMZSDMV-HNNXBMFYSA-N 1 1 282.391 3.195 20 30 CGEDMO N#CCSCCC[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000272477236 263004938 /nfs/dbraw/zinc/00/49/38/263004938.db2.gz AQCYKZHVQLMIIN-HNNXBMFYSA-N 1 1 290.432 3.034 20 30 CGEDMO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCC(C)(C)C#N ZINC000274791571 263030381 /nfs/dbraw/zinc/03/03/81/263030381.db2.gz CAZPCNRTWFJFKX-WMZOPIPTSA-N 1 1 299.462 3.426 20 30 CGEDMO C[N@H+](CCCC#N)[C@]1(c2ccccc2)CCCCC1=O ZINC000276285629 263035616 /nfs/dbraw/zinc/03/56/16/263035616.db2.gz GECZALYKBYULJB-KRWDZBQOSA-N 1 1 270.376 3.261 20 30 CGEDMO C[N@@H+](CCCC#N)[C@]1(c2ccccc2)CCCCC1=O ZINC000276285629 263035617 /nfs/dbraw/zinc/03/56/17/263035617.db2.gz GECZALYKBYULJB-KRWDZBQOSA-N 1 1 270.376 3.261 20 30 CGEDMO C[C@@H](CCC#N)[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000276332937 263036258 /nfs/dbraw/zinc/03/62/58/263036258.db2.gz RICMVMQWNDNZDB-ZDUSSCGKSA-N 1 1 280.375 3.344 20 30 CGEDMO C[N@H+](CCCCC(C)(C)C#N)Cc1nccn1C(F)F ZINC000278104546 263045403 /nfs/dbraw/zinc/04/54/03/263045403.db2.gz KOGXCUWEWJECLM-UHFFFAOYSA-N 1 1 284.354 3.430 20 30 CGEDMO C[N@@H+](CCCCC(C)(C)C#N)Cc1nccn1C(F)F ZINC000278104546 263045404 /nfs/dbraw/zinc/04/54/04/263045404.db2.gz KOGXCUWEWJECLM-UHFFFAOYSA-N 1 1 284.354 3.430 20 30 CGEDMO N#C[C@H]1CCC[C@H]([NH2+]Cc2c(F)cc(F)c(F)c2F)C1 ZINC000281267004 263067784 /nfs/dbraw/zinc/06/77/84/263067784.db2.gz YIXWBILVAZQKLK-IUCAKERBSA-N 1 1 286.272 3.415 20 30 CGEDMO CC(C)COC[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1ccco1 ZINC000282071542 263074066 /nfs/dbraw/zinc/07/40/66/263074066.db2.gz WVUFVRFPOFBGDY-ILXRZTDVSA-N 1 1 276.380 3.275 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCOc2cc(O)ccc2C1 ZINC000285418448 263092740 /nfs/dbraw/zinc/09/27/40/263092740.db2.gz GMQHUSFUPFBUQK-UHFFFAOYSA-N 1 1 288.391 3.307 20 30 CGEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]3CCCC#N)nc2c1 ZINC000289306211 263108781 /nfs/dbraw/zinc/10/87/81/263108781.db2.gz ISVIWFFNCPWQAP-HNNXBMFYSA-N 1 1 268.364 3.312 20 30 CGEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@H+]3CCCC#N)nc2c1 ZINC000289306211 263108782 /nfs/dbraw/zinc/10/87/82/263108782.db2.gz ISVIWFFNCPWQAP-HNNXBMFYSA-N 1 1 268.364 3.312 20 30 CGEDMO C[NH+](C)Cc1cc(NC(=O)CCCC#N)ccc1Cl ZINC000291422961 263122381 /nfs/dbraw/zinc/12/23/81/263122381.db2.gz IXNUJXRGEIWZML-UHFFFAOYSA-N 1 1 279.771 3.034 20 30 CGEDMO C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)C[C@@H](c2ccc(F)cc2)O1 ZINC000292911209 263136413 /nfs/dbraw/zinc/13/64/13/263136413.db2.gz XCJLZSCGFPHQGV-GFOFROLCSA-N 1 1 288.366 3.280 20 30 CGEDMO C[C@@H]1C[N@H+]([C@@H]2CC[C@H](C#N)C2)C[C@@H](c2ccc(F)cc2)O1 ZINC000292911209 263136414 /nfs/dbraw/zinc/13/64/14/263136414.db2.gz XCJLZSCGFPHQGV-GFOFROLCSA-N 1 1 288.366 3.280 20 30 CGEDMO N#CCCOCC[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000293553280 263143148 /nfs/dbraw/zinc/14/31/48/263143148.db2.gz RHVRMRICDNLALM-HNNXBMFYSA-N 1 1 278.783 3.407 20 30 CGEDMO CCC[N@@H+](CCOCCC#N)[C@@H](C)c1ccccc1OC ZINC000293608242 263144484 /nfs/dbraw/zinc/14/44/84/263144484.db2.gz VLLRMHBDRHSDOS-HNNXBMFYSA-N 1 1 290.407 3.398 20 30 CGEDMO C[N@H+](Cc1ccc(F)cc1F)[C@@H]1CC[C@@H](C#N)C1 ZINC000293658181 263146292 /nfs/dbraw/zinc/14/62/92/263146292.db2.gz YLOWHCWQBDALQF-ZWNOBZJWSA-N 1 1 250.292 3.089 20 30 CGEDMO C[N@@H+](Cc1ccc(F)cc1F)[C@@H]1CC[C@@H](C#N)C1 ZINC000293658181 263146293 /nfs/dbraw/zinc/14/62/93/263146293.db2.gz YLOWHCWQBDALQF-ZWNOBZJWSA-N 1 1 250.292 3.089 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](Nc3ccccc3)C2)C1 ZINC000293836466 263150541 /nfs/dbraw/zinc/15/05/41/263150541.db2.gz QESQVJMQQYXFJP-DJIMGWMZSA-N 1 1 269.392 3.255 20 30 CGEDMO N#C[C@H]1CC[C@H]([N@@H+]2CCc3cc(Cl)ccc3C2)C1 ZINC000294387037 263160708 /nfs/dbraw/zinc/16/07/08/263160708.db2.gz BUULEKPLLDCAPB-NHYWBVRUSA-N 1 1 260.768 3.390 20 30 CGEDMO C[C@H]([NH2+]CCC#N)c1cccc(OCc2ccccn2)c1 ZINC000299731638 263253908 /nfs/dbraw/zinc/25/39/08/263253908.db2.gz XJIMPXHRIGDOIL-AWEZNQCLSA-N 1 1 281.359 3.225 20 30 CGEDMO CN(CCC(C)(C)C#N)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000119700054 263277000 /nfs/dbraw/zinc/27/70/00/263277000.db2.gz FLVBNIZMCCBJPZ-SFHVURJKSA-N 1 1 299.462 3.380 20 30 CGEDMO CN(CCC(C)(C)C#N)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000119700054 263277001 /nfs/dbraw/zinc/27/70/01/263277001.db2.gz FLVBNIZMCCBJPZ-SFHVURJKSA-N 1 1 299.462 3.380 20 30 CGEDMO COCC1(C#N)CC[NH+]([C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000341975018 263368631 /nfs/dbraw/zinc/36/86/31/263368631.db2.gz IUWAVDJBEOBSGV-LBPRGKRZSA-N 1 1 294.345 3.278 20 30 CGEDMO C=C1CC[NH+]([C@@H](C)C(=O)N(CC)Cc2ccccc2)CC1 ZINC000342176929 263392456 /nfs/dbraw/zinc/39/24/56/263392456.db2.gz LDCXQQKCJZECKA-INIZCTEOSA-N 1 1 286.419 3.076 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000342727626 263481006 /nfs/dbraw/zinc/48/10/06/263481006.db2.gz VPNVXPIOTHNMGW-LSDHHAIUSA-N 1 1 274.408 3.069 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000343140418 263591790 /nfs/dbraw/zinc/59/17/90/263591790.db2.gz BUMIVYMDWUAUHI-HNNXBMFYSA-N 1 1 294.826 3.367 20 30 CGEDMO Cc1oc(C#N)cc1C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000331225639 264149464 /nfs/dbraw/zinc/14/94/64/264149464.db2.gz MYCZOLQSPAPGLD-UHFFFAOYSA-N 1 1 289.379 3.029 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000129181170 264319156 /nfs/dbraw/zinc/31/91/56/264319156.db2.gz RSLCNXXWRZHDAP-HZPDHXFCSA-N 1 1 277.433 3.104 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000075935712 264334397 /nfs/dbraw/zinc/33/43/97/264334397.db2.gz SOXDDUXJMXRNLG-HNNXBMFYSA-N 1 1 287.407 3.015 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1c(C)cccc1Cl ZINC000130440981 264351885 /nfs/dbraw/zinc/35/18/85/264351885.db2.gz XKVCABINWOBYFW-UHFFFAOYSA-N 1 1 280.799 3.485 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1c(C)cccc1Cl ZINC000130440981 264351887 /nfs/dbraw/zinc/35/18/87/264351887.db2.gz XKVCABINWOBYFW-UHFFFAOYSA-N 1 1 280.799 3.485 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000180138069 264392430 /nfs/dbraw/zinc/39/24/30/264392430.db2.gz JAJRBDXDEUWBFQ-ROUUACIJSA-N 1 1 298.430 3.316 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000293533023 264967988 /nfs/dbraw/zinc/96/79/88/264967988.db2.gz PPRDRXQSXAGGGF-MRXNPFEDSA-N 1 1 291.391 3.043 20 30 CGEDMO C[C@H]1CCC[C@H]([N@@H+](C)CCOc2ccc(C#N)cc2)C1 ZINC000042373847 270033023 /nfs/dbraw/zinc/03/30/23/270033023.db2.gz LJSVWJKGDMXQLQ-HOCLYGCPSA-N 1 1 272.392 3.448 20 30 CGEDMO C=CCCC1(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)CC1 ZINC000356223374 266076611 /nfs/dbraw/zinc/07/66/11/266076611.db2.gz NYOGAIDXKMLPKZ-CVEARBPZSA-N 1 1 290.451 3.207 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1cscc1C(F)(F)F ZINC000356299285 266091290 /nfs/dbraw/zinc/09/12/90/266091290.db2.gz HKEAGBLPYFEMOF-UHFFFAOYSA-N 1 1 262.300 3.406 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](n3cc(C)cn3)C2)cc1 ZINC000356505830 266127298 /nfs/dbraw/zinc/12/72/98/266127298.db2.gz NOLYFRONBIDTOC-QGZVFWFLSA-N 1 1 297.402 3.203 20 30 CGEDMO C=CCN(C(=O)NCCCC[N@@H+]1CCCC[C@H]1C)C1CC1 ZINC000357564061 266327010 /nfs/dbraw/zinc/32/70/10/266327010.db2.gz ABIAKNBAYQZWQI-OAHLLOKOSA-N 1 1 293.455 3.001 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H]1C(=O)N(CC)CC ZINC000362934942 267063829 /nfs/dbraw/zinc/06/38/29/267063829.db2.gz NGWAIRQBDKEITB-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO N#Cc1cc(F)c(NC[C@H]2CC[N@H+]2C2CCCC2)c(F)c1 ZINC000528210973 270157972 /nfs/dbraw/zinc/15/79/72/270157972.db2.gz RGXIWZOEMJOOIY-CYBMUJFWSA-N 1 1 291.345 3.265 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H]2c2cn(C)nc2C)cc1 ZINC000368566799 267186655 /nfs/dbraw/zinc/18/66/55/267186655.db2.gz JXMSQNBYLQQGJB-SFHVURJKSA-N 1 1 279.387 3.047 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)cc1 ZINC000369402702 267239924 /nfs/dbraw/zinc/23/99/24/267239924.db2.gz HQCILJNNYONOIE-INIZCTEOSA-N 1 1 288.391 3.064 20 30 CGEDMO C=CCOc1cccc(C[N@H+](C)CCCCOC)c1 ZINC000418141909 267363173 /nfs/dbraw/zinc/36/31/73/267363173.db2.gz XIDFMRVXYYJNIN-UHFFFAOYSA-N 1 1 263.381 3.110 20 30 CGEDMO N#CC1(C[NH2+]C/C=C\c2ccc(F)cc2F)CCC1 ZINC000418145414 267366145 /nfs/dbraw/zinc/36/61/45/267366145.db2.gz XYMYVOHYAVEDNJ-IWQZZHSRSA-N 1 1 262.303 3.261 20 30 CGEDMO C#CCC[N@@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000371349074 267393193 /nfs/dbraw/zinc/39/31/93/267393193.db2.gz FNQKMLLCEDEPEZ-UHFFFAOYSA-N 1 1 285.366 3.104 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000123219117 268016413 /nfs/dbraw/zinc/01/64/13/268016413.db2.gz GGXZJASNOABEDG-INIZCTEOSA-N 1 1 263.356 3.117 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](c3nccs3)C2)c1 ZINC000195346786 268247108 /nfs/dbraw/zinc/24/71/08/268247108.db2.gz UQLPIFFLXXGFGZ-OAHLLOKOSA-N 1 1 283.400 3.394 20 30 CGEDMO CC[C@H](C)[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000532967384 270220505 /nfs/dbraw/zinc/22/05/05/270220505.db2.gz AVJMGZRXABADCW-WMLDXEAASA-N 1 1 299.418 3.397 20 30 CGEDMO CCC[N@@H+]1CCC[C@H]1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000353974103 276011942 /nfs/dbraw/zinc/01/19/42/276011942.db2.gz RAJXWNMEIWOMAK-YOEHRIQHSA-N 1 1 271.408 3.083 20 30 CGEDMO CCC[N@H+]1CCC[C@H]1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000353974103 276011943 /nfs/dbraw/zinc/01/19/43/276011943.db2.gz RAJXWNMEIWOMAK-YOEHRIQHSA-N 1 1 271.408 3.083 20 30 CGEDMO C[N@H+]1CCC[C@H]2CN(c3c(Cl)cccc3C#N)CC[C@@H]21 ZINC000133710264 277084430 /nfs/dbraw/zinc/08/44/30/277084430.db2.gz BFBRFNSEBRCQRV-ZFWWWQNUSA-N 1 1 289.810 3.132 20 30 CGEDMO C[C@H](NCC[N@H+]1[C@H](C)CCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000344068590 278259359 /nfs/dbraw/zinc/25/93/59/278259359.db2.gz HAQFLBRAAYFFDE-XHSDSOJGSA-N 1 1 285.435 3.472 20 30 CGEDMO C[C@H](NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000344068590 278259360 /nfs/dbraw/zinc/25/93/60/278259360.db2.gz HAQFLBRAAYFFDE-XHSDSOJGSA-N 1 1 285.435 3.472 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC2(C1)CCOCC2 ZINC000275625575 278309609 /nfs/dbraw/zinc/30/96/09/278309609.db2.gz MWSBWBSZXDGNGK-CQSZACIVSA-N 1 1 270.376 3.122 20 30 CGEDMO CC[C@@H](NC[C@H](C)C[NH+]1CCCC1)c1ccc(C#N)cc1 ZINC000278339070 280189566 /nfs/dbraw/zinc/18/95/66/280189566.db2.gz XFGPHKNCAQSXDB-MAUKXSAKSA-N 1 1 285.435 3.331 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000334608700 290245865 /nfs/dbraw/zinc/24/58/65/290245865.db2.gz ZUQRIYQQRZFGST-RDTXWAMCSA-N 1 1 284.403 3.368 20 30 CGEDMO C[C@@H](c1ccccn1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000563405371 328062954 /nfs/dbraw/zinc/06/29/54/328062954.db2.gz ZCSPJWIFKTXDFD-HNNXBMFYSA-N 1 1 292.386 3.095 20 30 CGEDMO CCc1nc(C[N@H+](C)CCCC(C)(C)C#N)cs1 ZINC000310558955 328079985 /nfs/dbraw/zinc/07/99/85/328079985.db2.gz KYUDDEAZQCLTHU-UHFFFAOYSA-N 1 1 265.426 3.467 20 30 CGEDMO CCc1nc(C[N@@H+](C)CCCC(C)(C)C#N)cs1 ZINC000310558955 328079986 /nfs/dbraw/zinc/07/99/86/328079986.db2.gz KYUDDEAZQCLTHU-UHFFFAOYSA-N 1 1 265.426 3.467 20 30 CGEDMO C[C@H](C#N)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000274092443 328208116 /nfs/dbraw/zinc/20/81/16/328208116.db2.gz QEYLIFCGHCGYHO-OAHLLOKOSA-N 1 1 271.408 3.268 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000274092443 328208118 /nfs/dbraw/zinc/20/81/18/328208118.db2.gz QEYLIFCGHCGYHO-OAHLLOKOSA-N 1 1 271.408 3.268 20 30 CGEDMO CC[N@@H+](Cc1c[nH]nc1-c1ccsc1)C[C@@H](C)C#N ZINC000437587577 328208149 /nfs/dbraw/zinc/20/81/49/328208149.db2.gz GVMUSQXXIAFEER-NSHDSACASA-N 1 1 274.393 3.120 20 30 CGEDMO CC[N@H+](Cc1c[nH]nc1-c1ccsc1)C[C@@H](C)C#N ZINC000437587577 328208150 /nfs/dbraw/zinc/20/81/50/328208150.db2.gz GVMUSQXXIAFEER-NSHDSACASA-N 1 1 274.393 3.120 20 30 CGEDMO C=CCCCC(=O)N1CCC(C[N@H+](C)CCCC)CC1 ZINC000175704053 329167925 /nfs/dbraw/zinc/16/79/25/329167925.db2.gz VVLYSPYIFJUSDT-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO COc1ccc(CCC[N@@H+](C)[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000278510971 328225949 /nfs/dbraw/zinc/22/59/49/328225949.db2.gz BHXSQPNROBKLGW-HZPDHXFCSA-N 1 1 272.392 3.252 20 30 CGEDMO C[N@H+](CCC#N)CCn1ccc2cc(Cl)ccc21 ZINC000289914521 328256749 /nfs/dbraw/zinc/25/67/49/328256749.db2.gz OCHMVCBFLMXPKT-UHFFFAOYSA-N 1 1 261.756 3.140 20 30 CGEDMO C[N@@H+](CCC#N)CCn1ccc2cc(Cl)ccc21 ZINC000289914521 328256751 /nfs/dbraw/zinc/25/67/51/328256751.db2.gz OCHMVCBFLMXPKT-UHFFFAOYSA-N 1 1 261.756 3.140 20 30 CGEDMO C[N@@H+](CCOCCC#N)Cc1cccc2ccccc21 ZINC000292947631 328274142 /nfs/dbraw/zinc/27/41/42/328274142.db2.gz BJBUHDDWSZHPQN-UHFFFAOYSA-N 1 1 268.360 3.202 20 30 CGEDMO C[NH+](C)Cc1ccc(NC(=O)CCCC#N)cc1Cl ZINC000293161112 328274574 /nfs/dbraw/zinc/27/45/74/328274574.db2.gz GLSAAFJVHMMASL-UHFFFAOYSA-N 1 1 279.771 3.034 20 30 CGEDMO C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000565867726 322094343 /nfs/dbraw/zinc/09/43/43/322094343.db2.gz YHVCLCYKMCGAQM-LPHOPBHVSA-N 1 1 297.446 3.257 20 30 CGEDMO CN1CCC[C@@H](C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000565867726 322094346 /nfs/dbraw/zinc/09/43/46/322094346.db2.gz YHVCLCYKMCGAQM-LPHOPBHVSA-N 1 1 297.446 3.257 20 30 CGEDMO C[C@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000570695405 322280036 /nfs/dbraw/zinc/28/00/36/322280036.db2.gz UQANPJYVGHSHMD-GWCFXTLKSA-N 1 1 283.297 3.116 20 30 CGEDMO C[C@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000570695405 322280038 /nfs/dbraw/zinc/28/00/38/322280038.db2.gz UQANPJYVGHSHMD-GWCFXTLKSA-N 1 1 283.297 3.116 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)cc1F ZINC000571878421 322310359 /nfs/dbraw/zinc/31/03/59/322310359.db2.gz XAQPYFLJPYUGST-KRWDZBQOSA-N 1 1 296.345 3.351 20 30 CGEDMO CCC[N@@H+](CC)C[C@H](C)Nc1cc(C#N)c2ccccc2n1 ZINC000572775372 322354198 /nfs/dbraw/zinc/35/41/98/322354198.db2.gz DSUKTOGKKILALB-AWEZNQCLSA-N 1 1 296.418 3.061 20 30 CGEDMO C=CCC[C@@H](O)C[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000124779493 328460581 /nfs/dbraw/zinc/46/05/81/328460581.db2.gz LYFHVPJAPOUZGS-CABCVRRESA-N 1 1 288.416 3.149 20 30 CGEDMO Cc1ncc(C[N@H+](C)Cc2ccc(CC#N)cc2)s1 ZINC000342699855 327028018 /nfs/dbraw/zinc/02/80/18/327028018.db2.gz WBYDEMDLFWLORU-UHFFFAOYSA-N 1 1 271.389 3.150 20 30 CGEDMO N#CC1(CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000569604850 327209443 /nfs/dbraw/zinc/20/94/43/327209443.db2.gz BLTHSUWCIYQUQH-KRWDZBQOSA-N 1 1 295.430 3.077 20 30 CGEDMO Cc1ccccc1OCCC[N@@H+](C)CCCCC#N ZINC000102397660 327226852 /nfs/dbraw/zinc/22/68/52/327226852.db2.gz BPNYNRKOIIRLTI-UHFFFAOYSA-N 1 1 260.381 3.390 20 30 CGEDMO C=CCCCC[N@@H+]1CCOC[C@@H]1CC(=O)c1ccccc1 ZINC000560216717 327290802 /nfs/dbraw/zinc/29/08/02/327290802.db2.gz LSHITTZQDRWOMM-KRWDZBQOSA-N 1 1 287.403 3.317 20 30 CGEDMO C=CCCCC[N@H+]1CCOC[C@@H]1CC(=O)c1ccccc1 ZINC000560216717 327290804 /nfs/dbraw/zinc/29/08/04/327290804.db2.gz LSHITTZQDRWOMM-KRWDZBQOSA-N 1 1 287.403 3.317 20 30 CGEDMO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cc2n(n1)CCC2 ZINC000583428015 327359649 /nfs/dbraw/zinc/35/96/49/327359649.db2.gz MLJHAEGVYZSFSC-CYBMUJFWSA-N 1 1 292.386 3.041 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@H+]2CC[C@H](C3CC3)C2)cc1 ZINC000378351192 329047123 /nfs/dbraw/zinc/04/71/23/329047123.db2.gz WESMSLOYWASAQM-KRWDZBQOSA-N 1 1 283.419 3.268 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000378637224 329057331 /nfs/dbraw/zinc/05/73/31/329057331.db2.gz ZEOYTIQRYZKCKC-MRXNPFEDSA-N 1 1 271.408 3.276 20 30 CGEDMO C=C(Br)C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000360059427 329071113 /nfs/dbraw/zinc/07/11/13/329071113.db2.gz OANVDDAAZLLMBI-UHFFFAOYSA-N 1 1 295.224 3.245 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)Cc1cccc(OC)n1 ZINC000171859119 329080423 /nfs/dbraw/zinc/08/04/23/329080423.db2.gz VUMRQHMQLIVSNC-UHFFFAOYSA-N 1 1 268.360 3.278 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cccc(OC)n1 ZINC000171859119 329080425 /nfs/dbraw/zinc/08/04/25/329080425.db2.gz VUMRQHMQLIVSNC-UHFFFAOYSA-N 1 1 268.360 3.278 20 30 CGEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CCCC#N)C1(CC)CC ZINC000177405791 329184138 /nfs/dbraw/zinc/18/41/38/329184138.db2.gz BYQZMIACNQVEIT-ZIAGYGMSSA-N 1 1 252.402 3.206 20 30 CGEDMO C=CCCCCC[N@@H+](C)Cc1nnc(C2CCC2)n1C ZINC000181369784 329232193 /nfs/dbraw/zinc/23/21/93/329232193.db2.gz ZTKOFEOMISYDLJ-UHFFFAOYSA-N 1 1 276.428 3.261 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1nnc(C2CCC2)n1C ZINC000181369784 329232195 /nfs/dbraw/zinc/23/21/95/329232195.db2.gz ZTKOFEOMISYDLJ-UHFFFAOYSA-N 1 1 276.428 3.261 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000184095119 329256266 /nfs/dbraw/zinc/25/62/66/329256266.db2.gz YQMQHLUOFJKXKQ-HNNXBMFYSA-N 1 1 271.364 3.151 20 30 CGEDMO CC(C)OC(=O)C[C@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000184460098 329260407 /nfs/dbraw/zinc/26/04/07/329260407.db2.gz LXBFPZXQXHRPGN-OAHLLOKOSA-N 1 1 294.439 3.370 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000582939730 329291232 /nfs/dbraw/zinc/29/12/32/329291232.db2.gz RPPXFPZTVRJMHT-WBMJQRKESA-N 1 1 271.339 3.236 20 30 CGEDMO C[C@H](C[NH+]1C[C@@H](C)C[C@H](C)C1)N[C@@H]1CCC[C@H](C#N)C1 ZINC000185796800 329331945 /nfs/dbraw/zinc/33/19/45/329331945.db2.gz QHLOVRYTKBWRIU-ZOFXXKQRSA-N 1 1 277.456 3.025 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)C[C@H](O)CC1CCCC1 ZINC000190628952 329399933 /nfs/dbraw/zinc/39/99/33/329399933.db2.gz UFHVJXIYYUDUJU-MRXNPFEDSA-N 1 1 266.429 3.189 20 30 CGEDMO C=CCOc1ccc(CNc2[nH+]c3ccccc3n2C)cc1 ZINC000583744804 329471996 /nfs/dbraw/zinc/47/19/96/329471996.db2.gz ZJUOUZNRFMECHT-UHFFFAOYSA-N 1 1 293.370 3.172 20 30 CGEDMO C=CCCCC[N@H+]1CCc2nc(C(C)C)ncc2C1 ZINC000527619135 330266153 /nfs/dbraw/zinc/26/61/53/330266153.db2.gz BQSZZIVBGOSXAU-UHFFFAOYSA-N 1 1 259.397 3.314 20 30 CGEDMO CN(Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424190718 330323077 /nfs/dbraw/zinc/32/30/77/330323077.db2.gz GGKSQCKCLVQRHR-ZWKOTPCHSA-N 1 1 299.462 3.426 20 30 CGEDMO CC#CCCNC(=O)c1ccc(C[N@H+](CC)CCC)cc1 ZINC000543605005 330374683 /nfs/dbraw/zinc/37/46/83/330374683.db2.gz HVARPRHMJUQDET-UHFFFAOYSA-N 1 1 286.419 3.062 20 30 CGEDMO CC(C)CO[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000120001101 330384399 /nfs/dbraw/zinc/38/43/99/330384399.db2.gz JMWMBDYASZVDRS-KRWDZBQOSA-N 1 1 291.822 3.438 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H](O)[C@@H](C)c1ccccc1 ZINC000450875585 331004159 /nfs/dbraw/zinc/00/41/59/331004159.db2.gz FMFNAADEFNWILJ-UAGQMJEPSA-N 1 1 259.393 3.192 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CCC[N@H+](C(C)C)C2)CCCC1 ZINC000450932688 331007920 /nfs/dbraw/zinc/00/79/20/331007920.db2.gz SGSGSTNUTXXMKV-OAHLLOKOSA-N 1 1 278.440 3.112 20 30 CGEDMO CCOc1cc(C[NH2+]CC(C)(C)C#N)cc(Cl)c1O ZINC000459478952 331283963 /nfs/dbraw/zinc/28/39/63/331283963.db2.gz HRGZNECTFNCWRN-UHFFFAOYSA-N 1 1 282.771 3.084 20 30 CGEDMO C=CCOCCC[N@@H+]1Cc2sccc2CC1(C)C ZINC000459575018 331288785 /nfs/dbraw/zinc/28/87/85/331288785.db2.gz DYAKMSSIBMQGAS-UHFFFAOYSA-N 1 1 265.422 3.478 20 30 CGEDMO C[N@H+](Cc1ccccc1)C1CN(CC(C)(C)CCC#N)C1 ZINC000459589633 331289654 /nfs/dbraw/zinc/28/96/54/331289654.db2.gz ICVMUFJYDOZQOX-UHFFFAOYSA-N 1 1 285.435 3.133 20 30 CGEDMO C[N@@H+](Cc1ccccc1)C1CN(CC(C)(C)CCC#N)C1 ZINC000459589633 331289655 /nfs/dbraw/zinc/28/96/55/331289655.db2.gz ICVMUFJYDOZQOX-UHFFFAOYSA-N 1 1 285.435 3.133 20 30 CGEDMO CC(C)C[N@@H+](CCCC(C)(C)C#N)Cc1cnn(C)c1 ZINC000459599911 331290188 /nfs/dbraw/zinc/29/01/88/331290188.db2.gz YSWUTUXXRAFSAV-UHFFFAOYSA-N 1 1 276.428 3.208 20 30 CGEDMO C=CC[N@H+](CCc1ccc(C)cc1)C[C@H]1CCCO1 ZINC000464779107 331367662 /nfs/dbraw/zinc/36/76/62/331367662.db2.gz QVXRWADYPOQSIA-QGZVFWFLSA-N 1 1 259.393 3.205 20 30 CGEDMO C=C[C@@H]1CCCCN1c1cc[nH+]c(N2CCCCC2)n1 ZINC000486501581 331938755 /nfs/dbraw/zinc/93/87/55/331938755.db2.gz SXRFVGNKTBSGEH-CQSZACIVSA-N 1 1 272.396 3.012 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000489035400 332038802 /nfs/dbraw/zinc/03/88/02/332038802.db2.gz DBJFUVNETMIKMM-CHWSQXEVSA-N 1 1 279.346 3.368 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2)o1 ZINC000489430455 332051851 /nfs/dbraw/zinc/05/18/51/332051851.db2.gz OZPIFIOPDWGJNM-AWEZNQCLSA-N 1 1 269.348 3.277 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccccc2)o1 ZINC000489430455 332051852 /nfs/dbraw/zinc/05/18/52/332051852.db2.gz OZPIFIOPDWGJNM-AWEZNQCLSA-N 1 1 269.348 3.277 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(C(=O)OC)cc1 ZINC000489438502 332052176 /nfs/dbraw/zinc/05/21/76/332052176.db2.gz MDQJGKZLDKIGQI-OAHLLOKOSA-N 1 1 259.349 3.014 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N(CC)C1CCCCC1 ZINC000489451931 332053515 /nfs/dbraw/zinc/05/35/15/332053515.db2.gz VCIUPRWILVZAKS-OAHLLOKOSA-N 1 1 278.440 3.208 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)C[C@@H]2C[C@@H]2c2ccccc2)n1 ZINC000491514613 332226812 /nfs/dbraw/zinc/22/68/12/332226812.db2.gz JKCOGVHPTUIOSL-PKOBYXMFSA-N 1 1 293.414 3.142 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)C/C=C\c2ccccc2)n1 ZINC000491537672 332232829 /nfs/dbraw/zinc/23/28/29/332232829.db2.gz SGVGSHBCPMITCN-FLIBITNWSA-N 1 1 279.387 3.052 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)C/C=C\c2ccccc2)n1 ZINC000491537672 332232830 /nfs/dbraw/zinc/23/28/30/332232830.db2.gz SGVGSHBCPMITCN-FLIBITNWSA-N 1 1 279.387 3.052 20 30 CGEDMO CO[C@@]1(C)C[C@H]([N@@H+](C)CCCC(C)(C)C#N)C1(C)C ZINC000174882535 333010000 /nfs/dbraw/zinc/01/00/00/333010000.db2.gz IDEFGQKMSXPBCW-BBRMVZONSA-N 1 1 266.429 3.452 20 30 CGEDMO CC(C)C[C@@H](CO)[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000185348392 333139079 /nfs/dbraw/zinc/13/90/79/333139079.db2.gz DCFFCRMFXFZZDB-INIZCTEOSA-N 1 1 288.435 3.327 20 30 CGEDMO C=CCNC(=O)[C@H](C)[N@H+](CC)C[C@@H](CC)c1ccccc1 ZINC000186623220 333163733 /nfs/dbraw/zinc/16/37/33/333163733.db2.gz XBNUKKOZEINMTB-JKSUJKDBSA-N 1 1 288.435 3.193 20 30 CGEDMO C=CC[N@H+](CC[C@@H]1CCCO1)Cc1ccccc1F ZINC000188862791 333174861 /nfs/dbraw/zinc/17/48/61/333174861.db2.gz FLVHIDJSUHLMGN-HNNXBMFYSA-N 1 1 263.356 3.383 20 30 CGEDMO C=CC[N@H+](CC[C@@H]1CCCO1)Cc1cccc([N+](=O)[O-])c1 ZINC000188916167 333176055 /nfs/dbraw/zinc/17/60/55/333176055.db2.gz KAAMVZYUIDAEPD-INIZCTEOSA-N 1 1 290.363 3.152 20 30 CGEDMO COCC[N@@H+](CC#Cc1ccccc1)Cc1ccccc1 ZINC000191905270 333227225 /nfs/dbraw/zinc/22/72/25/333227225.db2.gz HRQDMYUBHUUIKV-UHFFFAOYSA-N 1 1 279.383 3.187 20 30 CGEDMO CS[C@H]1CCCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000192120759 333229951 /nfs/dbraw/zinc/22/99/51/333229951.db2.gz SCVMHAXFDIEISL-INIZCTEOSA-N 1 1 259.418 3.256 20 30 CGEDMO C=CCSCCNc1cc[nH+]cc1Br ZINC000229534685 333305900 /nfs/dbraw/zinc/30/59/00/333305900.db2.gz KPLZMFCYBGJIQF-UHFFFAOYSA-N 1 1 273.199 3.175 20 30 CGEDMO COCC1(C)CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000537997162 333570123 /nfs/dbraw/zinc/57/01/23/333570123.db2.gz DCAVFJGBAHFMBO-UHFFFAOYSA-N 1 1 291.822 3.440 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2ccccc2OC(F)(F)F)o1 ZINC000174252179 335151362 /nfs/dbraw/zinc/15/13/62/335151362.db2.gz JQDRICITPYMZJD-UHFFFAOYSA-N 1 1 296.248 3.340 20 30 CGEDMO COc1cc(Cl)ccc1C[NH2+]Cc1ccc(C#N)o1 ZINC000174370444 335153426 /nfs/dbraw/zinc/15/34/26/335153426.db2.gz HAGOHMHAGOHISU-UHFFFAOYSA-N 1 1 276.723 3.103 20 30 CGEDMO C=C(CC)C[NH2+][C@@H](C)c1nc(-c2ccccc2OC)no1 ZINC000541690842 333786898 /nfs/dbraw/zinc/78/68/98/333786898.db2.gz PHBZYRWVBMDSGW-LBPRGKRZSA-N 1 1 287.363 3.362 20 30 CGEDMO CCOC[C@@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000135080205 334114798 /nfs/dbraw/zinc/11/47/98/334114798.db2.gz ZXVHVCVWQBKAFI-OAHLLOKOSA-N 1 1 291.822 3.440 20 30 CGEDMO CCOC[C@@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000135080205 334114799 /nfs/dbraw/zinc/11/47/99/334114799.db2.gz ZXVHVCVWQBKAFI-OAHLLOKOSA-N 1 1 291.822 3.440 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1OC)[C@H](C)C1CC1 ZINC000549187556 334187410 /nfs/dbraw/zinc/18/74/10/334187410.db2.gz PKYCYODBYQPJBI-CYBMUJFWSA-N 1 1 275.392 3.490 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1OC)[C@@H](C)C1CC1 ZINC000549187557 334187417 /nfs/dbraw/zinc/18/74/17/334187417.db2.gz PKYCYODBYQPJBI-ZDUSSCGKSA-N 1 1 275.392 3.490 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000245413022 334191039 /nfs/dbraw/zinc/19/10/39/334191039.db2.gz BBFRBBLBRNUJTB-QAPCUYQASA-N 1 1 286.419 3.104 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000245413022 334191040 /nfs/dbraw/zinc/19/10/40/334191040.db2.gz BBFRBBLBRNUJTB-QAPCUYQASA-N 1 1 286.419 3.104 20 30 CGEDMO C=CCOCC[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000549446630 334194256 /nfs/dbraw/zinc/19/42/56/334194256.db2.gz WEOCRSHVQOMRDU-HIFRSBDPSA-N 1 1 263.356 3.206 20 30 CGEDMO CC1(C)C[N@H+]([C@H]2CC[C@@H](C#N)C2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000550065340 334212313 /nfs/dbraw/zinc/21/23/13/334212313.db2.gz ZTTRJQIXHRBVRL-LFRCEIEQSA-N 1 1 288.435 3.348 20 30 CGEDMO CC#CC[N@H+](C)Cc1cc(F)cc(Br)c1 ZINC000550128275 334213891 /nfs/dbraw/zinc/21/38/91/334213891.db2.gz WJNFDGPBFJVFQK-UHFFFAOYSA-N 1 1 270.145 3.043 20 30 CGEDMO CC#CC[N@@H+](C)Cc1cc(F)cc(Br)c1 ZINC000550128275 334213892 /nfs/dbraw/zinc/21/38/92/334213892.db2.gz WJNFDGPBFJVFQK-UHFFFAOYSA-N 1 1 270.145 3.043 20 30 CGEDMO C=CCOCCC[N@H+]1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000551403737 334249338 /nfs/dbraw/zinc/24/93/38/334249338.db2.gz MNCITIGVLPCWNV-MRXNPFEDSA-N 1 1 299.336 3.428 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000551403737 334249339 /nfs/dbraw/zinc/24/93/39/334249339.db2.gz MNCITIGVLPCWNV-MRXNPFEDSA-N 1 1 299.336 3.428 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000552214692 334303981 /nfs/dbraw/zinc/30/39/81/334303981.db2.gz DEQRYCKSHVTTAU-NHYWBVRUSA-N 1 1 273.767 3.360 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000248913395 334321874 /nfs/dbraw/zinc/32/18/74/334321874.db2.gz YTNTUFRZJGXINI-SJORKVTESA-N 1 1 271.429 3.398 20 30 CGEDMO CC[N@@H+](C[C@H](C)C#N)C[C@H]1CCOc2ccccc21 ZINC000252788429 334392971 /nfs/dbraw/zinc/39/29/71/334392971.db2.gz NWLDGJIBTFRMDA-ZIAGYGMSSA-N 1 1 258.365 3.034 20 30 CGEDMO Cc1ncncc1[C@@H](C)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000568413823 334823997 /nfs/dbraw/zinc/82/39/97/334823997.db2.gz ROIWEEGSWRLBKY-RHSMWYFYSA-N 1 1 280.375 3.481 20 30 CGEDMO C=CCCCC[N@@H+]1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000576766064 335245825 /nfs/dbraw/zinc/24/58/25/335245825.db2.gz MQOLBPZGYUZJBS-OAHLLOKOSA-N 1 1 261.413 3.202 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)cn1)[C@@H](C)c1cccc(O)c1 ZINC000577570061 335370306 /nfs/dbraw/zinc/37/03/06/335370306.db2.gz WZYVMYPVOQGNEV-ZDUSSCGKSA-N 1 1 281.359 3.242 20 30 CGEDMO CCc1ccc([C@H](COC)[NH2+]Cc2cc(C#N)cs2)o1 ZINC000177705828 335380163 /nfs/dbraw/zinc/38/01/63/335380163.db2.gz HANSPISQLLRPRU-AWEZNQCLSA-N 1 1 290.388 3.252 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccc(C(F)(F)F)cc1 ZINC000195000332 336042347 /nfs/dbraw/zinc/04/23/47/336042347.db2.gz HCXOHOVTGPJNIL-UHFFFAOYSA-N 1 1 273.298 3.340 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C(=O)OC)c1Cl)C1CC1 ZINC000382534173 336092726 /nfs/dbraw/zinc/09/27/26/336092726.db2.gz LPWNGLLJAMQJOI-UHFFFAOYSA-N 1 1 279.767 3.277 20 30 CGEDMO C=CC[N@H+](Cc1cccc(C(=O)OC)c1Cl)C1CC1 ZINC000382534173 336092727 /nfs/dbraw/zinc/09/27/27/336092727.db2.gz LPWNGLLJAMQJOI-UHFFFAOYSA-N 1 1 279.767 3.277 20 30 CGEDMO C=CCCCCCNC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000581735091 336140172 /nfs/dbraw/zinc/14/01/72/336140172.db2.gz HCIGHHIQKFQURA-INIZCTEOSA-N 1 1 295.471 3.010 20 30 CGEDMO C[C@@H]1C[C@H](C[N@@H+](CCC#N)CC(C)(C)C)CCO1 ZINC000352690403 533839900 /nfs/dbraw/zinc/83/99/00/533839900.db2.gz DTMTULJJHPERRF-ZIAGYGMSSA-N 1 1 252.402 3.063 20 30 CGEDMO COc1cc(C[NH2+][C@H]2C[C@]2(F)c2ccccc2)ccc1C#N ZINC000424208732 533908243 /nfs/dbraw/zinc/90/82/43/533908243.db2.gz YTAIGAZNNPTXLR-ROUUACIJSA-N 1 1 296.345 3.294 20 30 CGEDMO C[C@@H]1Cc2ccccc2C[N@H+]1CCOc1cccc(C#N)c1 ZINC000357772654 534073825 /nfs/dbraw/zinc/07/38/25/534073825.db2.gz CQAULASARHWASG-OAHLLOKOSA-N 1 1 292.382 3.384 20 30 CGEDMO C[C@@H]1CC[C@@]2(CC[N@@H+](Cc3cnc4ccc(C#N)cn34)C2)C1 ZINC000368086555 534205328 /nfs/dbraw/zinc/20/53/28/534205328.db2.gz QNXACZFPALAVCL-RDTXWAMCSA-N 1 1 294.402 3.218 20 30 CGEDMO Cc1ccc(-c2ncc(C[NH2+][C@H]3CCC[C@H]3C#N)s2)o1 ZINC000350458606 534218988 /nfs/dbraw/zinc/21/89/88/534218988.db2.gz KAOKPJXIYHZUMC-AAEUAGOBSA-N 1 1 287.388 3.493 20 30 CGEDMO CCOc1cccc(C[N@@H+](C)Cc2cccc(C#N)c2)c1O ZINC000130761609 521333869 /nfs/dbraw/zinc/33/38/69/521333869.db2.gz LBINCOHQOBTNRO-UHFFFAOYSA-N 1 1 296.370 3.295 20 30 CGEDMO CC[C@@H]1CCCC[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000157308297 523175949 /nfs/dbraw/zinc/17/59/49/523175949.db2.gz LSRHAIYESYMGPP-OAHLLOKOSA-N 1 1 288.391 3.210 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@H](C)c2ccc(C#N)cc2)cc1O ZINC000080963828 524009366 /nfs/dbraw/zinc/00/93/66/524009366.db2.gz GYULESGPAYEQGW-CYBMUJFWSA-N 1 1 296.370 3.465 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCSC3(CCC3)CC2)c1 ZINC000411870520 534806589 /nfs/dbraw/zinc/80/65/89/534806589.db2.gz OYZLGAZSLKTZQI-UHFFFAOYSA-N 1 1 272.417 3.420 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1CCO[C@@H](C)C1 ZINC000352690691 526347257 /nfs/dbraw/zinc/34/72/57/526347257.db2.gz GJLVQKWOOXKKIU-MAUKXSAKSA-N 1 1 284.403 3.361 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](C)CC[C@H]2c2ccccc2)C1=O ZINC000352801904 526512769 /nfs/dbraw/zinc/51/27/69/526512769.db2.gz UJQUSHIWIIZBHI-NJAFHUGGSA-N 1 1 298.430 3.247 20 30 CGEDMO N#Cc1c(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)cn2ccccc12 ZINC000103468932 526518254 /nfs/dbraw/zinc/51/82/54/526518254.db2.gz FOLIEYDVQNBXSQ-SFHVURJKSA-N 1 1 290.370 3.476 20 30 CGEDMO N#Cc1c(C[N@H+]2CCC[C@H]2c2ccc[nH]2)cn2ccccc12 ZINC000103468932 526518261 /nfs/dbraw/zinc/51/82/61/526518261.db2.gz FOLIEYDVQNBXSQ-SFHVURJKSA-N 1 1 290.370 3.476 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H]1C=CCCC1 ZINC000352788881 526561591 /nfs/dbraw/zinc/56/15/91/526561591.db2.gz AXHBUNNGIKNDHI-CQSZACIVSA-N 1 1 261.365 3.259 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@]1(C)CCCO ZINC000349179694 526932302 /nfs/dbraw/zinc/93/23/02/526932302.db2.gz CEUQSBQADIDCND-GOSISDBHSA-N 1 1 289.419 3.378 20 30 CGEDMO C=CCCCCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000352265429 527126497 /nfs/dbraw/zinc/12/64/97/527126497.db2.gz KWRJRPNYULOQSW-HNNXBMFYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000346976276 527193570 /nfs/dbraw/zinc/19/35/70/527193570.db2.gz ZLKTXTTVOMLLKZ-GJZGRUSLSA-N 1 1 286.419 3.251 20 30 CGEDMO C=CCCC[N@@H+](CC=C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000344579534 527196052 /nfs/dbraw/zinc/19/60/52/527196052.db2.gz IPOSLPFCOJOGMP-HNNXBMFYSA-N 1 1 297.406 3.178 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2ccnc(C)n2)CCCC1(C)C ZINC000353230291 527226700 /nfs/dbraw/zinc/22/67/00/527226700.db2.gz LQXUDGVBTAUGTK-OAHLLOKOSA-N 1 1 259.397 3.352 20 30 CGEDMO C=CCC[N@H+](C)Cc1conc1Cc1ccccc1 ZINC000353121849 527322626 /nfs/dbraw/zinc/32/26/26/527322626.db2.gz DPWPEBDOVRVXTG-UHFFFAOYSA-N 1 1 256.349 3.273 20 30 CGEDMO CC(C)C[N@@H+](CC[C@@H]1CCOC1)Cc1ccc(C#N)cc1 ZINC000437580922 527940371 /nfs/dbraw/zinc/94/03/71/527940371.db2.gz REXPZSOIVKLWNT-GOSISDBHSA-N 1 1 286.419 3.443 20 30 CGEDMO CC[N@@H+](CCC1CC1)CC(=O)N(CCC#N)c1ccccc1 ZINC000355035870 528423540 /nfs/dbraw/zinc/42/35/40/528423540.db2.gz IROFFQNCLNDBFE-UHFFFAOYSA-N 1 1 299.418 3.055 20 30 CGEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C1COC1 ZINC000449348117 528939564 /nfs/dbraw/zinc/93/95/64/528939564.db2.gz BHMUEIKAWJMEDU-UHFFFAOYSA-N 1 1 298.308 3.186 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C1COC1 ZINC000449348117 528939569 /nfs/dbraw/zinc/93/95/69/528939569.db2.gz BHMUEIKAWJMEDU-UHFFFAOYSA-N 1 1 298.308 3.186 20 30 CGEDMO CC[C@@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000312947948 535824141 /nfs/dbraw/zinc/82/41/41/535824141.db2.gz HPNPCMXRHMDBEV-UONOGXRCSA-N 1 1 285.391 3.007 20 30 CGEDMO CCC[N@@H+](CC)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000727821388 571771140 /nfs/dbraw/zinc/77/11/40/571771140.db2.gz YXMWPQYFFWKTQU-UHFFFAOYSA-N 1 1 268.364 3.111 20 30 CGEDMO CCCCCCCC[N@H+]1CCCC[C@@H]1CC(N)=O ZINC000740876046 571890971 /nfs/dbraw/zinc/89/09/71/571890971.db2.gz LJJDLZPPPLWNQJ-CQSZACIVSA-N 1 1 254.418 3.077 20 30 CGEDMO C#CCOc1ccccc1C[N@H+](C)Cc1cccc(OC)c1 ZINC000730378397 572349887 /nfs/dbraw/zinc/34/98/87/572349887.db2.gz CWKFCZLAIFEIGK-UHFFFAOYSA-N 1 1 295.382 3.339 20 30 CGEDMO C=CCn1c(C)nn(C[N@H+]2CCCCC[C@H]2C)c1=S ZINC000738225085 572366719 /nfs/dbraw/zinc/36/67/19/572366719.db2.gz RAZCYQPRMXHQEI-GFCCVEGCSA-N 1 1 280.441 3.131 20 30 CGEDMO C=CCn1c(C)nn(C[N@@H+]2CCCCC[C@H]2C)c1=S ZINC000738225085 572366723 /nfs/dbraw/zinc/36/67/23/572366723.db2.gz RAZCYQPRMXHQEI-GFCCVEGCSA-N 1 1 280.441 3.131 20 30 CGEDMO C#CC[N@H+](Cc1noc2c1CCCC2)C1CCCCC1 ZINC000731212043 572402392 /nfs/dbraw/zinc/40/23/92/572402392.db2.gz PDPTYYUWKSDYFN-UHFFFAOYSA-N 1 1 272.392 3.321 20 30 CGEDMO C#CC[N@@H+](Cc1noc2c1CCCC2)C1CCCCC1 ZINC000731212043 572402395 /nfs/dbraw/zinc/40/23/95/572402395.db2.gz PDPTYYUWKSDYFN-UHFFFAOYSA-N 1 1 272.392 3.321 20 30 CGEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+](C)CC(C)(C)C ZINC000739857538 572425028 /nfs/dbraw/zinc/42/50/28/572425028.db2.gz MUGLUWYZBWKTOV-UHFFFAOYSA-N 1 1 297.406 3.061 20 30 CGEDMO CC[N@@H+](CC1CC1)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000732663334 572477029 /nfs/dbraw/zinc/47/70/29/572477029.db2.gz SUOAEZRIWHGVEQ-UHFFFAOYSA-N 1 1 280.375 3.111 20 30 CGEDMO C=C(Cl)C[N@H+](CCC)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000741054730 572480014 /nfs/dbraw/zinc/48/00/14/572480014.db2.gz UJFQCEZRBWWKPU-XQQFMLRXSA-N 1 1 257.805 3.264 20 30 CGEDMO C[C@H]1CC(N=Nc2ccc3ccccc3n2)CC[N@H+]1C ZINC000741451484 572498591 /nfs/dbraw/zinc/49/85/91/572498591.db2.gz ILIZUKFRWPTIIY-LBPRGKRZSA-N 1 1 268.364 3.117 20 30 CGEDMO CCCCCCCCC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000741625770 572515282 /nfs/dbraw/zinc/51/52/82/572515282.db2.gz SAPLPISZWTWACF-OAHLLOKOSA-N 1 1 268.445 3.290 20 30 CGEDMO CC(C)[N@@H+](CC1CC1)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000744137207 572713100 /nfs/dbraw/zinc/71/31/00/572713100.db2.gz LNNNSWNSZTWUTG-UHFFFAOYSA-N 1 1 294.402 3.500 20 30 CGEDMO CCC[N@@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000735310061 572714351 /nfs/dbraw/zinc/71/43/51/572714351.db2.gz PHTWTHPHLWZVFZ-UHFFFAOYSA-N 1 1 252.745 3.084 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)c1ccc(OC(F)F)cc1 ZINC000746457972 572872682 /nfs/dbraw/zinc/87/26/82/572872682.db2.gz XIGANNHELIDTKG-LLVKDONJSA-N 1 1 253.292 3.304 20 30 CGEDMO C[C@@H]1CC(=NOCc2cccnc2)C[N@H+]1Cc1ccccc1 ZINC000746588106 572883319 /nfs/dbraw/zinc/88/33/19/572883319.db2.gz YOFZDBYKQSXSDL-OAHLLOKOSA-N 1 1 295.386 3.249 20 30 CGEDMO C=CCC[N@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000747533035 572935047 /nfs/dbraw/zinc/93/50/47/572935047.db2.gz HVTVLXWOHRXDNU-UHFFFAOYSA-N 1 1 270.417 3.045 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000747620108 572936663 /nfs/dbraw/zinc/93/66/63/572936663.db2.gz RJDKQQNCNIJBII-UHFFFAOYSA-N 1 1 273.376 3.097 20 30 CGEDMO C=CC[N@H+](Cc1ccn(-c2ccccc2)n1)C(C)C ZINC000748806979 572984803 /nfs/dbraw/zinc/98/48/03/572984803.db2.gz XHSCRJXCICWOHU-UHFFFAOYSA-N 1 1 255.365 3.269 20 30 CGEDMO C=CC[N@@H+](Cc1ccn(-c2ccccc2)n1)C(C)C ZINC000748806979 572984805 /nfs/dbraw/zinc/98/48/05/572984805.db2.gz XHSCRJXCICWOHU-UHFFFAOYSA-N 1 1 255.365 3.269 20 30 CGEDMO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000749840632 573045366 /nfs/dbraw/zinc/04/53/66/573045366.db2.gz NOWKGXTZPFQDJH-LLVKDONJSA-N 1 1 299.305 3.456 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1cc2c(C)nn(C)c2nc1Cl ZINC000750282624 573107674 /nfs/dbraw/zinc/10/76/74/573107674.db2.gz OXGQSOKXCNDWAP-UHFFFAOYSA-N 1 1 292.814 3.328 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc2c(C)nn(C)c2nc1Cl ZINC000750282624 573107679 /nfs/dbraw/zinc/10/76/79/573107679.db2.gz OXGQSOKXCNDWAP-UHFFFAOYSA-N 1 1 292.814 3.328 20 30 CGEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCCCC[N@@H+]2CCC)cc1 ZINC000968976327 613179017 /nfs/dbraw/zinc/17/90/17/613179017.db2.gz BCAOPUVQKPHVRB-SFHVURJKSA-N 1 1 298.430 3.052 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)C2=CCCCCC2)CC1 ZINC000981044299 613252074 /nfs/dbraw/zinc/25/20/74/613252074.db2.gz WJOCDUCZFXOGCN-UHFFFAOYSA-N 1 1 290.451 3.377 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)CC2CC2)CC1 ZINC000948140313 613256312 /nfs/dbraw/zinc/25/63/12/613256312.db2.gz QGEDARNFUSYHDO-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2(C)CC(=C)C2)[C@@H](C)C1 ZINC000942608206 613265257 /nfs/dbraw/zinc/26/52/57/613265257.db2.gz REXFASARCHJJBG-JKSUJKDBSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)C2CC2)C(C)(C)C1 ZINC000940655448 613266700 /nfs/dbraw/zinc/26/67/00/613266700.db2.gz NAXHWQPKRKJILG-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1cc(C)co1 ZINC000968998435 613306515 /nfs/dbraw/zinc/30/65/15/613306515.db2.gz WECLEIMLTCLQHQ-OAHLLOKOSA-N 1 1 290.407 3.139 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1cccs1 ZINC000968738680 613306649 /nfs/dbraw/zinc/30/66/49/613306649.db2.gz YKRDGGNAHKFNSE-CQSZACIVSA-N 1 1 292.448 3.299 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccoc1C ZINC000968741692 613306830 /nfs/dbraw/zinc/30/68/30/613306830.db2.gz XHFCOTLONMFOCM-OAHLLOKOSA-N 1 1 290.407 3.139 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC=CCC2)CC1 ZINC000948170120 613314064 /nfs/dbraw/zinc/31/40/64/613314064.db2.gz ZLSDRCWFCMJVGB-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)c2ccc(C)o2)CC1 ZINC000948164849 613314879 /nfs/dbraw/zinc/31/48/79/613314879.db2.gz HQXNBUCYNOVGLX-HNNXBMFYSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@]23C[C@H]2CCC3)CC1 ZINC000948634737 613315256 /nfs/dbraw/zinc/31/52/56/613315256.db2.gz GWNFFTYEKJTWGU-SOLBZPMBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)C[C@H]2CCCC(C)(C)C2)CC1 ZINC000957331148 613316963 /nfs/dbraw/zinc/31/69/63/613316963.db2.gz YZZUTRKHJHRMPT-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2(C3CC3)CCC2)C[C@@H]1C ZINC000947572226 613326831 /nfs/dbraw/zinc/32/68/31/613326831.db2.gz LYOYOSDKCAGLGQ-GOEBONIOSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2(C3CC3)CCC2)C[C@H]1C ZINC000947572225 613326845 /nfs/dbraw/zinc/32/68/45/613326845.db2.gz LYOYOSDKCAGLGQ-GDBMZVCRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2CCC(=C)CC2)[C@@H](C)C1 ZINC000942601091 613327320 /nfs/dbraw/zinc/32/73/20/613327320.db2.gz ZQBNIGJFBIMYMR-DOTOQJQBSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2csc(C)c2)[C@H](C)C1 ZINC000943644913 613331563 /nfs/dbraw/zinc/33/15/63/613331563.db2.gz BGFDVMJLLRXCKI-IUODEOHRSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC(C)C)C2)C1 ZINC000961105765 613332250 /nfs/dbraw/zinc/33/22/50/613332250.db2.gz BFULEMOIYXFDTQ-IAGOWNOFSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC000967491870 613333634 /nfs/dbraw/zinc/33/36/34/613333634.db2.gz AVYFKZQPJOMTQP-GOEBONIOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)C=C2CCCCC2)C1 ZINC000965450503 613333927 /nfs/dbraw/zinc/33/39/27/613333927.db2.gz QIBOROHTNHHIHA-DOTOQJQBSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C2(C)CC(=C)C2)C(C)(C)C1 ZINC000941015590 613334382 /nfs/dbraw/zinc/33/43/82/613334382.db2.gz BGVZWUXQOBQIGK-HNNXBMFYSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C2(C)CCCCC2)C(C)(C)C1 ZINC000975004735 613337651 /nfs/dbraw/zinc/33/76/51/613337651.db2.gz HWQTZMFHNUJIIT-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC2(C)C)C(C)(C)C1 ZINC000974938876 613337849 /nfs/dbraw/zinc/33/78/49/613337849.db2.gz VMOISVWIMJZJOF-LSDHHAIUSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)C[C@@H]2C=CCCC2)C(C)(C)C1 ZINC000974720291 613341506 /nfs/dbraw/zinc/34/15/06/613341506.db2.gz MLWRCQKSUIGJBK-CVEARBPZSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(C)CC(=C)C2)C[C@@H]1C ZINC000947702599 613376155 /nfs/dbraw/zinc/37/61/55/613376155.db2.gz QFSQIPMFWNTENH-UONOGXRCSA-N 1 1 296.842 3.064 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(C)CC(=C)C2)C[C@@H]1C ZINC000947702599 613376156 /nfs/dbraw/zinc/37/61/56/613376156.db2.gz QFSQIPMFWNTENH-UONOGXRCSA-N 1 1 296.842 3.064 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccsc2)C[C@@H]1C ZINC000947001320 613376914 /nfs/dbraw/zinc/37/69/14/613376914.db2.gz NXYIKMXNOSYGRD-WCQYABFASA-N 1 1 298.839 3.083 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccsc2)C[C@@H]1C ZINC000947001320 613376915 /nfs/dbraw/zinc/37/69/15/613376915.db2.gz NXYIKMXNOSYGRD-WCQYABFASA-N 1 1 298.839 3.083 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC3(C2)CCC[N@H+](CCCC)C3)C1 ZINC000982000867 613393261 /nfs/dbraw/zinc/39/32/61/613393261.db2.gz LSBSYNPHLHWHBV-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[N@H+](CCC(C)(C)C)CC2)C1 ZINC000981909624 613393386 /nfs/dbraw/zinc/39/33/86/613393386.db2.gz PCMLYXTYNLXGOP-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CC3CCC3)[C@@H](C)C2)C1 ZINC000947701939 613401082 /nfs/dbraw/zinc/40/10/82/613401082.db2.gz HKUNCNDWUHWIPS-HOCLYGCPSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2C[N@H+](C[C@H](C)CC)CC2(C)C)C1 ZINC000975025770 613401770 /nfs/dbraw/zinc/40/17/70/613401770.db2.gz KFWDWQAEBMHGOQ-HIFRSBDPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[N@@H+](C/C=C/Cl)CC2)CC1 ZINC000981873611 613404188 /nfs/dbraw/zinc/40/41/88/613404188.db2.gz POWUEGXKODVTGD-KRXBUXKQSA-N 1 1 296.842 3.020 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[N@H+](C/C=C/Cl)CC2)CC1 ZINC000981873611 613404189 /nfs/dbraw/zinc/40/41/89/613404189.db2.gz POWUEGXKODVTGD-KRXBUXKQSA-N 1 1 296.842 3.020 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](CCC)[C@H](C)C2)CC1 ZINC000947686272 613410045 /nfs/dbraw/zinc/41/00/45/613410045.db2.gz WDMPWYDEKWZYKK-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[N@H+](CCCC)C[C@H]2C)CC1 ZINC000942599717 613412845 /nfs/dbraw/zinc/41/28/45/613412845.db2.gz DAFLJEGGLDCMLY-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@H]1C[N@H+](C)CC1CC(C)C1 ZINC000960793026 613432920 /nfs/dbraw/zinc/43/29/20/613432920.db2.gz XGUCPGAXTPGJLT-GPANFISMSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[NH+]([C@@H]2CCc3ccccc32)CC1 ZINC000949666837 613433732 /nfs/dbraw/zinc/43/37/32/613433732.db2.gz FWNAYYUHUXHZMZ-QGZVFWFLSA-N 1 1 298.430 3.030 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC000950406120 613477300 /nfs/dbraw/zinc/47/73/00/613477300.db2.gz FUTKRNXFEWMZSN-MRXNPFEDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)c2ccc3occc3c2)C1 ZINC000950388557 613480186 /nfs/dbraw/zinc/48/01/86/613480186.db2.gz DGNQGEWGWCWTAO-UHFFFAOYSA-N 1 1 298.386 3.155 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)C(C)(C)C2CCCC2)CC1 ZINC000981350153 613491635 /nfs/dbraw/zinc/49/16/35/613491635.db2.gz HLEHVBJBRVDZBL-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)C2(F)CCCC2)CC1 ZINC000948570628 613499407 /nfs/dbraw/zinc/49/94/07/613499407.db2.gz NJXMAOFSKZFLAR-OAHLLOKOSA-N 1 1 296.430 3.158 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)F)C1 ZINC000963231655 613501638 /nfs/dbraw/zinc/50/16/38/613501638.db2.gz MEMGBDIRWPJDQK-GJZGRUSLSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2sccc2C)C1 ZINC000964682908 613531037 /nfs/dbraw/zinc/53/10/37/613531037.db2.gz GQCLJFKGJMEWRZ-JSGCOSHPSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc(C)c2)C1 ZINC000964871885 613532609 /nfs/dbraw/zinc/53/26/09/613532609.db2.gz HMUBMCNHNGOFCS-DOTOQJQBSA-N 1 1 286.419 3.011 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2=CCCCCC2)C[C@@H]1C ZINC000947245101 613534369 /nfs/dbraw/zinc/53/43/69/613534369.db2.gz QMACWXXMCJSRGK-RDJZCZTQSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)CC2CC(C)(C)C2)[C@@H](C)C1 ZINC000942577769 613535037 /nfs/dbraw/zinc/53/50/37/613535037.db2.gz OXLJTFZMQQOYCP-HOCLYGCPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC=CCC2)C(C)(C)C1 ZINC000940559973 613536537 /nfs/dbraw/zinc/53/65/37/613536537.db2.gz KIIBSDOZZMQVFC-CVEARBPZSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)c2ccsc2)C(C)(C)C1 ZINC000940558240 613540004 /nfs/dbraw/zinc/54/00/04/613540004.db2.gz UUJWNKYXSUUIJA-AWEZNQCLSA-N 1 1 292.448 3.155 20 30 CGEDMO C=CCC[N@H+]1C[C@H](NC(=O)c2ccc(C=C)cc2)C(C)(C)C1 ZINC000975063217 613555605 /nfs/dbraw/zinc/55/56/05/613555605.db2.gz HPEPYNKROKLMDP-KRWDZBQOSA-N 1 1 298.430 3.346 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](F)CC2CCCCC2)C1 ZINC000972736509 613615102 /nfs/dbraw/zinc/61/51/02/613615102.db2.gz YXSIEODTMWOSSU-CVEARBPZSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(C3CCC3)cc2)C1 ZINC000971640785 613620464 /nfs/dbraw/zinc/62/04/64/613620464.db2.gz IRLGQFUFVPZWKD-GOSISDBHSA-N 1 1 298.430 3.286 20 30 CGEDMO C=CC[N@H+]1CCCC2(CN(C(=O)C3CCCCCC3)C2)C1 ZINC000981663205 613677586 /nfs/dbraw/zinc/67/75/86/613677586.db2.gz BPKQVNWJKIISCC-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1sccc1C ZINC000968715607 613685438 /nfs/dbraw/zinc/68/54/38/613685438.db2.gz APUQKBCBWWEJHI-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1occc1Cl ZINC000969013819 613687901 /nfs/dbraw/zinc/68/79/01/613687901.db2.gz HBFRYUQTHHYMGK-LBPRGKRZSA-N 1 1 296.798 3.093 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@]2(C)CC=CCC2)CC1 ZINC000948405366 613701448 /nfs/dbraw/zinc/70/14/48/613701448.db2.gz SPKSJUQGNVMIAE-SJLPKXTDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2cc(C)oc2C)CC1 ZINC000948176560 613701525 /nfs/dbraw/zinc/70/15/25/613701525.db2.gz AVDSDMFZCONFOL-OAHLLOKOSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2(C)CCC2)C1 ZINC000963339852 613702890 /nfs/dbraw/zinc/70/28/90/613702890.db2.gz MEYUNQYKHCSYLY-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)CC)C1 ZINC000963354008 613703105 /nfs/dbraw/zinc/70/31/05/613703105.db2.gz WSVXUJHKMWQJSK-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@H](CC)CC2)[C@@H](C)C1 ZINC000944230036 613745752 /nfs/dbraw/zinc/74/57/52/613745752.db2.gz YCOMAZYNZPAWMP-LUKYLMHMSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccoc2C(C)C)C1 ZINC000968684476 613774983 /nfs/dbraw/zinc/77/49/83/613774983.db2.gz DATIMUXGVGKUSB-DZGCQCFKSA-N 1 1 290.407 3.029 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)C2=CCCCCC2)C(C)(C)C1 ZINC000940709642 613780184 /nfs/dbraw/zinc/78/01/84/613780184.db2.gz JJHFSQXFJLUVEY-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cc(C)ccc2C)C[C@@H]1C ZINC000947971100 613787305 /nfs/dbraw/zinc/78/73/05/613787305.db2.gz HWEAVANIFKCUCS-HOTGVXAUSA-N 1 1 286.419 3.072 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C3CC3)cc2)C[C@@H]1C ZINC000948061247 613789815 /nfs/dbraw/zinc/78/98/15/613789815.db2.gz QPRXZIOPFJVFQJ-KSSFIOAISA-N 1 1 298.430 3.333 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2Cl)C[C@@H]1C ZINC000947958033 613791910 /nfs/dbraw/zinc/79/19/10/613791910.db2.gz OPSITOOJPVXBLY-STQMWFEESA-N 1 1 292.810 3.109 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2occc2C(C)C)C[C@H]1C ZINC000947652822 613800878 /nfs/dbraw/zinc/80/08/78/613800878.db2.gz FGJYCXSHEPWMJZ-KGLIPLIRSA-N 1 1 290.407 3.172 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)[C@H]2CCC=CCCC2)C(C)(C)C1 ZINC000974726368 613827754 /nfs/dbraw/zinc/82/77/54/613827754.db2.gz AJJMQGCKZJYYBW-HOTGVXAUSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)c2ccsc2Cl)C(C)(C)C1 ZINC000977214460 613829476 /nfs/dbraw/zinc/82/94/76/613829476.db2.gz DMTMIXROWFWULM-NSHDSACASA-N 1 1 298.839 3.028 20 30 CGEDMO CC(C)C[N@@H+](CCCOc1ccc(C#N)cc1)C1CC1 ZINC000042249985 620714471 /nfs/dbraw/zinc/71/44/71/620714471.db2.gz GXORVQXSAGILNA-UHFFFAOYSA-N 1 1 272.392 3.448 20 30 CGEDMO C=CC[C@@H]1CCN1C(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000890549589 617635714 /nfs/dbraw/zinc/63/57/14/617635714.db2.gz BHRAPZVWIHXBBK-ZWKOTPCHSA-N 1 1 298.430 3.286 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccc(OC)cc2)no1 ZINC000899998742 620743904 /nfs/dbraw/zinc/74/39/04/620743904.db2.gz UGWQMXQXLPPKEP-ZDUSSCGKSA-N 1 1 273.336 3.101 20 30 CGEDMO CCCCCCCC[C@H]([NH3+])c1nc(-c2ncc[nH]2)no1 ZINC000900014909 620745912 /nfs/dbraw/zinc/74/59/12/620745912.db2.gz FJANMWUDRUARJO-NSHDSACASA-N 1 1 277.372 3.210 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCCC2(CC2)CC1 ZINC000860070365 617749787 /nfs/dbraw/zinc/74/97/87/617749787.db2.gz UFTJMRDWPZQJII-UHFFFAOYSA-N 1 1 258.340 3.463 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(Br)cn1)C(C)(C)C ZINC000932463918 617766571 /nfs/dbraw/zinc/76/65/71/617766571.db2.gz QPCOCVQMGBGVNS-UHFFFAOYSA-N 1 1 281.197 3.078 20 30 CGEDMO C=C(C)c1cccc(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)c1 ZINC000890890295 617892050 /nfs/dbraw/zinc/89/20/50/617892050.db2.gz OWPLPZXXQXXCKH-HNNXBMFYSA-N 1 1 295.386 3.426 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CCCC2)C1 ZINC001021491554 618011107 /nfs/dbraw/zinc/01/11/07/618011107.db2.gz CDSLQOYMRLJJCA-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccccc2)C1 ZINC001021505102 618014997 /nfs/dbraw/zinc/01/49/97/618014997.db2.gz ILBZTFJPKINNJH-QZTJIDSGSA-N 1 1 298.430 3.189 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(F)=C(C)C)C1 ZINC001021564675 618046568 /nfs/dbraw/zinc/04/65/68/618046568.db2.gz ZYAPAZSJIZMZGZ-HUUCEWRRSA-N 1 1 294.414 3.139 20 30 CGEDMO CCO[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000932970087 618112939 /nfs/dbraw/zinc/11/29/39/618112939.db2.gz UKQLMMHPTBZMDJ-INIZCTEOSA-N 1 1 272.392 3.099 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@@H](Cc2nc(C)cs2)C1 ZINC000933126817 618158807 /nfs/dbraw/zinc/15/88/07/618158807.db2.gz RQHMCZSXBOSFKD-STQMWFEESA-N 1 1 250.411 3.281 20 30 CGEDMO C#CCC1([NH2+][C@@H](C)c2nc(CCCC)no2)CCC1 ZINC000933304050 618198105 /nfs/dbraw/zinc/19/81/05/618198105.db2.gz YDWPFVUWCBANJB-LBPRGKRZSA-N 1 1 261.369 3.009 20 30 CGEDMO COC1CCC(C[N@@H+](CCC#N)CC(C)C)CC1 ZINC000891464158 618227803 /nfs/dbraw/zinc/22/78/03/618227803.db2.gz CGVWALMDYXXZAH-UHFFFAOYSA-N 1 1 252.402 3.063 20 30 CGEDMO CCC[N@@H+](Cc1cn(CC)nc1C)Cc1ccc(C#N)cc1 ZINC000891654180 618244146 /nfs/dbraw/zinc/24/41/46/618244146.db2.gz YCNDRZMDZYCMCN-UHFFFAOYSA-N 1 1 296.418 3.495 20 30 CGEDMO CO[C@@H](C[N@@H+](C)Cc1cc(C#N)cs1)c1ccccc1 ZINC000933772323 618324237 /nfs/dbraw/zinc/32/42/37/618324237.db2.gz ORWBONLXCJKIJB-INIZCTEOSA-N 1 1 286.400 3.439 20 30 CGEDMO N#Cc1cc(C[N@H+](CCO)[C@H]2CCc3ccccc32)cs1 ZINC000892042364 618501306 /nfs/dbraw/zinc/50/13/06/618501306.db2.gz OTGGQMMWHXFOSR-KRWDZBQOSA-N 1 1 298.411 3.102 20 30 CGEDMO CC[N@@H+](CCc1nccs1)Cc1csc(C#N)c1 ZINC000892138644 618554112 /nfs/dbraw/zinc/55/41/12/618554112.db2.gz PKUCRDKRJPFQBN-UHFFFAOYSA-N 1 1 277.418 3.141 20 30 CGEDMO COc1ccc(C[N@H+](CCC#N)CC(C)C)cc1OC ZINC000043419697 618594651 /nfs/dbraw/zinc/59/46/51/618594651.db2.gz NXZPAFDTOJTPJZ-UHFFFAOYSA-N 1 1 276.380 3.075 20 30 CGEDMO COc1ccc(C[N@@H+](CCC#N)CC(C)C)cc1OC ZINC000043419697 618594655 /nfs/dbraw/zinc/59/46/55/618594655.db2.gz NXZPAFDTOJTPJZ-UHFFFAOYSA-N 1 1 276.380 3.075 20 30 CGEDMO NC(=[NH+]OCc1nccs1)C12CC3CC(CC(C3)C1)C2 ZINC000161216015 618610973 /nfs/dbraw/zinc/61/09/73/618610973.db2.gz GPQVQDHUTGRWLC-UHFFFAOYSA-N 1 1 291.420 3.148 20 30 CGEDMO C=C(C)CCc1noc(C[N@H+](C)CCc2ccccc2)n1 ZINC000924061703 618612054 /nfs/dbraw/zinc/61/20/54/618612054.db2.gz ASLWWJRCCXGEPB-UHFFFAOYSA-N 1 1 285.391 3.253 20 30 CGEDMO C=C(C)CCc1noc(C[N@@H+](C)CCc2ccccc2)n1 ZINC000924061703 618612056 /nfs/dbraw/zinc/61/20/56/618612056.db2.gz ASLWWJRCCXGEPB-UHFFFAOYSA-N 1 1 285.391 3.253 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000934467968 618625804 /nfs/dbraw/zinc/62/58/04/618625804.db2.gz WZPJOFOBFJZGJV-OAHLLOKOSA-N 1 1 253.349 3.023 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1CC(=O)Nc1ccccc1C(F)(F)F ZINC000934469397 618626831 /nfs/dbraw/zinc/62/68/31/618626831.db2.gz BTIRQZAQJFCHKW-LLVKDONJSA-N 1 1 298.308 3.294 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1CC(=O)Nc1ccccc1C(F)(F)F ZINC000934469397 618626835 /nfs/dbraw/zinc/62/68/35/618626835.db2.gz BTIRQZAQJFCHKW-LLVKDONJSA-N 1 1 298.308 3.294 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158472720 618637319 /nfs/dbraw/zinc/63/73/19/618637319.db2.gz GXORRYAPTBYTDZ-CVEARBPZSA-N 1 1 252.446 3.373 20 30 CGEDMO CCCCCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158472720 618637321 /nfs/dbraw/zinc/63/73/21/618637321.db2.gz GXORRYAPTBYTDZ-CVEARBPZSA-N 1 1 252.446 3.373 20 30 CGEDMO CCCCCCCN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158472720 618637324 /nfs/dbraw/zinc/63/73/24/618637324.db2.gz GXORRYAPTBYTDZ-CVEARBPZSA-N 1 1 252.446 3.373 20 30 CGEDMO CCCCCCCN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158472720 618637325 /nfs/dbraw/zinc/63/73/25/618637325.db2.gz GXORRYAPTBYTDZ-CVEARBPZSA-N 1 1 252.446 3.373 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1ccc2c(c1)CCC(=O)N2C ZINC000934644782 618664046 /nfs/dbraw/zinc/66/40/46/618664046.db2.gz IDPIDQXWZJBWCM-UHFFFAOYSA-N 1 1 286.419 3.384 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)CC(OCC)OCC ZINC000184934460 625281871 /nfs/dbraw/zinc/28/18/71/625281871.db2.gz OWHDIUIUHWPDFS-UHFFFAOYSA-N 1 1 263.381 3.074 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000934837704 618701830 /nfs/dbraw/zinc/70/18/30/618701830.db2.gz KNJBHEVFIBGFCF-MSOLQXFVSA-N 1 1 284.403 3.197 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000934837706 618702338 /nfs/dbraw/zinc/70/23/38/618702338.db2.gz KNJBHEVFIBGFCF-ROUUACIJSA-N 1 1 284.403 3.197 20 30 CGEDMO Cc1nonc1[C@H](C)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000926479224 618705820 /nfs/dbraw/zinc/70/58/20/618705820.db2.gz INZMOSTVDARBJF-SWLSCSKDSA-N 1 1 284.363 3.464 20 30 CGEDMO C(#Cc1ccccc1)CNC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000892431622 618777476 /nfs/dbraw/zinc/77/74/76/618777476.db2.gz UBUMIFFLBJBFDH-SFHVURJKSA-N 1 1 294.398 3.058 20 30 CGEDMO C[C@H](CC(C)(C)C#N)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000926707789 618832461 /nfs/dbraw/zinc/83/24/61/618832461.db2.gz VEKSXEJOJZLAMV-HUUCEWRRSA-N 1 1 277.456 3.311 20 30 CGEDMO C[C@H](CC(C)(C)C#N)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000926707789 618832463 /nfs/dbraw/zinc/83/24/63/618832463.db2.gz VEKSXEJOJZLAMV-HUUCEWRRSA-N 1 1 277.456 3.311 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@]2(C)CC=CCC2)C1 ZINC001007408866 618889150 /nfs/dbraw/zinc/88/91/50/618889150.db2.gz BFFFNASKXIRYTA-FUHWJXTLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[C@H]([NH2+]Cc1c(Cl)c(C)nn1C)c1ccncc1 ZINC000892972289 618967491 /nfs/dbraw/zinc/96/74/91/618967491.db2.gz ILGSYBIYHOEJNE-ZDUSSCGKSA-N 1 1 290.798 3.184 20 30 CGEDMO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1nnc(C(C)(C)C)s1 ZINC000925516635 619010531 /nfs/dbraw/zinc/01/05/31/619010531.db2.gz IJTYUYZSDHGESS-JTQLQIEISA-N 1 1 280.441 3.254 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001008229986 619067437 /nfs/dbraw/zinc/06/74/37/619067437.db2.gz MWWLDEFMSPAAIT-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001008229983 619067682 /nfs/dbraw/zinc/06/76/82/619067682.db2.gz MWWLDEFMSPAAIT-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1ccc(Cl)cc1Cl)[C@H]1CCCO1 ZINC000775341715 619068610 /nfs/dbraw/zinc/06/86/10/619068610.db2.gz NYECVWPDIMTVLP-ZIAGYGMSSA-N 1 1 284.186 3.264 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c1 ZINC000930867589 619085578 /nfs/dbraw/zinc/08/55/78/619085578.db2.gz RXJAZUKDCKNJIR-CYBMUJFWSA-N 1 1 282.721 3.443 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000931754177 619248925 /nfs/dbraw/zinc/24/89/25/619248925.db2.gz ZPCDRPKUCGUACO-SJLPKXTDSA-N 1 1 284.403 3.176 20 30 CGEDMO C#CC[N@@H+](Cc1[nH]nc(C)c1C)[C@H]1CCc2ccccc21 ZINC000893867015 619324687 /nfs/dbraw/zinc/32/46/87/619324687.db2.gz SEARMHODFMBXTA-SFHVURJKSA-N 1 1 279.387 3.149 20 30 CGEDMO C#CC[N@H+](Cc1[nH]nc(C)c1C)[C@H]1CCc2ccccc21 ZINC000893867015 619324688 /nfs/dbraw/zinc/32/46/88/619324688.db2.gz SEARMHODFMBXTA-SFHVURJKSA-N 1 1 279.387 3.149 20 30 CGEDMO C#C[C@H]([NH2+]Cc1c(Cl)n[nH]c1C1CC1)C(C)(C)C ZINC000894518405 619561862 /nfs/dbraw/zinc/56/18/62/619561862.db2.gz ZYBMJPVFETUSLD-NSHDSACASA-N 1 1 265.788 3.078 20 30 CGEDMO N#Cc1cc(C[N@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)cs1 ZINC000894736060 619617247 /nfs/dbraw/zinc/61/72/47/619617247.db2.gz NRJXOCQVSXOKFS-CABCVRRESA-N 1 1 258.390 3.240 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)o1 ZINC000895018654 619696731 /nfs/dbraw/zinc/69/67/31/619696731.db2.gz RBOCGBZQAIAQLZ-GFCCVEGCSA-N 1 1 270.332 3.353 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)cs1 ZINC000895082359 619719657 /nfs/dbraw/zinc/71/96/57/619719657.db2.gz OJKKABPEFPWRLK-ZFWWWQNUSA-N 1 1 276.405 3.011 20 30 CGEDMO C=CCCCCC[C@H](C)[NH2+]C[C@H]1CCCN(C)C1 ZINC000793539723 619730782 /nfs/dbraw/zinc/73/07/82/619730782.db2.gz GVLIPTFZXSCDPA-JKSUJKDBSA-N 1 1 252.446 3.443 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2nccc3c2CCCC3)C1 ZINC000895310957 619803374 /nfs/dbraw/zinc/80/33/74/619803374.db2.gz UCZRNQUEPXSKME-CQSZACIVSA-N 1 1 269.392 3.086 20 30 CGEDMO C[C@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000895380023 619817522 /nfs/dbraw/zinc/81/75/22/619817522.db2.gz XCIBOXLKRHMLEA-CRAIPNDOSA-N 1 1 285.435 3.110 20 30 CGEDMO N#Cc1cc(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cs1 ZINC000895475279 619835321 /nfs/dbraw/zinc/83/53/21/619835321.db2.gz YYLFFPXHDARVHO-IYBDPMFKSA-N 1 1 288.416 3.012 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000895524608 619843709 /nfs/dbraw/zinc/84/37/09/619843709.db2.gz PUWDUCMQYGHMMH-IAGOWNOFSA-N 1 1 286.419 3.104 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2c(Cl)n[nH]c2C2CC2)C1 ZINC000895557837 619849527 /nfs/dbraw/zinc/84/95/27/619849527.db2.gz HYOSRSRDWBACIX-JTQLQIEISA-N 1 1 265.788 3.339 20 30 CGEDMO C=C(C)C[C@H]([NH2+][C@@H](C)CCC(F)(F)F)C(=O)OCC ZINC000895597738 619858781 /nfs/dbraw/zinc/85/87/81/619858781.db2.gz KGECFSJHPBEFPK-QWRGUYRKSA-N 1 1 281.318 3.205 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@@H](O)C[C@@H]2c2ccccc2)cs1 ZINC000895708426 619874742 /nfs/dbraw/zinc/87/47/42/619874742.db2.gz KRCFMDVCVYXJTC-NVXWUHKLSA-N 1 1 298.411 3.318 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](O)C[C@@H]2c2ccccc2)cs1 ZINC000895708426 619874744 /nfs/dbraw/zinc/87/47/44/619874744.db2.gz KRCFMDVCVYXJTC-NVXWUHKLSA-N 1 1 298.411 3.318 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000896536892 620022990 /nfs/dbraw/zinc/02/29/90/620022990.db2.gz RHIGRRVNKLPYTL-KBPBESRZSA-N 1 1 277.437 3.337 20 30 CGEDMO N#Cc1ccc(N[C@H]2CCC[N@@H+](Cc3cccs3)C2)nc1 ZINC000896660556 620042427 /nfs/dbraw/zinc/04/24/27/620042427.db2.gz QLGPRLFKDJPHBG-AWEZNQCLSA-N 1 1 298.415 3.091 20 30 CGEDMO CC(C)(C)c1cc[nH+]c(NCc2nc(C#N)cs2)c1 ZINC000896929228 620104759 /nfs/dbraw/zinc/10/47/59/620104759.db2.gz APFVTZRKWJXNNE-UHFFFAOYSA-N 1 1 272.377 3.319 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000796606249 620115370 /nfs/dbraw/zinc/11/53/70/620115370.db2.gz DJVTZUJJZFNTKZ-JKSUJKDBSA-N 1 1 269.429 3.227 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)CC2CCCC2)CC1 ZINC000985228270 620140669 /nfs/dbraw/zinc/14/06/69/620140669.db2.gz IHPIETBURUOISN-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC([N@@H+](C)CC(C)C)CC1 ZINC000985622031 620222288 /nfs/dbraw/zinc/22/22/88/620222288.db2.gz YGABACWYBUFRGD-QGZVFWFLSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC000985630314 620222919 /nfs/dbraw/zinc/22/29/19/620222919.db2.gz FYCFSLYIAUPUDM-UKRRQHHQSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)C(C)(C)CC)CC1 ZINC000985615629 620223032 /nfs/dbraw/zinc/22/30/32/620223032.db2.gz WNPMLOCEOVMHBL-UHFFFAOYSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(Cl)cc1 ZINC000785997439 620393824 /nfs/dbraw/zinc/39/38/24/620393824.db2.gz OMHOHRPOJSXDLX-GJZGRUSLSA-N 1 1 265.784 3.414 20 30 CGEDMO CC(C)(CCC#N)C[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000897591273 620405626 /nfs/dbraw/zinc/40/56/26/620405626.db2.gz JNUNUOMTMODWQI-KRWDZBQOSA-N 1 1 297.402 3.262 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000897591273 620405629 /nfs/dbraw/zinc/40/56/29/620405629.db2.gz JNUNUOMTMODWQI-KRWDZBQOSA-N 1 1 297.402 3.262 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cs1)CC1CCSCC1 ZINC000897624396 620411812 /nfs/dbraw/zinc/41/18/12/620411812.db2.gz JJBHJWGVJGUCFR-UHFFFAOYSA-N 1 1 266.435 3.195 20 30 CGEDMO N#Cc1csc(C[NH2+]Cc2ccc(OCC3CC3)cc2)n1 ZINC000897628543 620413845 /nfs/dbraw/zinc/41/38/45/620413845.db2.gz JTEQDFPGJUEFMF-UHFFFAOYSA-N 1 1 299.399 3.093 20 30 CGEDMO N#Cc1csc(C[NH2+][C@@H]2CCCNc3ccccc32)n1 ZINC000897629593 620414534 /nfs/dbraw/zinc/41/45/34/620414534.db2.gz MIDYLMBNPAKMSF-CQSZACIVSA-N 1 1 284.388 3.051 20 30 CGEDMO C=CC[N@H+]1CCCN(C(=O)C2(C3CCCCC3)CC2)CC1 ZINC000989562285 620517488 /nfs/dbraw/zinc/51/74/88/620517488.db2.gz DWLIYAVEDAEQEX-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000989604240 620518526 /nfs/dbraw/zinc/51/85/26/620518526.db2.gz VISRQSSEQANCQG-UHFFFAOYSA-N 1 1 298.839 3.126 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000989604240 620518533 /nfs/dbraw/zinc/51/85/33/620518533.db2.gz VISRQSSEQANCQG-UHFFFAOYSA-N 1 1 298.839 3.126 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)C[C@H]2CCCCC2(C)C)CC1 ZINC000989808558 620525614 /nfs/dbraw/zinc/52/56/14/620525614.db2.gz MTXLVLKMHQZMQQ-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO CC1(C)C[NH2+]CC[C@@H](NCc2ccc(C#N)c(Cl)c2)C1 ZINC000902385456 621300425 /nfs/dbraw/zinc/30/04/25/621300425.db2.gz VLMJSEKXFPOROA-CQSZACIVSA-N 1 1 291.826 3.079 20 30 CGEDMO Cc1cc(Cl)cc(C#N)c1OCCCc1c[nH+]cn1C ZINC000902446761 621328765 /nfs/dbraw/zinc/32/87/65/621328765.db2.gz WOPSBPBGLKRDQA-UHFFFAOYSA-N 1 1 289.766 3.265 20 30 CGEDMO C[C@H]([NH2+][C@H]1CCOc2c(F)cccc21)c1cc(C#N)ccn1 ZINC000902965927 621501012 /nfs/dbraw/zinc/50/10/12/621501012.db2.gz AMQBEAYXGQMKMA-NHYWBVRUSA-N 1 1 297.333 3.267 20 30 CGEDMO CC[C@H]([NH2+]Cc1ncccc1OC)c1cccc(C#N)c1 ZINC000903014306 621535392 /nfs/dbraw/zinc/53/53/92/621535392.db2.gz QKKHBJVAGXNXDN-HNNXBMFYSA-N 1 1 281.359 3.203 20 30 CGEDMO C[C@H](N[C@H]1CC[N@H+](C2CCCCC2)C1)c1cc(C#N)ccn1 ZINC000903053201 621556821 /nfs/dbraw/zinc/55/68/21/621556821.db2.gz NISFCPPCLOPOJH-HOCLYGCPSA-N 1 1 298.434 3.011 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CCCC1)c1ccc2c(c1)OCCO2 ZINC000903107926 621581425 /nfs/dbraw/zinc/58/14/25/621581425.db2.gz IHZOTVNKZJMVJR-ZDUSSCGKSA-N 1 1 286.375 3.192 20 30 CGEDMO N#CC1(C[NH2+][C@@H]2CCCc3c(O)cccc32)CCCC1 ZINC000903110030 621583616 /nfs/dbraw/zinc/58/36/16/621583616.db2.gz ZCQQHZJNFGEZIE-OAHLLOKOSA-N 1 1 270.376 3.443 20 30 CGEDMO CC(C)[C@H]([NH2+]CC1(C#N)CCCC1)c1ccccn1 ZINC000903110009 621584180 /nfs/dbraw/zinc/58/41/80/621584180.db2.gz YOSQUTODASDYKN-HNNXBMFYSA-N 1 1 257.381 3.452 20 30 CGEDMO C=CC[C@@H]1CC[C@@H](N[C@@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000903376163 621721039 /nfs/dbraw/zinc/72/10/39/621721039.db2.gz AOXOOKWVMSTGGI-NXHRZFHOSA-N 1 1 287.451 3.409 20 30 CGEDMO C=CC[N@@H+](Cc1ccc2cc[nH]c2c1)[C@@H](C)COC ZINC000903463994 621753473 /nfs/dbraw/zinc/75/34/73/621753473.db2.gz VQHKKNHCUDATFX-ZDUSSCGKSA-N 1 1 258.365 3.191 20 30 CGEDMO C[NH2+]CCC1CCN(Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000903447620 621759243 /nfs/dbraw/zinc/75/92/43/621759243.db2.gz ZRWWCROOQSOXAU-UHFFFAOYSA-N 1 1 291.826 3.033 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccc(F)c(OC)c2)no1 ZINC000904548517 621933590 /nfs/dbraw/zinc/93/35/90/621933590.db2.gz MACINUPYSZBREU-GFCCVEGCSA-N 1 1 291.326 3.240 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(-c2cc(C)oc2C)no1 ZINC000904695630 621959934 /nfs/dbraw/zinc/95/99/34/621959934.db2.gz RRQSYYLTDCRQHU-LBPRGKRZSA-N 1 1 261.325 3.303 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc([C@H]2CCC(F)(F)C2)no1 ZINC000904713294 621960868 /nfs/dbraw/zinc/96/08/68/621960868.db2.gz TVFIDKMLJYSSDN-UWVGGRQHSA-N 1 1 271.311 3.329 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2cccc(SC)n2)no1 ZINC000904732295 621967573 /nfs/dbraw/zinc/96/75/73/621967573.db2.gz HLKVGFIWFRPHME-SNVBAGLBSA-N 1 1 290.392 3.210 20 30 CGEDMO Brc1cnn([NH+]=C2C[C@H]3CCC[C@H]3C2)c1 ZINC000905456991 622078062 /nfs/dbraw/zinc/07/80/62/622078062.db2.gz QGRZZGVXASSUQK-DTORHVGOSA-N 1 1 268.158 3.060 20 30 CGEDMO CC(C)[C@@H]1[N@@H+](C[C@H](O)CC2(C#N)CCC2)CC12CC=CC2 ZINC000905961634 622133248 /nfs/dbraw/zinc/13/32/48/622133248.db2.gz SPDKAVVVPOJKKC-CVEARBPZSA-N 1 1 288.435 3.108 20 30 CGEDMO C#CC[N@@H+](CC(=O)Nc1ccc(C)cc1C)C1CCCC1 ZINC000155910409 622530053 /nfs/dbraw/zinc/53/00/53/622530053.db2.gz VTDHVOHRKYUYGD-UHFFFAOYSA-N 1 1 284.403 3.120 20 30 CGEDMO C#CC[N@H+](CC(=O)Nc1ccc(C)cc1C)C1CCCC1 ZINC000155910409 622530062 /nfs/dbraw/zinc/53/00/62/622530062.db2.gz VTDHVOHRKYUYGD-UHFFFAOYSA-N 1 1 284.403 3.120 20 30 CGEDMO CC(=[NH+]NCC1CCCC1)c1cc(F)c(N)c(F)c1 ZINC000814933336 625575013 /nfs/dbraw/zinc/57/50/13/625575013.db2.gz LIXJEKVZARTSNU-UHFFFAOYSA-N 1 1 267.323 3.051 20 30 CGEDMO Cc1ccc(C[N@@H+](CCC#N)CC(C)(C)C)c(O)c1 ZINC000876691479 622823196 /nfs/dbraw/zinc/82/31/96/622823196.db2.gz KWDATXKTENGUIK-UHFFFAOYSA-N 1 1 260.381 3.462 20 30 CGEDMO CCCCCCC[N@@H+](CCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000158053832 622994288 /nfs/dbraw/zinc/99/42/88/622994288.db2.gz NNJSIHGQUJEYJN-OAHLLOKOSA-N 1 1 289.485 3.246 20 30 CGEDMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1cncc(C#N)c1 ZINC000929676283 623503598 /nfs/dbraw/zinc/50/35/98/623503598.db2.gz MZPBESAZWPUPRP-DYVFJYSZSA-N 1 1 295.361 3.470 20 30 CGEDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cncc(C#N)c1 ZINC000929717863 623525917 /nfs/dbraw/zinc/52/59/17/623525917.db2.gz JWVUGHXEMCQPNI-UHOFOFEASA-N 1 1 255.365 3.106 20 30 CGEDMO N#CCC[N@H+](CC1CC1)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000929775033 623626605 /nfs/dbraw/zinc/62/66/05/623626605.db2.gz HMHBIWPIPDTXMR-CHWSQXEVSA-N 1 1 290.329 3.112 20 30 CGEDMO N#CCC[N@@H+](CC1CC1)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000929775033 623626610 /nfs/dbraw/zinc/62/66/10/623626610.db2.gz HMHBIWPIPDTXMR-CHWSQXEVSA-N 1 1 290.329 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2cscc2C)[C@H]1C ZINC000993198948 623944631 /nfs/dbraw/zinc/94/46/31/623944631.db2.gz FWZHCUYPJWCVPU-UKRRQHHQSA-N 1 1 292.448 3.215 20 30 CGEDMO CCCCCCCC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000915634191 624014611 /nfs/dbraw/zinc/01/46/11/624014611.db2.gz UMSGLJNNTMSWRI-HUUCEWRRSA-N 1 1 266.429 3.090 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CCC[N@H+](CCC)[C@@H]2C)CC1 ZINC000993771889 624062688 /nfs/dbraw/zinc/06/26/88/624062688.db2.gz HTWCCDSKONZQGQ-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@H+](CC(=O)N(CC)C1CCCCC1)C(C)C ZINC000917071879 624234037 /nfs/dbraw/zinc/23/40/37/624234037.db2.gz ZYSOZYADVUTKRA-UHFFFAOYSA-N 1 1 266.429 3.064 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C(C)C ZINC000917167122 624248956 /nfs/dbraw/zinc/24/89/56/624248956.db2.gz URGZZRPPJVHPRC-UHFFFAOYSA-N 1 1 291.782 3.047 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C(C)C ZINC000917167122 624248960 /nfs/dbraw/zinc/24/89/60/624248960.db2.gz URGZZRPPJVHPRC-UHFFFAOYSA-N 1 1 291.782 3.047 20 30 CGEDMO Cc1[nH+]c(C=NN[C@@H](C)c2ccccc2)c2ccccn12 ZINC000920383888 624485660 /nfs/dbraw/zinc/48/56/60/624485660.db2.gz ZRYKTZCMIXCLHT-ZDUSSCGKSA-N 1 1 278.359 3.327 20 30 CGEDMO C=CCc1cc(OCC)cc(C[N@H+](C)CCC)c1O ZINC000069062100 624788074 /nfs/dbraw/zinc/78/80/74/624788074.db2.gz VYNVMHWWESBROU-UHFFFAOYSA-N 1 1 263.381 3.361 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC=CCC2)CC1 ZINC000997917511 625769307 /nfs/dbraw/zinc/76/93/07/625769307.db2.gz WOPBYESRAUDWOP-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CCC2(C)C)CC1 ZINC000998095669 625787867 /nfs/dbraw/zinc/78/78/67/625787867.db2.gz STNRRTBWQORDJR-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2C)CC1 ZINC000998097262 625788334 /nfs/dbraw/zinc/78/83/34/625788334.db2.gz ZPYLROUXNNFZLH-BPLDGKMQSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C1CCC(C(=O)N(CC)[C@@H]2CCC[N@@H+](CC)CC2)CC1 ZINC000998108981 625790809 /nfs/dbraw/zinc/79/08/09/625790809.db2.gz HYAMXTSVMQNOKM-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@H]2CC=CCC2)CC1 ZINC001000435140 625871387 /nfs/dbraw/zinc/87/13/87/625871387.db2.gz WIAMADLKQULRMT-KRWDZBQOSA-N 1 1 288.435 3.057 20 30 CGEDMO CC(C)(F)C[NH2+]Cc1cc(C#N)ccc1Br ZINC000922299894 625994683 /nfs/dbraw/zinc/99/46/83/625994683.db2.gz HAAAULMUMNDWSI-UHFFFAOYSA-N 1 1 285.160 3.158 20 30 CGEDMO C=CCOc1ccc(C[NH2+][C@@H](c2ncccn2)C2CC2)cc1 ZINC000922580384 626014941 /nfs/dbraw/zinc/01/49/41/626014941.db2.gz CBHIUVJRRATPHA-QGZVFWFLSA-N 1 1 295.386 3.282 20 30 CGEDMO C[C@@H](COCC1CCCCC1)[NH2+]Cc1nc(C#N)cs1 ZINC000922602527 626018957 /nfs/dbraw/zinc/01/89/57/626018957.db2.gz LXLPJVYTYXUFIZ-LBPRGKRZSA-N 1 1 293.436 3.090 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCC2CC2)CC1 ZINC001004385213 626046559 /nfs/dbraw/zinc/04/65/59/626046559.db2.gz GYFCPVFBDVGUAK-QGZVFWFLSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)CC)CC1 ZINC001004522929 626064639 /nfs/dbraw/zinc/06/46/39/626064639.db2.gz MUMYVGVIEZHNGI-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@]2(C)C=CCC2)CC1 ZINC001005841283 626108181 /nfs/dbraw/zinc/10/81/81/626108181.db2.gz PZIBIYZPHHZAOD-INIZCTEOSA-N 1 1 296.842 3.018 20 30 CGEDMO CCC(CC)CNN=Cc1[nH+]c(C)n2ccccc12 ZINC000774477218 626177353 /nfs/dbraw/zinc/17/73/53/626177353.db2.gz JDCZZEIACVOAOD-UHFFFAOYSA-N 1 1 258.369 3.002 20 30 CGEDMO C=CCCCCCCNC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000838592171 626240100 /nfs/dbraw/zinc/24/01/00/626240100.db2.gz PTMUDOVCZGSHEF-INIZCTEOSA-N 1 1 295.471 3.154 20 30 CGEDMO C#CCOc1ccccc1C[NH+]1CC(CC(F)(F)F)C1 ZINC000839138563 626322711 /nfs/dbraw/zinc/32/27/11/626322711.db2.gz QXRHFNHRJVBFMD-UHFFFAOYSA-N 1 1 283.293 3.083 20 30 CGEDMO Cc1cc2ncn(C[N@H+](CCC#N)CC3CC3)c2cc1C ZINC000103459723 626348608 /nfs/dbraw/zinc/34/86/08/626348608.db2.gz KFQYRZJWDVJFSA-UHFFFAOYSA-N 1 1 282.391 3.236 20 30 CGEDMO Cc1cc2ncn(C[N@@H+](CCC#N)CC3CC3)c2cc1C ZINC000103459723 626348609 /nfs/dbraw/zinc/34/86/09/626348609.db2.gz KFQYRZJWDVJFSA-UHFFFAOYSA-N 1 1 282.391 3.236 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1CC(=O)OC)C1CCCCC1 ZINC000751965383 626413524 /nfs/dbraw/zinc/41/35/24/626413524.db2.gz MKBVKFADFDUCBH-UHFFFAOYSA-N 1 1 299.414 3.170 20 30 CGEDMO C[C@@H]1C[N@@H+](C)CC1N=Nc1ccccc1C(F)(F)F ZINC000752158481 626420448 /nfs/dbraw/zinc/42/04/48/626420448.db2.gz ZFMMRVHCCPNPPD-SECBINFHSA-N 1 1 271.286 3.055 20 30 CGEDMO CC[C@H]1CCCC(=[NH+]n2cc(Br)cn2)C1 ZINC000752742590 626436259 /nfs/dbraw/zinc/43/62/59/626436259.db2.gz HVGNUMVPKXBHAG-VIFPVBQESA-N 1 1 270.174 3.450 20 30 CGEDMO C#CC[N@@H+](Cc1cc(-n2ccnc2)cs1)C1CCCC1 ZINC000753543936 626454594 /nfs/dbraw/zinc/45/45/94/626454594.db2.gz FUFFLKJCMVXIAO-UHFFFAOYSA-N 1 1 285.416 3.312 20 30 CGEDMO C#CC[NH2+][C@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC000753915819 626468920 /nfs/dbraw/zinc/46/89/20/626468920.db2.gz XGAWHUHMASJERX-MRXNPFEDSA-N 1 1 292.373 3.103 20 30 CGEDMO Cc1ccc(NCc2ccc(C#N)cc2F)c(N(C)C)[nH+]1 ZINC000754064135 626473893 /nfs/dbraw/zinc/47/38/93/626473893.db2.gz LXQPHQMVTFVMMP-UHFFFAOYSA-N 1 1 284.338 3.079 20 30 CGEDMO CC(C)[N@@H+]1CC(N=Nc2c(F)cccc2F)[C@@H](C)C1 ZINC000754258074 626565433 /nfs/dbraw/zinc/56/54/33/626565433.db2.gz HANTTYSDHGQSSE-JTQLQIEISA-N 1 1 267.323 3.093 20 30 CGEDMO C=CCCCCCCNC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000805070544 626586566 /nfs/dbraw/zinc/58/65/66/626586566.db2.gz KUVBKMKMXQQQEW-HOTGVXAUSA-N 1 1 293.455 3.049 20 30 CGEDMO C=CC[N@H+](Cc1ccc([N+](=O)[O-])c(OCC)c1)C(C)C ZINC000754989739 626595476 /nfs/dbraw/zinc/59/54/76/626595476.db2.gz IMOGEVHAJRBFGB-UHFFFAOYSA-N 1 1 278.352 3.390 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000755270263 626611518 /nfs/dbraw/zinc/61/15/18/626611518.db2.gz ITTUBCSMVJDZCR-RRFJBIMHSA-N 1 1 294.439 3.188 20 30 CGEDMO C#CCOc1ccccc1C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000756710127 626727178 /nfs/dbraw/zinc/72/71/78/626727178.db2.gz VCPDHSCUOUPYIV-CYBMUJFWSA-N 1 1 299.345 3.394 20 30 CGEDMO C#CC[N@H+](CCCOC(C)(C)C)Cc1ccc(F)cc1 ZINC000756807958 626733849 /nfs/dbraw/zinc/73/38/49/626733849.db2.gz BZPDCJZOYPMZEK-UHFFFAOYSA-N 1 1 277.383 3.466 20 30 CGEDMO C#CC[C@@H](Nc1nc(N2CCCC2)cc[nH+]1)c1ccccc1 ZINC000756957374 626743844 /nfs/dbraw/zinc/74/38/44/626743844.db2.gz ONMFKHDCRNFZRP-MRXNPFEDSA-N 1 1 292.386 3.253 20 30 CGEDMO C=C(CC)C[N@@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000839642262 626774434 /nfs/dbraw/zinc/77/44/34/626774434.db2.gz QMHDHFXVRXZVJH-CQSZACIVSA-N 1 1 298.224 3.381 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000757741136 626805725 /nfs/dbraw/zinc/80/57/25/626805725.db2.gz WPEDZQBNYYDWDM-UHFFFAOYSA-N 1 1 289.272 3.222 20 30 CGEDMO C=CC[N@H+](Cc1nc(=O)c2c(C)c(C)sc2[nH]1)C(C)C ZINC000760816751 626994344 /nfs/dbraw/zinc/99/43/44/626994344.db2.gz IUSOVDGOABYQQN-UHFFFAOYSA-N 1 1 291.420 3.410 20 30 CGEDMO C=CC[N@@H+](Cc1nc(=O)c2c(C)c(C)sc2[nH]1)C(C)C ZINC000760816751 626994346 /nfs/dbraw/zinc/99/43/46/626994346.db2.gz IUSOVDGOABYQQN-UHFFFAOYSA-N 1 1 291.420 3.410 20 30 CGEDMO C#CCC[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000760833505 626994855 /nfs/dbraw/zinc/99/48/55/626994855.db2.gz IBAYWMSDCXQCRR-UHFFFAOYSA-N 1 1 286.202 3.201 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000760848257 626996778 /nfs/dbraw/zinc/99/67/78/626996778.db2.gz VAPLBPLDMIDGDY-GFCCVEGCSA-N 1 1 284.186 3.470 20 30 CGEDMO N#CCC1CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000761533489 627048291 /nfs/dbraw/zinc/04/82/91/627048291.db2.gz QQOWSUZXVHQRLJ-UHFFFAOYSA-N 1 1 293.754 3.374 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1cc(C)cc(Br)c1O ZINC000762794474 627124212 /nfs/dbraw/zinc/12/42/12/627124212.db2.gz MAFYQLNFHRFKSD-NSHDSACASA-N 1 1 297.196 3.245 20 30 CGEDMO C=CC[N@@H+](Cn1nc(C)c2cc([N+](=O)[O-])ccc21)C(C)C ZINC000764898282 627232342 /nfs/dbraw/zinc/23/23/42/627232342.db2.gz BWHVHWLYMDOCTI-UHFFFAOYSA-N 1 1 288.351 3.107 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1cccnc1Cl ZINC000765015989 627236497 /nfs/dbraw/zinc/23/64/97/627236497.db2.gz UJNIHALFVKKBAD-NSHDSACASA-N 1 1 271.751 3.457 20 30 CGEDMO C#CCCC[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000766896295 627368241 /nfs/dbraw/zinc/36/82/41/627368241.db2.gz ZAVSWBVVMFMXQY-KRWDZBQOSA-N 1 1 257.377 3.081 20 30 CGEDMO C#CCCC[N@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000767496564 627411552 /nfs/dbraw/zinc/41/15/52/627411552.db2.gz PVJLJRLKSFGXMN-OAHLLOKOSA-N 1 1 280.375 3.022 20 30 CGEDMO C=C(C)C[N@@H+](CC)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000768140256 627462943 /nfs/dbraw/zinc/46/29/43/627462943.db2.gz LWFGCJVQGVDHCU-AWEZNQCLSA-N 1 1 282.428 3.284 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)o2)Cc2ccccc21 ZINC000768194802 627468236 /nfs/dbraw/zinc/46/82/36/627468236.db2.gz DTUBWDMZZXEQLS-GFCCVEGCSA-N 1 1 252.317 3.271 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)Cc2ccccc21 ZINC000768194802 627468238 /nfs/dbraw/zinc/46/82/38/627468238.db2.gz DTUBWDMZZXEQLS-GFCCVEGCSA-N 1 1 252.317 3.271 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+](CCC#N)C(C)C)cc1 ZINC000768766732 627497430 /nfs/dbraw/zinc/49/74/30/627497430.db2.gz ZUKSHBWWFQMSAO-UHFFFAOYSA-N 1 1 270.376 3.213 20 30 CGEDMO C#CCCOc1ccc(C[N@H+](CCC#N)C(C)C)cc1 ZINC000768766732 627497432 /nfs/dbraw/zinc/49/74/32/627497432.db2.gz ZUKSHBWWFQMSAO-UHFFFAOYSA-N 1 1 270.376 3.213 20 30 CGEDMO CC[C@H]1CCC[N@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000769011538 627517023 /nfs/dbraw/zinc/51/70/23/627517023.db2.gz XSFPUWDGAZFGFT-ZFWWWQNUSA-N 1 1 258.365 3.352 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)OCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000769139230 627524491 /nfs/dbraw/zinc/52/44/91/627524491.db2.gz MSNHATSBQQJBBX-AWEZNQCLSA-N 1 1 293.382 3.403 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCS[C@H](CC)C2)cc1 ZINC000769447719 627553868 /nfs/dbraw/zinc/55/38/68/627553868.db2.gz WJYMVOAMEQJKOU-MRXNPFEDSA-N 1 1 275.417 3.026 20 30 CGEDMO C#CC[N@@H+](CC#CC)Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000769450863 627554406 /nfs/dbraw/zinc/55/44/06/627554406.db2.gz BNUSNSZXBXKCCR-UHFFFAOYSA-N 1 1 297.789 3.189 20 30 CGEDMO C#CC[N@H+](CC#CC)Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000769450863 627554407 /nfs/dbraw/zinc/55/44/07/627554407.db2.gz BNUSNSZXBXKCCR-UHFFFAOYSA-N 1 1 297.789 3.189 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)CCOc1cc(Cl)ccc1Cl ZINC000769961999 627592975 /nfs/dbraw/zinc/59/29/75/627592975.db2.gz VLPPIJLXPVZBIT-JTQLQIEISA-N 1 1 272.175 3.326 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000769963622 627593260 /nfs/dbraw/zinc/59/32/60/627593260.db2.gz YALUVYFOBIIRGN-SECBINFHSA-N 1 1 270.145 3.042 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)CCOc1cccc2ccccc21 ZINC000769975277 627593703 /nfs/dbraw/zinc/59/37/03/627593703.db2.gz BZXQVHIGPDYLRU-AWEZNQCLSA-N 1 1 253.345 3.172 20 30 CGEDMO CC(C)CNN=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000771567143 627719871 /nfs/dbraw/zinc/71/98/71/627719871.db2.gz OFVQNXOPSIHNJU-HDICACEKSA-N 1 1 285.435 3.415 20 30 CGEDMO C=CC[N@H+](C)Cc1cc(C)cc(Br)c1 ZINC000775083476 628063415 /nfs/dbraw/zinc/06/34/15/628063415.db2.gz IRPSWJXUFCYMBY-UHFFFAOYSA-N 1 1 254.171 3.375 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(N(CC)CC)c(F)c1 ZINC000775185243 628069055 /nfs/dbraw/zinc/06/90/55/628069055.db2.gz ZQIYTOXLBRQEGW-CYBMUJFWSA-N 1 1 262.372 3.125 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000775182429 628070138 /nfs/dbraw/zinc/07/01/38/628070138.db2.gz FBONLNBRCUNYJM-VIFPVBQESA-N 1 1 259.246 3.298 20 30 CGEDMO C=C(C)CC[N@H+](C)Cc1ccn(-c2ccccc2)n1 ZINC000775570557 628107826 /nfs/dbraw/zinc/10/78/26/628107826.db2.gz MTYUJDFXUALJCS-UHFFFAOYSA-N 1 1 255.365 3.270 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000775577109 628110856 /nfs/dbraw/zinc/11/08/56/628110856.db2.gz JSWSTOFJYRQXSN-UHFFFAOYSA-N 1 1 274.408 3.174 20 30 CGEDMO CCCCCCCCC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000874847392 634631366 /nfs/dbraw/zinc/63/13/66/634631366.db2.gz NVPHCKKUDRHAMA-HZPDHXFCSA-N 1 1 280.456 3.432 20 30 CGEDMO N#CC1(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)CC1 ZINC000775977261 628154962 /nfs/dbraw/zinc/15/49/62/628154962.db2.gz YMTHAFXPNMNICW-LSDHHAIUSA-N 1 1 288.391 3.251 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCOCC3(CCCC3)C2)cc1 ZINC000776007814 628157195 /nfs/dbraw/zinc/15/71/95/628157195.db2.gz JZFOXOMJKLNVGQ-UHFFFAOYSA-N 1 1 299.414 3.091 20 30 CGEDMO C=CC[N@H+](Cc1nc2c(s1)CCCC2)C(C)C ZINC000776488057 628214243 /nfs/dbraw/zinc/21/42/43/628214243.db2.gz LNIBMXABLBRWHA-UHFFFAOYSA-N 1 1 250.411 3.418 20 30 CGEDMO C=CC[N@@H+](Cc1nc2c(s1)CCCC2)C(C)C ZINC000776488057 628214250 /nfs/dbraw/zinc/21/42/50/628214250.db2.gz LNIBMXABLBRWHA-UHFFFAOYSA-N 1 1 250.411 3.418 20 30 CGEDMO CC[N@@H+](CCc1ccccn1)Cc1ccc(C#N)cc1C ZINC000776802368 628232976 /nfs/dbraw/zinc/23/29/76/628232976.db2.gz MDKYGDCVLMBAEM-UHFFFAOYSA-N 1 1 279.387 3.326 20 30 CGEDMO CCCCCCC[N@@H+](CC)C[C@@H](O)C(F)(F)F ZINC000778201539 628333654 /nfs/dbraw/zinc/33/36/54/628333654.db2.gz LBHHOLVXSLXOGR-LLVKDONJSA-N 1 1 255.324 3.202 20 30 CGEDMO C[C@H]1CC[N@@H+](CCCOc2ccc(C#N)cc2)C[C@H]1F ZINC000778232246 628336347 /nfs/dbraw/zinc/33/63/47/628336347.db2.gz FHYRJGIDSUGOGC-XJKSGUPXSA-N 1 1 276.355 3.007 20 30 CGEDMO CCC#C[C@@H](C)[NH+]1CCC(O)(c2c(F)cccc2F)CC1 ZINC000778236832 628336476 /nfs/dbraw/zinc/33/64/76/628336476.db2.gz XQRAIPDMJQFSCN-CYBMUJFWSA-N 1 1 293.357 3.050 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@@H+](C)[C@@H]1CCSC1 ZINC000779154630 628391019 /nfs/dbraw/zinc/39/10/19/628391019.db2.gz YXTDEKLBNQJRKN-GFCCVEGCSA-N 1 1 295.835 3.289 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@H+](C)[C@@H]1CCSC1 ZINC000779154630 628391023 /nfs/dbraw/zinc/39/10/23/628391023.db2.gz YXTDEKLBNQJRKN-GFCCVEGCSA-N 1 1 295.835 3.289 20 30 CGEDMO CCCOc1ccc(C(C)=NNc2cc[nH+]cc2)cc1 ZINC000779807064 628432891 /nfs/dbraw/zinc/43/28/91/628432891.db2.gz MZIGRHNOINMBPS-UHFFFAOYSA-N 1 1 269.348 3.128 20 30 CGEDMO CCC(=NNc1cc[nH+]cc1)c1ccc2c(c1)CCCO2 ZINC000779809683 628433932 /nfs/dbraw/zinc/43/39/32/628433932.db2.gz SKTCRRSPQGDBRP-UHFFFAOYSA-N 1 1 281.359 3.055 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C[C@H]1CCc2ccccc21)C1CC1 ZINC000780302542 628480145 /nfs/dbraw/zinc/48/01/45/628480145.db2.gz QATJNNJNMNMPNU-DZGCQCFKSA-N 1 1 254.377 3.340 20 30 CGEDMO COc1cc(C)c(C[N@H+](CCC#N)CC(C)C)c(C)n1 ZINC000781895577 628602702 /nfs/dbraw/zinc/60/27/02/628602702.db2.gz VRYROEOTJNEXMK-UHFFFAOYSA-N 1 1 275.396 3.079 20 30 CGEDMO COc1cc(C)c(C[N@@H+](CCC#N)CC(C)C)c(C)n1 ZINC000781895577 628602705 /nfs/dbraw/zinc/60/27/05/628602705.db2.gz VRYROEOTJNEXMK-UHFFFAOYSA-N 1 1 275.396 3.079 20 30 CGEDMO CCCCCCCCCC[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782620055 628655990 /nfs/dbraw/zinc/65/59/90/628655990.db2.gz UCPLPURXLLGTNS-CVEARBPZSA-N 1 1 253.430 3.441 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000784016199 628766041 /nfs/dbraw/zinc/76/60/41/628766041.db2.gz SYTWUFZCDXPFIQ-GOSISDBHSA-N 1 1 284.403 3.397 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@H](N(C)c2ccc(C)cc2)C1 ZINC000784381704 628811345 /nfs/dbraw/zinc/81/13/45/628811345.db2.gz VCOBWMQGAJEAOL-SFHVURJKSA-N 1 1 270.420 3.309 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@@H](N(C)c2ccc(C)cc2)C1 ZINC000784381703 628811412 /nfs/dbraw/zinc/81/14/12/628811412.db2.gz VCOBWMQGAJEAOL-GOSISDBHSA-N 1 1 270.420 3.309 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000786435009 628932013 /nfs/dbraw/zinc/93/20/13/628932013.db2.gz BPYHDVNUBRGPBG-UHFFFAOYSA-N 1 1 260.381 3.256 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(OC(=O)C2CC2)c(OC)c1 ZINC000786578088 628949345 /nfs/dbraw/zinc/94/93/45/628949345.db2.gz GZQCWNQPNXSZEE-UHFFFAOYSA-N 1 1 289.375 3.019 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000805839659 629014291 /nfs/dbraw/zinc/01/42/91/629014291.db2.gz RUCKMNHLXPRSJW-AAEUAGOBSA-N 1 1 264.394 3.060 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000788000041 629038983 /nfs/dbraw/zinc/03/89/83/629038983.db2.gz QDKDWUHKKGPDFI-UHFFFAOYSA-N 1 1 283.371 3.253 20 30 CGEDMO N#CCC1(C[NH2+][C@H]2COCc3cccc(Cl)c32)CC1 ZINC000788798660 629082862 /nfs/dbraw/zinc/08/28/62/629082862.db2.gz AJNAFBZCPQRCBP-ZDUSSCGKSA-N 1 1 276.767 3.195 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(CC)cc2)n1 ZINC000789332376 629124609 /nfs/dbraw/zinc/12/46/09/629124609.db2.gz QQTQSYAEVSPEHJ-UHFFFAOYSA-N 1 1 281.403 3.101 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)Cc2ccc(CC)cc2)n1 ZINC000789332376 629124612 /nfs/dbraw/zinc/12/46/12/629124612.db2.gz QQTQSYAEVSPEHJ-UHFFFAOYSA-N 1 1 281.403 3.101 20 30 CGEDMO Fc1cccc(-c2ccc(C=NNc3cc[nH+]cc3)o2)c1F ZINC000790174549 629188729 /nfs/dbraw/zinc/18/87/29/629188729.db2.gz TVIMAXMQAFQYPR-UHFFFAOYSA-N 1 1 299.280 3.488 20 30 CGEDMO CC[C@@H](C)NN=C1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000790181975 629189891 /nfs/dbraw/zinc/18/98/91/629189891.db2.gz BALOQUFHYOOBEZ-LSDHHAIUSA-N 1 1 273.424 3.273 20 30 CGEDMO C=CC[C@H]([NH2+]Cc1oc(C)nc1C)c1ccncc1 ZINC000862281438 629338927 /nfs/dbraw/zinc/33/89/27/629338927.db2.gz YYFPUSMONOWDPJ-AWEZNQCLSA-N 1 1 257.337 3.093 20 30 CGEDMO C=C(C)C[N@@H+](CC(C)C)C[C@@H](O)c1ccc(F)cc1 ZINC000118855099 629341879 /nfs/dbraw/zinc/34/18/79/629341879.db2.gz ATSJTECSXDOOOV-MRXNPFEDSA-N 1 1 265.372 3.393 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)C[C@H](C)c2ccc(C)cc2)n1 ZINC000862351443 629347327 /nfs/dbraw/zinc/34/73/27/629347327.db2.gz LAOAKBOSKRMCLA-KRWDZBQOSA-N 1 1 295.430 3.450 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cc3cccc(OC)c3o2)C1 ZINC000862443269 629376632 /nfs/dbraw/zinc/37/66/32/629376632.db2.gz NHRWIWIRLQOKPH-ZDUSSCGKSA-N 1 1 269.344 3.287 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000862444108 629376817 /nfs/dbraw/zinc/37/68/17/629376817.db2.gz XTZIWVVXAMTZBR-LBPRGKRZSA-N 1 1 265.303 3.133 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OC)C1 ZINC000862443609 629377116 /nfs/dbraw/zinc/37/71/16/629377116.db2.gz QYLGRIXWSWJJNF-LBPRGKRZSA-N 1 1 263.768 3.194 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000862445035 629378239 /nfs/dbraw/zinc/37/82/39/629378239.db2.gz KAMQVGYJVGNWSU-ZDUSSCGKSA-N 1 1 283.400 3.050 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000862445048 629378253 /nfs/dbraw/zinc/37/82/53/629378253.db2.gz KTJHPXBAHYQGBH-CYBMUJFWSA-N 1 1 283.400 3.050 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc3c(cccc3C)[nH]2)C1 ZINC000862446813 629380167 /nfs/dbraw/zinc/38/01/67/629380167.db2.gz FNDREMRTLWWBAL-CQSZACIVSA-N 1 1 252.361 3.322 20 30 CGEDMO C#CC[C@H](CCOC)[NH2+][C@H](CCc1ccccc1)C(F)F ZINC000862547304 629398634 /nfs/dbraw/zinc/39/86/34/629398634.db2.gz AIFWPPXPQMUKRW-HZPDHXFCSA-N 1 1 295.373 3.271 20 30 CGEDMO CCOCCC[N@H+]1CCC(=NN[C@@H](C)C(C)(C)C)[C@H](C)C1 ZINC000793113242 629412411 /nfs/dbraw/zinc/41/24/11/629412411.db2.gz BSOAMRUHAPKJSP-CABCVRRESA-N 1 1 297.487 3.135 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)CC(C(C)C)C(C)C)n1 ZINC000793588377 629487199 /nfs/dbraw/zinc/48/71/99/629487199.db2.gz JCMDCRDEBSNDDK-UHFFFAOYSA-N 1 1 275.440 3.266 20 30 CGEDMO Cc1ccc(CO[NH+]=C(N)CCC(F)(F)F)cc1C#N ZINC000863491571 629589087 /nfs/dbraw/zinc/58/90/87/629589087.db2.gz SQBLAVPXHQFJGA-UHFFFAOYSA-N 1 1 285.269 3.208 20 30 CGEDMO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccon1 ZINC000795797703 629716884 /nfs/dbraw/zinc/71/68/84/629716884.db2.gz GNKXEWANRNJXEM-MRXNPFEDSA-N 1 1 267.332 3.104 20 30 CGEDMO C=C(Cl)C[NH+]1CCC([C@H](O)c2ccccc2C)CC1 ZINC000796404941 629776663 /nfs/dbraw/zinc/77/66/63/629776663.db2.gz DDVIDQQUMWMQIO-INIZCTEOSA-N 1 1 279.811 3.493 20 30 CGEDMO C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H]1CCC(C)(C)C1 ZINC000796530126 629795262 /nfs/dbraw/zinc/79/52/62/629795262.db2.gz GBMJYZGUTKVVRR-CVEARBPZSA-N 1 1 272.392 3.102 20 30 CGEDMO C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@H]1CCC(C)(C)C1 ZINC000796530127 629795722 /nfs/dbraw/zinc/79/57/22/629795722.db2.gz GBMJYZGUTKVVRR-HOTGVXAUSA-N 1 1 272.392 3.102 20 30 CGEDMO N#Cc1ccc([C@H](O)C[N@@H+](CC2CC2)CC2CCC2)cc1 ZINC000796582350 629803480 /nfs/dbraw/zinc/80/34/80/629803480.db2.gz WWPLRKSMGJBGGL-GOSISDBHSA-N 1 1 284.403 3.104 20 30 CGEDMO C#CC[N@@H+](Cc1sc(C)nc1C)Cc1ccccc1 ZINC000796630958 629807674 /nfs/dbraw/zinc/80/76/74/629807674.db2.gz ATQXBCMEDORLRJ-UHFFFAOYSA-N 1 1 270.401 3.395 20 30 CGEDMO C#CC[N@H+](Cc1sc(C)nc1C)Cc1ccccc1 ZINC000796630958 629807676 /nfs/dbraw/zinc/80/76/76/629807676.db2.gz ATQXBCMEDORLRJ-UHFFFAOYSA-N 1 1 270.401 3.395 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)Cc1ccc(OC)c(F)c1 ZINC000796639290 629809321 /nfs/dbraw/zinc/80/93/21/629809321.db2.gz AGHGRYXAIGIAAY-UHFFFAOYSA-N 1 1 283.346 3.470 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(OC)c(F)c1 ZINC000796639290 629809322 /nfs/dbraw/zinc/80/93/22/629809322.db2.gz AGHGRYXAIGIAAY-UHFFFAOYSA-N 1 1 283.346 3.470 20 30 CGEDMO COc1ccc(O)c(/C=N\C[C@@H]2c3ccccc3C[N@H+]2C)c1 ZINC000864348389 629817208 /nfs/dbraw/zinc/81/72/08/629817208.db2.gz KOQYFMTZLMGGQH-KLSKMWHSSA-N 1 1 296.370 3.006 20 30 CGEDMO COc1ccc(O)c(/C=N\C[C@@H]2c3ccccc3C[N@@H+]2C)c1 ZINC000864348389 629817211 /nfs/dbraw/zinc/81/72/11/629817211.db2.gz KOQYFMTZLMGGQH-KLSKMWHSSA-N 1 1 296.370 3.006 20 30 CGEDMO C=CCCC[N@H+](C)CCCN(C)C(=O)OC(C)(C)C ZINC000797964374 630009693 /nfs/dbraw/zinc/00/96/93/630009693.db2.gz IFUMXQMCRDFVDO-UHFFFAOYSA-N 1 1 270.417 3.141 20 30 CGEDMO COc1ccc2cc(C[N@@H+](C)CCO[C@H](C)C#N)ccc2c1 ZINC000801912071 630363998 /nfs/dbraw/zinc/36/39/98/630363998.db2.gz ZBGABKVODPOSEH-CQSZACIVSA-N 1 1 298.386 3.209 20 30 CGEDMO CCOc1ccc([C@@H]2CCC[N@H+]2CCO[C@@H](C)C#N)cc1 ZINC000801909949 630364138 /nfs/dbraw/zinc/36/41/38/630364138.db2.gz ISVMRBGNQFONAC-YOEHRIQHSA-N 1 1 288.391 3.151 20 30 CGEDMO CC[N@@H+](CCO[C@@H](C)C#N)Cc1cccc(Cl)c1 ZINC000801913957 630364672 /nfs/dbraw/zinc/36/46/72/630364672.db2.gz CUIYILYMYJYLEO-LBPRGKRZSA-N 1 1 266.772 3.091 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](C)C1CCC(C(C)(C)C)CC1 ZINC000801914327 630364772 /nfs/dbraw/zinc/36/47/72/630364772.db2.gz APMGVCSOHLZFSR-WLYUNCDWSA-N 1 1 266.429 3.452 20 30 CGEDMO Cc1ccc([C@@H]2CCCC[N@@H+]2CCO[C@H](C)C#N)cc1 ZINC000801922647 630366649 /nfs/dbraw/zinc/36/66/49/630366649.db2.gz MUHWBFCVYZENCT-WBVHZDCISA-N 1 1 272.392 3.451 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000801923270 630367248 /nfs/dbraw/zinc/36/72/48/630367248.db2.gz CONJYLOBQDCVRL-UXLLHSPISA-N 1 1 272.392 3.041 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000801924496 630367424 /nfs/dbraw/zinc/36/74/24/630367424.db2.gz PUXIAZHTXUYSIL-WOSRLPQWSA-N 1 1 276.355 3.137 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000801924300 630367602 /nfs/dbraw/zinc/36/76/02/630367602.db2.gz MLPUSIPRJXNCRF-SMDDNHRTSA-N 1 1 264.756 3.015 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000801924300 630367604 /nfs/dbraw/zinc/36/76/04/630367604.db2.gz MLPUSIPRJXNCRF-SMDDNHRTSA-N 1 1 264.756 3.015 20 30 CGEDMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2CCO[C@H](C)C#N)c1 ZINC000801938815 630371313 /nfs/dbraw/zinc/37/13/13/630371313.db2.gz MCMQEHNNVKXDTJ-VBQJREDUSA-N 1 1 288.391 3.007 20 30 CGEDMO CC[N@@H+](C[C@H](O)CC#N)[C@@H](C)c1cc2ccccc2o1 ZINC000809572000 630751628 /nfs/dbraw/zinc/75/16/28/630751628.db2.gz GKXBNNHDSAWEPM-GXTWGEPZSA-N 1 1 272.348 3.090 20 30 CGEDMO CCc1ccc([C@H]2CCCCC[N@H+]2C[C@H](O)CC#N)o1 ZINC000809574372 630752416 /nfs/dbraw/zinc/75/24/16/630752416.db2.gz JXZPHWRZRXGTLG-UKRRQHHQSA-N 1 1 276.380 3.034 20 30 CGEDMO N#CC[C@@H](O)C[N@H+]1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000809577009 630753140 /nfs/dbraw/zinc/75/31/40/630753140.db2.gz IZAOCXQDLYGOFQ-NDZBKKTDSA-N 1 1 284.403 3.219 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCS[C@H](C(C)C)C2)cc1 ZINC000809592038 630756935 /nfs/dbraw/zinc/75/69/35/630756935.db2.gz LPJYLRORHCSRKC-INIZCTEOSA-N 1 1 259.418 3.241 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCCC[C@@H](CCOC)C2)cc1 ZINC000809641781 630771555 /nfs/dbraw/zinc/77/15/55/630771555.db2.gz RSVBLWQENNFVHE-KRWDZBQOSA-N 1 1 271.404 3.307 20 30 CGEDMO CC(C)(C#N)C[NH2+][C@H]1CSCCc2ccccc21 ZINC000809639635 630771819 /nfs/dbraw/zinc/77/18/19/630771819.db2.gz MPMAESWQBDURMM-AWEZNQCLSA-N 1 1 260.406 3.156 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)cc1 ZINC000809645166 630772929 /nfs/dbraw/zinc/77/29/29/630772929.db2.gz RMYGROKWVLEAIT-GOSISDBHSA-N 1 1 269.388 3.059 20 30 CGEDMO C#Cc1ccc(C[N@H+](Cc2ccccc2)[C@@H](CC)CO)cc1 ZINC000809643056 630773348 /nfs/dbraw/zinc/77/33/48/630773348.db2.gz LWVOMDZPTQZNMD-FQEVSTJZSA-N 1 1 293.410 3.441 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@]2(CO)CC(C)C)cc1 ZINC000809650989 630774572 /nfs/dbraw/zinc/77/45/72/630774572.db2.gz CWTADCVYFTXPHT-SFHVURJKSA-N 1 1 271.404 3.041 20 30 CGEDMO C#CC[N@@H+](Cc1cc(C(C)(C)C)on1)C1CCCC1 ZINC000809954064 630819297 /nfs/dbraw/zinc/81/92/97/630819297.db2.gz PKLDKRVQQKZFEC-UHFFFAOYSA-N 1 1 260.381 3.350 20 30 CGEDMO C#CC[N@H+](Cc1cc(C(C)(C)C)on1)C1CCCC1 ZINC000809954064 630819300 /nfs/dbraw/zinc/81/93/00/630819300.db2.gz PKLDKRVQQKZFEC-UHFFFAOYSA-N 1 1 260.381 3.350 20 30 CGEDMO C[C@@H]1C[C@@H]([NH2+]Cc2nc(C#N)cs2)c2ccccc21 ZINC000810144348 630845968 /nfs/dbraw/zinc/84/59/68/630845968.db2.gz WQGLZSRCMWURIC-QMTHXVAHSA-N 1 1 269.373 3.353 20 30 CGEDMO C=CC[N@H+](C)C[C@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000811491369 631074600 /nfs/dbraw/zinc/07/46/00/631074600.db2.gz IYXBKVKCSFCWDT-ZDUSSCGKSA-N 1 1 270.417 3.044 20 30 CGEDMO C[C@H]1C(N=Nc2ccccn2)CC[N@H+]1Cc1ccccc1 ZINC000811632055 631094387 /nfs/dbraw/zinc/09/43/87/631094387.db2.gz XMQDDQZOQTXBMK-AWEZNQCLSA-N 1 1 280.375 3.144 20 30 CGEDMO C=C(C)CNN=C1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000811651542 631099114 /nfs/dbraw/zinc/09/91/14/631099114.db2.gz CKKDXWXALMEWCH-HNNXBMFYSA-N 1 1 271.408 3.050 20 30 CGEDMO C=C(C)CNN=C1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000811651542 631099117 /nfs/dbraw/zinc/09/91/17/631099117.db2.gz CKKDXWXALMEWCH-HNNXBMFYSA-N 1 1 271.408 3.050 20 30 CGEDMO CC(C)OCCON=C1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000812239454 631229344 /nfs/dbraw/zinc/22/93/44/631229344.db2.gz UNHCYEZWQIWATI-OAHLLOKOSA-N 1 1 290.407 3.078 20 30 CGEDMO CC[N@@H+](CCC(C)(C)C#N)[C@H](C)[C@H](O)c1ccccc1 ZINC000812852987 631326170 /nfs/dbraw/zinc/32/61/70/631326170.db2.gz MGEQHGXOAYGIHH-ZBFHGGJFSA-N 1 1 274.408 3.370 20 30 CGEDMO CC[N@@H+](CCC(C)(C)C#N)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812852984 631326423 /nfs/dbraw/zinc/32/64/23/631326423.db2.gz MGEQHGXOAYGIHH-GDBMZVCRSA-N 1 1 274.408 3.370 20 30 CGEDMO c1cncc(CO[NH+]=C2CC[C@@H]3CNc4cccc2c43)c1 ZINC000814883958 631664035 /nfs/dbraw/zinc/66/40/35/631664035.db2.gz JQENKJFJZUPFCE-CYBMUJFWSA-N 1 1 279.343 3.305 20 30 CGEDMO N#C[C@H]1CC[C@@H]([N@@H+]2Cc3ccc(Br)cc3C2)C1 ZINC000815092679 631715244 /nfs/dbraw/zinc/71/52/44/631715244.db2.gz OAOCHXVAPIPXSF-IINYFYTJSA-N 1 1 291.192 3.457 20 30 CGEDMO N#C[C@H]1CC[C@@H]([N@H+]2Cc3ccc(Br)cc3C2)C1 ZINC000815092679 631715250 /nfs/dbraw/zinc/71/52/50/631715250.db2.gz OAOCHXVAPIPXSF-IINYFYTJSA-N 1 1 291.192 3.457 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccc2ccccc2c1O ZINC000816590975 632019636 /nfs/dbraw/zinc/01/96/36/632019636.db2.gz QFBFBLAKEBOUFY-UHFFFAOYSA-N 1 1 271.360 3.180 20 30 CGEDMO CCOCOc1ccc(C[N@H+](C)CC(C)(C)C#N)cc1 ZINC000816633030 632027807 /nfs/dbraw/zinc/02/78/07/632027807.db2.gz KJFZFUAMGJGJBD-UHFFFAOYSA-N 1 1 276.380 3.041 20 30 CGEDMO CCOCOc1ccc(C[N@@H+](C)CC(C)(C)C#N)cc1 ZINC000816633030 632027813 /nfs/dbraw/zinc/02/78/13/632027813.db2.gz KJFZFUAMGJGJBD-UHFFFAOYSA-N 1 1 276.380 3.041 20 30 CGEDMO C=CC[C@@H](C)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000879210227 635726674 /nfs/dbraw/zinc/72/66/74/635726674.db2.gz WVQXTZBLSKORSA-OAHLLOKOSA-N 1 1 250.430 3.291 20 30 CGEDMO Cc1ccc([C@@H](O)C[N@@H+](C)CCc2cccc(C#N)c2)cc1 ZINC000879434360 635786477 /nfs/dbraw/zinc/78/64/77/635786477.db2.gz QIIYEXLBAKRAKA-IBGZPJMESA-N 1 1 294.398 3.075 20 30 CGEDMO Cc1cnc([C@H](C)[N@@H+](C)CCc2cccc(C#N)c2)o1 ZINC000879432834 635787292 /nfs/dbraw/zinc/78/72/92/635787292.db2.gz ITEVIHMGYOOUSQ-ZDUSSCGKSA-N 1 1 269.348 3.090 20 30 CGEDMO N#CC1(C[NH2+]C[C@H](O)c2ccccc2C(F)(F)F)CCC1 ZINC000819378206 632444280 /nfs/dbraw/zinc/44/42/80/632444280.db2.gz WWFXMVXJTRYBSY-ZDUSSCGKSA-N 1 1 298.308 3.022 20 30 CGEDMO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccccn1 ZINC000866214730 633031731 /nfs/dbraw/zinc/03/17/31/633031731.db2.gz QURLRVDBWIXBJD-NWDGAFQWSA-N 1 1 267.332 3.071 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1F)C[C@@](C)(O)c1ccccc1 ZINC000823607065 633126373 /nfs/dbraw/zinc/12/63/73/633126373.db2.gz YDPGXHVWVJGWAI-GOSISDBHSA-N 1 1 298.361 3.037 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@](C)(F)C2)cc1 ZINC000824471722 633248940 /nfs/dbraw/zinc/24/89/40/633248940.db2.gz GSUZVMRUHLFNIR-CJNGLKHVSA-N 1 1 276.355 3.301 20 30 CGEDMO CCCCCCCCNC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000868439863 633324050 /nfs/dbraw/zinc/32/40/50/633324050.db2.gz YHKFVDGPGSAEGS-HZPDHXFCSA-N 1 1 295.471 3.083 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CCCCC1 ZINC000827247909 633474880 /nfs/dbraw/zinc/47/48/80/633474880.db2.gz YWAGWAWLVBZCEB-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)cc1 ZINC000827377405 633486892 /nfs/dbraw/zinc/48/68/92/633486892.db2.gz XNIZONZCMRVHAB-RBUKOAKNSA-N 1 1 283.415 3.449 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)cc1 ZINC000827377403 633487415 /nfs/dbraw/zinc/48/74/15/633487415.db2.gz XNIZONZCMRVHAB-MOPGFXCFSA-N 1 1 283.415 3.449 20 30 CGEDMO CCCCC(N)=[NH+]OCc1nc(-c2cccc(C)c2)no1 ZINC000123394837 633668969 /nfs/dbraw/zinc/66/89/69/633668969.db2.gz WMCVDKNFSDMKNP-UHFFFAOYSA-N 1 1 288.351 3.024 20 30 CGEDMO CCCCCCCC[N@@H+](C)CC(C)(C)S(C)(=O)=O ZINC000123526555 633731356 /nfs/dbraw/zinc/73/13/56/633731356.db2.gz AOMNWWABEMEQHD-UHFFFAOYSA-N 1 1 277.474 3.102 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc(C)ccc2OC)C1 ZINC000829773264 633780546 /nfs/dbraw/zinc/78/05/46/633780546.db2.gz BNTSVPWWYIGYIE-OAHLLOKOSA-N 1 1 257.377 3.239 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](CC(=O)c2cc(C)n(C3CC3)c2C)C1 ZINC000829773556 633781164 /nfs/dbraw/zinc/78/11/64/633781164.db2.gz FUMHPKNSWMZICU-MRXNPFEDSA-N 1 1 298.430 3.358 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC000829788929 633783728 /nfs/dbraw/zinc/78/37/28/633783728.db2.gz JWVYHAANOSTRCP-OAHLLOKOSA-N 1 1 271.408 3.234 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](CCCCCn2cc(C)cn2)C1 ZINC000829785835 633783906 /nfs/dbraw/zinc/78/39/06/633783906.db2.gz ZHXQRFHUPYPGRL-KRWDZBQOSA-N 1 1 273.424 3.097 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](CCCOCc2ccccc2)C1 ZINC000829809810 633792484 /nfs/dbraw/zinc/79/24/84/633792484.db2.gz IDAHKJBKZDZVQU-QGZVFWFLSA-N 1 1 271.404 3.329 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000829814996 633795944 /nfs/dbraw/zinc/79/59/44/633795944.db2.gz DGZYYNPNDVSNCH-VXGBXAGGSA-N 1 1 260.208 3.306 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H]1c1nc2cc(C)ccc2[nH]1 ZINC000829863929 633803801 /nfs/dbraw/zinc/80/38/01/633803801.db2.gz GAKLVSYIWBGTHR-HNNXBMFYSA-N 1 1 253.349 3.032 20 30 CGEDMO C#CCC[N@H+]1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000829863929 633803805 /nfs/dbraw/zinc/80/38/05/633803805.db2.gz GAKLVSYIWBGTHR-HNNXBMFYSA-N 1 1 253.349 3.032 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000829863929 633803807 /nfs/dbraw/zinc/80/38/07/633803807.db2.gz GAKLVSYIWBGTHR-HNNXBMFYSA-N 1 1 253.349 3.032 20 30 CGEDMO CCCCCCCC[N@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000830817989 633890705 /nfs/dbraw/zinc/89/07/05/633890705.db2.gz JZPAMVOUEZNJGO-BRWVUGGUSA-N 1 1 283.456 3.209 20 30 CGEDMO CC(C)(C)Oc1cccc(C[NH2+]C[C@@H](C#N)CCC#N)c1 ZINC000871933390 633919464 /nfs/dbraw/zinc/91/94/64/633919464.db2.gz NOEXOXRRCFMFNC-OAHLLOKOSA-N 1 1 285.391 3.397 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000832278118 634041807 /nfs/dbraw/zinc/04/18/07/634041807.db2.gz PZMCMULVGBQZCU-BBRMVZONSA-N 1 1 298.390 3.019 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000832278118 634041818 /nfs/dbraw/zinc/04/18/18/634041818.db2.gz PZMCMULVGBQZCU-BBRMVZONSA-N 1 1 298.390 3.019 20 30 CGEDMO N#CCCCC[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872278422 634098415 /nfs/dbraw/zinc/09/84/15/634098415.db2.gz PVGVUUAEQWDJHP-HNNXBMFYSA-N 1 1 250.386 3.104 20 30 CGEDMO CCNc1ccccc1C=[NH+]OCCC(F)(F)F ZINC000872365815 634119796 /nfs/dbraw/zinc/11/97/96/634119796.db2.gz GTGUJAMDAQLSJW-UHFFFAOYSA-N 1 1 260.259 3.421 20 30 CGEDMO FC1(F)CC1=CNNc1[nH+]cc(Cl)cc1Cl ZINC000834926457 634288871 /nfs/dbraw/zinc/28/88/71/634288871.db2.gz NDKVRJHNWURHRQ-YFKPBYRVSA-N 1 1 266.078 3.441 20 30 CGEDMO C#CCON=C1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]12 ZINC000834980122 634303063 /nfs/dbraw/zinc/30/30/63/634303063.db2.gz VOACPDZKJRRWMX-WMZOPIPTSA-N 1 1 282.387 3.067 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@@H](N2CCCC2)C1 ZINC000876619947 634870272 /nfs/dbraw/zinc/87/02/72/634870272.db2.gz HAHGQIPSAASQGN-QGZVFWFLSA-N 1 1 262.441 3.130 20 30 CGEDMO C#CCCCCCC[N@H+]1CCC[C@@H](N2CCCC2)C1 ZINC000876619947 634870277 /nfs/dbraw/zinc/87/02/77/634870277.db2.gz HAHGQIPSAASQGN-QGZVFWFLSA-N 1 1 262.441 3.130 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccc(Cl)nn1 ZINC000876639935 634873322 /nfs/dbraw/zinc/87/33/22/634873322.db2.gz WKOONXYSTBPEDU-UHFFFAOYSA-N 1 1 287.794 3.361 20 30 CGEDMO C#CC[N@H+](Cc1cc2c(cc[nH]c2=O)o1)C1CCCCC1 ZINC000876643036 634874378 /nfs/dbraw/zinc/87/43/78/634874378.db2.gz RUDJOIPMQHPYBI-UHFFFAOYSA-N 1 1 284.359 3.301 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C#CC2CC2)cc1 ZINC000837348027 634892796 /nfs/dbraw/zinc/89/27/96/634892796.db2.gz JJVQMWAGKDRSTD-OAHLLOKOSA-N 1 1 296.414 3.413 20 30 CGEDMO C[C@H]1CC2(CCC2)C[N@@H+]1Cc1cc(C#N)cnc1Cl ZINC000877477875 635052364 /nfs/dbraw/zinc/05/23/64/635052364.db2.gz JEVDQXBWNPRHGU-NSHDSACASA-N 1 1 275.783 3.371 20 30 CGEDMO C[C@H]1CC2(CCC2)C[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000877477875 635052368 /nfs/dbraw/zinc/05/23/68/635052368.db2.gz JEVDQXBWNPRHGU-NSHDSACASA-N 1 1 275.783 3.371 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000877481160 635053913 /nfs/dbraw/zinc/05/39/13/635053913.db2.gz WUWYJXKHAMXUMO-MRXNPFEDSA-N 1 1 273.424 3.183 20 30 CGEDMO C#CCOc1ccc([C@@H](C)[NH2+]Cc2csc(C)n2)cc1 ZINC000126570606 635078196 /nfs/dbraw/zinc/07/81/96/635078196.db2.gz GTWOQPRGTKBPDE-GFCCVEGCSA-N 1 1 286.400 3.314 20 30 CGEDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000840938736 635085534 /nfs/dbraw/zinc/08/55/34/635085534.db2.gz GGHGLZPCOVAJPM-QGZVFWFLSA-N 1 1 271.408 3.187 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000877560397 635090875 /nfs/dbraw/zinc/09/08/75/635090875.db2.gz POWRDEPSLSYUNU-INIZCTEOSA-N 1 1 292.467 3.184 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cccnc2Br)C1 ZINC000877604676 635108342 /nfs/dbraw/zinc/10/83/42/635108342.db2.gz FUNIPDAMBXJVRF-GFCCVEGCSA-N 1 1 293.208 3.079 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cnc3c(F)cccc3c2)C1 ZINC000877617166 635114527 /nfs/dbraw/zinc/11/45/27/635114527.db2.gz MENKQUCNVUUXGQ-CYBMUJFWSA-N 1 1 268.335 3.219 20 30 CGEDMO N#Cc1ccc(C2([NH2+]Cc3ccc(Cl)nn3)CCC2)cc1 ZINC000877618695 635115978 /nfs/dbraw/zinc/11/59/78/635115978.db2.gz CJZRRBFVLSZOST-UHFFFAOYSA-N 1 1 298.777 3.171 20 30 CGEDMO C#CCCCCCC[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000877655678 635133940 /nfs/dbraw/zinc/13/39/40/635133940.db2.gz HFJGBXKDUXHGIJ-UHFFFAOYSA-N 1 1 283.419 3.296 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)CC(C)(C)CCC#N ZINC000877704090 635155332 /nfs/dbraw/zinc/15/53/32/635155332.db2.gz HSRNKNGCJCWFDE-UHFFFAOYSA-N 1 1 269.392 3.363 20 30 CGEDMO COc1ccc([C@H]2C[N@@H+](C[C@H](C)CCC#N)CCO2)cc1 ZINC000877757268 635185185 /nfs/dbraw/zinc/18/51/85/635185185.db2.gz HNGVGGJPJXPVRQ-RHSMWYFYSA-N 1 1 288.391 3.008 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccccc2N2CCCCC2)CCC1 ZINC000841899319 635249823 /nfs/dbraw/zinc/24/98/23/635249823.db2.gz VIZYZDZOAWXVSP-UHFFFAOYSA-N 1 1 283.419 3.460 20 30 CGEDMO COc1ccc(C(N)=[NH+]OC[C@H]2CCCCC2(F)F)cc1 ZINC000842020443 635256297 /nfs/dbraw/zinc/25/62/97/635256297.db2.gz BAWISWQWSLIDHQ-GFCCVEGCSA-N 1 1 298.333 3.158 20 30 CGEDMO C#CCCCCC[N@H+](C)Cc1ccc(OC)c(O)c1 ZINC000878183062 635398620 /nfs/dbraw/zinc/39/86/20/635398620.db2.gz VXUREHOCJPZDAI-UHFFFAOYSA-N 1 1 261.365 3.026 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCC1=NNC12CC(C1)C2 ZINC000842546179 635399349 /nfs/dbraw/zinc/39/93/49/635399349.db2.gz FGBFGZIKNHLKAX-MXWWQKGMSA-N 1 1 283.419 3.027 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc(CC=C)cc(OC)c2O)C1 ZINC000842628302 635421323 /nfs/dbraw/zinc/42/13/23/635421323.db2.gz WDMCSWSAZKISBB-OAHLLOKOSA-N 1 1 299.414 3.365 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cn2ccc(-c3ccsc3)n2)C1 ZINC000842629391 635421383 /nfs/dbraw/zinc/42/13/83/635421383.db2.gz MBXBPCPIMSDNBG-AWEZNQCLSA-N 1 1 285.416 3.304 20 30 CGEDMO C=C(C)[C@H](CC(=O)OC[C@H]1CCC[N@H+](C(C)C)C1)OCC ZINC000842831140 635486014 /nfs/dbraw/zinc/48/60/14/635486014.db2.gz QCVDZTJDLSQBAU-HOTGVXAUSA-N 1 1 297.439 3.021 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCCC12CCC2)c1ccccc1 ZINC000878518334 635540056 /nfs/dbraw/zinc/54/00/56/635540056.db2.gz KXAPNQFCTGRPEY-LJQANCHMSA-N 1 1 296.414 3.446 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)CCCSC(C)(C)C)n1 ZINC000878527678 635544629 /nfs/dbraw/zinc/54/46/29/635544629.db2.gz IKANCVHKLKXDHT-UHFFFAOYSA-N 1 1 293.480 3.260 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)C[C@H]1C[C@@H](OC)C1 ZINC000878534044 635547589 /nfs/dbraw/zinc/54/75/89/635547589.db2.gz VTOGHPKKRUMVFA-CALCHBBNSA-N 1 1 259.393 3.490 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2c(C)cc(C)nc2C)C1 ZINC000878760020 635624735 /nfs/dbraw/zinc/62/47/35/635624735.db2.gz DVKSBEZVBDEQJL-INIZCTEOSA-N 1 1 256.393 3.242 20 30 CGEDMO Cc1ccc2c(ccc(C)c2C[N@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000878760861 635624779 /nfs/dbraw/zinc/62/47/79/635624779.db2.gz DDRTYKGGPDYWOX-IBGZPJMESA-N 1 1 294.398 3.307 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000843423849 635668195 /nfs/dbraw/zinc/66/81/95/635668195.db2.gz KWULRWULLRBKDE-CQSZACIVSA-N 1 1 297.377 3.451 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(OCC=C)c(OC)c2)C1 ZINC000843423708 635668855 /nfs/dbraw/zinc/66/88/55/635668855.db2.gz IQXBMRKMFVRHMD-INIZCTEOSA-N 1 1 299.414 3.495 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(OCC)cc2O)C1 ZINC000843424309 635668995 /nfs/dbraw/zinc/66/89/95/635668995.db2.gz RDDFDXFQNKNEPQ-AWEZNQCLSA-N 1 1 273.376 3.026 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC3(C[C@@H]2C)CCOCC3)cc1 ZINC000843430590 635672595 /nfs/dbraw/zinc/67/25/95/635672595.db2.gz BBYRNWVJDCPRIP-HNNXBMFYSA-N 1 1 269.388 3.059 20 30 CGEDMO C#CCCCCC[N@@H+]1C[C@@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000878998081 635676460 /nfs/dbraw/zinc/67/64/60/635676460.db2.gz NLFHPOJCONPILJ-OLZOCXBDSA-N 1 1 277.330 3.222 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000879240735 635731031 /nfs/dbraw/zinc/73/10/31/635731031.db2.gz FWLGTWQMXLZTFP-HOCLYGCPSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000879314035 635753855 /nfs/dbraw/zinc/75/38/55/635753855.db2.gz PQZRQMGDBMXWMB-WBVHZDCISA-N 1 1 286.419 3.150 20 30 CGEDMO CO[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000879325113 635758874 /nfs/dbraw/zinc/75/88/74/635758874.db2.gz LOHCJFLAAAOERH-WMLDXEAASA-N 1 1 286.419 3.487 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@H](c2cc(C(C)C)n[nH]2)C1 ZINC000879919597 635883304 /nfs/dbraw/zinc/88/33/04/635883304.db2.gz RXMHIJOQAMEACB-AWEZNQCLSA-N 1 1 259.397 3.126 20 30 CGEDMO C#CCCC[N@H+]1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000879919597 635883307 /nfs/dbraw/zinc/88/33/07/635883307.db2.gz RXMHIJOQAMEACB-AWEZNQCLSA-N 1 1 259.397 3.126 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000879919597 635883309 /nfs/dbraw/zinc/88/33/09/635883309.db2.gz RXMHIJOQAMEACB-AWEZNQCLSA-N 1 1 259.397 3.126 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844372111 635884077 /nfs/dbraw/zinc/88/40/77/635884077.db2.gz UXWFYKHGMGENSB-WMLDXEAASA-N 1 1 272.392 3.268 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000879961254 635889783 /nfs/dbraw/zinc/88/97/83/635889783.db2.gz CHLWGJKIPLRYDK-CJNGLKHVSA-N 1 1 272.392 3.102 20 30 CGEDMO CC(C)(O)[C@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000879963913 635890256 /nfs/dbraw/zinc/89/02/56/635890256.db2.gz QYKUXWZEAJZPOJ-HNNXBMFYSA-N 1 1 291.822 3.174 20 30 CGEDMO CC(C)(O)[C@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000879963913 635890258 /nfs/dbraw/zinc/89/02/58/635890258.db2.gz QYKUXWZEAJZPOJ-HNNXBMFYSA-N 1 1 291.822 3.174 20 30 CGEDMO C[C@H](c1ccccc1)[NH+]1CCN(CCCCC#N)CC1 ZINC000880247622 635955801 /nfs/dbraw/zinc/95/58/01/635955801.db2.gz JQGRZGCVURKNAP-MRXNPFEDSA-N 1 1 271.408 3.059 20 30 CGEDMO CO[C@]1(C(F)(F)F)CC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000880306850 635971084 /nfs/dbraw/zinc/97/10/84/635971084.db2.gz ZLFFXWARHZKHDQ-SMDDNHRTSA-N 1 1 298.308 3.272 20 30 CGEDMO Cc1cc(C[N@H+]2CC[C@H](c3nccs3)C2)ccc1C#N ZINC000880321454 635974842 /nfs/dbraw/zinc/97/48/42/635974842.db2.gz UKAYETMUZQYPAN-HNNXBMFYSA-N 1 1 283.400 3.313 20 30 CGEDMO Cc1ccc(-c2nnc([C@@H](C)O[NH+]=C(N)C(C)C)o2)cc1 ZINC000128491687 636022122 /nfs/dbraw/zinc/02/21/22/636022122.db2.gz FHTIFZVECZDPHJ-LLVKDONJSA-N 1 1 288.351 3.051 20 30 CGEDMO C=C[C@@H](CC(=O)OC[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1 ZINC000845817295 636102968 /nfs/dbraw/zinc/10/29/68/636102968.db2.gz FUTCKEWQKSPPFQ-VYDXJSESSA-N 1 1 287.403 3.230 20 30 CGEDMO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2nc(-c3ccccc3)n[nH]2)C1 ZINC000845952386 636123775 /nfs/dbraw/zinc/12/37/75/636123775.db2.gz RKMKCUONXKPRHD-UKRRQHHQSA-N 1 1 282.391 3.306 20 30 CGEDMO CCC[N@@H+](C)C[C@H]1CCN(c2ccc(C#N)cc2C)C1 ZINC000846751722 636226706 /nfs/dbraw/zinc/22/67/06/636226706.db2.gz JOJJBPHZGDFOQU-MRXNPFEDSA-N 1 1 271.408 3.035 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1cccc(C(=O)C(F)(F)F)c1 ZINC000846983599 636300275 /nfs/dbraw/zinc/30/02/75/636300275.db2.gz WBZPITHZMMCPIR-LBPRGKRZSA-N 1 1 284.281 3.213 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000847020819 636312769 /nfs/dbraw/zinc/31/27/69/636312769.db2.gz DRMHNCUNDARWLR-NSHDSACASA-N 1 1 278.739 3.093 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000847020819 636312772 /nfs/dbraw/zinc/31/27/72/636312772.db2.gz DRMHNCUNDARWLR-NSHDSACASA-N 1 1 278.739 3.093 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc3ccccc3c2)C1 ZINC000847027097 636316469 /nfs/dbraw/zinc/31/64/69/636316469.db2.gz SDYDLWVEPPSEOS-HNNXBMFYSA-N 1 1 292.382 3.124 20 30 CGEDMO C#C[C@H]1CCC[N@H+](CC(=O)Nc2ccc3ccccc3c2)C1 ZINC000847027097 636316480 /nfs/dbraw/zinc/31/64/80/636316480.db2.gz SDYDLWVEPPSEOS-HNNXBMFYSA-N 1 1 292.382 3.124 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+]([C@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC000847027740 636316555 /nfs/dbraw/zinc/31/65/55/636316555.db2.gz WLMBXSDLPDWQNI-HUUCEWRRSA-N 1 1 295.386 3.451 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC000847027740 636316558 /nfs/dbraw/zinc/31/65/58/636316558.db2.gz WLMBXSDLPDWQNI-HUUCEWRRSA-N 1 1 295.386 3.451 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000847025685 636316635 /nfs/dbraw/zinc/31/66/35/636316635.db2.gz CQFXWMHVKOZTBF-HUUCEWRRSA-N 1 1 295.386 3.451 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000847026846 636316826 /nfs/dbraw/zinc/31/68/26/636316826.db2.gz QRTQAJPWWCUHNI-LSDHHAIUSA-N 1 1 295.386 3.067 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000847026846 636316830 /nfs/dbraw/zinc/31/68/30/636316830.db2.gz QRTQAJPWWCUHNI-LSDHHAIUSA-N 1 1 295.386 3.067 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2nc3cc(Cl)ccc3n2C)C1 ZINC000847033582 636319815 /nfs/dbraw/zinc/31/98/15/636319815.db2.gz YWBDIINOVBBJIC-GFCCVEGCSA-N 1 1 287.794 3.072 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2nc3cc(Cl)ccc3n2C)C1 ZINC000847033582 636319823 /nfs/dbraw/zinc/31/98/23/636319823.db2.gz YWBDIINOVBBJIC-GFCCVEGCSA-N 1 1 287.794 3.072 20 30 CGEDMO C=C[C@@H](CC(=O)OCC[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000847823316 636459767 /nfs/dbraw/zinc/45/97/67/636459767.db2.gz LGWLFQROKUAYHX-CVEARBPZSA-N 1 1 287.403 3.231 20 30 CGEDMO C#CC[C@H]([NH2+]Cc1nc(C(C)C)c[nH]1)c1ccccc1 ZINC000883077024 636530782 /nfs/dbraw/zinc/53/07/82/636530782.db2.gz VUMPHAPMIJSWPH-HNNXBMFYSA-N 1 1 267.376 3.387 20 30 CGEDMO N#CC1CCC(C[NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000883111677 636542868 /nfs/dbraw/zinc/54/28/68/636542868.db2.gz MJAPINMIYBRIBN-UHFFFAOYSA-N 1 1 280.318 3.090 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](C/C=C\c2ccccc2OC)C1 ZINC000848924114 636695318 /nfs/dbraw/zinc/69/53/18/636695318.db2.gz NXJXGJVJVGGUPU-YYRKOSNBSA-N 1 1 255.361 3.054 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc3ccccc3nc2OC)C1 ZINC000848924469 636696774 /nfs/dbraw/zinc/69/67/74/636696774.db2.gz SWZHDPNZPXXRQR-CQSZACIVSA-N 1 1 280.371 3.089 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000848924490 636697436 /nfs/dbraw/zinc/69/74/36/636697436.db2.gz UASGJHXQHXBKHB-CYBMUJFWSA-N 1 1 283.400 3.050 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCOc1cc(OC)cc(OC)c1 ZINC000084963928 636770472 /nfs/dbraw/zinc/77/04/72/636770472.db2.gz QFIDPAUQQULOKQ-UHFFFAOYSA-N 1 1 299.798 3.157 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCOc1cc(OC)cc(OC)c1 ZINC000084963928 636770477 /nfs/dbraw/zinc/77/04/77/636770477.db2.gz QFIDPAUQQULOKQ-UHFFFAOYSA-N 1 1 299.798 3.157 20 30 CGEDMO C=CC[C@H]([NH2+]Cc1nccn1C(C)C)c1ccncc1 ZINC000850137610 636965965 /nfs/dbraw/zinc/96/59/65/636965965.db2.gz QSPOLLVXWNOIJM-HNNXBMFYSA-N 1 1 270.380 3.266 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1cc(Cl)c(OC)c(OC)c1 ZINC000134992233 637061960 /nfs/dbraw/zinc/06/19/60/637061960.db2.gz UDZNGIHOAZUIPW-UHFFFAOYSA-N 1 1 276.163 3.199 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)C[C@@H]1C[C@]12CCOC2 ZINC000885932816 637318017 /nfs/dbraw/zinc/31/80/17/637318017.db2.gz CNQRGAPPTNMOPH-ZFWWWQNUSA-N 1 1 263.406 3.163 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)C[C@@H](O)CC1(C#N)CCC1 ZINC000885933512 637319420 /nfs/dbraw/zinc/31/94/20/637319420.db2.gz WMLVUCSFYJKECF-AWEZNQCLSA-N 1 1 290.432 3.181 20 30 CGEDMO C[C@@H]1CC[N@@H+](C[C@H](O)CC2(C#N)CCC2)[C@@H]2CCCC[C@H]12 ZINC000885954471 637328707 /nfs/dbraw/zinc/32/87/07/637328707.db2.gz YYFLSVYAFJACAZ-QBPKDAKJSA-N 1 1 290.451 3.332 20 30 CGEDMO Cc1ccccc1C[N@@H+](C[C@@H](O)CC1(C#N)CCC1)C1CC1 ZINC000885967252 637336694 /nfs/dbraw/zinc/33/66/94/637336694.db2.gz KTONHOHGCLMWTD-SFHVURJKSA-N 1 1 298.430 3.404 20 30 CGEDMO CC[C@H](C)[C@H](C)[N@@H+](C[C@@H](O)CC1(C#N)CCC1)C1CC1 ZINC000885989282 637343906 /nfs/dbraw/zinc/34/39/06/637343906.db2.gz ZYDBARRLUDDJEL-DZKIICNBSA-N 1 1 278.440 3.330 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@]3(CC=CCC3)C2)CCC1 ZINC000886011051 637359100 /nfs/dbraw/zinc/35/91/00/637359100.db2.gz VATKYAKPALVHIW-IAGOWNOFSA-N 1 1 288.435 3.254 20 30 CGEDMO CCC[C@H](C)[C@H]1CCC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886044180 637384328 /nfs/dbraw/zinc/38/43/28/637384328.db2.gz SOJLUNBJFKVCTA-HRCADAONSA-N 1 1 278.440 3.332 20 30 CGEDMO CCC[C@H]1CCCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886134584 637430219 /nfs/dbraw/zinc/43/02/19/637430219.db2.gz WPKXCXCLWYIMRL-LSDHHAIUSA-N 1 1 264.413 3.086 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)[C@@H]1CC[C@@H](OC)C1 ZINC000851712393 637471069 /nfs/dbraw/zinc/47/10/69/637471069.db2.gz OEKUQJDWQYLYGA-CHWSQXEVSA-N 1 1 251.395 3.304 20 30 CGEDMO CC[N@@H+](C[C@H]1COC(C)(C)O1)[C@@H](C)c1ccc(C#N)cc1 ZINC000851736904 637484851 /nfs/dbraw/zinc/48/48/51/637484851.db2.gz XJSDKJCOWJKGCE-BBRMVZONSA-N 1 1 288.391 3.093 20 30 CGEDMO C#CC[N@@H+](Cc1cnc2ccccc2n1)C1CCCCC1 ZINC000851737477 637485670 /nfs/dbraw/zinc/48/56/70/637485670.db2.gz FHMPQPLEBMWEOB-UHFFFAOYSA-N 1 1 279.387 3.398 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000886355455 637511193 /nfs/dbraw/zinc/51/11/93/637511193.db2.gz IXODVNHGXBNEGP-IUODEOHRSA-N 1 1 297.320 3.084 20 30 CGEDMO C#CCOCC[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000851841641 637519288 /nfs/dbraw/zinc/51/92/88/637519288.db2.gz WCDXFOAJEHFZKF-GOSISDBHSA-N 1 1 282.387 3.345 20 30 CGEDMO CO[C@H]1CC[C@@H]([N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000851885352 637530256 /nfs/dbraw/zinc/53/02/56/637530256.db2.gz GCKMEYIGTFKLLH-MSOLQXFVSA-N 1 1 282.387 3.215 20 30 CGEDMO N#Cc1cccc(C2([NH2+]CC=C(Cl)Cl)CC2)c1 ZINC000851903021 637537974 /nfs/dbraw/zinc/53/79/74/637537974.db2.gz QNQSKBDDZMXMEB-UHFFFAOYSA-N 1 1 267.159 3.456 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1cc(F)ccc1OC(F)F ZINC000851986284 637565044 /nfs/dbraw/zinc/56/50/44/637565044.db2.gz HMFWCBHBGOVBIA-UHFFFAOYSA-N 1 1 271.282 3.271 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1cc(F)ccc1OC(F)F ZINC000851986284 637565050 /nfs/dbraw/zinc/56/50/50/637565050.db2.gz HMFWCBHBGOVBIA-UHFFFAOYSA-N 1 1 271.282 3.271 20 30 CGEDMO C#C[C@](C)(CC)[NH2+]Cc1csc(CCCC)n1 ZINC000852099396 637592466 /nfs/dbraw/zinc/59/24/66/637592466.db2.gz LHMNIRUGEIIUAW-CQSZACIVSA-N 1 1 250.411 3.377 20 30 CGEDMO C#C[C@](C)(CC)[NH2+][C@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC000852100070 637594926 /nfs/dbraw/zinc/59/49/26/637594926.db2.gz SUZINYADWSPPAR-CXAGYDPISA-N 1 1 283.375 3.498 20 30 CGEDMO C#C[C@](C)(CC)[NH2+]Cc1csc(-c2ccoc2)n1 ZINC000852102024 637595478 /nfs/dbraw/zinc/59/54/78/637595478.db2.gz JPISNUQUSOETLF-CQSZACIVSA-N 1 1 260.362 3.295 20 30 CGEDMO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1c(O)cccc1F ZINC000886605411 637600690 /nfs/dbraw/zinc/60/06/90/637600690.db2.gz PZGZSQQTBVDZEL-WQGACYEGSA-N 1 1 279.355 3.163 20 30 CGEDMO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1c(O)cccc1F ZINC000886617103 637608938 /nfs/dbraw/zinc/60/89/38/637608938.db2.gz DQPGVBRPELOQEZ-WOPDTQHZSA-N 1 1 262.328 3.264 20 30 CGEDMO C#CCC[N@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000852475017 637659486 /nfs/dbraw/zinc/65/94/86/637659486.db2.gz DRUNOCYVVXRYCF-UHFFFAOYSA-N 1 1 268.385 3.192 20 30 CGEDMO C#CCCC[N@@H+]1C[C@@H](c2cccc(F)c2)OCC1(C)C ZINC000852548971 637676917 /nfs/dbraw/zinc/67/69/17/637676917.db2.gz AITGHEVVPSZLJI-INIZCTEOSA-N 1 1 275.367 3.391 20 30 CGEDMO C=CC[N@@H+](Cc1cnnn1-c1ccccc1)C(C)(C)C ZINC000852554324 637677400 /nfs/dbraw/zinc/67/74/00/637677400.db2.gz JAPMPMXXBZQWFH-UHFFFAOYSA-N 1 1 270.380 3.054 20 30 CGEDMO C=CC[N@@H+](C[C@@H]1CN(c2ccccc2)C(=O)O1)C(C)(C)C ZINC000852554491 637678425 /nfs/dbraw/zinc/67/84/25/637678425.db2.gz OPDIPRQXOHGEQF-OAHLLOKOSA-N 1 1 288.391 3.298 20 30 CGEDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)cc1C#N ZINC000852701643 637697946 /nfs/dbraw/zinc/69/79/46/637697946.db2.gz SLJLSONCUYWHRJ-POYXUOKUSA-N 1 1 258.340 3.460 20 30 CGEDMO C#CCCC[N@@H+]1CCOc2cc(Br)ccc2C1 ZINC000852725541 637701363 /nfs/dbraw/zinc/70/13/63/637701363.db2.gz JDUSXIZXVSUHPF-UHFFFAOYSA-N 1 1 294.192 3.057 20 30 CGEDMO C#CCCC[N@H+]1CCOc2cc(Br)ccc2C1 ZINC000852725541 637701369 /nfs/dbraw/zinc/70/13/69/637701369.db2.gz JDUSXIZXVSUHPF-UHFFFAOYSA-N 1 1 294.192 3.057 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1cccc(C(F)F)c1 ZINC000852748943 637705991 /nfs/dbraw/zinc/70/59/91/637705991.db2.gz MGKDJUPZFONCBQ-UHFFFAOYSA-N 1 1 267.319 3.096 20 30 CGEDMO CC[N@@H+](c1ccc(Nc2cc(C#N)cnn2)cc1)C(C)C ZINC000853084915 637753377 /nfs/dbraw/zinc/75/33/77/637753377.db2.gz CDVHIVPWLDVBLK-UHFFFAOYSA-N 1 1 281.363 3.327 20 30 CGEDMO CC[N@H+](c1ccc(Nc2cc(C#N)cnn2)cc1)C(C)C ZINC000853084915 637753384 /nfs/dbraw/zinc/75/33/84/637753384.db2.gz CDVHIVPWLDVBLK-UHFFFAOYSA-N 1 1 281.363 3.327 20 30 CGEDMO C[N@H+](CCCF)Cc1ccc(C#N)cc1Br ZINC000887141096 637760309 /nfs/dbraw/zinc/76/03/09/637760309.db2.gz GBOCQGIVQUSRTE-UHFFFAOYSA-N 1 1 285.160 3.112 20 30 CGEDMO C[N@@H+](CCCF)Cc1ccc(C#N)cc1Br ZINC000887141096 637760319 /nfs/dbraw/zinc/76/03/19/637760319.db2.gz GBOCQGIVQUSRTE-UHFFFAOYSA-N 1 1 285.160 3.112 20 30 CGEDMO CC(=O)c1ccc(C#N)cc1NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000853748965 637907524 /nfs/dbraw/zinc/90/75/24/637907524.db2.gz UWMUEXUHZOVYFN-AWEZNQCLSA-N 1 1 285.391 3.046 20 30 CGEDMO CCCCCCCCNC(=O)N(CC)[C@@H]1CC[N@@H+](C)C1 ZINC000853901630 637951623 /nfs/dbraw/zinc/95/16/23/637951623.db2.gz GGYGZXOKRQWWFR-OAHLLOKOSA-N 1 1 283.460 3.083 20 30 CGEDMO CCCCCCCCC[NH+]1CCN(CC(C)(C)O)CC1 ZINC000112727347 638113530 /nfs/dbraw/zinc/11/35/30/638113530.db2.gz BOSKBZFPKISGDZ-UHFFFAOYSA-N 1 1 284.488 3.126 20 30 CGEDMO CC(C)c1cc(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)on1 ZINC000114509815 638374537 /nfs/dbraw/zinc/37/45/37/638374537.db2.gz NSSBJKBTUINENX-ZDUSSCGKSA-N 1 1 299.374 3.379 20 30 CGEDMO CC(C)[C@H](C[NH2+][C@H](C)CC(C)(C)C#N)N1CCCC1 ZINC000924634645 638380664 /nfs/dbraw/zinc/38/06/64/638380664.db2.gz ZTYVXXIQSXXBRG-CABCVRRESA-N 1 1 265.445 3.025 20 30 CGEDMO C[C@@H](CC(C)(C)C#N)NCC[N@H+](C)C1CCCCC1 ZINC000924802327 638407108 /nfs/dbraw/zinc/40/71/08/638407108.db2.gz LJJOVHJCMCHYEP-AWEZNQCLSA-N 1 1 265.445 3.169 20 30 CGEDMO C[C@@H](CC(C)(C)C#N)NCC[N@@H+](C)C1CCCCC1 ZINC000924802327 638407114 /nfs/dbraw/zinc/40/71/14/638407114.db2.gz LJJOVHJCMCHYEP-AWEZNQCLSA-N 1 1 265.445 3.169 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCOc2ccc(N)cc2C1 ZINC000925751869 638595852 /nfs/dbraw/zinc/59/58/52/638595852.db2.gz DVBHRHDBEMUXNJ-ZDUSSCGKSA-N 1 1 293.370 3.096 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCOc2ccc(N)cc2C1 ZINC000925753689 638598458 /nfs/dbraw/zinc/59/84/58/638598458.db2.gz IUXZDSMLBCSCHO-CYBMUJFWSA-N 1 1 293.370 3.096 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCOc2ccc(N)cc2C1 ZINC000925753689 638598462 /nfs/dbraw/zinc/59/84/62/638598462.db2.gz IUXZDSMLBCSCHO-CYBMUJFWSA-N 1 1 293.370 3.096 20 30 CGEDMO Cc1ccc(CN[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1C#N ZINC000925838774 638628112 /nfs/dbraw/zinc/62/81/12/638628112.db2.gz OAKMAYJDTOYGTR-MOPGFXCFSA-N 1 1 297.446 3.125 20 30 CGEDMO C#Cc1cccc(C[NH2+][C@H]2CCCc3scnc32)c1 ZINC000858423638 638713174 /nfs/dbraw/zinc/71/31/74/638713174.db2.gz AVLVWLBGNJCSNI-AWEZNQCLSA-N 1 1 268.385 3.292 20 30 CGEDMO C#CCCCCNc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000858443068 638721009 /nfs/dbraw/zinc/72/10/09/638721009.db2.gz FMGFHOQUOCYYQL-UHFFFAOYSA-N 1 1 292.386 3.212 20 30 CGEDMO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H](C)CC(C)(C)C#N)[nH]1 ZINC000926274541 638758053 /nfs/dbraw/zinc/75/80/53/638758053.db2.gz BEBCPRSANCUTEW-SRVKXCTJSA-N 1 1 277.416 3.297 20 30 CGEDMO COc1cc([C@@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)on1 ZINC000926370640 638767227 /nfs/dbraw/zinc/76/72/27/638767227.db2.gz RMXWEDNRXALJQC-SECBINFHSA-N 1 1 291.738 3.059 20 30 CGEDMO CC[C@@H]([NH2+]Cc1occc1C)c1cccc(C#N)c1O ZINC000926471929 638774478 /nfs/dbraw/zinc/77/44/78/638774478.db2.gz SZBWEQKDWONPPI-CQSZACIVSA-N 1 1 270.332 3.406 20 30 CGEDMO N#CC1(CN[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CCCCC1 ZINC000926711376 638802321 /nfs/dbraw/zinc/80/23/21/638802321.db2.gz MWMUQBMWZMHYCM-HZPDHXFCSA-N 1 1 275.440 3.067 20 30 CGEDMO N#CC1(CN[C@@H]2CCC[N@H+]3CCCC[C@H]23)CCCCC1 ZINC000926711376 638802322 /nfs/dbraw/zinc/80/23/22/638802322.db2.gz MWMUQBMWZMHYCM-HZPDHXFCSA-N 1 1 275.440 3.067 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CCCC1)c1cnn(C2CCC2)c1 ZINC000926881020 638820823 /nfs/dbraw/zinc/82/08/23/638820823.db2.gz RAXUGILODGBMPC-ZDUSSCGKSA-N 1 1 272.396 3.343 20 30 CGEDMO N#Cc1cncc(C[N@@H+](Cc2cccc(F)c2)C2CC2)c1 ZINC000929291627 638916221 /nfs/dbraw/zinc/91/62/21/638916221.db2.gz UBWKVUNOXVLCHU-UHFFFAOYSA-N 1 1 281.334 3.257 20 30 CGEDMO N#Cc1cncc(C[N@H+](Cc2cccc(F)c2)C2CC2)c1 ZINC000929291627 638916223 /nfs/dbraw/zinc/91/62/23/638916223.db2.gz UBWKVUNOXVLCHU-UHFFFAOYSA-N 1 1 281.334 3.257 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCC[C@H]2CN2CCCCC2)CC1 ZINC000929491051 638928417 /nfs/dbraw/zinc/92/84/17/638928417.db2.gz DOULBVDJUBTHPY-ABHNRTSZSA-N 1 1 289.467 3.267 20 30 CGEDMO CCC[N@@H+](Cc1cc(Cl)cc(C#N)c1)CC(C)(C)O ZINC000929526513 638930264 /nfs/dbraw/zinc/93/02/64/638930264.db2.gz SOYBHYLQPLYIOS-UHFFFAOYSA-N 1 1 280.799 3.195 20 30 CGEDMO CCOC[C@H]1CCC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000929644961 638936874 /nfs/dbraw/zinc/93/68/74/638936874.db2.gz YRZXLTWJRBCSGT-GPANFISMSA-N 1 1 264.413 3.065 20 30 CGEDMO CC(C)C[N@H+](CCC#N)C[C@@H](C)C(=O)c1ccc(O)cc1 ZINC000929688938 638941589 /nfs/dbraw/zinc/94/15/89/638941589.db2.gz YDCGHBJMKNMFHZ-CQSZACIVSA-N 1 1 288.391 3.083 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)C[C@@H](C)C(=O)c1ccc(O)cc1 ZINC000929688938 638941590 /nfs/dbraw/zinc/94/15/90/638941590.db2.gz YDCGHBJMKNMFHZ-CQSZACIVSA-N 1 1 288.391 3.083 20 30 CGEDMO Cc1[nH]c(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)c(C)[nH+]1 ZINC000929756330 638947693 /nfs/dbraw/zinc/94/76/93/638947693.db2.gz DWFKYUZFDIQDRC-AEFFLSMTSA-N 1 1 294.402 3.298 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)C[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000929778300 638949662 /nfs/dbraw/zinc/94/96/62/638949662.db2.gz GDALGOQOSJDUCB-ZSHCYNCHSA-N 1 1 266.429 3.452 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2cncc(C#N)c2)[C@@H]1c1ccccc1 ZINC000929788440 638951723 /nfs/dbraw/zinc/95/17/23/638951723.db2.gz RONWRUYFTOLSOH-DYVFJYSZSA-N 1 1 263.344 3.146 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cncc(C#N)c2)[C@@H]1c1ccccc1 ZINC000929788440 638951725 /nfs/dbraw/zinc/95/17/25/638951725.db2.gz RONWRUYFTOLSOH-DYVFJYSZSA-N 1 1 263.344 3.146 20 30 CGEDMO C[C@@H](CC#N)[N@H+](C)CCCN(C(=O)OC(C)(C)C)C1CC1 ZINC000929833377 638955739 /nfs/dbraw/zinc/95/57/39/638955739.db2.gz XLUUABHDAMCQKL-ZDUSSCGKSA-N 1 1 295.427 3.010 20 30 CGEDMO C[C@@H](CC#N)[N@@H+](C)CCCN(C(=O)OC(C)(C)C)C1CC1 ZINC000929833377 638955740 /nfs/dbraw/zinc/95/57/40/638955740.db2.gz XLUUABHDAMCQKL-ZDUSSCGKSA-N 1 1 295.427 3.010 20 30 CGEDMO C=CCC[N@H+](C)Cc1cnc(N(C)C)c2ccccc12 ZINC000930253392 638986360 /nfs/dbraw/zinc/98/63/60/638986360.db2.gz RRXXHUUOTLIHTN-UHFFFAOYSA-N 1 1 269.392 3.309 20 30 CGEDMO C[C@]1(O)CCC[N@@H+](CCCCC2(C#N)CCC2)CC1 ZINC000930280717 638988277 /nfs/dbraw/zinc/98/82/77/638988277.db2.gz ZXJYFSDCCRMGCI-HNNXBMFYSA-N 1 1 264.413 3.087 20 30 CGEDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2CCCCC1(C#N)CCC1 ZINC000930452159 639001061 /nfs/dbraw/zinc/00/10/61/639001061.db2.gz KHMILAIKRLEVRG-SMLCLMEVSA-N 1 1 288.435 3.206 20 30 CGEDMO CCC[C@]1(CO)CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000930506001 639013855 /nfs/dbraw/zinc/01/38/55/639013855.db2.gz YUBQWMVUOSNZMX-KRWDZBQOSA-N 1 1 278.440 3.335 20 30 CGEDMO N#CC1CCC(C[N@H+]2CC[C@H](c3ccncc3)C2)CC1 ZINC000930516097 639016168 /nfs/dbraw/zinc/01/61/68/639016168.db2.gz ITKYPGNJKZKBNU-DQPZFDDXSA-N 1 1 269.392 3.201 20 30 CGEDMO CC(C)C[C@@]1(C)CCC[N@H+]1Cc1cncc(C#N)c1 ZINC000930607306 639037586 /nfs/dbraw/zinc/03/75/86/639037586.db2.gz GIWAMRVCCTXSNH-MRXNPFEDSA-N 1 1 257.381 3.354 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)CC1 ZINC000930810233 639070240 /nfs/dbraw/zinc/07/02/40/639070240.db2.gz FSGBWPZSKLGXCU-BHUNQDJPSA-N 1 1 276.424 3.207 20 30 CGEDMO C[C@H]1COC2(CCCC2)C[N@H+]1CC1CCC(C#N)CC1 ZINC000931056432 639103546 /nfs/dbraw/zinc/10/35/46/639103546.db2.gz LVRIFYFQOQVJOA-FHERZECASA-N 1 1 276.424 3.350 20 30 CGEDMO C=CC[C@H]1[N@@H+](CC2CC(OC)C2)CCCC1(C)C ZINC000859280535 639124493 /nfs/dbraw/zinc/12/44/93/639124493.db2.gz JBEHJOWRIHFKJO-YMAMQOFZSA-N 1 1 251.414 3.478 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CCC1CN(C(=O)OC(C)(C)C)C1 ZINC000859282655 639124531 /nfs/dbraw/zinc/12/45/31/639124531.db2.gz PCHMGPLAGFCCAD-OAHLLOKOSA-N 1 1 294.439 3.284 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCc3nc(C4CC4)ncc3C2)CC1 ZINC000931257031 639127848 /nfs/dbraw/zinc/12/78/48/639127848.db2.gz BEHAMJMFOLBQLR-UHFFFAOYSA-N 1 1 296.418 3.042 20 30 CGEDMO C=CCC1(O)CC[NH+](Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000931749782 639200126 /nfs/dbraw/zinc/20/01/26/639200126.db2.gz BPUQQGJVZQEZRV-UHFFFAOYSA-N 1 1 290.794 3.115 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)C1 ZINC000931910195 639225997 /nfs/dbraw/zinc/22/59/97/639225997.db2.gz AZJSZBRRNYGCGB-OUAUKWLOSA-N 1 1 276.277 3.045 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)cc1F ZINC000931926121 639234544 /nfs/dbraw/zinc/23/45/44/639234544.db2.gz MTNBTDAUDAJBJK-PKOBYXMFSA-N 1 1 292.357 3.471 20 30 CGEDMO CN(C[C@@H]1CCCC[N@H+]1CCCC#N)C(=O)OC(C)(C)C ZINC000931976315 639244762 /nfs/dbraw/zinc/24/47/62/639244762.db2.gz QFQSVYIWRYFUPR-AWEZNQCLSA-N 1 1 295.427 3.012 20 30 CGEDMO C[C@@H](C[N@@H+](C)CCO[C@@H](C)C#N)C1CCCCC1 ZINC000859866171 639244563 /nfs/dbraw/zinc/24/45/63/639244563.db2.gz HJHMEWZUOZEVCQ-KBPBESRZSA-N 1 1 252.402 3.063 20 30 CGEDMO C[C@H](CC[N@H+]1CCC[C@@H](C#N)C1)OCc1ccccc1 ZINC000932147848 639274912 /nfs/dbraw/zinc/27/49/12/639274912.db2.gz HXGWXVRYMOHKAJ-WBVHZDCISA-N 1 1 272.392 3.217 20 30 CGEDMO COc1ccc([C@@H](C)C[N@@H+]2CCC[C@H](C#N)C2)cc1 ZINC000932150309 639276211 /nfs/dbraw/zinc/27/62/11/639276211.db2.gz BEQFHHDNDJEMQV-UONOGXRCSA-N 1 1 258.365 3.034 20 30 CGEDMO COc1ccc([C@@H](C)C[N@H+]2CCC[C@H](C#N)C2)cc1 ZINC000932150309 639276215 /nfs/dbraw/zinc/27/62/15/639276215.db2.gz BEQFHHDNDJEMQV-UONOGXRCSA-N 1 1 258.365 3.034 20 30 CGEDMO C#CC[N@@H+](Cc1cccc(Br)n1)C(C)(C)C ZINC000932459980 639338027 /nfs/dbraw/zinc/33/80/27/639338027.db2.gz CSGPSIYYAQFBML-UHFFFAOYSA-N 1 1 281.197 3.078 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](C3CCOCC3)C2)cc1 ZINC000933080778 639412894 /nfs/dbraw/zinc/41/28/94/639412894.db2.gz DUUXGOYXCYSKRO-GOSISDBHSA-N 1 1 284.403 3.197 20 30 CGEDMO Cc1csc(C[C@@H]2CC[N@H+]([C@@H]3CC[C@H](C#N)C3)C2)n1 ZINC000933128022 639421860 /nfs/dbraw/zinc/42/18/60/639421860.db2.gz SGMKDHBDNQOHET-MELADBBJSA-N 1 1 275.421 3.008 20 30 CGEDMO N#Cc1ccc([C@@H]2C[N@@H+]([C@H]3C=CCCC3)CCO2)cc1 ZINC000933629008 639472442 /nfs/dbraw/zinc/47/24/42/639472442.db2.gz RBCVFUKQZGKBBA-IRXDYDNUSA-N 1 1 268.360 3.040 20 30 CGEDMO N#Cc1ccc([C@@H]2C[N@H+]([C@H]3C=CCCC3)CCO2)cc1 ZINC000933629008 639472444 /nfs/dbraw/zinc/47/24/44/639472444.db2.gz RBCVFUKQZGKBBA-IRXDYDNUSA-N 1 1 268.360 3.040 20 30 CGEDMO N#Cc1ccc([C@H]2C[N@H+](CC3=CCCC3)CCO2)cc1 ZINC000933631184 639472485 /nfs/dbraw/zinc/47/24/85/639472485.db2.gz IDGRUMSZNWBTOA-QGZVFWFLSA-N 1 1 268.360 3.042 20 30 CGEDMO N#Cc1ccc([C@H]2C[N@@H+](CC3=CCCC3)CCO2)cc1 ZINC000933631184 639472487 /nfs/dbraw/zinc/47/24/87/639472487.db2.gz IDGRUMSZNWBTOA-QGZVFWFLSA-N 1 1 268.360 3.042 20 30 CGEDMO Cc1cccc(C)c1C[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000933762681 639486622 /nfs/dbraw/zinc/48/66/22/639486622.db2.gz FONCWSUURPSDBX-INIZCTEOSA-N 1 1 286.419 3.180 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000933820420 639494858 /nfs/dbraw/zinc/49/48/58/639494858.db2.gz VJZFTGLBDFLZPL-CQSZACIVSA-N 1 1 295.386 3.186 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCCSC[C@H]2C2CC2)cc1 ZINC000933917258 639508612 /nfs/dbraw/zinc/50/86/12/639508612.db2.gz IGCSALNARGMGMG-KRWDZBQOSA-N 1 1 286.444 3.470 20 30 CGEDMO C[N@H+](Cc1cc(-c2ccccc2)n[nH]1)CC1(CC#N)CC1 ZINC000934422388 639605919 /nfs/dbraw/zinc/60/59/19/639605919.db2.gz ZLASIIVIDKWWNL-UHFFFAOYSA-N 1 1 280.375 3.202 20 30 CGEDMO C[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)CC1(CC#N)CC1 ZINC000934422388 639605928 /nfs/dbraw/zinc/60/59/28/639605928.db2.gz ZLASIIVIDKWWNL-UHFFFAOYSA-N 1 1 280.375 3.202 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1cccnc1C(F)(F)F ZINC000934458888 639612007 /nfs/dbraw/zinc/61/20/07/639612007.db2.gz FGCUBCBTQARJJJ-LLVKDONJSA-N 1 1 256.271 3.251 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1cccnc1C(F)(F)F ZINC000934458888 639612015 /nfs/dbraw/zinc/61/20/15/639612015.db2.gz FGCUBCBTQARJJJ-LLVKDONJSA-N 1 1 256.271 3.251 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1C[C@@H](O)c1cccc(Br)c1 ZINC000934471953 639614784 /nfs/dbraw/zinc/61/47/84/639614784.db2.gz WZQHEZBWMTVJHT-UONOGXRCSA-N 1 1 296.208 3.133 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1C[C@@H](O)c1cccc(Br)c1 ZINC000934471953 639614789 /nfs/dbraw/zinc/61/47/89/639614789.db2.gz WZQHEZBWMTVJHT-UONOGXRCSA-N 1 1 296.208 3.133 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000934468842 639615254 /nfs/dbraw/zinc/61/52/54/639615254.db2.gz KVLJMIGZJPWQFJ-HIFRSBDPSA-N 1 1 283.375 3.372 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000934468842 639615261 /nfs/dbraw/zinc/61/52/61/639615261.db2.gz KVLJMIGZJPWQFJ-HIFRSBDPSA-N 1 1 283.375 3.372 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000935002124 639729641 /nfs/dbraw/zinc/72/96/41/639729641.db2.gz DRLZQODEERQUEF-CVEARBPZSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000935116724 639752339 /nfs/dbraw/zinc/75/23/39/639752339.db2.gz AOBIJAQEMBEUOQ-QGPMSJSTSA-N 1 1 286.419 3.150 20 30 CGEDMO CC[C@@H](CSC)[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC000157971991 639994926 /nfs/dbraw/zinc/99/49/26/639994926.db2.gz WJZQDDSRMXQAKC-HNNXBMFYSA-N 1 1 292.448 3.401 20 30 CGEDMO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H](C)C#N ZINC000091982206 640728102 /nfs/dbraw/zinc/72/81/02/640728102.db2.gz PYZBFSQRQKGKPN-JTQLQIEISA-N 1 1 297.196 3.136 20 30 CGEDMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@@H](C)C#N ZINC000091982206 640728106 /nfs/dbraw/zinc/72/81/06/640728106.db2.gz PYZBFSQRQKGKPN-JTQLQIEISA-N 1 1 297.196 3.136 20 30 CGEDMO CC[N@@H+](Cc1cc(Cl)ccc1O)C[C@@H](C)C#N ZINC000091983101 640728266 /nfs/dbraw/zinc/72/82/66/640728266.db2.gz NRKXMVCHANXNMM-JTQLQIEISA-N 1 1 252.745 3.027 20 30 CGEDMO CC[N@H+](Cc1cc(Cl)ccc1O)C[C@@H](C)C#N ZINC000091983101 640728269 /nfs/dbraw/zinc/72/82/69/640728269.db2.gz NRKXMVCHANXNMM-JTQLQIEISA-N 1 1 252.745 3.027 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCSC(C)(C)C2)cc1 ZINC000093504388 640774008 /nfs/dbraw/zinc/77/40/08/640774008.db2.gz PNXCIZPBSLOKTC-CYBMUJFWSA-N 1 1 290.432 3.305 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C2=CCCCCC2)C1 ZINC001007197091 640904568 /nfs/dbraw/zinc/90/45/68/640904568.db2.gz WATORPOSXGOGQL-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C3CCC3)cc2)C1 ZINC001007457913 640942893 /nfs/dbraw/zinc/94/28/93/640942893.db2.gz UFGZTPBGKOXXCK-GOSISDBHSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)c2cccs2)C1 ZINC001008499207 640951582 /nfs/dbraw/zinc/95/15/82/640951582.db2.gz JEXDCWWMBGDVFX-ZIAGYGMSSA-N 1 1 292.448 3.008 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C(C)C)c2)C1 ZINC001009089010 640954198 /nfs/dbraw/zinc/95/41/98/640954198.db2.gz VMKVYXAWXXMHAH-SFHVURJKSA-N 1 1 298.430 3.028 20 30 CGEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2cccc(C(C)C)c2)C1 ZINC001009089010 640954203 /nfs/dbraw/zinc/95/42/03/640954203.db2.gz VMKVYXAWXXMHAH-SFHVURJKSA-N 1 1 298.430 3.028 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](NC(=O)c2ccccc2C2CCC2)C1 ZINC001009355178 640958448 /nfs/dbraw/zinc/95/84/48/640958448.db2.gz BERDIXGMICUSEV-INIZCTEOSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC001009401903 640959107 /nfs/dbraw/zinc/95/91/07/640959107.db2.gz LUHNKIDCUFSXFG-KRWDZBQOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)ccc2C2CC2)C1 ZINC001015380208 640979872 /nfs/dbraw/zinc/97/98/72/640979872.db2.gz ZAHZFWFSOUUNEQ-MRXNPFEDSA-N 1 1 298.430 3.253 20 30 CGEDMO C=Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCC(=C)C)C2)cc1 ZINC001015739918 640985457 /nfs/dbraw/zinc/98/54/57/640985457.db2.gz JQAIQTKHPYOHJG-KRWDZBQOSA-N 1 1 284.403 3.100 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C(C)C)c2)C1 ZINC001015941870 640987823 /nfs/dbraw/zinc/98/78/23/640987823.db2.gz CEVLDRNGCFLZEZ-QGZVFWFLSA-N 1 1 286.419 3.190 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)c2sccc2C2CC2)C1 ZINC001016181025 640994619 /nfs/dbraw/zinc/99/46/19/640994619.db2.gz OKTGROCHBXXBTK-CYBMUJFWSA-N 1 1 290.432 3.006 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2sccc2CC)C1 ZINC001016329386 640995296 /nfs/dbraw/zinc/99/52/96/640995296.db2.gz YWRBZEYGTYABEX-CQSZACIVSA-N 1 1 292.448 3.081 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC001016344443 640995403 /nfs/dbraw/zinc/99/54/03/640995403.db2.gz CRALAQBBMHJMRQ-CRAIPNDOSA-N 1 1 298.430 3.028 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2CCC(C)(C)CC2)C1 ZINC001016359173 640995721 /nfs/dbraw/zinc/99/57/21/640995721.db2.gz FEKRRMHBJGKMCP-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cc3cc(C)ccc3o2)C1 ZINC001016330312 640995726 /nfs/dbraw/zinc/99/57/26/640995726.db2.gz RHJIKNNIYNXDFU-OAHLLOKOSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001016361917 640996866 /nfs/dbraw/zinc/99/68/66/640996866.db2.gz JDEXXHCYRPKDIY-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C(C)C)s2)C1 ZINC001016361527 640997193 /nfs/dbraw/zinc/99/71/93/640997193.db2.gz FNVLUIHOALQTLT-ZDUSSCGKSA-N 1 1 292.448 3.252 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001016361921 640997327 /nfs/dbraw/zinc/99/73/27/640997327.db2.gz JDEXXHCYRPKDIY-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1(C)CCCCC1 ZINC001017726457 641016002 /nfs/dbraw/zinc/01/60/02/641016002.db2.gz XTHMLQMKFFEKPY-IYBDPMFKSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1(C)CCCCC1 ZINC001017726457 641016003 /nfs/dbraw/zinc/01/60/03/641016003.db2.gz XTHMLQMKFFEKPY-IYBDPMFKSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]1CCC ZINC001017691007 641016370 /nfs/dbraw/zinc/01/63/70/641016370.db2.gz SGEIWIPWJQGUTB-WCXIOVBPSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]1CCC ZINC001017691007 641016375 /nfs/dbraw/zinc/01/63/75/641016375.db2.gz SGEIWIPWJQGUTB-WCXIOVBPSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC1(C)C ZINC001017821981 641017291 /nfs/dbraw/zinc/01/72/91/641017291.db2.gz ONFWSQFAKCINKV-XHSDSOJGSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C(C)C)CC1 ZINC001017922910 641018542 /nfs/dbraw/zinc/01/85/42/641018542.db2.gz RXJYEKWLFHLSDR-IYBDPMFKSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[NH+]1CCN(c2ccc3cc(Cl)ccc3n2)CC1 ZINC001165033350 721864369 /nfs/dbraw/zinc/86/43/69/721864369.db2.gz KNPGLTQNOODYKI-UHFFFAOYSA-N 1 1 287.794 3.196 20 30 CGEDMO C=CC[NH+]1CCN(c2ccc3cccc(Cl)c3n2)CC1 ZINC001165031925 721865838 /nfs/dbraw/zinc/86/58/38/721865838.db2.gz ZVBMTKHZQCDRQH-UHFFFAOYSA-N 1 1 287.794 3.196 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1c(C)cccc1C ZINC001155406785 805579392 /nfs/dbraw/zinc/57/93/92/805579392.db2.gz BSLVAQPXVOCMRA-MRXNPFEDSA-N 1 1 288.435 3.320 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1cc(C)ccc1F ZINC001155451168 805583755 /nfs/dbraw/zinc/58/37/55/805583755.db2.gz FBAQUGIRZMIAKL-CQSZACIVSA-N 1 1 292.398 3.150 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)CCCCCC(C)C ZINC001155644472 805598489 /nfs/dbraw/zinc/59/84/89/805598489.db2.gz BKGFGCYKCYJVIR-QGZVFWFLSA-N 1 1 294.483 3.443 20 30 CGEDMO Cc1[nH+]c(N2CCC[C@@H]2c2ccccn2)ccc1CC#N ZINC001156032743 805643873 /nfs/dbraw/zinc/64/38/73/805643873.db2.gz DPONLVCGPLIKGM-MRXNPFEDSA-N 1 1 278.359 3.193 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@](C)(CC)CCC ZINC001156036402 805644358 /nfs/dbraw/zinc/64/43/58/805644358.db2.gz ULAXHJGSBGUVAW-WBVHZDCISA-N 1 1 280.456 3.053 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)CCC1(C)CC1 ZINC001156177290 805662821 /nfs/dbraw/zinc/66/28/21/805662821.db2.gz SFZKXNULUXEREO-CYBMUJFWSA-N 1 1 286.847 3.146 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)CCC1(C)CC1 ZINC001156177290 805662823 /nfs/dbraw/zinc/66/28/23/805662823.db2.gz SFZKXNULUXEREO-CYBMUJFWSA-N 1 1 286.847 3.146 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)C(C)(C)C ZINC001156607086 805718721 /nfs/dbraw/zinc/71/87/21/805718721.db2.gz YBKAHLDKLKHQCS-UONOGXRCSA-N 1 1 268.445 3.071 20 30 CGEDMO C=C(C)C(=O)NCCCNc1[nH+]ccc2ccc(C)cc21 ZINC001156820633 805738292 /nfs/dbraw/zinc/73/82/92/805738292.db2.gz RNCJMENFFNBFCS-UHFFFAOYSA-N 1 1 283.375 3.038 20 30 CGEDMO Cc1cc2c(nc[nH+]c2N[C@@H](C)c2cccc(C#N)c2)[nH]1 ZINC001156871532 805742690 /nfs/dbraw/zinc/74/26/90/805742690.db2.gz JVNOQENCUDUEKA-NSHDSACASA-N 1 1 277.331 3.311 20 30 CGEDMO Cc1[nH+]c(N(C)Cc2ccc(N(C)C)cc2)ccc1CC#N ZINC001156921024 805752693 /nfs/dbraw/zinc/75/26/93/805752693.db2.gz PBEPHGFCGFYCAJ-UHFFFAOYSA-N 1 1 294.402 3.159 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(C2CC2)cc1 ZINC001157063020 805772131 /nfs/dbraw/zinc/77/21/31/805772131.db2.gz LAMVFYSGPOWPDX-OAHLLOKOSA-N 1 1 298.430 3.028 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C1CCCCC1 ZINC001157470693 805819435 /nfs/dbraw/zinc/81/94/35/805819435.db2.gz KUKBMTAAEXCFPA-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccoc1C ZINC001157503350 805826641 /nfs/dbraw/zinc/82/66/41/805826641.db2.gz LHRVTCFIWVWQAX-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC(=C)C ZINC001157705531 805854866 /nfs/dbraw/zinc/85/48/66/805854866.db2.gz CFVHDTFAMIHBAC-MRXNPFEDSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)C=C1CCC1 ZINC001157812034 805876982 /nfs/dbraw/zinc/87/69/82/805876982.db2.gz FONZEQMGIANJGY-OAHLLOKOSA-N 1 1 296.842 3.162 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C=C1CCC1 ZINC001157812034 805876992 /nfs/dbraw/zinc/87/69/92/805876992.db2.gz FONZEQMGIANJGY-OAHLLOKOSA-N 1 1 296.842 3.162 20 30 CGEDMO N#Cc1c[nH]c2cc[nH+]c(N[C@@H]3CCCc4cccnc43)c12 ZINC001157846770 805886448 /nfs/dbraw/zinc/88/64/48/805886448.db2.gz DGTIVTFIEAOLJX-CQSZACIVSA-N 1 1 289.342 3.319 20 30 CGEDMO C#CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCC=C ZINC001157907755 805901114 /nfs/dbraw/zinc/90/11/14/805901114.db2.gz DIEHWKLDWACWKT-QGZVFWFLSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC1(C)C ZINC001158363829 805944272 /nfs/dbraw/zinc/94/42/72/805944272.db2.gz LEDYXTHYSPFIMG-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCCC#CC ZINC001158357887 805944811 /nfs/dbraw/zinc/94/48/11/805944811.db2.gz RSFXCONBXQXKCX-QGZVFWFLSA-N 1 1 290.451 3.069 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)C(C)C ZINC001158553878 805965926 /nfs/dbraw/zinc/96/59/26/805965926.db2.gz ARFBRLRPCCHKMB-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+](CCCO)C(C)C ZINC001252129947 806015963 /nfs/dbraw/zinc/01/59/63/806015963.db2.gz HOALZFHUQDQWSF-MRXNPFEDSA-N 1 1 273.461 3.191 20 30 CGEDMO CCCCCCCC[C@@H](O)C[NH2+]Cc1ncc(Cl)cn1 ZINC001252133946 806019757 /nfs/dbraw/zinc/01/97/57/806019757.db2.gz MKXNTHOCMLNLFL-CQSZACIVSA-N 1 1 299.846 3.331 20 30 CGEDMO C=C[C@@](C)(O)C[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC001252541763 806059580 /nfs/dbraw/zinc/05/95/80/806059580.db2.gz SJPCYGLNNRABOA-CYBMUJFWSA-N 1 1 274.191 3.362 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC001252559602 806065840 /nfs/dbraw/zinc/06/58/40/806065840.db2.gz ZSJSOIMVDQOAHB-LSDHHAIUSA-N 1 1 265.784 3.414 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](c2cccc(OC)c2)C1 ZINC001252603990 806082720 /nfs/dbraw/zinc/08/27/20/806082720.db2.gz KLFSPSDZVJTJNH-SJORKVTESA-N 1 1 289.419 3.202 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H](C)CC)CC1 ZINC001159326065 806082905 /nfs/dbraw/zinc/08/29/05/806082905.db2.gz XFYXKVXWQIZPHD-OAHLLOKOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)Cc1c[nH]c2ccc(C)cc12 ZINC001252603433 806083015 /nfs/dbraw/zinc/08/30/15/806083015.db2.gz VNJGJMMXRBHCCK-HNNXBMFYSA-N 1 1 272.392 3.235 20 30 CGEDMO CC(C)n1ccc2c1nc[nH+]c2NCC#Cc1ccccc1 ZINC001159375705 806090768 /nfs/dbraw/zinc/09/07/68/806090768.db2.gz HAOVZMHUVOSGHV-UHFFFAOYSA-N 1 1 290.370 3.476 20 30 CGEDMO C[N@@H+](Cc1ccc(NCC#Cc2ccccc2)nc1)C1CC1 ZINC001159376253 806091156 /nfs/dbraw/zinc/09/11/56/806091156.db2.gz XHRXISIIIVJROG-UHFFFAOYSA-N 1 1 291.398 3.139 20 30 CGEDMO C=C(Cl)C[N@H+]1CC=C(CCNC(=O)CC2CCC2)CC1 ZINC001159693904 806153859 /nfs/dbraw/zinc/15/38/59/806153859.db2.gz WTXWTSHZIPRDDI-UHFFFAOYSA-N 1 1 296.842 3.068 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)CC2CCC2)CC1 ZINC001159693904 806153864 /nfs/dbraw/zinc/15/38/64/806153864.db2.gz WTXWTSHZIPRDDI-UHFFFAOYSA-N 1 1 296.842 3.068 20 30 CGEDMO CCCCCCC[C@@H](C)[NH2+]C[C@@H](O)CN(CC)CC ZINC001253214463 806182812 /nfs/dbraw/zinc/18/28/12/806182812.db2.gz QXVIYMQYDRPDSE-HZPDHXFCSA-N 1 1 272.477 3.028 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@@](C)(O)CC1 ZINC001253228762 806185844 /nfs/dbraw/zinc/18/58/44/806185844.db2.gz XHTGMDRWRBTUEV-DLBZAZTESA-N 1 1 283.456 3.111 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@](C)(CO)CC1 ZINC001253233978 806188207 /nfs/dbraw/zinc/18/82/07/806188207.db2.gz RHVWNWGTEQRKJB-QZTJIDSGSA-N 1 1 297.483 3.358 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001253237370 806188957 /nfs/dbraw/zinc/18/89/57/806188957.db2.gz XZXCPGOMXPFKBL-SQNIBIBYSA-N 1 1 295.467 3.375 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+](C)CCc1ccncc1 ZINC001253239650 806189837 /nfs/dbraw/zinc/18/98/37/806189837.db2.gz PPSRSUTUIDCCSA-SFHVURJKSA-N 1 1 290.451 3.443 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1CC[C@@H](OCCC)C1 ZINC001253238452 806190019 /nfs/dbraw/zinc/19/00/19/806190019.db2.gz DYPGELLNQPGMKW-IAGOWNOFSA-N 1 1 283.456 3.375 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CC[C@H](N(CC)CC)C1 ZINC001253240268 806190111 /nfs/dbraw/zinc/19/01/11/806190111.db2.gz IJSXYZAEMRHVCE-ZWKOTPCHSA-N 1 1 296.499 3.290 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1CC[C@H](N(CC)CC)C1 ZINC001253240268 806190112 /nfs/dbraw/zinc/19/01/12/806190112.db2.gz IJSXYZAEMRHVCE-ZWKOTPCHSA-N 1 1 296.499 3.290 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CC[C@@H](N2CCCC2)C1 ZINC001253239991 806190716 /nfs/dbraw/zinc/19/07/16/806190716.db2.gz WVYGMHVNHTXQSR-MSOLQXFVSA-N 1 1 294.483 3.044 20 30 CGEDMO C=CCCCCCC[C@H](O)CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC001253239991 806190722 /nfs/dbraw/zinc/19/07/22/806190722.db2.gz WVYGMHVNHTXQSR-MSOLQXFVSA-N 1 1 294.483 3.044 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[NH+]1CCN(C(C)(C)C)CC1 ZINC001253241064 806192309 /nfs/dbraw/zinc/19/23/09/806192309.db2.gz RLLBLWIBMPMSLR-QGZVFWFLSA-N 1 1 296.499 3.290 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001253240826 806192323 /nfs/dbraw/zinc/19/23/23/806192323.db2.gz AQIZWONNRCSGAE-CVEARBPZSA-N 1 1 264.413 3.109 20 30 CGEDMO C=C[C@@H](O)C[N@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001253578880 806263088 /nfs/dbraw/zinc/26/30/88/806263088.db2.gz JOMZRJDLHHHHQO-GXTWGEPZSA-N 1 1 285.309 3.042 20 30 CGEDMO C=C[C@H](O)C[N@H+]1C[C@H]2C[C@@]2(c2ccc(Cl)c(Cl)c2)C1 ZINC001253586807 806265143 /nfs/dbraw/zinc/26/51/43/806265143.db2.gz RXLRTSIXALSOPK-XUJVJEKNSA-N 1 1 298.213 3.114 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)CCCF)CC1 ZINC001160895936 806317054 /nfs/dbraw/zinc/31/70/54/806317054.db2.gz KHDGLVJVRAWMQH-OAHLLOKOSA-N 1 1 296.430 3.229 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC2(C)C)CC1 ZINC001160927141 806322377 /nfs/dbraw/zinc/32/23/77/806322377.db2.gz AQJSXNIMWJORGL-MRXNPFEDSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1ncnc2cc(C)c(C)cc21 ZINC001160957382 806327765 /nfs/dbraw/zinc/32/77/65/806327765.db2.gz KOLUDGQQMFBBJE-HNNXBMFYSA-N 1 1 296.418 3.309 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1CNc1cc(-c2ccccc2)ncn1 ZINC001160953502 806328279 /nfs/dbraw/zinc/32/82/79/806328279.db2.gz CJUYHJICVBMVGX-INIZCTEOSA-N 1 1 294.402 3.206 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NCCC1=CC[N@@H+](CC2CC2)CC1 ZINC001160967484 806330440 /nfs/dbraw/zinc/33/04/40/806330440.db2.gz JDAZDHRKSFNRSU-HNNXBMFYSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)CC2CC(C)(C)C2)CC1 ZINC001160997740 806334063 /nfs/dbraw/zinc/33/40/63/806334063.db2.gz SZAOGGXKODUENR-UHFFFAOYSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC(C)(C)C(=O)NCCC1=CC[N@@H+](CC(=C)C)CC1 ZINC001161336645 806367400 /nfs/dbraw/zinc/36/74/00/806367400.db2.gz VHQQDBAHORXWFP-UHFFFAOYSA-N 1 1 290.451 3.303 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)C2CCCC2)CC1 ZINC001161674238 806414085 /nfs/dbraw/zinc/41/40/85/806414085.db2.gz HZLZGZJUJMTJNE-HNNXBMFYSA-N 1 1 290.451 3.137 20 30 CGEDMO N#C[C@@H](Nc1cc2[nH+]c[nH]c2cc1F)c1ccccc1 ZINC001161725635 806437564 /nfs/dbraw/zinc/43/75/64/806437564.db2.gz PIIFNPWDYCMQNQ-OAHLLOKOSA-N 1 1 266.279 3.379 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)C[C@H](CC)C(C)C)CC1 ZINC001161729252 806439112 /nfs/dbraw/zinc/43/91/12/806439112.db2.gz QABSUKHWCODELU-KRWDZBQOSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)[C@H](C)c2ccccc2)CC1 ZINC001161742986 806442370 /nfs/dbraw/zinc/44/23/70/806442370.db2.gz ATMFSOAADZDBNG-MRXNPFEDSA-N 1 1 298.430 3.115 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)C1 ZINC001254665914 806479782 /nfs/dbraw/zinc/47/97/82/806479782.db2.gz RKQZZLQOHCZYMP-ZBRFXRBCSA-N 1 1 288.435 3.206 20 30 CGEDMO N#Cc1cccc(O[C@@H]2CCC[N@H+]([C@H]3CC[C@@H](C#N)C3)C2)c1 ZINC001254667240 806480269 /nfs/dbraw/zinc/48/02/69/806480269.db2.gz AJUXYEPCUNBQFQ-SOLBZPMBSA-N 1 1 295.386 3.094 20 30 CGEDMO SCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001255130308 806550429 /nfs/dbraw/zinc/55/04/29/806550429.db2.gz SOEYSCWKDRFRQX-OSYLJGHBSA-N 1 1 290.476 3.092 20 30 CGEDMO CC[C@@H](CC#N)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001255165297 806562916 /nfs/dbraw/zinc/56/29/16/806562916.db2.gz WPGKKUKQLNGOFY-YOCVDRLZSA-N 1 1 283.419 3.010 20 30 CGEDMO CC[C@H](CC#N)[N@H+]1CC[C@@]2(c3ccccc3OC2=O)C1(C)C ZINC001255178164 806569825 /nfs/dbraw/zinc/56/98/25/806569825.db2.gz BOLVBWZWOLYFPQ-ACJLOTCBSA-N 1 1 298.386 3.020 20 30 CGEDMO CC[C@H](CC#N)[N@@H+](CC)CCc1ccc(OC)cc1 ZINC001255176481 806569958 /nfs/dbraw/zinc/56/99/58/806569958.db2.gz AYMIRMMVGICZOD-OAHLLOKOSA-N 1 1 260.381 3.252 20 30 CGEDMO CC[C@H](CC#N)N1CC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC001255176459 806570766 /nfs/dbraw/zinc/57/07/66/806570766.db2.gz BQYVAWWDDJDZLG-RHSMWYFYSA-N 1 1 289.398 3.197 20 30 CGEDMO C=CCCCC[N@H+](C)C1CCC(C(=O)OCC)CC1 ZINC001255263679 806586773 /nfs/dbraw/zinc/58/67/73/806586773.db2.gz LSWLWTHDAKYTDR-UHFFFAOYSA-N 1 1 267.413 3.396 20 30 CGEDMO C#CC1(Nc2[nH+]cnc3[nH]c(C)cc32)CCCCC1 ZINC001162478788 806595370 /nfs/dbraw/zinc/59/53/70/806595370.db2.gz WPJKBOSZLLNIEV-UHFFFAOYSA-N 1 1 254.337 3.014 20 30 CGEDMO N#CC1(N[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCC1 ZINC001255377348 806628292 /nfs/dbraw/zinc/62/82/92/806628292.db2.gz FFNSYOLTROTBHM-KRWDZBQOSA-N 1 1 283.419 3.077 20 30 CGEDMO C[N@H+](Cc1ccc(Cl)nc1)Cc1cccc(C#N)c1 ZINC000026329716 798842109 /nfs/dbraw/zinc/84/21/09/798842109.db2.gz SFRXYQFJFGNGSK-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO C[N@@H+](Cc1ccc(Cl)nc1)Cc1cccc(C#N)c1 ZINC000026329716 798842112 /nfs/dbraw/zinc/84/21/12/798842112.db2.gz SFRXYQFJFGNGSK-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO C#CCOc1ccc(C[N@@H+](C)C2CCCCC2)cc1OC ZINC000077252917 798927181 /nfs/dbraw/zinc/92/71/81/798927181.db2.gz HMPCDOGRESTNAR-UHFFFAOYSA-N 1 1 287.403 3.472 20 30 CGEDMO CN1[C@@H]2CCC[C@H]1CC([N@H+](C)Cc1cccc(C#N)c1)C2 ZINC001255682922 806703641 /nfs/dbraw/zinc/70/36/41/806703641.db2.gz OOZWEHBGJSKESX-JWTNVVGKSA-N 1 1 283.419 3.005 20 30 CGEDMO CN1[C@@H]2CCC[C@H]1CC([N@@H+](C)Cc1cccc(C#N)c1)C2 ZINC001255682922 806703644 /nfs/dbraw/zinc/70/36/44/806703644.db2.gz OOZWEHBGJSKESX-JWTNVVGKSA-N 1 1 283.419 3.005 20 30 CGEDMO CCCC(N)=[NH+]OCc1ccccc1OCC(F)(F)F ZINC000172992011 799089904 /nfs/dbraw/zinc/08/99/04/799089904.db2.gz GNAPAVKIIGHEOQ-UHFFFAOYSA-N 1 1 290.285 3.217 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000216461387 799134972 /nfs/dbraw/zinc/13/49/72/799134972.db2.gz SLTKLMFLMUAGLC-QKPAOTATSA-N 1 1 280.456 3.214 20 30 CGEDMO C=C(Br)C[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000307267746 799215496 /nfs/dbraw/zinc/21/54/96/799215496.db2.gz FEBDWUHQLYMBMT-RYUDHWBXSA-N 1 1 258.203 3.407 20 30 CGEDMO C=CCCCCCCN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000310934237 799223411 /nfs/dbraw/zinc/22/34/11/799223411.db2.gz MFGUUOGYOFZFGT-MRXNPFEDSA-N 1 1 250.430 3.293 20 30 CGEDMO C=CCCCCCC[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000310934237 799223416 /nfs/dbraw/zinc/22/34/16/799223416.db2.gz MFGUUOGYOFZFGT-MRXNPFEDSA-N 1 1 250.430 3.293 20 30 CGEDMO C=CCCCCCC[N@H+]1CCN2CCCC[C@@H]2C1 ZINC000310934237 799223419 /nfs/dbraw/zinc/22/34/19/799223419.db2.gz MFGUUOGYOFZFGT-MRXNPFEDSA-N 1 1 250.430 3.293 20 30 CGEDMO C#CC[N@@H+](C)CCCN[C@H](C)c1oc2ccccc2c1C ZINC000328022659 799250534 /nfs/dbraw/zinc/25/05/34/799250534.db2.gz SSSPWXOBRNWHHK-OAHLLOKOSA-N 1 1 284.403 3.347 20 30 CGEDMO C#CC[N@H+](C)CCCN[C@H](C)c1oc2ccccc2c1C ZINC000328022659 799250539 /nfs/dbraw/zinc/25/05/39/799250539.db2.gz SSSPWXOBRNWHHK-OAHLLOKOSA-N 1 1 284.403 3.347 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](Cc1ccccc1)[C@@H](C)C1CC1 ZINC000385768532 799429387 /nfs/dbraw/zinc/42/93/87/799429387.db2.gz BISSFFYJDBJHNK-CABCVRRESA-N 1 1 272.392 3.216 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000390796794 799475546 /nfs/dbraw/zinc/47/55/46/799475546.db2.gz SMUGBIHJPGCJTI-UHFFFAOYSA-N 1 1 254.742 3.245 20 30 CGEDMO CCCCCCC[C@@H](C)[NH2+][C@@H](C)c1ncn(C)n1 ZINC000391946116 799481142 /nfs/dbraw/zinc/48/11/42/799481142.db2.gz WJCVBXKXNAFZCB-OLZOCXBDSA-N 1 1 252.406 3.215 20 30 CGEDMO COc1ccccc1[C@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000405128784 799581757 /nfs/dbraw/zinc/58/17/57/799581757.db2.gz FPMNZPSPFMMWJB-ZDUSSCGKSA-N 1 1 258.365 3.430 20 30 CGEDMO C[C@@H](Cc1ccc(F)cc1)[N@H+]1CCC[C@@H](C#N)CC1 ZINC001255875648 806778479 /nfs/dbraw/zinc/77/84/79/806778479.db2.gz MSYNPBLVIZXHPN-DZGCQCFKSA-N 1 1 260.356 3.382 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC000708223935 799983652 /nfs/dbraw/zinc/98/36/52/799983652.db2.gz RXEJIMWKVSJELJ-GDBMZVCRSA-N 1 1 264.413 3.207 20 30 CGEDMO C[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000708719695 799994419 /nfs/dbraw/zinc/99/44/19/799994419.db2.gz MSSCPCMGEAREAV-CYBMUJFWSA-N 1 1 286.272 3.472 20 30 CGEDMO C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000708719695 799994422 /nfs/dbraw/zinc/99/44/22/799994422.db2.gz MSSCPCMGEAREAV-CYBMUJFWSA-N 1 1 286.272 3.472 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)C[C@H]1CC(C)(C)OC1(C)C ZINC000711278358 800051245 /nfs/dbraw/zinc/05/12/45/800051245.db2.gz IKJSPVUVCOFYGT-CQSZACIVSA-N 1 1 266.429 3.452 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](CF)C2)c(Cl)c1 ZINC000711420341 800056736 /nfs/dbraw/zinc/05/67/36/800056736.db2.gz MQUXFTAYXDZTAJ-GFCCVEGCSA-N 1 1 266.747 3.393 20 30 CGEDMO C=C[C@H](Nc1ccc([N@@H+](C)CCCC)cc1)C(=O)OC ZINC000799978027 800395717 /nfs/dbraw/zinc/39/57/17/800395717.db2.gz UIZIWEBPXWBMTL-HNNXBMFYSA-N 1 1 276.380 3.062 20 30 CGEDMO C=C[C@H](Nc1ccc([N@H+](C)CCCC)cc1)C(=O)OC ZINC000799978027 800395724 /nfs/dbraw/zinc/39/57/24/800395724.db2.gz UIZIWEBPXWBMTL-HNNXBMFYSA-N 1 1 276.380 3.062 20 30 CGEDMO C#Cc1ccc(C[N@@H+](C)CCOc2ccccc2F)cc1 ZINC000809541432 800443643 /nfs/dbraw/zinc/44/36/43/800443643.db2.gz SZJYTGHBMLLRCC-UHFFFAOYSA-N 1 1 283.346 3.318 20 30 CGEDMO C#Cc1ccc(C[N@H+](Cc2ccccc2)C[C@@H](C)O)cc1 ZINC000809549262 800445586 /nfs/dbraw/zinc/44/55/86/800445586.db2.gz IAFFDCWZDHRVSH-MRXNPFEDSA-N 1 1 279.383 3.051 20 30 CGEDMO Cc1nc2c(o1)CCC[C@H]2[NH2+]Cc1ccc(C#N)cc1 ZINC000826779463 800477624 /nfs/dbraw/zinc/47/76/24/800477624.db2.gz KMWKNIDDEKWFNU-CQSZACIVSA-N 1 1 267.332 3.022 20 30 CGEDMO C#CC[N@@H+](C[C@@H]1[C@@H](c2ccccc2)C1(F)F)C(C)C ZINC000932384040 800663435 /nfs/dbraw/zinc/66/34/35/800663435.db2.gz MQCADGQNRNECLI-HUUCEWRRSA-N 1 1 263.331 3.379 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1C[C@@H](O)c1ccc(F)cc1Cl ZINC000934459171 800678160 /nfs/dbraw/zinc/67/81/60/800678160.db2.gz BYXIVBGOTJCUFF-BXUZGUMPSA-N 1 1 269.747 3.163 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)C2CCCCC2)CC1 ZINC001005059571 800698303 /nfs/dbraw/zinc/69/83/03/800698303.db2.gz WXKVORCBMOTGKV-UHFFFAOYSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001023228533 800708059 /nfs/dbraw/zinc/70/80/59/800708059.db2.gz ASOKLZQIGFWOKK-IAGOWNOFSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](CNC(=O)c2cscc2Cl)C1 ZINC001023434063 800710187 /nfs/dbraw/zinc/71/01/87/800710187.db2.gz AWAMPYSCCANZRC-NSHDSACASA-N 1 1 298.839 3.029 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](CNC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001023771227 800715665 /nfs/dbraw/zinc/71/56/65/800715665.db2.gz KWFQHDGZBRPVLW-FHERZECASA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccoc1Cl ZINC001024415625 800728165 /nfs/dbraw/zinc/72/81/65/800728165.db2.gz YKFWGVYQURGMJY-GFCCVEGCSA-N 1 1 296.798 3.093 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001024551795 800729484 /nfs/dbraw/zinc/72/94/84/800729484.db2.gz XXHHQZHPOYSJLM-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC=CCCC1 ZINC001024506990 800729680 /nfs/dbraw/zinc/72/96/80/800729680.db2.gz QORGDGOVZACHPA-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001024642085 800733249 /nfs/dbraw/zinc/73/32/49/800733249.db2.gz QCNPZDBPWMLLNC-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(Cl)s1 ZINC001024788678 800736683 /nfs/dbraw/zinc/73/66/83/800736683.db2.gz MZMHCBBNSGUWOF-NSHDSACASA-N 1 1 298.839 3.172 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(Cl)s1 ZINC001024788678 800736685 /nfs/dbraw/zinc/73/66/85/800736685.db2.gz MZMHCBBNSGUWOF-NSHDSACASA-N 1 1 298.839 3.172 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC(C)C ZINC001025196311 800748672 /nfs/dbraw/zinc/74/86/72/800748672.db2.gz SPPFSUYDVQCGPQ-IRXDYDNUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2sccc2C)C1 ZINC001025310201 800752919 /nfs/dbraw/zinc/75/29/19/800752919.db2.gz FUJABVOKAUFHGL-UONOGXRCSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccoc2)C1 ZINC001025343585 800759306 /nfs/dbraw/zinc/75/93/06/800759306.db2.gz JVWQSCKJZSGVKT-LSDHHAIUSA-N 1 1 290.407 3.076 20 30 CGEDMO N#C[C@H]1CC[N@H+](C2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC001256313954 806859787 /nfs/dbraw/zinc/85/97/87/806859787.db2.gz GHKHTNOPTDBGHE-CYBMUJFWSA-N 1 1 289.810 3.154 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC001027281532 800790621 /nfs/dbraw/zinc/79/06/21/800790621.db2.gz USJUICGSRUSOSZ-GFCCVEGCSA-N 1 1 298.839 3.037 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC001027281532 800790625 /nfs/dbraw/zinc/79/06/25/800790625.db2.gz USJUICGSRUSOSZ-GFCCVEGCSA-N 1 1 298.839 3.037 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001027425276 800796754 /nfs/dbraw/zinc/79/67/54/800796754.db2.gz HFGOGTHCPYPXPX-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)C2(C3CCC3)CCC2)C1 ZINC001027509826 800800408 /nfs/dbraw/zinc/80/04/08/800800408.db2.gz IQFWJQKDURJBAQ-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C2(C)CCCC2)C1 ZINC001027512034 800800536 /nfs/dbraw/zinc/80/05/36/800800536.db2.gz JIJAHSINIHHMNA-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C2(CC)CCC2)C1 ZINC001027534472 800801423 /nfs/dbraw/zinc/80/14/23/800801423.db2.gz ZDSWHFOHMAAODE-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)CC2CCCC2)C1 ZINC001027602864 800805419 /nfs/dbraw/zinc/80/54/19/800805419.db2.gz GMUFBBVBNJPREX-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccoc2C(C)C)C1 ZINC001027699101 800812998 /nfs/dbraw/zinc/81/29/98/800812998.db2.gz XVWXLBFHPRKHHI-CQSZACIVSA-N 1 1 290.407 3.125 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1sccc1C ZINC001027726620 800818219 /nfs/dbraw/zinc/81/82/19/800818219.db2.gz TYLPLQDRWMIDJV-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001027890702 800823469 /nfs/dbraw/zinc/82/34/69/800823469.db2.gz GNGBPQNLGNCEFS-ARFHVFGLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001027877868 800824715 /nfs/dbraw/zinc/82/47/15/800824715.db2.gz BLCUJNMAJSYVRI-HZPDHXFCSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC=CCCC1 ZINC001027963481 800824974 /nfs/dbraw/zinc/82/49/74/800824974.db2.gz LVBAMORWUCMGLE-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc2occc2c1 ZINC001027898613 800825765 /nfs/dbraw/zinc/82/57/65/800825765.db2.gz KCOZZFAFVVYJJG-INIZCTEOSA-N 1 1 298.386 3.203 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H]1CNC(=O)C1CCC2(CC2)CC1 ZINC001028032564 800828237 /nfs/dbraw/zinc/82/82/37/800828237.db2.gz YPDRQAGBNWOHIR-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C1CCC(C(=O)NC[C@H]2CCC[N@@H+]2C[C@H](C)CC)CC1 ZINC001028116977 800832009 /nfs/dbraw/zinc/83/20/09/800832009.db2.gz LNMJFWNXRVWEQZ-RHSMWYFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001028123326 800833670 /nfs/dbraw/zinc/83/36/70/800833670.db2.gz QKZVCAUHUOLDML-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Cl)cs1 ZINC001028180768 800836196 /nfs/dbraw/zinc/83/61/96/800836196.db2.gz FYNKDDXXGJIHRJ-GFCCVEGCSA-N 1 1 298.839 3.172 20 30 CGEDMO CC#CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C(C)C)cc1 ZINC001028280569 800838409 /nfs/dbraw/zinc/83/84/09/800838409.db2.gz PCMPVJSBNOFRMF-SFHVURJKSA-N 1 1 298.430 3.028 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(Cl)c1 ZINC001028282325 800839496 /nfs/dbraw/zinc/83/94/96/800839496.db2.gz ZHTKCRUHDMIGCT-OAHLLOKOSA-N 1 1 292.810 3.110 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(Cl)s1 ZINC001028301083 800841214 /nfs/dbraw/zinc/84/12/14/800841214.db2.gz OKNHHFXSIRJCIP-NSHDSACASA-N 1 1 298.839 3.172 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([C@H](C)CC)cc1 ZINC001028336330 800843288 /nfs/dbraw/zinc/84/32/88/800843288.db2.gz ATMVQICFXOZGKU-CRAIPNDOSA-N 1 1 298.430 3.028 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001028625517 800850475 /nfs/dbraw/zinc/85/04/75/800850475.db2.gz SSGATMHNPCFILY-DLBZAZTESA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001030027532 800883899 /nfs/dbraw/zinc/88/38/99/800883899.db2.gz ONEPQRCLMSPHKM-JZXOWHBKSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)=C1CCCC1 ZINC001032348535 800928600 /nfs/dbraw/zinc/92/86/00/800928600.db2.gz LWCMCBMCTCAKNQ-IRXDYDNUSA-N 1 1 288.435 3.128 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C3CCC3)cc2)C1 ZINC001033132122 800954823 /nfs/dbraw/zinc/95/48/23/800954823.db2.gz QCCZRQBGFDYCIX-SFHVURJKSA-N 1 1 298.430 3.286 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)C2(C)CCCCCC2)C1 ZINC001033150127 800954855 /nfs/dbraw/zinc/95/48/55/800954855.db2.gz AQZNPLQLCLGVKK-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001033534129 800968194 /nfs/dbraw/zinc/96/81/94/800968194.db2.gz ZWYZBNKXGCNLIM-ULQDDVLXSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)C2CCC(C)(C)CC2)C1 ZINC001033694835 800975051 /nfs/dbraw/zinc/97/50/51/800975051.db2.gz UAICZVJCGRFZCL-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001033695986 800975448 /nfs/dbraw/zinc/97/54/48/800975448.db2.gz GFNGYOMQUOWGAH-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3c(cccc3C)o2)C1 ZINC001033698746 800975793 /nfs/dbraw/zinc/97/57/93/800975793.db2.gz XJTWGDWMLLIZFC-CQSZACIVSA-N 1 1 298.386 3.074 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc(C)c2)C1 ZINC001033737553 800979809 /nfs/dbraw/zinc/97/98/09/800979809.db2.gz PXRSYVSIOSVDAN-KRWDZBQOSA-N 1 1 286.419 3.108 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccsc2)C1 ZINC001033744388 800981152 /nfs/dbraw/zinc/98/11/52/800981152.db2.gz GWFJQVQUQLXBFM-OAHLLOKOSA-N 1 1 292.448 3.251 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC=CCCC2)C1 ZINC001033871694 800985948 /nfs/dbraw/zinc/98/59/48/800985948.db2.gz GRNUWLBAHFVOCD-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCOC(=O)N[C@H]1CCC[N@H+]([C@H](C)CCC(C)C)C1 ZINC001256374574 806877182 /nfs/dbraw/zinc/87/71/82/806877182.db2.gz MDDYNOWTEYWAGX-CABCVRRESA-N 1 1 282.428 3.188 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccoc2CC)C1 ZINC001034185851 801009814 /nfs/dbraw/zinc/00/98/14/801009814.db2.gz WXVIGJNIJXOXAU-CQSZACIVSA-N 1 1 290.407 3.002 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@H](C)C2CCC2)C1 ZINC001034266321 801014397 /nfs/dbraw/zinc/01/43/97/801014397.db2.gz NXURBENQTZZMGF-HIFRSBDPSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@H](C)C2CCC2)C1 ZINC001034266321 801014403 /nfs/dbraw/zinc/01/44/03/801014403.db2.gz NXURBENQTZZMGF-HIFRSBDPSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001034265727 801015200 /nfs/dbraw/zinc/01/52/00/801015200.db2.gz LRFCCFHRQAOECL-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@H+](CC[C@H](C)F)C2)C1 ZINC001034389885 801024270 /nfs/dbraw/zinc/02/42/70/801024270.db2.gz VQUZDFJQOZQXTF-GJZGRUSLSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001034481674 801027865 /nfs/dbraw/zinc/02/78/65/801027865.db2.gz WEBJSLNJICYCDG-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)C2CCC=CCC2)C1 ZINC001034531190 801031354 /nfs/dbraw/zinc/03/13/54/801031354.db2.gz JBJRZDPEIJPBFA-QGZVFWFLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001034543669 801031926 /nfs/dbraw/zinc/03/19/26/801031926.db2.gz IQEHSOZHPVPOOK-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2cc(C)c(C)s2)C1 ZINC001034523887 801032527 /nfs/dbraw/zinc/03/25/27/801032527.db2.gz QCTSLPXPGDXSDN-CQSZACIVSA-N 1 1 292.448 3.135 20 30 CGEDMO C=C1CCC(C(=O)N2CCC3(CC[N@H+](CC)C3)CC2)CC1 ZINC001035223325 801056116 /nfs/dbraw/zinc/05/61/16/801056116.db2.gz OIYQSZIWEUSJCY-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)C3(CC)CCC3)CC[C@H]21 ZINC001036794870 801091604 /nfs/dbraw/zinc/09/16/04/801091604.db2.gz CTDUFBBQUBGFMU-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2CN(C(=O)C3(C)CCCCC3)CC[C@@H]21 ZINC001036811252 801091884 /nfs/dbraw/zinc/09/18/84/801091884.db2.gz NSCYLKHFNZJWRP-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)sc1C ZINC001038468639 801126847 /nfs/dbraw/zinc/12/68/47/801126847.db2.gz IWVVLWPQNUWKAS-AWEZNQCLSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)ccc1C1CC1 ZINC001038557036 801128506 /nfs/dbraw/zinc/12/85/06/801128506.db2.gz ZAIAEUDLDIKNPU-MRXNPFEDSA-N 1 1 298.430 3.253 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C(C)C)cc1 ZINC001038952076 801138093 /nfs/dbraw/zinc/13/80/93/801138093.db2.gz KMKJVLPHPHJPHU-QGZVFWFLSA-N 1 1 286.419 3.190 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)c1coc2ccccc12 ZINC001039077275 801145971 /nfs/dbraw/zinc/14/59/71/801145971.db2.gz QMYCJYKQWUGQJU-CQSZACIVSA-N 1 1 298.386 3.203 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC1(C)C ZINC001039421958 801160880 /nfs/dbraw/zinc/16/08/80/801160880.db2.gz CTPDPVCEVOXYIE-OWCLPIDISA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CCC1 ZINC001039418626 801161215 /nfs/dbraw/zinc/16/12/15/801161215.db2.gz LORLQQIBKJVURR-CVEARBPZSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C)C(C)C)C2)C1 ZINC001040426816 801178323 /nfs/dbraw/zinc/17/83/23/801178323.db2.gz YOPVLEPYTMWMTR-WMZOPIPTSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)c3ccccc3C)C2)C1 ZINC001041033291 801185223 /nfs/dbraw/zinc/18/52/23/801185223.db2.gz NEQNMKIYKKZYBU-LJQANCHMSA-N 1 1 298.430 3.109 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)C3(C)CCC3)C2)C1 ZINC001041550606 801191128 /nfs/dbraw/zinc/19/11/28/801191128.db2.gz SQWGSGILDZCSTI-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(C)cc3)C2)C1 ZINC001041802605 801194385 /nfs/dbraw/zinc/19/43/85/801194385.db2.gz UDLOTECZLVZYTJ-IBGZPJMESA-N 1 1 298.430 3.109 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)C3CCCCC3)C[C@H]21 ZINC001041909824 801196215 /nfs/dbraw/zinc/19/62/15/801196215.db2.gz KPTLEDTXFZVRCD-NVXWUHKLSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)CC(C)(C)C)C[C@H]21 ZINC001041927694 801197445 /nfs/dbraw/zinc/19/74/45/801197445.db2.gz INMMOZYATWHKNL-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)C(CC)CC)C[C@@H]21 ZINC001041949326 801198331 /nfs/dbraw/zinc/19/83/31/801198331.db2.gz GYPCDQLWCSKZPY-GJZGRUSLSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)C(CC)CC)C[C@@H]21 ZINC001041949326 801198337 /nfs/dbraw/zinc/19/83/37/801198337.db2.gz GYPCDQLWCSKZPY-GJZGRUSLSA-N 1 1 298.858 3.098 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)C3(CC)CCC3)C[C@@H]21 ZINC001042193654 801201619 /nfs/dbraw/zinc/20/16/19/801201619.db2.gz PPKIJMWRRWKHCX-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C3(CC)CCC3)C[C@H]21 ZINC001042193655 801202271 /nfs/dbraw/zinc/20/22/71/801202271.db2.gz PPKIJMWRRWKHCX-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](CCC(=C)C)[C@@H]2C1 ZINC001042181038 801202372 /nfs/dbraw/zinc/20/23/72/801202372.db2.gz CFQOCLXTGBIYGJ-HZPDHXFCSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(CC)CC)C[C@H]21 ZINC001042364904 801205257 /nfs/dbraw/zinc/20/52/57/801205257.db2.gz GNMYQKXLXBFLIP-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC ZINC001045840783 801289030 /nfs/dbraw/zinc/28/90/30/801289030.db2.gz PENJYURGPKOSNF-HLLBOEOZSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCCC[C@@]2(CC[N@H+](CCC)C2)C1 ZINC001045958204 801294432 /nfs/dbraw/zinc/29/44/32/801294432.db2.gz MIWKZJCBNCLDSI-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](F)CC)C2 ZINC001045956680 801295025 /nfs/dbraw/zinc/29/50/25/801295025.db2.gz LTSWMZBITWRHHX-NVXWUHKLSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(C)c(C)c2)C1 ZINC001046818450 801327350 /nfs/dbraw/zinc/32/73/50/801327350.db2.gz SIQCHYMWOMBDMY-GOSISDBHSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CCCC1 ZINC001049280173 801357861 /nfs/dbraw/zinc/35/78/61/801357861.db2.gz MTBHHTYSFPPZHG-IAGOWNOFSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(CC)CC ZINC001049343605 801366481 /nfs/dbraw/zinc/36/64/81/801366481.db2.gz LGSMGWIPLWCHGB-IRXDYDNUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(CC)CC ZINC001049342747 801366551 /nfs/dbraw/zinc/36/65/51/801366551.db2.gz GGGBFEUEQZILTJ-JKSUJKDBSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC1=CCCCC1 ZINC001049383681 801368238 /nfs/dbraw/zinc/36/82/38/801368238.db2.gz STEWDSKHCRSIBE-SJORKVTESA-N 1 1 288.435 3.128 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC=C(C)C ZINC001049633434 801378274 /nfs/dbraw/zinc/37/82/74/801378274.db2.gz BTKQQDKLXDYQOP-HOTGVXAUSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC(=C)C ZINC001049644712 801381082 /nfs/dbraw/zinc/38/10/82/801381082.db2.gz KOERWAQJCIZFQL-CVEARBPZSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](F)C(C)C ZINC001049656910 801382985 /nfs/dbraw/zinc/38/29/85/801382985.db2.gz KFNWIFXJBBXGMV-OAGGEKHMSA-N 1 1 296.430 3.012 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)C(CC)CC)[C@@H]2C1 ZINC001049978012 801394622 /nfs/dbraw/zinc/39/46/22/801394622.db2.gz IINUJVFYQHMHET-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C=C2CCC2)CC1 ZINC001052296929 801431193 /nfs/dbraw/zinc/43/11/93/801431193.db2.gz LZGLRVQWESCDDY-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C[C@@H]1C[C@H](N2CCC(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256536201 806910793 /nfs/dbraw/zinc/91/07/93/806910793.db2.gz FYBDGMJENBQCHJ-VQIMIIECSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1C[C@H](N2CCC(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256536201 806910796 /nfs/dbraw/zinc/91/07/96/806910796.db2.gz FYBDGMJENBQCHJ-VQIMIIECSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@H]1C[C@@H](NC2=CC(=O)CCC2)CC[N@H+]1Cc1ccccc1 ZINC001256524010 806909843 /nfs/dbraw/zinc/90/98/43/806909843.db2.gz RUUUQVNLTPLLDU-YJBOKZPZSA-N 1 1 298.430 3.266 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC2(C)C)CC1 ZINC001052636083 801443243 /nfs/dbraw/zinc/44/32/43/801443243.db2.gz NNFIRVAHZYHBGX-KBPBESRZSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@]23C[C@@H]2CCCC3)CC1 ZINC001052686903 801446759 /nfs/dbraw/zinc/44/67/59/801446759.db2.gz PIWYGIWBTBGQAM-BQFCYCMXSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+](CCCF)CC2)CC1 ZINC001052682755 801446843 /nfs/dbraw/zinc/44/68/43/801446843.db2.gz YUPJVHAXWFXFGJ-MRXNPFEDSA-N 1 1 296.430 3.063 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC001052686339 801447043 /nfs/dbraw/zinc/44/70/43/801447043.db2.gz JARKNPIYABLIGD-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](C/C=C/Cl)CC2)C1 ZINC001052693710 801449190 /nfs/dbraw/zinc/44/91/90/801449190.db2.gz XZZARXIUEQEUFI-BTKRWWFXSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](CCC3CC3)CC2)C1 ZINC001052693734 801449600 /nfs/dbraw/zinc/44/96/00/801449600.db2.gz YKVLRGKXCXOYOS-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2sccc2CC)CC1 ZINC001052955279 801456963 /nfs/dbraw/zinc/45/69/63/801456963.db2.gz BZPNTWLPWXPVLU-AWEZNQCLSA-N 1 1 292.448 3.081 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C(C)C)C2)C1 ZINC001053006074 801462417 /nfs/dbraw/zinc/46/24/17/801462417.db2.gz ICKUCMRDRLMHRW-IAGOWNOFSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC001053053107 801464309 /nfs/dbraw/zinc/46/43/09/801464309.db2.gz YRVYQDWIPJLVIB-JKSUJKDBSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@H]([C@@H]2CCC[N@H+](CC)C2)C1 ZINC001053032836 801464880 /nfs/dbraw/zinc/46/48/80/801464880.db2.gz MTMRRRQKZJHVCS-CVEARBPZSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC2CC2)C1 ZINC001053060262 801465636 /nfs/dbraw/zinc/46/56/36/801465636.db2.gz FOWUHGISCLJFTN-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCC)C1 ZINC001053063792 801465706 /nfs/dbraw/zinc/46/57/06/801465706.db2.gz RGWYPNXQYWXPGK-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(F)=C(C)C)C2 ZINC001054113577 801475063 /nfs/dbraw/zinc/47/50/63/801475063.db2.gz KMVQQTBALSLHTN-KRWDZBQOSA-N 1 1 294.414 3.140 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC1(C)CC1)C2 ZINC001054165128 801476019 /nfs/dbraw/zinc/47/60/19/801476019.db2.gz AFXYERAOQWZADO-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)C(C)C)C2 ZINC001054208031 801480263 /nfs/dbraw/zinc/48/02/63/801480263.db2.gz JPOCSQZWZLKUCP-FUHWJXTLSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1Cc2ccc(CNC(=O)C3CCC3)cc2C1 ZINC001054252272 801481441 /nfs/dbraw/zinc/48/14/41/801481441.db2.gz JHLHEZDCAQHZSB-UHFFFAOYSA-N 1 1 298.430 3.385 20 30 CGEDMO C[C@@H]1C[C@@H](N2CC[C@@](C)(C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC001256561199 806915895 /nfs/dbraw/zinc/91/58/95/806915895.db2.gz WBDARGZBIWLQTA-NEWSRXKRSA-N 1 1 297.446 3.275 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2CCCC2)CC[C@H]1C ZINC001071294494 801521642 /nfs/dbraw/zinc/52/16/42/801521642.db2.gz UCNIJOUPKCFTKB-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cccc(C)c2)CC[C@H]1C ZINC001071317242 801525775 /nfs/dbraw/zinc/52/57/75/801525775.db2.gz QCEBRVPGCXJKFK-WBVHZDCISA-N 1 1 286.419 3.154 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)C2C(C)(C)C2(C)C)CC[C@@H]1C ZINC001071414683 801534125 /nfs/dbraw/zinc/53/41/25/801534125.db2.gz VQKRIPMDHBLPAD-UONOGXRCSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2cscc2C)CC[C@@H]1C ZINC001071399482 801535332 /nfs/dbraw/zinc/53/53/32/801535332.db2.gz UHNFIDIRKUPYRF-UONOGXRCSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@H+]1C[C@H](NC(=O)c2ccoc2CC)CC[C@@H]1C ZINC001071473717 801539597 /nfs/dbraw/zinc/53/95/97/801539597.db2.gz LLKXESKEQNXCEU-UONOGXRCSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C23CCC(CC2)C3)CC[C@H]1C ZINC001071612255 801542910 /nfs/dbraw/zinc/54/29/10/801542910.db2.gz DWHLQBSUBUGNPR-CTMQZQKCSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C2CCCC2)CC[C@H]1C ZINC001071574910 801543312 /nfs/dbraw/zinc/54/33/12/801543312.db2.gz QZLDCJUZAMHWSY-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@H+]1C[C@H](NC(=O)c2ccc(CC)o2)CC[C@@H]1C ZINC001071620081 801545094 /nfs/dbraw/zinc/54/50/94/801545094.db2.gz ZRVLULSPOGUPLA-UONOGXRCSA-N 1 1 290.407 3.001 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2(C)CCC2)CC[C@H]1C ZINC001071741599 801547294 /nfs/dbraw/zinc/54/72/94/801547294.db2.gz HRHKBLCYBOBYLD-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2ccc(C)cc2C)CC[C@H]1C ZINC001072041425 801560316 /nfs/dbraw/zinc/56/03/16/801560316.db2.gz YCPCXSISSQFYRN-HZPDHXFCSA-N 1 1 286.419 3.072 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2ccc(C)cc2)CC[C@H]1C ZINC001072013304 801560420 /nfs/dbraw/zinc/56/04/20/801560420.db2.gz XMPIXASPNMMXKN-NVXWUHKLSA-N 1 1 286.419 3.154 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cccc(C3CC3)c2)CC[C@H]1C ZINC001072104702 801565985 /nfs/dbraw/zinc/56/59/85/801565985.db2.gz CVQPQXKTIDQABW-KDOFPFPSSA-N 1 1 298.430 3.333 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001079948105 801650058 /nfs/dbraw/zinc/65/00/58/801650058.db2.gz WBBPKVXABIRNLB-IXDOHACOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CC(CC)CC)C[C@H]2C)C1 ZINC001080403503 801651642 /nfs/dbraw/zinc/65/16/42/801651642.db2.gz SPSSHLOUTZMNIT-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccsc1C ZINC001085586889 801696120 /nfs/dbraw/zinc/69/61/20/801696120.db2.gz DZHYOIPGRCKHPI-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2occc2c1 ZINC001085610055 801696709 /nfs/dbraw/zinc/69/67/09/801696709.db2.gz IDYPYOVLQZMOMA-MRXNPFEDSA-N 1 1 298.386 3.155 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1sccc1CC ZINC001085985785 801717419 /nfs/dbraw/zinc/71/74/19/801717419.db2.gz MZIJYUDOHFBQHA-AWEZNQCLSA-N 1 1 292.448 3.033 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2oc(C)cc2C)[C@H]1CC ZINC001087533480 801755554 /nfs/dbraw/zinc/75/55/54/801755554.db2.gz YLJYVSNGCLCVDM-LSDHHAIUSA-N 1 1 290.407 3.055 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@]23C[C@H]2CCC3)[C@H]1CC ZINC001087664594 801759478 /nfs/dbraw/zinc/75/94/78/801759478.db2.gz UECUAJODIRIHHE-KYHPRHEASA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(CC)o2)[C@H]1CC ZINC001087627012 801760376 /nfs/dbraw/zinc/76/03/76/801760376.db2.gz FTCWVJCWQFPZRA-LSDHHAIUSA-N 1 1 290.407 3.001 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)=C2CCCC2)[C@H]1C ZINC001088517026 801799295 /nfs/dbraw/zinc/79/92/95/801799295.db2.gz SXMXYKPEMRDIOU-ZBFHGGJFSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC=CCCC2)[C@H]1C ZINC001088657005 801804420 /nfs/dbraw/zinc/80/44/20/801804420.db2.gz NTOLGXCAGWILBB-IKGGRYGDSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2(C)CCCC2)[C@H]1C ZINC001088780301 801805927 /nfs/dbraw/zinc/80/59/27/801805927.db2.gz ZSGYPSNYKZNGNP-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC(C)(C)C2)[C@H]1C ZINC001089065759 801819504 /nfs/dbraw/zinc/81/95/04/801819504.db2.gz AQZIFHQNXLKLFL-PMPSAXMXSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccoc2)CC(C)(C)C1 ZINC001089316131 801833537 /nfs/dbraw/zinc/83/35/37/801833537.db2.gz AXOPOUANSFGTJL-HNNXBMFYSA-N 1 1 290.407 3.076 20 30 CGEDMO C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CCCC1 ZINC001089601071 801844900 /nfs/dbraw/zinc/84/49/00/801844900.db2.gz JRDVPUZNTQHYES-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001089683210 801848148 /nfs/dbraw/zinc/84/81/48/801848148.db2.gz OBMMJOCXTVKBHO-MRVWCRGKSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001089683210 801848159 /nfs/dbraw/zinc/84/81/59/801848159.db2.gz OBMMJOCXTVKBHO-MRVWCRGKSA-N 1 1 298.858 3.002 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CCC1(C)C ZINC001089683641 801849749 /nfs/dbraw/zinc/84/97/49/801849749.db2.gz BZETZIQVAFVENI-HUUCEWRRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCCCCC1)C2 ZINC001095223369 801879828 /nfs/dbraw/zinc/87/98/28/801879828.db2.gz FEIPMAJIZRGTNF-IKGGRYGDSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C=C1CCCCC1)C2 ZINC001095221128 801880532 /nfs/dbraw/zinc/88/05/32/801880532.db2.gz PJEADVHLAQYJPS-IKGGRYGDSA-N 1 1 288.435 3.175 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC1(C)C)C2 ZINC001095885093 801884380 /nfs/dbraw/zinc/88/43/80/801884380.db2.gz NREBFJNKXJMSLF-UGUYLWEFSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCCCCC1)C2 ZINC001096866552 801894785 /nfs/dbraw/zinc/89/47/85/801894785.db2.gz FEIPMAJIZRGTNF-ZACQAIPSSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)=C1CCCC1)C2 ZINC001096939110 801898096 /nfs/dbraw/zinc/89/80/96/801898096.db2.gz JQTKFHACEBCNCY-ZACQAIPSSA-N 1 1 288.435 3.175 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(CCC)cc1)C2 ZINC001097748022 801902849 /nfs/dbraw/zinc/90/28/49/801902849.db2.gz JSHOJWAJTGPUOU-KURKYZTESA-N 1 1 298.430 3.160 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CCCCCC2)C1 ZINC001098754130 801914139 /nfs/dbraw/zinc/91/41/39/801914139.db2.gz PELRRFRVIGCUON-WMZOPIPTSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC ZINC001098869690 801918783 /nfs/dbraw/zinc/91/87/83/801918783.db2.gz YEEGYMPUUCGORE-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)C ZINC001098916830 801919546 /nfs/dbraw/zinc/91/95/46/801919546.db2.gz ULPDASYFLOBHDT-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCC ZINC001098909894 801920798 /nfs/dbraw/zinc/92/07/98/801920798.db2.gz GBZJNOXBZVWNIP-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CCC1 ZINC001098965977 801922333 /nfs/dbraw/zinc/92/23/33/801922333.db2.gz FIPDCVQCGJTBBX-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H](C)CC ZINC001099048858 801926165 /nfs/dbraw/zinc/92/61/65/801926165.db2.gz LIOJNCUTKUJXMN-HOTGVXAUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)/C(C)=C\C ZINC001099016802 801926731 /nfs/dbraw/zinc/92/67/31/801926731.db2.gz NCXAWNMBUGCAIC-XIEDVDOYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC(=C)C ZINC001099098680 801928927 /nfs/dbraw/zinc/92/89/27/801928927.db2.gz UUNZXAGRKYQVKT-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@](C)(C=C)CC ZINC001099213335 801933640 /nfs/dbraw/zinc/93/36/40/801933640.db2.gz CEGXEXSZZSUNBK-MAUKXSAKSA-N 1 1 292.467 3.382 20 30 CGEDMO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@H](C)CC ZINC001099280830 801935712 /nfs/dbraw/zinc/93/57/12/801935712.db2.gz MGDDLHONKMXAGF-CVEARBPZSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C)CCC)C[C@]2(C)C1 ZINC001101177339 801974365 /nfs/dbraw/zinc/97/43/65/801974365.db2.gz AHRJSOHGIOEWTJ-JZXOWHBKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)CCCC)C[C@]2(C)C1 ZINC001101138091 801974606 /nfs/dbraw/zinc/97/46/06/801974606.db2.gz ZNNBGEOOHSHZGD-JZXOWHBKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)CCCC(C)C)C[C@]2(C)C1 ZINC001101371611 801978250 /nfs/dbraw/zinc/97/82/50/801978250.db2.gz JCBVGMLLCWPELM-AEFFLSMTSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](CNC(=O)c2cccs2)[C@H](C)C1 ZINC001101690147 801985491 /nfs/dbraw/zinc/98/54/91/801985491.db2.gz LWPTULNGJOJKOX-ZIAGYGMSSA-N 1 1 292.448 3.012 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](CNC(=O)CC2CCCCC2)[C@H](C)C1 ZINC001101706065 801988136 /nfs/dbraw/zinc/98/81/36/801988136.db2.gz KRVLMSPXVXFQIQ-NVXWUHKLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C ZINC001102003775 801997642 /nfs/dbraw/zinc/99/76/42/801997642.db2.gz PAGSGTRUQVMDCW-HZPDHXFCSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CC[N@H+]1C[C@@H](CNC(=O)CCCCC(C)(C)C)[C@H](C)C1 ZINC001101994894 801997633 /nfs/dbraw/zinc/99/76/33/801997633.db2.gz VONKPBAGUKJEHR-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1C[N@@H+](CCCC(C)C)C[C@H]1C ZINC001102011628 801998240 /nfs/dbraw/zinc/99/82/40/801998240.db2.gz JHLACFKWGUUMPM-IAGOWNOFSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](CNC(=O)CC(C)(C)CC)[C@H](C)C1 ZINC001102001268 801998414 /nfs/dbraw/zinc/99/84/14/801998414.db2.gz FGOLQBCNNBEXBQ-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1C[N@@H+](CC(CC)CC)C[C@H]1C ZINC001102229918 801999523 /nfs/dbraw/zinc/99/95/23/801999523.db2.gz JYCMQKLAPISPCO-GDBMZVCRSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](CNC(=O)C[C@@H](C=C)CC)[C@H](C)C1 ZINC001102264229 802003594 /nfs/dbraw/zinc/00/35/94/802003594.db2.gz ALTGJGCGVFPAOK-IXDOHACOSA-N 1 1 292.467 3.239 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](CNC(=O)CC(CC)CC)[C@H](C)C1 ZINC001102484561 802009494 /nfs/dbraw/zinc/00/94/94/802009494.db2.gz NQKWHVBJEYZANN-NVXWUHKLSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](CNC(=O)C[C@H](C)C(C)(C)C)[C@H](C)C1 ZINC001102530044 802012884 /nfs/dbraw/zinc/01/28/84/802012884.db2.gz AABISVBRHPTDQF-OWCLPIDISA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC(C)(C)C)C1 ZINC001102667388 802016749 /nfs/dbraw/zinc/01/67/49/802016749.db2.gz AMNXNBXORUANCK-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)/C=C/C(C)(C)C)C1 ZINC001102784195 802019348 /nfs/dbraw/zinc/01/93/48/802019348.db2.gz OJAWPDLQAABVII-JDFMTEHDSA-N 1 1 292.467 3.239 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)CCC)C1 ZINC001102762188 802020056 /nfs/dbraw/zinc/02/00/56/802020056.db2.gz QNDXDQNONDXVAC-ARFHVFGLSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCC(=O)NCC[C@@H]1C[N@@H+](CCCCC)C[C@H]1C ZINC001102762949 802020367 /nfs/dbraw/zinc/02/03/67/802020367.db2.gz ZUCMFRUEEXRLRX-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C=C(CC)CC)C1 ZINC001102851736 802021374 /nfs/dbraw/zinc/02/13/74/802021374.db2.gz XXCJMDNSGLSAMY-NVXWUHKLSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C(C)CCC(=O)NCC[C@@H]1C[N@@H+](CC[C@H](C)F)C[C@H]1C ZINC001103040384 802027661 /nfs/dbraw/zinc/02/76/61/802027661.db2.gz SYCIOAFOVAQSCG-OWCLPIDISA-N 1 1 298.446 3.165 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@](C)(F)CCCC)C1 ZINC001103161323 802027784 /nfs/dbraw/zinc/02/77/84/802027784.db2.gz YJXGTMDBFAGOHK-BFYDXBDKSA-N 1 1 298.446 3.165 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](CCCC)C[C@H]1C ZINC001103306679 802029284 /nfs/dbraw/zinc/02/92/84/802029284.db2.gz PUIZJOHATXETRJ-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)CC(=C)C)C1 ZINC001103346595 802031969 /nfs/dbraw/zinc/03/19/69/802031969.db2.gz NSSLVAJBDIDBID-BRWVUGGUSA-N 1 1 292.467 3.239 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001103417326 802034272 /nfs/dbraw/zinc/03/42/72/802034272.db2.gz REJDGISLIIEYPW-QBPKDAKJSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)C)C1 ZINC001103665415 802036180 /nfs/dbraw/zinc/03/61/80/802036180.db2.gz BORFORJJKULUIG-BZUAXINKSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@](C)(CC)CCC)C1 ZINC001103578638 802036397 /nfs/dbraw/zinc/03/63/97/802036397.db2.gz DDYKQHLIAFSMIB-JFIYKMOQSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)C2CCCC2)C1 ZINC001103630530 802036893 /nfs/dbraw/zinc/03/68/93/802036893.db2.gz VEPWMIYUOISAQY-HLLBOEOZSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@]2(CNC(=O)CC(C)C)CCC[C@@H]12 ZINC001107263918 802083731 /nfs/dbraw/zinc/08/37/31/802083731.db2.gz OOTOJLAMNWCMEQ-SJLPKXTDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC(C)C)CC2 ZINC001107319337 802086293 /nfs/dbraw/zinc/08/62/93/802086293.db2.gz KKMWCJHTLJHRQQ-SJLPKXTDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC)CC2 ZINC001107534152 802089919 /nfs/dbraw/zinc/08/99/19/802089919.db2.gz ZTIRNCUXUPXJQE-BPQIPLTHSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(C)(C)C)C2 ZINC001108938245 802104212 /nfs/dbraw/zinc/10/42/12/802104212.db2.gz CBXFDIQEPMRARG-ILXRZTDVSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC=C)C2 ZINC001109054900 802105654 /nfs/dbraw/zinc/10/56/54/802105654.db2.gz FDDDGACLFRYHQZ-IKGGRYGDSA-N 1 1 290.451 3.421 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(CC)CC)C2 ZINC001108959218 802106128 /nfs/dbraw/zinc/10/61/28/802106128.db2.gz IQGQZNAAFHNZOX-ORQFMDKSSA-N 1 1 292.467 3.499 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)CC)C2 ZINC001109208272 802112725 /nfs/dbraw/zinc/11/27/25/802112725.db2.gz HTUPOFKCUOAAAW-FZKCQIBNSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@H](C)F ZINC001109342999 802115063 /nfs/dbraw/zinc/11/50/63/802115063.db2.gz FGLMSDWNWSMOMT-XGUBFFRZSA-N 1 1 296.430 3.058 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)CC(C)(C)C)C2 ZINC001109754699 802122200 /nfs/dbraw/zinc/12/22/00/802122200.db2.gz NDBLULWURLJARV-FZKCQIBNSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccsc1)C2 ZINC001110267576 802135001 /nfs/dbraw/zinc/13/50/01/802135001.db2.gz XXGKJGQSYIXKCE-KFWWJZLASA-N 1 1 290.432 3.049 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(C)(C)C1 ZINC001110378810 802138189 /nfs/dbraw/zinc/13/81/89/802138189.db2.gz IRNQRHOJECFEGP-OAGGEKHMSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(CC)CC ZINC001110379041 802139204 /nfs/dbraw/zinc/13/92/04/802139204.db2.gz SPQBHZKWBBTIEY-OAGGEKHMSA-N 1 1 278.440 3.110 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCCF ZINC001110610537 802146671 /nfs/dbraw/zinc/14/66/71/802146671.db2.gz HTVPZRDUXCXXKR-OAGGEKHMSA-N 1 1 296.430 3.204 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C=C)C2 ZINC001110897354 802148537 /nfs/dbraw/zinc/14/85/37/802148537.db2.gz JUNPIDOVMXQSFJ-FPCVCCKLSA-N 1 1 290.451 3.275 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(CCC)CCC1)C2 ZINC001110921021 802150589 /nfs/dbraw/zinc/15/05/89/802150589.db2.gz BKLVCGMBIBSXDC-OAGGEKHMSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C/Cl ZINC001110984617 802151766 /nfs/dbraw/zinc/15/17/66/802151766.db2.gz JWNKAOKJVSQGND-YPAFUECLSA-N 1 1 296.842 3.063 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C/C=C/Cl ZINC001110984617 802151769 /nfs/dbraw/zinc/15/17/69/802151769.db2.gz JWNKAOKJVSQGND-YPAFUECLSA-N 1 1 296.842 3.063 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC)CCC1 ZINC001110987250 802152923 /nfs/dbraw/zinc/15/29/23/802152923.db2.gz LJTXSSROJFHLJB-OAGGEKHMSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)CCC=C ZINC001110964634 802152962 /nfs/dbraw/zinc/15/29/62/802152962.db2.gz UFUAFESTDAUHPO-HZMVEIRTSA-N 1 1 290.451 3.419 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)C1CC1)C2 ZINC001111472802 802159870 /nfs/dbraw/zinc/15/98/70/802159870.db2.gz ZSVYWJICORVUQP-SVGFKBNWSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)/C=C/C(C)(C)C)C1 ZINC001111667137 802164266 /nfs/dbraw/zinc/16/42/66/802164266.db2.gz VJBJWFKMXRRPMB-HZTSREPPSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)/C=C\C(C)(C)C)C1 ZINC001111666488 802164735 /nfs/dbraw/zinc/16/47/35/802164735.db2.gz DBLDKYIVQUCKHU-PGVAUGIKSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C=C(CC)CC)C1 ZINC001111697509 802165894 /nfs/dbraw/zinc/16/58/94/802165894.db2.gz GAKOIKIOAVZVRP-WMZOPIPTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)/C=C(\C)CC)C1 ZINC001111737779 802167910 /nfs/dbraw/zinc/16/79/10/802167910.db2.gz OAQJSZUWZJFFSO-SZPPPQKLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(C)C)C2 ZINC001111848874 802170155 /nfs/dbraw/zinc/17/01/55/802170155.db2.gz WFZSJTLSZSHDAG-BQFCYCMXSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[C@@H](C)CC ZINC001114330579 802241082 /nfs/dbraw/zinc/24/10/82/802241082.db2.gz HCQFMSUCZSQJTI-LISAXSMJSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)CC(C)(C)C ZINC001114937590 802248701 /nfs/dbraw/zinc/24/87/01/802248701.db2.gz OTHYGVOESWDNMG-WCVJEAGWSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](CC)C(C)C ZINC001115145825 802252838 /nfs/dbraw/zinc/25/28/38/802252838.db2.gz ONXOORBIFDXQMO-CBZIJGRNSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(Br)C[N@@H+](C)[C@H](C)Cc1ccc(OC)cc1 ZINC001115929074 802287531 /nfs/dbraw/zinc/28/75/31/802287531.db2.gz KUYFQPPUUQXYIV-GFCCVEGCSA-N 1 1 298.224 3.467 20 30 CGEDMO C=C(Br)C[N@H+](C)[C@H](C)Cc1ccc(OC)cc1 ZINC001115929074 802287533 /nfs/dbraw/zinc/28/75/33/802287533.db2.gz KUYFQPPUUQXYIV-GFCCVEGCSA-N 1 1 298.224 3.467 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2nc3ccccc3n2CCC)C1 ZINC001116554769 802376865 /nfs/dbraw/zinc/37/68/65/802376865.db2.gz DYZNVWZJRGFEKH-HNNXBMFYSA-N 1 1 299.418 3.223 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2nc3ccccc3n2CCC)C1 ZINC001116554769 802376868 /nfs/dbraw/zinc/37/68/68/802376868.db2.gz DYZNVWZJRGFEKH-HNNXBMFYSA-N 1 1 299.418 3.223 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC001116691300 802396569 /nfs/dbraw/zinc/39/65/69/802396569.db2.gz FKPDIIPYZWLNJO-CYBMUJFWSA-N 1 1 269.747 3.256 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC001116691300 802396578 /nfs/dbraw/zinc/39/65/78/802396578.db2.gz FKPDIIPYZWLNJO-CYBMUJFWSA-N 1 1 269.747 3.256 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1C[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC001172501445 808357222 /nfs/dbraw/zinc/35/72/22/808357222.db2.gz CZTWXZFXLDZPMI-MCIONIFRSA-N 1 1 295.427 3.056 20 30 CGEDMO CCCCCCCC[C@H](CC)n1cnc(C[NH3+])n1 ZINC001172501241 808357707 /nfs/dbraw/zinc/35/77/07/808357707.db2.gz ASPNDUUMRNIJOJ-ZDUSSCGKSA-N 1 1 252.406 3.439 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)C1 ZINC001117706752 802479734 /nfs/dbraw/zinc/47/97/34/802479734.db2.gz NSFBTXJIIPYFAT-QLFBSQMISA-N 1 1 294.402 3.435 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)CC1CCC(O)CC1 ZINC001117738212 802483262 /nfs/dbraw/zinc/48/32/62/802483262.db2.gz BRNZTRWXWFNLSJ-UHFFFAOYSA-N 1 1 259.393 3.226 20 30 CGEDMO CC[N@H+]1CCC[C@H](CNc2cccc(Cl)c2C#N)C1 ZINC001118579392 802585974 /nfs/dbraw/zinc/58/59/74/802585974.db2.gz GUAQKSNHPCFGNU-GFCCVEGCSA-N 1 1 277.799 3.355 20 30 CGEDMO C=CCc1cc(OCC)cc(C[N@H+]2CC[C@@H](CF)C2)c1O ZINC001119332236 802650504 /nfs/dbraw/zinc/65/05/04/802650504.db2.gz UENOSXILTAYIGS-ZDUSSCGKSA-N 1 1 293.382 3.311 20 30 CGEDMO COC[C@@H]([NH2+]Cc1c(C)cc(C#N)cc1C)c1ccco1 ZINC001119728100 802695924 /nfs/dbraw/zinc/69/59/24/802695924.db2.gz AABZBMWSXIOFIZ-MRXNPFEDSA-N 1 1 284.359 3.245 20 30 CGEDMO CC[C@H](C)[C@H]([NH2+]CCCCC1(C#N)CCC1)C(=O)OC ZINC001119811897 802701101 /nfs/dbraw/zinc/70/11/01/802701101.db2.gz LBJHPIRXAHCGRH-KBPBESRZSA-N 1 1 280.412 3.028 20 30 CGEDMO N#Cc1cc(C[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)cs1 ZINC001120058313 802730878 /nfs/dbraw/zinc/73/08/78/802730878.db2.gz SWMYIMNYCWXIMO-UHFFFAOYSA-N 1 1 296.395 3.373 20 30 CGEDMO N#Cc1cc(C[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)cs1 ZINC001120058313 802730883 /nfs/dbraw/zinc/73/08/83/802730883.db2.gz SWMYIMNYCWXIMO-UHFFFAOYSA-N 1 1 296.395 3.373 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2CC2)C1 ZINC001120279573 802738327 /nfs/dbraw/zinc/73/83/27/802738327.db2.gz KEKHOWGSLDEJDJ-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CCC=C)C1 ZINC001120348090 802740292 /nfs/dbraw/zinc/74/02/92/802740292.db2.gz PIFOBSHUULJYIB-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CC(=C)C)C1 ZINC001120348152 802740462 /nfs/dbraw/zinc/74/04/62/802740462.db2.gz QLGWRYJUMDKNKE-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CC(=C)C)C1 ZINC001120348151 802740826 /nfs/dbraw/zinc/74/08/26/802740826.db2.gz QLGWRYJUMDKNKE-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CC)C1 ZINC001120422327 802744969 /nfs/dbraw/zinc/74/49/69/802744969.db2.gz LPYKCQOCUQKRKN-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](C[C@@H](C)CC)C2)C1 ZINC001201499356 811869453 /nfs/dbraw/zinc/86/94/53/811869453.db2.gz KGUMWAFOJORCQI-DOTOQJQBSA-N 1 1 294.439 3.143 20 30 CGEDMO N#C[C@H]1CC=C(c2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC001243795685 803014226 /nfs/dbraw/zinc/01/42/26/803014226.db2.gz DFZVYCYDFBEXSK-HNNXBMFYSA-N 1 1 282.387 3.226 20 30 CGEDMO C=C[C@H](CC)CC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC001124485955 803026218 /nfs/dbraw/zinc/02/62/18/803026218.db2.gz ZMTXPTGTSHQYAT-MRXNPFEDSA-N 1 1 288.435 3.227 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C=C)cc2)C1 ZINC001208809781 813854451 /nfs/dbraw/zinc/85/44/51/813854451.db2.gz UOVACBBLUDDVSF-CRAIPNDOSA-N 1 1 298.430 3.346 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@H](NC(=O)C(C)C)CC[C@@H]1C ZINC001131808307 803348973 /nfs/dbraw/zinc/34/89/73/803348973.db2.gz JUIZUPXFFISSQF-JKSUJKDBSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)CSC(C)C)CC[C@H]1C ZINC001131862966 803353361 /nfs/dbraw/zinc/35/33/61/803353361.db2.gz YZZUQBNSXUVUHO-CABCVRRESA-N 1 1 298.496 3.063 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCC(C)(C)C)C1 ZINC001131895659 803355484 /nfs/dbraw/zinc/35/54/84/803355484.db2.gz LHGPCPKVFLNMBH-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)/C=C\C(C)(C)C)CC[C@@H]1C ZINC001131912415 803358053 /nfs/dbraw/zinc/35/80/53/803358053.db2.gz XJJTYUBWGUYMBC-UMZRIGFJSA-N 1 1 278.440 3.134 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCC2CCC2)CC[C@H]1C ZINC001131943433 803359678 /nfs/dbraw/zinc/35/96/78/803359678.db2.gz PJOKLLPOPFVBQX-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO CC#CC[N@H+]1C[C@H](NC(=O)CCCC(C)(C)C)CC[C@H]1C ZINC001131943064 803359805 /nfs/dbraw/zinc/35/98/05/803359805.db2.gz JMNMVTAHTVKGQR-HZPDHXFCSA-N 1 1 292.467 3.195 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(CC)CC)C1 ZINC001132003515 803366141 /nfs/dbraw/zinc/36/61/41/803366141.db2.gz WNEAZHDJPCRYNC-DOTOQJQBSA-N 1 1 292.467 3.195 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C(C)(C)C(C)C)CC[C@@H]1C ZINC001132065463 803371117 /nfs/dbraw/zinc/37/11/17/803371117.db2.gz USDLVRKSXYUBTC-GJZGRUSLSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H](NC(=O)CCCF)CC[C@H]1C ZINC001132232191 803382764 /nfs/dbraw/zinc/38/27/64/803382764.db2.gz RTBIRCJMHRUJRD-HZPDHXFCSA-N 1 1 298.446 3.452 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCC2CC2)C1 ZINC001132249816 803387551 /nfs/dbraw/zinc/38/75/51/803387551.db2.gz SUXGQGFCIFXBJX-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)C2(CF)CCC2)CC[C@@H]1C ZINC001132313720 803394630 /nfs/dbraw/zinc/39/46/30/803394630.db2.gz CQQSUMBTXIHXDM-GJZGRUSLSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(C)C)C1 ZINC001132331912 803395938 /nfs/dbraw/zinc/39/59/38/803395938.db2.gz QCHGPQFWLFJYII-GJZGRUSLSA-N 1 1 280.456 3.214 20 30 CGEDMO C#CCC[N@H+]1C[C@@H](NC(=O)CCCCC(C)C)CC[C@H]1C ZINC001132368473 803398069 /nfs/dbraw/zinc/39/80/69/803398069.db2.gz NOWLXLQBTQNEGC-SJORKVTESA-N 1 1 292.467 3.195 20 30 CGEDMO C#CC[N@@H+]1C[C@H](NC(=O)C(C)(C)CCCCC)CC[C@H]1C ZINC001132500245 803409505 /nfs/dbraw/zinc/40/95/05/803409505.db2.gz OGDRRFHMVXFVMH-HZPDHXFCSA-N 1 1 292.467 3.195 20 30 CGEDMO C#CC[N@H+]1C[C@H](NC(=O)C(C)(C)CCCCC)CC[C@H]1C ZINC001132500245 803409507 /nfs/dbraw/zinc/40/95/07/803409507.db2.gz OGDRRFHMVXFVMH-HZPDHXFCSA-N 1 1 292.467 3.195 20 30 CGEDMO COc1ccc(-c2cc(C)c3[nH+]ccn3c2)cc1C#N ZINC001244709601 803508651 /nfs/dbraw/zinc/50/86/51/803508651.db2.gz XZPPQMWUNXIHMM-UHFFFAOYSA-N 1 1 263.300 3.190 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2ccc(OCC(F)F)cc2)CC1 ZINC001136939729 803661373 /nfs/dbraw/zinc/66/13/73/803661373.db2.gz RSYMSPWBHAWZPZ-ZDUSSCGKSA-N 1 1 294.345 3.456 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2cccc3cccnc32)CC1 ZINC001137176788 803693876 /nfs/dbraw/zinc/69/38/76/803693876.db2.gz MYMUJRMBJUZRSU-AWEZNQCLSA-N 1 1 265.360 3.360 20 30 CGEDMO CCCCCCCCNC(=O)[C@@H]1CC[N@H+]1C1CCCC1 ZINC001137583422 803742583 /nfs/dbraw/zinc/74/25/83/803742583.db2.gz IFVRDGJCROTUNW-INIZCTEOSA-N 1 1 280.456 3.480 20 30 CGEDMO COc1ccc(C[N@@H+](C)C[C@H]2CC2(C)C)c(C#N)c1 ZINC001137704844 803760455 /nfs/dbraw/zinc/76/04/55/803760455.db2.gz WYCLOHHOQVLSLX-CQSZACIVSA-N 1 1 258.365 3.045 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@@H]2C(C)C)c(C#N)c1 ZINC001137706197 803762986 /nfs/dbraw/zinc/76/29/86/803762986.db2.gz REAUCWDKCDFDQG-MRXNPFEDSA-N 1 1 258.365 3.187 20 30 CGEDMO N#Cc1ccc(-c2cc(N)c(C(F)(F)F)c[nH+]2)cc1 ZINC001245493567 803766519 /nfs/dbraw/zinc/76/65/19/803766519.db2.gz GOOWPMFGIXMSCD-UHFFFAOYSA-N 1 1 263.222 3.221 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc2nccnc12 ZINC001138303364 803890012 /nfs/dbraw/zinc/89/00/12/803890012.db2.gz UQSGGYIDKSIFQE-UHFFFAOYSA-N 1 1 288.354 3.133 20 30 CGEDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)s1 ZINC001138491568 803952073 /nfs/dbraw/zinc/95/20/73/803952073.db2.gz PZNAYCIUCXIMDW-UHFFFAOYSA-N 1 1 285.416 3.318 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)cc1 ZINC001138556319 803965884 /nfs/dbraw/zinc/96/58/84/803965884.db2.gz OYEPFYZTVIDWIS-SJORKVTESA-N 1 1 269.388 3.321 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)cc1 ZINC001138556317 803966828 /nfs/dbraw/zinc/96/68/28/803966828.db2.gz OYEPFYZTVIDWIS-IAGOWNOFSA-N 1 1 269.388 3.321 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCCC(F)(F)[C@@H](F)C2)cc1 ZINC001138556011 803967067 /nfs/dbraw/zinc/96/70/67/803967067.db2.gz AXFJQVKHYUNLCZ-HNNXBMFYSA-N 1 1 297.320 3.268 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCCC(F)(F)[C@@H](F)C2)cc1 ZINC001138556011 803967072 /nfs/dbraw/zinc/96/70/72/803967072.db2.gz AXFJQVKHYUNLCZ-HNNXBMFYSA-N 1 1 297.320 3.268 20 30 CGEDMO C=CCc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c1O ZINC001138624346 803983079 /nfs/dbraw/zinc/98/30/79/803983079.db2.gz FBJUBAQUHRDUAT-GASCZTMLSA-N 1 1 257.377 3.353 20 30 CGEDMO C=CCc1cccc(C[N@@H+](C)Cc2cncs2)c1O ZINC001138629734 803985722 /nfs/dbraw/zinc/98/57/22/803985722.db2.gz HJLLUNGJDCSPTG-UHFFFAOYSA-N 1 1 274.389 3.209 20 30 CGEDMO C=CCC[N@@H+](Cc1cc(C)n(C)n1)Cc1ccccc1 ZINC001138829509 804053312 /nfs/dbraw/zinc/05/33/12/804053312.db2.gz WZCKHEXWYKWZMQ-UHFFFAOYSA-N 1 1 269.392 3.307 20 30 CGEDMO C=CCC[N@H+](Cc1cc(C)n(C)n1)Cc1ccccc1 ZINC001138829509 804053320 /nfs/dbraw/zinc/05/33/20/804053320.db2.gz WZCKHEXWYKWZMQ-UHFFFAOYSA-N 1 1 269.392 3.307 20 30 CGEDMO CCCCCCCC[C@@H](O)CNc1cc[nH+]c(CN)c1 ZINC001245957384 804089378 /nfs/dbraw/zinc/08/93/78/804089378.db2.gz UAXZWUIEYXDOLJ-MRXNPFEDSA-N 1 1 279.428 3.064 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[NH2+]C[C@@H](N)CC ZINC001246005139 804097962 /nfs/dbraw/zinc/09/79/62/804097962.db2.gz QZBVXDOLHJNANI-JKSUJKDBSA-N 1 1 272.477 3.205 20 30 CGEDMO CCCCCCCCCC[C@@H](O)CNC[C@@H]([NH3+])CC ZINC001246005139 804097971 /nfs/dbraw/zinc/09/79/71/804097971.db2.gz QZBVXDOLHJNANI-JKSUJKDBSA-N 1 1 272.477 3.205 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+](CCC)CCOC ZINC001139027416 804112126 /nfs/dbraw/zinc/11/21/26/804112126.db2.gz XYMXXTAAEUKPQK-UHFFFAOYSA-N 1 1 263.381 3.110 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001139032951 804114446 /nfs/dbraw/zinc/11/44/46/804114446.db2.gz XFXVEAHYWYGRGH-SOUVJXGZSA-N 1 1 261.340 3.184 20 30 CGEDMO C=CCOc1ccccc1C[N@H+](CC)C1CCOCC1 ZINC001139029846 804114877 /nfs/dbraw/zinc/11/48/77/804114877.db2.gz ROQDAFPATKSXLD-UHFFFAOYSA-N 1 1 275.392 3.252 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc3c(ccn3C)c2)C1 ZINC001139190391 804153753 /nfs/dbraw/zinc/15/37/53/804153753.db2.gz OSZOLCYZXJAGCU-AWEZNQCLSA-N 1 1 252.361 3.024 20 30 CGEDMO CCCCCCC[C@H](CCC)[NH2+]C[C@]1(O)CCCNC1 ZINC001246232075 804225644 /nfs/dbraw/zinc/22/56/44/804225644.db2.gz QARCBDBLPYWAKK-IRXDYDNUSA-N 1 1 284.488 3.220 20 30 CGEDMO C[C@]1(F)CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001139647317 804243177 /nfs/dbraw/zinc/24/31/77/804243177.db2.gz VXXDAMRTIPFHRY-HNNXBMFYSA-N 1 1 264.319 3.411 20 30 CGEDMO C[N@@H+](CCc1ccncc1)Cc1c[nH]c2c1cccc2C#N ZINC001139703887 804261262 /nfs/dbraw/zinc/26/12/62/804261262.db2.gz WZWPYIQHHJCTPF-UHFFFAOYSA-N 1 1 290.370 3.109 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cccc3ccoc32)no1 ZINC001212324885 815005352 /nfs/dbraw/zinc/00/53/52/815005352.db2.gz ATWKEYYTMMNLRD-ZDUSSCGKSA-N 1 1 281.315 3.286 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cc(C)c(F)cc2F)no1 ZINC001212325082 815006052 /nfs/dbraw/zinc/00/60/52/815006052.db2.gz GGPIMTHJGDEDHX-ZDUSSCGKSA-N 1 1 291.301 3.127 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc3ccccc3n2C)C1 ZINC001139871879 804304077 /nfs/dbraw/zinc/30/40/77/804304077.db2.gz VIROUVYNGKKDNG-AWEZNQCLSA-N 1 1 252.361 3.024 20 30 CGEDMO C[C@]1(F)CCCC[N@H+](Cc2cc(F)cc(C#N)c2)C1 ZINC001139873247 804306184 /nfs/dbraw/zinc/30/61/84/804306184.db2.gz GTZKMRCKJSGQPJ-HNNXBMFYSA-N 1 1 264.319 3.411 20 30 CGEDMO C[C@]1(F)CCCC[N@@H+](Cc2cc(F)cc(C#N)c2)C1 ZINC001139873247 804306193 /nfs/dbraw/zinc/30/61/93/804306193.db2.gz GTZKMRCKJSGQPJ-HNNXBMFYSA-N 1 1 264.319 3.411 20 30 CGEDMO N#Cc1cc(F)cc(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)c1 ZINC001139877354 804308727 /nfs/dbraw/zinc/30/87/27/804308727.db2.gz HCCKVLXITKJRBE-LSDHHAIUSA-N 1 1 258.340 3.319 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1ccccc1-c1cncnc1 ZINC001140018691 804352120 /nfs/dbraw/zinc/35/21/20/804352120.db2.gz FKEUNZNAUHBRTC-UHFFFAOYSA-N 1 1 280.375 3.269 20 30 CGEDMO Cc1nccn1-c1ccccc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001140028409 804355712 /nfs/dbraw/zinc/35/57/12/804355712.db2.gz VIRGMZHVNUHYFF-INIZCTEOSA-N 1 1 294.402 3.306 20 30 CGEDMO N#Cc1ccc2[nH]cc(C[N@H+]3CCC4(CCC4)C3)c2c1 ZINC001140115012 804381598 /nfs/dbraw/zinc/38/15/98/804381598.db2.gz JOBYPFXTMVNJNB-UHFFFAOYSA-N 1 1 265.360 3.416 20 30 CGEDMO COC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC001140139530 804386378 /nfs/dbraw/zinc/38/63/78/804386378.db2.gz UXOSXIUDLYBPIA-HNNXBMFYSA-N 1 1 276.355 3.087 20 30 CGEDMO COCC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1F ZINC001140137770 804387567 /nfs/dbraw/zinc/38/75/67/804387567.db2.gz YHQANYXTCIPNTO-HNNXBMFYSA-N 1 1 276.355 3.088 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)c(C)cc1O ZINC001140201638 804400650 /nfs/dbraw/zinc/40/06/50/804400650.db2.gz UISZQZCTAQDJSE-AWEZNQCLSA-N 1 1 258.365 3.135 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CCC(F)(F)[C@H](N)C1 ZINC001246584844 804427331 /nfs/dbraw/zinc/42/73/31/804427331.db2.gz VFIGWVUJDVBQNK-QWHCGFSZSA-N 1 1 262.388 3.404 20 30 CGEDMO N#CCC1C[NH+](Cc2c[nH]c3cccc(Cl)c23)C1 ZINC001140434079 804433082 /nfs/dbraw/zinc/43/30/82/804433082.db2.gz YSYKCZGAKLTJOR-UHFFFAOYSA-N 1 1 259.740 3.167 20 30 CGEDMO CCCCCCCCC[C@@H](C)[N@H+]1CCN[C@@H](COC)C1 ZINC001246594712 804435217 /nfs/dbraw/zinc/43/52/17/804435217.db2.gz RBANAKXVDWIUBV-IAGOWNOFSA-N 1 1 284.488 3.436 20 30 CGEDMO CCCCCCCCC[C@@H](C)[N@@H+]1CCNC[C@H]1COC ZINC001246592620 804435751 /nfs/dbraw/zinc/43/57/51/804435751.db2.gz GFMKWNMLLJNKAH-SJORKVTESA-N 1 1 284.488 3.436 20 30 CGEDMO CCCCCCCCC[C@@H](C)[N@H+]1CCNC[C@H]1COC ZINC001246592620 804435752 /nfs/dbraw/zinc/43/57/52/804435752.db2.gz GFMKWNMLLJNKAH-SJORKVTESA-N 1 1 284.488 3.436 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CCN[C@@H](COC)C1 ZINC001246595544 804436922 /nfs/dbraw/zinc/43/69/22/804436922.db2.gz TULIGIHDSGSVTA-CVEARBPZSA-N 1 1 270.461 3.046 20 30 CGEDMO CCCCCCCCCC[C@@H](C)[N@H+]1CCNC[C@@H](O)C1 ZINC001246598152 804437605 /nfs/dbraw/zinc/43/76/05/804437605.db2.gz GYYYDCMNZMHABW-IAGOWNOFSA-N 1 1 284.488 3.172 20 30 CGEDMO CCCCCCCCCC[C@@H](C)N1CC[NH2+]C[C@@H](O)C1 ZINC001246598152 804437608 /nfs/dbraw/zinc/43/76/08/804437608.db2.gz GYYYDCMNZMHABW-IAGOWNOFSA-N 1 1 284.488 3.172 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CC[C@H](N)[C@@H](F)CC1 ZINC001246596072 804437634 /nfs/dbraw/zinc/43/76/34/804437634.db2.gz YTVBSSLKCZWWPZ-KKUMJFAQSA-N 1 1 258.425 3.497 20 30 CGEDMO CCCCCCC[C@@H](CCC)[NH+]1CC2(C1)CNCCO2 ZINC001246617613 804452010 /nfs/dbraw/zinc/45/20/10/804452010.db2.gz CTTLBBKRTMVNJM-MRXNPFEDSA-N 1 1 282.472 3.190 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)nc1)Cc1cccc(F)c1 ZINC001140545877 804457662 /nfs/dbraw/zinc/45/76/62/804457662.db2.gz NXAGYLQHYRGUTO-UHFFFAOYSA-N 1 1 269.323 3.114 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)cn1 ZINC001140543604 804458847 /nfs/dbraw/zinc/45/88/47/804458847.db2.gz CSUNHLIBKAKSTH-GDBMZVCRSA-N 1 1 255.365 3.108 20 30 CGEDMO N#Cc1ccc(Cl)c(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)c1 ZINC001140600599 804471463 /nfs/dbraw/zinc/47/14/63/804471463.db2.gz PQDYARMNYNVLRJ-CZUORRHYSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1ccc(Cl)c(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)c1 ZINC001140600599 804471465 /nfs/dbraw/zinc/47/14/65/804471465.db2.gz PQDYARMNYNVLRJ-CZUORRHYSA-N 1 1 290.794 3.213 20 30 CGEDMO CCCCCCC[C@@H](C)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001246645984 804473752 /nfs/dbraw/zinc/47/37/52/804473752.db2.gz FLDNRGXBRVPKIG-OAGGEKHMSA-N 1 1 252.446 3.277 20 30 CGEDMO CCCCCCC[C@H](CC)[N@@H+]1CCO[C@H]2CNCC[C@@H]21 ZINC001246664220 804486323 /nfs/dbraw/zinc/48/63/23/804486323.db2.gz LRZOLMPDTDWLCJ-ULQDDVLXSA-N 1 1 282.472 3.188 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CCO[C@H]2CNCC[C@@H]21 ZINC001246664220 804486326 /nfs/dbraw/zinc/48/63/26/804486326.db2.gz LRZOLMPDTDWLCJ-ULQDDVLXSA-N 1 1 282.472 3.188 20 30 CGEDMO N#CC1(c2ccccc2F)CC[NH+](Cc2cc[nH]c2)CC1 ZINC001140710480 804494380 /nfs/dbraw/zinc/49/43/80/804494380.db2.gz JAVMMCODZCCOSE-UHFFFAOYSA-N 1 1 283.350 3.211 20 30 CGEDMO CCCCCCC[C@@H](CC(C)C)[N@H+]1CCN[C@@H](CO)C1 ZINC001246797991 804518722 /nfs/dbraw/zinc/51/87/22/804518722.db2.gz QIVUALQSZPWTNH-SJORKVTESA-N 1 1 284.488 3.028 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2cccc(C#N)c2Cl)CC[C@@]1(C)O ZINC001140808250 804525369 /nfs/dbraw/zinc/52/53/69/804525369.db2.gz NORONLKCQBYPPI-BLLLJJGKSA-N 1 1 292.810 3.195 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(N(CC)CC)cc2O)C1 ZINC001140856161 804533987 /nfs/dbraw/zinc/53/39/87/804533987.db2.gz SAHHHICWZWYEIC-OAHLLOKOSA-N 1 1 286.419 3.084 20 30 CGEDMO CCCCCCC[C@H](CCC)[N@@H+]1CCN[C@H](C#N)C1 ZINC001246832897 804541744 /nfs/dbraw/zinc/54/17/44/804541744.db2.gz CVGUYHLGUIEYHA-CVEARBPZSA-N 1 1 265.445 3.313 20 30 CGEDMO CCCCCCC[C@H](CCC)[N@H+]1CCN[C@H](C#N)C1 ZINC001246832897 804541749 /nfs/dbraw/zinc/54/17/49/804541749.db2.gz CVGUYHLGUIEYHA-CVEARBPZSA-N 1 1 265.445 3.313 20 30 CGEDMO CC(C)(C)OC(=O)O[C@@H]1CC[N@H+](C2CCC(C#N)CC2)C1 ZINC001256965646 807019272 /nfs/dbraw/zinc/01/92/72/807019272.db2.gz WLVBODRAHLHDLV-JXQTWKCFSA-N 1 1 294.395 3.095 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CC[C@H]2COC[C@@H](C1)N2 ZINC001246855133 804563053 /nfs/dbraw/zinc/56/30/53/804563053.db2.gz SRERVDOEZSCEIC-GVDBMIGSSA-N 1 1 282.472 3.188 20 30 CGEDMO N#CC1CCC([N@H+]2CCOC[C@H]2Cc2ccccc2)CC1 ZINC001256971139 807021181 /nfs/dbraw/zinc/02/11/81/807021181.db2.gz CRAUFEDMGTWSRH-DAWZGUTISA-N 1 1 284.403 3.012 20 30 CGEDMO CCC[N@@H+](CCc1ccccn1)C1CCC(C#N)CC1 ZINC001256972570 807021257 /nfs/dbraw/zinc/02/12/57/807021257.db2.gz CMWDBSLEVBHZEM-UHFFFAOYSA-N 1 1 271.408 3.418 20 30 CGEDMO CC1(C)CCC[N@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141108956 804591584 /nfs/dbraw/zinc/59/15/84/804591584.db2.gz KILLRWDQJLIVRG-UHFFFAOYSA-N 1 1 269.801 3.230 20 30 CGEDMO CC[C@@H]1C[C@H](N(C)Cc2cccc(C#N)c2)C[C@H](CC)[NH2+]1 ZINC001246907207 804591832 /nfs/dbraw/zinc/59/18/32/804591832.db2.gz IPIDIYFQQOOPMB-PIIMJCKOSA-N 1 1 285.435 3.299 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2sc(N)c(C#N)c2Cl)[C@@H](C)C1 ZINC001141114289 804592251 /nfs/dbraw/zinc/59/22/51/804592251.db2.gz KRLCAICYIVSMOC-IUCAKERBSA-N 1 1 283.828 3.476 20 30 CGEDMO COc1ccc2nccc(C[N@H+]3CCC[C@H](C#N)CC3)c2c1 ZINC001141150684 804598167 /nfs/dbraw/zinc/59/81/67/804598167.db2.gz KBUGEMYHAADSJE-AWEZNQCLSA-N 1 1 295.386 3.369 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1ccc(-c2ncccn2)cc1 ZINC001141188384 804606305 /nfs/dbraw/zinc/60/63/05/804606305.db2.gz FSWCBPRRLCYGMY-UHFFFAOYSA-N 1 1 280.375 3.269 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1ccc(-c2ncccn2)cc1 ZINC001141188384 804606307 /nfs/dbraw/zinc/60/63/07/804606307.db2.gz FSWCBPRRLCYGMY-UHFFFAOYSA-N 1 1 280.375 3.269 20 30 CGEDMO CSc1nc(C[N@H+]2CCC[C@@H](C)[C@H]2C)ccc1C#N ZINC001141939802 804680131 /nfs/dbraw/zinc/68/01/31/804680131.db2.gz UKXPFFMGVJZCFK-VXGBXAGGSA-N 1 1 275.421 3.296 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2c(C)onc2-c2ccccc2)C1 ZINC001141990632 804686777 /nfs/dbraw/zinc/68/67/77/804686777.db2.gz MBGXIJLNIYXOAM-HNNXBMFYSA-N 1 1 280.371 3.495 20 30 CGEDMO CC(C)(C)c1nc[nH]c1C[N@@H+]1CCc2cc(C#N)ccc2C1 ZINC001142213186 804704368 /nfs/dbraw/zinc/70/43/68/804704368.db2.gz QLGVJMFUAZGJLW-UHFFFAOYSA-N 1 1 294.402 3.137 20 30 CGEDMO CC(C)(C)c1nc[nH]c1C[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001142213186 804704374 /nfs/dbraw/zinc/70/43/74/804704374.db2.gz QLGVJMFUAZGJLW-UHFFFAOYSA-N 1 1 294.402 3.137 20 30 CGEDMO C=CC[N@H+](Cc1cnc(Cl)nc1NC)C1CCCCC1 ZINC001142498758 804726597 /nfs/dbraw/zinc/72/65/97/804726597.db2.gz FGFVEDCGMUAZCU-UHFFFAOYSA-N 1 1 294.830 3.492 20 30 CGEDMO N#Cc1ccc(-c2noc(C[NH2+]C3CC3)n2)c2ccccc12 ZINC001247464823 804746141 /nfs/dbraw/zinc/74/61/41/804746141.db2.gz ZWSNGOYONPZFIQ-UHFFFAOYSA-N 1 1 290.326 3.013 20 30 CGEDMO CC1CC([N@@H+](C)Cc2c[nH]c3cc(C#N)ccc23)C1 ZINC001142911715 804781774 /nfs/dbraw/zinc/78/17/74/804781774.db2.gz GXRBHHGLLUIEDB-UHFFFAOYSA-N 1 1 253.349 3.270 20 30 CGEDMO N#Cc1ccc2c(C[N@H+]3CCCC34CC4)c[nH]c2c1 ZINC001142912054 804783697 /nfs/dbraw/zinc/78/36/97/804783697.db2.gz STGCTBNTEMYZIO-UHFFFAOYSA-N 1 1 251.333 3.168 20 30 CGEDMO CCN(CC)CC[N@H+](CC)Cc1c[nH]c2cc(C#N)ccc12 ZINC001142921125 804784299 /nfs/dbraw/zinc/78/42/99/804784299.db2.gz HWEFRYJJVZRCJE-UHFFFAOYSA-N 1 1 298.434 3.203 20 30 CGEDMO CCN(CC)CC[N@@H+](CC)Cc1c[nH]c2cc(C#N)ccc12 ZINC001142921125 804784303 /nfs/dbraw/zinc/78/43/03/804784303.db2.gz HWEFRYJJVZRCJE-UHFFFAOYSA-N 1 1 298.434 3.203 20 30 CGEDMO COCC[C@@H]1CCCC[N@H+]1Cc1c[nH]c2cc(C#N)ccc12 ZINC001142921699 804784557 /nfs/dbraw/zinc/78/45/57/804784557.db2.gz SWLJVUHELLKYEL-INIZCTEOSA-N 1 1 297.402 3.431 20 30 CGEDMO COc1cc(C)cc(OC)c1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001143143486 804808730 /nfs/dbraw/zinc/80/87/30/804808730.db2.gz QWAPPFVMXZMUHJ-AWEZNQCLSA-N 1 1 288.391 3.138 20 30 CGEDMO COc1cc(C)cc(C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC001143156095 804811692 /nfs/dbraw/zinc/81/16/92/804811692.db2.gz DJGJYPZJHVCGSU-CQSZACIVSA-N 1 1 258.365 3.129 20 30 CGEDMO C[C@@H]1CCC[N@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143163709 804813531 /nfs/dbraw/zinc/81/35/31/804813531.db2.gz KUHZGHIGPYKKHN-SNVBAGLBSA-N 1 1 250.292 3.068 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143163709 804813538 /nfs/dbraw/zinc/81/35/38/804813538.db2.gz KUHZGHIGPYKKHN-SNVBAGLBSA-N 1 1 250.292 3.068 20 30 CGEDMO CCOCC1CC[NH+](Cc2c(F)ccc(C#N)c2F)CC1 ZINC001143173820 804814353 /nfs/dbraw/zinc/81/43/53/804814353.db2.gz GAAKHCUAAAMROW-UHFFFAOYSA-N 1 1 294.345 3.085 20 30 CGEDMO C[N@@H+](Cc1cc2cccnc2[nH]1)Cc1cccc(C#N)c1 ZINC001143228608 804825931 /nfs/dbraw/zinc/82/59/31/804825931.db2.gz HAGYPLGBFHDGJE-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(F)c(OC)c1F ZINC001143321795 804835310 /nfs/dbraw/zinc/83/53/10/804835310.db2.gz OIFDOMRCOLBACA-UHFFFAOYSA-N 1 1 255.308 3.371 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2cccc(C)c2Cl)no1 ZINC001247966822 804858431 /nfs/dbraw/zinc/85/84/31/804858431.db2.gz GTKIRFLJENJZMW-JTQLQIEISA-N 1 1 263.728 3.274 20 30 CGEDMO C[C@H]1CC[N@H+](Cc2c(Cl)cccc2C#N)CC[C@@]1(C)O ZINC001143716261 804887911 /nfs/dbraw/zinc/88/79/11/804887911.db2.gz JMPAHSGTGKMUEV-BLLLJJGKSA-N 1 1 292.810 3.195 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2c(Cl)cccc2C#N)CC[C@@]1(C)O ZINC001143716261 804887919 /nfs/dbraw/zinc/88/79/19/804887919.db2.gz JMPAHSGTGKMUEV-BLLLJJGKSA-N 1 1 292.810 3.195 20 30 CGEDMO C=CC[N@H+](C)Cc1cc(F)c(OCC)c(Cl)c1 ZINC001143741965 804890800 /nfs/dbraw/zinc/89/08/00/804890800.db2.gz YAUJWRSWYIGSOA-UHFFFAOYSA-N 1 1 257.736 3.496 20 30 CGEDMO C[NH+](C)C1(C)CN(C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257018713 807029011 /nfs/dbraw/zinc/02/90/11/807029011.db2.gz CDUOAWLUOZKDFX-UHFFFAOYSA-N 1 1 297.446 3.220 20 30 CGEDMO CN1CC[C@H]([N@@H+](C)C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257020541 807030222 /nfs/dbraw/zinc/03/02/22/807030222.db2.gz GWQCSRFEDVUBGB-ACBHZAAOSA-N 1 1 297.446 3.220 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CC[C@H](Cc3ccccc3)C2)c1 ZINC001144079838 804934188 /nfs/dbraw/zinc/93/41/88/804934188.db2.gz KPOQHRZITHKQOV-MRXNPFEDSA-N 1 1 277.371 3.018 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cn1)Cc1cccc2cccnc21 ZINC001144163152 804946669 /nfs/dbraw/zinc/94/66/69/804946669.db2.gz PSDBDNGTYQWAPM-UHFFFAOYSA-N 1 1 288.354 3.133 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCCC[C@H](F)C1 ZINC001248748678 804982612 /nfs/dbraw/zinc/98/26/12/804982612.db2.gz RXYKKXQVKOWEJI-INIZCTEOSA-N 1 1 260.356 3.445 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCC[C@@](C)(O)[C@@H](C)C1 ZINC001248748725 804982980 /nfs/dbraw/zinc/98/29/80/804982980.db2.gz UMEUDUQSVGEDBO-KBXCAEBGSA-N 1 1 286.419 3.104 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+](CC)C1CCN(C)CC1 ZINC001248751107 804984402 /nfs/dbraw/zinc/98/44/02/804984402.db2.gz JKEMNDRJFNAPAU-UHFFFAOYSA-N 1 1 285.435 3.037 20 30 CGEDMO COc1ccc2c(OC)ccc(C[NH+]3CC(CC#N)C3)c2c1 ZINC001248825814 805010508 /nfs/dbraw/zinc/01/05/08/805010508.db2.gz SMICYRMFVHIWRX-UHFFFAOYSA-N 1 1 296.370 3.202 20 30 CGEDMO CC(C)Sc1nccc(C[N@@H+]2CCC[C@@H](C#N)CC2)n1 ZINC001248832641 805011418 /nfs/dbraw/zinc/01/14/18/805011418.db2.gz WPINPUVDJJPHFJ-CYBMUJFWSA-N 1 1 290.436 3.103 20 30 CGEDMO CC(C)Sc1nccc(C[N@H+]2CCC[C@@H](C#N)CC2)n1 ZINC001248832641 805011427 /nfs/dbraw/zinc/01/14/27/805011427.db2.gz WPINPUVDJJPHFJ-CYBMUJFWSA-N 1 1 290.436 3.103 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC[C@H](Oc3ccncc3)C2)cc1 ZINC001144581287 805011748 /nfs/dbraw/zinc/01/17/48/805011748.db2.gz OODBURNJVSXZGG-IBGZPJMESA-N 1 1 292.382 3.106 20 30 CGEDMO Cc1cc(-c2noc([C@@H]3CC[N@H+](C(C)C)C3)n2)ccc1C#N ZINC001248961199 805058243 /nfs/dbraw/zinc/05/82/43/805058243.db2.gz LSLCKUIXZPLRAC-OAHLLOKOSA-N 1 1 296.374 3.114 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)CCCCC)C2)C1 ZINC001147009174 805103431 /nfs/dbraw/zinc/10/34/31/805103431.db2.gz FIMBYRRZVKYDCL-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)CC3CCC3)C2)C1 ZINC001147281200 805118938 /nfs/dbraw/zinc/11/89/38/805118938.db2.gz IARDVPXOPISJAN-HNNXBMFYSA-N 1 1 290.451 3.066 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001249252720 805121406 /nfs/dbraw/zinc/12/14/06/805121406.db2.gz RXKZRJGYLNGQTG-AWEZNQCLSA-N 1 1 297.398 3.422 20 30 CGEDMO CC[C@H](C)c1nn(C)cc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC001249406936 805141130 /nfs/dbraw/zinc/14/11/30/805141130.db2.gz XBSYXOBZBSEXEU-AWEZNQCLSA-N 1 1 296.418 3.437 20 30 CGEDMO CC[C@H](C)c1nn(C)cc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001249406936 805141133 /nfs/dbraw/zinc/14/11/33/805141133.db2.gz XBSYXOBZBSEXEU-AWEZNQCLSA-N 1 1 296.418 3.437 20 30 CGEDMO CC[C@@H](C)c1nn(C)cc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001249407273 805141203 /nfs/dbraw/zinc/14/12/03/805141203.db2.gz DWUHYVOXKUMIOE-ZIAGYGMSSA-N 1 1 274.412 3.059 20 30 CGEDMO C[C@@]1(CO)CCC[N@@H+](Cc2cc3ccc(C#N)cc3[nH]2)CC1 ZINC001249426986 805146306 /nfs/dbraw/zinc/14/63/06/805146306.db2.gz MWJJGFNRPHBJST-GOSISDBHSA-N 1 1 297.402 3.024 20 30 CGEDMO CC[N@@H+](Cc1cc2ccc(C#N)cc2[nH]1)C1CCOCC1 ZINC001249429128 805146638 /nfs/dbraw/zinc/14/66/38/805146638.db2.gz ONFVVAHYPNVYPR-UHFFFAOYSA-N 1 1 283.375 3.040 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cc3ccc(C#N)cc3[nH]2)CCC[C@@]1(C)O ZINC001249426952 805147656 /nfs/dbraw/zinc/14/76/56/805147656.db2.gz LZKRTFIMBMGCPP-SCLBCKFNSA-N 1 1 297.402 3.022 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)C(C)(C)C=C)C2)C1 ZINC001148025092 805160885 /nfs/dbraw/zinc/16/08/85/805160885.db2.gz TWQVZFUEJAJHIR-HNNXBMFYSA-N 1 1 290.451 3.088 20 30 CGEDMO C#CC1CC[NH+](Cc2cnc(C)cc2C(F)(F)F)CC1 ZINC001249515890 805163450 /nfs/dbraw/zinc/16/34/50/805163450.db2.gz UXIGIVIJRKLRMF-UHFFFAOYSA-N 1 1 282.309 3.254 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C)CC(=C)C)C2)C1 ZINC001148130134 805164273 /nfs/dbraw/zinc/16/42/73/805164273.db2.gz KWUDDHLXWGJPAE-INIZCTEOSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](C[C@@H](C)CC)C2 ZINC001148131953 805164819 /nfs/dbraw/zinc/16/48/19/805164819.db2.gz WVSOXQMAZAKLIN-JKSUJKDBSA-N 1 1 292.467 3.169 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2cc(F)cc3cc[nH]c32)C1 ZINC001249525077 805165277 /nfs/dbraw/zinc/16/52/77/805165277.db2.gz XUBRHTDHHQTITM-LBPRGKRZSA-N 1 1 271.339 3.433 20 30 CGEDMO C=CCCCC(=O)N1CC2(C1)CC[N@H+](CC/C=C/CC)C2 ZINC001148200056 805167992 /nfs/dbraw/zinc/16/79/92/805167992.db2.gz ZQTOUDLGUDWIDC-FNORWQNLSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(CN(C(=O)CCCC(C)C)C2)C1 ZINC001148343216 805175967 /nfs/dbraw/zinc/17/59/67/805175967.db2.gz QOPMZJPNOPELIX-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)c1cccs1 ZINC001151660317 805306999 /nfs/dbraw/zinc/30/69/99/805306999.db2.gz YQWWZKRVULIYGC-CYBMUJFWSA-N 1 1 280.437 3.155 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)C(C)C ZINC001152339101 805346470 /nfs/dbraw/zinc/34/64/70/805346470.db2.gz AYRYBKSVMKDIIH-JKSUJKDBSA-N 1 1 282.472 3.461 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)CCCC(C)(C)C ZINC001152378524 805347704 /nfs/dbraw/zinc/34/77/04/805347704.db2.gz CHKGRMSSRWRMIR-OAHLLOKOSA-N 1 1 280.456 3.053 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)/C=C(/C)CC ZINC001153240565 805389290 /nfs/dbraw/zinc/38/92/90/805389290.db2.gz DXYRIJVDJGMMGF-IKESIWSLSA-N 1 1 266.429 3.136 20 30 CGEDMO C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)c1cc[nH]c1 ZINC001153522018 805402077 /nfs/dbraw/zinc/40/20/77/805402077.db2.gz UYFPFZZWXIXHHO-OAHLLOKOSA-N 1 1 291.439 3.201 20 30 CGEDMO C=CCC(CC=C)C(=O)NC[C@@H](C)[N@@H+](CC)C/C=C\Cl ZINC001153561306 805402719 /nfs/dbraw/zinc/40/27/19/805402719.db2.gz KIISYOOOLVDHFU-KOTGUFOOSA-N 1 1 298.858 3.334 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)CC(F)F ZINC001153787925 805416308 /nfs/dbraw/zinc/41/63/08/805416308.db2.gz MRMUQSLORUQKOU-OLZOCXBDSA-N 1 1 290.398 3.071 20 30 CGEDMO COc1cc(F)c(C)cc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001250109184 805422141 /nfs/dbraw/zinc/42/21/41/805422141.db2.gz JJRPQGVLZVJKSN-XMQYKBBCSA-N 1 1 288.366 3.409 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)CC1(C)CCCCC1 ZINC001154262931 805445109 /nfs/dbraw/zinc/44/51/09/805445109.db2.gz RUMRILNRWAYREB-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001154415548 805455206 /nfs/dbraw/zinc/45/52/06/805455206.db2.gz SBXMSTFJXLQGGP-VQHPVUNQSA-N 1 1 292.467 3.215 20 30 CGEDMO CC#CCCCC(=O)NC[C@@H](C)[N@H+](CC)CCCCC ZINC001154747458 805483603 /nfs/dbraw/zinc/48/36/03/805483603.db2.gz RDMXVNXTFFJXMF-MRXNPFEDSA-N 1 1 280.456 3.197 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1occc1C(C)C ZINC001154838159 805495433 /nfs/dbraw/zinc/49/54/33/805495433.db2.gz QMZCCYQLLCIBKH-CYBMUJFWSA-N 1 1 278.396 3.029 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1ccccc1CC ZINC001154898380 805506217 /nfs/dbraw/zinc/50/62/17/805506217.db2.gz KUVFKAAVNQIAEE-OAHLLOKOSA-N 1 1 288.435 3.265 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H](C)[N@H+](CC)C[C@H](F)CC)CC1 ZINC001155028140 805526012 /nfs/dbraw/zinc/52/60/12/805526012.db2.gz OSEMJKYAHXILTJ-GDBMZVCRSA-N 1 1 298.446 3.308 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)c1occc1CC ZINC001155061916 805531095 /nfs/dbraw/zinc/53/10/95/805531095.db2.gz MFHJRJZWFXEQGT-GFCCVEGCSA-N 1 1 298.814 3.035 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)c1occc1CC ZINC001155061916 805531102 /nfs/dbraw/zinc/53/11/02/805531102.db2.gz MFHJRJZWFXEQGT-GFCCVEGCSA-N 1 1 298.814 3.035 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H](C)[N@H+](CC)C[C@H](F)CC)CCC1 ZINC001155062123 805531710 /nfs/dbraw/zinc/53/17/10/805531710.db2.gz XKLAASNMDSOKHC-HUUCEWRRSA-N 1 1 298.446 3.308 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001155141118 805544382 /nfs/dbraw/zinc/54/43/82/805544382.db2.gz FAKURRWTQNIPFW-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO Cc1nc(NCC[C@H]2CCC[N@H+](C)C2)c(C#N)c(C)c1C ZINC001165273519 806984059 /nfs/dbraw/zinc/98/40/59/806984059.db2.gz RZTZRHLFABJIDX-OAHLLOKOSA-N 1 1 286.423 3.022 20 30 CGEDMO Cc1cn2cc(Nc3ccccc3OCC#N)ccc2[nH+]1 ZINC001212598398 815082375 /nfs/dbraw/zinc/08/23/75/815082375.db2.gz SIICBVVLLRJHGJ-UHFFFAOYSA-N 1 1 278.315 3.289 20 30 CGEDMO N#Cc1ccc(C2CCC([N@@H+]3CCCC[C@@H]3CO)CC2)cc1 ZINC001257015223 807028138 /nfs/dbraw/zinc/02/81/38/807028138.db2.gz GOJBQRXMGXBKOG-CTWPCTMYSA-N 1 1 298.430 3.431 20 30 CGEDMO C=CC[N@H+]([C@H]1CC[C@@H](C(=O)OCC)C1)C(C)(C)C ZINC001257067458 807040570 /nfs/dbraw/zinc/04/05/70/807040570.db2.gz FLOFLAHFUKKRPB-OLZOCXBDSA-N 1 1 253.386 3.005 20 30 CGEDMO Cc1[nH+]c(N2CC(c3ccccc3)C2)ccc1CC#N ZINC001167065115 807141880 /nfs/dbraw/zinc/14/18/80/807141880.db2.gz NRFWKPDDAQFSHX-UHFFFAOYSA-N 1 1 263.344 3.060 20 30 CGEDMO CC[C@H](C)[N@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001257443560 807159422 /nfs/dbraw/zinc/15/94/22/807159422.db2.gz OLCSZMMKTKVQCE-DZGCQCFKSA-N 1 1 258.365 3.200 20 30 CGEDMO C=CCCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001167341799 807184769 /nfs/dbraw/zinc/18/47/69/807184769.db2.gz LDVSVAGUXCXRNR-CQSZACIVSA-N 1 1 282.428 3.284 20 30 CGEDMO C[C@H](Nc1cc[nH+]c(N2CCCC2)n1)c1cccc(C#N)c1 ZINC001167707391 807231243 /nfs/dbraw/zinc/23/12/43/807231243.db2.gz SSZDHQMESLSSPP-ZDUSSCGKSA-N 1 1 293.374 3.122 20 30 CGEDMO C[C@H](Nc1nc2c(ccn2C)c[nH+]1)c1cccc(C#N)c1 ZINC001167708594 807231274 /nfs/dbraw/zinc/23/12/74/807231274.db2.gz IAEZRIURHNDCEY-NSHDSACASA-N 1 1 277.331 3.013 20 30 CGEDMO CC(C)OC1CCC([N@H+]2CCC[C@H](C#N)CC2)CC1 ZINC001257882941 807236649 /nfs/dbraw/zinc/23/66/49/807236649.db2.gz IQWXAOZQOBBUPU-FHERZECASA-N 1 1 264.413 3.348 20 30 CGEDMO C=C1C[C@@H]2CC([NH+]3C[C@H]4CC[N@H+](C)C[C@H]4C3)C[C@H](C1)C2 ZINC001257891421 807241313 /nfs/dbraw/zinc/24/13/13/807241313.db2.gz LNZPPACJISVYTR-WXCOAYGQSA-N 1 1 274.452 3.005 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)C[C@H](C1)C2 ZINC001257891421 807241315 /nfs/dbraw/zinc/24/13/15/807241315.db2.gz LNZPPACJISVYTR-WXCOAYGQSA-N 1 1 274.452 3.005 20 30 CGEDMO N#C[C@H]1CCC[N@@H+]([C@@H]2COc3ccc(Cl)cc3C2)CC1 ZINC001257968370 807259163 /nfs/dbraw/zinc/25/91/63/807259163.db2.gz LEVYPCPJPJHLJC-WFASDCNBSA-N 1 1 290.794 3.269 20 30 CGEDMO N#C[C@H]1CCC[N@H+]([C@@H]2COc3ccc(Cl)cc3C2)CC1 ZINC001257968370 807259167 /nfs/dbraw/zinc/25/91/67/807259167.db2.gz LEVYPCPJPJHLJC-WFASDCNBSA-N 1 1 290.794 3.269 20 30 CGEDMO C#Cc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167968952 807288878 /nfs/dbraw/zinc/28/88/78/807288878.db2.gz XJATXPJVOPIKGV-IHWFROFDSA-N 1 1 294.442 3.163 20 30 CGEDMO C#Cc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167968952 807288886 /nfs/dbraw/zinc/28/88/86/807288886.db2.gz XJATXPJVOPIKGV-IHWFROFDSA-N 1 1 294.442 3.163 20 30 CGEDMO C=C(C)C(=O)OCCNc1ccc2c(C)cc[nH+]c2c1 ZINC001168074236 807305331 /nfs/dbraw/zinc/30/53/31/807305331.db2.gz XPGTXIYLSFSYBT-UHFFFAOYSA-N 1 1 270.332 3.074 20 30 CGEDMO C=CCc1cc(C)c[nH+]c1NCC1(F)CCOCC1 ZINC001168125358 807314955 /nfs/dbraw/zinc/31/49/55/807314955.db2.gz XFWOWOPVTZJGRU-UHFFFAOYSA-N 1 1 264.344 3.049 20 30 CGEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](C1CCC(C)CC1)C2 ZINC001168216958 807352913 /nfs/dbraw/zinc/35/29/13/807352913.db2.gz GEVBTENWHKDPOD-ZGUYJTEBSA-N 1 1 293.451 3.391 20 30 CGEDMO CCCCCCCCC[C@H](C)[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC001258228687 807376596 /nfs/dbraw/zinc/37/65/96/807376596.db2.gz JNHUDOQXCCPDQM-ULQDDVLXSA-N 1 1 285.472 3.191 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH2+][C@H]1CCCC(C)(C)C1)C(=O)OCC ZINC001258278165 807392117 /nfs/dbraw/zinc/39/21/17/807392117.db2.gz RHBLPPQGSNSNAE-DVOMOZLQSA-N 1 1 265.397 3.053 20 30 CGEDMO CC[N@@H+](CCC#N)[C@@H](C)CCc1ccc(OC)cc1 ZINC001258401770 807441974 /nfs/dbraw/zinc/44/19/74/807441974.db2.gz BKYSWKDNEFZJFH-AWEZNQCLSA-N 1 1 260.381 3.252 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@H+]([C@H]3CCC(C)(C)C3)C2)C1=O ZINC001258599911 807499680 /nfs/dbraw/zinc/49/96/80/807499680.db2.gz DRRTTZILLXGYTC-YJBOKZPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCCCC1 ZINC001169047108 807558510 /nfs/dbraw/zinc/55/85/10/807558510.db2.gz QSDAMCMPADCLGU-HIFRSBDPSA-N 1 1 266.385 3.253 20 30 CGEDMO C=CCC[C@H](C)[NH+]1CCC(N)(c2ccc(F)cc2)CC1 ZINC001258722903 807571157 /nfs/dbraw/zinc/57/11/57/807571157.db2.gz OWELBZXVJGSVGO-AWEZNQCLSA-N 1 1 276.399 3.430 20 30 CGEDMO CN1[C@@H]2CC[C@H]1C[C@H]([NH2+]C(C)(C)c1ccc(C#N)cc1)C2 ZINC001169091173 807571848 /nfs/dbraw/zinc/57/18/48/807571848.db2.gz OPZAXCIJKCJJMM-OSYLJGHBSA-N 1 1 283.419 3.008 20 30 CGEDMO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC(C)(C)c1ccc(C#N)cc1)C2 ZINC001169091173 807571851 /nfs/dbraw/zinc/57/18/51/807571851.db2.gz OPZAXCIJKCJJMM-OSYLJGHBSA-N 1 1 283.419 3.008 20 30 CGEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC(C)(C)c1ccc(C#N)cc1)C2 ZINC001169091173 807571856 /nfs/dbraw/zinc/57/18/56/807571856.db2.gz OPZAXCIJKCJJMM-OSYLJGHBSA-N 1 1 283.419 3.008 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCc2cc3c(cc2C1)OCO3 ZINC001258725858 807573926 /nfs/dbraw/zinc/57/39/26/807573926.db2.gz NRBFKDXHADTMDQ-LBPRGKRZSA-N 1 1 259.349 3.128 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCc2ncnc(-c3ccoc3)c2CC1 ZINC001258730071 807576187 /nfs/dbraw/zinc/57/61/87/807576187.db2.gz AMTFZOJLXUPRDW-AWEZNQCLSA-N 1 1 297.402 3.492 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@]2(C[C@H](OCC)CO2)C1 ZINC001258729561 807576700 /nfs/dbraw/zinc/57/67/00/807576700.db2.gz WPTSZDIBGFSCGY-HRCADAONSA-N 1 1 267.413 3.001 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001258731722 807577344 /nfs/dbraw/zinc/57/73/44/807577344.db2.gz CPVPJBRDBHZNRN-UONOGXRCSA-N 1 1 282.428 3.282 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001258731978 807577366 /nfs/dbraw/zinc/57/73/66/807577366.db2.gz GQVKJMFUAVNQMY-UONOGXRCSA-N 1 1 282.428 3.282 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](Oc2ccncc2C)C1 ZINC001258735928 807582155 /nfs/dbraw/zinc/58/21/55/807582155.db2.gz GCDGDVHWZWYQAK-HUUCEWRRSA-N 1 1 260.381 3.198 20 30 CGEDMO CCCCCCC[N@@H+](CC)[C@@H]1CCCN(C(C)=O)C1 ZINC001169616778 807675638 /nfs/dbraw/zinc/67/56/38/807675638.db2.gz YUEWZWHTKZYVGI-MRXNPFEDSA-N 1 1 268.445 3.290 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCC)C1 ZINC001261255544 807721687 /nfs/dbraw/zinc/72/16/87/807721687.db2.gz SZLBYWVOCIHRPJ-IAGOWNOFSA-N 1 1 292.467 3.456 20 30 CGEDMO N#CC1(CC[N@H+]2CC[C@H]3OCCC[C@@H]3C2)CCCCC1 ZINC001261360238 807738720 /nfs/dbraw/zinc/73/87/20/807738720.db2.gz DTUTWICMKJDCRR-HZPDHXFCSA-N 1 1 276.424 3.351 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCC)C1 ZINC001261695845 807778622 /nfs/dbraw/zinc/77/86/22/807778622.db2.gz FMXDFRDGCOCARJ-HUUCEWRRSA-N 1 1 298.858 3.242 20 30 CGEDMO N#Cc1ccc(CNc2cc3[nH+]c[nH]c3cc2F)s1 ZINC001170201791 807793957 /nfs/dbraw/zinc/79/39/57/807793957.db2.gz LYDKZIIKEQYDGL-UHFFFAOYSA-N 1 1 272.308 3.247 20 30 CGEDMO CC(=O)[C@H]1CC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170395938 807833373 /nfs/dbraw/zinc/83/33/73/807833373.db2.gz QVLVKSQFLLBBJM-IVMQYODDSA-N 1 1 296.414 3.301 20 30 CGEDMO C[C@@]1(O)CCC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170389645 807834558 /nfs/dbraw/zinc/83/45/58/807834558.db2.gz XFWHJAJRMJQLBP-JLAWEPINSA-N 1 1 298.430 3.237 20 30 CGEDMO C=CCn1ccc2c1nc[nH+]c2N[C@@H](C)c1cccc(N)c1 ZINC001170728880 807888899 /nfs/dbraw/zinc/88/88/99/807888899.db2.gz IKYCYDPCJPFZHR-LBPRGKRZSA-N 1 1 293.374 3.373 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+]([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170943097 807940420 /nfs/dbraw/zinc/94/04/20/807940420.db2.gz KSLHHNGZDSKPIB-XJKSGUPXSA-N 1 1 274.795 3.433 20 30 CGEDMO C[C@]1(C#N)CC[N@H+]([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170943097 807940426 /nfs/dbraw/zinc/94/04/26/807940426.db2.gz KSLHHNGZDSKPIB-XJKSGUPXSA-N 1 1 274.795 3.433 20 30 CGEDMO C=C(CC(C)C)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC001263708584 807995173 /nfs/dbraw/zinc/99/51/73/807995173.db2.gz RKWKTHPAGKLVHG-UHFFFAOYSA-N 1 1 284.363 3.117 20 30 CGEDMO N#C[C@H]1CCC[N@H+]([C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171134974 807995974 /nfs/dbraw/zinc/99/59/74/807995974.db2.gz IVFSKOQMCAODGR-WBMJQRKESA-N 1 1 274.795 3.433 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1ccncc1 ZINC001171203093 808009383 /nfs/dbraw/zinc/00/93/83/808009383.db2.gz IVMURJRSZXRLBY-CQSZACIVSA-N 1 1 265.360 3.016 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC001171221294 808010842 /nfs/dbraw/zinc/01/08/42/808010842.db2.gz KEKDTUOLMUTECS-MAUKXSAKSA-N 1 1 291.398 3.374 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC001171225123 808014012 /nfs/dbraw/zinc/01/40/12/808014012.db2.gz XUHIBMLNHKWJGM-WFASDCNBSA-N 1 1 276.330 3.220 20 30 CGEDMO C=CCCC(=O)N[C@@H]1[C@@H]2CCC[N@H+](CC(C)C)[C@@H]2C1(C)C ZINC001264030223 808029056 /nfs/dbraw/zinc/02/90/56/808029056.db2.gz PHUDYROMYYWONU-UAGQMJEPSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCC(C)C ZINC001264030638 808029090 /nfs/dbraw/zinc/02/90/90/808029090.db2.gz UJDKZBLAPFJPMC-HYVNUMGLSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCC(=C)C)C[C@@H]2C1 ZINC001264089491 808033977 /nfs/dbraw/zinc/03/39/77/808033977.db2.gz XSNZEFNZRWVFEN-SJORKVTESA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C=C(C)C)CC(C)(C)C1 ZINC001264191459 808046489 /nfs/dbraw/zinc/04/64/89/808046489.db2.gz PVWIKKGHPKBILJ-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](CCCC)C(C)C ZINC001264380451 808064743 /nfs/dbraw/zinc/06/47/43/808064743.db2.gz JQWWILSZBPQHHR-IRXDYDNUSA-N 1 1 292.467 3.005 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CCCC)C(C)C ZINC001264380450 808065794 /nfs/dbraw/zinc/06/57/94/808065794.db2.gz JQWWILSZBPQHHR-IAGOWNOFSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C)[C@@H]1C ZINC001264693630 808085336 /nfs/dbraw/zinc/08/53/36/808085336.db2.gz RNAMMMKNTLVISR-WBVHZDCISA-N 1 1 286.419 3.040 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccsc2)[C@@H]1C ZINC001264702698 808085380 /nfs/dbraw/zinc/08/53/80/808085380.db2.gz KGKOOZAGWLBHRZ-HIFRSBDPSA-N 1 1 292.448 3.183 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C(C)(C)F ZINC001264737500 808089603 /nfs/dbraw/zinc/08/96/03/808089603.db2.gz FSFFYRVEYDSSEJ-AWEZNQCLSA-N 1 1 284.419 3.014 20 30 CGEDMO CCCCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](C)C#N ZINC001264739327 808090713 /nfs/dbraw/zinc/09/07/13/808090713.db2.gz VVBOWWVMHPPNHN-HOTGVXAUSA-N 1 1 293.455 3.039 20 30 CGEDMO C=CCOc1cccc(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001264784936 808093929 /nfs/dbraw/zinc/09/39/29/808093929.db2.gz OKFPRQVHEADFMC-MRXNPFEDSA-N 1 1 288.391 3.063 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)CCCNC(=O)C=C1CCCCC1 ZINC001265101609 808109833 /nfs/dbraw/zinc/10/98/33/808109833.db2.gz RYQGHBAHIPMIFZ-UHFFFAOYSA-N 1 1 298.858 3.458 20 30 CGEDMO C=CC(C)(C)C(=O)NCCC[N@H+](CC)CC1CCCC1 ZINC001265125861 808110900 /nfs/dbraw/zinc/11/09/00/808110900.db2.gz COHITBFTDVBGFL-UHFFFAOYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@@H+](CC)CCCNC(=O)[C@H]1CCCC2(CC2)C1 ZINC001265113112 808111454 /nfs/dbraw/zinc/11/14/54/808111454.db2.gz ACYJRGIFYSPAOT-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CC[N@@H+](CC)CCCNC(=O)c1c(C)[nH]c2ccccc21 ZINC001265121747 808111546 /nfs/dbraw/zinc/11/15/46/808111546.db2.gz BFKFXEZZFDZTOR-UHFFFAOYSA-N 1 1 299.418 3.104 20 30 CGEDMO C=C1CC(C)(C(=O)NCCC[N@H+](CC)CC2CC(C)C2)C1 ZINC001265132750 808112954 /nfs/dbraw/zinc/11/29/54/808112954.db2.gz QLJVFIDBRFDJDM-UHFFFAOYSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C1CC(C)(C(=O)NCCC[N@H+](C[C@H](C)CC)C2CC2)C1 ZINC001265175072 808115110 /nfs/dbraw/zinc/11/51/10/808115110.db2.gz SRZJFYUIZQVOPL-CQSZACIVSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)CCCC)C1 ZINC001265212942 808120700 /nfs/dbraw/zinc/12/07/00/808120700.db2.gz IWHKJNDJHWMGBB-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H](NC(=O)CCC2CCCC2)C1 ZINC001265267907 808123749 /nfs/dbraw/zinc/12/37/49/808123749.db2.gz FMZSGJORLDOJBW-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C[C@@H]1C[C@@H](N2CCC[C@H](CC#N)C2)C[N@H+]1Cc1ccccc1 ZINC001171765536 808133429 /nfs/dbraw/zinc/13/34/29/808133429.db2.gz YIQHEJJMUMHPTN-BHIYHBOVSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](CC#N)C2)CN1Cc1ccccc1 ZINC001171765536 808133432 /nfs/dbraw/zinc/13/34/32/808133432.db2.gz YIQHEJJMUMHPTN-BHIYHBOVSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](CC#N)C2)CN1Cc1ccccc1 ZINC001171765536 808133435 /nfs/dbraw/zinc/13/34/35/808133435.db2.gz YIQHEJJMUMHPTN-BHIYHBOVSA-N 1 1 297.446 3.275 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C)C2CCCC2)C1 ZINC001265396283 808139718 /nfs/dbraw/zinc/13/97/18/808139718.db2.gz AGLPGFZWZWEJHC-JKSUJKDBSA-N 1 1 292.467 3.169 20 30 CGEDMO C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@H](C#N)C1 ZINC001171975725 808163437 /nfs/dbraw/zinc/16/34/37/808163437.db2.gz ZELGUUQIWLSHIS-YPMHNXCESA-N 1 1 282.309 3.482 20 30 CGEDMO C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H](C#N)C1 ZINC001171975725 808163444 /nfs/dbraw/zinc/16/34/44/808163444.db2.gz ZELGUUQIWLSHIS-YPMHNXCESA-N 1 1 282.309 3.482 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001265702318 808170972 /nfs/dbraw/zinc/17/09/72/808170972.db2.gz BZKKKOPKPFGRSD-LSDHHAIUSA-N 1 1 280.456 3.214 20 30 CGEDMO CCCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C#CC(C)(C)C)C1 ZINC001265702891 808171033 /nfs/dbraw/zinc/17/10/33/808171033.db2.gz JDIFNOCEYGZLRW-CVEARBPZSA-N 1 1 292.467 3.053 20 30 CGEDMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N(CCC#N)Cc1ccccc1)C2 ZINC001172114671 808180990 /nfs/dbraw/zinc/18/09/90/808180990.db2.gz RYPYLZVYIRRRDI-REPLKXPHSA-N 1 1 297.446 3.418 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+]([C@H]2CSc3ccccc3C2)C1 ZINC001172204345 808197204 /nfs/dbraw/zinc/19/72/04/808197204.db2.gz ZTMBZIIWAMREKO-DZGCQCFKSA-N 1 1 272.417 3.329 20 30 CGEDMO C=CC[N@@H+](C)CCCNC(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC001265968909 808197936 /nfs/dbraw/zinc/19/79/36/808197936.db2.gz SEOCDIBCCPWGJP-UHFFFAOYSA-N 1 1 299.418 3.022 20 30 CGEDMO N#C[C@@H]1CCC[N@H+]([C@H]2CSc3ccccc3C2)CC1 ZINC001172206769 808198786 /nfs/dbraw/zinc/19/87/86/808198786.db2.gz ULALJURSVZSBAW-UKRRQHHQSA-N 1 1 272.417 3.329 20 30 CGEDMO C=CCC[N@H+](C)CCCNC(=O)C[C@H]1CCCC[C@H]1C ZINC001265984221 808199137 /nfs/dbraw/zinc/19/91/37/808199137.db2.gz OOAHXAODFNPPPT-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)N1CCC([N@@H+](C)C2CC2)CC1 ZINC001172311174 808222778 /nfs/dbraw/zinc/22/27/78/808222778.db2.gz QGBSGKOPJMMUSI-OAHLLOKOSA-N 1 1 297.446 3.048 20 30 CGEDMO CC(C)[N@@H+]([C@H](C)Cc1ccc(C#N)cc1)C1CCN(C)CC1 ZINC001172312173 808223969 /nfs/dbraw/zinc/22/39/69/808223969.db2.gz FNCPVTIVXREHPO-MRXNPFEDSA-N 1 1 299.462 3.294 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC001172314410 808224599 /nfs/dbraw/zinc/22/45/99/808224599.db2.gz JKJRFJKABSUEAV-CHWSQXEVSA-N 1 1 278.346 3.466 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1oc(C)cc1C ZINC001266207816 808227842 /nfs/dbraw/zinc/22/78/42/808227842.db2.gz UFJLVBKDCQEJTN-HNNXBMFYSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)CC(C)(C)CC ZINC001266220148 808228431 /nfs/dbraw/zinc/22/84/31/808228431.db2.gz OMTHOGHNSNOTQY-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H](CC#N)C1 ZINC001172320396 808229035 /nfs/dbraw/zinc/22/90/35/808229035.db2.gz VARZSEIKTZWDGI-RHSMWYFYSA-N 1 1 267.376 3.115 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@H]1CN1CCCC1 ZINC001172319118 808229671 /nfs/dbraw/zinc/22/96/71/808229671.db2.gz LJQAHAIARIXUJQ-QFBILLFUSA-N 1 1 297.446 3.049 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H]1CN1CCCC1 ZINC001172319118 808229678 /nfs/dbraw/zinc/22/96/78/808229678.db2.gz LJQAHAIARIXUJQ-QFBILLFUSA-N 1 1 297.446 3.049 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CC2CCCC2)C1 ZINC001266298873 808237897 /nfs/dbraw/zinc/23/78/97/808237897.db2.gz JUIAQTXKQDRNQI-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)CC2(C)CCCC2)C1 ZINC001266317564 808240984 /nfs/dbraw/zinc/24/09/84/808240984.db2.gz RSUGUPTUJZUALR-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@H+](C)CCNC(=O)c1ccc(C(C)C)cc1 ZINC001266351865 808247748 /nfs/dbraw/zinc/24/77/48/808247748.db2.gz CUTIVEUAWUBQEY-UHFFFAOYSA-N 1 1 274.408 3.048 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](CCCC)C(C)C)C1 ZINC001266362062 808249730 /nfs/dbraw/zinc/24/97/30/808249730.db2.gz XMEKKKFLUVWCSI-JKSUJKDBSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc(CF)cc1 ZINC001266365210 808250580 /nfs/dbraw/zinc/25/05/80/808250580.db2.gz RQZKGELKHZYMOT-AWEZNQCLSA-N 1 1 292.398 3.172 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@@H+](CC)CCC(N)=O ZINC001172353735 808251381 /nfs/dbraw/zinc/25/13/81/808251381.db2.gz AZBMPVQLRNNXTK-CQSZACIVSA-N 1 1 256.434 3.323 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)=C1CCCC1 ZINC001266456673 808268713 /nfs/dbraw/zinc/26/87/13/808268713.db2.gz BYTYAWNPZCBIFK-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@H]1CCC[N@@H+]1C[C@H](C)CC ZINC001266464517 808271226 /nfs/dbraw/zinc/27/12/26/808271226.db2.gz BRMQYTRUTHGBFW-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)CC(C)(C)C ZINC001266494838 808276020 /nfs/dbraw/zinc/27/60/20/808276020.db2.gz BGRWZCFOPIHNRR-HNNXBMFYSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](CNC(=O)C2(CC)CCC2)C1 ZINC001266525567 808281675 /nfs/dbraw/zinc/28/16/75/808281675.db2.gz JRXMZTXOVIHCFX-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+](CCNC(=O)[C@]1(C)CC=CCC1)C1CC1 ZINC001266595155 808293951 /nfs/dbraw/zinc/29/39/51/808293951.db2.gz ZTBDBXQHDSFNSM-GOSISDBHSA-N 1 1 290.451 3.280 20 30 CGEDMO CCOCC[C@H](C)[N@H+](CCC#N)Cc1ccccc1 ZINC001172424410 808304333 /nfs/dbraw/zinc/30/43/33/808304333.db2.gz SEWOIVYCOZJQNQ-HNNXBMFYSA-N 1 1 260.381 3.217 20 30 CGEDMO CCOCC[C@H](C)[N@@H+](CCC#N)Cc1ccccc1 ZINC001172424410 808304341 /nfs/dbraw/zinc/30/43/41/808304341.db2.gz SEWOIVYCOZJQNQ-HNNXBMFYSA-N 1 1 260.381 3.217 20 30 CGEDMO C=CCCCC(=O)NC[C@@H]1CCC[N@H+](C[C@@H](C)CC)C1 ZINC001266757558 808311934 /nfs/dbraw/zinc/31/19/34/808311934.db2.gz CHRMBIUKQZXUAZ-HOTGVXAUSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001266752662 808312644 /nfs/dbraw/zinc/31/26/44/808312644.db2.gz UPYKWFVYLQXJDD-KRWDZBQOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)C(CC)CC ZINC001266833051 808321541 /nfs/dbraw/zinc/32/15/41/808321541.db2.gz PBQAQHYBCMJMNN-INIZCTEOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@H]1CCCC[N@@H+]1C/C=C/Cl ZINC001266853645 808325773 /nfs/dbraw/zinc/32/57/73/808325773.db2.gz PYAWLLXBRYTOOZ-DYIUODAASA-N 1 1 298.858 3.312 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@H]1CCCC[N@H+]1C/C=C/Cl ZINC001266853645 808325780 /nfs/dbraw/zinc/32/57/80/808325780.db2.gz PYAWLLXBRYTOOZ-DYIUODAASA-N 1 1 298.858 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCC(=C)C ZINC001266887658 808330741 /nfs/dbraw/zinc/33/07/41/808330741.db2.gz ZPWIXOIGILOIOZ-DLBZAZTESA-N 1 1 290.451 3.374 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001172499199 808356050 /nfs/dbraw/zinc/35/60/50/808356050.db2.gz BWAKDSAEUYNKEF-WBVHZDCISA-N 1 1 297.402 3.484 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)CCC(=C)C)C1 ZINC001267107138 808359125 /nfs/dbraw/zinc/35/91/25/808359125.db2.gz AXHPIJKYWIYSQI-HNNXBMFYSA-N 1 1 278.440 3.088 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC001172503989 808361465 /nfs/dbraw/zinc/36/14/65/808361465.db2.gz DGAMWXTVTGJFKM-ZIAGYGMSSA-N 1 1 280.412 3.265 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC001172506740 808362702 /nfs/dbraw/zinc/36/27/02/808362702.db2.gz ITENICSNKFCBNA-ZBFHGGJFSA-N 1 1 258.365 3.142 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CC[C@@H](C(=O)c2ccccc2)C1 ZINC001172508006 808364983 /nfs/dbraw/zinc/36/49/83/808364983.db2.gz AWGZSLSHBCPFSL-GDBMZVCRSA-N 1 1 270.376 3.274 20 30 CGEDMO CCCCCCC[C@H](CCC)[N@H+]1CCCNC(=O)C1 ZINC001172508936 808367014 /nfs/dbraw/zinc/36/70/14/808367014.db2.gz REDVCPFLROWBGK-HNNXBMFYSA-N 1 1 268.445 3.338 20 30 CGEDMO C=C(C)C[N@@H+](C)CCNC(=O)c1ccc(C2CCC2)cc1 ZINC001267199741 808379147 /nfs/dbraw/zinc/37/91/47/808379147.db2.gz VHKHIJUPXIPUGU-UHFFFAOYSA-N 1 1 286.419 3.192 20 30 CGEDMO C#CC[N@H+](C)CCNC(=O)[C@H](CCC)CC1CCCCC1 ZINC001267220341 808385612 /nfs/dbraw/zinc/38/56/12/808385612.db2.gz PRRPPVQCMVYXET-QGZVFWFLSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCCC(=O)NCC[N@H+](CC)CC1CCC2(CC2)CC1 ZINC001267238807 808393437 /nfs/dbraw/zinc/39/34/37/808393437.db2.gz TWPXBBVYPGFLBK-UHFFFAOYSA-N 1 1 292.467 3.361 20 30 CGEDMO CC#CC[N@H+]1CCC[C@H]1CNC(=O)C[C@H](C)CC(C)(C)C ZINC001267276266 808402771 /nfs/dbraw/zinc/40/27/71/808402771.db2.gz OJOAKSRGAAIVPQ-HOTGVXAUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)C(=C)C ZINC001267272821 808403187 /nfs/dbraw/zinc/40/31/87/808403187.db2.gz TXIPZEJARUGCCH-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1CNC(=O)C1(CC=C)CCCCC1 ZINC001267281408 808404940 /nfs/dbraw/zinc/40/49/40/808404940.db2.gz IICOLMQORNVUNL-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](CNC(=O)CCC2CCCCCC2)C1 ZINC001267298320 808406959 /nfs/dbraw/zinc/40/69/59/808406959.db2.gz OGTOALMJYNTCFU-KRWDZBQOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC2(C)C)C1 ZINC001267454732 808427950 /nfs/dbraw/zinc/42/79/50/808427950.db2.gz QKWDLONRMZRMOL-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)c1cc(C)cc(F)c1)C(C)C ZINC001267508357 808436403 /nfs/dbraw/zinc/43/64/03/808436403.db2.gz AFWJYUZOVBPNRK-UHFFFAOYSA-N 1 1 292.398 3.150 20 30 CGEDMO C#CCCCC(=O)N(CCC)[C@@H]1CC[N@@H+](CCC(=C)C)C1 ZINC001267540945 808443197 /nfs/dbraw/zinc/44/31/97/808443197.db2.gz RMRIATVXJGXKOQ-QGZVFWFLSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CCCC(=O)NCC[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001267554039 808446065 /nfs/dbraw/zinc/44/60/65/808446065.db2.gz DLRSBJYFGUEDAL-QGZVFWFLSA-N 1 1 290.451 3.281 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)C2(CCC)CC2)C1 ZINC001267565588 808447253 /nfs/dbraw/zinc/44/72/53/808447253.db2.gz QDVNOSNCTCWGOW-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC[C@H]1CC[N@H+](C[C@H](C)CC)C1 ZINC001267560419 808448405 /nfs/dbraw/zinc/44/84/05/808448405.db2.gz HANKUDCAUHLCBU-CVEARBPZSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCC[C@@H]1CC[N@@H+](CCC(=C)C)C1 ZINC001267569844 808449720 /nfs/dbraw/zinc/44/97/20/808449720.db2.gz CVNJMWVDSOFVQD-AEFFLSMTSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CC[N@H+](C)CC1CCN(C(=O)CCC2CCCC2)CC1 ZINC001267596178 808455081 /nfs/dbraw/zinc/45/50/81/808455081.db2.gz LWIXOUDTIIIFCP-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)c2ccsc2C)C1 ZINC001267643977 808463828 /nfs/dbraw/zinc/46/38/28/808463828.db2.gz BXIQXTOONMNNON-UHFFFAOYSA-N 1 1 294.464 3.441 20 30 CGEDMO C#CCCCCC(=O)NC1C[NH+]([C@@H](C)c2cccc(C)c2)C1 ZINC001267643893 808464256 /nfs/dbraw/zinc/46/42/56/808464256.db2.gz YOXNRTMBXFZYLR-INIZCTEOSA-N 1 1 298.430 3.050 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)CC(C)(C)CC)C1 ZINC001267653099 808465703 /nfs/dbraw/zinc/46/57/03/808465703.db2.gz LAFMKSFRJAFAEH-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(CC)CCC1 ZINC001267711349 808473818 /nfs/dbraw/zinc/47/38/18/808473818.db2.gz SQHMORPCZIIRFN-PMPSAXMXSA-N 1 1 290.451 3.207 20 30 CGEDMO C=CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCCCC ZINC001267711588 808474907 /nfs/dbraw/zinc/47/49/07/808474907.db2.gz AZYLQLHXIMUOEM-HOTGVXAUSA-N 1 1 278.440 3.208 20 30 CGEDMO C=C(C)C[N@H+](C)CC1CCN(C(=O)C[C@H](C)CC)CC1 ZINC001267724942 808478196 /nfs/dbraw/zinc/47/81/96/808478196.db2.gz QIMRMUCCETTXCZ-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC001267728527 808478429 /nfs/dbraw/zinc/47/84/29/808478429.db2.gz DBZOZQJMAGMTOV-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO CC(C)(C)C#CC(=O)N[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001267741199 808481156 /nfs/dbraw/zinc/48/11/56/808481156.db2.gz NECQKKKYOXBBON-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@@H+](C)CC1CCN(C(=O)C(C)(C)C2CC2)CC1 ZINC001267739906 808481719 /nfs/dbraw/zinc/48/17/19/808481719.db2.gz MIKKAGDCMRDDFT-UHFFFAOYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)C2(CCCC)CC2)C1 ZINC001267772061 808487959 /nfs/dbraw/zinc/48/79/59/808487959.db2.gz SDVOWJYVUYTPAE-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](F)CC)C1 ZINC001267770917 808488958 /nfs/dbraw/zinc/48/89/58/808488958.db2.gz VEMGWGSHZBJNJK-HUUCEWRRSA-N 1 1 286.435 3.238 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)C[C@@H]2C=CCC2)C1 ZINC001267780313 808490730 /nfs/dbraw/zinc/49/07/30/808490730.db2.gz LQDLZQVKKFJJBE-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H](CC)SC)C1 ZINC001267784235 808492319 /nfs/dbraw/zinc/49/23/19/808492319.db2.gz NXTOOBHUMJAELU-LSDHHAIUSA-N 1 1 298.496 3.017 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)C[C@@H](C)C2CC2)C1 ZINC001267794156 808495004 /nfs/dbraw/zinc/49/50/04/808495004.db2.gz MVGVREBHQOZDAX-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC2(C1)CCN(C(=O)CC[C@@H](C)CC)CC2 ZINC001267974136 808522817 /nfs/dbraw/zinc/52/28/17/808522817.db2.gz NQQLNRZNPUNNBS-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)C[C@@H](CC)C(C)(C)C ZINC001268254975 808570390 /nfs/dbraw/zinc/57/03/90/808570390.db2.gz JOSAHCMSSKRXKD-OAHLLOKOSA-N 1 1 282.472 3.415 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCC(C)C)CC[C@@H]21 ZINC001268262312 808573582 /nfs/dbraw/zinc/57/35/82/808573582.db2.gz JZEBWPHOKFBTOM-SJORKVTESA-N 1 1 292.467 3.312 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)c2ccoc2Cl)C1 ZINC001268281619 808574576 /nfs/dbraw/zinc/57/45/76/808574576.db2.gz RQFOIKXHDBNJAW-UHFFFAOYSA-N 1 1 298.814 3.317 20 30 CGEDMO C=C(C)CCC(=O)NC1C[NH+](CCC2=CCCCC2)C1 ZINC001268310579 808577207 /nfs/dbraw/zinc/57/72/07/808577207.db2.gz JIXDPNPJXUWBTD-UHFFFAOYSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCOC1CCC([N@H+]2CC[C@](C)(F)[C@H](F)C2)CC1 ZINC001173321354 808611609 /nfs/dbraw/zinc/61/16/09/808611609.db2.gz JIWVXVLSBALTSZ-CVSAEHQPSA-N 1 1 273.367 3.272 20 30 CGEDMO C=CCOC1CCC([N@H+]2CC[C@H]3CCCO[C@@H]3C2)CC1 ZINC001173321626 808611702 /nfs/dbraw/zinc/61/17/02/808611702.db2.gz NMJCOJGHFZSUER-RDHHWEPZSA-N 1 1 279.424 3.001 20 30 CGEDMO C=CCOC1CCC([N@@H+](C)Cc2nccs2)CC1 ZINC001173326660 808612590 /nfs/dbraw/zinc/61/25/90/808612590.db2.gz MHLISGMFRUUHQZ-UHFFFAOYSA-N 1 1 266.410 3.089 20 30 CGEDMO CO[C@H]1CCC[C@@H]2C[N@H+](C3CCC(CC#N)CC3)C[C@@H]21 ZINC001173335046 808617352 /nfs/dbraw/zinc/61/73/52/808617352.db2.gz DAIRBATYNKKCGJ-BHIOZNAESA-N 1 1 276.424 3.206 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC=CCCC1 ZINC001268734689 808618505 /nfs/dbraw/zinc/61/85/05/808618505.db2.gz GGVHJJILAWZGNQ-CVEARBPZSA-N 1 1 278.440 3.136 20 30 CGEDMO C[N@@H+](Cc1cccc2c1OCO2)C1CCC(CC#N)CC1 ZINC001173341456 808621769 /nfs/dbraw/zinc/62/17/69/808621769.db2.gz WDXVIJSSJSPRRE-UHFFFAOYSA-N 1 1 286.375 3.320 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)C1CCC(C)(C)CC1 ZINC001268760730 808626039 /nfs/dbraw/zinc/62/60/39/808626039.db2.gz XHHSNLARLGPPPA-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO CCOC(=O)[C@H](CC(C)C)[NH2+]C1CCC(C)(C#N)CC1 ZINC001173584642 808646130 /nfs/dbraw/zinc/64/61/30/808646130.db2.gz FISANARALLDSAD-BBBYJDLNSA-N 1 1 280.412 3.026 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2cc(C)oc2C)C1 ZINC001269103958 808647125 /nfs/dbraw/zinc/64/71/25/808647125.db2.gz JOGBTSNREDABPY-SWLSCSKDSA-N 1 1 290.407 3.055 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CCc3cc4c(cc3C2)OCO4)CC1 ZINC001173592832 808648609 /nfs/dbraw/zinc/64/86/09/808648609.db2.gz BNABEKYEIBOKJX-UHFFFAOYSA-N 1 1 298.386 3.246 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CC[C@@H](C(F)(F)F)C2)CC1 ZINC001173597688 808651130 /nfs/dbraw/zinc/65/11/30/808651130.db2.gz DOPXIIMXUNECDF-VOMCLLRMSA-N 1 1 260.303 3.343 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC23CCC3)C1 ZINC001269172331 808651747 /nfs/dbraw/zinc/65/17/47/808651747.db2.gz NNRGVPCXAOMSAU-HZPDHXFCSA-N 1 1 292.467 3.338 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H](NC(=O)C2(CC=C)CCCC2)C1 ZINC001269203332 808654141 /nfs/dbraw/zinc/65/41/41/808654141.db2.gz PMHCSMLHGWFDJN-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)/C=C/C(C)(C)C)C1 ZINC001269222372 808658774 /nfs/dbraw/zinc/65/87/74/808658774.db2.gz WYMYGSNKSDQKBN-AOOXPWSASA-N 1 1 292.467 3.476 20 30 CGEDMO C=CC[N@H+]([C@@H]1CC[C@H](CC(=O)OCC)C1)C(C)(C)C ZINC001173662048 808662488 /nfs/dbraw/zinc/66/24/88/808662488.db2.gz UYZIDHFUHPKOJD-UONOGXRCSA-N 1 1 267.413 3.395 20 30 CGEDMO C#CCCCC(=O)N(CC)[C@@H]1CC[N@H+](CC(CC)CC)C1 ZINC001269324541 808670285 /nfs/dbraw/zinc/67/02/85/808670285.db2.gz MGASVVREAJZSDA-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(C)=O)C1 ZINC001269553353 808687613 /nfs/dbraw/zinc/68/76/13/808687613.db2.gz QWEMVIPQSLVDGS-MSOLQXFVSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)/C=C(/C)CC)C1 ZINC001269555643 808688235 /nfs/dbraw/zinc/68/82/35/808688235.db2.gz GSODUWODJUVCIR-LSLWIEAESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCCC ZINC001269579439 808689804 /nfs/dbraw/zinc/68/98/04/808689804.db2.gz KYTPEWDHODABER-CVEARBPZSA-N 1 1 278.440 3.208 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@H](CC)CCC)C1 ZINC001270643231 808741142 /nfs/dbraw/zinc/74/11/42/808741142.db2.gz SWMISGYWJJUKDL-WBVHZDCISA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)C2CCC2)C1 ZINC001270982246 808757471 /nfs/dbraw/zinc/75/74/71/808757471.db2.gz GWUKXZMONRBBDI-SFHVURJKSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)C1 ZINC001271743375 808781095 /nfs/dbraw/zinc/78/10/95/808781095.db2.gz BDZCFLGDPVZNLT-MUJYYYPQSA-N 1 1 290.451 3.110 20 30 CGEDMO CC#CCCCCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001271782292 808783658 /nfs/dbraw/zinc/78/36/58/808783658.db2.gz UFMQKTWZSMGGEK-CALCHBBNSA-N 1 1 290.451 3.045 20 30 CGEDMO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2C[C@@H](C)CCC)C1=O ZINC001272432002 808808351 /nfs/dbraw/zinc/80/83/51/808808351.db2.gz YIJQZTTUYQIGFG-RDJZCZTQSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCN1CC[C@@]2(CCC[N@H+](CCC(C)(C)C)CC2)C1=O ZINC001272495159 808813046 /nfs/dbraw/zinc/81/30/46/808813046.db2.gz HVYAVWZSBMKSQJ-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCCCCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC=C ZINC001272701746 808821445 /nfs/dbraw/zinc/82/14/45/808821445.db2.gz LJPSXLJWZFSCLZ-IAGOWNOFSA-N 1 1 290.451 3.374 20 30 CGEDMO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(C)cc(C)c2)C1=O ZINC001273005719 808831546 /nfs/dbraw/zinc/83/15/46/808831546.db2.gz LYYCNYMURHRBRY-IBGZPJMESA-N 1 1 298.430 3.056 20 30 CGEDMO N#Cc1cccc(F)c1Nc1cc[nH+]c2ccccc12 ZINC001174038492 808836508 /nfs/dbraw/zinc/83/65/08/808836508.db2.gz NPDZIOCDYZZOBM-UHFFFAOYSA-N 1 1 263.275 3.411 20 30 CGEDMO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1c(C)cccc1C ZINC001273266178 808838743 /nfs/dbraw/zinc/83/87/43/808838743.db2.gz RRIFKIUMIQJUIW-QZTJIDSGSA-N 1 1 298.430 3.055 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CCCCC(C)(C)C)CC1 ZINC001273417076 808843839 /nfs/dbraw/zinc/84/38/39/808843839.db2.gz DVRJGBIQHIRAKC-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C2CC2)CC1 ZINC001273437501 808844890 /nfs/dbraw/zinc/84/48/90/808844890.db2.gz POWBBFMDHJDTPJ-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCCC1CC1)C2 ZINC001273840826 808862053 /nfs/dbraw/zinc/86/20/53/808862053.db2.gz OHWIPRYFBVNJBM-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)CC)C(C)(C)C1 ZINC001274417515 808875451 /nfs/dbraw/zinc/87/54/51/808875451.db2.gz WDDZLMUINQHEHN-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](CCC)C(C)C)C(C)(C)C1 ZINC001274454586 808875527 /nfs/dbraw/zinc/87/55/27/808875527.db2.gz PCVPTRUEKASQJX-CVEARBPZSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)c1ccco1 ZINC001275081661 808904504 /nfs/dbraw/zinc/90/45/04/808904504.db2.gz YOROVEOOWYOQQH-CABCVRRESA-N 1 1 290.407 3.171 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCC1 ZINC001275135066 808914618 /nfs/dbraw/zinc/91/46/18/808914618.db2.gz FSSYRGDNBYKRJE-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)CC(CC)CC ZINC001275151038 808917698 /nfs/dbraw/zinc/91/76/98/808917698.db2.gz SXBUFYVNBZHHTP-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)C[C@@H](CC)C(C)C ZINC001275161308 808919150 /nfs/dbraw/zinc/91/91/50/808919150.db2.gz YIXRBPJQAOVLJM-IAGOWNOFSA-N 1 1 292.467 3.005 20 30 CGEDMO CCCCCCC[N@@H+](C)C[C@H](C)NC(=O)C#CC(C)(C)C ZINC001275553360 808948108 /nfs/dbraw/zinc/94/81/08/808948108.db2.gz YRHGIQBHLKMWAU-INIZCTEOSA-N 1 1 294.483 3.443 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)c1cc(C)ccc1F ZINC001275666503 808957643 /nfs/dbraw/zinc/95/76/43/808957643.db2.gz YDKRGZFBDYNJLM-AWEZNQCLSA-N 1 1 292.398 3.150 20 30 CGEDMO CC#CC[N@@H+](C)[C@@H](C)CNC(=O)CCCCC(C)(C)C ZINC001275837064 808969897 /nfs/dbraw/zinc/96/98/97/808969897.db2.gz ZWTOYQLLCRLFND-HNNXBMFYSA-N 1 1 280.456 3.053 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@H](C)[N@H+](C)C[C@@H](C)CC ZINC001275897930 808974441 /nfs/dbraw/zinc/97/44/41/808974441.db2.gz XTDKGVZQJOQNLZ-KBPBESRZSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)c1ccc2[nH]ccc2c1 ZINC001275913453 808975545 /nfs/dbraw/zinc/97/55/45/808975545.db2.gz RODWCEFGAZVNOF-CQSZACIVSA-N 1 1 299.418 3.184 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@]1(C)CC=C(C)CC1 ZINC001276001109 808982987 /nfs/dbraw/zinc/98/29/87/808982987.db2.gz DMCDESJUVBXQLB-NVXWUHKLSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)CNC(=O)c1ccc(C(C)(F)F)cc1 ZINC001276021573 808985033 /nfs/dbraw/zinc/98/50/33/808985033.db2.gz UTSMRPLQQGIPRH-LBPRGKRZSA-N 1 1 296.361 3.034 20 30 CGEDMO C#CCCCC(=O)N[C@H]1C[N@H+](CCCC(C)C)CC1(C)C ZINC001276578370 809017987 /nfs/dbraw/zinc/01/79/87/809017987.db2.gz GLVSEVSCWNBKOP-INIZCTEOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)/C=C\C(C)(C)C ZINC001276809655 809032721 /nfs/dbraw/zinc/03/27/21/809032721.db2.gz MATRFAAGGNACPZ-UBGRJXSISA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CC[N@H+]1[C@@H]1CCCc2ccccc21 ZINC001276802025 809032830 /nfs/dbraw/zinc/03/28/30/809032830.db2.gz WGENJCDYCIHIHL-FUHWJXTLSA-N 1 1 298.430 3.221 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)CC(C)C)C2)C1 ZINC001276847954 809036997 /nfs/dbraw/zinc/03/69/97/809036997.db2.gz UCBVTHMYAJMPFF-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)CC(C)(C)C=C ZINC001276862888 809039320 /nfs/dbraw/zinc/03/93/20/809039320.db2.gz YVQULWNOXCLHQG-GJZGRUSLSA-N 1 1 278.440 3.134 20 30 CGEDMO CCCCCCCNC(=O)N1CCC2(CC[N@@H+](C)C2)CC1 ZINC001277330422 809069576 /nfs/dbraw/zinc/06/95/76/809069576.db2.gz JRLXDGHEOSODMR-UHFFFAOYSA-N 1 1 295.471 3.084 20 30 CGEDMO C=CC[N@@H+](CC1CC1)C1CCN(C(=O)C2(C)CCC2)CC1 ZINC001277393664 809073097 /nfs/dbraw/zinc/07/30/97/809073097.db2.gz MQANWDAQQAZLEQ-UHFFFAOYSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)[C@@H]2CC[C@H](F)C2)CC1 ZINC001277423659 809073572 /nfs/dbraw/zinc/07/35/72/809073572.db2.gz SNSHEJABRIBNMG-CABCVRRESA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@](C)(NC(=O)c2ccsc2)C1 ZINC001278355820 809127103 /nfs/dbraw/zinc/12/71/03/809127103.db2.gz DQCPDDIRZAQSQC-BBRMVZONSA-N 1 1 292.448 3.297 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)C2(CCF)CC2)C1 ZINC001278413374 809131139 /nfs/dbraw/zinc/13/11/39/809131139.db2.gz BYNAKAAPWYTAJU-GOEBONIOSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)C(C)=C2CCC2)C1 ZINC001278658928 809149308 /nfs/dbraw/zinc/14/93/08/809149308.db2.gz PGRKEZLENAXSDR-SFHVURJKSA-N 1 1 290.451 3.281 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@]1(C)CCC[N@@H+](C/C=C/Cl)C1 ZINC001278664149 809150241 /nfs/dbraw/zinc/15/02/41/809150241.db2.gz VESJSKNTCDXRMY-DXWDOBMASA-N 1 1 298.858 3.314 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)CCC1CCC1)C(C)C ZINC001278899276 809154300 /nfs/dbraw/zinc/15/43/00/809154300.db2.gz GVBCLZPVSMKPEE-UHFFFAOYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC[C@H](C)F ZINC001279567737 809174795 /nfs/dbraw/zinc/17/47/95/809174795.db2.gz YSNKGGJJJPIFJU-XHSDSOJGSA-N 1 1 296.430 3.156 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)/C(C)=C/CC)[C@@H]2C1 ZINC001279605501 809175809 /nfs/dbraw/zinc/17/58/09/809175809.db2.gz FNVFPDQEHJPSKQ-TUTJWUKCSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 ZINC001174914623 809198770 /nfs/dbraw/zinc/19/87/70/809198770.db2.gz DBOUPOQGKHCDBB-WMLDXEAASA-N 1 1 294.439 3.332 20 30 CGEDMO C=CCCC[N@H+](C)CCCN(C)C(=O)c1cc(Cl)c[nH]1 ZINC001280787926 809199011 /nfs/dbraw/zinc/19/90/11/809199011.db2.gz RMJGEPOYDKZUGE-UHFFFAOYSA-N 1 1 297.830 3.028 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)C=C(CC)CC ZINC001280803074 809199779 /nfs/dbraw/zinc/19/97/79/809199779.db2.gz RKQOYMJATNELIG-UHFFFAOYSA-N 1 1 286.847 3.266 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCN(C)C(=O)C=C(CC)CC ZINC001280803074 809199781 /nfs/dbraw/zinc/19/97/81/809199781.db2.gz RKQOYMJATNELIG-UHFFFAOYSA-N 1 1 286.847 3.266 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@H+](CC)C1 ZINC001280888903 809204134 /nfs/dbraw/zinc/20/41/34/809204134.db2.gz DOGMPJNHDGJHMD-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CCCC2CC2)C[C@@H]1C ZINC001281673579 809217827 /nfs/dbraw/zinc/21/78/27/809217827.db2.gz DSTGSRGAGAROBL-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CC(CC)CC)C[C@@H]1C ZINC001281682966 809217968 /nfs/dbraw/zinc/21/79/68/809217968.db2.gz GJBYQXCJDJOAHG-HOCLYGCPSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1coc(C)c1 ZINC001281933636 809225177 /nfs/dbraw/zinc/22/51/77/809225177.db2.gz SVWXJESGYSCKBT-INIZCTEOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)c1ccoc1C1CC1 ZINC001282451049 809248418 /nfs/dbraw/zinc/24/84/18/809248418.db2.gz RMBYFGKZLOZUHB-CYBMUJFWSA-N 1 1 290.407 3.173 20 30 CGEDMO C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)C1(C2CC2)CC1 ZINC001282666547 809258616 /nfs/dbraw/zinc/25/86/16/809258616.db2.gz RTRVSBQTVVRRGM-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCCC(=O)N1C[C@]2(C)C[N@H+](C[C@@H](C)CC)C[C@]2(C)C1 ZINC001282983615 809268240 /nfs/dbraw/zinc/26/82/40/809268240.db2.gz YGJOYYIOXDVVBE-RYQLBKOJSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)[C@@](C)(F)CCCC)CC1 ZINC001283316703 809275606 /nfs/dbraw/zinc/27/56/06/809275606.db2.gz FPVYAOQGKMCYHM-KRWDZBQOSA-N 1 1 298.446 3.404 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@]12CCC[C@@H]1[N@@H+](CC(=C)C)CC2 ZINC001284066495 809295372 /nfs/dbraw/zinc/29/53/72/809295372.db2.gz HAIGBOHEPYZVHB-RYRKJORJSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)[C@@H]1CCCC1(C)C)C(C)C ZINC001284544947 809309243 /nfs/dbraw/zinc/30/92/43/809309243.db2.gz LPQAFPUICMUTCU-HNNXBMFYSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[C@@H](C(=O)OC)[N@H+](CCC)Cc1ccc(OC)cc1 ZINC001175322386 809354712 /nfs/dbraw/zinc/35/47/12/809354712.db2.gz CNCDCDDGFYNZAO-INIZCTEOSA-N 1 1 291.391 3.025 20 30 CGEDMO C=CC[C@@H](C(=O)OC)[N@@H+](CCC)Cc1ccc(OC)cc1 ZINC001175322386 809354719 /nfs/dbraw/zinc/35/47/19/809354719.db2.gz CNCDCDDGFYNZAO-INIZCTEOSA-N 1 1 291.391 3.025 20 30 CGEDMO C[N@H+]1CCC=C(Nc2ccc(Cl)c(Cl)c2C#N)C1 ZINC001175578009 809459872 /nfs/dbraw/zinc/45/98/72/809459872.db2.gz GHTXGSXZAPVNDV-UHFFFAOYSA-N 1 1 282.174 3.496 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)[C@H]1CCC(C)=C(C)C1 ZINC001297373587 809516564 /nfs/dbraw/zinc/51/65/64/809516564.db2.gz YUOUGKAVPULXAN-INIZCTEOSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC001175982262 809591223 /nfs/dbraw/zinc/59/12/23/809591223.db2.gz DEAGQEJFSFKCSV-GRDNDAEWSA-N 1 1 294.439 3.140 20 30 CGEDMO C#CC[N@@H+](C[C@@H](O)c1ccc(C(F)(F)F)cc1)C(C)(C)C ZINC001176281956 809659153 /nfs/dbraw/zinc/65/91/53/809659153.db2.gz RJLMKIBDGBIHSB-CQSZACIVSA-N 1 1 299.336 3.473 20 30 CGEDMO C#CC[N@@H+](Cc1ccc([Si](C)(C)C)cc1)C(C)C ZINC001176373770 809681876 /nfs/dbraw/zinc/68/18/76/809681876.db2.gz ZDCVCUHWQRCCAW-UHFFFAOYSA-N 1 1 259.469 3.075 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1CCCCC1(C)OCCO1 ZINC001176770982 809759960 /nfs/dbraw/zinc/75/99/60/809759960.db2.gz CITWMZJXSHDURT-HNNXBMFYSA-N 1 1 267.413 3.350 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001176771075 809760036 /nfs/dbraw/zinc/76/00/36/809760036.db2.gz FILYBHMGKOCETH-IRXDYDNUSA-N 1 1 270.376 3.022 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1cccc(OC(F)F)c1 ZINC001176813652 809763932 /nfs/dbraw/zinc/76/39/32/809763932.db2.gz GPAYTHMUXPLTDL-GFCCVEGCSA-N 1 1 253.292 3.438 20 30 CGEDMO CCCCCCC[C@H](C)C(=O)NC1C[NH+](C(C)C)C1 ZINC001181133698 810039873 /nfs/dbraw/zinc/03/98/73/810039873.db2.gz XXWVEQRTKNDTJS-AWEZNQCLSA-N 1 1 268.445 3.192 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](C[C@H]2CCc3ccccc32)C1 ZINC001182546014 810114438 /nfs/dbraw/zinc/11/44/38/810114438.db2.gz YTWIVWKDTQPCRU-DOTOQJQBSA-N 1 1 253.389 3.452 20 30 CGEDMO Cc1[nH+]ccn1Cc1ccc(Nc2ccncc2C#N)cc1 ZINC001214013133 815355407 /nfs/dbraw/zinc/35/54/07/815355407.db2.gz DYHLNOFDJDUKNK-UHFFFAOYSA-N 1 1 289.342 3.250 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC001188674880 810501521 /nfs/dbraw/zinc/50/15/21/810501521.db2.gz HBSSCIZVHDEIDM-RDJZCZTQSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)CC2CCCC2)C1 ZINC001188703056 810505036 /nfs/dbraw/zinc/50/50/36/810505036.db2.gz UXLJYVJAVFNOGU-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)/C=C/C(C)(C)C)C1 ZINC001189438236 810569201 /nfs/dbraw/zinc/56/92/01/810569201.db2.gz QCZIBHOETOPRNS-VSGCLNPGSA-N 1 1 278.440 3.088 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)C2CC=CC2)C1 ZINC001189498837 810572417 /nfs/dbraw/zinc/57/24/17/810572417.db2.gz CUPRUOZHUOYONW-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)/C=C\C2CC2)C1 ZINC001189539285 810577132 /nfs/dbraw/zinc/57/71/32/810577132.db2.gz ZEHYFVVNIDQGNO-MQNTZWLQSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C(F)=C2CCCC2)C1 ZINC001189642841 810583790 /nfs/dbraw/zinc/58/37/90/810583790.db2.gz UVHFMKJLEPSVMV-OAHLLOKOSA-N 1 1 294.414 3.283 20 30 CGEDMO C#CCCCCC(=O)N1CC[C@H]([N@@H+](C)CCC(C)(C)C)C1 ZINC001189744118 810587001 /nfs/dbraw/zinc/58/70/01/810587001.db2.gz NFMPWQLFWDVCTA-INIZCTEOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](CC)C(C)C)[C@@H]2C1 ZINC001189879430 810593705 /nfs/dbraw/zinc/59/37/05/810593705.db2.gz DLIVOSZPOILYBZ-IXDOHACOSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@]2(C)CC=CCC2)C1 ZINC001190337024 810619831 /nfs/dbraw/zinc/61/98/31/810619831.db2.gz NDLHZJGICBYYQP-FUHWJXTLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)CCC[C@H](C)CCC)C1 ZINC001190369670 810624107 /nfs/dbraw/zinc/62/41/07/810624107.db2.gz FKHSZDNODUJVSY-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001190428458 810626625 /nfs/dbraw/zinc/62/66/25/810626625.db2.gz JBAGJEKHUSONAA-KRWDZBQOSA-N 1 1 286.419 3.076 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccsc2)C1 ZINC001190436201 810628298 /nfs/dbraw/zinc/62/82/98/810628298.db2.gz SETQFZXBKNTCOU-OAHLLOKOSA-N 1 1 292.448 3.137 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]([N@H+](C)CC/C=C\CC)C1 ZINC001190428626 810628428 /nfs/dbraw/zinc/62/84/28/810628428.db2.gz MNUMGVDJBPKSFR-WLMCBFPDSA-N 1 1 278.440 3.232 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)C[C@@H]1COC2(CCCCC2)O1 ZINC001191134216 810682016 /nfs/dbraw/zinc/68/20/16/810682016.db2.gz WZPYIFVYNWXXCE-OAHLLOKOSA-N 1 1 294.439 3.324 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@@H]1COC2(CCCCC2)O1 ZINC001191134216 810682018 /nfs/dbraw/zinc/68/20/18/810682018.db2.gz WZPYIFVYNWXXCE-OAHLLOKOSA-N 1 1 294.439 3.324 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](CC)CCCC)C1 ZINC001191423195 810713444 /nfs/dbraw/zinc/71/34/44/810713444.db2.gz OKXZRCHOHGUBIH-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CCCCCCC(=O)N1CC[C@@H]([N@@H+](C)CCC(=C)C)C1 ZINC001191754021 810736798 /nfs/dbraw/zinc/73/67/98/810736798.db2.gz JOCOKOQTHYIAGZ-QGZVFWFLSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001192092803 810767989 /nfs/dbraw/zinc/76/79/89/810767989.db2.gz CZAMAIWRQLNKCK-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@H]([N@H+](C)CCC(C)C)C2)CCC1 ZINC001192189282 810773549 /nfs/dbraw/zinc/77/35/49/810773549.db2.gz CJLUYNSINYENGP-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC1(C(=O)N2CC[C@H]([N@@H+](C)CCC3CC3)C2)CC1 ZINC001192205631 810775218 /nfs/dbraw/zinc/77/52/18/810775218.db2.gz GYQHYJMJWVFSPH-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001192240224 810780448 /nfs/dbraw/zinc/78/04/48/810780448.db2.gz ZQVIJLQDDSEXRO-JZXOWHBKSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)CCC(C)(C)C)C1 ZINC001192948379 810833128 /nfs/dbraw/zinc/83/31/28/810833128.db2.gz RSLHMJCUBRYJFF-CYBMUJFWSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)CCC(C)(C)C)C1 ZINC001192948379 810833132 /nfs/dbraw/zinc/83/31/32/810833132.db2.gz RSLHMJCUBRYJFF-CYBMUJFWSA-N 1 1 286.847 3.098 20 30 CGEDMO C=CC[C@H]([NH2+][C@@H](CCCC)C1CCC1)C(=O)OC ZINC001193240548 810865194 /nfs/dbraw/zinc/86/51/94/810865194.db2.gz URSFNADGTJKXLH-KBPBESRZSA-N 1 1 253.386 3.053 20 30 CGEDMO CC[C@@H]1CCCC[C@H]1[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC001193460725 810890335 /nfs/dbraw/zinc/89/03/35/810890335.db2.gz MMIOOYNKIFZUDB-KBAYOESNSA-N 1 1 286.419 3.492 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](F)CCCCCC)C1 ZINC001193478425 810894631 /nfs/dbraw/zinc/89/46/31/810894631.db2.gz MHANCEDVFGMIBZ-HOTGVXAUSA-N 1 1 298.446 3.404 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)c2cc3ccccc3o2)C1 ZINC001193837235 810965240 /nfs/dbraw/zinc/96/52/40/810965240.db2.gz UVQFKQKDXXASNW-OAHLLOKOSA-N 1 1 298.386 3.155 20 30 CGEDMO CCCCCCCOC(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001194005633 811000107 /nfs/dbraw/zinc/00/01/07/811000107.db2.gz WNQIXAVIEHPGMA-HNNXBMFYSA-N 1 1 282.428 3.264 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H](C=C)c2ccccc2)C1 ZINC001194199668 811034745 /nfs/dbraw/zinc/03/47/45/811034745.db2.gz FBKKBLPXZGVKCK-AEFFLSMTSA-N 1 1 298.430 3.065 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](CCCC)C(C)C)C1 ZINC001194306753 811047885 /nfs/dbraw/zinc/04/78/85/811047885.db2.gz WWCOWNCOLHPFTQ-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)c2cccc(C3CC3)c2)C1 ZINC001194325622 811052138 /nfs/dbraw/zinc/05/21/38/811052138.db2.gz KNJGRZFOODYPHX-SFHVURJKSA-N 1 1 298.430 3.286 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)CCCC2CCCC2)C1 ZINC001194326368 811052445 /nfs/dbraw/zinc/05/24/45/811052445.db2.gz OOYQXWZFDJFKIC-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC001194533948 811086924 /nfs/dbraw/zinc/08/69/24/811086924.db2.gz MUYYQPVLQWWITB-AWEZNQCLSA-N 1 1 270.417 3.119 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001194529570 811087001 /nfs/dbraw/zinc/08/70/01/811087001.db2.gz CATWPCWLIICBLC-CQSZACIVSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@@H+]1CCN(c2cccc(Cl)c2)C[C@H]1C ZINC001194553040 811089390 /nfs/dbraw/zinc/08/93/90/811089390.db2.gz VEMQDUPGCAYGAR-CYBMUJFWSA-N 1 1 264.800 3.427 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C[C@@H]2C=CCC2)CC1 ZINC001194761121 811125702 /nfs/dbraw/zinc/12/57/02/811125702.db2.gz AWPNJANKHJILJG-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCN(C(=O)[C@@H](C)CC)CC1 ZINC001194869607 811159081 /nfs/dbraw/zinc/15/90/81/811159081.db2.gz VZHVKKRKHFKCFI-INIZCTEOSA-N 1 1 280.456 3.313 20 30 CGEDMO Cc1cccc2[nH+]cc(Nc3cc(C#N)ccc3F)n21 ZINC001214596241 815428908 /nfs/dbraw/zinc/42/89/08/815428908.db2.gz VSTAOSCYBICESK-UHFFFAOYSA-N 1 1 266.279 3.397 20 30 CGEDMO CCCCCCC[N@H+]1CCCN(C(=O)/C=C\C2CC2)CC1 ZINC001195418762 811253223 /nfs/dbraw/zinc/25/32/23/811253223.db2.gz JWJSBVGFCYFSQY-KHPPLWFESA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)CC(C)(C)C2CC2)CC1 ZINC001195716480 811281706 /nfs/dbraw/zinc/28/17/06/811281706.db2.gz DJMFNVONSMIFSM-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCC[N@@H+](C/C=C/Cl)CC1 ZINC001195966462 811304729 /nfs/dbraw/zinc/30/47/29/811304729.db2.gz GIEPNFNFGSWKGK-WEVVVXLNSA-N 1 1 296.842 3.042 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCC[N@H+](C/C=C/Cl)CC1 ZINC001195966462 811304738 /nfs/dbraw/zinc/30/47/38/811304738.db2.gz GIEPNFNFGSWKGK-WEVVVXLNSA-N 1 1 296.842 3.042 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)[C@H](C)C(CC)CC)CC1 ZINC001196375999 811338789 /nfs/dbraw/zinc/33/87/89/811338789.db2.gz QJPPKQFKESESKX-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO CC#CCCCC(=O)N1CCC[N@H+](CC/C=C/CC)CC1 ZINC001196847220 811372404 /nfs/dbraw/zinc/37/24/04/811372404.db2.gz XMABQBISANOQJT-SOFGYWHQSA-N 1 1 290.451 3.071 20 30 CGEDMO C=CCCCC(=O)N1CCC[N@@H+](Cc2ccsc2)CC1 ZINC001196999886 811388951 /nfs/dbraw/zinc/38/89/51/811388951.db2.gz BNHNDOQPFBHREP-UHFFFAOYSA-N 1 1 292.448 3.139 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)C2(CCCC)CC2)CC1 ZINC001197069715 811397636 /nfs/dbraw/zinc/39/76/36/811397636.db2.gz YYWSQQZDMSSTKL-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C2(CCC)CC2)CC1 ZINC001197111058 811400207 /nfs/dbraw/zinc/40/02/07/811400207.db2.gz UJWBBNDLZLZXRD-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C2CC3(CC3)C2)CC1 ZINC001197125939 811401552 /nfs/dbraw/zinc/40/15/52/811401552.db2.gz QNRGUJDSONRREC-OAHLLOKOSA-N 1 1 290.451 3.066 20 30 CGEDMO CCCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CC23CC3)CC1 ZINC001197263072 811408226 /nfs/dbraw/zinc/40/82/26/811408226.db2.gz WDIHUIMGTBOMHN-INIZCTEOSA-N 1 1 292.467 3.291 20 30 CGEDMO CC#CC[N@@H+]1CCCN(C(=O)C[C@@H](C)CC(C)(C)C)CC1 ZINC001197269097 811408327 /nfs/dbraw/zinc/40/83/27/811408327.db2.gz CHDAMVMNSXLIDL-MRXNPFEDSA-N 1 1 292.467 3.006 20 30 CGEDMO CC#CC[N@H+]1CCCN(C(=O)C[C@@H](C)CC(C)(C)C)CC1 ZINC001197269097 811408332 /nfs/dbraw/zinc/40/83/32/811408332.db2.gz CHDAMVMNSXLIDL-MRXNPFEDSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[N@H+](CC2CC(C)C2)CC1 ZINC001197299994 811413170 /nfs/dbraw/zinc/41/31/70/811413170.db2.gz FCMGFPSZBTYVIR-UHFFFAOYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H](C)CC(C)(C)C)CC1 ZINC001197346736 811417466 /nfs/dbraw/zinc/41/74/66/811417466.db2.gz WPSGAPJFIQFVKM-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(Cl)CN1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001197348962 811418629 /nfs/dbraw/zinc/41/86/29/811418629.db2.gz JWRJARFMPXELRK-AWEZNQCLSA-N 1 1 264.800 3.118 20 30 CGEDMO C=C(CC)C[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@@]2(C)C1 ZINC001197588413 811432643 /nfs/dbraw/zinc/43/26/43/811432643.db2.gz GNJMODMUQMZRMZ-RBUKOAKNSA-N 1 1 284.447 3.407 20 30 CGEDMO C=C(CC)C[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@@]2(C)C1 ZINC001197588413 811432646 /nfs/dbraw/zinc/43/26/46/811432646.db2.gz GNJMODMUQMZRMZ-RBUKOAKNSA-N 1 1 284.447 3.407 20 30 CGEDMO CC#CC[N@@H+]1CCCN(C(=O)[C@@H](C)CCC(C)(C)C)CC1 ZINC001197842353 811457194 /nfs/dbraw/zinc/45/71/94/811457194.db2.gz JWTSSFQVGBQTSP-INIZCTEOSA-N 1 1 292.467 3.006 20 30 CGEDMO CC#CC[N@H+]1CCCN(C(=O)[C@@H](C)CCC(C)(C)C)CC1 ZINC001197842353 811457199 /nfs/dbraw/zinc/45/71/99/811457199.db2.gz JWTSSFQVGBQTSP-INIZCTEOSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CC[N@H+]1CCCN(C(=O)C2(CC=C)CCCCC2)CC1 ZINC001198205229 811485216 /nfs/dbraw/zinc/48/52/16/811485216.db2.gz QESREZGATSFCNG-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@]2(C=Cc3ccccc3O2)C1 ZINC001198243993 811487639 /nfs/dbraw/zinc/48/76/39/811487639.db2.gz XSMFHWBLFAIGCM-MJGOQNOKSA-N 1 1 299.414 3.254 20 30 CGEDMO C=CCC[C@H]1CCC[N@H+]1CCOc1ccccc1C#N ZINC001198406692 811499087 /nfs/dbraw/zinc/49/90/87/811499087.db2.gz LRFMBLLLBAHYCT-INIZCTEOSA-N 1 1 270.376 3.368 20 30 CGEDMO C=CCCC[N@H+](CC)CCN(C)Cc1ccccc1 ZINC001198458567 811506057 /nfs/dbraw/zinc/50/60/57/811506057.db2.gz UXCVZAABONQLOZ-UHFFFAOYSA-N 1 1 260.425 3.407 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1cc(OC)ccc1Cl ZINC001198490859 811508987 /nfs/dbraw/zinc/50/89/87/811508987.db2.gz LWXSHTZQDZJKLQ-LBPRGKRZSA-N 1 1 251.757 3.499 20 30 CGEDMO C#C[C@H]1CCCC[N@@H+]1C[C@H](O)Cc1ccc2ccccc2c1 ZINC001198526845 811511358 /nfs/dbraw/zinc/51/13/58/811511358.db2.gz VOBIMSSWKFEQHJ-VQTJNVASSA-N 1 1 293.410 3.231 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1c[nH]c(Br)c1 ZINC001233436344 818618859 /nfs/dbraw/zinc/61/88/59/818618859.db2.gz IHZATHNBHJGBIV-UHFFFAOYSA-N 1 1 284.201 3.293 20 30 CGEDMO C[NH+](C)Cc1cccc(Nc2cc(C#N)c(F)cc2O)c1 ZINC001201402480 811830991 /nfs/dbraw/zinc/83/09/91/811830991.db2.gz ICFGPBOPNGHUSB-UHFFFAOYSA-N 1 1 285.322 3.208 20 30 CGEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+](C[C@H](C)CC)C2 ZINC001201501699 811872463 /nfs/dbraw/zinc/87/24/63/811872463.db2.gz LJGJPIURKLXFOE-NVXWUHKLSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](CC(CC)CC)C2 ZINC001201526237 811884950 /nfs/dbraw/zinc/88/49/50/811884950.db2.gz UGOWFRRFVSQPDF-ZWKOTPCHSA-N 1 1 295.467 3.496 20 30 CGEDMO CCCC[C@@H](CC)C[N@H+]1CCC2SC(=O)C=C2C1 ZINC001201559430 811903121 /nfs/dbraw/zinc/90/31/21/811903121.db2.gz JSDQJGGJMSCYLV-OCCSQVGLSA-N 1 1 267.438 3.477 20 30 CGEDMO CCCCCCC[N@H+]1CCc2onc(COC)c2C1 ZINC001201762487 811963061 /nfs/dbraw/zinc/96/30/61/811963061.db2.gz MNYGCAMSZXADOB-UHFFFAOYSA-N 1 1 266.385 3.150 20 30 CGEDMO C=CCN1CC[C@@]2(CCC[N@H+](CCCCCCC)C2)C1=O ZINC001201762667 811963462 /nfs/dbraw/zinc/96/34/62/811963462.db2.gz QQWWIXGPBCBCCC-GOSISDBHSA-N 1 1 292.467 3.457 20 30 CGEDMO CCCCCCC[N@@H+]1Cc2c(cnn2C)[C@H](COCC)C1 ZINC001201762802 811963603 /nfs/dbraw/zinc/96/36/03/811963603.db2.gz WAPUOFSELSSSSQ-HNNXBMFYSA-N 1 1 293.455 3.326 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H](C(=O)OC)CC[C@H]1C ZINC001201761596 811963798 /nfs/dbraw/zinc/96/37/98/811963798.db2.gz LPUATGIUBQBRMH-ZIAGYGMSSA-N 1 1 255.402 3.230 20 30 CGEDMO CCCCCCC[N@H+]1CCc2ncnc(CC)c2CC1 ZINC001201777593 811964817 /nfs/dbraw/zinc/96/48/17/811964817.db2.gz ZUXVMZVSGPIASZ-UHFFFAOYSA-N 1 1 275.440 3.410 20 30 CGEDMO CCCCCCC[N@H+]1CCc2cnc(OC)cc2C1 ZINC001201804999 811965872 /nfs/dbraw/zinc/96/58/72/811965872.db2.gz XZOPZAWDHWEFPK-UHFFFAOYSA-N 1 1 262.397 3.419 20 30 CGEDMO CCCCCCCC[N@@H+](CCOC)C1CCN(C)CC1 ZINC001201825599 811967458 /nfs/dbraw/zinc/96/74/58/811967458.db2.gz AEBGSHMOPMXTEP-UHFFFAOYSA-N 1 1 284.488 3.390 20 30 CGEDMO CCCCCCCC[N@H+]1CCCN(c2ncccn2)CC1 ZINC001201826528 811968475 /nfs/dbraw/zinc/96/84/75/811968475.db2.gz ZGLREYQPMXEBMS-UHFFFAOYSA-N 1 1 290.455 3.349 20 30 CGEDMO CCCCCCCCC[N@H+]1CCC[C@H]1C(=O)NCC ZINC001201852508 811972853 /nfs/dbraw/zinc/97/28/53/811972853.db2.gz AWIGROZBNRRHMG-HNNXBMFYSA-N 1 1 268.445 3.338 20 30 CGEDMO N#Cc1ccccc1O[C@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC001202352240 812071107 /nfs/dbraw/zinc/07/11/07/812071107.db2.gz FCSCQYGDVPFDKF-ZDUSSCGKSA-N 1 1 298.308 3.354 20 30 CGEDMO C#Cc1ccc(C[NH2+]Cc2c(O)ccc(Cl)c2F)cc1 ZINC001202474459 812102744 /nfs/dbraw/zinc/10/27/44/812102744.db2.gz BUEODUWXVDMXIH-UHFFFAOYSA-N 1 1 289.737 3.456 20 30 CGEDMO C[N@@H+](CCc1cccc(F)c1)Cc1ccc(C#N)cc1 ZINC001203906701 812488549 /nfs/dbraw/zinc/48/85/49/812488549.db2.gz UPQRABNDVBFLQM-UHFFFAOYSA-N 1 1 268.335 3.372 20 30 CGEDMO COc1ccc2ccccc2c1C[N@@H+]1CC[C@H](C#N)C1 ZINC001203989592 812510958 /nfs/dbraw/zinc/51/09/58/812510958.db2.gz DZGJKZKWIGHKLC-CYBMUJFWSA-N 1 1 266.344 3.194 20 30 CGEDMO COc1ccc2ccccc2c1C[N@H+]1CC[C@H](C#N)C1 ZINC001203989592 812510962 /nfs/dbraw/zinc/51/09/62/812510962.db2.gz DZGJKZKWIGHKLC-CYBMUJFWSA-N 1 1 266.344 3.194 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC001204284768 812596068 /nfs/dbraw/zinc/59/60/68/812596068.db2.gz SVCOWTBZLTWIAN-NSHDSACASA-N 1 1 251.732 3.324 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC001204284768 812596073 /nfs/dbraw/zinc/59/60/73/812596073.db2.gz SVCOWTBZLTWIAN-NSHDSACASA-N 1 1 251.732 3.324 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2c(C)[nH]c3ccccc32)C1 ZINC001204296200 812603093 /nfs/dbraw/zinc/60/30/93/812603093.db2.gz WJYAJHSRSAYNQC-CQSZACIVSA-N 1 1 252.361 3.322 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCc3occc3C2)cc1 ZINC001204303436 812604381 /nfs/dbraw/zinc/60/43/81/812604381.db2.gz HHBGGPIMZIDGOI-UHFFFAOYSA-N 1 1 269.344 3.403 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCc3occc3C2)cc1 ZINC001204303436 812604386 /nfs/dbraw/zinc/60/43/86/812604386.db2.gz HHBGGPIMZIDGOI-UHFFFAOYSA-N 1 1 269.344 3.403 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](OC(C)C)C2)cc1 ZINC001204303647 812606820 /nfs/dbraw/zinc/60/68/20/812606820.db2.gz OSUHNLTUKWPNPZ-KRWDZBQOSA-N 1 1 275.392 3.251 20 30 CGEDMO C#CC[NH+](CC#C)Cc1ccc(OCCCCC)cc1 ZINC001204311364 812609323 /nfs/dbraw/zinc/60/93/23/812609323.db2.gz CCPQGBRHISITHK-UHFFFAOYSA-N 1 1 269.388 3.324 20 30 CGEDMO Cc1cc(C)cc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)c1 ZINC001204520269 812665437 /nfs/dbraw/zinc/66/54/37/812665437.db2.gz XPAWZYKKDPUMNQ-OAHLLOKOSA-N 1 1 273.401 3.078 20 30 CGEDMO Cc1cc(C)cc(C[N@H+]2CCC3SC(=O)C=C3C2)c1 ZINC001204520269 812665451 /nfs/dbraw/zinc/66/54/51/812665451.db2.gz XPAWZYKKDPUMNQ-OAHLLOKOSA-N 1 1 273.401 3.078 20 30 CGEDMO C=CCO[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001205036832 812835491 /nfs/dbraw/zinc/83/54/91/812835491.db2.gz FFVVMOZRADIKQH-BJWYYQGGSA-N 1 1 257.377 3.385 20 30 CGEDMO Cc1ncccc1Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001205345993 812964172 /nfs/dbraw/zinc/96/41/72/812964172.db2.gz MWSJWWDLRCPPGN-UHFFFAOYSA-N 1 1 284.388 3.055 20 30 CGEDMO C=CCC[C@H]([NH2+][C@@H]1CCC[C@H](C)CC1)C(=O)OCC ZINC001205848823 813107162 /nfs/dbraw/zinc/10/71/62/813107162.db2.gz HPUODBCXTKBCMD-ZNMIVQPWSA-N 1 1 267.413 3.443 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)[C@@H](CO)c2ccc(Cl)cc2)cc1 ZINC001205923725 813135742 /nfs/dbraw/zinc/13/57/42/813135742.db2.gz DODUNJCKKSISDF-SFHVURJKSA-N 1 1 299.801 3.487 20 30 CGEDMO C#CC1CC[NH+](Cc2cc(Cl)ccc2F)CC1 ZINC001206033948 813174101 /nfs/dbraw/zinc/17/41/01/813174101.db2.gz FQLHCJSPFZXIDM-UHFFFAOYSA-N 1 1 251.732 3.324 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cc(C)c(C2OCCO2)cc1C ZINC001206720419 813407279 /nfs/dbraw/zinc/40/72/79/813407279.db2.gz GPJOBGOTYWVUHB-UHFFFAOYSA-N 1 1 275.392 3.357 20 30 CGEDMO C[C@]1(C[N@H+]2CCc3c(CC#N)cccc3C2)CCCCO1 ZINC001207008966 813465515 /nfs/dbraw/zinc/46/55/15/813465515.db2.gz QKDWLQYIKADWGB-GOSISDBHSA-N 1 1 284.403 3.070 20 30 CGEDMO Fc1cncc(C[NH+]2CCC(C#Cc3ccccc3)CC2)c1 ZINC001207025036 813467331 /nfs/dbraw/zinc/46/73/31/813467331.db2.gz QLQGYVDITRGWNZ-UHFFFAOYSA-N 1 1 294.373 3.484 20 30 CGEDMO O=C1C=C2C[N@H+](CCC3CCCCC3)CCC2S1 ZINC001207257270 813522601 /nfs/dbraw/zinc/52/26/01/813522601.db2.gz TUCVNZBDLXWPTC-CQSZACIVSA-N 1 1 265.422 3.231 20 30 CGEDMO N#C[C@H]1CCC[N@H+](CCCc2ccccc2F)CC1 ZINC001207494689 813576508 /nfs/dbraw/zinc/57/65/08/813576508.db2.gz HOYWRAPWQCDWDI-AWEZNQCLSA-N 1 1 260.356 3.384 20 30 CGEDMO N#Cc1ccc2c(c1)CC[N@H+](C[C@@H]1C[C@H]3C=C[C@@H]1C3)C2 ZINC001207615859 813614654 /nfs/dbraw/zinc/61/46/54/813614654.db2.gz MIPHGGISXCMJTB-JOQOYGCGSA-N 1 1 264.372 3.129 20 30 CGEDMO CC(C)C1(C[N@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)CC1 ZINC001207689758 813636299 /nfs/dbraw/zinc/63/62/99/813636299.db2.gz WNRSRCNTHTUPTD-KRWDZBQOSA-N 1 1 284.403 3.368 20 30 CGEDMO C=CCCCCCCCCC[N@H+]1CC[C@H](O)[C@@](C)(CO)C1 ZINC001207899221 813667198 /nfs/dbraw/zinc/66/71/98/813667198.db2.gz QBUGTFNIZASGTD-ZWKOTPCHSA-N 1 1 297.483 3.358 20 30 CGEDMO C=CCCCCCCCCC[N@H+]1C[C@@H]2COC[C@H](C1)C2=O ZINC001207900145 813667940 /nfs/dbraw/zinc/66/79/40/813667940.db2.gz WFIFMQLTXXCHOR-CALCHBBNSA-N 1 1 293.451 3.441 20 30 CGEDMO CCCCCCC/C=C/CN1C[C@@H]2C[C@H]1C[N@H+]2C ZINC001208123187 813697518 /nfs/dbraw/zinc/69/75/18/813697518.db2.gz GDXYZSNNGPXNJT-IGXNXKSNSA-N 1 1 250.430 3.291 20 30 CGEDMO CCCCCCC/C=C/C[N@@H+]1C[C@@H]2C[C@H]1CN2C ZINC001208123187 813697522 /nfs/dbraw/zinc/69/75/22/813697522.db2.gz GDXYZSNNGPXNJT-IGXNXKSNSA-N 1 1 250.430 3.291 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1C[C@@H]2C[C@H]1CN2C ZINC001208123187 813697528 /nfs/dbraw/zinc/69/75/28/813697528.db2.gz GDXYZSNNGPXNJT-IGXNXKSNSA-N 1 1 250.430 3.291 20 30 CGEDMO CC/C=C\CCC[N@H+]1CCC2SC(=O)C=C2C1 ZINC001208134975 813701579 /nfs/dbraw/zinc/70/15/79/813701579.db2.gz VHXSHRGVJZWBLK-DHCBQETCSA-N 1 1 251.395 3.007 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C(C)(C)C)C1 ZINC001208324316 813755553 /nfs/dbraw/zinc/75/55/53/813755553.db2.gz ITJDOFWSOFGDBQ-ZIAGYGMSSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C/C=C(/C)C=C)C1 ZINC001208354085 813756237 /nfs/dbraw/zinc/75/62/37/813756237.db2.gz UZAAPOHTLXFNKT-TWGHKHKGSA-N 1 1 290.451 3.300 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1C[N@@H+](CC/C=C/CC)C[C@H]1C ZINC001208452615 813761713 /nfs/dbraw/zinc/76/17/13/813761713.db2.gz URFUUSKBDZEIQH-CGMDNHBQSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1C ZINC001208458725 813762311 /nfs/dbraw/zinc/76/23/11/813762311.db2.gz VDEMEZJNGQBVON-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)CCC)C1 ZINC001208471939 813763607 /nfs/dbraw/zinc/76/36/07/813763607.db2.gz GBPBJGZQXZRCPR-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO CO[C@@H]1CCC[C@@H]2C[N@@H+](CCCc3cccc(C#N)c3)C[C@@H]21 ZINC001208852720 813866530 /nfs/dbraw/zinc/86/65/30/813866530.db2.gz RKBOHRFVDBEBFO-CEXWTWQISA-N 1 1 298.430 3.238 20 30 CGEDMO N#Cc1cccc(CCC[N@@H+]2CCC[C@@H](C(F)F)C2)c1 ZINC001208853080 813867407 /nfs/dbraw/zinc/86/74/07/813867407.db2.gz BWUYYLNMGRTFHF-OAHLLOKOSA-N 1 1 278.346 3.468 20 30 CGEDMO C[C@]1(F)CC[N@@H+](CCCc2ccc(C#N)cc2)C[C@H]1F ZINC001208855778 813869084 /nfs/dbraw/zinc/86/90/84/813869084.db2.gz HIUJWMVNLZJUMU-CVEARBPZSA-N 1 1 278.346 3.263 20 30 CGEDMO N#Cc1cccc(CCC[N@H+]2CCC[C@@H]2c2ncccn2)c1 ZINC001208860613 813872318 /nfs/dbraw/zinc/87/23/18/813872318.db2.gz QBRHGQLPCRSZNM-QGZVFWFLSA-N 1 1 292.386 3.118 20 30 CGEDMO C[N@H+](CCCc1ccc(C#N)cc1)Cc1nccs1 ZINC001208862772 813872882 /nfs/dbraw/zinc/87/28/82/813872882.db2.gz PPEKYUZMYQYLHW-UHFFFAOYSA-N 1 1 271.389 3.079 20 30 CGEDMO C[N@@H+](CCCc1ccc(C#N)cc1)Cc1nccs1 ZINC001208862772 813872891 /nfs/dbraw/zinc/87/28/91/813872891.db2.gz PPEKYUZMYQYLHW-UHFFFAOYSA-N 1 1 271.389 3.079 20 30 CGEDMO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](C[C@H]2CCC=CO2)C1 ZINC001208880849 813878944 /nfs/dbraw/zinc/87/89/44/813878944.db2.gz PSYPQIVYVNFQDO-IAGOWNOFSA-N 1 1 298.386 3.094 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCc2ccc(C#N)cc2)C[C@H]1C ZINC001208921101 813901443 /nfs/dbraw/zinc/90/14/43/813901443.db2.gz ZDPFHGFODISPHX-HUUCEWRRSA-N 1 1 256.393 3.469 20 30 CGEDMO Cc1ccc2c(c1)C[N@H+](CCc1ccc(C#N)cc1)CC2 ZINC001208920866 813902268 /nfs/dbraw/zinc/90/22/68/813902268.db2.gz SFRFICRYDCKDEP-UHFFFAOYSA-N 1 1 276.383 3.468 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCOC[C@@H]2C2CCCCC2)cc1 ZINC001208928777 813903311 /nfs/dbraw/zinc/90/33/11/813903311.db2.gz IHOLTCPGIBOGOX-LJQANCHMSA-N 1 1 298.430 3.382 20 30 CGEDMO N#Cc1ccc(CC[N@@H+]2CCc3ncc(Cl)cc3C2)cc1 ZINC001208929798 813904741 /nfs/dbraw/zinc/90/47/41/813904741.db2.gz UDUZSRULLADPOC-UHFFFAOYSA-N 1 1 297.789 3.207 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](C[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC001208940504 813908103 /nfs/dbraw/zinc/90/81/03/813908103.db2.gz SLQCAXKKVIJEIC-UYAOXDASSA-N 1 1 296.458 3.244 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](C[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC001208940504 813908110 /nfs/dbraw/zinc/90/81/10/813908110.db2.gz SLQCAXKKVIJEIC-UYAOXDASSA-N 1 1 296.458 3.244 20 30 CGEDMO CCCCN(CC#N)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208953563 813911022 /nfs/dbraw/zinc/91/10/22/813911022.db2.gz QVQJBMLVGRKPQD-GOSISDBHSA-N 1 1 285.435 3.134 20 30 CGEDMO C=CC[NH+]1CCN(CCc2ccc(C(F)(F)F)cc2)CC1 ZINC001209128239 813943948 /nfs/dbraw/zinc/94/39/48/813943948.db2.gz HRJUUKFLRHYHKA-UHFFFAOYSA-N 1 1 298.352 3.052 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001209156904 813950063 /nfs/dbraw/zinc/95/00/63/813950063.db2.gz JKRFKYQQKGCGTH-ZIAGYGMSSA-N 1 1 282.428 3.188 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001209156626 813950101 /nfs/dbraw/zinc/95/01/01/813950101.db2.gz FPXWRABEHGOIMD-KRWDZBQOSA-N 1 1 294.439 3.428 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]2[C@H]1CN2C(=O)OC(C)(C)C ZINC001209158404 813951336 /nfs/dbraw/zinc/95/13/36/813951336.db2.gz NGWUVEMNTFAKHX-ZIAGYGMSSA-N 1 1 280.412 3.036 20 30 CGEDMO C=CC[N@H+](CCCC(C)(C)OC(C)=O)C(C)(C)C ZINC001209158844 813951560 /nfs/dbraw/zinc/95/15/60/813951560.db2.gz MPIMZYVKIPNVIO-UHFFFAOYSA-N 1 1 255.402 3.395 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@]2(CCC(=O)N2CC=C)[C@@H]1CC ZINC001209158432 813951623 /nfs/dbraw/zinc/95/16/23/813951623.db2.gz OIXFBKHOYLPYLA-WMZOPIPTSA-N 1 1 290.451 3.374 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]2O[C@@H](COCC(C)C)CC[C@H]21 ZINC001209161236 813951884 /nfs/dbraw/zinc/95/18/84/813951884.db2.gz JTZYCSDMTCJBFC-BRWVUGGUSA-N 1 1 281.440 3.247 20 30 CGEDMO C=CCCC[N@H+]1CCO[C@]2(CCC[C@H]2COCC=C)C1 ZINC001209161556 813952243 /nfs/dbraw/zinc/95/22/43/813952243.db2.gz MHRHKPHFDOFMIW-DLBZAZTESA-N 1 1 279.424 3.026 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]1CC(=O)OC(C)(C)C ZINC001209162638 813953527 /nfs/dbraw/zinc/95/35/27/813953527.db2.gz JZFNEXNIUBKMQO-ZDUSSCGKSA-N 1 1 253.386 3.149 20 30 CGEDMO C=CCCC[N@@H+]1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001209163664 813953819 /nfs/dbraw/zinc/95/38/19/813953819.db2.gz GUXGTBMCHJBKRM-LLVKDONJSA-N 1 1 259.275 3.309 20 30 CGEDMO C=CCCC[N@H+]1CCCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001209161902 813953864 /nfs/dbraw/zinc/95/38/64/813953864.db2.gz GPXOKDRHPYGYTE-AWEZNQCLSA-N 1 1 282.428 3.284 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC001209163717 813954187 /nfs/dbraw/zinc/95/41/87/813954187.db2.gz IPMRRUVOZFSFFX-ZDUSSCGKSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CCCCC[N@H+](CCc1ccc(OC)cc1)C[C@@H](C)O ZINC001209201880 813964582 /nfs/dbraw/zinc/96/45/82/813964582.db2.gz XQXWECGNDXRITR-MRXNPFEDSA-N 1 1 291.435 3.277 20 30 CGEDMO C=CCCCC[N@@H+]1CCCC[C@](O)(C(F)(F)F)C1 ZINC001209201888 813964666 /nfs/dbraw/zinc/96/46/66/813964666.db2.gz XWUZXBOPBTYDQS-GFCCVEGCSA-N 1 1 265.319 3.122 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001209200431 813964911 /nfs/dbraw/zinc/96/49/11/813964911.db2.gz IEMXXJSNMYUYBQ-STQMWFEESA-N 1 1 279.346 3.368 20 30 CGEDMO C=CCCCC[N@@H+]1C[C@H]2c3ccccc3C(=O)[C@H]2C1 ZINC001209200559 813965139 /nfs/dbraw/zinc/96/51/39/813965139.db2.gz JTFOZUSHGKKSIP-HOTGVXAUSA-N 1 1 255.361 3.255 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC001209201140 813965551 /nfs/dbraw/zinc/96/55/51/813965551.db2.gz VNLPYDPUXLNNCU-LSDHHAIUSA-N 1 1 294.439 3.426 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC001209202815 813966082 /nfs/dbraw/zinc/96/60/82/813966082.db2.gz QREDSVVALFAALC-INIZCTEOSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCCCC[N@@H+]1C[C@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC001209207774 813967926 /nfs/dbraw/zinc/96/79/26/813967926.db2.gz FYFJBMVJISPYOT-SJORKVTESA-N 1 1 287.403 3.231 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@@H](C(=O)OCCCC)C1 ZINC001209208167 813967979 /nfs/dbraw/zinc/96/79/79/813967979.db2.gz KWTBVSCRAKTTRZ-CQSZACIVSA-N 1 1 253.386 3.008 20 30 CGEDMO C=CCCCC[N@H+](C)CCN(C)Cc1ccccc1 ZINC001209207157 813968738 /nfs/dbraw/zinc/96/87/38/813968738.db2.gz MZVBZVXHCLMPEG-UHFFFAOYSA-N 1 1 260.425 3.407 20 30 CGEDMO C#CCCCN1CCC([N@H+](CC)Cc2ccccc2)CC1 ZINC001209266381 813988276 /nfs/dbraw/zinc/98/82/76/813988276.db2.gz WHJCFOTZFUPJTF-UHFFFAOYSA-N 1 1 284.447 3.386 20 30 CGEDMO C#CCCCN1CCC([N@@H+](CC)Cc2ccccc2)CC1 ZINC001209266381 813988278 /nfs/dbraw/zinc/98/82/78/813988278.db2.gz WHJCFOTZFUPJTF-UHFFFAOYSA-N 1 1 284.447 3.386 20 30 CGEDMO C#CCCC[N@@H+]1CCCC[C@@H]1[C@@H](C(=O)OC)c1ccccc1 ZINC001209269980 813989422 /nfs/dbraw/zinc/98/94/22/813989422.db2.gz SSCHCPXMTBYZRY-MSOLQXFVSA-N 1 1 299.414 3.211 20 30 CGEDMO C#CCCC[N@@H+]1CCSC[C@H]1c1cccc(OC)c1 ZINC001209267543 813990164 /nfs/dbraw/zinc/99/01/64/813990164.db2.gz IWTWKXXGAGPPIH-INIZCTEOSA-N 1 1 275.417 3.199 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](CC2Cc3ccccc3C2)CC1 ZINC001209321760 813998152 /nfs/dbraw/zinc/99/81/52/813998152.db2.gz KCJCCAUQZOTXNX-AWEZNQCLSA-N 1 1 254.377 3.027 20 30 CGEDMO C[C@@H]1CC(C[N@H+]2CCc3cc(C#N)ccc3C2)C[C@@H](C)O1 ZINC001209384603 814009687 /nfs/dbraw/zinc/00/96/87/814009687.db2.gz NVNRKZIUZBXODP-ZIAGYGMSSA-N 1 1 284.403 3.120 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@H](C(=O)OC)CC[C@H]1C ZINC001209423422 814026641 /nfs/dbraw/zinc/02/66/41/814026641.db2.gz PNBPPKCQUFQDJJ-ZIAGYGMSSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CCCCCCC[N@H+]1Cc2ncn(C)c2[C@H](COC)C1 ZINC001209435147 814035228 /nfs/dbraw/zinc/03/52/28/814035228.db2.gz FCMHHPOBIRLFSF-HNNXBMFYSA-N 1 1 291.439 3.102 20 30 CGEDMO C=CCCCCCC[N@H+]1CCC[C@@]2(CCCC(=O)N2)C1 ZINC001209437886 814037627 /nfs/dbraw/zinc/03/76/27/814037627.db2.gz XVHUHMHKBLQDJO-KRWDZBQOSA-N 1 1 278.440 3.258 20 30 CGEDMO C=CCCCCCC[N@H+]1CC[C@@H](Oc2ncccn2)C1 ZINC001209438590 814039052 /nfs/dbraw/zinc/03/90/52/814039052.db2.gz OTCSJOPYXGCPGS-OAHLLOKOSA-N 1 1 275.396 3.066 20 30 CGEDMO C=CCCCCCC[NH+]1C[C@@H]2CN(CC)C[C@H]2C1 ZINC001209438928 814039321 /nfs/dbraw/zinc/03/93/21/814039321.db2.gz YHWJSZSCWYGOPY-HOTGVXAUSA-N 1 1 250.430 3.006 20 30 CGEDMO C=CCCCCCC[N@@H+]1CCC[C@@H](CC(=O)OC)C1 ZINC001209441462 814040251 /nfs/dbraw/zinc/04/02/51/814040251.db2.gz WZURTANHWIZRRC-HNNXBMFYSA-N 1 1 267.413 3.398 20 30 CGEDMO Cc1cc(Cl)ncc1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001209636487 814104221 /nfs/dbraw/zinc/10/42/21/814104221.db2.gz WBVFDMPGEFZCTL-DEZZGGKRSA-N 1 1 275.783 3.310 20 30 CGEDMO Cc1cc(Cl)ncc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001209636487 814104226 /nfs/dbraw/zinc/10/42/26/814104226.db2.gz WBVFDMPGEFZCTL-DEZZGGKRSA-N 1 1 275.783 3.310 20 30 CGEDMO COc1ccc(Nc2ccc3[nH]c[nH+]c3c2)cc1C#N ZINC001209846399 814163515 /nfs/dbraw/zinc/16/35/15/814163515.db2.gz BPYBKCVTSMRKFR-UHFFFAOYSA-N 1 1 264.288 3.187 20 30 CGEDMO N#Cc1cc(F)c(F)cc1Nc1ccc2[nH]c[nH+]c2c1 ZINC001209851665 814170448 /nfs/dbraw/zinc/17/04/48/814170448.db2.gz NAKDKRHMAUOFIJ-UHFFFAOYSA-N 1 1 270.242 3.456 20 30 CGEDMO Cc1cn2cc(NC3=CC(=O)CC(C)(C)C3)ccc2[nH+]1 ZINC001210149358 814312380 /nfs/dbraw/zinc/31/23/80/814312380.db2.gz PSXRECYQICFAET-UHFFFAOYSA-N 1 1 269.348 3.328 20 30 CGEDMO C[C@H]1CC(=O)C=C(c2ccc(C[N@H+](C)C3CC3)cn2)C1 ZINC001242738585 823116577 /nfs/dbraw/zinc/11/65/77/823116577.db2.gz VZFUWWILEFPEIB-GFCCVEGCSA-N 1 1 270.376 3.058 20 30 CGEDMO C[C@H]1CC(=O)C=C(c2ccc(C[N@@H+](C)C3CC3)cn2)C1 ZINC001242738585 823116582 /nfs/dbraw/zinc/11/65/82/823116582.db2.gz VZFUWWILEFPEIB-GFCCVEGCSA-N 1 1 270.376 3.058 20 30 CGEDMO CC[N@H+]1CCc2cc(C3=CC(=O)C[C@@H](C)C3)ccc2C1 ZINC001242740057 823117511 /nfs/dbraw/zinc/11/75/11/823117511.db2.gz VAVXRFIPCBIHIK-ZDUSSCGKSA-N 1 1 269.388 3.447 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001210307629 814395676 /nfs/dbraw/zinc/39/56/76/814395676.db2.gz QDWKOIGMCBXNHO-RRFJBIMHSA-N 1 1 280.456 3.071 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](CC)C(C)C)C1 ZINC001210415719 814451270 /nfs/dbraw/zinc/45/12/70/814451270.db2.gz AHNFCSMUAJNKLD-OWCLPIDISA-N 1 1 280.456 3.071 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(CC)CC)C1 ZINC001211177642 814842636 /nfs/dbraw/zinc/84/26/36/814842636.db2.gz OQWDOUGTHYRNSQ-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC2CCCC2)C1 ZINC001211393070 814888513 /nfs/dbraw/zinc/88/85/13/814888513.db2.gz ANWRPIFKAYLJNJ-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nnc([C@H]2C[C@H]2c2ccc(C)cc2)o1 ZINC001217757612 815955482 /nfs/dbraw/zinc/95/54/82/815955482.db2.gz PLPHGSFRQQXHSQ-JYJNAYRXSA-N 1 1 295.386 3.452 20 30 CGEDMO C=CCCCC(=O)N1C[C@H]2CC[N@H+](CCCCCF)C[C@H]21 ZINC001221782735 816328945 /nfs/dbraw/zinc/32/89/45/816328945.db2.gz KWHYPJQAEPKUNF-HZPDHXFCSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCCCCCCN1CCC[C@@]12CCC[NH2+]C2 ZINC001222238092 816383371 /nfs/dbraw/zinc/38/33/71/816383371.db2.gz ZPFQALRYDRRMOG-MRXNPFEDSA-N 1 1 250.430 3.341 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCC(C)C)C[C@@H]21 ZINC001222257378 816388936 /nfs/dbraw/zinc/38/89/36/816388936.db2.gz KMYQYCYSMUDAKZ-SJORKVTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCn1cc(-c2ccc(C(=[NH2+])OCC)cc2)cn1 ZINC001222405820 816436302 /nfs/dbraw/zinc/43/63/02/816436302.db2.gz ZMFKLIVLAFBKSR-UHFFFAOYSA-N 1 1 255.321 3.098 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H](C)CC)C[C@@H]21 ZINC001222607352 816476577 /nfs/dbraw/zinc/47/65/77/816476577.db2.gz ASHXAXQZNULTGO-ZACQAIPSSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)/C=C(\C)CC)C[C@@H]21 ZINC001222644948 816489371 /nfs/dbraw/zinc/48/93/71/816489371.db2.gz ISBSMSNHSGIVRC-NZETUCKYSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)/C=C(\C)CC)C[C@@H]21 ZINC001222644948 816489374 /nfs/dbraw/zinc/48/93/74/816489374.db2.gz ISBSMSNHSGIVRC-NZETUCKYSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]2CC[N@H+](CCC(=C)C)[C@H]2C1 ZINC001222780827 816517217 /nfs/dbraw/zinc/51/72/17/816517217.db2.gz FNLSSPXYKSGMBO-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2CC[N@@H+](CC(=C)C)[C@H]2C1 ZINC001223344495 816610583 /nfs/dbraw/zinc/61/05/83/816610583.db2.gz LHVYGWZRQBSTPE-BBWFWOEESA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](CCCC)[C@H]2C1 ZINC001223580495 816653360 /nfs/dbraw/zinc/65/33/60/816653360.db2.gz QXWJLHHASOVYFC-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)CC(C)=C(C)C)CC1 ZINC001224074000 816730886 /nfs/dbraw/zinc/73/08/86/816730886.db2.gz FOCQWGYNGOYGPC-UHFFFAOYSA-N 1 1 298.858 3.314 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)C2(C(C)C)CC2)CC1 ZINC001224461539 816807990 /nfs/dbraw/zinc/80/79/90/816807990.db2.gz JFLWFVXJWIXAHA-UHFFFAOYSA-N 1 1 298.858 3.003 20 30 CGEDMO C=CCOc1ccccc1[C@@H](C)OC[C@@H]1CCC[N@H+]1C ZINC001224817618 816890019 /nfs/dbraw/zinc/89/00/19/816890019.db2.gz VQVQQAQMEAGUFF-CABCVRRESA-N 1 1 275.392 3.423 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OCC1(C#N)CC1 ZINC001224949139 816915618 /nfs/dbraw/zinc/91/56/18/816915618.db2.gz YOGQAGOLRNDPHK-DOTOQJQBSA-N 1 1 284.403 3.217 20 30 CGEDMO O/N=C/c1cccc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001226110424 817275507 /nfs/dbraw/zinc/27/55/07/817275507.db2.gz RYNHDLORVGYTQT-LSCADSNKSA-N 1 1 296.370 3.148 20 30 CGEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1nc(C(C)(C)C)ccc1C#N)C2 ZINC001226546038 817392121 /nfs/dbraw/zinc/39/21/21/817392121.db2.gz DKTFGBOHVYGJTF-QDMKHBRRSA-N 1 1 299.418 3.255 20 30 CGEDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc(C#N)ccc1F)C2 ZINC001227057472 817545686 /nfs/dbraw/zinc/54/56/86/817545686.db2.gz BSVTZCNPRPGDPI-FICVDOATSA-N 1 1 288.366 3.480 20 30 CGEDMO C#CC[C@@H](C)Oc1ccc(Br)c(C[NH+](C)C)c1 ZINC001228546388 817933882 /nfs/dbraw/zinc/93/38/82/817933882.db2.gz VVYYMJKQZOJPGE-LLVKDONJSA-N 1 1 296.208 3.301 20 30 CGEDMO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1C[C@@H](C)CC(C)C ZINC001231169507 818051295 /nfs/dbraw/zinc/05/12/95/818051295.db2.gz HVQYKTCZZRDNKT-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC[N@@H+](C)CCCNC(=O)c1sccc1C ZINC001231295330 818071509 /nfs/dbraw/zinc/07/15/09/818071509.db2.gz PGXYFEUNHSFPGU-UHFFFAOYSA-N 1 1 280.437 3.074 20 30 CGEDMO C=C(C)C(=O)Nc1ccc(O[C@@H]2CCC[N@H+](C)CC2)cc1 ZINC001231315679 818075199 /nfs/dbraw/zinc/07/51/99/818075199.db2.gz WPGKEHDFLFFUJF-OAHLLOKOSA-N 1 1 288.391 3.064 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(OC(=O)C(C)C)c(OCC)c1 ZINC001231560135 818124915 /nfs/dbraw/zinc/12/49/15/818124915.db2.gz SLVBVLDWMGMXSR-UHFFFAOYSA-N 1 1 291.391 3.265 20 30 CGEDMO OC[C@H]1CCC[N@H+]1Cc1ccccc1C#Cc1ccccc1 ZINC001231576924 818126728 /nfs/dbraw/zinc/12/67/28/818126728.db2.gz KFUJRTUCXUHEGJ-HXUWFJFHSA-N 1 1 291.394 3.043 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCc3cccnc3C2)c1 ZINC001231624574 818140701 /nfs/dbraw/zinc/14/07/01/818140701.db2.gz QLTKIYQLNXVTRB-UHFFFAOYSA-N 1 1 280.371 3.205 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCc3cccnc3C2)c1 ZINC001231624574 818140704 /nfs/dbraw/zinc/14/07/04/818140704.db2.gz QLTKIYQLNXVTRB-UHFFFAOYSA-N 1 1 280.371 3.205 20 30 CGEDMO C#Cc1cccc(C[N@@H+](C)CCOc2ccccc2)c1 ZINC001231659015 818150135 /nfs/dbraw/zinc/15/01/35/818150135.db2.gz DEZKUGSFXJMELR-UHFFFAOYSA-N 1 1 265.356 3.179 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CC[C@](CF)(C(F)(F)F)C2)c1 ZINC001231657331 818150421 /nfs/dbraw/zinc/15/04/21/818150421.db2.gz IYKAANBYEWIUPS-CQSZACIVSA-N 1 1 285.284 3.392 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CCC[C@@H]2c2cccnc2)c1 ZINC001231656825 818150983 /nfs/dbraw/zinc/15/09/83/818150983.db2.gz SZUALQHSXGRSGC-GOSISDBHSA-N 1 1 262.356 3.400 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)c1 ZINC001231660540 818151584 /nfs/dbraw/zinc/15/15/84/818151584.db2.gz HRQOCJOKYJWAAC-FQEVSTJZSA-N 1 1 291.394 3.111 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)c1 ZINC001231660540 818151587 /nfs/dbraw/zinc/15/15/87/818151587.db2.gz HRQOCJOKYJWAAC-FQEVSTJZSA-N 1 1 291.394 3.111 20 30 CGEDMO C#Cc1cccc(C[N@H+](C)CCc2ccccc2OC)c1 ZINC001231664106 818153145 /nfs/dbraw/zinc/15/31/45/818153145.db2.gz WCNMIXNJWPYJCH-UHFFFAOYSA-N 1 1 279.383 3.351 20 30 CGEDMO C#Cc1cccc(C[N@H+](C)Cc2cn3ccc(C)cc3n2)c1 ZINC001231662194 818153383 /nfs/dbraw/zinc/15/33/83/818153383.db2.gz BTUNOFOKFHHNFA-UHFFFAOYSA-N 1 1 289.382 3.256 20 30 CGEDMO C#Cc1cccc(C[N@@H+](C)Cc2cn3ccc(C)cc3n2)c1 ZINC001231662194 818153387 /nfs/dbraw/zinc/15/33/87/818153387.db2.gz BTUNOFOKFHHNFA-UHFFFAOYSA-N 1 1 289.382 3.256 20 30 CGEDMO Cc1cc(C)c(C[N@H+]2CCc3ccc(C#N)cc3C2)c(O)c1 ZINC001231842451 818186466 /nfs/dbraw/zinc/18/64/66/818186466.db2.gz MIZNCRXXHQLEHB-UHFFFAOYSA-N 1 1 292.382 3.439 20 30 CGEDMO C[N@@H+](Cc1cc2ncccc2[nH]1)Cc1ccc(C#N)cc1 ZINC001232070311 818245564 /nfs/dbraw/zinc/24/55/64/818245564.db2.gz QVYFTXZRKQUDBE-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)cc1Cl ZINC001232111881 818258628 /nfs/dbraw/zinc/25/86/28/818258628.db2.gz LDBBUEJTBGDYFR-NEPJUHHUSA-N 1 1 282.721 3.299 20 30 CGEDMO CSc1cc(C)c(C[N@H+]2CCC[C@@H](C#N)CC2)cn1 ZINC001232349139 818326827 /nfs/dbraw/zinc/32/68/27/818326827.db2.gz YZXXCEFSBWLPOM-CYBMUJFWSA-N 1 1 275.421 3.238 20 30 CGEDMO N#Cc1ccnc(C[N@H+]2CCC3(C2)CCCCC3)c1 ZINC001232482864 818366666 /nfs/dbraw/zinc/36/66/66/818366666.db2.gz ZBIVVQUIRGTRAU-UHFFFAOYSA-N 1 1 255.365 3.109 20 30 CGEDMO COc1cccc(C)c1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001232624885 818403392 /nfs/dbraw/zinc/40/33/92/818403392.db2.gz HQMUELXWGDTPDK-AWEZNQCLSA-N 1 1 258.365 3.129 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cncc2cnccc21 ZINC001232654007 818412223 /nfs/dbraw/zinc/41/22/23/818412223.db2.gz MWWVZJGNVQBRTR-UHFFFAOYSA-N 1 1 288.354 3.133 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)s1)Cc1ccccc1O ZINC001232847159 818455095 /nfs/dbraw/zinc/45/50/95/818455095.db2.gz SHUJVWIWYAQVPN-UHFFFAOYSA-N 1 1 272.373 3.347 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)s1 ZINC001232844017 818455258 /nfs/dbraw/zinc/45/52/58/818455258.db2.gz DSDBSLJMKWCBHI-AOOOYVTPSA-N 1 1 268.332 3.097 20 30 CGEDMO CC(C)[N@@H+](C)Cc1ccc(Br)c(C#N)c1 ZINC001232892234 818467111 /nfs/dbraw/zinc/46/71/11/818467111.db2.gz DVWLNRYFXSOAIW-UHFFFAOYSA-N 1 1 267.170 3.161 20 30 CGEDMO CC[N@@H+](Cc1ccc(Br)c(C#N)c1)C1CC1 ZINC001232892267 818467223 /nfs/dbraw/zinc/46/72/23/818467223.db2.gz FWBVIYGZSOGOKA-UHFFFAOYSA-N 1 1 279.181 3.305 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]2c2ccccc2F)n1 ZINC001232924623 818473822 /nfs/dbraw/zinc/47/38/22/818473822.db2.gz OXSHLSSMHRXOEF-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2c2ccccc2F)n1 ZINC001232924623 818473825 /nfs/dbraw/zinc/47/38/25/818473825.db2.gz OXSHLSSMHRXOEF-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2ncoc2c1 ZINC001232940567 818478969 /nfs/dbraw/zinc/47/89/69/818478969.db2.gz BXTUXHGBAHLVDU-UHFFFAOYSA-N 1 1 277.327 3.331 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@@H](c3cccnc3)C2)c(C#N)c1 ZINC001232965995 818485425 /nfs/dbraw/zinc/48/54/25/818485425.db2.gz CSMBTXFRTXRYQL-QGZVFWFLSA-N 1 1 277.371 3.251 20 30 CGEDMO C=CCCCC[N@@H+](C)Cc1cc(O)c(F)c(F)c1 ZINC001232976039 818489907 /nfs/dbraw/zinc/48/99/07/818489907.db2.gz UNYXFJCVXNAGSF-UHFFFAOYSA-N 1 1 255.308 3.459 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cc(O)c(F)c(F)c1 ZINC001232976039 818489912 /nfs/dbraw/zinc/48/99/12/818489912.db2.gz UNYXFJCVXNAGSF-UHFFFAOYSA-N 1 1 255.308 3.459 20 30 CGEDMO N#Cc1cc[nH]c1C[NH+]1CCC(c2cccs2)CC1 ZINC001233043993 818508716 /nfs/dbraw/zinc/50/87/16/818508716.db2.gz JOGRXDSSHGXHRW-UHFFFAOYSA-N 1 1 271.389 3.327 20 30 CGEDMO N#Cc1ccc2c(c1)CC[N@@H+](Cc1ccc(N)cc1Cl)C2 ZINC001233373774 818600824 /nfs/dbraw/zinc/60/08/24/818600824.db2.gz BNMVMLCJJQJUQR-UHFFFAOYSA-N 1 1 297.789 3.352 20 30 CGEDMO N#Cc1ccc2c(c1)CC[N@H+](Cc1ccc(N)cc1Cl)C2 ZINC001233373774 818600828 /nfs/dbraw/zinc/60/08/28/818600828.db2.gz BNMVMLCJJQJUQR-UHFFFAOYSA-N 1 1 297.789 3.352 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)c(F)cc1N ZINC001233380369 818605178 /nfs/dbraw/zinc/60/51/78/818605178.db2.gz NJTGPEYRRWUKEF-UHFFFAOYSA-N 1 1 287.313 3.051 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)c(F)cc1N ZINC001233380369 818605173 /nfs/dbraw/zinc/60/51/73/818605173.db2.gz NJTGPEYRRWUKEF-UHFFFAOYSA-N 1 1 287.313 3.051 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCC3(CC(F)C3)CC2)c([O-])c1 ZINC001233386942 818606403 /nfs/dbraw/zinc/60/64/03/818606403.db2.gz OGLBAKPWBQDOIA-UHFFFAOYSA-N 1 1 288.366 3.368 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCCC3(CC(F)C3)CC2)c(O)c1 ZINC001233386942 818606409 /nfs/dbraw/zinc/60/64/09/818606409.db2.gz OGLBAKPWBQDOIA-UHFFFAOYSA-N 1 1 288.366 3.368 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCC3(CC(F)C3)CC2)c(O)c1 ZINC001233386942 818606411 /nfs/dbraw/zinc/60/64/11/818606411.db2.gz OGLBAKPWBQDOIA-UHFFFAOYSA-N 1 1 288.366 3.368 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1[O-] ZINC001233386963 818607132 /nfs/dbraw/zinc/60/71/32/818607132.db2.gz OUVYUZKBZWWUAE-UHFFFAOYSA-N 1 1 278.355 3.452 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)Cc1ccc(C#N)cc1O ZINC001233386963 818607137 /nfs/dbraw/zinc/60/71/37/818607137.db2.gz OUVYUZKBZWWUAE-UHFFFAOYSA-N 1 1 278.355 3.452 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1O ZINC001233386963 818607140 /nfs/dbraw/zinc/60/71/40/818607140.db2.gz OUVYUZKBZWWUAE-UHFFFAOYSA-N 1 1 278.355 3.452 20 30 CGEDMO Cc1cccc(CC[N@@H+](C)Cc2ccc(C#N)cc2O)c1 ZINC001233386396 818607303 /nfs/dbraw/zinc/60/73/03/818607303.db2.gz RWWSYKDKHSLGQG-UHFFFAOYSA-N 1 1 280.371 3.247 20 30 CGEDMO Cc1cccc(CC[N@H+](C)Cc2ccc(C#N)cc2O)c1 ZINC001233386396 818607306 /nfs/dbraw/zinc/60/73/06/818607306.db2.gz RWWSYKDKHSLGQG-UHFFFAOYSA-N 1 1 280.371 3.247 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC23CCCCC3)c(O)c1 ZINC001233384345 818607516 /nfs/dbraw/zinc/60/75/16/818607516.db2.gz RXFQNVCHWHFOHH-UHFFFAOYSA-N 1 1 256.349 3.172 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC23CCCCC3)c(O)c1 ZINC001233384345 818607520 /nfs/dbraw/zinc/60/75/20/818607520.db2.gz RXFQNVCHWHFOHH-UHFFFAOYSA-N 1 1 256.349 3.172 20 30 CGEDMO CC[N@@H+](Cc1cccs1)Cc1ccc(C#N)cc1[O-] ZINC001233387525 818607793 /nfs/dbraw/zinc/60/77/93/818607793.db2.gz MNEQTTUGPHGAOH-UHFFFAOYSA-N 1 1 272.373 3.347 20 30 CGEDMO CC[N@H+](Cc1cccs1)Cc1ccc(C#N)cc1O ZINC001233387525 818607799 /nfs/dbraw/zinc/60/77/99/818607799.db2.gz MNEQTTUGPHGAOH-UHFFFAOYSA-N 1 1 272.373 3.347 20 30 CGEDMO CC[N@@H+](Cc1cccs1)Cc1ccc(C#N)cc1O ZINC001233387525 818607803 /nfs/dbraw/zinc/60/78/03/818607803.db2.gz MNEQTTUGPHGAOH-UHFFFAOYSA-N 1 1 272.373 3.347 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1c[nH]c(Br)c1 ZINC001233436344 818618855 /nfs/dbraw/zinc/61/88/55/818618855.db2.gz IHZATHNBHJGBIV-UHFFFAOYSA-N 1 1 284.201 3.293 20 30 CGEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc(Cl)c(C#N)c1)C2 ZINC001233920490 818730502 /nfs/dbraw/zinc/73/05/02/818730502.db2.gz HCIXIBHRLWNZHA-DABQJJPHSA-N 1 1 276.767 3.216 20 30 CGEDMO C#CCCCC(=O)N(C)C[C@H]1CC[N@H+]1CCCCCC=C ZINC001233948194 818737224 /nfs/dbraw/zinc/73/72/24/818737224.db2.gz RXCBSQFEWQYQMY-QGZVFWFLSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)CCCC ZINC001234038384 818763292 /nfs/dbraw/zinc/76/32/92/818763292.db2.gz AVMNQQWWNQKZOV-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCCCC(C)(C)C ZINC001234510275 818870656 /nfs/dbraw/zinc/87/06/56/818870656.db2.gz WKDDXSNDLZYYHL-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)C(=C)Cl ZINC001234555590 818880485 /nfs/dbraw/zinc/88/04/85/818880485.db2.gz XDCMSRWLOGKLCD-CQSZACIVSA-N 1 1 298.858 3.264 20 30 CGEDMO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1CCC(C)(C)C ZINC001234614415 818892163 /nfs/dbraw/zinc/89/21/63/818892163.db2.gz RMRZREBFVALDIX-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccccc1C=NO)C2 ZINC001234820282 818926692 /nfs/dbraw/zinc/92/66/92/818926692.db2.gz URBCGYNDRYDSQU-ZSHCYNCHSA-N 1 1 288.391 3.277 20 30 CGEDMO C=CCCCCC[N@H+](C)CCCNC(=O)CC(F)(F)F ZINC001235043718 818990890 /nfs/dbraw/zinc/99/08/90/818990890.db2.gz ORMVDYKRRVLPGI-UHFFFAOYSA-N 1 1 294.361 3.123 20 30 CGEDMO Cc1cc(F)c(C[N@@H+]2CCC[C@H](C#N)CC2)c(F)c1 ZINC001235200967 819035903 /nfs/dbraw/zinc/03/59/03/819035903.db2.gz JYCKSWKMRDNCHD-LBPRGKRZSA-N 1 1 264.319 3.399 20 30 CGEDMO Cc1cc(F)c(C[N@H+]2CCC[C@H](C#N)CC2)c(F)c1 ZINC001235200967 819035907 /nfs/dbraw/zinc/03/59/07/819035907.db2.gz JYCKSWKMRDNCHD-LBPRGKRZSA-N 1 1 264.319 3.399 20 30 CGEDMO CCCCCCCCCCN1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001235264345 819058214 /nfs/dbraw/zinc/05/82/14/819058214.db2.gz WYXKOFYOAVXSLN-JKSUJKDBSA-N 1 1 252.446 3.421 20 30 CGEDMO CCCCCCCCCCC[N@H+]1C[C@@H]2COC[C@H](C1)N2 ZINC001235297943 819063127 /nfs/dbraw/zinc/06/31/27/819063127.db2.gz GGARSGMZDDVGET-CALCHBBNSA-N 1 1 282.472 3.190 20 30 CGEDMO C=CCCC(=O)NCCC[N@H+](C)C/C=C/c1ccccc1 ZINC001235479362 819108052 /nfs/dbraw/zinc/10/80/52/819108052.db2.gz AUTOBMQCSQMPSE-XYOKQWHBSA-N 1 1 286.419 3.104 20 30 CGEDMO CC(C)[N@@H+](CCCCCO)Cc1ccccc1CC#N ZINC001235525765 819114100 /nfs/dbraw/zinc/11/41/00/819114100.db2.gz RELSCBLGAHQPAP-UHFFFAOYSA-N 1 1 274.408 3.126 20 30 CGEDMO N#CCc1ccccc1C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC001235522695 819114600 /nfs/dbraw/zinc/11/46/00/819114600.db2.gz INOQQJKPLNDMEF-IBGZPJMESA-N 1 1 292.382 3.406 20 30 CGEDMO CC(C)[C@H]1CCC[N@H+]1Cc1c(F)cc(C#N)cc1F ZINC001235660706 819132237 /nfs/dbraw/zinc/13/22/37/819132237.db2.gz HUUJQHICXNTVPZ-OAHLLOKOSA-N 1 1 264.319 3.457 20 30 CGEDMO C#CC[N@H+](Cc1ccc(N)cc1)[C@@H]1CCc2ccccc21 ZINC001235834970 819180783 /nfs/dbraw/zinc/18/07/83/819180783.db2.gz RQINOTHJOWMAAX-LJQANCHMSA-N 1 1 276.383 3.392 20 30 CGEDMO C=CCCCCCCCC[N@H+]1C[C@H]2CC[C@@]2(N)C1 ZINC001235981088 819256101 /nfs/dbraw/zinc/25/61/01/819256101.db2.gz UKIBBLQVMZNSAA-HZPDHXFCSA-N 1 1 250.430 3.326 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1C[C@H]2CC[C@@]2(N)C1 ZINC001235981088 819256107 /nfs/dbraw/zinc/25/61/07/819256107.db2.gz UKIBBLQVMZNSAA-HZPDHXFCSA-N 1 1 250.430 3.326 20 30 CGEDMO C=CCCCCCCCCN1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235981088 819256112 /nfs/dbraw/zinc/25/61/12/819256112.db2.gz UKIBBLQVMZNSAA-HZPDHXFCSA-N 1 1 250.430 3.326 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCc2ccc(N)cc2C1 ZINC001236233400 819394977 /nfs/dbraw/zinc/39/49/77/819394977.db2.gz RYWKBCBWLCILDS-UHFFFAOYSA-N 1 1 294.398 3.392 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(O)ccc(F)c1Cl ZINC001237126481 819674177 /nfs/dbraw/zinc/67/41/77/819674177.db2.gz LQWUXTAIMRIPFI-RTCCRHLQSA-N 1 1 294.757 3.451 20 30 CGEDMO Cc1c(F)c(F)ccc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001237163756 819685990 /nfs/dbraw/zinc/68/59/90/819685990.db2.gz UTTBSDXMZJTDFS-GFCCVEGCSA-N 1 1 264.319 3.399 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1OCCO)C1CCCCC1 ZINC001237207213 819699493 /nfs/dbraw/zinc/69/94/93/819699493.db2.gz YTZGYCMCMPTWNX-UHFFFAOYSA-N 1 1 289.419 3.378 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2ccc(F)c3cccnc23)CC1 ZINC001237425340 819749410 /nfs/dbraw/zinc/74/94/10/819749410.db2.gz GRKMDEMCLKGMKO-CYBMUJFWSA-N 1 1 283.350 3.500 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2c(Cl)[nH]c3cnccc32)CC1 ZINC001237460372 819756231 /nfs/dbraw/zinc/75/62/31/819756231.db2.gz GOABHWWOJBKOCZ-LLVKDONJSA-N 1 1 288.782 3.342 20 30 CGEDMO N#Cc1ccc2nc(C[N@H+]3CCC[C@@H]4CCCC[C@@H]43)cn2c1 ZINC001237615542 819786917 /nfs/dbraw/zinc/78/69/17/819786917.db2.gz XAFFWKXLFFSIHY-RDJZCZTQSA-N 1 1 294.402 3.361 20 30 CGEDMO C=CC[N@H+](Cc1cccc(C(N)=O)c1)C1CCCCC1 ZINC001237698069 819809579 /nfs/dbraw/zinc/80/95/79/819809579.db2.gz RUVZKTXNPPGPAL-UHFFFAOYSA-N 1 1 272.392 3.106 20 30 CGEDMO C[C@]1(CF)CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001237746839 819835394 /nfs/dbraw/zinc/83/53/94/819835394.db2.gz RCNVFRKLTPUQOJ-CQSZACIVSA-N 1 1 266.747 3.393 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)c1 ZINC001237753097 819838554 /nfs/dbraw/zinc/83/85/54/819838554.db2.gz KVCZETHNCMWRPG-HIFRSBDPSA-N 1 1 288.778 3.013 20 30 CGEDMO N#Cc1cc(C[N@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)ccc1Cl ZINC001238195456 819952306 /nfs/dbraw/zinc/95/23/06/819952306.db2.gz HHYZTGSHOODDJC-JSGCOSHPSA-N 1 1 288.778 3.013 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)ccc1Cl ZINC001238197100 819954644 /nfs/dbraw/zinc/95/46/44/819954644.db2.gz SAMFOIDFGTUQIC-CJNGLKHVSA-N 1 1 290.794 3.213 20 30 CGEDMO COc1cc(C[N@@H+]2Cc3cccc(C)c3C2)ccc1C#N ZINC001238411084 819987980 /nfs/dbraw/zinc/98/79/80/819987980.db2.gz YNSOCKIEQLSJGY-UHFFFAOYSA-N 1 1 278.355 3.391 20 30 CGEDMO COc1cc(C[N@H+]2Cc3cccc(C)c3C2)ccc1C#N ZINC001238411084 819987985 /nfs/dbraw/zinc/98/79/85/819987985.db2.gz YNSOCKIEQLSJGY-UHFFFAOYSA-N 1 1 278.355 3.391 20 30 CGEDMO CCc1cc(C[N@@H+](C)Cc2ccncc2)ccc1C#N ZINC001238767115 820112933 /nfs/dbraw/zinc/11/29/33/820112933.db2.gz SDYVMCDWAVYQKH-UHFFFAOYSA-N 1 1 265.360 3.148 20 30 CGEDMO CCc1cc(C[N@H+]2CC3CCC2CC3)ccc1C#N ZINC001238779750 820115978 /nfs/dbraw/zinc/11/59/78/820115978.db2.gz YOBCDBMRDLPTKZ-UHFFFAOYSA-N 1 1 254.377 3.495 20 30 CGEDMO C#CC1CC[NH+](Cc2cc(Cl)c(OC)cc2F)CC1 ZINC001238798582 820124601 /nfs/dbraw/zinc/12/46/01/820124601.db2.gz PLKJJCKWWGEDPX-UHFFFAOYSA-N 1 1 281.758 3.333 20 30 CGEDMO CCCCCCCCCOC(=O)N1CC[NH2+]C[C@@H](F)C1 ZINC001239329495 820274556 /nfs/dbraw/zinc/27/45/56/820274556.db2.gz YSZZWQNKSIITPR-CQSZACIVSA-N 1 1 288.407 3.117 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1-c1cc(F)c(C#N)c(F)c1 ZINC001239920847 820698851 /nfs/dbraw/zinc/69/88/51/820698851.db2.gz OXZKMBXTUXCYCR-UHFFFAOYSA-N 1 1 273.286 3.273 20 30 CGEDMO N#CCc1cccnc1C1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001240383997 821006950 /nfs/dbraw/zinc/00/69/50/821006950.db2.gz IGGCUAGSXKSNAI-UHFFFAOYSA-N 1 1 289.382 3.437 20 30 CGEDMO N#Cc1cccc(C2=CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC001240385379 821008406 /nfs/dbraw/zinc/00/84/06/821008406.db2.gz PXQJPXUWLDRWBF-UHFFFAOYSA-N 1 1 275.355 3.243 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1-c1cccc(F)c1CC#N ZINC001241250805 821672614 /nfs/dbraw/zinc/67/26/14/821672614.db2.gz AMSTXOBGRXPKBR-UHFFFAOYSA-N 1 1 269.323 3.328 20 30 CGEDMO N#Cc1c(F)ccnc1C1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001241501834 821903906 /nfs/dbraw/zinc/90/39/06/821903906.db2.gz FTYUHXPXDNFMFZ-UHFFFAOYSA-N 1 1 293.345 3.382 20 30 CGEDMO N#Cc1cc(C2=CC[N@@H+](Cc3ccccc3)CC2)cnc1F ZINC001241504177 821905810 /nfs/dbraw/zinc/90/58/10/821905810.db2.gz AKUUQKNAPHRAID-UHFFFAOYSA-N 1 1 293.345 3.382 20 30 CGEDMO N#CCc1cccc(-c2cccc(C[NH+]3CCOCC3)c2)c1 ZINC001241817966 822160153 /nfs/dbraw/zinc/16/01/53/822160153.db2.gz ZIKMRMRRWACOPB-UHFFFAOYSA-N 1 1 292.382 3.252 20 30 CGEDMO C#Cc1cccc(-c2cccc(C[NH+]3CCOCC3)c2)c1 ZINC001241919379 822218624 /nfs/dbraw/zinc/21/86/24/822218624.db2.gz HGLKGZHLPBUUAJ-UHFFFAOYSA-N 1 1 277.367 3.167 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2ccnnc2)cc1 ZINC001242068645 822325890 /nfs/dbraw/zinc/32/58/90/822325890.db2.gz TXPCVFQOQFFOPQ-KRWDZBQOSA-N 1 1 265.360 3.467 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](C[C@H](C)c2ccc(F)cc2)C1 ZINC001338649734 936329693 /nfs/dbraw/zinc/32/96/93/936329693.db2.gz RXOMZOGNBHLGKI-BBRMVZONSA-N 1 1 263.356 3.206 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)CCC(C)C)C[C@@H]1C ZINC001328220754 935125740 /nfs/dbraw/zinc/12/57/40/935125740.db2.gz CYWWXZNORKUHFP-HOTGVXAUSA-N 1 1 280.456 3.358 20 30 CGEDMO N#Cc1cc(Cl)nc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC001339769310 936384183 /nfs/dbraw/zinc/38/41/83/936384183.db2.gz ICYOOXXAEJFWKD-QWHCGFSZSA-N 1 1 290.798 3.035 20 30 CGEDMO C=CC(C)(C)CCOC(=O)c1cnn(-c2cc[nH+]cc2)c1C ZINC001345125344 936802723 /nfs/dbraw/zinc/80/27/23/936802723.db2.gz QBBNXVDZFBEPGX-UHFFFAOYSA-N 1 1 299.374 3.335 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2cccc(C3CC3)c2)C1 ZINC001345229036 936806707 /nfs/dbraw/zinc/80/67/07/936806707.db2.gz LCWOFUOCMXLYJM-QGZVFWFLSA-N 1 1 257.377 3.341 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CCC[N@@H+](CCCCCF)C1 ZINC001479909814 936922919 /nfs/dbraw/zinc/92/29/19/936922919.db2.gz RLUVUGQFUVMFSN-DOTOQJQBSA-N 1 1 298.446 3.309 20 30 CGEDMO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)C1(C2CCC2)CCC1 ZINC001480322834 937045882 /nfs/dbraw/zinc/04/58/82/937045882.db2.gz JCLRGBFMVJYNAY-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C(CC)CC)C1 ZINC001480377081 937048156 /nfs/dbraw/zinc/04/81/56/937048156.db2.gz RREWDZUDOPYBGZ-HOCLYGCPSA-N 1 1 280.456 3.215 20 30 CGEDMO N#Cc1cccc(C2([NH2+]Cc3nc4ccccc4[nH]3)CC2)c1 ZINC001353044692 937056519 /nfs/dbraw/zinc/05/65/19/937056519.db2.gz QTGRGBBGGTYVDT-UHFFFAOYSA-N 1 1 288.354 3.213 20 30 CGEDMO C=C1CC(c2noc(-c3cnn(-c4cc[nH+]cc4)c3C)n2)C1 ZINC001353626274 937072602 /nfs/dbraw/zinc/07/26/02/937072602.db2.gz KHYILYMQICLEKO-UHFFFAOYSA-N 1 1 293.330 3.059 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC001354501476 937104140 /nfs/dbraw/zinc/10/41/40/937104140.db2.gz ZZFMMOZLTUYKGY-CQSZACIVSA-N 1 1 285.309 3.482 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](F)c1ccccc1 ZINC001480916859 926785988 /nfs/dbraw/zinc/78/59/88/926785988.db2.gz AXTJTWOUNAAGPZ-GDBMZVCRSA-N 1 1 292.398 3.100 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)c1occc1C(C)C ZINC001480995167 926855234 /nfs/dbraw/zinc/85/52/34/926855234.db2.gz IGAQMGOYRBHCKZ-UHFFFAOYSA-N 1 1 292.423 3.421 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)CC(C)(C)C)C1 ZINC001481461639 926991776 /nfs/dbraw/zinc/99/17/76/926991776.db2.gz GDVSJFPGLLBERW-HNNXBMFYSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)CC1CCN(C(=O)CCC)CC1 ZINC001481508610 927007644 /nfs/dbraw/zinc/00/76/44/927007644.db2.gz FWGOCYNHMCUKPC-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001481535207 927020196 /nfs/dbraw/zinc/02/01/96/927020196.db2.gz PRJJMEVFPVSWRD-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](CC)CCCC ZINC001481674306 927055125 /nfs/dbraw/zinc/05/51/25/927055125.db2.gz LIAFXSALJYXDCK-IKGGRYGDSA-N 1 1 292.467 3.454 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H](CCCCC)C(C)C)C1 ZINC001481695212 927064297 /nfs/dbraw/zinc/06/42/97/927064297.db2.gz YCFBWMVVJYISII-DLBZAZTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[C@H](C(=O)OC)[N@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC001307464486 927226748 /nfs/dbraw/zinc/22/67/48/927226748.db2.gz ICOYOIFNCFBODP-SJLPKXTDSA-N 1 1 287.403 3.158 20 30 CGEDMO CC(C)(C)[NH+]1CC(Oc2ccc(C#N)cc2C(F)(F)F)C1 ZINC001227163673 927254598 /nfs/dbraw/zinc/25/45/98/927254598.db2.gz FEFUAZKTNVAKQM-UHFFFAOYSA-N 1 1 298.308 3.439 20 30 CGEDMO C=CCCCC(=O)N(C)CC[N@@H+](C)Cc1ccccc1C ZINC001482623715 927328817 /nfs/dbraw/zinc/32/88/17/927328817.db2.gz WKOLQEDQLKORAW-UHFFFAOYSA-N 1 1 288.435 3.242 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)C1C[C@H](C)C[C@@H](C)C1 ZINC001482653810 927336877 /nfs/dbraw/zinc/33/68/77/927336877.db2.gz UPLVGJBBAVGLJJ-HUUCEWRRSA-N 1 1 280.456 3.025 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)CCCCC)CC[C@H]21 ZINC001482658594 927339987 /nfs/dbraw/zinc/33/99/87/927339987.db2.gz URZQRZQCGCSRNA-DLBZAZTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)CCCC)CC[C@H]21 ZINC001482658447 927340711 /nfs/dbraw/zinc/34/07/11/927340711.db2.gz TWOJMXQRLKRJKH-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@H]1CCO[C@@H]1C ZINC001473118710 937164571 /nfs/dbraw/zinc/16/45/71/937164571.db2.gz QSRIXEPGSPINRE-ZIAGYGMSSA-N 1 1 263.356 3.239 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccccc1C ZINC001483306242 927477766 /nfs/dbraw/zinc/47/77/66/927477766.db2.gz DDORTBSHEGVFBI-OAHLLOKOSA-N 1 1 274.408 3.011 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H](C)C[N@@H+](C)CCC(C)(C)C ZINC001483374116 927490395 /nfs/dbraw/zinc/49/03/95/927490395.db2.gz JTCHLCBPIQDUFK-LSDHHAIUSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H](F)c1ccccc1 ZINC001483391041 927495538 /nfs/dbraw/zinc/49/55/38/927495538.db2.gz MHXRZIDNIPQEML-GDBMZVCRSA-N 1 1 292.398 3.100 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)[C@H](C)c1cccc(C)c1 ZINC001483392390 927496156 /nfs/dbraw/zinc/49/61/56/927496156.db2.gz WWEIAGHSAHVPMW-JKSUJKDBSA-N 1 1 288.435 3.111 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)CC1(C)CCCCC1 ZINC001483664911 927561801 /nfs/dbraw/zinc/56/18/01/927561801.db2.gz DNJFPIRLEDJMGT-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)/C=C(\C)CC)CC2)C1 ZINC001483798978 927624884 /nfs/dbraw/zinc/62/48/84/927624884.db2.gz IYAVLIJDLLQMGC-LCJXNMAOSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCCC)C1 ZINC001483802302 927626169 /nfs/dbraw/zinc/62/61/69/927626169.db2.gz PEUMPPSERGRRSC-HOTGVXAUSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](CC)CCC)C2)C1 ZINC001483833328 927629993 /nfs/dbraw/zinc/62/99/93/927629993.db2.gz JPXJUAHJNBSDHL-FUHWJXTLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@@]2(CC[N@H+](CC(C)C)C2)C1 ZINC001483843739 927631726 /nfs/dbraw/zinc/63/17/26/927631726.db2.gz XIBSAEBUFSQECR-GOSISDBHSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N(C)C1C[NH+](CC/C=C\CCC)C1 ZINC001483876512 927638138 /nfs/dbraw/zinc/63/81/38/927638138.db2.gz DSJDWJVAYUWQAM-RXQFDZFGSA-N 1 1 292.467 3.478 20 30 CGEDMO CCCCCCC[NH+]1CC(N(C)C(=O)c2ccoc2C)C1 ZINC001483853462 927638202 /nfs/dbraw/zinc/63/82/02/927638202.db2.gz VFCYZRMEHVSQCI-UHFFFAOYSA-N 1 1 292.423 3.315 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@](C)(NC(=O)C[C@@H](C)CCC)C1 ZINC001484033264 927667292 /nfs/dbraw/zinc/66/72/92/927667292.db2.gz BUJKQLQDYZCMRE-RDJZCZTQSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)C2CC(C)C2)C1 ZINC001484156609 927682556 /nfs/dbraw/zinc/68/25/56/927682556.db2.gz FAAIDCZBDZWTBP-HTWSVDAQSA-N 1 1 292.467 3.217 20 30 CGEDMO C#CCCCCC(=O)NC[C@]1(C)CCC[N@H+](CC(C)C)C1 ZINC001484157680 927685335 /nfs/dbraw/zinc/68/53/35/927685335.db2.gz NEPQZHAJBMLCRI-SFHVURJKSA-N 1 1 292.467 3.054 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)C[C@H](C)CCC)C[C@H]2C1 ZINC001484404665 927702963 /nfs/dbraw/zinc/70/29/63/927702963.db2.gz MLSCGPNACVGTBP-ZACQAIPSSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)/C(C)=C\CC)CC1 ZINC001484708885 927741435 /nfs/dbraw/zinc/74/14/35/927741435.db2.gz YBUUDAHVYRZBOO-TYWAAFNRSA-N 1 1 278.440 3.280 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H]1CCC[N@@H+](C/C=C\Cl)CC1 ZINC001484720875 927743861 /nfs/dbraw/zinc/74/38/61/927743861.db2.gz WJGIFCDQKSLOJV-IIQYJXCPSA-N 1 1 298.858 3.312 20 30 CGEDMO Cc1cc([C@H](C)[NH2+]Cc2cc(C#N)ccn2)c(C)o1 ZINC001473355796 937190071 /nfs/dbraw/zinc/19/00/71/937190071.db2.gz MYMCBSNFJUPXFN-NSHDSACASA-N 1 1 255.321 3.014 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001484772635 927754631 /nfs/dbraw/zinc/75/46/31/927754631.db2.gz YJOKSUXOLIKYEP-IAGOWNOFSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)C1(C)CC=CC1 ZINC001484756661 927755521 /nfs/dbraw/zinc/75/55/21/927755521.db2.gz BWNDBXDVKCHFJM-UHFFFAOYSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)/C(C)=C\CC)C2 ZINC001484826269 927760769 /nfs/dbraw/zinc/76/07/69/927760769.db2.gz SWYUSEJPHGIWOL-CTJNPYBDSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C2(CC)CCCC2)C(C)(C)C1 ZINC001484940474 927774548 /nfs/dbraw/zinc/77/45/48/927774548.db2.gz NNUOJYAYONOUQL-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CCC2(C)CC2)C[C@H]1C ZINC001484982080 927780197 /nfs/dbraw/zinc/78/01/97/927780197.db2.gz QENSODIRSNJPJG-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)c1ccoc1C ZINC001485049151 927794701 /nfs/dbraw/zinc/79/47/01/927794701.db2.gz ZAJTXZANROWCLB-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@H]1C[N@@H+](C)CC(=C)Cl ZINC001485058573 927798484 /nfs/dbraw/zinc/79/84/84/927798484.db2.gz QIPZOECDFMGCOH-AWEZNQCLSA-N 1 1 298.858 3.264 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@H]1C[N@H+](C)CC(=C)Cl ZINC001485058573 927798491 /nfs/dbraw/zinc/79/84/91/927798491.db2.gz QIPZOECDFMGCOH-AWEZNQCLSA-N 1 1 298.858 3.264 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)c1ccc2c(c1)CCC=C2 ZINC001485377692 927858046 /nfs/dbraw/zinc/85/80/46/927858046.db2.gz PJOPTLUONSKNFX-HNNXBMFYSA-N 1 1 298.430 3.272 20 30 CGEDMO C=CC[C@@H]1[N@H+](CC[S@@](=O)C(F)(F)F)CCCC1(C)C ZINC001473432126 937199312 /nfs/dbraw/zinc/19/93/12/937199312.db2.gz IVONEZNNLFKTKG-JEOXALJRSA-N 1 1 297.386 3.322 20 30 CGEDMO C#CC[N@@H+](CC)Cc1cn(-c2ccccc2Cl)nc1C ZINC001474383231 937205569 /nfs/dbraw/zinc/20/55/69/937205569.db2.gz XYSQFSDXJMKOQC-UHFFFAOYSA-N 1 1 287.794 3.289 20 30 CGEDMO C#CC[N@H+](CC)Cc1cn(-c2ccccc2Cl)nc1C ZINC001474383231 937205571 /nfs/dbraw/zinc/20/55/71/937205571.db2.gz XYSQFSDXJMKOQC-UHFFFAOYSA-N 1 1 287.794 3.289 20 30 CGEDMO C=CCCCC(=O)N1C[C@]2(C)C[N@H+](CC(C)C)C[C@]2(C)C1 ZINC001485668665 927899908 /nfs/dbraw/zinc/89/99/08/927899908.db2.gz AVBVQTUVHZUPBL-HDICACEKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC(=O)N1CCC([N@@H+](C)CC2CC(C)(C)C2)CC1 ZINC001485754392 927912822 /nfs/dbraw/zinc/91/28/22/927912822.db2.gz CSLWQUMENQUGBK-UHFFFAOYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@H](C)CCCC)CCC[C@@H]12 ZINC001486152096 927990943 /nfs/dbraw/zinc/99/09/43/927990943.db2.gz NUVYZQBWKWKYFF-BFYDXBDKSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CCC2CCC2)[C@@H]1C ZINC001486168899 927993752 /nfs/dbraw/zinc/99/37/52/927993752.db2.gz ATMGWJINAYHSCF-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C(=O)[C@H](C)C1CC1)C(C)C ZINC001486364465 928008569 /nfs/dbraw/zinc/00/85/69/928008569.db2.gz SRXYDQQOJLTLAM-OAHLLOKOSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)[C@H](C)c1ccsc1 ZINC001493021712 928089180 /nfs/dbraw/zinc/08/91/80/928089180.db2.gz LEFYIMQREXBCAM-CQSZACIVSA-N 1 1 294.464 3.256 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC001171209100 928201995 /nfs/dbraw/zinc/20/19/95/928201995.db2.gz HZBUGPAZQACFQU-XJKCOSOUSA-N 1 1 260.356 3.169 20 30 CGEDMO CC(C)N1CC[C@@H]([NH2+]C2CCC(CC#N)CC2)[C@H](C)C1 ZINC001173332622 928227902 /nfs/dbraw/zinc/22/79/02/928227902.db2.gz PPXIASBUKDBQNB-RDHHWEPZSA-N 1 1 277.456 3.167 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC)CCC ZINC001488677423 928292768 /nfs/dbraw/zinc/29/27/68/928292768.db2.gz QBOZBUWEBAIBHH-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO CC[C@@H]1[C@@H](NC(=O)C#CC(C)C)CC[N@H+]1CCC(C)(C)C ZINC001489113870 928312356 /nfs/dbraw/zinc/31/23/56/928312356.db2.gz CQBQBZVAJGAXHQ-JKSUJKDBSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](CCC(C)C)[C@@H]1CC ZINC001489125608 928313140 /nfs/dbraw/zinc/31/31/40/928313140.db2.gz SNWGNAZHHIEIOH-LSDHHAIUSA-N 1 1 280.456 3.214 20 30 CGEDMO C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](CCC)C(C)C)C1 ZINC001480737135 937236104 /nfs/dbraw/zinc/23/61/04/937236104.db2.gz WBVQYTDJXITMCX-IAGOWNOFSA-N 1 1 292.467 3.005 20 30 CGEDMO C#CC[N@@H+](CC)CCCNC(=O)C[C@H]1CCCCC1(C)C ZINC001490361049 928355181 /nfs/dbraw/zinc/35/51/81/928355181.db2.gz ZWTMEVPKNKHBQW-MRXNPFEDSA-N 1 1 292.467 3.054 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001490445605 928357585 /nfs/dbraw/zinc/35/75/85/928357585.db2.gz TWNWFAHZEULVOC-BZUAXINKSA-N 1 1 280.456 3.193 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC23CC3)C1 ZINC001490440530 928358465 /nfs/dbraw/zinc/35/84/65/928358465.db2.gz WOJIYRKQKSKIHD-CVEARBPZSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC23CC3)C1 ZINC001490440531 928359938 /nfs/dbraw/zinc/35/99/38/928359938.db2.gz WOJIYRKQKSKIHD-HZPDHXFCSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2C)C1 ZINC001490425854 928361920 /nfs/dbraw/zinc/36/19/20/928361920.db2.gz SQAFDUDBHVVARL-INIZCTEOSA-N 1 1 286.419 3.155 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C)c2)C1 ZINC001490426274 928362975 /nfs/dbraw/zinc/36/29/75/928362975.db2.gz UOUKGJBEJFOZLJ-KRWDZBQOSA-N 1 1 286.419 3.155 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)SC)C1 ZINC001490428388 928364991 /nfs/dbraw/zinc/36/49/91/928364991.db2.gz VUORPFAFPKDTTQ-CABCVRRESA-N 1 1 298.496 3.065 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001490539196 928366128 /nfs/dbraw/zinc/36/61/28/928366128.db2.gz PNLTVCWJHUVIPJ-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](F)CC2CCCCC2)C1 ZINC001490570640 928374554 /nfs/dbraw/zinc/37/45/54/928374554.db2.gz QMIILHQMUINPMF-CVEARBPZSA-N 1 1 296.430 3.062 20 30 CGEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@](C)(CC)CCCCC)C1 ZINC001490579978 928374622 /nfs/dbraw/zinc/37/46/22/928374622.db2.gz MRIMVRFXMMEITK-AEFFLSMTSA-N 1 1 292.467 3.197 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@](C)(CC)CCCCC)C1 ZINC001490579978 928374634 /nfs/dbraw/zinc/37/46/34/928374634.db2.gz MRIMVRFXMMEITK-AEFFLSMTSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)CC2=CCCCC2)C1 ZINC001490751200 928382799 /nfs/dbraw/zinc/38/27/99/928382799.db2.gz DHYHFOBXEROQMR-QGZVFWFLSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCN(C(=O)/C(C)=C\C)C1 ZINC001490756653 928387837 /nfs/dbraw/zinc/38/78/37/928387837.db2.gz VKKVFKBXPDYAKV-XJBCQWDLSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H](C[N@H+](C)CC(C)C)C1 ZINC001490758087 928388934 /nfs/dbraw/zinc/38/89/34/928388934.db2.gz DNGKORWKZWUHEV-INIZCTEOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001460602341 928747081 /nfs/dbraw/zinc/74/70/81/928747081.db2.gz CVCHJHRRDOTIOP-CQSZACIVSA-N 1 1 282.428 3.332 20 30 CGEDMO C=CC[N@H+]1CCCN(C(=O)c2ccc3ccccc3c2)CC1 ZINC000072252703 928798138 /nfs/dbraw/zinc/79/81/38/928798138.db2.gz YWUVZFDOKNMZPY-UHFFFAOYSA-N 1 1 294.398 3.174 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]2C[N@@H+](CC(C)C)CC[C@@H]21 ZINC001490984099 928821842 /nfs/dbraw/zinc/82/18/42/928821842.db2.gz QFMYINJONIVOLA-IRXDYDNUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](CC)CCCC ZINC001491200644 928840835 /nfs/dbraw/zinc/84/08/35/928840835.db2.gz OZPOBRWEBGOYAR-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H]1CCCC[N@@H+]1C[C@H](F)CC ZINC001491209319 928844617 /nfs/dbraw/zinc/84/46/17/928844617.db2.gz BNEJDIDNSLCFAS-HUUCEWRRSA-N 1 1 284.419 3.062 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C)CCCC ZINC001491206012 928844974 /nfs/dbraw/zinc/84/49/74/928844974.db2.gz HWZBVUOEMOYPFV-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCC2(C)CC2)C1 ZINC001491295403 928854621 /nfs/dbraw/zinc/85/46/21/928854621.db2.gz JNHKXVKHZHBBIA-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCC[N@@H+](C)C[C@@H](C)Nc1cc(F)ccc1C#N ZINC001458402924 937460945 /nfs/dbraw/zinc/46/09/45/937460945.db2.gz CQWAFOWBCOZWLD-GFCCVEGCSA-N 1 1 263.360 3.230 20 30 CGEDMO C=CC[N@H+](CCN1CCCc2ccccc21)C(C)C ZINC001459365087 937486617 /nfs/dbraw/zinc/48/66/17/937486617.db2.gz XKGXDHOBKSEGLW-UHFFFAOYSA-N 1 1 258.409 3.336 20 30 CGEDMO COCC#CC[N@H+](Cc1cccc(C)c1)CC(C)C ZINC001459424387 937488422 /nfs/dbraw/zinc/48/84/22/937488422.db2.gz XHKYAQKMGVXKFJ-UHFFFAOYSA-N 1 1 259.393 3.103 20 30 CGEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2cc(C#N)ccn2)C1 ZINC001459554120 937491854 /nfs/dbraw/zinc/49/18/54/937491854.db2.gz AFZVVOZHPZOZPY-LSDHHAIUSA-N 1 1 275.421 3.059 20 30 CGEDMO C#CCCCCCC[N@H+](C)CCC(=O)OC(C)(C)C ZINC001459766902 937498998 /nfs/dbraw/zinc/49/89/98/937498998.db2.gz BQJJIZOBLROLAW-UHFFFAOYSA-N 1 1 267.413 3.234 20 30 CGEDMO C#CCOCC[N@H+](C)CC1CCC(C(C)(C)C)CC1 ZINC001459893066 937505212 /nfs/dbraw/zinc/50/52/12/937505212.db2.gz JUSBAPHPECTJCM-UHFFFAOYSA-N 1 1 265.441 3.421 20 30 CGEDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001459958820 937507993 /nfs/dbraw/zinc/50/79/93/937507993.db2.gz CBKSTPSWAGFOEK-WQGACYEGSA-N 1 1 292.810 3.193 20 30 CGEDMO CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)[C@@H]1C ZINC001459984215 937510299 /nfs/dbraw/zinc/51/02/99/937510299.db2.gz MPOXMYFKMYVGLE-VNHYZAJKSA-N 1 1 285.391 3.006 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC001460202891 937520344 /nfs/dbraw/zinc/52/03/44/937520344.db2.gz LZXWGBFKMSAIBI-SWLSCSKDSA-N 1 1 253.386 3.005 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@H](CC)C(=O)OC(C)(C)C)C1 ZINC001460364896 937528290 /nfs/dbraw/zinc/52/82/90/937528290.db2.gz VDSPOSOTOQIVQT-UONOGXRCSA-N 1 1 267.413 3.395 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](CCC(=O)N2CCc3ccccc32)C1 ZINC001460362648 937528310 /nfs/dbraw/zinc/52/83/10/937528310.db2.gz NLUOZMVSGUAEBO-INIZCTEOSA-N 1 1 298.430 3.254 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](CCOc2ccc(F)c(Cl)c2)C1 ZINC001460758713 937543456 /nfs/dbraw/zinc/54/34/56/937543456.db2.gz MFRNBBQWGZNNMT-GFCCVEGCSA-N 1 1 281.758 3.203 20 30 CGEDMO CO[C@H]1CCC[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)CC1 ZINC001140115170 931956173 /nfs/dbraw/zinc/95/61/73/931956173.db2.gz PCQQFCQPSIMIKA-HNNXBMFYSA-N 1 1 283.375 3.040 20 30 CGEDMO CC(=O)[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2Cl)C1 ZINC001140602182 931958577 /nfs/dbraw/zinc/95/85/77/931958577.db2.gz GBRDROALSDWBKZ-ZDUSSCGKSA-N 1 1 276.767 3.013 20 30 CGEDMO CC(=O)[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Cl)C1 ZINC001140602182 931958581 /nfs/dbraw/zinc/95/85/81/931958581.db2.gz GBRDROALSDWBKZ-ZDUSSCGKSA-N 1 1 276.767 3.013 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)ccc1Cl)C[C@H]1CCCCO1 ZINC001140601224 931959418 /nfs/dbraw/zinc/95/94/18/931959418.db2.gz JINZGYDSFJDWKX-CQSZACIVSA-N 1 1 278.783 3.213 20 30 CGEDMO C[N@H+](Cc1cc(C#N)ccc1Cl)C[C@H]1CCCCO1 ZINC001140601224 931959420 /nfs/dbraw/zinc/95/94/20/931959420.db2.gz JINZGYDSFJDWKX-CQSZACIVSA-N 1 1 278.783 3.213 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCO[C@@H](c2ccc(OC)c(OC)c2)C1 ZINC001460956985 937556519 /nfs/dbraw/zinc/55/65/19/937556519.db2.gz CBOMCOFHIVNSKF-SUMWQHHRSA-N 1 1 291.391 3.042 20 30 CGEDMO C=CC[C@H](C)[N@@H+]1CCO[C@@H](c2ccc(OC)c(OC)c2)C1 ZINC001460956985 937556521 /nfs/dbraw/zinc/55/65/21/937556521.db2.gz CBOMCOFHIVNSKF-SUMWQHHRSA-N 1 1 291.391 3.042 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CC=CC23CCCCC3)c1 ZINC001460977537 937557241 /nfs/dbraw/zinc/55/72/41/937557241.db2.gz JEINRNILGNQRCP-UHFFFAOYSA-N 1 1 253.349 3.028 20 30 CGEDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)CCO1 ZINC001460982605 937557793 /nfs/dbraw/zinc/55/77/93/937557793.db2.gz YGDJTXPGYOGIFJ-CQSZACIVSA-N 1 1 278.421 3.257 20 30 CGEDMO CC[N@@H+](CCCC#N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001460984753 937557937 /nfs/dbraw/zinc/55/79/37/937557937.db2.gz DDGKRVQKZFVIIB-AWEZNQCLSA-N 1 1 295.427 3.012 20 30 CGEDMO N#CC[C@@H](Oc1ccc(C(=[NH2+])NO)c(F)c1)c1ccccc1 ZINC001229083294 932090423 /nfs/dbraw/zinc/09/04/23/932090423.db2.gz PNVUKCVCXFMMMQ-OAHLLOKOSA-N 1 1 299.305 3.164 20 30 CGEDMO C=CC[C@@H](CCC)Oc1ccc(C(=[NH2+])NO)c(F)c1 ZINC001229083199 932090963 /nfs/dbraw/zinc/09/09/63/932090963.db2.gz OUJURAWMOSMJKV-JTQLQIEISA-N 1 1 266.316 3.253 20 30 CGEDMO C=CC(C)(C)CCNC(=O)N[C@H](C)C[N@H+](CC)CCC ZINC001229351134 932136974 /nfs/dbraw/zinc/13/69/74/932136974.db2.gz OOJHSHNABYRDSV-CQSZACIVSA-N 1 1 283.460 3.008 20 30 CGEDMO C[C@@H](C#N)C[N@H+](Cc1cc2ccc(F)cc2[nH]c1=O)C1CC1 ZINC001461928187 937606979 /nfs/dbraw/zinc/60/69/79/937606979.db2.gz QGRPGBHDXQEOOH-NSHDSACASA-N 1 1 299.349 3.204 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](Cc1cc2ccc(F)cc2[nH]c1=O)C1CC1 ZINC001461928187 937606980 /nfs/dbraw/zinc/60/69/80/937606980.db2.gz QGRPGBHDXQEOOH-NSHDSACASA-N 1 1 299.349 3.204 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2CC2)CC1 ZINC001230490596 932577420 /nfs/dbraw/zinc/57/74/20/932577420.db2.gz PVXXQPRRYGYUOV-QGZVFWFLSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)C)CC1 ZINC001230508963 932580783 /nfs/dbraw/zinc/58/07/83/932580783.db2.gz VDUGSDHAXLYPMQ-QGZVFWFLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC(=O)N1CCC([C@H]2CCC[N@@H+]2CCC=C)CC1 ZINC001230537079 932586002 /nfs/dbraw/zinc/58/60/02/932586002.db2.gz AYOZQKUJHOJZGW-QGZVFWFLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1CCC([C@H]2CCC[N@@H+]2CC)CC1 ZINC001230587448 932594033 /nfs/dbraw/zinc/59/40/33/932594033.db2.gz SEDHDEBAXQYYML-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC(C)C ZINC001230730393 932615922 /nfs/dbraw/zinc/61/59/22/932615922.db2.gz CVFOOCXZRAEKFT-HZPDHXFCSA-N 1 1 280.456 3.310 20 30 CGEDMO CCCCCCC[C@@H](C)Oc1[nH+][nH]cc2nncc1-2 ZINC001230895769 932637343 /nfs/dbraw/zinc/63/73/43/932637343.db2.gz KPFLGWOTETUOPI-LLVKDONJSA-N 1 1 262.357 3.481 20 30 CGEDMO C=CC[C@H](Oc1cc2c(cc1O)C=[NH+]CC2)C(C)C ZINC001230921367 932642320 /nfs/dbraw/zinc/64/23/20/932642320.db2.gz LUQWPRJWHFCYFO-HNNXBMFYSA-N 1 1 259.349 3.347 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1cccc(F)c1OC(F)(F)F ZINC001462157744 937621470 /nfs/dbraw/zinc/62/14/70/937621470.db2.gz NBOXJZZRJLNUTE-VIFPVBQESA-N 1 1 275.245 3.178 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1cccc(F)c1OC(F)(F)F ZINC001462157744 937621472 /nfs/dbraw/zinc/62/14/72/937621472.db2.gz NBOXJZZRJLNUTE-VIFPVBQESA-N 1 1 275.245 3.178 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CCC[N@@H+](CC(=C)C)[C@@H]1C ZINC001332208709 932734640 /nfs/dbraw/zinc/73/46/40/932734640.db2.gz WWSSEPBJOMOSAV-CABCVRRESA-N 1 1 278.440 3.134 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1cccc(F)c1OC(F)(F)F ZINC001462157743 937621544 /nfs/dbraw/zinc/62/15/44/937621544.db2.gz NBOXJZZRJLNUTE-SECBINFHSA-N 1 1 275.245 3.178 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cccc(F)c1OC(F)(F)F ZINC001462157743 937621546 /nfs/dbraw/zinc/62/15/46/937621546.db2.gz NBOXJZZRJLNUTE-SECBINFHSA-N 1 1 275.245 3.178 20 30 CGEDMO C=C[C@H](CC)CC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC001332867023 932755060 /nfs/dbraw/zinc/75/50/60/932755060.db2.gz PLFRQCAMIWORNL-JKSUJKDBSA-N 1 1 280.456 3.217 20 30 CGEDMO N#Cc1ccc(NC[C@H]2CC[N@H+]2C2CCCCCC2)nc1 ZINC001307191912 932777208 /nfs/dbraw/zinc/77/72/08/932777208.db2.gz XRMHPBVYPLJCAB-MRXNPFEDSA-N 1 1 284.407 3.162 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)C2CCCC2)C1 ZINC001491903909 932796225 /nfs/dbraw/zinc/79/62/25/932796225.db2.gz IKPROKMAXNBGQF-RDJZCZTQSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@H]([N@@H+](C)C/C=C/Cl)C2)C1 ZINC001491946819 932798758 /nfs/dbraw/zinc/79/87/58/932798758.db2.gz KDSWZKOEZFMPOS-DYLGSBMWSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(C)CCC(=O)NCC[N@H+](C)CCC1CCCCC1 ZINC001492267297 932813648 /nfs/dbraw/zinc/81/36/48/932813648.db2.gz SUNBZKPDBBMKNB-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc(OC)c(O)cc2Cl)C1 ZINC001462367235 937635631 /nfs/dbraw/zinc/63/56/31/937635631.db2.gz LDNPINFHIRUCPA-GFCCVEGCSA-N 1 1 293.794 3.290 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C2(CCF)CC2)[C@H]1CC ZINC001316736204 932864126 /nfs/dbraw/zinc/86/41/26/932864126.db2.gz LQNIEZQYDOCKMG-LSDHHAIUSA-N 1 1 296.430 3.062 20 30 CGEDMO CC(C)C[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccn2)C1 ZINC001307584466 932972805 /nfs/dbraw/zinc/97/28/05/932972805.db2.gz SJZYFZNASTXPGH-HNNXBMFYSA-N 1 1 257.381 3.211 20 30 CGEDMO C#CC[N@H+](CC[C@@H](C)c1ccccc1)C1CSC1 ZINC001462521462 937647238 /nfs/dbraw/zinc/64/72/38/937647238.db2.gz WZTXKEXBCMUNPH-CQSZACIVSA-N 1 1 259.418 3.231 20 30 CGEDMO C=CC[C@H](C)[N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C ZINC001307930087 933022621 /nfs/dbraw/zinc/02/26/21/933022621.db2.gz RYNWTAAUICVJSX-LBPRGKRZSA-N 1 1 270.417 3.186 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001307875181 933013162 /nfs/dbraw/zinc/01/31/62/933013162.db2.gz QOIMZZIOMKUXKC-UONOGXRCSA-N 1 1 267.413 3.252 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](CC(=O)N(C(C)C)C2CCCC2)C1 ZINC001307913965 933018276 /nfs/dbraw/zinc/01/82/76/933018276.db2.gz ARSJGEXUIWMEBZ-INIZCTEOSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@H+](Cc1cccc2c1OC(F)(F)O2)[C@H](C)COC ZINC001307924194 933021658 /nfs/dbraw/zinc/02/16/58/933021658.db2.gz OOLARSDIWUPBCZ-LLVKDONJSA-N 1 1 299.317 3.031 20 30 CGEDMO C=CC[N@@H+](Cc1cccc2c1OC(F)(F)O2)[C@H](C)COC ZINC001307924194 933021662 /nfs/dbraw/zinc/02/16/62/933021662.db2.gz OOLARSDIWUPBCZ-LLVKDONJSA-N 1 1 299.317 3.031 20 30 CGEDMO C#CCC[N@@H+](CCOC)Cc1cc(Cl)ccc1Cl ZINC001307955641 933024323 /nfs/dbraw/zinc/02/43/23/933024323.db2.gz DSTRMISERWFOSU-UHFFFAOYSA-N 1 1 286.202 3.465 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1cc(Cl)ccc1Cl ZINC001307955641 933024326 /nfs/dbraw/zinc/02/43/26/933024326.db2.gz DSTRMISERWFOSU-UHFFFAOYSA-N 1 1 286.202 3.465 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CCCN(C)C(=O)OC(C)(C)C)C1 ZINC001307961305 933027050 /nfs/dbraw/zinc/02/70/50/933027050.db2.gz IOMUEZLITPCTNN-CQSZACIVSA-N 1 1 282.428 3.141 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1nc2ccccc2[nH]1 ZINC001308017510 933035905 /nfs/dbraw/zinc/03/59/05/933035905.db2.gz VBZOUOUQCXTVKO-UHFFFAOYSA-N 1 1 290.370 3.109 20 30 CGEDMO C#C[C@H]1CCCC[N@H+]1Cc1ccc(-c2ncco2)cc1F ZINC001308140096 933056820 /nfs/dbraw/zinc/05/68/20/933056820.db2.gz DERLMTVHGITTGW-HNNXBMFYSA-N 1 1 284.334 3.468 20 30 CGEDMO C#C[C@H]1CCCC[N@@H+]1Cc1ccc(-c2ncco2)cc1F ZINC001308140096 933056826 /nfs/dbraw/zinc/05/68/26/933056826.db2.gz DERLMTVHGITTGW-HNNXBMFYSA-N 1 1 284.334 3.468 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1F)CC1(OC)CCC1 ZINC001308616034 933143785 /nfs/dbraw/zinc/14/37/85/933143785.db2.gz OWAYOCGWKYVSPK-UHFFFAOYSA-N 1 1 263.356 3.383 20 30 CGEDMO CC[N@H+](CCSc1ccc(OC)cc1)C[C@H](C)C#N ZINC001308626846 933145249 /nfs/dbraw/zinc/14/52/49/933145249.db2.gz VLLFGJPYKXGOQT-CYBMUJFWSA-N 1 1 278.421 3.269 20 30 CGEDMO CC[N@@H+](CCSc1ccc(OC)cc1)C[C@H](C)C#N ZINC001308626846 933145253 /nfs/dbraw/zinc/14/52/53/933145253.db2.gz VLLFGJPYKXGOQT-CYBMUJFWSA-N 1 1 278.421 3.269 20 30 CGEDMO CC[N@H+](CCC#N)CC(C)(C)c1ccc(OC)c(OC)c1 ZINC001308663730 933152775 /nfs/dbraw/zinc/15/27/75/933152775.db2.gz SYKYRRUYYQQLMK-UHFFFAOYSA-N 1 1 290.407 3.217 20 30 CGEDMO CC[N@@H+](CCC#N)CC(C)(C)c1ccc(OC)c(OC)c1 ZINC001308663730 933152777 /nfs/dbraw/zinc/15/27/77/933152777.db2.gz SYKYRRUYYQQLMK-UHFFFAOYSA-N 1 1 290.407 3.217 20 30 CGEDMO CC(C)[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2N(C)C)C1 ZINC001308694401 933160683 /nfs/dbraw/zinc/16/06/83/933160683.db2.gz IQNFXOWPZKVJSQ-INIZCTEOSA-N 1 1 285.435 3.492 20 30 CGEDMO C=CCC[C@H]([NH2+][C@H]1CCC[C@@H](CC)C1)C(=O)OCC ZINC001308770443 933173866 /nfs/dbraw/zinc/17/38/66/933173866.db2.gz VZMNBYVDYKJXHU-ILXRZTDVSA-N 1 1 267.413 3.443 20 30 CGEDMO C=C(C)C[C@H]([NH2+]C[C@H]1CCC[C@@H](CC)C1)C(=O)OC ZINC001308901807 933199676 /nfs/dbraw/zinc/19/96/76/933199676.db2.gz NKACTRDMSNIPOZ-ILXRZTDVSA-N 1 1 267.413 3.300 20 30 CGEDMO C=CCCC(C)(C)NC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC001311689463 933309634 /nfs/dbraw/zinc/30/96/34/933309634.db2.gz OQMCZBLXUPZNIT-CABCVRRESA-N 1 1 295.471 3.151 20 30 CGEDMO C=CCCCN(CC)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC001311691726 933309772 /nfs/dbraw/zinc/30/97/72/933309772.db2.gz ZTKUBVBPKZFFQD-CVEARBPZSA-N 1 1 295.471 3.105 20 30 CGEDMO CCCCCCCCNC(=O)NCC[N@H+]1CCC[C@@H]1C ZINC001312312124 933352413 /nfs/dbraw/zinc/35/24/13/933352413.db2.gz ZAGIDGZXPLEJTI-HNNXBMFYSA-N 1 1 283.460 3.130 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCCC)C[C@@H]2C1 ZINC001316750350 933477808 /nfs/dbraw/zinc/47/78/08/933477808.db2.gz ZPELCOCLGRNHFJ-BBWFWOEESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+](CC)CCCNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001316895639 933492396 /nfs/dbraw/zinc/49/23/96/933492396.db2.gz CRDLHVSCDAMZHF-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)[C@H]1CC[C@H](C)CC1)C1CC1 ZINC001316927728 933498082 /nfs/dbraw/zinc/49/80/82/933498082.db2.gz VRJZIVMQNQRITK-WKILWMFISA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CCC[N@@H+](CCCCCF)C1 ZINC001316945417 933500968 /nfs/dbraw/zinc/50/09/68/933500968.db2.gz REUGGKAEBBRVAE-HNNXBMFYSA-N 1 1 298.446 3.309 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@H]2C=CCC2)C1 ZINC001317035367 933518464 /nfs/dbraw/zinc/51/84/64/933518464.db2.gz LAJGMYRXUMWVPG-IRXDYDNUSA-N 1 1 290.451 3.089 20 30 CGEDMO CCC(CC)CN(CCC#N)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001464928978 937696905 /nfs/dbraw/zinc/69/69/05/937696905.db2.gz QJSFAEKGUGKHSB-MRXNPFEDSA-N 1 1 293.455 3.038 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCF ZINC001317098145 933528762 /nfs/dbraw/zinc/52/87/62/933528762.db2.gz PVOAMSYJFKATPA-WZYMTQMTSA-N 1 1 296.430 3.060 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC2CC2)C1 ZINC001317100207 933530879 /nfs/dbraw/zinc/53/08/79/933530879.db2.gz HHTOFYPRGYESQQ-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H](C)CCCCC ZINC001317175960 933546707 /nfs/dbraw/zinc/54/67/07/933546707.db2.gz INGYWFSLYNIVCD-IRXDYDNUSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCCC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CC(=C)C)C1 ZINC001317209236 933553157 /nfs/dbraw/zinc/55/31/57/933553157.db2.gz ODVGEVJDZRNJNK-HZPDHXFCSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CC2(C)CC2)C1 ZINC001317207721 933554929 /nfs/dbraw/zinc/55/49/29/933554929.db2.gz HONUKNSYGVRKOB-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)c1cc(F)ccc1Cl ZINC001317460671 933597061 /nfs/dbraw/zinc/59/70/61/933597061.db2.gz FBQLWUNEYFJTKW-UHFFFAOYSA-N 1 1 298.789 3.107 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCC[N@@H+]1CCCC(C)(C)C ZINC001317495215 933604637 /nfs/dbraw/zinc/60/46/37/933604637.db2.gz IHAKEKYQIJXCSJ-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](CNC(=O)c2ccccc2C)C1 ZINC001317517556 933610286 /nfs/dbraw/zinc/61/02/86/933610286.db2.gz MEHQCRGALXCYIM-MRXNPFEDSA-N 1 1 286.419 3.013 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)c1ccccc1C)C(C)C ZINC001317679571 933632558 /nfs/dbraw/zinc/63/25/58/933632558.db2.gz OBQOFESTUCBUCQ-UHFFFAOYSA-N 1 1 274.408 3.011 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)[C@H]1CCC(C)(C)C1)C(C)C ZINC001317699442 933634571 /nfs/dbraw/zinc/63/45/71/933634571.db2.gz IDYNLUCLXLWWGZ-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)c2ccccc2)C1 ZINC001317751074 933642146 /nfs/dbraw/zinc/64/21/46/933642146.db2.gz VLYCWQRBVGXTAS-KRWDZBQOSA-N 1 1 286.419 3.189 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)C2(F)CCCC2)C1 ZINC001317761383 933645420 /nfs/dbraw/zinc/64/54/20/933645420.db2.gz LDFAJWUEOKZHLJ-HNNXBMFYSA-N 1 1 296.430 3.158 20 30 CGEDMO CC#CCCCC(=O)N(CCC)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001317764426 933647253 /nfs/dbraw/zinc/64/72/53/933647253.db2.gz ZMYBTMIRFDRMOP-KRWDZBQOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](CCNC(=O)[C@H](C)C2CCCC2)C1 ZINC001317808701 933653975 /nfs/dbraw/zinc/65/39/75/933653975.db2.gz GWNIXPXULKEDCF-CVEARBPZSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](CCNC(=O)C[C@@H](CC)C(C)C)C1 ZINC001317809634 933654886 /nfs/dbraw/zinc/65/48/86/933654886.db2.gz QMQGHDOTVUYYOI-JKSUJKDBSA-N 1 1 280.456 3.073 20 30 CGEDMO C=Cc1ccc(C(=O)N2CC[C@H](C[N@H+](C)CC(=C)C)C2)cc1 ZINC001317855904 933658476 /nfs/dbraw/zinc/65/84/76/933658476.db2.gz ZNNUNJZGRWBJCB-QGZVFWFLSA-N 1 1 298.430 3.300 20 30 CGEDMO C=CCC[N@H+](C)CC1CCN(C(=O)[C@]2(C)C=CCC2)CC1 ZINC001317875931 933661825 /nfs/dbraw/zinc/66/18/25/933661825.db2.gz OKWOURSUDGTHAO-GOSISDBHSA-N 1 1 290.451 3.089 20 30 CGEDMO C#CCCCCC(=O)N[C@@H]1CCC[N@H+](CC/C=C\CC)C1 ZINC001317930333 933664830 /nfs/dbraw/zinc/66/48/30/933664830.db2.gz JJWOXXUXJRDJBQ-BQLWYNFJSA-N 1 1 290.451 3.117 20 30 CGEDMO C=CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C)cc1 ZINC001318215861 933697593 /nfs/dbraw/zinc/69/75/93/933697593.db2.gz JOLGNAGDTYHMEU-ROUUACIJSA-N 1 1 298.430 3.136 20 30 CGEDMO C=C[C@H](CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C(C)C)c1ccccc1 ZINC001318228938 933698373 /nfs/dbraw/zinc/69/83/73/933698373.db2.gz WQMFZCDICFKELD-NJAFHUGGSA-N 1 1 298.430 3.040 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2C)C1 ZINC001318380938 933716387 /nfs/dbraw/zinc/71/63/87/933716387.db2.gz NRDKEABDJYAZMJ-INIZCTEOSA-N 1 1 286.419 3.108 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](N(C)C(=O)CCCC[C@H](C)CC)C1 ZINC001318407659 933721746 /nfs/dbraw/zinc/72/17/46/933721746.db2.gz SCYXBDCFYZFSRT-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO C#Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](CCCCC)C2)cc1 ZINC001318421809 933722555 /nfs/dbraw/zinc/72/25/55/933722555.db2.gz FVGYPSBCOGLEPP-GOSISDBHSA-N 1 1 298.430 3.004 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)CC(C)=C(C)C)C1 ZINC001318421913 933723698 /nfs/dbraw/zinc/72/36/98/933723698.db2.gz GTJRCCLZPCSUEH-MRXNPFEDSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C=C)c2ccccc2)C1 ZINC001318446027 933728109 /nfs/dbraw/zinc/72/81/09/933728109.db2.gz SGQYIAKOEKXTFT-QZTJIDSGSA-N 1 1 298.430 3.065 20 30 CGEDMO C#CCOCC[N@H+](C)[C@@H](C)c1ccc2ccccc2c1 ZINC001319553561 933892206 /nfs/dbraw/zinc/89/22/06/933892206.db2.gz LYRCEYIELWMBAE-HNNXBMFYSA-N 1 1 267.372 3.482 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@@H]1CC[C@@H](SC)C1 ZINC001319646694 933908294 /nfs/dbraw/zinc/90/82/94/933908294.db2.gz PBIAVGIKLXFWED-HUUCEWRRSA-N 1 1 290.432 3.283 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N(C)CC[N@H+](C)C[C@@H](C)CC ZINC001320043181 933984840 /nfs/dbraw/zinc/98/48/40/933984840.db2.gz RRFAJULVLYMZFA-HOCLYGCPSA-N 1 1 268.445 3.025 20 30 CGEDMO C=C(C)CC[N@H+](C)CCC1CCN(C(=O)CCC)CC1 ZINC001319867501 933948469 /nfs/dbraw/zinc/94/84/69/933948469.db2.gz DMPAGUVCNAIVGA-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=C(C)C[N@H+](C)CCC1CCN(C(=O)/C(C)=C\CC)CC1 ZINC001319875605 933948643 /nfs/dbraw/zinc/94/86/43/933948643.db2.gz WHUMKYSZPGOWBJ-APSNUPSMSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)c1ccc(C)s1 ZINC001319966632 933967626 /nfs/dbraw/zinc/96/76/26/933967626.db2.gz MDDLBFVEXLRPGY-ZDUSSCGKSA-N 1 1 294.464 3.415 20 30 CGEDMO C=C(C)[C@H](CO)[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC001320089690 933997664 /nfs/dbraw/zinc/99/76/64/933997664.db2.gz WOUXSGGZBMJOON-MNOVXSKESA-N 1 1 268.426 3.028 20 30 CGEDMO C=CCCCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCC(=C)C)C1 ZINC001320110030 934001448 /nfs/dbraw/zinc/00/14/48/934001448.db2.gz DQPREALBZKIMFS-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[C@H](C)[NH2+]CC(F)(F)C1(O)CCCCC1 ZINC001474746666 934004763 /nfs/dbraw/zinc/00/47/63/934004763.db2.gz ALZNXEHCUKTKLV-LBPRGKRZSA-N 1 1 261.356 3.261 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001320307124 934027658 /nfs/dbraw/zinc/02/76/58/934027658.db2.gz AFEPMCXAWZRKPC-LBPRGKRZSA-N 1 1 296.754 3.025 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001320307124 934027665 /nfs/dbraw/zinc/02/76/65/934027665.db2.gz AFEPMCXAWZRKPC-LBPRGKRZSA-N 1 1 296.754 3.025 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC001320378760 934038477 /nfs/dbraw/zinc/03/84/77/934038477.db2.gz YJGNLJFKBOFCRG-MRXNPFEDSA-N 1 1 286.350 3.151 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(CF)cc1 ZINC001322305389 934275041 /nfs/dbraw/zinc/27/50/41/934275041.db2.gz DPCBBWRUPBBYCA-AWEZNQCLSA-N 1 1 292.398 3.172 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H]1CC[N@@H+]1CC1CCC(C)CC1 ZINC001323279466 934379130 /nfs/dbraw/zinc/37/91/30/934379130.db2.gz UNBAKPUUSAYEOI-UYSNPLJNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1CC[N@@H+]1CC(CC)CC ZINC001323279531 934379697 /nfs/dbraw/zinc/37/96/97/934379697.db2.gz VROGDZLQPIPRJS-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]1CNC(=O)C1(CC=C)CCCCC1 ZINC001323358481 934388782 /nfs/dbraw/zinc/38/87/82/934388782.db2.gz UJXHCJINKVPDGO-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+]([C@H](C)c2ccc(F)cc2F)C1 ZINC001323729082 934422027 /nfs/dbraw/zinc/42/20/27/934422027.db2.gz OKDOHTLNQOKGNJ-DGCLKSJQSA-N 1 1 267.319 3.303 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@]2(C1)CCC[N@H+](CCC)C2 ZINC001323813557 934427581 /nfs/dbraw/zinc/42/75/81/934427581.db2.gz RVFKMQQIKMHYBX-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)/C(C)=C/CC)C2)C1 ZINC001323798762 934427620 /nfs/dbraw/zinc/42/76/20/934427620.db2.gz CXHRBTFKNIACBL-ROBMAMTRSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCC[NH+]1CC(N(C)C(=O)[C@@H](CC=C)c2ccccc2)C1 ZINC001324030301 934451262 /nfs/dbraw/zinc/45/12/62/934451262.db2.gz HGVBYLXYPBQMFK-SFHVURJKSA-N 1 1 298.430 3.065 20 30 CGEDMO CC#CCCCC(=O)N[C@@]1(C)CC[N@H+](CC(CC)CC)C1 ZINC001324640474 934537500 /nfs/dbraw/zinc/53/75/00/934537500.db2.gz ARUUFBHWBBLQCF-SFHVURJKSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC[C@@H]1CCCN(c2[nH+]cnc3[nH]cc(CC)c32)C1 ZINC001472827494 937785898 /nfs/dbraw/zinc/78/58/98/937785898.db2.gz QZRCEEZONXAAAJ-GFCCVEGCSA-N 1 1 270.380 3.313 20 30 CGEDMO CCC[C@@]1(C)CCC[N@@H+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001473192739 937796368 /nfs/dbraw/zinc/79/63/68/937796368.db2.gz OFJLPXYRTDIGHI-MSOLQXFVSA-N 1 1 286.419 3.494 20 30 CGEDMO COc1ccc(C[C@H]2CC[N@H+]2Cc2cccc(C#N)c2)cc1 ZINC001473220112 937798080 /nfs/dbraw/zinc/79/80/80/937798080.db2.gz ZWRKTKALLAPAKV-GOSISDBHSA-N 1 1 292.382 3.384 20 30 CGEDMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001473245669 937798942 /nfs/dbraw/zinc/79/89/42/937798942.db2.gz VUFQCDRHKFVZAG-QGTPRVQTSA-N 1 1 286.419 3.492 20 30 CGEDMO C[C@@H](C#N)C[N@H+](C[C@@H](C)COCc1ccccc1)C1CC1 ZINC001473342594 937802359 /nfs/dbraw/zinc/80/23/59/937802359.db2.gz PARNIMOXRNJFBD-JKSUJKDBSA-N 1 1 286.419 3.463 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](CC)[C@H]2C)cc1 ZINC001473402383 937804951 /nfs/dbraw/zinc/80/49/51/937804951.db2.gz KDLDLABTQDGGPE-GDBMZVCRSA-N 1 1 284.403 3.117 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)CC(C)(C)C)C1 ZINC001324909905 934870300 /nfs/dbraw/zinc/87/03/00/934870300.db2.gz PGLVBSQSLACCBS-QGZVFWFLSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CC2(C)C)C1 ZINC001324928139 934874340 /nfs/dbraw/zinc/87/43/40/934874340.db2.gz QXPXXNRLRZFIKC-QAPCUYQASA-N 1 1 292.467 3.217 20 30 CGEDMO CC(C)C[C@@]1(C)CCC[N@H+]1Cc1cc(C#N)ccn1 ZINC001473491910 937809246 /nfs/dbraw/zinc/80/92/46/937809246.db2.gz BBHWLLQJNJTDRV-MRXNPFEDSA-N 1 1 257.381 3.354 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+]([C@H](C)CCc2ccccc2)C1 ZINC001325228720 934897301 /nfs/dbraw/zinc/89/73/01/934897301.db2.gz QRAVCDIEIJVORD-NVXWUHKLSA-N 1 1 259.393 3.285 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC001325583137 934918673 /nfs/dbraw/zinc/91/86/73/934918673.db2.gz WEDMXHGJIIPOST-LBPRGKRZSA-N 1 1 281.783 3.131 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC ZINC001325632525 934921268 /nfs/dbraw/zinc/92/12/68/934921268.db2.gz RARSEFBRZIIOIB-MUJYYYPQSA-N 1 1 292.467 3.358 20 30 CGEDMO CCOC(=O)C[C@@H]1CCC[N@H+]1CCC1(C#N)CCCCC1 ZINC001325995432 934942479 /nfs/dbraw/zinc/94/24/79/934942479.db2.gz RIYSYUIZNTVOSN-HNNXBMFYSA-N 1 1 292.423 3.268 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccccc1CNC(=O)C1CCC1 ZINC001326444827 934979792 /nfs/dbraw/zinc/97/97/92/934979792.db2.gz FGBYFPWMHJTPON-UHFFFAOYSA-N 1 1 286.419 3.111 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CCC[N@H+](CC2CC(C)C2)CC1 ZINC001327148151 935036674 /nfs/dbraw/zinc/03/66/74/935036674.db2.gz QIPDJTSRZWGXCM-OFLPRAFFSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)c1c[nH]c2ccccc21 ZINC001327230539 935047257 /nfs/dbraw/zinc/04/72/57/935047257.db2.gz VDRHYTHSEMPQHY-UHFFFAOYSA-N 1 1 299.418 3.138 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](CCC2CC2)[C@H](C)C1 ZINC001328256974 935127157 /nfs/dbraw/zinc/12/71/57/935127157.db2.gz LIHCJAWGGQTWKY-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC=CCC1 ZINC001328704385 935160773 /nfs/dbraw/zinc/16/07/73/935160773.db2.gz OUZCRPLNAZFYJH-GJZGRUSLSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC=CCC1 ZINC001328704385 935160775 /nfs/dbraw/zinc/16/07/75/935160775.db2.gz OUZCRPLNAZFYJH-GJZGRUSLSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)C1C(C)(C)C1(C)C ZINC001328720099 935162834 /nfs/dbraw/zinc/16/28/34/935162834.db2.gz UJMFSSVDTGXSCE-CQSZACIVSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)CCC1(C)CC1 ZINC001328780569 935169021 /nfs/dbraw/zinc/16/90/21/935169021.db2.gz NHTNUBCLMYAUIP-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)Cc1cccs1 ZINC001329373458 935209295 /nfs/dbraw/zinc/20/92/95/935209295.db2.gz SPFQWPBLHOCJFH-KBPBESRZSA-N 1 1 294.464 3.082 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001329450284 935217256 /nfs/dbraw/zinc/21/72/56/935217256.db2.gz LGGIKJGGWQWVGC-OAHLLOKOSA-N 1 1 288.435 3.225 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)CNC(=O)CC[C@@H](C)c1ccccc1 ZINC001329575479 935229448 /nfs/dbraw/zinc/22/94/48/935229448.db2.gz TYHZYNSXBBBEOZ-HZPDHXFCSA-N 1 1 288.435 3.193 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](CC)CC1CCCC1 ZINC001329573939 935229502 /nfs/dbraw/zinc/22/95/02/935229502.db2.gz NVTQTOFMZFVQII-HOCLYGCPSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)c1cccc(Cl)c1 ZINC001329599756 935231614 /nfs/dbraw/zinc/23/16/14/935231614.db2.gz GNYPLPWVVIGVJM-ZDUSSCGKSA-N 1 1 294.826 3.356 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)c1cc(C)c(F)c(C)c1 ZINC001329612443 935233885 /nfs/dbraw/zinc/23/38/85/935233885.db2.gz DDVRFOJHMHWWTK-AWEZNQCLSA-N 1 1 292.398 3.069 20 30 CGEDMO C#CC[N@H+](C/C=C/c1ccc(F)c(F)c1)CC1CC1 ZINC001329755220 935244636 /nfs/dbraw/zinc/24/46/36/935244636.db2.gz KTMVQSHFPJHQOB-ONEGZZNKSA-N 1 1 261.315 3.323 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](F)C(C)C ZINC001329938227 935256471 /nfs/dbraw/zinc/25/64/71/935256471.db2.gz PKJXWYGHOGOEOE-JKSUJKDBSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)C/C=C(/C)C=C)CCC[C@@H]12 ZINC001332098661 935439752 /nfs/dbraw/zinc/43/97/52/935439752.db2.gz FNSIQZZFRGPMKV-KIDYRIKOSA-N 1 1 288.435 3.198 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2)[C@H]1C ZINC001332162908 935445296 /nfs/dbraw/zinc/44/52/96/935445296.db2.gz YQSYFZAMVUHBFI-WBVHZDCISA-N 1 1 286.419 3.236 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1CCC[N@@H+](CCC(C)(C)C)[C@@H]1C ZINC001332180786 935446281 /nfs/dbraw/zinc/44/62/81/935446281.db2.gz YNYPSGINSBSOSS-HZPDHXFCSA-N 1 1 292.467 3.195 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CCC[N@H+](CCC(C)C)[C@H]1C ZINC001332188237 935447538 /nfs/dbraw/zinc/44/75/38/935447538.db2.gz ZJGHBLYWGGRTPD-JKSUJKDBSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C2(CC=C)CCC2)[C@@H]1C ZINC001332197989 935448111 /nfs/dbraw/zinc/44/81/11/935448111.db2.gz GXESTNKPNWBWFF-HOTGVXAUSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001332938878 935498894 /nfs/dbraw/zinc/49/88/94/935498894.db2.gz YPMGWEDUAHKZMH-GXTWGEPZSA-N 1 1 285.309 3.286 20 30 CGEDMO N#CC1CCC(C[N@@H+]2CC[C@H](C(F)(F)F)C2)CC1 ZINC001333158882 935515173 /nfs/dbraw/zinc/51/51/73/935515173.db2.gz XCMYUCUYBRNJOX-MCIGGMRASA-N 1 1 260.303 3.201 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)C(C)(C)C2CCC2)CC1 ZINC001333378814 935531643 /nfs/dbraw/zinc/53/16/43/935531643.db2.gz QRAPIFKPPQUBBD-UHFFFAOYSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC(C)(C)C(=O)NCC1=CC[N@@H+](CCC(C)C)CC1 ZINC001333405565 935533612 /nfs/dbraw/zinc/53/36/12/935533612.db2.gz IFZSUZZUIYQDHU-UHFFFAOYSA-N 1 1 292.467 3.383 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1cnc(-c2ccccc2)o1 ZINC001334884957 936120805 /nfs/dbraw/zinc/12/08/05/936120805.db2.gz VXQLZSOLTLMVDH-UHFFFAOYSA-N 1 1 254.333 3.185 20 30 CGEDMO C#CC[N@@H+](CC(=O)Nc1ccccc1C(C)C)CC1CC1 ZINC001335588571 936154414 /nfs/dbraw/zinc/15/44/14/936154414.db2.gz JKBZLPURHJYWRB-UHFFFAOYSA-N 1 1 284.403 3.094 20 30 CGEDMO C#CC[N@H+](CC(=O)Nc1ccccc1C(C)C)CC1CC1 ZINC001335588571 936154417 /nfs/dbraw/zinc/15/44/17/936154417.db2.gz JKBZLPURHJYWRB-UHFFFAOYSA-N 1 1 284.403 3.094 20 30 CGEDMO C#CCOCC[N@H+](C)[C@@H](C)CCSc1ccccc1 ZINC001336065913 936174206 /nfs/dbraw/zinc/17/42/06/936174206.db2.gz BCRGIZCMLBWYMA-HNNXBMFYSA-N 1 1 277.433 3.139 20 30 CGEDMO N#Cc1ccnnc1Nc1ccc([NH+]2CCCCCC2)cc1 ZINC001336454199 936194292 /nfs/dbraw/zinc/19/42/92/936194292.db2.gz CYUCPJPXVMWNSN-UHFFFAOYSA-N 1 1 293.374 3.472 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(Br)cc1NC(C)=O ZINC001336762026 936215283 /nfs/dbraw/zinc/21/52/83/936215283.db2.gz YDOHXSZWHKGQJS-UHFFFAOYSA-N 1 1 297.196 3.025 20 30 CGEDMO CC(C)[N@@H+](C)Cc1cccc(CNC[C@@H](C#N)CCC#N)c1 ZINC001336762881 936215755 /nfs/dbraw/zinc/21/57/55/936215755.db2.gz LRWWOFWHDMHGIH-GOSISDBHSA-N 1 1 298.434 3.060 20 30 CGEDMO CC(C)C[N@@H+](Cc1cccc(C#N)n1)CC(C)(C)C ZINC001474325337 937852095 /nfs/dbraw/zinc/85/20/95/937852095.db2.gz YICWYQOZRJUPTH-UHFFFAOYSA-N 1 1 259.397 3.457 20 30 CGEDMO CCCn1cc(C[N@H+](C)Cc2ccc(C#N)cc2)c(C)n1 ZINC001474364413 937854544 /nfs/dbraw/zinc/85/45/44/937854544.db2.gz DETZXXVIIJTKNO-UHFFFAOYSA-N 1 1 282.391 3.105 20 30 CGEDMO CCCn1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)c(C)n1 ZINC001474364413 937854546 /nfs/dbraw/zinc/85/45/46/937854546.db2.gz DETZXXVIIJTKNO-UHFFFAOYSA-N 1 1 282.391 3.105 20 30 CGEDMO C#CC[N@@H+](CC#CC)Cc1ccc(SC(F)F)cc1 ZINC001474369796 937855686 /nfs/dbraw/zinc/85/56/86/937855686.db2.gz OPXWCIBIBNRQLN-UHFFFAOYSA-N 1 1 279.355 3.460 20 30 CGEDMO C#CC[N@H+](CC#CC)Cc1ccc(SC(F)F)cc1 ZINC001474369796 937855688 /nfs/dbraw/zinc/85/56/88/937855688.db2.gz OPXWCIBIBNRQLN-UHFFFAOYSA-N 1 1 279.355 3.460 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCCC3)C1 ZINC001474646990 937872742 /nfs/dbraw/zinc/87/27/42/937872742.db2.gz JRBGYILKDJRBHX-OAHLLOKOSA-N 1 1 253.389 3.411 20 30 CGEDMO C=CCC(C)(C)C(=O)N(C)C[C@H]1CC[N@H+]1CCC(=C)C ZINC001479250384 937918548 /nfs/dbraw/zinc/91/85/48/937918548.db2.gz RKXKQGIVROSJMH-OAHLLOKOSA-N 1 1 278.440 3.088 20 30 CGEDMO C#CCCCCCC(=O)N1CCCC[C@H]1C[N@H+](C)C(C)C ZINC001479738119 937924564 /nfs/dbraw/zinc/92/45/64/937924564.db2.gz AFYWWMSAQAFREH-KRWDZBQOSA-N 1 1 292.467 3.291 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CCCC)C(C)C)C1 ZINC001479914962 937928988 /nfs/dbraw/zinc/92/89/88/937928988.db2.gz BJGPFTBBRDNUKN-SJORKVTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CCC[N@H+](CC/C=C\CC)C1 ZINC001479909085 937929156 /nfs/dbraw/zinc/92/91/56/937929156.db2.gz XBXUWTZFNVZSPY-GMNBZTITSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC23CC3)C1 ZINC001479910553 937929252 /nfs/dbraw/zinc/92/92/52/937929252.db2.gz BWEFMYCCOZWJSG-HOTGVXAUSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC001479960113 937929807 /nfs/dbraw/zinc/92/98/07/937929807.db2.gz AJDFOTXQEWRRSF-WBVHZDCISA-N 1 1 298.430 3.077 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C/C=C\c2ccc(C)cc2)C1 ZINC001479974366 937930174 /nfs/dbraw/zinc/93/01/74/937930174.db2.gz VDLFQVAZFSYKTM-XFHJGTJQSA-N 1 1 298.430 3.165 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)C/C=C(\C)C=C)C1 ZINC001480082162 937931877 /nfs/dbraw/zinc/93/18/77/937931877.db2.gz NTBLIGQWNOVWDO-KGZWWPETSA-N 1 1 290.451 3.255 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](CC)C(C)C ZINC001480103008 937932267 /nfs/dbraw/zinc/93/22/67/937932267.db2.gz VMPBSXSFPQYRGC-ZACQAIPSSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CCCC1 ZINC001480095148 937932270 /nfs/dbraw/zinc/93/22/70/937932270.db2.gz VPBPIPRZOMBHQQ-OIISXLGYSA-N 1 1 288.435 3.127 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001480245752 937934935 /nfs/dbraw/zinc/93/49/35/937934935.db2.gz BPZHGISHVVBXOH-KRWDZBQOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](CNC(=O)[C@](C)(C=C)CC)C1 ZINC001480263064 937935124 /nfs/dbraw/zinc/93/51/24/937935124.db2.gz QTPLZNRFOBWUCM-SJLPKXTDSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2ccsc2)C1 ZINC001493177366 937947988 /nfs/dbraw/zinc/94/79/88/937947988.db2.gz YHWPDVZRVKKGDZ-KGLIPLIRSA-N 1 1 292.448 3.155 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](CNC(=O)CC(C)(C)C)C1 ZINC001493171424 937948161 /nfs/dbraw/zinc/94/81/61/937948161.db2.gz ALEVXZFPXCECLG-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](CNC(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001493240075 937948576 /nfs/dbraw/zinc/94/85/76/937948576.db2.gz OLPXZNRZENANNY-JKSUJKDBSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C1CC(C)(C(=O)NCC[N@H+](CCC)CC2CCCC2)C1 ZINC001493317899 937949626 /nfs/dbraw/zinc/94/96/26/937949626.db2.gz JNXYBJQWSCNZAF-UHFFFAOYSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)c1c(C)cccc1F ZINC001493336470 937949632 /nfs/dbraw/zinc/94/96/32/937949632.db2.gz GZPVIYREQZLSEJ-UHFFFAOYSA-N 1 1 292.398 3.152 20 30 CGEDMO CC#CC[N@@H+](CCCNC(=O)C[C@@H]1CCC[C@H]1C)C(C)C ZINC001493859852 937951615 /nfs/dbraw/zinc/95/16/15/937951615.db2.gz ZKRDEKRJQYGILN-SJORKVTESA-N 1 1 292.467 3.053 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)C[C@H](C)CCC)C1 ZINC001493942792 937952100 /nfs/dbraw/zinc/95/21/00/937952100.db2.gz RJSIAYFZQLVLQQ-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)C[C@@H](C)CCC)C1 ZINC001493942791 937952108 /nfs/dbraw/zinc/95/21/08/937952108.db2.gz RJSIAYFZQLVLQQ-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H](C)C(C)C)C1 ZINC001493968924 937952374 /nfs/dbraw/zinc/95/23/74/937952374.db2.gz MWGSAOGPCLLKBC-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H](C)C2CC2)C1 ZINC001493946418 937952538 /nfs/dbraw/zinc/95/25/38/937952538.db2.gz FNGQMMUTSCVLSU-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)CCCC(C)C)C1 ZINC001493968575 937952619 /nfs/dbraw/zinc/95/26/19/937952619.db2.gz SCKSAYRYSSVAKV-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](CCNC(=O)C=C2CCCCC2)C1 ZINC001493994839 937952862 /nfs/dbraw/zinc/95/28/62/937952862.db2.gz LEZMACRBFCLGQX-KRWDZBQOSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)CC(C)(C)C)C1 ZINC001494304727 937954149 /nfs/dbraw/zinc/95/41/49/937954149.db2.gz JNOQNWIHDMWYDE-GJZGRUSLSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC(C)(C)C(=O)NC1C[NH+]([C@@H](C)c2cccc(C)c2)C1 ZINC001494436612 937954651 /nfs/dbraw/zinc/95/46/51/937954651.db2.gz ZLCDBLDXLHRRFU-AWEZNQCLSA-N 1 1 286.419 3.069 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CC2CCC2)C1 ZINC001494812073 937956167 /nfs/dbraw/zinc/95/61/67/937956167.db2.gz DPIQGIFDMQYJKH-GDBMZVCRSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)CC2CCC2)C1 ZINC001494812076 937956322 /nfs/dbraw/zinc/95/63/22/937956322.db2.gz DPIQGIFDMQYJKH-ZBFHGGJFSA-N 1 1 278.440 3.064 20 30 CGEDMO C#CCCCCC(=O)N(C)[C@H]1CC[N@H+](CC/C=C\CC)C1 ZINC001494821400 937956592 /nfs/dbraw/zinc/95/65/92/937956592.db2.gz IBAHCWGCZVRRDY-KMDWOBIYSA-N 1 1 290.451 3.069 20 30 CGEDMO C=C(C)CCC(=O)N(C)[C@@H]1CC[N@H+](CC/C=C\CC)C1 ZINC001494826212 937956645 /nfs/dbraw/zinc/95/66/45/937956645.db2.gz WLLONPDKPDPWJZ-MWWKQMNYSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)CC2(C)CCCCC2)C1 ZINC001494837046 937956688 /nfs/dbraw/zinc/95/66/88/937956688.db2.gz QLNNYSJEFFSSIG-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)C1C(C)(C)C1(C)C ZINC001496681517 937963619 /nfs/dbraw/zinc/96/36/19/937963619.db2.gz HIASZXPUHFONRZ-UHFFFAOYSA-N 1 1 280.456 3.025 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2CN(C(=O)C3(CCC)CC3)CC[C@@H]21 ZINC001496861528 937964641 /nfs/dbraw/zinc/96/46/41/937964641.db2.gz HCTOOILEAXKRJS-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC(C)(C)C=C)CC[C@@H]21 ZINC001496862063 937964658 /nfs/dbraw/zinc/96/46/58/937964658.db2.gz VPMAXOBGDOEROB-CVEARBPZSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@H](C)NC(=O)c1oc(C)cc1C ZINC001498253584 937968620 /nfs/dbraw/zinc/96/86/20/937968620.db2.gz GGEDGTKOVUKGGJ-KBPBESRZSA-N 1 1 292.423 3.301 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)CC1=CCCCC1 ZINC001498354960 937969184 /nfs/dbraw/zinc/96/91/84/937969184.db2.gz JFRDWBGIMSXVPA-AWEZNQCLSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@H](C)NC(=O)c1ccc(F)s1 ZINC001498466678 937969883 /nfs/dbraw/zinc/96/98/83/937969883.db2.gz WDXPSGXFOJWKQF-RYUDHWBXSA-N 1 1 298.427 3.292 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC001499071834 937972274 /nfs/dbraw/zinc/97/22/74/937972274.db2.gz KVYNMJNTDQPGEF-CVEARBPZSA-N 1 1 292.467 3.338 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)CC2CCC2)C1 ZINC001500203926 937976475 /nfs/dbraw/zinc/97/64/75/937976475.db2.gz JMKRRCKERUXVOH-WMLDXEAASA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C)C(C)C)C[C@H]2C1 ZINC001501232593 937979180 /nfs/dbraw/zinc/97/91/80/937979180.db2.gz KIYQKJSXXPPSBX-LUKYLMHMSA-N 1 1 292.467 3.023 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)C=C(C)C)CC1 ZINC001502107800 937981187 /nfs/dbraw/zinc/98/11/87/937981187.db2.gz RTEIVRWHZHCZSR-JKSUJKDBSA-N 1 1 278.440 3.278 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)CC(C)(C)C)CC1 ZINC001502147863 937981752 /nfs/dbraw/zinc/98/17/52/937981752.db2.gz RGGBSUZXRAWWHF-HNNXBMFYSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CCC[N@@H+]1Cc2ccc(CNC(=O)[C@H](C)CCC)cc2C1 ZINC001502648689 937982987 /nfs/dbraw/zinc/98/29/87/937982987.db2.gz RHKRCPGJXDZSFS-OAHLLOKOSA-N 1 1 298.430 3.078 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)c2ccoc2C)C[C@@H]1C ZINC001502902561 937983666 /nfs/dbraw/zinc/98/36/66/937983666.db2.gz FNIANXZRDOLSGF-ZFWWWQNUSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@H+](CCC)CC1(C)C ZINC001502835263 937983737 /nfs/dbraw/zinc/98/37/37/937983737.db2.gz XTYFFFOYVWMYEJ-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC(C)=C(C)C)C[C@@H]1C ZINC001502968046 937984128 /nfs/dbraw/zinc/98/41/28/937984128.db2.gz KRQMKXGXBKVBNN-LSDHHAIUSA-N 1 1 298.858 3.454 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC(C)=C(C)C)C[C@@H]1C ZINC001502968046 937984129 /nfs/dbraw/zinc/98/41/29/937984129.db2.gz KRQMKXGXBKVBNN-LSDHHAIUSA-N 1 1 298.858 3.454 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]1C[N@H+](C)CC/C=C/CC ZINC001505424934 937985278 /nfs/dbraw/zinc/98/52/78/937985278.db2.gz XMMIYYPASCUYHB-BVBGJJFLSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001506028453 937988516 /nfs/dbraw/zinc/98/85/16/937988516.db2.gz WOKNZWVNZSFONK-BZUAXINKSA-N 1 1 280.456 3.071 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)CCCc1ccccc1 ZINC001505993101 937988712 /nfs/dbraw/zinc/98/87/12/937988712.db2.gz OGTPOWJHFINBBW-INIZCTEOSA-N 1 1 288.435 3.022 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)CCc1ccc(C)s1 ZINC001506071665 937989231 /nfs/dbraw/zinc/98/92/31/937989231.db2.gz DWFRMFBQQNIHMR-ZDUSSCGKSA-N 1 1 294.464 3.002 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)/C(C)=C\C ZINC001506563804 937990749 /nfs/dbraw/zinc/99/07/49/937990749.db2.gz SMBIHAQJPRROOX-VQEQIULKSA-N 1 1 284.831 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)/C(C)=C\C ZINC001506563804 937990750 /nfs/dbraw/zinc/99/07/50/937990750.db2.gz SMBIHAQJPRROOX-VQEQIULKSA-N 1 1 284.831 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@@H](C)C1CC1 ZINC001506581873 937991023 /nfs/dbraw/zinc/99/10/23/937991023.db2.gz LKEDKJDWQQSIDI-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@H]2CCCCC[N@H+]2CC2CC2)C1 ZINC001506572136 937991082 /nfs/dbraw/zinc/99/10/82/937991082.db2.gz KEAJGPVQHLAFHS-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)C[C@H]2C=CCC2)C(C)(C)C1 ZINC001506727445 937991425 /nfs/dbraw/zinc/99/14/25/937991425.db2.gz IJQLDPQYJSYJJB-JKSUJKDBSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C)CCC)C2)C1 ZINC001506855253 937992140 /nfs/dbraw/zinc/99/21/40/937992140.db2.gz GWDZWNUNZTVAMV-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)[C@H](C)CC)C[C@@]2(C)C1 ZINC001506869561 937992175 /nfs/dbraw/zinc/99/21/75/937992175.db2.gz YVWAUSAEUDWMMF-AHCXZYCDSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)CCCC)CCC[C@@H]12 ZINC001507336558 937995102 /nfs/dbraw/zinc/99/51/02/937995102.db2.gz SYOHBNUOEGOHQQ-UKRRQHHQSA-N 1 1 284.831 3.042 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)CCCC)CCC[C@@H]12 ZINC001507336558 937995103 /nfs/dbraw/zinc/99/51/03/937995103.db2.gz SYOHBNUOEGOHQQ-UKRRQHHQSA-N 1 1 284.831 3.042 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CCC2(C)CC2)[C@@H]1C ZINC001507379285 937995675 /nfs/dbraw/zinc/99/56/75/937995675.db2.gz AWBSFYLFCNHMSB-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C(=O)c1coc(C)c1)C(C)C ZINC001507787404 937996964 /nfs/dbraw/zinc/99/69/64/937996964.db2.gz LDLKFKHBHAHQSX-UHFFFAOYSA-N 1 1 292.423 3.337 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(C2(NC(=O)[C@@H](C)CC)CC2)CC1 ZINC001508156958 937998462 /nfs/dbraw/zinc/99/84/62/937998462.db2.gz OUIHFMOXSXQBPO-LBPRGKRZSA-N 1 1 298.858 3.146 20 30 CGEDMO CCC#C[C@@H](C)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001559530514 938228654 /nfs/dbraw/zinc/22/86/54/938228654.db2.gz BRKIYRCEMKWUMY-QGZVFWFLSA-N 1 1 284.447 3.385 20 30 CGEDMO CCC#C[C@@H](C)[N@@H+]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001559530514 938228655 /nfs/dbraw/zinc/22/86/55/938228655.db2.gz BRKIYRCEMKWUMY-QGZVFWFLSA-N 1 1 284.447 3.385 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001559530514 938228656 /nfs/dbraw/zinc/22/86/56/938228656.db2.gz BRKIYRCEMKWUMY-QGZVFWFLSA-N 1 1 284.447 3.385 20 30 CGEDMO C#CCC[N@H+](CCC)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC001559550881 938229315 /nfs/dbraw/zinc/22/93/15/938229315.db2.gz TZQVQYFSWGPXIX-JKSUJKDBSA-N 1 1 263.425 3.460 20 30 CGEDMO C#CCOCC[N@H+](C)[C@@H]1CCC[C@H]1c1ccc(C)cc1 ZINC001559562619 938229800 /nfs/dbraw/zinc/22/98/00/938229800.db2.gz GJVOIFRWMPHJPC-ZWKOTPCHSA-N 1 1 271.404 3.213 20 30 CGEDMO C#CC[N@H+](CC#CC)CCSc1ccc(Cl)cc1 ZINC001559566876 938229839 /nfs/dbraw/zinc/22/98/39/938229839.db2.gz PYWRAQHOUDSDJJ-UHFFFAOYSA-N 1 1 277.820 3.391 20 30 CGEDMO C#CC[N@@H+](CC#CC)CCSc1ccc(Cl)cc1 ZINC001559566876 938229840 /nfs/dbraw/zinc/22/98/40/938229840.db2.gz PYWRAQHOUDSDJJ-UHFFFAOYSA-N 1 1 277.820 3.391 20 30 CGEDMO C=CCCN(C[C@H]1CCC[N@@H+]1C)OCc1ccccc1 ZINC001559765516 938234855 /nfs/dbraw/zinc/23/48/55/938234855.db2.gz HWHAXXPTJHGGKB-QGZVFWFLSA-N 1 1 274.408 3.091 20 30 CGEDMO CCCCCCCC[N@H+]1[C@H](C)CC[C@H](C(N)=O)[C@@H]1C ZINC001559949453 938239669 /nfs/dbraw/zinc/23/96/69/938239669.db2.gz ZYALMKJTYSMBBJ-ILXRZTDVSA-N 1 1 268.445 3.321 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CCOCc2ccc(OC)cc2)C1 ZINC001559983272 938240815 /nfs/dbraw/zinc/24/08/15/938240815.db2.gz LZBLTVCJPTVXCT-MRXNPFEDSA-N 1 1 289.419 3.500 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1cccc(C(C)(C)C)c1 ZINC001560023883 938241852 /nfs/dbraw/zinc/24/18/52/938241852.db2.gz PFGIZAOQDBEHSC-UHFFFAOYSA-N 1 1 273.420 3.456 20 30 CGEDMO CC[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001560018180 938241952 /nfs/dbraw/zinc/24/19/52/938241952.db2.gz IMAZDIWCVSKMTJ-XKQJLSEDSA-N 1 1 272.392 3.245 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1ccccc1CC(C)C ZINC001560023793 938242036 /nfs/dbraw/zinc/24/20/36/938242036.db2.gz LSIKPGKLZYTMRJ-UHFFFAOYSA-N 1 1 273.420 3.357 20 30 CGEDMO C#CCC[N@@H+](Cc1ccccc1)[C@H](CO)c1ccccc1 ZINC001560071786 938243057 /nfs/dbraw/zinc/24/30/57/938243057.db2.gz OQXDZQUZNQXFKY-LJQANCHMSA-N 1 1 279.383 3.246 20 30 CGEDMO C#CC[N@@H+](C[C@@H]1C[C@@]12CCOC2)[C@@H]1CCCc2ccccc21 ZINC001560172526 938246096 /nfs/dbraw/zinc/24/60/96/938246096.db2.gz ZCWVWJUSWPHBKV-DFQSSKMNSA-N 1 1 295.426 3.426 20 30 CGEDMO C=CCC[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC001560199919 938246660 /nfs/dbraw/zinc/24/66/60/938246660.db2.gz HLBGNQTXWVTSPD-KRWDZBQOSA-N 1 1 297.402 3.317 20 30 CGEDMO CCc1ccc2c(c1)CC[N@H+](CC1(CC#N)CC1)C2 ZINC001560238744 938248547 /nfs/dbraw/zinc/24/85/47/938248547.db2.gz WPCNZBSTNGUUTH-UHFFFAOYSA-N 1 1 254.377 3.301 20 30 CGEDMO C=CC[C@@H]([NH2+]Cc1cn2cccc(F)c2n1)c1ccncc1 ZINC001560338754 938253790 /nfs/dbraw/zinc/25/37/90/938253790.db2.gz KWNNUZXCHNNOBA-MRXNPFEDSA-N 1 1 296.349 3.275 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC001560349141 938254345 /nfs/dbraw/zinc/25/43/45/938254345.db2.gz YBHXMSJAPKTORW-UHFFFAOYSA-N 1 1 296.201 3.427 20 30 CGEDMO N#Cc1cc(C[NH2+]Cc2cccc(F)c2F)cs1 ZINC001560550234 938262605 /nfs/dbraw/zinc/26/26/05/938262605.db2.gz LAHUKITWLPVJSO-UHFFFAOYSA-N 1 1 264.300 3.188 20 30 CGEDMO Fc1ccc(C2C[NH+](CC#Cc3ccccc3)C2)cc1 ZINC001560874813 938281023 /nfs/dbraw/zinc/28/10/23/938281023.db2.gz PDYBCGYPXCRKHB-UHFFFAOYSA-N 1 1 265.331 3.277 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N(C)[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC001494849255 957874924 /nfs/dbraw/zinc/87/49/24/957874924.db2.gz XOIAYARDTZGZJA-RDJZCZTQSA-N 1 1 280.456 3.168 20 30 CGEDMO C[N@H+](Cc1cccnc1)Cc1ccc(Cl)c(C#N)c1 ZINC001238192034 960411695 /nfs/dbraw/zinc/41/16/95/960411695.db2.gz AVKYFVSKIIMUKQ-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO C[N@@H+](Cc1cccnc1)Cc1ccc(Cl)c(C#N)c1 ZINC001238192034 960411702 /nfs/dbraw/zinc/41/17/02/960411702.db2.gz AVKYFVSKIIMUKQ-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](CCC(C)C)C1 ZINC001317136902 960432361 /nfs/dbraw/zinc/43/23/61/960432361.db2.gz HBWCBAQTOOEKSU-HNNXBMFYSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@H](C)C2CC2)C1 ZINC001566746333 960571180 /nfs/dbraw/zinc/57/11/80/960571180.db2.gz GDJBNLZRMHMJTC-HOTGVXAUSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)C ZINC001565831265 960828584 /nfs/dbraw/zinc/82/85/84/960828584.db2.gz DCDRZXQLLZYXPL-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)CCC ZINC001565824508 960830035 /nfs/dbraw/zinc/83/00/35/960830035.db2.gz IZVBXTMUXHVJMY-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)CC ZINC001565824717 960832491 /nfs/dbraw/zinc/83/24/91/960832491.db2.gz LSEZSQSJMIDWKC-CABCVRRESA-N 1 1 280.456 3.310 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)/C(C)=C/CC)C(C)(C)[C@H]21 ZINC001565993593 960869890 /nfs/dbraw/zinc/86/98/90/960869890.db2.gz UCNSUMHIDNOILE-OGFMVLIQSA-N 1 1 290.451 3.134 20 30 CGEDMO C#CCCCC(=O)N[C@H]1CC[N@@H+](CCCC(C)(C)C)[C@@H]1C ZINC001566087414 960885297 /nfs/dbraw/zinc/88/52/97/960885297.db2.gz HDCHAULSQNRTDM-CVEARBPZSA-N 1 1 292.467 3.195 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCCC(C)C)[C@H]1C ZINC001566103956 960885773 /nfs/dbraw/zinc/88/57/73/960885773.db2.gz FJRNRBRRYGGFKF-KGLIPLIRSA-N 1 1 286.847 3.144 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCCC(C)C)[C@H]1C ZINC001566103956 960885785 /nfs/dbraw/zinc/88/57/85/960885785.db2.gz FJRNRBRRYGGFKF-KGLIPLIRSA-N 1 1 286.847 3.144 20 30 CGEDMO C=C(C)C[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@H]1CCC ZINC001566468468 960943039 /nfs/dbraw/zinc/94/30/39/960943039.db2.gz BGFQARNOHQCOCH-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCCNC(=O)C1C=CC=CC=C1 ZINC001566552369 960952411 /nfs/dbraw/zinc/95/24/11/960952411.db2.gz FYHAKZBWJVEEBB-UHFFFAOYSA-N 1 1 288.435 3.079 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC001566570528 960967501 /nfs/dbraw/zinc/96/75/01/960967501.db2.gz JQOAPUCAONIRFW-IAGOWNOFSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)CCCCCC)C1 ZINC001566633186 960968658 /nfs/dbraw/zinc/96/86/58/960968658.db2.gz LSQURJDMBLNDMA-HNNXBMFYSA-N 1 1 266.429 3.114 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](CC)CCCCC)C1 ZINC001566633478 960971067 /nfs/dbraw/zinc/97/10/67/960971067.db2.gz PGTJNCMDHJAIGO-IAGOWNOFSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](C)C(C)(C)C)C1 ZINC001566739066 960999200 /nfs/dbraw/zinc/99/92/00/960999200.db2.gz UJPHDZYHLFJJIZ-JKSUJKDBSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCCC)C1 ZINC001566824333 961021955 /nfs/dbraw/zinc/02/19/55/961021955.db2.gz HPHGETRBZLQCMZ-IRXDYDNUSA-N 1 1 292.467 3.456 20 30 CGEDMO C#CCCCCC(=O)NC[C@H]1CCC[N@H+](C[C@H](C)CC)C1 ZINC001566868382 961039259 /nfs/dbraw/zinc/03/92/59/961039259.db2.gz JJDKHMHCJCPQIP-IAGOWNOFSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCC[N@H+](C[C@H](C)CC(C)C)C1 ZINC001566865950 961040707 /nfs/dbraw/zinc/04/07/07/961040707.db2.gz MNWFLLMMXNBRNV-SJORKVTESA-N 1 1 294.483 3.463 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@H]1CCCC[N@H+]1CC1CCC1 ZINC001566925623 961057144 /nfs/dbraw/zinc/05/71/44/961057144.db2.gz LVIZOSVYFDSORA-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)C2CC2)C1 ZINC001566963305 961072494 /nfs/dbraw/zinc/07/24/94/961072494.db2.gz SCEUOSPDGSVYCK-LSDHHAIUSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]([N@H+](C)C[C@H](F)CC)C1 ZINC001567192855 961130000 /nfs/dbraw/zinc/13/00/00/961130000.db2.gz IXFDCZJJCYQYRT-CABCVRRESA-N 1 1 284.419 3.014 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCCN(C(=O)CC2CC2)C1 ZINC001567184842 961133719 /nfs/dbraw/zinc/13/37/19/961133719.db2.gz LSDRXPPIGMNHNA-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)C2CCC2)C1 ZINC001567185518 961134786 /nfs/dbraw/zinc/13/47/86/961134786.db2.gz YLBXSXHANGNYIZ-GOEBONIOSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@](C)(F)CCCC)C1 ZINC001567196031 961143819 /nfs/dbraw/zinc/14/38/19/961143819.db2.gz WBPSHXVKOUXVCL-HOCLYGCPSA-N 1 1 284.419 3.014 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CCCNC(=O)c1cocc1C ZINC001567257633 961152814 /nfs/dbraw/zinc/15/28/14/961152814.db2.gz PTCAPGVSILMKHC-OAHLLOKOSA-N 1 1 290.407 3.139 20 30 CGEDMO C=C(C)CCC(=O)NCC[N@@H+](C)Cc1cc(C)ccc1F ZINC001567284413 961259186 /nfs/dbraw/zinc/25/91/86/961259186.db2.gz HEKGIQFEUHFQBP-UHFFFAOYSA-N 1 1 292.398 3.038 20 30 CGEDMO C=C(C)CCC(=O)NCC[N@H+](C)Cc1cc(C)ccc1F ZINC001567284413 961259202 /nfs/dbraw/zinc/25/92/02/961259202.db2.gz HEKGIQFEUHFQBP-UHFFFAOYSA-N 1 1 292.398 3.038 20 30 CGEDMO C=CCCCC(=O)NCC[N@H+](C)CC1CCC(C)CC1 ZINC001567300490 961266514 /nfs/dbraw/zinc/26/65/14/961266514.db2.gz QJZJSVJVHOYLFA-UHFFFAOYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)c1sccc1C(C)C ZINC001567324429 961274699 /nfs/dbraw/zinc/27/46/99/961274699.db2.gz ODIRDBPHWXEFNH-UHFFFAOYSA-N 1 1 294.464 3.499 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)c1cccc2ccccc21 ZINC001567316526 961278981 /nfs/dbraw/zinc/27/89/81/961278981.db2.gz HLRNFOMWCMAIEH-UHFFFAOYSA-N 1 1 296.414 3.468 20 30 CGEDMO C#CCC[N@@H+](CC)CCNC(=O)C1(CC(C)C)CCCC1 ZINC001567349066 961289437 /nfs/dbraw/zinc/28/94/37/961289437.db2.gz OJORFHHMYBULTR-UHFFFAOYSA-N 1 1 292.467 3.054 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](CCC)CC(C)C ZINC001567386593 961313370 /nfs/dbraw/zinc/31/33/70/961313370.db2.gz JPTPHVNQOQNQQC-IRXDYDNUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CC[N@@H+](CCC)CCNC(=O)c1ccccc1 ZINC001567421873 961336737 /nfs/dbraw/zinc/33/67/37/961336737.db2.gz HFFAKOGTYCIUDX-UHFFFAOYSA-N 1 1 274.408 3.095 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)C1(C)CCCCC1)C1CC1 ZINC001567448910 961351555 /nfs/dbraw/zinc/35/15/55/961351555.db2.gz KQBHYZNUZQGJEV-UHFFFAOYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)[C@@H]1CCC1(C)C)C(C)C ZINC001567647798 961386439 /nfs/dbraw/zinc/38/64/39/961386439.db2.gz STDFAXSNIVSUEZ-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(CC)CC ZINC001567671432 961400251 /nfs/dbraw/zinc/40/02/51/961400251.db2.gz FBQIYTNRVKYIGR-CALCHBBNSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)C=C2CCC2)C1 ZINC001567697266 961404864 /nfs/dbraw/zinc/40/48/64/961404864.db2.gz ZHZDYYCEOGLYBE-NVXWUHKLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CCC(=O)NCC[C@@H]1CC[N@H+](C[C@H](C)CC)C1 ZINC001567701186 961408041 /nfs/dbraw/zinc/40/80/41/961408041.db2.gz DOMNOZUPDXTDJI-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001567776634 961422452 /nfs/dbraw/zinc/42/24/52/961422452.db2.gz HIMHRRDKJPZUSE-CVEARBPZSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C/C=C/c2ccc(C)cc2)C1 ZINC001567770489 961425397 /nfs/dbraw/zinc/42/53/97/961425397.db2.gz MUOONJVPFUXNFM-MJICGBHWSA-N 1 1 298.430 3.165 20 30 CGEDMO C=CCCCCC[NH+]1CC(NC(=O)C2CC3(CCC3)C2)C1 ZINC001567802659 961432166 /nfs/dbraw/zinc/43/21/66/961432166.db2.gz QVRCUCOBNISFMJ-UHFFFAOYSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCCC ZINC001567860987 961443625 /nfs/dbraw/zinc/44/36/25/961443625.db2.gz FFIWRSJTXRWCBK-JYJNAYRXSA-N 1 1 278.440 3.064 20 30 CGEDMO C#CCCCC(=O)N[C@H]1CC[N@H+]([C@H](C)c2cccc(C)c2)C1 ZINC001567872540 961445316 /nfs/dbraw/zinc/44/53/16/961445316.db2.gz ALTMGDWFMHHTCZ-AEFFLSMTSA-N 1 1 298.430 3.050 20 30 CGEDMO CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCCCCCC ZINC001567863649 961447555 /nfs/dbraw/zinc/44/75/55/961447555.db2.gz JBBIABBJXPDFGO-IRXDYDNUSA-N 1 1 290.451 3.045 20 30 CGEDMO CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCCCCCC ZINC001567863649 961447561 /nfs/dbraw/zinc/44/75/61/961447561.db2.gz JBBIABBJXPDFGO-IRXDYDNUSA-N 1 1 290.451 3.045 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCCCCC1 ZINC001567851818 961448517 /nfs/dbraw/zinc/44/85/17/961448517.db2.gz IZPBFHKLLVWSPM-IRXDYDNUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2oc(C)cc2C)C1 ZINC001567888534 961450712 /nfs/dbraw/zinc/45/07/12/961450712.db2.gz UEXNFXMMHDUOBA-UKRRQHHQSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2c(C)coc2C)C1 ZINC001567890082 961453993 /nfs/dbraw/zinc/45/39/93/961453993.db2.gz BHIDQSYDJXAWLW-UKRRQHHQSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CCCC(=O)N(C)[C@@H]1CC[N@H+](CC2CCC(C)CC2)C1 ZINC001567905834 961456679 /nfs/dbraw/zinc/45/66/79/961456679.db2.gz FOBZBLMFZUSEKZ-OFLPRAFFSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CCC[N@H+](C)CCC1CCN(C(=O)C[C@H](C)CC)CC1 ZINC001568436223 961576655 /nfs/dbraw/zinc/57/66/55/961576655.db2.gz GEQOEAADLAGQHE-MRXNPFEDSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CC[N@@H+](C)CCC1CCN(C(=O)C/C=C(/C)C=C)CC1 ZINC001568438288 961578558 /nfs/dbraw/zinc/57/85/58/961578558.db2.gz BCIHSKXIDSEJAM-APSNUPSMSA-N 1 1 290.451 3.255 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)c1cccc2ccccc21 ZINC001568503530 961603078 /nfs/dbraw/zinc/60/30/78/961603078.db2.gz ICASUFJRNJGRSW-UHFFFAOYSA-N 1 1 296.414 3.420 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CCC(C)C)CC[C@H]21 ZINC001568508117 961603905 /nfs/dbraw/zinc/60/39/05/961603905.db2.gz IZLIJXIRRKXZJL-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H]2CN(C(=O)C(C)C)CC[C@H]21 ZINC001568508378 961604922 /nfs/dbraw/zinc/60/49/22/961604922.db2.gz LHSIGYAFKHMAIC-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)c1cc2occc2s1 ZINC001569138833 961702598 /nfs/dbraw/zinc/70/25/98/961702598.db2.gz WXRZZAWFPFCIHF-NSHDSACASA-N 1 1 292.404 3.121 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)c1ccsc1C ZINC001569356199 961737108 /nfs/dbraw/zinc/73/71/08/961737108.db2.gz SGRIQNMGMPGPIL-JSGCOSHPSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC(C)C ZINC001569462086 961769095 /nfs/dbraw/zinc/76/90/95/961769095.db2.gz UTXCVULAGUETOT-CALCHBBNSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC(CC)CC ZINC001569449060 961770378 /nfs/dbraw/zinc/77/03/78/961770378.db2.gz SKZNBTRTKQZYPY-SJORKVTESA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC(C)(C)C(=O)N(C)C1C[NH+]([C@@H]2CCc3ccccc32)C1 ZINC001569495378 961773660 /nfs/dbraw/zinc/77/36/60/961773660.db2.gz ACEAPHUPHSUEFW-QGZVFWFLSA-N 1 1 298.430 3.029 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCC(=C)C)C2 ZINC001569622259 961798329 /nfs/dbraw/zinc/79/83/29/961798329.db2.gz OSBQHHASFCPXNA-GOSISDBHSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(C)C ZINC001569620482 961799660 /nfs/dbraw/zinc/79/96/60/961799660.db2.gz DULGECNOGNYEBA-CVEARBPZSA-N 1 1 278.440 3.064 20 30 CGEDMO C#CCCCCC(=O)N[C@@]1(C)CC[N@H+]([C@H](C)CCC=C)C1 ZINC001569635357 961806734 /nfs/dbraw/zinc/80/67/34/961806734.db2.gz KAXBHEYBCGZUTI-AEFFLSMTSA-N 1 1 290.451 3.115 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)C(CC)CC)C1 ZINC001569643329 961809979 /nfs/dbraw/zinc/80/99/79/961809979.db2.gz WQGBEDUHKCWKMU-PBHICJAKSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)CC2CCCC2)C1 ZINC001569708873 961825593 /nfs/dbraw/zinc/82/55/93/961825593.db2.gz LPANMEIDRXKMII-GOSISDBHSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@]1(C)CCC[N@@H+](C/C=C/Cl)C1 ZINC001569720543 961843451 /nfs/dbraw/zinc/84/34/51/961843451.db2.gz QAQTXUYINIWXMO-MNDMWVCDSA-N 1 1 298.858 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)CCC ZINC001569912111 961878991 /nfs/dbraw/zinc/87/89/91/961878991.db2.gz FBUGQQSIDCPKEG-HZPDHXFCSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC23CCC3)CC1 ZINC001570184192 961923907 /nfs/dbraw/zinc/92/39/07/961923907.db2.gz YSJUIZITTUPJDH-JKSUJKDBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CC)CCC)C2 ZINC001570275056 961941518 /nfs/dbraw/zinc/94/15/18/961941518.db2.gz OPVWAORQDXZYAX-FUHWJXTLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)C(C)(C)C)C(C)(C)C1 ZINC001570395776 961961587 /nfs/dbraw/zinc/96/15/87/961961587.db2.gz QGAAMSFLZAEHDT-UONOGXRCSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)c1ccoc1C(C)C ZINC001570549322 961995932 /nfs/dbraw/zinc/99/59/32/961995932.db2.gz WRTBYJCUYRQPJE-CQSZACIVSA-N 1 1 290.407 3.125 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(C)=O)C2)C1 ZINC001570548726 962002978 /nfs/dbraw/zinc/00/29/78/962002978.db2.gz QBOPOENCVXFKPL-ROUUACIJSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(F)cc1 ZINC001570694300 962046129 /nfs/dbraw/zinc/04/61/29/962046129.db2.gz ZQSDNDSIBKWBLY-KBPBESRZSA-N 1 1 292.398 3.231 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)c1ccc(Cl)cc1F ZINC001570722087 962058512 /nfs/dbraw/zinc/05/85/12/962058512.db2.gz MGVGXNFGVNGSAW-LLVKDONJSA-N 1 1 298.789 3.105 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)CC1CC(C)(C)C1 ZINC001570730183 962060327 /nfs/dbraw/zinc/06/03/27/962060327.db2.gz LCFXQGWMPJEMBC-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)C(C)(C)CC=C)CC1 ZINC001571334115 962135165 /nfs/dbraw/zinc/13/51/65/962135165.db2.gz MJBSCVNQKPSRBE-UHFFFAOYSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCCC[N@H+]1CC[C@]2(NC(=O)/C(C)=C\C)CCC[C@H]12 ZINC001571498357 962170277 /nfs/dbraw/zinc/17/02/77/962170277.db2.gz CGFMNMWHZWJPLU-ROQQEILZSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)CCCC)[C@H]1C ZINC001571515200 962170318 /nfs/dbraw/zinc/17/03/18/962170318.db2.gz PBSLBFMOFDAYLF-CABCVRRESA-N 1 1 266.429 3.112 20 30 CGEDMO C=CCCC(=O)NC1(C2CC[NH+](CC(=C)Cl)CC2)CC1 ZINC001571668675 962208484 /nfs/dbraw/zinc/20/84/84/962208484.db2.gz ZCXGXCFIMUAOIT-UHFFFAOYSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NCC1=CC[N@@H+](CC[C@H](C)F)CC1 ZINC001571693201 962209122 /nfs/dbraw/zinc/20/91/22/962209122.db2.gz QCYRUTPOPRATOV-GJZGRUSLSA-N 1 1 296.430 3.085 20 30 CGEDMO CCCCCCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001587874679 963230573 /nfs/dbraw/zinc/23/05/73/963230573.db2.gz IUSDSECHEYCQII-INIZCTEOSA-N 1 1 286.435 3.286 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+](CC1CC1)C1CCCCC1 ZINC000590127162 346829739 /nfs/dbraw/zinc/82/97/39/346829739.db2.gz ZBRQOLCHOOPUNS-UHFFFAOYSA-N 1 1 292.467 3.456 20 30 CGEDMO CC(C)C[N@@H+](CCOCCC#N)CCc1ccc(F)cc1 ZINC000590156559 346832743 /nfs/dbraw/zinc/83/27/43/346832743.db2.gz ZUWGXIYEPHDHNJ-UHFFFAOYSA-N 1 1 292.398 3.256 20 30 CGEDMO Cc1ccccc1C[N@H+]1CCCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000590154556 346832937 /nfs/dbraw/zinc/83/29/37/346832937.db2.gz OIPNLVOCZYWYMN-MJGOQNOKSA-N 1 1 297.446 3.195 20 30 CGEDMO Cc1ccccc1CN1CCC[N@@H+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000590154556 346832938 /nfs/dbraw/zinc/83/29/38/346832938.db2.gz OIPNLVOCZYWYMN-MJGOQNOKSA-N 1 1 297.446 3.195 20 30 CGEDMO Cc1ccccc1CN1CCC[N@H+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000590154556 346832942 /nfs/dbraw/zinc/83/29/42/346832942.db2.gz OIPNLVOCZYWYMN-MJGOQNOKSA-N 1 1 297.446 3.195 20 30 CGEDMO C[N@@H+](Cc1cccc2cnccc21)CC(C)(C)C#N ZINC000590371954 346844512 /nfs/dbraw/zinc/84/45/12/346844512.db2.gz GOEIOZROABYOLM-UHFFFAOYSA-N 1 1 253.349 3.216 20 30 CGEDMO CC(C)[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C1CCCC1 ZINC000126003240 187209730 /nfs/dbraw/zinc/20/97/30/187209730.db2.gz LVEVNQFPHYAJTD-KRWDZBQOSA-N 1 1 272.392 3.245 20 30 CGEDMO N#CCC[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000591740877 346934530 /nfs/dbraw/zinc/93/45/30/346934530.db2.gz BOFXHGQCCVGPKJ-NSHDSACASA-N 1 1 255.148 3.484 20 30 CGEDMO CCCC[N@@H+](CC)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000351976525 136384878 /nfs/dbraw/zinc/38/48/78/136384878.db2.gz BWIWQMOQIKHNRH-KRWDZBQOSA-N 1 1 299.418 3.176 20 30 CGEDMO COc1ccc(CCC[N@H+](C)Cc2ccncc2C#N)cc1 ZINC000592064325 346959036 /nfs/dbraw/zinc/95/90/36/346959036.db2.gz RPCAARGBPFFJPN-UHFFFAOYSA-N 1 1 295.386 3.026 20 30 CGEDMO COc1ccc(CCC[N@@H+](C)Cc2ccncc2C#N)cc1 ZINC000592064325 346959039 /nfs/dbraw/zinc/95/90/39/346959039.db2.gz RPCAARGBPFFJPN-UHFFFAOYSA-N 1 1 295.386 3.026 20 30 CGEDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccncc1C#N ZINC000592072884 346960063 /nfs/dbraw/zinc/96/00/63/346960063.db2.gz QGKLLVPVGAJSHX-WWGRRREGSA-N 1 1 255.365 3.106 20 30 CGEDMO C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cc1ccncc1C#N ZINC000592071210 346960632 /nfs/dbraw/zinc/96/06/32/346960632.db2.gz CNMRUUWJCFBDHJ-DOTOQJQBSA-N 1 1 291.398 3.406 20 30 CGEDMO N#Cc1ccc(C[NH2+]C2(c3ccccc3F)CCC2)o1 ZINC000592375951 346980428 /nfs/dbraw/zinc/98/04/28/346980428.db2.gz TZBNJPMEDOBSIX-UHFFFAOYSA-N 1 1 270.307 3.459 20 30 CGEDMO C[N@@H+](CCCNc1ncc(C#N)cc1F)Cc1ccccc1 ZINC000413041142 529892224 /nfs/dbraw/zinc/89/22/24/529892224.db2.gz UNOKALUDCVHUHX-UHFFFAOYSA-N 1 1 298.365 3.026 20 30 CGEDMO CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1cc(C)cc(C#N)c1 ZINC000592803720 347017990 /nfs/dbraw/zinc/01/79/90/347017990.db2.gz DRQZFDONOVEFHR-CYBMUJFWSA-N 1 1 296.374 3.215 20 30 CGEDMO C[C@]1(c2cccc(F)c2)CC[N@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000593040837 347030836 /nfs/dbraw/zinc/03/08/36/347030836.db2.gz MPSAELIJPNFXPZ-COXVUDFISA-N 1 1 272.367 3.481 20 30 CGEDMO CC[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)[C@H](C)CO1 ZINC000593061375 347034626 /nfs/dbraw/zinc/03/46/26/347034626.db2.gz JSFVXJKNELERLJ-PBHICJAKSA-N 1 1 286.419 3.487 20 30 CGEDMO C[C@H]1C[N@@H+](CCCSCC#N)CCc2ccc(F)cc21 ZINC000593116938 347041563 /nfs/dbraw/zinc/04/15/63/347041563.db2.gz MVMITTUXMNSNTA-ZDUSSCGKSA-N 1 1 292.423 3.434 20 30 CGEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCC1(C(N)=O)CCCC1 ZINC000330315568 530051879 /nfs/dbraw/zinc/05/18/79/530051879.db2.gz YUMLRWCBSGDRKW-CYBMUJFWSA-N 1 1 295.427 3.303 20 30 CGEDMO Cc1cc(NCC2(C#N)CCCC2)c2ccccc2[nH+]1 ZINC000593483111 347084622 /nfs/dbraw/zinc/08/46/22/347084622.db2.gz BECNSNYRLWPFCJ-UHFFFAOYSA-N 1 1 265.360 3.461 20 30 CGEDMO CC(C)[N@@H+](CCOc1ccccc1C#N)Cc1ccccn1 ZINC000050071582 345077837 /nfs/dbraw/zinc/07/78/37/345077837.db2.gz UNWNNKJDSFMOJZ-UHFFFAOYSA-N 1 1 295.386 3.243 20 30 CGEDMO N#CCCC[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000053134588 345115401 /nfs/dbraw/zinc/11/54/01/345115401.db2.gz NWZMASDQDYZGFZ-CYBMUJFWSA-N 1 1 264.394 3.033 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)N(CC)C1CCCCC1 ZINC000052890375 345109350 /nfs/dbraw/zinc/10/93/50/345109350.db2.gz TYFTVCCDMWYKEW-UHFFFAOYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cc(Br)ccc1OC ZINC000052896276 345110251 /nfs/dbraw/zinc/11/02/51/345110251.db2.gz YWFYIDHHZOLDSF-UHFFFAOYSA-N 1 1 284.197 3.466 20 30 CGEDMO COc1cc(C[N@@H+](C)CCCC#N)ccc1OC(F)F ZINC000052922932 345111317 /nfs/dbraw/zinc/11/13/17/345111317.db2.gz SJGOHIVVKKWMRB-UHFFFAOYSA-N 1 1 284.306 3.032 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(C(N)=O)cc1)Cc1ccccc1F ZINC000056312490 345162249 /nfs/dbraw/zinc/16/22/49/345162249.db2.gz KIRUBAPHOLMCNH-UHFFFAOYSA-N 1 1 298.361 3.113 20 30 CGEDMO C=CC[N@H+](Cc1ccc(C(N)=O)cc1)Cc1ccccc1F ZINC000056312490 345162253 /nfs/dbraw/zinc/16/22/53/345162253.db2.gz KIRUBAPHOLMCNH-UHFFFAOYSA-N 1 1 298.361 3.113 20 30 CGEDMO CC[N@@H+](CCCCC#N)Cc1ccc(OC)c(OC)c1 ZINC000057600589 345182992 /nfs/dbraw/zinc/18/29/92/345182992.db2.gz UGNCLSUFEYZRQR-UHFFFAOYSA-N 1 1 276.380 3.220 20 30 CGEDMO N#Cc1cccc(C[NH2+]Cc2csc(C3CC3)n2)c1 ZINC000069877202 345386428 /nfs/dbraw/zinc/38/64/28/345386428.db2.gz MAGOFULCLCSMSF-UHFFFAOYSA-N 1 1 269.373 3.182 20 30 CGEDMO CC[C@@H]1C[C@@H](C)C[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000075022263 345490599 /nfs/dbraw/zinc/49/05/99/345490599.db2.gz BKSILEXXOPUPIT-UKRRQHHQSA-N 1 1 288.391 3.066 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCc1ccncc1 ZINC000076153972 345536597 /nfs/dbraw/zinc/53/65/97/345536597.db2.gz AVMCBAVNBSLHDG-OALUTQOASA-N 1 1 291.398 3.396 20 30 CGEDMO Cc1ccc(C[N@@H+](C)CCOc2cccc(C#N)c2)s1 ZINC000076342037 345541148 /nfs/dbraw/zinc/54/11/48/345541148.db2.gz ZTSQAYFEHMOVFE-UHFFFAOYSA-N 1 1 286.400 3.439 20 30 CGEDMO C[C@@H]1CCCC[C@@H]1OCC[N@H+](CCC#N)CC1CC1 ZINC000081514730 345711369 /nfs/dbraw/zinc/71/13/69/345711369.db2.gz VNZCAGHTLWPSTF-ZBFHGGJFSA-N 1 1 264.413 3.207 20 30 CGEDMO C[C@@H]1CCCC[C@@H]1OCC[N@@H+](CCC#N)CC1CC1 ZINC000081514730 345711375 /nfs/dbraw/zinc/71/13/75/345711375.db2.gz VNZCAGHTLWPSTF-ZBFHGGJFSA-N 1 1 264.413 3.207 20 30 CGEDMO CCC[N@H+]1CC[C@H](CNc2c(C#N)cnc3ccccc32)C1 ZINC000091457857 345815248 /nfs/dbraw/zinc/81/52/48/345815248.db2.gz CIBSRVNQXKRBFK-CQSZACIVSA-N 1 1 294.402 3.250 20 30 CGEDMO N#Cc1cc(Cl)ccc1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000091479929 345816298 /nfs/dbraw/zinc/81/62/98/345816298.db2.gz BDULCTXEBFGPNN-LLVKDONJSA-N 1 1 286.766 3.319 20 30 CGEDMO C=CCCC[C@H](C)N1CCC([NH+]2CCCC2)CC1 ZINC000091508794 345817658 /nfs/dbraw/zinc/81/76/58/345817658.db2.gz ZHYWUHJTGMSFRS-HNNXBMFYSA-N 1 1 250.430 3.291 20 30 CGEDMO COCC[N@H+](CCC#N)CC[C@@H]1CCC[C@H](C)C1 ZINC000089129859 345766115 /nfs/dbraw/zinc/76/61/15/345766115.db2.gz QZTGXUNCIUWNQT-GJZGRUSLSA-N 1 1 252.402 3.065 20 30 CGEDMO COCC[N@@H+](CCC#N)CC[C@@H]1CCC[C@H](C)C1 ZINC000089129859 345766117 /nfs/dbraw/zinc/76/61/17/345766117.db2.gz QZTGXUNCIUWNQT-GJZGRUSLSA-N 1 1 252.402 3.065 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(F)cn1 ZINC000092746904 345856077 /nfs/dbraw/zinc/85/60/77/345856077.db2.gz CJPSEMIUUNOOHT-JTQLQIEISA-N 1 1 273.286 3.082 20 30 CGEDMO COc1ccc(C[N@H+]2CCC2(C)C)cc1OCCCC#N ZINC000093460444 345880070 /nfs/dbraw/zinc/88/00/70/345880070.db2.gz JKVHYWSPNMAWTD-UHFFFAOYSA-N 1 1 288.391 3.362 20 30 CGEDMO Cc1cccc2[nH]c(C[NH2+]Cc3ccc(C#N)s3)nc21 ZINC000153617695 346145908 /nfs/dbraw/zinc/14/59/08/346145908.db2.gz XNORHDKKCIIQKU-UHFFFAOYSA-N 1 1 282.372 3.094 20 30 CGEDMO CC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2C)CCS1 ZINC000165509414 346184862 /nfs/dbraw/zinc/18/48/62/346184862.db2.gz HBSHFNHBMXCDMH-HNNXBMFYSA-N 1 1 260.406 3.194 20 30 CGEDMO C[C@H]([NH2+]Cc1nccn1C(F)F)c1cccc(C#N)c1 ZINC000174431732 346242264 /nfs/dbraw/zinc/24/22/64/346242264.db2.gz YMUWTHXCOBWTKM-JTQLQIEISA-N 1 1 276.290 3.001 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNCc2ccc(C#N)cc2)C1 ZINC000237505938 346346393 /nfs/dbraw/zinc/34/63/93/346346393.db2.gz QNKYRLCAJFLXDJ-IYBDPMFKSA-N 1 1 299.462 3.404 20 30 CGEDMO C[C@@H]1C[C@H](C)CN(C(C)(C)C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000237505938 346346396 /nfs/dbraw/zinc/34/63/96/346346396.db2.gz QNKYRLCAJFLXDJ-IYBDPMFKSA-N 1 1 299.462 3.404 20 30 CGEDMO C=CC[C@H]1CC[C@@H]([NH2+][C@H](C)C(=O)OC(C)(C)C)C1 ZINC000593614122 347095279 /nfs/dbraw/zinc/09/52/79/347095279.db2.gz ZWAIOBTUNPUNDD-FRRDWIJNSA-N 1 1 253.386 3.051 20 30 CGEDMO Cc1cc(Br)ccc1C[NH2+][C@H](C)CC#N ZINC000389883555 346573739 /nfs/dbraw/zinc/57/37/39/346573739.db2.gz PUXPLZWCRQEZGZ-SNVBAGLBSA-N 1 1 267.170 3.149 20 30 CGEDMO COc1ccc(C)cc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000397567666 346582968 /nfs/dbraw/zinc/58/29/68/346582968.db2.gz BLNALDREARFVNP-CQSZACIVSA-N 1 1 258.365 3.129 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000397629997 346583430 /nfs/dbraw/zinc/58/34/30/346583430.db2.gz VESQPNXPLSRHJQ-LBPRGKRZSA-N 1 1 290.794 3.401 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000397629997 346583433 /nfs/dbraw/zinc/58/34/33/346583433.db2.gz VESQPNXPLSRHJQ-LBPRGKRZSA-N 1 1 290.794 3.401 20 30 CGEDMO CC[C@H]1COC(C)(C)C[N@H+]1Cc1ccc(C#N)cc1C ZINC000403938686 346598373 /nfs/dbraw/zinc/59/83/73/346598373.db2.gz VQKDGGSINFODIR-INIZCTEOSA-N 1 1 272.392 3.256 20 30 CGEDMO CC(C)O[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000404724852 346600878 /nfs/dbraw/zinc/60/08/78/346600878.db2.gz WURNUDSMHAWPSZ-OAHLLOKOSA-N 1 1 276.355 3.087 20 30 CGEDMO CC(C)O[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000404724852 346600880 /nfs/dbraw/zinc/60/08/80/346600880.db2.gz WURNUDSMHAWPSZ-OAHLLOKOSA-N 1 1 276.355 3.087 20 30 CGEDMO COC[C@H](C)C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000525874640 346641680 /nfs/dbraw/zinc/64/16/80/346641680.db2.gz OKWNBIRNKLPXDJ-HYVNUMGLSA-N 1 1 272.392 3.041 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@H](C3CC3)C2)ccc1C#N ZINC000588977825 346779619 /nfs/dbraw/zinc/77/96/19/346779619.db2.gz AFZOJSWQZCVAEX-KRWDZBQOSA-N 1 1 254.377 3.489 20 30 CGEDMO CCC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(C#N)cn1 ZINC000593951744 347122734 /nfs/dbraw/zinc/12/27/34/347122734.db2.gz HTPDCGLYNPUGJQ-UHFFFAOYSA-N 1 1 295.386 3.374 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1C[C@H](C)OC2(CCCCC2)C1 ZINC000594059755 347146948 /nfs/dbraw/zinc/14/69/48/347146948.db2.gz ZZENMGQZJAIHRK-KGLIPLIRSA-N 1 1 250.386 3.102 20 30 CGEDMO CC[N@@H+]1CCC[C@@H](CNCc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594924651 347230870 /nfs/dbraw/zinc/23/08/70/347230870.db2.gz KHOVEHRICRNFCK-KRWDZBQOSA-N 1 1 297.446 3.063 20 30 CGEDMO CC[N@H+]1CCC[C@@H](CNCc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594924651 347230873 /nfs/dbraw/zinc/23/08/73/347230873.db2.gz KHOVEHRICRNFCK-KRWDZBQOSA-N 1 1 297.446 3.063 20 30 CGEDMO CCC[N@@H+]1CC[C@H](CNCc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594928062 347231631 /nfs/dbraw/zinc/23/16/31/347231631.db2.gz UDRGSEUAGXUMJP-QGZVFWFLSA-N 1 1 297.446 3.063 20 30 CGEDMO CCC[N@H+]1CC[C@H](CNCc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594928062 347231635 /nfs/dbraw/zinc/23/16/35/347231635.db2.gz UDRGSEUAGXUMJP-QGZVFWFLSA-N 1 1 297.446 3.063 20 30 CGEDMO CCC[N@@H+]1CC[C@@H](CNCc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594928060 347231881 /nfs/dbraw/zinc/23/18/81/347231881.db2.gz UDRGSEUAGXUMJP-KRWDZBQOSA-N 1 1 297.446 3.063 20 30 CGEDMO CCC[N@H+]1CC[C@@H](CNCc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594928060 347231883 /nfs/dbraw/zinc/23/18/83/347231883.db2.gz UDRGSEUAGXUMJP-KRWDZBQOSA-N 1 1 297.446 3.063 20 30 CGEDMO CCc1ncc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)o1 ZINC000594957018 347239880 /nfs/dbraw/zinc/23/98/80/347239880.db2.gz MOMODARKRQAPNQ-UHFFFAOYSA-N 1 1 281.359 3.082 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)CCOCc1ccccc1 ZINC000595327030 347292092 /nfs/dbraw/zinc/29/20/92/347292092.db2.gz BYUMQWMQFKVQSX-UHFFFAOYSA-N 1 1 274.408 3.465 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)CCOCc1ccccc1 ZINC000595327030 347292096 /nfs/dbraw/zinc/29/20/96/347292096.db2.gz BYUMQWMQFKVQSX-UHFFFAOYSA-N 1 1 274.408 3.465 20 30 CGEDMO CO[C@@H](C[N@@H+](CCC#N)CC(C)(C)C)C1CCC1 ZINC000595327923 347292295 /nfs/dbraw/zinc/29/22/95/347292295.db2.gz FYCQGOHQVAVGGK-AWEZNQCLSA-N 1 1 252.402 3.063 20 30 CGEDMO CO[C@H](C[N@@H+](CCC#N)CC(C)(C)C)C1CCC1 ZINC000595327924 347292431 /nfs/dbraw/zinc/29/24/31/347292431.db2.gz FYCQGOHQVAVGGK-CQSZACIVSA-N 1 1 252.402 3.063 20 30 CGEDMO COCC[N@@H+](CCC#N)C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000595347219 347295028 /nfs/dbraw/zinc/29/50/28/347295028.db2.gz NTOMBMPSLWTUDJ-SJLPKXTDSA-N 1 1 286.419 3.432 20 30 CGEDMO CC[N@@H+](CCc1ccc(C#N)cc1)Cc1ccncc1 ZINC000595406051 347299519 /nfs/dbraw/zinc/29/95/19/347299519.db2.gz HBQYMMFGCMUPFH-UHFFFAOYSA-N 1 1 265.360 3.018 20 30 CGEDMO C[C@@H](N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc(C#N)c1 ZINC000595057235 347272385 /nfs/dbraw/zinc/27/23/85/347272385.db2.gz VOLXKKMDVWCSJD-CZUORRHYSA-N 1 1 271.408 3.082 20 30 CGEDMO C[C@@H](N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1cccc(C#N)c1 ZINC000595057235 347272386 /nfs/dbraw/zinc/27/23/86/347272386.db2.gz VOLXKKMDVWCSJD-CZUORRHYSA-N 1 1 271.408 3.082 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2nsc3ccccc32)C1 ZINC000595623626 347329697 /nfs/dbraw/zinc/32/96/97/347329697.db2.gz VPGYMDKBDZUFRZ-GFCCVEGCSA-N 1 1 271.389 3.422 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2nsc3ccccc32)C1 ZINC000595623626 347329699 /nfs/dbraw/zinc/32/96/99/347329699.db2.gz VPGYMDKBDZUFRZ-GFCCVEGCSA-N 1 1 271.389 3.422 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000595658463 347334096 /nfs/dbraw/zinc/33/40/96/347334096.db2.gz JLXIOVQGOFQTDR-ZDUSSCGKSA-N 1 1 290.363 3.392 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2csc(C(=O)OCC)n2)C1 ZINC000595657695 347334101 /nfs/dbraw/zinc/33/41/01/347334101.db2.gz AKLJIFZERYTBFN-GFCCVEGCSA-N 1 1 294.420 3.108 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2csc(C(=O)OCC)n2)C1 ZINC000595657695 347334103 /nfs/dbraw/zinc/33/41/03/347334103.db2.gz AKLJIFZERYTBFN-GFCCVEGCSA-N 1 1 294.420 3.108 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000595659352 347334238 /nfs/dbraw/zinc/33/42/38/347334238.db2.gz NAWHMGGKXIBBDR-ZDUSSCGKSA-N 1 1 258.340 3.485 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](CC[S@](=O)c2ccccc2)C1 ZINC000595661354 347335733 /nfs/dbraw/zinc/33/57/33/347335733.db2.gz ZGDJINQPJCOREN-KXBFYZLASA-N 1 1 277.433 3.082 20 30 CGEDMO C=CC[N@H+](Cc1cccc(C(=O)OC)c1)C(C)(C)C ZINC000595763254 347352824 /nfs/dbraw/zinc/35/28/24/347352824.db2.gz MAPZKLLXOOKKEM-UHFFFAOYSA-N 1 1 261.365 3.260 20 30 CGEDMO C[N@H+]1CC[C@H](N[C@H](C#N)c2ccccc2)[C@@H]1c1ccccc1 ZINC000595477431 347309021 /nfs/dbraw/zinc/30/90/21/347309021.db2.gz SQRTWGNUBSLUSE-OTWHNJEPSA-N 1 1 291.398 3.286 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c(Br)c1 ZINC000595809119 347357347 /nfs/dbraw/zinc/35/73/47/347357347.db2.gz GLJQYRDPSCQSHG-DGCLKSJQSA-N 1 1 291.192 3.163 20 30 CGEDMO CC[C@H](C)[N@@H+](CC)CCOc1ccc(C#N)cc1OC ZINC000595592059 347322150 /nfs/dbraw/zinc/32/21/50/347322150.db2.gz ASTAMFXXGWEZKI-ZDUSSCGKSA-N 1 1 276.380 3.066 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595821947 347361020 /nfs/dbraw/zinc/36/10/20/347361020.db2.gz JIMWYADPVGKGIY-UHFFFAOYSA-N 1 1 296.414 3.258 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000595845691 347367431 /nfs/dbraw/zinc/36/74/31/347367431.db2.gz UFCZRUOPHYWBBL-IYBDPMFKSA-N 1 1 272.348 3.320 20 30 CGEDMO C[N@H+](Cc1ccnc(C#N)c1)C[C@@H]1CCc2ccccc21 ZINC000595881506 347370126 /nfs/dbraw/zinc/37/01/26/347370126.db2.gz SSOKDUCIQAFNOJ-INIZCTEOSA-N 1 1 277.371 3.115 20 30 CGEDMO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000596597169 347485781 /nfs/dbraw/zinc/48/57/81/347485781.db2.gz KHKYRZBVKJUBCY-UHFFFAOYSA-N 1 1 294.402 3.060 20 30 CGEDMO CC(C)CCO[C@@H]1CC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000596618550 347490717 /nfs/dbraw/zinc/49/07/17/347490717.db2.gz URFICWGKBNCDED-GOSISDBHSA-N 1 1 286.419 3.238 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@H](CC#N)C2)c(-c2ccccc2)n1 ZINC000597175437 347544541 /nfs/dbraw/zinc/54/45/41/347544541.db2.gz AYOZMIYAKSUIHD-OAHLLOKOSA-N 1 1 294.402 3.213 20 30 CGEDMO CC[N@H+](Cc1ccc(C2(C#N)CC2)cc1)C[C@H]1CCOC1 ZINC000596984212 347524541 /nfs/dbraw/zinc/52/45/41/347524541.db2.gz QYLNTOQZZRZBKZ-MRXNPFEDSA-N 1 1 284.403 3.100 20 30 CGEDMO COC[C@H]1CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597015503 347527633 /nfs/dbraw/zinc/52/76/33/347527633.db2.gz JYQYCDHCKKLJBZ-INIZCTEOSA-N 1 1 284.403 3.100 20 30 CGEDMO COC(C)(C)C[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597027538 347528250 /nfs/dbraw/zinc/52/82/50/347528250.db2.gz FDJSFEOLOQCWDT-UHFFFAOYSA-N 1 1 272.392 3.099 20 30 CGEDMO CC1(C)CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597017963 347528756 /nfs/dbraw/zinc/52/87/56/347528756.db2.gz YSFFUSXYRHFOSE-UHFFFAOYSA-N 1 1 254.377 3.474 20 30 CGEDMO CS[C@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597137260 347539326 /nfs/dbraw/zinc/53/93/26/347539326.db2.gz OQRHHIAFWSMKLX-HNNXBMFYSA-N 1 1 272.417 3.179 20 30 CGEDMO N#CC1(c2ccc(C[N@@H+]3CCC[C@@H](CCO)CC3)cc2)CC1 ZINC000597153008 347540544 /nfs/dbraw/zinc/54/05/44/347540544.db2.gz FXXKGSYYBPLWGT-MRXNPFEDSA-N 1 1 298.430 3.226 20 30 CGEDMO CC[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@H]1CCCOC1 ZINC000597156914 347541382 /nfs/dbraw/zinc/54/13/82/347541382.db2.gz CLAWBYUYGQGMBA-KRWDZBQOSA-N 1 1 284.403 3.243 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C2(CCC2)CO1 ZINC000597158107 347542312 /nfs/dbraw/zinc/54/23/12/347542312.db2.gz SRNWGMDJGKDSCJ-HNNXBMFYSA-N 1 1 296.414 3.385 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000597230921 347558961 /nfs/dbraw/zinc/55/89/61/347558961.db2.gz UWCUBHGRBGKVHB-GOSISDBHSA-N 1 1 277.371 3.484 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000597230921 347558965 /nfs/dbraw/zinc/55/89/65/347558965.db2.gz UWCUBHGRBGKVHB-GOSISDBHSA-N 1 1 277.371 3.484 20 30 CGEDMO CN1CC[C@@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1(C)C ZINC000598982835 347703895 /nfs/dbraw/zinc/70/38/95/347703895.db2.gz QDIUJRKJEKGTEZ-AEFFLSMTSA-N 1 1 297.446 3.398 20 30 CGEDMO C[N@@H+]1CC[C@@H](N[C@H]2CCCc3cc(C#N)ccc32)CC1(C)C ZINC000598982835 347703897 /nfs/dbraw/zinc/70/38/97/347703897.db2.gz QDIUJRKJEKGTEZ-AEFFLSMTSA-N 1 1 297.446 3.398 20 30 CGEDMO C[N@H+]1CC[C@@H](N[C@H]2CCCc3cc(C#N)ccc32)CC1(C)C ZINC000598982835 347703899 /nfs/dbraw/zinc/70/38/99/347703899.db2.gz QDIUJRKJEKGTEZ-AEFFLSMTSA-N 1 1 297.446 3.398 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)C[C@H](O)CC(C)(C)C#N ZINC000598584682 347666269 /nfs/dbraw/zinc/66/62/69/347666269.db2.gz RSUUGZYQOWVKRY-CYBMUJFWSA-N 1 1 278.421 3.037 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000598586787 347666683 /nfs/dbraw/zinc/66/66/83/347666683.db2.gz ZTABQEVLDGJJRV-MRXNPFEDSA-N 1 1 290.382 3.091 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)CC(C)(C)C#N ZINC000598585422 347666988 /nfs/dbraw/zinc/66/69/88/347666988.db2.gz CZOWFWAEOKVWSO-KRWDZBQOSA-N 1 1 299.418 3.071 20 30 CGEDMO CCC[N@H+](Cc1ccccc1F)C[C@@H](O)CC(C)(C)C#N ZINC000598587919 347667460 /nfs/dbraw/zinc/66/74/60/347667460.db2.gz WGBMSKLEZDLFGS-HNNXBMFYSA-N 1 1 292.398 3.338 20 30 CGEDMO CC(C)[N@H+](Cc1ccccc1)C[C@@H](O)CC(C)(C)C#N ZINC000598591091 347667811 /nfs/dbraw/zinc/66/78/11/347667811.db2.gz ZMLMDVTYSINUHW-INIZCTEOSA-N 1 1 274.408 3.198 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000598594460 347668542 /nfs/dbraw/zinc/66/85/42/347668542.db2.gz KHYOWGYPIYSFDS-SJLPKXTDSA-N 1 1 298.430 3.439 20 30 CGEDMO CCCCC[C@@H]1CCC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598593051 347668551 /nfs/dbraw/zinc/66/85/51/347668551.db2.gz OOIRCYJVDPNIFC-CABCVRRESA-N 1 1 266.429 3.332 20 30 CGEDMO C[C@]12CCCC[C@H]1C[N@H+]2CCC(=O)Nc1ccc(C#N)cc1 ZINC000599674321 347764241 /nfs/dbraw/zinc/76/42/41/347764241.db2.gz BZENZNTVZHTGTN-YJBOKZPZSA-N 1 1 297.402 3.151 20 30 CGEDMO N#CCc1cccc2c1CC[N@H+](C[C@@H](O)CC1CCCC1)C2 ZINC000599679161 347765145 /nfs/dbraw/zinc/76/51/45/347765145.db2.gz WSWORBWLKQUVAS-SFHVURJKSA-N 1 1 298.430 3.052 20 30 CGEDMO C/C=C/C[C@@H]1CCC[N@@H+](Cc2ccncc2C#N)C1 ZINC000599690952 347766829 /nfs/dbraw/zinc/76/68/29/347766829.db2.gz PROLUDGDDCLNMP-BAABZTOOSA-N 1 1 255.365 3.131 20 30 CGEDMO Cc1ccc(CN2CCC[N@H+](C3CCCC3)CC2)cc1C#N ZINC000599296888 347732283 /nfs/dbraw/zinc/73/22/83/347732283.db2.gz FXIIYIFKJRMDHS-UHFFFAOYSA-N 1 1 297.446 3.317 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCS[C@@H](C)[C@H]2C)cc1C#N ZINC000599304050 347733739 /nfs/dbraw/zinc/73/37/39/347733739.db2.gz PKBNOTVFAFTWGN-OLZOCXBDSA-N 1 1 260.406 3.193 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCOCC23CCCC3)cc1C#N ZINC000599338853 347737084 /nfs/dbraw/zinc/73/70/84/347737084.db2.gz HQLPPNGNWSHLEV-UHFFFAOYSA-N 1 1 270.376 3.012 20 30 CGEDMO Cc1ccc(C[N@H+]2CCOCC23CCCC3)cc1C#N ZINC000599338853 347737087 /nfs/dbraw/zinc/73/70/87/347737087.db2.gz HQLPPNGNWSHLEV-UHFFFAOYSA-N 1 1 270.376 3.012 20 30 CGEDMO Cc1ccc(C[N@H+](C)[C@@H](C)c2ccncc2)cc1C#N ZINC000599348195 347738269 /nfs/dbraw/zinc/73/82/69/347738269.db2.gz NFULJLOCCKJJEH-AWEZNQCLSA-N 1 1 265.360 3.455 20 30 CGEDMO CC(C)C[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(C)(C#N)CC1 ZINC000599365066 347740625 /nfs/dbraw/zinc/74/06/25/347740625.db2.gz BFMZGVMZDBDMCK-CQSZACIVSA-N 1 1 294.439 3.368 20 30 CGEDMO CCOC1CC2(C1)CC[N@@H+](Cc1ccc(C)c(C#N)c1)C2 ZINC000599417028 347743058 /nfs/dbraw/zinc/74/30/58/347743058.db2.gz IXOCXUJXSDDMIL-UHFFFAOYSA-N 1 1 284.403 3.258 20 30 CGEDMO Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc1C#N ZINC000599431377 347744052 /nfs/dbraw/zinc/74/40/52/347744052.db2.gz GRDXFAVYQTZFTJ-GUDVDZBRSA-N 1 1 298.430 3.382 20 30 CGEDMO COc1ccc(C[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)cc1C#N ZINC000599514206 347749004 /nfs/dbraw/zinc/74/90/04/347749004.db2.gz VLVTZMAEDRFTHI-TXEJJXNPSA-N 1 1 294.345 3.290 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cc(C(=O)OC)oc2CC)C1 ZINC000599526869 347750526 /nfs/dbraw/zinc/75/05/26/347750526.db2.gz VIMCCJSJIPLHJV-LBPRGKRZSA-N 1 1 277.364 3.027 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2nc([C@@H](C)SCC)no2)C1 ZINC000599526842 347750609 /nfs/dbraw/zinc/75/06/09/347750609.db2.gz UYPLYNIWZVTCRU-NEPJUHHUSA-N 1 1 281.425 3.282 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2nc([C@@H](C)SCC)no2)C1 ZINC000599526842 347750612 /nfs/dbraw/zinc/75/06/12/347750612.db2.gz UYPLYNIWZVTCRU-NEPJUHHUSA-N 1 1 281.425 3.282 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000599526136 347750764 /nfs/dbraw/zinc/75/07/64/347750764.db2.gz FUNBTMLEODVRFV-GFCCVEGCSA-N 1 1 276.336 3.001 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CCC(C)(C)CC(=O)OCC)C1 ZINC000599530064 347751190 /nfs/dbraw/zinc/75/11/90/347751190.db2.gz SQJFEVAZRNVAOG-AWEZNQCLSA-N 1 1 267.413 3.254 20 30 CGEDMO CC1(C)CCC(C)(C)[N@@H+](Cc2ccncc2C#N)C1 ZINC000599537563 347752517 /nfs/dbraw/zinc/75/25/17/347752517.db2.gz FCAJHOYRZRPQFJ-UHFFFAOYSA-N 1 1 257.381 3.354 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1 ZINC000599552054 347753582 /nfs/dbraw/zinc/75/35/82/347753582.db2.gz DRCHMKJGDNRYDL-CABCVRRESA-N 1 1 258.390 3.028 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1C#N ZINC000599552691 347753770 /nfs/dbraw/zinc/75/37/70/347753770.db2.gz HVLWZTYXMCSWBV-CABCVRRESA-N 1 1 288.416 3.037 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](c3ccc(O)cc3)C2)c1 ZINC000600214801 347794825 /nfs/dbraw/zinc/79/48/25/347794825.db2.gz UETSJAHLBKCLIU-QGZVFWFLSA-N 1 1 278.355 3.253 20 30 CGEDMO Cc1[nH+]ccn1CCSCc1ccc(C)c(C#N)c1 ZINC000600650096 347827123 /nfs/dbraw/zinc/82/71/23/347827123.db2.gz CAERCLKSDARZNM-UHFFFAOYSA-N 1 1 271.389 3.305 20 30 CGEDMO Cc1ncc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)o1 ZINC000600129990 347782968 /nfs/dbraw/zinc/78/29/68/347782968.db2.gz FOQIUYMIZCQTNL-UHFFFAOYSA-N 1 1 279.343 3.144 20 30 CGEDMO Cc1ncc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)o1 ZINC000600129990 347782969 /nfs/dbraw/zinc/78/29/69/347782969.db2.gz FOQIUYMIZCQTNL-UHFFFAOYSA-N 1 1 279.343 3.144 20 30 CGEDMO C[C@@]1(C[N@H+]2Cc3ccc(C#N)cc3C2)CCCS1 ZINC000600176326 347789642 /nfs/dbraw/zinc/78/96/42/347789642.db2.gz LBCCGLZCRWIQBA-HNNXBMFYSA-N 1 1 258.390 3.160 20 30 CGEDMO Cc1cc(C#N)cc(N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000601139808 347874302 /nfs/dbraw/zinc/87/43/02/347874302.db2.gz MVYNIUOOGHVWCA-ZBFHGGJFSA-N 1 1 298.434 3.327 20 30 CGEDMO CC(C)[C@@H]1[N@@H+](C[C@H](O)CC2(C#N)CC2)CC12CCCCC2 ZINC000601958805 347929368 /nfs/dbraw/zinc/92/93/68/347929368.db2.gz KESKRCUDHRMNLP-CVEARBPZSA-N 1 1 290.451 3.332 20 30 CGEDMO CC(C)[N@@H+](Cc1cccc(C#N)n1)C1CCCCC1 ZINC000602432237 347957202 /nfs/dbraw/zinc/95/72/02/347957202.db2.gz FXCTXQUMDSCCLN-UHFFFAOYSA-N 1 1 257.381 3.496 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]2c2cccs2)n1 ZINC000602436608 347957356 /nfs/dbraw/zinc/95/73/56/347957356.db2.gz XOMXRKAQZBUILS-AWEZNQCLSA-N 1 1 269.373 3.352 20 30 CGEDMO Cc1cccc(OCC[N@H+](C)C[C@@H](C)CCC#N)c1 ZINC000602435655 347957376 /nfs/dbraw/zinc/95/73/76/347957376.db2.gz KAJPDUGUVQTFPZ-HNNXBMFYSA-N 1 1 260.381 3.246 20 30 CGEDMO N#Cc1ccc(C[N@@H+](CCC[C@H]2CCO2)C2CC2)cc1 ZINC000602438788 347958154 /nfs/dbraw/zinc/95/81/54/347958154.db2.gz AHMBFPGOSZPIGW-KRWDZBQOSA-N 1 1 270.376 3.092 20 30 CGEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(=O)[nH]c1 ZINC000602439818 347958331 /nfs/dbraw/zinc/95/83/31/347958331.db2.gz NFWKJMIIEYNKSI-UHFFFAOYSA-N 1 1 281.359 3.069 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000602444223 347959091 /nfs/dbraw/zinc/95/90/91/347959091.db2.gz ZGTWKMXWZIFHKC-XJKSGUPXSA-N 1 1 276.355 3.139 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000602444223 347959095 /nfs/dbraw/zinc/95/90/95/347959095.db2.gz ZGTWKMXWZIFHKC-XJKSGUPXSA-N 1 1 276.355 3.139 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000602448041 347960066 /nfs/dbraw/zinc/96/00/66/347960066.db2.gz QNHYQJWYAUJGAE-HNNXBMFYSA-N 1 1 294.402 3.170 20 30 CGEDMO CC[N@@H+](C[C@@H](C)CCC#N)[C@@H]1CCN(c2ccccc2)C1=O ZINC000602477275 347964694 /nfs/dbraw/zinc/96/46/94/347964694.db2.gz ZZDSAVSQSFPALJ-DOTOQJQBSA-N 1 1 299.418 3.054 20 30 CGEDMO CCCO[C@@H]1CCC[N@@H+](C[C@H](C)CCC#N)CC1 ZINC000602474859 347965018 /nfs/dbraw/zinc/96/50/18/347965018.db2.gz ODVSORCJBPMZHW-HUUCEWRRSA-N 1 1 252.402 3.207 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000602474331 347965213 /nfs/dbraw/zinc/96/52/13/347965213.db2.gz HAKWKKKHPBQWLC-MCIONIFRSA-N 1 1 252.427 3.286 20 30 CGEDMO CCC(CC)[C@H](C[NH2+]C[C@H](C)CCC#N)N1CCCC1 ZINC000602509365 347972784 /nfs/dbraw/zinc/97/27/84/347972784.db2.gz GJYXDPUHGCWATM-WBVHZDCISA-N 1 1 279.472 3.416 20 30 CGEDMO C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000602787496 348029116 /nfs/dbraw/zinc/02/91/16/348029116.db2.gz TYDHDFQXRDERPZ-RANZSIQMSA-N 1 1 284.403 3.183 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC000602698347 348011902 /nfs/dbraw/zinc/01/19/02/348011902.db2.gz NSYDGOJGQCVTMQ-KFWWJZLASA-N 1 1 294.439 3.368 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCSC[C@H]1C1CCC1 ZINC000602698128 348011987 /nfs/dbraw/zinc/01/19/87/348011987.db2.gz YELFEDRDVXPIQW-JSGCOSHPSA-N 1 1 252.427 3.144 20 30 CGEDMO C/C=C/C[C@@H]1CCC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602729003 348019523 /nfs/dbraw/zinc/01/95/23/348019523.db2.gz HAAZGRFDSIWLCL-BAABZTOOSA-N 1 1 255.365 3.131 20 30 CGEDMO N#CCCN1CC[NH+](Cc2ccc(F)c3ccccc23)CC1 ZINC000602751798 348023679 /nfs/dbraw/zinc/02/36/79/348023679.db2.gz KNVAXEBSBZPNCD-UHFFFAOYSA-N 1 1 297.377 3.010 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc2c1CCOC2 ZINC000602757932 348024290 /nfs/dbraw/zinc/02/42/90/348024290.db2.gz BYQKEYHEYBNSIX-UHFFFAOYSA-N 1 1 292.382 3.263 20 30 CGEDMO C[C@@H]1C[N@H+](CC2(CC#N)CC2)C[C@@H](c2ccccc2)O1 ZINC000602761903 348024627 /nfs/dbraw/zinc/02/46/27/348024627.db2.gz BSLRPBMKTBPWHV-ZBFHGGJFSA-N 1 1 270.376 3.142 20 30 CGEDMO C[C@@H]1C[N@@H+](CC2(CC#N)CC2)C[C@@H](c2ccccc2)O1 ZINC000602761903 348024630 /nfs/dbraw/zinc/02/46/30/348024630.db2.gz BSLRPBMKTBPWHV-ZBFHGGJFSA-N 1 1 270.376 3.142 20 30 CGEDMO C[C@H]1OCC[C@H]1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000602801049 348031450 /nfs/dbraw/zinc/03/14/50/348031450.db2.gz YZIPVOMFDWCZMA-KDOFPFPSSA-N 1 1 282.387 3.072 20 30 CGEDMO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1CC1(CC#N)CC1 ZINC000602807190 348032205 /nfs/dbraw/zinc/03/22/05/348032205.db2.gz QUMIKHNMXVWSFK-QWRGUYRKSA-N 1 1 260.303 3.343 20 30 CGEDMO COc1ccc(C[N@@H+](C)CC2(CC#N)CC2)cc1Cl ZINC000602843958 348036391 /nfs/dbraw/zinc/03/63/91/348036391.db2.gz MMCGBXJVZARAPQ-UHFFFAOYSA-N 1 1 278.783 3.474 20 30 CGEDMO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1CC1(CC#N)CC1 ZINC000602846095 348036422 /nfs/dbraw/zinc/03/64/22/348036422.db2.gz LSIFCLKIXBUUIO-KGLIPLIRSA-N 1 1 292.423 3.122 20 30 CGEDMO N#CCC1(C[N@@H+]2CCC[C@@H](O)[C@H]2CCc2ccccc2)CC1 ZINC000602852837 348037505 /nfs/dbraw/zinc/03/75/05/348037505.db2.gz RPWBZZLTXZKDGY-QZTJIDSGSA-N 1 1 298.430 3.138 20 30 CGEDMO C[N@@H+](CCc1ccc(F)c(F)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602978084 348049441 /nfs/dbraw/zinc/04/94/41/348049441.db2.gz LIEGRKHILMIJID-IUODEOHRSA-N 1 1 264.319 3.131 20 30 CGEDMO C[N@@H+](CCCCC1CCOCC1)[C@H]1CCC[C@@H]1C#N ZINC000602982563 348052533 /nfs/dbraw/zinc/05/25/33/348052533.db2.gz UVWXAUHHDASDLT-CVEARBPZSA-N 1 1 264.413 3.207 20 30 CGEDMO CC[N@@H+](CCOc1cccc(C#N)c1)CCC(F)(F)F ZINC000604525326 348123826 /nfs/dbraw/zinc/12/38/26/348123826.db2.gz ORGXMVRQUISMGW-UHFFFAOYSA-N 1 1 286.297 3.211 20 30 CGEDMO Cc1nccc([C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)n1 ZINC000603833998 348097540 /nfs/dbraw/zinc/09/75/40/348097540.db2.gz CLAOUQJIQKARLS-KRWDZBQOSA-N 1 1 292.386 3.036 20 30 CGEDMO C=CCCCCCN(C)C(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000606933020 348210247 /nfs/dbraw/zinc/21/02/47/348210247.db2.gz OKTKZCOYTVJEQI-OWCLPIDISA-N 1 1 280.456 3.453 20 30 CGEDMO C=CC[N@@H+](CCOC[C@H]1CCCO1)CC1CCCCC1 ZINC000607358239 348235413 /nfs/dbraw/zinc/23/54/13/348235413.db2.gz FGNPOPINCBSNIJ-QGZVFWFLSA-N 1 1 281.440 3.250 20 30 CGEDMO CCC[C@H](C#N)NC(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000608816251 348329869 /nfs/dbraw/zinc/32/98/69/348329869.db2.gz KFOOVPOPSGTZMA-MRXNPFEDSA-N 1 1 299.418 3.093 20 30 CGEDMO C[C@@H](CNc1ncc(C#N)cc1Cl)[N@H+]1CCC[C@@H](C)C1 ZINC000608885916 348333897 /nfs/dbraw/zinc/33/38/97/348333897.db2.gz GUEWHRMLKQCWLF-NEPJUHHUSA-N 1 1 292.814 3.139 20 30 CGEDMO CC[N@@H+](Cc1ccc(F)cc1C#N)[C@@H]1CCOC(C)(C)C1 ZINC000351960679 219265090 /nfs/dbraw/zinc/26/50/90/219265090.db2.gz WWEXZHDPBOWGCW-MRXNPFEDSA-N 1 1 290.382 3.477 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]2c2cccs2)ccn1 ZINC000610991615 348413948 /nfs/dbraw/zinc/41/39/48/348413948.db2.gz UGQXUVKEWWKJOW-CQSZACIVSA-N 1 1 269.373 3.352 20 30 CGEDMO CCS[C@H]1CCCC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000610992793 348415058 /nfs/dbraw/zinc/41/50/58/348415058.db2.gz JUJLLXLMGINMEZ-HNNXBMFYSA-N 1 1 275.421 3.061 20 30 CGEDMO CC[N@@H+](Cc1ccnc(C#N)c1)[C@H](C)c1cccc(O)c1 ZINC000610994664 348416065 /nfs/dbraw/zinc/41/60/65/348416065.db2.gz MAIUTNNXOPPNKX-CYBMUJFWSA-N 1 1 281.359 3.242 20 30 CGEDMO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000610993706 348416398 /nfs/dbraw/zinc/41/63/98/348416398.db2.gz CORUGDGXNZLJHM-QGZVFWFLSA-N 1 1 280.375 3.019 20 30 CGEDMO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610993706 348416401 /nfs/dbraw/zinc/41/64/01/348416401.db2.gz CORUGDGXNZLJHM-QGZVFWFLSA-N 1 1 280.375 3.019 20 30 CGEDMO CC(C)C[C@@H]1CCC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000610994181 348416753 /nfs/dbraw/zinc/41/67/53/348416753.db2.gz PDYDJJDULASPFM-AWEZNQCLSA-N 1 1 257.381 3.211 20 30 CGEDMO Cc1csc(C2([NH2+]Cc3ccnc(C#N)c3)CCCC2)n1 ZINC000610995009 348417616 /nfs/dbraw/zinc/41/76/16/348417616.db2.gz TYAOGWYRWLSNDI-UHFFFAOYSA-N 1 1 298.415 3.277 20 30 CGEDMO CCOc1ccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)nc1 ZINC000611084026 348421811 /nfs/dbraw/zinc/42/18/11/348421811.db2.gz UAZKLNXEWNZVLA-UHFFFAOYSA-N 1 1 293.370 3.131 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000611390596 348444307 /nfs/dbraw/zinc/44/43/07/348444307.db2.gz KBPPQOGYFXDXMA-IPMKNSEASA-N 1 1 295.430 3.152 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCN2CCCC[C@H]12 ZINC000611390596 348444308 /nfs/dbraw/zinc/44/43/08/348444308.db2.gz KBPPQOGYFXDXMA-IPMKNSEASA-N 1 1 295.430 3.152 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2NCCC[NH+]1CCCCC1 ZINC000611390377 348444689 /nfs/dbraw/zinc/44/46/89/348444689.db2.gz WVKQNAWVLOMNST-IBGZPJMESA-N 1 1 297.446 3.401 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCN1CCCCC1 ZINC000611390377 348444692 /nfs/dbraw/zinc/44/46/92/348444692.db2.gz WVKQNAWVLOMNST-IBGZPJMESA-N 1 1 297.446 3.401 20 30 CGEDMO COc1ccc(C[N@@H+]2CC=CCC2)cc1OCCCC#N ZINC000611521211 348458349 /nfs/dbraw/zinc/45/83/49/348458349.db2.gz VTOBSOROAWZYDG-UHFFFAOYSA-N 1 1 286.375 3.140 20 30 CGEDMO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1ccc(C#N)o1 ZINC000611561444 348461175 /nfs/dbraw/zinc/46/11/75/348461175.db2.gz ALOAGMFCRXELHV-UWVGGRQHSA-N 1 1 272.270 3.314 20 30 CGEDMO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1ccc(C#N)o1 ZINC000611561444 348461178 /nfs/dbraw/zinc/46/11/78/348461178.db2.gz ALOAGMFCRXELHV-UWVGGRQHSA-N 1 1 272.270 3.314 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612158089 348497929 /nfs/dbraw/zinc/49/79/29/348497929.db2.gz HKYPTLGMFGWHEK-XJKSGUPXSA-N 1 1 253.349 3.245 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612158089 348497930 /nfs/dbraw/zinc/49/79/30/348497930.db2.gz HKYPTLGMFGWHEK-XJKSGUPXSA-N 1 1 253.349 3.245 20 30 CGEDMO CCc1cccc(OCC[N@@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000612164129 348498286 /nfs/dbraw/zinc/49/82/86/348498286.db2.gz ZXHPPJIHPSSGSZ-QGZVFWFLSA-N 1 1 272.392 3.253 20 30 CGEDMO CCc1cccc(OCC[N@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000612164129 348498288 /nfs/dbraw/zinc/49/82/88/348498288.db2.gz ZXHPPJIHPSSGSZ-QGZVFWFLSA-N 1 1 272.392 3.253 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](CCCc2cccc(F)c2)C1 ZINC000612166393 348499105 /nfs/dbraw/zinc/49/91/05/348499105.db2.gz SWXUGRXEBTZDQW-MRXNPFEDSA-N 1 1 260.356 3.384 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](CCCc2cccc(F)c2)C1 ZINC000612166391 348499128 /nfs/dbraw/zinc/49/91/28/348499128.db2.gz SWXUGRXEBTZDQW-INIZCTEOSA-N 1 1 260.356 3.384 20 30 CGEDMO Cc1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)o1 ZINC000612203731 348501543 /nfs/dbraw/zinc/50/15/43/348501543.db2.gz LSWPQORZZKTVDC-LLVKDONJSA-N 1 1 258.296 3.450 20 30 CGEDMO COc1c(C)cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1C ZINC000612405555 348516722 /nfs/dbraw/zinc/51/67/22/348516722.db2.gz AAZHCJUIRNZPHY-KRWDZBQOSA-N 1 1 272.392 3.438 20 30 CGEDMO COc1c(C)cc(C[N@H+]2CCC[C@@](C)(C#N)C2)cc1C ZINC000612405555 348516723 /nfs/dbraw/zinc/51/67/23/348516723.db2.gz AAZHCJUIRNZPHY-KRWDZBQOSA-N 1 1 272.392 3.438 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@H](CCO)C2)cc1 ZINC000614165682 348653730 /nfs/dbraw/zinc/65/37/30/348653730.db2.gz IVZJVNYEFFASLC-HNNXBMFYSA-N 1 1 286.419 3.082 20 30 CGEDMO CCCCC[N@@H+](CCO)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614166882 348654565 /nfs/dbraw/zinc/65/45/65/348654565.db2.gz IEXZZGYVYSUJMX-UHFFFAOYSA-N 1 1 288.435 3.472 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)cc1 ZINC000614171567 348654665 /nfs/dbraw/zinc/65/46/65/348654665.db2.gz RGCJLSICAOMEBU-SJLPKXTDSA-N 1 1 298.430 3.489 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCOCC3(CCCC3)C2)cc1 ZINC000614222812 348659931 /nfs/dbraw/zinc/65/99/31/348659931.db2.gz GMDSZBLIMNPUHE-UHFFFAOYSA-N 1 1 284.403 3.145 20 30 CGEDMO COCC[N@@H+](CCC#N)[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000615113818 348715418 /nfs/dbraw/zinc/71/54/18/348715418.db2.gz XYZMUSQXQKZWGN-ROUUACIJSA-N 1 1 286.419 3.359 20 30 CGEDMO CC[N@H+](Cc1ccc(C#N)cc1Cl)C[C@@H]1CCOC1 ZINC000615223964 348724971 /nfs/dbraw/zinc/72/49/71/348724971.db2.gz JDLBAZHHDHIHNR-ZDUSSCGKSA-N 1 1 278.783 3.070 20 30 CGEDMO COc1cc(C)c([C@@H](C)[N@H+](C)C[C@H](C)C#N)cc1C ZINC000614530576 348682063 /nfs/dbraw/zinc/68/20/63/348682063.db2.gz ACZIVDCMQUTCSC-BXUZGUMPSA-N 1 1 260.381 3.465 20 30 CGEDMO COc1cc(C)c([C@@H](C)[N@@H+](C)C[C@H](C)C#N)cc1C ZINC000614530576 348682066 /nfs/dbraw/zinc/68/20/66/348682066.db2.gz ACZIVDCMQUTCSC-BXUZGUMPSA-N 1 1 260.381 3.465 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@@H](O)C(C)(C)C2)cc1 ZINC000614996539 348705994 /nfs/dbraw/zinc/70/59/94/348705994.db2.gz JGWJSFMAMIKWDV-MRXNPFEDSA-N 1 1 286.419 3.081 20 30 CGEDMO Cc1ccccc1C[N@H+](Cc1cc(C#N)n(C)c1)C1CC1 ZINC000616725805 348874162 /nfs/dbraw/zinc/87/41/62/348874162.db2.gz AMXPBOKFPNYDNK-UHFFFAOYSA-N 1 1 279.387 3.370 20 30 CGEDMO Cc1cc(C[NH2+]Cc2ccc(Cl)o2)ccc1C#N ZINC000618190719 349060459 /nfs/dbraw/zinc/06/04/59/349060459.db2.gz QSUVMTVWUPBWDB-UHFFFAOYSA-N 1 1 260.724 3.403 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000618280002 349065037 /nfs/dbraw/zinc/06/50/37/349065037.db2.gz QJRJTSSCKSVUAR-OAHLLOKOSA-N 1 1 274.412 3.240 20 30 CGEDMO Cc1cc(C[N@H+]2CC[C@H](Cc3ccncc3)C2)ccc1C#N ZINC000618602880 349119543 /nfs/dbraw/zinc/11/95/43/349119543.db2.gz SJWVKAPNMSJBLA-GOSISDBHSA-N 1 1 291.398 3.326 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000618668730 349137984 /nfs/dbraw/zinc/13/79/84/349137984.db2.gz YCNQFUYFMYKAHA-AWEZNQCLSA-N 1 1 278.440 3.112 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@H](C2CC2)O1 ZINC000619283105 349227464 /nfs/dbraw/zinc/22/74/64/349227464.db2.gz QGPSCUGQKBSDKN-RDTXWAMCSA-N 1 1 298.430 3.487 20 30 CGEDMO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1cocn1 ZINC000619508562 349254624 /nfs/dbraw/zinc/25/46/24/349254624.db2.gz LQBSCIZBMUUJIT-MRXNPFEDSA-N 1 1 267.332 3.104 20 30 CGEDMO C=CC[N@H+](Cc1cccnc1C(F)(F)F)[C@H](C)COC ZINC000625530670 350181485 /nfs/dbraw/zinc/18/14/85/350181485.db2.gz RQFPILRHZRMRSS-LLVKDONJSA-N 1 1 288.313 3.123 20 30 CGEDMO C=CC[N@@H+](Cc1cccnc1C(F)(F)F)[C@H](C)COC ZINC000625530670 350181488 /nfs/dbraw/zinc/18/14/88/350181488.db2.gz RQFPILRHZRMRSS-LLVKDONJSA-N 1 1 288.313 3.123 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2nc(-c3ccc(C)cc3)no2)C1 ZINC000625699260 350197071 /nfs/dbraw/zinc/19/70/71/350197071.db2.gz CBKPUFMVWAKBMR-AWEZNQCLSA-N 1 1 283.375 3.443 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)C1 ZINC000625701575 350198383 /nfs/dbraw/zinc/19/83/83/350198383.db2.gz KSYWKJVCPYZTRO-AWEZNQCLSA-N 1 1 295.386 3.247 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2nc(CCC(C)C)no2)C1 ZINC000625701421 350199012 /nfs/dbraw/zinc/19/90/12/350199012.db2.gz RHPWSXXEEHSERM-CYBMUJFWSA-N 1 1 263.385 3.056 20 30 CGEDMO C=CC[C@H]1CC[N@H+](C[C@@H](OC)c2ccc(F)cc2)C1 ZINC000625703340 350199686 /nfs/dbraw/zinc/19/96/86/350199686.db2.gz SJSUERCWHQVMLI-XJKSGUPXSA-N 1 1 263.356 3.411 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(CO)ccc1F ZINC000625558659 350184145 /nfs/dbraw/zinc/18/41/45/350184145.db2.gz QMQJNHDWQZOICJ-GASCZTMLSA-N 1 1 261.340 3.001 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CCC(=O)c2ccc(F)cc2)C1 ZINC000625704113 350201127 /nfs/dbraw/zinc/20/11/27/350201127.db2.gz VQYKDQPSFGLASH-CYBMUJFWSA-N 1 1 261.340 3.297 20 30 CGEDMO C=CC[C@H]1CCN(C(=O)Nc2cc(C)c3[nH+]ccn3c2)C1 ZINC000626573253 350320192 /nfs/dbraw/zinc/32/01/92/350320192.db2.gz RAYWUNAKBDIGQN-ZDUSSCGKSA-N 1 1 284.363 3.073 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(C)o2)C1 ZINC000628405521 350528786 /nfs/dbraw/zinc/52/87/86/350528786.db2.gz NXLZPDKXRQRXLY-ZDUSSCGKSA-N 1 1 271.364 3.376 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000628406676 350529382 /nfs/dbraw/zinc/52/93/82/350529382.db2.gz OJVGSNHCWJZSNB-GFCCVEGCSA-N 1 1 262.422 3.420 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000628543641 350573231 /nfs/dbraw/zinc/57/32/31/350573231.db2.gz BBPKVTLQJLWEDZ-HNNXBMFYSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC(C)(C)C[NH2+]C1CCN(CC2CC2)CC1 ZINC000631680964 351117676 /nfs/dbraw/zinc/11/76/76/351117676.db2.gz SVIPPKHRMQKDAM-UHFFFAOYSA-N 1 1 264.457 3.443 20 30 CGEDMO C=CCOc1ccccc1CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732515 351578072 /nfs/dbraw/zinc/57/80/72/351578072.db2.gz IFUQQFHSZNLXEM-MRXNPFEDSA-N 1 1 288.435 3.119 20 30 CGEDMO C=C(Cl)C[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000271487322 191168506 /nfs/dbraw/zinc/16/85/06/191168506.db2.gz LGWBPZNUYYVFNN-GFCCVEGCSA-N 1 1 278.783 3.217 20 30 CGEDMO C#CC[C@@H]([NH2+]Cc1ccn(C(C)C)n1)c1ccccc1 ZINC000271653816 191260077 /nfs/dbraw/zinc/26/00/77/191260077.db2.gz BRFYTDXRCQFGRB-QGZVFWFLSA-N 1 1 267.376 3.318 20 30 CGEDMO CSC[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000292274807 198227429 /nfs/dbraw/zinc/22/74/29/198227429.db2.gz BHWFXTQLJGVNPK-ZDUSSCGKSA-N 1 1 260.406 3.133 20 30 CGEDMO COC[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000152631512 188033245 /nfs/dbraw/zinc/03/32/45/188033245.db2.gz GGCRBEIVPKUQSE-OAHLLOKOSA-N 1 1 277.795 3.050 20 30 CGEDMO C=C(C)C[NH+]1CCC(N[C@@H](C)c2cnn(C(C)C)c2)CC1 ZINC000153038781 188060265 /nfs/dbraw/zinc/06/02/65/188060265.db2.gz HOXKBUNWSUDQMA-HNNXBMFYSA-N 1 1 290.455 3.155 20 30 CGEDMO Cc1occc1C[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000156318686 188255276 /nfs/dbraw/zinc/25/52/76/188255276.db2.gz VEHCERAQYKIVHO-UHFFFAOYSA-N 1 1 257.308 3.211 20 30 CGEDMO Cc1occc1C[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000156318686 188255278 /nfs/dbraw/zinc/25/52/78/188255278.db2.gz VEHCERAQYKIVHO-UHFFFAOYSA-N 1 1 257.308 3.211 20 30 CGEDMO CSC[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000292550994 198329429 /nfs/dbraw/zinc/32/94/29/198329429.db2.gz YOMHZJSZMNTYDE-HNNXBMFYSA-N 1 1 260.406 3.133 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000271725161 191291179 /nfs/dbraw/zinc/29/11/79/191291179.db2.gz SIBUKFKDPYYNBQ-AWEZNQCLSA-N 1 1 267.376 3.074 20 30 CGEDMO C#CCC[N@H+]1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000271725161 191291181 /nfs/dbraw/zinc/29/11/81/191291181.db2.gz SIBUKFKDPYYNBQ-AWEZNQCLSA-N 1 1 267.376 3.074 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000271725161 191291184 /nfs/dbraw/zinc/29/11/84/191291184.db2.gz SIBUKFKDPYYNBQ-AWEZNQCLSA-N 1 1 267.376 3.074 20 30 CGEDMO C=CCC[C@@H]([NH2+]Cc1nonc1C)c1ccccc1 ZINC000271750139 191304380 /nfs/dbraw/zinc/30/43/80/191304380.db2.gz SEDARMABDHSAIF-CQSZACIVSA-N 1 1 257.337 3.175 20 30 CGEDMO C[C@H]1CCC(C)(C)[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000411812716 235082257 /nfs/dbraw/zinc/08/22/57/235082257.db2.gz ZNXQWDIERJAUOQ-ZDUSSCGKSA-N 1 1 285.391 3.150 20 30 CGEDMO N#Cc1cc(F)ccc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000161927393 283099421 /nfs/dbraw/zinc/09/94/21/283099421.db2.gz PZDJIPVWPYCFDD-ACJLOTCBSA-N 1 1 299.393 3.150 20 30 CGEDMO CCC[N@@H+](CC)C[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000353482665 283179562 /nfs/dbraw/zinc/17/95/62/283179562.db2.gz GAVHBCCICZRECT-HUUCEWRRSA-N 1 1 273.424 3.329 20 30 CGEDMO CCCN(CC)C[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000353482665 283179563 /nfs/dbraw/zinc/17/95/63/283179563.db2.gz GAVHBCCICZRECT-HUUCEWRRSA-N 1 1 273.424 3.329 20 30 CGEDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccccc1C#N ZINC000124224781 138374129 /nfs/dbraw/zinc/37/41/29/138374129.db2.gz QJUUGVVLUXMEMI-PBHICJAKSA-N 1 1 272.392 3.074 20 30 CGEDMO COC(=O)c1ccc([C@H](C)[N@H+](C)Cc2ccc(C#N)cc2)o1 ZINC000125285774 138380944 /nfs/dbraw/zinc/38/09/44/138380944.db2.gz ZBQPSLLTXUBJKP-LBPRGKRZSA-N 1 1 298.342 3.131 20 30 CGEDMO COC(=O)c1ccc([C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)o1 ZINC000125285774 138380945 /nfs/dbraw/zinc/38/09/45/138380945.db2.gz ZBQPSLLTXUBJKP-LBPRGKRZSA-N 1 1 298.342 3.131 20 30 CGEDMO CC(C)c1csc(C[NH2+]Cc2cc(C#N)cs2)n1 ZINC000125617262 138383710 /nfs/dbraw/zinc/38/37/10/138383710.db2.gz AXNNCYDUUUFSII-UHFFFAOYSA-N 1 1 277.418 3.489 20 30 CGEDMO N#Cc1cccc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000177627365 189060537 /nfs/dbraw/zinc/06/05/37/189060537.db2.gz FFJDNUKALBJQLF-OAHLLOKOSA-N 1 1 297.402 3.151 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000181481001 189297892 /nfs/dbraw/zinc/29/78/92/189297892.db2.gz VSDVEPABKJFIOH-JQFCIGGWSA-N 1 1 272.392 3.102 20 30 CGEDMO N#Cc1c(F)cccc1N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000301469296 201019500 /nfs/dbraw/zinc/01/95/00/201019500.db2.gz NTEANZANWOMDQR-AWEZNQCLSA-N 1 1 287.382 3.374 20 30 CGEDMO C[C@H](CCNc1cccc(C#N)n1)[N@@H+](C)Cc1ccccc1 ZINC000301478051 201021168 /nfs/dbraw/zinc/02/11/68/201021168.db2.gz PVKFIIHUAQCLLG-OAHLLOKOSA-N 1 1 294.402 3.276 20 30 CGEDMO COC[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccc(C)o1 ZINC000181848392 189307901 /nfs/dbraw/zinc/30/79/01/189307901.db2.gz GVZCMEFRRZRBLS-CZUORRHYSA-N 1 1 284.359 3.498 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1nc2sc(C)c(C)c2c(N)n1 ZINC000119637087 370693237 /nfs/dbraw/zinc/69/32/37/370693237.db2.gz RYFCWYBHFIGKGU-UHFFFAOYSA-N 1 1 290.436 3.288 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1nc2sc(C)c(C)c2c(N)n1 ZINC000119637087 370693243 /nfs/dbraw/zinc/69/32/43/370693243.db2.gz RYFCWYBHFIGKGU-UHFFFAOYSA-N 1 1 290.436 3.288 20 30 CGEDMO CC[N@H+]1CCCC[C@@H]1CNc1cc(C#N)nc2ccccc21 ZINC000301533704 201051726 /nfs/dbraw/zinc/05/17/26/201051726.db2.gz LACZDFSGNGKNJV-OAHLLOKOSA-N 1 1 294.402 3.393 20 30 CGEDMO CC[N@H+]1CCCC[C@H]1CNc1c(F)cc(C#N)cc1F ZINC000301573195 201075147 /nfs/dbraw/zinc/07/51/47/201075147.db2.gz YVBHHIMWUSPKJO-LBPRGKRZSA-N 1 1 279.334 3.123 20 30 CGEDMO C[C@H](C[N@@H+](C)Cc1cccc(C#N)c1)c1nccs1 ZINC000183924617 189371607 /nfs/dbraw/zinc/37/16/07/189371607.db2.gz OHNSXRSAPQOXJB-GFCCVEGCSA-N 1 1 271.389 3.250 20 30 CGEDMO C[C@@H](C[N@@H+](C)Cc1ccccc1C#N)c1nccs1 ZINC000183953900 189372695 /nfs/dbraw/zinc/37/26/95/189372695.db2.gz MXOLMHGWLZFOBG-LBPRGKRZSA-N 1 1 271.389 3.250 20 30 CGEDMO CC[N@@H+](CC1=CCCOC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000119875531 370717193 /nfs/dbraw/zinc/71/71/93/370717193.db2.gz KEGAUJSMGCSIRU-AWEZNQCLSA-N 1 1 270.376 3.288 20 30 CGEDMO CCC[N@H+](Cc1ccc(F)c(C#N)c1)C[C@H]1CCCCO1 ZINC000120358041 370761606 /nfs/dbraw/zinc/76/16/06/370761606.db2.gz OCUROKNDWDWPKV-MRXNPFEDSA-N 1 1 290.382 3.478 20 30 CGEDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191406660 189594632 /nfs/dbraw/zinc/59/46/32/189594632.db2.gz ALKCALITKFWOPQ-KDOFPFPSSA-N 1 1 279.387 3.275 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCSC3(CCC3)CC2)s1 ZINC000335640820 212356395 /nfs/dbraw/zinc/35/63/95/212356395.db2.gz AFRFRIKPWSSBJT-UHFFFAOYSA-N 1 1 278.446 3.481 20 30 CGEDMO CC(C)[C@H]1[N@@H+](Cc2ccc(C#N)s2)CC12CCOCC2 ZINC000335638903 212355042 /nfs/dbraw/zinc/35/50/42/212355042.db2.gz NBBCKPFRIHAACK-OAHLLOKOSA-N 1 1 290.432 3.257 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@]3(CCSC3)C2)cc1F ZINC000451963690 240387865 /nfs/dbraw/zinc/38/78/65/240387865.db2.gz HYGZDJAXDFWWGJ-INIZCTEOSA-N 1 1 290.407 3.416 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451966326 240389286 /nfs/dbraw/zinc/38/92/86/240389286.db2.gz OMCIMNIMPUJZFY-MRXNPFEDSA-N 1 1 290.407 3.416 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451966326 240389291 /nfs/dbraw/zinc/38/92/91/240389291.db2.gz OMCIMNIMPUJZFY-MRXNPFEDSA-N 1 1 290.407 3.416 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1[C@H](C)CCC1(C)C ZINC000452007962 240393663 /nfs/dbraw/zinc/39/36/63/240393663.db2.gz ODCDLJNEHNEQPZ-GFCCVEGCSA-N 1 1 258.365 3.330 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)cc1OC)C1CCCC1 ZINC000120640241 370787065 /nfs/dbraw/zinc/78/70/65/370787065.db2.gz IBZSLHHAQKWATN-UHFFFAOYSA-N 1 1 258.365 3.331 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000121378089 370855717 /nfs/dbraw/zinc/85/57/17/370855717.db2.gz FQNSWVHDUFXHEM-KRWDZBQOSA-N 1 1 288.435 3.046 20 30 CGEDMO C=CCC(CC=C)C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000121372548 370855910 /nfs/dbraw/zinc/85/59/10/370855910.db2.gz ZXQDVUWHUQGKBW-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C(C)C ZINC000121255095 370845145 /nfs/dbraw/zinc/84/51/45/370845145.db2.gz IWFWICPNLRZTGS-ZDUSSCGKSA-N 1 1 260.381 3.255 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C(C)C ZINC000121255095 370845148 /nfs/dbraw/zinc/84/51/48/370845148.db2.gz IWFWICPNLRZTGS-ZDUSSCGKSA-N 1 1 260.381 3.255 20 30 CGEDMO C=CC[N@@H+](C)CC(=O)N[C@H](C)c1cccc2ccccc21 ZINC000121253519 370845494 /nfs/dbraw/zinc/84/54/94/370845494.db2.gz DDBPNVDXGKJHGQ-CQSZACIVSA-N 1 1 282.387 3.135 20 30 CGEDMO C=CC[N@H+](C)CC(=O)N[C@H](C)c1cccc2ccccc21 ZINC000121253519 370845501 /nfs/dbraw/zinc/84/55/01/370845501.db2.gz DDBPNVDXGKJHGQ-CQSZACIVSA-N 1 1 282.387 3.135 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)C(=O)N[C@H](CCC)c1ccccc1 ZINC000121458011 370862529 /nfs/dbraw/zinc/86/25/29/370862529.db2.gz VVMVRWBSVRLPCD-GDBMZVCRSA-N 1 1 274.408 3.150 20 30 CGEDMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000459762659 242216723 /nfs/dbraw/zinc/21/67/23/242216723.db2.gz UCQGRVJDKYSWTG-GFCCVEGCSA-N 1 1 272.323 3.353 20 30 CGEDMO C[C@H]1[C@@H](Nc2ccc(C(F)(F)F)c(C#N)c2)CCC[N@H+]1C ZINC000463497108 242399727 /nfs/dbraw/zinc/39/97/27/242399727.db2.gz TWLPLFOIMCTXAP-HZMBPMFUSA-N 1 1 297.324 3.472 20 30 CGEDMO C=CC[N@@H+](C)[C@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000121611474 370878487 /nfs/dbraw/zinc/87/84/87/370878487.db2.gz VOQOJJHPZASGPE-CQSZACIVSA-N 1 1 260.381 3.057 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000121611474 370878489 /nfs/dbraw/zinc/87/84/89/370878489.db2.gz VOQOJJHPZASGPE-CQSZACIVSA-N 1 1 260.381 3.057 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)CCS1 ZINC000121590944 370876889 /nfs/dbraw/zinc/87/68/89/370876889.db2.gz KKVDVNLSIRZNSM-HNNXBMFYSA-N 1 1 278.396 3.271 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCc2sccc2[C@@H]1CC ZINC000122829702 370907571 /nfs/dbraw/zinc/90/75/71/370907571.db2.gz FQNLTCNOXGNFDZ-OCCSQVGLSA-N 1 1 265.422 3.384 20 30 CGEDMO C[C@@H](NCC1([NH+](C)C)CCCCC1)c1ccc(C#N)cc1 ZINC000020094559 368801812 /nfs/dbraw/zinc/80/18/12/368801812.db2.gz CDWFBSLHKRLLRF-OAHLLOKOSA-N 1 1 285.435 3.473 20 30 CGEDMO N#CCC[C@H](C#N)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000032514639 368934260 /nfs/dbraw/zinc/93/42/60/368934260.db2.gz BDWCCIQRVKPIRO-GOSISDBHSA-N 1 1 281.403 3.385 20 30 CGEDMO C[N@@H+](CCOc1cccc(C#N)c1)Cc1cccs1 ZINC000035717391 369004780 /nfs/dbraw/zinc/00/47/80/369004780.db2.gz MPJXRSZTBBNNGW-UHFFFAOYSA-N 1 1 272.373 3.131 20 30 CGEDMO C[C@H]([NH2+]CCC#N)c1ccc(Br)s1 ZINC000038002127 369137439 /nfs/dbraw/zinc/13/74/39/369137439.db2.gz LCWMNJQMPQGTSB-ZETCQYMHSA-N 1 1 259.172 3.075 20 30 CGEDMO CCC[N@@H+](CCOc1ccccc1C#N)CC1CC1 ZINC000048570551 369359545 /nfs/dbraw/zinc/35/95/45/369359545.db2.gz ZEEDULMOIYQCMX-UHFFFAOYSA-N 1 1 258.365 3.059 20 30 CGEDMO C=CCOc1ccc(CNC[C@H](C)[NH+](CC)CC)cc1 ZINC000128214775 370960364 /nfs/dbraw/zinc/96/03/64/370960364.db2.gz MENZRJNJRVUQHQ-HNNXBMFYSA-N 1 1 276.424 3.071 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000128304311 370960651 /nfs/dbraw/zinc/96/06/51/370960651.db2.gz RGPYFDHDFXOVPO-SFHVURJKSA-N 1 1 298.430 3.099 20 30 CGEDMO COc1ccc(C[N@@H+](CCC#N)[C@@H](C)C2CC2)cc1 ZINC000053097825 369478464 /nfs/dbraw/zinc/47/84/64/369478464.db2.gz TZXWALVRIOMNSN-ZDUSSCGKSA-N 1 1 258.365 3.209 20 30 CGEDMO CC(C)[N@@H+](C)CCNc1ccc(C(F)(F)F)cc1C#N ZINC000054134220 369495977 /nfs/dbraw/zinc/49/59/77/369495977.db2.gz PSVZHERPDIPGLH-UHFFFAOYSA-N 1 1 285.313 3.329 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000054182206 369497239 /nfs/dbraw/zinc/49/72/39/369497239.db2.gz XRJHDWNUEYWKBA-NSHDSACASA-N 1 1 254.280 3.070 20 30 CGEDMO C=CCOc1cccc(C[N@H+](C)Cc2cccn2C)c1 ZINC000129334684 370983432 /nfs/dbraw/zinc/98/34/32/370983432.db2.gz RXKUOQKTDMQJMI-UHFFFAOYSA-N 1 1 270.376 3.222 20 30 CGEDMO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H]2C2CCCC2)c1 ZINC000055928116 369523589 /nfs/dbraw/zinc/52/35/89/369523589.db2.gz ZYXDKLUMKRUIKU-QGZVFWFLSA-N 1 1 297.402 3.151 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000276340752 193293018 /nfs/dbraw/zinc/29/30/18/193293018.db2.gz CGEDRZIJCJQWAZ-GFCCVEGCSA-N 1 1 280.799 3.025 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000276358115 193298797 /nfs/dbraw/zinc/29/87/97/193298797.db2.gz FLZPDZNLKOPLIE-UHFFFAOYSA-N 1 1 271.360 3.418 20 30 CGEDMO C=CCC[N@H+](C)Cc1nc2ccccc2n1C(F)F ZINC000276404524 193317058 /nfs/dbraw/zinc/31/70/58/193317058.db2.gz LAJGYFMETYMBIG-UHFFFAOYSA-N 1 1 265.307 3.439 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](OCC(C)C)C2)cc1 ZINC000537725200 376197925 /nfs/dbraw/zinc/19/79/25/376197925.db2.gz SAQSFSGGDONGQV-GOSISDBHSA-N 1 1 289.419 3.498 20 30 CGEDMO COc1c(C)cnc(C[N@H+](C)Cc2ccc(C#N)cc2)c1C ZINC000067226844 369714300 /nfs/dbraw/zinc/71/43/00/369714300.db2.gz RAWBXGKORIQISW-UHFFFAOYSA-N 1 1 295.386 3.211 20 30 CGEDMO COc1c(C)cnc(C[N@@H+](C)Cc2ccc(C#N)cc2)c1C ZINC000067226844 369714305 /nfs/dbraw/zinc/71/43/05/369714305.db2.gz RAWBXGKORIQISW-UHFFFAOYSA-N 1 1 295.386 3.211 20 30 CGEDMO COc1c(C)c[nH+]c(CN(C)Cc2ccc(C#N)cc2)c1C ZINC000067226844 369714312 /nfs/dbraw/zinc/71/43/12/369714312.db2.gz RAWBXGKORIQISW-UHFFFAOYSA-N 1 1 295.386 3.211 20 30 CGEDMO CC[N@@H+](Cc1cccc(OC(C)C)c1)C[C@H](C)C#N ZINC000066425005 369693842 /nfs/dbraw/zinc/69/38/42/369693842.db2.gz PWYRKMKSKGJKHA-CQSZACIVSA-N 1 1 260.381 3.455 20 30 CGEDMO CC[N@H+](Cc1cccc(OC(C)C)c1)C[C@H](C)C#N ZINC000066425005 369693847 /nfs/dbraw/zinc/69/38/47/369693847.db2.gz PWYRKMKSKGJKHA-CQSZACIVSA-N 1 1 260.381 3.455 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000076801627 369942603 /nfs/dbraw/zinc/94/26/03/369942603.db2.gz ZBESUVHLRYAQLO-AWEZNQCLSA-N 1 1 293.411 3.378 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000076801702 369943459 /nfs/dbraw/zinc/94/34/59/369943459.db2.gz AOPJFSNIMRCPDT-CYBMUJFWSA-N 1 1 294.826 3.243 20 30 CGEDMO COc1ccc(C[N@@H+](C)CCc2ccccc2)cc1C#N ZINC000088194874 370031653 /nfs/dbraw/zinc/03/16/53/370031653.db2.gz ASBUYAWCAZFWPH-UHFFFAOYSA-N 1 1 280.371 3.241 20 30 CGEDMO C[C@H]1C[C@@H](Nc2cc(C#N)c3ccccc3n2)CC[N@H+]1C ZINC000090795401 370069745 /nfs/dbraw/zinc/06/97/45/370069745.db2.gz CFDIMVCUVOGHPL-JSGCOSHPSA-N 1 1 280.375 3.001 20 30 CGEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CCCC(C)(C)C#N ZINC000091081348 370071868 /nfs/dbraw/zinc/07/18/68/370071868.db2.gz JWZXDMAAJYACJO-CQSZACIVSA-N 1 1 274.412 3.493 20 30 CGEDMO COC(=O)c1ccc(C[N@@H+](C)CC(C)(C)CCC#N)cc1 ZINC000091830057 370076296 /nfs/dbraw/zinc/07/62/96/370076296.db2.gz VRBJZLVGJWZFFP-UHFFFAOYSA-N 1 1 288.391 3.235 20 30 CGEDMO CC[N@@H+](Cc1ccc(OC(C)C)c(OC)c1)C[C@H](C)C#N ZINC000091982584 370083139 /nfs/dbraw/zinc/08/31/39/370083139.db2.gz ZQAYOCIFVBXYEP-CQSZACIVSA-N 1 1 290.407 3.464 20 30 CGEDMO CC[N@H+](Cc1ccc(OC(C)C)c(OC)c1)C[C@H](C)C#N ZINC000091982584 370083146 /nfs/dbraw/zinc/08/31/46/370083146.db2.gz ZQAYOCIFVBXYEP-CQSZACIVSA-N 1 1 290.407 3.464 20 30 CGEDMO CC[N@@H+](Cc1cc(C)c(OC)c(C)c1)C[C@@H](C)C#N ZINC000091982966 370083936 /nfs/dbraw/zinc/08/39/36/370083936.db2.gz XJQJWMIGDKWFSD-LBPRGKRZSA-N 1 1 260.381 3.294 20 30 CGEDMO CC[N@H+](Cc1cc(C)c(OC)c(C)c1)C[C@@H](C)C#N ZINC000091982966 370083940 /nfs/dbraw/zinc/08/39/40/370083940.db2.gz XJQJWMIGDKWFSD-LBPRGKRZSA-N 1 1 260.381 3.294 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccc(CO)o1 ZINC000092505673 370098584 /nfs/dbraw/zinc/09/85/84/370098584.db2.gz DQCBPXQYTYKDRT-UHFFFAOYSA-N 1 1 271.360 3.003 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H](n3cccn3)C2)cc1 ZINC000092966993 370105806 /nfs/dbraw/zinc/10/58/06/370105806.db2.gz FLVQGHFNMCQSIS-KRWDZBQOSA-N 1 1 297.402 3.285 20 30 CGEDMO C[C@H](CC#N)[N@H+](C)Cc1cccc(-c2ccncc2)c1 ZINC000093090831 370108055 /nfs/dbraw/zinc/10/80/55/370108055.db2.gz LZPSNOZQZXRYRK-CQSZACIVSA-N 1 1 265.360 3.483 20 30 CGEDMO C[C@H](CC#N)[N@@H+](C)Cc1cccc(-c2ccncc2)c1 ZINC000093090831 370108059 /nfs/dbraw/zinc/10/80/59/370108059.db2.gz LZPSNOZQZXRYRK-CQSZACIVSA-N 1 1 265.360 3.483 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+](C)Cc1cccn1C ZINC000093584568 370142046 /nfs/dbraw/zinc/14/20/46/370142046.db2.gz DTGSZBPLZOZCBQ-UHFFFAOYSA-N 1 1 270.376 3.222 20 30 CGEDMO C=CCOc1ccccc1C[N@H+](C)Cc1cccn1C ZINC000093584568 370142053 /nfs/dbraw/zinc/14/20/53/370142053.db2.gz DTGSZBPLZOZCBQ-UHFFFAOYSA-N 1 1 270.376 3.222 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000098068902 370263036 /nfs/dbraw/zinc/26/30/36/370263036.db2.gz UKSNDVVQEZDRNV-UHFFFAOYSA-N 1 1 280.799 3.485 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000098068902 370263040 /nfs/dbraw/zinc/26/30/40/370263040.db2.gz UKSNDVVQEZDRNV-UHFFFAOYSA-N 1 1 280.799 3.485 20 30 CGEDMO C=CCNC(=O)C[N@@H+](C)[C@H](c1ccccc1Cl)C(C)C ZINC000113256721 370468218 /nfs/dbraw/zinc/46/82/18/370468218.db2.gz UMOAXUDWBHRESO-INIZCTEOSA-N 1 1 294.826 3.271 20 30 CGEDMO C=CCNC(=O)C[N@H+](C)[C@H](c1ccccc1Cl)C(C)C ZINC000113256721 370468222 /nfs/dbraw/zinc/46/82/22/370468222.db2.gz UMOAXUDWBHRESO-INIZCTEOSA-N 1 1 294.826 3.271 20 30 CGEDMO CC[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@H](C)C(C)C ZINC000112660115 370439564 /nfs/dbraw/zinc/43/95/64/370439564.db2.gz GLJXHWCVNICAOA-CQSZACIVSA-N 1 1 287.407 3.253 20 30 CGEDMO N#CCCCC[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000115559774 370534446 /nfs/dbraw/zinc/53/44/46/370534446.db2.gz SQOXJNKUEAPGLM-OAHLLOKOSA-N 1 1 260.406 3.470 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000129661888 370996464 /nfs/dbraw/zinc/99/64/64/370996464.db2.gz MGDIHZQGFRMZNQ-NVXWUHKLSA-N 1 1 277.383 3.017 20 30 CGEDMO CCOC[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000118399942 370613832 /nfs/dbraw/zinc/61/38/32/370613832.db2.gz FYGOQUOYCMPRCM-GOEBONIOSA-N 1 1 272.392 3.368 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000129968914 371008487 /nfs/dbraw/zinc/00/84/87/371008487.db2.gz OZCAGWOWOFUIJE-OAHLLOKOSA-N 1 1 287.403 3.252 20 30 CGEDMO C=CC[N@H+](Cc1cc(OC)ccc1OC)C(C)(C)C ZINC000132254876 371160704 /nfs/dbraw/zinc/16/07/04/371160704.db2.gz JDJZLOYOEVITMA-UHFFFAOYSA-N 1 1 263.381 3.490 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccccc1Br ZINC000132335905 371167440 /nfs/dbraw/zinc/16/74/40/371167440.db2.gz NVXZTNKGCIYORD-UHFFFAOYSA-N 1 1 254.171 3.457 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000132660517 371192005 /nfs/dbraw/zinc/19/20/05/371192005.db2.gz GUIDRUGRGVCACY-KFWWJZLASA-N 1 1 263.381 3.380 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000133173829 371233503 /nfs/dbraw/zinc/23/35/03/371233503.db2.gz VCYPFEQYVIKEKG-CQSZACIVSA-N 1 1 261.340 3.297 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000134470090 371339736 /nfs/dbraw/zinc/33/97/36/371339736.db2.gz CUNMSFFLJKPKIV-SNVBAGLBSA-N 1 1 288.338 3.365 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000135137031 371392968 /nfs/dbraw/zinc/39/29/68/371392968.db2.gz SQIVMEXVXBVHTA-KYJSFNMBSA-N 1 1 290.451 3.064 20 30 CGEDMO N#CC1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000135250192 371405901 /nfs/dbraw/zinc/40/59/01/371405901.db2.gz JWXSXUTVQYXLTE-CQSZACIVSA-N 1 1 299.201 3.262 20 30 CGEDMO C[C@H]1OCC[N@H+](Cc2ccccc2C(C)(C)C#N)[C@@H]1C ZINC000135292215 371410577 /nfs/dbraw/zinc/41/05/77/371410577.db2.gz WDBDHJFFMAUNGG-ZIAGYGMSSA-N 1 1 272.392 3.097 20 30 CGEDMO C[C@H]1OCC[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@@H]1C ZINC000135292215 371410579 /nfs/dbraw/zinc/41/05/79/371410579.db2.gz WDBDHJFFMAUNGG-ZIAGYGMSSA-N 1 1 272.392 3.097 20 30 CGEDMO C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CCC(F)(F)CC1 ZINC000286709848 371542270 /nfs/dbraw/zinc/54/22/70/371542270.db2.gz FLQUZSYJTNSAGH-OAHLLOKOSA-N 1 1 294.345 3.101 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1nc2ccccc2n1C ZINC000421885295 371697752 /nfs/dbraw/zinc/69/77/52/371697752.db2.gz RDCDUPFUHMAKOZ-NSHDSACASA-N 1 1 296.399 3.357 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCOC(C)(C)C1 ZINC000289693714 371794143 /nfs/dbraw/zinc/79/41/43/371794143.db2.gz GZZRQOMNYRRIIX-INIZCTEOSA-N 1 1 272.392 3.338 20 30 CGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC000344040314 217023070 /nfs/dbraw/zinc/02/30/70/217023070.db2.gz HFXNPLZGDKZAQW-ZIAGYGMSSA-N 1 1 299.418 3.253 20 30 CGEDMO C=CC[N@H+](C)CC1=Cc2cc(Br)ccc2OC1 ZINC000154795678 371880516 /nfs/dbraw/zinc/88/05/16/371880516.db2.gz JCFAOIUVRISRBP-UHFFFAOYSA-N 1 1 294.192 3.343 20 30 CGEDMO C#CC[N@@H+](CC(=O)Nc1ccccc1CC)C1CCCC1 ZINC000155885119 371950114 /nfs/dbraw/zinc/95/01/14/371950114.db2.gz RBLNQVPYJIKUKW-UHFFFAOYSA-N 1 1 284.403 3.065 20 30 CGEDMO C#CC[N@H+](CC(=O)Nc1ccccc1CC)C1CCCC1 ZINC000155885119 371950121 /nfs/dbraw/zinc/95/01/21/371950121.db2.gz RBLNQVPYJIKUKW-UHFFFAOYSA-N 1 1 284.403 3.065 20 30 CGEDMO CC[N@@H+](CCc1nccs1)Cc1ccc(C#N)cc1F ZINC000159216409 372118210 /nfs/dbraw/zinc/11/82/10/372118210.db2.gz LJYBFLNMCRWHNR-UHFFFAOYSA-N 1 1 289.379 3.218 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)cc1 ZINC000290992446 372089739 /nfs/dbraw/zinc/08/97/39/372089739.db2.gz ABBBVHMLAQIYHF-INIZCTEOSA-N 1 1 252.361 3.323 20 30 CGEDMO CCC[N@H+]1CC[C@H](CNc2nc(C)c(C#N)cc2Cl)C1 ZINC000291031551 372099818 /nfs/dbraw/zinc/09/98/18/372099818.db2.gz XFAIWTAONRDTSY-GFCCVEGCSA-N 1 1 292.814 3.059 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425545410 372132323 /nfs/dbraw/zinc/13/23/23/372132323.db2.gz FPMLKDMMHVSIFR-HZPDHXFCSA-N 1 1 295.810 3.040 20 30 CGEDMO C=C[C@H](CO)[NH2+][C@H](C)c1csc(-c2ccccc2F)n1 ZINC000291304435 372157222 /nfs/dbraw/zinc/15/72/22/372157222.db2.gz SQSOWJSTQNNQOP-GHMZBOCLSA-N 1 1 292.379 3.147 20 30 CGEDMO C=CCC(C)(C)C(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000292228907 372184163 /nfs/dbraw/zinc/18/41/63/372184163.db2.gz CPKXRVNHPCRREQ-UHFFFAOYSA-N 1 1 292.423 3.162 20 30 CGEDMO COc1ccc(F)c(C[NH2+]C2(c3cccc(C#N)c3)CC2)c1 ZINC000292755425 372202675 /nfs/dbraw/zinc/20/26/75/372202675.db2.gz BMESODYXLWLSNK-UHFFFAOYSA-N 1 1 296.345 3.485 20 30 CGEDMO N#Cc1cc(C[NH+]2CCN(c3ccccc3)CC2)ccc1F ZINC000160469494 372250088 /nfs/dbraw/zinc/25/00/88/372250088.db2.gz JNIPDMGUSUBXPV-UHFFFAOYSA-N 1 1 295.361 3.020 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000429023133 372305894 /nfs/dbraw/zinc/30/58/94/372305894.db2.gz VAEUKDLGOMIOBL-VVLHAWIVSA-N 1 1 264.457 3.393 20 30 CGEDMO C[C@@H]1CC[C@H]([N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000429580208 372375568 /nfs/dbraw/zinc/37/55/68/372375568.db2.gz TVTMAGWZNNIHPQ-WBVHZDCISA-N 1 1 299.418 3.054 20 30 CGEDMO C[N@@H+](CCc1ccccn1)Cc1ccc(C#N)cc1Cl ZINC000162861328 372428602 /nfs/dbraw/zinc/42/86/02/372428602.db2.gz SPJHDLQUMRUUOH-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+](CC)C1CCCCC1 ZINC000052873360 541876581 /nfs/dbraw/zinc/87/65/81/541876581.db2.gz XEOVHTKSGGSQMT-UHFFFAOYSA-N 1 1 266.429 3.066 20 30 CGEDMO O[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C12CCCC2 ZINC000433034970 372577392 /nfs/dbraw/zinc/57/73/92/372577392.db2.gz VFLVCOXQRIJNIJ-MRXNPFEDSA-N 1 1 289.806 3.071 20 30 CGEDMO CCCc1nc(CO[NH+]=C(N)C2CCCC2)cs1 ZINC000170641542 372645500 /nfs/dbraw/zinc/64/55/00/372645500.db2.gz WHUSIPWIKZCZPK-UHFFFAOYSA-N 1 1 267.398 3.075 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@H](SC)C2)c1 ZINC000294941974 372679655 /nfs/dbraw/zinc/67/96/55/372679655.db2.gz CHJQESQRFSXIPB-HNNXBMFYSA-N 1 1 263.406 3.189 20 30 CGEDMO C[N@H+]1CCC[C@@]2(CCN(c3cccc(Cl)c3C#N)C2)C1 ZINC000294967752 372682163 /nfs/dbraw/zinc/68/21/63/372682163.db2.gz OAYZOYLTENCPTL-MRXNPFEDSA-N 1 1 289.810 3.134 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000434898073 372715330 /nfs/dbraw/zinc/71/53/30/372715330.db2.gz AXLRFYZQGFOFNU-AEFFLSMTSA-N 1 1 298.430 3.065 20 30 CGEDMO CCC[C@H](O)C[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000295558768 372825312 /nfs/dbraw/zinc/82/53/12/372825312.db2.gz QBIUNYVVUKIFJG-CJNGLKHVSA-N 1 1 260.381 3.102 20 30 CGEDMO COc1cccc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000171859756 372840541 /nfs/dbraw/zinc/84/05/41/372840541.db2.gz CTIXBINLBUOJSF-UHFFFAOYSA-N 1 1 293.370 3.126 20 30 CGEDMO COc1cccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000171859756 372840548 /nfs/dbraw/zinc/84/05/48/372840548.db2.gz CTIXBINLBUOJSF-UHFFFAOYSA-N 1 1 293.370 3.126 20 30 CGEDMO COc1cccc(C2CC[NH+](C[C@@H](C#N)CCC#N)CC2)c1 ZINC000171988695 372877579 /nfs/dbraw/zinc/87/75/79/372877579.db2.gz LTZRNSHWQFTEFP-OAHLLOKOSA-N 1 1 297.402 3.318 20 30 CGEDMO CCC[N@@H+](CC)C[C@@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000353479381 220106343 /nfs/dbraw/zinc/10/63/43/220106343.db2.gz AKCNWKZZMONFRC-HUUCEWRRSA-N 1 1 273.424 3.329 20 30 CGEDMO CCCN(CC)C[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000353479381 220106346 /nfs/dbraw/zinc/10/63/46/220106346.db2.gz AKCNWKZZMONFRC-HUUCEWRRSA-N 1 1 273.424 3.329 20 30 CGEDMO C=CCCN(C)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000438150627 372899963 /nfs/dbraw/zinc/89/99/63/372899963.db2.gz FNMFINCKCQRRQA-MRXNPFEDSA-N 1 1 293.455 3.001 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+](C)CCCSC)c1C ZINC000439472659 372978928 /nfs/dbraw/zinc/97/89/28/372978928.db2.gz TXPWWHFOZBOQQW-UHFFFAOYSA-N 1 1 294.464 3.159 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@H+](C)CCCSC)c1C ZINC000439472659 372978936 /nfs/dbraw/zinc/97/89/36/372978936.db2.gz TXPWWHFOZBOQQW-UHFFFAOYSA-N 1 1 294.464 3.159 20 30 CGEDMO C=CCCCCC[N@@H+](C)Cc1nc(C(C)C)no1 ZINC000172654585 373005907 /nfs/dbraw/zinc/00/59/07/373005907.db2.gz JLOYYQCAPCMTPK-UHFFFAOYSA-N 1 1 251.374 3.371 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1nc(C(C)C)no1 ZINC000172654585 373005912 /nfs/dbraw/zinc/00/59/12/373005912.db2.gz JLOYYQCAPCMTPK-UHFFFAOYSA-N 1 1 251.374 3.371 20 30 CGEDMO C[N@H+](Cc1cc(C#N)ccc1F)[C@@H](CCO)c1ccccc1 ZINC000441410537 373009057 /nfs/dbraw/zinc/00/90/57/373009057.db2.gz DQKYPFKQEUXHKB-SFHVURJKSA-N 1 1 298.361 3.253 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)ccc1F)[C@@H](CCO)c1ccccc1 ZINC000441410537 373009062 /nfs/dbraw/zinc/00/90/62/373009062.db2.gz DQKYPFKQEUXHKB-SFHVURJKSA-N 1 1 298.361 3.253 20 30 CGEDMO CCC(C)(C)[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000441632090 373031009 /nfs/dbraw/zinc/03/10/09/373031009.db2.gz GLVCYOFUAGQFFX-MRXNPFEDSA-N 1 1 299.418 3.397 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@H]2C2CCC2)ccc1C#N ZINC000442883521 373117518 /nfs/dbraw/zinc/11/75/18/373117518.db2.gz HLHFNMNPHXMJPK-INIZCTEOSA-N 1 1 270.376 3.331 20 30 CGEDMO CCC(CC)[C@H](CN[C@H]1CC[C@@H](C#N)C1)[NH+]1CCCC1 ZINC000442723326 373070448 /nfs/dbraw/zinc/07/04/48/373070448.db2.gz WULRNNPMVCCWCE-PVAVHDDUSA-N 1 1 277.456 3.169 20 30 CGEDMO CCC(CC)[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)N1CCCC1 ZINC000442723326 373070456 /nfs/dbraw/zinc/07/04/56/373070456.db2.gz WULRNNPMVCCWCE-PVAVHDDUSA-N 1 1 277.456 3.169 20 30 CGEDMO CC[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)CC(C)C ZINC000173520478 373151952 /nfs/dbraw/zinc/15/19/52/373151952.db2.gz KCYDJDFRZORZEN-UHFFFAOYSA-N 1 1 284.363 3.086 20 30 CGEDMO COc1cc(C[N@@H+](C)[C@@H]2CC[C@@H](C)C2)ccc1C#N ZINC000443062628 373147790 /nfs/dbraw/zinc/14/77/90/373147790.db2.gz LYEQHCFHHOYMFJ-IUODEOHRSA-N 1 1 258.365 3.187 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C)cc1 ZINC000443063161 373148320 /nfs/dbraw/zinc/14/83/20/373148320.db2.gz CSPOSGUAHRLHCW-WMLDXEAASA-N 1 1 275.392 3.251 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C)cc1 ZINC000443063160 373148908 /nfs/dbraw/zinc/14/89/08/373148908.db2.gz CSPOSGUAHRLHCW-RHSMWYFYSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CC[C@@H]1[N@H+](CC(=O)NC2CCCC2)CCCC1(C)C ZINC000444776978 373271893 /nfs/dbraw/zinc/27/18/93/373271893.db2.gz QTOGQJBEOKEVCL-HNNXBMFYSA-N 1 1 278.440 3.112 20 30 CGEDMO CCN1C[C@H](C)[N@@H+](CCCCC(C)(C)C#N)C[C@@H]1C ZINC000444670936 373229369 /nfs/dbraw/zinc/22/93/69/373229369.db2.gz BTNNBVHTCOEQCI-GJZGRUSLSA-N 1 1 265.445 3.121 20 30 CGEDMO CC[N@@H+]1C[C@H](C)N(CCCCC(C)(C)C#N)C[C@@H]1C ZINC000444670936 373229374 /nfs/dbraw/zinc/22/93/74/373229374.db2.gz BTNNBVHTCOEQCI-GJZGRUSLSA-N 1 1 265.445 3.121 20 30 CGEDMO CC[N@H+]1C[C@H](C)N(CCCCC(C)(C)C#N)C[C@@H]1C ZINC000444670936 373229382 /nfs/dbraw/zinc/22/93/82/373229382.db2.gz BTNNBVHTCOEQCI-GJZGRUSLSA-N 1 1 265.445 3.121 20 30 CGEDMO C=CC[C@@H]1[N@@H+](CC(=O)Nc2nccs2)CCCC1(C)C ZINC000444793281 373277836 /nfs/dbraw/zinc/27/78/36/373277836.db2.gz RPHRIONNVIOSPN-LBPRGKRZSA-N 1 1 293.436 3.148 20 30 CGEDMO C=CC[C@@H]1[N@H+](CC(=O)Nc2nccs2)CCCC1(C)C ZINC000444793281 373277847 /nfs/dbraw/zinc/27/78/47/373277847.db2.gz RPHRIONNVIOSPN-LBPRGKRZSA-N 1 1 293.436 3.148 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1cc(Cl)c(O)c(OCC)c1 ZINC000297351775 373267428 /nfs/dbraw/zinc/26/74/28/373267428.db2.gz FFKOIXMWMOMTAM-UHFFFAOYSA-N 1 1 276.163 3.286 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000445292984 373308844 /nfs/dbraw/zinc/30/88/44/373308844.db2.gz GHGHRYHZNGMOSS-UHFFFAOYSA-N 1 1 278.362 3.301 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@H](C)[C@@H](C)O1 ZINC000446078959 373319238 /nfs/dbraw/zinc/31/92/38/373319238.db2.gz NPOPZXXXVZUPQC-RBSFLKMASA-N 1 1 286.419 3.485 20 30 CGEDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000447396375 373433317 /nfs/dbraw/zinc/43/33/17/373433317.db2.gz LTLHTQYUNCECPN-KRWDZBQOSA-N 1 1 290.382 3.478 20 30 CGEDMO CC[N@@H+](CCCCCCO)[C@@H](C)c1ccc(C#N)cc1 ZINC000175751173 373514821 /nfs/dbraw/zinc/51/48/21/373514821.db2.gz HAPLFQJYJNPHNP-HNNXBMFYSA-N 1 1 274.408 3.494 20 30 CGEDMO C[C@H](CNc1ccc(C#N)cc1)[N@H+]1CCc2ccccc2C1 ZINC000301100714 373661288 /nfs/dbraw/zinc/66/12/88/373661288.db2.gz PWQUPANAEFYWBE-OAHLLOKOSA-N 1 1 291.398 3.417 20 30 CGEDMO C=CC[N@H+](CCOC)C[C@@H](C)c1cc(F)cc(F)c1 ZINC000449283106 373677043 /nfs/dbraw/zinc/67/70/43/373677043.db2.gz JZGXCIMTXNXQBM-GFCCVEGCSA-N 1 1 269.335 3.203 20 30 CGEDMO C[C@H](C[NH+]1CCC(F)(C#N)CC1)c1cc(F)cc(F)c1 ZINC000449314749 373678555 /nfs/dbraw/zinc/67/85/55/373678555.db2.gz FAJCYEIEGCTROT-LLVKDONJSA-N 1 1 282.309 3.396 20 30 CGEDMO C=CCc1cc(C[N@H+]2CC[C@H]2C2CC2)cc(OC)c1O ZINC000449427840 373703901 /nfs/dbraw/zinc/70/39/01/373703901.db2.gz PYOGEWLKYWAVCV-HNNXBMFYSA-N 1 1 273.376 3.114 20 30 CGEDMO C[C@@]1(O)CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000178005059 373734943 /nfs/dbraw/zinc/73/49/43/373734943.db2.gz KTDHFCHFRULKLN-LJQANCHMSA-N 1 1 292.382 3.182 20 30 CGEDMO C=CCO[C@H]1CCN(c2cc(C)[nH+]c3c(OC)cccc23)C1 ZINC000302194383 373827223 /nfs/dbraw/zinc/82/72/23/373827223.db2.gz WWBOHAPXKUWACH-AWEZNQCLSA-N 1 1 298.386 3.333 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]1c1cccn1C ZINC000178495660 373784128 /nfs/dbraw/zinc/78/41/28/373784128.db2.gz XSQMBVRZLJHIBN-KRWDZBQOSA-N 1 1 295.386 3.242 20 30 CGEDMO CN(CC[N@@H+](C)C1CC1)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000302245409 373842917 /nfs/dbraw/zinc/84/29/17/373842917.db2.gz KNFCIKAPRVSZJU-UHFFFAOYSA-N 1 1 297.324 3.107 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1c1cccn1C ZINC000179663386 373901416 /nfs/dbraw/zinc/90/14/16/373901416.db2.gz GERFCAMMMHBWQY-KRWDZBQOSA-N 1 1 295.386 3.242 20 30 CGEDMO CCC(CC)C[N@H+](CCC#N)Cc1cccc2nccn21 ZINC000180059543 373961837 /nfs/dbraw/zinc/96/18/37/373961837.db2.gz FFRSQOZEFKAYIW-UHFFFAOYSA-N 1 1 284.407 3.486 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)Cc1cccc2nccn21 ZINC000180059543 373961844 /nfs/dbraw/zinc/96/18/44/373961844.db2.gz FFRSQOZEFKAYIW-UHFFFAOYSA-N 1 1 284.407 3.486 20 30 CGEDMO C=CCCC[C@@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000179785583 373917749 /nfs/dbraw/zinc/91/77/49/373917749.db2.gz DKPDSYIDUQXUJA-ZBFHGGJFSA-N 1 1 274.408 3.150 20 30 CGEDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2ccc(C#N)s2)C1(C)C ZINC000180251992 373982330 /nfs/dbraw/zinc/98/23/30/373982330.db2.gz UAGJZUYTNHWFHN-HIFRSBDPSA-N 1 1 278.421 3.255 20 30 CGEDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@@]3(C#N)C[C@H]3C)c2C1 ZINC000450273969 374033419 /nfs/dbraw/zinc/03/34/19/374033419.db2.gz FBJKOCMCDWMEOA-FZKQIMNGSA-N 1 1 297.402 3.146 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1OC ZINC000305091440 374065717 /nfs/dbraw/zinc/06/57/17/374065717.db2.gz PUGXKIFEDITWFQ-HOCLYGCPSA-N 1 1 275.392 3.159 20 30 CGEDMO C[N@@H+](CC1(C#N)CCC1)[C@H]1CCc2ccccc2C1 ZINC000450412634 374112247 /nfs/dbraw/zinc/11/22/47/374112247.db2.gz REBATRSIJZIFFZ-INIZCTEOSA-N 1 1 254.377 3.170 20 30 CGEDMO C[C@H]1C[C@@H](N[C@@H](CCC#N)c2ccccc2)CC[N@H+]1C ZINC000181574828 374142369 /nfs/dbraw/zinc/14/23/69/374142369.db2.gz JQMIHSWCZRFBMK-XIRDDKMYSA-N 1 1 271.408 3.104 20 30 CGEDMO CC[N@@H+](Cc1cnoc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000181655060 374151939 /nfs/dbraw/zinc/15/19/39/374151939.db2.gz BPTVSNADQHJJIB-LBPRGKRZSA-N 1 1 269.348 3.438 20 30 CGEDMO C[C@@H]1CCC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000315024591 374325405 /nfs/dbraw/zinc/32/54/05/374325405.db2.gz UNEKGZFMFBWZFU-RHSMWYFYSA-N 1 1 299.418 3.397 20 30 CGEDMO CCC1(CC)CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000316692322 374335963 /nfs/dbraw/zinc/33/59/63/374335963.db2.gz JHMHWRZIRXTBDR-UHFFFAOYSA-N 1 1 299.418 3.399 20 30 CGEDMO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000319638318 374347889 /nfs/dbraw/zinc/34/78/89/374347889.db2.gz OKURTZRXMQKHKG-ILXRZTDVSA-N 1 1 299.418 3.253 20 30 CGEDMO C=CCC[N@H+](CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000183769524 374453266 /nfs/dbraw/zinc/45/32/66/374453266.db2.gz LVEQGOVJZQYIPK-KRWDZBQOSA-N 1 1 258.409 3.159 20 30 CGEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C(C)(C)C1 ZINC000330976618 374494383 /nfs/dbraw/zinc/49/43/83/374494383.db2.gz FMLDTCMQOMLGHL-CYBMUJFWSA-N 1 1 285.391 3.007 20 30 CGEDMO CC[C@H]1[C@@H](C)CC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000331100076 374505169 /nfs/dbraw/zinc/50/51/69/374505169.db2.gz CRTACZZFOUOSKH-BBRMVZONSA-N 1 1 285.391 3.007 20 30 CGEDMO Cn1c2ccc(F)cc2[nH+]c1NCc1cccc(C#N)c1 ZINC000184253484 374507627 /nfs/dbraw/zinc/50/76/27/374507627.db2.gz MPNRKDHZCAYGDB-UHFFFAOYSA-N 1 1 280.306 3.196 20 30 CGEDMO CC[C@H]1[C@H](C)CC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000185634780 374702949 /nfs/dbraw/zinc/70/29/49/374702949.db2.gz FQTIBNAEGPHRSF-YPMHNXCESA-N 1 1 291.420 3.069 20 30 CGEDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1ccc(C#N)cc1OC ZINC000185656434 374706301 /nfs/dbraw/zinc/70/63/01/374706301.db2.gz LRLFIAWXXITMRB-WFASDCNBSA-N 1 1 258.365 3.187 20 30 CGEDMO N#C[C@H]1CCC[C@H](N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000185752556 374729534 /nfs/dbraw/zinc/72/95/34/374729534.db2.gz JOVBJMINIJTDKI-YTQUADARSA-N 1 1 297.446 3.495 20 30 CGEDMO CO[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)CC[C@@H]1C ZINC000467284193 374974764 /nfs/dbraw/zinc/97/47/64/374974764.db2.gz ORKKYQSBCWIOCN-XJKSGUPXSA-N 1 1 277.795 3.048 20 30 CGEDMO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)CC[C@@H]1C ZINC000467284193 374974768 /nfs/dbraw/zinc/97/47/68/374974768.db2.gz ORKKYQSBCWIOCN-XJKSGUPXSA-N 1 1 277.795 3.048 20 30 CGEDMO C=CCOCCC[N@H+](C)[C@H](C)Cc1ccccc1C ZINC000470871434 375001866 /nfs/dbraw/zinc/00/18/66/375001866.db2.gz DAVLBPVSJIVIPA-MRXNPFEDSA-N 1 1 261.409 3.451 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@@H](c2ccc(C)cc2C)C1 ZINC000471015826 375003686 /nfs/dbraw/zinc/00/36/86/375003686.db2.gz AFLBCWCSBPTSEF-SJORKVTESA-N 1 1 273.420 3.420 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000472753749 375034310 /nfs/dbraw/zinc/03/43/10/375034310.db2.gz PVQDXQFBIXHLQJ-MSOLQXFVSA-N 1 1 273.420 3.268 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000472777917 375034326 /nfs/dbraw/zinc/03/43/26/375034326.db2.gz VBACEGQLDHNFFX-HZPDHXFCSA-N 1 1 251.414 3.358 20 30 CGEDMO C=CCCCCNC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000472838872 375037420 /nfs/dbraw/zinc/03/74/20/375037420.db2.gz XBBNYBODAVUUCU-OAHLLOKOSA-N 1 1 295.471 3.152 20 30 CGEDMO CCOC[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000187115024 374973412 /nfs/dbraw/zinc/97/34/12/374973412.db2.gz RZDZLMZLDDBEKZ-GFCCVEGCSA-N 1 1 278.783 3.070 20 30 CGEDMO CCOC[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000187115024 374973422 /nfs/dbraw/zinc/97/34/22/374973422.db2.gz RZDZLMZLDDBEKZ-GFCCVEGCSA-N 1 1 278.783 3.070 20 30 CGEDMO C[N@H+](CC#Cc1ccccc1)C[C@@H]1OCCc2ccccc21 ZINC000483569323 375183734 /nfs/dbraw/zinc/18/37/34/375183734.db2.gz UPYSTGUXLVTYDB-FQEVSTJZSA-N 1 1 291.394 3.284 20 30 CGEDMO C[N@@H+](CC#Cc1ccccc1)C[C@@H]1OCCc2ccccc21 ZINC000483569323 375183739 /nfs/dbraw/zinc/18/37/39/375183739.db2.gz UPYSTGUXLVTYDB-FQEVSTJZSA-N 1 1 291.394 3.284 20 30 CGEDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)CC#Cc1ccccc1 ZINC000483980826 375185182 /nfs/dbraw/zinc/18/51/82/375185182.db2.gz PJKVYSKXLIPGLR-HXUWFJFHSA-N 1 1 293.410 3.228 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cccnc2)s1 ZINC000335149157 375176611 /nfs/dbraw/zinc/17/66/11/375176611.db2.gz IKJIWZPGVJKCOA-OAHLLOKOSA-N 1 1 269.373 3.352 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2)s1 ZINC000335149157 375176614 /nfs/dbraw/zinc/17/66/14/375176614.db2.gz IKJIWZPGVJKCOA-OAHLLOKOSA-N 1 1 269.373 3.352 20 30 CGEDMO C=CC[N@@H+](C/C=C\c1ccc(Cl)cc1)CCOC ZINC000483425320 375181392 /nfs/dbraw/zinc/18/13/92/375181392.db2.gz IEWIYKJLFWNINQ-PLNGDYQASA-N 1 1 265.784 3.488 20 30 CGEDMO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000487379375 375234488 /nfs/dbraw/zinc/23/44/88/375234488.db2.gz NMRRRIRKBPBKKO-HOCLYGCPSA-N 1 1 286.419 3.487 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c1 ZINC000335424606 375283556 /nfs/dbraw/zinc/28/35/56/375283556.db2.gz NWAHKQWUJQOILJ-UKRRQHHQSA-N 1 1 276.405 3.011 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c1 ZINC000335248540 375256945 /nfs/dbraw/zinc/25/69/45/375256945.db2.gz JPPKWHDTBVHMTN-SJLPKXTDSA-N 1 1 296.345 3.005 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c1 ZINC000335248540 375256954 /nfs/dbraw/zinc/25/69/54/375256954.db2.gz JPPKWHDTBVHMTN-SJLPKXTDSA-N 1 1 296.345 3.005 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000335592177 375333631 /nfs/dbraw/zinc/33/36/31/375333631.db2.gz RUJLUOBCGUVIGN-LJQANCHMSA-N 1 1 298.430 3.490 20 30 CGEDMO C[N@@H+](CCCCC#N)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000493053942 375460358 /nfs/dbraw/zinc/46/03/58/375460358.db2.gz QCIJCJAGQHNEHB-UHFFFAOYSA-N 1 1 297.443 3.163 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000495749389 375501775 /nfs/dbraw/zinc/50/17/75/375501775.db2.gz XCDDOIDESXRFRG-KGLIPLIRSA-N 1 1 282.428 3.188 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000495746578 375502497 /nfs/dbraw/zinc/50/24/97/375502497.db2.gz MXPDPUXRWNWRFZ-ZIAGYGMSSA-N 1 1 282.428 3.188 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000496822008 375558205 /nfs/dbraw/zinc/55/82/05/375558205.db2.gz RAQBRBPPDVWKSL-GOEBONIOSA-N 1 1 286.375 3.052 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000496820966 375558994 /nfs/dbraw/zinc/55/89/94/375558994.db2.gz QBZBKZGRNLWPOH-AWEZNQCLSA-N 1 1 282.428 3.189 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2cccnc2)cc1F ZINC000335959113 375572610 /nfs/dbraw/zinc/57/26/10/375572610.db2.gz KRNQIBYBBCYPSX-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2cccnc2)cc1F ZINC000335959113 375572615 /nfs/dbraw/zinc/57/26/15/375572615.db2.gz KRNQIBYBBCYPSX-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccc(C(F)F)cc1 ZINC000191083124 375573035 /nfs/dbraw/zinc/57/30/35/375573035.db2.gz DOBXXJAJMPZLIO-UHFFFAOYSA-N 1 1 255.308 3.259 20 30 CGEDMO C[C@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191358580 375617565 /nfs/dbraw/zinc/61/75/65/375617565.db2.gz RZJYHPAHLLTBFC-NOLJZWGESA-N 1 1 257.381 3.050 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@@]3(CC=CCC3)C2)cc1C#N ZINC000191368248 375619103 /nfs/dbraw/zinc/61/91/03/375619103.db2.gz GKYUFVQRPSDOLR-KRWDZBQOSA-N 1 1 269.392 3.219 20 30 CGEDMO CCC[C@@]1(C)CCC[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000191379901 375619875 /nfs/dbraw/zinc/61/98/75/375619875.db2.gz XLUAFMKLTKXERS-INIZCTEOSA-N 1 1 259.397 3.299 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cc(C#N)n(C)c2)[C@H](c2ccco2)C1 ZINC000191422875 375626081 /nfs/dbraw/zinc/62/60/81/375626081.db2.gz BSADEYZHFYHENL-CJNGLKHVSA-N 1 1 283.375 3.463 20 30 CGEDMO CCC[C@@H](C)[C@@H]1CCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191430882 375627506 /nfs/dbraw/zinc/62/75/06/375627506.db2.gz UVCRFHYQCWFNNR-CJNGLKHVSA-N 1 1 259.397 3.297 20 30 CGEDMO CC(C)Oc1cccc(C[N@@H+](C)Cc2cc(C#N)n(C)c2)c1 ZINC000191431625 375627771 /nfs/dbraw/zinc/62/77/71/375627771.db2.gz YXRNFHDJIFDADU-UHFFFAOYSA-N 1 1 297.402 3.316 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC=C(c3ccncc3)C2)s1 ZINC000335998324 375605030 /nfs/dbraw/zinc/60/50/30/375605030.db2.gz QZSPJCUAJHTVQI-UHFFFAOYSA-N 1 1 281.384 3.304 20 30 CGEDMO CC#CC[N@H+](CCC)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502921253 375648535 /nfs/dbraw/zinc/64/85/35/375648535.db2.gz VQZNJOLCBBOOTF-HNNXBMFYSA-N 1 1 272.392 3.139 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2C[C@@H](C)OC[C@H]2CC)cc1 ZINC000505610918 375659615 /nfs/dbraw/zinc/65/96/15/375659615.db2.gz LGERMYGZFFDRPD-GDBMZVCRSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CC[N@@H+](CCOC)Cc1cnc(C2CCCC2)s1 ZINC000191763736 375660683 /nfs/dbraw/zinc/66/06/83/375660683.db2.gz LUSIAZFOIKTFMK-UHFFFAOYSA-N 1 1 280.437 3.435 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cnc(C2CCCC2)s1 ZINC000191763736 375660693 /nfs/dbraw/zinc/66/06/93/375660693.db2.gz LUSIAZFOIKTFMK-UHFFFAOYSA-N 1 1 280.437 3.435 20 30 CGEDMO C=C(Br)C[NH+]1CCC(c2ccncc2)CC1 ZINC000191610952 375643555 /nfs/dbraw/zinc/64/35/55/375643555.db2.gz MAGGUSWSTDASRO-UHFFFAOYSA-N 1 1 281.197 3.170 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000505884229 375663311 /nfs/dbraw/zinc/66/33/11/375663311.db2.gz HBHRNUCSJJFZAX-IZGBJUCLSA-N 1 1 271.404 3.491 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2C2CCC2)cc1F ZINC000191989879 375687756 /nfs/dbraw/zinc/68/77/56/375687756.db2.gz PUXJHXACFYCPGQ-MRXNPFEDSA-N 1 1 258.340 3.462 20 30 CGEDMO C=CCNC(=O)C[N@H+](C)Cc1ccccc1-c1ccccc1 ZINC000507231186 375691075 /nfs/dbraw/zinc/69/10/75/375691075.db2.gz LJDZDDIKZQFOKA-UHFFFAOYSA-N 1 1 294.398 3.088 20 30 CGEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC000192137254 375703212 /nfs/dbraw/zinc/70/32/12/375703212.db2.gz SZRVYUGEEHYEQH-KRWDZBQOSA-N 1 1 279.387 3.215 20 30 CGEDMO C[C@H](c1ccncc1)[N@H+](C)CC#Cc1ccccc1 ZINC000192135237 375703308 /nfs/dbraw/zinc/70/33/08/375703308.db2.gz MWFVWALQOGOXDR-OAHLLOKOSA-N 1 1 250.345 3.126 20 30 CGEDMO C[C@H](c1ccncc1)[N@@H+](C)CC#Cc1ccccc1 ZINC000192135237 375703313 /nfs/dbraw/zinc/70/33/13/375703313.db2.gz MWFVWALQOGOXDR-OAHLLOKOSA-N 1 1 250.345 3.126 20 30 CGEDMO C[C@H](NCC#Cc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000192178611 375707889 /nfs/dbraw/zinc/70/78/89/375707889.db2.gz XOHCWJIHICVNNA-PKOBYXMFSA-N 1 1 296.458 3.281 20 30 CGEDMO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1nnc2ccccn21 ZINC000192738754 375784765 /nfs/dbraw/zinc/78/47/65/375784765.db2.gz SIRXAGKRTOPKGL-STQMWFEESA-N 1 1 291.358 3.013 20 30 CGEDMO C=C(C)CC[N@H+](Cc1ccc(OC)cc1)[C@H](CO)C(C)C ZINC000508968401 375765540 /nfs/dbraw/zinc/76/55/40/375765540.db2.gz PYXNQBHVFOFJLF-GOSISDBHSA-N 1 1 291.435 3.480 20 30 CGEDMO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1nnc2ccccn21 ZINC000192982433 375812088 /nfs/dbraw/zinc/81/20/88/375812088.db2.gz ZXHHJRNLDNKZAA-CHWSQXEVSA-N 1 1 291.358 3.013 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@]3(CCCOC3)C2)c1F ZINC000336615444 375877939 /nfs/dbraw/zinc/87/79/39/375877939.db2.gz LFHBHZTWPFKOLL-KRWDZBQOSA-N 1 1 288.366 3.090 20 30 CGEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)C1CCOCC1 ZINC000532623211 375952755 /nfs/dbraw/zinc/95/27/55/375952755.db2.gz NHMCCIOGOWDHSA-UHFFFAOYSA-N 1 1 272.392 3.099 20 30 CGEDMO C[C@@H](O)C[N@@H+](CC#Cc1ccc(F)cc1)Cc1ccccc1 ZINC000533469711 375954803 /nfs/dbraw/zinc/95/48/03/375954803.db2.gz JTOIWYFVVAOATK-MRXNPFEDSA-N 1 1 297.373 3.060 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000529719768 375934387 /nfs/dbraw/zinc/93/43/87/375934387.db2.gz QCYLDXPFRRSEEU-WBVHZDCISA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]1Cc1cccc(OC)c1 ZINC000532379036 375950335 /nfs/dbraw/zinc/95/03/35/375950335.db2.gz RVIAFQZUFFCQRT-SJORKVTESA-N 1 1 289.419 3.029 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000532378401 375950718 /nfs/dbraw/zinc/95/07/18/375950718.db2.gz VGKKSKSIWHUZCJ-GXTWGEPZSA-N 1 1 263.356 3.072 20 30 CGEDMO C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000336859265 376015197 /nfs/dbraw/zinc/01/51/97/376015197.db2.gz GFYXDDSZAXMPFF-RBSFLKMASA-N 1 1 299.418 3.253 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2c2ccc(C)c(C)c2)C1=O ZINC000337145228 376100218 /nfs/dbraw/zinc/10/02/18/376100218.db2.gz XGSFCUQWOCXQSO-ROUUACIJSA-N 1 1 298.430 3.227 20 30 CGEDMO CC[C@@H](C)C[N@@H+](CC)CCCC1(C#N)CCOCC1 ZINC000337195573 376129424 /nfs/dbraw/zinc/12/94/24/376129424.db2.gz VZXPPRKDIPLRHC-OAHLLOKOSA-N 1 1 266.429 3.455 20 30 CGEDMO CC[C@H](C)[N@@H+](C)CCNc1ccc(Cl)cc1C#N ZINC000218073903 376183323 /nfs/dbraw/zinc/18/33/23/376183323.db2.gz XCANFOQPXGBUFI-NSHDSACASA-N 1 1 265.788 3.354 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+](C)Cc1cnn(CC)c1 ZINC000537626466 376184986 /nfs/dbraw/zinc/18/49/86/376184986.db2.gz UAAQXJWDRHBDQC-UHFFFAOYSA-N 1 1 285.391 3.100 20 30 CGEDMO C=CCOc1ccccc1C[N@H+](C)Cc1cnn(CC)c1 ZINC000537626466 376184990 /nfs/dbraw/zinc/18/49/90/376184990.db2.gz UAAQXJWDRHBDQC-UHFFFAOYSA-N 1 1 285.391 3.100 20 30 CGEDMO C[C@H](C1CCC1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000337185338 376124438 /nfs/dbraw/zinc/12/44/38/376124438.db2.gz OWFCOJBVVDFSKZ-CQSZACIVSA-N 1 1 264.413 3.207 20 30 CGEDMO C[C@H]1CCC[N@@H+](CCCC2(C#N)CCOCC2)[C@H]1C ZINC000337188554 376125266 /nfs/dbraw/zinc/12/52/66/376125266.db2.gz QIFVOUACXNXSSZ-GJZGRUSLSA-N 1 1 264.413 3.207 20 30 CGEDMO CC1(C)C[N@H+](Cc2cccc(C#N)c2F)CCS1 ZINC000223557022 376257054 /nfs/dbraw/zinc/25/70/54/376257054.db2.gz DWJQDBUIASEAFJ-UHFFFAOYSA-N 1 1 264.369 3.025 20 30 CGEDMO CC1(C)C[N@@H+](Cc2cccc(C#N)c2F)CCS1 ZINC000223557022 376257059 /nfs/dbraw/zinc/25/70/59/376257059.db2.gz DWJQDBUIASEAFJ-UHFFFAOYSA-N 1 1 264.369 3.025 20 30 CGEDMO N#CCC[N@@H+](Cc1ccnc2ccccc12)CC1CC1 ZINC000538739634 376268097 /nfs/dbraw/zinc/26/80/97/376268097.db2.gz MFQXVMKAMMSBRE-UHFFFAOYSA-N 1 1 265.360 3.360 20 30 CGEDMO N#CCC[N@H+](Cc1ccnc2ccccc12)CC1CC1 ZINC000538739634 376268103 /nfs/dbraw/zinc/26/81/03/376268103.db2.gz MFQXVMKAMMSBRE-UHFFFAOYSA-N 1 1 265.360 3.360 20 30 CGEDMO C=CCOc1cccc(C[N@H+](C)CC(C)(C)OC)c1 ZINC000538827885 376274569 /nfs/dbraw/zinc/27/45/69/376274569.db2.gz YHEWEXLOKYWVRQ-UHFFFAOYSA-N 1 1 263.381 3.108 20 30 CGEDMO Cc1ccc2c(C[N@H+](C[C@H](C)C#N)C3CC3)ccc(O)c2n1 ZINC000338286690 376314417 /nfs/dbraw/zinc/31/44/17/376314417.db2.gz OJKUZHAQVLWQCE-GFCCVEGCSA-N 1 1 295.386 3.373 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000540339791 376371146 /nfs/dbraw/zinc/37/11/46/376371146.db2.gz ADMRTTRLVDUDCY-ARFHVFGLSA-N 1 1 251.414 3.480 20 30 CGEDMO CC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000234074750 376610592 /nfs/dbraw/zinc/61/05/92/376610592.db2.gz MOVPZOCISGXPRO-HNNXBMFYSA-N 1 1 258.365 3.331 20 30 CGEDMO CC(C)CC[C@H]1CCCC[N@H+]1CCOCCC#N ZINC000339049160 376645773 /nfs/dbraw/zinc/64/57/73/376645773.db2.gz USHXTRPDCGQTFZ-OAHLLOKOSA-N 1 1 252.402 3.207 20 30 CGEDMO C=C(CC)C[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000543540548 376652202 /nfs/dbraw/zinc/65/22/02/376652202.db2.gz ADLXQJCJAJUCMD-NSHDSACASA-N 1 1 275.327 3.493 20 30 CGEDMO C=CCOCC[N@H+](C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000339108227 376683372 /nfs/dbraw/zinc/68/33/72/376683372.db2.gz NGDBIQWCHGUSKO-GOSISDBHSA-N 1 1 287.403 3.159 20 30 CGEDMO COc1cccc2c1CC[N@H+](CC#Cc1ccc(F)cc1)C2 ZINC000543870672 376685070 /nfs/dbraw/zinc/68/50/70/376685070.db2.gz JFFVLNNQRAHMIJ-UHFFFAOYSA-N 1 1 295.357 3.244 20 30 CGEDMO COc1cccc2c1CC[N@@H+](CC#Cc1ccc(F)cc1)C2 ZINC000543870672 376685071 /nfs/dbraw/zinc/68/50/71/376685071.db2.gz JFFVLNNQRAHMIJ-UHFFFAOYSA-N 1 1 295.357 3.244 20 30 CGEDMO CC1(C)C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C[C@](C)(C(F)(F)F)O1 ZINC000339453308 376759207 /nfs/dbraw/zinc/75/92/07/376759207.db2.gz FBPWTOHJVARYJA-NQBHXWOUSA-N 1 1 290.329 3.110 20 30 CGEDMO CC1(C)C[N@H+]([C@@H]2CC[C@@H](C#N)C2)C[C@](C)(C(F)(F)F)O1 ZINC000339453308 376759217 /nfs/dbraw/zinc/75/92/17/376759217.db2.gz FBPWTOHJVARYJA-NQBHXWOUSA-N 1 1 290.329 3.110 20 30 CGEDMO C=CCOCCC[N@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000339443526 376756934 /nfs/dbraw/zinc/75/69/34/376756934.db2.gz VWTRQTKGINERLD-ZDUSSCGKSA-N 1 1 295.345 3.011 20 30 CGEDMO C=CCOCCC[N@@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000339443526 376756947 /nfs/dbraw/zinc/75/69/47/376756947.db2.gz VWTRQTKGINERLD-ZDUSSCGKSA-N 1 1 295.345 3.011 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)Cc1nccc(C)n1 ZINC000339645149 376780802 /nfs/dbraw/zinc/78/08/02/376780802.db2.gz JRQDKLGQQAGFKC-UHFFFAOYSA-N 1 1 267.376 3.016 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1nccc(C)n1 ZINC000339645149 376780810 /nfs/dbraw/zinc/78/08/10/376780810.db2.gz JRQDKLGQQAGFKC-UHFFFAOYSA-N 1 1 267.376 3.016 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCCC#N)C[C@@H](c2ccccc2)O1 ZINC000245385465 376804329 /nfs/dbraw/zinc/80/43/29/376804329.db2.gz CVSKIRNVJNEIPQ-ZBFHGGJFSA-N 1 1 258.365 3.142 20 30 CGEDMO C=C(C)C[N@H+](CC)CCC(C)(C)CC(=O)OCC ZINC000553868041 376848793 /nfs/dbraw/zinc/84/87/93/376848793.db2.gz GVMNYLZQLYCCNJ-UHFFFAOYSA-N 1 1 255.402 3.254 20 30 CGEDMO CC#CC[N@H+](Cc1ccc(OC)cc1OC)[C@H](C)C1CC1 ZINC000554860778 376853562 /nfs/dbraw/zinc/85/35/62/376853562.db2.gz OMCUFGYHZNJQQZ-CQSZACIVSA-N 1 1 287.403 3.328 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@@H](O)Cc1ccc(F)cc1 ZINC000555377731 376855821 /nfs/dbraw/zinc/85/58/21/376855821.db2.gz SXPWJWGRFMARJH-KRWDZBQOSA-N 1 1 279.399 3.407 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@H](O)Cc1ccc(F)cc1 ZINC000555377732 376856606 /nfs/dbraw/zinc/85/66/06/376856606.db2.gz SXPWJWGRFMARJH-QGZVFWFLSA-N 1 1 279.399 3.407 20 30 CGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@]3(CC=CCC3)C2)cc1 ZINC000246030406 376954037 /nfs/dbraw/zinc/95/40/37/376954037.db2.gz NMHRIPBXYLIROD-RTBURBONSA-N 1 1 296.414 3.414 20 30 CGEDMO CCC[N@@H+](CC)C[C@H](C)Nc1ccc(C#N)cc1F ZINC000558603355 377023101 /nfs/dbraw/zinc/02/31/01/377023101.db2.gz RDJWYYJLLWGEQE-LBPRGKRZSA-N 1 1 263.360 3.230 20 30 CGEDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C[C@@H](C)C1 ZINC000246540399 377049298 /nfs/dbraw/zinc/04/92/98/377049298.db2.gz CZGUKANOTNINPL-CABCVRRESA-N 1 1 299.418 3.255 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1C[C@@H](c2ccccc2C)OC[C@@H]1C ZINC000246670973 377069214 /nfs/dbraw/zinc/06/92/14/377069214.db2.gz DELFLVVXPQNILB-BQFCYCMXSA-N 1 1 289.419 3.084 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246989614 377134975 /nfs/dbraw/zinc/13/49/75/377134975.db2.gz WHEJLOCKXSADDW-HZPDHXFCSA-N 1 1 263.356 3.290 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000247502071 377215244 /nfs/dbraw/zinc/21/52/44/377215244.db2.gz LURPHTDDLHRGHY-MAUKXSAKSA-N 1 1 285.435 3.425 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000247543104 377222617 /nfs/dbraw/zinc/22/26/17/377222617.db2.gz KCHAZNHIEMPXKF-MLGOLLRUSA-N 1 1 258.340 3.462 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+](C)Cc1nc([C@@H](C)OCC)no1 ZINC000340882022 377301496 /nfs/dbraw/zinc/30/14/96/377301496.db2.gz VUGWIRREWRSMSY-QWHCGFSZSA-N 1 1 281.400 3.344 20 30 CGEDMO C=CCCC[C@H](C)[N@H+](C)Cc1nc([C@@H](C)OCC)no1 ZINC000340882022 377301505 /nfs/dbraw/zinc/30/15/05/377301505.db2.gz VUGWIRREWRSMSY-QWHCGFSZSA-N 1 1 281.400 3.344 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCc3ccsc3C2)c1 ZINC000341027618 377362636 /nfs/dbraw/zinc/36/26/36/377362636.db2.gz MAMDMZDEQFCTRG-UHFFFAOYSA-N 1 1 254.358 3.178 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]3CCC[C@H]32)cc1F ZINC000248883500 377420999 /nfs/dbraw/zinc/42/09/99/377420999.db2.gz QCVPMGNPARYFOU-CZUORRHYSA-N 1 1 258.340 3.462 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)[C@H]1c1ccccc1 ZINC000248911682 377428373 /nfs/dbraw/zinc/42/83/73/377428373.db2.gz YDWQCHCIOLCJMG-CXAGYDPISA-N 1 1 265.360 3.090 20 30 CGEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1nc2c(cc1C#N)CCC2 ZINC000341111339 377401514 /nfs/dbraw/zinc/40/15/14/377401514.db2.gz WRSXNPDAUVBMDN-OKILXGFUSA-N 1 1 298.434 3.117 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+][C@H](CC(F)F)c1ccccc1 ZINC000566792367 377501048 /nfs/dbraw/zinc/50/10/48/377501048.db2.gz VCBGDKHWQBFADD-GXTWGEPZSA-N 1 1 277.318 3.416 20 30 CGEDMO CCCC[C@H](C)[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000567087056 377504806 /nfs/dbraw/zinc/50/48/06/377504806.db2.gz CPFMDLMKWALAEI-HNNXBMFYSA-N 1 1 293.455 3.182 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCS[C@@H](C)CC1 ZINC000249112859 377464866 /nfs/dbraw/zinc/46/48/66/377464866.db2.gz WAERLXNZCXFCJG-QWHCGFSZSA-N 1 1 260.406 3.447 20 30 CGEDMO Cc1cc([NH+]2CCCC2)ccc1NC[C@@H](C#N)CCC#N ZINC000566119109 377493383 /nfs/dbraw/zinc/49/33/83/377493383.db2.gz QZAABBZYNLCDLF-OAHLLOKOSA-N 1 1 282.391 3.451 20 30 CGEDMO Cc1ncncc1[C@H](C)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000568413825 377518108 /nfs/dbraw/zinc/51/81/08/377518108.db2.gz ROIWEEGSWRLBKY-YOEHRIQHSA-N 1 1 280.375 3.481 20 30 CGEDMO CCOC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000313390199 249091486 /nfs/dbraw/zinc/09/14/86/249091486.db2.gz MOTARGWSUGBBQA-MRXNPFEDSA-N 1 1 276.355 3.088 20 30 CGEDMO CCOC[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000313390199 249091489 /nfs/dbraw/zinc/09/14/89/249091489.db2.gz MOTARGWSUGBBQA-MRXNPFEDSA-N 1 1 276.355 3.088 20 30 CGEDMO N#Cc1cccc(OCC[N@H+]2CC[C@H](c3ccccc3)C2)c1 ZINC000315497271 249099401 /nfs/dbraw/zinc/09/94/01/249099401.db2.gz XRWYQNJJUWTRTR-SFHVURJKSA-N 1 1 292.382 3.427 20 30 CGEDMO C=C(C)[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(F)c(F)c1 ZINC000573221017 377555163 /nfs/dbraw/zinc/55/51/63/377555163.db2.gz WZYNADZRLJYBDX-ZENOOKHLSA-N 1 1 280.362 3.442 20 30 CGEDMO C=CCCCC[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000573535243 377558131 /nfs/dbraw/zinc/55/81/31/377558131.db2.gz XSUNCRLNXAFMPG-UHFFFAOYSA-N 1 1 297.446 3.422 20 30 CGEDMO Cc1noc([C@H]2CCC[N@H+]([C@@H](C)c3ccc(C#N)cc3)C2)n1 ZINC000265475185 190185090 /nfs/dbraw/zinc/18/50/90/190185090.db2.gz JYNWDHUMLHGUEE-LRDDRELGSA-N 1 1 296.374 3.190 20 30 CGEDMO C[C@H]1CC[N@@H+](CCCOc2cccc(C#N)c2)C[C@H]1C ZINC000252727141 377657265 /nfs/dbraw/zinc/65/72/65/377657265.db2.gz ATLRKEMWZAFCOR-LSDHHAIUSA-N 1 1 272.392 3.305 20 30 CGEDMO C[N@@H+](CC[C@@H]1CCCO1)Cc1ccc(Cl)cc1C#N ZINC000342611369 377689928 /nfs/dbraw/zinc/68/99/28/377689928.db2.gz XIAXSJPZMOJDJL-HNNXBMFYSA-N 1 1 278.783 3.213 20 30 CGEDMO C[C@@H](C[NH+]1CCC(C)CC1)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000574585012 377683661 /nfs/dbraw/zinc/68/36/61/377683661.db2.gz PIGWEHIREBXEPK-HNAYVOBHSA-N 1 1 297.446 3.256 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1CC ZINC000342764057 377776820 /nfs/dbraw/zinc/77/68/20/377776820.db2.gz IUIDCGYPWCCCIC-ZDUSSCGKSA-N 1 1 260.381 3.084 20 30 CGEDMO Cc1ccc(-c2noc([C@@H](C)[NH2+]CCCC#N)n2)cc1F ZINC000342714559 377751875 /nfs/dbraw/zinc/75/18/75/377751875.db2.gz DHALSWPYRPUXSU-LLVKDONJSA-N 1 1 288.326 3.139 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc(C(=O)OC)ccc1Cl ZINC000342725930 377758335 /nfs/dbraw/zinc/75/83/35/377758335.db2.gz SQJGECGUQGAQOY-UHFFFAOYSA-N 1 1 267.756 3.135 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(OCC(F)(F)F)nc1 ZINC000342735229 377764854 /nfs/dbraw/zinc/76/48/54/377764854.db2.gz PBSPNHNSKFITSA-UHFFFAOYSA-N 1 1 274.286 3.031 20 30 CGEDMO N#CCC1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000259872595 377806607 /nfs/dbraw/zinc/80/66/07/377806607.db2.gz CTNALLMYFYZPTF-UHFFFAOYSA-N 1 1 250.292 3.090 20 30 CGEDMO N#Cc1ccc(OCC[N@H+]2CCC[C@H]2C2CCC2)cc1 ZINC000343012448 377882033 /nfs/dbraw/zinc/88/20/33/377882033.db2.gz XADNTOTZKQXXRU-KRWDZBQOSA-N 1 1 270.376 3.202 20 30 CGEDMO Cn1cc(Cl)cc1C[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000343558446 378018937 /nfs/dbraw/zinc/01/89/37/378018937.db2.gz UDFBGNBQWPICKG-UHFFFAOYSA-N 1 1 287.794 3.377 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)[C@@H](C)C1 ZINC000265866693 378011151 /nfs/dbraw/zinc/01/11/51/378011151.db2.gz UHUWDFIVBCKELE-KGLIPLIRSA-N 1 1 258.365 3.209 20 30 CGEDMO COC(=O)c1cccc(C[N@H+]2[C@H](C)CCC2(C)C)c1C#N ZINC000578114120 378037778 /nfs/dbraw/zinc/03/77/78/378037778.db2.gz DTNCGDQKUANOAQ-GFCCVEGCSA-N 1 1 286.375 3.108 20 30 CGEDMO CC[N@H+]1CCCN(c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000268212086 378050478 /nfs/dbraw/zinc/05/04/78/378050478.db2.gz QTHBTSSOGCPOED-UHFFFAOYSA-N 1 1 297.324 3.109 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+](C)CCC2CCCCCC2)C1=O ZINC000578263362 378052751 /nfs/dbraw/zinc/05/27/51/378052751.db2.gz AUGIBKNRTQNMLU-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc2c(cc1Cl)OCCO2 ZINC000343700581 378068870 /nfs/dbraw/zinc/06/88/70/378068870.db2.gz WDKBLQADKUXGNE-UHFFFAOYSA-N 1 1 267.756 3.119 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](CCCCOC)Cc1ccccc1 ZINC000268530896 378071373 /nfs/dbraw/zinc/07/13/73/378071373.db2.gz IJXYLLPTINEGRH-SFHVURJKSA-N 1 1 291.435 3.242 20 30 CGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CC[C@H](c3ccccc3)C2)cc1 ZINC000268646874 378085994 /nfs/dbraw/zinc/08/59/94/378085994.db2.gz FSSKUFCRKPQRTM-OALUTQOASA-N 1 1 292.382 3.081 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](C3CC3)C2)c(OC(F)F)c1 ZINC000344016831 378153785 /nfs/dbraw/zinc/15/37/85/378153785.db2.gz NKUHUHUTMMXVRF-ZDUSSCGKSA-N 1 1 292.329 3.392 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCC[C@H]1C ZINC000579727336 378188204 /nfs/dbraw/zinc/18/82/04/378188204.db2.gz GLJUENBOLHDYCG-DOMZBBRYSA-N 1 1 278.421 3.257 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000344026186 378156242 /nfs/dbraw/zinc/15/62/42/378156242.db2.gz BKSJRAQZIUFFFV-HZPDHXFCSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCN1CC[N@@H+](CCC=C)[C@@H]([C@@H](C)CC)C1 ZINC000269930965 378284212 /nfs/dbraw/zinc/28/42/12/378284212.db2.gz HJVCHKFIMYRJSI-JKSUJKDBSA-N 1 1 250.430 3.171 20 30 CGEDMO C=CCCN1CC[N@@H+](CCC=C)C[C@@H]1[C@@H](C)CC ZINC000269930965 378284217 /nfs/dbraw/zinc/28/42/17/378284217.db2.gz HJVCHKFIMYRJSI-JKSUJKDBSA-N 1 1 250.430 3.171 20 30 CGEDMO C=CCCN1CC[N@H+](CCC=C)C[C@@H]1[C@@H](C)CC ZINC000269930965 378284222 /nfs/dbraw/zinc/28/42/22/378284222.db2.gz HJVCHKFIMYRJSI-JKSUJKDBSA-N 1 1 250.430 3.171 20 30 CGEDMO N#Cc1ccccc1C[NH2+][C@H](CCCO)c1ccccc1 ZINC000270098208 378307290 /nfs/dbraw/zinc/30/72/90/378307290.db2.gz LNZVIIJWUBKGMD-GOSISDBHSA-N 1 1 280.371 3.162 20 30 CGEDMO C[N@H+](Cc1ccccc1C(C)(C)C#N)C[C@H]1CCC[C@@H]1O ZINC000270217751 378323263 /nfs/dbraw/zinc/32/32/63/378323263.db2.gz YURAYTKOSYEYFZ-WBVHZDCISA-N 1 1 286.419 3.081 20 30 CGEDMO CCC[N@@H+](CC)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000270779010 378399509 /nfs/dbraw/zinc/39/95/09/378399509.db2.gz OCCGZCDCZCIAHP-OAHLLOKOSA-N 1 1 287.407 3.054 20 30 CGEDMO C=CCCCCCNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000584419764 378383958 /nfs/dbraw/zinc/38/39/58/378383958.db2.gz PJWLMBPNWWLIKT-CVEARBPZSA-N 1 1 295.471 3.105 20 30 CGEDMO C#CCCC[N@H+](CCC)[C@H](C)C(=O)Nc1ccccc1 ZINC000271062354 378446000 /nfs/dbraw/zinc/44/60/00/378446000.db2.gz STMIMKRMLLRXRZ-OAHLLOKOSA-N 1 1 272.392 3.139 20 30 CGEDMO CC[N@@H+](Cc1c(C)n[nH]c1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000271121054 378455811 /nfs/dbraw/zinc/45/58/11/378455811.db2.gz XZUODHWZPRONSJ-AWEZNQCLSA-N 1 1 282.391 3.481 20 30 CGEDMO COc1ccc(C[N@H+](CCC#N)CC2CC2)cc1C ZINC000271159399 378466504 /nfs/dbraw/zinc/46/65/04/378466504.db2.gz JUJGAXLNYNPDAR-UHFFFAOYSA-N 1 1 258.365 3.129 20 30 CGEDMO COc1ccc(C[N@@H+](CCC#N)CC2CC2)cc1C ZINC000271159399 378466507 /nfs/dbraw/zinc/46/65/07/378466507.db2.gz JUJGAXLNYNPDAR-UHFFFAOYSA-N 1 1 258.365 3.129 20 30 CGEDMO COc1ccsc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000271038638 378435491 /nfs/dbraw/zinc/43/54/91/378435491.db2.gz HOFUSRWUKBRZDJ-UHFFFAOYSA-N 1 1 272.373 3.260 20 30 CGEDMO COc1ccsc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000271038638 378435498 /nfs/dbraw/zinc/43/54/98/378435498.db2.gz HOFUSRWUKBRZDJ-UHFFFAOYSA-N 1 1 272.373 3.260 20 30 CGEDMO C[N@@H+](CCOc1ccccc1Cl)Cc1ccc(C#N)o1 ZINC000271052279 378439853 /nfs/dbraw/zinc/43/98/53/378439853.db2.gz WXHKOZJSBWJVPA-UHFFFAOYSA-N 1 1 290.750 3.315 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000271305111 378489046 /nfs/dbraw/zinc/48/90/46/378489046.db2.gz PTZYBHXWXISOKV-LBPRGKRZSA-N 1 1 271.364 3.032 20 30 CGEDMO CCN1CCC([NH2+][C@H](CCC#N)c2ccccc2)CC1 ZINC000271708790 378501566 /nfs/dbraw/zinc/50/15/66/378501566.db2.gz NYPSULPUBYAKHV-QGZVFWFLSA-N 1 1 271.408 3.105 20 30 CGEDMO C[C@H](NCC[NH+]1CCC(C)CC1)c1ccc(C#N)c(F)c1 ZINC000271958774 378530745 /nfs/dbraw/zinc/53/07/45/378530745.db2.gz TYMBLOQELPMRAR-AWEZNQCLSA-N 1 1 289.398 3.080 20 30 CGEDMO C=CCOc1cccc(CN(C)CC[C@H]([NH3+])C(C)C)c1 ZINC000346686866 378674943 /nfs/dbraw/zinc/67/49/43/378674943.db2.gz UWGJCGKEZUBQLC-KRWDZBQOSA-N 1 1 276.424 3.057 20 30 CGEDMO C=C(CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000346779133 378687649 /nfs/dbraw/zinc/68/76/49/378687649.db2.gz MSVWBGJOLUTUFR-BFYDXBDKSA-N 1 1 258.409 3.018 20 30 CGEDMO C=C(CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000346779133 378687656 /nfs/dbraw/zinc/68/76/56/378687656.db2.gz MSVWBGJOLUTUFR-BFYDXBDKSA-N 1 1 258.409 3.018 20 30 CGEDMO C=C(C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C)c1ccccc1 ZINC000346779133 378687661 /nfs/dbraw/zinc/68/76/61/378687661.db2.gz MSVWBGJOLUTUFR-BFYDXBDKSA-N 1 1 258.409 3.018 20 30 CGEDMO Cc1cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)cc(C)c1O ZINC000347846720 378726255 /nfs/dbraw/zinc/72/62/55/378726255.db2.gz FLQXXMCGXBTXBP-NSHDSACASA-N 1 1 258.365 3.133 20 30 CGEDMO Cc1cc(C[N@H+](C[C@@H](C)C#N)C2CC2)cc(C)c1O ZINC000347846720 378726259 /nfs/dbraw/zinc/72/62/59/378726259.db2.gz FLQXXMCGXBTXBP-NSHDSACASA-N 1 1 258.365 3.133 20 30 CGEDMO C=CCOCCC[N@H+](C)[C@H](C)Cc1ccccc1OC ZINC000348060790 378772588 /nfs/dbraw/zinc/77/25/88/378772588.db2.gz RXZMHAYFHARVQS-OAHLLOKOSA-N 1 1 277.408 3.151 20 30 CGEDMO C=CCOCCC[N@@H+]1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000348030935 378759985 /nfs/dbraw/zinc/75/99/85/378759985.db2.gz JTZFSHKEZCIQNI-KRWDZBQOSA-N 1 1 293.382 3.100 20 30 CGEDMO C=CCOCCC[N@H+]1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000348030935 378759990 /nfs/dbraw/zinc/75/99/90/378759990.db2.gz JTZFSHKEZCIQNI-KRWDZBQOSA-N 1 1 293.382 3.100 20 30 CGEDMO C=CCOc1cccc(C[N@H+](CC2CCC2)[C@@H](C)CO)c1 ZINC000348284363 378884252 /nfs/dbraw/zinc/88/42/52/378884252.db2.gz HVWLNNNJNOJVBY-HNNXBMFYSA-N 1 1 289.419 3.234 20 30 CGEDMO C=C(C)CC[N@H+](C)Cc1cc(Br)cn1C ZINC000274765702 378891045 /nfs/dbraw/zinc/89/10/45/378891045.db2.gz GDCBUKCOIPQRPC-UHFFFAOYSA-N 1 1 271.202 3.186 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000274977754 378924830 /nfs/dbraw/zinc/92/48/30/378924830.db2.gz BBFRFKOWZQIPCI-CJNGLKHVSA-N 1 1 280.375 3.222 20 30 CGEDMO C=C(C)C[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348332004 378912539 /nfs/dbraw/zinc/91/25/39/378912539.db2.gz SNRNRBTZKBFGRT-INIZCTEOSA-N 1 1 289.810 3.098 20 30 CGEDMO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)o1 ZINC000276232834 378963166 /nfs/dbraw/zinc/96/31/66/378963166.db2.gz SCYBMKNTUSTDPX-NSHDSACASA-N 1 1 272.270 3.314 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@@H]2COc3c2cccc3Cl)s1 ZINC000370463292 379020968 /nfs/dbraw/zinc/02/09/68/379020968.db2.gz JUEWLXZPJKQLIP-CYBMUJFWSA-N 1 1 290.775 3.496 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1C[C@H](C)CC1(C)C ZINC000347248842 218169546 /nfs/dbraw/zinc/16/95/46/218169546.db2.gz FPWYGHCVKZKZMW-GFCCVEGCSA-N 1 1 258.365 3.187 20 30 CGEDMO N#Cc1ccc(C[N@@H+](CC[C@H]2CCCCO2)C2CC2)cc1 ZINC000347397899 218222000 /nfs/dbraw/zinc/22/20/00/218222000.db2.gz ZTTGPDNYSAXIRZ-GOSISDBHSA-N 1 1 284.403 3.482 20 30 CGEDMO CCc1nnc([C@H](C)[NH2+][C@H](CC)c2ccc(C#N)cc2)[nH]1 ZINC000278818957 194169900 /nfs/dbraw/zinc/16/99/00/194169900.db2.gz SJOQHJHZKPZXIR-SMDDNHRTSA-N 1 1 283.379 3.041 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@@H](C)c2cnc(C)nc2C)C1 ZINC000639310050 379260834 /nfs/dbraw/zinc/26/08/34/379260834.db2.gz NNYXAPGKKSIEKG-ZFWWWQNUSA-N 1 1 259.397 3.443 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2nnc(CC)o2)CCCC1(C)C ZINC000277905941 379260784 /nfs/dbraw/zinc/26/07/84/379260784.db2.gz XAQMAYCVRJAFCX-LBPRGKRZSA-N 1 1 263.385 3.199 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@H](CC(F)(F)F)C2)ccc1F ZINC000278893418 194200089 /nfs/dbraw/zinc/20/00/89/194200089.db2.gz URNOKXGJJAEZMI-LLVKDONJSA-N 1 1 286.272 3.472 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CC[C@@H](CC(F)(F)F)C2)cc1 ZINC000278908972 194206998 /nfs/dbraw/zinc/20/69/98/194206998.db2.gz VURLTSMXLUENIO-ZDUSSCGKSA-N 1 1 285.284 3.452 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2ccnn2CC2CCC2)C1 ZINC000639349191 379306011 /nfs/dbraw/zinc/30/60/11/379306011.db2.gz WEAJTNWWJJZVHA-CQSZACIVSA-N 1 1 259.397 3.081 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](c3ccco3)C2)c1 ZINC000374000508 379360397 /nfs/dbraw/zinc/36/03/97/379360397.db2.gz CZPXTSPITBLSFJ-CYBMUJFWSA-N 1 1 270.307 3.280 20 30 CGEDMO CC[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1ccc(C#N)cc1 ZINC000278618464 379402585 /nfs/dbraw/zinc/40/25/85/379402585.db2.gz GBSGJNKRCMDELS-HOTGVXAUSA-N 1 1 280.375 3.400 20 30 CGEDMO C=CCc1cc(C[N@@H+](C)CC(C)C)cc(OC)c1O ZINC000349862203 379428923 /nfs/dbraw/zinc/42/89/23/379428923.db2.gz UFPLRGUXHBBTIX-UHFFFAOYSA-N 1 1 263.381 3.217 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639790717 379586854 /nfs/dbraw/zinc/58/68/54/379586854.db2.gz DWVFAINOXODAEQ-ZBFHGGJFSA-N 1 1 279.387 3.221 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1ccc(Oc2ccccc2)nn1 ZINC000351094871 379642058 /nfs/dbraw/zinc/64/20/58/379642058.db2.gz DICPLPBWDDAVMF-UHFFFAOYSA-N 1 1 269.348 3.277 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(Oc2ccccc2)nn1 ZINC000351094871 379642074 /nfs/dbraw/zinc/64/20/74/379642074.db2.gz DICPLPBWDDAVMF-UHFFFAOYSA-N 1 1 269.348 3.277 20 30 CGEDMO CC1(C#N)CC[NH+](Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000351729258 379741830 /nfs/dbraw/zinc/74/18/30/379741830.db2.gz FASHGMQYVDGXOC-UHFFFAOYSA-N 1 1 294.301 3.134 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000352384146 379790241 /nfs/dbraw/zinc/79/02/41/379790241.db2.gz RRFXXJUTCMWLEH-DOTOQJQBSA-N 1 1 273.376 3.005 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000352384146 379790248 /nfs/dbraw/zinc/79/02/48/379790248.db2.gz RRFXXJUTCMWLEH-DOTOQJQBSA-N 1 1 273.376 3.005 20 30 CGEDMO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000280908929 379809653 /nfs/dbraw/zinc/80/96/53/379809653.db2.gz RVTWQLMLNYTBED-MKBNYLNASA-N 1 1 279.355 3.163 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]Cc1ccnn1C(C)C ZINC000280744855 379778905 /nfs/dbraw/zinc/77/89/05/379778905.db2.gz CGHYERHYWIPICA-UHFFFAOYSA-N 1 1 285.391 3.319 20 30 CGEDMO CC[C@H]([NH2+]Cc1ncnn1C(C)(C)C)c1ccc(C#N)cc1 ZINC000282693942 379971547 /nfs/dbraw/zinc/97/15/47/379971547.db2.gz KMVWCBJZKWRCNT-HNNXBMFYSA-N 1 1 297.406 3.146 20 30 CGEDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000352871577 380014817 /nfs/dbraw/zinc/01/48/17/380014817.db2.gz BQOKHASGPSGVGW-XJKSGUPXSA-N 1 1 290.382 3.213 20 30 CGEDMO CN(CC[C@@H]1CCCC[N@H+]1C)Cc1cccc(C#N)c1F ZINC000352887045 380020073 /nfs/dbraw/zinc/02/00/73/380020073.db2.gz IXMRXSWYRYIIGH-INIZCTEOSA-N 1 1 289.398 3.004 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1ccn(C(F)F)n1 ZINC000353005226 380072310 /nfs/dbraw/zinc/07/23/10/380072310.db2.gz UQQOAVHFNWEKDY-UHFFFAOYSA-N 1 1 281.306 3.102 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1ccn(C(F)F)n1 ZINC000353005226 380072313 /nfs/dbraw/zinc/07/23/13/380072313.db2.gz UQQOAVHFNWEKDY-UHFFFAOYSA-N 1 1 281.306 3.102 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)C[C@@H]1CCO[C@@H](C)C1 ZINC000352928037 380043496 /nfs/dbraw/zinc/04/34/96/380043496.db2.gz BNYYQRMUOYJMMA-LSDHHAIUSA-N 1 1 263.381 3.125 20 30 CGEDMO C[C@H]1CSCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411300431 380139227 /nfs/dbraw/zinc/13/92/27/380139227.db2.gz XLRJPHCASGRIFE-ZDUSSCGKSA-N 1 1 252.427 3.288 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCOC2(C1)CCCCCC2 ZINC000411348802 380142062 /nfs/dbraw/zinc/14/20/62/380142062.db2.gz PZDDSEDXMCRDTL-CQSZACIVSA-N 1 1 250.386 3.104 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000641944230 380123714 /nfs/dbraw/zinc/12/37/14/380123714.db2.gz BZQKZKQNDFUHFB-UHFFFAOYSA-N 1 1 294.398 3.174 20 30 CGEDMO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cn3ccsc3n1)CC2 ZINC000353261444 380194419 /nfs/dbraw/zinc/19/44/19/380194419.db2.gz GSYAOQCQVCUCOW-HNNXBMFYSA-N 1 1 294.383 3.045 20 30 CGEDMO C[N@H+](Cc1cc(F)ccc1C#N)[C@@H](CCO)c1ccccc1 ZINC000268283170 190392521 /nfs/dbraw/zinc/39/25/21/190392521.db2.gz GQQLEIMVEPBBFP-SFHVURJKSA-N 1 1 298.361 3.253 20 30 CGEDMO C[N@@H+](Cc1cc(F)ccc1C#N)[C@@H](CCO)c1ccccc1 ZINC000268283170 190392522 /nfs/dbraw/zinc/39/25/22/190392522.db2.gz GQQLEIMVEPBBFP-SFHVURJKSA-N 1 1 298.361 3.253 20 30 CGEDMO C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)CCC1(C#N)CCCCC1 ZINC000411567382 380151495 /nfs/dbraw/zinc/15/14/95/380151495.db2.gz YPWISAADZRTJJZ-AWEZNQCLSA-N 1 1 293.455 3.086 20 30 CGEDMO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000411567382 380151501 /nfs/dbraw/zinc/15/15/01/380151501.db2.gz YPWISAADZRTJJZ-AWEZNQCLSA-N 1 1 293.455 3.086 20 30 CGEDMO CCC[N@@H+](CCOc1ccc(C#N)cc1OC)CC(C)C ZINC000354278385 380383285 /nfs/dbraw/zinc/38/32/85/380383285.db2.gz KMXTUGHDGGFUPC-UHFFFAOYSA-N 1 1 290.407 3.314 20 30 CGEDMO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(F)cc2C#N)C1(C)C ZINC000354471364 380451661 /nfs/dbraw/zinc/45/16/61/380451661.db2.gz ZIRLJGGNSLJURQ-JKSUJKDBSA-N 1 1 290.382 3.333 20 30 CGEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(F)cc2C#N)C1(C)C ZINC000354471364 380451670 /nfs/dbraw/zinc/45/16/70/380451670.db2.gz ZIRLJGGNSLJURQ-JKSUJKDBSA-N 1 1 290.382 3.333 20 30 CGEDMO CC[N@H+]1CC[C@H](N(C)c2cccc(F)c2C#N)C[C@H]1C ZINC000354351847 380409541 /nfs/dbraw/zinc/40/95/41/380409541.db2.gz FTNIUAPBTHMYPW-OLZOCXBDSA-N 1 1 275.371 3.006 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1nc2c(s1)CCC2 ZINC000355123075 380584910 /nfs/dbraw/zinc/58/49/10/380584910.db2.gz PKTPSMGOGSCJDN-NSHDSACASA-N 1 1 283.400 3.354 20 30 CGEDMO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000417385674 380615761 /nfs/dbraw/zinc/61/57/61/380615761.db2.gz MEYRCDVRWLKVKH-TUFGIGEDSA-N 1 1 297.446 3.254 20 30 CGEDMO CC[N@@H+](CCOc1ccccc1C)[C@@H](C)CCC#N ZINC000420971380 380865324 /nfs/dbraw/zinc/86/53/24/380865324.db2.gz HWCPZLCDWYPEOA-HNNXBMFYSA-N 1 1 260.381 3.388 20 30 CGEDMO N#CC1(CC[N@@H+]2CCC[C@@H](CCO)CC2)CCCCC1 ZINC000421016011 380869775 /nfs/dbraw/zinc/86/97/75/380869775.db2.gz LYLNDVCZFOEJPQ-MRXNPFEDSA-N 1 1 278.440 3.335 20 30 CGEDMO C=CC[N@H+](CCCC)[C@@H]1CCc2ncsc2C1 ZINC000646129172 380844261 /nfs/dbraw/zinc/84/42/61/380844261.db2.gz YZXIGTHMIJDULK-GFCCVEGCSA-N 1 1 250.411 3.289 20 30 CGEDMO C[C@]1(Cc2ccc(F)cc2)CCC[N@H+]1CCOCCC#N ZINC000420920715 380860419 /nfs/dbraw/zinc/86/04/19/380860419.db2.gz BOIGAVLBHPDWQG-QGZVFWFLSA-N 1 1 290.382 3.153 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@@H](O)CC23CCC3)c1 ZINC000421378743 380919743 /nfs/dbraw/zinc/91/97/43/380919743.db2.gz WBBGTQKERYRPJO-MRXNPFEDSA-N 1 1 287.403 3.131 20 30 CGEDMO C[C@@H](C1CCC1)[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000357025179 380997869 /nfs/dbraw/zinc/99/78/69/380997869.db2.gz PEWFHZYUJJIOOQ-NSHDSACASA-N 1 1 291.420 3.069 20 30 CGEDMO CC[C@H](CC#N)NC(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000358085447 381292199 /nfs/dbraw/zinc/29/21/99/381292199.db2.gz YAZZTPRSKOFXGH-MRXNPFEDSA-N 1 1 299.418 3.093 20 30 CGEDMO C=C(CC)C[N@@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000358622033 381319085 /nfs/dbraw/zinc/31/90/85/381319085.db2.gz ANMSVMVVTIVNLH-CQSZACIVSA-N 1 1 270.380 3.226 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000359551533 381352575 /nfs/dbraw/zinc/35/25/75/381352575.db2.gz FMNHHLMFNHVRBQ-RYRKJORJSA-N 1 1 292.467 3.312 20 30 CGEDMO CC[NH+](CC)CCCC1CCN(CC2(C#N)CC2)CC1 ZINC000359869471 381378518 /nfs/dbraw/zinc/37/85/18/381378518.db2.gz HAIPEFDLCYQJEC-UHFFFAOYSA-N 1 1 277.456 3.124 20 30 CGEDMO COc1ccc2c(c1)C[C@H](C)[N@@H+](CC1(C#N)CC1)[C@@H]2C ZINC000359643333 381359012 /nfs/dbraw/zinc/35/90/12/381359012.db2.gz ZFTUXXTUGYXSTR-QWHCGFSZSA-N 1 1 270.376 3.307 20 30 CGEDMO COc1ccc2c(c1)C[C@H](C)[N@H+](CC1(C#N)CC1)[C@@H]2C ZINC000359643333 381359018 /nfs/dbraw/zinc/35/90/18/381359018.db2.gz ZFTUXXTUGYXSTR-QWHCGFSZSA-N 1 1 270.376 3.307 20 30 CGEDMO C=C(Cl)C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000359878308 381378964 /nfs/dbraw/zinc/37/89/64/381378964.db2.gz QSNXUUSYPQJLIS-UHFFFAOYSA-N 1 1 296.817 3.175 20 30 CGEDMO CC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)CC1CCC1 ZINC000361485231 381771443 /nfs/dbraw/zinc/77/14/43/381771443.db2.gz MRYMEDFTXVZRTL-UHFFFAOYSA-N 1 1 296.374 3.230 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC(C)=C(C)C1 ZINC000361618432 381843240 /nfs/dbraw/zinc/84/32/40/381843240.db2.gz JWZLMZHHESAUGA-UHFFFAOYSA-N 1 1 256.349 3.109 20 30 CGEDMO C(#Cc1ccccc1)C[N@@H+]1CCc2ccsc2C1 ZINC000361859190 381873200 /nfs/dbraw/zinc/87/32/00/381873200.db2.gz AYWCMDXVFSVVEU-UHFFFAOYSA-N 1 1 253.370 3.158 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCc2ccsc2C1 ZINC000361859190 381873206 /nfs/dbraw/zinc/87/32/06/381873206.db2.gz AYWCMDXVFSVVEU-UHFFFAOYSA-N 1 1 253.370 3.158 20 30 CGEDMO CCC1(CC)C[N@@H+](CCCSCC#N)CCS1 ZINC000362257218 381923349 /nfs/dbraw/zinc/92/33/49/381923349.db2.gz JUDCZNJFXMSOSC-UHFFFAOYSA-N 1 1 272.483 3.241 20 30 CGEDMO C[N@H+](Cc1cccc(F)c1C#N)[C@H](CCO)c1ccccc1 ZINC000362276036 381927098 /nfs/dbraw/zinc/92/70/98/381927098.db2.gz DYIZITAPJLPVTE-GOSISDBHSA-N 1 1 298.361 3.253 20 30 CGEDMO C[N@@H+](Cc1cccc(F)c1C#N)[C@H](CCO)c1ccccc1 ZINC000362276036 381927102 /nfs/dbraw/zinc/92/71/02/381927102.db2.gz DYIZITAPJLPVTE-GOSISDBHSA-N 1 1 298.361 3.253 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)o1 ZINC000362391035 381973003 /nfs/dbraw/zinc/97/30/03/381973003.db2.gz YBKVMIMSLVPJTQ-ZWKOTPCHSA-N 1 1 296.370 3.239 20 30 CGEDMO Cc1ccccc1C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000367128521 382334479 /nfs/dbraw/zinc/33/44/79/382334479.db2.gz CDQVTKUKXIOZOE-LJQANCHMSA-N 1 1 292.382 3.440 20 30 CGEDMO Cc1ccccc1C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000367128521 382334484 /nfs/dbraw/zinc/33/44/84/382334484.db2.gz CDQVTKUKXIOZOE-LJQANCHMSA-N 1 1 292.382 3.440 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)c1 ZINC000281001877 195063983 /nfs/dbraw/zinc/06/39/83/195063983.db2.gz MTOKITXAOOVVLC-GUDVDZBRSA-N 1 1 298.430 3.464 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)ccc1C#N ZINC000335322816 208187380 /nfs/dbraw/zinc/18/73/80/208187380.db2.gz UXNVXAUNSLOAQH-QZTJIDSGSA-N 1 1 284.403 3.115 20 30 CGEDMO CC(C)[C@H]1[N@@H+](Cc2cnc3ccc(C#N)cn23)CC1(C)C ZINC000353743220 220292768 /nfs/dbraw/zinc/29/27/68/220292768.db2.gz BOLBFUBZVDEVRQ-MRXNPFEDSA-N 1 1 282.391 3.072 20 30 CGEDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(C#N)cc2F)C[C@H]1C ZINC000353767002 220314995 /nfs/dbraw/zinc/31/49/95/220314995.db2.gz JVBYWLAIPVJTRG-CJNGLKHVSA-N 1 1 289.398 3.002 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](c3ccncc3)C2)c1 ZINC000289324207 197297840 /nfs/dbraw/zinc/29/78/40/197297840.db2.gz KHZZIDIWONSCCW-MRXNPFEDSA-N 1 1 295.361 3.472 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@H]2CC[C@@H](C#N)C2)cc1C ZINC000278623617 542377697 /nfs/dbraw/zinc/37/76/97/542377697.db2.gz NOAGFWHRAJDEAI-HIFRSBDPSA-N 1 1 258.365 3.128 20 30 CGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(C2CC2)CC1 ZINC000368326755 533338831 /nfs/dbraw/zinc/33/88/31/533338831.db2.gz DLGBIYYNHAJZAB-ZDUSSCGKSA-N 1 1 297.402 3.007 20 30 CGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC(C)(C)C[C@@H]1C ZINC000412050760 533332035 /nfs/dbraw/zinc/33/20/35/533332035.db2.gz ZJPDCKNOSAKDBW-STQMWFEESA-N 1 1 285.391 3.006 20 30 CGEDMO COc1cccc(C2=CC[N@H+]([C@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000336128555 533439393 /nfs/dbraw/zinc/43/93/93/533439393.db2.gz ZFDVXWZQQBNSTO-YOEHRIQHSA-N 1 1 282.387 3.477 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000068838173 392168141 /nfs/dbraw/zinc/16/81/41/392168141.db2.gz QAIVOOUMIPQTIL-CQSZACIVSA-N 1 1 285.391 3.009 20 30 CGEDMO Cc1ccc(O)c(C[N@@H+](CCC#N)CC(C)(C)C)c1 ZINC000093101249 392235603 /nfs/dbraw/zinc/23/56/03/392235603.db2.gz PBDUZYZNDGVQCG-UHFFFAOYSA-N 1 1 260.381 3.462 20 30 CGEDMO C#CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1nc(C2CC2)no1 ZINC000285078837 392317007 /nfs/dbraw/zinc/31/70/07/392317007.db2.gz KNZTWQPLBZZZDF-CJNGLKHVSA-N 1 1 295.386 3.232 20 30 CGEDMO C=CCOc1ccc(C[NH2+][C@H](C)c2cc(C)on2)cc1 ZINC000282788919 392295986 /nfs/dbraw/zinc/29/59/86/392295986.db2.gz WJOFSUVNJYBWEX-CYBMUJFWSA-N 1 1 272.348 3.399 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)Cc1cn(C(C)C)nn1 ZINC000289371515 392420563 /nfs/dbraw/zinc/42/05/63/392420563.db2.gz PEJDLMBQDDCHQG-UHFFFAOYSA-N 1 1 284.407 3.090 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1cn(C(C)C)nn1 ZINC000289371515 392420568 /nfs/dbraw/zinc/42/05/68/392420568.db2.gz PEJDLMBQDDCHQG-UHFFFAOYSA-N 1 1 284.407 3.090 20 30 CGEDMO C[C@@H]1C[N@H+](CCCCC#N)C[C@H](c2ccc(F)cc2)O1 ZINC000126763638 392443968 /nfs/dbraw/zinc/44/39/68/392443968.db2.gz KKLPDZHQPGKYOU-CZUORRHYSA-N 1 1 276.355 3.281 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCCC#N)C[C@H](c2ccc(F)cc2)O1 ZINC000126763638 392443970 /nfs/dbraw/zinc/44/39/70/392443970.db2.gz KKLPDZHQPGKYOU-CZUORRHYSA-N 1 1 276.355 3.281 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2c(C)n[nH]c2C)cc1 ZINC000290315175 392444886 /nfs/dbraw/zinc/44/48/86/392444886.db2.gz CNEZSUNFJXGYSL-QGZVFWFLSA-N 1 1 279.387 3.345 20 30 CGEDMO C=CC[N@H+](Cc1ccc(COCCOC)cc1)C1CC1 ZINC000290509660 392448986 /nfs/dbraw/zinc/44/89/86/392448986.db2.gz WYGLTLQLOVSHEP-UHFFFAOYSA-N 1 1 275.392 3.000 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000374406760 392677678 /nfs/dbraw/zinc/67/76/78/392677678.db2.gz QNXJVUDWQROTRO-DOTOQJQBSA-N 1 1 298.430 3.346 20 30 CGEDMO CCCCCCC[N@H+]1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000372610094 392622294 /nfs/dbraw/zinc/62/22/94/392622294.db2.gz BEOYGOMWNBSQNM-LSDHHAIUSA-N 1 1 267.413 3.027 20 30 CGEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)CCCSCC#N ZINC000173901201 392630085 /nfs/dbraw/zinc/63/00/85/392630085.db2.gz IGDGRJPLIWVCFU-CQSZACIVSA-N 1 1 292.448 3.205 20 30 CGEDMO CC[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C(C)C ZINC000174838212 392647641 /nfs/dbraw/zinc/64/76/41/392647641.db2.gz HJTHPBGTACMNMU-UHFFFAOYSA-N 1 1 297.402 3.468 20 30 CGEDMO CCc1nn(C)cc1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000179696098 392704296 /nfs/dbraw/zinc/70/42/96/392704296.db2.gz AHBHWWZLNADVJC-UHFFFAOYSA-N 1 1 296.418 3.265 20 30 CGEDMO Cc1c[nH+]cn1C1CCN(c2cccc(F)c2C#N)CC1 ZINC000336163539 392836806 /nfs/dbraw/zinc/83/68/06/392836806.db2.gz XUOJNZXOIDEPMI-UHFFFAOYSA-N 1 1 284.338 3.044 20 30 CGEDMO CCN1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2C)[C@H](C)C1 ZINC000186298367 392782307 /nfs/dbraw/zinc/78/23/07/392782307.db2.gz LTUZPOZMDJHCNJ-QAPCUYQASA-N 1 1 285.435 3.029 20 30 CGEDMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2C)[C@H](C)C1 ZINC000186298367 392782311 /nfs/dbraw/zinc/78/23/11/392782311.db2.gz LTUZPOZMDJHCNJ-QAPCUYQASA-N 1 1 285.435 3.029 20 30 CGEDMO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(C#N)cc2C)[C@H](C)C1 ZINC000186298367 392782315 /nfs/dbraw/zinc/78/23/15/392782315.db2.gz LTUZPOZMDJHCNJ-QAPCUYQASA-N 1 1 285.435 3.029 20 30 CGEDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(C#N)cc2C)[C@H](C)C1 ZINC000186298367 392782319 /nfs/dbraw/zinc/78/23/19/392782319.db2.gz LTUZPOZMDJHCNJ-QAPCUYQASA-N 1 1 285.435 3.029 20 30 CGEDMO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CC1(C#N)CC1 ZINC000335659728 392805735 /nfs/dbraw/zinc/80/57/35/392805735.db2.gz XIRLSXPOTHUTFD-JSGCOSHPSA-N 1 1 258.340 3.307 20 30 CGEDMO CC(C)N1CCC([NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000336004026 392827585 /nfs/dbraw/zinc/82/75/85/392827585.db2.gz NMVTYSCFBQZHIA-GOSISDBHSA-N 1 1 283.419 3.008 20 30 CGEDMO CC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000519713760 392886499 /nfs/dbraw/zinc/88/64/99/392886499.db2.gz ZJROMMQOTHJNHW-HNNXBMFYSA-N 1 1 287.363 3.477 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000338197380 392901633 /nfs/dbraw/zinc/90/16/33/392901633.db2.gz SKIPKILHBAPKNZ-QKPAOTATSA-N 1 1 251.414 3.214 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCC1(C#N)CC1 ZINC000338325022 392908029 /nfs/dbraw/zinc/90/80/29/392908029.db2.gz CWBUZQYKYSHRJG-QGZVFWFLSA-N 1 1 297.446 3.180 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cnn(-c2ccccc2)c1 ZINC000338389655 392914684 /nfs/dbraw/zinc/91/46/84/392914684.db2.gz JPEGIADAIKNYJN-UHFFFAOYSA-N 1 1 253.349 3.046 20 30 CGEDMO C[C@H]1CC[C@@]2(CC[N@H+](Cc3nc(C#N)cs3)C2)C1 ZINC000336401580 392854178 /nfs/dbraw/zinc/85/41/78/392854178.db2.gz TXSBNNWYCMSIDP-SMDDNHRTSA-N 1 1 261.394 3.027 20 30 CGEDMO C[C@H]1CC[C@@]2(CC[N@@H+](Cc3nc(C#N)cs3)C2)C1 ZINC000336401580 392854182 /nfs/dbraw/zinc/85/41/82/392854182.db2.gz TXSBNNWYCMSIDP-SMDDNHRTSA-N 1 1 261.394 3.027 20 30 CGEDMO C=CC[N@H+](Cc1cnn(-c2ccccc2C)c1)C1CC1 ZINC000648023624 392875967 /nfs/dbraw/zinc/87/59/67/392875967.db2.gz VJGHYAWSYNVSIY-UHFFFAOYSA-N 1 1 267.376 3.331 20 30 CGEDMO CCC(C)(C)[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000521630619 392929568 /nfs/dbraw/zinc/92/95/68/392929568.db2.gz BAPXXIQDKOXDQC-UHFFFAOYSA-N 1 1 261.325 3.087 20 30 CGEDMO C=CCOCC[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000338889043 392933867 /nfs/dbraw/zinc/93/38/67/392933867.db2.gz AMDCGNOEUFCJNQ-UHFFFAOYSA-N 1 1 289.297 3.220 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000339005916 392939137 /nfs/dbraw/zinc/93/91/37/392939137.db2.gz HUASGTGRNWXHRJ-KRWDZBQOSA-N 1 1 274.408 3.092 20 30 CGEDMO C=CCOCC[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC000338997422 392939619 /nfs/dbraw/zinc/93/96/19/392939619.db2.gz QAHJLUVAPLZVRM-UHFFFAOYSA-N 1 1 263.356 3.035 20 30 CGEDMO N#CCCOCC[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000339027734 392941188 /nfs/dbraw/zinc/94/11/88/392941188.db2.gz QXAWXNBNIVKKBC-QGZVFWFLSA-N 1 1 270.376 3.069 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@@H]1Cn1c(C)nc2ccccc21 ZINC000339057347 392942647 /nfs/dbraw/zinc/94/26/47/392942647.db2.gz RTCQTGRGLCKUFN-MRXNPFEDSA-N 1 1 299.418 3.012 20 30 CGEDMO C=C[C@H](C)[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000339051924 392943625 /nfs/dbraw/zinc/94/36/25/392943625.db2.gz ZYBUKYVMGWXUBB-VIFPVBQESA-N 1 1 297.189 3.238 20 30 CGEDMO CCC[C@]1(COC)CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000194937734 392947725 /nfs/dbraw/zinc/94/77/25/392947725.db2.gz KPCCXWCEZLWHDK-QGZVFWFLSA-N 1 1 290.382 3.478 20 30 CGEDMO CCC[N@H+](CCN1CCCCCC1)[C@H]1CC[C@H](C#N)C1 ZINC000411737234 392986949 /nfs/dbraw/zinc/98/69/49/392986949.db2.gz PAOPCMZJQZVTIA-IRXDYDNUSA-N 1 1 277.456 3.267 20 30 CGEDMO CCC[N@@H+](CCN1CCCCCC1)[C@H]1CC[C@H](C#N)C1 ZINC000411737234 392986953 /nfs/dbraw/zinc/98/69/53/392986953.db2.gz PAOPCMZJQZVTIA-IRXDYDNUSA-N 1 1 277.456 3.267 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC000530962779 392988065 /nfs/dbraw/zinc/98/80/65/392988065.db2.gz UCIJEEMJLBNGHU-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC000530962779 392988077 /nfs/dbraw/zinc/98/80/77/392988077.db2.gz UCIJEEMJLBNGHU-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CC[C@@H]1C ZINC000221128258 393006138 /nfs/dbraw/zinc/00/61/38/393006138.db2.gz HHAYCYQWDXFFJR-XHDPSFHLSA-N 1 1 278.783 3.068 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cn2cc(C)ccc2n1 ZINC000342855944 393010753 /nfs/dbraw/zinc/01/07/53/393010753.db2.gz YIKVHJQIOHXVTA-OAHLLOKOSA-N 1 1 255.365 3.183 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cn2cc(C)ccc2n1 ZINC000342855944 393010761 /nfs/dbraw/zinc/01/07/61/393010761.db2.gz YIKVHJQIOHXVTA-OAHLLOKOSA-N 1 1 255.365 3.183 20 30 CGEDMO CC[N@H+]1C[C@@H](C)[C@H](Nc2cccc(OCCCC#N)c2)C1 ZINC000342912102 393012387 /nfs/dbraw/zinc/01/23/87/393012387.db2.gz PKTHLJNPSKEFCR-RHSMWYFYSA-N 1 1 287.407 3.121 20 30 CGEDMO COc1ccccc1C[C@H]1CCC[N@H+]1CC1(C#N)CC1 ZINC000343312936 393024645 /nfs/dbraw/zinc/02/46/45/393024645.db2.gz FJXPGUBBJVLFFV-OAHLLOKOSA-N 1 1 270.376 3.006 20 30 CGEDMO N#CC1(C[N@H+](CCCO)[C@H]2CCCc3ccccc32)CC1 ZINC000343314021 393024742 /nfs/dbraw/zinc/02/47/42/393024742.db2.gz LXCGSTRCHRXCJS-KRWDZBQOSA-N 1 1 284.403 3.052 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@@]2(C)CCCO)c1 ZINC000349186388 393140648 /nfs/dbraw/zinc/14/06/48/393140648.db2.gz JEBTYCAMVFEKQP-SFHVURJKSA-N 1 1 289.419 3.378 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CCC[C@H]2C2CCC2)cc1 ZINC000264580965 393160537 /nfs/dbraw/zinc/16/05/37/393160537.db2.gz VHBDRZULSDRRHK-KRWDZBQOSA-N 1 1 270.376 3.353 20 30 CGEDMO C#CC[C@@H]([NH2+]Cc1ccc(COC)o1)c1ccccc1 ZINC000270141918 393236291 /nfs/dbraw/zinc/23/62/91/393236291.db2.gz BECXXPUXVNGGDT-QGZVFWFLSA-N 1 1 269.344 3.280 20 30 CGEDMO CC(C)c1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)[nH]1 ZINC000271908168 393255759 /nfs/dbraw/zinc/25/57/59/393255759.db2.gz XFICFAQBWJYVAY-RYUDHWBXSA-N 1 1 283.379 3.212 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCS[C@@H](c3ccccc3)C2)nc1 ZINC000593958232 393207916 /nfs/dbraw/zinc/20/79/16/393207916.db2.gz RHSHQIAWMATEPV-QGZVFWFLSA-N 1 1 295.411 3.243 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCS[C@@H](c3ccccc3)C2)nc1 ZINC000593958232 393207923 /nfs/dbraw/zinc/20/79/23/393207923.db2.gz RHSHQIAWMATEPV-QGZVFWFLSA-N 1 1 295.411 3.243 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)c1 ZINC000355230919 393270399 /nfs/dbraw/zinc/27/03/99/393270399.db2.gz ZNYFHRLNQOHIRJ-RDTXWAMCSA-N 1 1 287.403 3.251 20 30 CGEDMO CC(=O)c1ccc(C#N)c(N(C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000273198599 393273310 /nfs/dbraw/zinc/27/33/10/393273310.db2.gz KSPWWIXWQFZXCI-QGZVFWFLSA-N 1 1 299.418 3.071 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000649362299 393405216 /nfs/dbraw/zinc/40/52/16/393405216.db2.gz HKUICXDDXFCTET-YJBOKZPZSA-N 1 1 284.403 3.284 20 30 CGEDMO C=CCN1CC[C@H]([N@H+](C)[C@H](C)c2ccc(Cl)cc2)C1=O ZINC000281895516 393365942 /nfs/dbraw/zinc/36/59/42/393365942.db2.gz FCJWBULKYVWFEN-DOMZBBRYSA-N 1 1 292.810 3.120 20 30 CGEDMO CCC1CCC([N@@H+](CCO)Cc2cccc(C#N)c2)CC1 ZINC000488212601 393471062 /nfs/dbraw/zinc/47/10/62/393471062.db2.gz QTZOYGVTZSIEBN-UHFFFAOYSA-N 1 1 286.419 3.321 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@@H]1CC[C@H](C)C1 ZINC000429594566 393490857 /nfs/dbraw/zinc/49/08/57/393490857.db2.gz YHLLETDLWDFMID-SWLSCSKDSA-N 1 1 258.365 3.187 20 30 CGEDMO COc1ccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1C ZINC000612406147 542775662 /nfs/dbraw/zinc/77/56/62/542775662.db2.gz JFRYHYHSFJWLDX-INIZCTEOSA-N 1 1 258.365 3.129 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@@](C)(C#N)C2)cc1C ZINC000612406147 542775663 /nfs/dbraw/zinc/77/56/63/542775663.db2.gz JFRYHYHSFJWLDX-INIZCTEOSA-N 1 1 258.365 3.129 20 30 CGEDMO C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000430179140 393533336 /nfs/dbraw/zinc/53/33/36/393533336.db2.gz NQIOXTWCYAUKRN-OIISXLGYSA-N 1 1 299.418 3.233 20 30 CGEDMO C=CCOCC[N@H+](C)[C@H](C)CSc1ccccc1 ZINC000649666375 393535483 /nfs/dbraw/zinc/53/54/83/393535483.db2.gz PMCOJGGJIHJSNB-CQSZACIVSA-N 1 1 265.422 3.302 20 30 CGEDMO CC1=C[C@@H](C)C[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000430266307 393552858 /nfs/dbraw/zinc/55/28/58/393552858.db2.gz XNGPPIHOZZSEKY-CYBMUJFWSA-N 1 1 265.360 3.209 20 30 CGEDMO CCCc1nc(C)c(C[NH2+]Cc2cc(C#N)cs2)o1 ZINC000492378745 393725963 /nfs/dbraw/zinc/72/59/63/393725963.db2.gz UJQNIVCOBVBZQS-UHFFFAOYSA-N 1 1 275.377 3.159 20 30 CGEDMO Cc1cc(CN[C@H](C)C[N@@H+]2CCC[C@H](C)C2)ccc1C#N ZINC000443970252 393779673 /nfs/dbraw/zinc/77/96/73/393779673.db2.gz RDJOYGCILWUVDC-GOEBONIOSA-N 1 1 285.435 3.077 20 30 CGEDMO Cc1cc(CN[C@H](C)C[N@H+]2CCC[C@H](C)C2)ccc1C#N ZINC000443970252 393779676 /nfs/dbraw/zinc/77/96/76/393779676.db2.gz RDJOYGCILWUVDC-GOEBONIOSA-N 1 1 285.435 3.077 20 30 CGEDMO CC(C)[C@@H]1C[N@H+](Cc2nc(C#N)cs2)[C@@H]1C(C)C ZINC000449557023 393901858 /nfs/dbraw/zinc/90/18/58/393901858.db2.gz UCWHGGZPTXYYIE-GXTWGEPZSA-N 1 1 263.410 3.127 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](Cc2nc(C#N)cs2)[C@@H]1C(C)C ZINC000449557023 393901860 /nfs/dbraw/zinc/90/18/60/393901860.db2.gz UCWHGGZPTXYYIE-GXTWGEPZSA-N 1 1 263.410 3.127 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)[C@H]1C(C)C ZINC000449559762 393902921 /nfs/dbraw/zinc/90/29/21/393902921.db2.gz ZAPKCHLMYQXIEJ-CVEARBPZSA-N 1 1 259.397 3.009 20 30 CGEDMO CC1(C)CCCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000446059056 393842407 /nfs/dbraw/zinc/84/24/07/393842407.db2.gz CSFJOMYLXYPSNT-UHFFFAOYSA-N 1 1 291.420 3.070 20 30 CGEDMO CC1(C)CCCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000446059056 393842411 /nfs/dbraw/zinc/84/24/11/393842411.db2.gz CSFJOMYLXYPSNT-UHFFFAOYSA-N 1 1 291.420 3.070 20 30 CGEDMO C=CCOc1ccc(CN(C)Cc2cnc[nH]2)cc1Cl ZINC000668422485 543011027 /nfs/dbraw/zinc/01/10/27/543011027.db2.gz AKSMMSHLJDRGPJ-UHFFFAOYSA-N 1 1 291.782 3.260 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2nc3c(s2)CCC3)C1 ZINC000668493361 543020060 /nfs/dbraw/zinc/02/00/60/543020060.db2.gz NHIBETZALDVFRG-GFCCVEGCSA-N 1 1 262.422 3.420 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@H](C(F)(F)F)OC[C@H]1C ZINC000671715546 543179849 /nfs/dbraw/zinc/17/98/49/543179849.db2.gz IDHWDJSCTOVCKT-VXGBXAGGSA-N 1 1 265.319 3.384 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H](C(F)(F)F)OC[C@H]1C ZINC000671715546 543179850 /nfs/dbraw/zinc/17/98/50/543179850.db2.gz IDHWDJSCTOVCKT-VXGBXAGGSA-N 1 1 265.319 3.384 20 30 CGEDMO C=CCC[C@H](N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccco1 ZINC000671746813 543185085 /nfs/dbraw/zinc/18/50/85/543185085.db2.gz MDXURZIMMPHIJU-CVEARBPZSA-N 1 1 274.408 3.361 20 30 CGEDMO C=CCC[C@H](N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccco1 ZINC000671746813 543185086 /nfs/dbraw/zinc/18/50/86/543185086.db2.gz MDXURZIMMPHIJU-CVEARBPZSA-N 1 1 274.408 3.361 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000338566088 397683761 /nfs/dbraw/zinc/68/37/61/397683761.db2.gz QDXGDHXICNMMPG-OAHLLOKOSA-N 1 1 298.386 3.203 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CC[C@H](c3ccco3)C2)cc1 ZINC000676560062 543405505 /nfs/dbraw/zinc/40/55/05/543405505.db2.gz FKHYGFRSSNBKAJ-HNNXBMFYSA-N 1 1 269.319 3.260 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+]1C[C@H](c2ccccc2C)C[C@H]1C ZINC000677048481 543427822 /nfs/dbraw/zinc/42/78/22/543427822.db2.gz YUTCZBFWBBUXIS-INMHGKMJSA-N 1 1 259.393 3.110 20 30 CGEDMO COCC#CC[N@@H+](C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000677818296 543467049 /nfs/dbraw/zinc/46/70/49/543467049.db2.gz IPSKVVSISDVQBJ-LBPRGKRZSA-N 1 1 285.309 3.348 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](CC)C[C@H]2CCOC2)c1 ZINC000678151519 543488758 /nfs/dbraw/zinc/48/87/58/543488758.db2.gz NPRSMXJKNQCJFG-MRXNPFEDSA-N 1 1 275.392 3.110 20 30 CGEDMO Cn1cccc1[C@@H]1CCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000076613371 165117441 /nfs/dbraw/zinc/11/74/41/165117441.db2.gz CVZDHTGZHXSMFB-SFHVURJKSA-N 1 1 295.386 3.113 20 30 CGEDMO CCC(CC)[N@@H+](CCOC)Cc1ccc(OC)c(C#N)c1 ZINC000087833312 165189422 /nfs/dbraw/zinc/18/94/22/165189422.db2.gz IBUODKCFGGAPGM-UHFFFAOYSA-N 1 1 290.407 3.204 20 30 CGEDMO CC[C@@H](CSC)[N@@H+](C)Cc1cn2ccccc2c1C#N ZINC000091098080 165257941 /nfs/dbraw/zinc/25/79/41/165257941.db2.gz OTPQWOCYJQVXKY-AWEZNQCLSA-N 1 1 287.432 3.384 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+](Cc1ccncc1)C1CC1 ZINC000093222075 165326042 /nfs/dbraw/zinc/32/60/42/165326042.db2.gz XFILXBSNRZXXNP-UHFFFAOYSA-N 1 1 293.370 3.126 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](Cc1ccncc1)C1CC1 ZINC000093222075 165326045 /nfs/dbraw/zinc/32/60/45/165326045.db2.gz XFILXBSNRZXXNP-UHFFFAOYSA-N 1 1 293.370 3.126 20 30 CGEDMO CC(C)C[C@H]1CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000093716484 165336125 /nfs/dbraw/zinc/33/61/25/165336125.db2.gz XASYGQFBJVQALS-OAHLLOKOSA-N 1 1 296.418 3.464 20 30 CGEDMO CCSCC[C@H](C)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000093870935 165340269 /nfs/dbraw/zinc/34/02/69/165340269.db2.gz ZRWDAUAXRMIBHP-NSHDSACASA-N 1 1 252.383 3.115 20 30 CGEDMO COc1ccc(C[C@H](C)C[N@@H+](C)Cc2ccc(C#N)o2)cc1 ZINC000093772120 287119232 /nfs/dbraw/zinc/11/92/32/287119232.db2.gz SVTWIRMFKVLBNI-AWEZNQCLSA-N 1 1 298.386 3.470 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCC1CCOCC1 ZINC000120514034 287130521 /nfs/dbraw/zinc/13/05/21/287130521.db2.gz FIIVATHUVUDFMJ-AWEZNQCLSA-N 1 1 272.392 3.368 20 30 CGEDMO Cc1nsc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C#N ZINC000285769814 196393412 /nfs/dbraw/zinc/39/34/12/196393412.db2.gz WAXHSFHOFPGQLE-CQSZACIVSA-N 1 1 298.415 3.010 20 30 CGEDMO CC[N@H+]1CCC[C@H](Nc2c(C#N)cnc3ccccc32)C1 ZINC000048505747 416453493 /nfs/dbraw/zinc/45/34/93/416453493.db2.gz LIPQROCBZJYFAE-AWEZNQCLSA-N 1 1 280.375 3.003 20 30 CGEDMO C=C(C)CN[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000679937971 543669526 /nfs/dbraw/zinc/66/95/26/543669526.db2.gz LLUXRSPKGMJSKT-QGZVFWFLSA-N 1 1 258.409 3.379 20 30 CGEDMO Cc1noc(C)c1[C@@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC000680380032 543706737 /nfs/dbraw/zinc/70/67/37/543706737.db2.gz CGWWBVBAVKWMCL-LLVKDONJSA-N 1 1 272.323 3.133 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CN(CC)c2ccccc2O1 ZINC000681398605 543786445 /nfs/dbraw/zinc/78/64/45/543786445.db2.gz LJNNDZZGXPYTEA-OAHLLOKOSA-N 1 1 274.408 3.172 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000681022618 543758534 /nfs/dbraw/zinc/75/85/34/543758534.db2.gz PJDJARYMQJERCE-AWEZNQCLSA-N 1 1 297.402 3.399 20 30 CGEDMO C[N@@H+](Cc1ccc2c[nH]nc2c1)Cc1cccc(C#N)c1 ZINC000130752372 287362050 /nfs/dbraw/zinc/36/20/50/287362050.db2.gz KZICYAPMTOZVMA-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000681779246 543808437 /nfs/dbraw/zinc/80/84/37/543808437.db2.gz BRJAHSVQIMQJIU-OAHLLOKOSA-N 1 1 269.392 3.324 20 30 CGEDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1Nc1cccc(OCCCC#N)c1 ZINC000346537235 225834521 /nfs/dbraw/zinc/83/45/21/225834521.db2.gz CHLSSQHQWDVFNM-KSSFIOAISA-N 1 1 299.418 3.264 20 30 CGEDMO COc1ccc2c(c1)CCC[N@H+](CC#Cc1ccccc1)C2 ZINC000683007140 543888092 /nfs/dbraw/zinc/88/80/92/543888092.db2.gz ZYLKQDUFSCTXOZ-UHFFFAOYSA-N 1 1 291.394 3.495 20 30 CGEDMO COCC[N@@H+](CCC(C)(C)C#N)[C@H]1CC[C@@H](C)C1 ZINC000347126307 226036173 /nfs/dbraw/zinc/03/61/73/226036173.db2.gz SGYAHAWFAGFBRZ-KGLIPLIRSA-N 1 1 252.402 3.063 20 30 CGEDMO COCC[N@@H+](CCC(C)(C)C#N)[C@H]1CC[C@H](C)C1 ZINC000347126306 226036209 /nfs/dbraw/zinc/03/62/09/226036209.db2.gz SGYAHAWFAGFBRZ-KBPBESRZSA-N 1 1 252.402 3.063 20 30 CGEDMO COc1ccc(C[NH2+]Cc2ccc(C#N)o2)cc1Cl ZINC000132364106 287402221 /nfs/dbraw/zinc/40/22/21/287402221.db2.gz ZRDGDPGZRCXHJH-UHFFFAOYSA-N 1 1 276.723 3.103 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1oc(C)nc1C ZINC000685571788 544085565 /nfs/dbraw/zinc/08/55/65/544085565.db2.gz VNEZZUIJLMGPHV-UHFFFAOYSA-N 1 1 260.337 3.115 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000367133703 227149585 /nfs/dbraw/zinc/14/95/85/227149585.db2.gz PHWIOKKLTYTNRU-UHFFFAOYSA-N 1 1 264.328 3.441 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCC=C(c2ccco2)C1 ZINC000367133703 227149588 /nfs/dbraw/zinc/14/95/88/227149588.db2.gz PHWIOKKLTYTNRU-UHFFFAOYSA-N 1 1 264.328 3.441 20 30 CGEDMO N#CC1CC[NH+](Cc2cc(-c3ccc(F)cc3)no2)CC1 ZINC000336630296 227222651 /nfs/dbraw/zinc/22/26/51/227222651.db2.gz OVQPELKHGJWGHT-UHFFFAOYSA-N 1 1 285.322 3.216 20 30 CGEDMO C=CCCCCCNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000654429014 418973717 /nfs/dbraw/zinc/97/37/17/418973717.db2.gz FCCCNKRMASAKKW-INIZCTEOSA-N 1 1 295.471 3.152 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1cc(C)nc(C)n1 ZINC000659856757 419015078 /nfs/dbraw/zinc/01/50/78/419015078.db2.gz HCHDWEBJHUBDKQ-UHFFFAOYSA-N 1 1 281.403 3.324 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CC[C@@H](c3ccccc3C)C2)nn1 ZINC000653534041 419043887 /nfs/dbraw/zinc/04/38/87/419043887.db2.gz VXLJIWBXIPRYCW-MRXNPFEDSA-N 1 1 296.418 3.152 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CCc3ccccc3[C@@H]2CC)nn1 ZINC000653556694 419046573 /nfs/dbraw/zinc/04/65/73/419046573.db2.gz DCXWCLWSKVYZAC-SFHVURJKSA-N 1 1 296.418 3.364 20 30 CGEDMO C=CCCn1cc(C[N@H+]2CCc3ccccc3[C@@H]2CC)nn1 ZINC000653556694 419046574 /nfs/dbraw/zinc/04/65/74/419046574.db2.gz DCXWCLWSKVYZAC-SFHVURJKSA-N 1 1 296.418 3.364 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)[C@H]1COC(C)(C)C1 ZINC000659816865 418998592 /nfs/dbraw/zinc/99/85/92/418998592.db2.gz VUVGXJSODIGOCK-GFCCVEGCSA-N 1 1 251.395 3.304 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000653812360 419091047 /nfs/dbraw/zinc/09/10/47/419091047.db2.gz JUXMVPGTTCWOGA-SFHVURJKSA-N 1 1 269.388 3.072 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@H](CCC)c2ccccc2)nn1 ZINC000653598308 419057749 /nfs/dbraw/zinc/05/77/49/419057749.db2.gz VDILNAXWVPZWDT-QGZVFWFLSA-N 1 1 284.407 3.485 20 30 CGEDMO C=CCCn1cc(C[N@@H+](C)CC2(c3ccccc3)CC2)nn1 ZINC000653633245 419062331 /nfs/dbraw/zinc/06/23/31/419062331.db2.gz VXXNRYHJMDTTGE-UHFFFAOYSA-N 1 1 296.418 3.018 20 30 CGEDMO C=CCCn1cc(C[N@H+](C)CC2(c3ccccc3)CC2)nn1 ZINC000653633245 419062334 /nfs/dbraw/zinc/06/23/34/419062334.db2.gz VXXNRYHJMDTTGE-UHFFFAOYSA-N 1 1 296.418 3.018 20 30 CGEDMO C=CCC[N@H+](C)Cc1cn(-c2ccccc2F)nc1C ZINC000656257497 419159098 /nfs/dbraw/zinc/15/90/98/419159098.db2.gz JJNFQAJBPAEEEO-UHFFFAOYSA-N 1 1 273.355 3.328 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C[C@@H](C)O)C2CC2)cc1Cl ZINC000656278464 419165401 /nfs/dbraw/zinc/16/54/01/419165401.db2.gz HKKHWAMABWVJNY-GFCCVEGCSA-N 1 1 295.810 3.250 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(F)cc1C)[C@@H](C)COC ZINC000661241323 419244502 /nfs/dbraw/zinc/24/45/02/419244502.db2.gz VTVKVUJLZZEXDL-ZDUSSCGKSA-N 1 1 251.345 3.157 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@H](C)c2nnnn2-c2ccccc2)C1 ZINC000661379156 419255201 /nfs/dbraw/zinc/25/52/01/419255201.db2.gz VFZABCHZLSIIBT-HUUCEWRRSA-N 1 1 297.406 3.011 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@H](C)C(=O)N2CCCCCC2)C1 ZINC000661378910 419255947 /nfs/dbraw/zinc/25/59/47/419255947.db2.gz OGTCVLRJJBDSBQ-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2nc(-c3cc(C)ccn3)no2)C1 ZINC000661384989 419256316 /nfs/dbraw/zinc/25/63/16/419256316.db2.gz MSPFZZITNTXUKJ-AWEZNQCLSA-N 1 1 298.390 3.228 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2nc(-c3cc(C)ccn3)no2)C1 ZINC000661384997 419257217 /nfs/dbraw/zinc/25/72/17/419257217.db2.gz MSPFZZITNTXUKJ-CQSZACIVSA-N 1 1 298.390 3.228 20 30 CGEDMO C[C@@H](CO)[C@H]1CCCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000661432479 419259043 /nfs/dbraw/zinc/25/90/43/419259043.db2.gz BMYPLVYIXOZXRU-WMLDXEAASA-N 1 1 291.822 3.174 20 30 CGEDMO C=CCCCCNC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000661033817 419223017 /nfs/dbraw/zinc/22/30/17/419223017.db2.gz LMYPSJAJGWXESE-HNNXBMFYSA-N 1 1 293.455 3.049 20 30 CGEDMO C=CC[N@H+](Cc1cccc(NC(C)=O)c1)C(C)(C)C ZINC000661756047 419294697 /nfs/dbraw/zinc/29/46/97/419294697.db2.gz ARJTYDVVPUYZDL-UHFFFAOYSA-N 1 1 260.381 3.432 20 30 CGEDMO C=CCOc1cccc(CN[C@@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000657561133 419305442 /nfs/dbraw/zinc/30/54/42/419305442.db2.gz FJRTWHRIRVABOT-MRXNPFEDSA-N 1 1 288.435 3.214 20 30 CGEDMO C=CCOc1cccc(C[NH2+][C@@H]2CCN(C(C)(C)C)C2)c1 ZINC000657561133 419305445 /nfs/dbraw/zinc/30/54/45/419305445.db2.gz FJRTWHRIRVABOT-MRXNPFEDSA-N 1 1 288.435 3.214 20 30 CGEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CC[C@H]3C[C@H]3C2)cc1 ZINC000661969549 419317715 /nfs/dbraw/zinc/31/77/15/419317715.db2.gz CETIFHKGPDPXHA-KBPBESRZSA-N 1 1 279.305 3.399 20 30 CGEDMO Cc1cccc2nc(C[NH2+]C3CCC(C)(C#N)CC3)[nH]c21 ZINC000336207072 228213775 /nfs/dbraw/zinc/21/37/75/228213775.db2.gz RTSBSAUOWMKPPU-UHFFFAOYSA-N 1 1 282.391 3.433 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000298336099 260150539 /nfs/dbraw/zinc/15/05/39/260150539.db2.gz QMXAADSNECHUKN-HNNXBMFYSA-N 1 1 257.333 3.001 20 30 CGEDMO COc1cccc(C[N@@H+](C)CCCC(C)(C)C#N)c1 ZINC000087608531 260215577 /nfs/dbraw/zinc/21/55/77/260215577.db2.gz GAXYZMZQXMOVPL-UHFFFAOYSA-N 1 1 260.381 3.457 20 30 CGEDMO C[N@@H+](CCCSCC#N)CCOc1ccc(Cl)cc1 ZINC000080626818 260317214 /nfs/dbraw/zinc/31/72/14/260317214.db2.gz PZJFBGPXIPCJNA-UHFFFAOYSA-N 1 1 298.839 3.297 20 30 CGEDMO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1CCCC(C)(C)C#N ZINC000125902472 260344928 /nfs/dbraw/zinc/34/49/28/260344928.db2.gz FNTWOJZFFDCNIE-ZDUSSCGKSA-N 1 1 280.412 3.122 20 30 CGEDMO C[N@@H+](CCCCC(C)(C)C#N)CCc1ccccn1 ZINC000234271886 260345416 /nfs/dbraw/zinc/34/54/16/260345416.db2.gz JURPDXWSPCAJPG-UHFFFAOYSA-N 1 1 259.397 3.276 20 30 CGEDMO C[C@H]1C[C@H](Nc2cccc(OCCCC#N)c2)CC[N@H+]1C ZINC000127967170 260371091 /nfs/dbraw/zinc/37/10/91/260371091.db2.gz FUZKUOCAYYOSFU-GOEBONIOSA-N 1 1 287.407 3.264 20 30 CGEDMO CC(C)[N@@H+](CCCC(C)(C)C#N)C1CCOCC1 ZINC000174871960 261198233 /nfs/dbraw/zinc/19/82/33/261198233.db2.gz XFXLNJMQHSUKAE-UHFFFAOYSA-N 1 1 252.402 3.206 20 30 CGEDMO C=CCOc1ccc(C[NH2+][C@H](CC)CC#N)cc1OC ZINC000184091889 262008389 /nfs/dbraw/zinc/00/83/89/262008389.db2.gz CVYBBGQUVYCHOJ-CQSZACIVSA-N 1 1 274.364 3.042 20 30 CGEDMO N#CCC[N@@H+](C[C@@H](O)c1ccc(F)cc1Cl)CC1CC1 ZINC000187113671 262123843 /nfs/dbraw/zinc/12/38/43/262123843.db2.gz VNXONQNAZQQMMW-OAHLLOKOSA-N 1 1 296.773 3.138 20 30 CGEDMO N#CCC[N@H+](C[C@@H](O)c1ccc(F)cc1Cl)CC1CC1 ZINC000187113671 262123845 /nfs/dbraw/zinc/12/38/45/262123845.db2.gz VNXONQNAZQQMMW-OAHLLOKOSA-N 1 1 296.773 3.138 20 30 CGEDMO CCc1ccc([C@@H]2C[N@H+](CCCCC#N)CCO2)cc1 ZINC000190336484 262182095 /nfs/dbraw/zinc/18/20/95/262182095.db2.gz KIERBRJUGRFTBO-KRWDZBQOSA-N 1 1 272.392 3.316 20 30 CGEDMO CCc1ccc([C@@H]2C[N@@H+](CCCCC#N)CCO2)cc1 ZINC000190336484 262182097 /nfs/dbraw/zinc/18/20/97/262182097.db2.gz KIERBRJUGRFTBO-KRWDZBQOSA-N 1 1 272.392 3.316 20 30 CGEDMO CCc1ccc([C@H]2C[N@H+](CCCCC#N)CCO2)cc1 ZINC000190336495 262182192 /nfs/dbraw/zinc/18/21/92/262182192.db2.gz KIERBRJUGRFTBO-QGZVFWFLSA-N 1 1 272.392 3.316 20 30 CGEDMO CCc1ccc([C@H]2C[N@@H+](CCCCC#N)CCO2)cc1 ZINC000190336495 262182193 /nfs/dbraw/zinc/18/21/93/262182193.db2.gz KIERBRJUGRFTBO-QGZVFWFLSA-N 1 1 272.392 3.316 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)Cc1cc2ccccc2[nH]c1=O ZINC000111250147 262258503 /nfs/dbraw/zinc/25/85/03/262258503.db2.gz YGWTUPHSJORIES-UHFFFAOYSA-N 1 1 297.402 3.290 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1cc2ccccc2[nH]c1=O ZINC000111250147 262258505 /nfs/dbraw/zinc/25/85/05/262258505.db2.gz YGWTUPHSJORIES-UHFFFAOYSA-N 1 1 297.402 3.290 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@](C)(F)C2)cc1OC ZINC000355357862 262364444 /nfs/dbraw/zinc/36/44/44/262364444.db2.gz VZUXYQLPWQQBOI-INIZCTEOSA-N 1 1 279.355 3.194 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@](C)(F)C2)cc1OC ZINC000355357862 262364445 /nfs/dbraw/zinc/36/44/45/262364445.db2.gz VZUXYQLPWQQBOI-INIZCTEOSA-N 1 1 279.355 3.194 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000365432004 262365126 /nfs/dbraw/zinc/36/51/26/262365126.db2.gz KRHMCXPLLGPRQM-LSDHHAIUSA-N 1 1 264.413 3.207 20 30 CGEDMO C[C@H](C#N)C[N@H+](CCSc1ccccc1)C1CC1 ZINC000338349866 262525517 /nfs/dbraw/zinc/52/55/17/262525517.db2.gz ODMHMFSHERAVFW-CYBMUJFWSA-N 1 1 260.406 3.403 20 30 CGEDMO C[C@H](C#N)C[N@@H+](CCSc1ccccc1)C1CC1 ZINC000338349866 262525519 /nfs/dbraw/zinc/52/55/19/262525519.db2.gz ODMHMFSHERAVFW-CYBMUJFWSA-N 1 1 260.406 3.403 20 30 CGEDMO C[C@@H](C#N)C[N@H+](C)CCc1ccc2ccccc2c1 ZINC000265243755 262905317 /nfs/dbraw/zinc/90/53/17/262905317.db2.gz RRDSOCHCDCLBLY-AWEZNQCLSA-N 1 1 252.361 3.474 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C)CCc1ccc2ccccc2c1 ZINC000265243755 262905319 /nfs/dbraw/zinc/90/53/19/262905319.db2.gz RRDSOCHCDCLBLY-AWEZNQCLSA-N 1 1 252.361 3.474 20 30 CGEDMO CC(C)(C#N)CC[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000272008525 263001103 /nfs/dbraw/zinc/00/11/03/263001103.db2.gz JWJZUSJSCDLEAT-UHFFFAOYSA-N 1 1 267.376 3.466 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000272008525 263001104 /nfs/dbraw/zinc/00/11/04/263001104.db2.gz JWJZUSJSCDLEAT-UHFFFAOYSA-N 1 1 267.376 3.466 20 30 CGEDMO CC[C@@H](O)C[N@@H+](CCC(C)(C)C#N)Cc1ccccc1 ZINC000272034162 263001555 /nfs/dbraw/zinc/00/15/55/263001555.db2.gz PQRYVYFYKYVDBU-MRXNPFEDSA-N 1 1 274.408 3.199 20 30 CGEDMO C[N@@H+](CCC(C)(C)C#N)Cc1cc(F)c(F)c(F)c1 ZINC000272295898 263003269 /nfs/dbraw/zinc/00/32/69/263003269.db2.gz SWIGIDXGQARPNR-UHFFFAOYSA-N 1 1 270.298 3.476 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000272534116 263005910 /nfs/dbraw/zinc/00/59/10/263005910.db2.gz IVEHAXVYRHCVLC-OAHLLOKOSA-N 1 1 272.392 3.327 20 30 CGEDMO Cc1ccccc1OCCC[N@H+](C)[C@@H](C)CCC#N ZINC000276342690 263036385 /nfs/dbraw/zinc/03/63/85/263036385.db2.gz UMFKZPFPKSBPKD-HNNXBMFYSA-N 1 1 260.381 3.388 20 30 CGEDMO C[C@@H](CCC#N)[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000276328918 263036405 /nfs/dbraw/zinc/03/64/05/263036405.db2.gz QRSKESVKIOVCGQ-ZDUSSCGKSA-N 1 1 277.799 3.154 20 30 CGEDMO N#C[C@H]1CC[C@H]([N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000278753161 263050662 /nfs/dbraw/zinc/05/06/62/263050662.db2.gz XIIIXKWYIQLSJK-AAEUAGOBSA-N 1 1 260.768 3.390 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)cc1 ZINC000438371421 263055060 /nfs/dbraw/zinc/05/50/60/263055060.db2.gz FWGJMDGSJAAMKF-ZNMIVQPWSA-N 1 1 275.392 3.249 20 30 CGEDMO C[C@@H](c1ccncc1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000281151134 263066791 /nfs/dbraw/zinc/06/67/91/263066791.db2.gz BHPZUMSKTBSXGA-HNNXBMFYSA-N 1 1 287.407 3.175 20 30 CGEDMO Cc1cc(C[N@H+](CCC#N)CC2CC2)cc(C)c1O ZINC000289416918 263110147 /nfs/dbraw/zinc/11/01/47/263110147.db2.gz UHKSLXYROOIYOR-UHFFFAOYSA-N 1 1 258.365 3.135 20 30 CGEDMO Cc1cc(C[N@@H+](CCC#N)CC2CC2)cc(C)c1O ZINC000289416918 263110148 /nfs/dbraw/zinc/11/01/48/263110148.db2.gz UHKSLXYROOIYOR-UHFFFAOYSA-N 1 1 258.365 3.135 20 30 CGEDMO CCCC[N@@H+](C)C[C@H](C)N=Cc1cc2ccccc2[nH]c1=O ZINC000289963482 263113513 /nfs/dbraw/zinc/11/35/13/263113513.db2.gz QHTDFPASAATSTA-BXUJETTOSA-N 1 1 299.418 3.480 20 30 CGEDMO Cn1cccc1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000367472111 263135996 /nfs/dbraw/zinc/13/59/96/263135996.db2.gz CXZVIZAVJOYKGT-MSOLQXFVSA-N 1 1 279.387 3.297 20 30 CGEDMO Cn1cccc1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000367472111 263135997 /nfs/dbraw/zinc/13/59/97/263135997.db2.gz CXZVIZAVJOYKGT-MSOLQXFVSA-N 1 1 279.387 3.297 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)C1 ZINC000293147534 263138342 /nfs/dbraw/zinc/13/83/42/263138342.db2.gz UBRJTOALGSQGPX-XNRPHZJLSA-N 1 1 290.794 3.485 20 30 CGEDMO COc1cc2c(cc1Cl)C[N@@H+]([C@@H]1CC[C@@H](C#N)C1)CC2 ZINC000293260901 263139068 /nfs/dbraw/zinc/13/90/68/263139068.db2.gz UKACUEZDQDUQOG-BXUZGUMPSA-N 1 1 290.794 3.399 20 30 CGEDMO COc1cc2c(cc1Cl)C[N@H+]([C@@H]1CC[C@@H](C#N)C1)CC2 ZINC000293260901 263139069 /nfs/dbraw/zinc/13/90/69/263139069.db2.gz UKACUEZDQDUQOG-BXUZGUMPSA-N 1 1 290.794 3.399 20 30 CGEDMO C[N@@H+](CCOCCC#N)Cc1cc(Cl)cc(Cl)c1 ZINC000293666950 263146358 /nfs/dbraw/zinc/14/63/58/263146358.db2.gz ZBYFAHMRRSDVEX-UHFFFAOYSA-N 1 1 287.190 3.355 20 30 CGEDMO C[C@@]1(c2ccccc2)CCC[N@@H+](CCOCCC#N)CC1 ZINC000293699128 263147505 /nfs/dbraw/zinc/14/75/05/263147505.db2.gz WZIHZJHMMGHUHS-GOSISDBHSA-N 1 1 286.419 3.360 20 30 CGEDMO CC[C@@H]1CN([C@@H]2CC[C@@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000294631397 263164956 /nfs/dbraw/zinc/16/49/56/263164956.db2.gz PIJCTWJTMAOHIC-GUDVDZBRSA-N 1 1 297.446 3.275 20 30 CGEDMO CC[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CCN1Cc1ccccc1 ZINC000294631397 263164957 /nfs/dbraw/zinc/16/49/57/263164957.db2.gz PIJCTWJTMAOHIC-GUDVDZBRSA-N 1 1 297.446 3.275 20 30 CGEDMO CC[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C#N)C2)CCN1Cc1ccccc1 ZINC000294631397 263164959 /nfs/dbraw/zinc/16/49/59/263164959.db2.gz PIJCTWJTMAOHIC-GUDVDZBRSA-N 1 1 297.446 3.275 20 30 CGEDMO CCC[N@@H+](CCc1cccs1)C[C@@H](C#N)CCC#N ZINC000299188242 263234475 /nfs/dbraw/zinc/23/44/75/263234475.db2.gz CEZUDRQFUWZNTN-CQSZACIVSA-N 1 1 275.421 3.446 20 30 CGEDMO C[C@@H]([NH2+][C@@H](C)CCC#N)c1nc(-c2cccc(F)c2)no1 ZINC000299224240 263235575 /nfs/dbraw/zinc/23/55/75/263235575.db2.gz ICJLUNXHLIPHCT-WDEREUQCSA-N 1 1 288.326 3.219 20 30 CGEDMO COCc1ccc([C@H]2CCC[N@H+]2[C@H](C)CCC#N)o1 ZINC000299241745 263236365 /nfs/dbraw/zinc/23/63/65/263236365.db2.gz JEHMHHCRHZKSEW-TZMCWYRMSA-N 1 1 262.353 3.255 20 30 CGEDMO C[C@H]([NH2+]CCC#N)c1ccc(OCC(F)(F)F)cc1 ZINC000299490464 263243586 /nfs/dbraw/zinc/24/35/86/263243586.db2.gz AQHSQONEROVHNL-JTQLQIEISA-N 1 1 272.270 3.192 20 30 CGEDMO CC[N@@H+](Cc1ccc(C(=O)NC2(C#N)CCC2)cc1)C(C)C ZINC000299632432 263249925 /nfs/dbraw/zinc/24/99/25/263249925.db2.gz GWNNLRWAEDWITO-UHFFFAOYSA-N 1 1 299.418 3.093 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+](C)CCc2ccccn2)cc1 ZINC000120779322 263289092 /nfs/dbraw/zinc/28/90/92/263289092.db2.gz GPBWQLHQGMPCLP-UHFFFAOYSA-N 1 1 294.398 3.158 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000341096756 263321599 /nfs/dbraw/zinc/32/15/99/263321599.db2.gz AASAQHPTLNIANJ-CVEARBPZSA-N 1 1 275.440 3.419 20 30 CGEDMO C=CC[C@@H](C)[C@H](C)[NH2+]C1CCN(C2CCC2)CC1 ZINC000341472124 263341037 /nfs/dbraw/zinc/34/10/37/263341037.db2.gz ACGHCJPVYNKAAZ-KGLIPLIRSA-N 1 1 250.430 3.194 20 30 CGEDMO C=CC[C@@H](CC)NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000341646604 263345665 /nfs/dbraw/zinc/34/56/65/263345665.db2.gz HSLPJRRPFDFWGF-CABCVRRESA-N 1 1 294.826 3.414 20 30 CGEDMO C=C1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccccc2C)CC1 ZINC000341992067 263382192 /nfs/dbraw/zinc/38/21/92/263382192.db2.gz HZKCFTKGBLXKFM-JKSUJKDBSA-N 1 1 286.419 3.213 20 30 CGEDMO C=CCC[N@@H+](C)Cc1cc2c(cc1Br)OCO2 ZINC000342728702 263481064 /nfs/dbraw/zinc/48/10/64/263481064.db2.gz IOMCJNYAIHZFRP-UHFFFAOYSA-N 1 1 298.180 3.186 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc2c(cc1Br)OCO2 ZINC000342728702 263481067 /nfs/dbraw/zinc/48/10/67/263481067.db2.gz IOMCJNYAIHZFRP-UHFFFAOYSA-N 1 1 298.180 3.186 20 30 CGEDMO CCCO[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000160108091 264231965 /nfs/dbraw/zinc/23/19/65/264231965.db2.gz MMEKRFIGISSQTL-GOSISDBHSA-N 1 1 289.394 3.458 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000128104388 264273203 /nfs/dbraw/zinc/27/32/03/264273203.db2.gz ANORJMUSISCSGF-AEFFLSMTSA-N 1 1 287.403 3.252 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000253355202 264332435 /nfs/dbraw/zinc/33/24/35/264332435.db2.gz DWRAEZGRLSIWRH-RDJZCZTQSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)COc1cc(C[N@H+](C)CCOCC)ccc1OC ZINC000181492012 264462301 /nfs/dbraw/zinc/46/23/01/264462301.db2.gz CWQXQHDTMADYND-UHFFFAOYSA-N 1 1 293.407 3.118 20 30 CGEDMO N#CC1(C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)CC1 ZINC000343321719 264816801 /nfs/dbraw/zinc/81/68/01/264816801.db2.gz ONXVPOAGBDJDJY-KRWDZBQOSA-N 1 1 284.403 3.014 20 30 CGEDMO N#CC1(C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)CC1 ZINC000343321719 264816807 /nfs/dbraw/zinc/81/68/07/264816807.db2.gz ONXVPOAGBDJDJY-KRWDZBQOSA-N 1 1 284.403 3.014 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000335103231 265094333 /nfs/dbraw/zinc/09/43/33/265094333.db2.gz LZBABTVYSXHVHK-GOEBONIOSA-N 1 1 290.451 3.064 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000186187947 270065118 /nfs/dbraw/zinc/06/51/18/270065118.db2.gz JJBCDIPHNMZBTK-CYBMUJFWSA-N 1 1 294.354 3.480 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc3c(c2)OCCCCO3)CCC1 ZINC000514591057 266009589 /nfs/dbraw/zinc/00/95/89/266009589.db2.gz WRIDRYINHCEEDI-UHFFFAOYSA-N 1 1 286.375 3.021 20 30 CGEDMO CC[N@@H+](CCCOCCc1ccccc1)C[C@@H](C)C#N ZINC000356480753 266123363 /nfs/dbraw/zinc/12/33/63/266123363.db2.gz SULMPPMQBDUIMU-INIZCTEOSA-N 1 1 274.408 3.117 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000357034749 266236999 /nfs/dbraw/zinc/23/69/99/266236999.db2.gz JDTHGTPTBHNGKB-UHFFFAOYSA-N 1 1 271.360 3.123 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000357046140 266238184 /nfs/dbraw/zinc/23/81/84/266238184.db2.gz UNWKHTPOMFVGCN-HOTGVXAUSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OCC(F)(F)F)nc1)C1CC1 ZINC000357548228 266320486 /nfs/dbraw/zinc/32/04/86/266320486.db2.gz BYXTVFOXYXKKQH-UHFFFAOYSA-N 1 1 286.297 3.173 20 30 CGEDMO CC[C@@H]1C[C@@H](C)C[N@H+]1CCOc1ccccc1C#N ZINC000399742632 266385353 /nfs/dbraw/zinc/38/53/53/266385353.db2.gz JMQZVEXSQLHVLB-UKRRQHHQSA-N 1 1 258.365 3.057 20 30 CGEDMO CC[C@H]1C[C@@H](C)C[N@H+]1CCOc1ccc(C#N)cc1 ZINC000399720766 266427102 /nfs/dbraw/zinc/42/71/02/266427102.db2.gz COWOJFUEEMQIHL-HIFRSBDPSA-N 1 1 258.365 3.057 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]C/C=C/c1ccc(F)cc1F ZINC000358278346 266447328 /nfs/dbraw/zinc/44/73/28/266447328.db2.gz MHHOXAYXNLGZGC-OOPCZODUSA-N 1 1 250.292 3.260 20 30 CGEDMO CC#CCC[N@@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000368139748 267147800 /nfs/dbraw/zinc/14/78/00/267147800.db2.gz URSCBTDLEYSYRM-HNNXBMFYSA-N 1 1 295.329 3.075 20 30 CGEDMO CC#CCC[N@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000368139748 267147801 /nfs/dbraw/zinc/14/78/01/267147801.db2.gz URSCBTDLEYSYRM-HNNXBMFYSA-N 1 1 295.329 3.075 20 30 CGEDMO C[C@H](CN1CCCCCC1)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000186726993 267155349 /nfs/dbraw/zinc/15/53/49/267155349.db2.gz NTYZEFCHVLVQJH-CVEARBPZSA-N 1 1 285.435 3.473 20 30 CGEDMO CC(C)(C#N)CCCN1CCC[N@H+](C2CCCC2)CC1 ZINC000370000930 267281605 /nfs/dbraw/zinc/28/16/05/267281605.db2.gz FTYLQLHBDFGLFS-UHFFFAOYSA-N 1 1 277.456 3.267 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000371062049 267348551 /nfs/dbraw/zinc/34/85/51/267348551.db2.gz ADNZLRYFXMUKAH-HNNXBMFYSA-N 1 1 264.413 3.065 20 30 CGEDMO N#CCCCOc1cccc(C[NH2+]CC2(C#N)CCC2)c1 ZINC000418140130 267362375 /nfs/dbraw/zinc/36/23/75/267362375.db2.gz IOPUIGYFBIZROC-UHFFFAOYSA-N 1 1 283.375 3.153 20 30 CGEDMO COc1ccc(C(C)(C)[NH2+]Cc2ccc(C#N)o2)cc1F ZINC000527781215 267621551 /nfs/dbraw/zinc/62/15/51/267621551.db2.gz JTFOAXLMIGLTHA-UHFFFAOYSA-N 1 1 288.322 3.324 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@H](OC)CC2)cc1 ZINC000377246804 268060204 /nfs/dbraw/zinc/06/02/04/268060204.db2.gz WPRXHZRABGMQDO-KRWDZBQOSA-N 1 1 287.403 3.090 20 30 CGEDMO COc1ccc2c(c1)CC[N@H+](Cc1cc(C#N)cs1)CC2 ZINC000439772104 274123119 /nfs/dbraw/zinc/12/31/19/274123119.db2.gz VSZPSFNOBQXEGC-UHFFFAOYSA-N 1 1 298.411 3.229 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2cc(C#N)ccn2)C1 ZINC000376176943 274286533 /nfs/dbraw/zinc/28/65/33/274286533.db2.gz ZCWDCLILDOZHIC-NVXWUHKLSA-N 1 1 298.434 3.044 20 30 CGEDMO CC1=C[C@@H](C)C[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000336519078 276184043 /nfs/dbraw/zinc/18/40/43/276184043.db2.gz NZMVHUUZRRHYAZ-ABAIWWIYSA-N 1 1 269.348 3.033 20 30 CGEDMO CC1=C[C@@H](C)C[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000336519078 276184044 /nfs/dbraw/zinc/18/40/44/276184044.db2.gz NZMVHUUZRRHYAZ-ABAIWWIYSA-N 1 1 269.348 3.033 20 30 CGEDMO CSCC[C@@H](C)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000121271910 278130966 /nfs/dbraw/zinc/13/09/66/278130966.db2.gz MXDDHYFXGRXUIL-LLVKDONJSA-N 1 1 266.385 3.271 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000442676811 278309518 /nfs/dbraw/zinc/30/95/18/278309518.db2.gz BLFQTALCUHPJQC-JLSDUUJJSA-N 1 1 284.403 3.368 20 30 CGEDMO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccn(C)n1 ZINC000334869572 278383299 /nfs/dbraw/zinc/38/32/99/278383299.db2.gz YRLYAVISHMEYPS-PXAZEXFGSA-N 1 1 280.375 3.020 20 30 CGEDMO C[C@H](C[NH+]1CCCCC1)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271967874 279303275 /nfs/dbraw/zinc/30/32/75/279303275.db2.gz VZJFGPQZAMJJAV-KGLIPLIRSA-N 1 1 289.398 3.222 20 30 CGEDMO C[C@H](CN[C@@H](C)c1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000038028469 279348322 /nfs/dbraw/zinc/34/83/22/279348322.db2.gz DCHPXQDIQLSCTQ-CABCVRRESA-N 1 1 271.408 3.083 20 30 CGEDMO C[C@H]1[N@@H+](CC#Cc2ccc(F)cc2)CCC12CCOCC2 ZINC000335997490 280037368 /nfs/dbraw/zinc/03/73/68/280037368.db2.gz IMQJVPWMAIAKBK-OAHLLOKOSA-N 1 1 287.378 3.068 20 30 CGEDMO Cc1cc(C#N)cc(N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)n1 ZINC000341724987 280313661 /nfs/dbraw/zinc/31/36/61/280313661.db2.gz CMMXGLXEGMJODB-HLLBOEOZSA-N 1 1 298.434 3.103 20 30 CGEDMO N#CCC[NH2+]C[C@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000563010163 327754273 /nfs/dbraw/zinc/75/42/73/327754273.db2.gz CJHVWSDBECSIDC-HNNXBMFYSA-N 1 1 278.783 3.311 20 30 CGEDMO COc1ccc(C[NH2+]CC2(C#N)CCC2)cc1Cl ZINC000258965280 328130606 /nfs/dbraw/zinc/13/06/06/328130606.db2.gz SFSJRZVEGMYWRB-UHFFFAOYSA-N 1 1 264.756 3.132 20 30 CGEDMO C[C@H](c1ccsc1)[NH+]1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000278539773 328226651 /nfs/dbraw/zinc/22/66/51/328226651.db2.gz GEVOEUFHRLMJMY-FMKPAKJESA-N 1 1 289.448 3.119 20 30 CGEDMO COc1cc(C)c(C[N@@H+](C)[C@H]2CC[C@@H](C#N)C2)cc1OC ZINC000278595929 328227791 /nfs/dbraw/zinc/22/77/91/328227791.db2.gz LOQVKAGGCRXKAS-HIFRSBDPSA-N 1 1 288.391 3.136 20 30 CGEDMO C[N@@H+](CCOc1ccc(Cl)cc1)[C@@H]1CC[C@H](C#N)C1 ZINC000278604533 328228131 /nfs/dbraw/zinc/22/81/31/328228131.db2.gz MBPIJQGBBXLKAN-GXTWGEPZSA-N 1 1 278.783 3.343 20 30 CGEDMO CC1(C)C[N@H+]([C@@H]2CC[C@@H](C#N)C2)CCN1Cc1ccccc1 ZINC000293158142 328274583 /nfs/dbraw/zinc/27/45/83/328274583.db2.gz RIVLKMJXWOGDFN-QZTJIDSGSA-N 1 1 297.446 3.275 20 30 CGEDMO CC1(C)CN([C@@H]2CC[C@@H](C#N)C2)CC[N@@H+]1Cc1ccccc1 ZINC000293158142 328274584 /nfs/dbraw/zinc/27/45/84/328274584.db2.gz RIVLKMJXWOGDFN-QZTJIDSGSA-N 1 1 297.446 3.275 20 30 CGEDMO CC1(C)CN([C@@H]2CC[C@@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000293158142 328274585 /nfs/dbraw/zinc/27/45/85/328274585.db2.gz RIVLKMJXWOGDFN-QZTJIDSGSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1C[C@@H](Nc2c(Cl)cccc2C#N)C[N@H+]1C1CC1 ZINC000565984621 322099790 /nfs/dbraw/zinc/09/97/90/322099790.db2.gz XUTJWLSRXJJKOL-ZYHUDNBSSA-N 1 1 275.783 3.249 20 30 CGEDMO CCCC[N@@H+](C)C[C@@H](C)Nc1ncc(Cl)c(C)c1C#N ZINC000568576338 322213875 /nfs/dbraw/zinc/21/38/75/322213875.db2.gz LEVKQDPFRQQZBZ-LLVKDONJSA-N 1 1 294.830 3.447 20 30 CGEDMO N#Cc1ncccc1NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000570016090 322262933 /nfs/dbraw/zinc/26/29/33/322262933.db2.gz JJJWMUOBHSMNEN-OAHLLOKOSA-N 1 1 284.407 3.162 20 30 CGEDMO N#CCSCCC[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000074991181 327122817 /nfs/dbraw/zinc/12/28/17/327122817.db2.gz PGJHHCSGHMDRSZ-OAHLLOKOSA-N 1 1 292.423 3.337 20 30 CGEDMO C[N@@H+](CCCOc1ccc(F)cc1)CCCSCC#N ZINC000074981549 327122927 /nfs/dbraw/zinc/12/29/27/327122927.db2.gz VQNTWUHJKPWKDR-UHFFFAOYSA-N 1 1 296.411 3.173 20 30 CGEDMO COC(=O)c1sccc1C[NH+]1CCC(CCC#N)CC1 ZINC000566174253 327155529 /nfs/dbraw/zinc/15/55/29/327155529.db2.gz QYSYZXVBAVZCJU-UHFFFAOYSA-N 1 1 292.404 3.050 20 30 CGEDMO C[C@@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)[C@H]1C ZINC000559349371 327163455 /nfs/dbraw/zinc/16/34/55/327163455.db2.gz AIUNDTATQGRXMN-NEPJUHHUSA-N 1 1 283.293 3.277 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000569435394 327176222 /nfs/dbraw/zinc/17/62/22/327176222.db2.gz RHCLOPZQKKUNAG-OAHLLOKOSA-N 1 1 278.396 3.239 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@H](OCc2c(C)noc2C)C1 ZINC000569435393 327176313 /nfs/dbraw/zinc/17/63/13/327176313.db2.gz RHCLOPZQKKUNAG-HNNXBMFYSA-N 1 1 278.396 3.239 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[NH+]2C3CCC2CC3)c1C ZINC000531016330 327216868 /nfs/dbraw/zinc/21/68/68/327216868.db2.gz DWEWXLGBYQGUHH-UHFFFAOYSA-N 1 1 272.392 3.100 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000559400954 327243498 /nfs/dbraw/zinc/24/34/98/327243498.db2.gz TWQRUXPPLNJNTQ-ZBFHGGJFSA-N 1 1 295.810 3.120 20 30 CGEDMO C=CCNC(=O)C[N@H+](CC(C)C)[C@@H](C)c1ccccc1C ZINC000560184563 327288619 /nfs/dbraw/zinc/28/86/19/327288619.db2.gz SZTAUBOECQYVEV-INIZCTEOSA-N 1 1 288.435 3.316 20 30 CGEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1ccccc1OC ZINC000150899929 327396695 /nfs/dbraw/zinc/39/66/95/327396695.db2.gz QABNZLPOUKYWNS-UHFFFAOYSA-N 1 1 290.407 3.312 20 30 CGEDMO C[C@@H]1Cc2[nH+]cn(Cc3ccc(CC#N)cc3)c2C[C@@H]1C ZINC000399148425 328668630 /nfs/dbraw/zinc/66/86/30/328668630.db2.gz XXNTXLFGEIJDGK-KGLIPLIRSA-N 1 1 279.387 3.368 20 30 CGEDMO C=CCCC[N@H+]1Cc2ccccc2C[C@@H]1c1nnc(C)o1 ZINC000377791450 329029497 /nfs/dbraw/zinc/02/94/97/329029497.db2.gz FIFMXYTVYANBFV-MRXNPFEDSA-N 1 1 283.375 3.444 20 30 CGEDMO C=CCCC[N@@H+]1Cc2ccccc2C[C@@H]1c1nnc(C)o1 ZINC000377791450 329029499 /nfs/dbraw/zinc/02/94/99/329029499.db2.gz FIFMXYTVYANBFV-MRXNPFEDSA-N 1 1 283.375 3.444 20 30 CGEDMO CO[C@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]CCC#N ZINC000514668523 329173370 /nfs/dbraw/zinc/17/33/70/329173370.db2.gz HUTOESRBLJDWQP-MFKMUULPSA-N 1 1 297.196 3.028 20 30 CGEDMO CCCCO[C@H]1C[C@H]([N@@H+](C)CCCC#N)C1(C)C ZINC000177734835 329186565 /nfs/dbraw/zinc/18/65/65/329186565.db2.gz ULWTWZYCGKHZLN-KBPBESRZSA-N 1 1 252.402 3.206 20 30 CGEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1c(C)cccc1CC ZINC000181262452 329228556 /nfs/dbraw/zinc/22/85/56/329228556.db2.gz LKJHFUBLVSBNGU-UHFFFAOYSA-N 1 1 260.381 3.004 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)Nc1c(C)cccc1CC ZINC000181262452 329228557 /nfs/dbraw/zinc/22/85/57/329228557.db2.gz LKJHFUBLVSBNGU-UHFFFAOYSA-N 1 1 260.381 3.004 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000181291127 329229919 /nfs/dbraw/zinc/22/99/19/329229919.db2.gz AUFCEPSUNCNTTH-UHFFFAOYSA-N 1 1 277.755 3.398 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000181291127 329229921 /nfs/dbraw/zinc/22/99/21/329229921.db2.gz AUFCEPSUNCNTTH-UHFFFAOYSA-N 1 1 277.755 3.398 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@H](C(=O)N(CC)CC)c1ccccc1 ZINC000181309614 329230908 /nfs/dbraw/zinc/23/09/08/329230908.db2.gz SHQBEMSLGRNBTF-INIZCTEOSA-N 1 1 274.408 3.104 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C(=O)N(CC)CC)c1ccccc1 ZINC000181309614 329230909 /nfs/dbraw/zinc/23/09/09/329230909.db2.gz SHQBEMSLGRNBTF-INIZCTEOSA-N 1 1 274.408 3.104 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000184086370 329255717 /nfs/dbraw/zinc/25/57/17/329255717.db2.gz NJIKJGQKGDIETR-LBPRGKRZSA-N 1 1 268.307 3.112 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000582842706 329277050 /nfs/dbraw/zinc/27/70/50/329277050.db2.gz JAUQLWXSJZXOLR-SFHVURJKSA-N 1 1 296.345 3.351 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000582842706 329277053 /nfs/dbraw/zinc/27/70/53/329277053.db2.gz JAUQLWXSJZXOLR-SFHVURJKSA-N 1 1 296.345 3.351 20 30 CGEDMO CC(C)c1nnc2n1CC[N@@H+](CCCC(C)(C)C#N)[C@@H]2C ZINC000189511480 329382963 /nfs/dbraw/zinc/38/29/63/329382963.db2.gz CYEUDXTWBXUVOW-CYBMUJFWSA-N 1 1 289.427 3.108 20 30 CGEDMO CC(C)c1nnc2n1CC[N@H+](CCCC(C)(C)C#N)[C@@H]2C ZINC000189511480 329382964 /nfs/dbraw/zinc/38/29/64/329382964.db2.gz CYEUDXTWBXUVOW-CYBMUJFWSA-N 1 1 289.427 3.108 20 30 CGEDMO C=CCC(CC=C)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000123987445 329565379 /nfs/dbraw/zinc/56/53/79/329565379.db2.gz SQXXOPQSCLPEKA-UHFFFAOYSA-N 1 1 296.374 3.283 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)C[C@H]1CCCC[C@H]1O ZINC000572443843 330085421 /nfs/dbraw/zinc/08/54/21/330085421.db2.gz ICXXAEUHIFGFCB-IAGOWNOFSA-N 1 1 259.393 3.226 20 30 CGEDMO CC[C@H](CC#N)N[C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000274398242 330105737 /nfs/dbraw/zinc/10/57/37/330105737.db2.gz XHAYOAAPEHSZPB-NXHRZFHOSA-N 1 1 285.435 3.179 20 30 CGEDMO CC[C@H](CC#N)[NH2+][C@H]1C[C@@H](C)CN(Cc2ccccc2)C1 ZINC000274398242 330105738 /nfs/dbraw/zinc/10/57/38/330105738.db2.gz XHAYOAAPEHSZPB-NXHRZFHOSA-N 1 1 285.435 3.179 20 30 CGEDMO C=C(C[NH2+][C@@H](Cc1ccccc1)[C@H](C)N)c1ccccc1 ZINC000423024011 330166043 /nfs/dbraw/zinc/16/60/43/330166043.db2.gz IKEOWDVYIDAMJB-LPHOPBHVSA-N 1 1 280.415 3.248 20 30 CGEDMO C=CCC[C@H]([NH2+]CC1(N)CCCCCC1)C1CC1 ZINC000423203323 330176996 /nfs/dbraw/zinc/17/69/96/330176996.db2.gz SKWOETTVGCEAFJ-HNNXBMFYSA-N 1 1 250.430 3.373 20 30 CGEDMO C=CCc1cc(C[N@@H+]2[C@H](C)C[C@@H]2C)cc(OC)c1O ZINC000527529618 330258121 /nfs/dbraw/zinc/25/81/21/330258121.db2.gz IRQHKXDBTBHQSI-TXEJJXNPSA-N 1 1 261.365 3.112 20 30 CGEDMO CC(C)c1ncc2c(n1)CC[N@H+](CCCC(C)(C)C#N)C2 ZINC000527617904 330265628 /nfs/dbraw/zinc/26/56/28/330265628.db2.gz CKIFGDHPQPKWGD-UHFFFAOYSA-N 1 1 286.423 3.288 20 30 CGEDMO C=CCn1cc(C[NH2+][C@H]2C[C@@H](C)c3c2cccc3C)nn1 ZINC000424295421 330335823 /nfs/dbraw/zinc/33/58/23/330335823.db2.gz MSCDYSQQKQNHLB-CJNGLKHVSA-N 1 1 282.391 3.111 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000121048649 330395305 /nfs/dbraw/zinc/39/53/05/330395305.db2.gz QUEJUAXBXLFEDN-CVEARBPZSA-N 1 1 288.435 3.193 20 30 CGEDMO N#C[C@H]1CC[C@H]([NH2+]Cc2coc(-c3cccs3)n2)C1 ZINC000442789225 330783668 /nfs/dbraw/zinc/78/36/68/330783668.db2.gz JQMMGEGLDWYVQZ-QWRGUYRKSA-N 1 1 273.361 3.185 20 30 CGEDMO C[C@H]1CN(C2CC2)CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000451091009 331015386 /nfs/dbraw/zinc/01/53/86/331015386.db2.gz IEFHDKRDQAXBOZ-OAHLLOKOSA-N 1 1 277.456 3.123 20 30 CGEDMO C[C@@H]1CN(CCCCC(C)(C)C#N)CC[N@@H+](C2CC2)C1 ZINC000451091009 331015387 /nfs/dbraw/zinc/01/53/87/331015387.db2.gz IEFHDKRDQAXBOZ-OAHLLOKOSA-N 1 1 277.456 3.123 20 30 CGEDMO C[C@@H]1CN(CCCCC(C)(C)C#N)CC[N@H+](C2CC2)C1 ZINC000451091009 331015388 /nfs/dbraw/zinc/01/53/88/331015388.db2.gz IEFHDKRDQAXBOZ-OAHLLOKOSA-N 1 1 277.456 3.123 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000451218521 331020924 /nfs/dbraw/zinc/02/09/24/331020924.db2.gz RKEWDKCAEFQUKC-OAHLLOKOSA-N 1 1 280.456 3.346 20 30 CGEDMO CO[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)CC1(C)C ZINC000451557120 331034336 /nfs/dbraw/zinc/03/43/36/331034336.db2.gz AZSOHWDRISNACT-INIZCTEOSA-N 1 1 291.822 3.438 20 30 CGEDMO CO[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)CC1(C)C ZINC000451557120 331034337 /nfs/dbraw/zinc/03/43/37/331034337.db2.gz AZSOHWDRISNACT-INIZCTEOSA-N 1 1 291.822 3.438 20 30 CGEDMO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1csc(CCC(C)C)n1 ZINC000451601621 331035816 /nfs/dbraw/zinc/03/58/16/331035816.db2.gz BJDKKEHFIQCRAL-KGLIPLIRSA-N 1 1 280.437 3.165 20 30 CGEDMO CC[C@@H]1C[N@@H+](CC)CCN1CC#Cc1ccccc1Cl ZINC000451740671 331040867 /nfs/dbraw/zinc/04/08/67/331040867.db2.gz MIRSCXBEJHTFFH-MRXNPFEDSA-N 1 1 290.838 3.108 20 30 CGEDMO C[N@@H+](CCCC(C)(C)C#N)[C@@H](CO)CC(C)(C)C ZINC000451787903 331042045 /nfs/dbraw/zinc/04/20/45/331042045.db2.gz YKOGYCCYLPDPIM-CYBMUJFWSA-N 1 1 254.418 3.045 20 30 CGEDMO COC[C@@H]1CCCC[N@@H+]1CC#Cc1ccccc1Cl ZINC000452035988 331051347 /nfs/dbraw/zinc/05/13/47/331051347.db2.gz IBJSNKWZRYAEQC-HNNXBMFYSA-N 1 1 277.795 3.192 20 30 CGEDMO COC[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1Cl ZINC000452035988 331051348 /nfs/dbraw/zinc/05/13/48/331051348.db2.gz IBJSNKWZRYAEQC-HNNXBMFYSA-N 1 1 277.795 3.192 20 30 CGEDMO COC[C@@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)CC1 ZINC000452105769 331054358 /nfs/dbraw/zinc/05/43/58/331054358.db2.gz PUFZUDAIHSKZJL-OAHLLOKOSA-N 1 1 291.822 3.440 20 30 CGEDMO C=C(C)CCNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000454313232 331144017 /nfs/dbraw/zinc/14/40/17/331144017.db2.gz FIMQSZRKHNRVOL-IYBDPMFKSA-N 1 1 295.471 3.010 20 30 CGEDMO C=C(C)CCNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000454896724 331156062 /nfs/dbraw/zinc/15/60/62/331156062.db2.gz IWEDCGZRBVHLCI-INIZCTEOSA-N 1 1 293.455 3.049 20 30 CGEDMO C=CC[N@@H+](CCOC)CCc1cccc(Cl)c1 ZINC000459534488 331286282 /nfs/dbraw/zinc/28/62/82/331286282.db2.gz WMENJDARTGIZKJ-UHFFFAOYSA-N 1 1 253.773 3.017 20 30 CGEDMO C=CCNC(=O)C[N@@H+]1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000459755801 331298643 /nfs/dbraw/zinc/29/86/43/331298643.db2.gz SZZBSXCBZGYTKV-SFHVURJKSA-N 1 1 298.430 3.296 20 30 CGEDMO C=CCNC(=O)C[N@H+]1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000459755801 331298644 /nfs/dbraw/zinc/29/86/44/331298644.db2.gz SZZBSXCBZGYTKV-SFHVURJKSA-N 1 1 298.430 3.296 20 30 CGEDMO C=C[C@@H]1CCCCN1c1cc(C(C)C)[nH+]c(N(C)C)n1 ZINC000486474043 331938085 /nfs/dbraw/zinc/93/80/85/331938085.db2.gz WAAOPFGEDGRPHV-CYBMUJFWSA-N 1 1 274.412 3.211 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCc2ccccc2C1 ZINC000489482116 332055409 /nfs/dbraw/zinc/05/54/09/332055409.db2.gz CLVZPYALDCPJAE-GOSISDBHSA-N 1 1 298.430 3.002 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C(=O)OC ZINC000489490990 332056002 /nfs/dbraw/zinc/05/60/02/332056002.db2.gz ZWMMZXXNNXZOCS-CQSZACIVSA-N 1 1 259.349 3.014 20 30 CGEDMO C#CC[N@H+](Cc1cn(C(C)C)nc1C)C1CCCC1 ZINC000490984321 332135806 /nfs/dbraw/zinc/13/58/06/332135806.db2.gz DMEQCJZDFXRMFH-UHFFFAOYSA-N 1 1 259.397 3.150 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000491450532 332213104 /nfs/dbraw/zinc/21/31/04/332213104.db2.gz AXQNXVGGDQAVSG-JTQLQIEISA-N 1 1 299.201 3.276 20 30 CGEDMO C#CC[NH+]1CCC(c2nc([C@H]3CCC[C@@H](C)C3)no2)CC1 ZINC000491451023 332213487 /nfs/dbraw/zinc/21/34/87/332213487.db2.gz DCCFFEWIAQZTEP-HIFRSBDPSA-N 1 1 287.407 3.176 20 30 CGEDMO C#CC[NH+]1CCC(c2nc([C@H](C)C(C)(C)C)no2)CC1 ZINC000491556869 332238066 /nfs/dbraw/zinc/23/80/66/332238066.db2.gz ZHODRXMWAICFFT-LBPRGKRZSA-N 1 1 275.396 3.032 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccccc1OCc1cccnc1 ZINC000491635018 332256264 /nfs/dbraw/zinc/25/62/64/332256264.db2.gz TYNHLZJBPZLFNV-OAHLLOKOSA-N 1 1 280.371 3.114 20 30 CGEDMO C#C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1ccc(Cl)cc1F ZINC000491718143 332307260 /nfs/dbraw/zinc/30/72/60/332307260.db2.gz STVRPZPTHZUPLJ-GMXABZIVSA-N 1 1 276.742 3.435 20 30 CGEDMO C#CC[N@H+](CCCc1cc(CC)no1)C1CCCC1 ZINC000491734242 332315028 /nfs/dbraw/zinc/31/50/28/332315028.db2.gz NRFDMPWDZWTYFW-UHFFFAOYSA-N 1 1 260.381 3.047 20 30 CGEDMO C=CCOc1ccc(C[N@H+](CCCO)CC(C)(C)C)cc1 ZINC000513690836 333032436 /nfs/dbraw/zinc/03/24/36/333032436.db2.gz NANWGQHCTRAPTB-UHFFFAOYSA-N 1 1 291.435 3.482 20 30 CGEDMO C=CCOc1ccc(CNC(C)(C)C[NH+]2CCCC2)cc1 ZINC000308627887 333036636 /nfs/dbraw/zinc/03/66/36/333036636.db2.gz LKVYTPDVPWMMDN-UHFFFAOYSA-N 1 1 288.435 3.215 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000185254415 333137759 /nfs/dbraw/zinc/13/77/59/333137759.db2.gz IWADZIUNXMHQRA-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO CC[N@@H+](Cc1ccc2c(c1)COC(C)(C)O2)C[C@@H](C)C#N ZINC000186640342 333164044 /nfs/dbraw/zinc/16/40/44/333164044.db2.gz NYIBEUZXJNELMT-ZDUSSCGKSA-N 1 1 288.391 3.313 20 30 CGEDMO CC[N@H+](Cc1ccc2c(c1)COC(C)(C)O2)C[C@@H](C)C#N ZINC000186640342 333164046 /nfs/dbraw/zinc/16/40/46/333164046.db2.gz NYIBEUZXJNELMT-ZDUSSCGKSA-N 1 1 288.391 3.313 20 30 CGEDMO C=CCCCCCN(C)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000523519578 333332005 /nfs/dbraw/zinc/33/20/05/333332005.db2.gz RKWPTHIYHQVTAC-HOTGVXAUSA-N 1 1 293.455 3.001 20 30 CGEDMO CN(C[C@H]1CCC[N@H+]1CCCCC#N)C(=O)OC(C)(C)C ZINC000076017371 334066610 /nfs/dbraw/zinc/06/66/10/334066610.db2.gz QIRFDLBTUUJBNK-CQSZACIVSA-N 1 1 295.427 3.012 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000135090485 334114912 /nfs/dbraw/zinc/11/49/12/334114912.db2.gz DSSANWSDVRAJSH-VYDXJSESSA-N 1 1 278.440 3.062 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000547767804 334115989 /nfs/dbraw/zinc/11/59/89/334115989.db2.gz KJTKARLHIURAFB-QGZVFWFLSA-N 1 1 259.393 3.377 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000552811495 334345942 /nfs/dbraw/zinc/34/59/42/334345942.db2.gz HZQONHQRPLBBAL-RISCZKNCSA-N 1 1 289.379 3.396 20 30 CGEDMO CCCC[N@@H+](C)C[C@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000576381275 335196464 /nfs/dbraw/zinc/19/64/64/335196464.db2.gz ZLKIFIJWSYGKQM-KBPBESRZSA-N 1 1 291.414 3.468 20 30 CGEDMO CCCCN(C)C[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000576381275 335196465 /nfs/dbraw/zinc/19/64/65/335196465.db2.gz ZLKIFIJWSYGKQM-KBPBESRZSA-N 1 1 291.414 3.468 20 30 CGEDMO CC[C@H](CSC)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000343715409 335217356 /nfs/dbraw/zinc/21/73/56/335217356.db2.gz AAOYKRXRNDXJIH-OAHLLOKOSA-N 1 1 262.422 3.326 20 30 CGEDMO COC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(C)o1 ZINC000181848203 335788044 /nfs/dbraw/zinc/78/80/44/335788044.db2.gz ZIDZPFHIYOTGSZ-BBRMVZONSA-N 1 1 284.359 3.498 20 30 CGEDMO C=CCOCC[N@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000581239071 336029339 /nfs/dbraw/zinc/02/93/39/336029339.db2.gz FIHWAQAKAUWBMS-MQNTZWLQSA-N 1 1 257.377 3.367 20 30 CGEDMO C=CCOCC[N@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000581239072 336029448 /nfs/dbraw/zinc/02/94/48/336029448.db2.gz FIHWAQAKAUWBMS-QXPKXGMISA-N 1 1 257.377 3.367 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000581947121 336174738 /nfs/dbraw/zinc/17/47/38/336174738.db2.gz OEBLRRHDVAVKDU-CQSZACIVSA-N 1 1 285.347 3.088 20 30 CGEDMO C=CCCC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000288264348 500575412 /nfs/dbraw/zinc/57/54/12/500575412.db2.gz GQAMDEJAQHBMSK-IBGZPJMESA-N 1 1 298.430 3.077 20 30 CGEDMO C[C@H]1CC[C@@]2(CC[N@@H+](CCOc3cccc(C#N)c3)C2)C1 ZINC000359554983 533731030 /nfs/dbraw/zinc/73/10/30/533731030.db2.gz JOIJXBGMBGFVNA-MAUKXSAKSA-N 1 1 284.403 3.449 20 30 CGEDMO CS[C@@H]1CCCC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000428363675 533942802 /nfs/dbraw/zinc/94/28/02/533942802.db2.gz MWVICLVEEPVEGF-CYBMUJFWSA-N 1 1 278.396 3.415 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411848371 534083374 /nfs/dbraw/zinc/08/33/74/534083374.db2.gz NECQQFNSAPTFSF-SUMWQHHRSA-N 1 1 270.376 3.120 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411848371 534083385 /nfs/dbraw/zinc/08/33/85/534083385.db2.gz NECQQFNSAPTFSF-SUMWQHHRSA-N 1 1 270.376 3.120 20 30 CGEDMO Cc1nc(NCC[N@@H+]2CCCC[C@H]2C)c(Cl)cc1C#N ZINC000359880095 534490200 /nfs/dbraw/zinc/49/02/00/534490200.db2.gz PLYLXAQGQVFSRL-LLVKDONJSA-N 1 1 292.814 3.201 20 30 CGEDMO CCOc1cccc(C[N@@H+](C)Cc2ccc(C#N)cc2)c1O ZINC000131177548 521334764 /nfs/dbraw/zinc/33/47/64/521334764.db2.gz NPBDBOMNPKSATR-UHFFFAOYSA-N 1 1 296.370 3.295 20 30 CGEDMO C=CC[N@H+](CC[C@H](C)F)Cc1cccc([N+](=O)[O-])c1 ZINC000351854402 526307721 /nfs/dbraw/zinc/30/77/21/526307721.db2.gz GPOUVQFHSMAREL-LBPRGKRZSA-N 1 1 266.316 3.331 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)CC1CCOCC1 ZINC000112697234 526311625 /nfs/dbraw/zinc/31/16/25/526311625.db2.gz GVDTYBHBHADJFZ-UHFFFAOYSA-N 1 1 259.393 3.144 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)NC(C)(C)C ZINC000354526237 526379835 /nfs/dbraw/zinc/37/98/35/526379835.db2.gz NPJXPVQOFOTJLT-LBPRGKRZSA-N 1 1 280.437 3.039 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)NC(C)(C)C ZINC000354526237 526379842 /nfs/dbraw/zinc/37/98/42/526379842.db2.gz NPJXPVQOFOTJLT-LBPRGKRZSA-N 1 1 280.437 3.039 20 30 CGEDMO C=C(C)CC[N@@H+]1CCN(Cc2ccccc2)C[C@H]1C ZINC000352011469 526445177 /nfs/dbraw/zinc/44/51/77/526445177.db2.gz BPFBLPBVRJYGMJ-MRXNPFEDSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cccs1)[C@H]1C=C[C@@H](CO)C1 ZINC000347380520 526569751 /nfs/dbraw/zinc/56/97/51/526569751.db2.gz SFNIWMXAURZKNB-KGLIPLIRSA-N 1 1 263.406 3.063 20 30 CGEDMO C=CCOCCC[N@H+](CCC)Cc1ccc(C#N)cc1 ZINC000347968938 526748451 /nfs/dbraw/zinc/74/84/51/526748451.db2.gz RSFWHMQGOOZLEI-UHFFFAOYSA-N 1 1 272.392 3.363 20 30 CGEDMO C=CCOCCC[N@H+]1CCC[C@H]1c1cccs1 ZINC000347967520 526754283 /nfs/dbraw/zinc/75/42/83/526754283.db2.gz ISZVPGFEBRTHPB-ZDUSSCGKSA-N 1 1 251.395 3.478 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](O)C23CCCC3)cc1 ZINC000353996109 526871800 /nfs/dbraw/zinc/87/18/00/526871800.db2.gz AAJWJTTYRMFPQL-KRWDZBQOSA-N 1 1 287.403 3.131 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2C[C@H](C)OC(C)(C)C2)c1 ZINC000352741526 526901663 /nfs/dbraw/zinc/90/16/63/526901663.db2.gz HFDHPZOQBQCCIX-AWEZNQCLSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](CC)C1 ZINC000352721141 526934140 /nfs/dbraw/zinc/93/41/40/526934140.db2.gz ZNYNNSKEQFLXJY-ZBFHGGJFSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](CC)C1 ZINC000352721141 526934143 /nfs/dbraw/zinc/93/41/43/526934143.db2.gz ZNYNNSKEQFLXJY-ZBFHGGJFSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CCCC[N@@H+]1CCN(Cc2ccccc2)C[C@H]1C ZINC000344516008 527199307 /nfs/dbraw/zinc/19/93/07/527199307.db2.gz NEGXZKZIMSBWMX-MRXNPFEDSA-N 1 1 258.409 3.159 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000352830447 527328015 /nfs/dbraw/zinc/32/80/15/527328015.db2.gz KBHVJRMUNWBVOD-SFHVURJKSA-N 1 1 270.420 3.161 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000352830447 527328020 /nfs/dbraw/zinc/32/80/20/527328020.db2.gz KBHVJRMUNWBVOD-SFHVURJKSA-N 1 1 270.420 3.161 20 30 CGEDMO CC[C@H](C[N@@H+](Cc1ccc(C#N)cc1)C(C)C)OC ZINC000412980626 529334594 /nfs/dbraw/zinc/33/45/94/529334594.db2.gz YDTUQBYOTSINGV-MRXNPFEDSA-N 1 1 260.381 3.194 20 30 CGEDMO CCO[C@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C[C@H]1C ZINC000451538349 535631943 /nfs/dbraw/zinc/63/19/43/535631943.db2.gz JBVBDVSHUNGABE-WBMJQRKESA-N 1 1 292.810 3.459 20 30 CGEDMO CCO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C[C@H]1C ZINC000451538349 535631945 /nfs/dbraw/zinc/63/19/45/535631945.db2.gz JBVBDVSHUNGABE-WBMJQRKESA-N 1 1 292.810 3.459 20 30 CGEDMO COC(=O)c1ccc([C@@H](C)[N@H+](C)Cc2ccc(C#N)cc2)o1 ZINC000125285995 536804555 /nfs/dbraw/zinc/80/45/55/536804555.db2.gz ZBQPSLLTXUBJKP-GFCCVEGCSA-N 1 1 298.342 3.131 20 30 CGEDMO COC(=O)c1ccc([C@@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)o1 ZINC000125285995 536804564 /nfs/dbraw/zinc/80/45/64/536804564.db2.gz ZBQPSLLTXUBJKP-GFCCVEGCSA-N 1 1 298.342 3.131 20 30 CGEDMO CCCCCCC[N@H+](CCO)Cc1cccnc1Cl ZINC000726970843 571694350 /nfs/dbraw/zinc/69/43/50/571694350.db2.gz SZVZUZGLUQXGJE-UHFFFAOYSA-N 1 1 284.831 3.500 20 30 CGEDMO CCCCCCC[N@@H+](CCO)Cc1cccnc1Cl ZINC000726970843 571694355 /nfs/dbraw/zinc/69/43/55/571694355.db2.gz SZVZUZGLUQXGJE-UHFFFAOYSA-N 1 1 284.831 3.500 20 30 CGEDMO C=CCNC(=S)Nc1cccc2c1C[N@@H+](CCCC)C2 ZINC000727290982 571739140 /nfs/dbraw/zinc/73/91/40/571739140.db2.gz MPIUUCQJZJOKRG-UHFFFAOYSA-N 1 1 289.448 3.275 20 30 CGEDMO C=CC[N@H+](Cc1cccc(C(=O)NCC(C)C)c1)C(C)C ZINC000727434492 571745267 /nfs/dbraw/zinc/74/52/67/571745267.db2.gz MWOHIMJTHOIIIL-UHFFFAOYSA-N 1 1 288.435 3.469 20 30 CGEDMO Cc1nc(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)cs1 ZINC000728711602 571815919 /nfs/dbraw/zinc/81/59/19/571815919.db2.gz JNYWRSZNMCHVJQ-LLVKDONJSA-N 1 1 287.388 3.032 20 30 CGEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2c2ccccc2)C1=O ZINC000337181618 571822989 /nfs/dbraw/zinc/82/29/89/571822989.db2.gz BADIJCYNLCAJFE-IAGOWNOFSA-N 1 1 284.403 3.001 20 30 CGEDMO C#CC[N@H+](CCCOCC)[C@H]1CCCc2ccccc21 ZINC000746169827 571955482 /nfs/dbraw/zinc/95/54/82/571955482.db2.gz AALMYZHHYJXXLZ-SFHVURJKSA-N 1 1 271.404 3.426 20 30 CGEDMO C[N@@H+](CCOc1ccc(C#N)cc1)CCc1ccccc1F ZINC000731670948 572420950 /nfs/dbraw/zinc/42/09/50/572420950.db2.gz JCJMYVFDCADLGT-UHFFFAOYSA-N 1 1 298.361 3.251 20 30 CGEDMO CC(C)C[N@H+](CCC#N)CCO[C@@H]1CCCC[C@H]1C ZINC000739914637 572426859 /nfs/dbraw/zinc/42/68/59/572426859.db2.gz MNDYKTCWYANDPH-HZPDHXFCSA-N 1 1 266.429 3.453 20 30 CGEDMO C=C(Cl)CN1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000741054598 572478880 /nfs/dbraw/zinc/47/88/80/572478880.db2.gz QOVJMKUEYZGBMK-HNNXBMFYSA-N 1 1 278.827 3.335 20 30 CGEDMO C#CC[N@H+](CC)[C@H]1CCOc2ccc(Br)cc21 ZINC000733197031 572542472 /nfs/dbraw/zinc/54/24/72/572542472.db2.gz LKVUKUVTSJKXAY-ZDUSSCGKSA-N 1 1 294.192 3.228 20 30 CGEDMO CC[N@@H+](Cn1ccc(-c2ccc(C#N)cc2)n1)C1CCC1 ZINC000738054471 572618647 /nfs/dbraw/zinc/61/86/47/572618647.db2.gz KWEBZBKDFHOJNL-UHFFFAOYSA-N 1 1 280.375 3.254 20 30 CGEDMO C[C@H](Nc1nc(N2CCCC2)cc[nH+]1)c1cccc(C#N)c1 ZINC000743459676 572663831 /nfs/dbraw/zinc/66/38/31/572663831.db2.gz LNYFFLSZMTWSKP-ZDUSSCGKSA-N 1 1 293.374 3.122 20 30 CGEDMO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccc(OC)cc1 ZINC000744209120 572723300 /nfs/dbraw/zinc/72/33/00/572723300.db2.gz XFNLNBIPUVHRKX-UHFFFAOYSA-N 1 1 283.346 3.470 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(OC)cc1 ZINC000744209120 572723303 /nfs/dbraw/zinc/72/33/03/572723303.db2.gz XFNLNBIPUVHRKX-UHFFFAOYSA-N 1 1 283.346 3.470 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000735491005 572725843 /nfs/dbraw/zinc/72/58/43/572725843.db2.gz ZRJUCNFFQCYINH-AWEZNQCLSA-N 1 1 282.428 3.284 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1cc(OC)ccc1OC ZINC000735490688 572726501 /nfs/dbraw/zinc/72/65/01/572726501.db2.gz OFBWPRHOEBTNIJ-UHFFFAOYSA-N 1 1 263.381 3.492 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC1(Cl)Cl ZINC000744738792 572769945 /nfs/dbraw/zinc/76/99/45/572769945.db2.gz LXIBTHDUZNPAIC-GFCCVEGCSA-N 1 1 286.177 3.455 20 30 CGEDMO C#CC[N@H+](Cc1ccc(F)cc1)C[C@H]1CC1(Cl)Cl ZINC000744738792 572769948 /nfs/dbraw/zinc/76/99/48/572769948.db2.gz LXIBTHDUZNPAIC-GFCCVEGCSA-N 1 1 286.177 3.455 20 30 CGEDMO C=CCCC[N@H+](C)Cn1ccc(-c2ccccc2)n1 ZINC000736589619 572800537 /nfs/dbraw/zinc/80/05/37/572800537.db2.gz KUVLLUBAGUXJQN-UHFFFAOYSA-N 1 1 255.365 3.406 20 30 CGEDMO C#CC[N@@H+](CC)CCCOc1ccc(Cl)cc1 ZINC000746456884 572872051 /nfs/dbraw/zinc/87/20/51/572872051.db2.gz PTQNUVSNLCWBIB-UHFFFAOYSA-N 1 1 251.757 3.064 20 30 CGEDMO C#CC[N@@H+](CC)Cc1cc(Cl)ccc1OC(F)F ZINC000749155152 572990091 /nfs/dbraw/zinc/99/00/91/572990091.db2.gz MRTBSJVJWVESCQ-UHFFFAOYSA-N 1 1 273.710 3.397 20 30 CGEDMO C#CC[N@H+](CC)Cc1cc(Cl)ccc1OC(F)F ZINC000749155152 572990092 /nfs/dbraw/zinc/99/00/92/572990092.db2.gz MRTBSJVJWVESCQ-UHFFFAOYSA-N 1 1 273.710 3.397 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC2(C1)CCC[N@H+](CC(C)C)C2 ZINC000981931157 613239651 /nfs/dbraw/zinc/23/96/51/613239651.db2.gz WPMDJKRNYGWOLQ-UHFFFAOYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCC1 ZINC000960785708 613240856 /nfs/dbraw/zinc/24/08/56/613240856.db2.gz HUUJFLAZHOTEMS-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC12CC2 ZINC000969049607 613251205 /nfs/dbraw/zinc/25/12/05/613251205.db2.gz LTQYMYXQDOAUGF-CVEARBPZSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)[C@@H]2CCCC2(C)C)CC1 ZINC000981783315 613252649 /nfs/dbraw/zinc/25/26/49/613252649.db2.gz HZAIZFWVZJFOFP-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)c2cc(C)c(C)o2)CC1 ZINC000980977424 613255022 /nfs/dbraw/zinc/25/50/22/613255022.db2.gz SFWADLXFBWBLII-UHFFFAOYSA-N 1 1 290.407 3.011 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2CCCCC2)[C@H](C)C1 ZINC000941759765 613266121 /nfs/dbraw/zinc/26/61/21/613266121.db2.gz FKMYIEKWKBKBOT-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2coc(C)c2)C[C@@H]1C ZINC000947239241 613268194 /nfs/dbraw/zinc/26/81/94/613268194.db2.gz BAKKENCGAVYMDZ-XJKSGUPXSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2CC=CC2)C(C)(C)C1 ZINC000940643356 613270550 /nfs/dbraw/zinc/27/05/50/613270550.db2.gz UODKKFJIQJCELW-INIZCTEOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2cc(C)c(C)s2)C1 ZINC000980345694 613291013 /nfs/dbraw/zinc/29/10/13/613291013.db2.gz GBINMPKLPNHKSX-AWEZNQCLSA-N 1 1 292.448 3.087 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2csc(C)c2C)C1 ZINC000971599547 613292035 /nfs/dbraw/zinc/29/20/35/613292035.db2.gz MKWYETCQCJLBBE-AWEZNQCLSA-N 1 1 292.448 3.087 20 30 CGEDMO C=C(C)C[N@H+]1CCCC2(CN(C(=O)c3cccc(C)c3)C2)C1 ZINC000981600840 613305988 /nfs/dbraw/zinc/30/59/88/613305988.db2.gz VWAGJENTVLMULW-UHFFFAOYSA-N 1 1 298.430 3.109 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)c1cccs1 ZINC000968738679 613307398 /nfs/dbraw/zinc/30/73/98/613307398.db2.gz YKRDGGNAHKFNSE-AWEZNQCLSA-N 1 1 292.448 3.299 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC000948758659 613313658 /nfs/dbraw/zinc/31/36/58/613313658.db2.gz KDDFUGIEAKNDIX-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C=C(C)C)C1 ZINC000963249005 613314769 /nfs/dbraw/zinc/31/47/69/613314769.db2.gz FWNBUDVMKYKRJS-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccsc2C)C1 ZINC000966005505 613324200 /nfs/dbraw/zinc/32/42/00/613324200.db2.gz VFAXIXBNSWWRNB-DOMZBBRYSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C2CCC2)C[C@H]1C ZINC000947582249 613326508 /nfs/dbraw/zinc/32/65/08/613326508.db2.gz ZKOQYGVELWNPLW-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2CCC=CCC2)[C@H](C)C1 ZINC000944995150 613327251 /nfs/dbraw/zinc/32/72/51/613327251.db2.gz QBYWDECGUXZENH-NVXWUHKLSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2c(C)coc2C)C[C@@H]1C ZINC000947272006 613329111 /nfs/dbraw/zinc/32/91/11/613329111.db2.gz QWZGLTISAFSWEY-DZGCQCFKSA-N 1 1 290.407 3.055 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccoc2Cl)C[C@H]1C ZINC000947250852 613330746 /nfs/dbraw/zinc/33/07/46/613330746.db2.gz YQSLDMBRNDFNEA-VXGBXAGGSA-N 1 1 296.798 3.092 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cscc2C)C1 ZINC000965770370 613333224 /nfs/dbraw/zinc/33/32/24/613333224.db2.gz YADCRSZMCOWHPY-WFASDCNBSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)=C2CCCC2)[C@H](C)C1 ZINC000941944166 613334437 /nfs/dbraw/zinc/33/44/37/613334437.db2.gz SGTQFUATZCHSIG-PBHICJAKSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)CC2=CCCCC2)[C@H](C)C1 ZINC000941897736 613334907 /nfs/dbraw/zinc/33/49/07/613334907.db2.gz YIYGLSSTFSDDIK-WBVHZDCISA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC2(C)C)C(C)(C)C1 ZINC000940965332 613335677 /nfs/dbraw/zinc/33/56/77/613335677.db2.gz OBUDWAMDNFXOCQ-GJZGRUSLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC000972272525 613368349 /nfs/dbraw/zinc/36/83/49/613368349.db2.gz QCDTUZVKRGECAT-ZIAGYGMSSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC000972272525 613368350 /nfs/dbraw/zinc/36/83/50/613368350.db2.gz QCDTUZVKRGECAT-ZIAGYGMSSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCC)C1 ZINC000963245450 613374480 /nfs/dbraw/zinc/37/44/80/613374480.db2.gz XWABZJAGGUOISP-HUUCEWRRSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C2CC2)[C@@H](C)C1 ZINC000942572035 613376095 /nfs/dbraw/zinc/37/60/95/613376095.db2.gz MLMKVRIFEKIZLQ-SMDDNHRTSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C2CC2)[C@@H](C)C1 ZINC000942572035 613376096 /nfs/dbraw/zinc/37/60/96/613376096.db2.gz MLMKVRIFEKIZLQ-SMDDNHRTSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cccs2)C[C@@H]1C ZINC000947017997 613376983 /nfs/dbraw/zinc/37/69/83/613376983.db2.gz RHAOKCRVEKORCL-NWDGAFQWSA-N 1 1 298.839 3.083 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cccs2)C[C@@H]1C ZINC000947017997 613376984 /nfs/dbraw/zinc/37/69/84/613376984.db2.gz RHAOKCRVEKORCL-NWDGAFQWSA-N 1 1 298.839 3.083 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@H]([C@H]3CCC[N@@H+]3CC)C2)C1 ZINC000963361769 613393542 /nfs/dbraw/zinc/39/35/42/613393542.db2.gz UODRHIXAWMZDQR-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](C[C@@H](C)CC)CC2(C)C)C1 ZINC000975025768 613398942 /nfs/dbraw/zinc/39/89/42/613398942.db2.gz KFWDWQAEBMHGOQ-DZGCQCFKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CCC(C)C)[C@H](C)C2)C1 ZINC000947702297 613400955 /nfs/dbraw/zinc/40/09/55/613400955.db2.gz MDELQDXDKZZAAT-CVEARBPZSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CC3)[C@H](C)C2)CC1 ZINC000947690240 613411870 /nfs/dbraw/zinc/41/18/70/613411870.db2.gz SNFNEDIRIPTGFC-PBHICJAKSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C)C(C)(C)C)C2)C1 ZINC000981848617 613488534 /nfs/dbraw/zinc/48/85/34/613488534.db2.gz SQLAWPQNOBKULA-OAHLLOKOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)C(CC)(CC)CC)CC1 ZINC000982945257 613491741 /nfs/dbraw/zinc/49/17/41/613491741.db2.gz YTRHYWBVZYRTIU-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCC[N@H+]1CCCN(C(=O)[C@@H]2CCCC3(CC3)C2)CC1 ZINC000981159564 613494021 /nfs/dbraw/zinc/49/40/21/613494021.db2.gz FOTUMKGCZHOTCI-MRXNPFEDSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)/C(C)=C/C)C1 ZINC000963281789 613500271 /nfs/dbraw/zinc/50/02/71/613500271.db2.gz MUSLBYLRFYZTSV-KTHYOXIYSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC000948759282 613500973 /nfs/dbraw/zinc/50/09/73/613500973.db2.gz VWUVAYOZEMHTPF-IXDOHACOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@]2(C)C=CCC2)CC1 ZINC000948681022 613501462 /nfs/dbraw/zinc/50/14/62/613501462.db2.gz OXXQORVVOJHSBN-FUHWJXTLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccsc2C)C1 ZINC000966004102 613518117 /nfs/dbraw/zinc/51/81/17/613518117.db2.gz NLXDSEASOLZYPN-IUODEOHRSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C2(F)CCCCC2)C[C@@H]1C ZINC000947900689 613519237 /nfs/dbraw/zinc/51/92/37/613519237.db2.gz UTACAHFJDCGBCI-LSDHHAIUSA-N 1 1 296.430 3.204 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C=C(C)C)C2)C1 ZINC000961111660 613528548 /nfs/dbraw/zinc/52/85/48/613528548.db2.gz KZECFMXINGUVLX-IAGOWNOFSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C(F)=C2CCCC2)C1 ZINC000965901559 613530882 /nfs/dbraw/zinc/53/08/82/613530882.db2.gz VOWQMGAXYCQREL-DZGCQCFKSA-N 1 1 294.414 3.187 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C(F)=C2CCCC2)C[C@@H]1C ZINC000947195973 613533012 /nfs/dbraw/zinc/53/30/12/613533012.db2.gz OYACPJLWIKNQPI-ZFWWWQNUSA-N 1 1 294.414 3.329 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)=C2CCCC2)C[C@H]1C ZINC000947195746 613533224 /nfs/dbraw/zinc/53/32/24/613533224.db2.gz MYCDONMUQVFUNU-PBHICJAKSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)C2C(C)(C)C2(C)C)[C@@H](C)C1 ZINC000941935589 613533743 /nfs/dbraw/zinc/53/37/43/613533743.db2.gz LAPROPVUQSMTKU-KBPBESRZSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)CC2=CCCCC2)[C@H](C)C1 ZINC000941900255 613534869 /nfs/dbraw/zinc/53/48/69/613534869.db2.gz QYUDQAKXAOEASY-WBVHZDCISA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2CCC)C(C)(C)C1 ZINC000941023060 613536899 /nfs/dbraw/zinc/53/68/99/613536899.db2.gz ZXQMVMPEPMXAPH-OAGGEKHMSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccsc2C)C(C)(C)C1 ZINC000974576775 613545564 /nfs/dbraw/zinc/54/55/64/613545564.db2.gz UCZMNDGSHOOHJB-CQSZACIVSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)C1CCCCC1 ZINC000968718667 613683126 /nfs/dbraw/zinc/68/31/26/613683126.db2.gz AUPDXXSCFYVDHG-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC1(C)C ZINC000968991508 613685338 /nfs/dbraw/zinc/68/53/38/613685338.db2.gz ZOKXBOQJJGJQRW-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccoc2Cl)CC1 ZINC000948330206 613702060 /nfs/dbraw/zinc/70/20/60/613702060.db2.gz NGGXCRXYGTZZCU-GFCCVEGCSA-N 1 1 296.798 3.046 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2oc(C)cc2C)CC1 ZINC000948274540 613703044 /nfs/dbraw/zinc/70/30/44/613703044.db2.gz VQZKZOASXGJRGV-OAHLLOKOSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)/C(C)=C\C)CC2)C1 ZINC000961344222 613703429 /nfs/dbraw/zinc/70/34/29/613703429.db2.gz APFRUMCWULPRKJ-FLUNIGMLSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000963248919 613703536 /nfs/dbraw/zinc/70/35/36/613703536.db2.gz FEKHIMALRQYGEU-ZWKOTPCHSA-N 1 1 298.430 3.189 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)C2(C3CC3)CCC2)CC1 ZINC000948652299 613704310 /nfs/dbraw/zinc/70/43/10/613704310.db2.gz OXVIHMQTXYSLMD-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000963248917 613706298 /nfs/dbraw/zinc/70/62/98/613706298.db2.gz FEKHIMALRQYGEU-ROUUACIJSA-N 1 1 298.430 3.189 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccoc2C(C)C)C1 ZINC000968684477 613730331 /nfs/dbraw/zinc/73/03/31/613730331.db2.gz DATIMUXGVGKUSB-HIFRSBDPSA-N 1 1 290.407 3.029 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc3occc3c2)C1 ZINC000966300050 613734854 /nfs/dbraw/zinc/73/48/54/613734854.db2.gz QVWCFADLWBVYFX-CZUORRHYSA-N 1 1 298.386 3.059 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)cc(C)c2)C[C@@H]1C ZINC000947976260 613749270 /nfs/dbraw/zinc/74/92/70/613749270.db2.gz WVKSZKLTOZIMBA-DOTOQJQBSA-N 1 1 286.419 3.072 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cc3ccccc3o2)C[C@@H]1C ZINC000948001722 613750797 /nfs/dbraw/zinc/75/07/97/613750797.db2.gz DVKZGPYYRBXOLZ-DZGCQCFKSA-N 1 1 298.386 3.202 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C3CC3)cc2)[C@@H](C)C1 ZINC000945064626 613752848 /nfs/dbraw/zinc/75/28/48/613752848.db2.gz YPYZAECXVPETGP-KBXCAEBGSA-N 1 1 298.430 3.190 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C2CCCC2)C(C)(C)C1 ZINC000941157528 613783982 /nfs/dbraw/zinc/78/39/82/613783982.db2.gz DHAYLQYOCMUTTN-HOCLYGCPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cccc(Cl)c2)C[C@H]1C ZINC000947961556 613791693 /nfs/dbraw/zinc/79/16/93/613791693.db2.gz CHUOORYPLVBWHK-DOMZBBRYSA-N 1 1 292.810 3.109 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@]2(C)CC=C(C)CC2)C(C)(C)C1 ZINC000977635198 613808768 /nfs/dbraw/zinc/80/87/68/613808768.db2.gz ZKLHIEAAJJJQQY-QAPCUYQASA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)C(C)(C)C2CCCC2)C(C)(C)C1 ZINC000974703368 613826518 /nfs/dbraw/zinc/82/65/18/613826518.db2.gz UYGBBIQUGXXYPF-HNNXBMFYSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2sccc2Cl)C(C)(C)C1 ZINC000974630554 613830139 /nfs/dbraw/zinc/83/01/39/613830139.db2.gz MVLXFNKQMGDIGL-NSHDSACASA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)c2sccc2Cl)C(C)(C)C1 ZINC000974630554 613830140 /nfs/dbraw/zinc/83/01/40/613830140.db2.gz MVLXFNKQMGDIGL-NSHDSACASA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc(C)cc2)C1 ZINC001021722105 618110941 /nfs/dbraw/zinc/11/09/41/618110941.db2.gz LEOIVNLTHIACKA-ZWKOTPCHSA-N 1 1 298.430 3.108 20 30 CGEDMO C#CCOc1ccc(C[N@@H+](C)Cc2ccccc2)cc1 ZINC000077012385 618139209 /nfs/dbraw/zinc/13/92/09/618139209.db2.gz DZWQCOGKOMPGJY-UHFFFAOYSA-N 1 1 265.356 3.331 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](C3CCOCC3)C2)s1 ZINC000933084523 618142262 /nfs/dbraw/zinc/14/22/62/618142262.db2.gz HBPZPDFERSQENH-AWEZNQCLSA-N 1 1 290.432 3.258 20 30 CGEDMO C[N@H+]1CCN(Cc2csc(C#N)c2)[C@H](c2ccccc2)C1 ZINC000891400540 618185852 /nfs/dbraw/zinc/18/58/52/618185852.db2.gz WGEGYURWURPISQ-KRWDZBQOSA-N 1 1 297.427 3.108 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1C[C@]1(C)Br ZINC000891605004 618241437 /nfs/dbraw/zinc/24/14/37/618241437.db2.gz VXDBRLBHKMQQQW-KBPBESRZSA-N 1 1 293.208 3.164 20 30 CGEDMO C[N@H+](Cc1cnn(C2CCC2)c1)Cc1ccc(C#N)cc1 ZINC000891605068 618241579 /nfs/dbraw/zinc/24/15/79/618241579.db2.gz XTVVOJWSUYQVNX-UHFFFAOYSA-N 1 1 280.375 3.112 20 30 CGEDMO C[N@@H+](Cc1cnn(C2CCC2)c1)Cc1ccc(C#N)cc1 ZINC000891605068 618241580 /nfs/dbraw/zinc/24/15/80/618241580.db2.gz XTVVOJWSUYQVNX-UHFFFAOYSA-N 1 1 280.375 3.112 20 30 CGEDMO Cc1cc(C[N@H+](CCC#N)CC2CC2)c2c(n1)CCCC2 ZINC000891937736 618395195 /nfs/dbraw/zinc/39/51/95/618395195.db2.gz QNTORXPTVRZQOS-UHFFFAOYSA-N 1 1 283.419 3.395 20 30 CGEDMO Cc1cc(C[N@@H+](CCC#N)CC2CC2)c2c(n1)CCCC2 ZINC000891937736 618395208 /nfs/dbraw/zinc/39/52/08/618395208.db2.gz QNTORXPTVRZQOS-UHFFFAOYSA-N 1 1 283.419 3.395 20 30 CGEDMO C[C@H](C#N)C[N@H+](Cc1ccc2c(c1)C[C@H](C)O2)C1CC1 ZINC000892194086 618588107 /nfs/dbraw/zinc/58/81/07/618588107.db2.gz JNKBUGHCIWNOJO-OLZOCXBDSA-N 1 1 270.376 3.134 20 30 CGEDMO C[C@H](C#N)C[N@@H+](Cc1ccc2c(c1)C[C@H](C)O2)C1CC1 ZINC000892194086 618588119 /nfs/dbraw/zinc/58/81/19/618588119.db2.gz JNKBUGHCIWNOJO-OLZOCXBDSA-N 1 1 270.376 3.134 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1C[C@@H](O)c1cc2ccccc2o1 ZINC000934460569 618623300 /nfs/dbraw/zinc/62/33/00/618623300.db2.gz QOLSFEBTPKJPJN-ZIAGYGMSSA-N 1 1 257.333 3.117 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1CCCCC(=O)OC(C)(C)C ZINC000934463033 618625342 /nfs/dbraw/zinc/62/53/42/618625342.db2.gz VUWWYUWRQGSBDE-CYBMUJFWSA-N 1 1 253.386 3.149 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1cc(-c2ccccc2)no1 ZINC000934469733 618626776 /nfs/dbraw/zinc/62/67/76/618626776.db2.gz YWWIOXMVGDVCNJ-AWEZNQCLSA-N 1 1 254.333 3.492 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1ccn(-c2cccc(F)c2)n1 ZINC000934469210 618626863 /nfs/dbraw/zinc/62/68/63/618626863.db2.gz QLGIYYXYSSRSGM-OAHLLOKOSA-N 1 1 271.339 3.162 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1ccn(-c2cccc(F)c2)n1 ZINC000934469210 618626866 /nfs/dbraw/zinc/62/68/66/618626866.db2.gz QLGIYYXYSSRSGM-OAHLLOKOSA-N 1 1 271.339 3.162 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1ccccc1CC ZINC000934472439 618628515 /nfs/dbraw/zinc/62/85/15/618628515.db2.gz QSOIFHDQSWGQIT-UKRRQHHQSA-N 1 1 272.392 3.226 20 30 CGEDMO C=CCCC[N@@H+](CC)Cc1nnnn1-c1c(C)cccc1C ZINC000934648834 618664989 /nfs/dbraw/zinc/66/49/89/618664989.db2.gz GECSXGPUBWXUDG-UHFFFAOYSA-N 1 1 299.422 3.067 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1nnnn1-c1c(C)cccc1C ZINC000934648834 618664992 /nfs/dbraw/zinc/66/49/92/618664992.db2.gz GECSXGPUBWXUDG-UHFFFAOYSA-N 1 1 299.422 3.067 20 30 CGEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccccc2C)c1 ZINC000052130409 618693912 /nfs/dbraw/zinc/69/39/12/618693912.db2.gz XLUPCEQSNMWJGY-UHFFFAOYSA-N 1 1 292.382 3.047 20 30 CGEDMO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccccc2C)c1 ZINC000052130409 618693915 /nfs/dbraw/zinc/69/39/15/618693915.db2.gz XLUPCEQSNMWJGY-UHFFFAOYSA-N 1 1 292.382 3.047 20 30 CGEDMO Cc1nonc1[C@@H](C)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000926479221 618706252 /nfs/dbraw/zinc/70/62/52/618706252.db2.gz INZMOSTVDARBJF-DOMZBBRYSA-N 1 1 284.363 3.464 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)c1 ZINC000934880596 618708695 /nfs/dbraw/zinc/70/86/95/618708695.db2.gz PFEULQWMCPNVDR-KBPBESRZSA-N 1 1 287.407 3.276 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)C2CCCCCC2)C1 ZINC001006899878 618798208 /nfs/dbraw/zinc/79/82/08/618798208.db2.gz UIZGLVPUIRQNEH-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(OC)c(OCC(C)C)c1 ZINC000775183042 619003017 /nfs/dbraw/zinc/00/30/17/619003017.db2.gz GTNJRDIAGAARGE-CQSZACIVSA-N 1 1 275.392 3.184 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1ccc(Cl)cc1Cl)[C@@H]1CCCO1 ZINC000775341713 619068871 /nfs/dbraw/zinc/06/88/71/619068871.db2.gz NYECVWPDIMTVLP-KGLIPLIRSA-N 1 1 284.186 3.264 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000931064032 619107484 /nfs/dbraw/zinc/10/74/84/619107484.db2.gz YYNBWHXETVRLBE-AXFHLTTASA-N 1 1 299.283 3.118 20 30 CGEDMO C[C@H](C(=O)O[C@@H](C#N)C1CCCCC1)[NH+]1CCCCCC1 ZINC000776388206 619122992 /nfs/dbraw/zinc/12/29/92/619122992.db2.gz XRYZJRMBDKLYJX-ZBFHGGJFSA-N 1 1 292.423 3.267 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC)cc2)C1 ZINC001009385152 619174438 /nfs/dbraw/zinc/17/44/38/619174438.db2.gz RUVXFOPUNBENJM-KRWDZBQOSA-N 1 1 286.419 3.019 20 30 CGEDMO CCCC[N@@H+](CCOC)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000093323013 619184145 /nfs/dbraw/zinc/18/41/45/619184145.db2.gz JVZCMLPAWXFLSY-HNNXBMFYSA-N 1 1 290.407 3.226 20 30 CGEDMO C[N@@H+](CCCc1cccnc1)CCc1cccc(C#N)c1 ZINC000931507853 619190287 /nfs/dbraw/zinc/19/02/87/619190287.db2.gz FLYWWSCKWVQADV-UHFFFAOYSA-N 1 1 279.387 3.060 20 30 CGEDMO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1nc(-c2ccccc2)no1 ZINC000893621508 619244054 /nfs/dbraw/zinc/24/40/54/619244054.db2.gz OXQXAYTZRDFNMK-LBPRGKRZSA-N 1 1 284.363 3.155 20 30 CGEDMO C[N@@H+](CCCOc1ccc(C#N)cc1)C1CCCC1 ZINC000034674523 619304956 /nfs/dbraw/zinc/30/49/56/619304956.db2.gz WJGDGXDKTDWGMR-UHFFFAOYSA-N 1 1 258.365 3.202 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](Cc3nccs3)C2)cc1 ZINC000932203973 619309668 /nfs/dbraw/zinc/30/96/68/619309668.db2.gz NQXUBCGKZQLMLG-MRXNPFEDSA-N 1 1 297.427 3.469 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cnn(C2CCC2)c1 ZINC000924981586 619473369 /nfs/dbraw/zinc/47/33/69/619473369.db2.gz WFACHWRUBMXJSX-GFCCVEGCSA-N 1 1 298.365 3.470 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@H]2c2ccncc2)cs1 ZINC000894450698 619542727 /nfs/dbraw/zinc/54/27/27/619542727.db2.gz ZBDMMQYKPNYRBJ-HNNXBMFYSA-N 1 1 269.373 3.352 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@H]2c2ccncc2)cs1 ZINC000894450698 619542730 /nfs/dbraw/zinc/54/27/30/619542730.db2.gz ZBDMMQYKPNYRBJ-HNNXBMFYSA-N 1 1 269.373 3.352 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1cn(CC)nc1-c1ccccc1 ZINC000894574677 619580274 /nfs/dbraw/zinc/58/02/74/619580274.db2.gz XOROIXBOGBXLKX-AWEZNQCLSA-N 1 1 267.376 3.024 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)cs1 ZINC000894633564 619593510 /nfs/dbraw/zinc/59/35/10/619593510.db2.gz GLHCHXMHZUUFFT-HNNXBMFYSA-N 1 1 288.416 3.011 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)OCCCCC1(C#N)CCC1 ZINC000909501516 619770468 /nfs/dbraw/zinc/77/04/68/619770468.db2.gz HJNHMHZRXKXEMY-OAHLLOKOSA-N 1 1 292.423 3.267 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@H](CF)C2)cc1OC ZINC000895575998 619853295 /nfs/dbraw/zinc/85/32/95/619853295.db2.gz WRMXUZKFVATCAY-CQSZACIVSA-N 1 1 279.355 3.051 20 30 CGEDMO C=CCCCN(CC)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000895618980 619859599 /nfs/dbraw/zinc/85/95/99/619859599.db2.gz PHLWIGIVBSFTJA-CVEARBPZSA-N 1 1 293.455 3.001 20 30 CGEDMO O[C@@H]1CC[N@@H+](CC#Cc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000895705289 619873414 /nfs/dbraw/zinc/87/34/14/619873414.db2.gz XYFGZMWZIPAEQG-WOJBJXKFSA-N 1 1 291.394 3.236 20 30 CGEDMO C=CCC1(O)CC[NH+](Cc2c(F)cccc2OCC)CC1 ZINC000895828276 619889676 /nfs/dbraw/zinc/88/96/76/619889676.db2.gz URCQFGQHOCMGCA-UHFFFAOYSA-N 1 1 293.382 3.127 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)cc1 ZINC000895848213 619896853 /nfs/dbraw/zinc/89/68/53/619896853.db2.gz YHQSIOBHBDIXIV-SJLPKXTDSA-N 1 1 287.403 3.252 20 30 CGEDMO N#CC1(C[NH2+][C@H]2CSCCc3ccccc32)CCC1 ZINC000841895679 619938580 /nfs/dbraw/zinc/93/85/80/619938580.db2.gz AYYFXLIDSFLAJK-HNNXBMFYSA-N 1 1 272.417 3.300 20 30 CGEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@@H]2CC=CCC2)CC1 ZINC000985259389 620145801 /nfs/dbraw/zinc/14/58/01/620145801.db2.gz SDOAVKJWTKIRBL-CQSZACIVSA-N 1 1 296.842 3.018 20 30 CGEDMO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000897154124 620152455 /nfs/dbraw/zinc/15/24/55/620152455.db2.gz MAFNWZUDMHSCOT-HZPDHXFCSA-N 1 1 299.418 3.020 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000897269963 620175397 /nfs/dbraw/zinc/17/53/97/620175397.db2.gz ULTPTYBFIQCVQU-GDBMZVCRSA-N 1 1 264.413 3.065 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)C(C)(C)C2CCCC2)CC1 ZINC000985471572 620197122 /nfs/dbraw/zinc/19/71/22/620197122.db2.gz YCKDUEIAKNBOIJ-UHFFFAOYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)C2(C3CC3)CCC2)CC1 ZINC000985553513 620208916 /nfs/dbraw/zinc/20/89/16/620208916.db2.gz INWVEVWVSUUBJV-UHFFFAOYSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)C2CCC(=C)CC2)CC1 ZINC000985613590 620221839 /nfs/dbraw/zinc/22/18/39/620221839.db2.gz AEFOJCQIGQVTJW-UHFFFAOYSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000985763823 620236836 /nfs/dbraw/zinc/23/68/36/620236836.db2.gz HAHBLTLSNUQEKE-UHFFFAOYSA-N 1 1 292.810 3.062 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CCSC[C@@H]2C)cc1 ZINC000179664130 620281559 /nfs/dbraw/zinc/28/15/59/620281559.db2.gz ZNFJLJARXMEMFT-AWEZNQCLSA-N 1 1 275.417 3.026 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000051559858 620319807 /nfs/dbraw/zinc/31/98/07/620319807.db2.gz OKWQKSQHBXMXQR-UHFFFAOYSA-N 1 1 252.289 3.132 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000051559858 620319812 /nfs/dbraw/zinc/31/98/12/620319812.db2.gz OKWQKSQHBXMXQR-UHFFFAOYSA-N 1 1 252.289 3.132 20 30 CGEDMO C=C(Cl)CN1CCC(C[N@@H+](C)CCCC)CC1 ZINC000052209646 620326184 /nfs/dbraw/zinc/32/61/84/620326184.db2.gz MAHJZXCLOMPLLU-UHFFFAOYSA-N 1 1 258.837 3.183 20 30 CGEDMO C=C(Cl)CN1CCC(C[N@H+](C)CCCC)CC1 ZINC000052209646 620326187 /nfs/dbraw/zinc/32/61/87/620326187.db2.gz MAHJZXCLOMPLLU-UHFFFAOYSA-N 1 1 258.837 3.183 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)C(C)=C3CCCC3)CCC[C@@H]12 ZINC000990194264 620537993 /nfs/dbraw/zinc/53/79/93/620537993.db2.gz ROQAFSPRAFZMJY-SJLPKXTDSA-N 1 1 288.435 3.176 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)C3=CCCC3)CCC[C@@H]12 ZINC000990222753 620538798 /nfs/dbraw/zinc/53/87/98/620538798.db2.gz LVFBQLVWDVUGRV-AEFFLSMTSA-N 1 1 288.435 3.176 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC3(C)C)CCC[C@@H]12 ZINC000990275705 620540028 /nfs/dbraw/zinc/54/00/28/620540028.db2.gz HLRVIASWYSBQAE-RKVPGOIHSA-N 1 1 290.451 3.112 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000898422310 620586314 /nfs/dbraw/zinc/58/63/14/620586314.db2.gz IQSVUCZXXWQZGZ-OCCSQVGLSA-N 1 1 252.427 3.001 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000898516153 620595172 /nfs/dbraw/zinc/59/51/72/620595172.db2.gz NBBPIRZEWHIBPC-JKSUJKDBSA-N 1 1 278.440 3.455 20 30 CGEDMO CCc1onc(C)c1C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000927138186 620599048 /nfs/dbraw/zinc/59/90/48/620599048.db2.gz DCZCITRIXBLKDM-SNVBAGLBSA-N 1 1 287.338 3.407 20 30 CGEDMO CC[C@@H]([NH2+]Cc1ccoc1)c1cccc(C#N)c1O ZINC000924750711 620621847 /nfs/dbraw/zinc/62/18/47/620621847.db2.gz UMESKDKKPYRGPC-CQSZACIVSA-N 1 1 256.305 3.098 20 30 CGEDMO CC1(C)CC[N@@H+](CCN=Cc2cc3ccccc3[nH]c2=O)C1 ZINC000899231821 620628774 /nfs/dbraw/zinc/62/87/74/620628774.db2.gz HRAARQJJFQBHFK-UNOMPAQXSA-N 1 1 297.402 3.091 20 30 CGEDMO C=CCOc1ccc(CNc2cc(C)[nH+]c(C)n2)cc1OC ZINC000902168734 621182393 /nfs/dbraw/zinc/18/23/93/621182393.db2.gz JSZOOHLWNVFZPN-UHFFFAOYSA-N 1 1 299.374 3.279 20 30 CGEDMO C=CCC[C@@H]([NH2+][C@@H](C)c1cn(C)nn1)c1ccccc1 ZINC000902881213 621482573 /nfs/dbraw/zinc/48/25/73/621482573.db2.gz GSUWLALQQNCASB-DZGCQCFKSA-N 1 1 270.380 3.173 20 30 CGEDMO COc1cc(C)ccc1[C@H](C)[NH2+]CC1(C#N)CCC1 ZINC000903031986 621535192 /nfs/dbraw/zinc/53/51/92/621535192.db2.gz OISZABWFKVWZGK-ZDUSSCGKSA-N 1 1 258.365 3.348 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CCC1)c1ccc(C#N)c(F)c1 ZINC000903032225 621535237 /nfs/dbraw/zinc/53/52/37/621535237.db2.gz GNJXBJPFSCYCQA-LLVKDONJSA-N 1 1 257.312 3.042 20 30 CGEDMO COc1ccc2c(c1)[C@H]([NH2+]CC1(C#N)CCC1)CCCO2 ZINC000903031142 621535412 /nfs/dbraw/zinc/53/54/12/621535412.db2.gz IXSVKCUYMWEZMS-OAHLLOKOSA-N 1 1 286.375 3.192 20 30 CGEDMO CC[C@@H]([NH2+][C@@H](c1nncn1C)C(C)C)c1cccc(C#N)c1 ZINC000903063148 621551448 /nfs/dbraw/zinc/55/14/48/621551448.db2.gz BUGKDQSNSJRAMU-HZPDHXFCSA-N 1 1 297.406 3.125 20 30 CGEDMO C[C@H]([NH2+]CC(C)(C)C#N)c1ccc(F)cc1N(C)C ZINC000903100471 621572703 /nfs/dbraw/zinc/57/27/03/621572703.db2.gz PLYNUVZGOGPIPO-NSHDSACASA-N 1 1 263.360 3.092 20 30 CGEDMO C[C@@H]([NH2+]CC(C)(C)C#N)c1ccc(F)cc1N(C)C ZINC000903100470 621572970 /nfs/dbraw/zinc/57/29/70/621572970.db2.gz PLYNUVZGOGPIPO-LLVKDONJSA-N 1 1 263.360 3.092 20 30 CGEDMO COc1ccc2c(c1)[C@H]([NH2+]CC(C)(C)C#N)CCS2 ZINC000903101245 621573849 /nfs/dbraw/zinc/57/38/49/621573849.db2.gz DIEJGRASLDUAOD-CYBMUJFWSA-N 1 1 276.405 3.371 20 30 CGEDMO N#CC1(C[NH2+][C@@H]2CCc3sc(Br)cc32)CC1 ZINC000903105634 621578510 /nfs/dbraw/zinc/57/85/10/621578510.db2.gz GKLVGUNBNWCJFM-SECBINFHSA-N 1 1 297.221 3.391 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1ccc(Cl)nc1 ZINC000903109993 621583579 /nfs/dbraw/zinc/58/35/79/621583579.db2.gz YAMZXEISBUUGRY-LLVKDONJSA-N 1 1 263.772 3.470 20 30 CGEDMO CC(C)(C#N)C[NH2+][C@@H](c1ccccc1F)C1CCOCC1 ZINC000903221951 621634008 /nfs/dbraw/zinc/63/40/08/621634008.db2.gz UWCVKDSYXQJSHM-MRXNPFEDSA-N 1 1 290.382 3.433 20 30 CGEDMO C[N@H+]1CC[C@@H](Nc2ccc(CCC#N)cc2)CC1(C)C ZINC000903294248 621663235 /nfs/dbraw/zinc/66/32/35/621663235.db2.gz REAPJYOLGSJEJX-MRXNPFEDSA-N 1 1 271.408 3.427 20 30 CGEDMO N#CCCc1ccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000903297804 621665102 /nfs/dbraw/zinc/66/51/02/621665102.db2.gz KLSXOKQERWJKGL-SJORKVTESA-N 1 1 269.392 3.181 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1cc2c(cc1O)CCC2 ZINC000904441721 621922928 /nfs/dbraw/zinc/92/29/28/621922928.db2.gz NJROQYKMELFWIP-UHFFFAOYSA-N 1 1 298.411 3.446 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(C2Cc3ccccc3C2)no1 ZINC000904593101 621942287 /nfs/dbraw/zinc/94/22/87/621942287.db2.gz HXZLVWMRWZLWAZ-OAHLLOKOSA-N 1 1 283.375 3.308 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ncccc2CC)no1 ZINC000904605784 621943990 /nfs/dbraw/zinc/94/39/90/621943990.db2.gz FGZLLGLAVIRLGQ-GFCCVEGCSA-N 1 1 272.352 3.050 20 30 CGEDMO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1cccnc1Cl ZINC000151376706 622775564 /nfs/dbraw/zinc/77/55/64/622775564.db2.gz NEGLEFLYAAKIFI-LLVKDONJSA-N 1 1 271.751 3.457 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc2c(cc1O)CCC2 ZINC000046477221 622974827 /nfs/dbraw/zinc/97/48/27/622974827.db2.gz CGNSMBCRSNBNJO-UHFFFAOYSA-N 1 1 292.382 3.385 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)C[C@H]3CC=CCC3)CCC[C@@H]12 ZINC000992121291 623441430 /nfs/dbraw/zinc/44/14/30/623441430.db2.gz TVMGXVFJMRTZPH-LZLYRXPVSA-N 1 1 288.435 3.032 20 30 CGEDMO C=CC[N@H+](C[C@@H](O)CCC1(O)CCC1)CC1CCCCC1 ZINC000929624253 623484964 /nfs/dbraw/zinc/48/49/64/623484964.db2.gz JBAHMECCVOLWMS-KRWDZBQOSA-N 1 1 295.467 3.111 20 30 CGEDMO COc1ccccc1C[C@H](C)[N@@H+](C)Cc1cncc(C#N)c1 ZINC000929725239 623531598 /nfs/dbraw/zinc/53/15/98/623531598.db2.gz HDDNQNHBOHAUOE-AWEZNQCLSA-N 1 1 295.386 3.025 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)c3ccc(C)cc3)CCC[C@H]12 ZINC000992420059 623551088 /nfs/dbraw/zinc/55/10/88/623551088.db2.gz HFCHSUPJNIVDNJ-PKOBYXMFSA-N 1 1 298.430 3.298 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)[C@@H](C)c3ccccc3)CCC[C@@H]12 ZINC000992429671 623554452 /nfs/dbraw/zinc/55/44/52/623554452.db2.gz MQVLUYWMXZJLSQ-WDYCEAGBSA-N 1 1 298.430 3.089 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C2CCCCC2)[C@H]1C ZINC000992987747 623769169 /nfs/dbraw/zinc/76/91/69/623769169.db2.gz REXBPBHQYCDFII-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000929827715 623800402 /nfs/dbraw/zinc/80/04/02/623800402.db2.gz VQPNNVIKYNODCU-WMZOPIPTSA-N 1 1 284.403 3.176 20 30 CGEDMO C[NH+]1CCC[C@@H]2C[N@@H+](CCCCC3(C#N)CCC3)CC[C@H]21 ZINC000929848763 623859802 /nfs/dbraw/zinc/85/98/02/623859802.db2.gz UFPZIPWQNPLVNF-IAGOWNOFSA-N 1 1 289.467 3.267 20 30 CGEDMO C[N@@H+]1CCC[C@@H]2CN(CCCCC3(C#N)CCC3)CC[C@H]21 ZINC000929848763 623859803 /nfs/dbraw/zinc/85/98/03/623859803.db2.gz UFPZIPWQNPLVNF-IAGOWNOFSA-N 1 1 289.467 3.267 20 30 CGEDMO C[N@H+]1CCC[C@@H]2CN(CCCCC3(C#N)CCC3)CC[C@H]21 ZINC000929848763 623859805 /nfs/dbraw/zinc/85/98/05/623859805.db2.gz UFPZIPWQNPLVNF-IAGOWNOFSA-N 1 1 289.467 3.267 20 30 CGEDMO C(=[NH+]OC[C@@H]1CCOC1)c1ccc(N2CCCCC2)s1 ZINC000788033770 623881534 /nfs/dbraw/zinc/88/15/34/623881534.db2.gz MEUWAQFMDUOPAC-CYBMUJFWSA-N 1 1 294.420 3.125 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C2C(C)(C)C2(C)C)[C@H]1C ZINC000993185186 623907882 /nfs/dbraw/zinc/90/78/82/623907882.db2.gz NXPCSMAAKGYHQY-ZIAGYGMSSA-N 1 1 292.467 3.214 20 30 CGEDMO COc1ccc(O)c(/C=N\C[C@H](C)[N@H+]2CCCC[C@@H]2C)c1 ZINC000915271151 623936540 /nfs/dbraw/zinc/93/65/40/623936540.db2.gz LUACMUGHLPYDHD-NGVROJSHSA-N 1 1 290.407 3.083 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2coc(C)c2)[C@H]1C ZINC000993300753 624000326 /nfs/dbraw/zinc/00/03/26/624000326.db2.gz KUBYVVHTXWEQBY-GDBMZVCRSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cscc2Cl)[C@@H]1C ZINC000993468002 624052191 /nfs/dbraw/zinc/05/21/91/624052191.db2.gz URQQLPKMYLPJOD-GWCFXTLKSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C2(C)CCCC2)[C@H]1C ZINC000993618413 624055554 /nfs/dbraw/zinc/05/55/54/624055554.db2.gz ADMYZFZUUNWDJQ-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CC2CC(C)(C)C2)[C@H]1C ZINC000993748072 624060950 /nfs/dbraw/zinc/06/09/50/624060950.db2.gz SXXBJHVPQNPAKD-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](CCC3CC3)[C@H]2C)C1 ZINC000993793597 624061949 /nfs/dbraw/zinc/06/19/49/624061949.db2.gz UUKCNLRFAFEWNR-HOCLYGCPSA-N 1 1 290.451 3.112 20 30 CGEDMO COc1ccccc1OCC[N@@H+](C)CCCC(C)(C)C#N ZINC000174830475 624164277 /nfs/dbraw/zinc/16/42/77/624164277.db2.gz RAXNESIBMKKTIR-UHFFFAOYSA-N 1 1 290.407 3.336 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C3CC3)cc2)[C@@H]1C ZINC000994457642 624230721 /nfs/dbraw/zinc/23/07/21/624230721.db2.gz YDYXIRFODTXHIN-KSSFIOAISA-N 1 1 298.430 3.333 20 30 CGEDMO CCC[C@H]1[C@H](C)CCC[N@H+]1Cc1cncc(C#N)c1 ZINC000930006708 624330857 /nfs/dbraw/zinc/33/08/57/624330857.db2.gz WOMVQPYGQHQBNY-CJNGLKHVSA-N 1 1 257.381 3.354 20 30 CGEDMO C=CCN(C(=O)NCCCC[N@H+]1CCCC[C@H]1C)C(C)C ZINC000918067977 624331429 /nfs/dbraw/zinc/33/14/29/624331429.db2.gz ZOMWDQXOVHKXBB-MRXNPFEDSA-N 1 1 295.471 3.247 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000920762519 624537381 /nfs/dbraw/zinc/53/73/81/624537381.db2.gz YRSIOIOCYSTRRQ-CQSZACIVSA-N 1 1 278.193 3.089 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC=CCC2)CC1 ZINC000997917512 625768926 /nfs/dbraw/zinc/76/89/26/625768926.db2.gz WOPBYESRAUDWOP-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC000998111998 625791251 /nfs/dbraw/zinc/79/12/51/625791251.db2.gz RTIUNLRVRMVVSS-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO CCc1nc(C[NH2+]Cc2c(C)cc(C#N)cc2C)cs1 ZINC000921709925 625851642 /nfs/dbraw/zinc/85/16/42/625851642.db2.gz HXRANPGEONEWQI-UHFFFAOYSA-N 1 1 285.416 3.484 20 30 CGEDMO CC(C)[C@@H]1CCC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000109462247 625865750 /nfs/dbraw/zinc/86/57/50/625865750.db2.gz DGAPSDOWXNXVAO-KRWDZBQOSA-N 1 1 272.392 3.448 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)C2CCCCCCC2)CC1 ZINC001000940709 625884310 /nfs/dbraw/zinc/88/43/10/625884310.db2.gz RCICOIYAJMZGNA-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)C2CCC(=C)CC2)CC1 ZINC001001116618 625890512 /nfs/dbraw/zinc/89/05/12/625890512.db2.gz DQCYTZOELDCQNZ-UHFFFAOYSA-N 1 1 288.435 3.057 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC001001122050 625891503 /nfs/dbraw/zinc/89/15/03/625891503.db2.gz ZFBGARLLKZSPMG-INIZCTEOSA-N 1 1 290.451 3.137 20 30 CGEDMO N#Cc1cc(C[NH2+]C2(c3cccc(C#N)c3)CC2)cs1 ZINC000921925421 625932388 /nfs/dbraw/zinc/93/23/88/625932388.db2.gz OGCSSHASTYJMLM-UHFFFAOYSA-N 1 1 279.368 3.270 20 30 CGEDMO C[C@@H](NCc1csc(C#N)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000922006171 625959420 /nfs/dbraw/zinc/95/94/20/625959420.db2.gz CXGQWYLCTPMZMX-CXAGYDPISA-N 1 1 299.443 3.401 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)C[C@@H]2CCC[C@H]2C)CC1 ZINC001002892324 625968725 /nfs/dbraw/zinc/96/87/25/625968725.db2.gz XXHKYGRCYFBHGP-OCCSQVGLSA-N 1 1 298.858 3.146 20 30 CGEDMO N#CC1(C[NH2+]Cc2cnn(CC3CCC3)c2)CCCCC1 ZINC000922249171 625990174 /nfs/dbraw/zinc/99/01/74/625990174.db2.gz FBYLLZNWWYMWEL-UHFFFAOYSA-N 1 1 286.423 3.247 20 30 CGEDMO Cc1nccc([C@@H]2CCC[N@@H+](CC3CCC(C#N)CC3)C2)n1 ZINC000929294020 626000542 /nfs/dbraw/zinc/00/05/42/626000542.db2.gz BOXONRXLXUTSLB-OFLPRAFFSA-N 1 1 298.434 3.294 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C2CCCC2)CC1 ZINC001004322134 626037342 /nfs/dbraw/zinc/03/73/42/626037342.db2.gz BOBSAYCQLTZPSH-KRWDZBQOSA-N 1 1 290.451 3.066 20 30 CGEDMO CCCCCCCC[N@H+]1CCC[C@@]12CCOC2=O ZINC000186636802 626065546 /nfs/dbraw/zinc/06/55/46/626065546.db2.gz RRAAHOJIUFAGKA-HNNXBMFYSA-N 1 1 253.386 3.128 20 30 CGEDMO C=CCOc1cccc(C[NH2+]Cc2cc(C3CC3)n(C)n2)c1 ZINC000922956140 626108093 /nfs/dbraw/zinc/10/80/93/626108093.db2.gz ZFCVMZXPUVWULL-UHFFFAOYSA-N 1 1 297.402 3.152 20 30 CGEDMO C=CCC1(C(=O)O[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCC1 ZINC000835397663 634483470 /nfs/dbraw/zinc/48/34/70/634483470.db2.gz UBQMKRQZIDBSML-LSDHHAIUSA-N 1 1 277.408 3.293 20 30 CGEDMO C=CCC1(C(=O)OCCCn2cc[nH+]c2C)CCCC1 ZINC000838280977 626209392 /nfs/dbraw/zinc/20/93/92/626209392.db2.gz VQDYSFWDAHOLOH-UHFFFAOYSA-N 1 1 276.380 3.261 20 30 CGEDMO CCCCCCNC(=O)[C@@H]1CCC[N@H+]([C@H](C)CCC#N)C1 ZINC000839475681 626354744 /nfs/dbraw/zinc/35/47/44/626354744.db2.gz DKSCQDJHAWMBEU-HZPDHXFCSA-N 1 1 293.455 3.087 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000886364209 626360668 /nfs/dbraw/zinc/36/06/68/626360668.db2.gz RWNXNFWIZMSOBJ-GFCCVEGCSA-N 1 1 258.752 3.057 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000886364209 626360669 /nfs/dbraw/zinc/36/06/69/626360669.db2.gz RWNXNFWIZMSOBJ-GFCCVEGCSA-N 1 1 258.752 3.057 20 30 CGEDMO COc1ccc(N[NH+]=Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000750946032 626371218 /nfs/dbraw/zinc/37/12/18/626371218.db2.gz MRWHSLAEMPKGSJ-UHFFFAOYSA-N 1 1 287.338 3.346 20 30 CGEDMO CCCCNN=C(C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000751527136 626394314 /nfs/dbraw/zinc/39/43/14/626394314.db2.gz QRSVCDZEQNWFDM-UHFFFAOYSA-N 1 1 270.380 3.294 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000753586078 626457099 /nfs/dbraw/zinc/45/70/99/626457099.db2.gz GCKKHFBOMZSILH-SFHVURJKSA-N 1 1 296.418 3.162 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000753586078 626457100 /nfs/dbraw/zinc/45/71/00/626457100.db2.gz GCKKHFBOMZSILH-SFHVURJKSA-N 1 1 296.418 3.162 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)CCC(=O)C(C)(C)C ZINC000753721418 626463336 /nfs/dbraw/zinc/46/33/36/626463336.db2.gz AXJXFXVPBQVSBY-UHFFFAOYSA-N 1 1 252.402 3.253 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)CCC(=O)C(C)(C)C ZINC000753721418 626463337 /nfs/dbraw/zinc/46/33/37/626463337.db2.gz AXJXFXVPBQVSBY-UHFFFAOYSA-N 1 1 252.402 3.253 20 30 CGEDMO C#C[C@H](CC)NC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000754393722 626571001 /nfs/dbraw/zinc/57/10/01/626571001.db2.gz GTFMQRAONSYHIP-QGZVFWFLSA-N 1 1 286.419 3.059 20 30 CGEDMO CCCCCCCCNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000754865807 626591377 /nfs/dbraw/zinc/59/13/77/626591377.db2.gz NRDNNVWGFQIXLS-HNNXBMFYSA-N 1 1 295.471 3.130 20 30 CGEDMO C#CC[N@H+](Cc1cc(F)cc(C(C)=O)c1O)C1CCCC1 ZINC000756911785 626740847 /nfs/dbraw/zinc/74/08/47/626740847.db2.gz WONDEKIDXOOINZ-UHFFFAOYSA-N 1 1 289.350 3.112 20 30 CGEDMO C=CCC[NH2+]C1(C(=O)OC(C)(C)C)CCCCC1 ZINC000759237755 626882999 /nfs/dbraw/zinc/88/29/99/626882999.db2.gz KUIODQGZNAVCSV-UHFFFAOYSA-N 1 1 253.386 3.197 20 30 CGEDMO C#CCC[N@H+](CCc1ccc(OC)c(OC)c1)CC(C)C ZINC000760839672 626995663 /nfs/dbraw/zinc/99/56/63/626995663.db2.gz HEGDHKUUTPYFKO-UHFFFAOYSA-N 1 1 289.419 3.228 20 30 CGEDMO N#Cc1ccc(F)c(C[NH2+]Cc2cnc(C3CC3)s2)c1 ZINC000761971100 627076818 /nfs/dbraw/zinc/07/68/18/627076818.db2.gz WVJSIBZREKITTQ-UHFFFAOYSA-N 1 1 287.363 3.321 20 30 CGEDMO CSc1ccc(C(C)=NN2CC[NH+](C)CC2)c(Cl)c1 ZINC000763338380 627152951 /nfs/dbraw/zinc/15/29/51/627152951.db2.gz KCNPESSYUXSFNF-UHFFFAOYSA-N 1 1 297.855 3.033 20 30 CGEDMO C#CCCC[N@@H+]1CCN(c2ccccc2)C[C@@H]1CC ZINC000763901802 627184486 /nfs/dbraw/zinc/18/44/86/627184486.db2.gz JUJRMVOYAPQRDZ-INIZCTEOSA-N 1 1 256.393 3.001 20 30 CGEDMO C=C(Cl)C[N@H+]1CCN(c2ccccc2)C[C@@H]1CC ZINC000763912052 627185027 /nfs/dbraw/zinc/18/50/27/627185027.db2.gz MAFCGXAIEOMKSV-AWEZNQCLSA-N 1 1 264.800 3.340 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCN(c2ccccc2)C[C@@H]1CC ZINC000763912052 627185028 /nfs/dbraw/zinc/18/50/28/627185028.db2.gz MAFCGXAIEOMKSV-AWEZNQCLSA-N 1 1 264.800 3.340 20 30 CGEDMO C=CCC(CC=C)C(=O)OCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000835600748 634553948 /nfs/dbraw/zinc/55/39/48/634553948.db2.gz XYVIKBZIJULVMA-VHRNVKJDSA-N 1 1 277.408 3.171 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(CSC(F)F)o1)C1CC1 ZINC000764676225 627217668 /nfs/dbraw/zinc/21/76/68/627217668.db2.gz GVZWKVAQVKXBCK-UHFFFAOYSA-N 1 1 271.332 3.333 20 30 CGEDMO C#CC[N@H+](Cc1ccc(CSC(F)F)o1)C1CC1 ZINC000764676225 627217671 /nfs/dbraw/zinc/21/76/71/627217671.db2.gz GVZWKVAQVKXBCK-UHFFFAOYSA-N 1 1 271.332 3.333 20 30 CGEDMO C=CCCC[C@@H](C)OC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000765480303 627252824 /nfs/dbraw/zinc/25/28/24/627252824.db2.gz KFOWYWNSBZNGIB-KGLIPLIRSA-N 1 1 253.386 3.149 20 30 CGEDMO C=CCCC[C@@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000765480303 627252826 /nfs/dbraw/zinc/25/28/26/627252826.db2.gz KFOWYWNSBZNGIB-KGLIPLIRSA-N 1 1 253.386 3.149 20 30 CGEDMO C#CCCCNc1cc(C)[nH+]c2c(OC)cccc12 ZINC000765509040 627254850 /nfs/dbraw/zinc/25/48/50/627254850.db2.gz MPQWBMPNVLCQDK-UHFFFAOYSA-N 1 1 254.333 3.377 20 30 CGEDMO FC(F)(F)Oc1ccc(N=NC2CC[N@H+]3CCC[C@@H]23)cc1 ZINC000765571678 627259620 /nfs/dbraw/zinc/25/96/20/627259620.db2.gz HRHANSCRUPSZGG-ZDUSSCGKSA-N 1 1 299.296 3.221 20 30 CGEDMO Brc1cccc(N=NC2CC[N@H+]3CCC[C@@H]23)c1 ZINC000765564175 627259950 /nfs/dbraw/zinc/25/99/50/627259950.db2.gz ODBSRXXASGUCBX-ZDUSSCGKSA-N 1 1 294.196 3.085 20 30 CGEDMO C=C(Br)C[N@@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000766212643 627303660 /nfs/dbraw/zinc/30/36/60/627303660.db2.gz SUTBVTSWCJMQEN-LLVKDONJSA-N 1 1 284.197 3.164 20 30 CGEDMO C=C(Br)C[N@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000766212643 627303667 /nfs/dbraw/zinc/30/36/67/627303667.db2.gz SUTBVTSWCJMQEN-LLVKDONJSA-N 1 1 284.197 3.164 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cn1c2ccccc2nc1SC(F)F ZINC000766662589 627350765 /nfs/dbraw/zinc/35/07/65/627350765.db2.gz HOCXOQBFZCSZAX-SNVBAGLBSA-N 1 1 295.358 3.262 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@H]1Cc1cccc(OC)c1 ZINC000766896288 627368442 /nfs/dbraw/zinc/36/84/42/627368442.db2.gz YTSGCYWVOMSTEA-INIZCTEOSA-N 1 1 257.377 3.116 20 30 CGEDMO C#CCCC[N@@H+](c1ccc(N2CCOCC2)cc1)C(C)C ZINC000766916910 627370141 /nfs/dbraw/zinc/37/01/41/627370141.db2.gz LUBZPVKWRWKRMR-UHFFFAOYSA-N 1 1 286.419 3.151 20 30 CGEDMO C=C[C@@H](CC(=O)OCCCn1cc[nH+]c1C)c1ccccc1 ZINC000767723703 627432161 /nfs/dbraw/zinc/43/21/61/627432161.db2.gz MDDWRLYPIQZQTA-INIZCTEOSA-N 1 1 298.386 3.485 20 30 CGEDMO C#CC[N@H+](Cc1ccn(C)c1)[C@@H]1CCc2ccccc21 ZINC000768130385 627461879 /nfs/dbraw/zinc/46/18/79/627461879.db2.gz QUOILANEVXGRJZ-GOSISDBHSA-N 1 1 264.372 3.148 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)C(C)C ZINC000768547409 627485952 /nfs/dbraw/zinc/48/59/52/627485952.db2.gz LFXQQSWHCUEFAC-CQSZACIVSA-N 1 1 258.365 3.374 20 30 CGEDMO C=CC[N@H+](Cc1cnc([C@@H]2CCCO2)s1)C(C)C ZINC000768548234 627486186 /nfs/dbraw/zinc/48/61/86/627486186.db2.gz YNQKNHOSOGFHCE-ZDUSSCGKSA-N 1 1 266.410 3.391 20 30 CGEDMO C=CC[N@@H+](Cc1cnc([C@@H]2CCCO2)s1)C(C)C ZINC000768548234 627486188 /nfs/dbraw/zinc/48/61/88/627486188.db2.gz YNQKNHOSOGFHCE-ZDUSSCGKSA-N 1 1 266.410 3.391 20 30 CGEDMO CC(C)[N@H+](CCC#N)Cc1ccc(N(C)CCC#N)cc1 ZINC000768764257 627497222 /nfs/dbraw/zinc/49/72/22/627497222.db2.gz MJBOINQMXVICON-UHFFFAOYSA-N 1 1 284.407 3.161 20 30 CGEDMO CC(C)[N@@H+](CCC#N)Cc1ccc(N(C)CCC#N)cc1 ZINC000768764257 627497225 /nfs/dbraw/zinc/49/72/25/627497225.db2.gz MJBOINQMXVICON-UHFFFAOYSA-N 1 1 284.407 3.161 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccc(OCC=C)c(Cl)c1 ZINC000769103902 627522289 /nfs/dbraw/zinc/52/22/89/627522289.db2.gz DLGVVAZIYVJPIA-UHFFFAOYSA-N 1 1 263.768 3.360 20 30 CGEDMO C#CC[N@H+](CC)Cc1cccc(-c2ccccn2)c1 ZINC000769111986 627523025 /nfs/dbraw/zinc/52/30/25/627523025.db2.gz UXKPDOCBZXZNHK-UHFFFAOYSA-N 1 1 250.345 3.204 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccc(OC)c(OCCCC)c1 ZINC000769112022 627523447 /nfs/dbraw/zinc/52/34/47/627523447.db2.gz VUVSTULEHFPTGD-UHFFFAOYSA-N 1 1 275.392 3.329 20 30 CGEDMO C#CC[N@H+](Cc1cnc(CC)s1)C1CCCCC1 ZINC000769145676 627526006 /nfs/dbraw/zinc/52/60/06/627526006.db2.gz MWMDVTABCBUSJW-UHFFFAOYSA-N 1 1 262.422 3.473 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1c(C)cc(C)c(C(C)=O)c1C ZINC000769961028 627593050 /nfs/dbraw/zinc/59/30/50/627593050.db2.gz MANGZXZXXROHPR-ZDUSSCGKSA-N 1 1 257.377 3.268 20 30 CGEDMO C=CC[N@H+](Cn1cnc2cc(C)c(C)cc21)C1CC1 ZINC000771640168 627724510 /nfs/dbraw/zinc/72/45/10/627724510.db2.gz LRLWKAVXJFLQPH-UHFFFAOYSA-N 1 1 255.365 3.261 20 30 CGEDMO C[C@@H](CC#N)NN=CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000771888586 627741200 /nfs/dbraw/zinc/74/12/00/627741200.db2.gz LFLVEXKCJNFEDF-HNNXBMFYSA-N 1 1 286.423 3.022 20 30 CGEDMO COc1c(C)cnc(C[NH2+]Cc2ccc(C#N)cc2F)c1C ZINC000772917783 627832573 /nfs/dbraw/zinc/83/25/73/627832573.db2.gz IKLPRKZTHOLNJY-UHFFFAOYSA-N 1 1 299.349 3.008 20 30 CGEDMO C#CCOc1ccccc1C[NH2+][C@H](C)c1c(C)onc1CC ZINC000772988488 627838106 /nfs/dbraw/zinc/83/81/06/627838106.db2.gz QGFJNIAVYGEIEX-CYBMUJFWSA-N 1 1 298.386 3.408 20 30 CGEDMO C#CCCCCC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000773276529 627870571 /nfs/dbraw/zinc/87/05/71/627870571.db2.gz WDVVLHZRAKFCNP-WMZOPIPTSA-N 1 1 298.430 3.132 20 30 CGEDMO CC[C@H]1[C@H](C)CC[N@H+]1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000774618481 628009763 /nfs/dbraw/zinc/00/97/63/628009763.db2.gz LLIVYQVCRYQEIK-KDOFPFPSSA-N 1 1 294.402 3.500 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000774767694 628025218 /nfs/dbraw/zinc/02/52/18/628025218.db2.gz PUPHYFUJSWNRSF-XIRDDKMYSA-N 1 1 291.439 3.053 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(C)cc(Br)c1 ZINC000775183094 628067763 /nfs/dbraw/zinc/06/77/63/628067763.db2.gz HRPUZWIANDGPSK-LLVKDONJSA-N 1 1 266.182 3.211 20 30 CGEDMO C#C[C@H]([NH2+][C@@H](C)c1ccccc1OC(F)F)[C@@H]1CCCO1 ZINC000775573455 628109657 /nfs/dbraw/zinc/10/96/57/628109657.db2.gz YNFCFZHTBJAXJZ-WHOFXGATSA-N 1 1 295.329 3.119 20 30 CGEDMO C#CC[N@H+](Cc1cc(OC)ccc1O)C1CCCCC1 ZINC000775664364 628122074 /nfs/dbraw/zinc/12/20/74/628122074.db2.gz MLYONXQSLXGXPF-UHFFFAOYSA-N 1 1 273.376 3.169 20 30 CGEDMO C=C[C@H](CC)OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000776104399 628167567 /nfs/dbraw/zinc/16/75/67/628167567.db2.gz OPJMFNLFJWWVAK-CVEARBPZSA-N 1 1 273.376 3.159 20 30 CGEDMO C=C[C@H](CC)OC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000776104399 628167570 /nfs/dbraw/zinc/16/75/70/628167570.db2.gz OPJMFNLFJWWVAK-CVEARBPZSA-N 1 1 273.376 3.159 20 30 CGEDMO C=CC[N@@H+](C)[C@@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC000778165996 628330444 /nfs/dbraw/zinc/33/04/44/628330444.db2.gz WRBUUGBIRIWSMA-LBPRGKRZSA-N 1 1 257.337 3.224 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC000778165996 628330447 /nfs/dbraw/zinc/33/04/47/628330447.db2.gz WRBUUGBIRIWSMA-LBPRGKRZSA-N 1 1 257.337 3.224 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)cc1 ZINC000779149749 628390089 /nfs/dbraw/zinc/39/00/89/628390089.db2.gz ORKJNXQLSZKTOM-IOASZLSFSA-N 1 1 276.355 3.157 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)cc1 ZINC000779149749 628390090 /nfs/dbraw/zinc/39/00/90/628390090.db2.gz ORKJNXQLSZKTOM-IOASZLSFSA-N 1 1 276.355 3.157 20 30 CGEDMO Cc1cccc2cc(C=NNc3cc[nH+]cc3)c(Cl)nc12 ZINC000779812245 628434522 /nfs/dbraw/zinc/43/45/22/628434522.db2.gz QSJFIJXIKTUGLJ-UHFFFAOYSA-N 1 1 296.761 3.460 20 30 CGEDMO C=CC[N@@H+](CN1C[C@@](C)(C2CCCC2)CC1=O)C1CC1 ZINC000780448486 628490413 /nfs/dbraw/zinc/49/04/13/628490413.db2.gz OGTMGPKNEFWDLJ-KRWDZBQOSA-N 1 1 276.424 3.023 20 30 CGEDMO C=CC[N@H+](CN1C[C@@](C)(C2CCCC2)CC1=O)C1CC1 ZINC000780448486 628490416 /nfs/dbraw/zinc/49/04/16/628490416.db2.gz OGTMGPKNEFWDLJ-KRWDZBQOSA-N 1 1 276.424 3.023 20 30 CGEDMO C#CCCCCCC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000780540589 628496943 /nfs/dbraw/zinc/49/69/43/628496943.db2.gz HVCMGYDCQVRLOJ-UHFFFAOYSA-N 1 1 290.451 3.047 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)c1ccc(F)cc1 ZINC000782185119 628622072 /nfs/dbraw/zinc/62/20/72/628622072.db2.gz WXOQKFMOZVKDPM-ACJLOTCBSA-N 1 1 298.361 3.424 20 30 CGEDMO COc1ccc(N=NC2C[N@H+](C(C)C)C[C@H]2C)cc1Cl ZINC000782231101 628628260 /nfs/dbraw/zinc/62/82/60/628628260.db2.gz RLPUMYOMQYZUQQ-LLVKDONJSA-N 1 1 295.814 3.477 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OCOCC)cc1)C(C)C ZINC000783415693 628710173 /nfs/dbraw/zinc/71/01/73/628710173.db2.gz SFWVYMKULVFEFS-UHFFFAOYSA-N 1 1 263.381 3.456 20 30 CGEDMO C[C@H]1CC(N=Nc2ccc(C#N)c(Cl)c2)C[N@H+]1C1CC1 ZINC000783878243 628754327 /nfs/dbraw/zinc/75/43/27/628754327.db2.gz SPUZFIDZPQJCFS-JTQLQIEISA-N 1 1 288.782 3.236 20 30 CGEDMO C#CCOc1ccccc1CNc1[nH]c2ccc(F)cc2[nH+]1 ZINC000784323357 628805499 /nfs/dbraw/zinc/80/54/99/628805499.db2.gz OORMNYWIVWDYKJ-UHFFFAOYSA-N 1 1 295.317 3.326 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000784484327 628815694 /nfs/dbraw/zinc/81/56/94/628815694.db2.gz YDFMUWWBCALLDA-DZGCQCFKSA-N 1 1 299.336 3.432 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805793235 628904773 /nfs/dbraw/zinc/90/47/73/628904773.db2.gz JQLJQXAXLZOMPB-QGZVFWFLSA-N 1 1 294.439 3.286 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000785998714 628906805 /nfs/dbraw/zinc/90/68/05/628906805.db2.gz LEODKRRWXNXCGX-MRXNPFEDSA-N 1 1 270.376 3.368 20 30 CGEDMO N#C[C@]1(F)CC[N@H+](Cn2ccc(=S)c3ccccc32)C1 ZINC000786102793 628914350 /nfs/dbraw/zinc/91/43/50/628914350.db2.gz VIMDOZGYRXFMCF-OAHLLOKOSA-N 1 1 287.363 3.266 20 30 CGEDMO N#C[C@]1(F)CC[N@@H+](Cn2ccc(=S)c3ccccc32)C1 ZINC000786102793 628914353 /nfs/dbraw/zinc/91/43/53/628914353.db2.gz VIMDOZGYRXFMCF-OAHLLOKOSA-N 1 1 287.363 3.266 20 30 CGEDMO C#CCC[N@@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000787342188 629009616 /nfs/dbraw/zinc/00/96/16/629009616.db2.gz NRTLADXBJGUGKE-UHFFFAOYSA-N 1 1 271.282 3.039 20 30 CGEDMO CC[C@H](c1ccccc1OC)[N@@H+](C)CCO[C@H](C)C#N ZINC000805836587 629012209 /nfs/dbraw/zinc/01/22/09/629012209.db2.gz SXXFDPMIQOQXNZ-UKRRQHHQSA-N 1 1 276.380 3.007 20 30 CGEDMO CCCCCCCCNC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000787474256 629014221 /nfs/dbraw/zinc/01/42/21/629014221.db2.gz QXWVGSANHFUCIR-OAHLLOKOSA-N 1 1 266.429 3.090 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)CCCCCCC)n1 ZINC000789328896 629124977 /nfs/dbraw/zinc/12/49/77/629124977.db2.gz BSAHGTQBJGNBKL-UHFFFAOYSA-N 1 1 261.413 3.309 20 30 CGEDMO C=CC[N@H+](Cc1c(C)[nH]c(C(=O)OCC)c1C)C(C)C ZINC000862223554 629325114 /nfs/dbraw/zinc/32/51/14/629325114.db2.gz IJEXEIKTOSECMM-UHFFFAOYSA-N 1 1 278.396 3.205 20 30 CGEDMO CCCCCCCCC[N@H+](C)Cc1nnc(C)[nH]1 ZINC000792253734 629352784 /nfs/dbraw/zinc/35/27/84/629352784.db2.gz JQKRHFGQEDYQKG-UHFFFAOYSA-N 1 1 252.406 3.296 20 30 CGEDMO CCCCCCCCC[N@@H+](C)Cc1nnc(C)[nH]1 ZINC000792253734 629352785 /nfs/dbraw/zinc/35/27/85/629352785.db2.gz JQKRHFGQEDYQKG-UHFFFAOYSA-N 1 1 252.406 3.296 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000862441118 629373491 /nfs/dbraw/zinc/37/34/91/629373491.db2.gz OQZJKSFJNLLXOS-NSHDSACASA-N 1 1 251.757 3.444 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cc(Br)ccc2F)C1 ZINC000862442476 629376048 /nfs/dbraw/zinc/37/60/48/629376048.db2.gz CISKGRDUKZYWIX-NSHDSACASA-N 1 1 296.183 3.433 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(OC)c(Cl)c2)C1 ZINC000862444872 629377511 /nfs/dbraw/zinc/37/75/11/629377511.db2.gz HVTJMKOPIGXTFO-GFCCVEGCSA-N 1 1 263.768 3.194 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(OC)c(OC)c2Cl)C1 ZINC000862445054 629377874 /nfs/dbraw/zinc/37/78/74/629377874.db2.gz KWJFCZNUEKONPQ-GFCCVEGCSA-N 1 1 293.794 3.202 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2coc(-c3ccc(C)cc3)n2)C1 ZINC000862445103 629378431 /nfs/dbraw/zinc/37/84/31/629378431.db2.gz LXWPFDCCQACTFO-OAHLLOKOSA-N 1 1 280.371 3.495 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC000862445294 629378736 /nfs/dbraw/zinc/37/87/36/629378736.db2.gz QBRPPUYTJJUOOV-HNNXBMFYSA-N 1 1 273.424 3.100 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(OCC)cc2C)C1 ZINC000862447293 629380198 /nfs/dbraw/zinc/38/01/98/629380198.db2.gz LIFLEAKCUCDSRA-HNNXBMFYSA-N 1 1 257.377 3.239 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cccc(F)c2OC(F)F)C1 ZINC000862447916 629381634 /nfs/dbraw/zinc/38/16/34/629381634.db2.gz SGJYTXNEOAUPKF-NSHDSACASA-N 1 1 283.293 3.272 20 30 CGEDMO C#CC[C@H]1CC[N@H+](C[C@H](C)c2cc(F)cc(F)c2)C1 ZINC000862447436 629381655 /nfs/dbraw/zinc/38/16/55/629381655.db2.gz MSFJNAMDGLTANA-STQMWFEESA-N 1 1 263.331 3.414 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)cc1 ZINC000862483579 629386684 /nfs/dbraw/zinc/38/66/84/629386684.db2.gz UZWFFWUNXATELT-FQEVSTJZSA-N 1 1 291.394 3.152 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793185233 629424840 /nfs/dbraw/zinc/42/48/40/629424840.db2.gz IJYKOIVFDLWWNZ-LLVKDONJSA-N 1 1 284.325 3.225 20 30 CGEDMO CC(C)[N@@H+](CCO[C@@H](C)C#N)[C@@H](C)c1ccccc1 ZINC000794694194 629567787 /nfs/dbraw/zinc/56/77/87/629567787.db2.gz ZSYKKUOMQNIULK-GJZGRUSLSA-N 1 1 260.381 3.387 20 30 CGEDMO C#CCOc1ccc([C@@H](C)NC[C@@H](C)[NH+](CC)CC)cc1 ZINC000794831138 629583091 /nfs/dbraw/zinc/58/30/91/629583091.db2.gz NMVNHKJZTIRIFP-HZPDHXFCSA-N 1 1 288.435 3.080 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795112740 629634243 /nfs/dbraw/zinc/63/42/43/629634243.db2.gz ZYISYZCAMIWNJL-LSDHHAIUSA-N 1 1 294.439 3.284 20 30 CGEDMO CO[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000864052747 629747152 /nfs/dbraw/zinc/74/71/52/629747152.db2.gz CTSMGQGZBGHLMF-YOEHRIQHSA-N 1 1 284.403 3.241 20 30 CGEDMO C=C(Cl)C[NH+]1CCC([C@@H](O)c2ccccc2C)CC1 ZINC000796404942 629776531 /nfs/dbraw/zinc/77/65/31/629776531.db2.gz DDVIDQQUMWMQIO-MRXNPFEDSA-N 1 1 279.811 3.493 20 30 CGEDMO C#CC[N@H+](CCC(=O)c1ccccc1)Cc1ccccc1 ZINC000796640106 629809144 /nfs/dbraw/zinc/80/91/44/629809144.db2.gz FYUDTLDHRBVOBX-UHFFFAOYSA-N 1 1 277.367 3.395 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000796683783 629814508 /nfs/dbraw/zinc/81/45/08/629814508.db2.gz OXNCQMWILGJEDZ-OAHLLOKOSA-N 1 1 280.412 3.086 20 30 CGEDMO C=C(C)C[NH+]1CCC(NCc2cc(C)nc(Cl)c2)CC1 ZINC000797599405 629967017 /nfs/dbraw/zinc/96/70/17/629967017.db2.gz IZFIXLXILPOGSB-UHFFFAOYSA-N 1 1 293.842 3.174 20 30 CGEDMO CCCCCCCC(=O)N1CCC[N@@H+](C)C[C@H]1CC ZINC000798141287 630026136 /nfs/dbraw/zinc/02/61/36/630026136.db2.gz FGUJRUQNLZHAIA-OAHLLOKOSA-N 1 1 268.445 3.290 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@H](c3ccccn3)C2)c1F ZINC000799192664 630156094 /nfs/dbraw/zinc/15/60/94/630156094.db2.gz CAMSYWJDDFOLOU-AWEZNQCLSA-N 1 1 281.334 3.082 20 30 CGEDMO CCCCCCCCCC[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000800467973 630282864 /nfs/dbraw/zinc/28/28/64/630282864.db2.gz CDRFQSQRMPBPED-OAHLLOKOSA-N 1 1 289.485 3.246 20 30 CGEDMO Cc1ccccc1[C@H]1CCC[N@@H+]1CCO[C@@H](C)C#N ZINC000801912930 630364972 /nfs/dbraw/zinc/36/49/72/630364972.db2.gz JBXWDYHMKFAINI-GOEBONIOSA-N 1 1 258.365 3.061 20 30 CGEDMO CC[N@@H+](CCO[C@@H](C)C#N)[C@H](C)c1ccc(F)cc1 ZINC000801915392 630365550 /nfs/dbraw/zinc/36/55/50/630365550.db2.gz JYOQWBPEUSRFMR-QWHCGFSZSA-N 1 1 264.344 3.137 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000801920770 630366981 /nfs/dbraw/zinc/36/69/81/630366981.db2.gz SDYDXUZRKLBVQD-IAQYHMDHSA-N 1 1 280.318 3.030 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000801924177 630367378 /nfs/dbraw/zinc/36/73/78/630367378.db2.gz RUQNVOPWHPJBMJ-CABCVRRESA-N 1 1 290.432 3.029 20 30 CGEDMO CC(=NNc1cc[nH+]cc1)c1c(F)cccc1Cl ZINC000807981143 630610983 /nfs/dbraw/zinc/61/09/83/630610983.db2.gz HUMFFXGBAJUWEP-UHFFFAOYSA-N 1 1 263.703 3.132 20 30 CGEDMO C#CC[N@@H+](Cc1cncc(OC)c1)[C@@H]1CCc2ccccc21 ZINC000808711533 630669303 /nfs/dbraw/zinc/66/93/03/630669303.db2.gz JHNJIBGPPWHLAN-LJQANCHMSA-N 1 1 292.382 3.213 20 30 CGEDMO C#CC[N@H+](Cc1cncc(OC)c1)[C@@H]1CCc2ccccc21 ZINC000808711533 630669305 /nfs/dbraw/zinc/66/93/05/630669305.db2.gz JHNJIBGPPWHLAN-LJQANCHMSA-N 1 1 292.382 3.213 20 30 CGEDMO C#Cc1ccc(CNCC[N@H+]2CCCC[C@@H]2CC)cc1 ZINC000809618415 630763689 /nfs/dbraw/zinc/76/36/89/630763689.db2.gz IHMADOFNZIIINJ-SFHVURJKSA-N 1 1 270.420 3.022 20 30 CGEDMO C#Cc1ccc(CNCC[N@@H+]2CCCC[C@@H]2CC)cc1 ZINC000809618415 630763695 /nfs/dbraw/zinc/76/36/95/630763695.db2.gz IHMADOFNZIIINJ-SFHVURJKSA-N 1 1 270.420 3.022 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1nc2c(s1)CCCC2)C(C)(C)C ZINC000809780922 630804831 /nfs/dbraw/zinc/80/48/31/630804831.db2.gz ALSRIENYYXAULM-CYBMUJFWSA-N 1 1 262.422 3.159 20 30 CGEDMO COc1ccc2c(c1)[C@@H]([NH2+]Cc1nc(C#N)cs1)CCC2 ZINC000810148205 630846998 /nfs/dbraw/zinc/84/69/98/630846998.db2.gz WCLZLOFPHFTGPQ-HNNXBMFYSA-N 1 1 299.399 3.191 20 30 CGEDMO CCCCCCCC(=O)O[C@H](C)Cn1cc[nH+]c1C ZINC000810616153 630906999 /nfs/dbraw/zinc/90/69/99/630906999.db2.gz QWOCYYYPFGENHD-CYBMUJFWSA-N 1 1 266.385 3.484 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)cc1 ZINC000811513070 631079538 /nfs/dbraw/zinc/07/95/38/631079538.db2.gz DBHFPXIEKHERJM-QGZVFWFLSA-N 1 1 251.373 3.432 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1cnc2ccccn12)c1ccc(Cl)cc1 ZINC000811516352 631082039 /nfs/dbraw/zinc/08/20/39/631082039.db2.gz MANVABFRNRQPEB-MRXNPFEDSA-N 1 1 295.773 3.452 20 30 CGEDMO C#CCOc1ccc(C[N@@H+](C)Cc2occc2C)cc1 ZINC000814175840 631538477 /nfs/dbraw/zinc/53/84/77/631538477.db2.gz ZVVVSKIMZOHEOA-UHFFFAOYSA-N 1 1 269.344 3.232 20 30 CGEDMO CC(=NOCC1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000814244038 631557629 /nfs/dbraw/zinc/55/76/29/631557629.db2.gz YAACZEVKJYUVAS-QGZVFWFLSA-N 1 1 272.392 3.311 20 30 CGEDMO CC(C)CNN=C1CCC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000814892605 631667511 /nfs/dbraw/zinc/66/75/11/631667511.db2.gz XYPZYUOIODSZSI-OAHLLOKOSA-N 1 1 273.424 3.273 20 30 CGEDMO CC(C)CNN=C1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000814892605 631667518 /nfs/dbraw/zinc/66/75/18/631667518.db2.gz XYPZYUOIODSZSI-OAHLLOKOSA-N 1 1 273.424 3.273 20 30 CGEDMO C[C@@H]1CC(N=Nc2ccc(F)c(F)c2F)C[N@H+]1C1CC1 ZINC000814946613 631696134 /nfs/dbraw/zinc/69/61/34/631696134.db2.gz STROIUNPDOOKJC-MRVPVSSYSA-N 1 1 283.297 3.128 20 30 CGEDMO C=CCOCC[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000815011552 631703307 /nfs/dbraw/zinc/70/33/07/631703307.db2.gz QVODODOKCYTYSE-UHFFFAOYSA-N 1 1 288.435 3.311 20 30 CGEDMO C[C@H](CC#N)[N@H+](C)C[C@H](O)c1cccc2ccccc21 ZINC000815061301 631709024 /nfs/dbraw/zinc/70/90/24/631709024.db2.gz PQWBRECAFBTIDC-DYVFJYSZSA-N 1 1 268.360 3.107 20 30 CGEDMO C[C@H](CC#N)[N@@H+](C)C[C@H](O)c1cccc2ccccc21 ZINC000815061301 631709030 /nfs/dbraw/zinc/70/90/30/631709030.db2.gz PQWBRECAFBTIDC-DYVFJYSZSA-N 1 1 268.360 3.107 20 30 CGEDMO C#CCNC(=O)CC[N@@H+]1CCC[C@H]1c1ccc(C(C)C)cc1 ZINC000815076658 631711710 /nfs/dbraw/zinc/71/17/10/631711710.db2.gz JVIMGCXJAUSGJT-SFHVURJKSA-N 1 1 298.430 3.086 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@@H+]2Cc3ccc(Br)cc3C2)C1 ZINC000815092681 631715159 /nfs/dbraw/zinc/71/51/59/631715159.db2.gz OAOCHXVAPIPXSF-YGRLFVJLSA-N 1 1 291.192 3.457 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2Cc3ccc(Br)cc3C2)C1 ZINC000815092681 631715161 /nfs/dbraw/zinc/71/51/61/631715161.db2.gz OAOCHXVAPIPXSF-YGRLFVJLSA-N 1 1 291.192 3.457 20 30 CGEDMO COc1ccc(C[N@H+]2C[C@H](C)[C@H]2C)cc1OCCCC#N ZINC000816647437 632032645 /nfs/dbraw/zinc/03/26/45/632032645.db2.gz SBUCNIKMWVNCSC-UONOGXRCSA-N 1 1 288.391 3.218 20 30 CGEDMO Nc1ccc2c(c1)C(=[NH+]OCc1cccnc1)CCCC2 ZINC000817325378 632121065 /nfs/dbraw/zinc/12/10/65/632121065.db2.gz AUDZNGHOXBNSKW-UHFFFAOYSA-N 1 1 281.359 3.311 20 30 CGEDMO COc1ccc(C[NH2+][C@H]2C[C@]2(F)c2ccccc2)cc1C#N ZINC000818230009 632299876 /nfs/dbraw/zinc/29/98/76/632299876.db2.gz LUWVNYZQPBHYEJ-ROUUACIJSA-N 1 1 296.345 3.294 20 30 CGEDMO C#C[C@H]([NH2+][C@H](C)c1ccc(OC)cc1Cl)[C@H]1CCCO1 ZINC000818337188 632309552 /nfs/dbraw/zinc/30/95/52/632309552.db2.gz IBXFDLBWQYQRTA-XFBWCDHKSA-N 1 1 293.794 3.180 20 30 CGEDMO COc1cccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1O ZINC000822525638 632961649 /nfs/dbraw/zinc/96/16/49/632961649.db2.gz KTENETKWJKWJDB-CYBMUJFWSA-N 1 1 296.370 3.465 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1CCC=CO1 ZINC000822526238 632962779 /nfs/dbraw/zinc/96/27/79/632962779.db2.gz RSSMWEDDHIPRAW-XJKSGUPXSA-N 1 1 256.349 3.244 20 30 CGEDMO C=CC[C@H]1[N@H+](C[C@@H]2CN(C3CC3)C(=O)O2)CCCC1(C)C ZINC000844324081 635869934 /nfs/dbraw/zinc/86/99/34/635869934.db2.gz LAWAYJVQZVDXBN-HUUCEWRRSA-N 1 1 292.423 3.036 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@](C)(O)c1ccccc1 ZINC000823591665 633124879 /nfs/dbraw/zinc/12/48/79/633124879.db2.gz LZXQOJMVVLQRKO-KXBFYZLASA-N 1 1 294.398 3.459 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000866581658 633201785 /nfs/dbraw/zinc/20/17/85/633201785.db2.gz AHOYJHVZWQUVKV-DAXOMENPSA-N 1 1 272.417 3.304 20 30 CGEDMO C#CC[N@H+](Cc1c(C2CC2)cnn1C)C1CCCCC1 ZINC000824633168 633266302 /nfs/dbraw/zinc/26/63/02/633266302.db2.gz ZMIFZVSFVONNEQ-UHFFFAOYSA-N 1 1 271.408 3.065 20 30 CGEDMO CCCc1ncc(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)o1 ZINC000825086338 633327238 /nfs/dbraw/zinc/32/72/38/633327238.db2.gz RVYQZMOTMAWBMW-CYBMUJFWSA-N 1 1 299.374 3.208 20 30 CGEDMO CCc1cccc(C[N@H+]2CCC[C@H](CC#N)C2)c1O ZINC000826861265 633437892 /nfs/dbraw/zinc/43/78/92/633437892.db2.gz CYZAOZILPBFHAS-CYBMUJFWSA-N 1 1 258.365 3.080 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)CC2=CCSC2)cc1 ZINC000827806850 633519976 /nfs/dbraw/zinc/51/99/76/633519976.db2.gz WUPOCJPTJVPLSP-CYBMUJFWSA-N 1 1 288.416 3.082 20 30 CGEDMO CC[C@@](C)([NH2+]Cc1ccncc1C#N)c1ccccc1 ZINC000828156244 633576470 /nfs/dbraw/zinc/57/64/70/633576470.db2.gz ZTGZFVBFUUHOOO-QGZVFWFLSA-N 1 1 265.360 3.368 20 30 CGEDMO Cc1ccc([C@@H](C)[NH2+]Cc2ccncc2C#N)s1 ZINC000828241393 633593454 /nfs/dbraw/zinc/59/34/54/633593454.db2.gz RHVXJEVVELOGTJ-LLVKDONJSA-N 1 1 257.362 3.174 20 30 CGEDMO C=CCCCC[N@H+](C)[C@H](C)CNC(=O)OC(C)(C)C ZINC000828292324 633602503 /nfs/dbraw/zinc/60/25/03/633602503.db2.gz DCCKKSYTDVCNRY-CYBMUJFWSA-N 1 1 270.417 3.188 20 30 CGEDMO C=CCCCC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000828564491 633628562 /nfs/dbraw/zinc/62/85/62/633628562.db2.gz QLYNJPFTNGJENS-QGZVFWFLSA-N 1 1 270.376 3.288 20 30 CGEDMO C=CCCCC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000828564491 633628566 /nfs/dbraw/zinc/62/85/66/633628566.db2.gz QLYNJPFTNGJENS-QGZVFWFLSA-N 1 1 270.376 3.288 20 30 CGEDMO C=CC(C)(C)C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC000888576357 633774592 /nfs/dbraw/zinc/77/45/92/633774592.db2.gz UGPRJEBJNMRQGS-UHFFFAOYSA-N 1 1 273.380 3.223 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000829784432 633783178 /nfs/dbraw/zinc/78/31/78/633783178.db2.gz KBZVRMCSKNQGLQ-OAHLLOKOSA-N 1 1 297.377 3.247 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2csc([C@@H](C)OCC)n2)C1 ZINC000829784721 633784300 /nfs/dbraw/zinc/78/43/00/633784300.db2.gz MEPVYBJBDBFEBR-KGLIPLIRSA-N 1 1 292.448 3.476 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2csc([C@@H](C)OCC)n2)C1 ZINC000829784721 633784305 /nfs/dbraw/zinc/78/43/05/633784305.db2.gz MEPVYBJBDBFEBR-KGLIPLIRSA-N 1 1 292.448 3.476 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000829806061 633790974 /nfs/dbraw/zinc/79/09/74/633790974.db2.gz ZKMIMZJMAQYCNG-LBPRGKRZSA-N 1 1 292.766 3.484 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000829810613 633792498 /nfs/dbraw/zinc/79/24/98/633792498.db2.gz RWEFALPEVDVHHL-OAHLLOKOSA-N 1 1 264.372 3.470 20 30 CGEDMO C#CC[C@H]1CCC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000829809702 633792617 /nfs/dbraw/zinc/79/26/17/633792617.db2.gz FAKMGYJCYQYAOE-GJZGRUSLSA-N 1 1 252.361 3.355 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](CCC(C)(C)CC(=O)OCC)C1 ZINC000829815028 633795175 /nfs/dbraw/zinc/79/51/75/633795175.db2.gz DUXPJYYYUDYFBI-HNNXBMFYSA-N 1 1 279.424 3.091 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2cccc(Br)n2)C1 ZINC000829815546 633796588 /nfs/dbraw/zinc/79/65/88/633796588.db2.gz OFBYMNSAALQLCH-GFCCVEGCSA-N 1 1 293.208 3.079 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cccc(Br)n2)C1 ZINC000829815546 633796591 /nfs/dbraw/zinc/79/65/91/633796591.db2.gz OFBYMNSAALQLCH-GFCCVEGCSA-N 1 1 293.208 3.079 20 30 CGEDMO CC(=O)[C@](C#N)(CCn1cc[nH+]c1C(C)C)c1ccccc1 ZINC000871664096 633815567 /nfs/dbraw/zinc/81/55/67/633815567.db2.gz RAOUCDZGKSSAFE-GOSISDBHSA-N 1 1 295.386 3.447 20 30 CGEDMO C#CC1CC[NH+](CC(=O)Nc2ccccc2C(C)(C)C)CC1 ZINC000830304884 633848737 /nfs/dbraw/zinc/84/87/37/633848737.db2.gz AWQGSWVSNCTJLE-UHFFFAOYSA-N 1 1 298.430 3.268 20 30 CGEDMO C[C@@H]1CCC(C)(C)[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000832564297 634072861 /nfs/dbraw/zinc/07/28/61/634072861.db2.gz FBFKHVNRLRXUGB-CYBMUJFWSA-N 1 1 258.365 3.352 20 30 CGEDMO CC(C)[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CC(C)(C)C1 ZINC000832764863 634093362 /nfs/dbraw/zinc/09/33/62/634093362.db2.gz QGYZRMLAJJLTDV-QGZVFWFLSA-N 1 1 286.419 3.491 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cn2ccc(-c3cccc(F)c3)n2)C1 ZINC000872624893 634178803 /nfs/dbraw/zinc/17/88/03/634178803.db2.gz YDJXMUUEPWNHFV-CQSZACIVSA-N 1 1 298.365 3.272 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cn2ccc(-c3cccc(F)c3)n2)C1 ZINC000872624893 634178809 /nfs/dbraw/zinc/17/88/09/634178809.db2.gz YDJXMUUEPWNHFV-CQSZACIVSA-N 1 1 298.365 3.272 20 30 CGEDMO Cc1cc(O)c(C[N@H+](C)[C@H]2CCC[C@H]2C#N)cc1C ZINC000872680381 634186114 /nfs/dbraw/zinc/18/61/14/634186114.db2.gz HAOIPZUFTBOJOH-ZFWWWQNUSA-N 1 1 258.365 3.133 20 30 CGEDMO C=CC(C)(C)C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000834883694 634265723 /nfs/dbraw/zinc/26/57/23/634265723.db2.gz OWZPFMLWYZPZAC-LLVKDONJSA-N 1 1 277.364 3.042 20 30 CGEDMO C[C@@H]1CC(N=Nc2cc(C(F)(F)F)ccn2)C[N@H+]1C1CC1 ZINC000834984205 634304491 /nfs/dbraw/zinc/30/44/91/634304491.db2.gz RYWHGWILMPBFLL-SECBINFHSA-N 1 1 298.312 3.125 20 30 CGEDMO C=CC[N@H+](C/C=C/c1ccc(N(C)C)cc1)C1CC1 ZINC000835048492 634333931 /nfs/dbraw/zinc/33/39/31/634333931.db2.gz SIWVRJAITCZQMT-AATRIKPKSA-N 1 1 256.393 3.416 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)C[C@@H]1CCN(c2ccccc2)C1 ZINC000876530482 634851592 /nfs/dbraw/zinc/85/15/92/634851592.db2.gz SGYGKHGBVPQRRM-KRWDZBQOSA-N 1 1 285.435 3.385 20 30 CGEDMO Cc1occc1C[N@@H+](C)Cc1cc(C#N)ccc1N(C)C ZINC000876635103 634872039 /nfs/dbraw/zinc/87/20/39/634872039.db2.gz MEGNTUUERLMBIU-UHFFFAOYSA-N 1 1 283.375 3.158 20 30 CGEDMO Cc1occc1C[N@H+](C)Cc1cc(C#N)ccc1N(C)C ZINC000876635103 634872040 /nfs/dbraw/zinc/87/20/40/634872040.db2.gz MEGNTUUERLMBIU-UHFFFAOYSA-N 1 1 283.375 3.158 20 30 CGEDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000876748252 634891417 /nfs/dbraw/zinc/89/14/17/634891417.db2.gz ZLTJTTXRAAKJFT-MFKMUULPSA-N 1 1 263.772 3.227 20 30 CGEDMO C=C[C@@](C)(CCOC)C(=O)OC[C@H]1CCCC[N@H+]1C(C)C ZINC000837656029 634959715 /nfs/dbraw/zinc/95/97/15/634959715.db2.gz LRJOSBOPCGCFEW-WBVHZDCISA-N 1 1 297.439 3.021 20 30 CGEDMO C=C[C@@H](C)[NH2+]Cc1nc(Cl)ccc1Br ZINC000877087895 634980652 /nfs/dbraw/zinc/98/06/52/634980652.db2.gz WBXJUADILBFEQL-SSDOTTSWSA-N 1 1 275.577 3.162 20 30 CGEDMO C#CCCCCCC[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000877140135 634999773 /nfs/dbraw/zinc/99/97/73/634999773.db2.gz NXBBOOOTADXKKY-KRWDZBQOSA-N 1 1 263.425 3.461 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1cnc2c(F)cccc2c1 ZINC000877363888 635030874 /nfs/dbraw/zinc/03/08/74/635030874.db2.gz IZVPBZVHJDDPIR-CYBMUJFWSA-N 1 1 257.312 3.156 20 30 CGEDMO Cc1ccc2c(c1)C(=O)/C(=C/c1c[nH+]c(N(C)C)n1C)CC2 ZINC000840716253 635041352 /nfs/dbraw/zinc/04/13/52/635041352.db2.gz KIIKBLWXCQNFMD-GXDHUFHOSA-N 1 1 295.386 3.007 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCn2c(C(C)C)nnc2[C@@H]1C ZINC000877465471 635046948 /nfs/dbraw/zinc/04/69/48/635046948.db2.gz XPWOMDQLDLQLFP-HNNXBMFYSA-N 1 1 288.439 3.362 20 30 CGEDMO C#CCCCCCC[N@H+]1CCn2c(C(C)C)nnc2[C@@H]1C ZINC000877465471 635046953 /nfs/dbraw/zinc/04/69/53/635046953.db2.gz XPWOMDQLDLQLFP-HNNXBMFYSA-N 1 1 288.439 3.362 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccnc2c(C(=O)OC)cccc12 ZINC000877465758 635047606 /nfs/dbraw/zinc/04/76/06/635047606.db2.gz WOLMYKSGBWOOGM-UHFFFAOYSA-N 1 1 284.359 3.029 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000877479068 635052801 /nfs/dbraw/zinc/05/28/01/635052801.db2.gz RNDXHUYYZHWPHE-KBPBESRZSA-N 1 1 291.357 3.205 20 30 CGEDMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000877532670 635075007 /nfs/dbraw/zinc/07/50/07/635075007.db2.gz WKBNMPMOCDGEDK-MFKMUULPSA-N 1 1 263.772 3.370 20 30 CGEDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000877623204 635117958 /nfs/dbraw/zinc/11/79/58/635117958.db2.gz ZCPCPQRKVDBFDA-AWEZNQCLSA-N 1 1 287.363 3.337 20 30 CGEDMO C[N@H+](CCc1cccc(C#N)c1)Cc1coc(C2CC2)n1 ZINC000877704081 635155536 /nfs/dbraw/zinc/15/55/36/635155536.db2.gz HJWUJFLXOKIYTO-UHFFFAOYSA-N 1 1 281.359 3.098 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1coc(C2CC2)n1 ZINC000877704081 635155539 /nfs/dbraw/zinc/15/55/39/635155539.db2.gz HJWUJFLXOKIYTO-UHFFFAOYSA-N 1 1 281.359 3.098 20 30 CGEDMO CC(C)(O)[C@H]1CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000877795512 635204910 /nfs/dbraw/zinc/20/49/10/635204910.db2.gz MUYBMRDEPFMRQL-KRWDZBQOSA-N 1 1 298.430 3.225 20 30 CGEDMO Cc1csc([C@@H]2CC[N@@H+](Cc3cc(C#N)cs3)C2)n1 ZINC000877812468 635217188 /nfs/dbraw/zinc/21/71/88/635217188.db2.gz ANBCSRHIHRSNBB-GFCCVEGCSA-N 1 1 289.429 3.374 20 30 CGEDMO C[C@@H]([NH2+]CCCCC#N)c1ccc(Cl)cc1O ZINC000841748832 635223595 /nfs/dbraw/zinc/22/35/95/635223595.db2.gz ZJPUJQVEOLACOP-SNVBAGLBSA-N 1 1 252.745 3.390 20 30 CGEDMO Cc1cc(C[N@@H+]2CCO[C@H](C(F)(F)F)CC2)ccc1C#N ZINC000877820495 635224033 /nfs/dbraw/zinc/22/40/33/635224033.db2.gz QQNASWHCGMAGNT-AWEZNQCLSA-N 1 1 298.308 3.020 20 30 CGEDMO Cc1cc(C[N@H+]2CCO[C@H](C(F)(F)F)CC2)ccc1C#N ZINC000877820495 635224039 /nfs/dbraw/zinc/22/40/39/635224039.db2.gz QQNASWHCGMAGNT-AWEZNQCLSA-N 1 1 298.308 3.020 20 30 CGEDMO C[C@H]([NH2+]CC1(CC#N)CC1)c1ccc(Cl)cc1O ZINC000841750709 635225184 /nfs/dbraw/zinc/22/51/84/635225184.db2.gz AJGBTUMMEUUDNE-JTQLQIEISA-N 1 1 264.756 3.390 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000877955230 635287080 /nfs/dbraw/zinc/28/70/80/635287080.db2.gz HVZPUPDUUOGMHA-HUUCEWRRSA-N 1 1 288.439 3.149 20 30 CGEDMO CC[C@H](C)C[N@@H+](C)CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878093113 635352260 /nfs/dbraw/zinc/35/22/60/635352260.db2.gz FMYCEZZNXCPUHR-MAUKXSAKSA-N 1 1 286.419 3.405 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000842628169 635420623 /nfs/dbraw/zinc/42/06/23/635420623.db2.gz RVTPLUAPIDWRCE-AWEZNQCLSA-N 1 1 269.388 3.116 20 30 CGEDMO C=CC[N@H+](CC[C@H]1CCCC1(F)F)[C@H](C)COC ZINC000878889555 635651445 /nfs/dbraw/zinc/65/14/45/635651445.db2.gz BOVDHUJCQHRWID-CHWSQXEVSA-N 1 1 261.356 3.335 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cnc(C(C)(C)C)nc2)C1 ZINC000843422099 635666956 /nfs/dbraw/zinc/66/69/56/635666956.db2.gz CAHAFVKIIPGBLP-CQSZACIVSA-N 1 1 271.408 3.009 20 30 CGEDMO C#CC1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000843427212 635671620 /nfs/dbraw/zinc/67/16/20/635671620.db2.gz VOYYFADCOGJVQI-UHFFFAOYSA-N 1 1 267.731 3.030 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CCOC[C@@H]2C2CCC2)cc1 ZINC000843428757 635672884 /nfs/dbraw/zinc/67/28/84/635672884.db2.gz MVUCEGZDGUDCEV-LJQANCHMSA-N 1 1 299.414 3.090 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ncccc2Br)C1 ZINC000879031981 635686507 /nfs/dbraw/zinc/68/65/07/635686507.db2.gz GRNYVFVBQONHHA-NSHDSACASA-N 1 1 281.197 3.242 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](O)c2ccccc2)cc1 ZINC000879241215 635731126 /nfs/dbraw/zinc/73/11/26/635731126.db2.gz RXFJLZSLIMEXBI-MOPGFXCFSA-N 1 1 292.382 3.256 20 30 CGEDMO C[N@@H+](CC[C@@H]1CC1(Cl)Cl)[C@H]1CCC[C@@H]1C#N ZINC000879308877 635750976 /nfs/dbraw/zinc/75/09/76/635750976.db2.gz JKIKAVRHAYAKFP-MXWKQRLJSA-N 1 1 261.196 3.194 20 30 CGEDMO N#CCC1(C[N@H+]2CCC[C@H](OC3CCC3)CC2)CC1 ZINC000879471816 635793570 /nfs/dbraw/zinc/79/35/70/635793570.db2.gz GJEDCFJLFIDYAF-HNNXBMFYSA-N 1 1 262.397 3.104 20 30 CGEDMO CC(C)(C#N)CC[NH+]1CCN(c2ccc(F)cc2F)CC1 ZINC000879597255 635817957 /nfs/dbraw/zinc/81/79/57/635817957.db2.gz GDKXOEBLTRGCEM-UHFFFAOYSA-N 1 1 293.361 3.027 20 30 CGEDMO CC(C)(O)[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000879962805 635889839 /nfs/dbraw/zinc/88/98/39/635889839.db2.gz CBEWYODCXHTFAY-OAHLLOKOSA-N 1 1 291.822 3.174 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000879963849 635889980 /nfs/dbraw/zinc/88/99/80/635889980.db2.gz QBVMIAYXPYIARA-CJNGLKHVSA-N 1 1 272.392 3.102 20 30 CGEDMO N#CCC1(C[N@H+]2CC[C@]3(CCc4ccccc43)C2)CC1 ZINC000879995882 635892946 /nfs/dbraw/zinc/89/29/46/635892946.db2.gz HBTHXDNVZFRDDO-GOSISDBHSA-N 1 1 266.388 3.270 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844441567 635903333 /nfs/dbraw/zinc/90/33/33/635903333.db2.gz OPQCMNNRZQZPPF-OAHLLOKOSA-N 1 1 276.330 3.488 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+](C)C1(Cc2ccccc2)CCCC1 ZINC000880120893 635917297 /nfs/dbraw/zinc/91/72/97/635917297.db2.gz JEEIXBCOURFPOY-INIZCTEOSA-N 1 1 286.419 3.402 20 30 CGEDMO CCCC(N)=[NH+]OCc1csc(C2CCCC2)n1 ZINC000105606029 635959438 /nfs/dbraw/zinc/95/94/38/635959438.db2.gz IVUQWELJGDDXSK-UHFFFAOYSA-N 1 1 267.398 3.390 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](c2nccs2)C1 ZINC000880319183 635973919 /nfs/dbraw/zinc/97/39/19/635973919.db2.gz CCVWXNQHZJZMKR-AWEZNQCLSA-N 1 1 299.399 3.013 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCCSC[C@@H]1c1ccccc1 ZINC000880388674 635991403 /nfs/dbraw/zinc/99/14/03/635991403.db2.gz TXSUVHIVDMVIMN-GOEBONIOSA-N 1 1 290.432 3.095 20 30 CGEDMO CC(C)(C#N)CC[N@@H+]1CCc2cc(F)c(F)cc2C1 ZINC000880443124 636000719 /nfs/dbraw/zinc/00/07/19/636000719.db2.gz BEGAKZOOHNVARE-UHFFFAOYSA-N 1 1 264.319 3.263 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCc2cc(F)c(F)cc2C1 ZINC000880443124 636000722 /nfs/dbraw/zinc/00/07/22/636000722.db2.gz BEGAKZOOHNVARE-UHFFFAOYSA-N 1 1 264.319 3.263 20 30 CGEDMO CC[N@H+](Cc1cc(F)ccc1C#N)[C@@H](CO)c1ccccc1 ZINC000880463063 636005535 /nfs/dbraw/zinc/00/55/35/636005535.db2.gz ZPFJIIJGKKULGU-SFHVURJKSA-N 1 1 298.361 3.253 20 30 CGEDMO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@@H](CO)c1ccccc1 ZINC000880463063 636005536 /nfs/dbraw/zinc/00/55/36/636005536.db2.gz ZPFJIIJGKKULGU-SFHVURJKSA-N 1 1 298.361 3.253 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@]3(CC3(F)F)C2)cc1 ZINC000846115753 636146579 /nfs/dbraw/zinc/14/65/79/636146579.db2.gz AAGPMKIIJHHEEE-DOMZBBRYSA-N 1 1 292.329 3.209 20 30 CGEDMO C#C[C@H]1CCC[N@H+](C[C@@H](OC)c2ccc(Cl)cc2)C1 ZINC000847020215 636312268 /nfs/dbraw/zinc/31/22/68/636312268.db2.gz XIMKQDFEMRRJHC-XJKSGUPXSA-N 1 1 277.795 3.373 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2sc(C)nc2C(F)(F)F)C1 ZINC000847020747 636312988 /nfs/dbraw/zinc/31/29/88/636312988.db2.gz DOOZMDCDIHFGQD-JTQLQIEISA-N 1 1 288.338 3.316 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2sc(C)nc2C(F)(F)F)C1 ZINC000847020747 636312991 /nfs/dbraw/zinc/31/29/91/636312991.db2.gz DOOZMDCDIHFGQD-JTQLQIEISA-N 1 1 288.338 3.316 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000847020883 636313009 /nfs/dbraw/zinc/31/30/09/636313009.db2.gz FJIDRONFWSVXIK-VQIMIIECSA-N 1 1 299.414 3.090 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2nnc(-c3ccccc3)s2)C1 ZINC000847022851 636313357 /nfs/dbraw/zinc/31/33/57/636313357.db2.gz YNEROSMWJVAAFI-CYBMUJFWSA-N 1 1 283.400 3.050 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3)s2)C1 ZINC000847022851 636313367 /nfs/dbraw/zinc/31/33/67/636313367.db2.gz YNEROSMWJVAAFI-CYBMUJFWSA-N 1 1 283.400 3.050 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccc(OC)cc3)o2)C1 ZINC000847022697 636314209 /nfs/dbraw/zinc/31/42/09/636314209.db2.gz JFARDLCIOCFNPW-CQSZACIVSA-N 1 1 296.370 3.195 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ncc(-c3ccc(OC)cc3)o2)C1 ZINC000847022697 636314210 /nfs/dbraw/zinc/31/42/10/636314210.db2.gz JFARDLCIOCFNPW-CQSZACIVSA-N 1 1 296.370 3.195 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C(C)C)cc2)C1 ZINC000847023902 636314789 /nfs/dbraw/zinc/31/47/89/636314789.db2.gz GIIKEWCTIYCMRR-HNNXBMFYSA-N 1 1 284.403 3.094 20 30 CGEDMO C#C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C(C)C)cc2)C1 ZINC000847023902 636314793 /nfs/dbraw/zinc/31/47/93/636314793.db2.gz GIIKEWCTIYCMRR-HNNXBMFYSA-N 1 1 284.403 3.094 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000847025688 636316654 /nfs/dbraw/zinc/31/66/54/636316654.db2.gz CQFXWMHVKOZTBF-LSDHHAIUSA-N 1 1 295.386 3.451 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000847027750 636316874 /nfs/dbraw/zinc/31/68/74/636316874.db2.gz WOMWDYZJPUPVPZ-NSHDSACASA-N 1 1 278.739 3.093 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000847027750 636316879 /nfs/dbraw/zinc/31/68/79/636316879.db2.gz WOMWDYZJPUPVPZ-NSHDSACASA-N 1 1 278.739 3.093 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2csc(CCCC)n2)C1 ZINC000847026411 636317015 /nfs/dbraw/zinc/31/70/15/636317015.db2.gz YRGYEFXJOILYHA-ZDUSSCGKSA-N 1 1 262.422 3.331 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2csc(CCCC)n2)C1 ZINC000847026411 636317017 /nfs/dbraw/zinc/31/70/17/636317017.db2.gz YRGYEFXJOILYHA-ZDUSSCGKSA-N 1 1 262.422 3.331 20 30 CGEDMO C#C[C@H]1CCC[N@@H+]([C@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000847026834 636317087 /nfs/dbraw/zinc/31/70/87/636317087.db2.gz QRTQAJPWWCUHNI-CABCVRRESA-N 1 1 295.386 3.067 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000847026834 636317091 /nfs/dbraw/zinc/31/70/91/636317091.db2.gz QRTQAJPWWCUHNI-CABCVRRESA-N 1 1 295.386 3.067 20 30 CGEDMO C#C[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000847031460 636318274 /nfs/dbraw/zinc/31/82/74/636318274.db2.gz QUIURVOCYJHRNR-OLZOCXBDSA-N 1 1 290.794 3.012 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000847031460 636318279 /nfs/dbraw/zinc/31/82/79/636318279.db2.gz QUIURVOCYJHRNR-OLZOCXBDSA-N 1 1 290.794 3.012 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](CCCC(=O)Nc2c(C)cccc2C)C1 ZINC000847028851 636318624 /nfs/dbraw/zinc/31/86/24/636318624.db2.gz KXGVVEMGTYOWCL-QGZVFWFLSA-N 1 1 298.430 3.367 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000847031825 636319023 /nfs/dbraw/zinc/31/90/23/636319023.db2.gz UYAMVQICHZGZQZ-GFCCVEGCSA-N 1 1 272.373 3.248 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000847031825 636319026 /nfs/dbraw/zinc/31/90/26/636319026.db2.gz UYAMVQICHZGZQZ-GFCCVEGCSA-N 1 1 272.373 3.248 20 30 CGEDMO C#C[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000847029971 636319168 /nfs/dbraw/zinc/31/91/68/636319168.db2.gz ORQKFINQIVLXJS-CVEARBPZSA-N 1 1 298.430 3.482 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000847029971 636319176 /nfs/dbraw/zinc/31/91/76/636319176.db2.gz ORQKFINQIVLXJS-CVEARBPZSA-N 1 1 298.430 3.482 20 30 CGEDMO Fc1cccc(F)c1N=NC1CCC[N@H+]2CCCC[C@@H]12 ZINC000848405866 636568227 /nfs/dbraw/zinc/56/82/27/636568227.db2.gz BNZZUYZRSLTNPN-AWEZNQCLSA-N 1 1 279.334 3.381 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1cn(-c2ccc(C)cc2)nc1C ZINC000848538146 636595867 /nfs/dbraw/zinc/59/58/67/636595867.db2.gz SZUHSEVNWZMMQL-UHFFFAOYSA-N 1 1 275.783 3.331 20 30 CGEDMO Cc1ccc(Cc2noc([C@@H]([NH3+])CCCCC#N)n2)cc1 ZINC000848620730 636620352 /nfs/dbraw/zinc/62/03/52/636620352.db2.gz GJKJCEAVNXXFFG-AWEZNQCLSA-N 1 1 284.363 3.053 20 30 CGEDMO N#CCCCC[C@H]([NH3+])c1nc(C2Cc3ccccc3C2)no1 ZINC000848622745 636622463 /nfs/dbraw/zinc/62/24/63/636622463.db2.gz YJFACLMHYWBENF-HNNXBMFYSA-N 1 1 296.374 3.036 20 30 CGEDMO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)OCc1ccccc1 ZINC000848921975 636692838 /nfs/dbraw/zinc/69/28/38/636692838.db2.gz YFLPWRRMJKGZNH-ZNMIVQPWSA-N 1 1 275.392 3.309 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000848923679 636694070 /nfs/dbraw/zinc/69/40/70/636694070.db2.gz IENQCXYFORSSJE-SNVBAGLBSA-N 1 1 267.731 3.030 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000848923679 636694072 /nfs/dbraw/zinc/69/40/72/636694072.db2.gz IENQCXYFORSSJE-SNVBAGLBSA-N 1 1 267.731 3.030 20 30 CGEDMO CC(=[NH+]OCC(F)(F)F)c1c(C)cc(N)cc1C ZINC000884440184 637026011 /nfs/dbraw/zinc/02/60/11/637026011.db2.gz AFFNDKBIMOFPNV-UHFFFAOYSA-N 1 1 260.259 3.189 20 30 CGEDMO C[N@@H+](C[C@H](O)CC1(C#N)CCC1)C1CCCCCC1 ZINC000885933579 637320210 /nfs/dbraw/zinc/32/02/10/637320210.db2.gz YEELDMQRDLMLBM-OAHLLOKOSA-N 1 1 264.413 3.086 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@@H]2Cc2ccccc2)CCC1 ZINC000885935939 637320221 /nfs/dbraw/zinc/32/02/21/637320221.db2.gz WQBRSWQDBPJGFY-QZTJIDSGSA-N 1 1 298.430 3.138 20 30 CGEDMO C[C@@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCC2)Cc2ccccc21 ZINC000885943691 637323796 /nfs/dbraw/zinc/32/37/96/637323796.db2.gz AFXMPGKLPSPOCQ-GDBMZVCRSA-N 1 1 284.403 3.051 20 30 CGEDMO Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000885962856 637333904 /nfs/dbraw/zinc/33/39/04/637333904.db2.gz HRXACROYGZDQID-CVEARBPZSA-N 1 1 286.419 3.433 20 30 CGEDMO CCS[C@H]1CCCC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886005690 637354660 /nfs/dbraw/zinc/35/46/60/637354660.db2.gz IBARTWIYMZPJFJ-GJZGRUSLSA-N 1 1 296.480 3.039 20 30 CGEDMO C[N@H+](Cc1cc2ccccc2o1)C[C@H](O)CC1(C#N)CCC1 ZINC000886029854 637373994 /nfs/dbraw/zinc/37/39/94/637373994.db2.gz CJWHHOPZBCMRNU-OAHLLOKOSA-N 1 1 298.386 3.309 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@@H](OC)C1 ZINC000851738456 637485110 /nfs/dbraw/zinc/48/51/10/637485110.db2.gz HKNJLGOGRSGEAF-DLBZAZTESA-N 1 1 270.376 3.114 20 30 CGEDMO C=CC[N@H+](C[C@H](O)c1ccccn1)CC1CCCCC1 ZINC000851770194 637496187 /nfs/dbraw/zinc/49/61/87/637496187.db2.gz ZQYQFFMGRAXVJJ-KRWDZBQOSA-N 1 1 274.408 3.183 20 30 CGEDMO C#CC[C@H]1CC[N@H+]([C@@H](C)c2nc(-c3cccs3)no2)C1 ZINC000886356322 637511805 /nfs/dbraw/zinc/51/18/05/637511805.db2.gz XZIIEXDISFFMFH-RYUDHWBXSA-N 1 1 287.388 3.204 20 30 CGEDMO C#CC[C@H]1CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000886357892 637513245 /nfs/dbraw/zinc/51/32/45/637513245.db2.gz MZPGGXZYTMADBN-OLZOCXBDSA-N 1 1 258.321 3.001 20 30 CGEDMO C#CC[C@H]1CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000886364196 637514366 /nfs/dbraw/zinc/51/43/66/637514366.db2.gz ROIOPHARMBFPAD-KGLIPLIRSA-N 1 1 272.348 3.309 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2sc(C)nc2C(F)(F)F)C1 ZINC000886364034 637514397 /nfs/dbraw/zinc/51/43/97/637514397.db2.gz MSGULZIGBJASQP-SNVBAGLBSA-N 1 1 288.338 3.316 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000852100031 637594476 /nfs/dbraw/zinc/59/44/76/637594476.db2.gz DXMDTNOISFRTFB-INIZCTEOSA-N 1 1 299.330 3.141 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000852102438 637595339 /nfs/dbraw/zinc/59/53/39/637595339.db2.gz XYNLKHZBRMWBMN-IBGZPJMESA-N 1 1 293.414 3.253 20 30 CGEDMO N#CCC1(C[N@@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)CC1 ZINC000886619243 637612973 /nfs/dbraw/zinc/61/29/73/637612973.db2.gz XMAVNDLBJYYQFK-AAEUAGOBSA-N 1 1 272.314 3.345 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](CCOC2CCCCCC2)C1 ZINC000852319080 637632400 /nfs/dbraw/zinc/63/24/00/637632400.db2.gz GUDZHROTTBKSEA-HNNXBMFYSA-N 1 1 264.413 3.351 20 30 CGEDMO Cc1ccc2c(c1)C[N@H+](Cc1ccc(OCC#N)cc1)CC2 ZINC000852403340 637645580 /nfs/dbraw/zinc/64/55/80/637645580.db2.gz CSKFUXNQJRQKGZ-UHFFFAOYSA-N 1 1 292.382 3.456 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+]([C@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC000852408952 637647805 /nfs/dbraw/zinc/64/78/05/637647805.db2.gz DKSPNTOKPZUQKR-WBVHZDCISA-N 1 1 298.386 3.060 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC000852408952 637647808 /nfs/dbraw/zinc/64/78/08/637647808.db2.gz DKSPNTOKPZUQKR-WBVHZDCISA-N 1 1 298.386 3.060 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](C[C@H](O)c2ccccc2F)C1 ZINC000852410540 637648354 /nfs/dbraw/zinc/64/83/54/637648354.db2.gz NFDFGMWCLOMNJU-BBRMVZONSA-N 1 1 263.356 3.147 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000852427318 637650969 /nfs/dbraw/zinc/65/09/69/637650969.db2.gz WJCGDDJQIGUQIR-DZGCQCFKSA-N 1 1 274.364 3.125 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000852427318 637650973 /nfs/dbraw/zinc/65/09/73/637650973.db2.gz WJCGDDJQIGUQIR-DZGCQCFKSA-N 1 1 274.364 3.125 20 30 CGEDMO Cc1csc(C[C@@H]2CCC[N@H+]([C@H]3CC[C@H](C#N)C3)C2)n1 ZINC000886692158 637656634 /nfs/dbraw/zinc/65/66/34/637656634.db2.gz SVHKOUXMFCWJTQ-KKUMJFAQSA-N 1 1 289.448 3.398 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)c1ccc(F)cc1 ZINC000852686132 637695055 /nfs/dbraw/zinc/69/50/55/637695055.db2.gz GKXNKVSFEAPSBX-OWCLPIDISA-N 1 1 261.340 3.042 20 30 CGEDMO C=C(Br)C[N@@H+](CCC1CC1)CC1CC1 ZINC000852717589 637699351 /nfs/dbraw/zinc/69/93/51/637699351.db2.gz MUZIKVRPPVEPJF-UHFFFAOYSA-N 1 1 258.203 3.407 20 30 CGEDMO CCc1[nH+]c(C=NN2CCCC[C@@H]2C)c2ccccn21 ZINC000853379875 637828643 /nfs/dbraw/zinc/82/86/43/637828643.db2.gz MYKYWYOVTUVHDA-ZDUSSCGKSA-N 1 1 270.380 3.105 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CCC1=NOCC1CCC1 ZINC000853439195 637842845 /nfs/dbraw/zinc/84/28/45/637842845.db2.gz FDEOHBIVKSYAIA-CQSZACIVSA-N 1 1 287.407 3.096 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000853537337 637863869 /nfs/dbraw/zinc/86/38/69/637863869.db2.gz VLNDJJRFTQDKCI-CYBMUJFWSA-N 1 1 291.391 3.198 20 30 CGEDMO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000853598518 637871731 /nfs/dbraw/zinc/87/17/31/637871731.db2.gz CAIQSMZDYGQHOQ-KRWDZBQOSA-N 1 1 288.391 3.131 20 30 CGEDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000853598518 637871733 /nfs/dbraw/zinc/87/17/33/637871733.db2.gz CAIQSMZDYGQHOQ-KRWDZBQOSA-N 1 1 288.391 3.131 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000853598810 637872117 /nfs/dbraw/zinc/87/21/17/637872117.db2.gz GNNIAHCWDCHDTL-KRWDZBQOSA-N 1 1 266.344 3.281 20 30 CGEDMO C=CC[N@@H+](CC1CCCCC1)CN1CCSC1=S ZINC000112200285 638047915 /nfs/dbraw/zinc/04/79/15/638047915.db2.gz KBJNNXPPRQSOPD-UHFFFAOYSA-N 1 1 284.494 3.346 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)[C@@H](C)C1 ZINC000930326327 638277976 /nfs/dbraw/zinc/27/79/76/638277976.db2.gz ZFUVDLYGGIHNQE-XHDPSFHLSA-N 1 1 278.783 3.211 20 30 CGEDMO C=C1CC(C)(c2noc([C@H]3CCC[N@H+]3C(C)C)n2)C1 ZINC000924124707 638302472 /nfs/dbraw/zinc/30/24/72/638302472.db2.gz HOJWAJXOLHEWES-GFCCVEGCSA-N 1 1 261.369 3.223 20 30 CGEDMO C=C1CC(C)(c2noc([C@H]3CCC[N@@H+]3C(C)C)n2)C1 ZINC000924124707 638302474 /nfs/dbraw/zinc/30/24/74/638302474.db2.gz HOJWAJXOLHEWES-GFCCVEGCSA-N 1 1 261.369 3.223 20 30 CGEDMO C=CCN(C(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1)C1CC1 ZINC000857171563 638466946 /nfs/dbraw/zinc/46/69/46/638466946.db2.gz DZJFBYCRPLWRCF-QGZVFWFLSA-N 1 1 298.430 3.286 20 30 CGEDMO C=CCC[C@H](c1ccco1)N1CCC([NH3+])(CC)CC1 ZINC000925760972 638601177 /nfs/dbraw/zinc/60/11/77/638601177.db2.gz VQJDHFKBWZSRIU-CQSZACIVSA-N 1 1 262.397 3.490 20 30 CGEDMO CCCCCCCNC(=O)N(C)CCCn1cc[nH+]c1C ZINC000858111165 638631241 /nfs/dbraw/zinc/63/12/41/638631241.db2.gz VQVYUFODPISSSM-UHFFFAOYSA-N 1 1 294.443 3.193 20 30 CGEDMO C#CCOc1cc(F)ccc1N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858391512 638702914 /nfs/dbraw/zinc/70/29/14/638702914.db2.gz JXRNMULVYMTBCL-AWEZNQCLSA-N 1 1 290.382 3.122 20 30 CGEDMO C[C@@H](C#N)Oc1ccccc1N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858403295 638705308 /nfs/dbraw/zinc/70/53/08/638705308.db2.gz ADPPSHBBEPTHPC-KBPBESRZSA-N 1 1 287.407 3.262 20 30 CGEDMO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)C(F)(F)c1ccccc1 ZINC000926611082 638791127 /nfs/dbraw/zinc/79/11/27/638791127.db2.gz IQPJVIYAXNZPJD-IPYPFGDCSA-N 1 1 281.346 3.348 20 30 CGEDMO Cc1cc(C)nc(C[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000929164140 638904231 /nfs/dbraw/zinc/90/42/31/638904231.db2.gz IZRMYIDAMPPCJP-UHFFFAOYSA-N 1 1 265.360 3.202 20 30 CGEDMO CC1CCC([N@@H+](Cc2cncc(C#N)c2)C2CC2)CC1 ZINC000929287083 638915504 /nfs/dbraw/zinc/91/55/04/638915504.db2.gz HGFUVLFZYWRBNK-UHFFFAOYSA-N 1 1 269.392 3.496 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000929331016 638919200 /nfs/dbraw/zinc/91/92/00/638919200.db2.gz QVPHZVXOFGKDDQ-INIZCTEOSA-N 1 1 272.392 3.176 20 30 CGEDMO CC(C)[N@@H+](CCc1ccns1)Cc1ccc(C#N)cc1 ZINC000929379481 638922681 /nfs/dbraw/zinc/92/26/81/638922681.db2.gz LUJNGALZLPCSNX-UHFFFAOYSA-N 1 1 285.416 3.468 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@H+](C)C(C2CC2)C2CC2)cc1 ZINC000929420097 638924298 /nfs/dbraw/zinc/92/42/98/638924298.db2.gz RMGVKVTUSDTBDZ-UHFFFAOYSA-N 1 1 296.414 3.117 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCCC[C@@H]2C2OCCO2)CCC1 ZINC000929503453 638929185 /nfs/dbraw/zinc/92/91/85/638929185.db2.gz HHJKXTIUAUXPNF-OAHLLOKOSA-N 1 1 292.423 3.078 20 30 CGEDMO CC[C@@H](C)[C@@H]1CCCC[N@H+]1Cc1cncc(C#N)c1 ZINC000929693827 638941766 /nfs/dbraw/zinc/94/17/66/638941766.db2.gz SKRPYZIAYFETFX-CJNGLKHVSA-N 1 1 257.381 3.354 20 30 CGEDMO CC[C@H]1C[N@@H+](CC2CCC(C#N)CC2)CCS1 ZINC000929752895 638947058 /nfs/dbraw/zinc/94/70/58/638947058.db2.gz HERSEZOKKXRRFN-RUXDESIVSA-N 1 1 252.427 3.144 20 30 CGEDMO C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cc1cncc(C#N)c1 ZINC000929770314 638949021 /nfs/dbraw/zinc/94/90/21/638949021.db2.gz WBFHZTMXTDTFHB-HNAYVOBHSA-N 1 1 291.398 3.406 20 30 CGEDMO C[N@H+](CCCCC1(C#N)CCC1)Cc1nccs1 ZINC000929770125 638949053 /nfs/dbraw/zinc/94/90/53/638949053.db2.gz WGRGOSOVRSSURI-UHFFFAOYSA-N 1 1 263.410 3.439 20 30 CGEDMO C[N@@H+](CCCCC1(C#N)CCC1)Cc1nccs1 ZINC000929770125 638949055 /nfs/dbraw/zinc/94/90/55/638949055.db2.gz WGRGOSOVRSSURI-UHFFFAOYSA-N 1 1 263.410 3.439 20 30 CGEDMO COC(=O)[C@H]([NH2+]CCCCC1(C#N)CCC1)C(C)(C)C ZINC000930022211 638969490 /nfs/dbraw/zinc/96/94/90/638969490.db2.gz GTPHXKTWGJJFTL-ZDUSSCGKSA-N 1 1 280.412 3.028 20 30 CGEDMO N#CC1(CCCC[N@@H+]2CC[C@H](C(F)F)C2)CCC1 ZINC000930127060 638976193 /nfs/dbraw/zinc/97/61/93/638976193.db2.gz NIVZPOBYYFXPSK-LBPRGKRZSA-N 1 1 256.340 3.438 20 30 CGEDMO C=CC[N@H+](C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000930176805 638979766 /nfs/dbraw/zinc/97/97/66/638979766.db2.gz VHFGDOYUUPFIAY-UONOGXRCSA-N 1 1 294.439 3.330 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCCC[C@@H]1C[C@H](C)O ZINC000930268918 638987317 /nfs/dbraw/zinc/98/73/17/638987317.db2.gz SPXWQZQLJPVAKJ-DOTOQJQBSA-N 1 1 286.419 3.301 20 30 CGEDMO N#CC1(CCCC[N@@H+]2Cc3ccncc3C2)CCC1 ZINC000930463347 639003786 /nfs/dbraw/zinc/00/37/86/639003786.db2.gz WXABBGKITSJOHU-UHFFFAOYSA-N 1 1 255.365 3.261 20 30 CGEDMO N#CC1(CCCC[N@H+]2Cc3ccncc3C2)CCC1 ZINC000930463347 639003788 /nfs/dbraw/zinc/00/37/88/639003788.db2.gz WXABBGKITSJOHU-UHFFFAOYSA-N 1 1 255.365 3.261 20 30 CGEDMO N#CC1CCC(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)CC1 ZINC000930521840 639017083 /nfs/dbraw/zinc/01/70/83/639017083.db2.gz LPLAEAPQTSBPED-SJJHQCBESA-N 1 1 288.435 3.350 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](C)CC(C)(C)C#N ZINC000930566808 639026741 /nfs/dbraw/zinc/02/67/41/639026741.db2.gz BIHXMGHHRWNNLW-UHFFFAOYSA-N 1 1 255.365 3.157 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+](C)CC(C)(C)C#N ZINC000930566808 639026747 /nfs/dbraw/zinc/02/67/47/639026747.db2.gz BIHXMGHHRWNNLW-UHFFFAOYSA-N 1 1 255.365 3.157 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H](O)C12CCCC2 ZINC000930571565 639029727 /nfs/dbraw/zinc/02/97/27/639029727.db2.gz KWBLXNOODKHSHW-KRWDZBQOSA-N 1 1 284.403 3.055 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C[C@H]1C ZINC000930638718 639043241 /nfs/dbraw/zinc/04/32/41/639043241.db2.gz ONFBUOGFZPFKKV-IAQYHMDHSA-N 1 1 278.783 3.068 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCSC[C@@H]2C2CC2)CC1 ZINC000930641895 639044081 /nfs/dbraw/zinc/04/40/81/639044081.db2.gz IFNZVADTOQAYRH-SSDMNJCBSA-N 1 1 264.438 3.144 20 30 CGEDMO CC(C)N1CC[C@H]([N@@H+](C)CCCCC2(C#N)CCC2)C1 ZINC000930673281 639051580 /nfs/dbraw/zinc/05/15/80/639051580.db2.gz SOGWUQYCJGCIBG-INIZCTEOSA-N 1 1 277.456 3.265 20 30 CGEDMO CC(C)[N@@H+]1CC[C@H](N(C)CCCCC2(C#N)CCC2)C1 ZINC000930673281 639051589 /nfs/dbraw/zinc/05/15/89/639051589.db2.gz SOGWUQYCJGCIBG-INIZCTEOSA-N 1 1 277.456 3.265 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](N(C)CCCCC2(C#N)CCC2)C1 ZINC000930673281 639051592 /nfs/dbraw/zinc/05/15/92/639051592.db2.gz SOGWUQYCJGCIBG-INIZCTEOSA-N 1 1 277.456 3.265 20 30 CGEDMO COC(=O)[C@@]1(C)CCC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000930738894 639061000 /nfs/dbraw/zinc/06/10/00/639061000.db2.gz RFYGEBCMCYCNDX-INIZCTEOSA-N 1 1 292.423 3.126 20 30 CGEDMO C[C@@H](CO)[C@H]1CCCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000930966850 639091528 /nfs/dbraw/zinc/09/15/28/639091528.db2.gz ZMKGLVMDQNUZIL-JKSUJKDBSA-N 1 1 278.440 3.333 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Br)nc1N)C(C)(C)C ZINC000931016308 639098154 /nfs/dbraw/zinc/09/81/54/639098154.db2.gz BPSGATAQTXXMMB-UHFFFAOYSA-N 1 1 298.228 3.213 20 30 CGEDMO C=CC[C@H]1CC[N@H+](C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000859446439 639142762 /nfs/dbraw/zinc/14/27/62/639142762.db2.gz ZWZNNWLZBVTNNG-XHDPSFHLSA-N 1 1 283.774 3.411 20 30 CGEDMO CC1(C)CCC(C)(C)[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000859471364 639147691 /nfs/dbraw/zinc/14/76/91/639147691.db2.gz CDYCACNXPOKCMS-MRXNPFEDSA-N 1 1 286.419 3.492 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000931474743 639157645 /nfs/dbraw/zinc/15/76/45/639157645.db2.gz IEGQJMPRRCLBRW-NVXWUHKLSA-N 1 1 267.376 3.299 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000931474743 639157649 /nfs/dbraw/zinc/15/76/49/639157649.db2.gz IEGQJMPRRCLBRW-NVXWUHKLSA-N 1 1 267.376 3.299 20 30 CGEDMO COc1ccc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1C ZINC000931475851 639157728 /nfs/dbraw/zinc/15/77/28/639157728.db2.gz MZQCFAHFOGRKAM-HUUCEWRRSA-N 1 1 258.365 3.128 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1C ZINC000931475851 639157732 /nfs/dbraw/zinc/15/77/32/639157732.db2.gz MZQCFAHFOGRKAM-HUUCEWRRSA-N 1 1 258.365 3.128 20 30 CGEDMO COc1cccc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)c1C ZINC000931473609 639157905 /nfs/dbraw/zinc/15/79/05/639157905.db2.gz AUOOGWUNISBFCU-UKRRQHHQSA-N 1 1 258.365 3.128 20 30 CGEDMO COc1cccc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)c1C ZINC000931473609 639157907 /nfs/dbraw/zinc/15/79/07/639157907.db2.gz AUOOGWUNISBFCU-UKRRQHHQSA-N 1 1 258.365 3.128 20 30 CGEDMO CO[C@H]1CC[C@H](C)[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000931474551 639158085 /nfs/dbraw/zinc/15/80/85/639158085.db2.gz GCEKWAKOFJPIHD-GJZGRUSLSA-N 1 1 264.413 3.350 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931913655 639227958 /nfs/dbraw/zinc/22/79/58/639227958.db2.gz NPMYJCXJQANPOE-CYBMUJFWSA-N 1 1 298.283 3.425 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931913655 639227960 /nfs/dbraw/zinc/22/79/60/639227960.db2.gz NPMYJCXJQANPOE-CYBMUJFWSA-N 1 1 298.283 3.425 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCS[C@@H](C(F)(F)F)C2)CC1 ZINC000932073642 639258892 /nfs/dbraw/zinc/25/88/92/639258892.db2.gz RDJFJDZHMMRQPZ-HTAVTVPLSA-N 1 1 292.370 3.296 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2ccn(C)n2)C1 ZINC000932136440 639271408 /nfs/dbraw/zinc/27/14/08/639271408.db2.gz MVZDRKPHGDZQNF-WMLDXEAASA-N 1 1 294.402 3.232 20 30 CGEDMO C[C@H](C[N@@H+](C)CCCC(C)(C)C#N)NC(=O)OC(C)(C)C ZINC000860093514 639281348 /nfs/dbraw/zinc/28/13/48/639281348.db2.gz CNVXWZNLGUGIPN-CYBMUJFWSA-N 1 1 297.443 3.161 20 30 CGEDMO C#CCCC[N@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000932191240 639290782 /nfs/dbraw/zinc/29/07/82/639290782.db2.gz RIFACQGUHHEJGV-CYBMUJFWSA-N 1 1 274.433 3.225 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000932344756 639317597 /nfs/dbraw/zinc/31/75/97/639317597.db2.gz CLYQNRTYDBMEJT-CQSZACIVSA-N 1 1 272.392 3.099 20 30 CGEDMO CC(C)C[N@@H+](CCC(C)(C)C#N)Cc1ccccn1 ZINC000932449631 639335516 /nfs/dbraw/zinc/33/55/16/639335516.db2.gz QUYVDYNKJUETTM-UHFFFAOYSA-N 1 1 259.397 3.479 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000932701663 639374976 /nfs/dbraw/zinc/37/49/76/639374976.db2.gz LUFFKWYXFRUQLY-KGLIPLIRSA-N 1 1 282.428 3.045 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](Cc2nc(C)cs2)C1 ZINC000933134055 639423608 /nfs/dbraw/zinc/42/36/08/639423608.db2.gz KKSFXEQYKZKFJH-CYBMUJFWSA-N 1 1 250.411 3.282 20 30 CGEDMO C#CCC1([NH2+]Cc2nc(CC(C)C)no2)CCCCC1 ZINC000933267187 639434746 /nfs/dbraw/zinc/43/47/46/639434746.db2.gz CFLSPAQXIBMDGE-UHFFFAOYSA-N 1 1 275.396 3.084 20 30 CGEDMO CCC[C@H](C)[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933630947 639472087 /nfs/dbraw/zinc/47/20/87/639472087.db2.gz WOBNEJIOHPAMKB-XJKSGUPXSA-N 1 1 258.365 3.120 20 30 CGEDMO CC(C)C[C@H](C)[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933629231 639472205 /nfs/dbraw/zinc/47/22/05/639472205.db2.gz NYWMOENIDHHVLA-WMLDXEAASA-N 1 1 272.392 3.366 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933708836 639480332 /nfs/dbraw/zinc/48/03/32/639480332.db2.gz BBFFELDYAUBHAR-MNOVXSKESA-N 1 1 285.313 3.249 20 30 CGEDMO C[N@@H+](CCCCCn1cccn1)Cc1cc(C#N)cs1 ZINC000933776934 639489327 /nfs/dbraw/zinc/48/93/27/639489327.db2.gz DBQONEBZDALDEF-UHFFFAOYSA-N 1 1 288.420 3.119 20 30 CGEDMO CCOc1ccc(CC[N@@H+](C)Cc2ccc(C#N)o2)cc1 ZINC000934718121 639665718 /nfs/dbraw/zinc/66/57/18/639665718.db2.gz CURRULOKLVUGBF-UHFFFAOYSA-N 1 1 284.359 3.224 20 30 CGEDMO Cc1c(Cl)cccc1N1CC[NH+](CCCC#N)CC1 ZINC000934724680 639666796 /nfs/dbraw/zinc/66/67/96/639666796.db2.gz ANWRCCKYTUJZAY-UHFFFAOYSA-N 1 1 277.799 3.074 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000934766329 639671888 /nfs/dbraw/zinc/67/18/88/639671888.db2.gz ONYVLYPELMIJAT-MAZHCROVSA-N 1 1 272.417 3.304 20 30 CGEDMO C#CC[N@H+](CCC(=O)Nc1cccc(F)c1)C1CCCC1 ZINC000155775985 639948654 /nfs/dbraw/zinc/94/86/54/639948654.db2.gz VTQCSAAKTOUHBC-UHFFFAOYSA-N 1 1 288.366 3.032 20 30 CGEDMO C#CC[N@H+](Cc1nc2cc(F)ccc2o1)C1CCCC1 ZINC000155752297 639949229 /nfs/dbraw/zinc/94/92/29/639949229.db2.gz OCGFBLLVTQEAJP-UHFFFAOYSA-N 1 1 272.323 3.345 20 30 CGEDMO CCC[C@]1(C)CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000156600947 639980963 /nfs/dbraw/zinc/98/09/63/639980963.db2.gz XIZNJBLAFRGTCW-ZWKOTPCHSA-N 1 1 286.419 3.494 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000158999983 640026386 /nfs/dbraw/zinc/02/63/86/640026386.db2.gz NWDIQJXGZBWYNS-UHFFFAOYSA-N 1 1 292.398 3.060 20 30 CGEDMO CCC[N@H+](Cc1ccccc1O)C[C@H](C#N)CCC#N ZINC000076074196 640173551 /nfs/dbraw/zinc/17/35/51/640173551.db2.gz OCXGGHANNPLJTL-AWEZNQCLSA-N 1 1 271.364 3.048 20 30 CGEDMO CCC[C@@]1(C)CCC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000246110059 640658048 /nfs/dbraw/zinc/65/80/48/640658048.db2.gz XIZNJBLAFRGTCW-MSOLQXFVSA-N 1 1 286.419 3.494 20 30 CGEDMO C[C@@H]1Cc2ccccc2C[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000246133642 640659297 /nfs/dbraw/zinc/65/92/97/640659297.db2.gz ZUKDIDXYAFVHEG-AUUYWEPGSA-N 1 1 292.382 3.038 20 30 CGEDMO C#CCOc1ccc(C[N@H+](C)Cc2ccccc2O)cc1 ZINC000091974448 640727861 /nfs/dbraw/zinc/72/78/61/640727861.db2.gz CNPXBVPWMHNBRR-UHFFFAOYSA-N 1 1 281.355 3.036 20 30 CGEDMO C#CC[NH2+]CC(=O)Nc1ccc(C(C)C)cc1C(C)C ZINC000092492413 640738004 /nfs/dbraw/zinc/73/80/04/640738004.db2.gz XJJPGTUVUQVLMC-UHFFFAOYSA-N 1 1 272.392 3.095 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001007327178 640940647 /nfs/dbraw/zinc/94/06/47/640940647.db2.gz LJNSRHULZZCYCT-HZPDHXFCSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2CCC)C1 ZINC001015208554 640977951 /nfs/dbraw/zinc/97/79/51/640977951.db2.gz LDOSNNLQNUMRMV-INIZCTEOSA-N 1 1 286.419 3.019 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCCC(C)(C)C2)C1 ZINC001015991771 640989420 /nfs/dbraw/zinc/98/94/20/640989420.db2.gz HADWBOMXVYWQCQ-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)CCC=C3)C1 ZINC001016008267 640990192 /nfs/dbraw/zinc/99/01/92/640990192.db2.gz CYJDYQDVMGZNGC-SFHVURJKSA-N 1 1 296.414 3.026 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCCC[C@@H]1C ZINC001018331966 641022188 /nfs/dbraw/zinc/02/21/88/641022188.db2.gz AIUQDUBWDKDZTC-LUKYLMHMSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCCC[C@@H]1C ZINC001018331966 641022191 /nfs/dbraw/zinc/02/21/91/641022191.db2.gz AIUQDUBWDKDZTC-LUKYLMHMSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[NH+]1CCN(c2ccc3ccc(Cl)cc3n2)CC1 ZINC001165032153 721868567 /nfs/dbraw/zinc/86/85/67/721868567.db2.gz KBYSATMCTWPAEO-UHFFFAOYSA-N 1 1 287.794 3.196 20 30 CGEDMO C[NH+](C)Cc1ccc2nc(-c3cccc(C#N)c3)[nH]c2c1 ZINC001250459074 805629779 /nfs/dbraw/zinc/62/97/79/805629779.db2.gz MQKOBINCIHLJCB-UHFFFAOYSA-N 1 1 276.343 3.163 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@H](C#N)CC2)cc2c1OCC=C2 ZINC001250512555 805666691 /nfs/dbraw/zinc/66/66/91/805666691.db2.gz HULDWFFFYXRHHA-AWEZNQCLSA-N 1 1 298.386 3.226 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)CC(C)C ZINC001156271331 805669858 /nfs/dbraw/zinc/66/98/58/805669858.db2.gz KVAYUNIFRJCLQN-CQSZACIVSA-N 1 1 268.445 3.071 20 30 CGEDMO C[N@H+]1CCC[C@@H](CCNc2cc(C#N)c3ccccc3n2)C1 ZINC001156387350 805683080 /nfs/dbraw/zinc/68/30/80/805683080.db2.gz DNIQRNGRUDHCDT-AWEZNQCLSA-N 1 1 294.402 3.250 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1cc(CC)c(CC)o1 ZINC001156409456 805686801 /nfs/dbraw/zinc/68/68/01/805686801.db2.gz MJZAAWTWXAQFJJ-CYBMUJFWSA-N 1 1 292.423 3.031 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)CCCCCC ZINC001156722046 805728075 /nfs/dbraw/zinc/72/80/75/805728075.db2.gz OZYTVWWDYNWVQW-OAHLLOKOSA-N 1 1 268.445 3.360 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1cc2ccccc2[nH]1 ZINC001156787770 805737093 /nfs/dbraw/zinc/73/70/93/805737093.db2.gz RJXMBALXVLREQT-CQSZACIVSA-N 1 1 299.418 3.184 20 30 CGEDMO C=C(C)C(=O)NCCCNc1[nH+]ccc2c(C)cccc21 ZINC001156820935 805738079 /nfs/dbraw/zinc/73/80/79/805738079.db2.gz XHMQYLXPBGPVJJ-UHFFFAOYSA-N 1 1 283.375 3.038 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)CCCCC ZINC001157041213 805768459 /nfs/dbraw/zinc/76/84/59/805768459.db2.gz JQYVCLDXRRWZEA-SJORKVTESA-N 1 1 294.483 3.443 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCSC ZINC001157510466 805825748 /nfs/dbraw/zinc/82/57/48/805825748.db2.gz RXECMOVXOXAIBA-OAHLLOKOSA-N 1 1 298.496 3.019 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC=CCC1 ZINC001157504236 805826701 /nfs/dbraw/zinc/82/67/01/805826701.db2.gz YJRODQOBIHETNY-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)C/C=C/Cl ZINC001157662016 805847302 /nfs/dbraw/zinc/84/73/02/805847302.db2.gz UGQDMYODEXKZEA-DNGMOHDESA-N 1 1 284.831 3.018 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)CCC ZINC001157718497 805857560 /nfs/dbraw/zinc/85/75/60/805857560.db2.gz UCLHACSBDAXVBV-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C(F)=C(C)C ZINC001157791621 805871003 /nfs/dbraw/zinc/87/10/03/805871003.db2.gz SLEWCAWFASROLG-CQSZACIVSA-N 1 1 282.403 3.139 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)C1CC(C)C1 ZINC001157790857 805872083 /nfs/dbraw/zinc/87/20/83/805872083.db2.gz LZMOLXIOSHLKHF-OFLPRAFFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)C[C@@H](F)CC ZINC001158018671 805915286 /nfs/dbraw/zinc/91/52/86/805915286.db2.gz GMDFKXUVBZGKQA-JKSUJKDBSA-N 1 1 298.446 3.404 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001158228172 805929629 /nfs/dbraw/zinc/92/96/29/805929629.db2.gz XJHJVJLMIBUFSR-BZUAXINKSA-N 1 1 292.467 3.168 20 30 CGEDMO Cc1[nH+]c(N[C@@H]2CCCC(F)(F)C2)ccc1CC#N ZINC001158335146 805941150 /nfs/dbraw/zinc/94/11/50/805941150.db2.gz GXHLQZUQBSULQG-GFCCVEGCSA-N 1 1 265.307 3.446 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccc(C=C)cc1 ZINC001158507416 805962130 /nfs/dbraw/zinc/96/21/30/805962130.db2.gz FSWAWPLRVUUZRL-GOSISDBHSA-N 1 1 298.430 3.442 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)CC(C)C ZINC001158667178 805982586 /nfs/dbraw/zinc/98/25/86/805982586.db2.gz KHHPHBDQLZOUOQ-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@H](O)[C@@H](C)C1 ZINC001252123550 806010404 /nfs/dbraw/zinc/01/04/04/806010404.db2.gz IXQDHNAQKMVDQM-ULQDDVLXSA-N 1 1 285.472 3.191 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CC[C@H](COC)C1 ZINC001252123592 806011748 /nfs/dbraw/zinc/01/17/48/806011748.db2.gz JTBHYTYPBYXLHR-HOTGVXAUSA-N 1 1 271.445 3.066 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCCC2(COC2)C1 ZINC001252125585 806012406 /nfs/dbraw/zinc/01/24/06/806012406.db2.gz FAEHWQFXEGAUJM-INIZCTEOSA-N 1 1 283.456 3.210 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+](C)CCN1CCCC1 ZINC001252130494 806014309 /nfs/dbraw/zinc/01/43/09/806014309.db2.gz RTIOJEQDPKRNJL-KRWDZBQOSA-N 1 1 284.488 3.126 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+](C)CCN1CCCC1 ZINC001252130494 806014316 /nfs/dbraw/zinc/01/43/16/806014316.db2.gz RTIOJEQDPKRNJL-KRWDZBQOSA-N 1 1 284.488 3.126 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+](CC)CCC#N ZINC001252129117 806015503 /nfs/dbraw/zinc/01/55/03/806015503.db2.gz WUSVOYWQCVXUDA-HNNXBMFYSA-N 1 1 254.418 3.333 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+](CC)CCC#N ZINC001252129117 806015513 /nfs/dbraw/zinc/01/55/13/806015513.db2.gz WUSVOYWQCVXUDA-HNNXBMFYSA-N 1 1 254.418 3.333 20 30 CGEDMO CCCCCCCC[C@@H](O)C[NH2+]Cc1ncc(C#N)s1 ZINC001252140175 806025875 /nfs/dbraw/zinc/02/58/75/806025875.db2.gz MMXUKZJNTNJDBE-CYBMUJFWSA-N 1 1 295.452 3.216 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)CCC)CC1 ZINC001159079775 806039649 /nfs/dbraw/zinc/03/96/49/806039649.db2.gz KOXSBSUZXLJEGB-OAHLLOKOSA-N 1 1 278.440 3.280 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+]1CCC[C@@H]1c1cc(F)cc(F)c1 ZINC001252556289 806064902 /nfs/dbraw/zinc/06/49/02/806064902.db2.gz GBGDFDJUMJLIJV-HUUCEWRRSA-N 1 1 267.319 3.039 20 30 CGEDMO C=C[C@](C)(O)C[N@@H+](C)Cc1ccc2ccccc2c1 ZINC001252556390 806065001 /nfs/dbraw/zinc/06/50/01/806065001.db2.gz DAKUGRWBGDLBOZ-KRWDZBQOSA-N 1 1 255.361 3.209 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC001252560169 806065494 /nfs/dbraw/zinc/06/54/94/806065494.db2.gz OLRCAPQTEGEXSD-RDJZCZTQSA-N 1 1 285.391 3.027 20 30 CGEDMO C=C[C@](C)(O)C[N@@H+](C)CCc1ccc(C(F)(F)F)cc1 ZINC001252562464 806068122 /nfs/dbraw/zinc/06/81/22/806068122.db2.gz SCTTZMHTLDAESN-AWEZNQCLSA-N 1 1 287.325 3.117 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001252602672 806083212 /nfs/dbraw/zinc/08/32/12/806083212.db2.gz DOZDDNFPICRTSC-HZPDHXFCSA-N 1 1 251.414 3.216 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC001252603343 806083278 /nfs/dbraw/zinc/08/32/78/806083278.db2.gz TWODGKHIJRJQAV-WMZOPIPTSA-N 1 1 291.410 3.407 20 30 CGEDMO C=CCC[C@@H](O)CN(C)C1CC[NH+](C2CCCCC2)CC1 ZINC001252604101 806083555 /nfs/dbraw/zinc/08/35/55/806083555.db2.gz MWSYRHVZERBRBG-GOSISDBHSA-N 1 1 294.483 3.042 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)C[C@H](C)C(C)C)CC1 ZINC001159549902 806120722 /nfs/dbraw/zinc/12/07/22/806120722.db2.gz LBRBAEYPXLWKTC-INIZCTEOSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CCNC(=O)C2=CCCC2)CC1 ZINC001159842879 806184917 /nfs/dbraw/zinc/18/49/17/806184917.db2.gz DXBRPWGGKZGYCX-UHFFFAOYSA-N 1 1 288.435 3.201 20 30 CGEDMO COc1cc2cc[nH+]c(NCCCS)c2cc1F ZINC001159871492 806189046 /nfs/dbraw/zinc/18/90/46/806189046.db2.gz HMJIUENFHMTVTH-UHFFFAOYSA-N 1 1 266.341 3.114 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCC(=O)C(C)(C)C1 ZINC001253238738 806190919 /nfs/dbraw/zinc/19/09/19/806190919.db2.gz DWWRROWHPYAYDU-HNNXBMFYSA-N 1 1 281.440 3.175 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+](C)[C@H](C(=O)OC)C(C)C ZINC001253241509 806192188 /nfs/dbraw/zinc/19/21/88/806192188.db2.gz XFCGPKYXZVZCOG-HOTGVXAUSA-N 1 1 299.455 3.003 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC001253240975 806192255 /nfs/dbraw/zinc/19/22/55/806192255.db2.gz PZTYCMRPBXLFJE-DLBZAZTESA-N 1 1 283.456 3.373 20 30 CGEDMO CCCCCCCCC[N@@H+](C)[C@H]1CCN(C2CC2)C1=O ZINC001253304251 806203011 /nfs/dbraw/zinc/20/30/11/806203011.db2.gz SMIASRKDPZZGPY-INIZCTEOSA-N 1 1 280.456 3.432 20 30 CGEDMO C=C[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccc(Cl)s1 ZINC001253580212 806263360 /nfs/dbraw/zinc/26/33/60/806263360.db2.gz WVRAGTODSBVWIG-NXEZZACHSA-N 1 1 257.786 3.085 20 30 CGEDMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1ncc(Cl)cc1C#N)C2 ZINC001160472723 806277463 /nfs/dbraw/zinc/27/74/63/806277463.db2.gz LEENRQXPLFYKBN-ZSOGYDGISA-N 1 1 290.798 3.034 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1ncc(SC)cc1C ZINC001160953746 806328470 /nfs/dbraw/zinc/32/84/70/806328470.db2.gz JAFCTFUSKXBXED-ZDUSSCGKSA-N 1 1 277.437 3.174 20 30 CGEDMO Cc1cccc2c1cc[nH+]c2NCc1cncc(C#N)c1 ZINC001160991998 806333287 /nfs/dbraw/zinc/33/32/87/806333287.db2.gz DQCBIJJHAVFDFB-UHFFFAOYSA-N 1 1 274.327 3.422 20 30 CGEDMO N#Cc1cnc(CNc2[nH+]ccc3ccccc32)s1 ZINC001161001611 806334104 /nfs/dbraw/zinc/33/41/04/806334104.db2.gz SOSRWHFLRAILQW-UHFFFAOYSA-N 1 1 266.329 3.175 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)C(C)C)CC1 ZINC001161375940 806372855 /nfs/dbraw/zinc/37/28/55/806372855.db2.gz FQUBKUFOYPBEHW-INIZCTEOSA-N 1 1 292.467 3.383 20 30 CGEDMO CN1CCC[C@H]([NH+]2CCC(c3ccc(C#N)cc3)CC2)CC1 ZINC001254527995 806443439 /nfs/dbraw/zinc/44/34/39/806443439.db2.gz APNSCMIQVWWCKR-IBGZPJMESA-N 1 1 297.446 3.222 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](CCOc2ccc3ccccc3c2)C1 ZINC001254566255 806452979 /nfs/dbraw/zinc/45/29/79/806452979.db2.gz VMILSHDPJKDQLW-IBGZPJMESA-N 1 1 297.398 3.496 20 30 CGEDMO CCCCCCCC[N@H+](CCN)[C@H]1CC[C@@H](C#N)C1 ZINC001254647557 806471079 /nfs/dbraw/zinc/47/10/79/806471079.db2.gz UOQDGKBHXUEIPI-CVEARBPZSA-N 1 1 265.445 3.300 20 30 CGEDMO CCCCCCCC[N@@H+](CCN)[C@H]1CC[C@@H](C#N)C1 ZINC001254647557 806471084 /nfs/dbraw/zinc/47/10/84/806471084.db2.gz UOQDGKBHXUEIPI-CVEARBPZSA-N 1 1 265.445 3.300 20 30 CGEDMO N#C[C@H]1CC[C@@H](N2CCC3(CCC[N@H+]3CC3CC3)CC2)C1 ZINC001254660328 806478484 /nfs/dbraw/zinc/47/84/84/806478484.db2.gz XHEAWTWEWUCLIY-DLBZAZTESA-N 1 1 287.451 3.019 20 30 CGEDMO COc1ccccc1[C@H](C)[N@@H+](C)[C@H]1CC[C@H](C#N)C1 ZINC001254668222 806479150 /nfs/dbraw/zinc/47/91/50/806479150.db2.gz FLRXYRSYCBCLOA-IHRRRGAJSA-N 1 1 258.365 3.380 20 30 CGEDMO Cc1ccccc1O[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC001254668726 806479931 /nfs/dbraw/zinc/47/99/31/806479931.db2.gz KNKFPCJDPISLAY-BZUAXINKSA-N 1 1 270.376 3.140 20 30 CGEDMO N#Cc1ccccc1O[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC001254671434 806481005 /nfs/dbraw/zinc/48/10/05/806481005.db2.gz REKPYOGBOHBWOE-USXIJHARSA-N 1 1 295.386 3.094 20 30 CGEDMO CC[C@H](CC#N)[NH2+]C1(c2ccc(OC)cc2)CCC1 ZINC001255159663 806558440 /nfs/dbraw/zinc/55/84/40/806558440.db2.gz ACQVBMJVSSPXFB-CQSZACIVSA-N 1 1 258.365 3.356 20 30 CGEDMO CC[C@@H](CC#N)[NH2+][C@H](C(=O)Nc1ccc(F)cc1)C(C)C ZINC001255160624 806559615 /nfs/dbraw/zinc/55/96/15/806559615.db2.gz MYGRZHBCTSOWOU-ZFWWWQNUSA-N 1 1 291.370 3.071 20 30 CGEDMO CC[C@@H](CC#N)[N@H+](CC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001255173679 806567304 /nfs/dbraw/zinc/56/73/04/806567304.db2.gz DBFALKTXSYGITE-KBPBESRZSA-N 1 1 295.427 3.010 20 30 CGEDMO CC[C@@H](CC#N)[N@@H+](CC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001255173679 806567309 /nfs/dbraw/zinc/56/73/09/806567309.db2.gz DBFALKTXSYGITE-KBPBESRZSA-N 1 1 295.427 3.010 20 30 CGEDMO CC[C@H](CC#N)[N@@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001255177292 806571164 /nfs/dbraw/zinc/57/11/64/806571164.db2.gz PPCIFBFXQLVXDV-NVXWUHKLSA-N 1 1 283.375 3.094 20 30 CGEDMO CC[C@H](CC#N)[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001255177292 806571168 /nfs/dbraw/zinc/57/11/68/806571168.db2.gz PPCIFBFXQLVXDV-NVXWUHKLSA-N 1 1 283.375 3.094 20 30 CGEDMO CC[C@@H](CC#N)[N@@H+](CC)Cc1ccc(N(C)C)cc1 ZINC001255178791 806572126 /nfs/dbraw/zinc/57/21/26/806572126.db2.gz JVZDRTOYYWESFE-HNNXBMFYSA-N 1 1 259.397 3.267 20 30 CGEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@@H](C)CCCC)C2 ZINC001255328338 806615171 /nfs/dbraw/zinc/61/51/71/806615171.db2.gz ITZOAFINXGSJLI-ULQDDVLXSA-N 1 1 281.440 3.391 20 30 CGEDMO C#C[C@](C)(CC)[NH2+][C@@H]1CCCN(Cc2ccccc2)CC1 ZINC001255393810 806632829 /nfs/dbraw/zinc/63/28/29/806632829.db2.gz RKDJKZWTBUNUFK-RTBURBONSA-N 1 1 284.447 3.433 20 30 CGEDMO CS[C@H]1CC[C@H]([N@@H+](C)Cc2ccccc2C#N)C1 ZINC000075920842 798924135 /nfs/dbraw/zinc/92/41/35/798924135.db2.gz FCHNSAWYSOSSAM-GJZGRUSLSA-N 1 1 260.406 3.274 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCCC[C@H]2C)cc1OC ZINC000077252915 798927850 /nfs/dbraw/zinc/92/78/50/798927850.db2.gz OHLVKHSIXHKMQW-CQSZACIVSA-N 1 1 273.376 3.082 20 30 CGEDMO C=C(Cl)C[NH2+][C@H](C)c1cnn(-c2ccccc2)c1 ZINC000163369074 799082450 /nfs/dbraw/zinc/08/24/50/799082450.db2.gz BHCLAYAUEXPRHT-GFCCVEGCSA-N 1 1 261.756 3.275 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC001255718674 806717466 /nfs/dbraw/zinc/71/74/66/806717466.db2.gz VVUNXTPKRFINOQ-SDDRHHMPSA-N 1 1 260.303 3.343 20 30 CGEDMO N#C[C@@H]1CCC[N@H+]([C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC001255718674 806717470 /nfs/dbraw/zinc/71/74/70/806717470.db2.gz VVUNXTPKRFINOQ-SDDRHHMPSA-N 1 1 260.303 3.343 20 30 CGEDMO C=CCCCCCCN1CC[N@H+]2CCCC[C@H]2C1 ZINC000310934234 799223509 /nfs/dbraw/zinc/22/35/09/799223509.db2.gz MFGUUOGYOFZFGT-INIZCTEOSA-N 1 1 250.430 3.293 20 30 CGEDMO C=CCCCCCC[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000310934234 799223511 /nfs/dbraw/zinc/22/35/11/799223511.db2.gz MFGUUOGYOFZFGT-INIZCTEOSA-N 1 1 250.430 3.293 20 30 CGEDMO C=CCCCCCC[N@H+]1CCN2CCCC[C@H]2C1 ZINC000310934234 799223516 /nfs/dbraw/zinc/22/35/16/799223516.db2.gz MFGUUOGYOFZFGT-INIZCTEOSA-N 1 1 250.430 3.293 20 30 CGEDMO C=C(Br)C[NH2+]C(C)(C)c1ccc(C)nc1 ZINC000380352009 799362448 /nfs/dbraw/zinc/36/24/48/799362448.db2.gz VOERYCXMHKZTRH-UHFFFAOYSA-N 1 1 269.186 3.123 20 30 CGEDMO C#CCNc1[nH+]cnc2c1c(C)c(C)n2C1CCCC1 ZINC001163362093 806747563 /nfs/dbraw/zinc/74/75/63/806747563.db2.gz LBZPGJLASUKEAM-UHFFFAOYSA-N 1 1 268.364 3.208 20 30 CGEDMO C[C@H](C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1)C(C)(C)C ZINC000402229185 799561428 /nfs/dbraw/zinc/56/14/28/799561428.db2.gz XZHQTZJSTYODNK-CZUORRHYSA-N 1 1 274.408 3.206 20 30 CGEDMO C[C@H](C[N@@H+](C)Cc1cccc(C#N)c1)C(F)(F)F ZINC000441158044 799615386 /nfs/dbraw/zinc/61/53/86/799615386.db2.gz OYLQMTPKSFVSFW-SNVBAGLBSA-N 1 1 256.271 3.188 20 30 CGEDMO Cc1cc(F)c(C#N)c(NCC[C@@H]2CCC[N@H+](C)C2)c1 ZINC001163459415 806766479 /nfs/dbraw/zinc/76/64/79/806766479.db2.gz CFPLGUFAPLRZKO-ZDUSSCGKSA-N 1 1 275.371 3.150 20 30 CGEDMO CCc1nc(C[NH2+]Cc2ccc(C)c(C#N)c2)cs1 ZINC000701829909 799895154 /nfs/dbraw/zinc/89/51/54/799895154.db2.gz LSNPDPHVMBKOQI-UHFFFAOYSA-N 1 1 271.389 3.175 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC000708223938 799984048 /nfs/dbraw/zinc/98/40/48/799984048.db2.gz RXEJIMWKVSJELJ-GOEBONIOSA-N 1 1 264.413 3.207 20 30 CGEDMO C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000708718225 799993490 /nfs/dbraw/zinc/99/34/90/799993490.db2.gz FPNHWAYPVVLHHK-CYBMUJFWSA-N 1 1 268.282 3.333 20 30 CGEDMO CC1(C)C[C@H](C[N@H+]2CCC[C@@H](CC#N)C2)C(C)(C)O1 ZINC000711278623 800051391 /nfs/dbraw/zinc/05/13/91/800051391.db2.gz JIOVVIVGNOODGA-UONOGXRCSA-N 1 1 264.413 3.206 20 30 CGEDMO C[C@@H]1[C@@H](Nc2ccc(C#N)c(C(F)(F)F)c2)CC[N@H+]1C ZINC000719602558 800245308 /nfs/dbraw/zinc/24/53/08/800245308.db2.gz OSVYWDQRVLQGCB-RNCFNFMXSA-N 1 1 283.297 3.082 20 30 CGEDMO CCCCCC[N@H+](C)CC(=O)O[C@H]1CCC[C@@H](C#N)C1 ZINC000839050038 800494611 /nfs/dbraw/zinc/49/46/11/800494611.db2.gz IPPCSGJVVHIJHP-CABCVRRESA-N 1 1 280.412 3.124 20 30 CGEDMO CCCCCC[N@@H+](C)CC(=O)O[C@H]1CCC[C@@H](C#N)C1 ZINC000839050038 800494616 /nfs/dbraw/zinc/49/46/16/800494616.db2.gz IPPCSGJVVHIJHP-CABCVRRESA-N 1 1 280.412 3.124 20 30 CGEDMO COc1cccc(C[C@H](C)[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC001256164423 806841094 /nfs/dbraw/zinc/84/10/94/806841094.db2.gz LYANYHGSXQQZCR-GJZGRUSLSA-N 1 1 272.392 3.252 20 30 CGEDMO N#Cc1ccc(F)c(C[NH2+][C@H](c2ccccn2)C2CC2)c1 ZINC000932375240 800660685 /nfs/dbraw/zinc/66/06/85/800660685.db2.gz MDULCBROXMWOBR-KRWDZBQOSA-N 1 1 281.334 3.333 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC=CCCC2)C1 ZINC001023442690 800709736 /nfs/dbraw/zinc/70/97/36/800709736.db2.gz BSNBDBCKVMVGPL-IRXDYDNUSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)C2CC(C)(C)C2)C1 ZINC001023349926 800710487 /nfs/dbraw/zinc/71/04/87/800710487.db2.gz AWWPVPZBKQWIGA-OAHLLOKOSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(Cl)s2)C1 ZINC001023734883 800715037 /nfs/dbraw/zinc/71/50/37/800715037.db2.gz GLVSVSUJDCWAKV-NSHDSACASA-N 1 1 298.839 3.029 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC12CC2 ZINC001024504885 800729796 /nfs/dbraw/zinc/72/97/96/800729796.db2.gz RNFYFAGNHHFXML-HZPDHXFCSA-N 1 1 290.451 3.114 20 30 CGEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C(C)C)c1 ZINC001024745072 800735482 /nfs/dbraw/zinc/73/54/82/800735482.db2.gz NEXISOJHRRPZHF-GOSISDBHSA-N 1 1 298.430 3.028 20 30 CGEDMO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)C12CCC(CC1)CC2 ZINC001024809436 800738093 /nfs/dbraw/zinc/73/80/93/800738093.db2.gz SSRXYWVRXZAQHB-UPTPFMHGSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCC ZINC001025190928 800746554 /nfs/dbraw/zinc/74/65/54/800746554.db2.gz CVXVVMHIGLHCIY-HZPDHXFCSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)/C(C)=C\C ZINC001025219794 800749867 /nfs/dbraw/zinc/74/98/67/800749867.db2.gz ZZTCALUUMKHPCF-PACMQTEUSA-N 1 1 290.451 3.374 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccsc2)C1 ZINC001025336176 800757001 /nfs/dbraw/zinc/75/70/01/800757001.db2.gz GVQXSPUDBOHPIC-KBPBESRZSA-N 1 1 292.448 3.155 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2C)C1 ZINC001025326008 800757095 /nfs/dbraw/zinc/75/70/95/800757095.db2.gz KLLDAXBMZLBCAV-HZPDHXFCSA-N 1 1 286.419 3.011 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CC(C)(C)C2)C1 ZINC001025412180 800760241 /nfs/dbraw/zinc/76/02/41/800760241.db2.gz PTDGFPGDOORMPR-LSDHHAIUSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CC(C)(C)C2)C1 ZINC001025412177 800761232 /nfs/dbraw/zinc/76/12/32/800761232.db2.gz PTDGFPGDOORMPR-CABCVRRESA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2cc(C)oc2C)C1 ZINC001027293446 800790463 /nfs/dbraw/zinc/79/04/63/800790463.db2.gz COUAIQWXAKNJAN-HNNXBMFYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)CCC2CCC2)C1 ZINC001027357841 800794114 /nfs/dbraw/zinc/79/41/14/800794114.db2.gz FKKFPLDITOSADV-HNNXBMFYSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)CCC2CCC2)C1 ZINC001027357841 800794118 /nfs/dbraw/zinc/79/41/18/800794118.db2.gz FKKFPLDITOSADV-HNNXBMFYSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC2(C)C)C1 ZINC001027536413 800800794 /nfs/dbraw/zinc/80/07/94/800800794.db2.gz QRLUDBIANOSGNQ-KBPBESRZSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC2(C)C)C1 ZINC001027536413 800800801 /nfs/dbraw/zinc/80/08/01/800800801.db2.gz QRLUDBIANOSGNQ-KBPBESRZSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@]2(C)C=CCC2)C1 ZINC001027531994 800801117 /nfs/dbraw/zinc/80/11/17/800801117.db2.gz UETBVFSBBGOYPT-GDBMZVCRSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@]2(C)C=CCC2)C1 ZINC001027531994 800801125 /nfs/dbraw/zinc/80/11/25/800801125.db2.gz UETBVFSBBGOYPT-GDBMZVCRSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@H]([N@@H+](C)CC3CCC3)C2)C1 ZINC001027566623 800803244 /nfs/dbraw/zinc/80/32/44/800803244.db2.gz KGHSDZVMZYFOGA-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C2(F)CCCCC2)C1 ZINC001027639140 800807842 /nfs/dbraw/zinc/80/78/42/800807842.db2.gz PFXHIZOKWIQETH-OAHLLOKOSA-N 1 1 296.430 3.158 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1C ZINC001027729276 800817922 /nfs/dbraw/zinc/81/79/22/800817922.db2.gz ADIOSSMHYYVUOV-INIZCTEOSA-N 1 1 286.419 3.155 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(CC)s1 ZINC001028010160 800828634 /nfs/dbraw/zinc/82/86/34/800828634.db2.gz VIDMEYWXKIXIKG-ZDUSSCGKSA-N 1 1 292.448 3.081 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1CCC ZINC001028018196 800828948 /nfs/dbraw/zinc/82/89/48/800828948.db2.gz OXUYOQUOKGBECG-INIZCTEOSA-N 1 1 286.419 3.019 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1CC ZINC001028100461 800831029 /nfs/dbraw/zinc/83/10/29/800831029.db2.gz FEEJQINRNCMTPL-MRXNPFEDSA-N 1 1 286.419 3.019 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001028126515 800834630 /nfs/dbraw/zinc/83/46/30/800834630.db2.gz LHKYICKWMWHUKV-JZXOWHBKSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1csc(C)c1 ZINC001028205116 800834935 /nfs/dbraw/zinc/83/49/35/800834935.db2.gz HJHWSQBJMZILCS-HNNXBMFYSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1Cl ZINC001028275648 800838669 /nfs/dbraw/zinc/83/86/69/800838669.db2.gz AHMHWONEGHAQOK-CYBMUJFWSA-N 1 1 292.810 3.110 20 30 CGEDMO C=CC[N@H+]1CC[C@H](CNC(=O)c2ccccc2C2CCC2)C1 ZINC001028956260 800855901 /nfs/dbraw/zinc/85/59/01/800855901.db2.gz BIVNHRFUUUJUSR-OAHLLOKOSA-N 1 1 298.430 3.192 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001028942174 800856264 /nfs/dbraw/zinc/85/62/64/800856264.db2.gz XNFKGXGYEJUCFY-ULQDDVLXSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C(C)C)s2)C1 ZINC001029008434 800857280 /nfs/dbraw/zinc/85/72/80/800857280.db2.gz BMEKIZZRULWQPV-ZDUSSCGKSA-N 1 1 292.448 3.109 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(C(C)C)s2)C1 ZINC001029008433 800857748 /nfs/dbraw/zinc/85/77/48/800857748.db2.gz BMEKIZZRULWQPV-CYBMUJFWSA-N 1 1 292.448 3.109 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[C@H](C[N@@H+](C)CC2CCC2)C1 ZINC001029828542 800876479 /nfs/dbraw/zinc/87/64/79/800876479.db2.gz CPJWWHPFZRWNPF-SJLPKXTDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)c2ccccc2C(C)C)C1 ZINC001030403873 800891585 /nfs/dbraw/zinc/89/15/85/800891585.db2.gz ARBOQOSMYRJYLR-UHFFFAOYSA-N 1 1 286.419 3.190 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1C(C)(C)C ZINC001032465400 800928845 /nfs/dbraw/zinc/92/88/45/800928845.db2.gz FTWIYWRDIZJXPV-GJZGRUSLSA-N 1 1 298.430 3.069 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1C(C)(C)C ZINC001032465400 800928850 /nfs/dbraw/zinc/92/88/50/800928850.db2.gz FTWIYWRDIZJXPV-GJZGRUSLSA-N 1 1 298.430 3.069 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C2CCC2)c1 ZINC001032733136 800934622 /nfs/dbraw/zinc/93/46/22/800934622.db2.gz LJURFBLHWXRCAW-ROUUACIJSA-N 1 1 296.414 3.039 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C2CCC2)c1 ZINC001032733136 800934628 /nfs/dbraw/zinc/93/46/28/800934628.db2.gz LJURFBLHWXRCAW-ROUUACIJSA-N 1 1 296.414 3.039 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C(C)C)c1 ZINC001032717027 800935080 /nfs/dbraw/zinc/93/50/80/800935080.db2.gz NSVZVUWOQBYGFR-ROUUACIJSA-N 1 1 298.430 3.285 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCCC1(C)C ZINC001032809255 800936519 /nfs/dbraw/zinc/93/65/19/800936519.db2.gz JBSGXPOIXJMLDI-HRCADAONSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C)c(C)o2)C1 ZINC001033002538 800948987 /nfs/dbraw/zinc/94/89/87/800948987.db2.gz SQYOBASLNWNARL-HNNXBMFYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2c(C)oc3ccccc32)C1 ZINC001033111174 800954048 /nfs/dbraw/zinc/95/40/48/800954048.db2.gz LYEZSQKQVGPEBL-CQSZACIVSA-N 1 1 298.386 3.074 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC=CCCC2)C1 ZINC001033185718 800956220 /nfs/dbraw/zinc/95/62/20/800956220.db2.gz UJTAKWZIUVQSDR-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC23CC3)C1 ZINC001033196908 800956436 /nfs/dbraw/zinc/95/64/36/800956436.db2.gz OFYVBLQMDSKYMT-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001033338712 800959304 /nfs/dbraw/zinc/95/93/04/800959304.db2.gz IMIGAHZYNSQMDC-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1 ZINC001033477008 800966145 /nfs/dbraw/zinc/96/61/45/800966145.db2.gz ZUXWMCIHOWFYTM-DAYGRLMNSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001033598706 800970355 /nfs/dbraw/zinc/97/03/55/800970355.db2.gz GUPWHQJQBDXMJM-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C)ccc2C)C1 ZINC001033617195 800972026 /nfs/dbraw/zinc/97/20/26/800972026.db2.gz NLOUCFZQVLGLAT-INIZCTEOSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001033693085 800974657 /nfs/dbraw/zinc/97/46/57/800974657.db2.gz OPPXOWATPKKMSO-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cocc2C)C1 ZINC001033925236 800989440 /nfs/dbraw/zinc/98/94/40/800989440.db2.gz CHJWGSLFPNIGAS-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(Cl)cc2)C1 ZINC001034029672 800995059 /nfs/dbraw/zinc/99/50/59/800995059.db2.gz MRKYZRHFSNOJIK-HNNXBMFYSA-N 1 1 292.810 3.062 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2oc(C)cc2C)C1 ZINC001034160212 801009608 /nfs/dbraw/zinc/00/96/08/801009608.db2.gz OKYIDLRNCKBHON-OAHLLOKOSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC23CC3)C1 ZINC001034271758 801014463 /nfs/dbraw/zinc/01/44/63/801014463.db2.gz IZFFMFFZMHLBEF-HZPDHXFCSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@H](C)C2CCC2)C1 ZINC001034266324 801014752 /nfs/dbraw/zinc/01/47/52/801014752.db2.gz NXURBENQTZZMGF-UKRRQHHQSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H](C)C2CCC2)C1 ZINC001034266324 801014758 /nfs/dbraw/zinc/01/47/58/801014758.db2.gz NXURBENQTZZMGF-UKRRQHHQSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2c(C)cccc2C)C1 ZINC001034421337 801025753 /nfs/dbraw/zinc/02/57/53/801025753.db2.gz XZBAMXPLWRGFGL-MRXNPFEDSA-N 1 1 286.419 3.074 20 30 CGEDMO C=Cc1ccc(C(=O)N[C@H]2CCCC[N@H+](CC(=C)C)C2)cc1 ZINC001034419794 801026207 /nfs/dbraw/zinc/02/62/07/801026207.db2.gz RFHITWVDYXLWBR-SFHVURJKSA-N 1 1 298.430 3.490 20 30 CGEDMO C=CC[N@H+]1CCCC[C@H](NC(=O)c2ccc(C=C)cc2)C1 ZINC001034420509 801026588 /nfs/dbraw/zinc/02/65/88/801026588.db2.gz UMLMJIFTGKTVQW-KRWDZBQOSA-N 1 1 284.403 3.100 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001034498085 801030903 /nfs/dbraw/zinc/03/09/03/801030903.db2.gz HUQIXDALBAEISC-ULQDDVLXSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)C(F)=C(C)C)CC2 ZINC001035175725 801054484 /nfs/dbraw/zinc/05/44/84/801054484.db2.gz QFTAGJZVHCDWLS-UHFFFAOYSA-N 1 1 294.414 3.140 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CC=C(C)C)C1 ZINC001036788782 801090128 /nfs/dbraw/zinc/09/01/28/801090128.db2.gz HFUKDLMJKCDDHJ-JKSUJKDBSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C1CCC(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CCC)C2)CC1 ZINC001036811278 801091327 /nfs/dbraw/zinc/09/13/27/801091327.db2.gz OJGGYBUGNHOXPU-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1coc2c1cccc2C ZINC001038342724 801124090 /nfs/dbraw/zinc/12/40/90/801124090.db2.gz VRVOZJWDGYHTBF-AWEZNQCLSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1coc2c1cccc2C ZINC001038342724 801124093 /nfs/dbraw/zinc/12/40/93/801124093.db2.gz VRVOZJWDGYHTBF-AWEZNQCLSA-N 1 1 298.386 3.121 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(CCC)cc1 ZINC001038644048 801130973 /nfs/dbraw/zinc/13/09/73/801130973.db2.gz OWAKZZQVXJRUAT-KRWDZBQOSA-N 1 1 286.419 3.019 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H]2CC[N@H+]2CC2CCCC2)CC1 ZINC001038660985 801130976 /nfs/dbraw/zinc/13/09/76/801130976.db2.gz JHPGRJNFWDKNPU-KRWDZBQOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)c1c(C)cccc1C ZINC001038737347 801131720 /nfs/dbraw/zinc/13/17/20/801131720.db2.gz YZCHLZGRIGELPK-INIZCTEOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C)c2ccccc12 ZINC001038751948 801132766 /nfs/dbraw/zinc/13/27/66/801132766.db2.gz JWCKDUJSKMUKOK-OAHLLOKOSA-N 1 1 294.398 3.138 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C)c2ccccc12 ZINC001038751948 801132771 /nfs/dbraw/zinc/13/27/71/801132771.db2.gz JWCKDUJSKMUKOK-OAHLLOKOSA-N 1 1 294.398 3.138 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1c(C)csc1Cl ZINC001038959810 801137545 /nfs/dbraw/zinc/13/75/45/801137545.db2.gz YTOHXBCVIAPFEC-NSHDSACASA-N 1 1 298.839 3.090 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1c(C)csc1Cl ZINC001038959810 801137548 /nfs/dbraw/zinc/13/75/48/801137548.db2.gz YTOHXBCVIAPFEC-NSHDSACASA-N 1 1 298.839 3.090 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)/C(C)=C\C)C1 ZINC001039204166 801153450 /nfs/dbraw/zinc/15/34/50/801153450.db2.gz VGAOYXUQRDNYOU-ANNBALGTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C=C(C)C)C1 ZINC001039207199 801154440 /nfs/dbraw/zinc/15/44/40/801154440.db2.gz XPDDPBIWJYQVPZ-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C1CCC1 ZINC001039392909 801160004 /nfs/dbraw/zinc/16/00/04/801160004.db2.gz KANQUDLBPGKYGW-UAGQMJEPSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)=C1CCC1 ZINC001039373858 801160622 /nfs/dbraw/zinc/16/06/22/801160622.db2.gz RHUSICJEPZZUHL-SJORKVTESA-N 1 1 288.435 3.128 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC([N@@H+](CC)CC2CC2)CC1 ZINC001039488702 801163594 /nfs/dbraw/zinc/16/35/94/801163594.db2.gz YUJWEBFHQUOQHP-SFHVURJKSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)CC(C)(C)C)C2)C1 ZINC001040074187 801172647 /nfs/dbraw/zinc/17/26/47/801172647.db2.gz MUINRLFGORQLDD-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)C(CC)CC)C2)C1 ZINC001040074904 801173042 /nfs/dbraw/zinc/17/30/42/801173042.db2.gz RKJCKNIZWINPRP-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)/C(C)=C\C)C2)C1 ZINC001040145649 801174441 /nfs/dbraw/zinc/17/44/41/801174441.db2.gz PVZKCXIETHOBPO-UUGSPAKMSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)C)C2)C1 ZINC001040501623 801178355 /nfs/dbraw/zinc/17/83/55/801178355.db2.gz FDBSUUCGRGYLCN-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)CC3CCCCC3)C2)C1 ZINC001041045425 801184268 /nfs/dbraw/zinc/18/42/68/801184268.db2.gz KQBYOZAQPPRNET-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)C3(CC)CCC3)C2)C1 ZINC001041570219 801191776 /nfs/dbraw/zinc/19/17/76/801191776.db2.gz ORNCZKDBHCAWDN-KRWDZBQOSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C)C(C)C)C2)C1 ZINC001041719631 801192569 /nfs/dbraw/zinc/19/25/69/801192569.db2.gz FUZSKFORRRFVRO-AEFFLSMTSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(CC)CC)C2)C1 ZINC001041840791 801194549 /nfs/dbraw/zinc/19/45/49/801194549.db2.gz GPXYBSVADDOACY-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CCN(C(=O)CCC3CCC3)C[C@@H]21 ZINC001042008737 801200066 /nfs/dbraw/zinc/20/00/66/801200066.db2.gz XOLQYOTXMRLLRZ-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3(C)CCCCC3)C[C@@H]21 ZINC001042217265 801202949 /nfs/dbraw/zinc/20/29/49/801202949.db2.gz WMALXBFLPIPYTB-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C/C=C\Cl ZINC001045826997 801287850 /nfs/dbraw/zinc/28/78/50/801287850.db2.gz FXBNTCRCJODDTD-PTENIASDSA-N 1 1 296.842 3.016 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCCC[C@@]2(CC[N@H+](CC)C2)C1 ZINC001045964263 801298006 /nfs/dbraw/zinc/29/80/06/801298006.db2.gz DSRFEJYSUNGMSN-MSOLQXFVSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)c2cc(C)oc2C)C1 ZINC001046134351 801301151 /nfs/dbraw/zinc/30/11/51/801301151.db2.gz CIVBJZMUFTVAJX-QGZVFWFLSA-N 1 1 290.407 3.057 20 30 CGEDMO C=C1CCC(C(=O)N[C@@]2(C)CC[N@H+](C/C=C/Cl)C2)CC1 ZINC001046593826 801316497 /nfs/dbraw/zinc/31/64/97/801316497.db2.gz AUBOPBDNRBQTHD-CFZDNBDDSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C1CCC(C(=O)N[C@@]2(C)CC[N@@H+](C/C=C/Cl)C2)CC1 ZINC001046593826 801316502 /nfs/dbraw/zinc/31/65/02/801316502.db2.gz AUBOPBDNRBQTHD-CFZDNBDDSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001046792086 801325786 /nfs/dbraw/zinc/32/57/86/801325786.db2.gz BNOKWOCOHLGGDL-SFHVURJKSA-N 1 1 286.419 3.190 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001046855855 801330790 /nfs/dbraw/zinc/33/07/90/801330790.db2.gz XRKJTONUUKATCM-LJQANCHMSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)C2CCC(C)(C)CC2)C1 ZINC001046867272 801331498 /nfs/dbraw/zinc/33/14/98/801331498.db2.gz YDFICIDMNGETGU-SFHVURJKSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CCCCC1)C2 ZINC001048492783 801349070 /nfs/dbraw/zinc/34/90/70/801349070.db2.gz GIBXXIIBTKGPEW-ACHSLPGTSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1C ZINC001049300533 801362433 /nfs/dbraw/zinc/36/24/33/801362433.db2.gz BYHXKKGHMPUXNY-ZWKOTPCHSA-N 1 1 298.430 3.250 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC ZINC001049500161 801375702 /nfs/dbraw/zinc/37/57/02/801375702.db2.gz CRYVKAGFMGFDRR-ZIAGYGMSSA-N 1 1 298.858 3.240 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC1(C)CC1 ZINC001049601899 801378060 /nfs/dbraw/zinc/37/80/60/801378060.db2.gz IXDDOIOTOBMPAW-HOTGVXAUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC=C(C)C ZINC001049633433 801378468 /nfs/dbraw/zinc/37/84/68/801378468.db2.gz BTKQQDKLXDYQOP-CVEARBPZSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCC ZINC001049644297 801380909 /nfs/dbraw/zinc/38/09/09/801380909.db2.gz IIHBHVZIYNDKQF-HUUCEWRRSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1(C(C)C)CC1 ZINC001049702455 801387237 /nfs/dbraw/zinc/38/72/37/801387237.db2.gz LPYUWYPXIOVARY-HOTGVXAUSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)CC3CCCC3)[C@@H]2C1 ZINC001049959121 801395936 /nfs/dbraw/zinc/39/59/36/801395936.db2.gz RHEAAWHRNGLJPA-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(C)s2)CC1 ZINC001052165795 801422414 /nfs/dbraw/zinc/42/24/14/801422414.db2.gz SAEFJGLEYUETQI-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO CC(=O)C=C(C)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256521592 806909369 /nfs/dbraw/zinc/90/93/69/806909369.db2.gz APNZKVROCTUVKT-IRELMECMSA-N 1 1 286.419 3.122 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C=C2CCC2)CC1 ZINC001052296930 801429982 /nfs/dbraw/zinc/42/99/82/801429982.db2.gz LZGLRVQWESCDDY-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2c(C)coc2C)CC1 ZINC001052353455 801430247 /nfs/dbraw/zinc/43/02/47/801430247.db2.gz IQSXIMVJOCRUBB-HNNXBMFYSA-N 1 1 290.407 3.057 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)C(F)=C2CCCC2)CC1 ZINC001052303235 801430600 /nfs/dbraw/zinc/43/06/00/801430600.db2.gz VOAQBJXLYGPZQH-HNNXBMFYSA-N 1 1 294.414 3.331 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@]2(C)CC=CCC2)CC1 ZINC001052412117 801434665 /nfs/dbraw/zinc/43/46/65/801434665.db2.gz PVEGCFKEYPENEB-WMZOPIPTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@]2(C)C=CCC2)CC1 ZINC001052636189 801442688 /nfs/dbraw/zinc/44/26/88/801442688.db2.gz OYKIFNHQLLXREO-GDBMZVCRSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](CCC3CC3)CC2)C1 ZINC001052693733 801448151 /nfs/dbraw/zinc/44/81/51/801448151.db2.gz YKVLRGKXCXOYOS-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC(C)(C)C2)CC1 ZINC001052962599 801458037 /nfs/dbraw/zinc/45/80/37/801458037.db2.gz HENMAXHKHZUJFV-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)CC1 ZINC001052975762 801459624 /nfs/dbraw/zinc/45/96/24/801459624.db2.gz IJNOAKIJNPBCBB-AWEZNQCLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC)C2)C1 ZINC001052994427 801460628 /nfs/dbraw/zinc/46/06/28/801460628.db2.gz NCXHSCNATLQLIR-HUUCEWRRSA-N 1 1 298.858 3.100 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C(C)C)C2)C1 ZINC001053008566 801461408 /nfs/dbraw/zinc/46/14/08/801461408.db2.gz RPSDVNXGGAAJQG-SJORKVTESA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C(C)(C)F)C1 ZINC001053063781 801466262 /nfs/dbraw/zinc/46/62/62/801466262.db2.gz RAQOKMLBGSVBOQ-CABCVRRESA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(CC)CC1)C2 ZINC001054191706 801477228 /nfs/dbraw/zinc/47/72/28/801477228.db2.gz KBYMVUMFBVJMJS-QGZVFWFLSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@H+]1Cc2ccc(CNC(=O)c3ccoc3)cc2C1 ZINC001054256350 801481234 /nfs/dbraw/zinc/48/12/34/801481234.db2.gz WVBTYNJWXURPBF-UHFFFAOYSA-N 1 1 296.370 3.101 20 30 CGEDMO C[C@@H]1C[C@H](N2CCC[C@H]2C#N)CC[N@H+]1Cc1ccccc1 ZINC001256536755 806913374 /nfs/dbraw/zinc/91/33/74/806913374.db2.gz ISKKJMGVGXYHKH-NXHRZFHOSA-N 1 1 283.419 3.027 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2ccccc2C)CC[C@@H]1C ZINC001071319762 801528810 /nfs/dbraw/zinc/52/88/10/801528810.db2.gz UQFANJBKUFHOCW-JKSUJKDBSA-N 1 1 286.419 3.154 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C(C)=C2CCC2)CC[C@@H]1C ZINC001071489066 801539881 /nfs/dbraw/zinc/53/98/81/801539881.db2.gz ZAZSDSZSVYMGAW-XJKSGUPXSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2sccc2F)CC[C@@H]1C ZINC001071491148 801540135 /nfs/dbraw/zinc/54/01/35/801540135.db2.gz XHRBQOSPJIECGB-NWDGAFQWSA-N 1 1 296.411 3.046 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)C(C)=C2CCC2)CC[C@H]1C ZINC001071488129 801540610 /nfs/dbraw/zinc/54/06/10/801540610.db2.gz PUPQSUUOIKTHHQ-CZUORRHYSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)C(C)=C2CCC2)CC[C@@H]1C ZINC001071500805 801541688 /nfs/dbraw/zinc/54/16/88/801541688.db2.gz CABDBJKNAQBAOV-WMLDXEAASA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2occc2Cl)CC[C@@H]1C ZINC001071795613 801551797 /nfs/dbraw/zinc/55/17/97/801551797.db2.gz MJBUCVHQQVYEQI-RYUDHWBXSA-N 1 1 296.798 3.092 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)C2(C)CC(=C)C2)CC[C@H]1C ZINC001071807804 801554472 /nfs/dbraw/zinc/55/44/72/801554472.db2.gz WRTXBRPKPFXROJ-HZPDHXFCSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccsc2Cl)CC[C@@H]1C ZINC001071868013 801557212 /nfs/dbraw/zinc/55/72/12/801557212.db2.gz GFGDRGGPLNWRCD-QWRGUYRKSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)c(C)c2)CC[C@@H]1C ZINC001072044806 801563449 /nfs/dbraw/zinc/56/34/49/801563449.db2.gz NNHVRFPLBZDPFU-RDJZCZTQSA-N 1 1 286.419 3.072 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C23CCC(CC2)CC3)CC[C@H]1C ZINC001072096075 801563821 /nfs/dbraw/zinc/56/38/21/801563821.db2.gz SRNPSBYGWJJVKF-CTMQZQKCSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cscc2C)C1 ZINC001079545319 801644103 /nfs/dbraw/zinc/64/41/03/801644103.db2.gz NTVCULZGVRQITJ-IUODEOHRSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CCCCCCC2)C1 ZINC001080098250 801650181 /nfs/dbraw/zinc/65/01/81/801650181.db2.gz LLOKKJQMOXQFSM-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2CN(C(=O)C3CCCCCCC3)[C@@H]2C1 ZINC001084508006 801667238 /nfs/dbraw/zinc/66/72/38/801667238.db2.gz REZRWSXWABBVST-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)c(C)o1 ZINC001085550158 801693353 /nfs/dbraw/zinc/69/33/53/801693353.db2.gz MLHFFVXUZQQKSJ-HNNXBMFYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001085718996 801701857 /nfs/dbraw/zinc/70/18/57/801701857.db2.gz HAKGQDOWQIFECP-BZUAXINKSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2C[C@@H](C)CC)CC1 ZINC001085801213 801704658 /nfs/dbraw/zinc/70/46/58/801704658.db2.gz MHQXHHAWBYYEOS-YOEHRIQHSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc2cc(C)ccc2o1 ZINC001085986584 801717384 /nfs/dbraw/zinc/71/73/84/801717384.db2.gz ICNZYYBOLWCYHF-OAHLLOKOSA-N 1 1 298.386 3.074 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2cc(C)ccc2o1 ZINC001085986584 801717396 /nfs/dbraw/zinc/71/73/96/801717396.db2.gz ICNZYYBOLWCYHF-OAHLLOKOSA-N 1 1 298.386 3.074 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C)s2)[C@H]1CC ZINC001087486888 801750576 /nfs/dbraw/zinc/75/05/76/801750576.db2.gz CJJKNIPXHXUXSH-UONOGXRCSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2(C)CC=CC2)[C@H]1CC ZINC001087713479 801763640 /nfs/dbraw/zinc/76/36/40/801763640.db2.gz PNQWLOAEWHLALQ-JKSUJKDBSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2CCC(F)CC2)[C@H]1CC ZINC001087713050 801764231 /nfs/dbraw/zinc/76/42/31/801764231.db2.gz PMIXVKZIJVPEAM-SSHXOBKSSA-N 1 1 296.430 3.060 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2CCC=CCC2)[C@H]1CC ZINC001087832398 801769427 /nfs/dbraw/zinc/76/94/27/801769427.db2.gz JYFGZBOJSKOYPE-DLBZAZTESA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)=C2CCCC2)[C@H]1C ZINC001088517068 801798453 /nfs/dbraw/zinc/79/84/53/801798453.db2.gz VTLSUTGLTQSKAU-ZBFHGGJFSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cc(C)c(C)o2)[C@H]1C ZINC001088524064 801798749 /nfs/dbraw/zinc/79/87/49/801798749.db2.gz DLZXWQIWJVLKGN-HIFRSBDPSA-N 1 1 290.407 3.055 20 30 CGEDMO C=Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=C)C)[C@@H]2C)cc1 ZINC001088874159 801810762 /nfs/dbraw/zinc/81/07/62/801810762.db2.gz NSRNWZGOHVEYEU-PBHICJAKSA-N 1 1 284.403 3.098 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CCC(C)(C)C)[C@@H]2C)C1 ZINC001088844206 801811187 /nfs/dbraw/zinc/81/11/87/801811187.db2.gz HZOGVMJKFLGEHB-CABCVRRESA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C3CCC3)c2)[C@H]1C ZINC001088977498 801813825 /nfs/dbraw/zinc/81/38/25/801813825.db2.gz CBKHOBJTGASYJG-KDOFPFPSSA-N 1 1 298.430 3.333 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C(F)F)c2)[C@H]1C ZINC001088994916 801815272 /nfs/dbraw/zinc/81/52/72/801815272.db2.gz PMUHJTVCJBLJSS-RISCZKNCSA-N 1 1 294.345 3.003 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)s2)[C@H]1C ZINC001089020629 801817668 /nfs/dbraw/zinc/81/76/68/801817668.db2.gz VHGCJHSAIZHZPE-MNOVXSKESA-N 1 1 298.839 3.170 20 30 CGEDMO C#Cc1ccc(C(=O)N2CCCC[C@H]2C[N@H+](C)C(C)C)cc1 ZINC001089206764 801825237 /nfs/dbraw/zinc/82/52/37/801825237.db2.gz QHTKZUUMKUGBNX-SFHVURJKSA-N 1 1 298.430 3.003 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C2CC2)CC(C)(C)C1 ZINC001089356136 801836118 /nfs/dbraw/zinc/83/61/18/801836118.db2.gz VCZKSLMSZBJDNN-ZBFHGGJFSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C2(C)CCCC2)CC(C)(C)C1 ZINC001089456716 801839822 /nfs/dbraw/zinc/83/98/22/801839822.db2.gz LUMLQMPETQTVJT-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C)C(C)(C)C)C[C@]2(C)C1 ZINC001091785401 801860232 /nfs/dbraw/zinc/86/02/32/801860232.db2.gz AKTIUUNHYWTNDM-RKVPGOIHSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1C[C@H]2C[N@H+](CCCC)C[C@@]2(C)C1 ZINC001091981751 801860507 /nfs/dbraw/zinc/86/05/07/801860507.db2.gz RPYWCPXPGIFHCX-NJAFHUGGSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1=CCCCC1)C2 ZINC001095241116 801879978 /nfs/dbraw/zinc/87/99/78/801879978.db2.gz TVNMEQBBJZXJPE-IKGGRYGDSA-N 1 1 288.435 3.175 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC=CCCC1)C2 ZINC001095607855 801884966 /nfs/dbraw/zinc/88/49/66/801884966.db2.gz AKQFKZURXJEXBC-NCOADZHNSA-N 1 1 288.435 3.030 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@H](C)CC)C1 ZINC001095982614 801888159 /nfs/dbraw/zinc/88/81/59/801888159.db2.gz GNBBNRJKOZMIAK-OJLVUWQFSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)cccc1C)C2 ZINC001097906393 801905068 /nfs/dbraw/zinc/90/50/68/801905068.db2.gz MTZFUORLFDGTJY-ZACQAIPSSA-N 1 1 298.430 3.215 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CCCCCC1)C2 ZINC001097937735 801905673 /nfs/dbraw/zinc/90/56/73/801905673.db2.gz IHAIQNYWOFXJEI-ZACQAIPSSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC(C)C ZINC001098868485 801917357 /nfs/dbraw/zinc/91/73/57/801917357.db2.gz PBPKUNGHAJDVJZ-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC(=C)Cl ZINC001098948622 801922670 /nfs/dbraw/zinc/92/26/70/801922670.db2.gz ASFCKPRFXJDRMP-AWEZNQCLSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC(=C)Cl ZINC001098948622 801922675 /nfs/dbraw/zinc/92/26/75/801922675.db2.gz ASFCKPRFXJDRMP-AWEZNQCLSA-N 1 1 298.858 3.312 20 30 CGEDMO C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H](C)CC ZINC001099038944 801925990 /nfs/dbraw/zinc/92/59/90/801925990.db2.gz QHKILJYIGMHSBF-JKSUJKDBSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C=C1CCC1 ZINC001099012714 801926815 /nfs/dbraw/zinc/92/68/15/801926815.db2.gz NVDJCYSXMCTVSQ-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(F)=C(C)C ZINC001099016294 801926896 /nfs/dbraw/zinc/92/68/96/801926896.db2.gz JQRJMMVBFVWYBE-CQSZACIVSA-N 1 1 296.430 3.433 20 30 CGEDMO CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C#CC(C)(C)C ZINC001099060889 801927844 /nfs/dbraw/zinc/92/78/44/801927844.db2.gz PGMOSQIBPVEIOF-HNNXBMFYSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)C(C)(C)C ZINC001099121641 801929048 /nfs/dbraw/zinc/92/90/48/801929048.db2.gz MXDJHFPFVASCON-CABCVRRESA-N 1 1 294.483 3.461 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC(C)(C)C=C ZINC001099094054 801929103 /nfs/dbraw/zinc/92/91/03/801929103.db2.gz WNUHJJOJTCTPDX-OAHLLOKOSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](F)CC ZINC001099174776 801932957 /nfs/dbraw/zinc/93/29/57/801932957.db2.gz BVXCBDHLLFNPFW-CABCVRRESA-N 1 1 298.446 3.308 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCF ZINC001099251938 801933356 /nfs/dbraw/zinc/93/33/56/801933356.db2.gz PEYRCERZRBBLGB-CQSZACIVSA-N 1 1 298.446 3.165 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCF ZINC001099251938 801933362 /nfs/dbraw/zinc/93/33/62/801933362.db2.gz PEYRCERZRBBLGB-CQSZACIVSA-N 1 1 298.446 3.165 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC ZINC001099214946 801933416 /nfs/dbraw/zinc/93/34/16/801933416.db2.gz ODESJASMTDPEGA-YOEHRIQHSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1(CC)CC1 ZINC001099219853 801933912 /nfs/dbraw/zinc/93/39/12/801933912.db2.gz FKMOQJULGAIPQZ-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)CCC)C[C@]2(C)C1 ZINC001101405563 801978056 /nfs/dbraw/zinc/97/80/56/801978056.db2.gz FAVWMWUXCIYBMQ-JZXOWHBKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)CCC)C[C@]2(C)C1 ZINC001101348882 801978086 /nfs/dbraw/zinc/97/80/86/801978086.db2.gz MGFSHLXVSMLPFT-QAPCUYQASA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](CNC(=O)CC(C)C)[C@H](C)C1 ZINC001101691141 801986068 /nfs/dbraw/zinc/98/60/68/801986068.db2.gz HVQBZWUVCUKBGO-OWCLPIDISA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H](CNC(=O)CCC=C)[C@H](C)C1 ZINC001101805560 801992726 /nfs/dbraw/zinc/99/27/26/801992726.db2.gz UDTYDUVJUWWRHR-IAGOWNOFSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@@H]1C[N@@H+](CC(=C)Cl)C[C@H]1C ZINC001102262968 802002138 /nfs/dbraw/zinc/00/21/38/802002138.db2.gz QUOVJTGOMLDNMX-BPLDGKMQSA-N 1 1 298.858 3.025 20 30 CGEDMO C=C/C(C)=C/CC(=O)NC[C@@H]1C[N@H+](CCC(=C)C)C[C@H]1C ZINC001102244370 802002242 /nfs/dbraw/zinc/00/22/42/802002242.db2.gz GNYBKNODXGUBAD-JRLUYGLASA-N 1 1 290.451 3.159 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@@H]1C[N@@H+](CCCC)C[C@H]1C ZINC001102264554 802004251 /nfs/dbraw/zinc/00/42/51/802004251.db2.gz PJKBYFPUMKEVOD-OWCLPIDISA-N 1 1 280.456 3.073 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@@H]1C[N@@H+](CCCCC)C[C@H]1C ZINC001102264492 802005451 /nfs/dbraw/zinc/00/54/51/802005451.db2.gz MOTHKDNAAFUDLA-IXDOHACOSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@H+](CCC(=C)C)C[C@H]1C ZINC001102409927 802006973 /nfs/dbraw/zinc/00/69/73/802006973.db2.gz BRTFWGCFBHCSOT-HZPDHXFCSA-N 1 1 292.467 3.239 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@@H+](C[C@@H](C)CC)C[C@H]1C ZINC001102410028 802007038 /nfs/dbraw/zinc/00/70/38/802007038.db2.gz GQMCSQKVHKVMIK-ARFHVFGLSA-N 1 1 294.483 3.319 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)C[C@H](C)CC(C)C)[C@H](C)C1 ZINC001102507812 802010208 /nfs/dbraw/zinc/01/02/08/802010208.db2.gz PTLJVXMEQPPMAO-BRWVUGGUSA-N 1 1 294.483 3.319 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@H](CC)CC(C)C)[C@H](C)C1 ZINC001102500872 802011701 /nfs/dbraw/zinc/01/17/01/802011701.db2.gz LEFLYNBEPFXECY-BRWVUGGUSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)CCCC1 ZINC001102621384 802012304 /nfs/dbraw/zinc/01/23/04/802012304.db2.gz XLJIZZZPDOWENS-HZPDHXFCSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+]1C[C@@H](CNC(=O)CCCC2CCCC2)[C@H](C)C1 ZINC001102603543 802012941 /nfs/dbraw/zinc/01/29/41/802012941.db2.gz JYWAIZMNRDYWFZ-NVXWUHKLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](F)C(C)C)C1 ZINC001103337029 802031026 /nfs/dbraw/zinc/03/10/26/802031026.db2.gz GAXLSZYIFFOOIS-OAGGEKHMSA-N 1 1 298.446 3.021 20 30 CGEDMO C=CCCC1(C(=O)NCC[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)CC1 ZINC001103403722 802032691 /nfs/dbraw/zinc/03/26/91/802032691.db2.gz PYLWGNYJACKAKM-HZPDHXFCSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)C2CC2)C1 ZINC001103759176 802039157 /nfs/dbraw/zinc/03/91/57/802039157.db2.gz JCYIQZLBWYDDBV-BFYDXBDKSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)/C=C\C(C)(C)C)CCC[C@@H]12 ZINC001107334667 802086208 /nfs/dbraw/zinc/08/62/08/802086208.db2.gz RABOIFGTFBZSMI-QVFMIUSGSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)CCCC)CCC[C@@H]12 ZINC001107388354 802088279 /nfs/dbraw/zinc/08/82/79/802088279.db2.gz FOVXPESRMPMJAH-JFIYKMOQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC(C)C)C2 ZINC001108918407 802104897 /nfs/dbraw/zinc/10/48/97/802104897.db2.gz CPNCKNVRRIHJEL-YVSFHVDLSA-N 1 1 292.467 3.499 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C(=C)Cl)C2 ZINC001109335033 802112906 /nfs/dbraw/zinc/11/29/06/802112906.db2.gz FRYSBPOMZANCFW-RDBSUJKOSA-N 1 1 296.842 3.063 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)CCC)C2 ZINC001109662203 802122935 /nfs/dbraw/zinc/12/29/35/802122935.db2.gz LAIDNUBFVICWEP-ILXRZTDVSA-N 1 1 278.440 3.110 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CCCC)CC1)C2 ZINC001109680375 802123299 /nfs/dbraw/zinc/12/32/99/802123299.db2.gz FSNNBLVGNIELJU-PMPSAXMXSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CC1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC)CCCCC1 ZINC001109829981 802125919 /nfs/dbraw/zinc/12/59/19/802125919.db2.gz FSPWWMNHYQHBFN-PMPSAXMXSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C(C)C)c1ccccc1 ZINC001110136894 802131664 /nfs/dbraw/zinc/13/16/64/802131664.db2.gz SRYTVTUGLJQAIH-BDXSIMOUSA-N 1 1 298.430 3.086 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC1CC1)C2 ZINC001110411001 802140749 /nfs/dbraw/zinc/14/07/49/802140749.db2.gz RQCWVBPRIYJGFK-DZUCGIPZSA-N 1 1 290.451 3.253 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1 ZINC001110603941 802146007 /nfs/dbraw/zinc/14/60/07/802146007.db2.gz WPGZBPIDLUDCMC-OAGGEKHMSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(C)C=CCC1)C2 ZINC001110902244 802147960 /nfs/dbraw/zinc/14/79/60/802147960.db2.gz RDKUAEIQHFMATF-CBZIJGRNSA-N 1 1 288.435 3.030 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC ZINC001110891973 802149404 /nfs/dbraw/zinc/14/94/04/802149404.db2.gz HPRLHEKVUVZVNK-KFWWJZLASA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C/C=C(/C)C=C)C2 ZINC001110916189 802150630 /nfs/dbraw/zinc/15/06/30/802150630.db2.gz JGHZXXFYNXBRLX-UNWBXTHXSA-N 1 1 288.435 3.197 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C)C2 ZINC001111307646 802158205 /nfs/dbraw/zinc/15/82/05/802158205.db2.gz ORUCMIFJJFFDMA-TUVASFSCSA-N 1 1 278.440 3.109 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(C)C)C1 ZINC001111590767 802162320 /nfs/dbraw/zinc/16/23/20/802162320.db2.gz DHOWGFCDVGPOAR-WMZOPIPTSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3cccc(C)c3)C[C@H]21 ZINC001114026266 802237944 /nfs/dbraw/zinc/23/79/44/802237944.db2.gz ZBYOYFVFFOZEFX-NWGLXNPWSA-N 1 1 298.430 3.069 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C=C(CC)CC ZINC001114141884 802238548 /nfs/dbraw/zinc/23/85/48/802238548.db2.gz XIDHPPJHJHTUMJ-KBEGMRNHSA-N 1 1 290.451 3.134 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(CCC)CCC ZINC001114743728 802245124 /nfs/dbraw/zinc/24/51/24/802245124.db2.gz PFCVWYSLZAEBSE-FVQHAEBGSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)CCCCC ZINC001114935674 802248496 /nfs/dbraw/zinc/24/84/96/802248496.db2.gz UDBBTCVMMNZIGR-LISAXSMJSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@](C)(CC)CCC ZINC001115029619 802250448 /nfs/dbraw/zinc/25/04/48/802250448.db2.gz ACMRMXFQCUNOGT-MUQADHOPSA-N 1 1 292.467 3.215 20 30 CGEDMO CC[N@H+](Cc1ccccc1F)C[C@H](O)c1ccc(C#N)cc1 ZINC001116285174 802323541 /nfs/dbraw/zinc/32/35/41/802323541.db2.gz ARZRGICOPXZLDU-SFHVURJKSA-N 1 1 298.361 3.253 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](CCSc2ccccc2F)C1 ZINC001116542448 802374097 /nfs/dbraw/zinc/37/40/97/802374097.db2.gz SFYUCKSVHNPCSR-ZDUSSCGKSA-N 1 1 281.396 3.195 20 30 CGEDMO C[C@H](CCCC#N)[N@@H+](C)CCCC(=O)c1cccnc1 ZINC001172502352 808356937 /nfs/dbraw/zinc/35/69/37/808356937.db2.gz UWPYYDNDOZCUTI-CQSZACIVSA-N 1 1 273.380 3.059 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1cccn1C1CC1)c1ccc(F)cc1 ZINC001117748415 802486865 /nfs/dbraw/zinc/48/68/65/802486865.db2.gz ZNMGFRMFAIKRFW-QGZVFWFLSA-N 1 1 268.335 3.426 20 30 CGEDMO N#Cc1cccc(C#N)c1N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001118542028 802581065 /nfs/dbraw/zinc/58/10/65/802581065.db2.gz XEQUUWZRJDDYCS-INIZCTEOSA-N 1 1 294.402 3.249 20 30 CGEDMO C[C@@H]1CCc2nc(C[N@@H+]3CCC[C@H](CC#N)C3)sc2C1 ZINC001118587076 802586993 /nfs/dbraw/zinc/58/69/93/802586993.db2.gz FLZMPPYSBNGIED-CHWSQXEVSA-N 1 1 289.448 3.394 20 30 CGEDMO C[C@@H]1CCc2nc(C[N@H+]3CCC[C@H](CC#N)C3)sc2C1 ZINC001118587076 802586998 /nfs/dbraw/zinc/58/69/98/802586998.db2.gz FLZMPPYSBNGIED-CHWSQXEVSA-N 1 1 289.448 3.394 20 30 CGEDMO C#CC[C@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC001118800968 802604364 /nfs/dbraw/zinc/60/43/64/802604364.db2.gz JIJNFNBCRBXVBG-SJORKVTESA-N 1 1 270.420 3.213 20 30 CGEDMO C#CC[C@H]([NH2+][C@@H]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001118800968 802604376 /nfs/dbraw/zinc/60/43/76/802604376.db2.gz JIJNFNBCRBXVBG-SJORKVTESA-N 1 1 270.420 3.213 20 30 CGEDMO COc1ccccc1C1([NH2+]Cc2cccc(C#N)n2)CCC1 ZINC001119299265 802644566 /nfs/dbraw/zinc/64/45/66/802644566.db2.gz FYHQSGKKCUFZSP-UHFFFAOYSA-N 1 1 293.370 3.131 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](CC(C)(C)Oc2ccccc2)C1 ZINC001180318124 809992374 /nfs/dbraw/zinc/99/23/74/809992374.db2.gz WXKUUDBFNGGLNQ-INIZCTEOSA-N 1 1 275.392 3.121 20 30 CGEDMO Cc1cc(F)c(C#N)c(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC001120014490 802724929 /nfs/dbraw/zinc/72/49/29/802724929.db2.gz NWNNXQRRIKYNNV-CHWSQXEVSA-N 1 1 273.355 3.045 20 30 CGEDMO N#Cc1cc(Cl)nc(NC[C@@H]2CCCC[N@H+]2C2CC2)c1 ZINC001120841239 802786071 /nfs/dbraw/zinc/78/60/71/802786071.db2.gz ULOMGEBWUWJNHX-ZDUSSCGKSA-N 1 1 290.798 3.035 20 30 CGEDMO CCC[N@H+]1CCCC[C@@H]1C(=O)O[C@H](C)CC(C)(C)C#N ZINC001122998773 802900373 /nfs/dbraw/zinc/90/03/73/802900373.db2.gz WFHAKCMNCGRALK-ZIAGYGMSSA-N 1 1 280.412 3.122 20 30 CGEDMO N#C[C@H]1CC=C(c2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC001243797522 803015549 /nfs/dbraw/zinc/01/55/49/803015549.db2.gz YBTLERFNLZDZGE-KRWDZBQOSA-N 1 1 296.414 3.268 20 30 CGEDMO C=C(C)CCC(=O)NCC[NH2+][C@@H](C)c1c(F)cccc1F ZINC001128418644 803190434 /nfs/dbraw/zinc/19/04/34/803190434.db2.gz QAZZVIYPNVOATC-LBPRGKRZSA-N 1 1 296.361 3.088 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@](C)(C(=O)OCC)C1 ZINC001209206799 813965906 /nfs/dbraw/zinc/96/59/06/813965906.db2.gz AWQBSQOZINYOEU-HNNXBMFYSA-N 1 1 253.386 3.008 20 30 CGEDMO C[N@H+]1CCCC[C@@H]1c1ccc(-c2ccncc2C#N)nc1 ZINC001244334576 803310861 /nfs/dbraw/zinc/31/08/61/803310861.db2.gz KOVZIMHWUTUKKB-QGZVFWFLSA-N 1 1 278.359 3.172 20 30 CGEDMO C[N@H+]1CC[C@H](c2ccc(-c3ccncc3C#N)cc2)C1 ZINC001244338075 803313299 /nfs/dbraw/zinc/31/32/99/803313299.db2.gz QXJITUZOQYSWAQ-HNNXBMFYSA-N 1 1 263.344 3.039 20 30 CGEDMO C=CCCC[N@H+]1C[C@H](NC(=O)CCC(C)C)CC[C@H]1C ZINC001131787754 803346406 /nfs/dbraw/zinc/34/64/06/803346406.db2.gz LQVQZCYSYQEXRM-HZPDHXFCSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)C(CC)CC)CC[C@@H]1C ZINC001131838257 803350552 /nfs/dbraw/zinc/35/05/52/803350552.db2.gz HKEQYNRFEXNDCP-GOEBONIOSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)CCSCC)CC[C@@H]1C ZINC001131847388 803351124 /nfs/dbraw/zinc/35/11/24/803351124.db2.gz CAYCRYXHHJVWAG-GJZGRUSLSA-N 1 1 298.496 3.065 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)/C=C(\C)C2CC2)CC[C@@H]1C ZINC001131861842 803352377 /nfs/dbraw/zinc/35/23/77/803352377.db2.gz PVDKYOXFGMHXBG-DVINNUGASA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)CSCCC)CC[C@H]1C ZINC001131904701 803355679 /nfs/dbraw/zinc/35/56/79/803355679.db2.gz VMPNTZXMQSXUDB-HUUCEWRRSA-N 1 1 298.496 3.065 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)CC2CCC2)CC[C@H]1C ZINC001131943814 803360985 /nfs/dbraw/zinc/36/09/85/803360985.db2.gz VIARJUWAKWCNQY-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C#CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCCC(C)C)C1 ZINC001132003281 803365738 /nfs/dbraw/zinc/36/57/38/803365738.db2.gz SEYSMUWQGAYVPM-IRXDYDNUSA-N 1 1 292.467 3.195 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC=C(C)C)C1 ZINC001132071479 803371050 /nfs/dbraw/zinc/37/10/50/803371050.db2.gz BDFAIMFAKSOFNA-HZPDHXFCSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCC2CC2)C1 ZINC001132073996 803373094 /nfs/dbraw/zinc/37/30/94/803373094.db2.gz ZMOXKSNEFZLPJZ-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C/C=C(\C)C=C)CC[C@@H]1C ZINC001132224291 803381358 /nfs/dbraw/zinc/38/13/58/803381358.db2.gz LWVXBOSYOYSXHZ-LSHVTDEISA-N 1 1 276.424 3.054 20 30 CGEDMO C#CCCCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(=C)C)C1 ZINC001132228290 803384094 /nfs/dbraw/zinc/38/40/94/803384094.db2.gz OMWRYXGDVCZJBX-SJORKVTESA-N 1 1 290.451 3.115 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCCCCF)C1 ZINC001132256143 803388071 /nfs/dbraw/zinc/38/80/71/803388071.db2.gz JTUKRPFDUWIDNS-JKSUJKDBSA-N 1 1 298.446 3.452 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC(=C)C)C2)CCC1 ZINC001132283478 803392759 /nfs/dbraw/zinc/39/27/59/803392759.db2.gz XXHNMPKLPQXPRZ-HZPDHXFCSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)C(CC)(CC)CC)CC[C@@H]1C ZINC001132384859 803399102 /nfs/dbraw/zinc/39/91/02/803399102.db2.gz UUGVTRMQGGUSCS-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)C2(CC)CCCC2)CC[C@H]1C ZINC001132397824 803400627 /nfs/dbraw/zinc/40/06/27/803400627.db2.gz WWTMOYMHCKCXMH-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)C(C)(C)CC(C)C)CC[C@@H]1C ZINC001132417368 803402709 /nfs/dbraw/zinc/40/27/09/803402709.db2.gz WNAIWXYWZNSJTK-GJZGRUSLSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCCCC(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001134438147 803538364 /nfs/dbraw/zinc/53/83/64/803538364.db2.gz ZLQQMNKXNQZKBH-UHFFFAOYSA-N 1 1 273.380 3.367 20 30 CGEDMO C[N@H+]1CCc2c(F)cc(-c3cccc(C#N)c3F)cc2C1 ZINC001245073078 803631805 /nfs/dbraw/zinc/63/18/05/803631805.db2.gz ZNKUGFVWDBBRIU-UHFFFAOYSA-N 1 1 284.309 3.491 20 30 CGEDMO Cc1ccc2c(C[N@@H+]3CC[C@](C)(C#N)C3)c[nH]c2c1 ZINC001136975418 803666070 /nfs/dbraw/zinc/66/60/70/803666070.db2.gz FUDLSLIBPBDFSQ-MRXNPFEDSA-N 1 1 253.349 3.212 20 30 CGEDMO Cc1ccc2c(C[N@H+]3CC[C@](C)(C#N)C3)c[nH]c2c1 ZINC001136975418 803666072 /nfs/dbraw/zinc/66/60/72/803666072.db2.gz FUDLSLIBPBDFSQ-MRXNPFEDSA-N 1 1 253.349 3.212 20 30 CGEDMO N#CCC[N@@H+](Cc1ccc2c(c1)COC2)C1CCCC1 ZINC001137025403 803673278 /nfs/dbraw/zinc/67/32/78/803673278.db2.gz DERLGVDTWAPDMM-UHFFFAOYSA-N 1 1 270.376 3.375 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3cccc4cccnc43)CC[C@@H]2S1 ZINC001137173441 803693203 /nfs/dbraw/zinc/69/32/03/803693203.db2.gz VPOPMHFNONFWLF-HNNXBMFYSA-N 1 1 296.395 3.009 20 30 CGEDMO O=C1C=C2C[N@@H+](Cc3cccc4cccnc43)CCC2S1 ZINC001137173441 803693205 /nfs/dbraw/zinc/69/32/05/803693205.db2.gz VPOPMHFNONFWLF-HNNXBMFYSA-N 1 1 296.395 3.009 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3cccc4cccnc43)CCC2S1 ZINC001137173441 803693207 /nfs/dbraw/zinc/69/32/07/803693207.db2.gz VPOPMHFNONFWLF-HNNXBMFYSA-N 1 1 296.395 3.009 20 30 CGEDMO CC[C@@H]1CCC[N@@H+](Cc2ccc(OC)cc2C#N)C1 ZINC001137704579 803760512 /nfs/dbraw/zinc/76/05/12/803760512.db2.gz LYHVHWZNYSLQRA-CYBMUJFWSA-N 1 1 258.365 3.189 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)c(C#N)c1 ZINC001137703341 803760638 /nfs/dbraw/zinc/76/06/38/803760638.db2.gz KCWZWKCTXPULFQ-OLZOCXBDSA-N 1 1 258.365 3.187 20 30 CGEDMO CC(=O)Oc1cccc(C[N@H+](C)Cc2cccc(C#N)c2)c1 ZINC001138045018 803841231 /nfs/dbraw/zinc/84/12/31/803841231.db2.gz DIQWTVIUGMHFFG-UHFFFAOYSA-N 1 1 294.354 3.116 20 30 CGEDMO COc1ccc2[nH]cc(C[N@H+]3CCC[C@@H](CC#N)C3)c2c1 ZINC001138510466 803954837 /nfs/dbraw/zinc/95/48/37/803954837.db2.gz DULXIECUKBFXJT-ZDUSSCGKSA-N 1 1 283.375 3.302 20 30 CGEDMO C#CC[NH+](CC#C)Cc1ccc(-c2ccc(OC)cc2)cc1 ZINC001138517320 803957792 /nfs/dbraw/zinc/95/77/92/803957792.db2.gz DJKKSTSQCLRRIQ-UHFFFAOYSA-N 1 1 289.378 3.431 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CC[C@H](F)C(F)(F)CC2)cc1 ZINC001138556097 803966035 /nfs/dbraw/zinc/96/60/35/803966035.db2.gz FNQXWXGVIZBAKE-HNNXBMFYSA-N 1 1 297.320 3.268 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@@H]2C(C)C)cc1 ZINC001138560514 803967733 /nfs/dbraw/zinc/96/77/33/803967733.db2.gz YEAGXGMUYKLFDU-QGZVFWFLSA-N 1 1 257.377 3.319 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CC3CCC2CC3)cc1 ZINC001138557679 803969194 /nfs/dbraw/zinc/96/91/94/803969194.db2.gz PISUUJLSNWIFAA-UHFFFAOYSA-N 1 1 255.361 3.073 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CCC[C@@H](CC#N)C2)c1O ZINC001138627868 803985921 /nfs/dbraw/zinc/98/59/21/803985921.db2.gz HJKKTMWXQNOKJT-AWEZNQCLSA-N 1 1 270.376 3.246 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CCCOC(C)(C)C2)c1O ZINC001138627807 803986006 /nfs/dbraw/zinc/98/60/06/803986006.db2.gz FWVZHDZHDQOSEH-UHFFFAOYSA-N 1 1 275.392 3.122 20 30 CGEDMO CCSc1ncc(C[N@H+](C)Cc2ccc(C#N)cc2)cn1 ZINC001138655772 803994363 /nfs/dbraw/zinc/99/43/63/803994363.db2.gz PJHSBXRUSPYRMN-UHFFFAOYSA-N 1 1 298.415 3.092 20 30 CGEDMO CCSc1ncc(C[N@@H+](C)Cc2ccc(C#N)cc2)cn1 ZINC001138655772 803994370 /nfs/dbraw/zinc/99/43/70/803994370.db2.gz PJHSBXRUSPYRMN-UHFFFAOYSA-N 1 1 298.415 3.092 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(OCc2cccc(F)c2)cc1 ZINC001138659772 803995130 /nfs/dbraw/zinc/99/51/30/803995130.db2.gz OZCMQPIZTWNTNR-UHFFFAOYSA-N 1 1 283.346 3.470 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1CC(=O)C2 ZINC001138661476 803995536 /nfs/dbraw/zinc/99/55/36/803995536.db2.gz ABIJBKOILOGUEI-IYBDPMFKSA-N 1 1 285.387 3.337 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1CCC[C@@H](OC)C1 ZINC001138663373 803996270 /nfs/dbraw/zinc/99/62/70/803996270.db2.gz UEBOXAADTWKKNB-MRXNPFEDSA-N 1 1 275.392 3.252 20 30 CGEDMO O=C1C=C2C[N@@H+](Cc3ccc4occc4c3)CC[C@@H]2S1 ZINC001138823507 804049435 /nfs/dbraw/zinc/04/94/35/804049435.db2.gz GXHMHDNHCNEPDA-HNNXBMFYSA-N 1 1 285.368 3.207 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3ccc4occc4c3)CC[C@@H]2S1 ZINC001138823507 804049447 /nfs/dbraw/zinc/04/94/47/804049447.db2.gz GXHMHDNHCNEPDA-HNNXBMFYSA-N 1 1 285.368 3.207 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cnc3[nH]ccc3c2Cl)C1 ZINC001138935603 804075997 /nfs/dbraw/zinc/07/59/97/804075997.db2.gz HQLGBWSYESKDEE-NSHDSACASA-N 1 1 273.767 3.013 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2c3cc[nH]c3ncc2Cl)CC1 ZINC001138952237 804082281 /nfs/dbraw/zinc/08/22/81/804082281.db2.gz PAGQUWDKIULFFP-LLVKDONJSA-N 1 1 288.782 3.294 20 30 CGEDMO CCC(=O)Oc1ccc(C[N@H+]2CCC[C@@H](C#N)CC2)cc1 ZINC001138966189 804092483 /nfs/dbraw/zinc/09/24/83/804092483.db2.gz KBBFXBDHUOIMIF-CQSZACIVSA-N 1 1 286.375 3.128 20 30 CGEDMO CCCCCCCC[C@H](O)C[NH2+]C[C@@H]1CC[C@H](C)CN1 ZINC001245995091 804095483 /nfs/dbraw/zinc/09/54/83/804095483.db2.gz SPACQGHZQYKDNO-ULQDDVLXSA-N 1 1 284.488 3.076 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCCC12CC[NH2+]CC2 ZINC001246034320 804103090 /nfs/dbraw/zinc/10/30/90/804103090.db2.gz PEXUOLUCPBDGSY-KRWDZBQOSA-N 1 1 294.483 3.092 20 30 CGEDMO C#CC(CC)(CC)N[C@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246073264 804110052 /nfs/dbraw/zinc/11/00/52/804110052.db2.gz WGPHNZCYCGKIHJ-ROUUACIJSA-N 1 1 284.447 3.131 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1C[C@@H](C)C[C@H]1CF ZINC001139029321 804112807 /nfs/dbraw/zinc/11/28/07/804112807.db2.gz UBMVREKBMOOLRO-ZFWWWQNUSA-N 1 1 263.356 3.431 20 30 CGEDMO CCCCCCC[C@@H](CC)N[C@@H]1C[NH2+]CC12CC2 ZINC001246136726 804160578 /nfs/dbraw/zinc/16/05/78/804160578.db2.gz XRJZBVLTIBGRAX-HUUCEWRRSA-N 1 1 252.446 3.467 20 30 CGEDMO Cn1ccc2ccc(C[N@H+]3CCC[C@@H](C#N)CC3)cc21 ZINC001139206535 804162487 /nfs/dbraw/zinc/16/24/87/804162487.db2.gz DMZVCGYOBKVKRS-CQSZACIVSA-N 1 1 267.376 3.304 20 30 CGEDMO CCCCCCC[C@@H](CC)NC[C@]1(F)CC[NH2+]C1 ZINC001246145971 804166734 /nfs/dbraw/zinc/16/67/34/804166734.db2.gz MYBGGLDDXNLSCR-CABCVRRESA-N 1 1 258.425 3.417 20 30 CGEDMO CCCCCCC[C@@H](CC)[NH2+]C[C@]1(F)CCNC1 ZINC001246145971 804166737 /nfs/dbraw/zinc/16/67/37/804166737.db2.gz MYBGGLDDXNLSCR-CABCVRRESA-N 1 1 258.425 3.417 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](Cc2ccc3cc(O)ccc3c2)C1 ZINC001139340981 804176741 /nfs/dbraw/zinc/17/67/41/804176741.db2.gz WRGHUFZXFVXILA-KRWDZBQOSA-N 1 1 266.344 3.281 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](Cc2ccc3cc(O)ccc3c2)C1 ZINC001139340981 804176746 /nfs/dbraw/zinc/17/67/46/804176746.db2.gz WRGHUFZXFVXILA-KRWDZBQOSA-N 1 1 266.344 3.281 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cn2c(cccc2F)n1 ZINC001139573862 804213284 /nfs/dbraw/zinc/21/32/84/804213284.db2.gz NEZOIIVNRFNDIM-UHFFFAOYSA-N 1 1 261.344 3.262 20 30 CGEDMO C=CC[NH+]1CCN(Cc2ccc(-c3cccnc3)cc2)CC1 ZINC001139643541 804241771 /nfs/dbraw/zinc/24/17/71/804241771.db2.gz HEYDWTQKZKCFJI-UHFFFAOYSA-N 1 1 293.414 3.052 20 30 CGEDMO Cc1ccnn1C1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC001139649732 804243686 /nfs/dbraw/zinc/24/36/86/804243686.db2.gz CLMRIYJPEWTGAM-UHFFFAOYSA-N 1 1 298.365 3.039 20 30 CGEDMO CCCCCCCCCC[C@@H](C)[NH2+][C@H]1CN[C@@H](CO)C1 ZINC001246267849 804247926 /nfs/dbraw/zinc/24/79/26/804247926.db2.gz ZNJLEPMMZADUIJ-BRWVUGGUSA-N 1 1 284.488 3.218 20 30 CGEDMO N#Cc1c(Cl)cccc1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001139687029 804253963 /nfs/dbraw/zinc/25/39/63/804253963.db2.gz KJVXWBIAGCSGAD-TXEJJXNPSA-N 1 1 260.768 3.444 20 30 CGEDMO COC[C@H]1CCCC[N@H+]1Cc1c[nH]c2c1cccc2C#N ZINC001139701888 804259064 /nfs/dbraw/zinc/25/90/64/804259064.db2.gz RSMYYUSVYORHOD-OAHLLOKOSA-N 1 1 283.375 3.040 20 30 CGEDMO N#Cc1cccc2c(C[N@H+]3CC[C@@]4(C3)CCCOC4)c[nH]c21 ZINC001139706298 804261417 /nfs/dbraw/zinc/26/14/17/804261417.db2.gz QBAGXSURUAHBSG-GOSISDBHSA-N 1 1 295.386 3.042 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2c[nH]c3c2cccc3C#N)[C@H](C)C1 ZINC001139707757 804261541 /nfs/dbraw/zinc/26/15/41/804261541.db2.gz RKQLMCFLUIPRBI-DOMZBBRYSA-N 1 1 283.375 3.039 20 30 CGEDMO C=CC[N@@H+](Cc1cnc2cccnc2c1)C(C)(C)C ZINC001139746147 804274009 /nfs/dbraw/zinc/27/40/09/804274009.db2.gz SIZFVPNQWPOVDL-UHFFFAOYSA-N 1 1 255.365 3.416 20 30 CGEDMO C=CCn1cc(C[N@H+]2CCC3(C2)CCCCC3)cn1 ZINC001139774761 804280264 /nfs/dbraw/zinc/28/02/64/804280264.db2.gz UUGSNIOOAXBCAH-UHFFFAOYSA-N 1 1 259.397 3.225 20 30 CGEDMO COCc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)s1 ZINC001139831423 804294026 /nfs/dbraw/zinc/29/40/26/804294026.db2.gz QELLKFFEGIVMEE-UHFFFAOYSA-N 1 1 286.400 3.398 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)Cc1cnc(Cl)nc1 ZINC001139991427 804343918 /nfs/dbraw/zinc/34/39/18/804343918.db2.gz JWTIWLXSPNDLJY-UHFFFAOYSA-N 1 1 273.767 3.318 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cnc(Cl)nc1 ZINC001139991427 804343924 /nfs/dbraw/zinc/34/39/24/804343924.db2.gz JWTIWLXSPNDLJY-UHFFFAOYSA-N 1 1 273.767 3.318 20 30 CGEDMO C#CC1(NC2C[C@@H](CC)[NH2+][C@H](CC)C2)CCCCC1 ZINC001246464933 804345298 /nfs/dbraw/zinc/34/52/98/804345298.db2.gz UZSGEIVANLLOBS-HUUCEWRRSA-N 1 1 262.441 3.221 20 30 CGEDMO C[C@]1(CO)CCC[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)CC1 ZINC001140110507 804379496 /nfs/dbraw/zinc/37/94/96/804379496.db2.gz MKWJPWCCDAUCIH-SFHVURJKSA-N 1 1 297.402 3.024 20 30 CGEDMO N#Cc1ccc2[nH]cc(C[N@@H+]3CC[C@@H](C(F)(F)F)C3)c2c1 ZINC001140115071 804380907 /nfs/dbraw/zinc/38/09/07/804380907.db2.gz LVRVLBPUCHXCPO-GFCCVEGCSA-N 1 1 293.292 3.424 20 30 CGEDMO COCC[C@H]1CCCC[N@H+]1Cc1c[nH]c2ccc(C#N)cc12 ZINC001140114529 804381136 /nfs/dbraw/zinc/38/11/36/804381136.db2.gz SSDKHYFDYYGTSH-MRXNPFEDSA-N 1 1 297.402 3.431 20 30 CGEDMO C[C@@]1(F)CCCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001140136007 804384140 /nfs/dbraw/zinc/38/41/40/804384140.db2.gz CQDHOVYPPLJXQJ-OAHLLOKOSA-N 1 1 264.319 3.411 20 30 CGEDMO C[C@@]1(F)CCCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001140136007 804384151 /nfs/dbraw/zinc/38/41/51/804384151.db2.gz CQDHOVYPPLJXQJ-OAHLLOKOSA-N 1 1 264.319 3.411 20 30 CGEDMO Cc1cc(C[N@H+]2CCc3ccc(C#N)cc3C2)c(C)cc1O ZINC001140197122 804397613 /nfs/dbraw/zinc/39/76/13/804397613.db2.gz HOTJLFDUWAYNIT-UHFFFAOYSA-N 1 1 292.382 3.439 20 30 CGEDMO Cc1cc(C[N@H+]2CCc3cc(C#N)ccc3C2)c(C)cc1O ZINC001140197623 804399389 /nfs/dbraw/zinc/39/93/89/804399389.db2.gz RURPPRHOKLKHIP-UHFFFAOYSA-N 1 1 292.382 3.439 20 30 CGEDMO N#Cc1c(Nc2ccc[nH+]c2N)sc2c1CCCC2 ZINC001212389538 815015266 /nfs/dbraw/zinc/01/52/66/815015266.db2.gz VWDWYWBPFUSJDI-UHFFFAOYSA-N 1 1 270.361 3.219 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CC[C@](N)(C(F)(F)F)C3)C[C@H](C1)C2 ZINC001246565048 804413132 /nfs/dbraw/zinc/41/31/32/804413132.db2.gz AOEAJAKBFVMWEC-QNMSZWNNSA-N 1 1 288.357 3.087 20 30 CGEDMO C[C@H]1CNCCC[N@H+]1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246568743 804415666 /nfs/dbraw/zinc/41/56/66/804415666.db2.gz ANSMFEMYLKKHKI-MNNVXMFVSA-N 1 1 297.446 3.268 20 30 CGEDMO C[C@H]1C[NH2+]CCCN1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246568743 804415669 /nfs/dbraw/zinc/41/56/69/804415669.db2.gz ANSMFEMYLKKHKI-MNNVXMFVSA-N 1 1 297.446 3.268 20 30 CGEDMO C[C@@H]1CNCC[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001246571820 804419613 /nfs/dbraw/zinc/41/96/13/804419613.db2.gz NHAWUPCEHRKGNN-VNCLNFNDSA-N 1 1 297.446 3.126 20 30 CGEDMO C[C@@H]1C[NH2+]CCN(C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001246571820 804419617 /nfs/dbraw/zinc/41/96/17/804419617.db2.gz NHAWUPCEHRKGNN-VNCLNFNDSA-N 1 1 297.446 3.126 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140467564 804443962 /nfs/dbraw/zinc/44/39/62/804443962.db2.gz XRVDLEWOCITFEQ-LLVKDONJSA-N 1 1 264.756 3.171 20 30 CGEDMO COc1cc(F)cc(C[N@H+](CCC#N)C2CCCC2)c1 ZINC001140480029 804445533 /nfs/dbraw/zinc/44/55/33/804445533.db2.gz UOGQXWOYHMNAMU-UHFFFAOYSA-N 1 1 276.355 3.493 20 30 CGEDMO COc1cc(F)cc(C[N@@H+](CCC#N)C2CCCC2)c1 ZINC001140480029 804445539 /nfs/dbraw/zinc/44/55/39/804445539.db2.gz UOGQXWOYHMNAMU-UHFFFAOYSA-N 1 1 276.355 3.493 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)nc1)[C@H]1CCc2ccccc21 ZINC001140547678 804458283 /nfs/dbraw/zinc/45/82/83/804458283.db2.gz ZPPVTHPSEFWYBT-KRWDZBQOSA-N 1 1 263.344 3.073 20 30 CGEDMO COc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)nc2)c1 ZINC001140546124 804458548 /nfs/dbraw/zinc/45/85/48/804458548.db2.gz UVZIHLHIVLPXEV-SFHVURJKSA-N 1 1 293.370 3.299 20 30 CGEDMO C[N@@H+](CCc1cccc(Cl)c1)Cc1ccc(C#N)nc1 ZINC001140544296 804458820 /nfs/dbraw/zinc/45/88/20/804458820.db2.gz IQJQPGVCUFHZER-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO N#Cc1csc(CN[C@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC001256910752 807009274 /nfs/dbraw/zinc/00/92/74/807009274.db2.gz DLKUPFUSTHQLQH-AWEZNQCLSA-N 1 1 289.448 3.116 20 30 CGEDMO N#Cc1csc(CN[C@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC001256910752 807009279 /nfs/dbraw/zinc/00/92/79/807009279.db2.gz DLKUPFUSTHQLQH-AWEZNQCLSA-N 1 1 289.448 3.116 20 30 CGEDMO C=CC[N@H+](Cc1ccc2ncn(C)c2c1)C(C)(C)C ZINC001140741891 804503169 /nfs/dbraw/zinc/50/31/69/804503169.db2.gz BWVWBUNELVQASF-UHFFFAOYSA-N 1 1 257.381 3.360 20 30 CGEDMO N#Cc1c(F)cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1F ZINC001140752521 804505276 /nfs/dbraw/zinc/50/52/76/804505276.db2.gz LOBAHUIZZFBXQR-BETUJISGSA-N 1 1 276.330 3.458 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@]3(CCOC3)C2)c1Cl ZINC001140807742 804522615 /nfs/dbraw/zinc/52/26/15/804522615.db2.gz DFZNVOBAYGFBNM-INIZCTEOSA-N 1 1 290.794 3.214 20 30 CGEDMO N#CC1CCC([N@H+]2CCOC3(CCCCC3)C2)CC1 ZINC001256973392 807020398 /nfs/dbraw/zinc/02/03/98/807020398.db2.gz QEFBUCPGLXKJNC-UHFFFAOYSA-N 1 1 262.397 3.104 20 30 CGEDMO CCCCCCC[C@H](CCC)[N@H+]1CCN[C@@H](CCO)C1 ZINC001246877654 804576945 /nfs/dbraw/zinc/57/69/45/804576945.db2.gz XKXKVWJUNYDLSW-IRXDYDNUSA-N 1 1 284.488 3.172 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141077956 804585952 /nfs/dbraw/zinc/58/59/52/804585952.db2.gz GJFJARWCSVPHRP-INIZCTEOSA-N 1 1 294.442 3.231 20 30 CGEDMO N#CCC1CCC([N@H+]([C@H]2CCNC2)C2CCCCC2)CC1 ZINC001246978509 804626185 /nfs/dbraw/zinc/62/61/85/804626185.db2.gz LDADURXTBJCZGQ-VJFUWPCTSA-N 1 1 289.467 3.455 20 30 CGEDMO N#CCC1CCC([N@@H+]([C@H]2CCNC2)C2CCCCC2)CC1 ZINC001246978509 804626189 /nfs/dbraw/zinc/62/61/89/804626189.db2.gz LDADURXTBJCZGQ-VJFUWPCTSA-N 1 1 289.467 3.455 20 30 CGEDMO CSc1nc(C[N@H+]2CCCC2(C)C)ccc1C#N ZINC001141928914 804680699 /nfs/dbraw/zinc/68/06/99/804680699.db2.gz CRDDSYYPEKUIOG-UHFFFAOYSA-N 1 1 261.394 3.050 20 30 CGEDMO Cc1onc(-c2ccccc2)c1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001141992168 804685840 /nfs/dbraw/zinc/68/58/40/804685840.db2.gz FHIFBQVEOQXKJV-KRWDZBQOSA-N 1 1 281.359 3.386 20 30 CGEDMO Cc1onc(-c2ccccc2)c1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC001141992168 804685844 /nfs/dbraw/zinc/68/58/44/804685844.db2.gz FHIFBQVEOQXKJV-KRWDZBQOSA-N 1 1 281.359 3.386 20 30 CGEDMO C=C(C)CCC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001142282429 804712286 /nfs/dbraw/zinc/71/22/86/804712286.db2.gz ZRABUMVTSMPWIM-GASCZTMLSA-N 1 1 280.456 3.215 20 30 CGEDMO CC(C)(C)c1ccc(-c2noc(C(C)(C)[NH3+])n2)c(C#N)c1 ZINC001247490919 804748817 /nfs/dbraw/zinc/74/88/17/804748817.db2.gz HAVKNVQMZVVIJV-UHFFFAOYSA-N 1 1 284.363 3.100 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH3+])c1nc(-c2ccc(C)cc2Cl)no1 ZINC001247621116 804782119 /nfs/dbraw/zinc/78/21/19/804782119.db2.gz GIXRVXGKYDOILX-YMTOWFKASA-N 1 1 275.739 3.058 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2ccc3cnccc3c2)no1 ZINC001247622205 804782953 /nfs/dbraw/zinc/78/29/53/804782953.db2.gz IHMLSIGDHSJEHF-CQSZACIVSA-N 1 1 280.331 3.251 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2ccccc2-c2cnco2)no1 ZINC001247622577 804783481 /nfs/dbraw/zinc/78/34/81/804783481.db2.gz NXYALTQQWBMXGY-ZDUSSCGKSA-N 1 1 296.330 3.358 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2cccc3occc32)no1 ZINC001247622187 804783491 /nfs/dbraw/zinc/78/34/91/804783491.db2.gz HXQLGYVIFGQALF-LBPRGKRZSA-N 1 1 269.304 3.449 20 30 CGEDMO C=CC[N@H+](Cc1ccc(CC(=O)OC)cc1)C(C)(C)C ZINC001142912900 804783552 /nfs/dbraw/zinc/78/35/52/804783552.db2.gz ZJCOCHAPQZMODL-UHFFFAOYSA-N 1 1 275.392 3.189 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cc(C)c(OC)c(C)c2)no1 ZINC001247622158 804783659 /nfs/dbraw/zinc/78/36/59/804783659.db2.gz HIAACYXWKJURMS-CYBMUJFWSA-N 1 1 287.363 3.328 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2cc(C(F)(F)F)ccn2)no1 ZINC001247622987 804784448 /nfs/dbraw/zinc/78/44/48/804784448.db2.gz UJKKUJQUGBXEGN-VIFPVBQESA-N 1 1 298.268 3.116 20 30 CGEDMO N#Cc1ccc2c(C[N@H+]3CCc4occc4C3)c[nH]c2c1 ZINC001142922320 804784779 /nfs/dbraw/zinc/78/47/79/804784779.db2.gz CIGLBAYAOLCXLF-UHFFFAOYSA-N 1 1 277.327 3.191 20 30 CGEDMO C[N@H+](Cc1cncs1)Cc1c[nH]c2cc(C#N)ccc12 ZINC001142926135 804784835 /nfs/dbraw/zinc/78/48/35/804784835.db2.gz KAPIBFGDKCJSSL-UHFFFAOYSA-N 1 1 282.372 3.128 20 30 CGEDMO C[N@@H+](Cc1cncs1)Cc1c[nH]c2cc(C#N)ccc12 ZINC001142926135 804784837 /nfs/dbraw/zinc/78/48/37/804784837.db2.gz KAPIBFGDKCJSSL-UHFFFAOYSA-N 1 1 282.372 3.128 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cnc2ccc(Cl)nn12 ZINC001142999920 804793202 /nfs/dbraw/zinc/79/32/02/804793202.db2.gz QEAAIPIZEOKGDP-UHFFFAOYSA-N 1 1 278.787 3.171 20 30 CGEDMO C[N@H+]1CCC[C@@H](CCNc2cc(C#N)cc3[nH]ccc32)C1 ZINC001165290423 806989394 /nfs/dbraw/zinc/98/93/94/806989394.db2.gz UDEMBWBOYYKQOB-ZDUSSCGKSA-N 1 1 282.391 3.183 20 30 CGEDMO CC1CC[NH+](Cc2c(F)ccc(C#N)c2F)CC1 ZINC001143164342 804814125 /nfs/dbraw/zinc/81/41/25/804814125.db2.gz ZNQMUQLRKPOUDR-UHFFFAOYSA-N 1 1 250.292 3.068 20 30 CGEDMO C[C@@H]1CCC[N@H+](Cc2c(F)ccc(C#N)c2F)[C@H]1C ZINC001143171187 804815426 /nfs/dbraw/zinc/81/54/26/804815426.db2.gz SXRGBTNHDBJKQT-MNOVXSKESA-N 1 1 264.319 3.457 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2c(F)ccc(C#N)c2F)[C@H]1C ZINC001143171187 804815432 /nfs/dbraw/zinc/81/54/32/804815432.db2.gz SXRGBTNHDBJKQT-MNOVXSKESA-N 1 1 264.319 3.457 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2c(F)ccc(C#N)c2F)C2(CC2)C1 ZINC001143175941 804816425 /nfs/dbraw/zinc/81/64/25/804816425.db2.gz MIZMRPOFWCUICZ-JTQLQIEISA-N 1 1 262.303 3.211 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2c(F)ccc(C#N)c2F)C2(CC2)C1 ZINC001143175941 804816431 /nfs/dbraw/zinc/81/64/31/804816431.db2.gz MIZMRPOFWCUICZ-JTQLQIEISA-N 1 1 262.303 3.211 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2cc(C)cc(Cl)c2)no1 ZINC001247968523 804858818 /nfs/dbraw/zinc/85/88/18/804858818.db2.gz XRQSXCOLVNCPMD-NSHDSACASA-N 1 1 263.728 3.274 20 30 CGEDMO N#Cc1ccc(C2CCC([N@H+]3CC[C@]34CCOC4)CC2)cc1 ZINC001257022924 807029711 /nfs/dbraw/zinc/02/97/11/807029711.db2.gz RSOMZKLUMTWGMV-CTWPCTMYSA-N 1 1 296.414 3.449 20 30 CGEDMO C#CC1CC[NH+](Cc2cc(F)c(OCC)c(F)c2)CC1 ZINC001144033615 804929415 /nfs/dbraw/zinc/92/94/15/804929415.db2.gz YBRVFLAASIHMAL-UHFFFAOYSA-N 1 1 279.330 3.209 20 30 CGEDMO CC1(C#N)CC[NH+](Cc2cc(Cl)cn3ccnc23)CC1 ZINC001248451860 804934549 /nfs/dbraw/zinc/93/45/49/804934549.db2.gz NQBZNWWQJCSJQE-UHFFFAOYSA-N 1 1 288.782 3.113 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@@H+](C)Cc1ccccn1 ZINC001248748319 804983077 /nfs/dbraw/zinc/98/30/77/804983077.db2.gz FRYXXSMEAAVECP-UHFFFAOYSA-N 1 1 265.360 3.148 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+](CC)CCN1CCCCC1 ZINC001248751973 804984454 /nfs/dbraw/zinc/98/44/54/804984454.db2.gz RNGHTCBJAYFAIJ-UHFFFAOYSA-N 1 1 299.462 3.428 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@@H+](CC)CCN1CCCCC1 ZINC001248751973 804984458 /nfs/dbraw/zinc/98/44/58/804984458.db2.gz RNGHTCBJAYFAIJ-UHFFFAOYSA-N 1 1 299.462 3.428 20 30 CGEDMO N#Cc1ccn2ncc(C[N@H+]3CCC[C@H]4CCCC[C@@H]43)c2c1 ZINC001249107066 805090941 /nfs/dbraw/zinc/09/09/41/805090941.db2.gz QBWQVXBBLXIAJK-WBVHZDCISA-N 1 1 294.402 3.361 20 30 CGEDMO CCC[N@H+](Cc1cnn2ccc(C#N)cc12)CC(C)C ZINC001249119394 805092783 /nfs/dbraw/zinc/09/27/83/805092783.db2.gz VNVCMNJRSQSXJX-UHFFFAOYSA-N 1 1 270.380 3.074 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC2(CN(C(=O)CCC)C2)C1 ZINC001146875765 805095902 /nfs/dbraw/zinc/09/59/02/805095902.db2.gz IMLSXUDIUOEZKY-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(CN(C(=O)c3ccccc3C)C2)C1 ZINC001146929119 805098975 /nfs/dbraw/zinc/09/89/75/805098975.db2.gz PKTADFSHZURMDG-UHFFFAOYSA-N 1 1 298.430 3.109 20 30 CGEDMO CC[C@H]1C[C@H]([N@@H+](C)CCC#N)CCN1C(=O)OC(C)(C)C ZINC001257124142 807054531 /nfs/dbraw/zinc/05/45/31/807054531.db2.gz ZGPRMCYXYVEPFU-UONOGXRCSA-N 1 1 295.427 3.010 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H](C)CCCC)C2)C1 ZINC001147469449 805131972 /nfs/dbraw/zinc/13/19/72/805131972.db2.gz ZDWOFMHTIVEIIY-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)/C=C(\C)CC)C2)C1 ZINC001147491374 805134632 /nfs/dbraw/zinc/13/46/32/805134632.db2.gz WUHUDDVEYLDLLU-SFKKXYGYSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1CCC2(CN(C(=O)CCCCC(C)(C)C)C2)C1 ZINC001147610712 805140287 /nfs/dbraw/zinc/14/02/87/805140287.db2.gz KXVREWBOKHEFLU-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC2(C1)CC[N@H+](CCC(=C)C)C2 ZINC001147652126 805141625 /nfs/dbraw/zinc/14/16/25/805141625.db2.gz AWPHHJVFDVIYKX-UHFFFAOYSA-N 1 1 290.451 3.089 20 30 CGEDMO N#Cc1ccc2cc(C[N@@H+]3[C@@H]4CC[C@H]3C[C@H](C#N)C4)[nH]c2c1 ZINC001249429533 805146373 /nfs/dbraw/zinc/14/63/73/805146373.db2.gz GGLLSZUIKPBNAH-FFGGFLGDSA-N 1 1 290.370 3.306 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@H](C)[C@H](C)CC)C2)C1 ZINC001148501581 805191785 /nfs/dbraw/zinc/19/17/85/805191785.db2.gz SNMCCOYPFYNBCO-HZPDHXFCSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC=CCC1 ZINC001151830913 805316002 /nfs/dbraw/zinc/31/60/02/805316002.db2.gz PVDCAHJMTRDJCX-HZPDHXFCSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)c1oc(C)cc1C ZINC001152701519 805363962 /nfs/dbraw/zinc/36/39/62/805363962.db2.gz FQJLURXMYHLJOB-GFCCVEGCSA-N 1 1 298.814 3.089 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)c1oc(C)cc1C ZINC001152701519 805363969 /nfs/dbraw/zinc/36/39/69/805363969.db2.gz FQJLURXMYHLJOB-GFCCVEGCSA-N 1 1 298.814 3.089 20 30 CGEDMO C#CCCCCC(=O)NC[C@@H](C)[N@H+](CC)C[C@@H](C)CC ZINC001152841452 805371297 /nfs/dbraw/zinc/37/12/97/805371297.db2.gz CQSAFQATYBUYLR-JKSUJKDBSA-N 1 1 280.456 3.053 20 30 CGEDMO C#CCCCCC(=O)NC[C@@H](C)[N@@H+](CC)CCCCCF ZINC001152873287 805371943 /nfs/dbraw/zinc/37/19/43/805371943.db2.gz IIODSMSQZAJLFU-MRXNPFEDSA-N 1 1 298.446 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)CCCC ZINC001153084914 805383966 /nfs/dbraw/zinc/38/39/66/805383966.db2.gz VOAGPSSHPVHLIA-TZMCWYRMSA-N 1 1 288.863 3.392 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)CCCC ZINC001153084914 805383975 /nfs/dbraw/zinc/38/39/75/805383975.db2.gz VOAGPSSHPVHLIA-TZMCWYRMSA-N 1 1 288.863 3.392 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccsc1 ZINC001153625630 805408708 /nfs/dbraw/zinc/40/87/08/805408708.db2.gz BBYYHJRHNOVTBZ-CQSZACIVSA-N 1 1 294.464 3.431 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H](C)[N@@H+](CC)CC=C(C)C ZINC001153625617 805408740 /nfs/dbraw/zinc/40/87/40/805408740.db2.gz AJZNHVFUUVKTBF-OAHLLOKOSA-N 1 1 266.429 3.136 20 30 CGEDMO C#CCC1(C(=O)NC[C@@H](C)[N@H+](CC)C[C@@H](C)CC)CCC1 ZINC001153776134 805414425 /nfs/dbraw/zinc/41/44/25/805414425.db2.gz CSRJRQUGBNIICV-JKSUJKDBSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)C1CCC1 ZINC001153990901 805424968 /nfs/dbraw/zinc/42/49/68/805424968.db2.gz XBOQMOZNSBPVIH-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C12CCC(CC1)C2 ZINC001154026279 805428619 /nfs/dbraw/zinc/42/86/19/805428619.db2.gz ONOFLKILLCVLGT-VQCLRJIVSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C12CCC(CC1)C2 ZINC001154026279 805428623 /nfs/dbraw/zinc/42/86/23/805428623.db2.gz ONOFLKILLCVLGT-VQCLRJIVSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)C12CCC(CC1)C2 ZINC001154029155 805429264 /nfs/dbraw/zinc/42/92/64/805429264.db2.gz BNVDUSPPMSYOBL-KLHKWILBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)Cc1ccccc1 ZINC001154058964 805430587 /nfs/dbraw/zinc/43/05/87/805430587.db2.gz KKUABUZBTHWMHX-MRXNPFEDSA-N 1 1 288.435 3.022 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1cc(C)sc1C ZINC001154205824 805439460 /nfs/dbraw/zinc/43/94/60/805439460.db2.gz UQRYSWFJUZHDED-GFCCVEGCSA-N 1 1 294.464 3.381 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)C[C@H](CC)CCCC ZINC001154385631 805453400 /nfs/dbraw/zinc/45/34/00/805453400.db2.gz OMEFOVJWUHGPQF-IAGOWNOFSA-N 1 1 294.483 3.443 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)CCCCC ZINC001154606019 805467134 /nfs/dbraw/zinc/46/71/34/805467134.db2.gz WTRNZQDOENWXTB-CQSZACIVSA-N 1 1 268.445 3.215 20 30 CGEDMO C=C/C(C)=C\CC(=O)NC[C@@H](C)[N@@H+](CC)CCC(=C)C ZINC001154677370 805477425 /nfs/dbraw/zinc/47/74/25/805477425.db2.gz POMIUWWQPYVUIT-QOBZYLRHSA-N 1 1 278.440 3.302 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H](C)[N@@H+](CC)CC(C)C ZINC001155040716 805528500 /nfs/dbraw/zinc/52/85/00/805528500.db2.gz CRSBVPWNLYCCJK-ZBFHGGJFSA-N 1 1 268.445 3.071 20 30 CGEDMO N#Cc1c[nH]c2cc[nH+]c(N[C@@H]3CCCC[C@H]3F)c12 ZINC001155063123 805531064 /nfs/dbraw/zinc/53/10/64/805531064.db2.gz YFJLLPRTOHFPRK-GHMZBOCLSA-N 1 1 258.300 3.127 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)c1ccsc1 ZINC001155200458 805555296 /nfs/dbraw/zinc/55/52/96/805555296.db2.gz RBTIWPFNQMQQQG-ZIAGYGMSSA-N 1 1 294.464 3.254 20 30 CGEDMO COc1cccc(C[N@@H+](C)C2CCC(C#N)CC2)c1OC ZINC001256973603 807022610 /nfs/dbraw/zinc/02/26/10/807022610.db2.gz UICNMCRUIIXXPI-UHFFFAOYSA-N 1 1 288.391 3.218 20 30 CGEDMO CC(C)[N@@H+](CCN)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257011492 807026977 /nfs/dbraw/zinc/02/69/77/807026977.db2.gz PRVSFJNJKPUUOX-UHFFFAOYSA-N 1 1 285.435 3.254 20 30 CGEDMO C[C@@H]1CC[C@H](O)C[N@H+]1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257017082 807027461 /nfs/dbraw/zinc/02/74/61/807027461.db2.gz NXQSOXWJMKGEOQ-UJPJLTBQSA-N 1 1 298.430 3.430 20 30 CGEDMO C[C@@H]1CC[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)C[C@H]1O ZINC001257017032 807028157 /nfs/dbraw/zinc/02/81/57/807028157.db2.gz NATZZVQCRNSXDC-YOODTLSXSA-N 1 1 298.430 3.287 20 30 CGEDMO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](C(CC)CC)C2 ZINC001257296678 807092093 /nfs/dbraw/zinc/09/20/93/807092093.db2.gz LVPCGNZBYRNTEX-SJORKVTESA-N 1 1 281.440 3.249 20 30 CGEDMO Cc1[nH+]c(N2CCC[C@H]2c2nccs2)ccc1CC#N ZINC001167044494 807135810 /nfs/dbraw/zinc/13/58/10/807135810.db2.gz WKCUADSVCNHLJC-ZDUSSCGKSA-N 1 1 284.388 3.254 20 30 CGEDMO C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@@H](CC)CCCC)C1 ZINC001257427882 807151202 /nfs/dbraw/zinc/15/12/02/807151202.db2.gz BQQRFRSVHUUILG-CABCVRRESA-N 1 1 282.428 3.332 20 30 CGEDMO C=CCN(Cc1ccccc1)c1[nH+]cnc2[nH]c(C)cc21 ZINC001167125869 807155588 /nfs/dbraw/zinc/15/55/88/807155588.db2.gz CVYRIRNMAOLYHG-UHFFFAOYSA-N 1 1 278.359 3.459 20 30 CGEDMO C=CC[C@H]([NH2+][C@H](C)CC[C@H](C)CCC)C(=O)OC ZINC001257472108 807172833 /nfs/dbraw/zinc/17/28/33/807172833.db2.gz QOZXHYFFDFNPJQ-MCIONIFRSA-N 1 1 255.402 3.299 20 30 CGEDMO C=CC[C@H]([NH2+][C@H](C)CC[C@@H](C)CCC)C(=O)OC ZINC001257472111 807172885 /nfs/dbraw/zinc/17/28/85/807172885.db2.gz QOZXHYFFDFNPJQ-MJBXVCDLSA-N 1 1 255.402 3.299 20 30 CGEDMO C=CCc1cc(C)c[nH+]c1NCC1(c2ccccc2)COC1 ZINC001167290115 807176599 /nfs/dbraw/zinc/17/65/99/807176599.db2.gz IEWUXJURPKPSNV-UHFFFAOYSA-N 1 1 294.398 3.499 20 30 CGEDMO C=C(C)C(=O)NCCCNc1[nH+]cc(C)c2ccccc21 ZINC001167666261 807224737 /nfs/dbraw/zinc/22/47/37/807224737.db2.gz CPMOAQDJBXSZHQ-UHFFFAOYSA-N 1 1 283.375 3.038 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCN(C)c4ncccc4C3)C[C@H](C1)C2 ZINC001257893173 807242373 /nfs/dbraw/zinc/24/23/73/807242373.db2.gz MSBAUDPKEKXOLF-BYICEURKSA-N 1 1 297.446 3.468 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+](CCOC)C(C)C)C[C@H](C1)C2 ZINC001257893581 807244073 /nfs/dbraw/zinc/24/40/73/807244073.db2.gz SSRZUZHDFODZBY-XYPWUTKMSA-N 1 1 251.414 3.478 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+](CC(=O)OCC)C3CC3)C[C@H](C1)C2 ZINC001257894058 807244126 /nfs/dbraw/zinc/24/41/26/807244126.db2.gz JYTBLONIHQWQAZ-MZBDJJRSSA-N 1 1 277.408 3.149 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CC[C@](C)(C(=O)OC)C3)C[C@H](C1)C2 ZINC001257893806 807244481 /nfs/dbraw/zinc/24/44/81/807244481.db2.gz ABZDQECDIMMJRV-MYSGWJLTSA-N 1 1 277.408 3.006 20 30 CGEDMO FC(F)(F)C(F)(F)C(F)(F)C[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167894134 807268987 /nfs/dbraw/zinc/26/89/87/807268987.db2.gz NJQBXIPFPYCICQ-ZMONIFLSSA-N 1 1 279.199 3.207 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1C[C@H](F)C[C@H](CO)C1 ZINC001258043600 807273575 /nfs/dbraw/zinc/27/35/75/807273575.db2.gz DYZDINFVZBJOQG-SOUVJXGZSA-N 1 1 259.409 3.388 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1Cc2ccnn2CC[C@H]1CO ZINC001258050768 807277072 /nfs/dbraw/zinc/27/70/72/807277072.db2.gz XTYRYBZKFVRRLR-WBVHZDCISA-N 1 1 293.455 3.199 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC001258050492 807277208 /nfs/dbraw/zinc/27/72/08/807277208.db2.gz WAGZKNGGPFJMRQ-LSDHHAIUSA-N 1 1 266.429 3.042 20 30 CGEDMO N#Cc1ccccc1O[C@H]1CCC[N@H+]([C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001167951885 807280887 /nfs/dbraw/zinc/28/08/87/807280887.db2.gz LSEJMQXBSQQGFL-HZMVEIRTSA-N 1 1 282.387 3.200 20 30 CGEDMO C#CCC[NH2+]C1C[C@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168022953 807301585 /nfs/dbraw/zinc/30/15/85/807301585.db2.gz UDPRTRGKXMYWKR-HOTGVXAUSA-N 1 1 270.420 3.041 20 30 CGEDMO CC1CCC([N@H+]2CCc3cc(C#N)ccc3C2)CC1 ZINC001168210717 807351612 /nfs/dbraw/zinc/35/16/12/807351612.db2.gz XHUSIVIOCKORFU-UHFFFAOYSA-N 1 1 254.377 3.495 20 30 CGEDMO CCCC[N@@H+](CCC#N)[C@H]1Cc2ccc(OC)cc2C1 ZINC001168274470 807370165 /nfs/dbraw/zinc/37/01/65/807370165.db2.gz SVFBAXGDRWFMSG-INIZCTEOSA-N 1 1 272.392 3.178 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH2+][C@@H]1CCCC(C)(C)C1)C(=O)OCC ZINC001258278168 807391712 /nfs/dbraw/zinc/39/17/12/807391712.db2.gz RHBLPPQGSNSNAE-XJKCOSOUSA-N 1 1 265.397 3.053 20 30 CGEDMO C[C@@H](Cc1cccc(F)c1)[N@H+]1CCC[C@H](CC#N)C1 ZINC001168492382 807434958 /nfs/dbraw/zinc/43/49/58/807434958.db2.gz RBPWRLZXYFQAJB-UONOGXRCSA-N 1 1 260.356 3.382 20 30 CGEDMO C[C@@H](Cc1cccc(F)c1)[N@H+]1CCC[C@@H](C#N)CC1 ZINC001168497098 807436301 /nfs/dbraw/zinc/43/63/01/807436301.db2.gz MOBSBJJNWBNRNQ-UONOGXRCSA-N 1 1 260.356 3.382 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168658411 807470192 /nfs/dbraw/zinc/47/01/92/807470192.db2.gz ABAMEIVJBNBJEZ-GOEBONIOSA-N 1 1 261.365 3.033 20 30 CGEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@@H]1CCC(C)(C)C1)C2 ZINC001258606327 807504228 /nfs/dbraw/zinc/50/42/28/807504228.db2.gz VPQKFDONPFLPEJ-RYRKJORJSA-N 1 1 293.451 3.391 20 30 CGEDMO CC(C)C[C@@H](Cc1ccccc1)[NH+]1CC(C)(C#N)C1 ZINC001169068938 807565929 /nfs/dbraw/zinc/56/59/29/807565929.db2.gz BDJIBBFGDDLGKD-INIZCTEOSA-N 1 1 256.393 3.489 20 30 CGEDMO C=CCC[C@H](C)[NH2+]C1CCN(CC2CCC2)CC1 ZINC001258721223 807569674 /nfs/dbraw/zinc/56/96/74/807569674.db2.gz PXPZNRMJILLTKH-AWEZNQCLSA-N 1 1 250.430 3.195 20 30 CGEDMO C=CCC[C@@H](C)[NH2+][C@@H](CC1CCC1)C(=O)OCC ZINC001258723328 807570801 /nfs/dbraw/zinc/57/08/01/807570801.db2.gz YVHFTQCBTCXTHB-OCCSQVGLSA-N 1 1 253.386 3.053 20 30 CGEDMO C=CCC[C@@H](C)[NH+]1CCC(N)(c2ccccc2)CC1 ZINC001258724443 807572311 /nfs/dbraw/zinc/57/23/11/807572311.db2.gz WPKOXRPFYROGNH-OAHLLOKOSA-N 1 1 258.409 3.291 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCC[C@](O)(C(F)(F)F)C1 ZINC001258724645 807572396 /nfs/dbraw/zinc/57/23/96/807572396.db2.gz BLSNYIUSWVDACM-NWDGAFQWSA-N 1 1 265.319 3.120 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](CC(=O)OCC)C1 ZINC001258726420 807574613 /nfs/dbraw/zinc/57/46/13/807574613.db2.gz SLKOQUMEGUHVRR-KGLIPLIRSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001258727609 807575281 /nfs/dbraw/zinc/57/52/81/807575281.db2.gz IEPXENKFAZFWHP-KFWWJZLASA-N 1 1 294.439 3.282 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@@H]21 ZINC001258728767 807575787 /nfs/dbraw/zinc/57/57/87/807575787.db2.gz PYEZMZFDLLNEQL-MELADBBJSA-N 1 1 280.412 3.035 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC001258735052 807580608 /nfs/dbraw/zinc/58/06/08/807580608.db2.gz NIJKAEGCHLJVTJ-KGLIPLIRSA-N 1 1 267.413 3.395 20 30 CGEDMO C=CCC[C@H](C)N(c1cc(OC)ccn1)C1CC[NH2+]CC1 ZINC001258735840 807581659 /nfs/dbraw/zinc/58/16/59/807581659.db2.gz DAPVRPWQHQSECW-AWEZNQCLSA-N 1 1 289.423 3.003 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cc(Br)ccc1C ZINC001169901016 807721796 /nfs/dbraw/zinc/72/17/96/807721796.db2.gz PTWGZFHTGPFPHH-UHFFFAOYSA-N 1 1 298.224 3.392 20 30 CGEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H]1CC[C@H](C)C1)C2 ZINC001170143983 807774033 /nfs/dbraw/zinc/77/40/33/807774033.db2.gz BDEYBACQZDZNKM-VVLHAWIVSA-N 1 1 279.424 3.001 20 30 CGEDMO C[C@@H]1C[N@H+](C2CCC(C#N)(c3ccccc3)CC2)CC[C@H]1O ZINC001170379013 807832166 /nfs/dbraw/zinc/83/21/66/807832166.db2.gz ORAIFKUEIUCLKO-ZTRSQXPZSA-N 1 1 298.430 3.093 20 30 CGEDMO CC[N@@H+](CCOC)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170376188 807832241 /nfs/dbraw/zinc/83/22/41/807832241.db2.gz KYSXLLUDJZPQGR-UHFFFAOYSA-N 1 1 286.419 3.359 20 30 CGEDMO C[C@@H]1C[N@H+](C2CCC(C#N)(c3ccccc3)CC2)[C@H](C)CO1 ZINC001170396056 807834499 /nfs/dbraw/zinc/83/44/99/807834499.db2.gz UGNOMIUIIRESNQ-FDCMFXBMSA-N 1 1 298.430 3.500 20 30 CGEDMO CC1(C)[C@@H]2C[C@H]([N@H+]3CCc4cc(C#N)ccc4C3)C[C@@H]21 ZINC001170744933 807896770 /nfs/dbraw/zinc/89/67/70/807896770.db2.gz BUHKJEWCTNCQAG-BJWYYQGGSA-N 1 1 266.388 3.351 20 30 CGEDMO C=CCC[C@H]1CCCN1C(=O)NCCCC[N@H+](C)C1CC1 ZINC001263110662 807934425 /nfs/dbraw/zinc/93/44/25/807934425.db2.gz DEMXNEPLVKWGDI-INIZCTEOSA-N 1 1 293.455 3.001 20 30 CGEDMO N#C[C@@H]1CCC[N@H+]([C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001171002284 807956406 /nfs/dbraw/zinc/95/64/06/807956406.db2.gz UUIROSLDHRPXIC-UKRRQHHQSA-N 1 1 272.367 3.309 20 30 CGEDMO Cc1cc(N[C@@H]2CCc3c2cccc3C#N)nc(C)[nH+]1 ZINC001171059181 807976938 /nfs/dbraw/zinc/97/69/38/807976938.db2.gz GEOCJDGJVIKIPZ-OAHLLOKOSA-N 1 1 264.332 3.065 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC001171116850 807990473 /nfs/dbraw/zinc/99/04/73/807990473.db2.gz CLODNUNAVVVUJC-OAHLLOKOSA-N 1 1 268.445 3.147 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(CC)CCCC1 ZINC001263816602 808007627 /nfs/dbraw/zinc/00/76/27/808007627.db2.gz FKCOWVZNGNNKHB-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO Cc1nc2c(s1)C[N@@H+]([C@@H](C)Cc1cccc(C#N)c1)CC2 ZINC001171220672 808010369 /nfs/dbraw/zinc/01/03/69/808010369.db2.gz AUEZSXMASLRYIG-LBPRGKRZSA-N 1 1 297.427 3.313 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC001171221293 808010586 /nfs/dbraw/zinc/01/05/86/808010586.db2.gz KEKDTUOLMUTECS-CRAIPNDOSA-N 1 1 291.398 3.374 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@H](c2ccncc2)C1 ZINC001171221231 808011472 /nfs/dbraw/zinc/01/14/72/808011472.db2.gz JHNGTTMPWTXLMX-BEFAXECRSA-N 1 1 291.398 3.374 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C=C(C)C)C[C@@H]2C1 ZINC001264081870 808034133 /nfs/dbraw/zinc/03/41/33/808034133.db2.gz KXWWZOMNOSJNHQ-BBWFWOEESA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCOc1ccccc1[C@H](C)[NH2+]c1cccc(=O)n1C ZINC001171374172 808037772 /nfs/dbraw/zinc/03/77/72/808037772.db2.gz OEQOTNNTMCULML-ZDUSSCGKSA-N 1 1 284.359 3.123 20 30 CGEDMO C=CCOc1ccccc1[C@@H](C)Nc1cc[nH+]c(N(C)C)n1 ZINC001171368429 808038440 /nfs/dbraw/zinc/03/84/40/808038440.db2.gz FFOQFIMZISGPJX-CYBMUJFWSA-N 1 1 298.390 3.281 20 30 CGEDMO C#CCCCCC(=O)N[C@H]1CC[N@H+](CC(CC)CC)[C@@H]1C ZINC001264138313 808039886 /nfs/dbraw/zinc/03/98/86/808039886.db2.gz SGXJBADXHLGLKW-WBVHZDCISA-N 1 1 292.467 3.195 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[C@H](C)CC(C)C)[C@H]1C ZINC001264168011 808043311 /nfs/dbraw/zinc/04/33/11/808043311.db2.gz JLZYPMJNHCLYHT-OAGGEKHMSA-N 1 1 280.456 3.214 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)C[C@H](CC)C(C)(C)C)[C@H]1C ZINC001264168068 808043462 /nfs/dbraw/zinc/04/34/62/808043462.db2.gz LNKBRLPGYMOSIC-PMPSAXMXSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CC1CCCC1 ZINC001264179277 808044993 /nfs/dbraw/zinc/04/49/93/808044993.db2.gz PBKAOEGTPKTIMX-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC(C)C ZINC001264584475 808078303 /nfs/dbraw/zinc/07/83/03/808078303.db2.gz WKEDRHGSCONKNP-HYVNUMGLSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@H+](C[C@@H](C)CC)[C@@H]1CC ZINC001264617660 808081414 /nfs/dbraw/zinc/08/14/14/808081414.db2.gz XHQBTALAUJAQTM-HRCADAONSA-N 1 1 280.456 3.358 20 30 CGEDMO CCC(CC)C[N@H+]1CC[C@H](NC(=O)C#CC(C)C)[C@H]1CC ZINC001264608239 808081949 /nfs/dbraw/zinc/08/19/49/808081949.db2.gz XFQRPLLWOQBCOV-DLBZAZTESA-N 1 1 292.467 3.051 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)SC)[C@H]1C ZINC001264690034 808086478 /nfs/dbraw/zinc/08/64/78/808086478.db2.gz OSWHHGRMEXDJED-KFWWJZLASA-N 1 1 298.496 3.063 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C2CCC2)[C@H]1C ZINC001264712575 808088726 /nfs/dbraw/zinc/08/87/26/808088726.db2.gz HGUXKDNOYLNQDD-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@H]2CCc3c(C)cccc3C2)C1 ZINC001171573391 808101104 /nfs/dbraw/zinc/10/11/04/808101104.db2.gz HLFXSDFECVQWFG-WBVHZDCISA-N 1 1 253.389 3.198 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)C(C)=C2CCC2)C1 ZINC001265281259 808125035 /nfs/dbraw/zinc/12/50/35/808125035.db2.gz JRVVZGIYZPUVBX-XJKSGUPXSA-N 1 1 276.424 3.032 20 30 CGEDMO C#CCCCCCC(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001265296607 808127213 /nfs/dbraw/zinc/12/72/13/808127213.db2.gz AIXPEMLIWAJBDI-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)C23CCC(CC2)C3)C1 ZINC001265289841 808127549 /nfs/dbraw/zinc/12/75/49/808127549.db2.gz DKAKCVKSQZXCSL-CTMQZQKCSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](F)C(C)C)C1 ZINC001265393441 808137862 /nfs/dbraw/zinc/13/78/62/808137862.db2.gz YPHUOHPBHCITHK-CVEARBPZSA-N 1 1 298.446 3.117 20 30 CGEDMO CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C)CCCC)C1 ZINC001265388507 808138762 /nfs/dbraw/zinc/13/87/62/808138762.db2.gz GDEDGSIOAANAIA-IRXDYDNUSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(CCCC)CC1 ZINC001265411223 808141322 /nfs/dbraw/zinc/14/13/22/808141322.db2.gz GJZWSOSOUKSYCQ-IYBDPMFKSA-N 1 1 290.451 3.208 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC001265588114 808158340 /nfs/dbraw/zinc/15/83/40/808158340.db2.gz AEWTUGXBETXKIL-BRWVUGGUSA-N 1 1 294.483 3.441 20 30 CGEDMO CCOC(=O)C1(C)CCC([N@H+]2CCC[C@H](CC#N)C2)CC1 ZINC001171956148 808159174 /nfs/dbraw/zinc/15/91/74/808159174.db2.gz NHSPPOGRVDDGRV-HPUBIQBYSA-N 1 1 292.423 3.124 20 30 CGEDMO CC1(C)C[C@H](N2CC[C@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC001171987734 808164614 /nfs/dbraw/zinc/16/46/14/808164614.db2.gz IMLJVFWFDDDMRF-QZTJIDSGSA-N 1 1 297.446 3.275 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)C1(C)CCC(C)CC1 ZINC001265657691 808165902 /nfs/dbraw/zinc/16/59/02/808165902.db2.gz INTSUDRHXYLENJ-PQUAAJSLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@H]2CCCC[N@@H+]2C[C@H](F)CC)C1 ZINC001265654240 808166267 /nfs/dbraw/zinc/16/62/67/808166267.db2.gz QDZHOEXDQDAFCM-HUUCEWRRSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C/C=C/Cl)C1 ZINC001265705856 808172152 /nfs/dbraw/zinc/17/21/52/808172152.db2.gz NWLKGIFFOMSWLI-QPJKDDTCSA-N 1 1 298.858 3.168 20 30 CGEDMO C=C(C)CCC(=O)NCCC[N@H+](C)CC1=CCCCC1 ZINC001265855533 808188845 /nfs/dbraw/zinc/18/88/45/808188845.db2.gz VHRWXKGWXACMAA-UHFFFAOYSA-N 1 1 278.440 3.281 20 30 CGEDMO CCCCCCCC[N@@H+](C)[C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172180069 808190507 /nfs/dbraw/zinc/19/05/07/808190507.db2.gz WSMIWYNTCNTCQR-HOTGVXAUSA-N 1 1 280.456 3.432 20 30 CGEDMO CCCCCCC[N@@H+](CC)[C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172178742 808190719 /nfs/dbraw/zinc/19/07/19/808190719.db2.gz OCFCVIWGFPTBFV-HZPDHXFCSA-N 1 1 280.456 3.432 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCNC(=O)[C@H](C)c1ccsc1 ZINC001265921589 808193252 /nfs/dbraw/zinc/19/32/52/808193252.db2.gz QQXYXFPOBUJDSF-CQSZACIVSA-N 1 1 294.464 3.256 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@@H]2CSc3ccccc3C2)C1 ZINC001172205711 808198766 /nfs/dbraw/zinc/19/87/66/808198766.db2.gz JUDXUAIHQMFKLE-HIFRSBDPSA-N 1 1 257.402 3.049 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)CCCC)C1 ZINC001266099499 808211971 /nfs/dbraw/zinc/21/19/71/808211971.db2.gz GZTRIORGCXARIA-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)CC)C1 ZINC001266110942 808212825 /nfs/dbraw/zinc/21/28/25/808212825.db2.gz SHEVHZLERXAMPJ-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO CO[C@@H]1CCC[C@@H]2C[N@H+]([C@H](C)Cc3ccc(C#N)cc3)C[C@@H]21 ZINC001172309878 808222923 /nfs/dbraw/zinc/22/29/23/808222923.db2.gz VXVJVSLXXCRIPK-DQEVTTJGSA-N 1 1 298.430 3.236 20 30 CGEDMO CO[C@H]1CCC[C@@H]2C[N@H+]([C@@H](C)Cc3ccc(C#N)cc3)C[C@@H]21 ZINC001172309881 808223211 /nfs/dbraw/zinc/22/32/11/808223211.db2.gz VXVJVSLXXCRIPK-VLQPXKRTSA-N 1 1 298.430 3.236 20 30 CGEDMO CC(C)N1CC[C@H]([NH2+][C@H](C)Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001172308611 808223495 /nfs/dbraw/zinc/22/34/95/808223495.db2.gz LLQLLPHMVXWBTN-MDZRGWNJSA-N 1 1 299.462 3.198 20 30 CGEDMO COC[C@@]12CCC[C@@H]1C[N@H+]([C@@H](C)Cc1ccc(C#N)cc1)C2 ZINC001172308199 808223516 /nfs/dbraw/zinc/22/35/16/808223516.db2.gz LPZOTVHYUCXJPA-IPELMVKDSA-N 1 1 298.430 3.238 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCc2c(O)cccc2C1 ZINC001172313752 808224038 /nfs/dbraw/zinc/22/40/38/808224038.db2.gz FLMYFKZTIFDCRY-AWEZNQCLSA-N 1 1 292.382 3.253 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001172313340 808224528 /nfs/dbraw/zinc/22/45/28/808224528.db2.gz VDXWMSFPTBCHQV-QLFBSQMISA-N 1 1 256.393 3.467 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@](C)(F)C1 ZINC001172314262 808224616 /nfs/dbraw/zinc/22/46/16/808224616.db2.gz IIIGKJGCCKYNBT-BBRMVZONSA-N 1 1 260.356 3.313 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)C(C)(C)C(=C)C)CC1 ZINC001266187190 808224859 /nfs/dbraw/zinc/22/48/59/808224859.db2.gz OUHLZAVITIPPHW-UHFFFAOYSA-N 1 1 298.858 3.264 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H](C#N)CC1 ZINC001172319562 808229139 /nfs/dbraw/zinc/22/91/39/808229139.db2.gz OSOVOJDFFQWPLV-HOCLYGCPSA-N 1 1 267.376 3.115 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)CC(CC)CC)C1 ZINC001266242521 808232059 /nfs/dbraw/zinc/23/20/59/808232059.db2.gz DCLXMQMBZFHNQR-MRXNPFEDSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(F)s2)C1 ZINC001266252679 808233777 /nfs/dbraw/zinc/23/37/77/808233777.db2.gz YHOMPZNYNBICNQ-LBPRGKRZSA-N 1 1 296.411 3.048 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001266341160 808244618 /nfs/dbraw/zinc/24/46/18/808244618.db2.gz BCFMYOWAORFKTM-HOCLYGCPSA-N 1 1 292.448 3.041 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCNC(=O)c1ccc(C2CC2)cc1 ZINC001266360103 808247855 /nfs/dbraw/zinc/24/78/55/808247855.db2.gz QZFZILHVMXDQSE-UHFFFAOYSA-N 1 1 286.419 3.192 20 30 CGEDMO CCCCCCC[C@@H](CC)[NH2+]CC(F)(F)CO ZINC001172351089 808247858 /nfs/dbraw/zinc/24/78/58/808247858.db2.gz SFBROUBMYQHRBI-GFCCVEGCSA-N 1 1 251.361 3.343 20 30 CGEDMO CCCCCCCCC(=O)N[C@H]1CC[N@H+](C(C)C)C1 ZINC001266352946 808248048 /nfs/dbraw/zinc/24/80/48/808248048.db2.gz LOANTCDAISONFA-HNNXBMFYSA-N 1 1 268.445 3.336 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+](C)CCN1CCN(C)CC1 ZINC001172354482 808251117 /nfs/dbraw/zinc/25/11/17/808251117.db2.gz HMICDQQIFVQFSS-SFHVURJKSA-N 1 1 297.531 3.305 20 30 CGEDMO CCCCCCC[C@H](CC)[N@@H+](C)CCN1CCN(C)CC1 ZINC001172354482 808251124 /nfs/dbraw/zinc/25/11/24/808251124.db2.gz HMICDQQIFVQFSS-SFHVURJKSA-N 1 1 297.531 3.305 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@@H+](C)CCC(=O)NC ZINC001172355465 808251392 /nfs/dbraw/zinc/25/13/92/808251392.db2.gz OUSVAFCQCRTYRV-CQSZACIVSA-N 1 1 256.434 3.193 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CC)CCNC(=O)c1sccc1C ZINC001266371933 808251898 /nfs/dbraw/zinc/25/18/98/808251898.db2.gz MMWGXMWWCGFTHW-CQSZACIVSA-N 1 1 294.464 3.463 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)C1(CCC)CCC1 ZINC001266476995 808271926 /nfs/dbraw/zinc/27/19/26/808271926.db2.gz GTHKJFJUJWRGED-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@](C)(CC)CCC ZINC001266488793 808276201 /nfs/dbraw/zinc/27/62/01/808276201.db2.gz PPXIHPOTILBPEQ-DOTOQJQBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@@H+](CCNC(=O)[C@H]1CCC(C)=C(C)C1)C1CC1 ZINC001266594772 808293201 /nfs/dbraw/zinc/29/32/01/808293201.db2.gz RMTZGKZJAITEDZ-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001266752663 808311675 /nfs/dbraw/zinc/31/16/75/808311675.db2.gz UPYKWFVYLQXJDD-QGZVFWFLSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](CC)CCC ZINC001266857570 808325253 /nfs/dbraw/zinc/32/52/53/808325253.db2.gz NGAJKOZZMXGAMW-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@H]1[C@H]1CCC[N@@H+]1CCC ZINC001266886954 808329997 /nfs/dbraw/zinc/32/99/97/808329997.db2.gz RWWPEOYJLCNGAL-CVEARBPZSA-N 1 1 278.440 3.208 20 30 CGEDMO COC(C[N@@H+](Cc1ccccc1)[C@@H](C)CCCC#N)OC ZINC001172494863 808353506 /nfs/dbraw/zinc/35/35/06/808353506.db2.gz YTHUQFOKLDDJLO-HNNXBMFYSA-N 1 1 290.407 3.190 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)[C@]2(C)C=CCC2)C1 ZINC001267109672 808360022 /nfs/dbraw/zinc/36/00/22/808360022.db2.gz XBFSFXSQQWGQCS-FUHWJXTLSA-N 1 1 290.451 3.232 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CC[C@@H](OCc2ccccc2)C1 ZINC001172507069 808361708 /nfs/dbraw/zinc/36/17/08/808361708.db2.gz OKXVIQPUUXZXCX-DOTOQJQBSA-N 1 1 272.392 3.360 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC[N@H+](C)CC1CC2(CCC2)C1 ZINC001267210138 808382595 /nfs/dbraw/zinc/38/25/95/808382595.db2.gz ATFUACVKYVCBAG-UHFFFAOYSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H](C)CCC ZINC001267259534 808398929 /nfs/dbraw/zinc/39/89/29/808398929.db2.gz COSNPPQEVSQBRJ-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001267280179 808402737 /nfs/dbraw/zinc/40/27/37/808402737.db2.gz BAEHOWMZFYUUGP-BRWVUGGUSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](CCCCC)C(C)C ZINC001267279428 808403136 /nfs/dbraw/zinc/40/31/36/808403136.db2.gz FHWOGYCUHOIPSW-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)[C@@H](C)C(C)(C)C ZINC001267315501 808412476 /nfs/dbraw/zinc/41/24/76/808412476.db2.gz LFNYWWGWSNBJNT-CQSZACIVSA-N 1 1 268.445 3.073 20 30 CGEDMO CC#CC[N@@H+](CCC)CCNC(=O)C[C@@H]1CCCC[C@H]1C ZINC001267320640 808413210 /nfs/dbraw/zinc/41/32/10/808413210.db2.gz QLAOULILYPMKBL-SJORKVTESA-N 1 1 292.467 3.054 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)[C@@H]1CC2CCC1CC2 ZINC001267320679 808413660 /nfs/dbraw/zinc/41/36/60/808413660.db2.gz RTTIJCRCGZBIML-OFLPRAFFSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)[C@@H](C)c1ccc(C)o1 ZINC001267318367 808413783 /nfs/dbraw/zinc/41/37/83/808413783.db2.gz WWZZHJVBBLAGSU-HNNXBMFYSA-N 1 1 292.423 3.096 20 30 CGEDMO C=CC[N@@H+](CCNC(=O)c1ccc(C2CCC2)cc1)C1CC1 ZINC001267325205 808415841 /nfs/dbraw/zinc/41/58/41/808415841.db2.gz ABTSZRYBEUCCLZ-UHFFFAOYSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(C)CC[N@H+](CCNC(=O)[C@@H]1CCC[C@H](C)C1)C1CC1 ZINC001267331453 808417102 /nfs/dbraw/zinc/41/71/02/808417102.db2.gz HPXDMFFFRSFSOJ-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC/C=C/CC ZINC001267417773 808425059 /nfs/dbraw/zinc/42/50/59/808425059.db2.gz MLTUXCXINKERRG-COAGQGPPSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C(C)CCC(=O)N(CCC)[C@H]1CC[N@@H+](CC[C@@H](C)F)C1 ZINC001267542516 808442225 /nfs/dbraw/zinc/44/22/25/808442225.db2.gz YIUGRODEJGAOSY-CVEARBPZSA-N 1 1 298.446 3.404 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(CCC)C(=O)c2ccoc2)C1 ZINC001267540409 808443080 /nfs/dbraw/zinc/44/30/80/808443080.db2.gz VKBZMRSTAYVUIX-INIZCTEOSA-N 1 1 290.407 3.172 20 30 CGEDMO C=CCCCC[N@H+](C)[C@H]1CCC[C@H](C(=O)OC)CC1 ZINC001172806646 808443626 /nfs/dbraw/zinc/44/36/26/808443626.db2.gz JISZHHPRCAHNDQ-GJZGRUSLSA-N 1 1 267.413 3.396 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H](CCC)C(C)C)C1 ZINC001267575057 808449117 /nfs/dbraw/zinc/44/91/17/808449117.db2.gz AZNRUDMZPQHWKV-IRXDYDNUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)/C=C\C(C)(C)C)C1 ZINC001267580510 808452133 /nfs/dbraw/zinc/45/21/33/808452133.db2.gz XUHOTDJJIJINPZ-QPBFKRLHSA-N 1 1 298.858 3.122 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[C@H](C[N@H+](C)CC(=C)C)C1 ZINC001267583195 808453209 /nfs/dbraw/zinc/45/32/09/808453209.db2.gz OFUMXXBXZQTDAF-MRXNPFEDSA-N 1 1 290.451 3.111 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C)CCC)C1 ZINC001267623834 808460483 /nfs/dbraw/zinc/46/04/83/808460483.db2.gz YSUOFWFNIXXLJB-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCCCC[NH+]1CC(NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001267658699 808465516 /nfs/dbraw/zinc/46/55/16/808465516.db2.gz JBQCGACVNVXTPH-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)C(C)(C)CCCCC)C1 ZINC001267668875 808467954 /nfs/dbraw/zinc/46/79/54/808467954.db2.gz CGEBPULBNUSQOB-UHFFFAOYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@@H](C[N@H+](C)CC[C@H](C)F)C1 ZINC001267690018 808470826 /nfs/dbraw/zinc/47/08/26/808470826.db2.gz KRHACWGMSCLCCU-GJZGRUSLSA-N 1 1 298.446 3.117 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCCCC(C)C ZINC001267713230 808475404 /nfs/dbraw/zinc/47/54/04/808475404.db2.gz LAARSQBBTXIYCL-IRXDYDNUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccc(F)s2)C1 ZINC001267753788 808483689 /nfs/dbraw/zinc/48/36/89/808483689.db2.gz MWYMQWWVMBRHGN-NWDGAFQWSA-N 1 1 296.411 3.046 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)CC(C)C)C1 ZINC001267778225 808489782 /nfs/dbraw/zinc/48/97/82/808489782.db2.gz YAYGXVNYWJUBAA-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)C[C@H](C)CC(C)C)C1 ZINC001267790667 808494213 /nfs/dbraw/zinc/49/42/13/808494213.db2.gz RKFHXURLEVRMQG-SJORKVTESA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H](NC(=O)C2CCCCC2)C1 ZINC001267901405 808513112 /nfs/dbraw/zinc/51/31/12/808513112.db2.gz BLSIEPSHULZPQG-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](F)CC)CC2 ZINC001267974164 808522832 /nfs/dbraw/zinc/52/28/32/808522832.db2.gz OJNZBGJOECBREI-HNNXBMFYSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173235427 808544529 /nfs/dbraw/zinc/54/45/29/808544529.db2.gz WUFHRSUREVQJJD-ZDUSSCGKSA-N 1 1 262.353 3.424 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)CC(C)(C)C ZINC001268230292 808561707 /nfs/dbraw/zinc/56/17/07/808561707.db2.gz IGMQKFGYQXYVOP-CQSZACIVSA-N 1 1 268.445 3.168 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)c1cc(C)cs1 ZINC001268235599 808565423 /nfs/dbraw/zinc/56/54/23/808565423.db2.gz KXFUTRIVTAQNDP-CQSZACIVSA-N 1 1 294.464 3.415 20 30 CGEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@](C)(CC)CCCCC)C1 ZINC001268236888 808566269 /nfs/dbraw/zinc/56/62/69/808566269.db2.gz SPBCIAKBXAGVTN-FUHWJXTLSA-N 1 1 292.467 3.197 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@](C)(CC)CCCCC)C1 ZINC001268236888 808566272 /nfs/dbraw/zinc/56/62/72/808566272.db2.gz SPBCIAKBXAGVTN-FUHWJXTLSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CC=C(C)C)C1 ZINC001268260951 808571365 /nfs/dbraw/zinc/57/13/65/808571365.db2.gz AJMLIXXOROSALM-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CC=C(C)C)C1 ZINC001268260953 808571718 /nfs/dbraw/zinc/57/17/18/808571718.db2.gz AJMLIXXOROSALM-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO CCCCCCCC[C@@H](CCC)[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC001173309698 808606469 /nfs/dbraw/zinc/60/64/69/808606469.db2.gz JSAPXVPIVGQTSB-HZPDHXFCSA-N 1 1 298.471 3.092 20 30 CGEDMO C=CCOC1CCC([NH2+]C2CCN(C3CCC3)CC2)CC1 ZINC001173314576 808607844 /nfs/dbraw/zinc/60/78/44/808607844.db2.gz UDOKLKMTBYTTJF-UHFFFAOYSA-N 1 1 292.467 3.107 20 30 CGEDMO C=CCOC1CCC([N@@H+]2CCC(F)(F)[C@H](C)C2)CC1 ZINC001173320196 808610947 /nfs/dbraw/zinc/61/09/47/808610947.db2.gz DEYQUABPBSZKOC-IYXRBSQSSA-N 1 1 273.367 3.477 20 30 CGEDMO CN1CC[N@@H+](C2CCC(CC#N)CC2)[C@@H](c2ccccc2)C1 ZINC001173331467 808615807 /nfs/dbraw/zinc/61/58/07/808615807.db2.gz DTVAZVQFILRXCB-NKELODKYSA-N 1 1 297.446 3.448 20 30 CGEDMO CN1CC[N@H+](C2CCC(CC#N)CC2)C[C@@H]1c1ccccc1 ZINC001173335491 808617498 /nfs/dbraw/zinc/61/74/98/808617498.db2.gz OEKIRSGRIAXIFT-NKELODKYSA-N 1 1 297.446 3.448 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)c1ccccc1C(C)C ZINC001268731913 808617598 /nfs/dbraw/zinc/61/75/98/808617598.db2.gz CMHPFJKWIRLBGP-HNNXBMFYSA-N 1 1 288.435 3.436 20 30 CGEDMO N#CCC1CCC([N@H+]2CC[C@@H](c3cccnc3)C2)CC1 ZINC001173338303 808618766 /nfs/dbraw/zinc/61/87/66/808618766.db2.gz CSGDIYBXAATIFK-ARWYELJZSA-N 1 1 269.392 3.343 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2C1CCCC1 ZINC001268984969 808640601 /nfs/dbraw/zinc/64/06/01/808640601.db2.gz BAKMDUFVODRAGA-HOTGVXAUSA-N 1 1 290.451 3.207 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)c2csc(Cl)c2)C1 ZINC001269069520 808645792 /nfs/dbraw/zinc/64/57/92/808645792.db2.gz QAYQKAATAIGOGU-LBPRGKRZSA-N 1 1 298.839 3.172 20 30 CGEDMO C[N@@H+](CCOc1ccccc1)C1CCC(C)(C#N)CC1 ZINC001173596159 808650322 /nfs/dbraw/zinc/65/03/22/808650322.db2.gz LVMUQWJQLRNTLB-UHFFFAOYSA-N 1 1 272.392 3.470 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@H](NC(=O)C2(C3CC3)CC2)C1 ZINC001269138205 808650439 /nfs/dbraw/zinc/65/04/39/808650439.db2.gz BLGAAPPLQNVWDE-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@H]1CNC(=O)c1cccs1 ZINC001269194335 808653319 /nfs/dbraw/zinc/65/33/19/808653319.db2.gz GYIXUJJRXSTWSK-AWEZNQCLSA-N 1 1 292.448 3.299 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)C=C1CCCCC1 ZINC001269204079 808654957 /nfs/dbraw/zinc/65/49/57/808654957.db2.gz AIBBHQMFIPIFAM-WBVHZDCISA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC001269215220 808656009 /nfs/dbraw/zinc/65/60/09/808656009.db2.gz NUVOWMHRKLBOBT-ZIAGYGMSSA-N 1 1 292.467 3.214 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](N(C)C(=O)c2ccoc2)C1 ZINC001269208988 808656171 /nfs/dbraw/zinc/65/61/71/808656171.db2.gz RSTQLUJCEGIXAK-INIZCTEOSA-N 1 1 292.423 3.396 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C)cs2)C1 ZINC001269233901 808658897 /nfs/dbraw/zinc/65/88/97/808658897.db2.gz MJYHYJDVTJIQBY-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)C2(C)CCCC2)C1 ZINC001269262236 808661793 /nfs/dbraw/zinc/66/17/93/808661793.db2.gz FXHQMHXMWDBJIN-HOTGVXAUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](N(CC)C(=O)CC2CCC2)C1 ZINC001269319088 808669547 /nfs/dbraw/zinc/66/95/47/808669547.db2.gz TZPYCYHUCPVDFS-RDJZCZTQSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)CC1CCC(C)(C)CC1 ZINC001269357038 808673467 /nfs/dbraw/zinc/67/34/67/808673467.db2.gz XEMFEQKENDTMCN-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@H](C)CC ZINC001269655097 808694953 /nfs/dbraw/zinc/69/49/53/808694953.db2.gz LGOSUDUXBNGDMM-OAGGEKHMSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(=C)C ZINC001269670846 808696100 /nfs/dbraw/zinc/69/61/00/808696100.db2.gz OFJNMFBSRZXGGA-ZACQAIPSSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)CCCCC)C2)C1 ZINC001269720923 808701040 /nfs/dbraw/zinc/70/10/40/808701040.db2.gz ZVRVWHNJMDSFEZ-GOSISDBHSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@]2(CCN(C(=O)C3(C)CC3)C2)C1 ZINC001269732296 808702795 /nfs/dbraw/zinc/70/27/95/808702795.db2.gz QPYTYZSUCMWGSS-QAPCUYQASA-N 1 1 290.451 3.066 20 30 CGEDMO CCCCCCC[NH+]1CC(N(C)C(=O)[C@]23C[C@H]2CCC3)C1 ZINC001269825988 808706090 /nfs/dbraw/zinc/70/60/90/808706090.db2.gz PHTCAPGFHBCWDB-CRAIPNDOSA-N 1 1 292.467 3.290 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](C)SC)C1 ZINC001270548740 808735580 /nfs/dbraw/zinc/73/55/80/808735580.db2.gz LRRRNNWBPRRKTO-GDBMZVCRSA-N 1 1 298.496 3.065 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)C[C@@H](C)C2CCCCC2)C1 ZINC001270642786 808741752 /nfs/dbraw/zinc/74/17/52/808741752.db2.gz OGMNMVPZVBURLT-QAPCUYQASA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@]1(C)CCC[N@@H+](CC(=C)C)C1 ZINC001270965595 808756659 /nfs/dbraw/zinc/75/66/59/808756659.db2.gz LOKOCVKYRNYVSX-QGZVFWFLSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)c1oc(C)cc1C ZINC001271991027 808792336 /nfs/dbraw/zinc/79/23/36/808792336.db2.gz WSJONKPQGCEHNZ-AWEZNQCLSA-N 1 1 292.423 3.255 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)c1cc(F)ccc1C ZINC001272074888 808796317 /nfs/dbraw/zinc/79/63/17/808796317.db2.gz GCIKUFCASAHQEO-UHFFFAOYSA-N 1 1 292.398 3.104 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@H](C)C(C)C ZINC001272125613 808797483 /nfs/dbraw/zinc/79/74/83/808797483.db2.gz KEWFNCHLQSBWFR-HUUCEWRRSA-N 1 1 268.445 3.023 20 30 CGEDMO C=C(C)CN1CC[C@@]2(CCC[N@H+]2CCC(C)(C)C)C1=O ZINC001272496093 808813067 /nfs/dbraw/zinc/81/30/67/808813067.db2.gz UYDPMLDLHFOYNH-KRWDZBQOSA-N 1 1 278.440 3.066 20 30 CGEDMO N#Cc1ccsc1Nc1cc[nH+]c2ccccc12 ZINC001174037375 808833910 /nfs/dbraw/zinc/83/39/10/808833910.db2.gz RBPVAQSCRDSDSP-UHFFFAOYSA-N 1 1 251.314 3.333 20 30 CGEDMO C=C(C)CN1CC[C@@]2(CCC[N@H+]2CCC2CCCC2)C1=O ZINC001273166732 808836183 /nfs/dbraw/zinc/83/61/83/808836183.db2.gz MHADNLZDQQNXFR-SFHVURJKSA-N 1 1 290.451 3.210 20 30 CGEDMO COc1cc(C#N)c(F)cc1Nc1cc[nH+]c2ccccc12 ZINC001174038632 808836563 /nfs/dbraw/zinc/83/65/63/808836563.db2.gz DWAVPLCXPBBPJF-UHFFFAOYSA-N 1 1 293.301 3.420 20 30 CGEDMO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2CCC1CCCC1 ZINC001273165970 808837051 /nfs/dbraw/zinc/83/70/51/808837051.db2.gz GZYXPJBAPCUIGA-SFHVURJKSA-N 1 1 290.451 3.210 20 30 CGEDMO COc1ccc(C#N)cc1Nc1cc[nH+]c2ccccc12 ZINC001174039936 808838125 /nfs/dbraw/zinc/83/81/25/808838125.db2.gz IZHBSZNLEQSZOU-UHFFFAOYSA-N 1 1 275.311 3.281 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)CCC(=C)C)CC1 ZINC001273418436 808843321 /nfs/dbraw/zinc/84/33/21/808843321.db2.gz NZSOCQHQVHSRAR-MRXNPFEDSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCN1c2ccccc2[C@]2(CC[N@H+](CC(C)(C)C)C2)C1=O ZINC001273532573 808852383 /nfs/dbraw/zinc/85/23/83/808852383.db2.gz MHNVAUHQHBTJIA-LJQANCHMSA-N 1 1 298.430 3.209 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)[C@H]1CCCC[C@H]1C ZINC001273554297 808853507 /nfs/dbraw/zinc/85/35/07/808853507.db2.gz RWKXACJFUMUKAO-CVEARBPZSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@](C)(C=C)CC)C(C)(C)C1 ZINC001274446623 808876401 /nfs/dbraw/zinc/87/64/01/808876401.db2.gz RNNUCBVOQRNAPH-QAPCUYQASA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](CCC(=C)C)[C@@H](C)C1 ZINC001274626574 808879551 /nfs/dbraw/zinc/87/95/51/808879551.db2.gz ZIMXEJSYDZVSLS-HOTGVXAUSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)C2CC2)C[C@H]1C ZINC001274623344 808879685 /nfs/dbraw/zinc/87/96/85/808879685.db2.gz LFDVMQPFNXOMIS-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C#CCCCCC(=O)N1CCC[C@@H]1C[N@@H+](C)CC=C(C)C ZINC001275099849 808908163 /nfs/dbraw/zinc/90/81/63/808908163.db2.gz AFVXXQFEJPDZNW-QGZVFWFLSA-N 1 1 290.451 3.069 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]1C[N@@H+](C)CCC(=C)C ZINC001275114934 808911371 /nfs/dbraw/zinc/91/13/71/808911371.db2.gz LOQLLWTZRZRKSN-MRXNPFEDSA-N 1 1 278.440 3.232 20 30 CGEDMO C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)CCCC[C@H](C)CC ZINC001275114982 808911605 /nfs/dbraw/zinc/91/16/05/808911605.db2.gz MNNGADARFQQFNY-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)C1(C)CCCC1 ZINC001275128097 808912925 /nfs/dbraw/zinc/91/29/25/808912925.db2.gz DLWWJLBWWZGCAN-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC1(C)C ZINC001275135579 808913809 /nfs/dbraw/zinc/91/38/09/808913809.db2.gz KUYZCDGKOZOPFX-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(C)c(F)c1 ZINC001275601021 808951477 /nfs/dbraw/zinc/95/14/77/808951477.db2.gz XDSHCWAZDZOUOQ-CQSZACIVSA-N 1 1 292.398 3.150 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)c1occc1C(C)C ZINC001275630897 808952599 /nfs/dbraw/zinc/95/25/99/808952599.db2.gz XMKDQDWVZFDDRQ-AWEZNQCLSA-N 1 1 292.423 3.419 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)C1CC1 ZINC001275905272 808975835 /nfs/dbraw/zinc/97/58/35/808975835.db2.gz WXSOCFQXJYLPPC-ZIAGYGMSSA-N 1 1 280.456 3.214 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC1(C)C ZINC001275904675 808976059 /nfs/dbraw/zinc/97/60/59/808976059.db2.gz MQUQYUDRFXYWFL-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC2CCC1CC2 ZINC001276012458 808984993 /nfs/dbraw/zinc/98/49/93/808984993.db2.gz PUQXJOMODCAMSV-OTBWCIGPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCCCCCCCC[N@H+]1C[C@H]2CN(C)C[C@@H](C1)O2 ZINC001276435744 809008688 /nfs/dbraw/zinc/00/86/88/809008688.db2.gz LUDDVZANHBFAEP-HDICACEKSA-N 1 1 294.483 3.308 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCCC)C(C)(C)C1 ZINC001276555610 809017492 /nfs/dbraw/zinc/01/74/92/809017492.db2.gz RJIMUVCDZYDZJW-HUUCEWRRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)CC)C(C)(C)C1 ZINC001276578440 809018178 /nfs/dbraw/zinc/01/81/78/809018178.db2.gz HHSDPTXJOJRJTP-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CCC(C)C)CC1(C)C ZINC001276608504 809019829 /nfs/dbraw/zinc/01/98/29/809019829.db2.gz QVDQBRUPZFFJQP-QAPCUYQASA-N 1 1 294.483 3.461 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H]1C[N@@H+](CCC(=C)C)CC1(C)C ZINC001276606851 809020371 /nfs/dbraw/zinc/02/03/71/809020371.db2.gz BQVFLYCGGYJRHV-MAUKXSAKSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@](C)(CC)CCC)[C@@H]2C1 ZINC001276725006 809026105 /nfs/dbraw/zinc/02/61/05/809026105.db2.gz DGHVCFLSTBVBDM-CUSZFKRNSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC1(C(=O)N2CC3(C2)CCC[N@H+](C(C)C)C3)CCC1 ZINC001276876920 809039240 /nfs/dbraw/zinc/03/92/40/809039240.db2.gz FGDVPNUJQCOXBZ-UHFFFAOYSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)C1CC2(CCC2)C1 ZINC001276909174 809043726 /nfs/dbraw/zinc/04/37/26/809043726.db2.gz OHOLOAHZCSTEJK-GOEBONIOSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCCCCCC[N@@H+]1CC[C@]2(CCC[C@H]2C(N)=O)C1 ZINC001277152785 809060607 /nfs/dbraw/zinc/06/06/07/809060607.db2.gz OZFLCSFWXWCKBT-DOTOQJQBSA-N 1 1 278.440 3.100 20 30 CGEDMO C=C(C)CC[N@H+](C)C1CCN(C(=O)/C(C)=C/CC)CC1 ZINC001277384605 809072880 /nfs/dbraw/zinc/07/28/80/809072880.db2.gz BNTVBNYJHIOXAH-VIZOYTHASA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)[C@H]2CC[C@H](F)C2)CC1 ZINC001277423663 809074823 /nfs/dbraw/zinc/07/48/23/809074823.db2.gz SNSHEJABRIBNMG-GJZGRUSLSA-N 1 1 296.430 3.014 20 30 CGEDMO C#CCC[N@H+](C)C1CCN(C(=O)C(CC)(CC)CC)CC1 ZINC001277436029 809075338 /nfs/dbraw/zinc/07/53/38/809075338.db2.gz YNSIKJWRPAMEGX-UHFFFAOYSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCCC(=O)N1CC[C@@]2(CC[N@H+](C/C=C/Cl)C2)C1 ZINC001277530806 809078579 /nfs/dbraw/zinc/07/85/79/809078579.db2.gz GRMVMSLNYYWZHG-DXWDOBMASA-N 1 1 296.842 3.020 20 30 CGEDMO CCCC[C@H](CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2CCC#N ZINC001277936238 809107569 /nfs/dbraw/zinc/10/75/69/809107569.db2.gz BZTZXFCNZUJPNN-YESZJQIVSA-N 1 1 277.456 3.265 20 30 CGEDMO N#CCCCCN1CCC[C@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001277947928 809108484 /nfs/dbraw/zinc/10/84/84/809108484.db2.gz AQSCZKQBVMGMPU-SFHVURJKSA-N 1 1 289.467 3.411 20 30 CGEDMO N#CCCCCN1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001277947928 809108487 /nfs/dbraw/zinc/10/84/87/809108487.db2.gz AQSCZKQBVMGMPU-SFHVURJKSA-N 1 1 289.467 3.411 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](C)CC)C1 ZINC001278364327 809128745 /nfs/dbraw/zinc/12/87/45/809128745.db2.gz VHANYFNCDONWHK-DOTOQJQBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C2(C)CC(=C)C2)[C@H]1C ZINC001278521444 809140342 /nfs/dbraw/zinc/14/03/42/809140342.db2.gz NUTQKWIZKDAZAC-CVEARBPZSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@@H](CCc1ccccc1)C(=O)OCC ZINC001174742701 809149751 /nfs/dbraw/zinc/14/97/51/809149751.db2.gz QTTPKERENDXQJO-INIZCTEOSA-N 1 1 275.392 3.059 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](CCc1ccccc1)C(=O)OCC ZINC001174742701 809149753 /nfs/dbraw/zinc/14/97/53/809149753.db2.gz QTTPKERENDXQJO-INIZCTEOSA-N 1 1 275.392 3.059 20 30 CGEDMO C#CCCCCCC(=O)N[C@@H]1CCC[N@H+](CCC=C)CC1 ZINC001280745114 809195662 /nfs/dbraw/zinc/19/56/62/809195662.db2.gz RAKCKJFCSMJNIA-QGZVFWFLSA-N 1 1 290.451 3.117 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)/C=C(/C)C2CC2)CC1 ZINC001280709622 809196533 /nfs/dbraw/zinc/19/65/33/809196533.db2.gz OSLXYMDXBRZSHB-KUGGDMIFSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@H](C)C1CCCC1 ZINC001280872579 809203192 /nfs/dbraw/zinc/20/31/92/809203192.db2.gz GVCGHKYGCNKSEZ-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CCC(=C)C ZINC001281062418 809206291 /nfs/dbraw/zinc/20/62/91/809206291.db2.gz GTANPGRGRVIVHZ-GOSISDBHSA-N 1 1 298.430 3.072 20 30 CGEDMO C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)CCC(=C)C ZINC001281062418 809206296 /nfs/dbraw/zinc/20/62/96/809206296.db2.gz GTANPGRGRVIVHZ-GOSISDBHSA-N 1 1 298.430 3.072 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC)C2 ZINC001281069331 809206500 /nfs/dbraw/zinc/20/65/00/809206500.db2.gz AABVGHLUADETOV-WBVHZDCISA-N 1 1 278.440 3.066 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)CC)C[C@H]1C ZINC001281644580 809215473 /nfs/dbraw/zinc/21/54/73/809215473.db2.gz LVAGKAKWCYRIND-CABCVRRESA-N 1 1 268.445 3.336 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)CC)C(C)(C)C1 ZINC001281555187 809215618 /nfs/dbraw/zinc/21/56/18/809215618.db2.gz FRYZOTRSPQYNDZ-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC1CCN(C(=O)[C@H](F)C(C)C)CC1 ZINC001281834136 809221553 /nfs/dbraw/zinc/22/15/53/809221553.db2.gz VFZHXCFZAHWVPF-MRXNPFEDSA-N 1 1 298.446 3.117 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)c1cc(C)co1 ZINC001281953574 809225086 /nfs/dbraw/zinc/22/50/86/809225086.db2.gz YPVYDSRITHUNGI-HNNXBMFYSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1CCC ZINC001281956730 809226168 /nfs/dbraw/zinc/22/61/68/809226168.db2.gz KEUGZRFIYXZPNQ-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC1(C(=O)N2CCC[C@@H]2C[N@H+](C)CC(C)C)CCC1 ZINC001281957630 809226858 /nfs/dbraw/zinc/22/68/58/809226858.db2.gz SFXHCNMDZVVGBL-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)c1cscc1C ZINC001282368044 809245448 /nfs/dbraw/zinc/24/54/48/809245448.db2.gz ULXRLORGMRDMLC-ZDUSSCGKSA-N 1 1 280.437 3.073 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)c1cc[nH]c1C(C)C ZINC001282452265 809248373 /nfs/dbraw/zinc/24/83/73/809248373.db2.gz VZALPFCWZVESQV-CQSZACIVSA-N 1 1 291.439 3.154 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)c1cc(F)ccc1Cl ZINC001282468369 809249289 /nfs/dbraw/zinc/24/92/89/809249289.db2.gz LSTNAULZQHGCKV-NSHDSACASA-N 1 1 298.789 3.105 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)c1cccc(C)c1 ZINC001282468921 809250215 /nfs/dbraw/zinc/25/02/15/809250215.db2.gz NTWNJEYEYGOHRU-HOTGVXAUSA-N 1 1 288.435 3.111 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)[C@@H](CC)CC(C)C)C(C)(C)C1 ZINC001282833387 809264914 /nfs/dbraw/zinc/26/49/14/809264914.db2.gz NPRSBEJNXXRUJB-GJZGRUSLSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC([N@@H+](C)CC2CCC2)CC1 ZINC001283310927 809275910 /nfs/dbraw/zinc/27/59/10/809275910.db2.gz PCRAHVUQTBIJJH-UHFFFAOYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)CCC(C)C)CCC[C@@H]12 ZINC001284033556 809294140 /nfs/dbraw/zinc/29/41/40/809294140.db2.gz XRVOWNBMNIOLCG-GDBMZVCRSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)CCC(C)C)CCC[C@@H]12 ZINC001284033556 809294145 /nfs/dbraw/zinc/29/41/45/809294145.db2.gz XRVOWNBMNIOLCG-GDBMZVCRSA-N 1 1 298.858 3.288 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)/C=C(/C)C2CC2)[C@@H]1C ZINC001284121011 809296775 /nfs/dbraw/zinc/29/67/75/809296775.db2.gz OSDVZKZTOKAPJZ-FSJYHFJDSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)CCC)[C@@H]1C ZINC001284133094 809298336 /nfs/dbraw/zinc/29/83/36/809298336.db2.gz UGRQZNPQDBUAFH-GJZGRUSLSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)[C@H]1CC[C@H](C)C1)C(C)C ZINC001284544807 809307534 /nfs/dbraw/zinc/30/75/34/809307534.db2.gz PKKAXGXFDOMZPK-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21)C(C)C ZINC001284535851 809307566 /nfs/dbraw/zinc/30/75/66/809307566.db2.gz AOHGSAFDZJNIGL-ZACQAIPSSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)[C@@H]1C[C@@]1(C)C(C)C)C(C)C ZINC001284552967 809309985 /nfs/dbraw/zinc/30/99/85/809309985.db2.gz BLMWTAWXQWBKDM-WMZOPIPTSA-N 1 1 294.483 3.414 20 30 CGEDMO CCCCCCCC[N@H+]1C[C@H](C)[C@@](C)(C(=O)OC)C1 ZINC001175293000 809341281 /nfs/dbraw/zinc/34/12/81/809341281.db2.gz SWQJEIOMTUDBNM-HOCLYGCPSA-N 1 1 269.429 3.478 20 30 CGEDMO C=C(CC(C)C)C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC001298764467 809539127 /nfs/dbraw/zinc/53/91/27/809539127.db2.gz ZOFCPDGELKLSAA-MRXNPFEDSA-N 1 1 288.435 3.225 20 30 CGEDMO C=CCC[C@@H]1CCC[N@H+]1Cc1nnc(C2CC2)s1 ZINC001176771615 809759497 /nfs/dbraw/zinc/75/94/97/809759497.db2.gz OBDDWSUXGIDFIY-GFCCVEGCSA-N 1 1 263.410 3.346 20 30 CGEDMO C=CCC[C@@H]1CCC[N@H+]1C[C@@H]1CCC[C@]2(CCOC2)O1 ZINC001176771250 809759833 /nfs/dbraw/zinc/75/98/33/809759833.db2.gz JDQKUQMAVKTROE-IXDOHACOSA-N 1 1 279.424 3.145 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCCC[C@]23CCCOC3)CC1 ZINC001177015898 809774804 /nfs/dbraw/zinc/77/48/04/809774804.db2.gz RVCSTEQPRGBPIY-OFLPRAFFSA-N 1 1 276.424 3.351 20 30 CGEDMO N#CCC[N@@H+](CC1CC1)CC1(c2ccc3c(c2)OCO3)CC1 ZINC001180030487 809968942 /nfs/dbraw/zinc/96/89/42/809968942.db2.gz NFHTZUOIVNNYFV-UHFFFAOYSA-N 1 1 298.386 3.073 20 30 CGEDMO C=CCC[N@H+](C)CC(C)(C)c1ccc(OC)c(OC)c1 ZINC001180906548 810026658 /nfs/dbraw/zinc/02/66/58/810026658.db2.gz NBYLPZGCKSUOEB-UHFFFAOYSA-N 1 1 277.408 3.489 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)Cc1ccc(=O)[nH]c1 ZINC001181410940 810050669 /nfs/dbraw/zinc/05/06/69/810050669.db2.gz UNVDJLRWSUPVRK-UHFFFAOYSA-N 1 1 268.360 3.366 20 30 CGEDMO C=CCC[C@H]([NH2+][C@@H]1CC[C@H](C)C[C@@H]1C)C(=O)OCC ZINC001181827637 810075084 /nfs/dbraw/zinc/07/50/84/810075084.db2.gz NAFARVGNJZXFKN-XQLPTFJDSA-N 1 1 267.413 3.299 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC001182543733 810114095 /nfs/dbraw/zinc/11/40/95/810114095.db2.gz MNJLHLOGPGNSDL-OAHLLOKOSA-N 1 1 253.389 3.411 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cccn2C(F)F)C1 ZINC001182855230 810127696 /nfs/dbraw/zinc/12/76/96/810127696.db2.gz OIONSROTEIWASP-NSHDSACASA-N 1 1 253.296 3.009 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2cccn2C(F)F)C1 ZINC001182855230 810127699 /nfs/dbraw/zinc/12/76/99/810127699.db2.gz OIONSROTEIWASP-NSHDSACASA-N 1 1 253.296 3.009 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]21 ZINC001187240406 810390630 /nfs/dbraw/zinc/39/06/30/810390630.db2.gz SWGGLCYYCYCLNG-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(F)F)C1 ZINC001188618693 810493829 /nfs/dbraw/zinc/49/38/29/810493829.db2.gz MVUZLSQLWVBLAX-ZDUSSCGKSA-N 1 1 290.398 3.145 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccco2)C1 ZINC001188643993 810498403 /nfs/dbraw/zinc/49/84/03/810498403.db2.gz ZNHAJYCTBSOILQ-OAHLLOKOSA-N 1 1 290.407 3.172 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(C)s2)C1 ZINC001188651640 810498699 /nfs/dbraw/zinc/49/86/99/810498699.db2.gz ITYLEEAOSYTBRX-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CC2CCCC2)C1 ZINC001188703510 810505206 /nfs/dbraw/zinc/50/52/06/810505206.db2.gz YTZWQVDHCPYSMP-DOTOQJQBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)c2cc(C)oc2C)C1 ZINC001188845990 810518316 /nfs/dbraw/zinc/51/83/16/810518316.db2.gz QDWCASBRXDLCTI-OAHLLOKOSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)c2occc2C)C1 ZINC001188863599 810520129 /nfs/dbraw/zinc/52/01/29/810520129.db2.gz UGIZRUJSAVDNMW-HUUCEWRRSA-N 1 1 290.407 3.089 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)CCCCC)C1 ZINC001188887487 810521935 /nfs/dbraw/zinc/52/19/35/810521935.db2.gz REFGEUQJDMKTSJ-HNNXBMFYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CCC)C(C)C)[C@@H]2C1 ZINC001189292518 810555769 /nfs/dbraw/zinc/55/57/69/810555769.db2.gz JUQXDUPOROHUIN-GVDBMIGSSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)c2ccccc2)C1 ZINC001189318338 810557188 /nfs/dbraw/zinc/55/71/88/810557188.db2.gz JUWKQZAYWBFRLB-DOTOQJQBSA-N 1 1 286.419 3.247 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)CCC=C)C1 ZINC001189318751 810557235 /nfs/dbraw/zinc/55/72/35/810557235.db2.gz OPRXQPDUFLJTCC-MRXNPFEDSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)CCC)[C@@H]2C1 ZINC001189544287 810576268 /nfs/dbraw/zinc/57/62/68/810576268.db2.gz OADXHSNAVNHROS-IXDOHACOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)C2CC(C)C2)C1 ZINC001189604217 810581634 /nfs/dbraw/zinc/58/16/34/810581634.db2.gz QRNPXSHSQOQCIJ-JCYILVPMSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)C(=C)Cl)C1 ZINC001190355147 810624349 /nfs/dbraw/zinc/62/43/49/810624349.db2.gz UPVZFEVBQGOOEX-AWEZNQCLSA-N 1 1 298.858 3.264 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CC(C)(C)C=C)C1 ZINC001190398164 810626131 /nfs/dbraw/zinc/62/61/31/810626131.db2.gz RABJEWWTOCINCB-JKSUJKDBSA-N 1 1 292.467 3.476 20 30 CGEDMO C=CC[N@H+](C/C=C/C(=O)OCC)CC1CCCCC1 ZINC001190983256 810661101 /nfs/dbraw/zinc/66/11/01/810661101.db2.gz ANLODKZXYNTUED-DHZHZOJOSA-N 1 1 265.397 3.174 20 30 CGEDMO CCCCCCCCNC(=O)N[C@H]1CC[N@H+](C(C)C)C1 ZINC001191074371 810671166 /nfs/dbraw/zinc/67/11/66/810671166.db2.gz WGPZDMDRVWOCCF-HNNXBMFYSA-N 1 1 283.460 3.129 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2cc(C#N)ccn2)[C@H]1c1ccccc1 ZINC001191400404 810710191 /nfs/dbraw/zinc/71/01/91/810710191.db2.gz OYTQHLRMAKZIQJ-CXAGYDPISA-N 1 1 263.344 3.146 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccn2)[C@H]1c1ccccc1 ZINC001191400404 810710194 /nfs/dbraw/zinc/71/01/94/810710194.db2.gz OYTQHLRMAKZIQJ-CXAGYDPISA-N 1 1 263.344 3.146 20 30 CGEDMO CCO[C@@H]1C[C@H]([N@@H+](C)CCc2ccc(C#N)cc2)C12CCC2 ZINC001191549520 810724274 /nfs/dbraw/zinc/72/42/74/810724274.db2.gz COVQYAKIYVBWDV-ZWKOTPCHSA-N 1 1 298.430 3.380 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)CC(=C)C)C1 ZINC001191913274 810755506 /nfs/dbraw/zinc/75/55/06/810755506.db2.gz VKYLUMVZVDMVJI-HZPDHXFCSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@H]([N@H+](C)CCCCC)C1 ZINC001192162280 810772533 /nfs/dbraw/zinc/77/25/33/810772533.db2.gz NRZKKUVHEUFVFZ-RDJZCZTQSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)C2(CC)CC2)C1 ZINC001192189344 810773461 /nfs/dbraw/zinc/77/34/61/810773461.db2.gz DLBRLGNXSBZWMQ-CABCVRRESA-N 1 1 278.440 3.064 20 30 CGEDMO C=C1CCC(C(=O)N2CC[C@@H]([N@@H+](C)C/C=C/Cl)C2)CC1 ZINC001192181981 810774313 /nfs/dbraw/zinc/77/43/13/810774313.db2.gz ZYKKBZIBAJGMDN-RUGXIKGKSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@H]([N@H+](C)CC[C@H](C)F)C2)CCC1 ZINC001192225738 810777042 /nfs/dbraw/zinc/77/70/42/810777042.db2.gz BJNCWTUTUMEQES-GJZGRUSLSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@H]([N@@H+](C)C/C=C/Cl)C2)CCC1 ZINC001192226618 810778412 /nfs/dbraw/zinc/77/84/12/810778412.db2.gz KRYZBDWDTYSWSF-SEIPJRMCSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)C2(C(C)C)CC2)C1 ZINC001192226583 810778785 /nfs/dbraw/zinc/77/87/85/810778785.db2.gz KITJPPJERVNBNW-HOTGVXAUSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC[C@H]([N@H+](C)CC/C=C/CC)C2)C1 ZINC001192257670 810781773 /nfs/dbraw/zinc/78/17/73/810781773.db2.gz PMGTYWFPMPAWIU-MOEXGYKKSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)CCCC(C)C)C1 ZINC001192490113 810802117 /nfs/dbraw/zinc/80/21/17/810802117.db2.gz PWYWIPSBZMFSBI-AWEZNQCLSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)CCCC(C)C)C1 ZINC001192490113 810802126 /nfs/dbraw/zinc/80/21/26/810802126.db2.gz PWYWIPSBZMFSBI-AWEZNQCLSA-N 1 1 286.847 3.098 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@@H]([N@H+](C)C[C@@H](C)CC)C1 ZINC001192578565 810807185 /nfs/dbraw/zinc/80/71/85/810807185.db2.gz PYGVPTBTRCYVIG-LSDHHAIUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC1(CC(=O)N2CC[C@@H]([N@H+](C)CCC)C2)CCCCC1 ZINC001192826357 810822874 /nfs/dbraw/zinc/82/28/74/810822874.db2.gz QZKOTBWYBMVEIJ-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC1(CC(=O)N2CC[C@@H]([N@H+](C)CC)C2)CCCCC1 ZINC001192827193 810823381 /nfs/dbraw/zinc/82/33/81/810823381.db2.gz UUHJUUFDBRUKDB-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)CCC)C1 ZINC001193121950 810859109 /nfs/dbraw/zinc/85/91/09/810859109.db2.gz IBYFYRHBNRWAAJ-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](CCCCC)C(C)C)C1 ZINC001193350302 810876439 /nfs/dbraw/zinc/87/64/39/810876439.db2.gz OPOUYIQUCZDERV-DLBZAZTESA-N 1 1 292.467 3.005 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001193479726 810893853 /nfs/dbraw/zinc/89/38/53/810893853.db2.gz ZURULXRHXKGFRI-HUUCEWRRSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCCC2(C)C)C1 ZINC001194358593 811058662 /nfs/dbraw/zinc/05/86/62/811058662.db2.gz JZJZKPXRUAUSMJ-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@H]([N@@H+](C)CCCF)C2)CCCC1 ZINC001194556470 811089981 /nfs/dbraw/zinc/08/99/81/811089981.db2.gz WLNLYBBRPYDVSN-HNNXBMFYSA-N 1 1 296.430 3.015 20 30 CGEDMO CCCCCCC[N@H+]1CCCN(C(=O)C2CCC2)CC1 ZINC001194612584 811095723 /nfs/dbraw/zinc/09/57/23/811095723.db2.gz OQCJLDPPMLRGFP-UHFFFAOYSA-N 1 1 280.456 3.291 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C[C@@H]2C=CCC2)CC1 ZINC001194761119 811125475 /nfs/dbraw/zinc/12/54/75/811125475.db2.gz AWPNJANKHJILJG-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)/C=C(\C)C2CC2)CC1 ZINC001195017340 811186164 /nfs/dbraw/zinc/18/61/64/811186164.db2.gz XCKUXVDEFMKVQK-IYOXOMEYSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C[C@@H](C)CC)CC1 ZINC001195666740 811276274 /nfs/dbraw/zinc/27/62/74/811276274.db2.gz CHMSLAVOHAYBDF-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H](C)CCCC)CC1 ZINC001195717253 811281888 /nfs/dbraw/zinc/28/18/88/811281888.db2.gz MGCSFTCKFWCFAV-MRXNPFEDSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCC[N@@H+](C[C@@H](F)CC)CC1 ZINC001195966764 811304941 /nfs/dbraw/zinc/30/49/41/811304941.db2.gz WIPBLQWQEBLPER-INIZCTEOSA-N 1 1 296.430 3.037 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCC[N@H+](C[C@@H](F)CC)CC1 ZINC001195966764 811304951 /nfs/dbraw/zinc/30/49/51/811304951.db2.gz WIPBLQWQEBLPER-INIZCTEOSA-N 1 1 296.430 3.037 20 30 CGEDMO C=CC[N@H+](CCCCOC(C)(C)C)[C@H](C)COC ZINC001196048079 811312706 /nfs/dbraw/zinc/31/27/06/811312706.db2.gz MPACJNKAOWKPGX-CQSZACIVSA-N 1 1 257.418 3.105 20 30 CGEDMO C[N@H+](Cc1ccc2cnccc2c1)[C@@H]1CCC[C@H]1C#N ZINC001196833546 811372444 /nfs/dbraw/zinc/37/24/44/811372444.db2.gz STITUEHTAXLJHF-DOTOQJQBSA-N 1 1 265.360 3.359 20 30 CGEDMO C[N@@H+](Cc1ccc2cnccc2c1)[C@@H]1CCC[C@H]1C#N ZINC001196833546 811372453 /nfs/dbraw/zinc/37/24/53/811372453.db2.gz STITUEHTAXLJHF-DOTOQJQBSA-N 1 1 265.360 3.359 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1CCC[N@@H+](CCCCCF)CC1 ZINC001196880093 811375567 /nfs/dbraw/zinc/37/55/67/811375567.db2.gz GRYGGEQYZSTDGC-MRXNPFEDSA-N 1 1 298.446 3.263 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001196943555 811386244 /nfs/dbraw/zinc/38/62/44/811386244.db2.gz QSJYCVFQUFGMBH-IAGOWNOFSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCCC(=O)N1CCC[N@H+]([C@H](C)CCC=C)CC1 ZINC001196993316 811389146 /nfs/dbraw/zinc/38/91/46/811389146.db2.gz LWHBQVVFQCVMFA-MRXNPFEDSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@H](CC)CCC)CC1 ZINC001197577107 811430007 /nfs/dbraw/zinc/43/00/07/811430007.db2.gz DZYRKEMCRBIFMR-MRXNPFEDSA-N 1 1 280.456 3.313 20 30 CGEDMO C=C(C)CC[NH2+][C@H](CCCC(C)C)C(=O)OCC ZINC001197629294 811437967 /nfs/dbraw/zinc/43/79/67/811437967.db2.gz DMQPBALTDLUTLD-CQSZACIVSA-N 1 1 255.402 3.300 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)C[C@H](C)CC(C)C)CC1 ZINC001197793901 811453371 /nfs/dbraw/zinc/45/33/71/811453371.db2.gz DCPDSWXSGXXGKH-MRXNPFEDSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(C1)CCCCN2C(=O)OC(C)(C)C ZINC001198042177 811475296 /nfs/dbraw/zinc/47/52/96/811475296.db2.gz MVZAIDZKMCVKHS-KRWDZBQOSA-N 1 1 294.439 3.428 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC001198490831 811508609 /nfs/dbraw/zinc/50/86/09/811508609.db2.gz LEOMCWAHSHKNAE-UKRRQHHQSA-N 1 1 290.794 3.096 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@](C)(C(=O)OC)C1 ZINC001201787447 811964779 /nfs/dbraw/zinc/96/47/79/811964779.db2.gz BZXSPJPUNQUHQZ-OAHLLOKOSA-N 1 1 255.402 3.232 20 30 CGEDMO CCCCCCCCCC[N@H+]1CC[C@H](O)[C@@](C)(CO)C1 ZINC001201853000 811973209 /nfs/dbraw/zinc/97/32/09/811973209.db2.gz XAVMCJQVQNPZEG-DLBZAZTESA-N 1 1 285.472 3.192 20 30 CGEDMO Cc1cc(F)c(C[NH2+]Cc2ccc(C#N)s2)c(F)c1 ZINC001202870767 812191343 /nfs/dbraw/zinc/19/13/43/812191343.db2.gz WXMUFYRIDBJJAA-UHFFFAOYSA-N 1 1 278.327 3.496 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)cc1 ZINC001203899996 812486404 /nfs/dbraw/zinc/48/64/04/812486404.db2.gz LPPRVAFIANOMLV-OKILXGFUSA-N 1 1 262.303 3.035 20 30 CGEDMO C=CC[NH+]1CCN(Cc2c(OC)ccc3ccccc32)CC1 ZINC001203989735 812510900 /nfs/dbraw/zinc/51/09/00/812510900.db2.gz GYFCDLGKJPCSRG-UHFFFAOYSA-N 1 1 296.414 3.152 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2c[nH]c3ccccc23)CC1 ZINC001204042006 812530097 /nfs/dbraw/zinc/53/00/97/812530097.db2.gz HBUBCRMQVRSXGX-ZDUSSCGKSA-N 1 1 253.349 3.294 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1c(OC)cccc1OC ZINC001204253437 812588103 /nfs/dbraw/zinc/58/81/03/812588103.db2.gz QLAWVAQPPGYBQA-UHFFFAOYSA-N 1 1 263.381 3.492 20 30 CGEDMO COc1cccc(CC[N@@H+](C)Cc2ccccc2C#N)c1 ZINC001204371986 812623356 /nfs/dbraw/zinc/62/33/56/812623356.db2.gz TYFNWYDDEIDYQG-UHFFFAOYSA-N 1 1 280.371 3.241 20 30 CGEDMO C=CCCCCCCCC[N@H+]1C[C@@H](N)C2(CC2)C1 ZINC001204903773 812769710 /nfs/dbraw/zinc/76/97/10/812769710.db2.gz DJKDKAKVZNFWSN-OAHLLOKOSA-N 1 1 250.430 3.326 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1C[C@@H](N)C2(CC2)C1 ZINC001204903773 812769719 /nfs/dbraw/zinc/76/97/19/812769719.db2.gz DJKDKAKVZNFWSN-OAHLLOKOSA-N 1 1 250.430 3.326 20 30 CGEDMO COc1ccc(CC[N@@H+](C)Cc2ccc(F)c(C#N)c2)cc1 ZINC001205493878 812990919 /nfs/dbraw/zinc/99/09/19/812990919.db2.gz XHMJCYXMLISSCI-UHFFFAOYSA-N 1 1 298.361 3.380 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccs2)C1 ZINC001205801705 813084849 /nfs/dbraw/zinc/08/48/49/813084849.db2.gz YXQGUCSUGLYOQM-MGPQQGTHSA-N 1 1 292.448 3.153 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC)C1 ZINC001206040068 813177068 /nfs/dbraw/zinc/17/70/68/813177068.db2.gz FJNGEZPREXVLMT-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO CCCCCCCC[N@H+]1CCCC[C@@](F)(CN)C1 ZINC001206337293 813293829 /nfs/dbraw/zinc/29/38/29/813293829.db2.gz SBKTZWHAVSIFIU-OAHLLOKOSA-N 1 1 258.425 3.500 20 30 CGEDMO CCCCCCCCN1CCCC[C@@](F)(C[NH3+])C1 ZINC001206337293 813293834 /nfs/dbraw/zinc/29/38/34/813293834.db2.gz SBKTZWHAVSIFIU-OAHLLOKOSA-N 1 1 258.425 3.500 20 30 CGEDMO CCCCCCC[N@@H+](CC)Cc1cnc(OC)nc1 ZINC001206400088 813313400 /nfs/dbraw/zinc/31/34/00/813313400.db2.gz GPBAHDSABABETR-UHFFFAOYSA-N 1 1 265.401 3.278 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1Nc1ccc(F)c(CC#N)c1 ZINC001206754830 813423504 /nfs/dbraw/zinc/42/35/04/813423504.db2.gz OGJDYIULZBKRPN-UHFFFAOYSA-N 1 1 284.338 3.405 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(O)cc(Cl)c2)C1 ZINC001206799396 813439332 /nfs/dbraw/zinc/43/93/32/813439332.db2.gz FDCBRNNUSGFWPS-LLVKDONJSA-N 1 1 251.757 3.444 20 30 CGEDMO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[C@H](C)CC)C1 ZINC001207138709 813496546 /nfs/dbraw/zinc/49/65/46/813496546.db2.gz QDNKPJNUQIOORZ-BRWVUGGUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCN(CC[N@@H+](CC1CC1)C1CC1)C(=O)OC(C)(C)C ZINC001207204541 813515721 /nfs/dbraw/zinc/51/57/21/813515721.db2.gz QYGXNLBAVHXFIU-UHFFFAOYSA-N 1 1 294.439 3.284 20 30 CGEDMO C=C(C)C[C@@H]([NH2+][C@@H](C)CC1CCC1)C(=O)OCC ZINC001207334190 813543022 /nfs/dbraw/zinc/54/30/22/813543022.db2.gz MOORNZRWEDDUST-GXTWGEPZSA-N 1 1 253.386 3.053 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](CCc2ccc(Br)cc2)C1 ZINC001207386193 813556460 /nfs/dbraw/zinc/55/64/60/813556460.db2.gz ULTHZGMAZPGYLE-ZDUSSCGKSA-N 1 1 293.208 3.227 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](CCc2ccc(Br)cc2)C1 ZINC001207386193 813556463 /nfs/dbraw/zinc/55/64/63/813556463.db2.gz ULTHZGMAZPGYLE-ZDUSSCGKSA-N 1 1 293.208 3.227 20 30 CGEDMO C[N@@H+](CCC#N)C[C@@H]1CC=C(CCCC(C)(C)O)CC1 ZINC001207402834 813558655 /nfs/dbraw/zinc/55/86/55/813558655.db2.gz OOWARVNNSXEUNL-MRXNPFEDSA-N 1 1 278.440 3.500 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](CCCc2ccccc2F)C1 ZINC001207494525 813575745 /nfs/dbraw/zinc/57/57/45/813575745.db2.gz XMOKEAPUIYOESX-CQSZACIVSA-N 1 1 260.356 3.384 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(F)CCCC2)C1 ZINC001207789601 813651054 /nfs/dbraw/zinc/65/10/54/813651054.db2.gz BOVNJDHTDWGOKH-RBSFLKMASA-N 1 1 296.430 3.060 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2(C)CCCCC2)C1 ZINC001207946727 813676565 /nfs/dbraw/zinc/67/65/65/813676565.db2.gz MNXFTSODTHHJHH-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@](C)(O)[C@H](C)C2)CC1 ZINC001208170905 813724264 /nfs/dbraw/zinc/72/42/64/813724264.db2.gz NYNNXLPLXPULQE-DJIMGWMZSA-N 1 1 263.425 3.382 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@H](F)[C@@H](O)CC2)CC1 ZINC001208171480 813725800 /nfs/dbraw/zinc/72/58/00/813725800.db2.gz USBFFIPGBWILFU-OAGGEKHMSA-N 1 1 267.388 3.084 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+](C)Cc2cc(C)nn2C)CC1 ZINC001208177475 813729016 /nfs/dbraw/zinc/72/90/16/813729016.db2.gz TWGTTXRTHFABBX-MRXNPFEDSA-N 1 1 273.424 3.463 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1C ZINC001208317983 813754343 /nfs/dbraw/zinc/75/43/43/813754343.db2.gz DTFVXPWECXADCZ-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+](C[C@H]1COC2(CCCCC2)O1)C(C)(C)C ZINC001208644818 813781316 /nfs/dbraw/zinc/78/13/16/813781316.db2.gz SHCNRFNOYVXUAQ-AWEZNQCLSA-N 1 1 267.413 3.349 20 30 CGEDMO C[N@@H+](CCCc1cccc(C#N)c1)Cc1ccc(C#N)cc1 ZINC001208852712 813865854 /nfs/dbraw/zinc/86/58/54/813865854.db2.gz RDMORSRHVYGLFX-UHFFFAOYSA-N 1 1 289.382 3.495 20 30 CGEDMO CC(C)[N@@H+](CCCCCO)CCCc1cccc(C#N)c1 ZINC001208854537 813866073 /nfs/dbraw/zinc/86/60/73/813866073.db2.gz QEJYIWNZTLPEJR-UHFFFAOYSA-N 1 1 288.435 3.364 20 30 CGEDMO N#Cc1cccc(CCC[N@H+]2CCOc3ccccc3C2)c1 ZINC001208852886 813867465 /nfs/dbraw/zinc/86/74/65/813867465.db2.gz VUHASRVVXSTNLU-UHFFFAOYSA-N 1 1 292.382 3.385 20 30 CGEDMO N#Cc1ccc(CCC[N@H+]2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC001208857225 813869205 /nfs/dbraw/zinc/86/92/05/813869205.db2.gz YCZACRLRILVRLQ-CALCHBBNSA-N 1 1 254.377 3.223 20 30 CGEDMO C[N@@H+]1CC=C(Nc2cccc3c(C#N)cccc23)CC1 ZINC001208857552 813870152 /nfs/dbraw/zinc/87/01/52/813870152.db2.gz MBENFXAQVHLVBL-UHFFFAOYSA-N 1 1 263.344 3.343 20 30 CGEDMO CCC[N@@H+](CCCc1ccc(C#N)cc1)C1CCOCC1 ZINC001208863670 813871687 /nfs/dbraw/zinc/87/16/87/813871687.db2.gz BGKJTZBLXQXSBZ-UHFFFAOYSA-N 1 1 286.419 3.382 20 30 CGEDMO CN(C)c1ccc(C[N@@H+](C)CCc2ccc(C#N)cc2)cc1 ZINC001208928480 813901207 /nfs/dbraw/zinc/90/12/07/813901207.db2.gz DIZACGUPZBWAHN-UHFFFAOYSA-N 1 1 293.414 3.299 20 30 CGEDMO C=CCN(CC[N@H+]1CCC2(C1)CCCCC2)C(=O)OCC ZINC001209023919 813918002 /nfs/dbraw/zinc/91/80/02/813918002.db2.gz NRRMUBJDRCUGPS-UHFFFAOYSA-N 1 1 294.439 3.287 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001209156629 813949523 /nfs/dbraw/zinc/94/95/23/813949523.db2.gz FPXWRABEHGOIMD-QGZVFWFLSA-N 1 1 294.439 3.428 20 30 CGEDMO CC(=O)OC(C)(C)CCC[N@@H+](CCC#N)C1CCCC1 ZINC001209154592 813950329 /nfs/dbraw/zinc/95/03/29/813950329.db2.gz PAVRTROUIMXMJQ-UHFFFAOYSA-N 1 1 280.412 3.267 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001209157586 813950351 /nfs/dbraw/zinc/95/03/51/813950351.db2.gz XSPZVRFQGFSOAB-CQSZACIVSA-N 1 1 282.428 3.332 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@]2(CCN2C(=O)OC(C)(C)C)C1 ZINC001209159034 813952566 /nfs/dbraw/zinc/95/25/66/813952566.db2.gz ZGHIGLPJKYJSFZ-INIZCTEOSA-N 1 1 280.412 3.038 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@]2(CCC(=O)N2CC=C)[C@H]1CC ZINC001209161674 813953337 /nfs/dbraw/zinc/95/33/37/813953337.db2.gz OIXFBKHOYLPYLA-AEFFLSMTSA-N 1 1 290.451 3.374 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](c2nc(C(C)C)no2)C1 ZINC001209161861 813953470 /nfs/dbraw/zinc/95/34/70/813953470.db2.gz FWOHVBRUAOYIKL-ZDUSSCGKSA-N 1 1 263.385 3.339 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]2OCCC[C@]2(COCC=C)C1 ZINC001209162643 813953885 /nfs/dbraw/zinc/95/38/85/813953885.db2.gz XMRHJGCPJGZBEZ-DLBZAZTESA-N 1 1 279.424 3.026 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](c2nc(CCC)no2)C1 ZINC001209161649 813954118 /nfs/dbraw/zinc/95/41/18/813954118.db2.gz AUSPNOMEIHGMDT-CYBMUJFWSA-N 1 1 263.385 3.168 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]2OCCC[C@]2(COCC=C)C1 ZINC001209162646 813954153 /nfs/dbraw/zinc/95/41/53/813954153.db2.gz XMRHJGCPJGZBEZ-IAGOWNOFSA-N 1 1 279.424 3.026 20 30 CGEDMO C=CCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001209200518 813964193 /nfs/dbraw/zinc/96/41/93/813964193.db2.gz KWTJHSAALAJVIP-GASCZTMLSA-N 1 1 294.439 3.426 20 30 CGEDMO C=CCCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC001209201201 813965524 /nfs/dbraw/zinc/96/55/24/813965524.db2.gz MHDFOBRCCPEALO-KRWDZBQOSA-N 1 1 258.409 3.331 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@H](Oc2ncccc2C)C1 ZINC001209208195 813968065 /nfs/dbraw/zinc/96/80/65/813968065.db2.gz MHODRPLGLLWNBF-HNNXBMFYSA-N 1 1 260.381 3.199 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](CCCCOCc2ccccc2)C1 ZINC001209265040 813987563 /nfs/dbraw/zinc/98/75/63/813987563.db2.gz IVWRETUAVOQLBO-KRWDZBQOSA-N 1 1 272.392 3.219 20 30 CGEDMO C#CCCC[N@@H+]1CC[C@@H](C(=O)OC)C[C@H]1c1ccccc1 ZINC001209267585 813989935 /nfs/dbraw/zinc/98/99/35/813989935.db2.gz JSHSDRPIWBDIFD-SJORKVTESA-N 1 1 285.387 3.026 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001209423420 814025754 /nfs/dbraw/zinc/02/57/54/814025754.db2.gz PMJDQACRLYCAPM-QWHCGFSZSA-N 1 1 279.346 3.368 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@](C)(C(=O)OC)C1 ZINC001209428557 814030377 /nfs/dbraw/zinc/03/03/77/814030377.db2.gz LKLJXLXTRHMGCB-HNNXBMFYSA-N 1 1 253.386 3.008 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](C(=O)OCCCC)C1 ZINC001209432270 814032856 /nfs/dbraw/zinc/03/28/56/814032856.db2.gz BZUKBVMVDAXZKG-HNNXBMFYSA-N 1 1 267.413 3.398 20 30 CGEDMO C=CCCCCCC[N@H+]1C[C@H]2C[C@@]2(CN(C)C)C1 ZINC001209440154 814038329 /nfs/dbraw/zinc/03/83/29/814038329.db2.gz CKVYHYPIDGUMGI-HZPDHXFCSA-N 1 1 250.430 3.006 20 30 CGEDMO C=CCCCCCC[N@@H+]1C[C@H]2C[C@@]2(CN(C)C)C1 ZINC001209440154 814038337 /nfs/dbraw/zinc/03/83/37/814038337.db2.gz CKVYHYPIDGUMGI-HZPDHXFCSA-N 1 1 250.430 3.006 20 30 CGEDMO C=CCCCCCCC[N@H+](C)CCC(=O)OCC ZINC001209439055 814038816 /nfs/dbraw/zinc/03/88/16/814038816.db2.gz HEJYILSPDNHNLB-UHFFFAOYSA-N 1 1 255.402 3.398 20 30 CGEDMO C=CCCCCCC[N@H+](CCC(=O)OC)C1CC1 ZINC001209440097 814039781 /nfs/dbraw/zinc/03/97/81/814039781.db2.gz AQQKTDULQQBXLQ-UHFFFAOYSA-N 1 1 253.386 3.150 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CC[C@@H](NC(C)=O)C1 ZINC001209445988 814045101 /nfs/dbraw/zinc/04/51/01/814045101.db2.gz OMPSEQFVZPXSCW-MRXNPFEDSA-N 1 1 266.429 3.114 20 30 CGEDMO Cc1cc(Cl)ncc1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001209635995 814103579 /nfs/dbraw/zinc/10/35/79/814103579.db2.gz MQDCHMJIPZEYCX-LBPRGKRZSA-N 1 1 263.772 3.169 20 30 CGEDMO Cc1cc(Cl)ncc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001209635995 814103580 /nfs/dbraw/zinc/10/35/80/814103580.db2.gz MQDCHMJIPZEYCX-LBPRGKRZSA-N 1 1 263.772 3.169 20 30 CGEDMO N#Cc1ccccc1-c1ccccc1CN1CCC([NH3+])CC1 ZINC001242717031 823110889 /nfs/dbraw/zinc/11/08/89/823110889.db2.gz LBQBSPXISUYPCV-UHFFFAOYSA-N 1 1 291.398 3.148 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)CC(C)C)C1 ZINC001210112302 814295887 /nfs/dbraw/zinc/29/58/87/814295887.db2.gz SLZJBUGPUQVLDD-OWCLPIDISA-N 1 1 280.456 3.071 20 30 CGEDMO COc1cccc(Nc2c[nH+]c3cccc(C)n23)c1C#N ZINC001210122664 814299812 /nfs/dbraw/zinc/29/98/12/814299812.db2.gz VRZWRTCPTGOMRZ-UHFFFAOYSA-N 1 1 278.315 3.267 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N2CC[N@H+](CC)C[C@@H]2C)c1 ZINC001210299192 814391514 /nfs/dbraw/zinc/39/15/14/814391514.db2.gz BLJCNVYLNSZELE-AWEZNQCLSA-N 1 1 287.407 3.278 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)C(C)(C)C)C1 ZINC001210620703 814560057 /nfs/dbraw/zinc/56/00/57/814560057.db2.gz WBIHUQHMBPHHBK-RBSFLKMASA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(CC)CCCCC2)C1 ZINC001211262149 814864857 /nfs/dbraw/zinc/86/48/57/814864857.db2.gz UJLGHPCCKOSMDS-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[C@@H](NC(=O)[C@@H]([NH3+])c1ccsc1)c1ccccc1 ZINC001221358471 816312247 /nfs/dbraw/zinc/31/22/47/816312247.db2.gz QAQNRKIVJURNSV-CABCVRRESA-N 1 1 286.400 3.182 20 30 CGEDMO C=CCCC(=O)N1C[C@H]2CC[N@H+](CCCCCC)C[C@H]21 ZINC001221430492 816312653 /nfs/dbraw/zinc/31/26/53/816312653.db2.gz GJNVMXQXWJUVLA-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO C/C=C(/C)C(=O)N1C[C@H]2CC[N@H+](CCCCCCC)C[C@H]21 ZINC001221473692 816317418 /nfs/dbraw/zinc/31/74/18/816317418.db2.gz ITKUQSSFIXXUHD-PACMQTEUSA-N 1 1 292.467 3.456 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)CCCF)[C@@H]2C1 ZINC001221747598 816324551 /nfs/dbraw/zinc/32/45/51/816324551.db2.gz YSINWQIKZHSKPI-HZPDHXFCSA-N 1 1 298.446 3.239 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCCCC)[C@@H]2C1 ZINC001221994755 816338914 /nfs/dbraw/zinc/33/89/14/816338914.db2.gz LEHAYPSCBYBMAT-IAGOWNOFSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H](C)CC)C[C@@H]21 ZINC001222607351 816476420 /nfs/dbraw/zinc/47/64/20/816476420.db2.gz ASHXAXQZNULTGO-BBWFWOEESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CC(C)=C(C)C)C[C@@H]21 ZINC001223291537 816599609 /nfs/dbraw/zinc/59/96/09/816599609.db2.gz GBFGAUCSSMBYSO-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]2CC[N@@H+](CCC3CC3)[C@H]2C1 ZINC001223402264 816623130 /nfs/dbraw/zinc/62/31/30/816623130.db2.gz YKNALQVNLGPTFR-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C/C(C)=C/CC(=O)NCC1CC[NH+](CC(=C)Cl)CC1 ZINC001224144304 816741929 /nfs/dbraw/zinc/74/19/29/816741929.db2.gz QAIMLHMWCUZEHQ-WLRTZDKTSA-N 1 1 296.842 3.090 20 30 CGEDMO C=CCCO[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001224339203 816781953 /nfs/dbraw/zinc/78/19/53/816781953.db2.gz GRJJCADIQIYDGZ-NVXWUHKLSA-N 1 1 259.393 3.490 20 30 CGEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](OCCCCCCC#N)C2 ZINC001224370194 816788469 /nfs/dbraw/zinc/78/84/69/816788469.db2.gz SPXREOUYDUFPGV-FICVDOATSA-N 1 1 250.386 3.102 20 30 CGEDMO CCCCCCCCO[C@H](C)C[NH+]1CCOCC1 ZINC001224570085 816828194 /nfs/dbraw/zinc/82/81/94/816828194.db2.gz HFAAYTNGZYSAPZ-OAHLLOKOSA-N 1 1 257.418 3.084 20 30 CGEDMO CC[C@@H](C)CO[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001224667074 816846339 /nfs/dbraw/zinc/84/63/39/816846339.db2.gz DQGMAOUBMJMCIX-PBHICJAKSA-N 1 1 272.392 3.195 20 30 CGEDMO CC[C@@H](C)CO[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001224667074 816846342 /nfs/dbraw/zinc/84/63/42/816846342.db2.gz DQGMAOUBMJMCIX-PBHICJAKSA-N 1 1 272.392 3.195 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OCC#CC1CC1 ZINC001224851306 816894505 /nfs/dbraw/zinc/89/45/05/816894505.db2.gz YLDMOBYQVYCCCD-LPHOPBHVSA-N 1 1 283.415 3.327 20 30 CGEDMO N#CC1(CO[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC001224949812 816915379 /nfs/dbraw/zinc/91/53/79/816915379.db2.gz IIUMGPNAGSFWDN-FGTMMUONSA-N 1 1 296.414 3.217 20 30 CGEDMO C=C[C@H](C#CC(C)(C)C)Oc1cccnc1C[NH+](C)C ZINC001225282663 816993857 /nfs/dbraw/zinc/99/38/57/816993857.db2.gz VMOFEKUCUKLFJR-CQSZACIVSA-N 1 1 272.392 3.126 20 30 CGEDMO C[N@H+]1CC[C@@H](Oc2ccc(C#Cc3ccc(F)cc3)cc2)C1 ZINC001226003622 817245600 /nfs/dbraw/zinc/24/56/00/817245600.db2.gz ASOWCGFOWOKJRQ-LJQANCHMSA-N 1 1 295.357 3.308 20 30 CGEDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(C#N)cc1F)C2 ZINC001226049433 817257769 /nfs/dbraw/zinc/25/77/69/817257769.db2.gz RJWIMQGQOSNBCE-FICVDOATSA-N 1 1 288.366 3.480 20 30 CGEDMO CC(C)c1ccc(C#N)c(O[C@@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)n1 ZINC001226354600 817334210 /nfs/dbraw/zinc/33/42/10/817334210.db2.gz WNQXRHZLNAASDD-SCAQPMJSSA-N 1 1 299.418 3.186 20 30 CGEDMO C=C[C@H](C)Oc1ccc(Br)c(C[NH+](C)C)c1 ZINC001228550773 817935441 /nfs/dbraw/zinc/93/54/41/817935441.db2.gz ZFCPKBRAYAKEGC-JTQLQIEISA-N 1 1 284.197 3.464 20 30 CGEDMO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1CCCCCCC ZINC001231179321 818053382 /nfs/dbraw/zinc/05/33/82/818053382.db2.gz RNTYKNILABKSNC-MRXNPFEDSA-N 1 1 280.456 3.456 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)c1ccccc1C ZINC001231379212 818086846 /nfs/dbraw/zinc/08/68/46/818086846.db2.gz NDFZKPPNUWVDTH-MRXNPFEDSA-N 1 1 288.435 3.401 20 30 CGEDMO N#Cc1ccc2c(c1)CN(Cc1cccc(Cl)c1[O-])CC2 ZINC001231909657 818209866 /nfs/dbraw/zinc/20/98/66/818209866.db2.gz HBZXWOLIMVANFU-UHFFFAOYSA-N 1 1 298.773 3.476 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1ccnc(Br)c1F ZINC001232031956 818236411 /nfs/dbraw/zinc/23/64/11/818236411.db2.gz XCAIDUQURAZRLZ-UHFFFAOYSA-N 1 1 287.176 3.381 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccnc(Br)c1F ZINC001232031956 818236416 /nfs/dbraw/zinc/23/64/16/818236416.db2.gz XCAIDUQURAZRLZ-UHFFFAOYSA-N 1 1 287.176 3.381 20 30 CGEDMO C[C@H]1C[C@@H](CF)[N@H+](Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232112112 818258718 /nfs/dbraw/zinc/25/87/18/818258718.db2.gz ORFLKKBPLSENRF-GWCFXTLKSA-N 1 1 266.747 3.392 20 30 CGEDMO C[C@H]1C[C@@H](CF)[N@@H+](Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232112112 818258723 /nfs/dbraw/zinc/25/87/23/818258723.db2.gz ORFLKKBPLSENRF-GWCFXTLKSA-N 1 1 266.747 3.392 20 30 CGEDMO N#Cc1cccc(O[C@H]2CCC[N@H+](Cc3cnsc3)C2)c1 ZINC001232230675 818286294 /nfs/dbraw/zinc/28/62/94/818286294.db2.gz SCWGHLQIMRJPGG-INIZCTEOSA-N 1 1 299.399 3.058 20 30 CGEDMO N#Cc1cccc(O[C@H]2CCC[N@@H+](Cc3cnsc3)C2)c1 ZINC001232230675 818286298 /nfs/dbraw/zinc/28/62/98/818286298.db2.gz SCWGHLQIMRJPGG-INIZCTEOSA-N 1 1 299.399 3.058 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1nccc2ccccc21 ZINC001232248766 818293572 /nfs/dbraw/zinc/29/35/72/818293572.db2.gz YUQSBIPXMMYIBF-UHFFFAOYSA-N 1 1 253.349 3.360 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1nccc2ccccc21 ZINC001232248766 818293575 /nfs/dbraw/zinc/29/35/75/818293575.db2.gz YUQSBIPXMMYIBF-UHFFFAOYSA-N 1 1 253.349 3.360 20 30 CGEDMO C=CCC[N@H+](Cc1cnc(C)[nH]1)Cc1ccccc1 ZINC001232462925 818356317 /nfs/dbraw/zinc/35/63/17/818356317.db2.gz XLACOPYGQWSGLH-UHFFFAOYSA-N 1 1 255.365 3.296 20 30 CGEDMO C=CCC[N@@H+](Cc1c[nH]c(C)n1)Cc1ccccc1 ZINC001232462925 818356322 /nfs/dbraw/zinc/35/63/22/818356322.db2.gz XLACOPYGQWSGLH-UHFFFAOYSA-N 1 1 255.365 3.296 20 30 CGEDMO C=CCC[N@H+](Cc1c[nH]c(C)n1)Cc1ccccc1 ZINC001232462925 818356330 /nfs/dbraw/zinc/35/63/30/818356330.db2.gz XLACOPYGQWSGLH-UHFFFAOYSA-N 1 1 255.365 3.296 20 30 CGEDMO N#Cc1ccnc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC001232476122 818364984 /nfs/dbraw/zinc/36/49/84/818364984.db2.gz WZWSAMQNCSINRH-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1ccnc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC001232476122 818364988 /nfs/dbraw/zinc/36/49/88/818364988.db2.gz WZWSAMQNCSINRH-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO C=CC[N@H+](C)Cc1cccc(NC(=O)OC(C)(C)C)n1 ZINC001232604630 818394002 /nfs/dbraw/zinc/39/40/02/818394002.db2.gz KDOFVOJILGJRCL-UHFFFAOYSA-N 1 1 277.368 3.046 20 30 CGEDMO N#Cc1ccc([O-])c(C[N@H+]2CC[C@@H](c3ccccc3F)C2)c1 ZINC001232679230 818416742 /nfs/dbraw/zinc/41/67/42/818416742.db2.gz HLGMTOQNRVGQQT-CQSZACIVSA-N 1 1 296.345 3.392 20 30 CGEDMO N#Cc1ccc([O-])c(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c1 ZINC001232678876 818417226 /nfs/dbraw/zinc/41/72/26/818417226.db2.gz SIQXOXKVQFTOHB-HIFRSBDPSA-N 1 1 256.349 3.028 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccc(C(=O)OC)c(F)c1 ZINC001232706045 818422522 /nfs/dbraw/zinc/42/25/22/818422522.db2.gz ZSDJROIGCJVNNG-UHFFFAOYSA-N 1 1 279.355 3.400 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cccc3ncsc32)C1 ZINC001232735414 818427379 /nfs/dbraw/zinc/42/73/79/818427379.db2.gz MBUVVTQCDXHRKK-LBPRGKRZSA-N 1 1 256.374 3.142 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2c[nH]c3cc(Cl)ncc23)C1 ZINC001232820320 818448852 /nfs/dbraw/zinc/44/88/52/818448852.db2.gz DXDRHODIBWJBEJ-NSHDSACASA-N 1 1 288.782 3.342 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccccc2-n2cccc2)C1 ZINC001232910068 818471213 /nfs/dbraw/zinc/47/12/13/818471213.db2.gz CYVFKVCPIPOBHM-INIZCTEOSA-N 1 1 264.372 3.323 20 30 CGEDMO CCCCCCC[N@H+](CC)Cc1[nH]cnc1C(=O)OCC ZINC001232918611 818474022 /nfs/dbraw/zinc/47/40/22/818474022.db2.gz MSZFXLAXEOVPGB-UHFFFAOYSA-N 1 1 295.427 3.379 20 30 CGEDMO CCCCCCC[N@@H+](CC)Cc1[nH]cnc1C(=O)OCC ZINC001232918611 818474027 /nfs/dbraw/zinc/47/40/27/818474027.db2.gz MSZFXLAXEOVPGB-UHFFFAOYSA-N 1 1 295.427 3.379 20 30 CGEDMO Cc1cc(C)c(C[N@@H+](C)Cc2cccc(C#N)c2)cn1 ZINC001233013643 818502615 /nfs/dbraw/zinc/50/26/15/818502615.db2.gz UXYBSODFKKMGKY-UHFFFAOYSA-N 1 1 265.360 3.202 20 30 CGEDMO COC1(c2ccccc2)CC[NH+](Cc2[nH]ccc2C#N)CC1 ZINC001233048269 818510585 /nfs/dbraw/zinc/51/05/85/818510585.db2.gz ZOPDUCUAKAQCLS-UHFFFAOYSA-N 1 1 295.386 3.024 20 30 CGEDMO N#Cc1cc[nH]c1C[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC001233047956 818511340 /nfs/dbraw/zinc/51/13/40/818511340.db2.gz RLKBYIQFVAKXBP-MRXNPFEDSA-N 1 1 257.381 3.431 20 30 CGEDMO CC(C)[N@H+](Cc1ccc(N(C)C)c(C#N)c1F)CC1CC1 ZINC001233100701 818520947 /nfs/dbraw/zinc/52/09/47/818520947.db2.gz MBTNSWRBIKLDIY-UHFFFAOYSA-N 1 1 289.398 3.384 20 30 CGEDMO COc1ccc2c(c1)C[N@@H+](Cc1ccc(C#N)cc1C)C2 ZINC001233082819 818522087 /nfs/dbraw/zinc/52/20/87/818522087.db2.gz JDOHCDQUKSXJMY-UHFFFAOYSA-N 1 1 278.355 3.391 20 30 CGEDMO COc1ccc2c(c1)C[N@H+](Cc1ccc(C#N)cc1C)C2 ZINC001233082819 818522094 /nfs/dbraw/zinc/52/20/94/818522094.db2.gz JDOHCDQUKSXJMY-UHFFFAOYSA-N 1 1 278.355 3.391 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cn2cccc(Cl)c2n1 ZINC001233423454 818616568 /nfs/dbraw/zinc/61/65/68/818616568.db2.gz XGHJTOQUTYMTNH-UHFFFAOYSA-N 1 1 263.772 3.386 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)/C=C/C1CC1 ZINC001233488363 818626885 /nfs/dbraw/zinc/62/68/85/818626885.db2.gz FGLSTSTXXDIJGR-SXSDINLZSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC1CCC1 ZINC001233548109 818637158 /nfs/dbraw/zinc/63/71/58/818637158.db2.gz CXJPVCYTEIDIGG-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)=C1CCCC1 ZINC001233600002 818655236 /nfs/dbraw/zinc/65/52/36/818655236.db2.gz HNZWUNFTYDYTEI-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C(F)=C(C)C ZINC001233654145 818671578 /nfs/dbraw/zinc/67/15/78/818671578.db2.gz OUUMMSMZEIATCK-KBPBESRZSA-N 1 1 282.403 3.137 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1c[nH]c(=O)c2ccccc12 ZINC001233988107 818747564 /nfs/dbraw/zinc/74/75/64/818747564.db2.gz JQRPCBNAXXXEOK-UHFFFAOYSA-N 1 1 283.375 3.456 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1c[nH]c(=O)c2ccccc12 ZINC001233988107 818747569 /nfs/dbraw/zinc/74/75/69/818747569.db2.gz JQRPCBNAXXXEOK-UHFFFAOYSA-N 1 1 283.375 3.456 20 30 CGEDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ccc2cc(C#N)[nH]c2c1 ZINC001233994603 818749934 /nfs/dbraw/zinc/74/99/34/818749934.db2.gz SNPQZZOBTKZGMI-ZSBFGKGUSA-N 1 1 295.386 3.149 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)cs1 ZINC001234086902 818775554 /nfs/dbraw/zinc/77/55/54/818775554.db2.gz FDYMSFWBIQRIQY-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCNC(=O)[C@H](CC)CCCC ZINC001234291628 818829197 /nfs/dbraw/zinc/82/91/97/818829197.db2.gz RZCQVDJQPGWFFT-CQSZACIVSA-N 1 1 288.863 3.393 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCNC(=O)[C@H](CC)CCCC ZINC001234291628 818829201 /nfs/dbraw/zinc/82/92/01/818829201.db2.gz RZCQVDJQPGWFFT-CQSZACIVSA-N 1 1 288.863 3.393 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)CCCC[C@@H](C)CC ZINC001234547849 818881296 /nfs/dbraw/zinc/88/12/96/818881296.db2.gz VJCQAYNVXSKXHZ-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)CCC[C@H](C)CCC ZINC001234546561 818881661 /nfs/dbraw/zinc/88/16/61/818881661.db2.gz LXYNJOODIPGHKB-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCC[C@H](C)CCC ZINC001234546561 818881666 /nfs/dbraw/zinc/88/16/66/818881666.db2.gz LXYNJOODIPGHKB-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2cccc(N3CCCC3)c2)CC1 ZINC001235097242 819000835 /nfs/dbraw/zinc/00/08/35/819000835.db2.gz SWOIZYZPMKQYPA-MRXNPFEDSA-N 1 1 283.419 3.412 20 30 CGEDMO C=CC[N@H+](Cc1cc(C(=O)OC)ccn1)C1CCCCC1 ZINC001235212110 819037652 /nfs/dbraw/zinc/03/76/52/819037652.db2.gz KPUVHVFUGVIENS-UHFFFAOYSA-N 1 1 288.391 3.189 20 30 CGEDMO CCc1cccc(C[N@@H+](C)Cc2ccc(C#N)cc2)n1 ZINC001235252739 819049533 /nfs/dbraw/zinc/04/95/33/819049533.db2.gz DMNVGLRSHMQYDG-UHFFFAOYSA-N 1 1 265.360 3.148 20 30 CGEDMO C=CCCC(=O)NCCC[N@H+](C)[C@@H](C)c1ccccc1F ZINC001235464135 819104801 /nfs/dbraw/zinc/10/48/01/819104801.db2.gz HQQQSRYNWYUSLT-AWEZNQCLSA-N 1 1 292.398 3.291 20 30 CGEDMO N#CCC[N@H+](CCCCO)C1CCCCCCC1 ZINC001235664862 819132452 /nfs/dbraw/zinc/13/24/52/819132452.db2.gz YUYDRFFCPQTSQU-UHFFFAOYSA-N 1 1 252.402 3.087 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(O)c(OC(F)(F)F)c2)C1 ZINC001235673305 819134234 /nfs/dbraw/zinc/13/42/34/819134234.db2.gz PPQPJHPAPYGHNP-NSHDSACASA-N 1 1 299.292 3.136 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C1(C2CC2)CC1 ZINC001235682314 819139462 /nfs/dbraw/zinc/13/94/62/819139462.db2.gz CFEQNBFZZLUHAX-ZBFHGGJFSA-N 1 1 290.451 3.064 20 30 CGEDMO CC(C)(C)c1ccc(C[N@H+]2CC[C@](C)(C#N)C2)c(O)c1 ZINC001235682679 819141445 /nfs/dbraw/zinc/14/14/45/819141445.db2.gz ZBZDYZKNWGSRPH-QGZVFWFLSA-N 1 1 272.392 3.425 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1C=CCCC1 ZINC001235757517 819161977 /nfs/dbraw/zinc/16/19/77/819161977.db2.gz HUTZMWCYGRZVKS-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H]1C=CCCC1 ZINC001235757520 819162026 /nfs/dbraw/zinc/16/20/26/819162026.db2.gz HUTZMWCYGRZVKS-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO N#Cc1cc(-c2ccccc2C[NH+]2CCOCC2)ccc1F ZINC001235895486 819205199 /nfs/dbraw/zinc/20/51/99/819205199.db2.gz NMXAWGOLGOHNAM-UHFFFAOYSA-N 1 1 296.345 3.197 20 30 CGEDMO C#CCCC[N@H+]1CCNC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001236796965 819597472 /nfs/dbraw/zinc/59/74/72/819597472.db2.gz BMBXGDXZVUCIIU-OAHLLOKOSA-N 1 1 296.336 3.065 20 30 CGEDMO C#CCCC[N@@H+]1CCNC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001236796965 819597476 /nfs/dbraw/zinc/59/74/76/819597476.db2.gz BMBXGDXZVUCIIU-OAHLLOKOSA-N 1 1 296.336 3.065 20 30 CGEDMO CCCCCCCC[N@@H+](C)Cc1cc(C(=O)OCC)n[nH]1 ZINC001237035727 819648680 /nfs/dbraw/zinc/64/86/80/819648680.db2.gz QETHEHBZUIKJNR-UHFFFAOYSA-N 1 1 295.427 3.379 20 30 CGEDMO C=CC[NH+](CC=C)Cc1c(Cl)[nH]c2cnccc21 ZINC001237461270 819757338 /nfs/dbraw/zinc/75/73/38/819757338.db2.gz OOOYZTATYZAEDB-UHFFFAOYSA-N 1 1 261.756 3.390 20 30 CGEDMO CCC[N@@H+](CC)Cc1cn(C)c2ccc(C#N)cc12 ZINC001237463257 819757381 /nfs/dbraw/zinc/75/73/81/819757381.db2.gz AGBVVSASYLHFLB-UHFFFAOYSA-N 1 1 255.365 3.282 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cn(C)c3ccc(C#N)cc23)C[C@H]1F ZINC001237465011 819757854 /nfs/dbraw/zinc/75/78/54/819757854.db2.gz HKPSITOHTZALJH-MLGOLLRUSA-N 1 1 285.366 3.230 20 30 CGEDMO Cn1cc(C[N@@H+](C)CC2CCC2)c2cc(C#N)ccc21 ZINC001237471665 819758811 /nfs/dbraw/zinc/75/88/11/819758811.db2.gz WPQWDMHUHPXAKM-UHFFFAOYSA-N 1 1 267.376 3.282 20 30 CGEDMO COc1c(C)cccc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001237512711 819767345 /nfs/dbraw/zinc/76/73/45/819767345.db2.gz GVJJLSDBCNLENO-AWEZNQCLSA-N 1 1 258.365 3.129 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@]3(C2)CCCCO3)c1 ZINC001237746605 819833003 /nfs/dbraw/zinc/83/30/03/819833003.db2.gz OVDXQUCEFHQKJL-INIZCTEOSA-N 1 1 290.794 3.357 20 30 CGEDMO CCCCCCCC[N@@H+](C)Cc1c[nH]ccc1=O ZINC001237840922 819858656 /nfs/dbraw/zinc/85/86/56/819858656.db2.gz RPWIFHKIYGWVTN-UHFFFAOYSA-N 1 1 250.386 3.167 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237948245 819892234 /nfs/dbraw/zinc/89/22/34/819892234.db2.gz BOEOMMGOHINLPU-SNVBAGLBSA-N 1 1 267.731 3.030 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237948245 819892245 /nfs/dbraw/zinc/89/22/45/819892245.db2.gz BOEOMMGOHINLPU-SNVBAGLBSA-N 1 1 267.731 3.030 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2cccc(N3CCCCC3)n2)CC1 ZINC001238001999 819910010 /nfs/dbraw/zinc/91/00/10/819910010.db2.gz AHHZVNQTXJXIQL-MRXNPFEDSA-N 1 1 298.434 3.198 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cccc(N2CCCCC2)n1 ZINC001238011519 819912068 /nfs/dbraw/zinc/91/20/68/819912068.db2.gz QWTWICNDWAKODH-UHFFFAOYSA-N 1 1 271.408 3.246 20 30 CGEDMO Cc1ccc(O)cc1C[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001238091686 819929646 /nfs/dbraw/zinc/92/96/46/819929646.db2.gz BFDFAEZNIMTPHD-UHFFFAOYSA-N 1 1 278.355 3.131 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@]3(CCOC3)C2)ccc1Cl ZINC001238188700 819951121 /nfs/dbraw/zinc/95/11/21/819951121.db2.gz HJZYOPMCURLQBZ-MRXNPFEDSA-N 1 1 290.794 3.214 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)ccc1Cl ZINC001238197227 819954276 /nfs/dbraw/zinc/95/42/76/819954276.db2.gz SAMFOIDFGTUQIC-XJKSGUPXSA-N 1 1 290.794 3.213 20 30 CGEDMO Cc1cc(C[NH+]2CCC(CC#N)CC2)ncc1Cl ZINC001238418061 819989707 /nfs/dbraw/zinc/98/97/07/819989707.db2.gz JEEIXIQULJKPAI-UHFFFAOYSA-N 1 1 263.772 3.169 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(F)c(OC(C)C)c2)C1 ZINC001238458611 820008856 /nfs/dbraw/zinc/00/88/56/820008856.db2.gz QVTIXQOPJRRQMN-AWEZNQCLSA-N 1 1 275.367 3.458 20 30 CGEDMO CCc1cc(C[N@H+]2CC[C@@H](C)[C@](C)(O)CC2)ccc1C#N ZINC001238766481 820110843 /nfs/dbraw/zinc/11/08/43/820110843.db2.gz MLTRPUYQHYLLPY-RDTXWAMCSA-N 1 1 286.419 3.104 20 30 CGEDMO CCc1cc(C[N@@H+](C)Cc2cccnc2)ccc1C#N ZINC001238766263 820110932 /nfs/dbraw/zinc/11/09/32/820110932.db2.gz JUNRBZRYAGFVKA-UHFFFAOYSA-N 1 1 265.360 3.148 20 30 CGEDMO CCCO[C@H]1CC[N@@H+](Cc2ccc(C#N)c(CC)c2)C1 ZINC001238770345 820113333 /nfs/dbraw/zinc/11/33/33/820113333.db2.gz CFAPRCARMVFCKJ-KRWDZBQOSA-N 1 1 272.392 3.122 20 30 CGEDMO Cc1[nH+]ccn1-c1cncc(/C=C/c2ccc(C#N)cc2)n1 ZINC001239284939 820252618 /nfs/dbraw/zinc/25/26/18/820252618.db2.gz TXBZIVRSKSXOMF-VOTSOKGWSA-N 1 1 287.326 3.013 20 30 CGEDMO N#Cc1ccc(C2=CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC001240388032 821011541 /nfs/dbraw/zinc/01/15/41/821011541.db2.gz ZCQMMUBMBIGLSG-UHFFFAOYSA-N 1 1 275.355 3.243 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1-c1ccc(CC#N)cc1 ZINC001241244178 821666091 /nfs/dbraw/zinc/66/60/91/821666091.db2.gz VSUKDOKRKGODHA-UHFFFAOYSA-N 1 1 251.333 3.189 20 30 CGEDMO C#Cc1cccc(-c2ccccc2CN2CCC([NH3+])CC2)c1 ZINC001241919426 822218155 /nfs/dbraw/zinc/21/81/55/822218155.db2.gz HMDFNPKAOGMZKS-UHFFFAOYSA-N 1 1 290.410 3.258 20 30 CGEDMO Cc1cc(N)[nH+]cc1-c1cccc2[nH]cc(CC#N)c21 ZINC001242090737 822345534 /nfs/dbraw/zinc/34/55/34/822345534.db2.gz SFSPBEVHZIILBX-UHFFFAOYSA-N 1 1 262.316 3.187 20 30 CGEDMO C[N@H+]1CC[C@H](c2ccc(-c3ccc(O)c(C#N)c3)cc2)C1 ZINC001242566358 823037067 /nfs/dbraw/zinc/03/70/67/823037067.db2.gz VPNKKIIDCBUZCU-INIZCTEOSA-N 1 1 278.355 3.350 20 30 CGEDMO C#CC[N@@H+](Cc1nc2cc(Cl)ccc2n1C)CC1CC1 ZINC001341067481 936426615 /nfs/dbraw/zinc/42/66/15/936426615.db2.gz NZKVIIKRUMXOAB-UHFFFAOYSA-N 1 1 287.794 3.072 20 30 CGEDMO C#CC[N@H+](Cc1nc2cc(Cl)ccc2n1C)CC1CC1 ZINC001341067481 936426616 /nfs/dbraw/zinc/42/66/16/936426616.db2.gz NZKVIIKRUMXOAB-UHFFFAOYSA-N 1 1 287.794 3.072 20 30 CGEDMO C#CCCCCCC[N@@H+]1C[C@@H](SC)[C@@H](N2CCCC2)C1 ZINC001341080537 936427425 /nfs/dbraw/zinc/42/74/25/936427425.db2.gz YYWJWQAQAXTDQT-DLBZAZTESA-N 1 1 294.508 3.082 20 30 CGEDMO C#CCCCCCCN1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC001341080537 936427428 /nfs/dbraw/zinc/42/74/28/936427428.db2.gz YYWJWQAQAXTDQT-DLBZAZTESA-N 1 1 294.508 3.082 20 30 CGEDMO C[C@@H]1CCc2nc(C[NH+]3CCC(CC#N)CC3)sc2C1 ZINC001342092478 936459227 /nfs/dbraw/zinc/45/92/27/936459227.db2.gz GBOYTFUKHUQUJL-GFCCVEGCSA-N 1 1 289.448 3.394 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)CCCC)CC(C)(C)C1 ZINC001479742509 936527455 /nfs/dbraw/zinc/52/74/55/936527455.db2.gz DCKZTDMVRCFXLW-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc(Cl)c(OC)c2)C1 ZINC001347840254 936898571 /nfs/dbraw/zinc/89/85/71/936898571.db2.gz QFASDCIOXWUBOC-CYBMUJFWSA-N 1 1 281.783 3.126 20 30 CGEDMO C=C[C@H](C(=O)NC[C@H]1CC[N@H+]1C1CCCC1)c1ccccc1 ZINC001347861950 936899682 /nfs/dbraw/zinc/89/96/82/936899682.db2.gz SVXFSVJBLJFKFC-MSOLQXFVSA-N 1 1 298.430 3.089 20 30 CGEDMO C#C[C@H]1CCCN(c2[nH+]ccc3c(C)cccc32)C1 ZINC001349878039 936967279 /nfs/dbraw/zinc/96/72/79/936967279.db2.gz NDICWACGURASJL-AWEZNQCLSA-N 1 1 250.345 3.393 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@@H]1CCCN(C(=O)/C(C)=C/CC)C1 ZINC001480073832 937009982 /nfs/dbraw/zinc/00/99/82/937009982.db2.gz XMTACVMDZCHMKT-COSNYCCFSA-N 1 1 298.858 3.266 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)C2CC=CC2)C1 ZINC001480074643 937015256 /nfs/dbraw/zinc/01/52/56/937015256.db2.gz MFRXHYQTTIMWOO-MRXNPFEDSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001480247363 937040701 /nfs/dbraw/zinc/04/07/01/937040701.db2.gz SUQSAXUQOLNUIS-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC001352860335 937052069 /nfs/dbraw/zinc/05/20/69/937052069.db2.gz AHUOAZRQXSATGK-ZDUSSCGKSA-N 1 1 270.376 3.179 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H]1CCC[N@@H+]1CCCCC ZINC001481041566 926870653 /nfs/dbraw/zinc/87/06/53/926870653.db2.gz HURMDNGJWNUJCJ-OAHLLOKOSA-N 1 1 266.429 3.114 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](CNC(=O)C/C=C\c2ccc(C)cc2)C1 ZINC001481128933 926892191 /nfs/dbraw/zinc/89/21/91/926892191.db2.gz WUHMNPGNCZANEN-XDXAGZTOSA-N 1 1 298.430 3.022 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@@H](C[N@@H+](C)CC=C(C)C)C1 ZINC001481485952 927002023 /nfs/dbraw/zinc/00/20/23/927002023.db2.gz MQWMWMAFZZXPIW-INIZCTEOSA-N 1 1 292.467 3.335 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)c2ccccc2)C1 ZINC001481541557 927021483 /nfs/dbraw/zinc/02/14/83/927021483.db2.gz LSEZKGMSUJKVCV-UHFFFAOYSA-N 1 1 274.408 3.071 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)C2CC3(CCC3)C2)C1 ZINC001481576785 927027823 /nfs/dbraw/zinc/02/78/23/927027823.db2.gz HHGIOIMMOBFSPL-UHFFFAOYSA-N 1 1 292.467 3.338 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2sccc2F)C1 ZINC001481688060 927058786 /nfs/dbraw/zinc/05/87/86/927058786.db2.gz GASXQDKIMLJHPJ-NEPJUHHUSA-N 1 1 296.411 3.046 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)C(CC)CC)C1 ZINC001481758868 927081187 /nfs/dbraw/zinc/08/11/87/927081187.db2.gz BNKUMJPDMNQGJZ-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC(=O)N(CC)[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001481763170 927083447 /nfs/dbraw/zinc/08/34/47/927083447.db2.gz XCRSYWHLLHCYHT-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CCC2CC2)C1 ZINC001482659601 927339940 /nfs/dbraw/zinc/33/99/40/927339940.db2.gz PMJDJWVZOXIZBS-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO COCC[N@H+](Cc1ccc(C#N)cc1)CC1CC(C)C1 ZINC001473146361 937165300 /nfs/dbraw/zinc/16/53/00/937165300.db2.gz AOCXENZNRQNCNE-UHFFFAOYSA-N 1 1 272.392 3.053 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)c1sccc1C ZINC001483303824 927478437 /nfs/dbraw/zinc/47/84/37/927478437.db2.gz GLGFVXHASZTXOQ-UONOGXRCSA-N 1 1 294.464 3.461 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H](C)C[N@H+](C)C[C@@H](C)CC ZINC001483341449 927486408 /nfs/dbraw/zinc/48/64/08/927486408.db2.gz CRZMFNAZKGSANU-UONOGXRCSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)C(C)(C)C1CCC1 ZINC001483368201 927490351 /nfs/dbraw/zinc/49/03/51/927490351.db2.gz JGKCOYUDHNULLK-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)c1ccccc1F ZINC001483635791 927554245 /nfs/dbraw/zinc/55/42/45/927554245.db2.gz NJFMDOCHGZJZJO-KBPBESRZSA-N 1 1 290.382 3.043 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)c1ccccc1F ZINC001483635791 927554255 /nfs/dbraw/zinc/55/42/55/927554255.db2.gz NJFMDOCHGZJZJO-KBPBESRZSA-N 1 1 290.382 3.043 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@H]2CC[N@H+]2CCC2CCCC2)C1 ZINC001483679371 927569228 /nfs/dbraw/zinc/56/92/28/927569228.db2.gz IJBARSVTTFWPSL-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)C[C@@H]1CCCCC1(C)C ZINC001483709432 927582521 /nfs/dbraw/zinc/58/25/21/927582521.db2.gz XRIBUSOZTXVSBG-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@]2(CCN(C(=O)C(C)C)C2)C1 ZINC001483827673 927631988 /nfs/dbraw/zinc/63/19/88/927631988.db2.gz AGBOOIMVMCJCNH-FUHWJXTLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@]2(CC[N@H+](CCCC)C2)C1 ZINC001483849653 927633671 /nfs/dbraw/zinc/63/36/71/927633671.db2.gz ZMPRXYSZMCWDCH-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCCC(=O)N1CC[C@@]2(CC[N@H+](C[C@H](C)CC)C2)C1 ZINC001483846154 927635276 /nfs/dbraw/zinc/63/52/76/927635276.db2.gz UFCJBWIJNSGUGU-SJLPKXTDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@](C)(NC(=O)c2occc2C)C1 ZINC001484029417 927664055 /nfs/dbraw/zinc/66/40/55/927664055.db2.gz JTOJEGLTQZDCCD-YOEHRIQHSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)C2(C)CC(=C)C2)C1 ZINC001484168164 927686491 /nfs/dbraw/zinc/68/64/91/927686491.db2.gz KRNMXOSSWNYZQW-QGZVFWFLSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)CCCC)CC1 ZINC001484705891 927739763 /nfs/dbraw/zinc/73/97/63/927739763.db2.gz AYTWJECCAYIZEH-OAHLLOKOSA-N 1 1 266.429 3.114 20 30 CGEDMO C#CCC[N@H+](C)CCCN(C)C(=O)[C@]1(C)CCC[C@H]1CC ZINC001484747046 927749322 /nfs/dbraw/zinc/74/93/22/927749322.db2.gz LPKJZDLPTVIGML-SJLPKXTDSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)CC1(C)CCCC1 ZINC001484741045 927749772 /nfs/dbraw/zinc/74/97/72/927749772.db2.gz NCRRCZDVOGDQPX-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)/C(C)=C\CC)C[C@@H]1C ZINC001484970089 927777098 /nfs/dbraw/zinc/77/70/98/927777098.db2.gz YWSUVCPFUCTTOZ-BKZJWICZSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)CC(C)(C)C ZINC001485046131 927793276 /nfs/dbraw/zinc/79/32/76/927793276.db2.gz BPTNANMNLQIAQV-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)C1=CCCC1 ZINC001485053821 927795936 /nfs/dbraw/zinc/79/59/36/927795936.db2.gz DENSDJSMSUDLCO-WBVHZDCISA-N 1 1 290.451 3.374 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)C1(CCF)CC1 ZINC001485061093 927802642 /nfs/dbraw/zinc/80/26/42/927802642.db2.gz QGKYWORFWZVNFM-OAHLLOKOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCCC(=O)NC[C@H](C)[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001485284049 927840440 /nfs/dbraw/zinc/84/04/40/927840440.db2.gz DZGHXERIOWTAJU-WMLDXEAASA-N 1 1 286.419 3.077 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)C1=CCCCCC1 ZINC001485296127 927844084 /nfs/dbraw/zinc/84/40/84/927844084.db2.gz RTMJYDQNQFKPBP-OAHLLOKOSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)C1(CC)CCC1 ZINC001485341696 927851769 /nfs/dbraw/zinc/85/17/69/927851769.db2.gz LTJPHEYMETWRBO-HUUCEWRRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)C=C(C)C ZINC001485472730 927874707 /nfs/dbraw/zinc/87/47/07/927874707.db2.gz ITOYMDPMAIRTRB-MRXNPFEDSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)CCC(C)(C)C)C(C)(C)C1 ZINC001485583279 927894085 /nfs/dbraw/zinc/89/40/85/927894085.db2.gz ZNSIRHFSJCFYTP-HUUCEWRRSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC(C)(C)C)C[C@H]2C1 ZINC001485653753 927896405 /nfs/dbraw/zinc/89/64/05/927896405.db2.gz KLSJNRDQYVIHNB-JYJNAYRXSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC2(C)C)CC1 ZINC001485762210 927916334 /nfs/dbraw/zinc/91/63/34/927916334.db2.gz PFAPANMGKSHZML-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C ZINC001559690062 937210029 /nfs/dbraw/zinc/21/00/29/937210029.db2.gz DRGCZKKRLCULTR-ZIAGYGMSSA-N 1 1 282.428 3.282 20 30 CGEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)CC(C)(C)C)[C@H]1C ZINC001486188461 927996713 /nfs/dbraw/zinc/99/67/13/927996713.db2.gz YYQCBRAQBJJIGI-HUUCEWRRSA-N 1 1 292.467 3.051 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)CC(C)(C)C)[C@H]1C ZINC001486188461 927996717 /nfs/dbraw/zinc/99/67/17/927996717.db2.gz YYQCBRAQBJJIGI-HUUCEWRRSA-N 1 1 292.467 3.051 20 30 CGEDMO C#Cc1ccc(C[N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)cc1 ZINC001144568033 928198412 /nfs/dbraw/zinc/19/84/12/928198412.db2.gz IWUXWEOGWGBVRG-CABCVRRESA-N 1 1 261.315 3.145 20 30 CGEDMO Cc1ccc2c(c1)C[C@H]([N@H+]1CCC[C@@H](C#N)C1)CC2 ZINC001172829816 928224842 /nfs/dbraw/zinc/22/48/42/928224842.db2.gz DKRGKQOWDWWYGV-WMLDXEAASA-N 1 1 254.377 3.088 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)C1CCCC1 ZINC001488675091 928287755 /nfs/dbraw/zinc/28/77/55/928287755.db2.gz FEPDGSPPXOGOPZ-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](CC)CCC ZINC001488677420 928292087 /nfs/dbraw/zinc/29/20/87/928292087.db2.gz QBOZBUWEBAIBHH-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@@H+](CC2=CCCCC2)[C@@H]1CC ZINC001489106439 928312933 /nfs/dbraw/zinc/31/29/33/928312933.db2.gz QTMAMXAFPAXTIB-DLBZAZTESA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)/C(C)=C\CC)[C@H]1CC ZINC001489106263 928314443 /nfs/dbraw/zinc/31/44/43/928314443.db2.gz ZDRBQIWYXFVVCD-YPCCIVHHSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)SC)[C@H]1CC ZINC001489112359 928314648 /nfs/dbraw/zinc/31/46/48/928314648.db2.gz UXFOGFSYFXOKJZ-QLFBSQMISA-N 1 1 298.496 3.063 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C=C2CCC2)[C@H]1CC ZINC001489110013 928315264 /nfs/dbraw/zinc/31/52/64/928315264.db2.gz BORJMHFJFJVHIT-JKSUJKDBSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@H](C)CC)C[C@@H]2C1 ZINC001489206082 928317955 /nfs/dbraw/zinc/31/79/55/928317955.db2.gz OBONLFSMVLCPTG-ZACQAIPSSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1ccccc1C ZINC001489316067 928323220 /nfs/dbraw/zinc/32/32/20/928323220.db2.gz KQMRMJFOTWGCBA-INIZCTEOSA-N 1 1 286.419 3.108 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](CCC)CC(C)C)[C@H]1C ZINC001489315049 928324775 /nfs/dbraw/zinc/32/47/75/928324775.db2.gz OWTIQVKFVNVLNE-OAGGEKHMSA-N 1 1 280.456 3.214 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CC/C=C/CC)[C@@H]2C)C1 ZINC001489288674 928326058 /nfs/dbraw/zinc/32/60/58/928326058.db2.gz KNWFLIJKIWBIOQ-ZWOPJXCPSA-N 1 1 290.451 3.278 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1CC[N@H+](CCCC)CC(C)(C)C1 ZINC001489341368 928328052 /nfs/dbraw/zinc/32/80/52/928328052.db2.gz FMZLFBFAYXGKDQ-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC12CCC2 ZINC001489340343 928328924 /nfs/dbraw/zinc/32/89/24/928328924.db2.gz WOYDIXLMVRITLL-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)c1ccsc1C ZINC001490323225 928349080 /nfs/dbraw/zinc/34/90/80/928349080.db2.gz LDMCVFSYRQWAJN-UHFFFAOYSA-N 1 1 280.437 3.074 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)[C@@]1(C)CCC[C@@H]1C)C1CC1 ZINC001490385090 928350711 /nfs/dbraw/zinc/35/07/11/928350711.db2.gz FWBYOPLHDJHURC-YJBOKZPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+](CCCNC(=O)C1CCC(=C)CC1)C1CC1 ZINC001490385433 928351202 /nfs/dbraw/zinc/35/12/02/928351202.db2.gz MHNKROVZUJRFDW-UHFFFAOYSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC001493272695 937239689 /nfs/dbraw/zinc/23/96/89/937239689.db2.gz XAKZCWDGDIPMHX-CVEARBPZSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@@H+](CC)CCNC(=O)c1occc1-c1ccccc1 ZINC001492983664 937239920 /nfs/dbraw/zinc/23/99/20/937239920.db2.gz ZIVAFXKWQWEZFJ-UHFFFAOYSA-N 1 1 298.386 3.184 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H](C[N@H+](C)[C@@H](C)CCC=C)C1 ZINC001490754035 928387076 /nfs/dbraw/zinc/38/70/76/928387076.db2.gz UOPLHFXQQVERMX-IRXDYDNUSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC(C)=C(C)C ZINC001490799154 928407344 /nfs/dbraw/zinc/40/73/44/928407344.db2.gz FANSLRDOMTTYMY-CALCHBBNSA-N 1 1 290.451 3.374 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)C1C(C)(C)C1(C)C ZINC001492932962 937243866 /nfs/dbraw/zinc/24/38/66/937243866.db2.gz KCIHIDKDAKVIGX-AWEZNQCLSA-N 1 1 294.483 3.461 20 30 CGEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)CCC(C)(C)C ZINC001491229581 928848373 /nfs/dbraw/zinc/84/83/73/928848373.db2.gz IPMSKZBCEKPWEH-JKSUJKDBSA-N 1 1 292.467 3.053 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCCC(C)C)C1 ZINC001491295469 928853277 /nfs/dbraw/zinc/85/32/77/928853277.db2.gz BIPCWTVHDRMUKA-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)=C2CCC2)C1 ZINC001491289283 928854647 /nfs/dbraw/zinc/85/46/47/928854647.db2.gz ZOYJBAPNGJONIG-DOTOQJQBSA-N 1 1 290.451 3.280 20 30 CGEDMO CCCCCCCC(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC001439249928 937315176 /nfs/dbraw/zinc/31/51/76/937315176.db2.gz LTWXRLXFMJJWHE-GJZGRUSLSA-N 1 1 298.496 3.043 20 30 CGEDMO CC(C)(C)[N@H+]1CCCN(c2cc(F)ccc2C#N)CC1 ZINC001458141594 937452399 /nfs/dbraw/zinc/45/23/99/937452399.db2.gz GGBVUHXXEDQNIZ-UHFFFAOYSA-N 1 1 275.371 3.008 20 30 CGEDMO Cc1cc(SCC[N@H+](C)Cc2ccccc2)ncc1C#N ZINC001458345219 937459148 /nfs/dbraw/zinc/45/91/48/937459148.db2.gz JXNGKPVZKJCIDD-UHFFFAOYSA-N 1 1 297.427 3.486 20 30 CGEDMO C=CCCCCC[N@H+](C)CC(=O)NCCC(C)(C)C ZINC001459540943 937491277 /nfs/dbraw/zinc/49/12/77/937491277.db2.gz OAZYOUBTEGEUCA-UHFFFAOYSA-N 1 1 268.445 3.217 20 30 CGEDMO CCCCCCCCC[N@@H+](C)[C@@H]1CCCCNC1=O ZINC001459438323 937488483 /nfs/dbraw/zinc/48/84/83/937488483.db2.gz NPSYEAUJVPXGNU-OAHLLOKOSA-N 1 1 268.445 3.338 20 30 CGEDMO C#CCOCC[N@H+](C)CC[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001459895119 937505254 /nfs/dbraw/zinc/50/52/54/937505254.db2.gz SULYJVANDIJKJU-ZSHCYNCHSA-N 1 1 251.414 3.030 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC001460202886 937519930 /nfs/dbraw/zinc/51/99/30/937519930.db2.gz LZXWGBFKMSAIBI-DOMZBBRYSA-N 1 1 253.386 3.005 20 30 CGEDMO C=CCCCC[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C ZINC001460208163 937520115 /nfs/dbraw/zinc/52/01/15/937520115.db2.gz LEHHFTSXFCOXNT-ZDUSSCGKSA-N 1 1 255.402 3.252 20 30 CGEDMO COC[C@@H]1CCCC[N@H+]1Cc1c(C)cc(C#N)cc1C ZINC001460240855 937522325 /nfs/dbraw/zinc/52/23/25/937522325.db2.gz XQHMOTBTEBVFEF-INIZCTEOSA-N 1 1 272.392 3.176 20 30 CGEDMO CCCCCCCCC[N@H+]1C[C@@H](OC)C[C@@]1(C)CO ZINC001460617935 937536898 /nfs/dbraw/zinc/53/68/98/937536898.db2.gz IVICEIWNOJTQDO-HOTGVXAUSA-N 1 1 271.445 3.209 20 30 CGEDMO CCCCCCCCC[N@H+]1C[C@@H](OC)C[C@]1(C)CO ZINC001460617939 937537052 /nfs/dbraw/zinc/53/70/52/937537052.db2.gz IVICEIWNOJTQDO-JKSUJKDBSA-N 1 1 271.445 3.209 20 30 CGEDMO CCC#C[C@H](C)[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC001460804978 937546209 /nfs/dbraw/zinc/54/62/09/937546209.db2.gz VELWHTKZHARXCF-SXLOBPIMSA-N 1 1 296.458 3.242 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC001460804978 937546210 /nfs/dbraw/zinc/54/62/10/937546210.db2.gz VELWHTKZHARXCF-SXLOBPIMSA-N 1 1 296.458 3.242 20 30 CGEDMO CCC#C[C@H](C)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001460804978 937546212 /nfs/dbraw/zinc/54/62/12/937546212.db2.gz VELWHTKZHARXCF-SXLOBPIMSA-N 1 1 296.458 3.242 20 30 CGEDMO CCC#C[C@H](C)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001460804978 937546214 /nfs/dbraw/zinc/54/62/14/937546214.db2.gz VELWHTKZHARXCF-SXLOBPIMSA-N 1 1 296.458 3.242 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001460882173 937550435 /nfs/dbraw/zinc/55/04/35/937550435.db2.gz PQPDLIJXCMAVDW-GJZGRUSLSA-N 1 1 296.455 3.435 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)CCC(F)(F)F ZINC001329408219 931949582 /nfs/dbraw/zinc/94/95/82/931949582.db2.gz HRPLPRDEPGAMSK-NWDGAFQWSA-N 1 1 294.361 3.120 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc(C#N)c(F)c1)C1CCN(C)CC1 ZINC001139531363 931953798 /nfs/dbraw/zinc/95/37/98/931953798.db2.gz XUYUMVXFCQFLKP-UHFFFAOYSA-N 1 1 289.398 3.002 20 30 CGEDMO CC[N@@H+](Cc1c[nH]c2ccc(C#N)cc12)Cc1cccnc1 ZINC001140115230 931955808 /nfs/dbraw/zinc/95/58/08/931955808.db2.gz RAMIPNQMSVGXJZ-UHFFFAOYSA-N 1 1 290.370 3.457 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1[C@H](CCc1ccccc1)C(=O)OCC ZINC001460912027 937552530 /nfs/dbraw/zinc/55/25/30/937552530.db2.gz XYBBMUVZFVKQMK-DLBZAZTESA-N 1 1 287.403 3.201 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1[C@H](CCc1ccccc1)C(=O)OCC ZINC001460912027 937552533 /nfs/dbraw/zinc/55/25/33/937552533.db2.gz XYBBMUVZFVKQMK-DLBZAZTESA-N 1 1 287.403 3.201 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC(C)(C)C1 ZINC001157172226 931979337 /nfs/dbraw/zinc/97/93/37/931979337.db2.gz LPLSYRWFIAFTJP-CVEARBPZSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@](C)(CC)CCCCC ZINC001157172865 931979505 /nfs/dbraw/zinc/97/95/05/931979505.db2.gz YTEHQPSYMAUCGK-SJLPKXTDSA-N 1 1 294.483 3.443 20 30 CGEDMO COc1ccccc1C[N@H+](C)Cc1cc(F)cc(C#N)c1 ZINC000163560119 932003345 /nfs/dbraw/zinc/00/33/45/932003345.db2.gz BCCIYEXXEPRIFT-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO COc1ccccc1C[N@@H+](C)Cc1cc(F)cc(C#N)c1 ZINC000163560119 932003351 /nfs/dbraw/zinc/00/33/51/932003351.db2.gz BCCIYEXXEPRIFT-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCCC[C@]23CCCOC3)cc1 ZINC001460971853 937556819 /nfs/dbraw/zinc/55/68/19/937556819.db2.gz DZAXMAITADFARB-GOSISDBHSA-N 1 1 287.378 3.212 20 30 CGEDMO CC[N@H+]1CC[C@@H](Oc2ccc3ccc(C#N)cc3c2)C1 ZINC001228968301 932061537 /nfs/dbraw/zinc/06/15/37/932061537.db2.gz ITZARJMDEXNDLX-QGZVFWFLSA-N 1 1 266.344 3.184 20 30 CGEDMO C#C[C@@H](C)Oc1ccc2c(n1)C[N@@H+](Cc1ccccc1)CC2 ZINC001229056532 932084113 /nfs/dbraw/zinc/08/41/13/932084113.db2.gz PFKDDZNZXIEZTI-OAHLLOKOSA-N 1 1 292.382 3.040 20 30 CGEDMO C#C[C@@H](C)Oc1ccc2c(n1)C[N@H+](Cc1ccccc1)CC2 ZINC001229056532 932084122 /nfs/dbraw/zinc/08/41/22/932084122.db2.gz PFKDDZNZXIEZTI-OAHLLOKOSA-N 1 1 292.382 3.040 20 30 CGEDMO C=CC[C@@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](CC)CCC)C1 ZINC001229568409 932173261 /nfs/dbraw/zinc/17/32/61/932173261.db2.gz DCBMCIOXALNOEY-JKSUJKDBSA-N 1 1 295.471 3.105 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCC)CC1 ZINC001230491098 932577401 /nfs/dbraw/zinc/57/74/01/932577401.db2.gz YLFVZNRBCGOCHE-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C#C[C@H](CCCCC)Oc1ccc2[nH+]c(N)[nH]c2c1 ZINC001230507527 932580108 /nfs/dbraw/zinc/58/01/08/932580108.db2.gz NPVAJUJTYWXCPE-LLVKDONJSA-N 1 1 257.337 3.106 20 30 CGEDMO C=C(C)C[C@H](Oc1ccc2[nH+]c(N)[nH]c2c1)C(=C)C ZINC001230519027 932582183 /nfs/dbraw/zinc/58/21/83/932582183.db2.gz XJNUPQGUXCRFHJ-AWEZNQCLSA-N 1 1 257.337 3.435 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C1CCCC1 ZINC001230575010 932591164 /nfs/dbraw/zinc/59/11/64/932591164.db2.gz KBFNTIXGHLDUPF-GOEBONIOSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CCCC1 ZINC001230574538 932592219 /nfs/dbraw/zinc/59/22/19/932592219.db2.gz GFIMWLDPIIOLDG-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CC1CCCC1 ZINC001230665658 932605994 /nfs/dbraw/zinc/60/59/94/932605994.db2.gz WLADEHNXCYNOAQ-DOTOQJQBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)CCC1CCCC1 ZINC001230674595 932606798 /nfs/dbraw/zinc/60/67/98/932606798.db2.gz ABCSNYMNFNVVAS-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)CC1CCCCC1 ZINC001230681766 932608390 /nfs/dbraw/zinc/60/83/90/932608390.db2.gz NMBVSLUEHUYNKL-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CCC(C)C ZINC001230730392 932615749 /nfs/dbraw/zinc/61/57/49/932615749.db2.gz CVFOOCXZRAEKFT-HOTGVXAUSA-N 1 1 280.456 3.310 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)C ZINC001230803092 932626116 /nfs/dbraw/zinc/62/61/16/932626116.db2.gz UQDZFMOGAOSRDL-HNNXBMFYSA-N 1 1 268.445 3.146 20 30 CGEDMO C=C(C)[C@H]1CC=C(C)[C@@H](Oc2[nH+][nH]cc3nncc2-3)C1 ZINC001230897151 932637589 /nfs/dbraw/zinc/63/75/89/932637589.db2.gz ZOAWYZASYZZTHU-FZMZJTMJSA-N 1 1 270.336 3.033 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)CC(C)(C)C ZINC001316611078 932748270 /nfs/dbraw/zinc/74/82/70/932748270.db2.gz XAFJKSUEDDMOFZ-OAHLLOKOSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)CSCCC)C1 ZINC001491910882 932796337 /nfs/dbraw/zinc/79/63/37/932796337.db2.gz KUHVDEVVXDWUOO-HNNXBMFYSA-N 1 1 298.496 3.019 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](C)CCC ZINC001492142650 932806910 /nfs/dbraw/zinc/80/69/10/932806910.db2.gz ABOHYAXZQWDPPO-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC1(CC(=O)NCC[N@@H+](C)C[C@H](F)CC)CCCCC1 ZINC001492454656 932819065 /nfs/dbraw/zinc/81/90/65/932819065.db2.gz ZNGORCOZZKMYHL-OAHLLOKOSA-N 1 1 298.446 3.309 20 30 CGEDMO C=CC1(CC(=O)NCC[N@H+](C)C[C@H](F)CC)CCCCC1 ZINC001492454656 932819068 /nfs/dbraw/zinc/81/90/68/932819068.db2.gz ZNGORCOZZKMYHL-OAHLLOKOSA-N 1 1 298.446 3.309 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H](C)[NH2+]C/C(Cl)=C\Cl ZINC001317271082 932824927 /nfs/dbraw/zinc/82/49/27/932824927.db2.gz LRAOORYNORFMDP-UEUZTHOGSA-N 1 1 293.238 3.002 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@@H]([N@@H+](C)C/C=C\Cl)C1 ZINC001317377594 932860791 /nfs/dbraw/zinc/86/07/91/932860791.db2.gz UKTNRXNVPOWDJP-IUCKJTJTSA-N 1 1 298.858 3.264 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@@H+](CC2CC(C)C2)[C@@H]1CC ZINC001316736067 932862139 /nfs/dbraw/zinc/86/21/39/932862139.db2.gz AKIJXQCDQDWZGQ-SJJHQCBESA-N 1 1 292.467 3.358 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H](CCC)C(C)C ZINC001317430968 932869642 /nfs/dbraw/zinc/86/96/42/932869642.db2.gz CXLQSQDEIWYCGX-SJORKVTESA-N 1 1 292.467 3.053 20 30 CGEDMO C#Cc1ccc(C[N@@H+](C)Cc2c(C)cc(C)nc2OC)cc1 ZINC001462458044 937642933 /nfs/dbraw/zinc/64/29/33/937642933.db2.gz BCXHAUYFCKIAMB-UHFFFAOYSA-N 1 1 294.398 3.320 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)Cc2c(C)cc(C)nc2OC)cc1 ZINC001462458044 937642935 /nfs/dbraw/zinc/64/29/35/937642935.db2.gz BCXHAUYFCKIAMB-UHFFFAOYSA-N 1 1 294.398 3.320 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](CCCc2ccc(F)c(F)c2)C1 ZINC001462461021 937643115 /nfs/dbraw/zinc/64/31/15/937643115.db2.gz LXULXJBILXXEQG-CQSZACIVSA-N 1 1 263.331 3.243 20 30 CGEDMO COCC[N@@H+](CCC1(C#N)CCCCC1)CC(C)C ZINC001307412050 932948117 /nfs/dbraw/zinc/94/81/17/932948117.db2.gz BLTVGWLCIWJEOT-UHFFFAOYSA-N 1 1 266.429 3.455 20 30 CGEDMO CC[C@@H](C)[C@H](C)[N@@H+](Cc1cc(C#N)ccn1)C1CC1 ZINC001307463326 932956918 /nfs/dbraw/zinc/95/69/18/932956918.db2.gz RFNVJNJYYGIXHJ-OLZOCXBDSA-N 1 1 257.381 3.352 20 30 CGEDMO C=C(C)C[C@@H]([NH2+]C1CCCCCCC1)C(=O)OC ZINC001462504646 937646185 /nfs/dbraw/zinc/64/61/85/937646185.db2.gz JLDOOGFEKPKUDR-CQSZACIVSA-N 1 1 253.386 3.197 20 30 CGEDMO CC[C@@H]1CC[N@@H+](CCOc2ccccc2C#N)[C@H]1C ZINC001307703261 932989833 /nfs/dbraw/zinc/98/98/33/932989833.db2.gz QNVDXTPKTZBUFU-UONOGXRCSA-N 1 1 258.365 3.057 20 30 CGEDMO C[N@@H+](C[C@H](O)c1cccc(C#N)c1)[C@@H]1CCC(C)(C)C1 ZINC001307739213 932994885 /nfs/dbraw/zinc/99/48/85/932994885.db2.gz WULUNQJYBAYEQC-CVEARBPZSA-N 1 1 272.392 3.102 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@@H](C)[C@H]1C(=O)OC(C)(C)C ZINC001307860852 933010225 /nfs/dbraw/zinc/01/02/25/933010225.db2.gz SDIRVXMSNPWAPQ-KGLIPLIRSA-N 1 1 267.413 3.395 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@]1(C)Cc1cccc(F)c1 ZINC001307866968 933010960 /nfs/dbraw/zinc/01/09/60/933010960.db2.gz MQDOAYPVUKLZGT-QGZVFWFLSA-N 1 1 277.383 3.425 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](CCCc2ccccc2OC)C1 ZINC001307872505 933011971 /nfs/dbraw/zinc/01/19/71/933011971.db2.gz OSQQRNMWGVHDPL-MRXNPFEDSA-N 1 1 271.404 3.363 20 30 CGEDMO C=CCCCCC[N@H+]1CCC(F)(F)[C@@H](C(=O)OCC)C1 ZINC001307971832 933026796 /nfs/dbraw/zinc/02/67/96/933026796.db2.gz KKHIWFRNGDIKGE-CYBMUJFWSA-N 1 1 289.366 3.253 20 30 CGEDMO C[N@H+](Cc1ccc(F)c2cccnc12)[C@H]1CCC[C@@H]1C#N ZINC001307994531 933030580 /nfs/dbraw/zinc/03/05/80/933030580.db2.gz PPDWJRCVORQZMM-WBMJQRKESA-N 1 1 283.350 3.498 20 30 CGEDMO C[N@@H+](Cc1ccc(F)c2cccnc12)[C@H]1CCC[C@@H]1C#N ZINC001307994531 933030583 /nfs/dbraw/zinc/03/05/83/933030583.db2.gz PPDWJRCVORQZMM-WBMJQRKESA-N 1 1 283.350 3.498 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC001308066573 933042318 /nfs/dbraw/zinc/04/23/18/933042318.db2.gz CTSKQXSCMOCKCH-OXQOHEQNSA-N 1 1 293.410 3.088 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001308124759 933053576 /nfs/dbraw/zinc/05/35/76/933053576.db2.gz PVDVXFNIBFICSN-SOUVJXGZSA-N 1 1 296.455 3.434 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C)cc1 ZINC001308138047 933054933 /nfs/dbraw/zinc/05/49/33/933054933.db2.gz UMCQGFLOZWVZBZ-MRXNPFEDSA-N 1 1 272.392 3.364 20 30 CGEDMO C#Cc1cccc(C[NH2+]Cc2nc(-c3ccccc3)c[nH]2)c1 ZINC001308434987 933110034 /nfs/dbraw/zinc/11/00/34/933110034.db2.gz CAJCCARYQDYXAU-UHFFFAOYSA-N 1 1 287.366 3.348 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2nccn2-c2ccccc2)s1 ZINC001308440279 933111718 /nfs/dbraw/zinc/11/17/18/933111718.db2.gz IYACGFCJXQRHND-UHFFFAOYSA-N 1 1 294.383 3.095 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1OCC(C)C)C1CC1 ZINC001308772930 933173734 /nfs/dbraw/zinc/17/37/34/933173734.db2.gz ARIRWKUDUIDSEO-UHFFFAOYSA-N 1 1 257.377 3.319 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1OCC(C)C)C1CC1 ZINC001308772930 933173739 /nfs/dbraw/zinc/17/37/39/933173739.db2.gz ARIRWKUDUIDSEO-UHFFFAOYSA-N 1 1 257.377 3.319 20 30 CGEDMO C=CCC[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)C(=O)OCC ZINC001308770000 933173785 /nfs/dbraw/zinc/17/37/85/933173785.db2.gz PGKPGJKZHVSNRU-XGUBFFRZSA-N 1 1 265.397 3.053 20 30 CGEDMO C#Cc1ccc(C[N@H+]2Cc3ccccc3O[C@H](C)C2)cc1 ZINC001308793335 933178151 /nfs/dbraw/zinc/17/81/51/933178151.db2.gz QFBHPJZNNAPCFP-OAHLLOKOSA-N 1 1 277.367 3.451 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2N(C)C)[C@@H](C)[C@H]1C ZINC001308826826 933185726 /nfs/dbraw/zinc/18/57/26/933185726.db2.gz UEWJOEVFUDEAOH-RDBSUJKOSA-N 1 1 271.408 3.101 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](CC(C)(C)CC(=O)OCC)C1 ZINC001308856492 933190898 /nfs/dbraw/zinc/19/08/98/933190898.db2.gz XLURTTCHNOTXGY-AWEZNQCLSA-N 1 1 267.413 3.254 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCNC(=O)c1ccoc1CCC ZINC001316859296 933238981 /nfs/dbraw/zinc/23/89/81/933238981.db2.gz NCYWVCZISMKRGR-UHFFFAOYSA-N 1 1 298.814 3.036 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCNC(=O)c1ccoc1CCC ZINC001316859296 933238985 /nfs/dbraw/zinc/23/89/85/933238985.db2.gz NCYWVCZISMKRGR-UHFFFAOYSA-N 1 1 298.814 3.036 20 30 CGEDMO C=CCCC[N@H+](CC)CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001317481640 933252499 /nfs/dbraw/zinc/25/24/99/933252499.db2.gz KXDOHRDWNNIJAY-YESZJQIVSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C(C)(C)C)[C@H]1C ZINC001316786057 933464972 /nfs/dbraw/zinc/46/49/72/933464972.db2.gz AAMAFVVMILFOFL-ZNMIVQPWSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)c1ccoc1Cl ZINC001316822249 933475456 /nfs/dbraw/zinc/47/54/56/933475456.db2.gz YAZLHXHHOHHLKP-LBPRGKRZSA-N 1 1 298.814 3.339 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1ccco1 ZINC001316801575 933482938 /nfs/dbraw/zinc/48/29/38/933482938.db2.gz UFOSURXIGKFHOO-HNNXBMFYSA-N 1 1 290.407 3.172 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001316981151 933505104 /nfs/dbraw/zinc/50/51/04/933505104.db2.gz RSEMYIYXPGNWET-QGZVFWFLSA-N 1 1 286.419 3.042 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001316986478 933505632 /nfs/dbraw/zinc/50/56/32/933505632.db2.gz PVPGWKVPJFISGV-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)CC)C1 ZINC001317135092 933538041 /nfs/dbraw/zinc/53/80/41/933538041.db2.gz GKTNWJUGBVRFHS-HNNXBMFYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)C=C(C)C)C1 ZINC001317134038 933538088 /nfs/dbraw/zinc/53/80/88/933538088.db2.gz SIEMFGACBVUCEY-CVEARBPZSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@@H+]1CC(C)C ZINC001317199181 933551088 /nfs/dbraw/zinc/55/10/88/933551088.db2.gz QAIGFCVMLIRGEG-IAGOWNOFSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C/C(C)=C\CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CC(=C)C)C1 ZINC001317208794 933553836 /nfs/dbraw/zinc/55/38/36/933553836.db2.gz LIXRCJSCJMYXCD-CBNFBOEASA-N 1 1 290.451 3.302 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)CCC2CC2)C1 ZINC001317371413 933579265 /nfs/dbraw/zinc/57/92/65/933579265.db2.gz SKVFULAXOWXFIB-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)CCCCCC)C1 ZINC001317381905 933581181 /nfs/dbraw/zinc/58/11/81/933581181.db2.gz SMHCFARCESHQIR-INIZCTEOSA-N 1 1 280.456 3.456 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)C2(CCC)CCC2)C1 ZINC001317379824 933582617 /nfs/dbraw/zinc/58/26/17/933582617.db2.gz SECWUZGAFRKTQQ-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@H+](C)CCNC(=O)c1occc1C(C)C ZINC001317457720 933597508 /nfs/dbraw/zinc/59/75/08/933597508.db2.gz ZEPZXDVTYYVVBM-UHFFFAOYSA-N 1 1 278.396 3.031 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)c1ccc2c(c1)CCC=C2 ZINC001317491072 933601955 /nfs/dbraw/zinc/60/19/55/933601955.db2.gz OBXZEBFGFMFPSR-UHFFFAOYSA-N 1 1 298.430 3.274 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)CC(C)=C(C)C)C(C)C ZINC001317697869 933634285 /nfs/dbraw/zinc/63/42/85/933634285.db2.gz HADWNDZYFMNRIP-UHFFFAOYSA-N 1 1 266.429 3.136 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)c1ccc(C)cc1)C(C)C ZINC001317709475 933635783 /nfs/dbraw/zinc/63/57/83/933635783.db2.gz OTXMVPIGYLNDOQ-UHFFFAOYSA-N 1 1 288.435 3.401 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)C[C@@H]2C=CCC2)C1 ZINC001317749674 933642505 /nfs/dbraw/zinc/64/25/05/933642505.db2.gz IMMDERCEAUXAEH-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](CCNC(=O)CC2=CCCCC2)C1 ZINC001317778074 933650241 /nfs/dbraw/zinc/65/02/41/933650241.db2.gz FUIJNGNMIKDACC-QGZVFWFLSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](CCNC(=O)/C(C)=C/CC)C1 ZINC001317778671 933650283 /nfs/dbraw/zinc/65/02/83/933650283.db2.gz LHTLUIFZWITCKM-AHQMPEJBSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001317794380 933650895 /nfs/dbraw/zinc/65/08/95/933650895.db2.gz BCEPUSWHLQKTKB-MRXNPFEDSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H](C)C2CCCC2)C1 ZINC001317808704 933653983 /nfs/dbraw/zinc/65/39/83/933653983.db2.gz GWNIXPXULKEDCF-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)/C(C)=C\CC)C1 ZINC001317830047 933656306 /nfs/dbraw/zinc/65/63/06/933656306.db2.gz FNHSUHRACYTGFG-JWULFMQYSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)CC(C)(C)CC)C1 ZINC001317839716 933657463 /nfs/dbraw/zinc/65/74/63/933657463.db2.gz KHLCOVYCXHIMCY-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H](C[N@@H+](C)CCCCCF)C1 ZINC001317848873 933658824 /nfs/dbraw/zinc/65/88/24/933658824.db2.gz PXHCHVOXDAKLSF-OAHLLOKOSA-N 1 1 298.446 3.119 20 30 CGEDMO C=C(C)C[N@H+](C)CC1CCN(C(=O)/C(C)=C/CC)CC1 ZINC001317869425 933660756 /nfs/dbraw/zinc/66/07/56/933660756.db2.gz TTWKIEVSKJKPQW-VIZOYTHASA-N 1 1 278.440 3.089 20 30 CGEDMO C=C(C)CCC(=O)N1CCC(C[N@H+](C)CC(C)C)CC1 ZINC001317869322 933661531 /nfs/dbraw/zinc/66/15/31/933661531.db2.gz BCROFVHDEDFVCH-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CCC[N@H+](CCCCC)C1 ZINC001317943392 933667335 /nfs/dbraw/zinc/66/73/35/933667335.db2.gz IWFAWBSFKYJOAZ-OAHLLOKOSA-N 1 1 266.429 3.114 20 30 CGEDMO C#CCCCC(=O)N[C@H]1CCC[N@H+](CC/C=C/CCC)C1 ZINC001317969426 933669040 /nfs/dbraw/zinc/66/90/40/933669040.db2.gz XHRUNAOKBVQHOC-OZSKJFCKSA-N 1 1 290.451 3.117 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@](C)(CC)CCC ZINC001318220514 933696208 /nfs/dbraw/zinc/69/62/08/933696208.db2.gz ZSGUSWWOPSJZLT-BQFCYCMXSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)/C=C(\C)CC)C1 ZINC001318399667 933719106 /nfs/dbraw/zinc/71/91/06/933719106.db2.gz IJKUDOSHTYKJMW-OPYKRYAKSA-N 1 1 278.440 3.230 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N(C)[C@H]1CC[N@@H+](CCCCCF)C1 ZINC001318430344 933723483 /nfs/dbraw/zinc/72/34/83/933723483.db2.gz ZHAQNURMCFKMQU-DOTOQJQBSA-N 1 1 298.446 3.261 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@](C)(C=C)CC)C1 ZINC001318426013 933724846 /nfs/dbraw/zinc/72/48/46/933724846.db2.gz RPXWRFJBYCRHNP-NVXWUHKLSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)CC2(C)CC2)C1 ZINC001318480550 933732172 /nfs/dbraw/zinc/73/21/72/933732172.db2.gz XQCBMJXCVCICAS-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)CCC2(C)CC2)C1 ZINC001318485272 933734363 /nfs/dbraw/zinc/73/43/63/933734363.db2.gz PWVHKCMLOZZUEX-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C#CC[N@H+](Cc1ccc(Br)s1)CC1CC1 ZINC001319666132 933911065 /nfs/dbraw/zinc/91/10/65/933911065.db2.gz DLAYUUYJXILBPM-UHFFFAOYSA-N 1 1 284.222 3.356 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@H]1CC[C@H](SC)C1 ZINC001319646691 933907671 /nfs/dbraw/zinc/90/76/71/933907671.db2.gz PBIAVGIKLXFWED-GJZGRUSLSA-N 1 1 290.432 3.283 20 30 CGEDMO C#CC[N@H+](CCSc1ccc(F)cc1)CC1CC1 ZINC001319666759 933911456 /nfs/dbraw/zinc/91/14/56/933911456.db2.gz NFTUSNOJSDVYAB-UHFFFAOYSA-N 1 1 263.381 3.263 20 30 CGEDMO C#CC[N@H+](Cc1cncc2ccccc21)CC1CC1 ZINC001319727282 933923492 /nfs/dbraw/zinc/92/34/92/933923492.db2.gz QCOHSHKTALBCMW-UHFFFAOYSA-N 1 1 250.345 3.080 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OC(F)F)cc1)CC1CC1 ZINC001319728767 933923739 /nfs/dbraw/zinc/92/37/39/933923739.db2.gz CVXFCCNWBPBWSS-UHFFFAOYSA-N 1 1 265.303 3.133 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)C=C(CC)CC ZINC001319991083 933974735 /nfs/dbraw/zinc/97/47/35/933974735.db2.gz YXJAFMFRFWZMIC-UHFFFAOYSA-N 1 1 266.429 3.089 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc(Cl)s2)C1 ZINC001320376603 934038940 /nfs/dbraw/zinc/03/89/40/934038940.db2.gz HAJXQEWXWMDAMK-SNVBAGLBSA-N 1 1 257.786 3.178 20 30 CGEDMO N#Cc1c(C[N@H+]2CC3CCC2CC3)cn2ccccc12 ZINC001320559550 934065203 /nfs/dbraw/zinc/06/52/03/934065203.db2.gz NBTBQTWTIXELRC-UHFFFAOYSA-N 1 1 265.360 3.185 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2OC)C1 ZINC001321130787 934154306 /nfs/dbraw/zinc/15/43/06/934154306.db2.gz RUXYIOHVPNBTLP-CQSZACIVSA-N 1 1 281.783 3.126 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2OC)C1 ZINC001321130787 934154310 /nfs/dbraw/zinc/15/43/10/934154310.db2.gz RUXYIOHVPNBTLP-CQSZACIVSA-N 1 1 281.783 3.126 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)c1ccc(C(F)F)cc1 ZINC001322270150 934267695 /nfs/dbraw/zinc/26/76/95/934267695.db2.gz VHXOOXSZYVERFC-LBPRGKRZSA-N 1 1 296.361 3.250 20 30 CGEDMO C=CC[N@H+](C)C[C@H](C)NC(=O)c1cccc2ccccc21 ZINC001322294725 934273534 /nfs/dbraw/zinc/27/35/34/934273534.db2.gz VUBPHWITCPQVLC-AWEZNQCLSA-N 1 1 282.387 3.076 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC2CCC1CC2 ZINC001322305395 934274774 /nfs/dbraw/zinc/27/47/74/934274774.db2.gz DVYZRKBZKDUUNW-OTBWCIGPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)COC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC001323117302 934365546 /nfs/dbraw/zinc/36/55/46/934365546.db2.gz OANOUJZOVMVNFV-KRWDZBQOSA-N 1 1 287.403 3.469 20 30 CGEDMO C=C(C)COC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC001323117302 934365553 /nfs/dbraw/zinc/36/55/53/934365553.db2.gz OANOUJZOVMVNFV-KRWDZBQOSA-N 1 1 287.403 3.469 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](CC)CC(C)C ZINC001323334544 934384292 /nfs/dbraw/zinc/38/42/92/934384292.db2.gz ICJBKQYKWPZIJX-HZPDHXFCSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CNC(=O)C1CC(C(C)(C)C)C1 ZINC001323371573 934390576 /nfs/dbraw/zinc/39/05/76/934390576.db2.gz MMUVGLWXNVMJNI-GPANFISMSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](C2CCN(C(=O)CC)CC2)C1 ZINC001323627364 934414398 /nfs/dbraw/zinc/41/43/98/934414398.db2.gz BWUZABPXQJJYDX-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO CC(C)[N@H+](CCC#N)CCc1ccc(F)cc1F ZINC001323659353 934415600 /nfs/dbraw/zinc/41/56/00/934415600.db2.gz JEHPSGUMQUIGIA-UHFFFAOYSA-N 1 1 252.308 3.131 20 30 CGEDMO CC(C)[N@@H+](CCC#N)CCc1ccc(F)cc1F ZINC001323659353 934415606 /nfs/dbraw/zinc/41/56/06/934415606.db2.gz JEHPSGUMQUIGIA-UHFFFAOYSA-N 1 1 252.308 3.131 20 30 CGEDMO C=C(C)C[N@H+](CCNC(=O)[C@@H]1C[C@H]1C)C1CCCCCC1 ZINC001323721072 934421978 /nfs/dbraw/zinc/42/19/78/934421978.db2.gz DLPRGTHKWZCDGH-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@]2(CCN(C(=O)CC3CC3)C2)C1 ZINC001323837002 934431476 /nfs/dbraw/zinc/43/14/76/934431476.db2.gz YOTCHYMPOQQNGA-YJBOKZPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@@H](CC)C(C)C)C2)C1 ZINC001323873199 934434868 /nfs/dbraw/zinc/43/48/68/934434868.db2.gz OAULTPTYEWOIHF-AEFFLSMTSA-N 1 1 292.467 3.169 20 30 CGEDMO CCCCCCC[NH+]1CC(N(C)C(=O)c2[nH]ccc2C)C1 ZINC001323922613 934439242 /nfs/dbraw/zinc/43/92/42/934439242.db2.gz ZXYSRSXWKYXOHS-UHFFFAOYSA-N 1 1 291.439 3.050 20 30 CGEDMO C#CC[N@H+](CCc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC001324677361 934546778 /nfs/dbraw/zinc/54/67/78/934546778.db2.gz UHZFNXZCIUGYRP-UHFFFAOYSA-N 1 1 283.293 3.225 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@@H](COC)C(C)C ZINC001473137827 937794478 /nfs/dbraw/zinc/79/44/78/937794478.db2.gz ZFKDALDQRZQAKO-INIZCTEOSA-N 1 1 277.383 3.180 20 30 CGEDMO C=CCOc1ccc(C[N@H+](CC(C)=O)C(C)(C)C)cc1 ZINC001473265250 937799268 /nfs/dbraw/zinc/79/92/68/937799268.db2.gz RBJOALQUMZQTQL-UHFFFAOYSA-N 1 1 275.392 3.441 20 30 CGEDMO C#CC[C@H]([NH2+]CCN1C[C@@H](C)C[C@H](C)C1)c1ccccc1 ZINC001473332477 937801880 /nfs/dbraw/zinc/80/18/80/937801880.db2.gz ZAMITTOMLVIHKN-LNLFQRSKSA-N 1 1 284.447 3.319 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C)[C@H]2CC)cc1 ZINC001473410885 937805971 /nfs/dbraw/zinc/80/59/71/937805971.db2.gz OTALDLMLJYTGQH-RHSMWYFYSA-N 1 1 284.403 3.117 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H]1Cc2cc(OC)ccc2O1 ZINC001473434345 937806740 /nfs/dbraw/zinc/80/67/40/937806740.db2.gz VDCTWLBLVGXGLR-GDBMZVCRSA-N 1 1 273.376 3.039 20 30 CGEDMO C=C(CC)C[N@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC001473439446 937807308 /nfs/dbraw/zinc/80/73/08/937807308.db2.gz DWCYZQSBCGOHJN-AWEZNQCLSA-N 1 1 262.372 3.302 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@H](C)C2CC2)C1 ZINC001324925865 934873076 /nfs/dbraw/zinc/87/30/76/934873076.db2.gz GAAKVOBBKINZBP-CJNGLKHVSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](C)C2CC2)C1 ZINC001324925865 934873083 /nfs/dbraw/zinc/87/30/83/934873083.db2.gz GAAKVOBBKINZBP-CJNGLKHVSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C/C(C)=C/CC(=O)NC[C@@]1(C)CCC[N@H+](CC(=C)C)C1 ZINC001324956516 934876581 /nfs/dbraw/zinc/87/65/81/934876581.db2.gz CDVPJUTURHZIFC-XSZFBFBBSA-N 1 1 290.451 3.303 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)CCCCCC)C1 ZINC001324974518 934879477 /nfs/dbraw/zinc/87/94/77/934879477.db2.gz AOSYIVJDOTVCOO-GOSISDBHSA-N 1 1 292.467 3.198 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OC)C1 ZINC001325221622 934895487 /nfs/dbraw/zinc/89/54/87/934895487.db2.gz BFQIJXREOPYRHM-CQSZACIVSA-N 1 1 281.783 3.126 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC001325583136 934919421 /nfs/dbraw/zinc/91/94/21/934919421.db2.gz WEDMXHGJIIPOST-GFCCVEGCSA-N 1 1 281.783 3.131 20 30 CGEDMO C=CC[C@H]1[N@@H+](CC(=O)OC(C)C)CCCC1(C)C ZINC001326465410 934981878 /nfs/dbraw/zinc/98/18/78/934981878.db2.gz KVKOMRXARTZTGD-CYBMUJFWSA-N 1 1 253.386 3.005 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@]2(CC[N@H+](CCCC)C2)C1 ZINC001327532350 935067660 /nfs/dbraw/zinc/06/76/60/935067660.db2.gz WISDEVIVBGJYKC-GOSISDBHSA-N 1 1 292.467 3.457 20 30 CGEDMO C=C(Cl)COc1ccc([C@H](C)NCC[C@@H](C)[NH2+]C)cc1 ZINC001327840108 935089706 /nfs/dbraw/zinc/08/97/06/935089706.db2.gz MOUYYZFNBZACAY-KGLIPLIRSA-N 1 1 296.842 3.467 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)C(CC)(CC)CC)C(C)(C)C1 ZINC001328098566 935116480 /nfs/dbraw/zinc/11/64/80/935116480.db2.gz OLLVOYBNFWVUCU-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)C(CC)CC ZINC001328707036 935162255 /nfs/dbraw/zinc/16/22/55/935162255.db2.gz JVDYFSOZZMGUTR-CQSZACIVSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)C(CC)CC ZINC001328707036 935162258 /nfs/dbraw/zinc/16/22/58/935162258.db2.gz JVDYFSOZZMGUTR-CQSZACIVSA-N 1 1 286.847 3.098 20 30 CGEDMO CC#CCCCC(=O)N1CCC[C@H]1C[N@H+](C)C[C@@H](C)CC ZINC001328752490 935166229 /nfs/dbraw/zinc/16/62/29/935166229.db2.gz IIJXPEQTNGPBGY-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)CC(C)=C(C)C ZINC001328751966 935166760 /nfs/dbraw/zinc/16/67/60/935166760.db2.gz CVWPOIAWNCLULU-MRXNPFEDSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)C(=C)C ZINC001328752465 935166944 /nfs/dbraw/zinc/16/69/44/935166944.db2.gz IABUFWQJNWTWMG-OAHLLOKOSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)CCC1(C)CC1 ZINC001328780859 935168742 /nfs/dbraw/zinc/16/87/42/935168742.db2.gz OVANWVGLKZIEMR-AWEZNQCLSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CCC1(C)CC1 ZINC001328780859 935168747 /nfs/dbraw/zinc/16/87/47/935168747.db2.gz OVANWVGLKZIEMR-AWEZNQCLSA-N 1 1 298.858 3.242 20 30 CGEDMO C=CCCC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(C)cc1C ZINC001329396358 935211768 /nfs/dbraw/zinc/21/17/68/935211768.db2.gz KKHQPRWMQXFZKM-MRXNPFEDSA-N 1 1 288.435 3.206 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)CC(C)=C(C)C ZINC001329525994 935224061 /nfs/dbraw/zinc/22/40/61/935224061.db2.gz YXCNUYSKDVQCIS-HNNXBMFYSA-N 1 1 266.429 3.136 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)CNC(=O)C[C@H](C)c1ccccc1C ZINC001329571077 935228487 /nfs/dbraw/zinc/22/84/87/935228487.db2.gz GIOFEFGCIMYXOO-HOTGVXAUSA-N 1 1 288.435 3.111 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](F)C(C)C ZINC001329938224 935256057 /nfs/dbraw/zinc/25/60/57/935256057.db2.gz PKJXWYGHOGOEOE-CVEARBPZSA-N 1 1 298.446 3.308 20 30 CGEDMO CCCCCC[N@H+]1C[C@@H](NC(=O)C#CC(C)C)C(C)(C)C1 ZINC001330195307 935275713 /nfs/dbraw/zinc/27/57/13/935275713.db2.gz YMOLDLRYWHWPEO-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)C(C)(C)CC=C)C(C)(C)C1 ZINC001330244722 935279933 /nfs/dbraw/zinc/27/99/33/935279933.db2.gz VFMKUSYEQHLVCB-HNNXBMFYSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)/C=C(/C)CC)C[C@@]2(C)C1 ZINC001330525989 935291857 /nfs/dbraw/zinc/29/18/57/935291857.db2.gz UIIPECYOIREKMA-ZBLDBLJQSA-N 1 1 290.451 3.089 20 30 CGEDMO CS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cccc(F)c2C#N)C1 ZINC001330600741 935301739 /nfs/dbraw/zinc/30/17/39/935301739.db2.gz MEICOMCFZAUDCX-CHWSQXEVSA-N 1 1 278.396 3.413 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CC1)c1ccc(C(F)(F)F)nc1 ZINC001331836677 935413022 /nfs/dbraw/zinc/41/30/22/935413022.db2.gz KEXOCORKSJPPQK-VIFPVBQESA-N 1 1 269.270 3.055 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2)[C@@H]1C ZINC001332162906 935445249 /nfs/dbraw/zinc/44/52/49/935445249.db2.gz YQSYFZAMVUHBFI-RDJZCZTQSA-N 1 1 286.419 3.236 20 30 CGEDMO CC[C@H]([NH2+]Cc1cncc(C#N)c1)c1cc(F)ccc1F ZINC001332700717 935483657 /nfs/dbraw/zinc/48/36/57/935483657.db2.gz OKAPWOQGCPWGIP-INIZCTEOSA-N 1 1 287.313 3.472 20 30 CGEDMO C#CCC[N@H+](C)CCN(C(=O)[C@H]1CCCC[C@@H]1C)C(C)C ZINC001332724664 935484924 /nfs/dbraw/zinc/48/49/24/935484924.db2.gz UMRVOFRDVUISPM-IRXDYDNUSA-N 1 1 292.467 3.005 20 30 CGEDMO CC[C@]1(C)C[N@@H+](CCCCC2(C#N)CCC2)CCO1 ZINC001332970096 935501027 /nfs/dbraw/zinc/50/10/27/935501027.db2.gz WZPQIGVOPVCXPP-OAHLLOKOSA-N 1 1 264.413 3.351 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CNC(=O)C/C=C(/C)C=C)CC1 ZINC001333376787 935531136 /nfs/dbraw/zinc/53/11/36/935531136.db2.gz DEXWZVSARBUUGQ-PXNMLYILSA-N 1 1 288.435 3.223 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)C[C@H]2CC[C@H](C)C2)CC1 ZINC001333395297 935532329 /nfs/dbraw/zinc/53/23/29/935532329.db2.gz NYSQBFIWWFBTPM-RDJZCZTQSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CCC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001337178495 936242039 /nfs/dbraw/zinc/24/20/39/936242039.db2.gz QLLBIEGPRDFSQL-MRXNPFEDSA-N 1 1 288.435 3.370 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001337648789 936277007 /nfs/dbraw/zinc/27/70/07/936277007.db2.gz GTPBTCXBWWUZEL-CQSZACIVSA-N 1 1 285.309 3.482 20 30 CGEDMO C#CC[N@H+](CCCOc1ccccc1C)C(C)(C)C ZINC001473808588 937822760 /nfs/dbraw/zinc/82/27/60/937822760.db2.gz HIUSIEKKSUWCBD-UHFFFAOYSA-N 1 1 259.393 3.498 20 30 CGEDMO C#CCCCCCC[N@H+]1CCc2c(C#N)c(N)sc2C1 ZINC001473858036 937825154 /nfs/dbraw/zinc/82/51/54/937825154.db2.gz JCAPQMKODUISRZ-UHFFFAOYSA-N 1 1 287.432 3.144 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1CCOc1ccccc1Br ZINC001473865778 937825929 /nfs/dbraw/zinc/82/59/29/937825929.db2.gz YGYZYQUTGIUYBD-LBPRGKRZSA-N 1 1 296.208 3.478 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1CCOc1ccccc1Br ZINC001473865778 937825930 /nfs/dbraw/zinc/82/59/30/937825930.db2.gz YGYZYQUTGIUYBD-LBPRGKRZSA-N 1 1 296.208 3.478 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC001473865223 937826190 /nfs/dbraw/zinc/82/61/90/937826190.db2.gz NFABYKJVMZLZHI-ZFWWWQNUSA-N 1 1 290.794 3.096 20 30 CGEDMO COc1ccc(C[NH2+]Cc2cc(C#N)ccc2F)c(F)c1 ZINC001474267786 937847169 /nfs/dbraw/zinc/84/71/69/937847169.db2.gz AGEILOHMPNVHML-UHFFFAOYSA-N 1 1 288.297 3.135 20 30 CGEDMO C#CC[N@H+](Cc1cnc(F)cc1C)C1CCCCC1 ZINC001474340088 937852693 /nfs/dbraw/zinc/85/26/93/937852693.db2.gz VJTHEIIHQKUKHF-UHFFFAOYSA-N 1 1 260.356 3.297 20 30 CGEDMO C=CCC[C@@H]([NH2+][C@@H]1CCc2ccccc2C1)C(=O)OCC ZINC001474528641 937864702 /nfs/dbraw/zinc/86/47/02/937864702.db2.gz SHCQMIQRGCREBP-IAGOWNOFSA-N 1 1 287.403 3.031 20 30 CGEDMO CC[C@@H](C)[C@H](C[N@@H+](C)CCc1cccc(C#N)c1)OC ZINC001474674044 937874636 /nfs/dbraw/zinc/87/46/36/937874636.db2.gz BQFCIUWKHCOSIV-PBHICJAKSA-N 1 1 274.408 3.094 20 30 CGEDMO C=C/C(C)=C/CC(=O)N(C)C[C@@H]1CC[N@H+]1CCC(=C)C ZINC001479237564 937917865 /nfs/dbraw/zinc/91/78/65/937917865.db2.gz TYJRBVZQFFLFMF-NHKNYXOTSA-N 1 1 276.424 3.008 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCCC[C@H]1C[N@@H+](C)C(C)C ZINC001479739090 937924984 /nfs/dbraw/zinc/92/49/84/937924984.db2.gz SRHSCHRQJKBKHI-CVEARBPZSA-N 1 1 280.456 3.310 20 30 CGEDMO C=C(C)C[N@@H+](C)CCCNC(=O)c1ccc(C)cc1Cl ZINC001479797529 937925966 /nfs/dbraw/zinc/92/59/66/937925966.db2.gz GETVEPNNDCWIEF-UHFFFAOYSA-N 1 1 294.826 3.276 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)c1ccoc1C1CC1 ZINC001479852245 937927264 /nfs/dbraw/zinc/92/72/64/937927264.db2.gz BTEDNPRQNLMUQE-UHFFFAOYSA-N 1 1 290.407 3.175 20 30 CGEDMO C=CCC[N@@H+](CC)CCCNC(=O)c1cc(C)cc(C)c1 ZINC001479859751 937927586 /nfs/dbraw/zinc/92/75/86/937927586.db2.gz SCVBVWVZHVNKGJ-UHFFFAOYSA-N 1 1 288.435 3.321 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)[C@@H]2C[C@H]2C)CC1 ZINC001479990288 937930673 /nfs/dbraw/zinc/93/06/73/937930673.db2.gz VPJHQHMUAPOOGT-IUODEOHRSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)CCC ZINC001480096995 937932273 /nfs/dbraw/zinc/93/22/73/937932273.db2.gz CLQIIJVVYGISPL-IYBDPMFKSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(C)(C)F)C1 ZINC001480183907 937934057 /nfs/dbraw/zinc/93/40/57/937934057.db2.gz GQQVDGWZCHYWAO-HUUCEWRRSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)CCCC)C1 ZINC001480252602 937935278 /nfs/dbraw/zinc/93/52/78/937935278.db2.gz OEKZSNVNBUPUFK-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)C(C)(C)C)C1 ZINC001480256410 937935308 /nfs/dbraw/zinc/93/53/08/937935308.db2.gz FDOINSQLFSCWSO-LSDHHAIUSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](CNC(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001480267221 937935428 /nfs/dbraw/zinc/93/54/28/937935428.db2.gz JCJMCMCXAWHVLR-HOTGVXAUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H](C)CCC ZINC001480311047 937936256 /nfs/dbraw/zinc/93/62/56/937936256.db2.gz CMROHKVKBHOMRW-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001480383663 937937892 /nfs/dbraw/zinc/93/78/92/937937892.db2.gz RZBQATZBJLSSJT-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@@H](CC)CCCC)C1 ZINC001480728584 937942490 /nfs/dbraw/zinc/94/24/90/937942490.db2.gz TVZRJFLGNBIQOO-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=C1CC(C)(C(=O)NCC[N@H+](CC)CC2CCCCC2)C1 ZINC001493017070 937946313 /nfs/dbraw/zinc/94/63/13/937946313.db2.gz VDBNHIHHPAOTTG-UHFFFAOYSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)CC[N@@H+](CCC)CCNC(=O)[C@H]1CC[C@@H](C)C1 ZINC001493317090 937949782 /nfs/dbraw/zinc/94/97/82/937949782.db2.gz VDHWYEKWSVNPDO-CVEARBPZSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CCC(=O)N(CCC)[C@H]1CC[N@@H+](CCC)C1 ZINC001493955351 937952497 /nfs/dbraw/zinc/95/24/97/937952497.db2.gz IAJSYEXAKJIOTQ-HNNXBMFYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CC=CCC2)C1 ZINC001493985938 937952662 /nfs/dbraw/zinc/95/26/62/937952662.db2.gz OYBUXXJVLPDSDJ-IRXDYDNUSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)CC(C)(C)C)C1 ZINC001493992539 937952763 /nfs/dbraw/zinc/95/27/63/937952763.db2.gz PFGKZSKTAXXMEB-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](C)C(CC)CC)C1 ZINC001494029503 937953191 /nfs/dbraw/zinc/95/31/91/937953191.db2.gz IKWUZXWTPGSIAS-LSDHHAIUSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)C2(C)CCCC2)C1 ZINC001494149825 937953588 /nfs/dbraw/zinc/95/35/88/937953588.db2.gz MZXDLZDYGRWZSV-AWEZNQCLSA-N 1 1 298.858 3.100 20 30 CGEDMO C=CCC1(C(=O)N2CCC(C[N@H+](C)CC)CC2)CCCC1 ZINC001494214162 937953985 /nfs/dbraw/zinc/95/39/85/937953985.db2.gz GKBKOFMTLQFOKR-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@H+](C)CC1CCN(C(=O)[C@@H](F)C(C)C)CC1 ZINC001494205880 937954114 /nfs/dbraw/zinc/95/41/14/937954114.db2.gz VCGUUZFCDSXSEQ-INIZCTEOSA-N 1 1 298.446 3.117 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)CCCCC)C1 ZINC001494299491 937954180 /nfs/dbraw/zinc/95/41/80/937954180.db2.gz FHLDCEOXVCRNER-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)CCCCC)C1 ZINC001494299491 937954181 /nfs/dbraw/zinc/95/41/81/937954181.db2.gz FHLDCEOXVCRNER-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@H]1CCC[N@@H+](CC=C(C)C)C1 ZINC001494324232 937954250 /nfs/dbraw/zinc/95/42/50/937954250.db2.gz CRKDBGMUACRRIW-HOTGVXAUSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@](C)(F)CCCC)C1 ZINC001494834643 937956642 /nfs/dbraw/zinc/95/66/42/937956642.db2.gz QWJNFNFKFAIZFY-GDBMZVCRSA-N 1 1 284.419 3.014 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)CC2CCCCCC2)C1 ZINC001494913043 937957284 /nfs/dbraw/zinc/95/72/84/937957284.db2.gz KOAIPDTVYDHGHR-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)CCCC2CCCC2)C1 ZINC001494922537 937957321 /nfs/dbraw/zinc/95/73/21/937957321.db2.gz AJPXWGDDLOVNHK-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)CC(C)(C)CC)C1 ZINC001494899572 937957420 /nfs/dbraw/zinc/95/74/20/937957420.db2.gz GORPHJRBFYFCAQ-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)CCCC)CC2 ZINC001495600602 937959942 /nfs/dbraw/zinc/95/99/42/937959942.db2.gz ZBEDKSRCYPTTTH-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO CN(CC[N@@H+](C)CCCC(C)(C)C)C(=O)C#CC(C)(C)C ZINC001496698572 937963642 /nfs/dbraw/zinc/96/36/42/937963642.db2.gz NYJPIXUVBCFYBK-UHFFFAOYSA-N 1 1 294.483 3.252 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)[C@@H](C)C(CC)CC ZINC001496733615 937964057 /nfs/dbraw/zinc/96/40/57/937964057.db2.gz LVUIGBHZNAIVCG-AWEZNQCLSA-N 1 1 268.445 3.025 20 30 CGEDMO C=CCCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCC(C)(C)C)C1 ZINC001496852275 937964531 /nfs/dbraw/zinc/96/45/31/937964531.db2.gz AMBUVGFNSULDEV-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1F ZINC001498296410 937968860 /nfs/dbraw/zinc/96/88/60/937968860.db2.gz XYIOEMJEFMKQAN-AWEZNQCLSA-N 1 1 292.398 3.119 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1F ZINC001498296410 937968861 /nfs/dbraw/zinc/96/88/61/937968861.db2.gz XYIOEMJEFMKQAN-AWEZNQCLSA-N 1 1 292.398 3.119 20 30 CGEDMO C=C(C)CC[N@@H+](CCNC(C)=O)C1CCCCCC1 ZINC001499516651 937973834 /nfs/dbraw/zinc/97/38/34/937973834.db2.gz VZIWRWCEKKBNHA-UHFFFAOYSA-N 1 1 266.429 3.114 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCCC ZINC001500135331 937975999 /nfs/dbraw/zinc/97/59/99/937975999.db2.gz JFWQCEVWOSMIGG-CVEARBPZSA-N 1 1 278.440 3.208 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)C[C@@H](C)CC)C1 ZINC001500492563 937977787 /nfs/dbraw/zinc/97/77/87/937977787.db2.gz KUSLXCVGRZZYDE-DOTOQJQBSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC1CC1)C2 ZINC001501156129 937978922 /nfs/dbraw/zinc/97/89/22/937978922.db2.gz LCNNRTMVKQYYOO-BJWYYQGGSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCC(C)C ZINC001501372792 937979289 /nfs/dbraw/zinc/97/92/89/937979289.db2.gz DEMNMIRWSAMQPJ-SJORKVTESA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC(CC)CC ZINC001501403063 937979408 /nfs/dbraw/zinc/97/94/08/937979408.db2.gz CONSYQXJUIQYQP-SJORKVTESA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)c2ccco2)CC1 ZINC001502105219 937981005 /nfs/dbraw/zinc/98/10/05/937981005.db2.gz QOLKTIMLGUESCF-GJZGRUSLSA-N 1 1 290.407 3.219 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCN(C)C(=O)c1ccsc1 ZINC001502158365 937981527 /nfs/dbraw/zinc/98/15/27/937981527.db2.gz PBFZAGZXLJBHSM-CQSZACIVSA-N 1 1 294.464 3.497 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)c2cccs2)C[C@H]1C ZINC001502900770 937983639 /nfs/dbraw/zinc/98/36/39/937983639.db2.gz VCSMIUPDGSXBNG-KGLIPLIRSA-N 1 1 292.448 3.297 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)/C=C\C(C)(C)C)C[C@@H]1C ZINC001502907187 937983710 /nfs/dbraw/zinc/98/37/10/937983710.db2.gz UWOSSTVHCIITKE-KQYOJSHESA-N 1 1 298.858 3.310 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)/C=C\C(C)(C)C)C[C@@H]1C ZINC001502907187 937983711 /nfs/dbraw/zinc/98/37/11/937983711.db2.gz UWOSSTVHCIITKE-KQYOJSHESA-N 1 1 298.858 3.310 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[N@@H+](CCC(C)(C)C)[C@@H](C)C1 ZINC001502906872 937983837 /nfs/dbraw/zinc/98/38/37/937983837.db2.gz RXMBJCKPCQASBO-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(CC)CC)C[C@@H]1C ZINC001503013389 937984009 /nfs/dbraw/zinc/98/40/09/937984009.db2.gz FLBROQSDPOVAPB-GJZGRUSLSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1occc1C ZINC001505419892 937985220 /nfs/dbraw/zinc/98/52/20/937985220.db2.gz XTPMMTRPGYOGLP-HNNXBMFYSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCC1 ZINC001505431984 937985322 /nfs/dbraw/zinc/98/53/22/937985322.db2.gz CNSZDDCTAURPIS-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)CCCC ZINC001505448611 937985463 /nfs/dbraw/zinc/98/54/63/937985463.db2.gz USMKJJNKMRAXEU-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)/C=C(/C)C1CC1 ZINC001505879916 937987520 /nfs/dbraw/zinc/98/75/20/937987520.db2.gz WHHCMIGPBMHZGT-QNCSTDJMSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001505924155 937988090 /nfs/dbraw/zinc/98/80/90/937988090.db2.gz JNGPXZBRPSDLSO-HZPDHXFCSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)C(C)(CC)CC ZINC001506585327 937990918 /nfs/dbraw/zinc/99/09/18/937990918.db2.gz STXJMMRXQSQWGC-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)/C(C)=C/CC)C2)C1 ZINC001506859672 937992083 /nfs/dbraw/zinc/99/20/83/937992083.db2.gz VUTKAYQHYJTPKU-AWNIVKPZSA-N 1 1 296.842 3.020 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)/C(C)=C/CC)C2)C1 ZINC001506859672 937992084 /nfs/dbraw/zinc/99/20/84/937992084.db2.gz VUTKAYQHYJTPKU-AWNIVKPZSA-N 1 1 296.842 3.020 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)c2sccc2C)CC1 ZINC001506954136 937992927 /nfs/dbraw/zinc/99/29/27/937992927.db2.gz QQKYMANZCSGSTA-UHFFFAOYSA-N 1 1 292.448 3.169 20 30 CGEDMO C#CC[N@H+](C)C1CCN(C(=O)C[C@@H](C)CCCCC)CC1 ZINC001506964158 937993322 /nfs/dbraw/zinc/99/33/22/937993322.db2.gz FOGHFNWDGHZWLD-INIZCTEOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)CC[N@H+](C)C1CCN(C(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001506959979 937993330 /nfs/dbraw/zinc/99/33/30/937993330.db2.gz AWVOZBYWBGYDRT-CRAIPNDOSA-N 1 1 290.451 3.066 20 30 CGEDMO CCCCCCCC(=O)OC[C@H]1CC[N@H+]1C1CCOCC1 ZINC001517127114 938011099 /nfs/dbraw/zinc/01/10/99/938011099.db2.gz YPVNSHMNCVDSFT-MRXNPFEDSA-N 1 1 297.439 3.143 20 30 CGEDMO C#CC[N@@H+](C[C@@H]1C[C@@H]2CCC[C@H]2O1)C1CCCCC1 ZINC001559514181 938228175 /nfs/dbraw/zinc/22/81/75/938228175.db2.gz UKZDZFYOZBYYBA-BHYGNILZSA-N 1 1 261.409 3.212 20 30 CGEDMO C#CCCCCCC[N@@H+](Cc1ccccc1)C[C@H](C)O ZINC001559558064 938229447 /nfs/dbraw/zinc/22/94/47/938229447.db2.gz NUOPVHGZGBLOTA-KRWDZBQOSA-N 1 1 273.420 3.453 20 30 CGEDMO C#CCOCC[N@@H+]1CCC[C@H](C)[C@@H]1c1ccc(C)cc1 ZINC001559559254 938229481 /nfs/dbraw/zinc/22/94/81/938229481.db2.gz MZCSBPAECDBVKS-FUHWJXTLSA-N 1 1 271.404 3.418 20 30 CGEDMO C#CC[N@H+](Cc1c(C)cc(C#N)cc1C)CC1CC1 ZINC001559658983 938232128 /nfs/dbraw/zinc/23/21/28/938232128.db2.gz XAPRWNJXPIALOK-UHFFFAOYSA-N 1 1 252.361 3.020 20 30 CGEDMO CC(C)(C)C1=CC[N@@H+](C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC001559719406 938233435 /nfs/dbraw/zinc/23/34/35/938233435.db2.gz FEWMHDCANIOTMV-QGZVFWFLSA-N 1 1 284.403 3.270 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@@H+](CC)CCC2CC2)cc1 ZINC001559728594 938233649 /nfs/dbraw/zinc/23/36/49/938233649.db2.gz UMQYEUFNUJKMJI-UHFFFAOYSA-N 1 1 284.403 3.119 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC001559911495 938238502 /nfs/dbraw/zinc/23/85/02/938238502.db2.gz LGGZHPZTIGBJIT-SFHVURJKSA-N 1 1 288.435 3.086 20 30 CGEDMO CC(C)[C@@](O)(C[N@H+]1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC001559991377 938241307 /nfs/dbraw/zinc/24/13/07/938241307.db2.gz RNPDXKZRYAQOKW-WMZOPIPTSA-N 1 1 286.419 3.156 20 30 CGEDMO C=C(C)CC[N@@H+](CC(C)C)CC(C)(C)C(=O)OC ZINC001560104053 938244450 /nfs/dbraw/zinc/24/44/50/938244450.db2.gz INNGONSJTWFUQH-UHFFFAOYSA-N 1 1 255.402 3.110 20 30 CGEDMO C=CCCCC[N@H+]1C[C@H]2COC[C@@]2(c2ccccc2)C1 ZINC001560135610 938244819 /nfs/dbraw/zinc/24/48/19/938244819.db2.gz VLEGVQPSBZHRIO-ZWKOTPCHSA-N 1 1 271.404 3.243 20 30 CGEDMO C#CC[N@H+](CCc1cccc2c1OC(F)(F)O2)C(C)(C)C ZINC001560156284 938245503 /nfs/dbraw/zinc/24/55/03/938245503.db2.gz IYZRZTBOORHGMD-UHFFFAOYSA-N 1 1 295.329 3.284 20 30 CGEDMO C#C[C@H]1CCCC[N@@H+]1Cc1ccc([Si](C)(C)C)cc1 ZINC001560209717 938247269 /nfs/dbraw/zinc/24/72/69/938247269.db2.gz VRADIXZHGWCKJJ-INIZCTEOSA-N 1 1 271.480 3.220 20 30 CGEDMO CC(C)(C)[C@@H]1CC[N@H+](Cc2cccc(C#N)c2F)CCO1 ZINC001560235200 938248595 /nfs/dbraw/zinc/24/85/95/938248595.db2.gz CJNDCNNWLWWBBV-HNNXBMFYSA-N 1 1 290.382 3.334 20 30 CGEDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2F)CCO1 ZINC001560235200 938248596 /nfs/dbraw/zinc/24/85/96/938248596.db2.gz CJNDCNNWLWWBBV-HNNXBMFYSA-N 1 1 290.382 3.334 20 30 CGEDMO C=CCOc1ccc(C[NH2+]CC(=C)Cl)cc1OC ZINC001560349086 938254563 /nfs/dbraw/zinc/25/45/63/938254563.db2.gz WGXBQIDZFGXROY-UHFFFAOYSA-N 1 1 267.756 3.102 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2cc(F)cnc2Cl)cc1F ZINC001560849588 938279622 /nfs/dbraw/zinc/27/96/22/938279622.db2.gz XOSOFBVZWDEOCV-UHFFFAOYSA-N 1 1 293.704 3.175 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CCS[C@H](C)C1 ZINC001560979431 938287611 /nfs/dbraw/zinc/28/76/11/938287611.db2.gz IWDQEERAVDAWBM-GFCCVEGCSA-N 1 1 295.835 3.289 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CCS[C@H](C)C1 ZINC001560979431 938287612 /nfs/dbraw/zinc/28/76/12/938287612.db2.gz IWDQEERAVDAWBM-GFCCVEGCSA-N 1 1 295.835 3.289 20 30 CGEDMO C=CCC1(C(=O)NCC[N@H+](CC)CC=C(C)C)CCC1 ZINC001480998653 957700400 /nfs/dbraw/zinc/70/04/00/957700400.db2.gz VZEIDUMCUYPZTL-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCCC(=O)NCC[N@H+](C)[C@H](CC)c1ccc(F)cc1 ZINC001317440803 960435245 /nfs/dbraw/zinc/43/52/45/960435245.db2.gz PVFGJGNPKCMLBC-MRXNPFEDSA-N 1 1 292.398 3.291 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)CC ZINC001570816049 960462572 /nfs/dbraw/zinc/46/25/72/960462572.db2.gz PMNCRTGJHRYBQJ-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC(=O)NCC[N@H+](C)CC[C@H]1CCC[C@H](C)C1 ZINC001567273725 960586168 /nfs/dbraw/zinc/58/61/68/960586168.db2.gz KQDCMYMMZCOTPF-JKSUJKDBSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)C(C)(C)C ZINC001567370821 960593047 /nfs/dbraw/zinc/59/30/47/960593047.db2.gz ZCUIOHRUBXWPKA-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO CCCCCCCNC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC001565062572 960732264 /nfs/dbraw/zinc/73/22/64/960732264.db2.gz XBRVNRUBYUVTHV-AWEZNQCLSA-N 1 1 283.460 3.129 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)C(C)(C)C ZINC001565819412 960835674 /nfs/dbraw/zinc/83/56/74/960835674.db2.gz FXNPUJRRRFRQSD-HUUCEWRRSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@H](C=C)c1ccccc1 ZINC001565835420 960839956 /nfs/dbraw/zinc/83/99/56/960839956.db2.gz MQAHJZFLDFZNJL-FUHWJXTLSA-N 1 1 298.430 3.065 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC(C)=C(C)C)C[C@@H]2C1 ZINC001566047635 960866418 /nfs/dbraw/zinc/86/64/18/960866418.db2.gz KAMSBCCOEGAZIX-SJORKVTESA-N 1 1 290.451 3.089 20 30 CGEDMO CC#CC[N@H+]1CC[C@H](NC(=O)C[C@H](C)CC(C)(C)C)[C@H]1C ZINC001566104012 960879817 /nfs/dbraw/zinc/87/98/17/960879817.db2.gz HTQJAFXZVSCDFD-XHSDSOJGSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@H+](CCC(C)C)[C@@H]1C ZINC001566104323 960880241 /nfs/dbraw/zinc/88/02/41/960880241.db2.gz UAAQWBWIOWXXJK-CABCVRRESA-N 1 1 280.456 3.214 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)CC(C)(C)C)CC(C)(C)C1 ZINC001566127619 960896442 /nfs/dbraw/zinc/89/64/42/960896442.db2.gz CVFPAHSDFZINQX-HNNXBMFYSA-N 1 1 292.467 3.053 20 30 CGEDMO CC#CC[N@@H+](C)CCCNC(=O)C1(CC(C)C)CCCC1 ZINC001566500848 960937904 /nfs/dbraw/zinc/93/79/04/960937904.db2.gz OXCUHVNSMVOCPK-UHFFFAOYSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCC1(C(=O)NCCC[N@H+](C)CC(=C)C)CCCC1 ZINC001566522173 960954866 /nfs/dbraw/zinc/95/48/66/960954866.db2.gz RNBBULKWLQSZHT-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CC[N@@H+](CC)CCCNC(=O)c1coc2ccccc21 ZINC001566576989 960958264 /nfs/dbraw/zinc/95/82/64/960958264.db2.gz IBTIKPXAALXFFP-UHFFFAOYSA-N 1 1 286.375 3.061 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)C(C)C)C1 ZINC001566675134 960983782 /nfs/dbraw/zinc/98/37/82/960983782.db2.gz NVTNAGNVCDXJHF-JKSUJKDBSA-N 1 1 282.472 3.439 20 30 CGEDMO C#CCCCCCC(=O)N1CCC[C@H](C[N@H+](C)CCC)C1 ZINC001566741887 961012412 /nfs/dbraw/zinc/01/24/12/961012412.db2.gz KNRSHAJIAOFOQN-QGZVFWFLSA-N 1 1 292.467 3.151 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H]2CCCC[N@@H+]2CC=C(C)C)C1 ZINC001566925902 961064103 /nfs/dbraw/zinc/06/41/03/961064103.db2.gz RUITWXDSZGRGGB-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC(=O)N[C@H](C)[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001566956426 961069196 /nfs/dbraw/zinc/06/91/96/961069196.db2.gz AHGOOTUHIITPHV-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCC(C)C)C1 ZINC001566958957 961072989 /nfs/dbraw/zinc/07/29/89/961072989.db2.gz WSAISNFUYKPQIF-CVEARBPZSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCCC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CCC=C)C1 ZINC001566966219 961075501 /nfs/dbraw/zinc/07/55/01/961075501.db2.gz SEEGSAHRSVWKTM-HOTGVXAUSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccsc2C)C1 ZINC001567192280 961130033 /nfs/dbraw/zinc/13/00/33/961130033.db2.gz WJFDCXNKLVIITD-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)CC2CCC2)C1 ZINC001567190321 961134033 /nfs/dbraw/zinc/13/40/33/961134033.db2.gz WWDAOZPVLKCVCA-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC(=O)NCC[N@H+](C)[C@H]1CCCc2ccccc21 ZINC001567273743 961268195 /nfs/dbraw/zinc/26/81/95/961268195.db2.gz LCBPLCQCRFCTPT-KRWDZBQOSA-N 1 1 286.419 3.078 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)C1(C)C(C)(C)C1(C)C ZINC001567322538 961270940 /nfs/dbraw/zinc/27/09/40/961270940.db2.gz AQBOZJLZQWZYPD-UHFFFAOYSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)[C@H]1CCCC[C@@H]1C ZINC001567342682 961293861 /nfs/dbraw/zinc/29/38/61/961293861.db2.gz RKWVAUSWTMKWFQ-HOTGVXAUSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@@H+](CCNC(=O)C1CC2(CCC2)C1)C1CC1 ZINC001567447568 961357855 /nfs/dbraw/zinc/35/78/55/961357855.db2.gz WRDOBPCZGAIMRN-UHFFFAOYSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)c1ccccc1F)C(C)C ZINC001567636198 961379034 /nfs/dbraw/zinc/37/90/34/961379034.db2.gz WCLDAEHSBXXPKV-UHFFFAOYSA-N 1 1 292.398 3.232 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)[C@@H]1CC[C@H]2C[C@H]2C1)C(C)C ZINC001567645112 961386905 /nfs/dbraw/zinc/38/69/05/961386905.db2.gz JNMQXHGIPMYUAC-BBWFWOEESA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)C(C)=C2CCC2)C1 ZINC001567681067 961391837 /nfs/dbraw/zinc/39/18/37/961391837.db2.gz BRMUHRSIONQASA-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)/C=C/C(C)(C)C)C1 ZINC001567786413 961425947 /nfs/dbraw/zinc/42/59/47/961425947.db2.gz JUVNDYCFFFPVDC-ZHACJKMWSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)C2(CC(C)C)CCCC2)C1 ZINC001567810194 961430870 /nfs/dbraw/zinc/43/08/70/961430870.db2.gz KTMARDQPPSMPGH-UHFFFAOYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)CCCC ZINC001567853527 961446763 /nfs/dbraw/zinc/44/67/63/961446763.db2.gz ZLDXZSCZSJQTBF-ULQDDVLXSA-N 1 1 292.467 3.454 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)CC(F)(F)F)C1 ZINC001567869695 961447859 /nfs/dbraw/zinc/44/78/59/961447859.db2.gz IGJMUTGELWMXRP-LBPRGKRZSA-N 1 1 294.361 3.100 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)CCC2CC2)C1 ZINC001567905772 961455091 /nfs/dbraw/zinc/45/50/91/961455091.db2.gz DNGGKADTUYKRCX-ZBFHGGJFSA-N 1 1 278.440 3.064 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)CCCCCCCC)C1 ZINC001567927757 961461812 /nfs/dbraw/zinc/46/18/12/961461812.db2.gz UQLDZHCUFDAPCL-QGZVFWFLSA-N 1 1 292.467 3.293 20 30 CGEDMO CC#CCCCC(=O)N(CC)[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC001567940339 961464875 /nfs/dbraw/zinc/46/48/75/961464875.db2.gz FAKUXTHFDJTYQQ-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)C2(CC(C)C)CCCC2)C1 ZINC001567923692 961466486 /nfs/dbraw/zinc/46/64/86/961466486.db2.gz DFJQKULBCQIXGT-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)C[C@@H]1CC=CCC1 ZINC001569133884 961697551 /nfs/dbraw/zinc/69/75/51/961697551.db2.gz WXQZUKWEETWTSA-HZPDHXFCSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)C(C)=C1CCC1 ZINC001569358554 961740695 /nfs/dbraw/zinc/74/06/95/961740695.db2.gz ZBEACDGQZQOXIK-XJKSGUPXSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H]1CC[N@H+]1CCC1CCCC1 ZINC001569360219 961742390 /nfs/dbraw/zinc/74/23/90/961742390.db2.gz VRQBZFNGYNFBFZ-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1CC[N@H+]1CC1=CCCCC1 ZINC001569375381 961757600 /nfs/dbraw/zinc/75/76/00/961757600.db2.gz XXAPMDFHOHIXHV-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO CCCC[N@@H+](CCNC(=O)[C@@H](C)C#N)C1CCCCCC1 ZINC001569448706 961767901 /nfs/dbraw/zinc/76/79/01/961767901.db2.gz ZWISTFKDMPCHLB-HNNXBMFYSA-N 1 1 293.455 3.087 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)C[C@H](C)CC(C)C)C1 ZINC001569651296 961811186 /nfs/dbraw/zinc/81/11/86/961811186.db2.gz OPZRDQZRYJJWGR-NVXWUHKLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@]1(C)CCC[N@@H+](CC(=C)C)C1 ZINC001569719207 961832186 /nfs/dbraw/zinc/83/21/86/961832186.db2.gz JRQRZPMCRDEKCR-ROUUACIJSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2C/C=C\Cl ZINC001569910871 961870142 /nfs/dbraw/zinc/87/01/42/961870142.db2.gz XJQRACUWFURPPT-PVCXWLERSA-N 1 1 296.842 3.161 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@H](C)CCC)[C@@H]2C1 ZINC001569918879 961874309 /nfs/dbraw/zinc/87/43/09/961874309.db2.gz XTWUUTVKWZJQRA-IXDOHACOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC ZINC001569909260 961875542 /nfs/dbraw/zinc/87/55/42/961875542.db2.gz BSAMDMAMKUZGLB-LSDHHAIUSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H](CCC)C(C)C)CC1 ZINC001570183338 961925329 /nfs/dbraw/zinc/92/53/29/961925329.db2.gz IOLNLMZXFNRJGU-JKSUJKDBSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001570205903 961925946 /nfs/dbraw/zinc/92/59/46/961925946.db2.gz BBCDNPBCZZOTKW-MWDXBVQZSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC(=C)C)C2 ZINC001570273767 961944767 /nfs/dbraw/zinc/94/47/67/961944767.db2.gz VLTATFHJDMEEEQ-GOSISDBHSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)CC)C(C)(C)C1 ZINC001570391026 961963470 /nfs/dbraw/zinc/96/34/70/961963470.db2.gz CLCAEMGQSZRPMK-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)CC1(C)C ZINC001570391454 961963702 /nfs/dbraw/zinc/96/37/02/961963702.db2.gz MFRVKCDGGCETMW-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@@H+](CCF)[C@@H](C)C2)CCCC1 ZINC001570449384 961973245 /nfs/dbraw/zinc/97/32/45/961973245.db2.gz PLEHCRPBODQAJX-GJZGRUSLSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)CC[N@H+](CC)CC1CCN(C(=O)[C@H]2C[C@@H]2C)CC1 ZINC001570499054 961973977 /nfs/dbraw/zinc/97/39/77/961973977.db2.gz AYOKFAZMGMGHRV-RDJZCZTQSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCC1 ZINC001570532236 961985059 /nfs/dbraw/zinc/98/50/59/961985059.db2.gz BXRRWNDVELQPCA-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)c1ccsc1 ZINC001570524694 961986606 /nfs/dbraw/zinc/98/66/06/961986606.db2.gz ZDRFXRLUCINEJN-CYBMUJFWSA-N 1 1 298.839 3.037 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)c1ccsc1 ZINC001570524694 961986620 /nfs/dbraw/zinc/98/66/20/961986620.db2.gz ZDRFXRLUCINEJN-CYBMUJFWSA-N 1 1 298.839 3.037 20 30 CGEDMO C=C/C(C)=C\CC(=O)N1CCC[C@H]1C[N@@H+](C)CC(=C)Cl ZINC001570539070 961987751 /nfs/dbraw/zinc/98/77/51/961987751.db2.gz XHPYJBQQPNXDDI-ODDCISTRSA-N 1 1 296.842 3.184 20 30 CGEDMO C=C/C(C)=C\CC(=O)N1CCC[C@H]1C[N@H+](C)CC(=C)Cl ZINC001570539070 961987767 /nfs/dbraw/zinc/98/77/67/961987767.db2.gz XHPYJBQQPNXDDI-ODDCISTRSA-N 1 1 296.842 3.184 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@H](C)[N@H+](C)C[C@H](C)CC(C)C)C1 ZINC001570734459 962058286 /nfs/dbraw/zinc/05/82/86/962058286.db2.gz UTIDRIDWWVWMNF-ZBFHGGJFSA-N 1 1 294.483 3.461 20 30 CGEDMO CC(C)C#CC(=O)NC[C@H](C)[N@@H+](C)CC1CCCCCC1 ZINC001570708816 962059680 /nfs/dbraw/zinc/05/96/80/962059680.db2.gz KQSRGALSVTXOHC-INIZCTEOSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CC[N@H+](C)[C@H](C)CNC(=O)[C@@H](CCC)CC1CCCC1 ZINC001570739687 962067968 /nfs/dbraw/zinc/06/79/68/962067968.db2.gz GIANKUVCANQFEJ-WBVHZDCISA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)C1CC(C(C)(C)C)C1 ZINC001570754076 962079186 /nfs/dbraw/zinc/07/91/86/962079186.db2.gz WLWJVHHHBNXGSX-QQFBHYJXSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)CC1CC1 ZINC001570815377 962088924 /nfs/dbraw/zinc/08/89/24/962088924.db2.gz BFEYVXFQPUARFR-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)CC(C)C)C(C)(C)C1 ZINC001570907641 962109263 /nfs/dbraw/zinc/10/92/63/962109263.db2.gz LJNIZEOTTBKCHE-OAHLLOKOSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCC(=O)N1CC2(C1)CCC[N@H+]([C@@H](C)CCC=C)C2 ZINC001571031328 962115957 /nfs/dbraw/zinc/11/59/57/962115957.db2.gz GDMXMEGKLIJXPX-INIZCTEOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCC)C[C@@H]2C1 ZINC001571024125 962116865 /nfs/dbraw/zinc/11/68/65/962116865.db2.gz UHQDWJWLUOCYCL-OWCLPIDISA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CCC(=O)N(C)C[C@@H](C)[NH2+]C/C(Cl)=C/Cl ZINC001571389277 962149002 /nfs/dbraw/zinc/14/90/02/962149002.db2.gz IECPZLBMTKVHHN-HBZGRHIISA-N 1 1 293.238 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@H](C)C(C)C)CCC[C@H]12 ZINC001571502783 962165199 /nfs/dbraw/zinc/16/51/99/962165199.db2.gz IXGOSFLSHGEOPU-IJEWVQPXSA-N 1 1 298.858 3.144 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@H](C)C(C)C)CCC[C@H]12 ZINC001571502783 962165212 /nfs/dbraw/zinc/16/52/12/962165212.db2.gz IXGOSFLSHGEOPU-IJEWVQPXSA-N 1 1 298.858 3.144 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@]2(NC(=O)C(C)(C)F)CCC[C@H]12 ZINC001571494949 962165533 /nfs/dbraw/zinc/16/55/33/962165533.db2.gz KLQUTRZEAYWZLF-ZQIUZPCESA-N 1 1 296.430 3.202 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)CC(C)(C)C=C)[C@@H]1C ZINC001571519607 962167832 /nfs/dbraw/zinc/16/78/32/962167832.db2.gz USQBKKVABVIYAM-LSDHHAIUSA-N 1 1 278.440 3.134 20 30 CGEDMO C#CCCCCC(=O)N[C@@]12CCC[C@H]1[N@@H+](CCCC)CC2 ZINC001571498936 962170350 /nfs/dbraw/zinc/17/03/50/962170350.db2.gz KTFGJYXATRBVBE-SJLPKXTDSA-N 1 1 290.451 3.093 20 30 CGEDMO Cc1ccccc1[C@]1(F)CC[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000337422927 214073813 /nfs/dbraw/zinc/07/38/13/214073813.db2.gz XJGBBXOCYOPJLZ-SFHVURJKSA-N 1 1 297.377 3.276 20 30 CGEDMO Cc1ccccc1[C@]1(F)CC[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000337422927 214073816 /nfs/dbraw/zinc/07/38/16/214073816.db2.gz XJGBBXOCYOPJLZ-SFHVURJKSA-N 1 1 297.377 3.276 20 30 CGEDMO CCOc1ccc([C@H](C)[NH2+]C[C@H](C#N)CCC#N)cc1 ZINC000589839394 346814366 /nfs/dbraw/zinc/81/43/66/346814366.db2.gz CNTSASJVUCPIGW-KBPBESRZSA-N 1 1 271.364 3.179 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1Cl)[C@H](C)COC ZINC000621317668 349494982 /nfs/dbraw/zinc/49/49/82/349494982.db2.gz RWSCFQSOWVGIGK-GFCCVEGCSA-N 1 1 253.773 3.363 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1Cl)[C@H](C)COC ZINC000621317668 349494984 /nfs/dbraw/zinc/49/49/84/349494984.db2.gz RWSCFQSOWVGIGK-GFCCVEGCSA-N 1 1 253.773 3.363 20 30 CGEDMO CC[C@H]1CC[C@@H](C)[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000124586424 187144887 /nfs/dbraw/zinc/14/48/87/187144887.db2.gz DDEIFFOHDUZALA-CJNGLKHVSA-N 1 1 285.391 3.150 20 30 CGEDMO CC(=O)c1ccc(C#N)c(NCCC[N@H+](C)CC(C)C)c1 ZINC000651362676 398233384 /nfs/dbraw/zinc/23/33/84/398233384.db2.gz FHGOVXUOLGNEBV-UHFFFAOYSA-N 1 1 287.407 3.151 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@@H](O)C23CCCC3)cc1 ZINC000590122753 346828649 /nfs/dbraw/zinc/82/86/49/346828649.db2.gz MDYSYGWOQJNPOW-QGZVFWFLSA-N 1 1 298.430 3.367 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000590208328 346836245 /nfs/dbraw/zinc/83/62/45/346836245.db2.gz CVZCQNZOTSXKBZ-GOSISDBHSA-N 1 1 284.403 3.258 20 30 CGEDMO C[NH+](C)Cc1ccc(NC(=O)CC2(C#N)CC2)cc1Cl ZINC000590357442 346843907 /nfs/dbraw/zinc/84/39/07/346843907.db2.gz NJJRWZYNQOKTMW-UHFFFAOYSA-N 1 1 291.782 3.034 20 30 CGEDMO CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000590748312 346871611 /nfs/dbraw/zinc/87/16/11/346871611.db2.gz RMQCIVKRMMVPJT-WBVHZDCISA-N 1 1 286.419 3.081 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2C)CC1(C)C ZINC000590757654 346872277 /nfs/dbraw/zinc/87/22/77/346872277.db2.gz JVGRZTRDSNLMAX-INIZCTEOSA-N 1 1 272.392 3.114 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@H]1C ZINC000590757361 346872765 /nfs/dbraw/zinc/87/27/65/346872765.db2.gz SANUHBRXVOGUDL-PBHICJAKSA-N 1 1 286.419 3.345 20 30 CGEDMO COC[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C)CC1 ZINC000590765551 346873076 /nfs/dbraw/zinc/87/30/76/346873076.db2.gz XLIPUTJACCHAFL-HNNXBMFYSA-N 1 1 272.392 3.115 20 30 CGEDMO CC[N@@H+](CCCOc1cccc(C#N)c1)Cc1ccccn1 ZINC000126556539 187247481 /nfs/dbraw/zinc/24/74/81/187247481.db2.gz OUMKQTQMVJPYRH-UHFFFAOYSA-N 1 1 295.386 3.244 20 30 CGEDMO CC(C)[C@H]1CN(C)CC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000591849430 346942687 /nfs/dbraw/zinc/94/26/87/346942687.db2.gz XMWOCAPRYVLCCF-GOSISDBHSA-N 1 1 299.462 3.260 20 30 CGEDMO CC(C)[C@H]1C[N@H+](C)CCN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000591849430 346942691 /nfs/dbraw/zinc/94/26/91/346942691.db2.gz XMWOCAPRYVLCCF-GOSISDBHSA-N 1 1 299.462 3.260 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](C)CCN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000591849430 346942693 /nfs/dbraw/zinc/94/26/93/346942693.db2.gz XMWOCAPRYVLCCF-GOSISDBHSA-N 1 1 299.462 3.260 20 30 CGEDMO C[N@H+](CC#Cc1ccccc1Cl)CCc1ccncc1 ZINC000354901259 529823545 /nfs/dbraw/zinc/82/35/45/529823545.db2.gz RFAKMALKFBGQTG-UHFFFAOYSA-N 1 1 284.790 3.261 20 30 CGEDMO N#Cc1cnccc1C[NH+]1CCC2(CCCCC2)CC1 ZINC000592067040 346959449 /nfs/dbraw/zinc/95/94/49/346959449.db2.gz NWYPIEYXSOLOIT-UHFFFAOYSA-N 1 1 269.392 3.500 20 30 CGEDMO CCS[C@@H]1CCCC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592070564 346959928 /nfs/dbraw/zinc/95/99/28/346959928.db2.gz MJAYCAJNTRHLRP-OAHLLOKOSA-N 1 1 275.421 3.061 20 30 CGEDMO N#CC[C@@]1(O)CC[N@@H+](Cc2ccc(-c3cccs3)cc2)C1 ZINC000592154519 346968051 /nfs/dbraw/zinc/96/80/51/346968051.db2.gz SKHGFVOREFTYMA-QGZVFWFLSA-N 1 1 298.411 3.266 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CC2(CCCC2)O1 ZINC000592195548 346971471 /nfs/dbraw/zinc/97/14/71/346971471.db2.gz UAGILBYLJWLONH-OAHLLOKOSA-N 1 1 284.403 3.286 20 30 CGEDMO C[C@H]1CC2(C[N@H+]1Cc1cc(F)ccc1C#N)CCOCC2 ZINC000592184067 346970645 /nfs/dbraw/zinc/97/06/45/346970645.db2.gz YMMPTGLMURIAAD-ZDUSSCGKSA-N 1 1 288.366 3.088 20 30 CGEDMO COc1ccccc1C1([NH2+]Cc2cc(C#N)cs2)CC1 ZINC000592373837 346979544 /nfs/dbraw/zinc/97/95/44/346979544.db2.gz DIXIHQNGPOZFER-UHFFFAOYSA-N 1 1 284.384 3.407 20 30 CGEDMO C[N@H+](CCC#N)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000347480048 529869935 /nfs/dbraw/zinc/86/99/35/529869935.db2.gz SGFVTXXTYGGSTR-CABCVRRESA-N 1 1 258.365 3.078 20 30 CGEDMO C[N@@H+](CCC#N)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000347480048 529869936 /nfs/dbraw/zinc/86/99/36/529869936.db2.gz SGFVTXXTYGGSTR-CABCVRRESA-N 1 1 258.365 3.078 20 30 CGEDMO C=CCC[C@@H]([NH2+]C1CCC(F)(F)CC1)C(=O)OCC ZINC000592515189 346994757 /nfs/dbraw/zinc/99/47/57/346994757.db2.gz SQTAUBWHKYXKKH-GFCCVEGCSA-N 1 1 275.339 3.052 20 30 CGEDMO C[C@@H]1C[N@@H+](CC(C)(C)CCC#N)CC2(CCCC2)O1 ZINC000592532445 346997904 /nfs/dbraw/zinc/99/79/04/346997904.db2.gz NXYMWLZFKIOMFE-CQSZACIVSA-N 1 1 264.413 3.350 20 30 CGEDMO CC(C)(C)c1cc(C[NH+]2CCC(CCC#N)CC2)no1 ZINC000573603656 334950839 /nfs/dbraw/zinc/95/08/39/334950839.db2.gz JWQIULHNPLGJHD-UHFFFAOYSA-N 1 1 275.396 3.488 20 30 CGEDMO CC[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000593013648 347027337 /nfs/dbraw/zinc/02/73/37/347027337.db2.gz LBDZGVOBIYIUJW-ZDUSSCGKSA-N 1 1 287.363 3.479 20 30 CGEDMO C[C@]1(c2cccc(F)c2)CC[N@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000593040844 347031007 /nfs/dbraw/zinc/03/10/07/347031007.db2.gz MPSAELIJPNFXPZ-XYPHTWIQSA-N 1 1 272.367 3.481 20 30 CGEDMO CC[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)[C@@H](C)CO1 ZINC000593061378 347034690 /nfs/dbraw/zinc/03/46/90/347034690.db2.gz JSFVXJKNELERLJ-YOEHRIQHSA-N 1 1 286.419 3.487 20 30 CGEDMO C[C@@H]1C[N@@H+](CCOCCC#N)CCc2ccc(Cl)cc21 ZINC000593067489 347035056 /nfs/dbraw/zinc/03/50/56/347035056.db2.gz UBDGPKAXGSNYNZ-CYBMUJFWSA-N 1 1 292.810 3.232 20 30 CGEDMO CC[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@H]1CCCOC1 ZINC000593070528 347035422 /nfs/dbraw/zinc/03/54/22/347035422.db2.gz NQTKEBWHPQRCOF-KRWDZBQOSA-N 1 1 286.419 3.489 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccncc2C#N)CCc2ccccc21 ZINC000593090293 347038124 /nfs/dbraw/zinc/03/81/24/347038124.db2.gz HVQCMCSESYKUAE-AWEZNQCLSA-N 1 1 277.371 3.115 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000593041355 347032019 /nfs/dbraw/zinc/03/20/19/347032019.db2.gz RZHHEENKFWJVQQ-CZUORRHYSA-N 1 1 260.356 3.481 20 30 CGEDMO C[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)C2(CCC2)CO1 ZINC000593091363 347038339 /nfs/dbraw/zinc/03/83/39/347038339.db2.gz GXAVLASZSQFNDY-HNNXBMFYSA-N 1 1 276.424 3.494 20 30 CGEDMO C[NH2+]Cc1ccccc1CN[C@H](C)c1ccc(C#N)cc1F ZINC000593321295 347062516 /nfs/dbraw/zinc/06/25/16/347062516.db2.gz HSZYCIPIANHXDC-CYBMUJFWSA-N 1 1 297.377 3.268 20 30 CGEDMO CC(C)[N@@H+](CCOc1ccccc1C#N)CC1CC1 ZINC000042278440 344981801 /nfs/dbraw/zinc/98/18/01/344981801.db2.gz OUISVOJPUDZCNB-UHFFFAOYSA-N 1 1 258.365 3.057 20 30 CGEDMO C=CC[N@@H+](CC(=O)N(C)c1ccccc1)Cc1ccccc1 ZINC000045796687 345030442 /nfs/dbraw/zinc/03/04/42/345030442.db2.gz FOFJIGWKDABLAM-UHFFFAOYSA-N 1 1 294.398 3.338 20 30 CGEDMO C=CC[N@H+](CC(=O)N(C)c1ccccc1)Cc1ccccc1 ZINC000045796687 345030445 /nfs/dbraw/zinc/03/04/45/345030445.db2.gz FOFJIGWKDABLAM-UHFFFAOYSA-N 1 1 294.398 3.338 20 30 CGEDMO C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(C#N)cc1 ZINC000052580723 345105471 /nfs/dbraw/zinc/10/54/71/345105471.db2.gz WJRWGOABHACSDN-UHFFFAOYSA-N 1 1 295.342 3.141 20 30 CGEDMO C=CC[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000052638667 345106717 /nfs/dbraw/zinc/10/67/17/345106717.db2.gz FBMHPSSAFFHWBZ-STQMWFEESA-N 1 1 272.175 3.069 20 30 CGEDMO C[C@@H]1CC[C@@H]([N@@H+](CCO)Cc2ccc(C#N)cc2Cl)C1 ZINC000351630303 219153598 /nfs/dbraw/zinc/15/35/98/219153598.db2.gz QXEQXPKVVYVFFU-IUODEOHRSA-N 1 1 292.810 3.195 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H]1c1cccs1 ZINC000053096066 345114357 /nfs/dbraw/zinc/11/43/57/345114357.db2.gz KMTOVFZETOKKIL-AWEZNQCLSA-N 1 1 292.448 3.310 20 30 CGEDMO C=C(C)C[N@H+](CCC)CC(=O)Nc1ccccc1C ZINC000058040248 345192466 /nfs/dbraw/zinc/19/24/66/345192466.db2.gz DZPHJHWHGLBZIK-UHFFFAOYSA-N 1 1 260.381 3.222 20 30 CGEDMO CC[N@@H+](CCCC#N)[C@@H](C)Cc1ccc(OC)cc1 ZINC000066884876 345309986 /nfs/dbraw/zinc/30/99/86/345309986.db2.gz OPTHQWOFZBOUAA-AWEZNQCLSA-N 1 1 260.381 3.252 20 30 CGEDMO CN1CC[N@H+](Cc2ccccc2C#N)Cc2ccccc21 ZINC000069089630 345372991 /nfs/dbraw/zinc/37/29/91/345372991.db2.gz OBUWBSUWOPSEQC-UHFFFAOYSA-N 1 1 277.371 3.010 20 30 CGEDMO CN1CC[N@@H+](Cc2ccccc2C#N)Cc2ccccc21 ZINC000069089630 345372993 /nfs/dbraw/zinc/37/29/93/345372993.db2.gz OBUWBSUWOPSEQC-UHFFFAOYSA-N 1 1 277.371 3.010 20 30 CGEDMO CC(C)[N@@H+](CCC(=O)Nc1cccc(C#N)c1)C1CCC1 ZINC000072685713 345416291 /nfs/dbraw/zinc/41/62/91/345416291.db2.gz QKZGHGZKQXAFGI-UHFFFAOYSA-N 1 1 285.391 3.150 20 30 CGEDMO C[C@H](C[N@@H+](C)CCCSCC#N)c1ccccc1 ZINC000074990119 345489742 /nfs/dbraw/zinc/48/97/42/345489742.db2.gz SIAGFUATUBTHNT-CQSZACIVSA-N 1 1 262.422 3.369 20 30 CGEDMO C=CCCC[N@H+](C)Cc1nnc(-c2ccc(OC)cc2)o1 ZINC000076801734 345550954 /nfs/dbraw/zinc/55/09/54/345550954.db2.gz YLHJBYYHZSPZHN-UHFFFAOYSA-N 1 1 287.363 3.143 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@H](O)CC ZINC000075590920 345513685 /nfs/dbraw/zinc/51/36/85/345513685.db2.gz ONDDJZUXUFAMBJ-SNVBAGLBSA-N 1 1 259.802 3.160 20 30 CGEDMO C=CC[C@H](CC)NC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000623990404 349938055 /nfs/dbraw/zinc/93/80/55/349938055.db2.gz BRDIOSCJRWNTRF-HOCLYGCPSA-N 1 1 293.455 3.047 20 30 CGEDMO Cc1cc(F)cc2c1ncc(C#N)c2NCC[N@H+](C)C1CC1 ZINC000091459929 345815235 /nfs/dbraw/zinc/81/52/35/345815235.db2.gz WMOHOQOUPXIEIA-UHFFFAOYSA-N 1 1 298.365 3.060 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H](C(=O)OCC)C1 ZINC000091506551 345816949 /nfs/dbraw/zinc/81/69/49/345816949.db2.gz KPVASOFJUSTHIK-KBPBESRZSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCCN(c2nc(C)ns2)CC1 ZINC000091512648 345818108 /nfs/dbraw/zinc/81/81/08/345818108.db2.gz LKWYJUOXPNNYKQ-ZDUSSCGKSA-N 1 1 294.468 3.103 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[NH+]2[C@@H](C)CC[C@@H]2C)c1C#N ZINC000091072051 345803293 /nfs/dbraw/zinc/80/32/93/345803293.db2.gz XBGMWBLFXVEYKP-KBPBESRZSA-N 1 1 294.402 3.425 20 30 CGEDMO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000092063913 345829528 /nfs/dbraw/zinc/82/95/28/345829528.db2.gz BCOFGQFGZKVYHJ-SJCJKPOMSA-N 1 1 298.411 3.444 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](COCC)C2)cc1 ZINC000093838624 345889719 /nfs/dbraw/zinc/88/97/19/345889719.db2.gz DCLVZQHAFMREPL-MRXNPFEDSA-N 1 1 275.392 3.110 20 30 CGEDMO C[C@@H](CCO)[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000093303210 345874775 /nfs/dbraw/zinc/87/47/75/345874775.db2.gz WHKLIGBUEQWATF-INIZCTEOSA-N 1 1 294.398 3.331 20 30 CGEDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000093383487 345876986 /nfs/dbraw/zinc/87/69/86/345876986.db2.gz AQILYSJALLARSP-UNEWFSDZSA-N 1 1 294.402 3.359 20 30 CGEDMO C=C(Br)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000128661831 346042362 /nfs/dbraw/zinc/04/23/62/346042362.db2.gz CVXSUQZGKTUBRX-SECBINFHSA-N 1 1 285.141 3.154 20 30 CGEDMO C=CCC[NH+]1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000132562368 346072312 /nfs/dbraw/zinc/07/23/12/346072312.db2.gz DUBXJQFTHWPIIB-UHFFFAOYSA-N 1 1 286.206 3.087 20 30 CGEDMO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2C)s1 ZINC000165379205 346184145 /nfs/dbraw/zinc/18/41/45/346184145.db2.gz XRUFNSXDNBUSCP-GFCCVEGCSA-N 1 1 271.389 3.482 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H](CO)c1ccc(OC)cc1 ZINC000193347170 346269345 /nfs/dbraw/zinc/26/93/45/346269345.db2.gz HRQZILIZSJNJQJ-QGZVFWFLSA-N 1 1 277.408 3.407 20 30 CGEDMO N#CCC1(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)CC1 ZINC000228493912 346315151 /nfs/dbraw/zinc/31/51/51/346315151.db2.gz XJWFTYOLEGSKHZ-XHSDSOJGSA-N 1 1 276.424 3.086 20 30 CGEDMO C[C@H](C[N@@H+](C)C[C@H](C#N)CCC#N)c1ccccc1 ZINC000264875203 346405529 /nfs/dbraw/zinc/40/55/29/346405529.db2.gz PUSMBJHGFQZBPG-CABCVRRESA-N 1 1 255.365 3.165 20 30 CGEDMO CSC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000302296678 346441532 /nfs/dbraw/zinc/44/15/32/346441532.db2.gz ILHOGMZCNMCNIP-UHFFFAOYSA-N 1 1 264.369 3.025 20 30 CGEDMO N#Cc1cnc2ccccc2c1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000314785712 346482290 /nfs/dbraw/zinc/48/22/90/346482290.db2.gz YRVVZBDQRWYEHW-CYBMUJFWSA-N 1 1 292.386 3.003 20 30 CGEDMO N#CC1(C[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)CCCC1 ZINC000593649348 347099158 /nfs/dbraw/zinc/09/91/58/347099158.db2.gz AVMOTTRUGFFFBE-UHFFFAOYSA-N 1 1 298.365 3.185 20 30 CGEDMO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NCC2(C#N)CCCC2)C1 ZINC000593653756 347100448 /nfs/dbraw/zinc/10/04/48/347100448.db2.gz WNCKRMXGWMWJNL-WMZOPIPTSA-N 1 1 297.446 3.495 20 30 CGEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NCC2(C#N)CCCC2)C1 ZINC000593653756 347100450 /nfs/dbraw/zinc/10/04/50/347100450.db2.gz WNCKRMXGWMWJNL-WMZOPIPTSA-N 1 1 297.446 3.495 20 30 CGEDMO CC[N@H+](CCCN[C@H]1CC[C@H](C#N)C1)C1CCCCC1 ZINC000593661274 347101751 /nfs/dbraw/zinc/10/17/51/347101751.db2.gz VXLZHNGMSLSZNJ-HOTGVXAUSA-N 1 1 277.456 3.313 20 30 CGEDMO CC[N@@H+](CCCN[C@H]1CC[C@H](C#N)C1)C1CCCCC1 ZINC000593661274 347101756 /nfs/dbraw/zinc/10/17/56/347101756.db2.gz VXLZHNGMSLSZNJ-HOTGVXAUSA-N 1 1 277.456 3.313 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000397656156 346584064 /nfs/dbraw/zinc/58/40/64/346584064.db2.gz FZVSAWNTAGXXBT-GJZGRUSLSA-N 1 1 270.376 3.178 20 30 CGEDMO Cc1cnc(CC[N@H+](C)Cc2cccc(C#N)c2)c(C)c1 ZINC000401054750 346592091 /nfs/dbraw/zinc/59/20/91/346592091.db2.gz AXKKGCGHVUJDPO-UHFFFAOYSA-N 1 1 279.387 3.245 20 30 CGEDMO N#Cc1cccc2c1C[N@H+](C[C@@H]1CCOc3ccccc31)C2 ZINC000405095008 346602379 /nfs/dbraw/zinc/60/23/79/346602379.db2.gz QFSUVDFUKQEOEG-INIZCTEOSA-N 1 1 290.366 3.440 20 30 CGEDMO N#Cc1cccc2c1C[N@@H+](C[C@@H]1CCOc3ccccc31)C2 ZINC000405095008 346602385 /nfs/dbraw/zinc/60/23/85/346602385.db2.gz QFSUVDFUKQEOEG-INIZCTEOSA-N 1 1 290.366 3.440 20 30 CGEDMO C[C@@H]1C[C@@H](NCC(C)(C)C#N)CC[N@H+]1Cc1ccccc1 ZINC000405216995 346603476 /nfs/dbraw/zinc/60/34/76/346603476.db2.gz ITSUNYCBXPLDRO-WBVHZDCISA-N 1 1 285.435 3.179 20 30 CGEDMO CC[N@@H+](C)C[C@@H]1CCN([C@@H](C#N)c2ccc(Cl)cc2)C1 ZINC000585719897 346727284 /nfs/dbraw/zinc/72/72/84/346727284.db2.gz ZRDNZVVURYXTQI-BBRMVZONSA-N 1 1 291.826 3.178 20 30 CGEDMO C[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)[C@H](C)C1 ZINC000119190974 370652343 /nfs/dbraw/zinc/65/23/43/370652343.db2.gz LFRDHCASOBWAKO-HZPDHXFCSA-N 1 1 299.418 3.054 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@H](C3CC3)C2)ccc1C#N ZINC000589209353 346790523 /nfs/dbraw/zinc/79/05/23/346790523.db2.gz HNVFNXYBWAFCPG-INIZCTEOSA-N 1 1 270.376 3.189 20 30 CGEDMO CC(C)[N@H+](C)C[C@@H](C)Nc1nc(C(C)(C)C)ccc1C#N ZINC000589605898 346802632 /nfs/dbraw/zinc/80/26/32/346802632.db2.gz BIAGXKGIEDMILN-CYBMUJFWSA-N 1 1 288.439 3.391 20 30 CGEDMO N#CCCCC[C@@H]([NH3+])c1nc(-c2ccccc2Cl)no1 ZINC000593944634 347121631 /nfs/dbraw/zinc/12/16/31/347121631.db2.gz YMMQURIIWQQQMO-GFCCVEGCSA-N 1 1 290.754 3.474 20 30 CGEDMO N#Cc1ccc(C[NH2+]C2(c3ccccc3F)CCC2)nc1 ZINC000594015315 347137240 /nfs/dbraw/zinc/13/72/40/347137240.db2.gz JCQPXYXLOFBHEA-UHFFFAOYSA-N 1 1 281.334 3.261 20 30 CGEDMO N#Cc1cc(F)c(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c(F)c1 ZINC000594603424 347200772 /nfs/dbraw/zinc/20/07/72/347200772.db2.gz VDFHYSVTALZVEM-HUUCEWRRSA-N 1 1 291.345 3.265 20 30 CGEDMO N#CC1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCCC1 ZINC000594607035 347202000 /nfs/dbraw/zinc/20/20/00/347202000.db2.gz QHWMMMYCMIQIFD-CQSZACIVSA-N 1 1 285.347 3.256 20 30 CGEDMO C[C@@H](C[NH+]1CCCCC1)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594494880 347178500 /nfs/dbraw/zinc/17/85/00/347178500.db2.gz KBFSGYNLVAGVRN-INIZCTEOSA-N 1 1 299.462 3.452 20 30 CGEDMO CC(C)[N@@H+]1CC[C@H](CNCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594496113 347178526 /nfs/dbraw/zinc/17/85/26/347178526.db2.gz HHAVRRYBTHIZTD-QGZVFWFLSA-N 1 1 299.462 3.308 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](CNCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594496113 347178530 /nfs/dbraw/zinc/17/85/30/347178530.db2.gz HHAVRRYBTHIZTD-QGZVFWFLSA-N 1 1 299.462 3.308 20 30 CGEDMO COc1ccc(OC)c(C[NH2+]CC2(C#N)CCCCC2)c1 ZINC000594993602 347250905 /nfs/dbraw/zinc/25/09/05/347250905.db2.gz DIWSPMMVGLAYCH-UHFFFAOYSA-N 1 1 288.391 3.267 20 30 CGEDMO COC[C@@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccco1 ZINC000594942683 347237143 /nfs/dbraw/zinc/23/71/43/347237143.db2.gz YWJVHIZZLCPYRI-MRXNPFEDSA-N 1 1 296.370 3.312 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](CCOc2ccc(Cl)cc2)C1 ZINC000595611726 347326313 /nfs/dbraw/zinc/32/63/13/347326313.db2.gz NMAPPGBYHNFHPF-ZDUSSCGKSA-N 1 1 278.783 3.344 20 30 CGEDMO CC(C)N(C(=O)C[N@@H+]1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC000595610458 347326332 /nfs/dbraw/zinc/32/63/32/347326332.db2.gz YZLLFBSTYZVPCV-INIZCTEOSA-N 1 1 299.418 3.054 20 30 CGEDMO CC(C)N(C(=O)C[N@H+]1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC000595610458 347326335 /nfs/dbraw/zinc/32/63/35/347326335.db2.gz YZLLFBSTYZVPCV-INIZCTEOSA-N 1 1 299.418 3.054 20 30 CGEDMO Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595611221 347326640 /nfs/dbraw/zinc/32/66/40/347326640.db2.gz HVTVKDAUAVOFLJ-JKSUJKDBSA-N 1 1 299.418 3.256 20 30 CGEDMO Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595611221 347326642 /nfs/dbraw/zinc/32/66/42/347326642.db2.gz HVTVKDAUAVOFLJ-JKSUJKDBSA-N 1 1 299.418 3.256 20 30 CGEDMO COc1cncc(/C=C/CC[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595622397 347329173 /nfs/dbraw/zinc/32/91/73/347329173.db2.gz ABZVGEMHTUWVPA-IJJSQOHJSA-N 1 1 285.391 3.119 20 30 CGEDMO Cc1ccc2c(c1)C[N@H+](Cc1cccc(C#N)c1)CC2 ZINC000595656534 347334233 /nfs/dbraw/zinc/33/42/33/347334233.db2.gz BBGCIDDAMXQTRR-UHFFFAOYSA-N 1 1 262.356 3.425 20 30 CGEDMO N#CC1(CCC[N@@H+]2CCC[C@H](CCF)C2)CCOCC1 ZINC000595755773 347351518 /nfs/dbraw/zinc/35/15/18/347351518.db2.gz QAUOWENTRJFNPY-OAHLLOKOSA-N 1 1 282.403 3.159 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H](CCF)C1 ZINC000595757129 347352000 /nfs/dbraw/zinc/35/20/00/347352000.db2.gz ZQVLJABOJHOUOS-GFCCVEGCSA-N 1 1 264.319 3.269 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](CCF)C1 ZINC000595757129 347352001 /nfs/dbraw/zinc/35/20/01/347352001.db2.gz ZQVLJABOJHOUOS-GFCCVEGCSA-N 1 1 264.319 3.269 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595785323 347356052 /nfs/dbraw/zinc/35/60/52/347356052.db2.gz DJBCTXDIRAGBAQ-GJZGRUSLSA-N 1 1 264.413 3.207 20 30 CGEDMO CN1CC[C@@]2(C1)CCC[N@H+](CCCCC(C)(C)C#N)C2 ZINC000595503988 347312883 /nfs/dbraw/zinc/31/28/83/347312883.db2.gz CMJHQIDBYCDNCN-QGZVFWFLSA-N 1 1 277.456 3.124 20 30 CGEDMO CN1CC[C@@]2(C1)CCC[N@@H+](CCCCC(C)(C)C#N)C2 ZINC000595503988 347312885 /nfs/dbraw/zinc/31/28/85/347312885.db2.gz CMJHQIDBYCDNCN-QGZVFWFLSA-N 1 1 277.456 3.124 20 30 CGEDMO C[N@H+]1CCN([C@@H](C#N)c2ccccc2)CC12CCCCC2 ZINC000595510050 347313638 /nfs/dbraw/zinc/31/36/38/347313638.db2.gz JMNQXPOOIOJEJY-KRWDZBQOSA-N 1 1 283.419 3.202 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c(OC(F)F)c1 ZINC000595805999 347357466 /nfs/dbraw/zinc/35/74/66/347357466.db2.gz CTIDPKBHEDUYEQ-DGCLKSJQSA-N 1 1 278.302 3.001 20 30 CGEDMO CN(c1ccccc1)[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000595825759 347360881 /nfs/dbraw/zinc/36/08/81/347360881.db2.gz GITHRZPCVPFPTA-IBGZPJMESA-N 1 1 291.398 3.269 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595839187 347364707 /nfs/dbraw/zinc/36/47/07/347364707.db2.gz ZTLPNZAXEJPBBD-QGZVFWFLSA-N 1 1 267.376 3.223 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000595839187 347364709 /nfs/dbraw/zinc/36/47/09/347364709.db2.gz ZTLPNZAXEJPBBD-QGZVFWFLSA-N 1 1 267.376 3.223 20 30 CGEDMO C[C@@H](CC[N@H+]1CC[C@@](C)(C#N)C1)OCc1ccccc1 ZINC000595842052 347365227 /nfs/dbraw/zinc/36/52/27/347365227.db2.gz BRVAQXJVDVYKJJ-RDJZCZTQSA-N 1 1 272.392 3.217 20 30 CGEDMO CC[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000595868693 347369288 /nfs/dbraw/zinc/36/92/88/347369288.db2.gz YGCNJKJWHIQPEZ-XJKSGUPXSA-N 1 1 285.391 3.150 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)s1 ZINC000595910333 347371711 /nfs/dbraw/zinc/37/17/11/347371711.db2.gz OZJCNRUYDQGSKT-IYBDPMFKSA-N 1 1 288.416 3.012 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)C[C@](C)(C(F)F)O1 ZINC000595917425 347372572 /nfs/dbraw/zinc/37/25/72/347372572.db2.gz MIBKGGZOKXBNDX-IUODEOHRSA-N 1 1 288.382 3.451 20 30 CGEDMO Cc1ccc(C#N)nc1NCCC[N@H+](C)Cc1ccccc1 ZINC000596063111 347378702 /nfs/dbraw/zinc/37/87/02/347378702.db2.gz SDFDAFGRPSJKJE-UHFFFAOYSA-N 1 1 294.402 3.196 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000597176233 347544410 /nfs/dbraw/zinc/54/44/10/347544410.db2.gz GSUZPIGFRVOAEI-CQSZACIVSA-N 1 1 265.360 3.360 20 30 CGEDMO CC[N@@H+](Cc1ccc(O[C@@H](C)COC)cc1)C[C@@H](C)C#N ZINC000596991362 347524548 /nfs/dbraw/zinc/52/45/48/347524548.db2.gz LPJPOJVSUROWOG-GJZGRUSLSA-N 1 1 290.407 3.082 20 30 CGEDMO CC[N@H+](Cc1ccc(O[C@@H](C)COC)cc1)C[C@@H](C)C#N ZINC000596991362 347524549 /nfs/dbraw/zinc/52/45/49/347524549.db2.gz LPJPOJVSUROWOG-GJZGRUSLSA-N 1 1 290.407 3.082 20 30 CGEDMO CC[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@@H](C)O1 ZINC000596999596 347526858 /nfs/dbraw/zinc/52/68/58/347526858.db2.gz DNQKTOPDSGAAOJ-RHSMWYFYSA-N 1 1 284.403 3.241 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](CC2Cc3ccccc3C2)C1 ZINC000597177023 347545134 /nfs/dbraw/zinc/54/51/34/347545134.db2.gz LTUPYLCGFRQTHW-AWEZNQCLSA-N 1 1 254.377 3.027 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cc3ccncc3s2)C1 ZINC000597178063 347545535 /nfs/dbraw/zinc/54/55/35/347545535.db2.gz VBKKBXPRDKTESK-GFCCVEGCSA-N 1 1 271.389 3.422 20 30 CGEDMO CSCCC[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597126568 347537659 /nfs/dbraw/zinc/53/76/59/347537659.db2.gz PPBWWTXWQMLDRQ-UHFFFAOYSA-N 1 1 274.433 3.427 20 30 CGEDMO CCc1ccc([C@@H]2CCC[N@H+]2C[C@H](O)CC(C)(C)C#N)o1 ZINC000598592295 347667640 /nfs/dbraw/zinc/66/76/40/347667640.db2.gz IZPSVRRFQZDFPD-HIFRSBDPSA-N 1 1 290.407 3.280 20 30 CGEDMO CC(C)C[N@@H+](C[C@@H](O)CC(C)(C)C#N)CC(C)(C)C ZINC000598592142 347667676 /nfs/dbraw/zinc/66/76/76/347667676.db2.gz GGYGQNLKMWJWKL-AWEZNQCLSA-N 1 1 268.445 3.291 20 30 CGEDMO Cc1ccccc1[C@@H]1CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598589607 347667814 /nfs/dbraw/zinc/66/78/14/347667814.db2.gz HBCFCTREWNEVAX-CVEARBPZSA-N 1 1 286.419 3.085 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000598594458 347668401 /nfs/dbraw/zinc/66/84/01/347668401.db2.gz KHYOWGYPIYSFDS-AEFFLSMTSA-N 1 1 298.430 3.439 20 30 CGEDMO C[C@H]1c2c(F)cccc2CC[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598593568 347668649 /nfs/dbraw/zinc/66/86/49/347668649.db2.gz UYNMLBFHMBDQRW-JSGCOSHPSA-N 1 1 290.382 3.046 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000598618982 347672141 /nfs/dbraw/zinc/67/21/41/347672141.db2.gz TUDQJNMMWFGZPU-SJORKVTESA-N 1 1 286.419 3.167 20 30 CGEDMO COc1ccc([C@@H]2CC[N@H+]([C@@H]3CC[C@@H](C#N)C3)C2)cc1F ZINC000599681207 347765015 /nfs/dbraw/zinc/76/50/15/347765015.db2.gz XALGEPQKVWFJKN-BPLDGKMQSA-N 1 1 288.366 3.316 20 30 CGEDMO C[C@H](c1cccnc1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678698 347765158 /nfs/dbraw/zinc/76/51/58/347765158.db2.gz LAXJGGTVKDIMTO-CQSZACIVSA-N 1 1 277.371 3.267 20 30 CGEDMO Cc1occc1C[N@H+](C)Cc1ccc(C)c(C#N)c1 ZINC000599270873 347730642 /nfs/dbraw/zinc/73/06/42/347730642.db2.gz REIZPJZGPNRPLO-UHFFFAOYSA-N 1 1 254.333 3.400 20 30 CGEDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C)c(C#N)c2)C[C@@H]1C ZINC000599319439 347735225 /nfs/dbraw/zinc/73/52/25/347735225.db2.gz ZPTSZNKCOFFPPP-MAUKXSAKSA-N 1 1 285.435 3.171 20 30 CGEDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(C)c(C#N)c2)C[C@@H]1C ZINC000599319439 347735230 /nfs/dbraw/zinc/73/52/30/347735230.db2.gz ZPTSZNKCOFFPPP-MAUKXSAKSA-N 1 1 285.435 3.171 20 30 CGEDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C)c(C#N)c2)C[C@@H]1C ZINC000599319439 347735231 /nfs/dbraw/zinc/73/52/31/347735231.db2.gz ZPTSZNKCOFFPPP-MAUKXSAKSA-N 1 1 285.435 3.171 20 30 CGEDMO Cc1nc([C@@H](C)[NH2+]Cc2ccc(C)c(C#N)c2)cs1 ZINC000599362737 347739937 /nfs/dbraw/zinc/73/99/37/347739937.db2.gz LRJNEKYZTPHRMH-LLVKDONJSA-N 1 1 271.389 3.482 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)C[C@]1(C)CCCS1 ZINC000600109271 347780631 /nfs/dbraw/zinc/78/06/31/347780631.db2.gz INDSLOFHICPTRJ-HNNXBMFYSA-N 1 1 260.406 3.276 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)CC1(C)COC1 ZINC000599573259 347755297 /nfs/dbraw/zinc/75/52/97/347755297.db2.gz OBIZVIYMJWFVQR-UHFFFAOYSA-N 1 1 298.308 3.045 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599587572 347755795 /nfs/dbraw/zinc/75/57/95/347755795.db2.gz FSMGCQUPVBGEDG-KGLIPLIRSA-N 1 1 267.413 3.252 20 30 CGEDMO COc1cccc2c1C[N@@H+](CCCC(C)(C)C#N)C2 ZINC000599646052 347761622 /nfs/dbraw/zinc/76/16/22/347761622.db2.gz SKHDLKQZJMOSJV-UHFFFAOYSA-N 1 1 258.365 3.341 20 30 CGEDMO CC(C)n1cncc1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000600213664 347794150 /nfs/dbraw/zinc/79/41/50/347794150.db2.gz XMLFOEXDRHHXCX-UHFFFAOYSA-N 1 1 294.402 3.088 20 30 CGEDMO CC(C)n1cncc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000600213664 347794154 /nfs/dbraw/zinc/79/41/54/347794154.db2.gz XMLFOEXDRHHXCX-UHFFFAOYSA-N 1 1 294.402 3.088 20 30 CGEDMO CCC(O)(CC)C[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000600216060 347794567 /nfs/dbraw/zinc/79/45/67/347794567.db2.gz RMOJOPMYFXQKGX-UHFFFAOYSA-N 1 1 286.419 3.225 20 30 CGEDMO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cnc(C2CC2)o1 ZINC000600156476 347786433 /nfs/dbraw/zinc/78/64/33/347786433.db2.gz OWQFGAQKTAQZDD-INIZCTEOSA-N 1 1 279.343 3.201 20 30 CGEDMO COc1ccc(C#N)cc1NCc1c(C)cc(C)[nH+]c1C ZINC000601920471 347923805 /nfs/dbraw/zinc/92/38/05/347923805.db2.gz HDWSPILWVQUPSV-UHFFFAOYSA-N 1 1 281.359 3.499 20 30 CGEDMO CC[C@@H](C)[C@@H](C[N@@H+](C)Cc1ccc(C#N)cc1)OC ZINC000602438018 347958067 /nfs/dbraw/zinc/95/80/67/347958067.db2.gz GDYYVRKMYAJCPO-CZUORRHYSA-N 1 1 260.381 3.051 20 30 CGEDMO CC[C@@H](C)[C@@H](C[N@@H+](C)Cc1cccc(C#N)c1)OC ZINC000602438798 347958234 /nfs/dbraw/zinc/95/82/34/347958234.db2.gz AOIBNSNKTWNXMI-CZUORRHYSA-N 1 1 260.381 3.051 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cccc(C#N)n2)[C@@H]2CCCC[C@H]12 ZINC000602444334 347959033 /nfs/dbraw/zinc/95/90/33/347959033.db2.gz GPAIOEFFZWMLBW-KBRIMQKVSA-N 1 1 269.392 3.354 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)C[C@H](OC)C1CCOCC1 ZINC000602466459 347962780 /nfs/dbraw/zinc/96/27/80/347962780.db2.gz WVIZKOOOOPGKSS-KRWDZBQOSA-N 1 1 296.455 3.080 20 30 CGEDMO CC(C)C[C@@H]1CCC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602480770 347965676 /nfs/dbraw/zinc/96/56/76/347965676.db2.gz BTBZFNAJHWYJSC-AWEZNQCLSA-N 1 1 257.381 3.211 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C[C@@H]1CCN(c2ccccc2)C1)C1CC1 ZINC000602481184 347965735 /nfs/dbraw/zinc/96/57/35/347965735.db2.gz ALIBOLVURVEYQR-HZPDHXFCSA-N 1 1 283.419 3.137 20 30 CGEDMO C[C@H](C#N)C[N@H+](Cc1cccc2ncccc12)C1CC1 ZINC000602482018 347967082 /nfs/dbraw/zinc/96/70/82/347967082.db2.gz FAQMBDVOAWGDOO-CYBMUJFWSA-N 1 1 265.360 3.359 20 30 CGEDMO C[C@H](C#N)C[N@@H+](Cc1cccc2ncccc12)C1CC1 ZINC000602482018 347967083 /nfs/dbraw/zinc/96/70/83/347967083.db2.gz FAQMBDVOAWGDOO-CYBMUJFWSA-N 1 1 265.360 3.359 20 30 CGEDMO Cc1cc([NH+]2CCCC2)ccc1NCc1cccc(C#N)n1 ZINC000602493020 347969139 /nfs/dbraw/zinc/96/91/39/347969139.db2.gz HIOACOKEPVJVSS-UHFFFAOYSA-N 1 1 292.386 3.474 20 30 CGEDMO C[C@H](CCC#N)C[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000602590225 347990409 /nfs/dbraw/zinc/99/04/09/347990409.db2.gz YDLXLBIUVYYMNJ-AOIWGVFYSA-N 1 1 299.462 3.426 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000602606647 347992048 /nfs/dbraw/zinc/99/20/48/347992048.db2.gz VZFDZQUJZUBTRX-OAHLLOKOSA-N 1 1 294.402 3.170 20 30 CGEDMO COCC[C@H]1CCCC[N@@H+](C[C@H](C)CCC#N)C1 ZINC000602611266 347993988 /nfs/dbraw/zinc/99/39/88/347993988.db2.gz KXUBWJGULASHME-HUUCEWRRSA-N 1 1 252.402 3.065 20 30 CGEDMO COc1ccc2c(c1)CC[N@H+](C[C@@H](C)CCC#N)CC2 ZINC000602627307 347996753 /nfs/dbraw/zinc/99/67/53/347996753.db2.gz QTJCZOQWDCFWQC-AWEZNQCLSA-N 1 1 272.392 3.036 20 30 CGEDMO Cc1cccc([C@H]2CCC[N@H+]2CC2(CC#N)CC2)n1 ZINC000602784765 348028471 /nfs/dbraw/zinc/02/84/71/348028471.db2.gz KBEMRZJRWUCLLL-OAHLLOKOSA-N 1 1 255.365 3.221 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000602670656 348004940 /nfs/dbraw/zinc/00/49/40/348004940.db2.gz BJQLRIAYTFPGIS-KBPBESRZSA-N 1 1 258.365 3.209 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCCc2ccccc2CC1 ZINC000602680413 348007358 /nfs/dbraw/zinc/00/73/58/348007358.db2.gz DQKGKZXVGBGGLJ-OAHLLOKOSA-N 1 1 256.393 3.417 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](Cc2cccc(C#N)n2)[C@@H]1C(C)C ZINC000602683048 348008249 /nfs/dbraw/zinc/00/82/49/348008249.db2.gz OTCCKCHMFLNFRY-JKSUJKDBSA-N 1 1 257.381 3.066 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000602685179 348009172 /nfs/dbraw/zinc/00/91/72/348009172.db2.gz MMWBGTKCRPGJRC-OAGGEKHMSA-N 1 1 276.424 3.207 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)n2)CCc2ccc(F)cc21 ZINC000602703723 348013693 /nfs/dbraw/zinc/01/36/93/348013693.db2.gz CMCICFCYUIZMBH-CYBMUJFWSA-N 1 1 295.361 3.254 20 30 CGEDMO COc1cc(C)c(C[N@@H+](C)CC2(CC#N)CC2)cc1OC ZINC000602756736 348023664 /nfs/dbraw/zinc/02/36/64/348023664.db2.gz OKUWGNRPIIZEMN-UHFFFAOYSA-N 1 1 288.391 3.138 20 30 CGEDMO C[N@@H+](CCOc1ccccc1Cl)CC1(CC#N)CC1 ZINC000602757494 348023690 /nfs/dbraw/zinc/02/36/90/348023690.db2.gz GYBHCNDBBVJXRM-UHFFFAOYSA-N 1 1 278.783 3.344 20 30 CGEDMO C[N@@H+](CC1(CC#N)CC1)CC1(c2ccccc2)CC1 ZINC000602817126 348033073 /nfs/dbraw/zinc/03/30/73/348033073.db2.gz WYYZMKYGDOVOKD-UHFFFAOYSA-N 1 1 254.377 3.344 20 30 CGEDMO N#CCC1(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)CC1 ZINC000602823316 348033938 /nfs/dbraw/zinc/03/39/38/348033938.db2.gz CPSWOOVVZRDQEE-HNNXBMFYSA-N 1 1 298.434 3.093 20 30 CGEDMO C[C@@H]1C[N@H+](C[C@H]2CCCCC2(C)C)C[C@H](C)N1CC#N ZINC000602849736 348036363 /nfs/dbraw/zinc/03/63/63/348036363.db2.gz NDYFPHAVTJXGHU-OWCLPIDISA-N 1 1 277.456 3.121 20 30 CGEDMO CC1(C)C[N@H+](CC2(CC#N)CC2)[C@@H]1c1cccnc1 ZINC000602903361 348041802 /nfs/dbraw/zinc/04/18/02/348041802.db2.gz RESWXVNXEPZNQQ-CQSZACIVSA-N 1 1 255.365 3.158 20 30 CGEDMO CC1(C)C[N@@H+](CC2(CC#N)CC2)[C@@H]1c1cccnc1 ZINC000602903361 348041803 /nfs/dbraw/zinc/04/18/03/348041803.db2.gz RESWXVNXEPZNQQ-CQSZACIVSA-N 1 1 255.365 3.158 20 30 CGEDMO C[N@H+](CCCC#N)Cc1ccc(Br)cc1F ZINC000602926433 348044966 /nfs/dbraw/zinc/04/49/66/348044966.db2.gz QMYPHOYPFSNKAH-UHFFFAOYSA-N 1 1 285.160 3.324 20 30 CGEDMO C[N@@H+](CCCC#N)Cc1ccc(Br)cc1F ZINC000602926433 348044970 /nfs/dbraw/zinc/04/49/70/348044970.db2.gz QMYPHOYPFSNKAH-UHFFFAOYSA-N 1 1 285.160 3.324 20 30 CGEDMO C[N@H+](Cc1cccc(OC(F)F)c1)[C@@H]1CCC[C@H]1C#N ZINC000602975471 348048452 /nfs/dbraw/zinc/04/84/52/348048452.db2.gz BHQVRXZAOSVHJG-GXTWGEPZSA-N 1 1 280.318 3.412 20 30 CGEDMO C[N@@H+](Cc1cccc(OC(F)F)c1)[C@@H]1CCC[C@H]1C#N ZINC000602975471 348048454 /nfs/dbraw/zinc/04/84/54/348048454.db2.gz BHQVRXZAOSVHJG-GXTWGEPZSA-N 1 1 280.318 3.412 20 30 CGEDMO Cc1cc(-n2ccnc2)ccc1C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602980939 348051181 /nfs/dbraw/zinc/05/11/81/348051181.db2.gz XQGFLMLXVOYWQO-YJBOKZPZSA-N 1 1 294.402 3.305 20 30 CGEDMO C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)C(C)(C)CO ZINC000609894999 348356951 /nfs/dbraw/zinc/35/69/51/348356951.db2.gz XLXSTJGKZNWXSP-UHFFFAOYSA-N 1 1 294.398 3.428 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccnc(C#N)c2)[C@H]2CCCC[C@@H]12 ZINC000610991894 348413845 /nfs/dbraw/zinc/41/38/45/348413845.db2.gz NTUNLGVAYLBGAO-COXVUDFISA-N 1 1 269.392 3.354 20 30 CGEDMO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000610992433 348415081 /nfs/dbraw/zinc/41/50/81/348415081.db2.gz DCFGVGSAEWZJOT-QGZVFWFLSA-N 1 1 293.370 3.299 20 30 CGEDMO COc1ccccc1[C@H]1CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610992433 348415084 /nfs/dbraw/zinc/41/50/84/348415084.db2.gz DCFGVGSAEWZJOT-QGZVFWFLSA-N 1 1 293.370 3.299 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C#N)o1)Cc1ccc(C)cc1C ZINC000611257494 348432098 /nfs/dbraw/zinc/43/20/98/348432098.db2.gz SXJHBYIRUFIAGE-UHFFFAOYSA-N 1 1 298.386 3.417 20 30 CGEDMO C[C@@H](NCC[C@H]1CCCC[N@@H+]1C)c1cccc(C#N)c1 ZINC000611388196 348443349 /nfs/dbraw/zinc/44/33/49/348443349.db2.gz YKXFZASKKTVSAS-RHSMWYFYSA-N 1 1 271.408 3.083 20 30 CGEDMO C[C@@H](NCC[C@H]1CCCC[N@H+]1C)c1cccc(C#N)c1 ZINC000611388196 348443350 /nfs/dbraw/zinc/44/33/50/348443350.db2.gz YKXFZASKKTVSAS-RHSMWYFYSA-N 1 1 271.408 3.083 20 30 CGEDMO CC[N@H+](CCN[C@H]1CCCc2cc(C#N)ccc21)C1CC1 ZINC000611392284 348445304 /nfs/dbraw/zinc/44/53/04/348445304.db2.gz PRTYDVMQQXNLMU-SFHVURJKSA-N 1 1 283.419 3.010 20 30 CGEDMO CC[N@@H+](CCN[C@H]1CCCc2cc(C#N)ccc21)C1CC1 ZINC000611392284 348445305 /nfs/dbraw/zinc/44/53/05/348445305.db2.gz PRTYDVMQQXNLMU-SFHVURJKSA-N 1 1 283.419 3.010 20 30 CGEDMO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1CC1(C#N)CC1 ZINC000611430307 348451581 /nfs/dbraw/zinc/45/15/81/348451581.db2.gz WQBDBKTVFMZQHQ-OAHLLOKOSA-N 1 1 269.392 3.021 20 30 CGEDMO C[C@@]1(C#N)CCC[N@H+](CCN2CCCc3ccccc32)C1 ZINC000612162812 348498381 /nfs/dbraw/zinc/49/83/81/348498381.db2.gz MSNVMYWMCFIYTK-SFHVURJKSA-N 1 1 283.419 3.065 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](CCN2CCCc3ccccc32)C1 ZINC000612162812 348498384 /nfs/dbraw/zinc/49/83/84/348498384.db2.gz MSNVMYWMCFIYTK-SFHVURJKSA-N 1 1 283.419 3.065 20 30 CGEDMO CC[C@H]1CCC[C@@H](C[N@H+](CCC#N)CCOC)C1 ZINC000612399125 348516134 /nfs/dbraw/zinc/51/61/34/348516134.db2.gz MDFADPITQVORAO-LSDHHAIUSA-N 1 1 252.402 3.065 20 30 CGEDMO C[C@@H](CC#N)[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000612584392 348529482 /nfs/dbraw/zinc/52/94/82/348529482.db2.gz DYWDNWGZIXWEMK-JTQLQIEISA-N 1 1 259.740 3.280 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1ccc(F)c2cccnc12 ZINC000612585480 348530284 /nfs/dbraw/zinc/53/02/84/348530284.db2.gz GGNWLVVBWHIUAG-UHFFFAOYSA-N 1 1 257.312 3.013 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000613480416 348609584 /nfs/dbraw/zinc/60/95/84/348609584.db2.gz MAJNYVSXYFMYNN-QGZVFWFLSA-N 1 1 290.451 3.232 20 30 CGEDMO CO[C@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614164686 348653780 /nfs/dbraw/zinc/65/37/80/348653780.db2.gz PZRYWPZVJZSQCJ-INIZCTEOSA-N 1 1 272.392 3.099 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@H]3COCC[C@H]32)cc1 ZINC000614171566 348654274 /nfs/dbraw/zinc/65/42/74/348654274.db2.gz RGCJLSICAOMEBU-FUHWJXTLSA-N 1 1 298.430 3.489 20 30 CGEDMO CO[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614182333 348655950 /nfs/dbraw/zinc/65/59/50/348655950.db2.gz LUEOTNBBKMZFIJ-QGZVFWFLSA-N 1 1 286.419 3.489 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCc2ccc(O)cc2C1 ZINC000614403684 348674258 /nfs/dbraw/zinc/67/42/58/348674258.db2.gz PRBZAOTVJQJBAL-UHFFFAOYSA-N 1 1 278.355 3.131 20 30 CGEDMO Cc1ncc([C@H](C)[N@@H+](C)Cc2cccc(C#N)c2)c(C)n1 ZINC000614493848 348680150 /nfs/dbraw/zinc/68/01/50/348680150.db2.gz YCKXAYRFDAYJOR-ZDUSSCGKSA-N 1 1 280.375 3.158 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CCCC1 ZINC000617340316 348949247 /nfs/dbraw/zinc/94/92/47/348949247.db2.gz YPTTZXRCQZMXMW-AWEZNQCLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000618665342 349136348 /nfs/dbraw/zinc/13/63/48/349136348.db2.gz ZFKKPTZHYHOVTK-MRXNPFEDSA-N 1 1 290.451 3.278 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@@H](C2CC2)O1 ZINC000619283104 349227596 /nfs/dbraw/zinc/22/75/96/349227596.db2.gz QGPSCUGQKBSDKN-KSSFIOAISA-N 1 1 298.430 3.487 20 30 CGEDMO N#CC1(CCC[N@@H+](C2CC2)C2CCCC2)CCOCC1 ZINC000619620380 349263023 /nfs/dbraw/zinc/26/30/23/349263023.db2.gz VNOIXBQWPILKMK-UHFFFAOYSA-N 1 1 276.424 3.494 20 30 CGEDMO C[C@]1(C#N)CCC[N@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000619781326 349285157 /nfs/dbraw/zinc/28/51/57/349285157.db2.gz XPZOKEAQVOXVEI-LSDHHAIUSA-N 1 1 262.397 3.104 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000619781326 349285162 /nfs/dbraw/zinc/28/51/62/349285162.db2.gz XPZOKEAQVOXVEI-LSDHHAIUSA-N 1 1 262.397 3.104 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2nc([C@H](C)OCC(C)C)no2)C1 ZINC000625700759 350198227 /nfs/dbraw/zinc/19/82/27/350198227.db2.gz LEPCEKYEPKMKHI-UONOGXRCSA-N 1 1 293.411 3.201 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2nc([C@H](C)OCC(C)C)no2)C1 ZINC000625700759 350198230 /nfs/dbraw/zinc/19/82/30/350198230.db2.gz LEPCEKYEPKMKHI-UONOGXRCSA-N 1 1 293.411 3.201 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](CCc2noc3ccccc32)C1 ZINC000625701010 350198622 /nfs/dbraw/zinc/19/86/22/350198622.db2.gz GHTFNJJHSYIRMT-CYBMUJFWSA-N 1 1 256.349 3.268 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2nnc(-c3cc(C)oc3C)o2)C1 ZINC000625701581 350198988 /nfs/dbraw/zinc/19/89/88/350198988.db2.gz AALPFVUZJIZRJT-ZDUSSCGKSA-N 1 1 287.363 3.344 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CCc2nc3ccccc3n2C)C1 ZINC000625702968 350199590 /nfs/dbraw/zinc/19/95/90/350199590.db2.gz IZHDGTAEEVVQAX-CQSZACIVSA-N 1 1 269.392 3.014 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cc(F)cc3c2OCOC3)C1 ZINC000625703244 350200001 /nfs/dbraw/zinc/20/00/01/350200001.db2.gz ZJKAOWPNJOKDPX-LBPRGKRZSA-N 1 1 277.339 3.090 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625804346 350215740 /nfs/dbraw/zinc/21/57/40/350215740.db2.gz XGTIXJJUTNRAFB-KSSFIOAISA-N 1 1 298.386 3.179 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](C[C@@H](Cc2ccccc2)OC)C1 ZINC000625703869 350200890 /nfs/dbraw/zinc/20/08/90/350200890.db2.gz UUOWZHHJFKMDHA-IAGOWNOFSA-N 1 1 259.393 3.142 20 30 CGEDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)Nc1snc(Cl)c1C#N ZINC000271354509 191092223 /nfs/dbraw/zinc/09/22/23/191092223.db2.gz TZLGPOAGFCGWLP-ZJUUUORDSA-N 1 1 298.843 3.200 20 30 CGEDMO C=CC[N@H+](C[C@H](O)c1ccccc1Br)C1CC1 ZINC000271372012 191102889 /nfs/dbraw/zinc/10/28/89/191102889.db2.gz HAAXOBMWRYPEBM-AWEZNQCLSA-N 1 1 296.208 3.133 20 30 CGEDMO C=CC[N@@H+](CCOC)Cc1csc(C(F)(F)F)c1 ZINC000628251637 350465319 /nfs/dbraw/zinc/46/53/19/350465319.db2.gz PMKHUEGRRFYRCL-UHFFFAOYSA-N 1 1 279.327 3.401 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1csc(C(F)(F)F)c1 ZINC000628251637 350465320 /nfs/dbraw/zinc/46/53/20/350465320.db2.gz PMKHUEGRRFYRCL-UHFFFAOYSA-N 1 1 279.327 3.401 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000628405103 350528195 /nfs/dbraw/zinc/52/81/95/350528195.db2.gz CXLJWSNMDIYNLE-GJZGRUSLSA-N 1 1 257.377 3.451 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000628405441 350528439 /nfs/dbraw/zinc/52/84/39/350528439.db2.gz MDJJPEFGHDMRTE-CQSZACIVSA-N 1 1 285.366 3.409 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cnc3c(C)cccn23)C1 ZINC000628405184 350528947 /nfs/dbraw/zinc/52/89/47/350528947.db2.gz FZZZTKNPFCNJTE-CQSZACIVSA-N 1 1 255.365 3.041 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(COCCOC)cc2)C1 ZINC000628406961 350530502 /nfs/dbraw/zinc/53/05/02/350530502.db2.gz VPGRZQPTAIHOKZ-MRXNPFEDSA-N 1 1 289.419 3.248 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(C)o2)C1 ZINC000628406938 350530552 /nfs/dbraw/zinc/53/05/52/350530552.db2.gz VJEFHYJLUZXDGR-AWEZNQCLSA-N 1 1 285.391 3.387 20 30 CGEDMO C=C1CC(C)(C(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000630681759 350869573 /nfs/dbraw/zinc/86/95/73/350869573.db2.gz MWDBWZZDIXAKDH-UHFFFAOYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCOc1cccc(CN[C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000634732895 351578654 /nfs/dbraw/zinc/57/86/54/351578654.db2.gz RNKMCLKYXLIASS-INIZCTEOSA-N 1 1 288.435 3.119 20 30 CGEDMO C=CCC[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000635717692 351685673 /nfs/dbraw/zinc/68/56/73/351685673.db2.gz TYPVKRGHQUKXIG-NVXWUHKLSA-N 1 1 286.419 3.152 20 30 CGEDMO C=CCC(CC=C)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000123719781 187106129 /nfs/dbraw/zinc/10/61/29/187106129.db2.gz DILKVGAHQRJICL-MRXNPFEDSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C(Cl)CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000271560711 191213278 /nfs/dbraw/zinc/21/32/78/191213278.db2.gz XLYBHUJTLNOCRK-ZDUSSCGKSA-N 1 1 282.815 3.030 20 30 CGEDMO CC(C)(O)C[N@@H+](Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000271557118 191211679 /nfs/dbraw/zinc/21/16/79/191211679.db2.gz NQRWGSHPYAINFK-UHFFFAOYSA-N 1 1 294.398 3.331 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000157041328 188294297 /nfs/dbraw/zinc/29/42/97/188294297.db2.gz MKQAKXLPTSDVGM-RDJZCZTQSA-N 1 1 258.409 3.157 20 30 CGEDMO C=CCN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000157041328 188294306 /nfs/dbraw/zinc/29/43/06/188294306.db2.gz MKQAKXLPTSDVGM-RDJZCZTQSA-N 1 1 258.409 3.157 20 30 CGEDMO C=CCN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000157041328 188294307 /nfs/dbraw/zinc/29/43/07/188294307.db2.gz MKQAKXLPTSDVGM-RDJZCZTQSA-N 1 1 258.409 3.157 20 30 CGEDMO CC[C@@H](C)C[N@@H+](CC)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000157184118 188301784 /nfs/dbraw/zinc/30/17/84/188301784.db2.gz SJDYVITUPYEGGV-LLVKDONJSA-N 1 1 291.395 3.075 20 30 CGEDMO Cc1cnc(CC[N@@H+](C)Cc2cc(F)ccc2C#N)s1 ZINC000157726363 188335208 /nfs/dbraw/zinc/33/52/08/188335208.db2.gz XHLSSBIHJPRAOS-UHFFFAOYSA-N 1 1 289.379 3.137 20 30 CGEDMO Cc1cnc(CC[N@H+](C)Cc2cc(F)ccc2C#N)s1 ZINC000157726363 188335210 /nfs/dbraw/zinc/33/52/10/188335210.db2.gz XHLSSBIHJPRAOS-UHFFFAOYSA-N 1 1 289.379 3.137 20 30 CGEDMO C=CCc1cc(C[N@@H+](C)[C@H](C)C2CC2)cc(OC)c1O ZINC000158050057 188354302 /nfs/dbraw/zinc/35/43/02/188354302.db2.gz VCUOAPZXOMVKLR-GFCCVEGCSA-N 1 1 275.392 3.360 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)n1 ZINC000336400001 213258162 /nfs/dbraw/zinc/25/81/62/213258162.db2.gz BBLPYYOGEZIARH-CYBMUJFWSA-N 1 1 269.373 3.004 20 30 CGEDMO N#Cc1csc(C[N@H+]2CC[C@@H](c3ccccc3)C2)n1 ZINC000336400001 213258163 /nfs/dbraw/zinc/25/81/63/213258163.db2.gz BBLPYYOGEZIARH-CYBMUJFWSA-N 1 1 269.373 3.004 20 30 CGEDMO N#CC1(F)CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000352466817 283047465 /nfs/dbraw/zinc/04/74/65/283047465.db2.gz GGKKUDQGCJMQAF-UHFFFAOYSA-N 1 1 287.313 3.202 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000459338441 283211625 /nfs/dbraw/zinc/21/16/25/283211625.db2.gz KKQPJTSMAVCTGE-SWLSCSKDSA-N 1 1 285.347 3.231 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000459338441 283211629 /nfs/dbraw/zinc/21/16/29/283211629.db2.gz KKQPJTSMAVCTGE-SWLSCSKDSA-N 1 1 285.347 3.231 20 30 CGEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@H]4CCCC[C@H]43)n2c1 ZINC000093480674 138346851 /nfs/dbraw/zinc/34/68/51/138346851.db2.gz XHRPTATZGHXFMI-NVXWUHKLSA-N 1 1 294.402 3.361 20 30 CGEDMO CCC[C@@H]1CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000093704730 138347918 /nfs/dbraw/zinc/34/79/18/138347918.db2.gz ZKYHURRUUPCCQD-CQSZACIVSA-N 1 1 282.391 3.218 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCCNc1cccc(F)c1C#N ZINC000105791608 138352962 /nfs/dbraw/zinc/35/29/62/138352962.db2.gz DVRXFWVCKBNOCO-CYBMUJFWSA-N 1 1 275.371 3.374 20 30 CGEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)s2)C1(C)C ZINC000129959227 138398753 /nfs/dbraw/zinc/39/87/53/138398753.db2.gz TXBPGNBFPVOBHU-ZIAGYGMSSA-N 1 1 278.421 3.255 20 30 CGEDMO CCC[N@@H+](Cc1ccc(Cl)cc1C#N)CC(C)(C)O ZINC000360051030 283293885 /nfs/dbraw/zinc/29/38/85/283293885.db2.gz DQDPDAFSISFARI-UHFFFAOYSA-N 1 1 280.799 3.195 20 30 CGEDMO Cc1cc(NCCCC[N@@H+]2CCC[C@H](C)C2)cc(C#N)n1 ZINC000341526700 216001230 /nfs/dbraw/zinc/00/12/30/216001230.db2.gz NDFNXRCLEKXUOW-AWEZNQCLSA-N 1 1 286.423 3.186 20 30 CGEDMO Cc1[nH+]ccn1CCCNc1cccc(Cl)c1C#N ZINC000297085687 200080946 /nfs/dbraw/zinc/08/09/46/200080946.db2.gz KBKNXUYVASEBQT-UHFFFAOYSA-N 1 1 274.755 3.219 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)[C@H]1C ZINC000437832001 237357990 /nfs/dbraw/zinc/35/79/90/237357990.db2.gz DZWNEHUHQKAPIQ-QWRGUYRKSA-N 1 1 280.318 3.390 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000177204405 189036204 /nfs/dbraw/zinc/03/62/04/189036204.db2.gz JLKYNZDZYQNFFS-UHFFFAOYSA-N 1 1 291.420 3.073 20 30 CGEDMO C[C@@H]([N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1)C1(C)CC1 ZINC000177229869 189038009 /nfs/dbraw/zinc/03/80/09/189038009.db2.gz JBQUOQHDRFJHRX-CYBMUJFWSA-N 1 1 285.391 3.007 20 30 CGEDMO C=CCCCC(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000177445348 189051406 /nfs/dbraw/zinc/05/14/06/189051406.db2.gz YWCHDYVKUPJGRA-RDJZCZTQSA-N 1 1 286.419 3.122 20 30 CGEDMO C=CC[NH+]1CCC(N[C@H](C)c2ccc(OC)cc2F)CC1 ZINC000177905426 189078439 /nfs/dbraw/zinc/07/84/39/189078439.db2.gz SHMVMWJYZVYFKS-CYBMUJFWSA-N 1 1 292.398 3.135 20 30 CGEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000179168163 189174158 /nfs/dbraw/zinc/17/41/58/189174158.db2.gz XFNAZFKUTJEKBE-MRXNPFEDSA-N 1 1 280.375 3.235 20 30 CGEDMO CC[C@@H]1CCCC[N@H+]1CCNc1ccc(F)cc1C#N ZINC000301412092 201001215 /nfs/dbraw/zinc/00/12/15/201001215.db2.gz YTAYDNCHXMIPGA-OAHLLOKOSA-N 1 1 275.371 3.374 20 30 CGEDMO CCCC[N@H+]1CCCC[C@H]1CNc1ccc(C#N)nc1 ZINC000301497134 201030595 /nfs/dbraw/zinc/03/05/95/201030595.db2.gz CRVRBGVZTBFIEQ-INIZCTEOSA-N 1 1 272.396 3.020 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000119753621 370705268 /nfs/dbraw/zinc/70/52/68/370705268.db2.gz MLSPJACHNVOQCW-HNNXBMFYSA-N 1 1 275.392 3.110 20 30 CGEDMO COc1ccc([C@@H]2CC[N@@H+](CCC(C)(C)C#N)C2)cc1 ZINC000119903457 370721673 /nfs/dbraw/zinc/72/16/73/370721673.db2.gz SHSUSLCMHFFLBO-OAHLLOKOSA-N 1 1 272.392 3.424 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000451649374 240342349 /nfs/dbraw/zinc/34/23/49/240342349.db2.gz RVMSILNREDPWTF-HNNXBMFYSA-N 1 1 276.380 3.025 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCSC[C@H]1C1CC1 ZINC000451649374 240342352 /nfs/dbraw/zinc/34/23/52/240342352.db2.gz RVMSILNREDPWTF-HNNXBMFYSA-N 1 1 276.380 3.025 20 30 CGEDMO CCC[C@@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000120873231 370809258 /nfs/dbraw/zinc/80/92/58/370809258.db2.gz WQUGPLWLTFFABP-GFCCVEGCSA-N 1 1 291.420 3.070 20 30 CGEDMO CCC[C@@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000120873231 370809261 /nfs/dbraw/zinc/80/92/61/370809261.db2.gz WQUGPLWLTFFABP-GFCCVEGCSA-N 1 1 291.420 3.070 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000121208374 370839620 /nfs/dbraw/zinc/83/96/20/370839620.db2.gz TZUXYWXJYZIIIT-VXGBXAGGSA-N 1 1 280.799 3.024 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000121362114 370854240 /nfs/dbraw/zinc/85/42/40/370854240.db2.gz YDYALSZTBQZPCN-INIZCTEOSA-N 1 1 263.356 3.117 20 30 CGEDMO C=CC[N@@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000121382563 370855555 /nfs/dbraw/zinc/85/55/55/370855555.db2.gz CATLVLGXKXXBMG-SECBINFHSA-N 1 1 287.190 3.438 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000121382563 370855558 /nfs/dbraw/zinc/85/55/58/370855558.db2.gz CATLVLGXKXXBMG-SECBINFHSA-N 1 1 287.190 3.438 20 30 CGEDMO CCOC[C@@H]1CCCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000459725198 242194895 /nfs/dbraw/zinc/19/48/95/242194895.db2.gz XHFCFCIXZKOFBV-INIZCTEOSA-N 1 1 297.402 3.202 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(OCc2ccccn2)cc1 ZINC000121523816 370869171 /nfs/dbraw/zinc/86/91/71/370869171.db2.gz RMRNOIOCLPDVOC-UHFFFAOYSA-N 1 1 268.360 3.278 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1OC ZINC000124771365 370927903 /nfs/dbraw/zinc/92/79/03/370927903.db2.gz QMAVUHURHPLCDQ-IAGOWNOFSA-N 1 1 289.419 3.029 20 30 CGEDMO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(OCC#N)cc2)s1 ZINC000123898040 370916807 /nfs/dbraw/zinc/91/68/07/370916807.db2.gz TWIMNFVGOPVMOJ-GFCCVEGCSA-N 1 1 287.388 3.205 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](C)CC2CCOCC2)c1 ZINC000123965030 370917481 /nfs/dbraw/zinc/91/74/81/370917481.db2.gz WODRKBOZBJPPGF-UHFFFAOYSA-N 1 1 275.392 3.110 20 30 CGEDMO C[C@H]1c2ccsc2CC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000042764619 369231247 /nfs/dbraw/zinc/23/12/47/369231247.db2.gz BDNPMWQLEDASSR-LRDDRELGSA-N 1 1 298.411 3.272 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc(CC=C)c(O)c(OC)c1 ZINC000276098726 193214075 /nfs/dbraw/zinc/21/40/75/193214075.db2.gz FERNUYVNZCWHIE-UHFFFAOYSA-N 1 1 261.365 3.137 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)CC2CCC2)cc1OC ZINC000127760901 370956751 /nfs/dbraw/zinc/95/67/51/370956751.db2.gz VVBIWENLOASRIF-UHFFFAOYSA-N 1 1 275.392 3.492 20 30 CGEDMO Cc1cc([C@@H]2C[N@H+](CCCCC#N)CCO2)ccc1F ZINC000128443489 370962077 /nfs/dbraw/zinc/96/20/77/370962077.db2.gz LDIJFYNKZUMBHN-INIZCTEOSA-N 1 1 276.355 3.201 20 30 CGEDMO Cc1cc([C@@H]2C[N@@H+](CCCCC#N)CCO2)ccc1F ZINC000128443489 370962085 /nfs/dbraw/zinc/96/20/85/370962085.db2.gz LDIJFYNKZUMBHN-INIZCTEOSA-N 1 1 276.355 3.201 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)C(=O)N(CC=C)Cc1cccs1 ZINC000276364906 193301178 /nfs/dbraw/zinc/30/11/78/193301178.db2.gz GEAUGQZDSMJCFR-CQSZACIVSA-N 1 1 292.448 3.159 20 30 CGEDMO C[N@@H+](CCNc1ccc(C#N)c(C(F)(F)F)c1)C1CC1 ZINC000062010374 369613652 /nfs/dbraw/zinc/61/36/52/369613652.db2.gz CQOCSHWEKHOCMT-UHFFFAOYSA-N 1 1 283.297 3.083 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000066899461 369708782 /nfs/dbraw/zinc/70/87/82/369708782.db2.gz XWAOIQIODUZUPG-CQSZACIVSA-N 1 1 259.349 3.171 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)CCc1ccccn1 ZINC000065959846 369687234 /nfs/dbraw/zinc/68/72/34/369687234.db2.gz ZHXHVMZQNHGGMW-UHFFFAOYSA-N 1 1 266.388 3.355 20 30 CGEDMO CC1(C)CCC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000070259012 369793342 /nfs/dbraw/zinc/79/33/42/369793342.db2.gz GNDAYCCGLVMXQH-UHFFFAOYSA-N 1 1 258.365 3.059 20 30 CGEDMO COc1cc2c(cc1OC)C[N@@H+](CCC(C)(C)C#N)CC2 ZINC000087595038 370028442 /nfs/dbraw/zinc/02/84/42/370028442.db2.gz HUMFNMHKMDZOLL-UHFFFAOYSA-N 1 1 288.391 3.002 20 30 CGEDMO CC[C@H](C)C[N@@H+](CC)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000093250925 370113656 /nfs/dbraw/zinc/11/36/56/370113656.db2.gz SUAMKEGKXXDUFQ-KBPBESRZSA-N 1 1 287.407 3.253 20 30 CGEDMO C[C@@H]1C[C@H](Nc2cc(C#N)c3ccccc3n2)CC[N@H+]1C ZINC000090795398 370069663 /nfs/dbraw/zinc/06/96/63/370069663.db2.gz CFDIMVCUVOGHPL-TZMCWYRMSA-N 1 1 280.375 3.001 20 30 CGEDMO CC[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C[C@@H](C)C#N ZINC000091983449 370086138 /nfs/dbraw/zinc/08/61/38/370086138.db2.gz JMQKTAUUVZBNEV-LBPRGKRZSA-N 1 1 286.354 3.197 20 30 CGEDMO CC[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C[C@@H](C)C#N ZINC000091983449 370086144 /nfs/dbraw/zinc/08/61/44/370086144.db2.gz JMQKTAUUVZBNEV-LBPRGKRZSA-N 1 1 286.354 3.197 20 30 CGEDMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)Cc1ccc(C#N)o1 ZINC000092042885 370089981 /nfs/dbraw/zinc/08/99/81/370089981.db2.gz MCBXSFSXXZFEJW-GJZGRUSLSA-N 1 1 276.380 3.177 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1cnn(CC)c1 ZINC000092505645 370097683 /nfs/dbraw/zinc/09/76/83/370097683.db2.gz CXLLGTPVGHTOKJ-UHFFFAOYSA-N 1 1 269.392 3.134 20 30 CGEDMO CCS[C@H]1CCCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000093361766 370120677 /nfs/dbraw/zinc/12/06/77/370120677.db2.gz PGCNICBDULCUSL-AWEZNQCLSA-N 1 1 264.394 3.259 20 30 CGEDMO C=CCOc1ccccc1CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000093644294 370150418 /nfs/dbraw/zinc/15/04/18/370150418.db2.gz WKVHWKWSVGIJNV-RDJZCZTQSA-N 1 1 288.435 3.166 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000093644294 370150425 /nfs/dbraw/zinc/15/04/25/370150425.db2.gz WKVHWKWSVGIJNV-RDJZCZTQSA-N 1 1 288.435 3.166 20 30 CGEDMO C=CCOc1ccccc1C[N@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000093644294 370150431 /nfs/dbraw/zinc/15/04/31/370150431.db2.gz WKVHWKWSVGIJNV-RDJZCZTQSA-N 1 1 288.435 3.166 20 30 CGEDMO C=CCOc1ccccc1CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000093644292 370151062 /nfs/dbraw/zinc/15/10/62/370151062.db2.gz WKVHWKWSVGIJNV-DOTOQJQBSA-N 1 1 288.435 3.166 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000093644292 370151066 /nfs/dbraw/zinc/15/10/66/370151066.db2.gz WKVHWKWSVGIJNV-DOTOQJQBSA-N 1 1 288.435 3.166 20 30 CGEDMO C=CCOc1ccccc1C[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000093644292 370151075 /nfs/dbraw/zinc/15/10/75/370151075.db2.gz WKVHWKWSVGIJNV-DOTOQJQBSA-N 1 1 288.435 3.166 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)CC1CCOCC1 ZINC000112697031 370443429 /nfs/dbraw/zinc/44/34/29/370443429.db2.gz CHKZHTVSRZIAAR-UHFFFAOYSA-N 1 1 272.392 3.197 20 30 CGEDMO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)CC(C)C ZINC000114725346 370510339 /nfs/dbraw/zinc/51/03/39/370510339.db2.gz ZECIHGLKQPZESL-UHFFFAOYSA-N 1 1 293.798 3.128 20 30 CGEDMO CC(C)[N@@H+](C)CCNc1ccc(Br)cc1C#N ZINC000130443498 371033354 /nfs/dbraw/zinc/03/33/54/371033354.db2.gz UIHDHOUKHWSWLZ-UHFFFAOYSA-N 1 1 296.212 3.073 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000131056441 371079774 /nfs/dbraw/zinc/07/97/74/371079774.db2.gz ITNHTTDEWURZLM-UHFFFAOYSA-N 1 1 293.720 3.360 20 30 CGEDMO C=CCC[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000132660176 371192141 /nfs/dbraw/zinc/19/21/41/371192141.db2.gz ZGCINBXXKCYIQB-INIZCTEOSA-N 1 1 263.356 3.383 20 30 CGEDMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000134227172 371313482 /nfs/dbraw/zinc/31/34/82/371313482.db2.gz DIUDSWGKOGLAOG-IFXJQAMLSA-N 1 1 292.382 3.382 20 30 CGEDMO CS[C@@H]1CCCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000134565716 371350049 /nfs/dbraw/zinc/35/00/49/371350049.db2.gz DXVQZYTWPWSHNN-OAHLLOKOSA-N 1 1 260.406 3.276 20 30 CGEDMO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)CCCSCC#N ZINC000140657003 371511591 /nfs/dbraw/zinc/51/15/91/371511591.db2.gz HTJIEULPGAEBJE-ZIAGYGMSSA-N 1 1 284.469 3.159 20 30 CGEDMO CC#CCC[N@@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000286714640 371543456 /nfs/dbraw/zinc/54/34/56/371543456.db2.gz AURJEQKIFGJQCH-AWEZNQCLSA-N 1 1 273.380 3.278 20 30 CGEDMO CC#CCC[N@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000286714640 371543467 /nfs/dbraw/zinc/54/34/67/371543467.db2.gz AURJEQKIFGJQCH-AWEZNQCLSA-N 1 1 273.380 3.278 20 30 CGEDMO C[N@H+](CCC#N)CC1(c2ccc(Br)cc2)CC1 ZINC000152604582 371707920 /nfs/dbraw/zinc/70/79/20/371707920.db2.gz NUSKRRRLZPSPIC-UHFFFAOYSA-N 1 1 293.208 3.326 20 30 CGEDMO C[N@@H+](CCC#N)CC1(c2ccc(Br)cc2)CC1 ZINC000152604582 371707927 /nfs/dbraw/zinc/70/79/27/371707927.db2.gz NUSKRRRLZPSPIC-UHFFFAOYSA-N 1 1 293.208 3.326 20 30 CGEDMO C[C@H]1C[N@H+](Cc2cn3ccccc3c2C#N)CCC1(F)F ZINC000289976683 371868728 /nfs/dbraw/zinc/86/87/28/371868728.db2.gz XLFGCNHQDGUEAE-LBPRGKRZSA-N 1 1 289.329 3.288 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cn3ccccc3c2C#N)CCC1(F)F ZINC000289976683 371868731 /nfs/dbraw/zinc/86/87/31/371868731.db2.gz XLFGCNHQDGUEAE-LBPRGKRZSA-N 1 1 289.329 3.288 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](Cc1cccc(OC)c1)CC(C)C ZINC000036100100 541860426 /nfs/dbraw/zinc/86/04/26/541860426.db2.gz BKZIBZHSXXBOBQ-QGZVFWFLSA-N 1 1 291.435 3.480 20 30 CGEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)CC1CCCC1 ZINC000344078030 217040962 /nfs/dbraw/zinc/04/09/62/217040962.db2.gz XKRXYGYRFMJQTH-UHFFFAOYSA-N 1 1 272.392 3.197 20 30 CGEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H]1CC=CCC1 ZINC000344080710 217042524 /nfs/dbraw/zinc/04/25/24/217042524.db2.gz ZGFMABRNUXXNDR-RHSMWYFYSA-N 1 1 298.386 3.060 20 30 CGEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000344080710 217042526 /nfs/dbraw/zinc/04/25/26/217042526.db2.gz ZGFMABRNUXXNDR-RHSMWYFYSA-N 1 1 298.386 3.060 20 30 CGEDMO Cc1n[nH]cc1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000154387370 371842145 /nfs/dbraw/zinc/84/21/45/371842145.db2.gz OJLARJUXZWKJCW-UHFFFAOYSA-N 1 1 268.364 3.000 20 30 CGEDMO CC[C@H](C)C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344125736 217060759 /nfs/dbraw/zinc/06/07/59/217060759.db2.gz WYSZGTZCMQKYIQ-AWEZNQCLSA-N 1 1 260.381 3.053 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CC[C@H](Nc3ccccc3)C2)cc1 ZINC000157027668 372004019 /nfs/dbraw/zinc/00/40/19/372004019.db2.gz HURHUGZTQXJFHA-IBGZPJMESA-N 1 1 294.373 3.364 20 30 CGEDMO C=CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000157041019 372004582 /nfs/dbraw/zinc/00/45/82/372004582.db2.gz MKQAKXLPTSDVGM-DOTOQJQBSA-N 1 1 258.409 3.157 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000157041019 372004587 /nfs/dbraw/zinc/00/45/87/372004587.db2.gz MKQAKXLPTSDVGM-DOTOQJQBSA-N 1 1 258.409 3.157 20 30 CGEDMO C=CCN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000157041019 372004596 /nfs/dbraw/zinc/00/45/96/372004596.db2.gz MKQAKXLPTSDVGM-DOTOQJQBSA-N 1 1 258.409 3.157 20 30 CGEDMO C=CCN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000157041019 372004604 /nfs/dbraw/zinc/00/46/04/372004604.db2.gz MKQAKXLPTSDVGM-DOTOQJQBSA-N 1 1 258.409 3.157 20 30 CGEDMO CCC[N@H+](Cc1n[nH]cc1C)Cc1ccc(C#N)cc1 ZINC000290510854 372005922 /nfs/dbraw/zinc/00/59/22/372005922.db2.gz TXVPJHKXCOQCBR-UHFFFAOYSA-N 1 1 268.364 3.002 20 30 CGEDMO CCC[N@@H+](Cc1n[nH]cc1C)Cc1ccc(C#N)cc1 ZINC000290510854 372005927 /nfs/dbraw/zinc/00/59/27/372005927.db2.gz TXVPJHKXCOQCBR-UHFFFAOYSA-N 1 1 268.364 3.002 20 30 CGEDMO CCC[N@@H+](Cc1[nH]ncc1C)Cc1ccc(C#N)cc1 ZINC000290510854 372005938 /nfs/dbraw/zinc/00/59/38/372005938.db2.gz TXVPJHKXCOQCBR-UHFFFAOYSA-N 1 1 268.364 3.002 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000424604112 372086699 /nfs/dbraw/zinc/08/66/99/372086699.db2.gz UJDGORDCIJDJHS-QLFBSQMISA-N 1 1 280.456 3.071 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000424750219 372097591 /nfs/dbraw/zinc/09/75/91/372097591.db2.gz KLOGMSXTXKIPHC-HOTGVXAUSA-N 1 1 286.419 3.150 20 30 CGEDMO C#CCCCC(=O)Nc1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC000291215949 372139186 /nfs/dbraw/zinc/13/91/86/372139186.db2.gz OMAQIWZBRIDARQ-UHFFFAOYSA-N 1 1 281.359 3.231 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(OC)c(OC)c1 ZINC000426568829 372165143 /nfs/dbraw/zinc/16/51/43/372165143.db2.gz UHWLVLLQZOJUDN-AWEZNQCLSA-N 1 1 261.365 3.244 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cccc(OC)c1OC ZINC000426556708 372165326 /nfs/dbraw/zinc/16/53/26/372165326.db2.gz OXZJFBACEPFORK-CQSZACIVSA-N 1 1 261.365 3.244 20 30 CGEDMO C=CC[N@H+](CCOCC1CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000159747658 372175793 /nfs/dbraw/zinc/17/57/93/372175793.db2.gz GHIXQIQDXCMYFV-UHFFFAOYSA-N 1 1 290.363 3.009 20 30 CGEDMO C=CC[N@H+](C[C@@H](O)c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000291163324 372130777 /nfs/dbraw/zinc/13/07/77/372130777.db2.gz MHKWIDPAQMRRSK-CQSZACIVSA-N 1 1 285.309 3.389 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000292490064 372195257 /nfs/dbraw/zinc/19/52/57/372195257.db2.gz WNOXURPVESJJNI-OAHLLOKOSA-N 1 1 290.451 3.088 20 30 CGEDMO CN(CC[C@H]1CCCC[N@H+]1C)Cc1cc(F)ccc1C#N ZINC000160802733 372276558 /nfs/dbraw/zinc/27/65/58/372276558.db2.gz JLAHBMLRUWJQGJ-QGZVFWFLSA-N 1 1 289.398 3.004 20 30 CGEDMO CC[N@@H+](Cc1cccc(F)c1C#N)[C@H]1CCOC(C)(C)C1 ZINC000428940007 372284678 /nfs/dbraw/zinc/28/46/78/372284678.db2.gz BKLMEXVAMQAPSX-AWEZNQCLSA-N 1 1 290.382 3.477 20 30 CGEDMO CC(C)(CCC#N)C[N@@H+]1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000430227440 372386443 /nfs/dbraw/zinc/38/64/43/372386443.db2.gz RFFNALIYAXYZPQ-NSHDSACASA-N 1 1 292.345 3.358 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000430227440 372386448 /nfs/dbraw/zinc/38/64/48/372386448.db2.gz RFFNALIYAXYZPQ-NSHDSACASA-N 1 1 292.345 3.358 20 30 CGEDMO C[C@@H](C1CC1)[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000164696314 372529668 /nfs/dbraw/zinc/52/96/68/372529668.db2.gz RTHBIHHUBOIQLT-ZDUSSCGKSA-N 1 1 297.402 3.150 20 30 CGEDMO Cc1cnc(C[NH2+][C@@H](CCCC#N)c2ccccc2)nc1 ZINC000433023237 372578113 /nfs/dbraw/zinc/57/81/13/372578113.db2.gz OBKAAAOJRZEJRX-INIZCTEOSA-N 1 1 280.375 3.310 20 30 CGEDMO Cc1cccc(C)c1OCC[N@@H+](C)CC(C)(C)C#N ZINC000433311639 372588054 /nfs/dbraw/zinc/58/80/54/372588054.db2.gz NEFBCIUQHJLMPB-UHFFFAOYSA-N 1 1 260.381 3.164 20 30 CGEDMO Cc1cccc(C)c1OCC[N@H+](C)CC(C)(C)C#N ZINC000433311639 372588061 /nfs/dbraw/zinc/58/80/61/372588061.db2.gz NEFBCIUQHJLMPB-UHFFFAOYSA-N 1 1 260.381 3.164 20 30 CGEDMO N#CCCCC[N@@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000171624776 372798114 /nfs/dbraw/zinc/79/81/14/372798114.db2.gz QUFGEHXGWREIJH-UHFFFAOYSA-N 1 1 271.339 3.359 20 30 CGEDMO N#CCCCC[N@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000171624776 372798116 /nfs/dbraw/zinc/79/81/16/372798116.db2.gz QUFGEHXGWREIJH-UHFFFAOYSA-N 1 1 271.339 3.359 20 30 CGEDMO N#Cc1cccc(CNC[C@@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000435740562 372799789 /nfs/dbraw/zinc/79/97/89/372799789.db2.gz FHVQVJSHUBCZQX-IBGZPJMESA-N 1 1 297.446 3.445 20 30 CGEDMO N#Cc1cccc(C[NH2+]C[C@@H]2CCCN2C2CCCCC2)c1 ZINC000435740562 372799792 /nfs/dbraw/zinc/79/97/92/372799792.db2.gz FHVQVJSHUBCZQX-IBGZPJMESA-N 1 1 297.446 3.445 20 30 CGEDMO COc1ccc(C[NH2+]Cc2ccc(C#N)cc2F)c(F)c1 ZINC000344634001 217257123 /nfs/dbraw/zinc/25/71/23/217257123.db2.gz XRSHWKMTLUKRQD-UHFFFAOYSA-N 1 1 288.297 3.135 20 30 CGEDMO CC1(C#N)CC[NH+](Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000437801670 372857247 /nfs/dbraw/zinc/85/72/47/372857247.db2.gz ORXYOSJDILHADX-UHFFFAOYSA-N 1 1 271.339 3.433 20 30 CGEDMO C=CCC[C@@H]([NH2+]Cc1nccnc1OC)c1ccccc1 ZINC000295760023 372901752 /nfs/dbraw/zinc/90/17/52/372901752.db2.gz QDEBILUHRDGZMJ-OAHLLOKOSA-N 1 1 283.375 3.282 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000172173552 372919413 /nfs/dbraw/zinc/91/94/13/372919413.db2.gz VTYPANNLQSIFPL-UHFFFAOYSA-N 1 1 260.381 3.140 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cncc(Br)c1 ZINC000172189389 372922486 /nfs/dbraw/zinc/92/24/86/372922486.db2.gz BEHOPXCOMXXEIG-UHFFFAOYSA-N 1 1 267.170 3.018 20 30 CGEDMO N#Cc1ccccc1CN1CCC[N@H+](C2CCCC2)CC1 ZINC000172582152 372990149 /nfs/dbraw/zinc/99/01/49/372990149.db2.gz ZEKDXRXCWBSXFW-UHFFFAOYSA-N 1 1 283.419 3.009 20 30 CGEDMO C=CCC[N@H+](C)Cc1cccc(C(=O)OC)c1Cl ZINC000296153367 373038251 /nfs/dbraw/zinc/03/82/51/373038251.db2.gz YDCNPGXZGONANP-UHFFFAOYSA-N 1 1 267.756 3.135 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000441482179 373020465 /nfs/dbraw/zinc/02/04/65/373020465.db2.gz BZDSPIMHOTZNFP-OWCLPIDISA-N 1 1 278.440 3.064 20 30 CGEDMO N#C[C@H]1CC[C@@H]([NH2+]CC2(N3CCCCC3)CCCCC2)C1 ZINC000442636027 373061679 /nfs/dbraw/zinc/06/16/79/373061679.db2.gz RNFANJYHRDWXNC-DLBZAZTESA-N 1 1 289.467 3.457 20 30 CGEDMO COc1cc(C[N@H+]2CCCC[C@@H](C)C2)ccc1C#N ZINC000442836869 373100814 /nfs/dbraw/zinc/10/08/14/373100814.db2.gz IVGMIFVTKCWALC-CYBMUJFWSA-N 1 1 258.365 3.189 20 30 CGEDMO C[C@@H]1C[C@H](C)CN(C(C)(C)C[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000442722664 373070615 /nfs/dbraw/zinc/07/06/15/373070615.db2.gz XXYBOFCHALXAKO-QXSJWSMHSA-N 1 1 277.456 3.025 20 30 CGEDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC000443327759 373152117 /nfs/dbraw/zinc/15/21/17/373152117.db2.gz CWLHAEPZFNUPFG-CKEIUWERSA-N 1 1 291.822 3.173 20 30 CGEDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1CC#Cc1ccccc1Cl ZINC000443327759 373152123 /nfs/dbraw/zinc/15/21/23/373152123.db2.gz CWLHAEPZFNUPFG-CKEIUWERSA-N 1 1 291.822 3.173 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)C[C@@H](O)Cc1ccccc1 ZINC000173553421 373156670 /nfs/dbraw/zinc/15/66/70/373156670.db2.gz SPNKECGWSZWJBZ-SFHVURJKSA-N 1 1 288.435 3.242 20 30 CGEDMO COc1cccc(OCC[N@H+](CCC#N)CCC(C)C)c1 ZINC000443615308 373158219 /nfs/dbraw/zinc/15/82/19/373158219.db2.gz NJUSFRVIUOHWKX-UHFFFAOYSA-N 1 1 290.407 3.336 20 30 CGEDMO COc1cccc(OCC[N@@H+](CCC#N)CCC(C)C)c1 ZINC000443615308 373158225 /nfs/dbraw/zinc/15/82/25/373158225.db2.gz NJUSFRVIUOHWKX-UHFFFAOYSA-N 1 1 290.407 3.336 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000444624445 373214002 /nfs/dbraw/zinc/21/40/02/373214002.db2.gz LYBVKMBMUNLUQZ-RYUDHWBXSA-N 1 1 292.345 3.094 20 30 CGEDMO C=CC[C@@H]1[N@@H+](CCn2c(C)csc2=O)CCCC1(C)C ZINC000444786477 373273631 /nfs/dbraw/zinc/27/36/31/373273631.db2.gz UWIINIQNOZTRBZ-AWEZNQCLSA-N 1 1 294.464 3.285 20 30 CGEDMO CC(C)C(=O)Nc1ccc(C[NH2+]Cc2ccc(C#N)o2)cc1 ZINC000174253181 373276228 /nfs/dbraw/zinc/27/62/28/373276228.db2.gz ZKFBNGIQSKIBLR-UHFFFAOYSA-N 1 1 297.358 3.036 20 30 CGEDMO CCN1C[C@@H](C)[N@@H+](CCCCC(C)(C)C#N)C[C@H]1C ZINC000444670937 373230285 /nfs/dbraw/zinc/23/02/85/373230285.db2.gz BTNNBVHTCOEQCI-HUUCEWRRSA-N 1 1 265.445 3.121 20 30 CGEDMO CC[N@@H+]1C[C@@H](C)N(CCCCC(C)(C)C#N)C[C@H]1C ZINC000444670937 373230289 /nfs/dbraw/zinc/23/02/89/373230289.db2.gz BTNNBVHTCOEQCI-HUUCEWRRSA-N 1 1 265.445 3.121 20 30 CGEDMO CC[N@H+]1C[C@@H](C)N(CCCCC(C)(C)C#N)C[C@H]1C ZINC000444670937 373230295 /nfs/dbraw/zinc/23/02/95/373230295.db2.gz BTNNBVHTCOEQCI-HUUCEWRRSA-N 1 1 265.445 3.121 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444695520 373239583 /nfs/dbraw/zinc/23/95/83/373239583.db2.gz FKFDMTJOGKBLBT-JTQLQIEISA-N 1 1 286.272 3.472 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444695520 373239589 /nfs/dbraw/zinc/23/95/89/373239589.db2.gz FKFDMTJOGKBLBT-JTQLQIEISA-N 1 1 286.272 3.472 20 30 CGEDMO CCC[C@]1(CO)CCC[N@H+]1CCCCC(C)(C)C#N ZINC000444764953 373265559 /nfs/dbraw/zinc/26/55/59/373265559.db2.gz CRBHGRWESJWILO-MRXNPFEDSA-N 1 1 266.429 3.333 20 30 CGEDMO C=CCCC[N@@H+](C)Cc1csc([C@@H](C)OC)n1 ZINC000175247578 373438625 /nfs/dbraw/zinc/43/86/25/373438625.db2.gz CIHBOWGCPKEGNY-LLVKDONJSA-N 1 1 254.399 3.249 20 30 CGEDMO C=CCCC[N@H+](C)Cc1csc([C@@H](C)OC)n1 ZINC000175247578 373438630 /nfs/dbraw/zinc/43/86/30/373438630.db2.gz CIHBOWGCPKEGNY-LLVKDONJSA-N 1 1 254.399 3.249 20 30 CGEDMO N#CCCCC[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175821374 373525602 /nfs/dbraw/zinc/52/56/02/373525602.db2.gz FURHFMXUGCXZNA-KGLIPLIRSA-N 1 1 278.421 3.330 20 30 CGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C ZINC000068045658 541889523 /nfs/dbraw/zinc/88/95/23/541889523.db2.gz ULZJEANHYDFPCM-RDJZCZTQSA-N 1 1 289.419 3.029 20 30 CGEDMO CO[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)CC[C@H]1C ZINC000300119860 373619902 /nfs/dbraw/zinc/61/99/02/373619902.db2.gz IOIRMBLRXOVXNR-ZIAGYGMSSA-N 1 1 252.402 3.063 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2ccnc(OC)n2)CCCC1(C)C ZINC000449284413 373676383 /nfs/dbraw/zinc/67/63/83/373676383.db2.gz OTVNDFONWHJELQ-AWEZNQCLSA-N 1 1 275.396 3.052 20 30 CGEDMO C[C@@]12C[N@@H+](Cc3cc(C#N)cs3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000449448264 373729900 /nfs/dbraw/zinc/72/99/00/373729900.db2.gz GMYLFHPWHYBJNM-CLWVCHIJSA-N 1 1 270.401 3.264 20 30 CGEDMO CC[C@H]1CCCC[N@H+]1CCNc1snc(Cl)c1C#N ZINC000301292940 373733339 /nfs/dbraw/zinc/73/33/39/373733339.db2.gz UNGZHXTYMYQAMT-JTQLQIEISA-N 1 1 298.843 3.345 20 30 CGEDMO C=CCC1(C[NH2+][C@H]2CCN(CC)C[C@@H]2C)CCCC1 ZINC000449604037 373833590 /nfs/dbraw/zinc/83/35/90/373833590.db2.gz IVRFDSQPJUMRLJ-HOTGVXAUSA-N 1 1 264.457 3.443 20 30 CGEDMO CO[C@H]1CC[N@@H+](CCCCC(C)(C)C#N)[C@@H](C)C1 ZINC000302338553 373854085 /nfs/dbraw/zinc/85/40/85/373854085.db2.gz JVRXHZSXCPUORS-KBPBESRZSA-N 1 1 252.402 3.206 20 30 CGEDMO CC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)CC(C)C ZINC000179932626 373940356 /nfs/dbraw/zinc/94/03/56/373940356.db2.gz SMFSXRHBCAGJRE-UHFFFAOYSA-N 1 1 296.418 3.437 20 30 CGEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNc2c(C#N)cccc2C#N)C1 ZINC000302888875 374000317 /nfs/dbraw/zinc/00/03/17/374000317.db2.gz OSUCHLGWNMKYCE-CQSZACIVSA-N 1 1 296.418 3.352 20 30 CGEDMO C=CC[N@H+](CCCC(=O)CC)Cc1cccs1 ZINC000450220690 374005870 /nfs/dbraw/zinc/00/58/70/374005870.db2.gz KGUARJAJIYWOQV-UHFFFAOYSA-N 1 1 251.395 3.495 20 30 CGEDMO CO[C@H](Cc1ccccc1)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000450225235 374008167 /nfs/dbraw/zinc/00/81/67/374008167.db2.gz FVIAPJJQFUJUJG-LJQANCHMSA-N 1 1 294.398 3.248 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNc2ccc(C#N)cc2F)C1 ZINC000303187167 374011471 /nfs/dbraw/zinc/01/14/71/374011471.db2.gz YMGKPBDWXIFINK-OKILXGFUSA-N 1 1 289.398 3.477 20 30 CGEDMO CC#CC[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180560754 374022320 /nfs/dbraw/zinc/02/23/20/374022320.db2.gz IZLKQMDXZPFASM-GFCCVEGCSA-N 1 1 259.246 3.432 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cn(C)nc1-c1ccccc1 ZINC000180343216 373993354 /nfs/dbraw/zinc/99/33/54/373993354.db2.gz SFWKVUIUQXGIFU-UHFFFAOYSA-N 1 1 269.392 3.485 20 30 CGEDMO N#CCC[N@@H+](CCCC(=O)c1ccc(F)cc1)CC1CC1 ZINC000450461621 374145741 /nfs/dbraw/zinc/14/57/41/374145741.db2.gz BVDHBAYDRINSPC-UHFFFAOYSA-N 1 1 288.366 3.414 20 30 CGEDMO N#CCC[N@H+](CCCC(=O)c1ccc(F)cc1)CC1CC1 ZINC000450461621 374145752 /nfs/dbraw/zinc/14/57/52/374145752.db2.gz BVDHBAYDRINSPC-UHFFFAOYSA-N 1 1 288.366 3.414 20 30 CGEDMO CC[C@H]1CCCC[N@@H+]1CCN[C@@H](C)c1ccc(C#N)cc1 ZINC000181745013 374165428 /nfs/dbraw/zinc/16/54/28/374165428.db2.gz YIMLPWAWXRSDGO-YJBOKZPZSA-N 1 1 285.435 3.473 20 30 CGEDMO CC[C@H]1CCCC[N@H+]1CCN[C@@H](C)c1ccc(C#N)cc1 ZINC000181745013 374165432 /nfs/dbraw/zinc/16/54/32/374165432.db2.gz YIMLPWAWXRSDGO-YJBOKZPZSA-N 1 1 285.435 3.473 20 30 CGEDMO C[C@@H](C#N)C[N@H+](CCCC(=O)c1ccccc1)C1CC1 ZINC000450621197 374165638 /nfs/dbraw/zinc/16/56/38/374165638.db2.gz ZUCWXRDQVSRGSU-AWEZNQCLSA-N 1 1 270.376 3.274 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](CCCC(=O)c1ccccc1)C1CC1 ZINC000450621197 374165642 /nfs/dbraw/zinc/16/56/42/374165642.db2.gz ZUCWXRDQVSRGSU-AWEZNQCLSA-N 1 1 270.376 3.274 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](N(C)Cc2ccc(C#N)cc2Cl)C1 ZINC000452117127 374240009 /nfs/dbraw/zinc/24/00/09/374240009.db2.gz NVCHHMPOWQTDCG-OAHLLOKOSA-N 1 1 291.826 3.126 20 30 CGEDMO Cc1c(C[NH2+]Cc2ccc(C#N)cc2F)cccc1[N+](=O)[O-] ZINC000318015622 374341197 /nfs/dbraw/zinc/34/11/97/374341197.db2.gz JQDCEVHJHWLVBI-UHFFFAOYSA-N 1 1 299.305 3.204 20 30 CGEDMO CC1(C)C[N@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1[C@H]1CCCO1 ZINC000334153918 206107780 /nfs/dbraw/zinc/10/77/80/206107780.db2.gz PTXMLGZENSREBK-HZPDHXFCSA-N 1 1 288.366 3.087 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1[C@H]1CCCO1 ZINC000334153918 206107784 /nfs/dbraw/zinc/10/77/84/206107784.db2.gz PTXMLGZENSREBK-HZPDHXFCSA-N 1 1 288.366 3.087 20 30 CGEDMO C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000334150404 374650145 /nfs/dbraw/zinc/65/01/45/374650145.db2.gz IZZGPRYDOOPFCH-BJOHPYRUSA-N 1 1 288.347 3.371 20 30 CGEDMO CC[C@H]1[C@@H](C)CC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000185667052 374709978 /nfs/dbraw/zinc/70/99/78/374709978.db2.gz DDLXNJXOSVMMIA-BBRMVZONSA-N 1 1 285.391 3.007 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C(C)(C)C1 ZINC000459361724 374805514 /nfs/dbraw/zinc/80/55/14/374805514.db2.gz PQLPYAPZKSBLNN-LLVKDONJSA-N 1 1 273.336 3.087 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@H]1CC(C)C ZINC000466668911 374967719 /nfs/dbraw/zinc/96/77/19/374967719.db2.gz ZRTRAZMRQUCHMD-INIZCTEOSA-N 1 1 278.440 3.088 20 30 CGEDMO CC(C)C[C@H](CO)[N@@H+](C)CC#Cc1ccccc1Cl ZINC000481423339 375165540 /nfs/dbraw/zinc/16/55/40/375165540.db2.gz MUIUYCCPQMPNGH-OAHLLOKOSA-N 1 1 279.811 3.030 20 30 CGEDMO CC[C@@](C)(O)C[N@@H+](Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000188580427 375237197 /nfs/dbraw/zinc/23/71/97/375237197.db2.gz OOYYWMPHCHHLOA-GOSISDBHSA-N 1 1 298.386 3.314 20 30 CGEDMO C[C@@H](C#N)C[N@H+](CCOc1ccc(Cl)c(F)c1)C1CC1 ZINC000484074413 375187529 /nfs/dbraw/zinc/18/75/29/375187529.db2.gz JZEBMGUUTSCRDE-NSHDSACASA-N 1 1 296.773 3.482 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](CCOc1ccc(Cl)c(F)c1)C1CC1 ZINC000484074413 375187535 /nfs/dbraw/zinc/18/75/35/375187535.db2.gz JZEBMGUUTSCRDE-NSHDSACASA-N 1 1 296.773 3.482 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1CCC[C@@H]1C ZINC000487971991 375290000 /nfs/dbraw/zinc/29/00/00/375290000.db2.gz LHGIBWRVQTWFNG-SUMWQHHRSA-N 1 1 290.382 3.334 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000488120048 375305038 /nfs/dbraw/zinc/30/50/38/375305038.db2.gz DCLLSTAABOKKHW-CVEARBPZSA-N 1 1 251.414 3.481 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000489477560 375318214 /nfs/dbraw/zinc/31/82/14/375318214.db2.gz PASJJUPMAYHOQD-HNNXBMFYSA-N 1 1 265.360 3.351 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000489477560 375318218 /nfs/dbraw/zinc/31/82/18/375318218.db2.gz PASJJUPMAYHOQD-HNNXBMFYSA-N 1 1 265.360 3.351 20 30 CGEDMO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCCCNC2)CC1 ZINC000335498683 375323926 /nfs/dbraw/zinc/32/39/26/375323926.db2.gz SRJMVCUHWTXUQX-XBMUEBEBSA-N 1 1 297.446 3.122 20 30 CGEDMO Cc1nc(SCC[N@H+](C)Cc2ccccc2)ccc1C#N ZINC000487763004 375274548 /nfs/dbraw/zinc/27/45/48/375274548.db2.gz SBIFWXOHYJTLSM-UHFFFAOYSA-N 1 1 297.427 3.486 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCCC#N)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000494380086 375488543 /nfs/dbraw/zinc/48/85/43/375488543.db2.gz DUBRQIKSOXTHKX-UONOGXRCSA-N 1 1 295.427 3.010 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000496771317 375554475 /nfs/dbraw/zinc/55/44/75/375554475.db2.gz CHSPWYGWDFOCPB-KGLIPLIRSA-N 1 1 282.428 3.330 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2cc(C#N)cs2)CCC1(F)F ZINC000336011941 375616633 /nfs/dbraw/zinc/61/66/33/375616633.db2.gz FTHSTXXFCXHAFR-SECBINFHSA-N 1 1 256.321 3.097 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)CCC1(F)F ZINC000336011941 375616635 /nfs/dbraw/zinc/61/66/35/375616635.db2.gz FTHSTXXFCXHAFR-SECBINFHSA-N 1 1 256.321 3.097 20 30 CGEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cc(C#N)n(C)c2)C1 ZINC000191433758 375627783 /nfs/dbraw/zinc/62/77/83/375627783.db2.gz XRIAQIJDYXEHIL-UKRRQHHQSA-N 1 1 277.437 3.003 20 30 CGEDMO Cc1ccccc1OCCC[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191262421 375602282 /nfs/dbraw/zinc/60/22/82/375602282.db2.gz UNRIKMYWDBFVDQ-UHFFFAOYSA-N 1 1 297.402 3.106 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)cc1C#N ZINC000191260119 375602590 /nfs/dbraw/zinc/60/25/90/375602590.db2.gz XSCPVKMYQXAJJU-QGZVFWFLSA-N 1 1 297.377 3.243 20 30 CGEDMO C=CCOc1cccc(CN2CCC[N@H+](C(C)C)CC2)c1 ZINC000505259350 375657186 /nfs/dbraw/zinc/65/71/86/375657186.db2.gz GRJJWOWUKDZSOQ-UHFFFAOYSA-N 1 1 288.435 3.168 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cccc(-c2cccnc2)c1 ZINC000191755888 375659947 /nfs/dbraw/zinc/65/99/47/375659947.db2.gz VSFDDZPZQVWDII-UHFFFAOYSA-N 1 1 282.387 3.383 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@]2(C)Cc2ccccc2)cc1C#N ZINC000191501954 375635242 /nfs/dbraw/zinc/63/52/42/375635242.db2.gz WFEHOJGXJZVLIC-LJQANCHMSA-N 1 1 293.414 3.494 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cnc([C@H]2CCCO2)s1 ZINC000505872970 375661764 /nfs/dbraw/zinc/66/17/64/375661764.db2.gz SXYOOVWVJFSATL-CYBMUJFWSA-N 1 1 266.410 3.393 20 30 CGEDMO Cc1ncsc1C[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192016226 375689798 /nfs/dbraw/zinc/68/97/98/375689798.db2.gz PLOQZINDCUAYTD-UHFFFAOYSA-N 1 1 275.352 3.094 20 30 CGEDMO Cc1ncsc1C[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192016226 375689805 /nfs/dbraw/zinc/68/98/05/375689805.db2.gz PLOQZINDCUAYTD-UHFFFAOYSA-N 1 1 275.352 3.094 20 30 CGEDMO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)o1 ZINC000192179995 375708589 /nfs/dbraw/zinc/70/85/89/375708589.db2.gz SZOFXTPYRQDRLI-NSHDSACASA-N 1 1 258.296 3.450 20 30 CGEDMO C=C(C)CC[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000508976500 375766990 /nfs/dbraw/zinc/76/69/90/375766990.db2.gz HAXPFBWYJGZNAO-QGZVFWFLSA-N 1 1 257.377 3.127 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000511627376 375791419 /nfs/dbraw/zinc/79/14/19/375791419.db2.gz NDTSNRFTALUBGG-OLZOCXBDSA-N 1 1 279.346 3.226 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)C[C@H]1CCCCO1 ZINC000519505601 375840530 /nfs/dbraw/zinc/84/05/30/375840530.db2.gz HTNMLRMFGRAMAY-QGZVFWFLSA-N 1 1 259.393 3.286 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@@](CO)(CCC)C1 ZINC000519478869 375840543 /nfs/dbraw/zinc/84/05/43/375840543.db2.gz ZCNTZJWJUKEUEE-SFHVURJKSA-N 1 1 289.419 3.236 20 30 CGEDMO C=CCCCCC[N@@H+]1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000193449459 375879695 /nfs/dbraw/zinc/87/96/95/375879695.db2.gz AQZYJSHEZNCELL-ARFHVFGLSA-N 1 1 267.413 3.001 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@@H]1[C@H](C)CC ZINC000525328229 375883118 /nfs/dbraw/zinc/88/31/18/375883118.db2.gz GNAGRJKJQOLGQV-HZPDHXFCSA-N 1 1 278.440 3.088 20 30 CGEDMO CC(C)(C)c1ncc2c(n1)CC[N@@H+](CCC(C)(C)C#N)C2 ZINC000528590721 375906432 /nfs/dbraw/zinc/90/64/32/375906432.db2.gz ALXHSMLEWWEIFC-UHFFFAOYSA-N 1 1 286.423 3.072 20 30 CGEDMO CC(C)(C)c1ncc2c(n1)CC[N@H+](CCC(C)(C)C#N)C2 ZINC000528590721 375906439 /nfs/dbraw/zinc/90/64/39/375906439.db2.gz ALXHSMLEWWEIFC-UHFFFAOYSA-N 1 1 286.423 3.072 20 30 CGEDMO COc1cccc(CCC[N@@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000532818363 375953735 /nfs/dbraw/zinc/95/37/35/375953735.db2.gz TXFRPFSLEUNLEN-CQSZACIVSA-N 1 1 272.392 3.252 20 30 CGEDMO Cc1nc(NCC[N@H+](C)C2CCCC2)c(Cl)cc1C#N ZINC000336829933 375990260 /nfs/dbraw/zinc/99/02/60/375990260.db2.gz FATKVPRPMPBNIG-UHFFFAOYSA-N 1 1 292.814 3.201 20 30 CGEDMO Cc1ncc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)s1 ZINC000194957368 376064625 /nfs/dbraw/zinc/06/46/25/376064625.db2.gz PKSYIHFDRKBFLP-UHFFFAOYSA-N 1 1 283.400 3.488 20 30 CGEDMO Cc1ncc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)s1 ZINC000194957368 376064629 /nfs/dbraw/zinc/06/46/29/376064629.db2.gz PKSYIHFDRKBFLP-UHFFFAOYSA-N 1 1 283.400 3.488 20 30 CGEDMO CC[C@@H](C)[N@H+](CCC(C)(C)C#N)CC(=O)OC(C)(C)C ZINC000537365964 376166020 /nfs/dbraw/zinc/16/60/20/376166020.db2.gz HXMSSTIROPDJGK-CYBMUJFWSA-N 1 1 282.428 3.368 20 30 CGEDMO CC[C@@H](C)[N@@H+](CCC(C)(C)C#N)CC(=O)OC(C)(C)C ZINC000537365964 376166026 /nfs/dbraw/zinc/16/60/26/376166026.db2.gz HXMSSTIROPDJGK-CYBMUJFWSA-N 1 1 282.428 3.368 20 30 CGEDMO COc1cccc(C[N@H+](C)Cc2cccc(C#N)c2F)c1 ZINC000223518299 376255081 /nfs/dbraw/zinc/25/50/81/376255081.db2.gz ZXYZZKQSNBFBSB-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO COc1cccc(C[N@@H+](C)Cc2cccc(C#N)c2F)c1 ZINC000223518299 376255088 /nfs/dbraw/zinc/25/50/88/376255088.db2.gz ZXYZZKQSNBFBSB-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2C[C@@H](O)[C@@H](CC)C2)cc1Cl ZINC000538794302 376273166 /nfs/dbraw/zinc/27/31/66/376273166.db2.gz SXJAUBRHUMGWLF-DZGCQCFKSA-N 1 1 295.810 3.108 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000539388890 376306858 /nfs/dbraw/zinc/30/68/58/376306858.db2.gz YSTHSSNXEWDJMB-PMPSAXMXSA-N 1 1 295.471 3.151 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000539198032 376299061 /nfs/dbraw/zinc/29/90/61/376299061.db2.gz AYTNUHNLRIXBPS-ZDUSSCGKSA-N 1 1 278.371 3.441 20 30 CGEDMO C=CCCC[C@@H](C)[N@@H+](C)CC(=O)NCc1cccs1 ZINC000539250179 376301800 /nfs/dbraw/zinc/30/18/00/376301800.db2.gz FPDYKPZDYUBLND-CYBMUJFWSA-N 1 1 280.437 3.041 20 30 CGEDMO C=C(CC)C[N@@H+](C)[C@H](CO)c1cccc(Br)c1 ZINC000540197898 376366017 /nfs/dbraw/zinc/36/60/17/376366017.db2.gz QLQGMUDOYWTNCR-CQSZACIVSA-N 1 1 298.224 3.381 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000540296708 376369579 /nfs/dbraw/zinc/36/95/79/376369579.db2.gz BDWRJJJDUXSVQD-CABCVRRESA-N 1 1 261.413 3.029 20 30 CGEDMO CC1(C)CC[N@@H+](Cc2ccc(C#N)cc2)CCS1 ZINC000228087919 376427181 /nfs/dbraw/zinc/42/71/81/376427181.db2.gz KCBMJIVHKYUSSR-UHFFFAOYSA-N 1 1 260.406 3.276 20 30 CGEDMO CC(C)n1cc([C@@H](C)[NH2+]Cc2ccccc2C#N)cn1 ZINC000541643309 376471500 /nfs/dbraw/zinc/47/15/00/376471500.db2.gz SADICKIJXLHMHN-CYBMUJFWSA-N 1 1 268.364 3.186 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](c3nccs3)C2)C1 ZINC000338947320 376595185 /nfs/dbraw/zinc/59/51/85/376595185.db2.gz DZFICXANRWSXNJ-JHJVBQTASA-N 1 1 261.394 3.015 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1ccccn1 ZINC000264312533 190103496 /nfs/dbraw/zinc/10/34/96/190103496.db2.gz ZAMCXSIITJSHBC-ZDUSSCGKSA-N 1 1 251.333 3.146 20 30 CGEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCO1 ZINC000338938980 376584844 /nfs/dbraw/zinc/58/48/44/376584844.db2.gz OUPVBIXIKLSUEX-KRWDZBQOSA-N 1 1 272.392 3.195 20 30 CGEDMO Cc1[nH+]c2ccccc2c(N(C)C[C@H](C)C#N)c1C ZINC000543136101 376611652 /nfs/dbraw/zinc/61/16/52/376611652.db2.gz VXUJNNKIIVZSBF-LLVKDONJSA-N 1 1 253.349 3.448 20 30 CGEDMO COc1cc(C[NH2+]C(C)(C)c2nccs2)ccc1C#N ZINC000234897432 376623553 /nfs/dbraw/zinc/62/35/53/376623553.db2.gz UABJYRFSISCRJN-UHFFFAOYSA-N 1 1 287.388 3.048 20 30 CGEDMO COc1cc(C[N@@H+]2CCc3sccc3C2)ccc1C#N ZINC000235002522 376630432 /nfs/dbraw/zinc/63/04/32/376630432.db2.gz QNXIIJUNHVXYTO-UHFFFAOYSA-N 1 1 284.384 3.187 20 30 CGEDMO COc1cc(C[N@H+]2CCc3sccc3C2)ccc1C#N ZINC000235002522 376630436 /nfs/dbraw/zinc/63/04/36/376630436.db2.gz QNXIIJUNHVXYTO-UHFFFAOYSA-N 1 1 284.384 3.187 20 30 CGEDMO C=C(C)C[N@@H+](CC)C[C@@H](O)COc1cc(C)ccc1Cl ZINC000543449624 376644209 /nfs/dbraw/zinc/64/42/09/376644209.db2.gz OMNHDAZLHKQTSU-CQSZACIVSA-N 1 1 297.826 3.286 20 30 CGEDMO Cc1cccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)n1 ZINC000543762837 376675110 /nfs/dbraw/zinc/67/51/10/376675110.db2.gz DNZCMZXNISJJGP-LBPRGKRZSA-N 1 1 269.323 3.252 20 30 CGEDMO C=CCOCC[N@H+](C)[C@]1(c2ccccc2)CCCCC1=O ZINC000339108228 376684158 /nfs/dbraw/zinc/68/41/58/376684158.db2.gz NGDBIQWCHGUSKO-SFHVURJKSA-N 1 1 287.403 3.159 20 30 CGEDMO CC1(C)C[N@@H+](CCCSCC#N)[C@@H]2CCC[C@H]21 ZINC000339719407 376821589 /nfs/dbraw/zinc/82/15/89/376821589.db2.gz OPNLTJXTWXOFIU-CHWSQXEVSA-N 1 1 252.427 3.144 20 30 CGEDMO C[C@H]1CC[N@@H+](CC(C)(C)CCC#N)C[C@H]1n1ccnc1 ZINC000245752665 376901115 /nfs/dbraw/zinc/90/11/15/376901115.db2.gz HGPOHGRJFQVARZ-LSDHHAIUSA-N 1 1 274.412 3.096 20 30 CGEDMO C=C(C)CN1CCCC2(CCC[N@H+](CC(=C)C)C2)C1 ZINC000554946807 376853358 /nfs/dbraw/zinc/85/33/58/376853358.db2.gz MZPLGCPILYLQEB-UHFFFAOYSA-N 1 1 262.441 3.317 20 30 CGEDMO C=C(C)CN1CCCC2(CCC[N@@H+](CC(=C)C)C2)C1 ZINC000554946807 376853369 /nfs/dbraw/zinc/85/33/69/376853369.db2.gz MZPLGCPILYLQEB-UHFFFAOYSA-N 1 1 262.441 3.317 20 30 CGEDMO C=CCC[C@H](NCC[N@H+]1CC[C@@H](C)C1)c1ccco1 ZINC000556874038 376894578 /nfs/dbraw/zinc/89/45/78/376894578.db2.gz ZOQRGLJFJAQHGR-CABCVRRESA-N 1 1 262.397 3.218 20 30 CGEDMO C=CCC[C@H](NCC[N@@H+]1CC[C@@H](C)C1)c1ccco1 ZINC000556874038 376894582 /nfs/dbraw/zinc/89/45/82/376894582.db2.gz ZOQRGLJFJAQHGR-CABCVRRESA-N 1 1 262.397 3.218 20 30 CGEDMO C=CCc1cc(C[N@H+]2CC[C@@H](C)[C@@H]2C)cc(OC)c1O ZINC000246475081 377037472 /nfs/dbraw/zinc/03/74/72/377037472.db2.gz OQHPTTHSTXVPLB-OLZOCXBDSA-N 1 1 275.392 3.360 20 30 CGEDMO CC(C)(C#N)CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000247005648 377136098 /nfs/dbraw/zinc/13/60/98/377136098.db2.gz XDUFVGIGHZVZDP-RDJZCZTQSA-N 1 1 289.467 3.265 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000247005648 377136104 /nfs/dbraw/zinc/13/61/04/377136104.db2.gz XDUFVGIGHZVZDP-RDJZCZTQSA-N 1 1 289.467 3.265 20 30 CGEDMO CC(C)(C#N)CCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247005648 377136113 /nfs/dbraw/zinc/13/61/13/377136113.db2.gz XDUFVGIGHZVZDP-RDJZCZTQSA-N 1 1 289.467 3.265 20 30 CGEDMO CC(C)(C#N)CCCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247005648 377136120 /nfs/dbraw/zinc/13/61/20/377136120.db2.gz XDUFVGIGHZVZDP-RDJZCZTQSA-N 1 1 289.467 3.265 20 30 CGEDMO Cc1ccc(C)c([C@H]2C[N@H+](CCCC#N)[C@@H](C)CO2)c1 ZINC000247495489 377213791 /nfs/dbraw/zinc/21/37/91/377213791.db2.gz LFJNRHKBLNDEQX-DOTOQJQBSA-N 1 1 272.392 3.369 20 30 CGEDMO Cc1ccc(C)c([C@H]2C[N@@H+](CCCC#N)[C@@H](C)CO2)c1 ZINC000247495489 377213796 /nfs/dbraw/zinc/21/37/96/377213796.db2.gz LFJNRHKBLNDEQX-DOTOQJQBSA-N 1 1 272.392 3.369 20 30 CGEDMO CC(C)n1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2)n1 ZINC000561492708 377230416 /nfs/dbraw/zinc/23/04/16/377230416.db2.gz NMFNRCWDTUKDQW-CYBMUJFWSA-N 1 1 268.364 3.186 20 30 CGEDMO CC(C)n1ccc(C[NH2+][C@@H](C)c2cccc(C#N)c2)n1 ZINC000561492712 377230981 /nfs/dbraw/zinc/23/09/81/377230981.db2.gz NMFNRCWDTUKDQW-ZDUSSCGKSA-N 1 1 268.364 3.186 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1C[C@@H](O)Cc1cccc(Cl)c1 ZINC000561886777 377250349 /nfs/dbraw/zinc/25/03/49/377250349.db2.gz MIDXTODUTUXLAV-HOTGVXAUSA-N 1 1 279.811 3.284 20 30 CGEDMO CCC[C@H](C)[N@@H+](C)Cc1cn2ccccc2c1C#N ZINC000340880983 377300394 /nfs/dbraw/zinc/30/03/94/377300394.db2.gz CRFDSJBCDPVUTM-ZDUSSCGKSA-N 1 1 255.365 3.431 20 30 CGEDMO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000340883817 377303002 /nfs/dbraw/zinc/30/30/02/377303002.db2.gz WTZRYCILCWYFRV-MRXNPFEDSA-N 1 1 283.350 3.373 20 30 CGEDMO Cn1cccc1[C@H]1CCC[N@H+]1Cc1cccc(C#N)c1F ZINC000340883817 377303013 /nfs/dbraw/zinc/30/30/13/377303013.db2.gz WTZRYCILCWYFRV-MRXNPFEDSA-N 1 1 283.350 3.373 20 30 CGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCC[C@@H](C)C1 ZINC000248566667 377350705 /nfs/dbraw/zinc/35/07/05/377350705.db2.gz OYZDWDZGPDDNKG-ZIAGYGMSSA-N 1 1 285.391 3.007 20 30 CGEDMO CC[C@@H](C)C[N@@H+](C)Cc1cn2ccccc2c1C#N ZINC000341005496 377353791 /nfs/dbraw/zinc/35/37/91/377353791.db2.gz FPRAJAYGPKEEDU-CYBMUJFWSA-N 1 1 255.365 3.289 20 30 CGEDMO C[C@@H]1CN(c2cccc(Cl)c2)CC[N@H+]1CCCC#N ZINC000567181271 377504569 /nfs/dbraw/zinc/50/45/69/377504569.db2.gz CEFSFLGMFLZSAS-CYBMUJFWSA-N 1 1 277.799 3.154 20 30 CGEDMO COc1cccc(C[C@@H]2CCC[N@H+]2CC2(C#N)CCC2)c1 ZINC000567214340 377505809 /nfs/dbraw/zinc/50/58/09/377505809.db2.gz CXULPBIHYMOZLR-INIZCTEOSA-N 1 1 284.403 3.396 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+][C@H]1CCc2sc(Cl)cc21 ZINC000567290794 377506140 /nfs/dbraw/zinc/50/61/40/377506140.db2.gz PEKOLJPFUVDBAP-KOLCDFICSA-N 1 1 279.796 3.422 20 30 CGEDMO N#CC1(C[NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)CCC1 ZINC000564043529 377474134 /nfs/dbraw/zinc/47/41/34/377474134.db2.gz OXEUERIEHFEVJQ-ZDUSSCGKSA-N 1 1 298.308 3.022 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000565874454 377490785 /nfs/dbraw/zinc/49/07/85/377490785.db2.gz KIVVOUKYPLUZNH-HNNXBMFYSA-N 1 1 267.413 3.396 20 30 CGEDMO C[N@H+](CCOc1cccc(Cl)c1)CC(C)(C)C#N ZINC000568314871 377518420 /nfs/dbraw/zinc/51/84/20/377518420.db2.gz OEERIOIKPVQPKZ-UHFFFAOYSA-N 1 1 266.772 3.200 20 30 CGEDMO C[N@@H+](CCOc1cccc(Cl)c1)CC(C)(C)C#N ZINC000568314871 377518428 /nfs/dbraw/zinc/51/84/28/377518428.db2.gz OEERIOIKPVQPKZ-UHFFFAOYSA-N 1 1 266.772 3.200 20 30 CGEDMO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)C#N)[C@H]1Sc1ccccc1 ZINC000571858955 377544482 /nfs/dbraw/zinc/54/44/82/377544482.db2.gz SJZPTQGOJQMYDT-ARLBYUKCSA-N 1 1 290.432 3.074 20 30 CGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H]2C2CCCC2)cc1 ZINC000250066729 377548522 /nfs/dbraw/zinc/54/85/22/377548522.db2.gz YDQKULJHVOPUHV-ROUUACIJSA-N 1 1 284.403 3.246 20 30 CGEDMO C=CC[N@@H+](CC1(C)CC1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000572672447 377550632 /nfs/dbraw/zinc/55/06/32/377550632.db2.gz BOEBLBYSOYXAQW-AWEZNQCLSA-N 1 1 297.406 3.011 20 30 CGEDMO Cc1ccnc([C@@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)c1 ZINC000573134430 377554673 /nfs/dbraw/zinc/55/46/73/377554673.db2.gz JHNDNIHLCGZDHM-QGZVFWFLSA-N 1 1 294.373 3.370 20 30 CGEDMO C[C@H]1CCC[N@@H+](CCOc2ccccc2C#N)[C@H]1C ZINC000251606309 377590664 /nfs/dbraw/zinc/59/06/64/377590664.db2.gz BXHCIWOZUYOSGC-KBPBESRZSA-N 1 1 258.365 3.057 20 30 CGEDMO C=CC[NH+](CC=C)[C@H](CN[C@H](C)c1c[nH]nc1C)C(C)C ZINC000180091461 542205685 /nfs/dbraw/zinc/20/56/85/542205685.db2.gz HDJKXIVPIJOPPX-RHSMWYFYSA-N 1 1 290.455 3.067 20 30 CGEDMO C[C@H]1CCC[N@@H+](CCCOc2cccc(C#N)c2)[C@H]1C ZINC000252201210 377617612 /nfs/dbraw/zinc/61/76/12/377617612.db2.gz UBYLORFQEUVFOC-GJZGRUSLSA-N 1 1 272.392 3.448 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c1C ZINC000342039937 377628674 /nfs/dbraw/zinc/62/86/74/377628674.db2.gz MADPDXGASXUGOY-BETUJISGSA-N 1 1 274.408 3.346 20 30 CGEDMO C=CCC[N@@H+](C)[C@H](C)c1nc(Cc2ccc(F)cc2)no1 ZINC000342715392 377751132 /nfs/dbraw/zinc/75/11/32/377751132.db2.gz AWDPIVNGVMYVDL-GFCCVEGCSA-N 1 1 289.354 3.368 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)c1nc(Cc2ccc(F)cc2)no1 ZINC000342715392 377751142 /nfs/dbraw/zinc/75/11/42/377751142.db2.gz AWDPIVNGVMYVDL-GFCCVEGCSA-N 1 1 289.354 3.368 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000342722564 377756612 /nfs/dbraw/zinc/75/66/12/377756612.db2.gz NVRJUHDHBSYYJV-UHFFFAOYSA-N 1 1 267.756 3.119 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000342730282 377759800 /nfs/dbraw/zinc/75/98/00/377759800.db2.gz JIBRFAQJBGIALT-OAHLLOKOSA-N 1 1 274.408 3.447 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000342734085 377762731 /nfs/dbraw/zinc/76/27/31/377762731.db2.gz GWGGMPHRBYDQCH-QGZVFWFLSA-N 1 1 275.392 3.252 20 30 CGEDMO N#CC1(C[N@@H+](CCc2ccc(F)cc2)C2CC2)CC1 ZINC000343318654 377951977 /nfs/dbraw/zinc/95/19/77/377951977.db2.gz YSTKNWXALBJIKH-UHFFFAOYSA-N 1 1 258.340 3.136 20 30 CGEDMO N#CC1(C[N@H+](CCc2ccc(F)cc2)C2CC2)CC1 ZINC000343318654 377951982 /nfs/dbraw/zinc/95/19/82/377951982.db2.gz YSTKNWXALBJIKH-UHFFFAOYSA-N 1 1 258.340 3.136 20 30 CGEDMO N#CCc1ccc(C[N@@H+]2CCO[C@H](c3ccsc3)C2)cc1 ZINC000343540384 378013155 /nfs/dbraw/zinc/01/31/55/378013155.db2.gz RHIHRQSBUMKCMJ-KRWDZBQOSA-N 1 1 298.411 3.388 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCO[C@H](c3ccsc3)C2)cc1 ZINC000343540384 378013164 /nfs/dbraw/zinc/01/31/64/378013164.db2.gz RHIHRQSBUMKCMJ-KRWDZBQOSA-N 1 1 298.411 3.388 20 30 CGEDMO CCC[C@@H]1CN(CC2(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000343402541 377971209 /nfs/dbraw/zinc/97/12/09/377971209.db2.gz LXBYLIDFMQHBRY-GOSISDBHSA-N 1 1 297.446 3.277 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CC[C@@H](C)[C@@H](OC)C1 ZINC000343468170 377988454 /nfs/dbraw/zinc/98/84/54/377988454.db2.gz LKJBMUINQVLYIG-PBHICJAKSA-N 1 1 275.392 3.108 20 30 CGEDMO N#Cc1ccc(N2CCC(c3[nH]cc[nH+]3)CC2)cc1Cl ZINC000264942056 377994950 /nfs/dbraw/zinc/99/49/50/377994950.db2.gz SEKBSUJWNSDNMD-UHFFFAOYSA-N 1 1 286.766 3.319 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2nc(C#N)cs2)[C@H]2CCCC[C@@H]12 ZINC000575844302 377995313 /nfs/dbraw/zinc/99/53/13/377995313.db2.gz WNTCASISFBYCLA-XBFCOCLRSA-N 1 1 275.421 3.415 20 30 CGEDMO CC[N@@H+](Cc1ccc(OCC#N)cc1)[C@@H](C)C(C)C ZINC000264986433 377996141 /nfs/dbraw/zinc/99/61/41/377996141.db2.gz LWQHMFGKTYLRQY-AWEZNQCLSA-N 1 1 260.381 3.455 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](CCOC)[C@@H](C)c1ccccc1 ZINC000268532190 378071503 /nfs/dbraw/zinc/07/15/03/378071503.db2.gz IVCUJUCAQOSDJT-RDJZCZTQSA-N 1 1 277.408 3.023 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CCS1 ZINC000266534314 378023088 /nfs/dbraw/zinc/02/30/88/378023088.db2.gz GZDQHLUHENLFCM-INIZCTEOSA-N 1 1 290.432 3.162 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000578901604 378112315 /nfs/dbraw/zinc/11/23/15/378112315.db2.gz VUEHXZMQIINFFI-GXTWGEPZSA-N 1 1 265.422 3.458 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H]2CCC[C@H]21 ZINC000578993174 378121188 /nfs/dbraw/zinc/12/11/88/378121188.db2.gz SIGAUQZTNCMPSD-HUUCEWRRSA-N 1 1 299.374 3.477 20 30 CGEDMO C[C@H]1CCC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000579114889 378131008 /nfs/dbraw/zinc/13/10/08/378131008.db2.gz GZBCOQOPCGKFMV-SWLSCSKDSA-N 1 1 287.363 3.477 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000268680567 378089467 /nfs/dbraw/zinc/08/94/67/378089467.db2.gz WYVYAIKNDOEBJS-AAEUAGOBSA-N 1 1 269.335 3.285 20 30 CGEDMO C=CC[C@H]1[N@H+](CCOC[C@H]2CCCO2)CCCC1(C)C ZINC000579914236 378207291 /nfs/dbraw/zinc/20/72/91/378207291.db2.gz LSVPVJOLKFNZFW-HZPDHXFCSA-N 1 1 281.440 3.249 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCC[C@@H](C3CC3)C2)cc1 ZINC000344054093 378157109 /nfs/dbraw/zinc/15/71/09/378157109.db2.gz AUUPICXBGGHPEP-QGZVFWFLSA-N 1 1 254.377 3.375 20 30 CGEDMO CC[N@@H+](C[C@@H](C)C#N)[C@H](CCOC)c1ccccc1 ZINC000345394636 378274884 /nfs/dbraw/zinc/27/48/84/378274884.db2.gz HIITYSYNLJLVIK-GOEBONIOSA-N 1 1 260.381 3.246 20 30 CGEDMO Cc1[nH+]ccn1CCCN(C)c1ccc(Cl)cc1C#N ZINC000269490220 378228737 /nfs/dbraw/zinc/22/87/37/378228737.db2.gz NTPNMOIXLHIFGO-UHFFFAOYSA-N 1 1 288.782 3.243 20 30 CGEDMO Cc1ccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)o1 ZINC000269584445 378240230 /nfs/dbraw/zinc/24/02/30/378240230.db2.gz AWYWPJPPCMMOGZ-UHFFFAOYSA-N 1 1 252.317 3.239 20 30 CGEDMO C[C@@H](C#N)C[N@H+](C)CCc1cccc(OC(F)(F)F)c1 ZINC000269614814 378242399 /nfs/dbraw/zinc/24/23/99/378242399.db2.gz ZPXIAOHVPNUFJY-NSHDSACASA-N 1 1 286.297 3.219 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C)CCc1cccc(OC(F)(F)F)c1 ZINC000269614814 378242400 /nfs/dbraw/zinc/24/24/00/378242400.db2.gz ZPXIAOHVPNUFJY-NSHDSACASA-N 1 1 286.297 3.219 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595507115 378402413 /nfs/dbraw/zinc/40/24/13/378402413.db2.gz KBOMCSRUPSHWDA-YJBOKZPZSA-N 1 1 283.419 3.037 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000595507115 378402437 /nfs/dbraw/zinc/40/24/37/378402437.db2.gz KBOMCSRUPSHWDA-YJBOKZPZSA-N 1 1 283.419 3.037 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000595507115 378402444 /nfs/dbraw/zinc/40/24/44/378402444.db2.gz KBOMCSRUPSHWDA-YJBOKZPZSA-N 1 1 283.419 3.037 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595504619 378402615 /nfs/dbraw/zinc/40/26/15/378402615.db2.gz KQUOEPOKEPHGJX-MAUKXSAKSA-N 1 1 283.419 3.037 20 30 CGEDMO Cc1c(Br)cccc1C[N@@H+](C)C[C@@H](C)C#N ZINC000270572869 378371919 /nfs/dbraw/zinc/37/19/19/378371919.db2.gz ODSWZXIAQPDVLH-JTQLQIEISA-N 1 1 281.197 3.349 20 30 CGEDMO Cc1c(Br)cccc1C[N@H+](C)C[C@@H](C)C#N ZINC000270572869 378371924 /nfs/dbraw/zinc/37/19/24/378371924.db2.gz ODSWZXIAQPDVLH-JTQLQIEISA-N 1 1 281.197 3.349 20 30 CGEDMO C[C@H]1C[N@H+](CCC(C)(C)C#N)[C@@H](c2ccccc2)CO1 ZINC000270680772 378387818 /nfs/dbraw/zinc/38/78/18/378387818.db2.gz USUYXGQNGZHQQE-GOEBONIOSA-N 1 1 272.392 3.388 20 30 CGEDMO C[C@H]1C[N@@H+](CCC(C)(C)C#N)[C@@H](c2ccccc2)CO1 ZINC000270680772 378387823 /nfs/dbraw/zinc/38/78/23/378387823.db2.gz USUYXGQNGZHQQE-GOEBONIOSA-N 1 1 272.392 3.388 20 30 CGEDMO C#CCCC[N@H+](C)Cc1cc(OC)c(OC)cc1SC ZINC000270987105 378423167 /nfs/dbraw/zinc/42/31/67/378423167.db2.gz DIHVHJPGVAFKJY-UHFFFAOYSA-N 1 1 293.432 3.271 20 30 CGEDMO C=CC(C)(C)CCNC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000637319383 378482664 /nfs/dbraw/zinc/48/26/64/378482664.db2.gz BXOZYJQSFGHOPK-UHFFFAOYSA-N 1 1 295.471 3.105 20 30 CGEDMO Cc1cc(Br)cc(C[N@H+](C)C[C@H](C)C#N)c1O ZINC000271737462 378502786 /nfs/dbraw/zinc/50/27/86/378502786.db2.gz PAXNLBMZDSENHC-SECBINFHSA-N 1 1 297.196 3.055 20 30 CGEDMO C=CC[N@@H+](CCc1csc(C)n1)CCc1ccco1 ZINC000272346143 378616939 /nfs/dbraw/zinc/61/69/39/378616939.db2.gz ZNWYGKACCISHSL-UHFFFAOYSA-N 1 1 276.405 3.318 20 30 CGEDMO C=C(Cl)CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272812573 378708474 /nfs/dbraw/zinc/70/84/74/378708474.db2.gz NQZLRKLRJFPVOP-HOCLYGCPSA-N 1 1 278.827 3.239 20 30 CGEDMO C=C(Cl)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000272919088 378722477 /nfs/dbraw/zinc/72/24/77/378722477.db2.gz RKHXXWOMAUKAGR-GOEBONIOSA-N 1 1 278.827 3.382 20 30 CGEDMO CC[N@@H+](C)Cc1cccc(CNc2cccnc2C#N)c1 ZINC000273959481 378761571 /nfs/dbraw/zinc/76/15/71/378761571.db2.gz FPJKEUGEWAKZGG-UHFFFAOYSA-N 1 1 280.375 3.017 20 30 CGEDMO C=CCOCCC[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000348059648 378771044 /nfs/dbraw/zinc/77/10/44/378771044.db2.gz WJMHQCPKUNKGGV-UHFFFAOYSA-N 1 1 265.784 3.291 20 30 CGEDMO C=CC1CC[NH+](CC(=O)c2cc(C)n(CC)c2C)CC1 ZINC000348164051 378819038 /nfs/dbraw/zinc/81/90/38/378819038.db2.gz GCRRPWOVXHNSOP-UHFFFAOYSA-N 1 1 274.408 3.206 20 30 CGEDMO N#CC1(C[N@H+]2CCC[C@@H](OCc3ccccc3F)C2)CC1 ZINC000348238721 378856539 /nfs/dbraw/zinc/85/65/39/378856539.db2.gz ZCPIDCVFQVWMRC-OAHLLOKOSA-N 1 1 288.366 3.110 20 30 CGEDMO N#CC1(C[N@@H+]2CCC[C@@H](OCc3ccccc3F)C2)CC1 ZINC000348238721 378856545 /nfs/dbraw/zinc/85/65/45/378856545.db2.gz ZCPIDCVFQVWMRC-OAHLLOKOSA-N 1 1 288.366 3.110 20 30 CGEDMO CCn1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)cn1 ZINC000346860991 218040402 /nfs/dbraw/zinc/04/04/02/218040402.db2.gz DHOAJKGQXLNLRV-NEPJUHHUSA-N 1 1 286.354 3.326 20 30 CGEDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CCOc1ccccc1C#N ZINC000348246927 378862363 /nfs/dbraw/zinc/86/23/63/378862363.db2.gz NAIYLCVVKJYUTN-YPMHNXCESA-N 1 1 298.308 3.210 20 30 CGEDMO C[C@H](NCC(C)(C)C[NH+]1CCCC1)c1ccc(C#N)cc1 ZINC000276673717 378979291 /nfs/dbraw/zinc/97/92/91/378979291.db2.gz ZIKVDLAAKFZTPS-HNNXBMFYSA-N 1 1 285.435 3.331 20 30 CGEDMO C=CC[N@@H+](C[C@H]1CCN(c2ccccc2)C1)C1CC1 ZINC000639063541 378998017 /nfs/dbraw/zinc/99/80/17/378998017.db2.gz XTJFJBMWFUBXEU-OAHLLOKOSA-N 1 1 256.393 3.163 20 30 CGEDMO Cn1cc(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)cc1C#N ZINC000276787901 378998396 /nfs/dbraw/zinc/99/83/96/378998396.db2.gz RZDXYVCFBIRAPM-OAHLLOKOSA-N 1 1 283.350 3.025 20 30 CGEDMO N#Cc1cccc(C[NH2+][C@@H]2COc3c2cccc3Cl)c1 ZINC000370463360 379020846 /nfs/dbraw/zinc/02/08/46/379020846.db2.gz KCTFJJRVKHRITC-OAHLLOKOSA-N 1 1 284.746 3.435 20 30 CGEDMO C=C(C)C[N@H+](CCC[C@@H]1CCO1)Cc1cnn(C(C)C)c1 ZINC000639161383 379079941 /nfs/dbraw/zinc/07/99/41/379079941.db2.gz CXKAKCRTOZFJBV-QGZVFWFLSA-N 1 1 291.439 3.411 20 30 CGEDMO COc1cc(C[N@H+]2CCCC23CCC3)ccc1C#N ZINC000373022430 379209397 /nfs/dbraw/zinc/20/93/97/379209397.db2.gz IDZJEBSXQKVCGH-UHFFFAOYSA-N 1 1 256.349 3.085 20 30 CGEDMO CC[N@@H+](Cc1ccc(C(=O)N(C)[C@H](C)CC#N)cc1)C1CC1 ZINC000349434936 379282716 /nfs/dbraw/zinc/28/27/16/379282716.db2.gz VHOMXGLJSNJOFJ-CQSZACIVSA-N 1 1 299.418 3.045 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)s1 ZINC000374257482 379401380 /nfs/dbraw/zinc/40/13/80/379401380.db2.gz FCZBSJPGFPCFHC-CQSZACIVSA-N 1 1 284.384 3.273 20 30 CGEDMO CCn1cc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cn1 ZINC000374286106 379409401 /nfs/dbraw/zinc/40/94/01/379409401.db2.gz WWJGEIVYWZYQHM-UHFFFAOYSA-N 1 1 292.386 3.064 20 30 CGEDMO COc1ccc2c(c1)OCC[N@H+](CCCC(C)(C)C#N)C2 ZINC000374782597 379476834 /nfs/dbraw/zinc/47/68/34/379476834.db2.gz YAQAUWICHJYXAJ-UHFFFAOYSA-N 1 1 288.391 3.220 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccnn1-c1ccc(F)cc1 ZINC000280590147 379741922 /nfs/dbraw/zinc/74/19/22/379741922.db2.gz NCYPCGXUHGHHGS-UHFFFAOYSA-N 1 1 259.328 3.019 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000267455100 190331769 /nfs/dbraw/zinc/33/17/69/190331769.db2.gz OZKSXTTZTNMLTI-CHWSQXEVSA-N 1 1 251.395 3.212 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CCC(=O)c1ccc(OC)cc1 ZINC000352420344 379808238 /nfs/dbraw/zinc/80/82/38/379808238.db2.gz BRYSDZFIUAPXIV-HNNXBMFYSA-N 1 1 273.376 3.309 20 30 CGEDMO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC000280746865 379778625 /nfs/dbraw/zinc/77/86/25/379778625.db2.gz XLQCOGJLGGWTKF-RDJZCZTQSA-N 1 1 297.402 3.148 20 30 CGEDMO C=CC[N@H+](C)Cc1cc(C)c(Br)s1 ZINC000379384487 379862442 /nfs/dbraw/zinc/86/24/42/379862442.db2.gz OLAPXFBLPXIIHD-UHFFFAOYSA-N 1 1 260.200 3.437 20 30 CGEDMO C[C@@H]1C[C@H](C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)CCO1 ZINC000352700591 379915510 /nfs/dbraw/zinc/91/55/10/379915510.db2.gz SNMRXZAHFWDXCU-RHSMWYFYSA-N 1 1 284.403 3.338 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1cccc(C#N)c1 ZINC000389932036 379905859 /nfs/dbraw/zinc/90/58/59/379905859.db2.gz LJMMRBGVCGNBTR-DNVCBOLYSA-N 1 1 291.398 3.491 20 30 CGEDMO CO[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)[C@H](C)C1 ZINC000282377727 379907190 /nfs/dbraw/zinc/90/71/90/379907190.db2.gz OGDSWJHSPZLRSJ-IAQYHMDHSA-N 1 1 278.783 3.211 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)[C@H](C)C1 ZINC000282377727 379907193 /nfs/dbraw/zinc/90/71/93/379907193.db2.gz OGDSWJHSPZLRSJ-IAQYHMDHSA-N 1 1 278.783 3.211 20 30 CGEDMO CC[C@@]1(C)CC[N@@H+](Cc2cc(C#N)ccc2OC)C1 ZINC000399281329 379936831 /nfs/dbraw/zinc/93/68/31/379936831.db2.gz ASLJQXCUXLAMCF-INIZCTEOSA-N 1 1 258.365 3.189 20 30 CGEDMO COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1nc(C#N)cs1 ZINC000352843366 379998632 /nfs/dbraw/zinc/99/86/32/379998632.db2.gz ZGAMQZCQIMXIJJ-OAHLLOKOSA-N 1 1 299.399 3.191 20 30 CGEDMO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1cc(C)ccc1C ZINC000267861611 190359498 /nfs/dbraw/zinc/35/94/98/190359498.db2.gz IYLMWLBHPYMZDP-OAHLLOKOSA-N 1 1 272.392 3.304 20 30 CGEDMO CC(C)Oc1ccc(C[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000352857227 380007212 /nfs/dbraw/zinc/00/72/12/380007212.db2.gz YAKQLCYDKKYVQX-UHFFFAOYSA-N 1 1 287.388 3.092 20 30 CGEDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000352886133 380019606 /nfs/dbraw/zinc/01/96/06/380019606.db2.gz FSINZYDBWVPDJL-CRAIPNDOSA-N 1 1 286.419 3.268 20 30 CGEDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000352886136 380020107 /nfs/dbraw/zinc/02/01/07/380020107.db2.gz FSINZYDBWVPDJL-YJBOKZPZSA-N 1 1 286.419 3.268 20 30 CGEDMO CCC[N@H+](CCN1CCCC1)Cc1ccc(F)c(C#N)c1 ZINC000352891391 380023098 /nfs/dbraw/zinc/02/30/98/380023098.db2.gz CPVZTSJHZFTYGD-UHFFFAOYSA-N 1 1 289.398 3.005 20 30 CGEDMO CCC[N@@H+](CCN1CCCC1)Cc1ccc(F)c(C#N)c1 ZINC000352891391 380023100 /nfs/dbraw/zinc/02/31/00/380023100.db2.gz CPVZTSJHZFTYGD-UHFFFAOYSA-N 1 1 289.398 3.005 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000353006189 380071335 /nfs/dbraw/zinc/07/13/35/380071335.db2.gz FYYMVIAUZXXGBA-GFCCVEGCSA-N 1 1 274.355 3.268 20 30 CGEDMO C[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)CCS1 ZINC000411237876 380136850 /nfs/dbraw/zinc/13/68/50/380136850.db2.gz NYMNDSJLMVNABJ-CYBMUJFWSA-N 1 1 252.427 3.288 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000411313472 380138425 /nfs/dbraw/zinc/13/84/25/380138425.db2.gz XTPNYALVIGKUQV-SJLPKXTDSA-N 1 1 286.419 3.402 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](O)COc1ccc(SC)cc1 ZINC000411293976 380139813 /nfs/dbraw/zinc/13/98/13/380139813.db2.gz OWXPGEHCZXDMBE-CQSZACIVSA-N 1 1 295.448 3.046 20 30 CGEDMO C=CC[NH+](CC=C)[C@@H](CC)C(=O)Nc1ccc(OC)cc1 ZINC000411163679 380131692 /nfs/dbraw/zinc/13/16/92/380131692.db2.gz KKGOCNYNTXXGBH-INIZCTEOSA-N 1 1 288.391 3.086 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)[C@@H](C)C(=O)NC(C)(C)C ZINC000411202182 380133763 /nfs/dbraw/zinc/13/37/63/380133763.db2.gz UAEYLKOWTXHKMF-HNNXBMFYSA-N 1 1 288.435 3.020 20 30 CGEDMO CCC[N@@H+](CC(C)C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000411205083 380133990 /nfs/dbraw/zinc/13/39/90/380133990.db2.gz ZIBAPEGMZYUTGL-KRWDZBQOSA-N 1 1 299.418 3.032 20 30 CGEDMO N#CC1(CC[N@H+]2CCO[C@H]3CCC[C@@H]32)CCCCC1 ZINC000411189602 380134310 /nfs/dbraw/zinc/13/43/10/380134310.db2.gz MUBLKGYBJJIUMB-GJZGRUSLSA-N 1 1 262.397 3.104 20 30 CGEDMO CCCNC(=O)C[N@@H+](CCC)CCC1(C#N)CCCCC1 ZINC000411196771 380134607 /nfs/dbraw/zinc/13/46/07/380134607.db2.gz UPRYVSCCXIYZSF-UHFFFAOYSA-N 1 1 293.455 3.089 20 30 CGEDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)C1(C)C ZINC000353936142 380244129 /nfs/dbraw/zinc/24/41/29/380244129.db2.gz YKBOPZSDWBOOHA-WBVHZDCISA-N 1 1 272.392 3.194 20 30 CGEDMO CC(C)C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000354683469 380525902 /nfs/dbraw/zinc/52/59/02/380525902.db2.gz MNKKSCBYYSXAQJ-QGZVFWFLSA-N 1 1 299.418 3.397 20 30 CGEDMO Cc1cc(C[N@@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)ccc1C#N ZINC000354707262 380532310 /nfs/dbraw/zinc/53/23/10/380532310.db2.gz NMROAAWOSQMJDY-MSOLQXFVSA-N 1 1 282.387 3.010 20 30 CGEDMO Cc1cc(C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)ccc1C#N ZINC000354707262 380532318 /nfs/dbraw/zinc/53/23/18/380532318.db2.gz NMROAAWOSQMJDY-MSOLQXFVSA-N 1 1 282.387 3.010 20 30 CGEDMO C=CCOCC[N@@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000645094431 380577247 /nfs/dbraw/zinc/57/72/47/380577247.db2.gz KKGRAHHHWRUSOS-UHFFFAOYSA-N 1 1 270.376 3.037 20 30 CGEDMO C=CCOCC[N@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000645094431 380577255 /nfs/dbraw/zinc/57/72/55/380577255.db2.gz KKGRAHHHWRUSOS-UHFFFAOYSA-N 1 1 270.376 3.037 20 30 CGEDMO C=CCOCCC[N@@H+]1CCC[C@@H](C(=O)OC(C)(C)C)[C@H]1C ZINC000420926463 380863202 /nfs/dbraw/zinc/86/32/02/380863202.db2.gz NGWRNVHMZPHGJV-HUUCEWRRSA-N 1 1 297.439 3.021 20 30 CGEDMO CN(Cc1ccccc1C(C)(C)C#N)C[C@@H]1CCC[N@H+]1C ZINC000420996187 380868301 /nfs/dbraw/zinc/86/83/01/380868301.db2.gz FKCRPBVRZVMGSY-INIZCTEOSA-N 1 1 285.435 3.014 20 30 CGEDMO CN1CCC[C@H]1C[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000420996187 380868312 /nfs/dbraw/zinc/86/83/12/380868312.db2.gz FKCRPBVRZVMGSY-INIZCTEOSA-N 1 1 285.435 3.014 20 30 CGEDMO CN1CCC[C@H]1C[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000420996187 380868320 /nfs/dbraw/zinc/86/83/20/380868320.db2.gz FKCRPBVRZVMGSY-INIZCTEOSA-N 1 1 285.435 3.014 20 30 CGEDMO Cc1ncccc1OC[C@@H]1CCC[N@H+]1CCC(C)(C)C#N ZINC000419394169 380828043 /nfs/dbraw/zinc/82/80/43/380828043.db2.gz RRLJIJJABYVXBB-HNNXBMFYSA-N 1 1 287.407 3.173 20 30 CGEDMO CN(C)CC[N@@H+](Cc1ccc(C#N)c(F)c1)C1CCCC1 ZINC000421346431 380887849 /nfs/dbraw/zinc/88/78/49/380887849.db2.gz STKLRRFGDRMHON-UHFFFAOYSA-N 1 1 289.398 3.004 20 30 CGEDMO C[NH+](C)CCN(Cc1ccc(C#N)c(F)c1)C1CCCC1 ZINC000421346431 380887852 /nfs/dbraw/zinc/88/78/52/380887852.db2.gz STKLRRFGDRMHON-UHFFFAOYSA-N 1 1 289.398 3.004 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421404904 380954008 /nfs/dbraw/zinc/95/40/08/380954008.db2.gz ZMOGZZDVKMZPGJ-INIZCTEOSA-N 1 1 289.419 3.236 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H](CCO)CC2)cc1 ZINC000421395658 380945810 /nfs/dbraw/zinc/94/58/10/380945810.db2.gz ITDLZHNZRNQFPA-INIZCTEOSA-N 1 1 289.419 3.236 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1nc2cc(Cl)ccc2n1C ZINC000279341553 194392464 /nfs/dbraw/zinc/39/24/64/194392464.db2.gz USYRHOROKKRIGV-UHFFFAOYSA-N 1 1 275.783 3.070 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1nc2cc(Cl)ccc2n1C ZINC000279341553 194392465 /nfs/dbraw/zinc/39/24/65/194392465.db2.gz USYRHOROKKRIGV-UHFFFAOYSA-N 1 1 275.783 3.070 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1cc(C)c2ncccc2c1 ZINC000358281705 381300239 /nfs/dbraw/zinc/30/02/39/381300239.db2.gz SBUMIYJIXRRWST-HNNXBMFYSA-N 1 1 253.349 3.325 20 30 CGEDMO C[C@@H]1CCC[C@H](C)C[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000357739560 381271367 /nfs/dbraw/zinc/27/13/67/381271367.db2.gz HVMSYFSYTNHUKF-UONOGXRCSA-N 1 1 285.391 3.007 20 30 CGEDMO C=C(CC)C[N@H+](C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000358493509 381311095 /nfs/dbraw/zinc/31/10/95/381311095.db2.gz DEKLOPGILOVZMM-CYBMUJFWSA-N 1 1 281.421 3.049 20 30 CGEDMO C=C(CC)C[N@@H+](C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000358493509 381311105 /nfs/dbraw/zinc/31/11/05/381311105.db2.gz DEKLOPGILOVZMM-CYBMUJFWSA-N 1 1 281.421 3.049 20 30 CGEDMO N#Cc1csc(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)c1 ZINC000334839131 207165742 /nfs/dbraw/zinc/16/57/42/207165742.db2.gz NYSOJSDRWVOWME-AWEZNQCLSA-N 1 1 258.390 3.384 20 30 CGEDMO N#CCC[C@H](C#N)C[NH+]1CCC(COc2ccccc2)CC1 ZINC000361461415 381753707 /nfs/dbraw/zinc/75/37/07/381753707.db2.gz FHFIDCIRMIRXOU-QGZVFWFLSA-N 1 1 297.402 3.221 20 30 CGEDMO CC[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@H]1CCOC1 ZINC000361595751 381827308 /nfs/dbraw/zinc/82/73/08/381827308.db2.gz OXALKZXIEITWHJ-HNNXBMFYSA-N 1 1 272.392 3.099 20 30 CGEDMO CC[C@]1(C)CCC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000362391591 381973056 /nfs/dbraw/zinc/97/30/56/381973056.db2.gz QZOYDSMKMXLSSO-RDTXWAMCSA-N 1 1 299.418 3.397 20 30 CGEDMO C[N@@H+](CCCOCc1ccccc1)Cc1ccc(C#N)o1 ZINC000281192491 195142495 /nfs/dbraw/zinc/14/24/95/195142495.db2.gz IOSIHFDCTYJWJF-UHFFFAOYSA-N 1 1 284.359 3.190 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC(=O)N1c2ccccc2CC[C@H]1C ZINC000302919715 542415775 /nfs/dbraw/zinc/41/57/75/542415775.db2.gz YXGBEKGDVZGNMN-OAHLLOKOSA-N 1 1 286.419 3.252 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)N1c2ccccc2CC[C@H]1C ZINC000302919715 542415779 /nfs/dbraw/zinc/41/57/79/542415779.db2.gz YXGBEKGDVZGNMN-OAHLLOKOSA-N 1 1 286.419 3.252 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000741786991 572529282 /nfs/dbraw/zinc/52/92/82/572529282.db2.gz DIHROZZENCRUOU-INIZCTEOSA-N 1 1 280.456 3.291 20 30 CGEDMO Cc1ccc(NC(=O)C[NH+]2CCC(CCC#N)CC2)c(C)c1 ZINC000574874765 335054204 /nfs/dbraw/zinc/05/42/04/335054204.db2.gz QJJREXROYKSOPX-UHFFFAOYSA-N 1 1 299.418 3.258 20 30 CGEDMO N#Cc1ccnc(S[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000283113775 195795264 /nfs/dbraw/zinc/79/52/64/195795264.db2.gz SCCAJYRCRNNDOK-MRXNPFEDSA-N 1 1 295.411 3.320 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccccc1C#N)c1cccc([N+](=O)[O-])c1 ZINC000160325005 533460201 /nfs/dbraw/zinc/46/02/01/533460201.db2.gz WXGVEYOGEJVLGG-GFCCVEGCSA-N 1 1 281.315 3.317 20 30 CGEDMO C[C@H](c1ccncc1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000067716484 392160258 /nfs/dbraw/zinc/16/02/58/392160258.db2.gz RFKSALRDEUKSEK-CYBMUJFWSA-N 1 1 251.333 3.146 20 30 CGEDMO C[N@@H+](Cc1ccc([S@](C)=O)cc1)CC(C)(C)CCC#N ZINC000093713368 392239236 /nfs/dbraw/zinc/23/92/36/392239236.db2.gz ZDZZQMYLCBYASJ-HXUWFJFHSA-N 1 1 292.448 3.186 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1F)C[C@@H]1CCCCO1 ZINC000106867297 392310411 /nfs/dbraw/zinc/31/04/11/392310411.db2.gz RCFVYJRJPMCKMZ-INIZCTEOSA-N 1 1 290.382 3.478 20 30 CGEDMO N#Cc1cccc(OCC[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000107802365 392329721 /nfs/dbraw/zinc/32/97/21/392329721.db2.gz OUDNJOGUPCTDCP-CYBMUJFWSA-N 1 1 298.308 3.211 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H](CCO)c1ccccc1 ZINC000361834505 392336885 /nfs/dbraw/zinc/33/68/85/392336885.db2.gz UIDGVMJTAPOSMB-GOSISDBHSA-N 1 1 298.361 3.253 20 30 CGEDMO C=CCN1CCC([NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000237359859 131025779 /nfs/dbraw/zinc/02/57/79/131025779.db2.gz PLEGYQBQXGCIIB-CJNGLKHVSA-N 1 1 274.408 3.143 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 ZINC000289465893 392422274 /nfs/dbraw/zinc/42/22/74/392422274.db2.gz YQMIALFSMGTGHF-RHSMWYFYSA-N 1 1 299.418 3.335 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000289465893 392422277 /nfs/dbraw/zinc/42/22/77/392422277.db2.gz YQMIALFSMGTGHF-RHSMWYFYSA-N 1 1 299.418 3.335 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000289465893 392422283 /nfs/dbraw/zinc/42/22/83/392422283.db2.gz YQMIALFSMGTGHF-RHSMWYFYSA-N 1 1 299.418 3.335 20 30 CGEDMO Cc1cnn([C@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)c1 ZINC000289924844 392436755 /nfs/dbraw/zinc/43/67/55/392436755.db2.gz OTMXAEXJNUBDFY-KRWDZBQOSA-N 1 1 299.805 3.143 20 30 CGEDMO CC#CCC[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000156072090 392544771 /nfs/dbraw/zinc/54/47/71/392544771.db2.gz VZLYGTZWJZUMRG-HOTGVXAUSA-N 1 1 275.392 3.361 20 30 CGEDMO N#CC1(NC(=O)C[N@H+]2CCC[C@H]2C2CCCCC2)CCC1 ZINC000329516164 392685660 /nfs/dbraw/zinc/68/56/60/392685660.db2.gz YTHUMGDHIJWERH-HNNXBMFYSA-N 1 1 289.423 3.434 20 30 CGEDMO CCCCCCC[N@H+]1CCOC[C@H]1[C@H]1CCCC1=O ZINC000372610091 392623021 /nfs/dbraw/zinc/62/30/21/392623021.db2.gz BEOYGOMWNBSQNM-CABCVRRESA-N 1 1 267.413 3.027 20 30 CGEDMO Cc1ccnc(-c2cccc(NC(=O)[C@H]3CCC[N@@H+]3C)c2)n1 ZINC000329636117 392689926 /nfs/dbraw/zinc/68/99/26/392689926.db2.gz YBWCWEWYESTYKC-OAHLLOKOSA-N 1 1 296.374 3.134 20 30 CGEDMO Cn1cccc1[C@@H]1CCC[N@H+]1CCCC(C)(C)C#N ZINC000174810787 392646074 /nfs/dbraw/zinc/64/60/74/392646074.db2.gz CZEGHGZKLFUFSW-HNNXBMFYSA-N 1 1 259.397 3.492 20 30 CGEDMO Cc1sc(NC(=O)C[N@H+](C)CCC(C)C)c(C#N)c1C ZINC000177037026 392659145 /nfs/dbraw/zinc/65/91/45/392659145.db2.gz XPBLZFLPUWKTTJ-UHFFFAOYSA-N 1 1 293.436 3.153 20 30 CGEDMO C[C@H]([N@@H+](C)CCC(=O)Nc1sccc1C#N)C1(C)CC1 ZINC000177219211 392661156 /nfs/dbraw/zinc/66/11/56/392661156.db2.gz GRDNMGOXVZYGDH-NSHDSACASA-N 1 1 291.420 3.069 20 30 CGEDMO N#CCC[N@H+](Cc1cccc2cnccc21)CC1CC1 ZINC000183261677 392753685 /nfs/dbraw/zinc/75/36/85/392753685.db2.gz NKMNVZQMUHBYHG-UHFFFAOYSA-N 1 1 265.360 3.360 20 30 CGEDMO C[N@@H+](Cc1cccc2[nH]ccc21)[C@@H]1CC[C@H](C#N)C1 ZINC000334320468 392718677 /nfs/dbraw/zinc/71/86/77/392718677.db2.gz VTQLGFOWTISLOZ-GXTWGEPZSA-N 1 1 253.349 3.292 20 30 CGEDMO Cc1cnc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)s1 ZINC000334355362 392722308 /nfs/dbraw/zinc/72/23/08/392722308.db2.gz KTIFHMGOJLBQBS-HNNXBMFYSA-N 1 1 283.400 3.490 20 30 CGEDMO Cc1cnc(C(C)(C)[NH2+]CC#Cc2ccccc2)s1 ZINC000192181392 392840898 /nfs/dbraw/zinc/84/08/98/392840898.db2.gz WUNMUOJZVYKMII-UHFFFAOYSA-N 1 1 270.401 3.328 20 30 CGEDMO C[C@H]1[C@H](Nc2cc(C#N)ccc2C(F)(F)F)CCC[N@H+]1C ZINC000513023624 392851407 /nfs/dbraw/zinc/85/14/07/392851407.db2.gz KIXOFCQECGCKQQ-GXFFZTMASA-N 1 1 297.324 3.472 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000336495263 392859625 /nfs/dbraw/zinc/85/96/25/392859625.db2.gz WCNVXYPLTOHLDH-BXUZGUMPSA-N 1 1 298.308 3.008 20 30 CGEDMO CC[N@@H+](CCOCCC#N)[C@@H](C)c1ccc(F)cc1 ZINC000338924321 392936113 /nfs/dbraw/zinc/93/61/13/392936113.db2.gz HGKHNJPVGQPJJF-ZDUSSCGKSA-N 1 1 264.344 3.139 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(CC)cn1 ZINC000339078823 392945144 /nfs/dbraw/zinc/94/51/44/392945144.db2.gz JHKQIFCVIPXJAQ-UHFFFAOYSA-N 1 1 270.376 3.468 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](Oc3ccccc3)C2)C1 ZINC000338997595 392939166 /nfs/dbraw/zinc/93/91/66/392939166.db2.gz PJQXOBFQGCZPJT-HLLBOEOZSA-N 1 1 270.376 3.222 20 30 CGEDMO CC#CCN(CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000525633952 392941021 /nfs/dbraw/zinc/94/10/21/392941021.db2.gz NJDRGSVAWWKJEF-WMZOPIPTSA-N 1 1 270.420 3.167 20 30 CGEDMO CC(C)C[C@H]1CCC[N@H+]1CCOc1ccccc1C#N ZINC000396876125 392943440 /nfs/dbraw/zinc/94/34/40/392943440.db2.gz QIJZIPWFZFJJOT-MRXNPFEDSA-N 1 1 272.392 3.448 20 30 CGEDMO C=CCOCC[N@@H+]1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 ZINC000339084896 392947447 /nfs/dbraw/zinc/94/74/47/392947447.db2.gz RQKRGPRCGGJMHW-WMLDXEAASA-N 1 1 275.392 3.281 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+]1CCC(F)(F)C[C@@H]1C ZINC000528766132 392971263 /nfs/dbraw/zinc/97/12/63/392971263.db2.gz CVWPXUWBUJIGNH-NSHDSACASA-N 1 1 280.318 3.186 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC(F)(F)C[C@@H]1C ZINC000528766132 392971267 /nfs/dbraw/zinc/97/12/67/392971267.db2.gz CVWPXUWBUJIGNH-NSHDSACASA-N 1 1 280.318 3.186 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(-c2ncco2)cc1F ZINC000411626884 392981561 /nfs/dbraw/zinc/98/15/61/392981561.db2.gz XHWWRYBQPGIOJQ-UHFFFAOYSA-N 1 1 260.312 3.489 20 30 CGEDMO C[NH+](C)[C@H]1CCCN(CCC2(C#N)CCCCC2)CC1 ZINC000411633806 392984014 /nfs/dbraw/zinc/98/40/14/392984014.db2.gz KDTRKHQVJFSGGD-INIZCTEOSA-N 1 1 277.456 3.267 20 30 CGEDMO CO[C@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C[C@@H]1C ZINC000411786103 392988279 /nfs/dbraw/zinc/98/82/79/392988279.db2.gz CWYMXZNBZGEEQT-GJZGRUSLSA-N 1 1 264.413 3.207 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](CC)Cc1occc1C ZINC000412049365 392994661 /nfs/dbraw/zinc/99/46/61/392994661.db2.gz YENKLMUVNBBOKR-HNNXBMFYSA-N 1 1 292.423 3.223 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](CC)Cc1occc1C ZINC000412049365 392994669 /nfs/dbraw/zinc/99/46/69/392994669.db2.gz YENKLMUVNBBOKR-HNNXBMFYSA-N 1 1 292.423 3.223 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC[C@@H]1CCCO1 ZINC000346282666 393081980 /nfs/dbraw/zinc/08/19/80/393081980.db2.gz RFRXBHCSSKJTIO-RCCFBDPRSA-N 1 1 284.403 3.327 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc(Br)s2)CCC1 ZINC000258905580 393137791 /nfs/dbraw/zinc/13/77/91/393137791.db2.gz LOOLWPLSNWOSJE-UHFFFAOYSA-N 1 1 285.210 3.294 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](C[C@@H]1CCCO1)C1CCC(C)CC1 ZINC000351329126 393182720 /nfs/dbraw/zinc/18/27/20/393182720.db2.gz OJVPXEJLENDMBS-HIEASXQVSA-N 1 1 295.467 3.373 20 30 CGEDMO C[C@H]1C[N@H+](CC#Cc2ccccc2)CC2(CCCC2)O1 ZINC000646135523 393224905 /nfs/dbraw/zinc/22/49/05/393224905.db2.gz QHTKFIFVAINUEJ-INIZCTEOSA-N 1 1 269.388 3.072 20 30 CGEDMO C[C@H]1C[N@@H+](CC#Cc2ccccc2)CC2(CCCC2)O1 ZINC000646135523 393224912 /nfs/dbraw/zinc/22/49/12/393224912.db2.gz QHTKFIFVAINUEJ-INIZCTEOSA-N 1 1 269.388 3.072 20 30 CGEDMO CC[C@@H](C)[C@@H](C)[N@@H+](Cc1nc(C#N)cs1)C1CC1 ZINC000356219707 393386765 /nfs/dbraw/zinc/38/67/65/393386765.db2.gz ODVGLDDTPDQATO-GHMZBOCLSA-N 1 1 263.410 3.414 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@H]2Cc2ccccc2)n1 ZINC000356088488 393356631 /nfs/dbraw/zinc/35/66/31/393356631.db2.gz OYDBTIOFGDNKMP-HNNXBMFYSA-N 1 1 283.400 3.222 20 30 CGEDMO CCC[C@H]1[C@H](C)CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000356123739 393358956 /nfs/dbraw/zinc/35/89/56/393358956.db2.gz ODICXXOULPGKAK-YPMHNXCESA-N 1 1 263.410 3.415 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000649407716 393414311 /nfs/dbraw/zinc/41/43/11/393414311.db2.gz JIMNHSSWUNOMAH-HZPDHXFCSA-N 1 1 251.414 3.481 20 30 CGEDMO Cc1cc(C[N@@H+]2CCS[C@@H](C)[C@H]2C)ccc1C#N ZINC000488413375 393503382 /nfs/dbraw/zinc/50/33/82/393503382.db2.gz ZIYWSIODTQKDRO-OLZOCXBDSA-N 1 1 260.406 3.193 20 30 CGEDMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000488438452 393513051 /nfs/dbraw/zinc/51/30/51/393513051.db2.gz GHNIOYIJIDJOMD-KRWDZBQOSA-N 1 1 285.435 3.030 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@@]3(CCCOC3)C2)ccc1C#N ZINC000488438250 393513394 /nfs/dbraw/zinc/51/33/94/393513394.db2.gz XIOQWSNUCYBVHN-GOSISDBHSA-N 1 1 284.403 3.259 20 30 CGEDMO CC#CC[N@@H+](C)Cc1cccc(OCc2ccccn2)c1 ZINC000649619095 393515696 /nfs/dbraw/zinc/51/56/96/393515696.db2.gz XFSUMWZJLPCZPX-UHFFFAOYSA-N 1 1 280.371 3.116 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCO[C@H](C)C1 ZINC000420899184 393538240 /nfs/dbraw/zinc/53/82/40/393538240.db2.gz FFCWGRQVRXSFKW-RHSMWYFYSA-N 1 1 270.376 3.114 20 30 CGEDMO C[C@H]1COc2ccccc2C[N@@H+]1Cc1cccc(C#N)c1 ZINC000359848423 393555510 /nfs/dbraw/zinc/55/55/10/393555510.db2.gz PQHPMBQIMWHEOK-AWEZNQCLSA-N 1 1 278.355 3.341 20 30 CGEDMO C[C@H]1COc2ccccc2C[N@H+]1Cc1cccc(C#N)c1 ZINC000359848423 393555515 /nfs/dbraw/zinc/55/55/15/393555515.db2.gz PQHPMBQIMWHEOK-AWEZNQCLSA-N 1 1 278.355 3.341 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1F)C1CC(OC(C)(C)C)C1 ZINC000421011519 393573447 /nfs/dbraw/zinc/57/34/47/393573447.db2.gz PJCRMKXDYDBBIZ-UHFFFAOYSA-N 1 1 290.382 3.475 20 30 CGEDMO C[N@@H+](CCCOc1cccc(C#N)c1)[C@@H]1CC1(C)C ZINC000489394612 393593930 /nfs/dbraw/zinc/59/39/30/393593930.db2.gz BXDLZXAJZCCIRJ-OAHLLOKOSA-N 1 1 258.365 3.057 20 30 CGEDMO N#Cc1cccc(C[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)c1 ZINC000361022701 393647580 /nfs/dbraw/zinc/64/75/80/393647580.db2.gz PFPRRNIUWYTFRL-UHFFFAOYSA-N 1 1 290.366 3.311 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)c1 ZINC000361022701 393647583 /nfs/dbraw/zinc/64/75/83/393647583.db2.gz PFPRRNIUWYTFRL-UHFFFAOYSA-N 1 1 290.366 3.311 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)CC1(C)CCC1 ZINC000432923566 393661791 /nfs/dbraw/zinc/66/17/91/393661791.db2.gz GTDUMCGIAABYPI-UHFFFAOYSA-N 1 1 272.392 3.197 20 30 CGEDMO C#CC[N@H+](Cc1cccc(SC(=O)N(C)C)c1)C1CC1 ZINC000491620294 393696833 /nfs/dbraw/zinc/69/68/33/393696833.db2.gz DPIZARXYOWRMRP-UHFFFAOYSA-N 1 1 288.416 3.058 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@@](C)(c2ccc(C)cc2)C1 ZINC000434756243 393713558 /nfs/dbraw/zinc/71/35/58/393713558.db2.gz YRVZQDMIYFCEMA-ZWKOTPCHSA-N 1 1 273.420 3.286 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccncc1 ZINC000445575729 393808847 /nfs/dbraw/zinc/80/88/47/393808847.db2.gz GMXCCAHTCBFQIG-CYBMUJFWSA-N 1 1 251.333 3.146 20 30 CGEDMO CO[C@H]1CC[N@@H+](CCCCC(C)(C)C#N)C[C@@H]1C ZINC000451571260 394046434 /nfs/dbraw/zinc/04/64/34/394046434.db2.gz PYGWJNUYCKAHKE-KBPBESRZSA-N 1 1 252.402 3.063 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000668078585 542966468 /nfs/dbraw/zinc/96/64/68/542966468.db2.gz PIWKGTNGZMNPDY-FUHWJXTLSA-N 1 1 287.403 3.395 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccnc2)C1 ZINC000668493778 543020111 /nfs/dbraw/zinc/02/01/11/543020111.db2.gz RIYGIKRJAVLJTM-CQSZACIVSA-N 1 1 282.391 3.260 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cnc(CC)s2)C1 ZINC000668494113 543020445 /nfs/dbraw/zinc/02/04/45/543020445.db2.gz WDKGJSNIRNKTBE-GFCCVEGCSA-N 1 1 250.411 3.494 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2[nH]nc3ccccc32)C1 ZINC000668492461 543020586 /nfs/dbraw/zinc/02/05/86/543020586.db2.gz BLYCJAYGXAFSDQ-CYBMUJFWSA-N 1 1 255.365 3.351 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2n[nH]c3ccccc32)C1 ZINC000668492461 543020590 /nfs/dbraw/zinc/02/05/90/543020590.db2.gz BLYCJAYGXAFSDQ-CYBMUJFWSA-N 1 1 255.365 3.351 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2n[nH]c3ccccc32)C1 ZINC000668492461 543020592 /nfs/dbraw/zinc/02/05/92/543020592.db2.gz BLYCJAYGXAFSDQ-CYBMUJFWSA-N 1 1 255.365 3.351 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2ccnn2-c2ccncc2)C1 ZINC000668493537 543020796 /nfs/dbraw/zinc/02/07/96/543020796.db2.gz OTRZPIVODLXCRC-HNNXBMFYSA-N 1 1 282.391 3.055 20 30 CGEDMO C=CCC[N@@H+]1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000673757563 543254449 /nfs/dbraw/zinc/25/44/49/543254449.db2.gz SPAWFTIRNPFXPS-INIZCTEOSA-N 1 1 258.409 3.159 20 30 CGEDMO CC[N@@H+](Cc1cc(Cl)ccc1OCC#N)C1CC1 ZINC000735308551 572714646 /nfs/dbraw/zinc/71/46/46/572714646.db2.gz IWWBHFFUFLMIQJ-UHFFFAOYSA-N 1 1 264.756 3.227 20 30 CGEDMO Clc1ccc(C#CC[N@H+]2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000674249600 543276758 /nfs/dbraw/zinc/27/67/58/543276758.db2.gz BNPGSIOAAUXAJC-QGZVFWFLSA-N 1 1 299.805 3.225 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1Cc2ccccc2N(C)C[C@H]1CC ZINC000675502503 543344744 /nfs/dbraw/zinc/34/47/44/543344744.db2.gz RUJYYXOKESDKAG-SJORKVTESA-N 1 1 288.435 3.044 20 30 CGEDMO C=C(C)C[N@@H+](CCC)C[C@@H]1COc2ccccc2O1 ZINC000675592724 543348313 /nfs/dbraw/zinc/34/83/13/543348313.db2.gz PDGKNMOIWYMTMP-CQSZACIVSA-N 1 1 261.365 3.115 20 30 CGEDMO Clc1cccc(C#CC[N@H+]2CCC[C@@H](n3ccnc3)C2)c1 ZINC000676558733 543405104 /nfs/dbraw/zinc/40/51/04/543405104.db2.gz QIBFCPBYICHBTM-QGZVFWFLSA-N 1 1 299.805 3.225 20 30 CGEDMO COCC#CC[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000677475608 543450772 /nfs/dbraw/zinc/45/07/72/543450772.db2.gz DNEWRBLKFWNMPM-UHFFFAOYSA-N 1 1 297.320 3.320 20 30 CGEDMO COCC#CC[N@@H+](C)C1c2ccccc2-c2ccccc21 ZINC000677480264 543451312 /nfs/dbraw/zinc/45/13/12/543451312.db2.gz UYKDTTXFHDNUHB-UHFFFAOYSA-N 1 1 277.367 3.338 20 30 CGEDMO CCCC[N@H+](CC#CCOC)Cc1ccccc1F ZINC000677818828 543467809 /nfs/dbraw/zinc/46/78/09/543467809.db2.gz WSKAYESEICJKPE-UHFFFAOYSA-N 1 1 263.356 3.078 20 30 CGEDMO CCCC[N@@H+](CC#CCOC)Cc1ccccc1F ZINC000677818828 543467811 /nfs/dbraw/zinc/46/78/11/543467811.db2.gz WSKAYESEICJKPE-UHFFFAOYSA-N 1 1 263.356 3.078 20 30 CGEDMO COCC#CC[N@@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000677818781 543468043 /nfs/dbraw/zinc/46/80/43/543468043.db2.gz VWDDMSOFMUOYMU-UHFFFAOYSA-N 1 1 299.414 3.016 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+](CC)Cc1cccc(Br)c1 ZINC000678050389 543479197 /nfs/dbraw/zinc/47/91/97/543479197.db2.gz ZPFTVUBJWNNWLY-AWEZNQCLSA-N 1 1 298.224 3.208 20 30 CGEDMO COCC#CC[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000678754805 543553436 /nfs/dbraw/zinc/55/34/36/543553436.db2.gz GFRHZTORPCHMDC-ZDUSSCGKSA-N 1 1 289.272 3.059 20 30 CGEDMO COCC#CC[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000678729059 543550910 /nfs/dbraw/zinc/55/09/10/543550910.db2.gz VCKNNZWBXPRSTM-VIFPVBQESA-N 1 1 290.165 3.433 20 30 CGEDMO C[C@@H]([NH2+][C@H](CN)C1CCCCC1)c1ccc(C#N)cc1 ZINC000423260948 287064411 /nfs/dbraw/zinc/06/44/11/287064411.db2.gz IWIWQDNDOJQSFU-CXAGYDPISA-N 1 1 271.408 3.116 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@H](C)C(C)(C)C)cc1C#N ZINC000087833322 287085717 /nfs/dbraw/zinc/08/57/17/287085717.db2.gz OMMYHQBUWOGMNA-GFCCVEGCSA-N 1 1 260.381 3.433 20 30 CGEDMO C[C@@H](c1ccco1)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000069070055 165050770 /nfs/dbraw/zinc/05/07/70/165050770.db2.gz PMSGGDWILZZICK-ZDUSSCGKSA-N 1 1 270.332 3.223 20 30 CGEDMO CC[C@H](CSC)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000091097572 165258442 /nfs/dbraw/zinc/25/84/42/165258442.db2.gz FVCHMXFFXQDFLB-CQSZACIVSA-N 1 1 266.385 3.271 20 30 CGEDMO C[C@@H](c1cccnc1)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000093228144 165323458 /nfs/dbraw/zinc/32/34/58/165323458.db2.gz LBZGBYCQOCZZTR-LBPRGKRZSA-N 1 1 269.323 3.285 20 30 CGEDMO N#Cc1ccc(C[NH+]2CC3(C2)CCCCC3)c(F)c1 ZINC000093965851 165343680 /nfs/dbraw/zinc/34/36/80/165343680.db2.gz SWNAIBHGVHLTII-UHFFFAOYSA-N 1 1 258.340 3.463 20 30 CGEDMO CCC1(CC)CC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000094802941 165392022 /nfs/dbraw/zinc/39/20/22/165392022.db2.gz BIRPNCJEBDJXSZ-UHFFFAOYSA-N 1 1 285.391 3.009 20 30 CGEDMO C[C@H](C(=O)Nc1ccccc1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026324596 171479859 /nfs/dbraw/zinc/47/98/59/171479859.db2.gz HZHMIOUUBXMPFC-CQSZACIVSA-N 1 1 293.370 3.017 20 30 CGEDMO C[C@H](C(=O)Nc1ccccc1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026324596 171479861 /nfs/dbraw/zinc/47/98/61/171479861.db2.gz HZHMIOUUBXMPFC-CQSZACIVSA-N 1 1 293.370 3.017 20 30 CGEDMO N#Cc1ccc(OCC[N@H+]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC000035163413 172025049 /nfs/dbraw/zinc/02/50/49/172025049.db2.gz QWVSPHTWOMJXFL-IAGOWNOFSA-N 1 1 284.403 3.449 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](C)CCOc1ccccc1 ZINC000127584820 287291133 /nfs/dbraw/zinc/29/11/33/287291133.db2.gz IIUPYNGUVLTYHN-UHFFFAOYSA-N 1 1 296.370 3.078 20 30 CGEDMO N#CCc1ccc(C[N@@H+]2CCc3cccc(F)c3C2)cc1 ZINC000343752289 224842987 /nfs/dbraw/zinc/84/29/87/224842987.db2.gz QWGJDYKVIXNOFC-UHFFFAOYSA-N 1 1 280.346 3.450 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCc3cccc(F)c3C2)cc1 ZINC000343752289 224842989 /nfs/dbraw/zinc/84/29/89/224842989.db2.gz QWGJDYKVIXNOFC-UHFFFAOYSA-N 1 1 280.346 3.450 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000679871871 543666511 /nfs/dbraw/zinc/66/65/11/543666511.db2.gz BCPKPLRPXYNIDX-STQMWFEESA-N 1 1 299.340 3.341 20 30 CGEDMO C=CCCO[C@H](C)c1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1 ZINC000680778612 543734669 /nfs/dbraw/zinc/73/46/69/543734669.db2.gz OZYPDWNPGPVGOE-RLAWYHOSSA-N 1 1 291.395 3.064 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cs1)Cc1ccc(C#N)cc1 ZINC000131201192 287373355 /nfs/dbraw/zinc/37/33/55/287373355.db2.gz RFKBKIDQYNOWKS-UHFFFAOYSA-N 1 1 267.357 3.123 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1ccc(C#N)cc1 ZINC000131201192 287373357 /nfs/dbraw/zinc/37/33/57/287373357.db2.gz RFKBKIDQYNOWKS-UHFFFAOYSA-N 1 1 267.357 3.123 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cc(Br)cnc1OC ZINC000659942996 419039285 /nfs/dbraw/zinc/03/92/85/419039285.db2.gz ZOIYTVKAIQFEFS-UHFFFAOYSA-N 1 1 299.212 3.251 20 30 CGEDMO C=CCCn1cc(C[N@H+]2[C@H](C)C[C@H]3CCCC[C@@H]32)nn1 ZINC000653559670 419047614 /nfs/dbraw/zinc/04/76/14/419047614.db2.gz NQJXSTDIYDBBAE-FMKPAKJESA-N 1 1 274.412 3.007 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CCC[C@H](C(C)C)CC2)nn1 ZINC000653556977 419048405 /nfs/dbraw/zinc/04/84/05/419048405.db2.gz UUWOXMSWNLKLBI-HNNXBMFYSA-N 1 1 276.428 3.112 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)N2c1cc[nH+]c(N2CCCCC2)n1 ZINC000664570895 418980378 /nfs/dbraw/zinc/98/03/78/418980378.db2.gz AGBMEDAPNQTURB-GASCZTMLSA-N 1 1 284.407 3.154 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@H](CC2CC2)c2ccccc2)nn1 ZINC000653605289 419058577 /nfs/dbraw/zinc/05/85/77/419058577.db2.gz QKFRBVYISRKHKN-GOSISDBHSA-N 1 1 296.418 3.485 20 30 CGEDMO CC[N@H+]1CCCN(CC#Cc2ccc(Cl)cc2)[C@H](C)C1 ZINC000660792410 419197008 /nfs/dbraw/zinc/19/70/08/419197008.db2.gz YIOFACRTCAVRHS-OAHLLOKOSA-N 1 1 290.838 3.108 20 30 CGEDMO C=CC[N@H+](CC/C=C/c1cncc(OC)c1)[C@@H](C)COC ZINC000661240754 419243241 /nfs/dbraw/zinc/24/32/41/419243241.db2.gz TWCABHLOYKKSHE-VFADXPBXSA-N 1 1 290.407 3.016 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccco3)o2)C1 ZINC000661377997 419255162 /nfs/dbraw/zinc/25/51/62/419255162.db2.gz YVWGBGWCVXENAD-GFCCVEGCSA-N 1 1 273.336 3.118 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cnc3c(c2)c(C)nn3C)C1 ZINC000661378329 419255536 /nfs/dbraw/zinc/25/55/36/419255536.db2.gz CVCPGUIUEZVOMS-CQSZACIVSA-N 1 1 284.407 3.065 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2nncn2-c2ccccc2)C1 ZINC000661383474 419255705 /nfs/dbraw/zinc/25/57/05/419255705.db2.gz DITJAWDXHVNIRF-HNNXBMFYSA-N 1 1 282.391 3.055 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2nnc(C3CC3)s2)C1 ZINC000661383405 419255908 /nfs/dbraw/zinc/25/59/08/419255908.db2.gz CTOGQBKVNSLUHI-NSHDSACASA-N 1 1 263.410 3.204 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2nnc(C3CC3)s2)C1 ZINC000661383405 419255911 /nfs/dbraw/zinc/25/59/11/419255911.db2.gz CTOGQBKVNSLUHI-NSHDSACASA-N 1 1 263.410 3.204 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](CCCC2CCOCC2)C1 ZINC000661384083 419256155 /nfs/dbraw/zinc/25/61/55/419256155.db2.gz GROCEUVTMHKYMB-INIZCTEOSA-N 1 1 251.414 3.481 20 30 CGEDMO C[C@H](CO)[C@H]1CCCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000661440546 419260175 /nfs/dbraw/zinc/26/01/75/419260175.db2.gz DNNPQQMHULHZAH-RHSMWYFYSA-N 1 1 291.822 3.174 20 30 CGEDMO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1noc(C(C)C)n1 ZINC000661116026 419232110 /nfs/dbraw/zinc/23/21/10/419232110.db2.gz GXNYTFUCGMPBSM-STQMWFEESA-N 1 1 263.385 3.418 20 30 CGEDMO C=CCCn1cc(C[NH2+]Cc2c(C)oc3ccccc32)nn1 ZINC000657436019 419278433 /nfs/dbraw/zinc/27/84/33/419278433.db2.gz CANGMOULFQAKAY-UHFFFAOYSA-N 1 1 296.374 3.199 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000661657617 419282960 /nfs/dbraw/zinc/28/29/60/419282960.db2.gz BZTLTDKQGKUZEE-GDBMZVCRSA-N 1 1 293.382 3.298 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1ccccc1F)C(C)(C)C ZINC000661755561 419294812 /nfs/dbraw/zinc/29/48/12/419294812.db2.gz UJRCFXPWOKRWKG-UHFFFAOYSA-N 1 1 264.344 3.051 20 30 CGEDMO C=CC[N@@H+](Cc1ccc2c(c1)OCCO2)C(C)(C)C ZINC000661760425 419296191 /nfs/dbraw/zinc/29/61/91/419296191.db2.gz SDECSNQQDSRMCF-UHFFFAOYSA-N 1 1 261.365 3.244 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)NC1CCC(C)CC1 ZINC000662081317 419333282 /nfs/dbraw/zinc/33/32/82/419333282.db2.gz VPCNLONMBVRFJB-DZLJFRASSA-N 1 1 290.451 3.253 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)c1cc(C)n(CC)c1C ZINC000662081146 419333361 /nfs/dbraw/zinc/33/33/61/419333361.db2.gz UQHVXELLUPYLMK-IYBDPMFKSA-N 1 1 286.419 3.491 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOCC(F)(F)C(F)(F)F ZINC000662090782 419334271 /nfs/dbraw/zinc/33/42/71/419334271.db2.gz RGAASXDVSILBMC-PHIMTYICSA-N 1 1 299.283 3.384 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000662084981 419334468 /nfs/dbraw/zinc/33/44/68/419334468.db2.gz BRILGLZNLAYTEN-KSZLIROESA-N 1 1 296.414 3.189 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccc2c(c1)CCO2 ZINC000662084222 419334883 /nfs/dbraw/zinc/33/48/83/419334883.db2.gz OTUUBQPQYGNUQW-CALCHBBNSA-N 1 1 269.388 3.347 20 30 CGEDMO OC[C@H]([NH2+]CC#Cc1cccc(Cl)c1)c1ccsc1 ZINC000352032076 228176571 /nfs/dbraw/zinc/17/65/71/228176571.db2.gz JEWSGQJYAGZPJO-HNNXBMFYSA-N 1 1 291.803 3.076 20 30 CGEDMO C=CCCn1cc(C[N@H+]2CCCC[C@@H]2CC2CCC2)nn1 ZINC000662157027 419345902 /nfs/dbraw/zinc/34/59/02/419345902.db2.gz NYVRMKHYIQMRLP-QGZVFWFLSA-N 1 1 288.439 3.399 20 30 CGEDMO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000657835869 419378729 /nfs/dbraw/zinc/37/87/29/419378729.db2.gz RNEYCSXAYSTWSD-INMHGKMJSA-N 1 1 262.441 3.195 20 30 CGEDMO CCOc1ccccc1OCC[N@H+](CCC#N)CC1CC1 ZINC000081514559 260334112 /nfs/dbraw/zinc/33/41/12/260334112.db2.gz PYUCXBDTZYBPJK-UHFFFAOYSA-N 1 1 288.391 3.090 20 30 CGEDMO CCOc1ccccc1OCC[N@@H+](CCC#N)CC1CC1 ZINC000081514559 260334114 /nfs/dbraw/zinc/33/41/14/260334114.db2.gz PYUCXBDTZYBPJK-UHFFFAOYSA-N 1 1 288.391 3.090 20 30 CGEDMO Cc1ccccc1-c1noc([C@H](C)O[NH+]=C(N)C(C)C)n1 ZINC000128553934 260819554 /nfs/dbraw/zinc/81/95/54/260819554.db2.gz HDCKIIDOSGHPAJ-NSHDSACASA-N 1 1 288.351 3.051 20 30 CGEDMO C[N@@H+](CCCCC(C)(C)C#N)C[C@@H]1CCCC[C@@H]1O ZINC000444674792 261061727 /nfs/dbraw/zinc/06/17/27/261061727.db2.gz LKAJLOXZLJRUON-GJZGRUSLSA-N 1 1 266.429 3.189 20 30 CGEDMO C[N@@H+](Cc1ccccc1NC(=O)CC#N)C1CCCCC1 ZINC000153533082 261080004 /nfs/dbraw/zinc/08/00/04/261080004.db2.gz PLSUAGPRPQEITE-UHFFFAOYSA-N 1 1 285.391 3.303 20 30 CGEDMO C=C[C@@H](C)[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000336678600 261365551 /nfs/dbraw/zinc/36/55/51/261365551.db2.gz AFHHOQJYFUNSKO-RNFRBKRXSA-N 1 1 250.289 3.387 20 30 CGEDMO C[C@@H]1CC(O)C[C@H](C)[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000191285328 262191078 /nfs/dbraw/zinc/19/10/78/262191078.db2.gz ZIJMGORSVMUBOZ-MZBDJJRSSA-N 1 1 286.419 3.221 20 30 CGEDMO CC[C@H](CC#N)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000184088924 262269126 /nfs/dbraw/zinc/26/91/26/262269126.db2.gz DVBORSGEXKXQMJ-ZSYWTGECSA-N 1 1 297.446 3.179 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCOCC3(CCC3)C2)cc1 ZINC000355515910 262370280 /nfs/dbraw/zinc/37/02/80/262370280.db2.gz REDOEZGHZQHTEA-UHFFFAOYSA-N 1 1 287.403 3.254 20 30 CGEDMO CO[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)CC[C@@H]1C ZINC000411613986 262700067 /nfs/dbraw/zinc/70/00/67/262700067.db2.gz QMPMEPQYXNXOCK-GJZGRUSLSA-N 1 1 264.413 3.207 20 30 CGEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CCC(C)(C)C#N ZINC000271952055 263000639 /nfs/dbraw/zinc/00/06/39/263000639.db2.gz BCJJTGPSLCQRHU-ZDUSSCGKSA-N 1 1 260.385 3.103 20 30 CGEDMO C[N@@H+](CCC(C)(C)C#N)C[C@H]1OCCc2ccccc21 ZINC000271953763 263000643 /nfs/dbraw/zinc/00/06/43/263000643.db2.gz BOCHKAOLAAZHHH-MRXNPFEDSA-N 1 1 272.392 3.172 20 30 CGEDMO C[C@H](C#N)Oc1ccccc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000272626450 263007832 /nfs/dbraw/zinc/00/78/32/263007832.db2.gz ZKYXZEFUXHPWAS-RBSFLKMASA-N 1 1 285.391 3.016 20 30 CGEDMO C[C@H]1CCCC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000274914477 263031489 /nfs/dbraw/zinc/03/14/89/263031489.db2.gz XKYMKCKOPCJBCZ-AWEZNQCLSA-N 1 1 258.365 3.211 20 30 CGEDMO C[C@@H](CCC#N)[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000276274688 263035583 /nfs/dbraw/zinc/03/55/83/263035583.db2.gz DNQICMFWMVXGRU-NSHDSACASA-N 1 1 268.307 3.412 20 30 CGEDMO N#CC1(CCC[N@H+]2CCC[C@H]2c2ccc[nH]2)CCOCC1 ZINC000282019726 263073701 /nfs/dbraw/zinc/07/37/01/263073701.db2.gz PBZLMKLSHLFZBT-INIZCTEOSA-N 1 1 287.407 3.252 20 30 CGEDMO C[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1 ZINC000282138399 263074798 /nfs/dbraw/zinc/07/47/98/263074798.db2.gz ZHBFRULVJJATIX-UHFFFAOYSA-N 1 1 272.392 3.219 20 30 CGEDMO CCCC[N@H+](Cc1ccccc1O)C[C@H](C#N)CCC#N ZINC000282361306 263076083 /nfs/dbraw/zinc/07/60/83/263076083.db2.gz DJLDLMXSZCOTBJ-HNNXBMFYSA-N 1 1 285.391 3.438 20 30 CGEDMO COc1ccccc1O[C@@H]1CCC[N@@H+](CCCCC#N)C1 ZINC000286331170 263098148 /nfs/dbraw/zinc/09/81/48/263098148.db2.gz FXZTZISQWBKWQL-OAHLLOKOSA-N 1 1 288.391 3.232 20 30 CGEDMO C=CC[N@@H+](CCC#N)CCCC(=O)Nc1c(C)cccc1C ZINC000292300452 263130847 /nfs/dbraw/zinc/13/08/47/263130847.db2.gz UTNXPTSNICAVSB-UHFFFAOYSA-N 1 1 299.418 3.424 20 30 CGEDMO C=CC[N@H+](CCC#N)CCCC(=O)Nc1c(C)cccc1C ZINC000292300452 263130848 /nfs/dbraw/zinc/13/08/48/263130848.db2.gz UTNXPTSNICAVSB-UHFFFAOYSA-N 1 1 299.418 3.424 20 30 CGEDMO C[C@@H]1SCC[N@@H+](CCOCCC#N)[C@H]1c1ccccc1 ZINC000293027245 263137184 /nfs/dbraw/zinc/13/71/84/263137184.db2.gz ITTBWIIVTJLIGV-GOEBONIOSA-N 1 1 290.432 3.095 20 30 CGEDMO C[N@@H+](CCOCCC#N)Cc1ccc2ccccc2c1 ZINC000293480508 263141406 /nfs/dbraw/zinc/14/14/06/263141406.db2.gz MJXGQVROYSZERI-UHFFFAOYSA-N 1 1 268.360 3.202 20 30 CGEDMO C[C@H]1CC[C@H](c2ccccc2)[N@@H+](CCOCCC#N)C1 ZINC000293726478 263148011 /nfs/dbraw/zinc/14/80/11/263148011.db2.gz YWWXUWRKBCBBDC-DOTOQJQBSA-N 1 1 272.392 3.390 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@@H+]2CCc3cc(Cl)ccc3C2)C1 ZINC000294387033 263160769 /nfs/dbraw/zinc/16/07/69/263160769.db2.gz BUULEKPLLDCAPB-IAQYHMDHSA-N 1 1 260.768 3.390 20 30 CGEDMO C[C@H](C#N)C[N@H+](C)C[C@@H](C)c1cc(F)cc(F)c1 ZINC000294832164 263168024 /nfs/dbraw/zinc/16/80/24/263168024.db2.gz NLBVTGCSFKFWSF-GHMZBOCLSA-N 1 1 252.308 3.160 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C)C[C@@H](C)c1cc(F)cc(F)c1 ZINC000294832164 263168025 /nfs/dbraw/zinc/16/80/25/263168025.db2.gz NLBVTGCSFKFWSF-GHMZBOCLSA-N 1 1 252.308 3.160 20 30 CGEDMO COc1ccccc1O[C@H]1CCC[N@H+]([C@H](C)CCC#N)C1 ZINC000298507041 263220757 /nfs/dbraw/zinc/22/07/57/263220757.db2.gz KLVGGJLQWDKJSG-CABCVRRESA-N 1 1 288.391 3.231 20 30 CGEDMO C[C@H](CCC#N)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000298842123 263227114 /nfs/dbraw/zinc/22/71/14/263227114.db2.gz IAEHGUYBVSWMGQ-SECBINFHSA-N 1 1 256.271 3.228 20 30 CGEDMO C[C@@H](CCC#N)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000298842124 263227211 /nfs/dbraw/zinc/22/72/11/263227211.db2.gz IAEHGUYBVSWMGQ-VIFPVBQESA-N 1 1 256.271 3.228 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000340921844 263315330 /nfs/dbraw/zinc/31/53/30/263315330.db2.gz TUUQQGMICSOKFU-UXLLHSPISA-N 1 1 290.451 3.207 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000341995219 263374113 /nfs/dbraw/zinc/37/41/13/263374113.db2.gz SYFPQVJSKZMZNR-UHFFFAOYSA-N 1 1 298.430 3.200 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC=C(c2ccccc2)C1 ZINC000341995219 263374115 /nfs/dbraw/zinc/37/41/15/263374115.db2.gz SYFPQVJSKZMZNR-UHFFFAOYSA-N 1 1 298.430 3.200 20 30 CGEDMO CCc1noc(C)c1C(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC000330761378 264031919 /nfs/dbraw/zinc/03/19/19/264031919.db2.gz NGBQOEPWDMFCOC-ZDUSSCGKSA-N 1 1 293.411 3.115 20 30 CGEDMO C=CCCC[N@H+](C)CC[C@@H](C(=O)OC)c1ccccc1 ZINC000425401621 264282377 /nfs/dbraw/zinc/28/23/77/264282377.db2.gz HEYVILKOUFEOJX-MRXNPFEDSA-N 1 1 275.392 3.231 20 30 CGEDMO C=CCC[C@H](C(=O)NCC[N@H+](C)C(C)C)c1ccccc1 ZINC000189508397 264303695 /nfs/dbraw/zinc/30/36/95/264303695.db2.gz VRUFKSGMUFTCID-KRWDZBQOSA-N 1 1 288.435 3.193 20 30 CGEDMO C=CCCC[N@@H+](C)Cc1nccn1Cc1ccccc1 ZINC000076734345 264344029 /nfs/dbraw/zinc/34/40/29/264344029.db2.gz DZICDGQLRKZWCS-UHFFFAOYSA-N 1 1 269.392 3.329 20 30 CGEDMO C=CCCC[N@H+](C)Cc1nccn1Cc1ccccc1 ZINC000076734345 264344030 /nfs/dbraw/zinc/34/40/30/264344030.db2.gz DZICDGQLRKZWCS-UHFFFAOYSA-N 1 1 269.392 3.329 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)[C@H]2CCSC2)cc1OC ZINC000130570782 264359817 /nfs/dbraw/zinc/35/98/17/264359817.db2.gz ZYCVOXMGZIZLDO-AWEZNQCLSA-N 1 1 293.432 3.197 20 30 CGEDMO C=CCCC[N@@H+](C)Cc1nc([C@H](C)SCC)no1 ZINC000132612085 264393529 /nfs/dbraw/zinc/39/35/29/264393529.db2.gz NJBYTIPVADERKH-NSHDSACASA-N 1 1 269.414 3.282 20 30 CGEDMO C=CCCC[N@H+](C)Cc1nc([C@H](C)SCC)no1 ZINC000132612085 264393531 /nfs/dbraw/zinc/39/35/31/264393531.db2.gz NJBYTIPVADERKH-NSHDSACASA-N 1 1 269.414 3.282 20 30 CGEDMO C=CCCC[N@@H+](CC1CC1)[C@](C)(CC)C(=O)OC ZINC000425518674 264429121 /nfs/dbraw/zinc/42/91/21/264429121.db2.gz ZSMYOAYRJFLAED-OAHLLOKOSA-N 1 1 253.386 3.006 20 30 CGEDMO CC[C@@H]1CCC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000036169545 270028028 /nfs/dbraw/zinc/02/80/28/270028028.db2.gz APICIJROHHFTPK-OAHLLOKOSA-N 1 1 272.392 3.449 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H](O)CC2)cc1Cl ZINC000294113298 265007221 /nfs/dbraw/zinc/00/72/21/265007221.db2.gz STCPMDFNRJELFI-AWEZNQCLSA-N 1 1 295.810 3.252 20 30 CGEDMO CCO[C@@H]1C[C@H]([N@@H+](C)CCC(C)(C)C#N)C12CCC2 ZINC000345706631 265097553 /nfs/dbraw/zinc/09/75/53/265097553.db2.gz GAODRWLQMYNEFW-UONOGXRCSA-N 1 1 264.413 3.206 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CC[C@H](C#N)C1 ZINC000297775780 266051130 /nfs/dbraw/zinc/05/11/30/266051130.db2.gz GJAIQYKYAWUTRC-DLBZAZTESA-N 1 1 267.376 3.463 20 30 CGEDMO CCC[C@]1(COC)CCC[N@H+]1Cc1ccccc1C#N ZINC000194918828 266082191 /nfs/dbraw/zinc/08/21/91/266082191.db2.gz FVSDGRPTJZWWIM-QGZVFWFLSA-N 1 1 272.392 3.339 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCCSCC2)cc1 ZINC000357211631 266266654 /nfs/dbraw/zinc/26/66/54/266266654.db2.gz GTULWVFYNMRPRD-UHFFFAOYSA-N 1 1 263.406 3.190 20 30 CGEDMO C=CC[N@H+](Cc1cc(Cl)c2c(c1)OCCO2)C1CC1 ZINC000357552980 266321704 /nfs/dbraw/zinc/32/17/04/266321704.db2.gz MIMLOGGYPPVBHT-UHFFFAOYSA-N 1 1 279.767 3.262 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000368439657 267172492 /nfs/dbraw/zinc/17/24/92/267172492.db2.gz WVNIJUJXRLFYDF-HUUCEWRRSA-N 1 1 264.413 3.065 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000369319113 267235156 /nfs/dbraw/zinc/23/51/56/267235156.db2.gz KKFRDEOAJVFLFV-HRCADAONSA-N 1 1 267.413 3.001 20 30 CGEDMO C=C[C@H](C)[NH2+][C@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000119345089 267323597 /nfs/dbraw/zinc/32/35/97/267323597.db2.gz FVMRHXDEJQOMFD-WDEREUQCSA-N 1 1 290.798 3.454 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000370683522 267338446 /nfs/dbraw/zinc/33/84/46/267338446.db2.gz JUNHXCYUJVRPGL-MRXNPFEDSA-N 1 1 251.329 3.121 20 30 CGEDMO CC(C)(C#N)CC[N@@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000120008740 267351817 /nfs/dbraw/zinc/35/18/17/267351817.db2.gz STSXDRYABXRMRZ-GOSISDBHSA-N 1 1 284.403 3.100 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000120008740 267351820 /nfs/dbraw/zinc/35/18/20/267351820.db2.gz STSXDRYABXRMRZ-GOSISDBHSA-N 1 1 284.403 3.100 20 30 CGEDMO C[C@H]1C[C@@H](NCC2(C#N)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000418140807 267362606 /nfs/dbraw/zinc/36/26/06/267362606.db2.gz KFBJPQPEAAPASU-WMZOPIPTSA-N 1 1 297.446 3.323 20 30 CGEDMO C=CCCCC(=O)N1CC[NH2+][C@@H](c2ccc(CC)cc2)C1 ZINC000374344229 267783107 /nfs/dbraw/zinc/78/31/07/267783107.db2.gz CLYDIYZILDSGGX-QGZVFWFLSA-N 1 1 286.419 3.078 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000531200692 270205374 /nfs/dbraw/zinc/20/53/74/270205374.db2.gz RGGFUVQNQXJQQA-KRWDZBQOSA-N 1 1 263.344 3.290 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@@H]2CCOc3c(Cl)cccc32)o1 ZINC000174301422 274922904 /nfs/dbraw/zinc/92/29/04/274922904.db2.gz ATUOTIYDXBOWCI-CQSZACIVSA-N 1 1 288.734 3.418 20 30 CGEDMO C=C1CC[NH+](C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000274818304 275420837 /nfs/dbraw/zinc/42/08/37/275420837.db2.gz XGGAQVPGDOCHNO-CQSZACIVSA-N 1 1 269.747 3.165 20 30 CGEDMO CCOc1ccc2c(c1)CC[N@@H+]([C@H]1CC[C@H](C#N)C1)C2 ZINC000336625671 276377235 /nfs/dbraw/zinc/37/72/35/276377235.db2.gz SCHQTFMVULIBOR-BBRMVZONSA-N 1 1 270.376 3.136 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451695326 278310172 /nfs/dbraw/zinc/31/01/72/278310172.db2.gz DOGFWGQMTRHYHO-NKGKWGDASA-N 1 1 284.403 3.102 20 30 CGEDMO N#CCCC[NH2+]Cc1c(F)ccc(Br)c1F ZINC000282124874 327617575 /nfs/dbraw/zinc/61/75/75/327617575.db2.gz UZHYQJZTDGHQAT-UHFFFAOYSA-N 1 1 289.123 3.121 20 30 CGEDMO N#CCCOCC[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000339250474 328003501 /nfs/dbraw/zinc/00/35/01/328003501.db2.gz UXVXZZQELXYYDJ-AWEZNQCLSA-N 1 1 278.783 3.060 20 30 CGEDMO C[C@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C(C)(C)C1 ZINC000266948830 328170889 /nfs/dbraw/zinc/17/08/89/328170889.db2.gz SPCJDPBGXLRHHX-OAHLLOKOSA-N 1 1 299.418 3.054 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2ccc(C)nn2)CCCC1(C)C ZINC000414444188 328171553 /nfs/dbraw/zinc/17/15/53/328171553.db2.gz KBVBRAALSIDSIK-HNNXBMFYSA-N 1 1 259.397 3.352 20 30 CGEDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1C[C@H](C#N)CCC#N ZINC000267036453 328171901 /nfs/dbraw/zinc/17/19/01/328171901.db2.gz NXLCXMCVNFCZLE-NJAFHUGGSA-N 1 1 281.403 3.383 20 30 CGEDMO N#CCCC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000268398174 328184802 /nfs/dbraw/zinc/18/48/02/328184802.db2.gz TWJJHDHTXPEWAM-CABCVRRESA-N 1 1 276.380 3.251 20 30 CGEDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2CCCC#N)c1 ZINC000173896866 329153326 /nfs/dbraw/zinc/15/33/26/329153326.db2.gz CPBMDGAMQWNGKZ-INIZCTEOSA-N 1 1 257.381 3.193 20 30 CGEDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1CCCCC(C)(C)C#N ZINC000353184439 328214675 /nfs/dbraw/zinc/21/46/75/328214675.db2.gz QZZVECZQMWRYIA-HNNXBMFYSA-N 1 1 293.455 3.087 20 30 CGEDMO C[C@H](c1ccsc1)[NH+]1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000278539779 328226822 /nfs/dbraw/zinc/22/68/22/328226822.db2.gz GEVOEUFHRLMJMY-YCPHGPKFSA-N 1 1 289.448 3.119 20 30 CGEDMO C[N@@H+](CCOc1ccc(Cl)cc1)[C@H]1CC[C@@H](C#N)C1 ZINC000278604539 328228115 /nfs/dbraw/zinc/22/81/15/328228115.db2.gz MBPIJQGBBXLKAN-OCCSQVGLSA-N 1 1 278.783 3.343 20 30 CGEDMO Cc1cnccc1C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000564879003 322047434 /nfs/dbraw/zinc/04/74/34/322047434.db2.gz MWYRJNKDIMUXFN-AWEZNQCLSA-N 1 1 265.360 3.455 20 30 CGEDMO C[N@H+]1CCN(Cc2ccc(C#N)s2)CC12CCCCC2 ZINC000565174961 322064794 /nfs/dbraw/zinc/06/47/94/322064794.db2.gz ZPINODNNVBXDII-UHFFFAOYSA-N 1 1 289.448 3.070 20 30 CGEDMO C[C@H]1C[C@H](Nc2c(Cl)cccc2C#N)C[N@H+]1C1CC1 ZINC000565984619 322099680 /nfs/dbraw/zinc/09/96/80/322099680.db2.gz XUTJWLSRXJJKOL-JQWIXIFHSA-N 1 1 275.783 3.249 20 30 CGEDMO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567986913 322186526 /nfs/dbraw/zinc/18/65/26/322186526.db2.gz IYYQYRMIWFFDLK-BXUZGUMPSA-N 1 1 273.336 3.229 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2C2CCC2)c([N+](=O)[O-])c1 ZINC000567989511 322186616 /nfs/dbraw/zinc/18/66/16/322186616.db2.gz JEFQOYXCTHHGPM-OAHLLOKOSA-N 1 1 285.347 3.231 20 30 CGEDMO Cc1csc(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)n1 ZINC000038091000 326870603 /nfs/dbraw/zinc/87/06/03/326870603.db2.gz OGDUTMQGKZOYRW-GFCCVEGCSA-N 1 1 287.388 3.205 20 30 CGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC(C)(C)C1 ZINC000072828306 327112533 /nfs/dbraw/zinc/11/25/33/327112533.db2.gz ZHDQWGBBALQCEE-OAHLLOKOSA-N 1 1 299.418 3.054 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+][C@H]1CCCc2sccc21 ZINC000558679169 327113700 /nfs/dbraw/zinc/11/37/00/327113700.db2.gz LVRUBPHLEQDYHZ-AAEUAGOBSA-N 1 1 259.378 3.159 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000181310888 327208220 /nfs/dbraw/zinc/20/82/20/327208220.db2.gz STNPJMGRRLOFND-LBPRGKRZSA-N 1 1 280.799 3.025 20 30 CGEDMO CC#CC[N@H+](C)Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000559458795 327246304 /nfs/dbraw/zinc/24/63/04/327246304.db2.gz MEOCVIFYWXCEGE-UHFFFAOYSA-N 1 1 274.751 3.450 20 30 CGEDMO CC#CC[N@@H+](C)Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000559458795 327246306 /nfs/dbraw/zinc/24/63/06/327246306.db2.gz MEOCVIFYWXCEGE-UHFFFAOYSA-N 1 1 274.751 3.450 20 30 CGEDMO CC#CC[N@@H+](C)Cc1ccc(Cl)c2cccnc12 ZINC000559467875 327247075 /nfs/dbraw/zinc/24/70/75/327247075.db2.gz LBGHPZYLZZEBRV-UHFFFAOYSA-N 1 1 258.752 3.343 20 30 CGEDMO CC(C)[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)CCCO1 ZINC000559497513 327248963 /nfs/dbraw/zinc/24/89/63/327248963.db2.gz MICAYJZORWIOFA-KRWDZBQOSA-N 1 1 291.822 3.438 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)CCCO1 ZINC000559497513 327248964 /nfs/dbraw/zinc/24/89/64/327248964.db2.gz MICAYJZORWIOFA-KRWDZBQOSA-N 1 1 291.822 3.438 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)CCCCC1 ZINC000560098468 327284088 /nfs/dbraw/zinc/28/40/88/327284088.db2.gz KJEVRWBGTCLSCH-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CC[N@H+](Cc1nc(-c2ccsc2)no1)C1CCCC1 ZINC000155790638 327397645 /nfs/dbraw/zinc/39/76/45/327397645.db2.gz UINCHKFBMITSGP-UHFFFAOYSA-N 1 1 287.388 3.176 20 30 CGEDMO C#CC[N@@H+](Cc1nc(-c2ccsc2)no1)C1CCCC1 ZINC000155790638 327397646 /nfs/dbraw/zinc/39/76/46/327397646.db2.gz UINCHKFBMITSGP-UHFFFAOYSA-N 1 1 287.388 3.176 20 30 CGEDMO C=C[C@H](CO)[NH2+][C@H](C)c1cc(Cl)sc1Cl ZINC000289712853 327577931 /nfs/dbraw/zinc/57/79/31/327577931.db2.gz JFKBPOAOKOMXNI-RNFRBKRXSA-N 1 1 266.193 3.252 20 30 CGEDMO Cc1ccc(C)c(NC(=O)C[NH+]2CCC(CCC#N)CC2)c1 ZINC000570678838 327610737 /nfs/dbraw/zinc/61/07/37/327610737.db2.gz HHJCQHMGZDLOQU-UHFFFAOYSA-N 1 1 299.418 3.258 20 30 CGEDMO CCCCCCCCC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000377426130 329014953 /nfs/dbraw/zinc/01/49/53/329014953.db2.gz LRDUMTCGRVZUMT-HZPDHXFCSA-N 1 1 280.456 3.480 20 30 CGEDMO C=CC[N@@H+](CCc1cccnc1)Cc1cccs1 ZINC000172071270 329080945 /nfs/dbraw/zinc/08/09/45/329080945.db2.gz KIHZBIFDASAHKD-UHFFFAOYSA-N 1 1 258.390 3.374 20 30 CGEDMO CCO[C@H]1C[C@@H]([N@@H+](C)CCCC#N)C1(CC)CC ZINC000177405752 329184089 /nfs/dbraw/zinc/18/40/89/329184089.db2.gz BYQZMIACNQVEIT-KGLIPLIRSA-N 1 1 252.402 3.206 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182462379 329239706 /nfs/dbraw/zinc/23/97/06/329239706.db2.gz XBUIBIPHSYBMDA-UHFFFAOYSA-N 1 1 254.717 3.256 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182462379 329239707 /nfs/dbraw/zinc/23/97/07/329239707.db2.gz XBUIBIPHSYBMDA-UHFFFAOYSA-N 1 1 254.717 3.256 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000181044255 329225209 /nfs/dbraw/zinc/22/52/09/329225209.db2.gz MFYUQVDQWILDLT-UHFFFAOYSA-N 1 1 259.328 3.019 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000181244328 329227184 /nfs/dbraw/zinc/22/71/84/329227184.db2.gz FCEAPWRLYOJENY-AWEZNQCLSA-N 1 1 260.381 3.138 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000181251823 329227892 /nfs/dbraw/zinc/22/78/92/329227892.db2.gz BJYGUTNGLQDUDI-NSHDSACASA-N 1 1 266.772 3.175 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000181251823 329227893 /nfs/dbraw/zinc/22/78/93/329227893.db2.gz BJYGUTNGLQDUDI-NSHDSACASA-N 1 1 266.772 3.175 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000181281001 329229206 /nfs/dbraw/zinc/22/92/06/329229206.db2.gz NNGMZKVJTVQDFS-LSDHHAIUSA-N 1 1 274.408 3.069 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000181285046 329229670 /nfs/dbraw/zinc/22/96/70/329229670.db2.gz GRTYUMUGQSPRGY-CYBMUJFWSA-N 1 1 283.375 3.070 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000181285046 329229672 /nfs/dbraw/zinc/22/96/72/329229672.db2.gz GRTYUMUGQSPRGY-CYBMUJFWSA-N 1 1 283.375 3.070 20 30 CGEDMO C[C@@H]([NH2+]CCCC#N)c1ncc(-c2ccccc2)o1 ZINC000183122501 329244923 /nfs/dbraw/zinc/24/49/23/329244923.db2.gz SPGQIVAEDVKYMN-GFCCVEGCSA-N 1 1 255.321 3.296 20 30 CGEDMO CC(C)[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1nc(C2CC2)no1 ZINC000185885115 329334507 /nfs/dbraw/zinc/33/45/07/329334507.db2.gz JACZJKSKCKBFCD-UBHSHLNASA-N 1 1 288.395 3.316 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccn(-c2ccccc2F)n1 ZINC000189024650 329374914 /nfs/dbraw/zinc/37/49/14/329374914.db2.gz HXIYOMOMCGKRIX-UHFFFAOYSA-N 1 1 273.355 3.409 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1ccccc1O ZINC000272697227 330087258 /nfs/dbraw/zinc/08/72/58/330087258.db2.gz XZKLYQXMEMSXAJ-UHFFFAOYSA-N 1 1 257.333 3.216 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000274787014 330107563 /nfs/dbraw/zinc/10/75/63/330107563.db2.gz MPIFFHTUQPZDRV-HNNXBMFYSA-N 1 1 287.407 3.007 20 30 CGEDMO CC1(C#N)CCC(NCC[NH2+]C2CCCCCC2)CC1 ZINC000423286216 330186173 /nfs/dbraw/zinc/18/61/73/330186173.db2.gz ZXQUUOKHVZBBGH-UHFFFAOYSA-N 1 1 277.456 3.361 20 30 CGEDMO CC1(C#N)CCC([NH2+]CCNC2CCCCCC2)CC1 ZINC000423286216 330186175 /nfs/dbraw/zinc/18/61/75/330186175.db2.gz ZXQUUOKHVZBBGH-UHFFFAOYSA-N 1 1 277.456 3.361 20 30 CGEDMO C=CCC[C@@H]([NH2+]CC1(N)C2CC3CC(C2)CC1C3)C1CC1 ZINC000423523756 330210047 /nfs/dbraw/zinc/21/00/47/330210047.db2.gz INNYRXRVDLWGEI-XQPWLTOXSA-N 1 1 288.479 3.474 20 30 CGEDMO C=CC(C)(C)CC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000527927978 330296864 /nfs/dbraw/zinc/29/68/64/330296864.db2.gz SNIDGVICGIKLIC-RRFJBIMHSA-N 1 1 250.430 3.051 20 30 CGEDMO C=CC[N@@H+](C)[C@@H](C)C(=O)Nc1c(CC)cccc1CC ZINC000121237433 330398296 /nfs/dbraw/zinc/39/82/96/330398296.db2.gz CZBRKCCQIIXLPO-ZDUSSCGKSA-N 1 1 274.408 3.256 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)C(=O)Nc1c(CC)cccc1CC ZINC000121237433 330398297 /nfs/dbraw/zinc/39/82/97/330398297.db2.gz CZBRKCCQIIXLPO-ZDUSSCGKSA-N 1 1 274.408 3.256 20 30 CGEDMO C[N@@H+](Cc1cccc2[nH]ccc21)CC1(C#N)CCC1 ZINC000450846687 331002433 /nfs/dbraw/zinc/00/24/33/331002433.db2.gz NGDHDSJSJDKMFS-UHFFFAOYSA-N 1 1 253.349 3.294 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000451412880 331028319 /nfs/dbraw/zinc/02/83/19/331028319.db2.gz OQYLXJSEVUFVCW-OAHLLOKOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC000459370550 331278717 /nfs/dbraw/zinc/27/87/17/331278717.db2.gz ITHWGJMMCHQFHI-UHFFFAOYSA-N 1 1 283.375 3.247 20 30 CGEDMO CC#CCC[N@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000462357270 331320323 /nfs/dbraw/zinc/32/03/23/331320323.db2.gz SNNHNAHQDXREKT-HNNXBMFYSA-N 1 1 263.768 3.207 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000488437797 332008332 /nfs/dbraw/zinc/00/83/32/332008332.db2.gz XAANGNKUYIPLBF-GFCCVEGCSA-N 1 1 265.319 3.122 20 30 CGEDMO C=CCOc1ccccc1CN1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000488530506 332015651 /nfs/dbraw/zinc/01/56/51/332015651.db2.gz CZNNHMQJCVNTGT-QGZVFWFLSA-N 1 1 288.435 3.023 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1C[C@H](O)COc1cc(C)cc(C)c1 ZINC000489406110 332050679 /nfs/dbraw/zinc/05/06/79/332050679.db2.gz RHYZJBMEBBKRCS-IRXDYDNUSA-N 1 1 289.419 3.084 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cc(F)cc2c1OCOC2 ZINC000489442182 332052726 /nfs/dbraw/zinc/05/27/26/332052726.db2.gz SJBXTGRCAOFERN-OAHLLOKOSA-N 1 1 277.339 3.233 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc2c1OCOC2 ZINC000489442182 332052727 /nfs/dbraw/zinc/05/27/27/332052727.db2.gz SJBXTGRCAOFERN-OAHLLOKOSA-N 1 1 277.339 3.233 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CCC(=O)N(C)c1ccccc1 ZINC000489448702 332053214 /nfs/dbraw/zinc/05/32/14/332053214.db2.gz NGJSVLSGJPJUAK-HNNXBMFYSA-N 1 1 272.392 3.080 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000489477158 332054886 /nfs/dbraw/zinc/05/48/86/332054886.db2.gz OAQHBHKTABKTIQ-XJKSGUPXSA-N 1 1 290.382 3.043 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000489477158 332054887 /nfs/dbraw/zinc/05/48/87/332054887.db2.gz OAQHBHKTABKTIQ-XJKSGUPXSA-N 1 1 290.382 3.043 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(C)=O ZINC000489485047 332055607 /nfs/dbraw/zinc/05/56/07/332055607.db2.gz SMWYTZZLFMBAOX-HNNXBMFYSA-N 1 1 273.376 3.309 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)C[C@H]1CCO[C@@H](C)C1 ZINC000491069877 332145681 /nfs/dbraw/zinc/14/56/81/332145681.db2.gz YTNZRTXYCXANPR-RDJZCZTQSA-N 1 1 259.393 3.490 20 30 CGEDMO C=CCCC[N@H+]1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000491195462 332164041 /nfs/dbraw/zinc/16/40/41/332164041.db2.gz JZVYXAPPUFSDDT-MRXNPFEDSA-N 1 1 263.356 3.474 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)CCc1ccc2c(c1)CCO2 ZINC000491344092 332193741 /nfs/dbraw/zinc/19/37/41/332193741.db2.gz WGAMJCHYECMOCS-UHFFFAOYSA-N 1 1 297.398 3.488 20 30 CGEDMO C#CC(C)(C)[N@H+](C)CC(=O)Nc1c(C)cc(C)cc1Cl ZINC000491453075 332214271 /nfs/dbraw/zinc/21/42/71/332214271.db2.gz PEBUUBFKEIIEAZ-UHFFFAOYSA-N 1 1 292.810 3.239 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1c(C)cc(C)cc1Cl ZINC000491453075 332214272 /nfs/dbraw/zinc/21/42/72/332214272.db2.gz PEBUUBFKEIIEAZ-UHFFFAOYSA-N 1 1 292.810 3.239 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1cccc(C(=O)C(F)(F)F)c1 ZINC000491555167 332237177 /nfs/dbraw/zinc/23/71/77/332237177.db2.gz PGVDUTXFRAKJGT-UHFFFAOYSA-N 1 1 283.293 3.275 20 30 CGEDMO C#C[C@H]([NH2+]Cc1sc(C)nc1C)c1ccc(F)cc1 ZINC000491653367 332266015 /nfs/dbraw/zinc/26/60/15/332266015.db2.gz CPQPBJHPBXYHOE-AWEZNQCLSA-N 1 1 274.364 3.363 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1ncc(-c2ccccc2C)o1 ZINC000491738205 332317756 /nfs/dbraw/zinc/31/77/56/332317756.db2.gz WNMDGIQTOFSJLM-UHFFFAOYSA-N 1 1 268.360 3.494 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1ncc(-c2ccccc2C)o1 ZINC000491738205 332317757 /nfs/dbraw/zinc/31/77/57/332317757.db2.gz WNMDGIQTOFSJLM-UHFFFAOYSA-N 1 1 268.360 3.494 20 30 CGEDMO C#C[C@H]([NH2+]Cc1coc(-c2ccccc2)n1)C(C)C ZINC000491785642 332348352 /nfs/dbraw/zinc/34/83/52/332348352.db2.gz RVKQNOZRQNCBIY-HNNXBMFYSA-N 1 1 254.333 3.089 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000305819150 333000039 /nfs/dbraw/zinc/00/00/39/333000039.db2.gz PREGOAPVGWQXNN-CZUORRHYSA-N 1 1 297.826 3.286 20 30 CGEDMO C=C(CC)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309908952 333051258 /nfs/dbraw/zinc/05/12/58/333051258.db2.gz LHULBURVTBFOFS-FUHWJXTLSA-N 1 1 272.436 3.453 20 30 CGEDMO C[C@H]1CC[C@@H]([N@H+](CC#Cc2cccc(Cl)c2)CCO)C1 ZINC000572529508 333383913 /nfs/dbraw/zinc/38/39/13/333383913.db2.gz WIOFCTRZMFJQOD-WMLDXEAASA-N 1 1 291.822 3.174 20 30 CGEDMO COc1ccc([C@H](C)[NH2+]CC2(C#N)CCC2)c(OC)c1 ZINC000528668060 333451823 /nfs/dbraw/zinc/45/18/23/333451823.db2.gz HWOGBKDLVWSZDM-LBPRGKRZSA-N 1 1 274.364 3.048 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000076801787 334089090 /nfs/dbraw/zinc/08/90/90/334089090.db2.gz DFFLPPGZOZUJMQ-UHFFFAOYSA-N 1 1 280.799 3.485 20 30 CGEDMO CCOCC[N@@H+](CC)CC#Cc1ccccc1Cl ZINC000135061913 334114042 /nfs/dbraw/zinc/11/40/42/334114042.db2.gz KMRRFHAGYTYUES-UHFFFAOYSA-N 1 1 265.784 3.050 20 30 CGEDMO COc1c(C)cc(C[N@@H+](C)CCCSCC#N)cc1C ZINC000080627987 334172760 /nfs/dbraw/zinc/17/27/60/334172760.db2.gz GPSYHOIGEKDVOZ-UHFFFAOYSA-N 1 1 292.448 3.391 20 30 CGEDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000549469093 334194921 /nfs/dbraw/zinc/19/49/21/334194921.db2.gz REAXBRNWRSKTSM-ILXRZTDVSA-N 1 1 292.423 3.122 20 30 CGEDMO C=CCOCC[N@H+]1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000549860976 334207243 /nfs/dbraw/zinc/20/72/43/334207243.db2.gz UTQSXEPKUOALKK-CZUORRHYSA-N 1 1 263.356 3.411 20 30 CGEDMO C=CCOCC[N@@H+]1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000549865877 334207359 /nfs/dbraw/zinc/20/73/59/334207359.db2.gz XWRZHNCRNCXAIR-NVXWUHKLSA-N 1 1 259.393 3.142 20 30 CGEDMO C=CCOCC[N@@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000549865879 334207399 /nfs/dbraw/zinc/20/73/99/334207399.db2.gz XWRZHNCRNCXAIR-WBVHZDCISA-N 1 1 259.393 3.142 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000550009882 334211162 /nfs/dbraw/zinc/21/11/62/334211162.db2.gz GPVIFUMTUIYYNJ-INIZCTEOSA-N 1 1 295.810 3.386 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000550961831 334234991 /nfs/dbraw/zinc/23/49/91/334234991.db2.gz MLZBYBQXRIJJQL-OAHLLOKOSA-N 1 1 288.435 3.225 20 30 CGEDMO C=CCCCCC[N@@H+](C)[C@H]1CCN(CC)C[C@@H]1C ZINC000249279078 334331181 /nfs/dbraw/zinc/33/11/81/334331181.db2.gz MVOXXNAXLVFEKQ-HOTGVXAUSA-N 1 1 252.446 3.395 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCN(CC)C[C@@H]1C ZINC000249279078 334331182 /nfs/dbraw/zinc/33/11/82/334331182.db2.gz MVOXXNAXLVFEKQ-HOTGVXAUSA-N 1 1 252.446 3.395 20 30 CGEDMO C=C(CC)CNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000576289584 335184216 /nfs/dbraw/zinc/18/42/16/335184216.db2.gz IYNURHKAIOVQKR-AWEZNQCLSA-N 1 1 280.799 3.025 20 30 CGEDMO CSCC[C@@H](C)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000343433694 335204366 /nfs/dbraw/zinc/20/43/66/335204366.db2.gz VOULQOLOFONARY-CYBMUJFWSA-N 1 1 262.422 3.326 20 30 CGEDMO CC[N@@H+](Cc1ccc(CC#N)cc1)Cc1ccccn1 ZINC000343610935 335211688 /nfs/dbraw/zinc/21/16/88/335211688.db2.gz NIKNNRHNIPFFDX-UHFFFAOYSA-N 1 1 265.360 3.170 20 30 CGEDMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000576706809 335238002 /nfs/dbraw/zinc/23/80/02/335238002.db2.gz AHAIDSOFHQBEND-RISCZKNCSA-N 1 1 273.336 3.087 20 30 CGEDMO CC[C@H](C[NH2+]CCC#N)Oc1ccccc1C(F)(F)F ZINC000577504260 335360922 /nfs/dbraw/zinc/36/09/22/335360922.db2.gz YSKXJVWQCXYIKC-LLVKDONJSA-N 1 1 286.297 3.366 20 30 CGEDMO N#Cc1ccc(C[N@@H+](C[C@@H]2CCCCO2)C2CC2)cc1 ZINC000194966989 336041324 /nfs/dbraw/zinc/04/13/24/336041324.db2.gz CUNOZIBVIFKUAM-KRWDZBQOSA-N 1 1 270.376 3.092 20 30 CGEDMO COc1ccccc1C[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000177503030 534061344 /nfs/dbraw/zinc/06/13/44/534061344.db2.gz HKCMWYLFZHKUPT-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO COc1ccccc1C[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000177503030 534061353 /nfs/dbraw/zinc/06/13/53/534061353.db2.gz HKCMWYLFZHKUPT-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CCC(C)(C#N)CC2)c1 ZINC000336442469 534080152 /nfs/dbraw/zinc/08/01/52/534080152.db2.gz UYLIEDQTRBYVOW-HNNXBMFYSA-N 1 1 299.418 3.256 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cncs1 ZINC000425365157 534082245 /nfs/dbraw/zinc/08/22/45/534082245.db2.gz JAEFWLULPGNGKA-NSHDSACASA-N 1 1 257.362 3.208 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cncs1 ZINC000425365157 534082249 /nfs/dbraw/zinc/08/22/49/534082249.db2.gz JAEFWLULPGNGKA-NSHDSACASA-N 1 1 257.362 3.208 20 30 CGEDMO N#CC1(F)CC[NH+](CCCCC(F)(F)F)CC1 ZINC000352490501 534567932 /nfs/dbraw/zinc/56/79/32/534567932.db2.gz JJSKJMSMDNCLSP-UHFFFAOYSA-N 1 1 252.255 3.047 20 30 CGEDMO C[N@H+](Cc1ccc2c(c1)CCO2)Cc1cc(C#N)ccc1F ZINC000111200985 523275452 /nfs/dbraw/zinc/27/54/52/523275452.db2.gz FISUFVHXLBJALC-UHFFFAOYSA-N 1 1 296.345 3.264 20 30 CGEDMO C[N@@H+](Cc1ccc2c(c1)CCO2)Cc1cc(C#N)ccc1F ZINC000111200985 523275458 /nfs/dbraw/zinc/27/54/58/523275458.db2.gz FISUFVHXLBJALC-UHFFFAOYSA-N 1 1 296.345 3.264 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCSC3(CCC3)CC2)cc1 ZINC000411872306 534782916 /nfs/dbraw/zinc/78/29/16/534782916.db2.gz UZMPZLHHBDUACJ-UHFFFAOYSA-N 1 1 272.417 3.420 20 30 CGEDMO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000366098584 534852655 /nfs/dbraw/zinc/85/26/55/534852655.db2.gz VSWDSXCOGSGRAM-QGZVFWFLSA-N 1 1 298.365 3.076 20 30 CGEDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000366098584 534852658 /nfs/dbraw/zinc/85/26/58/534852658.db2.gz VSWDSXCOGSGRAM-QGZVFWFLSA-N 1 1 298.365 3.076 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H]1CCO[C@@H](C)C1 ZINC000352690694 526347391 /nfs/dbraw/zinc/34/73/91/526347391.db2.gz GJLVQKWOOXKKIU-YJBOKZPZSA-N 1 1 284.403 3.361 20 30 CGEDMO C=C(C)CC[N@@H+](Cc1cccs1)[C@@H]1C=C[C@@H](CO)C1 ZINC000347313676 526443112 /nfs/dbraw/zinc/44/31/12/526443112.db2.gz GBEBWPHUPCDYPR-HUUCEWRRSA-N 1 1 277.433 3.453 20 30 CGEDMO N#Cc1cccc(CNc2cc[nH+]cc2Br)c1 ZINC000163900501 526711421 /nfs/dbraw/zinc/71/14/21/526711421.db2.gz CBFJIYCAHJWODK-UHFFFAOYSA-N 1 1 288.148 3.328 20 30 CGEDMO C=CCOCCC[N@H+]1CCC[C@H]1c1nc2c([nH]1)CCCC2 ZINC000344903973 526755883 /nfs/dbraw/zinc/75/58/83/526755883.db2.gz ZSMKOJCKKDPMTN-INIZCTEOSA-N 1 1 289.423 3.018 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C[C@H](C)OC)C(C)C)cc1 ZINC000353788528 526864187 /nfs/dbraw/zinc/86/41/87/526864187.db2.gz BRAAZHCMNJHBGZ-HNNXBMFYSA-N 1 1 277.408 3.497 20 30 CGEDMO C=CC[C@@H](CC)NC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000347629528 527043422 /nfs/dbraw/zinc/04/34/22/527043422.db2.gz HBMRCNVYZKBPMF-OWCLPIDISA-N 1 1 295.471 3.008 20 30 CGEDMO C=CCCCCC[N@@H+](C)CC(=O)c1cc(C)[nH]c1C ZINC000351914024 527129434 /nfs/dbraw/zinc/12/94/34/527129434.db2.gz YHEPUGCFFWCQEM-UHFFFAOYSA-N 1 1 262.397 3.492 20 30 CGEDMO C=CCCCCC[N@H+](C)CC(=O)c1cc(C)[nH]c1C ZINC000351914024 527129439 /nfs/dbraw/zinc/12/94/39/527129439.db2.gz YHEPUGCFFWCQEM-UHFFFAOYSA-N 1 1 262.397 3.492 20 30 CGEDMO C=CC[NH+](CC=C)[C@@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000355453328 527644547 /nfs/dbraw/zinc/64/45/47/527644547.db2.gz HERBBHXZSFWRLB-KGLIPLIRSA-N 1 1 290.382 3.065 20 30 CGEDMO CC(C)C[N@@H+](CCC(C)(C)O)Cc1ccc(C#N)cc1 ZINC000360458498 527939059 /nfs/dbraw/zinc/93/90/59/527939059.db2.gz ZEEYGKRQOUYKTF-UHFFFAOYSA-N 1 1 274.408 3.177 20 30 CGEDMO CC(C)C[N@H+]1CCCC[C@H]1CNc1c(C#N)cccc1C#N ZINC000436406748 527970822 /nfs/dbraw/zinc/97/08/22/527970822.db2.gz RQDYDKJPFCUSDU-KRWDZBQOSA-N 1 1 296.418 3.352 20 30 CGEDMO CC(C)C[C@@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000356107374 528376813 /nfs/dbraw/zinc/37/68/13/528376813.db2.gz GVBKWIXEMZCFFA-LBPRGKRZSA-N 1 1 263.410 3.273 20 30 CGEDMO CC(C)C[C@@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000356107374 528376816 /nfs/dbraw/zinc/37/68/16/528376816.db2.gz GVBKWIXEMZCFFA-LBPRGKRZSA-N 1 1 263.410 3.273 20 30 CGEDMO CC(C)C[C@H]1CCCC[N@H+]1Cc1nc(C#N)cs1 ZINC000356134066 528585465 /nfs/dbraw/zinc/58/54/65/528585465.db2.gz JQLDRJOKAANGEH-CYBMUJFWSA-N 1 1 263.410 3.415 20 30 CGEDMO CC[N@H+]1CCC[C@H](CNc2nc(C)c(C#N)cc2Cl)C1 ZINC000359906745 529085448 /nfs/dbraw/zinc/08/54/48/529085448.db2.gz FQXCUNDROZCCHV-GFCCVEGCSA-N 1 1 292.814 3.059 20 30 CGEDMO CC[C@@H](C)[N@@H+](C)CCN[C@H](C)c1ccc(C#N)cc1F ZINC000358571190 529344087 /nfs/dbraw/zinc/34/40/87/529344087.db2.gz OONBTRAXVVLBJO-CHWSQXEVSA-N 1 1 277.387 3.078 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000747790829 572949776 /nfs/dbraw/zinc/94/97/76/572949776.db2.gz QGOSMPDNOOIDEM-HUUCEWRRSA-N 1 1 265.784 3.327 20 30 CGEDMO C=CC[NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000205033611 571809233 /nfs/dbraw/zinc/80/92/33/571809233.db2.gz BFAKFIDTMHQGEW-INIZCTEOSA-N 1 1 266.344 3.142 20 30 CGEDMO C#CC[N@H+](CC[S@](=O)c1ccccc1)C1CCCCC1 ZINC000729473604 571920097 /nfs/dbraw/zinc/92/00/97/571920097.db2.gz MRYKQSLZQFJBOQ-FQEVSTJZSA-N 1 1 289.444 3.062 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1nc2ccccc2s1)C(C)C ZINC000732198240 572454203 /nfs/dbraw/zinc/45/42/03/572454203.db2.gz YWQOMSSJMXGSIL-UHFFFAOYSA-N 1 1 289.404 3.131 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1nc2ccccc2s1)C(C)C ZINC000732198240 572454206 /nfs/dbraw/zinc/45/42/06/572454206.db2.gz YWQOMSSJMXGSIL-UHFFFAOYSA-N 1 1 289.404 3.131 20 30 CGEDMO CCCCCCC[N@H+]1CCc2ccccc2[C@@H]1C(N)=O ZINC000740877353 572464855 /nfs/dbraw/zinc/46/48/55/572464855.db2.gz CHJMCVZPXYKMIH-MRXNPFEDSA-N 1 1 274.408 3.042 20 30 CGEDMO C=C(Cl)C[N@H+](CCC)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000741054729 572480031 /nfs/dbraw/zinc/48/00/31/572480031.db2.gz UJFQCEZRBWWKPU-UPJWGTAASA-N 1 1 257.805 3.264 20 30 CGEDMO CC[N@H+]1CCC(N=Nc2nccc3sccc32)[C@H](C)C1 ZINC000741461149 572499759 /nfs/dbraw/zinc/49/97/59/572499759.db2.gz FTJWHWBOVJYZPC-LLVKDONJSA-N 1 1 288.420 3.426 20 30 CGEDMO CCCCCCCCC[N@@H+](C)CN1CCCC1=O ZINC000733294595 572552354 /nfs/dbraw/zinc/55/23/54/572552354.db2.gz KMYRCBVCFDVZOP-UHFFFAOYSA-N 1 1 254.418 3.249 20 30 CGEDMO CC1(C)CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000743863096 572691747 /nfs/dbraw/zinc/69/17/47/572691747.db2.gz UJKIYZKWYOESOU-UHFFFAOYSA-N 1 1 278.783 3.474 20 30 CGEDMO CC(C)[C@H](C)[N@@H+](C)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000744147526 572713986 /nfs/dbraw/zinc/71/39/86/572713986.db2.gz RJTQGVKLVYLGGN-AWEZNQCLSA-N 1 1 282.391 3.356 20 30 CGEDMO CCCCCC[N@@H+](C)CC(=O)N[C@]1(C#N)CCC[C@@H](C)C1 ZINC000735658412 572737333 /nfs/dbraw/zinc/73/73/33/572737333.db2.gz ATCAOSOCNNOEKB-NVXWUHKLSA-N 1 1 293.455 3.087 20 30 CGEDMO C#CCOc1ccccc1C[N@H+](C)Cc1cccc(C)n1 ZINC000736309885 572780505 /nfs/dbraw/zinc/78/05/05/572780505.db2.gz GZIDHGZEBCEGLA-UHFFFAOYSA-N 1 1 280.371 3.034 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+](C)Cc1cccc(C)n1 ZINC000736309885 572780506 /nfs/dbraw/zinc/78/05/06/572780506.db2.gz GZIDHGZEBCEGLA-UHFFFAOYSA-N 1 1 280.371 3.034 20 30 CGEDMO CCCCCCCOC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000745089943 572796435 /nfs/dbraw/zinc/79/64/35/572796435.db2.gz SSSMWGPOJCBGAQ-AWEZNQCLSA-N 1 1 255.402 3.374 20 30 CGEDMO CCCCCCCOC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000745089943 572796438 /nfs/dbraw/zinc/79/64/38/572796438.db2.gz SSSMWGPOJCBGAQ-AWEZNQCLSA-N 1 1 255.402 3.374 20 30 CGEDMO COc1cc(C[N@H+](CCC#N)CC(C)C)cc(OC)c1 ZINC000746153142 572856818 /nfs/dbraw/zinc/85/68/18/572856818.db2.gz QVBFERKLSUCFCJ-UHFFFAOYSA-N 1 1 276.380 3.075 20 30 CGEDMO COc1cc(C[N@@H+](CCC#N)CC(C)C)cc(OC)c1 ZINC000746153142 572856823 /nfs/dbraw/zinc/85/68/23/572856823.db2.gz QVBFERKLSUCFCJ-UHFFFAOYSA-N 1 1 276.380 3.075 20 30 CGEDMO C[C@H]1CC(N=Nc2ccc(C(F)(F)F)cc2)C[N@H+]1C ZINC000746575687 572881209 /nfs/dbraw/zinc/88/12/09/572881209.db2.gz GNYLFMHOYYKWOK-VIFPVBQESA-N 1 1 271.286 3.197 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000747790829 572949774 /nfs/dbraw/zinc/94/97/74/572949774.db2.gz QGOSMPDNOOIDEM-HUUCEWRRSA-N 1 1 265.784 3.327 20 30 CGEDMO CCCCCCCCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC000748564435 572980401 /nfs/dbraw/zinc/98/04/01/572980401.db2.gz JOPBSHGYXSTNJS-OAHLLOKOSA-N 1 1 268.445 3.290 20 30 CGEDMO COCc1cccc(C[N@H+](CCC#N)CC(C)C)c1 ZINC000749515355 573015060 /nfs/dbraw/zinc/01/50/60/573015060.db2.gz ZPZLEMQCMLAYTL-UHFFFAOYSA-N 1 1 260.381 3.205 20 30 CGEDMO COCc1cccc(C[N@@H+](CCC#N)CC(C)C)c1 ZINC000749515355 573015068 /nfs/dbraw/zinc/01/50/68/573015068.db2.gz ZPZLEMQCMLAYTL-UHFFFAOYSA-N 1 1 260.381 3.205 20 30 CGEDMO C#CC[N@H+](Cc1ccnc(C#N)c1)[C@@H]1CCc2ccccc21 ZINC000749513412 573015595 /nfs/dbraw/zinc/01/55/95/573015595.db2.gz DXXZQABRWVXUPN-LJQANCHMSA-N 1 1 287.366 3.076 20 30 CGEDMO C#CC[N@@H+](Cc1ccnc(C#N)c1)[C@@H]1CCc2ccccc21 ZINC000749513412 573015598 /nfs/dbraw/zinc/01/55/98/573015598.db2.gz DXXZQABRWVXUPN-LJQANCHMSA-N 1 1 287.366 3.076 20 30 CGEDMO N#CCOc1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000750063742 573078965 /nfs/dbraw/zinc/07/89/65/573078965.db2.gz YLRQVHSMSUHXGC-IYBDPMFKSA-N 1 1 270.376 3.211 20 30 CGEDMO C[C@H]1CCC(=[NH+]n2cc(Br)cn2)C[C@@H]1C ZINC000767388845 627404281 /nfs/dbraw/zinc/40/42/81/627404281.db2.gz XVASDOMLAJQISR-IUCAKERBSA-N 1 1 270.174 3.306 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[N@@H+](CC2CCCC2)CC1 ZINC000981741176 613240059 /nfs/dbraw/zinc/24/00/59/613240059.db2.gz TWKCGSPCEANASR-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)CC2CCCC2)C1 ZINC000972073013 613241584 /nfs/dbraw/zinc/24/15/84/613241584.db2.gz NOBSHFVKQQMCOR-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)C1CCC1 ZINC000968724568 613250612 /nfs/dbraw/zinc/25/06/12/613250612.db2.gz GYTZUZXOIZLGDY-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[C@H]2C)CC1 ZINC000981844621 613253702 /nfs/dbraw/zinc/25/37/02/613253702.db2.gz FQPLRDZWUJTEQU-IAGOWNOFSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)c2ccc(Cl)o2)CC1 ZINC000980714747 613254735 /nfs/dbraw/zinc/25/47/35/613254735.db2.gz IOIUFNOQNCITNM-UHFFFAOYSA-N 1 1 296.798 3.047 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)C2CCCC2)CC1 ZINC000948137140 613256555 /nfs/dbraw/zinc/25/65/55/613256555.db2.gz WSGSTQFKBDLNDH-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC2(C)C)C(C)(C)C1 ZINC000940689800 613266901 /nfs/dbraw/zinc/26/69/01/613266901.db2.gz PJHCYQWPZFBAFZ-LSDHHAIUSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)=C2CCC2)C1 ZINC000966003808 613268855 /nfs/dbraw/zinc/26/88/55/613268855.db2.gz LREAHBXJEPAGQE-YOEHRIQHSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2CC(C)(C)C2)C1 ZINC000965989951 613270127 /nfs/dbraw/zinc/27/01/27/613270127.db2.gz KTYXWXQRYCFOIV-GOEBONIOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC000980456015 613285727 /nfs/dbraw/zinc/28/57/27/613285727.db2.gz GTXBJOAVGBAEOH-SJLPKXTDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)C1=CCCC1 ZINC000968809204 613306350 /nfs/dbraw/zinc/30/63/50/613306350.db2.gz GKJAUSUCJBPCSP-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000968723188 613306497 /nfs/dbraw/zinc/30/64/97/613306497.db2.gz VCABNPLGQDZUNI-QGZVFWFLSA-N 1 1 286.419 3.237 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC2(C)C)CC1 ZINC000948684199 613313864 /nfs/dbraw/zinc/31/38/64/613313864.db2.gz JCEVWDDZUGGTJM-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)C[C@@H]2C=CCC2)CC1 ZINC000948173060 613314662 /nfs/dbraw/zinc/31/46/62/613314662.db2.gz HGQGSFJESDJJJI-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)C2(C)CCC2)CC1 ZINC000948681297 613314804 /nfs/dbraw/zinc/31/48/04/613314804.db2.gz UWMSAYAIYNUYDK-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C2CCC2)[C@@H](C)C1 ZINC000942535614 613326437 /nfs/dbraw/zinc/32/64/37/613326437.db2.gz LQSWCGPIUNHDJM-GOEBONIOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC=CCC2)C(C)(C)C1 ZINC000940556817 613328590 /nfs/dbraw/zinc/32/85/90/613328590.db2.gz FNRCMBZKSOGSNS-HZPDHXFCSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2oc(C)cc2C)C[C@H]1C ZINC000947166558 613331881 /nfs/dbraw/zinc/33/18/81/613331881.db2.gz PLLRHHPIZUBWAH-UKRRQHHQSA-N 1 1 290.407 3.055 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cscc2C)[C@H](C)C1 ZINC000941905226 613337000 /nfs/dbraw/zinc/33/70/00/613337000.db2.gz XVTIVIAGDUVFAC-DOMZBBRYSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@H](C)C2CCCC2)C(C)(C)C1 ZINC000977449368 613341987 /nfs/dbraw/zinc/34/19/87/613341987.db2.gz JGSCGORYCKQJGZ-ZBFHGGJFSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CC(C)C2)C(C)(C)C1 ZINC000940664856 613378503 /nfs/dbraw/zinc/37/85/03/613378503.db2.gz OCSBASSXHMWGSR-UBHUBRDASA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CC(C)C2)C(C)(C)C1 ZINC000940664856 613378504 /nfs/dbraw/zinc/37/85/04/613378504.db2.gz OCSBASSXHMWGSR-UBHUBRDASA-N 1 1 298.858 3.002 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[N@H+](C[C@H](C)CC)CC2)CC1 ZINC000981874056 613405141 /nfs/dbraw/zinc/40/51/41/613405141.db2.gz WOIFWZDZJVFXRO-OAHLLOKOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C1CCC(C(=O)NC[C@H]2CCCCC[N@@H+]2CCF)CC1 ZINC000969014019 613408555 /nfs/dbraw/zinc/40/85/55/613408555.db2.gz MZMFUNLBXYOWSI-MRXNPFEDSA-N 1 1 296.430 3.063 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCF)[C@H](C)C2)CC1 ZINC000947690160 613410169 /nfs/dbraw/zinc/41/01/69/613410169.db2.gz RIZMVWVKDUFHPD-GDBMZVCRSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@]2(CC)C(C)C)CC1 ZINC000983391804 613495173 /nfs/dbraw/zinc/49/51/73/613495173.db2.gz YERLNCBERLEDME-FUHWJXTLSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)c2cscc2Cl)CC1 ZINC000981401433 613499010 /nfs/dbraw/zinc/49/90/10/613499010.db2.gz PSMVPWLYBWILRN-UHFFFAOYSA-N 1 1 298.839 3.126 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)/C(C)=C\C)C1 ZINC000963281792 613500297 /nfs/dbraw/zinc/50/02/97/613500297.db2.gz MUSLBYLRFYZTSV-XIENNYHASA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2sccc2C)C1 ZINC000964682910 613516917 /nfs/dbraw/zinc/51/69/17/613516917.db2.gz GQCLJFKGJMEWRZ-OCCSQVGLSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2CCC(=C)CC2)C1 ZINC000968216107 613517330 /nfs/dbraw/zinc/51/73/30/613517330.db2.gz ZSVDLNVIMYRYOR-NVXWUHKLSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C2CCC=CCC2)C[C@@H]1C ZINC000948047609 613519802 /nfs/dbraw/zinc/51/98/02/613519802.db2.gz HZPXCSMRXYIVKH-DOTOQJQBSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2C)[C@H](C)C1 ZINC000941767546 613524583 /nfs/dbraw/zinc/52/45/83/613524583.db2.gz GVJYHBFVUIXOTL-NVXWUHKLSA-N 1 1 286.419 3.011 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)C(F)=C2CCCC2)[C@H](C)C1 ZINC000941955428 613533275 /nfs/dbraw/zinc/53/32/75/613533275.db2.gz NIZZMIORUBSUGY-HIFRSBDPSA-N 1 1 294.414 3.187 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C(C)=C2CCCC2)C(C)(C)C1 ZINC000973022683 613543284 /nfs/dbraw/zinc/54/32/84/613543284.db2.gz KZLHGXDBHHYIAW-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC2(C)C)C(C)(C)C1 ZINC000974935281 613544503 /nfs/dbraw/zinc/54/45/03/613544503.db2.gz MGOMWRKANOAKSD-LSDHHAIUSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)CC2CCCCC2)C1 ZINC000972456487 613614059 /nfs/dbraw/zinc/61/40/59/613614059.db2.gz AGMFCVABGHQBKK-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cc(C)oc1C ZINC000968751298 613684078 /nfs/dbraw/zinc/68/40/78/613684078.db2.gz ZWTKSBONORIOTN-OAHLLOKOSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1oc(C)cc1C ZINC000968793619 613687368 /nfs/dbraw/zinc/68/73/68/613687368.db2.gz JFYNRGNJNHQVAO-HNNXBMFYSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)C(C)(C)C2CCCCC2)CC1 ZINC000982120518 613687562 /nfs/dbraw/zinc/68/75/62/613687562.db2.gz NIOVKWXCWNRUKN-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H](C)CC)CC2)C1 ZINC000961330514 613700341 /nfs/dbraw/zinc/70/03/41/613700341.db2.gz KTMSLQUKLVNUOQ-NVXWUHKLSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC000948748033 613704787 /nfs/dbraw/zinc/70/47/87/613704787.db2.gz AYCRBINKCOZHRQ-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)c2ccoc2Cl)CC1 ZINC000948330207 613705724 /nfs/dbraw/zinc/70/57/24/613705724.db2.gz NGGXCRXYGTZZCU-LBPRGKRZSA-N 1 1 296.798 3.046 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)C2(C)C(C)(C)C2(C)C)[C@@H](C)C1 ZINC000945365237 613740677 /nfs/dbraw/zinc/74/06/77/613740677.db2.gz IQJHJXLIWDKHSQ-UONOGXRCSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)C2CCCCCC2)C(C)(C)C1 ZINC000940619902 613741873 /nfs/dbraw/zinc/74/18/73/613741873.db2.gz CQZVCEFJGCODOF-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc3occc3c2)[C@@H](C)C1 ZINC000942073603 613753151 /nfs/dbraw/zinc/75/31/51/613753151.db2.gz QIWAXJGDCVROIA-XJKSGUPXSA-N 1 1 298.386 3.059 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cscc2Cl)C1 ZINC000966888757 613775678 /nfs/dbraw/zinc/77/56/78/613775678.db2.gz ULLIKJSEZTWATH-GXFFZTMASA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C=C)cc2)C[C@H]1C ZINC000947736200 613790045 /nfs/dbraw/zinc/79/00/45/613790045.db2.gz VDDCKHQTXHIDPG-PBHICJAKSA-N 1 1 284.403 3.098 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C(CC)CC)C2)C1 ZINC000961143612 613804752 /nfs/dbraw/zinc/80/47/52/613804752.db2.gz ONWSUHFGCCGQSR-SJORKVTESA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)C2(C)CCC(C)CC2)C(C)(C)C1 ZINC000977641096 613826572 /nfs/dbraw/zinc/82/65/72/613826572.db2.gz ICJBJVKNHNAZIU-CSLYMUCUSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2cc(Cl)cs2)C(C)(C)C1 ZINC000975114842 613828744 /nfs/dbraw/zinc/82/87/44/613828744.db2.gz XBCXQLGXEACIKU-LBPRGKRZSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)c2cc(Cl)cs2)C(C)(C)C1 ZINC000975114842 613828745 /nfs/dbraw/zinc/82/87/45/613828745.db2.gz XBCXQLGXEACIKU-LBPRGKRZSA-N 1 1 298.839 3.028 20 30 CGEDMO C#CC[C@@H](Cc1ccccc1)Nc1cc(C)[nH+]c(C)n1 ZINC000804810089 617849369 /nfs/dbraw/zinc/84/93/69/617849369.db2.gz OQSGCHAXKQEJNF-INIZCTEOSA-N 1 1 265.360 3.140 20 30 CGEDMO C=C(C)c1cccc(NC(=O)C[N@H+](CC)C2CC2)c1 ZINC000890889920 617891594 /nfs/dbraw/zinc/89/15/94/617891594.db2.gz BORNDNPQYAJFNA-UHFFFAOYSA-N 1 1 258.365 3.143 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CCCCC2)C1 ZINC001021504861 618014897 /nfs/dbraw/zinc/01/48/97/618014897.db2.gz GCMJURDDHQGUGQ-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCC2CC2)C1 ZINC001021546100 618032917 /nfs/dbraw/zinc/03/29/17/618032917.db2.gz BSOJOLZKGAJJSF-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(F)=C(C)C)C1 ZINC001021562596 618045663 /nfs/dbraw/zinc/04/56/63/618045663.db2.gz LIUCHCXUJCQAHF-HUUCEWRRSA-N 1 1 294.414 3.139 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(OC)c(Cl)c2)C1 ZINC000847022190 618169409 /nfs/dbraw/zinc/16/94/09/618169409.db2.gz SPQNDTFSIFAYMK-GFCCVEGCSA-N 1 1 263.768 3.194 20 30 CGEDMO CN(C)c1ccc(C[N@@H+](C)Cc2csc(C#N)c2)cc1 ZINC000891396885 618186177 /nfs/dbraw/zinc/18/61/77/618186177.db2.gz GGWMKUGSZNINLK-UHFFFAOYSA-N 1 1 285.416 3.318 20 30 CGEDMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc(C#N)c2)nc1 ZINC000934340988 618602084 /nfs/dbraw/zinc/60/20/84/618602084.db2.gz GCPRDEZRVYZXRC-SFHVURJKSA-N 1 1 293.370 3.299 20 30 CGEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cccc(C#N)c2)nc1 ZINC000934340988 618602094 /nfs/dbraw/zinc/60/20/94/618602094.db2.gz GCPRDEZRVYZXRC-SFHVURJKSA-N 1 1 293.370 3.299 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1[C@H](C)C(=O)Nc1ccccc1SC ZINC000934473541 618628567 /nfs/dbraw/zinc/62/85/67/618628567.db2.gz XBMFXOKBNCDEFG-CHWSQXEVSA-N 1 1 290.432 3.386 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1ccccc1SC ZINC000934473541 618628568 /nfs/dbraw/zinc/62/85/68/618628568.db2.gz XBMFXOKBNCDEFG-CHWSQXEVSA-N 1 1 290.432 3.386 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000934645309 618664179 /nfs/dbraw/zinc/66/41/79/618664179.db2.gz HDJAJWLEDPWTCL-UHFFFAOYSA-N 1 1 296.374 3.396 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000934874959 618707690 /nfs/dbraw/zinc/70/76/90/618707690.db2.gz CPWJXWKSHOTXML-CJNGLKHVSA-N 1 1 287.407 3.324 20 30 CGEDMO C=C[C@@H](C)OC(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC000781578368 618714336 /nfs/dbraw/zinc/71/43/36/618714336.db2.gz ATQYRWINBLYZIW-HIFRSBDPSA-N 1 1 261.365 3.187 20 30 CGEDMO N#Cc1ccc(OCCC[N@H+]2CCC3(CCC3)C2)cc1 ZINC000176935402 618762613 /nfs/dbraw/zinc/76/26/13/618762613.db2.gz KYVFCPFSNDOJOO-UHFFFAOYSA-N 1 1 270.376 3.203 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000091937763 618766625 /nfs/dbraw/zinc/76/66/25/618766625.db2.gz QNEYLQTXMYHCDM-GASCZTMLSA-N 1 1 271.408 3.409 20 30 CGEDMO C=CCCc1noc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000924085079 618919490 /nfs/dbraw/zinc/91/94/90/618919490.db2.gz ZXPSFEVLGKYDFX-GOEBONIOSA-N 1 1 297.402 3.424 20 30 CGEDMO C=CC[C@H]([NH2+]Cc1ccnc(OC)c1F)c1ccncc1 ZINC000892971862 618966922 /nfs/dbraw/zinc/96/69/22/618966922.db2.gz FFFRNEWXKLXEPT-AWEZNQCLSA-N 1 1 287.338 3.031 20 30 CGEDMO Cc1nc(CO[NH+]=C(N)CCc2ccccc2)sc1C ZINC000176123858 618973796 /nfs/dbraw/zinc/97/37/96/618973796.db2.gz MKWPBICLNDQJEC-UHFFFAOYSA-N 1 1 289.404 3.182 20 30 CGEDMO C#CC[C@@H]([NH2+]Cc1c(Cl)c(C)nn1C)c1ccccc1 ZINC000893238626 619038917 /nfs/dbraw/zinc/03/89/17/619038917.db2.gz OCQVOCANZHCSIT-CQSZACIVSA-N 1 1 287.794 3.236 20 30 CGEDMO C#CC[C@H]([NH2+]Cc1ccc(OCCOC)o1)c1ccccc1 ZINC000893239158 619039126 /nfs/dbraw/zinc/03/91/26/619039126.db2.gz PVYVYKDZKISQHR-KRWDZBQOSA-N 1 1 299.370 3.159 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCOC[C@@H]2C2CCC2)CCC1 ZINC000930820432 619079566 /nfs/dbraw/zinc/07/95/66/619079566.db2.gz OYVOBIJSAHVMSX-MRXNPFEDSA-N 1 1 276.424 3.351 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C(C)C)s2)C1 ZINC001009670052 619184619 /nfs/dbraw/zinc/18/46/19/619184619.db2.gz VGNKWYRHTOOITJ-ZDUSSCGKSA-N 1 1 292.448 3.252 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C(C)C)s2)C1 ZINC001009670052 619184621 /nfs/dbraw/zinc/18/46/21/619184621.db2.gz VGNKWYRHTOOITJ-ZDUSSCGKSA-N 1 1 292.448 3.252 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000931754178 619248998 /nfs/dbraw/zinc/24/89/98/619248998.db2.gz ZPCDRPKUCGUACO-WMZOPIPTSA-N 1 1 284.403 3.176 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931911956 619271455 /nfs/dbraw/zinc/27/14/55/619271455.db2.gz UJVWWYPFCGNEDA-JTQLQIEISA-N 1 1 251.267 3.319 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)s1 ZINC000931923530 619281226 /nfs/dbraw/zinc/28/12/26/619281226.db2.gz UAEDTDFUVAPSEC-WMLDXEAASA-N 1 1 280.396 3.393 20 30 CGEDMO Cc1ccc(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1C#N ZINC000925842461 619291347 /nfs/dbraw/zinc/29/13/47/619291347.db2.gz XCWYYXVHQSKQTC-IPMKNSEASA-N 1 1 297.446 3.267 20 30 CGEDMO Cc1cc(F)c(C#N)c(N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000893834546 619320280 /nfs/dbraw/zinc/32/02/80/619320280.db2.gz ZFWJYJLUAAGCOB-PBWFPOADSA-N 1 1 287.382 3.067 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cn(C)nc2C2CCCC2)C1 ZINC000895102512 619729777 /nfs/dbraw/zinc/72/97/77/619729777.db2.gz WUTNCIDHOPFRRE-HNNXBMFYSA-N 1 1 285.435 3.313 20 30 CGEDMO NC(=[NH+]OCCCOCC(F)(F)F)C1CCCCCC1 ZINC000179003900 619734250 /nfs/dbraw/zinc/73/42/50/619734250.db2.gz HHVPALIUHNAEKM-UHFFFAOYSA-N 1 1 296.333 3.215 20 30 CGEDMO COCc1c(C)cc(C)c(C[N@@H+]2CC[C@](C)(C#N)C2)c1C ZINC000895336032 619807370 /nfs/dbraw/zinc/80/73/70/619807370.db2.gz RKZDKLZASIUNCU-GOSISDBHSA-N 1 1 286.419 3.494 20 30 CGEDMO COCc1c(C)cc(C)c(C[N@H+]2CC[C@](C)(C#N)C2)c1C ZINC000895336032 619807373 /nfs/dbraw/zinc/80/73/73/619807373.db2.gz RKZDKLZASIUNCU-GOSISDBHSA-N 1 1 286.419 3.494 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc(O)c(F)c2)CCCCC1 ZINC000895402340 619821249 /nfs/dbraw/zinc/82/12/49/619821249.db2.gz DDZZUASFEYTTOF-UHFFFAOYSA-N 1 1 262.328 3.095 20 30 CGEDMO N#CCCCOc1cccc(C[N@@H+]2CC[C@@H](CF)C2)c1 ZINC000895573803 619852539 /nfs/dbraw/zinc/85/25/39/619852539.db2.gz MVCLWTNUXYFBPD-HNNXBMFYSA-N 1 1 276.355 3.161 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](c3ccc(O)cc3)C2)cs1 ZINC000895667076 619868309 /nfs/dbraw/zinc/86/83/09/619868309.db2.gz YBLYPNGYMVNGPD-CQSZACIVSA-N 1 1 284.384 3.315 20 30 CGEDMO C=C1CC(c2noc([C@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)n2)C1 ZINC000896883409 620084714 /nfs/dbraw/zinc/08/47/14/620084714.db2.gz HGMHGKFXHCRTPJ-TUAOUCFPSA-N 1 1 261.369 3.437 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000897240827 620169107 /nfs/dbraw/zinc/16/91/07/620169107.db2.gz RLFPVKAJUIZAJV-MSOLQXFVSA-N 1 1 298.430 3.294 20 30 CGEDMO CC(=NNC1CCCC1)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000751527552 620188872 /nfs/dbraw/zinc/18/88/72/620188872.db2.gz ZIJXSESVWYIXDE-UHFFFAOYSA-N 1 1 282.391 3.437 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)C[C@@H]2CCC[C@@H]2C)CC1 ZINC000985452578 620192075 /nfs/dbraw/zinc/19/20/75/620192075.db2.gz KJSCZFRPRYXAON-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC([N@@H+](C)CCC3CC3)CC2)C1 ZINC000985635990 620223987 /nfs/dbraw/zinc/22/39/87/620223987.db2.gz HLQZUVPNSDHZJC-UHFFFAOYSA-N 1 1 290.451 3.066 20 30 CGEDMO C[C@@H](c1ccncc1)[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC000179138720 620348334 /nfs/dbraw/zinc/34/83/34/620348334.db2.gz BBIIHIFDYVPBBI-HNNXBMFYSA-N 1 1 295.386 3.415 20 30 CGEDMO C[C@H](c1ccccn1)[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC000179146532 620349829 /nfs/dbraw/zinc/34/98/29/620349829.db2.gz IWNFFERDDINETC-OAHLLOKOSA-N 1 1 295.386 3.415 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1C[C@H](O)c1c(F)cccc1F ZINC000785997436 620393802 /nfs/dbraw/zinc/39/38/02/620393802.db2.gz OHBHGWOMKHDODY-RISCZKNCSA-N 1 1 267.319 3.039 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H](O)c1c(F)cccc1F ZINC000785997436 620393804 /nfs/dbraw/zinc/39/38/04/620393804.db2.gz OHBHGWOMKHDODY-RISCZKNCSA-N 1 1 267.319 3.039 20 30 CGEDMO N#Cc1ccc([C@@H]2C[N@@H+](C[C@H]3CC=CCC3)CCO2)cc1 ZINC000897590752 620405505 /nfs/dbraw/zinc/40/55/05/620405505.db2.gz AFLGLYCDRZJPEZ-WMZOPIPTSA-N 1 1 282.387 3.288 20 30 CGEDMO C=CC[N@H+]1CCCN(C(=O)[C@@H](F)CC2CCCCC2)CC1 ZINC000989488029 620514664 /nfs/dbraw/zinc/51/46/64/620514664.db2.gz LIZXLKLPWHXKIO-INIZCTEOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)[C@@H](F)CC2CCCCC2)CC1 ZINC000989488029 620514666 /nfs/dbraw/zinc/51/46/66/620514666.db2.gz LIZXLKLPWHXKIO-INIZCTEOSA-N 1 1 296.430 3.015 20 30 CGEDMO C[N@@H+](CCSc1ccncc1)Cc1cccc(C#N)c1 ZINC000929162140 620517987 /nfs/dbraw/zinc/51/79/87/620517987.db2.gz IJGUOJOXTWMQGB-UHFFFAOYSA-N 1 1 283.400 3.177 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)c2ccc(C)c(C)c2)CC1 ZINC000989597618 620518501 /nfs/dbraw/zinc/51/85/01/620518501.db2.gz GWXBPXIBHYZKPJ-UHFFFAOYSA-N 1 1 286.419 3.027 20 30 CGEDMO C=CC[N@H+]1CCCN(C(=O)c2cc3cccc(C)c3o2)CC1 ZINC000989746895 620522808 /nfs/dbraw/zinc/52/28/08/620522808.db2.gz DRHMMIVODQUYPQ-UHFFFAOYSA-N 1 1 298.386 3.075 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)c2cc3cccc(C)c3o2)CC1 ZINC000989746895 620522812 /nfs/dbraw/zinc/52/28/12/620522812.db2.gz DRHMMIVODQUYPQ-UHFFFAOYSA-N 1 1 298.386 3.075 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)C3CCCC3)CCC[C@H]12 ZINC000989897451 620529959 /nfs/dbraw/zinc/52/99/59/620529959.db2.gz TUKNHFOPCJEVBY-HOCLYGCPSA-N 1 1 296.842 3.042 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)C3CCCC3)CCC[C@H]12 ZINC000989897451 620529963 /nfs/dbraw/zinc/52/99/63/620529963.db2.gz TUKNHFOPCJEVBY-HOCLYGCPSA-N 1 1 296.842 3.042 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)c3ccccc3C)CCC[C@@H]12 ZINC000989923434 620531806 /nfs/dbraw/zinc/53/18/06/620531806.db2.gz WZTKQCIYGHQHRG-IEBWSBKVSA-N 1 1 298.430 3.298 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)c3cccc(C)c3)CCC[C@@H]12 ZINC000989929640 620532046 /nfs/dbraw/zinc/53/20/46/620532046.db2.gz XSURSTBLJMSRMP-MJGOQNOKSA-N 1 1 298.430 3.298 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)C3CC(C)(C)C3)CCC[C@@H]12 ZINC000990539280 620553366 /nfs/dbraw/zinc/55/33/66/620553366.db2.gz CAFJGMSFDCRLOW-QAPCUYQASA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CCC)s2)C1 ZINC001014588976 620554670 /nfs/dbraw/zinc/55/46/70/620554670.db2.gz TWLVISJFIYSVSB-CYBMUJFWSA-N 1 1 292.448 3.081 20 30 CGEDMO C[C@@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1cccc(C#N)c1 ZINC000927107647 620577219 /nfs/dbraw/zinc/57/72/19/620577219.db2.gz HJNRGAGIDREMMG-GFCCVEGCSA-N 1 1 280.375 3.020 20 30 CGEDMO C[N@@H+](CCCNCc1csc(C#N)c1)C1CCCCC1 ZINC000921500470 625446407 /nfs/dbraw/zinc/44/64/07/625446407.db2.gz CYNVFKCMHKCDIH-UHFFFAOYSA-N 1 1 291.464 3.364 20 30 CGEDMO CC[C@@H]([NH2+]Cc1ncnn1C(C)(C)C)c1cccc(C#N)c1 ZINC000902981912 621511331 /nfs/dbraw/zinc/51/13/31/621511331.db2.gz SCPMQCUXWGYMDJ-OAHLLOKOSA-N 1 1 297.406 3.146 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc2c(n1)CCCC2)c1cc(C#N)ccn1 ZINC000902973128 621517498 /nfs/dbraw/zinc/51/74/98/621517498.db2.gz ONAYTKYWSPBXNN-ZDUSSCGKSA-N 1 1 292.386 3.078 20 30 CGEDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(C#N)CCC1 ZINC000903032427 621535554 /nfs/dbraw/zinc/53/55/54/621535554.db2.gz SQBFRGITOSPLJD-GFCCVEGCSA-N 1 1 273.336 3.248 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CCC1)c1cc(-c2ccccc2)nn1C ZINC000903035716 621537179 /nfs/dbraw/zinc/53/71/79/621537179.db2.gz TXTUBQHHJIFYOH-CQSZACIVSA-N 1 1 294.402 3.432 20 30 CGEDMO N#CC1(C[NH2+][C@@H](c2ccccn2)C2CC2)CCCC1 ZINC000903218345 621632934 /nfs/dbraw/zinc/63/29/34/621632934.db2.gz BDUIMAKWCFXOMT-OAHLLOKOSA-N 1 1 255.365 3.206 20 30 CGEDMO CC[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(C#N)cc1 ZINC000903262093 621647654 /nfs/dbraw/zinc/64/76/54/621647654.db2.gz AIEWFTUNYWNQAP-AWEZNQCLSA-N 1 1 282.372 3.127 20 30 CGEDMO C[C@@H]([NH2+][C@@H](C)c1cncs1)c1cccc(C#N)c1O ZINC000903304719 621679322 /nfs/dbraw/zinc/67/93/22/621679322.db2.gz CPIKPYKUVBQBSD-ZJUUUORDSA-N 1 1 273.361 3.132 20 30 CGEDMO C=CCCc1noc([C@@H]([NH3+])Cc2cc3ccccc3o2)n1 ZINC000904123852 621874067 /nfs/dbraw/zinc/87/40/67/621874067.db2.gz RQEJONROJNNOJE-ZDUSSCGKSA-N 1 1 283.331 3.177 20 30 CGEDMO C=CC[C@H](Cc1ccccc1)n1cc(C[N@@H+](C)C(C)C)nn1 ZINC000905057256 622034867 /nfs/dbraw/zinc/03/48/67/622034867.db2.gz NUXNMGLPUIYFRA-GOSISDBHSA-N 1 1 298.434 3.478 20 30 CGEDMO C=CC[C@H](Cc1ccccc1)n1cc(C[N@H+](C)C(C)C)nn1 ZINC000905057256 622034869 /nfs/dbraw/zinc/03/48/69/622034869.db2.gz NUXNMGLPUIYFRA-GOSISDBHSA-N 1 1 298.434 3.478 20 30 CGEDMO Cc1c2cc(C#N)ccc2sc1-c1nc(C2([NH3+])CC2)no1 ZINC000905325034 622059764 /nfs/dbraw/zinc/05/97/64/622059764.db2.gz NHWKPCMPIZOADZ-UHFFFAOYSA-N 1 1 296.355 3.079 20 30 CGEDMO Cc1ccc(NCc2c(C)cc(C#N)cc2C)[nH+]c1 ZINC000905407049 622067752 /nfs/dbraw/zinc/06/77/52/622067752.db2.gz SZHJGHOALJZWGU-UHFFFAOYSA-N 1 1 251.333 3.491 20 30 CGEDMO Cc1cccc([C@@H](O)C[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000905904553 622122677 /nfs/dbraw/zinc/12/26/77/622122677.db2.gz LXOXVEPPNURDHE-SFHVURJKSA-N 1 1 280.371 3.032 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccc(OC)c(O[C@@H](C)CC)c1 ZINC000769108015 625558301 /nfs/dbraw/zinc/55/83/01/625558301.db2.gz WTUOVOJYDMZVIB-AWEZNQCLSA-N 1 1 275.392 3.328 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2C[C@H](C)C[C@H]2C)cc1 ZINC000769471265 625570430 /nfs/dbraw/zinc/57/04/30/625570430.db2.gz RPKOTJNYOPGUIJ-HUUCEWRRSA-N 1 1 257.377 3.319 20 30 CGEDMO COc1cc(C)cc(C[N@@H+](C)Cc2ccc(C#N)cc2)c1O ZINC000163969920 622810826 /nfs/dbraw/zinc/81/08/26/622810826.db2.gz NHTNRWPGWBEWHO-UHFFFAOYSA-N 1 1 296.370 3.213 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@H+]2CCC[C@@H]2C)c1O ZINC000164431490 622834488 /nfs/dbraw/zinc/83/44/88/622834488.db2.gz FAAQAZVBTQARRW-LBPRGKRZSA-N 1 1 261.365 3.114 20 30 CGEDMO Cc1noc(C)c1CO[NH+]=C(N)CCCc1ccccc1 ZINC000057858504 622889814 /nfs/dbraw/zinc/88/98/14/622889814.db2.gz FPVIWMPJDBGXAT-UHFFFAOYSA-N 1 1 287.363 3.103 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)C[C@@H]1CCC2(CCCC2)O1 ZINC000229315785 623122881 /nfs/dbraw/zinc/12/28/81/623122881.db2.gz LNWCNBJLHZZASV-HNNXBMFYSA-N 1 1 264.413 3.350 20 30 CGEDMO C=CC[N@H+](C[C@H](O)CCC1(O)CCC1)CC1CCCCC1 ZINC000929624254 623484763 /nfs/dbraw/zinc/48/47/63/623484763.db2.gz JBAHMECCVOLWMS-QGZVFWFLSA-N 1 1 295.467 3.111 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2CCC3(CC3)CC2)C1 ZINC001015304211 623693447 /nfs/dbraw/zinc/69/34/47/623693447.db2.gz DJOYTVJEDAPCPG-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C[NH+]1CCC[C@@H]2C[N@@H+](CCCCC3(C#N)CCC3)CC[C@@H]21 ZINC000929848775 623860096 /nfs/dbraw/zinc/86/00/96/623860096.db2.gz UFPZIPWQNPLVNF-SJORKVTESA-N 1 1 289.467 3.267 20 30 CGEDMO C[N@@H+]1CCC[C@@H]2CN(CCCCC3(C#N)CCC3)CC[C@@H]21 ZINC000929848775 623860099 /nfs/dbraw/zinc/86/00/99/623860099.db2.gz UFPZIPWQNPLVNF-SJORKVTESA-N 1 1 289.467 3.267 20 30 CGEDMO C[N@H+]1CCC[C@@H]2CN(CCCCC3(C#N)CCC3)CC[C@@H]21 ZINC000929848775 623860101 /nfs/dbraw/zinc/86/01/01/623860101.db2.gz UFPZIPWQNPLVNF-SJORKVTESA-N 1 1 289.467 3.267 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)CC2=CCCCC2)[C@@H]1C ZINC000993164216 623886623 /nfs/dbraw/zinc/88/66/23/623886623.db2.gz ZMOPLVFIZSNLJM-RDJZCZTQSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2c(C)cccc2Cl)C1 ZINC001015654998 624040250 /nfs/dbraw/zinc/04/02/50/624040250.db2.gz JSIISAQGSAHOEB-ZDUSSCGKSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2occc2C(C)C)[C@@H]1C ZINC000993736329 624060271 /nfs/dbraw/zinc/06/02/71/624060271.db2.gz AZLHBEPUCSIBIC-ZFWWWQNUSA-N 1 1 290.407 3.172 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C2(C)CC(=C)C2)[C@H]1C ZINC000993793480 624062510 /nfs/dbraw/zinc/06/25/10/624062510.db2.gz UJDUPPUZNBYVQU-CVEARBPZSA-N 1 1 290.451 3.278 20 30 CGEDMO CCCCNN=Cc1ccc(C=[NH+]NCCCC)cc1 ZINC000915966258 624082200 /nfs/dbraw/zinc/08/22/00/624082200.db2.gz NYIFYSZAMRTIQS-UHFFFAOYSA-N 1 1 274.412 3.134 20 30 CGEDMO CC(=[NH+]NCc1cc(F)ccc1F)c1ccc(N)cc1 ZINC000915979462 624088361 /nfs/dbraw/zinc/08/83/61/624088361.db2.gz UKPTWSPVHQFIRI-UHFFFAOYSA-N 1 1 275.302 3.061 20 30 CGEDMO C=CC[N@@H+](Cc1nc(-c2ccc(OC)cc2)no1)C(C)C ZINC000917070539 624233987 /nfs/dbraw/zinc/23/39/87/624233987.db2.gz DPTXDHXRTZBXFN-UHFFFAOYSA-N 1 1 287.363 3.142 20 30 CGEDMO C=CC[N@H+](Cc1nc(-c2ccc(OC)cc2)no1)C(C)C ZINC000917070539 624233989 /nfs/dbraw/zinc/23/39/89/624233989.db2.gz DPTXDHXRTZBXFN-UHFFFAOYSA-N 1 1 287.363 3.142 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1ccc(C)c(Cl)c1)C(C)C ZINC000917166876 624248450 /nfs/dbraw/zinc/24/84/50/624248450.db2.gz KXPJOYBPQMTWKX-UHFFFAOYSA-N 1 1 280.799 3.483 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1ccc(C)c(Cl)c1)C(C)C ZINC000917166876 624248455 /nfs/dbraw/zinc/24/84/55/624248455.db2.gz KXPJOYBPQMTWKX-UHFFFAOYSA-N 1 1 280.799 3.483 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccccc1O ZINC000179564059 624666202 /nfs/dbraw/zinc/66/62/02/624666202.db2.gz BGESJHNQBOCXFE-UHFFFAOYSA-N 1 1 269.319 3.167 20 30 CGEDMO CC(C)CC[N@@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000180046888 624707559 /nfs/dbraw/zinc/70/75/59/624707559.db2.gz IVRYRYPKEMGJMV-AWEZNQCLSA-N 1 1 260.381 3.455 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C)c2Cl)C1 ZINC001015870467 625157818 /nfs/dbraw/zinc/15/78/18/625157818.db2.gz JRSUMKPVWVERED-CYBMUJFWSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2ccoc2)CC1 ZINC000997913992 625767606 /nfs/dbraw/zinc/76/76/06/625767606.db2.gz LPKPQBUZDAZARQ-MRXNPFEDSA-N 1 1 290.407 3.172 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC=CCC2)CC1 ZINC000997917515 625769032 /nfs/dbraw/zinc/76/90/32/625769032.db2.gz WOPBYESRAUDWOP-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC2(C)C)CC1 ZINC000997963656 625777168 /nfs/dbraw/zinc/77/71/68/625777168.db2.gz BHMIFBZOCFACJX-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO Cc1ccc2c(c1C)OC[C@H]2[NH2+]Cc1csc(C#N)c1 ZINC000921695747 625847067 /nfs/dbraw/zinc/84/70/67/625847067.db2.gz WBCSYGIFHDNKCJ-OAHLLOKOSA-N 1 1 284.384 3.460 20 30 CGEDMO Cc1cnc(C[NH2+]Cc2c(C)cc(C#N)cc2C)s1 ZINC000921786713 625875632 /nfs/dbraw/zinc/87/56/32/625875632.db2.gz DMMWCSUYOKPKTF-UHFFFAOYSA-N 1 1 271.389 3.230 20 30 CGEDMO CC[C@@H]([NH2+]Cc1csc(C#N)c1)c1c(C)noc1C ZINC000921934941 625934990 /nfs/dbraw/zinc/93/49/90/625934990.db2.gz IDMFIOCJGUDKDK-CYBMUJFWSA-N 1 1 275.377 3.466 20 30 CGEDMO COCC[C@H]([NH2+]Cc1csc(C#N)c1)c1ccc(C)o1 ZINC000921973167 625949494 /nfs/dbraw/zinc/94/94/94/625949494.db2.gz FRMAZHXZAZNAON-AWEZNQCLSA-N 1 1 290.388 3.389 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cncc(C#N)c2)[C@@H]2CCCC[C@H]12 ZINC000929259532 625955971 /nfs/dbraw/zinc/95/59/71/625955971.db2.gz GAAMXJDOVGLWTO-KBRIMQKVSA-N 1 1 269.392 3.354 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C)C(C)C)CC1 ZINC001004570499 626065790 /nfs/dbraw/zinc/06/57/90/626065790.db2.gz TZBOZBHEGMHDNP-RDJZCZTQSA-N 1 1 292.467 3.168 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1cc(C2CC2)n(C)n1 ZINC000922956688 626107787 /nfs/dbraw/zinc/10/77/87/626107787.db2.gz ZUQJIKHKMFJLPA-UHFFFAOYSA-N 1 1 294.402 3.076 20 30 CGEDMO C=CC[N@H+](Cc1nc2ccc(Cl)cc2c(=O)[nH]1)C(C)C ZINC000839466770 626354551 /nfs/dbraw/zinc/35/45/51/626354551.db2.gz HDDIDBSJTUNYFO-UHFFFAOYSA-N 1 1 291.782 3.385 20 30 CGEDMO C=CC[N@@H+](Cc1nc2ccc(Cl)cc2c(=O)[nH]1)C(C)C ZINC000839466770 626354553 /nfs/dbraw/zinc/35/45/53/626354553.db2.gz HDDIDBSJTUNYFO-UHFFFAOYSA-N 1 1 291.782 3.385 20 30 CGEDMO C=CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)C ZINC000751468151 626392208 /nfs/dbraw/zinc/39/22/08/626392208.db2.gz DICKVWNRAXDTBM-UHFFFAOYSA-N 1 1 275.308 3.132 20 30 CGEDMO CC[C@H]1CCCC1=[NH+]n1cc(Br)cn1 ZINC000752748339 626437589 /nfs/dbraw/zinc/43/75/89/626437589.db2.gz WADBRESYLYZVML-QMMMGPOBSA-N 1 1 256.147 3.060 20 30 CGEDMO Cc1cc(C)cc(N=NC2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000753955648 626469993 /nfs/dbraw/zinc/46/99/93/626469993.db2.gz PGSCIPJCJNDCMX-CYBMUJFWSA-N 1 1 257.381 3.328 20 30 CGEDMO CCCCCCCCCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000755531577 626628458 /nfs/dbraw/zinc/62/84/58/626628458.db2.gz YQINZLUQFGWVNQ-HNNXBMFYSA-N 1 1 268.445 3.195 20 30 CGEDMO C[C@H]1C[N@H+](C2CC2)CC1N=Nc1ccc(Cl)c(F)c1 ZINC000755891510 626656993 /nfs/dbraw/zinc/65/69/93/626656993.db2.gz HYVNDFXHGOMGJF-VIFPVBQESA-N 1 1 281.762 3.361 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)CC/C=C\c1ccccc1 ZINC000756552875 626714793 /nfs/dbraw/zinc/71/47/93/626714793.db2.gz LNXMIVMXGOWQRB-SNMSSPIJSA-N 1 1 297.398 3.121 20 30 CGEDMO CC1=CC[N@H+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000756632552 626722194 /nfs/dbraw/zinc/72/21/94/626722194.db2.gz KAZXJOCKONVIBU-UHFFFAOYSA-N 1 1 276.767 3.394 20 30 CGEDMO CC1=CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)CC1 ZINC000756632552 626722195 /nfs/dbraw/zinc/72/21/95/626722195.db2.gz KAZXJOCKONVIBU-UHFFFAOYSA-N 1 1 276.767 3.394 20 30 CGEDMO Cc1[nH+]c(C=NNCc2cccc(Cl)c2)c2ccccn12 ZINC000756832353 626735939 /nfs/dbraw/zinc/73/59/39/626735939.db2.gz RXLRLOKWZQGKIT-UHFFFAOYSA-N 1 1 298.777 3.420 20 30 CGEDMO COc1cccc(O)c1/C=N\[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000756841240 626736715 /nfs/dbraw/zinc/73/67/15/626736715.db2.gz TWKCGNAFEVVJCQ-WSLMLHKMSA-N 1 1 296.370 3.006 20 30 CGEDMO COc1cccc(O)c1/C=N\[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000756841240 626736716 /nfs/dbraw/zinc/73/67/16/626736716.db2.gz TWKCGNAFEVVJCQ-WSLMLHKMSA-N 1 1 296.370 3.006 20 30 CGEDMO CC[N@H+](Cc1occc1C)C[C@H](O)c1ccc(C#N)cc1 ZINC000839661621 626772240 /nfs/dbraw/zinc/77/22/40/626772240.db2.gz PJAKOTPIQXNITC-INIZCTEOSA-N 1 1 284.359 3.015 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC000839679649 626778186 /nfs/dbraw/zinc/77/81/86/626778186.db2.gz OPLKPAKEXGSAPN-INIZCTEOSA-N 1 1 280.412 3.038 20 30 CGEDMO Cc1ccnc(N=NC2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000757584061 626790812 /nfs/dbraw/zinc/79/08/12/626790812.db2.gz KGBRTSWCSIFJDI-OAHLLOKOSA-N 1 1 294.402 3.452 20 30 CGEDMO C=CC[N@H+](CC1CCCCC1)Cn1ccc(C)c(C#N)c1=O ZINC000758228379 626833913 /nfs/dbraw/zinc/83/39/13/626833913.db2.gz ZGIONSIBIBHPBJ-UHFFFAOYSA-N 1 1 299.418 3.054 20 30 CGEDMO C=CC[N@@H+](CC1CCCCC1)Cn1ccc(C)c(C#N)c1=O ZINC000758228379 626833916 /nfs/dbraw/zinc/83/39/16/626833916.db2.gz ZGIONSIBIBHPBJ-UHFFFAOYSA-N 1 1 299.418 3.054 20 30 CGEDMO CCCCCCCCNc1cc[nH+]c(N2CCOCC2)n1 ZINC000758898078 626864723 /nfs/dbraw/zinc/86/47/23/626864723.db2.gz GEHZEIDHHZEWJM-UHFFFAOYSA-N 1 1 292.427 3.086 20 30 CGEDMO C#CCC[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000760821890 626994334 /nfs/dbraw/zinc/99/43/34/626994334.db2.gz WADNXSDAGWEPGD-DTORHVGOSA-N 1 1 273.220 3.072 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000760844176 626995766 /nfs/dbraw/zinc/99/57/66/626995766.db2.gz JZJYUBBXYLCMJP-KRWDZBQOSA-N 1 1 289.419 3.464 20 30 CGEDMO C#CCOCC[N@H+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000761108290 627017371 /nfs/dbraw/zinc/01/73/71/627017371.db2.gz JZMXHHRRBZADGY-LBPRGKRZSA-N 1 1 285.309 3.348 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(C)(C)NC(=O)OC(C)(C)C ZINC000761185818 627023397 /nfs/dbraw/zinc/02/33/97/627023397.db2.gz ZNNYJXIIKUTSEY-UHFFFAOYSA-N 1 1 270.417 3.188 20 30 CGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CC[C@@H]2c2cccc(F)c2)cc1 ZINC000763413257 627157005 /nfs/dbraw/zinc/15/70/05/627157005.db2.gz IVEMVQHRCSOJEY-MSOLQXFVSA-N 1 1 296.345 3.178 20 30 CGEDMO C[C@H]1C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)Cc2ccccc21 ZINC000763475339 627159804 /nfs/dbraw/zinc/15/98/04/627159804.db2.gz HFIMZYXLGJDNEN-LIRRHRJNSA-N 1 1 292.382 3.211 20 30 CGEDMO C#CC[N@H+](Cc1cccc(Br)c1C)C1CC1 ZINC000763950171 627186492 /nfs/dbraw/zinc/18/64/92/627186492.db2.gz SLYURQGPMMRLGP-UHFFFAOYSA-N 1 1 278.193 3.355 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OCCCC)c(OC)c1)C1CC1 ZINC000764676729 627217572 /nfs/dbraw/zinc/21/75/72/627217572.db2.gz NSBXKLNPZBEIFE-UHFFFAOYSA-N 1 1 287.403 3.472 20 30 CGEDMO CC[N@H+]1CCC(=NNCc2cnc3ccccc3c2)[C@H](C)C1 ZINC000764779711 627223295 /nfs/dbraw/zinc/22/32/95/627223295.db2.gz STULQEZEZAWBDA-CQSZACIVSA-N 1 1 296.418 3.042 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC1=NOCC(F)(F)F ZINC000764844746 627229270 /nfs/dbraw/zinc/22/92/70/627229270.db2.gz NANRVIHQUXZBHP-LLVKDONJSA-N 1 1 286.297 3.073 20 30 CGEDMO CC#CCC[N@@H+](C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC000764976577 627234962 /nfs/dbraw/zinc/23/49/62/627234962.db2.gz YPJWOYFSCAOEEW-HNNXBMFYSA-N 1 1 296.455 3.271 20 30 CGEDMO CC(C)c1[nH+]c(/C=C\C(=O)c2ccnn2C)c2ccccn21 ZINC000766034103 627289578 /nfs/dbraw/zinc/28/95/78/627289578.db2.gz NOCIJTCIXQFEDK-FPLPWBNLSA-N 1 1 294.358 3.087 20 30 CGEDMO C#CCCC[N@H+](C)CCOc1cccc(Cl)c1 ZINC000766895791 627367653 /nfs/dbraw/zinc/36/76/53/627367653.db2.gz ICHKPWRIJXGHAT-UHFFFAOYSA-N 1 1 251.757 3.064 20 30 CGEDMO C#CCCC[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000766895627 627367767 /nfs/dbraw/zinc/36/77/67/627367767.db2.gz NUSYQRCLTFRDJB-QGZVFWFLSA-N 1 1 275.367 3.220 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@H](Cc2ccc(OC)cc2)C1 ZINC000766902098 627369133 /nfs/dbraw/zinc/36/91/33/627369133.db2.gz CVQKUTHUJCMGSY-QGZVFWFLSA-N 1 1 271.404 3.363 20 30 CGEDMO C#CCCC[N@H+](C)C[C@H](C)Cc1ccc(OC)cc1 ZINC000766942186 627372693 /nfs/dbraw/zinc/37/26/93/627372693.db2.gz TVIQOHVDIPPYOE-OAHLLOKOSA-N 1 1 259.393 3.219 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000768143784 627463044 /nfs/dbraw/zinc/46/30/44/627463044.db2.gz OCASWJUSRKSDLV-HNNXBMFYSA-N 1 1 257.377 3.463 20 30 CGEDMO CC[N@H+](CCC#N)Cc1sc2nc(C)nc(C)c2c1C ZINC000768246569 627470785 /nfs/dbraw/zinc/47/07/85/627470785.db2.gz YJZJWMXNBSHSTP-UHFFFAOYSA-N 1 1 288.420 3.352 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1sc2nc(C)nc(C)c2c1C ZINC000768246569 627470788 /nfs/dbraw/zinc/47/07/88/627470788.db2.gz YJZJWMXNBSHSTP-UHFFFAOYSA-N 1 1 288.420 3.352 20 30 CGEDMO C#CCCOc1ccc(C[N@H+](CC=C)C(C)C)cc1 ZINC000768547436 627486006 /nfs/dbraw/zinc/48/60/06/627486006.db2.gz MNDNUFYCDAPSNG-UHFFFAOYSA-N 1 1 257.377 3.485 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+](CCOC)CC(C)C)cc1 ZINC000768588521 627487850 /nfs/dbraw/zinc/48/78/50/627487850.db2.gz QRHDTAQTJVTZDC-UHFFFAOYSA-N 1 1 289.419 3.193 20 30 CGEDMO C#CCC[N@@H+]1CC=C(c2ccc(OCC)cc2)CC1 ZINC000768772211 627497894 /nfs/dbraw/zinc/49/78/94/627497894.db2.gz PURVGLYXMQNAJB-UHFFFAOYSA-N 1 1 255.361 3.198 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccc(C)c(Br)c1 ZINC000769111382 627523229 /nfs/dbraw/zinc/52/32/29/627523229.db2.gz NNTMBVXBTLFRAC-UHFFFAOYSA-N 1 1 266.182 3.213 20 30 CGEDMO C#CC[N@@H+](CC)Cc1cccc(OCC)c1OCCC ZINC000769110870 627523282 /nfs/dbraw/zinc/52/32/82/627523282.db2.gz JKIWNZRRANNTGG-UHFFFAOYSA-N 1 1 275.392 3.329 20 30 CGEDMO C#CC[N@H+](CC)Cc1cccc(OCC)c1OCCC ZINC000769110870 627523284 /nfs/dbraw/zinc/52/32/84/627523284.db2.gz JKIWNZRRANNTGG-UHFFFAOYSA-N 1 1 275.392 3.329 20 30 CGEDMO C#CC[N@H+](Cc1cnc2c(C)cccn12)C1CCCCC1 ZINC000769145198 627526241 /nfs/dbraw/zinc/52/62/41/627526241.db2.gz DXBBRESQCIPGHW-UHFFFAOYSA-N 1 1 281.403 3.411 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2C[C@H](C)C[C@H]2C)cc1 ZINC000769470655 627557368 /nfs/dbraw/zinc/55/73/68/627557368.db2.gz NENZYNZUMBLKIF-MCIONIFRSA-N 1 1 258.365 3.208 20 30 CGEDMO CCCCCCCC(=O)N[C@H]1CCC[N@H+](C(C)C)C1 ZINC000769663007 627571903 /nfs/dbraw/zinc/57/19/03/627571903.db2.gz SDTYPNFQTVNZKD-HNNXBMFYSA-N 1 1 268.445 3.336 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CC[C@H](C)[C@@H]2C)cc1 ZINC000770282058 627611300 /nfs/dbraw/zinc/61/13/00/627611300.db2.gz CTJOEAQYGBQSPL-GJZGRUSLSA-N 1 1 257.377 3.319 20 30 CGEDMO CC(C)CNN=C1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000771563091 627719920 /nfs/dbraw/zinc/71/99/20/627719920.db2.gz XATCBMLTMGHYGW-HNNXBMFYSA-N 1 1 273.424 3.130 20 30 CGEDMO C#CC[N@H+](CCCN(CC)CC(F)(F)F)C1CCCC1 ZINC000771761842 627730730 /nfs/dbraw/zinc/73/07/30/627730730.db2.gz DIMAFCMWEIWFRR-UHFFFAOYSA-N 1 1 290.373 3.139 20 30 CGEDMO C=CC[N@H+](C[C@H](O)c1ccc(Cl)cc1)C1CC1 ZINC000772383414 627788007 /nfs/dbraw/zinc/78/80/07/627788007.db2.gz WFPIMXGHEVTYNG-AWEZNQCLSA-N 1 1 251.757 3.024 20 30 CGEDMO C=C(CC)COC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000773499246 627891056 /nfs/dbraw/zinc/89/10/56/627891056.db2.gz OYPBRTSATBIWAY-UHFFFAOYSA-N 1 1 288.391 3.116 20 30 CGEDMO C=C(CC)COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000773518371 627893523 /nfs/dbraw/zinc/89/35/23/627893523.db2.gz JYMAJFDXMNFYKZ-INIZCTEOSA-N 1 1 273.376 3.160 20 30 CGEDMO C=C(CC)COC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000773518371 627893525 /nfs/dbraw/zinc/89/35/25/627893525.db2.gz JYMAJFDXMNFYKZ-INIZCTEOSA-N 1 1 273.376 3.160 20 30 CGEDMO C#CCOCC[N@@H+](C)Cc1cccc(Cl)c1Cl ZINC000773821142 627917271 /nfs/dbraw/zinc/91/72/71/627917271.db2.gz RCCJIHQAVSZXMY-UHFFFAOYSA-N 1 1 272.175 3.075 20 30 CGEDMO C#CCOCC[N@H+](C)Cc1cccc(Cl)c1Cl ZINC000773821142 627917278 /nfs/dbraw/zinc/91/72/78/627917278.db2.gz RCCJIHQAVSZXMY-UHFFFAOYSA-N 1 1 272.175 3.075 20 30 CGEDMO CC[C@H](NCC[N@@H+]1CCC[C@H]1C)c1ccc(C#N)cc1 ZINC000774207049 627963560 /nfs/dbraw/zinc/96/35/60/627963560.db2.gz FQMNHLUADMHLSI-PBHICJAKSA-N 1 1 271.408 3.083 20 30 CGEDMO CC[C@H](NCC[N@H+]1CCC[C@H]1C)c1ccc(C#N)cc1 ZINC000774207049 627963562 /nfs/dbraw/zinc/96/35/62/627963562.db2.gz FQMNHLUADMHLSI-PBHICJAKSA-N 1 1 271.408 3.083 20 30 CGEDMO Cc1cc([C@@H](C)[NH2+]Cc2ccc(C#N)cn2)c(C)o1 ZINC000774369076 627982400 /nfs/dbraw/zinc/98/24/00/627982400.db2.gz KAVMBTVTZZBFRS-LLVKDONJSA-N 1 1 255.321 3.014 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1c(OC)ccc2ccccc21 ZINC000775182490 628069568 /nfs/dbraw/zinc/06/95/68/628069568.db2.gz ACGHTNDUBAOPRQ-ZDUSSCGKSA-N 1 1 253.345 3.302 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(OC)c(O[C@@H](C)CC)c1 ZINC000775178340 628070089 /nfs/dbraw/zinc/07/00/89/628070089.db2.gz HEGKWKGYVRHAPI-KBPBESRZSA-N 1 1 275.392 3.326 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000775179638 628070129 /nfs/dbraw/zinc/07/01/29/628070129.db2.gz OKEZEJGMJFVDIU-CYBMUJFWSA-N 1 1 287.794 3.038 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000775179638 628070132 /nfs/dbraw/zinc/07/01/32/628070132.db2.gz OKEZEJGMJFVDIU-CYBMUJFWSA-N 1 1 287.794 3.038 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(-c2ccccc2C(=O)OC)o1 ZINC000775183555 628071044 /nfs/dbraw/zinc/07/10/44/628071044.db2.gz ONEGJVSWLMPDAQ-ZDUSSCGKSA-N 1 1 297.354 3.187 20 30 CGEDMO C#C[C@H]([NH2+][C@H](C)c1ccccc1Cl)[C@H]1CCCO1 ZINC000775571839 628109035 /nfs/dbraw/zinc/10/90/35/628109035.db2.gz LQSYSFXWVBHKCN-BYCMXARLSA-N 1 1 263.768 3.171 20 30 CGEDMO CCCCCCCC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000874846517 634631134 /nfs/dbraw/zinc/63/11/34/634631134.db2.gz KDGQRFNSBOHCQT-GJZGRUSLSA-N 1 1 266.429 3.042 20 30 CGEDMO CC(C)C[N@@H+](C[C@@H](O)c1ccc(F)cc1)CC1(C#N)CC1 ZINC000775974779 628155122 /nfs/dbraw/zinc/15/51/22/628155122.db2.gz FAVJZZHLDDPEMK-MRXNPFEDSA-N 1 1 290.382 3.121 20 30 CGEDMO CCC#C[C@H](C)[NH+]1CCC(O)(c2c(F)cccc2F)CC1 ZINC000778236834 628336084 /nfs/dbraw/zinc/33/60/84/628336084.db2.gz XQRAIPDMJQFSCN-ZDUSSCGKSA-N 1 1 293.357 3.050 20 30 CGEDMO CC(=NNc1cc[nH+]cc1)c1ccc2ccccc2c1O ZINC000779808517 628433451 /nfs/dbraw/zinc/43/34/51/628433451.db2.gz KYZROBUQSZGOGF-UHFFFAOYSA-N 1 1 277.327 3.198 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000780375840 628485430 /nfs/dbraw/zinc/48/54/30/628485430.db2.gz XKDMYNZTTWMHHE-CYBMUJFWSA-N 1 1 251.757 3.140 20 30 CGEDMO CC(C)n1ccn(C[NH+]2CCC(CC#N)CC2)c1=S ZINC000781571250 628573727 /nfs/dbraw/zinc/57/37/27/628573727.db2.gz DKPIIUPWTOCYHH-UHFFFAOYSA-N 1 1 278.425 3.183 20 30 CGEDMO COc1ccc(N=NC2C[C@H](C)[N@H+](C3CC3)C2)cc1Cl ZINC000782230338 628627199 /nfs/dbraw/zinc/62/71/99/628627199.db2.gz MDKRAYSYBLPCMH-JTQLQIEISA-N 1 1 293.798 3.373 20 30 CGEDMO C=C(Br)C[N@@H+]1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000782502033 628650568 /nfs/dbraw/zinc/65/05/68/628650568.db2.gz DPCBZQQGKRIOLJ-MVWJERBFSA-N 1 1 258.203 3.406 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)C[C@H](O)Cc1cccc(Cl)c1 ZINC000805744041 628703237 /nfs/dbraw/zinc/70/32/37/628703237.db2.gz RIKWXUCOOQKQIB-MRXNPFEDSA-N 1 1 294.826 3.115 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000785998476 628906603 /nfs/dbraw/zinc/90/66/03/628906603.db2.gz GODQMYXQEIOSLT-AWEZNQCLSA-N 1 1 299.370 3.348 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc(OC)cc(CC=C)c1O ZINC000786101752 628914482 /nfs/dbraw/zinc/91/44/82/628914482.db2.gz PQROSJCXKHLPLY-UHFFFAOYSA-N 1 1 261.365 3.137 20 30 CGEDMO C#CC[N@H+](CCC(C)(C)OC)[C@H]1CCc2ccccc21 ZINC000787186623 629000425 /nfs/dbraw/zinc/00/04/25/629000425.db2.gz MHPSGUPVPZNPDU-KRWDZBQOSA-N 1 1 271.404 3.424 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCCC[C@H]2C=C)cc1 ZINC000787311177 629007815 /nfs/dbraw/zinc/00/78/15/629007815.db2.gz SZEASPVAUJGENH-MRXNPFEDSA-N 1 1 255.361 3.239 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000787996965 629038060 /nfs/dbraw/zinc/03/80/60/629038060.db2.gz DEXQESRSPXPCOA-UHFFFAOYSA-N 1 1 284.172 3.432 20 30 CGEDMO COc1ccc2c(c1)C(C)(C)CC2=NNc1cc[nH+]cc1 ZINC000788726723 629076666 /nfs/dbraw/zinc/07/66/66/629076666.db2.gz ZPBRVXYSVBFLQA-UHFFFAOYSA-N 1 1 281.359 3.010 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)[C@@H]2CCc3ccccc32)n1 ZINC000789325382 629124729 /nfs/dbraw/zinc/12/47/29/629124729.db2.gz DPTDNWGGZHQHJE-GOSISDBHSA-N 1 1 279.387 3.026 20 30 CGEDMO COC1(C=[NH+]n2cnnc2-c2ccccc2)CCCCC1 ZINC000790155632 629187528 /nfs/dbraw/zinc/18/75/28/629187528.db2.gz OHVKIMUJWYIQAT-UHFFFAOYSA-N 1 1 284.363 3.128 20 30 CGEDMO C[C@@H]1C[C@H](C)[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000791578478 629290244 /nfs/dbraw/zinc/29/02/44/629290244.db2.gz VEYVMZKXWGMCCP-PHIMTYICSA-N 1 1 264.756 3.225 20 30 CGEDMO C[C@@H]1C[C@H](C)[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000791578478 629290246 /nfs/dbraw/zinc/29/02/46/629290246.db2.gz VEYVMZKXWGMCCP-PHIMTYICSA-N 1 1 264.756 3.225 20 30 CGEDMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000791579828 629290254 /nfs/dbraw/zinc/29/02/54/629290254.db2.gz SUVFUNYXVDTIBE-SMDDNHRTSA-N 1 1 298.308 3.362 20 30 CGEDMO CCCCCCCC[N@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000791589885 629290989 /nfs/dbraw/zinc/29/09/89/629290989.db2.gz JKEHZHRXMCVYSG-CVEARBPZSA-N 1 1 269.429 3.227 20 30 CGEDMO CCCCCCCNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000875764547 634729948 /nfs/dbraw/zinc/72/99/48/634729948.db2.gz KNWZXZHNSDYTAX-HOTGVXAUSA-N 1 1 297.487 3.329 20 30 CGEDMO CCCCCCCCC[N@H+]1CCO[C@@H](COC)C1 ZINC000792229286 629350769 /nfs/dbraw/zinc/35/07/69/629350769.db2.gz FXDKXVBVCNAFRL-OAHLLOKOSA-N 1 1 257.418 3.084 20 30 CGEDMO CCCCCCCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000875764660 634730343 /nfs/dbraw/zinc/73/03/43/634730343.db2.gz NCGSLOZILLYAAS-XYPWUTKMSA-N 1 1 295.471 3.223 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000862443246 629375594 /nfs/dbraw/zinc/37/55/94/629375594.db2.gz MXPOTCZSPUCPMN-ZDUSSCGKSA-N 1 1 297.320 3.473 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(OC(F)F)c(OC)c2)C1 ZINC000862443358 629376471 /nfs/dbraw/zinc/37/64/71/629376471.db2.gz ONSGFPXILHJJEV-LBPRGKRZSA-N 1 1 295.329 3.142 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(OCCC)cc2)C1 ZINC000862444123 629376843 /nfs/dbraw/zinc/37/68/43/629376843.db2.gz YDLZGYFSNJBIIB-HNNXBMFYSA-N 1 1 257.377 3.321 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000862444929 629377588 /nfs/dbraw/zinc/37/75/88/629377588.db2.gz IZUKCKDHXHRGLB-LBPRGKRZSA-N 1 1 285.416 3.118 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000862445220 629378085 /nfs/dbraw/zinc/37/80/85/629378085.db2.gz OMGDOUSUVLIRPN-HUUCEWRRSA-N 1 1 257.377 3.144 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cnc(C)n2-c2ccccc2)C1 ZINC000862445360 629379752 /nfs/dbraw/zinc/37/97/52/629379752.db2.gz RJRATJYDDGBKNJ-INIZCTEOSA-N 1 1 279.387 3.026 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cnn(-c3ccccc3C)c2)C1 ZINC000862448461 629381568 /nfs/dbraw/zinc/38/15/68/629381568.db2.gz ZCPYPKSDHQCJMS-MRXNPFEDSA-N 1 1 279.387 3.026 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC000862483275 629386610 /nfs/dbraw/zinc/38/66/10/629386610.db2.gz RVZONFMWVOFHKS-GOSISDBHSA-N 1 1 286.419 3.300 20 30 CGEDMO C[N@H+]1CCC(N=Nc2cccc(Cl)n2)CC1(C)C ZINC000863114554 629476586 /nfs/dbraw/zinc/47/65/86/629476586.db2.gz NJBPUWXNBHDSAB-UHFFFAOYSA-N 1 1 266.776 3.007 20 30 CGEDMO Fc1cccc(N=NC2CC[N@H+]3CCC[C@H]23)c1Cl ZINC000863158582 629484258 /nfs/dbraw/zinc/48/42/58/629484258.db2.gz HZBGRQNJOZXTRJ-GFCCVEGCSA-N 1 1 267.735 3.115 20 30 CGEDMO CC(C)C[C@@H](C=NN1CC[NH+](C)CC1)c1ccccc1 ZINC000794446030 629543888 /nfs/dbraw/zinc/54/38/88/629543888.db2.gz UYRXDEPJFOZQSC-KRWDZBQOSA-N 1 1 273.424 3.050 20 30 CGEDMO N#Cc1c(F)cccc1C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000794544197 629552924 /nfs/dbraw/zinc/55/29/24/629552924.db2.gz JXNQJRJZJFKAMT-CQSZACIVSA-N 1 1 281.334 3.082 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000794544197 629552928 /nfs/dbraw/zinc/55/29/28/629552928.db2.gz JXNQJRJZJFKAMT-CQSZACIVSA-N 1 1 281.334 3.082 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC1N=Nc1ncccc1F ZINC000794986092 629613956 /nfs/dbraw/zinc/61/39/56/629613956.db2.gz YMKVSOLVZYUSOV-ZDUSSCGKSA-N 1 1 298.365 3.141 20 30 CGEDMO CC(C)c1[nH+]c(CN=Nc2ncccc2F)c2ccccn21 ZINC000794990032 629614781 /nfs/dbraw/zinc/61/47/81/629614781.db2.gz JFTNBMRWEBQCTN-UHFFFAOYSA-N 1 1 297.337 3.438 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000795088474 629630946 /nfs/dbraw/zinc/63/09/46/629630946.db2.gz VZBRGXAUZFZPOP-HNNXBMFYSA-N 1 1 289.485 3.104 20 30 CGEDMO Cc1cccc(-c2cccc(C[NH+]3CCOCC3)c2)c1C#N ZINC000863690127 629647912 /nfs/dbraw/zinc/64/79/12/629647912.db2.gz LCUAWNCXLRKMST-UHFFFAOYSA-N 1 1 292.382 3.366 20 30 CGEDMO C=CCCC[N@H+](C)Cn1cnc2cc(F)c(F)cc21 ZINC000119745770 629705338 /nfs/dbraw/zinc/70/53/38/629705338.db2.gz RAAWEETVTGXIMR-UHFFFAOYSA-N 1 1 265.307 3.170 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC(C)=C(C)C2)cc1 ZINC000796018111 629736372 /nfs/dbraw/zinc/73/63/72/629736372.db2.gz MSWHCXWMCIQAMG-UHFFFAOYSA-N 1 1 255.361 3.241 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@@](C)(c2ccccc2)CC1 ZINC000796199714 629752399 /nfs/dbraw/zinc/75/23/99/629752399.db2.gz SKVQZCVGSLOZQG-FUHWJXTLSA-N 1 1 286.419 3.359 20 30 CGEDMO Cc1ccccc1[C@H](O)C1CC[NH+](CC2(C#N)CC2)CC1 ZINC000796427693 629779843 /nfs/dbraw/zinc/77/98/43/629779843.db2.gz GUBMTERDUOFDIB-QGZVFWFLSA-N 1 1 284.403 3.044 20 30 CGEDMO CCCCCCCC[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000796556930 629800128 /nfs/dbraw/zinc/80/01/28/629800128.db2.gz QZMVCJORFAJTCZ-CVEARBPZSA-N 1 1 269.429 3.227 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)C[C@@H](O)C1CCCCC1 ZINC000796639683 629808728 /nfs/dbraw/zinc/80/87/28/629808728.db2.gz NEYUQWVRIRGGBK-GOSISDBHSA-N 1 1 271.404 3.063 20 30 CGEDMO C#CC[N@H+](CC[C@@H](O)c1ccccc1)Cc1ccccc1 ZINC000796640803 629808763 /nfs/dbraw/zinc/80/87/63/629808763.db2.gz IVJVNVZCCQUSIB-LJQANCHMSA-N 1 1 279.383 3.246 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)Cc1cccc(C(=O)OC)c1 ZINC000796640431 629809156 /nfs/dbraw/zinc/80/91/56/629809156.db2.gz ZDRNNXCLKFOZPD-UHFFFAOYSA-N 1 1 293.366 3.109 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)OC)c1 ZINC000796640431 629809157 /nfs/dbraw/zinc/80/91/57/629809157.db2.gz ZDRNNXCLKFOZPD-UHFFFAOYSA-N 1 1 293.366 3.109 20 30 CGEDMO COc1cccc(O)c1/C=N\C[C@@H]1c2ccccc2C[N@H+]1C ZINC000864349209 629817253 /nfs/dbraw/zinc/81/72/53/629817253.db2.gz USEXXAKJHJJXLO-DZGUVLCISA-N 1 1 296.370 3.006 20 30 CGEDMO COc1cccc(O)c1/C=N\C[C@@H]1c2ccccc2C[N@@H+]1C ZINC000864349209 629817256 /nfs/dbraw/zinc/81/72/56/629817256.db2.gz USEXXAKJHJJXLO-DZGUVLCISA-N 1 1 296.370 3.006 20 30 CGEDMO C=CCC[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccco1 ZINC000796950102 629864343 /nfs/dbraw/zinc/86/43/43/629864343.db2.gz SAUSBHUHUVRHFI-OAHLLOKOSA-N 1 1 267.332 3.343 20 30 CGEDMO C=CC[N@H+](C[C@H](O)c1ccc(F)cn1)CC1CCCCC1 ZINC000799302193 630163693 /nfs/dbraw/zinc/16/36/93/630163693.db2.gz CRKHNULYHQFEGZ-KRWDZBQOSA-N 1 1 292.398 3.322 20 30 CGEDMO C[C@]1(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CCN(Cc2ccccc2)C1 ZINC000799724540 630225686 /nfs/dbraw/zinc/22/56/86/630225686.db2.gz FAGDRNRNKGMAEV-GUDVDZBRSA-N 1 1 297.446 3.180 20 30 CGEDMO C#CC[N@@H+](Cc1cc(C(F)(F)F)n[nH]1)C1CCCCC1 ZINC000799732639 630228084 /nfs/dbraw/zinc/22/80/84/630228084.db2.gz HBJWEDVOJSMTOI-UHFFFAOYSA-N 1 1 285.313 3.196 20 30 CGEDMO C#CC[N@H+](Cc1cc(C(F)(F)F)n[nH]1)C1CCCCC1 ZINC000799732639 630228088 /nfs/dbraw/zinc/22/80/88/630228088.db2.gz HBJWEDVOJSMTOI-UHFFFAOYSA-N 1 1 285.313 3.196 20 30 CGEDMO C=CC[N@@H+](C[C@H]1CCN(C(=O)c2ccccc2)C1)C(C)C ZINC000801511918 630339656 /nfs/dbraw/zinc/33/96/56/630339656.db2.gz YFQBGNMPSBWHCO-MRXNPFEDSA-N 1 1 286.419 3.045 20 30 CGEDMO C#CCCC[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000801590258 630345717 /nfs/dbraw/zinc/34/57/17/630345717.db2.gz IDBSNTQJQFNGIO-LBPRGKRZSA-N 1 1 259.315 3.454 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+](Cc1ccccc1)CC(C)(C)C ZINC000801918374 630365760 /nfs/dbraw/zinc/36/57/60/630365760.db2.gz KMSDXNAIQKFLLS-HNNXBMFYSA-N 1 1 274.408 3.463 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000801922064 630366306 /nfs/dbraw/zinc/36/63/06/630366306.db2.gz DZGGMEKDKYKHTJ-CHWSQXEVSA-N 1 1 280.799 3.131 20 30 CGEDMO CC(C)[C@H](c1ccccc1)[N@@H+](C)CCO[C@@H](C)C#N ZINC000801919893 630366591 /nfs/dbraw/zinc/36/65/91/630366591.db2.gz JIFCIGBPBMUCCE-GOEBONIOSA-N 1 1 260.381 3.244 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000802008737 630373952 /nfs/dbraw/zinc/37/39/52/630373952.db2.gz OGQJYJFYPAVOGT-QGZVFWFLSA-N 1 1 294.439 3.286 20 30 CGEDMO C[N@H+]1CCCC[C@H]1CCC(=O)OCCCC(C)(C)C#N ZINC000803854583 630502972 /nfs/dbraw/zinc/50/29/72/630502972.db2.gz UOOOSQDKNBAJOE-AWEZNQCLSA-N 1 1 280.412 3.124 20 30 CGEDMO C[N@H+]1CCCC[C@H]1CCC(=O)O[C@@H](C#N)C1CCCCC1 ZINC000803855589 630503016 /nfs/dbraw/zinc/50/30/16/630503016.db2.gz JGGONLZRHIGDSV-HOTGVXAUSA-N 1 1 292.423 3.267 20 30 CGEDMO C#CC[N@H+](CCCC(=O)CC)Cc1ccc(F)cc1 ZINC000809573635 630752260 /nfs/dbraw/zinc/75/22/60/630752260.db2.gz SRXUYJHVIPWCIV-UHFFFAOYSA-N 1 1 261.340 3.020 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CC[C@H](c3ccccn3)C2)cc1 ZINC000809660828 630776949 /nfs/dbraw/zinc/77/69/49/630776949.db2.gz NXHWGYJFOSNREO-KRWDZBQOSA-N 1 1 262.356 3.052 20 30 CGEDMO C#C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)C(C)C ZINC000809685467 630780994 /nfs/dbraw/zinc/78/09/94/630780994.db2.gz VLJNVKAYFRZMNY-BPQIPLTHSA-N 1 1 276.468 3.277 20 30 CGEDMO C#C[C@H](CC)[NH2+]Cc1c(C)nn(-c2ccccc2)c1Cl ZINC000809686238 630783195 /nfs/dbraw/zinc/78/31/95/630783195.db2.gz COMPGKCAVOZIJT-CYBMUJFWSA-N 1 1 287.794 3.336 20 30 CGEDMO C#C[C@H]([NH2+][C@H](CC)COC)c1ccc(Cl)cc1F ZINC000809699701 630785575 /nfs/dbraw/zinc/78/55/75/630785575.db2.gz SDAHNALHXNXDHV-RISCZKNCSA-N 1 1 269.747 3.168 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(OCC)cc1O ZINC000809716568 630790455 /nfs/dbraw/zinc/79/04/55/630790455.db2.gz PWFWDPORSWHEBV-UHFFFAOYSA-N 1 1 295.382 3.426 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2cscc2C(F)(F)F)nc1 ZINC000810154396 630847718 /nfs/dbraw/zinc/84/77/18/630847718.db2.gz OIBMNWKMMXMZNV-UHFFFAOYSA-N 1 1 297.305 3.323 20 30 CGEDMO Cl/C=C/CO[NH+]=C1CCCNc2ccccc21 ZINC000811671399 631108865 /nfs/dbraw/zinc/10/88/65/631108865.db2.gz FDBOYDVWSRZEBR-PJIQGSCPSA-N 1 1 250.729 3.366 20 30 CGEDMO C=CCCCCCCCNC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000811892242 631130429 /nfs/dbraw/zinc/13/04/29/631130429.db2.gz OFHHDLRUFZTFKM-INIZCTEOSA-N 1 1 295.471 3.154 20 30 CGEDMO C#CCC1(C(=O)N[C@H](C)C[N@H+](CC)CCC)CCCCC1 ZINC000811964101 631137028 /nfs/dbraw/zinc/13/70/28/631137028.db2.gz CLDJCCPPOFNJQS-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO Cc1ccc(C[N@@H+](C)Cc2cc(C#N)ccc2N(C)C)o1 ZINC000876534716 634853217 /nfs/dbraw/zinc/85/32/17/634853217.db2.gz GNRQSMLVONPXLQ-UHFFFAOYSA-N 1 1 283.375 3.158 20 30 CGEDMO Cc1ccc(C[N@H+](C)Cc2cc(C#N)ccc2N(C)C)o1 ZINC000876534716 634853219 /nfs/dbraw/zinc/85/32/19/634853219.db2.gz GNRQSMLVONPXLQ-UHFFFAOYSA-N 1 1 283.375 3.158 20 30 CGEDMO CCCCCCCCCC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000814144843 631533175 /nfs/dbraw/zinc/53/31/75/631533175.db2.gz JCIUKBZIYPLPHF-HOTGVXAUSA-N 1 1 280.456 3.290 20 30 CGEDMO CC(=[NH+]OCCOC(C)C)c1ccc(Cl)c(N)c1 ZINC000814937076 631691755 /nfs/dbraw/zinc/69/17/55/631691755.db2.gz UFTKGNFNLCFFTD-UHFFFAOYSA-N 1 1 270.760 3.088 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@H](N(C)c2ccc(C)cc2)C1 ZINC000815089588 631715470 /nfs/dbraw/zinc/71/54/70/631715470.db2.gz DXWDOAPCLHHKGA-SFHVURJKSA-N 1 1 288.435 3.098 20 30 CGEDMO CCc1nocc1C[NH2+]Cc1cccc(O[C@H](C#N)CC)c1 ZINC000815126810 631723988 /nfs/dbraw/zinc/72/39/88/631723988.db2.gz RUTGSXAZBJLREM-HNNXBMFYSA-N 1 1 299.374 3.208 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)[C@H]1C ZINC000816648198 632034269 /nfs/dbraw/zinc/03/42/69/632034269.db2.gz GLKKQXIJAZFNDB-KBPBESRZSA-N 1 1 258.365 3.209 20 30 CGEDMO CCc1nocc1C[N@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000816652619 632038780 /nfs/dbraw/zinc/03/87/80/632038780.db2.gz OSJKUXQUNLGRDU-CYBMUJFWSA-N 1 1 299.374 3.160 20 30 CGEDMO CCc1nocc1C[N@@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000816652619 632038787 /nfs/dbraw/zinc/03/87/87/632038787.db2.gz OSJKUXQUNLGRDU-CYBMUJFWSA-N 1 1 299.374 3.160 20 30 CGEDMO Cc1cnc([C@@H](C)[N@@H+](C)CCc2cccc(C#N)c2)o1 ZINC000879432833 635787509 /nfs/dbraw/zinc/78/75/09/635787509.db2.gz ITEVIHMGYOOUSQ-CYBMUJFWSA-N 1 1 269.348 3.090 20 30 CGEDMO C#CC[N@H+](C[C@H](OC)C1CC1)[C@H]1CCc2ccccc21 ZINC000822588726 632978933 /nfs/dbraw/zinc/97/89/33/632978933.db2.gz XLFUANIEZIMOPY-ROUUACIJSA-N 1 1 269.388 3.034 20 30 CGEDMO Cc1cc(C)c(Cc2noc([C@@H]([NH3+])CCCC#N)n2)c(C)c1 ZINC000822701514 633007750 /nfs/dbraw/zinc/00/77/50/633007750.db2.gz QSKKSOSOUAOSOH-HNNXBMFYSA-N 1 1 298.390 3.279 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H](CC)c1cccc(OC)c1OC ZINC000866300053 633070617 /nfs/dbraw/zinc/07/06/17/633070617.db2.gz REJAUIMIUCKPGM-LBPRGKRZSA-N 1 1 269.772 3.497 20 30 CGEDMO Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1O)CO2 ZINC000866306493 633073778 /nfs/dbraw/zinc/07/37/78/633073778.db2.gz SCYMFIFEJIVBHM-WBMJQRKESA-N 1 1 294.354 3.357 20 30 CGEDMO CCCCCCCC[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000823468106 633110724 /nfs/dbraw/zinc/11/07/24/633110724.db2.gz CBVADRPLBNBKOL-HNNXBMFYSA-N 1 1 264.417 3.276 20 30 CGEDMO COc1c(C)cccc1C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866384129 633113724 /nfs/dbraw/zinc/11/37/24/633113724.db2.gz HTGQZXCKZZWJSE-CYBMUJFWSA-N 1 1 296.370 3.432 20 30 CGEDMO C[C@H](O)[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccccc1 ZINC000866393120 633120427 /nfs/dbraw/zinc/12/04/27/633120427.db2.gz KURZFTFIHLPCAA-DCGLDWPTSA-N 1 1 296.370 3.037 20 30 CGEDMO C[N@H+](Cc1cc(F)ccc1C#N)C[C@@](C)(O)c1ccccc1 ZINC000823592136 633124754 /nfs/dbraw/zinc/12/47/54/633124754.db2.gz QJBXFYIHCZYBKG-GOSISDBHSA-N 1 1 298.361 3.037 20 30 CGEDMO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@@](C)(O)c1ccccc1 ZINC000823592136 633124756 /nfs/dbraw/zinc/12/47/56/633124756.db2.gz QJBXFYIHCZYBKG-GOSISDBHSA-N 1 1 298.361 3.037 20 30 CGEDMO C[N@H+](Cc1cc(F)ccc1C#N)C[C@](C)(O)c1ccccc1 ZINC000823592236 633124867 /nfs/dbraw/zinc/12/48/67/633124867.db2.gz QJBXFYIHCZYBKG-SFHVURJKSA-N 1 1 298.361 3.037 20 30 CGEDMO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@](C)(O)c1ccccc1 ZINC000823592236 633124868 /nfs/dbraw/zinc/12/48/68/633124868.db2.gz QJBXFYIHCZYBKG-SFHVURJKSA-N 1 1 298.361 3.037 20 30 CGEDMO CC(C)[C@H]1CCC[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000876579700 634861179 /nfs/dbraw/zinc/86/11/79/634861179.db2.gz XQNGMMCZPCMHRX-CYBMUJFWSA-N 1 1 263.772 3.227 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[NH2+][C@H](c2ccccc2C)C1 ZINC000825152888 633333277 /nfs/dbraw/zinc/33/32/77/633333277.db2.gz JDWZHJXQSWSRGI-INIZCTEOSA-N 1 1 286.419 3.070 20 30 CGEDMO C[C@H]([NH2+]CC(C)(C)C#N)c1ccc2c(c1)OCCCO2 ZINC000122334642 633376658 /nfs/dbraw/zinc/37/66/58/633376658.db2.gz OJEVXRHDCAEUAC-LBPRGKRZSA-N 1 1 274.364 3.048 20 30 CGEDMO C=CCCN(C)C(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000869100705 633403119 /nfs/dbraw/zinc/40/31/19/633403119.db2.gz FPFDDFXHBRIANI-MRXNPFEDSA-N 1 1 293.455 3.001 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cc3ccncc3s2)C1 ZINC000826533943 633411365 /nfs/dbraw/zinc/41/13/65/633411365.db2.gz BKVBUAHNZPKBIT-LBPRGKRZSA-N 1 1 256.374 3.142 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)cc1 ZINC000826538741 633412826 /nfs/dbraw/zinc/41/28/26/633412826.db2.gz JGEDOSNVOSOQGT-KMFMINBZSA-N 1 1 270.376 3.352 20 30 CGEDMO Cc1cc(C)c(COC(=O)c2ccccc2CC#N)c(C)[nH+]1 ZINC000869338823 633433162 /nfs/dbraw/zinc/43/31/62/633433162.db2.gz RPLBINLQJBBWKO-UHFFFAOYSA-N 1 1 294.354 3.430 20 30 CGEDMO C=CC1(CC(=O)NC[C@@H]2CCCC[N@H+](C)C2)CCCCC1 ZINC000827192615 633470318 /nfs/dbraw/zinc/47/03/18/633470318.db2.gz RLORCEMNPGIIGU-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO N#Cc1cnccc1C[N@H+](CCc1ccccc1)C1CC1 ZINC000827814238 633521106 /nfs/dbraw/zinc/52/11/06/633521106.db2.gz BFKSLHVXRPOOJS-UHFFFAOYSA-N 1 1 277.371 3.160 20 30 CGEDMO N#Cc1cnccc1C[N@@H+](CCc1ccccc1)C1CC1 ZINC000827814238 633521108 /nfs/dbraw/zinc/52/11/08/633521108.db2.gz BFKSLHVXRPOOJS-UHFFFAOYSA-N 1 1 277.371 3.160 20 30 CGEDMO CC(C)C[C@@H]([NH2+]CC1(C#N)CCC1)c1ccccn1 ZINC000828774352 633651192 /nfs/dbraw/zinc/65/11/92/633651192.db2.gz GIHPVLHFYFAMOD-OAHLLOKOSA-N 1 1 257.381 3.452 20 30 CGEDMO CCCCCCCCC[N@H+]1CCC[C@H]1c1nc(=N)n(C)[nH]1 ZINC000829458003 633736655 /nfs/dbraw/zinc/73/66/55/633736655.db2.gz DDPYVYIDWCTZOR-AWEZNQCLSA-N 1 1 293.459 3.115 20 30 CGEDMO C#CC[C@H]1CCC[N@H+]([C@@H](C)c2nc(CCCC)no2)C1 ZINC000829775214 633780003 /nfs/dbraw/zinc/78/00/03/633780003.db2.gz ZKKQLGJENHGBJH-KBPBESRZSA-N 1 1 275.396 3.209 20 30 CGEDMO C#CC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(C)c2)C1 ZINC000829773129 633781105 /nfs/dbraw/zinc/78/11/05/633781105.db2.gz BANFWEZTVOGGAG-CVEARBPZSA-N 1 1 284.403 3.057 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000829778624 633782561 /nfs/dbraw/zinc/78/25/61/633782561.db2.gz FPKDGULRNHSMKV-AWEZNQCLSA-N 1 1 272.348 3.139 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2noc(-c3ccccc3C)n2)C1 ZINC000829789080 633784097 /nfs/dbraw/zinc/78/40/97/633784097.db2.gz NNBODSQASFFFKR-HNNXBMFYSA-N 1 1 295.386 3.280 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2noc(-c3ccccc3C)n2)C1 ZINC000829789080 633784099 /nfs/dbraw/zinc/78/40/99/633784099.db2.gz NNBODSQASFFFKR-HNNXBMFYSA-N 1 1 295.386 3.280 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000829805682 633789093 /nfs/dbraw/zinc/78/90/93/633789093.db2.gz VZZBBXBDQQPRRD-QGZVFWFLSA-N 1 1 293.414 3.167 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000829810536 633792266 /nfs/dbraw/zinc/79/22/66/633792266.db2.gz QVNJDEIVVVGHPM-KRWDZBQOSA-N 1 1 293.414 3.416 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2nc(-c3ccccc3F)no2)C1 ZINC000829809384 633792378 /nfs/dbraw/zinc/79/23/78/633792378.db2.gz AAYNARHNYIRFGU-ZDUSSCGKSA-N 1 1 299.349 3.111 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](CC/C=C\c2cncc(OC)c2)C1 ZINC000829814932 633795220 /nfs/dbraw/zinc/79/52/20/633795220.db2.gz CJSWKAJGUMSHFD-FAOGRTBUSA-N 1 1 284.403 3.229 20 30 CGEDMO C=C(Cl)C[N@H+](Cc1ccc(C)nc1)CC1CC1 ZINC000829846369 633800718 /nfs/dbraw/zinc/80/07/18/633800718.db2.gz OFBSLSNOBZJXEO-UHFFFAOYSA-N 1 1 250.773 3.355 20 30 CGEDMO C=C(Cl)C[N@@H+](Cc1ccc(C)nc1)CC1CC1 ZINC000829846369 633800724 /nfs/dbraw/zinc/80/07/24/633800724.db2.gz OFBSLSNOBZJXEO-UHFFFAOYSA-N 1 1 250.773 3.355 20 30 CGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCCC[C@@H]2C2CCC2)cc1 ZINC000830989224 633905355 /nfs/dbraw/zinc/90/53/55/633905355.db2.gz USOJIOCUNQQJHR-QZTJIDSGSA-N 1 1 284.403 3.246 20 30 CGEDMO C=C(Cl)C[C@H]([NH3+])c1nc([C@H]2CCC(F)(F)C2)no1 ZINC000872180726 634077641 /nfs/dbraw/zinc/07/76/41/634077641.db2.gz ANCKPGYQMYQJRQ-YUMQZZPRSA-N 1 1 277.702 3.115 20 30 CGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(C2Cc3ccccc3C2)no1 ZINC000872174367 634078041 /nfs/dbraw/zinc/07/80/41/634078041.db2.gz ISGZRDQUIOPQAL-CYBMUJFWSA-N 1 1 289.766 3.094 20 30 CGEDMO CSc1nnc(SC)n1[NH+]=CCC(C)(C)SC ZINC000872417815 634141169 /nfs/dbraw/zinc/14/11/69/634141169.db2.gz PNLYLARUNJLFPW-UHFFFAOYSA-N 1 1 290.483 3.088 20 30 CGEDMO C#CCCC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000834607562 634197058 /nfs/dbraw/zinc/19/70/58/634197058.db2.gz ZBWXMRDGOXOVOZ-ZCNNSNEGSA-N 1 1 296.458 3.433 20 30 CGEDMO C=C[C@H](C)[NH2+][C@H](C)c1nc(Br)cs1 ZINC000834619538 634199154 /nfs/dbraw/zinc/19/91/54/634199154.db2.gz IKGQPDDKDQTGQR-NKWVEPMBSA-N 1 1 261.188 3.131 20 30 CGEDMO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000834895402 634272381 /nfs/dbraw/zinc/27/23/81/634272381.db2.gz YFFOKJMCMKAMSO-LZWOXQAQSA-N 1 1 279.355 3.306 20 30 CGEDMO CCc1ccccc1N[NH+]=C1CCCc2nc(N)ccc21 ZINC000834940224 634291056 /nfs/dbraw/zinc/29/10/56/634291056.db2.gz AJYRSBRIYJHXHN-UHFFFAOYSA-N 1 1 280.375 3.379 20 30 CGEDMO FC(F)Oc1ccc(N[NH2+]C=C2CC2(F)F)cc1 ZINC000834952464 634292293 /nfs/dbraw/zinc/29/22/93/634292293.db2.gz SIPJXZMAADHORW-SSDOTTSWSA-N 1 1 262.206 3.341 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835046664 634333714 /nfs/dbraw/zinc/33/37/14/634333714.db2.gz LVWGNZATQZFLEA-NFAHFFEMSA-N 1 1 257.381 3.048 20 30 CGEDMO CCCC[N@H+](Cc1cc(C#N)cnc1Cl)C1CC1 ZINC000876575379 634861115 /nfs/dbraw/zinc/86/11/15/634861115.db2.gz CMFZAOIMEULODA-UHFFFAOYSA-N 1 1 263.772 3.371 20 30 CGEDMO CCCC[N@@H+](Cc1cc(C#N)cnc1Cl)C1CC1 ZINC000876575379 634861118 /nfs/dbraw/zinc/86/11/18/634861118.db2.gz CMFZAOIMEULODA-UHFFFAOYSA-N 1 1 263.772 3.371 20 30 CGEDMO C#CCCCCCC[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000876620720 634869700 /nfs/dbraw/zinc/86/97/00/634869700.db2.gz RAKRVQPZOMHWAX-HNNXBMFYSA-N 1 1 259.397 3.173 20 30 CGEDMO N#Cc1cnc(Cl)c(C[N@H+]2CCC[C@H]3CCC[C@H]32)c1 ZINC000876639803 634873495 /nfs/dbraw/zinc/87/34/95/634873495.db2.gz XEQYVULJNRVEDY-TZMCWYRMSA-N 1 1 275.783 3.371 20 30 CGEDMO CCCCCCC[C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC000837356960 634894942 /nfs/dbraw/zinc/89/49/42/634894942.db2.gz MAVFUVSGRGLHLZ-CQSZACIVSA-N 1 1 279.428 3.304 20 30 CGEDMO C#CCCCCCC[N@@H+](C)[C@H]1CCN(CC)C[C@@H]1C ZINC000876763562 634895765 /nfs/dbraw/zinc/89/57/65/634895765.db2.gz KLVCAKFNBXFAOD-IRXDYDNUSA-N 1 1 264.457 3.232 20 30 CGEDMO C#CCCCCCC[N@H+](C)[C@H]1CCN(CC)C[C@@H]1C ZINC000876763562 634895768 /nfs/dbraw/zinc/89/57/68/634895768.db2.gz KLVCAKFNBXFAOD-IRXDYDNUSA-N 1 1 264.457 3.232 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@@](CC)(CO)C1 ZINC000877439194 635041263 /nfs/dbraw/zinc/04/12/63/635041263.db2.gz XZHYQGOJVFOFLD-MRXNPFEDSA-N 1 1 251.414 3.055 20 30 CGEDMO CN(C)c1[nH+]cc(/C=C2/C(=O)c3ccccc3C2(C)C)n1C ZINC000840720368 635041964 /nfs/dbraw/zinc/04/19/64/635041964.db2.gz ZLXFLPYXRWAIBY-GDNBJRDFSA-N 1 1 295.386 3.044 20 30 CGEDMO C#CCCCCCC[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000877501735 635063891 /nfs/dbraw/zinc/06/38/91/635063891.db2.gz SYRPXOBWBMXUDP-MRXNPFEDSA-N 1 1 256.393 3.455 20 30 CGEDMO C#C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1F ZINC000877519842 635068301 /nfs/dbraw/zinc/06/83/01/635068301.db2.gz ZSYHKOODFJSCFK-GHJWDPDVSA-N 1 1 294.801 3.226 20 30 CGEDMO C#CCCCCCC[N@@H+]1CC[C@](CO)(CCC)C1 ZINC000877537855 635078467 /nfs/dbraw/zinc/07/84/67/635078467.db2.gz QSWAQHVPHPCMOA-MRXNPFEDSA-N 1 1 251.414 3.055 20 30 CGEDMO CSC[C@@H]1CCC[N@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877548082 635084726 /nfs/dbraw/zinc/08/47/26/635084726.db2.gz QNPZULTUXPAYOU-LLVKDONJSA-N 1 1 295.839 3.182 20 30 CGEDMO CSC[C@@H]1CCC[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877548082 635084729 /nfs/dbraw/zinc/08/47/29/635084729.db2.gz QNPZULTUXPAYOU-LLVKDONJSA-N 1 1 295.839 3.182 20 30 CGEDMO N#Cc1cnc(Cl)c(C[N@@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)c1 ZINC000877568047 635095531 /nfs/dbraw/zinc/09/55/31/635095531.db2.gz FORCBNMHFQARJG-GJZGRUSLSA-N 1 1 287.794 3.227 20 30 CGEDMO N#Cc1cnc(Cl)c(C[N@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)c1 ZINC000877568047 635095534 /nfs/dbraw/zinc/09/55/34/635095534.db2.gz FORCBNMHFQARJG-GJZGRUSLSA-N 1 1 287.794 3.227 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000877589843 635104102 /nfs/dbraw/zinc/10/41/02/635104102.db2.gz LLNJGTCQKJAFHF-QGZVFWFLSA-N 1 1 290.451 3.047 20 30 CGEDMO C#CCCCCCC[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000877604361 635107582 /nfs/dbraw/zinc/10/75/82/635107582.db2.gz ZWSBPODTPACARS-IRXDYDNUSA-N 1 1 263.425 3.461 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000877605835 635108446 /nfs/dbraw/zinc/10/84/46/635108446.db2.gz WVZNQPOCPMBISL-ROUUACIJSA-N 1 1 282.431 3.248 20 30 CGEDMO Cc1ccc(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)c(F)c1 ZINC000877609472 635110865 /nfs/dbraw/zinc/11/08/65/635110865.db2.gz LBUJKUYOMKKATK-GOSISDBHSA-N 1 1 298.361 3.171 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000877617549 635115033 /nfs/dbraw/zinc/11/50/33/635115033.db2.gz QUFNDCLGSXSWHF-LBPRGKRZSA-N 1 1 286.325 3.358 20 30 CGEDMO CCOc1cccc(F)c1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000877622335 635118257 /nfs/dbraw/zinc/11/82/57/635118257.db2.gz LAGFCBVKHZAODF-ZDUSSCGKSA-N 1 1 276.355 3.350 20 30 CGEDMO CCOc1cccc(F)c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000877622335 635118263 /nfs/dbraw/zinc/11/82/63/635118263.db2.gz LAGFCBVKHZAODF-ZDUSSCGKSA-N 1 1 276.355 3.350 20 30 CGEDMO C=C(C)C[C@H]([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)C(=O)OC ZINC000877690349 635147684 /nfs/dbraw/zinc/14/76/84/635147684.db2.gz RHLASGRLLBHTRQ-SRVKXCTJSA-N 1 1 293.329 3.205 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3CC[C@@H]4CSC[C@@H]4C3)cc2)CC1 ZINC000877737597 635170316 /nfs/dbraw/zinc/17/03/16/635170316.db2.gz JSISNVQXBQVUIV-CVEARBPZSA-N 1 1 298.455 3.427 20 30 CGEDMO C=CC(C)(C)CC(=O)Nc1nc2c(s1)C[N@H+](CC)CC2 ZINC000878065815 635343644 /nfs/dbraw/zinc/34/36/44/635343644.db2.gz WQGVCHYPLDZDCM-UHFFFAOYSA-N 1 1 293.436 3.062 20 30 CGEDMO C=CC(C)(C)CC(=O)Nc1nc2c(s1)C[N@@H+](CC)CC2 ZINC000878065815 635343646 /nfs/dbraw/zinc/34/36/46/635343646.db2.gz WQGVCHYPLDZDCM-UHFFFAOYSA-N 1 1 293.436 3.062 20 30 CGEDMO C#CCCCCC[N@@H+]1CCC[C@@H](OCCC)CC1 ZINC000878088024 635350931 /nfs/dbraw/zinc/35/09/31/635350931.db2.gz FFFNFJKFGNMNMH-MRXNPFEDSA-N 1 1 251.414 3.461 20 30 CGEDMO C=CC1CC[NH+](Cc2ncccc2Br)CC1 ZINC000878094707 635354693 /nfs/dbraw/zinc/35/46/93/635354693.db2.gz WMFBXDQFNPGVLY-UHFFFAOYSA-N 1 1 281.197 3.242 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@H](C)[C@@H]1C)c1ccccc1 ZINC000878165156 635390062 /nfs/dbraw/zinc/39/00/62/635390062.db2.gz SFOYJNKEDKUTRK-RLFYNMQTSA-N 1 1 284.403 3.157 20 30 CGEDMO C#CCCCCC[N@H+](C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000878207578 635414901 /nfs/dbraw/zinc/41/49/01/635414901.db2.gz DALSWQIWIMOSFE-UHFFFAOYSA-N 1 1 298.430 3.204 20 30 CGEDMO C#CCCCCCN1CC[N@H+](CCCCCC#C)C[C@H]1C ZINC000878209813 635415262 /nfs/dbraw/zinc/41/52/62/635415262.db2.gz KCZXPYKZCDQACV-LJQANCHMSA-N 1 1 288.479 3.380 20 30 CGEDMO C#CCCCCCN1CC[N@H+](CCCCCC#C)[C@H](C)C1 ZINC000878209813 635415268 /nfs/dbraw/zinc/41/52/68/635415268.db2.gz KCZXPYKZCDQACV-LJQANCHMSA-N 1 1 288.479 3.380 20 30 CGEDMO C#CCCCCCN1CC[N@@H+](CCCCCC#C)[C@H](C)C1 ZINC000878209813 635415271 /nfs/dbraw/zinc/41/52/71/635415271.db2.gz KCZXPYKZCDQACV-LJQANCHMSA-N 1 1 288.479 3.380 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)OC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000842834235 635489355 /nfs/dbraw/zinc/48/93/55/635489355.db2.gz RXTGYJMQRRITCF-LSDHHAIUSA-N 1 1 267.413 3.252 20 30 CGEDMO CC(C)(C)c1ccc([C@H](O)C[NH2+]C[C@H](C#N)CCC#N)cc1 ZINC000843083076 635557412 /nfs/dbraw/zinc/55/74/12/635557412.db2.gz WKCSERJGMJORQP-WMLDXEAASA-N 1 1 299.418 3.051 20 30 CGEDMO C#CC1CC[NH+](Cc2cc(C(F)(F)F)co2)CC1 ZINC000878764740 635626108 /nfs/dbraw/zinc/62/61/08/635626108.db2.gz VJPLPHQCKCQWSI-UHFFFAOYSA-N 1 1 257.255 3.144 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H](n2ccnn2)CC1 ZINC000878940661 635661490 /nfs/dbraw/zinc/66/14/90/635661490.db2.gz KZQCZXBWGLKFCP-HNNXBMFYSA-N 1 1 264.417 3.276 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000843423324 635666395 /nfs/dbraw/zinc/66/63/95/635666395.db2.gz CFPHSMSEZONZCK-CQSZACIVSA-N 1 1 297.427 3.440 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000843423419 635666594 /nfs/dbraw/zinc/66/65/94/635666594.db2.gz DAKIITLMIAFDHZ-ZDUSSCGKSA-N 1 1 285.416 3.374 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000843423847 635668112 /nfs/dbraw/zinc/66/81/12/635668112.db2.gz KWULRWULLRBKDE-AWEZNQCLSA-N 1 1 297.377 3.451 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cccc(OCC)c2O)C1 ZINC000843424453 635668814 /nfs/dbraw/zinc/66/88/14/635668814.db2.gz UPZMAANANHDWJB-CQSZACIVSA-N 1 1 273.376 3.026 20 30 CGEDMO C#CCCCCC[N@H+]1C[C@@H](CC(F)(F)F)O[C@@H](C)C1 ZINC000878998083 635676980 /nfs/dbraw/zinc/67/69/80/635676980.db2.gz NLFHPOJCONPILJ-QWHCGFSZSA-N 1 1 277.330 3.222 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCCC[C@@H]1Cc1ccccc1F ZINC000844413132 635893617 /nfs/dbraw/zinc/89/36/17/635893617.db2.gz FQBGSRYTCUYGRN-GDBMZVCRSA-N 1 1 290.382 3.151 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844439460 635901841 /nfs/dbraw/zinc/90/18/41/635901841.db2.gz IBMYFQMAIXMBBT-OAHLLOKOSA-N 1 1 292.329 3.188 20 30 CGEDMO FC1(F)C[C@]12CCC[N@@H+](CC#Cc1ccccc1)C2 ZINC000844442124 635903572 /nfs/dbraw/zinc/90/35/72/635903572.db2.gz VSEYUDPWWAYDQM-HNNXBMFYSA-N 1 1 261.315 3.159 20 30 CGEDMO CC[N@H+](Cc1ccccc1C#N)[C@H](CO)c1ccccc1 ZINC000880460756 636004430 /nfs/dbraw/zinc/00/44/30/636004430.db2.gz ZKYDPKRNXFARDM-GOSISDBHSA-N 1 1 280.371 3.114 20 30 CGEDMO CC[N@@H+](Cc1ccccc1C#N)[C@H](CO)c1ccccc1 ZINC000880460756 636004431 /nfs/dbraw/zinc/00/44/31/636004431.db2.gz ZKYDPKRNXFARDM-GOSISDBHSA-N 1 1 280.371 3.114 20 30 CGEDMO C=CCCCn1cc(C[NH2+][C@H]2CCCc3ccccc32)nn1 ZINC000881194545 636083964 /nfs/dbraw/zinc/08/39/64/636083964.db2.gz MYNQLQIGVFVAPM-SFHVURJKSA-N 1 1 296.418 3.412 20 30 CGEDMO CCCCCCCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000845876488 636113365 /nfs/dbraw/zinc/11/33/65/636113365.db2.gz GCGYYFMQEBMBIW-OAHLLOKOSA-N 1 1 291.439 3.231 20 30 CGEDMO C#CC[C@H]([NH2+]Cc1cnc(CC)o1)c1ccccc1 ZINC000930217254 636190892 /nfs/dbraw/zinc/19/08/92/636190892.db2.gz LPZVDCZOPSVMLP-HNNXBMFYSA-N 1 1 254.333 3.091 20 30 CGEDMO C=CCCC[C@@H](NC(=O)Cn1c[nH+]cc1C)c1ccccc1 ZINC000882238196 636295979 /nfs/dbraw/zinc/29/59/79/636295979.db2.gz RWBXSRJUEDSPFK-QGZVFWFLSA-N 1 1 297.402 3.405 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000846979637 636298380 /nfs/dbraw/zinc/29/83/80/636298380.db2.gz BSSVKMILTNFNJQ-GWCFXTLKSA-N 1 1 287.190 3.309 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F ZINC000846994413 636303839 /nfs/dbraw/zinc/30/38/39/636303839.db2.gz QYFYIQRNPGBTAP-GXFFZTMASA-N 1 1 286.297 3.021 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cccc(C(=O)C(F)(F)F)c2)C1 ZINC000847019381 636312080 /nfs/dbraw/zinc/31/20/80/636312080.db2.gz PMPIHUAJARIMPL-GFCCVEGCSA-N 1 1 295.304 3.277 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000847023947 636314755 /nfs/dbraw/zinc/31/47/55/636314755.db2.gz GYRPJVYPIRTTJZ-HNNXBMFYSA-N 1 1 266.388 3.333 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(OC(C)C)cc2)C1 ZINC000847024802 636315231 /nfs/dbraw/zinc/31/52/31/636315231.db2.gz SRQSVAGHYZPNDI-OAHLLOKOSA-N 1 1 257.377 3.319 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](CCCCOc2ccccc2)C1 ZINC000847024226 636315601 /nfs/dbraw/zinc/31/56/01/636315601.db2.gz HRYZTJIDDQCUDQ-INIZCTEOSA-N 1 1 257.377 3.191 20 30 CGEDMO CC(C)c1c[nH]c(C[NH2+][C@H](C)c2cccc(C#N)c2)n1 ZINC000883025484 636510937 /nfs/dbraw/zinc/51/09/37/636510937.db2.gz MNYFBKGJMJEGEL-GFCCVEGCSA-N 1 1 268.364 3.256 20 30 CGEDMO Cc1ccc(N=NC2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000848398781 636566487 /nfs/dbraw/zinc/56/64/87/636566487.db2.gz FFUHSVQMRIOZDL-MRXNPFEDSA-N 1 1 257.381 3.411 20 30 CGEDMO COc1cccc(N=NC2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000848401781 636567308 /nfs/dbraw/zinc/56/73/08/636567308.db2.gz IZBVMQQRTONFMG-MRXNPFEDSA-N 1 1 273.380 3.111 20 30 CGEDMO Fc1cc(F)cc(N=NC2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000848403201 636567790 /nfs/dbraw/zinc/56/77/90/636567790.db2.gz OSMHHRAWOQDYNW-HNNXBMFYSA-N 1 1 279.334 3.381 20 30 CGEDMO N#CCCCC[C@H]([NH3+])c1nc(-c2ccc3[nH]ccc3c2)no1 ZINC000848622504 636621159 /nfs/dbraw/zinc/62/11/59/636621159.db2.gz XPLANEFVGXKRDE-ZDUSSCGKSA-N 1 1 295.346 3.302 20 30 CGEDMO Cc1cscc1-c1noc([C@@H]([NH3+])CCCCC#N)n1 ZINC000848628949 636623326 /nfs/dbraw/zinc/62/33/26/636623326.db2.gz ULNLDCYVYINZGC-NSHDSACASA-N 1 1 276.365 3.190 20 30 CGEDMO C[C@H]([NH2+]CC(C)(C)CCC#N)C(=O)OCc1ccccc1 ZINC000848921197 636692726 /nfs/dbraw/zinc/69/27/26/636692726.db2.gz PXARXSPRKIEBTC-AWEZNQCLSA-N 1 1 288.391 3.038 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(OCC=C)c(OC)c2)C1 ZINC000848923729 636695235 /nfs/dbraw/zinc/69/52/35/636695235.db2.gz PJUDZNSDSLQSGM-OAHLLOKOSA-N 1 1 285.387 3.105 20 30 CGEDMO C#C[C@H]1CCC[N@H+](C[C@H](C)c2ccc(OC)cc2)C1 ZINC000848924086 636695836 /nfs/dbraw/zinc/69/58/36/636695836.db2.gz NHSYLKIXEWHZOD-GJZGRUSLSA-N 1 1 257.377 3.144 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccco3)s2)C1 ZINC000848924418 636697667 /nfs/dbraw/zinc/69/76/67/636697667.db2.gz RVUCREHQAWXRRY-GFCCVEGCSA-N 1 1 272.373 3.248 20 30 CGEDMO CCCC(N)=[NH+]OCc1ccccc1C(C)(C)C#N ZINC000134155817 637002190 /nfs/dbraw/zinc/00/21/90/637002190.db2.gz RCYQWZUSUDEOSM-UHFFFAOYSA-N 1 1 259.353 3.077 20 30 CGEDMO C[C@H](CC(C)(C)C#N)OC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000851203513 637301410 /nfs/dbraw/zinc/30/14/10/637301410.db2.gz BDTMWLNJGBWUCY-WBMJQRKESA-N 1 1 298.402 3.070 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)C[C@@H]1C[C@@]12CCOC2 ZINC000885967401 637336789 /nfs/dbraw/zinc/33/67/89/637336789.db2.gz NUEVXUZUNVWRHH-ZWKOTPCHSA-N 1 1 271.404 3.144 20 30 CGEDMO CC1(C)C[N@@H+](C[C@H](O)CC2(C#N)CCC2)Cc2ccccc21 ZINC000886090124 637404243 /nfs/dbraw/zinc/40/42/43/637404243.db2.gz PYRXQPKNTOCMBG-MRXNPFEDSA-N 1 1 298.430 3.225 20 30 CGEDMO C#CCOCC[N@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000851712895 637470523 /nfs/dbraw/zinc/47/05/23/637470523.db2.gz VDECEJUUSOQRMO-CZUORRHYSA-N 1 1 273.376 3.017 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CC[C@@H](OC)C1 ZINC000851729914 637478833 /nfs/dbraw/zinc/47/88/33/637478833.db2.gz SAXJBIPPFDDFKJ-IAGOWNOFSA-N 1 1 272.392 3.338 20 30 CGEDMO CSc1ccc(C[NH2+]Cc2cnc(C3CC3)o2)cc1C#N ZINC000886277314 637479739 /nfs/dbraw/zinc/47/97/39/637479739.db2.gz NEADONUYZVYHND-UHFFFAOYSA-N 1 1 299.399 3.435 20 30 CGEDMO C#CC[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000886355714 637510972 /nfs/dbraw/zinc/51/09/72/637510972.db2.gz MPQHXXMUOSWZSM-CVEARBPZSA-N 1 1 298.430 3.482 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ncc(-c3ccc(C)cc3)o2)C1 ZINC000886357934 637513315 /nfs/dbraw/zinc/51/33/15/637513315.db2.gz NGMVYPBUOSSXDE-OAHLLOKOSA-N 1 1 280.371 3.495 20 30 CGEDMO C#CC[C@@H]1CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000886364197 637513624 /nfs/dbraw/zinc/51/36/24/637513624.db2.gz ROIOPHARMBFPAD-UONOGXRCSA-N 1 1 272.348 3.309 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccn(C(CC)CC)n2)C1 ZINC000886362795 637513873 /nfs/dbraw/zinc/51/38/73/637513873.db2.gz NMEYNFBXPWIVOM-AWEZNQCLSA-N 1 1 259.397 3.089 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCC=C(Br)C2)cc1 ZINC000852011300 637570882 /nfs/dbraw/zinc/57/08/82/637570882.db2.gz HDTSLDCZEXEIRL-UHFFFAOYSA-N 1 1 291.192 3.085 20 30 CGEDMO N#Cc1ccc(CC[N@@H+]2CCC=C(Br)C2)cc1 ZINC000852011300 637570885 /nfs/dbraw/zinc/57/08/85/637570885.db2.gz HDTSLDCZEXEIRL-UHFFFAOYSA-N 1 1 291.192 3.085 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+]Cc1csc(-c2ccco2)n1 ZINC000852099619 637594814 /nfs/dbraw/zinc/59/48/14/637594814.db2.gz NPZCDRIGLMBZSB-AWEZNQCLSA-N 1 1 260.362 3.295 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](CCOC2CCCCCC2)C1 ZINC000852319086 637633301 /nfs/dbraw/zinc/63/33/01/637633301.db2.gz GUDZHROTTBKSEA-OAHLLOKOSA-N 1 1 264.413 3.351 20 30 CGEDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000852320088 637634331 /nfs/dbraw/zinc/63/43/31/637634331.db2.gz VVEJFWSGCUIHJQ-OAHLLOKOSA-N 1 1 271.408 3.268 20 30 CGEDMO N#C[C@]1(c2ccccn2)CCC[N@@H+](CC2CCCC2)C1 ZINC000852324627 637634929 /nfs/dbraw/zinc/63/49/29/637634929.db2.gz BSQYAELEZPQZEB-QGZVFWFLSA-N 1 1 269.392 3.129 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](C[C@@H](O)c2cccc(F)c2)C1 ZINC000852412234 637649688 /nfs/dbraw/zinc/64/96/88/637649688.db2.gz ZUMOGGSSHMUXMU-XJKSGUPXSA-N 1 1 263.356 3.147 20 30 CGEDMO C#CCCCCCN1CCC(CC)([NH+]2CCC2)CC1 ZINC000886719930 637670746 /nfs/dbraw/zinc/67/07/46/637670746.db2.gz MURSKGGDRHCCMN-UHFFFAOYSA-N 1 1 262.441 3.130 20 30 CGEDMO C=CC[N@H+](C[C@@H](O)c1cc(OC)ccc1OC)C(C)(C)C ZINC000852553314 637677051 /nfs/dbraw/zinc/67/70/51/637677051.db2.gz NVJXMGUVIJGWPO-OAHLLOKOSA-N 1 1 293.407 3.024 20 30 CGEDMO C=CC[N@@H+](C[C@@H](O)c1ccc(F)cc1)C(C)(C)C ZINC000852552658 637677474 /nfs/dbraw/zinc/67/74/74/637677474.db2.gz BULHQHHMTBHKAN-CQSZACIVSA-N 1 1 251.345 3.146 20 30 CGEDMO C=CC[N@@H+](Cc1c(C)nn(C)c1Cl)C(C)(C)C ZINC000852554854 637678849 /nfs/dbraw/zinc/67/88/49/637678849.db2.gz XVBZUFUHISNKCE-UHFFFAOYSA-N 1 1 255.793 3.168 20 30 CGEDMO C=CC[N@H+](Cc1c(C)nn(C)c1Cl)C(C)(C)C ZINC000852554854 637678853 /nfs/dbraw/zinc/67/88/53/637678853.db2.gz XVBZUFUHISNKCE-UHFFFAOYSA-N 1 1 255.793 3.168 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1cc(C(C)C)ccc1OC ZINC000852750548 637706638 /nfs/dbraw/zinc/70/66/38/637706638.db2.gz YFKUSQMPRSGEPQ-UHFFFAOYSA-N 1 1 289.419 3.290 20 30 CGEDMO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc2c(c1)CCCO2 ZINC000852780687 637711441 /nfs/dbraw/zinc/71/14/41/637711441.db2.gz AVOYJWFBGKQGAH-KGLIPLIRSA-N 1 1 283.375 3.106 20 30 CGEDMO N#CCCC[N@@H+]1CCCC[C@H]1CC1(O)CCCCC1 ZINC000887034423 637731964 /nfs/dbraw/zinc/73/19/64/637731964.db2.gz UWFDHLYWODVMRG-HNNXBMFYSA-N 1 1 264.413 3.230 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](CN2C(=O)[C@H]3CCCCC[C@@H]32)C1 ZINC000853537193 637864479 /nfs/dbraw/zinc/86/44/79/637864479.db2.gz QWNORFHFNPMRAW-PMPSAXMXSA-N 1 1 276.424 3.023 20 30 CGEDMO C#CCCCOc1cccnc1N[C@@H](C)C[N@@H+](C)C(C)C ZINC000853637450 637877985 /nfs/dbraw/zinc/87/79/85/637877985.db2.gz SBKAMVWIVQBQAF-HNNXBMFYSA-N 1 1 289.423 3.014 20 30 CGEDMO NC(=[NH+]OCc1cccc2ccccc21)C1CCOCC1 ZINC000112087152 638037462 /nfs/dbraw/zinc/03/74/62/638037462.db2.gz AUEQFWLFVVPYBG-UHFFFAOYSA-N 1 1 284.359 3.055 20 30 CGEDMO C#CCOc1ccc(C[NH2+]Cc2cc(C(C)C)no2)cc1 ZINC000114509813 638374805 /nfs/dbraw/zinc/37/48/05/638374805.db2.gz HXCACEIWGVXMHP-UHFFFAOYSA-N 1 1 284.359 3.100 20 30 CGEDMO C=CCCCCC[N@@H+](C)Cc1cn(C)nc1Cl ZINC000857021470 638429785 /nfs/dbraw/zinc/42/97/85/638429785.db2.gz URYJGINLKZXIHO-UHFFFAOYSA-N 1 1 255.793 3.252 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cn(C)nc1Cl ZINC000857021470 638429790 /nfs/dbraw/zinc/42/97/90/638429790.db2.gz URYJGINLKZXIHO-UHFFFAOYSA-N 1 1 255.793 3.252 20 30 CGEDMO N#CCC[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1ccccc1 ZINC000857857104 638582180 /nfs/dbraw/zinc/58/21/80/638582180.db2.gz AAKAZNHXDKYNOG-JKSUJKDBSA-N 1 1 280.375 3.422 20 30 CGEDMO C[C@@H](CC(C)(C)C#N)Nc1ccc2c(c1)[nH+]cn2C ZINC000926094481 638701193 /nfs/dbraw/zinc/70/11/93/638701193.db2.gz AHEJQTUQAGSOKM-NSHDSACASA-N 1 1 256.353 3.314 20 30 CGEDMO C#Cc1cccc(C[NH2+][C@@H]2CCCc3oc(C)nc32)c1 ZINC000926551477 638784492 /nfs/dbraw/zinc/78/44/92/638784492.db2.gz SXTVVDQMHYSNSE-OAHLLOKOSA-N 1 1 266.344 3.132 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCC[C@H]2c2ccccc2)c1 ZINC000929107501 638899127 /nfs/dbraw/zinc/89/91/27/638899127.db2.gz OEYKFGXCGMTSNX-KRWDZBQOSA-N 1 1 263.344 3.290 20 30 CGEDMO C[N@@H+](CCCc1cccnc1)Cc1ccc(C#N)cc1 ZINC000929162742 638904163 /nfs/dbraw/zinc/90/41/63/638904163.db2.gz SXNCQEKJBBJMMV-UHFFFAOYSA-N 1 1 265.360 3.018 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)CC(C)(C)O1 ZINC000929348107 638920263 /nfs/dbraw/zinc/92/02/63/638920263.db2.gz NUPVOYGGXBSGAJ-CQSZACIVSA-N 1 1 264.413 3.350 20 30 CGEDMO C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@H](O)CC#N ZINC000929383993 638922911 /nfs/dbraw/zinc/92/29/11/638922911.db2.gz RYKYKPLKOVHLSI-GXSJLCMTSA-N 1 1 287.190 3.261 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCC[C@@H]2CN2CCCCC2)CC1 ZINC000929491054 638928336 /nfs/dbraw/zinc/92/83/36/638928336.db2.gz DOULBVDJUBTHPY-DAWZGUTISA-N 1 1 289.467 3.267 20 30 CGEDMO N#CC[C@@H](O)C[N@@H+](Cc1ccccc1Cl)C1CCCC1 ZINC000929525834 638930241 /nfs/dbraw/zinc/93/02/41/638930241.db2.gz KOBDOSZDVULFHI-OAHLLOKOSA-N 1 1 292.810 3.359 20 30 CGEDMO N#CC1(CCCC[N@@H+]2CC[C@H](N3CCCCC3)C2)CCC1 ZINC000929607259 638934003 /nfs/dbraw/zinc/93/40/03/638934003.db2.gz NTQAORIXQCDNAV-KRWDZBQOSA-N 1 1 289.467 3.411 20 30 CGEDMO N#CC1(CCCC[N@H+]2CC[C@H](N3CCCCC3)C2)CCC1 ZINC000929607259 638934004 /nfs/dbraw/zinc/93/40/04/638934004.db2.gz NTQAORIXQCDNAV-KRWDZBQOSA-N 1 1 289.467 3.411 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000929679043 638940346 /nfs/dbraw/zinc/94/03/46/638940346.db2.gz QJEXNVDUKSFNDD-RDJZCZTQSA-N 1 1 286.419 3.104 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000929679043 638940348 /nfs/dbraw/zinc/94/03/48/638940348.db2.gz QJEXNVDUKSFNDD-RDJZCZTQSA-N 1 1 286.419 3.104 20 30 CGEDMO N#CC1(CCCCN2CC[C@@H](C[NH+]3CCCC3)C2)CCC1 ZINC000929696986 638942381 /nfs/dbraw/zinc/94/23/81/638942381.db2.gz PPKBXXHQGCPXQS-KRWDZBQOSA-N 1 1 289.467 3.268 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCOC3(CCCCC3)C2)CC1 ZINC000929719616 638944655 /nfs/dbraw/zinc/94/46/55/638944655.db2.gz XZGIWSZGICFPJV-UHFFFAOYSA-N 1 1 276.424 3.351 20 30 CGEDMO C[C@H]1C[C@@H](N(C)Cc2cc(Cl)cc(C#N)c2)CC[N@H+]1C ZINC000929783697 638951261 /nfs/dbraw/zinc/95/12/61/638951261.db2.gz YPSQOIYJVDUMSL-LRDDRELGSA-N 1 1 291.826 3.126 20 30 CGEDMO C[C@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)cc(C#N)c2)CCN1C ZINC000929783697 638951264 /nfs/dbraw/zinc/95/12/64/638951264.db2.gz YPSQOIYJVDUMSL-LRDDRELGSA-N 1 1 291.826 3.126 20 30 CGEDMO C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(Cl)cc(C#N)c2)CCN1C ZINC000929783697 638951265 /nfs/dbraw/zinc/95/12/65/638951265.db2.gz YPSQOIYJVDUMSL-LRDDRELGSA-N 1 1 291.826 3.126 20 30 CGEDMO CC1(C)CCC[C@H]1[N@H+](Cc1ccccc1)C[C@H](O)CC#N ZINC000929802488 638952674 /nfs/dbraw/zinc/95/26/74/638952674.db2.gz AIEYTPDWSJQMRQ-IAGOWNOFSA-N 1 1 286.419 3.342 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCSC3(CCCCC3)C2)c1 ZINC000929809980 638953184 /nfs/dbraw/zinc/95/31/84/638953184.db2.gz QDUCUTZYGWGZSO-UHFFFAOYSA-N 1 1 287.432 3.205 20 30 CGEDMO CC(C)C[C@@H]1CCC[N@@H+](Cc2cncc(C#N)c2)C1 ZINC000929830762 638955267 /nfs/dbraw/zinc/95/52/67/638955267.db2.gz AOEKIFHUGNCHCS-AWEZNQCLSA-N 1 1 257.381 3.211 20 30 CGEDMO CC(C)(O)[C@H]1CCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000930062775 638971786 /nfs/dbraw/zinc/97/17/86/638971786.db2.gz YLFVVHRMQWAUPQ-CQSZACIVSA-N 1 1 264.413 3.086 20 30 CGEDMO C[N@@H+](Cc1cc(Cl)cc(C#N)c1)[C@H]1CCSC1 ZINC000930094710 638974175 /nfs/dbraw/zinc/97/41/75/638974175.db2.gz TUPYUCVHIXNDJY-ZDUSSCGKSA-N 1 1 266.797 3.149 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](C)CC1CCOCC1 ZINC000930154344 638977867 /nfs/dbraw/zinc/97/78/67/638977867.db2.gz GGCBERPVJTYDQF-UHFFFAOYSA-N 1 1 272.392 3.034 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCc2ncsc2C1 ZINC000930252499 638986377 /nfs/dbraw/zinc/98/63/77/638986377.db2.gz XBWHNVMXDIDOMS-UHFFFAOYSA-N 1 1 283.400 3.190 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCc2ncsc2C1 ZINC000930252499 638986379 /nfs/dbraw/zinc/98/63/79/638986379.db2.gz XBWHNVMXDIDOMS-UHFFFAOYSA-N 1 1 283.400 3.190 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000930265270 638987075 /nfs/dbraw/zinc/98/70/75/638987075.db2.gz UUJCNOXWUZSQNI-IJLUTSLNSA-N 1 1 263.303 3.137 20 30 CGEDMO CO[C@@]1(C)CCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000930271430 638987483 /nfs/dbraw/zinc/98/74/83/638987483.db2.gz XNAZFSDFEVNALJ-HNNXBMFYSA-N 1 1 278.783 3.213 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1C[C@H](N2CCCC2)C[C@H]1C ZINC000930455891 639001137 /nfs/dbraw/zinc/00/11/37/639001137.db2.gz BRQZRRVJJOTGBT-SJLPKXTDSA-N 1 1 297.446 3.234 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@H](N2CCCC2)C[C@H]1C ZINC000930455891 639001140 /nfs/dbraw/zinc/00/11/40/639001140.db2.gz BRQZRRVJJOTGBT-SJLPKXTDSA-N 1 1 297.446 3.234 20 30 CGEDMO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCCCC1(C#N)CCC1)C2 ZINC000930460470 639003648 /nfs/dbraw/zinc/00/36/48/639003648.db2.gz OPFKOKNHQXYPIT-SJPCQFCGSA-N 1 1 289.467 3.408 20 30 CGEDMO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCCCC1(C#N)CCC1)C2 ZINC000930460470 639003652 /nfs/dbraw/zinc/00/36/52/639003652.db2.gz OPFKOKNHQXYPIT-SJPCQFCGSA-N 1 1 289.467 3.408 20 30 CGEDMO C[N@@H+](CC(C)(C)C#N)C1CC(OCc2ccccc2)C1 ZINC000930569360 639028423 /nfs/dbraw/zinc/02/84/23/639028423.db2.gz RGAKERKTHKCEKY-UHFFFAOYSA-N 1 1 272.392 3.216 20 30 CGEDMO COC[C@]1(C)CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000930602852 639035552 /nfs/dbraw/zinc/03/55/52/639035552.db2.gz FERUCXNQCWEURN-OAHLLOKOSA-N 1 1 278.783 3.070 20 30 CGEDMO CC(C)N1CC[C@@H]([N@@H+](C)CCCCC2(C#N)CCC2)C1 ZINC000930673282 639051714 /nfs/dbraw/zinc/05/17/14/639051714.db2.gz SOGWUQYCJGCIBG-MRXNPFEDSA-N 1 1 277.456 3.265 20 30 CGEDMO CC(C)[N@@H+]1CC[C@@H](N(C)CCCCC2(C#N)CCC2)C1 ZINC000930673282 639051717 /nfs/dbraw/zinc/05/17/17/639051717.db2.gz SOGWUQYCJGCIBG-MRXNPFEDSA-N 1 1 277.456 3.265 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](N(C)CCCCC2(C#N)CCC2)C1 ZINC000930673282 639051721 /nfs/dbraw/zinc/05/17/21/639051721.db2.gz SOGWUQYCJGCIBG-MRXNPFEDSA-N 1 1 277.456 3.265 20 30 CGEDMO C[N@@H+](CC1CCC(C#N)CC1)C(C)(C)CN1CCCC1 ZINC000930744911 639063042 /nfs/dbraw/zinc/06/30/42/639063042.db2.gz PZHNVLSXUKZTRK-UHFFFAOYSA-N 1 1 277.456 3.123 20 30 CGEDMO CN(CC1CCC(C#N)CC1)C(C)(C)C[NH+]1CCCC1 ZINC000930744911 639063045 /nfs/dbraw/zinc/06/30/45/639063045.db2.gz PZHNVLSXUKZTRK-UHFFFAOYSA-N 1 1 277.456 3.123 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)CC1 ZINC000930810234 639070296 /nfs/dbraw/zinc/07/02/96/639070296.db2.gz FSGBWPZSKLGXCU-GQGLESIBSA-N 1 1 276.424 3.207 20 30 CGEDMO C[C@]1(c2cccc(F)c2)CC[N@@H+](Cc2cncc(C#N)c2)C1 ZINC000930845060 639075302 /nfs/dbraw/zinc/07/53/02/639075302.db2.gz FSDKEXDJVBBACQ-SFHVURJKSA-N 1 1 295.361 3.256 20 30 CGEDMO CC[C@@H]1CO[C@@H](CC)C[N@H+]1CC1CCC(C#N)CC1 ZINC000930852853 639077412 /nfs/dbraw/zinc/07/74/12/639077412.db2.gz PZZUNVFCVBROEN-FJBKBRRZSA-N 1 1 264.413 3.206 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cncc(C#N)c2)CCc2ccccc21 ZINC000930856192 639077573 /nfs/dbraw/zinc/07/75/73/639077573.db2.gz DFLNGSJRHYFHGV-CQSZACIVSA-N 1 1 277.371 3.115 20 30 CGEDMO CN(C)c1ncc(C[N@@H+]2CC[C@](C)(C#N)C2)c2ccccc21 ZINC000931063036 639106258 /nfs/dbraw/zinc/10/62/58/639106258.db2.gz ODMBDQCKTDTVME-GOSISDBHSA-N 1 1 294.402 3.036 20 30 CGEDMO CN(C)c1ncc(C[N@H+]2CC[C@](C)(C#N)C2)c2ccccc21 ZINC000931063036 639106260 /nfs/dbraw/zinc/10/62/60/639106260.db2.gz ODMBDQCKTDTVME-GOSISDBHSA-N 1 1 294.402 3.036 20 30 CGEDMO CC1(C)CCC(C)(C)[N@@H+](Cc2cncc(C#N)c2)C1 ZINC000931165909 639120277 /nfs/dbraw/zinc/12/02/77/639120277.db2.gz SNFUQNJZBJZWEH-UHFFFAOYSA-N 1 1 257.381 3.354 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1coc(-c2ccccc2F)n1 ZINC000859282026 639123625 /nfs/dbraw/zinc/12/36/25/639123625.db2.gz ZNCPRCWIRCIKCJ-UHFFFAOYSA-N 1 1 272.323 3.324 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1coc(-c2ccccc2F)n1 ZINC000859282026 639123628 /nfs/dbraw/zinc/12/36/28/639123628.db2.gz ZNCPRCWIRCIKCJ-UHFFFAOYSA-N 1 1 272.323 3.324 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000859444570 639141767 /nfs/dbraw/zinc/14/17/67/639141767.db2.gz TZYGFEHQLRPIEO-LLVKDONJSA-N 1 1 264.300 3.132 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC000931372000 639142070 /nfs/dbraw/zinc/14/20/70/639142070.db2.gz HVFJLROSKDSXEW-KBPBESRZSA-N 1 1 282.391 3.435 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2nc(C)c3ccccc3n2)C1 ZINC000859445178 639143163 /nfs/dbraw/zinc/14/31/63/639143163.db2.gz LEVOYRNKHSEHBP-AWEZNQCLSA-N 1 1 267.376 3.336 20 30 CGEDMO N#CC1(CCCC[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)CCC1 ZINC000931504732 639161262 /nfs/dbraw/zinc/16/12/62/639161262.db2.gz KFTLONNOJKDLEV-ULQDDVLXSA-N 1 1 290.451 3.476 20 30 CGEDMO N#CC1(CCCC[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)CCC1 ZINC000931504725 639161578 /nfs/dbraw/zinc/16/15/78/639161578.db2.gz KFTLONNOJKDLEV-BBWFWOEESA-N 1 1 290.451 3.476 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](CCCCC2(C#N)CCC2)CCN1C ZINC000931551734 639169065 /nfs/dbraw/zinc/16/90/65/639169065.db2.gz ZXJUYKXMDTXTGA-MRXNPFEDSA-N 1 1 277.456 3.123 20 30 CGEDMO CC(C)[C@H]1CN(CCCCC2(C#N)CCC2)CC[N@@H+]1C ZINC000931551734 639169071 /nfs/dbraw/zinc/16/90/71/639169071.db2.gz ZXJUYKXMDTXTGA-MRXNPFEDSA-N 1 1 277.456 3.123 20 30 CGEDMO CC(C)[C@H]1CN(CCCCC2(C#N)CCC2)CC[N@H+]1C ZINC000931551734 639169075 /nfs/dbraw/zinc/16/90/75/639169075.db2.gz ZXJUYKXMDTXTGA-MRXNPFEDSA-N 1 1 277.456 3.123 20 30 CGEDMO CC1([NH+]2CCC2)CCN(CCCCC2(C#N)CCC2)CC1 ZINC000931700290 639191597 /nfs/dbraw/zinc/19/15/97/639191597.db2.gz NCGIDOZMHJUOEZ-UHFFFAOYSA-N 1 1 289.467 3.411 20 30 CGEDMO CC1(N2CCC2)CC[NH+](CCCCC2(C#N)CCC2)CC1 ZINC000931700290 639191601 /nfs/dbraw/zinc/19/16/01/639191601.db2.gz NCGIDOZMHJUOEZ-UHFFFAOYSA-N 1 1 289.467 3.411 20 30 CGEDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2[C@@H](C#N)c1ccc(Cl)cc1 ZINC000931718448 639196295 /nfs/dbraw/zinc/19/62/95/639196295.db2.gz RNHZRFCANYBZRY-XHSDSOJGSA-N 1 1 289.810 3.073 20 30 CGEDMO N#C[C@H]1CCC[N@H+](CCSCc2ccccc2)C1 ZINC000932154314 639277777 /nfs/dbraw/zinc/27/77/77/639277777.db2.gz JKRWBSMGQVNCTI-OAHLLOKOSA-N 1 1 260.406 3.155 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](CCSCc2ccccc2)C1 ZINC000932154314 639277784 /nfs/dbraw/zinc/27/77/84/639277784.db2.gz JKRWBSMGQVNCTI-OAHLLOKOSA-N 1 1 260.406 3.155 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](CCSC2CCCCC2)C1 ZINC000932155035 639278111 /nfs/dbraw/zinc/27/81/11/639278111.db2.gz VSCFCMRIRUEGQA-ZDUSSCGKSA-N 1 1 252.427 3.288 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](CCSC2CCCCC2)C1 ZINC000932155035 639278117 /nfs/dbraw/zinc/27/81/17/639278117.db2.gz VSCFCMRIRUEGQA-ZDUSSCGKSA-N 1 1 252.427 3.288 20 30 CGEDMO N#C[C@H]1CCC[N@H+](CCSC2CCCCC2)C1 ZINC000932155034 639278579 /nfs/dbraw/zinc/27/85/79/639278579.db2.gz VSCFCMRIRUEGQA-CYBMUJFWSA-N 1 1 252.427 3.288 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](CCSC2CCCCC2)C1 ZINC000932155034 639278586 /nfs/dbraw/zinc/27/85/86/639278586.db2.gz VSCFCMRIRUEGQA-CYBMUJFWSA-N 1 1 252.427 3.288 20 30 CGEDMO C#CC[N@H+](Cc1cc(-c2ccco2)on1)C(C)(C)C ZINC000932466181 639337455 /nfs/dbraw/zinc/33/74/55/639337455.db2.gz UXSKOIHLCZRVCU-UHFFFAOYSA-N 1 1 258.321 3.168 20 30 CGEDMO C#CC[N@@H+](Cc1cc(-c2ccco2)on1)C(C)(C)C ZINC000932466181 639337460 /nfs/dbraw/zinc/33/74/60/639337460.db2.gz UXSKOIHLCZRVCU-UHFFFAOYSA-N 1 1 258.321 3.168 20 30 CGEDMO N#CC1(CC[N@@H+]2CCn3cccc3C2)CCCCC1 ZINC000932525222 639346343 /nfs/dbraw/zinc/34/63/43/639346343.db2.gz UWHCUVHWINCODF-UHFFFAOYSA-N 1 1 257.381 3.168 20 30 CGEDMO N#CC1(CC[N@H+]2CCn3cccc3C2)CCCCC1 ZINC000932525222 639346348 /nfs/dbraw/zinc/34/63/48/639346348.db2.gz UWHCUVHWINCODF-UHFFFAOYSA-N 1 1 257.381 3.168 20 30 CGEDMO Cc1cc(F)ccc1[C@H](C)[NH2+]Cc1ccncc1C#N ZINC000932562235 639354428 /nfs/dbraw/zinc/35/44/28/639354428.db2.gz ZREIQXJALMTBLF-LBPRGKRZSA-N 1 1 269.323 3.252 20 30 CGEDMO Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@@H](C#N)CCC#N ZINC000932566339 639357177 /nfs/dbraw/zinc/35/71/77/639357177.db2.gz CAADQBUGKHDCBP-QWHCGFSZSA-N 1 1 259.328 3.228 20 30 CGEDMO C=CCCCCC[N@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932602873 639365310 /nfs/dbraw/zinc/36/53/10/639365310.db2.gz LEFVTLRBUMSPRX-UHFFFAOYSA-N 1 1 259.397 3.323 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000932699691 639375089 /nfs/dbraw/zinc/37/50/89/639375089.db2.gz LYWRKOAQPZHTQZ-CQSZACIVSA-N 1 1 282.428 3.189 20 30 CGEDMO C#CC[N@@H+](Cc1cnc(C)nc1)[C@H]1CCCc2ccccc21 ZINC000933417509 639448282 /nfs/dbraw/zinc/44/82/82/639448282.db2.gz ISUJTRJGWSDORW-IBGZPJMESA-N 1 1 291.398 3.298 20 30 CGEDMO C#CC[N@H+](Cc1cnc(C)nc1)[C@H]1CCCc2ccccc21 ZINC000933417509 639448285 /nfs/dbraw/zinc/44/82/85/639448285.db2.gz ISUJTRJGWSDORW-IBGZPJMESA-N 1 1 291.398 3.298 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCCSC[C@H]1C1CC1 ZINC000933917891 639507729 /nfs/dbraw/zinc/50/77/29/639507729.db2.gz NYZVRHBZZUUIMN-INIZCTEOSA-N 1 1 272.417 3.276 20 30 CGEDMO C[C@@H]1CSCCC[N@H+]1Cc1cccc(C#N)c1F ZINC000934305197 639577515 /nfs/dbraw/zinc/57/75/15/639577515.db2.gz WMFXCOPXDMKGPX-LLVKDONJSA-N 1 1 264.369 3.025 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000934463181 639612293 /nfs/dbraw/zinc/61/22/93/639612293.db2.gz UOTOZCZMDLIJMB-IJLUTSLNSA-N 1 1 263.303 3.137 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C ZINC000934466632 639613781 /nfs/dbraw/zinc/61/37/81/639613781.db2.gz UQXRSJBXQKRKKS-CYBMUJFWSA-N 1 1 278.783 3.237 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C ZINC000934466632 639613786 /nfs/dbraw/zinc/61/37/86/639613786.db2.gz UQXRSJBXQKRKKS-CYBMUJFWSA-N 1 1 278.783 3.237 20 30 CGEDMO C#C[C@H]1CCCC[N@H+]1CCCc1nc(-c2ccccc2)no1 ZINC000934510214 639622560 /nfs/dbraw/zinc/62/25/60/639622560.db2.gz VHCKBNKTXSLOLN-INIZCTEOSA-N 1 1 295.386 3.157 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1ccc(S(=O)(=O)CC)cc1 ZINC000934645613 639648650 /nfs/dbraw/zinc/64/86/50/639648650.db2.gz VPLIEFPOLLWZFD-UHFFFAOYSA-N 1 1 295.448 3.268 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1csc(-c2ccn(C)n2)n1 ZINC000934647501 639648845 /nfs/dbraw/zinc/64/88/45/639648845.db2.gz PVSUDUUXKIQUPS-UHFFFAOYSA-N 1 1 290.436 3.332 20 30 CGEDMO C=CCCC[N@@H+](CC)Cc1nnc(C(C)(C)C)o1 ZINC000934650361 639650019 /nfs/dbraw/zinc/65/00/19/639650019.db2.gz KDOOZKPINZOAIR-UHFFFAOYSA-N 1 1 251.374 3.155 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1nnc(C(C)(C)C)o1 ZINC000934650361 639650035 /nfs/dbraw/zinc/65/00/35/639650035.db2.gz KDOOZKPINZOAIR-UHFFFAOYSA-N 1 1 251.374 3.155 20 30 CGEDMO C#CCCCCC[N@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000934829816 639680995 /nfs/dbraw/zinc/68/09/95/639680995.db2.gz BVLPAGFXKRPLTP-SJORKVTESA-N 1 1 263.425 3.319 20 30 CGEDMO C=C(C)c1cccc(NC(=O)NCC[N@H+](C)C(C)C)c1 ZINC000934878546 639696097 /nfs/dbraw/zinc/69/60/97/639696097.db2.gz NNVDRCCZWUACHK-UHFFFAOYSA-N 1 1 275.396 3.181 20 30 CGEDMO COc1cc(C[N@@H+](CCC#N)CCC(C)C)c(O)cc1C ZINC000160139451 640092278 /nfs/dbraw/zinc/09/22/78/640092278.db2.gz ZNIBBMREDIEFMV-UHFFFAOYSA-N 1 1 290.407 3.471 20 30 CGEDMO C#CC[N@@H+](C)CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000193129891 640434772 /nfs/dbraw/zinc/43/47/72/640434772.db2.gz GHRNTXNKCZGJAH-UHFFFAOYSA-N 1 1 288.394 3.451 20 30 CGEDMO NC(=[NH+]OCCOc1ccccc1Cl)C1CCCC1 ZINC000195595627 640591149 /nfs/dbraw/zinc/59/11/49/640591149.db2.gz OYZHLLYSWNYCNG-UHFFFAOYSA-N 1 1 282.771 3.198 20 30 CGEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C/c2cccnc2)cc1 ZINC000083536546 640596974 /nfs/dbraw/zinc/59/69/74/640596974.db2.gz ADVKSSPIEDFJFG-RUDMXATFSA-N 1 1 289.338 3.472 20 30 CGEDMO CCC[C@H](C)[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000247264328 640714142 /nfs/dbraw/zinc/71/41/42/640714142.db2.gz RVFGOSXTTFDODC-BMGDILEWSA-N 1 1 286.419 3.492 20 30 CGEDMO CC[C@@H](C)C[N@@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000091796269 640722265 /nfs/dbraw/zinc/72/22/65/640722265.db2.gz ZULUKXUBBZHJAH-KGLIPLIRSA-N 1 1 260.381 3.455 20 30 CGEDMO COCC[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)CC(C)C ZINC000092563398 640741124 /nfs/dbraw/zinc/74/11/24/640741124.db2.gz GMJSPVWAJGINFX-OAHLLOKOSA-N 1 1 290.407 3.082 20 30 CGEDMO C=C(Cl)CN1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000303176852 640827332 /nfs/dbraw/zinc/82/73/32/640827332.db2.gz CHFQALQBCGUWFK-UHFFFAOYSA-N 1 1 278.827 3.335 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2C)C1 ZINC001006633903 640936639 /nfs/dbraw/zinc/93/66/39/640936639.db2.gz WWPDUMXXPWMHLF-MRXNPFEDSA-N 1 1 286.419 3.155 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2Cl)C1 ZINC001007395765 640942421 /nfs/dbraw/zinc/94/24/21/640942421.db2.gz JHMROPNHAOHFAA-LLVKDONJSA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001007622220 640943989 /nfs/dbraw/zinc/94/39/89/640943989.db2.gz TVXGUPLIEWZSJR-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001007623755 640944124 /nfs/dbraw/zinc/94/41/24/640944124.db2.gz YUQNUYVBZHELEF-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001008585590 640951926 /nfs/dbraw/zinc/95/19/26/640951926.db2.gz CSKJKRQEAFDEJK-BRWVUGGUSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccsc2Cl)C1 ZINC001008765003 640954342 /nfs/dbraw/zinc/95/43/42/640954342.db2.gz DSCYLGJDNLLOKV-LLVKDONJSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)c(C)s2)C1 ZINC001009448204 640959162 /nfs/dbraw/zinc/95/91/62/640959162.db2.gz KFKPASPJZOOWHJ-CQSZACIVSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC001009323922 640959363 /nfs/dbraw/zinc/95/93/63/640959363.db2.gz DLGPIZZFTMVIIZ-KRWDZBQOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001009604899 640960692 /nfs/dbraw/zinc/96/06/92/640960692.db2.gz UPUUETNBCMFSLL-SJLPKXTDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C=C2CCCCC2)C1 ZINC001010346723 640967694 /nfs/dbraw/zinc/96/76/94/640967694.db2.gz CLNYCORFTQBQNG-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2C(C)C)C1 ZINC001014646025 640975838 /nfs/dbraw/zinc/97/58/38/640975838.db2.gz AJELYBMAPGRBBV-HNNXBMFYSA-N 1 1 286.419 3.190 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](CCCC3CCC3)C2)C1 ZINC001015676703 640984061 /nfs/dbraw/zinc/98/40/61/640984061.db2.gz ODYQKHALAYETLA-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)c2cccs2)C1 ZINC001015694622 640984149 /nfs/dbraw/zinc/98/41/49/640984149.db2.gz WQBXLNCLTJVUDJ-UONOGXRCSA-N 1 1 292.448 3.008 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](CC3=CCCCC3)C2)C1 ZINC001015674248 640984609 /nfs/dbraw/zinc/98/46/09/640984609.db2.gz XGFJHIRIGALNQB-MRXNPFEDSA-N 1 1 288.435 3.034 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)C2CCCCC2)C1 ZINC001015814997 640987192 /nfs/dbraw/zinc/98/71/92/640987192.db2.gz QZECYCIFZBTUIF-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cccc(C)c2C)C1 ZINC001016153487 640992351 /nfs/dbraw/zinc/99/23/51/640992351.db2.gz PHYFWGDYGOLOFV-INIZCTEOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[C@H]1C ZINC001017576829 641013772 /nfs/dbraw/zinc/01/37/72/641013772.db2.gz DUQHFZLZFAAMEG-VQHPVUNQSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC1(C)C ZINC001017813433 641017137 /nfs/dbraw/zinc/01/71/37/641017137.db2.gz FQTGZNLUBGEHTB-OWCLPIDISA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC1(C)C ZINC001017813433 641017141 /nfs/dbraw/zinc/01/71/41/641017141.db2.gz FQTGZNLUBGEHTB-OWCLPIDISA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CC(C)(C)C1 ZINC001017840935 641017519 /nfs/dbraw/zinc/01/75/19/641017519.db2.gz JVCCUAIBPVDPDO-IYBDPMFKSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC[N@H+](CC)C[C@H](C)CC ZINC001567341492 961297061 /nfs/dbraw/zinc/29/70/61/961297061.db2.gz FNHLLCKOSRMSDZ-CQSZACIVSA-N 1 1 268.445 3.073 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1cc(Cl)cs1 ZINC001155639132 805598425 /nfs/dbraw/zinc/59/84/25/805598425.db2.gz XKNSBHDXGFIFAW-SNVBAGLBSA-N 1 1 286.828 3.028 20 30 CGEDMO Cc1cnc(NC(=[NH2+])c2ccc(C(F)(F)F)cc2)c(N)c1 ZINC001155851072 805615571 /nfs/dbraw/zinc/61/55/71/805615571.db2.gz AIOPRYQLZWINRQ-UHFFFAOYSA-N 1 1 294.280 3.028 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)CC(C)C ZINC001156041050 805644559 /nfs/dbraw/zinc/64/45/59/805644559.db2.gz IOTNEXGANWUANL-LSDHHAIUSA-N 1 1 268.445 3.071 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)CC(C)C ZINC001156040985 805644873 /nfs/dbraw/zinc/64/48/73/805644873.db2.gz HPXRANJHHMFZAJ-HZPDHXFCSA-N 1 1 282.472 3.461 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC12CCCC2 ZINC001156200892 805665317 /nfs/dbraw/zinc/66/53/17/805665317.db2.gz SMUDSNPVVNPBBI-KGLIPLIRSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC12CCCC2 ZINC001156200892 805665323 /nfs/dbraw/zinc/66/53/23/805665323.db2.gz SMUDSNPVVNPBBI-KGLIPLIRSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001156540832 805711143 /nfs/dbraw/zinc/71/11/43/805711143.db2.gz IJMPUDMLCYSDBO-BZUAXINKSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(Cl)cc1 ZINC001156548799 805713897 /nfs/dbraw/zinc/71/38/97/805713897.db2.gz IIWFYEOYDIYUEB-CYBMUJFWSA-N 1 1 294.826 3.356 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)c1ccccc1 ZINC001156757764 805731653 /nfs/dbraw/zinc/73/16/53/805731653.db2.gz HJHYDEKBOLDNJX-JKSUJKDBSA-N 1 1 288.435 3.193 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C1CCC=CCC1 ZINC001156935539 805757869 /nfs/dbraw/zinc/75/78/69/805757869.db2.gz RNXHGTXLAWYANB-CQSZACIVSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C1CCC=CCC1 ZINC001156935539 805757873 /nfs/dbraw/zinc/75/78/73/805757873.db2.gz RNXHGTXLAWYANB-CQSZACIVSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C(C)(CC)CC ZINC001157000757 805764833 /nfs/dbraw/zinc/76/48/33/805764833.db2.gz OXPQZPFTBBKJHI-CYBMUJFWSA-N 1 1 288.863 3.392 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C(C)(CC)CC ZINC001157000757 805764840 /nfs/dbraw/zinc/76/48/40/805764840.db2.gz OXPQZPFTBBKJHI-CYBMUJFWSA-N 1 1 288.863 3.392 20 30 CGEDMO CCCCCCC[N@@H+](C)C[C@H](O)COc1cccc(F)c1 ZINC001250799551 805777977 /nfs/dbraw/zinc/77/79/77/805777977.db2.gz BCTSEZFLGJWDLH-INIZCTEOSA-N 1 1 297.414 3.468 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)C1CC(C(C)(C)C)C1 ZINC001157203261 805789643 /nfs/dbraw/zinc/78/96/43/805789643.db2.gz DZYNAUOIHAFNSL-WLYUNCDWSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCCN1C(=O)CC ZINC001157384143 805803453 /nfs/dbraw/zinc/80/34/53/805803453.db2.gz SINYOWUZLUBOCG-LSDHHAIUSA-N 1 1 266.429 3.064 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)C1CC1 ZINC001157408641 805809197 /nfs/dbraw/zinc/80/91/97/805809197.db2.gz MNWALAICOOUQEN-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)CCCC ZINC001157554176 805833777 /nfs/dbraw/zinc/83/37/77/805833777.db2.gz DEXQRIXJAGVHAB-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@@H]1C[N@H+](C)CC1CC(C)C1 ZINC001157710278 805856395 /nfs/dbraw/zinc/85/63/95/805856395.db2.gz DRDXREMVKBCWEU-OFLPRAFFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C1CC(C)C1 ZINC001157790964 805871220 /nfs/dbraw/zinc/87/12/20/805871220.db2.gz PSZJVSUBKQESJH-PESDSKBTSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)C1CC(C)C1 ZINC001157790964 805871228 /nfs/dbraw/zinc/87/12/28/805871228.db2.gz PSZJVSUBKQESJH-PESDSKBTSA-N 1 1 298.858 3.098 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC(=C)C ZINC001157999426 805911414 /nfs/dbraw/zinc/91/14/14/805911414.db2.gz JPGGUCLUPUOHOI-MRXNPFEDSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)C(C)C ZINC001158011666 805913182 /nfs/dbraw/zinc/91/31/82/805913182.db2.gz KHQZIUSFVSTSBZ-OAHLLOKOSA-N 1 1 266.429 3.064 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)CCCC#CC ZINC001158357847 805944890 /nfs/dbraw/zinc/94/48/90/805944890.db2.gz QIABDFSTUPDPAT-QGZVFWFLSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)CC(=C)C ZINC001158419118 805952799 /nfs/dbraw/zinc/95/27/99/805952799.db2.gz KZTGQOFNHYTPJX-MRXNPFEDSA-N 1 1 278.440 3.232 20 30 CGEDMO C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H](CC)C(C)C ZINC001158764073 806000507 /nfs/dbraw/zinc/00/05/07/806000507.db2.gz NSFMVEONVVHPCI-IAGOWNOFSA-N 1 1 292.467 3.005 20 30 CGEDMO N#Cc1ccccc1OC1CN(c2cc(C3CC3)cc[nH+]2)C1 ZINC001158772596 806002711 /nfs/dbraw/zinc/00/27/11/806002711.db2.gz FLSKIAWOWDFZHG-UHFFFAOYSA-N 1 1 291.354 3.098 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCN2CCCC[C@@H]2C1 ZINC001252128186 806013332 /nfs/dbraw/zinc/01/33/32/806013332.db2.gz JYKGPIIVIAPIMR-QZTJIDSGSA-N 1 1 296.499 3.268 20 30 CGEDMO CCCCCCCC[C@@H](O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001252128186 806013341 /nfs/dbraw/zinc/01/33/41/806013341.db2.gz JYKGPIIVIAPIMR-QZTJIDSGSA-N 1 1 296.499 3.268 20 30 CGEDMO CCCCCCCC[C@@H](O)CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC001252128186 806013350 /nfs/dbraw/zinc/01/33/50/806013350.db2.gz JYKGPIIVIAPIMR-QZTJIDSGSA-N 1 1 296.499 3.268 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC001252130596 806015359 /nfs/dbraw/zinc/01/53/59/806015359.db2.gz UPEBJKXWTKCTJW-IKGGRYGDSA-N 1 1 283.456 3.209 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@]12CCOC2 ZINC001252130205 806014436 /nfs/dbraw/zinc/01/44/36/806014436.db2.gz NNPHEGWTEDCZMC-IAGOWNOFSA-N 1 1 283.456 3.353 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1C[C@H]2OC[C@@H](C)[C@H]2C1 ZINC001252130170 806014556 /nfs/dbraw/zinc/01/45/56/806014556.db2.gz MSBJTIBELZTTIF-QBPKDAKJSA-N 1 1 283.456 3.065 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCN(C)C(C)(C)C1 ZINC001252129900 806015104 /nfs/dbraw/zinc/01/51/04/806015104.db2.gz GQDOZTBVEMBWMP-INIZCTEOSA-N 1 1 284.488 3.124 20 30 CGEDMO CCCCCCCC[C@H](O)C[NH2+][C@H](C)c1ncc(F)cn1 ZINC001252140267 806024785 /nfs/dbraw/zinc/02/47/85/806024785.db2.gz OIGYQRDSKQXGRT-HIFRSBDPSA-N 1 1 297.418 3.378 20 30 CGEDMO CS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(OCC#N)cc2)C1 ZINC001252280411 806034981 /nfs/dbraw/zinc/03/49/81/806034981.db2.gz QIEHDCHAZNKEMO-GDBMZVCRSA-N 1 1 290.432 3.305 20 30 CGEDMO CCCCCCC[N@@H+](C)C[C@H](O)COCCCC ZINC001252512079 806053585 /nfs/dbraw/zinc/05/35/85/806053585.db2.gz KIDVXEXPRQJGAI-HNNXBMFYSA-N 1 1 259.434 3.066 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1CCSC[C@H]1c1cccc(Cl)c1 ZINC001252561188 806066869 /nfs/dbraw/zinc/06/68/69/806066869.db2.gz YHUZOXRPBWNUHC-GJZGRUSLSA-N 1 1 297.851 3.367 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](Cc1ccccc1)C1CCC1 ZINC001252604352 806082593 /nfs/dbraw/zinc/08/25/93/806082593.db2.gz QQWDREDCFFSXKF-QGZVFWFLSA-N 1 1 259.393 3.368 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[NH2+]Cc1nonc1C ZINC001252983193 806146906 /nfs/dbraw/zinc/14/69/06/806146906.db2.gz SLCTVAILQDZJKK-HNNXBMFYSA-N 1 1 297.443 3.359 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001253234848 806189074 /nfs/dbraw/zinc/18/90/74/806189074.db2.gz GDKUDPFQDZGWNB-VGWMRTNUSA-N 1 1 269.404 3.164 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@H](OCCC)C1 ZINC001253238453 806189683 /nfs/dbraw/zinc/18/96/83/806189683.db2.gz DYPGELLNQPGMKW-IRXDYDNUSA-N 1 1 283.456 3.375 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CC[C@H](N2CCCC2)C1 ZINC001253239993 806190386 /nfs/dbraw/zinc/19/03/86/806190386.db2.gz WVYGMHVNHTXQSR-ROUUACIJSA-N 1 1 294.483 3.044 20 30 CGEDMO C=CCCCCCC[C@H](O)CN1CC[C@H]([NH+]2CCCC2)C1 ZINC001253239993 806190390 /nfs/dbraw/zinc/19/03/90/806190390.db2.gz WVYGMHVNHTXQSR-ROUUACIJSA-N 1 1 294.483 3.044 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCC[C@@H](F)C1 ZINC001253240093 806190807 /nfs/dbraw/zinc/19/08/07/806190807.db2.gz YVLCTZIHVACDPQ-HUUCEWRRSA-N 1 1 257.393 3.308 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCc2ncsc2C1 ZINC001253241711 806192561 /nfs/dbraw/zinc/19/25/61/806192561.db2.gz ZVIFDJMCSKYKFU-CQSZACIVSA-N 1 1 294.464 3.389 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+](C)Cc1c(C)n[nH]c1C ZINC001253238030 806188890 /nfs/dbraw/zinc/18/88/90/806188890.db2.gz ALPNIJGERGDJBV-INIZCTEOSA-N 1 1 293.455 3.346 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)/C=C(/C)CC)CC1 ZINC001160028575 806216865 /nfs/dbraw/zinc/21/68/65/806216865.db2.gz CJSIZFZHFJFBHZ-PEZBUJJGSA-N 1 1 290.451 3.447 20 30 CGEDMO C=C[C@@H](O)C[N@@H+](C[C@H](O)c1ccc2ccccc2c1)C(C)C ZINC001253584169 806263764 /nfs/dbraw/zinc/26/37/64/806263764.db2.gz DWMFVEMNPJYWLI-MOPGFXCFSA-N 1 1 299.414 3.131 20 30 CGEDMO C=C[C@@H](O)C[N@H+]1C[C@H]2C[C@@]2(c2ccc(Cl)c(Cl)c2)C1 ZINC001253586806 806265205 /nfs/dbraw/zinc/26/52/05/806265205.db2.gz RXLRTSIXALSOPK-JMSVASOKSA-N 1 1 298.213 3.114 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)C[C@H]2C=CCCC2)CC1 ZINC001160466097 806275487 /nfs/dbraw/zinc/27/54/87/806275487.db2.gz AUGLVVNGTPLFCT-KRWDZBQOSA-N 1 1 288.435 3.057 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1cc(OCC)cc(Cl)n1 ZINC001160952802 806325585 /nfs/dbraw/zinc/32/55/85/806325585.db2.gz BNGFRZHHXGFHRK-LBPRGKRZSA-N 1 1 295.814 3.196 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)C(C)(C)C(C)(C)C)CC1 ZINC001160928087 806322868 /nfs/dbraw/zinc/32/28/68/806322868.db2.gz YIIWESWGHTUJRT-UHFFFAOYSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1nc(Cl)ccc1C ZINC001160951869 806325850 /nfs/dbraw/zinc/32/58/50/806325850.db2.gz MZRLEGWDQQANMK-LBPRGKRZSA-N 1 1 265.788 3.106 20 30 CGEDMO C=C[C@H](C)[C@H](C)C(=O)NCCC1=CC[N@@H+](CC(=C)C)CC1 ZINC001160940284 806325960 /nfs/dbraw/zinc/32/59/60/806325960.db2.gz AUBSJYSKMNEBTC-HOTGVXAUSA-N 1 1 290.451 3.159 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1CNc1nc(CC)c(C)nc1Cl ZINC001160957083 806328766 /nfs/dbraw/zinc/32/87/66/806328766.db2.gz DZLPHEKIIXABJD-LBPRGKRZSA-N 1 1 294.830 3.063 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1nc(CC)c(C)nc1Cl ZINC001160957083 806328772 /nfs/dbraw/zinc/32/87/72/806328772.db2.gz DZLPHEKIIXABJD-LBPRGKRZSA-N 1 1 294.830 3.063 20 30 CGEDMO CCCCCCC[N@@H+]1C[C@@H](O)C[C@H]1c1nnc(C2CC2)o1 ZINC001254096991 806341290 /nfs/dbraw/zinc/34/12/90/806341290.db2.gz GFKJVKAYAHZXMK-KBPBESRZSA-N 1 1 293.411 3.025 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](O)C[C@H]1c1nnc(C2CC2)o1 ZINC001254096991 806341302 /nfs/dbraw/zinc/34/13/02/806341302.db2.gz GFKJVKAYAHZXMK-KBPBESRZSA-N 1 1 293.411 3.025 20 30 CGEDMO C=CCCCC(=O)NCCC1=CC[N@@H+](CCCC=C)CC1 ZINC001161061880 806344605 /nfs/dbraw/zinc/34/46/05/806344605.db2.gz FUJYMUNWIFBURD-UHFFFAOYSA-N 1 1 290.451 3.447 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)C2(C)CC(=C)C2)CC1 ZINC001161173837 806354727 /nfs/dbraw/zinc/35/47/27/806354727.db2.gz UTAMITFZKHNIJR-UHFFFAOYSA-N 1 1 288.435 3.057 20 30 CGEDMO N#Cc1ccccc1OC1C[NH+](C2CCC(F)(F)CC2)C1 ZINC001254232697 806372688 /nfs/dbraw/zinc/37/26/88/806372688.db2.gz WXRBTGVFACMTRW-UHFFFAOYSA-N 1 1 292.329 3.199 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H](CC)CCC)CC1 ZINC001161579253 806395210 /nfs/dbraw/zinc/39/52/10/806395210.db2.gz PKYZECVTNLSIRJ-INIZCTEOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)C2(CC)CCCC2)CC1 ZINC001161611208 806399222 /nfs/dbraw/zinc/39/92/22/806399222.db2.gz QCBOVLQGZRLLCW-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CCn1ccc2c1nc[nH+]c2NC1Cc2ccccc2C1 ZINC001161756101 806446283 /nfs/dbraw/zinc/44/62/83/806446283.db2.gz BGGHWKDLURWIMZ-UHFFFAOYSA-N 1 1 290.370 3.197 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([NH2+]Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC001254657838 806477232 /nfs/dbraw/zinc/47/72/32/806477232.db2.gz RNZKBUDRHDCBEJ-BXUZGUMPSA-N 1 1 285.322 3.263 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(NCc2cnn(C)c2)cc1 ZINC001161856587 806473596 /nfs/dbraw/zinc/47/35/96/806473596.db2.gz FDDLCZNLPTUVAA-SFHVURJKSA-N 1 1 296.418 3.355 20 30 CGEDMO C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)[C@@H](C)CN1Cc1ccccc1 ZINC001254660727 806478640 /nfs/dbraw/zinc/47/86/40/806478640.db2.gz LHOJKZMQEVSADS-UKBAYJJMSA-N 1 1 297.446 3.273 20 30 CGEDMO C[C@@H]1CN([C@@H]2CC[C@@H](C#N)C2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001254660727 806478644 /nfs/dbraw/zinc/47/86/44/806478644.db2.gz LHOJKZMQEVSADS-UKBAYJJMSA-N 1 1 297.446 3.273 20 30 CGEDMO C[C@@H]1CN([C@@H]2CC[C@@H](C#N)C2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001254660727 806478648 /nfs/dbraw/zinc/47/86/48/806478648.db2.gz LHOJKZMQEVSADS-UKBAYJJMSA-N 1 1 297.446 3.273 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](Sc3ccncc3)C2)C1 ZINC001254669909 806479286 /nfs/dbraw/zinc/47/92/86/806479286.db2.gz WUVPRNHTBBGAHK-FMKPAKJESA-N 1 1 287.432 3.330 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)C1 ZINC001254665912 806479692 /nfs/dbraw/zinc/47/96/92/806479692.db2.gz RKQZZLQOHCZYMP-DZVNLGKHSA-N 1 1 288.435 3.206 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCCC3(CC(F)C3)CC2)C1 ZINC001254670404 806481982 /nfs/dbraw/zinc/48/19/82/806481982.db2.gz JJCGOLZVVIVYQW-FEWQNLEASA-N 1 1 250.361 3.283 20 30 CGEDMO COc1ccccc1C[C@H](C)[N@@H+](C)[C@H]1CC[C@@H](C#N)C1 ZINC001254673656 806483150 /nfs/dbraw/zinc/48/31/50/806483150.db2.gz MVHKGHVSMQNOTN-LZWOXQAQSA-N 1 1 272.392 3.250 20 30 CGEDMO COc1cccc([C@@H]2CC[N@H+]([C@H]3CC[C@H](C#N)C3)C2)c1 ZINC001254675965 806483416 /nfs/dbraw/zinc/48/34/16/806483416.db2.gz HDNAKYWSPADOAJ-IMJJTQAJSA-N 1 1 270.376 3.177 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)C1 ZINC001254674403 806483498 /nfs/dbraw/zinc/48/34/98/806483498.db2.gz YNWKNCWRJGZRJF-APIJFGDWSA-N 1 1 252.361 3.265 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254958023 806520108 /nfs/dbraw/zinc/52/01/08/806520108.db2.gz ZKUPHQCZZIGQEK-FVQHAEBGSA-N 1 1 269.388 3.432 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl ZINC001255157460 806558007 /nfs/dbraw/zinc/55/80/07/806558007.db2.gz QWJISYMNYCQDNG-JOYOIKCWSA-N 1 1 287.190 3.309 20 30 CGEDMO CC[C@H](CC#N)[NH2+]C1(c2ccccc2OC)CCC1 ZINC001255161132 806559416 /nfs/dbraw/zinc/55/94/16/806559416.db2.gz UZLVWCGAHLMKCK-CYBMUJFWSA-N 1 1 258.365 3.356 20 30 CGEDMO CC[C@H](CC#N)[N@@H+]1CCC[C@@H]1c1ccc(C(=O)OC)cc1 ZINC001255177956 806570664 /nfs/dbraw/zinc/57/06/64/806570664.db2.gz ZCXMJTDZUJRWCK-HZPDHXFCSA-N 1 1 286.375 3.302 20 30 CGEDMO CC[C@H](CC#N)[N@H+]1CCC[C@@H]1c1ccc(C(=O)OC)cc1 ZINC001255177956 806570673 /nfs/dbraw/zinc/57/06/73/806570673.db2.gz ZCXMJTDZUJRWCK-HZPDHXFCSA-N 1 1 286.375 3.302 20 30 CGEDMO C=CCCCC[N@H+](C)[C@@H]1CCC[C@@H](C(=O)OCC)C1 ZINC001255370573 806626500 /nfs/dbraw/zinc/62/65/00/806626500.db2.gz MSDMUZQVCOJHEC-HUUCEWRRSA-N 1 1 267.413 3.396 20 30 CGEDMO N#C[C@H]1CCCN([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255404034 806634901 /nfs/dbraw/zinc/63/49/01/806634901.db2.gz IKWQJMXJRXVZNZ-RTBURBONSA-N 1 1 297.446 3.277 20 30 CGEDMO C[C@H](c1ccccc1)N(C1=CC(=O)CCC1)[C@H]1CC[N@@H+](C)C1 ZINC001255443566 806639524 /nfs/dbraw/zinc/63/95/24/806639524.db2.gz PUQLJEWQZHNIOT-QAPCUYQASA-N 1 1 298.430 3.391 20 30 CGEDMO CCCC#Cc1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255445879 806641284 /nfs/dbraw/zinc/64/12/84/806641284.db2.gz PRGFNFVUYIQQBN-MRXNPFEDSA-N 1 1 295.386 3.211 20 30 CGEDMO CS[C@H]1CC[C@@H]([N@@H+](C)CCOc2ccc(C#N)cc2)C1 ZINC000075920384 798924300 /nfs/dbraw/zinc/92/43/00/798924300.db2.gz CCNIVDMQOHYRTD-ZBFHGGJFSA-N 1 1 290.432 3.153 20 30 CGEDMO C[C@@H](CSc1ccc(F)cc1)[N@@H+]1CC[C@H](C#N)C1 ZINC001255745767 806732547 /nfs/dbraw/zinc/73/25/47/806732547.db2.gz ZMCHTAFMPUPYLB-NWDGAFQWSA-N 1 1 264.369 3.152 20 30 CGEDMO C[C@@H](CSc1ccc(F)cc1)[N@H+]1CC[C@H](C#N)C1 ZINC001255745767 806732552 /nfs/dbraw/zinc/73/25/52/806732552.db2.gz ZMCHTAFMPUPYLB-NWDGAFQWSA-N 1 1 264.369 3.152 20 30 CGEDMO C#C[C@](C)(CC)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000384133896 799411753 /nfs/dbraw/zinc/41/17/53/799411753.db2.gz CZFYXLSWPDNFPP-CYBMUJFWSA-N 1 1 266.728 3.140 20 30 CGEDMO CCCCCCCCN1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC000403311827 799565391 /nfs/dbraw/zinc/56/53/91/799565391.db2.gz XYAIDLCQUNLUHM-ZDUSSCGKSA-N 1 1 262.388 3.263 20 30 CGEDMO C[C@@H]([NH2+][C@@H](C)c1cscn1)c1ccc(OCC#N)cc1 ZINC000697880637 799850732 /nfs/dbraw/zinc/85/07/32/799850732.db2.gz BFKZZMUBAZKPAV-NEPJUHHUSA-N 1 1 287.388 3.457 20 30 CGEDMO COc1cc(C[N@@H+](C)[C@@H]2CC[C@H](SC)C2)ccc1C#N ZINC000708305701 799985883 /nfs/dbraw/zinc/98/58/83/799985883.db2.gz YDBOMCQGBDZVAQ-CABCVRRESA-N 1 1 290.432 3.283 20 30 CGEDMO C[C@]1(C(F)(F)F)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000708719698 799993528 /nfs/dbraw/zinc/99/35/28/799993528.db2.gz MSSCPCMGEAREAV-ZDUSSCGKSA-N 1 1 286.272 3.472 20 30 CGEDMO C[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000708719698 799993534 /nfs/dbraw/zinc/99/35/34/799993534.db2.gz MSSCPCMGEAREAV-ZDUSSCGKSA-N 1 1 286.272 3.472 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](c3nccs3)C2)c1F ZINC000710357911 800033325 /nfs/dbraw/zinc/03/33/25/800033325.db2.gz CEFVAHKVYSLKGR-CYBMUJFWSA-N 1 1 287.363 3.143 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)Cc2ccc(OC)c(O)c2)cc1 ZINC000809552391 800446114 /nfs/dbraw/zinc/44/61/14/800446114.db2.gz SLTXUPQQTUULTK-UHFFFAOYSA-N 1 1 281.355 3.014 20 30 CGEDMO C#CC[N@@H+](C[C@@H](O)c1ccc(C(F)(F)F)cc1)C(C)C ZINC000932387679 800664483 /nfs/dbraw/zinc/66/44/83/800664483.db2.gz IGCFJKLGYBHJAI-CQSZACIVSA-N 1 1 285.309 3.082 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC3(C)C)CCC[C@H]12 ZINC000992130830 800694659 /nfs/dbraw/zinc/69/46/59/800694659.db2.gz LXAZTOVAJZGLSD-RVKKMQEKSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C)cc2)[C@H]1C ZINC000994292618 800695683 /nfs/dbraw/zinc/69/56/83/800695683.db2.gz YJUWUEHLZPQRRK-NVXWUHKLSA-N 1 1 286.419 3.154 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](CNC(=O)C2CCC(=C)CC2)C1 ZINC001023573013 800711185 /nfs/dbraw/zinc/71/11/85/800711185.db2.gz RDZXTGAKNRYUMV-INIZCTEOSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC2(C)C)C1 ZINC001023544185 800712211 /nfs/dbraw/zinc/71/22/11/800712211.db2.gz BOKMNSIRYNVNAQ-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(C)c1 ZINC001024312522 800724828 /nfs/dbraw/zinc/72/48/28/800724828.db2.gz JXRPBXYNBKVFLQ-KRWDZBQOSA-N 1 1 286.419 3.155 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1csc(C)c1C ZINC001024457715 800728502 /nfs/dbraw/zinc/72/85/02/800728502.db2.gz PXTNMVMUTDYAGX-AWEZNQCLSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001024438569 800728927 /nfs/dbraw/zinc/72/89/27/800728927.db2.gz RIBSLBVGEASVBP-CVEARBPZSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)C1CCC2(CC2)CC1 ZINC001024558944 800729813 /nfs/dbraw/zinc/72/98/13/800729813.db2.gz PHKXEBSITVJDSE-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CCC)CC1 ZINC001024631272 800732177 /nfs/dbraw/zinc/73/21/77/800732177.db2.gz JFMOKFGESPAWQC-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1occc1C(C)C ZINC001024615474 800732644 /nfs/dbraw/zinc/73/26/44/800732644.db2.gz UGTZNDWNMOEIPB-AWEZNQCLSA-N 1 1 290.407 3.173 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C=C(C)C ZINC001025190021 800747646 /nfs/dbraw/zinc/74/76/46/800747646.db2.gz UXUGXTWUBDHRCK-DLBZAZTESA-N 1 1 290.451 3.374 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)C ZINC001025203932 800748602 /nfs/dbraw/zinc/74/86/02/800748602.db2.gz KRVZKZAIISCRSK-SJORKVTESA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCC1CC1 ZINC001025214087 800750270 /nfs/dbraw/zinc/75/02/70/800750270.db2.gz UDSGNMTYRYLZBY-IAGOWNOFSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[N@@H+]2CC)C1 ZINC001025270046 800753684 /nfs/dbraw/zinc/75/36/84/800753684.db2.gz ZVUFEWUSPLNTAO-JKSUJKDBSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CCCCC2)C1 ZINC001025320374 800755476 /nfs/dbraw/zinc/75/54/76/800755476.db2.gz LMKFRBRVVCNTEX-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CCCCCC2)C1 ZINC001025362484 800758604 /nfs/dbraw/zinc/75/86/04/800758604.db2.gz XKYKOJSJGSWBAO-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(C)cc2)C1 ZINC001025603900 800764378 /nfs/dbraw/zinc/76/43/78/800764378.db2.gz YXPBTPJUSXASQN-RDJZCZTQSA-N 1 1 286.419 3.011 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)CC2CCCCC2)C1 ZINC001027288510 800789732 /nfs/dbraw/zinc/78/97/32/800789732.db2.gz YPOXBBIVBMDOTN-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)C2CCC2)C1 ZINC001027460725 800796993 /nfs/dbraw/zinc/79/69/93/800796993.db2.gz NZLAEMQZEKBNFR-DZGCQCFKSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)C2CCC2)C1 ZINC001027460725 800796996 /nfs/dbraw/zinc/79/69/96/800796996.db2.gz NZLAEMQZEKBNFR-DZGCQCFKSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)C2(C(C)C)CC2)C1 ZINC001027567618 800803610 /nfs/dbraw/zinc/80/36/10/800803610.db2.gz YNISGTVEUVEKKQ-AWEZNQCLSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)C2(C(C)C)CC2)C1 ZINC001027567618 800803619 /nfs/dbraw/zinc/80/36/19/800803619.db2.gz YNISGTVEUVEKKQ-AWEZNQCLSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001027584872 800805983 /nfs/dbraw/zinc/80/59/83/800805983.db2.gz VBFXUACSXJBUHB-BRWVUGGUSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(C)cc2)C1 ZINC001027660170 800809195 /nfs/dbraw/zinc/80/91/95/800809195.db2.gz HORCOKNEWAIYJX-KRWDZBQOSA-N 1 1 286.419 3.108 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C=C)c2ccccc2)C1 ZINC001027690638 800810363 /nfs/dbraw/zinc/81/03/63/800810363.db2.gz HLCCSDBLVLEQHE-ROUUACIJSA-N 1 1 298.430 3.065 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001027698109 800813954 /nfs/dbraw/zinc/81/39/54/800813954.db2.gz CRLSOSOKRWUYLB-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1oc(C)cc1C ZINC001027814659 800821726 /nfs/dbraw/zinc/82/17/26/800821726.db2.gz BYSDRIGRVARDPI-OAHLLOKOSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H]1CNC(=O)C1=CCCCCC1 ZINC001027842485 800822607 /nfs/dbraw/zinc/82/26/07/800822607.db2.gz HTQMTCSZFHKMGY-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1sccc1Cl ZINC001027900357 800826379 /nfs/dbraw/zinc/82/63/79/800826379.db2.gz FCAXBRHPGMAKEH-NSHDSACASA-N 1 1 298.839 3.172 20 30 CGEDMO CC#CC[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1C(C)C ZINC001027918241 800826620 /nfs/dbraw/zinc/82/66/20/800826620.db2.gz LBRMDANWESGNOA-INIZCTEOSA-N 1 1 298.430 3.028 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1Cl ZINC001028276566 800838928 /nfs/dbraw/zinc/83/89/28/800838928.db2.gz KRNNNHKKZPLDOB-ZDUSSCGKSA-N 1 1 292.810 3.110 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](CNC(=O)c2cscc2Cl)C1 ZINC001028614826 800850812 /nfs/dbraw/zinc/85/08/12/800850812.db2.gz CQDLOEKODZTXPZ-NSHDSACASA-N 1 1 298.839 3.029 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](CNC(=O)c2coc3ccccc23)C1 ZINC001029020071 800857333 /nfs/dbraw/zinc/85/73/33/800857333.db2.gz NXJXNLDZNWJFNT-CQSZACIVSA-N 1 1 298.386 3.061 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](C)F ZINC001029419611 800868205 /nfs/dbraw/zinc/86/82/05/800868205.db2.gz HOXHYWUFHZIICY-SOUVJXGZSA-N 1 1 296.430 3.012 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)C2CC2)C1 ZINC001029918440 800879177 /nfs/dbraw/zinc/87/91/77/800879177.db2.gz DAOQSAFKDVXIKJ-SFHVURJKSA-N 1 1 298.430 3.076 20 30 CGEDMO C=CCC[NH+]1CC(NC(=O)C[C@@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC001031112366 800903428 /nfs/dbraw/zinc/90/34/28/800903428.db2.gz VDPGPDHLEURZJT-CABCVRRESA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)c2cc(C(C)C)oc2C)C1 ZINC001031186507 800904825 /nfs/dbraw/zinc/90/48/25/800904825.db2.gz CYNRQLNEWGEVEM-UHFFFAOYSA-N 1 1 290.407 3.092 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccsc2C)C1 ZINC001033065211 800950958 /nfs/dbraw/zinc/95/09/58/800950958.db2.gz LXHZVZWGAHJKOL-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2occc2Cl)C1 ZINC001033393371 800962316 /nfs/dbraw/zinc/96/23/16/800962316.db2.gz OZTJXSLZTQJHAF-GFCCVEGCSA-N 1 1 296.798 3.046 20 30 CGEDMO C=C1CC(C)(C(=O)N(C)[C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC001033393380 800962855 /nfs/dbraw/zinc/96/28/55/800962855.db2.gz IMBVHKGLFZAXTA-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccsc2Cl)C1 ZINC001033475518 800965380 /nfs/dbraw/zinc/96/53/80/800965380.db2.gz QERVXTHZVBWBHM-LLVKDONJSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(Cl)c2)C1 ZINC001033605312 800969934 /nfs/dbraw/zinc/96/99/34/800969934.db2.gz FHOHERXGBFOLNN-HNNXBMFYSA-N 1 1 292.810 3.062 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C)ccc2C)C1 ZINC001033617198 800972075 /nfs/dbraw/zinc/97/20/75/800972075.db2.gz NLOUCFZQVLGLAT-MRXNPFEDSA-N 1 1 286.419 3.026 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC001033710845 800977591 /nfs/dbraw/zinc/97/75/91/800977591.db2.gz KEGAYUUHDCMSFU-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2coc3ccccc32)C1 ZINC001033711185 800977614 /nfs/dbraw/zinc/97/76/14/800977614.db2.gz RZIBVHGKTXGWKK-CQSZACIVSA-N 1 1 298.386 3.155 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)C2CCCCC2)C1 ZINC001033738498 800980238 /nfs/dbraw/zinc/98/02/38/800980238.db2.gz VTQCIVKZTRFGHD-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc(C)c2)C1 ZINC001033737385 800980738 /nfs/dbraw/zinc/98/07/38/800980738.db2.gz NXIWMSOCNZSKIU-KRWDZBQOSA-N 1 1 286.419 3.108 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccoc2C)C1 ZINC001033742299 800981101 /nfs/dbraw/zinc/98/11/01/800981101.db2.gz IZSMOOYOJVIPOV-HNNXBMFYSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(C)oc2C)C1 ZINC001033750487 800981756 /nfs/dbraw/zinc/98/17/56/800981756.db2.gz SFLZYXTXFXEKFW-OAHLLOKOSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(Cl)o2)C1 ZINC001033751011 800982365 /nfs/dbraw/zinc/98/23/65/800982365.db2.gz ZWXFMWARQKTIQM-LBPRGKRZSA-N 1 1 296.798 3.046 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(C)oc2C)C1 ZINC001033749480 800982393 /nfs/dbraw/zinc/98/23/93/800982393.db2.gz IKISSYBUHVPIAD-OAHLLOKOSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(C)c(C)o2)C1 ZINC001033802887 800983667 /nfs/dbraw/zinc/98/36/67/800983667.db2.gz OHXZCRVXQNLUBN-HNNXBMFYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=C1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001033944523 800990542 /nfs/dbraw/zinc/99/05/42/800990542.db2.gz GYOPPUVLJXPMEW-QGZVFWFLSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001034021032 800995619 /nfs/dbraw/zinc/99/56/19/800995619.db2.gz RJCMSDRLYAPEIS-ULQDDVLXSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)C2CCCC2)C1 ZINC001034069354 801000536 /nfs/dbraw/zinc/00/05/36/801000536.db2.gz NFNQQGIZZHWZKY-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@H+]1CCCC[C@H](NC(=O)CC2CCCCC2)C1 ZINC001034092686 801004797 /nfs/dbraw/zinc/00/47/97/801004797.db2.gz RULNESZNXJBSCL-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001034153409 801007547 /nfs/dbraw/zinc/00/75/47/801007547.db2.gz CJKGEHVRZUWKAL-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)C=C2CCC2)C1 ZINC001034158559 801009124 /nfs/dbraw/zinc/00/91/24/801009124.db2.gz GRCYTBAFAQCJGM-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccoc2Cl)C1 ZINC001034186435 801009975 /nfs/dbraw/zinc/00/99/75/801009975.db2.gz JLGCHJGLQMRHRM-GFCCVEGCSA-N 1 1 296.798 3.093 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)C[C@H]2C=CCCC2)C1 ZINC001034265726 801014156 /nfs/dbraw/zinc/01/41/56/801014156.db2.gz LRFCCFHRQAOECL-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001034263724 801015214 /nfs/dbraw/zinc/01/52/14/801015214.db2.gz BLQQYFZBUALSBQ-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2occc2Cl)C1 ZINC001034380399 801023047 /nfs/dbraw/zinc/02/30/47/801023047.db2.gz IRBORPRZXVZVSP-GFCCVEGCSA-N 1 1 296.798 3.093 20 30 CGEDMO C=CC[N@H+]1CCCC[C@H](NC(=O)C23CCC(CC2)CC3)C1 ZINC001034531375 801031174 /nfs/dbraw/zinc/03/11/74/801031174.db2.gz GYVOCHRIPCGRHO-PQUAAJSLSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2CN(C(=O)C3CCCCCC3)CC[C@@H]21 ZINC001036665570 801086081 /nfs/dbraw/zinc/08/60/81/801086081.db2.gz VVIXYOKZTGVNNZ-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)CC3CCC3)CC[C@@H]21 ZINC001036677977 801088718 /nfs/dbraw/zinc/08/87/18/801088718.db2.gz JLRONELQYUOILZ-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CN(C(=O)CCC3CCC3)CC[C@@H]21 ZINC001036681317 801088980 /nfs/dbraw/zinc/08/89/80/801088980.db2.gz KQFNQQKIPPDHAC-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2CN(C(=O)C3(C)CCCC3)CC[C@H]21 ZINC001036784290 801089917 /nfs/dbraw/zinc/08/99/17/801089917.db2.gz LSAUZYMLGYYGSC-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C=C)cc3)CC[C@@H]21 ZINC001036824659 801093321 /nfs/dbraw/zinc/09/33/21/801093321.db2.gz ASCSFQSKMGNDCA-MSOLQXFVSA-N 1 1 296.414 3.052 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C)cc(C)c3)CC[C@H]21 ZINC001036878729 801093531 /nfs/dbraw/zinc/09/35/31/801093531.db2.gz AZSLKQOUHSYTSR-SJLPKXTDSA-N 1 1 298.430 3.026 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1coc2c1cccc2C ZINC001038345387 801124332 /nfs/dbraw/zinc/12/43/32/801124332.db2.gz AGJAMDQVWFBQSC-CQSZACIVSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1ccc(Cl)c(C)c1 ZINC001038662946 801130970 /nfs/dbraw/zinc/13/09/70/801130970.db2.gz MDINMRGZANFLMP-AWEZNQCLSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)c1c(C)cccc1C ZINC001038737349 801132352 /nfs/dbraw/zinc/13/23/52/801132352.db2.gz YZCHLZGRIGELPK-MRXNPFEDSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)C(CC)CC)CC2)C1 ZINC001039107010 801147829 /nfs/dbraw/zinc/14/78/29/801147829.db2.gz CHQRQQPZYUDDHS-KRWDZBQOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CCCCC1 ZINC001039327014 801158170 /nfs/dbraw/zinc/15/81/70/801158170.db2.gz VGLLHZRSZIRDND-SJORKVTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)CC(C)C)C2)C1 ZINC001040047572 801171483 /nfs/dbraw/zinc/17/14/83/801171483.db2.gz VCTICAFZOWHBTJ-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)CC(C)(C)C)C2)C1 ZINC001040059673 801172026 /nfs/dbraw/zinc/17/20/26/801172026.db2.gz NSAMNSBHXZFWAW-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C)CC)C2)C1 ZINC001040083946 801172684 /nfs/dbraw/zinc/17/26/84/801172684.db2.gz RWLDZANOVVQGNZ-AEFFLSMTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)C3(C)CC3)C2)C1 ZINC001040222090 801175287 /nfs/dbraw/zinc/17/52/87/801175287.db2.gz ANLRLEDJQIWXLP-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](F)CC)C2)C1 ZINC001040332479 801175349 /nfs/dbraw/zinc/17/53/49/801175349.db2.gz QNRHTAIYEFFPPC-NVXWUHKLSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(CCN(C(=O)C3CCCCC3)C2)C1 ZINC001041031357 801184252 /nfs/dbraw/zinc/18/42/52/801184252.db2.gz SIMBGKJEBYQZEC-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@]2(CC[N@H+](CC=C(C)C)C2)C1 ZINC001041540153 801189809 /nfs/dbraw/zinc/18/98/09/801189809.db2.gz LHRKJTJKRKJVAG-SFHVURJKSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)CC(C)(C)C)C[C@H]21 ZINC001041927042 801197193 /nfs/dbraw/zinc/19/71/93/801197193.db2.gz GUKUMBCATQXAII-UONOGXRCSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)CC(C)(C)C)C[C@H]21 ZINC001041927042 801197197 /nfs/dbraw/zinc/19/71/97/801197197.db2.gz GUKUMBCATQXAII-UONOGXRCSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)C(C)C)C[C@H]21 ZINC001042073233 801200992 /nfs/dbraw/zinc/20/09/92/801200992.db2.gz POZZLHSZUGYCBN-JKSUJKDBSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](CC(C)C)[C@H]2C1 ZINC001042185235 801201434 /nfs/dbraw/zinc/20/14/34/801201434.db2.gz RANRYMKKSJJPOC-HOTGVXAUSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[NH+]1CC(N(C)C(=O)C2(C)CCCCCC2)C1 ZINC001042947909 801214806 /nfs/dbraw/zinc/21/48/06/801214806.db2.gz LYNXVPQWOMPWOV-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)c2ccccc2)CC1 ZINC001045350754 801270877 /nfs/dbraw/zinc/27/08/77/801270877.db2.gz YNLOACSWUGNUKW-UHFFFAOYSA-N 1 1 292.810 3.023 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)c1ccccc1)C2 ZINC001045911191 801291268 /nfs/dbraw/zinc/29/12/68/801291268.db2.gz YDEYQGSXYXWRHO-IBGZPJMESA-N 1 1 298.430 3.191 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)c2cscc2C)C1 ZINC001046219316 801303323 /nfs/dbraw/zinc/30/33/23/801303323.db2.gz COONBEOUERVZLN-MRXNPFEDSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)c2csc(C)c2C)C1 ZINC001046344086 801309430 /nfs/dbraw/zinc/30/94/30/801309430.db2.gz HUOLHTPXRCFZQJ-MRXNPFEDSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2scc(C)c2Cl)C1 ZINC001046341141 801310219 /nfs/dbraw/zinc/31/02/19/801310219.db2.gz DOWIVUBLUNUUKZ-CQSZACIVSA-N 1 1 298.839 3.090 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2cc(C(C)C)oc2C)C1 ZINC001046739059 801320812 /nfs/dbraw/zinc/32/08/12/801320812.db2.gz IHFBNZMPNSAHIQ-QGZVFWFLSA-N 1 1 290.407 3.092 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)c2csc(C)c2)C1 ZINC001046704574 801321593 /nfs/dbraw/zinc/32/15/93/801321593.db2.gz UBRPBHNOJSOTGB-MRXNPFEDSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(Cl)cc2)C1 ZINC001046789740 801325365 /nfs/dbraw/zinc/32/53/65/801325365.db2.gz ULRNGBSGXSGHPU-MRXNPFEDSA-N 1 1 292.810 3.110 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001046862764 801330700 /nfs/dbraw/zinc/33/07/00/801330700.db2.gz POKDBUJRYOTDET-QAPCUYQASA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)c2cc3c(cccc3C)o2)C1 ZINC001046862347 801330776 /nfs/dbraw/zinc/33/07/76/801330776.db2.gz HPWRZZXUELXSME-SFHVURJKSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccccc1)C2 ZINC001048497359 801349116 /nfs/dbraw/zinc/34/91/16/801349116.db2.gz FOLBXOXATCMMJK-VBUUOAMHSA-N 1 1 298.430 3.236 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC(C)C1 ZINC001049405626 801372105 /nfs/dbraw/zinc/37/21/05/801372105.db2.gz JYJKDQUZLVGGPA-GQGLESIBSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC1(C)C ZINC001049424408 801372650 /nfs/dbraw/zinc/37/26/50/801372650.db2.gz DIRJBUXPARSHKI-OWCLPIDISA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1CC ZINC001049739198 801386604 /nfs/dbraw/zinc/38/66/04/801386604.db2.gz XVKWYTKBOFPCDV-VQHPVUNQSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H](C)c1ccccc1 ZINC001049849265 801388064 /nfs/dbraw/zinc/38/80/64/801388064.db2.gz RTUKKKSPCSGMNL-JQHSSLGASA-N 1 1 298.430 3.041 20 30 CGEDMO C=C[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC)c1ccccc1 ZINC001049907636 801392549 /nfs/dbraw/zinc/39/25/49/801392549.db2.gz DNASCOWJQQNCNA-BZSNNMDCSA-N 1 1 298.430 3.041 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)c(C)o2)CC1 ZINC001052313904 801430692 /nfs/dbraw/zinc/43/06/92/801430692.db2.gz IXOQXFRXTNQACV-HNNXBMFYSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccsc2C)CC1 ZINC001052360441 801433357 /nfs/dbraw/zinc/43/33/57/801433357.db2.gz NLTLXFNGIUVXRF-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC3(CC3)C2)CC1 ZINC001052379557 801433541 /nfs/dbraw/zinc/43/35/41/801433541.db2.gz OXRNAZBNWJZXRH-CVEARBPZSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3occc3c2)CC1 ZINC001052401179 801434822 /nfs/dbraw/zinc/43/48/22/801434822.db2.gz JPCXNMFOOHQOKD-MRXNPFEDSA-N 1 1 298.386 3.203 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@]2(C)CC=CCC2)CC1 ZINC001052412115 801435030 /nfs/dbraw/zinc/43/50/30/801435030.db2.gz PVEGCFKEYPENEB-FUHWJXTLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C23CCC(CC2)C3)CC1 ZINC001052499083 801437349 /nfs/dbraw/zinc/43/73/49/801437349.db2.gz NKROGUUOYOTROS-UPTPFMHGSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CC=CCC2)CC1 ZINC001052624655 801440263 /nfs/dbraw/zinc/44/02/63/801440263.db2.gz MXVIQCPWHWYOTA-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C2CC3(CCC3)C2)CC1 ZINC001052631051 801443225 /nfs/dbraw/zinc/44/32/25/801443225.db2.gz MTCBSZPHWGOEMR-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](CC=C(C)C)CC2)C1 ZINC001052693242 801446348 /nfs/dbraw/zinc/44/63/48/801446348.db2.gz QAJNZPQGBZAAFO-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C2(C)CC=CC2)CC1 ZINC001052682751 801447340 /nfs/dbraw/zinc/44/73/40/801447340.db2.gz YTSXUCVVBLQHLM-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC)C2)C1 ZINC001052996590 801460134 /nfs/dbraw/zinc/46/01/34/801460134.db2.gz KHKYSXYPLUPQSF-IAGOWNOFSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC(C)C)C1 ZINC001053062877 801466259 /nfs/dbraw/zinc/46/62/59/801466259.db2.gz DNAITMXXZPAAFT-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@@]2(CC[N@H+](C(C)C)C2)C1 ZINC001054192207 801478137 /nfs/dbraw/zinc/47/81/37/801478137.db2.gz RGWCSWJZRNIYHV-MSOLQXFVSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2occc2C)CC[C@H]1C ZINC001071351896 801532917 /nfs/dbraw/zinc/53/29/17/801532917.db2.gz JVBFWSJRKUWHDX-HUUCEWRRSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)C=C2CCC2)CC[C@@H]1C ZINC001071423332 801536451 /nfs/dbraw/zinc/53/64/51/801536451.db2.gz AXYUVWALQPWEHP-GOEBONIOSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2coc(C)c2)CC[C@@H]1C ZINC001071459171 801537150 /nfs/dbraw/zinc/53/71/50/801537150.db2.gz AWYZRGVBLXDTTL-BBRMVZONSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2c(C)coc2C)CC[C@@H]1C ZINC001071478826 801539194 /nfs/dbraw/zinc/53/91/94/801539194.db2.gz YWZXPLCNDNRYFP-ZFWWWQNUSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C)cs2)CC[C@H]1C ZINC001071476380 801539528 /nfs/dbraw/zinc/53/95/28/801539528.db2.gz FZUYRXMXXFMNSI-KGLIPLIRSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C2CC3(CCC3)C2)CC[C@H]1C ZINC001071743270 801549701 /nfs/dbraw/zinc/54/97/01/801549701.db2.gz YMJSTTIPVVSXTQ-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C2(C)CCCCC2)CC[C@@H]1C ZINC001071792020 801551188 /nfs/dbraw/zinc/55/11/88/801551188.db2.gz CICWURHCTOXTCK-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2cc(C)c(C)s2)CC[C@@H]1C ZINC001072058343 801563845 /nfs/dbraw/zinc/56/38/45/801563845.db2.gz KRNDPBAUXFNQLX-GXTWGEPZSA-N 1 1 292.448 3.134 20 30 CGEDMO C=C(C)C[N@H+]1CCC2(CN(C(=O)CC3CCCCC3)C2)C1 ZINC001072439149 801571037 /nfs/dbraw/zinc/57/10/37/801571037.db2.gz GIFGCPCEBPLMEJ-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C)cc(C)c3)[C@@H]2C1 ZINC001076498974 801619778 /nfs/dbraw/zinc/61/97/78/801619778.db2.gz PKXGIXRNJCJRCY-FUHWJXTLSA-N 1 1 298.430 3.026 20 30 CGEDMO N#C[C@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)CC1 ZINC001256610190 806924935 /nfs/dbraw/zinc/92/49/35/806924935.db2.gz YALJXMPKDCYIBO-KRWDZBQOSA-N 1 1 297.446 3.277 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001081018740 801658828 /nfs/dbraw/zinc/65/88/28/801658828.db2.gz LNMQKORTDLEJJJ-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[N@@H+](CC(=C)C)[C@H]2C1 ZINC001085024131 801675171 /nfs/dbraw/zinc/67/51/71/801675171.db2.gz XSFYCCCUERTPDP-SOLBZPMBSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1sccc1C ZINC001085460002 801687173 /nfs/dbraw/zinc/68/71/73/801687173.db2.gz VTJVGVWSELSPTD-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(Cl)o1 ZINC001085488165 801692025 /nfs/dbraw/zinc/69/20/25/801692025.db2.gz STEWJQKUIAWBGM-GFCCVEGCSA-N 1 1 296.798 3.046 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC(C)=C(C)C1 ZINC001085612654 801699581 /nfs/dbraw/zinc/69/95/81/801699581.db2.gz WWFMXPQFJUDKEC-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@]12C[C@H]1CCCC2 ZINC001085807320 801707641 /nfs/dbraw/zinc/70/76/41/801707641.db2.gz DSINDPBMTXJIKF-JFIYKMOQSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)cc(C)c1 ZINC001085943915 801712058 /nfs/dbraw/zinc/71/20/58/801712058.db2.gz UYCCJXQEMAEXCU-QGZVFWFLSA-N 1 1 286.419 3.026 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(C)c2)[C@H]1CC ZINC001087492734 801752593 /nfs/dbraw/zinc/75/25/93/801752593.db2.gz NUWLZIIBUMVAMU-DLBZAZTESA-N 1 1 286.419 3.154 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)=C2CCC2)[C@H]1CC ZINC001087567540 801757429 /nfs/dbraw/zinc/75/74/29/801757429.db2.gz ULAHYVWLRGOMLH-LSDHHAIUSA-N 1 1 296.842 3.208 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)=C2CCC2)[C@H]1CC ZINC001087567540 801757435 /nfs/dbraw/zinc/75/74/35/801757435.db2.gz ULAHYVWLRGOMLH-LSDHHAIUSA-N 1 1 296.842 3.208 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)[C@H]1CC ZINC001087653970 801759367 /nfs/dbraw/zinc/75/93/67/801759367.db2.gz BRNWUKPTZPKTJZ-LVQVYYBASA-N 1 1 292.467 3.214 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC2(C)C)[C@H]1CC ZINC001087693564 801761373 /nfs/dbraw/zinc/76/13/73/801761373.db2.gz NWLFONOEMSOZKY-HZSPNIEDSA-N 1 1 298.858 3.144 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC2(C)C)[C@H]1CC ZINC001087693564 801761384 /nfs/dbraw/zinc/76/13/84/801761384.db2.gz NWLFONOEMSOZKY-HZSPNIEDSA-N 1 1 298.858 3.144 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@]23C[C@@H]2CCCC3)[C@H]1CC ZINC001087715188 801764737 /nfs/dbraw/zinc/76/47/37/801764737.db2.gz WHZPHJFGQARBDL-CUSZFKRNSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2(F)CCCCC2)[C@H]1CC ZINC001087783922 801766610 /nfs/dbraw/zinc/76/66/10/801766610.db2.gz BIIXBNLUNCHPNE-LSDHHAIUSA-N 1 1 296.430 3.204 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cc(C)cs2)[C@H]1C ZINC001088557284 801800758 /nfs/dbraw/zinc/80/07/58/801800758.db2.gz FFFJDLMWQDBMDV-KGLIPLIRSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cscc2Cl)[C@H]1C ZINC001088643089 801803915 /nfs/dbraw/zinc/80/39/15/801803915.db2.gz PLAFMCZSMGKCOH-MFKMUULPSA-N 1 1 298.839 3.170 20 30 CGEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2ccccc2C(C)C)[C@H]1C ZINC001088605732 801805269 /nfs/dbraw/zinc/80/52/69/801805269.db2.gz FARYNESYPDXATH-QAPCUYQASA-N 1 1 298.430 3.026 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[N@H+](C[C@H](F)CC)[C@@H]2C)CC1 ZINC001088838616 801811750 /nfs/dbraw/zinc/81/17/50/801811750.db2.gz SLWZFAAWPICJRR-BMFZPTHFSA-N 1 1 296.430 3.060 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2(F)CCCCC2)[C@H]1C ZINC001088957925 801813868 /nfs/dbraw/zinc/81/38/68/801813868.db2.gz DGYJOOIRROZXNF-CABCVRRESA-N 1 1 296.430 3.204 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)ccc2C)[C@H]1C ZINC001089003626 801816606 /nfs/dbraw/zinc/81/66/06/801816606.db2.gz ALYVMKCYGIZRRL-WBVHZDCISA-N 1 1 286.419 3.072 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C)c(C)c2)[C@H]1C ZINC001089018353 801817316 /nfs/dbraw/zinc/81/73/16/801817316.db2.gz DLUGYJHOUSYTLN-WBVHZDCISA-N 1 1 286.419 3.072 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCCCC2(C)C)[C@H]1C ZINC001089084082 801820666 /nfs/dbraw/zinc/82/06/66/801820666.db2.gz QXVZZMMQQUJFOU-PMPSAXMXSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1=CCCC1 ZINC001089630034 801847047 /nfs/dbraw/zinc/84/70/47/801847047.db2.gz ZSXGQXRMUJAXHU-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC(C)(C)C(=O)N1C[C@H]2C[N@H+](C[C@@H](C)CC)C[C@@]2(C)C1 ZINC001091916161 801860929 /nfs/dbraw/zinc/86/09/29/801860929.db2.gz CKMODJAOVPEXSC-DAYGRLMNSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)c1ccc(C)cc1)C2 ZINC001096371958 801887880 /nfs/dbraw/zinc/88/78/80/801887880.db2.gz ALHGGFJZGIFDQN-BGTYHANMSA-N 1 1 298.430 3.006 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2=CCCCC2)C1 ZINC001098758481 801914470 /nfs/dbraw/zinc/91/44/70/801914470.db2.gz AOMXTFGUIUQZRK-WMZOPIPTSA-N 1 1 288.435 3.034 20 30 CGEDMO C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC1CCCC1 ZINC001098874121 801918854 /nfs/dbraw/zinc/91/88/54/801918854.db2.gz VZDUIYZAGGZICL-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)C1CC1 ZINC001099001910 801923951 /nfs/dbraw/zinc/92/39/51/801923951.db2.gz YAPVBVJSHPJMSI-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)/C=C/C(C)(C)C ZINC001098977067 801924148 /nfs/dbraw/zinc/92/41/48/801924148.db2.gz ZYAFGYHPJXHKPQ-FEAKQIBJSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)/C=C\C(C)(C)C ZINC001098977068 801925038 /nfs/dbraw/zinc/92/50/38/801925038.db2.gz ZYAFGYHPJXHKPQ-FJVVXJACSA-N 1 1 292.467 3.382 20 30 CGEDMO C#CCCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCCC ZINC001099042859 801925812 /nfs/dbraw/zinc/92/58/12/801925812.db2.gz DBNWGDMBLMXDQD-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)C(C)(C)C ZINC001099121680 801927892 /nfs/dbraw/zinc/92/78/92/801927892.db2.gz MXDJHFPFVASCON-LSDHHAIUSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC(C)C ZINC001099169992 801930148 /nfs/dbraw/zinc/93/01/48/801930148.db2.gz BQVJRALNAYOYFP-OAHLLOKOSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H](C=C)CC ZINC001099188427 801932995 /nfs/dbraw/zinc/93/29/95/801932995.db2.gz FZAPAVVFQWQKHJ-CVEARBPZSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCCC1(C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CC)CC1 ZINC001099214235 801933288 /nfs/dbraw/zinc/93/32/88/801933288.db2.gz ISELOIPIHJYUFS-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC ZINC001099193718 801934743 /nfs/dbraw/zinc/93/47/43/801934743.db2.gz FZVSDOYOXUMNOW-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)CCC ZINC001099208429 801934824 /nfs/dbraw/zinc/93/48/24/801934824.db2.gz RENRAVYJANWWRB-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@](C)(C=C)CC ZINC001099213333 801934888 /nfs/dbraw/zinc/93/48/88/801934888.db2.gz CEGXEXSZZSUNBK-CRAIPNDOSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)C ZINC001099316024 801936936 /nfs/dbraw/zinc/93/69/36/801936936.db2.gz KIBNJXGNCFFZHF-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C)CCC)C[C@]2(C)C1 ZINC001101182815 801972961 /nfs/dbraw/zinc/97/29/61/801972961.db2.gz FHVAPNNMPSSJSW-NUJGCVRESA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)/C(C)=C/CC)C[C@]2(C)C1 ZINC001101155328 801973593 /nfs/dbraw/zinc/97/35/93/801973593.db2.gz PLHFNNIETRSGPD-PNWBLYNBSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](CNC(=O)/C(C)=C/CC)[C@H](C)C1 ZINC001101778981 801990648 /nfs/dbraw/zinc/99/06/48/801990648.db2.gz GFUWBNGMEHDKMU-JLPZFWKWSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)/C(C)=C\C)[C@H](C)C1 ZINC001101863842 801993600 /nfs/dbraw/zinc/99/36/00/801993600.db2.gz NDNDSZIURAHWOO-FHASGNSBSA-N 1 1 292.467 3.383 20 30 CGEDMO C#CCCCC(=O)NC[C@@H]1C[N@@H+](CCCCCC)C[C@H]1C ZINC001101920817 801996762 /nfs/dbraw/zinc/99/67/62/801996762.db2.gz LLTDVWIUODQHSY-IAGOWNOFSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CC2(C)CC2)[C@H](C)C1 ZINC001102166836 802000638 /nfs/dbraw/zinc/00/06/38/802000638.db2.gz FVOVUDJQTZERGO-OWCLPIDISA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C2(C)CCC2)[C@H](C)C1 ZINC001102235920 802003015 /nfs/dbraw/zinc/00/30/15/802003015.db2.gz BABGBFQSAXWCIT-OWCLPIDISA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCCC(=O)NC[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C ZINC001102295512 802003481 /nfs/dbraw/zinc/00/34/81/802003481.db2.gz NFVUGBXDUFNDAU-HZPDHXFCSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@](C)(C=C)CC)[C@H](C)C1 ZINC001102327481 802004591 /nfs/dbraw/zinc/00/45/91/802004591.db2.gz ZXDKQDXIVGYJOA-JFIYKMOQSA-N 1 1 292.467 3.239 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@](C)(CC)CCC)[C@H](C)C1 ZINC001102484743 802008853 /nfs/dbraw/zinc/00/88/53/802008853.db2.gz VUXLHEBJZBJLOG-NUJGCVRESA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)CC)C1 ZINC001102913721 802023101 /nfs/dbraw/zinc/02/31/01/802023101.db2.gz VRYSQZXNNYAQEC-GVDBMIGSSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(CCC)CCC2)C1 ZINC001103336931 802030474 /nfs/dbraw/zinc/03/04/74/802030474.db2.gz DCLIWGQKQGBJEI-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C ZINC001103315380 802032003 /nfs/dbraw/zinc/03/20/03/802032003.db2.gz ZGARXXJKCPRJLK-HZPDHXFCSA-N 1 1 294.483 3.319 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NCC[C@@H]1C[N@@H+](CC(C)C)C[C@H]1C ZINC001103346633 802032287 /nfs/dbraw/zinc/03/22/87/802032287.db2.gz OXGSWXAIHGJXMJ-GVDBMIGSSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc(C=C)cc2)C1 ZINC001103461791 802034253 /nfs/dbraw/zinc/03/42/53/802034253.db2.gz VKVRYOJDVILZEL-CRAIPNDOSA-N 1 1 298.430 3.203 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCCCC)C1 ZINC001103694602 802039535 /nfs/dbraw/zinc/03/95/35/802039535.db2.gz YPTRZFUJKMNDMS-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)CCCC)CCC[C@@H]12 ZINC001107388355 802088341 /nfs/dbraw/zinc/08/83/41/802088341.db2.gz FOVXPESRMPMJAH-LZLYRXPVSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@]2(CNC(=O)CCCF)CCC[C@@H]12 ZINC001107506825 802089692 /nfs/dbraw/zinc/08/96/92/802089692.db2.gz OOOUVSPWKMAXFA-NVXWUHKLSA-N 1 1 296.430 3.063 20 30 CGEDMO C=CCCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(C)C)CC2 ZINC001107524132 802090789 /nfs/dbraw/zinc/09/07/89/802090789.db2.gz JHCCZMIZDNNXQT-SJLPKXTDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)CCCC)C2 ZINC001108954064 802104289 /nfs/dbraw/zinc/10/42/89/802104289.db2.gz BPNZKKUZCCFZKP-WCVJEAGWSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)c1ccccc1 ZINC001109042938 802106634 /nfs/dbraw/zinc/10/66/34/802106634.db2.gz GYSMFSYBXUADSW-RANZSIQMSA-N 1 1 298.430 3.435 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1(C)CC1)C2 ZINC001109539764 802117075 /nfs/dbraw/zinc/11/70/75/802117075.db2.gz QUVDVXCPXKNPNN-WCVJEAGWSA-N 1 1 290.451 3.253 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC ZINC001109634270 802121391 /nfs/dbraw/zinc/12/13/91/802121391.db2.gz ITOGERXRCYTRMR-FZKCQIBNSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)CC(C)C)C2 ZINC001109950172 802130187 /nfs/dbraw/zinc/13/01/87/802130187.db2.gz OUFFEEIXWMILGG-PMPSAXMXSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC/C=C\CCC ZINC001110379190 802138928 /nfs/dbraw/zinc/13/89/28/802138928.db2.gz ZPAZHSWTUGSTIO-BIAFVLJASA-N 1 1 290.451 3.421 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)CCC=C ZINC001110378878 802139074 /nfs/dbraw/zinc/13/90/74/802139074.db2.gz MKPZUEJWLSWFNT-FPCVCCKLSA-N 1 1 276.424 3.029 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@@H](C)F ZINC001110603463 802145864 /nfs/dbraw/zinc/14/58/64/802145864.db2.gz FGLMSDWNWSMOMT-TUVASFSCSA-N 1 1 296.430 3.058 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1(C)CC1)C2 ZINC001110832961 802148649 /nfs/dbraw/zinc/14/86/49/802148649.db2.gz QUVDVXCPXKNPNN-JJXSEGSLSA-N 1 1 290.451 3.253 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCC1 ZINC001110898356 802148656 /nfs/dbraw/zinc/14/86/56/802148656.db2.gz CIHKHMXOCZKFFD-OAGGEKHMSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC1CC1)C2 ZINC001110929138 802150290 /nfs/dbraw/zinc/15/02/90/802150290.db2.gz UEFPJJHSMJZRHL-ZACQAIPSSA-N 1 1 290.451 3.254 20 30 CGEDMO C[C@H](Cc1ccncc1)[N@H+](CCC#N)Cc1ccccc1 ZINC001256733797 806963984 /nfs/dbraw/zinc/96/39/84/806963984.db2.gz RVMIUQZMKNARFX-MRXNPFEDSA-N 1 1 279.387 3.428 20 30 CGEDMO C[C@H](Cc1ccncc1)[N@@H+](CCC#N)Cc1ccccc1 ZINC001256733797 806963986 /nfs/dbraw/zinc/96/39/86/806963986.db2.gz RVMIUQZMKNARFX-MRXNPFEDSA-N 1 1 279.387 3.428 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)CC(C)C)C2 ZINC001111248738 802158757 /nfs/dbraw/zinc/15/87/57/802158757.db2.gz MODKGWUAKYMLEE-VQHPVUNQSA-N 1 1 292.467 3.356 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC2)C1 ZINC001111556544 802160741 /nfs/dbraw/zinc/16/07/41/802160741.db2.gz LJVIHWWIJCUYCE-WMZOPIPTSA-N 1 1 292.467 3.338 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2CC2)C1 ZINC001111559797 802161492 /nfs/dbraw/zinc/16/14/92/802161492.db2.gz GNJHGBDVLOXWQW-ZVZYQTTQSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)CCC)C1 ZINC001111650615 802164396 /nfs/dbraw/zinc/16/43/96/802164396.db2.gz YNIKOJPRARFLCC-BQFCYCMXSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)CC)C1 ZINC001111727984 802166041 /nfs/dbraw/zinc/16/60/41/802166041.db2.gz QOMXJDOPRNTERZ-NOLJZWGESA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)CC)C1 ZINC001111727984 802166045 /nfs/dbraw/zinc/16/60/45/802166045.db2.gz QOMXJDOPRNTERZ-NOLJZWGESA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)CCCC ZINC001113909907 802236355 /nfs/dbraw/zinc/23/63/55/802236355.db2.gz CTVKYVRHARBEAK-NCOADZHNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(C)(C)CC ZINC001114333213 802241648 /nfs/dbraw/zinc/24/16/48/802241648.db2.gz ABJITFLAUXHKFX-LJIGWXMPSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CCCCC(=O)NC1[C@H]2C[N@H+](CC/C=C\CCC)C[C@@H]12 ZINC001114754526 802244977 /nfs/dbraw/zinc/24/49/77/802244977.db2.gz CXNQZACUXIXISS-ZOQIZTMWSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)CCC(C)(C)C ZINC001115126501 802253537 /nfs/dbraw/zinc/25/35/37/802253537.db2.gz OOYIEDVCOYRWMZ-WCVJEAGWSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCCCCCC ZINC001115163673 802254676 /nfs/dbraw/zinc/25/46/76/802254676.db2.gz JRZOFGBZYYKNJG-VQFNDLOPSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cccc3c2OC(C)(C)C3)C1 ZINC001116554790 802377850 /nfs/dbraw/zinc/37/78/50/802377850.db2.gz FKQPXDUJGWRXNT-INIZCTEOSA-N 1 1 287.403 3.177 20 30 CGEDMO C=C[C@@H](COC)[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC001116643103 802390488 /nfs/dbraw/zinc/39/04/88/802390488.db2.gz JAXGBHFSZFBOFP-KOLCDFICSA-N 1 1 257.736 3.331 20 30 CGEDMO CC(C)COCC[C@H](C)[N@H+]1CCC[C@H](C#N)CC1 ZINC001172475313 808339674 /nfs/dbraw/zinc/33/96/74/808339674.db2.gz HXBASBNQQRMQAD-GJZGRUSLSA-N 1 1 252.402 3.063 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCO[C@@](C)(c2ccc(F)cc2)C1 ZINC001172501916 808357576 /nfs/dbraw/zinc/35/75/76/808357576.db2.gz SFXPBOUUYBXROH-RHSMWYFYSA-N 1 1 290.382 3.455 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2cccc3ccoc32)C1 ZINC001117785009 802494104 /nfs/dbraw/zinc/49/41/04/802494104.db2.gz VGLLJGFDHYOQGM-OAHLLOKOSA-N 1 1 257.333 3.210 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)C(C)(C)C(C)C ZINC001273515378 808850709 /nfs/dbraw/zinc/85/07/09/808850709.db2.gz USOJHHYEEDWZFG-UHFFFAOYSA-N 1 1 268.445 3.025 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](C[C@H]2CCCC(C)(C)C2)C1 ZINC001180317512 809992323 /nfs/dbraw/zinc/99/23/23/809992323.db2.gz HRQAHWDZLJCVGA-GJZGRUSLSA-N 1 1 251.414 3.480 20 30 CGEDMO CO[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C#N)c2)CC[C@@H]1C ZINC001119761303 802697843 /nfs/dbraw/zinc/69/78/43/802697843.db2.gz MNXSVZKXSAPDOX-XHDPSFHLSA-N 1 1 278.783 3.068 20 30 CGEDMO C=CC[C@@H]([NH2+][C@@H](C)CCCC(F)(F)F)C(=O)OCC ZINC001181458227 810054060 /nfs/dbraw/zinc/05/40/60/810054060.db2.gz UJKFROGHOOMVSJ-WDEREUQCSA-N 1 1 281.318 3.205 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2CC2)C1 ZINC001120279575 802738370 /nfs/dbraw/zinc/73/83/70/802738370.db2.gz KEKHOWGSLDEJDJ-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[N@H+]1C[C@H](NC(=O)C(CC)CC)CC[C@H]1C ZINC001131839813 803349303 /nfs/dbraw/zinc/34/93/03/803349303.db2.gz VNBDEKVWHLXXCS-GDBMZVCRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)C=C(CC)CC)CC[C@@H]1C ZINC001131989162 803364772 /nfs/dbraw/zinc/36/47/72/803364772.db2.gz UPUBAONNEDWLPH-GOEBONIOSA-N 1 1 278.440 3.278 20 30 CGEDMO C#CCCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCCC=C)C1 ZINC001131976901 803364917 /nfs/dbraw/zinc/36/49/17/803364917.db2.gz QHUKKIYVAKQSPO-DLBZAZTESA-N 1 1 290.451 3.115 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](C/C=C\Cl)C1 ZINC001132061718 803371637 /nfs/dbraw/zinc/37/16/37/803371637.db2.gz XYRWJKVBHASHQF-MVUUYHCISA-N 1 1 298.858 3.310 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](C/C=C\Cl)C1 ZINC001132061718 803371642 /nfs/dbraw/zinc/37/16/42/803371642.db2.gz XYRWJKVBHASHQF-MVUUYHCISA-N 1 1 298.858 3.310 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](CCC2CC2)C1 ZINC001132073995 803373506 /nfs/dbraw/zinc/37/35/06/803373506.db2.gz ZMOXKSNEFZLPJZ-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)CC2(C)CC2)CC[C@@H]1C ZINC001132195726 803379014 /nfs/dbraw/zinc/37/90/14/803379014.db2.gz UFJIOCTXVQURRN-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)C2(CCF)CC2)CC[C@@H]1C ZINC001132199810 803379218 /nfs/dbraw/zinc/37/92/18/803379218.db2.gz MSNLCZYVLRIBSP-LSDHHAIUSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(=C)C)CC[C@@H]1C ZINC001132222170 803380438 /nfs/dbraw/zinc/38/04/38/803380438.db2.gz UUVRNDXVKQQNJE-GJZGRUSLSA-N 1 1 278.440 3.134 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(C)C)C1 ZINC001132221367 803380524 /nfs/dbraw/zinc/38/05/24/803380524.db2.gz GNOFOQQJNIODTM-HUUCEWRRSA-N 1 1 280.456 3.214 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CC(C)=C(C)C)CC[C@H]1C ZINC001132223480 803381063 /nfs/dbraw/zinc/38/10/63/803381063.db2.gz DXIMEGXNRRCIKE-CVEARBPZSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C/C(C)=C/CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=C)C)C1 ZINC001132223568 803381582 /nfs/dbraw/zinc/38/15/82/803381582.db2.gz FCUGIPHRSLPETH-DJYJQHBUSA-N 1 1 276.424 3.054 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)CC(C)=C(C)C)CC[C@@H]1C ZINC001132223483 803381696 /nfs/dbraw/zinc/38/16/96/803381696.db2.gz DXIMEGXNRRCIKE-JKSUJKDBSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CC(C)=C(C)C)CC[C@@H]1C ZINC001132223481 803381947 /nfs/dbraw/zinc/38/19/47/803381947.db2.gz DXIMEGXNRRCIKE-HOTGVXAUSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C/C=C(/C)C=C)CC[C@@H]1C ZINC001132224293 803382187 /nfs/dbraw/zinc/38/21/87/803382187.db2.gz LWVXBOSYOYSXHZ-YPCCIVHHSA-N 1 1 276.424 3.054 20 30 CGEDMO C#CCCCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCCC)C1 ZINC001132241110 803385756 /nfs/dbraw/zinc/38/57/56/803385756.db2.gz QSJKEYZPJYYMHT-IRXDYDNUSA-N 1 1 292.467 3.339 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCC(C)C)C1 ZINC001132248457 803386781 /nfs/dbraw/zinc/38/67/81/803386781.db2.gz GJTZUOZBVIABQH-CVEARBPZSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC(C)C)C2)CCC1 ZINC001132282002 803390679 /nfs/dbraw/zinc/39/06/79/803390679.db2.gz HCHSMNBLTVBZEX-HOTGVXAUSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)CCC2(C)CC2)CC[C@@H]1C ZINC001132414641 803402404 /nfs/dbraw/zinc/40/24/04/803402404.db2.gz UBAOAMMGJRAQRZ-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C[C@H](CC)CC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC001135623225 803607376 /nfs/dbraw/zinc/60/73/76/803607376.db2.gz CWYMNPUEZKXTQJ-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C[C@]1(F)CCC[N@@H+](Cc2ccc(OCC#N)cc2)CC1 ZINC001137114730 803684761 /nfs/dbraw/zinc/68/47/61/803684761.db2.gz WLWRJQIPLLQYMS-INIZCTEOSA-N 1 1 276.355 3.303 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC001137661341 803752290 /nfs/dbraw/zinc/75/22/90/803752290.db2.gz PZMMTTYSMFQRBA-NSHDSACASA-N 1 1 251.732 3.324 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC001137661341 803752295 /nfs/dbraw/zinc/75/22/95/803752295.db2.gz PZMMTTYSMFQRBA-NSHDSACASA-N 1 1 251.732 3.324 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@H](C)C[C@@H]2C)c(C#N)c1 ZINC001137703374 803760621 /nfs/dbraw/zinc/76/06/21/803760621.db2.gz LAXZDXGNRBVVPO-STQMWFEESA-N 1 1 258.365 3.187 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@@H](C)C[C@@H]2C)c(C#N)c1 ZINC001137703369 803761488 /nfs/dbraw/zinc/76/14/88/803761488.db2.gz LAXZDXGNRBVVPO-OLZOCXBDSA-N 1 1 258.365 3.187 20 30 CGEDMO CCc1cccc2c(C[N@@H+]3CC[C@H](C#N)C3)c[nH]c21 ZINC001138366367 803907438 /nfs/dbraw/zinc/90/74/38/803907438.db2.gz VZEIAZJLXVPSEM-GFCCVEGCSA-N 1 1 253.349 3.076 20 30 CGEDMO CCc1cccc2c(C[N@H+]3CC[C@H](C#N)C3)c[nH]c21 ZINC001138366367 803907448 /nfs/dbraw/zinc/90/74/48/803907448.db2.gz VZEIAZJLXVPSEM-GFCCVEGCSA-N 1 1 253.349 3.076 20 30 CGEDMO COc1ccc(C)cc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001138488090 803949003 /nfs/dbraw/zinc/94/90/03/803949003.db2.gz UJWYRDNCXWQSDP-AWEZNQCLSA-N 1 1 258.365 3.129 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCCC[C@](C)(F)C2)cc1 ZINC001138556419 803966665 /nfs/dbraw/zinc/96/66/65/803966665.db2.gz UUYGVCJJWMNHNK-KRWDZBQOSA-N 1 1 275.367 3.413 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCCC[C@H](F)C2)cc1 ZINC001138556013 803967226 /nfs/dbraw/zinc/96/72/26/803967226.db2.gz AYZFZIGJWZBSLY-HNNXBMFYSA-N 1 1 261.340 3.023 20 30 CGEDMO C#CCOc1ccc(C[N@@H+](CCC#N)C2CCCC2)cc1 ZINC001138558816 803968646 /nfs/dbraw/zinc/96/86/46/803968646.db2.gz JPEWUMJGXDKMEV-UHFFFAOYSA-N 1 1 282.387 3.357 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC001138666229 803999534 /nfs/dbraw/zinc/99/95/34/803999534.db2.gz LYIOMJJLTFRMSV-LSDHHAIUSA-N 1 1 275.392 3.251 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC001138666229 803999542 /nfs/dbraw/zinc/99/95/42/803999542.db2.gz LYIOMJJLTFRMSV-LSDHHAIUSA-N 1 1 275.392 3.251 20 30 CGEDMO COc1cc(C)c(C[N@@H+]2CCC[C@@H](C#N)C2)c(C)c1C ZINC001138725091 804023318 /nfs/dbraw/zinc/02/33/18/804023318.db2.gz PKQYWJVSDAWCAE-HNNXBMFYSA-N 1 1 272.392 3.356 20 30 CGEDMO COc1cc(C)c(C[N@H+]2CCC[C@@H](C#N)C2)c(C)c1C ZINC001138725091 804023324 /nfs/dbraw/zinc/02/33/24/804023324.db2.gz PKQYWJVSDAWCAE-HNNXBMFYSA-N 1 1 272.392 3.356 20 30 CGEDMO CCCCCCCC[N@@H+](C)Cc1c[nH]nc1C(=O)OCC ZINC001138856558 804058865 /nfs/dbraw/zinc/05/88/65/804058865.db2.gz XDQGAZVDJLGFKF-UHFFFAOYSA-N 1 1 295.427 3.379 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@H](OC)C[C@@H]1C ZINC001139031407 804113648 /nfs/dbraw/zinc/11/36/48/804113648.db2.gz XGGLCPNESIKXBX-HOCLYGCPSA-N 1 1 275.392 3.251 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2Cc2ccccn2)cc1F ZINC001139527267 804202305 /nfs/dbraw/zinc/20/23/05/804202305.db2.gz CWGSUXDWRYKVGJ-QGZVFWFLSA-N 1 1 295.361 3.299 20 30 CGEDMO CCCCCCC[C@@H](CCC)[NH2+]C[C@@]1(O)CCCNC1 ZINC001246232073 804225566 /nfs/dbraw/zinc/22/55/66/804225566.db2.gz QARCBDBLPYWAKK-IAGOWNOFSA-N 1 1 284.488 3.220 20 30 CGEDMO C#Cc1cccc(CNC2C[C@H](CC)[NH2+][C@@H](CC)C2)c1 ZINC001246261030 804242689 /nfs/dbraw/zinc/24/26/89/804242689.db2.gz CPVVSCBRSQVLFP-IRXDYDNUSA-N 1 1 270.420 3.067 20 30 CGEDMO C#Cc1ccc(CN[C@H]2CC[NH2+]C3(CCCCC3)C2)cc1 ZINC001246264307 804246070 /nfs/dbraw/zinc/24/60/70/804246070.db2.gz IPQUDXHERCWXRM-SFHVURJKSA-N 1 1 282.431 3.212 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1c[nH]c2c1cccc2C#N ZINC001139704741 804260345 /nfs/dbraw/zinc/26/03/45/804260345.db2.gz CKFUPWYDNONTMA-UHFFFAOYSA-N 1 1 253.349 3.438 20 30 CGEDMO Cc1cc(O)cc(C)c1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001139714461 804263577 /nfs/dbraw/zinc/26/35/77/804263577.db2.gz BKLSAMMKTQJYTE-CQSZACIVSA-N 1 1 258.365 3.135 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1c[nH]c2cccc(C(=O)OC)c12 ZINC001139722277 804266039 /nfs/dbraw/zinc/26/60/39/804266039.db2.gz UJBULUXWTICZQA-UHFFFAOYSA-N 1 1 286.375 3.353 20 30 CGEDMO COC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccc(C)c(C#N)c1 ZINC001139726375 804266534 /nfs/dbraw/zinc/26/65/34/804266534.db2.gz LATMVIGBLVAIRT-INIZCTEOSA-N 1 1 272.392 3.256 20 30 CGEDMO Cc1ccc(C[N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)cc1C#N ZINC001139724780 804267404 /nfs/dbraw/zinc/26/74/04/804267404.db2.gz PNYCQAQGALIILO-HIFRSBDPSA-N 1 1 276.330 3.344 20 30 CGEDMO CCCCCCC[C@H](CC(C)C)[NH2+][C@H]1CCNC[C@@H]1O ZINC001246313674 804275767 /nfs/dbraw/zinc/27/57/67/804275767.db2.gz VOCMUWBPAQIYIY-IKGGRYGDSA-N 1 1 284.488 3.074 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1cc(=O)n(C)c2ccccc12 ZINC001139757240 804276132 /nfs/dbraw/zinc/27/61/32/804276132.db2.gz MCZMJPUPMJKWFY-UHFFFAOYSA-N 1 1 297.402 3.054 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1cc(=O)n(C)c2ccccc12 ZINC001139757240 804276137 /nfs/dbraw/zinc/27/61/37/804276137.db2.gz MCZMJPUPMJKWFY-UHFFFAOYSA-N 1 1 297.402 3.054 20 30 CGEDMO CCCCCCCC[C@@H](CC)[NH2+][C@@H]1CCNC[C@@H]1CO ZINC001246319065 804279069 /nfs/dbraw/zinc/27/90/69/804279069.db2.gz CJDSJOOEJCGYHX-BRWVUGGUSA-N 1 1 284.488 3.076 20 30 CGEDMO C=CCn1cc(C[N@@H+](C)C/C=C/c2ccccc2)cn1 ZINC001139772878 804280232 /nfs/dbraw/zinc/28/02/32/804280232.db2.gz RYVJSZDBDHBOLF-JXMROGBWSA-N 1 1 267.376 3.214 20 30 CGEDMO COCc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)s1 ZINC001139827413 804294567 /nfs/dbraw/zinc/29/45/67/804294567.db2.gz WCVWMXMQZSWMCW-GFCCVEGCSA-N 1 1 264.394 3.020 20 30 CGEDMO C=CC[NH+]1CCN(Cc2ccc(F)c3ccccc23)CC1 ZINC001139891442 804319442 /nfs/dbraw/zinc/31/94/42/804319442.db2.gz YXZQKQDEXASPKQ-UHFFFAOYSA-N 1 1 284.378 3.283 20 30 CGEDMO C#CC1(N[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CCCCC1 ZINC001246461559 804341465 /nfs/dbraw/zinc/34/14/65/804341465.db2.gz DEMRDEVVLIOEHM-MSOLQXFVSA-N 1 1 282.431 3.405 20 30 CGEDMO COc1c(Cl)cccc1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001140067487 804369321 /nfs/dbraw/zinc/36/93/21/804369321.db2.gz KTDKZIFCZFSJIE-LBPRGKRZSA-N 1 1 278.783 3.474 20 30 CGEDMO COc1c(Cl)cccc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001140067487 804369330 /nfs/dbraw/zinc/36/93/30/804369330.db2.gz KTDKZIFCZFSJIE-LBPRGKRZSA-N 1 1 278.783 3.474 20 30 CGEDMO CCCO[C@@H]1CC[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140114372 804381282 /nfs/dbraw/zinc/38/12/82/804381282.db2.gz OHTYIARRTOVXGU-OAHLLOKOSA-N 1 1 283.375 3.040 20 30 CGEDMO C[C@]1(N)CCC[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001246544384 804392714 /nfs/dbraw/zinc/39/27/14/804392714.db2.gz VIJLSQDQNAQVGA-ACBHZAAOSA-N 1 1 297.446 3.398 20 30 CGEDMO C[C@]1([NH3+])CCCN(C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001246544384 804392723 /nfs/dbraw/zinc/39/27/23/804392723.db2.gz VIJLSQDQNAQVGA-ACBHZAAOSA-N 1 1 297.446 3.398 20 30 CGEDMO COc1ccccc1[C@@H](C)[N@H+](C)Cc1ccc(C#N)nc1 ZINC001140545833 804457585 /nfs/dbraw/zinc/45/75/85/804457585.db2.gz MNCDNMPZUUXHCZ-CYBMUJFWSA-N 1 1 281.359 3.155 20 30 CGEDMO COc1ccccc1[C@@H](C)[N@@H+](C)Cc1ccc(C#N)nc1 ZINC001140545833 804457588 /nfs/dbraw/zinc/45/75/88/804457588.db2.gz MNCDNMPZUUXHCZ-CYBMUJFWSA-N 1 1 281.359 3.155 20 30 CGEDMO CCCCCCCCC[C@@H](C)[N@H+]1C[C@H]2CNC[C@@H](C1)O2 ZINC001246680042 804494658 /nfs/dbraw/zinc/49/46/58/804494658.db2.gz SGVOKVFOCTVOFZ-ZACQAIPSSA-N 1 1 282.472 3.188 20 30 CGEDMO CCCCCCCCC[C@@H](C)[N@@H+]1C[C@H]2CNC[C@@H](C1)O2 ZINC001246680042 804494662 /nfs/dbraw/zinc/49/46/62/804494662.db2.gz SGVOKVFOCTVOFZ-ZACQAIPSSA-N 1 1 282.472 3.188 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CCN[C@H](C(C)C)C3)C[C@H](C1)C2 ZINC001246687309 804496864 /nfs/dbraw/zinc/49/68/64/804496864.db2.gz QHCJKSQEYZIHIY-WFVVYAPDSA-N 1 1 262.441 3.051 20 30 CGEDMO CCCCCCC[C@H](CC)[N@@H+]1CCn2cnc(CO)c2C1 ZINC001246718292 804500392 /nfs/dbraw/zinc/50/03/92/804500392.db2.gz ZJAZHRRQTIWIPU-HNNXBMFYSA-N 1 1 293.455 3.330 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CCn2cnc(CO)c2C1 ZINC001246718292 804500397 /nfs/dbraw/zinc/50/03/97/804500397.db2.gz ZJAZHRRQTIWIPU-HNNXBMFYSA-N 1 1 293.455 3.330 20 30 CGEDMO CCC(CC)[N@@H+](C)Cc1cc(F)c(C#N)c(F)c1 ZINC001140754929 804506819 /nfs/dbraw/zinc/50/68/19/804506819.db2.gz OXBGZCKBBGQUNN-UHFFFAOYSA-N 1 1 252.308 3.457 20 30 CGEDMO CN(Cc1ccc(C#N)cc1)[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256918676 807012062 /nfs/dbraw/zinc/01/20/62/807012062.db2.gz RHTSEMPZSWCQFQ-IBGZPJMESA-N 1 1 297.446 3.397 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CCN[C@@H](CC(C)C)C3)C[C@H](C1)C2 ZINC001246825446 804536746 /nfs/dbraw/zinc/53/67/46/804536746.db2.gz VHGCHVCLFMVJHM-KTGAGVNESA-N 1 1 276.468 3.441 20 30 CGEDMO N#CC1CCC([N@H+]2CCC[C@H](Oc3cccnc3)C2)CC1 ZINC001256968361 807019064 /nfs/dbraw/zinc/01/90/64/807019064.db2.gz DGYNXCJIJDKDSB-DQPZFDDXSA-N 1 1 285.391 3.007 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2cccc(-c3ncccn3)c2)CC1 ZINC001140980398 804561814 /nfs/dbraw/zinc/56/18/14/804561814.db2.gz WHIOXWMUTNKDME-OAHLLOKOSA-N 1 1 292.386 3.269 20 30 CGEDMO C[N@@H+](CC/C=C/c1cccnc1)C1CCC(C#N)CC1 ZINC001256973396 807020490 /nfs/dbraw/zinc/02/04/90/807020490.db2.gz QFYYTOSTMXAMPP-GORDUTHDSA-N 1 1 269.392 3.499 20 30 CGEDMO CC(C)(O)C[N@@H+](Cc1ccccc1)C1CCC(C#N)CC1 ZINC001256973537 807021061 /nfs/dbraw/zinc/02/10/61/807021061.db2.gz RUDNVAVNSANUIS-UHFFFAOYSA-N 1 1 286.419 3.342 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccc3cccc(O)c3n2)C1 ZINC001141021665 804573724 /nfs/dbraw/zinc/57/37/24/804573724.db2.gz IZRMIVGHTFVSRK-ZDUSSCGKSA-N 1 1 281.359 3.066 20 30 CGEDMO CC[C@@H](C)[N@@H+](C)Cc1sc(N)c(C#N)c1Cl ZINC001141108947 804592392 /nfs/dbraw/zinc/59/23/92/804592392.db2.gz DRLFZZULYKQQBX-SSDOTTSWSA-N 1 1 257.790 3.086 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC[N@@H+](C)C2(CCCCC2)C1 ZINC001141152830 804600591 /nfs/dbraw/zinc/60/05/91/804600591.db2.gz DYSCPKHYPYHKAN-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO COc1cccc(CC[N@@H+](C)Cc2ccc(F)cc2C#N)c1 ZINC001141166344 804603892 /nfs/dbraw/zinc/60/38/92/804603892.db2.gz HHOMNNSBOLGAQN-UHFFFAOYSA-N 1 1 298.361 3.380 20 30 CGEDMO CC[N@@H+](Cc1ccccc1O)Cc1ccc(F)cc1C#N ZINC001141166857 804603906 /nfs/dbraw/zinc/60/39/06/804603906.db2.gz KXHFLEVHVLWCSH-UHFFFAOYSA-N 1 1 284.334 3.425 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CC[C@](F)(CN)C1 ZINC001246947109 804614874 /nfs/dbraw/zinc/61/48/74/804614874.db2.gz VKNJLYLXKGUYFW-CABCVRRESA-N 1 1 258.425 3.498 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@@H+]1CC[C@](F)(CN)C1 ZINC001246947109 804614871 /nfs/dbraw/zinc/61/48/71/804614871.db2.gz VKNJLYLXKGUYFW-CABCVRRESA-N 1 1 258.425 3.498 20 30 CGEDMO C[C@@H]1CN(C2CCC(C#N)(c3ccccc3)CC2)C[C@@H](C)[NH2+]1 ZINC001246969694 804623097 /nfs/dbraw/zinc/62/30/97/804623097.db2.gz SJVUJQSDIBYCFG-FDCMFXBMSA-N 1 1 297.446 3.073 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(C(F)(F)F)cc1OC ZINC001141610772 804657642 /nfs/dbraw/zinc/65/76/42/804657642.db2.gz HNVUKMYUJWWWOY-UHFFFAOYSA-N 1 1 259.271 3.332 20 30 CGEDMO CCCCCCC[N@@H+](CC)Cc1cnc(C(=O)OC)cn1 ZINC001141828248 804671045 /nfs/dbraw/zinc/67/10/45/804671045.db2.gz OUJMBXBQDUPZHU-UHFFFAOYSA-N 1 1 293.411 3.056 20 30 CGEDMO CCCCCCCCNC(=S)N[C@H]1CC[N@@H+](C)C[C@H]1C ZINC001247186585 804677066 /nfs/dbraw/zinc/67/70/66/804677066.db2.gz QWCOXVILHSBWKB-CABCVRRESA-N 1 1 299.528 3.151 20 30 CGEDMO CC[N@H+](Cc1ccncc1)Cc1ccc(C#N)c(SC)n1 ZINC001141929065 804680036 /nfs/dbraw/zinc/68/00/36/804680036.db2.gz KGAHDFPARKNMRM-UHFFFAOYSA-N 1 1 298.415 3.092 20 30 CGEDMO CC[N@@H+](Cc1ccncc1)Cc1ccc(C#N)c(SC)n1 ZINC001141929065 804680040 /nfs/dbraw/zinc/68/00/40/804680040.db2.gz KGAHDFPARKNMRM-UHFFFAOYSA-N 1 1 298.415 3.092 20 30 CGEDMO CSc1nc(C[N@H+]2CCCC[C@H]2C)ccc1C#N ZINC001141928995 804680753 /nfs/dbraw/zinc/68/07/53/804680753.db2.gz HCTTYMPOUNGXRO-LLVKDONJSA-N 1 1 261.394 3.050 20 30 CGEDMO CC[N@H+](Cc1cccnc1)Cc1ccc(C#N)c(SC)n1 ZINC001141939084 804680831 /nfs/dbraw/zinc/68/08/31/804680831.db2.gz LREKLURBYRIRHD-UHFFFAOYSA-N 1 1 298.415 3.092 20 30 CGEDMO CC[N@@H+](Cc1cccnc1)Cc1ccc(C#N)c(SC)n1 ZINC001141939084 804680833 /nfs/dbraw/zinc/68/08/33/804680833.db2.gz LREKLURBYRIRHD-UHFFFAOYSA-N 1 1 298.415 3.092 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H]1c1nc(-c2cccc(C#N)c2)no1 ZINC001247368549 804707696 /nfs/dbraw/zinc/70/76/96/804707696.db2.gz LVJJGVRUAAMLAV-AWEZNQCLSA-N 1 1 282.347 3.154 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cnn(C(=O)OC(C)(C)C)c1 ZINC001142802017 804771784 /nfs/dbraw/zinc/77/17/84/804771784.db2.gz UYTSNSRZWLPXQX-UHFFFAOYSA-N 1 1 293.411 3.454 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH3+])c1nc(-c2cc(F)c(F)cc2Cl)no1 ZINC001247621415 804780876 /nfs/dbraw/zinc/78/08/76/804780876.db2.gz MSHBJMIGIOYDLG-CAAJLBCPSA-N 1 1 297.692 3.028 20 30 CGEDMO C[C@@]1(F)CC[N@H+](Cc2c[nH]c3cc(C#N)ccc23)C[C@H]1F ZINC001142911608 804782300 /nfs/dbraw/zinc/78/23/00/804782300.db2.gz BIHZYYITPAFLDL-HZPDHXFCSA-N 1 1 289.329 3.312 20 30 CGEDMO C[C@@]1(F)CC[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)C[C@H]1F ZINC001142911608 804782305 /nfs/dbraw/zinc/78/23/05/804782305.db2.gz BIHZYYITPAFLDL-HZPDHXFCSA-N 1 1 289.329 3.312 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2ccc(C)c(OC)c2)no1 ZINC001247622344 804782703 /nfs/dbraw/zinc/78/27/03/804782703.db2.gz JVFYUGMVRVQZMJ-GFCCVEGCSA-N 1 1 273.336 3.020 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2cccc(CC)c2)no1 ZINC001247622324 804783090 /nfs/dbraw/zinc/78/30/90/804783090.db2.gz JCTJPIWBHRTEHW-ZDUSSCGKSA-N 1 1 257.337 3.265 20 30 CGEDMO C[N@@H+](Cc1c[nH]c2cc(C#N)ccc12)C1CC(F)(F)C1 ZINC001142912127 804783747 /nfs/dbraw/zinc/78/37/47/804783747.db2.gz VRCXOXIZIFLSJE-UHFFFAOYSA-N 1 1 275.302 3.269 20 30 CGEDMO N#Cc1ccc2c(C[N@@H+](CC3CC3)C3CC3)c[nH]c2c1 ZINC001142926109 804784875 /nfs/dbraw/zinc/78/48/75/804784875.db2.gz JGMCQQLMNHLXFS-UHFFFAOYSA-N 1 1 265.360 3.414 20 30 CGEDMO C#CC1CC[NH+](Cc2ccc(OCC)c(F)c2F)CC1 ZINC001143278368 804831558 /nfs/dbraw/zinc/83/15/58/804831558.db2.gz GKSUEKSXZLYKEP-UHFFFAOYSA-N 1 1 279.330 3.209 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc(OCC)c(F)c2F)C1 ZINC001143278783 804832879 /nfs/dbraw/zinc/83/28/79/804832879.db2.gz OREXFPBYNRSIJH-LBPRGKRZSA-N 1 1 279.330 3.209 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(OCC)c(F)c2F)C1 ZINC001143278783 804832887 /nfs/dbraw/zinc/83/28/87/804832887.db2.gz OREXFPBYNRSIJH-LBPRGKRZSA-N 1 1 279.330 3.209 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2ccc(Cl)cc2F)no1 ZINC001247966699 804859372 /nfs/dbraw/zinc/85/93/72/804859372.db2.gz DLVYEJQZFRHPBC-JTQLQIEISA-N 1 1 267.691 3.105 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2cc(F)c(Cl)c(F)c2)no1 ZINC001247966877 804859551 /nfs/dbraw/zinc/85/95/51/804859551.db2.gz IKNXANSFYQVRHH-VIFPVBQESA-N 1 1 285.681 3.244 20 30 CGEDMO N#Cc1cccc(Cl)c1C[NH+]1CCC2(CCOC2)CC1 ZINC001143716570 804887549 /nfs/dbraw/zinc/88/75/49/804887549.db2.gz RMYYXIGWIMJQFT-UHFFFAOYSA-N 1 1 290.794 3.214 20 30 CGEDMO CCCC[C@H]([NH3+])c1nc(-c2ccc(C#N)c(C)c2)no1 ZINC001248156526 804888164 /nfs/dbraw/zinc/88/81/64/804888164.db2.gz GWOIZMODLMTFSV-ZDUSSCGKSA-N 1 1 270.336 3.107 20 30 CGEDMO CO[C@@H]1CC[N@H+](Cc2c(Cl)cccc2C#N)[C@H](C)C1 ZINC001143734391 804888644 /nfs/dbraw/zinc/88/86/44/804888644.db2.gz MLYFJDDSYLTNNV-DGCLKSJQSA-N 1 1 278.783 3.211 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2C#N)[C@H](C)C1 ZINC001143734391 804888650 /nfs/dbraw/zinc/88/86/50/804888650.db2.gz MLYFJDDSYLTNNV-DGCLKSJQSA-N 1 1 278.783 3.211 20 30 CGEDMO COc1cccc([C@@H]2CCC[N@@H+]2Cc2cncc(C#N)c2)c1 ZINC001144083519 804935708 /nfs/dbraw/zinc/93/57/08/804935708.db2.gz IJDJABOKNWPNJO-SFHVURJKSA-N 1 1 293.370 3.299 20 30 CGEDMO COc1cccc([C@@H]2CCC[N@H+]2Cc2cncc(C#N)c2)c1 ZINC001144083519 804935713 /nfs/dbraw/zinc/93/57/13/804935713.db2.gz IJDJABOKNWPNJO-SFHVURJKSA-N 1 1 293.370 3.299 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C)[C@@](C)(O)CC1 ZINC001248748454 804982682 /nfs/dbraw/zinc/98/26/82/804982682.db2.gz KFOCMVAPSRZDLN-KDOFPFPSSA-N 1 1 286.419 3.104 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC001248752483 804984030 /nfs/dbraw/zinc/98/40/30/804984030.db2.gz NBWVBXKVXYKXCS-GOSISDBHSA-N 1 1 284.403 3.123 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(OC)c(OCc2ccccc2)c1 ZINC001144498612 804996027 /nfs/dbraw/zinc/99/60/27/804996027.db2.gz UZJDJBVFSQSOKW-UHFFFAOYSA-N 1 1 295.382 3.339 20 30 CGEDMO C#Cc1ccc(C[N@@H+](C)C[C@@H]2Cc3ccccc3O2)cc1 ZINC001144580779 805011330 /nfs/dbraw/zinc/01/13/30/805011330.db2.gz JFLVAPRCEKLROC-SFHVURJKSA-N 1 1 277.367 3.103 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc3scnc3c2)C1 ZINC001144743662 805051292 /nfs/dbraw/zinc/05/12/92/805051292.db2.gz UVQDQAPFDATQIP-GFCCVEGCSA-N 1 1 256.374 3.142 20 30 CGEDMO CCCCCCC[N@H+]1CCC2(CN(C(=O)[C@H]3C[C@H]3C)C2)C1 ZINC001146927385 805099124 /nfs/dbraw/zinc/09/91/24/805099124.db2.gz DLZHLKVIFRDJSV-CVEARBPZSA-N 1 1 292.467 3.147 20 30 CGEDMO C[C@@H]1CC([N@@H+](CCC#N)C2CCCC2)C[C@@H](C)O1 ZINC001257095183 807049309 /nfs/dbraw/zinc/04/93/09/807049309.db2.gz UFOJQNGVXADOQJ-CHWSQXEVSA-N 1 1 250.386 3.101 20 30 CGEDMO N#Cc1ccc(-c2noc([C@@H]([NH3+])C3CC3)n2)c2ccccc12 ZINC001249229792 805116480 /nfs/dbraw/zinc/11/64/80/805116480.db2.gz ODBHNXOIYVAYLM-HNNXBMFYSA-N 1 1 290.326 3.171 20 30 CGEDMO Cc1cc(-c2noc([C@@H]([NH3+])CC3CCC3)n2)ccc1C#N ZINC001249231223 805116815 /nfs/dbraw/zinc/11/68/15/805116815.db2.gz LUTLGXLUTPKPJI-AWEZNQCLSA-N 1 1 282.347 3.107 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)C(F)=C(C)C)C2)C1 ZINC001147323480 805121880 /nfs/dbraw/zinc/12/18/80/805121880.db2.gz BFOQOXXHCCFROF-CQSZACIVSA-N 1 1 294.414 3.139 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)C=C(CC)CC)C2)C1 ZINC001147329343 805122428 /nfs/dbraw/zinc/12/24/28/805122428.db2.gz UCJLNCXYTWNIMG-UHFFFAOYSA-N 1 1 296.842 3.020 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)C=C(CC)CC)C2)C1 ZINC001147329343 805122436 /nfs/dbraw/zinc/12/24/36/805122436.db2.gz UCJLNCXYTWNIMG-UHFFFAOYSA-N 1 1 296.842 3.020 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)/C=C(\C)CC)C2)C1 ZINC001147491373 805134511 /nfs/dbraw/zinc/13/45/11/805134511.db2.gz WUHUDDVEYLDLLU-RBFDBLARSA-N 1 1 290.451 3.232 20 30 CGEDMO CC1(C)CC[N@@H+](Cc2cc3ccc(C#N)cc3[nH]2)C1 ZINC001249428918 805146314 /nfs/dbraw/zinc/14/63/14/805146314.db2.gz GWXUMBCUOJUCED-UHFFFAOYSA-N 1 1 253.349 3.271 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cc3ccc(C#N)cc3[nH]2)C1 ZINC001249429011 805146949 /nfs/dbraw/zinc/14/69/49/805146949.db2.gz JUIGUPIBKUCWNB-ZDUSSCGKSA-N 1 1 278.359 3.165 20 30 CGEDMO C[N@@H+](Cc1cc2ccc(C#N)cc2[nH]1)Cc1ccccc1O ZINC001249430439 805148653 /nfs/dbraw/zinc/14/86/53/805148653.db2.gz RNXYXKLBNUAZAN-UHFFFAOYSA-N 1 1 291.354 3.377 20 30 CGEDMO C=CCN1CC[NH+](Cc2ccccc2SCC)CC1 ZINC001249439317 805149575 /nfs/dbraw/zinc/14/95/75/805149575.db2.gz MOXJMSWFWVUQQH-UHFFFAOYSA-N 1 1 276.449 3.102 20 30 CGEDMO C=CC[NH+]1CCN(Cc2ccccc2SCC)CC1 ZINC001249439317 805149585 /nfs/dbraw/zinc/14/95/85/805149585.db2.gz MOXJMSWFWVUQQH-UHFFFAOYSA-N 1 1 276.449 3.102 20 30 CGEDMO C=C[C@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](CCC(C)C)C2 ZINC001148095668 805163004 /nfs/dbraw/zinc/16/30/04/805163004.db2.gz NAQWHGHFCDDFFH-JKSUJKDBSA-N 1 1 292.467 3.025 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2cc(F)cc3cc[nH]c32)CC1 ZINC001249524972 805165388 /nfs/dbraw/zinc/16/53/88/805165388.db2.gz UUNBGFNURXSXCO-LBPRGKRZSA-N 1 1 271.339 3.433 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC2(C1)CC[N@H+](CCCCC)C2 ZINC001148216021 805168170 /nfs/dbraw/zinc/16/81/70/805168170.db2.gz JPXDZGUOLMQIID-QGZVFWFLSA-N 1 1 292.467 3.313 20 30 CGEDMO CCCCCCCNC(=S)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001249637740 805197640 /nfs/dbraw/zinc/19/76/40/805197640.db2.gz SRTFEHHRFZJXPF-OAHLLOKOSA-N 1 1 297.512 3.001 20 30 CGEDMO C=C(C)C[N@@H+]1CCC2(CN(C(=O)C[C@H](CC)C(C)C)C2)C1 ZINC001148635512 805202858 /nfs/dbraw/zinc/20/28/58/805202858.db2.gz JNPGSTYIAXTWKA-INIZCTEOSA-N 1 1 292.467 3.169 20 30 CGEDMO CC(C)[N@@H+](Cc1cccc(C#N)c1F)C1CCN(C)CC1 ZINC001249693233 805215150 /nfs/dbraw/zinc/21/51/50/805215150.db2.gz JEQMPKYZLPSORP-UHFFFAOYSA-N 1 1 289.398 3.002 20 30 CGEDMO CC(C)N(Cc1cccc(C#N)c1F)C1CC[NH+](C)CC1 ZINC001249693233 805215157 /nfs/dbraw/zinc/21/51/57/805215157.db2.gz JEQMPKYZLPSORP-UHFFFAOYSA-N 1 1 289.398 3.002 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cnc(Cl)c(OC)c1 ZINC001249931400 805310980 /nfs/dbraw/zinc/31/09/80/805310980.db2.gz KIEYYNKKXUVHHI-UHFFFAOYSA-N 1 1 254.761 3.142 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)CCCCC ZINC001151880546 805319795 /nfs/dbraw/zinc/31/97/95/805319795.db2.gz YDJPHXNRLORNQU-CYBMUJFWSA-N 1 1 274.836 3.146 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)CCCCC ZINC001151880546 805319805 /nfs/dbraw/zinc/31/98/05/805319805.db2.gz YDJPHXNRLORNQU-CYBMUJFWSA-N 1 1 274.836 3.146 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(F)cc(N(C)C)c1 ZINC001249955787 805325110 /nfs/dbraw/zinc/32/51/10/805325110.db2.gz VHWZPGIARPQIDK-UHFFFAOYSA-N 1 1 250.361 3.290 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)CCCC ZINC001152018994 805331742 /nfs/dbraw/zinc/33/17/42/805331742.db2.gz GAWVFSJLCMODAT-CVEARBPZSA-N 1 1 280.456 3.053 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C=C1CCCCC1 ZINC001152179654 805338631 /nfs/dbraw/zinc/33/86/31/805338631.db2.gz JDLYLQNUVRTMLH-CQSZACIVSA-N 1 1 298.858 3.456 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C=C1CCCCC1 ZINC001152179654 805338636 /nfs/dbraw/zinc/33/86/36/805338636.db2.gz JDLYLQNUVRTMLH-CQSZACIVSA-N 1 1 298.858 3.456 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)C(C)C ZINC001152339100 805345599 /nfs/dbraw/zinc/34/55/99/805345599.db2.gz AYRYBKSVMKDIIH-HZPDHXFCSA-N 1 1 282.472 3.461 20 30 CGEDMO C#CCCCC(=O)NC[C@@H](C)[N@@H+](CC)CCCCCC=C ZINC001153024748 805381334 /nfs/dbraw/zinc/38/13/34/805381334.db2.gz BNZPABLMTSVIFA-QGZVFWFLSA-N 1 1 292.467 3.363 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C1CC(C)(C)C1 ZINC001153096757 805383786 /nfs/dbraw/zinc/38/37/86/805383786.db2.gz RFJUCXYVMJGKBP-GFCCVEGCSA-N 1 1 286.847 3.002 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C1CC(C)(C)C1 ZINC001153096757 805383791 /nfs/dbraw/zinc/38/37/91/805383791.db2.gz RFJUCXYVMJGKBP-GFCCVEGCSA-N 1 1 286.847 3.002 20 30 CGEDMO CC[N@@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)C#CC(C)C ZINC001153207742 805387564 /nfs/dbraw/zinc/38/75/64/805387564.db2.gz RWZBGLKZVOMPGB-MRXNPFEDSA-N 1 1 294.483 3.299 20 30 CGEDMO CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)C#CC1CC1 ZINC001153281125 805390104 /nfs/dbraw/zinc/39/01/04/805390104.db2.gz FXLMJNZNAUQANE-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C[NH+]1CCN(C2(c3ccc(CCCCC#N)cc3)CC2)CC1 ZINC001250065979 805399725 /nfs/dbraw/zinc/39/97/25/805399725.db2.gz LWIODILRXJADHV-UHFFFAOYSA-N 1 1 297.446 3.159 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1csc(C)c1C ZINC001153560653 805401638 /nfs/dbraw/zinc/40/16/38/805401638.db2.gz FMPNXXFHKZIJTD-GFCCVEGCSA-N 1 1 294.464 3.381 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)C1CCCC1 ZINC001153846278 805417638 /nfs/dbraw/zinc/41/76/38/805417638.db2.gz HNNHWWRTHOYCFH-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC12CC2 ZINC001154015359 805427294 /nfs/dbraw/zinc/42/72/94/805427294.db2.gz FBYBVGHUWMMZJU-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)C(C)(C)C ZINC001154025704 805427567 /nfs/dbraw/zinc/42/75/67/805427567.db2.gz JMNIERPOCYJPAA-KGLIPLIRSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CC(C)(C)CCCNC(=O)[C@@H]1CC[N@H+]1C1CCCC1 ZINC001154224244 805442163 /nfs/dbraw/zinc/44/21/63/805442163.db2.gz VFRLORNYBPVQFG-HNNXBMFYSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001154431672 805456645 /nfs/dbraw/zinc/45/66/45/805456645.db2.gz OFTSPVQBMVXRSD-LTIDMASMSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)C[C@@H](C)CC ZINC001154584800 805465016 /nfs/dbraw/zinc/46/50/16/805465016.db2.gz YPPJEDNRSYKNRW-LSDHHAIUSA-N 1 1 282.472 3.461 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)[N@H+](CC)CCCC ZINC001154742589 805480996 /nfs/dbraw/zinc/48/09/96/805480996.db2.gz IYRBPJNCJPGWCJ-HUUCEWRRSA-N 1 1 268.445 3.215 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC1(C)C ZINC001154737443 805481445 /nfs/dbraw/zinc/48/14/45/805481445.db2.gz WVYAODXIABXZBO-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C[NH+](C)Cc1cccc(CC(=O)c2ccc(C#N)cc2)c1F ZINC001250208798 805491239 /nfs/dbraw/zinc/49/12/39/805491239.db2.gz PHQSDXMLFFVHAF-UHFFFAOYSA-N 1 1 296.345 3.184 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)C1(C)CC(=C)C1 ZINC001155132214 805543737 /nfs/dbraw/zinc/54/37/37/805543737.db2.gz FNLWFIWELJJDRA-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C[C@H]1CC[N@H+](C2CCC(C#N)CC2)CCC1(F)F ZINC001256965422 807018206 /nfs/dbraw/zinc/01/82/06/807018206.db2.gz UAFDISRUFSPMIO-HIFPTAJRSA-N 1 1 256.340 3.436 20 30 CGEDMO C=CC[N@H+]([C@H]1CC[C@H](C(=O)OCC)C1)C(C)(C)C ZINC001257067463 807039876 /nfs/dbraw/zinc/03/98/76/807039876.db2.gz FLOFLAHFUKKRPB-STQMWFEESA-N 1 1 253.386 3.005 20 30 CGEDMO COc1ccc2cc[nH+]c(N3CCC[C@H](CC#N)C3)c2c1 ZINC001166742007 807089578 /nfs/dbraw/zinc/08/95/78/807089578.db2.gz WYJSNBRPTSFBDN-CYBMUJFWSA-N 1 1 281.359 3.373 20 30 CGEDMO C=CCOC[C@H]1CCC[C@@]12C[N@H+](C1CCCC1)CCO2 ZINC001257352805 807118315 /nfs/dbraw/zinc/11/83/15/807118315.db2.gz FTULCSRNJNKRMR-NVXWUHKLSA-N 1 1 279.424 3.003 20 30 CGEDMO Cc1[nH+]c(N(C)CC2CCCCC2)ccc1CC#N ZINC001167096783 807149104 /nfs/dbraw/zinc/14/91/04/807149104.db2.gz IPBPMRSHBIEWEC-UHFFFAOYSA-N 1 1 257.381 3.473 20 30 CGEDMO C=CC[C@H]([NH2+][C@@H](C)CC[C@H](C)CCC)C(=O)OC ZINC001257472112 807172462 /nfs/dbraw/zinc/17/24/62/807172462.db2.gz QOZXHYFFDFNPJQ-RDBSUJKOSA-N 1 1 255.402 3.299 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CCC[C@H](Cc2ccc(C)cc2)C1 ZINC001167264524 807173056 /nfs/dbraw/zinc/17/30/56/807173056.db2.gz MENFEYIKBSRBHR-MSOLQXFVSA-N 1 1 273.420 3.187 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CCC[C@@H](Cc2ccc(C)cc2)C1 ZINC001167264530 807173528 /nfs/dbraw/zinc/17/35/28/807173528.db2.gz MENFEYIKBSRBHR-ZWKOTPCHSA-N 1 1 273.420 3.187 20 30 CGEDMO C=CC[N@@H+](C[C@@H]1C[C@]12CCOC2)CC1CCCCC1 ZINC001167392391 807190236 /nfs/dbraw/zinc/19/02/36/807190236.db2.gz TXEVPWSEYODKNJ-IRXDYDNUSA-N 1 1 263.425 3.481 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)C[C@H]1CC(C)(C)CO1 ZINC001167458191 807193994 /nfs/dbraw/zinc/19/39/94/807193994.db2.gz RWGFSMUSNBIBGL-CYBMUJFWSA-N 1 1 252.402 3.063 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@H]1CC(C)(C)CO1 ZINC001167458191 807193998 /nfs/dbraw/zinc/19/39/98/807193998.db2.gz RWGFSMUSNBIBGL-CYBMUJFWSA-N 1 1 252.402 3.063 20 30 CGEDMO C=C[C@H](C(=O)NC(C)(C)C[N@H+](C)CCC)c1ccccc1 ZINC001167706810 807229831 /nfs/dbraw/zinc/22/98/31/807229831.db2.gz PDRWFWMKOKNJEW-INIZCTEOSA-N 1 1 288.435 3.193 20 30 CGEDMO COc1c[nH+]c(N[C@@H](C)c2cccc(C#N)c2)cc1C ZINC001167707135 807230053 /nfs/dbraw/zinc/23/00/53/807230053.db2.gz FQMVLLLMJYFREC-LBPRGKRZSA-N 1 1 267.332 3.443 20 30 CGEDMO CCC[N@@H+](CCC#N)C1CCC(OC(C)C)CC1 ZINC001257882391 807236501 /nfs/dbraw/zinc/23/65/01/807236501.db2.gz LASRMNAPIPXGDN-UHFFFAOYSA-N 1 1 252.402 3.348 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3C[C@@H](C(=O)OC)CC[C@H]3C)C[C@H](C1)C2 ZINC001257895278 807244818 /nfs/dbraw/zinc/24/48/18/807244818.db2.gz OBXNAFHYLMDGPR-ILUDGRTOSA-N 1 1 291.435 3.395 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3C[C@@H](C)N(C)[C@@H](C)C3)C[C@H](C1)C2 ZINC001257895277 807245193 /nfs/dbraw/zinc/24/51/93/807245193.db2.gz OBNFQAVNEPMKCQ-SJJOOFSGSA-N 1 1 262.441 3.146 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CC[C@H](C(=O)OC)C1 ZINC001258044587 807273846 /nfs/dbraw/zinc/27/38/46/807273846.db2.gz RLBBXRQRCZBWEL-KBPBESRZSA-N 1 1 255.402 3.230 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC001258046961 807273948 /nfs/dbraw/zinc/27/39/48/807273948.db2.gz GILPQKWVYBDQQN-IAGOWNOFSA-N 1 1 282.472 3.142 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1CC[C@@H](C(=O)OC)C1 ZINC001258044590 807274363 /nfs/dbraw/zinc/27/43/63/807274363.db2.gz RLBBXRQRCZBWEL-ZIAGYGMSSA-N 1 1 255.402 3.230 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)C ZINC001258048325 807276007 /nfs/dbraw/zinc/27/60/07/807276007.db2.gz SYBOAUHGKQWJJN-NCOADZHNSA-N 1 1 294.483 3.438 20 30 CGEDMO CC(C)C[C@](C)(C#N)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167977333 807291509 /nfs/dbraw/zinc/29/15/09/807291509.db2.gz BHUAREOMPASRCU-HQSKLWIPSA-N 1 1 289.467 3.310 20 30 CGEDMO CC(C)(C)C#CC[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC001258136917 807320385 /nfs/dbraw/zinc/32/03/85/807320385.db2.gz ZHRNOROCGWHUTK-UHFFFAOYSA-N 1 1 298.474 3.333 20 30 CGEDMO C=CCOC(=O)N[C@H]1CCC[N@H+]([C@@H]2CCCC(C)(C)C2)C1 ZINC001258298134 807402867 /nfs/dbraw/zinc/40/28/67/807402867.db2.gz LCNRDTCOSQMHQH-LSDHHAIUSA-N 1 1 294.439 3.332 20 30 CGEDMO C[N@H+]1CC[C@H](c2ccc(NCCCCC#N)cc2)C1 ZINC001168436239 807414309 /nfs/dbraw/zinc/41/43/09/807414309.db2.gz MJSHCKPABQUFNK-HNNXBMFYSA-N 1 1 257.381 3.211 20 30 CGEDMO C=CCN1C(=O)CC[C@@]12CCC[N@H+]([C@H](C)CC1CC1)CC2 ZINC001258465743 807466674 /nfs/dbraw/zinc/46/66/74/807466674.db2.gz NKJUMDOTCSLIKG-CRAIPNDOSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[C@@](C)([NH2+][C@H](CCC)Cc1ccccc1)C(=O)OC ZINC001258654891 807524418 /nfs/dbraw/zinc/52/44/18/807524418.db2.gz UVBZLHUCTMFTIN-SJLPKXTDSA-N 1 1 289.419 3.495 20 30 CGEDMO CC[C@@H](c1ccncc1)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC001168910637 807537460 /nfs/dbraw/zinc/53/74/60/807537460.db2.gz CEVARAJZPBHBII-ZWKOTPCHSA-N 1 1 295.386 3.070 20 30 CGEDMO C=CCC[C@H](C)NC(=[NH2+])c1ncccc1OCCC ZINC001258724147 807572267 /nfs/dbraw/zinc/57/22/67/807572267.db2.gz OHMMJICUEWANDR-LBPRGKRZSA-N 1 1 261.369 3.140 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001258724720 807573550 /nfs/dbraw/zinc/57/35/50/807573550.db2.gz DCAWQNGDZWONOH-HBNTYKKESA-N 1 1 253.283 3.421 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@]2(CCCN2C(=O)C(C)C)C1 ZINC001258730118 807575719 /nfs/dbraw/zinc/57/57/19/807575719.db2.gz BDANBORVPXDVOW-RDJZCZTQSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CCn2cc(C(F)(F)F)nc2C1 ZINC001258734584 807580356 /nfs/dbraw/zinc/58/03/56/807580356.db2.gz FTAHAQWLBNCCIL-SNVBAGLBSA-N 1 1 273.302 3.072 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCn2cc(C(F)(F)F)nc2C1 ZINC001258734584 807580360 /nfs/dbraw/zinc/58/03/60/807580360.db2.gz FTAHAQWLBNCCIL-SNVBAGLBSA-N 1 1 273.302 3.072 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@H+]([C@@H]3CCC[C@H](C)C3)C2)C1=O ZINC001258819692 807636035 /nfs/dbraw/zinc/63/60/35/807636035.db2.gz GMMYFYKBUSIXSS-JZXOWHBKSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H]1CCC[C@H](C)C1)C2 ZINC001258823686 807638180 /nfs/dbraw/zinc/63/81/80/807638180.db2.gz NNZVMVRSEKVDFR-XWTMOSNGSA-N 1 1 293.451 3.391 20 30 CGEDMO CCCC[N@@H+](CCC#N)[C@H]1CCCN(C(=O)OCC)CC1 ZINC001169695294 807689408 /nfs/dbraw/zinc/68/94/08/807689408.db2.gz VPCNAOLWQYKHIO-HNNXBMFYSA-N 1 1 295.427 3.013 20 30 CGEDMO C#C[C@](C)(CC)Nc1ccc([C@H]2CCCC[N@H+]2C)cn1 ZINC001169697970 807690816 /nfs/dbraw/zinc/69/08/16/807690816.db2.gz PHDNGASYAIVMAD-NVXWUHKLSA-N 1 1 271.408 3.452 20 30 CGEDMO C=C[C@@H](CO)Nc1[nH+]ccc2cc(-c3ccc(F)cc3)[nH]c21 ZINC001169779603 807707808 /nfs/dbraw/zinc/70/78/08/807707808.db2.gz NZNVAPJKWBRLJR-AWEZNQCLSA-N 1 1 297.333 3.328 20 30 CGEDMO CC1(C)CC(=O)C=C(Nc2ccc3[nH]c[nH+]c3c2)C1 ZINC001169953201 807729384 /nfs/dbraw/zinc/72/93/84/807729384.db2.gz QIAXWUVGEFGSQW-UHFFFAOYSA-N 1 1 255.321 3.248 20 30 CGEDMO CCCC[N@@H+](CCC#N)C1CC(C)(C)N(O)C(C)(C)C1 ZINC001170003098 807737520 /nfs/dbraw/zinc/73/75/20/807737520.db2.gz XXPWJVHSELSAIV-UHFFFAOYSA-N 1 1 281.444 3.413 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@H](CC)Cc2ccc3c(c2)OCO3)C1 ZINC001170450174 807845678 /nfs/dbraw/zinc/84/56/78/807845678.db2.gz RWESWVKWAWOJJF-GOEBONIOSA-N 1 1 285.387 3.082 20 30 CGEDMO C=CCn1cnn(C[N@H+]2CC(C)(C)[C@H]3CCC[C@H]32)c1=S ZINC001262482759 807866829 /nfs/dbraw/zinc/86/68/29/807866829.db2.gz LXSUIDDOOOUSGM-QWHCGFSZSA-N 1 1 292.452 3.068 20 30 CGEDMO C=CCn1cnn(C[N@@H+]2CC(C)(C)[C@H]3CCC[C@H]32)c1=S ZINC001262482759 807866837 /nfs/dbraw/zinc/86/68/37/807866837.db2.gz LXSUIDDOOOUSGM-QWHCGFSZSA-N 1 1 292.452 3.068 20 30 CGEDMO N#CC[C@H]1CCC[N@H+]([C@H]2CCc3cccc(F)c3C2)C1 ZINC001171002247 807956233 /nfs/dbraw/zinc/95/62/33/807956233.db2.gz TXXUTPSPTKTAGC-HIFRSBDPSA-N 1 1 272.367 3.309 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)CCc1ccccn1 ZINC001171204069 808009288 /nfs/dbraw/zinc/00/92/88/808009288.db2.gz SGMFBJKRGYCVNR-HNNXBMFYSA-N 1 1 279.387 3.059 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+](C)CC(=O)c1ccccc1 ZINC001171228646 808013799 /nfs/dbraw/zinc/01/37/99/808013799.db2.gz HOLSDGIABDHGDC-OAHLLOKOSA-N 1 1 292.382 3.304 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)CC(=O)c1ccccc1 ZINC001171228646 808013802 /nfs/dbraw/zinc/01/38/02/808013802.db2.gz HOLSDGIABDHGDC-OAHLLOKOSA-N 1 1 292.382 3.304 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)N1CCC([N@@H+](C)C2CC2)CC1 ZINC001171229912 808014254 /nfs/dbraw/zinc/01/42/54/808014254.db2.gz ROBIMJBOYUAXEQ-OAHLLOKOSA-N 1 1 297.446 3.048 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCN(C)CC12CCCC2 ZINC001171231944 808015911 /nfs/dbraw/zinc/01/59/11/808015911.db2.gz OLSADSXLPCJILY-MRXNPFEDSA-N 1 1 297.446 3.049 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)N1CC[N@H+](C)CC12CCCC2 ZINC001171231944 808015917 /nfs/dbraw/zinc/01/59/17/808015917.db2.gz OLSADSXLPCJILY-MRXNPFEDSA-N 1 1 297.446 3.049 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)N1CC[N@@H+](C)CC12CCCC2 ZINC001171231944 808015921 /nfs/dbraw/zinc/01/59/21/808015921.db2.gz OLSADSXLPCJILY-MRXNPFEDSA-N 1 1 297.446 3.049 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]2[C@H](NC(=O)/C(C)=C/C)C(C)(C)[C@H]21 ZINC001264029441 808029585 /nfs/dbraw/zinc/02/95/85/808029585.db2.gz DIJNUFLDJAYSCM-FUICTOCGSA-N 1 1 290.451 3.134 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C(CC)CC)C(C)(C)[C@H]21 ZINC001264030969 808029813 /nfs/dbraw/zinc/02/98/13/808029813.db2.gz ZJSJHZHJXNSRFL-PMPSAXMXSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1CC[N@@H+](CC(=C)C)[C@@H]1CC ZINC001264061608 808032857 /nfs/dbraw/zinc/03/28/57/808032857.db2.gz FITFPCWIZPMYIQ-UXLLHSPISA-N 1 1 278.440 3.134 20 30 CGEDMO N#C[C@H]1CCC[N@H+]([C@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171382716 808040524 /nfs/dbraw/zinc/04/05/24/808040524.db2.gz CYIVQXUHVGLZHR-WFASDCNBSA-N 1 1 290.357 3.448 20 30 CGEDMO C[C@@H]1[C@@H](NC(=O)C#CC(C)(C)C)CC[N@H+]1CCC(C)(C)C ZINC001264140775 808040579 /nfs/dbraw/zinc/04/05/79/808040579.db2.gz SBERHRARBREDQH-CABCVRRESA-N 1 1 292.467 3.051 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)/C(C)=C/C ZINC001264180550 808044370 /nfs/dbraw/zinc/04/43/70/808044370.db2.gz IJJSILJELRSGHG-KBHCHJSJSA-N 1 1 278.440 3.232 20 30 CGEDMO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)CCCCC ZINC001264381116 808065400 /nfs/dbraw/zinc/06/54/00/808065400.db2.gz XFBXVCVUVIZWKC-MRXNPFEDSA-N 1 1 292.467 3.149 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)CCCCC ZINC001264381116 808065406 /nfs/dbraw/zinc/06/54/06/808065406.db2.gz XFBXVCVUVIZWKC-MRXNPFEDSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)CC)C[C@@H]2C1 ZINC001264642851 808083805 /nfs/dbraw/zinc/08/38/05/808083805.db2.gz UQKBWIIBHCONMT-BBWFWOEESA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](CC2CC(C)(C)C2)[C@@H]1C ZINC001264703978 808086287 /nfs/dbraw/zinc/08/62/87/808086287.db2.gz LKLSTOXBQTYYED-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@@H]2CCc3c(C)cccc3C2)C1 ZINC001171573389 808100539 /nfs/dbraw/zinc/10/05/39/808100539.db2.gz HLFXSDFECVQWFG-NVXWUHKLSA-N 1 1 253.389 3.198 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)C2CC(C)C2)C1 ZINC001265209679 808119624 /nfs/dbraw/zinc/11/96/24/808119624.db2.gz BXYTYBKFQNJZAL-OFLPRAFFSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCC[N@H+](CCCCC)C1 ZINC001265224752 808121980 /nfs/dbraw/zinc/12/19/80/808121980.db2.gz JNKSHZRLDGAIET-WBVHZDCISA-N 1 1 280.456 3.360 20 30 CGEDMO C[C@@H]1C[C@@H](N2CCC[C@@H](CC#N)C2)C[N@H+]1Cc1ccccc1 ZINC001171765538 808132930 /nfs/dbraw/zinc/13/29/30/808132930.db2.gz YIQHEJJMUMHPTN-NZSAHSFTSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](CC#N)C2)CN1Cc1ccccc1 ZINC001171765538 808132935 /nfs/dbraw/zinc/13/29/35/808132935.db2.gz YIQHEJJMUMHPTN-NZSAHSFTSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](CC#N)C2)CN1Cc1ccccc1 ZINC001171765538 808132941 /nfs/dbraw/zinc/13/29/41/808132941.db2.gz YIQHEJJMUMHPTN-NZSAHSFTSA-N 1 1 297.446 3.275 20 30 CGEDMO CCCN(CCC#N)[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171763732 808133365 /nfs/dbraw/zinc/13/33/65/808133365.db2.gz QGYNIFSZIWSKJL-WMZOPIPTSA-N 1 1 285.435 3.275 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](C)C2CCC2)C1 ZINC001265390288 808138165 /nfs/dbraw/zinc/13/81/65/808138165.db2.gz BEEOZFMQYZIHBZ-HZPDHXFCSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC001171848097 808149331 /nfs/dbraw/zinc/14/93/31/808149331.db2.gz YKAZXWOVKZDOIT-AWEZNQCLSA-N 1 1 273.376 3.246 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCCC2(CCCC2)CC1 ZINC001171915390 808154070 /nfs/dbraw/zinc/15/40/70/808154070.db2.gz DOZOGOZKEKFYOT-OAHLLOKOSA-N 1 1 251.414 3.360 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCC[N@H+](CCCC)C1 ZINC001265590595 808158586 /nfs/dbraw/zinc/15/85/86/808158586.db2.gz CVEMURSMGMQBSA-DOTOQJQBSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)C(CC)CC)C1 ZINC001265586975 808159065 /nfs/dbraw/zinc/15/90/65/808159065.db2.gz SLEOJWKAHOHWGA-HOTGVXAUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C)CCC ZINC001265640719 808162514 /nfs/dbraw/zinc/16/25/14/808162514.db2.gz JITSUBHCIXPZMX-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO CN(CCC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974908 808163915 /nfs/dbraw/zinc/16/39/15/808163915.db2.gz AXLRPJZFZVQVDU-KRWDZBQOSA-N 1 1 285.435 3.275 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1(C)CCC(C)CC1 ZINC001265657692 808165852 /nfs/dbraw/zinc/16/58/52/808165852.db2.gz INTSUDRHXYLENJ-UPTPFMHGSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CCC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001265702728 808170949 /nfs/dbraw/zinc/17/09/49/808170949.db2.gz HDVSFAFTTPDUFA-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO CC#CC[N@H+](CC)CCCNC(=O)[C@@]1(C)CCC[C@@H]1CC ZINC001266054098 808205250 /nfs/dbraw/zinc/20/52/50/808205250.db2.gz HXOMUMNUACEWPI-WMZOPIPTSA-N 1 1 292.467 3.054 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCCNC(=O)C1(C)CCCC1 ZINC001266069345 808207877 /nfs/dbraw/zinc/20/78/77/808207877.db2.gz ZRZZNAKCHPTULD-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)CC2CC2)C1 ZINC001266087737 808209379 /nfs/dbraw/zinc/20/93/79/808209379.db2.gz AORDRWGHVOVXQF-GOEBONIOSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)CCCC)C1 ZINC001266099500 808211124 /nfs/dbraw/zinc/21/11/24/808211124.db2.gz GZTRIORGCXARIA-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@@H]1COC(C)(C)C1 ZINC001172287432 808215721 /nfs/dbraw/zinc/21/57/21/808215721.db2.gz VEDUYOJSYLCPJF-DOTOQJQBSA-N 1 1 269.388 3.177 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1cncs1 ZINC001172310669 808223297 /nfs/dbraw/zinc/22/32/97/808223297.db2.gz HEEHIPJPQAYIDX-GFCCVEGCSA-N 1 1 271.389 3.078 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC001172316977 808226851 /nfs/dbraw/zinc/22/68/51/808226851.db2.gz ZJIPQZLPAUOBMO-DVOMOZLQSA-N 1 1 260.356 3.169 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@](C)(CF)C1 ZINC001172316279 808227108 /nfs/dbraw/zinc/22/71/08/808227108.db2.gz QZNQOEHFCFMDLR-CZUORRHYSA-N 1 1 260.356 3.171 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C(C)=C2CCC2)C1 ZINC001266216034 808228022 /nfs/dbraw/zinc/22/80/22/808228022.db2.gz PIPXQKVZKWTDCW-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC001172318366 808228456 /nfs/dbraw/zinc/22/84/56/808228456.db2.gz FFNDWXWVAMLUMU-WFASDCNBSA-N 1 1 276.330 3.220 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1nccs1 ZINC001172320268 808229102 /nfs/dbraw/zinc/22/91/02/808229102.db2.gz UKLPQKIJLBWSLL-LBPRGKRZSA-N 1 1 271.389 3.078 20 30 CGEDMO C=CCCC(=O)NCC[N@@H+](C)[C@@H](C)c1ccc(F)cc1F ZINC001266262712 808235674 /nfs/dbraw/zinc/23/56/74/808235674.db2.gz RYJRCNQLYHONDN-LBPRGKRZSA-N 1 1 296.361 3.040 20 30 CGEDMO C=CCCC(=O)NCC[N@H+](C)[C@@H](C)c1ccc(F)cc1F ZINC001266262712 808235675 /nfs/dbraw/zinc/23/56/75/808235675.db2.gz RYJRCNQLYHONDN-LBPRGKRZSA-N 1 1 296.361 3.040 20 30 CGEDMO C=CC(C)(C)CC(=O)NCC[N@H+](C)CC1CC2(CCC2)C1 ZINC001266278972 808237083 /nfs/dbraw/zinc/23/70/83/808237083.db2.gz YCKREEMTFRXJOL-UHFFFAOYSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCNC(=O)c1ccc(C(F)F)cc1 ZINC001266340266 808244943 /nfs/dbraw/zinc/24/49/43/808244943.db2.gz QFOPJNAFHJYGHF-UHFFFAOYSA-N 1 1 296.361 3.252 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001266343879 808245071 /nfs/dbraw/zinc/24/50/71/808245071.db2.gz AMIFIZJDJZTCFF-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO CC#CCCCC(=O)N[C@@H]1CC[N@H+](CC/C=C\CCC)C1 ZINC001266336358 808245247 /nfs/dbraw/zinc/24/52/47/808245247.db2.gz ODQFWGLRHUESIH-NBEHIINDSA-N 1 1 290.451 3.117 20 30 CGEDMO C=C(C)C[N@H+](C)CCNC(=O)c1ccc(CC(C)C)cc1 ZINC001266358471 808247614 /nfs/dbraw/zinc/24/76/14/808247614.db2.gz SCCPMCOLBMVTKR-UHFFFAOYSA-N 1 1 288.435 3.123 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)C1(CC)CCCCC1 ZINC001266362407 808250155 /nfs/dbraw/zinc/25/01/55/808250155.db2.gz HBUWENZSRFKDGL-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1C[C@@H]2CCNC(=O)[C@@H]2C1 ZINC001172354702 808251491 /nfs/dbraw/zinc/25/14/91/808251491.db2.gz KJTLOWMCTSDQRU-ARFHVFGLSA-N 1 1 280.456 3.193 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)C1CCCCCC1 ZINC001266381374 808253554 /nfs/dbraw/zinc/25/35/54/808253554.db2.gz XXIQDYMIGNYKPO-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO CCCCCCC[C@H](CC)[NH+]1CC(N2CCN(C)CC2)C1 ZINC001172359744 808254283 /nfs/dbraw/zinc/25/42/83/808254283.db2.gz CWZBZYOUXRYBTI-KRWDZBQOSA-N 1 1 295.515 3.057 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CC)CCNC(=O)C1(F)CCCCC1 ZINC001266428243 808262375 /nfs/dbraw/zinc/26/23/75/808262375.db2.gz NOEUYKMIXFCION-OAHLLOKOSA-N 1 1 298.446 3.452 20 30 CGEDMO C#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](CC)CCCC)C1 ZINC001266448020 808266997 /nfs/dbraw/zinc/26/69/97/808266997.db2.gz FLEDIJRJSVYMDW-SJORKVTESA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)C2CCCCC2)C1 ZINC001266449252 808267139 /nfs/dbraw/zinc/26/71/39/808267139.db2.gz ZYSPMOJCQAHEGR-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCC[N@@H+]1[C@@H](C)c1ccccc1 ZINC001266450879 808267169 /nfs/dbraw/zinc/26/71/69/808267169.db2.gz WRJNXTQKPFDKGI-RDJZCZTQSA-N 1 1 286.419 3.294 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001266465741 808271010 /nfs/dbraw/zinc/27/10/10/808271010.db2.gz BBFXINYMNBNPDL-BRWVUGGUSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1CCC[N@H+]1CCC(C)(C)C ZINC001266464753 808271137 /nfs/dbraw/zinc/27/11/37/808271137.db2.gz HZXSBBMFDCNHCF-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)C[C@H](C)CC(C)C)C1 ZINC001266472871 808272702 /nfs/dbraw/zinc/27/27/02/808272702.db2.gz SIIQYUWOQHMBBX-IAGOWNOFSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)c1ccsc1 ZINC001266482664 808273822 /nfs/dbraw/zinc/27/38/22/808273822.db2.gz GHAYQAARQBPIDF-HIFRSBDPSA-N 1 1 292.448 3.008 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)C1(F)CCCCC1 ZINC001266488484 808274608 /nfs/dbraw/zinc/27/46/08/808274608.db2.gz KIHBOMGPZTWHAT-HNNXBMFYSA-N 1 1 296.430 3.206 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@](C)(CC)CCC ZINC001266496518 808276996 /nfs/dbraw/zinc/27/69/96/808276996.db2.gz PVXHZNSEYFZDAE-SOLBZPMBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@](C)(CC)CCC ZINC001266496518 808277002 /nfs/dbraw/zinc/27/70/02/808277002.db2.gz PVXHZNSEYFZDAE-SOLBZPMBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H](CNC(=O)C2CCC(=C)CC2)C1 ZINC001266534222 808282972 /nfs/dbraw/zinc/28/29/72/808282972.db2.gz XHMFCKFOVVHMCX-MRXNPFEDSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](CCCC)C(C)C)C1 ZINC001266551321 808285835 /nfs/dbraw/zinc/28/58/35/808285835.db2.gz PHRMXEIJJLSLOE-IRXDYDNUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](CCCC)C(C)C)C1 ZINC001266551322 808285874 /nfs/dbraw/zinc/28/58/74/808285874.db2.gz PHRMXEIJJLSLOE-SJORKVTESA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)CC[N@@H+](CCC)CCNC(=O)c1ccoc1Cl ZINC001266557899 808286419 /nfs/dbraw/zinc/28/64/19/808286419.db2.gz BUDBCTYICQXVRW-UHFFFAOYSA-N 1 1 298.814 3.341 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)c1ccc(CC)cc1)C1CC1 ZINC001266617585 808298074 /nfs/dbraw/zinc/29/80/74/808298074.db2.gz OXYCEAMCIDZKNW-UHFFFAOYSA-N 1 1 286.419 3.019 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCC[N@@H+](C/C=C/Cl)C1 ZINC001266760914 808313635 /nfs/dbraw/zinc/31/36/35/808313635.db2.gz OYLORTACMKSQIH-RXQWTSATSA-N 1 1 298.858 3.169 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC[C@@H](C)F ZINC001266845398 808323702 /nfs/dbraw/zinc/32/37/02/808323702.db2.gz YADSZPYTCPKPPS-CABCVRRESA-N 1 1 284.419 3.062 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C1(CF)CCC1 ZINC001266855705 808325026 /nfs/dbraw/zinc/32/50/26/808325026.db2.gz FUNUHFMCSQBTSZ-HNNXBMFYSA-N 1 1 296.430 3.063 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCCC2CC2)C1 ZINC001266893170 808331922 /nfs/dbraw/zinc/33/19/22/808331922.db2.gz BAHGLYFHRGQFKC-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C[C@H](CCCC#N)[NH2+][C@H](CCN(C)C)c1ccccc1 ZINC001172479699 808343069 /nfs/dbraw/zinc/34/30/69/808343069.db2.gz KAHVNPNYQRGOSM-NVXWUHKLSA-N 1 1 273.424 3.351 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCOC[C@@H]1c1ccccc1 ZINC001172494519 808352783 /nfs/dbraw/zinc/35/27/83/808352783.db2.gz VEWZSABGKXMBLX-GOEBONIOSA-N 1 1 258.365 3.142 20 30 CGEDMO COc1ccc2c(c1)CC[N@@H+]([C@H](C)CCCC#N)C2 ZINC001172494186 808353915 /nfs/dbraw/zinc/35/39/15/808353915.db2.gz RVAFGCVISXUWQS-CYBMUJFWSA-N 1 1 258.365 3.136 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001172499197 808355358 /nfs/dbraw/zinc/35/53/58/808355358.db2.gz BWAKDSAEUYNKEF-NVXWUHKLSA-N 1 1 297.402 3.484 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001172503328 808359556 /nfs/dbraw/zinc/35/95/56/808359556.db2.gz ADGFXEQADMWAPD-YTQUADARSA-N 1 1 297.446 3.133 20 30 CGEDMO C[C@@H](CCCC#N)[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001172503328 808359567 /nfs/dbraw/zinc/35/95/67/808359567.db2.gz ADGFXEQADMWAPD-YTQUADARSA-N 1 1 297.446 3.133 20 30 CGEDMO CCCCCCCC[C@H](CC)[N@H+]1CCOC[C@H](O)C1 ZINC001172505210 808359866 /nfs/dbraw/zinc/35/98/66/808359866.db2.gz JVNSBMIYBJGUJW-JKSUJKDBSA-N 1 1 271.445 3.209 20 30 CGEDMO CCCCCCCC[C@H](CC)[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC001172504080 808361196 /nfs/dbraw/zinc/36/11/96/808361196.db2.gz CTRHGQVMWOVUBZ-IKGGRYGDSA-N 1 1 285.472 3.191 20 30 CGEDMO CCCCCCC[C@H](CCC)[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC001172507799 808363383 /nfs/dbraw/zinc/36/33/83/808363383.db2.gz BQLSTANXXZOTIR-YESZJQIVSA-N 1 1 285.472 3.191 20 30 CGEDMO CCCCCCC[C@H](CCC)[N@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC001172510912 808365627 /nfs/dbraw/zinc/36/56/27/808365627.db2.gz JXZOVYAHYUXGMQ-KKUMJFAQSA-N 1 1 286.435 3.413 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCOC[C@H]1C1CCCCC1 ZINC001172509785 808366274 /nfs/dbraw/zinc/36/62/74/808366274.db2.gz QPJOJWAYIGTJBR-HOCLYGCPSA-N 1 1 264.413 3.350 20 30 CGEDMO C=CC[C@@](C)([NH2+][C@H]1CC[C@@H](c2ccccc2)C1)C(=O)OC ZINC001172556161 808383910 /nfs/dbraw/zinc/38/39/10/808383910.db2.gz HUDCKQFBOJYJTE-SOLBZPMBSA-N 1 1 287.403 3.420 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)c1cccs1)C(C)C ZINC001267228467 808389143 /nfs/dbraw/zinc/38/91/43/808389143.db2.gz PYUUTLVUQDQTHF-UHFFFAOYSA-N 1 1 280.437 3.155 20 30 CGEDMO C=CC[N@@H+](CC)CCNC(=O)c1ccc(C)c(C)c1Cl ZINC001267254656 808397089 /nfs/dbraw/zinc/39/70/89/808397089.db2.gz YGRIUAPOLYSLAL-UHFFFAOYSA-N 1 1 294.826 3.195 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1CC[N@H+](CC/C=C\CC)C1 ZINC001267303358 808408753 /nfs/dbraw/zinc/40/87/53/808408753.db2.gz MABORJJZLSUXGO-PTZVLDCSSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](CNC(=O)C[C@@H](C)CC(C)C)C1 ZINC001267305427 808409028 /nfs/dbraw/zinc/40/90/28/808409028.db2.gz AFCHYGXSKNALNI-JKSUJKDBSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)[C@H](C)C(C)(C)C ZINC001267315500 808412550 /nfs/dbraw/zinc/41/25/50/808412550.db2.gz LFNYWWGWSNBJNT-AWEZNQCLSA-N 1 1 268.445 3.073 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)C[C@@H]1CCCC[C@H]1C)C1CC1 ZINC001267337676 808417228 /nfs/dbraw/zinc/41/72/28/808417228.db2.gz DVDZYAQXPUGQNO-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO CC#CC[N@H+](CCNC(=O)C[C@@H](CC)C(C)(C)C)C1CC1 ZINC001267336338 808418168 /nfs/dbraw/zinc/41/81/68/808418168.db2.gz NHWICNXXFLEBAW-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CC[N@H+](CCNC(=O)[C@@H]1CCC[C@@H](C)C1)C1CC1 ZINC001267331452 808418229 /nfs/dbraw/zinc/41/82/29/808418229.db2.gz HPXDMFFFRSFSOJ-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCC[N@H+](CCCNC(=O)[C@@H]1CCC[C@@H](C)C1)C(C)C ZINC001267506876 808434506 /nfs/dbraw/zinc/43/45/06/808434506.db2.gz CJQILKJGUWHPCL-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CCC)C(=O)/C(C)=C/C)C1 ZINC001267541160 808442712 /nfs/dbraw/zinc/44/27/12/808442712.db2.gz WRUNYGMOGHLKMJ-UBYXTUIOSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCC(C)(C)C(=O)NCC[C@H]1CC[N@H+](CCC(=C)C)C1 ZINC001267566104 808449366 /nfs/dbraw/zinc/44/93/66/808449366.db2.gz BHIPXEGFVHYQOF-INIZCTEOSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCC[C@H]1CC[N@@H+](CCC(=C)C)C1 ZINC001267569845 808449790 /nfs/dbraw/zinc/44/97/90/808449790.db2.gz CVNJMWVDSOFVQD-FUHWJXTLSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCC[C@@H]1CC[N@@H+](CCC(=C)C)C1 ZINC001267569846 808449871 /nfs/dbraw/zinc/44/98/71/808449871.db2.gz CVNJMWVDSOFVQD-SJLPKXTDSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001267590055 808453151 /nfs/dbraw/zinc/45/31/51/808453151.db2.gz PCMWJYQAJKYBSJ-GVDBMIGSSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)CC[N@H+](C)CC1CCN(C(=O)CC(C)C)CC1 ZINC001267596704 808455175 /nfs/dbraw/zinc/45/51/75/808455175.db2.gz ROXDQPWPXNDBQD-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[N@H+](C)CC1CCN(C(=O)C2CCCCC2)CC1 ZINC001267596735 808455326 /nfs/dbraw/zinc/45/53/26/808455326.db2.gz SAUPWRGBNGRKOV-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)CC(C)C)C1 ZINC001267634018 808463096 /nfs/dbraw/zinc/46/30/96/808463096.db2.gz ZPUPEHACKOPMOF-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@H+](C)CC1CCN(C(=O)/C(C)=C/CC)CC1 ZINC001267718698 808475920 /nfs/dbraw/zinc/47/59/20/808475920.db2.gz QDIGYWACNLRZSY-CXUHLZMHSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCCC[N@H+](C)CC1CCN(C(=O)/C(C)=C\CC)CC1 ZINC001267718699 808476292 /nfs/dbraw/zinc/47/62/92/808476292.db2.gz QDIGYWACNLRZSY-SXGWCWSVSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C(C)C)c1ccccc1 ZINC001267716787 808476726 /nfs/dbraw/zinc/47/67/26/808476726.db2.gz NPDLIEAUQNZDLL-BZSNNMDCSA-N 1 1 298.430 3.040 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)CCCCC)C1 ZINC001267773422 808488529 /nfs/dbraw/zinc/48/85/29/808488529.db2.gz NDGFJIBIEBNBNW-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCCC(=O)N(CC)[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001267788556 808491472 /nfs/dbraw/zinc/49/14/72/808491472.db2.gz AFDVNDKNMFPSMX-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO CCCC[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172979308 808497438 /nfs/dbraw/zinc/49/74/38/808497438.db2.gz CVHKQUGALNOYEQ-KBPBESRZSA-N 1 1 295.427 3.010 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCc2ncsc2C1 ZINC001173143023 808525937 /nfs/dbraw/zinc/52/59/37/808525937.db2.gz YLIHDQYRHSKCPV-AWEZNQCLSA-N 1 1 283.400 3.004 20 30 CGEDMO C=CCC[N@H+](C)CCC1CCN(C(=O)CCCC)CC1 ZINC001268201254 808555871 /nfs/dbraw/zinc/55/58/71/808555871.db2.gz XWCFLPLHIWUIPN-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CC[N@@H+](C)CCC1CCN(C(=O)CCC(=C)C)CC1 ZINC001268197046 808555972 /nfs/dbraw/zinc/55/59/72/808555972.db2.gz CPJWICULPBAJCW-UHFFFAOYSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CC[C@@H]([NH2+][C@@H](CCCC)CC(C)C)C(=O)OC ZINC001173251321 808558229 /nfs/dbraw/zinc/55/82/29/808558229.db2.gz AROIPZSMXLJIMA-UONOGXRCSA-N 1 1 255.402 3.299 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001268229521 808561938 /nfs/dbraw/zinc/56/19/38/808561938.db2.gz UCIDKRNDYQHADL-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@@H](C)[NH+]1CC(NC(=O)c2cscc2Cl)C1 ZINC001268328014 808577449 /nfs/dbraw/zinc/57/74/49/808577449.db2.gz MUCONLYXGNYHHQ-SNVBAGLBSA-N 1 1 298.839 3.170 20 30 CGEDMO CCCCCCCC[C@H](CCC)[N@H+]1C[C@H](O)[C@@H](CO)C1 ZINC001173309187 808604672 /nfs/dbraw/zinc/60/46/72/808604672.db2.gz GKONLYQCLDRROZ-IKGGRYGDSA-N 1 1 285.472 3.191 20 30 CGEDMO C=CCOC1CCC([N@@H+]2CCn3cccc3[C@@H]2C)CC1 ZINC001173323727 808611894 /nfs/dbraw/zinc/61/18/94/808611894.db2.gz FURPGUFENCHSLZ-FHERZECASA-N 1 1 274.408 3.379 20 30 CGEDMO C=CCOC1CCC([N@H+]2CCC[C@H](OC)CC2)CC1 ZINC001173327574 808614062 /nfs/dbraw/zinc/61/40/62/808614062.db2.gz OQLMVOPHKZVWHG-PCKAHOCUSA-N 1 1 267.413 3.001 20 30 CGEDMO N#CCC1CCC([NH+]2CCC(N)(c3ccccc3)CC2)CC1 ZINC001173331659 808615785 /nfs/dbraw/zinc/61/57/85/808615785.db2.gz DEMNXXJYABRYIA-UHFFFAOYSA-N 1 1 297.446 3.409 20 30 CGEDMO C[N@H+](C1CC1)C1CCN(C2CCC(CC#N)CC2)CC1 ZINC001173337082 808618917 /nfs/dbraw/zinc/61/89/17/808618917.db2.gz YRWQQNKSFUNGQO-UHFFFAOYSA-N 1 1 275.440 3.017 20 30 CGEDMO C[N@@H+](C1CC1)C1CCN(C2CCC(CC#N)CC2)CC1 ZINC001173337082 808618918 /nfs/dbraw/zinc/61/89/18/808618918.db2.gz YRWQQNKSFUNGQO-UHFFFAOYSA-N 1 1 275.440 3.017 20 30 CGEDMO CN(C1CC1)C1CC[NH+](C2CCC(CC#N)CC2)CC1 ZINC001173337082 808618922 /nfs/dbraw/zinc/61/89/22/808618922.db2.gz YRWQQNKSFUNGQO-UHFFFAOYSA-N 1 1 275.440 3.017 20 30 CGEDMO N#CCC1CCC([N@H+]2CC[C@H](Oc3cccnc3)C2)CC1 ZINC001173339940 808619702 /nfs/dbraw/zinc/61/97/02/808619702.db2.gz VUQRLVPXZVKFGC-DQPZFDDXSA-N 1 1 285.391 3.007 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)C1CC2(CCC2)C1 ZINC001268744302 808622255 /nfs/dbraw/zinc/62/22/55/808622255.db2.gz URQRSLVOJWMUIX-LSDHHAIUSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1 ZINC001268922892 808636379 /nfs/dbraw/zinc/63/63/79/808636379.db2.gz XPHQTCAUZCEAMG-ROUUACIJSA-N 1 1 298.430 3.332 20 30 CGEDMO COC(=O)CCCC[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001173461565 808642331 /nfs/dbraw/zinc/64/23/31/808642331.db2.gz OZIQGDBXTWWNQB-AWEZNQCLSA-N 1 1 288.391 3.112 20 30 CGEDMO Cc1ccc2c(n1)N(C)CC[N@H+](C1CCC(C)(C#N)CC1)C2 ZINC001173595158 808649619 /nfs/dbraw/zinc/64/96/19/808649619.db2.gz UBJFQOLOMFAKME-UHFFFAOYSA-N 1 1 298.434 3.114 20 30 CGEDMO Cc1cccc(O[C@H]2CC[N@H+](C3CCC(C)(C#N)CC3)C2)n1 ZINC001173597254 808651050 /nfs/dbraw/zinc/65/10/50/808651050.db2.gz NLBZKVBYVYWHDQ-PQUAAJSLSA-N 1 1 299.418 3.316 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CCC[C@H]2c2cnccn2)CC1 ZINC001173599700 808651111 /nfs/dbraw/zinc/65/11/11/808651111.db2.gz OKXJYPNQUIZTFB-SIWZUTFBSA-N 1 1 270.380 3.086 20 30 CGEDMO COC(C)(C)[C@@H]1CCC[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173600161 808651157 /nfs/dbraw/zinc/65/11/57/808651157.db2.gz WHMHVWCGQVDUFL-BBBYJDLNSA-N 1 1 264.413 3.348 20 30 CGEDMO C=CCC(CC=C)C(=O)N(C)[C@H]1CC[N@H+](C[C@@H](F)CC)C1 ZINC001269245960 808660485 /nfs/dbraw/zinc/66/04/85/808660485.db2.gz POMPLOZJZGOCRE-HOTGVXAUSA-N 1 1 296.430 3.036 20 30 CGEDMO C=CCCCC[N@H+](C)[C@H]1CC[C@H](CC(=O)OCC)C1 ZINC001173655852 808661291 /nfs/dbraw/zinc/66/12/91/808661291.db2.gz BULGSDBTOYCGBC-GJZGRUSLSA-N 1 1 267.413 3.396 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N(C)[C@@H]1CC[N@H+](CC/C=C\CC)C1 ZINC001269274577 808663941 /nfs/dbraw/zinc/66/39/41/808663941.db2.gz MKQZJLBJJNHXPT-KABQWYEXSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)CC(C)=C(C)C)C1 ZINC001269339667 808672196 /nfs/dbraw/zinc/67/21/96/808672196.db2.gz PTJMNOYGONKZMC-OAHLLOKOSA-N 1 1 298.858 3.408 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)CC(C)=C(C)C)C1 ZINC001269339667 808672198 /nfs/dbraw/zinc/67/21/98/808672198.db2.gz PTJMNOYGONKZMC-OAHLLOKOSA-N 1 1 298.858 3.408 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)/C(C)=C\CC)C2)C1 ZINC001269685118 808697794 /nfs/dbraw/zinc/69/77/94/808697794.db2.gz CSVDPPGSDCWQGF-CTJNPYBDSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC2(C)C)C1 ZINC001270983556 808757924 /nfs/dbraw/zinc/75/79/24/808757924.db2.gz QQDXRIYCPRPGHU-YJBOKZPZSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC1(C(=O)N(C)CC[N@@H+](C)CCC(=C)C)CCCC1 ZINC001272185565 808799988 /nfs/dbraw/zinc/79/99/88/808799988.db2.gz PKKLVJMTVNDGLL-UHFFFAOYSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)C(C)(C)CC(C)(C)C ZINC001272178351 808800999 /nfs/dbraw/zinc/80/09/99/808800999.db2.gz IGPVQFMLYYGPOD-UHFFFAOYSA-N 1 1 282.472 3.415 20 30 CGEDMO C=CC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CC=CCC1 ZINC001272662766 808819295 /nfs/dbraw/zinc/81/92/95/808819295.db2.gz LLCUNKFHJIDWTI-INIZCTEOSA-N 1 1 298.430 3.277 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccccc1CNC(=O)C1CC=CC1 ZINC001272669960 808819418 /nfs/dbraw/zinc/81/94/18/808819418.db2.gz KVRYHPDGNMJKQJ-UHFFFAOYSA-N 1 1 298.430 3.277 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)c1csc(C)c1C ZINC001273514308 808851337 /nfs/dbraw/zinc/85/13/37/808851337.db2.gz GPLQQSLCMOLXGQ-UHFFFAOYSA-N 1 1 294.464 3.335 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@]1(C)CC=CCC1 ZINC001273514618 808851554 /nfs/dbraw/zinc/85/15/54/808851554.db2.gz JLOOTKRGCDQXMC-QGZVFWFLSA-N 1 1 278.440 3.089 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)[C@@]12C[C@@H]1CCCC2 ZINC001273560097 808853450 /nfs/dbraw/zinc/85/34/50/808853450.db2.gz KCFKGBKYXZKLGG-HOCLYGCPSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCN(C)C(=O)[C@@]12C[C@@H]1CCCC2 ZINC001273560097 808853453 /nfs/dbraw/zinc/85/34/53/808853453.db2.gz KCFKGBKYXZKLGG-HOCLYGCPSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2(CC)CC2)C(C)(C)C1 ZINC001274454721 808877677 /nfs/dbraw/zinc/87/76/77/808877677.db2.gz QEQKTFLJMUIZAR-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(CCC)CC2)C[C@H]1C ZINC001274642636 808880233 /nfs/dbraw/zinc/88/02/33/808880233.db2.gz FOBGZHDWHMTLFF-KGLIPLIRSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(CCC)CC2)C[C@H]1C ZINC001274642636 808880241 /nfs/dbraw/zinc/88/02/41/808880241.db2.gz FOBGZHDWHMTLFF-KGLIPLIRSA-N 1 1 298.858 3.288 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C1CCCCC1 ZINC001275086379 808905580 /nfs/dbraw/zinc/90/55/80/808905580.db2.gz BGBLSLNXYAQQCC-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@H]1C=CCC1 ZINC001275088356 808905736 /nfs/dbraw/zinc/90/57/36/808905736.db2.gz UVJIRBPHTAYUOO-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C#CC[N@H+](C)C[C@H]1CCCN1C(=O)CCCC[C@H](C)CC ZINC001275114980 808910560 /nfs/dbraw/zinc/91/05/60/808910560.db2.gz MNNGADARFQQFNY-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCC1 ZINC001275135068 808914448 /nfs/dbraw/zinc/91/44/48/808914448.db2.gz FSSYRGDNBYKRJE-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO CCCCCCCCCC[N@@H+]1C[C@H]2CN(C)C[C@@H](C1)O2 ZINC001275133913 808914518 /nfs/dbraw/zinc/91/45/18/808914518.db2.gz YNZQTTUKMZKLCD-CALCHBBNSA-N 1 1 282.472 3.142 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@@H](C)C1CC1 ZINC001275176437 808920192 /nfs/dbraw/zinc/92/01/92/808920192.db2.gz OJFMEMLXKOFPCD-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)c1cccc(C)c1 ZINC001275497534 808941507 /nfs/dbraw/zinc/94/15/07/808941507.db2.gz USFJQCHQNRJORJ-HNNXBMFYSA-N 1 1 274.408 3.011 20 30 CGEDMO CCC/C=C\CC[N@@H+](C)C[C@H](C)NC(=O)C#CC(C)(C)C ZINC001275550799 808947112 /nfs/dbraw/zinc/94/71/12/808947112.db2.gz BCYKLRHXTYHPTG-YDZSZYSISA-N 1 1 292.467 3.219 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)c1ccsc1C ZINC001275551920 808947287 /nfs/dbraw/zinc/94/72/87/808947287.db2.gz MHUBCVRBCVPIGP-OLZOCXBDSA-N 1 1 294.464 3.461 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)c1cc2ccccc2o1 ZINC001275714404 808960513 /nfs/dbraw/zinc/96/05/13/808960513.db2.gz WGGHTGCDBGQRSV-ZDUSSCGKSA-N 1 1 286.375 3.059 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)c1ccc(Cl)cc1F ZINC001275873690 808971928 /nfs/dbraw/zinc/97/19/28/808971928.db2.gz NGQZMCQLTYODLM-NSHDSACASA-N 1 1 298.789 3.105 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)CNC(=O)c1csc2ccccc21 ZINC001275886950 808974386 /nfs/dbraw/zinc/97/43/86/808974386.db2.gz IPXULPWOLBTHRF-GFCCVEGCSA-N 1 1 288.416 3.137 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H](C)[N@H+](C)CC/C=C\CC)C1 ZINC001275928829 808977122 /nfs/dbraw/zinc/97/71/22/808977122.db2.gz STEWJEWXNMBUSJ-ZPIQOJFGSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)CCc1ccc(C)s1 ZINC001276020982 808984617 /nfs/dbraw/zinc/98/46/17/808984617.db2.gz GGYIMSRRWYUKBD-CYBMUJFWSA-N 1 1 294.464 3.002 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H]2COC[C@H](C1)N2C1CCCC1 ZINC001276040146 808986232 /nfs/dbraw/zinc/98/62/32/808986232.db2.gz JBQLOQQIFWVJNI-HDICACEKSA-N 1 1 292.467 3.060 20 30 CGEDMO C=CCCCCCCCCC[N@H+]1C[C@@H]2COC[C@H](C1)N2C ZINC001276435868 809009065 /nfs/dbraw/zinc/00/90/65/809009065.db2.gz NPSVJEJLXGUDRN-HDICACEKSA-N 1 1 294.483 3.308 20 30 CGEDMO C#Cc1ccc(Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC001174446965 809016942 /nfs/dbraw/zinc/01/69/42/809016942.db2.gz USRIQYYXQPAGMH-UHFFFAOYSA-N 1 1 292.382 3.244 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)CC2(C)CCCC2)C(C)(C)C1 ZINC001276580867 809019309 /nfs/dbraw/zinc/01/93/09/809019309.db2.gz VUVSQPZJSPXPKQ-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)C1(C2CCCCC2)CC1 ZINC001276964666 809050650 /nfs/dbraw/zinc/05/06/50/809050650.db2.gz VQGKGKSNFUSFMJ-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)C1(C2CCCCC2)CC1 ZINC001276964666 809050655 /nfs/dbraw/zinc/05/06/55/809050655.db2.gz VQGKGKSNFUSFMJ-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO CCCCCCC[N@@H+](C)C1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC001277384627 809073223 /nfs/dbraw/zinc/07/32/23/809073223.db2.gz CHBQXVCUZJGMPS-HNNXBMFYSA-N 1 1 293.455 3.039 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H](C)C(CC)CC)CCC[C@@H]12 ZINC001278450491 809134807 /nfs/dbraw/zinc/13/48/07/809134807.db2.gz DDPNBZNZCLZIOE-YXJHDRRASA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)CCC3CCC3)CCC[C@@H]12 ZINC001278447908 809135151 /nfs/dbraw/zinc/13/51/51/809135151.db2.gz WFBLPIRIWQTPJX-AEFFLSMTSA-N 1 1 290.451 3.256 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C2(C)CCC2)[C@H]1C ZINC001278515205 809138979 /nfs/dbraw/zinc/13/89/79/809138979.db2.gz DPFNGGUPMZKQJE-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C#CCCCC(=O)N[C@H]1CCC[N@H+](CCCCCC)[C@@H]1C ZINC001278505860 809139050 /nfs/dbraw/zinc/13/90/50/809139050.db2.gz LRNFWXXMTUNWFE-SJORKVTESA-N 1 1 292.467 3.339 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C2(CC=C)CCCC2)[C@H]1C ZINC001278532469 809140486 /nfs/dbraw/zinc/14/04/86/809140486.db2.gz DUOVAEQSRWBKSQ-HZPDHXFCSA-N 1 1 290.451 3.278 20 30 CGEDMO C#CCCCCCC[N@@H+]1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC001174734401 809145953 /nfs/dbraw/zinc/14/59/53/809145953.db2.gz HCOIQXUKLXJEDZ-UKRRQHHQSA-N 1 1 273.367 3.315 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)CC(C)(C)CC)C1 ZINC001278664315 809150351 /nfs/dbraw/zinc/15/03/51/809150351.db2.gz WUEANVPDYKIHEJ-GOSISDBHSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)C2(CC=C)CCC2)C1 ZINC001278678325 809152186 /nfs/dbraw/zinc/15/21/86/809152186.db2.gz PSVZMYMCIZYZTB-KRWDZBQOSA-N 1 1 290.451 3.137 20 30 CGEDMO C#CCC[N@H+](C)CCN(C(=O)CCC1CCCC1)C(C)C ZINC001278889383 809154212 /nfs/dbraw/zinc/15/42/12/809154212.db2.gz TWWYGEJHXRUTFV-UHFFFAOYSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)CCC(F)(F)F)C(C)C ZINC001278900624 809155043 /nfs/dbraw/zinc/15/50/43/809155043.db2.gz YMSZEDCOGZSHQV-UHFFFAOYSA-N 1 1 294.361 3.074 20 30 CGEDMO C=C(C)CCC(=O)N(CC[N@@H+](C)CC(=C)C)C(C)C ZINC001278908545 809155821 /nfs/dbraw/zinc/15/58/21/809155821.db2.gz TZAPQJIUYPIVEB-UHFFFAOYSA-N 1 1 266.429 3.088 20 30 CGEDMO C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](CC)CCCC)C[C@H]2C1 ZINC001279339891 809170947 /nfs/dbraw/zinc/17/09/47/809170947.db2.gz QNNUDEJGWSBSQL-YESZJQIVSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](CC)CCC)C[C@H]2C1 ZINC001279402944 809172221 /nfs/dbraw/zinc/17/22/21/809172221.db2.gz GEVTZCALUAWINR-YESZJQIVSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C[C@H](CC)CC(=O)NCC1=CC[N@H+](C/C=C/Cl)CC1 ZINC001279622485 809175908 /nfs/dbraw/zinc/17/59/08/809175908.db2.gz ZSMJJWXKOYOWHF-LHRNQBEKSA-N 1 1 296.842 3.090 20 30 CGEDMO C=C[C@H](CC)CC(=O)NCC1=CC[N@@H+](C/C=C/Cl)CC1 ZINC001279622485 809175913 /nfs/dbraw/zinc/17/59/13/809175913.db2.gz ZSMJJWXKOYOWHF-LHRNQBEKSA-N 1 1 296.842 3.090 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)C[C@@H]2CC=CCC2)CC1 ZINC001279614365 809176235 /nfs/dbraw/zinc/17/62/35/809176235.db2.gz KFAXTTCQFMFNKH-MRXNPFEDSA-N 1 1 288.435 3.057 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](C[C@@H]2CCCC23CCOCC3)C1 ZINC001174889991 809192119 /nfs/dbraw/zinc/19/21/19/809192119.db2.gz CKPSSLOAQPJXGT-CVEARBPZSA-N 1 1 263.425 3.481 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)/C=C\C(C)(C)C)CC1 ZINC001280712373 809196640 /nfs/dbraw/zinc/19/66/40/809196640.db2.gz XRUDOUBKSJIBOX-LEJCZOIISA-N 1 1 298.858 3.312 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CCC[N@@H+](CC=C(C)C)CC1 ZINC001280747558 809197090 /nfs/dbraw/zinc/19/70/90/809197090.db2.gz RZTLJWKDBINMMQ-MRXNPFEDSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CC[N@H+](C)CCCN(C)C(=O)[C@H]1CCC(C)=C(C)C1 ZINC001280821752 809199934 /nfs/dbraw/zinc/19/99/34/809199934.db2.gz ITQYEIQRUDKKEN-INIZCTEOSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)C2(CC=C)CCC2)C(C)(C)C1 ZINC001281554128 809215128 /nfs/dbraw/zinc/21/51/28/809215128.db2.gz WPFFSEIWPIQGIV-HNNXBMFYSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)/C=C(\C)CC)C[C@@H]1C ZINC001281665523 809216238 /nfs/dbraw/zinc/21/62/38/809216238.db2.gz RVAXHYOZGIYNDJ-NNBBXFQRSA-N 1 1 284.831 3.064 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)/C=C(\C)CC)C[C@@H]1C ZINC001281665523 809216243 /nfs/dbraw/zinc/21/62/43/809216243.db2.gz RVAXHYOZGIYNDJ-NNBBXFQRSA-N 1 1 284.831 3.064 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@]1(C)CC=CCC1 ZINC001281939004 809225537 /nfs/dbraw/zinc/22/55/37/809225537.db2.gz ACPXCIUIJJMZML-WMZOPIPTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@H]1C[N@@H+](C)CC(=C)C ZINC001281957384 809226136 /nfs/dbraw/zinc/22/61/36/809226136.db2.gz RANLZHFEUVHHHC-DOTOQJQBSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCC(=O)NC[C@@H](C)[N@H+](C)Cc1cc(C)ccc1F ZINC001282363486 809243258 /nfs/dbraw/zinc/24/32/58/809243258.db2.gz BNTPWFDHWBLQDU-CQSZACIVSA-N 1 1 292.398 3.037 20 30 CGEDMO C=CCCC(=O)NC[C@@H](C)[N@@H+](C)Cc1cc(C)ccc1F ZINC001282363486 809243271 /nfs/dbraw/zinc/24/32/71/809243271.db2.gz BNTPWFDHWBLQDU-CQSZACIVSA-N 1 1 292.398 3.037 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)[C@H](C)c1cccc(C)c1 ZINC001282468924 809249994 /nfs/dbraw/zinc/24/99/94/809249994.db2.gz NTWNJEYEYGOHRU-HZPDHXFCSA-N 1 1 288.435 3.111 20 30 CGEDMO C#CCCCCCC(=O)NC[C@@H]1CCCCC[N@@H+]1CCC ZINC001282664634 809257926 /nfs/dbraw/zinc/25/79/26/809257926.db2.gz HUQGXSOUNSGKRR-KRWDZBQOSA-N 1 1 292.467 3.341 20 30 CGEDMO C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCCCCC ZINC001282677829 809259350 /nfs/dbraw/zinc/25/93/50/809259350.db2.gz IKBGMIFFTCWJGB-QGZVFWFLSA-N 1 1 292.467 3.341 20 30 CGEDMO C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCCC(C)C ZINC001282674732 809259906 /nfs/dbraw/zinc/25/99/06/809259906.db2.gz GOJIJNAANVENMG-QGZVFWFLSA-N 1 1 292.467 3.197 20 30 CGEDMO CC#CC[N@@H+]1C[C@H](NC(=O)C(CC)(CC)CC)C(C)(C)C1 ZINC001282831415 809265361 /nfs/dbraw/zinc/26/53/61/809265361.db2.gz FCQGJYNYCMXGFD-HNNXBMFYSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CC[N@H+](C)C1CCN(C(=O)/C=C\C(C)(C)C)CC1 ZINC001283297348 809274982 /nfs/dbraw/zinc/27/49/82/809274982.db2.gz XYLDMSCMAYPYIL-XFFZJAGNSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC([N@@H+](C)CC=C(C)C)CC1 ZINC001283309890 809275877 /nfs/dbraw/zinc/27/58/77/809275877.db2.gz ARRZRXMVGLPCCQ-UHFFFAOYSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)CC[N@H+](C)C1CCN(C(=O)/C=C/C(C)(C)C)CC1 ZINC001283297349 809276066 /nfs/dbraw/zinc/27/60/66/809276066.db2.gz XYLDMSCMAYPYIL-YRNVUSSQSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)C2(CCCC)CC2)CC1 ZINC001283325398 809276710 /nfs/dbraw/zinc/27/67/10/809276710.db2.gz LVPXWPITOJHCCW-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)/C=C\C(C)(C)C)CCC[C@H]12 ZINC001284046644 809293829 /nfs/dbraw/zinc/29/38/29/809293829.db2.gz UURXIMLRKNFTGL-UBOIJJRDSA-N 1 1 290.451 3.278 20 30 CGEDMO C#CC[N@H+](C)CCN(C(=O)[C@H]1CCCCC1(C)C)C(C)C ZINC001284561647 809309646 /nfs/dbraw/zinc/30/96/46/809309646.db2.gz CXTWVJBFIPVQKV-MRXNPFEDSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)C1CCC=CCC1)C(C)C ZINC001284557808 809310214 /nfs/dbraw/zinc/31/02/14/809310214.db2.gz HGASGRSWHVBKQU-UHFFFAOYSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)[C@@](C)(F)CCCC)CC1 ZINC001284930078 809320443 /nfs/dbraw/zinc/32/04/43/809320443.db2.gz PBDDOTBFAVRFCC-KRWDZBQOSA-N 1 1 296.430 3.229 20 30 CGEDMO Cc1[nH+]c2c(Nc3ccc(N)c(C#N)c3)cccn2c1C ZINC001213433408 815280659 /nfs/dbraw/zinc/28/06/59/815280659.db2.gz CDFZWKPLFNYUDQ-UHFFFAOYSA-N 1 1 277.331 3.149 20 30 CGEDMO C#Cc1cccnc1NC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001175505131 809433336 /nfs/dbraw/zinc/43/33/36/809433336.db2.gz LWNFCXQTHNEALQ-UHFFFAOYSA-N 1 1 289.382 3.265 20 30 CGEDMO C[N@@H+]1CCc2c(C#N)c(N=C3CCCCC3)sc2C1 ZINC001175753406 809531461 /nfs/dbraw/zinc/53/14/61/809531461.db2.gz XIJBKWBWJUCKEA-UHFFFAOYSA-N 1 1 273.405 3.477 20 30 CGEDMO C[N@H+]1CCc2c(C#N)c(N=C3CCCCC3)sc2C1 ZINC001175753406 809531466 /nfs/dbraw/zinc/53/14/66/809531466.db2.gz XIJBKWBWJUCKEA-UHFFFAOYSA-N 1 1 273.405 3.477 20 30 CGEDMO N#Cc1ccccc1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001175857560 809560081 /nfs/dbraw/zinc/56/00/81/809560081.db2.gz ILMXQJPXZRBJEJ-UHFFFAOYSA-N 1 1 293.370 3.134 20 30 CGEDMO COCC1([N@@H+](C)CC#Cc2ccc(Cl)cc2)CCC1 ZINC001175965689 809584252 /nfs/dbraw/zinc/58/42/52/809584252.db2.gz OWIUCHOPOWBMAB-UHFFFAOYSA-N 1 1 277.795 3.192 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)[C@H]1CCCC[N@@H+]1CCC ZINC001302189486 809591457 /nfs/dbraw/zinc/59/14/57/809591457.db2.gz JVNGMCLOWOJNSG-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CC[N@H+](C[C@@H](C)COCc1ccccc1)C(C)C ZINC001176373012 809681045 /nfs/dbraw/zinc/68/10/45/809681045.db2.gz LWCFEZZOAOKNJG-MRXNPFEDSA-N 1 1 259.393 3.183 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@H](C(=O)OCC)C1 ZINC001176650930 809735836 /nfs/dbraw/zinc/73/58/36/809735836.db2.gz XBIGICURVFUEIU-AWEZNQCLSA-N 1 1 255.402 3.232 20 30 CGEDMO C#Cc1ccc(C[NH2+]Cc2nccn2-c2ccccc2)cc1 ZINC001178759057 809885717 /nfs/dbraw/zinc/88/57/17/809885717.db2.gz SEUNYJGBERDTBD-UHFFFAOYSA-N 1 1 287.366 3.143 20 30 CGEDMO C[C@@H](CC#N)[NH2+]Cc1cc2ccnc(Cl)c2s1 ZINC001179479624 809923952 /nfs/dbraw/zinc/92/39/52/809923952.db2.gz PEEOBPSXQMXKJX-QMMMGPOBSA-N 1 1 265.769 3.341 20 30 CGEDMO C=CCN1CC[C@H]([N@H+](C)CC2CCC(C(C)C)CC2)C1=O ZINC001181244125 810043386 /nfs/dbraw/zinc/04/33/86/810043386.db2.gz NAHLEDFNELYQQN-JCYILVPMSA-N 1 1 292.467 3.168 20 30 CGEDMO C#C[C@H]([NH2+]Cc1cncc(Cl)c1Cl)C(C)C ZINC001181574563 810060089 /nfs/dbraw/zinc/06/00/89/810060089.db2.gz AGYNDSSPBYGGGI-NSHDSACASA-N 1 1 257.164 3.136 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CC2CCC(OC)CC2)C1 ZINC001182795584 810125321 /nfs/dbraw/zinc/12/53/21/810125321.db2.gz GPSGTQFVVZLDSH-QQFBHYJXSA-N 1 1 251.414 3.480 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2c(C)cc(OC)nc2C)C1 ZINC001182796302 810125325 /nfs/dbraw/zinc/12/53/25/810125325.db2.gz UDTWWAAQTRXTDB-OAHLLOKOSA-N 1 1 274.408 3.495 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cccn2C(F)F)C1 ZINC001182855229 810127253 /nfs/dbraw/zinc/12/72/53/810127253.db2.gz OIONSROTEIWASP-LLVKDONJSA-N 1 1 253.296 3.009 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2cccn2C(F)F)C1 ZINC001182855229 810127256 /nfs/dbraw/zinc/12/72/56/810127256.db2.gz OIONSROTEIWASP-LLVKDONJSA-N 1 1 253.296 3.009 20 30 CGEDMO C=C(C)C[C@H]([NH2+]C[C@H]1C(C)=CCC[C@H]1C)C(=O)OCC ZINC001183551356 810151931 /nfs/dbraw/zinc/15/19/31/810151931.db2.gz PWDYQVZDPVZPQF-PMPSAXMXSA-N 1 1 279.424 3.466 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C(CC)CC)[C@@H]2C1 ZINC001186893481 810372441 /nfs/dbraw/zinc/37/24/41/810372441.db2.gz TYBCEIFEDGTECI-HYVNUMGLSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)CCCC)[C@@H]2C1 ZINC001187779754 810423483 /nfs/dbraw/zinc/42/34/83/810423483.db2.gz NIJQKFAATMIQJO-YESZJQIVSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]2C[N@H+](CCCC(C)C)C[C@H]21 ZINC001188080303 810451041 /nfs/dbraw/zinc/45/10/41/810451041.db2.gz AYHOCOYIOIECCQ-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)CC2CC2)C1 ZINC001188608587 810493414 /nfs/dbraw/zinc/49/34/14/810493414.db2.gz AZRNPVYXMCTKOT-INIZCTEOSA-N 1 1 280.456 3.290 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)C/C=C(/C)C=C)[C@@H]2C1 ZINC001188855679 810519675 /nfs/dbraw/zinc/51/96/75/810519675.db2.gz HCPVLRMSYSDAQV-IFORROHYSA-N 1 1 288.435 3.008 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001189319076 810559145 /nfs/dbraw/zinc/55/91/45/810559145.db2.gz UARDNVDTSWLZEE-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CCC2CC2)C1 ZINC001189450171 810570281 /nfs/dbraw/zinc/57/02/81/810570281.db2.gz ORODUYWDEJUEJQ-HOCLYGCPSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)CC2(C)CCCC2)C1 ZINC001189961598 810599201 /nfs/dbraw/zinc/59/92/01/810599201.db2.gz ABNUZPGOYSDGED-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[C@@H]([N@@H+](C)CCC2CC2)C1 ZINC001190354736 810622050 /nfs/dbraw/zinc/62/20/50/810622050.db2.gz OVVJUXUGMHGCAH-QGZVFWFLSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)CCCC)C1 ZINC001190354668 810622310 /nfs/dbraw/zinc/62/23/10/810622310.db2.gz NJUQCXSHJWUQTK-CYBMUJFWSA-N 1 1 286.847 3.098 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CCC(=C)C)C1 ZINC001190428462 810628439 /nfs/dbraw/zinc/62/84/39/810628439.db2.gz JBEPEBQUALBUTJ-HZPDHXFCSA-N 1 1 278.440 3.230 20 30 CGEDMO C#CC[N@H+](C[C@H](OC)C1CCC1)[C@@H]1CCc2ccccc21 ZINC001190529581 810633111 /nfs/dbraw/zinc/63/31/11/810633111.db2.gz UCYYSEOMXKJSDX-MOPGFXCFSA-N 1 1 283.415 3.424 20 30 CGEDMO CCCCCCCCNC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC001191064219 810670156 /nfs/dbraw/zinc/67/01/56/810670156.db2.gz RZZRPOHCLFEHNV-UHFFFAOYSA-N 1 1 283.460 3.083 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC001191321187 810700030 /nfs/dbraw/zinc/70/00/30/810700030.db2.gz XEVMXJQMDCUCIU-YESZJQIVSA-N 1 1 295.467 3.373 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CC[C@H]([N@H+](C)CC/C=C\CC)C1 ZINC001191867547 810752299 /nfs/dbraw/zinc/75/22/99/810752299.db2.gz DVIHDDMXYDNPRI-IIAQQRLMSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[C@@H]([N@H+](C)CC/C=C\CC)C1 ZINC001191891021 810754352 /nfs/dbraw/zinc/75/43/52/810754352.db2.gz WBQYOKGEMVNZGQ-MGSINWNPSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCCCC(=O)N1CC[C@@H]([N@H+](C)CCCCCC)C1 ZINC001192094510 810768559 /nfs/dbraw/zinc/76/85/59/810768559.db2.gz SXGNMYGLJXNPKQ-MRXNPFEDSA-N 1 1 280.456 3.456 20 30 CGEDMO C=C1CCC(C(=O)N2CC[C@@H]([N@H+](C)C[C@H](F)CC)C2)CC1 ZINC001192180444 810774263 /nfs/dbraw/zinc/77/42/63/810774263.db2.gz IOFVHMTZSNYYFM-HZPDHXFCSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@H]([N@@H+](C)CC3CCC3)C2)CCC1 ZINC001192227503 810778256 /nfs/dbraw/zinc/77/82/56/810778256.db2.gz QPZAAQDBTKUNHL-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C[C@@H](COCc1ccccc1)C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC001192461887 810799415 /nfs/dbraw/zinc/79/94/15/810799415.db2.gz ZZKKEFFALAWGEJ-AEFFLSMTSA-N 1 1 286.419 3.465 20 30 CGEDMO C=Cc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)CCC(=C)C)C2)cc1 ZINC001192464328 810801118 /nfs/dbraw/zinc/80/11/18/810801118.db2.gz JGSRBLBTYBLXBF-GOSISDBHSA-N 1 1 298.430 3.442 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](C[C@H]2CC3(CO2)CCCCC3)C1 ZINC001192499780 810803789 /nfs/dbraw/zinc/80/37/89/810803789.db2.gz FPHXOXBMZXFIKC-HZPDHXFCSA-N 1 1 279.424 3.003 20 30 CGEDMO C#CCC[N@H+](C)[C@H]1CCN(C(=O)C[C@H](C)CCCCC)C1 ZINC001192688666 810816747 /nfs/dbraw/zinc/81/67/47/810816747.db2.gz XOOBGJPSLREXNB-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(CC)C[N@H+]1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001192824667 810823831 /nfs/dbraw/zinc/82/38/31/810823831.db2.gz SMAJFPYPAJEUBY-KBPBESRZSA-N 1 1 282.428 3.282 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)c2csc(C)c2)C1 ZINC001192848869 810825225 /nfs/dbraw/zinc/82/52/25/810825225.db2.gz YALMMKSPDBFFRU-OAHLLOKOSA-N 1 1 292.448 3.169 20 30 CGEDMO CCCCCCC[C@H](C)NC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC001192932116 810831428 /nfs/dbraw/zinc/83/14/28/810831428.db2.gz ZRPQIWDFNZHSQS-HRCADAONSA-N 1 1 295.471 3.081 20 30 CGEDMO CCCCCCC[C@H](C)NC(=O)NC[C@H]1CCC[N@H+]1C ZINC001192943789 810832900 /nfs/dbraw/zinc/83/29/00/810832900.db2.gz FWDVVFBVECGIST-LSDHHAIUSA-N 1 1 283.460 3.129 20 30 CGEDMO CCCCCCCC[NH2+][C@@](C)(C(=O)OC)C1CC1 ZINC001193034277 810846304 /nfs/dbraw/zinc/84/63/04/810846304.db2.gz UZPASDOZEKMRFE-OAHLLOKOSA-N 1 1 255.402 3.278 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)CCC)C1 ZINC001193113267 810858508 /nfs/dbraw/zinc/85/85/08/810858508.db2.gz ZWLIUKWVFGQKNY-ZIAGYGMSSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)CCC)C1 ZINC001193113267 810858513 /nfs/dbraw/zinc/85/85/13/810858513.db2.gz ZWLIUKWVFGQKNY-ZIAGYGMSSA-N 1 1 286.847 3.098 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCCCC[C@@H]2C)cc1 ZINC001193575000 810910588 /nfs/dbraw/zinc/91/05/88/810910588.db2.gz KULXAGVKNWJZFN-HNNXBMFYSA-N 1 1 284.403 3.261 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)C[C@@H]1CCCC[C@@H]1C ZINC001193913501 810978738 /nfs/dbraw/zinc/97/87/38/810978738.db2.gz KBDWVJVBJRNQET-HOTGVXAUSA-N 1 1 252.446 3.252 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)C[C@H](OC)C1CCCCC1 ZINC001193913572 810978765 /nfs/dbraw/zinc/97/87/65/810978765.db2.gz MBLXSXYYJSPCQY-KRWDZBQOSA-N 1 1 282.472 3.021 20 30 CGEDMO CCCCCCCOC(=O)N[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC001194020457 811003131 /nfs/dbraw/zinc/00/31/31/811003131.db2.gz YXPQUXPHGVPEPR-KBPBESRZSA-N 1 1 270.417 3.023 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(C3CC3)cc2)C1 ZINC001194174007 811026401 /nfs/dbraw/zinc/02/64/01/811026401.db2.gz JUURPRGILNCPNO-SFHVURJKSA-N 1 1 298.430 3.286 20 30 CGEDMO CC#CC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)CCCCC)C1 ZINC001194183006 811028784 /nfs/dbraw/zinc/02/87/84/811028784.db2.gz IZXCLORQPHREHV-MRXNPFEDSA-N 1 1 292.467 3.149 20 30 CGEDMO C#CCC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)CC(C)(C)C)C1 ZINC001194190437 811032271 /nfs/dbraw/zinc/03/22/71/811032271.db2.gz DTDJCTBUMBORDH-HNNXBMFYSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)CCC)C2)CCCCC1 ZINC001194201727 811034217 /nfs/dbraw/zinc/03/42/17/811034217.db2.gz WLWNQRDEELOURB-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO N#Cc1ccnc(C[N@H+]2CCC=C(c3ccccc3)C2)c1 ZINC001194222865 811037936 /nfs/dbraw/zinc/03/79/36/811037936.db2.gz ZELXPVWLXQTGRA-UHFFFAOYSA-N 1 1 275.355 3.243 20 30 CGEDMO C[N@H+](CCc1ccc2c(c1)OC(F)(F)O2)CC(C)(C)C#N ZINC001194599011 811093265 /nfs/dbraw/zinc/09/32/65/811093265.db2.gz ISSUPZOEZZCDAL-UHFFFAOYSA-N 1 1 296.317 3.032 20 30 CGEDMO C[N@@H+](CCc1ccc2c(c1)OC(F)(F)O2)CC(C)(C)C#N ZINC001194599011 811093270 /nfs/dbraw/zinc/09/32/70/811093270.db2.gz ISSUPZOEZZCDAL-UHFFFAOYSA-N 1 1 296.317 3.032 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C2CCCCC2)CC1 ZINC001194674416 811104618 /nfs/dbraw/zinc/10/46/18/811104618.db2.gz WQUZTAWFPIETOL-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO CCCCCCCCOC(=O)N[C@@H]1CC[N@@H+](CC)C1 ZINC001194753998 811125597 /nfs/dbraw/zinc/12/55/97/811125597.db2.gz ZCIRZLHLLXEESA-CQSZACIVSA-N 1 1 270.417 3.167 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)CC(C)(C)C)CC1 ZINC001194863781 811157561 /nfs/dbraw/zinc/15/75/61/811157561.db2.gz PVTSIDIBWZMGHI-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C[C@H](C)SC)CC1 ZINC001195540770 811264459 /nfs/dbraw/zinc/26/44/59/811264459.db2.gz HDIGXOCFCGIOCL-CABCVRRESA-N 1 1 298.496 3.017 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C[C@@H](C)SC)CC1 ZINC001195540774 811266767 /nfs/dbraw/zinc/26/67/67/811266767.db2.gz HDIGXOCFCGIOCL-HUUCEWRRSA-N 1 1 298.496 3.017 20 30 CGEDMO C=CCCCC[N@@H+](C1CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001195659672 811276393 /nfs/dbraw/zinc/27/63/93/811276393.db2.gz PKAWDCGHTKBJKT-UHFFFAOYSA-N 1 1 294.439 3.426 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC001196018455 811310586 /nfs/dbraw/zinc/31/05/86/811310586.db2.gz UZOBLISYVLNVDG-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CCCCC3)C1 ZINC001196038552 811314537 /nfs/dbraw/zinc/31/45/37/811314537.db2.gz BWPLFHUACZSXOJ-CVEARBPZSA-N 1 1 276.424 3.351 20 30 CGEDMO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@H+](CCCC(C)C)CC1 ZINC001196853136 811376164 /nfs/dbraw/zinc/37/61/64/811376164.db2.gz HLWMDABZIAWRHO-IRXDYDNUSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CCC[N@H+](C[C@@H](C)CC)CC1 ZINC001196881137 811378526 /nfs/dbraw/zinc/37/85/26/811378526.db2.gz QBGVCQITEUIBCV-HOTGVXAUSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1CCC[N@H+](CCC(C)C)CC1 ZINC001196900681 811379687 /nfs/dbraw/zinc/37/96/87/811379687.db2.gz GXHCMWYSZPRFME-MRXNPFEDSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@H]2CCCC[C@H]2C)CC1 ZINC001196942744 811385516 /nfs/dbraw/zinc/38/55/16/811385516.db2.gz ILCQARMVSSLYGU-SJORKVTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)C(CCC)CCC)CC1 ZINC001196952760 811386357 /nfs/dbraw/zinc/38/63/57/811386357.db2.gz AVTHXNSNMXJSTG-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@@H]2CC)CC1 ZINC001197062288 811393324 /nfs/dbraw/zinc/39/33/24/811393324.db2.gz OOTGYCOCRDJGKY-IRXDYDNUSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C2(C(C)C)CC2)CC1 ZINC001197084722 811397321 /nfs/dbraw/zinc/39/73/21/811397321.db2.gz XMJLSXJOILTOTM-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCCC[N@H+]1CCCN(C(=O)[C@H]2CC23CC3)CC1 ZINC001197255924 811408116 /nfs/dbraw/zinc/40/81/16/811408116.db2.gz ZUYNNKVBFJBNBR-MRXNPFEDSA-N 1 1 290.451 3.067 20 30 CGEDMO CC#CC[N@H+]1CCCN(C(=O)[C@@H](C)CCCCCC)CC1 ZINC001197511109 811426794 /nfs/dbraw/zinc/42/67/94/811426794.db2.gz HXKPLXPOURVJEG-KRWDZBQOSA-N 1 1 292.467 3.151 20 30 CGEDMO CC#CC[N@@H+]1CCCN(C(=O)[C@@H](C)CCCCCC)CC1 ZINC001197511109 811426798 /nfs/dbraw/zinc/42/67/98/811426798.db2.gz HXKPLXPOURVJEG-KRWDZBQOSA-N 1 1 292.467 3.151 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H](C)CC(C)C)CC1 ZINC001197605643 811433799 /nfs/dbraw/zinc/43/37/99/811433799.db2.gz AXPVNXDBKLSXPN-MRXNPFEDSA-N 1 1 280.456 3.169 20 30 CGEDMO C[C@@H]1CN(Cc2ccc(C#N)s2)CC[N@H+]1C1CCCC1 ZINC001197796432 811454125 /nfs/dbraw/zinc/45/41/25/811454125.db2.gz DNOHSVNBWKRNSL-CYBMUJFWSA-N 1 1 289.448 3.068 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC001198489581 811508908 /nfs/dbraw/zinc/50/89/08/811508908.db2.gz CDIZPEPBVAGGBU-HUUCEWRRSA-N 1 1 290.794 3.483 20 30 CGEDMO N#Cc1cnccc1C[N@H+]1CCC[C@@H](C2CCCC2)C1 ZINC001198704995 811537601 /nfs/dbraw/zinc/53/76/01/811537601.db2.gz FXXWTMQCIWUQRU-OAHLLOKOSA-N 1 1 269.392 3.355 20 30 CGEDMO COc1ccc(Nc2ccc3[nH+]c(C)cn3c2)cc1C#N ZINC001214996994 815473812 /nfs/dbraw/zinc/47/38/12/815473812.db2.gz MPLLBWYSXBJPDH-UHFFFAOYSA-N 1 1 278.315 3.267 20 30 CGEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](C[C@H](C)CC)CCO2 ZINC001201510150 811874282 /nfs/dbraw/zinc/87/42/82/811874282.db2.gz YJXGPIDYVZBLJV-IXDOHACOSA-N 1 1 281.440 3.106 20 30 CGEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](CC(CC)CC)C2 ZINC001201527704 811883967 /nfs/dbraw/zinc/88/39/67/811883967.db2.gz BQHWWBJYZBIBGO-DLBZAZTESA-N 1 1 281.440 3.249 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@H+](CCc1ccccc1)CC2 ZINC001201595111 811916590 /nfs/dbraw/zinc/91/65/90/811916590.db2.gz LEIYQXKUWDDTMH-UHFFFAOYSA-N 1 1 262.356 3.159 20 30 CGEDMO CCCCCCCCCCC[N@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC001201631507 811925635 /nfs/dbraw/zinc/92/56/35/811925635.db2.gz USZTXLKYXWUUBI-DLBZAZTESA-N 1 1 285.472 3.192 20 30 CGEDMO CSCCC[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001201697618 811939608 /nfs/dbraw/zinc/93/96/08/811939608.db2.gz KITRBFNWFLUDOK-INIZCTEOSA-N 1 1 290.432 3.155 20 30 CGEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](CCCCC)C2 ZINC001201730484 811949616 /nfs/dbraw/zinc/94/96/16/811949616.db2.gz JIIWSYFSONBQSE-IAGOWNOFSA-N 1 1 281.440 3.250 20 30 CGEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](CCCCC)C2 ZINC001201734497 811951505 /nfs/dbraw/zinc/95/15/05/811951505.db2.gz CPEDZNHERPQWDX-HOTGVXAUSA-N 1 1 267.413 3.003 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@H+](CCCCCCC)C2)C1=O ZINC001201762668 811962931 /nfs/dbraw/zinc/96/29/31/811962931.db2.gz QQWWIXGPBCBCCC-SFHVURJKSA-N 1 1 292.467 3.457 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H]2CC[C@H](C1)C2C(=O)OC ZINC001201787437 811964971 /nfs/dbraw/zinc/96/49/71/811964971.db2.gz BPTKQGKVHUXRIH-YIONKMFJSA-N 1 1 267.413 3.088 20 30 CGEDMO CCCCCCCC[N@H+]1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001201804144 811966740 /nfs/dbraw/zinc/96/67/40/811966740.db2.gz CXOLOJBOAKCEIO-OLZOCXBDSA-N 1 1 261.356 3.313 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C ZINC001201813581 811968394 /nfs/dbraw/zinc/96/83/94/811968394.db2.gz GPMGCSURORXWLR-HUUCEWRRSA-N 1 1 266.429 3.042 20 30 CGEDMO CCCCCCCC[N@H+]1CCc2ncnc(OC)c2CC1 ZINC001201813734 811968522 /nfs/dbraw/zinc/96/85/22/811968522.db2.gz IPIJANFSFKRAMI-UHFFFAOYSA-N 1 1 291.439 3.246 20 30 CGEDMO CCCCCCCC[NH+]1C[C@H]2CN(CC)C[C@@H]2C1 ZINC001201839454 811970336 /nfs/dbraw/zinc/97/03/36/811970336.db2.gz DPCNCDUTVNODQY-HZPDHXFCSA-N 1 1 252.446 3.230 20 30 CGEDMO CCCCCCCCC[N@H+]1CCCO[C@H](C(=O)OC)C1 ZINC001201852837 811972560 /nfs/dbraw/zinc/97/25/60/811972560.db2.gz OFYRRMGAZWGPIX-HNNXBMFYSA-N 1 1 285.428 3.001 20 30 CGEDMO CCCCCCCCCC[N@H+]1CCO[C@H](COC)C1 ZINC001201874865 811974219 /nfs/dbraw/zinc/97/42/19/811974219.db2.gz JRUOKHUWJLMZFF-INIZCTEOSA-N 1 1 271.445 3.474 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cc(OC)ccc1OC ZINC001203531738 812384835 /nfs/dbraw/zinc/38/48/35/812384835.db2.gz KMLUKHFBLLREMA-UHFFFAOYSA-N 1 1 263.381 3.492 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)CCC1(F)F ZINC001203756937 812454338 /nfs/dbraw/zinc/45/43/38/812454338.db2.gz FPNGDIJPYSYVRI-LBPRGKRZSA-N 1 1 264.319 3.425 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](C(F)F)C2)cc1 ZINC001203905655 812487617 /nfs/dbraw/zinc/48/76/17/812487617.db2.gz YXDHLXGBDKUWMX-CYBMUJFWSA-N 1 1 250.292 3.035 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2c[nH]c3ccccc23)CC1 ZINC001204042005 812529656 /nfs/dbraw/zinc/52/96/56/812529656.db2.gz HBUBCRMQVRSXGX-CYBMUJFWSA-N 1 1 253.349 3.294 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@](C)(O)[C@H](C)C2)cc1 ZINC001204298112 812604883 /nfs/dbraw/zinc/60/48/83/812604883.db2.gz VWAWBEDLTCSIHL-QAPCUYQASA-N 1 1 289.419 3.234 20 30 CGEDMO CCc1ccc(C[N@@H+]2CCc3cc(C#N)ccc3C2)o1 ZINC001204389197 812626539 /nfs/dbraw/zinc/62/65/39/812626539.db2.gz LQHRNKYLNKBFOJ-UHFFFAOYSA-N 1 1 266.344 3.272 20 30 CGEDMO CCc1ccc(C[N@H+]2CCc3cc(C#N)ccc3C2)o1 ZINC001204389197 812626542 /nfs/dbraw/zinc/62/65/42/812626542.db2.gz LQHRNKYLNKBFOJ-UHFFFAOYSA-N 1 1 266.344 3.272 20 30 CGEDMO CC(=O)n1cc(C[NH+]2CCC(C#N)CC2)c2ccccc21 ZINC001204407372 812630558 /nfs/dbraw/zinc/63/05/58/812630558.db2.gz OGTFQVGGJQWFJV-UHFFFAOYSA-N 1 1 281.359 3.037 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@](C)(OC)C1CC1 ZINC001204496391 812656033 /nfs/dbraw/zinc/65/60/33/812656033.db2.gz GHYSANYODNZYGX-KRWDZBQOSA-N 1 1 275.367 3.076 20 30 CGEDMO C=C(C)[C@@H]1CC=C(CN2CCC[C@@H](C[NH2+]C)C2)CC1 ZINC001205001404 812819849 /nfs/dbraw/zinc/81/98/49/812819849.db2.gz RMGAVGLXECZRIH-DLBZAZTESA-N 1 1 262.441 3.220 20 30 CGEDMO C=CC[N@@H+](C)Cc1cccc(F)c1OC(F)(F)F ZINC001205472169 812988515 /nfs/dbraw/zinc/98/85/15/812988515.db2.gz WTTNYLDWUFWZHB-UHFFFAOYSA-N 1 1 263.234 3.342 20 30 CGEDMO C=CC[N@H+](C)Cc1cccc(F)c1OC(F)(F)F ZINC001205472169 812988521 /nfs/dbraw/zinc/98/85/21/812988521.db2.gz WTTNYLDWUFWZHB-UHFFFAOYSA-N 1 1 263.234 3.342 20 30 CGEDMO N#CCCCO[C@@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC001205647914 813040380 /nfs/dbraw/zinc/04/03/80/813040380.db2.gz HTZHQSPPAMPQPF-CQSZACIVSA-N 1 1 278.783 3.235 20 30 CGEDMO N#CCCCO[C@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC001205647913 813040675 /nfs/dbraw/zinc/04/06/75/813040675.db2.gz HTZHQSPPAMPQPF-AWEZNQCLSA-N 1 1 278.783 3.235 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)F)C1 ZINC001205723362 813059060 /nfs/dbraw/zinc/05/90/60/813059060.db2.gz NAQKXDGUNURNKW-ZIAGYGMSSA-N 1 1 286.435 3.141 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2C)C1 ZINC001205785669 813077060 /nfs/dbraw/zinc/07/70/60/813077060.db2.gz ZFFKYCZZYAHZDH-NVXWUHKLSA-N 1 1 286.419 3.011 20 30 CGEDMO C=CCOc1ccccc1CN1CCCC[C@](C)(C[NH3+])C1 ZINC001206550269 813348626 /nfs/dbraw/zinc/34/86/26/813348626.db2.gz YXZHQIFGZOVMJS-GOSISDBHSA-N 1 1 288.435 3.202 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cc(-c3ccc(F)cc3)on2)C1 ZINC001206837194 813449153 /nfs/dbraw/zinc/44/91/53/813449153.db2.gz XVHWGMVMPOLCIG-ZDUSSCGKSA-N 1 1 284.334 3.326 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(-c3ccc(F)cc3)on2)C1 ZINC001206837194 813449156 /nfs/dbraw/zinc/44/91/56/813449156.db2.gz XVHWGMVMPOLCIG-ZDUSSCGKSA-N 1 1 284.334 3.326 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CCCC)C1 ZINC001206926690 813459434 /nfs/dbraw/zinc/45/94/34/813459434.db2.gz AHYUIBFROHNGHA-ARFHVFGLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[C@H](C)CCC)C1 ZINC001207127170 813493103 /nfs/dbraw/zinc/49/31/03/813493103.db2.gz PYPSGFMJKXOSDS-BZUAXINKSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C(C)C)C1 ZINC001207131727 813494551 /nfs/dbraw/zinc/49/45/51/813494551.db2.gz IMPRGNYFFWLCQT-HUUCEWRRSA-N 1 1 280.456 3.071 20 30 CGEDMO COc1ccc(CC[N@@H+](CCC#N)C2CCCC2)cc1 ZINC001207476564 813570543 /nfs/dbraw/zinc/57/05/43/813570543.db2.gz YAZHDFDGMBWIBJ-UHFFFAOYSA-N 1 1 272.392 3.396 20 30 CGEDMO C#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)cc1 ZINC001207610325 813613729 /nfs/dbraw/zinc/61/37/29/813613729.db2.gz AJUSXXLLKSJPOK-PMACEKPBSA-N 1 1 288.394 3.131 20 30 CGEDMO C#CC[N@H+](C)Cc1c(-c2ccccc2)nc2sccn12 ZINC001207711639 813638869 /nfs/dbraw/zinc/63/88/69/813638869.db2.gz KYGUPHYRJDIQTP-UHFFFAOYSA-N 1 1 281.384 3.128 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@](C)(F)CCCC)C1 ZINC001207779754 813650131 /nfs/dbraw/zinc/65/01/31/813650131.db2.gz QOJSFRMTGFPSIS-INMHGKMJSA-N 1 1 298.446 3.308 20 30 CGEDMO C[N@@H+](CCC#N)CCCc1cccc(C(F)(F)F)c1 ZINC001207841541 813660105 /nfs/dbraw/zinc/66/01/05/813660105.db2.gz WRUAREIHYPAKCK-UHFFFAOYSA-N 1 1 270.298 3.483 20 30 CGEDMO C[N@H+](CCC#N)CCCc1cccc(C(F)(F)F)c1 ZINC001207841541 813660109 /nfs/dbraw/zinc/66/01/09/813660109.db2.gz WRUAREIHYPAKCK-UHFFFAOYSA-N 1 1 270.298 3.483 20 30 CGEDMO C=CCCCCCCCCC[N@@H+]1CCOC[C@@](C)(O)C1 ZINC001207899191 813667923 /nfs/dbraw/zinc/66/79/23/813667923.db2.gz PMCYRVXDBWAVIZ-KRWDZBQOSA-N 1 1 283.456 3.376 20 30 CGEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](CC)CCCC)C1 ZINC001208032949 813685848 /nfs/dbraw/zinc/68/58/48/813685848.db2.gz BVXHVPXTXGCAFJ-IXDOHACOSA-N 1 1 292.467 3.053 20 30 CGEDMO CCCCCCC/C=C/C[NH+]1CCN(CCC#N)CC1 ZINC001208118850 813698211 /nfs/dbraw/zinc/69/82/11/813698211.db2.gz PWMDBODGAYFQDL-CMDGGOBGSA-N 1 1 277.456 3.434 20 30 CGEDMO CS[C@H](C)CC[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001208139152 813704065 /nfs/dbraw/zinc/70/40/65/813704065.db2.gz PKEKGUTXTFQRNN-GFCCVEGCSA-N 1 1 260.406 3.058 20 30 CGEDMO CC/C=C\CCC[NH+]1CC(Oc2ccccc2C#N)C1 ZINC001208140432 813706522 /nfs/dbraw/zinc/70/65/22/813706522.db2.gz RKGPHOPDCXTEFV-ARJAWSKDSA-N 1 1 270.376 3.368 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCC(=O)[C@@H](F)CC2)CC1 ZINC001208170130 813723834 /nfs/dbraw/zinc/72/38/34/813723834.db2.gz DAMJWLLRIJNNIF-CABCVRRESA-N 1 1 265.372 3.292 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC(=O)[C@@H](F)CC2)CC1 ZINC001208170130 813723839 /nfs/dbraw/zinc/72/38/39/813723839.db2.gz DAMJWLLRIJNNIF-CABCVRRESA-N 1 1 265.372 3.292 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H](C(=O)OC)C3(CC3)C2)CC1 ZINC001208179180 813730196 /nfs/dbraw/zinc/73/01/96/813730196.db2.gz QCHBWWXMCXLADP-CVEARBPZSA-N 1 1 289.419 3.174 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[NH+]2CCC(N3CCC3)CC2)CC1 ZINC001208179147 813730795 /nfs/dbraw/zinc/73/07/95/813730795.db2.gz NOYMXEQEYCRCJF-QGZVFWFLSA-N 1 1 274.452 3.459 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCCCCF)C[C@H]1C ZINC001208389085 813758054 /nfs/dbraw/zinc/75/80/54/813758054.db2.gz XXKFLGXUGXHYNX-ARFHVFGLSA-N 1 1 298.446 3.165 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](CC/C=C\CC)C[C@H]1C ZINC001208392859 813759766 /nfs/dbraw/zinc/75/97/66/813759766.db2.gz DFVOZUCRUOSRMU-APBGNUCKSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C ZINC001208391142 813759875 /nfs/dbraw/zinc/75/98/75/813759875.db2.gz JYSUYDAMNVBCJC-ARFHVFGLSA-N 1 1 280.456 3.071 20 30 CGEDMO N#C[C@@H]1CCCN1C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001208583149 813770037 /nfs/dbraw/zinc/77/00/37/813770037.db2.gz XEDVSVFRASXOBX-ZWKOTPCHSA-N 1 1 283.419 3.029 20 30 CGEDMO C=CCN(Cc1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC001208618073 813777227 /nfs/dbraw/zinc/77/72/27/813777227.db2.gz ROPIMAURUAMFHI-KRWDZBQOSA-N 1 1 258.409 3.016 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)C[C@H]1CCCN(C)C1 ZINC001208618073 813777260 /nfs/dbraw/zinc/77/72/60/813777260.db2.gz ROPIMAURUAMFHI-KRWDZBQOSA-N 1 1 258.409 3.016 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)C[C@H]1CCCN(C)C1 ZINC001208618073 813777267 /nfs/dbraw/zinc/77/72/67/813777267.db2.gz ROPIMAURUAMFHI-KRWDZBQOSA-N 1 1 258.409 3.016 20 30 CGEDMO N#Cc1cccc(O[C@H]2CCC[N@@H+](CCC3CC3)C2)c1 ZINC001208688712 813796204 /nfs/dbraw/zinc/79/62/04/813796204.db2.gz SXIHMUBWFPMYPQ-KRWDZBQOSA-N 1 1 270.376 3.202 20 30 CGEDMO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](CCCC(C)C)C2 ZINC001208734029 813823453 /nfs/dbraw/zinc/82/34/53/813823453.db2.gz YVYCEFRVGWLGTL-ROUUACIJSA-N 1 1 295.467 3.496 20 30 CGEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](CCCC(C)C)CCO2 ZINC001208735990 813825660 /nfs/dbraw/zinc/82/56/60/813825660.db2.gz VBZKANDTKXXXKA-ZWKOTPCHSA-N 1 1 295.467 3.496 20 30 CGEDMO C[N@@H+](CCCc1ccc(C#N)cc1)CCc1ccccn1 ZINC001208859418 813870810 /nfs/dbraw/zinc/87/08/10/813870810.db2.gz BZKOLOABRJPJPE-UHFFFAOYSA-N 1 1 279.387 3.060 20 30 CGEDMO C[C@H]1C[N@@H+](CCCc2ccc(C#N)cc2)CCC1(F)F ZINC001208859042 813872509 /nfs/dbraw/zinc/87/25/09/813872509.db2.gz BNJPCNSAFXRRFZ-ZDUSSCGKSA-N 1 1 278.346 3.468 20 30 CGEDMO CO[C@H]1CCC[C@@H]2C[N@@H+](CCCc3ccc(C#N)cc3)C[C@@H]21 ZINC001208862212 813872776 /nfs/dbraw/zinc/87/27/76/813872776.db2.gz VFOMLVLTECMWNY-QYZOEREBSA-N 1 1 298.430 3.238 20 30 CGEDMO N#Cc1cccc(O[C@H]2CCC[N@@H+](C[C@H]3CCC=CO3)C2)c1 ZINC001208881470 813878602 /nfs/dbraw/zinc/87/86/02/813878602.db2.gz XDSJJFWHSSPDFH-MSOLQXFVSA-N 1 1 298.386 3.094 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CC[C@@H]3CCC[C@@H]3C2)cc1 ZINC001208925623 813901775 /nfs/dbraw/zinc/90/17/75/813901775.db2.gz JUUJJYSPFXCTCB-DLBZAZTESA-N 1 1 254.377 3.223 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCCC(C)C)C[C@H]1C ZINC001208953867 813911454 /nfs/dbraw/zinc/91/14/54/813911454.db2.gz ATHUCNNFONZZEP-HZPDHXFCSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001209158090 813950676 /nfs/dbraw/zinc/95/06/76/813950676.db2.gz KEZVBJFPVSEFMN-AWEZNQCLSA-N 1 1 294.439 3.141 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 ZINC001209158991 813951760 /nfs/dbraw/zinc/95/17/60/813951760.db2.gz YHZBUTAQQJLDOR-RHSMWYFYSA-N 1 1 294.439 3.332 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]1C ZINC001209160235 813952137 /nfs/dbraw/zinc/95/21/37/813952137.db2.gz KXEVKMZKPIAIPQ-UONOGXRCSA-N 1 1 282.428 3.330 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]1C ZINC001209163432 813953388 /nfs/dbraw/zinc/95/33/88/813953388.db2.gz DWAVDQZAWFGZIN-ZIAGYGMSSA-N 1 1 282.428 3.330 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@H]2[C@H]1CN2C(=O)OC(C)(C)C ZINC001209200833 813964475 /nfs/dbraw/zinc/96/44/75/813964475.db2.gz PIEJXFHGQVVRDI-LSDHHAIUSA-N 1 1 294.439 3.426 20 30 CGEDMO C=CCCCC[N@@H+]1CCCC[C@@](C)(C(=O)OCC)C1 ZINC001209201942 813964791 /nfs/dbraw/zinc/96/47/91/813964791.db2.gz ZSZRMHMLUZTRNU-MRXNPFEDSA-N 1 1 267.413 3.398 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@H](Oc2ccc(OC)cn2)C1 ZINC001209208188 813968142 /nfs/dbraw/zinc/96/81/42/813968142.db2.gz LZAHAHLUEVLCSR-INIZCTEOSA-N 1 1 290.407 3.290 20 30 CGEDMO C=CCCCC[N@H+]1CC[C@H](N2Cc3ccccc3NC2=O)C1 ZINC001209208650 813968508 /nfs/dbraw/zinc/96/85/08/813968508.db2.gz WGNVOLBUJDJAJY-INIZCTEOSA-N 1 1 299.418 3.465 20 30 CGEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCCCC(C)C)C1 ZINC001209208895 813970216 /nfs/dbraw/zinc/97/02/16/813970216.db2.gz NOWKCNZMLCWLAS-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO N#CCC[N@@H+](CCCC1OCCO1)C1CCCCCCC1 ZINC001209305594 813995928 /nfs/dbraw/zinc/99/59/28/813995928.db2.gz GEWKBECDMOZWEO-UHFFFAOYSA-N 1 1 294.439 3.468 20 30 CGEDMO CCC[N@H+](CCC#N)CCCCCCC(=O)OCC ZINC001209352870 814003533 /nfs/dbraw/zinc/00/35/33/814003533.db2.gz ZAWLOASWURTDAV-UHFFFAOYSA-N 1 1 268.401 3.126 20 30 CGEDMO C#C[C@H]1CCC[N@H+](CCCCCNC(=O)OC(C)(C)C)C1 ZINC001209375785 814005970 /nfs/dbraw/zinc/00/59/70/814005970.db2.gz ODDFVDFQQUFWMF-HNNXBMFYSA-N 1 1 294.439 3.027 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001209423289 814026214 /nfs/dbraw/zinc/02/62/14/814026214.db2.gz LTBFQDLFVLHILI-STQMWFEESA-N 1 1 297.336 3.460 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@]2(CCC(=O)N2)[C@@H]1CC ZINC001209423851 814026905 /nfs/dbraw/zinc/02/69/05/814026905.db2.gz FIXSUIFEHWVNPC-RDJZCZTQSA-N 1 1 278.440 3.256 20 30 CGEDMO C=CCCCCC[N@H+]1CCc2nc(Cl)ncc2C1 ZINC001209427615 814027583 /nfs/dbraw/zinc/02/75/83/814027583.db2.gz VLTOXZGZGBENBL-UHFFFAOYSA-N 1 1 265.788 3.235 20 30 CGEDMO C=CCCCCCC[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC001209431798 814031148 /nfs/dbraw/zinc/03/11/48/814031148.db2.gz SUZNRXJAJUULQY-ZDUSSCGKSA-N 1 1 279.346 3.370 20 30 CGEDMO C=CCCCCC[NH+]1CC(Oc2ccccc2C#N)C1 ZINC001209431197 814031352 /nfs/dbraw/zinc/03/13/52/814031352.db2.gz IWXWZIDULXSEAB-UHFFFAOYSA-N 1 1 270.376 3.368 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](Oc2ncccc2OC)C1 ZINC001209432726 814033511 /nfs/dbraw/zinc/03/35/11/814033511.db2.gz JKTCJEJAIGUNFK-OAHLLOKOSA-N 1 1 290.407 3.290 20 30 CGEDMO C=CCCCCCC[N@H+]1CC2CC1(C(=O)N1CCCC1)C2 ZINC001209437049 814036608 /nfs/dbraw/zinc/03/66/08/814036608.db2.gz FDRNVILUUHMCCD-UHFFFAOYSA-N 1 1 290.451 3.210 20 30 CGEDMO C=CCCCCCC[N@H+]1C[C@H](C)[C@]2(CCN(CC)C2=O)C1 ZINC001209435792 814036727 /nfs/dbraw/zinc/03/67/27/814036727.db2.gz NKCMVFACPXQRCD-WMZOPIPTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCCCCC[N@@H+]1CCC[C@@H](C(=O)OC)[C@H]1C ZINC001209435427 814036951 /nfs/dbraw/zinc/03/69/51/814036951.db2.gz CRWKPYJXZFHYAN-HUUCEWRRSA-N 1 1 267.413 3.396 20 30 CGEDMO C=CCCCCCC[N@@H+]1CC[C@H]2C[C@]21C(=O)OCC ZINC001209436222 814037686 /nfs/dbraw/zinc/03/76/86/814037686.db2.gz SGBOBXDRRNUXIF-GOEBONIOSA-N 1 1 265.397 3.150 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CCC[C@H](NC(C)=O)C1 ZINC001209439666 814038362 /nfs/dbraw/zinc/03/83/62/814038362.db2.gz VHIWFRDSKMWRNL-INIZCTEOSA-N 1 1 266.429 3.114 20 30 CGEDMO C=CCCCCCC[N@@H+]1CC[C@H](Oc2ncncc2C)C1 ZINC001209438487 814038429 /nfs/dbraw/zinc/03/84/29/814038429.db2.gz MDJZZJNSDRMHDT-INIZCTEOSA-N 1 1 289.423 3.375 20 30 CGEDMO C=CCCCCCCCN1CC[N@H+]2CCC[C@H]2C1 ZINC001209439385 814040014 /nfs/dbraw/zinc/04/00/14/814040014.db2.gz NXFQCDBKIHQWNG-INIZCTEOSA-N 1 1 250.430 3.293 20 30 CGEDMO C=CCCCCCC[N@@H+]1CCC[C@@H](NC(=O)CC)C1 ZINC001209440458 814040220 /nfs/dbraw/zinc/04/02/20/814040220.db2.gz KUPJMOHDGZDBBZ-OAHLLOKOSA-N 1 1 266.429 3.114 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC001209441238 814041390 /nfs/dbraw/zinc/04/13/90/814041390.db2.gz GBVKXRPKQXBPQX-MRXNPFEDSA-N 1 1 295.471 3.249 20 30 CGEDMO C=CCCCCCCC[N@@H+]1C[C@H]2OC[C@@H](C)[C@H]2C1 ZINC001209442283 814043713 /nfs/dbraw/zinc/04/37/13/814043713.db2.gz PUOFOPRALZDKRS-BZUAXINKSA-N 1 1 251.414 3.480 20 30 CGEDMO N#Cc1ccc(Nc2ccc3[nH]c[nH+]c3c2)cc1C#N ZINC001209847345 814163606 /nfs/dbraw/zinc/16/36/06/814163606.db2.gz ADFQGQJSQJJHKZ-UHFFFAOYSA-N 1 1 259.272 3.050 20 30 CGEDMO N#Cc1ccc(F)c(F)c1Nc1ccc2[nH]c[nH+]c2c1 ZINC001209850256 814169454 /nfs/dbraw/zinc/16/94/54/814169454.db2.gz JIRGTTJLHMWKSZ-UHFFFAOYSA-N 1 1 270.242 3.456 20 30 CGEDMO CCCCCCCCCCC[N@H+]1CCN[C@@H](COC)C1 ZINC001210027997 814251168 /nfs/dbraw/zinc/25/11/68/814251168.db2.gz GZITWYPBDWERLP-QGZVFWFLSA-N 1 1 284.488 3.437 20 30 CGEDMO CCCCCCCCCCCN1CC[NH2+][C@@H](COC)C1 ZINC001210027997 814251174 /nfs/dbraw/zinc/25/11/74/814251174.db2.gz GZITWYPBDWERLP-QGZVFWFLSA-N 1 1 284.488 3.437 20 30 CGEDMO COc1ccc(C2=CC(=O)C[C@H](C)C2)cc1C[NH+](C)C ZINC001242744421 823119865 /nfs/dbraw/zinc/11/98/65/823119865.db2.gz KSTPSXJTGMXMEO-GFCCVEGCSA-N 1 1 273.376 3.139 20 30 CGEDMO C=CC[C@@H]1CCCC[C@H]1NC(=O)Nc1cc(C)[nH+]c(C)c1 ZINC001215828566 815608819 /nfs/dbraw/zinc/60/88/19/815608819.db2.gz IWHANPAPYJZKOS-GDBMZVCRSA-N 1 1 287.407 3.377 20 30 CGEDMO CCCCCCCCCO[C@H]1CC[NH2+]CC(=O)C1 ZINC001217828774 815971548 /nfs/dbraw/zinc/97/15/48/815971548.db2.gz RZWMDTFHAZCDLA-HNNXBMFYSA-N 1 1 255.402 3.075 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCCC(C)(C)C)[C@@H]2C1 ZINC001221572224 816320796 /nfs/dbraw/zinc/32/07/96/816320796.db2.gz VAJAKUJKKFUCAI-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1C[C@H]2CC[N@H+](CCCCC)C[C@H]21 ZINC001221762345 816326450 /nfs/dbraw/zinc/32/64/50/816326450.db2.gz YZAYVJBXQXBAAZ-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC(C)(C)C(=O)N1C[C@H]2CC[N@H+](CCC(=C)C)C[C@H]21 ZINC001221839520 816329345 /nfs/dbraw/zinc/32/93/45/816329345.db2.gz WIZFYEFSSAXJCY-HZPDHXFCSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H](C)C(C)C)C[C@@H]21 ZINC001222406690 816436287 /nfs/dbraw/zinc/43/62/87/816436287.db2.gz BABVZMMETIDDJA-ZACQAIPSSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]2CC[N@H+](CC/C=C\CC)[C@H]2C1 ZINC001222432792 816444123 /nfs/dbraw/zinc/44/41/23/816444123.db2.gz YZWDUPOLDYERSZ-DBZNTZSBSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)CCCC)C[C@@H]21 ZINC001222631867 816485132 /nfs/dbraw/zinc/48/51/32/816485132.db2.gz HFFHCYKQBBUQKV-ZACQAIPSSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)C(CC)CC)C[C@@H]21 ZINC001223024339 816553941 /nfs/dbraw/zinc/55/39/41/816553941.db2.gz YRWJOCZXNKTBAD-OIISXLGYSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCO[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001224339340 816782633 /nfs/dbraw/zinc/78/26/33/816782633.db2.gz KHXIJBNTRSRZBJ-RCCFBDPRSA-N 1 1 271.404 3.490 20 30 CGEDMO CCCCCCCC[C@H](C)OCC[NH+]1CCN(C)CC1 ZINC001224550567 816827521 /nfs/dbraw/zinc/82/75/21/816827521.db2.gz WXXVBMDCSKSIKK-KRWDZBQOSA-N 1 1 284.488 3.390 20 30 CGEDMO N#CCCCCCO[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001224689657 816853950 /nfs/dbraw/zinc/85/39/50/816853950.db2.gz GRZJSVCMAGBDJL-GOSISDBHSA-N 1 1 297.402 3.233 20 30 CGEDMO C[C@H](c1ccccn1)[N@H+]1CCC[C@H](OCC#CC2CC2)C1 ZINC001224849318 816892932 /nfs/dbraw/zinc/89/29/32/816892932.db2.gz BJXJLPKAQDSHPG-WBVHZDCISA-N 1 1 284.403 3.037 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OCC#CC1CC1 ZINC001224845045 816893393 /nfs/dbraw/zinc/89/33/93/816893393.db2.gz VDGKMSDTXYTQSQ-QFBILLFUSA-N 1 1 283.415 3.327 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OCC#CC1CC1 ZINC001224851308 816894968 /nfs/dbraw/zinc/89/49/68/816894968.db2.gz YLDMOBYQVYCCCD-VQIMIIECSA-N 1 1 283.415 3.327 20 30 CGEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC001225353350 817024098 /nfs/dbraw/zinc/02/40/98/817024098.db2.gz LDDJCDNMDUICHD-KRWDZBQOSA-N 1 1 296.345 3.351 20 30 CGEDMO C=C(C)n1c2ccccc2nc1O[C@@H]1CCC[N@H+](CC)C1 ZINC001226218070 817301007 /nfs/dbraw/zinc/30/10/07/817301007.db2.gz CAKRZVQFELNQKI-CQSZACIVSA-N 1 1 285.391 3.390 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cc2C#N)C1 ZINC001227000411 817530336 /nfs/dbraw/zinc/53/03/36/817530336.db2.gz GANQXMASYOXEPG-ZDUSSCGKSA-N 1 1 298.308 3.439 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H](C)CCCC)CC1 ZINC001227192307 817586875 /nfs/dbraw/zinc/58/68/75/817586875.db2.gz MZNQEIGMIUATBK-LBPRGKRZSA-N 1 1 286.847 3.146 20 30 CGEDMO C[N@H+]1CCC[C@@H](Oc2ccc(C#N)c(Cl)c2)CC1 ZINC001227204487 817590701 /nfs/dbraw/zinc/59/07/01/817590701.db2.gz MPTYQWSSVCZPQB-GFCCVEGCSA-N 1 1 264.756 3.075 20 30 CGEDMO CC(C)(C)[NH+]1CC(Oc2ccc(C#N)c(Cl)c2)C1 ZINC001227204776 817590878 /nfs/dbraw/zinc/59/08/78/817590878.db2.gz XRWQQKMJZAOAIM-UHFFFAOYSA-N 1 1 264.756 3.073 20 30 CGEDMO C=CCC(CC=C)C(=O)NC1CC[NH+](CC(=C)Cl)CC1 ZINC001227520820 817663153 /nfs/dbraw/zinc/66/31/53/817663153.db2.gz RNMZLLCIERDCBA-UHFFFAOYSA-N 1 1 296.842 3.088 20 30 CGEDMO Cc1cc(C#N)cc(O[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001227838031 817730356 /nfs/dbraw/zinc/73/03/56/817730356.db2.gz HZNFGLVJSUYQQA-OAHLLOKOSA-N 1 1 258.365 3.118 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)CCCC(C)(C)C ZINC001231227357 818061640 /nfs/dbraw/zinc/06/16/40/818061640.db2.gz YAIGCPNRCPVABG-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO Cc1c(F)ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)c1F ZINC001231477924 818106131 /nfs/dbraw/zinc/10/61/31/818106131.db2.gz TWDPXFRRMRVHMN-LBPRGKRZSA-N 1 1 264.319 3.399 20 30 CGEDMO Cc1c(F)ccc(C[N@H+]2CCC[C@@H](CC#N)C2)c1F ZINC001231477924 818106135 /nfs/dbraw/zinc/10/61/35/818106135.db2.gz TWDPXFRRMRVHMN-LBPRGKRZSA-N 1 1 264.319 3.399 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@@H+](C)C2CC(F)(F)C2)cc1 ZINC001231818295 818184560 /nfs/dbraw/zinc/18/45/60/818184560.db2.gz MILPVWBRIHLDTL-UHFFFAOYSA-N 1 1 293.361 3.266 20 30 CGEDMO N#CCC[N@H+](Cc1cc2ncccc2[nH]1)C1CCCC1 ZINC001232069882 818245893 /nfs/dbraw/zinc/24/58/93/818245893.db2.gz NDFFFZHEEUQBIF-UHFFFAOYSA-N 1 1 268.364 3.221 20 30 CGEDMO N#CCC[N@@H+](Cc1cc2ncccc2[nH]1)C1CCCC1 ZINC001232069882 818245897 /nfs/dbraw/zinc/24/58/97/818245897.db2.gz NDFFFZHEEUQBIF-UHFFFAOYSA-N 1 1 268.364 3.221 20 30 CGEDMO C[C@@]1(CO)CCC[N@@H+](Cc2ccc(C#N)c(Cl)c2)CC1 ZINC001232111720 818258512 /nfs/dbraw/zinc/25/85/12/818258512.db2.gz KHLIZRUHWOSZAC-MRXNPFEDSA-N 1 1 292.810 3.196 20 30 CGEDMO COCc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1 ZINC001232301994 818307114 /nfs/dbraw/zinc/30/71/14/818307114.db2.gz UUSPCLSQODKCQU-OSYLJGHBSA-N 1 1 270.376 3.100 20 30 CGEDMO COc1ccc([C@H](C)[N@@H+](C)Cc2cc(C#N)ccn2)cc1 ZINC001232479614 818364737 /nfs/dbraw/zinc/36/47/37/818364737.db2.gz UIDHNEUAZNDNMD-ZDUSSCGKSA-N 1 1 281.359 3.155 20 30 CGEDMO C=CC[N@@H+](Cc1cncc2cnccc21)C(C)(C)C ZINC001232652782 818412120 /nfs/dbraw/zinc/41/21/20/818412120.db2.gz DKAYESLLKNMLJF-UHFFFAOYSA-N 1 1 255.365 3.416 20 30 CGEDMO C[N@@H+](Cc1c[nH]c2ccc(O)cc12)Cc1ccc(C#N)cc1 ZINC001232865900 818457706 /nfs/dbraw/zinc/45/77/06/818457706.db2.gz HHIHDOUTGPLFDM-UHFFFAOYSA-N 1 1 291.354 3.377 20 30 CGEDMO Cc1cc(O)cc(C[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC001232881861 818461892 /nfs/dbraw/zinc/46/18/92/818461892.db2.gz LFJRTTLXWXATDE-UHFFFAOYSA-N 1 1 266.344 3.204 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccccc2-n2cccc2)C1 ZINC001232910069 818471413 /nfs/dbraw/zinc/47/14/13/818471413.db2.gz CYVFKVCPIPOBHM-MRXNPFEDSA-N 1 1 264.372 3.323 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC=C(c3ccccc3)CC2)n1 ZINC001232925983 818475563 /nfs/dbraw/zinc/47/55/63/818475563.db2.gz VYIDTDUQQDCPOK-UHFFFAOYSA-N 1 1 275.355 3.243 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CC=C(c3ccccc3)CC2)n1 ZINC001232925983 818475566 /nfs/dbraw/zinc/47/55/66/818475566.db2.gz VYIDTDUQQDCPOK-UHFFFAOYSA-N 1 1 275.355 3.243 20 30 CGEDMO C=CC[N@H+](Cc1cc(O)c(O)c(O)c1)C1CCCCC1 ZINC001233016434 818502983 /nfs/dbraw/zinc/50/29/83/818502983.db2.gz XNPXNSJTFNNLHJ-UHFFFAOYSA-N 1 1 277.364 3.124 20 30 CGEDMO N#Cc1cc[nH]c1C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC001233048125 818510022 /nfs/dbraw/zinc/51/00/22/818510022.db2.gz WNBXMCJEIPWWAS-CQSZACIVSA-N 1 1 269.323 3.015 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCCC(F)(F)[C@@H](F)C1 ZINC001233080021 818519699 /nfs/dbraw/zinc/51/96/99/818519699.db2.gz BMVBFSWRSICNDY-AWEZNQCLSA-N 1 1 282.309 3.436 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCC(F)(F)[C@@H](F)C1 ZINC001233080021 818519705 /nfs/dbraw/zinc/51/97/05/818519705.db2.gz BMVBFSWRSICNDY-AWEZNQCLSA-N 1 1 282.309 3.436 20 30 CGEDMO C=CC[N@@H+](C)Cc1ccc(Cl)c(Br)n1 ZINC001233092554 818520801 /nfs/dbraw/zinc/52/08/01/818520801.db2.gz NMKHXEBOPXMBEM-UHFFFAOYSA-N 1 1 275.577 3.115 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(Cl)c(Br)n1 ZINC001233092554 818520805 /nfs/dbraw/zinc/52/08/05/818520805.db2.gz NMKHXEBOPXMBEM-UHFFFAOYSA-N 1 1 275.577 3.115 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(C#N)c2F)[C@H]1C ZINC001233100546 818521626 /nfs/dbraw/zinc/52/16/26/818521626.db2.gz JPENXQZJTZNMDR-STQMWFEESA-N 1 1 289.398 3.384 20 30 CGEDMO C=CC[N@H+](C)Cc1cc(Br)cc(OC)c1 ZINC001233214843 818543016 /nfs/dbraw/zinc/54/30/16/818543016.db2.gz FXKLEGLQJDEMPX-UHFFFAOYSA-N 1 1 270.170 3.076 20 30 CGEDMO N#Cc1ccc(C[NH+]2CCC3(CCCC3)CC2)c(O)c1 ZINC001233384075 818606220 /nfs/dbraw/zinc/60/62/20/818606220.db2.gz GITHPZPRZHWLAP-UHFFFAOYSA-N 1 1 270.376 3.420 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2c2cccnc2)c(O)c1 ZINC001233386202 818606295 /nfs/dbraw/zinc/60/62/95/818606295.db2.gz JWMADOOPDFMJHK-KRWDZBQOSA-N 1 1 293.370 3.386 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCC[C@H]2c2cccnc2)c(O)c1 ZINC001233386202 818606299 /nfs/dbraw/zinc/60/62/99/818606299.db2.gz JWMADOOPDFMJHK-KRWDZBQOSA-N 1 1 293.370 3.386 20 30 CGEDMO C[N@H+](CCCc1ccccc1)Cc1ccc(C#N)cc1O ZINC001233385952 818607045 /nfs/dbraw/zinc/60/70/45/818607045.db2.gz ZHBQQEUOHXWQLC-UHFFFAOYSA-N 1 1 280.371 3.328 20 30 CGEDMO C[N@@H+](CCCc1ccccc1)Cc1ccc(C#N)cc1O ZINC001233385952 818607050 /nfs/dbraw/zinc/60/70/50/818607050.db2.gz ZHBQQEUOHXWQLC-UHFFFAOYSA-N 1 1 280.371 3.328 20 30 CGEDMO N#Cc1ccc(C[NH+]2C3CCCC2CCC3)c(O)c1 ZINC001233387771 818607547 /nfs/dbraw/zinc/60/75/47/818607547.db2.gz XRLFWSTYAUFYRH-UHFFFAOYSA-N 1 1 256.349 3.171 20 30 CGEDMO C=CC[N@H+](Cc1cc(O)c(O)cc1O)C1CCCCC1 ZINC001233487008 818625526 /nfs/dbraw/zinc/62/55/26/818625526.db2.gz LIMWXXAZHQZSPY-UHFFFAOYSA-N 1 1 277.364 3.124 20 30 CGEDMO CCc1cc(C)c(C#N)c(O[C@H]2CCC[N@H+](C(C)C)C2)n1 ZINC001233557476 818640963 /nfs/dbraw/zinc/64/09/63/818640963.db2.gz YYDGCYFGOLDBIV-HNNXBMFYSA-N 1 1 287.407 3.076 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)CCc1ccco1 ZINC001233855017 818718402 /nfs/dbraw/zinc/71/84/02/818718402.db2.gz CRCVXCRZZWWKKT-OAHLLOKOSA-N 1 1 292.423 3.005 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)Cc1ccc2c(n1)OCCO2 ZINC001233885742 818724555 /nfs/dbraw/zinc/72/45/55/818724555.db2.gz NZNIXDOUUZCVNU-UHFFFAOYSA-N 1 1 296.370 3.041 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc2c(n1)OCCO2 ZINC001233885742 818724558 /nfs/dbraw/zinc/72/45/58/818724558.db2.gz NZNIXDOUUZCVNU-UHFFFAOYSA-N 1 1 296.370 3.041 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)CC1(C)CCCC1 ZINC001234089933 818776058 /nfs/dbraw/zinc/77/60/58/818776058.db2.gz WKNMXLSGCHACED-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO CN(C[C@@H]1CC[N@H+]1CCC(C)(C)C)C(=O)C#CC(C)(C)C ZINC001234204281 818801786 /nfs/dbraw/zinc/80/17/86/818801786.db2.gz BODBXAYTFBCFJA-HNNXBMFYSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CC(C)(C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1C[C@H](C)CC ZINC001234536674 818877585 /nfs/dbraw/zinc/87/75/85/818877585.db2.gz GQGVQOQSTGOXBD-CABCVRRESA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC(C)(C)C=C ZINC001234554411 818881358 /nfs/dbraw/zinc/88/13/58/818881358.db2.gz ICCXYQRDLHIBNA-OAHLLOKOSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccccc1 ZINC001234604553 818890138 /nfs/dbraw/zinc/89/01/38/818890138.db2.gz QFGHWLXJEXUYAE-QGZVFWFLSA-N 1 1 286.419 3.076 20 30 CGEDMO C=CCCC(=O)NCCC[N@H+](C)CC1CCC2(CC2)CC1 ZINC001235452008 819103272 /nfs/dbraw/zinc/10/32/72/819103272.db2.gz SYOFQUJFFRDTOC-UHFFFAOYSA-N 1 1 292.467 3.361 20 30 CGEDMO C[N@@H+](CCc1ccccc1)Cc1ccccc1CC#N ZINC001235511046 819113260 /nfs/dbraw/zinc/11/32/60/819113260.db2.gz FUGIOGPQDZKQFR-UHFFFAOYSA-N 1 1 264.372 3.427 20 30 CGEDMO COCC[C@@H]1CCCC[N@@H+]1Cc1c(F)cc(C#N)cc1F ZINC001235657371 819130875 /nfs/dbraw/zinc/13/08/75/819130875.db2.gz OJQKGQWOTFGOLP-ZDUSSCGKSA-N 1 1 294.345 3.227 20 30 CGEDMO COCC[C@@H]1CCCC[N@H+]1Cc1c(F)cc(C#N)cc1F ZINC001235657371 819130876 /nfs/dbraw/zinc/13/08/76/819130876.db2.gz OJQKGQWOTFGOLP-ZDUSSCGKSA-N 1 1 294.345 3.227 20 30 CGEDMO CCCCCCCC[N@@H+](C)CC[C@H]1COC(C)(C)N1 ZINC001235662879 819132604 /nfs/dbraw/zinc/13/26/04/819132604.db2.gz COWUNNVZDDOCOG-HNNXBMFYSA-N 1 1 270.461 3.393 20 30 CGEDMO COc1ccc(C[NH+]2CCC(CC#N)CC2)c(O)c1Cl ZINC001236812493 819604561 /nfs/dbraw/zinc/60/45/61/819604561.db2.gz XODLHAQZBLZOMH-UHFFFAOYSA-N 1 1 294.782 3.180 20 30 CGEDMO CCCCCCC[N@@H+](C)Cc1ccccc1OCCO ZINC001237201622 819697469 /nfs/dbraw/zinc/69/74/69/819697469.db2.gz WSIFRQPSHOGBAW-UHFFFAOYSA-N 1 1 279.424 3.460 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)Cc1ccc(C(=O)OC)nc1 ZINC001237453170 819754737 /nfs/dbraw/zinc/75/47/37/819754737.db2.gz JICFWGAGRCAYBZ-UHFFFAOYSA-N 1 1 296.370 3.056 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(C(=O)OC)nc1 ZINC001237453170 819754746 /nfs/dbraw/zinc/75/47/46/819754746.db2.gz JICFWGAGRCAYBZ-UHFFFAOYSA-N 1 1 296.370 3.056 20 30 CGEDMO Cc1cccc(O)c1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC001237491142 819763580 /nfs/dbraw/zinc/76/35/80/819763580.db2.gz HMANZBYQHVAQKC-UHFFFAOYSA-N 1 1 266.344 3.204 20 30 CGEDMO COCCC1CC[NH+](Cc2cc(C#N)c(F)cc2F)CC1 ZINC001237525123 819771581 /nfs/dbraw/zinc/77/15/81/819771581.db2.gz AZISQQBOOZBVMH-UHFFFAOYSA-N 1 1 294.345 3.085 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2cc(C#N)c(F)cc2F)[C@H]1C ZINC001237525257 819772215 /nfs/dbraw/zinc/77/22/15/819772215.db2.gz CEWXDLLFSIAVFC-QWRGUYRKSA-N 1 1 264.319 3.457 20 30 CGEDMO CC[C@@H]1CC[N@@H+](Cc2cc(C#N)c(F)cc2F)C1 ZINC001237538046 819774065 /nfs/dbraw/zinc/77/40/65/819774065.db2.gz SKJOSOMSRJANKF-SNVBAGLBSA-N 1 1 250.292 3.068 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)c1 ZINC001237753102 819836823 /nfs/dbraw/zinc/83/68/23/819836823.db2.gz KVCZETHNCMWRPG-ZFWWWQNUSA-N 1 1 288.778 3.013 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)c1 ZINC001237753095 819837304 /nfs/dbraw/zinc/83/73/04/819837304.db2.gz KVCZETHNCMWRPG-DZGCQCFKSA-N 1 1 288.778 3.013 20 30 CGEDMO CC[N@@H+](C)C1CCN(Cc2ccc(Cl)c(C#N)c2)CC1 ZINC001238195400 819952432 /nfs/dbraw/zinc/95/24/32/819952432.db2.gz GRDVOKSJTQKMQP-UHFFFAOYSA-N 1 1 291.826 3.128 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)c(OC)c1)Cc1ccccc1O ZINC001238412185 819987947 /nfs/dbraw/zinc/98/79/47/819987947.db2.gz ACILDQSVLIFVFF-UHFFFAOYSA-N 1 1 296.370 3.295 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC001238412306 819988206 /nfs/dbraw/zinc/98/82/06/819988206.db2.gz FXFWXBHTFWOHBP-UHFFFAOYSA-N 1 1 258.365 3.355 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@@H](C)[C@H](C)C2)ccc1C#N ZINC001238410863 819988663 /nfs/dbraw/zinc/98/86/63/819988663.db2.gz VDAWCFGBNLXGEN-ZIAGYGMSSA-N 1 1 272.392 3.435 20 30 CGEDMO COc1cc(C[N@H+]2CC[C@@H](C)C(F)(F)CC2)ccc1C#N ZINC001238411036 819988704 /nfs/dbraw/zinc/98/87/04/819988704.db2.gz XIERRRWWUVLUFG-GFCCVEGCSA-N 1 1 294.345 3.434 20 30 CGEDMO CCOc1ccc(C)c(C[N@@H+]2CC[C@](C)(C#N)C2)c1 ZINC001238714366 820097016 /nfs/dbraw/zinc/09/70/16/820097016.db2.gz SHVUFFGFHULABW-MRXNPFEDSA-N 1 1 258.365 3.129 20 30 CGEDMO CCOc1ccc(C)c(C[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC001238714366 820097027 /nfs/dbraw/zinc/09/70/27/820097027.db2.gz SHVUFFGFHULABW-MRXNPFEDSA-N 1 1 258.365 3.129 20 30 CGEDMO CCc1cc(CN2CC[C@@H]([N@@H+](C)C(C)C)C2)ccc1C#N ZINC001238770232 820113135 /nfs/dbraw/zinc/11/31/35/820113135.db2.gz ZMFQTUIHZDDKLF-GOSISDBHSA-N 1 1 285.435 3.035 20 30 CGEDMO CCCO[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(CC)c2)C1 ZINC001238769665 820113749 /nfs/dbraw/zinc/11/37/49/820113749.db2.gz CFAPRCARMVFCKJ-QGZVFWFLSA-N 1 1 272.392 3.122 20 30 CGEDMO CCc1cc(C[N@H+](C)C2CCN(CC)CC2)ccc1C#N ZINC001238778948 820116797 /nfs/dbraw/zinc/11/67/97/820116797.db2.gz QUVHUKPYFQBCDC-UHFFFAOYSA-N 1 1 285.435 3.037 20 30 CGEDMO CCc1cc(CN(C)C2CC[NH+](CC)CC2)ccc1C#N ZINC001238778948 820116801 /nfs/dbraw/zinc/11/68/01/820116801.db2.gz QUVHUKPYFQBCDC-UHFFFAOYSA-N 1 1 285.435 3.037 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1ccc(C#N)c(CC)c1 ZINC001238778594 820116934 /nfs/dbraw/zinc/11/69/34/820116934.db2.gz PFNCSMDVWHXZID-UHFFFAOYSA-N 1 1 255.365 3.246 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1ccc(C#N)c(CC)c1 ZINC001238778594 820116935 /nfs/dbraw/zinc/11/69/35/820116935.db2.gz PFNCSMDVWHXZID-UHFFFAOYSA-N 1 1 255.365 3.246 20 30 CGEDMO COc1cc(-c2c[nH+]c(N(C)C)cc2C)ccc1CC#N ZINC001241242462 821663584 /nfs/dbraw/zinc/66/35/84/821663584.db2.gz CLRVXECPCMKRKN-UHFFFAOYSA-N 1 1 281.359 3.198 20 30 CGEDMO C#Cc1cccc(-c2ccc(C[N@H+](C)C3CC3)cn2)c1 ZINC001241918894 822218421 /nfs/dbraw/zinc/21/84/21/822218421.db2.gz SSNPCBJLSDGHGW-UHFFFAOYSA-N 1 1 262.356 3.324 20 30 CGEDMO N#Cc1cc(Cl)cc(-c2cc(-n3ccnc3)cc[nH+]2)c1 ZINC001242569098 823037449 /nfs/dbraw/zinc/03/74/49/823037449.db2.gz JBAGYKQAMJDGSY-UHFFFAOYSA-N 1 1 280.718 3.459 20 30 CGEDMO C#CC[N@@H+](CC(=O)Nc1ccccc1C(C)(C)C)CC1CC1 ZINC001341067767 936426287 /nfs/dbraw/zinc/42/62/87/936426287.db2.gz VHLWAMKDAZQUMN-UHFFFAOYSA-N 1 1 298.430 3.268 20 30 CGEDMO C#CC[N@H+](CC(=O)Nc1ccccc1C(C)(C)C)CC1CC1 ZINC001341067767 936426288 /nfs/dbraw/zinc/42/62/88/936426288.db2.gz VHLWAMKDAZQUMN-UHFFFAOYSA-N 1 1 298.430 3.268 20 30 CGEDMO C=CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccsc1 ZINC001479240577 936461839 /nfs/dbraw/zinc/46/18/39/936461839.db2.gz HWLKHIULUMGKAJ-HNNXBMFYSA-N 1 1 292.448 3.137 20 30 CGEDMO C=CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccsc1 ZINC001479240577 936461840 /nfs/dbraw/zinc/46/18/40/936461840.db2.gz HWLKHIULUMGKAJ-HNNXBMFYSA-N 1 1 292.448 3.137 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC001342324350 936464870 /nfs/dbraw/zinc/46/48/70/936464870.db2.gz HKMSSHOKNZHGDR-INIZCTEOSA-N 1 1 284.359 3.119 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC001342324350 936464872 /nfs/dbraw/zinc/46/48/72/936464872.db2.gz HKMSSHOKNZHGDR-INIZCTEOSA-N 1 1 284.359 3.119 20 30 CGEDMO C=C(C)CCC(=O)OC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001343754741 936513164 /nfs/dbraw/zinc/51/31/64/936513164.db2.gz KBTBNMADBMNQBQ-CQSZACIVSA-N 1 1 253.386 3.006 20 30 CGEDMO C=C(Cl)C[NH2+]C1(c2ccccc2OC)CCC1 ZINC001345030136 936798113 /nfs/dbraw/zinc/79/81/13/936798113.db2.gz OJWXFGRFJCPFDC-UHFFFAOYSA-N 1 1 251.757 3.417 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccc(Cl)c(OC)c2)C1 ZINC001347840255 936898793 /nfs/dbraw/zinc/89/87/93/936898793.db2.gz QFASDCIOXWUBOC-ZDUSSCGKSA-N 1 1 281.783 3.126 20 30 CGEDMO C=CC(C)(C)CCOC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001348751369 936932858 /nfs/dbraw/zinc/93/28/58/936932858.db2.gz WWKQNJLLIGZPHA-UHFFFAOYSA-N 1 1 285.347 3.026 20 30 CGEDMO C=C(CC(C)C)C(=O)N1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC001352830361 937050561 /nfs/dbraw/zinc/05/05/61/937050561.db2.gz RYNGRIBHQPKEOZ-UHFFFAOYSA-N 1 1 289.423 3.335 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)[C@@H]1C[C@]1(C)C(C)C ZINC001481010121 926857669 /nfs/dbraw/zinc/85/76/69/926857669.db2.gz UADUEPSXJXMOSX-DOTOQJQBSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H]1CC[N@H+](CC(CC)CC)C1 ZINC001481105719 926886544 /nfs/dbraw/zinc/88/65/44/926886544.db2.gz MAKMXHARXNQLKX-OAHLLOKOSA-N 1 1 280.456 3.073 20 30 CGEDMO C#CCC[N@H+](CCCNC(=O)C(F)=C1CCCC1)C(C)C ZINC001481349278 926964121 /nfs/dbraw/zinc/96/41/21/926964121.db2.gz YPHUCWYLXDSHSP-UHFFFAOYSA-N 1 1 294.414 3.024 20 30 CGEDMO C#CC[N@H+](CCCNC(=O)[C@H]1CCC[C@H]1CCC)C(C)C ZINC001481350875 926964183 /nfs/dbraw/zinc/96/41/83/926964183.db2.gz TYBWJFGSNFBECY-SJORKVTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)C[C@H]1CC[C@H](C)C1)C(C)C ZINC001481353511 926964321 /nfs/dbraw/zinc/96/43/21/926964321.db2.gz JRRUWHZGQKOVEW-HOTGVXAUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC001481474780 926996295 /nfs/dbraw/zinc/99/62/95/926996295.db2.gz CFMFDAMTUIOQQC-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)CC1CCN(C(=O)/C(C)=C\C)CC1 ZINC001481513170 927010559 /nfs/dbraw/zinc/01/05/59/927010559.db2.gz JJTIWZCLKMMQDU-NXADEVLQSA-N 1 1 292.467 3.478 20 30 CGEDMO N#C[C@H]1CC[C@H](Nc2cc3[nH+]c[nH]c3cc2F)CC1 ZINC001167846318 927032038 /nfs/dbraw/zinc/03/20/38/927032038.db2.gz XZRQNABRGIHKBE-MGCOHNPYSA-N 1 1 258.300 3.196 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(CC)CCCC1 ZINC001481680110 927052546 /nfs/dbraw/zinc/05/25/46/927052546.db2.gz SJKKXJBIXNXAGM-HOTGVXAUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](N(C)C(=O)CC2CC2)C1 ZINC001481711517 927069864 /nfs/dbraw/zinc/06/98/64/927069864.db2.gz JUAFXBGCUMCEPP-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N(CC)[C@H]1CC[N@@H+](CC(=C)C)C1 ZINC001481772519 927085228 /nfs/dbraw/zinc/08/52/28/927085228.db2.gz HQYPRMAKAMCKNW-HOTGVXAUSA-N 1 1 278.440 3.088 20 30 CGEDMO N#CC1(c2ccccc2)CC([NH2+]Cc2c(O)cccc2F)C1 ZINC001355347147 937137225 /nfs/dbraw/zinc/13/72/25/937137225.db2.gz CRLFSYGCJUQMLB-UHFFFAOYSA-N 1 1 296.345 3.245 20 30 CGEDMO C#Cc1ccc(C(=O)N(C)CC[N@H+](C)[C@@H](C)CCC=C)cc1 ZINC001482617288 927325370 /nfs/dbraw/zinc/32/53/70/927325370.db2.gz ARGKSVJRXAZBIZ-INIZCTEOSA-N 1 1 298.430 3.026 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CC2CCCC2)C1 ZINC001482657276 927339891 /nfs/dbraw/zinc/33/98/91/927339891.db2.gz KZIZQTOCKSEZRX-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCCC)C1 ZINC001482659554 927339961 /nfs/dbraw/zinc/33/99/61/927339961.db2.gz OQUPTVUHWUYGBC-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO C[N@H+]1CCc2ncc(Nc3ccc(C#N)cc3Cl)cc2C1 ZINC001213991597 927449545 /nfs/dbraw/zinc/44/95/45/927449545.db2.gz KIHNNMMHUBAXNE-UHFFFAOYSA-N 1 1 298.777 3.338 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]1CNC(=O)c1ccoc1C ZINC001483632416 927553353 /nfs/dbraw/zinc/55/33/53/927553353.db2.gz ZXOUINNZZQPYHG-HNNXBMFYSA-N 1 1 292.423 3.363 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)CC1=CCCCC1 ZINC001483639359 927557046 /nfs/dbraw/zinc/55/70/46/927557046.db2.gz IBOFRWSIXAJYOP-NVXWUHKLSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)C/C=C(\C)C=C ZINC001483674201 927564875 /nfs/dbraw/zinc/56/48/75/927564875.db2.gz XCURYDSMRKGPBO-IYSULOHHSA-N 1 1 276.424 3.054 20 30 CGEDMO C=CC[N@H+](CCNC(=O)[C@H]1CC1(C)C)C1CCCCCC1 ZINC001483814570 927627619 /nfs/dbraw/zinc/62/76/19/927627619.db2.gz KNRPQCJYVDOPHS-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)C3CCC3)C2)C1 ZINC001483827898 927630592 /nfs/dbraw/zinc/63/05/92/927630592.db2.gz FXTOXVKUMYJSOY-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCCC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCCC)C2 ZINC001483828802 927630903 /nfs/dbraw/zinc/63/09/03/927630903.db2.gz ANDAGJXOUIAJJE-KRWDZBQOSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](CC)CCC)C2)C1 ZINC001483833331 927631109 /nfs/dbraw/zinc/63/11/09/927631109.db2.gz JPXJUAHJNBSDHL-WMZOPIPTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)C2(F)CCCC2)C1 ZINC001484050619 927667730 /nfs/dbraw/zinc/66/77/30/927667730.db2.gz IEUDZQCIOSLACT-GDBMZVCRSA-N 1 1 296.430 3.204 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@](C)(NC(=O)C2(F)CCCCC2)C1 ZINC001484063885 927670338 /nfs/dbraw/zinc/67/03/38/927670338.db2.gz HCDFZHWOAAHRKE-INIZCTEOSA-N 1 1 296.430 3.206 20 30 CGEDMO CCCCC[N@H+]1CCC[C@](C)(CNC(=O)C#CC(C)C)C1 ZINC001484158425 927684443 /nfs/dbraw/zinc/68/44/43/927684443.db2.gz BNTTUZSZRDOMHN-GOSISDBHSA-N 1 1 292.467 3.054 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(C)=O ZINC001484451242 927706925 /nfs/dbraw/zinc/70/69/25/927706925.db2.gz XLYVTFJKCDXDNL-CVEARBPZSA-N 1 1 266.429 3.042 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)CCC2(C)CC2)CC1 ZINC001484723390 927742427 /nfs/dbraw/zinc/74/24/27/927742427.db2.gz GPWRVHBRBDQNGN-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C2(CCC)CC2)CC1 ZINC001484722071 927746067 /nfs/dbraw/zinc/74/60/67/927746067.db2.gz RBWBQAKACGDDRP-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@H+](C)CCCN(C)C(=O)C1(F)CCCCC1 ZINC001484764199 927750883 /nfs/dbraw/zinc/75/08/83/927750883.db2.gz FHTOTBYJFDXAPE-UHFFFAOYSA-N 1 1 298.446 3.405 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)c1ccc2cc[nH]c2c1 ZINC001484759718 927756548 /nfs/dbraw/zinc/75/65/48/927756548.db2.gz CIMNYEQKGRPRKX-UHFFFAOYSA-N 1 1 299.418 3.138 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C2CC(C)(C)C2)C[C@@H]1C ZINC001484974530 927781752 /nfs/dbraw/zinc/78/17/52/927781752.db2.gz VHKDBSDOIFBQIT-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)c1cscc1Cl ZINC001485314196 927842478 /nfs/dbraw/zinc/84/24/78/927842478.db2.gz VZMIBHXYDPHFMV-SNVBAGLBSA-N 1 1 286.828 3.028 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@H](C)CNC(=O)C1(CC)CCC1 ZINC001485341697 927850960 /nfs/dbraw/zinc/85/09/60/927850960.db2.gz LTJPHEYMETWRBO-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H](C)[N@@H+](C)Cc1cccc(C)c1 ZINC001485338228 927852029 /nfs/dbraw/zinc/85/20/29/927852029.db2.gz GXVJHRJRCVGCNT-OAHLLOKOSA-N 1 1 288.435 3.144 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@H](C)[N@@H+](C)CC1CC(C)C1 ZINC001485359384 927856263 /nfs/dbraw/zinc/85/62/63/927856263.db2.gz WSFHPNICQUCHIG-SLTAFYQDSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)[C@@H](C)CCC(C)(C)C)C(C)(C)C1 ZINC001485583278 927892435 /nfs/dbraw/zinc/89/24/35/927892435.db2.gz ZNSIRHFSJCFYTP-GJZGRUSLSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCCC(=O)N1CC2(C1)CCC[N@H+](CCC(=C)C)C2 ZINC001485664594 927899601 /nfs/dbraw/zinc/89/96/01/927899601.db2.gz IARZFBSKBIJBNF-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)CSCCC)[C@@H]1C ZINC001486172581 927992897 /nfs/dbraw/zinc/99/28/97/927992897.db2.gz WQPGRPUVYVPPDL-LSDHHAIUSA-N 1 1 298.496 3.065 20 30 CGEDMO CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)C#CC(C)C)[C@H]1C ZINC001486174331 927997333 /nfs/dbraw/zinc/99/73/33/927997333.db2.gz UOGSBJUTRBFPLA-NVXWUHKLSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)CC(C)(C)CC)[C@H]1C ZINC001486174566 927997758 /nfs/dbraw/zinc/99/77/58/927997758.db2.gz XEYREWBPGXHYAL-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC(C)(C)CC(=O)N(CC[N@@H+](C)CC1CC1)C(C)C ZINC001486369391 928011535 /nfs/dbraw/zinc/01/15/35/928011535.db2.gz GBFGAAUNORGTAA-UHFFFAOYSA-N 1 1 280.456 3.168 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)[C@@H]2C[C@@]2(C)C(C)C)C1 ZINC001494473505 928058334 /nfs/dbraw/zinc/05/83/34/928058334.db2.gz QRVQENUDRVBKOC-WMZOPIPTSA-N 1 1 294.483 3.439 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)[C@H](COC)Cc2ccccc2)cc1 ZINC000809652624 928140720 /nfs/dbraw/zinc/14/07/20/928140720.db2.gz IZZUGBSQEHYQCE-FQEVSTJZSA-N 1 1 293.410 3.357 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1cccc(O)c1 ZINC001171204458 928199756 /nfs/dbraw/zinc/19/97/56/928199756.db2.gz YDQPJPNNSUVYKK-AWEZNQCLSA-N 1 1 280.371 3.327 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)C2(CC(C)C)CC2)C1 ZINC001190596348 928256170 /nfs/dbraw/zinc/25/61/70/928256170.db2.gz ZHYUJHZXDVCQPA-AWEZNQCLSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)C2(CC(C)C)CC2)C1 ZINC001190596348 928256180 /nfs/dbraw/zinc/25/61/80/928256180.db2.gz ZHYUJHZXDVCQPA-AWEZNQCLSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)CCCCCC)CC1 ZINC001198027250 928269907 /nfs/dbraw/zinc/26/99/07/928269907.db2.gz OJZDSPMNDXWWJW-UHFFFAOYSA-N 1 1 280.456 3.457 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC[C@@H]([N@@H+](C)CC2CCC2)C1 ZINC001480733772 937235900 /nfs/dbraw/zinc/23/59/00/937235900.db2.gz SMEYLLNRAVUFOI-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)CCC)C1 ZINC001480724058 937236089 /nfs/dbraw/zinc/23/60/89/937236089.db2.gz YFMDNCQNGUUMMS-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[N@H+](C[C@H](C)CC)[C@@H]1C ZINC001489266991 928320421 /nfs/dbraw/zinc/32/04/21/928320421.db2.gz AXXMCSGYUBRLPR-KFWWJZLASA-N 1 1 280.456 3.214 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@](C)(F)CCCC)[C@H]1C ZINC001489274474 928322688 /nfs/dbraw/zinc/32/26/88/928322688.db2.gz BNGGTSSQSHXGMD-YCPHGPKFSA-N 1 1 284.419 3.060 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)CC)CC(C)(C)C1 ZINC001489342509 928329243 /nfs/dbraw/zinc/32/92/43/928329243.db2.gz AWOSHKJEBCWHFV-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCCNC(=O)[C@]1(C)CC=CCC1 ZINC001490195538 928336133 /nfs/dbraw/zinc/33/61/33/928336133.db2.gz NQKADLDDNAPXBB-QGZVFWFLSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCCC[N@H+](C)CCCNC(=O)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001490283868 928341571 /nfs/dbraw/zinc/34/15/71/928341571.db2.gz XBOHMGWMGWPASM-FVQHAEBGSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCCNC(=O)[C@@]1(C)C=CCC1 ZINC001490342225 928349923 /nfs/dbraw/zinc/34/99/23/928349923.db2.gz IFJODLFPFJNOMZ-KRWDZBQOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)C[N@@H+](CCCNC(=O)c1cc(C)cs1)C1CC1 ZINC001490373547 928350261 /nfs/dbraw/zinc/35/02/61/928350261.db2.gz RMNCZFNSTSJCJS-UHFFFAOYSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(Cl)C[N@@H+](CCCNC(=O)[C@@]1(C)C=CCC1)C1CC1 ZINC001490383332 928352106 /nfs/dbraw/zinc/35/21/06/928352106.db2.gz NIBZDGPKRZMIMX-INIZCTEOSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@H+](CCCNC(=O)[C@@]1(C)C=CCC1)C1CC1 ZINC001490383332 928352115 /nfs/dbraw/zinc/35/21/15/928352115.db2.gz NIBZDGPKRZMIMX-INIZCTEOSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CCC[N@@H+](CCCNC(=O)C1=CCCCCC1)C1CC1 ZINC001490370817 928353260 /nfs/dbraw/zinc/35/32/60/928353260.db2.gz HRLKPGWDYOIRPB-UHFFFAOYSA-N 1 1 290.451 3.424 20 30 CGEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H](CCCCC)C(C)C)C1 ZINC001490454490 928363206 /nfs/dbraw/zinc/36/32/06/928363206.db2.gz GMCRNJRVQFXSJZ-DLBZAZTESA-N 1 1 292.467 3.053 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](CCCCC)C(C)C)C1 ZINC001490454490 928363221 /nfs/dbraw/zinc/36/32/21/928363221.db2.gz GMCRNJRVQFXSJZ-DLBZAZTESA-N 1 1 292.467 3.053 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)C2CC(C)C2)C1 ZINC001490529830 928364008 /nfs/dbraw/zinc/36/40/08/928364008.db2.gz GRXNPGOYSMTUCA-GPANFISMSA-N 1 1 280.456 3.193 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1CCC[N@@H+](CC(=C)Cl)CC1 ZINC001327148280 928621834 /nfs/dbraw/zinc/62/18/34/928621834.db2.gz SATFAIDHLKTBCZ-HUUCEWRRSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C(=C)C)C(C)(C)C1 ZINC001328079685 928783624 /nfs/dbraw/zinc/78/36/24/928783624.db2.gz FFAOPYWEFGKERF-HNNXBMFYSA-N 1 1 292.467 3.382 20 30 CGEDMO C[C@H]1CC(=[NH+]n2cc(Br)cn2)C[C@@H](C)C1 ZINC000752746899 928828693 /nfs/dbraw/zinc/82/86/93/928828693.db2.gz LULJAXSVWRWIJV-DTORHVGOSA-N 1 1 270.174 3.306 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](CNC(=O)CCC2CCCCC2)C1 ZINC001491128486 928832924 /nfs/dbraw/zinc/83/29/24/928832924.db2.gz LNRBVWFDHQLBFB-KRWDZBQOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](C/C=C\Cl)C1 ZINC001491118015 928833112 /nfs/dbraw/zinc/83/31/12/928833112.db2.gz WHXYCJLCEHZWAC-QPBFKRLHSA-N 1 1 298.858 3.169 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](CNC(=O)C2(CC)CCC2)C1 ZINC001491116219 928834097 /nfs/dbraw/zinc/83/40/97/928834097.db2.gz IZUZRDLGGKMEKJ-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)C1(CCCC)CC1 ZINC001491223846 928845327 /nfs/dbraw/zinc/84/53/27/928845327.db2.gz FOAXDMOOBVDHDW-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO CCCCCCCC[C@H](C)C(=O)NC[C@H]1CC[N@H+]1C ZINC001439522508 937318597 /nfs/dbraw/zinc/31/85/97/937318597.db2.gz CJHZJTCLZAWMFW-LSDHHAIUSA-N 1 1 268.445 3.193 20 30 CGEDMO C=CC[C@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001453351606 937401984 /nfs/dbraw/zinc/40/19/84/937401984.db2.gz YWMDBDQSPZMZKT-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001454585035 937409857 /nfs/dbraw/zinc/40/98/57/937409857.db2.gz UWBJPOKTKCWQPR-INIZCTEOSA-N 1 1 288.435 3.398 20 30 CGEDMO C#CC[N@H+](Cc1cccc(C(=O)OC(C)(C)C)c1)CC1CC1 ZINC001459773656 937499702 /nfs/dbraw/zinc/49/97/02/937499702.db2.gz GUVPEWXTLBYIAR-UHFFFAOYSA-N 1 1 299.414 3.487 20 30 CGEDMO C=CCCCCC[N@H+](CC(=O)OCC)C1CCC1 ZINC001459909343 937505786 /nfs/dbraw/zinc/50/57/86/937505786.db2.gz JXEGOQWZVOQZBT-UHFFFAOYSA-N 1 1 253.386 3.150 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)Cc1cc(Cl)ccc1F ZINC001460029784 937511904 /nfs/dbraw/zinc/51/19/04/937511904.db2.gz CEMODZAIJXHLPC-UHFFFAOYSA-N 1 1 284.806 3.419 20 30 CGEDMO C#CC[N@H+](CCOc1cc(Cl)cc(Cl)c1)C1CC1 ZINC001460118211 937516123 /nfs/dbraw/zinc/51/61/23/937516123.db2.gz JBVOWNHGBQAVKT-UHFFFAOYSA-N 1 1 284.186 3.470 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001460650540 937537993 /nfs/dbraw/zinc/53/79/93/937537993.db2.gz LHMIHCPCCOFIBH-CHWSQXEVSA-N 1 1 253.386 3.005 20 30 CGEDMO C#CC[N@H+](CC1(C#N)CC1)[C@@H]1CCCc2ccccc21 ZINC001460836567 937548083 /nfs/dbraw/zinc/54/80/83/937548083.db2.gz NTYNQSNDWOIYAN-QGZVFWFLSA-N 1 1 264.372 3.303 20 30 CGEDMO C#CC[N@@H+](CC1(C#N)CC1)[C@@H]1CCCc2ccccc21 ZINC001460836567 937548085 /nfs/dbraw/zinc/54/80/85/937548085.db2.gz NTYNQSNDWOIYAN-QGZVFWFLSA-N 1 1 264.372 3.303 20 30 CGEDMO COc1cc(C[N@H+](C)[C@@H](C)c2ccc(C#N)cc2)sn1 ZINC001460835120 937548202 /nfs/dbraw/zinc/54/82/02/937548202.db2.gz OQVZYNFFGIJJOW-NSHDSACASA-N 1 1 287.388 3.216 20 30 CGEDMO COc1cc(C[N@@H+](C)[C@@H](C)c2ccc(C#N)cc2)sn1 ZINC001460835120 937548205 /nfs/dbraw/zinc/54/82/05/937548205.db2.gz OQVZYNFFGIJJOW-NSHDSACASA-N 1 1 287.388 3.216 20 30 CGEDMO COC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001139529096 931953022 /nfs/dbraw/zinc/95/30/22/931953022.db2.gz JQAIAQJEMSRDNX-HNNXBMFYSA-N 1 1 276.355 3.087 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)c(F)c1)C[C@H]1Cc2ccccc2O1 ZINC001139531605 931953904 /nfs/dbraw/zinc/95/39/04/931953904.db2.gz JZIACGUAPUWTBK-MRXNPFEDSA-N 1 1 296.345 3.133 20 30 CGEDMO C#C[C@H]1CCCC[N@@H+]1Cc1cccc(OC(C)C)c1 ZINC001460911914 937552789 /nfs/dbraw/zinc/55/27/89/937552789.db2.gz AXUANYSJLSZUEJ-INIZCTEOSA-N 1 1 257.377 3.462 20 30 CGEDMO N#CCC[C@H](C#N)C[N@H+]1CCC[C@@H](C2CCCC2)C1 ZINC001460954134 937555368 /nfs/dbraw/zinc/55/53/68/937555368.db2.gz YHGLGNPTKTVNMF-GDBMZVCRSA-N 1 1 259.397 3.332 20 30 CGEDMO Cc1cn2cc(Nc3cccc(C#N)c3F)ccc2[nH+]1 ZINC001216414548 932019881 /nfs/dbraw/zinc/01/98/81/932019881.db2.gz VGBWKNKJALCJSF-UHFFFAOYSA-N 1 1 266.279 3.397 20 30 CGEDMO C[C@@H](C#C[Si](C)(C)C)Oc1ccc2c(c1)CC[N@H+](C)C2 ZINC001228945863 932056725 /nfs/dbraw/zinc/05/67/25/932056725.db2.gz WQEJXMDLDLGKQJ-AWEZNQCLSA-N 1 1 287.479 3.323 20 30 CGEDMO C=CCOc1cccc(CNCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC001461045152 937561580 /nfs/dbraw/zinc/56/15/80/937561580.db2.gz ORBYWTWYVCBYST-MRXNPFEDSA-N 1 1 288.435 3.073 20 30 CGEDMO C=CCOc1cccc(CNCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001461045152 937561583 /nfs/dbraw/zinc/56/15/83/937561583.db2.gz ORBYWTWYVCBYST-MRXNPFEDSA-N 1 1 288.435 3.073 20 30 CGEDMO C=C[C@@H](Oc1ccc(C(=[NH2+])NO)c(F)c1)c1ccccc1 ZINC001229079858 932089090 /nfs/dbraw/zinc/08/90/90/932089090.db2.gz BTILZBAZUYLBSB-OAHLLOKOSA-N 1 1 286.306 3.436 20 30 CGEDMO CC[N@H+]1CCC[C@H](Oc2cc(C#N)ccc2Cl)C1 ZINC001229251008 932124029 /nfs/dbraw/zinc/12/40/29/932124029.db2.gz SGTNRFUAWNTCFG-LBPRGKRZSA-N 1 1 264.756 3.075 20 30 CGEDMO CC[N@H+]1CCC[C@H](Oc2ccc(C3(C#N)CC3)cc2)C1 ZINC001229944232 932506816 /nfs/dbraw/zinc/50/68/16/932506816.db2.gz MBTBMZOEQWHCEY-INIZCTEOSA-N 1 1 270.376 3.105 20 30 CGEDMO CCCCCCCCC(=O)NC1CC[NH+](CCF)CC1 ZINC001230115405 932534853 /nfs/dbraw/zinc/53/48/53/932534853.db2.gz VJMPISRCPQMKBC-UHFFFAOYSA-N 1 1 286.435 3.287 20 30 CGEDMO N#CC[C@H](Oc1ccc2[nH+]c(N)[nH]c2c1)c1ccccc1 ZINC001230517113 932583101 /nfs/dbraw/zinc/58/31/01/932583101.db2.gz WJOLCHGZEBEJOA-HNNXBMFYSA-N 1 1 278.315 3.179 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)/C=C(/C)CC)CC1 ZINC001230557891 932587680 /nfs/dbraw/zinc/58/76/80/932587680.db2.gz SUCFFXCFLVQJNN-NHRMXYMRSA-N 1 1 290.451 3.232 20 30 CGEDMO CC[N@H+]1CC[C@@H](Oc2c(C#N)cccc2C(C)(C)C)C1 ZINC001230632962 932600850 /nfs/dbraw/zinc/60/08/50/932600850.db2.gz OPJIYFLENQRWLJ-CQSZACIVSA-N 1 1 272.392 3.329 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(Cl)o1 ZINC001230759289 932620875 /nfs/dbraw/zinc/62/08/75/932620875.db2.gz QNZJWHZMJANKNH-LBPRGKRZSA-N 1 1 296.798 3.046 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CCCC ZINC001230797780 932626153 /nfs/dbraw/zinc/62/61/53/932626153.db2.gz JQJKNMXHBCODTE-CABCVRRESA-N 1 1 266.429 3.064 20 30 CGEDMO C=CCc1cccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001231015495 932658729 /nfs/dbraw/zinc/65/87/29/932658729.db2.gz PJZJIETZAKUOAB-QLPKVWCKSA-N 1 1 257.377 3.419 20 30 CGEDMO C[C@]1(F)CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC001232842167 932683326 /nfs/dbraw/zinc/68/33/26/932683326.db2.gz MPWZHAONXPOBNA-ZDUSSCGKSA-N 1 1 252.358 3.334 20 30 CGEDMO CC[N@@H+](Cc1cc(C#N)ccc1N(C)C)C1CCCC1 ZINC001462220576 937626169 /nfs/dbraw/zinc/62/61/69/937626169.db2.gz IBUNGMPRZPCKOV-UHFFFAOYSA-N 1 1 271.408 3.389 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@]1(C)CC=C(C)CC1 ZINC001316608932 932748332 /nfs/dbraw/zinc/74/83/32/932748332.db2.gz IOSRARCGYHDLTG-FUHWJXTLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H](C)CCC ZINC001492142651 932806841 /nfs/dbraw/zinc/80/68/41/932806841.db2.gz ABOHYAXZQWDPPO-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)c1cc(F)ccc1C ZINC001492358391 932815095 /nfs/dbraw/zinc/81/50/95/932815095.db2.gz VSKWKPASBHFTOP-CQSZACIVSA-N 1 1 292.398 3.150 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)CCNC(=O)c1cc[nH]c1C(C)C ZINC001492381926 932815337 /nfs/dbraw/zinc/81/53/37/932815337.db2.gz WWNXVCKASKIUJL-CQSZACIVSA-N 1 1 291.439 3.154 20 30 CGEDMO C=CCCCC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CC(=C)Cl)C1 ZINC001317211142 932819107 /nfs/dbraw/zinc/81/91/07/932819107.db2.gz WTVCTZQIFPETLC-LSDHHAIUSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@H]([N@@H+](C)C/C=C\Cl)C1 ZINC001317380141 932862122 /nfs/dbraw/zinc/86/21/22/932862122.db2.gz ZHUWUGKHZFNGTQ-SLLMGYAOSA-N 1 1 298.858 3.264 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccccc2OCC(F)F)C1 ZINC001462382710 937636513 /nfs/dbraw/zinc/63/65/13/937636513.db2.gz GWAWZLNOZBWKRZ-ZDUSSCGKSA-N 1 1 279.330 3.176 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC001462457797 937643239 /nfs/dbraw/zinc/64/32/39/937643239.db2.gz AMZICFWNQGQCFK-MRXNPFEDSA-N 1 1 271.404 3.452 20 30 CGEDMO CC[N@H+](Cc1ccc(C)cc1)C[C@@H](O)c1cccc(C#N)c1 ZINC001307433234 932950750 /nfs/dbraw/zinc/95/07/50/932950750.db2.gz HXJDKONPOKEYPJ-LJQANCHMSA-N 1 1 294.398 3.422 20 30 CGEDMO C=CC[C@H](C(=O)OC)[N@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC001307464484 932956419 /nfs/dbraw/zinc/95/64/19/932956419.db2.gz ICOYOIFNCFBODP-AEFFLSMTSA-N 1 1 287.403 3.158 20 30 CGEDMO C=CC[C@H](C)[N@@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC001307468564 932956991 /nfs/dbraw/zinc/95/69/91/932956991.db2.gz AUWBJIBHJFLHDN-SWLSCSKDSA-N 1 1 292.810 3.342 20 30 CGEDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cc1cc(C#N)ccn1 ZINC001307518262 932965602 /nfs/dbraw/zinc/96/56/02/932965602.db2.gz CAVQVLAHQVPEGT-QAPCUYQASA-N 1 1 291.398 3.406 20 30 CGEDMO C=C(C)C[C@H]([NH2+][C@@H]1CCC[C@H](CC)CC1)C(=O)OC ZINC001462506506 937646052 /nfs/dbraw/zinc/64/60/52/937646052.db2.gz PZEGUMNLCMASFW-ZNMIVQPWSA-N 1 1 267.413 3.443 20 30 CGEDMO C=C(CC)C[N@@H+]1[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001307706684 932989673 /nfs/dbraw/zinc/98/96/73/932989673.db2.gz RXTJQJOSWBTOGK-OKILXGFUSA-N 1 1 282.428 3.282 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)Cc1c(C)cccc1C ZINC001307728650 932993285 /nfs/dbraw/zinc/99/32/85/932993285.db2.gz ORRPXPMWORFJCD-UHFFFAOYSA-N 1 1 260.425 3.243 20 30 CGEDMO C=CC[N@@H+](C)CCN(CC)Cc1c(C)cccc1C ZINC001307728650 932993288 /nfs/dbraw/zinc/99/32/88/932993288.db2.gz ORRPXPMWORFJCD-UHFFFAOYSA-N 1 1 260.425 3.243 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)Cc1c(C)cccc1C ZINC001307728650 932993292 /nfs/dbraw/zinc/99/32/92/932993292.db2.gz ORRPXPMWORFJCD-UHFFFAOYSA-N 1 1 260.425 3.243 20 30 CGEDMO C=C(C)C[C@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)C(=O)OCC ZINC001462551158 937649631 /nfs/dbraw/zinc/64/96/31/937649631.db2.gz UXDGXHUFVFVMAN-YJNKXOJESA-N 1 1 267.413 3.299 20 30 CGEDMO C=CCCCC[N@H+]1CC2(CCC2)[C@](F)(C(=O)OCC)C1 ZINC001307924724 933022294 /nfs/dbraw/zinc/02/22/94/933022294.db2.gz KOUWANKYOPKHBC-MRXNPFEDSA-N 1 1 283.387 3.100 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C1 ZINC001308071713 933045155 /nfs/dbraw/zinc/04/51/55/933045155.db2.gz AUDYTRAHJGFYNK-OLZOCXBDSA-N 1 1 282.428 3.186 20 30 CGEDMO Cc1ccc(CN2CC[N@H+](C)C[C@H]2CC(C)C)cc1C#N ZINC001308099243 933048364 /nfs/dbraw/zinc/04/83/64/933048364.db2.gz DMZDHWKQUVBXDV-GOSISDBHSA-N 1 1 285.435 3.029 20 30 CGEDMO Cc1ccc(C[N@H+]2CCN(C)C[C@H]2CC(C)C)cc1C#N ZINC001308099243 933048368 /nfs/dbraw/zinc/04/83/68/933048368.db2.gz DMZDHWKQUVBXDV-GOSISDBHSA-N 1 1 285.435 3.029 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCN(C)C[C@H]2CC(C)C)cc1C#N ZINC001308099243 933048372 /nfs/dbraw/zinc/04/83/72/933048372.db2.gz DMZDHWKQUVBXDV-GOSISDBHSA-N 1 1 285.435 3.029 20 30 CGEDMO CCC#C[C@@H](C)[N@H+](C)CCc1ccc(OCC)cc1 ZINC001308143151 933056314 /nfs/dbraw/zinc/05/63/14/933056314.db2.gz RWLYRJPTHQLOJY-OAHLLOKOSA-N 1 1 259.393 3.362 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(F)ccc1N(C)C ZINC001308652748 933151246 /nfs/dbraw/zinc/15/12/46/933151246.db2.gz DGJSBXYOMXLFJR-UHFFFAOYSA-N 1 1 250.361 3.290 20 30 CGEDMO CC[N@H+]1CCC[C@H](Nc2ccc(OC(C)C)c(C#N)c2)C1 ZINC001308682387 933157545 /nfs/dbraw/zinc/15/75/45/933157545.db2.gz SMXBZBMJECZGSG-INIZCTEOSA-N 1 1 287.407 3.242 20 30 CGEDMO Cc1nc2ccccc2nc1C[NH2+]Cc1ccc(C#N)s1 ZINC001308825580 933184379 /nfs/dbraw/zinc/18/43/79/933184379.db2.gz RBCRXUGWQXOSBX-UHFFFAOYSA-N 1 1 294.383 3.161 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1c(C)cc(OC)cc1O ZINC001308968502 933216267 /nfs/dbraw/zinc/21/62/67/933216267.db2.gz GMEPTVGLKXBTEP-UHFFFAOYSA-N 1 1 263.381 3.497 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)c1ccc(C)cc1F ZINC001317487452 933254802 /nfs/dbraw/zinc/25/48/02/933254802.db2.gz YELVONHWDJIACY-UHFFFAOYSA-N 1 1 292.398 3.152 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](CCC)CC(C)C ZINC001317513266 933317102 /nfs/dbraw/zinc/31/71/02/933317102.db2.gz JEXDTVLFJWDOLJ-DLBZAZTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](C)C1CCC1 ZINC001316802139 933482331 /nfs/dbraw/zinc/48/23/31/933482331.db2.gz FHJAXLPXYARDBK-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2C)CC(C)(C)C1 ZINC001316810209 933485969 /nfs/dbraw/zinc/48/59/69/933485969.db2.gz HUDSNRVTKPOJRU-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCCNC(=O)c1occc1Cl ZINC001316900698 933491752 /nfs/dbraw/zinc/49/17/52/933491752.db2.gz MTVWAEQIPBDGCI-UHFFFAOYSA-N 1 1 298.814 3.341 20 30 CGEDMO C=CCC1(C(=O)NCCC[N@H+](CC)C2CC2)CCCC1 ZINC001316928224 933497791 /nfs/dbraw/zinc/49/77/91/933497791.db2.gz DOVDCITWFIBYDV-UHFFFAOYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC(CC)CC ZINC001317050093 933521385 /nfs/dbraw/zinc/52/13/85/933521385.db2.gz NRDIKOJFSFZHMD-CALCHBBNSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CCC[N@H+](CCCC)C2)CCC1 ZINC001317134529 933537555 /nfs/dbraw/zinc/53/75/55/933537555.db2.gz ARGFSUMOEZLTST-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)CCCC[C@H](C)CC)C1 ZINC001317133311 933537743 /nfs/dbraw/zinc/53/77/43/933537743.db2.gz YLRIZGKSGMTFET-IAGOWNOFSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)F ZINC001317166139 933543839 /nfs/dbraw/zinc/54/38/39/933543839.db2.gz KSPGKTBNOKVKSK-HNNXBMFYSA-N 1 1 298.446 3.452 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)C[C@H]1C=CCCC1 ZINC001317171319 933544214 /nfs/dbraw/zinc/54/42/14/933544214.db2.gz ADZGUSGAUKNAPX-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)CCCC2CC2)C1 ZINC001317378776 933582248 /nfs/dbraw/zinc/58/22/48/933582248.db2.gz JLDWGYVFOJKXPM-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H](C)C1CCC1 ZINC001317424382 933592211 /nfs/dbraw/zinc/59/22/11/933592211.db2.gz QHJKVRKNPPZLCE-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+](C)CCNC(=O)c1ccc(CC(C)C)s1 ZINC001317449527 933593502 /nfs/dbraw/zinc/59/35/02/933593502.db2.gz CQTFKFQVRNOWGZ-UHFFFAOYSA-N 1 1 294.464 3.184 20 30 CGEDMO C=C(C)C[N@@H+](C)CCNC(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC001317453789 933594542 /nfs/dbraw/zinc/59/45/42/933594542.db2.gz VPMRBSCLSUIHAE-QAQDUYKDSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CC)CCNC(=O)c1ccc(C)s1 ZINC001317476742 933599069 /nfs/dbraw/zinc/59/90/69/933599069.db2.gz XLQONZIYJFXZFN-CYBMUJFWSA-N 1 1 294.464 3.463 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)C1CCC=CCC1 ZINC001317470246 933599858 /nfs/dbraw/zinc/59/98/58/933599858.db2.gz NSMDFBIMJKEOPQ-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@H+](C)CCNC(=O)c1ccc([C@@H](C)CC)cc1 ZINC001317471495 933600336 /nfs/dbraw/zinc/60/03/36/933600336.db2.gz KIQPFPGYMKPWCN-AWEZNQCLSA-N 1 1 274.408 3.048 20 30 CGEDMO C=CCCC[N@H+](CC)CCNC(=O)[C@@H]1CCC[C@H](C)C1 ZINC001317484112 933602873 /nfs/dbraw/zinc/60/28/73/933602873.db2.gz OACFCCQBBNGPCG-JKSUJKDBSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)C1(C)CCCC1 ZINC001317507080 933608142 /nfs/dbraw/zinc/60/81/42/933608142.db2.gz YOOUCXIRLLYJEA-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)C1(C)CCC(C)CC1)C1CC1 ZINC001317561943 933623074 /nfs/dbraw/zinc/62/30/74/933623074.db2.gz QSTYEZWTOWZVPD-UHFFFAOYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)C[C@H](C=C)CC)C1 ZINC001317762549 933643718 /nfs/dbraw/zinc/64/37/18/933643718.db2.gz AZKLMFVPYDUBBJ-HZPDHXFCSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CCC)C(=O)CCC2CC2)C1 ZINC001317754087 933644493 /nfs/dbraw/zinc/64/44/93/933644493.db2.gz OPMALJWAISWAQM-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC=CCCC2)C1 ZINC001317786733 933649494 /nfs/dbraw/zinc/64/94/94/933649494.db2.gz BTMJITTWWAQPDE-SJORKVTESA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001317794379 933652883 /nfs/dbraw/zinc/65/28/83/933652883.db2.gz BCEPUSWHLQKTKB-INIZCTEOSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)CC(C)(C)C)C1 ZINC001317827671 933656269 /nfs/dbraw/zinc/65/62/69/933656269.db2.gz XYBMWXPAFNGSRQ-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@@H](C[N@@H+](C)CCCCCF)C1 ZINC001317848872 933658514 /nfs/dbraw/zinc/65/85/14/933658514.db2.gz PXHCHVOXDAKLSF-HNNXBMFYSA-N 1 1 298.446 3.119 20 30 CGEDMO C#CCC[N@H+](C)CC1CCN(C(=O)[C@H](C)CCCC)CC1 ZINC001317872204 933661645 /nfs/dbraw/zinc/66/16/45/933661645.db2.gz LTSRBVXYWYXXQW-MRXNPFEDSA-N 1 1 292.467 3.006 20 30 CGEDMO C#CCC[N@H+](C)CC1CCN(C(=O)CC[C@H](C)CC)CC1 ZINC001317883239 933663269 /nfs/dbraw/zinc/66/32/69/933663269.db2.gz ZIRFCVLBTPUAAI-MRXNPFEDSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)C(C)(C)C(C)C)C1 ZINC001318334142 933711120 /nfs/dbraw/zinc/71/11/20/933711120.db2.gz REZODYBJAWKOGL-LSDHHAIUSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2occc2C)C1 ZINC001318379604 933716218 /nfs/dbraw/zinc/71/62/18/933716218.db2.gz ICPQQDYRBHDKOE-LSDHHAIUSA-N 1 1 290.407 3.089 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2C)C1 ZINC001318380941 933716797 /nfs/dbraw/zinc/71/67/97/933716797.db2.gz NRDKEABDJYAZMJ-MRXNPFEDSA-N 1 1 286.419 3.108 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)CCC(C)C)C1 ZINC001318383280 933718907 /nfs/dbraw/zinc/71/89/07/933718907.db2.gz ZUYYPSJBXOWLAX-CVEARBPZSA-N 1 1 280.456 3.310 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)C2(C)CC=CC2)C1 ZINC001318425504 933723666 /nfs/dbraw/zinc/72/36/66/933723666.db2.gz QATRJDVGSXIKGU-HOTGVXAUSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCC(CC=C)C(=O)N(CC)[C@H]1CC[N@H+](CCC)C1 ZINC001318471471 933732154 /nfs/dbraw/zinc/73/21/54/933732154.db2.gz RBMWCGPMGHVDLL-INIZCTEOSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCn1cnn(C[N@H+]2CCCC[C@H]2[C@H](C)CC)c1=S ZINC001318638299 933757803 /nfs/dbraw/zinc/75/78/03/933757803.db2.gz YIIDWANJGHXHBQ-KGLIPLIRSA-N 1 1 294.468 3.458 20 30 CGEDMO C=CCn1cnn(C[N@@H+]2CCCC[C@H]2[C@H](C)CC)c1=S ZINC001318638299 933757812 /nfs/dbraw/zinc/75/78/12/933757812.db2.gz YIIDWANJGHXHBQ-KGLIPLIRSA-N 1 1 294.468 3.458 20 30 CGEDMO CC[N@H+]1CCC(N=Nc2ccccc2Cl)[C@@H](C)C1 ZINC001318672225 933762120 /nfs/dbraw/zinc/76/21/20/933762120.db2.gz UFOLLGAHBHHPTA-NSHDSACASA-N 1 1 265.788 3.470 20 30 CGEDMO C=CCn1cnn(C[N@H+]2CCC[C@@H](C(C)C)CC2)c1=S ZINC001319007035 933808136 /nfs/dbraw/zinc/80/81/36/933808136.db2.gz GJUVZDAQTPWNBN-CQSZACIVSA-N 1 1 294.468 3.316 20 30 CGEDMO C=CCn1cnn(C[N@@H+]2CCC[C@@H](C(C)C)CC2)c1=S ZINC001319007035 933808140 /nfs/dbraw/zinc/80/81/40/933808140.db2.gz GJUVZDAQTPWNBN-CQSZACIVSA-N 1 1 294.468 3.316 20 30 CGEDMO CC(C)(C)O[NH+]=Cc1c(Cl)cccc1N1CCOCC1 ZINC001319576805 933895055 /nfs/dbraw/zinc/89/50/55/933895055.db2.gz IGNJVFJDQJBLQA-UHFFFAOYSA-N 1 1 296.798 3.326 20 30 CGEDMO C#CC[N@H+](Cc1cc2cc(F)ccc2o1)CC1CC1 ZINC001319727235 933923404 /nfs/dbraw/zinc/92/34/04/933923404.db2.gz NWMFQFRTSVTXEC-UHFFFAOYSA-N 1 1 257.308 3.417 20 30 CGEDMO C[C@H](C#N)C[N@H+](C)CCc1ccc(OC(F)(F)F)cc1 ZINC001319791837 933932793 /nfs/dbraw/zinc/93/27/93/933932793.db2.gz DYAIJUKVSDTGBH-LLVKDONJSA-N 1 1 286.297 3.219 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C)CCc1ccc(OC(F)(F)F)cc1 ZINC001319791837 933932800 /nfs/dbraw/zinc/93/28/00/933932800.db2.gz DYAIJUKVSDTGBH-LLVKDONJSA-N 1 1 286.297 3.219 20 30 CGEDMO C=CCOc1cccc(CN[C@@H]2CCCC[C@@H]2[NH+](C)C)c1 ZINC001319833017 933940819 /nfs/dbraw/zinc/94/08/19/933940819.db2.gz GZFAEYHOVAYLBE-MSOLQXFVSA-N 1 1 288.435 3.214 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)c1c(C)oc(C)c1C ZINC001320018938 933978002 /nfs/dbraw/zinc/97/80/02/933978002.db2.gz WYVXYLNKXILYMP-UHFFFAOYSA-N 1 1 292.423 3.175 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC001320067451 933992861 /nfs/dbraw/zinc/99/28/61/933992861.db2.gz RHJDRLACZBXJLP-DLBZAZTESA-N 1 1 292.467 3.169 20 30 CGEDMO C[C@H](N[C@@H]1CCCC[C@H]1[NH+](C)C)c1ccc(C#N)cc1 ZINC001320070439 933993570 /nfs/dbraw/zinc/99/35/70/933993570.db2.gz JPIGNOVFVKTPIS-IAOVAPTHSA-N 1 1 271.408 3.082 20 30 CGEDMO C=CCCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CC(CC)CC)C1 ZINC001320097482 933999910 /nfs/dbraw/zinc/99/99/10/933999910.db2.gz MKHFAVBNLDMQNI-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO CCCCCCCCNC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC001469355345 937738691 /nfs/dbraw/zinc/73/86/91/937738691.db2.gz SUBPXZSQMLFRAD-LSDHHAIUSA-N 1 1 295.471 3.271 20 30 CGEDMO C#CCOCC[N@H+](C)Cc1ccc(-c2ccsc2)cc1 ZINC001321205400 934163036 /nfs/dbraw/zinc/16/30/36/934163036.db2.gz ZAVNYHIUIWFUEE-UHFFFAOYSA-N 1 1 285.412 3.497 20 30 CGEDMO CC1(C)C[N@@H+](CCCC2(C#N)CCOCC2)C1(C)C ZINC001321652632 934201366 /nfs/dbraw/zinc/20/13/66/934201366.db2.gz KSOIHILYLURABL-UHFFFAOYSA-N 1 1 264.413 3.207 20 30 CGEDMO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC001470388996 937752130 /nfs/dbraw/zinc/75/21/30/937752130.db2.gz QREWCZQLOQOUCW-XHSDSOJGSA-N 1 1 295.471 3.149 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)c1c(C)cccc1C ZINC001322248617 934262325 /nfs/dbraw/zinc/26/23/25/934262325.db2.gz MODGORLMEATQNJ-INIZCTEOSA-N 1 1 288.435 3.320 20 30 CGEDMO C=CC[N@H+](C)C[C@@H](C)NC(=O)Cc1cccc2ccccc21 ZINC001322285558 934271093 /nfs/dbraw/zinc/27/10/93/934271093.db2.gz NRXSLNPZTGKRIT-OAHLLOKOSA-N 1 1 296.414 3.005 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001322307972 934276220 /nfs/dbraw/zinc/27/62/20/934276220.db2.gz URBXLXNHCWTIGY-RWBZWWBESA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]1CNC(=O)C1=CCCCCC1 ZINC001323213483 934374513 /nfs/dbraw/zinc/37/45/13/934374513.db2.gz CVGDYXVOADBELJ-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C#CCC[N@H+](CCNC(=O)CC(C)C)C1CCCCCC1 ZINC001323704979 934420690 /nfs/dbraw/zinc/42/06/90/934420690.db2.gz MIQFRMWSRFSNKU-UHFFFAOYSA-N 1 1 292.467 3.197 20 30 CGEDMO C#CC[N@@H+](Cc1conc1Cc1ccccc1)CC1CC1 ZINC001324338136 934489657 /nfs/dbraw/zinc/48/96/57/934489657.db2.gz ZMIGUXZFRWEHCB-UHFFFAOYSA-N 1 1 280.371 3.111 20 30 CGEDMO C#CC[N@H+](Cc1conc1Cc1ccccc1)CC1CC1 ZINC001324338136 934489662 /nfs/dbraw/zinc/48/96/62/934489662.db2.gz ZMIGUXZFRWEHCB-UHFFFAOYSA-N 1 1 280.371 3.111 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(=C)C ZINC001324537629 934521387 /nfs/dbraw/zinc/52/13/87/934521387.db2.gz KVVVSACNVGIUSQ-ZACQAIPSSA-N 1 1 290.451 3.230 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001324641081 934537961 /nfs/dbraw/zinc/53/79/61/934537961.db2.gz IKOGVGOPCHJJEB-BFYDXBDKSA-N 1 1 280.456 3.193 20 30 CGEDMO CCCCCCCCC[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC001473147142 937794505 /nfs/dbraw/zinc/79/45/05/937794505.db2.gz BHCZHYVLSVDIFS-GJZGRUSLSA-N 1 1 268.445 3.323 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCCC[C@@H]1[C@H](O)CC ZINC001473181945 937795695 /nfs/dbraw/zinc/79/56/95/937795695.db2.gz QZJGIDJXNBLBDH-HZPDHXFCSA-N 1 1 251.414 3.196 20 30 CGEDMO C=CCOCC[N@H+](C)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC001473199023 937797155 /nfs/dbraw/zinc/79/71/55/937797155.db2.gz ANOUYSKHPIPSAZ-CVEARBPZSA-N 1 1 281.440 3.249 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2C[C@H](C)CC(C)(C)C2)cc1 ZINC001473303767 937801062 /nfs/dbraw/zinc/80/10/62/937801062.db2.gz DBFYAYXRSSNMAM-OAHLLOKOSA-N 1 1 298.430 3.365 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](C)C[C@@H]1CCCC[C@H]1O ZINC001473325948 937801892 /nfs/dbraw/zinc/80/18/92/937801892.db2.gz APUCXZBLMUNXPQ-FUHWJXTLSA-N 1 1 286.419 3.158 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@H]1CN1CCc2ccc(C#N)cc21 ZINC001473349961 937802394 /nfs/dbraw/zinc/80/23/94/937802394.db2.gz SSCCTHMAVIAJBV-KRWDZBQOSA-N 1 1 283.419 3.184 20 30 CGEDMO C[C@H](C#N)C[N@H+](C[C@H](C)COCc1ccccc1)C1CC1 ZINC001473342585 937802643 /nfs/dbraw/zinc/80/26/43/937802643.db2.gz PARNIMOXRNJFBD-CVEARBPZSA-N 1 1 286.419 3.463 20 30 CGEDMO C#CC[N@@H+](CCc1ccc2c(c1)CCO2)Cc1ccccc1 ZINC001473454358 937807830 /nfs/dbraw/zinc/80/78/30/937807830.db2.gz PWJDTJBGBKEWHO-UHFFFAOYSA-N 1 1 291.394 3.299 20 30 CGEDMO Cc1cc(NC(=O)C[C@@H](CC#N)c2ccccc2)cc(C)[nH+]1 ZINC001325021519 934883212 /nfs/dbraw/zinc/88/32/12/934883212.db2.gz WWCFVQOPSHTJLL-MRXNPFEDSA-N 1 1 293.370 3.146 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OC)C1 ZINC001325221621 934895538 /nfs/dbraw/zinc/89/55/38/934895538.db2.gz BFQIJXREOPYRHM-AWEZNQCLSA-N 1 1 281.783 3.126 20 30 CGEDMO C=CCC[N@H+]1[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C ZINC001473578966 937812169 /nfs/dbraw/zinc/81/21/69/937812169.db2.gz VQWIPFMYVXLXKL-MCIONIFRSA-N 1 1 282.428 3.281 20 30 CGEDMO C=CCn1cnn(C[N@@H+]2CC[C@H](C3CCCC3)C2)c1=S ZINC001325770578 934928889 /nfs/dbraw/zinc/92/88/89/934928889.db2.gz JJYZLVPJPZUDBH-AWEZNQCLSA-N 1 1 292.452 3.070 20 30 CGEDMO C=CCn1cnn(C[N@H+]2CC[C@H](C3CCCC3)C2)c1=S ZINC001325770578 934928891 /nfs/dbraw/zinc/92/88/91/934928891.db2.gz JJYZLVPJPZUDBH-AWEZNQCLSA-N 1 1 292.452 3.070 20 30 CGEDMO CCCCCCCC[N@H+]1CCN(CCOC)CC1(C)C ZINC001473604314 937813189 /nfs/dbraw/zinc/81/31/89/937813189.db2.gz JSKCEPWNCJCYQP-UHFFFAOYSA-N 1 1 284.488 3.390 20 30 CGEDMO CCCCCCCCN1CC[N@H+](CCOC)CC1(C)C ZINC001473604314 937813191 /nfs/dbraw/zinc/81/31/91/937813191.db2.gz JSKCEPWNCJCYQP-UHFFFAOYSA-N 1 1 284.488 3.390 20 30 CGEDMO CCCCCCCCN1CC[N@@H+](CCOC)CC1(C)C ZINC001473604314 937813192 /nfs/dbraw/zinc/81/31/92/937813192.db2.gz JSKCEPWNCJCYQP-UHFFFAOYSA-N 1 1 284.488 3.390 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC(CC)CC ZINC001325917426 934939331 /nfs/dbraw/zinc/93/93/31/934939331.db2.gz BOWKVWDQGLOFJT-DLBZAZTESA-N 1 1 292.467 3.454 20 30 CGEDMO CC#CC[N@H+]1CCC[C@H](C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001473609267 937813674 /nfs/dbraw/zinc/81/36/74/937813674.db2.gz MOVPMMIMPXHJTC-GJZGRUSLSA-N 1 1 294.439 3.025 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(CC)cc2)C1 ZINC001473627314 937814806 /nfs/dbraw/zinc/81/48/06/937814806.db2.gz IPHBVDPAAFDESY-MRXNPFEDSA-N 1 1 286.419 3.476 20 30 CGEDMO N#Cc1csc(C[NH+]2CC(c3ccc(F)cc3)C2)c1 ZINC001326786324 935007523 /nfs/dbraw/zinc/00/75/23/935007523.db2.gz IMSQCXRQANDTNQ-UHFFFAOYSA-N 1 1 272.348 3.358 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C)o2)CC1 ZINC001327095765 935028369 /nfs/dbraw/zinc/02/83/69/935028369.db2.gz VLYGIEVYHMGPDU-HNNXBMFYSA-N 1 1 290.407 3.139 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC001327110096 935030950 /nfs/dbraw/zinc/03/09/50/935030950.db2.gz GSXQBOANQXRIBK-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)/C(C)=C/C)CC1 ZINC001327112484 935030991 /nfs/dbraw/zinc/03/09/91/935030991.db2.gz JWKWNVPFISQNNN-IDVSTWMWSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CC=CCC1 ZINC001327188585 935042786 /nfs/dbraw/zinc/04/27/86/935042786.db2.gz MASPWAOHYNYNIF-MRXNPFEDSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCCC[N@H+](C)CCCN(C)C(=O)c1oc(C)cc1C ZINC001327200930 935043981 /nfs/dbraw/zinc/04/39/81/935043981.db2.gz JYAJQMHRSWZFQW-UHFFFAOYSA-N 1 1 292.423 3.257 20 30 CGEDMO C=CCC1(C(=O)N2CCC[C@]3(CC[N@H+](CC)C3)C2)CCC1 ZINC001327528836 935066573 /nfs/dbraw/zinc/06/65/73/935066573.db2.gz CHKDVZVFLQOTDM-QGZVFWFLSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@H+]1Cc2ccc(CNC(=O)C(C)(C)C)cc2C1 ZINC001327696436 935079733 /nfs/dbraw/zinc/07/97/33/935079733.db2.gz SNUNVVFUCXRNOA-UHFFFAOYSA-N 1 1 286.419 3.241 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](C[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC001327946375 935100803 /nfs/dbraw/zinc/10/08/03/935100803.db2.gz OWOQAEAEYRIIQO-WBMJQRKESA-N 1 1 281.346 3.345 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C=C(C)C)C(C)(C)C1 ZINC001328062755 935113742 /nfs/dbraw/zinc/11/37/42/935113742.db2.gz VSIYWFAWKXFPEN-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](NC(=O)C(CC)(CC)CC)C(C)(C)C1 ZINC001328098564 935116515 /nfs/dbraw/zinc/11/65/15/935116515.db2.gz OLLVOYBNFWVUCU-HNNXBMFYSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1CC[N@@H+](CC(=C)C)CC1(C)C ZINC001328103041 935117726 /nfs/dbraw/zinc/11/77/26/935117726.db2.gz QPTLOFFIPOXDBY-YJBOKZPZSA-N 1 1 292.467 3.382 20 30 CGEDMO CC(C)C#CC(=O)N[C@@H]1CC[N@H+](CCCC(C)C)[C@H](C)C1 ZINC001328239972 935126718 /nfs/dbraw/zinc/12/67/18/935126718.db2.gz NQFQCFANAVXLCH-IAGOWNOFSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CCCC(=O)N1CCC(C[N@@H+](CC)CCC(=C)C)CC1 ZINC001328567018 935148368 /nfs/dbraw/zinc/14/83/68/935148368.db2.gz DACVZOCNYSZFAD-UHFFFAOYSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)C1CCCC1 ZINC001328703300 935160684 /nfs/dbraw/zinc/16/06/84/935160684.db2.gz LPVNSWQRFWWPIF-RDJZCZTQSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)C1CCCC1 ZINC001328703301 935161272 /nfs/dbraw/zinc/16/12/72/935161272.db2.gz LPVNSWQRFWWPIF-WBVHZDCISA-N 1 1 292.467 3.454 20 30 CGEDMO C#CCCCC(=O)N1CCC[C@@H]1C[N@H+](C)CC(CC)CC ZINC001328720694 935163410 /nfs/dbraw/zinc/16/34/10/935163410.db2.gz ORRDBNKCKBLGSN-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO CC#CCCCC(=O)N1CCC[C@H]1C[N@H+](C)C[C@H](C)CC ZINC001328752491 935166515 /nfs/dbraw/zinc/16/65/15/935166515.db2.gz IIJXPEQTNGPBGY-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)c1ccc(C)s1 ZINC001329377555 935210418 /nfs/dbraw/zinc/21/04/18/935210418.db2.gz XKJZVOKUOAWPPZ-LBPRGKRZSA-N 1 1 280.437 3.073 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)CNC(=O)C[C@@H](C)c1ccccc1C ZINC001329571072 935228378 /nfs/dbraw/zinc/22/83/78/935228378.db2.gz GIOFEFGCIMYXOO-CVEARBPZSA-N 1 1 288.435 3.111 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[C@H](C)CC ZINC001329937754 935256148 /nfs/dbraw/zinc/25/61/48/935256148.db2.gz NVUHFQIZGKFWEK-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC2(C1)CCC[N@H+](CCCC)C2 ZINC001330501682 935291265 /nfs/dbraw/zinc/29/12/65/935291265.db2.gz IVEFVAXYHJQPEV-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO CC(=[NH+]N[C@H](C)C(F)(F)F)c1c(C)cc(N)cc1C ZINC001330875117 935330332 /nfs/dbraw/zinc/33/03/32/935330332.db2.gz GGQDSBPEIWMXBV-SNVBAGLBSA-N 1 1 273.302 3.150 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)[C@@H](C)CC)CC1 ZINC001330999890 935340856 /nfs/dbraw/zinc/34/08/56/935340856.db2.gz KYTAYENTNIERNZ-GJZGRUSLSA-N 1 1 280.456 3.310 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)C2(CCCC)CC2)CC1 ZINC001331038966 935344502 /nfs/dbraw/zinc/34/45/02/935344502.db2.gz OCJYQMGNWDGHSK-UHFFFAOYSA-N 1 1 292.467 3.456 20 30 CGEDMO CCOc1ccc2c(c1)C[N@H+](C[C@H](C)CCC#N)CC2 ZINC001331041158 935344940 /nfs/dbraw/zinc/34/49/40/935344940.db2.gz QDPATIIAUWDMHQ-CQSZACIVSA-N 1 1 272.392 3.383 20 30 CGEDMO C=CCN(C(=O)c1cnn(-c2cc[nH+]cc2)c1C)C(C)(C)C ZINC001331203630 935357228 /nfs/dbraw/zinc/35/72/28/935357228.db2.gz QSAOMOZWFWSOSF-UHFFFAOYSA-N 1 1 298.390 3.002 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)CCC3CC3)CCC[C@@H]12 ZINC001332082636 935438575 /nfs/dbraw/zinc/43/85/75/935438575.db2.gz PFYPOZDGDKQHNR-AEFFLSMTSA-N 1 1 290.451 3.256 20 30 CGEDMO C=C(C)CCC(=O)N[C@]12CCC[C@@H]1[N@@H+](CC=C(C)C)CC2 ZINC001332094238 935440045 /nfs/dbraw/zinc/44/00/45/935440045.db2.gz ZYYRKKXFXJCSNI-WMZOPIPTSA-N 1 1 290.451 3.422 20 30 CGEDMO C#CCCCC(=O)N[C@H]1CCC[N@@H+](CCC(C)(C)C)[C@H]1C ZINC001332180781 935446171 /nfs/dbraw/zinc/44/61/71/935446171.db2.gz YNYPSGINSBSOSS-HOTGVXAUSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)CC)[C@H]1C ZINC001332198340 935448230 /nfs/dbraw/zinc/44/82/30/935448230.db2.gz JFXFFBZJHNLWGT-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO C#CC[N@H+](C)CCN(C(=O)[C@@H]1CCCC[C@H]1CC)C(C)C ZINC001332736111 935486451 /nfs/dbraw/zinc/48/64/51/935486451.db2.gz WDSRGNLXYYHGOG-IAGOWNOFSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)[C@](C)(CC)CCC)CC1 ZINC001333419309 935534623 /nfs/dbraw/zinc/53/46/23/935534623.db2.gz GKKXOODASMDNES-QGZVFWFLSA-N 1 1 278.440 3.137 20 30 CGEDMO C/C(=C/c1ccccc1)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC001333718120 936058884 /nfs/dbraw/zinc/05/88/84/936058884.db2.gz FOIAWIUECGFVPO-OYZXAGTJSA-N 1 1 283.419 3.008 20 30 CGEDMO CC(C)(C)[C@H]1CC[N@@H+](CC2CCC(C#N)CC2)C[C@H]1O ZINC001333911207 936074605 /nfs/dbraw/zinc/07/46/05/936074605.db2.gz HJOWKRVRDCXDHE-SSHXOBKSSA-N 1 1 278.440 3.045 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC001334044870 936081992 /nfs/dbraw/zinc/08/19/92/936081992.db2.gz WAUPPCQEVBTZBK-OAHLLOKOSA-N 1 1 259.397 3.476 20 30 CGEDMO CC(C)n1cc2c(n1)[C@@H]([NH2+]CC#Cc1ccccc1)CCC2 ZINC001334217339 936091805 /nfs/dbraw/zinc/09/18/05/936091805.db2.gz KLFPNEZWTUDJRJ-SFHVURJKSA-N 1 1 293.414 3.483 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1Br)CC1CC1 ZINC001337056761 936234729 /nfs/dbraw/zinc/23/47/29/936234729.db2.gz BDPHADDXNOHJNN-UHFFFAOYSA-N 1 1 278.193 3.294 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1Br)CC1CC1 ZINC001337056761 936234732 /nfs/dbraw/zinc/23/47/32/936234732.db2.gz BDPHADDXNOHJNN-UHFFFAOYSA-N 1 1 278.193 3.294 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cc(C)c3ncccc3c2)C1 ZINC001337728029 936284036 /nfs/dbraw/zinc/28/40/36/936284036.db2.gz MJIMMWUAAOTERZ-KRWDZBQOSA-N 1 1 282.387 3.320 20 30 CGEDMO CO[C@@H](C[N@@H+](C)CCc1cccc(C#N)c1)C1CCCC1 ZINC001473734578 937820136 /nfs/dbraw/zinc/82/01/36/937820136.db2.gz IEXDAGLUXMGJDC-SFHVURJKSA-N 1 1 286.419 3.238 20 30 CGEDMO C=CCSCC[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC001474107676 937840445 /nfs/dbraw/zinc/84/04/45/937840445.db2.gz MFQIJTPYZXVGKL-UHFFFAOYSA-N 1 1 273.405 3.086 20 30 CGEDMO C[C@H](CC#N)[NH2+]Cc1ccc(CC(F)(F)F)cc1 ZINC001474250606 937845581 /nfs/dbraw/zinc/84/55/81/937845581.db2.gz FEYYTFQWZCWVOA-SNVBAGLBSA-N 1 1 256.271 3.183 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)CCCC)C1 ZINC001479902584 937928422 /nfs/dbraw/zinc/92/84/22/937928422.db2.gz SVHWQXLKVZZCCV-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H](F)CC)C1 ZINC001479909371 937929169 /nfs/dbraw/zinc/92/91/69/937929169.db2.gz VQVQLYWJIMMSEN-CABCVRRESA-N 1 1 286.435 3.286 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001479904747 937929241 /nfs/dbraw/zinc/92/92/41/937929241.db2.gz UUPSVOSEYHIPSP-KRWDZBQOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCN(C(=O)CC2(C)CC2)C1 ZINC001480080930 937931817 /nfs/dbraw/zinc/93/18/17/937931817.db2.gz IZQSEHOHCFHTJB-CQSZACIVSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)/C(C)=C/CC)C1 ZINC001480070860 937931829 /nfs/dbraw/zinc/93/18/29/937931829.db2.gz BEJPHTBAKZUBPE-AHQMPEJBSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](CNC(=O)/C=C\C(C)(C)C)C1 ZINC001480248170 937935292 /nfs/dbraw/zinc/93/52/92/937935292.db2.gz KAYWCUGGQSTHJC-BLIJAFNYSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1cccs1 ZINC001480310747 937936525 /nfs/dbraw/zinc/93/65/25/937936525.db2.gz JJHHNSUADHQYTI-AWEZNQCLSA-N 1 1 292.448 3.299 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2(CC)CC2)C1 ZINC001480383080 937937589 /nfs/dbraw/zinc/93/75/89/937937589.db2.gz MNCDPGKVAXFALH-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)/C=C(\C)CC)C1 ZINC001480723164 937942565 /nfs/dbraw/zinc/94/25/65/937942565.db2.gz BDOLEHKLWKEYQA-MDJJKAFGSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)/C=C(\C)CC)C1 ZINC001480723166 937942749 /nfs/dbraw/zinc/94/27/49/937942749.db2.gz BDOLEHKLWKEYQA-QJPKHSJYSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H]1CCCNC(=O)c1ccoc1 ZINC001480817297 937944780 /nfs/dbraw/zinc/94/47/80/937944780.db2.gz LPPRXCLYXYAJNI-INIZCTEOSA-N 1 1 290.407 3.220 20 30 CGEDMO C=CCCC(=O)NCC[N@H+](C)Cc1ccc(C(F)F)cc1 ZINC001480848771 937946177 /nfs/dbraw/zinc/94/61/77/937946177.db2.gz XQWQZKYGTKOUAG-UHFFFAOYSA-N 1 1 296.361 3.138 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2ccsc2)C1 ZINC001493177365 937947797 /nfs/dbraw/zinc/94/77/97/937947797.db2.gz YHWPDVZRVKKGDZ-KBPBESRZSA-N 1 1 292.448 3.155 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C1(C)CC(=C)C1 ZINC001493136417 937947849 /nfs/dbraw/zinc/94/78/49/937947849.db2.gz SBWIGFNGUKCBLE-HZPDHXFCSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](CNC(=O)C(CC(C)C)CC(C)C)C1 ZINC001493267811 937949243 /nfs/dbraw/zinc/94/92/43/937949243.db2.gz SETPRXMGSBQZPP-INIZCTEOSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)C2CCCCC2)C1 ZINC001493939434 937952235 /nfs/dbraw/zinc/95/22/35/937952235.db2.gz ROMUTJNRVCOSKR-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C[C@H](CC)CC(=O)N(CCC)[C@H]1CC[N@@H+](CC(=C)C)C1 ZINC001493963442 937952339 /nfs/dbraw/zinc/95/23/39/937952339.db2.gz XGTGSBNYUGUHMR-SJORKVTESA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)C(CC)CC)C1 ZINC001493990052 937952666 /nfs/dbraw/zinc/95/26/66/937952666.db2.gz HWBPDTDFIWZWPR-CYBMUJFWSA-N 1 1 286.847 3.003 20 30 CGEDMO C=CCC[N@H+](C)CC1CCN(C(=O)[C@@](C)(C=C)CC)CC1 ZINC001494206071 937953867 /nfs/dbraw/zinc/95/38/67/937953867.db2.gz JDISNUYRLVUIIK-SFHVURJKSA-N 1 1 292.467 3.335 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)CC(C)(C)C)C1 ZINC001494330418 937954192 /nfs/dbraw/zinc/95/41/92/937954192.db2.gz SUEHMIBOCASPOI-HNNXBMFYSA-N 1 1 292.467 3.053 20 30 CGEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)CC(C)(C)C)C1 ZINC001494330418 937954193 /nfs/dbraw/zinc/95/41/93/937954193.db2.gz SUEHMIBOCASPOI-HNNXBMFYSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CCCCCC(=O)N(C)[C@@H]1CC[N@H+](CC/C=C\CC)C1 ZINC001494821403 937956574 /nfs/dbraw/zinc/95/65/74/937956574.db2.gz IBAHCWGCZVRRDY-NBEHIINDSA-N 1 1 290.451 3.069 20 30 CGEDMO C=C1CC(C)(C(=O)N(C)[C@@H]2CC[N@H+](CCCC(C)C)C2)C1 ZINC001494855085 937956671 /nfs/dbraw/zinc/95/66/71/937956671.db2.gz LNIGZOAQVYAPGR-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)C1CC2(CCC2)C1 ZINC001496765038 937963853 /nfs/dbraw/zinc/96/38/53/937963853.db2.gz UXFRZQQJQUFLLT-HNNXBMFYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[C@H]1CCC ZINC001496732399 937963993 /nfs/dbraw/zinc/96/39/93/937963993.db2.gz ASNJGSCALJPPAL-CVEARBPZSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)c1oc(C)cc1C ZINC001498253590 937968753 /nfs/dbraw/zinc/96/87/53/937968753.db2.gz GGEDGTKOVUKGGJ-ZIAGYGMSSA-N 1 1 292.423 3.301 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)CC1(C)CCCCC1 ZINC001498335516 937969364 /nfs/dbraw/zinc/96/93/64/937969364.db2.gz DWRXJJBLXXPUEV-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H](C)CC ZINC001499512377 937973734 /nfs/dbraw/zinc/97/37/34/937973734.db2.gz XIQOLJBMSXBBIH-OAGGEKHMSA-N 1 1 278.440 3.064 20 30 CGEDMO C#CCC[N@@H+]1CC[C@](C)(NC(=O)C[C@@H](C)CCCCC)C1 ZINC001500264792 937976552 /nfs/dbraw/zinc/97/65/52/937976552.db2.gz MYALAUWALFGQTC-WMZOPIPTSA-N 1 1 292.467 3.197 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@](C)(CNC(=O)C(CC)(CC)CC)C1 ZINC001500543355 937977951 /nfs/dbraw/zinc/97/79/51/937977951.db2.gz XEVZAYYDSOIYBG-KRWDZBQOSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)CCC)C2 ZINC001501170134 937978927 /nfs/dbraw/zinc/97/89/27/937978927.db2.gz NLLACJLLEIKJMK-MUJYYYPQSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)C[C@H](C)CC)C[C@H]2C1 ZINC001501217402 937979336 /nfs/dbraw/zinc/97/93/36/937979336.db2.gz YWYBVIJDROTKFV-VQHPVUNQSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC(=C)C ZINC001501396594 937979415 /nfs/dbraw/zinc/97/94/15/937979415.db2.gz WWKSEUSZQSFSEP-SJORKVTESA-N 1 1 290.451 3.374 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C/C=C(/C)C=C)C[C@H]1C ZINC001502970059 937983968 /nfs/dbraw/zinc/98/39/68/937983968.db2.gz RBXRIVPJSLQLBP-NBWJXOEWSA-N 1 1 276.424 3.054 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC(C)=C(C)C)C[C@H]1C ZINC001502968040 937984050 /nfs/dbraw/zinc/98/40/50/937984050.db2.gz KRQMKXGXBKVBNN-CABCVRRESA-N 1 1 298.858 3.454 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC(C)=C(C)C)C[C@H]1C ZINC001502968040 937984051 /nfs/dbraw/zinc/98/40/51/937984051.db2.gz KRQMKXGXBKVBNN-CABCVRRESA-N 1 1 298.858 3.454 20 30 CGEDMO C=CCCC(=O)NC[C@@H](C)[N@@H+](C)Cc1c(C)cccc1C ZINC001505884722 937987699 /nfs/dbraw/zinc/98/76/99/937987699.db2.gz MIYXTWWQPDFXLS-MRXNPFEDSA-N 1 1 288.435 3.206 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(F)s1 ZINC001506069950 937989156 /nfs/dbraw/zinc/98/91/56/937989156.db2.gz ZEORJKHURDHYCJ-NEPJUHHUSA-N 1 1 298.427 3.292 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(F)s1 ZINC001506069952 937989247 /nfs/dbraw/zinc/98/92/47/937989247.db2.gz ZEORJKHURDHYCJ-RYUDHWBXSA-N 1 1 298.427 3.292 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](C)C(C)(C)C ZINC001506563047 937990761 /nfs/dbraw/zinc/99/07/61/937990761.db2.gz WRDCUCOQEHBPFO-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)C[C@@H](C)CC ZINC001506557481 937990803 /nfs/dbraw/zinc/99/08/03/937990803.db2.gz DPTROMQABJJWRM-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC12CC2 ZINC001506576291 937990972 /nfs/dbraw/zinc/99/09/72/937990972.db2.gz RUQSHZUMNNORKR-HZPDHXFCSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)[C@](C)(F)CCCC)C2)C1 ZINC001506862696 937992297 /nfs/dbraw/zinc/99/22/97/937992297.db2.gz ASDFCYFBBJVEGW-MRXNPFEDSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)C2=CCCCCC2)CC1 ZINC001506956181 937993300 /nfs/dbraw/zinc/99/33/00/937993300.db2.gz MDHNAJPJCJQVTC-UHFFFAOYSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C2CC(C)(C)C2)[C@H]1C ZINC001507375593 937995503 /nfs/dbraw/zinc/99/55/03/937995503.db2.gz WPXPMSVFKTXFOR-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)c1cc(C)cs1)C(C)C ZINC001507788222 937996980 /nfs/dbraw/zinc/99/69/80/937996980.db2.gz RUHDQNAOCXGWEZ-UHFFFAOYSA-N 1 1 280.437 3.025 20 30 CGEDMO C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)CC2(C)CC2)CC1 ZINC001508076338 937998114 /nfs/dbraw/zinc/99/81/14/937998114.db2.gz LHKBSTJPZXAFEO-ZDUSSCGKSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)C[C@@H]2C=CCCC2)CC1 ZINC001508209000 937998873 /nfs/dbraw/zinc/99/88/73/937998873.db2.gz NRKBKGKUKGYBFC-MRXNPFEDSA-N 1 1 288.435 3.057 20 30 CGEDMO C=CC1(CC(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)CCCCC1 ZINC001514797528 938002852 /nfs/dbraw/zinc/00/28/52/938002852.db2.gz LETDXKIANNIOIG-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO Cc1cc(C#N)nc(N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC001515623413 938006850 /nfs/dbraw/zinc/00/68/50/938006850.db2.gz HJGGJMWIWTYAMP-GJZGRUSLSA-N 1 1 298.434 3.327 20 30 CGEDMO C=C(CC(C)C)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001528094612 938065580 /nfs/dbraw/zinc/06/55/80/938065580.db2.gz KTWRULFBBVGHAT-JKSUJKDBSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC1(CC(=O)NCC[N@@H+]2CCC(C)(C)C2)CCCCC1 ZINC001539988626 938127300 /nfs/dbraw/zinc/12/73/00/938127300.db2.gz YDVKLDKDMKVDMF-UHFFFAOYSA-N 1 1 292.467 3.361 20 30 CGEDMO CCCCCCCCC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001540074075 938127807 /nfs/dbraw/zinc/12/78/07/938127807.db2.gz OAMCKFUMLKPEBF-OWCLPIDISA-N 1 1 280.456 3.193 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)c1cc2cc(C)ccc2[nH]1 ZINC001556465954 938204007 /nfs/dbraw/zinc/20/40/07/938204007.db2.gz CYYLUWFWRFOIMH-UHFFFAOYSA-N 1 1 299.418 3.056 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H](C(=O)Nc2ccc(CCC#N)cc2)C1 ZINC001558424918 938215360 /nfs/dbraw/zinc/21/53/60/938215360.db2.gz AKOJAAAEHSUEOC-MRXNPFEDSA-N 1 1 299.418 3.202 20 30 CGEDMO Cc1cc(NC[C@@H](C)[N@@H+](C)Cc2ccccc2)ncc1C#N ZINC001559107174 938220398 /nfs/dbraw/zinc/22/03/98/938220398.db2.gz SRKQOSJWIJTKRD-OAHLLOKOSA-N 1 1 294.402 3.194 20 30 CGEDMO Cc1ccnc(NC[C@@H]2CC[N@H+]2C2CCCCCC2)c1C#N ZINC001559260692 938223779 /nfs/dbraw/zinc/22/37/79/938223779.db2.gz YQYUOJJTZKQGDO-INIZCTEOSA-N 1 1 298.434 3.471 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@H+](CC)C[C@@H](C)CC)cc1 ZINC001559579746 938230034 /nfs/dbraw/zinc/23/00/34/938230034.db2.gz QHHZMJRVTJLHDQ-HNNXBMFYSA-N 1 1 286.419 3.365 20 30 CGEDMO C#CCOCC[N@H+](CCc1ccc(C)cc1)Cc1ccco1 ZINC001559574685 938230051 /nfs/dbraw/zinc/23/00/51/938230051.db2.gz HHUIZBRPGWCIDM-UHFFFAOYSA-N 1 1 297.398 3.283 20 30 CGEDMO C=CC[C@H]([NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2)C(=O)OC ZINC001559777451 938235524 /nfs/dbraw/zinc/23/55/24/938235524.db2.gz QQVDKVNFWDYMMY-HANOVZDXSA-N 1 1 291.435 3.299 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCC[C@@H]1COC(=O)N(C)C ZINC001559817989 938236574 /nfs/dbraw/zinc/23/65/74/938236574.db2.gz BUJCWSBSXIAORU-OAHLLOKOSA-N 1 1 282.428 3.286 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CC(=O)Nc2cccc(Cl)c2)C1 ZINC001560027143 938242254 /nfs/dbraw/zinc/24/22/54/938242254.db2.gz SKTKGUDLQGVBAG-GFCCVEGCSA-N 1 1 278.783 3.177 20 30 CGEDMO CO[C@H]1CC[C@H](C)[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001560063801 938242955 /nfs/dbraw/zinc/24/29/55/938242955.db2.gz GVAIFAUOGOJGNJ-BBRMVZONSA-N 1 1 277.795 3.191 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@H]1CCCN(c2ccc(C)cc2)C1=O ZINC001560205457 938247170 /nfs/dbraw/zinc/24/71/70/938247170.db2.gz BNIQXUYDKMROGR-WBVHZDCISA-N 1 1 284.403 3.141 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CNC[C@@H](C)C[NH+]1CCCCC1 ZINC001560282975 938250966 /nfs/dbraw/zinc/25/09/66/938250966.db2.gz PVBBGKZSWNFJQN-OAHLLOKOSA-N 1 1 299.462 3.387 20 30 CGEDMO C#Cc1ccc(C[NH2+]Cc2c(F)cccc2OCC)cc1 ZINC001560478140 938259773 /nfs/dbraw/zinc/25/97/73/938259773.db2.gz KXQXMSYDIBQJSG-UHFFFAOYSA-N 1 1 283.346 3.496 20 30 CGEDMO C=CCC[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1C)C(=O)OCC ZINC001560837350 938278812 /nfs/dbraw/zinc/27/88/12/938278812.db2.gz OTJCXHKAQMKMDW-KKUMJFAQSA-N 1 1 267.413 3.300 20 30 CGEDMO C#CCC[N@H+](CCOC)C[C@@H]1CCC[C@H](CC)C1 ZINC001560945877 938285861 /nfs/dbraw/zinc/28/58/61/938285861.db2.gz MFXULUFNOIXEND-JKSUJKDBSA-N 1 1 251.414 3.175 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1cc2c(cc1OC)OCO2 ZINC001561037788 938290847 /nfs/dbraw/zinc/29/08/47/938290847.db2.gz UDVKLUKIWXNZGR-UHFFFAOYSA-N 1 1 277.364 3.212 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)C1CCC1 ZINC001230573318 957848326 /nfs/dbraw/zinc/84/83/26/957848326.db2.gz UBZWJBYCTZYEPC-INIZCTEOSA-N 1 1 280.456 3.290 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@](C)(NC(=O)C2CCC2)C1 ZINC001324570775 957851695 /nfs/dbraw/zinc/85/16/95/957851695.db2.gz HARYPYVMRWTZGW-QGZVFWFLSA-N 1 1 280.456 3.338 20 30 CGEDMO C#CC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC1CC1 ZINC001324382911 957852674 /nfs/dbraw/zinc/85/26/74/957852674.db2.gz RNFATMXJINTRLG-UHFFFAOYSA-N 1 1 291.316 3.402 20 30 CGEDMO C#CCC[N@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000777807713 958801146 /nfs/dbraw/zinc/80/11/46/958801146.db2.gz LCZLVYJXFWLCKB-HNNXBMFYSA-N 1 1 286.423 3.055 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000777807713 958801158 /nfs/dbraw/zinc/80/11/58/958801158.db2.gz LCZLVYJXFWLCKB-HNNXBMFYSA-N 1 1 286.423 3.055 20 30 CGEDMO C#CCC[N@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000777807713 958801177 /nfs/dbraw/zinc/80/11/77/958801177.db2.gz LCZLVYJXFWLCKB-HNNXBMFYSA-N 1 1 286.423 3.055 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)C(=C)C ZINC001570728497 960457924 /nfs/dbraw/zinc/45/79/24/960457924.db2.gz PXVWRGOZBAENPZ-LSDHHAIUSA-N 1 1 280.456 3.380 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)c1ccc(C)s1)C(C)C ZINC001571609671 960471890 /nfs/dbraw/zinc/47/18/90/960471890.db2.gz PGKLEJIDNZLZFS-UHFFFAOYSA-N 1 1 280.437 3.025 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)C2CC(C)C2)C1 ZINC001566736426 960573184 /nfs/dbraw/zinc/57/31/84/960573184.db2.gz UCEXXSOMCWPYRG-AQFXKWCLSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N(C)C[C@H]1CC[N@H+]1CCC(C)C ZINC001565825446 960583090 /nfs/dbraw/zinc/58/30/90/960583090.db2.gz VCLUZAHZVHZDJA-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)CCCCCC)C1 ZINC001567924711 960603095 /nfs/dbraw/zinc/60/30/95/960603095.db2.gz GAODOIGGMGDODH-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C[C@H](CC)CC(=O)N(C)C[C@@H]1CC[N@H+]1CCC(C)C ZINC001565825441 960834224 /nfs/dbraw/zinc/83/42/24/960834224.db2.gz VCLUZAHZVHZDJA-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1(C2CCCCC2)CC1 ZINC001565831234 960840082 /nfs/dbraw/zinc/84/00/82/960840082.db2.gz CLNVUWIDMJJXFR-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(C2CCCCC2)CC1 ZINC001565831234 960840100 /nfs/dbraw/zinc/84/01/00/960840100.db2.gz CLNVUWIDMJJXFR-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)/C=C(\C)CC)C[C@@H]2C1 ZINC001566043149 960865738 /nfs/dbraw/zinc/86/57/38/960865738.db2.gz PGPFBFYZPCBUEG-GUJBPHSMSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)C(C)(C)C)C1 ZINC001566739064 960995698 /nfs/dbraw/zinc/99/56/98/960995698.db2.gz UJPHDZYHLFJJIZ-HOTGVXAUSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C)C(C)(C)C)C1 ZINC001566739063 960998660 /nfs/dbraw/zinc/99/86/60/960998660.db2.gz UJPHDZYHLFJJIZ-CVEARBPZSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCF ZINC001566822275 961023727 /nfs/dbraw/zinc/02/37/27/961023727.db2.gz XTVXUONWRNGPLP-UCMJJCQDSA-N 1 1 296.430 3.060 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)/C(C)=C/C)C1 ZINC001566824812 961023981 /nfs/dbraw/zinc/02/39/81/961023981.db2.gz NCDGHNOWQVLXPR-KZIQZQBPSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)C2(C)CC=CC2)C1 ZINC001566877077 961031010 /nfs/dbraw/zinc/03/10/10/961031010.db2.gz PTLXVKUFSRWBAS-INIZCTEOSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)C2CC2)C1 ZINC001566963302 961077098 /nfs/dbraw/zinc/07/70/98/961077098.db2.gz SCEUOSPDGSVYCK-CABCVRRESA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC1(CC(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)CCCCC1 ZINC001566988925 961086967 /nfs/dbraw/zinc/08/69/67/961086967.db2.gz GWGWRDOZPPJTOT-GJZGRUSLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]([N@H+](C)CC/C=C/CC)C1 ZINC001567189044 961130489 /nfs/dbraw/zinc/13/04/89/961130489.db2.gz YVOJUBCBUFPNIO-BVBGJJFLSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)C1CCCC1 ZINC001567241668 961156832 /nfs/dbraw/zinc/15/68/32/961156832.db2.gz IYXAIWNIECFSKT-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)CC(C)=C(C)C ZINC001567297045 961258317 /nfs/dbraw/zinc/25/83/17/961258317.db2.gz IVJVKLYXLFPGQV-HNNXBMFYSA-N 1 1 266.429 3.136 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)CC1CCC1 ZINC001567361913 961310231 /nfs/dbraw/zinc/31/02/31/961310231.db2.gz XSQSGINACYWXAO-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@H]1CC[N@H+](C[C@@H](C)CC)C1 ZINC001567403678 961319049 /nfs/dbraw/zinc/31/90/49/961319049.db2.gz TWAAVEHUMCTBMR-LSDHHAIUSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)c1sccc1CC ZINC001567433179 961338063 /nfs/dbraw/zinc/33/80/63/961338063.db2.gz VWDNCGWMKZCMTH-UHFFFAOYSA-N 1 1 294.464 3.328 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCCC[N@H+](CC(C)C)C(C)C ZINC001567647014 961381629 /nfs/dbraw/zinc/38/16/29/961381629.db2.gz ZCUVFTNYQKGJHE-UHFFFAOYSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001567713064 961408223 /nfs/dbraw/zinc/40/82/23/961408223.db2.gz VHUHGQXFCWPWIN-ULQDDVLXSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H](NC(=O)C2CCC3(CC3)CC2)C1 ZINC001567877208 961454162 /nfs/dbraw/zinc/45/41/62/961454162.db2.gz UMVBVHJKOUXNLW-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)C2CCCCC2)C1 ZINC001567899039 961455272 /nfs/dbraw/zinc/45/52/72/961455272.db2.gz DDUKACTYOPNZJZ-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)C2(CC)CCCCC2)C1 ZINC001567928125 961466523 /nfs/dbraw/zinc/46/65/23/961466523.db2.gz BVQXKYNRURWJRI-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H](C)C(CC)CC)C1 ZINC001567938598 961467936 /nfs/dbraw/zinc/46/79/36/961467936.db2.gz IWMKEAAMJGPNPZ-RDJZCZTQSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2CN(C(=O)CCCCCC)CC[C@H]21 ZINC001568515485 961606997 /nfs/dbraw/zinc/60/69/97/961606997.db2.gz LKUAQXZORUMHSM-DLBZAZTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CC3(C)CC3)CC[C@H]21 ZINC001568514559 961609177 /nfs/dbraw/zinc/60/91/77/961609177.db2.gz ZBLPCUAFKLKCQB-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCCCC)CC[C@H]21 ZINC001568515486 961609559 /nfs/dbraw/zinc/60/95/59/961609559.db2.gz LKUAQXZORUMHSM-IAGOWNOFSA-N 1 1 292.467 3.456 20 30 CGEDMO C#CCCCC(=O)N[C@@H](C)C[N@@H+](C)CCC1=CCCCC1 ZINC001569114164 961688388 /nfs/dbraw/zinc/68/83/88/961688388.db2.gz CIXMGLNUTLURDO-INIZCTEOSA-N 1 1 290.451 3.117 20 30 CGEDMO C=CCCC(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1CC ZINC001569109492 961690260 /nfs/dbraw/zinc/69/02/60/961690260.db2.gz SZODCKLYLGCDSJ-HNNXBMFYSA-N 1 1 288.435 3.152 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)C1CCC(C2CC2)CC1 ZINC001569148483 961711375 /nfs/dbraw/zinc/71/13/75/961711375.db2.gz HREPIZBGRDMIIF-OOHWJJMZSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC(C)(C)C=C)C2)C1 ZINC001569465991 961780955 /nfs/dbraw/zinc/78/09/55/961780955.db2.gz SJTHYTBKKXUQCS-GOSISDBHSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)/C(C)=C/CC)C1 ZINC001569709921 961828639 /nfs/dbraw/zinc/82/86/39/961828639.db2.gz KELXUDFBIAOYNO-NQUDRAQSSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCCF)C2 ZINC001569860735 961857018 /nfs/dbraw/zinc/85/70/18/961857018.db2.gz YZJWBWZMXDPDIS-MUJYYYPQSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@H](C)C(C)(C)C)C[C@H]2C1 ZINC001569877597 961860064 /nfs/dbraw/zinc/86/00/64/961860064.db2.gz SHQDGYQMAXIVFQ-HRCADAONSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CCC[N@H+](C[C@H](F)CC)CC1 ZINC001570181024 961911839 /nfs/dbraw/zinc/91/18/39/961911839.db2.gz BHIGPEPOQVQZNT-CABCVRRESA-N 1 1 298.446 3.308 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC(C)(C)C1 ZINC001570207362 961921747 /nfs/dbraw/zinc/92/17/47/961921747.db2.gz NXXANJBYDKCMRV-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CCC[N@H+](C[C@H](C)CC)CC1 ZINC001570182006 961925063 /nfs/dbraw/zinc/92/50/63/961925063.db2.gz UUWVHGWYTHLJPM-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@@H+](CCF)[C@H](C)C2)CCCC1 ZINC001570449383 961969007 /nfs/dbraw/zinc/96/90/07/961969007.db2.gz PLEHCRPBODQAJX-CABCVRRESA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C)C1CCCC1 ZINC001570544062 961984676 /nfs/dbraw/zinc/98/46/76/961984676.db2.gz QKRUSHHPHIUJCL-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)CCCCC ZINC001570524639 961985110 /nfs/dbraw/zinc/98/51/10/961985110.db2.gz XOHSLENTCLVPSP-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)/C(C)=C/CC ZINC001570525939 961994386 /nfs/dbraw/zinc/99/43/86/961994386.db2.gz LALPDUXCDPUUTP-GMMCIKNFSA-N 1 1 284.831 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)/C(C)=C/CC ZINC001570525939 961994402 /nfs/dbraw/zinc/99/44/02/961994402.db2.gz LALPDUXCDPUUTP-GMMCIKNFSA-N 1 1 284.831 3.018 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)C1(C)CCCCC1 ZINC001570733932 962058549 /nfs/dbraw/zinc/05/85/49/962058549.db2.gz JVZOLNBITNERIT-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)C1CC(C(C)(C)C)C1 ZINC001570754075 962070531 /nfs/dbraw/zinc/07/05/31/962070531.db2.gz WLWJVHHHBNXGSX-FHERZECASA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)c1ccccc1 ZINC001570747146 962078860 /nfs/dbraw/zinc/07/88/60/962078860.db2.gz CKUVMPXJMOXCNE-HOTGVXAUSA-N 1 1 288.435 3.193 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](CC)SC ZINC001570820340 962093577 /nfs/dbraw/zinc/09/35/77/962093577.db2.gz NLOAFPJCVTXYSI-CABCVRRESA-N 1 1 298.496 3.065 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H](F)CC)CC1(C)C ZINC001570899144 962109826 /nfs/dbraw/zinc/10/98/26/962109826.db2.gz JNGWXOYIJYYCPE-UONOGXRCSA-N 1 1 298.446 3.163 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C1 ZINC001570889004 962110412 /nfs/dbraw/zinc/11/04/12/962110412.db2.gz OUZURJTXOMGSNB-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)[C@H](CC)CCCC)C2)C1 ZINC001571027966 962120150 /nfs/dbraw/zinc/12/01/50/962120150.db2.gz BJYUHCUMBSOICZ-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@]2(NC(=O)C(C)(C)F)CCC[C@@H]12 ZINC001571494948 962168646 /nfs/dbraw/zinc/16/86/46/962168646.db2.gz KLQUTRZEAYWZLF-VBQJREDUSA-N 1 1 296.430 3.202 20 30 CGEDMO C=CCCCC(=O)N[C@]12CCC[C@@H]1[N@@H+](CC(=C)C)CC2 ZINC001571502552 962168771 /nfs/dbraw/zinc/16/87/71/962168771.db2.gz GHXFYRFAVQPKTA-RDJZCZTQSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)CC(C)=C(C)C)CCC[C@H]12 ZINC001571503816 962171167 /nfs/dbraw/zinc/17/11/67/962171167.db2.gz WIQWHKSZNGWAPU-DOTOQJQBSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C(=O)c1cocc1C)C(C)C ZINC001571613899 962183880 /nfs/dbraw/zinc/18/38/80/962183880.db2.gz MLFXAWANHAGULI-UHFFFAOYSA-N 1 1 292.423 3.337 20 30 CGEDMO CC#CC[N@@H+](C)CCN(C(=O)[C@H](C)C1CCCC1)C(C)C ZINC001571615693 962194104 /nfs/dbraw/zinc/19/41/04/962194104.db2.gz AFZTUJKZXFRMBC-MRXNPFEDSA-N 1 1 292.467 3.005 20 30 CGEDMO CC#CC[N@H+](C)CCN(C(=O)C[C@@H](CC)C(C)C)C(C)C ZINC001571615956 962196726 /nfs/dbraw/zinc/19/67/26/962196726.db2.gz LJICFICMVTZCAH-QGZVFWFLSA-N 1 1 294.483 3.251 20 30 CGEDMO C=CC[C@]1(C(=O)Oc2cccc(Cl)c2F)CCC[NH2+]1 ZINC001574897663 962332303 /nfs/dbraw/zinc/33/23/03/962332303.db2.gz SFHJWCYRQPDVEP-CQSZACIVSA-N 1 1 283.730 3.083 20 30 CGEDMO C=CCCCCCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001587021333 963166699 /nfs/dbraw/zinc/16/66/99/963166699.db2.gz JSIZTGIXGNXDEH-KRWDZBQOSA-N 1 1 298.446 3.452 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H](C)CCC ZINC001588647764 963299251 /nfs/dbraw/zinc/29/92/51/963299251.db2.gz BLLDYNJEPMWRRY-ZDUSSCGKSA-N 1 1 285.395 3.043 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(Cl)c1)[C@@H](C)COC ZINC000621317488 349494721 /nfs/dbraw/zinc/49/47/21/349494721.db2.gz GLBWKHAZPQCOGO-LBPRGKRZSA-N 1 1 253.773 3.363 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cncc(OCC)c2)C1 ZINC000621732052 349572229 /nfs/dbraw/zinc/57/22/29/349572229.db2.gz LQSHXJKHSWYKOV-CQSZACIVSA-N 1 1 260.381 3.268 20 30 CGEDMO N#Cc1ccccc1C[NH2+][C@@H](CCCO)c1ccccc1 ZINC000270098211 190598121 /nfs/dbraw/zinc/59/81/21/190598121.db2.gz LNZVIIJWUBKGMD-SFHVURJKSA-N 1 1 280.371 3.162 20 30 CGEDMO C[N@@H+](C[C@H]1CCOc2ccccc21)CC(C)(C)C#N ZINC000590372015 346844501 /nfs/dbraw/zinc/84/45/01/346844501.db2.gz LMCAZHRMTDMAJK-CYBMUJFWSA-N 1 1 258.365 3.034 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@@H]1C ZINC000590375345 346844920 /nfs/dbraw/zinc/84/49/20/346844920.db2.gz LYRNZELYCHKWPK-NXEZZACHSA-N 1 1 268.282 3.417 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@@H]1C ZINC000590375345 346844922 /nfs/dbraw/zinc/84/49/22/346844922.db2.gz LYRNZELYCHKWPK-NXEZZACHSA-N 1 1 268.282 3.417 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1cc2cc(Cl)cnc2o1 ZINC000590649556 346859243 /nfs/dbraw/zinc/85/92/43/346859243.db2.gz YXFZHUJULLPTPM-LLVKDONJSA-N 1 1 263.728 3.263 20 30 CGEDMO CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000590748309 346871818 /nfs/dbraw/zinc/87/18/18/346871818.db2.gz RMQCIVKRMMVPJT-DOTOQJQBSA-N 1 1 286.419 3.081 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@@H]1C ZINC000590757364 346872626 /nfs/dbraw/zinc/87/26/26/346872626.db2.gz SANUHBRXVOGUDL-YOEHRIQHSA-N 1 1 286.419 3.345 20 30 CGEDMO COC[C@H]1CCCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000590764698 346873184 /nfs/dbraw/zinc/87/31/84/346873184.db2.gz BWMWCZABNXIUFX-QGZVFWFLSA-N 1 1 286.419 3.489 20 30 CGEDMO C[C@@H](CCC#N)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000591015667 346894783 /nfs/dbraw/zinc/89/47/83/346894783.db2.gz WAKOACADPILGQL-IRXDYDNUSA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@@H](CCC#N)[N@@H+]1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000591015667 346894785 /nfs/dbraw/zinc/89/47/85/346894785.db2.gz WAKOACADPILGQL-IRXDYDNUSA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000591015667 346894789 /nfs/dbraw/zinc/89/47/89/346894789.db2.gz WAKOACADPILGQL-IRXDYDNUSA-N 1 1 285.435 3.275 20 30 CGEDMO COc1ccc(C[N@H+]2C[C@@H](C)CC[C@@H]2C)cc1C#N ZINC000088704606 536860510 /nfs/dbraw/zinc/86/05/10/536860510.db2.gz JFLRDSNAXDAVPU-STQMWFEESA-N 1 1 258.365 3.187 20 30 CGEDMO N#Cc1cnccc1C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000592055234 346957968 /nfs/dbraw/zinc/95/79/68/346957968.db2.gz KYLQFGJVEDCUEC-KRWDZBQOSA-N 1 1 263.344 3.290 20 30 CGEDMO N#Cc1cnccc1C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000592055234 346957971 /nfs/dbraw/zinc/95/79/71/346957971.db2.gz KYLQFGJVEDCUEC-KRWDZBQOSA-N 1 1 263.344 3.290 20 30 CGEDMO N#Cc1cnccc1C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000592058652 346958360 /nfs/dbraw/zinc/95/83/60/346958360.db2.gz JPJFFWFUCHGNDE-GOSISDBHSA-N 1 1 277.371 3.160 20 30 CGEDMO C=CCCn1cc(C[NH2+]Cc2ccccc2CC(C)C)nn1 ZINC000623587601 349841691 /nfs/dbraw/zinc/84/16/91/349841691.db2.gz YQZUHGDSNSCWAH-UHFFFAOYSA-N 1 1 298.434 3.343 20 30 CGEDMO COc1cncc(/C=C/CC[N@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000592101806 346963213 /nfs/dbraw/zinc/96/32/13/346963213.db2.gz SLCOQFRZPHDHFC-ZVVFDCPKSA-N 1 1 285.391 3.119 20 30 CGEDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccncc1C#N ZINC000592072885 346960344 /nfs/dbraw/zinc/96/03/44/346960344.db2.gz QGKLLVPVGAJSHX-XJKCOSOUSA-N 1 1 255.365 3.106 20 30 CGEDMO CC(C)[C@H]1CCC[N@@H+](Cc2ccncc2C#N)CC1 ZINC000592070231 346960487 /nfs/dbraw/zinc/96/04/87/346960487.db2.gz IPCGIVHSQILPBR-AWEZNQCLSA-N 1 1 257.381 3.211 20 30 CGEDMO C[C@@H]1CC2(C[N@H+]1Cc1ccc(F)c(C#N)c1)CCOCC2 ZINC000592181544 346969449 /nfs/dbraw/zinc/96/94/49/346969449.db2.gz HPTCSCZJFUSBIR-CYBMUJFWSA-N 1 1 288.366 3.088 20 30 CGEDMO CC[N@@H+](Cc1ccncc1C#N)[C@@H](C)Cc1ccsc1 ZINC000592107015 346963696 /nfs/dbraw/zinc/96/36/96/346963696.db2.gz CLYODMHJQKPZCH-ZDUSSCGKSA-N 1 1 285.416 3.468 20 30 CGEDMO C=CCOc1ccccc1CNC[C@H]1CCCC[N@H+](C)C1 ZINC000623655544 349856442 /nfs/dbraw/zinc/85/64/42/349856442.db2.gz ZECXCEPSDYOSFQ-MRXNPFEDSA-N 1 1 288.435 3.073 20 30 CGEDMO N#Cc1cnccc1C[N@H+]1CCCC[C@H]1C1CCC1 ZINC000592198492 346971536 /nfs/dbraw/zinc/97/15/36/346971536.db2.gz KVMJJCCHSGACBC-INIZCTEOSA-N 1 1 255.365 3.108 20 30 CGEDMO N#CC1(CCC[N@H+]2CCC23CCCC3)CCOCC1 ZINC000593039488 347030926 /nfs/dbraw/zinc/03/09/26/347030926.db2.gz SVZJNELRHFGAAN-UHFFFAOYSA-N 1 1 262.397 3.105 20 30 CGEDMO CC(C)(C)OC(=O)C[C@@H]1CCCC[N@H+]1CCCCC#N ZINC000593089521 347038629 /nfs/dbraw/zinc/03/86/29/347038629.db2.gz ATVJJBTVEOOLFS-AWEZNQCLSA-N 1 1 280.412 3.267 20 30 CGEDMO CC(C)C[N@@H+](C)CCCN[C@@H](C)c1cccc(C#N)c1 ZINC000593181891 347048900 /nfs/dbraw/zinc/04/89/00/347048900.db2.gz MSOGDFQTNMGLMN-HNNXBMFYSA-N 1 1 273.424 3.187 20 30 CGEDMO C[N@H+]1CCCC[C@H]1CCC(=O)Nc1nc2ccccc2[nH]1 ZINC000330290292 530052951 /nfs/dbraw/zinc/05/29/51/530052951.db2.gz FQGLZRUCAYGWLD-LBPRGKRZSA-N 1 1 286.379 3.415 20 30 CGEDMO C[N@@H+](CCOc1ccccc1C#N)Cc1ccsc1 ZINC000035719210 344942743 /nfs/dbraw/zinc/94/27/43/344942743.db2.gz LMBQSSVNLJAHBO-UHFFFAOYSA-N 1 1 272.373 3.131 20 30 CGEDMO CCC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)C(C)C ZINC000037096145 344947717 /nfs/dbraw/zinc/94/77/17/344947717.db2.gz KULWWVCDYYPERO-UHFFFAOYSA-N 1 1 273.380 3.007 20 30 CGEDMO C=CC[N@H+](CC(=O)N1CCCCCC1)Cc1ccccc1 ZINC000045796685 345030741 /nfs/dbraw/zinc/03/07/41/345030741.db2.gz ZDMSXHRPGJEVFH-UHFFFAOYSA-N 1 1 286.419 3.077 20 30 CGEDMO C=CC[N@@H+](CC(=O)N1CCCCCC1)Cc1ccccc1 ZINC000045796685 345030743 /nfs/dbraw/zinc/03/07/43/345030743.db2.gz ZDMSXHRPGJEVFH-UHFFFAOYSA-N 1 1 286.419 3.077 20 30 CGEDMO COc1ccc([C@@H]2CCC[N@H+]2CCCC#N)cc1OC ZINC000045915166 345031997 /nfs/dbraw/zinc/03/19/97/345031997.db2.gz LAZCVCCTDXWSQM-AWEZNQCLSA-N 1 1 274.364 3.144 20 30 CGEDMO COCC[N@@H+](Cc1cn2ccccc2c1C#N)C1CCCC1 ZINC000046600740 345041335 /nfs/dbraw/zinc/04/13/35/345041335.db2.gz NQHFPAFBNYDPTJ-UHFFFAOYSA-N 1 1 297.402 3.202 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]Cc1cccc(C)n1 ZINC000048329707 345064984 /nfs/dbraw/zinc/06/49/84/345064984.db2.gz OYFMGWUTARZSGT-UHFFFAOYSA-N 1 1 268.360 3.245 20 30 CGEDMO C[N@@H+](CCOc1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000053421375 345120201 /nfs/dbraw/zinc/12/02/01/345120201.db2.gz PRRLVQFREXXQTP-UHFFFAOYSA-N 1 1 284.334 3.208 20 30 CGEDMO C[N@H+](CC(=O)N(CCC#N)c1ccccc1)CC1CCCC1 ZINC000064021472 345256243 /nfs/dbraw/zinc/25/62/43/345256243.db2.gz BNRXEECIFLBHSZ-UHFFFAOYSA-N 1 1 299.418 3.055 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)CC1 ZINC000063302867 345245807 /nfs/dbraw/zinc/24/58/07/345245807.db2.gz HGPIUVPQMPQQNW-CQSZACIVSA-N 1 1 267.376 3.433 20 30 CGEDMO CCC[N@H+](Cc1cn2ccccc2c1C#N)CC1CC1 ZINC000058563099 345197074 /nfs/dbraw/zinc/19/70/74/345197074.db2.gz KWLLHZQWIISPFT-UHFFFAOYSA-N 1 1 267.376 3.433 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)Cc1occc1C(=O)OC ZINC000065959584 345281896 /nfs/dbraw/zinc/28/18/96/345281896.db2.gz MZGMXKQXAUZTPW-UHFFFAOYSA-N 1 1 299.370 3.297 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1occc1C(=O)OC ZINC000065959584 345281899 /nfs/dbraw/zinc/28/18/99/345281899.db2.gz MZGMXKQXAUZTPW-UHFFFAOYSA-N 1 1 299.370 3.297 20 30 CGEDMO Cc1cc(C)n(-c2ccc(C[N@@H+](C)C[C@H](C)C#N)cc2)n1 ZINC000066468959 345296183 /nfs/dbraw/zinc/29/61/83/345296183.db2.gz JNJMUUJHWQVTKU-CYBMUJFWSA-N 1 1 282.391 3.081 20 30 CGEDMO Cc1cc(C)n(-c2ccc(C[N@H+](C)C[C@H](C)C#N)cc2)n1 ZINC000066468959 345296187 /nfs/dbraw/zinc/29/61/87/345296187.db2.gz JNJMUUJHWQVTKU-CYBMUJFWSA-N 1 1 282.391 3.081 20 30 CGEDMO CC(C)[N@@H+](Cc1cccs1)Cc1ccnc(C#N)c1 ZINC000068766184 345362210 /nfs/dbraw/zinc/36/22/10/345362210.db2.gz ISFYARXXKHJPIH-UHFFFAOYSA-N 1 1 271.389 3.425 20 30 CGEDMO CC[N@@H+](CCC(C)(C)O)[C@H](C)c1ccc(C#N)cc1 ZINC000081666118 345716970 /nfs/dbraw/zinc/71/69/70/345716970.db2.gz SPEADCQAMQHELU-CYBMUJFWSA-N 1 1 260.381 3.102 20 30 CGEDMO N#Cc1ccc(Cl)cc1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000091480200 345816699 /nfs/dbraw/zinc/81/66/99/345816699.db2.gz ICQIEGWCEKZOMX-GFCCVEGCSA-N 1 1 286.766 3.319 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H](C(=O)OCC)C1 ZINC000091506550 345817220 /nfs/dbraw/zinc/81/72/20/345817220.db2.gz KPVASOFJUSTHIK-UONOGXRCSA-N 1 1 253.386 3.006 20 30 CGEDMO CC[C@H](C)[N@H+](C)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000091072720 345803189 /nfs/dbraw/zinc/80/31/89/345803189.db2.gz HXEKDHXEWBVGII-ZDUSSCGKSA-N 1 1 282.391 3.283 20 30 CGEDMO CC[C@H](C)[N@@H+](C)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000091072720 345803191 /nfs/dbraw/zinc/80/31/91/345803191.db2.gz HXEKDHXEWBVGII-ZDUSSCGKSA-N 1 1 282.391 3.283 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)[C@@H](CO)C(C)(C)C)cc1 ZINC000093821726 345888288 /nfs/dbraw/zinc/88/82/88/345888288.db2.gz KABHOYQCXWZHAO-INIZCTEOSA-N 1 1 277.408 3.090 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+](C)CCOCC1CC1 ZINC000093818558 345888500 /nfs/dbraw/zinc/88/85/00/345888500.db2.gz NFIAEEXZWQGWLC-UHFFFAOYSA-N 1 1 275.392 3.110 20 30 CGEDMO CC1(C)CC[N@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000093460227 345879884 /nfs/dbraw/zinc/87/98/84/345879884.db2.gz DQCKAAKQAWCLKO-UHFFFAOYSA-N 1 1 294.402 3.448 20 30 CGEDMO COC(=O)c1ccc(C[N@H+](CCC#N)CC(C)(C)C)cc1 ZINC000109812052 345943821 /nfs/dbraw/zinc/94/38/21/345943821.db2.gz VYKFYCSLYHDTKC-UHFFFAOYSA-N 1 1 288.391 3.235 20 30 CGEDMO COC(=O)c1ccc(C[N@@H+](CCC#N)CC(C)(C)C)cc1 ZINC000109812052 345943823 /nfs/dbraw/zinc/94/38/23/345943823.db2.gz VYKFYCSLYHDTKC-UHFFFAOYSA-N 1 1 288.391 3.235 20 30 CGEDMO C[C@H](C1CC1)[N@@H+](Cc1cc(F)ccc1C#N)C1CC1 ZINC000177264299 232360623 /nfs/dbraw/zinc/36/06/23/232360623.db2.gz ADVAJBLTCYQNMQ-LLVKDONJSA-N 1 1 258.340 3.460 20 30 CGEDMO CC[N@H+]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)C[C@@H]1C ZINC000164467832 346182432 /nfs/dbraw/zinc/18/24/32/346182432.db2.gz BTWYGGAGESKANQ-NSHDSACASA-N 1 1 297.324 3.107 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCS[C@H](C)[C@@H]1C ZINC000165509002 346184957 /nfs/dbraw/zinc/18/49/57/346184957.db2.gz MZPFAPSVWKELME-QWHCGFSZSA-N 1 1 260.406 3.193 20 30 CGEDMO CC(C)(C#N)CCCCN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000365433298 346548455 /nfs/dbraw/zinc/54/84/55/346548455.db2.gz QPRIWWQHBDUYKN-MRXNPFEDSA-N 1 1 277.456 3.124 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000397653004 346584243 /nfs/dbraw/zinc/58/42/43/346584243.db2.gz UMQSTFBVWJZQEJ-QWHCGFSZSA-N 1 1 256.340 3.438 20 30 CGEDMO CS[C@H]1CC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000449446777 346619074 /nfs/dbraw/zinc/61/90/74/346619074.db2.gz TXTJLMHHGLGQPD-INIZCTEOSA-N 1 1 290.432 3.306 20 30 CGEDMO C#CC[N@@H+](CC)[C@H](C)C(=O)Nc1c(CC)cccc1CC ZINC000490778283 346627383 /nfs/dbraw/zinc/62/73/83/346627383.db2.gz CNPNGCILNXQOJT-CQSZACIVSA-N 1 1 286.419 3.094 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)C(=O)Nc1c(CC)cccc1CC ZINC000490778283 346627385 /nfs/dbraw/zinc/62/73/85/346627385.db2.gz CNPNGCILNXQOJT-CQSZACIVSA-N 1 1 286.419 3.094 20 30 CGEDMO CC[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(C#N)cn1 ZINC000584728729 346710865 /nfs/dbraw/zinc/71/08/65/346710865.db2.gz VITMXJHZZUOVNY-SFHVURJKSA-N 1 1 277.371 3.290 20 30 CGEDMO Cc1cc(N2CCCCC2)c(C#N)c(N2CCCCC2)[nH+]1 ZINC000589101614 346782821 /nfs/dbraw/zinc/78/28/21/346782821.db2.gz CSPUTALGSRKXJB-UHFFFAOYSA-N 1 1 284.407 3.242 20 30 CGEDMO N#Cc1ccc(C2(NCCC[NH+]3CCCCC3)CCC2)cc1 ZINC000594032861 347141220 /nfs/dbraw/zinc/14/12/20/347141220.db2.gz BDALHLKNPYJAEI-UHFFFAOYSA-N 1 1 297.446 3.403 20 30 CGEDMO COc1ccc(C[NH2+]CC2(C#N)CCCCC2)c(OC)c1 ZINC000594995443 347251750 /nfs/dbraw/zinc/25/17/50/347251750.db2.gz QJWDDNQCQDCVFC-UHFFFAOYSA-N 1 1 288.391 3.267 20 30 CGEDMO N#CC1(C[NH2+]Cc2cccc3c2NCC3)CCCCC1 ZINC000594739389 347216064 /nfs/dbraw/zinc/21/60/64/347216064.db2.gz PLKRZJRIPRVIDZ-UHFFFAOYSA-N 1 1 269.392 3.218 20 30 CGEDMO C[C@@H](C[NH+]1CCCCC1)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594914237 347228092 /nfs/dbraw/zinc/22/80/92/347228092.db2.gz GINWXVPZBYETQO-INIZCTEOSA-N 1 1 297.446 3.206 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCc3sccc3C2)cc1 ZINC000595285877 347286266 /nfs/dbraw/zinc/28/62/66/347286266.db2.gz AUEZFPGSVYHHJO-UHFFFAOYSA-N 1 1 268.385 3.221 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000595327582 347292122 /nfs/dbraw/zinc/29/21/22/347292122.db2.gz PXODWQWLBXASAE-IRXDYDNUSA-N 1 1 254.377 3.365 20 30 CGEDMO C[C@H](CC#N)[N@H+](C)CCc1nsc2ccccc21 ZINC000595344323 347294570 /nfs/dbraw/zinc/29/45/70/347294570.db2.gz MDIVCCBYVJYUNW-LLVKDONJSA-N 1 1 259.378 3.073 20 30 CGEDMO C[C@H](CC#N)[N@@H+](C)CCc1nsc2ccccc21 ZINC000595344323 347294572 /nfs/dbraw/zinc/29/45/72/347294572.db2.gz MDIVCCBYVJYUNW-LLVKDONJSA-N 1 1 259.378 3.073 20 30 CGEDMO CO[C@H](C[N@@H+](CCC#N)CCC(C)C)C1CCC1 ZINC000595342321 347295180 /nfs/dbraw/zinc/29/51/80/347295180.db2.gz ARWWHNMCUOCYLK-OAHLLOKOSA-N 1 1 252.402 3.063 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCc3ccsc3C2)cc1 ZINC000595404321 347299151 /nfs/dbraw/zinc/29/91/51/347299151.db2.gz UUCCOWBFZUKSGD-UHFFFAOYSA-N 1 1 268.385 3.221 20 30 CGEDMO C[C@@H](N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(C#N)cc1F ZINC000595056876 347272284 /nfs/dbraw/zinc/27/22/84/347272284.db2.gz SAHTXWHVFXQUPA-OCCSQVGLSA-N 1 1 289.398 3.221 20 30 CGEDMO N#C[C@@H]1CCC[C@H](N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000595081206 347279486 /nfs/dbraw/zinc/27/94/86/347279486.db2.gz QXKMJANEQILWQG-OWCLPIDISA-N 1 1 275.440 3.065 20 30 CGEDMO N#C[C@@H]1CCC[C@H](N[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000595081206 347279489 /nfs/dbraw/zinc/27/94/89/347279489.db2.gz QXKMJANEQILWQG-OWCLPIDISA-N 1 1 275.440 3.065 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](CCOc2ccc(Cl)cc2)C1 ZINC000595611725 347326216 /nfs/dbraw/zinc/32/62/16/347326216.db2.gz NMAPPGBYHNFHPF-CYBMUJFWSA-N 1 1 278.783 3.344 20 30 CGEDMO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](CC#N)C2)c1C ZINC000595609460 347326339 /nfs/dbraw/zinc/32/63/39/347326339.db2.gz KFJKXTOIZLOBJX-JKSUJKDBSA-N 1 1 299.418 3.256 20 30 CGEDMO Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](CC#N)C2)c1C ZINC000595609460 347326341 /nfs/dbraw/zinc/32/63/41/347326341.db2.gz KFJKXTOIZLOBJX-JKSUJKDBSA-N 1 1 299.418 3.256 20 30 CGEDMO CO[C@@H](C[N@H+]1CCC[C@H](CC#N)C1)C1CCCCC1 ZINC000595613730 347327422 /nfs/dbraw/zinc/32/74/22/347327422.db2.gz AKMIWVLVYFKOCM-ZBFHGGJFSA-N 1 1 264.413 3.207 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](CCc2cccc(F)c2F)C1 ZINC000595619540 347328593 /nfs/dbraw/zinc/32/85/93/347328593.db2.gz CSWMYBNULYFQJH-GFCCVEGCSA-N 1 1 264.319 3.133 20 30 CGEDMO CC(C)(C)OC(=O)CCCC[N@H+]1CCC[C@H](CC#N)C1 ZINC000595620256 347328714 /nfs/dbraw/zinc/32/87/14/347328714.db2.gz LEAPIWMBJJSHHO-CQSZACIVSA-N 1 1 280.412 3.124 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595627467 347330530 /nfs/dbraw/zinc/33/05/30/347330530.db2.gz ZUOMPAXUVKDCIO-GUYCJALGSA-N 1 1 270.376 3.120 20 30 CGEDMO CC(C)([NH2+]Cc1noc2c1CCCC2)c1cccc(C#N)c1 ZINC000595635348 347331259 /nfs/dbraw/zinc/33/12/59/347331259.db2.gz JEUIVNODAVDANY-UHFFFAOYSA-N 1 1 295.386 3.450 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cc(C(=O)OC)c(C)o2)C1 ZINC000595661392 347335694 /nfs/dbraw/zinc/33/56/94/347335694.db2.gz ZYUPLCPWZIFOBX-ZDUSSCGKSA-N 1 1 277.364 3.163 20 30 CGEDMO Cc1cc(C[N@@H+]2CC3(CCCC3)OC[C@@H]2C)ccc1C#N ZINC000595813614 347358834 /nfs/dbraw/zinc/35/88/34/347358834.db2.gz AFSZPFCVGNCATK-HNNXBMFYSA-N 1 1 284.403 3.400 20 30 CGEDMO C[C@@H](CO)[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000595679800 347336566 /nfs/dbraw/zinc/33/65/66/347336566.db2.gz YKWIRYKBGPMZOB-LRDDRELGSA-N 1 1 292.810 3.195 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](CCF)C1 ZINC000595757130 347351173 /nfs/dbraw/zinc/35/11/73/347351173.db2.gz ZQVLJABOJHOUOS-LBPRGKRZSA-N 1 1 264.319 3.269 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000595757130 347351178 /nfs/dbraw/zinc/35/11/78/347351178.db2.gz ZQVLJABOJHOUOS-LBPRGKRZSA-N 1 1 264.319 3.269 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H](CCF)C1 ZINC000595755974 347351814 /nfs/dbraw/zinc/35/18/14/347351814.db2.gz SAWCEIYHFBTPNE-LBPRGKRZSA-N 1 1 264.319 3.269 20 30 CGEDMO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000595755974 347351817 /nfs/dbraw/zinc/35/18/17/347351817.db2.gz SAWCEIYHFBTPNE-LBPRGKRZSA-N 1 1 264.319 3.269 20 30 CGEDMO C=CC[N@H+](Cc1csc([N+](=O)[O-])c1)C(C)(C)C ZINC000595763136 347352454 /nfs/dbraw/zinc/35/24/54/347352454.db2.gz HYOZGMGGCAZNOP-UHFFFAOYSA-N 1 1 254.355 3.443 20 30 CGEDMO C=CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C(C)(C)C ZINC000595763136 347352456 /nfs/dbraw/zinc/35/24/56/347352456.db2.gz HYOZGMGGCAZNOP-UHFFFAOYSA-N 1 1 254.355 3.443 20 30 CGEDMO COc1ccc2c(c1)CC[N@H+](Cc1ccc(C#N)cc1C)C2 ZINC000595760260 347352598 /nfs/dbraw/zinc/35/25/98/347352598.db2.gz SFDPOGJYNAWIAO-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO C=CC[N@H+](CCC(=O)Nc1sccc1C#N)C(C)(C)C ZINC000595762819 347352627 /nfs/dbraw/zinc/35/26/27/347352627.db2.gz HDJCZWMFIZRKAF-UHFFFAOYSA-N 1 1 291.420 3.235 20 30 CGEDMO C=CC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C(C)(C)C ZINC000595766109 347353403 /nfs/dbraw/zinc/35/34/03/347353403.db2.gz SEYOKNKAEDQSKG-UHFFFAOYSA-N 1 1 296.374 3.395 20 30 CGEDMO C=CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)(C)C ZINC000595766709 347353547 /nfs/dbraw/zinc/35/35/47/347353547.db2.gz ZGJPFDZXUZYKCY-UHFFFAOYSA-N 1 1 288.351 3.258 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595781892 347355061 /nfs/dbraw/zinc/35/50/61/347355061.db2.gz UZWWGIYCJHBSHK-HZSPNIEDSA-N 1 1 258.365 3.119 20 30 CGEDMO C[C@@H]1C[N@@H+](CCc2ccc(C#N)cc2)CCC1(F)F ZINC000595490379 347310645 /nfs/dbraw/zinc/31/06/45/347310645.db2.gz QXQLZYLSLMLMDC-GFCCVEGCSA-N 1 1 264.319 3.078 20 30 CGEDMO CC[N@@H+](CCc1ccc(C#N)cc1)[C@H]1CCOC(C)(C)C1 ZINC000595491175 347311327 /nfs/dbraw/zinc/31/13/27/347311327.db2.gz UKONISOPJYJYBQ-KRWDZBQOSA-N 1 1 286.419 3.380 20 30 CGEDMO C[C@H]1CN([C@H](C#N)c2ccccc2)CC[N@H+](C2CCC2)C1 ZINC000595503007 347312256 /nfs/dbraw/zinc/31/22/56/347312256.db2.gz YQSVTFXNABQISN-CRAIPNDOSA-N 1 1 283.419 3.057 20 30 CGEDMO N#CC1(C[NH+]2CCC3(CCc4ccccc4O3)CC2)CC1 ZINC000595827759 347361661 /nfs/dbraw/zinc/36/16/61/347361661.db2.gz HJNKVTFLLIXGPJ-UHFFFAOYSA-N 1 1 282.387 3.150 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000595839435 347364479 /nfs/dbraw/zinc/36/44/79/347364479.db2.gz XWHXFOFMWAMYDD-OAHLLOKOSA-N 1 1 299.374 3.479 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000595839435 347364480 /nfs/dbraw/zinc/36/44/80/347364480.db2.gz XWHXFOFMWAMYDD-OAHLLOKOSA-N 1 1 299.374 3.479 20 30 CGEDMO CC(C)(C)[N@H+]1CC[C@H]1CNc1nc2c(cc1C#N)CCCC2 ZINC000596305886 347414192 /nfs/dbraw/zinc/41/41/92/347414192.db2.gz CAJLFIAZAZIEAQ-HNNXBMFYSA-N 1 1 298.434 3.117 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C(=O)OC)c1ccccc1C ZINC000595845905 347367330 /nfs/dbraw/zinc/36/73/30/347367330.db2.gz VXGIHLRZHCEFIR-HLLBOEOZSA-N 1 1 285.387 3.392 20 30 CGEDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1F ZINC000595856279 347368258 /nfs/dbraw/zinc/36/82/58/347368258.db2.gz AGLCSSXMNTWSDY-PHTAMDTFSA-N 1 1 258.340 3.460 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+](CCC1CC1)CC1CC1 ZINC000595870408 347368756 /nfs/dbraw/zinc/36/87/56/347368756.db2.gz BTOANKYPFWYRHS-UHFFFAOYSA-N 1 1 299.374 3.479 20 30 CGEDMO CCC[N@@H+](C)CC(C)(C)NCc1ccc(C#N)cc1Cl ZINC000595872668 347369056 /nfs/dbraw/zinc/36/90/56/347369056.db2.gz DTFLABVYWBYFOY-UHFFFAOYSA-N 1 1 293.842 3.422 20 30 CGEDMO C[N@@H+](CCCC1(C#N)CCOCC1)C[C@@H]1CC1(C)C ZINC000595907886 347370952 /nfs/dbraw/zinc/37/09/52/347370952.db2.gz CIAIJPUBLGATKU-AWEZNQCLSA-N 1 1 264.413 3.065 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)C[C@H]1CC1(C)C ZINC000595910175 347371794 /nfs/dbraw/zinc/37/17/94/347371794.db2.gz RHJBTGIIELJQBG-CQSZACIVSA-N 1 1 258.365 3.045 20 30 CGEDMO CC1(C)C[C@]1([NH2+]Cc1ccncc1C#N)c1ccccc1 ZINC000595908019 347371878 /nfs/dbraw/zinc/37/18/78/347371878.db2.gz DTEXSUVOWLMLPD-SFHVURJKSA-N 1 1 277.371 3.368 20 30 CGEDMO Cc1cc(NC2CCC2)c(C#N)c(NC2CCC2)[nH+]1 ZINC000596121114 347385328 /nfs/dbraw/zinc/38/53/28/347385328.db2.gz KGRIUYLOAIBYMD-UHFFFAOYSA-N 1 1 256.353 3.191 20 30 CGEDMO Cc1cc(C#N)cc(N[C@@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000596478673 347464964 /nfs/dbraw/zinc/46/49/64/347464964.db2.gz IMOQRPKWQMRKSS-OAHLLOKOSA-N 1 1 284.407 3.081 20 30 CGEDMO CCOc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1OC ZINC000597175076 347544421 /nfs/dbraw/zinc/54/44/21/347544421.db2.gz VPSYBZWGKPVBKU-AWEZNQCLSA-N 1 1 288.391 3.220 20 30 CGEDMO Cn1ncc(C2CCC2)c1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000596978735 347523889 /nfs/dbraw/zinc/52/38/89/347523889.db2.gz BJFYHFJSQHSPOP-UHFFFAOYSA-N 1 1 294.402 3.191 20 30 CGEDMO Cn1ncc(C2CCC2)c1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000596978735 347523891 /nfs/dbraw/zinc/52/38/91/347523891.db2.gz BJFYHFJSQHSPOP-UHFFFAOYSA-N 1 1 294.402 3.191 20 30 CGEDMO Cc1ncc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)n1C ZINC000596979200 347523907 /nfs/dbraw/zinc/52/39/07/347523907.db2.gz IPEIMMCMHIYAQO-UHFFFAOYSA-N 1 1 282.391 3.011 20 30 CGEDMO CC[N@@H+](Cc1cnn2c1CCC2)[C@H](C)c1ccc(C#N)cc1 ZINC000596984253 347524949 /nfs/dbraw/zinc/52/49/49/347524949.db2.gz RYBACNGXCFUMET-CQSZACIVSA-N 1 1 294.402 3.284 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CCS1 ZINC000596995879 347525591 /nfs/dbraw/zinc/52/55/91/347525591.db2.gz NUWOEIFOWCJHII-CYBMUJFWSA-N 1 1 272.417 3.179 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3CC[C@@H]([C@@H]4CCOC4)C3)cc2)CC1 ZINC000597023016 347528817 /nfs/dbraw/zinc/52/88/17/347528817.db2.gz YILGFTCHOWSASX-IAGOWNOFSA-N 1 1 296.414 3.100 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3CC[C@@]4(C3)CCCOC4)cc2)CC1 ZINC000597120621 347537350 /nfs/dbraw/zinc/53/73/50/347537350.db2.gz IBHXZZFXODFHRQ-GOSISDBHSA-N 1 1 296.414 3.244 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccnn1CC1CC1 ZINC000597156954 347541507 /nfs/dbraw/zinc/54/15/07/347541507.db2.gz CZINHBNMJIOTAV-CQSZACIVSA-N 1 1 294.402 3.358 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccnn1CC1CC1 ZINC000597156954 347541510 /nfs/dbraw/zinc/54/15/10/347541510.db2.gz CZINHBNMJIOTAV-CQSZACIVSA-N 1 1 294.402 3.358 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000597173596 347543394 /nfs/dbraw/zinc/54/33/94/347543394.db2.gz KTJXSGLQHRCVCM-CYBMUJFWSA-N 1 1 298.365 3.341 20 30 CGEDMO C[C@H](CCc1cccc(F)c1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597232748 347559553 /nfs/dbraw/zinc/55/95/53/347559553.db2.gz WRWDLMWYEVADDB-CJNGLKHVSA-N 1 1 260.356 3.382 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000597258690 347563831 /nfs/dbraw/zinc/56/38/31/347563831.db2.gz QXJWTWSXSWBKKV-UHFFFAOYSA-N 1 1 274.412 3.124 20 30 CGEDMO C[C@@]1(C2CC2)C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000597180485 347546184 /nfs/dbraw/zinc/54/61/84/347546184.db2.gz UFGJOKFWPRVMOH-SFHVURJKSA-N 1 1 296.414 3.243 20 30 CGEDMO C[C@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(C#N)cc1 ZINC000598955155 347700823 /nfs/dbraw/zinc/70/08/23/347700823.db2.gz GVBIGBNWQCYOKU-BBRMVZONSA-N 1 1 271.408 3.082 20 30 CGEDMO C[C@H]([NH2+][C@H]1CCN(C)C(C)(C)C1)c1ccc(C#N)cc1 ZINC000598955155 347700830 /nfs/dbraw/zinc/70/08/30/347700830.db2.gz GVBIGBNWQCYOKU-BBRMVZONSA-N 1 1 271.408 3.082 20 30 CGEDMO C[N@H+]1CC[C@@H](NCc2ccc(C#N)c(Cl)c2)CC1(C)C ZINC000598980838 347702937 /nfs/dbraw/zinc/70/29/37/347702937.db2.gz YPTXKADOMPTVHM-CQSZACIVSA-N 1 1 291.826 3.174 20 30 CGEDMO CN1CC[C@@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)CC1(C)C ZINC000598980838 347702946 /nfs/dbraw/zinc/70/29/46/347702946.db2.gz YPTXKADOMPTVHM-CQSZACIVSA-N 1 1 291.826 3.174 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@@H+](Cc1ccccc1F)C1CC1 ZINC000598584530 347666334 /nfs/dbraw/zinc/66/63/34/347666334.db2.gz MUMVRSGJMHGFAI-HNNXBMFYSA-N 1 1 290.382 3.091 20 30 CGEDMO CC(C)C[N@H+](Cc1ccccc1)C[C@@H](O)CC(C)(C)C#N ZINC000598588636 347667389 /nfs/dbraw/zinc/66/73/89/347667389.db2.gz AFCPXCZVFYPHMH-KRWDZBQOSA-N 1 1 288.435 3.445 20 30 CGEDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598592444 347667488 /nfs/dbraw/zinc/66/74/88/347667488.db2.gz ISDIREUEFFAOEO-OIISXLGYSA-N 1 1 286.419 3.165 20 30 CGEDMO CCC1CCC([N@@H+](C)C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598591429 347667549 /nfs/dbraw/zinc/66/75/49/347667549.db2.gz AXHHQZZXRFSCEQ-YMAMQOFZSA-N 1 1 266.429 3.188 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCCC2(CCCCC2)C1 ZINC000598588374 347667586 /nfs/dbraw/zinc/66/75/86/347667586.db2.gz KJJVTGWCOGXYDI-HNNXBMFYSA-N 1 1 278.440 3.333 20 30 CGEDMO Cc1nc(C)c([C@@H](C)[N@@H+](C)C[C@H](O)CC(C)(C)C#N)s1 ZINC000598589143 347667817 /nfs/dbraw/zinc/66/78/17/347667817.db2.gz RAFOYFRAOCPIRG-DGCLKSJQSA-N 1 1 295.452 3.054 20 30 CGEDMO Cc1ccc([C@H]2CCC[N@H+]2C[C@@H](O)CC(C)(C)C#N)o1 ZINC000598592120 347667851 /nfs/dbraw/zinc/66/78/51/347667851.db2.gz FXHOANYYHBMFPA-UONOGXRCSA-N 1 1 276.380 3.026 20 30 CGEDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598593303 347668533 /nfs/dbraw/zinc/66/85/33/347668533.db2.gz SHHFKJIZMSSFGF-DJIMGWMZSA-N 1 1 286.419 3.165 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000598596544 347669256 /nfs/dbraw/zinc/66/92/56/347669256.db2.gz SMZDYLQVMZIZSA-LSDHHAIUSA-N 1 1 292.810 3.388 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000598620202 347672458 /nfs/dbraw/zinc/67/24/58/347672458.db2.gz JOXIQMFOMONZEJ-UKRRQHHQSA-N 1 1 288.391 3.107 20 30 CGEDMO CC(C)(C)OC(=O)C(C)(C)[NH2+]CCCC(C)(C)C#N ZINC000599660656 347762217 /nfs/dbraw/zinc/76/22/17/347762217.db2.gz PPDWTIFTZFEPAK-UHFFFAOYSA-N 1 1 268.401 3.026 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCCC2(CC2)CC1 ZINC000599673077 347763080 /nfs/dbraw/zinc/76/30/80/347763080.db2.gz MHVQWRQEHQYXJM-UHFFFAOYSA-N 1 1 285.347 3.233 20 30 CGEDMO Cc1ncc(C[N@@H+]2CCc3c(CC#N)cccc3C2)s1 ZINC000599679465 347765381 /nfs/dbraw/zinc/76/53/81/347765381.db2.gz SZVTYFDESCQUJI-UHFFFAOYSA-N 1 1 283.400 3.076 20 30 CGEDMO Cc1ncc(C[N@H+]2CCc3c(CC#N)cccc3C2)s1 ZINC000599679465 347765383 /nfs/dbraw/zinc/76/53/83/347765383.db2.gz SZVTYFDESCQUJI-UHFFFAOYSA-N 1 1 283.400 3.076 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1C#N ZINC000599268066 347730020 /nfs/dbraw/zinc/73/00/20/347730020.db2.gz XLNLYNJERBIHLV-LJQANCHMSA-N 1 1 292.382 3.440 20 30 CGEDMO Cc1ccc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1C#N ZINC000599268066 347730024 /nfs/dbraw/zinc/73/00/24/347730024.db2.gz XLNLYNJERBIHLV-LJQANCHMSA-N 1 1 292.382 3.440 20 30 CGEDMO Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1C#N ZINC000599431378 347743663 /nfs/dbraw/zinc/74/36/63/347743663.db2.gz GRDXFAVYQTZFTJ-IPMKNSEASA-N 1 1 298.430 3.382 20 30 CGEDMO N#CCCC[N@@H+](Cc1ccccc1)C1(CO)CCCC1 ZINC000599431229 347743838 /nfs/dbraw/zinc/74/38/38/347743838.db2.gz APQLZKXZIJNVJH-UHFFFAOYSA-N 1 1 272.392 3.097 20 30 CGEDMO Cc1ccc(C[N@@H+]2C[C@@H](C)OC3(CCCC3)C2)cc1C#N ZINC000599451794 347746308 /nfs/dbraw/zinc/74/63/08/347746308.db2.gz IJDHWAINRPQHNU-OAHLLOKOSA-N 1 1 284.403 3.400 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000599529891 347751287 /nfs/dbraw/zinc/75/12/87/347751287.db2.gz ROMZJKOYUJGFLM-NSHDSACASA-N 1 1 264.300 3.132 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1F ZINC000599553098 347753504 /nfs/dbraw/zinc/75/35/04/347753504.db2.gz NCBQJEAOCYBZEU-KGLIPLIRSA-N 1 1 276.380 3.167 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599586827 347755911 /nfs/dbraw/zinc/75/59/11/347755911.db2.gz JHMZZUSFIKKVMD-KBPBESRZSA-N 1 1 267.413 3.252 20 30 CGEDMO C[C@]1(C[N@H+]2Cc3ccc(C#N)cc3C2)CCCS1 ZINC000600176332 347789926 /nfs/dbraw/zinc/78/99/26/347789926.db2.gz LBCCGLZCRWIQBA-OAHLLOKOSA-N 1 1 258.390 3.160 20 30 CGEDMO N#Cc1ccc(-c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000600778404 347833828 /nfs/dbraw/zinc/83/38/28/347833828.db2.gz YFPMJUOUFGRPLE-UHFFFAOYSA-N 1 1 278.355 3.057 20 30 CGEDMO N#Cc1ccc(-c2ccc(CN3CCC([NH3+])CC3)cc2)cc1 ZINC000600778378 347833862 /nfs/dbraw/zinc/83/38/62/347833862.db2.gz XOCXQVIJFSCYTG-UHFFFAOYSA-N 1 1 291.398 3.148 20 30 CGEDMO Cc1ccc(-c2cccc(C[NH+]3CCOCC3)c2)cc1C#N ZINC000600793155 347837459 /nfs/dbraw/zinc/83/74/59/347837459.db2.gz LVTSGRURXFUYPO-UHFFFAOYSA-N 1 1 292.382 3.366 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([NH2+][C@H](CF)c2ccc(F)cc2)C1 ZINC000601318527 347891930 /nfs/dbraw/zinc/89/19/30/347891930.db2.gz NQVNTUVCXHRJQR-LERXQTSPSA-N 1 1 250.292 3.118 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C)CCOc1ccccc1F ZINC000602436973 347957837 /nfs/dbraw/zinc/95/78/37/347957837.db2.gz PQJUYYBMPFXSCL-ZDUSSCGKSA-N 1 1 264.344 3.076 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C)Cc1ccc(Br)o1 ZINC000602438778 347957895 /nfs/dbraw/zinc/95/78/95/347957895.db2.gz AECBUQVEAVDKHM-JTQLQIEISA-N 1 1 285.185 3.414 20 30 CGEDMO Cc1ccccc1C[N@@H+](Cc1cccc(C#N)n1)C1CC1 ZINC000602439397 347958191 /nfs/dbraw/zinc/95/81/91/347958191.db2.gz DXFPJDSCNUGBKH-UHFFFAOYSA-N 1 1 277.371 3.426 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000602475618 347964955 /nfs/dbraw/zinc/96/49/55/347964955.db2.gz LOZFTPCZWFHJDW-CRAIPNDOSA-N 1 1 284.403 3.100 20 30 CGEDMO CC(C)C[C@H]1CCC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602480772 347966320 /nfs/dbraw/zinc/96/63/20/347966320.db2.gz BTBZFNAJHWYJSC-CQSZACIVSA-N 1 1 257.381 3.211 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000602480925 347966475 /nfs/dbraw/zinc/96/64/75/347966475.db2.gz AGVNFGQZVWGODE-HUUCEWRRSA-N 1 1 294.439 3.370 20 30 CGEDMO CCC(CC)[C@@H](C[NH2+]C[C@H](C)CCC#N)N1CCCC1 ZINC000602509363 347973000 /nfs/dbraw/zinc/97/30/00/347973000.db2.gz GJYXDPUHGCWATM-NVXWUHKLSA-N 1 1 279.472 3.416 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+]1CCSC[C@@H]1c1nccs1 ZINC000602615077 347994817 /nfs/dbraw/zinc/99/48/17/347994817.db2.gz GQUBUYFHSBJMQL-VXGBXAGGSA-N 1 1 281.450 3.173 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCSC[C@@H]1c1nccs1 ZINC000602615077 347994819 /nfs/dbraw/zinc/99/48/19/347994819.db2.gz GQUBUYFHSBJMQL-VXGBXAGGSA-N 1 1 281.450 3.173 20 30 CGEDMO CCC1CCC([N@@H+](CCO)C[C@H](C)CCC#N)CC1 ZINC000602634238 347997875 /nfs/dbraw/zinc/99/78/75/347997875.db2.gz LKCMOCMZNOTNOO-QQFBHYJXSA-N 1 1 266.429 3.189 20 30 CGEDMO CCC[C@@]1(COC)CCC[N@H+]1C[C@@H](C)CCC#N ZINC000602637687 347998332 /nfs/dbraw/zinc/99/83/32/347998332.db2.gz OXBOYMWMIZAEDX-GJZGRUSLSA-N 1 1 252.402 3.207 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000602639070 347998402 /nfs/dbraw/zinc/99/84/02/347998402.db2.gz ZHCULPLYMCHFEA-KBPBESRZSA-N 1 1 291.370 3.004 20 30 CGEDMO C[C@@H](CCC#N)C[NH2+]CC(F)(F)c1ccccc1 ZINC000602642156 348000062 /nfs/dbraw/zinc/00/00/62/348000062.db2.gz IAZRRVHOCYXYBF-LBPRGKRZSA-N 1 1 252.308 3.308 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)n1)C[C@H]1CCc2ccccc21 ZINC000602726090 348018467 /nfs/dbraw/zinc/01/84/67/348018467.db2.gz ZHYHYKFKCKXEKU-OAHLLOKOSA-N 1 1 277.371 3.115 20 30 CGEDMO C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000602787493 348029697 /nfs/dbraw/zinc/02/96/97/348029697.db2.gz TYDHDFQXRDERPZ-DZOHQFGASA-N 1 1 284.403 3.183 20 30 CGEDMO CCOc1ccc(C[N@@H+](C)CC2(CC#N)CC2)cc1 ZINC000602761204 348024668 /nfs/dbraw/zinc/02/46/68/348024668.db2.gz VHMYMTMFOKTORK-UHFFFAOYSA-N 1 1 258.365 3.211 20 30 CGEDMO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CC1(CC#N)CC1 ZINC000602772807 348025983 /nfs/dbraw/zinc/02/59/83/348025983.db2.gz KPTNYFMWZXJDTJ-GOEBONIOSA-N 1 1 270.376 3.142 20 30 CGEDMO C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1CC1(CC#N)CC1 ZINC000602772807 348025988 /nfs/dbraw/zinc/02/59/88/348025988.db2.gz KPTNYFMWZXJDTJ-GOEBONIOSA-N 1 1 270.376 3.142 20 30 CGEDMO N#CCC1(C[N@@H+](CCCO)Cc2cccc(Cl)c2)CC1 ZINC000602798847 348030566 /nfs/dbraw/zinc/03/05/66/348030566.db2.gz YAJDDNMVDAAUDF-UHFFFAOYSA-N 1 1 292.810 3.218 20 30 CGEDMO N#CCC1(C[N@H+]2CC[C@@](F)(c3ccccc3)C2)CC1 ZINC000602824052 348034143 /nfs/dbraw/zinc/03/41/43/348034143.db2.gz LJQUVVNDAUIBPH-INIZCTEOSA-N 1 1 258.340 3.251 20 30 CGEDMO N#CCC1(C[N@@H+]2CC[C@@](F)(c3ccccc3)C2)CC1 ZINC000602824052 348034145 /nfs/dbraw/zinc/03/41/45/348034145.db2.gz LJQUVVNDAUIBPH-INIZCTEOSA-N 1 1 258.340 3.251 20 30 CGEDMO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1CC1(CC#N)CC1 ZINC000602835300 348034785 /nfs/dbraw/zinc/03/47/85/348034785.db2.gz ACRVCLWBVFZKFX-CQSZACIVSA-N 1 1 287.382 3.030 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1CC(C)(C)CO1 ZINC000602844669 348036379 /nfs/dbraw/zinc/03/63/79/348036379.db2.gz FUBKMIJYKZYYBH-CZUORRHYSA-N 1 1 272.392 3.366 20 30 CGEDMO C[C@H]1C[N@@H+](CC2(CC#N)CC2)CCc2ccc(F)cc21 ZINC000602865945 348038114 /nfs/dbraw/zinc/03/81/14/348038114.db2.gz BSPDUVIRKZFJND-ZDUSSCGKSA-N 1 1 272.367 3.481 20 30 CGEDMO CCn1nc(C)c(C[N@@H+](C)CCCC(C)(C)C#N)c1C ZINC000602926455 348045165 /nfs/dbraw/zinc/04/51/65/348045165.db2.gz RGSXQFVPKGKXQV-UHFFFAOYSA-N 1 1 276.428 3.282 20 30 CGEDMO C[C@@H]1CCCC[C@@H]1OCC[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602975864 348048591 /nfs/dbraw/zinc/04/85/91/348048591.db2.gz IDOPQXTUWYTLSG-FPCVCCKLSA-N 1 1 264.413 3.206 20 30 CGEDMO C[C@@H]1CCCC[C@@H]1OCC[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602975864 348048593 /nfs/dbraw/zinc/04/85/93/348048593.db2.gz IDOPQXTUWYTLSG-FPCVCCKLSA-N 1 1 264.413 3.206 20 30 CGEDMO C[N@H+](Cc1cc2ccccc2[nH]c1=O)[C@@H]1CCC[C@H]1C#N ZINC000602978856 348050069 /nfs/dbraw/zinc/05/00/69/348050069.db2.gz XNNHXAHSVHDESI-XJKSGUPXSA-N 1 1 281.359 3.064 20 30 CGEDMO C[N@@H+](Cc1cc2ccccc2[nH]c1=O)[C@@H]1CCC[C@H]1C#N ZINC000602978856 348050071 /nfs/dbraw/zinc/05/00/71/348050071.db2.gz XNNHXAHSVHDESI-XJKSGUPXSA-N 1 1 281.359 3.064 20 30 CGEDMO C[N@@H+](Cc1cccc2ncccc12)[C@H]1CCC[C@@H]1C#N ZINC000602981702 348051146 /nfs/dbraw/zinc/05/11/46/348051146.db2.gz IGONFCICRBKIQE-DYVFJYSZSA-N 1 1 265.360 3.359 20 30 CGEDMO C[N@@H+](CCCCC1CCOCC1)[C@@H]1CCC[C@H]1C#N ZINC000602982566 348051907 /nfs/dbraw/zinc/05/19/07/348051907.db2.gz UVWXAUHHDASDLT-JKSUJKDBSA-N 1 1 264.413 3.207 20 30 CGEDMO Cc1nccc([C@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)n1 ZINC000603834022 348097465 /nfs/dbraw/zinc/09/74/65/348097465.db2.gz DBKTXDDENOSBFW-KRWDZBQOSA-N 1 1 292.386 3.036 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cc(-c2ccc(OC)cc2)no1 ZINC000606436116 348183655 /nfs/dbraw/zinc/18/36/55/348183655.db2.gz PIEBREJEYFVDIG-UHFFFAOYSA-N 1 1 272.348 3.358 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@H]1O ZINC000351944297 219258042 /nfs/dbraw/zinc/25/80/42/219258042.db2.gz KLMOLNVSYOHXKA-AUUYWEPGSA-N 1 1 292.382 3.038 20 30 CGEDMO CCC[N@@H+](Cc1ccc(OC)cc1)C[C@H](C#N)CCC#N ZINC000609575005 348348252 /nfs/dbraw/zinc/34/82/52/348348252.db2.gz SCJWEGHGPPWZDQ-INIZCTEOSA-N 1 1 285.391 3.351 20 30 CGEDMO CCC[N@H+](Cc1ccc(OC)cc1)C[C@H](C#N)CCC#N ZINC000609575005 348348257 /nfs/dbraw/zinc/34/82/57/348348257.db2.gz SCJWEGHGPPWZDQ-INIZCTEOSA-N 1 1 285.391 3.351 20 30 CGEDMO Cc1ccc(C[N@H+](C)[C@@H](C)c2ccc(C#N)cc2)nc1 ZINC000610953118 348411378 /nfs/dbraw/zinc/41/13/78/348411378.db2.gz WGHVRDYZDCTMAV-AWEZNQCLSA-N 1 1 265.360 3.455 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)Cc1ccnc(C#N)c1 ZINC000610991620 348413763 /nfs/dbraw/zinc/41/37/63/348413763.db2.gz UKGKTRGURYNLFJ-UHFFFAOYSA-N 1 1 269.373 3.203 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccnc(C#N)c1 ZINC000610991620 348413768 /nfs/dbraw/zinc/41/37/68/348413768.db2.gz UKGKTRGURYNLFJ-UHFFFAOYSA-N 1 1 269.373 3.203 20 30 CGEDMO CO[C@H](C[NH2+]C[C@@H](C#N)CCC#N)c1ccccc1Cl ZINC000610783480 348403404 /nfs/dbraw/zinc/40/34/04/348403404.db2.gz YSGOFPHVAXBGRZ-IUODEOHRSA-N 1 1 291.782 3.061 20 30 CGEDMO COc1ccsc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000610803371 348403916 /nfs/dbraw/zinc/40/39/16/348403916.db2.gz SQUWVGJKRNXOOP-UHFFFAOYSA-N 1 1 276.336 3.057 20 30 CGEDMO COc1ccc(C[N@@H+](C)CC(C)(C)CCC#N)cc1OC ZINC000611252193 348431270 /nfs/dbraw/zinc/43/12/70/348431270.db2.gz HJACGOJUHTUOJC-UHFFFAOYSA-N 1 1 290.407 3.466 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2C[C@@H](C)C[C@H]2C)c1C#N ZINC000611348173 348440078 /nfs/dbraw/zinc/44/00/78/348440078.db2.gz RKLIEYFPIUIZDW-UONOGXRCSA-N 1 1 294.402 3.283 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2C[C@@H](C)C[C@H]2C)c1C#N ZINC000611348173 348440080 /nfs/dbraw/zinc/44/00/80/348440080.db2.gz RKLIEYFPIUIZDW-UONOGXRCSA-N 1 1 294.402 3.283 20 30 CGEDMO N#Cc1ccc(C[NH+]2CC(Cc3ccccc3)C2)c(F)c1 ZINC000611177995 348426028 /nfs/dbraw/zinc/42/60/28/348426028.db2.gz LENIGQBNPGXZEY-UHFFFAOYSA-N 1 1 280.346 3.372 20 30 CGEDMO N#Cc1csc(C[N@H+]2CC[C@H](Cc3ccncc3)C2)c1 ZINC000611983768 348485017 /nfs/dbraw/zinc/48/50/17/348485017.db2.gz JELNHCNUZFNENI-CQSZACIVSA-N 1 1 283.400 3.079 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000611390597 348444604 /nfs/dbraw/zinc/44/46/04/348444604.db2.gz KBPPQOGYFXDXMA-OTWHNJEPSA-N 1 1 295.430 3.152 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000611390597 348444606 /nfs/dbraw/zinc/44/46/06/348444606.db2.gz KBPPQOGYFXDXMA-OTWHNJEPSA-N 1 1 295.430 3.152 20 30 CGEDMO CC[C@H]([NH2+]Cc1ccnc(C#N)c1)c1cc(F)ccc1F ZINC000611396412 348446428 /nfs/dbraw/zinc/44/64/28/348446428.db2.gz GVIAEVKQDJYPNT-INIZCTEOSA-N 1 1 287.313 3.472 20 30 CGEDMO Cc1cc(C[C@@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)n[nH]1 ZINC000611394588 348446479 /nfs/dbraw/zinc/44/64/79/348446479.db2.gz RSWCQJFWJUWBSH-KZULUSFZSA-N 1 1 294.402 3.188 20 30 CGEDMO N#CCCCOc1cccc(C[N@@H+]2CC=CCC2)c1 ZINC000611521147 348458261 /nfs/dbraw/zinc/45/82/61/348458261.db2.gz GRCWPNFQGJXNJZ-UHFFFAOYSA-N 1 1 256.349 3.131 20 30 CGEDMO C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000612082853 348492166 /nfs/dbraw/zinc/49/21/66/348492166.db2.gz CKHDIPRRNRIXAN-MRXNPFEDSA-N 1 1 294.398 3.136 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)cc1 ZINC000612117670 348495928 /nfs/dbraw/zinc/49/59/28/348495928.db2.gz QVPGDADAAHRQTP-RTBURBONSA-N 1 1 298.430 3.391 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1 ZINC000612117668 348496026 /nfs/dbraw/zinc/49/60/26/348496026.db2.gz QVPGDADAAHRQTP-OALUTQOASA-N 1 1 298.430 3.391 20 30 CGEDMO C=C(C)CC[N@H+](CCC(=O)OC)Cc1ccccc1 ZINC000614166870 348654129 /nfs/dbraw/zinc/65/41/29/348654129.db2.gz URLJXSVOLXIZEI-UHFFFAOYSA-N 1 1 261.365 3.018 20 30 CGEDMO C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCSC1 ZINC000614177498 348655402 /nfs/dbraw/zinc/65/54/02/348655402.db2.gz PEYVDHPFMHSAJG-OAHLLOKOSA-N 1 1 274.433 3.425 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@H](O)C(C)(C)C2)cc1 ZINC000614996538 348706121 /nfs/dbraw/zinc/70/61/21/348706121.db2.gz JGWJSFMAMIKWDV-INIZCTEOSA-N 1 1 286.419 3.081 20 30 CGEDMO C=CC[C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC000617777929 349008365 /nfs/dbraw/zinc/00/83/65/349008365.db2.gz ZYYZNWABZXPQMH-CABCVRRESA-N 1 1 289.423 3.211 20 30 CGEDMO C=CC[NH+]1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000618453808 349086334 /nfs/dbraw/zinc/08/63/34/349086334.db2.gz UWMFXYRSZCKWJF-HTQZYQBOSA-N 1 1 261.209 3.235 20 30 CGEDMO Cn1ccnc1[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000618562036 349105975 /nfs/dbraw/zinc/10/59/75/349105975.db2.gz UAOPQKVEYYHAJX-BHYGNILZSA-N 1 1 294.402 3.181 20 30 CGEDMO CC(C)OC(=O)[C@@H]1CCC[N@H+]1CCCCC(C)(C)C#N ZINC000618287170 349067236 /nfs/dbraw/zinc/06/72/36/349067236.db2.gz NOXALRUJCXWWPG-AWEZNQCLSA-N 1 1 280.412 3.122 20 30 CGEDMO Cc1cc(C[N@H+](C)[C@H]2CCCc3c2cnn3C)ccc1C#N ZINC000618594239 349116057 /nfs/dbraw/zinc/11/60/57/349116057.db2.gz VYMOIEIIKPROCR-KRWDZBQOSA-N 1 1 294.402 3.110 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000618666139 349136768 /nfs/dbraw/zinc/13/67/68/349136768.db2.gz WBAYRZUYIKVPTA-WMLDXEAASA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC1(NC(=O)C[C@H](C)n2cc[nH+]c2CC)CCCC1 ZINC000619112291 349206581 /nfs/dbraw/zinc/20/65/81/349206581.db2.gz ZOCHCNSDEQBLFA-AWEZNQCLSA-N 1 1 289.423 3.402 20 30 CGEDMO C=CC(C)(C)CCNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000624465280 350048363 /nfs/dbraw/zinc/04/83/63/350048363.db2.gz KDFSHNKEMSYDAS-OAHLLOKOSA-N 1 1 295.471 3.008 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000625699803 350199006 /nfs/dbraw/zinc/19/90/06/350199006.db2.gz HMCMXVMYGFQDBC-HNNXBMFYSA-N 1 1 267.376 3.270 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(OC)ccc2OC)C1 ZINC000625702114 350199782 /nfs/dbraw/zinc/19/97/82/350199782.db2.gz DCVAVAXOULGRFK-CYBMUJFWSA-N 1 1 261.365 3.102 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cn3c(cccc3C)n2)C1 ZINC000625704021 350200713 /nfs/dbraw/zinc/20/07/13/350200713.db2.gz RCSNTUBALKFAHK-AWEZNQCLSA-N 1 1 255.365 3.041 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2noc(-c3ccc(OC)cc3)n2)C1 ZINC000625705223 350201029 /nfs/dbraw/zinc/20/10/29/350201029.db2.gz ZBHJHWFTKQASKC-CYBMUJFWSA-N 1 1 299.374 3.143 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2noc(-c3ccc(OC)cc3)n2)C1 ZINC000625705223 350201033 /nfs/dbraw/zinc/20/10/33/350201033.db2.gz ZBHJHWFTKQASKC-CYBMUJFWSA-N 1 1 299.374 3.143 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1 ZINC000625776167 350211532 /nfs/dbraw/zinc/21/15/32/350211532.db2.gz CWAZWGYLCHGSPL-CVEARBPZSA-N 1 1 275.392 3.147 20 30 CGEDMO CCC(O)(CC)C[N@@H+](C)CC#Cc1ccccc1Cl ZINC000626111388 350262155 /nfs/dbraw/zinc/26/21/55/350262155.db2.gz MQMXAEDWQPRMCO-UHFFFAOYSA-N 1 1 279.811 3.174 20 30 CGEDMO C=CCOc1c(Cl)cc(C[NH+]2CC(C)C2)cc1OC ZINC000628255342 350468568 /nfs/dbraw/zinc/46/85/68/350468568.db2.gz JZAHSVLCHBFQDU-UHFFFAOYSA-N 1 1 281.783 3.365 20 30 CGEDMO C=CCc1cc(Cn2c[nH+]c3c2CCCC3)cc(OC)c1O ZINC000628371238 350517707 /nfs/dbraw/zinc/51/77/07/350517707.db2.gz LMHZMNATYRIRLM-UHFFFAOYSA-N 1 1 298.386 3.253 20 30 CGEDMO C=CC(C)(C)CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000628314662 350496343 /nfs/dbraw/zinc/49/63/43/350496343.db2.gz IMDQLMQDWQULMT-HNNXBMFYSA-N 1 1 274.408 3.008 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cnn(-c3ccc(OC)cc3)c2)C1 ZINC000628406245 350529325 /nfs/dbraw/zinc/52/93/25/350529325.db2.gz FPJIJHPGBUYVSA-OAHLLOKOSA-N 1 1 297.402 3.279 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(OC)c(OCC)c2)C1 ZINC000628405543 350530122 /nfs/dbraw/zinc/53/01/22/350530122.db2.gz OBXUCQCDORKUDZ-CQSZACIVSA-N 1 1 275.392 3.492 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000630725128 350878654 /nfs/dbraw/zinc/87/86/54/350878654.db2.gz KMXWIWHIFDBDDP-QGZVFWFLSA-N 1 1 298.430 3.124 20 30 CGEDMO C=C[C@@H](C)[NH2+]Cc1ncc(Br)cc1Cl ZINC000631089181 350950365 /nfs/dbraw/zinc/95/03/65/350950365.db2.gz VCKUAKYNGAJUAZ-SSDOTTSWSA-N 1 1 275.577 3.162 20 30 CGEDMO CN(CC[N@@H+](C)Cc1ccc(C#N)s1)c1ccccc1 ZINC000123124828 187072860 /nfs/dbraw/zinc/07/28/60/187072860.db2.gz IIKLGJXWQQMJFL-UHFFFAOYSA-N 1 1 285.416 3.188 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)[C@H](C)c1ccccc1F ZINC000123182087 187076143 /nfs/dbraw/zinc/07/61/43/187076143.db2.gz YVCHMGOIKKJTDV-CHWSQXEVSA-N 1 1 251.345 3.146 20 30 CGEDMO C#CCOc1ccccc1C[NH2+][C@H](C)c1cncs1 ZINC000271490710 191171136 /nfs/dbraw/zinc/17/11/36/191171136.db2.gz OXFLGWSQIRWAAF-GFCCVEGCSA-N 1 1 272.373 3.006 20 30 CGEDMO Cc1nc(N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc1C#N ZINC000292089020 198159549 /nfs/dbraw/zinc/15/95/49/198159549.db2.gz YNEUTGASFGFVBV-ZBFHGGJFSA-N 1 1 298.434 3.327 20 30 CGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292110652 198166658 /nfs/dbraw/zinc/16/66/58/198166658.db2.gz HCGUSOKCHABJLO-PBHICJAKSA-N 1 1 293.370 3.168 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H]2c2cccnc2)c1F ZINC000336462021 213330544 /nfs/dbraw/zinc/33/05/44/213330544.db2.gz DSNKHHKUYJCYNE-INIZCTEOSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]2c2cccnc2)c1F ZINC000336462021 213330547 /nfs/dbraw/zinc/33/05/47/213330547.db2.gz DSNKHHKUYJCYNE-INIZCTEOSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1ccc(C[N@@H+](Cc2ccc(F)cc2)C2CC2)o1 ZINC000155234855 188192913 /nfs/dbraw/zinc/19/29/13/188192913.db2.gz OSMMWEWSJUHPTJ-UHFFFAOYSA-N 1 1 270.307 3.455 20 30 CGEDMO N#Cc1ccc(C[N@H+](Cc2ccc(F)cc2)C2CC2)o1 ZINC000155234855 188192914 /nfs/dbraw/zinc/19/29/14/188192914.db2.gz OSMMWEWSJUHPTJ-UHFFFAOYSA-N 1 1 270.307 3.455 20 30 CGEDMO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]C[C@@H](C#N)CCC#N ZINC000157639086 188329423 /nfs/dbraw/zinc/32/94/23/188329423.db2.gz AKDRKFPCHCLBLH-GXTWGEPZSA-N 1 1 287.411 3.041 20 30 CGEDMO N#CC1CCC(C[NH2+][C@@H]2C[C@H](N)c3ccccc32)CC1 ZINC000335024158 283049987 /nfs/dbraw/zinc/04/99/87/283049987.db2.gz XBJHWKYWWFZPHC-CXMPNGEBSA-N 1 1 269.392 3.051 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411848363 235085489 /nfs/dbraw/zinc/08/54/89/235085489.db2.gz NECQQFNSAPTFSF-CXAGYDPISA-N 1 1 270.376 3.120 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411848363 235085492 /nfs/dbraw/zinc/08/54/92/235085492.db2.gz NECQQFNSAPTFSF-CXAGYDPISA-N 1 1 270.376 3.120 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@H]2O)s1 ZINC000369596580 283139764 /nfs/dbraw/zinc/13/97/64/283139764.db2.gz JLQDILJOKMZIEU-BZUAXINKSA-N 1 1 290.432 3.135 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCc3ccc(F)cc3C2)c1 ZINC000179073475 283205859 /nfs/dbraw/zinc/20/58/59/283205859.db2.gz UDFORGARRCFHDN-UHFFFAOYSA-N 1 1 266.319 3.256 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCc3ccc(F)cc3C2)c1 ZINC000179073475 283205864 /nfs/dbraw/zinc/20/58/64/283205864.db2.gz UDFORGARRCFHDN-UHFFFAOYSA-N 1 1 266.319 3.256 20 30 CGEDMO N#Cc1ccccc1N1CCC[N@H+]([C@H]2C=CCCC2)CC1 ZINC000171733275 283215969 /nfs/dbraw/zinc/21/59/69/283215969.db2.gz GCECQAROLWSNAQ-KRWDZBQOSA-N 1 1 281.403 3.179 20 30 CGEDMO CSC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192077750 138477615 /nfs/dbraw/zinc/47/76/15/138477615.db2.gz VHJZCYNELQDVFW-ZDUSSCGKSA-N 1 1 264.369 3.025 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000425530425 236257558 /nfs/dbraw/zinc/25/75/58/236257558.db2.gz FLZDGMBQFDGRSW-RHSMWYFYSA-N 1 1 271.408 3.035 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000425530425 236257560 /nfs/dbraw/zinc/25/75/60/236257560.db2.gz FLZDGMBQFDGRSW-RHSMWYFYSA-N 1 1 271.408 3.035 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000336232907 213062168 /nfs/dbraw/zinc/06/21/68/213062168.db2.gz GYQRNNPARAVHPN-SMDDNHRTSA-N 1 1 298.308 3.008 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000336232907 213062170 /nfs/dbraw/zinc/06/21/70/213062170.db2.gz GYQRNNPARAVHPN-SMDDNHRTSA-N 1 1 298.308 3.008 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](CC3CCC(=O)CC3)CC2)cc1 ZINC000336199955 213019775 /nfs/dbraw/zinc/01/97/75/213019775.db2.gz XSDRXDJOXLPJRI-UHFFFAOYSA-N 1 1 294.398 3.407 20 30 CGEDMO CCC[N@@H+](C)C[C@H]1CCN(c2cccc(Cl)c2C#N)C1 ZINC000297280754 200133445 /nfs/dbraw/zinc/13/34/45/200133445.db2.gz XINQFRVGPWFDMA-CYBMUJFWSA-N 1 1 291.826 3.380 20 30 CGEDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437888300 237366161 /nfs/dbraw/zinc/36/61/61/237366161.db2.gz HQSCBXJPIXAHBH-GHMZBOCLSA-N 1 1 280.318 3.390 20 30 CGEDMO Cc1cccc(C[N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)c1C ZINC000298258899 200373788 /nfs/dbraw/zinc/37/37/88/200373788.db2.gz MAVDBTOVRCXQGE-IBGZPJMESA-N 1 1 294.398 3.341 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000178073798 189089321 /nfs/dbraw/zinc/08/93/21/189089321.db2.gz KRNRRHNJENRGBJ-JKSUJKDBSA-N 1 1 263.356 3.290 20 30 CGEDMO CO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(C#N)ccc2F)C12CCC2 ZINC000451835468 240367233 /nfs/dbraw/zinc/36/72/33/240367233.db2.gz OMAQOKWZWXYLTC-JKSUJKDBSA-N 1 1 288.366 3.087 20 30 CGEDMO C[C@H]1CCC[N@@H+](CCNc2c(Cl)cccc2C#N)C1 ZINC000301508362 201037469 /nfs/dbraw/zinc/03/74/69/201037469.db2.gz HRUZCBMCRFIGKX-LBPRGKRZSA-N 1 1 277.799 3.355 20 30 CGEDMO CC(C)C[N@H+]1CC[C@H](CNc2cccc(F)c2C#N)C1 ZINC000301624669 201102012 /nfs/dbraw/zinc/10/20/12/201102012.db2.gz ZLYPSQFMXBUCGA-CYBMUJFWSA-N 1 1 275.371 3.087 20 30 CGEDMO C=CCOc1cccc(C[NH2+][C@H](CCO)c2ccco2)c1 ZINC000184516324 189388288 /nfs/dbraw/zinc/38/82/88/189388288.db2.gz YSXSXSVZQXMKGD-MRXNPFEDSA-N 1 1 287.359 3.058 20 30 CGEDMO C[C@@]12C[N@@H+](Cc3ccc(C#N)s3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000449454451 239439382 /nfs/dbraw/zinc/43/93/82/239439382.db2.gz ZHXBDETWBYWPMZ-KOZAUXTDSA-N 1 1 270.401 3.264 20 30 CGEDMO CC[N@@H+](Cc1c[nH]nc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000119883024 370718545 /nfs/dbraw/zinc/71/85/45/370718545.db2.gz VDEATTUBSRJDCX-CYBMUJFWSA-N 1 1 268.364 3.173 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000537648734 376190241 /nfs/dbraw/zinc/19/02/41/376190241.db2.gz ZMJWMMYFSLIILC-HNNXBMFYSA-N 1 1 257.377 3.483 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000120827175 370804633 /nfs/dbraw/zinc/80/46/33/370804633.db2.gz DZNWASRUAGLKOD-MRXNPFEDSA-N 1 1 270.376 3.331 20 30 CGEDMO Cc1csc(C(C)(C)[NH2+]Cc2ccc(F)c(C#N)c2)n1 ZINC000121158393 370834629 /nfs/dbraw/zinc/83/46/29/370834629.db2.gz HFPDKWYADBLGNU-UHFFFAOYSA-N 1 1 289.379 3.487 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)Cc1cc(Cl)ccc1OC ZINC000121377082 370855522 /nfs/dbraw/zinc/85/55/22/370855522.db2.gz OVPKTTRCWZTPSR-CQSZACIVSA-N 1 1 283.799 3.108 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000121237416 370842545 /nfs/dbraw/zinc/84/25/45/370842545.db2.gz USNUBVGJVAUQDE-CHWSQXEVSA-N 1 1 251.395 3.212 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCOCC23CCCC3)c1 ZINC000537659017 376192151 /nfs/dbraw/zinc/19/21/51/376192151.db2.gz PPSSGYKSOURLMK-UHFFFAOYSA-N 1 1 287.403 3.396 20 30 CGEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)[C@H](CCO)c1ccccc1 ZINC000121553482 370872481 /nfs/dbraw/zinc/87/24/81/370872481.db2.gz ANDRLEJWVZMIDO-GOSISDBHSA-N 1 1 298.361 3.253 20 30 CGEDMO N#Cc1cc(C[NH+]2CCC(C(F)(F)F)CC2)ccc1F ZINC000121573962 370875545 /nfs/dbraw/zinc/87/55/45/370875545.db2.gz SNDPSPWLKMQDEI-UHFFFAOYSA-N 1 1 286.272 3.472 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000574247971 335003765 /nfs/dbraw/zinc/00/37/65/335003765.db2.gz YBJVYCYULBOVDB-DOTOQJQBSA-N 1 1 262.441 3.291 20 30 CGEDMO C=CCCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000574247971 335003766 /nfs/dbraw/zinc/00/37/66/335003766.db2.gz YBJVYCYULBOVDB-DOTOQJQBSA-N 1 1 262.441 3.291 20 30 CGEDMO COc1ccc(CCC[N@@H+](C)C[C@H](C#N)CCC#N)cc1 ZINC000127047208 370948614 /nfs/dbraw/zinc/94/86/14/370948614.db2.gz HYCPSIBFKLZNSP-INIZCTEOSA-N 1 1 285.391 3.003 20 30 CGEDMO C[C@H]1CCC[C@H]([N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000026468503 368859944 /nfs/dbraw/zinc/85/99/44/368859944.db2.gz MAQGNGTVHUTXTJ-BBRMVZONSA-N 1 1 285.391 3.007 20 30 CGEDMO C[C@H](c1cccs1)[N@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000027554333 368872039 /nfs/dbraw/zinc/87/20/39/368872039.db2.gz XPVSEKWUSYSGCX-GFCCVEGCSA-N 1 1 299.399 3.251 20 30 CGEDMO C[C@H](c1cccs1)[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000027554333 368872046 /nfs/dbraw/zinc/87/20/46/368872046.db2.gz XPVSEKWUSYSGCX-GFCCVEGCSA-N 1 1 299.399 3.251 20 30 CGEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCOc1cccc(C#N)c1 ZINC000034674267 368976235 /nfs/dbraw/zinc/97/62/35/368976235.db2.gz OFRQSLQASCWUEP-OKILXGFUSA-N 1 1 258.365 3.200 20 30 CGEDMO C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CCCCCC1 ZINC000036328543 369017222 /nfs/dbraw/zinc/01/72/22/369017222.db2.gz GFXAPEPSNWFXFB-QGZVFWFLSA-N 1 1 272.392 3.246 20 30 CGEDMO C[C@@H]([NH2+]Cc1cn2ccccc2n1)c1ccc(C#N)cc1 ZINC000037749584 369105113 /nfs/dbraw/zinc/10/51/13/369105113.db2.gz QDNOABVQOVXMHR-CYBMUJFWSA-N 1 1 276.343 3.057 20 30 CGEDMO COc1cccc(C[N@H+](C)Cc2ccccc2C#N)c1 ZINC000042268040 369209536 /nfs/dbraw/zinc/20/95/36/369209536.db2.gz FLIQDNZSAWSHQO-UHFFFAOYSA-N 1 1 266.344 3.199 20 30 CGEDMO COc1cccc(C[N@@H+](C)Cc2ccccc2C#N)c1 ZINC000042268040 369209541 /nfs/dbraw/zinc/20/95/41/369209541.db2.gz FLIQDNZSAWSHQO-UHFFFAOYSA-N 1 1 266.344 3.199 20 30 CGEDMO C[N@@H+](CCCC#N)Cc1ccccc1OC(F)(F)F ZINC000043645865 369256207 /nfs/dbraw/zinc/25/62/07/369256207.db2.gz OAKQYPIHTIGXAF-UHFFFAOYSA-N 1 1 272.270 3.321 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)N(Cc1ccccc1)C(C)C ZINC000052890394 369473464 /nfs/dbraw/zinc/47/34/64/369473464.db2.gz WSYUIFUUCTXSSS-UHFFFAOYSA-N 1 1 288.435 3.322 20 30 CGEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CCCC#N)C12CCCCC2 ZINC000127435055 370953219 /nfs/dbraw/zinc/95/32/19/370953219.db2.gz WSYLFLKQNRFPTE-HUUCEWRRSA-N 1 1 264.413 3.350 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC000128986112 370970580 /nfs/dbraw/zinc/97/05/80/370970580.db2.gz OPYKVFYQCIWEER-QGZVFWFLSA-N 1 1 277.383 3.160 20 30 CGEDMO C[N@@H+](CCc1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000055022867 369508560 /nfs/dbraw/zinc/50/85/60/369508560.db2.gz OTOPLQKBUYKMIW-UHFFFAOYSA-N 1 1 268.335 3.372 20 30 CGEDMO CC(C)C(N)=[NH+]O[C@@H](C)C(=O)Nc1ccccc1C(C)C ZINC000128463217 370962709 /nfs/dbraw/zinc/96/27/09/370962709.db2.gz GFFNDMGWNQLFQM-LBPRGKRZSA-N 1 1 291.395 3.082 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](OCC(C)C)C2)cc1 ZINC000537725201 376196632 /nfs/dbraw/zinc/19/66/32/376196632.db2.gz SAQSFSGGDONGQV-SFHVURJKSA-N 1 1 289.419 3.498 20 30 CGEDMO C=CCC[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1ccco1 ZINC000276466352 193343092 /nfs/dbraw/zinc/34/30/92/193343092.db2.gz OWZCCAZCXFLWEI-CYBMUJFWSA-N 1 1 299.436 3.090 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000276486258 193351331 /nfs/dbraw/zinc/35/13/31/193351331.db2.gz UDIDSPVWVCTINJ-NSHDSACASA-N 1 1 289.404 3.131 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC(=O)N1CCSc2ccccc21 ZINC000078954554 369956762 /nfs/dbraw/zinc/95/67/62/369956762.db2.gz HHMNQORBLXRSJY-UHFFFAOYSA-N 1 1 290.432 3.023 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)N1CCSc2ccccc21 ZINC000078954554 369956769 /nfs/dbraw/zinc/95/67/69/369956769.db2.gz HHMNQORBLXRSJY-UHFFFAOYSA-N 1 1 290.432 3.023 20 30 CGEDMO C=C(C)CN1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000077371293 369946725 /nfs/dbraw/zinc/94/67/25/369946725.db2.gz HNNZKDBLUVJQCY-MRXNPFEDSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(Cc2ccccc2)C[C@H]1C ZINC000077371293 369946730 /nfs/dbraw/zinc/94/67/30/369946730.db2.gz HNNZKDBLUVJQCY-MRXNPFEDSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(Cc2ccccc2)C[C@H]1C ZINC000077371293 369946734 /nfs/dbraw/zinc/94/67/34/369946734.db2.gz HNNZKDBLUVJQCY-MRXNPFEDSA-N 1 1 258.409 3.159 20 30 CGEDMO N#CCC[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000090664781 370063697 /nfs/dbraw/zinc/06/36/97/370063697.db2.gz YSKCGWHQUKCFGC-KSZLIROESA-N 1 1 283.419 3.248 20 30 CGEDMO C[N@@H+](CCOCc1ccccc1)CC(C)(C)CCC#N ZINC000091937143 370083695 /nfs/dbraw/zinc/08/36/95/370083695.db2.gz JAAXXVGDUDJBOL-UHFFFAOYSA-N 1 1 274.408 3.465 20 30 CGEDMO CC[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@H](C)C(C)C ZINC000092590263 370097939 /nfs/dbraw/zinc/09/79/39/370097939.db2.gz HRDHPFQZCYNMBS-CYBMUJFWSA-N 1 1 270.380 3.072 20 30 CGEDMO C[C@@H]([NH2+][C@@H](CN)C1CCCCC1)c1ccc(C#N)cc1 ZINC000423260949 296153238 /nfs/dbraw/zinc/15/32/38/296153238.db2.gz IWIWQDNDOJQSFU-DYVFJYSZSA-N 1 1 271.408 3.116 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1 ZINC000093506466 370137160 /nfs/dbraw/zinc/13/71/60/370137160.db2.gz LURAASCXQJMWML-IEBWSBKVSA-N 1 1 299.414 3.090 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)CCSC)cc1OC ZINC000093509539 370138657 /nfs/dbraw/zinc/13/86/57/370138657.db2.gz TXAIRLTUASIYAM-UHFFFAOYSA-N 1 1 281.421 3.055 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)C[C@@H]2CCOC2)cc1Cl ZINC000093839646 370163797 /nfs/dbraw/zinc/16/37/97/370163797.db2.gz HLRKEZRURNOSPB-AWEZNQCLSA-N 1 1 295.810 3.373 20 30 CGEDMO C=CCNC(=O)C[N@@H+]1CCCCC[C@H]1c1ccc(CC)o1 ZINC000097593578 370247088 /nfs/dbraw/zinc/24/70/88/370247088.db2.gz FSJCVAUEEBAMPU-HNNXBMFYSA-N 1 1 290.407 3.061 20 30 CGEDMO Cc1ccc(C[N@@H+](C)CCOc2ccccc2C#N)s1 ZINC000102772992 370311061 /nfs/dbraw/zinc/31/10/61/370311061.db2.gz CMYTUGDUDIJLAH-UHFFFAOYSA-N 1 1 286.400 3.439 20 30 CGEDMO CN(C)CC[C@@H]([NH2+]Cc1ccc(C#N)cc1)C(C)(C)C ZINC000116378689 370557866 /nfs/dbraw/zinc/55/78/66/370557866.db2.gz MCWJTYWLKWKPOL-MRXNPFEDSA-N 1 1 273.424 3.014 20 30 CGEDMO C[NH+](C)CC[C@@H](NCc1ccc(C#N)cc1)C(C)(C)C ZINC000116378689 370557873 /nfs/dbraw/zinc/55/78/73/370557873.db2.gz MCWJTYWLKWKPOL-MRXNPFEDSA-N 1 1 273.424 3.014 20 30 CGEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000130670575 371050909 /nfs/dbraw/zinc/05/09/09/371050909.db2.gz DBAJTMLGCCWFHO-MRXNPFEDSA-N 1 1 298.365 3.374 20 30 CGEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000130670575 371050915 /nfs/dbraw/zinc/05/09/15/371050915.db2.gz DBAJTMLGCCWFHO-MRXNPFEDSA-N 1 1 298.365 3.374 20 30 CGEDMO CC(C)[N@@H+](Cc1ccncc1)Cc1ccc(C#N)cc1 ZINC000130301807 371022784 /nfs/dbraw/zinc/02/27/84/371022784.db2.gz ONXZGTSETJXOPC-UHFFFAOYSA-N 1 1 265.360 3.364 20 30 CGEDMO CC[C@H](C)C[N@@H+](CC)Cc1cc(C#N)ccc1OC ZINC000130484711 371037498 /nfs/dbraw/zinc/03/74/98/371037498.db2.gz GJMLZASXDLAPKE-ZDUSSCGKSA-N 1 1 260.381 3.435 20 30 CGEDMO C=CCC[N@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000132476756 371177756 /nfs/dbraw/zinc/17/77/56/371177756.db2.gz ZMXHOZURJMDQTN-KRWDZBQOSA-N 1 1 252.361 3.469 20 30 CGEDMO N#CCCC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000134809388 371365652 /nfs/dbraw/zinc/36/56/52/371365652.db2.gz WKIRFTQJPWRALM-HZPDHXFCSA-N 1 1 276.355 3.017 20 30 CGEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@H](CO)C(C)(C)C ZINC000134417347 371334137 /nfs/dbraw/zinc/33/41/37/371334137.db2.gz ZRMSERAWFGMRFV-MRXNPFEDSA-N 1 1 288.435 3.327 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@@H](C)C2(C)CC2)cc1C#N ZINC000135138656 371394230 /nfs/dbraw/zinc/39/42/30/371394230.db2.gz BXVGHDMMKXYIII-LBPRGKRZSA-N 1 1 258.365 3.187 20 30 CGEDMO N#CC1CC[NH+](C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000135250210 371406589 /nfs/dbraw/zinc/40/65/89/371406589.db2.gz JWXSXUTVQYXLTE-AWEZNQCLSA-N 1 1 299.201 3.262 20 30 CGEDMO Cc1cnc([C@@H](C)[NH2+]Cc2cccc(C#N)c2)s1 ZINC000134905198 371373321 /nfs/dbraw/zinc/37/33/21/371373321.db2.gz MLFPASGRGKMLMD-LLVKDONJSA-N 1 1 257.362 3.174 20 30 CGEDMO CC[C@H](CC#N)N[C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000136959219 371488083 /nfs/dbraw/zinc/48/80/83/371488083.db2.gz XHAYOAAPEHSZPB-JQHSSLGASA-N 1 1 285.435 3.179 20 30 CGEDMO CC[C@H](CC#N)[NH2+][C@H]1C[C@H](C)CN(Cc2ccccc2)C1 ZINC000136959219 371488086 /nfs/dbraw/zinc/48/80/86/371488086.db2.gz XHAYOAAPEHSZPB-JQHSSLGASA-N 1 1 285.435 3.179 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000150876466 371544798 /nfs/dbraw/zinc/54/47/98/371544798.db2.gz BYMJGNGHLQSENH-KGLIPLIRSA-N 1 1 293.432 3.112 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)Nc1nccs1 ZINC000150874287 371544896 /nfs/dbraw/zinc/54/48/96/371544896.db2.gz UXQDSXKXYQKMTB-LBPRGKRZSA-N 1 1 281.425 3.148 20 30 CGEDMO CC(C)n1cc([C@H](C)[NH2+]Cc2ccc(C#N)cc2F)cn1 ZINC000151160142 371578842 /nfs/dbraw/zinc/57/88/42/371578842.db2.gz FBBIANZVESLQKV-LBPRGKRZSA-N 1 1 286.354 3.326 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ccnc(C#N)c2)C1 ZINC000287241394 371625842 /nfs/dbraw/zinc/62/58/42/371625842.db2.gz JNEQCRDZGDOZPE-CVEARBPZSA-N 1 1 298.434 3.044 20 30 CGEDMO C[N@H+]1CCC[C@@H](CNc2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000154046237 371812200 /nfs/dbraw/zinc/81/22/00/371812200.db2.gz NJUFIHXIVHSXHD-NSHDSACASA-N 1 1 297.324 3.331 20 30 CGEDMO C[N@H+]1CCC[C@H](CNc2ccc(C(F)(F)F)c(C#N)c2)C1 ZINC000154046115 371813033 /nfs/dbraw/zinc/81/30/33/371813033.db2.gz NJUFIHXIVHSXHD-LLVKDONJSA-N 1 1 297.324 3.331 20 30 CGEDMO CC[N@@H+](CC#Cc1ccc(F)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000289973303 371866797 /nfs/dbraw/zinc/86/67/97/371866797.db2.gz XEQNNOCNKXQUHE-QGZVFWFLSA-N 1 1 289.394 3.457 20 30 CGEDMO CN(C)c1ccccc1C[N@H+](C)Cc1cccc(C#N)c1F ZINC000344065161 217036120 /nfs/dbraw/zinc/03/61/20/217036120.db2.gz GFOZBKOPTZGQIK-UHFFFAOYSA-N 1 1 297.377 3.395 20 30 CGEDMO CN(C)c1ccccc1C[N@@H+](C)Cc1cccc(C#N)c1F ZINC000344065161 217036122 /nfs/dbraw/zinc/03/61/22/217036122.db2.gz GFOZBKOPTZGQIK-UHFFFAOYSA-N 1 1 297.377 3.395 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1F)C[C@H]1CC=CCC1 ZINC000344090662 217047476 /nfs/dbraw/zinc/04/74/76/217047476.db2.gz UVVLKVGGAGXORP-ZDUSSCGKSA-N 1 1 258.340 3.485 20 30 CGEDMO CC[C@H](CSC)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000290438448 371989683 /nfs/dbraw/zinc/98/96/83/371989683.db2.gz LSORIDCWBKLSGZ-SNVBAGLBSA-N 1 1 254.424 3.193 20 30 CGEDMO Cc1cccc(N2CCC(Oc3cccc(C#N)c3)CC2)[nH+]1 ZINC000290634856 372031761 /nfs/dbraw/zinc/03/17/61/372031761.db2.gz NBHUKPGWDZQKBF-UHFFFAOYSA-N 1 1 293.370 3.310 20 30 CGEDMO CCCC[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000158164070 372055969 /nfs/dbraw/zinc/05/59/69/372055969.db2.gz NURFUMVXSAKNDT-UHFFFAOYSA-N 1 1 259.397 3.268 20 30 CGEDMO C=C(C)C[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000158193805 372058004 /nfs/dbraw/zinc/05/80/04/372058004.db2.gz NYMRZXMGNOLKBI-UHFFFAOYSA-N 1 1 274.191 3.364 20 30 CGEDMO C[C@@H]1C[C@H](Nc2c(C#N)cnc3ccccc32)C[N@H+]1C1CC1 ZINC000290529774 372010813 /nfs/dbraw/zinc/01/08/13/372010813.db2.gz DBSHZMABSFRPRV-OCCSQVGLSA-N 1 1 292.386 3.144 20 30 CGEDMO CC[N@H+](Cc1ccc(C#N)o1)[C@@H](C)c1cccnc1 ZINC000290548855 372014565 /nfs/dbraw/zinc/01/45/65/372014565.db2.gz RRKCIHXQRTZTFU-LBPRGKRZSA-N 1 1 255.321 3.129 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)o1)[C@@H](C)c1cccnc1 ZINC000290548855 372014566 /nfs/dbraw/zinc/01/45/66/372014566.db2.gz RRKCIHXQRTZTFU-LBPRGKRZSA-N 1 1 255.321 3.129 20 30 CGEDMO C[N@H+](CCc1ccccc1O)Cc1ccc(F)cc1C#N ZINC000344199822 217095739 /nfs/dbraw/zinc/09/57/39/217095739.db2.gz SDASFZVLEWZRCM-UHFFFAOYSA-N 1 1 284.334 3.077 20 30 CGEDMO C[N@@H+](CCc1ccccc1O)Cc1ccc(F)cc1C#N ZINC000344199822 217095743 /nfs/dbraw/zinc/09/57/43/217095743.db2.gz SDASFZVLEWZRCM-UHFFFAOYSA-N 1 1 284.334 3.077 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000424664143 372091605 /nfs/dbraw/zinc/09/16/05/372091605.db2.gz LMLSAKLKQVNYLP-HNNXBMFYSA-N 1 1 288.435 3.225 20 30 CGEDMO C=CC[N@H+](CCCOCC)Cc1ccc(OC)cc1 ZINC000159464870 372146147 /nfs/dbraw/zinc/14/61/47/372146147.db2.gz UBLPUHLGPCMBCL-UHFFFAOYSA-N 1 1 263.381 3.110 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)CC(C)(C)COC ZINC000426051559 372148220 /nfs/dbraw/zinc/14/82/20/372148220.db2.gz UMGWVWUIVVSPCC-UHFFFAOYSA-N 1 1 253.411 3.409 20 30 CGEDMO CC[C@]1(C)CC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000344220600 217105856 /nfs/dbraw/zinc/10/58/56/217105856.db2.gz OJBUOAYVGBCQPW-CXAGYDPISA-N 1 1 285.391 3.007 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)c(OC)c1OC ZINC000426570703 372165341 /nfs/dbraw/zinc/16/53/41/372165341.db2.gz OARDPZHEXMGTPM-CQSZACIVSA-N 1 1 291.391 3.253 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000291803803 372175732 /nfs/dbraw/zinc/17/57/32/372175732.db2.gz NEYVZTMFBBOGRC-SFHVURJKSA-N 1 1 273.420 3.270 20 30 CGEDMO C[N@@H+](Cc1cccc(F)c1C#N)C1Cc2ccccc2C1 ZINC000428468916 372214856 /nfs/dbraw/zinc/21/48/56/372214856.db2.gz HPJFTYJSJIVWJJ-UHFFFAOYSA-N 1 1 280.346 3.297 20 30 CGEDMO CCc1nc(C)c(C[N@H+](C)Cc2ccc(C#N)cc2)o1 ZINC000428465502 372215372 /nfs/dbraw/zinc/21/53/72/372215372.db2.gz ZVKWCSWKBLNMLV-UHFFFAOYSA-N 1 1 269.348 3.049 20 30 CGEDMO CCc1nc(C)c(C[N@@H+](C)Cc2ccc(C#N)cc2)o1 ZINC000428465502 372215384 /nfs/dbraw/zinc/21/53/84/372215384.db2.gz ZVKWCSWKBLNMLV-UHFFFAOYSA-N 1 1 269.348 3.049 20 30 CGEDMO C=C(C)CC[N@@H+](CC(=O)OCC)Cc1ccccc1 ZINC000160195903 372223667 /nfs/dbraw/zinc/22/36/67/372223667.db2.gz MIJMVULJHCODSJ-UHFFFAOYSA-N 1 1 261.365 3.018 20 30 CGEDMO C=C(C)CC[N@H+](CC(=O)OCC)Cc1ccccc1 ZINC000160195903 372223673 /nfs/dbraw/zinc/22/36/73/372223673.db2.gz MIJMVULJHCODSJ-UHFFFAOYSA-N 1 1 261.365 3.018 20 30 CGEDMO CC(C)[N@@H+](Cc1cc(F)ccc1C#N)C1CCOCC1 ZINC000160566659 372257391 /nfs/dbraw/zinc/25/73/91/372257391.db2.gz YGCSNXMUZLGKJG-UHFFFAOYSA-N 1 1 276.355 3.087 20 30 CGEDMO C=CCN1CC[C@@H]([N@@H+](C(C)C)[C@H](C)c2ccccc2)C1=O ZINC000428864310 372272951 /nfs/dbraw/zinc/27/29/51/372272951.db2.gz SVJWNFZQIOEDJE-NVXWUHKLSA-N 1 1 286.419 3.245 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000429023131 372306193 /nfs/dbraw/zinc/30/61/93/372306193.db2.gz VAEUKDLGOMIOBL-LTIDMASMSA-N 1 1 264.457 3.393 20 30 CGEDMO C=CCCCCC[N@@H+]1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000429026013 372307963 /nfs/dbraw/zinc/30/79/63/372307963.db2.gz JBTROOALOFHJSI-YESZJQIVSA-N 1 1 264.457 3.395 20 30 CGEDMO C=CCCCCCN1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000429026013 372307968 /nfs/dbraw/zinc/30/79/68/372307968.db2.gz JBTROOALOFHJSI-YESZJQIVSA-N 1 1 264.457 3.395 20 30 CGEDMO C=CCCCCCN1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000429026013 372307978 /nfs/dbraw/zinc/30/79/78/372307978.db2.gz JBTROOALOFHJSI-YESZJQIVSA-N 1 1 264.457 3.395 20 30 CGEDMO COCC[N@@H+](CCCC(C)C)Cc1ccc(C#N)cc1 ZINC000429049121 372309516 /nfs/dbraw/zinc/30/95/16/372309516.db2.gz OLTXMDMTRPRMJM-UHFFFAOYSA-N 1 1 274.408 3.443 20 30 CGEDMO COCC(C)(C)[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000429246645 372327324 /nfs/dbraw/zinc/32/73/24/372327324.db2.gz HESKIHJXMACQCH-UHFFFAOYSA-N 1 1 298.333 3.016 20 30 CGEDMO C=CCOCC[N@@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000293345473 372361002 /nfs/dbraw/zinc/36/10/02/372361002.db2.gz DIWLHRHTBJIFKD-NSHDSACASA-N 1 1 255.308 3.160 20 30 CGEDMO C=CCOCC[N@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000293345473 372361009 /nfs/dbraw/zinc/36/10/09/372361009.db2.gz DIWLHRHTBJIFKD-NSHDSACASA-N 1 1 255.308 3.160 20 30 CGEDMO COC(=O)[C@H]1CC[N@@H+](CCCCC(C)(C)C#N)[C@H]1C(C)C ZINC000429366361 372356318 /nfs/dbraw/zinc/35/63/18/372356318.db2.gz LLKTVRUHTQKBFD-GJZGRUSLSA-N 1 1 294.439 3.226 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)N1CC[N@H+]([C@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000429004685 372303746 /nfs/dbraw/zinc/30/37/46/372303746.db2.gz IYCQMSHCJZPIPW-OLMMMNRUSA-N 1 1 297.446 3.281 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)Cc1ccc(Cl)cc1 ZINC000429706487 372377447 /nfs/dbraw/zinc/37/74/47/372377447.db2.gz GHHUMPVGQBGMKO-UHFFFAOYSA-N 1 1 266.816 3.280 20 30 CGEDMO C=CC[N@@H+](C)CCN(CC)Cc1ccc(Cl)cc1 ZINC000429706487 372377448 /nfs/dbraw/zinc/37/74/48/372377448.db2.gz GHHUMPVGQBGMKO-UHFFFAOYSA-N 1 1 266.816 3.280 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)Cc1ccc(Cl)cc1 ZINC000429706487 372377452 /nfs/dbraw/zinc/37/74/52/372377452.db2.gz GHHUMPVGQBGMKO-UHFFFAOYSA-N 1 1 266.816 3.280 20 30 CGEDMO C=CCN(CC[C@H]1CCC[N@@H+]1C)Cc1cccs1 ZINC000163406845 372466670 /nfs/dbraw/zinc/46/66/70/372466670.db2.gz GZAHSMIYMOUZEK-CQSZACIVSA-N 1 1 264.438 3.220 20 30 CGEDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433299607 372585144 /nfs/dbraw/zinc/58/51/44/372585144.db2.gz BZRKDVPXGDZDFP-LBPRGKRZSA-N 1 1 275.352 3.446 20 30 CGEDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433299607 372585149 /nfs/dbraw/zinc/58/51/49/372585149.db2.gz BZRKDVPXGDZDFP-LBPRGKRZSA-N 1 1 275.352 3.446 20 30 CGEDMO Cc1cc(-n2ccnc2)ccc1C[N@H+](C)CC(C)(C)C#N ZINC000433297103 372585205 /nfs/dbraw/zinc/58/52/05/372585205.db2.gz VETGQSCXWDPCIZ-UHFFFAOYSA-N 1 1 282.391 3.162 20 30 CGEDMO C[C@H](C#N)C[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000167109254 372590403 /nfs/dbraw/zinc/59/04/03/372590403.db2.gz CXLRELSRWMAONS-MRVPVSSYSA-N 1 1 260.234 3.094 20 30 CGEDMO C=CCOc1ccc(C[NH2+][C@H]2C[C@@H](C)n3ccnc32)cc1 ZINC000295198959 372698241 /nfs/dbraw/zinc/69/82/41/372698241.db2.gz JYFHRIWNDFRDLC-CJNGLKHVSA-N 1 1 283.375 3.244 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCOc3c(F)cccc3C2)cc1 ZINC000434615936 372693986 /nfs/dbraw/zinc/69/39/86/372693986.db2.gz OIOVNBHNSQQTNM-UHFFFAOYSA-N 1 1 296.345 3.286 20 30 CGEDMO N#CCc1ccc(C[N@@H+]2CCOc3c(F)cccc3C2)cc1 ZINC000434615936 372693994 /nfs/dbraw/zinc/69/39/94/372693994.db2.gz OIOVNBHNSQQTNM-UHFFFAOYSA-N 1 1 296.345 3.286 20 30 CGEDMO C[N@@H+](Cc1ccc(F)cc1C#N)C(C1CC1)C1CC1 ZINC000171382011 372747528 /nfs/dbraw/zinc/74/75/28/372747528.db2.gz NJSIXFWWJLEFNC-UHFFFAOYSA-N 1 1 258.340 3.318 20 30 CGEDMO CCC[N@@H+](CC)C[C@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000353479380 220106991 /nfs/dbraw/zinc/10/69/91/220106991.db2.gz AKCNWKZZMONFRC-GJZGRUSLSA-N 1 1 273.424 3.329 20 30 CGEDMO CCCN(CC)C[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000353479380 220106992 /nfs/dbraw/zinc/10/69/92/220106992.db2.gz AKCNWKZZMONFRC-GJZGRUSLSA-N 1 1 273.424 3.329 20 30 CGEDMO CCC[N@@H+](CC)C[C@H](C)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353486814 220111585 /nfs/dbraw/zinc/11/15/85/220111585.db2.gz ZGXTZBJSDQMULO-KBXCAEBGSA-N 1 1 285.435 3.256 20 30 CGEDMO CCCN(CC)C[C@H](C)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353486814 220111588 /nfs/dbraw/zinc/11/15/88/220111588.db2.gz ZGXTZBJSDQMULO-KBXCAEBGSA-N 1 1 285.435 3.256 20 30 CGEDMO C=CCCCN(C)C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000439204460 372974980 /nfs/dbraw/zinc/97/49/80/372974980.db2.gz ZTCAPLKVEGRVRB-MRXNPFEDSA-N 1 1 295.471 3.105 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000440920776 372995014 /nfs/dbraw/zinc/99/50/14/372995014.db2.gz VAIRLFYWGCJWNT-OAHLLOKOSA-N 1 1 298.386 3.203 20 30 CGEDMO COc1cc(C[N@H+]2C[C@@H](C)CC(C)(C)C2)ccc1C#N ZINC000442838482 373101002 /nfs/dbraw/zinc/10/10/02/373101002.db2.gz SUQHXQXJQWUWRY-ZDUSSCGKSA-N 1 1 272.392 3.435 20 30 CGEDMO CC(C)C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C(C)C ZINC000173573446 373160254 /nfs/dbraw/zinc/16/02/54/373160254.db2.gz CICGXJNRCDZYSY-UHFFFAOYSA-N 1 1 298.390 3.475 20 30 CGEDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000173435924 373140577 /nfs/dbraw/zinc/14/05/77/373140577.db2.gz YLTXAGUZWTVASP-KMFMINBZSA-N 1 1 297.402 3.150 20 30 CGEDMO COCC[C@H]1CCCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000344890782 217346317 /nfs/dbraw/zinc/34/63/17/217346317.db2.gz LWWLGVMTSLVWRS-CYBMUJFWSA-N 1 1 278.421 3.258 20 30 CGEDMO C=CC[C@@H]1[N@@H+](CCC(=O)N2CCC[C@H]2C)CCCC1(C)C ZINC000444779255 373272646 /nfs/dbraw/zinc/27/26/46/373272646.db2.gz BKUNZYVYCDPSDN-CVEARBPZSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[C@@H]1[N@H+](CC2CCOCC2)CCCC1(C)C ZINC000444783335 373275632 /nfs/dbraw/zinc/27/56/32/373275632.db2.gz SLKUKIMEUGTEBM-HNNXBMFYSA-N 1 1 251.414 3.480 20 30 CGEDMO CC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@H]1CCCC[C@@H]1C ZINC000444673153 373230700 /nfs/dbraw/zinc/23/07/00/373230700.db2.gz IBLZWZZBBBDZDX-YOEHRIQHSA-N 1 1 299.418 3.397 20 30 CGEDMO CC[C@]1(CO)CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000444679246 373231653 /nfs/dbraw/zinc/23/16/53/373231653.db2.gz LWPBTZIJUDOPKS-INIZCTEOSA-N 1 1 266.429 3.191 20 30 CGEDMO Cc1cccnc1[C@@H]([NH2+]Cc1ccc(C#N)o1)C(C)C ZINC000174399076 373309272 /nfs/dbraw/zinc/30/92/72/373309272.db2.gz ZXGGWBGEIRREFG-HNNXBMFYSA-N 1 1 269.348 3.342 20 30 CGEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+](C)C2CCC2)cc1C ZINC000175271418 373442504 /nfs/dbraw/zinc/44/25/04/373442504.db2.gz RZCXLOCIHZSZEZ-UHFFFAOYSA-N 1 1 299.418 3.034 20 30 CGEDMO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1C[C@H](C#N)CCC#N ZINC000175605318 373491147 /nfs/dbraw/zinc/49/11/47/373491147.db2.gz ZBPOWXRRBRKEAI-ZOBUZTSGSA-N 1 1 267.376 3.308 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000299375332 373523184 /nfs/dbraw/zinc/52/31/84/373523184.db2.gz LZNHXTWBJSMCBS-DNVCBOLYSA-N 1 1 294.398 3.155 20 30 CGEDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)Nc1cccc(F)c1C#N ZINC000301137620 373673801 /nfs/dbraw/zinc/67/38/01/373673801.db2.gz CVRHXZBAWLUCJI-OLZOCXBDSA-N 1 1 275.371 3.230 20 30 CGEDMO C[C@H](CNc1ccc(Cl)c(C#N)n1)[N@H+]1CCC[C@@H](C)C1 ZINC000301178691 373684753 /nfs/dbraw/zinc/68/47/53/373684753.db2.gz OAZVCKMILJYLEV-VXGBXAGGSA-N 1 1 292.814 3.139 20 30 CGEDMO CCCC[N@@H+](C)CCNc1cc(C#N)nc2ccccc21 ZINC000301389266 373770087 /nfs/dbraw/zinc/77/00/87/373770087.db2.gz FNJWKLODGSLCGU-UHFFFAOYSA-N 1 1 282.391 3.250 20 30 CGEDMO N#Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000301271024 373723744 /nfs/dbraw/zinc/72/37/44/373723744.db2.gz KBCYDEAYNSPILO-QGZVFWFLSA-N 1 1 292.386 3.030 20 30 CGEDMO C=CCOc1cccc(C[NH2+][C@@H]2C[C@H](C)n3ccnc32)c1 ZINC000449575302 373834176 /nfs/dbraw/zinc/83/41/76/373834176.db2.gz XRTIRYBRXCILHY-XJKSGUPXSA-N 1 1 283.375 3.244 20 30 CGEDMO CN(CC[N@@H+](C)C1CC1)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000302228041 373834986 /nfs/dbraw/zinc/83/49/86/373834986.db2.gz ALXYRVDGZBBFOO-UHFFFAOYSA-N 1 1 297.324 3.107 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000449862417 373948346 /nfs/dbraw/zinc/94/83/46/373948346.db2.gz XIUHVWILPGRTGF-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@@H](COC)CC2)c1 ZINC000449779907 373908352 /nfs/dbraw/zinc/90/83/52/373908352.db2.gz VALHCHHSTHOABS-MRXNPFEDSA-N 1 1 289.419 3.500 20 30 CGEDMO C=CCOc1cccc(CN(C)[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000449785965 373918332 /nfs/dbraw/zinc/91/83/32/373918332.db2.gz KGECURNJCDCYGZ-QGZVFWFLSA-N 1 1 288.435 3.166 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCCCNc2c(C#N)cccc2C#N)C1 ZINC000302823407 373975452 /nfs/dbraw/zinc/97/54/52/373975452.db2.gz FQZSKHAFHKRJNO-OAHLLOKOSA-N 1 1 296.418 3.354 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCCCNc1c(C#N)cccc1C#N ZINC000302860491 373986247 /nfs/dbraw/zinc/98/62/47/373986247.db2.gz UQBPQUFLVRCHSW-HNNXBMFYSA-N 1 1 296.418 3.496 20 30 CGEDMO Fc1ccc(C#CC[N@H+](Cc2ccccn2)C2CC2)cc1 ZINC000180870158 374054570 /nfs/dbraw/zinc/05/45/70/374054570.db2.gz HZJJKENPEAUWGY-UHFFFAOYSA-N 1 1 280.346 3.237 20 30 CGEDMO Fc1ccc(C#CC[N@@H+](Cc2ccccn2)C2CC2)cc1 ZINC000180870158 374054578 /nfs/dbraw/zinc/05/45/78/374054578.db2.gz HZJJKENPEAUWGY-UHFFFAOYSA-N 1 1 280.346 3.237 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1Br)CC1CC1 ZINC000180977973 374066164 /nfs/dbraw/zinc/06/61/64/374066164.db2.gz QICNURTXBTTWJT-UHFFFAOYSA-N 1 1 279.181 3.163 20 30 CGEDMO COc1cc(C[N@H+](CCC#N)CC2CC2)ccc1Cl ZINC000450463915 374145885 /nfs/dbraw/zinc/14/58/85/374145885.db2.gz UAUHZXCMCDMXPY-UHFFFAOYSA-N 1 1 278.783 3.474 20 30 CGEDMO COc1cc(C[N@@H+](CCC#N)CC2CC2)ccc1Cl ZINC000450463915 374145893 /nfs/dbraw/zinc/14/58/93/374145893.db2.gz UAUHZXCMCDMXPY-UHFFFAOYSA-N 1 1 278.783 3.474 20 30 CGEDMO C=CCC1(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)CCCCC1 ZINC000450771941 374178434 /nfs/dbraw/zinc/17/84/34/374178434.db2.gz ZKHRFZNLAQLYGU-OAHLLOKOSA-N 1 1 290.451 3.280 20 30 CGEDMO CC(C)(C)OC(=O)CCCC[N@H+](CC#N)C1CCCC1 ZINC000181901586 374188113 /nfs/dbraw/zinc/18/81/13/374188113.db2.gz DSSJRXHUEBKTBK-UHFFFAOYSA-N 1 1 280.412 3.267 20 30 CGEDMO CC(C)(C)OC(=O)CCCC[N@@H+](CC#N)C1CCCC1 ZINC000181901586 374188122 /nfs/dbraw/zinc/18/81/22/374188122.db2.gz DSSJRXHUEBKTBK-UHFFFAOYSA-N 1 1 280.412 3.267 20 30 CGEDMO N#Cc1c(F)cccc1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309545618 374188346 /nfs/dbraw/zinc/18/83/46/374188346.db2.gz PDPMCDHICFNHQL-OAHLLOKOSA-N 1 1 295.361 3.384 20 30 CGEDMO N#Cc1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000309583284 374188460 /nfs/dbraw/zinc/18/84/60/374188460.db2.gz PXTQLYXJKVTBEC-INIZCTEOSA-N 1 1 295.361 3.384 20 30 CGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000317334259 374340319 /nfs/dbraw/zinc/34/03/19/374340319.db2.gz AHGHHKPZUAFZDX-DZGCQCFKSA-N 1 1 299.418 3.253 20 30 CGEDMO C[C@H](C1CCC1)[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000325575662 374358238 /nfs/dbraw/zinc/35/82/38/374358238.db2.gz OKCMXEGYSFLPGI-CYBMUJFWSA-N 1 1 285.391 3.007 20 30 CGEDMO C[C@@H](C1CCC1)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000325611673 374358480 /nfs/dbraw/zinc/35/84/80/374358480.db2.gz UBDPJQKMGBIOMB-ZDUSSCGKSA-N 1 1 258.365 3.057 20 30 CGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@@H](C2CC2)C1 ZINC000328985420 374398018 /nfs/dbraw/zinc/39/80/18/374398018.db2.gz ZRAKCCZIUMWETH-UKRRQHHQSA-N 1 1 289.423 3.290 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc2[nH]cnc2c1 ZINC000329840742 374436781 /nfs/dbraw/zinc/43/67/81/374436781.db2.gz JUMASVXWQBWKFQ-PHIMTYICSA-N 1 1 272.352 3.024 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccc2nc[nH]c2c1 ZINC000329840742 374436790 /nfs/dbraw/zinc/43/67/90/374436790.db2.gz JUMASVXWQBWKFQ-PHIMTYICSA-N 1 1 272.352 3.024 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc2nc[nH]c2c1 ZINC000329840742 374436797 /nfs/dbraw/zinc/43/67/97/374436797.db2.gz JUMASVXWQBWKFQ-PHIMTYICSA-N 1 1 272.352 3.024 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2C2CCOCC2)c(F)c1 ZINC000334202113 374657521 /nfs/dbraw/zinc/65/75/21/374657521.db2.gz RSQQZYKLEVZBDV-KRWDZBQOSA-N 1 1 288.366 3.088 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)o1 ZINC000334368698 374690332 /nfs/dbraw/zinc/69/03/32/374690332.db2.gz MEFVRAJRFNDXLD-OAHLLOKOSA-N 1 1 286.306 3.294 20 30 CGEDMO N#Cc1csc(C[N@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)n1 ZINC000334387102 374705585 /nfs/dbraw/zinc/70/55/85/374705585.db2.gz OSECFLGBUHFDTE-KCXRBIIJSA-N 1 1 273.405 3.025 20 30 CGEDMO C[C@H]1CCC(C)(C)[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459509738 374809219 /nfs/dbraw/zinc/80/92/19/374809219.db2.gz LIOKASXYTOGMGU-NSHDSACASA-N 1 1 273.336 3.229 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000186448676 374853779 /nfs/dbraw/zinc/85/37/79/374853779.db2.gz XFKDYZWENBPNSF-IBGZPJMESA-N 1 1 290.366 3.190 20 30 CGEDMO CO[C@H]1C[N@H+](CC#Cc2ccccc2Cl)CC[C@@H]1C ZINC000467284190 374973712 /nfs/dbraw/zinc/97/37/12/374973712.db2.gz ORKKYQSBCWIOCN-BBRMVZONSA-N 1 1 277.795 3.048 20 30 CGEDMO CO[C@H]1C[N@@H+](CC#Cc2ccccc2Cl)CC[C@@H]1C ZINC000467284190 374973716 /nfs/dbraw/zinc/97/37/16/374973716.db2.gz ORKKYQSBCWIOCN-BBRMVZONSA-N 1 1 277.795 3.048 20 30 CGEDMO CC1(C)C[N@H+](Cc2ccc(C#N)s2)[C@@H]2CCC[C@H]2O1 ZINC000334694653 374981969 /nfs/dbraw/zinc/98/19/69/374981969.db2.gz HDFTYKYQWMEKTN-ZIAGYGMSSA-N 1 1 276.405 3.152 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)s2)[C@@H]2CCC[C@H]2O1 ZINC000334694653 374981975 /nfs/dbraw/zinc/98/19/75/374981975.db2.gz HDFTYKYQWMEKTN-ZIAGYGMSSA-N 1 1 276.405 3.152 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCCC[C@H](COC)C2)cc1 ZINC000468698091 374983197 /nfs/dbraw/zinc/98/31/97/374983197.db2.gz DUBIVRIFLSJCGN-KRWDZBQOSA-N 1 1 289.419 3.500 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000470766819 374998482 /nfs/dbraw/zinc/99/84/82/374998482.db2.gz RCXJYNDHCAHGMJ-KRWDZBQOSA-N 1 1 259.393 3.243 20 30 CGEDMO C=CCOCCC[N@H+]1CCSC2(CCCCC2)C1 ZINC000470766958 374999602 /nfs/dbraw/zinc/99/96/02/374999602.db2.gz SVLYQOBMKADSAI-UHFFFAOYSA-N 1 1 269.454 3.331 20 30 CGEDMO Cc1c([C@H](C)[NH2+]Cc2ccc(Cl)cc2C#N)cnn1C ZINC000187496400 375030674 /nfs/dbraw/zinc/03/06/74/375030674.db2.gz ZJGGKAUDMJYJCZ-JTQLQIEISA-N 1 1 288.782 3.104 20 30 CGEDMO C[N@H+]1CC[C@@H](CSc2ccc(C#N)cc2Cl)C1 ZINC000187692804 375072632 /nfs/dbraw/zinc/07/26/32/375072632.db2.gz WECUHZRQTLYVSP-LLVKDONJSA-N 1 1 266.797 3.255 20 30 CGEDMO C=CC1CC[NH+]([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000187689672 375074106 /nfs/dbraw/zinc/07/41/06/375074106.db2.gz MPRAJXRYGFPORF-ZDUSSCGKSA-N 1 1 293.432 3.049 20 30 CGEDMO COc1ccc(C[N@@H+](C)CC#Cc2ccccc2)cc1C ZINC000483566247 375182836 /nfs/dbraw/zinc/18/28/36/375182836.db2.gz VURRUSBCXOBRCY-UHFFFAOYSA-N 1 1 279.383 3.487 20 30 CGEDMO C=CCCCC(=O)NC[C@H]1CCCC[N@@H+]1CCCC ZINC000479583417 375152846 /nfs/dbraw/zinc/15/28/46/375152846.db2.gz XHDLCNSDRQAJMP-OAHLLOKOSA-N 1 1 266.429 3.114 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCOC[C@@]2(C)CC)c1 ZINC000482528660 375171187 /nfs/dbraw/zinc/17/11/87/375171187.db2.gz GNOLRFLGIUCAJS-QGZVFWFLSA-N 1 1 275.392 3.252 20 30 CGEDMO C[C@@H]1CCCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000187951382 375124749 /nfs/dbraw/zinc/12/47/49/375124749.db2.gz MEYMQFYQTFEAIP-GFCCVEGCSA-N 1 1 291.420 3.070 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC000487908075 375282604 /nfs/dbraw/zinc/28/26/04/375282604.db2.gz LBPGJYLVYPKWFS-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCCCC[N@H+](C)CC(C)(C)CN1CCOCC1 ZINC000488171367 375305739 /nfs/dbraw/zinc/30/57/39/375305739.db2.gz YJJRKLBKZCODRS-UHFFFAOYSA-N 1 1 282.472 3.023 20 30 CGEDMO N#Cc1cccc(C[NH2+]Cc2nccn2-c2ccccc2)c1 ZINC000190749971 375536289 /nfs/dbraw/zinc/53/62/89/375536289.db2.gz FSOVHMOKYQGARX-UHFFFAOYSA-N 1 1 288.354 3.034 20 30 CGEDMO C=C(CC)C[N@H+]1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000495613495 375499912 /nfs/dbraw/zinc/49/99/12/375499912.db2.gz XFCXTVPIXKXFNS-UHFFFAOYSA-N 1 1 294.439 3.428 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCSC[C@@H](C)C1 ZINC000190484220 375514955 /nfs/dbraw/zinc/51/49/55/375514955.db2.gz CVDXBYRTSQVVBY-STQMWFEESA-N 1 1 260.406 3.304 20 30 CGEDMO N#Cc1ccccc1C[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000335934840 375550425 /nfs/dbraw/zinc/55/04/25/375550425.db2.gz LHXAZMBWNVYCOK-UHFFFAOYSA-N 1 1 295.361 3.414 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000496822009 375558783 /nfs/dbraw/zinc/55/87/83/375558783.db2.gz RAQBRBPPDVWKSL-HOCLYGCPSA-N 1 1 286.375 3.052 20 30 CGEDMO C=CC[N@@H+](CCOC)[C@H](C)c1nc2ccccc2o1 ZINC000191149887 375585378 /nfs/dbraw/zinc/58/53/78/375585378.db2.gz AUNQWHQNBMXXRO-GFCCVEGCSA-N 1 1 260.337 3.023 20 30 CGEDMO C=CC[N@H+](CCOC)[C@H](C)c1nc2ccccc2o1 ZINC000191149887 375585385 /nfs/dbraw/zinc/58/53/85/375585385.db2.gz AUNQWHQNBMXXRO-GFCCVEGCSA-N 1 1 260.337 3.023 20 30 CGEDMO Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2cc(C#N)n(C)c2)s1 ZINC000191345059 375612359 /nfs/dbraw/zinc/61/23/59/375612359.db2.gz NJECSXGAAYOZMO-NSHDSACASA-N 1 1 288.420 3.163 20 30 CGEDMO CCC[C@]1(C)CCC[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000191379886 375621251 /nfs/dbraw/zinc/62/12/51/375621251.db2.gz XLUAFMKLTKXERS-MRXNPFEDSA-N 1 1 259.397 3.299 20 30 CGEDMO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191385804 375622558 /nfs/dbraw/zinc/62/25/58/375622558.db2.gz MWYZJIWBCSDZFR-BBRMVZONSA-N 1 1 297.377 3.414 20 30 CGEDMO C[C@@H]1[N@@H+](Cc2cc(C#N)ccc2F)CCC12CCOCC2 ZINC000335996806 375603447 /nfs/dbraw/zinc/60/34/47/375603447.db2.gz OVWXNCXKWMRXNH-ZDUSSCGKSA-N 1 1 288.366 3.088 20 30 CGEDMO Cn1cc(C[N@H+](Cc2cccc(O)c2)CC2CC2)cc1C#N ZINC000191287061 375604215 /nfs/dbraw/zinc/60/42/15/375604215.db2.gz WQNQWYCTPBLZPS-UHFFFAOYSA-N 1 1 295.386 3.015 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC=C(c3cccnc3)C2)c1 ZINC000336002356 375608144 /nfs/dbraw/zinc/60/81/44/375608144.db2.gz QNOBXSVRHDLRQV-UHFFFAOYSA-N 1 1 293.345 3.382 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCC=C(c3cccnc3)C2)c1 ZINC000336002356 375608147 /nfs/dbraw/zinc/60/81/47/375608147.db2.gz QNOBXSVRHDLRQV-UHFFFAOYSA-N 1 1 293.345 3.382 20 30 CGEDMO CC#CCC[N@@H+]1CC[C@@](F)(c2cc(C)cc(F)c2)C1 ZINC000502904544 375648493 /nfs/dbraw/zinc/64/84/93/375648493.db2.gz AKAQUCMTANXNRJ-INIZCTEOSA-N 1 1 263.331 3.418 20 30 CGEDMO CC#CCC[N@H+]1CC[C@@](F)(c2cc(C)cc(F)c2)C1 ZINC000502904544 375648501 /nfs/dbraw/zinc/64/85/01/375648501.db2.gz AKAQUCMTANXNRJ-INIZCTEOSA-N 1 1 263.331 3.418 20 30 CGEDMO C=CC[N@@H+](CCOC)Cc1cn(C)nc1C1CCCCC1 ZINC000191758995 375659442 /nfs/dbraw/zinc/65/94/42/375659442.db2.gz LHANJFVGDSYHEA-UHFFFAOYSA-N 1 1 291.439 3.102 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cn(C)nc1C1CCCCC1 ZINC000191758995 375659451 /nfs/dbraw/zinc/65/94/51/375659451.db2.gz LHANJFVGDSYHEA-UHFFFAOYSA-N 1 1 291.439 3.102 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)c(F)c2)CCS1 ZINC000192064581 375694328 /nfs/dbraw/zinc/69/43/28/375694328.db2.gz MXFADDSFVGZVJN-UHFFFAOYSA-N 1 1 264.369 3.025 20 30 CGEDMO C#CCCCC(=O)Nc1cccc2c1C[N@H+](CCC)C2 ZINC000192260618 375721227 /nfs/dbraw/zinc/72/12/27/375721227.db2.gz KAIUKERZNHLVKP-UHFFFAOYSA-N 1 1 270.376 3.154 20 30 CGEDMO C#CCCCC(=O)Nc1cccc2c1C[N@@H+](CCC)C2 ZINC000192260618 375721232 /nfs/dbraw/zinc/72/12/32/375721232.db2.gz KAIUKERZNHLVKP-UHFFFAOYSA-N 1 1 270.376 3.154 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+](Cc1cccnc1)C1CC1 ZINC000192133502 375699798 /nfs/dbraw/zinc/69/97/98/375699798.db2.gz ZZJUWRMLZLXJQU-UHFFFAOYSA-N 1 1 262.356 3.098 20 30 CGEDMO C(#Cc1ccccc1)C[N@@H+](Cc1cccnc1)C1CC1 ZINC000192133502 375699808 /nfs/dbraw/zinc/69/98/08/375699808.db2.gz ZZJUWRMLZLXJQU-UHFFFAOYSA-N 1 1 262.356 3.098 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCS[C@H](C)CC1 ZINC000192170504 375706900 /nfs/dbraw/zinc/70/69/00/375706900.db2.gz MMTIFGPKZHCDGT-OLZOCXBDSA-N 1 1 260.406 3.447 20 30 CGEDMO COc1cccc(C2=CC[N@H+]([C@@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC000336128553 375707676 /nfs/dbraw/zinc/70/76/76/375707676.db2.gz ZFDVXWZQQBNSTO-RHSMWYFYSA-N 1 1 282.387 3.477 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)CCS1 ZINC000192186140 375708274 /nfs/dbraw/zinc/70/82/74/375708274.db2.gz NHASMUBONVQBJQ-LLVKDONJSA-N 1 1 264.369 3.025 20 30 CGEDMO C=C(C)CC[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000509360572 375779735 /nfs/dbraw/zinc/77/97/35/375779735.db2.gz XBELXOCNCUNGCD-QGZVFWFLSA-N 1 1 259.393 3.286 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](CC)C2)cc1 ZINC000511853412 375792947 /nfs/dbraw/zinc/79/29/47/375792947.db2.gz BNJSKEBJSUGDLC-GDBMZVCRSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2C[C@@H](C)O[C@H](CC)C2)cc1 ZINC000511853412 375792955 /nfs/dbraw/zinc/79/29/55/375792955.db2.gz BNJSKEBJSUGDLC-GDBMZVCRSA-N 1 1 275.392 3.251 20 30 CGEDMO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000336572882 375841107 /nfs/dbraw/zinc/84/11/07/375841107.db2.gz DXUJIWTWZFUOIK-JOYOIKCWSA-N 1 1 286.272 3.470 20 30 CGEDMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC000336572882 375841112 /nfs/dbraw/zinc/84/11/12/375841112.db2.gz DXUJIWTWZFUOIK-JOYOIKCWSA-N 1 1 286.272 3.470 20 30 CGEDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000336615859 375877153 /nfs/dbraw/zinc/87/71/53/375877153.db2.gz JAQXKRKSWNHHHO-SKDRFNHKSA-N 1 1 286.272 3.470 20 30 CGEDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000336615859 375877157 /nfs/dbraw/zinc/87/71/57/375877157.db2.gz JAQXKRKSWNHHHO-SKDRFNHKSA-N 1 1 286.272 3.470 20 30 CGEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@H](c3ccccc3)CC2)CC1 ZINC000528367897 375898805 /nfs/dbraw/zinc/89/88/05/375898805.db2.gz JTGJXSKCRKNBLD-ROUUACIJSA-N 1 1 298.430 3.311 20 30 CGEDMO COc1cccc([C@H]2C[N@@H+](CCCC#N)CC2(C)C)c1 ZINC000528620097 375907485 /nfs/dbraw/zinc/90/74/85/375907485.db2.gz NYDBPDXUEXLUBL-MRXNPFEDSA-N 1 1 272.392 3.424 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000528735579 375908389 /nfs/dbraw/zinc/90/83/89/375908389.db2.gz HDDGQFVZFXBPTN-UHFFFAOYSA-N 1 1 284.407 3.042 20 30 CGEDMO C=CCCCC[N@@H+]1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000520728347 375870572 /nfs/dbraw/zinc/87/05/72/375870572.db2.gz JGGHGVFTOPUODG-OWCLPIDISA-N 1 1 250.430 3.005 20 30 CGEDMO C=CCCCCN1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000520728347 375870579 /nfs/dbraw/zinc/87/05/79/375870579.db2.gz JGGHGVFTOPUODG-OWCLPIDISA-N 1 1 250.430 3.005 20 30 CGEDMO C=CCCCCN1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000520728347 375870588 /nfs/dbraw/zinc/87/05/88/375870588.db2.gz JGGHGVFTOPUODG-OWCLPIDISA-N 1 1 250.430 3.005 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](C2CCCCC2)C[C@@H]1C(=O)OC ZINC000530733781 375943278 /nfs/dbraw/zinc/94/32/78/375943278.db2.gz YUTGVLJDGNZAGJ-HUUCEWRRSA-N 1 1 265.397 3.006 20 30 CGEDMO C[C@@H](O)C[N@@H+](Cc1ccc(C#N)s1)Cc1ccccc1 ZINC000535080957 376022977 /nfs/dbraw/zinc/02/29/77/376022977.db2.gz IJUCRYQCLVXRJU-CYBMUJFWSA-N 1 1 286.400 3.003 20 30 CGEDMO C=CCN1CC[C@H]([N@H+](C)Cc2ccc(C(C)C)cc2)C1=O ZINC000337129067 376089339 /nfs/dbraw/zinc/08/93/39/376089339.db2.gz IRJHOANGJTYXQR-KRWDZBQOSA-N 1 1 286.419 3.029 20 30 CGEDMO C=CCN1CC[C@@H]([N@H+](Cc2ccccc2)C(C)(C)C)C1=O ZINC000337145085 376100048 /nfs/dbraw/zinc/10/00/48/376100048.db2.gz DKDIUVODBCVRPR-MRXNPFEDSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CCOc1ccc(C[N@H+](CCC#N)C(C)C)cc1OC ZINC000536645265 376106711 /nfs/dbraw/zinc/10/67/11/376106711.db2.gz DWWPAUOBXYGYKR-UHFFFAOYSA-N 1 1 288.391 3.384 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](CCC#N)C(C)C)cc1OC ZINC000536645265 376106715 /nfs/dbraw/zinc/10/67/15/376106715.db2.gz DWWPAUOBXYGYKR-UHFFFAOYSA-N 1 1 288.391 3.384 20 30 CGEDMO C[C@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)C[C@H]1C ZINC000337172544 376113841 /nfs/dbraw/zinc/11/38/41/376113841.db2.gz FLYSCVWTTTUCCG-LSDHHAIUSA-N 1 1 264.413 3.065 20 30 CGEDMO Cc1cc(C[N@@H+]2CCCC[C@@H]2c2ccnn2C)ccc1C#N ZINC000337249972 376163872 /nfs/dbraw/zinc/16/38/72/376163872.db2.gz JSFARWXQAVRPJN-GOSISDBHSA-N 1 1 294.402 3.327 20 30 CGEDMO C=C(CC)C[N@H+](CC(N)=O)[C@H](C)c1ccc(CCC)cc1 ZINC000538002760 376217118 /nfs/dbraw/zinc/21/71/18/376217118.db2.gz QBRPLODKTPYLJN-OAHLLOKOSA-N 1 1 288.435 3.454 20 30 CGEDMO CCC[N@@H+](CCC(C)(C)C#N)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000538466537 376242998 /nfs/dbraw/zinc/24/29/98/376242998.db2.gz LTTCNZLGSIJBJP-RBSFLKMASA-N 1 1 278.440 3.452 20 30 CGEDMO C=CCC[N@@H+]1CCN(c2cccc3cnccc32)C[C@H]1C ZINC000338539357 376415834 /nfs/dbraw/zinc/41/58/34/376415834.db2.gz GAOKTVIODNWFCQ-OAHLLOKOSA-N 1 1 281.403 3.321 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000540298407 376369925 /nfs/dbraw/zinc/36/99/25/376369925.db2.gz YUWVRGFMDKTLCK-CVEARBPZSA-N 1 1 280.456 3.215 20 30 CGEDMO CC(C)c1ccccc1NC(=O)C[NH+]1CCC(CC#N)CC1 ZINC000541954144 376497766 /nfs/dbraw/zinc/49/77/66/376497766.db2.gz FRJPHAXUKCSNHY-UHFFFAOYSA-N 1 1 299.418 3.374 20 30 CGEDMO CC[N@@H+](CCC(=O)Nc1ccccc1C#N)CC1CCC1 ZINC000230316532 376506277 /nfs/dbraw/zinc/50/62/77/376506277.db2.gz USVVWJLEWCGTLV-UHFFFAOYSA-N 1 1 285.391 3.009 20 30 CGEDMO CC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)CC1CCC1 ZINC000230316496 376506542 /nfs/dbraw/zinc/50/65/42/376506542.db2.gz WMFQCQNVKVLGAP-UHFFFAOYSA-N 1 1 285.391 3.009 20 30 CGEDMO CC[N@@H+](CC1CCC1)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000230316493 376506886 /nfs/dbraw/zinc/50/68/86/376506886.db2.gz YYJZLWDJEVGCGH-CYBMUJFWSA-N 1 1 285.391 3.007 20 30 CGEDMO COCC[N@@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@@H](C)C1 ZINC000338938962 376586382 /nfs/dbraw/zinc/58/63/82/376586382.db2.gz VJUGBNCDPTVZOC-PBHICJAKSA-N 1 1 272.392 3.195 20 30 CGEDMO CC[C@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1nccs1 ZINC000234029241 376610212 /nfs/dbraw/zinc/61/02/12/376610212.db2.gz BFHGGIDIABZNQG-ZDUSSCGKSA-N 1 1 287.388 3.264 20 30 CGEDMO C[N@@H+](CCCCC(C)(C)C#N)C[C@@H]1CCCOC1 ZINC000234272052 376615524 /nfs/dbraw/zinc/61/55/24/376615524.db2.gz QZDVNYMNZABFJP-AWEZNQCLSA-N 1 1 252.402 3.065 20 30 CGEDMO COc1cc(C[N@@H+](C)[C@H](C)CCSC)ccc1C#N ZINC000234804595 376619462 /nfs/dbraw/zinc/61/94/62/376619462.db2.gz QIXVHKICRKOFOT-GFCCVEGCSA-N 1 1 278.421 3.140 20 30 CGEDMO COc1cc(C[N@@H+](C)CC2CCCC2)ccc1C#N ZINC000234920489 376624860 /nfs/dbraw/zinc/62/48/60/376624860.db2.gz SBSBQJNTTBBNOE-UHFFFAOYSA-N 1 1 258.365 3.189 20 30 CGEDMO N#CCCOCC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000339049254 376645082 /nfs/dbraw/zinc/64/50/82/376645082.db2.gz XCMSARBJAMDPBA-OAHLLOKOSA-N 1 1 299.374 3.285 20 30 CGEDMO N#CCCOCC[N@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000339049254 376645088 /nfs/dbraw/zinc/64/50/88/376645088.db2.gz XCMSARBJAMDPBA-OAHLLOKOSA-N 1 1 299.374 3.285 20 30 CGEDMO CCO[C@@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000135090540 542086413 /nfs/dbraw/zinc/08/64/13/542086413.db2.gz UQFDCOWLSBONAC-OAHLLOKOSA-N 1 1 277.795 3.192 20 30 CGEDMO CCO[C@@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000135090540 542086416 /nfs/dbraw/zinc/08/64/16/542086416.db2.gz UQFDCOWLSBONAC-OAHLLOKOSA-N 1 1 277.795 3.192 20 30 CGEDMO C[C@H](CNc1ncc(C#N)cc1Cl)[N@H+]1CCCC[C@H]1C ZINC000339135586 376702271 /nfs/dbraw/zinc/70/22/71/376702271.db2.gz FKFWKYWAZBXQRA-VXGBXAGGSA-N 1 1 292.814 3.281 20 30 CGEDMO C[C@@H](Nc1[nH+]cnc2[nH]ccc21)c1ccc(C#N)cc1 ZINC000339136534 376702729 /nfs/dbraw/zinc/70/27/29/376702729.db2.gz WTTMNUDSSFTOKA-SNVBAGLBSA-N 1 1 263.304 3.003 20 30 CGEDMO C[N@@H+](CCCC(C)(C)C#N)CCc1ccccc1O ZINC000544186656 376714006 /nfs/dbraw/zinc/71/40/06/376714006.db2.gz BLSRSZHADPMEBA-UHFFFAOYSA-N 1 1 260.381 3.196 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H](CC2CC2)C1 ZINC000339672043 376799610 /nfs/dbraw/zinc/79/96/10/376799610.db2.gz CXUXUSLHWIQKBL-CYBMUJFWSA-N 1 1 258.340 3.319 20 30 CGEDMO CCC[N@@H+](CCCC#N)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000246913917 377117025 /nfs/dbraw/zinc/11/70/25/377117025.db2.gz HZMHNNWSWOSXFZ-ZIAGYGMSSA-N 1 1 252.402 3.206 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)cn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000559283982 377078468 /nfs/dbraw/zinc/07/84/68/377078468.db2.gz MHBADNQKZHDBLZ-AWEZNQCLSA-N 1 1 290.370 3.408 20 30 CGEDMO C[C@]1(c2ccccc2)CCC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000246785466 377087080 /nfs/dbraw/zinc/08/70/80/377087080.db2.gz BHLALPREYDNGTH-AEFFLSMTSA-N 1 1 281.403 3.484 20 30 CGEDMO C[C@]1(c2ccccc2)CCC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000246785466 377087084 /nfs/dbraw/zinc/08/70/84/377087084.db2.gz BHLALPREYDNGTH-AEFFLSMTSA-N 1 1 281.403 3.484 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000247273317 377188512 /nfs/dbraw/zinc/18/85/12/377188512.db2.gz GUIDRUGRGVCACY-ILXRZTDVSA-N 1 1 263.381 3.380 20 30 CGEDMO Cc1ccc2nc(C[NH2+][C@@H](C)c3cccc(C#N)c3)cn2c1 ZINC000341016497 377358782 /nfs/dbraw/zinc/35/87/82/377358782.db2.gz RVTHHDPTLHDSRE-AWEZNQCLSA-N 1 1 290.370 3.365 20 30 CGEDMO Cc1cc(C[NH2+][C@H](c2ccccc2F)[C@@H](C)O)ccc1C#N ZINC000563255736 377427684 /nfs/dbraw/zinc/42/76/84/377427684.db2.gz NGQBDPZRVBXBCF-ACJLOTCBSA-N 1 1 298.361 3.218 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCSC[C@@H](C)C1 ZINC000248968503 377436308 /nfs/dbraw/zinc/43/63/08/377436308.db2.gz CVDXBYRTSQVVBY-QWHCGFSZSA-N 1 1 260.406 3.304 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cc(C#N)n(C)c2)[C@@H](c2ccco2)C1 ZINC000248806840 377404779 /nfs/dbraw/zinc/40/47/79/377404779.db2.gz BSADEYZHFYHENL-CZUORRHYSA-N 1 1 283.375 3.463 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+][C@H]1CCCc2c(F)cccc21 ZINC000570786102 377539596 /nfs/dbraw/zinc/53/95/96/377539596.db2.gz AEYNFBTXSLGKIJ-LRDDRELGSA-N 1 1 271.339 3.236 20 30 CGEDMO CCC[C@@]1(COC)CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000572207357 377547784 /nfs/dbraw/zinc/54/77/84/377547784.db2.gz GDBMFGTZYRGREV-SFHVURJKSA-N 1 1 289.394 3.458 20 30 CGEDMO C=CC[C@H](CC)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000341657044 377609953 /nfs/dbraw/zinc/60/99/53/377609953.db2.gz VDMOCNPXLCLEGD-IRXDYDNUSA-N 1 1 286.419 3.122 20 30 CGEDMO Cn1cnc2cc(C[N@@H+](C)Cc3cccc(C#N)c3)ccc21 ZINC000342685594 377732760 /nfs/dbraw/zinc/73/27/60/377732760.db2.gz CFLQKWXSAHIOAL-UHFFFAOYSA-N 1 1 290.370 3.077 20 30 CGEDMO COCC[C@@H]1CCCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000342698519 377741831 /nfs/dbraw/zinc/74/18/31/377741831.db2.gz GHJJRXXFYIFGLL-INIZCTEOSA-N 1 1 272.392 3.197 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(c2cc(C)ccc2F)C1=O ZINC000342733008 377762310 /nfs/dbraw/zinc/76/23/10/377762310.db2.gz HYWMQSKRKUVTDX-OAHLLOKOSA-N 1 1 290.382 3.137 20 30 CGEDMO N#CCC[N@@H+](C/C=C\c1ccc(F)cc1)CC1CC1 ZINC000255547233 377765216 /nfs/dbraw/zinc/76/52/16/377765216.db2.gz XPRAZVDJCLCXBC-IWQZZHSRSA-N 1 1 258.340 3.465 20 30 CGEDMO N#CCC[N@H+](C/C=C\c1ccc(F)cc1)CC1CC1 ZINC000255547233 377765222 /nfs/dbraw/zinc/76/52/22/377765222.db2.gz XPRAZVDJCLCXBC-IWQZZHSRSA-N 1 1 258.340 3.465 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)c1nnc(-c2cccs2)o1 ZINC000342738090 377766466 /nfs/dbraw/zinc/76/64/66/377766466.db2.gz SWJDIOTZGZJFLX-SNVBAGLBSA-N 1 1 263.366 3.367 20 30 CGEDMO Cc1nsc(NC[C@H]2CCCC[N@@H+]2CC(C)C)c1C#N ZINC000342780007 377787337 /nfs/dbraw/zinc/78/73/37/377787337.db2.gz LWERZCVJBWEOHE-CYBMUJFWSA-N 1 1 292.452 3.246 20 30 CGEDMO Cc1ccnc(NC[C@H]2CCCC[N@@H+]2CC(C)C)c1C#N ZINC000343522980 378006535 /nfs/dbraw/zinc/00/65/35/378006535.db2.gz XDXJKJTWJFSPTI-OAHLLOKOSA-N 1 1 286.423 3.184 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCCC3(CCOCC3)C2)c1 ZINC000265985632 190220662 /nfs/dbraw/zinc/22/06/62/190220662.db2.gz CYYJVZHDHZLQSP-UHFFFAOYSA-N 1 1 288.366 3.090 20 30 CGEDMO CCCCCCCC(=O)NCCCCn1cc[nH+]c1C ZINC000266099769 378014807 /nfs/dbraw/zinc/01/48/07/378014807.db2.gz RISWRTIHSSNHET-UHFFFAOYSA-N 1 1 279.428 3.448 20 30 CGEDMO N#CCc1ccc(C[N@@H+]2CCc3ccc(F)cc3C2)cc1 ZINC000343422490 377975213 /nfs/dbraw/zinc/97/52/13/377975213.db2.gz VEYVEXJSEFNISC-UHFFFAOYSA-N 1 1 280.346 3.450 20 30 CGEDMO C[N@@H+](Cc1ccc(CC#N)cc1)[C@@H](CCO)c1ccccc1 ZINC000343556964 378017239 /nfs/dbraw/zinc/01/72/39/378017239.db2.gz RMZURQQHCMFMCG-IBGZPJMESA-N 1 1 294.398 3.308 20 30 CGEDMO C[N@@H+](CCCC(C)(C)C#N)C1Cc2ccccc2C1 ZINC000266882060 378027541 /nfs/dbraw/zinc/02/75/41/378027541.db2.gz ARCSJWXAYHWZEH-UHFFFAOYSA-N 1 1 256.393 3.416 20 30 CGEDMO C#CC[N@@H+](CC)[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000266941353 378028889 /nfs/dbraw/zinc/02/88/89/378028889.db2.gz RHQAWRFERSZXEN-JTQLQIEISA-N 1 1 299.201 3.276 20 30 CGEDMO C#CC[N@H+](CC)[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000266941353 378028894 /nfs/dbraw/zinc/02/88/94/378028894.db2.gz RHQAWRFERSZXEN-JTQLQIEISA-N 1 1 299.201 3.276 20 30 CGEDMO CCOc1ccc([C@H](C)[NH2+]CC2(C#N)CC2)cc1OC ZINC000343584388 378028952 /nfs/dbraw/zinc/02/89/52/378028952.db2.gz OINMHVVINHRCCB-LBPRGKRZSA-N 1 1 274.364 3.048 20 30 CGEDMO COC(=O)c1cccc(C[N@H+]2[C@@H](C)CCC2(C)C)c1C#N ZINC000578114121 378038006 /nfs/dbraw/zinc/03/80/06/378038006.db2.gz DTNCGDQKUANOAQ-LBPRGKRZSA-N 1 1 286.375 3.108 20 30 CGEDMO N#CCC[N@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000267448305 378038973 /nfs/dbraw/zinc/03/89/73/378038973.db2.gz LCWCEBPSKKTXHS-KBPBESRZSA-N 1 1 278.421 3.330 20 30 CGEDMO N#CCC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000267448305 378038975 /nfs/dbraw/zinc/03/89/75/378038975.db2.gz LCWCEBPSKKTXHS-KBPBESRZSA-N 1 1 278.421 3.330 20 30 CGEDMO Cc1ccc(C[N@@H+](C)C[C@@H](O)c2ccc(C#N)cc2)s1 ZINC000268640044 378084142 /nfs/dbraw/zinc/08/41/42/378084142.db2.gz DGAHMKQUUFWGJM-MRXNPFEDSA-N 1 1 286.400 3.094 20 30 CGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](CC)CCC ZINC000343642370 378049895 /nfs/dbraw/zinc/04/98/95/378049895.db2.gz FCTNYRWHAFDXGJ-CQSZACIVSA-N 1 1 294.464 3.383 20 30 CGEDMO CC(C)[N@@H+](CCCSCC#N)Cc1ccco1 ZINC000266701667 378024466 /nfs/dbraw/zinc/02/44/66/378024466.db2.gz FNMAEHLWDCYYDW-UHFFFAOYSA-N 1 1 252.383 3.137 20 30 CGEDMO CC[N@@H+](CCOc1ccccc1C)Cc1ccc(C#N)cn1 ZINC000579021430 378124383 /nfs/dbraw/zinc/12/43/83/378124383.db2.gz ATQPWJHMQZSQJW-UHFFFAOYSA-N 1 1 295.386 3.163 20 30 CGEDMO C=CCC(CC=C)C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000343928382 378135657 /nfs/dbraw/zinc/13/56/57/378135657.db2.gz BMNRYWYKPJAJOF-CABCVRRESA-N 1 1 278.440 3.134 20 30 CGEDMO N#CCC1CC[NH+](Cc2ccn(-c3ccccc3F)n2)CC1 ZINC000579312491 378148359 /nfs/dbraw/zinc/14/83/59/378148359.db2.gz VXWRIVSSHOLTFO-UHFFFAOYSA-N 1 1 298.365 3.137 20 30 CGEDMO CC[N@H+](Cc1ccccc1C)C[C@H](O)c1ccc(C#N)cc1 ZINC000268653346 378087234 /nfs/dbraw/zinc/08/72/34/378087234.db2.gz WGQSTRJPTVFTDD-IBGZPJMESA-N 1 1 294.398 3.422 20 30 CGEDMO C[C@H](C[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1)c1ccccc1 ZINC000268716760 378095994 /nfs/dbraw/zinc/09/59/94/378095994.db2.gz UZQDITVLTOTUSU-DNVCBOLYSA-N 1 1 294.398 3.327 20 30 CGEDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000578827625 378104780 /nfs/dbraw/zinc/10/47/80/378104780.db2.gz ZYQVDTVDAJJZIT-SFHVURJKSA-N 1 1 279.387 3.406 20 30 CGEDMO CC(C)C[N@@H+](Cc1cnc2c(C#N)cnn2c1)CC(C)(C)C ZINC000578869574 378107791 /nfs/dbraw/zinc/10/77/91/378107791.db2.gz YKPAVAFYOVEUCU-UHFFFAOYSA-N 1 1 299.422 3.105 20 30 CGEDMO C=CC[C@H]1[N@H+](CCOC[C@@H]2CCCO2)CCCC1(C)C ZINC000579914237 378206653 /nfs/dbraw/zinc/20/66/53/378206653.db2.gz LSVPVJOLKFNZFW-JKSUJKDBSA-N 1 1 281.440 3.249 20 30 CGEDMO CC[N@@H+](Cc1cnc(C)nc1)[C@H](C)c1ccc(C#N)cc1 ZINC000345211426 378224131 /nfs/dbraw/zinc/22/41/31/378224131.db2.gz TUSCCHUNASKWOK-CYBMUJFWSA-N 1 1 280.375 3.240 20 30 CGEDMO CC(C)[N@@H+](C)CCNc1cccc(C(F)F)c1C#N ZINC000579977793 378214436 /nfs/dbraw/zinc/21/44/36/378214436.db2.gz JVBXWQFTPZXAQA-UHFFFAOYSA-N 1 1 267.323 3.248 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(OC)c(OC)cc1F ZINC000579481620 378165277 /nfs/dbraw/zinc/16/52/77/378165277.db2.gz MPSZDEHUWOXCMG-UHFFFAOYSA-N 1 1 267.344 3.241 20 30 CGEDMO CC[N@@H+](C[C@H](C)C#N)[C@@H](CCOC)c1ccccc1 ZINC000345394638 378276179 /nfs/dbraw/zinc/27/61/79/378276179.db2.gz HIITYSYNLJLVIK-ZBFHGGJFSA-N 1 1 260.381 3.246 20 30 CGEDMO Clc1cccc(C#CC[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000269612508 378242441 /nfs/dbraw/zinc/24/24/41/378242441.db2.gz FRQJBWOSSOBMTQ-HNNXBMFYSA-N 1 1 299.805 3.294 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CCc3ccc(F)cc3C2)cc1 ZINC000269670718 378251672 /nfs/dbraw/zinc/25/16/72/378251672.db2.gz RBMVKBYTYCNFRM-UHFFFAOYSA-N 1 1 296.345 3.286 20 30 CGEDMO N#CCOc1ccc(C[N@@H+]2CCc3ccc(F)cc3C2)cc1 ZINC000269670718 378251676 /nfs/dbraw/zinc/25/16/76/378251676.db2.gz RBMVKBYTYCNFRM-UHFFFAOYSA-N 1 1 296.345 3.286 20 30 CGEDMO C[N@@H+](CCCCC#N)Cc1nc(-c2ccccc2)c[nH]1 ZINC000269684778 378253213 /nfs/dbraw/zinc/25/32/13/378253213.db2.gz UTXACLFLAUKHNV-UHFFFAOYSA-N 1 1 268.364 3.202 20 30 CGEDMO C=C[C@H](CC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000270241388 378326020 /nfs/dbraw/zinc/32/60/20/378326020.db2.gz LEMSADVFZQTTTQ-NJAFHUGGSA-N 1 1 298.430 3.089 20 30 CGEDMO CC[N@@H+](CCc1cccs1)Cc1ccc(C#N)cn1 ZINC000583880378 378355762 /nfs/dbraw/zinc/35/57/62/378355762.db2.gz VYGLPWSCCFBBTE-UHFFFAOYSA-N 1 1 271.389 3.079 20 30 CGEDMO CC[C@@H](CC#N)N[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000583935151 378359700 /nfs/dbraw/zinc/35/97/00/378359700.db2.gz RWJQEISCQWNIAG-ZWKOTPCHSA-N 1 1 297.446 3.465 20 30 CGEDMO N#CCC[NH2+][C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000583929662 378360089 /nfs/dbraw/zinc/36/00/89/378360089.db2.gz VMHSJQJYZWKRLA-ZDUSSCGKSA-N 1 1 266.291 3.169 20 30 CGEDMO N#CCCCC[N@@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000595507687 378401565 /nfs/dbraw/zinc/40/15/65/378401565.db2.gz ZJQCKECBEMRJKA-UHFFFAOYSA-N 1 1 293.361 3.171 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+]1CC[S@@](=O)C(CC)(CC)C1 ZINC000346034990 378444715 /nfs/dbraw/zinc/44/47/15/378444715.db2.gz SLDMJZRXRFKPBH-KBXCAEBGSA-N 1 1 271.470 3.354 20 30 CGEDMO C#CCCC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000270989018 378424068 /nfs/dbraw/zinc/42/40/68/378424068.db2.gz DOMHMDKJUNYCCJ-OAHLLOKOSA-N 1 1 271.360 3.008 20 30 CGEDMO C#CCCC[N@H+](C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000271025388 378429993 /nfs/dbraw/zinc/42/99/93/378429993.db2.gz JWXSAMGPVIYNEF-MJGOQNOKSA-N 1 1 284.447 3.385 20 30 CGEDMO C[C@H]([NH2+]CC1(N(C)C)CCCC1)c1ccc(C#N)c(F)c1 ZINC000271937437 378524457 /nfs/dbraw/zinc/52/44/57/378524457.db2.gz NPLDCRZKVKMJLX-ZDUSSCGKSA-N 1 1 289.398 3.222 20 30 CGEDMO C=CC(C)(C)CCNC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000637321397 378483644 /nfs/dbraw/zinc/48/36/44/378483644.db2.gz HGTLZJQEXSUZMN-HUUCEWRRSA-N 1 1 295.471 3.103 20 30 CGEDMO CC[N@@H+]1CCCC[C@@H]1CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271949360 378527536 /nfs/dbraw/zinc/52/75/36/378527536.db2.gz OFHXEOHWCSTXRB-CZUORRHYSA-N 1 1 289.398 3.222 20 30 CGEDMO CC[N@H+]1CCCC[C@@H]1CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271949360 378527543 /nfs/dbraw/zinc/52/75/43/378527543.db2.gz OFHXEOHWCSTXRB-CZUORRHYSA-N 1 1 289.398 3.222 20 30 CGEDMO C[C@@H](C#N)C[N@H+](Cc1cc(-n2ccnc2)cs1)C1CC1 ZINC000346229532 378513162 /nfs/dbraw/zinc/51/31/62/378513162.db2.gz VJWIDTVYCHKBJD-LBPRGKRZSA-N 1 1 286.404 3.058 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](Cc1cc(-n2ccnc2)cs1)C1CC1 ZINC000346229532 378513172 /nfs/dbraw/zinc/51/31/72/378513172.db2.gz VJWIDTVYCHKBJD-LBPRGKRZSA-N 1 1 286.404 3.058 20 30 CGEDMO Cc1nccn1CC[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000346304288 378538274 /nfs/dbraw/zinc/53/82/74/378538274.db2.gz HICVFSAYBJPZFS-UHFFFAOYSA-N 1 1 296.418 3.221 20 30 CGEDMO COc1ccc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)nc1 ZINC000272006762 378544386 /nfs/dbraw/zinc/54/43/86/378544386.db2.gz SPOOQULKUHLHEY-UHFFFAOYSA-N 1 1 293.370 3.126 20 30 CGEDMO COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)nc1 ZINC000272006762 378544390 /nfs/dbraw/zinc/54/43/90/378544390.db2.gz SPOOQULKUHLHEY-UHFFFAOYSA-N 1 1 293.370 3.126 20 30 CGEDMO C=CC[N@@H+](CCCOCC(F)(F)F)CCc1ccco1 ZINC000272224876 378589878 /nfs/dbraw/zinc/58/98/78/378589878.db2.gz CURAHNNZGCOAIQ-UHFFFAOYSA-N 1 1 291.313 3.279 20 30 CGEDMO CCCN1CCC([NH2+]C2(c3cccc(C#N)c3)CC2)CC1 ZINC000272290800 378605766 /nfs/dbraw/zinc/60/57/66/378605766.db2.gz PZOXEFLWXJZRNJ-UHFFFAOYSA-N 1 1 283.419 3.011 20 30 CGEDMO COCC[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccco1 ZINC000272551080 378663866 /nfs/dbraw/zinc/66/38/66/378663866.db2.gz MGQDEUHCDMOVHM-HNNXBMFYSA-N 1 1 288.322 3.158 20 30 CGEDMO C=CCOc1ccc(CNC2CC[NH+](C)CC2)cc1Cl ZINC000266155562 190235320 /nfs/dbraw/zinc/23/53/20/190235320.db2.gz YBQWBHZTTBJWIE-UHFFFAOYSA-N 1 1 294.826 3.089 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)CC1CCC(=O)CC1 ZINC000347728934 378725180 /nfs/dbraw/zinc/72/51/80/378725180.db2.gz BIHJLHUGWYQCQO-UHFFFAOYSA-N 1 1 250.386 3.007 20 30 CGEDMO CC[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1nccs1 ZINC000347927196 378731649 /nfs/dbraw/zinc/73/16/49/378731649.db2.gz QCPUISWANUKBQQ-AWEZNQCLSA-N 1 1 271.389 3.450 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC000348030995 378760095 /nfs/dbraw/zinc/76/00/95/378760095.db2.gz JXROOLOVUVVOBU-OAHLLOKOSA-N 1 1 275.392 3.077 20 30 CGEDMO C=CCOCCC[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000348040980 378763225 /nfs/dbraw/zinc/76/32/25/378763225.db2.gz WAQRAXYKPBRZJW-QGZVFWFLSA-N 1 1 275.392 3.123 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(OCc2ccccn2)cc1)C1CC1 ZINC000274190255 378790158 /nfs/dbraw/zinc/79/01/58/378790158.db2.gz PYXSQKOCIHRZRF-UHFFFAOYSA-N 1 1 292.382 3.258 20 30 CGEDMO C[N@@H+](CCCC1CCOCC1)Cc1ccc(C#N)cc1 ZINC000274250876 378797571 /nfs/dbraw/zinc/79/75/71/378797571.db2.gz YXSNHDOZDXMHSR-UHFFFAOYSA-N 1 1 272.392 3.197 20 30 CGEDMO C=CCOCCC[N@@H+]1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000348029200 378758529 /nfs/dbraw/zinc/75/85/29/378758529.db2.gz HYNYHTLRXXBFJE-WMLDXEAASA-N 1 1 293.382 3.180 20 30 CGEDMO C=CCOCC[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000274355879 378818221 /nfs/dbraw/zinc/81/82/21/378818221.db2.gz HIBWFIFCLZTQFT-QMMMGPOBSA-N 1 1 280.315 3.015 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)cc1C#N ZINC000348221959 378845532 /nfs/dbraw/zinc/84/55/32/378845532.db2.gz BZNXSZNTHQFYBH-ZWNOBZJWSA-N 1 1 298.308 3.340 20 30 CGEDMO CC(C)(CO)[C@@H]([NH2+]Cc1ccc(C#N)o1)c1ccccc1 ZINC000348355688 378924818 /nfs/dbraw/zinc/92/48/18/378924818.db2.gz LMWYZIKZSLSELD-INIZCTEOSA-N 1 1 284.359 3.001 20 30 CGEDMO Cc1nc([C@@H](C)[NH2+]Cc2ccc(CC#N)cc2)cs1 ZINC000348327368 378911389 /nfs/dbraw/zinc/91/13/89/378911389.db2.gz UQBPBSGMGHIGFI-LLVKDONJSA-N 1 1 271.389 3.368 20 30 CGEDMO C#CC[C@@H]([NH2+][C@@H](C)c1cc(C(=O)OC)co1)c1ccccc1 ZINC000278626719 194074355 /nfs/dbraw/zinc/07/43/55/194074355.db2.gz GPBZAWQAUIOPEZ-XJKSGUPXSA-N 1 1 297.354 3.481 20 30 CGEDMO C=C(C)C[N@H+](CCC[C@H]1CCO1)Cc1cnn(C(C)C)c1 ZINC000639161382 379080032 /nfs/dbraw/zinc/08/00/32/379080032.db2.gz CXKAKCRTOZFJBV-KRWDZBQOSA-N 1 1 291.439 3.411 20 30 CGEDMO CC[N@H+](Cc1cc(C#N)cs1)Cc1ccncc1 ZINC000348894681 379104744 /nfs/dbraw/zinc/10/47/44/379104744.db2.gz OQRBFUBGAUILDV-UHFFFAOYSA-N 1 1 257.362 3.037 20 30 CGEDMO CC[N@@H+](Cc1cc(C#N)cs1)Cc1ccncc1 ZINC000348894681 379104753 /nfs/dbraw/zinc/10/47/53/379104753.db2.gz OQRBFUBGAUILDV-UHFFFAOYSA-N 1 1 257.362 3.037 20 30 CGEDMO CC(=O)c1ccc(C#N)c(NC[C@@H]2CCCC[N@H+]2C2CC2)c1 ZINC000277425516 379155739 /nfs/dbraw/zinc/15/57/39/379155739.db2.gz LZJFZMRWLHTPBX-KRWDZBQOSA-N 1 1 297.402 3.190 20 30 CGEDMO C=CC[C@@H](C)[C@@H](C)[NH2+]C1CC(N2CCCCC2)C1 ZINC000373494266 379290893 /nfs/dbraw/zinc/29/08/93/379290893.db2.gz JZCXDYUEJUTMOD-WXLSXGNJSA-N 1 1 250.430 3.194 20 30 CGEDMO CC[C@@H]([NH2+][C@@H](C)Cc1cc(C)[nH]n1)c1ccc(C#N)cc1 ZINC000278887939 194196828 /nfs/dbraw/zinc/19/68/28/194196828.db2.gz YIWUMKJSTHOVBB-YVEFUNNKSA-N 1 1 282.391 3.262 20 30 CGEDMO CC[C@@H](NCCC[NH+]1CCCC1)c1ccc(C#N)cc1 ZINC000278235973 379323278 /nfs/dbraw/zinc/32/32/78/379323278.db2.gz KWBKBQUEHNSRAA-QGZVFWFLSA-N 1 1 271.408 3.085 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)s1 ZINC000278456011 379394228 /nfs/dbraw/zinc/39/42/28/379394228.db2.gz YYRPREHAPOFWFV-SECBINFHSA-N 1 1 274.311 3.394 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000374003329 379359488 /nfs/dbraw/zinc/35/94/88/379359488.db2.gz PBXYGGAYCDGDED-ZDUSSCGKSA-N 1 1 270.307 3.280 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(C)cc2C)n1 ZINC000279436839 379433559 /nfs/dbraw/zinc/43/35/59/379433559.db2.gz QYJGHMYDJXVRBI-UHFFFAOYSA-N 1 1 281.403 3.155 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)Cc2ccc(C)cc2C)n1 ZINC000279436839 379433570 /nfs/dbraw/zinc/43/35/70/379433570.db2.gz QYJGHMYDJXVRBI-UHFFFAOYSA-N 1 1 281.403 3.155 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375468191 379499218 /nfs/dbraw/zinc/49/92/18/379499218.db2.gz ZYJPEYBYMHZDCO-AWEZNQCLSA-N 1 1 275.396 3.483 20 30 CGEDMO C[C@H](CC1CCOCC1)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000350003511 379476758 /nfs/dbraw/zinc/47/67/58/379476758.db2.gz BBPRYVSVSKWPMN-OAHLLOKOSA-N 1 1 286.419 3.443 20 30 CGEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2cc(C#N)ccn2)C1 ZINC000376176942 379526711 /nfs/dbraw/zinc/52/67/11/379526711.db2.gz ZCWDCLILDOZHIC-DOTOQJQBSA-N 1 1 298.434 3.044 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)Cc2ccncc2)cc1 ZINC000350096414 379505584 /nfs/dbraw/zinc/50/55/84/379505584.db2.gz CKPXSWDDAGXGEE-UHFFFAOYSA-N 1 1 268.360 3.278 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000279763551 379509761 /nfs/dbraw/zinc/50/97/61/379509761.db2.gz MKVOWHYMFUINGH-XJKSGUPXSA-N 1 1 272.392 3.366 20 30 CGEDMO C[C@H]1c2nnc(C3CCCC3)n2CC[N@H+]1CCCCC#N ZINC000376532115 379573381 /nfs/dbraw/zinc/57/33/81/379573381.db2.gz RDOFBEVVTOMNTL-ZDUSSCGKSA-N 1 1 287.411 3.006 20 30 CGEDMO C[C@H]1c2nnc(C3CCCC3)n2CC[N@@H+]1CCCCC#N ZINC000376532115 379573388 /nfs/dbraw/zinc/57/33/88/379573388.db2.gz RDOFBEVVTOMNTL-ZDUSSCGKSA-N 1 1 287.411 3.006 20 30 CGEDMO C=CC[N@H+](C[C@H](C)CC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000350986750 379621400 /nfs/dbraw/zinc/62/14/00/379621400.db2.gz GCRBWLJCOCUBEK-HUUCEWRRSA-N 1 1 299.422 3.257 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccc(OC)cc1)[C@H](C)CCCO ZINC000640013852 379685646 /nfs/dbraw/zinc/68/56/46/379685646.db2.gz TZGYSFGBYUTCAT-OAHLLOKOSA-N 1 1 277.408 3.234 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](C[C@H]1CCCO1)C1CCC(C)CC1 ZINC000351329127 379713887 /nfs/dbraw/zinc/71/38/87/379713887.db2.gz OJVPXEJLENDMBS-OPQOLIRYSA-N 1 1 295.467 3.373 20 30 CGEDMO C[C@H](CCC#N)[N@@H+](C)CCOc1cccc(Cl)c1 ZINC000351607056 379730187 /nfs/dbraw/zinc/73/01/87/379730187.db2.gz GTXMHAIIVMGNMG-GFCCVEGCSA-N 1 1 266.772 3.343 20 30 CGEDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1Cc1ccccc1C(C)(C)C#N ZINC000351942641 379747922 /nfs/dbraw/zinc/74/79/22/379747922.db2.gz BHRKYGFAZZPYFS-GJZGRUSLSA-N 1 1 285.435 3.012 20 30 CGEDMO C[C@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)[C@@H](C)CN1C ZINC000351942641 379747925 /nfs/dbraw/zinc/74/79/25/379747925.db2.gz BHRKYGFAZZPYFS-GJZGRUSLSA-N 1 1 285.435 3.012 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@@H](C)CN1C ZINC000351942641 379747928 /nfs/dbraw/zinc/74/79/28/379747928.db2.gz BHRKYGFAZZPYFS-GJZGRUSLSA-N 1 1 285.435 3.012 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000351920115 379748312 /nfs/dbraw/zinc/74/83/12/379748312.db2.gz XFLFUQMSIHZVGK-QGZVFWFLSA-N 1 1 288.435 3.494 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCSC2(CCOCC2)C1 ZINC000352038146 379752683 /nfs/dbraw/zinc/75/26/83/379752683.db2.gz DZPSFEAMRBVYCP-AWEZNQCLSA-N 1 1 269.454 3.329 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCC=C(Br)C1 ZINC000281607696 379841149 /nfs/dbraw/zinc/84/11/49/379841149.db2.gz ITSGRZPJRLBRIJ-UHFFFAOYSA-N 1 1 271.202 3.301 20 30 CGEDMO C[C@H]1CSCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000380366710 379863447 /nfs/dbraw/zinc/86/34/47/379863447.db2.gz LOSAEICWYPFJDT-CYBMUJFWSA-N 1 1 254.443 3.391 20 30 CGEDMO Cc1cc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)ccc1C#N ZINC000352441561 379816157 /nfs/dbraw/zinc/81/61/57/379816157.db2.gz ZAVZWOAFSOUOSE-ROUUACIJSA-N 1 1 296.414 3.400 20 30 CGEDMO Cc1ccc(C)c(OCC[NH+]2CCC(F)(C#N)CC2)c1 ZINC000352463990 379825951 /nfs/dbraw/zinc/82/59/51/379825951.db2.gz NGVKRJBCLCAFNN-UHFFFAOYSA-N 1 1 276.355 3.010 20 30 CGEDMO COc1cc(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)ccc1C#N ZINC000282229445 379876967 /nfs/dbraw/zinc/87/69/67/379876967.db2.gz IKOUZGUXZNTJJR-LBPRGKRZSA-N 1 1 298.308 3.341 20 30 CGEDMO COc1cc(C[N@@H+](C)[C@H](C)c2ccncc2)ccc1C#N ZINC000282309638 379894938 /nfs/dbraw/zinc/89/49/38/379894938.db2.gz MWGOJIPCNSAACA-CYBMUJFWSA-N 1 1 281.359 3.155 20 30 CGEDMO CC#CCC[N@@H+](C)Cc1cccc(Br)c1 ZINC000404224127 379979336 /nfs/dbraw/zinc/97/93/36/379979336.db2.gz ZOAODLOVTWQBBW-UHFFFAOYSA-N 1 1 266.182 3.294 20 30 CGEDMO CCOC[C@H]1CCCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000399247506 379936820 /nfs/dbraw/zinc/93/68/20/379936820.db2.gz KRSMCDSVWBQVSZ-QGZVFWFLSA-N 1 1 272.392 3.144 20 30 CGEDMO N#Cc1csc(C[NH2+][C@@H](c2cccs2)C2CC2)n1 ZINC000352823465 379982620 /nfs/dbraw/zinc/98/26/20/379982620.db2.gz NKLDJORQYVVXTK-CYBMUJFWSA-N 1 1 275.402 3.317 20 30 CGEDMO Cc1ccccc1[C@@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000352843866 379999136 /nfs/dbraw/zinc/99/91/36/379999136.db2.gz CSCZOIPJAYFCKX-LLVKDONJSA-N 1 1 257.362 3.174 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC([N@@H+](C)Cc2ccccc2)C1 ZINC000352871310 380014471 /nfs/dbraw/zinc/01/44/71/380014471.db2.gz SZOCBTJESOBHBF-UHFFFAOYSA-N 1 1 298.430 3.098 20 30 CGEDMO CN(CC[C@H]1CCCC[N@H+]1C)Cc1cccc(C#N)c1F ZINC000352887047 380019824 /nfs/dbraw/zinc/01/98/24/380019824.db2.gz IXMRXSWYRYIIGH-MRXNPFEDSA-N 1 1 289.398 3.004 20 30 CGEDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1ccnc(C#N)c1 ZINC000283490643 380066900 /nfs/dbraw/zinc/06/69/00/380066900.db2.gz HVQHYZRVJNNUNM-UHFFFAOYSA-N 1 1 294.402 3.406 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000353023949 380079599 /nfs/dbraw/zinc/07/95/99/380079599.db2.gz GMTMITCEHXAWNQ-DGCLKSJQSA-N 1 1 280.318 3.180 20 30 CGEDMO C=C(C)C[N@H+](CCOCC1CC1)Cc1cnn(C(C)C)c1 ZINC000352921396 380039778 /nfs/dbraw/zinc/03/97/78/380039778.db2.gz ICZOIYGZGSHNOY-UHFFFAOYSA-N 1 1 291.439 3.269 20 30 CGEDMO N#CC1(CCN2CC[C@H](C[NH+]3CCCC3)C2)CCCCC1 ZINC000411285098 380139477 /nfs/dbraw/zinc/13/94/77/380139477.db2.gz QNSYYFMZVMJUHQ-QGZVFWFLSA-N 1 1 289.467 3.268 20 30 CGEDMO C[C@@H]1C[C@H](Nc2ccc(C#N)cn2)C[N@H+]1Cc1ccccc1 ZINC000268117790 190378270 /nfs/dbraw/zinc/37/82/70/190378270.db2.gz FFWQOAKVNKPKEE-PBHICJAKSA-N 1 1 292.386 3.028 20 30 CGEDMO C[C@@H]1C[C@@H](Nc2ncccc2C#N)C[N@H+]1Cc1ccccc1 ZINC000268117713 190378333 /nfs/dbraw/zinc/37/83/33/190378333.db2.gz FDVFQMPTBKRCJH-RHSMWYFYSA-N 1 1 292.386 3.028 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)[C@@H](C)c1nnc(CC)o1 ZINC000411202958 380133087 /nfs/dbraw/zinc/13/30/87/380133087.db2.gz WLXYVKXIZNHPRY-AWEZNQCLSA-N 1 1 285.391 3.424 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)[C@@H](C)c1nnc(CC)o1 ZINC000411202958 380133097 /nfs/dbraw/zinc/13/30/97/380133097.db2.gz WLXYVKXIZNHPRY-AWEZNQCLSA-N 1 1 285.391 3.424 20 30 CGEDMO N#Cc1ccc2c(c1)[C@H](N[C@@H]1CC[N@@H+](C3CCCC3)C1)CC2 ZINC000353389022 380206384 /nfs/dbraw/zinc/20/63/84/380206384.db2.gz QXAVQCQSVUUZIE-VQIMIIECSA-N 1 1 295.430 3.152 20 30 CGEDMO N#Cc1ccc2c(c1)[C@H](N[C@@H]1CC[N@H+](C3CCCC3)C1)CC2 ZINC000353389022 380206387 /nfs/dbraw/zinc/20/63/87/380206387.db2.gz QXAVQCQSVUUZIE-VQIMIIECSA-N 1 1 295.430 3.152 20 30 CGEDMO C=CCC[C@H]([NH2+]Cc1ccc2cncn2c1)C1CC1 ZINC000414163274 380195454 /nfs/dbraw/zinc/19/54/54/380195454.db2.gz FWMATVAKTCSEER-INIZCTEOSA-N 1 1 255.365 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](Oc2ccccc2OC)C1 ZINC000353261843 380196166 /nfs/dbraw/zinc/19/61/66/380196166.db2.gz QYNMSMOZZTTWQM-CQSZACIVSA-N 1 1 261.365 3.115 20 30 CGEDMO CN(c1ccc(Cl)cc1C#N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286329281 380197130 /nfs/dbraw/zinc/19/71/30/380197130.db2.gz KEAYUFMZIOCFFL-YIONKMFJSA-N 1 1 289.810 3.273 20 30 CGEDMO CO[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)CC[C@H]1C ZINC000411613985 380151141 /nfs/dbraw/zinc/15/11/41/380151141.db2.gz QMPMEPQYXNXOCK-CABCVRRESA-N 1 1 264.413 3.207 20 30 CGEDMO C=CCC[C@H](C)[NH2+]CC(F)(F)c1cccc(OC)n1 ZINC000353969432 380258301 /nfs/dbraw/zinc/25/83/01/380258301.db2.gz AGUGNJYTLIMBMM-NSHDSACASA-N 1 1 270.323 3.126 20 30 CGEDMO CC(C)[C@H]1[N@@H+](CC(C)(C)CCC#N)CC12CCOCC2 ZINC000414539593 380309674 /nfs/dbraw/zinc/30/96/74/380309674.db2.gz NLCFAOGXTUDJPS-OAHLLOKOSA-N 1 1 278.440 3.453 20 30 CGEDMO CC[N@H+]1CC[C@@H](N(C)c2cccc(F)c2C#N)C[C@H]1C ZINC000354351846 380410117 /nfs/dbraw/zinc/41/01/17/380410117.db2.gz FTNIUAPBTHMYPW-CHWSQXEVSA-N 1 1 275.371 3.006 20 30 CGEDMO CC[C@H]1CCCC[N@H+]1CCNc1nc2c(cc1C#N)CCC2 ZINC000354605779 380502285 /nfs/dbraw/zinc/50/22/85/380502285.db2.gz CPIWEATYKWHBHL-INIZCTEOSA-N 1 1 298.434 3.118 20 30 CGEDMO C=CCOCC[N@H+](CCC)Cc1ccc(OC)cc1 ZINC000645080290 380573781 /nfs/dbraw/zinc/57/37/81/380573781.db2.gz JKKGDEWXCFGVJP-UHFFFAOYSA-N 1 1 263.381 3.110 20 30 CGEDMO COCC#CC[N@H+]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000645229600 380625197 /nfs/dbraw/zinc/62/51/97/380625197.db2.gz IITFAZAVOPHFQX-HXUWFJFHSA-N 1 1 291.394 3.284 20 30 CGEDMO CC[C@](C)(C#N)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000355669015 380744640 /nfs/dbraw/zinc/74/46/40/380744640.db2.gz RSIDTNRJSPTRGR-OAHLLOKOSA-N 1 1 293.798 3.280 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000355777074 380775154 /nfs/dbraw/zinc/77/51/54/380775154.db2.gz CFMNRODJSJICEY-RDBSUJKOSA-N 1 1 272.392 3.433 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H](CC(C)C)OC ZINC000419291016 380796405 /nfs/dbraw/zinc/79/64/05/380796405.db2.gz ZOECYWAVHUDGFC-QGZVFWFLSA-N 1 1 295.423 3.211 20 30 CGEDMO C[N@@H+](CCC(C)(C)C#N)C1CC(OC(C)(C)C)C1 ZINC000421016786 380869823 /nfs/dbraw/zinc/86/98/23/380869823.db2.gz VBFJLMFFJIBSAC-UHFFFAOYSA-N 1 1 252.402 3.204 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](O)CC23CCC3)cc1 ZINC000421367487 380903067 /nfs/dbraw/zinc/90/30/67/380903067.db2.gz DUCUPULSHSWJLZ-INIZCTEOSA-N 1 1 287.403 3.131 20 30 CGEDMO C[C@H]1C[C@@H](Nc2cccnc2C#N)C[N@H+]1Cc1ccccc1 ZINC000357533053 381198531 /nfs/dbraw/zinc/19/85/31/381198531.db2.gz PKYVOFYHWBCELL-GOEBONIOSA-N 1 1 292.386 3.028 20 30 CGEDMO C[C@@H]1CCC[C@@H](C)[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000357739561 381271441 /nfs/dbraw/zinc/27/14/41/381271441.db2.gz HVMSYFSYTNHUKF-ZIAGYGMSSA-N 1 1 285.391 3.007 20 30 CGEDMO C=C(CC)C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000358511412 381314184 /nfs/dbraw/zinc/31/41/84/381314184.db2.gz RMOMPKNJBQOMOE-UHFFFAOYSA-N 1 1 269.392 3.037 20 30 CGEDMO C=C(CC)C[N@@H+](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000358614187 381319169 /nfs/dbraw/zinc/31/91/69/381319169.db2.gz LLTQPZFUBJDHDB-KRWDZBQOSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C(CC)CN(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000358614187 381319172 /nfs/dbraw/zinc/31/91/72/381319172.db2.gz LLTQPZFUBJDHDB-KRWDZBQOSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C(CC)CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000358614187 381319178 /nfs/dbraw/zinc/31/91/78/381319178.db2.gz LLTQPZFUBJDHDB-KRWDZBQOSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C(CC)C[NH+]1CCN(C(=O)Nc2cccc(C)c2)CC1 ZINC000358639546 381320869 /nfs/dbraw/zinc/32/08/69/381320869.db2.gz ZHQTVZUWLIPSQK-UHFFFAOYSA-N 1 1 287.407 3.111 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000359551537 381352846 /nfs/dbraw/zinc/35/28/46/381352846.db2.gz FMNHHLMFNHVRBQ-XYJFISCASA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000359551535 381353522 /nfs/dbraw/zinc/35/35/22/381353522.db2.gz FMNHHLMFNHVRBQ-SOLBZPMBSA-N 1 1 292.467 3.312 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)CCC(=O)N1CCCCC1 ZINC000359597982 381354776 /nfs/dbraw/zinc/35/47/76/381354776.db2.gz OPGRFSFQEMEDGK-UHFFFAOYSA-N 1 1 293.455 3.041 20 30 CGEDMO COCC1(C)CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000360124202 381453357 /nfs/dbraw/zinc/45/33/57/381453357.db2.gz SCGHZJBRKTVIOX-UHFFFAOYSA-N 1 1 292.810 3.460 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000361446837 381750478 /nfs/dbraw/zinc/75/04/78/381750478.db2.gz FZLLOQSJFITRPK-OAHLLOKOSA-N 1 1 292.810 3.143 20 30 CGEDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000361550651 381796356 /nfs/dbraw/zinc/79/63/56/381796356.db2.gz GGDKIUDWFMOEDF-BBRMVZONSA-N 1 1 259.397 3.297 20 30 CGEDMO C[N@H+](CC1(C#N)CC1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000361597482 381827926 /nfs/dbraw/zinc/82/79/26/381827926.db2.gz YWAIMQCUZJTNPG-MNOVXSKESA-N 1 1 260.303 3.343 20 30 CGEDMO C[N@@H+](CC1(C#N)CC1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000361597482 381827931 /nfs/dbraw/zinc/82/79/31/381827931.db2.gz YWAIMQCUZJTNPG-MNOVXSKESA-N 1 1 260.303 3.343 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](CC1CC1)C1CCC1 ZINC000361582974 381818880 /nfs/dbraw/zinc/81/88/80/381818880.db2.gz KOPNHTPKXDQPFM-UHFFFAOYSA-N 1 1 270.376 3.331 20 30 CGEDMO C=CC[N@H+](CCOC)[C@@H]1CCc2c1cccc2Cl ZINC000361998140 381878904 /nfs/dbraw/zinc/87/89/04/381878904.db2.gz BQIYOYHVEIKYSE-OAHLLOKOSA-N 1 1 265.784 3.462 20 30 CGEDMO COCC[N@@H+](Cc1ccccc1C#N)[C@@H]1CC[C@H](C)C1 ZINC000361640602 381850922 /nfs/dbraw/zinc/85/09/22/381850922.db2.gz VDMPDAIIYAFTCY-WMLDXEAASA-N 1 1 272.392 3.195 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccc(F)cc1C(F)(F)F ZINC000361646922 381857397 /nfs/dbraw/zinc/85/73/97/381857397.db2.gz JDAFNCOVCPBAFA-UHFFFAOYSA-N 1 1 291.288 3.479 20 30 CGEDMO C=CCCC[N@H+](CCC(=O)OC)Cc1cccc(F)c1F ZINC000362422018 381985479 /nfs/dbraw/zinc/98/54/79/381985479.db2.gz VNRTZWZGBGCVGA-UHFFFAOYSA-N 1 1 297.345 3.296 20 30 CGEDMO Cc1ccc2[nH]c3c(c2c1)C[N@@H+](CCCSCC#N)CC3 ZINC000363582111 382235475 /nfs/dbraw/zinc/23/54/75/382235475.db2.gz LRFPXSRSJZTNPA-UHFFFAOYSA-N 1 1 299.443 3.481 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC000366777934 382318188 /nfs/dbraw/zinc/31/81/88/382318188.db2.gz AZPTZTWRVJQUHP-WBVHZDCISA-N 1 1 290.382 3.043 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000367821347 382358459 /nfs/dbraw/zinc/35/84/59/382358459.db2.gz GZDSSDQADZOMBF-MRXNPFEDSA-N 1 1 278.440 3.455 20 30 CGEDMO Cn1nccc1[C@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000369001126 382384550 /nfs/dbraw/zinc/38/45/50/382384550.db2.gz KSENIYAKTOLQGB-HNNXBMFYSA-N 1 1 288.439 3.320 20 30 CGEDMO CSc1ccc(OCC[NH+]2CCC(F)(C#N)CC2)cc1 ZINC000352479659 532986542 /nfs/dbraw/zinc/98/65/42/532986542.db2.gz BFJVJMXBDLQGGM-UHFFFAOYSA-N 1 1 294.395 3.115 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](CCCCOC(C)(C)C)C1CC1 ZINC000354735274 533149236 /nfs/dbraw/zinc/14/92/36/533149236.db2.gz PPEAYDBHZROLSK-ZDUSSCGKSA-N 1 1 252.402 3.206 20 30 CGEDMO C[C@H]1[C@H](Nc2ncccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000288289390 197044262 /nfs/dbraw/zinc/04/42/62/197044262.db2.gz RUKMAJYNBUNOPI-WMLDXEAASA-N 1 1 292.386 3.028 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@@H](CC(C)C)C2)cc1C#N ZINC000307771639 542422821 /nfs/dbraw/zinc/42/28/21/542422821.db2.gz HQBLWXPDJHUCLX-HNNXBMFYSA-N 1 1 272.392 3.435 20 30 CGEDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1CCCCC(C)(C)C#N ZINC000336806204 262395624 /nfs/dbraw/zinc/39/56/24/262395624.db2.gz LAEJYFKGNQXPQH-HUUCEWRRSA-N 1 1 266.429 3.332 20 30 CGEDMO CCOC[C@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000336806367 262395696 /nfs/dbraw/zinc/39/56/96/262395696.db2.gz VZMHXQWLOMXLSN-HNNXBMFYSA-N 1 1 266.429 3.455 20 30 CGEDMO C=CCCCCC[N@@H+](C)Cc1c(Cl)cnn1C ZINC000187315954 262399511 /nfs/dbraw/zinc/39/95/11/262399511.db2.gz NXKWLTHYSCIKCH-UHFFFAOYSA-N 1 1 255.793 3.252 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1c(Cl)cnn1C ZINC000187315954 262399512 /nfs/dbraw/zinc/39/95/12/262399512.db2.gz NXKWLTHYSCIKCH-UHFFFAOYSA-N 1 1 255.793 3.252 20 30 CGEDMO COc1c(O)cccc1C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425364123 533443577 /nfs/dbraw/zinc/44/35/77/533443577.db2.gz FJNGGAVKHKLPLK-CYBMUJFWSA-N 1 1 296.370 3.465 20 30 CGEDMO COc1c(O)cccc1C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425364123 533443582 /nfs/dbraw/zinc/44/35/82/533443582.db2.gz FJNGGAVKHKLPLK-CYBMUJFWSA-N 1 1 296.370 3.465 20 30 CGEDMO Cc1nc([C@H](C)[NH2+]Cc2cccc(C#N)c2)cs1 ZINC000037748869 391982493 /nfs/dbraw/zinc/98/24/93/391982493.db2.gz WMDYZCDZULSAFJ-JTQLQIEISA-N 1 1 257.362 3.174 20 30 CGEDMO COc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)cc1F ZINC000026256637 391951216 /nfs/dbraw/zinc/95/12/16/391951216.db2.gz CJDGCYQOMDFSFY-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO CC[C@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000037022699 391978534 /nfs/dbraw/zinc/97/85/34/391978534.db2.gz OWTKRWPPJAVPMI-INIZCTEOSA-N 1 1 285.391 3.151 20 30 CGEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ncccc1C ZINC000093168581 392235946 /nfs/dbraw/zinc/23/59/46/392235946.db2.gz RQEMNCJXLWBWPH-UHFFFAOYSA-N 1 1 277.371 3.450 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ncccc1C ZINC000093168581 392235948 /nfs/dbraw/zinc/23/59/48/392235948.db2.gz RQEMNCJXLWBWPH-UHFFFAOYSA-N 1 1 277.371 3.450 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC000093443360 392237367 /nfs/dbraw/zinc/23/73/67/392237367.db2.gz HHCATYXIIFVQPU-CALCHBBNSA-N 1 1 283.419 3.268 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@@H+](C)C2CCC2)cc1 ZINC000093475872 392237997 /nfs/dbraw/zinc/23/79/97/392237997.db2.gz WBIVKBFWXAXCIX-UHFFFAOYSA-N 1 1 257.381 3.021 20 30 CGEDMO C=CCCC[N@@H+](CC(=O)OCC)Cc1ccccc1 ZINC000096687062 392258959 /nfs/dbraw/zinc/25/89/59/392258959.db2.gz SUBUQHAQSPXQBU-UHFFFAOYSA-N 1 1 261.365 3.018 20 30 CGEDMO C=CCCC[N@H+](CC(=O)OCC)Cc1ccccc1 ZINC000096687062 392258963 /nfs/dbraw/zinc/25/89/63/392258963.db2.gz SUBUQHAQSPXQBU-UHFFFAOYSA-N 1 1 261.365 3.018 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000285408350 392322275 /nfs/dbraw/zinc/32/22/75/392322275.db2.gz FPZKIUMZYGGBKH-ZDUSSCGKSA-N 1 1 294.354 3.219 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCOc2cc(O)ccc2C1 ZINC000285408350 392322278 /nfs/dbraw/zinc/32/22/78/392322278.db2.gz FPZKIUMZYGGBKH-ZDUSSCGKSA-N 1 1 294.354 3.219 20 30 CGEDMO C=C(C)CN1CCC([NH2+][C@H](C)c2cc(C)ccn2)CC1 ZINC000285916593 392349057 /nfs/dbraw/zinc/34/90/57/392349057.db2.gz DNSUUYQAPHDTQS-OAHLLOKOSA-N 1 1 273.424 3.081 20 30 CGEDMO C=CC[N@@H+](C)Cc1nc2cc(Br)ccc2o1 ZINC000285475337 392324528 /nfs/dbraw/zinc/32/45/28/392324528.db2.gz ZUOGDZCDYMWJQT-UHFFFAOYSA-N 1 1 281.153 3.208 20 30 CGEDMO C=CC[N@H+](C)Cc1nc2cc(Br)ccc2o1 ZINC000285475337 392324532 /nfs/dbraw/zinc/32/45/32/392324532.db2.gz ZUOGDZCDYMWJQT-UHFFFAOYSA-N 1 1 281.153 3.208 20 30 CGEDMO Cc1noc(C)c1C(C)(C)[NH2+]CC#Cc1ccc(F)cc1 ZINC000285528477 392325177 /nfs/dbraw/zinc/32/51/77/392325177.db2.gz FILWTFKGRFTHBE-UHFFFAOYSA-N 1 1 286.350 3.307 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000246035600 131091888 /nfs/dbraw/zinc/09/18/88/131091888.db2.gz QODPQVLWETUDDX-HZPDHXFCSA-N 1 1 295.810 3.040 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000246035600 131091889 /nfs/dbraw/zinc/09/18/89/131091889.db2.gz QODPQVLWETUDDX-HZPDHXFCSA-N 1 1 295.810 3.040 20 30 CGEDMO COc1ccc(CC[N@@H+](CCC#N)CC(C)C)cc1OC ZINC000115556459 392389876 /nfs/dbraw/zinc/38/98/76/392389876.db2.gz RALMRNNSBJZFSQ-UHFFFAOYSA-N 1 1 290.407 3.118 20 30 CGEDMO C(#Cc1ccccc1)C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000289484414 392422391 /nfs/dbraw/zinc/42/23/91/392422391.db2.gz IOYJVSLAZDNOKU-ZWKOTPCHSA-N 1 1 281.399 3.072 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000289484414 392422395 /nfs/dbraw/zinc/42/23/95/392422395.db2.gz IOYJVSLAZDNOKU-ZWKOTPCHSA-N 1 1 281.399 3.072 20 30 CGEDMO C#Cc1ccc(CN[C@@H](C[NH+](C)C)c2ccc(F)cc2)cc1 ZINC000290661698 392453986 /nfs/dbraw/zinc/45/39/86/392453986.db2.gz ZTUGXCQXKZKGKC-IBGZPJMESA-N 1 1 296.389 3.200 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000121042550 392406623 /nfs/dbraw/zinc/40/66/23/392406623.db2.gz RMTXWANDTXYGIV-AWEZNQCLSA-N 1 1 292.398 3.243 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](C)Cc1ccccc1Br ZINC000121071747 392406795 /nfs/dbraw/zinc/40/67/95/392406795.db2.gz ICBHRBIUVMORFX-CYBMUJFWSA-N 1 1 298.224 3.208 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)Cc1ccccc1Br ZINC000121071747 392406804 /nfs/dbraw/zinc/40/68/04/392406804.db2.gz ICBHRBIUVMORFX-CYBMUJFWSA-N 1 1 298.224 3.208 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC000121097100 392408980 /nfs/dbraw/zinc/40/89/80/392408980.db2.gz GIKJGGGIXGGQJN-LBPRGKRZSA-N 1 1 264.344 3.051 20 30 CGEDMO CC#CCC[N@H+](Cc1cccc(OC)c1)C[C@@H]1CCCO1 ZINC000155225366 392539786 /nfs/dbraw/zinc/53/97/86/392539786.db2.gz ZNVDTPIWNJDAJP-SFHVURJKSA-N 1 1 287.403 3.090 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cccc(C(=O)NC)c1 ZINC000150881174 392481591 /nfs/dbraw/zinc/48/15/91/392481591.db2.gz QLBIRQFEHRVNRF-UHFFFAOYSA-N 1 1 274.408 3.224 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCSC2(CCCCC2)C1 ZINC000150880538 392481797 /nfs/dbraw/zinc/48/17/97/392481797.db2.gz FZHVPVRMDNCEHF-AWEZNQCLSA-N 1 1 269.454 3.065 20 30 CGEDMO CCN(CCCC#N)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000373993651 392667068 /nfs/dbraw/zinc/66/70/68/392667068.db2.gz SPAOERVLOUUUFU-AEFFLSMTSA-N 1 1 285.435 3.448 20 30 CGEDMO CC[N@H+](CCCC#N)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000373993651 392667076 /nfs/dbraw/zinc/66/70/76/392667076.db2.gz SPAOERVLOUUUFU-AEFFLSMTSA-N 1 1 285.435 3.448 20 30 CGEDMO CC[N@@H+](CCCC#N)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000373993651 392667081 /nfs/dbraw/zinc/66/70/81/392667081.db2.gz SPAOERVLOUUUFU-AEFFLSMTSA-N 1 1 285.435 3.448 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000302846607 392621370 /nfs/dbraw/zinc/62/13/70/392621370.db2.gz JLNSDDONKFJPHV-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO CC(C)(C#N)CCC[N@@H+](CCO)[C@H]1CCc2ccccc21 ZINC000174859283 392647462 /nfs/dbraw/zinc/64/74/62/392647462.db2.gz SUROWTLPDHKLEB-KRWDZBQOSA-N 1 1 286.419 3.298 20 30 CGEDMO C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C1CCC1 ZINC000174877015 392647650 /nfs/dbraw/zinc/64/76/50/392647650.db2.gz HTVVTBZAWUYGCL-UHFFFAOYSA-N 1 1 295.386 3.222 20 30 CGEDMO CC(C)C[C@@H]1CC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000307773312 392655230 /nfs/dbraw/zinc/65/52/30/392655230.db2.gz JNYAJPRZWPNJQG-INIZCTEOSA-N 1 1 272.392 3.305 20 30 CGEDMO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000334493790 392732106 /nfs/dbraw/zinc/73/21/06/392732106.db2.gz PMKNTKAJHQRPPW-FZMZJTMJSA-N 1 1 257.312 3.089 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182844738 392749532 /nfs/dbraw/zinc/74/95/32/392749532.db2.gz CATBFQPJZUVUTG-LLVKDONJSA-N 1 1 273.302 3.115 20 30 CGEDMO Cc1n[nH]cc1C1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000375363351 392773329 /nfs/dbraw/zinc/77/33/29/392773329.db2.gz UROZCTIBBAOJTD-UHFFFAOYSA-N 1 1 298.365 3.109 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000186252622 392780264 /nfs/dbraw/zinc/78/02/64/392780264.db2.gz YRTIQQXOKNHXBN-CALCHBBNSA-N 1 1 254.377 3.489 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+](C)Cc1cc(Cl)cn1C ZINC000186256243 392780662 /nfs/dbraw/zinc/78/06/62/392780662.db2.gz HTVKDVDNDOESMX-UHFFFAOYSA-N 1 1 287.794 3.491 20 30 CGEDMO CC#CC[N@@H+](C)[C@H](C)c1ccc(OC(F)F)cc1 ZINC000519762707 392891828 /nfs/dbraw/zinc/89/18/28/392891828.db2.gz CCYRAMLKSIUWTQ-LLVKDONJSA-N 1 1 253.292 3.304 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000338376979 392912733 /nfs/dbraw/zinc/91/27/33/392912733.db2.gz SQGYYILEIWZKAH-AEFFLSMTSA-N 1 1 298.430 3.189 20 30 CGEDMO C[C@H](C#N)C[N@H+](Cc1cc2ccccc2[nH]c1=O)C1CC1 ZINC000338384652 392914289 /nfs/dbraw/zinc/91/42/89/392914289.db2.gz SLVRHCFILKRANE-GFCCVEGCSA-N 1 1 281.359 3.064 20 30 CGEDMO C[C@H](C#N)C[N@@H+](Cc1cc2ccccc2[nH]c1=O)C1CC1 ZINC000338384652 392914296 /nfs/dbraw/zinc/91/42/96/392914296.db2.gz SLVRHCFILKRANE-GFCCVEGCSA-N 1 1 281.359 3.064 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc(CC)c1 ZINC000489446811 542715106 /nfs/dbraw/zinc/71/51/06/542715106.db2.gz OMHXBKSXLIWBMG-MRXNPFEDSA-N 1 1 272.392 3.228 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(CC)c1 ZINC000489446811 542715112 /nfs/dbraw/zinc/71/51/12/542715112.db2.gz OMHXBKSXLIWBMG-MRXNPFEDSA-N 1 1 272.392 3.228 20 30 CGEDMO C=C[C@@H](C)[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000339051923 392943994 /nfs/dbraw/zinc/94/39/94/392943994.db2.gz ZYBUKYVMGWXUBB-SECBINFHSA-N 1 1 297.189 3.238 20 30 CGEDMO COCCCC[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000397308282 392944149 /nfs/dbraw/zinc/94/41/49/392944149.db2.gz NLXKZBWTXOTBCI-UHFFFAOYSA-N 1 1 266.772 3.070 20 30 CGEDMO N#CCCOCC[N@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000339081304 392944969 /nfs/dbraw/zinc/94/49/69/392944969.db2.gz NVOCLODYZOKZPN-FVNWOWOISA-N 1 1 270.376 3.094 20 30 CGEDMO COc1ccc([C@H]([NH2+]Cc2ccccc2C#N)C2CC2)cn1 ZINC000527840043 392961353 /nfs/dbraw/zinc/96/13/53/392961353.db2.gz BPNAYUPMKQXLQF-GOSISDBHSA-N 1 1 293.370 3.203 20 30 CGEDMO N#Cc1ccccc1OCC[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000530962339 392988277 /nfs/dbraw/zinc/98/82/77/392988277.db2.gz OUMOMUSEGDDMGN-QGZVFWFLSA-N 1 1 293.370 3.169 20 30 CGEDMO N#CCc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000411921156 392990791 /nfs/dbraw/zinc/99/07/91/392990791.db2.gz HFVDADQRNWOCGL-RTBURBONSA-N 1 1 292.382 3.061 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000412076614 392995574 /nfs/dbraw/zinc/99/55/74/392995574.db2.gz SORLKOYNIOSXAO-OAHLLOKOSA-N 1 1 297.439 3.023 20 30 CGEDMO CC(C)(C)OC(=O)CC[C@H]1CCC[N@@H+](CCCC#N)C1 ZINC000412071996 392995633 /nfs/dbraw/zinc/99/56/33/392995633.db2.gz PNHNMPOGXGRJHQ-CQSZACIVSA-N 1 1 280.412 3.124 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000343144920 393019564 /nfs/dbraw/zinc/01/95/64/393019564.db2.gz XZNXBFZSBMMGAP-KRWDZBQOSA-N 1 1 286.419 3.076 20 30 CGEDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1cn2ccccc2c1C#N ZINC000466915334 393068411 /nfs/dbraw/zinc/06/84/11/393068411.db2.gz JFIWEKVHIPXHIB-HIFRSBDPSA-N 1 1 267.376 3.431 20 30 CGEDMO N#CC1(F)CC[NH+](C/C=C\c2ccc(F)cc2)CC1 ZINC000348701182 393127439 /nfs/dbraw/zinc/12/74/39/393127439.db2.gz CISPJPUAJUGAAJ-UPHRSURJSA-N 1 1 262.303 3.167 20 30 CGEDMO Cc1nc2ccc(C[NH+]3CCC(F)(C#N)CC3)cc2s1 ZINC000348677331 393127605 /nfs/dbraw/zinc/12/76/05/393127605.db2.gz UTTDEOGIVSLHCG-UHFFFAOYSA-N 1 1 289.379 3.432 20 30 CGEDMO Cc1nn(C(C)(C)C)c(C)c1C[NH+]1CCC(F)(C#N)CC1 ZINC000348714640 393129461 /nfs/dbraw/zinc/12/94/61/393129461.db2.gz NZVROBSRHKYLBN-UHFFFAOYSA-N 1 1 292.402 3.083 20 30 CGEDMO CC(C)(CN[C@@H]1CCc2ccc(C#N)cc21)C[NH+]1CCCC1 ZINC000353648361 393229517 /nfs/dbraw/zinc/22/95/17/393229517.db2.gz ABGSRJUWWSLPHU-GOSISDBHSA-N 1 1 297.446 3.257 20 30 CGEDMO C=CCC(C)(C)CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000648913745 393289533 /nfs/dbraw/zinc/28/95/33/393289533.db2.gz OHHVGCYKEJRSMC-ZDUSSCGKSA-N 1 1 277.412 3.115 20 30 CGEDMO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)Cc1nc(C#N)cs1 ZINC000356132738 393360615 /nfs/dbraw/zinc/36/06/15/393360615.db2.gz WDJPBVAHKVMNMB-QWHCGFSZSA-N 1 1 293.436 3.040 20 30 CGEDMO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356132738 393360617 /nfs/dbraw/zinc/36/06/17/393360617.db2.gz WDJPBVAHKVMNMB-QWHCGFSZSA-N 1 1 293.436 3.040 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000649407717 393414529 /nfs/dbraw/zinc/41/45/29/393414529.db2.gz JIMNHSSWUNOMAH-JKSUJKDBSA-N 1 1 251.414 3.481 20 30 CGEDMO C[C@@H]1CC[C@@H]([N@@H+](C)CCCOc2cccc(C#N)c2)C1 ZINC000429578328 393485973 /nfs/dbraw/zinc/48/59/73/393485973.db2.gz IKIFGRUDZFVWBB-GDBMZVCRSA-N 1 1 272.392 3.448 20 30 CGEDMO C[C@H]1CC[C@H]([N@@H+](C)CCOc2ccc(C#N)cc2)C1 ZINC000429583351 393488394 /nfs/dbraw/zinc/48/83/94/393488394.db2.gz KDBZIFBBUJABMI-ZFWWWQNUSA-N 1 1 258.365 3.057 20 30 CGEDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C#N)c(C)c2)C[C@H]1C ZINC000488458001 393522267 /nfs/dbraw/zinc/52/22/67/393522267.db2.gz JOKKXVJORGOBQR-CRAIPNDOSA-N 1 1 285.435 3.171 20 30 CGEDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(C#N)c(C)c2)C[C@H]1C ZINC000488458001 393522288 /nfs/dbraw/zinc/52/22/88/393522288.db2.gz JOKKXVJORGOBQR-CRAIPNDOSA-N 1 1 285.435 3.171 20 30 CGEDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)c(C)c2)C[C@H]1C ZINC000488458001 393522291 /nfs/dbraw/zinc/52/22/91/393522291.db2.gz JOKKXVJORGOBQR-CRAIPNDOSA-N 1 1 285.435 3.171 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CC[C@](C)(c2cccc(F)c2)C1 ZINC000649663483 393531716 /nfs/dbraw/zinc/53/17/16/393531716.db2.gz HOHIWAAVNJAMGE-SJORKVTESA-N 1 1 277.383 3.116 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)[C@H](C)CSc1ccccc1 ZINC000649665693 393533235 /nfs/dbraw/zinc/53/32/35/393533235.db2.gz STLMNVJOXWLSAC-HUUCEWRRSA-N 1 1 279.449 3.426 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000489463230 393598215 /nfs/dbraw/zinc/59/82/15/393598215.db2.gz ZMORNMGJHKBZHA-OAHLLOKOSA-N 1 1 256.349 3.107 20 30 CGEDMO N#Cc1c(Cl)cccc1SCCC[NH+]1CCOCC1 ZINC000360949328 393622615 /nfs/dbraw/zinc/62/26/15/393622615.db2.gz JBGLDAAXANJYKY-UHFFFAOYSA-N 1 1 296.823 3.026 20 30 CGEDMO Cc1cc(C)c(C#N)c(N[C@H]2CC[N@@H+](CC3CCCC3)C2)n1 ZINC000361176756 393694671 /nfs/dbraw/zinc/69/46/71/393694671.db2.gz FWIPIFJQNXLMJB-INIZCTEOSA-N 1 1 298.434 3.247 20 30 CGEDMO CO[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)C[C@H]1C ZINC000451571265 394046495 /nfs/dbraw/zinc/04/64/95/394046495.db2.gz PYGWJNUYCKAHKE-ZIAGYGMSSA-N 1 1 252.402 3.063 20 30 CGEDMO COC[C@@H]1CCC[N@H+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000452074913 394050369 /nfs/dbraw/zinc/05/03/69/394050369.db2.gz CQPKMIWPKHEASL-GDBMZVCRSA-N 1 1 272.392 3.368 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000667656722 542908338 /nfs/dbraw/zinc/90/83/38/542908338.db2.gz PZORJDYPNAVFAI-KRWDZBQOSA-N 1 1 275.392 3.252 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cnc(C)n1C)Cc1ccccc1 ZINC000668090115 542968005 /nfs/dbraw/zinc/96/80/05/542968005.db2.gz FYLRBDWWIVVQLG-UHFFFAOYSA-N 1 1 269.392 3.307 20 30 CGEDMO C=C(C)C[N@H+](Cc1cnc(C)n1C)Cc1ccccc1 ZINC000668090115 542968010 /nfs/dbraw/zinc/96/80/10/542968010.db2.gz FYLRBDWWIVVQLG-UHFFFAOYSA-N 1 1 269.392 3.307 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cnc(CC)s2)C1 ZINC000668494114 543019962 /nfs/dbraw/zinc/01/99/62/543019962.db2.gz WDKGJSNIRNKTBE-LBPRGKRZSA-N 1 1 250.411 3.494 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc3c(c2)ncn3C)C1 ZINC000668493717 543020287 /nfs/dbraw/zinc/02/02/87/543020287.db2.gz RASADTTXRBQMHT-CQSZACIVSA-N 1 1 269.392 3.361 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000668493984 543020374 /nfs/dbraw/zinc/02/03/74/543020374.db2.gz SZFNZNVQCNRPBN-INIZCTEOSA-N 1 1 285.435 3.470 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000668493571 543020864 /nfs/dbraw/zinc/02/08/64/543020864.db2.gz PCBCZEMNCXQOSS-CQSZACIVSA-N 1 1 275.392 3.492 20 30 CGEDMO CCC#C[C@H](C)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000671723137 543180608 /nfs/dbraw/zinc/18/06/08/543180608.db2.gz GXMUBMFYBLOERL-AZUAARDMSA-N 1 1 296.458 3.386 20 30 CGEDMO CCC#C[C@H](C)[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000671723137 543180616 /nfs/dbraw/zinc/18/06/16/543180616.db2.gz GXMUBMFYBLOERL-AZUAARDMSA-N 1 1 296.458 3.386 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000671723137 543180618 /nfs/dbraw/zinc/18/06/18/543180618.db2.gz GXMUBMFYBLOERL-AZUAARDMSA-N 1 1 296.458 3.386 20 30 CGEDMO C=CCC[C@@H]([NH2+]Cc1cc(C)ncn1)c1ccco1 ZINC000671754271 543186745 /nfs/dbraw/zinc/18/67/45/543186745.db2.gz OAHYUDUFDOMAOG-CQSZACIVSA-N 1 1 257.337 3.175 20 30 CGEDMO C=C(C)C[N@@H+]1CCN(Cc2ccccc2)CC[C@H]1C ZINC000673757255 543253917 /nfs/dbraw/zinc/25/39/17/543253917.db2.gz JAQYBOVAKLHOJB-MRXNPFEDSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C(C)CN1CC[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000673757255 543253919 /nfs/dbraw/zinc/25/39/19/543253919.db2.gz JAQYBOVAKLHOJB-MRXNPFEDSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C(C)CN1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000673757255 543253921 /nfs/dbraw/zinc/25/39/21/543253921.db2.gz JAQYBOVAKLHOJB-MRXNPFEDSA-N 1 1 258.409 3.159 20 30 CGEDMO CC[N@@H+](CC#Cc1ccc(Cl)cc1)C[C@H]1CCOC1 ZINC000674250788 543276947 /nfs/dbraw/zinc/27/69/47/543276947.db2.gz GICDGFMCPDDPDQ-OAHLLOKOSA-N 1 1 277.795 3.050 20 30 CGEDMO N#Cc1cccc([C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000306216564 397677081 /nfs/dbraw/zinc/67/70/81/397677081.db2.gz CEDXZGNSQZHMRF-GOSISDBHSA-N 1 1 278.355 3.132 20 30 CGEDMO N#Cc1cccc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000306216564 397677083 /nfs/dbraw/zinc/67/70/83/397677083.db2.gz CEDXZGNSQZHMRF-GOSISDBHSA-N 1 1 278.355 3.132 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000397799256 397698192 /nfs/dbraw/zinc/69/81/92/397698192.db2.gz FPBKXCNOFGSOBB-AWEZNQCLSA-N 1 1 265.360 3.360 20 30 CGEDMO CC(C)C[C@@H](CN[C@H](C)c1ccc(C#N)c(F)c1)[NH+](C)C ZINC000537408736 397711699 /nfs/dbraw/zinc/71/16/99/397711699.db2.gz LKIQFMSNBKYHSP-CJNGLKHVSA-N 1 1 291.414 3.324 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](CCC)Cc1ccccc1F ZINC000675493427 543344143 /nfs/dbraw/zinc/34/41/43/543344143.db2.gz IDBPBPPELUHPFX-HNNXBMFYSA-N 1 1 265.372 3.365 20 30 CGEDMO CCC#C[C@H](C)[N@@H+](C)Cc1cc(OC)c(OC)cc1C ZINC000677132562 543435383 /nfs/dbraw/zinc/43/53/83/543435383.db2.gz FOQLBRGBQRQHLJ-AWEZNQCLSA-N 1 1 275.392 3.246 20 30 CGEDMO CCC[N@@H+](CC#CCOC)[C@@H](C)c1ccccc1OC ZINC000677818958 543468356 /nfs/dbraw/zinc/46/83/56/543468356.db2.gz ZBCQLLFGYCRZHO-HNNXBMFYSA-N 1 1 275.392 3.118 20 30 CGEDMO COCC#CC[N@@H+]1CC=C(c2cc(C)cc(C)c2)CC1 ZINC000678315358 543514300 /nfs/dbraw/zinc/51/43/00/543514300.db2.gz BHYKYRHBOFSINC-UHFFFAOYSA-N 1 1 269.388 3.042 20 30 CGEDMO CC[C@@H](CSC)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000091099555 165258033 /nfs/dbraw/zinc/25/80/33/165258033.db2.gz XSXYKRWXYJQMJT-ZDUSSCGKSA-N 1 1 266.385 3.271 20 30 CGEDMO C[C@H](c1ccncc1)[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000091989008 165278603 /nfs/dbraw/zinc/27/86/03/165278603.db2.gz DONIZHNJHYWOLZ-OAHLLOKOSA-N 1 1 295.386 3.415 20 30 CGEDMO COc1ccc(C[N@H+](C)Cc2ccc(C#N)o2)cc1C ZINC000092787094 165310458 /nfs/dbraw/zinc/31/04/58/165310458.db2.gz QJBPZTNRLNECID-UHFFFAOYSA-N 1 1 270.332 3.100 20 30 CGEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)o2)cc1C ZINC000092787094 165310464 /nfs/dbraw/zinc/31/04/64/165310464.db2.gz QJBPZTNRLNECID-UHFFFAOYSA-N 1 1 270.332 3.100 20 30 CGEDMO CCCN1CCC([NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000020189665 171055584 /nfs/dbraw/zinc/05/55/84/171055584.db2.gz VBUINIVXFQXRJR-AWEZNQCLSA-N 1 1 271.408 3.083 20 30 CGEDMO CC[C@@H]1CCCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000077012501 177147520 /nfs/dbraw/zinc/14/75/20/177147520.db2.gz YAUFLEAIEQOUJQ-OAHLLOKOSA-N 1 1 258.365 3.353 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000077012490 177147751 /nfs/dbraw/zinc/14/77/51/177147751.db2.gz MDHRRYVQELKTGC-OKILXGFUSA-N 1 1 258.365 3.067 20 30 CGEDMO CC[N@H+]1CCC[C@@H](Nc2c(C#N)cnc3ccccc32)C1 ZINC000048505751 416454994 /nfs/dbraw/zinc/45/49/94/416454994.db2.gz LIPQROCBZJYFAE-CQSZACIVSA-N 1 1 280.375 3.003 20 30 CGEDMO C[C@H](Cc1[nH]cc[nH+]1)OCC#Cc1cccc(Cl)c1 ZINC000679923142 543667735 /nfs/dbraw/zinc/66/77/35/543667735.db2.gz DSHYCLJZKLGLEZ-GFCCVEGCSA-N 1 1 274.751 3.062 20 30 CGEDMO C=C(C)[C@@H]([NH2+]Cc1cn[nH]c1)c1ccc(F)c(F)c1 ZINC000681375621 543784518 /nfs/dbraw/zinc/78/45/18/543784518.db2.gz WXERKWLNFJMQMA-CQSZACIVSA-N 1 1 263.291 3.095 20 30 CGEDMO CCC#C[C@H](C)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000681412721 543787879 /nfs/dbraw/zinc/78/78/79/543787879.db2.gz RLDQYYYZDRRBHU-LNLFQRSKSA-N 1 1 284.447 3.289 20 30 CGEDMO CCC#C[C@H](C)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000681412721 543787882 /nfs/dbraw/zinc/78/78/82/543787882.db2.gz RLDQYYYZDRRBHU-LNLFQRSKSA-N 1 1 284.447 3.289 20 30 CGEDMO C[C@@H]1CCC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000334176191 287359340 /nfs/dbraw/zinc/35/93/40/287359340.db2.gz AGLZZKGSZFLYHL-DOMZBBRYSA-N 1 1 271.364 3.257 20 30 CGEDMO Cc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)cc1[N+](=O)[O-] ZINC000130757112 287362533 /nfs/dbraw/zinc/36/25/33/287362533.db2.gz LXQJBAKCXCBEIA-UHFFFAOYSA-N 1 1 295.342 3.407 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cs1)Cc1cccc(C#N)c1 ZINC000130784752 287362970 /nfs/dbraw/zinc/36/29/70/287362970.db2.gz UJMGGSNFYLFXPW-UHFFFAOYSA-N 1 1 267.357 3.123 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1cccc(C#N)c1 ZINC000130784752 287362971 /nfs/dbraw/zinc/36/29/71/287362971.db2.gz UJMGGSNFYLFXPW-UHFFFAOYSA-N 1 1 267.357 3.123 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(O)cc1 ZINC000682407037 543842229 /nfs/dbraw/zinc/84/22/29/543842229.db2.gz MKCMTQXVGQMVKJ-UHFFFAOYSA-N 1 1 257.333 3.216 20 30 CGEDMO CC(C)(C)[C@@H]1CC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000131334572 287376266 /nfs/dbraw/zinc/37/62/66/287376266.db2.gz QRSHPNVRRIEYOP-OAHLLOKOSA-N 1 1 272.392 3.305 20 30 CGEDMO Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2CCC(C)(C#N)CC2)c1 ZINC000336442470 227018938 /nfs/dbraw/zinc/01/89/38/227018938.db2.gz UYLIEDQTRBYVOW-OAHLLOKOSA-N 1 1 299.418 3.256 20 30 CGEDMO N#CCC1CC[NH+](Cc2cc(F)c(F)c(F)c2)CC1 ZINC000336593362 227146387 /nfs/dbraw/zinc/14/63/87/227146387.db2.gz OAVCMWAIPKKALU-UHFFFAOYSA-N 1 1 268.282 3.230 20 30 CGEDMO C[C@@H](C#N)C[N@H+](C)CC[C@@H](C)OCc1ccccc1 ZINC000354862835 227180653 /nfs/dbraw/zinc/18/06/53/227180653.db2.gz ITFDRVSEVALACV-LSDHHAIUSA-N 1 1 260.381 3.073 20 30 CGEDMO Cc1cnc([C@H](C)[N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)o1 ZINC000329091999 227292639 /nfs/dbraw/zinc/29/26/39/227292639.db2.gz AKBDNIQQZUPRGU-JSGCOSHPSA-N 1 1 291.395 3.123 20 30 CGEDMO C=CC[C@H]1N(C(=O)[C@@H](C)Cc2cnc[nH]2)CCCC1(C)C ZINC000655034329 419016217 /nfs/dbraw/zinc/01/62/17/419016217.db2.gz YCXYXRKDYCFZBS-DZGCQCFKSA-N 1 1 289.423 3.182 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O ZINC000659947041 419042081 /nfs/dbraw/zinc/04/20/81/419042081.db2.gz LKLBQCGJQYRLNB-OWCLPIDISA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCn1cc(C[N@H+](CC(C)C)CC(C)(C)C)nn1 ZINC000653569690 419051594 /nfs/dbraw/zinc/05/15/94/419051594.db2.gz DXQIRLZSXQSWFF-UHFFFAOYSA-N 1 1 278.444 3.358 20 30 CGEDMO C=CCCn1cc(C[N@H+](C)[C@H](C)Cc2ccccc2C)nn1 ZINC000653647668 419065286 /nfs/dbraw/zinc/06/52/86/419065286.db2.gz PPEFZKSQMUDRLX-MRXNPFEDSA-N 1 1 298.434 3.226 20 30 CGEDMO C=CCC[N@H+](C)CCSc1cccc(OC)c1 ZINC000660403385 419136894 /nfs/dbraw/zinc/13/68/94/419136894.db2.gz YOMBSUYOEMQGAW-UHFFFAOYSA-N 1 1 251.395 3.295 20 30 CGEDMO C=CC[N@@H+](Cc1cc(C)sc1C)[C@H](C)COC ZINC000661240877 419243594 /nfs/dbraw/zinc/24/35/94/419243594.db2.gz SNSZOSQJHNAGOI-LLVKDONJSA-N 1 1 253.411 3.388 20 30 CGEDMO C=CC[N@@H+](Cc1cc(C)ccc1F)[C@@H](C)COC ZINC000661241313 419244166 /nfs/dbraw/zinc/24/41/66/419244166.db2.gz VQAVWTROYCYCOY-ZDUSSCGKSA-N 1 1 251.345 3.157 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(-c2ccccn2)nc1)[C@@H](C)COC ZINC000661241087 419244275 /nfs/dbraw/zinc/24/42/75/419244275.db2.gz WTKDLQFBOQFRHW-HNNXBMFYSA-N 1 1 297.402 3.167 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2nnc(C(C)C)s2)C1 ZINC000661384092 419255170 /nfs/dbraw/zinc/25/51/70/419255170.db2.gz GUDHDGAPFQMSPV-LBPRGKRZSA-N 1 1 265.426 3.450 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2nnc(C(C)C)s2)C1 ZINC000661384092 419255173 /nfs/dbraw/zinc/25/51/73/419255173.db2.gz GUDHDGAPFQMSPV-LBPRGKRZSA-N 1 1 265.426 3.450 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@@H]2CCc3ccccc3NC2=O)C1 ZINC000661387597 419256888 /nfs/dbraw/zinc/25/68/88/419256888.db2.gz YXTIZWDXMAJTEC-WMLDXEAASA-N 1 1 284.403 3.228 20 30 CGEDMO C=CCc1cc(C[NH+]2CC3(CC(F)C3)C2)cc(OC)c1O ZINC000656693785 419204766 /nfs/dbraw/zinc/20/47/66/419204766.db2.gz BYLAGXYWRJOACX-UHFFFAOYSA-N 1 1 291.366 3.063 20 30 CGEDMO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1noc(C2CC2)n1 ZINC000661115554 419231982 /nfs/dbraw/zinc/23/19/82/419231982.db2.gz DIBKVJKOBOTZPX-AAEUAGOBSA-N 1 1 261.369 3.172 20 30 CGEDMO C=CC[C@@H](CC)NC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000661121757 419232608 /nfs/dbraw/zinc/23/26/08/419232608.db2.gz GDAIJDIUDCJVQO-CABCVRRESA-N 1 1 293.455 3.047 20 30 CGEDMO C=CC[N@@H+](CC(=O)c1cc(C)n(C)c1C)C(C)(C)C ZINC000661754963 419294846 /nfs/dbraw/zinc/29/48/46/419294846.db2.gz ILNURAREZOOHGB-UHFFFAOYSA-N 1 1 262.397 3.111 20 30 CGEDMO C=CC[N@H+](CC(=O)c1cc(C)n(C)c1C)C(C)(C)C ZINC000661754963 419294847 /nfs/dbraw/zinc/29/48/47/419294847.db2.gz ILNURAREZOOHGB-UHFFFAOYSA-N 1 1 262.397 3.111 20 30 CGEDMO C=CC[N@H+](C[C@H](O)COc1cccc(C)c1)C(C)(C)C ZINC000661754923 419295088 /nfs/dbraw/zinc/29/50/88/419295088.db2.gz HHZKUDCLSSHYEY-HNNXBMFYSA-N 1 1 277.408 3.021 20 30 CGEDMO C=CC[N@H+](CCC(=O)N(C)c1ccccc1)C(C)(C)C ZINC000661759197 419296295 /nfs/dbraw/zinc/29/62/95/419296295.db2.gz DFRPJJRUMLLVIK-UHFFFAOYSA-N 1 1 274.408 3.326 20 30 CGEDMO C[C@H]1COC2(CCCC2)C[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000661980511 419318889 /nfs/dbraw/zinc/31/88/89/419318889.db2.gz IGNOAJIHVYNZBE-HNNXBMFYSA-N 1 1 287.378 3.211 20 30 CGEDMO C[C@H]1COC2(CCCC2)C[N@H+]1CC#Cc1ccc(F)cc1 ZINC000661980511 419318891 /nfs/dbraw/zinc/31/88/91/419318891.db2.gz IGNOAJIHVYNZBE-HNNXBMFYSA-N 1 1 287.378 3.211 20 30 CGEDMO C[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C[C@H](C)O1 ZINC000661856990 419305883 /nfs/dbraw/zinc/30/58/83/419305883.db2.gz KULMIKHHQZVCAT-KGLIPLIRSA-N 1 1 277.795 3.191 20 30 CGEDMO C[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C[C@H](C)O1 ZINC000661856990 419305885 /nfs/dbraw/zinc/30/58/85/419305885.db2.gz KULMIKHHQZVCAT-KGLIPLIRSA-N 1 1 277.795 3.191 20 30 CGEDMO N#Cc1cc(C[NH+]2CCC3(CCCC3=O)CC2)ccc1F ZINC000661956312 419314642 /nfs/dbraw/zinc/31/46/42/419314642.db2.gz YDICIOFHUHKFMO-UHFFFAOYSA-N 1 1 286.350 3.033 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@H]2CC(C)(C)c3ccccc32)nn1 ZINC000657403256 419271184 /nfs/dbraw/zinc/27/11/84/419271184.db2.gz VUBZGALZQLZHAR-KRWDZBQOSA-N 1 1 296.418 3.366 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CN(c2ccccc2)CCO1 ZINC000662089016 419334690 /nfs/dbraw/zinc/33/46/90/419334690.db2.gz QWUAGRDHNWTYCQ-CEXWTWQISA-N 1 1 298.430 3.075 20 30 CGEDMO OC[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1ccsc1 ZINC000352033327 228176515 /nfs/dbraw/zinc/17/65/15/228176515.db2.gz SEBQHEMYLMRCRD-OAHLLOKOSA-N 1 1 291.803 3.076 20 30 CGEDMO C=CCC[C@@H](CO)Nc1cc(C(F)(F)F)cc(C)[nH+]1 ZINC000663991073 419787821 /nfs/dbraw/zinc/78/78/21/419787821.db2.gz MUBWWZGXAFTYHS-NSHDSACASA-N 1 1 274.286 3.148 20 30 CGEDMO C=CC[C@@H]1[N@@H+](CCc2cncn2C)CCCC1(C)C ZINC000297812512 260135644 /nfs/dbraw/zinc/13/56/44/260135644.db2.gz YGLSXZKZLAQNEX-HNNXBMFYSA-N 1 1 261.413 3.029 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(F)c(Br)c1 ZINC000054182457 260216769 /nfs/dbraw/zinc/21/67/69/260216769.db2.gz STIUEXQOIBLPFW-JTQLQIEISA-N 1 1 285.160 3.370 20 30 CGEDMO C=CCC[C@@H](NC(=O)[C@@H](C)[NH+]1CC(C)C1)c1ccccc1 ZINC000518212152 260356849 /nfs/dbraw/zinc/35/68/49/260356849.db2.gz CVCHQFXAZIPPPK-NVXWUHKLSA-N 1 1 286.419 3.150 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2C[C@H](O)C(C)(C)C2)cc1Cl ZINC000448360690 261126245 /nfs/dbraw/zinc/12/62/45/261126245.db2.gz CRTOXFQEBYKQNG-HNNXBMFYSA-N 1 1 295.810 3.108 20 30 CGEDMO Cc1cnn(CCCCC[N@H+](CC#N)C2CCCC2)c1 ZINC000156747154 261130951 /nfs/dbraw/zinc/13/09/51/261130951.db2.gz SMZRPXWEWMQQKM-UHFFFAOYSA-N 1 1 274.412 3.130 20 30 CGEDMO Cc1cnn(CCCCC[N@@H+](CC#N)C2CCCC2)c1 ZINC000156747154 261130952 /nfs/dbraw/zinc/13/09/52/261130952.db2.gz SMZRPXWEWMQQKM-UHFFFAOYSA-N 1 1 274.412 3.130 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2nc(CC)cc(=O)[nH]2)CCCC1(C)C ZINC000444785655 261179558 /nfs/dbraw/zinc/17/95/58/261179558.db2.gz RQDLUQLYKHLICV-AWEZNQCLSA-N 1 1 289.423 3.311 20 30 CGEDMO C[C@@H]1CSCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000177265230 261344218 /nfs/dbraw/zinc/34/42/18/261344218.db2.gz AFCHBCAMRZENPN-GFCCVEGCSA-N 1 1 265.809 3.129 20 30 CGEDMO C[C@@H]1CSCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000177265230 261344219 /nfs/dbraw/zinc/34/42/19/261344219.db2.gz AFCHBCAMRZENPN-GFCCVEGCSA-N 1 1 265.809 3.129 20 30 CGEDMO CCCCCCC[N@@H+]1CCOC[C@H]1c1c(C)n[nH]c1C ZINC000368574217 262079682 /nfs/dbraw/zinc/07/96/82/262079682.db2.gz ABDMJLINYRGZKY-HNNXBMFYSA-N 1 1 279.428 3.370 20 30 CGEDMO CCCCCCC[N@H+]1CCOC[C@H]1c1c(C)n[nH]c1C ZINC000368574217 262079684 /nfs/dbraw/zinc/07/96/84/262079684.db2.gz ABDMJLINYRGZKY-HNNXBMFYSA-N 1 1 279.428 3.370 20 30 CGEDMO C=Cn1cc(C[NH2+][C@@H](CCC#N)c2ccccc2)cn1 ZINC000194392398 262237275 /nfs/dbraw/zinc/23/72/75/262237275.db2.gz BREMGOBRYVQOQJ-INIZCTEOSA-N 1 1 266.348 3.118 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)Cc1ccc2c(c1)CCO2 ZINC000111250243 262258272 /nfs/dbraw/zinc/25/82/72/262258272.db2.gz FSLMNWZJSGLDIO-UHFFFAOYSA-N 1 1 272.392 3.383 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc2c(c1)CCO2 ZINC000111250243 262258274 /nfs/dbraw/zinc/25/82/74/262258274.db2.gz FSLMNWZJSGLDIO-UHFFFAOYSA-N 1 1 272.392 3.383 20 30 CGEDMO C=CC1CC[NH+]([C@@H](C)c2nc(CCCC)no2)CC1 ZINC000111258517 262259205 /nfs/dbraw/zinc/25/92/05/262259205.db2.gz ZOIPCYWKMMEEHG-LBPRGKRZSA-N 1 1 263.385 3.371 20 30 CGEDMO C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@@H+]1CCCC#N ZINC000111278343 262260246 /nfs/dbraw/zinc/26/02/46/262260246.db2.gz PDDDYNFHICRERS-IJEWVQPXSA-N 1 1 258.365 3.141 20 30 CGEDMO C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@H+]1CCCC#N ZINC000111278343 262260247 /nfs/dbraw/zinc/26/02/47/262260247.db2.gz PDDDYNFHICRERS-IJEWVQPXSA-N 1 1 258.365 3.141 20 30 CGEDMO C=CCOc1ccc(CNC[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC000021519723 262388979 /nfs/dbraw/zinc/38/89/79/262388979.db2.gz MDKWAGBUQDQCOS-QGZVFWFLSA-N 1 1 290.451 3.317 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000336845422 262398934 /nfs/dbraw/zinc/39/89/34/262398934.db2.gz QCELDONYZMEDLK-MRXNPFEDSA-N 1 1 287.407 3.255 20 30 CGEDMO CCc1ccc(-c2noc([C@H](C)[NH2+]CCCC#N)n2)cc1 ZINC000273285265 263015022 /nfs/dbraw/zinc/01/50/22/263015022.db2.gz HNNCKBVXDBTVHC-LBPRGKRZSA-N 1 1 284.363 3.253 20 30 CGEDMO CCCCC(N)=[NH+]OCc1ccc(C(F)(F)F)cn1 ZINC000277617526 263042304 /nfs/dbraw/zinc/04/23/04/263042304.db2.gz NWYSTHXJEXZJPV-UHFFFAOYSA-N 1 1 275.274 3.079 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278930965 263051950 /nfs/dbraw/zinc/05/19/50/263051950.db2.gz WGEDRPFORXIJAR-CYBMUJFWSA-N 1 1 291.370 3.004 20 30 CGEDMO CC[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C(C)C ZINC000279382488 263055105 /nfs/dbraw/zinc/05/51/05/263055105.db2.gz KJJVJDJYQRXRCG-UHFFFAOYSA-N 1 1 297.406 3.089 20 30 CGEDMO C=C[C@H](CC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000340117790 263073030 /nfs/dbraw/zinc/07/30/30/263073030.db2.gz GLXKVNRWTIOIOW-BPQIPLTHSA-N 1 1 298.430 3.089 20 30 CGEDMO C=C[C@@H](CC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000340146048 263077894 /nfs/dbraw/zinc/07/78/94/263077894.db2.gz AWMZWHRSKCOLDM-MAUKXSAKSA-N 1 1 298.430 3.041 20 30 CGEDMO COc1ccc(C[N@@H+](CCCC#N)CC2CC2)c(OC)c1 ZINC000282934819 263079847 /nfs/dbraw/zinc/07/98/47/263079847.db2.gz YPBCRGOGHQRTEF-UHFFFAOYSA-N 1 1 288.391 3.220 20 30 CGEDMO COc1ccc2c(c1)C1(CC1)C[N@H+](CCC(C)(C)C#N)C2 ZINC000289773863 263112059 /nfs/dbraw/zinc/11/20/59/263112059.db2.gz ZZEKIULVEPECIN-UHFFFAOYSA-N 1 1 284.403 3.482 20 30 CGEDMO N#CCC[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000292773731 263134943 /nfs/dbraw/zinc/13/49/43/263134943.db2.gz UCZHEKZYHLHTFR-ZDUSSCGKSA-N 1 1 293.208 3.227 20 30 CGEDMO C[N@@H+](CCCOCc1ccccc1)[C@H]1CC[C@H](C#N)C1 ZINC000293683478 263146780 /nfs/dbraw/zinc/14/67/80/263146780.db2.gz AQQMXHFXZHUEBD-IRXDYDNUSA-N 1 1 272.392 3.217 20 30 CGEDMO C=C[C@H](CO)[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000353569977 263174938 /nfs/dbraw/zinc/17/49/38/263174938.db2.gz CVXCDSDINGJSDI-DGCLKSJQSA-N 1 1 274.389 3.008 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000298044873 263214412 /nfs/dbraw/zinc/21/44/12/263214412.db2.gz DEOSNNQTFXTTPB-GDBMZVCRSA-N 1 1 257.381 3.255 20 30 CGEDMO C[C@]12CC[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]1C2(F)F ZINC000298295594 263217456 /nfs/dbraw/zinc/21/74/56/263217456.db2.gz PIVHXYGLDFPFHQ-CABCVRRESA-N 1 1 292.329 3.066 20 30 CGEDMO C=CC[C@H](C)[C@@H](C)[NH2+]C1CCN(C2CCC2)CC1 ZINC000341472125 263341466 /nfs/dbraw/zinc/34/14/66/263341466.db2.gz ACGHCJPVYNKAAZ-UONOGXRCSA-N 1 1 250.430 3.194 20 30 CGEDMO C=CCC[C@H]([NH2+]Cc1c(C)nn(C)c1OC)c1ccco1 ZINC000353670650 263351693 /nfs/dbraw/zinc/35/16/93/263351693.db2.gz IKVDNPGFQZVOGZ-AWEZNQCLSA-N 1 1 289.379 3.127 20 30 CGEDMO C=C1CCN(C(=O)c2ccc(C[N@H+](CC)C3CC3)cc2)CC1 ZINC000342096196 263386965 /nfs/dbraw/zinc/38/69/65/263386965.db2.gz QTKMUCTWNJYZOZ-UHFFFAOYSA-N 1 1 298.430 3.463 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000342734351 263482782 /nfs/dbraw/zinc/48/27/82/263482782.db2.gz JVUPXTYOBNRDDJ-UHFFFAOYSA-N 1 1 288.435 3.322 20 30 CGEDMO C=CCc1cc(C[N@H+](C)Cc2ccco2)cc(OC)c1O ZINC000162151157 264310362 /nfs/dbraw/zinc/31/03/62/264310362.db2.gz UUPWPOSDYIZWGF-UHFFFAOYSA-N 1 1 287.359 3.354 20 30 CGEDMO C=CCc1cc(C[N@@H+](C)Cc2ccco2)cc(OC)c1O ZINC000162151157 264310364 /nfs/dbraw/zinc/31/03/64/264310364.db2.gz UUPWPOSDYIZWGF-UHFFFAOYSA-N 1 1 287.359 3.354 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000129650834 264328337 /nfs/dbraw/zinc/32/83/37/264328337.db2.gz OHDXSBWRVPCBOQ-CQSZACIVSA-N 1 1 270.380 3.226 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H](OC)C1CC1 ZINC000425457249 264330060 /nfs/dbraw/zinc/33/00/60/264330060.db2.gz JYVSDZQNAKSQHI-QGZVFWFLSA-N 1 1 291.439 3.267 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccc(OCc2nccn2C)cc1 ZINC000076736950 264342967 /nfs/dbraw/zinc/34/29/67/264342967.db2.gz LASFGUPVJFJMBG-UHFFFAOYSA-N 1 1 299.418 3.397 20 30 CGEDMO C=CCCC[N@H+](C)Cc1nc(-c2cccs2)no1 ZINC000076735612 264344069 /nfs/dbraw/zinc/34/40/69/264344069.db2.gz ZXCFIDKZVMAXBC-UHFFFAOYSA-N 1 1 263.366 3.196 20 30 CGEDMO C=CCOCCC[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000347966412 265139072 /nfs/dbraw/zinc/13/90/72/265139072.db2.gz FYPQJRMKEBDREY-ZDUSSCGKSA-N 1 1 251.345 3.411 20 30 CGEDMO N#Cc1c(Cl)cccc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000107830116 270050483 /nfs/dbraw/zinc/05/04/83/270050483.db2.gz HIWONBPOLOPFNK-VXGBXAGGSA-N 1 1 275.783 3.250 20 30 CGEDMO COCC1(C#N)CC[NH+](Cc2cc(C)cc(Cl)c2)CC1 ZINC000353383644 266038609 /nfs/dbraw/zinc/03/86/09/266038609.db2.gz BTMWRKUDACUUKA-UHFFFAOYSA-N 1 1 292.810 3.401 20 30 CGEDMO CCN(CC)[C@H](C[NH2+]Cc1cccc(C#N)c1)CC(C)C ZINC000236894859 266119104 /nfs/dbraw/zinc/11/91/04/266119104.db2.gz XNLDDCUXSABFLI-SFHVURJKSA-N 1 1 287.451 3.404 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCCn1ccnc1 ZINC000367762476 267116640 /nfs/dbraw/zinc/11/66/40/267116640.db2.gz CICUYDBRSBSHGK-QZTJIDSGSA-N 1 1 294.402 3.045 20 30 CGEDMO CCOC1CC2(C1)CC[N@@H+](CC(C)(C)CCC#N)C2 ZINC000368038355 267139746 /nfs/dbraw/zinc/13/97/46/267139746.db2.gz OTKYYNDZOQNAIF-UHFFFAOYSA-N 1 1 264.413 3.207 20 30 CGEDMO CCCCCCC[N@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC000368353037 267164924 /nfs/dbraw/zinc/16/49/24/267164924.db2.gz AQKSTHOOKYNWQJ-UHFFFAOYSA-N 1 1 292.423 3.398 20 30 CGEDMO C[C@H]1CCSCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000279251195 267220295 /nfs/dbraw/zinc/22/02/95/267220295.db2.gz LDTSSRUBEWOYKY-NSHDSACASA-N 1 1 264.369 3.025 20 30 CGEDMO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000369242382 267229533 /nfs/dbraw/zinc/22/95/33/267229533.db2.gz JDSIQZVNKBRRIW-ROUUACIJSA-N 1 1 281.403 3.385 20 30 CGEDMO COc1ccc(C[N@H+](CCC#N)CCC(C)C)cc1 ZINC000123494475 268055788 /nfs/dbraw/zinc/05/57/88/268055788.db2.gz MEAOADXUEJUFRK-UHFFFAOYSA-N 1 1 260.381 3.457 20 30 CGEDMO COc1ccc(C[N@@H+](CCC#N)CCC(C)C)cc1 ZINC000123494475 268055789 /nfs/dbraw/zinc/05/57/89/268055789.db2.gz MEAOADXUEJUFRK-UHFFFAOYSA-N 1 1 260.381 3.457 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC000531200693 270205194 /nfs/dbraw/zinc/20/51/94/270205194.db2.gz RGGFUVQNQXJQQA-QGZVFWFLSA-N 1 1 263.344 3.290 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](CC3(F)CC3)CC2)cc1 ZINC000526973165 268212887 /nfs/dbraw/zinc/21/28/87/268212887.db2.gz LGULQBKSAOLEHW-UHFFFAOYSA-N 1 1 256.324 3.149 20 30 CGEDMO Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C#N)cc1F)CO2 ZINC000532987448 270220624 /nfs/dbraw/zinc/22/06/24/270220624.db2.gz PAPZKCXHOCUVHP-MRXNPFEDSA-N 1 1 282.318 3.229 20 30 CGEDMO C#CC[C@@H]([NH2+][C@H](C)c1nccn1CC)c1ccccc1 ZINC000296633904 277697120 /nfs/dbraw/zinc/69/71/20/277697120.db2.gz CJWHTSGPYAGAPE-GDBMZVCRSA-N 1 1 267.376 3.318 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000429047258 278309665 /nfs/dbraw/zinc/30/96/65/278309665.db2.gz YLMWSCPWKMEUIT-YYAJDYIMSA-N 1 1 297.446 3.281 20 30 CGEDMO C[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccon1 ZINC000349231305 279492478 /nfs/dbraw/zinc/49/24/78/279492478.db2.gz AFQGXKJOCBGIRK-LBPRGKRZSA-N 1 1 269.348 3.327 20 30 CGEDMO Cc1cccc([C@@H]2CCC[N@@H+]2CC2(C#N)CCC2)n1 ZINC000336190647 281252493 /nfs/dbraw/zinc/25/24/93/281252493.db2.gz KSYJOLOINNGCNR-HNNXBMFYSA-N 1 1 255.365 3.221 20 30 CGEDMO Cc1cccc([C@@H]2CCC[N@H+]2CC2(C#N)CCC2)n1 ZINC000336190647 281252494 /nfs/dbraw/zinc/25/24/94/281252494.db2.gz KSYJOLOINNGCNR-HNNXBMFYSA-N 1 1 255.365 3.221 20 30 CGEDMO COc1ccc(CNc2ccc(C3CCC3)c[nH+]2)cc1C#N ZINC000549924042 289060769 /nfs/dbraw/zinc/06/07/69/289060769.db2.gz QNFJOCGZYCEYQF-UHFFFAOYSA-N 1 1 293.370 3.263 20 30 CGEDMO COc1cccc(C[NH2+][C@H](CCC#N)c2ccccc2)n1 ZINC000181937887 327811129 /nfs/dbraw/zinc/81/11/29/327811129.db2.gz RIYFBKSPSPUDGI-MRXNPFEDSA-N 1 1 281.359 3.225 20 30 CGEDMO COc1cc(C)c(C[N@H+](CCC#N)C(C)C)cc1OC ZINC000534342117 328049785 /nfs/dbraw/zinc/04/97/85/328049785.db2.gz JLSJOJNOPXGIPJ-UHFFFAOYSA-N 1 1 276.380 3.136 20 30 CGEDMO COc1cc(C)c(C[N@@H+](CCC#N)C(C)C)cc1OC ZINC000534342117 328049786 /nfs/dbraw/zinc/04/97/86/328049786.db2.gz JLSJOJNOPXGIPJ-UHFFFAOYSA-N 1 1 276.380 3.136 20 30 CGEDMO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@@H+](CC2(C#N)CC2)C1 ZINC000412061398 328102015 /nfs/dbraw/zinc/10/20/15/328102015.db2.gz HNDNAUUNEHXMBD-AWEZNQCLSA-N 1 1 292.423 3.124 20 30 CGEDMO Cc1ccc2cc(C[N@@H+](C)C[C@@H](C)C#N)ccc2n1 ZINC000275671112 328215849 /nfs/dbraw/zinc/21/58/49/328215849.db2.gz GCLGXHCYLNTZPN-LBPRGKRZSA-N 1 1 253.349 3.135 20 30 CGEDMO Cc1ccc2cc(C[N@H+](C)C[C@@H](C)C#N)ccc2n1 ZINC000275671112 328215850 /nfs/dbraw/zinc/21/58/50/328215850.db2.gz GCLGXHCYLNTZPN-LBPRGKRZSA-N 1 1 253.349 3.135 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000290779246 328260305 /nfs/dbraw/zinc/26/03/05/328260305.db2.gz CTNVUSUWAXIXHI-CYBMUJFWSA-N 1 1 280.803 3.113 20 30 CGEDMO C[C@H]([NH2+]Cc1ccccc1CO)c1ccc(C#N)cc1F ZINC000305797601 321955637 /nfs/dbraw/zinc/95/56/37/321955637.db2.gz BGYNQLOWXMFXLT-LBPRGKRZSA-N 1 1 284.334 3.040 20 30 CGEDMO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000565158140 322063058 /nfs/dbraw/zinc/06/30/58/322063058.db2.gz QRIDLEHCXHVCJB-KRWDZBQOSA-N 1 1 280.375 3.019 20 30 CGEDMO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000565158140 322063060 /nfs/dbraw/zinc/06/30/60/322063060.db2.gz QRIDLEHCXHVCJB-KRWDZBQOSA-N 1 1 280.375 3.019 20 30 CGEDMO C[C@@H]1C[C@H](Nc2c(Cl)cccc2C#N)C[N@H+]1C1CC1 ZINC000565984620 322099704 /nfs/dbraw/zinc/09/97/04/322099704.db2.gz XUTJWLSRXJJKOL-PWSUYJOCSA-N 1 1 275.783 3.249 20 30 CGEDMO N#Cc1cccc(OCC[N@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC000566596024 322130796 /nfs/dbraw/zinc/13/07/96/322130796.db2.gz VOHUTLKTIPCLFW-GOSISDBHSA-N 1 1 293.370 3.169 20 30 CGEDMO CCCC[N@@H+](C)C[C@@H](C)Nc1c(F)cc(C#N)cc1F ZINC000568151338 322194871 /nfs/dbraw/zinc/19/48/71/322194871.db2.gz WXLYKFUZKCDUAD-LLVKDONJSA-N 1 1 281.350 3.369 20 30 CGEDMO N#Cc1ccc(Br)c(C[NH+]2C3CCC2CC3)c1 ZINC000568827736 322223962 /nfs/dbraw/zinc/22/39/62/322223962.db2.gz HIRUABWUSJSXBL-UHFFFAOYSA-N 1 1 291.192 3.448 20 30 CGEDMO Cc1ccccc1C[N@@H+](Cc1ccc(C#N)cn1)C1CC1 ZINC000570642289 322278646 /nfs/dbraw/zinc/27/86/46/322278646.db2.gz HTQURELISYJCTK-UHFFFAOYSA-N 1 1 277.371 3.426 20 30 CGEDMO N#CCSCCC[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000074991180 327122842 /nfs/dbraw/zinc/12/28/42/327122842.db2.gz PGJHHCSGHMDRSZ-HNNXBMFYSA-N 1 1 292.423 3.337 20 30 CGEDMO Cc1ccccc1[C@@H]1C[N@@H+]([C@H]2CC[C@H](C#N)C2)CCO1 ZINC000559105903 327141455 /nfs/dbraw/zinc/14/14/55/327141455.db2.gz JQNFRLZYEPRZTO-ZOBUZTSGSA-N 1 1 270.376 3.061 20 30 CGEDMO Cc1ccccc1[C@@H]1C[N@H+]([C@H]2CC[C@H](C#N)C2)CCO1 ZINC000559105903 327141456 /nfs/dbraw/zinc/14/14/56/327141456.db2.gz JQNFRLZYEPRZTO-ZOBUZTSGSA-N 1 1 270.376 3.061 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H](F)C2)cc1OC ZINC000518546914 327173419 /nfs/dbraw/zinc/17/34/19/327173419.db2.gz QUDNHGRYNDZVBY-AWEZNQCLSA-N 1 1 279.355 3.194 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H](F)C2)cc1OC ZINC000518546914 327173421 /nfs/dbraw/zinc/17/34/21/327173421.db2.gz QUDNHGRYNDZVBY-AWEZNQCLSA-N 1 1 279.355 3.194 20 30 CGEDMO COc1ccccc1[C@H]1CC[N@@H+](CCC(C)(C)C#N)C1 ZINC000119936257 327295880 /nfs/dbraw/zinc/29/58/80/327295880.db2.gz BIQRLOPXPAPPAV-AWEZNQCLSA-N 1 1 272.392 3.424 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(-c2cccnc2)cc1 ZINC000570238551 327578436 /nfs/dbraw/zinc/57/84/36/327578436.db2.gz DXEYXDGTSMGYFE-INIZCTEOSA-N 1 1 290.370 3.282 20 30 CGEDMO N#CCCCC[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000377725371 329027330 /nfs/dbraw/zinc/02/73/30/329027330.db2.gz NQMDYJIUEOUDAI-KRWDZBQOSA-N 1 1 270.376 3.150 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000378277767 329044948 /nfs/dbraw/zinc/04/49/48/329044948.db2.gz PSXZQAQNCCHGFZ-KRWDZBQOSA-N 1 1 284.403 3.058 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000378277767 329044949 /nfs/dbraw/zinc/04/49/49/329044949.db2.gz PSXZQAQNCCHGFZ-KRWDZBQOSA-N 1 1 284.403 3.058 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1ccncc1)CC1CCCCC1 ZINC000171988489 329082772 /nfs/dbraw/zinc/08/27/72/329082772.db2.gz WPLZHVXWVHVRBA-UHFFFAOYSA-N 1 1 287.407 3.088 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(Cl)cc1)C[C@@H]1CCCOC1 ZINC000177152116 329180574 /nfs/dbraw/zinc/18/05/74/329180574.db2.gz PGCOCIXGOXCRCB-HNNXBMFYSA-N 1 1 277.795 3.050 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](CC=C)Cc1ccccc1F ZINC000178077548 329192262 /nfs/dbraw/zinc/19/22/62/329192262.db2.gz XREMBVKADKSYTR-OAHLLOKOSA-N 1 1 263.356 3.141 20 30 CGEDMO C=CCC[N@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000178398641 329199625 /nfs/dbraw/zinc/19/96/25/329199625.db2.gz GYZJBPICSJLNTG-KRWDZBQOSA-N 1 1 259.393 3.325 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCSC[C@H]2C)cc1OC ZINC000179663925 329211107 /nfs/dbraw/zinc/21/11/07/329211107.db2.gz SKTSTADHJDEUOB-CYBMUJFWSA-N 1 1 293.432 3.197 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cn(C)nc1-c1ccccc1 ZINC000181043456 329225244 /nfs/dbraw/zinc/22/52/44/329225244.db2.gz BYMWEJHWSDSVOI-UHFFFAOYSA-N 1 1 255.365 3.095 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)N[C@H](CCC)c1ccccc1 ZINC000181250465 329227340 /nfs/dbraw/zinc/22/73/40/329227340.db2.gz HMQIAVFMALREMC-MRXNPFEDSA-N 1 1 274.408 3.152 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000181285026 329229675 /nfs/dbraw/zinc/22/96/75/329229675.db2.gz GRTYUMUGQSPRGY-ZDUSSCGKSA-N 1 1 283.375 3.070 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000181285026 329229677 /nfs/dbraw/zinc/22/96/77/329229677.db2.gz GRTYUMUGQSPRGY-ZDUSSCGKSA-N 1 1 283.375 3.070 20 30 CGEDMO CN(C)CC[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)C(C)(C)C ZINC000185827960 329329958 /nfs/dbraw/zinc/32/99/58/329329958.db2.gz RUIFYHNQGJGPCX-KKUMJFAQSA-N 1 1 265.445 3.025 20 30 CGEDMO CC(C)[N@@H+](C)Cc1ccccc1CNC[C@@H](C#N)CCC#N ZINC000572469998 330115043 /nfs/dbraw/zinc/11/50/43/330115043.db2.gz LBGHOBZPHBYHIX-MRXNPFEDSA-N 1 1 298.434 3.060 20 30 CGEDMO C=C(CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000423021057 330165678 /nfs/dbraw/zinc/16/56/78/330165678.db2.gz BCPLYUGWTHDHGE-FGTMMUONSA-N 1 1 270.420 3.210 20 30 CGEDMO C=CCC(C)(C)C[NH2+][C@@H](Cc1ccccc1)[C@H](C)N ZINC000423139914 330172388 /nfs/dbraw/zinc/17/23/88/330172388.db2.gz WVXRGTUUPCUNLD-HOCLYGCPSA-N 1 1 260.425 3.137 20 30 CGEDMO N#CCCC[C@H]([NH3+])c1nc(Cc2ccc(Cl)cc2)no1 ZINC000424332302 330342704 /nfs/dbraw/zinc/34/27/04/330342704.db2.gz CAGIOSPQIDAUGT-LBPRGKRZSA-N 1 1 290.754 3.007 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000121040775 330395360 /nfs/dbraw/zinc/39/53/60/330395360.db2.gz BJLGTRKBBIZFHB-JKSUJKDBSA-N 1 1 288.435 3.459 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000121048405 330395393 /nfs/dbraw/zinc/39/53/93/330395393.db2.gz QUEJUAXBXLFEDN-HZPDHXFCSA-N 1 1 288.435 3.193 20 30 CGEDMO C=CC[N@@H+](C)Cc1c(C(=O)OC)sc2cccc(F)c21 ZINC000121234235 330398302 /nfs/dbraw/zinc/39/83/02/330398302.db2.gz UFKCYVBTUGNOOE-UHFFFAOYSA-N 1 1 293.363 3.445 20 30 CGEDMO C=CC[N@H+](C)Cc1c(C(=O)OC)sc2cccc(F)c21 ZINC000121234235 330398303 /nfs/dbraw/zinc/39/83/03/330398303.db2.gz UFKCYVBTUGNOOE-UHFFFAOYSA-N 1 1 293.363 3.445 20 30 CGEDMO C=CCC[C@H]([NH2+]CCCN1CCC(C)CC1)C1CC1 ZINC000439078214 330733513 /nfs/dbraw/zinc/73/35/13/330733513.db2.gz PFCNSECVESDSLC-KRWDZBQOSA-N 1 1 264.457 3.443 20 30 CGEDMO C=CCCCC[C@@H](C)[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC000449343138 330916500 /nfs/dbraw/zinc/91/65/00/330916500.db2.gz ICFIFTBDMABYRB-OAHLLOKOSA-N 1 1 284.407 3.492 20 30 CGEDMO C=CCC[C@H]([NH2+][C@@H]1CC[C@@H]1C1CCC1)C(=O)OCC ZINC000449656078 330942246 /nfs/dbraw/zinc/94/22/46/330942246.db2.gz JCTZYVDPHCCPPD-KFWWJZLASA-N 1 1 265.397 3.053 20 30 CGEDMO COc1ccc([C@H](C)[NH2+]CC2(C#N)CCC2)c(C)c1OC ZINC000451028863 331012550 /nfs/dbraw/zinc/01/25/50/331012550.db2.gz JIIBPNXTLNJIRB-ZDUSSCGKSA-N 1 1 288.391 3.357 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550002 331033760 /nfs/dbraw/zinc/03/37/60/331033760.db2.gz QJBYHHOPDHTAGT-CQSZACIVSA-N 1 1 260.337 3.350 20 30 CGEDMO COC[C@H]1CCC[N@@H+](CCCCC(C)(C)C#N)CC1 ZINC000452102331 331054237 /nfs/dbraw/zinc/05/42/37/331054237.db2.gz KOTRVFJMQUQPFN-HNNXBMFYSA-N 1 1 266.429 3.455 20 30 CGEDMO C=C[C@@H]1CCCCN1C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000455633847 331174470 /nfs/dbraw/zinc/17/44/70/331174470.db2.gz VSHMPYGFSDFMOH-CQSZACIVSA-N 1 1 284.363 3.215 20 30 CGEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000459576204 331288883 /nfs/dbraw/zinc/28/88/83/331288883.db2.gz UVPYJKVKMGOOGJ-NVXWUHKLSA-N 1 1 298.430 3.294 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459663482 331292948 /nfs/dbraw/zinc/29/29/48/331292948.db2.gz OUUFLRBIDAKEKQ-GFCCVEGCSA-N 1 1 277.330 3.244 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)OC ZINC000464821290 331369558 /nfs/dbraw/zinc/36/95/58/331369558.db2.gz HWGRDMHNMDHJCW-LSDHHAIUSA-N 1 1 265.397 3.006 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@](C)(CCC)C1 ZINC000464839236 331370696 /nfs/dbraw/zinc/37/06/96/331370696.db2.gz PGXTYOGEPHJRLT-AEFFLSMTSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(C(=O)OC)c(F)c1 ZINC000489469396 332054458 /nfs/dbraw/zinc/05/44/58/332054458.db2.gz BIDMJTXWUBVQRX-CYBMUJFWSA-N 1 1 277.339 3.153 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000489498076 332056622 /nfs/dbraw/zinc/05/66/22/332056622.db2.gz OFNHKWOYORWZFP-LBPRGKRZSA-N 1 1 264.300 3.274 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000489498076 332056623 /nfs/dbraw/zinc/05/66/23/332056623.db2.gz OFNHKWOYORWZFP-LBPRGKRZSA-N 1 1 264.300 3.274 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000491133957 332155110 /nfs/dbraw/zinc/15/51/10/332155110.db2.gz USAFDMLLZZYZAF-JKSUJKDBSA-N 1 1 286.419 3.150 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)[C@@H]2C[C@H]2c2cccc(F)c2)n1 ZINC000491808338 332361363 /nfs/dbraw/zinc/36/13/63/332361363.db2.gz UVRIGVAHAZRCRK-ZWKOTPCHSA-N 1 1 297.377 3.033 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)[C@H](C)c2ccc(F)cc2)n1 ZINC000491814068 332365624 /nfs/dbraw/zinc/36/56/24/332365624.db2.gz CHIGYYQHWHZFNU-CQSZACIVSA-N 1 1 285.366 3.239 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)[C@H](C)c2ccc(F)cc2)n1 ZINC000491814068 332365626 /nfs/dbraw/zinc/36/56/26/332365626.db2.gz CHIGYYQHWHZFNU-CQSZACIVSA-N 1 1 285.366 3.239 20 30 CGEDMO COc1ccc2ccccc2c1C[NH2+]CC1(C#N)CC1 ZINC000568943577 334847806 /nfs/dbraw/zinc/84/78/06/334847806.db2.gz YQYNBRRAJYAYAV-UHFFFAOYSA-N 1 1 266.344 3.242 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1cc(F)cc(Br)c1 ZINC000312253608 333079087 /nfs/dbraw/zinc/07/90/87/333079087.db2.gz GSPCMLWTGBILIX-LBPRGKRZSA-N 1 1 285.160 3.370 20 30 CGEDMO C=CCCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000517506448 333100717 /nfs/dbraw/zinc/10/07/17/333100717.db2.gz NLPLKZBZPJYVKF-ARFHVFGLSA-N 1 1 251.414 3.358 20 30 CGEDMO CCOC(=O)[C@@H](CC)[N@@H+](CCCC(C)(C)C#N)C1CC1 ZINC000190679885 333209669 /nfs/dbraw/zinc/20/96/69/333209669.db2.gz OHYCEQSDECVIGD-CQSZACIVSA-N 1 1 280.412 3.122 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000193428035 333249885 /nfs/dbraw/zinc/24/98/85/333249885.db2.gz GBZMWZAQPJWOFN-CYBMUJFWSA-N 1 1 293.436 3.292 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000193428035 333249886 /nfs/dbraw/zinc/24/98/86/333249886.db2.gz GBZMWZAQPJWOFN-CYBMUJFWSA-N 1 1 293.436 3.292 20 30 CGEDMO CC(C)Oc1ccccc1[C@H](C)[NH2+]CC1(C#N)CC1 ZINC000538389749 333587926 /nfs/dbraw/zinc/58/79/26/333587926.db2.gz YIHDWECNJXHXMI-ZDUSSCGKSA-N 1 1 258.365 3.428 20 30 CGEDMO C=CCC[C@H]([NH2+]CC1(CN(C)C)CCCC1)C1CC1 ZINC000546224979 334020363 /nfs/dbraw/zinc/02/03/63/334020363.db2.gz XXCBWUYLZBJWQO-INIZCTEOSA-N 1 1 264.457 3.443 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000134005118 334077223 /nfs/dbraw/zinc/07/72/23/334077223.db2.gz BQVJAPHVAVIKLD-ZIAGYGMSSA-N 1 1 282.428 3.188 20 30 CGEDMO C[C@H](C#N)CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000237335200 334086460 /nfs/dbraw/zinc/08/64/60/334086460.db2.gz OMXDCXKFCYCCOP-CYBMUJFWSA-N 1 1 291.826 3.054 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000135136609 334117259 /nfs/dbraw/zinc/11/72/59/334117259.db2.gz AQCIDMPMOMMPBC-DOTOQJQBSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)CN(CC)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000079394112 334153278 /nfs/dbraw/zinc/15/32/78/334153278.db2.gz NZVXUFLHUVRJHK-INIZCTEOSA-N 1 1 295.471 3.106 20 30 CGEDMO COc1ccc2ccccc2c1C[NH2+]C[C@H](C#N)CCC#N ZINC000548788390 334174070 /nfs/dbraw/zinc/17/40/70/334174070.db2.gz TWRHNVOHMUITOJ-AWEZNQCLSA-N 1 1 293.370 3.382 20 30 CGEDMO N#CCC[N@@H+](CCOc1ccccc1Cl)CC1CC1 ZINC000081044592 334177157 /nfs/dbraw/zinc/17/71/57/334177157.db2.gz GDPQZJBLWNABQX-UHFFFAOYSA-N 1 1 278.783 3.344 20 30 CGEDMO N#CCC[N@H+](CCOc1ccccc1Cl)CC1CC1 ZINC000081044592 334177158 /nfs/dbraw/zinc/17/71/58/334177158.db2.gz GDPQZJBLWNABQX-UHFFFAOYSA-N 1 1 278.783 3.344 20 30 CGEDMO FC(F)O[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000549410154 334193084 /nfs/dbraw/zinc/19/30/84/334193084.db2.gz WLCBOWKQYKXGMM-ZDUSSCGKSA-N 1 1 285.721 3.005 20 30 CGEDMO FC(F)O[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000549410154 334193086 /nfs/dbraw/zinc/19/30/86/334193086.db2.gz WLCBOWKQYKXGMM-ZDUSSCGKSA-N 1 1 285.721 3.005 20 30 CGEDMO C=CCOCC[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000549414146 334193360 /nfs/dbraw/zinc/19/33/60/334193360.db2.gz VEPJIULWHGNYSR-QGZVFWFLSA-N 1 1 259.393 3.144 20 30 CGEDMO C=CCC(C)(C)C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000550857465 334230444 /nfs/dbraw/zinc/23/04/44/334230444.db2.gz TYPHFBORXQOQFP-RBSFLKMASA-N 1 1 250.430 3.051 20 30 CGEDMO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NCc1ccc(C#N)s1 ZINC000176954770 335344552 /nfs/dbraw/zinc/34/45/52/335344552.db2.gz UDANGIYTWYZNBU-HZSPNIEDSA-N 1 1 291.464 3.076 20 30 CGEDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NCc1ccc(C#N)s1 ZINC000176954770 335344553 /nfs/dbraw/zinc/34/45/53/335344553.db2.gz UDANGIYTWYZNBU-HZSPNIEDSA-N 1 1 291.464 3.076 20 30 CGEDMO CCOc1cc(C[NH2+]C[C@@H](C)C#N)ccc1OCC(C)C ZINC000183839996 335909472 /nfs/dbraw/zinc/90/94/72/335909472.db2.gz VGGUIJJOUUJXLB-AWEZNQCLSA-N 1 1 290.407 3.369 20 30 CGEDMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000581073932 336004544 /nfs/dbraw/zinc/00/45/44/336004544.db2.gz KCQUSHFSGKPPAC-LLVKDONJSA-N 1 1 273.336 3.087 20 30 CGEDMO C=CCOCC[N@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000581239073 336029202 /nfs/dbraw/zinc/02/92/02/336029202.db2.gz FIHWAQAKAUWBMS-SXSDINLZSA-N 1 1 257.377 3.367 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@H](O)Cc1ccccc1 ZINC000195561384 336056257 /nfs/dbraw/zinc/05/62/57/336056257.db2.gz PWRJCLGZGGYRRI-GOSISDBHSA-N 1 1 299.389 3.417 20 30 CGEDMO CC(C)[N@@H+](Cc1cccs1)Cc1ccc(C#N)cn1 ZINC000581437749 336078128 /nfs/dbraw/zinc/07/81/28/336078128.db2.gz VQVXWMUTYUOFGP-UHFFFAOYSA-N 1 1 271.389 3.425 20 30 CGEDMO Cc1c2ccccc2oc1C[NH2+]C[C@@H](C#N)CCC#N ZINC000581627449 336114511 /nfs/dbraw/zinc/11/45/11/336114511.db2.gz JXYMTXTYJDGVNN-CYBMUJFWSA-N 1 1 267.332 3.274 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000581947120 336174899 /nfs/dbraw/zinc/17/48/99/336174899.db2.gz OEBLRRHDVAVKDU-AWEZNQCLSA-N 1 1 285.347 3.088 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](O)COc1cccc2ccccc21 ZINC000342738938 500574685 /nfs/dbraw/zinc/57/46/85/500574685.db2.gz NIDWMUALSKTNHQ-MRXNPFEDSA-N 1 1 285.387 3.087 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCn1cc(Cl)cn1 ZINC000425530039 534082164 /nfs/dbraw/zinc/08/21/64/534082164.db2.gz DEDIVIPXLSNINW-LBPRGKRZSA-N 1 1 288.782 3.101 20 30 CGEDMO Cc1c[nH]c(-c2ccccc2NC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC000330210592 534520992 /nfs/dbraw/zinc/52/09/92/534520992.db2.gz CLPLYQDGIXWHJC-CQSZACIVSA-N 1 1 284.363 3.067 20 30 CGEDMO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000366098582 534844850 /nfs/dbraw/zinc/84/48/50/534844850.db2.gz VSWDSXCOGSGRAM-KRWDZBQOSA-N 1 1 298.365 3.076 20 30 CGEDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000366098582 534844855 /nfs/dbraw/zinc/84/48/55/534844855.db2.gz VSWDSXCOGSGRAM-KRWDZBQOSA-N 1 1 298.365 3.076 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)Cc1cncc(F)c1 ZINC000344664524 526358329 /nfs/dbraw/zinc/35/83/29/526358329.db2.gz LJKOFICKSUTSQX-UHFFFAOYSA-N 1 1 256.324 3.409 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cncc(F)c1 ZINC000344664524 526358336 /nfs/dbraw/zinc/35/83/36/526358336.db2.gz LJKOFICKSUTSQX-UHFFFAOYSA-N 1 1 256.324 3.409 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@@H](SCC)C1 ZINC000350898410 526519846 /nfs/dbraw/zinc/51/98/46/526519846.db2.gz VXBJTIBVFPBBGY-OAHLLOKOSA-N 1 1 298.496 3.019 20 30 CGEDMO C=C(C)C[N@@H+](CC[C@@H]1CCCCO1)Cc1ccc(CO)o1 ZINC000352797983 526553063 /nfs/dbraw/zinc/55/30/63/526553063.db2.gz WURUBKTXSAAXIG-HNNXBMFYSA-N 1 1 293.407 3.109 20 30 CGEDMO C=C(C)COCC[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000343832518 526657423 /nfs/dbraw/zinc/65/74/23/526657423.db2.gz FIPZDZVTTIIDEU-SECBINFHSA-N 1 1 294.342 3.405 20 30 CGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@]3(CC=CCC3)C2)cc1 ZINC000156398738 526690029 /nfs/dbraw/zinc/69/00/29/526690029.db2.gz NMHRIPBXYLIROD-MOPGFXCFSA-N 1 1 296.414 3.414 20 30 CGEDMO C=CCCCN1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000344587155 527196493 /nfs/dbraw/zinc/19/64/93/527196493.db2.gz RZYQJXQCQARQIN-XHSDSOJGSA-N 1 1 250.430 3.290 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCSC2(CCC2)CC1 ZINC000334732433 527468940 /nfs/dbraw/zinc/46/89/40/527468940.db2.gz CVYNNJJADYECEI-UHFFFAOYSA-N 1 1 252.427 3.288 20 30 CGEDMO CCC[C@@]1(COC)CCC[N@H+]1CCC(C)(C)C#N ZINC000347114849 527957836 /nfs/dbraw/zinc/95/78/36/527957836.db2.gz AXBRVEVAKSCDCO-HNNXBMFYSA-N 1 1 252.402 3.207 20 30 CGEDMO CCOCCC[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000159316856 528657774 /nfs/dbraw/zinc/65/77/74/528657774.db2.gz GXMAYLNNAPWSAW-CQSZACIVSA-N 1 1 260.381 3.368 20 30 CGEDMO CC[N@@H+](Cc1ccc(C)nn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000414372556 528777850 /nfs/dbraw/zinc/77/78/50/528777850.db2.gz PRIRBPQLJHOZGB-AWEZNQCLSA-N 1 1 280.375 3.240 20 30 CGEDMO C#CC[N@@H+](Cc1cn2ccsc2n1)C1CCCCC1 ZINC000726970207 571694329 /nfs/dbraw/zinc/69/43/29/571694329.db2.gz JCFSJIURJVHGGE-UHFFFAOYSA-N 1 1 273.405 3.164 20 30 CGEDMO CCCCCCC[N@H+](C)Cc1nnc2ccccn21 ZINC000750822966 572328672 /nfs/dbraw/zinc/32/86/72/572328672.db2.gz YBQLEJKKBJXGCL-UHFFFAOYSA-N 1 1 260.385 3.132 20 30 CGEDMO CCCCCCC[N@@H+](C)Cc1nnc2ccccn21 ZINC000750822966 572328676 /nfs/dbraw/zinc/32/86/76/572328676.db2.gz YBQLEJKKBJXGCL-UHFFFAOYSA-N 1 1 260.385 3.132 20 30 CGEDMO C=C1CC[NH+](CC(=O)N[C@H](C)CCCCCC)CC1 ZINC000731032419 572392201 /nfs/dbraw/zinc/39/22/01/572392201.db2.gz JNVMZOLKZGPFBX-OAHLLOKOSA-N 1 1 266.429 3.114 20 30 CGEDMO CCCCCCCCCNC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000731116194 572395932 /nfs/dbraw/zinc/39/59/32/572395932.db2.gz LGRAPJSXQCJLBN-MRXNPFEDSA-N 1 1 297.487 3.378 20 30 CGEDMO C=CCC[N@H+](CCC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000739913702 572427014 /nfs/dbraw/zinc/42/70/14/572427014.db2.gz FENYWDGNOKMSJN-AWEZNQCLSA-N 1 1 282.428 3.284 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)CCC(=O)Nc1ccccc1F ZINC000725843065 572436268 /nfs/dbraw/zinc/43/62/68/572436268.db2.gz ZNFMZRSIRBSYDB-UHFFFAOYSA-N 1 1 291.370 3.026 20 30 CGEDMO C=CCCO[NH+]=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000740872054 572463952 /nfs/dbraw/zinc/46/39/52/572463952.db2.gz DTXKGUFRZWCBFU-UHFFFAOYSA-N 1 1 289.335 3.122 20 30 CGEDMO C[C@H]1CC(N=Nc2nccc3sccc32)CC[N@H+]1C ZINC000741461738 572499701 /nfs/dbraw/zinc/49/97/01/572499701.db2.gz PXKFKNLWBUQEJJ-JTQLQIEISA-N 1 1 274.393 3.178 20 30 CGEDMO C=C(Br)C[N@@H+](C)[C@H]1CCc2ccccc2C1 ZINC000734057877 572627176 /nfs/dbraw/zinc/62/71/76/572627176.db2.gz CLPVOAJWLJDTRR-AWEZNQCLSA-N 1 1 280.209 3.384 20 30 CGEDMO C=C(Br)C[N@H+](C)[C@H]1CCc2ccccc2C1 ZINC000734057877 572627180 /nfs/dbraw/zinc/62/71/80/572627180.db2.gz CLPVOAJWLJDTRR-AWEZNQCLSA-N 1 1 280.209 3.384 20 30 CGEDMO C[C@@H](C1CC1)[N@@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000735309900 572714078 /nfs/dbraw/zinc/71/40/78/572714078.db2.gz MZNWBZXWNOOUBV-NSHDSACASA-N 1 1 278.783 3.473 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000735491410 572726537 /nfs/dbraw/zinc/72/65/37/572726537.db2.gz KPYPZUKPXWRKFJ-UHFFFAOYSA-N 1 1 274.408 3.174 20 30 CGEDMO CN1c2ccccc2C(C)(C)/C1=C/C(=O)C[N@@H+](C)C1CCC1 ZINC000744409610 572750549 /nfs/dbraw/zinc/75/05/49/572750549.db2.gz ADQMDFPFWCAAPT-PDGQHHTCSA-N 1 1 298.430 3.351 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC1(Cl)Cl ZINC000744738793 572770137 /nfs/dbraw/zinc/77/01/37/572770137.db2.gz LXIBTHDUZNPAIC-LBPRGKRZSA-N 1 1 286.177 3.455 20 30 CGEDMO C#CC[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC1(Cl)Cl ZINC000744738793 572770142 /nfs/dbraw/zinc/77/01/42/572770142.db2.gz LXIBTHDUZNPAIC-LBPRGKRZSA-N 1 1 286.177 3.455 20 30 CGEDMO C=C(Cl)CNC(=O)c1ccc(C[N@H+](CC)CCC)cc1 ZINC000736246787 572776774 /nfs/dbraw/zinc/77/67/74/572776774.db2.gz LYGKVIPZCWLKCZ-UHFFFAOYSA-N 1 1 294.826 3.401 20 30 CGEDMO CC#CCOC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000744920062 572783092 /nfs/dbraw/zinc/78/30/92/572783092.db2.gz AVYYTXNQUVLHLF-UHFFFAOYSA-N 1 1 273.376 3.097 20 30 CGEDMO C#CC[N@@H+](CC)[C@H](C)C(=O)Nc1cccc2ccccc21 ZINC000746456822 572871998 /nfs/dbraw/zinc/87/19/98/572871998.db2.gz LXFHDPJOELOTMT-CQSZACIVSA-N 1 1 280.371 3.122 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)C(=O)Nc1cccc2ccccc21 ZINC000746456822 572872001 /nfs/dbraw/zinc/87/20/01/572872001.db2.gz LXFHDPJOELOTMT-CQSZACIVSA-N 1 1 280.371 3.122 20 30 CGEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)CN=Nc1cnccn1 ZINC000747629400 572937672 /nfs/dbraw/zinc/93/76/72/572937672.db2.gz HHRFUSAOGHYHHN-UHFFFAOYSA-N 1 1 297.406 3.033 20 30 CGEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)C1CCCCCCC1 ZINC000748806398 572984744 /nfs/dbraw/zinc/98/47/44/572984744.db2.gz YPYZQFGDXQQAGK-QGZVFWFLSA-N 1 1 293.455 3.086 20 30 CGEDMO C#Cc1cccc(NC(=O)NCC[N@H+](C)C2CCCCC2)c1 ZINC000749196304 572990475 /nfs/dbraw/zinc/99/04/75/572990475.db2.gz MJZCVTWUHRRDNX-UHFFFAOYSA-N 1 1 299.418 3.054 20 30 CGEDMO C#CC[N@@H+](CN1C(=O)[C@H]2CCCCC[C@H]21)C1CCCCC1 ZINC000749946483 573065516 /nfs/dbraw/zinc/06/55/16/573065516.db2.gz OWQQRJRBSOIEGJ-DLBZAZTESA-N 1 1 288.435 3.003 20 30 CGEDMO C#CC[N@H+](CN1C(=O)[C@H]2CCCCC[C@H]21)C1CCCCC1 ZINC000749946483 573065518 /nfs/dbraw/zinc/06/55/18/573065518.db2.gz OWQQRJRBSOIEGJ-DLBZAZTESA-N 1 1 288.435 3.003 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@H](C)C(C)C)C2)C1 ZINC000982048870 613250569 /nfs/dbraw/zinc/25/05/69/613250569.db2.gz YFRZEOFXOJYXIB-MRXNPFEDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)C(C)=C2CCCC2)CC1 ZINC000980947456 613251122 /nfs/dbraw/zinc/25/11/22/613251122.db2.gz YNMRMXYBEGVQFY-UHFFFAOYSA-N 1 1 290.451 3.377 20 30 CGEDMO C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccoc1 ZINC000968753148 613251365 /nfs/dbraw/zinc/25/13/65/613251365.db2.gz CTDBPQRMTYDNOW-INIZCTEOSA-N 1 1 290.407 3.220 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)CC(C)(C)C2CC2)CC1 ZINC000981109760 613251926 /nfs/dbraw/zinc/25/19/26/613251926.db2.gz OFUBGVJSKVDHMQ-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)C2(C)CCC2)CC1 ZINC000948675894 613256435 /nfs/dbraw/zinc/25/64/35/613256435.db2.gz PQYMYNUBSNLSQY-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C2CC2)C[C@@H]1C ZINC000947632636 613265189 /nfs/dbraw/zinc/26/51/89/613265189.db2.gz DFRAKZHPKOJSFZ-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccsc2)C[C@@H]1C ZINC000947027382 613267379 /nfs/dbraw/zinc/26/73/79/613267379.db2.gz RRIFCYKVXBQORT-DZGCQCFKSA-N 1 1 292.448 3.297 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)CC2CCCC2)[C@H](C)C1 ZINC000941766809 613271303 /nfs/dbraw/zinc/27/13/03/613271303.db2.gz AFMUFPLOGLXJQA-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(C3CC3)cc2)C1 ZINC000980459392 613286612 /nfs/dbraw/zinc/28/66/12/613286612.db2.gz WXDSDMOUWRXFOM-GOSISDBHSA-N 1 1 298.430 3.286 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC000969054546 613306416 /nfs/dbraw/zinc/30/64/16/613306416.db2.gz UKRBHZHXRMDTNN-CVEARBPZSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)/C(C)=C/C)C1 ZINC000963281001 613314535 /nfs/dbraw/zinc/31/45/35/613314535.db2.gz GKMXLJVUXQMKTL-KTHYOXIYSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)F)C1 ZINC000963239660 613314716 /nfs/dbraw/zinc/31/47/16/613314716.db2.gz YUPHFRBBGMTTNS-LSDHHAIUSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)C[C@@H](C)C2CCCCC2)CC1 ZINC000951722184 613316550 /nfs/dbraw/zinc/31/65/50/613316550.db2.gz OFYHEBDBBYMQAA-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C2(C)CCCCC2)C1 ZINC000968188889 613323609 /nfs/dbraw/zinc/32/36/09/613323609.db2.gz DVOPCJXDNRFXNC-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)C2CCC2)C(C)(C)C1 ZINC000940837349 613328455 /nfs/dbraw/zinc/32/84/55/613328455.db2.gz SJVLWVKREMDKPU-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)cs2)C[C@H]1C ZINC000947272021 613329064 /nfs/dbraw/zinc/32/90/64/613329064.db2.gz REDAHQDYKYMSIP-ZIAGYGMSSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2sccc2F)C[C@@H]1C ZINC000947252531 613332089 /nfs/dbraw/zinc/33/20/89/613332089.db2.gz DCWRUULVUOPAQN-NWDGAFQWSA-N 1 1 296.411 3.046 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc(C)c2)C1 ZINC000964841310 613333176 /nfs/dbraw/zinc/33/31/76/613333176.db2.gz YWSHTSBBPFYXPD-RDJZCZTQSA-N 1 1 286.419 3.011 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2CCC=CCC2)C1 ZINC000968659461 613333527 /nfs/dbraw/zinc/33/35/27/613333527.db2.gz GDBGMLDKBPBWOU-DOTOQJQBSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)C[C@H]2CC=CCC2)C(C)(C)C1 ZINC000974914093 613341382 /nfs/dbraw/zinc/34/13/82/613341382.db2.gz FWOAUXFHYQZTQQ-HOTGVXAUSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1C(C)C ZINC000960187921 613345796 /nfs/dbraw/zinc/34/57/96/613345796.db2.gz XOHHVJATKFDVRW-PIIMJCKOSA-N 1 1 298.430 3.046 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)=C2CCC2)C[C@@H]1C ZINC000947301223 613378126 /nfs/dbraw/zinc/37/81/26/613378126.db2.gz PPTHWBYCFHXOQX-WFASDCNBSA-N 1 1 296.842 3.208 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)=C2CCC2)C[C@@H]1C ZINC000947301223 613378127 /nfs/dbraw/zinc/37/81/27/613378127.db2.gz PPTHWBYCFHXOQX-WFASDCNBSA-N 1 1 296.842 3.208 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CCC(C)C)C[C@H]2C)C1 ZINC000942608151 613401233 /nfs/dbraw/zinc/40/12/33/613401233.db2.gz PZZCVOFTLBDJDS-CVEARBPZSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C1CCC(C(=O)N(C)[C@@H]2CCC[N@H+](CCC)CC2)CC1 ZINC000948732719 613403637 /nfs/dbraw/zinc/40/36/37/613403637.db2.gz DMKFMLHCYPSILF-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[C@@H]2C[N@H+](C)C(C)C)CC1 ZINC000960830605 613404792 /nfs/dbraw/zinc/40/47/92/613404792.db2.gz IUSGZJRBKJAMOZ-MRXNPFEDSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC000972082439 613438661 /nfs/dbraw/zinc/43/86/61/613438661.db2.gz NNMKMGOBLFDWIY-INIZCTEOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@]2(CC)C(C)C)CC1 ZINC000983391808 613494662 /nfs/dbraw/zinc/49/46/62/613494662.db2.gz YERLNCBERLEDME-WMZOPIPTSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000963403064 613501349 /nfs/dbraw/zinc/50/13/49/613501349.db2.gz IPPOMVGSFVBDNX-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[N@@H+](CC2CC(C)C2)CC1 ZINC000981887345 613501747 /nfs/dbraw/zinc/50/17/47/613501747.db2.gz BARITYMQMKFYIF-LEOMRAHMSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2csc(C)c2)C1 ZINC000968423085 613518738 /nfs/dbraw/zinc/51/87/38/613518738.db2.gz MWXDNMJHZALHIA-IUODEOHRSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)C2C(C)(C)C2(C)C)[C@@H](C)C1 ZINC000941935591 613519358 /nfs/dbraw/zinc/51/93/58/613519358.db2.gz LAPROPVUQSMTKU-UONOGXRCSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)c2cscc2C)[C@H](C)C1 ZINC000941905026 613527103 /nfs/dbraw/zinc/52/71/03/613527103.db2.gz VYWMBLGMEHKPFR-IUODEOHRSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C=C2CCCCC2)C1 ZINC000965446773 613528853 /nfs/dbraw/zinc/52/88/53/613528853.db2.gz FZZRJOZIDAGKFR-RDJZCZTQSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(C)s2)C1 ZINC000964709095 613530254 /nfs/dbraw/zinc/53/02/54/613530254.db2.gz HCXKBBNNZFLXDA-JSGCOSHPSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)c2ccc(C=C)cc2)[C@H](C)C1 ZINC000942897274 613538550 /nfs/dbraw/zinc/53/85/50/613538550.db2.gz VZDOQESYJVWKSM-QAPCUYQASA-N 1 1 298.430 3.346 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)c2cccs2)C(C)(C)C1 ZINC000940550230 613538891 /nfs/dbraw/zinc/53/88/91/613538891.db2.gz JANYSIRMWIYXGC-AWEZNQCLSA-N 1 1 292.448 3.155 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2csc(C)c2)C(C)(C)C1 ZINC000977324449 613546912 /nfs/dbraw/zinc/54/69/12/613546912.db2.gz YLFVEWBQFNSFOX-CQSZACIVSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@H+]1C[C@H](NC(=O)[C@@]2(C)CC=CCC2)C(C)(C)C1 ZINC000974621105 613554767 /nfs/dbraw/zinc/55/47/67/613554767.db2.gz LNQXTGAKBGXDME-YJBOKZPZSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@]2(C)CCC(C)=C(C)C2)C1 ZINC000980514009 613615895 /nfs/dbraw/zinc/61/58/95/613615895.db2.gz CDWRTTLAFPPJAC-AEFFLSMTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(CCC)s2)C1 ZINC000971613558 613636581 /nfs/dbraw/zinc/63/65/81/613636581.db2.gz OJCJGCJABDNOFT-ZDUSSCGKSA-N 1 1 292.448 3.033 20 30 CGEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)C(CC)(CC)CC)C2)C1 ZINC000982088159 613677491 /nfs/dbraw/zinc/67/74/91/613677491.db2.gz ICZLDYICHGUZDM-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC000968991509 613684278 /nfs/dbraw/zinc/68/42/78/613684278.db2.gz ZOKXBOQJJGJQRW-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC(C)C)CC2)C1 ZINC000961311752 613700499 /nfs/dbraw/zinc/70/04/99/613700499.db2.gz FELHKPGNDNFYBX-QGZVFWFLSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC2(C)C)CC1 ZINC000948692425 613704579 /nfs/dbraw/zinc/70/45/79/613704579.db2.gz CIMVGJRVBZTIIO-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)c2cscc2C)CC1 ZINC000948278271 613705713 /nfs/dbraw/zinc/70/57/13/613705713.db2.gz QIPDPRTVOPMCFO-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC2(C)CC2)C1 ZINC000963335992 613706271 /nfs/dbraw/zinc/70/62/71/613706271.db2.gz BBGCGMQRFRHJMI-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc(C3CC3)c2)C1 ZINC000968688701 613730377 /nfs/dbraw/zinc/73/03/77/613730377.db2.gz NKDZZPYCRRTCLI-KDOFPFPSSA-N 1 1 298.430 3.190 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C3CC3)cc2)C[C@@H]1C ZINC000948061245 613752705 /nfs/dbraw/zinc/75/27/05/613752705.db2.gz QPRXZIOPFJVFQJ-KBXCAEBGSA-N 1 1 298.430 3.333 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2csc(Cl)c2)C[C@H]1C ZINC000947776822 613760324 /nfs/dbraw/zinc/76/03/24/613760324.db2.gz YNEAVMGSYFYAGK-ZYHUDNBSSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C2(C)CCCCCC2)C1 ZINC000966752979 613767070 /nfs/dbraw/zinc/76/70/70/613767070.db2.gz NPVMHXKCXMSALW-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000968609963 613768620 /nfs/dbraw/zinc/76/86/20/613768620.db2.gz MOMAWGQLJVOXCX-ZFWWWQNUSA-N 1 1 298.386 3.059 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC)cc2)C[C@H]1C ZINC000947994642 613790360 /nfs/dbraw/zinc/79/03/60/613790360.db2.gz QEOLMRSRRISMAK-PBHICJAKSA-N 1 1 286.419 3.018 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C2CC(C(C)(C)C)C2)C(C)(C)C1 ZINC000977650436 613806173 /nfs/dbraw/zinc/80/61/73/613806173.db2.gz DVBKLALXYUBBAR-YMAMQOFZSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC(C)(C)C2)C(C)(C)C1 ZINC000977650123 613807883 /nfs/dbraw/zinc/80/78/83/613807883.db2.gz MHBDKXMWIFHCLD-HUUCEWRRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(Cc2ccc(OC)cc2)no1 ZINC000899999071 620743890 /nfs/dbraw/zinc/74/38/90/620743890.db2.gz JBFMNWLVDJYWIF-CQSZACIVSA-N 1 1 287.363 3.025 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000306054630 617782995 /nfs/dbraw/zinc/78/29/95/617782995.db2.gz UKFGUWYWXZXWIJ-NEPJUHHUSA-N 1 1 266.772 3.261 20 30 CGEDMO C=C(C)c1cccc(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)c1 ZINC000890890296 617892274 /nfs/dbraw/zinc/89/22/74/617892274.db2.gz OWPLPZXXQXXCKH-OAHLLOKOSA-N 1 1 295.386 3.426 20 30 CGEDMO C=CC[N@H+](C/C=C\Cl)Cc1ccc(OC)cc1 ZINC000255154557 618000244 /nfs/dbraw/zinc/00/02/44/618000244.db2.gz PSXNUMOGLCLKDN-WTKPLQERSA-N 1 1 251.757 3.436 20 30 CGEDMO C=CC[N@@H+](C/C=C\Cl)Cc1ccc(OC)cc1 ZINC000255154557 618000247 /nfs/dbraw/zinc/00/02/47/618000247.db2.gz PSXNUMOGLCLKDN-WTKPLQERSA-N 1 1 251.757 3.436 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC(C)(C)C)C1 ZINC001021522732 618022283 /nfs/dbraw/zinc/02/22/83/618022283.db2.gz ITOHENAGKSHCGI-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCOC[C@@H]1CC1CC1 ZINC000933210777 618168276 /nfs/dbraw/zinc/16/82/76/618168276.db2.gz VVPHSHPSKLRZJY-KRWDZBQOSA-N 1 1 298.430 3.489 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1C[C@@]1(C)Br ZINC000891605006 618241535 /nfs/dbraw/zinc/24/15/35/618241535.db2.gz VXDBRLBHKMQQQW-UONOGXRCSA-N 1 1 293.208 3.164 20 30 CGEDMO C[C@H](O)C[N@@H+](Cc1csc(C#N)c1)Cc1ccccc1 ZINC000891721888 618260691 /nfs/dbraw/zinc/26/06/91/618260691.db2.gz IVUZBLJYGZWZBH-ZDUSSCGKSA-N 1 1 286.400 3.003 20 30 CGEDMO CC(C)Cc1ccc(C[NH+]2CCC(C#N)CC2)cn1 ZINC000891851938 618342193 /nfs/dbraw/zinc/34/21/93/618342193.db2.gz DYASXWCIOSHPII-UHFFFAOYSA-N 1 1 257.381 3.016 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cn(C)nc1C1CC1 ZINC000892069585 618517013 /nfs/dbraw/zinc/51/70/13/618517013.db2.gz NNUMQULVMLYLBZ-UHFFFAOYSA-N 1 1 261.413 3.476 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1CC[C@H]1Sc2ccccc2NC1=O ZINC000934460584 618623284 /nfs/dbraw/zinc/62/32/84/618623284.db2.gz QTGSZXPGIYGCDA-IUODEOHRSA-N 1 1 288.416 3.140 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1ccc(-c2ccccn2)nc1 ZINC000934461580 618624898 /nfs/dbraw/zinc/62/48/98/618624898.db2.gz YUGTXRQRYPDMIL-OAHLLOKOSA-N 1 1 265.360 3.294 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1C[C@@H](O)c1ccc(Cl)cc1 ZINC000934466239 618625278 /nfs/dbraw/zinc/62/52/78/618625278.db2.gz ZBOWTNHFLWZCGM-UONOGXRCSA-N 1 1 251.757 3.024 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1CC(=O)c1c[nH]c2ccccc12 ZINC000934465921 618625534 /nfs/dbraw/zinc/62/55/34/618625534.db2.gz HLWFJQGBAJWIPB-LBPRGKRZSA-N 1 1 254.333 3.001 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1CC(=O)c1c[nH]c2ccccc12 ZINC000934465921 618625537 /nfs/dbraw/zinc/62/55/37/618625537.db2.gz HLWFJQGBAJWIPB-LBPRGKRZSA-N 1 1 254.333 3.001 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1cc(C)ccc1C ZINC000934472488 618628243 /nfs/dbraw/zinc/62/82/43/618628243.db2.gz RNJQKKFAVFNZRJ-HUUCEWRRSA-N 1 1 272.392 3.281 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1cccc(SC)c1 ZINC000934472636 618628659 /nfs/dbraw/zinc/62/86/59/618628659.db2.gz OTZOOUUJVBMEFN-GXTWGEPZSA-N 1 1 290.432 3.386 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1cccc(SC)c1 ZINC000934472636 618628663 /nfs/dbraw/zinc/62/86/63/618628663.db2.gz OTZOOUUJVBMEFN-GXTWGEPZSA-N 1 1 290.432 3.386 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1c(C)nn(C)c1Cl ZINC000934648780 618665095 /nfs/dbraw/zinc/66/50/95/618665095.db2.gz DTDAKTUHXLXYGV-UHFFFAOYSA-N 1 1 255.793 3.170 20 30 CGEDMO C#CC[N@@H+](CC(=O)c1c[nH]c2ccccc12)C1CCCC1 ZINC000155914218 618706852 /nfs/dbraw/zinc/70/68/52/618706852.db2.gz UNZCFHIRQLBMMS-UHFFFAOYSA-N 1 1 280.371 3.228 20 30 CGEDMO C#CC[N@H+](CC(=O)c1c[nH]c2ccccc12)C1CCCC1 ZINC000155914218 618706855 /nfs/dbraw/zinc/70/68/55/618706855.db2.gz UNZCFHIRQLBMMS-UHFFFAOYSA-N 1 1 280.371 3.228 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000158002987 618728910 /nfs/dbraw/zinc/72/89/10/618728910.db2.gz ACNQUKKQRHVYAB-ZNMIVQPWSA-N 1 1 272.392 3.455 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000247565692 618730287 /nfs/dbraw/zinc/73/02/87/618730287.db2.gz RZSKVBPMNBZKEO-MXSMSXNCSA-N 1 1 289.419 3.164 20 30 CGEDMO C#CC[N@@H+](Cc1cc(F)ccc1C#N)C1CCCC1 ZINC000162020888 618735215 /nfs/dbraw/zinc/73/52/15/618735215.db2.gz XPEDHXITDJWQEE-UHFFFAOYSA-N 1 1 256.324 3.075 20 30 CGEDMO C#CC[N@H+](Cc1cc(F)ccc1C#N)C1CCCC1 ZINC000162020888 618735218 /nfs/dbraw/zinc/73/52/18/618735218.db2.gz XPEDHXITDJWQEE-UHFFFAOYSA-N 1 1 256.324 3.075 20 30 CGEDMO CCCCCCCC(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000177054090 618781659 /nfs/dbraw/zinc/78/16/59/618781659.db2.gz NVYUSLYKMBHSRU-KGLIPLIRSA-N 1 1 266.429 3.088 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)ccc1F ZINC000311936599 618954040 /nfs/dbraw/zinc/95/40/40/618954040.db2.gz JOYKXFYQWZXATN-NSHDSACASA-N 1 1 272.245 3.082 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@H](C(F)(F)F)C2)ccc1F ZINC000311936599 618954042 /nfs/dbraw/zinc/95/40/42/618954042.db2.gz JOYKXFYQWZXATN-NSHDSACASA-N 1 1 272.245 3.082 20 30 CGEDMO COCCCCCO[NH+]=C(N)C12CC3CC(CC(C3)C1)C2 ZINC000174102260 618956519 /nfs/dbraw/zinc/95/65/19/618956519.db2.gz FQOGYMYDJPHSPV-UHFFFAOYSA-N 1 1 294.439 3.308 20 30 CGEDMO Cn1ncc(C[NH2+][C@@H](CCC#N)c2ccccc2)c1C1CC1 ZINC000893194733 619024777 /nfs/dbraw/zinc/02/47/77/619024777.db2.gz KMLGLUDVCFCRFE-KRWDZBQOSA-N 1 1 294.402 3.432 20 30 CGEDMO N#CC[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000930652557 619046504 /nfs/dbraw/zinc/04/65/04/619046504.db2.gz LFOKTAICMLNEGG-HUUCEWRRSA-N 1 1 278.783 3.142 20 30 CGEDMO N#CC[C@@H](O)C[N@H+]1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000930652557 619046506 /nfs/dbraw/zinc/04/65/06/619046506.db2.gz LFOKTAICMLNEGG-HUUCEWRRSA-N 1 1 278.783 3.142 20 30 CGEDMO N#CC1CCC(C[N@H+]2CC[C@@H](c3cccnc3)C2)CC1 ZINC000930813666 619078318 /nfs/dbraw/zinc/07/83/18/619078318.db2.gz CPONVXVNTFBOLK-VMBOVVBDSA-N 1 1 269.392 3.201 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](NC(=O)c2cc3cccc(C)c3o2)C1 ZINC001009652681 619183597 /nfs/dbraw/zinc/18/35/97/619183597.db2.gz WQRYZZDCPWGXFH-HNNXBMFYSA-N 1 1 298.386 3.121 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cc3cccc(C)c3o2)C1 ZINC001009652681 619183598 /nfs/dbraw/zinc/18/35/98/619183598.db2.gz WQRYZZDCPWGXFH-HNNXBMFYSA-N 1 1 298.386 3.121 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CCOC3(CCCC3)C2)cc1 ZINC000093589122 619204869 /nfs/dbraw/zinc/20/48/69/619204869.db2.gz MFUVWNLSCSOVAS-UHFFFAOYSA-N 1 1 299.414 3.234 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCOCC3(CCCC3)C2)cs1 ZINC000893685525 619278995 /nfs/dbraw/zinc/27/89/95/619278995.db2.gz XKJRYDZOYOWKQF-UHFFFAOYSA-N 1 1 276.405 3.012 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000932205302 619309808 /nfs/dbraw/zinc/30/98/08/619309808.db2.gz WCTRXUTZQQHCJE-STQMWFEESA-N 1 1 263.410 3.090 20 30 CGEDMO CCC[N@@H+](Cc1[nH]nc(C)c1C)Cc1ccc(C#N)cc1 ZINC000893952932 619340185 /nfs/dbraw/zinc/34/01/85/619340185.db2.gz WZJMNGFFXWYTNT-UHFFFAOYSA-N 1 1 282.391 3.310 20 30 CGEDMO CC[C@H](CC#N)[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878698707 619445567 /nfs/dbraw/zinc/44/55/67/619445567.db2.gz HPRKLTYEMPVXAF-MFKMUULPSA-N 1 1 287.190 3.309 20 30 CGEDMO CC1(C)C[N@H+](Cc2csc(C#N)c2)[C@H]1[C@H]1CCCO1 ZINC000894535987 619568016 /nfs/dbraw/zinc/56/80/16/619568016.db2.gz PERPEMUESVHFLM-KGLIPLIRSA-N 1 1 276.405 3.009 20 30 CGEDMO CC1(C)C[N@@H+](Cc2csc(C#N)c2)[C@H]1[C@H]1CCCO1 ZINC000894535987 619568019 /nfs/dbraw/zinc/56/80/19/619568019.db2.gz PERPEMUESVHFLM-KGLIPLIRSA-N 1 1 276.405 3.009 20 30 CGEDMO CC[C@@H](C)CON=C1CC[NH+](Cc2ccccn2)CC1 ZINC000793147169 619691578 /nfs/dbraw/zinc/69/15/78/619691578.db2.gz ZXDZZJTVGADCQH-CQSZACIVSA-N 1 1 275.396 3.096 20 30 CGEDMO C=CCOc1cccc(NC(=O)[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000895856364 619897948 /nfs/dbraw/zinc/89/79/48/619897948.db2.gz XZVHLYBRUMYVAB-OAHLLOKOSA-N 1 1 288.391 3.063 20 30 CGEDMO C=CCOc1cccc(NC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000895856364 619897949 /nfs/dbraw/zinc/89/79/49/619897949.db2.gz XZVHLYBRUMYVAB-OAHLLOKOSA-N 1 1 288.391 3.063 20 30 CGEDMO Cc1cc(C[N@@H+]2CCC[C@@H](C#N)C2)cc2cccnc12 ZINC000896506314 620018900 /nfs/dbraw/zinc/01/89/00/620018900.db2.gz RSNYWPQYOXVZOX-AWEZNQCLSA-N 1 1 265.360 3.279 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@@H](C#N)C2)cc2cccnc12 ZINC000896506314 620018903 /nfs/dbraw/zinc/01/89/03/620018903.db2.gz RSNYWPQYOXVZOX-AWEZNQCLSA-N 1 1 265.360 3.279 20 30 CGEDMO CC(C)(/C=C\Cl)[NH2+]Cc1cc(C#N)cnc1Cl ZINC000896747420 620055468 /nfs/dbraw/zinc/05/54/68/620055468.db2.gz LODNQQXTJWYULA-ARJAWSKDSA-N 1 1 270.163 3.227 20 30 CGEDMO C=C1CC(c2noc([C@@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)n2)C1 ZINC000896883400 620084892 /nfs/dbraw/zinc/08/48/92/620084892.db2.gz HGMHGKFXHCRTPJ-GRYCIOLGSA-N 1 1 261.369 3.437 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)C(F)=C2CCCC2)CC1 ZINC000985375490 620177934 /nfs/dbraw/zinc/17/79/34/620177934.db2.gz HHNZMONKJFKRAL-UHFFFAOYSA-N 1 1 294.414 3.283 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)C2=CCCCCC2)CC1 ZINC000985391722 620179449 /nfs/dbraw/zinc/17/94/49/620179449.db2.gz UEVJMQZNGMCPNC-UHFFFAOYSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC([N@@H+](C)CC2CCC2)CC1 ZINC000985570665 620213396 /nfs/dbraw/zinc/21/33/96/620213396.db2.gz IDHFARNRGKIXKT-UHFFFAOYSA-N 1 1 292.467 3.312 20 30 CGEDMO CN(C)c1ccc(C[NH2+]CC2(C#N)CC2)c(C(F)(F)F)c1 ZINC000797604784 620220208 /nfs/dbraw/zinc/22/02/08/620220208.db2.gz CKGYDOKNKJGROW-UHFFFAOYSA-N 1 1 297.324 3.165 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)c2ccc(C)c(C)c2)CC1 ZINC000985778246 620238407 /nfs/dbraw/zinc/23/84/07/620238407.db2.gz YQUHKSFOSLZBAH-UHFFFAOYSA-N 1 1 286.419 3.026 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)C[C@@H]2CCCC[C@@H]2C)CC1 ZINC000985810611 620241416 /nfs/dbraw/zinc/24/14/16/620241416.db2.gz GZUBXBRHFRAHFK-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)C[C@H]2CCCC[C@H]2C)CC1 ZINC000985810612 620241471 /nfs/dbraw/zinc/24/14/71/620241471.db2.gz GZUBXBRHFRAHFK-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO CCc1cccc(C)c1N=NC1CC[N@H+]2CCC[C@@H]12 ZINC000799494084 620296326 /nfs/dbraw/zinc/29/63/26/620296326.db2.gz AXVNUSRPWQERKZ-HNNXBMFYSA-N 1 1 257.381 3.193 20 30 CGEDMO C=C(Br)C[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000134900343 620348658 /nfs/dbraw/zinc/34/86/58/620348658.db2.gz DFZKZOSFWLEDFJ-UHFFFAOYSA-N 1 1 296.208 3.398 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CC[C@H](Cc2nccs2)C1 ZINC000898071351 620476818 /nfs/dbraw/zinc/47/68/18/620476818.db2.gz JESHRTHWXSDHLL-CYBMUJFWSA-N 1 1 277.437 3.337 20 30 CGEDMO N#Cc1csc(C[N@H+]2CC[C@H](Cc3nccs3)C2)c1 ZINC000898071423 620477122 /nfs/dbraw/zinc/47/71/22/620477122.db2.gz JVWHKGHIKVUCDP-LLVKDONJSA-N 1 1 289.429 3.141 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1c(C2CCC2)cnn1C ZINC000898244627 620496690 /nfs/dbraw/zinc/49/66/90/620496690.db2.gz NGPBMCAREYMCHL-UHFFFAOYSA-N 1 1 261.413 3.476 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)C23CCC(CC2)CC3)CC1 ZINC000989710042 620521932 /nfs/dbraw/zinc/52/19/32/620521932.db2.gz ZKDSNEJJVYTYKB-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)C3CCCCC3)CCC[C@@H]12 ZINC000989919148 620531986 /nfs/dbraw/zinc/53/19/86/620531986.db2.gz LBRDHZDSEJBHHH-AEFFLSMTSA-N 1 1 290.451 3.256 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)C3CCCCC3)CCC[C@H]12 ZINC000989918751 620532093 /nfs/dbraw/zinc/53/20/93/620532093.db2.gz DJKRTQXOQHGBEY-WMZOPIPTSA-N 1 1 290.451 3.256 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC=CCC3)CCC[C@H]12 ZINC000989946256 620533141 /nfs/dbraw/zinc/53/31/41/620533141.db2.gz YLBCYYDSHWWOSP-SOLBZPMBSA-N 1 1 288.435 3.032 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000898516022 620595332 /nfs/dbraw/zinc/59/53/32/620595332.db2.gz KHMICLPPUHLRMJ-HUUCEWRRSA-N 1 1 290.432 3.258 20 30 CGEDMO C=CCCC[N@@H+](CC)Cn1c(=O)scc1C(F)(F)F ZINC000902668766 621395792 /nfs/dbraw/zinc/39/57/92/621395792.db2.gz GCXAZACZKCFMHW-UHFFFAOYSA-N 1 1 294.342 3.174 20 30 CGEDMO C=CCCC[N@H+](CC)Cn1c(=O)scc1C(F)(F)F ZINC000902668766 621395794 /nfs/dbraw/zinc/39/57/94/621395794.db2.gz GCXAZACZKCFMHW-UHFFFAOYSA-N 1 1 294.342 3.174 20 30 CGEDMO C=CCC[C@H]([NH2+]C[C@H]1CCCN(C)C1)[C@]1(C)CCCCO1 ZINC000902795681 621451256 /nfs/dbraw/zinc/45/12/56/621451256.db2.gz FONBANJQWHASIK-SQNIBIBYSA-N 1 1 294.483 3.212 20 30 CGEDMO Cc1ccncc1[C@@H](C)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902849166 621471512 /nfs/dbraw/zinc/47/15/12/621471512.db2.gz HKCVIYICFKXEFD-OLZOCXBDSA-N 1 1 266.348 3.069 20 30 CGEDMO C[C@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1ccc([N+](=O)[O-])cc1 ZINC000902999341 621524315 /nfs/dbraw/zinc/52/43/15/621524315.db2.gz BGGGHSXCZYFYGF-RYUDHWBXSA-N 1 1 296.330 3.273 20 30 CGEDMO N#CC1(C[NH2+][C@H]2CCCc3ccc(F)cc32)CCC1 ZINC000903032223 621534779 /nfs/dbraw/zinc/53/47/79/621534779.db2.gz GNIGSDBEILYYBV-HNNXBMFYSA-N 1 1 258.340 3.487 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CCC1)c1ccnn1-c1ccccc1 ZINC000903031052 621535512 /nfs/dbraw/zinc/53/55/12/621535512.db2.gz AWMXTRXPBZAVBD-CQSZACIVSA-N 1 1 280.375 3.217 20 30 CGEDMO COc1ccccc1C1([NH2+][C@@H](C)c2cc(C#N)ccn2)CC1 ZINC000903036862 621538596 /nfs/dbraw/zinc/53/85/96/621538596.db2.gz BKWFLTVVMLAZLA-ZDUSSCGKSA-N 1 1 293.370 3.302 20 30 CGEDMO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CC(C)(C)C#N ZINC000903100562 621572570 /nfs/dbraw/zinc/57/25/70/621572570.db2.gz TXZHOAHWNQJIQS-CQSZACIVSA-N 1 1 258.365 3.348 20 30 CGEDMO CCc1nc2c(s1)[C@@H]([NH2+]CC(C)(C)C#N)CCC2 ZINC000903100524 621572813 /nfs/dbraw/zinc/57/28/13/621572813.db2.gz READHACNQMFYJX-JTQLQIEISA-N 1 1 263.410 3.222 20 30 CGEDMO Cc1cc2ncc([C@@H](C)[NH2+]CC3(C#N)CCCC3)c(C)n2n1 ZINC000903108391 621581234 /nfs/dbraw/zinc/58/12/34/621581234.db2.gz BPNHHROFLHVUCS-CYBMUJFWSA-N 1 1 297.406 3.081 20 30 CGEDMO CC(=O)N1CC[C@@H]([NH2+]CC2(C#N)CCCC2)c2ccccc21 ZINC000903109543 621582397 /nfs/dbraw/zinc/58/23/97/621582397.db2.gz QXTRVHHCBRYPSA-MRXNPFEDSA-N 1 1 297.402 3.158 20 30 CGEDMO COc1ccc([C@H](C)[NH2+]CC2(C#N)CCCC2)cc1O ZINC000903109906 621584106 /nfs/dbraw/zinc/58/41/06/621584106.db2.gz XAHZLMIWYWJIIO-LBPRGKRZSA-N 1 1 274.364 3.135 20 30 CGEDMO CC[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccsc1 ZINC000903263584 621648300 /nfs/dbraw/zinc/64/83/00/621648300.db2.gz OGAYPBAKUHKAMO-NSHDSACASA-N 1 1 263.391 3.317 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCCC[C@H]2C2(CN)CCC2)CC1 ZINC000903813044 621814906 /nfs/dbraw/zinc/81/49/06/621814906.db2.gz XZVJECJZQYCIPU-JCYILVPMSA-N 1 1 289.467 3.300 20 30 CGEDMO N#CC1CCC(C[N@@H+]2CCCC[C@H]2C2(CN)CCC2)CC1 ZINC000903813044 621814907 /nfs/dbraw/zinc/81/49/07/621814907.db2.gz XZVJECJZQYCIPU-JCYILVPMSA-N 1 1 289.467 3.300 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc([C@@H]2CCCCS2)no1 ZINC000904637712 621949646 /nfs/dbraw/zinc/94/96/46/621949646.db2.gz BEXBOIBBGZPZMZ-QWRGUYRKSA-N 1 1 267.398 3.384 20 30 CGEDMO CCCCCCC[C@@H](C)[NH2+]CC(C)(C)N1CCN(C)CC1 ZINC000059090380 622991902 /nfs/dbraw/zinc/99/19/02/622991902.db2.gz WIPWKEQNQYJGMJ-QGZVFWFLSA-N 1 1 297.531 3.351 20 30 CGEDMO CCCCCCC[NH+]1CCN(CC(F)(F)F)CC1 ZINC000172648710 623266702 /nfs/dbraw/zinc/26/67/02/623266702.db2.gz YIHSJWFBQPDPEW-UHFFFAOYSA-N 1 1 266.351 3.137 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1cccc(Cl)c1OCC ZINC000827826914 623470822 /nfs/dbraw/zinc/47/08/22/623470822.db2.gz NNQCOCAPXWBOCN-UHFFFAOYSA-N 1 1 295.810 3.210 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C2CCCCC2)[C@H]1C ZINC000992987750 623769661 /nfs/dbraw/zinc/76/96/61/623769661.db2.gz REXBPBHQYCDFII-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C2CCCCC2)[C@@H]1C ZINC000992988090 623775379 /nfs/dbraw/zinc/77/53/79/623775379.db2.gz UYEKKKKLYBKKIR-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)o2)[C@@H]1C ZINC000993036727 623799858 /nfs/dbraw/zinc/79/98/58/623799858.db2.gz LTYRHVVYXZASRE-NWDGAFQWSA-N 1 1 296.798 3.092 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)oc2C)[C@H]1C ZINC000993053165 623807231 /nfs/dbraw/zinc/80/72/31/623807231.db2.gz VDHCRVUPDKLICC-CJNGLKHVSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C2C(C)(C)C2(C)C)[C@@H]1C ZINC000993185166 623907533 /nfs/dbraw/zinc/90/75/33/623907533.db2.gz NXPCSMAAKGYHQY-KBPBESRZSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C(C)=C2CCCC2)[C@H]1C ZINC000993196458 623940784 /nfs/dbraw/zinc/94/07/84/623940784.db2.gz INLQXODTBHEABC-NVXWUHKLSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C2=CCCC2)[C@H]1C ZINC000993236559 623996046 /nfs/dbraw/zinc/99/60/46/623996046.db2.gz SLYJAXGCBFWNMA-GDBMZVCRSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2occc2Cl)[C@@H]1C ZINC000993777614 624062092 /nfs/dbraw/zinc/06/20/92/624062092.db2.gz QXRJAEWXNIMRFR-AAEUAGOBSA-N 1 1 296.798 3.092 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C2(F)CCCCC2)[C@H]1C ZINC000994154696 624069982 /nfs/dbraw/zinc/06/99/82/624069982.db2.gz CUXVUBPWFHFCSY-HUUCEWRRSA-N 1 1 296.430 3.204 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C2(F)CCCCC2)[C@@H]1C ZINC000994155610 624070396 /nfs/dbraw/zinc/07/03/96/624070396.db2.gz DZDFWFUUSFMCCD-LSDHHAIUSA-N 1 1 296.430 3.204 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C)c2C)[C@@H]1C ZINC000994327619 624205448 /nfs/dbraw/zinc/20/54/48/624205448.db2.gz LBJPOTPQGPFBCI-RDJZCZTQSA-N 1 1 286.419 3.072 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154351964 624258940 /nfs/dbraw/zinc/25/89/40/624258940.db2.gz KOLFYXYHTYVJNZ-INIZCTEOSA-N 1 1 292.379 3.306 20 30 CGEDMO CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)cc(C#N)cc2C)[C@H](C)C1 ZINC000930000821 624317358 /nfs/dbraw/zinc/31/73/58/624317358.db2.gz RZKYQYIWDFNZJK-VQIMIIECSA-N 1 1 299.462 3.337 20 30 CGEDMO CCN1CC[C@@H]([N@H+](C)Cc2c(C)cc(C#N)cc2C)[C@H](C)C1 ZINC000930000821 624317361 /nfs/dbraw/zinc/31/73/61/624317361.db2.gz RZKYQYIWDFNZJK-VQIMIIECSA-N 1 1 299.462 3.337 20 30 CGEDMO CCN1CC[C@@H]([N@@H+](C)Cc2c(C)cc(C#N)cc2C)[C@H](C)C1 ZINC000930000821 624317367 /nfs/dbraw/zinc/31/73/67/624317367.db2.gz RZKYQYIWDFNZJK-VQIMIIECSA-N 1 1 299.462 3.337 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(F)cc(C(C)=O)c1O ZINC000175521953 624642707 /nfs/dbraw/zinc/64/27/07/624642707.db2.gz WOOMSWQGJMXZDT-UHFFFAOYSA-N 1 1 265.328 3.132 20 30 CGEDMO C=CCC[C@@H](OC(=O)c1cnn(-c2cc[nH+]cc2)c1)C1CC1 ZINC000835242930 634410012 /nfs/dbraw/zinc/41/00/12/634410012.db2.gz CULGSWVMBNJGJX-MRXNPFEDSA-N 1 1 297.358 3.169 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000877597077 635106738 /nfs/dbraw/zinc/10/67/38/635106738.db2.gz YTEHTRLLKBZCOB-MRXNPFEDSA-N 1 1 251.414 3.055 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC)cc2)C1 ZINC001016156880 625832655 /nfs/dbraw/zinc/83/26/55/625832655.db2.gz PQQVCMYRFMUVJJ-QGZVFWFLSA-N 1 1 286.419 3.019 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[C@H]2CCC)CC1 ZINC001000880823 625883436 /nfs/dbraw/zinc/88/34/36/625883436.db2.gz XCKIHPYIHZGLDE-SJORKVTESA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@@H]2CC)CC1 ZINC001001117043 625891039 /nfs/dbraw/zinc/89/10/39/625891039.db2.gz SZVJWBMSELGNMT-DLBZAZTESA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@H]2CC[C@H](C)C2)CC1 ZINC001001225518 625893473 /nfs/dbraw/zinc/89/34/73/625893473.db2.gz KJGVCNSVYJFATD-RDJZCZTQSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CC[C@H](C)CC2)CC1 ZINC001001387023 625896328 /nfs/dbraw/zinc/89/63/28/625896328.db2.gz QTTNIASJKNUXPB-JCNLHEQBSA-N 1 1 290.451 3.137 20 30 CGEDMO N#Cc1cc(C[NH2+]Cc2ccc3c(n2)CCCC3)cs1 ZINC000922064988 625968721 /nfs/dbraw/zinc/96/87/21/625968721.db2.gz YHYHJUBPHHUWIH-UHFFFAOYSA-N 1 1 283.400 3.183 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@@]2(C)CC=CCC2)CC1 ZINC001002904584 625968939 /nfs/dbraw/zinc/96/89/39/625968939.db2.gz WEQAXVFZFVBSIT-INIZCTEOSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)C[C@@H]2C=CCCC2)CC1 ZINC001003144057 625975586 /nfs/dbraw/zinc/97/55/86/625975586.db2.gz VEOIMTDVZGEEGU-CQSZACIVSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CCCC[C@H]2C)CC1 ZINC001003521399 625982231 /nfs/dbraw/zinc/98/22/31/625982231.db2.gz BDFMRCSNMPKLEE-DOMZBBRYSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CCC[C@H](C)C2)CC1 ZINC001003524454 625982614 /nfs/dbraw/zinc/98/26/14/625982614.db2.gz CCRMYAZHCBCLHX-JSGCOSHPSA-N 1 1 298.858 3.146 20 30 CGEDMO N#Cc1cc(C[NH2+][C@@H]2C[C@@]2(F)c2ccccc2)cs1 ZINC000922197692 625982854 /nfs/dbraw/zinc/98/28/54/625982854.db2.gz JVWPNKCPQDIVOM-HUUCEWRRSA-N 1 1 272.348 3.347 20 30 CGEDMO N#Cc1cc(C[NH2+]Cc2nccc3c2CCCC3)cs1 ZINC000922463610 626007652 /nfs/dbraw/zinc/00/76/52/626007652.db2.gz UNXJDOXGBXREGI-UHFFFAOYSA-N 1 1 283.400 3.183 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)/C(C)=C\C)CC1 ZINC001004397199 626047007 /nfs/dbraw/zinc/04/70/07/626047007.db2.gz BMSFNSAIWZNTJP-DBCFMDJHSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2CC=CCC2)CC1 ZINC001005100373 626087709 /nfs/dbraw/zinc/08/77/09/626087709.db2.gz GKYDQNTUCWQNIL-AWEZNQCLSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CCC1(C(=O)O[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000835397661 634482882 /nfs/dbraw/zinc/48/28/82/634482882.db2.gz UBQMKRQZIDBSML-HUUCEWRRSA-N 1 1 277.408 3.293 20 30 CGEDMO C=CCCCCCCNC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000838592175 626240120 /nfs/dbraw/zinc/24/01/20/626240120.db2.gz PTMUDOVCZGSHEF-MRXNPFEDSA-N 1 1 295.471 3.154 20 30 CGEDMO C=CC[C@@H]1[N@H+](CCC(=O)N2CCCC2)CCCC1(C)C ZINC000838971690 626288826 /nfs/dbraw/zinc/28/88/26/626288826.db2.gz QVAPSEVGBZWIHP-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000839090369 626312411 /nfs/dbraw/zinc/31/24/11/626312411.db2.gz JTIRWYMJSJSSKX-GJZGRUSLSA-N 1 1 296.455 3.435 20 30 CGEDMO C#CCOc1ccc(C[NH+]2CC(C)(CC(F)(F)F)C2)cc1 ZINC000839143762 626323413 /nfs/dbraw/zinc/32/34/13/626323413.db2.gz SCXHFCVHRFCKJM-UHFFFAOYSA-N 1 1 297.320 3.473 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000752857721 626441061 /nfs/dbraw/zinc/44/10/61/626441061.db2.gz XTMMWLLVYMSWKM-MRXNPFEDSA-N 1 1 286.419 3.009 20 30 CGEDMO C#CC[N@H+](Cc1cccc(Br)c1)CC1CC1 ZINC000753203267 626447729 /nfs/dbraw/zinc/44/77/29/626447729.db2.gz FHMKVBNMKNSMJT-UHFFFAOYSA-N 1 1 278.193 3.294 20 30 CGEDMO C=CCc1cc(C[N@H+](CCC#N)C(C)C)c(O)c(OC)c1 ZINC000754720199 626584506 /nfs/dbraw/zinc/58/45/06/626584506.db2.gz MLEWJYOSJWZPPV-UHFFFAOYSA-N 1 1 288.391 3.253 20 30 CGEDMO C=CCc1cc(C[N@@H+](CCC#N)C(C)C)c(O)c(OC)c1 ZINC000754720199 626584507 /nfs/dbraw/zinc/58/45/07/626584507.db2.gz MLEWJYOSJWZPPV-UHFFFAOYSA-N 1 1 288.391 3.253 20 30 CGEDMO CCCCCCCCNC(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000754864937 626591036 /nfs/dbraw/zinc/59/10/36/626591036.db2.gz IDHJYJFPVFOCDE-MRXNPFEDSA-N 1 1 297.487 3.376 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)CC/C=C\c1ccccc1 ZINC000756552871 626714638 /nfs/dbraw/zinc/71/46/38/626714638.db2.gz LNXMIVMXGOWQRB-HJLMUGLJSA-N 1 1 297.398 3.121 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC000839679046 626777879 /nfs/dbraw/zinc/77/78/79/626777879.db2.gz LGMLOEHKIOSIHR-KRWDZBQOSA-N 1 1 294.439 3.428 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CC1=NOCC(F)F ZINC000758898908 626864563 /nfs/dbraw/zinc/86/45/63/626864563.db2.gz AEZYIQHSCOOGRC-GFCCVEGCSA-N 1 1 282.334 3.166 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@H](C)[S@](=O)CC1 ZINC000759867719 626928639 /nfs/dbraw/zinc/92/86/39/626928639.db2.gz JMEFTDDVQAOSMB-WMLDXEAASA-N 1 1 259.459 3.190 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1cccc2ccccc21 ZINC000760819326 626994124 /nfs/dbraw/zinc/99/41/24/626994124.db2.gz JAEGMPJRYCBBDH-UHFFFAOYSA-N 1 1 267.372 3.312 20 30 CGEDMO C=C(Cl)CN(CC)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000760879247 626999085 /nfs/dbraw/zinc/99/90/85/626999085.db2.gz SUIWKMLIOAMZIS-INIZCTEOSA-N 1 1 278.827 3.335 20 30 CGEDMO C#CC[N@H+](CC)Cc1cccc(Br)c1C ZINC000761668320 627055638 /nfs/dbraw/zinc/05/56/38/627055638.db2.gz BBFVQPGSYLZZGI-UHFFFAOYSA-N 1 1 266.182 3.213 20 30 CGEDMO C[C@H]1CC(N=Nc2ccc(Cl)c(Cl)c2)C[N@H+]1C ZINC000761805440 627061260 /nfs/dbraw/zinc/06/12/60/627061260.db2.gz DCIDYHOXNDZGAC-QMMMGPOBSA-N 1 1 272.179 3.485 20 30 CGEDMO C[C@@H]1CC(N=Nc2ccc(Cl)c(Cl)c2)C[N@H+]1C ZINC000761805438 627061625 /nfs/dbraw/zinc/06/16/25/627061625.db2.gz DCIDYHOXNDZGAC-MRVPVSSYSA-N 1 1 272.179 3.485 20 30 CGEDMO C[C@@H](CC#N)N[NH+]=Cc1c(Cl)cccc1N1CCCC1 ZINC000763370568 627154380 /nfs/dbraw/zinc/15/43/80/627154380.db2.gz RKBQYSSZAPELAG-LBPRGKRZSA-N 1 1 290.798 3.166 20 30 CGEDMO C[C@H](C#N)CN[NH+]=Cc1c(Cl)cccc1N1CCCC1 ZINC000763369349 627154423 /nfs/dbraw/zinc/15/44/23/627154423.db2.gz GQWVWYPJPXVIDU-GFCCVEGCSA-N 1 1 290.798 3.023 20 30 CGEDMO C=CC[N@@H+](C[C@@H]1CC2(CC2)C(=O)O1)CC1CCCCC1 ZINC000763690941 627174039 /nfs/dbraw/zinc/17/40/39/627174039.db2.gz MCBHRGHFSPCCNM-HNNXBMFYSA-N 1 1 277.408 3.150 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000764156839 627197381 /nfs/dbraw/zinc/19/73/81/627197381.db2.gz QJGWATDKKITXAU-KRWDZBQOSA-N 1 1 286.419 3.076 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1/N=C\c1ccccc1O ZINC000764887876 627231577 /nfs/dbraw/zinc/23/15/77/627231577.db2.gz IQHUVCMSNWWOIB-CSXOVNKWSA-N 1 1 294.398 3.332 20 30 CGEDMO CC#CCC[N@H+](CCC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000764962798 627234474 /nfs/dbraw/zinc/23/44/74/627234474.db2.gz LDORGDCHFCEXPF-HNNXBMFYSA-N 1 1 294.439 3.121 20 30 CGEDMO C#CCCC[N@@H+](C)CCCOc1cccc(Cl)c1 ZINC000766895950 627367446 /nfs/dbraw/zinc/36/74/46/627367446.db2.gz UPJDTENPTKGUTN-UHFFFAOYSA-N 1 1 265.784 3.454 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@H]1Cc1ccccc1OC ZINC000766895203 627367879 /nfs/dbraw/zinc/36/78/79/627367879.db2.gz JZZMSKISZXFIKL-INIZCTEOSA-N 1 1 257.377 3.116 20 30 CGEDMO C#CCCC[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000766902351 627369646 /nfs/dbraw/zinc/36/96/46/627369646.db2.gz GPXZZCMQDMJQRM-QGZVFWFLSA-N 1 1 256.393 3.001 20 30 CGEDMO C#CCOc1ccc(C[N@@H+](C)Cc2cccs2)cc1 ZINC000768161346 627464480 /nfs/dbraw/zinc/46/44/80/627464480.db2.gz ZMNLEHLPAWJUKI-UHFFFAOYSA-N 1 1 271.385 3.392 20 30 CGEDMO CCOc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)c(O)c1 ZINC000768263842 627471841 /nfs/dbraw/zinc/47/18/41/627471841.db2.gz XOHCWWMHYVUCFL-UHFFFAOYSA-N 1 1 296.370 3.295 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OCCOC)cc1)C(C)C ZINC000768551733 627486804 /nfs/dbraw/zinc/48/68/04/627486804.db2.gz SGSRNKKYNLCOEB-UHFFFAOYSA-N 1 1 263.381 3.108 20 30 CGEDMO CC(C)[N@H+](CCC#N)Cc1cc(Br)ccc1O ZINC000768763168 627497365 /nfs/dbraw/zinc/49/73/65/627497365.db2.gz HJTJRFMCJLZVAX-UHFFFAOYSA-N 1 1 297.196 3.279 20 30 CGEDMO CC(C)[N@@H+](CCC#N)Cc1cc(Br)ccc1O ZINC000768763168 627497368 /nfs/dbraw/zinc/49/73/68/627497368.db2.gz HJTJRFMCJLZVAX-UHFFFAOYSA-N 1 1 297.196 3.279 20 30 CGEDMO C#CC[N@@H+](CC)Cc1cccc(OCC)c1OC(F)F ZINC000769104878 627522470 /nfs/dbraw/zinc/52/24/70/627522470.db2.gz KLHLTLRFXGPBAE-UHFFFAOYSA-N 1 1 283.318 3.142 20 30 CGEDMO C#CC[N@H+](CC)Cc1cccc(OCC)c1OC(F)F ZINC000769104878 627522473 /nfs/dbraw/zinc/52/24/73/627522473.db2.gz KLHLTLRFXGPBAE-UHFFFAOYSA-N 1 1 283.318 3.142 20 30 CGEDMO C#CCCOc1ccc(C[N@H+](CC)C2CCC2)cc1 ZINC000769467322 627556250 /nfs/dbraw/zinc/55/62/50/627556250.db2.gz UDXPSGXQBZXJQS-UHFFFAOYSA-N 1 1 257.377 3.463 20 30 CGEDMO Cc1ccc(C)c2c1CCCC2=NNc1cc[nH+]cc1 ZINC000769799037 627579069 /nfs/dbraw/zinc/57/90/69/627579069.db2.gz QWSCWIKCKAJTCB-UHFFFAOYSA-N 1 1 265.360 3.273 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)CCOc1ccc2ccccc2c1 ZINC000769963635 627593204 /nfs/dbraw/zinc/59/32/04/627593204.db2.gz ZEEFOFBQHCSBLC-CQSZACIVSA-N 1 1 253.345 3.172 20 30 CGEDMO C#CCOc1ccccc1C[NH2+][C@@H](C)c1c(C)onc1CC ZINC000772988489 627838389 /nfs/dbraw/zinc/83/83/89/627838389.db2.gz QGFJNIAVYGEIEX-ZDUSSCGKSA-N 1 1 298.386 3.408 20 30 CGEDMO C=C(Cl)C[NH2+][C@H]1CCCc2oc(C(=O)OCC)c(C)c21 ZINC000774255800 627968996 /nfs/dbraw/zinc/96/89/96/627968996.db2.gz WDEFYGIZVRSQCF-NSHDSACASA-N 1 1 297.782 3.484 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)cc1 ZINC000775134703 628066895 /nfs/dbraw/zinc/06/68/95/628066895.db2.gz DKVVFFNNYVTMJD-AWEZNQCLSA-N 1 1 297.320 3.473 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(OC)c(O[C@@H](C)CC)c1 ZINC000775178341 628069599 /nfs/dbraw/zinc/06/95/99/628069599.db2.gz HEGKWKGYVRHAPI-KGLIPLIRSA-N 1 1 275.392 3.326 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(OC(F)F)c(OCC)c1 ZINC000775183252 628070061 /nfs/dbraw/zinc/07/00/61/628070061.db2.gz KXMHNDXKRXEOMP-LLVKDONJSA-N 1 1 283.318 3.140 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000775184466 628070534 /nfs/dbraw/zinc/07/05/34/628070534.db2.gz WABYJURDCQEFKO-JTQLQIEISA-N 1 1 257.255 3.039 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000775590053 628112240 /nfs/dbraw/zinc/11/22/40/628112240.db2.gz AOTZPNMFJDACHG-AWEZNQCLSA-N 1 1 282.428 3.284 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](SC)[C@H](N2CCCC2)C1 ZINC000776483104 628213838 /nfs/dbraw/zinc/21/38/38/628213838.db2.gz CDBXYXUQSUMRGV-HZPDHXFCSA-N 1 1 284.513 3.468 20 30 CGEDMO CCCCCCCN1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1 ZINC000776483104 628213839 /nfs/dbraw/zinc/21/38/39/628213839.db2.gz CDBXYXUQSUMRGV-HZPDHXFCSA-N 1 1 284.513 3.468 20 30 CGEDMO C[C@H]1CC(N=Nc2ccccc2OC(F)(F)F)C[N@H+]1C ZINC000777453851 628272200 /nfs/dbraw/zinc/27/22/00/628272200.db2.gz TVQANCZCSPHSCE-VIFPVBQESA-N 1 1 287.285 3.077 20 30 CGEDMO C#CCCC[N@@H+](CC(=O)OCC)[C@@H](C)c1ccccc1 ZINC000777711710 628295086 /nfs/dbraw/zinc/29/50/86/628295086.db2.gz HKKRMOSTBJVJOO-HNNXBMFYSA-N 1 1 273.376 3.026 20 30 CGEDMO C#CCCC[N@H+](CC(=O)OCC)[C@@H](C)c1ccccc1 ZINC000777711710 628295088 /nfs/dbraw/zinc/29/50/88/628295088.db2.gz HKKRMOSTBJVJOO-HNNXBMFYSA-N 1 1 273.376 3.026 20 30 CGEDMO C=CCCCCC[N@H+](C)CN1CC2(CCCC2)OC1=O ZINC000778573989 628358760 /nfs/dbraw/zinc/35/87/60/628358760.db2.gz SWLBTBLMWZQJRK-UHFFFAOYSA-N 1 1 280.412 3.387 20 30 CGEDMO C#CCC(C)(C)COC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000779456734 628414727 /nfs/dbraw/zinc/41/47/27/628414727.db2.gz NXMAZIGLFYFXGV-QGZVFWFLSA-N 1 1 299.414 3.244 20 30 CGEDMO C#CCC(C)(C)COC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000779456734 628414729 /nfs/dbraw/zinc/41/47/29/628414729.db2.gz NXMAZIGLFYFXGV-QGZVFWFLSA-N 1 1 299.414 3.244 20 30 CGEDMO CN1c2ccccc2C(C)(C)C1=CC=[NH+][N-]c1cc[nH+]cc1 ZINC000779806748 628433032 /nfs/dbraw/zinc/43/30/32/628433032.db2.gz FFTXSCQZKPUNBC-IIGYNDKKSA-N 1 1 292.386 3.213 20 30 CGEDMO FC(F)Oc1cccc(Cl)c1C=NNc1cc[nH+]cc1 ZINC000779809043 628433441 /nfs/dbraw/zinc/43/34/41/628433441.db2.gz KJKAOKBOZOIPMS-UHFFFAOYSA-N 1 1 297.692 3.204 20 30 CGEDMO CCCCOc1ccc(C=NNc2cc[nH+]cc2)cc1OC ZINC000779810061 628434111 /nfs/dbraw/zinc/43/41/11/628434111.db2.gz ZBOHBIZWCAMDDF-UHFFFAOYSA-N 1 1 299.374 3.137 20 30 CGEDMO C#CCCCCCC(=O)O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000780381552 628485546 /nfs/dbraw/zinc/48/55/46/628485546.db2.gz PYWQHQWCQRDPOM-SFHVURJKSA-N 1 1 299.414 3.388 20 30 CGEDMO CCON=C1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000781123733 628538333 /nfs/dbraw/zinc/53/83/33/628538333.db2.gz HFDPUWZZEDTXQV-JKSUJKDBSA-N 1 1 272.392 3.311 20 30 CGEDMO CCCCCCCC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000781189528 628546169 /nfs/dbraw/zinc/54/61/69/628546169.db2.gz NBDGDKMPCWYGKF-AWEZNQCLSA-N 1 1 266.429 3.114 20 30 CGEDMO COc1ccc(N=NC2C[N@H+](C3CC3)C[C@@H]2C)cc1Cl ZINC000782230517 628627731 /nfs/dbraw/zinc/62/77/31/628627731.db2.gz OMOBNXQPNCFIEM-JTQLQIEISA-N 1 1 293.798 3.231 20 30 CGEDMO Cc1cc(CO[NH+]=C(N)C2CCCC2)ccc1C#N ZINC000783025431 628673450 /nfs/dbraw/zinc/67/34/50/628673450.db2.gz BZHASJIUPRAGGZ-UHFFFAOYSA-N 1 1 257.337 3.055 20 30 CGEDMO CCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(C#N)cn2)s1 ZINC000783295098 628700272 /nfs/dbraw/zinc/70/02/72/628700272.db2.gz ZHLWWCFRUKKBEJ-JTQLQIEISA-N 1 1 286.404 3.131 20 30 CGEDMO C#CCCC[N@@H+](Cc1ccccc1)C[C@](C)(O)CC ZINC000784397389 628812476 /nfs/dbraw/zinc/81/24/76/628812476.db2.gz INCAGDVOLLWYQD-QGZVFWFLSA-N 1 1 259.393 3.063 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1nnc(-c2cccc(F)c2)o1 ZINC000785997475 628906689 /nfs/dbraw/zinc/90/66/89/628906689.db2.gz POBPJOBUZOFIDZ-AWEZNQCLSA-N 1 1 287.338 3.416 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nnc(-c2cccc(F)c2)o1 ZINC000785997475 628906695 /nfs/dbraw/zinc/90/66/95/628906695.db2.gz POBPJOBUZOFIDZ-AWEZNQCLSA-N 1 1 287.338 3.416 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc(F)cc1F ZINC000785998159 628906880 /nfs/dbraw/zinc/90/68/80/628906880.db2.gz XBDMIJUBHIPINZ-SWLSCSKDSA-N 1 1 267.319 3.039 20 30 CGEDMO C=CCC[N@H+](C)Cn1ncc2c1cccc2Br ZINC000786101457 628914258 /nfs/dbraw/zinc/91/42/58/628914258.db2.gz GFWPLTAQLOKDRV-UHFFFAOYSA-N 1 1 294.196 3.264 20 30 CGEDMO C#CCOc1ccc(C[N@H+](C)Cc2ccc(C)cn2)cc1 ZINC000789593929 629149170 /nfs/dbraw/zinc/14/91/70/629149170.db2.gz CMSVCVGZOHHZIS-UHFFFAOYSA-N 1 1 280.371 3.034 20 30 CGEDMO C#C[C@H](OC(=O)c1ccc(C[N@H+](CC)CCC)cc1)C1CC1 ZINC000805902311 629163997 /nfs/dbraw/zinc/16/39/97/629163997.db2.gz OLYMJONXNIYLBA-SFHVURJKSA-N 1 1 299.414 3.487 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)CC(C)(C)c2ccccc2)n1 ZINC000789762058 629166158 /nfs/dbraw/zinc/16/61/58/629166158.db2.gz SQNXGTNAQSFQPD-UHFFFAOYSA-N 1 1 295.430 3.316 20 30 CGEDMO CC[C@H](C)NN=C1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000790187534 629191122 /nfs/dbraw/zinc/19/11/22/629191122.db2.gz FXZZMYUKXAERTM-CABCVRRESA-N 1 1 273.424 3.273 20 30 CGEDMO CC[C@H](C)NN=C1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000790187534 629191124 /nfs/dbraw/zinc/19/11/24/629191124.db2.gz FXZZMYUKXAERTM-CABCVRRESA-N 1 1 273.424 3.273 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1cc(Cl)c(OCC=C)c(OC)c1 ZINC000862348883 629345916 /nfs/dbraw/zinc/34/59/16/629345916.db2.gz IZTIFHFDLFHVHZ-LBPRGKRZSA-N 1 1 293.794 3.367 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1cc(Cl)c(OCC=C)c(OC)c1 ZINC000862348881 629346591 /nfs/dbraw/zinc/34/65/91/629346591.db2.gz IZTIFHFDLFHVHZ-GFCCVEGCSA-N 1 1 293.794 3.367 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cccc(OC(C)C)c2)C1 ZINC000862442966 629374994 /nfs/dbraw/zinc/37/49/94/629374994.db2.gz JINRPUQIOPVVLA-OAHLLOKOSA-N 1 1 257.377 3.319 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000862443533 629376727 /nfs/dbraw/zinc/37/67/27/629376727.db2.gz QOKQNYIQWCEZFF-LBPRGKRZSA-N 1 1 265.303 3.133 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(OCC=C)cc2)C1 ZINC000862443525 629377023 /nfs/dbraw/zinc/37/70/23/629377023.db2.gz QLZBLIUTUMAFSS-HNNXBMFYSA-N 1 1 255.361 3.097 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000862445452 629379310 /nfs/dbraw/zinc/37/93/10/629379310.db2.gz UGSOJNBRGKAMQQ-HNNXBMFYSA-N 1 1 293.370 3.114 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000862448416 629381560 /nfs/dbraw/zinc/38/15/60/629381560.db2.gz YGCYITFVNMRUHO-OAHLLOKOSA-N 1 1 264.372 3.087 20 30 CGEDMO CC[N@@H+](CCNC(=O)OC(C)(C)C)CC(C)(C)CCC#N ZINC000862468664 629384042 /nfs/dbraw/zinc/38/40/42/629384042.db2.gz LATMNVLESZUSEU-UHFFFAOYSA-N 1 1 297.443 3.163 20 30 CGEDMO CCc1[nH+]c(CN=Nc2cccc(Cl)n2)c2ccccn21 ZINC000793180867 629423672 /nfs/dbraw/zinc/42/36/72/629423672.db2.gz CMMCFOFRJMUQTP-UHFFFAOYSA-N 1 1 299.765 3.391 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000793229339 629432650 /nfs/dbraw/zinc/43/26/50/629432650.db2.gz XPBNPGUFBXSYTP-TZMCWYRMSA-N 1 1 297.320 3.471 20 30 CGEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)CN=Nc1cncnc1 ZINC000794977237 629611547 /nfs/dbraw/zinc/61/15/47/629611547.db2.gz YSLHTHCJQTUUHI-UHFFFAOYSA-N 1 1 297.406 3.033 20 30 CGEDMO COCCCON=CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000795050383 629627649 /nfs/dbraw/zinc/62/76/49/629627649.db2.gz BJJTULWEEIKVPM-UHFFFAOYSA-N 1 1 292.423 3.184 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)C[C@H](O)CC1CCCC1 ZINC000796638095 629808916 /nfs/dbraw/zinc/80/89/16/629808916.db2.gz FTALPGVUTUSATA-GOSISDBHSA-N 1 1 271.404 3.063 20 30 CGEDMO C=CCC[C@@H](NCC[N@H+]1CCC[C@H]1C)c1ccco1 ZINC000796785303 629833479 /nfs/dbraw/zinc/83/34/79/629833479.db2.gz XBZXQVFBAQPPHT-HUUCEWRRSA-N 1 1 262.397 3.361 20 30 CGEDMO C=CCC[C@@H](NCC[N@@H+]1CCC[C@H]1C)c1ccco1 ZINC000796785303 629833482 /nfs/dbraw/zinc/83/34/82/629833482.db2.gz XBZXQVFBAQPPHT-HUUCEWRRSA-N 1 1 262.397 3.361 20 30 CGEDMO C=CCC(C)(C)C(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000796847376 629847219 /nfs/dbraw/zinc/84/72/19/629847219.db2.gz JBFCVCUBKJZCAW-MRXNPFEDSA-N 1 1 287.403 3.406 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCN(C)C(=O)OC(C)(C)C ZINC000797944917 630005088 /nfs/dbraw/zinc/00/50/88/630005088.db2.gz CFUPVEUXUDFMPD-UHFFFAOYSA-N 1 1 270.417 3.141 20 30 CGEDMO CCc1[nH+]c(C)cn1CC#Cc1cccc(Cl)c1 ZINC000865394565 630099453 /nfs/dbraw/zinc/09/94/53/630099453.db2.gz OJUDWVSFXOTKMA-UHFFFAOYSA-N 1 1 258.752 3.459 20 30 CGEDMO CSCCC[N@@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000798964759 630130162 /nfs/dbraw/zinc/13/01/62/630130162.db2.gz UMHNJZUYVMYVBX-ZDUSSCGKSA-N 1 1 278.421 3.162 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@@H+](C)CCCSC)c1O ZINC000799160469 630151003 /nfs/dbraw/zinc/15/10/03/630151003.db2.gz IQWFSSXLSYQXCT-UHFFFAOYSA-N 1 1 295.448 3.314 20 30 CGEDMO C#CC[N@H+](CCSC(C)C)Cc1ccc(F)cc1 ZINC000801514543 630339583 /nfs/dbraw/zinc/33/95/83/630339583.db2.gz WMIXUXAGKKDFAI-UHFFFAOYSA-N 1 1 265.397 3.403 20 30 CGEDMO CCC[N@@H+](CCO[C@H](C)C#N)[C@H]1CCc2ccccc2C1 ZINC000801914816 630365634 /nfs/dbraw/zinc/36/56/34/630365634.db2.gz FNTMOAQNVHPYFZ-QAPCUYQASA-N 1 1 286.419 3.185 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000801920767 630367057 /nfs/dbraw/zinc/36/70/57/630367057.db2.gz SDYDXUZRKLBVQD-ABAIWWIYSA-N 1 1 280.318 3.030 20 30 CGEDMO CC[C@@H](Cc1ccccc1)[N@@H+](CC)CCO[C@H](C)C#N ZINC000801927709 630368523 /nfs/dbraw/zinc/36/85/23/630368523.db2.gz ZAQTWOILFUSZIX-WBVHZDCISA-N 1 1 274.408 3.258 20 30 CGEDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2CCO[C@H](C)C#N)c1 ZINC000801938813 630371457 /nfs/dbraw/zinc/37/14/57/630371457.db2.gz MCMQEHNNVKXDTJ-CPUCHLNUSA-N 1 1 288.391 3.007 20 30 CGEDMO CCc1ccc(C2=CC[N@@H+](CCO[C@@H](C)C#N)CC2)cc1 ZINC000801940832 630372127 /nfs/dbraw/zinc/37/21/27/630372127.db2.gz SDFABUQGLCSAQJ-HNNXBMFYSA-N 1 1 284.403 3.267 20 30 CGEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)O[C@@H](C#N)C1CCCCC1 ZINC000803855588 630502698 /nfs/dbraw/zinc/50/26/98/630502698.db2.gz JGGONLZRHIGDSV-CVEARBPZSA-N 1 1 292.423 3.267 20 30 CGEDMO CCCCCCCCC(=O)N1CC[N@@H+](CC)C[C@H]1C ZINC000804378950 630524258 /nfs/dbraw/zinc/52/42/58/630524258.db2.gz FAKXABYUCJPXTF-OAHLLOKOSA-N 1 1 268.445 3.290 20 30 CGEDMO C=CC[N@@H+](CC1CCCCC1)CN1C(=O)CCC1(C)C ZINC000808157848 630627718 /nfs/dbraw/zinc/62/77/18/630627718.db2.gz PKYACXQJTHOFLQ-UHFFFAOYSA-N 1 1 278.440 3.413 20 30 CGEDMO C#CC[N@@H+](Cc1cnnn1-c1ccccc1)C1CCCCC1 ZINC000808712333 630668942 /nfs/dbraw/zinc/66/89/42/630668942.db2.gz CRHPENKAUSVTLP-UHFFFAOYSA-N 1 1 294.402 3.035 20 30 CGEDMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)CCO[C@@H](C)C#N ZINC000808762143 630676301 /nfs/dbraw/zinc/67/63/01/630676301.db2.gz XGKHDHQUXABEMY-XJKSGUPXSA-N 1 1 276.380 3.007 20 30 CGEDMO CCCO[NH+]=C(C)c1ccc(N2CCCC2)cc1O ZINC000842558249 630680268 /nfs/dbraw/zinc/68/02/68/630680268.db2.gz VRCZFDRCWZUGSN-UHFFFAOYSA-N 1 1 262.353 3.143 20 30 CGEDMO C#C[C@H](NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)C(C)C ZINC000809685882 630781679 /nfs/dbraw/zinc/78/16/79/630781679.db2.gz XULDKAJVUIIGNM-JQHSSLGASA-N 1 1 276.468 3.277 20 30 CGEDMO C#CC[N@@H+](Cc1sccc1OC)Cc1ccccc1 ZINC000809716422 630789372 /nfs/dbraw/zinc/78/93/72/630789372.db2.gz OOAXVXGHCXJZGQ-UHFFFAOYSA-N 1 1 271.385 3.392 20 30 CGEDMO C#CC[N@H+](Cc1sccc1OC)Cc1ccccc1 ZINC000809716422 630789375 /nfs/dbraw/zinc/78/93/75/630789375.db2.gz OOAXVXGHCXJZGQ-UHFFFAOYSA-N 1 1 271.385 3.392 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000810048241 630833593 /nfs/dbraw/zinc/83/35/93/630833593.db2.gz ZGCLSLBPEOGLJR-YJBOKZPZSA-N 1 1 269.388 3.258 20 30 CGEDMO C=CCCCCC[C@@H](C)[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000810253204 630859868 /nfs/dbraw/zinc/85/98/68/630859868.db2.gz OBDQTBKHCFVTKH-ZIAGYGMSSA-N 1 1 261.413 3.382 20 30 CGEDMO C=C[C@H](OC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)(C)C ZINC000810835056 630954325 /nfs/dbraw/zinc/95/43/25/630954325.db2.gz SRJAJUBCXRIXIA-LRDDRELGSA-N 1 1 285.403 3.343 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC(F)(F)[C@H](C)C2)cc1 ZINC000811512254 631080666 /nfs/dbraw/zinc/08/06/66/631080666.db2.gz JBZBQVZTYDSHCY-CYBMUJFWSA-N 1 1 279.330 3.176 20 30 CGEDMO CC[N@@H+]1CCCC[C@@H]1C(=O)OCCC1(C#N)CCCCC1 ZINC000840235379 631091359 /nfs/dbraw/zinc/09/13/59/631091359.db2.gz JRRKJJNZEHPXRR-OAHLLOKOSA-N 1 1 292.423 3.268 20 30 CGEDMO CC[N@H+]1CCCC[C@@H]1C(=O)OCCC1(C#N)CCCCC1 ZINC000840235379 631091362 /nfs/dbraw/zinc/09/13/62/631091362.db2.gz JRRKJJNZEHPXRR-OAHLLOKOSA-N 1 1 292.423 3.268 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000812833994 631323029 /nfs/dbraw/zinc/32/30/29/631323029.db2.gz FXPPCPUKWLQDDJ-AWEZNQCLSA-N 1 1 282.428 3.188 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)C[C@H]1CCN(c2ccccc2)C1 ZINC000876530483 634852189 /nfs/dbraw/zinc/85/21/89/634852189.db2.gz SGYGKHGBVPQRRM-QGZVFWFLSA-N 1 1 285.435 3.385 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1scnc1Cl ZINC000878991075 635674209 /nfs/dbraw/zinc/67/42/09/635674209.db2.gz DSYRSDUCAZTYOZ-AOOOYVTPSA-N 1 1 254.786 3.480 20 30 CGEDMO CCC(CC)N[NH+]=C1CC(C)(C)Cc2nc(N)sc21 ZINC000814850951 631655114 /nfs/dbraw/zinc/65/51/14/631655114.db2.gz BEXCUHGMFLFZPB-UHFFFAOYSA-N 1 1 280.441 3.180 20 30 CGEDMO C=CC[N@@H+](C[C@@H](O)c1cc2ccccc2o1)C(C)C ZINC000815020587 631705212 /nfs/dbraw/zinc/70/52/12/631705212.db2.gz DPDRMPLIVJCINV-CQSZACIVSA-N 1 1 259.349 3.363 20 30 CGEDMO C=CCCCOC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000815446032 631780776 /nfs/dbraw/zinc/78/07/76/631780776.db2.gz NAGRKTRGVQEAPI-OAHLLOKOSA-N 1 1 265.397 3.293 20 30 CGEDMO C=C(Cl)COc1ccc([C@@H](C)NC2CC[NH2+]CC2)cc1 ZINC000817937266 632237918 /nfs/dbraw/zinc/23/79/18/632237918.db2.gz WCZUEEIUIBPCJY-CYBMUJFWSA-N 1 1 294.826 3.221 20 30 CGEDMO C[C@@H](c1nc(C2CC2)no1)[N@H+](C)CCc1cccc(C#N)c1 ZINC000879434783 635787540 /nfs/dbraw/zinc/78/75/40/635787540.db2.gz NMZUJKWDUDYQSA-LBPRGKRZSA-N 1 1 296.374 3.054 20 30 CGEDMO C[C@@H](c1nc(C2CC2)no1)[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879434783 635787544 /nfs/dbraw/zinc/78/75/44/635787544.db2.gz NMZUJKWDUDYQSA-LBPRGKRZSA-N 1 1 296.374 3.054 20 30 CGEDMO C=C(C)C(C)(C)C(=O)OCC[C@@H]1CCCC[N@@H+]1C ZINC000821444628 632775202 /nfs/dbraw/zinc/77/52/02/632775202.db2.gz MAWZTMNCRINNNL-ZDUSSCGKSA-N 1 1 253.386 3.006 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCCC[C@@H]1Cc1ccccc1F ZINC000844413133 635893863 /nfs/dbraw/zinc/89/38/63/635893863.db2.gz FQBGSRYTCUYGRN-GOEBONIOSA-N 1 1 290.382 3.151 20 30 CGEDMO COC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1ccccc1 ZINC000866295919 633068369 /nfs/dbraw/zinc/06/83/69/633068369.db2.gz DYZMXEURUDAWDF-DYVFJYSZSA-N 1 1 296.370 3.302 20 30 CGEDMO C=C(C)C[N@H+](CC)C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000823382387 633096254 /nfs/dbraw/zinc/09/62/54/633096254.db2.gz JMZQTUCYRKDJKC-RHSMWYFYSA-N 1 1 294.439 3.141 20 30 CGEDMO Cc1ccc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)o1 ZINC000866477632 633150369 /nfs/dbraw/zinc/15/03/69/633150369.db2.gz CFELIKDUICLNLQ-NSHDSACASA-N 1 1 256.305 3.016 20 30 CGEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccncc2F)c1 ZINC000823887118 633165261 /nfs/dbraw/zinc/16/52/61/633165261.db2.gz BGUDXPXLGKSOHA-HNNXBMFYSA-N 1 1 299.349 3.191 20 30 CGEDMO CCCCC[C@@H]([NH2+]C1CCC(C)(C#N)CC1)C(=O)OC ZINC000824276331 633222046 /nfs/dbraw/zinc/22/20/46/633222046.db2.gz IPZJMNIAFFIUOI-NPCAHTBFSA-N 1 1 280.412 3.170 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000876567751 634859088 /nfs/dbraw/zinc/85/90/88/634859088.db2.gz DNDURUWUPPXBHP-UHFFFAOYSA-N 1 1 290.373 3.140 20 30 CGEDMO C#Cc1cccc(C[NH2+]Cc2ncc(CSC)s2)c1 ZINC000825226151 633337339 /nfs/dbraw/zinc/33/73/39/633337339.db2.gz DJZKWHABXKFWJZ-UHFFFAOYSA-N 1 1 288.441 3.277 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](CF)C2)c(Br)c1 ZINC000880299292 635970088 /nfs/dbraw/zinc/97/00/88/635970088.db2.gz RMRIDZRYKTZOBH-LLVKDONJSA-N 1 1 297.171 3.112 20 30 CGEDMO C#CC1CCN(c2[nH+]ccc3ccc(C)cc32)CC1 ZINC000826710609 633427568 /nfs/dbraw/zinc/42/75/68/633427568.db2.gz NLFKAWYWCWRUFX-UHFFFAOYSA-N 1 1 250.345 3.393 20 30 CGEDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1F ZINC000826861996 633438032 /nfs/dbraw/zinc/43/80/32/633438032.db2.gz QPLQONPVNNTLIL-ZDUSSCGKSA-N 1 1 275.371 3.017 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2ccc(/C=C\C(=O)OC)o2)C1 ZINC000826946513 633445307 /nfs/dbraw/zinc/44/53/07/633445307.db2.gz IOMUPOLPRLGTCO-CMUBDUJZSA-N 1 1 289.375 3.254 20 30 CGEDMO C=C(C)[C@H](CC(=O)OCc1c(C)cc(C)[nH+]c1C)OCC ZINC000869451093 633446549 /nfs/dbraw/zinc/44/65/49/633446549.db2.gz WRDHQAADEFDQFV-INIZCTEOSA-N 1 1 291.391 3.421 20 30 CGEDMO Cc1noc(C)c1C[N@@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000122878217 633524509 /nfs/dbraw/zinc/52/45/09/633524509.db2.gz UEASDCATKWPFPK-GFCCVEGCSA-N 1 1 269.348 3.356 20 30 CGEDMO Cc1noc(C)c1C[N@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000122878217 633524514 /nfs/dbraw/zinc/52/45/14/633524514.db2.gz UEASDCATKWPFPK-GFCCVEGCSA-N 1 1 269.348 3.356 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC[NH2+][C@H](c2ccccc2C)C1 ZINC000827916779 633534570 /nfs/dbraw/zinc/53/45/70/633534570.db2.gz NECZPPKIXINJKB-RDJZCZTQSA-N 1 1 286.419 3.070 20 30 CGEDMO C#CC[N@H+](C[C@@]1(C)CC1(Cl)Cl)C1CCCC1 ZINC000828035803 633551569 /nfs/dbraw/zinc/55/15/69/633551569.db2.gz BJWHBPIMRLOICS-GFCCVEGCSA-N 1 1 260.208 3.448 20 30 CGEDMO COc1cc([C@H](C)[NH2+]CC2(C#N)CCC2)ccc1F ZINC000828691416 633641929 /nfs/dbraw/zinc/64/19/29/633641929.db2.gz CEDMPUBUBMBQHS-NSHDSACASA-N 1 1 262.328 3.179 20 30 CGEDMO C=CCC1(C(=O)NCC[N@@H+]2CCC[C@@H]2C)CCCCC1 ZINC000828840617 633660230 /nfs/dbraw/zinc/66/02/30/633660230.db2.gz UMCLZFYBRMQWBS-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO N#CC1(C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)CCCC1 ZINC000888570830 633774507 /nfs/dbraw/zinc/77/45/07/633774507.db2.gz RVRZCTRGIYSNTE-UHFFFAOYSA-N 1 1 298.390 3.094 20 30 CGEDMO C#CC[C@H]1CCC[N@H+]([C@H](C)c2nc(CCCC)no2)C1 ZINC000829775218 633780820 /nfs/dbraw/zinc/78/08/20/633780820.db2.gz ZKKQLGJENHGBJH-KGLIPLIRSA-N 1 1 275.396 3.209 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cnc3c(cnn3C(C)C)c2)C1 ZINC000829778499 633782072 /nfs/dbraw/zinc/78/20/72/633782072.db2.gz CYTKXAWOKDWUBB-HNNXBMFYSA-N 1 1 296.418 3.248 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000829778447 633782930 /nfs/dbraw/zinc/78/29/30/633782930.db2.gz CFTFWALUWXAOKE-DLBZAZTESA-N 1 1 298.430 3.366 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+]([C@@H](C)c2cn(-c3ccccc3)nn2)C1 ZINC000829789410 633785264 /nfs/dbraw/zinc/78/52/64/633785264.db2.gz VGMQNQSETLDDHW-JKSUJKDBSA-N 1 1 294.402 3.064 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](CCC(=O)c2ccc(C)cc2)C1 ZINC000829810349 633792767 /nfs/dbraw/zinc/79/27/67/633792767.db2.gz ONUFQXDQGJBYCB-MRXNPFEDSA-N 1 1 269.388 3.303 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000829811158 633793680 /nfs/dbraw/zinc/79/36/80/633793680.db2.gz YTFFSVQPQUWKKM-HZPDHXFCSA-N 1 1 261.409 3.214 20 30 CGEDMO N#Cc1ccc(CO[NH+]=C(N)C2CCC2)c(C(F)(F)F)c1 ZINC000871767602 633858383 /nfs/dbraw/zinc/85/83/83/633858383.db2.gz OUVVWDICZMKRSH-UHFFFAOYSA-N 1 1 297.280 3.376 20 30 CGEDMO Cc1nccnc1[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000872133138 634055302 /nfs/dbraw/zinc/05/53/02/634055302.db2.gz KNVUURLFYBXCLX-ZYHUDNBSSA-N 1 1 284.338 3.208 20 30 CGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(Cc2cccc(C)c2)no1 ZINC000872173560 634077302 /nfs/dbraw/zinc/07/73/02/634077302.db2.gz RNYDOFZTQFJEPL-GFCCVEGCSA-N 1 1 277.755 3.111 20 30 CGEDMO C=C(Cl)C[C@H]([NH3+])c1nc(CC2CCCCC2)no1 ZINC000872176726 634079126 /nfs/dbraw/zinc/07/91/26/634079126.db2.gz URVCZEOQGBPCST-NSHDSACASA-N 1 1 269.776 3.335 20 30 CGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(C2(COC)CCCCC2)no1 ZINC000872183032 634081582 /nfs/dbraw/zinc/08/15/82/634081582.db2.gz YGWRCHCVNTYOAP-LLVKDONJSA-N 1 1 299.802 3.060 20 30 CGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ccc(C)s2)no1 ZINC000872184845 634081748 /nfs/dbraw/zinc/08/17/48/634081748.db2.gz YUKNUTDWSRFAMY-MRVPVSSYSA-N 1 1 269.757 3.249 20 30 CGEDMO Cc1cccc(F)c1N=NC1CCC[N@@H+]2CCSC[C@@H]12 ZINC000872367455 634121769 /nfs/dbraw/zinc/12/17/69/634121769.db2.gz XVLBGNFYYIXKCI-AWEZNQCLSA-N 1 1 293.411 3.113 20 30 CGEDMO Cc1cccc(F)c1N=NC1CCC[N@H+]2CCSC[C@@H]12 ZINC000872367455 634121771 /nfs/dbraw/zinc/12/17/71/634121771.db2.gz XVLBGNFYYIXKCI-AWEZNQCLSA-N 1 1 293.411 3.113 20 30 CGEDMO C[N@@H+](Cc1ccccc1)C1CCC(=NN2CCC2)CC1 ZINC000872397203 634132061 /nfs/dbraw/zinc/13/20/61/634132061.db2.gz KEUYEYLOSUJYJZ-UHFFFAOYSA-N 1 1 271.408 3.123 20 30 CGEDMO C#CCCCCCC=[NH+]n1c(SC)nnc1SC ZINC000872417764 634141301 /nfs/dbraw/zinc/14/13/01/634141301.db2.gz NLCQMADJIOFTHY-UHFFFAOYSA-N 1 1 282.438 3.140 20 30 CGEDMO C=CCOc1cccc(C[NH2+][C@@H](C)c2nccnc2C)c1 ZINC000873188514 634276791 /nfs/dbraw/zinc/27/67/91/634276791.db2.gz JGLKWWVDRVEMTD-AWEZNQCLSA-N 1 1 283.375 3.201 20 30 CGEDMO C[C@@H]1CCC(=NNc2cc[nH+]cc2)c2sccc21 ZINC000834973186 634299863 /nfs/dbraw/zinc/29/98/63/634299863.db2.gz JNUOSYYTPPDTHM-SNVBAGLBSA-N 1 1 257.362 3.279 20 30 CGEDMO Nc1ccc2c(c1)CCCC2=[NH+]OC/C=C/Cl ZINC000834979905 634302231 /nfs/dbraw/zinc/30/22/31/634302231.db2.gz SNIICIOJKYBXHM-DJELVZJCSA-N 1 1 250.729 3.078 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)n1)C1CCCCCCC1 ZINC000876658142 634876861 /nfs/dbraw/zinc/87/68/61/634876861.db2.gz ZUSSUVQKWCUPIN-UHFFFAOYSA-N 1 1 257.381 3.498 20 30 CGEDMO C#CCCCCCC[N@H+]1CCSC2(CCOCC2)C1 ZINC000877401618 635035630 /nfs/dbraw/zinc/03/56/30/635035630.db2.gz JOCQGQPHDJKSPX-UHFFFAOYSA-N 1 1 281.465 3.168 20 30 CGEDMO Cc1cc(N(C)C)ccc1C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000840920120 635082556 /nfs/dbraw/zinc/08/25/56/635082556.db2.gz CBKXAPWPSBLCQL-CYBMUJFWSA-N 1 1 271.408 3.185 20 30 CGEDMO Cc1cc(N(C)C)ccc1C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000840920120 635082557 /nfs/dbraw/zinc/08/25/57/635082557.db2.gz CBKXAPWPSBLCQL-CYBMUJFWSA-N 1 1 271.408 3.185 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@H](CCO)CC1 ZINC000877597076 635106483 /nfs/dbraw/zinc/10/64/83/635106483.db2.gz YTEHTRLLKBZCOB-INIZCTEOSA-N 1 1 251.414 3.055 20 30 CGEDMO C[C@@H](CCC#N)C[NH+]1CC(O)(c2cccc3ccccc32)C1 ZINC000877617558 635114348 /nfs/dbraw/zinc/11/43/48/635114348.db2.gz QYZBAWLHEQRHJA-HNNXBMFYSA-N 1 1 294.398 3.283 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2cc3c(cc[nH]c3=O)o2)C1 ZINC000877623880 635118342 /nfs/dbraw/zinc/11/83/42/635118342.db2.gz CSBFYVUADRZSMW-LBPRGKRZSA-N 1 1 272.348 3.322 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2Cc3cccc(O)c3C2)cc1 ZINC000877703710 635155557 /nfs/dbraw/zinc/15/55/57/635155557.db2.gz QREFTCPNPQQQPW-UHFFFAOYSA-N 1 1 293.366 3.310 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3CC[C@H]4CSC[C@@H]4C3)cc2)CC1 ZINC000877737598 635171676 /nfs/dbraw/zinc/17/16/76/635171676.db2.gz JSISNVQXBQVUIV-HOTGVXAUSA-N 1 1 298.455 3.427 20 30 CGEDMO COc1cc(F)cc(N[NH2+]C(C)=C2CC2(F)F)c1 ZINC000841629776 635201861 /nfs/dbraw/zinc/20/18/61/635201861.db2.gz VDCHKSVYULELOX-NSHDSACASA-N 1 1 258.243 3.277 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H](C(C)(C)O)C2)cc1 ZINC000877796351 635206686 /nfs/dbraw/zinc/20/66/86/635206686.db2.gz LYFPOUNROHBCNX-INIZCTEOSA-N 1 1 289.419 3.234 20 30 CGEDMO COC(=O)c1cccc(N[NH2+]C(C)=C2CC2(F)F)c1F ZINC000841642803 635207436 /nfs/dbraw/zinc/20/74/36/635207436.db2.gz AMFPZLAPLPTVDL-SECBINFHSA-N 1 1 286.253 3.055 20 30 CGEDMO Cc1csc([C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)n1 ZINC000877814356 635222782 /nfs/dbraw/zinc/22/27/82/635222782.db2.gz XFXYOMHEZMWNBT-HNNXBMFYSA-N 1 1 283.400 3.313 20 30 CGEDMO CCC[N@H+](Cc1nocc1C)Cc1ccc(C#N)cc1 ZINC000877960963 635290789 /nfs/dbraw/zinc/29/07/89/635290789.db2.gz BMDUJBJOPZFEKW-UHFFFAOYSA-N 1 1 269.348 3.267 20 30 CGEDMO CCC[N@@H+](Cc1nocc1C)Cc1ccc(C#N)cc1 ZINC000877960963 635290794 /nfs/dbraw/zinc/29/07/94/635290794.db2.gz BMDUJBJOPZFEKW-UHFFFAOYSA-N 1 1 269.348 3.267 20 30 CGEDMO CC[N@@H+](C[C@H]1C[C@@H](OC)C1)[C@H](C)c1ccc(C#N)cc1 ZINC000877990243 635308559 /nfs/dbraw/zinc/30/85/59/635308559.db2.gz BXLYRKUTMBJMGW-UNEWFSDZSA-N 1 1 272.392 3.366 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@@H+]1C[C@H](C)[C@H](C)C1)c1ccccc1 ZINC000878151541 635382135 /nfs/dbraw/zinc/38/21/35/635382135.db2.gz XPEADMDDVMMEDB-RVKKMQEKSA-N 1 1 284.403 3.015 20 30 CGEDMO C#CCCCCC[N@@H+]1CCO[C@H](c2cccc(OC)c2)C1 ZINC000878197674 635408378 /nfs/dbraw/zinc/40/83/78/635408378.db2.gz JSVRTFWBSLVLCF-SFHVURJKSA-N 1 1 287.403 3.262 20 30 CGEDMO C#CCCCCC[N@H+]1CCO[C@H](c2cccc(OC)c2)C1 ZINC000878197674 635408386 /nfs/dbraw/zinc/40/83/86/635408386.db2.gz JSVRTFWBSLVLCF-SFHVURJKSA-N 1 1 287.403 3.262 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000842629768 635420248 /nfs/dbraw/zinc/42/02/48/635420248.db2.gz RBWAEFSHEYFCSI-CQSZACIVSA-N 1 1 280.371 3.176 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@@H](C)[C@H](C)C1)c1ccccc1 ZINC000878328804 635462717 /nfs/dbraw/zinc/46/27/17/635462717.db2.gz OWBPXCOSZLYGEY-GPMSIDNRSA-N 1 1 298.430 3.405 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1oc(-c2ccccc2)nc1C ZINC000878516223 635540662 /nfs/dbraw/zinc/54/06/62/635540662.db2.gz BQPPYNPSJHCAHS-LBPRGKRZSA-N 1 1 254.333 3.104 20 30 CGEDMO C=CC[N@@H+](C[C@H]1CCC2(CCOCC2)O1)C(C)(C)C ZINC000878949836 635664103 /nfs/dbraw/zinc/66/41/03/635664103.db2.gz LCUGCZDWAFXLCW-CQSZACIVSA-N 1 1 267.413 3.001 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2c(Cl)nc3ccccn32)C1 ZINC000843423960 635668589 /nfs/dbraw/zinc/66/85/89/635668589.db2.gz MTQVJIAGNNTZOU-ZDUSSCGKSA-N 1 1 287.794 3.223 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2nccc3ccccc32)C1 ZINC000843423922 635668655 /nfs/dbraw/zinc/66/86/55/635668655.db2.gz LSIVRVTXYPGBIB-HNNXBMFYSA-N 1 1 264.372 3.470 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc(CC=C)c(O)c(OC)c2)C1 ZINC000843424609 635669806 /nfs/dbraw/zinc/66/98/06/635669806.db2.gz WWUYERAKLZNOJB-OAHLLOKOSA-N 1 1 299.414 3.365 20 30 CGEDMO C#CC1CC[NH+](Cc2nc3ccc(Cl)cc3n2C)CC1 ZINC000843426986 635671636 /nfs/dbraw/zinc/67/16/36/635671636.db2.gz PTJDTDOYFXANJE-UHFFFAOYSA-N 1 1 287.794 3.072 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CC3(C[C@@H]2C)CCOCC3)cc1 ZINC000843432457 635674791 /nfs/dbraw/zinc/67/47/91/635674791.db2.gz WXKRSTPCTUHYCS-INIZCTEOSA-N 1 1 299.414 3.090 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1oc(-c2ccccc2)nc1C ZINC000878997825 635676522 /nfs/dbraw/zinc/67/65/22/635676522.db2.gz HQHQPMACUBVQHZ-UHFFFAOYSA-N 1 1 298.386 3.122 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000879039855 635689138 /nfs/dbraw/zinc/68/91/38/635689138.db2.gz PQFZIBAKIVBJNP-CABCVRRESA-N 1 1 278.440 3.062 20 30 CGEDMO C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCCC[C@H]1O ZINC000879141950 635712447 /nfs/dbraw/zinc/71/24/47/635712447.db2.gz FSEDYJLOEJCICF-IAGOWNOFSA-N 1 1 286.419 3.223 20 30 CGEDMO C[N@H+](C[C@H](O)c1ccc(Cl)c(F)c1)[C@@H]1CCC[C@@H]1C#N ZINC000879309327 635752161 /nfs/dbraw/zinc/75/21/61/635752161.db2.gz GIRHOSSUOIEYST-DFBGVHRSSA-N 1 1 296.773 3.137 20 30 CGEDMO C[N@@H+](C[C@H](O)c1ccc(Cl)c(F)c1)[C@@H]1CCC[C@@H]1C#N ZINC000879309327 635752169 /nfs/dbraw/zinc/75/21/69/635752169.db2.gz GIRHOSSUOIEYST-DFBGVHRSSA-N 1 1 296.773 3.137 20 30 CGEDMO CC(C)(C#N)CCC[N@@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879690182 635836609 /nfs/dbraw/zinc/83/66/09/635836609.db2.gz JTNGLTDHKXMALR-INIZCTEOSA-N 1 1 298.434 3.196 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000844371998 635882142 /nfs/dbraw/zinc/88/21/42/635882142.db2.gz SDWLNTWLVNBFCD-HNNXBMFYSA-N 1 1 265.784 3.200 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000844399648 635890242 /nfs/dbraw/zinc/89/02/42/635890242.db2.gz FKFJIYLCTVWKPX-GJZGRUSLSA-N 1 1 294.439 3.025 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000879961256 635890290 /nfs/dbraw/zinc/89/02/90/635890290.db2.gz CHLWGJKIPLRYDK-XJKSGUPXSA-N 1 1 272.392 3.102 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@]3(CCc4ccccc43)C2)C1 ZINC000879996617 635893139 /nfs/dbraw/zinc/89/31/39/635893139.db2.gz KCGIBACLRBYSNV-QGPMSJSTSA-N 1 1 266.388 3.269 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000880001788 635894873 /nfs/dbraw/zinc/89/48/73/635894873.db2.gz BHPIGGPXXUJXPJ-CQSZACIVSA-N 1 1 298.308 3.341 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844439458 635901953 /nfs/dbraw/zinc/90/19/53/635901953.db2.gz IBMYFQMAIXMBBT-HNNXBMFYSA-N 1 1 292.329 3.188 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CC[C@H](c3nccs3)C2)cc1 ZINC000880317371 635973932 /nfs/dbraw/zinc/97/39/32/635973932.db2.gz NJESGVAXCOSHOJ-AWEZNQCLSA-N 1 1 299.399 3.035 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)cc1)[C@@H](CO)c1ccccc1 ZINC000880459825 636003717 /nfs/dbraw/zinc/00/37/17/636003717.db2.gz ZYQIFLGDGWMSNB-SFHVURJKSA-N 1 1 280.371 3.114 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2cc3cnccc3o2)C1 ZINC000845988162 636126720 /nfs/dbraw/zinc/12/67/20/636126720.db2.gz RGICQSFUFWRGOV-CYBMUJFWSA-N 1 1 254.333 3.063 20 30 CGEDMO C=C(C)CONC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000846539979 636196280 /nfs/dbraw/zinc/19/62/80/636196280.db2.gz RANGNTCIFAWYAL-UHFFFAOYSA-N 1 1 290.407 3.154 20 30 CGEDMO C[N@H+]1CCN(Cc2ccc(C(C)(C)C#N)cc2)CC1(C)C ZINC000846887328 636271604 /nfs/dbraw/zinc/27/16/04/636271604.db2.gz BCVSASIGAMKREN-UHFFFAOYSA-N 1 1 285.435 3.014 20 30 CGEDMO CN1CC[N@H+](Cc2ccc(C(C)(C)C#N)cc2)CC1(C)C ZINC000846887328 636271607 /nfs/dbraw/zinc/27/16/07/636271607.db2.gz BCVSASIGAMKREN-UHFFFAOYSA-N 1 1 285.435 3.014 20 30 CGEDMO CN1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CC1(C)C ZINC000846887328 636271614 /nfs/dbraw/zinc/27/16/14/636271614.db2.gz BCVSASIGAMKREN-UHFFFAOYSA-N 1 1 285.435 3.014 20 30 CGEDMO CCCCCCCC[N@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000846930313 636286587 /nfs/dbraw/zinc/28/65/87/636286587.db2.gz AQEUOLKWXOZQTI-QGZVFWFLSA-N 1 1 282.472 3.144 20 30 CGEDMO C[N@@H+](CCC(C)(C)C1CC1)C[C@@H](O)c1cccc(C#N)c1 ZINC000847009930 636308808 /nfs/dbraw/zinc/30/88/08/636308808.db2.gz REXFYABUGFXEHS-QGZVFWFLSA-N 1 1 286.419 3.350 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000847021803 636313858 /nfs/dbraw/zinc/31/38/58/636313858.db2.gz PPTGEHYWDNNPTM-ABAIWWIYSA-N 1 1 298.213 3.372 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(OC)cc2Cl)C1 ZINC000847023142 636315589 /nfs/dbraw/zinc/31/55/89/636315589.db2.gz ZFSHUXVCPHCESS-GFCCVEGCSA-N 1 1 263.768 3.194 20 30 CGEDMO Cc1cccc(N=NC2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000848398976 636566662 /nfs/dbraw/zinc/56/66/62/636566662.db2.gz HGDWMXUVKLQZKW-MRXNPFEDSA-N 1 1 257.381 3.411 20 30 CGEDMO Fc1cccc(F)c1N=NC1CCC[N@H+]2CCCC[C@H]12 ZINC000848405867 636568776 /nfs/dbraw/zinc/56/87/76/636568776.db2.gz BNZZUYZRSLTNPN-CQSZACIVSA-N 1 1 279.334 3.381 20 30 CGEDMO C=CCC[C@H]([NH2+]Cc1nc2ccc(C)cc2[nH]1)[C@@H]1CCCO1 ZINC000883194376 636578047 /nfs/dbraw/zinc/57/80/47/636578047.db2.gz UQJCYRQELRDSTJ-RDJZCZTQSA-N 1 1 299.418 3.475 20 30 CGEDMO C#CCCOc1ccc(CNc2cccc(C)[nH+]2)cc1 ZINC000131201766 636582446 /nfs/dbraw/zinc/58/24/46/636582446.db2.gz JWGVSLZINKLUEK-UHFFFAOYSA-N 1 1 266.344 3.404 20 30 CGEDMO C[C@@H]1CCC[C@H](c2noc([C@@H]([NH3+])CCCCC#N)n2)C1 ZINC000848620617 636620059 /nfs/dbraw/zinc/62/00/59/636620059.db2.gz FLHBGNUKJKOXTA-AGIUHOORSA-N 1 1 276.384 3.447 20 30 CGEDMO C[C@@H](c1cccs1)c1noc([C@H]([NH3+])CCCCC#N)n1 ZINC000848623473 636622572 /nfs/dbraw/zinc/62/25/72/636622572.db2.gz JYTKNHHXEIGSOA-WDEREUQCSA-N 1 1 290.392 3.367 20 30 CGEDMO N#CCCCC[C@H]([NH3+])c1nc(-c2ccc(Cl)o2)no1 ZINC000848628116 636623250 /nfs/dbraw/zinc/62/32/50/636623250.db2.gz MVJOEQRQIQQTIG-QMMMGPOBSA-N 1 1 280.715 3.067 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000848923184 636694484 /nfs/dbraw/zinc/69/44/84/636694484.db2.gz ANUHYCKONDMQCU-OAHLLOKOSA-N 1 1 293.370 3.114 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(OC)ccc2OC(F)F)C1 ZINC000848923692 636695440 /nfs/dbraw/zinc/69/54/40/636695440.db2.gz IKKRJWOGWZEJCS-GFCCVEGCSA-N 1 1 295.329 3.142 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(OC)ccc2OC(F)F)C1 ZINC000848923692 636695444 /nfs/dbraw/zinc/69/54/44/636695444.db2.gz IKKRJWOGWZEJCS-GFCCVEGCSA-N 1 1 295.329 3.142 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000848924343 636696084 /nfs/dbraw/zinc/69/60/84/636696084.db2.gz QKVCRTHNEOKKRP-LBPRGKRZSA-N 1 1 257.308 3.417 20 30 CGEDMO C#CC1([NH2+]Cc2csc(-c3ccccn3)n2)CCCC1 ZINC000883363137 636703896 /nfs/dbraw/zinc/70/38/96/636703896.db2.gz WLIPFWBDOBYITO-UHFFFAOYSA-N 1 1 283.400 3.241 20 30 CGEDMO C=C[C@](C)(CC)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000134952026 637054772 /nfs/dbraw/zinc/05/47/72/637054772.db2.gz VRWKKEVQODYIMI-MRXNPFEDSA-N 1 1 284.363 3.117 20 30 CGEDMO C[C@@H]1C[C@H](C)[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000134970890 637059583 /nfs/dbraw/zinc/05/95/83/637059583.db2.gz BSESSDXEVNDRRY-KGLIPLIRSA-N 1 1 258.365 3.057 20 30 CGEDMO CC[N@@H+](C[C@H](O)CC1(C#N)CCC1)C1CCCCC1 ZINC000885955850 637329489 /nfs/dbraw/zinc/32/94/89/637329489.db2.gz CLCKAAFSMKLDPS-OAHLLOKOSA-N 1 1 264.413 3.086 20 30 CGEDMO N#CC1(C[C@H](O)C[N@@H+](CCc2ccccc2)C2CC2)CCC1 ZINC000885967616 637336841 /nfs/dbraw/zinc/33/68/41/637336841.db2.gz UOSRZYFCGBBSPJ-SFHVURJKSA-N 1 1 298.430 3.138 20 30 CGEDMO CC(C)[N@@H+](C[C@H](O)CC1(C#N)CCC1)C1CCCC1 ZINC000886062915 637396201 /nfs/dbraw/zinc/39/62/01/637396201.db2.gz YZJDLXRVXAMENA-OAHLLOKOSA-N 1 1 264.413 3.084 20 30 CGEDMO CCC1(CC)C[N@@H+](C[C@H](O)CC2(C#N)CCC2)CCS1 ZINC000886136063 637429685 /nfs/dbraw/zinc/42/96/85/637429685.db2.gz FCMUPRIVYRUAPA-CQSZACIVSA-N 1 1 296.480 3.039 20 30 CGEDMO C=CCOc1cccc(C[NH2+]Cc2cc(C3CC3)no2)c1 ZINC000886272703 637477886 /nfs/dbraw/zinc/47/78/86/637477886.db2.gz ZGYPYAMPMDZVBW-UHFFFAOYSA-N 1 1 284.359 3.407 20 30 CGEDMO C[C@]1(C2CCCCC2)CC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886312289 637495284 /nfs/dbraw/zinc/49/52/84/637495284.db2.gz ZLSLRNANXFBMMU-IAGOWNOFSA-N 1 1 290.451 3.476 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cc(-c3ccc(OC)cc3)no2)C1 ZINC000886353600 637509450 /nfs/dbraw/zinc/50/94/50/637509450.db2.gz MCOYMJNAMXMKFC-AWEZNQCLSA-N 1 1 296.370 3.195 20 30 CGEDMO C#CC[C@@H]1CC[N@H+]([C@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000886353184 637509792 /nfs/dbraw/zinc/50/97/92/637509792.db2.gz CZZFCNDJQGKYBI-HUUCEWRRSA-N 1 1 295.386 3.451 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ncc(-c3ccc(OC)cc3)o2)C1 ZINC000886356262 637510564 /nfs/dbraw/zinc/51/05/64/637510564.db2.gz XEEKFWSHVRUGQX-AWEZNQCLSA-N 1 1 296.370 3.195 20 30 CGEDMO C#CC[C@@H]1CC[N@H+]([C@@H](C)c2nc(-c3cccs3)no2)C1 ZINC000886356321 637511530 /nfs/dbraw/zinc/51/15/30/637511530.db2.gz XZIIEXDISFFMFH-NWDGAFQWSA-N 1 1 287.388 3.204 20 30 CGEDMO C#CC[C@H]1CC[N@H+]([C@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000886356384 637511738 /nfs/dbraw/zinc/51/17/38/637511738.db2.gz YVOUYBXSIHLFAQ-CABCVRRESA-N 1 1 295.386 3.451 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000886361690 637512526 /nfs/dbraw/zinc/51/25/26/637512526.db2.gz RPBKZRBASDYBRY-CYBMUJFWSA-N 1 1 290.794 3.014 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2nc(-c3ccc(F)c(C)c3)no2)C1 ZINC000886360475 637512880 /nfs/dbraw/zinc/51/28/80/637512880.db2.gz WRNOTGGCVOJTNG-CYBMUJFWSA-N 1 1 299.349 3.029 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(=O)oc3cc(CC)ccc23)C1 ZINC000886360042 637513082 /nfs/dbraw/zinc/51/30/82/637513082.db2.gz OFDFKYFJBFLWDV-OAHLLOKOSA-N 1 1 295.382 3.201 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC000886364004 637513891 /nfs/dbraw/zinc/51/38/91/637513891.db2.gz LXSJSPVILCJDIK-SNVBAGLBSA-N 1 1 269.175 3.234 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC000886364004 637513894 /nfs/dbraw/zinc/51/38/94/637513894.db2.gz LXSJSPVILCJDIK-SNVBAGLBSA-N 1 1 269.175 3.234 20 30 CGEDMO C#CCOCC[N@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000851855746 637523242 /nfs/dbraw/zinc/52/32/42/637523242.db2.gz VRBZOJOYTRCYLU-HNNXBMFYSA-N 1 1 284.359 3.005 20 30 CGEDMO Cc1ccccc1[C@@H](CO)[N@@H+](C)CC#Cc1ccccc1 ZINC000886438799 637530670 /nfs/dbraw/zinc/53/06/70/637530670.db2.gz IWWGOEQZHHBCRH-LJQANCHMSA-N 1 1 279.383 3.012 20 30 CGEDMO Cc1ccccc1[C@H](CO)[N@@H+](C)CCCC(C)(C)C#N ZINC000886433921 637530744 /nfs/dbraw/zinc/53/07/44/637530744.db2.gz WZXPETJIALEVJQ-INIZCTEOSA-N 1 1 274.408 3.290 20 30 CGEDMO CO[C@H]1CC[C@H]([N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000851885354 637530859 /nfs/dbraw/zinc/53/08/59/637530859.db2.gz GCKMEYIGTFKLLH-ROUUACIJSA-N 1 1 282.387 3.215 20 30 CGEDMO N#CCC[C@H](C#N)C[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886611249 637604978 /nfs/dbraw/zinc/60/49/78/637604978.db2.gz XHJIRXIFSIIKOG-AGIUHOORSA-N 1 1 285.313 3.094 20 30 CGEDMO N#CCC[C@H](C#N)C[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886611249 637604985 /nfs/dbraw/zinc/60/49/85/637604985.db2.gz XHJIRXIFSIIKOG-AGIUHOORSA-N 1 1 285.313 3.094 20 30 CGEDMO CC(C)CCC[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852330126 637636349 /nfs/dbraw/zinc/63/63/49/637636349.db2.gz ACCIXODWYUVIHS-QGZVFWFLSA-N 1 1 271.408 3.375 20 30 CGEDMO CC(C)CCC[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852330126 637636352 /nfs/dbraw/zinc/63/63/52/637636352.db2.gz ACCIXODWYUVIHS-QGZVFWFLSA-N 1 1 271.408 3.375 20 30 CGEDMO CCCCC[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852328666 637636558 /nfs/dbraw/zinc/63/65/58/637636558.db2.gz KINOBHSGYHKXPX-MRXNPFEDSA-N 1 1 257.381 3.129 20 30 CGEDMO CCCCC[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852328666 637636563 /nfs/dbraw/zinc/63/65/63/637636563.db2.gz KINOBHSGYHKXPX-MRXNPFEDSA-N 1 1 257.381 3.129 20 30 CGEDMO C=CC[N@@H+](Cc1cncc(C(F)(F)F)c1)[C@@H](C)COC ZINC000852356757 637641859 /nfs/dbraw/zinc/64/18/59/637641859.db2.gz NFQXTHAJYHGRFO-NSHDSACASA-N 1 1 288.313 3.123 20 30 CGEDMO C=CC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H](C)COC ZINC000852358653 637643475 /nfs/dbraw/zinc/64/34/75/637643475.db2.gz XBXISARLGKDRFQ-NSHDSACASA-N 1 1 298.770 3.271 20 30 CGEDMO C=CC[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H](C)COC ZINC000852358653 637643477 /nfs/dbraw/zinc/64/34/77/637643477.db2.gz XBXISARLGKDRFQ-NSHDSACASA-N 1 1 298.770 3.271 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2ccc3nonc3c2)C1 ZINC000852410195 637647895 /nfs/dbraw/zinc/64/78/95/637647895.db2.gz JMPODIJIFSHWQT-LBPRGKRZSA-N 1 1 257.337 3.011 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@@H](c3ncccn3)C2)cc1C#N ZINC000886690226 637654973 /nfs/dbraw/zinc/65/49/73/637654973.db2.gz RRZCAKPYBPVJLF-MRXNPFEDSA-N 1 1 292.386 3.036 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@@H](Cc2nc(C)cs2)C1 ZINC000886691693 637656377 /nfs/dbraw/zinc/65/63/77/637656377.db2.gz KPBKTUPATKUUGX-AWEZNQCLSA-N 1 1 262.422 3.119 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@H](Cc2nc(C)cs2)C1 ZINC000886694556 637660058 /nfs/dbraw/zinc/66/00/58/637660058.db2.gz YFTYSHXYCSMYHC-CABCVRRESA-N 1 1 294.464 3.033 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000852519010 637672374 /nfs/dbraw/zinc/67/23/74/637672374.db2.gz SHRQYDAPGQDOGN-OAHLLOKOSA-N 1 1 261.340 3.385 20 30 CGEDMO C=CC[N@@H+](C[C@@H](O)c1cccc(F)c1)C(C)(C)C ZINC000852553751 637677092 /nfs/dbraw/zinc/67/70/92/637677092.db2.gz VNKVINQMQWDDAT-CQSZACIVSA-N 1 1 251.345 3.146 20 30 CGEDMO C=CCC1(O)CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000886774170 637683723 /nfs/dbraw/zinc/68/37/23/637683723.db2.gz JCZOYPMYTGXGBF-UHFFFAOYSA-N 1 1 289.806 3.095 20 30 CGEDMO C=C(Br)C[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000852595893 637685690 /nfs/dbraw/zinc/68/56/90/637685690.db2.gz JKCMUBYXKXVCMX-QWHCGFSZSA-N 1 1 288.229 3.176 20 30 CGEDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OCC#N)cc1 ZINC000852700957 637698447 /nfs/dbraw/zinc/69/84/47/637698447.db2.gz LHFFTBSQWYZLEL-VHRNVKJDSA-N 1 1 270.376 3.352 20 30 CGEDMO Clc1cccc(C#CC[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000886816793 637704333 /nfs/dbraw/zinc/70/43/33/637704333.db2.gz YOXMXMPNSUSHOH-WBVHZDCISA-N 1 1 289.806 3.192 20 30 CGEDMO C#CCC[N@@H+](CCOC)Cc1ncc(-c2ccc(C)cc2)o1 ZINC000852751431 637706788 /nfs/dbraw/zinc/70/67/88/637706788.db2.gz BYVHTKBIQGTBTQ-UHFFFAOYSA-N 1 1 298.386 3.122 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1ncc(-c2ccc(C)cc2)o1 ZINC000852751431 637706791 /nfs/dbraw/zinc/70/67/91/637706791.db2.gz BYVHTKBIQGTBTQ-UHFFFAOYSA-N 1 1 298.386 3.122 20 30 CGEDMO C#CCC[N@@H+](CCOC)Cc1coc(-c2ccc(C)cc2)n1 ZINC000852752829 637706892 /nfs/dbraw/zinc/70/68/92/637706892.db2.gz NNJSLNCIAMXZCL-UHFFFAOYSA-N 1 1 298.386 3.122 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1coc(-c2ccc(C)cc2)n1 ZINC000852752829 637706896 /nfs/dbraw/zinc/70/68/96/637706896.db2.gz NNJSLNCIAMXZCL-UHFFFAOYSA-N 1 1 298.386 3.122 20 30 CGEDMO C#Cc1cccnc1N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000853444229 637845741 /nfs/dbraw/zinc/84/57/41/637845741.db2.gz FQBYFDKCDRZEGO-MAUKXSAKSA-N 1 1 291.398 3.138 20 30 CGEDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000853525339 637861780 /nfs/dbraw/zinc/86/17/80/637861780.db2.gz CZVCORHYRNRKLP-CQSZACIVSA-N 1 1 258.365 3.135 20 30 CGEDMO C=CC[N@@H+](Cn1cnc2cc(C)c(C)cc21)[C@@H](C)COC ZINC000853533046 637862450 /nfs/dbraw/zinc/86/24/50/637862450.db2.gz SRHTWZJCHHUHAG-HNNXBMFYSA-N 1 1 287.407 3.134 20 30 CGEDMO C#CCCCCCC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000855810220 638256796 /nfs/dbraw/zinc/25/67/96/638256796.db2.gz VMKPUCVHXAGMFP-INIZCTEOSA-N 1 1 290.451 3.093 20 30 CGEDMO C#CCCOc1ccc(C[NH2+]Cc2cc(C(C)C)no2)cc1 ZINC000114510403 638374625 /nfs/dbraw/zinc/37/46/25/638374625.db2.gz GWSBGWUJATYMJV-UHFFFAOYSA-N 1 1 298.386 3.490 20 30 CGEDMO CC(C)n1cc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)nn1 ZINC000925185264 638469137 /nfs/dbraw/zinc/46/91/37/638469137.db2.gz JNTHDSPQLHUXRQ-CHWSQXEVSA-N 1 1 283.379 3.142 20 30 CGEDMO C=CCN(C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)(C)C ZINC000857654280 638546354 /nfs/dbraw/zinc/54/63/54/638546354.db2.gz PVBOKTYCGSVMFM-MRXNPFEDSA-N 1 1 284.419 3.012 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)C1 ZINC000858051152 638621376 /nfs/dbraw/zinc/62/13/76/638621376.db2.gz INYAMVXURGLFMW-XYPHTWIQSA-N 1 1 297.402 3.104 20 30 CGEDMO COCCc1cc[nH+]c(N[C@H](C)CC(C)(C)C#N)c1 ZINC000926407993 638768576 /nfs/dbraw/zinc/76/85/76/638768576.db2.gz GOLDDISMSXBDDO-GFCCVEGCSA-N 1 1 261.369 3.011 20 30 CGEDMO CCC[N@H+](CC)C[C@H](C)N[C@@H](C)CC(C)(C)C#N ZINC000926456698 638773128 /nfs/dbraw/zinc/77/31/28/638773128.db2.gz NXJUQIOHABKQDN-KBPBESRZSA-N 1 1 253.434 3.025 20 30 CGEDMO CCC[N@@H+](CC)C[C@H](C)N[C@@H](C)CC(C)(C)C#N ZINC000926456698 638773131 /nfs/dbraw/zinc/77/31/31/638773131.db2.gz NXJUQIOHABKQDN-KBPBESRZSA-N 1 1 253.434 3.025 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](CC)CO ZINC000929131146 638901360 /nfs/dbraw/zinc/90/13/60/638901360.db2.gz MGLPUACHQMWMJK-JTQLQIEISA-N 1 1 259.802 3.160 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCC[C@@H]2c2cccs2)c1 ZINC000929131231 638901527 /nfs/dbraw/zinc/90/15/27/638901527.db2.gz PAWBURXIZSOEMP-CQSZACIVSA-N 1 1 269.373 3.352 20 30 CGEDMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cncc(C#N)c2)cc1 ZINC000929220627 638910368 /nfs/dbraw/zinc/91/03/68/638910368.db2.gz YIYRBDHBDARGGE-SFHVURJKSA-N 1 1 293.370 3.299 20 30 CGEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cncc(C#N)c2)cc1 ZINC000929220627 638910370 /nfs/dbraw/zinc/91/03/70/638910370.db2.gz YIYRBDHBDARGGE-SFHVURJKSA-N 1 1 293.370 3.299 20 30 CGEDMO CC[N@@H+](CCc1ccccc1)Cc1cncc(C#N)c1 ZINC000929282438 638915231 /nfs/dbraw/zinc/91/52/31/638915231.db2.gz JZFLEGUNURCRRC-UHFFFAOYSA-N 1 1 265.360 3.018 20 30 CGEDMO C#CC[N@H+](Cc1cncc(C#N)c1)[C@H]1CCc2ccccc21 ZINC000929334648 638919433 /nfs/dbraw/zinc/91/94/33/638919433.db2.gz PNCLASCFKNKVGR-IBGZPJMESA-N 1 1 287.366 3.076 20 30 CGEDMO C#CC[N@@H+](Cc1cncc(C#N)c1)[C@H]1CCc2ccccc21 ZINC000929334648 638919435 /nfs/dbraw/zinc/91/94/35/638919435.db2.gz PNCLASCFKNKVGR-IBGZPJMESA-N 1 1 287.366 3.076 20 30 CGEDMO C[C@H]1SCC[N@@H+](CC2CCC(C#N)CC2)[C@@H]1C ZINC000929675018 638939975 /nfs/dbraw/zinc/93/99/75/638939975.db2.gz ZWDAUXCETQWECF-IWMBGFJWSA-N 1 1 252.427 3.142 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](CC2CCC(C#N)CC2)CCS1 ZINC000929746644 638946324 /nfs/dbraw/zinc/94/63/24/638946324.db2.gz FLOVNCGAJYXWTD-YMAMQOFZSA-N 1 1 266.454 3.390 20 30 CGEDMO C[C@@H]1C[C@H](N(C)Cc2cc(Cl)cc(C#N)c2)CC[N@H+]1C ZINC000929783698 638951071 /nfs/dbraw/zinc/95/10/71/638951071.db2.gz YPSQOIYJVDUMSL-MLGOLLRUSA-N 1 1 291.826 3.126 20 30 CGEDMO C[C@@H]1C[C@H]([N@H+](C)Cc2cc(Cl)cc(C#N)c2)CCN1C ZINC000929783698 638951072 /nfs/dbraw/zinc/95/10/72/638951072.db2.gz YPSQOIYJVDUMSL-MLGOLLRUSA-N 1 1 291.826 3.126 20 30 CGEDMO C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(Cl)cc(C#N)c2)CCN1C ZINC000929783698 638951075 /nfs/dbraw/zinc/95/10/75/638951075.db2.gz YPSQOIYJVDUMSL-MLGOLLRUSA-N 1 1 291.826 3.126 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000929827709 638954770 /nfs/dbraw/zinc/95/47/70/638954770.db2.gz VQPNNVIKYNODCU-AEFFLSMTSA-N 1 1 284.403 3.176 20 30 CGEDMO C[C@H](C#N)C[N@H+](C[C@@H]1CCCC2(CCC2)O1)C1CC1 ZINC000930086590 638973087 /nfs/dbraw/zinc/97/30/87/638973087.db2.gz NHPTVKTWIPTEOM-HIFRSBDPSA-N 1 1 262.397 3.102 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C[C@@H]1CCCC2(CCC2)O1)C1CC1 ZINC000930086590 638973089 /nfs/dbraw/zinc/97/30/89/638973089.db2.gz NHPTVKTWIPTEOM-HIFRSBDPSA-N 1 1 262.397 3.102 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCCSCC2)c1 ZINC000930118103 638975937 /nfs/dbraw/zinc/97/59/37/638975937.db2.gz CEKYKGXYHXHARV-UHFFFAOYSA-N 1 1 266.797 3.151 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCC[C@@H]2c2ncc[nH]2)CCC1 ZINC000930162664 638978202 /nfs/dbraw/zinc/97/82/02/638978202.db2.gz KHJLSPRJZVCWKC-CQSZACIVSA-N 1 1 272.396 3.411 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000930265272 638986959 /nfs/dbraw/zinc/98/69/59/638986959.db2.gz UUJCNOXWUZSQNI-UTUOFQBUSA-N 1 1 263.303 3.137 20 30 CGEDMO N#CC1CCC(C[N@H+]2CC[C@@H](c3ccncc3)C2)CC1 ZINC000930516098 639016318 /nfs/dbraw/zinc/01/63/18/639016318.db2.gz ITKYPGNJKZKBNU-VMBOVVBDSA-N 1 1 269.392 3.201 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCN(C2CCC2)C[C@@H](C)C1 ZINC000930560662 639025258 /nfs/dbraw/zinc/02/52/58/639025258.db2.gz UAKYMNHZCWQXDO-KRWDZBQOSA-N 1 1 276.468 3.376 20 30 CGEDMO C#CCCCCCCN1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000930560662 639025260 /nfs/dbraw/zinc/02/52/60/639025260.db2.gz UAKYMNHZCWQXDO-KRWDZBQOSA-N 1 1 276.468 3.376 20 30 CGEDMO C#CCCCCCCN1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000930560662 639025263 /nfs/dbraw/zinc/02/52/63/639025263.db2.gz UAKYMNHZCWQXDO-KRWDZBQOSA-N 1 1 276.468 3.376 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000930740900 639062157 /nfs/dbraw/zinc/06/21/57/639062157.db2.gz DBZNTKKUZODNLS-HNNXBMFYSA-N 1 1 297.402 3.399 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000930869095 639081155 /nfs/dbraw/zinc/08/11/55/639081155.db2.gz ZXDIZCZTWPHSAM-OAHLLOKOSA-N 1 1 276.330 3.406 20 30 CGEDMO CC[N@@H+](CC1CCC(C#N)CC1)[C@H](C)C(=O)OC(C)(C)C ZINC000930920326 639086603 /nfs/dbraw/zinc/08/66/03/639086603.db2.gz XEOZLFPHZXYKRF-WLYUNCDWSA-N 1 1 294.439 3.368 20 30 CGEDMO C[C@H](CO)[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000930966976 639091552 /nfs/dbraw/zinc/09/15/52/639091552.db2.gz SFKAENDBIPKUFS-MLGOLLRUSA-N 1 1 292.810 3.195 20 30 CGEDMO CN(CC#Cc1ccccc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000859212989 639110705 /nfs/dbraw/zinc/11/07/05/639110705.db2.gz PZJHBQDEQGDZSH-UHFFFAOYSA-N 1 1 292.426 3.232 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O ZINC000931380523 639144380 /nfs/dbraw/zinc/14/43/80/639144380.db2.gz UGARFQMVCPDCQO-XHSDSOJGSA-N 1 1 263.425 3.051 20 30 CGEDMO C[N@H+](Cc1ccc2cc[nH]c2c1)[C@H]1CCC[C@H]1C#N ZINC000931473580 639157888 /nfs/dbraw/zinc/15/78/88/639157888.db2.gz AMVMREOJEYABNY-HOCLYGCPSA-N 1 1 253.349 3.292 20 30 CGEDMO C[N@@H+](Cc1ccc2cc[nH]c2c1)[C@H]1CCC[C@H]1C#N ZINC000931473580 639157891 /nfs/dbraw/zinc/15/78/91/639157891.db2.gz AMVMREOJEYABNY-HOCLYGCPSA-N 1 1 253.349 3.292 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)c1 ZINC000931547798 639167589 /nfs/dbraw/zinc/16/75/89/639167589.db2.gz HAXIUZSWWNQBDD-KGLIPLIRSA-N 1 1 292.835 3.397 20 30 CGEDMO C[C@]1(C2CCCCC2)CC[N@H+]1Cc1cncc(C#N)c1 ZINC000931572141 639173214 /nfs/dbraw/zinc/17/32/14/639173214.db2.gz XWKSVEDGQXXCPL-QGZVFWFLSA-N 1 1 269.392 3.498 20 30 CGEDMO C#CCCC[N@@H+]1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1 ZINC000931797701 639207757 /nfs/dbraw/zinc/20/77/57/639207757.db2.gz YXMLWGFBAGLGCI-QGZVFWFLSA-N 1 1 299.805 3.424 20 30 CGEDMO C#CCCC[N@H+]1CCc2nc[nH]c2[C@H]1c1ccc(Cl)cc1 ZINC000931797701 639207758 /nfs/dbraw/zinc/20/77/58/639207758.db2.gz YXMLWGFBAGLGCI-QGZVFWFLSA-N 1 1 299.805 3.424 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000931922573 639232236 /nfs/dbraw/zinc/23/22/36/639232236.db2.gz FEJANQRRURQPTA-WBVHZDCISA-N 1 1 254.377 3.200 20 30 CGEDMO N#CCCCC[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859930249 639256880 /nfs/dbraw/zinc/25/68/80/639256880.db2.gz QICAGJPWCUXRMW-YESZJQIVSA-N 1 1 254.377 3.416 20 30 CGEDMO C#CCCC[N@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000932191241 639291385 /nfs/dbraw/zinc/29/13/85/639291385.db2.gz RIFACQGUHHEJGV-ZDUSSCGKSA-N 1 1 274.433 3.225 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@@H]1[C@@H](C)c1ccccc1 ZINC000932276574 639310816 /nfs/dbraw/zinc/31/08/16/639310816.db2.gz PIZCOZXYXCAQGY-HLLBOEOZSA-N 1 1 272.392 3.183 20 30 CGEDMO N#CC1(CC[NH2+][C@@H](c2ncccn2)C2CC2)CCCCC1 ZINC000932355872 639321622 /nfs/dbraw/zinc/32/16/22/639321622.db2.gz IDUSWSPYPYWCFL-OAHLLOKOSA-N 1 1 284.407 3.381 20 30 CGEDMO C[C@H]([NH2+]C[C@H](O)CC#N)c1cc(Cl)cc(Cl)c1F ZINC000932567381 639357193 /nfs/dbraw/zinc/35/71/93/639357193.db2.gz JFSNFRLBDNSUMC-IONNQARKSA-N 1 1 291.153 3.058 20 30 CGEDMO CCO[C@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000932973246 639405119 /nfs/dbraw/zinc/40/51/19/639405119.db2.gz UMVZUCJBGJLCSM-HNNXBMFYSA-N 1 1 272.392 3.099 20 30 CGEDMO C#CCCCCC[N@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000933089574 639416187 /nfs/dbraw/zinc/41/61/87/639416187.db2.gz UDQKSVUEXVXWJA-KRWDZBQOSA-N 1 1 263.425 3.319 20 30 CGEDMO C#CCC1([NH2+]Cc2ncn(-c3ccccc3)n2)CCCCC1 ZINC000933265087 639432787 /nfs/dbraw/zinc/43/27/87/639432787.db2.gz RSZXLAFNIGLZHP-UHFFFAOYSA-N 1 1 294.402 3.083 20 30 CGEDMO N#Cc1ccc([C@@H]2C[N@@H+](CCCC3CC3)CCO2)cc1 ZINC000933629383 639472008 /nfs/dbraw/zinc/47/20/08/639472008.db2.gz BPCOBNLIKZJMDU-KRWDZBQOSA-N 1 1 270.376 3.122 20 30 CGEDMO CC(C)SCC[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933771793 639488897 /nfs/dbraw/zinc/48/88/97/639488897.db2.gz IZUQLSPGLDJDGN-UHFFFAOYSA-N 1 1 254.424 3.193 20 30 CGEDMO C=CC1(CC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CCCCC1 ZINC000933895145 639503280 /nfs/dbraw/zinc/50/32/80/639503280.db2.gz NGCRNTYUENVLJQ-CVEARBPZSA-N 1 1 290.451 3.208 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCSC[C@H]2C2CC2)c(F)c1 ZINC000933917731 639508366 /nfs/dbraw/zinc/50/83/66/639508366.db2.gz HXMDBYLHWJANPM-INIZCTEOSA-N 1 1 290.407 3.415 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](Cc3nccs3)C2)cc1 ZINC000934333821 639586578 /nfs/dbraw/zinc/58/65/78/639586578.db2.gz RVTQYGNKLQFPEW-HNNXBMFYSA-N 1 1 283.400 3.079 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1cccc(C)c1C ZINC000934472602 639615894 /nfs/dbraw/zinc/61/58/94/639615894.db2.gz OJHYLUJYKGLBSV-LSDHHAIUSA-N 1 1 272.392 3.281 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000935002125 639730184 /nfs/dbraw/zinc/73/01/84/639730184.db2.gz DRLZQODEERQUEF-HOTGVXAUSA-N 1 1 280.456 3.073 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)nc1)[C@H]1CCc2ccccc21 ZINC000189278259 640182839 /nfs/dbraw/zinc/18/28/39/640182839.db2.gz YMEQQUOWPYAMCY-KRWDZBQOSA-N 1 1 280.346 3.343 20 30 CGEDMO C#CC[N@H+](Cc1ccc(F)nc1)[C@H]1CCc2ccccc21 ZINC000189278259 640182844 /nfs/dbraw/zinc/18/28/44/640182844.db2.gz YMEQQUOWPYAMCY-KRWDZBQOSA-N 1 1 280.346 3.343 20 30 CGEDMO C=C(Br)C[N@H+](CCOC)C(CC)CC ZINC000077482979 640242717 /nfs/dbraw/zinc/24/27/17/640242717.db2.gz UBRPTDZMBPHVLQ-UHFFFAOYSA-N 1 1 264.207 3.032 20 30 CGEDMO C#CCCCC(=O)OC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000191217182 640296654 /nfs/dbraw/zinc/29/66/54/640296654.db2.gz ZWMUPYNOWZAFLQ-SFHVURJKSA-N 1 1 299.414 3.245 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C#N)c(F)c1)C1CCCC1 ZINC000192068823 640347927 /nfs/dbraw/zinc/34/79/27/640347927.db2.gz ZAHITIBQBQNAGF-UHFFFAOYSA-N 1 1 256.324 3.075 20 30 CGEDMO C=CCn1c(C)nn(C[N@@H+](C)[C@@H]2CCC[C@H](C)C2)c1=S ZINC000192566347 640387652 /nfs/dbraw/zinc/38/76/52/640387652.db2.gz ATXBCSBFFPZITG-GXTWGEPZSA-N 1 1 294.468 3.377 20 30 CGEDMO C=CCn1c(C)nn(C[N@H+](C)[C@@H]2CCC[C@H](C)C2)c1=S ZINC000192566347 640387657 /nfs/dbraw/zinc/38/76/57/640387657.db2.gz ATXBCSBFFPZITG-GXTWGEPZSA-N 1 1 294.468 3.377 20 30 CGEDMO CC(C)C[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000245974395 640650878 /nfs/dbraw/zinc/65/08/78/640650878.db2.gz GAIXMORKLSSUCD-SJLPKXTDSA-N 1 1 286.419 3.350 20 30 CGEDMO CC#CC[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000246436902 640675110 /nfs/dbraw/zinc/67/51/10/640675110.db2.gz DCWBXNNDUWBWCJ-HUUCEWRRSA-N 1 1 277.433 3.440 20 30 CGEDMO C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C1CCC(C)(C)CC1 ZINC000094859606 640803962 /nfs/dbraw/zinc/80/39/62/640803962.db2.gz JWCRDAFXIKOLSZ-KRWDZBQOSA-N 1 1 286.419 3.492 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)C2=CCCCCC2)C1 ZINC001007197089 640904228 /nfs/dbraw/zinc/90/42/28/640904228.db2.gz WATORPOSXGOGQL-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2ccoc2Cl)C1 ZINC001007219399 640928325 /nfs/dbraw/zinc/92/83/25/640928325.db2.gz GUFDRUGPPOECMU-GFCCVEGCSA-N 1 1 296.798 3.093 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001007397871 640942201 /nfs/dbraw/zinc/94/22/01/640942201.db2.gz VXVTXBDARYSKGH-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2sccc2Cl)C1 ZINC001007395768 640942469 /nfs/dbraw/zinc/94/24/69/640942469.db2.gz JHMROPNHAOHFAA-NSHDSACASA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC)s2)C1 ZINC001007844487 640945026 /nfs/dbraw/zinc/94/50/26/640945026.db2.gz KIYVFPOPKLDHSD-CYBMUJFWSA-N 1 1 292.448 3.081 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001008229981 640948347 /nfs/dbraw/zinc/94/83/47/640948347.db2.gz MWWLDEFMSPAAIT-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)C2(C)CCCCC2)C1 ZINC001008395014 640950907 /nfs/dbraw/zinc/95/09/07/640950907.db2.gz QLJYTEASQFNCPP-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001008823261 640955269 /nfs/dbraw/zinc/95/52/69/640955269.db2.gz GKIIDSYAZSTGCI-GOSISDBHSA-N 1 1 296.414 3.026 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CCCC(C)(C)C2)C1 ZINC001009199570 640956191 /nfs/dbraw/zinc/95/61/91/640956191.db2.gz FRFGUFYQZZRZDE-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](NC(=O)c2cccc3ccccc32)C1 ZINC001009400435 640958849 /nfs/dbraw/zinc/95/88/49/640958849.db2.gz HUUFXIAJDJDIFP-INIZCTEOSA-N 1 1 294.398 3.220 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2C2CCC2)C1 ZINC001009355183 640959125 /nfs/dbraw/zinc/95/91/25/640959125.db2.gz BERDIXGMICUSEV-MRXNPFEDSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC001009328175 640959393 /nfs/dbraw/zinc/95/93/93/640959393.db2.gz PBRGQYUSYDHEQC-QGZVFWFLSA-N 1 1 286.419 3.074 20 30 CGEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc([C@@H](C)CC)cc2)C1 ZINC001009632424 640960173 /nfs/dbraw/zinc/96/01/73/640960173.db2.gz RQXJYRUZNRVBDJ-YJBOKZPZSA-N 1 1 298.430 3.028 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc([C@@H](C)CC)cc2)C1 ZINC001009632424 640960177 /nfs/dbraw/zinc/96/01/77/640960177.db2.gz RQXJYRUZNRVBDJ-YJBOKZPZSA-N 1 1 298.430 3.028 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccc3occc3c2)C1 ZINC001014520950 640973468 /nfs/dbraw/zinc/97/34/68/640973468.db2.gz GAUYYFLYZLMOEU-INIZCTEOSA-N 1 1 298.386 3.203 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001014544893 640973868 /nfs/dbraw/zinc/97/38/68/640973868.db2.gz PLPMDBBTTNDPHL-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)cc(Cl)c2)C1 ZINC001015274318 640979757 /nfs/dbraw/zinc/97/97/57/640979757.db2.gz OMPATKGMNSUUFF-HNNXBMFYSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2occc2C(C)C)C1 ZINC001015602290 640982557 /nfs/dbraw/zinc/98/25/57/640982557.db2.gz BPBRWPXAMXDRPC-CQSZACIVSA-N 1 1 290.407 3.173 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)c2ccc(C3CC3)s2)C1 ZINC001015990125 640988647 /nfs/dbraw/zinc/98/86/47/640988647.db2.gz GXPPDJBUWXKLQJ-ZDUSSCGKSA-N 1 1 290.432 3.006 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C2(C3CCCCC3)CC2)C1 ZINC001016115690 640992709 /nfs/dbraw/zinc/99/27/09/640992709.db2.gz ZLEPNSVOASKBMW-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cccc3ccccc32)C1 ZINC001016158172 640993065 /nfs/dbraw/zinc/99/30/65/640993065.db2.gz ALHZVIHSHOUHIA-MRXNPFEDSA-N 1 1 294.398 3.220 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC(C)(C)C1CC1 ZINC001017532031 641013999 /nfs/dbraw/zinc/01/39/99/641013999.db2.gz SPQMPUXDMVSXLF-IYBDPMFKSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CCC[C@@H]1CC ZINC001017663694 641014793 /nfs/dbraw/zinc/01/47/93/641014793.db2.gz WQDSLLLQIXWQIF-CUSZFKRNSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CCC[C@@H]1CC ZINC001017663694 641014796 /nfs/dbraw/zinc/01/47/96/641014796.db2.gz WQDSLLLQIXWQIF-CUSZFKRNSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[C@@H]1C ZINC001017864553 641017118 /nfs/dbraw/zinc/01/71/18/641017118.db2.gz KHNGEDGJGWXRRZ-NXOAAHMSSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H](C)C1 ZINC001017864712 641017203 /nfs/dbraw/zinc/01/72/03/641017203.db2.gz MNGGLMMLHGDQFI-TWMKSMIVSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H](C)C1 ZINC001017864712 641017207 /nfs/dbraw/zinc/01/72/07/641017207.db2.gz MNGGLMMLHGDQFI-TWMKSMIVSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)CCC[C@H]1C ZINC001017904263 641018924 /nfs/dbraw/zinc/01/89/24/641018924.db2.gz HMIXARVBTWBIOO-XLMAVXFVSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)CCC[C@H]1C ZINC001017904263 641018926 /nfs/dbraw/zinc/01/89/26/641018926.db2.gz HMIXARVBTWBIOO-XLMAVXFVSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)C/C=C\Cl ZINC001155484219 805586094 /nfs/dbraw/zinc/58/60/94/805586094.db2.gz FQWUCUQIWCCEIP-CHOZFAJLSA-N 1 1 286.847 3.168 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)CC1CCCC1 ZINC001155607887 805597201 /nfs/dbraw/zinc/59/72/01/805597201.db2.gz ZKVNNRBNTWKRNZ-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)CCCCC ZINC001155653957 805600309 /nfs/dbraw/zinc/60/03/09/805600309.db2.gz JIGYMFVXHIXBQA-DLBZAZTESA-N 1 1 294.483 3.443 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)c1cc(C)oc1C ZINC001155851056 805615153 /nfs/dbraw/zinc/61/51/53/805615153.db2.gz RXRCAVLLZFZDPE-TZMCWYRMSA-N 1 1 292.423 3.013 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc2c(c(OC)c1)OCC=C2 ZINC001250512862 805667075 /nfs/dbraw/zinc/66/70/75/805667075.db2.gz PFDNRKZKZGMWQA-UHFFFAOYSA-N 1 1 273.376 3.499 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](CC)C(C)(C)C ZINC001156319016 805674564 /nfs/dbraw/zinc/67/45/64/805674564.db2.gz MJJOZVSMYBMEII-HZPDHXFCSA-N 1 1 294.483 3.299 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)C(C)(C)C ZINC001156606399 805718813 /nfs/dbraw/zinc/71/88/13/805718813.db2.gz IGWSESZQJYUCKS-LSDHHAIUSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)C(C)(C)C ZINC001156606615 805719012 /nfs/dbraw/zinc/71/90/12/805719012.db2.gz NGNMCVFZEZMJLG-HUUCEWRRSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)c1ccccc1 ZINC001156757763 805731835 /nfs/dbraw/zinc/73/18/35/805731835.db2.gz HJHYDEKBOLDNJX-HZPDHXFCSA-N 1 1 288.435 3.193 20 30 CGEDMO CC(C)n1ccc2c1nc[nH+]c2NCc1ccccc1C#N ZINC001156786810 805735662 /nfs/dbraw/zinc/73/56/62/805735662.db2.gz MYRBOZQSFUUCFG-UHFFFAOYSA-N 1 1 291.358 3.496 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccccc1 ZINC001157464558 805817256 /nfs/dbraw/zinc/81/72/56/805817256.db2.gz CPULMUQUQGEHNN-QGZVFWFLSA-N 1 1 286.419 3.189 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)/C=C(\C)C1CC1 ZINC001157613943 805842268 /nfs/dbraw/zinc/84/22/68/805842268.db2.gz BUFRIZQGLWJWCN-LCJXNMAOSA-N 1 1 290.451 3.232 20 30 CGEDMO COc1ccc2cc[nH+]c(NCCCCC#N)c2c1 ZINC001157640869 805844599 /nfs/dbraw/zinc/84/45/99/805844599.db2.gz BTHNLPMBKWRQJI-UHFFFAOYSA-N 1 1 255.321 3.349 20 30 CGEDMO Cc1cccc(C2(Nc3[nH+]c(C)ccc3CC#N)COC2)c1 ZINC001157677662 805851157 /nfs/dbraw/zinc/85/11/57/805851157.db2.gz QVTDLRZXMVNCTP-UHFFFAOYSA-N 1 1 293.370 3.102 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)CCCC ZINC001157903703 805901635 /nfs/dbraw/zinc/90/16/35/805901635.db2.gz XRUADVIOTOHADL-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)/C=C(/C)CC ZINC001157930587 805905481 /nfs/dbraw/zinc/90/54/81/805905481.db2.gz KRIXKZBGKCKRTO-UGEDRFTOSA-N 1 1 278.440 3.232 20 30 CGEDMO CCCCCCCCCN(C)c1cc(N)[nH+]cn1 ZINC001251646655 805916604 /nfs/dbraw/zinc/91/66/04/805916604.db2.gz YUXGUFQDJFELCU-UHFFFAOYSA-N 1 1 250.390 3.246 20 30 CGEDMO C=CCC[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+](C(C)C)C1 ZINC001158173706 805925371 /nfs/dbraw/zinc/92/53/71/805925371.db2.gz UDVOMHAJJYTQFY-HOTGVXAUSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1C[N@H+](C)CCC ZINC001158370650 805946143 /nfs/dbraw/zinc/94/61/43/805946143.db2.gz XKUDMKXYBLVRBY-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[C@H](C)CC1 ZINC001158767953 806000799 /nfs/dbraw/zinc/00/07/99/806000799.db2.gz ABZSUPXNJHCVHJ-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO CCCCCCCC[C@H](O)C[NH2+]CC(C)(F)F ZINC001252120979 806007499 /nfs/dbraw/zinc/00/74/99/806007499.db2.gz ALLPISMQDPPHPT-LBPRGKRZSA-N 1 1 251.361 3.343 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCCN(CC)CC1 ZINC001252121466 806008084 /nfs/dbraw/zinc/00/80/84/806008084.db2.gz GMECUZBFRONESL-KRWDZBQOSA-N 1 1 284.488 3.126 20 30 CGEDMO CCCCCCCC[C@H](O)CN1CCC[N@H+](CC)CC1 ZINC001252121466 806008094 /nfs/dbraw/zinc/00/80/94/806008094.db2.gz GMECUZBFRONESL-KRWDZBQOSA-N 1 1 284.488 3.126 20 30 CGEDMO CCCCCCCC[C@H](O)CN1CCC[N@@H+](CC)CC1 ZINC001252121466 806008104 /nfs/dbraw/zinc/00/81/04/806008104.db2.gz GMECUZBFRONESL-KRWDZBQOSA-N 1 1 284.488 3.126 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+]1CCC(=O)C[C@@H]1C ZINC001252123545 806011300 /nfs/dbraw/zinc/01/13/00/806011300.db2.gz IXKFBWVQBHTGRV-GOEBONIOSA-N 1 1 269.429 3.151 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCC(=O)C[C@@H]1C ZINC001252123545 806011307 /nfs/dbraw/zinc/01/13/07/806011307.db2.gz IXKFBWVQBHTGRV-GOEBONIOSA-N 1 1 269.429 3.151 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+]1CCc2nc(C)[nH]c2C1 ZINC001252130820 806018135 /nfs/dbraw/zinc/01/81/35/806018135.db2.gz YPICOXHJBGDWAC-OAHLLOKOSA-N 1 1 293.455 3.188 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCc2nc(C)[nH]c2C1 ZINC001252130820 806018147 /nfs/dbraw/zinc/01/81/47/806018147.db2.gz YPICOXHJBGDWAC-OAHLLOKOSA-N 1 1 293.455 3.188 20 30 CGEDMO CCCCCCCC[C@@H](O)C[NH2+]C1(c2ncccn2)CC1 ZINC001252139886 806025696 /nfs/dbraw/zinc/02/56/96/806025696.db2.gz UBQJUKDXMIALND-OAHLLOKOSA-N 1 1 291.439 3.167 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)C(C)(C)F)CC1 ZINC001159046183 806036443 /nfs/dbraw/zinc/03/64/43/806036443.db2.gz BEGPOLDMBBVWDX-CQSZACIVSA-N 1 1 296.430 3.228 20 30 CGEDMO C=C(Cl)C[N@H+]1CC=C(CCNC(=O)CCC(C)C)CC1 ZINC001159193288 806058226 /nfs/dbraw/zinc/05/82/26/806058226.db2.gz PQXYTCXDDJUJKW-UHFFFAOYSA-N 1 1 298.858 3.314 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)CCC(C)C)CC1 ZINC001159193288 806058235 /nfs/dbraw/zinc/05/82/35/806058235.db2.gz PQXYTCXDDJUJKW-UHFFFAOYSA-N 1 1 298.858 3.314 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1CCCC[C@@H]1c1ccccc1F ZINC001252554034 806061646 /nfs/dbraw/zinc/06/16/46/806061646.db2.gz AHVIBHBRDMZIKU-CVEARBPZSA-N 1 1 263.356 3.290 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)c2ccsc2)CC1 ZINC001159218277 806061050 /nfs/dbraw/zinc/06/10/50/806061050.db2.gz YQRMLOMELRSKOE-UHFFFAOYSA-N 1 1 290.432 3.076 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC001252558164 806063390 /nfs/dbraw/zinc/06/33/90/806063390.db2.gz NBBOTXVQQCRISY-GJZGRUSLSA-N 1 1 267.319 3.039 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1[C@@H](CC)CO[C@@]1(C)CCC(C)C ZINC001252560296 806065884 /nfs/dbraw/zinc/06/58/84/806065884.db2.gz QXCLEWCCESRNDU-JYJNAYRXSA-N 1 1 269.429 3.187 20 30 CGEDMO C=C[C@@](C)(O)C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC001252559937 806066036 /nfs/dbraw/zinc/06/60/36/806066036.db2.gz MIPXEVNERXAWEU-CYBMUJFWSA-N 1 1 273.298 3.074 20 30 CGEDMO C=C[C@@](C)(O)CNc1ccc([NH+]2CCCCC2)cc1 ZINC001252565153 806068646 /nfs/dbraw/zinc/06/86/46/806068646.db2.gz PNSQKQWJAGEYIC-MRXNPFEDSA-N 1 1 260.381 3.026 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H](Oc2ccc(C)cc2)C1 ZINC001252599520 806081859 /nfs/dbraw/zinc/08/18/59/806081859.db2.gz BDLFUKHYLVJSMO-AEFFLSMTSA-N 1 1 289.419 3.165 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC001252602673 806083120 /nfs/dbraw/zinc/08/31/20/806083120.db2.gz DOZDDNFPICRTSC-JKSUJKDBSA-N 1 1 251.414 3.216 20 30 CGEDMO C=CCCC(=O)NCCC1=CC[N@@H+](CC2CCCC2)CC1 ZINC001159538795 806118479 /nfs/dbraw/zinc/11/84/79/806118479.db2.gz MFQYTRXXVNOBQZ-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[NH2+]C[C@@H]1CCN(C)C1 ZINC001252983334 806147246 /nfs/dbraw/zinc/14/72/46/806147246.db2.gz VEJXPIYZIRCYPN-ZWKOTPCHSA-N 1 1 298.515 3.419 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+](CC)CCn1cccn1 ZINC001253240177 806190144 /nfs/dbraw/zinc/19/01/44/806190144.db2.gz FXHQIEYDCSVKAD-KRWDZBQOSA-N 1 1 293.455 3.093 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+](C)C1CCN(CC)CC1 ZINC001253238834 806190497 /nfs/dbraw/zinc/19/04/97/806190497.db2.gz IFNFRZWDZBQUBM-GOSISDBHSA-N 1 1 296.499 3.290 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+](CCOC)C(C)C ZINC001253240005 806190550 /nfs/dbraw/zinc/19/05/50/806190550.db2.gz WYLHFQVGGCYQBD-INIZCTEOSA-N 1 1 271.445 3.231 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[NH2+][C@H](C)c1ncc(F)cn1 ZINC001253250955 806196603 /nfs/dbraw/zinc/19/66/03/806196603.db2.gz GKMMXTQCCRZFOO-UKRRQHHQSA-N 1 1 295.402 3.154 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[NH2+]CC(C)(C)CN(C)C ZINC001253250425 806196702 /nfs/dbraw/zinc/19/67/02/806196702.db2.gz YUMZDTPAJAILGZ-MRXNPFEDSA-N 1 1 284.488 3.051 20 30 CGEDMO C=CCCCCCC[C@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001253250208 806196761 /nfs/dbraw/zinc/19/67/61/806196761.db2.gz VAYUPILJEGTNLA-MHORFTMASA-N 1 1 294.483 3.089 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)/C=C(/C)CC)CC1 ZINC001160042586 806217391 /nfs/dbraw/zinc/21/73/91/806217391.db2.gz JNSHBVVOFGZVDM-PFONDFGASA-N 1 1 276.424 3.057 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)C2(C)CC2)CC1 ZINC001160208293 806234796 /nfs/dbraw/zinc/23/47/96/806234796.db2.gz XLTVSJVMTQJOBE-OAHLLOKOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)CC(C)(C)CC)CC1 ZINC001160235513 806239387 /nfs/dbraw/zinc/23/93/87/806239387.db2.gz GMISMHRZGHZEPZ-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)CCC(=O)NCCC1=CC[N@@H+](CC(=C)C)CC1 ZINC001160258425 806243445 /nfs/dbraw/zinc/24/34/45/806243445.db2.gz WXJDWCVHLOCYRX-UHFFFAOYSA-N 1 1 276.424 3.057 20 30 CGEDMO C=C[C@@H](O)C[N@H+]1CC[C@@H](c2cccc(Cl)c2Cl)C1 ZINC001253578857 806264276 /nfs/dbraw/zinc/26/42/76/806264276.db2.gz ISTIKLBEMHQCIL-GHMZBOCLSA-N 1 1 286.202 3.330 20 30 CGEDMO Cc1c[nH+]c(NCC#CC(C)(C)C)nc1NC(C)C ZINC001160389919 806266161 /nfs/dbraw/zinc/26/61/61/806266161.db2.gz AGEPPWDKJGQGAT-UHFFFAOYSA-N 1 1 260.385 3.067 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1nccc2ccc(OC)cc21 ZINC001160953797 806328152 /nfs/dbraw/zinc/32/81/52/806328152.db2.gz KJMASGJCZSCCKL-HNNXBMFYSA-N 1 1 297.402 3.306 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NCCC1=CC[N@@H+](CC(C)C)CC1 ZINC001160992488 806333971 /nfs/dbraw/zinc/33/39/71/806333971.db2.gz YVGNUINUHZKSKZ-INIZCTEOSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCCCC(=O)NCCC1=CC[N@@H+](CC(=C)C)CC1 ZINC001161056697 806345207 /nfs/dbraw/zinc/34/52/07/806345207.db2.gz OEQKZHRWUNDNQD-UHFFFAOYSA-N 1 1 276.424 3.057 20 30 CGEDMO C=CCC(C)(C)C(=O)NCCC1=CC[N@@H+](CC2CC2)CC1 ZINC001161336409 806367687 /nfs/dbraw/zinc/36/76/87/806367687.db2.gz SFYBJKLSQHYOFT-UHFFFAOYSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254560517 806451700 /nfs/dbraw/zinc/45/17/00/806451700.db2.gz UWWYPIQCHRJCKD-ZDUSSCGKSA-N 1 1 262.353 3.424 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)c2cc(C)cc(C)c2)CC1 ZINC001161771511 806452058 /nfs/dbraw/zinc/45/20/58/806452058.db2.gz NTUNZEGZAIHUDU-UHFFFAOYSA-N 1 1 298.430 3.241 20 30 CGEDMO N#CCC[N@@H+](C1CCCC1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601410 806459211 /nfs/dbraw/zinc/45/92/11/806459211.db2.gz ZIOMPRFGCUEOLA-KRWDZBQOSA-N 1 1 299.374 3.220 20 30 CGEDMO N#C[C@@H]1CC[C@H](NC2CC[NH+](C[C@H]3CC=CCC3)CC2)C1 ZINC001254654189 806475437 /nfs/dbraw/zinc/47/54/37/806475437.db2.gz SJDKUWALXLUCQS-JZXOWHBKSA-N 1 1 287.451 3.089 20 30 CGEDMO CC(C)[N@H+](CC(=O)c1ccccc1)[C@@H]1CC[C@@H](C#N)C1 ZINC001254667600 806479303 /nfs/dbraw/zinc/47/93/03/806479303.db2.gz BNEUTUCHPKWWKL-GDBMZVCRSA-N 1 1 270.376 3.272 20 30 CGEDMO CC(C)[N@@H+](CC(=O)c1ccccc1)[C@@H]1CC[C@@H](C#N)C1 ZINC001254667600 806479309 /nfs/dbraw/zinc/47/93/09/806479309.db2.gz BNEUTUCHPKWWKL-GDBMZVCRSA-N 1 1 270.376 3.272 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)C2CCC=CCC2)CC1 ZINC001161889373 806479946 /nfs/dbraw/zinc/47/99/46/806479946.db2.gz UEZDQVMJIXGULW-UHFFFAOYSA-N 1 1 288.435 3.057 20 30 CGEDMO N#C[C@H]1CC[C@H]([N@H+]2CCCC[C@H]2c2cccnc2)C1 ZINC001254669536 806480113 /nfs/dbraw/zinc/48/01/13/806480113.db2.gz SHEZYPUSPOOTDQ-BPUTZDHNSA-N 1 1 255.365 3.301 20 30 CGEDMO Cc1ccc([C@@H]2CCC[N@H+]2[C@@H]2CC[C@@H](C#N)C2)cn1 ZINC001254672461 806481813 /nfs/dbraw/zinc/48/18/13/806481813.db2.gz BKXRYDYCXUDJGA-BMFZPTHFSA-N 1 1 255.365 3.219 20 30 CGEDMO N#C[C@H]1CC[C@@H]([N@H+]2CCCC3(CC(F)C3)CC2)C1 ZINC001254670406 806482065 /nfs/dbraw/zinc/48/20/65/806482065.db2.gz JJCGOLZVVIVYQW-FGZQJIAISA-N 1 1 250.361 3.283 20 30 CGEDMO COc1ccc2c(c1)C[N@@H+]([C@H]1CC[C@H](C#N)C1)CCC2 ZINC001254675815 806483448 /nfs/dbraw/zinc/48/34/48/806483448.db2.gz GTOKOAOZIVFQKC-BBRMVZONSA-N 1 1 270.376 3.136 20 30 CGEDMO COc1ccc(C2=CC[N@H+]([C@@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC001254676992 806484570 /nfs/dbraw/zinc/48/45/70/806484570.db2.gz PJRWRSBVWMNTPK-WMLDXEAASA-N 1 1 282.387 3.477 20 30 CGEDMO C[N@H+]1CCCC[C@@H]1c1ccc(NC2(C#N)CCC2)nc1 ZINC001162309115 806552258 /nfs/dbraw/zinc/55/22/58/806552258.db2.gz AAQNXFVHNREFGH-CQSZACIVSA-N 1 1 270.380 3.097 20 30 CGEDMO N#C[C@@H]1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255145846 806554163 /nfs/dbraw/zinc/55/41/63/806554163.db2.gz VYRQHUOTNJZXTK-INDMIFKZSA-N 1 1 295.430 3.027 20 30 CGEDMO CC[C@@H](CC#N)[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC001255153041 806555589 /nfs/dbraw/zinc/55/55/89/806555589.db2.gz OTQIMCYRUDSSKK-UONOGXRCSA-N 1 1 266.772 3.045 20 30 CGEDMO CC[C@H](CC#N)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001255172674 806566308 /nfs/dbraw/zinc/56/63/08/806566308.db2.gz DSVIFMQBXLYISU-QGZVFWFLSA-N 1 1 289.398 3.026 20 30 CGEDMO C=CCOC(=O)N[C@@H]1CCC[N@H+](C2CCC(C)(C)CC2)C1 ZINC001255309221 806605143 /nfs/dbraw/zinc/60/51/43/806605143.db2.gz ZTLYZKNHNMMKTR-CQSZACIVSA-N 1 1 294.439 3.332 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H](C)CC)[C@H]2CC ZINC001257439602 807156488 /nfs/dbraw/zinc/15/64/88/807156488.db2.gz IYZVAWYIQIWCMA-ZOBUZTSGSA-N 1 1 278.440 3.207 20 30 CGEDMO C=CCCCC[N@H+](C)[C@H]1CCC[C@H](C(=O)OCC)C1 ZINC001255370572 806627216 /nfs/dbraw/zinc/62/72/16/806627216.db2.gz MSDMUZQVCOJHEC-GJZGRUSLSA-N 1 1 267.413 3.396 20 30 CGEDMO C#CCCC[NH2+][C@H]1CCCN(Cc2ccccc2)CC1 ZINC001255381520 806629904 /nfs/dbraw/zinc/62/99/04/806629904.db2.gz PBXBIMYBJGJNKW-SFHVURJKSA-N 1 1 270.420 3.044 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1OC ZINC000077252916 798927880 /nfs/dbraw/zinc/92/78/80/798927880.db2.gz OHLVKHSIXHKMQW-AWEZNQCLSA-N 1 1 273.376 3.082 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(Cl)ccn1 ZINC000092416666 798957086 /nfs/dbraw/zinc/95/70/86/798957086.db2.gz FFBLMEKYGBJPDN-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(Cl)ccn1 ZINC000092416666 798957089 /nfs/dbraw/zinc/95/70/89/798957089.db2.gz FFBLMEKYGBJPDN-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO N#CCNc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001163187742 806716598 /nfs/dbraw/zinc/71/65/98/806716598.db2.gz VXQOIJYEWJTGDT-UHFFFAOYSA-N 1 1 263.344 3.138 20 30 CGEDMO CC[C@@H](C)[N@@H+](C)CCNc1nc2ccccc2cc1C#N ZINC000218081872 799135380 /nfs/dbraw/zinc/13/53/80/799135380.db2.gz PHEVFRNZIFJJCF-CYBMUJFWSA-N 1 1 282.391 3.249 20 30 CGEDMO N#CC1(C[N@@H+]2Cc3ccccc3C3(CCC3)C2)CC1 ZINC000334325915 799258482 /nfs/dbraw/zinc/25/84/82/799258482.db2.gz BHTHAAGLRFCSQF-UHFFFAOYSA-N 1 1 252.361 3.228 20 30 CGEDMO N#CC1(C[N@H+]2Cc3ccccc3C3(CCC3)C2)CC1 ZINC000334325915 799258485 /nfs/dbraw/zinc/25/84/85/799258485.db2.gz BHTHAAGLRFCSQF-UHFFFAOYSA-N 1 1 252.361 3.228 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2nccn2C)C1 ZINC000370062993 799341895 /nfs/dbraw/zinc/34/18/95/799341895.db2.gz NUHRHPXZQRLFNI-PBHICJAKSA-N 1 1 294.402 3.232 20 30 CGEDMO C#CC[N@@H+](C)CCCNCc1c(Cl)cccc1Cl ZINC000385696549 799428127 /nfs/dbraw/zinc/42/81/27/799428127.db2.gz FIGKHTJLTAEGBI-UHFFFAOYSA-N 1 1 285.218 3.038 20 30 CGEDMO CC[C@H](C)[N@@H+](CCO[C@H](C)C#N)Cc1ccccc1 ZINC000387322506 799445400 /nfs/dbraw/zinc/44/54/00/799445400.db2.gz CQHFKVCFJPIYGA-LSDHHAIUSA-N 1 1 260.381 3.216 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H](C)c1cncc(Br)c1 ZINC000695209557 799828095 /nfs/dbraw/zinc/82/80/95/799828095.db2.gz VMGOZGHIYUWPLW-QMMMGPOBSA-N 1 1 275.577 3.247 20 30 CGEDMO CC(=O)C=C(C)Nc1ccc([C@@H]2CC[N@H+](C)C2)cc1 ZINC001163743126 806814162 /nfs/dbraw/zinc/81/41/62/806814162.db2.gz ZIAXLBAJGQPJGF-KUGGDMIFSA-N 1 1 258.365 3.010 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000721544243 800293439 /nfs/dbraw/zinc/29/34/39/800293439.db2.gz LTPSCBBSWQCLQB-HOTGVXAUSA-N 1 1 255.365 3.108 20 30 CGEDMO C[C@@]1(C2CC2)C[N@@H+](CCCCC2(C#N)CCC2)CCO1 ZINC000930922840 800652132 /nfs/dbraw/zinc/65/21/32/800652132.db2.gz HDQAJBNFRPIYQD-INIZCTEOSA-N 1 1 276.424 3.351 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)[C@H]2CCc3c2cccc3F)n1 ZINC001256205623 806851030 /nfs/dbraw/zinc/85/10/30/806851030.db2.gz OSMBIXPRXKDWFG-SFHVURJKSA-N 1 1 297.377 3.165 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)[C@H]2CCc3c2cccc3F)n1 ZINC001256205623 806851040 /nfs/dbraw/zinc/85/10/40/806851040.db2.gz OSMBIXPRXKDWFG-SFHVURJKSA-N 1 1 297.377 3.165 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000934458971 800678557 /nfs/dbraw/zinc/67/85/57/800678557.db2.gz GWTSVYUJSSAAIF-UONOGXRCSA-N 1 1 285.309 3.389 20 30 CGEDMO N#Cc1cccnc1NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001163942131 806854437 /nfs/dbraw/zinc/85/44/37/806854437.db2.gz MLKLHLHYPFUAGE-INIZCTEOSA-N 1 1 284.407 3.162 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)c2cscc2Cl)C1 ZINC001023434062 800709426 /nfs/dbraw/zinc/70/94/26/800709426.db2.gz AWAMPYSCCANZRC-LLVKDONJSA-N 1 1 298.839 3.029 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](CNC(=O)C2CCCCCCC2)C1 ZINC001023482397 800712492 /nfs/dbraw/zinc/71/24/92/800712492.db2.gz FIPMAHSFONADOE-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001023580946 800713032 /nfs/dbraw/zinc/71/30/32/800713032.db2.gz ZWSDNRKDPIZFHI-HOTGVXAUSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C=C)cc2)C1 ZINC001023603987 800713254 /nfs/dbraw/zinc/71/32/54/800713254.db2.gz GUTDTNBBFYNPFM-KRWDZBQOSA-N 1 1 298.430 3.348 20 30 CGEDMO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)C1=CCCCCC1 ZINC001024411533 800728771 /nfs/dbraw/zinc/72/87/71/800728771.db2.gz RGXZLMYEOWDUBQ-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC001024683018 800734825 /nfs/dbraw/zinc/73/48/25/800734825.db2.gz LSSSIVTZZAMTBB-CVEARBPZSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C)cc(C)c1 ZINC001024778308 800736439 /nfs/dbraw/zinc/73/64/39/800736439.db2.gz XJAZTMLFEAIJBT-KRWDZBQOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)C1CCC=CCC1 ZINC001024805069 800737450 /nfs/dbraw/zinc/73/74/50/800737450.db2.gz OBIBCZDIRZLOKO-QGZVFWFLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCC ZINC001025191254 800746945 /nfs/dbraw/zinc/74/69/45/800746945.db2.gz HBUASAPHKPGOFN-HOTGVXAUSA-N 1 1 278.440 3.208 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)C ZINC001025205027 800750120 /nfs/dbraw/zinc/75/01/20/800750120.db2.gz RYXBGWYFELWCMB-LSDHHAIUSA-N 1 1 298.858 3.240 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)CC ZINC001025258860 800751814 /nfs/dbraw/zinc/75/18/14/800751814.db2.gz KCNGLIWMBZTTAM-HOTGVXAUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccsc2)C1 ZINC001025336181 800757316 /nfs/dbraw/zinc/75/73/16/800757316.db2.gz GVQXSPUDBOHPIC-ZIAGYGMSSA-N 1 1 292.448 3.155 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C2CCCCCC2)C1 ZINC001027332893 800792156 /nfs/dbraw/zinc/79/21/56/800792156.db2.gz VTMJIWVKYCFJEV-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001027411101 800795438 /nfs/dbraw/zinc/79/54/38/800795438.db2.gz MFYTWMPOEVNPBP-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C)cc(C)c1 ZINC001028284086 800839358 /nfs/dbraw/zinc/83/93/58/800839358.db2.gz YJIRMAMFXCJZDT-KRWDZBQOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](CNC(=O)c2occc2C(C)C)C1 ZINC001028757925 800851806 /nfs/dbraw/zinc/85/18/06/800851806.db2.gz LFFOFYOGJHSVAP-AWEZNQCLSA-N 1 1 290.407 3.031 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001028788641 800853754 /nfs/dbraw/zinc/85/37/54/800853754.db2.gz NKNWDDHCKLPJJQ-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001028941491 800856371 /nfs/dbraw/zinc/85/63/71/800856371.db2.gz JICPDQUFWRCMDG-BRWVUGGUSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001029009035 800858603 /nfs/dbraw/zinc/85/86/03/800858603.db2.gz MAWGKVOWBGLWON-CVEARBPZSA-N 1 1 292.467 3.217 20 30 CGEDMO C=Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=C)C)cc1 ZINC001029486450 800869855 /nfs/dbraw/zinc/86/98/55/800869855.db2.gz VMJGKHZAWBOHCM-HDICACEKSA-N 1 1 296.414 3.195 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)c2ccccc2CCC)C1 ZINC001030654159 800894322 /nfs/dbraw/zinc/89/43/22/800894322.db2.gz XAEOATGLIGVJAP-UHFFFAOYSA-N 1 1 286.419 3.019 20 30 CGEDMO C=CCC[NH+]1CC(NC(=O)C2CC(C)(C)CC(C)(C)C2)C1 ZINC001030747682 800896349 /nfs/dbraw/zinc/89/63/49/800896349.db2.gz QMHAHFZXBWCJDG-UHFFFAOYSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[NH+]1CC(NC(=O)c2coc3cc(C)c(C)cc23)C1 ZINC001030743234 800896702 /nfs/dbraw/zinc/89/67/02/800896702.db2.gz GHCFNNHGDCDVMD-UHFFFAOYSA-N 1 1 298.386 3.040 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1 ZINC001031052824 800903020 /nfs/dbraw/zinc/90/30/20/800903020.db2.gz OLJPQYQJYMFDRC-KSSFIOAISA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[NH+]1CC(NC(=O)C2CCC(CCCC)CC2)C1 ZINC001031356111 800908895 /nfs/dbraw/zinc/90/88/95/800908895.db2.gz HANDHTQRPKSWKY-UHFFFAOYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@@H](C)CC)CC1 ZINC001032605703 800931441 /nfs/dbraw/zinc/93/14/41/800931441.db2.gz GPEPQQVJORFNHA-JQFCIGGWSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CCCCC1 ZINC001032603534 800932807 /nfs/dbraw/zinc/93/28/07/800932807.db2.gz BZDZCQVHNBZIOP-HOTGVXAUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)C1CCCCC1 ZINC001032680695 800934803 /nfs/dbraw/zinc/93/48/03/800934803.db2.gz QKLBLWQUCSIVIH-PVAVHDDUSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)C1CCCCC1 ZINC001032680695 800934806 /nfs/dbraw/zinc/93/48/06/800934806.db2.gz QKLBLWQUCSIVIH-PVAVHDDUSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)c(C)c1 ZINC001032763663 800936639 /nfs/dbraw/zinc/93/66/39/800936639.db2.gz LJAATNHDBBLJFY-ROUUACIJSA-N 1 1 298.430 3.168 20 30 CGEDMO C=C[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCC)c1ccccc1 ZINC001032797179 800936742 /nfs/dbraw/zinc/93/67/42/800936742.db2.gz MCTPOOIUYMJSND-OKZBNKHCSA-N 1 1 298.430 3.041 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CCC(C)CC1 ZINC001032810780 800937078 /nfs/dbraw/zinc/93/70/78/800937078.db2.gz KLBJLIRFBJTLNJ-LPMVOBIJSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)CC2CCCCC2)C1 ZINC001032889013 800944255 /nfs/dbraw/zinc/94/42/55/800944255.db2.gz SCJJOHDMZKZOAC-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@]2(C)CC=CCC2)C1 ZINC001033108134 800952759 /nfs/dbraw/zinc/95/27/59/800952759.db2.gz PUEMTOFSUKMBEW-SJLPKXTDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2csc(C)c2C)C1 ZINC001033108910 800954831 /nfs/dbraw/zinc/95/48/31/800954831.db2.gz VRWOPTDSUUUFDP-AWEZNQCLSA-N 1 1 292.448 3.087 20 30 CGEDMO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@H+](C[C@@H](C)CC)C2)CC1 ZINC001033389687 800962488 /nfs/dbraw/zinc/96/24/88/800962488.db2.gz SVHOAVKBKJOWRW-WMLDXEAASA-N 1 1 292.467 3.312 20 30 CGEDMO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@H+](C/C=C/Cl)C2)CC1 ZINC001033390004 800963201 /nfs/dbraw/zinc/96/32/01/800963201.db2.gz YKSRWRCSEZRQHT-RUGXIKGKSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](C/C=C/Cl)C2)CC1 ZINC001033390004 800963205 /nfs/dbraw/zinc/96/32/05/800963205.db2.gz YKSRWRCSEZRQHT-RUGXIKGKSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C)c(C)s2)C1 ZINC001033641853 800971838 /nfs/dbraw/zinc/97/18/38/800971838.db2.gz FGCXNQNFOXHJFO-CQSZACIVSA-N 1 1 292.448 3.087 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)C23CCC(CC2)CC3)C1 ZINC001033675548 800973829 /nfs/dbraw/zinc/97/38/29/800973829.db2.gz IXQXAVMNPNUSJO-UPTPFMHGSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(C3CC3)c2)C1 ZINC001033693294 800975900 /nfs/dbraw/zinc/97/59/00/800975900.db2.gz RXTYTDPTLNLVPS-GOSISDBHSA-N 1 1 298.430 3.286 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)C2CCCCCC2)C1 ZINC001033768484 800982428 /nfs/dbraw/zinc/98/24/28/800982428.db2.gz GORFXOLTMWXIKN-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001033950705 800991860 /nfs/dbraw/zinc/99/18/60/800991860.db2.gz QXNDRXACUYIYKK-KRWDZBQOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC23CCC3)C1 ZINC001033973500 800993365 /nfs/dbraw/zinc/99/33/65/800993365.db2.gz ZHJDIDVHBLFLAV-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C=C)cc2)C1 ZINC001033970514 800993509 /nfs/dbraw/zinc/99/35/09/800993509.db2.gz YHEDTYFXWVBPET-GOSISDBHSA-N 1 1 298.430 3.442 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(C)c(C)s2)C1 ZINC001034040100 800995183 /nfs/dbraw/zinc/99/51/83/800995183.db2.gz RPNCAUMCCROEMQ-AWEZNQCLSA-N 1 1 292.448 3.087 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(C)cc(C)c2)C1 ZINC001034025384 800995558 /nfs/dbraw/zinc/99/55/58/800995558.db2.gz HHTMMXPHYPXTSD-QGZVFWFLSA-N 1 1 286.419 3.026 20 30 CGEDMO C=CC[N@H+]1CCCC[C@H](NC(=O)C=C2CCCCC2)C1 ZINC001034127171 801005455 /nfs/dbraw/zinc/00/54/55/801005455.db2.gz IDQSGCYFNXCDLC-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CC[N@H+]1CCCC[C@@H](NC(=O)CC2=CCCCC2)C1 ZINC001034132670 801006425 /nfs/dbraw/zinc/00/64/25/801006425.db2.gz JMXILASIZDDPAV-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001034300974 801016751 /nfs/dbraw/zinc/01/67/51/801016751.db2.gz DGVMHNZRPHESNF-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)C2(C)CCCC2)C1 ZINC001034332972 801018891 /nfs/dbraw/zinc/01/88/91/801018891.db2.gz NDIPHZWTVZWAIK-CQSZACIVSA-N 1 1 298.858 3.290 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)C2(C)CCCC2)C1 ZINC001034332972 801018893 /nfs/dbraw/zinc/01/88/93/801018893.db2.gz NDIPHZWTVZWAIK-CQSZACIVSA-N 1 1 298.858 3.290 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CCCC[N@@H+](CC3CC3)C2)CC1 ZINC001034383454 801023119 /nfs/dbraw/zinc/02/31/19/801023119.db2.gz XXMNFXXANVGAAS-QGZVFWFLSA-N 1 1 290.451 3.114 20 30 CGEDMO C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001034504955 801030944 /nfs/dbraw/zinc/03/09/44/801030944.db2.gz BIYKBOVCKSVEJT-GOSISDBHSA-N 1 1 298.430 3.028 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CCC3CC3)CC[C@H]21 ZINC001036669508 801086407 /nfs/dbraw/zinc/08/64/07/801086407.db2.gz FSFSMUVFCOBZDC-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(Cl)s1 ZINC001038988880 801140148 /nfs/dbraw/zinc/14/01/48/801140148.db2.gz MVZKPIIQRYUSTR-NSHDSACASA-N 1 1 298.839 3.172 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C(C)C)s1 ZINC001039057569 801143996 /nfs/dbraw/zinc/14/39/96/801143996.db2.gz UUMLONJLPQEKQF-ZDUSSCGKSA-N 1 1 292.448 3.252 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)C1CCC(C)(C)CC1 ZINC001039057815 801144496 /nfs/dbraw/zinc/14/44/96/801144496.db2.gz YCXXXZDZAOWTEV-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)C(C)C)CC2)C1 ZINC001039118955 801149443 /nfs/dbraw/zinc/14/94/43/801149443.db2.gz PBIHUVQYGZUOTP-KRWDZBQOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C)C(C)C)CC2)C1 ZINC001039166704 801150483 /nfs/dbraw/zinc/15/04/83/801150483.db2.gz BKIUPOBFAZJICR-RDJZCZTQSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC(C)(C)C)C1 ZINC001039194264 801153713 /nfs/dbraw/zinc/15/37/13/801153713.db2.gz YBSLMHQBZZKEIU-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccs1 ZINC001039327869 801158248 /nfs/dbraw/zinc/15/82/48/801158248.db2.gz LQVHEUFHBYFTKA-KGLIPLIRSA-N 1 1 290.432 3.003 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(C)C ZINC001039380364 801160485 /nfs/dbraw/zinc/16/04/85/801160485.db2.gz UVIKJUCLKKVPID-CVEARBPZSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)CC ZINC001039426743 801161505 /nfs/dbraw/zinc/16/15/05/801161505.db2.gz PTTHOGMPGVXCBU-CABCVRRESA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CCCC1 ZINC001039412557 801161513 /nfs/dbraw/zinc/16/15/13/801161513.db2.gz ZCSYEOSOVROAGS-CVEARBPZSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCF ZINC001039897289 801168387 /nfs/dbraw/zinc/16/83/87/801168387.db2.gz WTUDYJKOARLUGD-HLLBOEOZSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)C3CCCC3)C2)C1 ZINC001040035792 801170079 /nfs/dbraw/zinc/17/00/79/801170079.db2.gz VDXCLIJNAKIIAY-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CC[C@]2(C1)CCC[N@H+](CC)C2 ZINC001040225579 801175714 /nfs/dbraw/zinc/17/57/14/801175714.db2.gz UZZZCVQGKADABF-MRXNPFEDSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@]2(CC[N@@H+](CC(C)C)C2)C1 ZINC001041638670 801193205 /nfs/dbraw/zinc/19/32/05/801193205.db2.gz OQGHKMUHJSOYDK-ROUUACIJSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(C)c3)C[C@@H]21 ZINC001041912295 801197503 /nfs/dbraw/zinc/19/75/03/801197503.db2.gz JIJJIFFBXIQLQN-WMZOPIPTSA-N 1 1 298.430 3.108 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)C3(C)CCCC3)C[C@@H]21 ZINC001042169851 801201378 /nfs/dbraw/zinc/20/13/78/801201378.db2.gz MVFNLGXTCDJKQC-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)C3(CC)CC3)C[C@@H]21 ZINC001042223811 801203977 /nfs/dbraw/zinc/20/39/77/801203977.db2.gz GYLCQESASJKBRM-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(CC)CC)C[C@@H]21 ZINC001042365519 801205327 /nfs/dbraw/zinc/20/53/27/801205327.db2.gz OQRAJRNPAPGPLL-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[NH+]1CC(N(C)C(=O)c2c(C)oc3ccccc32)C1 ZINC001042778426 801213612 /nfs/dbraw/zinc/21/36/12/801213612.db2.gz SMRGWDAKDKIERA-UHFFFAOYSA-N 1 1 298.386 3.074 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@H](C)F ZINC001045827919 801287887 /nfs/dbraw/zinc/28/78/87/801287887.db2.gz WQHBDKFCHRHSJU-KFWWJZLASA-N 1 1 296.430 3.012 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1CC1)C2 ZINC001045906416 801290301 /nfs/dbraw/zinc/29/03/01/801290301.db2.gz YUGCDWCOBBQJJV-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCC)C2 ZINC001045906941 801290742 /nfs/dbraw/zinc/29/07/42/801290742.db2.gz MHCAMGUOZPLUKS-QGZVFWFLSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC1CCC1)C2 ZINC001045924182 801293074 /nfs/dbraw/zinc/29/30/74/801293074.db2.gz GWRPEDCNMWDTRP-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C1(CC)CC1)C2 ZINC001045963201 801297721 /nfs/dbraw/zinc/29/77/21/801297721.db2.gz GSPZMCXREMZDKH-KRWDZBQOSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)C2=CCCCCC2)C1 ZINC001046264496 801305017 /nfs/dbraw/zinc/30/50/17/801305017.db2.gz KMZPKKKRDLJASU-KRWDZBQOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)C2=CCCCCC2)C1 ZINC001046265297 801305037 /nfs/dbraw/zinc/30/50/37/801305037.db2.gz VCCVVAKBZSTJPG-INIZCTEOSA-N 1 1 296.842 3.210 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)C2=CCCCCC2)C1 ZINC001046265297 801305045 /nfs/dbraw/zinc/30/50/45/801305045.db2.gz VCCVVAKBZSTJPG-INIZCTEOSA-N 1 1 296.842 3.210 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2sccc2Cl)C1 ZINC001046335507 801308376 /nfs/dbraw/zinc/30/83/76/801308376.db2.gz AYHJCHNXIWUFFK-AWEZNQCLSA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001046337673 801310739 /nfs/dbraw/zinc/31/07/39/801310739.db2.gz ATORBNSXZKSYAH-FUHWJXTLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001046788221 801323615 /nfs/dbraw/zinc/32/36/15/801323615.db2.gz AMUBHDYNHCTQNA-BQFCYCMXSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)c2cccc(C)c2C)C1 ZINC001046812029 801325926 /nfs/dbraw/zinc/32/59/26/801325926.db2.gz IUYCQVOCIGCTSZ-GOSISDBHSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(CC)cc2)C1 ZINC001046810577 801326394 /nfs/dbraw/zinc/32/63/94/801326394.db2.gz DTCVFGLMYJHQIY-SFHVURJKSA-N 1 1 286.419 3.019 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)c2cc(C)c(C)s2)C1 ZINC001046825969 801328398 /nfs/dbraw/zinc/32/83/98/801328398.db2.gz QQVFNHHTVBHISJ-INIZCTEOSA-N 1 1 292.448 3.135 20 30 CGEDMO C#CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc([C@@H](C)CC)cc2)C1 ZINC001046855290 801328620 /nfs/dbraw/zinc/32/86/20/801328620.db2.gz BOSJFPNWAPRBQQ-KXBFYZLASA-N 1 1 298.430 3.028 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C(C)C)s2)C1 ZINC001046859990 801331425 /nfs/dbraw/zinc/33/14/25/801331425.db2.gz ALLVCOYWFDWHCU-INIZCTEOSA-N 1 1 292.448 3.252 20 30 CGEDMO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CCCC1)C2 ZINC001048516497 801350856 /nfs/dbraw/zinc/35/08/56/801350856.db2.gz ZXRLNTASETXTGT-ACHSLPGTSA-N 1 1 288.435 3.032 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cccs1 ZINC001049303867 801362443 /nfs/dbraw/zinc/36/24/43/801362443.db2.gz WGWPDLZQWGPOFC-KGLIPLIRSA-N 1 1 290.432 3.003 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1C ZINC001049305425 801362819 /nfs/dbraw/zinc/36/28/19/801362819.db2.gz ZSHZRLTXWBBOHW-QZTJIDSGSA-N 1 1 298.430 3.250 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccsc1 ZINC001049310605 801365775 /nfs/dbraw/zinc/36/57/75/801365775.db2.gz ZFHFSKUJSLJLGY-HUUCEWRRSA-N 1 1 290.432 3.003 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC1CCC1 ZINC001049403188 801369383 /nfs/dbraw/zinc/36/93/83/801369383.db2.gz XXOFREGZJNPTEM-IRXDYDNUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC(C)(C)C1 ZINC001049454566 801373037 /nfs/dbraw/zinc/37/30/37/801373037.db2.gz QENFLVWSMYWGHH-CVEARBPZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1=CCCCCC1 ZINC001049446640 801373265 /nfs/dbraw/zinc/37/32/65/801373265.db2.gz YAWDXHSGCOVNBH-DLBZAZTESA-N 1 1 288.435 3.128 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCCC1(C)C ZINC001049659920 801381664 /nfs/dbraw/zinc/38/16/64/801381664.db2.gz VBHWICKJLRZBKM-ARFHVFGLSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)CC ZINC001049693206 801384972 /nfs/dbraw/zinc/38/49/72/801384972.db2.gz XFEDJVLGYNNXMY-HOTGVXAUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(C=C)cc1 ZINC001049743462 801387428 /nfs/dbraw/zinc/38/74/28/801387428.db2.gz PWQBQIQRSUXLAP-QZTJIDSGSA-N 1 1 296.414 3.195 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C)cc1C ZINC001049878638 801390472 /nfs/dbraw/zinc/39/04/72/801390472.db2.gz YZQDRXAUINQHND-ROUUACIJSA-N 1 1 298.430 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(C)ccc1C ZINC001049862556 801390985 /nfs/dbraw/zinc/39/09/85/801390985.db2.gz IOFQQVCTLHCQGU-ZWKOTPCHSA-N 1 1 298.430 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(C)cc(C)c1 ZINC001049863198 801391597 /nfs/dbraw/zinc/39/15/97/801391597.db2.gz LSUSDIKXXNKXGV-ROUUACIJSA-N 1 1 298.430 3.168 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2CCCN(C(=O)c3ccc(C=C)cc3)[C@@H]2C1 ZINC001050148095 801400500 /nfs/dbraw/zinc/40/05/00/801400500.db2.gz YGXKVXLSOAUCAE-ZWKOTPCHSA-N 1 1 296.414 3.052 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2cccs2)CC1 ZINC001052171984 801421776 /nfs/dbraw/zinc/42/17/76/801421776.db2.gz RQLLFQFNDGHSGH-LBPRGKRZSA-N 1 1 298.839 3.085 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2cccs2)CC1 ZINC001052171984 801421779 /nfs/dbraw/zinc/42/17/79/801421779.db2.gz RQLLFQFNDGHSGH-LBPRGKRZSA-N 1 1 298.839 3.085 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2)CC1 ZINC001052169318 801423305 /nfs/dbraw/zinc/42/33/05/801423305.db2.gz LBRXSGPKPVFOHS-QGZVFWFLSA-N 1 1 286.419 3.237 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)c2ccsc2)CC1 ZINC001052179894 801425042 /nfs/dbraw/zinc/42/50/42/801425042.db2.gz QNUBSNSAJYCQOB-ZDUSSCGKSA-N 1 1 298.839 3.085 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccsc2)CC1 ZINC001052179894 801425046 /nfs/dbraw/zinc/42/50/46/801425046.db2.gz QNUBSNSAJYCQOB-ZDUSSCGKSA-N 1 1 298.839 3.085 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)CC2CCC2)CC1 ZINC001052276586 801429316 /nfs/dbraw/zinc/42/93/16/801429316.db2.gz HBXUUDVTGMOVLM-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2coc(C)c2)CC1 ZINC001052336164 801430513 /nfs/dbraw/zinc/43/05/13/801430513.db2.gz LIJLFIOPCZGHMO-MRXNPFEDSA-N 1 1 290.407 3.139 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)C(C)=C2CCC2)CC1 ZINC001052370186 801432465 /nfs/dbraw/zinc/43/24/65/801432465.db2.gz ZFRPTMGPZAPCAO-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@]2(C)CC=CCC2)CC1 ZINC001052412114 801434372 /nfs/dbraw/zinc/43/43/72/801434372.db2.gz PVEGCFKEYPENEB-AEFFLSMTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)CC1 ZINC001052409865 801434453 /nfs/dbraw/zinc/43/44/53/801434453.db2.gz PRJIXVYTTMLPOZ-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)C2CCC2)CC1 ZINC001052483166 801436309 /nfs/dbraw/zinc/43/63/09/801436309.db2.gz FAYKWVXQEZGNRC-ZFWWWQNUSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC)s2)CC1 ZINC001052534773 801439194 /nfs/dbraw/zinc/43/91/94/801439194.db2.gz NOHAAGNLTBQWQY-ZDUSSCGKSA-N 1 1 292.448 3.081 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CC)CC1 ZINC001052664674 801444680 /nfs/dbraw/zinc/44/46/80/801444680.db2.gz OYWYRGLKBMLLDR-INIZCTEOSA-N 1 1 286.419 3.019 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC001052686338 801446977 /nfs/dbraw/zinc/44/69/77/801446977.db2.gz JARKNPIYABLIGD-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](CC3CCC3)CC2)C1 ZINC001052692350 801447244 /nfs/dbraw/zinc/44/72/44/801447244.db2.gz ALQCHZCFBOANEW-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC23CCC3)CC1 ZINC001052755981 801451914 /nfs/dbraw/zinc/45/19/14/801451914.db2.gz ZLBGMYUVACHLTC-HOTGVXAUSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C)cc2)CC1 ZINC001052891556 801455551 /nfs/dbraw/zinc/45/55/51/801455551.db2.gz WJKMOIKIPJYYCY-QGZVFWFLSA-N 1 1 286.419 3.155 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C2CC(C(C)(C)C)C2)CC1 ZINC001052969911 801460543 /nfs/dbraw/zinc/46/05/43/801460543.db2.gz XHLCINNEQFGURX-GPANFISMSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC1(C)CC1)C2 ZINC001054165940 801475627 /nfs/dbraw/zinc/47/56/27/801475627.db2.gz QRJNEPIQPBIFHM-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1(CC)CCC1)C2 ZINC001054179682 801477156 /nfs/dbraw/zinc/47/71/56/801477156.db2.gz FQFXIWBJPNBLLL-KRWDZBQOSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@]2(CC[N@H+](CC(=C)C)C2)C1 ZINC001054175453 801477326 /nfs/dbraw/zinc/47/73/26/801477326.db2.gz NLYFAUXGXSIGLU-GOSISDBHSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@]2(CC[N@H+](CC(C)C)C2)C1 ZINC001054175481 801477646 /nfs/dbraw/zinc/47/76/46/801477646.db2.gz OGIXIUSDEVDJLJ-GOSISDBHSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CC[C@@H](C)C3)cc2C1 ZINC001054284924 801483187 /nfs/dbraw/zinc/48/31/87/801483187.db2.gz LGFDXKLZGPVCMQ-GDBMZVCRSA-N 1 1 298.430 3.241 20 30 CGEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CC[C@@H](C)C3)cc2C1 ZINC001054284924 801483192 /nfs/dbraw/zinc/48/31/92/801483192.db2.gz LGFDXKLZGPVCMQ-GDBMZVCRSA-N 1 1 298.430 3.241 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2cccs2)CC[C@@H]1C ZINC001071330818 801527840 /nfs/dbraw/zinc/52/78/40/801527840.db2.gz XYAFHQZPHRNQRA-UONOGXRCSA-N 1 1 292.448 3.297 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)o2)CC[C@H]1C ZINC001071332539 801528437 /nfs/dbraw/zinc/52/84/37/801528437.db2.gz SFVHOSPUSGBCPF-HIFRSBDPSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2ccc(Cl)o2)CC[C@@H]1C ZINC001071351891 801531514 /nfs/dbraw/zinc/53/15/14/801531514.db2.gz JRCNUVDXDCDXHO-NWDGAFQWSA-N 1 1 296.798 3.092 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)CC2=CCCCC2)CC[C@H]1C ZINC001071391748 801532623 /nfs/dbraw/zinc/53/26/23/801532623.db2.gz MULBESFBUHARQP-GDBMZVCRSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2c(C)coc2C)CC[C@@H]1C ZINC001071478823 801539500 /nfs/dbraw/zinc/53/95/00/801539500.db2.gz YWZXPLCNDNRYFP-DZGCQCFKSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C(C)=C2CCC2)CC[C@@H]1C ZINC001071489063 801541327 /nfs/dbraw/zinc/54/13/27/801541327.db2.gz ZAZSDSZSVYMGAW-BBRMVZONSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C2CCCC2)CC[C@@H]1C ZINC001071574909 801543645 /nfs/dbraw/zinc/54/36/45/801543645.db2.gz QZLDCJUZAMHWSY-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)C2(F)CCCC2)CC[C@H]1C ZINC001071623745 801545455 /nfs/dbraw/zinc/54/54/55/801545455.db2.gz BPFIVPMNVXBXKM-HUUCEWRRSA-N 1 1 296.430 3.204 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C2CC2)CC[C@@H]1C ZINC001071757893 801548890 /nfs/dbraw/zinc/54/88/90/801548890.db2.gz WHWGERAHOWDUTR-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)CC2CC(C)(C)C2)CC[C@H]1C ZINC001071761891 801549188 /nfs/dbraw/zinc/54/91/88/801549188.db2.gz FEMXVTWVIADLON-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)c2cc(Cl)cs2)CC[C@H]1C ZINC001071868214 801556070 /nfs/dbraw/zinc/55/60/70/801556070.db2.gz HUOUVQQPIYIJDU-ZYHUDNBSSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2cc(Cl)cs2)CC[C@H]1C ZINC001071868214 801556076 /nfs/dbraw/zinc/55/60/76/801556076.db2.gz HUOUVQQPIYIJDU-ZYHUDNBSSA-N 1 1 298.839 3.170 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C2(F)CCCCC2)CC[C@H]1C ZINC001071963056 801556394 /nfs/dbraw/zinc/55/63/94/801556394.db2.gz DEKXXQLTMFFZAT-CABCVRRESA-N 1 1 296.430 3.204 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C2CCC=CCC2)CC[C@H]1C ZINC001072078672 801563497 /nfs/dbraw/zinc/56/34/97/801563497.db2.gz JUADRAALEQNJPJ-NVXWUHKLSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2coc3ccccc23)CC[C@H]1C ZINC001072119826 801565430 /nfs/dbraw/zinc/56/54/30/801565430.db2.gz KKGDIKGVKFEDJZ-ZIAGYGMSSA-N 1 1 298.386 3.202 20 30 CGEDMO C=C(C)CC[N@H+]1CCC2(CN(C(=O)CC3CCCC3)C2)C1 ZINC001072416472 801571838 /nfs/dbraw/zinc/57/18/38/801571838.db2.gz JRPDIKAKOVKHAK-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CC[N@H+](C[C@@H](C)CC)C2 ZINC001072944577 801574829 /nfs/dbraw/zinc/57/48/29/801574829.db2.gz GTHMQPRWWNUKSU-RDJZCZTQSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CC[N@H+](C[C@H](C)CC)C2 ZINC001072944578 801575500 /nfs/dbraw/zinc/57/55/00/801575500.db2.gz GTHMQPRWWNUKSU-WBVHZDCISA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+]1CCC2(CN(C(=O)CC3CCCCCC3)C2)C1 ZINC001073016362 801577782 /nfs/dbraw/zinc/57/77/82/801577782.db2.gz VNNQYUIMEXMYSP-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001079751480 801647939 /nfs/dbraw/zinc/64/79/39/801647939.db2.gz XMKDGGWDXVQBGX-IXDOHACOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(C(C)C)c3)[C@@H]2C1 ZINC001084755512 801669466 /nfs/dbraw/zinc/66/94/66/801669466.db2.gz ACYJEPQONWXYHV-QZTJIDSGSA-N 1 1 298.430 3.142 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[N@@H+](CC=C(C)C)C[C@H]21 ZINC001084635392 801669787 /nfs/dbraw/zinc/66/97/87/801669787.db2.gz YJZJGMSQRGCHAZ-JFIYKMOQSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2CN(C(=O)CC3CCCCCC3)[C@@H]2C1 ZINC001084687653 801670340 /nfs/dbraw/zinc/67/03/40/801670340.db2.gz NWCOZQZQYOWBGM-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C)cc3C)[C@@H]2C1 ZINC001084808292 801672818 /nfs/dbraw/zinc/67/28/18/801672818.db2.gz HULZJPQNFVVFAH-SJLPKXTDSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CCCCCC1 ZINC001085510290 801691459 /nfs/dbraw/zinc/69/14/59/801691459.db2.gz QXBALNUBJLMIGG-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CCC2(CC2)CC1 ZINC001085727863 801700056 /nfs/dbraw/zinc/70/00/56/801700056.db2.gz KEUNZRYXYUZINQ-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)sc1C ZINC001085705340 801700175 /nfs/dbraw/zinc/70/01/75/801700175.db2.gz MXRVXGYBZUTONO-AWEZNQCLSA-N 1 1 292.448 3.087 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1occc1C(C)C ZINC001085780622 801703236 /nfs/dbraw/zinc/70/32/36/801703236.db2.gz YIVBUIJJHGRSGS-AWEZNQCLSA-N 1 1 290.407 3.125 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCCC1(C)C ZINC001085991022 801715486 /nfs/dbraw/zinc/71/54/86/801715486.db2.gz CWXVPMWKAJVSDE-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1sccc1C(C)C ZINC001085983770 801716553 /nfs/dbraw/zinc/71/65/53/801716553.db2.gz OSEYNAFRRGDBCD-ZDUSSCGKSA-N 1 1 292.448 3.204 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1sccc1C(C)C ZINC001085983770 801716562 /nfs/dbraw/zinc/71/65/62/801716562.db2.gz OSEYNAFRRGDBCD-ZDUSSCGKSA-N 1 1 292.448 3.204 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccccc2)[C@H]1CC ZINC001087489415 801750839 /nfs/dbraw/zinc/75/08/39/801750839.db2.gz XHZWLMOLWFAOJI-LSDHHAIUSA-N 1 1 292.810 3.022 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2)[C@H]1CC ZINC001087489415 801750845 /nfs/dbraw/zinc/75/08/45/801750845.db2.gz XHZWLMOLWFAOJI-LSDHHAIUSA-N 1 1 292.810 3.022 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cc(C)co2)[C@H]1CC ZINC001087694339 801763377 /nfs/dbraw/zinc/76/33/77/801763377.db2.gz XGEAFFJGJXTSMG-LSDHHAIUSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)[C@H]1CC ZINC001087717221 801764122 /nfs/dbraw/zinc/76/41/22/801764122.db2.gz WMLUGYIUAOFFDQ-OWCLPIDISA-N 1 1 292.467 3.358 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CCCC)[C@@H]2CC)C1 ZINC001087718548 801766134 /nfs/dbraw/zinc/76/61/34/801766134.db2.gz VDAMXYXTJILBGD-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC(C)(C)C2)[C@H]1CC ZINC001087843900 801770221 /nfs/dbraw/zinc/77/02/21/801770221.db2.gz WFKTZWPZHWOVOI-OWCLPIDISA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C(CC)CC)C[C@@H]2C1 ZINC001087890719 801771216 /nfs/dbraw/zinc/77/12/16/801771216.db2.gz VCUZFFKYKIIKNC-SJORKVTESA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C=C2CCCCC2)[C@H]1C ZINC001088483307 801795929 /nfs/dbraw/zinc/79/59/29/801795929.db2.gz ZWWXOQZNFHVIOO-HIFRSBDPSA-N 1 1 296.842 3.208 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C=C2CCCCC2)[C@H]1C ZINC001088483307 801795933 /nfs/dbraw/zinc/79/59/33/801795933.db2.gz ZWWXOQZNFHVIOO-HIFRSBDPSA-N 1 1 296.842 3.208 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@]23C[C@@H]2CCCC3)[C@H]1C ZINC001088844976 801811981 /nfs/dbraw/zinc/81/19/81/801811981.db2.gz JAJFTQUQBPXDAO-CVYDXHPNSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)CC2CCCCCC2)[C@H]1C ZINC001088885858 801813749 /nfs/dbraw/zinc/81/37/49/801813749.db2.gz RPHKTITUCJPDOM-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(Cl)c2)[C@H]1C ZINC001088999096 801815490 /nfs/dbraw/zinc/81/54/90/801815490.db2.gz HFJLZHNIIYSNAD-DOMZBBRYSA-N 1 1 292.810 3.109 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2Cl)[C@H]1C ZINC001088996976 801816990 /nfs/dbraw/zinc/81/69/90/801816990.db2.gz SUNQLRSCWNDBPM-DOMZBBRYSA-N 1 1 292.810 3.109 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC2(C)C)CC(C)(C)C1 ZINC001089464923 801839429 /nfs/dbraw/zinc/83/94/29/801839429.db2.gz MFGUWDGJZQRDPZ-CABCVRRESA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccsc1 ZINC001089606758 801846134 /nfs/dbraw/zinc/84/61/34/801846134.db2.gz AEOFMCOPHCABJJ-CQSZACIVSA-N 1 1 292.448 3.155 20 30 CGEDMO C=C(C)C[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC)CC1 ZINC001093346083 801866217 /nfs/dbraw/zinc/86/62/17/801866217.db2.gz WUOAPTFMCISRPC-KRWDZBQOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)C3=CCCC3)CCC[C@@H]12 ZINC001094390910 801871355 /nfs/dbraw/zinc/87/13/55/801871355.db2.gz ATDMMVYVTKJQHN-SJLPKXTDSA-N 1 1 288.435 3.034 20 30 CGEDMO C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C=C(C)C ZINC001098880932 801918581 /nfs/dbraw/zinc/91/85/81/801918581.db2.gz UNVSSBPNMBAXCC-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC[C@@H](C)F ZINC001098966654 801921572 /nfs/dbraw/zinc/92/15/72/801921572.db2.gz SBWZFMQKGQHBOK-CABCVRRESA-N 1 1 298.446 3.308 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H](C)CC ZINC001099038276 801926078 /nfs/dbraw/zinc/92/60/78/801926078.db2.gz DXTFMERGEXSRRO-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H](C)CC ZINC001099038943 801926320 /nfs/dbraw/zinc/92/63/20/801926320.db2.gz QHKILJYIGMHSBF-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC(C)(C)CC ZINC001099085765 801928962 /nfs/dbraw/zinc/92/89/62/801928962.db2.gz SRCBDNQADMJQOC-HNNXBMFYSA-N 1 1 292.467 3.053 20 30 CGEDMO CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C#CC(C)C ZINC001099065305 801928991 /nfs/dbraw/zinc/92/89/91/801928991.db2.gz OWAZUMABKWSNCI-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC(C)C ZINC001099169991 801930516 /nfs/dbraw/zinc/93/05/16/801930516.db2.gz BQVJRALNAYOYFP-HNNXBMFYSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](F)C(C)C ZINC001099189470 801931515 /nfs/dbraw/zinc/93/15/15/801931515.db2.gz SACNGSGHMLHKOK-HUUCEWRRSA-N 1 1 298.446 3.163 20 30 CGEDMO C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](F)CC ZINC001099174778 801931924 /nfs/dbraw/zinc/93/19/24/801931924.db2.gz BVXCBDHLLFNPFW-GJZGRUSLSA-N 1 1 298.446 3.308 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC ZINC001099189653 801932215 /nfs/dbraw/zinc/93/22/15/801932215.db2.gz VMEVFZOHEYDURF-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)CCC ZINC001099208427 801934463 /nfs/dbraw/zinc/93/44/63/801934463.db2.gz RENRAVYJANWWRB-HNNXBMFYSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)C ZINC001099316026 801936500 /nfs/dbraw/zinc/93/65/00/801936500.db2.gz KIBNJXGNCFFZHF-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC(CC)CC ZINC001099286262 801936856 /nfs/dbraw/zinc/93/68/56/801936856.db2.gz SGPJJVHMCUECNP-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)CCC(C)C)C[C@]2(C)C1 ZINC001101122586 801971148 /nfs/dbraw/zinc/97/11/48/801971148.db2.gz NZUVUJYQQLJWER-AEFFLSMTSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC(=O)N1C[C@H]2C[N@H+]([C@@H](C)CCC=C)C[C@@]2(C)C1 ZINC001101167370 801973512 /nfs/dbraw/zinc/97/35/12/801973512.db2.gz AGGRSIXZZJEOIQ-JZXOWHBKSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)/C=C(/C)CC)C[C@]2(C)C1 ZINC001101228099 801975883 /nfs/dbraw/zinc/97/58/83/801975883.db2.gz OIBDNVUGFJBESC-WRLNUHKLSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](CC)CCC)C[C@]2(C)C1 ZINC001101405503 801977721 /nfs/dbraw/zinc/97/77/21/801977721.db2.gz BJYBZZKYELXUQQ-NUJGCVRESA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C)CC(C)C)C[C@]2(C)C1 ZINC001101407040 801977788 /nfs/dbraw/zinc/97/77/88/801977788.db2.gz OBUWYBDLLRORTE-NUJGCVRESA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](CC)CCC)C[C@]2(C)C1 ZINC001101405564 801978217 /nfs/dbraw/zinc/97/82/17/801978217.db2.gz FAVWMWUXCIYBMQ-NUJGCVRESA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)C)C[C@]2(C)C1 ZINC001101440882 801979545 /nfs/dbraw/zinc/97/95/45/801979545.db2.gz YYILSURONDWBAQ-RKVPGOIHSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H](C)CC(C)C)C[C@]2(C)C1 ZINC001101426805 801979649 /nfs/dbraw/zinc/97/96/49/801979649.db2.gz ZDISHYULUAGHEJ-JZXOWHBKSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)/C(C)=C/CC)[C@H](C)C1 ZINC001101778979 801990383 /nfs/dbraw/zinc/99/03/83/801990383.db2.gz GFUWBNGMEHDKMU-GTEYJNKRSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCC(CC=C)C(=O)NC[C@@H]1C[N@@H+](CCCC)C[C@H]1C ZINC001101998030 801997547 /nfs/dbraw/zinc/99/75/47/801997547.db2.gz RGMQMKMEZZGBEN-NVXWUHKLSA-N 1 1 292.467 3.239 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](F)CC)C[C@H]1C ZINC001102006893 801997590 /nfs/dbraw/zinc/99/75/90/801997590.db2.gz ZJICMPYALDJEGO-KFWWJZLASA-N 1 1 298.446 3.021 20 30 CGEDMO C#CCCCCCC(=O)NC[C@@H]1C[N@@H+](CCCC)C[C@H]1C ZINC001102228781 801999621 /nfs/dbraw/zinc/99/96/21/801999621.db2.gz KYKLRQOVEGCKLJ-IAGOWNOFSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2C)[C@H](C)C1 ZINC001102224335 802000820 /nfs/dbraw/zinc/00/08/20/802000820.db2.gz DCRHFCDEDKHNFD-QBPKDAKJSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)C(CC)CC)[C@H](C)C1 ZINC001102108609 802001063 /nfs/dbraw/zinc/00/10/63/802001063.db2.gz ULOQIOHNXUPZCC-HLLBOEOZSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC2(C)C)[C@H](C)C1 ZINC001102250750 802002475 /nfs/dbraw/zinc/00/24/75/802002475.db2.gz IZIGLYXBZRNSMG-OAGGEKHMSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NC[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1C ZINC001102262985 802004055 /nfs/dbraw/zinc/00/40/55/802004055.db2.gz RHRJVZXJADVXJY-IXSDQNLNSA-N 1 1 298.858 3.025 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H](F)CCCCCC)[C@H](C)C1 ZINC001102512721 802011002 /nfs/dbraw/zinc/01/10/02/802011002.db2.gz ZSEHYXBCPARFHI-BZUAXINKSA-N 1 1 298.446 3.165 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)CCCCC)[C@H](C)C1 ZINC001102591179 802012672 /nfs/dbraw/zinc/01/26/72/802012672.db2.gz ZFIGYJOWIHAAJK-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC(C)C)C1 ZINC001102654567 802017779 /nfs/dbraw/zinc/01/77/79/802017779.db2.gz QBHLRCATZLCVRM-IAGOWNOFSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)CC)C1 ZINC001102682939 802017947 /nfs/dbraw/zinc/01/79/47/802017947.db2.gz MBEIDJLVJPVWMQ-BZUAXINKSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCC(=O)NCC[C@@H]1C[N@@H+](CCCC(C)C)C[C@H]1C ZINC001102762134 802018901 /nfs/dbraw/zinc/01/89/01/802018901.db2.gz OTMRVSQEAYGVPM-IAGOWNOFSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC(C)C)C1 ZINC001103461399 802034987 /nfs/dbraw/zinc/03/49/87/802034987.db2.gz AXBYUUWHLWGXTD-IAGOWNOFSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@]2(CNC(=O)CC3CC3)CCC[C@@H]12 ZINC001107258317 802084567 /nfs/dbraw/zinc/08/45/67/802084567.db2.gz DJBJAHRQLFQSQG-SJLPKXTDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@]2(CNC(=O)C3(C)CC3)CCC[C@@H]12 ZINC001107416707 802087365 /nfs/dbraw/zinc/08/73/65/802087365.db2.gz RALCDTRSUGFDFF-CRAIPNDOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCC)CC3)C1 ZINC001107543745 802089104 /nfs/dbraw/zinc/08/91/04/802089104.db2.gz WUAKCDKZEJBMMJ-CRAIPNDOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)CC(C)=C(C)C)CCC[C@@H]12 ZINC001107506551 802090532 /nfs/dbraw/zinc/09/05/32/802090532.db2.gz JTJSQHPLTSFHML-SJLPKXTDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C)C2 ZINC001108874762 802101992 /nfs/dbraw/zinc/10/19/92/802101992.db2.gz HEHRSQVIGHQMOG-NJAFHUGGSA-N 1 1 298.430 3.296 20 30 CGEDMO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(C)(C)C1 ZINC001109054977 802106296 /nfs/dbraw/zinc/10/62/96/802106296.db2.gz IRNQRHOJECFEGP-PMPSAXMXSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C1CCC1)C2 ZINC001109439194 802115432 /nfs/dbraw/zinc/11/54/32/802115432.db2.gz RRIYCMAEYNUAFX-SIXLDLHFSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[C@@H]1C)C2 ZINC001109605523 802118009 /nfs/dbraw/zinc/11/80/09/802118009.db2.gz GKEQLYQYKLXXDL-QEOTZNIISA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(C)=C(C)C)C2 ZINC001109611301 802118443 /nfs/dbraw/zinc/11/84/43/802118443.db2.gz CSZFPAOJPPPTPA-IKGGRYGDSA-N 1 1 290.451 3.421 20 30 CGEDMO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCF)C2 ZINC001109613523 802118658 /nfs/dbraw/zinc/11/86/58/802118658.db2.gz FVFDZVUXWMNWOL-PMPSAXMXSA-N 1 1 296.430 3.204 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC ZINC001109634752 802120343 /nfs/dbraw/zinc/12/03/43/802120343.db2.gz WFJAGMZLSJRCEF-WCVJEAGWSA-N 1 1 278.440 3.110 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1 ZINC001109632802 802120922 /nfs/dbraw/zinc/12/09/22/802120922.db2.gz DBXVZAALJINIMF-ORQFMDKSSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CC(=C)C)C2 ZINC001109633385 802121209 /nfs/dbraw/zinc/12/12/09/802121209.db2.gz ZBPILWWSBJXCBN-NCOADZHNSA-N 1 1 290.451 3.276 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)CC(C)(C)C)C2 ZINC001109804602 802125781 /nfs/dbraw/zinc/12/57/81/802125781.db2.gz VWCODURXPWJYQQ-FZKCQIBNSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@](C)(CC)CCC)C2 ZINC001109890373 802126402 /nfs/dbraw/zinc/12/64/02/802126402.db2.gz TXJWUBKXMFPLGI-WBTNSWJXSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC1(C)CC1)C2 ZINC001109926118 802126758 /nfs/dbraw/zinc/12/67/58/802126758.db2.gz TZDINUMOHUMLRS-PMPSAXMXSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCCCC)C2 ZINC001110057922 802129097 /nfs/dbraw/zinc/12/90/97/802129097.db2.gz OILOZEOHGGYQKE-PMPSAXMXSA-N 1 1 278.440 3.254 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1)C2 ZINC001110239373 802133267 /nfs/dbraw/zinc/13/32/67/802133267.db2.gz YJQZUNJKWUVQND-DDBAPUKQSA-N 1 1 298.430 3.376 20 30 CGEDMO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC)C2 ZINC001110243187 802134011 /nfs/dbraw/zinc/13/40/11/802134011.db2.gz MJVFWCFANUCKRH-OAGGEKHMSA-N 1 1 278.440 3.254 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)C(C)C)C2 ZINC001110381766 802137539 /nfs/dbraw/zinc/13/75/39/802137539.db2.gz VOHZXLRYTVTJDV-HZMVEIRTSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC/C=C\CC ZINC001110378651 802139216 /nfs/dbraw/zinc/13/92/16/802139216.db2.gz AJKJJXNJNHUHDQ-KBVIYHELSA-N 1 1 276.424 3.030 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C=C1CCC1)C2 ZINC001110434472 802143220 /nfs/dbraw/zinc/14/32/20/802143220.db2.gz XCUFFHHBHIDTQV-DZUCGIPZSA-N 1 1 288.435 3.173 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)/C=C(\C)CC)C2 ZINC001110535598 802144817 /nfs/dbraw/zinc/14/48/17/802144817.db2.gz RQWYMLRADTWZKW-AMJKVUJPSA-N 1 1 290.451 3.419 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C(C)C)C2 ZINC001110597842 802144826 /nfs/dbraw/zinc/14/48/26/802144826.db2.gz OVZYQONQXQCRRA-OAGGEKHMSA-N 1 1 292.467 3.356 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C(CC)CC)C2 ZINC001110748394 802147510 /nfs/dbraw/zinc/14/75/10/802147510.db2.gz ATIBXKYFPUPLHD-DZUCGIPZSA-N 1 1 292.467 3.356 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C\Cl ZINC001110934697 802150649 /nfs/dbraw/zinc/15/06/49/802150649.db2.gz KZLXVFZPINWFQY-HRDYKDLWSA-N 1 1 296.842 3.063 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C/C=C\Cl ZINC001110934697 802150654 /nfs/dbraw/zinc/15/06/54/802150654.db2.gz KZLXVFZPINWFQY-HRDYKDLWSA-N 1 1 296.842 3.063 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)CC(=C)C)C2 ZINC001110934601 802150827 /nfs/dbraw/zinc/15/08/27/802150827.db2.gz JIHAKIRPFICMMT-HZMVEIRTSA-N 1 1 290.451 3.276 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=C)C)CCC1 ZINC001110987535 802153338 /nfs/dbraw/zinc/15/33/38/802153338.db2.gz SNKQKZJZANAOEX-OAGGEKHMSA-N 1 1 288.435 3.030 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC)C1 ZINC001111557908 802160355 /nfs/dbraw/zinc/16/03/55/802160355.db2.gz SBRRAWRSFHFXFK-RDJZCZTQSA-N 1 1 280.456 3.338 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)CCC)C1 ZINC001111673129 802166348 /nfs/dbraw/zinc/16/63/48/802166348.db2.gz YTZIQNSFWMMJMR-INWMFGNUSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)CCC)C1 ZINC001111673129 802166355 /nfs/dbraw/zinc/16/63/55/802166355.db2.gz YTZIQNSFWMMJMR-INWMFGNUSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCCC(C)C)C1 ZINC001111905967 802170279 /nfs/dbraw/zinc/17/02/79/802170279.db2.gz OOABHNINFMYGNV-WMZOPIPTSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[NH+](CC/C=C\CCC)CC1 ZINC001113388906 802218188 /nfs/dbraw/zinc/21/81/88/802218188.db2.gz XVZCWRGNJQBODE-HJWRWDBZSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCCC[NH+]1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC001113607621 802230722 /nfs/dbraw/zinc/23/07/22/802230722.db2.gz JRAYJAGGQUEOAQ-UHFFFAOYSA-N 1 1 298.839 3.126 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)CCCC ZINC001113909906 802236338 /nfs/dbraw/zinc/23/63/38/802236338.db2.gz CTVKYVRHARBEAK-MWDXBVQZSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21 ZINC001114894693 802247447 /nfs/dbraw/zinc/24/74/47/802247447.db2.gz KDCVDUAPUCPFQV-FICVDOATSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCCCC(C)C ZINC001114937539 802247983 /nfs/dbraw/zinc/24/79/83/802247983.db2.gz NWPFAQZSHIEDHN-VQFNDLOPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)CCCCC ZINC001114935250 802248269 /nfs/dbraw/zinc/24/82/69/802248269.db2.gz NDGAKUKAYQFXHX-LISAXSMJSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCCCC(C)C ZINC001114933554 802248534 /nfs/dbraw/zinc/24/85/34/802248534.db2.gz YBTQPXXAUMJULN-VQFNDLOPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](CCCc2ccc(C)cc2)C1 ZINC001116541591 802375254 /nfs/dbraw/zinc/37/52/54/802375254.db2.gz JRHHCGPIALLZAF-QGZVFWFLSA-N 1 1 259.393 3.205 20 30 CGEDMO C=C[C@H](COC)[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC001116643104 802390340 /nfs/dbraw/zinc/39/03/40/802390340.db2.gz JAXGBHFSZFBOFP-MWLCHTKSSA-N 1 1 257.736 3.331 20 30 CGEDMO C=CCn1c(C)cc(C(=O)COc2cc[nH+]c(C)c2)c1C ZINC001116895476 802425851 /nfs/dbraw/zinc/42/58/51/802425851.db2.gz CYQNOYSROTWNIL-UHFFFAOYSA-N 1 1 284.359 3.256 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CC[C@@](CF)(C(F)(F)F)C1 ZINC001172491144 808351088 /nfs/dbraw/zinc/35/10/88/808351088.db2.gz CCZFQNKYZYCUFH-QWRGUYRKSA-N 1 1 266.282 3.293 20 30 CGEDMO CCCCCCC[C@@H](CCC)N1CCO[C@@H](C[NH3+])C1 ZINC001172501864 808356920 /nfs/dbraw/zinc/35/69/20/808356920.db2.gz LMLOLFSGYVURIR-CVEARBPZSA-N 1 1 270.461 3.175 20 30 CGEDMO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCCC1CCCC1 ZINC001273101361 808833230 /nfs/dbraw/zinc/83/32/30/808833230.db2.gz SHYVOXRQQKNQMB-IAGOWNOFSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C[C@@H](COC)[NH2+][C@H]1CCc2ccc(F)c(Cl)c21 ZINC001118310665 802548301 /nfs/dbraw/zinc/54/83/01/802548301.db2.gz UXGXGUIISAPRLC-JQWIXIFHSA-N 1 1 269.747 3.257 20 30 CGEDMO CCC[C@@H](C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccccc1 ZINC001119515620 802674896 /nfs/dbraw/zinc/67/48/96/802674896.db2.gz IKYLYLSZUFRKNR-SCTDSRPQSA-N 1 1 299.462 3.488 20 30 CGEDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2c2ccc(C#N)cc2Cl)C1 ZINC001119947002 802712651 /nfs/dbraw/zinc/71/26/51/802712651.db2.gz JYQHXIRSISYWBJ-UKRRQHHQSA-N 1 1 289.810 3.132 20 30 CGEDMO CCOc1ccc(C[N@H+](C)Cc2cccc(C#N)c2)o1 ZINC001120013528 802725442 /nfs/dbraw/zinc/72/54/42/802725442.db2.gz AHDNBZGLRYFPNF-UHFFFAOYSA-N 1 1 270.332 3.182 20 30 CGEDMO CCOc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)o1 ZINC001120013528 802725446 /nfs/dbraw/zinc/72/54/46/802725446.db2.gz AHDNBZGLRYFPNF-UHFFFAOYSA-N 1 1 270.332 3.182 20 30 CGEDMO C=CC[C@@H]([NH2+][C@H]1CCCC(C)(C)CC1)C(=O)OCC ZINC001181454825 810053519 /nfs/dbraw/zinc/05/35/19/810053519.db2.gz GTTKCMLFGPMCIE-UONOGXRCSA-N 1 1 267.413 3.443 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)C)C1 ZINC001120309107 802739055 /nfs/dbraw/zinc/73/90/55/802739055.db2.gz IVBAIIDMLNAPRN-SJORKVTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)C)C1 ZINC001120309106 802739224 /nfs/dbraw/zinc/73/92/24/802739224.db2.gz IVBAIIDMLNAPRN-IRXDYDNUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CCC)C1 ZINC001120347187 802740708 /nfs/dbraw/zinc/74/07/08/802740708.db2.gz DODKCJNUYLMFPU-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CCC)C1 ZINC001120392279 802743770 /nfs/dbraw/zinc/74/37/70/802743770.db2.gz LNXPIQSTQBMVQO-SJORKVTESA-N 1 1 292.467 3.456 20 30 CGEDMO CC(C)C[C@@](C)(C#N)N[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256910450 807007243 /nfs/dbraw/zinc/00/72/43/807007243.db2.gz ZCJOYYJZKMSLIP-RDJZCZTQSA-N 1 1 277.456 3.311 20 30 CGEDMO C#CC[NH2+]CC(=O)Nc1ccc(SC(C)(C)C)cc1C ZINC001121945596 802853045 /nfs/dbraw/zinc/85/30/45/802853045.db2.gz ZJVCQMHBICUKIQ-UHFFFAOYSA-N 1 1 290.432 3.047 20 30 CGEDMO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](C[C@H](C)CC)C2)C1 ZINC001201499358 811868556 /nfs/dbraw/zinc/86/85/56/811868556.db2.gz KGUMWAFOJORCQI-NVXWUHKLSA-N 1 1 294.439 3.143 20 30 CGEDMO C=C1CCC(C(=O)N2CC[N@H+](C)CC23CCCCC3)CC1 ZINC001126472951 803099199 /nfs/dbraw/zinc/09/91/99/803099199.db2.gz RBGPBUAKFANQOD-UHFFFAOYSA-N 1 1 290.451 3.210 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)C2CCCC2)CC[C@H]1C ZINC001131730488 803338420 /nfs/dbraw/zinc/33/84/20/803338420.db2.gz MFSMLEIMPGPJDK-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](NC(=O)C(F)F)CC[C@@H]1C ZINC001131742773 803340448 /nfs/dbraw/zinc/34/04/48/803340448.db2.gz HFDMRPLNIADJIZ-STQMWFEESA-N 1 1 290.398 3.191 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)CCC2CCCC2)CC[C@@H]1C ZINC001131764705 803342961 /nfs/dbraw/zinc/34/29/61/803342961.db2.gz MFXVQSLCHVYEKC-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@H+]1C[C@H](NC(=O)C(C)(C)C(C)C)CC[C@@H]1C ZINC001132073012 803371182 /nfs/dbraw/zinc/37/11/82/803371182.db2.gz SSPMFTUDEBIHPL-LSDHHAIUSA-N 1 1 280.456 3.214 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCCC)C1 ZINC001132071484 803371716 /nfs/dbraw/zinc/37/17/16/803371716.db2.gz BDXBTJUBKSUYTL-HUUCEWRRSA-N 1 1 266.429 3.112 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)C2(C3CC3)CC2)CC[C@H]1C ZINC001132119694 803373895 /nfs/dbraw/zinc/37/38/95/803373895.db2.gz GYLARFKNWQXSJX-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)CCCC#CC)CC[C@H]1C ZINC001132235523 803382694 /nfs/dbraw/zinc/38/26/94/803382694.db2.gz ORYOCLVPTKLHFP-SJORKVTESA-N 1 1 290.451 3.115 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cc(C)co2)CC[C@H]1C ZINC001132235380 803384441 /nfs/dbraw/zinc/38/44/41/803384441.db2.gz MSNPFSUXODUWEI-CABCVRRESA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCCC1(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CCC)C2)CC1 ZINC001132277292 803390554 /nfs/dbraw/zinc/39/05/54/803390554.db2.gz FEOYQKVJJSVFMJ-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)C2(C)CC(=C)C2)CC[C@@H]1C ZINC001132288727 803392048 /nfs/dbraw/zinc/39/20/48/803392048.db2.gz VRNSBJBYOOXACL-JKSUJKDBSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC2CCC2)C1 ZINC001132332559 803396371 /nfs/dbraw/zinc/39/63/71/803396371.db2.gz VMXUNPFBCFRJOB-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C#CC[N@H+]1C[C@@H](NC(=O)CCCCCCCC)CC[C@H]1C ZINC001132441658 803404714 /nfs/dbraw/zinc/40/47/14/803404714.db2.gz RTLSYCXSCBGLHB-SJORKVTESA-N 1 1 292.467 3.339 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CCF)C2)CCCC1 ZINC001132545554 803413316 /nfs/dbraw/zinc/41/33/16/803413316.db2.gz CHBLITYXSOKMPX-GJZGRUSLSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[C@H](C)[N@H+](CCF)C2)CCCC1 ZINC001132545554 803413317 /nfs/dbraw/zinc/41/33/17/803413317.db2.gz CHBLITYXSOKMPX-GJZGRUSLSA-N 1 1 296.430 3.062 20 30 CGEDMO Cc1[nH+]ccn1-c1ccc(-c2cccc(Cl)c2C#N)nn1 ZINC001244724673 803514683 /nfs/dbraw/zinc/51/46/83/803514683.db2.gz FRZWEGKPVWFWMT-UHFFFAOYSA-N 1 1 295.733 3.163 20 30 CGEDMO C[N@@H+](CCc1cccc(F)c1)Cc1ccc(OCC#N)cc1 ZINC001137122898 803684985 /nfs/dbraw/zinc/68/49/85/803684985.db2.gz YAOVYVWTGOCIGR-UHFFFAOYSA-N 1 1 298.361 3.403 20 30 CGEDMO COc1nc2ccccc2cc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001137206812 803696407 /nfs/dbraw/zinc/69/64/07/803696407.db2.gz LPIBMIPINCCQCI-CQSZACIVSA-N 1 1 295.386 3.369 20 30 CGEDMO SC1CC[NH+](Cc2ccc(Br)s2)CC1 ZINC001137646628 803748333 /nfs/dbraw/zinc/74/83/33/803748333.db2.gz MAWUYKCFXGNGQH-UHFFFAOYSA-N 1 1 292.267 3.405 20 30 CGEDMO Cc1ccc(C[NH+]2CCOCC2)cc1-c1ccc(C#N)cc1 ZINC001245497739 803768910 /nfs/dbraw/zinc/76/89/10/803768910.db2.gz NXHMJGSBJCSHCF-UHFFFAOYSA-N 1 1 292.382 3.366 20 30 CGEDMO Cc1ccc(C[N@@H+]2CC[C@H](C#N)C2)c2ccccc12 ZINC001138016621 803826106 /nfs/dbraw/zinc/82/61/06/803826106.db2.gz KHDWQOZNPMLJLQ-CQSZACIVSA-N 1 1 250.345 3.494 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@H](C#N)C2)c2ccccc12 ZINC001138016621 803826114 /nfs/dbraw/zinc/82/61/14/803826114.db2.gz KHDWQOZNPMLJLQ-CQSZACIVSA-N 1 1 250.345 3.494 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](Cc2ccc(O)c3ccccc23)C1 ZINC001138062702 803845173 /nfs/dbraw/zinc/84/51/73/803845173.db2.gz WSYGLUPCVCJHOW-QGZVFWFLSA-N 1 1 266.344 3.281 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](Cc2ccc(O)c3ccccc23)C1 ZINC001138062702 803845182 /nfs/dbraw/zinc/84/51/82/803845182.db2.gz WSYGLUPCVCJHOW-QGZVFWFLSA-N 1 1 266.344 3.281 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)o2)C1 ZINC001138176066 803869297 /nfs/dbraw/zinc/86/92/97/803869297.db2.gz RZJWHABSHJEODZ-HNNXBMFYSA-N 1 1 287.407 3.396 20 30 CGEDMO C(#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)cc1)c1ccccc1 ZINC001138336744 803899480 /nfs/dbraw/zinc/89/94/80/803899480.db2.gz XYLLOYKHWHKHHI-PMACEKPBSA-N 1 1 289.378 3.060 20 30 CGEDMO C(#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CO3)cc1)c1ccccc1 ZINC001138336744 803899486 /nfs/dbraw/zinc/89/94/86/803899486.db2.gz XYLLOYKHWHKHHI-PMACEKPBSA-N 1 1 289.378 3.060 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(C)c(OC)c(C)c2)C1 ZINC001138429197 803931881 /nfs/dbraw/zinc/93/18/81/803931881.db2.gz ZIDSGQHRKNCYNN-HNNXBMFYSA-N 1 1 257.377 3.157 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)cc1 ZINC001138556316 803965821 /nfs/dbraw/zinc/96/58/21/803965821.db2.gz OYEPFYZTVIDWIS-DLBZAZTESA-N 1 1 269.388 3.321 20 30 CGEDMO C=CCc1cccc(C[N@@H+](C)Cc2cccnc2)c1O ZINC001138624979 803983754 /nfs/dbraw/zinc/98/37/54/803983754.db2.gz WQTNHGDJTYPWSY-UHFFFAOYSA-N 1 1 268.360 3.148 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C)c1O ZINC001138631342 803985076 /nfs/dbraw/zinc/98/50/76/803985076.db2.gz PWZVAPYIOFDKLV-BBRMVZONSA-N 1 1 275.392 3.120 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2CC[C@H](OC(C)C)C2)c1O ZINC001138629572 803985695 /nfs/dbraw/zinc/98/56/95/803985695.db2.gz DQGRNRIPCYKBHV-INIZCTEOSA-N 1 1 275.392 3.120 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2c3cc[nH]c3ncc2Cl)C1 ZINC001138952183 804080933 /nfs/dbraw/zinc/08/09/33/804080933.db2.gz MWGGHOCZUBUIIQ-NSHDSACASA-N 1 1 273.767 3.013 20 30 CGEDMO CCCCCCCC[C@H](O)CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246024386 804100890 /nfs/dbraw/zinc/10/08/90/804100890.db2.gz FNRDVQZGDSXAOI-ZWKOTPCHSA-N 1 1 296.499 3.173 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@@H](OC)C[C@@H]1C ZINC001139031406 804113770 /nfs/dbraw/zinc/11/37/70/804113770.db2.gz XGGLCPNESIKXBX-GOEBONIOSA-N 1 1 275.392 3.251 20 30 CGEDMO Cn1ccc2c1cccc2C[N@H+]1CCC[C@H](CC#N)C1 ZINC001139160232 804144451 /nfs/dbraw/zinc/14/44/51/804144451.db2.gz VSGHBJHLEBNKRJ-CQSZACIVSA-N 1 1 267.376 3.304 20 30 CGEDMO C=CC[N@H+](Cc1cnc(N)s1)C1CCCCC1 ZINC001139228755 804167063 /nfs/dbraw/zinc/16/70/63/804167063.db2.gz BKJJGWQVRKTRRT-UHFFFAOYSA-N 1 1 251.399 3.046 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)c1 ZINC001139646289 804241980 /nfs/dbraw/zinc/24/19/80/804241980.db2.gz NPWADCICENCQTQ-UONOGXRCSA-N 1 1 258.340 3.319 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c1 ZINC001139646331 804241995 /nfs/dbraw/zinc/24/19/95/804241995.db2.gz OXYQOSQEQADLCM-YPMHNXCESA-N 1 1 280.293 3.174 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)ccc1F)C[C@H]1Cc2ccccc2O1 ZINC001139650501 804244209 /nfs/dbraw/zinc/24/42/09/804244209.db2.gz KOZMOTHSFJYBET-MRXNPFEDSA-N 1 1 296.345 3.133 20 30 CGEDMO C[N@H+](Cc1cc(C#N)ccc1F)C[C@H]1Cc2ccccc2O1 ZINC001139650501 804244214 /nfs/dbraw/zinc/24/42/14/804244214.db2.gz KOZMOTHSFJYBET-MRXNPFEDSA-N 1 1 296.345 3.133 20 30 CGEDMO N#Cc1c(Cl)cccc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC001139687294 804254146 /nfs/dbraw/zinc/25/41/46/804254146.db2.gz NKRCHTFIPHAJRB-INIZCTEOSA-N 1 1 290.794 3.214 20 30 CGEDMO N#Cc1c(Cl)cccc1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC001139687294 804254152 /nfs/dbraw/zinc/25/41/52/804254152.db2.gz NKRCHTFIPHAJRB-INIZCTEOSA-N 1 1 290.794 3.214 20 30 CGEDMO N#Cc1c(Cl)cccc1C[N@H+]1C[C@@H]2C(=O)CCC[C@@H]2C1 ZINC001139692455 804256092 /nfs/dbraw/zinc/25/60/92/804256092.db2.gz ACIHWBLVJKTKDB-OCCSQVGLSA-N 1 1 288.778 3.013 20 30 CGEDMO N#Cc1c(Cl)cccc1C[N@@H+]1C[C@@H]2C(=O)CCC[C@@H]2C1 ZINC001139692455 804256102 /nfs/dbraw/zinc/25/61/02/804256102.db2.gz ACIHWBLVJKTKDB-OCCSQVGLSA-N 1 1 288.778 3.013 20 30 CGEDMO CO[C@H]1CC[N@H+](Cc2cccc(Cl)c2C#N)[C@H](C)C1 ZINC001139693193 804256473 /nfs/dbraw/zinc/25/64/73/804256473.db2.gz SKLXIVGVNNUXPY-YPMHNXCESA-N 1 1 278.783 3.211 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2cccc(Cl)c2C#N)[C@H](C)C1 ZINC001139693193 804256482 /nfs/dbraw/zinc/25/64/82/804256482.db2.gz SKLXIVGVNNUXPY-YPMHNXCESA-N 1 1 278.783 3.211 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2c[nH]c3c2cccc3C#N)CC[C@]1(C)O ZINC001139701760 804258998 /nfs/dbraw/zinc/25/89/98/804258998.db2.gz PGRFVBHMGPLXHI-ACJLOTCBSA-N 1 1 297.402 3.022 20 30 CGEDMO CC[C@@H]1CCC[N@H+]1Cc1c[nH]c2c1cccc2C#N ZINC001139704040 804260709 /nfs/dbraw/zinc/26/07/09/804260709.db2.gz ZQEPJPQRYDLUGC-CQSZACIVSA-N 1 1 253.349 3.414 20 30 CGEDMO N#Cc1cccc2c(C[N@H+]3CCC[C@@]4(CCOC4)C3)c[nH]c21 ZINC001139704785 804260728 /nfs/dbraw/zinc/26/07/28/804260728.db2.gz YBBTXNLIZISGAJ-GOSISDBHSA-N 1 1 295.386 3.042 20 30 CGEDMO CCCCCCC[C@@H](CC(C)C)N[C@@]1(CCO)CC[NH2+]C1 ZINC001246294043 804263132 /nfs/dbraw/zinc/26/31/32/804263132.db2.gz LRWIPVAFDGKIEN-ZWKOTPCHSA-N 1 1 298.515 3.466 20 30 CGEDMO COC[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(C)c(C#N)c1)C2 ZINC001139725515 804267468 /nfs/dbraw/zinc/26/74/68/804267468.db2.gz SBVACHQVPLJKRQ-MSOLQXFVSA-N 1 1 284.403 3.115 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cccc(CC)c2)no1 ZINC001212325106 815005663 /nfs/dbraw/zinc/00/56/63/815005663.db2.gz IDSNYVKNQMPSPC-AWEZNQCLSA-N 1 1 269.348 3.102 20 30 CGEDMO N#CCC[N@H+](Cc1cc(F)ccc1O)C1CCCC1 ZINC001140055172 804362768 /nfs/dbraw/zinc/36/27/68/804362768.db2.gz AGFXYRAGDQUCIV-UHFFFAOYSA-N 1 1 262.328 3.190 20 30 CGEDMO N#Cc1ccc2[nH]cc(C[N@H+]3CC[C@@H]4CCCO[C@@H]4C3)c2c1 ZINC001140110782 804378768 /nfs/dbraw/zinc/37/87/68/804378768.db2.gz STYJUIKFMAOLDM-KBXCAEBGSA-N 1 1 295.386 3.040 20 30 CGEDMO C[N@@H+](CCc1ccncc1)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140114724 804380809 /nfs/dbraw/zinc/38/08/09/804380809.db2.gz XLKKCGQNEKPRDK-UHFFFAOYSA-N 1 1 290.370 3.109 20 30 CGEDMO COc1cc(C[N@H+]2CCc3cc(C#N)ccc3C2)ccc1C ZINC001140156738 804390249 /nfs/dbraw/zinc/39/02/49/804390249.db2.gz KVZHQKKGYIWKBG-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO CCCCCCCC[C@H](CC)[N@@H+](C)C[C@@H]1CNCCO1 ZINC001246551165 804400452 /nfs/dbraw/zinc/40/04/52/804400452.db2.gz PFOCOLVSGVLFMD-IRXDYDNUSA-N 1 1 284.488 3.436 20 30 CGEDMO C[N@H+](CCC#N)Cc1ccccc1-c1cccnc1 ZINC001140314034 804409235 /nfs/dbraw/zinc/40/92/35/804409235.db2.gz LASAJZUTWIZEST-UHFFFAOYSA-N 1 1 251.333 3.094 20 30 CGEDMO C[N@@H+](CCC#N)Cc1ccccc1-c1cccnc1 ZINC001140314034 804409239 /nfs/dbraw/zinc/40/92/39/804409239.db2.gz LASAJZUTWIZEST-UHFFFAOYSA-N 1 1 251.333 3.094 20 30 CGEDMO N#C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(Cl)nn3)cc2)C1 ZINC001140415717 804430636 /nfs/dbraw/zinc/43/06/36/804430636.db2.gz SONOLIVTFUNEHY-CYBMUJFWSA-N 1 1 298.777 3.142 20 30 CGEDMO N#C[C@H]1CC[N@H+](Cc2ccc(-c3ccc(Cl)nn3)cc2)C1 ZINC001140415717 804430639 /nfs/dbraw/zinc/43/06/39/804430639.db2.gz SONOLIVTFUNEHY-CYBMUJFWSA-N 1 1 298.777 3.142 20 30 CGEDMO CCCCCCCCCC[C@H](C)[N@H+]1CCNC[C@H](O)C1 ZINC001246598153 804436895 /nfs/dbraw/zinc/43/68/95/804436895.db2.gz GYYYDCMNZMHABW-IRXDYDNUSA-N 1 1 284.488 3.172 20 30 CGEDMO CCCCCCCCCC[C@H](C)N1CC[NH2+]C[C@H](O)C1 ZINC001246598153 804436899 /nfs/dbraw/zinc/43/68/99/804436899.db2.gz GYYYDCMNZMHABW-IRXDYDNUSA-N 1 1 284.488 3.172 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CCNC[C@@H](F)C1 ZINC001246603348 804440521 /nfs/dbraw/zinc/44/05/21/804440521.db2.gz ZBACMJKSQZXOGE-CABCVRRESA-N 1 1 258.425 3.369 20 30 CGEDMO CCCCCCC[C@H](CC)N1CC[NH2+]C[C@@H](F)C1 ZINC001246603348 804440527 /nfs/dbraw/zinc/44/05/27/804440527.db2.gz ZBACMJKSQZXOGE-CABCVRRESA-N 1 1 258.425 3.369 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)cn1 ZINC001140546339 804457793 /nfs/dbraw/zinc/45/77/93/804457793.db2.gz FHMORZFSMZTRQK-GASCZTMLSA-N 1 1 275.355 3.040 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2cccc3ccncc32)CC1 ZINC001140643909 804482489 /nfs/dbraw/zinc/48/24/89/804482489.db2.gz QQJOFTDDVGHJNW-AWEZNQCLSA-N 1 1 265.360 3.360 20 30 CGEDMO Cc1cc(C#N)c(Nc2ccc[nH+]c2N)cc1Cl ZINC001212408887 815021619 /nfs/dbraw/zinc/02/16/19/815021619.db2.gz RGVPMVGUIASDED-UHFFFAOYSA-N 1 1 258.712 3.241 20 30 CGEDMO CCCCCCCC[C@H](CCC)[N@H+]1CCNC[C@@H]1CO ZINC001246700274 804499532 /nfs/dbraw/zinc/49/95/32/804499532.db2.gz PHUKRCDQWISORV-DLBZAZTESA-N 1 1 284.488 3.172 20 30 CGEDMO CCC[N@@H+](Cc1cc(F)c(C#N)c(F)c1)C1CCOCC1 ZINC001140757183 804505867 /nfs/dbraw/zinc/50/58/67/804505867.db2.gz WKBPIOKMQDIWJG-UHFFFAOYSA-N 1 1 294.345 3.227 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1ccc(N(CC)CC)cc1O ZINC001140854861 804533313 /nfs/dbraw/zinc/53/33/13/804533313.db2.gz DPYZZXGSUUHWMA-UHFFFAOYSA-N 1 1 289.423 3.364 20 30 CGEDMO Cc1c[nH]c(C[N@@H+]2CCc3ccc(C#N)cc3C2)c1C ZINC001140858661 804534628 /nfs/dbraw/zinc/53/46/28/804534628.db2.gz MGXLPZWOBKELEU-UHFFFAOYSA-N 1 1 265.360 3.062 20 30 CGEDMO Cc1c[nH]c(C[N@H+]2CCc3ccc(C#N)cc3C2)c1C ZINC001140858661 804534630 /nfs/dbraw/zinc/53/46/30/804534630.db2.gz MGXLPZWOBKELEU-UHFFFAOYSA-N 1 1 265.360 3.062 20 30 CGEDMO CCCCCCCC[C@H](CC)[N@@H+]1CCN[C@H](C#N)C1 ZINC001246832949 804541807 /nfs/dbraw/zinc/54/18/07/804541807.db2.gz FHMTWIZTSNDGKE-CVEARBPZSA-N 1 1 265.445 3.313 20 30 CGEDMO CCCCCCCC[C@H](CC)[N@H+]1CCN[C@H](C#N)C1 ZINC001246832949 804541813 /nfs/dbraw/zinc/54/18/13/804541813.db2.gz FHMTWIZTSNDGKE-CVEARBPZSA-N 1 1 265.445 3.313 20 30 CGEDMO N#CC1CCC([N@H+]2C[C@@H]3C[C@H]2CN3Cc2ccccc2)CC1 ZINC001256969707 807020531 /nfs/dbraw/zinc/02/05/31/807020531.db2.gz NGPXHGDESRQVIK-FYOYPEGLSA-N 1 1 295.430 3.027 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H]1CCN[C@@H](c2ccccc2)C1 ZINC001246856087 804563911 /nfs/dbraw/zinc/56/39/11/804563911.db2.gz YWRPJYCYPCFYMI-IAGOWNOFSA-N 1 1 258.409 3.378 20 30 CGEDMO N#CC1CCC([N@H+]2CCC[C@H]2c2nccs2)CC1 ZINC001256969273 807021235 /nfs/dbraw/zinc/02/12/35/807021235.db2.gz DDAJFWRLZJDGGJ-BPCQOVAHSA-N 1 1 261.394 3.362 20 30 CGEDMO CCC(CC)[N@@H+](C)Cc1sc(N)c(C#N)c1Cl ZINC001141114269 804592616 /nfs/dbraw/zinc/59/26/16/804592616.db2.gz KCLCNHBDFXTWJT-UHFFFAOYSA-N 1 1 271.817 3.476 20 30 CGEDMO CCCCCCCCCC[N@@H+](C)[C@@H]1CCNC(=O)C1 ZINC001246941002 804610518 /nfs/dbraw/zinc/61/05/18/804610518.db2.gz XOPYJQRQYWJIMT-OAHLLOKOSA-N 1 1 268.445 3.338 20 30 CGEDMO N#Cc1ccc(Br)c(C[NH+]2CC3CC(C3)C2)c1 ZINC001141662633 804662538 /nfs/dbraw/zinc/66/25/38/804662538.db2.gz VHOCGCCNXYAICY-UHFFFAOYSA-N 1 1 291.192 3.163 20 30 CGEDMO CSc1nc(C[N@H+]2CCCCC[C@@H]2C)ccc1C#N ZINC001141938785 804680550 /nfs/dbraw/zinc/68/05/50/804680550.db2.gz HWPIWRMTGLXGQF-LBPRGKRZSA-N 1 1 275.421 3.440 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2ccc(F)c(C)c2F)no1 ZINC001247622126 804783109 /nfs/dbraw/zinc/78/31/09/804783109.db2.gz GLQMSNZEIGAIFY-LLVKDONJSA-N 1 1 279.290 3.289 20 30 CGEDMO N#Cc1ccc2c(C[N@@H+]3CCC[C@H](F)CC3)c[nH]c2c1 ZINC001142911870 804783406 /nfs/dbraw/zinc/78/34/06/804783406.db2.gz MNSXXCGFXYJQSI-AWEZNQCLSA-N 1 1 271.339 3.364 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2ccc(C)cc2C)no1 ZINC001247622953 804784911 /nfs/dbraw/zinc/78/49/11/804784911.db2.gz SUQGDQJIMJWOAF-ZDUSSCGKSA-N 1 1 257.337 3.319 20 30 CGEDMO CC(C)O[C@H]1CC[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)C1 ZINC001142922338 804785059 /nfs/dbraw/zinc/78/50/59/804785059.db2.gz CZRRPEWWBOZYQX-HNNXBMFYSA-N 1 1 283.375 3.039 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)[C@@H](C)C1 ZINC001142932034 804786381 /nfs/dbraw/zinc/78/63/81/804786381.db2.gz XHRCWFPDXPMYQW-WFASDCNBSA-N 1 1 283.375 3.039 20 30 CGEDMO Cc1cc(CC#N)ccc1NCC[C@H]1CCC[N@H+](C)C1 ZINC001165290413 806989453 /nfs/dbraw/zinc/98/94/53/806989453.db2.gz SXUDYLGUZCKLCY-MRXNPFEDSA-N 1 1 271.408 3.205 20 30 CGEDMO C[N@H+]1CCC[C@@H](CCNc2ccc3c(ccnc3C#N)c2)C1 ZINC001165301109 806990652 /nfs/dbraw/zinc/99/06/52/806990652.db2.gz XIXSOZKLBYKYCA-AWEZNQCLSA-N 1 1 294.402 3.250 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](c3ccccn3)C2)c1F ZINC001143173346 804814206 /nfs/dbraw/zinc/81/42/06/804814206.db2.gz XXZJKGKFUCDXAI-CYBMUJFWSA-N 1 1 299.324 3.221 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](c3ccccn3)C2)c1F ZINC001143173346 804814211 /nfs/dbraw/zinc/81/42/11/804814211.db2.gz XXZJKGKFUCDXAI-CYBMUJFWSA-N 1 1 299.324 3.221 20 30 CGEDMO Cc1cc(-c2noc([C@H]([NH3+])CCC(C)C)n2)ccc1C#N ZINC001247850706 804847424 /nfs/dbraw/zinc/84/74/24/804847424.db2.gz NLVIVQPLBJLUCN-CQSZACIVSA-N 1 1 284.363 3.353 20 30 CGEDMO N#Cc1cccc(-c2noc([C@H]([NH3+])C3CCCCC3)n2)c1 ZINC001248240291 804901270 /nfs/dbraw/zinc/90/12/70/804901270.db2.gz HISGJRIFTOMYSJ-CQSZACIVSA-N 1 1 282.347 3.188 20 30 CGEDMO C=CC[C@H](C)C(=O)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001144014650 804923103 /nfs/dbraw/zinc/92/31/03/804923103.db2.gz RVILQNOHSUQIPJ-HNNXBMFYSA-N 1 1 290.451 3.066 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(O)cc2C(F)(F)F)C1 ZINC001144391704 804981135 /nfs/dbraw/zinc/98/11/35/804981135.db2.gz WFIQLPZSFFKAAS-LLVKDONJSA-N 1 1 283.293 3.256 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCc2cc(O)ccc2C1 ZINC001248750051 804982879 /nfs/dbraw/zinc/98/28/79/804982879.db2.gz VLFYAYGQDZANEQ-UHFFFAOYSA-N 1 1 292.382 3.385 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@@H+]1CCc2ncsc2C1 ZINC001248751604 804983903 /nfs/dbraw/zinc/98/39/03/804983903.db2.gz CLBOQUOAGNSQNQ-UHFFFAOYSA-N 1 1 283.400 3.135 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCc2ncsc2C1 ZINC001248751604 804983907 /nfs/dbraw/zinc/98/39/07/804983907.db2.gz CLBOQUOAGNSQNQ-UHFFFAOYSA-N 1 1 283.400 3.135 20 30 CGEDMO CCCCCCCC[N@@H+](C)Cc1cccc(=O)n1C ZINC001248807648 804999397 /nfs/dbraw/zinc/99/93/97/804999397.db2.gz ZCMYUTMZEQBTGV-UHFFFAOYSA-N 1 1 264.413 3.178 20 30 CGEDMO C=CCCC(=O)N1CC2(C1)CC[N@H+]([C@@H](C)c1ccccc1)C2 ZINC001147188476 805114505 /nfs/dbraw/zinc/11/45/05/805114505.db2.gz ZYAJHKSQZASLAQ-INIZCTEOSA-N 1 1 298.430 3.248 20 30 CGEDMO CC1(C)C=Cc2c(O)c(C[N@@H+]3CCC[C@H](C#N)C3)ccc2O1 ZINC001249252765 805121911 /nfs/dbraw/zinc/12/19/11/805121911.db2.gz UFKVBXSGZJANKG-CYBMUJFWSA-N 1 1 298.386 3.312 20 30 CGEDMO CC1(C)C=Cc2c(O)c(C[N@H+]3CCC[C@H](C#N)C3)ccc2O1 ZINC001249252765 805121916 /nfs/dbraw/zinc/12/19/16/805121916.db2.gz UFKVBXSGZJANKG-CYBMUJFWSA-N 1 1 298.386 3.312 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2csc(-c3ccncc3)n2)CC1 ZINC001249298986 805127287 /nfs/dbraw/zinc/12/72/87/805127287.db2.gz KGOOEGHMEDKYIU-CYBMUJFWSA-N 1 1 298.415 3.331 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2csc(-c3ccncc3)n2)CC1 ZINC001249298986 805127292 /nfs/dbraw/zinc/12/72/92/805127292.db2.gz KGOOEGHMEDKYIU-CYBMUJFWSA-N 1 1 298.415 3.331 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@H](C)CCCC)C2)C1 ZINC001147468575 805131960 /nfs/dbraw/zinc/13/19/60/805131960.db2.gz SBUCSZXHVWHQEY-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C[N@@H+](CCC1CC1)Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249430559 805148366 /nfs/dbraw/zinc/14/83/66/805148366.db2.gz XNHSISAYEFVJCI-UHFFFAOYSA-N 1 1 253.349 3.271 20 30 CGEDMO C=CC[N@@H+]1CCC2(CN(C(=O)C[C@H](CC)CCCC)C2)C1 ZINC001147939133 805156797 /nfs/dbraw/zinc/15/67/97/805156797.db2.gz NKANTBZJUBEGKC-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1CCC2(CN(C(=O)C[C@@H](CC)CCCC)C2)C1 ZINC001147939132 805156834 /nfs/dbraw/zinc/15/68/34/805156834.db2.gz NKANTBZJUBEGKC-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CC[N@H+](C[C@H](C)CC)C2 ZINC001148131939 805164514 /nfs/dbraw/zinc/16/45/14/805164514.db2.gz WVSOXQMAZAKLIN-CVEARBPZSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)C(CCC)CCC)C2)C1 ZINC001148181636 805166524 /nfs/dbraw/zinc/16/65/24/805166524.db2.gz RSNVBYAXKAVLHD-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@H](CC)CCC)C2)C1 ZINC001148506722 805190820 /nfs/dbraw/zinc/19/08/20/805190820.db2.gz KTUITXKLQPWFEZ-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C)[C@H](C)CC)C2)C1 ZINC001148501572 805190974 /nfs/dbraw/zinc/19/09/74/805190974.db2.gz SNMCCOYPFYNBCO-CVEARBPZSA-N 1 1 292.467 3.169 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c1F ZINC001249681091 805210217 /nfs/dbraw/zinc/21/02/17/805210217.db2.gz PCLJMTSOJKVWHF-YPMHNXCESA-N 1 1 280.293 3.174 20 30 CGEDMO C=CCC1(C(=O)N2CC3(C2)CC[N@H+](C(C)C)C3)CCCC1 ZINC001148935628 805215802 /nfs/dbraw/zinc/21/58/02/805215802.db2.gz RGENMYBKTQLXDW-UHFFFAOYSA-N 1 1 290.451 3.066 20 30 CGEDMO Cc1cc(Nc2ccc(C#N)c(Cl)c2F)c[nH+]c1N ZINC001249791190 805249952 /nfs/dbraw/zinc/24/99/52/805249952.db2.gz AUGXLOJXQWGAAS-UHFFFAOYSA-N 1 1 276.702 3.380 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)C[C@H]1C=CCC1 ZINC001151807302 805314215 /nfs/dbraw/zinc/31/42/15/805314215.db2.gz YCKSZXOLQIICNW-CVEARBPZSA-N 1 1 278.440 3.136 20 30 CGEDMO CC[N@@H+](CC1CCCCC1)[C@H](C)CNC(=O)C#CC(C)C ZINC001153215355 805387704 /nfs/dbraw/zinc/38/77/04/805387704.db2.gz YUYBWFWQLGQGIA-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)CCC[C@@H](C)CCC ZINC001153566950 805402995 /nfs/dbraw/zinc/40/29/95/805402995.db2.gz OXQXGYGXRUYQII-DLBZAZTESA-N 1 1 294.483 3.443 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1c[nH]c2ccccc12 ZINC001154197843 805439317 /nfs/dbraw/zinc/43/93/17/805439317.db2.gz DEEZVZKYHXJOHX-CQSZACIVSA-N 1 1 299.418 3.184 20 30 CGEDMO C=CC(C)(C)CCCNC(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC001154224245 805442297 /nfs/dbraw/zinc/44/22/97/805442297.db2.gz VFRLORNYBPVQFG-OAHLLOKOSA-N 1 1 278.440 3.112 20 30 CGEDMO CCCCCCCCCC(=O)NC1C[NH+](C(C)C)C1 ZINC001154589369 805464968 /nfs/dbraw/zinc/46/49/68/805464968.db2.gz MDBLELLLZRPHFG-UHFFFAOYSA-N 1 1 268.445 3.336 20 30 CGEDMO C#CCCCCCC(=O)NC[C@@H](C)[N@@H+](CC)CC=C(C)C ZINC001154609467 805468108 /nfs/dbraw/zinc/46/81/08/805468108.db2.gz HFUGVGGOHLJPSD-QGZVFWFLSA-N 1 1 292.467 3.363 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(F)c(C)c1 ZINC001154952582 805512537 /nfs/dbraw/zinc/51/25/37/805512537.db2.gz HOQZUOWZPYHPRY-CQSZACIVSA-N 1 1 292.398 3.150 20 30 CGEDMO Cc1cc(Cl)c(C#N)c(NCC[C@@H]2CCC[N@H+](C)C2)n1 ZINC001165261958 806983697 /nfs/dbraw/zinc/98/36/97/806983697.db2.gz UJYFFMKYPQGRRO-LBPRGKRZSA-N 1 1 292.814 3.059 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1CCC ZINC001155149609 805544812 /nfs/dbraw/zinc/54/48/12/805544812.db2.gz OVCBCDGTQMXLAI-MGPQQGTHSA-N 1 1 286.847 3.002 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1CCC ZINC001155149609 805544817 /nfs/dbraw/zinc/54/48/17/805544817.db2.gz OVCBCDGTQMXLAI-MGPQQGTHSA-N 1 1 286.847 3.002 20 30 CGEDMO C[C@@]1(O)CC[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257016754 807027214 /nfs/dbraw/zinc/02/72/14/807027214.db2.gz IFBVWKGGFGIVIW-DAWZGUTISA-N 1 1 284.403 3.041 20 30 CGEDMO C[C@@H]1C[C@@H](O)C[N@H+]1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257016837 807027833 /nfs/dbraw/zinc/02/78/33/807027833.db2.gz JWDSMOGFSDSWSV-HELAGCTPSA-N 1 1 284.403 3.040 20 30 CGEDMO CC(C)n1ccc2c1nc[nH+]c2N1CCC[C@H](CC#N)C1 ZINC001166741258 807089387 /nfs/dbraw/zinc/08/93/87/807089387.db2.gz LUZINHYQNGCSQK-CYBMUJFWSA-N 1 1 283.379 3.142 20 30 CGEDMO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+]([C@@H](C)CCC)C2)C1 ZINC001257317235 807103683 /nfs/dbraw/zinc/10/36/83/807103683.db2.gz VCDCHVLVKSRIIV-RDJZCZTQSA-N 1 1 294.439 3.286 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH2+]C(CCC)CCC)C(=O)OCC ZINC001257330411 807111950 /nfs/dbraw/zinc/11/19/50/807111950.db2.gz MESVXXFMXZQEJD-IUODEOHRSA-N 1 1 253.386 3.053 20 30 CGEDMO C#C[C@@H]1CCCN(c2[nH+]ccc3ccc(OC)cc32)C1 ZINC001167007153 807127969 /nfs/dbraw/zinc/12/79/69/807127969.db2.gz YMXMACOBYDPFBC-CYBMUJFWSA-N 1 1 266.344 3.093 20 30 CGEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](C1CCCCC1)CCO2 ZINC001257458224 807166486 /nfs/dbraw/zinc/16/64/86/807166486.db2.gz XUMBFWJUQGXOHF-FUHWJXTLSA-N 1 1 293.451 3.393 20 30 CGEDMO CCC(CC)[N@@H+](C[C@H](O)c1cccc(C#N)c1)C1CC1 ZINC001167279178 807174881 /nfs/dbraw/zinc/17/48/81/807174881.db2.gz IHMWEAMTPIYPAZ-KRWDZBQOSA-N 1 1 272.392 3.245 20 30 CGEDMO C=CCCCCC[N@H+](C)CCC(=O)OC(C)(C)C ZINC001167461438 807193970 /nfs/dbraw/zinc/19/39/70/807193970.db2.gz IUNNXZRXKOLQHO-UHFFFAOYSA-N 1 1 255.402 3.396 20 30 CGEDMO C=C1C[C@@H]2CC([NH2+][C@H](C(=O)OC)C(C)(C)C)C[C@H](C1)C2 ZINC001257887010 807238750 /nfs/dbraw/zinc/23/87/50/807238750.db2.gz STXCBLSJGGDPLJ-IZGVIRRGSA-N 1 1 279.424 3.299 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCCNc1ccc(C2(C#N)CC2)cn1 ZINC001167752448 807241388 /nfs/dbraw/zinc/24/13/88/807241388.db2.gz VZQWEAGKXVARBE-OAHLLOKOSA-N 1 1 298.434 3.313 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCc4c(cc[nH]c4=O)C3)C[C@H](C1)C2 ZINC001257895730 807245158 /nfs/dbraw/zinc/24/51/58/807245158.db2.gz ZQALGAPMCOIFJE-MZBDJJRSSA-N 1 1 284.403 3.280 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCOCC34CCC4)C[C@H](C1)C2 ZINC001257895201 807245291 /nfs/dbraw/zinc/24/52/91/807245291.db2.gz LFXSAMBGDKCTJQ-XYPWUTKMSA-N 1 1 261.409 3.376 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+](C)Cc3cnccn3)C[C@H](C1)C2 ZINC001257895570 807245618 /nfs/dbraw/zinc/24/56/18/807245618.db2.gz UCMWAUFAFOZIKT-MZBDJJRSSA-N 1 1 257.381 3.043 20 30 CGEDMO CCCN(CCC#N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995522 807295359 /nfs/dbraw/zinc/29/53/59/807295359.db2.gz IUNATBBUVDXUKB-SJPCQFCGSA-N 1 1 275.440 3.017 20 30 CGEDMO C[C@@H]1C[C@@H]([NH2+]CCCS)C[C@H](C)N1Cc1ccccc1 ZINC001168028190 807299789 /nfs/dbraw/zinc/29/97/89/807299789.db2.gz ONBMQHTVRAYFFT-SCAQPMJSSA-N 1 1 292.492 3.338 20 30 CGEDMO CCCCCCCCC[C@H](C)[NH2+][C@](N)(CC)CO ZINC001258230998 807379128 /nfs/dbraw/zinc/37/91/28/807379128.db2.gz FQBLVGYJHQAXEZ-LSDHHAIUSA-N 1 1 258.450 3.163 20 30 CGEDMO C[N@H+]1CCCC[C@H]1c1ccc(NCCCCC#N)nc1 ZINC001168429209 807412470 /nfs/dbraw/zinc/41/24/70/807412470.db2.gz NECUFNIJTRKEFJ-HNNXBMFYSA-N 1 1 272.396 3.344 20 30 CGEDMO N#C[C@H]1CCC[N@H+]([C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168440049 807416250 /nfs/dbraw/zinc/41/62/50/807416250.db2.gz FOANARDZJXOJDO-GUYCJALGSA-N 1 1 272.367 3.309 20 30 CGEDMO COc1ccc(CC[C@H](C)[N@H+]2CC[C@](C)(C#N)C2)cc1 ZINC001258405675 807441461 /nfs/dbraw/zinc/44/14/61/807441461.db2.gz IWIMGDUNPWJTID-WMLDXEAASA-N 1 1 272.392 3.252 20 30 CGEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+]([C@H](C)CC1CC1)C2 ZINC001258461415 807464291 /nfs/dbraw/zinc/46/42/91/807464291.db2.gz PCJMAVYUMCCAKA-CRAIPNDOSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC001258724858 807573637 /nfs/dbraw/zinc/57/36/37/807573637.db2.gz FJUKDGSDKFGXEG-NEPJUHHUSA-N 1 1 265.319 3.120 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCC12CN(C(=O)OC(C)(C)C)C2 ZINC001258727517 807574773 /nfs/dbraw/zinc/57/47/73/807574773.db2.gz HZFSCCOSKDXLIG-CQSZACIVSA-N 1 1 294.439 3.426 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@]2(C[C@@H](CCOC)CO2)C1 ZINC001258728974 807575657 /nfs/dbraw/zinc/57/56/57/807575657.db2.gz RZJXUPIINBXDIK-GVDBMIGSSA-N 1 1 281.440 3.249 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@]2(CCCC(=O)N2CC=C)C1 ZINC001258729965 807576229 /nfs/dbraw/zinc/57/62/29/807576229.db2.gz ZQSUFEHLGXKLRQ-FUHWJXTLSA-N 1 1 290.451 3.374 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](c2nc(CC)no2)C1 ZINC001258732013 807577620 /nfs/dbraw/zinc/57/76/20/807577620.db2.gz HLVMXWBENIZZTF-QWHCGFSZSA-N 1 1 263.385 3.166 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCN(C(=O)OC(C)(C)C)C2(CC2)C1 ZINC001258732282 807578102 /nfs/dbraw/zinc/57/81/02/807578102.db2.gz KWVAXRMDOIENJM-CQSZACIVSA-N 1 1 294.439 3.426 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC001258732701 807578823 /nfs/dbraw/zinc/57/88/23/807578823.db2.gz PGJMTZNLMMPUMA-DOTOQJQBSA-N 1 1 275.392 3.121 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](Oc2ncccc2OC)C1 ZINC001258733705 807578921 /nfs/dbraw/zinc/57/89/21/807578921.db2.gz LZSSLULMCNKXSB-HUUCEWRRSA-N 1 1 290.407 3.288 20 30 CGEDMO CC(C)[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C)c1cccc(C#N)c1 ZINC001169107091 807579058 /nfs/dbraw/zinc/57/90/58/807579058.db2.gz CHBAGTGHBLDYBX-AKHDSKFASA-N 1 1 297.446 3.470 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](Oc2cccc(OC)n2)C1 ZINC001258733977 807580370 /nfs/dbraw/zinc/58/03/70/807580370.db2.gz PPUDRQLKDGDPIF-GJZGRUSLSA-N 1 1 290.407 3.288 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC001258735678 807582196 /nfs/dbraw/zinc/58/21/96/807582196.db2.gz YXJCGMDTGCVZCW-OLZOCXBDSA-N 1 1 253.386 3.005 20 30 CGEDMO C=CCOc1ccccc1[C@H](C)[NH2+]C1CCN(CC)CC1 ZINC001169233552 807610823 /nfs/dbraw/zinc/61/08/23/807610823.db2.gz TURXNYMOQHIDHC-HNNXBMFYSA-N 1 1 288.435 3.386 20 30 CGEDMO C#CC(C)(C)[N@H+](C)CCO[C@H](CC)c1ccccc1 ZINC001169243453 807613199 /nfs/dbraw/zinc/61/31/99/807613199.db2.gz PCEZAOBNXCQXHI-MRXNPFEDSA-N 1 1 259.393 3.498 20 30 CGEDMO CCn1ccnc1[C@H](C)[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001261256628 807723174 /nfs/dbraw/zinc/72/31/74/807723174.db2.gz OGRNEOYBQXGXCE-NXVRBGIVSA-N 1 1 294.402 3.178 20 30 CGEDMO C=C(C)CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C1CC1 ZINC001261414304 807741238 /nfs/dbraw/zinc/74/12/38/807741238.db2.gz QGSKUWZXGCBZMF-GOSISDBHSA-N 1 1 298.430 3.078 20 30 CGEDMO C=CCOC[C@H]1CCC[C@@]12C[N@@H+]([C@@H]1CC[C@H](C)C1)CCO2 ZINC001170145011 807774511 /nfs/dbraw/zinc/77/45/11/807774511.db2.gz REFUFRLTJFANFJ-BSDSXHPESA-N 1 1 293.451 3.249 20 30 CGEDMO CC(=O)[C@@H]1CC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170395935 807833645 /nfs/dbraw/zinc/83/36/45/807833645.db2.gz QVLVKSQFLLBBJM-IPJUCJBFSA-N 1 1 296.414 3.301 20 30 CGEDMO C[N@H+](Cc1cc(C(C)(C)C)n[nH]1)CC1CCC(C#N)CC1 ZINC001262276531 807844927 /nfs/dbraw/zinc/84/49/27/807844927.db2.gz HVCPZFKUSUFBSE-UHFFFAOYSA-N 1 1 288.439 3.469 20 30 CGEDMO C=CC[C@H]1[N@H+](C[C@@H]2CCC3(COC3)O2)CCCC1(C)C ZINC001262276998 807845143 /nfs/dbraw/zinc/84/51/43/807845143.db2.gz VLOPWTPKUSPLKD-LSDHHAIUSA-N 1 1 279.424 3.001 20 30 CGEDMO C=C(C)CCC(=O)N1CC[NH2+][C@H](c2ccc(CC)cc2)C1 ZINC001262623404 807879379 /nfs/dbraw/zinc/87/93/79/807879379.db2.gz BHECWMFGSCCJFV-KRWDZBQOSA-N 1 1 286.419 3.078 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+]([C@@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170716053 807882874 /nfs/dbraw/zinc/88/28/74/807882874.db2.gz OMROTSPKTDIHJD-CZUORRHYSA-N 1 1 276.330 3.058 20 30 CGEDMO C[C@]1(C#N)CC[N@H+]([C@@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170716053 807882881 /nfs/dbraw/zinc/88/28/81/807882881.db2.gz OMROTSPKTDIHJD-CZUORRHYSA-N 1 1 276.330 3.058 20 30 CGEDMO CCCCCCCCC[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC001170784698 807906889 /nfs/dbraw/zinc/90/68/89/807906889.db2.gz WMELAXOTDXYLEW-UHFFFAOYSA-N 1 1 268.445 3.290 20 30 CGEDMO CCCCCCCCC[N@H+]1CCN(C(C)C)C(=O)C1 ZINC001170784698 807906894 /nfs/dbraw/zinc/90/68/94/807906894.db2.gz WMELAXOTDXYLEW-UHFFFAOYSA-N 1 1 268.445 3.290 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)N1CCC([N@@H+](C)C2CC2)CC1 ZINC001171229907 808013388 /nfs/dbraw/zinc/01/33/88/808013388.db2.gz ROBIMJBOYUAXEQ-HNNXBMFYSA-N 1 1 297.446 3.048 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1C[C@H](C)CC12CC2 ZINC001171230044 808014474 /nfs/dbraw/zinc/01/44/74/808014474.db2.gz RVDYDOJRZHPKRQ-KGLIPLIRSA-N 1 1 254.377 3.364 20 30 CGEDMO C=C1CC(C)(C(=O)N(C)C[C@@H]2CC[N@H+]2CCCCCF)C1 ZINC001264370871 808061479 /nfs/dbraw/zinc/06/14/79/808061479.db2.gz LNIDYFNDRKYYLJ-HNNXBMFYSA-N 1 1 296.430 3.015 20 30 CGEDMO CC[N@@H+](CCC#N)[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171490748 808076265 /nfs/dbraw/zinc/07/62/65/808076265.db2.gz ZXNVXTMAIJHFML-ZDUSSCGKSA-N 1 1 264.319 3.058 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[N@H+](CCC(C)C)[C@@H]1C ZINC001264703398 808085776 /nfs/dbraw/zinc/08/57/76/808085776.db2.gz ZMGHGJIOYJDUTA-CABCVRRESA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CCCCC(C)C)[C@H]1C ZINC001264723761 808087416 /nfs/dbraw/zinc/08/74/16/808087416.db2.gz UXHYSJBRGZFCHX-CVEARBPZSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)CC(C)C)[C@H]1C ZINC001264727809 808087784 /nfs/dbraw/zinc/08/77/84/808087784.db2.gz YTXIGGBQGIKUCA-OAGGEKHMSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)CC(C)(C)C ZINC001264737845 808089779 /nfs/dbraw/zinc/08/97/79/808089779.db2.gz MURVVJVXJGEPLJ-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@H+](CC)CC(C)(C)C1 ZINC001264754064 808092886 /nfs/dbraw/zinc/09/28/86/808092886.db2.gz VEOPHJNMQDWGIF-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](CCF)CC(C)(C)C1 ZINC001264753809 808093532 /nfs/dbraw/zinc/09/35/32/808093532.db2.gz ONQORCDTGFDMMI-AWEZNQCLSA-N 1 1 298.446 3.165 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCNC(=O)[C@H](C)c1ccccc1 ZINC001265061137 808106301 /nfs/dbraw/zinc/10/63/01/808106301.db2.gz DYWXOLJAAXYDAP-MRXNPFEDSA-N 1 1 288.435 3.194 20 30 CGEDMO C=C(C)C[N@H+](C)CCCNC(=O)C[C@H]1CCCC[C@@H]1C ZINC001265075294 808107541 /nfs/dbraw/zinc/10/75/41/808107541.db2.gz ZBGNGFIHKZIQLW-JKSUJKDBSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCCNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001265123592 808110630 /nfs/dbraw/zinc/11/06/30/808110630.db2.gz NMQKWEJUSLDBFN-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](CC)CCCCC)C1 ZINC001265233256 808122014 /nfs/dbraw/zinc/12/20/14/808122014.db2.gz PSPQPDRODJWTQS-DLBZAZTESA-N 1 1 292.467 3.197 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC)CCCCC)C1 ZINC001265233256 808122019 /nfs/dbraw/zinc/12/20/19/808122019.db2.gz PSPQPDRODJWTQS-DLBZAZTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C2CCCC2)C1 ZINC001265287926 808127300 /nfs/dbraw/zinc/12/73/00/808127300.db2.gz KNQVXKJGYBMIAP-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C[C@H]1C[C@H](NC2(C#N)CCCC2)C[N@H+]1Cc1ccccc1 ZINC001171730849 808127393 /nfs/dbraw/zinc/12/73/93/808127393.db2.gz ZOXZGEJBZUPXPS-RDJZCZTQSA-N 1 1 283.419 3.075 20 30 CGEDMO C[C@H]1C[C@H](NC2(CC#N)CCCC2)C[N@H+]1Cc1ccccc1 ZINC001171747068 808129615 /nfs/dbraw/zinc/12/96/15/808129615.db2.gz WLMSYWYAFSUSGF-WMZOPIPTSA-N 1 1 297.446 3.465 20 30 CGEDMO C[C@H]1C[C@H]([NH2+]C2(CC#N)CCCC2)CN1Cc1ccccc1 ZINC001171747068 808129622 /nfs/dbraw/zinc/12/96/22/808129622.db2.gz WLMSYWYAFSUSGF-WMZOPIPTSA-N 1 1 297.446 3.465 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001265312450 808130380 /nfs/dbraw/zinc/13/03/80/808130380.db2.gz NSNCBWODUAFNOX-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2(CC)CCCCC2)C1 ZINC001265320009 808131617 /nfs/dbraw/zinc/13/16/17/808131617.db2.gz WFFVLKLOYDORNC-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)CCCCCC)C1 ZINC001265398946 808140130 /nfs/dbraw/zinc/14/01/30/808140130.db2.gz MBERQRLEWDDCDR-KRWDZBQOSA-N 1 1 292.467 3.151 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)cc2C)C1 ZINC001171840042 808148261 /nfs/dbraw/zinc/14/82/61/808148261.db2.gz ABKRSLVZZWCHAF-RHSMWYFYSA-N 1 1 277.383 3.456 20 30 CGEDMO C#CCCCCCC[NH2+][C@@]1(C(=O)OC)CC[C@H](C)CC1 ZINC001171862723 808149129 /nfs/dbraw/zinc/14/91/29/808149129.db2.gz QEQTWTBLVDTJAQ-JCNLHEQBSA-N 1 1 279.424 3.282 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]2C[N@@H+](CCCF)CC[C@H]21 ZINC001265522670 808149973 /nfs/dbraw/zinc/14/99/73/808149973.db2.gz ALXSVECTCNQWPH-HZPDHXFCSA-N 1 1 296.430 3.015 20 30 CGEDMO CC[C@]1(Cc2ccccc2)CCC[N@H+]1CC#CCOC ZINC001171875708 808150282 /nfs/dbraw/zinc/15/02/82/808150282.db2.gz LIPZEEVYMPLKLY-GOSISDBHSA-N 1 1 271.404 3.124 20 30 CGEDMO CC[N@@H+](CCC#N)C1CCC(C(=O)OC(C)(C)C)CC1 ZINC001171928552 808155111 /nfs/dbraw/zinc/15/51/11/808155111.db2.gz LEADHNNIXYYMGM-UHFFFAOYSA-N 1 1 280.412 3.122 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)/C(C)=C\CC)C1 ZINC001265577242 808157037 /nfs/dbraw/zinc/15/70/37/808157037.db2.gz DUWQBQJGDLLZTJ-TYWAAFNRSA-N 1 1 278.440 3.137 20 30 CGEDMO C#CCCC[NH2+][C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171961539 808160272 /nfs/dbraw/zinc/16/02/72/808160272.db2.gz ADDUQYULAPYKLG-SFHVURJKSA-N 1 1 284.447 3.433 20 30 CGEDMO CN(CCC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974910 808163928 /nfs/dbraw/zinc/16/39/28/808163928.db2.gz AXLRPJZFZVQVDU-QGZVFWFLSA-N 1 1 285.435 3.275 20 30 CGEDMO CC[C@@H](C#N)N[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974028 808164137 /nfs/dbraw/zinc/16/41/37/808164137.db2.gz BNRXUZRKDOCMEH-IRXDYDNUSA-N 1 1 285.435 3.321 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C1(C)CC=CC1 ZINC001265651646 808164655 /nfs/dbraw/zinc/16/46/55/808164655.db2.gz NBSDOPMPACNKJU-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C[C@@H](CC#N)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172067697 808170227 /nfs/dbraw/zinc/17/02/27/808170227.db2.gz ROSYBXHUHKLJQH-KANFNMMFSA-N 1 1 297.446 3.464 20 30 CGEDMO C[C@@H](C#N)N(C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172086315 808170394 /nfs/dbraw/zinc/17/03/94/808170394.db2.gz FJOJSCFQHRPWDK-KANFNMMFSA-N 1 1 297.446 3.416 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](CCC(=C)C)C1 ZINC001265705695 808172552 /nfs/dbraw/zinc/17/25/52/808172552.db2.gz MBQAKTSYIJQLGF-CVEARBPZSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)[C@H]1CCC1(C)C ZINC001265908738 808192084 /nfs/dbraw/zinc/19/20/84/808192084.db2.gz XQJBENGHDJIWSK-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCCNC(=O)c1cccc(F)c1 ZINC001266015195 808201739 /nfs/dbraw/zinc/20/17/39/808201739.db2.gz YVKKGEYOYUSVOM-UHFFFAOYSA-N 1 1 292.398 3.234 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)C1C(C)(C)C1(C)C ZINC001266030106 808203965 /nfs/dbraw/zinc/20/39/65/808203965.db2.gz HULAQZCJLZTJQG-UHFFFAOYSA-N 1 1 280.456 3.073 20 30 CGEDMO C#CCCCC(=O)N1CCC[C@@H]([N@H+](C)CCCC(C)C)C1 ZINC001266097143 808210895 /nfs/dbraw/zinc/21/08/95/808210895.db2.gz OUWRYVWOEDCEIA-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)CC)C1 ZINC001266110941 808213116 /nfs/dbraw/zinc/21/31/16/808213116.db2.gz SHEVHZLERXAMPJ-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)C2(CF)CCC2)C1 ZINC001266110373 808213613 /nfs/dbraw/zinc/21/36/13/808213613.db2.gz HBACLXCSGIVXRR-HNNXBMFYSA-N 1 1 296.430 3.015 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCCC1(F)F ZINC001172297582 808219554 /nfs/dbraw/zinc/21/95/54/808219554.db2.gz QBYWYYARADCTQK-SMDDNHRTSA-N 1 1 264.319 3.267 20 30 CGEDMO COCC[C@@H]1CCCC[N@H+]1[C@H](C)Cc1ccc(C#N)cc1 ZINC001172307502 808222930 /nfs/dbraw/zinc/22/29/30/808222930.db2.gz OUGZHQANZOYWNW-QAPCUYQASA-N 1 1 286.419 3.380 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC001172307996 808223201 /nfs/dbraw/zinc/22/32/01/808223201.db2.gz RYVNQXITWPKYQT-CRAIPNDOSA-N 1 1 291.398 3.374 20 30 CGEDMO Cc1ccc(C[N@H+](C)[C@@H](C)Cc2ccc(C#N)cc2)cn1 ZINC001172313568 808224457 /nfs/dbraw/zinc/22/44/57/808224457.db2.gz ZWDXIPZGXOPVGW-HNNXBMFYSA-N 1 1 279.387 3.325 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001266246931 808234197 /nfs/dbraw/zinc/23/41/97/808234197.db2.gz YUWQSEQYMHKRJT-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001266246931 808234202 /nfs/dbraw/zinc/23/42/02/808234202.db2.gz YUWQSEQYMHKRJT-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO CCCCCCCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001266263706 808235381 /nfs/dbraw/zinc/23/53/81/808235381.db2.gz UEABWJAORMGBSB-OAHLLOKOSA-N 1 1 268.445 3.336 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)CC)C1 ZINC001266301988 808238157 /nfs/dbraw/zinc/23/81/57/808238157.db2.gz GZXWAMIGBSGXJO-HUUCEWRRSA-N 1 1 268.445 3.193 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)C2(F)CCCC2)C1 ZINC001266327890 808243406 /nfs/dbraw/zinc/24/34/06/808243406.db2.gz NUXXCEZBOKNUEP-HNNXBMFYSA-N 1 1 298.446 3.430 20 30 CGEDMO CCCCCCC[C@@H](CC)n1c(C)ncc(C[NH3+])c1=N ZINC001172347314 808245680 /nfs/dbraw/zinc/24/56/80/808245680.db2.gz SVXWYZKRWDHIGR-OAHLLOKOSA-N 1 1 278.444 3.441 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@]2(CCNC2=O)C1 ZINC001172355218 808250960 /nfs/dbraw/zinc/25/09/60/808250960.db2.gz AHDKNWMIITYTCH-DOTOQJQBSA-N 1 1 280.456 3.338 20 30 CGEDMO C=CCCC[N@H+](CC)CCNC(=O)c1c(C)oc(C)c1C ZINC001266400436 808257978 /nfs/dbraw/zinc/25/79/78/808257978.db2.gz MMEIPPVQLREPMQ-UHFFFAOYSA-N 1 1 292.423 3.223 20 30 CGEDMO C=CC[N@@H+](CC)CCNC(=O)C[C@H](C)c1ccccc1C ZINC001266420975 808260829 /nfs/dbraw/zinc/26/08/29/808260829.db2.gz OZJIAMQJHPPFJO-INIZCTEOSA-N 1 1 288.435 3.113 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@H]1CNC(=O)CCCCC(C)(C)C ZINC001266464974 808270973 /nfs/dbraw/zinc/27/09/73/808270973.db2.gz MKXZTEFLLINOGJ-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C)C(C)C)C1 ZINC001266469891 808272874 /nfs/dbraw/zinc/27/28/74/808272874.db2.gz VPNLALIPRXNNRB-HOTGVXAUSA-N 1 1 280.456 3.025 20 30 CGEDMO C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](C)[C@@H](C)C2)C1 ZINC001172381407 808273780 /nfs/dbraw/zinc/27/37/80/808273780.db2.gz DIRWHJKUZJXNKB-QKPAOTATSA-N 1 1 294.439 3.188 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)c1ccsc1 ZINC001266482665 808274588 /nfs/dbraw/zinc/27/45/88/808274588.db2.gz GHAYQAARQBPIDF-UKRRQHHQSA-N 1 1 292.448 3.008 20 30 CGEDMO C=CC[N@H+](CCNC(=O)C1(C)CCCCCC1)C1CC1 ZINC001266594615 808293547 /nfs/dbraw/zinc/29/35/47/808293547.db2.gz PDENNHLCLPEYBC-UHFFFAOYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CCNC(=O)[C@]1(C)C=CCC1)C1CC1 ZINC001266606939 808295185 /nfs/dbraw/zinc/29/51/85/808295185.db2.gz JQLJAENOTJJLNY-MAUKXSAKSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)C[N@@H+](CCNC(=O)c1cccc(C2CC2)c1)C1CC1 ZINC001266621545 808298654 /nfs/dbraw/zinc/29/86/54/808298654.db2.gz FDTPOJNESJJRFE-UHFFFAOYSA-N 1 1 298.430 3.334 20 30 CGEDMO C=CCCCC(=O)NC[C@@H]1CCC[N@H+](CC=C(C)C)C1 ZINC001266758529 808313444 /nfs/dbraw/zinc/31/34/44/808313444.db2.gz VFKUCBOTXRSOBA-INIZCTEOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H]2CCCC[N@@H+]2CCC(C)C)C1 ZINC001266855667 808325692 /nfs/dbraw/zinc/32/56/92/808325692.db2.gz FJVIKTQRROJFTJ-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2(C)CCCCC2)C1 ZINC001266895478 808331867 /nfs/dbraw/zinc/33/18/67/808331867.db2.gz OOZUSYWMSAPYKU-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C[C@@H](CCCC#N)[N@@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001172497374 808352877 /nfs/dbraw/zinc/35/28/77/808352877.db2.gz BJJJRMRHNGYKRG-ULQDDVLXSA-N 1 1 277.456 3.408 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001172497374 808352888 /nfs/dbraw/zinc/35/28/88/808352888.db2.gz BJJJRMRHNGYKRG-ULQDDVLXSA-N 1 1 277.456 3.408 20 30 CGEDMO C[C@H](CCCC#N)[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001172496720 808353259 /nfs/dbraw/zinc/35/32/59/808353259.db2.gz PHLWBSNBUFJEDN-MRXNPFEDSA-N 1 1 289.467 3.409 20 30 CGEDMO C[C@H](CCCC#N)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001172496720 808353266 /nfs/dbraw/zinc/35/32/66/808353266.db2.gz PHLWBSNBUFJEDN-MRXNPFEDSA-N 1 1 289.467 3.409 20 30 CGEDMO C[C@H](CCCC#N)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001172496720 808353274 /nfs/dbraw/zinc/35/32/74/808353274.db2.gz PHLWBSNBUFJEDN-MRXNPFEDSA-N 1 1 289.467 3.409 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@@H]1CC(=O)OC(C)(C)C ZINC001172499582 808355220 /nfs/dbraw/zinc/35/52/20/808355220.db2.gz YNHFFMFZQZMPLS-ZIAGYGMSSA-N 1 1 280.412 3.265 20 30 CGEDMO CC(C)[N@@H+](CCNC(=O)OC(C)(C)C)[C@@H](C)CCCC#N ZINC001172500389 808355690 /nfs/dbraw/zinc/35/56/90/808355690.db2.gz NEIWFZBDPZFSTF-AWEZNQCLSA-N 1 1 297.443 3.304 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@@H]([N@@H+](C)CC2CCC2)C1 ZINC001267103717 808357445 /nfs/dbraw/zinc/35/74/45/808357445.db2.gz DWPZEHGPRPVUFT-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC001172506951 808362044 /nfs/dbraw/zinc/36/20/44/808362044.db2.gz MKDRGWCIVFFBDF-KBPBESRZSA-N 1 1 295.427 3.058 20 30 CGEDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@@H](C)CCCC#N ZINC001172508829 808365823 /nfs/dbraw/zinc/36/58/23/808365823.db2.gz HFPOZGKEUMUYNG-ZDUSSCGKSA-N 1 1 274.364 3.320 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CCCNC(=O)CC(C)(C)C ZINC001267160172 808371855 /nfs/dbraw/zinc/37/18/55/808371855.db2.gz CCZUVOLPMFCNEJ-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(CC)s1 ZINC001267205809 808382033 /nfs/dbraw/zinc/38/20/33/808382033.db2.gz AILBKRFXBFBFCW-ZDUSSCGKSA-N 1 1 294.464 3.327 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](CCC)C(C)C)C1 ZINC001267302712 808408993 /nfs/dbraw/zinc/40/89/93/808408993.db2.gz HBOMKFWHLOMNMN-IRXDYDNUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)CC[N@H+](CCNC(=O)[C@H]1CCC[C@@H](C)C1)C1CC1 ZINC001267331450 808417066 /nfs/dbraw/zinc/41/70/66/808417066.db2.gz HPXDMFFFRSFSOJ-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172722026 808419292 /nfs/dbraw/zinc/41/92/92/808419292.db2.gz NAEXRQVPVNTOEN-BLLLJJGKSA-N 1 1 259.780 3.152 20 30 CGEDMO C=C(C)CC[N@@H+](CCNC(=O)C1CCC=CCC1)C1CC1 ZINC001267338457 808419320 /nfs/dbraw/zinc/41/93/20/808419320.db2.gz XGWRUFSAZKTGKF-UHFFFAOYSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001267409949 808424148 /nfs/dbraw/zinc/42/41/48/808424148.db2.gz KOPVGONFKVKYIY-IYBDPMFKSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001267423637 808424504 /nfs/dbraw/zinc/42/45/04/808424504.db2.gz RRJUZWJGVMHZRB-OIISXLGYSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCCC ZINC001267417868 808424671 /nfs/dbraw/zinc/42/46/71/808424671.db2.gz PHSXSODWYPARGQ-GASCZTMLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H](F)C(C)C)C1 ZINC001267473212 808430415 /nfs/dbraw/zinc/43/04/15/808430415.db2.gz BFBJWSBNISGZFS-CVEARBPZSA-N 1 1 298.446 3.260 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)C2(F)CCCCC2)C1 ZINC001267487370 808432345 /nfs/dbraw/zinc/43/23/45/808432345.db2.gz CARQJZNLGMVYOS-OAHLLOKOSA-N 1 1 296.430 3.158 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)CC(C)(C)C=C)C1 ZINC001267581963 808451269 /nfs/dbraw/zinc/45/12/69/808451269.db2.gz GMNKPMDWQMAQMF-MRXNPFEDSA-N 1 1 292.467 3.335 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@](C)(F)CCCC)C1 ZINC001267585887 808453397 /nfs/dbraw/zinc/45/33/97/808453397.db2.gz FMLLZSRODUVSBR-DOTOQJQBSA-N 1 1 298.446 3.261 20 30 CGEDMO CC#CC[N@H+](C)C[C@H]1CCN(C(=O)C(CC)(CC)CC)C1 ZINC001267592088 808453884 /nfs/dbraw/zinc/45/38/84/808453884.db2.gz NEHBPCKYZAPWSE-MRXNPFEDSA-N 1 1 292.467 3.006 20 30 CGEDMO CC#CC[N@H+](C)CC1CCN(C(=O)C(C)(CC)CC)CC1 ZINC001267604579 808457004 /nfs/dbraw/zinc/45/70/04/808457004.db2.gz WSVVTADVFHUEIF-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCCCC(=O)N1CCC(C[N@@H+](C)C/C=C/Cl)CC1 ZINC001267603348 808457246 /nfs/dbraw/zinc/45/72/46/808457246.db2.gz PROIQQPLMJHDRK-UXBLZVDNSA-N 1 1 298.858 3.266 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)C(C)=C2CCC2)C1 ZINC001267646886 808463855 /nfs/dbraw/zinc/46/38/55/808463855.db2.gz SKCFRHLXABGCOK-MRXNPFEDSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1C ZINC001267701082 808472835 /nfs/dbraw/zinc/47/28/35/808472835.db2.gz WDSICISUXZCOIA-IKGGRYGDSA-N 1 1 298.430 3.248 20 30 CGEDMO C=CCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCCCF ZINC001267712774 808474055 /nfs/dbraw/zinc/47/40/55/808474055.db2.gz UCFYBTKFZFXYLH-GJZGRUSLSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C(C)C)C1 ZINC001267730794 808478057 /nfs/dbraw/zinc/47/80/57/808478057.db2.gz ADAYJOLCKSSFPY-CVEARBPZSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)CC(C)(C)C=C)C1 ZINC001267743534 808481747 /nfs/dbraw/zinc/48/17/47/808481747.db2.gz WNHYGVUYXPOKSS-LSDHHAIUSA-N 1 1 278.440 3.134 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC(C[N@@H+](C)CC(=C)C)CC1 ZINC001267745813 808483123 /nfs/dbraw/zinc/48/31/23/808483123.db2.gz GTQBTWGNIWWGPA-GOSISDBHSA-N 1 1 292.467 3.335 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CC(C)(C)C)C1 ZINC001267756190 808484417 /nfs/dbraw/zinc/48/44/17/808484417.db2.gz ASEWTTYALRAISV-HUUCEWRRSA-N 1 1 280.456 3.310 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccc(F)s2)C1 ZINC001267753790 808484992 /nfs/dbraw/zinc/48/49/92/808484992.db2.gz MWYMQWWVMBRHGN-VXGBXAGGSA-N 1 1 296.411 3.046 20 30 CGEDMO C=C[C@H](CC)CC(=O)N(C)[C@H]1CC[N@@H+](CCC(=C)C)C1 ZINC001267770957 808489163 /nfs/dbraw/zinc/48/91/63/808489163.db2.gz WCRLEKHPUZXKMO-CVEARBPZSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCCC(=O)N(CC)[C@@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001267790861 808493478 /nfs/dbraw/zinc/49/34/78/808493478.db2.gz NDPOUMGOBGNIER-MRXNPFEDSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H](C)C2CCCC2)C1 ZINC001267789690 808494030 /nfs/dbraw/zinc/49/40/30/808494030.db2.gz JZFWJISJMQDCEF-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001268112304 808543289 /nfs/dbraw/zinc/54/32/89/808543289.db2.gz MSOADWBSPOFKMR-JKSUJKDBSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C[C@H](C(=O)N[C@H]1CCC[N@H+](CC(=C)C)C1)c1ccccc1 ZINC001268236687 808566131 /nfs/dbraw/zinc/56/61/31/808566131.db2.gz MUKUJVDUUCHBKN-ROUUACIJSA-N 1 1 298.430 3.113 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@@H](C)C1 ZINC001268248064 808567794 /nfs/dbraw/zinc/56/77/94/808567794.db2.gz RWJRMAYVDRKCAK-HZPDHXFCSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CC[C@@H](CC)C1 ZINC001173268336 808572692 /nfs/dbraw/zinc/57/26/92/808572692.db2.gz WKLFQRBSAAJPKT-KFWWJZLASA-N 1 1 267.413 3.299 20 30 CGEDMO CCCCCCCC[C@H](CCC)[N@H+]1C[C@H](O)[C@H](CO)C1 ZINC001173309231 808605069 /nfs/dbraw/zinc/60/50/69/808605069.db2.gz GKONLYQCLDRROZ-ULQDDVLXSA-N 1 1 285.472 3.191 20 30 CGEDMO C=CCOC1CCC([NH2+]C2CCN(CC(C)C)CC2)CC1 ZINC001173317847 808610071 /nfs/dbraw/zinc/61/00/71/808610071.db2.gz KLRJSRJSBHMWPS-UHFFFAOYSA-N 1 1 294.483 3.210 20 30 CGEDMO C=CCOC1CCC([N@H+]2C[C@H]3CCC[C@@]3(COC)C2)CC1 ZINC001173322049 808611228 /nfs/dbraw/zinc/61/12/28/808611228.db2.gz XNMJQSFRCLHZBN-CPFNUKBASA-N 1 1 293.451 3.249 20 30 CGEDMO C=CCOC1CCC([N@@H+](C)Cc2cnc3ccccn23)CC1 ZINC001173321666 808611535 /nfs/dbraw/zinc/61/15/35/808611535.db2.gz NZHAUSQSUMQXGD-UHFFFAOYSA-N 1 1 299.418 3.280 20 30 CGEDMO C=CCOC1CCC([N@H+]2CC[C@]3(CC3(F)F)C2)CC1 ZINC001173327814 808613831 /nfs/dbraw/zinc/61/38/31/808613831.db2.gz SXILDOARATXZHW-RUXDESIVSA-N 1 1 271.351 3.231 20 30 CGEDMO CN1CC[N@@H+](C2CCC(CC#N)CC2)[C@H](c2ccccc2)C1 ZINC001173331464 808616088 /nfs/dbraw/zinc/61/60/88/808616088.db2.gz DTVAZVQFILRXCB-KVZIAJEVSA-N 1 1 297.446 3.448 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)c1cc(F)ccc1CC ZINC001268737661 808618519 /nfs/dbraw/zinc/61/85/19/808618519.db2.gz LRVKFOJFNSJHII-ZDUSSCGKSA-N 1 1 292.398 3.014 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccsc1 ZINC001268922336 808636525 /nfs/dbraw/zinc/63/65/25/808636525.db2.gz NEXKUZIDJLVGMG-QEJZJMRPSA-N 1 1 290.432 3.002 20 30 CGEDMO C=CCCCC[N@H+](C)[C@@H](C)CCCCC(=O)OC ZINC001173462819 808642443 /nfs/dbraw/zinc/64/24/43/808642443.db2.gz YOPQFCGLHMBSLU-AWEZNQCLSA-N 1 1 255.402 3.396 20 30 CGEDMO C[C@@H]1CC[N@@H+](C2CCC(C)(C#N)CC2)CC1(F)F ZINC001173594051 808649837 /nfs/dbraw/zinc/64/98/37/808649837.db2.gz PYCQNYMKAYNDIJ-PNESKVBLSA-N 1 1 256.340 3.436 20 30 CGEDMO C[C@@H]1CC[N@H+](C2CCC(C)(C#N)CC2)CC1(F)F ZINC001173594051 808649841 /nfs/dbraw/zinc/64/98/41/808649841.db2.gz PYCQNYMKAYNDIJ-PNESKVBLSA-N 1 1 256.340 3.436 20 30 CGEDMO Cc1nnc([C@@H]2CCC[N@H+](C3CCC(C)(C#N)CC3)C2)o1 ZINC001173597772 808651503 /nfs/dbraw/zinc/65/15/03/808651503.db2.gz ILQBQXAIPXDYQV-VQCLRJIVSA-N 1 1 288.395 3.030 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C)cs2)C1 ZINC001269233903 808658727 /nfs/dbraw/zinc/65/87/27/808658727.db2.gz MJYHYJDVTJIQBY-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)CC(C)=C(C)C)C1 ZINC001269264399 808662019 /nfs/dbraw/zinc/66/20/19/808662019.db2.gz XKZPKIOCXONYDH-MRXNPFEDSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H](C)C2CCC2)C1 ZINC001269332439 808670850 /nfs/dbraw/zinc/67/08/50/808670850.db2.gz QVYXBHHWZRPPSM-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)C3(C)CC3)C2)C1 ZINC001269732294 808702189 /nfs/dbraw/zinc/70/21/89/808702189.db2.gz QPYTYZSUCMWGSS-MAUKXSAKSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)/C=C(\C)CC)CC1 ZINC001270225795 808722998 /nfs/dbraw/zinc/72/29/98/808722998.db2.gz OOCVZTQVYGMRKY-ZRDIBKRKSA-N 1 1 284.831 3.066 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@](C)(NC(=O)/C=C(\C)CC)C1 ZINC001270584651 808737747 /nfs/dbraw/zinc/73/77/47/808737747.db2.gz UXCNNIKYDYABGG-YTLDMCMYSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@]1(C)CC[N@H+](CCC(=C)C)C1 ZINC001270589597 808738485 /nfs/dbraw/zinc/73/84/85/808738485.db2.gz ITVOGKBFNVOEDS-QGZVFWFLSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC(C)C)C2 ZINC001271721587 808780819 /nfs/dbraw/zinc/78/08/19/808780819.db2.gz QGFYQTPGAURGGN-QDMKHBRRSA-N 1 1 298.858 3.144 20 30 CGEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C/C=C(/C)C=C)C2 ZINC001271743607 808781201 /nfs/dbraw/zinc/78/12/01/808781201.db2.gz FUZIYGCJSOHEQL-CWLDOVCUSA-N 1 1 288.435 3.054 20 30 CGEDMO C=CCC[N@H+]1C[C@H]2CN(C(=O)C(CCC)CCC)C[C@H]2C1 ZINC001271873482 808787135 /nfs/dbraw/zinc/78/71/35/808787135.db2.gz HTGUILFOOSRQNU-CALCHBBNSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)CC[C@@H](C)CC)C[C@H]2C1 ZINC001271886955 808787417 /nfs/dbraw/zinc/78/74/17/808787417.db2.gz CNKDMLALVVGVAL-YESZJQIVSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC1(C(=O)N(C)CC[N@H+](C)CC2CC(C)C2)CCC1 ZINC001272106778 808797807 /nfs/dbraw/zinc/79/78/07/808797807.db2.gz YXZBDOHZTGXMCI-UHFFFAOYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)CC=C)CC[C@H]21 ZINC001272223531 808802385 /nfs/dbraw/zinc/80/23/85/808802385.db2.gz GGURNRDFCXKWSB-HZPDHXFCSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2CCCCC ZINC001272471161 808810546 /nfs/dbraw/zinc/81/05/46/808810546.db2.gz NGZWNPAXVORHJA-KRWDZBQOSA-N 1 1 278.440 3.210 20 30 CGEDMO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2CCCCCC)C1=O ZINC001272477892 808811535 /nfs/dbraw/zinc/81/15/35/808811535.db2.gz XKTNHTAJMBPNMA-KRWDZBQOSA-N 1 1 278.440 3.210 20 30 CGEDMO C=CCN1CC[C@@]2(CCC[N@H+](CCCCCC)CC2)C1=O ZINC001272475412 808812355 /nfs/dbraw/zinc/81/23/55/808812355.db2.gz DTZSECBOHVAICL-SFHVURJKSA-N 1 1 292.467 3.457 20 30 CGEDMO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCC(C)(C)C ZINC001272495598 808813938 /nfs/dbraw/zinc/81/39/38/808813938.db2.gz OJLKYMNWMOFDRQ-HUUCEWRRSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2ccccc2C)C1=O ZINC001272639759 808818216 /nfs/dbraw/zinc/81/82/16/808818216.db2.gz WVZQOJKFSXZPOE-LJQANCHMSA-N 1 1 298.430 3.138 20 30 CGEDMO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2cccc(C)c2)C1=O ZINC001272906726 808826996 /nfs/dbraw/zinc/82/69/96/808826996.db2.gz FAMLROJIBLMDPH-LJQANCHMSA-N 1 1 298.430 3.138 20 30 CGEDMO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C)cc1 ZINC001272972543 808829369 /nfs/dbraw/zinc/82/93/69/808829369.db2.gz UIKIPBQCQCEZKJ-LJQANCHMSA-N 1 1 298.430 3.138 20 30 CGEDMO N#Cc1cc2cccnc2nc1Nc1cc[nH+]c2ccccc12 ZINC001174037390 808834675 /nfs/dbraw/zinc/83/46/75/808834675.db2.gz RKFLFDWEXWOQRC-UHFFFAOYSA-N 1 1 297.321 3.215 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC)CCCC)CC1 ZINC001273394096 808842227 /nfs/dbraw/zinc/84/22/27/808842227.db2.gz WRAHIMRBTIGTNJ-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CCCC1 ZINC001273493339 808848467 /nfs/dbraw/zinc/84/84/67/808848467.db2.gz XDGJLFUCFLVDCV-IAGOWNOFSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2CC(C)(C)C ZINC001273532738 808852804 /nfs/dbraw/zinc/85/28/04/808852804.db2.gz OHBXEMVASWMMNW-QGZVFWFLSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@H+](C)CCCN(C)C(=O)[C@H](C)[C@H](C)C(C)(C)C ZINC001273571930 808854474 /nfs/dbraw/zinc/85/44/74/808854474.db2.gz SHCDPFCYFCJAOX-CABCVRRESA-N 1 1 282.472 3.271 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)[C@H](C)c1cccs1 ZINC001273561064 808854637 /nfs/dbraw/zinc/85/46/37/808854637.db2.gz URXXGZILMGDZTA-CQSZACIVSA-N 1 1 294.464 3.208 20 30 CGEDMO C=C(C)CN1CC[C@@]2(CCC[N@H+](C3CCCC3)CC2)C1=O ZINC001274025088 808866121 /nfs/dbraw/zinc/86/61/21/808866121.db2.gz OSVXCCUHELVCOP-SFHVURJKSA-N 1 1 290.451 3.210 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](C/C=C/Cl)[C@@H](C)C1 ZINC001274622049 808879975 /nfs/dbraw/zinc/87/99/75/808879975.db2.gz ADONYEMIFFCPIW-JFILWDKHSA-N 1 1 284.831 3.064 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)CSC(C)C ZINC001275086979 808906849 /nfs/dbraw/zinc/90/68/49/808906849.db2.gz IMNPXPUYHNCGRP-OAHLLOKOSA-N 1 1 298.496 3.017 20 30 CGEDMO C#CCCCCC(=O)N1CCC[C@H]1C[N@@H+](C)CC=C(C)C ZINC001275099848 808908020 /nfs/dbraw/zinc/90/80/20/808908020.db2.gz AFVXXQFEJPDZNW-KRWDZBQOSA-N 1 1 290.451 3.069 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC(C)(C)C1 ZINC001275144343 808914969 /nfs/dbraw/zinc/91/49/69/808914969.db2.gz YAHSPYMUVQQYGR-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@H]2C[N@H+](C)C[C@@H](C)CC)C1 ZINC001275143416 808914989 /nfs/dbraw/zinc/91/49/89/808914989.db2.gz LNZUPWAPSBLDLO-HOCLYGCPSA-N 1 1 292.467 3.312 20 30 CGEDMO Cc1ccc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)cn1 ZINC001174280684 808929935 /nfs/dbraw/zinc/92/99/35/808929935.db2.gz OTFJQYRUSLZHPK-UHFFFAOYSA-N 1 1 284.388 3.055 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)CNC(=O)CCCc1ccc(C)s1 ZINC001276021618 808984897 /nfs/dbraw/zinc/98/48/97/808984897.db2.gz VYIASEYARBHPHK-ZDUSSCGKSA-N 1 1 294.464 3.002 20 30 CGEDMO C#Cc1cccnc1NC1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001174393005 808993123 /nfs/dbraw/zinc/99/31/23/808993123.db2.gz OYOKCHCEZMILAH-UHFFFAOYSA-N 1 1 289.382 3.265 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)CC(C)C ZINC001276278339 808998163 /nfs/dbraw/zinc/99/81/63/808998163.db2.gz PTYNPBZBNZHVNW-CQSZACIVSA-N 1 1 286.847 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)CC(C)C ZINC001276278339 808998168 /nfs/dbraw/zinc/99/81/68/808998168.db2.gz PTYNPBZBNZHVNW-CQSZACIVSA-N 1 1 286.847 3.146 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[N@H+](CCCCCC)CC1(C)C ZINC001276560762 809016149 /nfs/dbraw/zinc/01/61/49/809016149.db2.gz FEPSCAZMNOPHAF-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)CC(C)(C)C2CC2)C(C)(C)C1 ZINC001276578676 809019361 /nfs/dbraw/zinc/01/93/61/809019361.db2.gz HWVMNCKVXQJPRG-HNNXBMFYSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)C(C)(C)CC(C)C)C(C)(C)C1 ZINC001276616257 809021828 /nfs/dbraw/zinc/02/18/28/809021828.db2.gz VAQROINKYVABSL-AWEZNQCLSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)CCCCCC)C(C)(C)C1 ZINC001276623870 809023187 /nfs/dbraw/zinc/02/31/87/809023187.db2.gz GMLLHXVQXPNPDF-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CC(=C)C)C[C@H]2C1 ZINC001276829332 809036427 /nfs/dbraw/zinc/03/64/27/809036427.db2.gz GRSBOAXYNLXXNI-BRWVUGGUSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CNC(=O)C[C@H](C)C1CCCCC1 ZINC001276940024 809047165 /nfs/dbraw/zinc/04/71/65/809047165.db2.gz JEOZXNVHZFEFHU-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CC[C@H]2C[C@]21C(=O)N(C)C ZINC001277167082 809060250 /nfs/dbraw/zinc/06/02/50/809060250.db2.gz GSTJQPILKAOZRP-DOTOQJQBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCCCCC[N@H+]1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)N(C)C ZINC001277159379 809060491 /nfs/dbraw/zinc/06/04/91/809060491.db2.gz FKMZGXNEDFADQU-BJWYYQGGSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CC[C@]2(CCC[C@H]2C(N)=O)C1 ZINC001277167354 809060950 /nfs/dbraw/zinc/06/09/50/809060950.db2.gz RVSWLNCGTLPRLE-FUHWJXTLSA-N 1 1 292.467 3.491 20 30 CGEDMO CCCCCCCC[N@H+]1C[C@H]2C[C@@]2(C(=O)N2CC=CC2)C1 ZINC001277230602 809064472 /nfs/dbraw/zinc/06/44/72/809064472.db2.gz AFOUWYIQTYTJRN-SJLPKXTDSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@@H]1[C@H]1CC[N@H+](CC(=C)C)C1 ZINC001277282500 809067317 /nfs/dbraw/zinc/06/73/17/809067317.db2.gz BZYOHYQJXBDVPK-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC)C1 ZINC001277286272 809067786 /nfs/dbraw/zinc/06/77/86/809067786.db2.gz XCHYUOSATWUKIH-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO C#CCC[N@H+](C)C1CCN(C(=O)[C@H](CC)CC(C)C)CC1 ZINC001277434721 809076371 /nfs/dbraw/zinc/07/63/71/809076371.db2.gz FZLYKCRQZRXXLP-MRXNPFEDSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)CCCCC)C2)C1 ZINC001277502665 809077039 /nfs/dbraw/zinc/07/70/39/809077039.db2.gz RQCOQEHRANMNRK-QGZVFWFLSA-N 1 1 278.440 3.067 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)CCC)C2)C1 ZINC001277510161 809078549 /nfs/dbraw/zinc/07/85/49/809078549.db2.gz USZDWWJPOOGOTL-CZUORRHYSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)CCC)C2)C1 ZINC001277510161 809078555 /nfs/dbraw/zinc/07/85/55/809078555.db2.gz USZDWWJPOOGOTL-CZUORRHYSA-N 1 1 298.858 3.100 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)/C=C\C(C)(C)C)C2)C1 ZINC001277509564 809079040 /nfs/dbraw/zinc/07/90/40/809079040.db2.gz NOCZLRLTXKRDCE-JTHGQSKGSA-N 1 1 290.451 3.089 20 30 CGEDMO CCCC[C@@H](CC)C[N@H+]1CCC2(CN(CCC#N)C2)C1 ZINC001277936310 809107154 /nfs/dbraw/zinc/10/71/54/809107154.db2.gz FTFNIEFPANXJSR-MRXNPFEDSA-N 1 1 277.456 3.124 20 30 CGEDMO CCCCCCCCCCC[N@H+]1CC[C@@H]2C[C@@]21C(N)=O ZINC001278182215 809118440 /nfs/dbraw/zinc/11/84/40/809118440.db2.gz RCKDVAOIZPBDQQ-WBVHZDCISA-N 1 1 280.456 3.467 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@]1(C)CC[N@H+](C/C=C\Cl)C1 ZINC001278394593 809129650 /nfs/dbraw/zinc/12/96/50/809129650.db2.gz BZVSWCREOUOQLJ-CXSQMQJXSA-N 1 1 296.842 3.088 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@]1(C)CC[N@@H+](C/C=C\Cl)C1 ZINC001278394593 809129652 /nfs/dbraw/zinc/12/96/52/809129652.db2.gz BZVSWCREOUOQLJ-CXSQMQJXSA-N 1 1 296.842 3.088 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)C(CC)CC)CCC[C@H]12 ZINC001278431798 809133420 /nfs/dbraw/zinc/13/34/20/809133420.db2.gz RIYFUPWMMQEWHA-HOCLYGCPSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)C(CC)CC)CCC[C@H]12 ZINC001278431798 809133424 /nfs/dbraw/zinc/13/34/24/809133424.db2.gz RIYFUPWMMQEWHA-HOCLYGCPSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)CC(CC)CC)C1 ZINC001278432316 809134064 /nfs/dbraw/zinc/13/40/64/809134064.db2.gz CSMVNDUZCKWCPR-HNNXBMFYSA-N 1 1 286.847 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)CC(CC)CC)C1 ZINC001278432316 809134071 /nfs/dbraw/zinc/13/40/71/809134071.db2.gz CSMVNDUZCKWCPR-HNNXBMFYSA-N 1 1 286.847 3.146 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CCC[N@H+](CCC)[C@@H]2C)CCC1 ZINC001278522479 809140310 /nfs/dbraw/zinc/14/03/10/809140310.db2.gz YDTIVXHVPHZMEP-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C2(CC)CC2)[C@H]1C ZINC001278522521 809140358 /nfs/dbraw/zinc/14/03/58/809140358.db2.gz YZORGJUZIOYZNQ-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)[C@@H]1CCC[C@@H](F)C1)C(C)C ZINC001278908857 809155106 /nfs/dbraw/zinc/15/51/06/809155106.db2.gz YWWXGFHMNBXURI-HZPDHXFCSA-N 1 1 298.446 3.260 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)[C@H]1C[C@H]1C1CCCC1)C(C)C ZINC001278926625 809156672 /nfs/dbraw/zinc/15/66/72/809156672.db2.gz SLSXRJPWJVIVHI-IRXDYDNUSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)c1cccc(Cl)c1)C(C)C ZINC001278926247 809156960 /nfs/dbraw/zinc/15/69/60/809156960.db2.gz FDTGSVIIRVWBMV-UHFFFAOYSA-N 1 1 294.826 3.308 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)CC2CCC2)CC1 ZINC001279528149 809173881 /nfs/dbraw/zinc/17/38/81/809173881.db2.gz QUESGMVUPIHPAQ-HNNXBMFYSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC[C@H](C)F ZINC001279567732 809174752 /nfs/dbraw/zinc/17/47/52/809174752.db2.gz YSNKGGJJJPIFJU-ARFHVFGLSA-N 1 1 296.430 3.156 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)[C@]2(C)CCC[C@@H]2CC)CC1 ZINC001279583393 809175695 /nfs/dbraw/zinc/17/56/95/809175695.db2.gz YDRWLWMONCFRMB-FUHWJXTLSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)[C@]2(C)CCC[C@H]2CC)CC1 ZINC001279583394 809176447 /nfs/dbraw/zinc/17/64/47/809176447.db2.gz YDRWLWMONCFRMB-SJLPKXTDSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC[N@@H+]1CCc2c(CNC(=O)C(C)(C)C=C)cccc2C1 ZINC001280426795 809189003 /nfs/dbraw/zinc/18/90/03/809189003.db2.gz GKLXTQJFDHFNKE-UHFFFAOYSA-N 1 1 298.430 3.059 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)c1ccc(C)s1 ZINC001280781174 809198956 /nfs/dbraw/zinc/19/89/56/809198956.db2.gz HNORZPADEZJZEP-UHFFFAOYSA-N 1 1 294.464 3.417 20 30 CGEDMO C=CCCC[N@H+](C)CCCN(C)C(=O)c1ccccc1F ZINC001280781742 809199248 /nfs/dbraw/zinc/19/92/48/809199248.db2.gz OZOJKWRPSDXWHM-UHFFFAOYSA-N 1 1 292.398 3.186 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H](C)CC)C2 ZINC001281086224 809206105 /nfs/dbraw/zinc/20/61/05/809206105.db2.gz OYDDGDBQRHCZBF-FUHWJXTLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H](C)CC)C2 ZINC001281086229 809206307 /nfs/dbraw/zinc/20/63/07/809206307.db2.gz OYDDGDBQRHCZBF-WMZOPIPTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC(C)C)C(C)(C)C1 ZINC001281536293 809213606 /nfs/dbraw/zinc/21/36/06/809213606.db2.gz HHCGXGYSHFKSPL-CYBMUJFWSA-N 1 1 286.847 3.002 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC(C)C)C(C)(C)C1 ZINC001281536293 809213608 /nfs/dbraw/zinc/21/36/08/809213608.db2.gz HHCGXGYSHFKSPL-CYBMUJFWSA-N 1 1 286.847 3.002 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(CC)CC)C(C)(C)C1 ZINC001281541220 809213727 /nfs/dbraw/zinc/21/37/27/809213727.db2.gz KZBOHWXMHYRXJT-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2)C[C@H]1C ZINC001281644620 809216179 /nfs/dbraw/zinc/21/61/79/809216179.db2.gz MUUHLZXRFMUYLH-NVXWUHKLSA-N 1 1 286.419 3.236 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)C[C@H](C)CCC ZINC001281917947 809223544 /nfs/dbraw/zinc/22/35/44/809223544.db2.gz YDTZUPVIETVZML-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)c1cccc(C)c1 ZINC001282468926 809250310 /nfs/dbraw/zinc/25/03/10/809250310.db2.gz NTWNJEYEYGOHRU-JKSUJKDBSA-N 1 1 288.435 3.111 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)CC2(C)CC2)CC1 ZINC001283316776 809275944 /nfs/dbraw/zinc/27/59/44/809275944.db2.gz HTOMGFIBEPZUGX-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCCC(=O)N[C@]12CCC[C@@H]1[N@@H+](CCCC)CC2 ZINC001284070334 809295629 /nfs/dbraw/zinc/29/56/29/809295629.db2.gz SMZKTWKBNINHFB-RDJZCZTQSA-N 1 1 278.440 3.256 20 30 CGEDMO C[N@H+]1CCC=C(Nc2ccc(N3CCCCC3)c(C#N)c2)C1 ZINC001175581154 809461998 /nfs/dbraw/zinc/46/19/98/809461998.db2.gz ZJRKPIKIUXNNHX-UHFFFAOYSA-N 1 1 296.418 3.180 20 30 CGEDMO C=C[C@@H](C(=O)N[C@@H](C)C[N@H+](CC)CCC)c1ccccc1 ZINC001298874552 809541171 /nfs/dbraw/zinc/54/11/71/809541171.db2.gz ACBNANZVRRDXNI-DOTOQJQBSA-N 1 1 288.435 3.193 20 30 CGEDMO C#Cc1cccc(Nc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC001175857132 809558589 /nfs/dbraw/zinc/55/85/89/809558589.db2.gz CDNKRFIIEIVEPD-UHFFFAOYSA-N 1 1 292.382 3.244 20 30 CGEDMO CCCC1(CCC)CCC[N@H+]1CC(=O)N(CC)CCC#N ZINC001175890673 809565192 /nfs/dbraw/zinc/56/51/92/809565192.db2.gz KGLIIKRCMSMVRT-UHFFFAOYSA-N 1 1 293.455 3.183 20 30 CGEDMO C#Cc1cccc(Nc2cc[nH+]cc2C(F)(F)F)c1 ZINC001175972972 809587530 /nfs/dbraw/zinc/58/75/30/809587530.db2.gz LREUHXPMDYEVFZ-UHFFFAOYSA-N 1 1 262.234 3.247 20 30 CGEDMO C#CC[N@@H+](Cc1cc(F)cc(Br)c1)C(C)C ZINC001176373650 809681671 /nfs/dbraw/zinc/68/16/71/809681671.db2.gz VRFPPQVBAIEULR-UHFFFAOYSA-N 1 1 284.172 3.432 20 30 CGEDMO C#C[C@@H]1CCCC[N@@H+]1Cc1cnc(OC)c2ccccc12 ZINC001176832760 809764277 /nfs/dbraw/zinc/76/42/77/809764277.db2.gz HVOCMUQVHDPTSG-OAHLLOKOSA-N 1 1 280.371 3.231 20 30 CGEDMO C#C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Cl)cc1 ZINC001176833590 809765387 /nfs/dbraw/zinc/76/53/87/809765387.db2.gz YHIYTKBIOHMVQX-OAHLLOKOSA-N 1 1 290.794 3.156 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1cc(C)c(C2OCCO2)cc1C ZINC001179772396 809944241 /nfs/dbraw/zinc/94/42/41/809944241.db2.gz ZBLYRJNLQYJRKX-OAHLLOKOSA-N 1 1 288.391 3.131 20 30 CGEDMO COc1ccc(SCC[N@H+](C)[C@H](C)CC#N)cc1 ZINC001180030413 809968892 /nfs/dbraw/zinc/96/88/92/809968892.db2.gz LPEIKYQNKXHRSV-GFCCVEGCSA-N 1 1 264.394 3.021 20 30 CGEDMO COc1ccc(SCC[N@@H+](C)[C@H](C)CC#N)cc1 ZINC001180030413 809968894 /nfs/dbraw/zinc/96/88/94/809968894.db2.gz LPEIKYQNKXHRSV-GFCCVEGCSA-N 1 1 264.394 3.021 20 30 CGEDMO C#C[C@H]([NH2+][C@H](C)[C@@H]1CCCO1)c1ccc(Cl)cc1F ZINC001181697132 810066895 /nfs/dbraw/zinc/06/68/95/810066895.db2.gz FQONLYGGIZXKTG-ONERCXAPSA-N 1 1 281.758 3.311 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001182604060 810117165 /nfs/dbraw/zinc/11/71/65/810117165.db2.gz CXEVDORLZBSDPA-AWEZNQCLSA-N 1 1 272.348 3.057 20 30 CGEDMO COc1ccc(SCC[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC001182856131 810127478 /nfs/dbraw/zinc/12/74/78/810127478.db2.gz SVIWLFLJRFPPBZ-AWEZNQCLSA-N 1 1 290.432 3.413 20 30 CGEDMO N#Cc1c(F)cccc1C[N@@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC001183801947 810162637 /nfs/dbraw/zinc/16/26/37/810162637.db2.gz UASYMFVBHJELDM-APWZRJJASA-N 1 1 292.357 3.471 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC001183801947 810162643 /nfs/dbraw/zinc/16/26/43/810162643.db2.gz UASYMFVBHJELDM-APWZRJJASA-N 1 1 292.357 3.471 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3ccccc3)[C@@H]2C1 ZINC001186673857 810356678 /nfs/dbraw/zinc/35/66/78/810356678.db2.gz AWODADKPBOBLEK-BPQIPLTHSA-N 1 1 298.430 3.188 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C=C2CCCCC2)C1 ZINC001189150484 810544934 /nfs/dbraw/zinc/54/49/34/810544934.db2.gz CGMWVACASVGWNB-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)CCC)C1 ZINC001189271100 810552646 /nfs/dbraw/zinc/55/26/46/810552646.db2.gz XDFRTTUUGOQXBO-JSGCOSHPSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)CCC)C1 ZINC001189271100 810552651 /nfs/dbraw/zinc/55/26/51/810552651.db2.gz XDFRTTUUGOQXBO-JSGCOSHPSA-N 1 1 286.847 3.098 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]([N@@H+](C)CC2CC3(CCC3)C2)C1 ZINC001189318752 810556748 /nfs/dbraw/zinc/55/67/48/810556748.db2.gz OSUNIWQHMSIPJI-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)CC2CCC2)C1 ZINC001189527577 810575129 /nfs/dbraw/zinc/57/51/29/810575129.db2.gz PDMTYBFYBKZXLR-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)CC(C)(C)C2CC2)C1 ZINC001189985319 810600649 /nfs/dbraw/zinc/60/06/49/810600649.db2.gz ZEFKNMBJUQUNCY-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)c2sccc2Cl)C1 ZINC001190291574 810617948 /nfs/dbraw/zinc/61/79/48/810617948.db2.gz RYOUTLDMULMBKR-NSHDSACASA-N 1 1 298.839 3.124 20 30 CGEDMO N#CC1(C[C@H](O)C[N@@H+](CC2CCCCC2)C2CC2)CCC1 ZINC001190426211 810627308 /nfs/dbraw/zinc/62/73/08/810627308.db2.gz CZTWKDCZQWABSS-KRWDZBQOSA-N 1 1 290.451 3.476 20 30 CGEDMO C#CC[N@H+](C[C@H](O)CCC(C)C)[C@H]1CCc2ccccc21 ZINC001190527903 810633189 /nfs/dbraw/zinc/63/31/89/810633189.db2.gz ITPVJPWQPWCZNU-MJGOQNOKSA-N 1 1 285.431 3.406 20 30 CGEDMO C#CC[N@H+](C[C@@H](O)CCC(C)C)[C@H]1CCc2ccccc21 ZINC001190527900 810633297 /nfs/dbraw/zinc/63/32/97/810633297.db2.gz ITPVJPWQPWCZNU-HKUYNNGSSA-N 1 1 285.431 3.406 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)C(C)(C)C)C1 ZINC001190932855 810657323 /nfs/dbraw/zinc/65/73/23/810657323.db2.gz DRVSSNVIHKERLO-LSDHHAIUSA-N 1 1 280.456 3.168 20 30 CGEDMO CCCCCCCCNC(=O)N[C@@H]1CC[N@H+](C(C)C)C1 ZINC001191074372 810671333 /nfs/dbraw/zinc/67/13/33/810671333.db2.gz WGPZDMDRVWOCCF-OAHLLOKOSA-N 1 1 283.460 3.129 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(CC)s2)C1 ZINC001191197562 810688184 /nfs/dbraw/zinc/68/81/84/810688184.db2.gz LGPQLRJAKUAQNL-CYBMUJFWSA-N 1 1 292.448 3.033 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]([N@H+](C)CC/C=C/CC)C1 ZINC001191718408 810731617 /nfs/dbraw/zinc/73/16/17/810731617.db2.gz GHZUCARQMYMKKN-HVHJFMEUSA-N 1 1 278.440 3.088 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@@H+](CC2CC2)C(C)C)cc1 ZINC001191721777 810732531 /nfs/dbraw/zinc/73/25/31/810732531.db2.gz GMLCQZBXSHEJSS-UHFFFAOYSA-N 1 1 284.403 3.117 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CC=CCC2)C1 ZINC001191727441 810732906 /nfs/dbraw/zinc/73/29/06/810732906.db2.gz LZOWLBLFIGGZGG-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C/C=C(\C)C=C)C1 ZINC001191827165 810747157 /nfs/dbraw/zinc/74/71/57/810747157.db2.gz AGTWTBPLNJDDOM-HTRKUNOGSA-N 1 1 276.424 3.008 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C/C=C(\C)C=C)C1 ZINC001191830078 810748582 /nfs/dbraw/zinc/74/85/82/810748582.db2.gz UDSPCQDURUFONJ-DAPLNWGVSA-N 1 1 290.451 3.396 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](C=C)CC)C1 ZINC001191890881 810754885 /nfs/dbraw/zinc/75/48/85/810754885.db2.gz VQGKZAXDHYBPLF-HZPDHXFCSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC001192074081 810768130 /nfs/dbraw/zinc/76/81/30/810768130.db2.gz YZEWBGODSBAWDE-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C1CCC(C(=O)N2CC[C@@H]([N@H+](C)CC[C@H](C)F)C2)CC1 ZINC001192180912 810774502 /nfs/dbraw/zinc/77/45/02/810774502.db2.gz OKNLJAJESQKLHW-GOEBONIOSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)C2(CCCC)CC2)C1 ZINC001192198685 810775557 /nfs/dbraw/zinc/77/55/57/810775557.db2.gz VJRGRLKQFREUBJ-CQSZACIVSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)C2(CCCC)CC2)C1 ZINC001192198685 810775561 /nfs/dbraw/zinc/77/55/61/810775561.db2.gz VJRGRLKQFREUBJ-CQSZACIVSA-N 1 1 298.858 3.242 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@@H]([N@@H+](C)C/C=C/Cl)C2)CCC1 ZINC001192226614 810778713 /nfs/dbraw/zinc/77/87/13/810778713.db2.gz KRYZBDWDTYSWSF-AZWQULSGSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001192239219 810780476 /nfs/dbraw/zinc/78/04/76/810780476.db2.gz SXVMGRPTLUXMGD-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)CC(C)(C)C)C1 ZINC001192688744 810816911 /nfs/dbraw/zinc/81/69/11/810816911.db2.gz ZBLPXMCVRDLUKV-LSDHHAIUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)CCCCCC)C1 ZINC001192977092 810837755 /nfs/dbraw/zinc/83/77/55/810837755.db2.gz HNYJYAXCLHLCSN-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO CCC#C[C@@H](C)[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC001193198188 810863243 /nfs/dbraw/zinc/86/32/43/810863243.db2.gz GWILHBKVDXRIDO-SJLPKXTDSA-N 1 1 271.404 3.122 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC001193198188 810863250 /nfs/dbraw/zinc/86/32/50/810863250.db2.gz GWILHBKVDXRIDO-SJLPKXTDSA-N 1 1 271.404 3.122 20 30 CGEDMO C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CCCCC)C(C)C)C1 ZINC001193350304 810876177 /nfs/dbraw/zinc/87/61/77/810876177.db2.gz OPOUYIQUCZDERV-IAGOWNOFSA-N 1 1 292.467 3.005 20 30 CGEDMO C#CC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)CCCCCC)C1 ZINC001193416395 810885700 /nfs/dbraw/zinc/88/57/00/810885700.db2.gz CIXOKBQAHRIUGE-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)[C@H](C)c1ccc(F)c(F)c1 ZINC001193913213 810979370 /nfs/dbraw/zinc/97/93/70/810979370.db2.gz GQQBTGJJUJRYRB-CYBMUJFWSA-N 1 1 282.378 3.466 20 30 CGEDMO C=CCN(C)CC[N@@H+](CC)[C@H](C)c1ccc(F)c(F)c1 ZINC001193913213 810979374 /nfs/dbraw/zinc/97/93/74/810979374.db2.gz GQQBTGJJUJRYRB-CYBMUJFWSA-N 1 1 282.378 3.466 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)[C@H](C)c1ccc(F)c(F)c1 ZINC001193913213 810979378 /nfs/dbraw/zinc/97/93/78/810979378.db2.gz GQQBTGJJUJRYRB-CYBMUJFWSA-N 1 1 282.378 3.466 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)C[C@H]1CCCC12CCOCC2 ZINC001193920073 810979863 /nfs/dbraw/zinc/97/98/63/810979863.db2.gz JCWFOVMCBOPOIX-QGZVFWFLSA-N 1 1 294.483 3.023 20 30 CGEDMO CCCCCCCOC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001194003286 810998647 /nfs/dbraw/zinc/99/86/47/810998647.db2.gz PWQNKTSCAFEBOW-OAHLLOKOSA-N 1 1 282.428 3.264 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)C[C@H](C)CC(C)(C)C)n1 ZINC001194010722 810999723 /nfs/dbraw/zinc/99/97/23/810999723.db2.gz YRJAPDCVIWUXPD-OAHLLOKOSA-N 1 1 275.440 3.411 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC001194020993 811003702 /nfs/dbraw/zinc/00/37/02/811003702.db2.gz UJVZBWJFJMEHSN-KGLIPLIRSA-N 1 1 262.372 3.301 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@H+](C)C(C)(C)CC)cc1 ZINC001194042284 811006617 /nfs/dbraw/zinc/00/66/17/811006617.db2.gz QXKXFQAPCVNMPQ-UHFFFAOYSA-N 1 1 272.392 3.117 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](CCC)CC(C)C)C1 ZINC001194360141 811058311 /nfs/dbraw/zinc/05/83/11/811058311.db2.gz WZLUSXHOSVQGAJ-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)c2ccccc2C)CC1 ZINC001194681702 811106570 /nfs/dbraw/zinc/10/65/70/811106570.db2.gz FUORXPOPYWWSMF-UHFFFAOYSA-N 1 1 286.419 3.109 20 30 CGEDMO CCCC[N@@H+](CC#CCOC)[C@@H]1CCC[C@H](C)C1 ZINC001194715337 811114078 /nfs/dbraw/zinc/11/40/78/811114078.db2.gz MMFQVJNHFQCEKT-JKSUJKDBSA-N 1 1 251.414 3.317 20 30 CGEDMO CCCC[N@@H+](CC#CCOC)[C@@H]1CCC[C@@H](C)C1 ZINC001194715336 811114689 /nfs/dbraw/zinc/11/46/89/811114689.db2.gz MMFQVJNHFQCEKT-HZPDHXFCSA-N 1 1 251.414 3.317 20 30 CGEDMO CCCCCCCCOC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC001194740815 811121503 /nfs/dbraw/zinc/12/15/03/811121503.db2.gz QPHKGKMDIGEUES-HNNXBMFYSA-N 1 1 282.428 3.264 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)CC2CCC2)CC1 ZINC001195418401 811252721 /nfs/dbraw/zinc/25/27/21/811252721.db2.gz DMFPVTTWZURIQX-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCN(C(=O)[C@H]2CC2(C)C)CC1 ZINC001195496035 811261404 /nfs/dbraw/zinc/26/14/04/811261404.db2.gz BMLRMPFYNGOPAY-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)C=C(CC)CC)CC1 ZINC001195505596 811265397 /nfs/dbraw/zinc/26/53/97/811265397.db2.gz DZRKWGMMZWWFST-UHFFFAOYSA-N 1 1 278.440 3.233 20 30 CGEDMO CCCCCC[N@H+]1CCCN(C(=O)C#CC(C)(C)C)CC1 ZINC001195780911 811291793 /nfs/dbraw/zinc/29/17/93/811291793.db2.gz NNIWLSSIDNGICN-UHFFFAOYSA-N 1 1 292.467 3.151 20 30 CGEDMO C=CCOCC[N@@H+]1CCc2ccc(C(C)C)cc2C1 ZINC001195920346 811302820 /nfs/dbraw/zinc/30/28/20/811302820.db2.gz YDBWJWWAYBLJTP-UHFFFAOYSA-N 1 1 259.393 3.371 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](C[C@@H]2COC3(CCCCC3)O2)C1 ZINC001195953605 811306083 /nfs/dbraw/zinc/30/60/83/811306083.db2.gz BBCFRFXSVIKUKG-JKSUJKDBSA-N 1 1 279.424 3.350 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)CCCC[C@H](C)CC)CC1 ZINC001195981572 811308553 /nfs/dbraw/zinc/30/85/53/811308553.db2.gz AKRIFPVJABJWFP-MRXNPFEDSA-N 1 1 280.456 3.313 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[N@H+](CC(CC)CC)CC1 ZINC001196018105 811311797 /nfs/dbraw/zinc/31/17/97/811311797.db2.gz JFIZWQHJLLQIQR-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H](C)C2CCC2)CC1 ZINC001196259655 811330225 /nfs/dbraw/zinc/33/02/25/811330225.db2.gz NHYUAYJNSXTKAR-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO CC#CC[N@H+]1CCCN(C(=O)C[C@@H](CC)CCCC)CC1 ZINC001196575341 811353617 /nfs/dbraw/zinc/35/36/17/811353617.db2.gz WZWQTGBDGXXLKL-KRWDZBQOSA-N 1 1 292.467 3.151 20 30 CGEDMO CC#CC[N@@H+]1CCCN(C(=O)C[C@@H](CC)CCCC)CC1 ZINC001196575341 811353625 /nfs/dbraw/zinc/35/36/25/811353625.db2.gz WZWQTGBDGXXLKL-KRWDZBQOSA-N 1 1 292.467 3.151 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)C[C@H]2CC[C@@H](C)C2)CC1 ZINC001196789931 811367942 /nfs/dbraw/zinc/36/79/42/811367942.db2.gz DPDHEBBFTYFNAW-SJORKVTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC001196855131 811376202 /nfs/dbraw/zinc/37/62/02/811376202.db2.gz YVVMERZECQLVAK-JKSUJKDBSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)C(CCC)CCC)CC1 ZINC001196952806 811385188 /nfs/dbraw/zinc/38/51/88/811385188.db2.gz DBUAFUSXHUOOLS-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCC1(C(=O)N2CCC[N@@H+](C/C=C/Cl)CC2)CCC1 ZINC001197077264 811396364 /nfs/dbraw/zinc/39/63/64/811396364.db2.gz RSORRCMRGSGSFK-RUDMXATFSA-N 1 1 296.842 3.020 20 30 CGEDMO C=CCC1(C(=O)N2CCC[N@H+](C/C=C/Cl)CC2)CCC1 ZINC001197077264 811396374 /nfs/dbraw/zinc/39/63/74/811396374.db2.gz RSORRCMRGSGSFK-RUDMXATFSA-N 1 1 296.842 3.020 20 30 CGEDMO CC#CC[N@H+]1CCCN(C(=O)[C@H](C)CCCCCC)CC1 ZINC001197511111 811426493 /nfs/dbraw/zinc/42/64/93/811426493.db2.gz HXKPLXPOURVJEG-QGZVFWFLSA-N 1 1 292.467 3.151 20 30 CGEDMO CC#CC[N@@H+]1CCCN(C(=O)[C@H](C)CCCCCC)CC1 ZINC001197511111 811426502 /nfs/dbraw/zinc/42/65/02/811426502.db2.gz HXKPLXPOURVJEG-QGZVFWFLSA-N 1 1 292.467 3.151 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)[C@@H](C)CCC(C)(C)C)CC1 ZINC001197832763 811456054 /nfs/dbraw/zinc/45/60/54/811456054.db2.gz NXQJGTZRCGJPSP-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C#CCOCC[N@@H+]1CCC[C@@]1(C)Cc1ccc(Cl)s1 ZINC001198300966 811491944 /nfs/dbraw/zinc/49/19/44/811491944.db2.gz RTNOVWWNIKKYHV-HNNXBMFYSA-N 1 1 297.851 3.448 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@@](CC)(C(=O)OC(C)(C)C)C1 ZINC001198309122 811492020 /nfs/dbraw/zinc/49/20/20/811492020.db2.gz IWDYAEXHVMTPIV-QGZVFWFLSA-N 1 1 297.439 3.023 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1CCCS(=O)(=O)C(C)(C)C ZINC001198414295 811498468 /nfs/dbraw/zinc/49/84/68/811498468.db2.gz LGDOYYXJWGZYDJ-AWEZNQCLSA-N 1 1 287.469 3.020 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC001198490832 811508811 /nfs/dbraw/zinc/50/88/11/811508811.db2.gz LEOMCWAHSHKNAE-ZFWWWQNUSA-N 1 1 290.794 3.096 20 30 CGEDMO C#C[C@@H]1CCCC[N@@H+]1C[C@H](O)Cc1ccc2ccccc2c1 ZINC001198526847 811513515 /nfs/dbraw/zinc/51/35/15/811513515.db2.gz VOBIMSSWKFEQHJ-WOJBJXKFSA-N 1 1 293.410 3.231 20 30 CGEDMO Clc1cccc(C#CC[N@H+]2CCCC[C@@]23CCOC3)c1 ZINC001198769047 811541514 /nfs/dbraw/zinc/54/15/14/811541514.db2.gz IVVDMKJMNMLEQW-KRWDZBQOSA-N 1 1 289.806 3.337 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cc(Br)co1 ZINC001232856921 818456215 /nfs/dbraw/zinc/45/62/15/818456215.db2.gz IRCCJUQJICWUBD-UHFFFAOYSA-N 1 1 256.143 3.216 20 30 CGEDMO CCCCCCCCCNC(=S)N(CC)C1C[NH+](C)C1 ZINC001200377349 811683505 /nfs/dbraw/zinc/68/35/05/811683505.db2.gz ULVKHIJVIVOZCE-UHFFFAOYSA-N 1 1 299.528 3.247 20 30 CGEDMO CC(C)(C)C[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001201443059 811848977 /nfs/dbraw/zinc/84/89/77/811848977.db2.gz OQRXSIUAPZCXSC-HNNXBMFYSA-N 1 1 272.392 3.448 20 30 CGEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+](C[C@@H](C)CC)C2 ZINC001201501697 811870919 /nfs/dbraw/zinc/87/09/19/811870919.db2.gz LJGJPIURKLXFOE-DOTOQJQBSA-N 1 1 278.440 3.066 20 30 CGEDMO CC(C)CC[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001201630400 811924801 /nfs/dbraw/zinc/92/48/01/811924801.db2.gz SGRSECCCSFZVBW-KRWDZBQOSA-N 1 1 272.392 3.448 20 30 CGEDMO CCCCCCC[N@@H+]1Cc2cn(C)nc2[C@@H](COCC)C1 ZINC001201762403 811963184 /nfs/dbraw/zinc/96/31/84/811963184.db2.gz JMIMEKSOFILNIN-MRXNPFEDSA-N 1 1 293.455 3.326 20 30 CGEDMO CCCCCCC[N@H+]1CCn2cnc(COCC)c2C1 ZINC001201777491 811964321 /nfs/dbraw/zinc/96/43/21/811964321.db2.gz YDZUQUKUSFBTGE-UHFFFAOYSA-N 1 1 279.428 3.206 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H]2C[C@H](C(=O)NC3CC3)C[C@@H]2C1 ZINC001201776537 811964459 /nfs/dbraw/zinc/96/44/59/811964459.db2.gz FFDYAMZFQRVSTP-PHZGNYQRSA-N 1 1 292.467 3.193 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H](C(=O)OC)[C@@H]1C ZINC001201787760 811964588 /nfs/dbraw/zinc/96/45/88/811964588.db2.gz LBUHJBAASMSORR-KBPBESRZSA-N 1 1 255.402 3.230 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H](C)C[C@@H](C(=O)OC)C1 ZINC001201787755 811964870 /nfs/dbraw/zinc/96/48/70/811964870.db2.gz KRJQEILQXJOYRQ-ZIAGYGMSSA-N 1 1 255.402 3.088 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@@H](Oc2ncc(F)cn2)C1 ZINC001201840187 811968890 /nfs/dbraw/zinc/96/88/90/811968890.db2.gz OHOOHRWAPXLNQW-OAHLLOKOSA-N 1 1 295.402 3.429 20 30 CGEDMO CCCCCCCC[NH+]1CC2(C1)CC(F)(F)CO2 ZINC001201839651 811969472 /nfs/dbraw/zinc/96/94/72/811969472.db2.gz GNUFWFOKVDKBEY-UHFFFAOYSA-N 1 1 261.356 3.457 20 30 CGEDMO CCCCCCCCC[N@H+]1CCCC[C@H]1C(N)=O ZINC001201847548 811970713 /nfs/dbraw/zinc/97/07/13/811970713.db2.gz XGNOYGVWOCYGSF-AWEZNQCLSA-N 1 1 254.418 3.077 20 30 CGEDMO N#Cc1ccc(O[C@@H]2CCC[N@H+](CCC(F)(F)F)C2)cc1 ZINC001202356043 812072803 /nfs/dbraw/zinc/07/28/03/812072803.db2.gz JIWZDAZTNOAJRP-CQSZACIVSA-N 1 1 298.308 3.354 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)c1 ZINC001203757998 812456760 /nfs/dbraw/zinc/45/67/60/812456760.db2.gz YFFKMPZZCTUFIX-CHWSQXEVSA-N 1 1 286.272 3.138 20 30 CGEDMO CN(C)c1ccc(C[N@H+]2CCc3ccc(C#N)cc3C2)cc1 ZINC001203931351 812495129 /nfs/dbraw/zinc/49/51/29/812495129.db2.gz OIELLBAATISPKT-UHFFFAOYSA-N 1 1 291.398 3.183 20 30 CGEDMO CCc1ccc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)cc1 ZINC001204176821 812566866 /nfs/dbraw/zinc/56/68/66/812566866.db2.gz VTRGGAGPBPLJBP-HNNXBMFYSA-N 1 1 273.401 3.023 20 30 CGEDMO CCc1ccc(C[N@@H+]2CCC3SC(=O)C=C3C2)cc1 ZINC001204176821 812566869 /nfs/dbraw/zinc/56/68/69/812566869.db2.gz VTRGGAGPBPLJBP-HNNXBMFYSA-N 1 1 273.401 3.023 20 30 CGEDMO CCc1ccc(C[N@H+]2CCC3SC(=O)C=C3C2)cc1 ZINC001204176821 812566872 /nfs/dbraw/zinc/56/68/72/812566872.db2.gz VTRGGAGPBPLJBP-HNNXBMFYSA-N 1 1 273.401 3.023 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)cc1 ZINC001204298258 812604480 /nfs/dbraw/zinc/60/44/80/812604480.db2.gz YBEBCODDXBBJOV-FUHWJXTLSA-N 1 1 287.403 3.252 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001204370373 812622412 /nfs/dbraw/zinc/62/24/12/812622412.db2.gz ZMMYOJOOKPBJIX-GOSISDBHSA-N 1 1 277.371 3.160 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CC[C@H](C(=O)c2ccccc2)C1 ZINC001204372503 812622744 /nfs/dbraw/zinc/62/27/44/812622744.db2.gz FGDXZNQRIJONSX-SFHVURJKSA-N 1 1 290.366 3.263 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CC[C@H](C(=O)c2ccccc2)C1 ZINC001204372503 812622748 /nfs/dbraw/zinc/62/27/48/812622748.db2.gz FGDXZNQRIJONSX-SFHVURJKSA-N 1 1 290.366 3.263 20 30 CGEDMO C=CCO[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001205037860 812835983 /nfs/dbraw/zinc/83/59/83/812835983.db2.gz VFMFYAZHLJWKQK-GVDBMIGSSA-N 1 1 257.377 3.100 20 30 CGEDMO CCC[N@@H+](Cc1ccc(F)c(C#N)c1)C1CCOCC1 ZINC001205496913 812991356 /nfs/dbraw/zinc/99/13/56/812991356.db2.gz YTLYGZPBOIEPRZ-UHFFFAOYSA-N 1 1 276.355 3.088 20 30 CGEDMO N#CCCO[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001205622538 813030702 /nfs/dbraw/zinc/03/07/02/813030702.db2.gz VTZKZHCRLYNIHR-FVQHAEBGSA-N 1 1 270.376 3.112 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cc(C(C)C)ccc1O ZINC001205661172 813045983 /nfs/dbraw/zinc/04/59/83/813045983.db2.gz TZUYCQCUINYEPW-UHFFFAOYSA-N 1 1 263.381 3.150 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C)s2)C1 ZINC001205760387 813069016 /nfs/dbraw/zinc/06/90/16/813069016.db2.gz ZTMDMOSERITNBO-TZMCWYRMSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC(C)C)C1 ZINC001205808859 813087492 /nfs/dbraw/zinc/08/74/92/813087492.db2.gz LFQOVPULSDMDQC-HZPDHXFCSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(OC)cc2CC)C1 ZINC001206408461 813315819 /nfs/dbraw/zinc/31/58/19/813315819.db2.gz ANULVEAJVKTYAR-OAHLLOKOSA-N 1 1 271.404 3.493 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CCCC[C@@](C)(C[NH3+])C2)c1[O-] ZINC001206548124 813348646 /nfs/dbraw/zinc/34/86/46/813348646.db2.gz HBAQULIOQDJUEX-SFHVURJKSA-N 1 1 288.435 3.072 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2CCCC[C@@](C)(C[NH3+])C2)c1[O-] ZINC001206548124 813348654 /nfs/dbraw/zinc/34/86/54/813348654.db2.gz HBAQULIOQDJUEX-SFHVURJKSA-N 1 1 288.435 3.072 20 30 CGEDMO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)c(C)c2)[C@H](CC)CO1 ZINC001206569488 813357104 /nfs/dbraw/zinc/35/71/04/813357104.db2.gz WCTDPCMXORUNIH-IAGOWNOFSA-N 1 1 272.392 3.256 20 30 CGEDMO C#Cc1cc(Nc2c[nH+]c(N(C)C)cc2C)ccc1F ZINC001206742091 813415497 /nfs/dbraw/zinc/41/54/97/813415497.db2.gz DWPQHSZWZXKQEG-UHFFFAOYSA-N 1 1 269.323 3.320 20 30 CGEDMO COc1ccc(Nc2c[nH+]c(N(C)C)cc2C)cc1C#N ZINC001206744069 813417283 /nfs/dbraw/zinc/41/72/83/813417283.db2.gz QDUURIUELIWIPY-UHFFFAOYSA-N 1 1 282.347 3.080 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC(C)(C)CC)C1 ZINC001207125941 813491684 /nfs/dbraw/zinc/49/16/84/813491684.db2.gz FXYGYMBUBHLDSI-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1C ZINC001207190740 813511389 /nfs/dbraw/zinc/51/13/89/813511389.db2.gz UYHCQKDRKGHBQJ-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)CC(C)C)C[C@H]1C ZINC001207215572 813516998 /nfs/dbraw/zinc/51/69/98/813516998.db2.gz LGCUNAHDUPMILT-GVDBMIGSSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](CC/C=C/CC)C[C@H]1C ZINC001207216413 813517089 /nfs/dbraw/zinc/51/70/89/813517089.db2.gz ZYEOEHWKKJEUBC-YCZSJOHXSA-N 1 1 278.440 3.136 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](CC2CCC(F)(F)CC2)CC1 ZINC001207348663 813546943 /nfs/dbraw/zinc/54/69/43/813546943.db2.gz XGBDVULMLCIIGL-GFCCVEGCSA-N 1 1 256.340 3.438 20 30 CGEDMO COc1cccc(CC[N@H+]2CCc3ccc(C#N)cc3C2)c1 ZINC001207430327 813563761 /nfs/dbraw/zinc/56/37/61/813563761.db2.gz XQNSEOLSWHFXLQ-UHFFFAOYSA-N 1 1 292.382 3.168 20 30 CGEDMO CCCC[N@H+](CCC#N)CCc1ccccc1OC ZINC001207456796 813567731 /nfs/dbraw/zinc/56/77/31/813567731.db2.gz WQHZUMDWKKKQAE-UHFFFAOYSA-N 1 1 260.381 3.253 20 30 CGEDMO CCCC[N@@H+](CCC#N)CCc1ccccc1OC ZINC001207456796 813567736 /nfs/dbraw/zinc/56/77/36/813567736.db2.gz WQHZUMDWKKKQAE-UHFFFAOYSA-N 1 1 260.381 3.253 20 30 CGEDMO C=CCCCCCCCCC[N@@H+]1CCn2ncnc2C1 ZINC001207896026 813667725 /nfs/dbraw/zinc/66/77/25/813667725.db2.gz IIZGHKUBKSABPQ-UHFFFAOYSA-N 1 1 276.428 3.401 20 30 CGEDMO C=CCCCCCCCCC[N@H+]1CCn2ncnc2C1 ZINC001207896026 813667728 /nfs/dbraw/zinc/66/77/28/813667728.db2.gz IIZGHKUBKSABPQ-UHFFFAOYSA-N 1 1 276.428 3.401 20 30 CGEDMO CCCCCCC/C=C/C[N@@H+]1C[C@H](F)C[C@H]1CO ZINC001208120669 813698136 /nfs/dbraw/zinc/69/81/36/813698136.db2.gz SUQDFPLRQPOSQA-PQAPVRDISA-N 1 1 257.393 3.308 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1C[C@H](F)C[C@H]1CO ZINC001208120669 813698142 /nfs/dbraw/zinc/69/81/42/813698142.db2.gz SUQDFPLRQPOSQA-PQAPVRDISA-N 1 1 257.393 3.308 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CC[C@H](OCC(=O)OC)C1 ZINC001208123196 813698565 /nfs/dbraw/zinc/69/85/65/813698565.db2.gz GKTQFVSJSZWISP-SCOAYWHSSA-N 1 1 297.439 3.167 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@H](C(=O)OCC)C2)CC1 ZINC001208177479 813729239 /nfs/dbraw/zinc/72/92/39/813729239.db2.gz TXCXHLAUEGEQKD-CVEARBPZSA-N 1 1 277.408 3.174 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCOC[C@H]2C2CC2)CC1 ZINC001208178578 813729679 /nfs/dbraw/zinc/72/96/79/813729679.db2.gz RUZADXRDNSQVIQ-WBVHZDCISA-N 1 1 261.409 3.400 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2[C@@H](C(=O)OC)[C@@H]3CC[C@H]2C3)CC1 ZINC001208179403 813731033 /nfs/dbraw/zinc/73/10/33/813731033.db2.gz XSYSFBHSAYDKMA-WCXIOVBPSA-N 1 1 289.419 3.315 20 30 CGEDMO COC(C)(C)CCC[C@@H](C)CC[N@@H+](C)CCC#N ZINC001208202715 813744437 /nfs/dbraw/zinc/74/44/37/813744437.db2.gz MXTNUQHDLQMDKA-CQSZACIVSA-N 1 1 254.418 3.453 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC/C=C/CC)C[C@H]1C ZINC001208388657 813758699 /nfs/dbraw/zinc/75/86/99/813758699.db2.gz NWUGSBJUBDXVJM-VOKIUTFUSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCCCC[N@H+](C)C[C@@H](CC)CCC(=O)OC ZINC001208785505 813847997 /nfs/dbraw/zinc/84/79/97/813847997.db2.gz GMGPJRRNOANQNZ-AWEZNQCLSA-N 1 1 255.402 3.254 20 30 CGEDMO C=CC[N@H+](C[C@@H](CC)CCC(=O)OC)C(C)(C)C ZINC001208793728 813849441 /nfs/dbraw/zinc/84/94/41/813849441.db2.gz XAGUSUOQBYHVRH-ZDUSSCGKSA-N 1 1 255.402 3.252 20 30 CGEDMO N#C[C@H]1CC[N@@H+](CCCc2ccccc2C(F)(F)F)C1 ZINC001208830940 813857176 /nfs/dbraw/zinc/85/71/76/813857176.db2.gz IEASKEINZPTEHC-GFCCVEGCSA-N 1 1 282.309 3.483 20 30 CGEDMO N#C[C@H]1CC[N@H+](CCCc2ccccc2C(F)(F)F)C1 ZINC001208830940 813857183 /nfs/dbraw/zinc/85/71/83/813857183.db2.gz IEASKEINZPTEHC-GFCCVEGCSA-N 1 1 282.309 3.483 20 30 CGEDMO C[C@]1(CF)CC[N@@H+](CCCc2cccc(C#N)c2)C1 ZINC001208845155 813865180 /nfs/dbraw/zinc/86/51/80/813865180.db2.gz OMNSFBKSWMJXBH-MRXNPFEDSA-N 1 1 260.356 3.172 20 30 CGEDMO C[N@@H+]1CC=C(Nc2ccc(C(F)(F)F)cc2C#N)CC1 ZINC001208855435 813866204 /nfs/dbraw/zinc/86/62/04/813866204.db2.gz AJEJLRAHAYBULK-UHFFFAOYSA-N 1 1 281.281 3.208 20 30 CGEDMO C[C@@H]1CC[N@@H+](CCCc2ccc(C#N)cc2)C[C@H]1F ZINC001208857211 813870033 /nfs/dbraw/zinc/87/00/33/813870033.db2.gz XTWLAYSYQOMVTI-CZUORRHYSA-N 1 1 260.356 3.171 20 30 CGEDMO N#Cc1ccc(CCC[N@@H+]2CCC[C@@H](F)CC2)cc1 ZINC001208860477 813871914 /nfs/dbraw/zinc/87/19/14/813871914.db2.gz MLEARYRZTSMBEA-MRXNPFEDSA-N 1 1 260.356 3.315 20 30 CGEDMO C=CCN(C)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208940519 813907040 /nfs/dbraw/zinc/90/70/40/813907040.db2.gz SVNMYJPPGDLADU-KRWDZBQOSA-N 1 1 258.409 3.016 20 30 CGEDMO C=CCN(C)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208940519 813907051 /nfs/dbraw/zinc/90/70/51/813907051.db2.gz SVNMYJPPGDLADU-KRWDZBQOSA-N 1 1 258.409 3.016 20 30 CGEDMO C=CC[N@@H+](C)C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001208940519 813907055 /nfs/dbraw/zinc/90/70/55/813907055.db2.gz SVNMYJPPGDLADU-KRWDZBQOSA-N 1 1 258.409 3.016 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001208940519 813907061 /nfs/dbraw/zinc/90/70/61/813907061.db2.gz SVNMYJPPGDLADU-KRWDZBQOSA-N 1 1 258.409 3.016 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CC2CCCCC2)C1 ZINC001209107440 813934016 /nfs/dbraw/zinc/93/40/16/813934016.db2.gz SGMACCFOUMGUKE-ZMSDIMECSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001209158979 813951695 /nfs/dbraw/zinc/95/16/95/813951695.db2.gz XVPJOSHYMJRSIT-OKILXGFUSA-N 1 1 280.412 3.036 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001209158576 813952373 /nfs/dbraw/zinc/95/23/73/813952373.db2.gz QMSTXXFXCREBGL-AWEZNQCLSA-N 1 1 282.428 3.284 20 30 CGEDMO C=CCCC[N@H+]1CCO[C@](C)(c2ccc(F)cc2)C1 ZINC001209161735 813953424 /nfs/dbraw/zinc/95/34/24/813953424.db2.gz CQAFNVXDYURTIX-INIZCTEOSA-N 1 1 263.356 3.339 20 30 CGEDMO C=CCCC[N@H+]1CCc2nn(-c3ccccc3)cc2C1 ZINC001209162611 813953581 /nfs/dbraw/zinc/95/35/81/813953581.db2.gz JVXVROKMBSFZFL-UHFFFAOYSA-N 1 1 267.376 3.197 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CC[C@H]1CN2C(=O)OC(C)(C)C ZINC001209163381 813953684 /nfs/dbraw/zinc/95/36/84/813953684.db2.gz DGDIOJDWFOPEIM-KBPBESRZSA-N 1 1 280.412 3.036 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](Oc2ncccc2C)C1 ZINC001209164411 813955301 /nfs/dbraw/zinc/95/53/01/813955301.db2.gz YAQFSXAVZPQBJV-OAHLLOKOSA-N 1 1 260.381 3.199 20 30 CGEDMO C=CCCCC[N@H+]1CC[C@H]2OCCC[C@]2(COCC=C)C1 ZINC001209200083 813964966 /nfs/dbraw/zinc/96/49/66/813964966.db2.gz GEZLJZMSTJIZKQ-QZTJIDSGSA-N 1 1 293.451 3.416 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@@H](C)C[C@@H]1C(=O)OCC ZINC001209204686 813966427 /nfs/dbraw/zinc/96/64/27/813966427.db2.gz IBGWXGZXLDENDD-ZIAGYGMSSA-N 1 1 253.386 3.006 20 30 CGEDMO C#CCCC[N@H+](C)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC001209267229 813989006 /nfs/dbraw/zinc/98/90/06/813989006.db2.gz DVLARFHTZVDEAM-CABCVRRESA-N 1 1 294.439 3.168 20 30 CGEDMO C#CCCC[N@H+](C)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001209267992 813990277 /nfs/dbraw/zinc/99/02/77/813990277.db2.gz OVEOXMJKPIHKEL-SHTZXODSSA-N 1 1 294.439 3.168 20 30 CGEDMO COC(C)(C)CC[N@H+](CCC#N)Cc1ccccc1 ZINC001209403325 814016497 /nfs/dbraw/zinc/01/64/97/814016497.db2.gz FMJHZQFBJJPPRU-UHFFFAOYSA-N 1 1 260.381 3.217 20 30 CGEDMO COC(C)(C)CC[N@@H+](CCC#N)Cc1ccccc1 ZINC001209403325 814016500 /nfs/dbraw/zinc/01/65/00/814016500.db2.gz FMJHZQFBJJPPRU-UHFFFAOYSA-N 1 1 260.381 3.217 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](CC(=O)OCC)C1 ZINC001209423102 814026012 /nfs/dbraw/zinc/02/60/12/814026012.db2.gz FYFNESYANYFGSO-HNNXBMFYSA-N 1 1 267.413 3.398 20 30 CGEDMO C=CCCCCC[N@@H+]1CCc2cnc(OC)cc2C1 ZINC001209432135 814033879 /nfs/dbraw/zinc/03/38/79/814033879.db2.gz ZLKBIZXENQUWJW-UHFFFAOYSA-N 1 1 260.381 3.195 20 30 CGEDMO C=CCCCCCC[NH+]1CCN(CC(F)(F)F)CC1 ZINC001209435961 814037251 /nfs/dbraw/zinc/03/72/51/814037251.db2.gz LKEJEXXLTAJLIL-UHFFFAOYSA-N 1 1 278.362 3.303 20 30 CGEDMO C=CCCCCCCC[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC001209441857 814042181 /nfs/dbraw/zinc/04/21/81/814042181.db2.gz LRVGUPDBKXKALB-HOTGVXAUSA-N 1 1 251.414 3.481 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC001209444410 814045980 /nfs/dbraw/zinc/04/59/80/814045980.db2.gz QBDWGDPPZKNEDR-OAHLLOKOSA-N 1 1 287.469 3.022 20 30 CGEDMO C=CCCCCCCCC[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC001209445202 814046277 /nfs/dbraw/zinc/04/62/77/814046277.db2.gz HCAKXAAPVATCTC-MRXNPFEDSA-N 1 1 278.440 3.210 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC(C)(C)C)C1 ZINC001209656167 814107821 /nfs/dbraw/zinc/10/78/21/814107821.db2.gz BGDUEXARSUQFJB-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1cn(C)c2ncccc12 ZINC001209748329 814129193 /nfs/dbraw/zinc/12/91/93/814129193.db2.gz FAWPYMZXNOTAHH-UHFFFAOYSA-N 1 1 270.380 3.089 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1cn(C)c2ncccc12 ZINC001209748329 814129199 /nfs/dbraw/zinc/12/91/99/814129199.db2.gz FAWPYMZXNOTAHH-UHFFFAOYSA-N 1 1 270.380 3.089 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1ccccc1N(C)C ZINC001209778289 814137709 /nfs/dbraw/zinc/13/77/09/814137709.db2.gz ZOKSEWIFYVPRDL-UHFFFAOYSA-N 1 1 259.397 3.268 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1ccccc1N(C)C ZINC001209778289 814137713 /nfs/dbraw/zinc/13/77/13/814137713.db2.gz ZOKSEWIFYVPRDL-UHFFFAOYSA-N 1 1 259.397 3.268 20 30 CGEDMO COc1cccc(Nc2c(C)cc[nH+]c2C)c1C#N ZINC001210120530 814298143 /nfs/dbraw/zinc/29/81/43/814298143.db2.gz KOBSIOQCBICTHJ-UHFFFAOYSA-N 1 1 253.305 3.322 20 30 CGEDMO CCCCCCCC[C@H](C)OCC[NH+]1CCOCC1 ZINC001210225027 814352310 /nfs/dbraw/zinc/35/23/10/814352310.db2.gz NDVGIAXFKBYDNJ-INIZCTEOSA-N 1 1 271.445 3.474 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](CC)C(C)C)C1 ZINC001210420368 814450884 /nfs/dbraw/zinc/45/08/84/814450884.db2.gz CVYKKORMNOYMLM-BRWVUGGUSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCCCCCCCC[N@H+]1CCNC[C@H]1COC ZINC001210519167 814504757 /nfs/dbraw/zinc/50/47/57/814504757.db2.gz MUCDVTGOGANQII-KRWDZBQOSA-N 1 1 282.472 3.213 20 30 CGEDMO C=CCCCCCCCCC[N@@H+]1CCNC[C@H]1COC ZINC001210519167 814504758 /nfs/dbraw/zinc/50/47/58/814504758.db2.gz MUCDVTGOGANQII-KRWDZBQOSA-N 1 1 282.472 3.213 20 30 CGEDMO N#Cc1ncc(F)cc1N=C1CCC([NH+]2CCCC2)CC1 ZINC001210708063 814591161 /nfs/dbraw/zinc/59/11/61/814591161.db2.gz HVGRJUWDNXTNET-CQSZACIVSA-N 1 1 286.354 3.036 20 30 CGEDMO CC#Cc1cncc(Nc2cc[nH+]cc2C(F)(F)F)c1 ZINC001211053959 814724040 /nfs/dbraw/zinc/72/40/40/814724040.db2.gz IRCJCNPXKMVPSD-UHFFFAOYSA-N 1 1 277.249 3.032 20 30 CGEDMO Cc1c(C#N)cccc1Nc1[nH+]c2ccccc2n1C ZINC001216174079 815720055 /nfs/dbraw/zinc/72/00/55/815720055.db2.gz VPVAZRUIXJVKOB-UHFFFAOYSA-N 1 1 262.316 3.497 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nnc(CCC2CCCCC2)o1 ZINC001217757990 815955118 /nfs/dbraw/zinc/95/51/18/815955118.db2.gz VGHLIZNDMWLMLG-AWEZNQCLSA-N 1 1 275.396 3.386 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nnc(-c2ccc(Cl)cc2)o1 ZINC001217757730 815955502 /nfs/dbraw/zinc/95/55/02/815955502.db2.gz RUEWIVIZUHLWDL-LBPRGKRZSA-N 1 1 275.739 3.193 20 30 CGEDMO CCCCCCC[C@@H](C)OCCCC[C@H]([NH3+])C(=O)OC ZINC001217840564 815974669 /nfs/dbraw/zinc/97/46/69/815974669.db2.gz FYJDMHRPIRABGS-CABCVRRESA-N 1 1 287.444 3.423 20 30 CGEDMO CCCCCCCC[C@H](C)OCC[C@H]([NH3+])C(=O)OC ZINC001217889424 815990391 /nfs/dbraw/zinc/99/03/91/815990391.db2.gz CGSXGEJQKCEFBU-KBPBESRZSA-N 1 1 273.417 3.033 20 30 CGEDMO C#C[C@@H](Oc1ccc(C(=O)C[NH3+])cc1)[C@H](CC)CCCC ZINC001218292205 816154501 /nfs/dbraw/zinc/15/45/01/816154501.db2.gz PAGSCFVWGXNNDH-RDTXWAMCSA-N 1 1 287.403 3.425 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)CCC)[C@@H]2C1 ZINC001221430989 816314764 /nfs/dbraw/zinc/31/47/64/816314764.db2.gz WFBNEHZLKBNTPD-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1C[C@H]2CC[N@@H+](CC=C(C)C)C[C@H]21 ZINC001221754296 816324696 /nfs/dbraw/zinc/32/46/96/816324696.db2.gz HUGGQUBTGAEDQA-BRWVUGGUSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CCCC3CC3)[C@@H]2C1 ZINC001221755962 816324818 /nfs/dbraw/zinc/32/48/18/816324818.db2.gz HTLQBUINBHCRBG-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)CC(C)C)[C@@H]2C1 ZINC001221928762 816335371 /nfs/dbraw/zinc/33/53/71/816335371.db2.gz DZACHPKRUAYJTE-GVDBMIGSSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCn1cc(-c2ccc([C@H]3CCCC[N@@H+]3C)cn2)cn1 ZINC001222382448 816424328 /nfs/dbraw/zinc/42/43/28/816424328.db2.gz JZKLXGOOEOVKON-QGZVFWFLSA-N 1 1 282.391 3.288 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC[C@H]2CC[N@@H+](CC(C)C)[C@H]2C1 ZINC001223338406 816608512 /nfs/dbraw/zinc/60/85/12/816608512.db2.gz PFIWULMYVHUIJN-BBWFWOEESA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)CC(=C)C)C[C@@H]21 ZINC001223344448 816610440 /nfs/dbraw/zinc/61/04/40/816610440.db2.gz KVDRQCKTHGKTHN-BBWFWOEESA-N 1 1 290.451 3.088 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)CC(C)(C)C)C[C@@H]21 ZINC001223629575 816660749 /nfs/dbraw/zinc/66/07/49/816660749.db2.gz YEYRAAIAAYMCCO-XHSDSOJGSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC001224334893 816781282 /nfs/dbraw/zinc/78/12/82/816781282.db2.gz HMGQFGMFUKKPLT-DOTOQJQBSA-N 1 1 259.393 3.490 20 30 CGEDMO C[NH+](C)Cc1ncccc1O[C@@H](CC#N)c1ccccc1 ZINC001225276909 816990499 /nfs/dbraw/zinc/99/04/99/816990499.db2.gz CESJDGBZBJJNLL-INIZCTEOSA-N 1 1 281.359 3.177 20 30 CGEDMO Cc1c(C#N)c(O[C@@H]2CC[N@H+](C(C)C)C2)nc2ccccc12 ZINC001226444050 817358145 /nfs/dbraw/zinc/35/81/45/817358145.db2.gz CGEQEMPZXZFZCZ-CQSZACIVSA-N 1 1 295.386 3.276 20 30 CGEDMO CC[N@H+]1CCC[C@@H](Oc2c(C)cc(C#N)cc2Cl)C1 ZINC001226595211 817407877 /nfs/dbraw/zinc/40/78/77/817407877.db2.gz JVLMYZVXDHYSDG-CYBMUJFWSA-N 1 1 278.783 3.383 20 30 CGEDMO C#C[C@H](C)Oc1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001226743196 817449802 /nfs/dbraw/zinc/44/98/02/817449802.db2.gz OYRLSMODJVCJOF-HNNXBMFYSA-N 1 1 292.382 3.040 20 30 CGEDMO C#C[C@H](C)Oc1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001226743196 817449805 /nfs/dbraw/zinc/44/98/05/817449805.db2.gz OYRLSMODJVCJOF-HNNXBMFYSA-N 1 1 292.382 3.040 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)C=C(CC)CC)CC1 ZINC001226875794 817492123 /nfs/dbraw/zinc/49/21/23/817492123.db2.gz KGUBTEGYXJMOQJ-UHFFFAOYSA-N 1 1 284.831 3.066 20 30 CGEDMO CC[C@H](C)c1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)cc1 ZINC001227328013 817625524 /nfs/dbraw/zinc/62/55/24/817625524.db2.gz HFAZTUNNYQZVEQ-OOWFEVOQSA-N 1 1 287.403 3.191 20 30 CGEDMO CC[C@H](C)c1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)cc1 ZINC001227328013 817625531 /nfs/dbraw/zinc/62/55/31/817625531.db2.gz HFAZTUNNYQZVEQ-OOWFEVOQSA-N 1 1 287.403 3.191 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@H](C)C(C)(C)C)CC1 ZINC001228005120 817781668 /nfs/dbraw/zinc/78/16/68/817781668.db2.gz ZNBYDTYDEDPUKU-LBPRGKRZSA-N 1 1 286.847 3.002 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H](C)C(C)(C)C)CC1 ZINC001228005118 817781853 /nfs/dbraw/zinc/78/18/53/817781853.db2.gz ZNBYDTYDEDPUKU-GFCCVEGCSA-N 1 1 286.847 3.002 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](Oc2cc(Cl)ccc2C#N)C1 ZINC001228084535 817806581 /nfs/dbraw/zinc/80/65/81/817806581.db2.gz NKHGTUXGVBFBQJ-ZDUSSCGKSA-N 1 1 264.756 3.073 20 30 CGEDMO CCCCCCC[N@@H+](C)CCCNC(=O)C(C)(C)F ZINC001231168225 818049176 /nfs/dbraw/zinc/04/91/76/818049176.db2.gz VQJMJYMTXJAKHK-UHFFFAOYSA-N 1 1 274.424 3.143 20 30 CGEDMO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC1CC2(CCC2)C1 ZINC001231169545 818050883 /nfs/dbraw/zinc/05/08/83/818050883.db2.gz IVHFWECOKZQVJR-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1CCC1CCCCC1 ZINC001231170555 818050929 /nfs/dbraw/zinc/05/09/29/818050929.db2.gz QUKLNUSEGNMESZ-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1C(C)(C)C1(C)C ZINC001231405056 818091970 /nfs/dbraw/zinc/09/19/70/818091970.db2.gz HEYVRSFIXANQNF-CQSZACIVSA-N 1 1 292.467 3.168 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Cl)c(O)c1 ZINC001231737172 818162835 /nfs/dbraw/zinc/16/28/35/818162835.db2.gz NLBWAWJJMFLWTL-XYYAHUGASA-N 1 1 276.767 3.312 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)c(O)c1 ZINC001231737172 818162839 /nfs/dbraw/zinc/16/28/39/818162839.db2.gz NLBWAWJJMFLWTL-XYYAHUGASA-N 1 1 276.767 3.312 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@H+]2C[C@H]3CC[C@@H]2C3)cc1 ZINC001231820872 818184322 /nfs/dbraw/zinc/18/43/22/818184322.db2.gz YWIUOLLILDRFJD-DOTOQJQBSA-N 1 1 269.392 3.021 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1nc(Br)ccc1F ZINC001231944543 818215473 /nfs/dbraw/zinc/21/54/73/818215473.db2.gz WFEKXGBGJHSQCM-UHFFFAOYSA-N 1 1 287.176 3.381 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1nc(Br)ccc1F ZINC001231944543 818215477 /nfs/dbraw/zinc/21/54/77/818215477.db2.gz WFEKXGBGJHSQCM-UHFFFAOYSA-N 1 1 287.176 3.381 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1cccc2c[nH]nc21 ZINC001231971690 818219342 /nfs/dbraw/zinc/21/93/42/818219342.db2.gz QQGKCDOIZXQDDD-UHFFFAOYSA-N 1 1 256.353 3.079 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1cccc2c[nH]nc21 ZINC001231971690 818219349 /nfs/dbraw/zinc/21/93/49/818219349.db2.gz QQGKCDOIZXQDDD-UHFFFAOYSA-N 1 1 256.353 3.079 20 30 CGEDMO N#CCC1CC[NH+](Cc2cccc(C(F)(F)F)n2)CC1 ZINC001232073035 818247373 /nfs/dbraw/zinc/24/73/73/818247373.db2.gz ZKQSOBHMQWAYCG-UHFFFAOYSA-N 1 1 283.297 3.226 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCc3cc(C#N)ccc3C2)c(C)n1 ZINC001232081947 818249485 /nfs/dbraw/zinc/24/94/85/818249485.db2.gz OQQBGHZESDWKEB-UHFFFAOYSA-N 1 1 277.371 3.128 20 30 CGEDMO Cc1ccc(C[N@H+]2CCc3cc(C#N)ccc3C2)c(C)n1 ZINC001232081947 818249489 /nfs/dbraw/zinc/24/94/89/818249489.db2.gz OQQBGHZESDWKEB-UHFFFAOYSA-N 1 1 277.371 3.128 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(NC(C)=O)cc1C ZINC001232187526 818273272 /nfs/dbraw/zinc/27/32/72/818273272.db2.gz LFBQJBHBCHZBMB-UHFFFAOYSA-N 1 1 260.381 3.351 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc2ccc3cccnc3c2n1 ZINC001232223958 818284981 /nfs/dbraw/zinc/28/49/81/818284981.db2.gz WRMQDSGXXBEWMV-UHFFFAOYSA-N 1 1 263.344 3.401 20 30 CGEDMO C#CC[N@@H+](C)Cc1cc(OC)ccc1OCc1ccccc1 ZINC001232382077 818329618 /nfs/dbraw/zinc/32/96/18/818329618.db2.gz ZBRWAEJYRGNPCH-UHFFFAOYSA-N 1 1 295.382 3.339 20 30 CGEDMO C#CC[N@H+](C)Cc1cc(OC)ccc1OCc1ccccc1 ZINC001232382077 818329621 /nfs/dbraw/zinc/32/96/21/818329621.db2.gz ZBRWAEJYRGNPCH-UHFFFAOYSA-N 1 1 295.382 3.339 20 30 CGEDMO N#Cc1ccnc(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC001232480916 818364591 /nfs/dbraw/zinc/36/45/91/818364591.db2.gz NSBHHWCKZAIRPU-KRWDZBQOSA-N 1 1 277.371 3.018 20 30 CGEDMO N#Cc1ccc([O-])c(C[N@H+]2CCCC3(CCC3)C2)c1 ZINC001232678228 818416413 /nfs/dbraw/zinc/41/64/13/818416413.db2.gz RBUWLDGMXMTTGZ-UHFFFAOYSA-N 1 1 256.349 3.030 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](Cc2ccccc2-n2cccc2)C1 ZINC001232912474 818474331 /nfs/dbraw/zinc/47/43/31/818474331.db2.gz NBJRORDGLZCZAN-KRWDZBQOSA-N 1 1 265.360 3.213 20 30 CGEDMO CC[N@@H+](CCc1ccc(OC)cc1)Cc1cccc(C#N)n1 ZINC001232926172 818475610 /nfs/dbraw/zinc/47/56/10/818475610.db2.gz FNKUHRNXWHNWAV-UHFFFAOYSA-N 1 1 295.386 3.026 20 30 CGEDMO COc1ncc(C[N@H+]2CCC[C@H](C#N)CC2)c2ccccc21 ZINC001232951305 818480600 /nfs/dbraw/zinc/48/06/00/818480600.db2.gz FBTJQPGDJCDNTA-AWEZNQCLSA-N 1 1 295.386 3.369 20 30 CGEDMO Cc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)c(C#N)c1 ZINC001232966270 818485653 /nfs/dbraw/zinc/48/56/53/818485653.db2.gz JIXIVTJJLKPYML-CYBMUJFWSA-N 1 1 268.282 3.251 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)c(C#N)c1 ZINC001232966270 818485655 /nfs/dbraw/zinc/48/56/55/818485655.db2.gz JIXIVTJJLKPYML-CYBMUJFWSA-N 1 1 268.282 3.251 20 30 CGEDMO N#Cc1cc[nH]c1C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC001233047209 818507605 /nfs/dbraw/zinc/50/76/05/818507605.db2.gz RJPLPHAINDIBDA-ZDUSSCGKSA-N 1 1 269.323 3.015 20 30 CGEDMO N#Cc1cc[nH]c1C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC001233047209 818507616 /nfs/dbraw/zinc/50/76/16/818507616.db2.gz RJPLPHAINDIBDA-ZDUSSCGKSA-N 1 1 269.323 3.015 20 30 CGEDMO COc1ccc(C2CC[NH+](Cc3[nH]ccc3C#N)CC2)cc1 ZINC001233044278 818508536 /nfs/dbraw/zinc/50/85/36/818508536.db2.gz MDBBLBRECLLLAB-UHFFFAOYSA-N 1 1 295.386 3.275 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+](C)C1CC(F)(F)C1 ZINC001233080371 818518735 /nfs/dbraw/zinc/51/87/35/818518735.db2.gz LPUORAFDABDZJR-UHFFFAOYSA-N 1 1 250.292 3.096 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1c[nH]c(Br)c1 ZINC001233437551 818618916 /nfs/dbraw/zinc/61/89/16/818618916.db2.gz DXMTUPMXXXHHCS-UHFFFAOYSA-N 1 1 257.175 3.175 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H](Oc2c(Cl)cccc2C#N)C1 ZINC001233549404 818639289 /nfs/dbraw/zinc/63/92/89/818639289.db2.gz FCXPMTOQFDGKRM-ZDUSSCGKSA-N 1 1 278.783 3.463 20 30 CGEDMO C[N@H+]1CCC[C@@H](Oc2ccc3cccc(C#N)c3c2)C1 ZINC001233567315 818644665 /nfs/dbraw/zinc/64/46/65/818644665.db2.gz CYLDWGZSMQUTPJ-MRXNPFEDSA-N 1 1 266.344 3.184 20 30 CGEDMO C=C[C@@H](C#CC(C)(C)C)Oc1ccc2[nH+]ccn2c1 ZINC001233754194 818697615 /nfs/dbraw/zinc/69/76/15/818697615.db2.gz GLENRNMJTGYEAC-ZDUSSCGKSA-N 1 1 254.333 3.317 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1c[nH]c(=O)c2ccccc12 ZINC001233998690 818750740 /nfs/dbraw/zinc/75/07/40/818750740.db2.gz ACIKVXFARIHXBO-UHFFFAOYSA-N 1 1 269.348 3.066 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1c[nH]c(=O)c2ccccc12 ZINC001233998690 818750746 /nfs/dbraw/zinc/75/07/46/818750746.db2.gz ACIKVXFARIHXBO-UHFFFAOYSA-N 1 1 269.348 3.066 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C1CC(C)(C)C1 ZINC001234028956 818760697 /nfs/dbraw/zinc/76/06/97/818760697.db2.gz COWDNMISAYHYJV-GOEBONIOSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)CC(C)(C)C1CC1 ZINC001234099252 818779542 /nfs/dbraw/zinc/77/95/42/818779542.db2.gz KHUWNJNBQROLOQ-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC(CC=C)C(=O)N(C)C[C@@H]1CC[N@H+]1CC=C(C)C ZINC001234510348 818870500 /nfs/dbraw/zinc/87/05/00/818870500.db2.gz XVMWDPHXWVPGEU-KRWDZBQOSA-N 1 1 290.451 3.254 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCCC(C)(C)C ZINC001234509720 818870586 /nfs/dbraw/zinc/87/05/86/818870586.db2.gz OYWTXXWRWDQHHO-MRXNPFEDSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@]1(C)CC=CCC1 ZINC001234525357 818873218 /nfs/dbraw/zinc/87/32/18/818873218.db2.gz BGPHUZOXXJPMSL-WMZOPIPTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@]1(C)CC=CCC1 ZINC001234529522 818875874 /nfs/dbraw/zinc/87/58/74/818875874.db2.gz ZPUHTLHYJAFKKQ-SJLPKXTDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC(C)(C)CC(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCCC1 ZINC001234537307 818876942 /nfs/dbraw/zinc/87/69/42/818876942.db2.gz MPCMLTLVOCPZJE-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1CCCCCF ZINC001234613856 818892046 /nfs/dbraw/zinc/89/20/46/818892046.db2.gz LYDRFEDNXCDLED-HNNXBMFYSA-N 1 1 284.419 3.015 20 30 CGEDMO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccsc1 ZINC001234627111 818896213 /nfs/dbraw/zinc/89/62/13/818896213.db2.gz YUQDINRFLADLRM-OAHLLOKOSA-N 1 1 292.448 3.137 20 30 CGEDMO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccsc1 ZINC001234627111 818896217 /nfs/dbraw/zinc/89/62/17/818896217.db2.gz YUQDINRFLADLRM-OAHLLOKOSA-N 1 1 292.448 3.137 20 30 CGEDMO C=CCCC(=O)NCCC[N@H+](C)[C@@H](C)c1ccccc1 ZINC001235463698 819105135 /nfs/dbraw/zinc/10/51/35/819105135.db2.gz AWKMTDFNTJRFIU-HNNXBMFYSA-N 1 1 274.408 3.152 20 30 CGEDMO C=CCCC(=O)NCCC[N@H+](C)[C@H](C)c1ccccc1F ZINC001235464136 819105398 /nfs/dbraw/zinc/10/53/98/819105398.db2.gz HQQQSRYNWYUSLT-CQSZACIVSA-N 1 1 292.398 3.291 20 30 CGEDMO N#CCc1ccccc1C[N@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001235517007 819114793 /nfs/dbraw/zinc/11/47/93/819114793.db2.gz VXKSLKGCEXRFPU-CABCVRRESA-N 1 1 276.330 3.230 20 30 CGEDMO C[N@@H+](Cc1ccc(Cl)nc1)Cc1ccccc1CC#N ZINC001235529519 819116351 /nfs/dbraw/zinc/11/63/51/819116351.db2.gz NKACGLQSEDUFJF-UHFFFAOYSA-N 1 1 285.778 3.433 20 30 CGEDMO CC(C)[C@@H]1CCC[N@H+]1Cc1c(F)cc(C#N)cc1F ZINC001235660703 819131600 /nfs/dbraw/zinc/13/16/00/819131600.db2.gz HUUJQHICXNTVPZ-HNNXBMFYSA-N 1 1 264.319 3.457 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@H]1C=CCCC1 ZINC001235757516 819162203 /nfs/dbraw/zinc/16/22/03/819162203.db2.gz HUTZMWCYGRZVKS-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO CCCCCCCCCCC[N@@H+]1CCN[C@@H](CCO)C1 ZINC001236086004 819307568 /nfs/dbraw/zinc/30/75/68/819307568.db2.gz LLXGJADLUDYBRB-KRWDZBQOSA-N 1 1 284.488 3.173 20 30 CGEDMO CCCCCCCCCCC[N@H+]1CCN[C@@H](CCO)C1 ZINC001236086004 819307578 /nfs/dbraw/zinc/30/75/78/819307578.db2.gz LLXGJADLUDYBRB-KRWDZBQOSA-N 1 1 284.488 3.173 20 30 CGEDMO C#CC[N@@H+](C)Cc1ccc2cccc(Br)c2n1 ZINC001237177835 819687746 /nfs/dbraw/zinc/68/77/46/819687746.db2.gz RTQSBJADVIEJDL-UHFFFAOYSA-N 1 1 289.176 3.062 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc2cccc(Br)c2n1 ZINC001237177835 819687747 /nfs/dbraw/zinc/68/77/47/819687747.db2.gz RTQSBJADVIEJDL-UHFFFAOYSA-N 1 1 289.176 3.062 20 30 CGEDMO COc1ccccc1[C@@H](C)[N@H+](C)Cc1ccnc(C#N)c1 ZINC001237465817 819757635 /nfs/dbraw/zinc/75/76/35/819757635.db2.gz LGOUAJDAULQPNI-CYBMUJFWSA-N 1 1 281.359 3.155 20 30 CGEDMO COc1ccccc1[C@@H](C)[N@@H+](C)Cc1ccnc(C#N)c1 ZINC001237465817 819757639 /nfs/dbraw/zinc/75/76/39/819757639.db2.gz LGOUAJDAULQPNI-CYBMUJFWSA-N 1 1 281.359 3.155 20 30 CGEDMO CCCO[C@H]1CC[N@@H+](Cc2cn(C)c3ccc(C#N)cc23)C1 ZINC001237470385 819758988 /nfs/dbraw/zinc/75/89/88/819758988.db2.gz IRSDKTNRPFHAFT-INIZCTEOSA-N 1 1 297.402 3.051 20 30 CGEDMO Cn1cc(C[N@@H+](C)C(C)(C)C)c2cc(C#N)ccc21 ZINC001237470920 819759564 /nfs/dbraw/zinc/75/95/64/819759564.db2.gz YSEDDEISRIDJAP-UHFFFAOYSA-N 1 1 255.365 3.280 20 30 CGEDMO C[C@@]1(CF)CC[N@H+](Cc2cc(C#N)c(F)cc2F)C1 ZINC001237523563 819771120 /nfs/dbraw/zinc/77/11/20/819771120.db2.gz AZYJAEJZXMRORP-AWEZNQCLSA-N 1 1 268.282 3.018 20 30 CGEDMO C[C@@]1(CF)CC[N@@H+](Cc2cc(C#N)c(F)cc2F)C1 ZINC001237523563 819771124 /nfs/dbraw/zinc/77/11/24/819771124.db2.gz AZYJAEJZXMRORP-AWEZNQCLSA-N 1 1 268.282 3.018 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c(F)cc1F ZINC001237535350 819774107 /nfs/dbraw/zinc/77/41/07/819774107.db2.gz XDUYGMMSQHPMLF-ZDUSSCGKSA-N 1 1 284.256 3.068 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@]3(CC3(F)F)C2)c(F)cc1F ZINC001237535350 819774111 /nfs/dbraw/zinc/77/41/11/819774111.db2.gz XDUYGMMSQHPMLF-ZDUSSCGKSA-N 1 1 284.256 3.068 20 30 CGEDMO CCC[N@@H+](Cc1cn2cc(C#N)ccc2n1)[C@@H](C)CC ZINC001237604984 819784800 /nfs/dbraw/zinc/78/48/00/819784800.db2.gz UGPMHGHHHGHXNS-ZDUSSCGKSA-N 1 1 270.380 3.216 20 30 CGEDMO C[C@@]1(CF)CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001237746838 819832706 /nfs/dbraw/zinc/83/27/06/819832706.db2.gz RCNVFRKLTPUQOJ-AWEZNQCLSA-N 1 1 266.747 3.393 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@@]3(C2)CCCCO3)c1 ZINC001237746609 819833587 /nfs/dbraw/zinc/83/35/87/819833587.db2.gz OVDXQUCEFHQKJL-MRXNPFEDSA-N 1 1 290.794 3.357 20 30 CGEDMO Cc1cnc(C[NH+]2CCC(C#Cc3ccccc3)CC2)nc1 ZINC001237811876 819848632 /nfs/dbraw/zinc/84/86/32/819848632.db2.gz XZQMQJQVJKRCQM-UHFFFAOYSA-N 1 1 291.398 3.049 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2ccccc2C2CCOCC2)C1 ZINC001237906253 819874864 /nfs/dbraw/zinc/87/48/64/819874864.db2.gz QKLOHQSUVBJADE-HNNXBMFYSA-N 1 1 284.403 3.316 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccccc2C2CCOCC2)C1 ZINC001237906253 819874873 /nfs/dbraw/zinc/87/48/73/819874873.db2.gz QKLOHQSUVBJADE-HNNXBMFYSA-N 1 1 284.403 3.316 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2Cl)[C@](C)(CO)C1 ZINC001238082861 819927940 /nfs/dbraw/zinc/92/79/40/819927940.db2.gz OIZFCEKAILMHJO-INIZCTEOSA-N 1 1 292.810 3.195 20 30 CGEDMO CCOC1CC[NH+](Cc2ccc(Cl)c(C#N)c2)CC1 ZINC001238194890 819952029 /nfs/dbraw/zinc/95/20/29/819952029.db2.gz VGRUHPZAYNFHLN-UHFFFAOYSA-N 1 1 278.783 3.213 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(C#N)c2)[C@H](C)C1 ZINC001238195768 819952479 /nfs/dbraw/zinc/95/24/79/819952479.db2.gz LGLPPMQXBVBFJT-BXUZGUMPSA-N 1 1 278.783 3.211 20 30 CGEDMO Cc1ccc(OC(C)C)cc1C[NH+]1CC(CC#N)C1 ZINC001238475602 820016709 /nfs/dbraw/zinc/01/67/09/820016709.db2.gz GTZZPIMWEUAQDJ-UHFFFAOYSA-N 1 1 258.365 3.128 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cnc(OCCCC)c(C)c2)C1 ZINC001238490067 820024881 /nfs/dbraw/zinc/02/48/81/820024881.db2.gz YFDYZWZABNRDAI-INIZCTEOSA-N 1 1 286.419 3.414 20 30 CGEDMO C#CC[N@@H+](C)Cc1cc(Cl)ccc1NC(=O)C(C)(C)C ZINC001238677011 820080753 /nfs/dbraw/zinc/08/07/53/820080753.db2.gz PRVDUOUMZFUVHK-UHFFFAOYSA-N 1 1 292.810 3.390 20 30 CGEDMO C#CC[N@H+](C)Cc1cc(Cl)ccc1NC(=O)C(C)(C)C ZINC001238677011 820080764 /nfs/dbraw/zinc/08/07/64/820080764.db2.gz PRVDUOUMZFUVHK-UHFFFAOYSA-N 1 1 292.810 3.390 20 30 CGEDMO COc1cc(F)c(C[NH+]2CCC(S)CC2)cc1Cl ZINC001238792207 820123811 /nfs/dbraw/zinc/12/38/11/820123811.db2.gz GBMPBTYPWZCPHI-UHFFFAOYSA-N 1 1 289.803 3.382 20 30 CGEDMO CCCCCCC[N@@H+](C)Cc1cn(-c2cnccn2)cn1 ZINC001238811105 820127138 /nfs/dbraw/zinc/12/71/38/820127138.db2.gz OYMVYSJNFTXXAR-UHFFFAOYSA-N 1 1 287.411 3.065 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2ccc(=O)n(C)c2)cc1 ZINC001240335265 820972713 /nfs/dbraw/zinc/97/27/13/820972713.db2.gz WWGDCURIFFFMTL-GOSISDBHSA-N 1 1 294.398 3.375 20 30 CGEDMO N#CCc1cccc(-c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC001240476712 821081794 /nfs/dbraw/zinc/08/17/94/821081794.db2.gz JIJQCJGPBKXWIE-UHFFFAOYSA-N 1 1 292.382 3.252 20 30 CGEDMO C#Cc1cccc(-c2cc(F)c3c(c2)C[N@@H+](C)CC3)c1 ZINC001241921132 822219014 /nfs/dbraw/zinc/21/90/14/822219014.db2.gz DJJQJGIPZFTRDB-UHFFFAOYSA-N 1 1 265.331 3.462 20 30 CGEDMO Cc1cc(C#N)cc(-c2cc(-n3ccnc3)cc[nH+]2)c1 ZINC001242478360 823006546 /nfs/dbraw/zinc/00/65/46/823006546.db2.gz DXIYYTJALNWSIC-UHFFFAOYSA-N 1 1 260.300 3.114 20 30 CGEDMO C=CCn1cnn(C[N@H+]2CCC[C@H](C)[C@H]2CCC)c1=S ZINC001339605879 936379257 /nfs/dbraw/zinc/37/92/57/936379257.db2.gz WDQFHDJSLNBIHO-UONOGXRCSA-N 1 1 294.468 3.458 20 30 CGEDMO C=CCn1cnn(C[N@@H+]2CCC[C@H](C)[C@H]2CCC)c1=S ZINC001339605879 936379261 /nfs/dbraw/zinc/37/92/61/936379261.db2.gz WDQFHDJSLNBIHO-UONOGXRCSA-N 1 1 294.468 3.458 20 30 CGEDMO C#C[C@H]([NH2+]Cc1cccc(C(=O)OC)c1)c1ccc(F)cc1 ZINC001347441067 936884408 /nfs/dbraw/zinc/88/44/08/936884408.db2.gz FSIBZDURZSFDLL-KRWDZBQOSA-N 1 1 297.329 3.076 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](C)CCC)C1 ZINC001479899313 936913674 /nfs/dbraw/zinc/91/36/74/936913674.db2.gz CGNYUCZFEHQPOC-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO C#Cc1ccc(N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nc1 ZINC001348084781 936909951 /nfs/dbraw/zinc/90/99/51/936909951.db2.gz TZMYDBMNPKROJQ-GOEBONIOSA-N 1 1 283.419 3.128 20 30 CGEDMO C#Cc1ccc(N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nc1 ZINC001348084778 936910071 /nfs/dbraw/zinc/91/00/71/936910071.db2.gz TZMYDBMNPKROJQ-GDBMZVCRSA-N 1 1 283.419 3.128 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[N@H+](C)CC[C@H]1CCC[C@H](C)C1 ZINC001480898678 926760736 /nfs/dbraw/zinc/76/07/36/926760736.db2.gz ATPJGZFWYHPFCN-JKSUJKDBSA-N 1 1 294.483 3.463 20 30 CGEDMO COc1ccc(C[NH2+]CCC#N)cc1OCCC(C)C ZINC000425990999 926778888 /nfs/dbraw/zinc/77/88/88/926778888.db2.gz QVAFFMOQJBAACO-UHFFFAOYSA-N 1 1 276.380 3.123 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCC1 ZINC001481055262 926874057 /nfs/dbraw/zinc/87/40/57/926874057.db2.gz CGIUJSSHQGKMOU-FUHWJXTLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CC[N@H+](CCC(C)C)C2)CCC1 ZINC001481108868 926887726 /nfs/dbraw/zinc/88/77/26/926887726.db2.gz GRRZRDDVRPWUHC-MRXNPFEDSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)C(F)=C2CCCC2)C1 ZINC001481483157 927000393 /nfs/dbraw/zinc/00/03/93/927000393.db2.gz ZOQZPZRIXGNTQX-CQSZACIVSA-N 1 1 294.414 3.140 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](CC)CCCC ZINC001481674307 927053785 /nfs/dbraw/zinc/05/37/85/927053785.db2.gz LIAFXSALJYXDCK-ULQDDVLXSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@](C)(CC)CCC)C1 ZINC001481694592 927057329 /nfs/dbraw/zinc/05/73/29/927057329.db2.gz MODSLUADYFCJCS-DOTOQJQBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)C2(CC)CC2)C1 ZINC001481692692 927057572 /nfs/dbraw/zinc/05/75/72/927057572.db2.gz IHHYIESCHHMPLP-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)C2(C)CCC2)C1 ZINC001481704450 927062640 /nfs/dbraw/zinc/06/26/40/927062640.db2.gz DXJYULJGHXIWEI-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)CC(C)(C)C2CC2)C1 ZINC001481701602 927063086 /nfs/dbraw/zinc/06/30/86/927063086.db2.gz NKONOHCFCXVQFT-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001481747730 927077945 /nfs/dbraw/zinc/07/79/45/927077945.db2.gz RPKJPCWWWUUEKT-HZPDHXFCSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)CCC(=O)N(CC)[C@@H]1CC[N@@H+](CCC(=C)C)C1 ZINC001481769695 927086973 /nfs/dbraw/zinc/08/69/73/927086973.db2.gz VKJOHFSNLUDSHJ-MRXNPFEDSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)CC(C)=C(C)C)C1 ZINC001481773592 927090091 /nfs/dbraw/zinc/09/00/91/927090091.db2.gz YDGSNQXANXYUBZ-INIZCTEOSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCCCC(=O)N(C)CC[N@H+](C)[C@@H](C)c1ccccc1 ZINC001496770274 927360575 /nfs/dbraw/zinc/36/05/75/927360575.db2.gz FFQDZDUEBVZGNV-INIZCTEOSA-N 1 1 288.435 3.494 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)C1C=CC=CC=C1 ZINC001483344062 927486465 /nfs/dbraw/zinc/48/64/65/927486465.db2.gz OPYFLQYAXZMESB-JKSUJKDBSA-N 1 1 288.435 3.076 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)C(C)(C)C ZINC001483353241 927487503 /nfs/dbraw/zinc/48/75/03/927487503.db2.gz KPVFNWJVQLCKAD-KGLIPLIRSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CC[N@H+]1[C@@H](C)c1ccccc1F ZINC001483635795 927554780 /nfs/dbraw/zinc/55/47/80/927554780.db2.gz NJFMDOCHGZJZJO-UONOGXRCSA-N 1 1 290.382 3.043 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)c1ccccc1F ZINC001483635795 927554785 /nfs/dbraw/zinc/55/47/85/927554785.db2.gz NJFMDOCHGZJZJO-UONOGXRCSA-N 1 1 290.382 3.043 20 30 CGEDMO C=CCC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCF ZINC001483827438 927630253 /nfs/dbraw/zinc/63/02/53/927630253.db2.gz SMIFPAPOYSPPCH-GASCZTMLSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)CCCCC(C)C)C1 ZINC001484065924 927669546 /nfs/dbraw/zinc/66/95/46/927669546.db2.gz QDMFIVNERHXGBI-QGZVFWFLSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CCCCC(=O)NC[C@]1(C)CCC[N@H+](C[C@H](C)CC)C1 ZINC001484156233 927680947 /nfs/dbraw/zinc/68/09/47/927680947.db2.gz KBILDCVTYONUBL-AEFFLSMTSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CC[N@@H+]1CCC[C@](C)(CNC(=O)c2cc(C)cs2)C1 ZINC001484159306 927683390 /nfs/dbraw/zinc/68/33/90/927683390.db2.gz RWESKVFPCCIDGN-MRXNPFEDSA-N 1 1 292.448 3.074 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)/C(C)=C/CC)CC1 ZINC001484708883 927741445 /nfs/dbraw/zinc/74/14/45/927741445.db2.gz YBUUDAHVYRZBOO-LRQZKABGSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CC[N@H+](C)CCCN(C)C(=O)c1cc(Cl)ccc1F ZINC001484749340 927751608 /nfs/dbraw/zinc/75/16/08/927751608.db2.gz HIOSBGRCWSVTGW-UHFFFAOYSA-N 1 1 298.789 3.059 20 30 CGEDMO C=CC[N@H+](C)CCCN(C)C(=O)c1cc(C)c(F)c(C)c1 ZINC001484767710 927754215 /nfs/dbraw/zinc/75/42/15/927754215.db2.gz PCFZPCPAOBECLK-UHFFFAOYSA-N 1 1 292.398 3.022 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)CC(C)=C(C)C ZINC001484755245 927756802 /nfs/dbraw/zinc/75/68/02/927756802.db2.gz PUXZQKDMQKOARK-UHFFFAOYSA-N 1 1 266.429 3.089 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)/C(C)=C/CC)C2 ZINC001484826276 927760658 /nfs/dbraw/zinc/76/06/58/927760658.db2.gz SWYUSEJPHGIWOL-XSZFBFBBSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)[C@H](C)C1 ZINC001484969446 927776163 /nfs/dbraw/zinc/77/61/63/927776163.db2.gz WPUUXKOPCYAKPE-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)C(C)C)C[C@@H]1C ZINC001484967518 927777832 /nfs/dbraw/zinc/77/78/32/927777832.db2.gz LRYCYBGVRHYOBS-JKSUJKDBSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC[N@H+](CC)CC1CCN(C(=O)[C@@H](C)C(C)C)CC1 ZINC001485032823 927788244 /nfs/dbraw/zinc/78/82/44/927788244.db2.gz KQATUIGHZLWFDI-HNNXBMFYSA-N 1 1 280.456 3.025 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)C1(CC)CCC1 ZINC001485065092 927796344 /nfs/dbraw/zinc/79/63/44/927796344.db2.gz FVFPHYDMYOZIAE-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)C1(CC)CCC1 ZINC001485065842 927796988 /nfs/dbraw/zinc/79/69/88/927796988.db2.gz OZXCZJDVPTTWNG-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@H]1CCCN1C(=O)C1CCC1 ZINC001485048039 927797620 /nfs/dbraw/zinc/79/76/20/927797620.db2.gz RXCYZJXAHCYTLN-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@]12C[C@@H]1CCCC2 ZINC001485070096 927800295 /nfs/dbraw/zinc/80/02/95/927800295.db2.gz VKHSSPRAIBZOON-BQFCYCMXSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC(=O)NC[C@@H](C)[N@@H+](C)[C@H]1CCc2ccccc21 ZINC001485284047 927838760 /nfs/dbraw/zinc/83/87/60/927838760.db2.gz DZGHXERIOWTAJU-PBHICJAKSA-N 1 1 286.419 3.077 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1ccsc1C ZINC001485303894 927848972 /nfs/dbraw/zinc/84/89/72/927848972.db2.gz LOHVEMJAFAMPIQ-STQMWFEESA-N 1 1 294.464 3.461 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)c1ccccc1CCC ZINC001485325840 927850197 /nfs/dbraw/zinc/85/01/97/927850197.db2.gz ATFHTXZDLNIADS-OAHLLOKOSA-N 1 1 288.435 3.265 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)CNC(=O)CC/C=C\c1ccccc1 ZINC001485352488 927853561 /nfs/dbraw/zinc/85/35/61/927853561.db2.gz ZWYZQPJQEBSAGU-IYCSXQJISA-N 1 1 286.419 3.103 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)c1cc(C)ccc1F ZINC001485357589 927855856 /nfs/dbraw/zinc/85/58/56/927855856.db2.gz NFCBMKYKVHBDFS-CQSZACIVSA-N 1 1 292.398 3.150 20 30 CGEDMO C=CC[C@H]1[N@@H+](CC2(CC(=O)OC)CC2)CCCC1(C)C ZINC001473432170 937199202 /nfs/dbraw/zinc/19/92/02/937199202.db2.gz KGVSFZMJBRHHOG-CQSZACIVSA-N 1 1 279.424 3.396 20 30 CGEDMO C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)CC ZINC001485481299 927878827 /nfs/dbraw/zinc/87/88/27/927878827.db2.gz BVKVHDQPGTVABG-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)[C@@H](C)C2CCC2)C(C)(C)C1 ZINC001485569133 927890083 /nfs/dbraw/zinc/89/00/83/927890083.db2.gz GJMMKLRPSFHIGP-HOCLYGCPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCCC)C[C@@H]2C1 ZINC001485656816 927894605 /nfs/dbraw/zinc/89/46/05/927894605.db2.gz XXYBUJJELLTTLA-BBWFWOEESA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCCC[N@H+](C)C1CCN(C(=O)C(C)C)CC1 ZINC001485753838 927913461 /nfs/dbraw/zinc/91/34/61/927913461.db2.gz OPJFPGZPADHEOV-UHFFFAOYSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CCCCCCC(=O)N1CCC([N@H+](C)CC(C)C)CC1 ZINC001485762463 927916172 /nfs/dbraw/zinc/91/61/72/927916172.db2.gz YJXHHPOORDMXFU-UHFFFAOYSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2ccc3scnc3c2)C1 ZINC001474389246 937204841 /nfs/dbraw/zinc/20/48/41/937204841.db2.gz KRZMFNZULKMRKB-ZDUSSCGKSA-N 1 1 274.389 3.073 20 30 CGEDMO C=CCCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3CC)CCC[C@H]12 ZINC001486144149 927989124 /nfs/dbraw/zinc/98/91/24/927989124.db2.gz GAVBPJOCFBRDDG-XLMAVXFVSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)CCCCC)[C@@H]1C ZINC001486163393 927994294 /nfs/dbraw/zinc/99/42/94/927994294.db2.gz HEOFJPSFSPWHGO-LSDHHAIUSA-N 1 1 266.429 3.112 20 30 CGEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)CC(C)(C)C)[C@@H]1C ZINC001486188462 927997393 /nfs/dbraw/zinc/99/73/93/927997393.db2.gz YYQCBRAQBJJIGI-LSDHHAIUSA-N 1 1 292.467 3.051 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)CC(C)(C)C)[C@@H]1C ZINC001486188462 927997403 /nfs/dbraw/zinc/99/74/03/927997403.db2.gz YYQCBRAQBJJIGI-LSDHHAIUSA-N 1 1 292.467 3.051 20 30 CGEDMO CC#CC[N@@H+](C)CCN(C(=O)[C@@H]1CCCC[C@H]1C)C(C)C ZINC001486375014 928015489 /nfs/dbraw/zinc/01/54/89/928015489.db2.gz QSCXPEUTIMUTII-IAGOWNOFSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CNC(=O)c2ccsc2)CC1 ZINC001486501767 928028775 /nfs/dbraw/zinc/02/87/75/928028775.db2.gz HDUUQSIVUSHEID-UHFFFAOYSA-N 1 1 290.432 3.076 20 30 CGEDMO CC[C@@H]1C[C@@H]([N@@H+](CCC#N)C2CCCC2)CCO1 ZINC001170217519 928118736 /nfs/dbraw/zinc/11/87/36/928118736.db2.gz BJJXBSSAZVVFRN-LSDHHAIUSA-N 1 1 250.386 3.102 20 30 CGEDMO C#Cc1ccc(C[N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)cc1 ZINC001144568353 928198168 /nfs/dbraw/zinc/19/81/68/928198168.db2.gz RQYQYYAPDRDRQF-GASCZTMLSA-N 1 1 261.315 3.145 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(C)CCC(C)CC1 ZINC001488698236 928291507 /nfs/dbraw/zinc/29/15/07/928291507.db2.gz ILTBDSLWIQTKJU-PQUAAJSLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[N@H+](C[C@@H](C)CC)[C@@H]1C ZINC001489266992 928320971 /nfs/dbraw/zinc/32/09/71/928320971.db2.gz AXXMCSGYUBRLPR-ZNMIVQPWSA-N 1 1 280.456 3.214 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CC[C@@H](C)CC)[C@H]1C ZINC001489299045 928326277 /nfs/dbraw/zinc/32/62/77/928326277.db2.gz YGIUHYBPFFPQAG-XHSDSOJGSA-N 1 1 280.456 3.358 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)CCCCC)CC(C)(C)C1 ZINC001489340815 928327062 /nfs/dbraw/zinc/32/70/62/928327062.db2.gz UAXHGNUJBJHWTK-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)CC1CCC1 ZINC001489322696 928330642 /nfs/dbraw/zinc/33/06/42/928330642.db2.gz PEDYPAUYILXQPP-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCNC(=O)[C@@]1(C)CCC[C@@H]1C ZINC001490243726 928335697 /nfs/dbraw/zinc/33/56/97/928335697.db2.gz IFAPEDYRJXTSMH-RDJZCZTQSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@@H+](C)CCCNC(=O)C1[C@H]2CCCCCC[C@H]12 ZINC001490256366 928339282 /nfs/dbraw/zinc/33/92/82/928339282.db2.gz YELGOCUPFYTRKV-HOTGVXAUSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)[C@@]1(C)CC=CCC1)C1CC1 ZINC001490373876 928351789 /nfs/dbraw/zinc/35/17/89/928351789.db2.gz AUFLOSCHKGXBEM-SFHVURJKSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)C2(F)CCCC2)C1 ZINC001490442531 928359742 /nfs/dbraw/zinc/35/97/42/928359742.db2.gz QOPJUNDYARLNSR-HUUCEWRRSA-N 1 1 296.430 3.204 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@H+](CC=C(C)C)C1 ZINC001490438435 928360611 /nfs/dbraw/zinc/36/06/11/928360611.db2.gz MPRZALLRDQWBQC-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@H](C[N@@H+](C)CC=C(C)C)C1 ZINC001490768515 928386426 /nfs/dbraw/zinc/38/64/26/928386426.db2.gz PBXBMSFIZWFBSB-MRXNPFEDSA-N 1 1 292.467 3.335 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)C2(CC=C)CCC2)C1 ZINC001490770027 928387151 /nfs/dbraw/zinc/38/71/51/928387151.db2.gz AAJODAVQNQWLEI-INIZCTEOSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)C(C)(C)C)C1 ZINC001490766801 928387788 /nfs/dbraw/zinc/38/77/88/928387788.db2.gz PLICJIAVBMXEIF-GJZGRUSLSA-N 1 1 280.456 3.025 20 30 CGEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](CC(C)(C)C)C2(C)C)C1=O ZINC001307835409 928506528 /nfs/dbraw/zinc/50/65/28/928506528.db2.gz OEBDHVYOJHKCBG-HUUCEWRRSA-N 1 1 292.467 3.310 20 30 CGEDMO Cc1cc(F)c(C#N)c(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC001458461757 937464138 /nfs/dbraw/zinc/46/41/38/937464138.db2.gz LQYIEHDMUAMWNF-NVXWUHKLSA-N 1 1 287.382 3.435 20 30 CGEDMO CC(C)C[N@H+](CCC#N)Cc1ccc2c(c1)OC(F)(F)O2 ZINC001459538309 937490855 /nfs/dbraw/zinc/49/08/55/937490855.db2.gz IATDIPQPHJCCIG-UHFFFAOYSA-N 1 1 296.317 3.380 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc2c(c1)OC(F)(F)O2 ZINC001459538309 937490857 /nfs/dbraw/zinc/49/08/57/937490857.db2.gz IATDIPQPHJCCIG-UHFFFAOYSA-N 1 1 296.317 3.380 20 30 CGEDMO CCCC[N@@H+](CCCO)Cc1cc(Cl)cc(C#N)c1 ZINC001459843591 937503325 /nfs/dbraw/zinc/50/33/25/937503325.db2.gz WZSIPYUKCHNKLO-UHFFFAOYSA-N 1 1 280.799 3.196 20 30 CGEDMO CC[C@@]1(C)COCC[N@H+]1Cc1c(C)cc(C#N)cc1C ZINC001459878635 937504237 /nfs/dbraw/zinc/50/42/37/937504237.db2.gz BAYCMSWQQJUBJL-KRWDZBQOSA-N 1 1 272.392 3.176 20 30 CGEDMO CCCCCCC[N@@H+]1CCNC(=O)[C@H]1c1ccccc1C ZINC001459920402 937506696 /nfs/dbraw/zinc/50/66/96/937506696.db2.gz FYLXURGCIAYGIN-QGZVFWFLSA-N 1 1 288.435 3.438 20 30 CGEDMO CCCCCCC[N@H+]1CCNC(=O)[C@H]1c1ccccc1C ZINC001459920402 937506699 /nfs/dbraw/zinc/50/66/99/937506699.db2.gz FYLXURGCIAYGIN-QGZVFWFLSA-N 1 1 288.435 3.438 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)C[C@H](C)CC(C)(C)C ZINC001460034264 937512177 /nfs/dbraw/zinc/51/21/77/937512177.db2.gz YXHMQZXQOBBLHP-OAHLLOKOSA-N 1 1 254.462 3.498 20 30 CGEDMO CCCCCCCC[N@H+]1CC2CC1(C(=O)OCC)C2 ZINC001460475375 937532182 /nfs/dbraw/zinc/53/21/82/937532182.db2.gz TXRSEZKHMMNVHP-UHFFFAOYSA-N 1 1 267.413 3.374 20 30 CGEDMO CC#CC[N@@H+](Cc1ccccc1)[C@@H](CO)c1ccccc1 ZINC001460630496 937537469 /nfs/dbraw/zinc/53/74/69/937537469.db2.gz FSOZTMWOFVBFKW-IBGZPJMESA-N 1 1 279.383 3.246 20 30 CGEDMO COCC[N@@H+](Cc1cc(C#N)ccc1Cl)C(C)C ZINC001140601728 931959221 /nfs/dbraw/zinc/95/92/21/931959221.db2.gz ZSNWCPJHFMUMRY-UHFFFAOYSA-N 1 1 266.772 3.068 20 30 CGEDMO C#C[C@H]1CCCC[N@H+]1Cc1ccc(Cl)c(OC)c1 ZINC001460916010 937552812 /nfs/dbraw/zinc/55/28/12/937552812.db2.gz KZMSZBSGFAJIIC-ZDUSSCGKSA-N 1 1 263.768 3.336 20 30 CGEDMO C#C[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)c(OC)c1 ZINC001460916010 937552814 /nfs/dbraw/zinc/55/28/14/937552814.db2.gz KZMSZBSGFAJIIC-ZDUSSCGKSA-N 1 1 263.768 3.336 20 30 CGEDMO C#Cc1ccc(CN[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001461093827 937563532 /nfs/dbraw/zinc/56/35/32/937563532.db2.gz GOWDZXMBEARMCF-BBWFWOEESA-N 1 1 284.447 3.124 20 30 CGEDMO C#Cc1ccc(C[NH2+][C@@H](C)CN2C[C@H](C)C[C@H](C)C2)cc1 ZINC001461093827 937563533 /nfs/dbraw/zinc/56/35/33/937563533.db2.gz GOWDZXMBEARMCF-BBWFWOEESA-N 1 1 284.447 3.124 20 30 CGEDMO C=CCC[C@H](CC)Oc1ccc(C(=[NH2+])NO)c(F)c1 ZINC001229080344 932088868 /nfs/dbraw/zinc/08/88/68/932088868.db2.gz FTLYPFCMAMEWJY-JTQLQIEISA-N 1 1 266.316 3.253 20 30 CGEDMO C=CCOc1ccccc1O[C@@H]1CCC[N@H+](CC)C1 ZINC001229612071 932177761 /nfs/dbraw/zinc/17/77/61/932177761.db2.gz SEKBJUOTVIMROC-CQSZACIVSA-N 1 1 261.365 3.115 20 30 CGEDMO N#Cc1csc(C[NH2+]Cc2cccc(F)c2F)c1 ZINC001461671966 937591412 /nfs/dbraw/zinc/59/14/12/937591412.db2.gz RRRHUIJYYZONDB-UHFFFAOYSA-N 1 1 264.300 3.188 20 30 CGEDMO C=CC[N@@H+](CC(C)(C)CNC(=O)OC(C)(C)C)C(C)C ZINC001461889639 937604440 /nfs/dbraw/zinc/60/44/40/937604440.db2.gz VFRXGCAPYLMCDQ-UHFFFAOYSA-N 1 1 284.444 3.434 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)/C(C)=C\CC)CC1 ZINC001230531290 932584155 /nfs/dbraw/zinc/58/41/55/932584155.db2.gz ZKHFYDCHBGAZJZ-IJZIWBRISA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCCF)CC1 ZINC001230586547 932592848 /nfs/dbraw/zinc/59/28/48/932592848.db2.gz AVSOSAYZXDKVCU-INIZCTEOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)CC1CCCC1 ZINC001230662606 932605379 /nfs/dbraw/zinc/60/53/79/932605379.db2.gz AMPJBFBONBFOGW-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(C)c1 ZINC001230658846 932605903 /nfs/dbraw/zinc/60/59/03/932605903.db2.gz IGARNBDKEYSJNP-QGZVFWFLSA-N 1 1 286.419 3.108 20 30 CGEDMO Cc1cc(C#N)ccc1O[C@H]1CCC[N@H+](C(C)C)C1 ZINC001230682151 932608705 /nfs/dbraw/zinc/60/87/05/932608705.db2.gz HRUDRAYTDMGETK-HNNXBMFYSA-N 1 1 258.365 3.118 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC(C)C ZINC001230730394 932616062 /nfs/dbraw/zinc/61/60/62/932616062.db2.gz CVFOOCXZRAEKFT-JKSUJKDBSA-N 1 1 280.456 3.310 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](CNC(=O)OC(C)(C)C)C(C)C ZINC001462094298 937617690 /nfs/dbraw/zinc/61/76/90/937617690.db2.gz PIJNEKMERLFMJC-CQSZACIVSA-N 1 1 284.444 3.291 20 30 CGEDMO C=C(C)CCC(=O)N1CCC([N@H+](C)C[C@@H](F)CC)CC1 ZINC001331029068 932680781 /nfs/dbraw/zinc/68/07/81/932680781.db2.gz MOWKBUBTWMUPBB-AWEZNQCLSA-N 1 1 284.419 3.014 20 30 CGEDMO C=CCC[C@H]([NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1)C(=O)OCC ZINC001462245502 937626600 /nfs/dbraw/zinc/62/66/00/937626600.db2.gz AYVLSDGBZYLVHO-BARDWOONSA-N 1 1 267.413 3.299 20 30 CGEDMO CC(C)OC[C@H](O)C[N@@H+](CCC#N)C1CCCCCCC1 ZINC001252675028 932721750 /nfs/dbraw/zinc/72/17/50/932721750.db2.gz ZZYXLMVDIBCLDG-QGZVFWFLSA-N 1 1 296.455 3.101 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C2(CC)CC2)[C@@H]1C ZINC001332208386 932735224 /nfs/dbraw/zinc/73/52/24/932735224.db2.gz VXZNAVSXXCFNNB-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO CCC/C=C/CC[N@@H+](C)CCCNC(=O)C#CC(C)(C)C ZINC001264985359 932741855 /nfs/dbraw/zinc/74/18/55/932741855.db2.gz VOEVOXJYNGXRIG-CMDGGOBGSA-N 1 1 292.467 3.220 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(CCC)CCC1 ZINC001316599096 932743146 /nfs/dbraw/zinc/74/31/46/932743146.db2.gz AMFUEZNPXGCHIG-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)C/C=C/c1ccc(C)cc1 ZINC001316609558 932748085 /nfs/dbraw/zinc/74/80/85/932748085.db2.gz CZPSMGNAGPVMKC-QWNKOJSDSA-N 1 1 298.430 3.117 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)/C=C(/C)CC)C1 ZINC001491924708 932798433 /nfs/dbraw/zinc/79/84/33/932798433.db2.gz IBSUNJFGYHPCCP-RTYFKUQISA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)CC1=CCCCC1 ZINC001492215162 932811007 /nfs/dbraw/zinc/81/10/07/932811007.db2.gz NRKIKLGBUKOSDE-HNNXBMFYSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)C2(C)CC2)C1 ZINC001317374214 932859763 /nfs/dbraw/zinc/85/97/63/932859763.db2.gz BSMWZFBSTSITHE-HUUCEWRRSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)C1CCC(=C)CC1 ZINC001317459898 932882954 /nfs/dbraw/zinc/88/29/54/932882954.db2.gz OMVXEBADPNPETH-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO CO[C@H](C)C[N@@H+](Cc1cc(Cl)cc(C#N)c1)C(C)C ZINC001307481672 932960168 /nfs/dbraw/zinc/96/01/68/932960168.db2.gz HHOALBPDDJDZRP-GFCCVEGCSA-N 1 1 280.799 3.457 20 30 CGEDMO C[C@@H]([NH2+]Cc1cc(C#N)ccn1)c1ccccc1Cl ZINC001307740031 932994351 /nfs/dbraw/zinc/99/43/51/932994351.db2.gz AYVHYLOIBNILOR-LLVKDONJSA-N 1 1 271.751 3.457 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(C(=O)OC(C)C)cc2)C1 ZINC001307871821 933011506 /nfs/dbraw/zinc/01/15/06/933011506.db2.gz HINDBVAZHZYGRZ-INIZCTEOSA-N 1 1 299.414 3.487 20 30 CGEDMO C=C(C)C[C@H]([NH2+]C1C[C@@H](C)C[C@H](C)C1)C(=O)OCC ZINC001462551157 937649690 /nfs/dbraw/zinc/64/96/90/937649690.db2.gz UXDGXHUFVFVMAN-YDHLFZDLSA-N 1 1 267.413 3.299 20 30 CGEDMO C#C[C@H]1CCC[N@H+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC001307877127 933013133 /nfs/dbraw/zinc/01/31/33/933013133.db2.gz DRHQZTBFKIPGGT-ZDUSSCGKSA-N 1 1 297.320 3.473 20 30 CGEDMO C#C[C@H]1CCC[N@H+](CCC2(C(=O)OC(C)(C)C)CCC2)C1 ZINC001307877987 933013762 /nfs/dbraw/zinc/01/37/62/933013762.db2.gz NMNFENVOPAQGFX-HNNXBMFYSA-N 1 1 291.435 3.234 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCC(C)(C)[C@H](c2ccccc2)C1 ZINC001308115118 933051927 /nfs/dbraw/zinc/05/19/27/933051927.db2.gz XXSRSTDXFMWDQP-RDJZCZTQSA-N 1 1 286.419 3.431 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001308124757 933053217 /nfs/dbraw/zinc/05/32/17/933053217.db2.gz PVDVXFNIBFICSN-KKUMJFAQSA-N 1 1 296.455 3.434 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1C[C@H](O)Cc1ccc(F)cc1 ZINC001308137612 933054995 /nfs/dbraw/zinc/05/49/95/933054995.db2.gz RHNJICYLKDTUHY-IAGOWNOFSA-N 1 1 277.383 3.160 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC001308137068 933055085 /nfs/dbraw/zinc/05/50/85/933055085.db2.gz NYEFQNVMNQQIEH-BRWVUGGUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001308139316 933057306 /nfs/dbraw/zinc/05/73/06/933057306.db2.gz FOSXGYFGWFBQRA-GFCCVEGCSA-N 1 1 266.728 3.399 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001308139316 933057314 /nfs/dbraw/zinc/05/73/14/933057314.db2.gz FOSXGYFGWFBQRA-GFCCVEGCSA-N 1 1 266.728 3.399 20 30 CGEDMO CC(C)[C@H]1C[C@@H](N2CCCC2)C[N@@H+]1Cc1ccc(C#N)cc1 ZINC001308151247 933057718 /nfs/dbraw/zinc/05/77/18/933057718.db2.gz KXSYXFLWPKPSQZ-RTBURBONSA-N 1 1 297.446 3.253 20 30 CGEDMO CC(C)[C@H]1C[C@@H](N2CCCC2)C[N@H+]1Cc1ccc(C#N)cc1 ZINC001308151247 933057723 /nfs/dbraw/zinc/05/77/23/933057723.db2.gz KXSYXFLWPKPSQZ-RTBURBONSA-N 1 1 297.446 3.253 20 30 CGEDMO CC[C@@H](C)C[N@@H+](CC)Cc1cc(C#N)ccc1N(C)C ZINC001308582364 933136536 /nfs/dbraw/zinc/13/65/36/933136536.db2.gz IXNLQKSVGCYDLF-CQSZACIVSA-N 1 1 273.424 3.492 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)Cc1c(C)ccnc1N ZINC001308584928 933138330 /nfs/dbraw/zinc/13/83/30/933138330.db2.gz KGXFWBIGDVCDDX-UHFFFAOYSA-N 1 1 267.376 3.160 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1c(C)ccnc1N ZINC001308584928 933138332 /nfs/dbraw/zinc/13/83/32/933138332.db2.gz KGXFWBIGDVCDDX-UHFFFAOYSA-N 1 1 267.376 3.160 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@H+](CCc1ccc(F)cc1F)C2 ZINC001308837821 933186896 /nfs/dbraw/zinc/18/68/96/933186896.db2.gz PVCFWVCEBKSCBF-UHFFFAOYSA-N 1 1 284.309 3.395 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@@H+](CCc1ccc(F)cc1F)C2 ZINC001308837821 933186898 /nfs/dbraw/zinc/18/68/98/933186898.db2.gz PVCFWVCEBKSCBF-UHFFFAOYSA-N 1 1 284.309 3.395 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)C[C@H](C)CC(C)(C)C ZINC001317511368 933306025 /nfs/dbraw/zinc/30/60/25/933306025.db2.gz QZUWVYYINCBTOK-HOTGVXAUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C)C[C@@H]2C1 ZINC001316758360 933477527 /nfs/dbraw/zinc/47/75/27/933477527.db2.gz BAQNAXWOKJGGFZ-XHSDSOJGSA-N 1 1 292.467 3.168 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H]2C)[C@H]1C ZINC001316788352 933480278 /nfs/dbraw/zinc/48/02/78/933480278.db2.gz QYWJNHHHVFWLLW-FZKCQIBNSA-N 1 1 280.456 3.192 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](C)C1CCC1 ZINC001316802138 933482051 /nfs/dbraw/zinc/48/20/51/933482051.db2.gz FHJAXLPXYARDBK-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO CC#CC[N@H+]1CC[C@H](NC(=O)CC(C)(C)C)CC(C)(C)C1 ZINC001316808965 933485383 /nfs/dbraw/zinc/48/53/83/933485383.db2.gz ZATXBHMDDHNTSG-HNNXBMFYSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@H+](CC)CC(C)(C)C2)CCC1 ZINC001316811343 933486122 /nfs/dbraw/zinc/48/61/22/933486122.db2.gz MKXIYDIMQXCKLY-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCCC[N@H+](CC)CC1CCC1 ZINC001316897238 933492959 /nfs/dbraw/zinc/49/29/59/933492959.db2.gz LQPHSWXLPKLBEF-UHFFFAOYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)c1occc1Cl)C1CC1 ZINC001316923759 933493927 /nfs/dbraw/zinc/49/39/27/933493927.db2.gz UNDYHAMNFYZNPL-UHFFFAOYSA-N 1 1 296.798 3.093 20 30 CGEDMO C=C(C)CC[N@@H+](CCCNC(=O)c1occc1C)C1CC1 ZINC001316913440 933494453 /nfs/dbraw/zinc/49/44/53/933494453.db2.gz MIVIOYLFNJSCOX-UHFFFAOYSA-N 1 1 290.407 3.139 20 30 CGEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H](CCCC)C(C)C)C1 ZINC001316953501 933502150 /nfs/dbraw/zinc/50/21/50/933502150.db2.gz MEZIQESKWAFSTO-DLBZAZTESA-N 1 1 292.467 3.053 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](CCCC)C(C)C)C1 ZINC001316953501 933502156 /nfs/dbraw/zinc/50/21/56/933502156.db2.gz MEZIQESKWAFSTO-DLBZAZTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)c2ccoc2CC)C1 ZINC001316974941 933504697 /nfs/dbraw/zinc/50/46/97/933504697.db2.gz ACXXOODLSCRSKM-KBPBESRZSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CC(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=C)Cl ZINC001317094379 933528715 /nfs/dbraw/zinc/52/87/15/933528715.db2.gz NAGZZRRWOJYGFW-AGUYFDCRSA-N 1 1 296.842 3.063 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)C[C@@H]2CC=CCC2)C1 ZINC001317136275 933539839 /nfs/dbraw/zinc/53/98/39/933539839.db2.gz BPWWEXSJPYGNLK-SJORKVTESA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)C2(CCCC)CC2)C1 ZINC001317135981 933540296 /nfs/dbraw/zinc/54/02/96/933540296.db2.gz VWASZBSWMUPBEA-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)C2(CC)CC2)C1 ZINC001317376949 933578665 /nfs/dbraw/zinc/57/86/65/933578665.db2.gz APBXQEBZENIUOD-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)CCC(C)C ZINC001317420103 933591963 /nfs/dbraw/zinc/59/19/63/933591963.db2.gz MYYPIYJLQUQTFV-INIZCTEOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@@H+](CC)CCNC(=O)C/C=C\c1ccc(C)cc1 ZINC001317491010 933602619 /nfs/dbraw/zinc/60/26/19/933602619.db2.gz DAFYRWWIMZFGJM-SREVYHEPSA-N 1 1 286.419 3.022 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)C1CCCC1 ZINC001317491505 933603268 /nfs/dbraw/zinc/60/32/68/933603268.db2.gz KDHGFJIOYPORBS-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C=C1CCCCC1 ZINC001317497173 933605228 /nfs/dbraw/zinc/60/52/28/933605228.db2.gz LOIFYCIPPTVVIF-OAHLLOKOSA-N 1 1 296.842 3.210 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C=C1CCCCC1 ZINC001317497173 933605234 /nfs/dbraw/zinc/60/52/34/933605234.db2.gz LOIFYCIPPTVVIF-OAHLLOKOSA-N 1 1 296.842 3.210 20 30 CGEDMO C=C1CC(C)(C(=O)NCC[N@H+](CCC)C[C@@H](C)CC)C1 ZINC001317544704 933615622 /nfs/dbraw/zinc/61/56/22/933615622.db2.gz AVRHYAHKYWJNTF-AWEZNQCLSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@@H+](CCC)CCNC(=O)c1c(C)cccc1C ZINC001317544729 933615642 /nfs/dbraw/zinc/61/56/42/933615642.db2.gz BMBJTNMSGSGXFX-UHFFFAOYSA-N 1 1 288.435 3.321 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CCNC(=O)CC(C)(C)C)C1CC1 ZINC001317547655 933618471 /nfs/dbraw/zinc/61/84/71/933618471.db2.gz JMVXCVQLKKNFHR-AWEZNQCLSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)[C@H]1CCCC[C@H]1CC)C1CC1 ZINC001317559375 933619717 /nfs/dbraw/zinc/61/97/17/933619717.db2.gz WGKXZFLMLUILHP-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)[C@H]1CCC[C@@H](F)C1)C(C)C ZINC001317685998 933632307 /nfs/dbraw/zinc/63/23/07/933632307.db2.gz GZMJLIKANFZALV-JKSUJKDBSA-N 1 1 298.446 3.308 20 30 CGEDMO C=C(C)C[C@@H]([NH2+]CC1CCC(C)(C)CC1)C(=O)OC ZINC001474668073 933638304 /nfs/dbraw/zinc/63/83/04/933638304.db2.gz PHKQAKYFHMRELH-CQSZACIVSA-N 1 1 267.413 3.300 20 30 CGEDMO C=CC[N@H+]1CC[C@H](CCNC(=O)C2CCCCCCC2)C1 ZINC001317792202 933649205 /nfs/dbraw/zinc/64/92/05/933649205.db2.gz JBEKKDBLGPBOCK-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](CCNC(=O)[C@]2(C)CC=CCC2)C1 ZINC001317790862 933649608 /nfs/dbraw/zinc/64/96/08/933649608.db2.gz WRUASRMTNJETIR-FUHWJXTLSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@](C)(CC)CCC)C1 ZINC001317804939 933651655 /nfs/dbraw/zinc/65/16/55/933651655.db2.gz GONGXKWUFQSDRR-NVXWUHKLSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)/C(C)=C/CC)C1 ZINC001317830048 933656797 /nfs/dbraw/zinc/65/67/97/933656797.db2.gz FNHSUHRACYTGFG-NPTTZVSOSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)/C=C/C(C)(C)C)C1 ZINC001317926046 933665918 /nfs/dbraw/zinc/66/59/18/933665918.db2.gz VBGRLNAXKKYQPY-TUPIDYKKSA-N 1 1 278.440 3.136 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)C(C)(C)C)C1 ZINC001318299663 933707016 /nfs/dbraw/zinc/70/70/16/933707016.db2.gz JSRMQQSVBFNMCV-AWEZNQCLSA-N 1 1 268.445 3.193 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2csc(C)c2C)C1 ZINC001318333929 933711678 /nfs/dbraw/zinc/71/16/78/933711678.db2.gz LRJOGEFANWLDMH-CQSZACIVSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2occc2C)C1 ZINC001318379599 933717353 /nfs/dbraw/zinc/71/73/53/933717353.db2.gz ICPQQDYRBHDKOE-GJZGRUSLSA-N 1 1 290.407 3.089 20 30 CGEDMO C=CCCC(=O)N(C)[C@@H]1CC[N@H+](CCCCCC)C1 ZINC001318387877 933719896 /nfs/dbraw/zinc/71/98/96/933719896.db2.gz VQGQUDCPKAQALN-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@](C)(C=C)CC)C1 ZINC001318426015 933724140 /nfs/dbraw/zinc/72/41/40/933724140.db2.gz RPXWRFJBYCRHNP-RDJZCZTQSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CC(C)(C)CCNC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC001467673427 937720666 /nfs/dbraw/zinc/72/06/66/937720666.db2.gz CABSWVCDEDDJNH-HUUCEWRRSA-N 1 1 295.471 3.151 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)C[C@@H]1CCC[C@H]1C ZINC001319998824 933976694 /nfs/dbraw/zinc/97/66/94/933976694.db2.gz DHOIRMZOXFOSHE-CVEARBPZSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N(C)CC[N@@H+](C)Cc1ccsc1 ZINC001320034851 933983378 /nfs/dbraw/zinc/98/33/78/933983378.db2.gz MTDVKAXPLRQYLA-AWEZNQCLSA-N 1 1 294.464 3.241 20 30 CGEDMO C=CC1(CC(=O)N(C)CC[N@@H+](C)CC2CC2)CCCCC1 ZINC001320061733 933990034 /nfs/dbraw/zinc/99/00/34/933990034.db2.gz NSMVKHIWLWTMQQ-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO CCCCCCCCNC(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC001469355344 937738472 /nfs/dbraw/zinc/73/84/72/937738472.db2.gz SUBPXZSQMLFRAD-HUUCEWRRSA-N 1 1 295.471 3.271 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccc(C)c(Cl)c2)C1 ZINC001321020863 934136480 /nfs/dbraw/zinc/13/64/80/934136480.db2.gz XTLWWHLBEQFMET-AWEZNQCLSA-N 1 1 265.784 3.425 20 30 CGEDMO C=CC[C@H]([NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)C(=O)OCC ZINC001321150040 934155939 /nfs/dbraw/zinc/15/59/39/934155939.db2.gz SKDIQPXQSDBRME-JJXSEGSLSA-N 1 1 279.424 3.443 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC001321445728 934185012 /nfs/dbraw/zinc/18/50/12/934185012.db2.gz HTOBXWSUQRZVQC-IUODEOHRSA-N 1 1 278.783 3.406 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)C1(C)CCCC1 ZINC001322211071 934259365 /nfs/dbraw/zinc/25/93/65/934259365.db2.gz SPKRGQWMGOTMOQ-HUUCEWRRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(F)c(Cl)c1 ZINC001322232112 934261425 /nfs/dbraw/zinc/26/14/25/934261425.db2.gz ZYBPSKFBUWMHHI-NSHDSACASA-N 1 1 298.789 3.105 20 30 CGEDMO C=CCC1(C(=O)N[C@@H](C)C[N@H+](C)C/C=C/Cl)CCCC1 ZINC001322312116 934276739 /nfs/dbraw/zinc/27/67/39/934276739.db2.gz DFEMJNPAKGENHY-OIOXUXFSSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCC1(C(=O)N[C@@H](C)C[N@@H+](C)C/C=C/Cl)CCCC1 ZINC001322312116 934276747 /nfs/dbraw/zinc/27/67/47/934276747.db2.gz DFEMJNPAKGENHY-OIOXUXFSSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCC1(C(=O)N[C@H](C)C[N@H+](C)CC[C@H](C)F)CCCC1 ZINC001322315480 934279175 /nfs/dbraw/zinc/27/91/75/934279175.db2.gz UNEPLOQMXYSFLW-LSDHHAIUSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)CC1CCCC1 ZINC001323179398 934370912 /nfs/dbraw/zinc/37/09/12/934370912.db2.gz SMXKMDWQUTZDGK-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)C12CCC(CC1)C2 ZINC001323262451 934376766 /nfs/dbraw/zinc/37/67/66/934376766.db2.gz NRLHUGSGINOCRD-JBCIKUTRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCCC(C)C ZINC001323696155 934418085 /nfs/dbraw/zinc/41/80/85/934418085.db2.gz MZNDFELHZDMOTJ-SJORKVTESA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC001323786157 934425862 /nfs/dbraw/zinc/42/58/62/934425862.db2.gz RUPGFMAYTTYYAN-AWEZNQCLSA-N 1 1 275.323 3.349 20 30 CGEDMO C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@H](C)CCC)C2)C1 ZINC001323804118 934427717 /nfs/dbraw/zinc/42/77/17/934427717.db2.gz RWPFWHOUTCKSCB-AEFFLSMTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCCC(C)C)C2)C1 ZINC001323813055 934428133 /nfs/dbraw/zinc/42/81/33/934428133.db2.gz NOOXTHZEBBKZMU-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC(C)(C)CC(=O)N(C)C1C[NH+](CC2=CCCCC2)C1 ZINC001323930782 934439004 /nfs/dbraw/zinc/43/90/04/934439004.db2.gz HXNOEWDPCWFBQW-UHFFFAOYSA-N 1 1 290.451 3.232 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)[C@H]2CC[C@H](SC)C2)cc1 ZINC001324358294 934490395 /nfs/dbraw/zinc/49/03/95/934490395.db2.gz JGIPQCGJAXDWCH-HOTGVXAUSA-N 1 1 259.418 3.384 20 30 CGEDMO C=CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1Br ZINC001324395866 934496649 /nfs/dbraw/zinc/49/66/49/934496649.db2.gz PAUBHTDCHLUZOB-UHFFFAOYSA-N 1 1 299.168 3.365 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Br ZINC001324395866 934496654 /nfs/dbraw/zinc/49/66/54/934496654.db2.gz PAUBHTDCHLUZOB-UHFFFAOYSA-N 1 1 299.168 3.365 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCCF)C2 ZINC001324557174 934524028 /nfs/dbraw/zinc/52/40/28/934524028.db2.gz PIWKZSVVRVOKKS-QGZVFWFLSA-N 1 1 296.430 3.017 20 30 CGEDMO CCCCCCCCC[N@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC001473153609 937794898 /nfs/dbraw/zinc/79/48/98/937794898.db2.gz FDMZQTSRFYKMSU-MRXNPFEDSA-N 1 1 280.456 3.480 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@H](O)CC1(O)CCCCC1 ZINC001473179856 937795852 /nfs/dbraw/zinc/79/58/52/937795852.db2.gz UEGNHYHDMMAIRY-MRXNPFEDSA-N 1 1 283.456 3.111 20 30 CGEDMO C[C@H]1COc2ccccc2C[N@H+]1CCc1ccc(C#N)cc1 ZINC001473373267 937804052 /nfs/dbraw/zinc/80/40/52/937804052.db2.gz RXCBZRDXBRFEMJ-HNNXBMFYSA-N 1 1 292.382 3.384 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1C[C@H]1Cc2cc(OC)ccc2O1 ZINC001473434346 937806755 /nfs/dbraw/zinc/80/67/55/937806755.db2.gz VDCTWLBLVGXGLR-GOEBONIOSA-N 1 1 273.376 3.039 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](CCCOc2cc(C)cc(C)c2)C1 ZINC001325228581 934897465 /nfs/dbraw/zinc/89/74/65/934897465.db2.gz QBZJOSVTNNFURC-KRWDZBQOSA-N 1 1 289.419 3.349 20 30 CGEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC(CC)CC)C2 ZINC001325628289 934921364 /nfs/dbraw/zinc/92/13/64/934921364.db2.gz BJAMDGVGDXMMEH-BJWYYQGGSA-N 1 1 292.467 3.358 20 30 CGEDMO C#CC[N@H+](CC1CC1)[C@@H](C)c1nnc(-c2cccs2)o1 ZINC001325994481 934942688 /nfs/dbraw/zinc/94/26/88/934942688.db2.gz JJPZGJBHKKMUID-NSHDSACASA-N 1 1 287.388 3.204 20 30 CGEDMO C#CC[N@@H+](CC1CC1)[C@@H](C)c1nnc(-c2cccs2)o1 ZINC001325994481 934942693 /nfs/dbraw/zinc/94/26/93/934942693.db2.gz JJPZGJBHKKMUID-NSHDSACASA-N 1 1 287.388 3.204 20 30 CGEDMO CC(C)[C@@H]1[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CC1(C)C ZINC001326192264 934957893 /nfs/dbraw/zinc/95/78/93/934957893.db2.gz FRJOFGPUYRPDQM-KRWDZBQOSA-N 1 1 299.418 3.253 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC001326327491 934971260 /nfs/dbraw/zinc/97/12/60/934971260.db2.gz SEKRDZBIKLSWSF-INIZCTEOSA-N 1 1 283.371 3.322 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC)SC)CC1 ZINC001327115386 935030174 /nfs/dbraw/zinc/03/01/74/935030174.db2.gz QRNWJQNXROWQSM-HUUCEWRRSA-N 1 1 298.496 3.065 20 30 CGEDMO C=CCCC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3C[C@@H]3C)cc2C1 ZINC001327695268 935078654 /nfs/dbraw/zinc/07/86/54/935078654.db2.gz GFDGZCNSIMZYEZ-KSSFIOAISA-N 1 1 298.430 3.241 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1CC[N@H+](CCC(C)C)CC1(C)C ZINC001328080564 935115629 /nfs/dbraw/zinc/11/56/29/935115629.db2.gz GTMKKNPSJKVDSZ-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)CC)C(C)(C)C1 ZINC001328100975 935117335 /nfs/dbraw/zinc/11/73/35/935117335.db2.gz CSIRECGRRZLFCD-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C)C(C)(C)C ZINC001328732510 935163884 /nfs/dbraw/zinc/16/38/84/935163884.db2.gz GVVNGPBAWLGQLN-HUUCEWRRSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@H]2C[N@@H+](C)C/C=C\Cl)C1 ZINC001328763955 935167465 /nfs/dbraw/zinc/16/74/65/935167465.db2.gz HEPNHJDKBKTQJL-VSKVDJIOSA-N 1 1 296.842 3.018 20 30 CGEDMO N#CC1(c2ccccc2)CC([NH2+][C@H](CN)C2CCCCC2)C1 ZINC001329025112 935180057 /nfs/dbraw/zinc/18/00/57/935180057.db2.gz YPBXPVCOFHXTAC-JLAWEPINSA-N 1 1 297.446 3.108 20 30 CGEDMO N#CC1(Cc2nc([C@H]([NH3+])c3ccccc3)no2)CCCCC1 ZINC001329342561 935206414 /nfs/dbraw/zinc/20/64/14/935206414.db2.gz AGOCOKORUZWAHP-OAHLLOKOSA-N 1 1 296.374 3.134 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccsc1 ZINC001329515302 935221676 /nfs/dbraw/zinc/22/16/76/935221676.db2.gz MHRLZGLPJZGOPA-ZIAGYGMSSA-N 1 1 294.464 3.287 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)c1ccc(C=C)cc1 ZINC001329561238 935227739 /nfs/dbraw/zinc/22/77/39/935227739.db2.gz QWFRZZJNHBZWTJ-OAHLLOKOSA-N 1 1 286.419 3.346 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCCCC[N@@H+]1C[C@@H](C)CC ZINC001329909038 935253531 /nfs/dbraw/zinc/25/35/31/935253531.db2.gz OQIZGMONLONPQB-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@H](NC(=O)CC2CC2)C(C)(C)C1 ZINC001330171950 935273132 /nfs/dbraw/zinc/27/31/32/935273132.db2.gz YOLNQGBNJMQNEA-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C[C@@H](C)CC(C)C)C(C)(C)C1 ZINC001330243470 935280361 /nfs/dbraw/zinc/28/03/61/935280361.db2.gz GMBICQQQSALKTO-HOTGVXAUSA-N 1 1 294.483 3.461 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3CC[C@H]4OCCC[C@@H]4C3)cc2)CC1 ZINC001330235767 935280373 /nfs/dbraw/zinc/28/03/73/935280373.db2.gz AXBPMLHSKMTLNN-SJLPKXTDSA-N 1 1 296.414 3.243 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC(C)C)C[C@H]2C1 ZINC001330447237 935288490 /nfs/dbraw/zinc/28/84/90/935288490.db2.gz SADSNXNEQASNOQ-SOUVJXGZSA-N 1 1 298.858 3.002 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)C2CCC(=C)CC2)CC1 ZINC001331039174 935345134 /nfs/dbraw/zinc/34/51/34/935345134.db2.gz OUEPIAQPRZWSAN-UHFFFAOYSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccccc2OCC(F)F)C1 ZINC001331993443 935432009 /nfs/dbraw/zinc/43/20/09/935432009.db2.gz KAYOIMITZKOMQP-CQSZACIVSA-N 1 1 297.345 3.107 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CCC[N@H+](CC(C)C)[C@@H]2C)CCC1 ZINC001332199659 935449065 /nfs/dbraw/zinc/44/90/65/935449065.db2.gz QYQNPSSCHZVNIO-HZPDHXFCSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)CCN(C(=O)/C(C)=C\C)C(C)C ZINC001332698096 935483358 /nfs/dbraw/zinc/48/33/58/935483358.db2.gz FMOHWZCGQXTGBZ-TYWAAFNRSA-N 1 1 280.456 3.476 20 30 CGEDMO C#CCCCCCN1CC[NH+](CCCOC(C)(C)C)CC1 ZINC001333084984 935509230 /nfs/dbraw/zinc/50/92/30/935509230.db2.gz OSHANTCDEVIYSG-UHFFFAOYSA-N 1 1 294.483 3.003 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](C2CC(OCc3ccccc3)C2)C1 ZINC001333307790 935523944 /nfs/dbraw/zinc/52/39/44/935523944.db2.gz JGKYFZPVRAGFTN-LXPRWKDFSA-N 1 1 287.403 3.011 20 30 CGEDMO CC(C)c1cc([C@@H]2CCCN(C[C@@H](C#N)CCC#N)C2)[nH]n1 ZINC001333487485 935540671 /nfs/dbraw/zinc/54/06/71/935540671.db2.gz IANOSOHEIKPEOZ-HUUCEWRRSA-N 1 1 299.422 3.156 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cccc(OC)c2Cl)C1 ZINC001333588388 935549950 /nfs/dbraw/zinc/54/99/50/935549950.db2.gz XAHSHENJVJSLGR-ZDUSSCGKSA-N 1 1 281.783 3.126 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)CCO1 ZINC001333914372 936076017 /nfs/dbraw/zinc/07/60/17/936076017.db2.gz WGFMUYUBVVRKLG-HNNXBMFYSA-N 1 1 264.413 3.207 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2nc3c(s2)C[C@H](C)CC3)C1 ZINC001335329668 936139722 /nfs/dbraw/zinc/13/97/22/936139722.db2.gz LZSFMRXNGHALOL-CHWSQXEVSA-N 1 1 274.433 3.113 20 30 CGEDMO C#CC[N@@H+](Cc1coc(-c2cccs2)n1)CC1CC1 ZINC001335592125 936154629 /nfs/dbraw/zinc/15/46/29/936154629.db2.gz ZQRAFKHNKKOARU-UHFFFAOYSA-N 1 1 272.373 3.248 20 30 CGEDMO C#CC[N@H+](Cc1coc(-c2cccs2)n1)CC1CC1 ZINC001335592125 936154632 /nfs/dbraw/zinc/15/46/32/936154632.db2.gz ZQRAFKHNKKOARU-UHFFFAOYSA-N 1 1 272.373 3.248 20 30 CGEDMO C#CC[N@@H+](Cc1cnc(CC(F)(F)F)s1)CC1CC1 ZINC001336699083 936207833 /nfs/dbraw/zinc/20/78/33/936207833.db2.gz XMLGBWJBZSUUPP-UHFFFAOYSA-N 1 1 288.338 3.093 20 30 CGEDMO C#CC[N@H+](Cc1cnc(CC(F)(F)F)s1)CC1CC1 ZINC001336699083 936207837 /nfs/dbraw/zinc/20/78/37/936207837.db2.gz XMLGBWJBZSUUPP-UHFFFAOYSA-N 1 1 288.338 3.093 20 30 CGEDMO C=C(C)CCC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC001336925052 936227829 /nfs/dbraw/zinc/22/78/29/936227829.db2.gz IPAQEDDSZXNPNX-UHFFFAOYSA-N 1 1 266.429 3.114 20 30 CGEDMO C=CCC[C@H]1CCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001337550366 936268809 /nfs/dbraw/zinc/26/88/09/936268809.db2.gz JGUBCTGDINEDTH-GJZGRUSLSA-N 1 1 289.423 3.354 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2cccc3cnccc32)C1 ZINC001337727741 936284326 /nfs/dbraw/zinc/28/43/26/936284326.db2.gz GKQKPLQWLIJOAN-MRXNPFEDSA-N 1 1 268.360 3.012 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](CC(C)C)C(=O)OCC ZINC001473861786 937825680 /nfs/dbraw/zinc/82/56/80/937825680.db2.gz LDEPVXRBZGWVCO-CQSZACIVSA-N 1 1 255.402 3.252 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1CCc1cccc2c1OC(F)(F)O2 ZINC001473865335 937825918 /nfs/dbraw/zinc/82/59/18/937825918.db2.gz PMKPGMSGOBXAHK-LBPRGKRZSA-N 1 1 281.302 3.201 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001473865837 937825996 /nfs/dbraw/zinc/82/59/96/937825996.db2.gz YUGHGKWTRDWGNI-UONOGXRCSA-N 1 1 280.412 3.036 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1cc(=O)oc2cc(O)c(CC)cc12 ZINC001473865361 937826182 /nfs/dbraw/zinc/82/61/82/937826182.db2.gz PXOKMNZYUHDBOS-AWEZNQCLSA-N 1 1 299.370 3.211 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](N2CCCC2)C[C@H]1C(C)C ZINC001473877620 937826715 /nfs/dbraw/zinc/82/67/15/937826715.db2.gz WCBHEWLSLLSKFE-HOTGVXAUSA-N 1 1 250.430 3.147 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC[C@@H](N(C)c3ccccc3)C2)cc1 ZINC001474644904 937872839 /nfs/dbraw/zinc/87/28/39/937872839.db2.gz FHWGLYMYZNNERY-HXUWFJFHSA-N 1 1 290.410 3.379 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCNC(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC001479805872 937926315 /nfs/dbraw/zinc/92/63/15/937926315.db2.gz MOQOOAKWJAPEOR-CABCVRRESA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCNC(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC001479805872 937926316 /nfs/dbraw/zinc/92/63/16/937926316.db2.gz MOQOOAKWJAPEOR-CABCVRRESA-N 1 1 298.858 3.003 20 30 CGEDMO C=CC[N@@H+](C)CCCNC(=O)c1cccc(C2CCC2)c1 ZINC001479809249 937926342 /nfs/dbraw/zinc/92/63/42/937926342.db2.gz VKJRSWBTGWLXCS-UHFFFAOYSA-N 1 1 286.419 3.192 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](CC/C=C/CCC)C1 ZINC001479960415 937929908 /nfs/dbraw/zinc/92/99/08/937929908.db2.gz KDKLPYWPMKBQRW-HVHJFMEUSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@H+](CC(=C)C)C2)CCCCC1 ZINC001479971921 937930371 /nfs/dbraw/zinc/93/03/71/937930371.db2.gz KJGIPMMFXGAKBP-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1 ZINC001480716663 937942397 /nfs/dbraw/zinc/94/23/97/937942397.db2.gz NDSYWNJPJSPDMV-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)/C=C(\C)C2CC2)C1 ZINC001480719926 937942852 /nfs/dbraw/zinc/94/28/52/937942852.db2.gz LTULXIHFQQDGDP-OKACTXMXSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CC=C)c1ccccc1 ZINC001493159048 937948069 /nfs/dbraw/zinc/94/80/69/937948069.db2.gz AKFNAMMPZLYXIO-ZWKOTPCHSA-N 1 1 298.430 3.113 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001493291006 937949254 /nfs/dbraw/zinc/94/92/54/937949254.db2.gz MQTWVNMWRJNULY-JKSUJKDBSA-N 1 1 294.483 3.463 20 30 CGEDMO CC#CC[N@H+](CCC)CCNC(=O)[C@@H]1CCC[C@H]1CCC ZINC001493300747 937949256 /nfs/dbraw/zinc/94/92/56/937949256.db2.gz RXPHMHMKSGTSFT-IAGOWNOFSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)/C=C(/C)CC)C1 ZINC001494134424 937953378 /nfs/dbraw/zinc/95/33/78/937953378.db2.gz ZBCKZIPZGZGYIT-IRVMHKCDSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](CCNC(=O)C2(C)CCC(C)CC2)C1 ZINC001494083314 937953506 /nfs/dbraw/zinc/95/35/06/937953506.db2.gz OOIHRWHCIQJRCI-UPTPFMHGSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@](C)(C=C)CC)C1 ZINC001494161764 937953577 /nfs/dbraw/zinc/95/35/77/937953577.db2.gz VCIOGEAYOHDBHO-FUHWJXTLSA-N 1 1 292.467 3.335 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC12CC2 ZINC001494675070 937955566 /nfs/dbraw/zinc/95/55/66/937955566.db2.gz WZCPUBQQXSFPQX-JYJNAYRXSA-N 1 1 290.451 3.042 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2F)C1 ZINC001494695318 937955672 /nfs/dbraw/zinc/95/56/72/937955672.db2.gz YITAHRGYZPYAPH-KGLIPLIRSA-N 1 1 290.382 3.043 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CCC)C(C)C ZINC001494674320 937955745 /nfs/dbraw/zinc/95/57/45/937955745.db2.gz FSGNQNLTZHTTGL-ULQDDVLXSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)[C@H]1CCC[C@@H]1CCC ZINC001496734469 937963899 /nfs/dbraw/zinc/96/38/99/937963899.db2.gz SRPLPEXJFXEXLG-HOTGVXAUSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)/C=C(/C)CC)CC[C@H]21 ZINC001496859412 937964533 /nfs/dbraw/zinc/96/45/33/937964533.db2.gz QXCCSRCJGPMLTF-FBCVODPVSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC001498238077 937968648 /nfs/dbraw/zinc/96/86/48/937968648.db2.gz DRWZFBKUADTQAZ-CYBMUJFWSA-N 1 1 294.826 3.243 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)c1cscc1C ZINC001498257592 937968679 /nfs/dbraw/zinc/96/86/79/937968679.db2.gz XDMNCNTXNPGHEP-ZIAGYGMSSA-N 1 1 294.464 3.461 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)CC1(C)CCCCC1 ZINC001498335515 937969348 /nfs/dbraw/zinc/96/93/48/937969348.db2.gz DWRXJJBLXXPUEV-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc(F)s1 ZINC001498466680 937969777 /nfs/dbraw/zinc/96/97/77/937969777.db2.gz WDXPSGXFOJWKQF-VXGBXAGGSA-N 1 1 298.427 3.292 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001498955163 937971636 /nfs/dbraw/zinc/97/16/36/937971636.db2.gz LHMSBHFCCXVANL-NCOADZHNSA-N 1 1 292.467 3.193 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC12CCC2 ZINC001499073175 937972476 /nfs/dbraw/zinc/97/24/76/937972476.db2.gz VJQTVGKUWQSHTG-HZPDHXFCSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCCCC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCCC)C2 ZINC001499573426 937973895 /nfs/dbraw/zinc/97/38/95/937973895.db2.gz DQJPUESNTADAPS-SFHVURJKSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCCCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC001499574346 937973993 /nfs/dbraw/zinc/97/39/93/937973993.db2.gz REXGPSFGUYWXSY-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCCCC(=O)N1CCCC[C@]2(CC[N@H+](CCC)C2)C1 ZINC001500163236 937976090 /nfs/dbraw/zinc/97/60/90/937976090.db2.gz UGLQSWFWHVPCQJ-GOSISDBHSA-N 1 1 292.467 3.457 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)C=C(CC)CC)C1 ZINC001500203689 937976485 /nfs/dbraw/zinc/97/64/85/937976485.db2.gz HDCVZRCSIJFASN-OAHLLOKOSA-N 1 1 284.831 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)C=C(CC)CC)C1 ZINC001500203689 937976486 /nfs/dbraw/zinc/97/64/86/937976486.db2.gz HDCVZRCSIJFASN-OAHLLOKOSA-N 1 1 284.831 3.066 20 30 CGEDMO C=CCCCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001501170544 937979099 /nfs/dbraw/zinc/97/90/99/937979099.db2.gz YLOOROBNNJPLDU-BJWYYQGGSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CCC[N@H+](C[C@H](F)CC)CC1 ZINC001502135017 937981152 /nfs/dbraw/zinc/98/11/52/937981152.db2.gz FPBXCWPXODXNFM-HUUCEWRRSA-N 1 1 284.419 3.062 20 30 CGEDMO C=CCCC(=O)N1CCC[C@]2(CC[N@H+](C[C@@H](F)CC)C2)C1 ZINC001502541392 937982579 /nfs/dbraw/zinc/98/25/79/937982579.db2.gz NUXPYNRCDZREDW-DOTOQJQBSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC(C)=C(C)C)C2 ZINC001502543484 937982684 /nfs/dbraw/zinc/98/26/84/937982684.db2.gz HBMZSUHZLCUHFE-SFHVURJKSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)CCC)C2 ZINC001502546205 937982692 /nfs/dbraw/zinc/98/26/92/937982692.db2.gz PUMWCSOBNMFRHW-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CC1CCCCC1 ZINC001505419626 937985066 /nfs/dbraw/zinc/98/50/66/937985066.db2.gz RRLGZYUZEAYGIK-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)C/C=C\Cl ZINC001505441744 937985578 /nfs/dbraw/zinc/98/55/78/937985578.db2.gz JSOWATPKCJXMDW-IUCKJTJTSA-N 1 1 298.858 3.264 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)C=C ZINC001505441973 937985612 /nfs/dbraw/zinc/98/56/12/937985612.db2.gz NMJHWVGKHOCJCL-JKSUJKDBSA-N 1 1 292.467 3.476 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H](C)[N@@H+](C)CC1CCCCC1 ZINC001505928841 937987986 /nfs/dbraw/zinc/98/79/86/937987986.db2.gz OSWAOTYOAXKYPJ-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@@]1(C)CC=CCC1 ZINC001505925434 937988152 /nfs/dbraw/zinc/98/81/52/937988152.db2.gz WMGZBPGTRIAGIO-WBVHZDCISA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC1(CC(=O)NC[C@@H](C)[N@H+](C)CCC)CCCCC1 ZINC001506020197 937988534 /nfs/dbraw/zinc/98/85/34/937988534.db2.gz XZIULYAYOHBUMG-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC12CC2 ZINC001506576289 937990938 /nfs/dbraw/zinc/99/09/38/937990938.db2.gz RUQSHZUMNNORKR-HOTGVXAUSA-N 1 1 290.451 3.114 20 30 CGEDMO CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)C[C@@H](C)CCC ZINC001506567052 937990991 /nfs/dbraw/zinc/99/09/91/937990991.db2.gz XKIOUMLKMPTZRR-IRXDYDNUSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)C(C)(C)CC)C(C)(C)C1 ZINC001506746758 937991623 /nfs/dbraw/zinc/99/16/23/937991623.db2.gz AXYVQOVISDUKFH-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1C[N@H+](CC(CC)CC)CC1(C)C ZINC001506743415 937991828 /nfs/dbraw/zinc/99/18/28/937991828.db2.gz HIXKOPRNXKCQDG-HNNXBMFYSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)C(C)C)C[C@@H]2C1 ZINC001506852116 937991877 /nfs/dbraw/zinc/99/18/77/937991877.db2.gz AXMKZIWLKGCPST-ARFHVFGLSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)CCC(=O)N[C@]12CCC[C@@H]1[N@@H+](CC[C@H](C)F)CC2 ZINC001507347648 937995289 /nfs/dbraw/zinc/99/52/89/937995289.db2.gz ZTBQXKKMCFZGRA-ZOBUZTSGSA-N 1 1 296.430 3.204 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)CC3(C)CC3)CCC[C@H]12 ZINC001507358910 937995400 /nfs/dbraw/zinc/99/54/00/937995400.db2.gz UGTYNEKFEFBTPN-YJBOKZPZSA-N 1 1 290.451 3.256 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)C1CCC(=C)CC1)C(C)C ZINC001507832032 937997267 /nfs/dbraw/zinc/99/72/67/937997267.db2.gz ZFEFORKFPAMPGY-UHFFFAOYSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)[C@H]2CC2(C)C)CC1 ZINC001508198206 937998382 /nfs/dbraw/zinc/99/83/82/937998382.db2.gz BLASRSDCZVXZHI-GOEBONIOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CNC(=O)/C=C(/C)CC)CC1 ZINC001508201409 937998415 /nfs/dbraw/zinc/99/84/15/937998415.db2.gz ITSHISYQYDQSRM-SQFISAMPSA-N 1 1 276.424 3.057 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)CCCC)CC1 ZINC001508194663 937998540 /nfs/dbraw/zinc/99/85/40/937998540.db2.gz PBXCCQZVEDXQSD-OAHLLOKOSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)[C@H](F)C(C)C)CC1 ZINC001508215855 937998759 /nfs/dbraw/zinc/99/87/59/937998759.db2.gz XDZVGCICQHSTKF-GDBMZVCRSA-N 1 1 296.430 3.084 20 30 CGEDMO C=CCCCC(=O)NCC1=CC[N@@H+](CCC(=C)C)CC1 ZINC001508211211 937998770 /nfs/dbraw/zinc/99/87/70/937998770.db2.gz IKGVTIVASBZAOD-UHFFFAOYSA-N 1 1 276.424 3.057 20 30 CGEDMO C=C1CCC(C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC001525394785 938048847 /nfs/dbraw/zinc/04/88/47/938048847.db2.gz KCKTZUINVBEYSH-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO CC[N@H+]1CC[C@H](N(C)c2cc(C)cc(F)c2C#N)[C@@H](C)C1 ZINC001559113742 938220508 /nfs/dbraw/zinc/22/05/08/938220508.db2.gz VPSSFDGYIXAHAK-BBRMVZONSA-N 1 1 289.398 3.172 20 30 CGEDMO C=CC[C@@H](C(=O)OC)[N@H+](CC)Cc1cccc(Cl)c1 ZINC001559485609 938227268 /nfs/dbraw/zinc/22/72/68/938227268.db2.gz MBATUZRDCNAVNG-AWEZNQCLSA-N 1 1 281.783 3.280 20 30 CGEDMO C=CC[C@@H](C(=O)OC)[N@@H+](CC)Cc1cccc(Cl)c1 ZINC001559485609 938227269 /nfs/dbraw/zinc/22/72/69/938227269.db2.gz MBATUZRDCNAVNG-AWEZNQCLSA-N 1 1 281.783 3.280 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CCCN(c2ccccc2)CC1 ZINC001559492368 938227584 /nfs/dbraw/zinc/22/75/84/938227584.db2.gz NOYFDXSCDZVMJP-INIZCTEOSA-N 1 1 256.393 3.001 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001559797520 938235979 /nfs/dbraw/zinc/23/59/79/938235979.db2.gz SKFIHKNPWIHGKR-OSAQELSMSA-N 1 1 297.320 3.122 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCC[C@H]1COC(=O)N(C)C ZINC001559817988 938236628 /nfs/dbraw/zinc/23/66/28/938236628.db2.gz BUJCWSBSXIAORU-HNNXBMFYSA-N 1 1 282.428 3.286 20 30 CGEDMO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@](C)(c2ccccc2)CC1 ZINC001559831438 938236793 /nfs/dbraw/zinc/23/67/93/938236793.db2.gz SQSZOZBLLFCNOS-FUHWJXTLSA-N 1 1 287.403 3.158 20 30 CGEDMO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@](C)(c2ccccc2)CC1 ZINC001559831438 938236794 /nfs/dbraw/zinc/23/67/94/938236794.db2.gz SQSZOZBLLFCNOS-FUHWJXTLSA-N 1 1 287.403 3.158 20 30 CGEDMO CC[N@@H+](CCOc1ccccc1C#N)C1CC(C)(C)C1 ZINC001559905193 938238397 /nfs/dbraw/zinc/23/83/97/938238397.db2.gz VUHJGVNMSSCWCN-UHFFFAOYSA-N 1 1 272.392 3.448 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](CC)CCOc1ccccc1C ZINC001559926874 938238966 /nfs/dbraw/zinc/23/89/66/938238966.db2.gz BRFQXCUXOYLYHO-MRXNPFEDSA-N 1 1 277.408 3.023 20 30 CGEDMO CC[N@@H+]1[C@H](C)CN(Cc2c(C)cc(C#N)cc2C)C[C@@H]1C ZINC001559956545 938240104 /nfs/dbraw/zinc/24/01/04/938240104.db2.gz YWBKELGCLRQQLF-IYBDPMFKSA-N 1 1 285.435 3.090 20 30 CGEDMO CCN1[C@H](C)C[N@@H+](Cc2c(C)cc(C#N)cc2C)C[C@@H]1C ZINC001559956545 938240105 /nfs/dbraw/zinc/24/01/05/938240105.db2.gz YWBKELGCLRQQLF-IYBDPMFKSA-N 1 1 285.435 3.090 20 30 CGEDMO CCN1[C@H](C)C[N@H+](Cc2c(C)cc(C#N)cc2C)C[C@@H]1C ZINC001559956545 938240106 /nfs/dbraw/zinc/24/01/06/938240106.db2.gz YWBKELGCLRQQLF-IYBDPMFKSA-N 1 1 285.435 3.090 20 30 CGEDMO Cc1ncsc1CCC[N@H+]1CCC[C@H](CC#N)C1 ZINC001559991607 938241141 /nfs/dbraw/zinc/24/11/41/938241141.db2.gz ASCNXTOXOOMWDG-CYBMUJFWSA-N 1 1 263.410 3.010 20 30 CGEDMO CCCCCCCCCC[N@H+]1CC[C@@H](c2nn[nH]n2)C1 ZINC001560101807 938244102 /nfs/dbraw/zinc/24/41/02/938244102.db2.gz VWXRSFXBHKOOPB-CQSZACIVSA-N 1 1 279.432 3.130 20 30 CGEDMO C#CC[N@@H+](CC#Cc1cccc(Cl)c1)C(C)(C)C ZINC001560156753 938245628 /nfs/dbraw/zinc/24/56/28/938245628.db2.gz XKGBKZRXRGXUFW-UHFFFAOYSA-N 1 1 259.780 3.425 20 30 CGEDMO CCc1ccc2c(c1)CC[N@H+](C[C@@H](O)CC1(C#N)CCC1)C2 ZINC001560238397 938248636 /nfs/dbraw/zinc/24/86/36/938248636.db2.gz NKHBPEXJTOMAJA-SFHVURJKSA-N 1 1 298.430 3.052 20 30 CGEDMO C#CC[N@H+](C[C@H](OC)[C@H](C)CC)C1CCCCC1 ZINC001560657525 938268465 /nfs/dbraw/zinc/26/84/65/938268465.db2.gz PXKMBIFUZADCIG-ZBFHGGJFSA-N 1 1 251.414 3.315 20 30 CGEDMO C=CC[C@H]1CCCC[C@@H]1NC(=O)NCC[N@H+](CC)C(C)C ZINC001563901027 938305773 /nfs/dbraw/zinc/30/57/73/938305773.db2.gz AFVFFRXRIZPLJF-HOTGVXAUSA-N 1 1 295.471 3.151 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H](C)C[N@H+](C)CC/C=C/CC)C1 ZINC001498374644 957717390 /nfs/dbraw/zinc/71/73/90/957717390.db2.gz AADUCCYNCKKPCC-KIUWMYQTSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H](C)CCC)C1 ZINC001494809072 957853755 /nfs/dbraw/zinc/85/37/55/957853755.db2.gz USRMGAXVXLUUML-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](C)CCC)C1 ZINC001566734809 960571725 /nfs/dbraw/zinc/57/17/25/960571725.db2.gz ALTCACXZIJOIHD-HZPDHXFCSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)C[C@@H](C)C2CC2)C1 ZINC001566746334 960577155 /nfs/dbraw/zinc/57/71/55/960577155.db2.gz GDJBNLZRMHMJTC-HZPDHXFCSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H](C)CC ZINC001567243953 960582344 /nfs/dbraw/zinc/58/23/44/960582344.db2.gz BTHBZVXPRBGOLY-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N(C)[C@@H]1CC[N@H+](CCCCC)C1 ZINC001567920243 960602920 /nfs/dbraw/zinc/60/29/20/960602920.db2.gz ABBKEMHNGAPEIX-WBVHZDCISA-N 1 1 280.456 3.312 20 30 CGEDMO CCCCCCCCNC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC001564373226 960639039 /nfs/dbraw/zinc/63/90/39/960639039.db2.gz QJEJYSRAQLPCCC-HNNXBMFYSA-N 1 1 283.460 3.083 20 30 CGEDMO C=CC(C)(C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC/C=C/CC ZINC001565822563 960820186 /nfs/dbraw/zinc/82/01/86/960820186.db2.gz IMDPDWQNRNMKPG-HVHJFMEUSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)C(C)(C)C ZINC001565819411 960832057 /nfs/dbraw/zinc/83/20/57/960832057.db2.gz FXNPUJRRRFRQSD-GJZGRUSLSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@H+](CC(C)C)CC(C)(C)C1 ZINC001566127846 960891321 /nfs/dbraw/zinc/89/13/21/960891321.db2.gz IGKAETWANBYMKX-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H](NC(=O)CC2=CCCCC2)C1 ZINC001566616901 960977919 /nfs/dbraw/zinc/97/79/19/960977919.db2.gz QBMARDWSTWZCFE-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H](F)CC2CCCCC2)C1 ZINC001566678797 960987476 /nfs/dbraw/zinc/98/74/76/960987476.db2.gz FVIPJUHTFMSPQG-HZPDHXFCSA-N 1 1 296.430 3.062 20 30 CGEDMO CCCCC[N@@H+](C)C[C@H]1CCCN(C(=O)C#CC(C)C)C1 ZINC001566736227 960995578 /nfs/dbraw/zinc/99/55/78/960995578.db2.gz RNMZOYBNQYLOSU-QGZVFWFLSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)CC ZINC001566751697 961005365 /nfs/dbraw/zinc/00/53/65/961005365.db2.gz XDNBNIFREXKQAX-VQHPVUNQSA-N 1 1 292.467 3.453 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@H]2CCC[N@H+](CCCCC)C2)C1 ZINC001566877560 961035991 /nfs/dbraw/zinc/03/59/91/961035991.db2.gz AGKFMPMIKFFLTQ-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](CNC(=O)C/C=C(\C)C=C)C1 ZINC001566876709 961041107 /nfs/dbraw/zinc/04/11/07/961041107.db2.gz JUSHPNHDQZEZMS-BRVCPTFNSA-N 1 1 290.451 3.303 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C)C(C)C ZINC001566927126 961056120 /nfs/dbraw/zinc/05/61/20/961056120.db2.gz KUNCLMQCXCVVBK-CVEARBPZSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CCCCCC(=O)NC[C@H]1CCCC[N@@H+]1C[C@H](C)CC ZINC001566919716 961061930 /nfs/dbraw/zinc/06/19/30/961061930.db2.gz FQCWOCPEHNWBHF-IAGOWNOFSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)CCCC ZINC001566971836 961081706 /nfs/dbraw/zinc/08/17/06/961081706.db2.gz NGRDHZRLHNWFEO-MTSZKFMLSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC2(C)C)C1 ZINC001567196777 961141066 /nfs/dbraw/zinc/14/10/66/961141066.db2.gz QFURQWVQJRSZHQ-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C)C(C)C)C1 ZINC001567200257 961143559 /nfs/dbraw/zinc/14/35/59/961143559.db2.gz UEGGLTUQVZUQRQ-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1cc(C)cs1 ZINC001567249220 961158314 /nfs/dbraw/zinc/15/83/14/961158314.db2.gz FDKYBWKCWDTDRO-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCNC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C ZINC001567291006 961269595 /nfs/dbraw/zinc/26/95/95/961269595.db2.gz BIXGSFDNHUHSLY-HOTGVXAUSA-N 1 1 292.467 3.239 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)C1(C)CCC(C)CC1 ZINC001567354090 961295182 /nfs/dbraw/zinc/29/51/82/961295182.db2.gz QJGRVIFAEFBFTE-UHFFFAOYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](CCNC(=O)c2ccoc2C(C)C)C1 ZINC001567715469 961417664 /nfs/dbraw/zinc/41/76/64/961417664.db2.gz KHQXIFPQMRFMTQ-CQSZACIVSA-N 1 1 290.407 3.031 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)/C=C/C(C)(C)C)C1 ZINC001567761496 961429865 /nfs/dbraw/zinc/42/98/65/961429865.db2.gz YXQPQSYPVHDWCS-AUECHBEKSA-N 1 1 278.440 3.136 20 30 CGEDMO C#CCCCCC(=O)N[C@H]1CCC[N@H+](CC/C=C/CC)C1 ZINC001567773555 961429995 /nfs/dbraw/zinc/42/99/95/961429995.db2.gz JJWOXXUXJRDJBQ-JKNJVXJCSA-N 1 1 290.451 3.117 20 30 CGEDMO C#CCCCCCC(=O)NC1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC001567802126 961430922 /nfs/dbraw/zinc/43/09/22/961430922.db2.gz GIYUXQHSQBPJBB-INIZCTEOSA-N 1 1 298.430 3.132 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)C2(F)CCCCC2)C1 ZINC001567811115 961432907 /nfs/dbraw/zinc/43/29/07/961432907.db2.gz BBRMMDSFBGRICK-UHFFFAOYSA-N 1 1 298.446 3.430 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@](C)(F)CCCC)C1 ZINC001567892242 961455732 /nfs/dbraw/zinc/45/57/32/961455732.db2.gz AVMSQDKSXYQIMC-GDBMZVCRSA-N 1 1 284.419 3.062 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2C)C1 ZINC001567890419 961457898 /nfs/dbraw/zinc/45/78/98/961457898.db2.gz PZTXNINFSYFRED-DLBZAZTESA-N 1 1 298.430 3.050 20 30 CGEDMO C=C/C(C)=C\CC(=O)N(CC)[C@@H]1CC[N@@H+](CCC(=C)C)C1 ZINC001567940517 961469973 /nfs/dbraw/zinc/46/99/73/961469973.db2.gz HKSGSGWQCBOXQW-QOTSWMAJSA-N 1 1 290.451 3.398 20 30 CGEDMO CC(C)C#CC(=O)N(C)CC[N@@H+](C)CCCC1CCCC1 ZINC001568480657 961594502 /nfs/dbraw/zinc/59/45/02/961594502.db2.gz OLMOBKBSQFBBSB-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@H](C)NC(=O)C1(C)CC(=C)C1 ZINC001569137657 961698514 /nfs/dbraw/zinc/69/85/14/961698514.db2.gz GKAMKELAUNHKSB-GJZGRUSLSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)[C@@]1(C)CC=C(C)CC1 ZINC001569151685 961710465 /nfs/dbraw/zinc/71/04/65/961710465.db2.gz MZUMQLSORXWYHN-RDJZCZTQSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C)cc1 ZINC001569381175 961755123 /nfs/dbraw/zinc/75/51/23/961755123.db2.gz JZCWKJMKJFHUFQ-DOTOQJQBSA-N 1 1 286.419 3.154 20 30 CGEDMO C=CC(C)(C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(=C)C ZINC001569459760 961765407 /nfs/dbraw/zinc/76/54/07/961765407.db2.gz QNRQKMIIUPXNIW-IYBDPMFKSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC(=C)Cl)C2 ZINC001569463890 961777178 /nfs/dbraw/zinc/77/71/78/961777178.db2.gz CSIBABWOOARYNV-INIZCTEOSA-N 1 1 296.842 3.020 20 30 CGEDMO C=CCCC(=O)N1CC[C@@]2(C1)CCC[N@H+](CC(=C)Cl)C2 ZINC001569463890 961777187 /nfs/dbraw/zinc/77/71/87/961777187.db2.gz CSIBABWOOARYNV-INIZCTEOSA-N 1 1 296.842 3.020 20 30 CGEDMO C=CCCCC(=O)N1CC[C@@]2(C1)CCC[N@H+](CC(C)C)C2 ZINC001569467395 961779063 /nfs/dbraw/zinc/77/90/63/961779063.db2.gz NPAPSAFHYRNJKU-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C#CCCCC(=O)N[C@]1(C)CC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC001569638303 961807496 /nfs/dbraw/zinc/80/74/96/961807496.db2.gz XWLLCFWMCWHGNF-FUHWJXTLSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CCCCC(=O)N[C@@]1(C)CC[N@H+](C[C@H](C)CC(C)C)C1 ZINC001569638302 961812772 /nfs/dbraw/zinc/81/27/72/961812772.db2.gz XWLLCFWMCWHGNF-AEFFLSMTSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H](C)C(CC)CC)C1 ZINC001569643332 961813117 /nfs/dbraw/zinc/81/31/17/961813117.db2.gz WQGBEDUHKCWKMU-YOEHRIQHSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001569651603 961813242 /nfs/dbraw/zinc/81/32/42/961813242.db2.gz SWKSPVMVHXYMOI-CRAIPNDOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@]1(C)CCC[N@@H+](CC(=C)C)C1 ZINC001569719205 961830860 /nfs/dbraw/zinc/83/08/60/961830860.db2.gz JRQRZPMCRDEKCR-QZTJIDSGSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)C2(CC)CCC2)C1 ZINC001569721044 961837540 /nfs/dbraw/zinc/83/75/40/961837540.db2.gz YBFCADUAGNWHNV-KRWDZBQOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)CCC(=O)N1C[C@@H]2C[N@@H+](CCCC(C)C)C[C@@H]2C1 ZINC001569875422 961853940 /nfs/dbraw/zinc/85/39/40/961853940.db2.gz DCFPBARGVDMUFT-CALCHBBNSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCCC ZINC001569913245 961867829 /nfs/dbraw/zinc/86/78/29/961867829.db2.gz PJQSKSUUZSVNQJ-JKSUJKDBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCCF ZINC001569909244 961867962 /nfs/dbraw/zinc/86/79/62/961867962.db2.gz BLLAQGNFMMZJPV-LSDHHAIUSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H](C)CCC)C2 ZINC001570271212 961941253 /nfs/dbraw/zinc/94/12/53/961941253.db2.gz DENTUORPHSVMIB-WMZOPIPTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)C1CCC(C)(C)CC1 ZINC001570547122 961995498 /nfs/dbraw/zinc/99/54/98/961995498.db2.gz AQGTWBPNBMUAAY-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC(=O)NC[C@H](C)[N@H+](C)Cc1cccc(CC)c1 ZINC001570700475 962041332 /nfs/dbraw/zinc/04/13/32/962041332.db2.gz QFNJRZSVVOAFAE-HNNXBMFYSA-N 1 1 288.435 3.152 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H](C)[N@@H+](C)CCC(C)(C)C ZINC001570714117 962065220 /nfs/dbraw/zinc/06/52/20/962065220.db2.gz IDTPJPWZVQRSEE-AWEZNQCLSA-N 1 1 268.445 3.215 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)CNC(=O)c1ccc(C)c(C)c1Cl ZINC001570748403 962076178 /nfs/dbraw/zinc/07/61/78/962076178.db2.gz YVLKMFDLWDGQFG-GFCCVEGCSA-N 1 1 294.826 3.193 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)CC(C)C ZINC001570815478 962092208 /nfs/dbraw/zinc/09/22/08/962092208.db2.gz CZLGXWOBHNDIRS-INIZCTEOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H](F)CC)CC1(C)C ZINC001570899145 962105595 /nfs/dbraw/zinc/10/55/95/962105595.db2.gz JNGWXOYIJYYCPE-ZIAGYGMSSA-N 1 1 298.446 3.163 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2C[N@H+](CCCC)CC2(C)C)CCC1 ZINC001570904900 962108520 /nfs/dbraw/zinc/10/85/20/962108520.db2.gz LYCWXGMAYUNUHT-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)C(C)C)C[C@@]2(C)C1 ZINC001571053609 962117563 /nfs/dbraw/zinc/11/75/63/962117563.db2.gz QFDCJLNQSWPJGK-NXHRZFHOSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC(=C)C)C[C@H]2C1 ZINC001571024010 962120625 /nfs/dbraw/zinc/12/06/25/962120625.db2.gz SSOFVMVTRTYMFA-BRWVUGGUSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)[C@@H]2CC23CC3)CC1 ZINC001571334407 962131512 /nfs/dbraw/zinc/13/15/12/962131512.db2.gz XFWYPUCYBKUHFG-ZBFHGGJFSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)C2(CCC)CCC2)CC1 ZINC001571333029 962133427 /nfs/dbraw/zinc/13/34/27/962133427.db2.gz CMCGOBHRLUDYDD-UHFFFAOYSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)/C=C(/C)CC)CC1 ZINC001571330843 962134048 /nfs/dbraw/zinc/13/40/48/962134048.db2.gz YQKIFRUNOIHHFR-BENRWUELSA-N 1 1 284.831 3.018 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)/C(C)=C\CC)C(C)C ZINC001571610461 962186336 /nfs/dbraw/zinc/18/63/36/962186336.db2.gz RDPOBFXMWHZXSO-GDNBJRDFSA-N 1 1 266.429 3.088 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C(=O)C#CC(C)(C)C)C(C)C ZINC001571611499 962190813 /nfs/dbraw/zinc/19/08/13/962190813.db2.gz BHVPDHIYLUWSAJ-UHFFFAOYSA-N 1 1 292.467 3.171 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)C1C[C@H](C)C[C@@H](C)C1)C(C)C ZINC001571617052 962197176 /nfs/dbraw/zinc/19/71/76/962197176.db2.gz SSWMMCLFUAHBSZ-HZPDHXFCSA-N 1 1 294.483 3.414 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)c1ccc(F)s1)C(C)C ZINC001571616806 962197784 /nfs/dbraw/zinc/19/77/84/962197784.db2.gz NIRXITOYWHYHBW-UHFFFAOYSA-N 1 1 298.427 3.246 20 30 CGEDMO CC[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@H]1CCOC1 ZINC000589748114 346810542 /nfs/dbraw/zinc/81/05/42/346810542.db2.gz QDUNTRGUQQJADM-INIZCTEOSA-N 1 1 272.392 3.099 20 30 CGEDMO CC[C@H]1CC[C@H](C)[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000124639027 187146971 /nfs/dbraw/zinc/14/69/71/187146971.db2.gz PSEBUTACNHMMSL-BBRMVZONSA-N 1 1 285.391 3.150 20 30 CGEDMO Cc1cc(C#N)ccc1CN1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000590014785 346821642 /nfs/dbraw/zinc/82/16/42/346821642.db2.gz IOMYHAUQNRQZNJ-HNNXBMFYSA-N 1 1 297.446 3.173 20 30 CGEDMO C[N@H+](Cc1ccc2cnccc2c1)CC(C)(C)C#N ZINC000590373286 346844751 /nfs/dbraw/zinc/84/47/51/346844751.db2.gz RGYDMXGEPGDLFL-UHFFFAOYSA-N 1 1 253.349 3.216 20 30 CGEDMO C[N@@H+](Cc1ccc2cnccc2c1)CC(C)(C)C#N ZINC000590373286 346844756 /nfs/dbraw/zinc/84/47/56/346844756.db2.gz RGYDMXGEPGDLFL-UHFFFAOYSA-N 1 1 253.349 3.216 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cn(-c2cccc(C)c2)nc1C ZINC000651755569 398283065 /nfs/dbraw/zinc/28/30/65/398283065.db2.gz UDGYWZMHYDUZNJ-UHFFFAOYSA-N 1 1 269.392 3.497 20 30 CGEDMO N#CCCC[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000096981639 185145634 /nfs/dbraw/zinc/14/56/34/185145634.db2.gz MLICQDXRTNIZNU-MRXNPFEDSA-N 1 1 251.333 3.064 20 30 CGEDMO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccc3cncn3c2)C1 ZINC000651829279 398295482 /nfs/dbraw/zinc/29/54/82/398295482.db2.gz WRBQJLICQCSGFR-DZGCQCFKSA-N 1 1 255.365 3.169 20 30 CGEDMO C=CCCC(C)(C)NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000622184844 349643254 /nfs/dbraw/zinc/64/32/54/349643254.db2.gz NCCMANMZINNHRK-CQSZACIVSA-N 1 1 266.429 3.112 20 30 CGEDMO C[C@H]([NH2+][C@H]1C[C@@H](C)n2ccnc21)c1ccc(C#N)c(F)c1 ZINC000590779988 346875854 /nfs/dbraw/zinc/87/58/54/346875854.db2.gz VEEHFXABEIEIRU-ZETOZRRWSA-N 1 1 284.338 3.250 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC2(CCC2)CC1 ZINC000590959762 346890913 /nfs/dbraw/zinc/89/09/13/346890913.db2.gz AVRVRBZBTNQWKV-UHFFFAOYSA-N 1 1 285.347 3.233 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000590972621 346892527 /nfs/dbraw/zinc/89/25/27/346892527.db2.gz BMUFPGSWQMBMCR-RBUKOAKNSA-N 1 1 298.430 3.240 20 30 CGEDMO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1cc2n(n1)CCC2 ZINC000591239666 346910841 /nfs/dbraw/zinc/91/08/41/346910841.db2.gz BYRDBDJOCUCMBG-CHWSQXEVSA-N 1 1 280.375 3.113 20 30 CGEDMO CN(Cc1ccc(C(C)(C)C#N)cc1)C[C@@H]1CCC[N@H+]1C ZINC000591479451 346926780 /nfs/dbraw/zinc/92/67/80/346926780.db2.gz CEBRIHMTGRZUNO-KRWDZBQOSA-N 1 1 285.435 3.014 20 30 CGEDMO CN1CCC[C@H]1C[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000591479451 346926783 /nfs/dbraw/zinc/92/67/83/346926783.db2.gz CEBRIHMTGRZUNO-KRWDZBQOSA-N 1 1 285.435 3.014 20 30 CGEDMO CN1CCC[C@H]1C[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000591479451 346926787 /nfs/dbraw/zinc/92/67/87/346926787.db2.gz CEBRIHMTGRZUNO-KRWDZBQOSA-N 1 1 285.435 3.014 20 30 CGEDMO Cc1ccc(C2CC[NH+](Cc3ccncc3C#N)CC2)cn1 ZINC000592100720 346962721 /nfs/dbraw/zinc/96/27/21/346962721.db2.gz MIJBNNWELBGERT-UHFFFAOYSA-N 1 1 292.386 3.036 20 30 CGEDMO N#Cc1cnccc1C[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC000592070037 346960357 /nfs/dbraw/zinc/96/03/57/346960357.db2.gz FAKLGDFIESCTMP-UHFFFAOYSA-N 1 1 295.361 3.299 20 30 CGEDMO N#Cc1cnccc1C[N@H+](CCc1cccc(F)c1)C1CC1 ZINC000592070037 346960359 /nfs/dbraw/zinc/96/03/59/346960359.db2.gz FAKLGDFIESCTMP-UHFFFAOYSA-N 1 1 295.361 3.299 20 30 CGEDMO CC[C@@H]1c2ccccc2CC[N@H+]1Cc1ccncc1C#N ZINC000592070912 346960575 /nfs/dbraw/zinc/96/05/75/346960575.db2.gz UWNBPWPXJGCWRR-GOSISDBHSA-N 1 1 277.371 3.463 20 30 CGEDMO CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccncc1C#N ZINC000592070912 346960579 /nfs/dbraw/zinc/96/05/79/346960579.db2.gz UWNBPWPXJGCWRR-GOSISDBHSA-N 1 1 277.371 3.463 20 30 CGEDMO N#Cc1cnccc1C[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000592081661 346961179 /nfs/dbraw/zinc/96/11/79/346961179.db2.gz BWJHMIRJDBJUJW-SFHVURJKSA-N 1 1 292.386 3.030 20 30 CGEDMO N#Cc1cnccc1C[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000592081661 346961182 /nfs/dbraw/zinc/96/11/82/346961182.db2.gz BWJHMIRJDBJUJW-SFHVURJKSA-N 1 1 292.386 3.030 20 30 CGEDMO N#CC[C@]1(O)CC[N@@H+](CC2CCC(c3ccccc3)CC2)C1 ZINC000592150681 346966885 /nfs/dbraw/zinc/96/68/85/346966885.db2.gz GKBGCFRNDAHDCL-KVZIAJEVSA-N 1 1 298.430 3.311 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000592134847 346966140 /nfs/dbraw/zinc/96/61/40/346966140.db2.gz NNGWMYANCGSOEK-QZTJIDSGSA-N 1 1 284.403 3.258 20 30 CGEDMO N#Cc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2C2CCC2)cc1 ZINC000592198273 346971506 /nfs/dbraw/zinc/97/15/06/346971506.db2.gz NTYJLWVQJPESEV-QGZVFWFLSA-N 1 1 297.402 3.151 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccccc2C#N)CC2(CCCC2)O1 ZINC000592186772 346970324 /nfs/dbraw/zinc/97/03/24/346970324.db2.gz FUYHMORNRSQFND-CQSZACIVSA-N 1 1 270.376 3.092 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC2(CCCC2)O1 ZINC000592186772 346970326 /nfs/dbraw/zinc/97/03/26/346970326.db2.gz FUYHMORNRSQFND-CQSZACIVSA-N 1 1 270.376 3.092 20 30 CGEDMO C[N@@H+](CCC1CCOCC1)Cc1ccc(C#N)cc1Cl ZINC000439444131 529878602 /nfs/dbraw/zinc/87/86/02/529878602.db2.gz BFTVOGDLRZUPBN-UHFFFAOYSA-N 1 1 292.810 3.460 20 30 CGEDMO COCC[N@@H+](CCc1ccccc1)Cc1ccccc1C#N ZINC000351582297 219134105 /nfs/dbraw/zinc/13/41/05/219134105.db2.gz KCUUGEXAPTWDOE-UHFFFAOYSA-N 1 1 294.398 3.249 20 30 CGEDMO CC(C)(C)OC(=O)C[N@@H+](CCCC(C)(C)C#N)CC1CC1 ZINC000593074653 347036067 /nfs/dbraw/zinc/03/60/67/347036067.db2.gz KHDCUAJELQEJLE-UHFFFAOYSA-N 1 1 294.439 3.370 20 30 CGEDMO CC(C)[N@@H+](CCC(=O)Nc1ccccc1C#N)CC1CC1 ZINC000042582860 344984928 /nfs/dbraw/zinc/98/49/28/344984928.db2.gz RMPUECQEHRQCON-UHFFFAOYSA-N 1 1 285.391 3.007 20 30 CGEDMO CCC(CC)C[N@@H+](CC)CC(=O)NC1(C#N)CCCCC1 ZINC000051824322 345092995 /nfs/dbraw/zinc/09/29/95/345092995.db2.gz NWWUIFXIWHYTQG-UHFFFAOYSA-N 1 1 293.455 3.087 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(OC(C)C)c(OC)c1 ZINC000054182871 345130015 /nfs/dbraw/zinc/13/00/15/345130015.db2.gz HFCBXWSRMNLBSZ-AWEZNQCLSA-N 1 1 276.380 3.264 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccc(C(N)=O)cc1 ZINC000065959651 345282078 /nfs/dbraw/zinc/28/20/78/345282078.db2.gz ZUZJICZAUIBJCO-UHFFFAOYSA-N 1 1 294.398 3.016 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cn2cc(Cl)ccc2n1 ZINC000066863731 345308507 /nfs/dbraw/zinc/30/85/07/345308507.db2.gz UEUYFOBPDPELKJ-UHFFFAOYSA-N 1 1 263.772 3.386 20 30 CGEDMO CCc1ccc(C[N@H+](C)C[C@@H](C#N)CCC#N)cc1 ZINC000072589838 345413589 /nfs/dbraw/zinc/41/35/89/345413589.db2.gz PJDURDGXWROJAG-MRXNPFEDSA-N 1 1 255.365 3.124 20 30 CGEDMO CCc1ccc(C[N@@H+](C)C[C@@H](C#N)CCC#N)cc1 ZINC000072589838 345413590 /nfs/dbraw/zinc/41/35/90/345413590.db2.gz PJDURDGXWROJAG-MRXNPFEDSA-N 1 1 255.365 3.124 20 30 CGEDMO C=C(C)C[NH2+][C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000273253697 192088479 /nfs/dbraw/zinc/08/84/79/192088479.db2.gz AUTHULKQFNTFTG-LLVKDONJSA-N 1 1 275.327 3.411 20 30 CGEDMO C=CCCC[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075750001 345521414 /nfs/dbraw/zinc/52/14/14/345521414.db2.gz SHZNIBAZCPAZAF-UHFFFAOYSA-N 1 1 282.347 3.006 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cn2ccccc2c1C#N ZINC000078426507 345608473 /nfs/dbraw/zinc/60/84/73/345608473.db2.gz PPWUWJKQOUTJQP-UHFFFAOYSA-N 1 1 253.349 3.209 20 30 CGEDMO Cc1cc(C)cc(OCC[N@H+](CCC#N)CC2CC2)c1 ZINC000081044856 345697738 /nfs/dbraw/zinc/69/77/38/345697738.db2.gz LOKSKYOBXYSHNE-UHFFFAOYSA-N 1 1 272.392 3.308 20 30 CGEDMO Cc1cc(C)cc(OCC[N@@H+](CCC#N)CC2CC2)c1 ZINC000081044856 345697741 /nfs/dbraw/zinc/69/77/41/345697741.db2.gz LOKSKYOBXYSHNE-UHFFFAOYSA-N 1 1 272.392 3.308 20 30 CGEDMO CC[C@@H]1C[C@@H](C)C[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000080747833 345685847 /nfs/dbraw/zinc/68/58/47/345685847.db2.gz WCUBKIHWRCXDSW-CZUORRHYSA-N 1 1 285.391 3.007 20 30 CGEDMO N#Cc1cc(Cl)ccc1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000091479927 345816688 /nfs/dbraw/zinc/81/66/88/345816688.db2.gz BDULCTXEBFGPNN-NSHDSACASA-N 1 1 286.766 3.319 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000091508459 345817078 /nfs/dbraw/zinc/81/70/78/345817078.db2.gz ARVUDZMQCDIAAX-ZDUSSCGKSA-N 1 1 278.362 3.301 20 30 CGEDMO C=CCCC[C@H](C)[N@H+](C)Cc1ccc(C(=O)NC)cc1 ZINC000091507254 345817346 /nfs/dbraw/zinc/81/73/46/345817346.db2.gz ALCXNCZXAKQNDH-AWEZNQCLSA-N 1 1 274.408 3.223 20 30 CGEDMO CC[C@@H]1CC[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000091072017 345802887 /nfs/dbraw/zinc/80/28/87/345802887.db2.gz AFLYUKDMXLIMGY-OAHLLOKOSA-N 1 1 294.402 3.284 20 30 CGEDMO CC[C@@H]1CC[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000091072017 345802891 /nfs/dbraw/zinc/80/28/91/345802891.db2.gz AFLYUKDMXLIMGY-OAHLLOKOSA-N 1 1 294.402 3.284 20 30 CGEDMO C=CCc1cc(C[N@H+]2CCC2(C)C)cc(OC)c1O ZINC000093460294 345879751 /nfs/dbraw/zinc/87/97/51/345879751.db2.gz BJMYIQIMSOUNBN-UHFFFAOYSA-N 1 1 261.365 3.114 20 30 CGEDMO C=CCOc1ccccc1CN1CC[C@@H](C[N@H+](C)CC)C1 ZINC000093770289 345886276 /nfs/dbraw/zinc/88/62/76/345886276.db2.gz CDSFXLDHBYJGCP-INIZCTEOSA-N 1 1 288.435 3.025 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)CCOc1ccccc1F ZINC000109812003 345943912 /nfs/dbraw/zinc/94/39/12/345943912.db2.gz FMCXBHRYFCLICK-UHFFFAOYSA-N 1 1 278.371 3.466 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)CCOc1ccccc1F ZINC000109812003 345943914 /nfs/dbraw/zinc/94/39/14/345943914.db2.gz FMCXBHRYFCLICK-UHFFFAOYSA-N 1 1 278.371 3.466 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000121127370 346000888 /nfs/dbraw/zinc/00/08/88/346000888.db2.gz HPJJFNXFOZOEDO-ZDUSSCGKSA-N 1 1 294.826 3.415 20 30 CGEDMO COc1ccc(C[N@H+]2CCS[C@H](C(C)C)C2)cc1C#N ZINC000135110315 346086312 /nfs/dbraw/zinc/08/63/12/346086312.db2.gz INWDHYFCWZNVKI-INIZCTEOSA-N 1 1 290.432 3.140 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c(F)c1 ZINC000177543206 232369794 /nfs/dbraw/zinc/36/97/94/232369794.db2.gz XVJHEUVBDGPQES-OKILXGFUSA-N 1 1 258.340 3.319 20 30 CGEDMO N#CCC1(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)CC1 ZINC000253101540 346393696 /nfs/dbraw/zinc/39/36/96/346393696.db2.gz XJWFTYOLEGSKHZ-OAGGEKHMSA-N 1 1 276.424 3.086 20 30 CGEDMO C[N@@H+](CCCOc1ccccc1)[C@H]1CC[C@H](C#N)C1 ZINC000278643047 346416052 /nfs/dbraw/zinc/41/60/52/346416052.db2.gz PGDLCQUFTBZHGH-GJZGRUSLSA-N 1 1 258.365 3.080 20 30 CGEDMO C[C@]1(c2cccc(F)c2)CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000593644871 347098232 /nfs/dbraw/zinc/09/82/32/347098232.db2.gz OTYIVIIGPPYJJI-KRWDZBQOSA-N 1 1 284.334 3.454 20 30 CGEDMO C[C@H]1Cc2[nH+]cn(CCOc3ccc(C#N)cc3)c2C[C@@H]1C ZINC000319717444 346487720 /nfs/dbraw/zinc/48/77/20/346487720.db2.gz JWWMVHGCTDWMAG-KBPBESRZSA-N 1 1 295.386 3.205 20 30 CGEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@H+](CC4(C#N)CC4)C3)nc2c1 ZINC000334317224 346493617 /nfs/dbraw/zinc/49/36/17/346493617.db2.gz QAURKVXYXRKHST-CQSZACIVSA-N 1 1 294.402 3.355 20 30 CGEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](CC4(C#N)CC4)C3)nc2c1 ZINC000334317224 346493623 /nfs/dbraw/zinc/49/36/23/346493623.db2.gz QAURKVXYXRKHST-CQSZACIVSA-N 1 1 294.402 3.355 20 30 CGEDMO Cc1ccc2nc([C@@H]3CCC[N@H+](CC4(C#N)CC4)C3)[nH]c2c1 ZINC000334317224 346493628 /nfs/dbraw/zinc/49/36/28/346493628.db2.gz QAURKVXYXRKHST-CQSZACIVSA-N 1 1 294.402 3.355 20 30 CGEDMO Cc1ccc2nc([C@@H]3CCC[N@@H+](CC4(C#N)CC4)C3)[nH]c2c1 ZINC000334317224 346493632 /nfs/dbraw/zinc/49/36/32/346493632.db2.gz QAURKVXYXRKHST-CQSZACIVSA-N 1 1 294.402 3.355 20 30 CGEDMO CCOc1ccccc1C[NH2+]CC1(C#N)CCCC1 ZINC000593649484 347099434 /nfs/dbraw/zinc/09/94/34/347099434.db2.gz JALPUIMAXRLDHA-UHFFFAOYSA-N 1 1 258.365 3.259 20 30 CGEDMO N#CC1(C[NH2+]Cc2cc(F)c(F)c(F)c2)CCCC1 ZINC000593652546 347099543 /nfs/dbraw/zinc/09/95/43/347099543.db2.gz BUSLWHVZUVLRKY-UHFFFAOYSA-N 1 1 268.282 3.277 20 30 CGEDMO Cc1ccccc1-n1cc(C[NH2+]CC2(C#N)CCCC2)cn1 ZINC000593654456 347100368 /nfs/dbraw/zinc/10/03/68/347100368.db2.gz YFBBRZMWXNFPEZ-UHFFFAOYSA-N 1 1 294.402 3.354 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000397656159 346583987 /nfs/dbraw/zinc/58/39/87/346583987.db2.gz FZVSAWNTAGXXBT-HUUCEWRRSA-N 1 1 270.376 3.178 20 30 CGEDMO COc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397848498 346585227 /nfs/dbraw/zinc/58/52/27/346585227.db2.gz QYCBWSGLPDQNDF-LBPRGKRZSA-N 1 1 278.783 3.474 20 30 CGEDMO COc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000397848498 346585229 /nfs/dbraw/zinc/58/52/29/346585229.db2.gz QYCBWSGLPDQNDF-LBPRGKRZSA-N 1 1 278.783 3.474 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000397824926 346585341 /nfs/dbraw/zinc/58/53/41/346585341.db2.gz LVYOBRFPQRPKOG-AWEZNQCLSA-N 1 1 265.360 3.360 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000397824928 346585369 /nfs/dbraw/zinc/58/53/69/346585369.db2.gz LVYOBRFPQRPKOG-CQSZACIVSA-N 1 1 265.360 3.360 20 30 CGEDMO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2C)[C@H](CC)CO1 ZINC000403864200 346598128 /nfs/dbraw/zinc/59/81/28/346598128.db2.gz JOKWJIYKWYXLPA-IAGOWNOFSA-N 1 1 272.392 3.256 20 30 CGEDMO CC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2C)[C@@H](CC)CO1 ZINC000403864202 346598406 /nfs/dbraw/zinc/59/84/06/346598406.db2.gz JOKWJIYKWYXLPA-IRXDYDNUSA-N 1 1 272.392 3.256 20 30 CGEDMO Clc1ccccc1C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000560182129 346658531 /nfs/dbraw/zinc/65/85/31/346658531.db2.gz GRTNQEOJAVWQJZ-DLBZAZTESA-N 1 1 289.806 3.335 20 30 CGEDMO Clc1ccccc1C#CC[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000560182129 346658533 /nfs/dbraw/zinc/65/85/33/346658533.db2.gz GRTNQEOJAVWQJZ-DLBZAZTESA-N 1 1 289.806 3.335 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC000585756363 346729617 /nfs/dbraw/zinc/72/96/17/346729617.db2.gz YKHKZRVNFWYSND-LJQANCHMSA-N 1 1 298.430 3.490 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2ccccn2)c(C(F)(F)F)c1 ZINC000589309588 346793616 /nfs/dbraw/zinc/79/36/16/346793616.db2.gz WEAKAVCGCABKTE-UHFFFAOYSA-N 1 1 291.276 3.262 20 30 CGEDMO N#CCCCC[C@@H]([NH3+])c1nc(-c2ccc(Cl)cc2)no1 ZINC000593941914 347121113 /nfs/dbraw/zinc/12/11/13/347121113.db2.gz CHWFFJHWHOPCMK-GFCCVEGCSA-N 1 1 290.754 3.474 20 30 CGEDMO C[N@@H+](Cc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CC[C@H](C#N)C1 ZINC000594035707 347141729 /nfs/dbraw/zinc/14/17/29/347141729.db2.gz SZSRAULEPLZBAI-CMPLNLGQSA-N 1 1 294.301 3.132 20 30 CGEDMO C[C@@H]1C[N@H+]([C@H]2CC[C@H](C#N)C2)CC2(CCCCC2)O1 ZINC000594057790 347146804 /nfs/dbraw/zinc/14/68/04/347146804.db2.gz MWUNCEHFLLZYHV-ILXRZTDVSA-N 1 1 262.397 3.102 20 30 CGEDMO N#Cc1ccc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c(F)c1 ZINC000594600443 347199987 /nfs/dbraw/zinc/19/99/87/347199987.db2.gz LFSXTGIYKUIPSA-HZPDHXFCSA-N 1 1 273.355 3.126 20 30 CGEDMO CC(C)(C#N)c1ccc(CN[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000594496070 347178782 /nfs/dbraw/zinc/17/87/82/347178782.db2.gz YUOBTXVIEWWINN-ROUUACIJSA-N 1 1 297.446 3.204 20 30 CGEDMO CC(C)(C#N)c1ccc(C[NH2+][C@H]2CCN3CCCC[C@@H]23)cc1 ZINC000594496070 347178783 /nfs/dbraw/zinc/17/87/83/347178783.db2.gz YUOBTXVIEWWINN-ROUUACIJSA-N 1 1 297.446 3.204 20 30 CGEDMO Cc1cc(C[C@H](C)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)n[nH]1 ZINC000594498219 347179534 /nfs/dbraw/zinc/17/95/34/347179534.db2.gz OUMRCFPPLJGBHR-ZDUSSCGKSA-N 1 1 296.418 3.240 20 30 CGEDMO C[NH+](C)C1(CNCc2ccc(C3(C#N)CC3)cc2)CCCC1 ZINC000594926753 347231670 /nfs/dbraw/zinc/23/16/70/347231670.db2.gz XSCCPMLKPKWKFP-UHFFFAOYSA-N 1 1 297.446 3.206 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CCCCC1)c1cncc(F)c1 ZINC000594980922 347247758 /nfs/dbraw/zinc/24/77/58/347247758.db2.gz CWYMUGSQDJFSGM-LBPRGKRZSA-N 1 1 261.344 3.345 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000595299575 347289458 /nfs/dbraw/zinc/28/94/58/347289458.db2.gz UZDDHVOPWLQIHQ-IBGZPJMESA-N 1 1 292.382 3.174 20 30 CGEDMO CC[N@@H+](C[C@H](C)C#N)C[C@@H](OC)C1CCCCC1 ZINC000595307604 347290353 /nfs/dbraw/zinc/29/03/53/347290353.db2.gz WSXQHKVHLPPONC-UKRRQHHQSA-N 1 1 252.402 3.063 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000595336132 347293880 /nfs/dbraw/zinc/29/38/80/347293880.db2.gz YQIKTADVECIIEM-LJQANCHMSA-N 1 1 292.382 3.174 20 30 CGEDMO Cn1cccc1[C@H]1CCC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595350838 347295587 /nfs/dbraw/zinc/29/55/87/347295587.db2.gz LGIYSHINKUNHJU-GOSISDBHSA-N 1 1 279.387 3.276 20 30 CGEDMO C[C@@H](C#N)C[N@H+](CCc1nsc2ccccc21)C1CC1 ZINC000595390426 347297361 /nfs/dbraw/zinc/29/73/61/347297361.db2.gz WCNVROXVARNDKB-LBPRGKRZSA-N 1 1 285.416 3.463 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](CCc1nsc2ccccc21)C1CC1 ZINC000595390426 347297364 /nfs/dbraw/zinc/29/73/64/347297364.db2.gz WCNVROXVARNDKB-LBPRGKRZSA-N 1 1 285.416 3.463 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCc3cc(F)ccc3C2)cc1 ZINC000595407177 347299363 /nfs/dbraw/zinc/29/93/63/347299363.db2.gz IQNVPRBCRUOQRM-UHFFFAOYSA-N 1 1 280.346 3.298 20 30 CGEDMO CC(C)(C)[N@@H+]1CC[C@H](N[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000595057218 347272437 /nfs/dbraw/zinc/27/24/37/347272437.db2.gz VGPXNYAIWGFCHT-WMZOPIPTSA-N 1 1 297.446 3.398 20 30 CGEDMO Cc1ncc([C@H](C)[NH2+]CC2(C#N)CCCCC2)c(C)n1 ZINC000595091066 347280186 /nfs/dbraw/zinc/28/01/86/347280186.db2.gz MWEPEXQVHWDBOB-LBPRGKRZSA-N 1 1 272.396 3.218 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000595611689 347326327 /nfs/dbraw/zinc/32/63/27/347326327.db2.gz MWYUNCWHUBCUKY-CQSZACIVSA-N 1 1 281.359 3.467 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000595611689 347326328 /nfs/dbraw/zinc/32/63/28/347326328.db2.gz MWYUNCWHUBCUKY-CQSZACIVSA-N 1 1 281.359 3.467 20 30 CGEDMO CC(C)N(C(=O)C[N@@H+]1CCC[C@H](CC#N)C1)c1ccccc1 ZINC000595610459 347326669 /nfs/dbraw/zinc/32/66/69/347326669.db2.gz YZLLFBSTYZVPCV-MRXNPFEDSA-N 1 1 299.418 3.054 20 30 CGEDMO CC(C)N(C(=O)C[N@H+]1CCC[C@H](CC#N)C1)c1ccccc1 ZINC000595610459 347326670 /nfs/dbraw/zinc/32/66/70/347326670.db2.gz YZLLFBSTYZVPCV-MRXNPFEDSA-N 1 1 299.418 3.054 20 30 CGEDMO COC(=O)c1oc([C@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)cc1C ZINC000595620317 347328192 /nfs/dbraw/zinc/32/81/92/347328192.db2.gz LRBNGENVUHKBKG-STQMWFEESA-N 1 1 290.363 3.061 20 30 CGEDMO COC(=O)c1oc([C@H](C)[N@H+]2CCC[C@@H](CC#N)C2)cc1C ZINC000595620317 347328198 /nfs/dbraw/zinc/32/81/98/347328198.db2.gz LRBNGENVUHKBKG-STQMWFEESA-N 1 1 290.363 3.061 20 30 CGEDMO C=CC[N@H+](Cc1ccc(C#N)cc1Cl)[C@H](C)COC ZINC000595638876 347330734 /nfs/dbraw/zinc/33/07/34/347330734.db2.gz NHDMXKQZNKRFEJ-GFCCVEGCSA-N 1 1 278.783 3.235 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(C#N)cc1Cl)[C@H](C)COC ZINC000595638876 347330737 /nfs/dbraw/zinc/33/07/37/347330737.db2.gz NHDMXKQZNKRFEJ-GFCCVEGCSA-N 1 1 278.783 3.235 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000595658726 347334649 /nfs/dbraw/zinc/33/46/49/347334649.db2.gz INLSDGDTUCATIS-CYBMUJFWSA-N 1 1 260.337 3.383 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CCCCC(=O)OCC)C1 ZINC000595660985 347335035 /nfs/dbraw/zinc/33/50/35/347335035.db2.gz VCWRAJYWJRLOIJ-CQSZACIVSA-N 1 1 253.386 3.008 20 30 CGEDMO N#CCSCCC[N@@H+]1CC[C@@H]1c1ccc(F)cc1 ZINC000595706596 347343799 /nfs/dbraw/zinc/34/37/99/347343799.db2.gz ZDUCPQKZYZHUMM-CQSZACIVSA-N 1 1 264.369 3.219 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@](O)(C3CC3)C2)cc1 ZINC000595749915 347349352 /nfs/dbraw/zinc/34/93/52/347349352.db2.gz IIMDQOIKNHBMFK-IBGZPJMESA-N 1 1 298.430 3.225 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](CCF)C1 ZINC000595755510 347350695 /nfs/dbraw/zinc/35/06/95/347350695.db2.gz NICKQCIPOROAIE-ZDUSSCGKSA-N 1 1 276.355 3.138 20 30 CGEDMO COc1ccc([C@H]2CCC[N@H+]2CCCC#N)cc1F ZINC000595754126 347350934 /nfs/dbraw/zinc/35/09/34/347350934.db2.gz UVKXKRJNDMKKRQ-CQSZACIVSA-N 1 1 262.328 3.275 20 30 CGEDMO COc1cccc([C@@]2(C)CC[N@@H+](CCCCC#N)C2)c1 ZINC000595764299 347352667 /nfs/dbraw/zinc/35/26/67/347352667.db2.gz GQZKFVZUVRFOMR-KRWDZBQOSA-N 1 1 272.392 3.352 20 30 CGEDMO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000595809668 347357405 /nfs/dbraw/zinc/35/74/05/347357405.db2.gz IMQDPTOLJOKYMS-RYUDHWBXSA-N 1 1 291.192 3.163 20 30 CGEDMO N#Cc1ccc(Br)c(C[N@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000595809668 347357406 /nfs/dbraw/zinc/35/74/06/347357406.db2.gz IMQDPTOLJOKYMS-RYUDHWBXSA-N 1 1 291.192 3.163 20 30 CGEDMO C[C@@H]1C[N@@H+](CCc2ccc(C#N)cc2)CC2(CCCC2)O1 ZINC000595567197 347320302 /nfs/dbraw/zinc/32/03/02/347320302.db2.gz KHEXJCZTKQIVOE-OAHLLOKOSA-N 1 1 284.403 3.134 20 30 CGEDMO CCCOc1ccc(OCC[N@@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000595835963 347363737 /nfs/dbraw/zinc/36/37/37/347363737.db2.gz TYSHPPDXPWTIBP-QGZVFWFLSA-N 1 1 288.391 3.090 20 30 CGEDMO CCCOc1ccc(OCC[N@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000595835963 347363741 /nfs/dbraw/zinc/36/37/41/347363741.db2.gz TYSHPPDXPWTIBP-QGZVFWFLSA-N 1 1 288.391 3.090 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](CCOc2ccc3ccccc3c2)C1 ZINC000595834751 347363752 /nfs/dbraw/zinc/36/37/52/347363752.db2.gz LRFXKWDFSYWSAD-SFHVURJKSA-N 1 1 280.371 3.454 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](CCOc2ccc3ccccc3c2)C1 ZINC000595834751 347363755 /nfs/dbraw/zinc/36/37/55/347363755.db2.gz LRFXKWDFSYWSAD-SFHVURJKSA-N 1 1 280.371 3.454 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000595844127 347366161 /nfs/dbraw/zinc/36/61/61/347366161.db2.gz AFYGOSKSRVGMGJ-OKILXGFUSA-N 1 1 283.331 3.149 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000595844127 347366164 /nfs/dbraw/zinc/36/61/64/347366164.db2.gz AFYGOSKSRVGMGJ-OKILXGFUSA-N 1 1 283.331 3.149 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1csc(C(=O)OC)c1 ZINC000595844536 347367225 /nfs/dbraw/zinc/36/72/25/347367225.db2.gz GBEFWJZUDFQLRD-BETUJISGSA-N 1 1 277.389 3.218 20 30 CGEDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000595856422 347368091 /nfs/dbraw/zinc/36/80/91/347368091.db2.gz CCJAKPWTZYVRKD-QXMXGUDHSA-N 1 1 285.347 3.229 20 30 CGEDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C#N)ccc1F ZINC000595857280 347368315 /nfs/dbraw/zinc/36/83/15/347368315.db2.gz IXPIEUKMOQYYMD-PHTAMDTFSA-N 1 1 258.340 3.460 20 30 CGEDMO CC[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000595868101 347368987 /nfs/dbraw/zinc/36/89/87/347368987.db2.gz SMFHJOYJBIRIRL-WCQYABFASA-N 1 1 291.420 3.211 20 30 CGEDMO CC[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)Nc1sccc1C#N ZINC000595868101 347368988 /nfs/dbraw/zinc/36/89/88/347368988.db2.gz SMFHJOYJBIRIRL-WCQYABFASA-N 1 1 291.420 3.211 20 30 CGEDMO CC12CC(C1)C[N@@H+]2Cc1ccc(C#N)cc1Br ZINC000595920827 347372305 /nfs/dbraw/zinc/37/23/05/347372305.db2.gz XIFFLUWPQSXUBW-UHFFFAOYSA-N 1 1 291.192 3.305 20 30 CGEDMO CC12CC(C1)C[N@H+]2Cc1ccc(C#N)cc1Br ZINC000595920827 347372307 /nfs/dbraw/zinc/37/23/07/347372307.db2.gz XIFFLUWPQSXUBW-UHFFFAOYSA-N 1 1 291.192 3.305 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596598137 347485586 /nfs/dbraw/zinc/48/55/86/347485586.db2.gz BZOJYVRUBLPMMM-UHFFFAOYSA-N 1 1 274.412 3.124 20 30 CGEDMO CC[N@@H+](Cc1ccc(O[C@@H](C)COC)cc1)C[C@H](C)C#N ZINC000596991344 347524757 /nfs/dbraw/zinc/52/47/57/347524757.db2.gz LPJPOJVSUROWOG-CABCVRRESA-N 1 1 290.407 3.082 20 30 CGEDMO CC[N@H+](Cc1ccc(O[C@@H](C)COC)cc1)C[C@H](C)C#N ZINC000596991344 347524761 /nfs/dbraw/zinc/52/47/61/347524761.db2.gz LPJPOJVSUROWOG-CABCVRRESA-N 1 1 290.407 3.082 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3C[C@@H]4CCC[C@@H]4C3)cc2)CC1 ZINC000597007844 347526600 /nfs/dbraw/zinc/52/66/00/347526600.db2.gz JIUMJIAUKNABCE-IYBDPMFKSA-N 1 1 266.388 3.474 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000597176952 347545554 /nfs/dbraw/zinc/54/55/54/347545554.db2.gz KAYVWYXHRBCXPK-BGGTVIOKSA-N 1 1 258.340 3.465 20 30 CGEDMO CO[C@]1(C)CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597115123 347536824 /nfs/dbraw/zinc/53/68/24/347536824.db2.gz HBFAVLIAHJNRCO-QGZVFWFLSA-N 1 1 284.403 3.243 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3CC[C@]4(C3)CCCOC4)cc2)CC1 ZINC000597120622 347537535 /nfs/dbraw/zinc/53/75/35/347537535.db2.gz IBHXZZFXODFHRQ-SFHVURJKSA-N 1 1 296.414 3.244 20 30 CGEDMO C[C@H]1C[N@@H+](CC(C)(C)CCC#N)C[C@@](C)(C(F)F)O1 ZINC000597253913 347563098 /nfs/dbraw/zinc/56/30/98/347563098.db2.gz APTOLYLXCWJEQW-FZMZJTMJSA-N 1 1 274.355 3.061 20 30 CGEDMO N#Cc1ccc(C[NH+]2CCC(c3ccco3)CC2)o1 ZINC000597180589 347546139 /nfs/dbraw/zinc/54/61/39/347546139.db2.gz RWLQUARKCSPFMX-UHFFFAOYSA-N 1 1 256.305 3.124 20 30 CGEDMO C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(C#N)c(F)c1 ZINC000599069295 347713831 /nfs/dbraw/zinc/71/38/31/347713831.db2.gz FKFNZXZYXKICKQ-UONOGXRCSA-N 1 1 289.398 3.080 20 30 CGEDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598591383 347667868 /nfs/dbraw/zinc/66/78/68/347667868.db2.gz ASAIIECICIAMQI-KKUMJFAQSA-N 1 1 266.429 3.188 20 30 CGEDMO Cc1ccc(C[C@@H](C)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598593472 347668339 /nfs/dbraw/zinc/66/83/39/347668339.db2.gz TVVHAFLMZBXBBE-WBVHZDCISA-N 1 1 288.435 3.159 20 30 CGEDMO CC(C)(C)[C@@H]1CCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598592967 347668390 /nfs/dbraw/zinc/66/83/90/347668390.db2.gz PGGORRCUYDMAAE-CABCVRRESA-N 1 1 280.456 3.435 20 30 CGEDMO CC(C)CC[C@H]1CCC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598593049 347668614 /nfs/dbraw/zinc/66/86/14/347668614.db2.gz ONGHCIPVNZIATC-HUUCEWRRSA-N 1 1 266.429 3.188 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCCC12CCCCC2 ZINC000598599417 347669952 /nfs/dbraw/zinc/66/99/52/347669952.db2.gz NQFQPHFTGMDMFZ-CQSZACIVSA-N 1 1 264.413 3.086 20 30 CGEDMO Cc1ccccc1C[C@H](C)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598613590 347671253 /nfs/dbraw/zinc/67/12/53/347671253.db2.gz KEEVYBNXRHOPDR-RDJZCZTQSA-N 1 1 288.435 3.159 20 30 CGEDMO C[C@]12CCCC[C@H]1C[N@H+]2Cc1cc(C#N)ccc1F ZINC000599674431 347764147 /nfs/dbraw/zinc/76/41/47/347764147.db2.gz HAHYRZCAADYZCG-HOCLYGCPSA-N 1 1 258.340 3.462 20 30 CGEDMO C[C@]12CCCC[C@H]1C[N@@H+]2Cc1cc(F)ccc1C#N ZINC000599674437 347764224 /nfs/dbraw/zinc/76/42/24/347764224.db2.gz HEGCQIRPKGGHTJ-HOCLYGCPSA-N 1 1 258.340 3.462 20 30 CGEDMO C[C@]12CCCC[C@H]1C[N@H+]2Cc1cc(F)ccc1C#N ZINC000599674437 347764229 /nfs/dbraw/zinc/76/42/29/347764229.db2.gz HEGCQIRPKGGHTJ-HOCLYGCPSA-N 1 1 258.340 3.462 20 30 CGEDMO N#CCc1cccc2c1CC[N@@H+](Cc1cccc(C#N)c1)C2 ZINC000599675022 347764363 /nfs/dbraw/zinc/76/43/63/347764363.db2.gz GZZXPYYYJSFJEU-UHFFFAOYSA-N 1 1 287.366 3.183 20 30 CGEDMO CC1(C)CC[C@@H](C[N@H+]2CCc3c(CC#N)cccc3C2)O1 ZINC000599678467 347765374 /nfs/dbraw/zinc/76/53/74/347765374.db2.gz RDZPOLXNTJCKIF-INIZCTEOSA-N 1 1 284.403 3.068 20 30 CGEDMO Cc1ncc(C[N@@H+](C)Cc2ccc(C)c(C#N)c2)s1 ZINC000599264721 347730486 /nfs/dbraw/zinc/73/04/86/347730486.db2.gz PRNUVSKEBAIQLL-UHFFFAOYSA-N 1 1 271.389 3.264 20 30 CGEDMO Cc1ncc(C[N@H+](C)Cc2ccc(C)c(C#N)c2)s1 ZINC000599264721 347730491 /nfs/dbraw/zinc/73/04/91/347730491.db2.gz PRNUVSKEBAIQLL-UHFFFAOYSA-N 1 1 271.389 3.264 20 30 CGEDMO COCC[N@H+](Cc1ccc(C)o1)Cc1ccc(C)c(C#N)c1 ZINC000599313263 347734650 /nfs/dbraw/zinc/73/46/50/347734650.db2.gz WLRMADGIYVBQKJ-UHFFFAOYSA-N 1 1 298.386 3.417 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C)o1)Cc1ccc(C)c(C#N)c1 ZINC000599313263 347734651 /nfs/dbraw/zinc/73/46/51/347734651.db2.gz WLRMADGIYVBQKJ-UHFFFAOYSA-N 1 1 298.386 3.417 20 30 CGEDMO C=C(C)C[N@H+](CCCCC(=O)OC)Cc1ccccc1 ZINC000599390322 347741499 /nfs/dbraw/zinc/74/14/99/347741499.db2.gz BCCKHRBONDYEJF-UHFFFAOYSA-N 1 1 275.392 3.408 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(C(=O)OC)oc2CC)C1 ZINC000599526868 347750707 /nfs/dbraw/zinc/75/07/07/347750707.db2.gz VIMCCJSJIPLHJV-GFCCVEGCSA-N 1 1 277.364 3.027 20 30 CGEDMO Cc1ccc(C[N@H+]2CCCC(F)(F)CC2)cc1C#N ZINC000599553260 347754452 /nfs/dbraw/zinc/75/44/52/347754452.db2.gz XQOXTAJNNKBUJF-UHFFFAOYSA-N 1 1 264.319 3.488 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599582511 347756262 /nfs/dbraw/zinc/75/62/62/347756262.db2.gz MSVLDLAJXNWLAU-KBPBESRZSA-N 1 1 267.413 3.252 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCc2c(O)cccc2C1 ZINC000599646454 347761484 /nfs/dbraw/zinc/76/14/84/347761484.db2.gz KOWZIBLNJCAQEI-UHFFFAOYSA-N 1 1 258.365 3.080 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000600179811 347789887 /nfs/dbraw/zinc/78/98/87/347789887.db2.gz WPKSBHWTGBKBQB-ZDUSSCGKSA-N 1 1 253.349 3.294 20 30 CGEDMO N#C[C@@H]1CC[C@H]([NH2+][C@@H](CF)c2ccc(F)cc2)C1 ZINC000601318528 347891845 /nfs/dbraw/zinc/89/18/45/347891845.db2.gz NQVNTUVCXHRJQR-SWHYSGLUSA-N 1 1 250.292 3.118 20 30 CGEDMO Cc1cc(C)c(CNc2cccc(C#N)c2)c(C)[nH+]1 ZINC000601925539 347924273 /nfs/dbraw/zinc/92/42/73/347924273.db2.gz NVABXVZVRSQGEE-UHFFFAOYSA-N 1 1 251.333 3.491 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000602430179 347956345 /nfs/dbraw/zinc/95/63/45/347956345.db2.gz IVMZGBFGTJNTLB-CABCVRRESA-N 1 1 297.406 3.200 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000602436156 347956934 /nfs/dbraw/zinc/95/69/34/347956934.db2.gz VZLLNFQTPKIZIL-ZDUSSCGKSA-N 1 1 267.376 3.466 20 30 CGEDMO CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H](C)CCC#N ZINC000602432257 347956986 /nfs/dbraw/zinc/95/69/86/347956986.db2.gz GICXVERQQPHFPG-ZDUSSCGKSA-N 1 1 298.390 3.097 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]2c2ccccc2)n1 ZINC000602436163 347957246 /nfs/dbraw/zinc/95/72/46/347957246.db2.gz VZTAAWHJRLHCFK-QGZVFWFLSA-N 1 1 263.344 3.290 20 30 CGEDMO C=CC[N@@H+](CCC[C@@H]1CCO1)Cc1cccc(C#N)c1 ZINC000602455265 347961195 /nfs/dbraw/zinc/96/11/95/347961195.db2.gz QXUDVKJNJTWGAH-QGZVFWFLSA-N 1 1 270.376 3.115 20 30 CGEDMO C[C@H](CCC#N)CN1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000602456592 347961435 /nfs/dbraw/zinc/96/14/35/347961435.db2.gz ZTYAICKUTVMVOA-WCXIOVBPSA-N 1 1 277.456 3.263 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+]1CCC[C@@H](N2[C@H](C)CC[C@@H]2C)C1 ZINC000602456592 347961437 /nfs/dbraw/zinc/96/14/37/347961437.db2.gz ZTYAICKUTVMVOA-WCXIOVBPSA-N 1 1 277.456 3.263 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H](N2[C@H](C)CC[C@@H]2C)C1 ZINC000602456592 347961439 /nfs/dbraw/zinc/96/14/39/347961439.db2.gz ZTYAICKUTVMVOA-WCXIOVBPSA-N 1 1 277.456 3.263 20 30 CGEDMO C[C@H](CCC#N)C[NH2+]CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 ZINC000602529754 347976934 /nfs/dbraw/zinc/97/69/34/347976934.db2.gz OSVIKEWNRIEKKU-BZUAXINKSA-N 1 1 279.472 3.272 20 30 CGEDMO CC(C)C[C@@H]([NH2+]C[C@@H](C)CCC#N)C(=O)OC(C)(C)C ZINC000602589303 347989551 /nfs/dbraw/zinc/98/95/51/347989551.db2.gz TXNFVSUAOLETTG-UONOGXRCSA-N 1 1 282.428 3.272 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000602647537 348000755 /nfs/dbraw/zinc/00/07/55/348000755.db2.gz TYBAHHVSOOZGBA-GJZGRUSLSA-N 1 1 289.398 3.276 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@H]1COc1ccccc1 ZINC000602682950 348008454 /nfs/dbraw/zinc/00/84/54/348008454.db2.gz YQITZWGGLSWZDF-HOTGVXAUSA-N 1 1 272.392 3.470 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000602696813 348011251 /nfs/dbraw/zinc/01/12/51/348011251.db2.gz GSRPRHHQQRMVRN-KFWWJZLASA-N 1 1 294.439 3.226 20 30 CGEDMO CCOC(=O)[C@H]([NH2+]C[C@@H](C)CCC#N)C1CCCCCC1 ZINC000602706113 348013624 /nfs/dbraw/zinc/01/36/24/348013624.db2.gz ATDYJNCCHWOVQL-GOEBONIOSA-N 1 1 294.439 3.418 20 30 CGEDMO Cn1c(C[N@H+]2CCC[C@H](CC#N)C2)cc2ccccc21 ZINC000602705565 348013700 /nfs/dbraw/zinc/01/37/00/348013700.db2.gz IIZANDYPKCHQLC-CQSZACIVSA-N 1 1 267.376 3.304 20 30 CGEDMO COc1nc(C)cc(C)c1C[N@@H+](C)C[C@H](C)CCC#N ZINC000602716612 348016573 /nfs/dbraw/zinc/01/65/73/348016573.db2.gz URMBRALMHCLHMA-GFCCVEGCSA-N 1 1 275.396 3.079 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc[nH]c(=O)c1 ZINC000602786663 348029830 /nfs/dbraw/zinc/02/98/30/348029830.db2.gz SKXQTASACYAMQE-IRXDYDNUSA-N 1 1 293.370 3.059 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CCC[C@H](C3CCC3)CC2)n1 ZINC000602743726 348023269 /nfs/dbraw/zinc/02/32/69/348023269.db2.gz ZCSINHRCNMFRTC-ZDUSSCGKSA-N 1 1 275.421 3.417 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@H](C3CCC3)CC2)n1 ZINC000602743726 348023271 /nfs/dbraw/zinc/02/32/71/348023271.db2.gz ZCSINHRCNMFRTC-ZDUSSCGKSA-N 1 1 275.421 3.417 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC1(CC#N)CC1 ZINC000602763542 348025162 /nfs/dbraw/zinc/02/51/62/348025162.db2.gz LURVSYDFJHUHHC-UHFFFAOYSA-N 1 1 287.363 3.499 20 30 CGEDMO COc1ccc(C[N@@H+](C)CC2(CC#N)CC2)cc1C ZINC000602772711 348026674 /nfs/dbraw/zinc/02/66/74/348026674.db2.gz NPNGDXXSXRWJAM-UHFFFAOYSA-N 1 1 258.365 3.129 20 30 CGEDMO N#CCC1(C[N@H+](CCCO)[C@H]2CCc3ccccc32)CC1 ZINC000602780469 348027231 /nfs/dbraw/zinc/02/72/31/348027231.db2.gz UYCFOGKNPAHWJB-KRWDZBQOSA-N 1 1 284.403 3.052 20 30 CGEDMO CC[C@@H]([NH2+]Cc1cccc(C#N)n1)c1ccc(F)cc1F ZINC000602556178 347981227 /nfs/dbraw/zinc/98/12/27/347981227.db2.gz IZFAQNUZFIKSBK-MRXNPFEDSA-N 1 1 287.313 3.472 20 30 CGEDMO N#CCC1(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)CC1 ZINC000602791703 348030649 /nfs/dbraw/zinc/03/06/49/348030649.db2.gz RYGPIEZNHDWCST-OAHLLOKOSA-N 1 1 256.349 3.223 20 30 CGEDMO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](CC2(CC#N)CC2)C1 ZINC000602807044 348032618 /nfs/dbraw/zinc/03/26/18/348032618.db2.gz HJXOYDFZOFKVDU-UKRRQHHQSA-N 1 1 255.365 3.158 20 30 CGEDMO N#CCC1(C[N@H+]2CC[C@H](c3ccc4cccnc4n3)C2)CC1 ZINC000602881291 348040141 /nfs/dbraw/zinc/04/01/41/348040141.db2.gz GEVDUVIYVQGGLZ-HNNXBMFYSA-N 1 1 292.386 3.113 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCOC(C)(C)C ZINC000604492816 348121624 /nfs/dbraw/zinc/12/16/24/348121624.db2.gz XXULVZFRABZPNH-ZDUSSCGKSA-N 1 1 260.381 3.366 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000607726904 348257962 /nfs/dbraw/zinc/25/79/62/348257962.db2.gz HDOWINCHEDUXJY-OAHLLOKOSA-N 1 1 252.361 3.371 20 30 CGEDMO C[C@@H](CC#N)[NH2+]CCOc1ccc2ccccc2c1 ZINC000609030752 348334960 /nfs/dbraw/zinc/33/49/60/348334960.db2.gz FNCUPDRLLMBLAC-ZDUSSCGKSA-N 1 1 254.333 3.110 20 30 CGEDMO C[C@@H]1COCCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000610990574 348414042 /nfs/dbraw/zinc/41/40/42/348414042.db2.gz BHVCYNHMBWMLRD-CQSZACIVSA-N 1 1 272.392 3.099 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCS[C@H](c3ccccc3)C2)ccn1 ZINC000610993216 348414722 /nfs/dbraw/zinc/41/47/22/348414722.db2.gz HXZHJUYHHQHVCQ-KRWDZBQOSA-N 1 1 295.411 3.243 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCS[C@H](c3ccccc3)C2)ccn1 ZINC000610993216 348414726 /nfs/dbraw/zinc/41/47/26/348414726.db2.gz HXZHJUYHHQHVCQ-KRWDZBQOSA-N 1 1 295.411 3.243 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)ccn1 ZINC000610993584 348415935 /nfs/dbraw/zinc/41/59/35/348415935.db2.gz YOYSYAPVOJTUKZ-INIZCTEOSA-N 1 1 295.361 3.157 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H]2C)c1C#N ZINC000611348136 348440038 /nfs/dbraw/zinc/44/00/38/348440038.db2.gz PUOSKWBDDUFNEO-ZDUSSCGKSA-N 1 1 280.375 3.037 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H]2C)c1C#N ZINC000611348136 348440040 /nfs/dbraw/zinc/44/00/40/348440040.db2.gz PUOSKWBDDUFNEO-ZDUSSCGKSA-N 1 1 280.375 3.037 20 30 CGEDMO CC#CC[N@@H+](C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273368248 192128278 /nfs/dbraw/zinc/12/82/78/192128278.db2.gz BLBGAEKILKMPNA-HZPDHXFCSA-N 1 1 261.340 3.001 20 30 CGEDMO CCOC(=O)c1ccc(C[NH2+][C@@H](C)c2cccc(C#N)c2)o1 ZINC000611386732 348443845 /nfs/dbraw/zinc/44/38/45/348443845.db2.gz SOCCUBXYXKTBMK-LBPRGKRZSA-N 1 1 298.342 3.179 20 30 CGEDMO C[C@H]1Cc2ccccc2N1C1CC[NH+](CC2(C#N)CC2)CC1 ZINC000611430554 348451650 /nfs/dbraw/zinc/45/16/50/348451650.db2.gz FZILRJJNWXSYIW-HNNXBMFYSA-N 1 1 295.430 3.206 20 30 CGEDMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CCCSCC#N ZINC000611554389 348460290 /nfs/dbraw/zinc/46/02/90/348460290.db2.gz NFBHVCVVUCCZDU-GHMZBOCLSA-N 1 1 280.359 3.296 20 30 CGEDMO CCc1cc(NCC(C)(C)C#N)c2ccccc2[nH+]1 ZINC000611617818 348463523 /nfs/dbraw/zinc/46/35/23/348463523.db2.gz CGLLDKADPNVLIO-UHFFFAOYSA-N 1 1 253.349 3.181 20 30 CGEDMO C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612159580 348497743 /nfs/dbraw/zinc/49/77/43/348497743.db2.gz CXFKMUYSJFXUOA-BZUAXINKSA-N 1 1 264.413 3.207 20 30 CGEDMO C[C@@H]1CCCC[C@H]1OCC[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612159580 348497744 /nfs/dbraw/zinc/49/77/44/348497744.db2.gz CXFKMUYSJFXUOA-BZUAXINKSA-N 1 1 264.413 3.207 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](C[C@H]2CCc3ccccc3C2)C1 ZINC000612165227 348499193 /nfs/dbraw/zinc/49/91/93/348499193.db2.gz LTJGMDTWAHFUJB-MAUKXSAKSA-N 1 1 268.404 3.417 20 30 CGEDMO CCCOc1ccc(C[NH2+]CC(C)(C)C#N)cc1OC ZINC000612584836 348530539 /nfs/dbraw/zinc/53/05/39/348530539.db2.gz CPAYISKBBOUYGD-UHFFFAOYSA-N 1 1 276.380 3.123 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@]3(CCOC3)C2)cc1 ZINC000614171784 348655111 /nfs/dbraw/zinc/65/51/11/348655111.db2.gz ZPIHQSHUJMDSNJ-SFHVURJKSA-N 1 1 284.403 3.100 20 30 CGEDMO CC(C)(O)[C@@H]1CCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176157 348655130 /nfs/dbraw/zinc/65/51/30/348655130.db2.gz MWVSVRYMFRSVQP-INIZCTEOSA-N 1 1 286.419 3.223 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000614962858 348703349 /nfs/dbraw/zinc/70/33/49/348703349.db2.gz KBKCFMGMLPXXAO-PBHICJAKSA-N 1 1 280.375 3.153 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)[C@H](C)[C@@H](C)O1 ZINC000615000407 348706088 /nfs/dbraw/zinc/70/60/88/348706088.db2.gz YBPVDRJOFGARNG-RBSFLKMASA-N 1 1 286.419 3.485 20 30 CGEDMO C[NH+](C)[C@H]1CCCN(Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000617573246 348975613 /nfs/dbraw/zinc/97/56/13/348975613.db2.gz PUSBHPWCWQQQQN-SFHVURJKSA-N 1 1 299.462 3.404 20 30 CGEDMO C=CC[C@@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC000617777931 349008389 /nfs/dbraw/zinc/00/83/89/349008389.db2.gz ZYYZNWABZXPQMH-HUUCEWRRSA-N 1 1 289.423 3.211 20 30 CGEDMO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(C#N)cc1F ZINC000358568431 233157073 /nfs/dbraw/zinc/15/70/73/233157073.db2.gz LAKXEKGADMWBKH-NSHDSACASA-N 1 1 299.305 3.456 20 30 CGEDMO C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1nccs1 ZINC000618801328 349155466 /nfs/dbraw/zinc/15/54/66/349155466.db2.gz ACQNNNZIMMPDJT-HZMBPMFUSA-N 1 1 269.373 3.353 20 30 CGEDMO Cc1cccc([C@H]2CCC[N@@H+]2C[C@H](C)CCC#N)n1 ZINC000618887905 349175474 /nfs/dbraw/zinc/17/54/74/349175474.db2.gz IUMVRJJUMCQPBD-CZUORRHYSA-N 1 1 257.381 3.467 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000618887193 349175500 /nfs/dbraw/zinc/17/55/00/349175500.db2.gz LNLGVFDOCCYLEW-CZUORRHYSA-N 1 1 276.355 3.139 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000618887193 349175502 /nfs/dbraw/zinc/17/55/02/349175502.db2.gz LNLGVFDOCCYLEW-CZUORRHYSA-N 1 1 276.355 3.139 20 30 CGEDMO CC(C)[C@H](CO)[N@H+](Cc1ccccc1)C[C@H](C)CCC#N ZINC000618888101 349175690 /nfs/dbraw/zinc/17/56/90/349175690.db2.gz NLMDSTYKFIZCPH-AEFFLSMTSA-N 1 1 288.435 3.445 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[N@H+](CCC)C2)CCCCC1 ZINC000619905711 349289468 /nfs/dbraw/zinc/28/94/68/349289468.db2.gz XRROABBWQHXQEG-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@@H]2CCCc3cccnc32)c(F)c1 ZINC000619611088 349263236 /nfs/dbraw/zinc/26/32/36/349263236.db2.gz FRTMPMFWNZOCQD-MRXNPFEDSA-N 1 1 281.334 3.260 20 30 CGEDMO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000619720806 349278821 /nfs/dbraw/zinc/27/88/21/349278821.db2.gz XWYKAIQWTPARKD-CZUORRHYSA-N 1 1 291.366 3.123 20 30 CGEDMO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000619720806 349278824 /nfs/dbraw/zinc/27/88/24/349278824.db2.gz XWYKAIQWTPARKD-CZUORRHYSA-N 1 1 291.366 3.123 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000625315068 350157209 /nfs/dbraw/zinc/15/72/09/350157209.db2.gz SGRSQBDQRNYIRE-CQSZACIVSA-N 1 1 296.773 3.092 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000625315068 350157210 /nfs/dbraw/zinc/15/72/10/350157210.db2.gz SGRSQBDQRNYIRE-CQSZACIVSA-N 1 1 296.773 3.092 20 30 CGEDMO C=CC[C@@H]1[N@H+](CCOC2CCOCC2)CCCC1(C)C ZINC000625375677 350164792 /nfs/dbraw/zinc/16/47/92/350164792.db2.gz XFUBLCAHBVYENG-INIZCTEOSA-N 1 1 281.440 3.249 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CC(=O)Nc2cccc(Cl)c2C)C1 ZINC000625703985 350200482 /nfs/dbraw/zinc/20/04/82/350200482.db2.gz QLCSTDXNPOSHOD-CYBMUJFWSA-N 1 1 292.810 3.485 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2nc(CCc3ccccc3)no2)C1 ZINC000625701110 350198304 /nfs/dbraw/zinc/19/83/04/350198304.db2.gz OMESGLXOBAYDIW-INIZCTEOSA-N 1 1 297.402 3.253 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CC(=O)Nc2cccc(C)c2C)C1 ZINC000625703636 350199464 /nfs/dbraw/zinc/19/94/64/350199464.db2.gz OAQXVSORRDWEPX-HNNXBMFYSA-N 1 1 272.392 3.140 20 30 CGEDMO C=CC[N@H+](CC(=O)N(CCC)CC(F)(F)F)C(C)(C)C ZINC000625538619 350183170 /nfs/dbraw/zinc/18/31/70/350183170.db2.gz IXYJYTHPISNGGV-UHFFFAOYSA-N 1 1 294.361 3.074 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625804102 350215646 /nfs/dbraw/zinc/21/56/46/350215646.db2.gz WMMVSBGSCZTYOF-GOSISDBHSA-N 1 1 285.387 3.453 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2cccc3n[nH]cc32)C1 ZINC000628337893 350504546 /nfs/dbraw/zinc/50/45/46/350504546.db2.gz UKALNFNIGZMBPC-CYBMUJFWSA-N 1 1 255.365 3.351 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2OC)C1 ZINC000628405337 350528637 /nfs/dbraw/zinc/52/86/37/350528637.db2.gz JKHSWIJWDGFHCI-ZDUSSCGKSA-N 1 1 291.391 3.110 20 30 CGEDMO C=CCOc1c(Cl)cc(C[N@H+]2C[C@@H]3C[C@@H]3C2)cc1OC ZINC000628411220 350531769 /nfs/dbraw/zinc/53/17/69/350531769.db2.gz ASYNKSJABDTBIH-BETUJISGSA-N 1 1 293.794 3.365 20 30 CGEDMO C=CC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000628489341 350556807 /nfs/dbraw/zinc/55/68/07/350556807.db2.gz UPOYOWDBDJHVNP-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3cccc(C)c3)C2)C1 ZINC000634276893 351461242 /nfs/dbraw/zinc/46/12/42/351461242.db2.gz XMSMUDLWLDGKAM-KRWDZBQOSA-N 1 1 298.430 3.042 20 30 CGEDMO C=CCCc1ccccc1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000635897439 351701279 /nfs/dbraw/zinc/70/12/79/351701279.db2.gz QRLLBBBCZMVREG-INIZCTEOSA-N 1 1 272.392 3.228 20 30 CGEDMO C=CCCc1ccccc1NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000635897439 351701280 /nfs/dbraw/zinc/70/12/80/351701280.db2.gz QRLLBBBCZMVREG-INIZCTEOSA-N 1 1 272.392 3.228 20 30 CGEDMO CSCC[C@@H](C)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000122920595 187060188 /nfs/dbraw/zinc/06/01/88/187060188.db2.gz AXNWCJKZUXJGCW-CYBMUJFWSA-N 1 1 265.397 3.251 20 30 CGEDMO CC(C)[C@H]1[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CC12CCC2 ZINC000291932746 198109684 /nfs/dbraw/zinc/10/96/84/198109684.db2.gz OPGCTOZEVUAEQD-DLBZAZTESA-N 1 1 284.403 3.102 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000157040857 188294109 /nfs/dbraw/zinc/29/41/09/188294109.db2.gz MKQAKXLPTSDVGM-NVXWUHKLSA-N 1 1 258.409 3.157 20 30 CGEDMO C=CCN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157040857 188294118 /nfs/dbraw/zinc/29/41/18/188294118.db2.gz MKQAKXLPTSDVGM-NVXWUHKLSA-N 1 1 258.409 3.157 20 30 CGEDMO C=CCN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157040857 188294119 /nfs/dbraw/zinc/29/41/19/188294119.db2.gz MKQAKXLPTSDVGM-NVXWUHKLSA-N 1 1 258.409 3.157 20 30 CGEDMO C=C(Br)C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000271752964 191306253 /nfs/dbraw/zinc/30/62/53/191306253.db2.gz GDXUCASJBZJZLK-UHFFFAOYSA-N 1 1 277.165 3.046 20 30 CGEDMO C#CC[C@H]([NH2+]Cc1nccn1C(C)C)c1ccccc1 ZINC000271754362 191307164 /nfs/dbraw/zinc/30/71/64/191307164.db2.gz YKCULDVUFDTJEN-INIZCTEOSA-N 1 1 267.376 3.318 20 30 CGEDMO N#C[C@H]1CC[C@H]([N@@H+]2CCc3c(F)cc(F)cc3C2)C1 ZINC000336520984 283067358 /nfs/dbraw/zinc/06/73/58/283067358.db2.gz YPPUPMLWZCZSBJ-GWCFXTLKSA-N 1 1 262.303 3.015 20 30 CGEDMO N#C[C@H]1CC[C@H]([N@H+]2CCc3c(F)cc(F)cc3C2)C1 ZINC000336520984 283067360 /nfs/dbraw/zinc/06/73/60/283067360.db2.gz YPPUPMLWZCZSBJ-GWCFXTLKSA-N 1 1 262.303 3.015 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000289478701 283138711 /nfs/dbraw/zinc/13/87/11/283138711.db2.gz ICAMXQONDGDTFT-DLBZAZTESA-N 1 1 282.387 3.092 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@H]2CCOc3ccc(F)cc32)s1 ZINC000237713102 283148423 /nfs/dbraw/zinc/14/84/23/283148423.db2.gz AHSVZLWZMMNYEY-AWEZNQCLSA-N 1 1 288.347 3.372 20 30 CGEDMO C#CCCC[N@H+](C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273546292 192196743 /nfs/dbraw/zinc/19/67/43/192196743.db2.gz UQVPJAKRDXHPOE-DLBZAZTESA-N 1 1 275.367 3.391 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCSC[C@H]2C2CC2)c1F ZINC000451647139 283205805 /nfs/dbraw/zinc/20/58/05/283205805.db2.gz HVRZPEGZOAAFJY-AWEZNQCLSA-N 1 1 276.380 3.025 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCSC[C@H]2C2CC2)c1F ZINC000451647139 283205809 /nfs/dbraw/zinc/20/58/09/283205809.db2.gz HVRZPEGZOAAFJY-AWEZNQCLSA-N 1 1 276.380 3.025 20 30 CGEDMO C[C@H](C1CC1)[N@@H+](CCOc1ccccc1C#N)C1CC1 ZINC000125684450 138384206 /nfs/dbraw/zinc/38/42/06/138384206.db2.gz ZMYUIHLLSHJMPE-CYBMUJFWSA-N 1 1 270.376 3.200 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCO[C@H]1CCCCO1 ZINC000425537744 236258377 /nfs/dbraw/zinc/25/83/77/236258377.db2.gz QZAPDDNEQNWYKT-PBHICJAKSA-N 1 1 288.391 3.094 20 30 CGEDMO Cc1cncc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425540159 236258597 /nfs/dbraw/zinc/25/85/97/236258597.db2.gz UZPOXCOFWCHLAZ-CQSZACIVSA-N 1 1 265.360 3.455 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@@H]1C ZINC000336257607 213093567 /nfs/dbraw/zinc/09/35/67/213093567.db2.gz PLXXPINMAVWRTL-NHYWBVRUSA-N 1 1 278.783 3.068 20 30 CGEDMO C[C@@]12CC[N@H+](Cc3ccccc3C#N)C[C@@H]1C2(F)F ZINC000298303596 200388556 /nfs/dbraw/zinc/38/85/56/200388556.db2.gz PTWPJNYCCMJBPM-UONOGXRCSA-N 1 1 262.303 3.035 20 30 CGEDMO C[C@@]12CC[N@@H+](Cc3ccccc3C#N)C[C@@H]1C2(F)F ZINC000298303596 200388558 /nfs/dbraw/zinc/38/85/58/200388558.db2.gz PTWPJNYCCMJBPM-UONOGXRCSA-N 1 1 262.303 3.035 20 30 CGEDMO Cc1cccc(C)c1[C@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000352931064 219745203 /nfs/dbraw/zinc/74/52/03/219745203.db2.gz DOOLRWDTSHSFPY-LBPRGKRZSA-N 1 1 271.389 3.482 20 30 CGEDMO CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)CC(C)C ZINC000177175062 189034460 /nfs/dbraw/zinc/03/44/60/189034460.db2.gz GGTKGDFUBRCMPW-UHFFFAOYSA-N 1 1 293.436 3.153 20 30 CGEDMO C=CCN1CCC([NH2+][C@H](C)c2cccnc2Cl)CC1 ZINC000177907511 189078586 /nfs/dbraw/zinc/07/85/86/189078586.db2.gz QXJJYBDEIOAYAK-GFCCVEGCSA-N 1 1 279.815 3.036 20 30 CGEDMO CC[N@@H+](CCc1nccs1)Cc1cccc(C#N)c1 ZINC000179036032 189163433 /nfs/dbraw/zinc/16/34/33/189163433.db2.gz APRJJLIUCWXBLH-UHFFFAOYSA-N 1 1 271.389 3.079 20 30 CGEDMO C[C@@H]1C[C@H](N(C)Cc2ccc(C#N)cc2Cl)CC[N@H+]1C ZINC000335677965 212398939 /nfs/dbraw/zinc/39/89/39/212398939.db2.gz WYHGDTJNFQOGTP-IUODEOHRSA-N 1 1 291.826 3.126 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000335673287 212392706 /nfs/dbraw/zinc/39/27/06/212392706.db2.gz FCMWVWHHSYAERL-NSHDSACASA-N 1 1 280.318 3.044 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000335673287 212392709 /nfs/dbraw/zinc/39/27/09/212392709.db2.gz FCMWVWHHSYAERL-NSHDSACASA-N 1 1 280.318 3.044 20 30 CGEDMO C[C@H]1[C@H](Nc2ccc(C(F)(F)F)c(C#N)c2)CCC[N@H+]1C ZINC000463497208 242399748 /nfs/dbraw/zinc/39/97/48/242399748.db2.gz TWLPLFOIMCTXAP-IINYFYTJSA-N 1 1 297.324 3.472 20 30 CGEDMO C=CC[N@@H+](C)CC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000121574954 370875931 /nfs/dbraw/zinc/87/59/31/370875931.db2.gz AZUAKMHBLSSKDZ-CQSZACIVSA-N 1 1 282.387 3.135 20 30 CGEDMO C=CC[N@H+](C)CC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000121574954 370875945 /nfs/dbraw/zinc/87/59/45/370875945.db2.gz AZUAKMHBLSSKDZ-CQSZACIVSA-N 1 1 282.387 3.135 20 30 CGEDMO N#Cc1ccc(OCC[N@H+]2CC[C@@H]2Cc2ccccc2)cc1 ZINC000479128391 243094298 /nfs/dbraw/zinc/09/42/98/243094298.db2.gz JLEZQHCXOUPJOB-GOSISDBHSA-N 1 1 292.382 3.254 20 30 CGEDMO CC[N@H+](CCN1CCCCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000122831296 370907379 /nfs/dbraw/zinc/90/73/79/370907379.db2.gz GQOLSIWAXOVJJF-INIZCTEOSA-N 1 1 285.435 3.427 20 30 CGEDMO CC[N@@H+](CCN1CCCCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000122831296 370907381 /nfs/dbraw/zinc/90/73/81/370907381.db2.gz GQOLSIWAXOVJJF-INIZCTEOSA-N 1 1 285.435 3.427 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000126283562 370944050 /nfs/dbraw/zinc/94/40/50/370944050.db2.gz ONVDJTKDWAHIKF-INIZCTEOSA-N 1 1 277.408 3.071 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)C1CCCCC1 ZINC000019846849 368773431 /nfs/dbraw/zinc/77/34/31/368773431.db2.gz JGTZPQCKHJDUKN-UHFFFAOYSA-N 1 1 285.391 3.151 20 30 CGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H]3CCCC[C@@H]32)cc1 ZINC000036826951 369031387 /nfs/dbraw/zinc/03/13/87/369031387.db2.gz GICZXVVCWAKHFB-BPQIPLTHSA-N 1 1 284.403 3.246 20 30 CGEDMO C[C@H](C[NH+]1CCCCC1)N[C@H](C)c1ccc(C#N)cc1 ZINC000037153948 369069320 /nfs/dbraw/zinc/06/93/20/369069320.db2.gz NZBBEQCPJSEHMQ-HUUCEWRRSA-N 1 1 271.408 3.083 20 30 CGEDMO C[N@@H+](CCCOc1ccccc1)Cc1cccc(C#N)c1 ZINC000046518055 369294905 /nfs/dbraw/zinc/29/49/05/369294905.db2.gz WEIZLZRFGZSXPL-UHFFFAOYSA-N 1 1 280.371 3.459 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1ccccc1CC ZINC000048617291 369362067 /nfs/dbraw/zinc/36/20/67/369362067.db2.gz WCEKZSRUOSRSEX-UHFFFAOYSA-N 1 1 260.381 3.086 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1ccccc1CC ZINC000048617291 369362073 /nfs/dbraw/zinc/36/20/73/369362073.db2.gz WCEKZSRUOSRSEX-UHFFFAOYSA-N 1 1 260.381 3.086 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1nc(-c2ccccc2)no1 ZINC000048617359 369362149 /nfs/dbraw/zinc/36/21/49/369362149.db2.gz KROVJOONYMGYFP-UHFFFAOYSA-N 1 1 257.337 3.135 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1nc(-c2ccccc2)no1 ZINC000048617359 369362152 /nfs/dbraw/zinc/36/21/52/369362152.db2.gz KROVJOONYMGYFP-UHFFFAOYSA-N 1 1 257.337 3.135 20 30 CGEDMO CC[N@H+](CCCC(=O)c1ccccc1)C[C@@H](C)C#N ZINC000050153273 369430950 /nfs/dbraw/zinc/43/09/50/369430950.db2.gz GIBAQOZLLKUBBO-AWEZNQCLSA-N 1 1 258.365 3.131 20 30 CGEDMO CC[N@@H+](CCCC(=O)c1ccccc1)C[C@@H](C)C#N ZINC000050153273 369430951 /nfs/dbraw/zinc/43/09/51/369430951.db2.gz GIBAQOZLLKUBBO-AWEZNQCLSA-N 1 1 258.365 3.131 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)Cc1ccc(F)cc1Cl ZINC000128366576 370963203 /nfs/dbraw/zinc/96/32/03/370963203.db2.gz BZJYVUFURWBTNP-CYBMUJFWSA-N 1 1 271.763 3.238 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](CC)[C@@H](C)Cc1ccc(OC)cc1 ZINC000128488068 370964005 /nfs/dbraw/zinc/96/40/05/370964005.db2.gz ZOSTVECZFLQGCA-DOTOQJQBSA-N 1 1 291.435 3.275 20 30 CGEDMO C=CCC[N@H+](C)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000276206158 193242423 /nfs/dbraw/zinc/24/24/23/193242423.db2.gz ZNXZKRYVRYQWIG-UHFFFAOYSA-N 1 1 277.318 3.363 20 30 CGEDMO C=CCC[N@H+](C)CCC(=O)Nc1ccc(Cl)cc1F ZINC000276397053 193314851 /nfs/dbraw/zinc/31/48/51/193314851.db2.gz JWKYMXSNTYTKDP-UHFFFAOYSA-N 1 1 284.762 3.316 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000276521110 193365836 /nfs/dbraw/zinc/36/58/36/193365836.db2.gz YVFLDICPPGVSIN-UHFFFAOYSA-N 1 1 254.717 3.256 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C)cc1C ZINC000276483101 193350109 /nfs/dbraw/zinc/35/01/09/193350109.db2.gz TUKOURIJJOEFAH-AWEZNQCLSA-N 1 1 260.381 3.138 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](O)c1ccc(F)cc1Cl ZINC000276486347 193350980 /nfs/dbraw/zinc/35/09/80/193350980.db2.gz UEWYGZVSEANMJK-CYBMUJFWSA-N 1 1 257.736 3.020 20 30 CGEDMO COc1c(C)c[nH+]c(CN(CCC#N)CCC(C)C)c1C ZINC000072691869 369834785 /nfs/dbraw/zinc/83/47/85/369834785.db2.gz UMZADKHXIGJMLI-UHFFFAOYSA-N 1 1 289.423 3.469 20 30 CGEDMO COc1ccccc1[C@@H]1CCC[N@H+]1CCCSCC#N ZINC000074990158 369894290 /nfs/dbraw/zinc/89/42/90/369894290.db2.gz IRSSDOPKWVRJRH-HNNXBMFYSA-N 1 1 290.432 3.479 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)Cc1ccc(C)s1 ZINC000076342256 369937347 /nfs/dbraw/zinc/93/73/47/369937347.db2.gz YGVKIYQEKCGZTP-AWEZNQCLSA-N 1 1 294.464 3.301 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(C)s1 ZINC000076342256 369937352 /nfs/dbraw/zinc/93/73/52/369937352.db2.gz YGVKIYQEKCGZTP-AWEZNQCLSA-N 1 1 294.464 3.301 20 30 CGEDMO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cnn(C)c1 ZINC000090664967 370063802 /nfs/dbraw/zinc/06/38/02/370063802.db2.gz RAGKQYFNGMVSII-XJKSGUPXSA-N 1 1 268.364 3.116 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC=C(c2cccc(C)c2)CC1 ZINC000092822213 370103652 /nfs/dbraw/zinc/10/36/52/370103652.db2.gz KLVCQEHFGFLYGK-SFHVURJKSA-N 1 1 271.404 3.411 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCc3ccccc3C2)o1 ZINC000093085106 370106643 /nfs/dbraw/zinc/10/66/43/370106643.db2.gz AAPILQXAQBORHF-UHFFFAOYSA-N 1 1 252.317 3.100 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)Cc1c[nH]nc1-c1cccnc1 ZINC000093101251 370110101 /nfs/dbraw/zinc/11/01/01/370110101.db2.gz SXHIAFMBBQGYNS-UHFFFAOYSA-N 1 1 297.406 3.233 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1c[nH]nc1-c1cccnc1 ZINC000093101251 370110104 /nfs/dbraw/zinc/11/01/04/370110104.db2.gz SXHIAFMBBQGYNS-UHFFFAOYSA-N 1 1 297.406 3.233 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C[C@@H](C)O)C(C)C)cc1Cl ZINC000093143372 370112687 /nfs/dbraw/zinc/11/26/87/370112687.db2.gz LHECDGYYXOMQPS-CYBMUJFWSA-N 1 1 297.826 3.496 20 30 CGEDMO C[C@@H]([NH2+][C@@H](CN)C1CCCCC1)c1cccc(C#N)c1 ZINC000423269260 296153226 /nfs/dbraw/zinc/15/32/26/296153226.db2.gz VVHJJVSCDXUHNF-DYVFJYSZSA-N 1 1 271.408 3.116 20 30 CGEDMO C=CC[N@H+](CCOCC(C)C)Cc1cccs1 ZINC000337296235 376200000 /nfs/dbraw/zinc/20/00/00/376200000.db2.gz JKEQNPLNBFEDFD-UHFFFAOYSA-N 1 1 253.411 3.409 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@H](COCC)C1 ZINC000093419166 370127339 /nfs/dbraw/zinc/12/73/39/370127339.db2.gz TZVILTZEHJENNQ-INIZCTEOSA-N 1 1 289.419 3.500 20 30 CGEDMO CCOC[C@@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000093419587 370127605 /nfs/dbraw/zinc/12/76/05/370127605.db2.gz ZVLFESPVEHAXMO-CQSZACIVSA-N 1 1 252.402 3.065 20 30 CGEDMO C=CCCC[N@H+](C)Cc1c[nH]nc1-c1ccccc1 ZINC000093533566 370138852 /nfs/dbraw/zinc/13/88/52/370138852.db2.gz XJVRGBABBAFHSB-UHFFFAOYSA-N 1 1 255.365 3.475 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccc(N2CCCC2)nc1 ZINC000093533588 370138864 /nfs/dbraw/zinc/13/88/64/370138864.db2.gz MCZKILSQCDIWCQ-UHFFFAOYSA-N 1 1 259.397 3.080 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000093643703 370150210 /nfs/dbraw/zinc/15/02/10/370150210.db2.gz KYEMLNYWHOSSQT-WBVHZDCISA-N 1 1 288.435 3.166 20 30 CGEDMO C=CCOc1ccc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000093643703 370150237 /nfs/dbraw/zinc/15/02/37/370150237.db2.gz KYEMLNYWHOSSQT-WBVHZDCISA-N 1 1 288.435 3.166 20 30 CGEDMO C=CCOc1ccc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000093643703 370150242 /nfs/dbraw/zinc/15/02/42/370150242.db2.gz KYEMLNYWHOSSQT-WBVHZDCISA-N 1 1 288.435 3.166 20 30 CGEDMO CC[N@@H+](CCc1nccs1)Cc1cc(C#N)cs1 ZINC000093764691 370157575 /nfs/dbraw/zinc/15/75/75/370157575.db2.gz IBNHUXNFAUUVMC-UHFFFAOYSA-N 1 1 277.418 3.141 20 30 CGEDMO C#CC[N@H+](Cc1cnn(C(C)(C)C)c1)C1CCCC1 ZINC000093819856 370161698 /nfs/dbraw/zinc/16/16/98/370161698.db2.gz XSCHCKPHYYUTBK-UHFFFAOYSA-N 1 1 259.397 3.016 20 30 CGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)CCCC ZINC000097056392 370220772 /nfs/dbraw/zinc/22/07/72/370220772.db2.gz WMIIAKOTCHPNBH-CQSZACIVSA-N 1 1 294.464 3.383 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(=O)oc2cc(C)ccc12 ZINC000098068884 370263157 /nfs/dbraw/zinc/26/31/57/370263157.db2.gz BVQRDCRDORISNS-UHFFFAOYSA-N 1 1 271.360 3.499 20 30 CGEDMO CC[N@H+](CCOc1cc(C)ccc1C)C[C@H](C)C#N ZINC000098134361 370266587 /nfs/dbraw/zinc/26/65/87/370266587.db2.gz HFMFPEDKDUMZJF-CQSZACIVSA-N 1 1 260.381 3.164 20 30 CGEDMO CC[N@@H+](CCOc1cc(C)ccc1C)C[C@H](C)C#N ZINC000098134361 370266593 /nfs/dbraw/zinc/26/65/93/370266593.db2.gz HFMFPEDKDUMZJF-CQSZACIVSA-N 1 1 260.381 3.164 20 30 CGEDMO C=C(C)CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103229284 370321116 /nfs/dbraw/zinc/32/11/16/370321116.db2.gz LRTCDRSGGZSASK-INIZCTEOSA-N 1 1 250.430 3.151 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1nc(-c2ccc(OC)cc2)no1 ZINC000102669974 370308560 /nfs/dbraw/zinc/30/85/60/370308560.db2.gz HEGQBKXENSZLNG-UHFFFAOYSA-N 1 1 287.363 3.143 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1nc(-c2ccc(OC)cc2)no1 ZINC000102669974 370308567 /nfs/dbraw/zinc/30/85/67/370308567.db2.gz HEGQBKXENSZLNG-UHFFFAOYSA-N 1 1 287.363 3.143 20 30 CGEDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1cccc(F)c1C#N ZINC000110024137 370367850 /nfs/dbraw/zinc/36/78/50/370367850.db2.gz QLJANIBXSLELJR-HZSPNIEDSA-N 1 1 289.398 3.476 20 30 CGEDMO Cc1cnn(CCCCC[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000111200043 370393664 /nfs/dbraw/zinc/39/36/64/370393664.db2.gz LICWCRQAXZMRBA-UHFFFAOYSA-N 1 1 296.418 3.366 20 30 CGEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)CC1CCOCC1 ZINC000112697269 370442310 /nfs/dbraw/zinc/44/23/10/370442310.db2.gz JZCSKXVNIWJOMG-UHFFFAOYSA-N 1 1 272.392 3.195 20 30 CGEDMO CC(C)([NH2+]Cc1cccc(C#N)c1)c1nccs1 ZINC000116380068 370558444 /nfs/dbraw/zinc/55/84/44/370558444.db2.gz DRLIJPMQWXTVKG-UHFFFAOYSA-N 1 1 257.362 3.040 20 30 CGEDMO C=CCCC[N@@H+](C)Cc1noc(-c2ccccc2C)n1 ZINC000129652604 370996197 /nfs/dbraw/zinc/99/61/97/370996197.db2.gz HOKHDESMKYWYRG-UHFFFAOYSA-N 1 1 271.364 3.443 20 30 CGEDMO C=CCCC[N@H+](C)Cc1noc(-c2ccccc2C)n1 ZINC000129652604 370996201 /nfs/dbraw/zinc/99/62/01/370996201.db2.gz HOKHDESMKYWYRG-UHFFFAOYSA-N 1 1 271.364 3.443 20 30 CGEDMO C=CCC[C@@H](C)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000130634499 371048234 /nfs/dbraw/zinc/04/82/34/371048234.db2.gz NNFISIUNDXJXLS-OAHLLOKOSA-N 1 1 274.408 3.285 20 30 CGEDMO CC[C@H](c1ccncc1)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000130147235 371013059 /nfs/dbraw/zinc/01/30/59/371013059.db2.gz BFUCQTQBMPLCFP-GOSISDBHSA-N 1 1 295.386 3.415 20 30 CGEDMO C[N@H+](CC#Cc1cccc(Cl)c1)Cc1cccnc1 ZINC000132315638 371165361 /nfs/dbraw/zinc/16/53/61/371165361.db2.gz XRCPZYKFXUDKKG-UHFFFAOYSA-N 1 1 270.763 3.219 20 30 CGEDMO C[N@@H+](CC#Cc1cccc(Cl)c1)Cc1cccnc1 ZINC000132315638 371165364 /nfs/dbraw/zinc/16/53/64/371165364.db2.gz XRCPZYKFXUDKKG-UHFFFAOYSA-N 1 1 270.763 3.219 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000133173621 371233272 /nfs/dbraw/zinc/23/32/72/371233272.db2.gz VCYPFEQYVIKEKG-AWEZNQCLSA-N 1 1 261.340 3.297 20 30 CGEDMO CS[C@H]1CCCC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000134541161 371347921 /nfs/dbraw/zinc/34/79/21/371347921.db2.gz WUTYKAWKVXEHJS-INIZCTEOSA-N 1 1 290.432 3.155 20 30 CGEDMO CC[N@H+]1CCCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000136951477 371488661 /nfs/dbraw/zinc/48/86/61/371488661.db2.gz LNFYVUXMCQJLKB-UHFFFAOYSA-N 1 1 297.324 3.109 20 30 CGEDMO CC[C@H]1C[N@H+](Cc2cc(C#N)ccc2F)CCS1 ZINC000135428576 371426054 /nfs/dbraw/zinc/42/60/54/371426054.db2.gz ULXMXVDQZSGPIJ-ZDUSSCGKSA-N 1 1 264.369 3.025 20 30 CGEDMO CC[C@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CCS1 ZINC000135428576 371426061 /nfs/dbraw/zinc/42/60/61/371426061.db2.gz ULXMXVDQZSGPIJ-ZDUSSCGKSA-N 1 1 264.369 3.025 20 30 CGEDMO C[C@@H]1CCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000154167315 371825414 /nfs/dbraw/zinc/82/54/14/371825414.db2.gz HNPMGCJBVQRMFQ-GFCCVEGCSA-N 1 1 283.293 3.421 20 30 CGEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)CCc1ccccc1 ZINC000344107275 217052424 /nfs/dbraw/zinc/05/24/24/217052424.db2.gz JGYCCIIIXCVKKK-UHFFFAOYSA-N 1 1 294.398 3.249 20 30 CGEDMO CC[C@@H](C)C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344125737 217060563 /nfs/dbraw/zinc/06/05/63/217060563.db2.gz WYSZGTZCMQKYIQ-CQSZACIVSA-N 1 1 260.381 3.053 20 30 CGEDMO CC#CCC[N@H+](CCC)[C@H](C)C(=O)Nc1ccccc1 ZINC000156605611 371987921 /nfs/dbraw/zinc/98/79/21/371987921.db2.gz DNNRPRNPVOIYDN-OAHLLOKOSA-N 1 1 272.392 3.139 20 30 CGEDMO CC[C@@H](CSC)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000290438446 371989790 /nfs/dbraw/zinc/98/97/90/371989790.db2.gz LSORIDCWBKLSGZ-JTQLQIEISA-N 1 1 254.424 3.193 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@H](C)C1(C)CC1 ZINC000156731178 371993234 /nfs/dbraw/zinc/99/32/34/371993234.db2.gz LKNGSFJEUZEYIJ-GFCCVEGCSA-N 1 1 258.365 3.187 20 30 CGEDMO C[C@@H]1C[C@@H](N[C@@H]2CCCCc3cc(C#N)ccc32)CC[NH2+]1 ZINC000423393543 372060214 /nfs/dbraw/zinc/06/02/14/372060214.db2.gz YSHMJTJHBWBREA-RPVQJOFSSA-N 1 1 283.419 3.056 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]1C1CCC1 ZINC000158206784 372060384 /nfs/dbraw/zinc/06/03/84/372060384.db2.gz FJEKSMAURGRPND-INIZCTEOSA-N 1 1 270.376 3.331 20 30 CGEDMO CC[N@@H+](CCC(=O)Nc1cccc(Cl)c1)C[C@@H](C)C#N ZINC000157654171 372031836 /nfs/dbraw/zinc/03/18/36/372031836.db2.gz WWJMNZPLUIWGPT-LBPRGKRZSA-N 1 1 293.798 3.150 20 30 CGEDMO Cc1cccc(OCC[N@H+](C)CCC(C)(C)C#N)c1 ZINC000157727417 372034891 /nfs/dbraw/zinc/03/48/91/372034891.db2.gz GAKAEUOEYFSKIO-UHFFFAOYSA-N 1 1 260.381 3.246 20 30 CGEDMO C=CCC[C@H](CC)[NH2+][C@H](C)c1noc(COC(C)C)n1 ZINC000290841552 372062626 /nfs/dbraw/zinc/06/26/26/372062626.db2.gz IJPSSCGFSWTQBI-OLZOCXBDSA-N 1 1 281.400 3.390 20 30 CGEDMO C[N@@H+](CCc1ccccc1O)Cc1ccc(C#N)cc1F ZINC000344208092 217098388 /nfs/dbraw/zinc/09/83/88/217098388.db2.gz JKJUFKSFHDVIRK-UHFFFAOYSA-N 1 1 284.334 3.077 20 30 CGEDMO CC[C@]1(C)CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000344242495 217114660 /nfs/dbraw/zinc/11/46/60/217114660.db2.gz GCZVFHFVTXLRQN-QGZVFWFLSA-N 1 1 296.374 3.230 20 30 CGEDMO C#CCC(C)(C)C(=O)Nc1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC000291221471 372141160 /nfs/dbraw/zinc/14/11/60/372141160.db2.gz OXLUVINUFDZYTM-UHFFFAOYSA-N 1 1 295.386 3.477 20 30 CGEDMO COCC(C)(C)C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000426421870 372157566 /nfs/dbraw/zinc/15/75/66/372157566.db2.gz UCRHCVUZZNPQJY-DLBZAZTESA-N 1 1 286.419 3.431 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)C(C)C)nc1 ZINC000426557218 372164996 /nfs/dbraw/zinc/16/49/96/372164996.db2.gz DSMJRGPKVZLZBW-MRXNPFEDSA-N 1 1 273.424 3.467 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000426559044 372165185 /nfs/dbraw/zinc/16/51/85/372165185.db2.gz ILHYWYWRVHNLTJ-CQSZACIVSA-N 1 1 260.337 3.444 20 30 CGEDMO C=CCc1cc(C[N@@H+](C)[C@H]2CC2(C)C)cc(OC)c1O ZINC000426558823 372165418 /nfs/dbraw/zinc/16/54/18/372165418.db2.gz WDHKGUJSUTYVCO-HNNXBMFYSA-N 1 1 275.392 3.360 20 30 CGEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNCc1ccc(C#N)cc1F ZINC000344228126 217110043 /nfs/dbraw/zinc/11/00/43/217110043.db2.gz WISJAJDJVAJFTI-OKILXGFUSA-N 1 1 289.398 3.050 20 30 CGEDMO C[C@@H]1CCC[C@H](C)N1CC[NH2+]Cc1ccc(C#N)cc1F ZINC000344228126 217110045 /nfs/dbraw/zinc/11/00/45/217110045.db2.gz WISJAJDJVAJFTI-OKILXGFUSA-N 1 1 289.398 3.050 20 30 CGEDMO CC#CC[N@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000160153417 372218505 /nfs/dbraw/zinc/21/85/05/372218505.db2.gz JNCSKEMOEJYBIR-AWEZNQCLSA-N 1 1 299.349 3.078 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CCN1CCc2ccccc21 ZINC000428984302 372297059 /nfs/dbraw/zinc/29/70/59/372297059.db2.gz HOFTZAZUEKRLCH-INIZCTEOSA-N 1 1 256.393 3.090 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428810569 372265855 /nfs/dbraw/zinc/26/58/55/372265855.db2.gz YKWVTRSESMLJMB-GOEBONIOSA-N 1 1 285.391 3.151 20 30 CGEDMO Cc1cccc(C)c1OCCC[N@@H+](C)[C@@H](C)CC#N ZINC000161929196 372360203 /nfs/dbraw/zinc/36/02/03/372360203.db2.gz IHDNNRJOBYAPMW-HNNXBMFYSA-N 1 1 260.381 3.306 20 30 CGEDMO Cc1cccc(C)c1OCCC[N@H+](C)[C@@H](C)CC#N ZINC000161929196 372360211 /nfs/dbraw/zinc/36/02/11/372360211.db2.gz IHDNNRJOBYAPMW-HNNXBMFYSA-N 1 1 260.381 3.306 20 30 CGEDMO C=CCC(C)(C)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000429838496 372379590 /nfs/dbraw/zinc/37/95/90/372379590.db2.gz OUPDDHSRNWZPAS-UHFFFAOYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cnc(-c2ccccc2OC)nc1 ZINC000430074479 372383122 /nfs/dbraw/zinc/38/31/22/372383122.db2.gz CMDBLMJVDPXOIE-UHFFFAOYSA-N 1 1 283.375 3.160 20 30 CGEDMO Cc1ccccc1N1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000162446997 372396422 /nfs/dbraw/zinc/39/64/22/372396422.db2.gz MDYRLSIIQNRVAB-UHFFFAOYSA-N 1 1 297.427 3.250 20 30 CGEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)C1(C)C ZINC000344370237 217173096 /nfs/dbraw/zinc/17/30/96/217173096.db2.gz QSCHYWHWYCFSJV-HZPDHXFCSA-N 1 1 290.382 3.333 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)c1cc(C(=O)OC)c(C)o1 ZINC000432819383 372573532 /nfs/dbraw/zinc/57/35/32/372573532.db2.gz XIVVUSIQGYLVCD-LLVKDONJSA-N 1 1 265.353 3.334 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H](O)C(C)C ZINC000432936367 372575872 /nfs/dbraw/zinc/57/58/72/372575872.db2.gz FWMISJJGVOQMFD-GFCCVEGCSA-N 1 1 273.829 3.406 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1cccc(Cl)c1)CC(C)(C)C#N ZINC000433301063 372585168 /nfs/dbraw/zinc/58/51/68/372585168.db2.gz UYKWWKBESZKALA-UHFFFAOYSA-N 1 1 293.798 3.150 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCC(=O)Nc1cccc(F)c1C ZINC000434234865 372664557 /nfs/dbraw/zinc/66/45/57/372664557.db2.gz SJEXERDROOSWAT-UHFFFAOYSA-N 1 1 278.371 3.361 20 30 CGEDMO C=CC(C)(C)C(=O)Nc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000294985714 372684180 /nfs/dbraw/zinc/68/41/80/372684180.db2.gz PZJJZPBUIUKVGN-UHFFFAOYSA-N 1 1 293.436 3.060 20 30 CGEDMO C=CC(C)(C)C(=O)Nc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000294985714 372684185 /nfs/dbraw/zinc/68/41/85/372684185.db2.gz PZJJZPBUIUKVGN-UHFFFAOYSA-N 1 1 293.436 3.060 20 30 CGEDMO COCc1cccc(C[N@H+](C)Cc2cc(C#N)ccc2F)c1 ZINC000434990656 372724677 /nfs/dbraw/zinc/72/46/77/372724677.db2.gz IJXQMMDVJOKHFN-UHFFFAOYSA-N 1 1 298.361 3.476 20 30 CGEDMO COCc1cccc(C[N@@H+](C)Cc2cc(C#N)ccc2F)c1 ZINC000434990656 372724683 /nfs/dbraw/zinc/72/46/83/372724683.db2.gz IJXQMMDVJOKHFN-UHFFFAOYSA-N 1 1 298.361 3.476 20 30 CGEDMO N#Cc1ccc2c(c1)[C@@H](NCC[NH+]1CCCCCC1)CC2 ZINC000353389360 220058951 /nfs/dbraw/zinc/05/89/51/220058951.db2.gz RPFWCETWYJYDJE-SFHVURJKSA-N 1 1 283.419 3.011 20 30 CGEDMO N#Cc1ccc(C[N@H+](Cc2cccc(O)c2)C2CC2)cc1 ZINC000171928277 372855537 /nfs/dbraw/zinc/85/55/37/372855537.db2.gz MZECGEGYJNAAEO-UHFFFAOYSA-N 1 1 278.355 3.428 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](CC#Cc2ccc(F)cc2)CCS1 ZINC000437565693 372851757 /nfs/dbraw/zinc/85/17/57/372851757.db2.gz DEPBLPXLOYTPPB-MRXNPFEDSA-N 1 1 277.408 3.251 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)CC[C@@H]1CCOC1 ZINC000438097571 372878614 /nfs/dbraw/zinc/87/86/14/372878614.db2.gz RDSBLUYZWQIFJA-OAHLLOKOSA-N 1 1 252.402 3.065 20 30 CGEDMO Clc1cccc(C#CC[N@H+]2CCC[C@H]3COCC[C@@H]32)c1 ZINC000438517185 372969211 /nfs/dbraw/zinc/96/92/11/372969211.db2.gz XZTGLXUYTSERPE-RDJZCZTQSA-N 1 1 289.806 3.192 20 30 CGEDMO C=CC[N@H+](CCC(=O)N1CCC[C@H]1C)Cc1ccccc1 ZINC000438839325 372970071 /nfs/dbraw/zinc/97/00/71/372970071.db2.gz VFBAWIVBYJKFJR-MRXNPFEDSA-N 1 1 286.419 3.076 20 30 CGEDMO CO[C@@H](C)C[N@@H+](CC#Cc1ccccc1Cl)C(C)C ZINC000441167444 372997198 /nfs/dbraw/zinc/99/71/98/372997198.db2.gz MITLOPJFHDICDU-AWEZNQCLSA-N 1 1 279.811 3.437 20 30 CGEDMO C=CC[N@@H+]1CCN(Cc2ccc(C)nc2)C[C@H]1[C@H](C)CC ZINC000441176508 372997230 /nfs/dbraw/zinc/99/72/30/372997230.db2.gz MCHSPNDDQXFLRI-QAPCUYQASA-N 1 1 287.451 3.108 20 30 CGEDMO C=C(C)C[N@@H+]1CCN(Cc2ccccc2OCC)C[C@H]1C ZINC000441363551 373003603 /nfs/dbraw/zinc/00/36/03/373003603.db2.gz JREBHVKKVINSOG-MRXNPFEDSA-N 1 1 288.435 3.168 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@@H]2C2CCC2)ccc1C#N ZINC000442883525 373117489 /nfs/dbraw/zinc/11/74/89/373117489.db2.gz HLHFNMNPHXMJPK-MRXNPFEDSA-N 1 1 270.376 3.331 20 30 CGEDMO COCC[C@@H]1CCCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000344890783 217346603 /nfs/dbraw/zinc/34/66/03/217346603.db2.gz LWWLGVMTSLVWRS-ZDUSSCGKSA-N 1 1 278.421 3.258 20 30 CGEDMO CCC[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)CCO1 ZINC000444666165 373226286 /nfs/dbraw/zinc/22/62/86/373226286.db2.gz WLASRAJGCKDRIN-CQSZACIVSA-N 1 1 252.402 3.207 20 30 CGEDMO CCN(CC)C(=O)[C@H]1CCC[N@H+]1CCCCC(C)(C)C#N ZINC000444583107 373203287 /nfs/dbraw/zinc/20/32/87/373203287.db2.gz MGGRGOQUJYSYHC-OAHLLOKOSA-N 1 1 293.455 3.039 20 30 CGEDMO C=CC[C@H]1[N@H+](CCOCC(F)F)CCCC1(C)C ZINC000444782028 373274895 /nfs/dbraw/zinc/27/48/95/373274895.db2.gz IDGMJMUNXYPFCN-GFCCVEGCSA-N 1 1 261.356 3.335 20 30 CGEDMO CC[C@H]1CCCC[C@H]1[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000444676927 373232730 /nfs/dbraw/zinc/23/27/30/373232730.db2.gz OTSJVLSYWZJDRH-DOTOQJQBSA-N 1 1 299.418 3.397 20 30 CGEDMO CC(=O)NC1CCC([N@@H+](C)CCCCC(C)(C)C#N)CC1 ZINC000444685237 373234904 /nfs/dbraw/zinc/23/49/04/373234904.db2.gz RGAXEHVSCNIJOG-UHFFFAOYSA-N 1 1 293.455 3.086 20 30 CGEDMO CC(C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000174194860 373264130 /nfs/dbraw/zinc/26/41/30/373264130.db2.gz CISYWDVTBDPYBH-OAHLLOKOSA-N 1 1 299.418 3.255 20 30 CGEDMO COc1ccc(C[NH2+]C(C)(C)c2nccs2)cc1C#N ZINC000174403199 373307954 /nfs/dbraw/zinc/30/79/54/373307954.db2.gz FQGOBNWEKXRHFA-UHFFFAOYSA-N 1 1 287.388 3.048 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@@]2(CO)CCC)c1 ZINC000446893197 373378746 /nfs/dbraw/zinc/37/87/46/373378746.db2.gz DDCJYFVGVLSZFT-GOSISDBHSA-N 1 1 289.419 3.378 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCCN(c2ccccc2)CC1 ZINC000298746541 373398409 /nfs/dbraw/zinc/39/84/09/373398409.db2.gz SBSWCVMFUVHKJD-UHFFFAOYSA-N 1 1 291.398 3.271 20 30 CGEDMO CCC[C@@]1(COC)CCC[N@H+]1CC#Cc1ccccc1 ZINC000447395493 373433077 /nfs/dbraw/zinc/43/30/77/373433077.db2.gz SPSRSCNNRNANHD-SFHVURJKSA-N 1 1 271.404 3.319 20 30 CGEDMO CCC[N@@H+](CCCCCCO)Cc1ccc(C#N)cc1 ZINC000175746515 373511903 /nfs/dbraw/zinc/51/19/03/373511903.db2.gz YUVFSIJZWCCTGR-UHFFFAOYSA-N 1 1 274.408 3.323 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@H]1CCCCO1 ZINC000299385511 373524451 /nfs/dbraw/zinc/52/44/51/373524451.db2.gz PJZFPJODPGTBFX-XJKSGUPXSA-N 1 1 258.365 3.120 20 30 CGEDMO C=CCOc1cccc(C[N@H+](C)[C@@H](CO)c2ccccc2)c1 ZINC000449460009 373742896 /nfs/dbraw/zinc/74/28/96/373742896.db2.gz YOQIDIVSAKBMFZ-IBGZPJMESA-N 1 1 297.398 3.417 20 30 CGEDMO C=CCC1(C[NH2+][C@H]2CCN(CC)C[C@H]2C)CCCC1 ZINC000449604036 373833649 /nfs/dbraw/zinc/83/36/49/373833649.db2.gz IVRFDSQPJUMRLJ-CVEARBPZSA-N 1 1 264.457 3.443 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)cc1 ZINC000449620590 373835829 /nfs/dbraw/zinc/83/58/29/373835829.db2.gz VYKZSBGWALUKQI-MRXNPFEDSA-N 1 1 289.419 3.234 20 30 CGEDMO CCO[C@H]1CC[N@@H+](CC(C)(C)CCC#N)C[C@@H]1C ZINC000449489955 373779477 /nfs/dbraw/zinc/77/94/77/373779477.db2.gz BITKCFMLUMEYHW-KBPBESRZSA-N 1 1 252.402 3.063 20 30 CGEDMO CO[C@@H]1C[C@H]([N@@H+](C)CC(C)(C)CCC#N)C12CCC2 ZINC000449635864 373838052 /nfs/dbraw/zinc/83/80/52/373838052.db2.gz VCFZLXIBVRSUIZ-UONOGXRCSA-N 1 1 264.413 3.206 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]2c2ccncc2)c1 ZINC000179119398 373840951 /nfs/dbraw/zinc/84/09/51/373840951.db2.gz RXLRHUFEMFHIBK-QGZVFWFLSA-N 1 1 263.344 3.290 20 30 CGEDMO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1cc(C#N)cs1 ZINC000179709431 373907471 /nfs/dbraw/zinc/90/74/71/373907471.db2.gz GRCQGZSLTRUXCC-HNNXBMFYSA-N 1 1 271.389 3.295 20 30 CGEDMO COCC[N@H+](Cc1ccc(C#N)cc1)CC1CC(F)(F)C1 ZINC000450316129 374054483 /nfs/dbraw/zinc/05/44/83/374054483.db2.gz QQMMRLPALIVOGY-UHFFFAOYSA-N 1 1 294.345 3.052 20 30 CGEDMO N#CC1(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)CCC1 ZINC000450351572 374074692 /nfs/dbraw/zinc/07/46/92/374074692.db2.gz VLSRAAFDEGHPLR-CQSZACIVSA-N 1 1 284.359 3.246 20 30 CGEDMO N#CC1(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)CCC1 ZINC000450351572 374074696 /nfs/dbraw/zinc/07/46/96/374074696.db2.gz VLSRAAFDEGHPLR-CQSZACIVSA-N 1 1 284.359 3.246 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000181150457 374086393 /nfs/dbraw/zinc/08/63/93/374086393.db2.gz IXIADAIYLRSFQH-CQSZACIVSA-N 1 1 267.376 3.074 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000181150457 374086399 /nfs/dbraw/zinc/08/63/99/374086399.db2.gz IXIADAIYLRSFQH-CQSZACIVSA-N 1 1 267.376 3.074 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000181150457 374086402 /nfs/dbraw/zinc/08/64/02/374086402.db2.gz IXIADAIYLRSFQH-CQSZACIVSA-N 1 1 267.376 3.074 20 30 CGEDMO CC(C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000307784001 374152205 /nfs/dbraw/zinc/15/22/05/374152205.db2.gz XCXCGHHVVLSXEX-ZBFHGGJFSA-N 1 1 299.418 3.253 20 30 CGEDMO C[C@H]1Cc2[nH+]cn(CCOc3cccc(C#N)c3)c2C[C@@H]1C ZINC000319764321 374347521 /nfs/dbraw/zinc/34/75/21/374347521.db2.gz NXHAGJVPWRFGHD-KBPBESRZSA-N 1 1 295.386 3.205 20 30 CGEDMO C[C@H](C#N)C[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000183817585 374459961 /nfs/dbraw/zinc/45/99/61/374459961.db2.gz GKRMPUVFCDPNDE-SNVBAGLBSA-N 1 1 259.740 3.137 20 30 CGEDMO CC[C@@H]1C[C@H](C)C[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000330958253 374491634 /nfs/dbraw/zinc/49/16/34/374491634.db2.gz WLIYUMROMKBLHS-DZGCQCFKSA-N 1 1 285.391 3.007 20 30 CGEDMO CC[C@H]1C[C@H](C)C[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000330956643 374492131 /nfs/dbraw/zinc/49/21/31/374492131.db2.gz VABIQMUCZHBJPQ-AAEUAGOBSA-N 1 1 291.420 3.069 20 30 CGEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C(C)(C)C1 ZINC000331022724 374497396 /nfs/dbraw/zinc/49/73/96/374497396.db2.gz ZJADWTLRFVTPCI-ZDUSSCGKSA-N 1 1 285.391 3.007 20 30 CGEDMO C=C(C)CN1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000185437424 374662716 /nfs/dbraw/zinc/66/27/16/374662716.db2.gz BSBPEYKOXZJNNJ-CYBMUJFWSA-N 1 1 250.411 3.003 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186438853 374851938 /nfs/dbraw/zinc/85/19/38/374851938.db2.gz BEKDDOCYNHRZNN-IBGZPJMESA-N 1 1 290.366 3.190 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@H]1CCCc2cc(OC)ccc21 ZINC000472750817 375031622 /nfs/dbraw/zinc/03/16/22/375031622.db2.gz LHJAVHOOWHJNHZ-YJBOKZPZSA-N 1 1 289.419 3.332 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCCC2(CCCCC2)C1 ZINC000472733133 375032256 /nfs/dbraw/zinc/03/22/56/375032256.db2.gz HLVXBYQPAPZCDZ-OAHLLOKOSA-N 1 1 251.414 3.360 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC000472766702 375034047 /nfs/dbraw/zinc/03/40/47/375034047.db2.gz HEPAHOXCLVTOOM-IAGOWNOFSA-N 1 1 259.393 3.459 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000472777914 375034201 /nfs/dbraw/zinc/03/42/01/375034201.db2.gz VBACEGQLDHNFFX-CVEARBPZSA-N 1 1 251.414 3.358 20 30 CGEDMO CCOC[C@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000187115046 374973336 /nfs/dbraw/zinc/97/33/36/374973336.db2.gz RZDZLMZLDDBEKZ-LBPRGKRZSA-N 1 1 278.783 3.070 20 30 CGEDMO CCOC[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000187115046 374973339 /nfs/dbraw/zinc/97/33/39/374973339.db2.gz RZDZLMZLDDBEKZ-LBPRGKRZSA-N 1 1 278.783 3.070 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H](C)C1 ZINC000187973056 375130184 /nfs/dbraw/zinc/13/01/84/375130184.db2.gz YHWXSNVEGBPORY-CYBMUJFWSA-N 1 1 258.365 3.189 20 30 CGEDMO C=CCCCC(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000479639300 375154460 /nfs/dbraw/zinc/15/44/60/375154460.db2.gz SJIUPGRZSBVYQI-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCSCC[NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000188174224 375170238 /nfs/dbraw/zinc/17/02/38/375170238.db2.gz AWAVQYJSTOBAGM-AWEZNQCLSA-N 1 1 291.395 3.147 20 30 CGEDMO C[C@H](CO)[N@@H+](CC#Cc1cccc(Cl)c1)CC1CCC1 ZINC000483164790 375176272 /nfs/dbraw/zinc/17/62/72/375176272.db2.gz AGTBLCWZQUYTBZ-CQSZACIVSA-N 1 1 291.822 3.174 20 30 CGEDMO CCOC[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000487864220 375278775 /nfs/dbraw/zinc/27/87/75/375278775.db2.gz YJNMZEFRIFFILM-INIZCTEOSA-N 1 1 272.392 3.115 20 30 CGEDMO C#CC[N@@H+](C)CCCCCn1c(C)nc2ccccc21 ZINC000491314157 375326207 /nfs/dbraw/zinc/32/62/07/375326207.db2.gz DDEOHEOSNBKHDP-UHFFFAOYSA-N 1 1 269.392 3.080 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000488215904 375306994 /nfs/dbraw/zinc/30/69/94/375306994.db2.gz ICCVDHLUUFRAPU-CQSZACIVSA-N 1 1 267.413 3.396 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(F)c1 ZINC000489432632 375318100 /nfs/dbraw/zinc/31/81/00/375318100.db2.gz QVYUTNBUEGPPKE-HNNXBMFYSA-N 1 1 276.355 3.195 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000335751706 375399691 /nfs/dbraw/zinc/39/96/91/375399691.db2.gz MHOLAXOWQMCGRS-FQEVSTJZSA-N 1 1 289.378 3.170 20 30 CGEDMO C[C@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000335825721 375462161 /nfs/dbraw/zinc/46/21/61/375462161.db2.gz QVRMTIUPKGXMGM-GXFFZTMASA-N 1 1 285.313 3.060 20 30 CGEDMO CCCC[N@@H+](CCCO)[C@@H](C)c1cccc(C#N)c1 ZINC000190003456 375467960 /nfs/dbraw/zinc/46/79/60/375467960.db2.gz DAEIACKUDVXIGH-AWEZNQCLSA-N 1 1 260.381 3.104 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@@](CC)(CO)C2)c1 ZINC000190234216 375486286 /nfs/dbraw/zinc/48/62/86/375486286.db2.gz NAFKPNLIQUVGSX-GOSISDBHSA-N 1 1 289.419 3.236 20 30 CGEDMO C=CCC[C@H](C(=O)N[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000495124615 375498229 /nfs/dbraw/zinc/49/82/29/375498229.db2.gz WVVUWYTWQOMLNA-WMZOPIPTSA-N 1 1 298.430 3.089 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495587733 375500069 /nfs/dbraw/zinc/50/00/69/375500069.db2.gz IJQOAJBPULWKPY-MRXNPFEDSA-N 1 1 282.428 3.189 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000495867155 375502207 /nfs/dbraw/zinc/50/22/07/375502207.db2.gz QHUWOSWEUIERIY-ZIAGYGMSSA-N 1 1 282.428 3.140 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccccc1C(C)(C)C#N ZINC000191136831 375583685 /nfs/dbraw/zinc/58/36/85/375583685.db2.gz WJIKYRZRMUPXMQ-UHFFFAOYSA-N 1 1 272.392 3.122 20 30 CGEDMO Cn1cc(C[N@H+]2CCSC3(CCCCC3)C2)cc1C#N ZINC000191409219 375624147 /nfs/dbraw/zinc/62/41/47/375624147.db2.gz OZSIMVJHQLGMND-UHFFFAOYSA-N 1 1 289.448 3.148 20 30 CGEDMO Cn1cc(C[N@@H+](Cc2cccc(F)c2)C2CC2)cc1C#N ZINC000191224343 375598936 /nfs/dbraw/zinc/59/89/36/375598936.db2.gz DXHFNLBZJUZAJV-UHFFFAOYSA-N 1 1 283.350 3.200 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000336002316 375608282 /nfs/dbraw/zinc/60/82/82/375608282.db2.gz OVACUWHCXQCDMH-UHFFFAOYSA-N 1 1 275.355 3.243 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCC=C(c2cccnc2)C1 ZINC000336002316 375608289 /nfs/dbraw/zinc/60/82/89/375608289.db2.gz OVACUWHCXQCDMH-UHFFFAOYSA-N 1 1 275.355 3.243 20 30 CGEDMO C=CCOc1ccc(CN2CCC[N@H+](C(C)C)CC2)cc1 ZINC000505296511 375656993 /nfs/dbraw/zinc/65/69/93/375656993.db2.gz VYEBJCUFCKXKBG-UHFFFAOYSA-N 1 1 288.435 3.168 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](CC)Cc1cccs1 ZINC000192614531 375771760 /nfs/dbraw/zinc/77/17/60/375771760.db2.gz HEEQNDRWJHJFPL-CQSZACIVSA-N 1 1 292.448 3.159 20 30 CGEDMO C=CCCCCCNC(=O)N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000514871514 375806969 /nfs/dbraw/zinc/80/69/69/375806969.db2.gz PQVOMJDDMZTKGF-INIZCTEOSA-N 1 1 295.471 3.106 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000511755505 375792138 /nfs/dbraw/zinc/79/21/38/375792138.db2.gz LGXRMINBHDZPHG-FGTMMUONSA-N 1 1 298.430 3.431 20 30 CGEDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000336572880 375841274 /nfs/dbraw/zinc/84/12/74/375841274.db2.gz DXUJIWTWZFUOIK-BXKDBHETSA-N 1 1 286.272 3.470 20 30 CGEDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC000336572880 375841279 /nfs/dbraw/zinc/84/12/79/375841279.db2.gz DXUJIWTWZFUOIK-BXKDBHETSA-N 1 1 286.272 3.470 20 30 CGEDMO COC[C@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000193277217 375850831 /nfs/dbraw/zinc/85/08/31/375850831.db2.gz HTBLGVPFMPGZQL-HNNXBMFYSA-N 1 1 290.750 3.282 20 30 CGEDMO C[C@@H]1[N@@H+](Cc2ccc(C#N)c(F)c2)CCC12CCOCC2 ZINC000336620823 375882949 /nfs/dbraw/zinc/88/29/49/375882949.db2.gz TVWSAUHSDWIQMT-ZDUSSCGKSA-N 1 1 288.366 3.088 20 30 CGEDMO CC(C)(C)[C@H]1CCC[N@@H+](C[C@H](O)CC2(C#N)CC2)CC1 ZINC000528384643 375900065 /nfs/dbraw/zinc/90/00/65/375900065.db2.gz SZTUAVJLTOPGMP-LSDHHAIUSA-N 1 1 278.440 3.189 20 30 CGEDMO CC[N@@H+](CCC[C@H](C)O)[C@@H](C)c1ccc(C#N)cc1 ZINC000336817415 375972220 /nfs/dbraw/zinc/97/22/20/375972220.db2.gz QGZVUEMEQQNMDW-KBPBESRZSA-N 1 1 260.381 3.102 20 30 CGEDMO C=CCN1CC[C@H]([N@H+](C)C2CCC(C(C)(C)C)CC2)C1=O ZINC000337139817 376094307 /nfs/dbraw/zinc/09/43/07/376094307.db2.gz QLZZQKYCVHJACE-GPANFISMSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCO[C@@H](CCC)C2)c1 ZINC000536669980 376117153 /nfs/dbraw/zinc/11/71/53/376117153.db2.gz GTBBCLGPZZWDLL-KRWDZBQOSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCO[C@@H](CCC)C2)c1 ZINC000536669980 376117159 /nfs/dbraw/zinc/11/71/59/376117159.db2.gz GTBBCLGPZZWDLL-KRWDZBQOSA-N 1 1 275.392 3.252 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccccn2)s1 ZINC000535780565 376057597 /nfs/dbraw/zinc/05/75/97/376057597.db2.gz USOADOCXPWJJMA-HNNXBMFYSA-N 1 1 269.373 3.352 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccccn2)s1 ZINC000535780565 376057603 /nfs/dbraw/zinc/05/76/03/376057603.db2.gz USOADOCXPWJJMA-HNNXBMFYSA-N 1 1 269.373 3.352 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)N1CCCc2ccccc21 ZINC000216166604 376158235 /nfs/dbraw/zinc/15/82/35/376158235.db2.gz AUVOLMPTBGMJML-OAHLLOKOSA-N 1 1 286.419 3.252 20 30 CGEDMO C=CC[N@H+](Cc1ccc(O)c2nc(C)ccc12)C1CC1 ZINC000338282532 376312338 /nfs/dbraw/zinc/31/23/38/376312338.db2.gz GMXQDSNVANALMI-UHFFFAOYSA-N 1 1 268.360 3.399 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000539197594 376297313 /nfs/dbraw/zinc/29/73/13/376297313.db2.gz FNZSNIVYFFZZJT-HOTGVXAUSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000539197593 376297405 /nfs/dbraw/zinc/29/74/05/376297405.db2.gz FNZSNIVYFFZZJT-CVEARBPZSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CC[N@H+](CC(=O)NCCCC1CCCCC1)C1CC1 ZINC000540060088 376356101 /nfs/dbraw/zinc/35/61/01/376356101.db2.gz VSMSEHXBOOXIAV-UHFFFAOYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@@H+](CC(=O)NCCCC1CCCCC1)C1CC1 ZINC000540060088 376356107 /nfs/dbraw/zinc/35/61/07/376356107.db2.gz VSMSEHXBOOXIAV-UHFFFAOYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000540348925 376371644 /nfs/dbraw/zinc/37/16/44/376371644.db2.gz CKSCWLLBQRTJEK-KBPBESRZSA-N 1 1 267.413 3.395 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CCC2(CCCC2)O1 ZINC000229315972 376463018 /nfs/dbraw/zinc/46/30/18/376463018.db2.gz FAMMCQHKHSKBKL-KRWDZBQOSA-N 1 1 284.403 3.482 20 30 CGEDMO C[C@@H]1C[N@@H+](CCOc2cccc(C#N)c2)[C@H]2CCCC[C@H]12 ZINC000542969157 376598468 /nfs/dbraw/zinc/59/84/68/376598468.db2.gz LTCFUYAOYALHSR-OLMNPRSZSA-N 1 1 284.403 3.448 20 30 CGEDMO CC[N@H+](C/C=C\c1ccc(F)cc1F)C[C@@H](C)C#N ZINC000542705096 376572362 /nfs/dbraw/zinc/57/23/62/376572362.db2.gz OGETXQMCNGVTTR-RXNFCKPNSA-N 1 1 264.319 3.460 20 30 CGEDMO CC[N@@H+](C/C=C\c1ccc(F)cc1F)C[C@@H](C)C#N ZINC000542705096 376572373 /nfs/dbraw/zinc/57/23/73/376572373.db2.gz OGETXQMCNGVTTR-RXNFCKPNSA-N 1 1 264.319 3.460 20 30 CGEDMO C[C@H]1CCC[N@@H+](CCCCNc2ccc(C#N)cc2)C1 ZINC000339027900 376636522 /nfs/dbraw/zinc/63/65/22/376636522.db2.gz UBUAQUJZYGDNRK-HNNXBMFYSA-N 1 1 271.408 3.482 20 30 CGEDMO C=CC[N@H+](Cc1ccc(C(=O)OC)[nH]1)CC1CCCCC1 ZINC000543783266 376677374 /nfs/dbraw/zinc/67/73/74/376677374.db2.gz XUGBXDGWTUWATE-UHFFFAOYSA-N 1 1 290.407 3.370 20 30 CGEDMO C=CC[NH+](CC=C)[C@@H](CNCc1ccc(C)o1)C(C)C ZINC000236678524 376680344 /nfs/dbraw/zinc/68/03/44/376680344.db2.gz KBQWBFBNKDHPQX-KRWDZBQOSA-N 1 1 276.424 3.376 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000544440129 376737521 /nfs/dbraw/zinc/73/75/21/376737521.db2.gz UKUCQOKWYIASBB-ZNMIVQPWSA-N 1 1 253.430 3.460 20 30 CGEDMO CC(C)[C@@]1(CO)CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000339705253 376817085 /nfs/dbraw/zinc/81/70/85/376817085.db2.gz ZXBXVUDZZQINCI-KRWDZBQOSA-N 1 1 280.456 3.437 20 30 CGEDMO N#Cc1cnc(C[NH2+][C@H](CC2CCC2)c2ccccc2)nc1 ZINC000557258641 376927122 /nfs/dbraw/zinc/92/71/22/376927122.db2.gz ZVRQTFYATOHHES-QGZVFWFLSA-N 1 1 292.386 3.369 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000246185645 376983569 /nfs/dbraw/zinc/98/35/69/376983569.db2.gz USRDYKMMJBJFIB-HZPDHXFCSA-N 1 1 272.417 3.418 20 30 CGEDMO COc1cc(CNc2ccc(C3CCC3)c[nH+]2)ccc1C#N ZINC000559351455 377082642 /nfs/dbraw/zinc/08/26/42/377082642.db2.gz CQDXXZDPKRRVED-UHFFFAOYSA-N 1 1 293.370 3.263 20 30 CGEDMO N#CCC[C@H](C#N)C[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000246829408 377100659 /nfs/dbraw/zinc/10/06/59/377100659.db2.gz XGGVLMJBKJPPBI-CVEARBPZSA-N 1 1 257.381 3.252 20 30 CGEDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1C[C@@H](C#N)CCC#N ZINC000247317132 377194513 /nfs/dbraw/zinc/19/45/13/377194513.db2.gz WSXMARFVZOLVPL-INMHGKMJSA-N 1 1 267.376 3.308 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000247641117 377229019 /nfs/dbraw/zinc/22/90/19/377229019.db2.gz VQUYMTJSOAFZJP-BHYGNILZSA-N 1 1 259.393 3.192 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000247658320 377229632 /nfs/dbraw/zinc/22/96/32/377229632.db2.gz XGRPEMUWUCMIMC-KMFMINBZSA-N 1 1 277.383 3.331 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000247658330 377229938 /nfs/dbraw/zinc/22/99/38/377229938.db2.gz XGRPEMUWUCMIMC-UNEWFSDZSA-N 1 1 277.383 3.331 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2ncccc2O)CCCC1(C)C ZINC000561959684 377257258 /nfs/dbraw/zinc/25/72/58/377257258.db2.gz GHQKBZIZXCSEFA-HNNXBMFYSA-N 1 1 260.381 3.354 20 30 CGEDMO C=CC[C@@H]1[N@H+](Cc2ncccc2O)CCCC1(C)C ZINC000561959684 377257263 /nfs/dbraw/zinc/25/72/63/377257263.db2.gz GHQKBZIZXCSEFA-HNNXBMFYSA-N 1 1 260.381 3.354 20 30 CGEDMO C=C[C@@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000248028262 377258770 /nfs/dbraw/zinc/25/87/70/377258770.db2.gz JVEDOSVZSSKMCT-JQHSSLGASA-N 1 1 298.430 3.041 20 30 CGEDMO COC1CCC([N@@H+](C)Cc2cccc(C#N)c2F)CC1 ZINC000340910303 377317199 /nfs/dbraw/zinc/31/71/99/377317199.db2.gz MLSBUBKJYQRNJO-UHFFFAOYSA-N 1 1 276.355 3.087 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000248144886 377271865 /nfs/dbraw/zinc/27/18/65/377271865.db2.gz ZHVFXBQKYCKMTK-GDBMZVCRSA-N 1 1 295.810 3.120 20 30 CGEDMO CC#CCC[N@@H+]1C[C@H](c2ccccc2C)OC[C@H]1C ZINC000248387943 377304090 /nfs/dbraw/zinc/30/40/90/377304090.db2.gz CLPHPUKCJCBHDE-NVXWUHKLSA-N 1 1 257.377 3.170 20 30 CGEDMO CC#CCC[N@H+]1C[C@H](c2ccccc2C)OC[C@H]1C ZINC000248387943 377304097 /nfs/dbraw/zinc/30/40/97/377304097.db2.gz CLPHPUKCJCBHDE-NVXWUHKLSA-N 1 1 257.377 3.170 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1F)[C@H](CCO)c1ccccc1 ZINC000340895656 377308001 /nfs/dbraw/zinc/30/80/01/377308001.db2.gz NDCZZPDAADNTNO-QGZVFWFLSA-N 1 1 298.361 3.253 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1F)[C@H](CCO)c1ccccc1 ZINC000340895656 377308012 /nfs/dbraw/zinc/30/80/12/377308012.db2.gz NDCZZPDAADNTNO-QGZVFWFLSA-N 1 1 298.361 3.253 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000248398477 377308357 /nfs/dbraw/zinc/30/83/57/377308357.db2.gz UEXGGQHSDJLMJF-UONOGXRCSA-N 1 1 263.406 3.049 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000248643217 377374047 /nfs/dbraw/zinc/37/40/47/377374047.db2.gz YWYRUVWCFNZOEH-RDJZCZTQSA-N 1 1 286.419 3.104 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000248643217 377374050 /nfs/dbraw/zinc/37/40/50/377374050.db2.gz YWYRUVWCFNZOEH-RDJZCZTQSA-N 1 1 286.419 3.104 20 30 CGEDMO COc1ccc(C[C@@H](C)C[N@@H+](C)[C@H](C)CC#N)cc1F ZINC000248925818 377430028 /nfs/dbraw/zinc/43/00/28/377430028.db2.gz FWQFREHLBWESFL-CHWSQXEVSA-N 1 1 278.371 3.247 20 30 CGEDMO CCCC[N@@H+](C)C[C@@H](C)Nc1nc(C)cc(C)c1C#N ZINC000341129354 377411279 /nfs/dbraw/zinc/41/12/79/377411279.db2.gz STDDMGYZPNMLMG-CQSZACIVSA-N 1 1 274.412 3.102 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(OCc2cccnc2)cc1 ZINC000567157226 377504614 /nfs/dbraw/zinc/50/46/14/377504614.db2.gz SFZCTDGETLIWET-QGZVFWFLSA-N 1 1 295.386 3.442 20 30 CGEDMO CC[C@@H]1C[N@@H+]([C@@H](C)c2cccc(C#N)c2)C[C@@H](C)O1 ZINC000249472121 377506205 /nfs/dbraw/zinc/50/62/05/377506205.db2.gz SHUIWLGHMIAEBO-DVOMOZLQSA-N 1 1 258.365 3.119 20 30 CGEDMO CC[C@@H]1C[N@H+]([C@@H](C)c2cccc(C#N)c2)C[C@@H](C)O1 ZINC000249472121 377506211 /nfs/dbraw/zinc/50/62/11/377506211.db2.gz SHUIWLGHMIAEBO-DVOMOZLQSA-N 1 1 258.365 3.119 20 30 CGEDMO CCN1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2C)[C@@H](C)C1 ZINC000249131778 377470146 /nfs/dbraw/zinc/47/01/46/377470146.db2.gz LTUZPOZMDJHCNJ-YJBOKZPZSA-N 1 1 285.435 3.029 20 30 CGEDMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2C)[C@@H](C)C1 ZINC000249131778 377470151 /nfs/dbraw/zinc/47/01/51/377470151.db2.gz LTUZPOZMDJHCNJ-YJBOKZPZSA-N 1 1 285.435 3.029 20 30 CGEDMO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(C#N)cc2C)[C@@H](C)C1 ZINC000249131778 377470157 /nfs/dbraw/zinc/47/01/57/377470157.db2.gz LTUZPOZMDJHCNJ-YJBOKZPZSA-N 1 1 285.435 3.029 20 30 CGEDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(C#N)cc2C)[C@@H](C)C1 ZINC000249131778 377470164 /nfs/dbraw/zinc/47/01/64/377470164.db2.gz LTUZPOZMDJHCNJ-YJBOKZPZSA-N 1 1 285.435 3.029 20 30 CGEDMO Cn1c2ccc(NC[C@H](C#N)CCC#N)cc2[nH+]c1C1CC1 ZINC000565829536 377491014 /nfs/dbraw/zinc/49/10/14/377491014.db2.gz XGKSTMHOOPVWSW-LBPRGKRZSA-N 1 1 293.374 3.306 20 30 CGEDMO N#CCCCOc1cccc(C[N@H+]2CCC[C@H](F)C2)c1 ZINC000566352957 377495374 /nfs/dbraw/zinc/49/53/74/377495374.db2.gz CQYTVEPLUROAOO-HNNXBMFYSA-N 1 1 276.355 3.303 20 30 CGEDMO N#CCCCOc1cccc(C[N@@H+]2CCC[C@H](F)C2)c1 ZINC000566352957 377495388 /nfs/dbraw/zinc/49/53/88/377495388.db2.gz CQYTVEPLUROAOO-HNNXBMFYSA-N 1 1 276.355 3.303 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000566247978 377495586 /nfs/dbraw/zinc/49/55/86/377495586.db2.gz FNFFLEJXMZJRIV-HNNXBMFYSA-N 1 1 287.403 3.395 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000566247978 377495593 /nfs/dbraw/zinc/49/55/93/377495593.db2.gz FNFFLEJXMZJRIV-HNNXBMFYSA-N 1 1 287.403 3.395 20 30 CGEDMO C=CCCCN(C)C(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000566412464 377496838 /nfs/dbraw/zinc/49/68/38/377496838.db2.gz GGFVJHPFOPZNDQ-OAHLLOKOSA-N 1 1 294.826 3.367 20 30 CGEDMO C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)CC(C)(C)O ZINC000265147151 190161332 /nfs/dbraw/zinc/16/13/32/190161332.db2.gz RTNYZYLJOOSBSH-UHFFFAOYSA-N 1 1 294.398 3.428 20 30 CGEDMO C[C@H]1C[N@@H+](CCCCC(C)(C)C#N)CC2(CCC2)O1 ZINC000570448844 377536977 /nfs/dbraw/zinc/53/69/77/377536977.db2.gz VDCSOQDULDAMCG-AWEZNQCLSA-N 1 1 264.413 3.350 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H](O)C(C)(C)C ZINC000572623091 377549267 /nfs/dbraw/zinc/54/92/67/377549267.db2.gz ODFCTGRWTQHBRI-INIZCTEOSA-N 1 1 277.408 3.090 20 30 CGEDMO C[N@H+]1CCN(CCCC(C)(C)C#N)CC12CCCCC2 ZINC000573106203 377555096 /nfs/dbraw/zinc/55/50/96/377555096.db2.gz RFPYPWIFAXYGSG-UHFFFAOYSA-N 1 1 277.456 3.267 20 30 CGEDMO CN1CC[N@H+](CCCC(C)(C)C#N)CC12CCCCC2 ZINC000573106203 377555104 /nfs/dbraw/zinc/55/51/04/377555104.db2.gz RFPYPWIFAXYGSG-UHFFFAOYSA-N 1 1 277.456 3.267 20 30 CGEDMO CN1CC[N@@H+](CCCC(C)(C)C#N)CC12CCCCC2 ZINC000573106203 377555117 /nfs/dbraw/zinc/55/51/17/377555117.db2.gz RFPYPWIFAXYGSG-UHFFFAOYSA-N 1 1 277.456 3.267 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000490549008 249173647 /nfs/dbraw/zinc/17/36/47/249173647.db2.gz URLYMQXDCPOPKB-UONOGXRCSA-N 1 1 294.402 3.189 20 30 CGEDMO Cc1ccnc([C@H]2CC[N@H+](Cc3ccc(F)cc3C#N)C2)c1 ZINC000516086910 249225008 /nfs/dbraw/zinc/22/50/08/249225008.db2.gz XJCUBUFHOAQHKY-HNNXBMFYSA-N 1 1 295.361 3.390 20 30 CGEDMO Cc1ccnc([C@H]2CC[N@@H+](Cc3ccc(F)cc3C#N)C2)c1 ZINC000516086910 249225011 /nfs/dbraw/zinc/22/50/11/249225011.db2.gz XJCUBUFHOAQHKY-HNNXBMFYSA-N 1 1 295.361 3.390 20 30 CGEDMO COc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)[C@H]2C)cc1C#N ZINC000253100027 377676126 /nfs/dbraw/zinc/67/61/26/377676126.db2.gz PPQCRXBZWANKEN-HZSPNIEDSA-N 1 1 272.392 3.433 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000342722819 377756165 /nfs/dbraw/zinc/75/61/65/377756165.db2.gz BGVNFHDRHSFAPU-SNVBAGLBSA-N 1 1 284.762 3.314 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1cccc(OC(F)F)c1 ZINC000343588588 378030619 /nfs/dbraw/zinc/03/06/19/378030619.db2.gz UKFCAUOWQPDXMV-SNVBAGLBSA-N 1 1 266.291 3.242 20 30 CGEDMO COc1ccc(C[N@H+]2CC(C)(C)[C@H]2C(C)C)cc1C#N ZINC000578177871 378043664 /nfs/dbraw/zinc/04/36/64/378043664.db2.gz ODKQVXLWKOZZQC-MRXNPFEDSA-N 1 1 272.392 3.433 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](CCOC)[C@@H](C)c1ccccc1 ZINC000268532188 378071029 /nfs/dbraw/zinc/07/10/29/378071029.db2.gz IVCUJUCAQOSDJT-DOTOQJQBSA-N 1 1 277.408 3.023 20 30 CGEDMO CC[N@H+](C/C=C/c1ccc(F)c(F)c1)C[C@@H](C)C#N ZINC000578918691 378114044 /nfs/dbraw/zinc/11/40/44/378114044.db2.gz LBKCTOUXMOLBRY-ITKZLYELSA-N 1 1 264.319 3.460 20 30 CGEDMO CC[N@@H+](C/C=C/c1ccc(F)c(F)c1)C[C@@H](C)C#N ZINC000578918691 378114049 /nfs/dbraw/zinc/11/40/49/378114049.db2.gz LBKCTOUXMOLBRY-ITKZLYELSA-N 1 1 264.319 3.460 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)C[C@H](O)C(C)(C)C ZINC000343974445 378148803 /nfs/dbraw/zinc/14/88/03/378148803.db2.gz QYDBIRJLFBRRCR-ZDUSSCGKSA-N 1 1 253.411 3.143 20 30 CGEDMO C=CCOCCC[N@H+]1CCc2sc(Cl)cc2C1 ZINC000579469933 378162548 /nfs/dbraw/zinc/16/25/48/378162548.db2.gz TZPFGEQDYDMZAN-UHFFFAOYSA-N 1 1 271.813 3.352 20 30 CGEDMO C=CCOCCC[N@@H+]1CCc2sc(Cl)cc2C1 ZINC000579469933 378162554 /nfs/dbraw/zinc/16/25/54/378162554.db2.gz TZPFGEQDYDMZAN-UHFFFAOYSA-N 1 1 271.813 3.352 20 30 CGEDMO C=CCCN1CC[N@@H+](CCC=C)[C@H]([C@@H](C)CC)C1 ZINC000269930962 378284160 /nfs/dbraw/zinc/28/41/60/378284160.db2.gz HJVCHKFIMYRJSI-HOTGVXAUSA-N 1 1 250.430 3.171 20 30 CGEDMO C=CCCN1CC[N@@H+](CCC=C)C[C@H]1[C@@H](C)CC ZINC000269930962 378284165 /nfs/dbraw/zinc/28/41/65/378284165.db2.gz HJVCHKFIMYRJSI-HOTGVXAUSA-N 1 1 250.430 3.171 20 30 CGEDMO C=CCCN1CC[N@H+](CCC=C)C[C@H]1[C@@H](C)CC ZINC000269930962 378284168 /nfs/dbraw/zinc/28/41/68/378284168.db2.gz HJVCHKFIMYRJSI-HOTGVXAUSA-N 1 1 250.430 3.171 20 30 CGEDMO C=C[C@H](CC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1 ZINC000270241383 378325662 /nfs/dbraw/zinc/32/56/62/378325662.db2.gz LEMSADVFZQTTTQ-KBAYOESNSA-N 1 1 298.430 3.089 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000583848959 378351952 /nfs/dbraw/zinc/35/19/52/378351952.db2.gz JYCQTVQAXJOVFF-UHFFFAOYSA-N 1 1 254.255 3.099 20 30 CGEDMO CC[C@@H](CC#N)N[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000583935150 378359252 /nfs/dbraw/zinc/35/92/52/378359252.db2.gz RWJQEISCQWNIAG-ROUUACIJSA-N 1 1 297.446 3.465 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595507114 378402565 /nfs/dbraw/zinc/40/25/65/378402565.db2.gz KBOMCSRUPSHWDA-QAPCUYQASA-N 1 1 283.419 3.037 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000595507114 378402593 /nfs/dbraw/zinc/40/25/93/378402593.db2.gz KBOMCSRUPSHWDA-QAPCUYQASA-N 1 1 283.419 3.037 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000595507114 378402597 /nfs/dbraw/zinc/40/25/97/378402597.db2.gz KBOMCSRUPSHWDA-QAPCUYQASA-N 1 1 283.419 3.037 20 30 CGEDMO CC(C)C[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000584472948 378386895 /nfs/dbraw/zinc/38/68/95/378386895.db2.gz LCSSONJSKWLPIP-HNNXBMFYSA-N 1 1 287.363 3.477 20 30 CGEDMO C#CCCC[N@H+](C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000271058479 378443349 /nfs/dbraw/zinc/44/33/49/378443349.db2.gz RVSMZPLJUFFSSX-UHFFFAOYSA-N 1 1 283.318 3.142 20 30 CGEDMO C[C@@H](C#N)C[N@H+](C)Cc1cccc(-c2cccnc2)c1 ZINC000271142337 378460802 /nfs/dbraw/zinc/46/08/02/378460802.db2.gz VVQOGDGZWMVNPW-AWEZNQCLSA-N 1 1 265.360 3.340 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C)Cc1cccc(-c2cccnc2)c1 ZINC000271142337 378460805 /nfs/dbraw/zinc/46/08/05/378460805.db2.gz VVQOGDGZWMVNPW-AWEZNQCLSA-N 1 1 265.360 3.340 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000270976027 378420214 /nfs/dbraw/zinc/42/02/14/378420214.db2.gz BLLUUPIQHLVFRL-KBPBESRZSA-N 1 1 263.406 3.049 20 30 CGEDMO COCc1ccc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)o1 ZINC000271035832 378433158 /nfs/dbraw/zinc/43/31/58/378433158.db2.gz FZKLVDJAQURXND-UHFFFAOYSA-N 1 1 296.370 3.462 20 30 CGEDMO COCc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)o1 ZINC000271035832 378433162 /nfs/dbraw/zinc/43/31/62/378433162.db2.gz FZKLVDJAQURXND-UHFFFAOYSA-N 1 1 296.370 3.462 20 30 CGEDMO Cc1noc(C)c1C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271932768 378523055 /nfs/dbraw/zinc/52/30/55/378523055.db2.gz JBKPIWDZOIUMKG-VIFPVBQESA-N 1 1 273.311 3.153 20 30 CGEDMO C[C@@H]([NH2+]C1CCN(C2CCC2)CC1)c1cccc(C#N)c1 ZINC000271845765 378510661 /nfs/dbraw/zinc/51/06/61/378510661.db2.gz HUIQBWYRTFHCRZ-CQSZACIVSA-N 1 1 283.419 3.226 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)C[C@H](O)c1ccc(F)cc1 ZINC000272287994 378605856 /nfs/dbraw/zinc/60/58/56/378605856.db2.gz NUIHRHIJPUAMKN-KRWDZBQOSA-N 1 1 289.350 3.183 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1cnccc1OC ZINC000346828347 378693246 /nfs/dbraw/zinc/69/32/46/378693246.db2.gz PVOSFFHCXNVCDP-UHFFFAOYSA-N 1 1 282.387 3.321 20 30 CGEDMO C=CC[N@@H+](CCOC1CCC1)Cc1cccs1 ZINC000346874487 378694182 /nfs/dbraw/zinc/69/41/82/378694182.db2.gz VAOOXXSAISVDFP-UHFFFAOYSA-N 1 1 251.395 3.305 20 30 CGEDMO CC[C@H](c1ccccc1)[N@@H+](CC)CC(=O)NC1(C#N)CCC1 ZINC000346868811 378694951 /nfs/dbraw/zinc/69/49/51/378694951.db2.gz IEYKZDAREWVYQW-MRXNPFEDSA-N 1 1 299.418 3.022 20 30 CGEDMO C#CCC[N@@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000272767653 378700437 /nfs/dbraw/zinc/70/04/37/378700437.db2.gz AIZVBUKRGFNVSZ-AWEZNQCLSA-N 1 1 283.293 3.102 20 30 CGEDMO C#CCC[N@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000272767653 378700440 /nfs/dbraw/zinc/70/04/40/378700440.db2.gz AIZVBUKRGFNVSZ-AWEZNQCLSA-N 1 1 283.293 3.102 20 30 CGEDMO C=CCOCCC[N@H+](C)[C@H]1CCCc2nc(C)sc21 ZINC000348041994 378762998 /nfs/dbraw/zinc/76/29/98/378762998.db2.gz FMAPRVCBXXXTIJ-AWEZNQCLSA-N 1 1 280.437 3.353 20 30 CGEDMO C=CCOCCC[N@H+](C)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000348059118 378770894 /nfs/dbraw/zinc/77/08/94/378770894.db2.gz VUCSOOLNJXWNNP-HOTGVXAUSA-N 1 1 281.440 3.249 20 30 CGEDMO CC(C)C[N@@H+](CCOC(C)C)Cc1ccc(C#N)cc1 ZINC000346784675 218012345 /nfs/dbraw/zinc/01/23/45/218012345.db2.gz YBOGMGJVFUFJQV-UHFFFAOYSA-N 1 1 274.408 3.441 20 30 CGEDMO C=C(CC)C[N@@H+]1CCC[C@@H]1c1nc(C(=O)OC)c(C)s1 ZINC000348305990 378897342 /nfs/dbraw/zinc/89/73/42/378897342.db2.gz LJTFDPWUBAZREJ-GFCCVEGCSA-N 1 1 294.420 3.341 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@@H]1c1nc(C(=O)OC)c(C)s1 ZINC000348305990 378897347 /nfs/dbraw/zinc/89/73/47/378897347.db2.gz LJTFDPWUBAZREJ-GFCCVEGCSA-N 1 1 294.420 3.341 20 30 CGEDMO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cccnc2)cc1C#N ZINC000346968891 218072402 /nfs/dbraw/zinc/07/24/02/218072402.db2.gz FPZHUOKDDHHTFC-QGZVFWFLSA-N 1 1 293.370 3.299 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2)cc1C#N ZINC000346968891 218072403 /nfs/dbraw/zinc/07/24/03/218072403.db2.gz FPZHUOKDDHHTFC-QGZVFWFLSA-N 1 1 293.370 3.299 20 30 CGEDMO C=CCOCCC[N@H+](C)Cc1ccccc1SC ZINC000348327700 378911257 /nfs/dbraw/zinc/91/12/57/378911257.db2.gz JSQTWHWNPGPWMW-UHFFFAOYSA-N 1 1 265.422 3.433 20 30 CGEDMO Cn1cc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)cc1C#N ZINC000276740503 378989591 /nfs/dbraw/zinc/98/95/91/378989591.db2.gz IWVLQZQOCRTZQW-OAHLLOKOSA-N 1 1 283.350 3.025 20 30 CGEDMO C#CC[C@@H]([NH2+][C@H](C)c1cc(C(=O)OC)co1)c1ccccc1 ZINC000278626717 194074496 /nfs/dbraw/zinc/07/44/96/194074496.db2.gz GPBZAWQAUIOPEZ-CZUORRHYSA-N 1 1 297.354 3.481 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)c(F)c1 ZINC000370722453 379060213 /nfs/dbraw/zinc/06/02/13/379060213.db2.gz SIIIBXZSTTVNFM-INIZCTEOSA-N 1 1 295.361 3.157 20 30 CGEDMO CCCCOCC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000348987093 379130064 /nfs/dbraw/zinc/13/00/64/379130064.db2.gz DMTNEYJSQYFOKZ-UHFFFAOYSA-N 1 1 272.392 3.339 20 30 CGEDMO C=CC[C@H]1[N@H+](Cc2ccc(CO)o2)CCCC1(C)C ZINC000278748138 194135484 /nfs/dbraw/zinc/13/54/84/194135484.db2.gz RWCJKJGNKJVDDV-OAHLLOKOSA-N 1 1 263.381 3.339 20 30 CGEDMO CCCC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C1CC1 ZINC000266564114 190267211 /nfs/dbraw/zinc/26/72/11/190267211.db2.gz YNWNKOIQNJDTPF-UHFFFAOYSA-N 1 1 296.374 3.373 20 30 CGEDMO C=CC[N@@H+](CCCSCCOC)CCc1ccco1 ZINC000278942433 194222662 /nfs/dbraw/zinc/22/26/62/194222662.db2.gz XSOUBHCDXYTVGU-UHFFFAOYSA-N 1 1 283.437 3.080 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)CC(C)C)cc1OC ZINC000349871328 379430994 /nfs/dbraw/zinc/43/09/94/379430994.db2.gz FNDPPXBAKKNHFC-UHFFFAOYSA-N 1 1 263.381 3.348 20 30 CGEDMO N#C[C@H]1CC[C@@H]([NH2+]Cc2csc(-c3ccco3)n2)C1 ZINC000349822109 379401866 /nfs/dbraw/zinc/40/18/66/379401866.db2.gz OMNPFRNCTANTNJ-WDEREUQCSA-N 1 1 273.361 3.185 20 30 CGEDMO C#CCn1ccc(CN(CC)c2cc[nH+]c3ccsc32)n1 ZINC000278969598 194234455 /nfs/dbraw/zinc/23/44/55/194234455.db2.gz ZDLGQUMPBFBGRH-UHFFFAOYSA-N 1 1 296.399 3.153 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)Cc2cccc3cc[nH]c32)n1 ZINC000279377375 379421534 /nfs/dbraw/zinc/42/15/34/379421534.db2.gz JSLANZZTLFRSJN-UHFFFAOYSA-N 1 1 292.386 3.020 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)Cc2cccc3cc[nH]c32)n1 ZINC000279377375 379421544 /nfs/dbraw/zinc/42/15/44/379421544.db2.gz JSLANZZTLFRSJN-UHFFFAOYSA-N 1 1 292.386 3.020 20 30 CGEDMO C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000349851569 379421684 /nfs/dbraw/zinc/42/16/84/379421684.db2.gz HQDHRBFOCBXDRT-KBXCAEBGSA-N 1 1 292.382 3.180 20 30 CGEDMO C=C(C)C[N@@H+](Cc1c[nH]nc1C)Cc1ccccc1 ZINC000279663112 379483990 /nfs/dbraw/zinc/48/39/90/379483990.db2.gz MCQVHGJQSLEJQL-UHFFFAOYSA-N 1 1 255.365 3.296 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CC[C@@]3(C2)CCCOC3)c1 ZINC000375305423 379490031 /nfs/dbraw/zinc/49/00/31/379490031.db2.gz WQCUHMFBVJJRHB-GOSISDBHSA-N 1 1 287.403 3.254 20 30 CGEDMO C=CC[C@@H]1[N@H+](Cc2cc[nH]c(=O)c2)CCCC1(C)C ZINC000639612177 379503899 /nfs/dbraw/zinc/50/38/99/379503899.db2.gz MBZXQTKRSFADME-AWEZNQCLSA-N 1 1 260.381 3.354 20 30 CGEDMO CCCCCCC[N@@H+](C)C1CCN(c2cnccn2)CC1 ZINC000375928352 379516996 /nfs/dbraw/zinc/51/69/96/379516996.db2.gz SDFONAAJVDEHGA-UHFFFAOYSA-N 1 1 290.455 3.348 20 30 CGEDMO C=CCC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)CCCO ZINC000640016396 379687813 /nfs/dbraw/zinc/68/78/13/379687813.db2.gz JFFVXOQGGUYRMJ-HNNXBMFYSA-N 1 1 277.408 3.234 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](C)[C@H](C)c1c(F)cccc1F ZINC000351632182 379733599 /nfs/dbraw/zinc/73/35/99/379733599.db2.gz IREUERPHPWYEQJ-VXGBXAGGSA-N 1 1 269.335 3.285 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)[C@H](C)c1c(F)cccc1F ZINC000351632182 379733602 /nfs/dbraw/zinc/73/36/02/379733602.db2.gz IREUERPHPWYEQJ-VXGBXAGGSA-N 1 1 269.335 3.285 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCC(=O)c1ccc(OC)cc1 ZINC000351864067 379746402 /nfs/dbraw/zinc/74/64/02/379746402.db2.gz RREWAHZXBLARJP-UHFFFAOYSA-N 1 1 261.365 3.166 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000267455105 190331739 /nfs/dbraw/zinc/33/17/39/190331739.db2.gz OZKSXTTZTNMLTI-STQMWFEESA-N 1 1 251.395 3.212 20 30 CGEDMO CCCC[C@H](C)[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000352417213 379805861 /nfs/dbraw/zinc/80/58/61/379805861.db2.gz YPSMSFFGJOHQAQ-LBPRGKRZSA-N 1 1 293.436 3.459 20 30 CGEDMO N#Cc1ccccc1OCC[N@H+]1CCC=C(c2ccco2)C1 ZINC000352549638 379854963 /nfs/dbraw/zinc/85/49/63/379854963.db2.gz FAXGXWVAOVZQMF-UHFFFAOYSA-N 1 1 294.354 3.319 20 30 CGEDMO CC1(C)C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)[C@H]2CCC[C@@H]21 ZINC000378831689 379857962 /nfs/dbraw/zinc/85/79/62/379857962.db2.gz KHVKNCBTCWDFFT-HOTGVXAUSA-N 1 1 297.402 3.007 20 30 CGEDMO Cn1c[nH+]c2cc(NCc3ccc(C#N)s3)ccc21 ZINC000347777310 218352507 /nfs/dbraw/zinc/35/25/07/218352507.db2.gz MMSLNUZXDNHVBR-UHFFFAOYSA-N 1 1 268.345 3.119 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000352448277 379818204 /nfs/dbraw/zinc/81/82/04/379818204.db2.gz QVBZBLYCJFOTCI-ROUUACIJSA-N 1 1 296.414 3.286 20 30 CGEDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352448428 379818258 /nfs/dbraw/zinc/81/82/58/379818258.db2.gz HFIBGQKCKMDBIN-GFCCVEGCSA-N 1 1 291.326 3.292 20 30 CGEDMO C[C@@H](c1ccccc1F)[NH+]1CCC(F)(C#N)CC1 ZINC000352459251 379826287 /nfs/dbraw/zinc/82/62/87/379826287.db2.gz WDOFIZZFKBAXNS-NSHDSACASA-N 1 1 250.292 3.214 20 30 CGEDMO CCN1CCC([N@@H+](C)CCC2(C#N)CCCCC2)CC1 ZINC000411304299 380139955 /nfs/dbraw/zinc/13/99/55/380139955.db2.gz HQCKCOWYTPJMLW-UHFFFAOYSA-N 1 1 277.456 3.267 20 30 CGEDMO CC[NH+]1CCC(N(C)CCC2(C#N)CCCCC2)CC1 ZINC000411304299 380139962 /nfs/dbraw/zinc/13/99/62/380139962.db2.gz HQCKCOWYTPJMLW-UHFFFAOYSA-N 1 1 277.456 3.267 20 30 CGEDMO COc1ccc(C[C@@H](C)C[N@@H+](C)[C@@H](C)CCC#N)cc1 ZINC000411415486 380144583 /nfs/dbraw/zinc/14/45/83/380144583.db2.gz NODADNPYLQWBNJ-CABCVRRESA-N 1 1 274.408 3.498 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)c1cnccn1 ZINC000411136990 380130331 /nfs/dbraw/zinc/13/03/31/380130331.db2.gz UITSCSGXGLFFTE-AWEZNQCLSA-N 1 1 253.349 3.226 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)c1cnccn1 ZINC000411136990 380130332 /nfs/dbraw/zinc/13/03/32/380130332.db2.gz UITSCSGXGLFFTE-AWEZNQCLSA-N 1 1 253.349 3.226 20 30 CGEDMO C=CC[NH+](CC=C)[C@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000411165811 380131938 /nfs/dbraw/zinc/13/19/38/380131938.db2.gz QPWUFULHUGWZMO-HZPDHXFCSA-N 1 1 286.419 3.235 20 30 CGEDMO C=C(C)C[N@@H+](CC)C[C@H](O)COc1ccc(SC)cc1 ZINC000411152673 380131980 /nfs/dbraw/zinc/13/19/80/380131980.db2.gz HHCJQADXFBFLIT-AWEZNQCLSA-N 1 1 295.448 3.046 20 30 CGEDMO C=CC[N@H+](CCc1cncs1)Cc1ccc(OC)cc1 ZINC000411177334 380132381 /nfs/dbraw/zinc/13/23/81/380132381.db2.gz JBAJUVARWKIBAB-UHFFFAOYSA-N 1 1 288.416 3.382 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cccnc1 ZINC000353962947 380255669 /nfs/dbraw/zinc/25/56/69/380255669.db2.gz XATCJZNKMFSALZ-ZWKOTPCHSA-N 1 1 277.371 3.353 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cccnc1 ZINC000353962947 380255673 /nfs/dbraw/zinc/25/56/73/380255673.db2.gz XATCJZNKMFSALZ-ZWKOTPCHSA-N 1 1 277.371 3.353 20 30 CGEDMO CCC[N@@H+]1CCC[C@H]1CN[C@@H](CC)c1ccc(C#N)cc1 ZINC000353986182 380265270 /nfs/dbraw/zinc/26/52/70/380265270.db2.gz HJCUDICQSUBYEE-ROUUACIJSA-N 1 1 285.435 3.473 20 30 CGEDMO CCC[N@H+]1CCC[C@H]1CN[C@@H](CC)c1ccc(C#N)cc1 ZINC000353986182 380265276 /nfs/dbraw/zinc/26/52/76/380265276.db2.gz HJCUDICQSUBYEE-ROUUACIJSA-N 1 1 285.435 3.473 20 30 CGEDMO C[N@H+]1CCN(Cc2ccc(C#N)s2)c2ccccc2C1 ZINC000353589483 380215108 /nfs/dbraw/zinc/21/51/08/380215108.db2.gz PWHRRRYITUYIQB-UHFFFAOYSA-N 1 1 283.400 3.072 20 30 CGEDMO CC(C)n1cc(C[NH2+][C@H](CCCC#N)c2ccccc2)nn1 ZINC000353912759 380229310 /nfs/dbraw/zinc/22/93/10/380229310.db2.gz GGZKDDFPHUDTBO-QGZVFWFLSA-N 1 1 297.406 3.384 20 30 CGEDMO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc(F)cc2C#N)C1(C)C ZINC000354471359 380451949 /nfs/dbraw/zinc/45/19/49/380451949.db2.gz ZIRLJGGNSLJURQ-HOTGVXAUSA-N 1 1 290.382 3.333 20 30 CGEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(F)cc2C#N)C1(C)C ZINC000354471359 380451956 /nfs/dbraw/zinc/45/19/56/380451956.db2.gz ZIRLJGGNSLJURQ-HOTGVXAUSA-N 1 1 290.382 3.333 20 30 CGEDMO C=CC[NH+](CC=C)[C@H](C)C(=O)NCCC1=CCCCC1 ZINC000355465706 380675386 /nfs/dbraw/zinc/67/53/86/380675386.db2.gz NTHBEAMFFBIYHM-OAHLLOKOSA-N 1 1 276.424 3.056 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@]3(CCSC3)C2)s1 ZINC000334746371 207005813 /nfs/dbraw/zinc/00/58/13/207005813.db2.gz GXJTYWYXGNMWRG-AWEZNQCLSA-N 1 1 278.446 3.339 20 30 CGEDMO CC[C@@](C)(C#N)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000355668996 380744849 /nfs/dbraw/zinc/74/48/49/380744849.db2.gz RSIDTNRJSPTRGR-HNNXBMFYSA-N 1 1 293.798 3.280 20 30 CGEDMO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](CCC(C)(C)C#N)C1 ZINC000421024311 380871296 /nfs/dbraw/zinc/87/12/96/380871296.db2.gz PXKPZXWMUVYVBQ-KGLIPLIRSA-N 1 1 294.439 3.226 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1coc(-c2cccs2)n1 ZINC000279277000 194364342 /nfs/dbraw/zinc/36/43/42/194364342.db2.gz OBOFLVDDESCCMO-UHFFFAOYSA-N 1 1 260.362 3.247 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1coc(-c2cccs2)n1 ZINC000279277000 194364344 /nfs/dbraw/zinc/36/43/44/194364344.db2.gz OBOFLVDDESCCMO-UHFFFAOYSA-N 1 1 260.362 3.247 20 30 CGEDMO CC[N@@H+](CCNc1ccc(Cl)cc1C#N)C(C)C ZINC000357238825 381079597 /nfs/dbraw/zinc/07/95/97/381079597.db2.gz NLICAMMAWQACLK-UHFFFAOYSA-N 1 1 265.788 3.354 20 30 CGEDMO C[C@H](C#N)C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000357829905 381284938 /nfs/dbraw/zinc/28/49/38/381284938.db2.gz OTBBGGIJFYAWOY-KGLIPLIRSA-N 1 1 285.391 3.159 20 30 CGEDMO C=C(CC)C[N@H+](CC)[C@H]1CCN(c2ccccc2)C1=O ZINC000358485578 381311894 /nfs/dbraw/zinc/31/18/94/381311894.db2.gz CFZHVFZXKPRIKL-INIZCTEOSA-N 1 1 272.392 3.080 20 30 CGEDMO C=C(CC)C[N@@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000358511450 381314415 /nfs/dbraw/zinc/31/44/15/381314415.db2.gz RNMXLEMWMWKWSA-GXTWGEPZSA-N 1 1 251.395 3.476 20 30 CGEDMO C=C(CC)C[N@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000358511450 381314419 /nfs/dbraw/zinc/31/44/19/381314419.db2.gz RNMXLEMWMWKWSA-GXTWGEPZSA-N 1 1 251.395 3.476 20 30 CGEDMO CC[N@H+]1CCCC[C@H]1CNc1nc(C)c(C#N)cc1Cl ZINC000360055188 381427808 /nfs/dbraw/zinc/42/78/08/381427808.db2.gz VETLFJMMXLUPQE-ZDUSSCGKSA-N 1 1 292.814 3.201 20 30 CGEDMO C[C@H]1CCCC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000360614599 381594571 /nfs/dbraw/zinc/59/45/71/381594571.db2.gz UDHIDUTUKCKJAX-AWEZNQCLSA-N 1 1 258.365 3.059 20 30 CGEDMO Cc1nc2ccccc2n1CCCCC[N@H+](C)CCC#N ZINC000361311172 381688639 /nfs/dbraw/zinc/68/86/39/381688639.db2.gz WJNQRMJPXTYIMQ-UHFFFAOYSA-N 1 1 284.407 3.361 20 30 CGEDMO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@H]1CCC(C)(C)C1 ZINC000361470535 381760431 /nfs/dbraw/zinc/76/04/31/381760431.db2.gz UEUOXCAHFQOPDD-HNNXBMFYSA-N 1 1 285.391 3.007 20 30 CGEDMO C[C@@H](CO)[N@H+](Cc1ccc(Cl)cc1C#N)CC1CCC1 ZINC000361493170 381773531 /nfs/dbraw/zinc/77/35/31/381773531.db2.gz QGBHCLBBLVAGOB-LBPRGKRZSA-N 1 1 292.810 3.195 20 30 CGEDMO C=CC[N@@H+](CCOC)Cc1cnc(-c2ccc(C)o2)s1 ZINC000361641640 381851931 /nfs/dbraw/zinc/85/19/31/381851931.db2.gz CWYGMNMMWNKCIU-UHFFFAOYSA-N 1 1 292.404 3.346 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cnc(-c2ccc(C)o2)s1 ZINC000361641640 381851937 /nfs/dbraw/zinc/85/19/37/381851937.db2.gz CWYGMNMMWNKCIU-UHFFFAOYSA-N 1 1 292.404 3.346 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H]2CC)c1C ZINC000362229294 381912654 /nfs/dbraw/zinc/91/26/54/381912654.db2.gz QIXXZZGEMVXXJO-HNNXBMFYSA-N 1 1 274.408 3.348 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+](CC)CC(C)C)c1C ZINC000362228066 381913461 /nfs/dbraw/zinc/91/34/61/381913461.db2.gz GUJPTWDZYNWPPO-UHFFFAOYSA-N 1 1 276.424 3.452 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000335377128 208313012 /nfs/dbraw/zinc/31/30/12/208313012.db2.gz AHRYZEICLOHFSO-YOEHRIQHSA-N 1 1 288.366 3.088 20 30 CGEDMO CC1(C)C[N@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1[C@@H]1CCCO1 ZINC000289382532 197320910 /nfs/dbraw/zinc/32/09/10/197320910.db2.gz BSVLFIGRMUNMLK-JKSUJKDBSA-N 1 1 288.366 3.087 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1[C@@H]1CCCO1 ZINC000289382532 197320912 /nfs/dbraw/zinc/32/09/12/197320912.db2.gz BSVLFIGRMUNMLK-JKSUJKDBSA-N 1 1 288.366 3.087 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3ccncc3)C2)c(F)c1 ZINC000289257809 197277367 /nfs/dbraw/zinc/27/73/67/197277367.db2.gz CXIRTXHHXGRLDR-INIZCTEOSA-N 1 1 295.361 3.472 20 30 CGEDMO CCCC[N@@H+](C)C[C@H](C)Nc1snc(Cl)c1C#N ZINC000289210577 197263868 /nfs/dbraw/zinc/26/38/68/197263868.db2.gz YGOZSLNDNQSBGQ-VIFPVBQESA-N 1 1 286.832 3.200 20 30 CGEDMO C[C@@H]1[C@@H](Nc2ncccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000288289383 197043958 /nfs/dbraw/zinc/04/39/58/197043958.db2.gz RUKMAJYNBUNOPI-PBHICJAKSA-N 1 1 292.386 3.028 20 30 CGEDMO C=CCC[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309917168 542427171 /nfs/dbraw/zinc/42/71/71/542427171.db2.gz OXBNTAWMLQQAHP-DOTOQJQBSA-N 1 1 258.409 3.063 20 30 CGEDMO CC[C@@H]1C[N@H+]([C@H](C)c2cccc(C#N)c2)CCCO1 ZINC000281455667 195246647 /nfs/dbraw/zinc/24/66/47/195246647.db2.gz QVLWVKFIYFCBER-CZUORRHYSA-N 1 1 258.365 3.120 20 30 CGEDMO CCCCNC(=O)OC[C@@H]1CCCC[N@H+]1CCCCC#N ZINC000496284198 262341811 /nfs/dbraw/zinc/34/18/11/262341811.db2.gz OGVKGOXKKCQAQB-HNNXBMFYSA-N 1 1 295.427 3.061 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)Cc1ncccc1O ZINC000521317659 260043457 /nfs/dbraw/zinc/04/34/57/260043457.db2.gz RHSZKSYBYCWNFC-UHFFFAOYSA-N 1 1 260.362 3.037 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)Cc1ncccc1O ZINC000521317659 260043459 /nfs/dbraw/zinc/04/34/59/260043459.db2.gz RHSZKSYBYCWNFC-UHFFFAOYSA-N 1 1 260.362 3.037 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2C[C@H](O)C[C@@H]2c2cccc(F)c2)c1 ZINC000281565294 195290762 /nfs/dbraw/zinc/29/07/62/195290762.db2.gz CZWJRPSFFBBEMH-QZTJIDSGSA-N 1 1 296.345 3.005 20 30 CGEDMO N#Cc1cccc(C[N@H+]2C[C@H](O)C[C@@H]2c2cccc(F)c2)c1 ZINC000281565294 195290763 /nfs/dbraw/zinc/29/07/63/195290763.db2.gz CZWJRPSFFBBEMH-QZTJIDSGSA-N 1 1 296.345 3.005 20 30 CGEDMO C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000063302835 392136800 /nfs/dbraw/zinc/13/68/00/392136800.db2.gz PKSDTWUXBCTGHM-AWEZNQCLSA-N 1 1 285.391 3.009 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C)cc1 ZINC000282178873 392284815 /nfs/dbraw/zinc/28/48/15/392284815.db2.gz FNDDVLUSZYUAIA-YJBOKZPZSA-N 1 1 287.403 3.088 20 30 CGEDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(C#N)c(F)c2)C[C@@H]1C ZINC000361836279 392338511 /nfs/dbraw/zinc/33/85/11/392338511.db2.gz DZLPJSBHDGFVRJ-BBRMVZONSA-N 1 1 289.398 3.002 20 30 CGEDMO C=C(C)CN1CCC([NH2+][C@@H](C)c2cc(C)ccn2)CC1 ZINC000285916588 392349214 /nfs/dbraw/zinc/34/92/14/392349214.db2.gz DNSUUYQAPHDTQS-HNNXBMFYSA-N 1 1 273.424 3.081 20 30 CGEDMO C=C(Cl)C[N@H+](Cc1ccccc1)C[C@@H](C)C(=O)OC ZINC000726692205 572592917 /nfs/dbraw/zinc/59/29/17/572592917.db2.gz AUCSMDJDJMTNAT-GFCCVEGCSA-N 1 1 281.783 3.050 20 30 CGEDMO C=C(Cl)C[N@@H+](Cc1ccccc1)C[C@@H](C)C(=O)OC ZINC000726692205 572592924 /nfs/dbraw/zinc/59/29/24/572592924.db2.gz AUCSMDJDJMTNAT-GFCCVEGCSA-N 1 1 281.783 3.050 20 30 CGEDMO CC(C)[C@H]1CCC[N@H+]1CCOc1ccccc1C#N ZINC000109462310 392357906 /nfs/dbraw/zinc/35/79/06/392357906.db2.gz NWTYCQWCIYCPOD-OAHLLOKOSA-N 1 1 258.365 3.057 20 30 CGEDMO C=C[C@H](CO)[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000289804872 392433117 /nfs/dbraw/zinc/43/31/17/392433117.db2.gz OEQWZYOXWCOTEA-JGVFFNPUSA-N 1 1 278.154 3.330 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1ncc(-c2cccc(F)c2)o1 ZINC000366001684 392448620 /nfs/dbraw/zinc/44/86/20/392448620.db2.gz SEGMOXSBEWWQCQ-UHFFFAOYSA-N 1 1 272.323 3.324 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1ncc(-c2cccc(F)c2)o1 ZINC000366001684 392448626 /nfs/dbraw/zinc/44/86/26/392448626.db2.gz SEGMOXSBEWWQCQ-UHFFFAOYSA-N 1 1 272.323 3.324 20 30 CGEDMO N#CCCC[N@@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000120395482 392399989 /nfs/dbraw/zinc/39/99/89/392399989.db2.gz PVPIYENVSDMRDV-AWEZNQCLSA-N 1 1 264.756 3.097 20 30 CGEDMO C[C@H]1CCCC[C@H]1[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000314782511 392667942 /nfs/dbraw/zinc/66/79/42/392667942.db2.gz ITCSTSUQDDOBMS-WMLDXEAASA-N 1 1 299.418 3.397 20 30 CGEDMO COC(=O)c1ccc(C[N@@H+](C)CCCC(C)(C)C#N)cc1 ZINC000174818189 392645795 /nfs/dbraw/zinc/64/57/95/392645795.db2.gz RRBGJJYCRASHGH-UHFFFAOYSA-N 1 1 288.391 3.235 20 30 CGEDMO Cc1ccc(NC(=O)C[N@@H+](C)CCCC(C)(C)C#N)cc1 ZINC000174807897 392645883 /nfs/dbraw/zinc/64/58/83/392645883.db2.gz YISVPABFNKXPLT-UHFFFAOYSA-N 1 1 287.407 3.195 20 30 CGEDMO CC[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(C#N)cc1 ZINC000373028279 392656968 /nfs/dbraw/zinc/65/69/68/392656968.db2.gz XXQYCZOJPZUFHD-KSZLIROESA-N 1 1 283.419 3.226 20 30 CGEDMO CC[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C#N)cc1 ZINC000373028279 392656973 /nfs/dbraw/zinc/65/69/73/392656973.db2.gz XXQYCZOJPZUFHD-KSZLIROESA-N 1 1 283.419 3.226 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H](O)COc1cccc2ccccc21 ZINC000181246800 392724102 /nfs/dbraw/zinc/72/41/02/392724102.db2.gz JORCDMVUZXDCJL-INIZCTEOSA-N 1 1 285.387 3.087 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000181319192 392727965 /nfs/dbraw/zinc/72/79/65/392727965.db2.gz FLOOVICQQNFOJU-LBPRGKRZSA-N 1 1 280.799 3.483 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000181319192 392727972 /nfs/dbraw/zinc/72/79/72/392727972.db2.gz FLOOVICQQNFOJU-LBPRGKRZSA-N 1 1 280.799 3.483 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1cc(C(=O)OC)ccc1Cl ZINC000182122991 392743098 /nfs/dbraw/zinc/74/30/98/392743098.db2.gz HKGGUUHXGMKUJC-UHFFFAOYSA-N 1 1 267.756 3.135 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cc(C(=O)OC)ccc1Cl ZINC000182122991 392743102 /nfs/dbraw/zinc/74/31/02/392743102.db2.gz HKGGUUHXGMKUJC-UHFFFAOYSA-N 1 1 267.756 3.135 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000183158759 392754275 /nfs/dbraw/zinc/75/42/75/392754275.db2.gz ICGAKDATPYWXBW-UHFFFAOYSA-N 1 1 293.720 3.291 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c1 ZINC000183355714 392757162 /nfs/dbraw/zinc/75/71/62/392757162.db2.gz GTWRTTSFNKTIGK-GOSISDBHSA-N 1 1 296.345 3.351 20 30 CGEDMO N#Cc1cccc([C@H]2C[N@H+](CCCCCF)CCO2)c1 ZINC000375296948 392759890 /nfs/dbraw/zinc/75/98/90/392759890.db2.gz SHRRSUFGYBNZKF-MRXNPFEDSA-N 1 1 276.355 3.071 20 30 CGEDMO N#Cc1cccc([C@H]2C[N@@H+](CCCCCF)CCO2)c1 ZINC000375296948 392759899 /nfs/dbraw/zinc/75/98/99/392759899.db2.gz SHRRSUFGYBNZKF-MRXNPFEDSA-N 1 1 276.355 3.071 20 30 CGEDMO C[C@@H](O)C[N@@H+](CC#Cc1ccccc1)C1CCCCC1 ZINC000191996893 392836819 /nfs/dbraw/zinc/83/68/19/392836819.db2.gz ZGTOOCNETFFOIF-MRXNPFEDSA-N 1 1 271.404 3.054 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1CN1CCCCC1 ZINC000186201954 392777956 /nfs/dbraw/zinc/77/79/56/392777956.db2.gz JOKJIKHAEJKJOE-IBGZPJMESA-N 1 1 297.446 3.317 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1CN1CCCCC1 ZINC000186201954 392777959 /nfs/dbraw/zinc/77/79/59/392777959.db2.gz JOKJIKHAEJKJOE-IBGZPJMESA-N 1 1 297.446 3.317 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+](C)CC1(O)CCCCCC1 ZINC000187353558 392787800 /nfs/dbraw/zinc/78/78/00/392787800.db2.gz QRWRBCUQLACOKF-UHFFFAOYSA-N 1 1 286.419 3.384 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000187714681 392791144 /nfs/dbraw/zinc/79/11/44/392791144.db2.gz NDCZQCWVLFROHS-ZTFGCOKTSA-N 1 1 283.419 3.035 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000187714681 392791150 /nfs/dbraw/zinc/79/11/50/392791150.db2.gz NDCZQCWVLFROHS-ZTFGCOKTSA-N 1 1 283.419 3.035 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@H]2CO)cc1Cl ZINC000191185209 392825077 /nfs/dbraw/zinc/82/50/77/392825077.db2.gz CRFOQHCLIXQGPB-IUODEOHRSA-N 1 1 295.810 3.108 20 30 CGEDMO C=C(C)C[N@@H+](CC)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000514317435 392856037 /nfs/dbraw/zinc/85/60/37/392856037.db2.gz NRDTWISNVBOXNZ-GOSISDBHSA-N 1 1 299.414 3.478 20 30 CGEDMO COc1cncc(/C=C\CC[N@@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000517027579 392868568 /nfs/dbraw/zinc/86/85/68/392868568.db2.gz MXWDMPJRGFFNFL-PKXJPQMGSA-N 1 1 285.391 3.118 20 30 CGEDMO CCOc1ccc([C@@H]2CCC[N@H+]2CCOCCC#N)cc1 ZINC000338885150 392933670 /nfs/dbraw/zinc/93/36/70/392933670.db2.gz XLUUFFPDCOYMSY-KRWDZBQOSA-N 1 1 288.391 3.152 20 30 CGEDMO CC(C)(C)[C@@H]1CCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000524756678 392936679 /nfs/dbraw/zinc/93/66/79/392936679.db2.gz GDLVSAHLYLFVOL-INIZCTEOSA-N 1 1 272.392 3.448 20 30 CGEDMO CC1(C)C[N@@H+](CCOCCC#N)C[C@H]1c1ccccc1 ZINC000339043853 392943961 /nfs/dbraw/zinc/94/39/61/392943961.db2.gz YEOMURIWPWFCRJ-INIZCTEOSA-N 1 1 272.392 3.042 20 30 CGEDMO CCC1(CC)CCC[N@@H+](CCOCCC#N)CC1 ZINC000339119536 392948808 /nfs/dbraw/zinc/94/88/08/392948808.db2.gz UFJOZLMUOSFHCR-UHFFFAOYSA-N 1 1 252.402 3.209 20 30 CGEDMO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000339078524 392946061 /nfs/dbraw/zinc/94/60/61/392946061.db2.gz DAJBXPMWTXSQOB-WZGPROSRSA-N 1 1 297.446 3.179 20 30 CGEDMO CC(C)[N@H+](Cc1cnc2ccc(C#N)cn12)CC1CCC1 ZINC000195079649 392956312 /nfs/dbraw/zinc/95/63/12/392956312.db2.gz NCTQVTBPGOZAHG-UHFFFAOYSA-N 1 1 282.391 3.216 20 30 CGEDMO CO[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)CC[C@@H]1C ZINC000411613990 392982216 /nfs/dbraw/zinc/98/22/16/392982216.db2.gz QMPMEPQYXNXOCK-LSDHHAIUSA-N 1 1 264.413 3.207 20 30 CGEDMO N#CC1(CC[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)CCCCC1 ZINC000411699641 392984507 /nfs/dbraw/zinc/98/45/07/392984507.db2.gz MWWHCYRQYLIFKN-CVEARBPZSA-N 1 1 276.424 3.494 20 30 CGEDMO C=CCCC[N@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000411986299 392992780 /nfs/dbraw/zinc/99/27/80/392992780.db2.gz ORTRTTQYTWWALN-QGZVFWFLSA-N 1 1 271.360 3.063 20 30 CGEDMO C=CCCC[C@@H](C)N1CCC2(CCC[N@H+]2C)CC1 ZINC000343720065 393032577 /nfs/dbraw/zinc/03/25/77/393032577.db2.gz AAPNJOHOTSCLCY-OAHLLOKOSA-N 1 1 250.430 3.291 20 30 CGEDMO CC[N@H+]1C[C@@H](C)[C@@H](Nc2cccc(OCCCC#N)c2)C1 ZINC000342912100 393012319 /nfs/dbraw/zinc/01/23/19/393012319.db2.gz PKTHLJNPSKEFCR-PBHICJAKSA-N 1 1 287.407 3.121 20 30 CGEDMO CC[C@H](C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1)OC ZINC000412977882 393013957 /nfs/dbraw/zinc/01/39/57/393013957.db2.gz NZWGDHCDLSUMCM-BRWVUGGUSA-N 1 1 272.392 3.183 20 30 CGEDMO C=CCCC[C@@H](C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000342966721 393014837 /nfs/dbraw/zinc/01/48/37/393014837.db2.gz RJFKBDSALYXITF-WZYMTQMTSA-N 1 1 293.455 3.046 20 30 CGEDMO CCOc1ccc(C[NH2+]CC2(C#N)CCC2)cc1F ZINC000258890343 393137782 /nfs/dbraw/zinc/13/77/82/393137782.db2.gz KAISSJGLOSTDPK-UHFFFAOYSA-N 1 1 262.328 3.008 20 30 CGEDMO CCCn1ccnc1CCC[N@@H+](C)CC(C)(C)CCC#N ZINC000349199933 393141091 /nfs/dbraw/zinc/14/10/91/393141091.db2.gz YUGSMQGXVZUAQG-UHFFFAOYSA-N 1 1 290.455 3.487 20 30 CGEDMO C[N@@H+](CCN[C@@H]1CCc2ccc(C#N)cc21)C1CCCC1 ZINC000353425392 393220862 /nfs/dbraw/zinc/22/08/62/393220862.db2.gz JKVBTZZSLUIDSY-GOSISDBHSA-N 1 1 283.419 3.010 20 30 CGEDMO CN(CC[NH2+][C@@H]1CCc2ccc(C#N)cc21)C1CCCC1 ZINC000353425392 393220867 /nfs/dbraw/zinc/22/08/67/393220867.db2.gz JKVBTZZSLUIDSY-GOSISDBHSA-N 1 1 283.419 3.010 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)c1 ZINC000355230913 393270803 /nfs/dbraw/zinc/27/08/03/393270803.db2.gz ZNYFHRLNQOHIRJ-KBXCAEBGSA-N 1 1 287.403 3.251 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000649272750 393389645 /nfs/dbraw/zinc/38/96/45/393389645.db2.gz MJKCJSSCLFBGFV-OKZBNKHCSA-N 1 1 289.419 3.023 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356061153 393355431 /nfs/dbraw/zinc/35/54/31/393355431.db2.gz JXNSJBKINXBMPT-SNVBAGLBSA-N 1 1 268.282 3.419 20 30 CGEDMO C=CCN1CC[C@H]([N@H+](CC)Cc2ccc(Cl)s2)C1=O ZINC000281899370 393367432 /nfs/dbraw/zinc/36/74/32/393367432.db2.gz FPHCADWKHIKLQX-LBPRGKRZSA-N 1 1 298.839 3.010 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+](CC)Cc2ccc(Cl)s2)C1=O ZINC000281899370 393367440 /nfs/dbraw/zinc/36/74/40/393367440.db2.gz FPHCADWKHIKLQX-LBPRGKRZSA-N 1 1 298.839 3.010 20 30 CGEDMO COC1CC([N@@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356351170 393425185 /nfs/dbraw/zinc/42/51/85/393425185.db2.gz YBZUJUCZFWJIIR-UHFFFAOYSA-N 1 1 298.308 3.186 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@@H]2CC[C@@H](C)C2)cc1C#N ZINC000429567235 393482191 /nfs/dbraw/zinc/48/21/91/393482191.db2.gz LKBBXWZJZRYMAR-IUODEOHRSA-N 1 1 258.365 3.187 20 30 CGEDMO Cc1cc(C[N@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)ccc1C#N ZINC000488171923 393465726 /nfs/dbraw/zinc/46/57/26/393465726.db2.gz PTEFVAHVMRBKGI-SJORKVTESA-N 1 1 286.419 3.096 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000490106904 393633338 /nfs/dbraw/zinc/63/33/38/393633338.db2.gz UWOOQBBUWKNYMF-CYBMUJFWSA-N 1 1 278.355 3.383 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCc2ccc(O)cc2C1 ZINC000490106904 393633340 /nfs/dbraw/zinc/63/33/40/393633340.db2.gz UWOOQBBUWKNYMF-CYBMUJFWSA-N 1 1 278.355 3.383 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cn1 ZINC000442678201 393738584 /nfs/dbraw/zinc/73/85/84/393738584.db2.gz DBOIDUDSQVJUKB-ZDUSSCGKSA-N 1 1 281.359 3.155 20 30 CGEDMO C[C@@H]1CC2(CCC2)C[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000433263648 393705926 /nfs/dbraw/zinc/70/59/26/393705926.db2.gz WOKQNYVFOGJMFI-GFCCVEGCSA-N 1 1 258.340 3.462 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)s1 ZINC000449537745 393888354 /nfs/dbraw/zinc/88/83/54/393888354.db2.gz JWERVWPLLPUZKP-CABCVRRESA-N 1 1 258.390 3.240 20 30 CGEDMO C=CCC[C@@H]([NH2+]C1CCC2(CC2)CC1)C(=O)OCC ZINC000449654936 393934459 /nfs/dbraw/zinc/93/44/59/393934459.db2.gz FYJWQAUALVOZHK-CQSZACIVSA-N 1 1 265.397 3.197 20 30 CGEDMO C[C@@H]1CN(CCCCC#N)C(C)(C)C[N@H+]1CCCCC#N ZINC000451075427 394041724 /nfs/dbraw/zinc/04/17/24/394041724.db2.gz ASKSDOKTXIOUDJ-MRXNPFEDSA-N 1 1 290.455 3.159 20 30 CGEDMO C[C@@H]1C[N@H+](CCCCC#N)C(C)(C)CN1CCCCC#N ZINC000451075427 394041726 /nfs/dbraw/zinc/04/17/26/394041726.db2.gz ASKSDOKTXIOUDJ-MRXNPFEDSA-N 1 1 290.455 3.159 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCCC#N)C(C)(C)CN1CCCCC#N ZINC000451075427 394041727 /nfs/dbraw/zinc/04/17/27/394041727.db2.gz ASKSDOKTXIOUDJ-MRXNPFEDSA-N 1 1 290.455 3.159 20 30 CGEDMO N#CCSCCC[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451855900 394048773 /nfs/dbraw/zinc/04/87/73/394048773.db2.gz OYAHKAYXRWGPOI-CQSZACIVSA-N 1 1 276.405 3.453 20 30 CGEDMO CC[C@@H](NCC[N@@H+]1CCCC1(C)C)c1ccc(C#N)cc1 ZINC000453393155 394229558 /nfs/dbraw/zinc/22/95/58/394229558.db2.gz IEVFYEPYCPRJGS-QGZVFWFLSA-N 1 1 285.435 3.473 20 30 CGEDMO CC[C@@H](NCC[N@H+]1CCCC1(C)C)c1ccc(C#N)cc1 ZINC000453393155 394229563 /nfs/dbraw/zinc/22/95/63/394229563.db2.gz IEVFYEPYCPRJGS-QGZVFWFLSA-N 1 1 285.435 3.473 20 30 CGEDMO C[NH+](C)CC(C)(C)NCc1ccc(C#N)cc1C(F)(F)F ZINC000453621018 394260937 /nfs/dbraw/zinc/26/09/37/394260937.db2.gz LNWLKBWFMWRKTE-UHFFFAOYSA-N 1 1 299.340 3.007 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CC3(CCCC3)[C@H]2C(C)C)nn1 ZINC000668228562 542994848 /nfs/dbraw/zinc/99/48/48/542994848.db2.gz MHYXOBBXBWDJNI-MRXNPFEDSA-N 1 1 288.439 3.255 20 30 CGEDMO C=CCCn1cc(C[N@H+]2CC3(CCCC3)[C@H]2C(C)C)nn1 ZINC000668228562 542994850 /nfs/dbraw/zinc/99/48/50/542994850.db2.gz MHYXOBBXBWDJNI-MRXNPFEDSA-N 1 1 288.439 3.255 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CC3(CC=CC3)[C@@H]2C(C)C)nn1 ZINC000668277736 543000939 /nfs/dbraw/zinc/00/09/39/543000939.db2.gz OUQYYTBWBAKVTR-INIZCTEOSA-N 1 1 286.423 3.031 20 30 CGEDMO C=CCCn1cc(C[N@H+]2CC3(CC=CC3)[C@@H]2C(C)C)nn1 ZINC000668277736 543000943 /nfs/dbraw/zinc/00/09/43/543000943.db2.gz OUQYYTBWBAKVTR-INIZCTEOSA-N 1 1 286.423 3.031 20 30 CGEDMO C=CCC[C@H](CC)[NH2+]CCc1ccc2cn[nH]c2c1 ZINC000671301577 543168357 /nfs/dbraw/zinc/16/83/57/543168357.db2.gz PRIAMGDOJVUKKE-HNNXBMFYSA-N 1 1 257.381 3.440 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000117873711 397655793 /nfs/dbraw/zinc/65/57/93/397655793.db2.gz CBXFAUFQMZUHOG-HNNXBMFYSA-N 1 1 287.407 3.007 20 30 CGEDMO CCC[N@@H+](CCCCOC)Cc1ccc(C#N)cc1 ZINC000117873324 397655911 /nfs/dbraw/zinc/65/59/11/397655911.db2.gz YSCYMWIOVWZQED-UHFFFAOYSA-N 1 1 260.381 3.197 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCc2ccccc2[C@H]1CC ZINC000675494835 543344071 /nfs/dbraw/zinc/34/40/71/543344071.db2.gz DSBFSJHYEFBSAV-DOTOQJQBSA-N 1 1 259.393 3.323 20 30 CGEDMO COCC[N@@H+](CC#Cc1ccc(F)cc1)C1CCCC1 ZINC000676557667 543404703 /nfs/dbraw/zinc/40/47/03/543404703.db2.gz ZEILKUFITYSDGF-UHFFFAOYSA-N 1 1 275.367 3.068 20 30 CGEDMO C=C(C)[C@@H](CO)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000677047380 543427839 /nfs/dbraw/zinc/42/78/39/543427839.db2.gz XYMGVBDAUHUDJZ-CYBMUJFWSA-N 1 1 273.298 3.074 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](c2ccccc2)[C@@H](CC)C1 ZINC000677048523 543427980 /nfs/dbraw/zinc/42/79/80/543427980.db2.gz ZZSXHRFVUSDPOX-JQHSSLGASA-N 1 1 273.420 3.439 20 30 CGEDMO COCC#CC[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000677818029 543467500 /nfs/dbraw/zinc/46/75/00/543467500.db2.gz XPYCEBYRRZRBPY-UHFFFAOYSA-N 1 1 272.175 3.075 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000678049325 543479493 /nfs/dbraw/zinc/47/94/93/543479493.db2.gz HQTLFRARYNCARZ-ZFWWWQNUSA-N 1 1 265.784 3.066 20 30 CGEDMO C[C@@H](NCCC[N@H+]1CCCC[C@@H]1C)c1cccc(C#N)c1 ZINC000217833898 287024556 /nfs/dbraw/zinc/02/45/56/287024556.db2.gz NNMFLLLWHNSADL-JKSUJKDBSA-N 1 1 285.435 3.473 20 30 CGEDMO C[C@@H]1CCCCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000070409529 165059598 /nfs/dbraw/zinc/05/95/98/165059598.db2.gz VUSDTPAQAGXANJ-CQSZACIVSA-N 1 1 285.391 3.151 20 30 CGEDMO COc1cc(C#N)ccc1OCC[N@H+]1C[C@H](C)CC[C@H]1C ZINC000076149692 165109295 /nfs/dbraw/zinc/10/92/95/165109295.db2.gz CFHJZSYZWCXLOD-ZIAGYGMSSA-N 1 1 288.391 3.066 20 30 CGEDMO COc1cc(C#N)ccc1OCC[N@@H+](C(C)C)C1CCC1 ZINC000077358078 165120040 /nfs/dbraw/zinc/12/00/40/165120040.db2.gz AXLLKVVQEILTQV-UHFFFAOYSA-N 1 1 288.391 3.209 20 30 CGEDMO Cc1ccc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)o1 ZINC000091792334 165272890 /nfs/dbraw/zinc/27/28/90/165272890.db2.gz AXXBIRUMSLYONT-UHFFFAOYSA-N 1 1 295.386 3.172 20 30 CGEDMO Cc1ccccc1OCC[N@H+](C)Cc1ccc(C#N)s1 ZINC000121539062 287199976 /nfs/dbraw/zinc/19/99/76/287199976.db2.gz ZYBVFIFBBSBQNN-UHFFFAOYSA-N 1 1 286.400 3.439 20 30 CGEDMO Cc1[nH+]ccn1CCCCSc1cc(C#N)ccn1 ZINC000124659792 287235722 /nfs/dbraw/zinc/23/57/22/287235722.db2.gz YHJIPBDNVZDLMJ-UHFFFAOYSA-N 1 1 272.377 3.031 20 30 CGEDMO N#Cc1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000020362103 171161063 /nfs/dbraw/zinc/16/10/63/171161063.db2.gz LCTCZZIBNQAVJC-GOSISDBHSA-N 1 1 277.371 3.245 20 30 CGEDMO Cc1nsc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C#N ZINC000285769812 196392649 /nfs/dbraw/zinc/39/26/49/196392649.db2.gz WAXHSFHOFPGQLE-AWEZNQCLSA-N 1 1 298.415 3.010 20 30 CGEDMO C[C@@H](NC[C@H](C)C[NH+]1CCCCC1)c1cccc(C#N)c1 ZINC000038042052 174044403 /nfs/dbraw/zinc/04/44/03/174044403.db2.gz FJSPKOVBEPTSLW-JKSUJKDBSA-N 1 1 285.435 3.331 20 30 CGEDMO C[C@H]1CCC[C@@](CNCc2cccc(C#N)c2)([NH+](C)C)C1 ZINC000040668234 174367733 /nfs/dbraw/zinc/36/77/33/174367733.db2.gz KZIWQBCFSHUQFJ-MAUKXSAKSA-N 1 1 285.435 3.158 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)N[C@H](C)c1ccccc1Cl ZINC000048617436 416455761 /nfs/dbraw/zinc/45/57/61/416455761.db2.gz QAZSHBWAGQHEKX-CYBMUJFWSA-N 1 1 294.826 3.415 20 30 CGEDMO Cc1ccc(Br)cc1C[NH+]1CCC(C#N)CC1 ZINC000313815161 416535542 /nfs/dbraw/zinc/53/55/42/416535542.db2.gz RTANSMPPLHGJGA-UHFFFAOYSA-N 1 1 293.208 3.493 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679357912 543627062 /nfs/dbraw/zinc/62/70/62/543627062.db2.gz GINUHWPKBGOASC-HIFRSBDPSA-N 1 1 263.356 3.431 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000679357912 543627067 /nfs/dbraw/zinc/62/70/67/543627067.db2.gz GINUHWPKBGOASC-HIFRSBDPSA-N 1 1 263.356 3.431 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000680108862 543685836 /nfs/dbraw/zinc/68/58/36/543685836.db2.gz KPRHOWZUPLGGOM-CZUORRHYSA-N 1 1 261.340 3.081 20 30 CGEDMO CC#CCC[N@@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000680885636 543742033 /nfs/dbraw/zinc/74/20/33/543742033.db2.gz VEBFRURQDDRALP-UHFFFAOYSA-N 1 1 252.361 3.248 20 30 CGEDMO CC#CCC[N@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000680885636 543742037 /nfs/dbraw/zinc/74/20/37/543742037.db2.gz VEBFRURQDDRALP-UHFFFAOYSA-N 1 1 252.361 3.248 20 30 CGEDMO CC(C)C[N@H+]1CCCC[C@H]1CNCc1ccc(C#N)cc1 ZINC000130865250 287365300 /nfs/dbraw/zinc/36/53/00/287365300.db2.gz ICKVZNXJXWTTLG-SFHVURJKSA-N 1 1 285.435 3.158 20 30 CGEDMO CC(C)CN1CCCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC000130865250 287365303 /nfs/dbraw/zinc/36/53/03/287365303.db2.gz ICKVZNXJXWTTLG-SFHVURJKSA-N 1 1 285.435 3.158 20 30 CGEDMO C=CCC[N@H+](C)Cc1c[nH]nc1-c1cccc(OC)c1 ZINC000682436296 543845815 /nfs/dbraw/zinc/84/58/15/543845815.db2.gz DVZLIECMSHCNCA-UHFFFAOYSA-N 1 1 271.364 3.093 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000683012722 543888313 /nfs/dbraw/zinc/88/83/13/543888313.db2.gz YPLVBVGTBBHPOP-SFHVURJKSA-N 1 1 262.356 3.270 20 30 CGEDMO COCC[N@@H+](CCC(C)(C)C#N)[C@H]1CCC[C@H]1C ZINC000347161777 226064597 /nfs/dbraw/zinc/06/45/97/226064597.db2.gz SEFXWIWABLASTN-KGLIPLIRSA-N 1 1 252.402 3.063 20 30 CGEDMO N#CCCCC[N@@H+](CCN1CCCCCC1)C1CCC1 ZINC000347485810 226182487 /nfs/dbraw/zinc/18/24/87/226182487.db2.gz XMRGBNLHSGPWCH-UHFFFAOYSA-N 1 1 277.456 3.411 20 30 CGEDMO N#CCCCCN(CC[NH+]1CCCCCC1)C1CCC1 ZINC000347485810 226182490 /nfs/dbraw/zinc/18/24/90/226182490.db2.gz XMRGBNLHSGPWCH-UHFFFAOYSA-N 1 1 277.456 3.411 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+](CC)Cc1ccccc1Br ZINC000685006935 544051746 /nfs/dbraw/zinc/05/17/46/544051746.db2.gz IDOBVNRMOCLYEU-CQSZACIVSA-N 1 1 298.224 3.208 20 30 CGEDMO C=C(C)[C@@H](CO)[N@@H+](CC)Cc1ccccc1Br ZINC000685006935 544051749 /nfs/dbraw/zinc/05/17/49/544051749.db2.gz IDOBVNRMOCLYEU-CQSZACIVSA-N 1 1 298.224 3.208 20 30 CGEDMO C[C@H](C#N)C[N@@H+](CCCCOC(C)(C)C)C1CC1 ZINC000354735272 227086669 /nfs/dbraw/zinc/08/66/69/227086669.db2.gz PPEAYDBHZROLSK-CYBMUJFWSA-N 1 1 252.402 3.206 20 30 CGEDMO C=CCCn1cc(C[N@H+]2CCC[C@@](C)(CCC)C2)nn1 ZINC000653561674 419048398 /nfs/dbraw/zinc/04/83/98/419048398.db2.gz OPPRTHSWIBVBMS-MRXNPFEDSA-N 1 1 276.428 3.256 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CCC[C@@](C)(CCC)C2)nn1 ZINC000653561674 419048400 /nfs/dbraw/zinc/04/84/00/419048400.db2.gz OPPRTHSWIBVBMS-MRXNPFEDSA-N 1 1 276.428 3.256 20 30 CGEDMO C=CCCn1cc(C[N@H+](C)[C@@H](C)Cc2ccc(C)cc2)nn1 ZINC000653557687 419048476 /nfs/dbraw/zinc/04/84/76/419048476.db2.gz BRFRTSCOEHQADE-INIZCTEOSA-N 1 1 298.434 3.226 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)[C@@H]1CCO[C@H](C)C1 ZINC000659850086 419010674 /nfs/dbraw/zinc/01/06/74/419010674.db2.gz MYRSVVDYVOCETP-GDBMZVCRSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CC[N@@H+](Cc1cc(Br)cnc1OC)C1CC1 ZINC000660170103 419092796 /nfs/dbraw/zinc/09/27/96/419092796.db2.gz OMEVPGCHMMOBDO-UHFFFAOYSA-N 1 1 297.196 3.003 20 30 CGEDMO C=CC[N@H+](Cc1cc(Br)cnc1OC)C1CC1 ZINC000660170103 419092800 /nfs/dbraw/zinc/09/28/00/419092800.db2.gz OMEVPGCHMMOBDO-UHFFFAOYSA-N 1 1 297.196 3.003 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CC[C@@](C)(c3ccccc3)C2)nn1 ZINC000653568293 419051885 /nfs/dbraw/zinc/05/18/85/419051885.db2.gz QBXDVNOERYVAPW-GOSISDBHSA-N 1 1 296.418 3.018 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@H](C)c2ccc(C)c(F)c2)nn1 ZINC000653606737 419058242 /nfs/dbraw/zinc/05/82/42/419058242.db2.gz AWKVYFSOWSYGOA-CYBMUJFWSA-N 1 1 288.370 3.153 20 30 CGEDMO C=CCCn1cc(C[N@H+](CC)[C@H]2CCCC[C@@H]2C)nn1 ZINC000653632597 419062595 /nfs/dbraw/zinc/06/25/95/419062595.db2.gz ZYRSSMMHZDJIJA-HOCLYGCPSA-N 1 1 276.428 3.255 20 30 CGEDMO C=C(C)CC[NH+]1CCC(NCc2ccccc2)CC1 ZINC000660675357 419181119 /nfs/dbraw/zinc/18/11/19/419181119.db2.gz IUGTZOKRLZJSHN-UHFFFAOYSA-N 1 1 258.409 3.207 20 30 CGEDMO C=CCOCCN(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000660708198 419185023 /nfs/dbraw/zinc/18/50/23/419185023.db2.gz NKLCTXDLKPXNRC-LLVKDONJSA-N 1 1 293.798 3.412 20 30 CGEDMO C=CCOCC[N@@H+](C)[C@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000660708198 419185024 /nfs/dbraw/zinc/18/50/24/419185024.db2.gz NKLCTXDLKPXNRC-LLVKDONJSA-N 1 1 293.798 3.412 20 30 CGEDMO C=CCOCC[N@H+](C)[C@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000660708198 419185027 /nfs/dbraw/zinc/18/50/27/419185027.db2.gz NKLCTXDLKPXNRC-LLVKDONJSA-N 1 1 293.798 3.412 20 30 CGEDMO C=CC[N@H+](CCCC(=O)c1ccccc1)[C@@H](C)COC ZINC000661240708 419243121 /nfs/dbraw/zinc/24/31/21/419243121.db2.gz QMOAMATUXVHCBI-HNNXBMFYSA-N 1 1 275.392 3.172 20 30 CGEDMO C=CC[N@@H+](Cc1cccc2cccnc21)[C@H](C)COC ZINC000661241299 419244449 /nfs/dbraw/zinc/24/44/49/419244449.db2.gz VHZLCGQFALDUOX-CQSZACIVSA-N 1 1 270.376 3.258 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@@H](C(C)(C)C)C2)cc1C#N ZINC000355650442 227937818 /nfs/dbraw/zinc/93/78/18/227937818.db2.gz ATUKKHIWTHABRI-CQSZACIVSA-N 1 1 259.397 3.155 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](CCc2nc3ccccc3n2C)C1 ZINC000661380097 419255273 /nfs/dbraw/zinc/25/52/73/419255273.db2.gz DYCOWGBNHXRYEI-HNNXBMFYSA-N 1 1 283.419 3.404 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000661383763 419255456 /nfs/dbraw/zinc/25/54/56/419255456.db2.gz FCRNHCUCYPFEEG-RDJZCZTQSA-N 1 1 277.383 3.017 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2nc(CC(C)C)no2)C1 ZINC000661377614 419255509 /nfs/dbraw/zinc/25/55/09/419255509.db2.gz QMSDRZCVHOKTGO-ZDUSSCGKSA-N 1 1 263.385 3.056 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2nc(CC(C)C)no2)C1 ZINC000661377614 419255512 /nfs/dbraw/zinc/25/55/12/419255512.db2.gz QMSDRZCVHOKTGO-ZDUSSCGKSA-N 1 1 263.385 3.056 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@@H](C(=O)N(C)C)c2ccccc2)C1 ZINC000661378195 419255882 /nfs/dbraw/zinc/25/58/82/419255882.db2.gz ADOOTZQLTADSSP-DOTOQJQBSA-N 1 1 286.419 3.104 20 30 CGEDMO COC[C@H]([NH2+]CC#Cc1ccccc1)c1cccc(OC)c1 ZINC000661468112 419262818 /nfs/dbraw/zinc/26/28/18/419262818.db2.gz AEOLRJWCPNTWAJ-IBGZPJMESA-N 1 1 295.382 3.024 20 30 CGEDMO COC[C@@H]([NH2+]CC#Cc1ccccc1)c1cccc(OC)c1 ZINC000661468113 419263122 /nfs/dbraw/zinc/26/31/22/419263122.db2.gz AEOLRJWCPNTWAJ-LJQANCHMSA-N 1 1 295.382 3.024 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@H]2CCCc3sccc32)nn1 ZINC000657439040 419278348 /nfs/dbraw/zinc/27/83/48/419278348.db2.gz ZQMIGOWTIGCOIV-AWEZNQCLSA-N 1 1 288.420 3.083 20 30 CGEDMO C=C(CC)C[NH2+]Cc1c(F)cncc1Br ZINC000657484935 419291181 /nfs/dbraw/zinc/29/11/81/419291181.db2.gz RQXOOKAJTMGWHF-UHFFFAOYSA-N 1 1 273.149 3.039 20 30 CGEDMO C=CC[N@H+](CCC(=O)Nc1ccccc1)C(C)(C)C ZINC000661755819 419295165 /nfs/dbraw/zinc/29/51/65/419295165.db2.gz ZRWGYKHMSSYYGQ-UHFFFAOYSA-N 1 1 260.381 3.302 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1cc(F)ccc1F)C(C)(C)C ZINC000661755489 419295172 /nfs/dbraw/zinc/29/51/72/419295172.db2.gz RUQHBRLKDQIEFS-UHFFFAOYSA-N 1 1 282.334 3.190 20 30 CGEDMO C=CC[N@H+](Cc1nc(-c2ccoc2)no1)C(C)(C)C ZINC000661756909 419295386 /nfs/dbraw/zinc/29/53/86/419295386.db2.gz XGWUESQEFPCROF-UHFFFAOYSA-N 1 1 261.325 3.116 20 30 CGEDMO C=CC[N@@H+](Cc1nc(-c2ccoc2)no1)C(C)(C)C ZINC000661756909 419295388 /nfs/dbraw/zinc/29/53/88/419295388.db2.gz XGWUESQEFPCROF-UHFFFAOYSA-N 1 1 261.325 3.116 20 30 CGEDMO C=CC[N@H+](Cc1cc2ccccc2n(C)c1=O)C(C)(C)C ZINC000661757714 419295723 /nfs/dbraw/zinc/29/57/23/419295723.db2.gz LSKBCRVJJACQHV-UHFFFAOYSA-N 1 1 284.403 3.325 20 30 CGEDMO CCc1noc(C)c1NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000330299887 228107246 /nfs/dbraw/zinc/10/72/46/228107246.db2.gz MRXZUYDYUFGEOY-LBPRGKRZSA-N 1 1 279.384 3.398 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)NC1CCCCC1 ZINC000662078843 419333072 /nfs/dbraw/zinc/33/30/72/419333072.db2.gz CQTDSGQYXDBDGV-BMFZPTHFSA-N 1 1 276.424 3.007 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N[C@@H](C)c1cccs1 ZINC000662080370 419333107 /nfs/dbraw/zinc/33/31/07/419333107.db2.gz PAWUIOUTVUQIOY-MELADBBJSA-N 1 1 290.432 3.108 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000662080648 419333274 /nfs/dbraw/zinc/33/32/74/419333274.db2.gz LEERWADRQWEXJS-HHARLNAUSA-N 1 1 290.451 3.062 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000662082063 419333911 /nfs/dbraw/zinc/33/39/11/419333911.db2.gz XIAOLHOZAPWFOK-DMRKSPOLSA-N 1 1 290.451 3.253 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1nc(-c2ccccc2)no1 ZINC000662083740 419334425 /nfs/dbraw/zinc/33/44/25/419334425.db2.gz JLZGWFATDIOAGP-IYBDPMFKSA-N 1 1 295.386 3.462 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1ccccc1Cl ZINC000662084908 419334434 /nfs/dbraw/zinc/33/44/34/419334434.db2.gz AWDFORUBZRDPCF-BETUJISGSA-N 1 1 290.794 3.462 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccccc1Cl ZINC000662084908 419334437 /nfs/dbraw/zinc/33/44/37/419334437.db2.gz AWDFORUBZRDPCF-BETUJISGSA-N 1 1 290.794 3.462 20 30 CGEDMO OC[C@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1ccsc1 ZINC000352033326 228176612 /nfs/dbraw/zinc/17/66/12/228176612.db2.gz SEBQHEMYLMRCRD-HNNXBMFYSA-N 1 1 291.803 3.076 20 30 CGEDMO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCN(C)C1 ZINC000657876452 419397911 /nfs/dbraw/zinc/39/79/11/419397911.db2.gz MCLCUPCKFCGEII-OAGGEKHMSA-N 1 1 250.430 3.053 20 30 CGEDMO C=CC[C@H](CO)CNc1cc(C(F)(F)F)cc(C)[nH+]1 ZINC000663770408 419707041 /nfs/dbraw/zinc/70/70/41/419707041.db2.gz NDJNTCUMMBRDPP-JTQLQIEISA-N 1 1 274.286 3.005 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1c(C)nc2scc(C3CC3)n12 ZINC000297787671 260133912 /nfs/dbraw/zinc/13/39/12/260133912.db2.gz WPAOGOIMWUADTA-UHFFFAOYSA-N 1 1 281.812 3.424 20 30 CGEDMO C=CC(C)(C)c1nc(-c2ccc(-n3cc[nH+]c3C)nc2)no1 ZINC000297875623 260136442 /nfs/dbraw/zinc/13/64/42/260136442.db2.gz UVOIOIUMOIKAHH-UHFFFAOYSA-N 1 1 295.346 3.089 20 30 CGEDMO Cc1cc(C[N@@H+](C)C[C@@H](C)C#N)c2ccccc2n1 ZINC000080121228 260178248 /nfs/dbraw/zinc/17/82/48/260178248.db2.gz FWXOXWFOQUKKNH-LBPRGKRZSA-N 1 1 253.349 3.135 20 30 CGEDMO Cc1cc(C[N@H+](C)C[C@@H](C)C#N)c2ccccc2n1 ZINC000080121228 260178249 /nfs/dbraw/zinc/17/82/49/260178249.db2.gz FWXOXWFOQUKKNH-LBPRGKRZSA-N 1 1 253.349 3.135 20 30 CGEDMO CC#CC[N@H+](Cc1ccc(OC(F)F)c(OC)c1)C1CC1 ZINC000357608317 260243435 /nfs/dbraw/zinc/24/34/35/260243435.db2.gz RBCZUACQPHQFMR-UHFFFAOYSA-N 1 1 295.329 3.284 20 30 CGEDMO Cc1cc(C[N@@H+](C)[C@H](C)CC#N)c2ccccc2n1 ZINC000092347703 260269064 /nfs/dbraw/zinc/26/90/64/260269064.db2.gz KNVZQKDUOUIFDT-CYBMUJFWSA-N 1 1 253.349 3.277 20 30 CGEDMO Cc1cc(C[N@H+](C)[C@H](C)CC#N)c2ccccc2n1 ZINC000092347703 260269066 /nfs/dbraw/zinc/26/90/66/260269066.db2.gz KNVZQKDUOUIFDT-CYBMUJFWSA-N 1 1 253.349 3.277 20 30 CGEDMO Cn1c2ccccc2nc1C[N@@H+](C)CCCC(C)(C)C#N ZINC000177199530 261338863 /nfs/dbraw/zinc/33/88/63/261338863.db2.gz UXERXOAFPSATEM-UHFFFAOYSA-N 1 1 284.407 3.335 20 30 CGEDMO C#CC[N@H+](Cc1ccc(F)cc1)[C@H](C)c1cccnc1 ZINC000491167823 261357694 /nfs/dbraw/zinc/35/76/94/261357694.db2.gz ZSEFMJKJRSRXEY-CQSZACIVSA-N 1 1 268.335 3.417 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H](C)c1cccnc1 ZINC000491167823 261357695 /nfs/dbraw/zinc/35/76/95/261357695.db2.gz ZSEFMJKJRSRXEY-CQSZACIVSA-N 1 1 268.335 3.417 20 30 CGEDMO CCOc1ccc(C[NH2+][C@H](CC)CC#N)cc1OCC ZINC000184086688 262008002 /nfs/dbraw/zinc/00/80/02/262008002.db2.gz NIAPFZSIRKNWAD-CQSZACIVSA-N 1 1 276.380 3.266 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000184089094 262008295 /nfs/dbraw/zinc/00/82/95/262008295.db2.gz DQHIMLQUBITRQB-HNNXBMFYSA-N 1 1 268.364 3.167 20 30 CGEDMO CC(C)(C)OCc1cc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)no1 ZINC000193309988 262219943 /nfs/dbraw/zinc/21/99/43/262219943.db2.gz PLDLGRBYFDNJOF-QWHCGFSZSA-N 1 1 291.395 3.162 20 30 CGEDMO C=CCOc1ccccc1CNC[C@@H]1CCC[N@@H+]1CCC ZINC000353133696 262269580 /nfs/dbraw/zinc/26/95/80/262269580.db2.gz FOZDTIRWVIRWDH-KRWDZBQOSA-N 1 1 288.435 3.215 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]C[C@@H]1CCCN1CCC ZINC000353133696 262269581 /nfs/dbraw/zinc/26/95/81/262269581.db2.gz FOZDTIRWVIRWDH-KRWDZBQOSA-N 1 1 288.435 3.215 20 30 CGEDMO C[C@@H]1C[NH+](Cc2ccccc2C(C)(C)C#N)C[C@@H](C)N1C ZINC000339622743 262657269 /nfs/dbraw/zinc/65/72/69/262657269.db2.gz JPMPMJHLFBQDBB-HUUCEWRRSA-N 1 1 285.435 3.012 20 30 CGEDMO Cc1cc(-c2noc([C@H](C)[NH2+]CCCC#N)n2)ccc1F ZINC000273012374 263010748 /nfs/dbraw/zinc/01/07/48/263010748.db2.gz OVTWRFWXISMDRH-NSHDSACASA-N 1 1 288.326 3.139 20 30 CGEDMO CO[C@H](C)c1nc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)cs1 ZINC000278908073 263051705 /nfs/dbraw/zinc/05/17/05/263051705.db2.gz ZXAIWOJZGGFGEQ-GRYCIOLGSA-N 1 1 279.409 3.022 20 30 CGEDMO C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C[C@H](c2ccc(F)cc2)O1 ZINC000292911200 263136337 /nfs/dbraw/zinc/13/63/37/263136337.db2.gz XCJLZSCGFPHQGV-BQGCOEIASA-N 1 1 288.366 3.280 20 30 CGEDMO C[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C#N)C2)C[C@H](c2ccc(F)cc2)O1 ZINC000292911200 263136338 /nfs/dbraw/zinc/13/63/38/263136338.db2.gz XCJLZSCGFPHQGV-BQGCOEIASA-N 1 1 288.366 3.280 20 30 CGEDMO CCC[N@@H+](CCOCCC#N)[C@H]1CCc2ccccc21 ZINC000293666989 263146238 /nfs/dbraw/zinc/14/62/38/263146238.db2.gz ZCMOGJNDWRHXJU-KRWDZBQOSA-N 1 1 272.392 3.316 20 30 CGEDMO COc1ccccc1O[C@@H]1CCC[N@H+]([C@H](C)CCC#N)C1 ZINC000298507047 263220541 /nfs/dbraw/zinc/22/05/41/263220541.db2.gz KLVGGJLQWDKJSG-HUUCEWRRSA-N 1 1 288.391 3.231 20 30 CGEDMO CCCCOc1ccc([C@@H](C)[NH2+]CCC#N)cc1OC ZINC000299732586 263253640 /nfs/dbraw/zinc/25/36/40/263253640.db2.gz XSSGOFADLBSRGG-CYBMUJFWSA-N 1 1 276.380 3.438 20 30 CGEDMO C=C(C)CC[N@@H+](Cc1ccccc1)CC1(CO)CC1 ZINC000341968258 263371676 /nfs/dbraw/zinc/37/16/76/263371676.db2.gz LEWQSTDPPOKECK-UHFFFAOYSA-N 1 1 259.393 3.227 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000334226144 263496491 /nfs/dbraw/zinc/49/64/91/263496491.db2.gz FBEMRXHIQMFGGG-SFHVURJKSA-N 1 1 284.403 3.448 20 30 CGEDMO C[C@]1(C(N)=O)CCCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000330878528 264060772 /nfs/dbraw/zinc/06/07/72/264060772.db2.gz YDLZBSNRGVHBIX-MRXNPFEDSA-N 1 1 271.364 3.033 20 30 CGEDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1c(C)cc(C)nc1C ZINC000331233550 264173873 /nfs/dbraw/zinc/17/38/73/264173873.db2.gz JTQMPWOWENCUIC-CYBMUJFWSA-N 1 1 292.427 3.063 20 30 CGEDMO C[N@@H+](CC#Cc1cccc(Cl)c1)C[C@H]1CCCOC1 ZINC000160098084 264223715 /nfs/dbraw/zinc/22/37/15/264223715.db2.gz WAHCCIOQLAASBP-OAHLLOKOSA-N 1 1 277.795 3.050 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(-c2ccccn2)nc1 ZINC000425438696 264320297 /nfs/dbraw/zinc/32/02/97/264320297.db2.gz AZKCPKFYABYJNS-UHFFFAOYSA-N 1 1 253.349 3.152 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1C ZINC000076735641 264343943 /nfs/dbraw/zinc/34/39/43/264343943.db2.gz ZEVPEOUWGNKHRQ-CQSZACIVSA-N 1 1 260.381 3.220 20 30 CGEDMO CC(C)(C)OC(=O)CC[C@@H]1CCCC[N@@H+]1CC1(C#N)CC1 ZINC000425483146 264349519 /nfs/dbraw/zinc/34/95/19/264349519.db2.gz UINWBNYGMZNTHR-AWEZNQCLSA-N 1 1 292.423 3.267 20 30 CGEDMO CC(C)(C)OC(=O)CC[C@@H]1CCCC[N@H+]1CC1(C#N)CC1 ZINC000425483146 264349521 /nfs/dbraw/zinc/34/95/21/264349521.db2.gz UINWBNYGMZNTHR-AWEZNQCLSA-N 1 1 292.423 3.267 20 30 CGEDMO C=CC[N@H+](CCc1ccncc1)Cc1ccc(OC)cc1 ZINC000077384281 264351578 /nfs/dbraw/zinc/35/15/78/264351578.db2.gz BPEHYEJHJXRMDT-UHFFFAOYSA-N 1 1 282.387 3.321 20 30 CGEDMO C=CCC[C@H]([NH2+]Cc1cnccc1OC)c1ccco1 ZINC000294082514 265007593 /nfs/dbraw/zinc/00/75/93/265007593.db2.gz IMOUZHCJLYNCNC-AWEZNQCLSA-N 1 1 272.348 3.480 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)CCS1 ZINC000192174760 270077050 /nfs/dbraw/zinc/07/70/50/270077050.db2.gz MHYWVPLEUZTIRS-LLVKDONJSA-N 1 1 264.369 3.025 20 30 CGEDMO Cc1nsc(NC[C@H]2CC[N@H+]2C2CCCCC2)c1C#N ZINC000528120037 270154827 /nfs/dbraw/zinc/15/48/27/270154827.db2.gz YUQNXPULGCHNLU-CYBMUJFWSA-N 1 1 290.436 3.142 20 30 CGEDMO CC(C)[C@]1(CO)CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000368068437 267144098 /nfs/dbraw/zinc/14/40/98/267144098.db2.gz ICAWNALRPMOVJK-QGZVFWFLSA-N 1 1 291.822 3.032 20 30 CGEDMO CC[C@@H](C)[C@@H](C)[N@@H+](Cc1ccc(C#N)cn1)C1CC1 ZINC000519759817 267186848 /nfs/dbraw/zinc/18/68/48/267186848.db2.gz PCDYKTNNFJNEFP-CHWSQXEVSA-N 1 1 257.381 3.352 20 30 CGEDMO COC[C@@H]1CCCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000368660888 267195181 /nfs/dbraw/zinc/19/51/81/267195181.db2.gz UJOGUNIYWMERLG-CQSZACIVSA-N 1 1 252.402 3.065 20 30 CGEDMO CC#CC[NH2+][C@@H](c1ccc(C)cc1)c1ccccn1 ZINC000369318541 267235506 /nfs/dbraw/zinc/23/55/06/267235506.db2.gz DKXALTSROYCXDO-KRWDZBQOSA-N 1 1 250.345 3.092 20 30 CGEDMO N#CC1(C[NH2+]C/C=C/c2ccc(F)cc2F)CCC1 ZINC000418145413 267366886 /nfs/dbraw/zinc/36/68/86/267366886.db2.gz XYMYVOHYAVEDNJ-HNQUOIGGSA-N 1 1 262.303 3.261 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000371205234 267370612 /nfs/dbraw/zinc/37/06/12/267370612.db2.gz PRIAYCUNZHTHEY-SNVBAGLBSA-N 1 1 288.338 3.365 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CCC1 ZINC000375437265 267860577 /nfs/dbraw/zinc/86/05/77/267860577.db2.gz JOAPVMDPHCDZHP-MRXNPFEDSA-N 1 1 284.403 3.036 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CCC1 ZINC000375437265 267860582 /nfs/dbraw/zinc/86/05/82/267860582.db2.gz JOAPVMDPHCDZHP-MRXNPFEDSA-N 1 1 284.403 3.036 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000123270310 268020477 /nfs/dbraw/zinc/02/04/77/268020477.db2.gz QODPQVLWETUDDX-CVEARBPZSA-N 1 1 295.810 3.040 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000123270310 268020478 /nfs/dbraw/zinc/02/04/78/268020478.db2.gz QODPQVLWETUDDX-CVEARBPZSA-N 1 1 295.810 3.040 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(COC)o1)Cc1cccc(C#N)c1 ZINC000092504251 269559725 /nfs/dbraw/zinc/55/97/25/269559725.db2.gz TXZCWKKTPHIYEE-UHFFFAOYSA-N 1 1 296.370 3.486 20 30 CGEDMO C=CC[N@H+](Cc1ccc(COC)o1)Cc1cccc(C#N)c1 ZINC000092504251 269559727 /nfs/dbraw/zinc/55/97/27/269559727.db2.gz TXZCWKKTPHIYEE-UHFFFAOYSA-N 1 1 296.370 3.486 20 30 CGEDMO C[C@@H]1CC[C@H]([N@@H+](C)CCOc2ccccc2C#N)C1 ZINC000338984335 274317483 /nfs/dbraw/zinc/31/74/83/274317483.db2.gz ZMIADNSOZUMGDA-HIFRSBDPSA-N 1 1 258.365 3.057 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000459416202 274353022 /nfs/dbraw/zinc/35/30/22/274353022.db2.gz UQHGZMJPSSAYGO-IVMMDQJWSA-N 1 1 299.374 3.477 20 30 CGEDMO C[C@H](C[NH+]1CCCCCC1)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353593745 279306376 /nfs/dbraw/zinc/30/63/76/279306376.db2.gz DURXYSBCDYOHTE-DNVCBOLYSA-N 1 1 297.446 3.400 20 30 CGEDMO N#Cc1ccc(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)o1 ZINC000093665884 303190092 /nfs/dbraw/zinc/19/00/92/303190092.db2.gz NVGNZWDAGDOBLK-HNNXBMFYSA-N 1 1 274.364 3.075 20 30 CGEDMO N#C[C@@H]1CCC[C@H]([NH2+]Cc2nc(C(F)(F)F)cs2)C1 ZINC000192888063 327878547 /nfs/dbraw/zinc/87/85/47/327878547.db2.gz ZODHCSHCIQATDV-BDAKNGLRSA-N 1 1 289.326 3.334 20 30 CGEDMO C=C1CC[NH+](CC(=O)NCCCC2CCCCC2)CC1 ZINC000531651958 328021574 /nfs/dbraw/zinc/02/15/74/328021574.db2.gz VKFWBYWSCFSIFJ-UHFFFAOYSA-N 1 1 278.440 3.115 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)C[C@@H]1CCCOC1 ZINC000531760333 328031041 /nfs/dbraw/zinc/03/10/41/328031041.db2.gz HSEDTCVIAKPOSH-KRWDZBQOSA-N 1 1 259.393 3.144 20 30 CGEDMO N#CC1(CC[N@H+]2CCOC[C@@H]2C2CCC2)CCCCC1 ZINC000571082916 328085042 /nfs/dbraw/zinc/08/50/42/328085042.db2.gz XILUVZLXLIMTEN-MRXNPFEDSA-N 1 1 276.424 3.351 20 30 CGEDMO N#CC1(CC[N@H+](CCO)[C@@H]2CCCSC2)CCCCC1 ZINC000411665515 328098160 /nfs/dbraw/zinc/09/81/60/328098160.db2.gz KKGVPFZDCVOAOL-OAHLLOKOSA-N 1 1 296.480 3.040 20 30 CGEDMO C[C@H](C1CC1)[N@@H+](CCOCCC#N)Cc1ccccc1 ZINC000293441048 328098441 /nfs/dbraw/zinc/09/84/41/328098441.db2.gz JYMIVZOZOXSGJN-OAHLLOKOSA-N 1 1 272.392 3.217 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000264568760 328160536 /nfs/dbraw/zinc/16/05/36/328160536.db2.gz QPKOLKQUSNANHD-QGZVFWFLSA-N 1 1 281.359 3.254 20 30 CGEDMO N#CCC[C@H](C#N)C[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000264881459 328162479 /nfs/dbraw/zinc/16/24/79/328162479.db2.gz QYYBAHUCTIXBEK-ZIAGYGMSSA-N 1 1 271.339 3.059 20 30 CGEDMO N#CCC[C@H](C#N)C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000264881459 328162480 /nfs/dbraw/zinc/16/24/80/328162480.db2.gz QYYBAHUCTIXBEK-ZIAGYGMSSA-N 1 1 271.339 3.059 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000273888226 328207200 /nfs/dbraw/zinc/20/72/00/328207200.db2.gz SOWVRLLHCGBBOJ-OAHLLOKOSA-N 1 1 288.391 3.424 20 30 CGEDMO C[C@@H](CCC#N)[N@@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000276347922 328217758 /nfs/dbraw/zinc/21/77/58/328217758.db2.gz VSFUHGRIJWOKAN-SQWLQELKSA-N 1 1 258.365 3.141 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000276347922 328217759 /nfs/dbraw/zinc/21/77/59/328217759.db2.gz VSFUHGRIJWOKAN-SQWLQELKSA-N 1 1 258.365 3.141 20 30 CGEDMO C[N@H+](Cc1nc2c(s1)CCCC2)[C@@H]1CC[C@H](C#N)C1 ZINC000278516880 328226091 /nfs/dbraw/zinc/22/60/91/328226091.db2.gz CBQVPGNKXRMLRC-NWDGAFQWSA-N 1 1 275.421 3.146 20 30 CGEDMO C[N@@H+](Cc1nc2c(s1)CCCC2)[C@@H]1CC[C@H](C#N)C1 ZINC000278516880 328226093 /nfs/dbraw/zinc/22/60/93/328226093.db2.gz CBQVPGNKXRMLRC-NWDGAFQWSA-N 1 1 275.421 3.146 20 30 CGEDMO Cn1c[nH+]c2cc(N[C@H]3CCC[C@H](C#N)C3)ccc21 ZINC000278613458 328228329 /nfs/dbraw/zinc/22/83/29/328228329.db2.gz FTUJRSVSRBXSJY-RYUDHWBXSA-N 1 1 254.337 3.068 20 30 CGEDMO Cn1c[nH+]c2cc(N[C@H]3CCC[C@@H](C#N)C3)ccc21 ZINC000278613451 328228432 /nfs/dbraw/zinc/22/84/32/328228432.db2.gz FTUJRSVSRBXSJY-NEPJUHHUSA-N 1 1 254.337 3.068 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@](COC)(C(=O)OCC)C1 ZINC000439474322 328266323 /nfs/dbraw/zinc/26/63/23/328266323.db2.gz WWIWALMZARIOEX-WBVHZDCISA-N 1 1 297.439 3.023 20 30 CGEDMO C[N@H+](CCCSCC#N)Cc1c(F)cccc1F ZINC000293331326 328275466 /nfs/dbraw/zinc/27/54/66/328275466.db2.gz GNLVPCLKDBBALL-UHFFFAOYSA-N 1 1 270.348 3.043 20 30 CGEDMO C[N@@H+](CCCSCC#N)Cc1c(F)cccc1F ZINC000293331326 328275468 /nfs/dbraw/zinc/27/54/68/328275468.db2.gz GNLVPCLKDBBALL-UHFFFAOYSA-N 1 1 270.348 3.043 20 30 CGEDMO CCc1ccc([C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C#N)C3)CCO2)cc1 ZINC000294687316 328282536 /nfs/dbraw/zinc/28/25/36/328282536.db2.gz SXHPCIQSJNABLW-NXHRZFHOSA-N 1 1 284.403 3.315 20 30 CGEDMO CCc1ccc([C@@H]2C[N@H+]([C@@H]3CC[C@@H](C#N)C3)CCO2)cc1 ZINC000294687316 328282538 /nfs/dbraw/zinc/28/25/38/328282538.db2.gz SXHPCIQSJNABLW-NXHRZFHOSA-N 1 1 284.403 3.315 20 30 CGEDMO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@H+]1CCOCCC#N ZINC000296554403 328291157 /nfs/dbraw/zinc/29/11/57/328291157.db2.gz CCOYZNVJEGOIDP-VYDXJSESSA-N 1 1 272.392 3.183 20 30 CGEDMO CC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000565047388 322057007 /nfs/dbraw/zinc/05/70/07/322057007.db2.gz PQRZZQQWXCUFOV-CQSZACIVSA-N 1 1 273.336 3.231 20 30 CGEDMO CCC[C@@H](C)C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000565391779 322075695 /nfs/dbraw/zinc/07/56/95/322075695.db2.gz XWIMTWOTHOSXQL-OAHLLOKOSA-N 1 1 274.408 3.443 20 30 CGEDMO C[C@@H]1CCCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000566300617 322114486 /nfs/dbraw/zinc/11/44/86/322114486.db2.gz IHOIZZUZNQSGQD-GFCCVEGCSA-N 1 1 273.336 3.088 20 30 CGEDMO C[C@@H]1C[C@H](Nc2ccc(Cl)cc2C#N)C[N@H+]1C1CC1 ZINC000569635160 322252545 /nfs/dbraw/zinc/25/25/45/322252545.db2.gz QOYIWFNROGJBPJ-MFKMUULPSA-N 1 1 275.783 3.249 20 30 CGEDMO C#CC[NH+](Cc1cccc(C#N)c1)Cc1cccc(C#N)c1 ZINC000047550525 326859651 /nfs/dbraw/zinc/85/96/51/326859651.db2.gz MUFYLXRPXDVYQN-UHFFFAOYSA-N 1 1 285.350 3.065 20 30 CGEDMO C=C(Br)C[NH2+][C@@H](C)c1ccccc1OC ZINC000088162759 327016867 /nfs/dbraw/zinc/01/68/67/327016867.db2.gz AGYCCTOYXMYLHM-JTQLQIEISA-N 1 1 270.170 3.254 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc2ccccc2n(C)c1=O ZINC000569468713 327182258 /nfs/dbraw/zinc/18/22/58/327182258.db2.gz HSOSBDYVLCFCDF-INIZCTEOSA-N 1 1 282.387 3.079 20 30 CGEDMO N#CCC[NH2+]Cc1ccc(OC2CCCCC2)cc1 ZINC000569594611 327207719 /nfs/dbraw/zinc/20/77/19/327207719.db2.gz FRBWRMNTKXFPNX-UHFFFAOYSA-N 1 1 258.365 3.401 20 30 CGEDMO CCOc1cccc([C@@H](C)[NH2+]C[C@@H](C#N)CCC#N)c1 ZINC000112537337 327286405 /nfs/dbraw/zinc/28/64/05/327286405.db2.gz GNYDULNXTUFPRU-ZIAGYGMSSA-N 1 1 271.364 3.179 20 30 CGEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000150880410 327394389 /nfs/dbraw/zinc/39/43/89/327394389.db2.gz BEWCRFBHJUJDIL-UHFFFAOYSA-N 1 1 285.391 3.175 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000563925081 328836982 /nfs/dbraw/zinc/83/69/82/328836982.db2.gz XQKDALBGPZWBRE-MRXNPFEDSA-N 1 1 295.386 3.442 20 30 CGEDMO C=CCC[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccco1 ZINC000377758531 329028270 /nfs/dbraw/zinc/02/82/70/329028270.db2.gz XGZFWJLITJUXMM-JSGCOSHPSA-N 1 1 271.364 3.157 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000173988522 329153640 /nfs/dbraw/zinc/15/36/40/329153640.db2.gz KAQZBGPGAAAYQS-KRWDZBQOSA-N 1 1 259.393 3.491 20 30 CGEDMO Cc1cccc(C)c1OCC[N@H+](CCC#N)CC1CC1 ZINC000177030085 329178401 /nfs/dbraw/zinc/17/84/01/329178401.db2.gz NHBGLYCJSRUTQK-UHFFFAOYSA-N 1 1 272.392 3.308 20 30 CGEDMO Cc1cccc(C)c1OCC[N@@H+](CCC#N)CC1CC1 ZINC000177030085 329178402 /nfs/dbraw/zinc/17/84/02/329178402.db2.gz NHBGLYCJSRUTQK-UHFFFAOYSA-N 1 1 272.392 3.308 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1nc2c(cccc2F)n1CC ZINC000181277924 329229149 /nfs/dbraw/zinc/22/91/49/329229149.db2.gz KYAOSLUJBAWCJR-UHFFFAOYSA-N 1 1 261.344 3.203 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1nc2c(cccc2F)n1CC ZINC000181277924 329229151 /nfs/dbraw/zinc/22/91/51/329229151.db2.gz KYAOSLUJBAWCJR-UHFFFAOYSA-N 1 1 261.344 3.203 20 30 CGEDMO C[C@H](C#N)C[N@@H+](CC1CCC(F)(F)CC1)C1CC1 ZINC000459376977 329231683 /nfs/dbraw/zinc/23/16/83/329231683.db2.gz OUOMVBPPKYBKDY-LLVKDONJSA-N 1 1 256.340 3.436 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000184093215 329256052 /nfs/dbraw/zinc/25/60/52/329256052.db2.gz GPOICCDCECZRCN-GFCCVEGCSA-N 1 1 286.297 3.410 20 30 CGEDMO C=CC1CC[NH+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000184212971 329257440 /nfs/dbraw/zinc/25/74/40/329257440.db2.gz RZPQRQKXGUGBFK-UHFFFAOYSA-N 1 1 294.326 3.141 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000185912775 329332499 /nfs/dbraw/zinc/33/24/99/329332499.db2.gz OCLDIUQIPGUJTA-ZMSDIMECSA-N 1 1 290.451 3.064 20 30 CGEDMO C#CCC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000270680650 330076684 /nfs/dbraw/zinc/07/66/84/330076684.db2.gz YRQNUEZTTRQGEI-CABCVRRESA-N 1 1 277.433 3.440 20 30 CGEDMO C[N@@H+](CCCc1nc(-c2ccccc2)no1)CC(C)(C)C#N ZINC000433300852 330216886 /nfs/dbraw/zinc/21/68/86/330216886.db2.gz FIQUMNSKMXLNBP-UHFFFAOYSA-N 1 1 298.390 3.151 20 30 CGEDMO C[C@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3CC[C@H](C#N)C3)CC2)C1 ZINC000424337097 330343522 /nfs/dbraw/zinc/34/35/22/330343522.db2.gz YWBGMGRVNUDPBI-CWLKWCNXSA-N 1 1 289.467 3.311 20 30 CGEDMO C[C@@H]([N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1)C(C)(C)C ZINC000533249231 330355272 /nfs/dbraw/zinc/35/52/72/330355272.db2.gz BHEWYQGXEMHHAH-CQSZACIVSA-N 1 1 293.455 3.038 20 30 CGEDMO C=C(CC)C[N@@H+]1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC000536932934 330367712 /nfs/dbraw/zinc/36/77/12/330367712.db2.gz CHDSAHYTBAAJGN-CYBMUJFWSA-N 1 1 253.386 3.149 20 30 CGEDMO C=C(CC)C[N@H+]1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC000536932934 330367713 /nfs/dbraw/zinc/36/77/13/330367713.db2.gz CHDSAHYTBAAJGN-CYBMUJFWSA-N 1 1 253.386 3.149 20 30 CGEDMO COc1ccc(C)[nH+]c1NC1CCC(C)(C#N)CC1 ZINC000449190902 330905148 /nfs/dbraw/zinc/90/51/48/330905148.db2.gz RMJPBOJGUVTEHY-UHFFFAOYSA-N 1 1 259.353 3.283 20 30 CGEDMO C=CCC[C@@H](CO)[NH2+][C@H](CCc1ccccc1)C(F)F ZINC000449700760 330944726 /nfs/dbraw/zinc/94/47/26/330944726.db2.gz UUTWACGFRDKTJD-LSDHHAIUSA-N 1 1 283.362 3.170 20 30 CGEDMO C=C(CC)C[NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000449733714 330946500 /nfs/dbraw/zinc/94/65/00/330946500.db2.gz JKJJRZQFMFXPJY-UHFFFAOYSA-N 1 1 294.761 3.116 20 30 CGEDMO C=C(C)CN1C[C@H](C)[N@H+](CC(=C)C)CC12CCCC2 ZINC000451339873 331024889 /nfs/dbraw/zinc/02/48/89/331024889.db2.gz KAAOOYQYDLFBHQ-INIZCTEOSA-N 1 1 262.441 3.458 20 30 CGEDMO C=C(C)CN1CC2(CCCC2)[N@@H+](CC(=C)C)C[C@@H]1C ZINC000451339873 331024891 /nfs/dbraw/zinc/02/48/91/331024891.db2.gz KAAOOYQYDLFBHQ-INIZCTEOSA-N 1 1 262.441 3.458 20 30 CGEDMO C=C(C)CN1CC2(CCCC2)[N@H+](CC(=C)C)C[C@@H]1C ZINC000451339873 331024892 /nfs/dbraw/zinc/02/48/92/331024892.db2.gz KAAOOYQYDLFBHQ-INIZCTEOSA-N 1 1 262.441 3.458 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@H]1C ZINC000451538635 331033050 /nfs/dbraw/zinc/03/30/50/331033050.db2.gz DNKBCOALWCPEKU-RHSMWYFYSA-N 1 1 286.419 3.345 20 30 CGEDMO C[C@@H]1CN(Cc2ccccc2)CC[N@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000451705267 331039686 /nfs/dbraw/zinc/03/96/86/331039686.db2.gz IEKDCLDEBGYELP-NZSAHSFTSA-N 1 1 297.446 3.133 20 30 CGEDMO C[C@H]1CN([C@@H]2CC[C@H](C#N)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000451705267 331039687 /nfs/dbraw/zinc/03/96/87/331039687.db2.gz IEKDCLDEBGYELP-NZSAHSFTSA-N 1 1 297.446 3.133 20 30 CGEDMO C[C@H]1CN([C@@H]2CC[C@H](C#N)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000451705267 331039688 /nfs/dbraw/zinc/03/96/88/331039688.db2.gz IEKDCLDEBGYELP-NZSAHSFTSA-N 1 1 297.446 3.133 20 30 CGEDMO C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1nc(C(C)(C)C)no1 ZINC000194859336 331066374 /nfs/dbraw/zinc/06/63/74/331066374.db2.gz IFHUHVSGYUIHDL-SRVKXCTJSA-N 1 1 276.384 3.100 20 30 CGEDMO C[C@H]1C[C@@H](Nc2cccc(OCCCC#N)c2)C[N@H+]1C1CC1 ZINC000163990489 331147018 /nfs/dbraw/zinc/14/70/18/331147018.db2.gz HLIUKQTUOPTAIR-GOEBONIOSA-N 1 1 299.418 3.406 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000459300705 331275292 /nfs/dbraw/zinc/27/52/92/331275292.db2.gz QPBHREIWOMWKJU-INIZCTEOSA-N 1 1 288.435 3.310 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccccc1N1CCO[C@H](C)C1 ZINC000459300708 331275377 /nfs/dbraw/zinc/27/53/77/331275377.db2.gz QPBHREIWOMWKJU-MRXNPFEDSA-N 1 1 288.435 3.310 20 30 CGEDMO N#CC1(F)CC[NH+](CCc2cccc(Cl)c2)CC1 ZINC000459537989 331286564 /nfs/dbraw/zinc/28/65/64/331286564.db2.gz DHLHJVDYFSBAJD-UHFFFAOYSA-N 1 1 266.747 3.210 20 30 CGEDMO CCOC[C@@H]1CCCC[N@H+]1CC(C)(C)CCC#N ZINC000459669021 331293312 /nfs/dbraw/zinc/29/33/12/331293312.db2.gz CQIIJTADWSNWPU-AWEZNQCLSA-N 1 1 252.402 3.207 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCC[C@H]2c2ccccc2)C1=O ZINC000459720173 331295590 /nfs/dbraw/zinc/29/55/90/331295590.db2.gz ZFDPEERSMFVARC-KSZLIROESA-N 1 1 298.430 3.041 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)N[C@H]1CCCc2ccccc21 ZINC000489446709 332053096 /nfs/dbraw/zinc/05/30/96/332053096.db2.gz IQKAYRLNLVAEIL-WMZOPIPTSA-N 1 1 298.430 3.221 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)N[C@H]1CCCc2ccccc21 ZINC000489446709 332053098 /nfs/dbraw/zinc/05/30/98/332053098.db2.gz IQKAYRLNLVAEIL-WMZOPIPTSA-N 1 1 298.430 3.221 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccn(-c2ccccc2)n1 ZINC000489449711 332053556 /nfs/dbraw/zinc/05/35/56/332053556.db2.gz OQOQVPBLPMBPPJ-MRXNPFEDSA-N 1 1 267.376 3.413 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccn(-c2ccccc2)n1 ZINC000489449711 332053557 /nfs/dbraw/zinc/05/35/57/332053557.db2.gz OQOQVPBLPMBPPJ-MRXNPFEDSA-N 1 1 267.376 3.413 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(C)cc1C ZINC000489450396 332053636 /nfs/dbraw/zinc/05/36/36/332053636.db2.gz QCOPFTNSYOCYMR-IRXDYDNUSA-N 1 1 289.419 3.084 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)NCCC1CCCCC1 ZINC000489457842 332054000 /nfs/dbraw/zinc/05/40/00/332054000.db2.gz CJNBUCASYQVCHM-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cccc(NC(C)=O)c1 ZINC000489477703 332055434 /nfs/dbraw/zinc/05/54/34/332055434.db2.gz JVWVYMYVAROTBK-MRXNPFEDSA-N 1 1 258.365 3.186 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1 ZINC000489492176 332056467 /nfs/dbraw/zinc/05/64/67/332056467.db2.gz CZFKKAUMDCDVFV-GJZGRUSLSA-N 1 1 295.810 3.120 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cn2c(cccc2C)n1 ZINC000489500612 332056852 /nfs/dbraw/zinc/05/68/52/332056852.db2.gz SMWXIDYHAODWSR-OAHLLOKOSA-N 1 1 255.365 3.183 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cn2c(cccc2C)n1 ZINC000489500612 332056854 /nfs/dbraw/zinc/05/68/54/332056854.db2.gz SMWXIDYHAODWSR-OAHLLOKOSA-N 1 1 255.365 3.183 20 30 CGEDMO C#C[C@H]([NH2+]Cc1ccc(F)cc1)c1ccc(F)cc1 ZINC000491313957 332187915 /nfs/dbraw/zinc/18/79/15/332187915.db2.gz CADKOQTUBQLJRS-INIZCTEOSA-N 1 1 257.283 3.429 20 30 CGEDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)CCCC(C)(C)C#N)C1(C)C ZINC000174882523 333009933 /nfs/dbraw/zinc/00/99/33/333009933.db2.gz IDEFGQKMSXPBCW-CJNGLKHVSA-N 1 1 266.429 3.452 20 30 CGEDMO C=CCOc1ccc(CNCC[N@H+](C)[C@H](C)CC)cc1 ZINC000217378623 333120872 /nfs/dbraw/zinc/12/08/72/333120872.db2.gz LTGCXLXRRFOUFW-OAHLLOKOSA-N 1 1 276.424 3.071 20 30 CGEDMO C=CCOc1ccc(C[NH2+]CCN(C)[C@H](C)CC)cc1 ZINC000217378623 333120873 /nfs/dbraw/zinc/12/08/73/333120873.db2.gz LTGCXLXRRFOUFW-OAHLLOKOSA-N 1 1 276.424 3.071 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000185077450 333135188 /nfs/dbraw/zinc/13/51/88/333135188.db2.gz YZIXGKLXSOGAAM-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO CC[C@H]1Cc2ccccc2C[N@H+]1CCCSCC#N ZINC000185786311 333148660 /nfs/dbraw/zinc/14/86/60/333148660.db2.gz YBCHGZSESLSNHS-INIZCTEOSA-N 1 1 274.433 3.470 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)CC[C@@H]1CCCO1 ZINC000189499565 333193670 /nfs/dbraw/zinc/19/36/70/333193670.db2.gz KHCXASGEXMFEJW-HNNXBMFYSA-N 1 1 252.402 3.207 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)CC[C@H]1CCCO1 ZINC000188914544 333176206 /nfs/dbraw/zinc/17/62/06/333176206.db2.gz VCTIOWXOAGQYPV-QGZVFWFLSA-N 1 1 259.393 3.286 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190205225 333204519 /nfs/dbraw/zinc/20/45/19/333204519.db2.gz WJCPVIMHFFNRMW-NEPJUHHUSA-N 1 1 279.346 3.224 20 30 CGEDMO C[N@H+](CC#Cc1ccccc1)CCOc1ccccc1F ZINC000191896895 333226909 /nfs/dbraw/zinc/22/69/09/333226909.db2.gz NCTUHBIKIYXSEK-UHFFFAOYSA-N 1 1 283.346 3.188 20 30 CGEDMO C[N@H+](CC#Cc1ccccc1)CCOCc1ccccc1 ZINC000192068309 333229262 /nfs/dbraw/zinc/22/92/62/333229262.db2.gz ATUMFLHHCGFRCD-UHFFFAOYSA-N 1 1 279.383 3.187 20 30 CGEDMO CCN1CCC([N@@H+](C)CCCCC(C)(C)C#N)CC1 ZINC000233468008 333352723 /nfs/dbraw/zinc/35/27/23/333352723.db2.gz JOFXWCAIWQTTKH-UHFFFAOYSA-N 1 1 265.445 3.123 20 30 CGEDMO C[C@@H]1CC[C@H]([N@H+](CC#Cc2cccc(Cl)c2)CCO)C1 ZINC000572529504 333383936 /nfs/dbraw/zinc/38/39/36/333383936.db2.gz WIOFCTRZMFJQOD-PBHICJAKSA-N 1 1 291.822 3.174 20 30 CGEDMO C=CCC[N@@H+](C)Cc1csc([C@H](C)OCC)n1 ZINC000075887949 334057507 /nfs/dbraw/zinc/05/75/07/334057507.db2.gz IHMPWNVCRDPLBO-NSHDSACASA-N 1 1 254.399 3.249 20 30 CGEDMO C=CCC[N@H+](C)Cc1csc([C@H](C)OCC)n1 ZINC000075887949 334057508 /nfs/dbraw/zinc/05/75/08/334057508.db2.gz IHMPWNVCRDPLBO-NSHDSACASA-N 1 1 254.399 3.249 20 30 CGEDMO Cc1ccccc1OCCC[N@@H+](CCC#N)CC1CC1 ZINC000081044339 334177172 /nfs/dbraw/zinc/17/71/72/334177172.db2.gz YHOAOJWSDWSWTQ-UHFFFAOYSA-N 1 1 272.392 3.390 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248889943 334320840 /nfs/dbraw/zinc/32/08/40/334320840.db2.gz FQRQANYKHGPPNB-RLFYNMQTSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(CC)C[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000564392787 334333729 /nfs/dbraw/zinc/33/37/29/334333729.db2.gz GNUMDKAHONOIJH-MRXNPFEDSA-N 1 1 256.393 3.090 20 30 CGEDMO C=C(C)COCCNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000090451432 334361444 /nfs/dbraw/zinc/36/14/44/334361444.db2.gz ZVPSTKFJWBAIGS-AEFFLSMTSA-N 1 1 294.483 3.212 20 30 CGEDMO N#CCc1ccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000565717115 334590868 /nfs/dbraw/zinc/59/08/68/334590868.db2.gz URVDLOKIOXRFEQ-GBESFXJTSA-N 1 1 297.446 3.153 20 30 CGEDMO CC[N@@H+](C[C@@H]1CCCC[C@@H]1O)[C@@H](C)c1ccc(C#N)cc1 ZINC000576456014 335205415 /nfs/dbraw/zinc/20/54/15/335205415.db2.gz QBQQHTZCUIDQCU-WBAXXEDZSA-N 1 1 286.419 3.492 20 30 CGEDMO C=CCCCC[N@@H+]1CCN(C2CCC2)C[C@H](C)C1 ZINC000581112866 336010059 /nfs/dbraw/zinc/01/00/59/336010059.db2.gz PABDWJJMCLAAPE-OAHLLOKOSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CCCCCN1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000581112866 336010061 /nfs/dbraw/zinc/01/00/61/336010061.db2.gz PABDWJJMCLAAPE-OAHLLOKOSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CCCCCN1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000581112866 336010062 /nfs/dbraw/zinc/01/00/62/336010062.db2.gz PABDWJJMCLAAPE-OAHLLOKOSA-N 1 1 250.430 3.149 20 30 CGEDMO C=C(C)CC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000381319115 336058967 /nfs/dbraw/zinc/05/89/67/336058967.db2.gz VOJAOCVRLYDRQI-GUDVDZBRSA-N 1 1 284.447 3.453 20 30 CGEDMO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1cn2ccccc2n1 ZINC000581384457 336066299 /nfs/dbraw/zinc/06/62/99/336066299.db2.gz XRZWMDHBFFHPHH-ZDUSSCGKSA-N 1 1 276.343 3.057 20 30 CGEDMO CC[C@H](C)[C@@H](C)[N@@H+](CC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000581421064 336074408 /nfs/dbraw/zinc/07/44/08/336074408.db2.gz JLFSRABOHGGSAU-UONOGXRCSA-N 1 1 299.418 3.396 20 30 CGEDMO CC(C)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000387106815 336185230 /nfs/dbraw/zinc/18/52/30/336185230.db2.gz AZCVHLAYDXORFT-MRXNPFEDSA-N 1 1 299.418 3.255 20 30 CGEDMO Cc1c(C#N)cccc1NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000355015469 533726380 /nfs/dbraw/zinc/72/63/80/533726380.db2.gz HYWSDUVXLSLVNV-HNNXBMFYSA-N 1 1 285.391 3.070 20 30 CGEDMO C[C@@H]1CC[C@]2(CC[N@@H+](CCOc3ccccc3C#N)C2)C1 ZINC000359553103 534265178 /nfs/dbraw/zinc/26/51/78/534265178.db2.gz HEJMWRSCMLUAAO-QAPCUYQASA-N 1 1 284.403 3.449 20 30 CGEDMO CC1(C)C[N@H+](Cc2ccc(C#N)s2)[C@@H]1[C@H]1CCCO1 ZINC000291516359 520476405 /nfs/dbraw/zinc/47/64/05/520476405.db2.gz ISJHIBWPAUSVNU-ZIAGYGMSSA-N 1 1 276.405 3.009 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)s2)[C@@H]1[C@H]1CCCO1 ZINC000291516359 520476410 /nfs/dbraw/zinc/47/64/10/520476410.db2.gz ISJHIBWPAUSVNU-ZIAGYGMSSA-N 1 1 276.405 3.009 20 30 CGEDMO N#CC1(C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000347482256 534549122 /nfs/dbraw/zinc/54/91/22/534549122.db2.gz PCDXVRXGVNNXQS-CYBMUJFWSA-N 1 1 260.768 3.433 20 30 CGEDMO Cc1sc(C[NH2+]Cc2cc(C#N)n(C)c2)nc1C(C)C ZINC000359723309 534607284 /nfs/dbraw/zinc/60/72/84/534607284.db2.gz RTYJDMXJZMGHKQ-UHFFFAOYSA-N 1 1 288.420 3.075 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCC[C@@]3(CCSC3)C2)cc1 ZINC000334656804 534718690 /nfs/dbraw/zinc/71/86/90/534718690.db2.gz ZKOBPJVNMSKSAW-QGZVFWFLSA-N 1 1 286.444 3.472 20 30 CGEDMO CCc1cc(N[C@H](C)c2ccc(C#N)cc2)nc(C)[nH+]1 ZINC000088058426 523824616 /nfs/dbraw/zinc/82/46/16/523824616.db2.gz ZRXTUFKMXMILSC-LLVKDONJSA-N 1 1 266.348 3.392 20 30 CGEDMO C[C@H]1CC[C@H](C)[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000088704558 524392966 /nfs/dbraw/zinc/39/29/66/524392966.db2.gz FUFZWVSNAKXJEV-KBPBESRZSA-N 1 1 285.391 3.007 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCOCC3(CCCC3)C2)cc1F ZINC000365250721 534779969 /nfs/dbraw/zinc/77/99/69/534779969.db2.gz AVFZTAGBQHAJIO-UHFFFAOYSA-N 1 1 288.366 3.090 20 30 CGEDMO C=CC[N@@H+](CCOc1ccc(C#N)cc1)CCc1ccco1 ZINC000352701522 526307995 /nfs/dbraw/zinc/30/79/95/526307995.db2.gz JUSMEUKXOLTFMH-UHFFFAOYSA-N 1 1 296.370 3.261 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)CCc1c(C)noc1C ZINC000352702267 526325748 /nfs/dbraw/zinc/32/57/48/526325748.db2.gz VBVBBFCTKWHAGF-UHFFFAOYSA-N 1 1 274.364 3.158 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cccc([N+](=O)[O-])c1 ZINC000352702436 526327163 /nfs/dbraw/zinc/32/71/63/526327163.db2.gz WRIYZXRWJFMQAC-UHFFFAOYSA-N 1 1 286.331 3.419 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1cnc([C@H]2CCCO2)s1 ZINC000353163773 526504154 /nfs/dbraw/zinc/50/41/54/526504154.db2.gz NQBXVVGUVYTBRL-GFCCVEGCSA-N 1 1 252.383 3.003 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cnc([C@H]2CCCO2)s1 ZINC000353163773 526504157 /nfs/dbraw/zinc/50/41/57/526504157.db2.gz NQBXVVGUVYTBRL-GFCCVEGCSA-N 1 1 252.383 3.003 20 30 CGEDMO C=CCOCCC[N@@H+](CCN1CCCCCC1)C1CCC1 ZINC000347484526 526749319 /nfs/dbraw/zinc/74/93/19/526749319.db2.gz WQNUTONLHUDRAV-UHFFFAOYSA-N 1 1 294.483 3.310 20 30 CGEDMO C=CCOCCCN(CC[NH+]1CCCCCC1)C1CCC1 ZINC000347484526 526749320 /nfs/dbraw/zinc/74/93/20/526749320.db2.gz WQNUTONLHUDRAV-UHFFFAOYSA-N 1 1 294.483 3.310 20 30 CGEDMO C=CCOCCCN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000347972487 526754842 /nfs/dbraw/zinc/75/48/42/526754842.db2.gz QRFFMIMRQCGOJT-SFHVURJKSA-N 1 1 294.483 3.023 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@H](C3CC3)C2)cc1OC ZINC000354078041 526871560 /nfs/dbraw/zinc/87/15/60/526871560.db2.gz MBLAHGXVSAJPIF-INIZCTEOSA-N 1 1 287.403 3.492 20 30 CGEDMO C=CC[C@@H](CC)NC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000347709412 527043114 /nfs/dbraw/zinc/04/31/14/527043114.db2.gz UIXFCPGBVUKGRO-HZPDHXFCSA-N 1 1 295.471 3.295 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000334788624 527499138 /nfs/dbraw/zinc/49/91/38/527499138.db2.gz YYBLHCGEUYBEGP-KBPBESRZSA-N 1 1 272.417 3.177 20 30 CGEDMO CC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCOC ZINC000347345739 527879323 /nfs/dbraw/zinc/87/93/23/527879323.db2.gz PVKFGSDUBWZODZ-UHFFFAOYSA-N 1 1 285.309 3.025 20 30 CGEDMO CCC[N@H+]1CC[C@@H](CN[C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000358581577 528254647 /nfs/dbraw/zinc/25/46/47/528254647.db2.gz YUYKZPJPWKCZER-ZFWWWQNUSA-N 1 1 289.398 3.080 20 30 CGEDMO CCCC[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437439183 528360551 /nfs/dbraw/zinc/36/05/51/528360551.db2.gz NPUOTTORYCTCOV-UHFFFAOYSA-N 1 1 268.307 3.392 20 30 CGEDMO CC[N@@H+](CCOc1ccc(C#N)cc1)Cc1occc1C ZINC000412047459 528573443 /nfs/dbraw/zinc/57/34/43/528573443.db2.gz VADMWVDCTUCEIY-UHFFFAOYSA-N 1 1 284.359 3.361 20 30 CGEDMO CC[N@H+](CCSc1ccccc1F)C[C@@H](C)C#N ZINC000353281916 528585686 /nfs/dbraw/zinc/58/56/86/528585686.db2.gz DHQNRHBPGGXJMV-LBPRGKRZSA-N 1 1 266.385 3.399 20 30 CGEDMO CC[N@@H+](CCSc1ccccc1F)C[C@@H](C)C#N ZINC000353281916 528585689 /nfs/dbraw/zinc/58/56/89/528585689.db2.gz DHQNRHBPGGXJMV-LBPRGKRZSA-N 1 1 266.385 3.399 20 30 CGEDMO CC[C@H]1C[N@@H+](CCCC(C)(C)C#N)[C@@H](CC)CN1C(C)=O ZINC000350473144 529285577 /nfs/dbraw/zinc/28/55/77/529285577.db2.gz FLJQVNBDUNDQGO-HOTGVXAUSA-N 1 1 293.455 3.038 20 30 CGEDMO CC[C@@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000359029830 529298521 /nfs/dbraw/zinc/29/85/21/529298521.db2.gz UPJBHKAYVPVPFZ-CQSZACIVSA-N 1 1 267.376 3.433 20 30 CGEDMO C[N@H+]1CCC[C@H](CNc2cc(C#N)ccc2C(F)(F)F)C1 ZINC000124230054 536386969 /nfs/dbraw/zinc/38/69/69/536386969.db2.gz ZXLHAKZTSPSXSP-GFCCVEGCSA-N 1 1 297.324 3.331 20 30 CGEDMO C=CCn1c(C)nn(C[N@H+]2CCCCC[C@@H]2C)c1=S ZINC000738225087 572366200 /nfs/dbraw/zinc/36/62/00/572366200.db2.gz RAZCYQPRMXHQEI-LBPRGKRZSA-N 1 1 280.441 3.131 20 30 CGEDMO C=CCn1c(C)nn(C[N@@H+]2CCCCC[C@@H]2C)c1=S ZINC000738225087 572366203 /nfs/dbraw/zinc/36/62/03/572366203.db2.gz RAZCYQPRMXHQEI-LBPRGKRZSA-N 1 1 280.441 3.131 20 30 CGEDMO CCCCCCCC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000737744402 572394319 /nfs/dbraw/zinc/39/43/19/572394319.db2.gz XUZVZVAYEUKDNM-HNNXBMFYSA-N 1 1 268.445 3.146 20 30 CGEDMO CCCCCCC[N@H+]1CCc2ccccc2[C@H]1C(N)=O ZINC000740877352 572464815 /nfs/dbraw/zinc/46/48/15/572464815.db2.gz CHJMCVZPXYKMIH-INIZCTEOSA-N 1 1 274.408 3.042 20 30 CGEDMO C=CCCC[N@H+](C)CN1C(=O)[C@@H](C)[C@@H]1c1ccccc1 ZINC000743363331 572653689 /nfs/dbraw/zinc/65/36/89/572653689.db2.gz FBUOMAHXVNIZQF-GOEBONIOSA-N 1 1 272.392 3.062 20 30 CGEDMO C=C1CC[NH+]([C@H]2CCCN(c3ccc(C)cc3)C2=O)CC1 ZINC000743847846 572687869 /nfs/dbraw/zinc/68/78/69/572687869.db2.gz SNZSYFTUBVCKGX-KRWDZBQOSA-N 1 1 284.403 3.142 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000744211621 572723553 /nfs/dbraw/zinc/72/35/53/572723553.db2.gz XSUHCLNVOPOXEM-LJQANCHMSA-N 1 1 281.399 3.451 20 30 CGEDMO C#CC[N@H+](C[C@H](O)c1ccc(F)c(F)c1)C1CCCCC1 ZINC000744213816 572724206 /nfs/dbraw/zinc/72/42/06/572724206.db2.gz ILOHKMTVEORODF-KRWDZBQOSA-N 1 1 293.357 3.266 20 30 CGEDMO C#CC[N@H+](Cc1cc(Br)ccc1F)C(C)C ZINC000746137831 572856146 /nfs/dbraw/zinc/85/61/46/572856146.db2.gz QWAZCKHKHOZEPR-UHFFFAOYSA-N 1 1 284.172 3.432 20 30 CGEDMO C#CC[N@@H+](Cc1cc(Br)ccc1F)C(C)C ZINC000746137831 572856151 /nfs/dbraw/zinc/85/61/51/572856151.db2.gz QWAZCKHKHOZEPR-UHFFFAOYSA-N 1 1 284.172 3.432 20 30 CGEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@H]1C ZINC000216786750 572858308 /nfs/dbraw/zinc/85/83/08/572858308.db2.gz ULZJEANHYDFPCM-NVXWUHKLSA-N 1 1 289.419 3.029 20 30 CGEDMO C#CC[N@@H+](CC)Cc1cnc(-c2ccccc2)s1 ZINC000746456961 572872280 /nfs/dbraw/zinc/87/22/80/572872280.db2.gz TZVPCGKEMAQNQJ-UHFFFAOYSA-N 1 1 256.374 3.265 20 30 CGEDMO C#CC[N@H+](CC)Cc1cnc(-c2ccccc2)s1 ZINC000746456961 572872282 /nfs/dbraw/zinc/87/22/82/572872282.db2.gz TZVPCGKEMAQNQJ-UHFFFAOYSA-N 1 1 256.374 3.265 20 30 CGEDMO C=CCCC[N@@H+](C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000749492989 573013380 /nfs/dbraw/zinc/01/33/80/573013380.db2.gz QTWRLVHJUIADRK-HNNXBMFYSA-N 1 1 294.439 3.426 20 30 CGEDMO C[N@@H+](CCC1CC1)Cc1cc(Cl)ccc1OCC#N ZINC000749532395 573017115 /nfs/dbraw/zinc/01/71/15/573017115.db2.gz XRRARHZKVOACHS-UHFFFAOYSA-N 1 1 278.783 3.474 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823894064 608383916 /nfs/dbraw/zinc/38/39/16/608383916.db2.gz GNVCJBFSRKNNEF-ZDUSSCGKSA-N 1 1 285.395 3.043 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(C)C)cc2)C[C@H]1C ZINC000947968382 613234473 /nfs/dbraw/zinc/23/44/73/613234473.db2.gz YQFDVLSNEJEHGI-CRAIPNDOSA-N 1 1 298.430 3.026 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C(C)C)C[C@H]1C ZINC000947369465 613238040 /nfs/dbraw/zinc/23/80/40/613238040.db2.gz MNJDQFAUJFJCBN-HZPDHXFCSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)c2cc(C)oc2C)CC1 ZINC000980689477 613255000 /nfs/dbraw/zinc/25/50/00/613255000.db2.gz FHCNFCLJILANHP-UHFFFAOYSA-N 1 1 290.407 3.011 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC)CC2)C1 ZINC000961296129 613256685 /nfs/dbraw/zinc/25/66/85/613256685.db2.gz DDQRMXBZCVTHSU-QGZVFWFLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C(C)C)C2)C1 ZINC000961149150 613273573 /nfs/dbraw/zinc/27/35/73/613273573.db2.gz VUIPVWHBQQMCEB-SJORKVTESA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)C2(C)CCC(C)CC2)C1 ZINC000980515405 613288010 /nfs/dbraw/zinc/28/80/10/613288010.db2.gz MBQQABGMPYVANR-PQUAAJSLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2ccsc2Cl)C1 ZINC000972482783 613291762 /nfs/dbraw/zinc/29/17/62/613291762.db2.gz MDLFTQBKCSTCFC-NSHDSACASA-N 1 1 298.839 3.124 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)C(C)(C)C2CC2)CC1 ZINC000948697259 613314539 /nfs/dbraw/zinc/31/45/39/613314539.db2.gz JCXZJZPAHXNVTK-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC2CC2)C1 ZINC000963229825 613315613 /nfs/dbraw/zinc/31/56/13/613315613.db2.gz IVUHTRKNFIUHPA-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C)s2)C1 ZINC000964719142 613324482 /nfs/dbraw/zinc/32/44/82/613324482.db2.gz WCYNRSBDAQAECO-OCCSQVGLSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)cs2)[C@@H](C)C1 ZINC000942030522 613328984 /nfs/dbraw/zinc/32/89/84/613328984.db2.gz YQVVDKGIERTPSX-UONOGXRCSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccsc2C)C[C@@H]1C ZINC000947280848 613330593 /nfs/dbraw/zinc/33/05/93/613330593.db2.gz HYBNCTPQYAYFGJ-GXTWGEPZSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccoc2CC)C[C@@H]1C ZINC000947265127 613330661 /nfs/dbraw/zinc/33/06/61/613330661.db2.gz DGMNLMDRPONBDD-UONOGXRCSA-N 1 1 290.407 3.001 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2sccc2C)[C@@H](C)C1 ZINC000941746527 613332019 /nfs/dbraw/zinc/33/20/19/613332019.db2.gz HHPAHIVGKMCXKJ-UONOGXRCSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2sccc2C)C[C@H]1C ZINC000946995709 613337363 /nfs/dbraw/zinc/33/73/63/613337363.db2.gz LQNZVMMBANNGGV-KGLIPLIRSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC=CCC2)C(C)(C)C1 ZINC000974914095 613338013 /nfs/dbraw/zinc/33/80/13/613338013.db2.gz FWOAUXFHYQZTQQ-HZPDHXFCSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccccc3)C[C@@H]2C1 ZINC000979485181 613343572 /nfs/dbraw/zinc/34/35/72/613343572.db2.gz QAQRSUODFZEXPM-KSZLIROESA-N 1 1 298.430 3.093 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)CC2CC(C)(C)C2)C1 ZINC000972157739 613369512 /nfs/dbraw/zinc/36/95/12/613369512.db2.gz GSOAONYPEJLRLB-AWEZNQCLSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)CC2CC(C)(C)C2)C1 ZINC000972157739 613369513 /nfs/dbraw/zinc/36/95/13/613369513.db2.gz GSOAONYPEJLRLB-AWEZNQCLSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccccc2)C[C@@H]1C ZINC000947005560 613378993 /nfs/dbraw/zinc/37/89/93/613378993.db2.gz QNZOCKKPZFEWKO-ZFWWWQNUSA-N 1 1 292.810 3.022 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2)C[C@@H]1C ZINC000947005560 613378994 /nfs/dbraw/zinc/37/89/94/613378994.db2.gz QNZOCKKPZFEWKO-ZFWWWQNUSA-N 1 1 292.810 3.022 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)C)C[C@H]2C1 ZINC000980226194 613380501 /nfs/dbraw/zinc/38/05/01/613380501.db2.gz PGYKGSQQSVGJRM-IHRRRGAJSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CC(C)C)CC2(C)C)C1 ZINC000941008249 613400381 /nfs/dbraw/zinc/40/03/81/613400381.db2.gz LGHCBNYZLJCUPV-HNNXBMFYSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CCCC)[C@H](C)C2)C1 ZINC000947702285 613400962 /nfs/dbraw/zinc/40/09/62/613400962.db2.gz LXMDMFKJAXOSFG-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=C1CCC(C(=O)N(C)[C@H]2CCC[N@H+](CCC)CC2)CC1 ZINC000948732717 613403451 /nfs/dbraw/zinc/40/34/51/613403451.db2.gz DMKFMLHCYPSILF-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](CCC)CC2(C)C)CC1 ZINC000940997057 613410210 /nfs/dbraw/zinc/41/02/10/613410210.db2.gz NIQKPFWYWYNILM-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[N@@H+](CC=C(C)C)CC1 ZINC000981887942 613473491 /nfs/dbraw/zinc/47/34/91/613473491.db2.gz UVIWALXHRULSKT-KRWDZBQOSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCCC2(C)C)C1 ZINC000957436326 613477214 /nfs/dbraw/zinc/47/72/14/613477214.db2.gz VMZMKEAGDHVTKN-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)c2cccc(C)c2C)C1 ZINC000957345672 613480173 /nfs/dbraw/zinc/48/01/73/613480173.db2.gz SSOAMUGQFXGXKX-UHFFFAOYSA-N 1 1 286.419 3.026 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)c2cccc(C3CC3)c2)C1 ZINC000957433932 613480425 /nfs/dbraw/zinc/48/04/25/613480425.db2.gz DXFUTYXHSOSHKB-UHFFFAOYSA-N 1 1 298.430 3.286 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC1(C)C ZINC000968994257 613490998 /nfs/dbraw/zinc/49/09/98/613490998.db2.gz RIFLWYDZZIPBEX-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1occc1C ZINC000968750218 613491075 /nfs/dbraw/zinc/49/10/75/613491075.db2.gz IKYRPPCDOVXITL-OAHLLOKOSA-N 1 1 290.407 3.139 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)c2csc(C)c2C)CC1 ZINC000981240489 613499185 /nfs/dbraw/zinc/49/91/85/613499185.db2.gz KXRKOVOPCJUYSC-UHFFFAOYSA-N 1 1 292.448 3.089 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)C2CC2)CC1 ZINC000948701757 613499216 /nfs/dbraw/zinc/49/92/16/613499216.db2.gz YKAABMQEGFJICN-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC=CCC2)CC1 ZINC000948169690 613501042 /nfs/dbraw/zinc/50/10/42/613501042.db2.gz PXBFNAGWUJEXKG-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C2CC3(CCC3)C2)C[C@H]1C ZINC000947624887 613520040 /nfs/dbraw/zinc/52/00/40/613520040.db2.gz NYEPTEAXFRTGCI-GDBMZVCRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)C2CCC=CCC2)[C@H](C)C1 ZINC000944994688 613520189 /nfs/dbraw/zinc/52/01/89/613520189.db2.gz NJZKASNLOKZGAR-NVXWUHKLSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC)o2)C[C@H]1C ZINC000947460529 613523598 /nfs/dbraw/zinc/52/35/98/613523598.db2.gz VGCOVYYBGYFORV-ZIAGYGMSSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccccc2C)C1 ZINC000964767728 613532547 /nfs/dbraw/zinc/53/25/47/613532547.db2.gz BDPXROPXHPLHMW-DOTOQJQBSA-N 1 1 286.419 3.011 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CC2=CCCCC2)C[C@H]1C ZINC000947142292 613534902 /nfs/dbraw/zinc/53/49/02/613534902.db2.gz AQYGVXFPRLFKOZ-WBVHZDCISA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2occc2CC)C[C@H]1C ZINC000947690461 613542576 /nfs/dbraw/zinc/54/25/76/613542576.db2.gz WXRDIWDIYXUFBB-HIFRSBDPSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](NC(=O)C2CCC(=C)CC2)C(C)(C)C1 ZINC000975012929 613543501 /nfs/dbraw/zinc/54/35/01/613543501.db2.gz QDUMRAKQJWVKDP-MRXNPFEDSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](NC(=O)[C@@]2(C)CC=CCC2)C(C)(C)C1 ZINC000974621104 613544832 /nfs/dbraw/zinc/54/48/32/613544832.db2.gz LNQXTGAKBGXDME-QAPCUYQASA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C(CC)CC)CC[C@@H]2C1 ZINC000946482992 613558523 /nfs/dbraw/zinc/55/85/23/613558523.db2.gz FUGAXBHMZLKVLO-CALCHBBNSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccccc3)CC[C@@H]2C1 ZINC000946457257 613559121 /nfs/dbraw/zinc/55/91/21/613559121.db2.gz INJMVORXLJDUBH-HDICACEKSA-N 1 1 298.430 3.047 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)C2(C)CCCCCC2)CC1 ZINC000981354033 613688402 /nfs/dbraw/zinc/68/84/02/613688402.db2.gz QQAMRTFFRRQECR-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)CC2=CCCCC2)CC1 ZINC000948249424 613703954 /nfs/dbraw/zinc/70/39/54/613703954.db2.gz ROPLCBCLGCLOFT-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)C2CC3(CCC3)C2)CC1 ZINC000948676405 613704294 /nfs/dbraw/zinc/70/42/94/613704294.db2.gz VMXQOELLPDAKNP-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@]23C[C@H]2CCCC3)CC1 ZINC000948758369 613704606 /nfs/dbraw/zinc/70/46/06/613704606.db2.gz FSQFFEQUSMOWLC-SOLBZPMBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)c2ccc(Cl)o2)CC1 ZINC000948192542 613705172 /nfs/dbraw/zinc/70/51/72/613705172.db2.gz SQDDIIZCVFECLP-LBPRGKRZSA-N 1 1 296.798 3.046 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2(C)CCC2)C1 ZINC000963339850 613706377 /nfs/dbraw/zinc/70/63/77/613706377.db2.gz MEYUNQYKHCSYLY-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000968609961 613730048 /nfs/dbraw/zinc/73/00/48/613730048.db2.gz MOMAWGQLJVOXCX-HIFRSBDPSA-N 1 1 298.386 3.059 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)C2(C)CCCCCC2)[C@@H](C)C1 ZINC000942133877 613740274 /nfs/dbraw/zinc/74/02/74/613740274.db2.gz HWSUYFIEGFODDD-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)CC2CCCCC2)C[C@H]1C ZINC000947027804 613742903 /nfs/dbraw/zinc/74/29/03/613742903.db2.gz VAYRZQQKHNZCBN-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)C2CCCC2)C(C)(C)C1 ZINC000941157526 613746914 /nfs/dbraw/zinc/74/69/14/613746914.db2.gz DHAYLQYOCMUTTN-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)CC)C2)C1 ZINC000961242823 613765875 /nfs/dbraw/zinc/76/58/75/613765875.db2.gz WHOBMBKAHWVIQX-HZPDHXFCSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC(C)(C)C)C2)C1 ZINC000961089335 613766221 /nfs/dbraw/zinc/76/62/21/613766221.db2.gz FRNSJTGIUCWCJB-JKSUJKDBSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)C(F)=C2CCCC2)C(C)(C)C1 ZINC000940673597 613779586 /nfs/dbraw/zinc/77/95/86/613779586.db2.gz PSAHHUVHXBVCAJ-AWEZNQCLSA-N 1 1 294.414 3.187 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C3CC3)c2)C[C@H]1C ZINC000948078862 613791358 /nfs/dbraw/zinc/79/13/58/613791358.db2.gz PICJWNZVPNUQMC-KDOFPFPSSA-N 1 1 298.430 3.333 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2sccc2Cl)C[C@@H]1C ZINC000947329265 613801987 /nfs/dbraw/zinc/80/19/87/613801987.db2.gz WGRGUTFYFKQPRF-QWRGUYRKSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(C)cc3)C[C@@H]2C1 ZINC000980215502 613834292 /nfs/dbraw/zinc/83/42/92/613834292.db2.gz LKRPNIKPRJGKSL-RCCFBDPRSA-N 1 1 298.430 3.011 20 30 CGEDMO C=CC[C@H]1CCN1C(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000890549584 617634418 /nfs/dbraw/zinc/63/44/18/617634418.db2.gz BHRAPZVWIHXBBK-MSOLQXFVSA-N 1 1 298.430 3.286 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(COc2ccccc2)no1 ZINC000899994585 620743083 /nfs/dbraw/zinc/74/30/83/620743083.db2.gz HOWYTELLKLKSCR-ZDUSSCGKSA-N 1 1 273.336 3.005 20 30 CGEDMO C[C@@H]1SCC[N@@H+](CCCOc2ccc(C#N)cc2)[C@H]1C ZINC000134773150 617749268 /nfs/dbraw/zinc/74/92/68/617749268.db2.gz HWDPORYLAGPQRY-KBPBESRZSA-N 1 1 290.432 3.153 20 30 CGEDMO C#CC[C@@H](Cc1ccccc1)Nc1cc(C)[nH+]c(CC)n1 ZINC000804808396 617849469 /nfs/dbraw/zinc/84/94/69/617849469.db2.gz SBFNMKZGOWEUFU-INIZCTEOSA-N 1 1 279.387 3.394 20 30 CGEDMO C=C(C)c1cccc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)c1 ZINC000890889968 617891716 /nfs/dbraw/zinc/89/17/16/617891716.db2.gz DFUXBKMWPOHXTD-INIZCTEOSA-N 1 1 270.376 3.285 20 30 CGEDMO C#Cc1cccc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000177632911 617952980 /nfs/dbraw/zinc/95/29/80/617952980.db2.gz AQYMCSOEWNOYIW-MRXNPFEDSA-N 1 1 296.414 3.261 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)/C(C)=C\C)C1 ZINC001021555347 618040037 /nfs/dbraw/zinc/04/00/37/618040037.db2.gz UBWSIQMXTUJXAB-PACMQTEUSA-N 1 1 290.451 3.232 20 30 CGEDMO CC(C)(C)OC1CC[NH+](Cc2csc(C#N)c2)CC1 ZINC000891788688 618297253 /nfs/dbraw/zinc/29/72/53/618297253.db2.gz DOWVZUAEKSBELO-UHFFFAOYSA-N 1 1 278.421 3.399 20 30 CGEDMO CC(=NNc1cc[nH+]cc1)c1ccc(C(F)(F)F)cc1 ZINC000779809016 618383735 /nfs/dbraw/zinc/38/37/35/618383735.db2.gz KEGNGQSGGBYVNS-UHFFFAOYSA-N 1 1 279.265 3.358 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCCSC[C@@H]1C ZINC000934298417 618581587 /nfs/dbraw/zinc/58/15/87/618581587.db2.gz GERIOZJPOVVUHA-ZDUSSCGKSA-N 1 1 260.406 3.194 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1cnc(-c2ccccc2)o1 ZINC000934461597 618624627 /nfs/dbraw/zinc/62/46/27/618624627.db2.gz YXVCQGIZXDXBRX-CQSZACIVSA-N 1 1 254.333 3.492 20 30 CGEDMO C#CC[N@H+](Cc1cc(C#N)ccc1F)C1CCCC1 ZINC000155916449 618706689 /nfs/dbraw/zinc/70/66/89/618706689.db2.gz QYSWNBJOTDLQQN-UHFFFAOYSA-N 1 1 256.324 3.075 20 30 CGEDMO CC[C@@H]([NH2+]Cc1ccnc(F)c1)c1cccc(C#N)c1O ZINC000926788723 618892681 /nfs/dbraw/zinc/89/26/81/618892681.db2.gz KCQAYCVLEMFRMN-CQSZACIVSA-N 1 1 285.322 3.039 20 30 CGEDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000784012361 618923987 /nfs/dbraw/zinc/92/39/87/618923987.db2.gz IHESSFLTSANDON-MRXNPFEDSA-N 1 1 258.365 3.135 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CCCC1)c1cnnn1-c1ccccc1 ZINC000926873458 618960008 /nfs/dbraw/zinc/96/00/08/618960008.db2.gz GDPPZHXFXKOBMH-AWEZNQCLSA-N 1 1 295.390 3.002 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCCC[C@H]1C1(O)CC1 ZINC000930693623 619059007 /nfs/dbraw/zinc/05/90/07/619059007.db2.gz QXBSXVBUJVXQQV-KRWDZBQOSA-N 1 1 284.403 3.055 20 30 CGEDMO N#Cc1ccc(CN[C@H](CCC[NH3+])c2ccccc2)c(F)c1 ZINC000925608710 619085564 /nfs/dbraw/zinc/08/55/64/619085564.db2.gz IDHSHRCYVACQII-GOSISDBHSA-N 1 1 297.377 3.267 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CCC[N@@H+](C/C=C/Cl)C2)CC1 ZINC001008416920 619094199 /nfs/dbraw/zinc/09/41/99/619094199.db2.gz JMPQVWQWJZINLQ-RUGXIKGKSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+](C/C=C/Cl)C2)CC1 ZINC001008416920 619094201 /nfs/dbraw/zinc/09/42/01/619094201.db2.gz JMPQVWQWJZINLQ-RUGXIKGKSA-N 1 1 296.842 3.066 20 30 CGEDMO CC(C)Oc1ccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C#N ZINC000893434091 619174396 /nfs/dbraw/zinc/17/43/96/619174396.db2.gz PYMDQNBYJOUDNW-ALOPSCKCSA-N 1 1 299.418 3.383 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CCS[C@H](C)CC1 ZINC000190694091 619208592 /nfs/dbraw/zinc/20/85/92/619208592.db2.gz NHBRZLIIXSFAIF-CQSZACIVSA-N 1 1 275.417 3.026 20 30 CGEDMO C[C@H](CC(C)(C)C#N)[NH2+]Cc1nc(-c2ccccc2)no1 ZINC000893621505 619243986 /nfs/dbraw/zinc/24/39/86/619243986.db2.gz OXQXAYTZRDFNMK-GFCCVEGCSA-N 1 1 284.363 3.155 20 30 CGEDMO CC(=O)C1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000163118057 619375319 /nfs/dbraw/zinc/37/53/19/619375319.db2.gz KDFHEHHRGOHUIJ-UHFFFAOYSA-N 1 1 276.767 3.013 20 30 CGEDMO NC(=[NH+]OCc1noc(C2CCCCC2)n1)C1CCCC1 ZINC000178771605 619384853 /nfs/dbraw/zinc/38/48/53/619384853.db2.gz VDWGJVCKWOGVTA-UHFFFAOYSA-N 1 1 292.383 3.096 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000894415775 619528239 /nfs/dbraw/zinc/52/82/39/619528239.db2.gz NZQKQJXCSXVOBX-NSHDSACASA-N 1 1 292.370 3.043 20 30 CGEDMO C=CCCCCCCNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000894833373 619646705 /nfs/dbraw/zinc/64/67/05/619646705.db2.gz SURAPVXVJABVLE-CVEARBPZSA-N 1 1 293.455 3.001 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)cs1 ZINC000895082357 619719674 /nfs/dbraw/zinc/71/96/74/619719674.db2.gz OJKKABPEFPWRLK-HIFRSBDPSA-N 1 1 276.405 3.011 20 30 CGEDMO Cc1ccc(CO[NH+]=C(N)CCc2ccccc2)cc1 ZINC000049322515 619733398 /nfs/dbraw/zinc/73/33/98/619733398.db2.gz KYZGPUGMODWSIZ-UHFFFAOYSA-N 1 1 268.360 3.417 20 30 CGEDMO Cc1cnc(Cl)c(C[N@@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000895313446 619804507 /nfs/dbraw/zinc/80/45/07/619804507.db2.gz GPYBTUBZRCURCO-LBPRGKRZSA-N 1 1 263.772 3.169 20 30 CGEDMO Cc1cnc(Cl)c(C[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000895313446 619804509 /nfs/dbraw/zinc/80/45/09/619804509.db2.gz GPYBTUBZRCURCO-LBPRGKRZSA-N 1 1 263.772 3.169 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2cn3ccnc3s2)C1 ZINC000895337763 619807050 /nfs/dbraw/zinc/80/70/50/619807050.db2.gz LKASEFDQEIFQBB-LBPRGKRZSA-N 1 1 261.394 3.184 20 30 CGEDMO Cc1cc(C[N@@H+]2CCc3c(CC#N)cccc3C2)cnc1F ZINC000895667290 619867909 /nfs/dbraw/zinc/86/79/09/619867909.db2.gz GPUKHAHRUVWPIV-UHFFFAOYSA-N 1 1 295.361 3.154 20 30 CGEDMO Cc1cc(C[N@H+]2CCc3c(CC#N)cccc3C2)cnc1F ZINC000895667290 619867911 /nfs/dbraw/zinc/86/79/11/619867911.db2.gz GPUKHAHRUVWPIV-UHFFFAOYSA-N 1 1 295.361 3.154 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCC[C@@H](C#N)C2)c(-c2ccnn2C)c1 ZINC000896503774 620018057 /nfs/dbraw/zinc/01/80/57/620018057.db2.gz NGNUFGJPLUSOAG-HNNXBMFYSA-N 1 1 294.402 3.131 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@@H](C#N)C2)c(-c2ccnn2C)c1 ZINC000896503774 620018058 /nfs/dbraw/zinc/01/80/58/620018058.db2.gz NGNUFGJPLUSOAG-HNNXBMFYSA-N 1 1 294.402 3.131 20 30 CGEDMO CCOc1ccc(O)c(/C=N/CCCC[N@@H+](C)C2CC2)c1 ZINC000840711666 620139756 /nfs/dbraw/zinc/13/97/56/620139756.db2.gz YKOLEGNWYRQUBP-QGOAFFKASA-N 1 1 290.407 3.084 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)CC2=CCCCC2)CC1 ZINC000985332920 620173808 /nfs/dbraw/zinc/17/38/08/620173808.db2.gz UREZWWNFSHEHQW-UHFFFAOYSA-N 1 1 290.451 3.376 20 30 CGEDMO C[C@@H]1[C@H](C)C[N@@H+](Cc2ccc(OCC#N)cc2)[C@H]1C ZINC000842165978 620190336 /nfs/dbraw/zinc/19/03/36/620190336.db2.gz HFUBSURNCCRUGS-MCIONIFRSA-N 1 1 258.365 3.065 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)C23CCC(CC2)C3)CC1 ZINC000985501510 620202286 /nfs/dbraw/zinc/20/22/86/620202286.db2.gz JWRRCYBOHGEYGL-UHFFFAOYSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)C2(CC)CCC2)CC1 ZINC000985584112 620215891 /nfs/dbraw/zinc/21/58/91/620215891.db2.gz CTGRBDPCDCWGOF-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC000985637400 620224203 /nfs/dbraw/zinc/22/42/03/620224203.db2.gz LDWLQLYKCAXXPE-OAHLLOKOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)[C@H](C)CC2CCCC2)CC1 ZINC000985689131 620229723 /nfs/dbraw/zinc/22/97/23/620229723.db2.gz PJHAZBWOPQCQNU-OAHLLOKOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)[C@H]2CC[C@H](CC)CC2)CC1 ZINC000985761305 620236580 /nfs/dbraw/zinc/23/65/80/620236580.db2.gz IDTYLBXSQIVVLU-WKILWMFISA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000985763318 620236981 /nfs/dbraw/zinc/23/69/81/620236981.db2.gz YJOMGXQGPKTRQN-UHFFFAOYSA-N 1 1 292.810 3.062 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)c2cccc(C3CC3)c2)CC1 ZINC000985811334 620241337 /nfs/dbraw/zinc/24/13/37/620241337.db2.gz MYZDIYPXZAIYTO-UHFFFAOYSA-N 1 1 298.430 3.286 20 30 CGEDMO CC(C)CC(N)=[NH+]OCc1cc(F)cc2cccnc21 ZINC000067711904 620375674 /nfs/dbraw/zinc/37/56/74/620375674.db2.gz RXQDAZNJORPHFO-UHFFFAOYSA-N 1 1 275.327 3.209 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000785997238 620393652 /nfs/dbraw/zinc/39/36/52/620393652.db2.gz KGDBBBFURWXVKO-CQSZACIVSA-N 1 1 277.339 3.274 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000785997238 620393653 /nfs/dbraw/zinc/39/36/53/620393653.db2.gz KGDBBBFURWXVKO-CQSZACIVSA-N 1 1 277.339 3.274 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1cc2c(cc[nH]c2=O)o1 ZINC000898244292 620496532 /nfs/dbraw/zinc/49/65/32/620496532.db2.gz FVVNOZVKWPKLGX-UHFFFAOYSA-N 1 1 260.337 3.322 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2c(C)oc3ccccc32)C1 ZINC001014549500 620549584 /nfs/dbraw/zinc/54/95/84/620549584.db2.gz LVEBEDARTVVAHG-CQSZACIVSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)C(C)=C3CCC3)CCC[C@H]12 ZINC000990616219 620557731 /nfs/dbraw/zinc/55/77/31/620557731.db2.gz RLAMRJHDDBWZAN-WMZOPIPTSA-N 1 1 288.435 3.176 20 30 CGEDMO CC1(C)C[NH2+]CC[C@H](NC2(c3ccc(C#N)cc3)CCC2)C1 ZINC000902393038 621302630 /nfs/dbraw/zinc/30/26/30/621302630.db2.gz NQFRPIWIJGUGHQ-KRWDZBQOSA-N 1 1 297.446 3.305 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@@]1(C)Cc1ccccc1 ZINC000801941965 621550356 /nfs/dbraw/zinc/55/03/56/621550356.db2.gz DGUZURRHSWQSGL-RDJZCZTQSA-N 1 1 272.392 3.012 20 30 CGEDMO CC[C@H]([NH2+][C@H](c1nncn1C)C(C)C)c1ccc(C#N)cc1 ZINC000903067245 621553123 /nfs/dbraw/zinc/55/31/23/621553123.db2.gz ZONDRQLNRKZQRP-HOTGVXAUSA-N 1 1 297.406 3.125 20 30 CGEDMO COc1cc([C@H](C)[NH2+]CC(C)(C)C#N)ccc1OC(F)F ZINC000903100257 621573104 /nfs/dbraw/zinc/57/31/04/621573104.db2.gz LOIIIKPRIJZPTP-JTQLQIEISA-N 1 1 298.333 3.497 20 30 CGEDMO COc1ccc([C@H]([NH2+]CC2(C#N)CC2)C2CC2)c(F)c1 ZINC000903105928 621578497 /nfs/dbraw/zinc/57/84/97/621578497.db2.gz IWIHJUNOHHVYIL-OAHLLOKOSA-N 1 1 274.339 3.179 20 30 CGEDMO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CC1(C#N)CC1 ZINC000903106382 621579395 /nfs/dbraw/zinc/57/93/95/621579395.db2.gz OSZBHVYVQSOIOR-LLVKDONJSA-N 1 1 298.415 3.468 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1ccccc1N(C)C ZINC000903109002 621582649 /nfs/dbraw/zinc/58/26/49/621582649.db2.gz KAXKGWNLQIGDAL-CQSZACIVSA-N 1 1 271.408 3.487 20 30 CGEDMO C[C@@H]([NH2+]Cc1cc(N(C)C)ccn1)c1ccc(C#N)c(F)c1 ZINC000903198366 621623281 /nfs/dbraw/zinc/62/32/81/621623281.db2.gz JSIJKXFRJBYXMH-GFCCVEGCSA-N 1 1 298.365 3.009 20 30 CGEDMO C[C@@H]1C[C@@H](Nc2ccc(CCC#N)cc2)C[N@H+]1C1CC1 ZINC000903297655 621665348 /nfs/dbraw/zinc/66/53/48/621665348.db2.gz ILJMLSSLBILIAJ-CZUORRHYSA-N 1 1 269.392 3.180 20 30 CGEDMO CC(C)(C)[C@@]1(CN)CC[N@H+](CC2CCC(C#N)CC2)C1 ZINC000903476240 621764037 /nfs/dbraw/zinc/76/40/37/621764037.db2.gz RJZKBFWHYLWINP-VMBOVVBDSA-N 1 1 277.456 3.013 20 30 CGEDMO CC(C)(C)[C@@]1(CN)CC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000903476240 621764040 /nfs/dbraw/zinc/76/40/40/621764040.db2.gz RJZKBFWHYLWINP-VMBOVVBDSA-N 1 1 277.456 3.013 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(COCc2ccccc2)no1 ZINC000904588696 621937582 /nfs/dbraw/zinc/93/75/82/621937582.db2.gz VGFBUDMTFPVTAI-AWEZNQCLSA-N 1 1 287.363 3.143 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc([C@@H]2CCOc3ccccc32)no1 ZINC000904601481 621942887 /nfs/dbraw/zinc/94/28/87/621942887.db2.gz DRWVORNBIOURKM-ZIAGYGMSSA-N 1 1 299.374 3.340 20 30 CGEDMO C=C(C)c1ncc(-c2ccc(C[NH+]3CCOCC3)cc2)cn1 ZINC000906171385 622166771 /nfs/dbraw/zinc/16/67/71/622166771.db2.gz VALQCFQPVLWLRV-UHFFFAOYSA-N 1 1 295.386 3.009 20 30 CGEDMO C=CC[C@@H]1[N@H+](Cc2cn(C3CC3)nn2)CCCC1(C)C ZINC000906299603 622214670 /nfs/dbraw/zinc/21/46/70/622214670.db2.gz QJMHKYSLBLCZFZ-HNNXBMFYSA-N 1 1 274.412 3.180 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)CCc1ccc([N+](=O)[O-])cc1 ZINC000043419640 622284081 /nfs/dbraw/zinc/28/40/81/622284081.db2.gz HCEDPYBJYGISMM-UHFFFAOYSA-N 1 1 275.352 3.009 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@H](OCC)C2)cc1 ZINC000155459771 622357681 /nfs/dbraw/zinc/35/76/81/622357681.db2.gz HLHFEXBEBXOLDA-SFHVURJKSA-N 1 1 287.403 3.090 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000769963574 625580630 /nfs/dbraw/zinc/58/06/30/625580630.db2.gz WSWFSYVLIMECRH-JTQLQIEISA-N 1 1 257.255 3.039 20 30 CGEDMO COc1cc(C)cc(C[N@@H+](C)Cc2cccc(C#N)c2)c1O ZINC000163968992 622810783 /nfs/dbraw/zinc/81/07/83/622810783.db2.gz KOSOTEIALJTXBU-UHFFFAOYSA-N 1 1 296.370 3.213 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@@H+](C)CCC2CC2)c1O ZINC000164539790 622837913 /nfs/dbraw/zinc/83/79/13/622837913.db2.gz ZSSMOSHPYIGHSX-UHFFFAOYSA-N 1 1 275.392 3.361 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)C[C@H]1CCC2(CCCC2)O1 ZINC000229315798 623123360 /nfs/dbraw/zinc/12/33/60/623123360.db2.gz LNWCNBJLHZZASV-OAHLLOKOSA-N 1 1 264.413 3.350 20 30 CGEDMO C#CC[N@H+](CCCOC(C)C)Cc1ccc(F)cc1 ZINC000171500409 623168247 /nfs/dbraw/zinc/16/82/47/623168247.db2.gz IXCVGALQZFBBLE-UHFFFAOYSA-N 1 1 263.356 3.076 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3CCC)CCC[C@H]12 ZINC000992186564 623466122 /nfs/dbraw/zinc/46/61/22/623466122.db2.gz IBMWGADZXFYKIA-XLMAVXFVSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3CCC)CCC[C@@H]12 ZINC000992196887 623471030 /nfs/dbraw/zinc/47/10/30/623471030.db2.gz ZYQPZPDILCYJJM-YFHUEUNASA-N 1 1 290.451 3.112 20 30 CGEDMO COC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000929636794 623491070 /nfs/dbraw/zinc/49/10/70/623491070.db2.gz ZRGOVCWNXOEOHT-GFCCVEGCSA-N 1 1 278.783 3.070 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@H](C)C3CCCC3)CCC[C@H]12 ZINC000992409784 623543125 /nfs/dbraw/zinc/54/31/25/623543125.db2.gz ULGNERYXQVMXAK-UWWQBHOKSA-N 1 1 290.451 3.112 20 30 CGEDMO C[C@H]1CC(N=Nc2ccccc2Cl)C[N@H+]1C1CC1 ZINC000753954456 623739944 /nfs/dbraw/zinc/73/99/44/623739944.db2.gz BQPNOBAANULAAW-JTQLQIEISA-N 1 1 263.772 3.365 20 30 CGEDMO COc1cccc(O)c1/C=N/C[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000915271153 623936000 /nfs/dbraw/zinc/93/60/00/623936000.db2.gz LURRVXRAFZSKKK-LNFQUTBISA-N 1 1 290.407 3.083 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C(C)=C2CCC2)[C@@H]1C ZINC000993312492 624010586 /nfs/dbraw/zinc/01/05/86/624010586.db2.gz NGDSFAXJZHXNCS-HOCLYGCPSA-N 1 1 276.424 3.032 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C(C)C)[C@@H]1C ZINC000993408824 624043011 /nfs/dbraw/zinc/04/30/11/624043011.db2.gz FESQIJXXUWTLQL-MAUKXSAKSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C2CCC2)[C@@H]1C ZINC000993619662 624055592 /nfs/dbraw/zinc/05/55/92/624055592.db2.gz BUXCYLKFMDMAHD-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C2(C3CCC3)CCC2)[C@@H]1C ZINC000993636846 624055601 /nfs/dbraw/zinc/05/56/01/624055601.db2.gz QNKXFWCVPMZGFZ-HOCLYGCPSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C2CCC2)[C@H]1C ZINC000993634643 624055667 /nfs/dbraw/zinc/05/56/67/624055667.db2.gz MLDBZCHMRPLEML-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C2(C3CCC3)CCC2)[C@H]1C ZINC000993636848 624055737 /nfs/dbraw/zinc/05/57/37/624055737.db2.gz QNKXFWCVPMZGFZ-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CCCC)[C@H]2C)cc1 ZINC000993673713 624056883 /nfs/dbraw/zinc/05/68/83/624056883.db2.gz RJYUMHZSXZSMDF-YJBOKZPZSA-N 1 1 298.430 3.051 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C2(C3CC3)CCC2)[C@@H]1C ZINC000993674546 624057029 /nfs/dbraw/zinc/05/70/29/624057029.db2.gz ZCRPVKODABYQFV-GOEBONIOSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C2(C)CCCCC2)[C@@H]1C ZINC000993742449 624060607 /nfs/dbraw/zinc/06/06/07/624060607.db2.gz MXNCUQLVMZMPCS-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2csc(C)c2)[C@@H]1C ZINC000993996163 624067393 /nfs/dbraw/zinc/06/73/93/624067393.db2.gz QQTGKYWYRGHGFJ-DZGCQCFKSA-N 1 1 292.448 3.215 20 30 CGEDMO C[NH+]1CCN(N=C(CC(C)(C)C)c2ccccc2)CC1 ZINC000915934178 624081249 /nfs/dbraw/zinc/08/12/49/624081249.db2.gz UHNDOXDPGNDPIZ-UHFFFAOYSA-N 1 1 273.424 3.074 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCCC(C)(C)C2)C1 ZINC001015994301 625701769 /nfs/dbraw/zinc/70/17/69/625701769.db2.gz FKIIZPWPFDPQPV-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC)cc2)[C@H]1C ZINC000994349843 624205192 /nfs/dbraw/zinc/20/51/92/624205192.db2.gz KDCSJRGURSUJSV-RHSMWYFYSA-N 1 1 286.419 3.018 20 30 CGEDMO C=CC[N@H+](CCC(=O)Nc1cccc(F)c1)C(C)C ZINC000917069207 624232877 /nfs/dbraw/zinc/23/28/77/624232877.db2.gz KOJWEQPKPWACEA-UHFFFAOYSA-N 1 1 264.344 3.051 20 30 CGEDMO C=CC[N@H+](CC(=O)N[C@H](C)c1ccc(CC)cc1)C(C)C ZINC000917071561 624234032 /nfs/dbraw/zinc/23/40/32/624234032.db2.gz WBKLMDHORARZDZ-OAHLLOKOSA-N 1 1 288.435 3.323 20 30 CGEDMO C=CC[N@@H+](CC(=O)N1CCC[C@H]2CCCC[C@H]21)C(C)C ZINC000917071725 624234208 /nfs/dbraw/zinc/23/42/08/624234208.db2.gz YKZZOMZGLVBIRQ-HZPDHXFCSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1ccc(OC)c(Cl)c1)C(C)C ZINC000917166802 624248635 /nfs/dbraw/zinc/24/86/35/624248635.db2.gz HYDCTKNXBWXCSI-UHFFFAOYSA-N 1 1 296.798 3.184 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1ccc(OC)c(Cl)c1)C(C)C ZINC000917166802 624248638 /nfs/dbraw/zinc/24/86/38/624248638.db2.gz HYDCTKNXBWXCSI-UHFFFAOYSA-N 1 1 296.798 3.184 20 30 CGEDMO C=CC[N@H+](Cn1c2ccc(Cl)cc2oc1=O)C(C)C ZINC000917481716 624273566 /nfs/dbraw/zinc/27/35/66/624273566.db2.gz WREANVINFCJITN-UHFFFAOYSA-N 1 1 280.755 3.102 20 30 CGEDMO C=CC[N@@H+](Cn1c2ccc(Cl)cc2oc1=O)C(C)C ZINC000917481716 624273569 /nfs/dbraw/zinc/27/35/69/624273569.db2.gz WREANVINFCJITN-UHFFFAOYSA-N 1 1 280.755 3.102 20 30 CGEDMO COc1cccc(C[N@H+](C[C@@H](C)C#N)C2CC2)c1C ZINC000930086852 624413452 /nfs/dbraw/zinc/41/34/52/624413452.db2.gz JVKQYQFYXFZSJG-LBPRGKRZSA-N 1 1 258.365 3.128 20 30 CGEDMO COc1cccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)c1C ZINC000930086852 624413453 /nfs/dbraw/zinc/41/34/53/624413453.db2.gz JVKQYQFYXFZSJG-LBPRGKRZSA-N 1 1 258.365 3.128 20 30 CGEDMO N#Cc1cccc(SCCC[NH+]2CCOCC2)c1Cl ZINC000920281828 624466740 /nfs/dbraw/zinc/46/67/40/624466740.db2.gz HVVGCGNEMLQSMG-UHFFFAOYSA-N 1 1 296.823 3.026 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)C2CCCC2)cc1 ZINC000179797475 624685502 /nfs/dbraw/zinc/68/55/02/624685502.db2.gz ABLYFUMLGFKPGL-CYBMUJFWSA-N 1 1 258.365 3.352 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)C2CCC2)CC1 ZINC000997904104 625765066 /nfs/dbraw/zinc/76/50/66/625765066.db2.gz ZODIPONLZLWGHW-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C#Cc1ccc(C(=O)N(CC)[C@H]2CCC[N@@H+](CC)CC2)cc1 ZINC000998079827 625786804 /nfs/dbraw/zinc/78/68/04/625786804.db2.gz KLZAJKBJPQJVKU-SFHVURJKSA-N 1 1 298.430 3.004 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[C@@H]2C)CC1 ZINC000998102360 625788641 /nfs/dbraw/zinc/78/86/41/625788641.db2.gz NBKDNFFYHIEWGL-BBWFWOEESA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Br)C[NH2+]Cc1cn(C)nc1C1CCCC1 ZINC000921692186 625844546 /nfs/dbraw/zinc/84/45/46/625844546.db2.gz PWVFXXMRGZZJCS-UHFFFAOYSA-N 1 1 298.228 3.076 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC(C)=C(C)C2)CC1 ZINC001000732112 625880021 /nfs/dbraw/zinc/88/00/21/625880021.db2.gz XYPDTRANLDMGFL-QGZVFWFLSA-N 1 1 288.435 3.057 20 30 CGEDMO C[N@H+]1Cc2ccc(NCc3csc(C#N)c3)cc2C1 ZINC000921879828 625922762 /nfs/dbraw/zinc/92/27/62/625922762.db2.gz XUWYXSGRKJUCDI-UHFFFAOYSA-N 1 1 269.373 3.177 20 30 CGEDMO Cc1ccc(NCc2csc(C#N)c2)c(N(C)C)[nH+]1 ZINC000921929624 625934059 /nfs/dbraw/zinc/93/40/59/625934059.db2.gz JZUXIXPPOXBUQT-UHFFFAOYSA-N 1 1 272.377 3.001 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cncc(C#N)c2)[C@H]2CCCC[C@H]12 ZINC000929259534 625955386 /nfs/dbraw/zinc/95/53/86/625955386.db2.gz GAAMXJDOVGLWTO-XYPHTWIQSA-N 1 1 269.392 3.354 20 30 CGEDMO C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1csc(C#N)c1 ZINC000922133117 625971701 /nfs/dbraw/zinc/97/17/01/625971701.db2.gz AYEYFEBBAJDNOW-ZUZCIYMTSA-N 1 1 270.357 3.232 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@]2(C)CCC(C)=C(C)C2)C1 ZINC001016370971 625975545 /nfs/dbraw/zinc/97/55/45/625975545.db2.gz GKJSHUZAMHOPHA-WMZOPIPTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2CCCC2(C)C)CC1 ZINC001003452635 625980077 /nfs/dbraw/zinc/98/00/77/625980077.db2.gz ITYUQKHCFXFAEW-AWEZNQCLSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H](C)C2)CC1 ZINC001003524453 625982591 /nfs/dbraw/zinc/98/25/91/625982591.db2.gz CCRMYAZHCBCLHX-GXTWGEPZSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCC)CC1 ZINC001004332599 626039336 /nfs/dbraw/zinc/03/93/36/626039336.db2.gz IKOSIHYKDGNMLI-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)C(C)=C2CCC2)CC1 ZINC001005369633 626090215 /nfs/dbraw/zinc/09/02/15/626090215.db2.gz PDMQMBRGUPIUOG-UHFFFAOYSA-N 1 1 296.842 3.162 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)C(C)(C)C2CC2)CC1 ZINC001005853942 626116547 /nfs/dbraw/zinc/11/65/47/626116547.db2.gz SDANRAGCNFQXSE-UHFFFAOYSA-N 1 1 298.858 3.098 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@H]1COC(=O)c1ccsc1C#N ZINC000923566302 626164108 /nfs/dbraw/zinc/16/41/08/626164108.db2.gz KCNDDMBTAFDVTN-LBPRGKRZSA-N 1 1 292.404 3.039 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H](O)C1CC1 ZINC000838783331 626253454 /nfs/dbraw/zinc/25/34/54/626253454.db2.gz GJAHOKALJYWXAI-GFCCVEGCSA-N 1 1 271.813 3.160 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC1N=Nc1ccc(F)cn1 ZINC000751529025 626394506 /nfs/dbraw/zinc/39/45/06/626394506.db2.gz NYKRSEVMVDOXGL-ZDUSSCGKSA-N 1 1 298.365 3.141 20 30 CGEDMO C[C@@H]1CCCCC1=[NH+]n1cc(Br)cn1 ZINC000752742579 626437208 /nfs/dbraw/zinc/43/72/08/626437208.db2.gz HUFVKOROPVORMY-MRVPVSSYSA-N 1 1 256.147 3.060 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000752856235 626440732 /nfs/dbraw/zinc/44/07/32/626440732.db2.gz OZAYIXLBGGWYQE-SJORKVTESA-N 1 1 259.393 3.193 20 30 CGEDMO C[C@H]1CC(N=Nc2ccc(Cl)cc2)C[N@H+]1C1CC1 ZINC000753965757 626470422 /nfs/dbraw/zinc/47/04/22/626470422.db2.gz HDKLRBCZWXOHTK-JTQLQIEISA-N 1 1 263.772 3.365 20 30 CGEDMO CCCCCCCCC(=O)N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000754195218 626563235 /nfs/dbraw/zinc/56/32/35/626563235.db2.gz LFTFBFKTHOZGNV-HNNXBMFYSA-N 1 1 268.445 3.290 20 30 CGEDMO CC(C)[N@@H+]1CC(N=Nc2ccc(OC(F)F)cc2)[C@@H](C)C1 ZINC000754258386 626565307 /nfs/dbraw/zinc/56/53/07/626565307.db2.gz HSIYLTPGJCTXDQ-NSHDSACASA-N 1 1 297.349 3.416 20 30 CGEDMO CCCCCCCCNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000755077142 626599733 /nfs/dbraw/zinc/59/97/33/626599733.db2.gz GMCQQJUTFCECJS-MRXNPFEDSA-N 1 1 297.487 3.330 20 30 CGEDMO Cc1ccccc1OCC[N@H+](CCC#N)CC(C)C ZINC000755670734 626636104 /nfs/dbraw/zinc/63/61/04/626636104.db2.gz RSQGAHRSPDUULZ-UHFFFAOYSA-N 1 1 260.381 3.246 20 30 CGEDMO Cc1ccccc1OCC[N@@H+](CCC#N)CC(C)C ZINC000755670734 626636106 /nfs/dbraw/zinc/63/61/06/626636106.db2.gz RSQGAHRSPDUULZ-UHFFFAOYSA-N 1 1 260.381 3.246 20 30 CGEDMO C[C@@H]1C[N@H+](C2CC2)CC1N=Nc1nccc2sccc21 ZINC000755890591 626657187 /nfs/dbraw/zinc/65/71/87/626657187.db2.gz NHHKZLTUYSSSCE-SNVBAGLBSA-N 1 1 286.404 3.178 20 30 CGEDMO C#CC[C@@H]([NH2+][C@H](CC)c1ccn(C)n1)c1ccccc1 ZINC000756774431 626731477 /nfs/dbraw/zinc/73/14/77/626731477.db2.gz CVAHFRIHSRRMLN-HZPDHXFCSA-N 1 1 267.376 3.225 20 30 CGEDMO CCCCCCCC[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000756896552 626739794 /nfs/dbraw/zinc/73/97/94/626739794.db2.gz LCBDEOIFBFHCBG-JKSUJKDBSA-N 1 1 269.429 3.227 20 30 CGEDMO C=CCC[N@H+](C)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000839576597 626762843 /nfs/dbraw/zinc/76/28/43/626762843.db2.gz OWQFXGFNQTTXNH-AWEZNQCLSA-N 1 1 282.428 3.141 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000760808168 626993309 /nfs/dbraw/zinc/99/33/09/626993309.db2.gz QNMMBAZUBZSCBQ-AWEZNQCLSA-N 1 1 263.768 3.207 20 30 CGEDMO C#CCC[N@H+](C)[C@@H](C)c1ccccc1Br ZINC000760819408 626994456 /nfs/dbraw/zinc/99/44/56/626994456.db2.gz LFZVQNOQSQOBIW-NSHDSACASA-N 1 1 266.182 3.465 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1cc(C)cc(Br)c1O ZINC000762794472 627124388 /nfs/dbraw/zinc/12/43/88/627124388.db2.gz MAFYQLNFHRFKSD-LLVKDONJSA-N 1 1 297.196 3.245 20 30 CGEDMO C#CC[N@H+](CCc1c(F)cccc1Cl)C1CC1 ZINC000763955145 627187836 /nfs/dbraw/zinc/18/78/36/627187836.db2.gz IANDORXHWKOROL-UHFFFAOYSA-N 1 1 251.732 3.119 20 30 CGEDMO CC#CCC[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC000764980961 627235323 /nfs/dbraw/zinc/23/53/23/627235323.db2.gz UZLQBWNYDDZYJS-LSDHHAIUSA-N 1 1 294.439 3.025 20 30 CGEDMO FC(F)(F)c1ccc(N=NC2CC[N@H+]3CCC[C@H]23)cc1 ZINC000765582964 627260846 /nfs/dbraw/zinc/26/08/46/627260846.db2.gz CUVANTIDXZMYDQ-CYBMUJFWSA-N 1 1 283.297 3.341 20 30 CGEDMO C=C(Cl)C[N@H+](CCC)C[C@@H]1COc2ccccc2O1 ZINC000765908389 627278219 /nfs/dbraw/zinc/27/82/19/627278219.db2.gz MMXSQXDCVLMWSX-CYBMUJFWSA-N 1 1 281.783 3.291 20 30 CGEDMO C=C(Cl)C[N@@H+](CCC)C[C@@H]1COc2ccccc2O1 ZINC000765908389 627278223 /nfs/dbraw/zinc/27/82/23/627278223.db2.gz MMXSQXDCVLMWSX-CYBMUJFWSA-N 1 1 281.783 3.291 20 30 CGEDMO C#CCOc1ccc([C@@H](C)NCC[N@@H+](C)CCCC)cc1 ZINC000765943036 627280093 /nfs/dbraw/zinc/28/00/93/627280093.db2.gz ATYPTROHNFJGKT-MRXNPFEDSA-N 1 1 288.435 3.081 20 30 CGEDMO C#CCOc1ccc([C@@H](C)NCC[N@H+](C)CCCC)cc1 ZINC000765943036 627280094 /nfs/dbraw/zinc/28/00/94/627280094.db2.gz ATYPTROHNFJGKT-MRXNPFEDSA-N 1 1 288.435 3.081 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+]1CCc2c(C)cccc2C1 ZINC000766896834 627368174 /nfs/dbraw/zinc/36/81/74/627368174.db2.gz XAZMVHUQJWNWKK-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCc2c(C)cccc2C1 ZINC000766896834 627368177 /nfs/dbraw/zinc/36/81/77/627368177.db2.gz XAZMVHUQJWNWKK-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO C#CCCC[N@@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000766903648 627369146 /nfs/dbraw/zinc/36/91/46/627369146.db2.gz UODXRHBCIMUDTE-OAHLLOKOSA-N 1 1 297.320 3.492 20 30 CGEDMO C#CCCC[N@H+]1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000766903648 627369147 /nfs/dbraw/zinc/36/91/47/627369147.db2.gz UODXRHBCIMUDTE-OAHLLOKOSA-N 1 1 297.320 3.492 20 30 CGEDMO C#CCCC[N@H+]1CCc2sc(Br)cc2C1 ZINC000766922521 627371130 /nfs/dbraw/zinc/37/11/30/627371130.db2.gz IRLOJPIFEKQVQD-UHFFFAOYSA-N 1 1 284.222 3.282 20 30 CGEDMO C#CCCC[N@@H+]1CCc2sc(Br)cc2C1 ZINC000766922521 627371134 /nfs/dbraw/zinc/37/11/34/627371134.db2.gz IRLOJPIFEKQVQD-UHFFFAOYSA-N 1 1 284.222 3.282 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc(N(C)C)cc1 ZINC000768153803 627463537 /nfs/dbraw/zinc/46/35/37/627463537.db2.gz KETLOVURNPZDDZ-UHFFFAOYSA-N 1 1 259.397 3.124 20 30 CGEDMO CCOc1ccc(C[N@H+](CCC#N)CC(C)C)cc1OC ZINC000768153827 627464419 /nfs/dbraw/zinc/46/44/19/627464419.db2.gz LRCSWQVSPRVLOD-UHFFFAOYSA-N 1 1 290.407 3.466 20 30 CGEDMO CCOc1ccc(C[N@@H+](CCC#N)CC(C)C)cc1OC ZINC000768153827 627464423 /nfs/dbraw/zinc/46/44/23/627464423.db2.gz LRCSWQVSPRVLOD-UHFFFAOYSA-N 1 1 290.407 3.466 20 30 CGEDMO C#CC[N@H+](Cc1cc(C)ccc1O)C1CCCCC1 ZINC000769146435 627526141 /nfs/dbraw/zinc/52/61/41/627526141.db2.gz YQIIJDXJOKYANZ-UHFFFAOYSA-N 1 1 257.377 3.469 20 30 CGEDMO CCCCCCCC(=O)N[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000769663009 627571989 /nfs/dbraw/zinc/57/19/89/627571989.db2.gz SDTYPNFQTVNZKD-OAHLLOKOSA-N 1 1 268.445 3.336 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1cc(F)cc(Br)c1 ZINC000769962149 627593174 /nfs/dbraw/zinc/59/31/74/627593174.db2.gz YNJHEPVCZNIKFF-VIFPVBQESA-N 1 1 270.145 3.042 20 30 CGEDMO C=CC[C@@H]1[N@H+](CCC2OCCCO2)CCCC1(C)C ZINC000769954598 627592024 /nfs/dbraw/zinc/59/20/24/627592024.db2.gz VHZARNWNMKABHR-AWEZNQCLSA-N 1 1 267.413 3.206 20 30 CGEDMO C=CC[C@@H]1[N@H+](CC[C@H]2CCOC2=O)CCCC1(C)C ZINC000769954478 627592121 /nfs/dbraw/zinc/59/21/21/627592121.db2.gz TWNBKBGSPDKRPB-KBPBESRZSA-N 1 1 265.397 3.006 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1cc(Br)ccc1F ZINC000769961032 627592801 /nfs/dbraw/zinc/59/28/01/627592801.db2.gz MKABYLQSSQXWNJ-SECBINFHSA-N 1 1 270.145 3.042 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(Br)ccc1F ZINC000769961032 627592805 /nfs/dbraw/zinc/59/28/05/627592805.db2.gz MKABYLQSSQXWNJ-SECBINFHSA-N 1 1 270.145 3.042 20 30 CGEDMO CCCCCCCCCC[N@@H+]1CCn2ncnc2C1 ZINC000770699889 627638551 /nfs/dbraw/zinc/63/85/51/627638551.db2.gz JCOYSWOWKFAUNM-UHFFFAOYSA-N 1 1 264.417 3.234 20 30 CGEDMO CCCCCCCCCC[N@H+]1CCn2ncnc2C1 ZINC000770699889 627638555 /nfs/dbraw/zinc/63/85/55/627638555.db2.gz JCOYSWOWKFAUNM-UHFFFAOYSA-N 1 1 264.417 3.234 20 30 CGEDMO Cc1cn2cc(Nc3snc(Cl)c3C#N)ccc2[nH+]1 ZINC000771219285 627691465 /nfs/dbraw/zinc/69/14/65/627691465.db2.gz RACMLULMWMAOGC-UHFFFAOYSA-N 1 1 289.751 3.368 20 30 CGEDMO C=C(CC)C[N@H+](C)Cc1ccn(-c2ccccc2)n1 ZINC000773422568 627882281 /nfs/dbraw/zinc/88/22/81/627882281.db2.gz WCHZCPCYZJPHSP-UHFFFAOYSA-N 1 1 255.365 3.270 20 30 CGEDMO C=C(CC)C[N@@H+](C)Cc1ccn(-c2ccccc2)n1 ZINC000773422568 627882282 /nfs/dbraw/zinc/88/22/82/627882282.db2.gz WCHZCPCYZJPHSP-UHFFFAOYSA-N 1 1 255.365 3.270 20 30 CGEDMO C#CC[N@@H+](C[C@@H]1CCC=CO1)[C@H]1CCc2ccccc21 ZINC000774816333 628034142 /nfs/dbraw/zinc/03/41/42/628034142.db2.gz ZNZSAZZIAXEZER-WMZOPIPTSA-N 1 1 267.372 3.302 20 30 CGEDMO C#CC[N@@H+](C[C@@H]1CCC=CO1)[C@@H]1CCc2ccccc21 ZINC000774816327 628034156 /nfs/dbraw/zinc/03/41/56/628034156.db2.gz ZNZSAZZIAXEZER-FUHWJXTLSA-N 1 1 267.372 3.302 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000775179313 628069479 /nfs/dbraw/zinc/06/94/79/628069479.db2.gz NBWXXWXZYUNLHZ-LBPRGKRZSA-N 1 1 285.366 3.082 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000775179313 628069483 /nfs/dbraw/zinc/06/94/83/628069483.db2.gz NBWXXWXZYUNLHZ-LBPRGKRZSA-N 1 1 285.366 3.082 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1ccc(-c2ccccc2F)o1)[C@H]1CCCO1 ZINC000775342421 628084845 /nfs/dbraw/zinc/08/48/45/628084845.db2.gz QZMLGQGYFNKCAC-SJLPKXTDSA-N 1 1 299.345 3.356 20 30 CGEDMO C=C(C)[C@H]([NH2+]CCN1CCCC1)c1ccc(F)c(F)c1 ZINC000775726061 628129494 /nfs/dbraw/zinc/12/94/94/628129494.db2.gz YRXACLSULVPVIM-INIZCTEOSA-N 1 1 280.362 3.267 20 30 CGEDMO C[C@@H]([NH2+]Cc1cccc(F)n1)c1ccc(C#N)c(F)c1 ZINC000776745379 628229489 /nfs/dbraw/zinc/22/94/89/628229489.db2.gz DXZJLDQHRXVMDB-SNVBAGLBSA-N 1 1 273.286 3.082 20 30 CGEDMO Cc1cc(C#N)ccc1CO[NH+]=C(N)CCC(C)C ZINC000776742595 628229556 /nfs/dbraw/zinc/22/95/56/628229556.db2.gz HRNDDXMXNLZUPJ-UHFFFAOYSA-N 1 1 259.353 3.301 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)c1O ZINC000777964720 628316032 /nfs/dbraw/zinc/31/60/32/628316032.db2.gz RXFVFUOSBFSVND-MLGOLLRUSA-N 1 1 293.382 3.309 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000778232404 628336031 /nfs/dbraw/zinc/33/60/31/628336031.db2.gz UYZLJKILUYAFOK-ZDUSSCGKSA-N 1 1 273.298 3.247 20 30 CGEDMO Cc1[nH+]ccn1CCCCOC(=O)c1ccc(C#N)cc1C ZINC000778828028 628374289 /nfs/dbraw/zinc/37/42/89/628374289.db2.gz UQDMYUHBIOJGHI-UHFFFAOYSA-N 1 1 297.358 3.009 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@@H+](C)CC(C)(C)OC ZINC000779164324 628392019 /nfs/dbraw/zinc/39/20/19/628392019.db2.gz OMTKYXPUPTZLPL-UHFFFAOYSA-N 1 1 295.810 3.209 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@H+](C)CC(C)(C)OC ZINC000779164324 628392021 /nfs/dbraw/zinc/39/20/21/628392021.db2.gz OMTKYXPUPTZLPL-UHFFFAOYSA-N 1 1 295.810 3.209 20 30 CGEDMO CCC(=NNc1cc[nH+]cc1)c1cc(Cl)ccc1OC ZINC000779809295 628433543 /nfs/dbraw/zinc/43/35/43/628433543.db2.gz NYBOIGTXFXVQLM-UHFFFAOYSA-N 1 1 289.766 3.392 20 30 CGEDMO Clc1ccc2c(c1)OCCCC2=NNc1cc[nH+]cc1 ZINC000779810670 628434039 /nfs/dbraw/zinc/43/40/39/628434039.db2.gz GLOVHKQGYFPCHE-UHFFFAOYSA-N 1 1 287.750 3.146 20 30 CGEDMO CC(=NNc1cc[nH+]cc1)c1ccc(Cl)s1 ZINC000779810626 628434054 /nfs/dbraw/zinc/43/40/54/628434054.db2.gz FQUYEUQIWGZBGB-UHFFFAOYSA-N 1 1 251.742 3.055 20 30 CGEDMO CC1(C)CCC(=[NH+]n2cc(Br)cn2)C1 ZINC000783856382 628751830 /nfs/dbraw/zinc/75/18/30/628751830.db2.gz APQIFNXAZRHVEU-UHFFFAOYSA-N 1 1 256.147 3.060 20 30 CGEDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000784012358 628765894 /nfs/dbraw/zinc/76/58/94/628765894.db2.gz IHESSFLTSANDON-INIZCTEOSA-N 1 1 258.365 3.135 20 30 CGEDMO C#CCCC[N@@H+]1C[C@H](C)C[C@H]1c1cccc(OC)c1 ZINC000784354020 628808735 /nfs/dbraw/zinc/80/87/35/628808735.db2.gz TVQQJSJWHXYNHT-PBHICJAKSA-N 1 1 257.377 3.492 20 30 CGEDMO C#CC[N@H+](C)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000805773541 628853455 /nfs/dbraw/zinc/85/34/55/628853455.db2.gz WNUPFBWVZFMXOD-NSHDSACASA-N 1 1 255.283 3.201 20 30 CGEDMO C#CC[N@H+](C)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000805773538 628853499 /nfs/dbraw/zinc/85/34/99/628853499.db2.gz WNUPFBWVZFMXOD-LLVKDONJSA-N 1 1 255.283 3.201 20 30 CGEDMO C[C@@H](C[N@H+](CCC#N)CC(C)(C)C)NC(=O)OC(C)(C)C ZINC000785457033 628863704 /nfs/dbraw/zinc/86/37/04/628863704.db2.gz CAEVJURNXZCBIU-ZDUSSCGKSA-N 1 1 297.443 3.161 20 30 CGEDMO C[C@@H](C[N@@H+](CCC#N)CC(C)(C)C)NC(=O)OC(C)(C)C ZINC000785457033 628863705 /nfs/dbraw/zinc/86/37/05/628863705.db2.gz CAEVJURNXZCBIU-ZDUSSCGKSA-N 1 1 297.443 3.161 20 30 CGEDMO C[C@@H](OC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccc(C#N)cc1 ZINC000785744939 628884192 /nfs/dbraw/zinc/88/41/92/628884192.db2.gz RFQXDAGFLGXZPL-HZSPNIEDSA-N 1 1 286.375 3.035 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)OCC[C@@H]1CCCC[N@H+]1C ZINC000785770871 628887491 /nfs/dbraw/zinc/88/74/91/628887491.db2.gz YSDLUWVQJXMUGX-ZFWWWQNUSA-N 1 1 253.386 3.006 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(=O)oc2cc(O)ccc12 ZINC000785998183 628906515 /nfs/dbraw/zinc/90/65/15/628906515.db2.gz YCCVPHIOUATIQO-ZDUSSCGKSA-N 1 1 285.343 3.039 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)NC1CCCCCCC1 ZINC000785996160 628906872 /nfs/dbraw/zinc/90/68/72/628906872.db2.gz BBLUQVUHKJKRER-INIZCTEOSA-N 1 1 278.440 3.256 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)NC1CCCCCCC1 ZINC000785996160 628906873 /nfs/dbraw/zinc/90/68/73/628906873.db2.gz BBLUQVUHKJKRER-INIZCTEOSA-N 1 1 278.440 3.256 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000785998306 628906916 /nfs/dbraw/zinc/90/69/16/628906916.db2.gz CNLSJTYOKSUBFS-ZDUSSCGKSA-N 1 1 264.300 3.274 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000785998306 628906917 /nfs/dbraw/zinc/90/69/17/628906917.db2.gz CNLSJTYOKSUBFS-ZDUSSCGKSA-N 1 1 264.300 3.274 20 30 CGEDMO C#CC[N@@H+](C[C@H]1CCSC1)[C@H]1CCc2ccccc21 ZINC000787042634 628980184 /nfs/dbraw/zinc/98/01/84/628980184.db2.gz RFEORLJBPDLUKZ-PBHICJAKSA-N 1 1 271.429 3.362 20 30 CGEDMO C#CC[N@H+](CCC(C)(C)OC)[C@@H]1CCc2ccccc21 ZINC000787186624 629000362 /nfs/dbraw/zinc/00/03/62/629000362.db2.gz MHPSGUPVPZNPDU-QGZVFWFLSA-N 1 1 271.404 3.424 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(OC)ccc1OCOC ZINC000787311950 629008704 /nfs/dbraw/zinc/00/87/04/629008704.db2.gz YSJKBNIAFJJCRG-OAHLLOKOSA-N 1 1 291.391 3.218 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCSC(C)(C)CC2)cc1 ZINC000789763428 629166817 /nfs/dbraw/zinc/16/68/17/629166817.db2.gz JKCBTTCOAKIIKV-UHFFFAOYSA-N 1 1 289.444 3.416 20 30 CGEDMO C#CCN(C(=O)CC[N@H+](C)C1CCCCC1)C1CCCC1 ZINC000791133370 629257584 /nfs/dbraw/zinc/25/75/84/629257584.db2.gz SCWGGOGBNKBSCV-UHFFFAOYSA-N 1 1 290.451 3.045 20 30 CGEDMO C#CC[N@@H+](C)CCOC(c1ccccc1)c1ccccc1 ZINC000792302235 629355099 /nfs/dbraw/zinc/35/50/99/629355099.db2.gz TUHNHAXWNMOLNC-UHFFFAOYSA-N 1 1 279.383 3.358 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(OC)c(COCC)c2)C1 ZINC000862442763 629375135 /nfs/dbraw/zinc/37/51/35/629375135.db2.gz HKQPSWIYXQAVEA-HNNXBMFYSA-N 1 1 287.403 3.077 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc3nc(C)ccc3c2)C1 ZINC000862445075 629377805 /nfs/dbraw/zinc/37/78/05/629377805.db2.gz LIUMPCPNDBVHJD-OAHLLOKOSA-N 1 1 264.372 3.388 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000862444695 629378321 /nfs/dbraw/zinc/37/83/21/629378321.db2.gz FMRGPXGBVPWSJY-CQSZACIVSA-N 1 1 250.345 3.080 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](C/C=C/c2ccccc2OC)C1 ZINC000862444492 629378678 /nfs/dbraw/zinc/37/86/78/629378678.db2.gz AVFWGOAURNRCQB-RZIFZGNASA-N 1 1 255.361 3.054 20 30 CGEDMO Cc1[nH+]c(C=NNCC2(C)CCCC2)c2ccccn12 ZINC000793082040 629408869 /nfs/dbraw/zinc/40/88/69/629408869.db2.gz UCABQVTWQRNNCN-UHFFFAOYSA-N 1 1 270.380 3.147 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)cc1 ZINC000793214578 629428556 /nfs/dbraw/zinc/42/85/56/629428556.db2.gz PCUODEMOCRSNER-KXBFYZLASA-N 1 1 299.414 3.088 20 30 CGEDMO C[N@H+]1CCC(N=Nc2nc(-c3ccccc3)no2)CC1(C)C ZINC000863088980 629469339 /nfs/dbraw/zinc/46/93/39/629469339.db2.gz VRIFOJLRBOOXHE-UHFFFAOYSA-N 1 1 299.378 3.009 20 30 CGEDMO CCCCCCC[N@H+]1CCCC[C@@H]1CCS(C)(=O)=O ZINC000794755774 629576016 /nfs/dbraw/zinc/57/60/16/629576016.db2.gz ZLTGWTLPPUZJMM-OAHLLOKOSA-N 1 1 289.485 3.246 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000795576742 629696692 /nfs/dbraw/zinc/69/66/92/629696692.db2.gz UAHZJFKJYQLRJT-ZDUSSCGKSA-N 1 1 251.782 3.140 20 30 CGEDMO C=C(Br)C[N@@H+](CC1CC1)CC1CCC1 ZINC000796576160 629801871 /nfs/dbraw/zinc/80/18/71/629801871.db2.gz VEMROFKBHYRQQD-UHFFFAOYSA-N 1 1 258.203 3.407 20 30 CGEDMO COc1cccc(O)c1/C=N\C[C@H]1c2ccccc2C[N@H+]1C ZINC000864349212 629817893 /nfs/dbraw/zinc/81/78/93/629817893.db2.gz USEXXAKJHJJXLO-WSLMLHKMSA-N 1 1 296.370 3.006 20 30 CGEDMO COc1cccc(O)c1/C=N\C[C@H]1c2ccccc2C[N@@H+]1C ZINC000864349212 629817899 /nfs/dbraw/zinc/81/78/99/629817899.db2.gz USEXXAKJHJJXLO-WSLMLHKMSA-N 1 1 296.370 3.006 20 30 CGEDMO C=C(Br)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000120119807 629867428 /nfs/dbraw/zinc/86/74/28/629867428.db2.gz GUHIKJWPBIICGL-CYBMUJFWSA-N 1 1 266.182 3.385 20 30 CGEDMO C=C(Br)C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000120119807 629867433 /nfs/dbraw/zinc/86/74/33/629867433.db2.gz GUHIKJWPBIICGL-CYBMUJFWSA-N 1 1 266.182 3.385 20 30 CGEDMO COCCc1cc[nH+]c(N[C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000797042413 629876661 /nfs/dbraw/zinc/87/66/61/629876661.db2.gz IOJKORHASPRDQX-GFCCVEGCSA-N 1 1 299.349 3.454 20 30 CGEDMO C[N@@H+](Cc1ccccc1)C1CCC(=NNCC(F)F)CC1 ZINC000797786968 629982427 /nfs/dbraw/zinc/98/24/27/629982427.db2.gz VGAKXXNJDWCAPE-UHFFFAOYSA-N 1 1 295.377 3.272 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000799191832 630155083 /nfs/dbraw/zinc/15/50/83/630155083.db2.gz TVYLCDXJGBTGHS-AWEZNQCLSA-N 1 1 257.381 3.201 20 30 CGEDMO C#CCCC[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000801590238 630345887 /nfs/dbraw/zinc/34/58/87/630345887.db2.gz IDBSNTQJQFNGIO-GFCCVEGCSA-N 1 1 259.315 3.454 20 30 CGEDMO CCCCCCC[N@H+]1[C@H]2C[C@@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000801601128 630347668 /nfs/dbraw/zinc/34/76/68/630347668.db2.gz YLUZMZCYSILGOH-UGUYLWEFSA-N 1 1 297.439 3.140 20 30 CGEDMO CCc1ccc(C[N@@H+](CCO[C@@H](C)C#N)C2CC2)cc1 ZINC000801914531 630364598 /nfs/dbraw/zinc/36/45/98/630364598.db2.gz KDGOOJRBLJIXMO-AWEZNQCLSA-N 1 1 272.392 3.142 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+](Cc1ccco1)Cc1ccccc1 ZINC000801912405 630365274 /nfs/dbraw/zinc/36/52/74/630365274.db2.gz PWHOYESBBJYWNU-HNNXBMFYSA-N 1 1 284.359 3.210 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+](Cc1ccc(F)cc1)C(C)(C)C ZINC000801929225 630368396 /nfs/dbraw/zinc/36/83/96/630368396.db2.gz QFPKADBVZGAUBY-ZDUSSCGKSA-N 1 1 278.371 3.355 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@H]1CCC1CCCC1 ZINC000801929181 630368675 /nfs/dbraw/zinc/36/86/75/630368675.db2.gz IFLXNGBCQRBJAT-HOCLYGCPSA-N 1 1 264.413 3.350 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](Cc1cccc(F)c1)C1CCCC1 ZINC000801930946 630369319 /nfs/dbraw/zinc/36/93/19/630369319.db2.gz JFIUHEJXEHJGCF-CQSZACIVSA-N 1 1 290.382 3.499 20 30 CGEDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)Nc1nc(Cl)c(C#N)s1 ZINC000804372580 630523774 /nfs/dbraw/zinc/52/37/74/630523774.db2.gz OXSAQMJODUGYQN-NXEZZACHSA-N 1 1 298.843 3.200 20 30 CGEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1nc(Cl)c(C#N)s1 ZINC000804442437 630527351 /nfs/dbraw/zinc/52/73/51/630527351.db2.gz BZYKZKRBFRJKEY-AOOOYVTPSA-N 1 1 298.843 3.343 20 30 CGEDMO C=CCCCCCCNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000807570744 630593256 /nfs/dbraw/zinc/59/32/56/630593256.db2.gz DPEZBFLYHNCARC-MRXNPFEDSA-N 1 1 295.471 3.106 20 30 CGEDMO C=CC[N@H+](CCC(=O)C(C)C)Cc1ccc(OC)cc1 ZINC000808711616 630669217 /nfs/dbraw/zinc/66/92/17/630669217.db2.gz MTYADCUKNHWCBI-UHFFFAOYSA-N 1 1 275.392 3.298 20 30 CGEDMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)CCO[C@H](C)C#N ZINC000808762141 630676529 /nfs/dbraw/zinc/67/65/29/630676529.db2.gz XGKHDHQUXABEMY-CZUORRHYSA-N 1 1 276.380 3.007 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000809578100 630753902 /nfs/dbraw/zinc/75/39/02/630753902.db2.gz IFRVJVBDPLCHBK-UHFFFAOYSA-N 1 1 292.338 3.134 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)cc1 ZINC000809578100 630753906 /nfs/dbraw/zinc/75/39/06/630753906.db2.gz IFRVJVBDPLCHBK-UHFFFAOYSA-N 1 1 292.338 3.134 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)cc1 ZINC000809632675 630769078 /nfs/dbraw/zinc/76/90/78/630769078.db2.gz VVCNFIJGJFHIIQ-HXUWFJFHSA-N 1 1 291.394 3.111 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)cc1 ZINC000809632675 630769083 /nfs/dbraw/zinc/76/90/83/630769083.db2.gz VVCNFIJGJFHIIQ-HXUWFJFHSA-N 1 1 291.394 3.111 20 30 CGEDMO C#C[C@H](C)[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000809683811 630779951 /nfs/dbraw/zinc/77/99/51/630779951.db2.gz PYPQUJWZCVLADD-QMMMGPOBSA-N 1 1 259.683 3.053 20 30 CGEDMO C#C[C@@H]([NH2+]CCSCC)c1ccc(Cl)cc1F ZINC000809700141 630785706 /nfs/dbraw/zinc/78/57/06/630785706.db2.gz YFGKTEKPOORHHR-CYBMUJFWSA-N 1 1 271.788 3.496 20 30 CGEDMO C#Cc1ccc(C[NH2+][C@@H](C)c2c(F)cncc2F)cc1 ZINC000809716818 630789856 /nfs/dbraw/zinc/78/98/56/630789856.db2.gz SVHAENOJTVQAEK-NSHDSACASA-N 1 1 272.298 3.192 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1cccc(OC)c1O ZINC000809716505 630790091 /nfs/dbraw/zinc/79/00/91/630790091.db2.gz PITDCENGSFYMHM-UHFFFAOYSA-N 1 1 281.355 3.036 20 30 CGEDMO C#C[C@H]([NH2+]Cc1nc2c(s1)CCCC2)C(C)(C)C ZINC000809780923 630805394 /nfs/dbraw/zinc/80/53/94/630805394.db2.gz ALSRIENYYXAULM-ZDUSSCGKSA-N 1 1 262.422 3.159 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)cc1 ZINC000811510573 631078126 /nfs/dbraw/zinc/07/81/26/631078126.db2.gz KHIPRXVZDBINNP-DLBZAZTESA-N 1 1 269.388 3.057 20 30 CGEDMO C[C@H]1CN(c2ccccc2C=[NH+]OC/C=C/Cl)CCO1 ZINC000811672168 631108938 /nfs/dbraw/zinc/10/89/38/631108938.db2.gz RXEUCQMKOYLXBT-NRIUFEHLSA-N 1 1 294.782 3.015 20 30 CGEDMO C=CCCC[N@H+](C)Cn1nc(C(F)(F)F)cc1C ZINC000811747734 631117110 /nfs/dbraw/zinc/11/71/10/631117110.db2.gz PUUVPWSHJZUYEH-UHFFFAOYSA-N 1 1 261.291 3.066 20 30 CGEDMO CN(C)c1ncc(C=[NH+]Nc2ccc(C(C)(C)C)cc2)cn1 ZINC000814900859 631671686 /nfs/dbraw/zinc/67/16/86/631671686.db2.gz LLPVUQBZXRCCFY-UHFFFAOYSA-N 1 1 297.406 3.286 20 30 CGEDMO CCC(=[NH+]OCCSC)c1ccc(Cl)c(N)c1 ZINC000814921970 631682547 /nfs/dbraw/zinc/68/25/47/631682547.db2.gz MWAWBNGVTZVMQT-UHFFFAOYSA-N 1 1 272.801 3.416 20 30 CGEDMO C#CC[N@H+](CC#CC)C/C(C)=C/c1ccccc1COC ZINC000816513430 631999853 /nfs/dbraw/zinc/99/98/53/631999853.db2.gz QFQIEHLIPJNMLZ-SAPNQHFASA-N 1 1 281.399 3.195 20 30 CGEDMO C#CC[N@@H+](CC#CC)C/C(C)=C/c1ccccc1COC ZINC000816513430 631999858 /nfs/dbraw/zinc/99/98/58/631999858.db2.gz QFQIEHLIPJNMLZ-SAPNQHFASA-N 1 1 281.399 3.195 20 30 CGEDMO C#CC[N@H+](C/C(C)=C/c1ccccc1COC)C1CC1 ZINC000816570046 632016104 /nfs/dbraw/zinc/01/61/04/632016104.db2.gz GFVHFXGANOUBOK-NTCAYCPXSA-N 1 1 269.388 3.334 20 30 CGEDMO Nc1ccc2c(c1)C(=[NH+]NCCC(F)(F)F)CCCC2 ZINC000817327868 632122521 /nfs/dbraw/zinc/12/25/21/632122521.db2.gz SAPWZGHWPQRXHL-UHFFFAOYSA-N 1 1 285.313 3.241 20 30 CGEDMO C=C(Cl)COc1ccc([C@H](C)NCCC[NH2+]C)cc1 ZINC000817941357 632240878 /nfs/dbraw/zinc/24/08/78/632240878.db2.gz UANBUBKHRHGMQB-ZDUSSCGKSA-N 1 1 282.815 3.078 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H]1CCCOc2c(OC)cccc21 ZINC000866298682 633069597 /nfs/dbraw/zinc/06/95/97/633069597.db2.gz CNEWCIIFUUIRDM-GFCCVEGCSA-N 1 1 267.756 3.251 20 30 CGEDMO C=CC[N@@H+](C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2)C(C)C ZINC000823408619 633100338 /nfs/dbraw/zinc/10/03/38/633100338.db2.gz NYWUXRVSDFPUJO-YOEHRIQHSA-N 1 1 294.439 3.140 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(F)cc1)C[C@@](C)(O)c1ccccc1 ZINC000823599718 633125661 /nfs/dbraw/zinc/12/56/61/633125661.db2.gz VSDIMXIMRPTUOM-LJQANCHMSA-N 1 1 297.373 3.017 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)c1ccccc1 ZINC000823619136 633128141 /nfs/dbraw/zinc/12/81/41/633128141.db2.gz YBPBPSYSJGXNTI-KDOFPFPSSA-N 1 1 280.371 3.285 20 30 CGEDMO C=CCCN(C)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000869100652 633402552 /nfs/dbraw/zinc/40/25/52/633402552.db2.gz FPFDDFXHBRIANI-INIZCTEOSA-N 1 1 293.455 3.001 20 30 CGEDMO N#CCC1C[NH+](Cc2ccccc2N2CCCCC2)C1 ZINC000826990243 633447146 /nfs/dbraw/zinc/44/71/46/633447146.db2.gz CGLBOOZTNINAHP-UHFFFAOYSA-N 1 1 269.392 3.022 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000827078900 633454925 /nfs/dbraw/zinc/45/49/25/633454925.db2.gz SOGYSDYFCCLUBO-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C#CC[N@H+](CCCC(=O)CC)[C@@H]1CCc2ccccc21 ZINC000827484516 633494138 /nfs/dbraw/zinc/49/41/38/633494138.db2.gz ZCOHADCCWRHBMZ-GOSISDBHSA-N 1 1 269.388 3.368 20 30 CGEDMO C#CC[N@H+](CCc1ccncc1C)C1CCCCC1 ZINC000827814501 633521131 /nfs/dbraw/zinc/52/11/31/633521131.db2.gz GMGOUWSEKDNUSZ-UHFFFAOYSA-N 1 1 256.393 3.200 20 30 CGEDMO C#CCC[N@H+](CCOC)C/C(C)=C/c1ccccc1 ZINC000827822714 633522913 /nfs/dbraw/zinc/52/29/13/633522913.db2.gz CXKZYJBPUUZUNO-JQIJEIRASA-N 1 1 257.377 3.062 20 30 CGEDMO C=CCCCC[N@H+]1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000828032459 633551232 /nfs/dbraw/zinc/55/12/32/633551232.db2.gz WCVZBUPSYIZTGU-HUUCEWRRSA-N 1 1 295.448 3.229 20 30 CGEDMO C=CCCCC[N@@H+]1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000828032459 633551236 /nfs/dbraw/zinc/55/12/36/633551236.db2.gz WCVZBUPSYIZTGU-HUUCEWRRSA-N 1 1 295.448 3.229 20 30 CGEDMO CCCCCCCCC[N@@H+](C)CC1(O)CCOCC1 ZINC000123178833 633598289 /nfs/dbraw/zinc/59/82/89/633598289.db2.gz WPDCZXACBYZFHG-UHFFFAOYSA-N 1 1 271.445 3.210 20 30 CGEDMO C=CCCCC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000828564490 633628996 /nfs/dbraw/zinc/62/89/96/633628996.db2.gz QLYNJPFTNGJENS-KRWDZBQOSA-N 1 1 270.376 3.288 20 30 CGEDMO C=CCCCC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000828564490 633629001 /nfs/dbraw/zinc/62/90/01/633629001.db2.gz QLYNJPFTNGJENS-KRWDZBQOSA-N 1 1 270.376 3.288 20 30 CGEDMO C=CC1(CC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)CCCCC1 ZINC000828962045 633673502 /nfs/dbraw/zinc/67/35/02/633673502.db2.gz YVJHDTUDOFZOQV-CVEARBPZSA-N 1 1 290.451 3.208 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2nc(-c3ccccc3C)no2)C1 ZINC000829769220 633778876 /nfs/dbraw/zinc/77/88/76/633778876.db2.gz QLNWJGRSWQRMIU-HNNXBMFYSA-N 1 1 295.386 3.280 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](CCCOc2ccccc2)C1 ZINC000829774235 633780046 /nfs/dbraw/zinc/78/00/46/633780046.db2.gz NPSMRLYHVDPWPI-INIZCTEOSA-N 1 1 257.377 3.191 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+]([C@H](C)c2cccc(OC)c2)C1 ZINC000829784032 633781830 /nfs/dbraw/zinc/78/18/30/633781830.db2.gz DVYDEKRFPLEWLH-HUUCEWRRSA-N 1 1 257.377 3.492 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](C[C@H](O)c2cccc(Cl)c2)C1 ZINC000829784925 633783521 /nfs/dbraw/zinc/78/35/21/633783521.db2.gz OCJZHUJNLHGECI-CJNGLKHVSA-N 1 1 277.795 3.109 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000829811156 633794152 /nfs/dbraw/zinc/79/41/52/633794152.db2.gz YTFFSVQPQUWKKM-CVEARBPZSA-N 1 1 261.409 3.214 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccn3)nc2)C1 ZINC000829815865 633796472 /nfs/dbraw/zinc/79/64/72/633796472.db2.gz VBDAYSRECXDYMF-MRXNPFEDSA-N 1 1 291.398 3.379 20 30 CGEDMO CC(=O)[C@@](C#N)(CCn1cc[nH+]c1C(C)C)c1ccccc1 ZINC000871664097 633816088 /nfs/dbraw/zinc/81/60/88/633816088.db2.gz RAOUCDZGKSSAFE-SFHVURJKSA-N 1 1 295.386 3.447 20 30 CGEDMO C#CC1CC[NH+]([C@H](C)c2nnc(-c3cccs3)o2)CC1 ZINC000830305686 633848744 /nfs/dbraw/zinc/84/87/44/633848744.db2.gz QPWFPAUNTAJECT-LLVKDONJSA-N 1 1 287.388 3.204 20 30 CGEDMO Cc1ccccc1CC[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000830389114 633859124 /nfs/dbraw/zinc/85/91/24/633859124.db2.gz YPLCGXSHOLKERP-LJQANCHMSA-N 1 1 294.398 3.075 20 30 CGEDMO C[C@@H]1CCC[C@H](C2C[NH+](C[C@@H](C#N)CCC#N)C2)C1 ZINC000871991429 633933927 /nfs/dbraw/zinc/93/39/27/633933927.db2.gz WZEUYGKOPRZMOO-KFWWJZLASA-N 1 1 259.397 3.188 20 30 CGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc([C@H](C)c2cccs2)no1 ZINC000872176851 634078873 /nfs/dbraw/zinc/07/88/73/634078873.db2.gz YZZMOJIDGWQTHW-RKDXNWHRSA-N 1 1 283.784 3.425 20 30 CGEDMO CCc1nc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)co1 ZINC000834898230 634274416 /nfs/dbraw/zinc/27/44/16/634274416.db2.gz KLIBQZSNXJNSBE-INIZCTEOSA-N 1 1 281.359 3.276 20 30 CGEDMO C[C@H]1CC(N=Nc2cc(C(F)(F)F)ccn2)C[N@H+]1C1CC1 ZINC000834984206 634304593 /nfs/dbraw/zinc/30/45/93/634304593.db2.gz RYWHGWILMPBFLL-VIFPVBQESA-N 1 1 298.312 3.125 20 30 CGEDMO CC(C)c1ccc(N[NH2+]C2=CC(=O)N3CCCC[C@@H]23)cc1 ZINC000835018404 634319939 /nfs/dbraw/zinc/31/99/39/634319939.db2.gz NKWGEPBAROLEMF-INIZCTEOSA-N 1 1 285.391 3.363 20 30 CGEDMO CC(C)c1ccc(N[NH+]=Cc2cnc(N(C)C)nc2)cc1 ZINC000835017813 634320177 /nfs/dbraw/zinc/32/01/77/634320177.db2.gz AVHBCCXVTULPTR-UHFFFAOYSA-N 1 1 283.379 3.112 20 30 CGEDMO C#CCCCCCC[N@@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000876532156 634851622 /nfs/dbraw/zinc/85/16/22/634851622.db2.gz YMPJEXVWUJPLRH-UHFFFAOYSA-N 1 1 297.402 3.351 20 30 CGEDMO C#CCCCCCC[N@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000876532156 634851626 /nfs/dbraw/zinc/85/16/26/634851626.db2.gz YMPJEXVWUJPLRH-UHFFFAOYSA-N 1 1 297.402 3.351 20 30 CGEDMO N#Cc1cnc(Cl)c(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c1 ZINC000876639800 634873285 /nfs/dbraw/zinc/87/32/85/634873285.db2.gz XEQYVULJNRVEDY-OCCSQVGLSA-N 1 1 275.783 3.371 20 30 CGEDMO N#Cc1cnc(Cl)c(C[N@H+]2CCC[C@@H]2C2CCC2)c1 ZINC000876660084 634876532 /nfs/dbraw/zinc/87/65/32/634876532.db2.gz NDLFMDLXJYHZQA-CQSZACIVSA-N 1 1 275.783 3.371 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@H](COCC)C1 ZINC000876738387 634889623 /nfs/dbraw/zinc/88/96/23/634889623.db2.gz CJWZLCPOZUISBX-INIZCTEOSA-N 1 1 251.414 3.319 20 30 CGEDMO CC[N@@H+](C[C@H](C)CCC#N)C[C@H](O)c1ccc(C)cc1 ZINC000876763364 634895812 /nfs/dbraw/zinc/89/58/12/634895812.db2.gz DVZYODZCOSYIDZ-WBVHZDCISA-N 1 1 274.408 3.290 20 30 CGEDMO N#CC1(COC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CCC1 ZINC000837749526 634980290 /nfs/dbraw/zinc/98/02/90/634980290.db2.gz XWQVRKZZJOMQQG-OAHLLOKOSA-N 1 1 290.407 3.021 20 30 CGEDMO C#CCCCCCC[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000877140136 635000050 /nfs/dbraw/zinc/00/00/50/635000050.db2.gz NXBBOOOTADXKKY-QGZVFWFLSA-N 1 1 263.425 3.461 20 30 CGEDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000877413850 635037169 /nfs/dbraw/zinc/03/71/69/635037169.db2.gz SDTNREFIDLKRLF-GWCFXTLKSA-N 1 1 263.772 3.227 20 30 CGEDMO C#CCCCCCC[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000877516080 635067303 /nfs/dbraw/zinc/06/73/03/635067303.db2.gz BNYALJWHNZDJRM-KBPBESRZSA-N 1 1 291.357 3.063 20 30 CGEDMO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1cc(C#N)cnc1Cl ZINC000877590769 635104636 /nfs/dbraw/zinc/10/46/36/635104636.db2.gz HBQICUKLUZHGTD-SNVBAGLBSA-N 1 1 263.772 3.227 20 30 CGEDMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000877590769 635104638 /nfs/dbraw/zinc/10/46/38/635104638.db2.gz HBQICUKLUZHGTD-SNVBAGLBSA-N 1 1 263.772 3.227 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)Cc2c(C)nn(CC)c2C)cc1 ZINC000877664945 635137853 /nfs/dbraw/zinc/13/78/53/635137853.db2.gz ZHSYTCDKFGZAGF-UHFFFAOYSA-N 1 1 281.403 3.133 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1ccsc1 ZINC000877703818 635155739 /nfs/dbraw/zinc/15/57/39/635155739.db2.gz FBQKNAWYJCPOQG-UHFFFAOYSA-N 1 1 256.374 3.294 20 30 CGEDMO Cc1ccoc1C[N@@H+](C)CCc1cccc(C#N)c1 ZINC000877704705 635157281 /nfs/dbraw/zinc/15/72/81/635157281.db2.gz SGTAKVARJZGCGV-UHFFFAOYSA-N 1 1 254.333 3.134 20 30 CGEDMO FC(F)CNN=C1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000841627221 635200741 /nfs/dbraw/zinc/20/07/41/635200741.db2.gz ZSOMZLXTQBJYJS-OAHLLOKOSA-N 1 1 293.361 3.197 20 30 CGEDMO C[C@@H](CC#N)NN=C1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000841633098 635203027 /nfs/dbraw/zinc/20/30/27/635203027.db2.gz NBJFZEGISHKWNB-KSSFIOAISA-N 1 1 296.418 3.234 20 30 CGEDMO Cc1csc([C@H]2CC[N@H+](C[C@H](C)CCC#N)C2)n1 ZINC000877814487 635222024 /nfs/dbraw/zinc/22/20/24/635222024.db2.gz ROFKGYBHUZUKOW-YPMHNXCESA-N 1 1 263.410 3.181 20 30 CGEDMO C#C[C@H]([NH2+][C@H]1COC(C)(C)C1)c1ccc(Cl)cc1F ZINC000841885540 635246395 /nfs/dbraw/zinc/24/63/95/635246395.db2.gz FYFCLCLLAZGRME-RISCZKNCSA-N 1 1 281.758 3.311 20 30 CGEDMO C#CCCCCCN1CC[NH+](CCc2ccccc2)CC1 ZINC000877914508 635267354 /nfs/dbraw/zinc/26/73/54/635267354.db2.gz AHCXHHVZXJWVDF-UHFFFAOYSA-N 1 1 284.447 3.040 20 30 CGEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000877935332 635279143 /nfs/dbraw/zinc/27/91/43/635279143.db2.gz JNDUFNZKSXFOTH-QAPCUYQASA-N 1 1 284.403 3.301 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000877955231 635287474 /nfs/dbraw/zinc/28/74/74/635287474.db2.gz HVZPUPDUUOGMHA-LSDHHAIUSA-N 1 1 288.439 3.149 20 30 CGEDMO C[C@@H](c1cccc(F)c1)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000842147428 635296282 /nfs/dbraw/zinc/29/62/82/635296282.db2.gz CYOSCFNNYNXVIH-SCLBCKFNSA-N 1 1 298.361 3.424 20 30 CGEDMO C=CC[N@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)C(C)C ZINC000877976228 635301915 /nfs/dbraw/zinc/30/19/15/635301915.db2.gz MFVVWTPYFRVAOR-GOSISDBHSA-N 1 1 284.403 3.323 20 30 CGEDMO CC[C@@H](C)C[N@@H+](C)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878093114 635352328 /nfs/dbraw/zinc/35/23/28/635352328.db2.gz FMYCEZZNXCPUHR-QAPCUYQASA-N 1 1 286.419 3.405 20 30 CGEDMO C#CCCCCC[N@H+]1CCOC[C@@H]1c1ccc(C)o1 ZINC000878114100 635362840 /nfs/dbraw/zinc/36/28/40/635362840.db2.gz TVCVPEIJVPMHPE-OAHLLOKOSA-N 1 1 261.365 3.155 20 30 CGEDMO C#CCCCCC[N@@H+]1CCOC[C@@H]1c1ccc(C)o1 ZINC000878114100 635362841 /nfs/dbraw/zinc/36/28/41/635362841.db2.gz TVCVPEIJVPMHPE-OAHLLOKOSA-N 1 1 261.365 3.155 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)C[C@@H]1CCC2(CCC2)O1 ZINC000878121056 635365947 /nfs/dbraw/zinc/36/59/47/635365947.db2.gz HETFXGDGQSGVPX-AWEZNQCLSA-N 1 1 264.413 3.350 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@@H]1CCC2(CCC2)O1 ZINC000878121056 635365954 /nfs/dbraw/zinc/36/59/54/635365954.db2.gz HETFXGDGQSGVPX-AWEZNQCLSA-N 1 1 264.413 3.350 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@H]1CCC2(CCOCC2)O1 ZINC000878123841 635368769 /nfs/dbraw/zinc/36/87/69/635368769.db2.gz CQIPDULTVHNDCD-MRXNPFEDSA-N 1 1 281.440 3.393 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)CCCOC(F)(F)F ZINC000878159350 635385549 /nfs/dbraw/zinc/38/55/49/635385549.db2.gz JEEORZVQTUJDPZ-UHFFFAOYSA-N 1 1 266.307 3.175 20 30 CGEDMO C#CCCCCC[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000878192603 635405912 /nfs/dbraw/zinc/40/59/12/635405912.db2.gz GRUSRKJXCGGRCJ-CQSZACIVSA-N 1 1 263.406 3.315 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cn2ccn(C(C)C)c2=S)C1 ZINC000842629158 635420134 /nfs/dbraw/zinc/42/01/34/635420134.db2.gz KHKSQJINXFTXOR-CQSZACIVSA-N 1 1 277.437 3.293 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@@H+](CC)CCSC)c1O ZINC000842645479 635427267 /nfs/dbraw/zinc/42/72/67/635427267.db2.gz ZLEQMYRJIUXOQA-UHFFFAOYSA-N 1 1 295.448 3.314 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1C[C@H]1CCC2(CCOCC2)CO1 ZINC000878524642 635542178 /nfs/dbraw/zinc/54/21/78/635542178.db2.gz RTHMGNOUOOLGKB-HZPDHXFCSA-N 1 1 279.424 3.003 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000878634852 635583237 /nfs/dbraw/zinc/58/32/37/635583237.db2.gz NAZXBSDPYKOUEV-AEFFLSMTSA-N 1 1 273.420 3.268 20 30 CGEDMO C#CCOc1ccc([C@H](C)[NH2+]Cc2cscn2)cc1 ZINC000127319727 635620966 /nfs/dbraw/zinc/62/09/66/635620966.db2.gz RURSKTAVFNPAFF-LBPRGKRZSA-N 1 1 272.373 3.006 20 30 CGEDMO CC[N@@H+](CCSC)Cc1ccc(N(C)CCC#N)cc1 ZINC000843437609 635675606 /nfs/dbraw/zinc/67/56/06/635675606.db2.gz PLEVLSQUOQOZCP-UHFFFAOYSA-N 1 1 291.464 3.221 20 30 CGEDMO N#CCc1cccc2c1CC[N@@H+](C[C@@H]1C[C@H]3CCC[C@@H]3O1)C2 ZINC000879064294 635692834 /nfs/dbraw/zinc/69/28/34/635692834.db2.gz BHSVRAJSCXAAGQ-AYBZRNKSSA-N 1 1 296.414 3.068 20 30 CGEDMO C=C(CC)C[N@@H+]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC000879633203 635822484 /nfs/dbraw/zinc/82/24/84/635822484.db2.gz FDVMJYLYFBYGLR-INIZCTEOSA-N 1 1 261.365 3.035 20 30 CGEDMO C=C(CC)C[N@H+]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC000879633203 635822485 /nfs/dbraw/zinc/82/24/85/635822485.db2.gz FDVMJYLYFBYGLR-INIZCTEOSA-N 1 1 261.365 3.035 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CCC[C@H](c2ccccc2OC)CC1 ZINC000879730963 635845088 /nfs/dbraw/zinc/84/50/88/635845088.db2.gz GJAMWKRDKPEPJU-RDJZCZTQSA-N 1 1 289.419 3.202 20 30 CGEDMO CCOc1ccc(O)c(/C=N/CCC[N@@H+](C)CC(C)C)c1 ZINC000844269976 635850901 /nfs/dbraw/zinc/85/09/01/635850901.db2.gz GJAIKNJDLCFNLT-LDADJPATSA-N 1 1 292.423 3.188 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000879961255 635890122 /nfs/dbraw/zinc/89/01/22/635890122.db2.gz CHLWGJKIPLRYDK-CZUORRHYSA-N 1 1 272.392 3.102 20 30 CGEDMO C#CCCCCC[N@@H+]1CCc2ccc(NC(C)=O)cc2C1 ZINC000880033217 635901970 /nfs/dbraw/zinc/90/19/70/635901970.db2.gz WOGOWBSCMORREM-UHFFFAOYSA-N 1 1 284.403 3.197 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)cc1F ZINC000844441622 635903508 /nfs/dbraw/zinc/90/35/08/635903508.db2.gz PQIHDWOWEVVHRX-CQSZACIVSA-N 1 1 280.293 3.319 20 30 CGEDMO C[C@@H](c1ccccc1)N1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000880250450 635957182 /nfs/dbraw/zinc/95/71/82/635957182.db2.gz KHEYDFXOKYAYFS-INIZCTEOSA-N 1 1 285.435 3.305 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000880316419 635973803 /nfs/dbraw/zinc/97/38/03/635973803.db2.gz GQPBSCIWTMXNQB-LBPRGKRZSA-N 1 1 287.363 3.143 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H](c2nccs2)C1 ZINC000880316419 635973808 /nfs/dbraw/zinc/97/38/08/635973808.db2.gz GQPBSCIWTMXNQB-LBPRGKRZSA-N 1 1 287.363 3.143 20 30 CGEDMO C[C@@H]1c2sccc2CC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000880378723 635989639 /nfs/dbraw/zinc/98/96/39/635989639.db2.gz YWIAUCZAXMONTD-MLGOLLRUSA-N 1 1 298.411 3.272 20 30 CGEDMO C=CCCC[C@@H]([NH2+]Cc1nnnn1C1CC1)c1ccccc1 ZINC000880388719 635991482 /nfs/dbraw/zinc/99/14/82/635991482.db2.gz NNZZEOZCTCYISA-MRXNPFEDSA-N 1 1 297.406 3.195 20 30 CGEDMO C=CCCC[C@H]([NH2+]Cc1cnn(C)n1)c1ccccc1 ZINC000880390258 635992062 /nfs/dbraw/zinc/99/20/62/635992062.db2.gz PTNSHICRQSZBBZ-INIZCTEOSA-N 1 1 270.380 3.002 20 30 CGEDMO C#CC[N@@H+](Cc1cc(OC)ccn1)[C@@H]1CCc2ccccc21 ZINC000128467447 636011313 /nfs/dbraw/zinc/01/13/13/636011313.db2.gz OTBMTHOMIWGVAW-LJQANCHMSA-N 1 1 292.382 3.213 20 30 CGEDMO C#CC[N@H+](Cc1cc(OC)ccn1)[C@@H]1CCc2ccccc21 ZINC000128467447 636011316 /nfs/dbraw/zinc/01/13/16/636011316.db2.gz OTBMTHOMIWGVAW-LJQANCHMSA-N 1 1 292.382 3.213 20 30 CGEDMO C=CCC1(C(=O)OC[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCC1 ZINC000845821071 636103987 /nfs/dbraw/zinc/10/39/87/636103987.db2.gz LPEBQCWZZHIHJD-KGLIPLIRSA-N 1 1 265.397 3.006 20 30 CGEDMO CC(C)C[N@H+](CCC#N)Cc1cc2cnccc2o1 ZINC000845903230 636117521 /nfs/dbraw/zinc/11/75/21/636117521.db2.gz MXAFBPZOCSNHRY-UHFFFAOYSA-N 1 1 257.337 3.199 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)Cc1cc2cnccc2o1 ZINC000845903230 636117523 /nfs/dbraw/zinc/11/75/23/636117523.db2.gz MXAFBPZOCSNHRY-UHFFFAOYSA-N 1 1 257.337 3.199 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC23CCCC3)cc1 ZINC000845999299 636128494 /nfs/dbraw/zinc/12/84/94/636128494.db2.gz HAYXSXJAYREQLK-CQSZACIVSA-N 1 1 270.376 3.496 20 30 CGEDMO C[C@H]1C[C@@H](C(=O)Nc2ccc(C3CC3)c(C#N)c2)CC[N@H+]1C ZINC000882310975 636310132 /nfs/dbraw/zinc/31/01/32/636310132.db2.gz ZSDDITJOPYGDID-JSGCOSHPSA-N 1 1 297.402 3.104 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCCCC[C@H]2CO)cc1 ZINC000847018202 636311692 /nfs/dbraw/zinc/31/16/92/636311692.db2.gz XAGBSUHMXFRENA-KRWDZBQOSA-N 1 1 286.419 3.225 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+]([C@H](C)c2nc(-c3cccs3)no2)C1 ZINC000847022661 636313548 /nfs/dbraw/zinc/31/35/48/636313548.db2.gz IMOJPSNFZFSTFH-VXGBXAGGSA-N 1 1 287.388 3.204 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)c2nc(-c3cccs3)no2)C1 ZINC000847022661 636313554 /nfs/dbraw/zinc/31/35/54/636313554.db2.gz IMOJPSNFZFSTFH-VXGBXAGGSA-N 1 1 287.388 3.204 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000847022177 636313980 /nfs/dbraw/zinc/31/39/80/636313980.db2.gz SPDHPUMNQWTCAT-AWEZNQCLSA-N 1 1 250.345 3.080 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](CC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000847024991 636315209 /nfs/dbraw/zinc/31/52/09/636315209.db2.gz AWOKSAFORFPTIM-DGTBMVLOSA-N 1 1 285.431 3.117 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](CC(=O)Nc2cccc3ccccc32)C1 ZINC000847028463 636319120 /nfs/dbraw/zinc/31/91/20/636319120.db2.gz YSWXEUAPTRPKRE-HNNXBMFYSA-N 1 1 292.382 3.124 20 30 CGEDMO C#C[C@H]1CCC[N@H+](CC(=O)Nc2cccc3ccccc32)C1 ZINC000847028463 636319125 /nfs/dbraw/zinc/31/91/25/636319125.db2.gz YSWXEUAPTRPKRE-HNNXBMFYSA-N 1 1 292.382 3.124 20 30 CGEDMO C[C@H](CCC#N)[NH2+][C@H](Cc1ccccc1)c1ncco1 ZINC000847099865 636336201 /nfs/dbraw/zinc/33/62/01/636336201.db2.gz UYDKGKNVFMGEJR-UKRRQHHQSA-N 1 1 269.348 3.240 20 30 CGEDMO C=C[C@@H](CC(=O)OCC[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000847823317 636460115 /nfs/dbraw/zinc/46/01/15/636460115.db2.gz LGWLFQROKUAYHX-HOTGVXAUSA-N 1 1 287.403 3.231 20 30 CGEDMO C=C(C)C[C@H](CO)Nc1cc(C(F)(F)F)cc(C)[nH+]1 ZINC000883005244 636502666 /nfs/dbraw/zinc/50/26/66/636502666.db2.gz IFBXYCUDJBSKSB-LLVKDONJSA-N 1 1 274.286 3.148 20 30 CGEDMO CC(C)c1c[nH]c(C[NH2+][C@@H](C)c2cccc(C#N)c2)n1 ZINC000883025485 636510344 /nfs/dbraw/zinc/51/03/44/636510344.db2.gz MNYFBKGJMJEGEL-LBPRGKRZSA-N 1 1 268.364 3.256 20 30 CGEDMO c1ccc2c(N=NC3CCC[N@@H+]4CCCC[C@@H]34)ccnc2c1 ZINC000848405726 636568140 /nfs/dbraw/zinc/56/81/40/636568140.db2.gz WDHNHNOOXPHDQT-SFHVURJKSA-N 1 1 294.402 3.073 20 30 CGEDMO Cc1ccn(C[N@H+]2CCC[C@@H]2CC2CCCC2)c(=O)c1C#N ZINC000848504870 636582193 /nfs/dbraw/zinc/58/21/93/636582193.db2.gz GPFCKEXZMSYYHS-MRXNPFEDSA-N 1 1 299.418 3.031 20 30 CGEDMO C=CCCCCC[C@H](C)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000848560200 636605509 /nfs/dbraw/zinc/60/55/09/636605509.db2.gz AACONJTTWIVIQX-ZDUSSCGKSA-N 1 1 279.432 3.043 20 30 CGEDMO N#CCCCC[C@@H]([NH3+])c1nc([C@H]2CCCCS2)no1 ZINC000848625394 636623180 /nfs/dbraw/zinc/62/31/80/636623180.db2.gz SNYARGZWTUPGKS-GHMZBOCLSA-N 1 1 280.397 3.112 20 30 CGEDMO CC(C)(c1noc([C@H]([NH3+])CCCCC#N)n1)c1ccccc1 ZINC000848626207 636623287 /nfs/dbraw/zinc/62/32/87/636623287.db2.gz DOODOBJJNMNVNO-CQSZACIVSA-N 1 1 298.390 3.479 20 30 CGEDMO N#CCCCC[C@H]([NH3+])c1nc([C@@H]2CCC(F)(F)C2)no1 ZINC000848632150 636625262 /nfs/dbraw/zinc/62/52/62/636625262.db2.gz OIWYGNXMRPIJQL-ZJUUUORDSA-N 1 1 284.310 3.056 20 30 CGEDMO C=CCC[C@H](C)[NH2+][C@H](C)C(=O)OCc1ccccc1 ZINC000848921893 636692578 /nfs/dbraw/zinc/69/25/78/636692578.db2.gz XCSMGMKCMPBHIN-UONOGXRCSA-N 1 1 261.365 3.063 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OCCC)c2)C1 ZINC000848924036 636695528 /nfs/dbraw/zinc/69/55/28/636695528.db2.gz VERZIKWRILXSHB-OAHLLOKOSA-N 1 1 287.403 3.329 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2nccc3ccccc32)C1 ZINC000848924755 636696823 /nfs/dbraw/zinc/69/68/23/636696823.db2.gz ZKHUGJQTBLTNAY-AWEZNQCLSA-N 1 1 250.345 3.080 20 30 CGEDMO C[C@@H](C#N)C[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000849004027 636711466 /nfs/dbraw/zinc/71/14/66/636711466.db2.gz UUMMQBWJARHFJL-AWEZNQCLSA-N 1 1 270.380 3.100 20 30 CGEDMO C=C(Cl)C[N@H+](Cc1ccccc1)C[C@H](O)CC ZINC000134500137 637024637 /nfs/dbraw/zinc/02/46/37/637024637.db2.gz QPLWRHCQFALWEM-CQSZACIVSA-N 1 1 253.773 3.012 20 30 CGEDMO C=C(Cl)C[N@@H+](Cc1ccccc1)C[C@H](O)CC ZINC000134500137 637024639 /nfs/dbraw/zinc/02/46/39/637024639.db2.gz QPLWRHCQFALWEM-CQSZACIVSA-N 1 1 253.773 3.012 20 30 CGEDMO CC(C)CC[C@@H]1CCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000135309019 637110561 /nfs/dbraw/zinc/11/05/61/637110561.db2.gz MSFBWTBWVQEPLW-ROUUACIJSA-N 1 1 286.419 3.492 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)C[C@H](O)c1cccc(F)c1 ZINC000109813445 637293821 /nfs/dbraw/zinc/29/38/21/637293821.db2.gz QIAHHXAOZQXYHE-HNNXBMFYSA-N 1 1 278.371 3.121 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@H](O)c1cccc(F)c1 ZINC000109813445 637293822 /nfs/dbraw/zinc/29/38/22/637293822.db2.gz QIAHHXAOZQXYHE-HNNXBMFYSA-N 1 1 278.371 3.121 20 30 CGEDMO C[N@H+](Cc1ccc(Cl)s1)C[C@H](O)CC1(C#N)CCC1 ZINC000885930579 637317142 /nfs/dbraw/zinc/31/71/42/637317142.db2.gz BBHKQOGYVHCOIX-LLVKDONJSA-N 1 1 298.839 3.278 20 30 CGEDMO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@@](C)(O)C(F)F ZINC000885931729 637318869 /nfs/dbraw/zinc/31/88/69/637318869.db2.gz YDGSXAMLIFMIOO-GFCCVEGCSA-N 1 1 295.782 3.406 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@](C)(O)C(F)F ZINC000885931729 637318871 /nfs/dbraw/zinc/31/88/71/637318871.db2.gz YDGSXAMLIFMIOO-GFCCVEGCSA-N 1 1 295.782 3.406 20 30 CGEDMO C[C@H](c1ccccc1)[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000885937477 637321672 /nfs/dbraw/zinc/32/16/72/637321672.db2.gz AAIOEMPCOVACPZ-ZBFHGGJFSA-N 1 1 272.392 3.124 20 30 CGEDMO CCC(CC)C[N@@H+](CC)C[C@@H](O)CC1(C#N)CCC1 ZINC000885954416 637329101 /nfs/dbraw/zinc/32/91/01/637329101.db2.gz XHQOWFAHJZUPPR-HNNXBMFYSA-N 1 1 266.429 3.189 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@H]2c2ccsc2)CCC1 ZINC000885953767 637329750 /nfs/dbraw/zinc/32/97/50/637329750.db2.gz FMHNRGOMJLHSOI-CABCVRRESA-N 1 1 290.432 3.330 20 30 CGEDMO C[C@@H](c1cccs1)[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000885959415 637332236 /nfs/dbraw/zinc/33/22/36/637332236.db2.gz ZZTYYMRDGJFHCM-STQMWFEESA-N 1 1 278.421 3.186 20 30 CGEDMO C[C@H](c1ccccc1F)[N@@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000885959033 637332509 /nfs/dbraw/zinc/33/25/09/637332509.db2.gz QUFHKQWWCLBPMS-ZIAGYGMSSA-N 1 1 290.382 3.263 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1F)C[C@H]1C[C@]12CCOC2 ZINC000885963895 637335054 /nfs/dbraw/zinc/33/50/54/637335054.db2.gz RUBAVJYKOYKGOT-WBVHZDCISA-N 1 1 275.367 3.240 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@@H]2C2CCCC2)CCC1 ZINC000885963962 637335235 /nfs/dbraw/zinc/33/52/35/637335235.db2.gz UATQNHZWCAWHBK-HZPDHXFCSA-N 1 1 276.424 3.086 20 30 CGEDMO CC(C)[N@H+](Cc1cccs1)C[C@H](O)CC1(C#N)CCC1 ZINC000885964711 637335475 /nfs/dbraw/zinc/33/54/75/637335475.db2.gz DXCQTWZXUKVMSU-CQSZACIVSA-N 1 1 292.448 3.403 20 30 CGEDMO C[N@@H+](CCC1CCCCC1)C[C@H](O)CC1(C#N)CCC1 ZINC000885979507 637341962 /nfs/dbraw/zinc/34/19/62/637341962.db2.gz DZXLGSOYVKSYSQ-MRXNPFEDSA-N 1 1 278.440 3.333 20 30 CGEDMO CC[C@H](C)[C@@H](C)[N@@H+](C[C@@H](O)CC1(C#N)CCC1)C1CC1 ZINC000885989283 637344138 /nfs/dbraw/zinc/34/41/38/637344138.db2.gz ZYDBARRLUDDJEL-LZWOXQAQSA-N 1 1 278.440 3.330 20 30 CGEDMO CC1(C)c2ccccc2CC[N@@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886105141 637416093 /nfs/dbraw/zinc/41/60/93/637416093.db2.gz SQSTYCZTUDJBMR-MRXNPFEDSA-N 1 1 298.430 3.225 20 30 CGEDMO CC(C)(C)[C@H]1CCC[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886184019 637451282 /nfs/dbraw/zinc/45/12/82/637451282.db2.gz RZHSEODEIZIVJQ-LSDHHAIUSA-N 1 1 278.440 3.189 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC=C(c3ccccc3)C2)CCC1 ZINC000886193714 637453568 /nfs/dbraw/zinc/45/35/68/637453568.db2.gz AWHURLUAHLZQPA-GOSISDBHSA-N 1 1 296.414 3.221 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)[C@H]1CC[C@@H](OC)C1 ZINC000851712399 637471057 /nfs/dbraw/zinc/47/10/57/637471057.db2.gz OEKUQJDWQYLYGA-QWHCGFSZSA-N 1 1 251.395 3.304 20 30 CGEDMO Cc1cc(C[NH2+]Cc2cc(C3CC3)no2)ccc1C#N ZINC000886270875 637476042 /nfs/dbraw/zinc/47/60/42/637476042.db2.gz PMUGGFOJPHCXJC-UHFFFAOYSA-N 1 1 267.332 3.022 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)CCC1 ZINC000886288756 637485370 /nfs/dbraw/zinc/48/53/70/637485370.db2.gz GVORFLUHSKGVPJ-XHSDSOJGSA-N 1 1 276.424 3.086 20 30 CGEDMO C#CCOCC[N@H+](Cc1ccco1)Cc1ccc(C)s1 ZINC000851736966 637485440 /nfs/dbraw/zinc/48/54/40/637485440.db2.gz QWACKLQQZWLJLD-UHFFFAOYSA-N 1 1 289.400 3.302 20 30 CGEDMO C#CCOCC[N@@H+](Cc1ccco1)Cc1ccc(C)s1 ZINC000851736966 637485442 /nfs/dbraw/zinc/48/54/42/637485442.db2.gz QWACKLQQZWLJLD-UHFFFAOYSA-N 1 1 289.400 3.302 20 30 CGEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CC[C@@H](OC)C1 ZINC000851738879 637485453 /nfs/dbraw/zinc/48/54/53/637485453.db2.gz WAFDIDMJRHKTMF-GDBMZVCRSA-N 1 1 290.363 3.150 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000886353917 637510050 /nfs/dbraw/zinc/51/00/50/637510050.db2.gz SFHUIRDZGOMSHD-LBPRGKRZSA-N 1 1 272.373 3.248 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC000886358404 637512174 /nfs/dbraw/zinc/51/21/74/637512174.db2.gz UKVVOKDELFFVPD-LBPRGKRZSA-N 1 1 272.373 3.248 20 30 CGEDMO C#CC[C@H]1CC[N@H+]([C@H](CCOC)c2ccccc2)C1 ZINC000886363051 637513814 /nfs/dbraw/zinc/51/38/14/637513814.db2.gz YQRUAIFINYRNQA-DOTOQJQBSA-N 1 1 257.377 3.109 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cnc(OC)c3ccccc23)C1 ZINC000886365135 637513988 /nfs/dbraw/zinc/51/39/88/637513988.db2.gz ANKNMMPLLHNZAM-AWEZNQCLSA-N 1 1 280.371 3.089 20 30 CGEDMO C#CCOCC[N@H+](CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000851948841 637556560 /nfs/dbraw/zinc/55/65/60/637556560.db2.gz JPPDPKLDORYXHB-QGZVFWFLSA-N 1 1 286.419 3.067 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CC[C@@H](C)[C@H]2c2ccccc2)nn1 ZINC000886541268 637568414 /nfs/dbraw/zinc/56/84/14/637568414.db2.gz SQUORKYYAJJQCY-QAPCUYQASA-N 1 1 296.418 3.437 20 30 CGEDMO C#C[C@](C)(CC)[NH2+]Cc1cc(-c2cccs2)on1 ZINC000852096824 637590771 /nfs/dbraw/zinc/59/07/71/637590771.db2.gz GDWFIBTUFLCBHI-CQSZACIVSA-N 1 1 260.362 3.295 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000852320303 637635262 /nfs/dbraw/zinc/63/52/62/637635262.db2.gz YTVWJMWFKGKGGR-NHYWBVRUSA-N 1 1 296.773 3.138 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000852320303 637635269 /nfs/dbraw/zinc/63/52/69/637635269.db2.gz YTVWJMWFKGKGGR-NHYWBVRUSA-N 1 1 296.773 3.138 20 30 CGEDMO N#C[C@]1(c2ccccn2)CCC[N@H+](CCc2cccs2)C1 ZINC000852328524 637636891 /nfs/dbraw/zinc/63/68/91/637636891.db2.gz GZYQPEFVBDAINI-QGZVFWFLSA-N 1 1 297.427 3.243 20 30 CGEDMO N#C[C@]1(c2ccccn2)CCC[N@@H+](CCc2cccs2)C1 ZINC000852328524 637636895 /nfs/dbraw/zinc/63/68/95/637636895.db2.gz GZYQPEFVBDAINI-QGZVFWFLSA-N 1 1 297.427 3.243 20 30 CGEDMO CSc1ccc(C[NH2+][C@H]2C[C@@H](C)n3ccnc32)cc1C#N ZINC000886689749 637653819 /nfs/dbraw/zinc/65/38/19/637653819.db2.gz GZKBTHKXRRUHOG-RISCZKNCSA-N 1 1 298.415 3.272 20 30 CGEDMO CSc1ccc(C[NH2+][C@@H]2C[C@H](C)n3ccnc32)cc1C#N ZINC000886689750 637653936 /nfs/dbraw/zinc/65/39/36/637653936.db2.gz GZKBTHKXRRUHOG-SMDDNHRTSA-N 1 1 298.415 3.272 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H](CCF)C1 ZINC000852533388 637673298 /nfs/dbraw/zinc/67/32/98/637673298.db2.gz UHYZYVXMVQAKOW-GFCCVEGCSA-N 1 1 264.319 3.269 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](CCF)C1 ZINC000852533388 637673306 /nfs/dbraw/zinc/67/33/06/637673306.db2.gz UHYZYVXMVQAKOW-GFCCVEGCSA-N 1 1 264.319 3.269 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000852680066 637693954 /nfs/dbraw/zinc/69/39/54/637693954.db2.gz KZQUYSZSDYXDFV-MRXNPFEDSA-N 1 1 280.456 3.291 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)c1ccccc1C ZINC000852686224 637695594 /nfs/dbraw/zinc/69/55/94/637695594.db2.gz QZEGXNMRCZFBIL-HLLBOEOZSA-N 1 1 257.377 3.211 20 30 CGEDMO C=CCSc1ccccc1NC(=O)C[N@H+](C)CCCF ZINC000887137938 637758042 /nfs/dbraw/zinc/75/80/42/637758042.db2.gz YLNHVISFKOSVQP-UHFFFAOYSA-N 1 1 296.411 3.195 20 30 CGEDMO C=CCSc1ccccc1NC(=O)C[N@@H+](C)CCCF ZINC000887137938 637758054 /nfs/dbraw/zinc/75/80/54/637758054.db2.gz YLNHVISFKOSVQP-UHFFFAOYSA-N 1 1 296.411 3.195 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1Cc2ccccc2OC2(CCC2)C1 ZINC000887150166 637764248 /nfs/dbraw/zinc/76/42/48/637764248.db2.gz ZJBMFAWMKNHXIW-MRXNPFEDSA-N 1 1 287.403 3.131 20 30 CGEDMO C#Cc1cccnc1N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000853444226 637846282 /nfs/dbraw/zinc/84/62/82/637846282.db2.gz FQBYFDKCDRZEGO-CRAIPNDOSA-N 1 1 291.398 3.138 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1CCC(CC)(CC)C1=O ZINC000853597825 637871552 /nfs/dbraw/zinc/87/15/52/637871552.db2.gz GMPGUBGXARMBSA-GASCZTMLSA-N 1 1 276.424 3.166 20 30 CGEDMO Cc1ccc(NC(=[NH2+])NC[C@H](CC(C)C)N(C)C)cc1C ZINC000104160382 638010247 /nfs/dbraw/zinc/01/02/47/638010247.db2.gz AMEJVPKULKTSCB-INIZCTEOSA-N 1 1 290.455 3.006 20 30 CGEDMO C=CCC(C)(C)c1noc([C@H]2CCC[N@H+]2C(C)C)n1 ZINC000924080260 638294917 /nfs/dbraw/zinc/29/49/17/638294917.db2.gz NRPMNPFZCBFUFC-GFCCVEGCSA-N 1 1 263.385 3.469 20 30 CGEDMO C=CCC(C)(C)c1noc([C@H]2CCC[N@@H+]2C(C)C)n1 ZINC000924080260 638294923 /nfs/dbraw/zinc/29/49/23/638294923.db2.gz NRPMNPFZCBFUFC-GFCCVEGCSA-N 1 1 263.385 3.469 20 30 CGEDMO CC(C)[C@@H](C[NH2+][C@@H](C)CC(C)(C)C#N)N1CCCC1 ZINC000924634649 638380179 /nfs/dbraw/zinc/38/01/79/638380179.db2.gz ZTYVXXIQSXXBRG-LSDHHAIUSA-N 1 1 265.445 3.025 20 30 CGEDMO C=CC[C@@H](Cc1ccccc1)N[C@H]1CC[NH2+]C12CCC2 ZINC000925692125 638571246 /nfs/dbraw/zinc/57/12/46/638571246.db2.gz PTIOVZUOVMMOTP-IRXDYDNUSA-N 1 1 270.420 3.048 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)cc1 ZINC000858013872 638618708 /nfs/dbraw/zinc/61/87/08/638618708.db2.gz WSKDFQNTJWYBBE-GOSISDBHSA-N 1 1 292.382 3.025 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858024212 638620085 /nfs/dbraw/zinc/62/00/85/638620085.db2.gz VSJXWEQEZPAZCY-WMLDXEAASA-N 1 1 299.418 3.494 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@@H](Oc2ccc(C)cn2)C1 ZINC000858045391 638622425 /nfs/dbraw/zinc/62/24/25/638622425.db2.gz RSLSTEUNTLFOMH-OAHLLOKOSA-N 1 1 260.381 3.199 20 30 CGEDMO Cc1ccc(CN[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1C#N ZINC000925838780 638628336 /nfs/dbraw/zinc/62/83/36/638628336.db2.gz OAKMAYJDTOYGTR-RTBURBONSA-N 1 1 297.446 3.125 20 30 CGEDMO C[C@H](CC(C)(C)C#N)Nc1ccc2c(c1)[nH+]cn2C ZINC000926094480 638700540 /nfs/dbraw/zinc/70/05/40/638700540.db2.gz AHEJQTUQAGSOKM-LLVKDONJSA-N 1 1 256.353 3.314 20 30 CGEDMO C=C(C)[C@@H]([NH2+][C@H]1CCC1(OC)OC)c1ccc(F)c(F)c1 ZINC000926206311 638740427 /nfs/dbraw/zinc/74/04/27/638740427.db2.gz MDONCKMAVQEDGW-LSDHHAIUSA-N 1 1 297.345 3.323 20 30 CGEDMO CC(C)n1cc([C@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)nn1 ZINC000926314702 638762402 /nfs/dbraw/zinc/76/24/02/638762402.db2.gz HQAALMAXKLPBTM-LRDDRELGSA-N 1 1 295.390 3.069 20 30 CGEDMO C=C1CCC(C[NH2+][C@@H](c2ncc[nH]2)c2ccccn2)CC1 ZINC000926925237 638826534 /nfs/dbraw/zinc/82/65/34/638826534.db2.gz JGWMTDYOIXLMEO-MRXNPFEDSA-N 1 1 282.391 3.230 20 30 CGEDMO N#CC[C@@H](O)C[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC000929157637 638903560 /nfs/dbraw/zinc/90/35/60/638903560.db2.gz NWLIXNCILVSPCW-LJQANCHMSA-N 1 1 294.398 3.006 20 30 CGEDMO COc1cccc(C[N@@H+](C)CC2CCC(C#N)CC2)c1 ZINC000929207736 638908259 /nfs/dbraw/zinc/90/82/59/638908259.db2.gz VWUIJPIGJZRALM-UHFFFAOYSA-N 1 1 272.392 3.457 20 30 CGEDMO COc1ccccc1C[N@@H+](C)CC1CCC(C#N)CC1 ZINC000929209053 638908808 /nfs/dbraw/zinc/90/88/08/638908808.db2.gz LMLQZQXKHMWHEB-UHFFFAOYSA-N 1 1 272.392 3.457 20 30 CGEDMO C[N@@H+](Cc1cncc(C#N)c1)[C@H]1CCc2ccccc21 ZINC000929246518 638911503 /nfs/dbraw/zinc/91/15/03/638911503.db2.gz PVFORVRRGVUIMS-KRWDZBQOSA-N 1 1 263.344 3.073 20 30 CGEDMO CC[N@@H+](CCCCC1(C#N)CCC1)C[C@H]1CCCO1 ZINC000929417471 638924494 /nfs/dbraw/zinc/92/44/94/638924494.db2.gz QEEUZNYBGKSMTE-OAHLLOKOSA-N 1 1 264.413 3.351 20 30 CGEDMO CC[N@@H+](Cc1c(C)cc(C#N)cc1C)C[C@H](C)C#N ZINC000929429597 638924809 /nfs/dbraw/zinc/92/48/09/638924809.db2.gz OBZPBQURSUFQGR-GFCCVEGCSA-N 1 1 255.365 3.157 20 30 CGEDMO CC[N@H+](Cc1c(C)cc(C#N)cc1C)C[C@H](C)C#N ZINC000929429597 638924810 /nfs/dbraw/zinc/92/48/10/638924810.db2.gz OBZPBQURSUFQGR-GFCCVEGCSA-N 1 1 255.365 3.157 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCC[C@@]3(CC=CCC3)C2)c1 ZINC000929649185 638937512 /nfs/dbraw/zinc/93/75/12/638937512.db2.gz WLFXEHKEQKHNNO-KRWDZBQOSA-N 1 1 267.376 3.276 20 30 CGEDMO C[N@@H+](CC1CCC(C#N)CC1)[C@@H](CCO)c1ccccc1 ZINC000929725703 638945411 /nfs/dbraw/zinc/94/54/11/638945411.db2.gz LEJUDOUPRDYPPO-HTWSVDAQSA-N 1 1 286.419 3.372 20 30 CGEDMO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cc1cncc(C#N)c1 ZINC000929770313 638949071 /nfs/dbraw/zinc/94/90/71/638949071.db2.gz WBFHZTMXTDTFHB-DNVCBOLYSA-N 1 1 291.398 3.406 20 30 CGEDMO CCC(CC)C[N@H+](C/C=C(/C)COC)CCC#N ZINC000929777241 638949688 /nfs/dbraw/zinc/94/96/88/638949688.db2.gz ANMKJYUUIRQFDJ-ZSOIEALJSA-N 1 1 252.402 3.231 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCC[C@@H]3COCC[C@@H]32)CCC1 ZINC000929826453 638954810 /nfs/dbraw/zinc/95/48/10/638954810.db2.gz PMIXKAZYQNLJEB-CVEARBPZSA-N 1 1 276.424 3.351 20 30 CGEDMO CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)cc(C#N)cc2C)[C@H](C)C1 ZINC000930000815 638967569 /nfs/dbraw/zinc/96/75/69/638967569.db2.gz RZKYQYIWDFNZJK-APWZRJJASA-N 1 1 299.462 3.337 20 30 CGEDMO CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)cc(C#N)cc2C)[C@H](C)C1 ZINC000930000815 638967572 /nfs/dbraw/zinc/96/75/72/638967572.db2.gz RZKYQYIWDFNZJK-APWZRJJASA-N 1 1 299.462 3.337 20 30 CGEDMO CCN1CC[C@H]([N@H+](C)Cc2c(C)cc(C#N)cc2C)[C@H](C)C1 ZINC000930000815 638967573 /nfs/dbraw/zinc/96/75/73/638967573.db2.gz RZKYQYIWDFNZJK-APWZRJJASA-N 1 1 299.462 3.337 20 30 CGEDMO CCN1CC[C@H]([N@@H+](C)Cc2c(C)cc(C#N)cc2C)[C@H](C)C1 ZINC000930000815 638967576 /nfs/dbraw/zinc/96/75/76/638967576.db2.gz RZKYQYIWDFNZJK-APWZRJJASA-N 1 1 299.462 3.337 20 30 CGEDMO C[C@H]1CC[N@@H+](CC2CCC(C#N)CC2)C[C@@H]1n1ccnc1 ZINC000930055925 638971598 /nfs/dbraw/zinc/97/15/98/638971598.db2.gz UHGAXLOWUWSRGM-OTBWCIGPSA-N 1 1 286.423 3.096 20 30 CGEDMO C[C@@H](C#N)C[N@H+](C[C@H]1CCCC2(CCC2)O1)C1CC1 ZINC000930086589 638973116 /nfs/dbraw/zinc/97/31/16/638973116.db2.gz NHPTVKTWIPTEOM-DZGCQCFKSA-N 1 1 262.397 3.102 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C[C@H]1CCCC2(CCC2)O1)C1CC1 ZINC000930086589 638973118 /nfs/dbraw/zinc/97/31/18/638973118.db2.gz NHPTVKTWIPTEOM-DZGCQCFKSA-N 1 1 262.397 3.102 20 30 CGEDMO C=CC[N@H+](Cc1cnc(Br)c(C)c1)C1CC1 ZINC000930175348 638979678 /nfs/dbraw/zinc/97/96/78/638979678.db2.gz JGMFALCKQILQQE-UHFFFAOYSA-N 1 1 281.197 3.303 20 30 CGEDMO C=C(C)C[N@H+](Cc1[nH]nc2c1COCC2)Cc1ccccc1 ZINC000930272285 638987665 /nfs/dbraw/zinc/98/76/65/638987665.db2.gz DLRGVDKNCJKMOA-UHFFFAOYSA-N 1 1 297.402 3.061 20 30 CGEDMO C=C(C)C[N@@H+](Cc1[nH]nc2c1COCC2)Cc1ccccc1 ZINC000930272285 638987666 /nfs/dbraw/zinc/98/76/66/638987666.db2.gz DLRGVDKNCJKMOA-UHFFFAOYSA-N 1 1 297.402 3.061 20 30 CGEDMO Cc1noc([C@H]2CCCC[N@H+]2CC2CCC(C#N)CC2)n1 ZINC000930475194 639006393 /nfs/dbraw/zinc/00/63/93/639006393.db2.gz CUOURKVSPSVLQY-YMAMQOFZSA-N 1 1 288.395 3.235 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H](O)CC12CCC2 ZINC000930755561 639064701 /nfs/dbraw/zinc/06/47/01/639064701.db2.gz OHVAYNQTCHUDOD-INIZCTEOSA-N 1 1 284.403 3.055 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](O)CC23CCC3)c1 ZINC000930755369 639064848 /nfs/dbraw/zinc/06/48/48/639064848.db2.gz MMIHZPNSFDMFRN-OAHLLOKOSA-N 1 1 290.794 3.091 20 30 CGEDMO COC/C(C)=C/C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000930765553 639065410 /nfs/dbraw/zinc/06/54/10/639065410.db2.gz ZSLVHQBLPDHEQC-MAUPQMMJSA-N 1 1 258.365 3.144 20 30 CGEDMO C[N@@H+](CCCCC1(C#N)CCC1)CCN1CCCCC1 ZINC000930863611 639078207 /nfs/dbraw/zinc/07/82/07/639078207.db2.gz ICMPLJKZECUHPN-UHFFFAOYSA-N 1 1 277.456 3.268 20 30 CGEDMO CN(CCCCC1(C#N)CCC1)CC[NH+]1CCCCC1 ZINC000930863611 639078213 /nfs/dbraw/zinc/07/82/13/639078213.db2.gz ICMPLJKZECUHPN-UHFFFAOYSA-N 1 1 277.456 3.268 20 30 CGEDMO COc1ccc2c(c1)CC[N@H+](CC1CCC(C#N)CC1)C2 ZINC000931016362 639098289 /nfs/dbraw/zinc/09/82/89/639098289.db2.gz RCHYVPWWQAJUBE-UHFFFAOYSA-N 1 1 284.403 3.383 20 30 CGEDMO CCCCCCC[N@@H+]1CCc2nc[nH]c2C12CCOCC2 ZINC000931105544 639112818 /nfs/dbraw/zinc/11/28/18/639112818.db2.gz TXSDMXIKQHANLU-UHFFFAOYSA-N 1 1 291.439 3.244 20 30 CGEDMO CCCCCCC[N@H+]1CCc2nc[nH]c2C12CCOCC2 ZINC000931105544 639112820 /nfs/dbraw/zinc/11/28/20/639112820.db2.gz TXSDMXIKQHANLU-UHFFFAOYSA-N 1 1 291.439 3.244 20 30 CGEDMO CC(C)(C)OC(=O)C(C)(C)[NH2+]CC1CCC(C#N)CC1 ZINC000931268445 639129024 /nfs/dbraw/zinc/12/90/24/639129024.db2.gz BCKPAGFSIWIMIS-UHFFFAOYSA-N 1 1 280.412 3.026 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cccc(Br)n2)C1 ZINC000859445598 639142670 /nfs/dbraw/zinc/14/26/70/639142670.db2.gz LNTWTXHQHBHPQT-LLVKDONJSA-N 1 1 281.197 3.242 20 30 CGEDMO C=CC[C@H]1CC[N@H+](C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000859445290 639142904 /nfs/dbraw/zinc/14/29/04/639142904.db2.gz DXPUBYJSJJPDGY-XHDPSFHLSA-N 1 1 283.774 3.411 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](C[C@H]2CN(C3CCCCC3)C(=O)O2)C1 ZINC000859445937 639143252 /nfs/dbraw/zinc/14/32/52/639143252.db2.gz RQPUHGQOOAUSOS-ZBFHGGJFSA-N 1 1 292.423 3.038 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931910752 639226746 /nfs/dbraw/zinc/22/67/46/639226746.db2.gz SGYYAFLPHAWLAZ-ZJUUUORDSA-N 1 1 251.267 3.317 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CC[C@H](c2cccc(F)c2)C1(C)C ZINC000859856726 639241146 /nfs/dbraw/zinc/24/11/46/639241146.db2.gz UGBYSAQBOOMRKF-CZUORRHYSA-N 1 1 290.382 3.322 20 30 CGEDMO N#CCSCCC[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000932200759 639296006 /nfs/dbraw/zinc/29/60/06/639296006.db2.gz LQEYGRQIUCVDOX-ZDUSSCGKSA-N 1 1 295.477 3.044 20 30 CGEDMO C#CC[N@H+](CCCc1nc(-c2ccccc2)no1)C(C)C ZINC000932391510 639325004 /nfs/dbraw/zinc/32/50/04/639325004.db2.gz IDHCJKFPAUVZBW-UHFFFAOYSA-N 1 1 283.375 3.013 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(C(F)(F)F)cn1)C(C)(C)C ZINC000932462657 639337731 /nfs/dbraw/zinc/33/77/31/639337731.db2.gz BHOHYUJHFMQRSW-UHFFFAOYSA-N 1 1 270.298 3.334 20 30 CGEDMO C=C(C)[C@@H]1CC=C(COC(=O)Cn2c[nH+]cc2C)CC1 ZINC000860579939 639375911 /nfs/dbraw/zinc/37/59/11/639375911.db2.gz RZRZHQNHUUSCAD-OAHLLOKOSA-N 1 1 274.364 3.037 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@H](C3CC3)C[C@@H]2C2CC2)o1 ZINC000932886888 639393127 /nfs/dbraw/zinc/39/31/27/639393127.db2.gz ISCXKKMHPZGUHL-CZUORRHYSA-N 1 1 256.349 3.162 20 30 CGEDMO CC(C)C[C@@H](C)[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933629230 639472571 /nfs/dbraw/zinc/47/25/71/639472571.db2.gz NYWMOENIDHHVLA-RHSMWYFYSA-N 1 1 272.392 3.366 20 30 CGEDMO Cc1cc(C[N@@H+](C)Cc2cc(C#N)cs2)ccc1C#N ZINC000933771355 639488620 /nfs/dbraw/zinc/48/86/20/639488620.db2.gz FPLOWTYTVRYXNT-UHFFFAOYSA-N 1 1 281.384 3.432 20 30 CGEDMO CC(C)CCOCC[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933778798 639489408 /nfs/dbraw/zinc/48/94/08/639489408.db2.gz SVWZFMPZJIFMLA-UHFFFAOYSA-N 1 1 266.410 3.114 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCCSC[C@H]2C2CC2)c1 ZINC000933919090 639508213 /nfs/dbraw/zinc/50/82/13/639508213.db2.gz ZKILYHMWJWHGEN-INIZCTEOSA-N 1 1 290.407 3.415 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1nnc(-c2ccc(C)cc2)o1 ZINC000934470973 639615742 /nfs/dbraw/zinc/61/57/42/639615742.db2.gz FWCAWNQMSZDXIV-CQSZACIVSA-N 1 1 269.348 3.195 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1nnc(-c2ccc(C)cc2)o1 ZINC000934470973 639615751 /nfs/dbraw/zinc/61/57/51/639615751.db2.gz FWCAWNQMSZDXIV-CQSZACIVSA-N 1 1 269.348 3.195 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1cccc(C)c1C ZINC000934472598 639615948 /nfs/dbraw/zinc/61/59/48/639615948.db2.gz OJHYLUJYKGLBSV-GJZGRUSLSA-N 1 1 272.392 3.281 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1CCC(=O)Nc1ccccc1Cl ZINC000934472017 639616000 /nfs/dbraw/zinc/61/60/00/639616000.db2.gz YHIBSNZNTJOWFI-LBPRGKRZSA-N 1 1 278.783 3.319 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1C[C@H](O)c1cccc(Br)c1 ZINC000934471951 639616101 /nfs/dbraw/zinc/61/61/01/639616101.db2.gz WZQHEZBWMTVJHT-KBPBESRZSA-N 1 1 296.208 3.133 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1C[C@H](O)c1cccc(Br)c1 ZINC000934471951 639616107 /nfs/dbraw/zinc/61/61/07/639616107.db2.gz WZQHEZBWMTVJHT-KBPBESRZSA-N 1 1 296.208 3.133 20 30 CGEDMO C[C@@]1(C2CC2)COCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000934477031 639618658 /nfs/dbraw/zinc/61/86/58/639618658.db2.gz BSXYDYBUDSFOML-INIZCTEOSA-N 1 1 276.424 3.351 20 30 CGEDMO CCCCCCC[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000159255814 640035749 /nfs/dbraw/zinc/03/57/49/640035749.db2.gz JFWNRODRSAMPBW-CVEARBPZSA-N 1 1 295.423 3.374 20 30 CGEDMO CCCCCCC[N@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000159255814 640035759 /nfs/dbraw/zinc/03/57/59/640035759.db2.gz JFWNRODRSAMPBW-CVEARBPZSA-N 1 1 295.423 3.374 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000245690012 640632862 /nfs/dbraw/zinc/63/28/62/640632862.db2.gz ARHDQCHANMUJSZ-HZSPNIEDSA-N 1 1 258.365 3.350 20 30 CGEDMO CC[C@H](C)C[N@@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000091796272 640721569 /nfs/dbraw/zinc/72/15/69/640721569.db2.gz ZULUKXUBBZHJAH-KBPBESRZSA-N 1 1 260.381 3.455 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cccc(OC)c1O ZINC000092541615 640738660 /nfs/dbraw/zinc/73/86/60/640738660.db2.gz KJNQZCYFJALWHB-UHFFFAOYSA-N 1 1 299.345 3.175 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C2CCC(F)CC2)C1 ZINC001008429727 640950472 /nfs/dbraw/zinc/95/04/72/640950472.db2.gz RGBHMXKEMSQUQF-UYSNPLJNSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2csc(Cl)c2)C1 ZINC001008746797 640953912 /nfs/dbraw/zinc/95/39/12/640953912.db2.gz JPSHKYXGHVMDMJ-GFCCVEGCSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C)c(Cl)c2)C1 ZINC001015644886 640982697 /nfs/dbraw/zinc/98/26/97/640982697.db2.gz YVLOEONUQNHQFQ-AWEZNQCLSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Cl)c(C)c2)C1 ZINC001015652070 640984101 /nfs/dbraw/zinc/98/41/01/640984101.db2.gz UPRGJHJIYONQSX-CQSZACIVSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)c2ccsc2)C1 ZINC001015691144 640984238 /nfs/dbraw/zinc/98/42/38/640984238.db2.gz YVDAFNPDWQZQEV-DZGCQCFKSA-N 1 1 292.448 3.008 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001015834933 640987113 /nfs/dbraw/zinc/98/71/13/640987113.db2.gz NRTLAGNHJPNHII-GOSISDBHSA-N 1 1 296.414 3.026 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)c2ccccc2C2CCC2)C1 ZINC001016133982 640992121 /nfs/dbraw/zinc/99/21/21/640992121.db2.gz UMNUCSRHFLYRQD-INIZCTEOSA-N 1 1 298.430 3.334 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@H](C[N@@H+](C)CC2CCC2)C1 ZINC001017179799 641008414 /nfs/dbraw/zinc/00/84/14/641008414.db2.gz OVJVFBIYIUJAQX-MRXNPFEDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[C@@H](C[N@H+](C)C(C)C)C2)CC1 ZINC001017200820 641009905 /nfs/dbraw/zinc/00/99/05/641009905.db2.gz SSCKQEOTSNDWAE-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[C@@H]1C ZINC001017578928 641013858 /nfs/dbraw/zinc/01/38/58/641013858.db2.gz XTRLVJSJBPEUIZ-LUKYLMHMSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]1CCC ZINC001017691002 641014717 /nfs/dbraw/zinc/01/47/17/641014717.db2.gz SGEIWIPWJQGUTB-MWDXBVQZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]1CCC ZINC001017691002 641014720 /nfs/dbraw/zinc/01/47/20/641014720.db2.gz SGEIWIPWJQGUTB-MWDXBVQZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC1(C)C ZINC001017821980 641017915 /nfs/dbraw/zinc/01/79/15/641017915.db2.gz ONFWSQFAKCINKV-OWCLPIDISA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1ccccc1 ZINC001018185204 641020675 /nfs/dbraw/zinc/02/06/75/641020675.db2.gz IILUFNAVSKOIJC-RYQLBKOJSA-N 1 1 298.430 3.041 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1ccccc1 ZINC001018185204 641020679 /nfs/dbraw/zinc/02/06/79/641020679.db2.gz IILUFNAVSKOIJC-RYQLBKOJSA-N 1 1 298.430 3.041 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1cc(C)cc(F)c1 ZINC001155412410 805580345 /nfs/dbraw/zinc/58/03/45/805580345.db2.gz ASAVAWIPCCJUJT-CQSZACIVSA-N 1 1 292.398 3.150 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)CCCC(F)(F)F ZINC001155412709 805580484 /nfs/dbraw/zinc/58/04/84/805580484.db2.gz NKFUGUJLHKCCEW-GFCCVEGCSA-N 1 1 294.361 3.122 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)c1csc(C)c1 ZINC001155834302 805615522 /nfs/dbraw/zinc/61/55/22/805615522.db2.gz RHHIOHRSBHQIJO-CYBMUJFWSA-N 1 1 294.464 3.463 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)C(CC)(CC)CC ZINC001156030791 805643070 /nfs/dbraw/zinc/64/30/70/805643070.db2.gz BXORTXHABKAKFA-CQSZACIVSA-N 1 1 268.445 3.215 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)CC(CC)CC ZINC001156031588 805643619 /nfs/dbraw/zinc/64/36/19/805643619.db2.gz YFTGOZSJVOZDRH-CQSZACIVSA-N 1 1 268.445 3.215 20 30 CGEDMO Cc1[nH+]c(NCCSCc2ccco2)ccc1CC#N ZINC001156191001 805664371 /nfs/dbraw/zinc/66/43/71/805664371.db2.gz JFSVPPQBADUCAW-UHFFFAOYSA-N 1 1 287.388 3.394 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)CC(C)C ZINC001156253747 805668660 /nfs/dbraw/zinc/66/86/60/805668660.db2.gz IJAZZIPEJVHEMW-CVEARBPZSA-N 1 1 282.472 3.461 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)C(C)(C)C ZINC001156606398 805718729 /nfs/dbraw/zinc/71/87/29/805718729.db2.gz IGWSESZQJYUCKS-HUUCEWRRSA-N 1 1 282.472 3.461 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)CCCCC ZINC001157041160 805767821 /nfs/dbraw/zinc/76/78/21/805767821.db2.gz GIXIAEKNXPNIAE-MRXNPFEDSA-N 1 1 294.483 3.443 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)CCSCC ZINC001157613873 805842550 /nfs/dbraw/zinc/84/25/50/805842550.db2.gz ADCYSSQIEAUMEL-OAHLLOKOSA-N 1 1 298.496 3.019 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@@H]1C[N@H+](C)CCCCC ZINC001157661957 805847391 /nfs/dbraw/zinc/84/73/91/805847391.db2.gz QXUYDKCXZULRLC-MRXNPFEDSA-N 1 1 280.456 3.456 20 30 CGEDMO CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H](C)CCC ZINC001157674563 805850416 /nfs/dbraw/zinc/85/04/16/805850416.db2.gz HKJCJWAQXPMKJF-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H](C)C(C)C ZINC001157668861 805850203 /nfs/dbraw/zinc/85/02/03/805850203.db2.gz OEXVZBHBAWWJKT-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC1(C)C ZINC001157818459 805877144 /nfs/dbraw/zinc/87/71/44/805877144.db2.gz LVMLRKMTGLWMAL-ZIAGYGMSSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC1(C)C ZINC001157818459 805877154 /nfs/dbraw/zinc/87/71/54/805877154.db2.gz LVMLRKMTGLWMAL-ZIAGYGMSSA-N 1 1 298.858 3.098 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@H](C)SC ZINC001157827876 805878690 /nfs/dbraw/zinc/87/86/90/805878690.db2.gz RMYVEZWCVXPQDD-LSDHHAIUSA-N 1 1 298.496 3.017 20 30 CGEDMO CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)C=C(CC)CC ZINC001157827740 805879185 /nfs/dbraw/zinc/87/91/85/805879185.db2.gz KIJBQVLLNDKEEC-QGZVFWFLSA-N 1 1 290.451 3.069 20 30 CGEDMO Cc1ccc(CC#N)c(N[C@@H]2CCCc3cccnc32)[nH+]1 ZINC001157847820 805886824 /nfs/dbraw/zinc/88/68/24/805886824.db2.gz QWLCXBPOSYPNPR-OAHLLOKOSA-N 1 1 278.359 3.341 20 30 CGEDMO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)C[C@H](F)CC ZINC001158018669 805915685 /nfs/dbraw/zinc/91/56/85/805915685.db2.gz GMDFKXUVBZGKQA-HZPDHXFCSA-N 1 1 298.446 3.404 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)C1CCC1 ZINC001158117750 805922726 /nfs/dbraw/zinc/92/27/26/805922726.db2.gz FHJAXLPXYARDBK-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCC[N@H+](C)C[C@@H](O)COc1ccccc1C ZINC001251701894 805920982 /nfs/dbraw/zinc/92/09/82/805920982.db2.gz ZWRKBSGKEXEKCV-MRXNPFEDSA-N 1 1 277.408 3.023 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](F)CC ZINC001158329075 805938486 /nfs/dbraw/zinc/93/84/86/805938486.db2.gz ISUCDQVTHGIFNZ-CABCVRRESA-N 1 1 284.419 3.014 20 30 CGEDMO C=CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)CCC ZINC001158426557 805953467 /nfs/dbraw/zinc/95/34/67/805953467.db2.gz NLKSFXKELWFYRO-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CCC1(C)CC1 ZINC001158689799 805987128 /nfs/dbraw/zinc/98/71/28/805987128.db2.gz UBOCWKWEYQGNJT-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@H](OC)C1 ZINC001252121012 806007113 /nfs/dbraw/zinc/00/71/13/806007113.db2.gz BAYXWCSBFCMPEU-CVEARBPZSA-N 1 1 271.445 3.209 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCCO[C@@H](C)C1 ZINC001252121951 806009156 /nfs/dbraw/zinc/00/91/56/806009156.db2.gz NNWCURUVMSFFOW-JKSUJKDBSA-N 1 1 271.445 3.209 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC001252123852 806010269 /nfs/dbraw/zinc/01/02/69/806010269.db2.gz MIOUMGHCDBMGQQ-IXDOHACOSA-N 1 1 283.456 3.066 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@H](C)[C@@H]1CO ZINC001252123328 806011951 /nfs/dbraw/zinc/01/19/51/806011951.db2.gz GCBVJKSTEJCZOD-ULQDDVLXSA-N 1 1 285.472 3.191 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1C[C@H]2CCCN(C)[C@H]2C1 ZINC001252132303 806017241 /nfs/dbraw/zinc/01/72/41/806017241.db2.gz FBWDZAQGBSEGCZ-SQNIBIBYSA-N 1 1 296.499 3.124 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CC[C@H](N(C)C2CC2)C1 ZINC001252132186 806017929 /nfs/dbraw/zinc/01/79/29/806017929.db2.gz BLCXOTMFZGWDGB-ROUUACIJSA-N 1 1 296.499 3.266 20 30 CGEDMO CCCCCCCC[C@H](O)CN1CC[C@H]([N@H+](C)C2CC2)C1 ZINC001252132186 806017938 /nfs/dbraw/zinc/01/79/38/806017938.db2.gz BLCXOTMFZGWDGB-ROUUACIJSA-N 1 1 296.499 3.266 20 30 CGEDMO CCCCCCCC[C@H](O)CN1CC[C@H]([N@@H+](C)C2CC2)C1 ZINC001252132186 806017947 /nfs/dbraw/zinc/01/79/47/806017947.db2.gz BLCXOTMFZGWDGB-ROUUACIJSA-N 1 1 296.499 3.266 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+]1C[C@@H]2C(=O)CCC[C@@H]2C1 ZINC001252133450 806020235 /nfs/dbraw/zinc/02/02/35/806020235.db2.gz OTAXNJAFPGCHTA-IKGGRYGDSA-N 1 1 295.467 3.399 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1C[C@@H]2CCCC(=O)[C@H]2C1 ZINC001252133452 806021349 /nfs/dbraw/zinc/02/13/49/806021349.db2.gz OTAXNJAFPGCHTA-ULQDDVLXSA-N 1 1 295.467 3.399 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)C2CCCCC2)CC1 ZINC001159118456 806044888 /nfs/dbraw/zinc/04/48/88/806044888.db2.gz VNLNZAMWBIVBQH-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CCOC[C@@H](O)C[N@H+](C(C)C)[C@@H](C)c1ccccc1 ZINC001252472129 806048710 /nfs/dbraw/zinc/04/87/10/806048710.db2.gz OEFIBZWEMNZIHM-RDJZCZTQSA-N 1 1 277.408 3.022 20 30 CGEDMO C=CCOC[C@@H](O)C[N@@H+]1CCC[C@H]1c1cc(C)cc(C)c1 ZINC001252472919 806048987 /nfs/dbraw/zinc/04/89/87/806048987.db2.gz COHIARCZJXEMLH-ROUUACIJSA-N 1 1 289.419 3.004 20 30 CGEDMO C=C[C@](C)(O)C[N@@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC001252554636 806062070 /nfs/dbraw/zinc/06/20/70/806062070.db2.gz IYNBWYDOVKKMNL-INIZCTEOSA-N 1 1 290.794 3.116 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC001252554636 806062077 /nfs/dbraw/zinc/06/20/77/806062077.db2.gz IYNBWYDOVKKMNL-INIZCTEOSA-N 1 1 290.794 3.116 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1CCC[C@@H]1c1cc(F)ccc1F ZINC001252555676 806064353 /nfs/dbraw/zinc/06/43/53/806064353.db2.gz ZXOZXGMTDFDBTF-CABCVRRESA-N 1 1 267.319 3.039 20 30 CGEDMO C=C[C@@](C)(O)C[N@@H+]1CCC[C@H]1c1cc(C)cc(C)c1 ZINC001252558180 806065068 /nfs/dbraw/zinc/06/50/68/806065068.db2.gz REYQKPDFRPOGOI-DLBZAZTESA-N 1 1 259.393 3.377 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+](C)[C@@H](C)c1ccc(Br)cc1 ZINC001252559916 806065362 /nfs/dbraw/zinc/06/53/62/806065362.db2.gz CFJDDSGMUFOVFU-SMDDNHRTSA-N 1 1 298.224 3.379 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001252560434 806065559 /nfs/dbraw/zinc/06/55/59/806065559.db2.gz RWFPVCLGUPBVIK-SMDDNHRTSA-N 1 1 253.773 3.270 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)C(CC)CC)CC1 ZINC001159332821 806083348 /nfs/dbraw/zinc/08/33/48/806083348.db2.gz PWYAADBEXUPSFK-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCCC(=O)NCCC1=CC[N@@H+]([C@H](C)CCC=C)CC1 ZINC001159544487 806119323 /nfs/dbraw/zinc/11/93/23/806119323.db2.gz QDYFJOIXSOGRPL-MRXNPFEDSA-N 1 1 290.451 3.446 20 30 CGEDMO C=CCCC(=O)NCCC1=CC[N@@H+]([C@@H](C)CCC=C)CC1 ZINC001159544480 806119761 /nfs/dbraw/zinc/11/97/61/806119761.db2.gz QDYFJOIXSOGRPL-INIZCTEOSA-N 1 1 290.451 3.446 20 30 CGEDMO C=CCCCCCC[C@H](O)C[NH+]1CCN(C2CCC2)CC1 ZINC001253226972 806184148 /nfs/dbraw/zinc/18/41/48/806184148.db2.gz DFDQCYLWAZNQPS-SFHVURJKSA-N 1 1 294.483 3.044 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@](C)(O)CC1 ZINC001253228815 806186032 /nfs/dbraw/zinc/18/60/32/806186032.db2.gz XHTGMDRWRBTUEV-SJORKVTESA-N 1 1 283.456 3.111 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@](C)(O)CC1 ZINC001253228814 806186120 /nfs/dbraw/zinc/18/61/20/806186120.db2.gz XHTGMDRWRBTUEV-IRXDYDNUSA-N 1 1 283.456 3.111 20 30 CGEDMO C=CCCCCCC[C@@H](O)CNc1[nH+]cccc1N(C)C ZINC001253233484 806187392 /nfs/dbraw/zinc/18/73/92/806187392.db2.gz GFBJYHXMNAFOFO-OAHLLOKOSA-N 1 1 291.439 3.447 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCCC(=O)[C@H](C)C1 ZINC001253233861 806188113 /nfs/dbraw/zinc/18/81/13/806188113.db2.gz PHIBCUXKLJAPHZ-CVEARBPZSA-N 1 1 281.440 3.175 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCc2cccnc2C1 ZINC001253240986 806191684 /nfs/dbraw/zinc/19/16/84/806191684.db2.gz QCHXQKNKNQBLLR-QGZVFWFLSA-N 1 1 288.435 3.327 20 30 CGEDMO C=CCCCCCC[C@H](O)C[NH2+]Cc1nccc(Cl)n1 ZINC001253251507 806196900 /nfs/dbraw/zinc/19/69/00/806196900.db2.gz LTSMDGZBNXDSPW-ZDUSSCGKSA-N 1 1 297.830 3.107 20 30 CGEDMO Cc1ccc(CC#N)c(NC(C)(C)c2ccncc2)[nH+]1 ZINC001160311829 806255416 /nfs/dbraw/zinc/25/54/16/806255416.db2.gz CAADXXHXCHNBCW-UHFFFAOYSA-N 1 1 266.348 3.198 20 30 CGEDMO C=C[C@H](O)C[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC001253579186 806264196 /nfs/dbraw/zinc/26/41/96/806264196.db2.gz NLXABFVAYLCYAF-FZMZJTMJSA-N 1 1 251.757 3.024 20 30 CGEDMO C=C[C@H](O)CNc1ccccc1C[N@H+](C)C1CCCCC1 ZINC001253593695 806267934 /nfs/dbraw/zinc/26/79/34/806267934.db2.gz OZEARHZLUFJLHC-KRWDZBQOSA-N 1 1 288.435 3.410 20 30 CGEDMO C#CCOCC[N@H+](C)[C@H](CC)c1ccc(Cl)cc1 ZINC001253749721 806296614 /nfs/dbraw/zinc/29/66/14/806296614.db2.gz LGFIXFXYQSYDBQ-OAHLLOKOSA-N 1 1 265.784 3.373 20 30 CGEDMO C=C[C@H](C)[C@H](C)C(=O)NCCC1=CC[N@@H+](CCCC)CC1 ZINC001160942399 806326643 /nfs/dbraw/zinc/32/66/43/806326643.db2.gz YNOUPLBCVJAVLI-HOTGVXAUSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H](C)[C@H](C)C=C)CC1 ZINC001160942510 806326821 /nfs/dbraw/zinc/32/68/21/806326821.db2.gz ZOBYJHPLUXMHDC-HZPDHXFCSA-N 1 1 290.451 3.159 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1CNc1nccc2ccccc21 ZINC001160952884 806327242 /nfs/dbraw/zinc/32/72/42/806327242.db2.gz GTXOCPVCLJQKRV-HNNXBMFYSA-N 1 1 267.376 3.297 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1CNc1cc(C#N)c2ccccc2n1 ZINC001160957814 806328231 /nfs/dbraw/zinc/32/82/31/806328231.db2.gz VGKYMMZMBJHOAS-HNNXBMFYSA-N 1 1 292.386 3.169 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1nccc2oc(CC)cc21 ZINC001160957950 806329379 /nfs/dbraw/zinc/32/93/79/806329379.db2.gz YGHGFTAOPPQQMW-ZDUSSCGKSA-N 1 1 285.391 3.453 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CCNC(=O)C[C@H]2C[C@H]2C)CC1 ZINC001161111958 806351468 /nfs/dbraw/zinc/35/14/68/806351468.db2.gz BYSXIBONGSNTSZ-NVXWUHKLSA-N 1 1 290.451 3.137 20 30 CGEDMO CC[N@H+](CCC#N)[C@@H]1Cc2ccc(Br)cc2C1 ZINC001254280232 806378570 /nfs/dbraw/zinc/37/85/70/806378570.db2.gz HDYWFYUWCADEAZ-CQSZACIVSA-N 1 1 293.208 3.152 20 30 CGEDMO CC[N@@H+](CCC#N)[C@@H]1Cc2ccc(Br)cc2C1 ZINC001254280232 806378578 /nfs/dbraw/zinc/37/85/78/806378578.db2.gz HDYWFYUWCADEAZ-CQSZACIVSA-N 1 1 293.208 3.152 20 30 CGEDMO COCC[N@@H+](C)C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254353352 806382765 /nfs/dbraw/zinc/38/27/65/806382765.db2.gz ZYWGTRNRROCNRV-UHFFFAOYSA-N 1 1 290.382 3.108 20 30 CGEDMO C=CCOC(=O)N[C@@H]1CCC[N@H+](C2CCC3(CC3)CC2)C1 ZINC001254449551 806404062 /nfs/dbraw/zinc/40/40/62/806404062.db2.gz VXADMWGTZKOYJH-CQSZACIVSA-N 1 1 292.423 3.086 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+]([C@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC001254556464 806449233 /nfs/dbraw/zinc/44/92/33/806449233.db2.gz KUAUZGMIGASBDO-OLZOCXBDSA-N 1 1 278.396 3.310 20 30 CGEDMO C=CCO[C@H]1CC[N@H+]([C@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC001254556464 806449238 /nfs/dbraw/zinc/44/92/38/806449238.db2.gz KUAUZGMIGASBDO-OLZOCXBDSA-N 1 1 278.396 3.310 20 30 CGEDMO C=CCO[C@H]1CC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC001254557026 806449511 /nfs/dbraw/zinc/44/95/11/806449511.db2.gz OTXRUBHUZRHQPE-DOTOQJQBSA-N 1 1 257.377 3.341 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@@H+]2CCc3c4ccccc4oc3C2)C1 ZINC001254673676 806483699 /nfs/dbraw/zinc/48/36/99/806483699.db2.gz MYWUJDNRJTZEMW-OLZOCXBDSA-N 1 1 266.344 3.483 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCc3c4ccccc4oc3C2)C1 ZINC001254673676 806483703 /nfs/dbraw/zinc/48/37/03/806483703.db2.gz MYWUJDNRJTZEMW-OLZOCXBDSA-N 1 1 266.344 3.483 20 30 CGEDMO N#C[C@@H]1CCCN1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255137820 806552359 /nfs/dbraw/zinc/55/23/59/806552359.db2.gz YDJMOXHQUMWMJT-RDGPPVDQSA-N 1 1 295.430 3.170 20 30 CGEDMO CC[C@@H](CC#N)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255130215 806550529 /nfs/dbraw/zinc/55/05/29/806550529.db2.gz RZNDTNBTNLKFRV-OKYOBFRVSA-N 1 1 297.446 3.464 20 30 CGEDMO CC[C@@H](CC#N)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001255164871 806563411 /nfs/dbraw/zinc/56/34/11/806563411.db2.gz PNAHWMQRKRGCHE-RYRKJORJSA-N 1 1 285.435 3.273 20 30 CGEDMO CC[C@H](CC#N)[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC001255172504 806564982 /nfs/dbraw/zinc/56/49/82/806564982.db2.gz PGIIUZRRMOVHMY-GDBMZVCRSA-N 1 1 258.365 3.222 20 30 CGEDMO CC[C@H](CC#N)[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC001255172504 806564989 /nfs/dbraw/zinc/56/49/89/806564989.db2.gz PGIIUZRRMOVHMY-GDBMZVCRSA-N 1 1 258.365 3.222 20 30 CGEDMO CC[C@H](CC#N)[N@@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001255174015 806566507 /nfs/dbraw/zinc/56/65/07/806566507.db2.gz HAWMNGGCOCWXTH-NVXWUHKLSA-N 1 1 283.375 3.094 20 30 CGEDMO CC[C@H](CC#N)[N@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001255174015 806566514 /nfs/dbraw/zinc/56/65/14/806566514.db2.gz HAWMNGGCOCWXTH-NVXWUHKLSA-N 1 1 283.375 3.094 20 30 CGEDMO CC[C@H](CC#N)[N@H+](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001255179564 806571798 /nfs/dbraw/zinc/57/17/98/806571798.db2.gz QKQVSTIHOLSDJC-KGLIPLIRSA-N 1 1 295.427 3.010 20 30 CGEDMO CC[C@H](CC#N)[N@@H+](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001255179564 806571805 /nfs/dbraw/zinc/57/18/05/806571805.db2.gz QKQVSTIHOLSDJC-KGLIPLIRSA-N 1 1 295.427 3.010 20 30 CGEDMO C#CC(C)(C)[NH2+][C@H]1CCCN(Cc2ccccc2)CC1 ZINC001255383091 806631332 /nfs/dbraw/zinc/63/13/32/806631332.db2.gz ZSFZOGXGJJOXNM-KRWDZBQOSA-N 1 1 270.420 3.043 20 30 CGEDMO Oc1ccccc1/C=N/CCC[N@H+]1CCc2ccccc2C1 ZINC000031854411 798847850 /nfs/dbraw/zinc/84/78/50/798847850.db2.gz FSMBSEDZCWOXRK-XSFVSMFZSA-N 1 1 294.398 3.260 20 30 CGEDMO C=CCOc1ccccc1CNC[C@H](C)[NH+]1CCCCC1 ZINC000038028972 798884665 /nfs/dbraw/zinc/88/46/65/798884665.db2.gz NHDIUTBSGAAXNN-INIZCTEOSA-N 1 1 288.435 3.215 20 30 CGEDMO C#C[C@H](C)Nc1ccc([C@H]2CCCC[N@@H+]2CCC)cn1 ZINC001163161277 806709997 /nfs/dbraw/zinc/70/99/97/806709997.db2.gz FEGVPBBXKHVNEX-GOEBONIOSA-N 1 1 271.408 3.452 20 30 CGEDMO N#Cc1c[nH]c2cc[nH+]c(N[C@H]3CCCc4ccncc43)c12 ZINC001163168505 806712339 /nfs/dbraw/zinc/71/23/39/806712339.db2.gz YLJSYAGUXYIOEI-AWEZNQCLSA-N 1 1 289.342 3.319 20 30 CGEDMO Cc1[nH+]ccn1CCNc1ccc(C(F)(F)F)cc1C#N ZINC000158353194 799070405 /nfs/dbraw/zinc/07/04/05/799070405.db2.gz GXMIIUFDUJBEHL-UHFFFAOYSA-N 1 1 294.280 3.194 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](Nc2nccc(Cl)c2C#N)[C@H](C)C1 ZINC001163360092 806746437 /nfs/dbraw/zinc/74/64/37/806746437.db2.gz BOXAFRLYQQWVBH-RISCZKNCSA-N 1 1 292.814 3.137 20 30 CGEDMO C#C[C@](C)(CC)[NH2+]Cc1cscc1Br ZINC000384171485 799412572 /nfs/dbraw/zinc/41/25/72/799412572.db2.gz MYEUVTBUAGLBPH-LLVKDONJSA-N 1 1 272.211 3.402 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000385466473 799426267 /nfs/dbraw/zinc/42/62/67/799426267.db2.gz DKKWWRYANHOPNX-VXGBXAGGSA-N 1 1 266.772 3.261 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc(CC#N)cc1 ZINC000399178099 799535486 /nfs/dbraw/zinc/53/54/86/799535486.db2.gz KPLGVIJNTFMGQZ-UHFFFAOYSA-N 1 1 255.365 3.124 20 30 CGEDMO CC1(C)CCC[N@@H+](C[C@H](O)c2cccc(C#N)c2)CC1 ZINC000402209111 799561248 /nfs/dbraw/zinc/56/12/48/799561248.db2.gz LUVZNOMZXJGOBA-INIZCTEOSA-N 1 1 272.392 3.104 20 30 CGEDMO N#Cc1cccc2c1C[N@H+](CCc1cccs1)C2 ZINC000405172179 799582620 /nfs/dbraw/zinc/58/26/20/799582620.db2.gz WAVCQQGVGBQITH-UHFFFAOYSA-N 1 1 254.358 3.178 20 30 CGEDMO N#Cc1cccc2c1C[N@@H+](CCc1cccs1)C2 ZINC000405172179 799582621 /nfs/dbraw/zinc/58/26/21/799582621.db2.gz WAVCQQGVGBQITH-UHFFFAOYSA-N 1 1 254.358 3.178 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC1(C#N)CCC1 ZINC000450750394 799625488 /nfs/dbraw/zinc/62/54/88/799625488.db2.gz AUYZGCAGEAYKFE-FUHWJXTLSA-N 1 1 297.446 3.180 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@@H]1CN1CCCC(C)(C)[C@@H]1C#N ZINC000450853831 799625697 /nfs/dbraw/zinc/62/56/97/799625697.db2.gz CESPECZBPAMWKL-CVEARBPZSA-N 1 1 277.456 3.263 20 30 CGEDMO C=CC[C@H]([NH2+]C[C@H]1C(C)=CCC[C@@H]1C)C(=O)OCC ZINC001255854491 806770260 /nfs/dbraw/zinc/77/02/60/806770260.db2.gz SKOOVAPFDKURKK-KKUMJFAQSA-N 1 1 265.397 3.076 20 30 CGEDMO Cc1cc(F)c(C#N)c(NC[C@@H]2CCCC[N@H+](C)C2)c1 ZINC001163734571 806811481 /nfs/dbraw/zinc/81/14/81/806811481.db2.gz ZWWYPVVPDCBIFA-ZDUSSCGKSA-N 1 1 275.371 3.150 20 30 CGEDMO C=C[C@@H]([NH2+]C1CCN(C2CC2)CC1)c1ccccc1 ZINC001256073791 806813535 /nfs/dbraw/zinc/81/35/35/806813535.db2.gz DOXKODZTQFOTBG-QGZVFWFLSA-N 1 1 256.393 3.130 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)c1 ZINC000721559306 800293959 /nfs/dbraw/zinc/29/39/59/800293959.db2.gz LTPSCBBSWQCLQB-JKSUJKDBSA-N 1 1 255.365 3.108 20 30 CGEDMO N#Cc1c[nH]c2cc[nH+]c(N3CC[C@@H](F)C(F)(F)CC3)c12 ZINC001163784325 806826477 /nfs/dbraw/zinc/82/64/77/806826477.db2.gz LCOXVKLDLGXUBP-LLVKDONJSA-N 1 1 294.280 3.008 20 30 CGEDMO C#CCCc1noc([C@H](c2ccccc2)[NH+](CC)CC)n1 ZINC000809396667 800435192 /nfs/dbraw/zinc/43/51/92/800435192.db2.gz CZZIDLMQWXJQTE-INIZCTEOSA-N 1 1 283.375 3.067 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C)no2)cc1 ZINC000809548719 800445396 /nfs/dbraw/zinc/44/53/96/800445396.db2.gz IHONYDOIQHGBPA-INIZCTEOSA-N 1 1 266.344 3.301 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCc2cccc(Br)c2C1 ZINC001256139438 806832196 /nfs/dbraw/zinc/83/21/96/806832196.db2.gz YWAICSAWDXXSFF-GFCCVEGCSA-N 1 1 280.209 3.424 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886829852 800546457 /nfs/dbraw/zinc/54/64/57/800546457.db2.gz IASKEFDLQDLIHK-XYPHTWIQSA-N 1 1 270.376 3.120 20 30 CGEDMO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cccc(OC)n1 ZINC000924981805 800627661 /nfs/dbraw/zinc/62/76/61/800627661.db2.gz XNOPRBHEBROGOI-OAHLLOKOSA-N 1 1 299.349 3.342 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](C[C@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000930923033 800651859 /nfs/dbraw/zinc/65/18/59/800651859.db2.gz FWQZVNYPPZQTAE-XQQFMLRXSA-N 1 1 290.329 3.112 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000934459906 800678268 /nfs/dbraw/zinc/67/82/68/800678268.db2.gz IDLNBHHZQJVYOC-CQSZACIVSA-N 1 1 299.330 3.400 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000934459906 800678272 /nfs/dbraw/zinc/67/82/72/800678272.db2.gz IDLNBHHZQJVYOC-CQSZACIVSA-N 1 1 299.330 3.400 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001023544426 800712172 /nfs/dbraw/zinc/71/21/72/800712172.db2.gz HQDNNSFNZXSNOC-HOTGVXAUSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)C2CCC=CCC2)C1 ZINC001023752585 800714740 /nfs/dbraw/zinc/71/47/40/800714740.db2.gz XTRAJLOMYLPBAV-INIZCTEOSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)c1coc(C)c1 ZINC001024409408 800725810 /nfs/dbraw/zinc/72/58/10/800725810.db2.gz QHINLIOKZFSAEQ-MRXNPFEDSA-N 1 1 290.407 3.139 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001024455206 800728715 /nfs/dbraw/zinc/72/87/15/800728715.db2.gz KVRIFOYBHNPDFG-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001024438571 800728730 /nfs/dbraw/zinc/72/87/30/800728730.db2.gz RIBSLBVGEASVBP-HZPDHXFCSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC001024607720 800731845 /nfs/dbraw/zinc/73/18/45/800731845.db2.gz HVFGCUAAOVWBKP-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C)cc1C ZINC001024787786 800736765 /nfs/dbraw/zinc/73/67/65/800736765.db2.gz BIDQZNYOBSWZAP-INIZCTEOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CCCCCC2)C1 ZINC001025362481 800759328 /nfs/dbraw/zinc/75/93/28/800759328.db2.gz XKYKOJSJGSWBAO-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(Cl)o2)C1 ZINC001027300403 800790182 /nfs/dbraw/zinc/79/01/82/800790182.db2.gz RDAWIJCERSAMFG-LBPRGKRZSA-N 1 1 296.798 3.046 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C=C2CCCCC2)C1 ZINC001027323344 800792122 /nfs/dbraw/zinc/79/21/22/800792122.db2.gz ONIAUMFCEFHPJI-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)C2(C3CCC3)CCC2)C1 ZINC001027509825 800799451 /nfs/dbraw/zinc/79/94/51/800799451.db2.gz IQFWJQKDURJBAQ-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2cc(Cl)cs2)C1 ZINC001027602951 800805890 /nfs/dbraw/zinc/80/58/90/800805890.db2.gz GTLPXBGQWMRJHG-LBPRGKRZSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(C)c(C)c2)C1 ZINC001027667267 800808439 /nfs/dbraw/zinc/80/84/39/800808439.db2.gz BDVXOQBZCHSRNN-KRWDZBQOSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@@H](C)C2CC2)C1 ZINC001027694781 800811968 /nfs/dbraw/zinc/81/19/68/800811968.db2.gz BXXSUZSNUGWVSL-IUODEOHRSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)C[C@@H](C)C2CC2)C1 ZINC001027694781 800811976 /nfs/dbraw/zinc/81/19/76/800811976.db2.gz BXXSUZSNUGWVSL-IUODEOHRSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)C1CCCCCC1 ZINC001027778621 800819232 /nfs/dbraw/zinc/81/92/32/800819232.db2.gz QWUCVPXYZOADRU-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001027882463 800823451 /nfs/dbraw/zinc/82/34/51/800823451.db2.gz OTBQKAPDTMIINW-HZPDHXFCSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CCCC)CC1 ZINC001028118043 800831192 /nfs/dbraw/zinc/83/11/92/800831192.db2.gz VUQIRUPDLKJVMK-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C(F)F)cc1 ZINC001028202801 800834859 /nfs/dbraw/zinc/83/48/59/800834859.db2.gz IFUKOSLZHCYWJK-AWEZNQCLSA-N 1 1 294.345 3.004 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC001028299103 800841049 /nfs/dbraw/zinc/84/10/49/800841049.db2.gz ZNBLSZJLNZSTGN-KRWDZBQOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)CC1CCCC1 ZINC001032661061 800932294 /nfs/dbraw/zinc/93/22/94/800932294.db2.gz PIMIPSMEIYKQPY-IKGGRYGDSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)CC1CCCC1 ZINC001032661061 800932297 /nfs/dbraw/zinc/93/22/97/800932297.db2.gz PIMIPSMEIYKQPY-IKGGRYGDSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)C2C(C)(C)C2(C)C)C1 ZINC001032986526 800946974 /nfs/dbraw/zinc/94/69/74/800946974.db2.gz IJYSIYGWZQQZQI-CQSZACIVSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2c(C)coc2C)C1 ZINC001033047844 800950929 /nfs/dbraw/zinc/95/09/29/800950929.db2.gz KCELXIFYIVUUJI-HNNXBMFYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2csc(C)c2C)C1 ZINC001033108911 800954111 /nfs/dbraw/zinc/95/41/11/800954111.db2.gz VRWOPTDSUUUFDP-CQSZACIVSA-N 1 1 292.448 3.087 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC=CCC2)C1 ZINC001033329602 800958685 /nfs/dbraw/zinc/95/86/85/800958685.db2.gz RLYJTAMFMZDDLD-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)CC2CC(C)(C)C2)C1 ZINC001033356409 800960332 /nfs/dbraw/zinc/96/03/32/800960332.db2.gz VIYUVNRQUSVXIK-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(C(C)C)c2)C1 ZINC001033560058 800968386 /nfs/dbraw/zinc/96/83/86/800968386.db2.gz WNLKWDIKDIZFKC-KRWDZBQOSA-N 1 1 286.419 3.142 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001033601213 800969402 /nfs/dbraw/zinc/96/94/02/800969402.db2.gz LMRGTFIYYBXGBS-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc3ccccc32)C1 ZINC001033627503 800971748 /nfs/dbraw/zinc/97/17/48/800971748.db2.gz FQGDKYKROFQFFI-MRXNPFEDSA-N 1 1 294.398 3.172 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Cl)s2)C1 ZINC001033636993 800972207 /nfs/dbraw/zinc/97/22/07/800972207.db2.gz IGRRRNXQPQCPLM-NSHDSACASA-N 1 1 298.839 3.124 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)C23CCC(CC2)CC3)C1 ZINC001033675715 800973947 /nfs/dbraw/zinc/97/39/47/800973947.db2.gz LCDQXQJSJBJVRV-PQUAAJSLSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001033706847 800976199 /nfs/dbraw/zinc/97/61/99/800976199.db2.gz JCLDCKMQDNSZHX-CQSZACIVSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001033928163 800989471 /nfs/dbraw/zinc/98/94/71/800989471.db2.gz WGMDUKWNECQZRY-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2sccc2CC)C1 ZINC001034048235 800995974 /nfs/dbraw/zinc/99/59/74/800995974.db2.gz NJPJTEJFLZJBIU-AWEZNQCLSA-N 1 1 292.448 3.033 20 30 CGEDMO C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@H](C)CCC(C)C)C1 ZINC001256374577 806877342 /nfs/dbraw/zinc/87/73/42/806877342.db2.gz MDDYNOWTEYWAGX-HUUCEWRRSA-N 1 1 282.428 3.188 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC2(C)C)C1 ZINC001034350744 801019498 /nfs/dbraw/zinc/01/94/98/801019498.db2.gz JTRICSWJBKKMEY-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)C2CC2)C1 ZINC001034356281 801020175 /nfs/dbraw/zinc/02/01/75/801020175.db2.gz RIOZEWRHZZLHIZ-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H](C)c2cccs2)C1 ZINC001034389930 801025450 /nfs/dbraw/zinc/02/54/50/801025450.db2.gz AHJRLCSUMNBDSK-KBPBESRZSA-N 1 1 292.448 3.008 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccsc2Cl)C1 ZINC001034432683 801026877 /nfs/dbraw/zinc/02/68/77/801026877.db2.gz YMTQZOQZNLZZJH-LLVKDONJSA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)c1ccccc1)CC2 ZINC001035150192 801052751 /nfs/dbraw/zinc/05/27/51/801052751.db2.gz QVIXUIGDOYHALZ-UHFFFAOYSA-N 1 1 298.430 3.191 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3)CC[C@@H]21 ZINC001036628011 801084811 /nfs/dbraw/zinc/08/48/11/801084811.db2.gz UJNNLGOIUAEDEA-MSOLQXFVSA-N 1 1 298.430 3.189 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CN(C(=O)CC3CCCC3)CC[C@H]21 ZINC001036633439 801085509 /nfs/dbraw/zinc/08/55/09/801085509.db2.gz CGNZGYIJISZGKV-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C1CCC(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CCC)C2)CC1 ZINC001036811276 801091769 /nfs/dbraw/zinc/09/17/69/801091769.db2.gz OJGGYBUGNHOXPU-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)CC)CC[C@@H]21 ZINC001036804087 801091828 /nfs/dbraw/zinc/09/18/28/801091828.db2.gz DMZCPBXGGTZNOD-KBPBESRZSA-N 1 1 298.858 3.098 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(Cl)c1C ZINC001038288290 801122489 /nfs/dbraw/zinc/12/24/89/801122489.db2.gz LEKPRGQGVOUPOO-CYBMUJFWSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)c1occc1C(C)C ZINC001038626697 801128335 /nfs/dbraw/zinc/12/83/35/801128335.db2.gz GYGUDHLKURLDSN-CQSZACIVSA-N 1 1 290.407 3.173 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C(F)F)cc1 ZINC001038828294 801134959 /nfs/dbraw/zinc/13/49/59/801134959.db2.gz XWISSYXPJHOMBL-CQSZACIVSA-N 1 1 294.345 3.004 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(C)c1C ZINC001038980128 801140513 /nfs/dbraw/zinc/14/05/13/801140513.db2.gz VAMAHZNNBGTFRB-MRXNPFEDSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1oc2ccccc2c1C ZINC001038997665 801142361 /nfs/dbraw/zinc/14/23/61/801142361.db2.gz SDDVHNYPXYZWSY-AWEZNQCLSA-N 1 1 298.386 3.121 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C)C(C)C)CC2)C1 ZINC001039166702 801150728 /nfs/dbraw/zinc/15/07/28/801150728.db2.gz BKIUPOBFAZJICR-DOTOQJQBSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC001039188921 801151501 /nfs/dbraw/zinc/15/15/01/801151501.db2.gz OHKWQHNSIPYWHA-MRXNPFEDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C(C)C)C3)C1 ZINC001040386077 801176427 /nfs/dbraw/zinc/17/64/27/801176427.db2.gz YDNQYNSJXGLKOY-SFHVURJKSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)C3(CC)CC3)C2)C1 ZINC001040377838 801177128 /nfs/dbraw/zinc/17/71/28/801177128.db2.gz ZYKUJMQECCXLLV-KRWDZBQOSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(CC)CC)C2)C1 ZINC001040540642 801177781 /nfs/dbraw/zinc/17/77/81/801177781.db2.gz VRCCTIWSHCQHDX-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)C)C2)C1 ZINC001040502482 801178169 /nfs/dbraw/zinc/17/81/69/801178169.db2.gz NMTVKYIVWUKXST-INIZCTEOSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)C)C2)C1 ZINC001040502482 801178172 /nfs/dbraw/zinc/17/81/72/801178172.db2.gz NMTVKYIVWUKXST-INIZCTEOSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)C3CCCC3)C2)C1 ZINC001040996228 801183298 /nfs/dbraw/zinc/18/32/98/801183298.db2.gz XNRQLMUPAPXBPX-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)CC(C)(C)C)C[C@H]21 ZINC001041927043 801197082 /nfs/dbraw/zinc/19/70/82/801197082.db2.gz GUKUMBCATQXAII-ZIAGYGMSSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC(C)(C)C)C[C@H]21 ZINC001041927043 801197085 /nfs/dbraw/zinc/19/70/85/801197085.db2.gz GUKUMBCATQXAII-ZIAGYGMSSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](CCCC)[C@@H]2C1 ZINC001042183813 801202577 /nfs/dbraw/zinc/20/25/77/801202577.db2.gz MYLDUATUTOONEH-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(CC)CC)C[C@@H]21 ZINC001042364898 801205297 /nfs/dbraw/zinc/20/52/97/801205297.db2.gz GNMYQKXLXBFLIP-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(C)cc3)C[C@H]21 ZINC001042330844 801205516 /nfs/dbraw/zinc/20/55/16/801205516.db2.gz HLPLVYWUEVLMNQ-FUHWJXTLSA-N 1 1 298.430 3.108 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@@H]2CC=CCC2)CC1 ZINC001045362381 801273090 /nfs/dbraw/zinc/27/30/90/801273090.db2.gz QGPMATDOFANEMD-CQSZACIVSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)c2cscc2C)C1 ZINC001046219315 801303618 /nfs/dbraw/zinc/30/36/18/801303618.db2.gz COONBEOUERVZLN-INIZCTEOSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)c2ccoc2Cl)C1 ZINC001046273766 801305656 /nfs/dbraw/zinc/30/56/56/801305656.db2.gz YJQFGOGLUGEYIT-HNNXBMFYSA-N 1 1 296.798 3.093 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001046604001 801316520 /nfs/dbraw/zinc/31/65/20/801316520.db2.gz FWWBGRDLDGNAES-CRAIPNDOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(Cl)cc2)C1 ZINC001046789739 801325415 /nfs/dbraw/zinc/32/54/15/801325415.db2.gz ULRNGBSGXSGHPU-INIZCTEOSA-N 1 1 292.810 3.110 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(C)cc2C)C1 ZINC001046814122 801326568 /nfs/dbraw/zinc/32/65/68/801326568.db2.gz HHGFBHFJMGSJTJ-GOSISDBHSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)c2sccc2CC)C1 ZINC001046852089 801327479 /nfs/dbraw/zinc/32/74/79/801327479.db2.gz LHGGANVQRITUDK-MRXNPFEDSA-N 1 1 292.448 3.081 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCC)C3)CC1 ZINC001047139273 801333436 /nfs/dbraw/zinc/33/34/36/801333436.db2.gz PARBQBANBFBYGQ-XIRDDKMYSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+](C[C@@H](C)CC)C[C@@H]2C1 ZINC001049036609 801356975 /nfs/dbraw/zinc/35/69/75/801356975.db2.gz YHZTZIRVFWECBC-LISAXSMJSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(C)c1 ZINC001049313361 801364991 /nfs/dbraw/zinc/36/49/91/801364991.db2.gz RQNIYWRCLNGOGW-ROUUACIJSA-N 1 1 298.430 3.250 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC1CCCC1 ZINC001049310299 801365799 /nfs/dbraw/zinc/36/57/99/801365799.db2.gz DKGLREAGWSVLQQ-IRXDYDNUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC1(C)C ZINC001049424406 801373427 /nfs/dbraw/zinc/37/34/27/801373427.db2.gz DIRJBUXPARSHKI-BZUAXINKSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC(C)(C)C1 ZINC001049455241 801373627 /nfs/dbraw/zinc/37/36/27/801373627.db2.gz YLFYWDMXDBYJKQ-HOTGVXAUSA-N 1 1 290.451 3.064 20 30 CGEDMO CC[N@@H+](CCC#N)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001256482154 806905770 /nfs/dbraw/zinc/90/57/70/806905770.db2.gz YLVSNIYVSXKXLU-KGLIPLIRSA-N 1 1 295.427 3.010 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)=C1CCC1 ZINC001049466438 801374435 /nfs/dbraw/zinc/37/44/35/801374435.db2.gz FANGOXGVPIUSQD-DLBZAZTESA-N 1 1 288.435 3.128 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)C(C)C ZINC001049769733 801387659 /nfs/dbraw/zinc/38/76/59/801387659.db2.gz PWEZAWACHVEWCS-QLFBSQMISA-N 1 1 298.858 3.096 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)C(C)C ZINC001049769733 801387666 /nfs/dbraw/zinc/38/76/66/801387666.db2.gz PWEZAWACHVEWCS-QLFBSQMISA-N 1 1 298.858 3.096 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)C(C)C ZINC001049769736 801388638 /nfs/dbraw/zinc/38/86/38/801388638.db2.gz PWEZAWACHVEWCS-SOUVJXGZSA-N 1 1 298.858 3.096 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)C(C)C ZINC001049769736 801388647 /nfs/dbraw/zinc/38/86/47/801388647.db2.gz PWEZAWACHVEWCS-SOUVJXGZSA-N 1 1 298.858 3.096 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(C)c1C ZINC001049876168 801391285 /nfs/dbraw/zinc/39/12/85/801391285.db2.gz OLXARIRCICERRV-ROUUACIJSA-N 1 1 298.430 3.168 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2C)CC1 ZINC001052170436 801422383 /nfs/dbraw/zinc/42/23/83/801422383.db2.gz VNEMAEPAWSCBPS-INIZCTEOSA-N 1 1 286.419 3.155 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cscc2C)CC1 ZINC001052279893 801428307 /nfs/dbraw/zinc/42/83/07/801428307.db2.gz LROZMECGOOULIM-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2cscc2C)CC1 ZINC001052281718 801429074 /nfs/dbraw/zinc/42/90/74/801429074.db2.gz ZHFTVBGRUGMKLM-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2CC(C)(C)C2)CC1 ZINC001052355238 801430062 /nfs/dbraw/zinc/43/00/62/801430062.db2.gz UMXYGUCYEQKSCJ-CQSZACIVSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2cc(C)c(C)o2)CC1 ZINC001052315150 801431074 /nfs/dbraw/zinc/43/10/74/801431074.db2.gz NTUJJDXKNCZITF-OAHLLOKOSA-N 1 1 290.407 3.057 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2cc(C)cs2)CC1 ZINC001052364718 801431966 /nfs/dbraw/zinc/43/19/66/801431966.db2.gz HMPHGUAXSVMXHS-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)C23CCC(CC2)C3)CC1 ZINC001052499082 801436544 /nfs/dbraw/zinc/43/65/44/801436544.db2.gz NKROGUUOYOTROS-PQUAAJSLSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC23CC3)CC1 ZINC001052486943 801436818 /nfs/dbraw/zinc/43/68/18/801436818.db2.gz QTSUYXQEDKRQHL-CVEARBPZSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C2CCC2)CC1 ZINC001052601775 801441684 /nfs/dbraw/zinc/44/16/84/801441684.db2.gz SXDOZAPKQKMOGQ-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C2CC3(CC3)C2)CC1 ZINC001052697991 801449691 /nfs/dbraw/zinc/44/96/91/801449691.db2.gz CSAFFJOGYBREFH-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]([C@H]2CCC[N@H+](CC)C2)C1 ZINC001053032839 801463781 /nfs/dbraw/zinc/46/37/81/801463781.db2.gz MTMRRRQKZJHVCS-JKSUJKDBSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCC)C1 ZINC001053060541 801466266 /nfs/dbraw/zinc/46/62/66/801466266.db2.gz ARMZVZDTEHVFRS-SJORKVTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)/C(C)=C/C)C2 ZINC001054110370 801474201 /nfs/dbraw/zinc/47/42/01/801474201.db2.gz DQHMZTIUJPFOBO-JILDMTJUSA-N 1 1 296.842 3.020 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[C@]2(CC[N@H+](C(C)C)C2)C1 ZINC001054192210 801477541 /nfs/dbraw/zinc/47/75/41/801477541.db2.gz RGWCSWJZRNIYHV-ZWKOTPCHSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)CC)C2 ZINC001054186447 801478069 /nfs/dbraw/zinc/47/80/69/801478069.db2.gz SIXCUCKQGSPAIU-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@]2(CC[N@H+](CC(=C)C)C2)C1 ZINC001054175454 801478165 /nfs/dbraw/zinc/47/81/65/801478165.db2.gz NLYFAUXGXSIGLU-SFHVURJKSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C)C(C)C)C2 ZINC001054208030 801479733 /nfs/dbraw/zinc/47/97/33/801479733.db2.gz JPOCSQZWZLKUCP-AEFFLSMTSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)c3cc(C)co3)cc2C1 ZINC001054277999 801483520 /nfs/dbraw/zinc/48/35/20/801483520.db2.gz HRCFVNFGNBWTDS-UHFFFAOYSA-N 1 1 296.370 3.020 20 30 CGEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)c3cc(C)co3)cc2C1 ZINC001054277999 801483525 /nfs/dbraw/zinc/48/35/25/801483525.db2.gz HRCFVNFGNBWTDS-UHFFFAOYSA-N 1 1 296.370 3.020 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C2CCCCC2)CC[C@H]1C ZINC001071322633 801528023 /nfs/dbraw/zinc/52/80/23/801528023.db2.gz XUOQSVNXSQLGRF-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2cc(C)cs2)CC[C@H]1C ZINC001071476382 801539033 /nfs/dbraw/zinc/53/90/33/801539033.db2.gz FZUYRXMXXFMNSI-ZIAGYGMSSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C23CCC(CC2)C3)CC[C@@H]1C ZINC001071612258 801542724 /nfs/dbraw/zinc/54/27/24/801542724.db2.gz DWHLQBSUBUGNPR-VUGNNNGISA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)sc2C)CC[C@@H]1C ZINC001071660212 801545213 /nfs/dbraw/zinc/54/52/13/801545213.db2.gz RTNCIWZOYARJIW-FZMZJTMJSA-N 1 1 292.448 3.134 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C2CCC3(CC3)CC2)CC[C@@H]1C ZINC001071689397 801545930 /nfs/dbraw/zinc/54/59/30/801545930.db2.gz JVINCNPKDNGENF-HOCLYGCPSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)C(C)(C)C2CC2)CC[C@@H]1C ZINC001071757892 801548821 /nfs/dbraw/zinc/54/88/21/801548821.db2.gz WHWGERAHOWDUTR-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC3CC3)C2)CC1 ZINC001071794577 801551119 /nfs/dbraw/zinc/55/11/19/801551119.db2.gz CWSODKWJOURLKP-WMLDXEAASA-N 1 1 290.451 3.112 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC3CCC3)C2)C1 ZINC001071803275 801554278 /nfs/dbraw/zinc/55/42/78/801554278.db2.gz JYRTTZBVNIOHBC-GDBMZVCRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)CC[N@H+]1CCC2(CN(C(=O)c3cccc(C)c3)C2)C1 ZINC001072435275 801571800 /nfs/dbraw/zinc/57/18/00/801571800.db2.gz YOWCJOCTCKFZSO-UHFFFAOYSA-N 1 1 298.430 3.109 20 30 CGEDMO C=CC[N@H+]1CCC2(CN(C(=O)CCC3CCCCC3)C2)C1 ZINC001073401898 801580011 /nfs/dbraw/zinc/58/00/11/801580011.db2.gz QHORBYDFBPAQRR-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CCC)CC2)CC1 ZINC001075445276 801602772 /nfs/dbraw/zinc/60/27/72/801602772.db2.gz YAHPRSFFTVNWTR-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001079758850 801647186 /nfs/dbraw/zinc/64/71/86/801647186.db2.gz ROLFBVJLNJLDKR-NUJGCVRESA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccsc2Cl)C1 ZINC001080562260 801655063 /nfs/dbraw/zinc/65/50/63/801655063.db2.gz PBUGMROVAJGUQA-ZYHUDNBSSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001080984228 801656640 /nfs/dbraw/zinc/65/66/40/801656640.db2.gz MGYKDNSPDODCMZ-JFIYKMOQSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)C(C)(C)C)C[C@@H]21 ZINC001084971800 801674580 /nfs/dbraw/zinc/67/45/80/801674580.db2.gz CALHXQXMRKVRGE-XHSDSOJGSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CCCCCCC1 ZINC001085715096 801701723 /nfs/dbraw/zinc/70/17/23/801701723.db2.gz BLCHBIWWQOGEPC-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CCC(=C)CC1 ZINC001085800887 801706123 /nfs/dbraw/zinc/70/61/23/801706123.db2.gz DXUCPWQUJDVMHN-QGZVFWFLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccsc1Cl ZINC001085857236 801709882 /nfs/dbraw/zinc/70/98/82/801709882.db2.gz TXAMCLYSKUYPDO-LLVKDONJSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)csc1Cl ZINC001085945026 801711152 /nfs/dbraw/zinc/71/11/52/801711152.db2.gz XYRJBJSIHUZDBW-LLVKDONJSA-N 1 1 298.839 3.042 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)csc1Cl ZINC001085945026 801711158 /nfs/dbraw/zinc/71/11/58/801711158.db2.gz XYRJBJSIHUZDBW-LLVKDONJSA-N 1 1 298.839 3.042 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(C)c1C ZINC001085954489 801714033 /nfs/dbraw/zinc/71/40/33/801714033.db2.gz BVBRHYGLZYMSNE-MRXNPFEDSA-N 1 1 286.419 3.026 20 30 CGEDMO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc2ccccc21 ZINC001085955842 801714144 /nfs/dbraw/zinc/71/41/44/801714144.db2.gz LLWIHXBWBJUDGJ-INIZCTEOSA-N 1 1 294.398 3.172 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc2ccccc21 ZINC001085955842 801714150 /nfs/dbraw/zinc/71/41/50/801714150.db2.gz LLWIHXBWBJUDGJ-INIZCTEOSA-N 1 1 294.398 3.172 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C2CC2)cc1 ZINC001085982945 801716348 /nfs/dbraw/zinc/71/63/48/801716348.db2.gz VESOZMCIKVOAGS-GOSISDBHSA-N 1 1 298.430 3.286 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3ccccc3)C(C)(C)[C@H]21 ZINC001087266910 801746822 /nfs/dbraw/zinc/74/68/22/801746822.db2.gz RWSQPWWRTTVBDC-ZACQAIPSSA-N 1 1 298.430 3.091 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccsc2)[C@H]1CC ZINC001087492763 801751782 /nfs/dbraw/zinc/75/17/82/801751782.db2.gz PDEPUFSIAIVVPL-QWHCGFSZSA-N 1 1 298.839 3.083 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccsc2)[C@H]1CC ZINC001087492763 801751787 /nfs/dbraw/zinc/75/17/87/801751787.db2.gz PDEPUFSIAIVVPL-QWHCGFSZSA-N 1 1 298.839 3.083 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC=CCC2)[C@H]1CC ZINC001087500745 801752417 /nfs/dbraw/zinc/75/24/17/801752417.db2.gz XJJLMHMJJVTZFJ-YESZJQIVSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)oc2C)[C@H]1CC ZINC001087499769 801752737 /nfs/dbraw/zinc/75/27/37/801752737.db2.gz JOXLPZBOSLHFGL-JKSUJKDBSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2coc3ccccc23)[C@H]1CC ZINC001087848408 801769954 /nfs/dbraw/zinc/76/99/54/801769954.db2.gz VXPGZLOARBUXPB-JKSUJKDBSA-N 1 1 298.386 3.202 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)[C@H]1C ZINC001088576297 801802858 /nfs/dbraw/zinc/80/28/58/801802858.db2.gz HIPFXDXLQCXNHB-QXSJWSMHSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2occc2C(C)C)[C@H]1C ZINC001088811926 801809997 /nfs/dbraw/zinc/80/99/97/801809997.db2.gz CPJHGNRJRFRJEV-HIFRSBDPSA-N 1 1 290.407 3.172 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2ccsc2)[C@H]1C ZINC001088851487 801810610 /nfs/dbraw/zinc/81/06/10/801810610.db2.gz IJDNQMBTWNEOSH-GUTXKFCHSA-N 1 1 292.448 3.007 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2CC(C(C)(C)C)C2)[C@H]1C ZINC001089070443 801820643 /nfs/dbraw/zinc/82/06/43/801820643.db2.gz FCCQBZOEBJZRQR-LMPOIIKSSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)CC2CCCC2)CC(C)(C)C1 ZINC001089305016 801832032 /nfs/dbraw/zinc/83/20/32/801832032.db2.gz DCACJXBPCNTGOA-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C(C)C)CC(C)(C)C1 ZINC001089323610 801833395 /nfs/dbraw/zinc/83/33/95/801833395.db2.gz DCAGEPJBDGNYNK-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccoc2)CC(C)(C)C1 ZINC001089316133 801833521 /nfs/dbraw/zinc/83/35/21/801833521.db2.gz AXOPOUANSFGTJL-OAHLLOKOSA-N 1 1 290.407 3.076 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C2(C)CC=CC2)CC(C)(C)C1 ZINC001089483605 801841994 /nfs/dbraw/zinc/84/19/94/801841994.db2.gz KHBFXFGLTLJJHN-OAHLLOKOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC(C)(C)C(=O)N1C[C@H]2C[N@H+](CCC(C)C)C[C@@]2(C)C1 ZINC001091910050 801860081 /nfs/dbraw/zinc/86/00/81/801860081.db2.gz GDFNSWYJQUVTIC-QAPCUYQASA-N 1 1 292.467 3.025 20 30 CGEDMO COc1cccc2c1CC[C@@H]([N@@H+]1[C@@H]3CC[C@H]1C[C@H](C#N)C3)C2 ZINC001256654603 806941695 /nfs/dbraw/zinc/94/16/95/806941695.db2.gz PHXODAKDPAFYHB-MXASKKJJSA-N 1 1 296.414 3.319 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1=CCCCC1)C2 ZINC001095239613 801880841 /nfs/dbraw/zinc/88/08/41/801880841.db2.gz AQTPIEOYPCAMIQ-IKGGRYGDSA-N 1 1 288.435 3.175 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC(C)=C(C)C1)C2 ZINC001095459134 801883842 /nfs/dbraw/zinc/88/38/42/801883842.db2.gz LDLNIFUOGIFPQL-YVSFHVDLSA-N 1 1 288.435 3.030 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC=CCC1)C2 ZINC001095876438 801884725 /nfs/dbraw/zinc/88/47/25/801884725.db2.gz OJAGESIOIJPZJT-NCOADZHNSA-N 1 1 288.435 3.030 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C1CCC1)C2 ZINC001095821616 801886395 /nfs/dbraw/zinc/88/63/95/801886395.db2.gz UAKDTVJXPMSUKU-PMPSAXMXSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC=CCC1)C2 ZINC001096794999 801895566 /nfs/dbraw/zinc/89/55/66/801895566.db2.gz ZLBHEOBMRPSGAX-HZMVEIRTSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C=C2CCCCC2)C1 ZINC001098748637 801913531 /nfs/dbraw/zinc/91/35/31/801913531.db2.gz FESICFOKKYIBBS-WMZOPIPTSA-N 1 1 288.435 3.034 20 30 CGEDMO C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CCC1 ZINC001098825537 801916889 /nfs/dbraw/zinc/91/68/89/801916889.db2.gz DSZARIJVRCVVPY-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H](C)C(C)C ZINC001098960904 801921458 /nfs/dbraw/zinc/92/14/58/801921458.db2.gz TZZSBEVVFPGPRZ-JKSUJKDBSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1(C)CCCC1 ZINC001099158476 801929741 /nfs/dbraw/zinc/92/97/41/801929741.db2.gz HDIGNTGHGFFERX-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(CC)cc2)C1 ZINC001099145047 801930897 /nfs/dbraw/zinc/93/08/97/801930897.db2.gz YERMNPNSCJBWKL-HKUYNNGSSA-N 1 1 298.430 3.019 20 30 CGEDMO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC(C)(C)C ZINC001099270454 801936160 /nfs/dbraw/zinc/93/61/60/801936160.db2.gz MIQQZKUXCVQJKN-HNNXBMFYSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CN(C(=O)C[C@H](C)C(C)C)C[C@]2(C)C1 ZINC001101170468 801973358 /nfs/dbraw/zinc/97/33/58/801973358.db2.gz HBWCJKXWOMQNEU-JZXOWHBKSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)C[C@H](C)CC)C[C@]2(C)C1 ZINC001101219018 801975840 /nfs/dbraw/zinc/97/58/40/801975840.db2.gz PLDWTNOOABZOLG-NUJGCVRESA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCCC(=O)N1C[C@H]2C[N@H+](CC=C(C)C)C[C@@]2(C)C1 ZINC001101346887 801977492 /nfs/dbraw/zinc/97/74/92/801977492.db2.gz LXIAJEUCAOFQRF-AEFFLSMTSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)C[C@@H](C)CCC)[C@H](C)C1 ZINC001101801356 801989913 /nfs/dbraw/zinc/98/99/13/801989913.db2.gz AWPKMERIYWNVPF-ARFHVFGLSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CC[N@H+]1C[C@@H](CNC(=O)C(C)(C)C2CCCC2)[C@H](C)C1 ZINC001102053230 801997655 /nfs/dbraw/zinc/99/76/55/801997655.db2.gz ZWFZQKYJSCZJBF-HUUCEWRRSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1C ZINC001102003582 801998330 /nfs/dbraw/zinc/99/83/30/801998330.db2.gz GFIHWWPCMXUFSL-JLVOYYQZSA-N 1 1 298.858 3.025 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](CNC(=O)C(CCC)CCC)[C@H](C)C1 ZINC001102289991 802003632 /nfs/dbraw/zinc/00/36/32/802003632.db2.gz WMLQJZNKKZZJBK-GDBMZVCRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@H+](CC=C(C)C)C[C@H]1C ZINC001102407544 802005883 /nfs/dbraw/zinc/00/58/83/802005883.db2.gz BUYBXJWUVAJARZ-HZPDHXFCSA-N 1 1 292.467 3.239 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)C2(C(C)C)CC2)[C@H](C)C1 ZINC001102346653 802007535 /nfs/dbraw/zinc/00/75/35/802007535.db2.gz XPWNOOWGKZDRBM-HZPDHXFCSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)C2CCCC2)[C@H](C)C1 ZINC001102507030 802010670 /nfs/dbraw/zinc/01/06/70/802010670.db2.gz MLIWUPFMUTYONQ-HLLBOEOZSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCCC)C1 ZINC001102664676 802017323 /nfs/dbraw/zinc/01/73/23/802017323.db2.gz CNXUXPONVMFPOE-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)CCC)C1 ZINC001102789763 802019816 /nfs/dbraw/zinc/01/98/16/802019816.db2.gz PKIBJJWQOQAGHM-BRWVUGGUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC(C)(C)C)C1 ZINC001102774217 802020297 /nfs/dbraw/zinc/02/02/97/802020297.db2.gz ZDMBMAHNGBGHGG-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)/C=C(\C)CC)C1 ZINC001102950409 802023281 /nfs/dbraw/zinc/02/32/81/802023281.db2.gz UDQRZMZCBOUNNF-OSEPDQNXSA-N 1 1 298.858 3.169 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)CCCC)C1 ZINC001102935937 802023608 /nfs/dbraw/zinc/02/36/08/802023608.db2.gz ZGJRONOBQXYYOL-BRWVUGGUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NCC[C@@H]1C[N@@H+](CCCF)C[C@H]1C ZINC001103344260 802031596 /nfs/dbraw/zinc/03/15/96/802031596.db2.gz HSMNZSVRAPGDMD-BZUAXINKSA-N 1 1 298.446 3.023 20 30 CGEDMO C=CCCCC(=O)NCC[C@@H]1C[N@H+](CC=C(C)C)C[C@H]1C ZINC001103382586 802033726 /nfs/dbraw/zinc/03/37/26/802033726.db2.gz NKSPLOIJMMHELT-IAGOWNOFSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC(C)(C)C)C1 ZINC001103552013 802035555 /nfs/dbraw/zinc/03/55/55/802035555.db2.gz XYJPMJDUJJUDMR-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001103660882 802037863 /nfs/dbraw/zinc/03/78/63/802037863.db2.gz ZHVZJXBMOBKOHM-QBPKDAKJSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)CCCC)CCC[C@@H]12 ZINC001107286410 802083839 /nfs/dbraw/zinc/08/38/39/802083839.db2.gz GFZMKWWJRLEBQV-GDBMZVCRSA-N 1 1 298.858 3.290 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)CCC)CCC[C@@H]12 ZINC001107527619 802089187 /nfs/dbraw/zinc/08/91/87/802089187.db2.gz NDAZWLSJEMRISQ-CRAIPNDOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=C)C)CC2 ZINC001107524088 802089485 /nfs/dbraw/zinc/08/94/85/802089485.db2.gz GXKWIQXJIZWRRU-SJLPKXTDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CCCC1)C2 ZINC001108879282 802101409 /nfs/dbraw/zinc/10/14/09/802101409.db2.gz ZVOUALKFGMDDRV-IKGGRYGDSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C=C\C1CC1)C2 ZINC001109123103 802108001 /nfs/dbraw/zinc/10/80/01/802108001.db2.gz PUWIJIKWZVSKSN-XAYWKOTLSA-N 1 1 288.435 3.029 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CCC1)C2 ZINC001109118053 802108741 /nfs/dbraw/zinc/10/87/41/802108741.db2.gz XBVMINSRNJXRBQ-SIXLDLHFSA-N 1 1 290.451 3.253 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C=C(\C)CC)C2 ZINC001109245426 802112034 /nfs/dbraw/zinc/11/20/34/802112034.db2.gz QMUIRTUVFWBDSD-GVCJHLKLSA-N 1 1 276.424 3.030 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C(CC)CC)C2 ZINC001109471575 802116122 /nfs/dbraw/zinc/11/61/22/802116122.db2.gz ATIBXKYFPUPLHD-ORQFMDKSSA-N 1 1 292.467 3.356 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](C)CC ZINC001109596199 802117472 /nfs/dbraw/zinc/11/74/72/802117472.db2.gz ISDZDPUENHWTIT-WCVJEAGWSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)CC(C)C)C2 ZINC001109894982 802127383 /nfs/dbraw/zinc/12/73/83/802127383.db2.gz XAEXPEUXISHJSZ-YVSFHVDLSA-N 1 1 292.467 3.356 20 30 CGEDMO C=C[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC)c1ccccc1 ZINC001110135018 802131922 /nfs/dbraw/zinc/13/19/22/802131922.db2.gz IJWGJXJXEKVJGY-RANZSIQMSA-N 1 1 298.430 3.088 20 30 CGEDMO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)C)C2 ZINC001110286188 802136721 /nfs/dbraw/zinc/13/67/21/802136721.db2.gz TXHVKKSMNWIZEH-OAGGEKHMSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC(C)C)C2 ZINC001110276391 802137041 /nfs/dbraw/zinc/13/70/41/802137041.db2.gz CPNCKNVRRIHJEL-HZMVEIRTSA-N 1 1 292.467 3.499 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCC1 ZINC001110379083 802138507 /nfs/dbraw/zinc/13/85/07/802138507.db2.gz VGOIQDWVSPVSLB-ZACQAIPSSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(=C)C ZINC001110603963 802147193 /nfs/dbraw/zinc/14/71/93/802147193.db2.gz XGSBAPRNHJYQTM-OAGGEKHMSA-N 1 1 290.451 3.276 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)CCC)C2 ZINC001110970079 802152622 /nfs/dbraw/zinc/15/26/22/802152622.db2.gz LAIDNUBFVICWEP-KFWWJZLASA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C)C2 ZINC001111307647 802158058 /nfs/dbraw/zinc/15/80/58/802158058.db2.gz ORUCMIFJJFFDMA-YJNKXOJESA-N 1 1 278.440 3.109 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)CC(C)C)C2 ZINC001111266769 802159013 /nfs/dbraw/zinc/15/90/13/802159013.db2.gz QHYIWDBXYWHYMT-VQHPVUNQSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2(C)CC2)C1 ZINC001111814917 802168723 /nfs/dbraw/zinc/16/87/23/802168723.db2.gz JAENJQQBFDTMTG-YJBOKZPZSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC[C@@H](C)F)C2 ZINC001111859012 802170023 /nfs/dbraw/zinc/17/00/23/802170023.db2.gz JUWVDVBGTJTVJJ-VYDXJSESSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)CCCC[C@H](C)CC)CC1 ZINC001112887829 802194946 /nfs/dbraw/zinc/19/49/46/802194946.db2.gz ATFRQNWYISFAOD-MRXNPFEDSA-N 1 1 280.456 3.313 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)CC/C=C\c2ccccc2)CC1 ZINC001113339155 802216624 /nfs/dbraw/zinc/21/66/24/802216624.db2.gz OUUXEQCJDHSTQJ-POHAHGRESA-N 1 1 298.430 3.200 20 30 CGEDMO C=CC[C@@H](C(=O)N1CC[NH+](CC(=C)C)CC1)c1ccccc1 ZINC001113661494 802230854 /nfs/dbraw/zinc/23/08/54/802230854.db2.gz WIRYEAMYVYPIDR-GOSISDBHSA-N 1 1 298.430 3.067 20 30 CGEDMO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](CC)c3ccccc3)C[C@H]21 ZINC001114003207 802236306 /nfs/dbraw/zinc/23/63/06/802236306.db2.gz VNIQXRSMUNRGJM-MJQMVNBJSA-N 1 1 298.430 3.150 20 30 CGEDMO N#CC1(C[N@@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)CC1 ZINC001116474830 802361242 /nfs/dbraw/zinc/36/12/42/802361242.db2.gz LMQBTCBUCJHPNZ-ZDUSSCGKSA-N 1 1 280.375 3.046 20 30 CGEDMO N#CC1(C[N@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)CC1 ZINC001116474830 802361250 /nfs/dbraw/zinc/36/12/50/802361250.db2.gz LMQBTCBUCJHPNZ-ZDUSSCGKSA-N 1 1 280.375 3.046 20 30 CGEDMO C#CCOCC[N@H+](C)[C@@H](C)c1cccc(Cl)c1F ZINC001116675368 802395688 /nfs/dbraw/zinc/39/56/88/802395688.db2.gz CLPDXIWPQIIYCD-NSHDSACASA-N 1 1 269.747 3.122 20 30 CGEDMO FC(F)(F)CCN[NH+]=Cc1ccc(N2CCCC2)cc1 ZINC001116873650 802422015 /nfs/dbraw/zinc/42/20/15/802422015.db2.gz DQLSTMBNERHGJQ-UHFFFAOYSA-N 1 1 285.313 3.163 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@@H]1COC(=O)c1csc(C#N)c1 ZINC001117806923 802501274 /nfs/dbraw/zinc/50/12/74/802501274.db2.gz RFYHUNQYEUBJNU-CYBMUJFWSA-N 1 1 292.404 3.039 20 30 CGEDMO Cc1nccc([C@@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)n1 ZINC001118303819 802547193 /nfs/dbraw/zinc/54/71/93/802547193.db2.gz YQLFLUDJUCUUAR-CYBMUJFWSA-N 1 1 298.415 3.098 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2[C@@H](O)c2ccccc2)s1 ZINC001119260115 802640586 /nfs/dbraw/zinc/64/05/86/802640586.db2.gz YEBGDDWHRWWCFH-IRXDYDNUSA-N 1 1 298.411 3.318 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC)C1 ZINC001120272765 802737546 /nfs/dbraw/zinc/73/75/46/802737546.db2.gz UQIYOQGBTDZEEF-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+]2CC2CC2)C1 ZINC001120348404 802740662 /nfs/dbraw/zinc/74/06/62/802740662.db2.gz VARYOZLRZZQMBV-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)/C=C(\C)CC)C1 ZINC001120374101 802743125 /nfs/dbraw/zinc/74/31/25/802743125.db2.gz UZVWYPYTFXGDKM-DDDPSPMYSA-N 1 1 290.451 3.232 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001120467802 802745859 /nfs/dbraw/zinc/74/58/59/802745859.db2.gz MLOXTAJIOBEMKF-QGZVFWFLSA-N 1 1 296.418 3.210 20 30 CGEDMO C=CCCC[N@H+]1[C@H](C)CC[C@@H]1C(=O)OC(C)(C)C ZINC001195875937 811297367 /nfs/dbraw/zinc/29/73/67/811297367.db2.gz BXSYSLRIUTUQIQ-CHWSQXEVSA-N 1 1 253.386 3.147 20 30 CGEDMO C=CCCC[N@H+]1C[C@H](NC(=O)CCCC)CC[C@@H]1C ZINC001131813911 803347798 /nfs/dbraw/zinc/34/77/98/803347798.db2.gz RVJLMNVRZHTBHI-LSDHHAIUSA-N 1 1 266.429 3.112 20 30 CGEDMO C=CCCC[N@H+]1C[C@H](NC(=O)CCSCC)CC[C@@H]1C ZINC001131847390 803350913 /nfs/dbraw/zinc/35/09/13/803350913.db2.gz CAYCRYXHHJVWAG-LSDHHAIUSA-N 1 1 298.496 3.065 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)/C=C(\C)C2CC2)CC[C@@H]1C ZINC001131903667 803355971 /nfs/dbraw/zinc/35/59/71/803355971.db2.gz JDNBVDJBTAPLFJ-ZTMPEJBFSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCCC(C)C)C1 ZINC001131894613 803356219 /nfs/dbraw/zinc/35/62/19/803356219.db2.gz ACYWSUWVBKUBKS-HZPDHXFCSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)CCC2CC2)CC[C@H]1C ZINC001131922274 803356927 /nfs/dbraw/zinc/35/69/27/803356927.db2.gz HOPXNCBRYPPRHA-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCC2CC2)CC[C@H]1C ZINC001131922277 803357368 /nfs/dbraw/zinc/35/73/68/803357368.db2.gz HOPXNCBRYPPRHA-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)C(F)=C(C)C)CC[C@H]1C ZINC001131968841 803362647 /nfs/dbraw/zinc/36/26/47/803362647.db2.gz SLEKAPXKKKRUBI-KGLIPLIRSA-N 1 1 282.403 3.185 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC/C=C/CC)C1 ZINC001132003369 803365885 /nfs/dbraw/zinc/36/58/85/803365885.db2.gz UJKSGDVRFSUONN-WPLBAPSMSA-N 1 1 290.451 3.115 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCCC)C1 ZINC001132061737 803371094 /nfs/dbraw/zinc/37/10/94/803371094.db2.gz YDSGLNJNDZYQLQ-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](CCC(=C)C)C1 ZINC001132072546 803372197 /nfs/dbraw/zinc/37/21/97/803372197.db2.gz LTNVWVAHTWYSNO-HOTGVXAUSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)CC(C)(C)C=C)CC[C@@H]1C ZINC001132060753 803372215 /nfs/dbraw/zinc/37/22/15/803372215.db2.gz KNEUOIDNBXUMHW-LSDHHAIUSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(=C)Cl)CC[C@H]1C ZINC001132079515 803372974 /nfs/dbraw/zinc/37/29/74/803372974.db2.gz ZSJUGUALUZWEMY-OCCSQVGLSA-N 1 1 298.858 3.310 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](C/C=C\Cl)C1 ZINC001132222269 803380091 /nfs/dbraw/zinc/38/00/91/803380091.db2.gz VVWXTVLMUCPVAO-MVUUYHCISA-N 1 1 298.858 3.310 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](C/C=C\Cl)C1 ZINC001132222269 803380094 /nfs/dbraw/zinc/38/00/94/803380094.db2.gz VVWXTVLMUCPVAO-MVUUYHCISA-N 1 1 298.858 3.310 20 30 CGEDMO C#CCC[N@H+]1C[C@@H](NC(=O)C(CCC)CCC)CC[C@@H]1C ZINC001132256358 803388200 /nfs/dbraw/zinc/38/82/00/803388200.db2.gz MQAASRRMUKNBFS-RDJZCZTQSA-N 1 1 292.467 3.195 20 30 CGEDMO CC#CC[N@H+]1C[C@@H](NC(=O)C(CCC)CCC)CC[C@@H]1C ZINC001132255774 803388215 /nfs/dbraw/zinc/38/82/15/803388215.db2.gz FKHYLFQLXIMBCH-RDJZCZTQSA-N 1 1 292.467 3.195 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)C(C)(C)CC)CC[C@H]1C ZINC001132256204 803388991 /nfs/dbraw/zinc/38/89/91/803388991.db2.gz KJNHTVAUCBSTDP-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[N@H+]1C[C@H](NC(=O)C(C)(C)CCC)CC[C@@H]1C ZINC001132253799 803389045 /nfs/dbraw/zinc/38/90/45/803389045.db2.gz ZOOMQTVSHDZPNF-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)C2(CCCC)CC2)CC[C@@H]1C ZINC001132278492 803390864 /nfs/dbraw/zinc/39/08/64/803390864.db2.gz PLYZJZSGQIJGPR-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](CCC2CC2)C1 ZINC001132332023 803396011 /nfs/dbraw/zinc/39/60/11/803396011.db2.gz RACQOYXRZDKKEW-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCCC)C1 ZINC001132330513 803396123 /nfs/dbraw/zinc/39/61/23/803396123.db2.gz IIGGLLDLMLPKPG-HUUCEWRRSA-N 1 1 280.456 3.358 20 30 CGEDMO Cc1[nH+]ccn1-c1cncc(-c2cccc(Cl)c2C#N)n1 ZINC001244725241 803514564 /nfs/dbraw/zinc/51/45/64/803514564.db2.gz JUDILCPNRMKUIY-UHFFFAOYSA-N 1 1 295.733 3.163 20 30 CGEDMO Cc1c(C#N)cccc1-c1ccc(C[NH+]2CCOCC2)cc1 ZINC001244814434 803533234 /nfs/dbraw/zinc/53/32/34/803533234.db2.gz AHACLMSPZCDGIH-UHFFFAOYSA-N 1 1 292.382 3.366 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2nccnc2c1 ZINC001137088097 803681917 /nfs/dbraw/zinc/68/19/17/803681917.db2.gz NBLLIUPXURRMDM-UHFFFAOYSA-N 1 1 288.354 3.133 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1C ZINC001137115482 803684991 /nfs/dbraw/zinc/68/49/91/803684991.db2.gz QGRGOUNBSWACKK-CABCVRRESA-N 1 1 272.392 3.457 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)cc1 ZINC001137115397 803685244 /nfs/dbraw/zinc/68/52/44/803685244.db2.gz LWIBIWNHBNMNIK-HOTGVXAUSA-N 1 1 270.376 3.211 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2cc3ccccc3[nH]c2=O)CC1 ZINC001137187262 803694425 /nfs/dbraw/zinc/69/44/25/803694425.db2.gz LVKQESLBQFAJBN-ZDUSSCGKSA-N 1 1 281.359 3.066 20 30 CGEDMO O=C1C=C2C[N@@H+](Cc3cccc4ncccc34)CCC2S1 ZINC001137626015 803746513 /nfs/dbraw/zinc/74/65/13/803746513.db2.gz YBNBIBCLPFLEBL-INIZCTEOSA-N 1 1 296.395 3.009 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3cccc4ncccc34)CCC2S1 ZINC001137626015 803746516 /nfs/dbraw/zinc/74/65/16/803746516.db2.gz YBNBIBCLPFLEBL-INIZCTEOSA-N 1 1 296.395 3.009 20 30 CGEDMO COc1ccc(C[N@@H+](C)C[C@@H]2CC2(C)C)c(C#N)c1 ZINC001137704843 803760480 /nfs/dbraw/zinc/76/04/80/803760480.db2.gz WYCLOHHOQVLSLX-AWEZNQCLSA-N 1 1 258.365 3.045 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1cc2c(cc1Cl)OCO2 ZINC001138244611 803878915 /nfs/dbraw/zinc/87/89/15/803878915.db2.gz GJDCXFNOFUCQSO-UHFFFAOYSA-N 1 1 267.756 3.467 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc2c(cc1Cl)OCO2 ZINC001138244611 803878929 /nfs/dbraw/zinc/87/89/29/803878929.db2.gz GJDCXFNOFUCQSO-UHFFFAOYSA-N 1 1 267.756 3.467 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)Cc1cc(O)cc(O)c1 ZINC001138331198 803897293 /nfs/dbraw/zinc/89/72/93/803897293.db2.gz QONFNVHEAXHGAG-UHFFFAOYSA-N 1 1 269.344 3.286 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cc(O)cc(O)c1 ZINC001138331198 803897300 /nfs/dbraw/zinc/89/73/00/803897300.db2.gz QONFNVHEAXHGAG-UHFFFAOYSA-N 1 1 269.344 3.286 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2[nH]c3ccc(F)cc3c2C)C1 ZINC001138414218 803924037 /nfs/dbraw/zinc/92/40/37/803924037.db2.gz RVXUHXKYULFMOZ-ZDUSSCGKSA-N 1 1 270.351 3.461 20 30 CGEDMO COc1ccc(C)cc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001138487160 803949505 /nfs/dbraw/zinc/94/95/05/803949505.db2.gz FGMCRSOLVXAUAW-MKZZRHPPSA-N 1 1 270.376 3.270 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2CC[C@H](C)[C@@](C)(O)CC2)c1O ZINC001138625911 803982355 /nfs/dbraw/zinc/98/23/55/803982355.db2.gz WVUZDFMRXZFDKU-KSSFIOAISA-N 1 1 289.419 3.104 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CCC[C@]3(CCOC3)C2)c1O ZINC001138625636 803984104 /nfs/dbraw/zinc/98/41/04/803984104.db2.gz RFHYGADZCZAXHU-SFHVURJKSA-N 1 1 287.403 3.123 20 30 CGEDMO C=CCc1cccc(C[N@@H+](C)C[C@H]2CCCCO2)c1O ZINC001138629425 803985950 /nfs/dbraw/zinc/98/59/50/803985950.db2.gz YOILYHTVVBVFFY-MRXNPFEDSA-N 1 1 275.392 3.122 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CCC[C@H](CC#N)C2)c1O ZINC001138627869 803986095 /nfs/dbraw/zinc/98/60/95/803986095.db2.gz HJKKTMWXQNOKJT-CQSZACIVSA-N 1 1 270.376 3.246 20 30 CGEDMO C=CCc1cccc(CN2CC[N@H+](C(C)C)[C@@H](C)C2)c1O ZINC001138631120 803986226 /nfs/dbraw/zinc/98/62/26/803986226.db2.gz LLXPXKYFNSFVJJ-HNNXBMFYSA-N 1 1 288.435 3.035 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CCN(C(C)C)[C@@H](C)C2)c1O ZINC001138631120 803986231 /nfs/dbraw/zinc/98/62/31/803986231.db2.gz LLXPXKYFNSFVJJ-HNNXBMFYSA-N 1 1 288.435 3.035 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2CCN(C(C)C)[C@@H](C)C2)c1O ZINC001138631120 803986236 /nfs/dbraw/zinc/98/62/36/803986236.db2.gz LLXPXKYFNSFVJJ-HNNXBMFYSA-N 1 1 288.435 3.035 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1C[C@H](CO)CC[C@@H]1C ZINC001138661700 803995349 /nfs/dbraw/zinc/99/53/49/803995349.db2.gz FDZJGRYFNYRPNT-JKSUJKDBSA-N 1 1 289.419 3.234 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccccc2OCC(=C)C)C1 ZINC001138665885 803999312 /nfs/dbraw/zinc/99/93/12/803999312.db2.gz ZMCDJXZUYLFNGL-INIZCTEOSA-N 1 1 269.388 3.487 20 30 CGEDMO C=CCOc1ccccc1CN1CCC([N@H+](C)CC)CC1 ZINC001139030646 804114667 /nfs/dbraw/zinc/11/46/67/804114667.db2.gz LAFIRNQUDZTXPX-UHFFFAOYSA-N 1 1 288.435 3.168 20 30 CGEDMO Cn1ccc2c1cccc2C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001139160228 804144923 /nfs/dbraw/zinc/14/49/23/804144923.db2.gz VSGHBJHLEBNKRJ-AWEZNQCLSA-N 1 1 267.376 3.304 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc3cccnc3c2)C1 ZINC001139170038 804148567 /nfs/dbraw/zinc/14/85/67/804148567.db2.gz YMCLNVYTDVVODF-AWEZNQCLSA-N 1 1 265.360 3.360 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)cc1F ZINC001139526904 804200742 /nfs/dbraw/zinc/20/07/42/804200742.db2.gz NWBOYVPSVOEPCS-OLZOCXBDSA-N 1 1 280.293 3.174 20 30 CGEDMO CCCCCCCC[C@@H](CCC)[NH2+][C@H]1CN[C@H](CO)C1 ZINC001246213507 804210664 /nfs/dbraw/zinc/21/06/64/804210664.db2.gz QTJHHDPNBZZPCX-ZACQAIPSSA-N 1 1 284.488 3.218 20 30 CGEDMO CCCCCCCCCC[C@H](C)[NH2+][C@@H]1CCNC[C@@H]1O ZINC001246217121 804211995 /nfs/dbraw/zinc/21/19/95/804211995.db2.gz DEJUUZREIOYSIW-BBWFWOEESA-N 1 1 284.488 3.218 20 30 CGEDMO CCOc1ccc(C[NH+]2CCC(C#N)CC2)cc1Cl ZINC001139593751 804217107 /nfs/dbraw/zinc/21/71/07/804217107.db2.gz VNMJEGNBNSDQCS-UHFFFAOYSA-N 1 1 278.783 3.474 20 30 CGEDMO N#Cc1ccc(F)c(C[NH+]2CC(c3ccccc3)C2)c1 ZINC001139649647 804244666 /nfs/dbraw/zinc/24/46/66/804244666.db2.gz VTRMOMSFCRLONB-UHFFFAOYSA-N 1 1 266.319 3.297 20 30 CGEDMO N#Cc1ccc(F)c(C[NH+]2CC3(C2)CCCCC3)c1 ZINC001139649672 804244690 /nfs/dbraw/zinc/24/46/90/804244690.db2.gz XMHUMCIGNYOVPN-UHFFFAOYSA-N 1 1 258.340 3.463 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2C#N)CCC[C@]1(C)O ZINC001139687599 804254799 /nfs/dbraw/zinc/25/47/99/804254799.db2.gz UBZVINCZSGBBLF-WBMJQRKESA-N 1 1 292.810 3.195 20 30 CGEDMO COC(C)(C)[C@@H]1CCC[N@H+]1Cc1c[nH]c2c1cccc2C#N ZINC001139703922 804260176 /nfs/dbraw/zinc/26/01/76/804260176.db2.gz XUZALMDDCYNWNW-INIZCTEOSA-N 1 1 297.402 3.429 20 30 CGEDMO C[N@H+](Cc1c[nH]c2c1cccc2C#N)C[C@@H]1CCCCO1 ZINC001139703305 804260838 /nfs/dbraw/zinc/26/08/38/804260838.db2.gz NBVCMUJHDVMCCW-HNNXBMFYSA-N 1 1 283.375 3.040 20 30 CGEDMO Cc1ccc(C[N@@H+](C)C[C@@H]2Cc3ccccc3O2)cc1C#N ZINC001139728816 804269791 /nfs/dbraw/zinc/26/97/91/804269791.db2.gz GWIMKUZXVRMJSI-SFHVURJKSA-N 1 1 292.382 3.302 20 30 CGEDMO CCCC[C@H]1C[C@@H](N[C@@H]2CCc3c2cccc3C#N)CC[NH2+]1 ZINC001246309628 804272161 /nfs/dbraw/zinc/27/21/61/804272161.db2.gz VTNHKTVRIDXKSA-TXPKVOOTSA-N 1 1 297.446 3.446 20 30 CGEDMO C=CCn1cc(C[N@@H+]2CC[C@H](c3ccccc3OC)C2)cn1 ZINC001139766901 804278242 /nfs/dbraw/zinc/27/82/42/804278242.db2.gz YGBZINSOWJERKL-INIZCTEOSA-N 1 1 297.402 3.067 20 30 CGEDMO C=CCn1cc(C[N@H+]2CCC[C@@H]2c2ccccc2)cn1 ZINC001139770257 804278497 /nfs/dbraw/zinc/27/84/97/804278497.db2.gz JBVNIMOBRJMDRC-QGZVFWFLSA-N 1 1 267.376 3.406 20 30 CGEDMO C=CCn1cc(C[N@H+]2CCC[C@H]2c2ccccc2)cn1 ZINC001139770256 804278707 /nfs/dbraw/zinc/27/87/07/804278707.db2.gz JBVNIMOBRJMDRC-KRWDZBQOSA-N 1 1 267.376 3.406 20 30 CGEDMO CCCCCCC[C@H](CC)[NH2+][C@H]1CCNC[C@H]1OC ZINC001246349815 804299263 /nfs/dbraw/zinc/29/92/63/804299263.db2.gz PFJURHCYVBBYAA-HRCADAONSA-N 1 1 270.461 3.092 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1ccc2cnn(C)c2c1 ZINC001139909280 804325077 /nfs/dbraw/zinc/32/50/77/804325077.db2.gz REIHWVLSBGTOFM-UHFFFAOYSA-N 1 1 270.380 3.089 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1ccc2cnn(C)c2c1 ZINC001139909280 804325084 /nfs/dbraw/zinc/32/50/84/804325084.db2.gz REIHWVLSBGTOFM-UHFFFAOYSA-N 1 1 270.380 3.089 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)Cc1cccc(F)n1 ZINC001140134083 804385542 /nfs/dbraw/zinc/38/55/42/804385542.db2.gz DWWKCEOVAZDECD-UHFFFAOYSA-N 1 1 256.324 3.409 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cccc(F)n1 ZINC001140134083 804385550 /nfs/dbraw/zinc/38/55/50/804385550.db2.gz DWWKCEOVAZDECD-UHFFFAOYSA-N 1 1 256.324 3.409 20 30 CGEDMO C[C@@]1(N)CCC[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001246544385 804393496 /nfs/dbraw/zinc/39/34/96/804393496.db2.gz VIJLSQDQNAQVGA-CTWPCTMYSA-N 1 1 297.446 3.398 20 30 CGEDMO C[C@@]1([NH3+])CCCN(C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001246544385 804393505 /nfs/dbraw/zinc/39/35/05/804393505.db2.gz VIJLSQDQNAQVGA-CTWPCTMYSA-N 1 1 297.446 3.398 20 30 CGEDMO CCCCCCC[C@H](CC)[N@@H+](C)C[C@H]1CNCCO1 ZINC001246549546 804397266 /nfs/dbraw/zinc/39/72/66/804397266.db2.gz MKCBOJWUMRJSNH-JKSUJKDBSA-N 1 1 270.461 3.046 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2ccccc2-c2cccnc2)C1 ZINC001140320849 804411908 /nfs/dbraw/zinc/41/19/08/804411908.db2.gz QBIWBRUGLHYCMK-HNNXBMFYSA-N 1 1 277.371 3.484 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccccc2-c2cccnc2)C1 ZINC001140320849 804411912 /nfs/dbraw/zinc/41/19/12/804411912.db2.gz QBIWBRUGLHYCMK-HNNXBMFYSA-N 1 1 277.371 3.484 20 30 CGEDMO C[C@H]1CNCC[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001246571816 804419177 /nfs/dbraw/zinc/41/91/77/804419177.db2.gz NHAWUPCEHRKGNN-MNNVXMFVSA-N 1 1 297.446 3.126 20 30 CGEDMO C[C@H]1C[NH2+]CCN(C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001246571816 804419180 /nfs/dbraw/zinc/41/91/80/804419180.db2.gz NHAWUPCEHRKGNN-MNNVXMFVSA-N 1 1 297.446 3.126 20 30 CGEDMO CCCCCCCCC[C@@H](C)[N@@H+]1CCNC[C@@H]1COC ZINC001246592617 804433551 /nfs/dbraw/zinc/43/35/51/804433551.db2.gz GFMKWNMLLJNKAH-IAGOWNOFSA-N 1 1 284.488 3.436 20 30 CGEDMO CCCCCCCCC[C@@H](C)[N@H+]1CCNC[C@@H]1COC ZINC001246592617 804433556 /nfs/dbraw/zinc/43/35/56/804433556.db2.gz GFMKWNMLLJNKAH-IAGOWNOFSA-N 1 1 284.488 3.436 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)cn1 ZINC001140540329 804456391 /nfs/dbraw/zinc/45/63/91/804456391.db2.gz RPIBEHUOYPKNTJ-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)cn1 ZINC001140540329 804456393 /nfs/dbraw/zinc/45/63/93/804456393.db2.gz RPIBEHUOYPKNTJ-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCSc3ccccc3C2)cn1 ZINC001140546720 804457602 /nfs/dbraw/zinc/45/76/02/804457602.db2.gz REZMZUCKKVRPBK-UHFFFAOYSA-N 1 1 281.384 3.061 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCSc3ccccc3C2)cn1 ZINC001140546720 804457606 /nfs/dbraw/zinc/45/76/06/804457606.db2.gz REZMZUCKKVRPBK-UHFFFAOYSA-N 1 1 281.384 3.061 20 30 CGEDMO CC[N@H+](Cc1ccc(C#N)nc1)Cc1ccccc1F ZINC001140546114 804458032 /nfs/dbraw/zinc/45/80/32/804458032.db2.gz UTGRMHCCZKNFJR-UHFFFAOYSA-N 1 1 269.323 3.114 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)nc1)Cc1ccccc1F ZINC001140546114 804458034 /nfs/dbraw/zinc/45/80/34/804458034.db2.gz UTGRMHCCZKNFJR-UHFFFAOYSA-N 1 1 269.323 3.114 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC=C(c3ccccc3)CC2)cn1 ZINC001140545873 804458047 /nfs/dbraw/zinc/45/80/47/804458047.db2.gz NTPFXBMFNWVQRU-UHFFFAOYSA-N 1 1 275.355 3.243 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC=C(c3ccccc3)CC2)cn1 ZINC001140545873 804458049 /nfs/dbraw/zinc/45/80/49/804458049.db2.gz NTPFXBMFNWVQRU-UHFFFAOYSA-N 1 1 275.355 3.243 20 30 CGEDMO N#Cc1ccc(Cl)c(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c1 ZINC001140600009 804471258 /nfs/dbraw/zinc/47/12/58/804471258.db2.gz ZPHUUWLAVYANLV-BBRMVZONSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1ccc(Cl)c(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC001140599819 804471601 /nfs/dbraw/zinc/47/16/01/804471601.db2.gz SAQNQYFANTWXJF-BETUJISGSA-N 1 1 260.768 3.444 20 30 CGEDMO C[C@@H]1CN[C@@H](C)C[N@@H+]1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246688969 804497177 /nfs/dbraw/zinc/49/71/77/804497177.db2.gz IRHZCYAKCXYGQV-WINGESFGSA-N 1 1 297.446 3.267 20 30 CGEDMO C[C@@H]1C[NH2+][C@@H](C)CN1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246688969 804497181 /nfs/dbraw/zinc/49/71/81/804497181.db2.gz IRHZCYAKCXYGQV-WINGESFGSA-N 1 1 297.446 3.267 20 30 CGEDMO N#Cc1c(F)cc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)cc1F ZINC001140752368 804504805 /nfs/dbraw/zinc/50/48/05/804504805.db2.gz KQKOTWFANXUTQZ-OLZOCXBDSA-N 1 1 276.330 3.458 20 30 CGEDMO N#CC[C@@H]1CCCN([C@@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256919350 807010804 /nfs/dbraw/zinc/01/08/04/807010804.db2.gz CWURJRMSSAXXHQ-DOTOQJQBSA-N 1 1 275.440 3.019 20 30 CGEDMO COCC[C@@H]1CCCC[N@H+]1Cc1cc(F)c(C#N)c(F)c1 ZINC001140753354 804506904 /nfs/dbraw/zinc/50/69/04/804506904.db2.gz FCPCWMNALNELOJ-ZDUSSCGKSA-N 1 1 294.345 3.227 20 30 CGEDMO CCCCN(CC#N)[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256922163 807013444 /nfs/dbraw/zinc/01/34/44/807013444.db2.gz IEOSAIQSJJZCSR-INIZCTEOSA-N 1 1 263.429 3.019 20 30 CGEDMO CC(C)C[C@H]([NH2+]C1CCC(C#N)CC1)C(=O)OC(C)(C)C ZINC001256953750 807014968 /nfs/dbraw/zinc/01/49/68/807014968.db2.gz MQAUACFNVXFQIN-NRXISQOPSA-N 1 1 294.439 3.415 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(OC(F)(F)F)c(F)c1 ZINC001140886848 804540294 /nfs/dbraw/zinc/54/02/94/804540294.db2.gz JQMVJDTVQXZYPU-UHFFFAOYSA-N 1 1 263.234 3.342 20 30 CGEDMO N#CC1CCC([N@H+]2CCCN(Cc3ccccc3)CC2)CC1 ZINC001256968925 807019673 /nfs/dbraw/zinc/01/96/73/807019673.db2.gz SJNHHQGSSWNRPV-UHFFFAOYSA-N 1 1 297.446 3.277 20 30 CGEDMO COc1ccc(CC[N@@H+](C)C2CCC(C#N)CC2)cc1 ZINC001256969703 807021382 /nfs/dbraw/zinc/02/13/82/807021382.db2.gz NCIYRIXLSFXIGF-UHFFFAOYSA-N 1 1 272.392 3.252 20 30 CGEDMO N#Cc1c(N)sc(C[N@H+]2CCC[C@H](F)CC2)c1Cl ZINC001141107051 804590369 /nfs/dbraw/zinc/59/03/69/804590369.db2.gz NZGAMCCFRHPNJU-QMMMGPOBSA-N 1 1 287.791 3.179 20 30 CGEDMO COC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1C#N ZINC001141166416 804603588 /nfs/dbraw/zinc/60/35/88/804603588.db2.gz MPIDSFFUHBZJBT-HNNXBMFYSA-N 1 1 276.355 3.087 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+](C1CCC1)[C@H]1CCCNC1 ZINC001246987688 804629721 /nfs/dbraw/zinc/62/97/21/804629721.db2.gz OAZUGKWNQNXKRZ-BEFAXECRSA-N 1 1 297.446 3.096 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C1CCC1)[C@H]1CCCNC1 ZINC001246987688 804629725 /nfs/dbraw/zinc/62/97/25/804629725.db2.gz OAZUGKWNQNXKRZ-BEFAXECRSA-N 1 1 297.446 3.096 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+](C1CCC1)[C@H]1CCCNC1 ZINC001246989006 804629895 /nfs/dbraw/zinc/62/98/95/804629895.db2.gz QZJZCRQQCOQHMH-KXBFYZLASA-N 1 1 297.446 3.096 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C1CCC1)[C@H]1CCCNC1 ZINC001246989006 804629898 /nfs/dbraw/zinc/62/98/98/804629898.db2.gz QZJZCRQQCOQHMH-KXBFYZLASA-N 1 1 297.446 3.096 20 30 CGEDMO C=CC[NH+]1CCN(Cc2c[nH]c3cc(Cl)ccc23)CC1 ZINC001141583910 804654388 /nfs/dbraw/zinc/65/43/88/804654388.db2.gz XJYHQZBFNWRRLM-UHFFFAOYSA-N 1 1 289.810 3.125 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2coc3ccc(F)cc23)C1 ZINC001141854645 804673921 /nfs/dbraw/zinc/67/39/21/804673921.db2.gz KGKPGMNQMWFJQO-GFCCVEGCSA-N 1 1 257.308 3.417 20 30 CGEDMO CSc1nc(C[N@H+]2CC[C@@H](C)C[C@@H]2C)ccc1C#N ZINC001141941768 804679880 /nfs/dbraw/zinc/67/98/80/804679880.db2.gz XBIXMRNTJIXQOH-NEPJUHHUSA-N 1 1 275.421 3.296 20 30 CGEDMO CSc1nc(C[N@H+]2CCCC[C@H](C)C2)ccc1C#N ZINC001141929208 804680839 /nfs/dbraw/zinc/68/08/39/804680839.db2.gz PPYZJGAKOGIGJE-LBPRGKRZSA-N 1 1 275.421 3.297 20 30 CGEDMO CSc1nc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)ccc1C#N ZINC001141932221 804680985 /nfs/dbraw/zinc/68/09/85/804680985.db2.gz VRRNBTQJMXWAAF-OCCSQVGLSA-N 1 1 287.432 3.297 20 30 CGEDMO C=CC[N@H+](Cc1ccc(Cl)nn1)C1CCCCC1 ZINC001142076658 804694154 /nfs/dbraw/zinc/69/41/54/804694154.db2.gz SHTCABAEYJIZIU-UHFFFAOYSA-N 1 1 265.788 3.451 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc2[nH]cnc21 ZINC001142687408 804757648 /nfs/dbraw/zinc/75/76/48/804757648.db2.gz RJAKVYRYVKPLED-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc2nc[nH]c21 ZINC001142687408 804757650 /nfs/dbraw/zinc/75/76/50/804757650.db2.gz RJAKVYRYVKPLED-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc2nc[nH]c21 ZINC001142687408 804757653 /nfs/dbraw/zinc/75/76/53/804757653.db2.gz RJAKVYRYVKPLED-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH3+])c1nc(-c2cc(Cl)ccc2C)no1 ZINC001247621298 804781124 /nfs/dbraw/zinc/78/11/24/804781124.db2.gz QZDQKPSYAAUFIA-YMTOWFKASA-N 1 1 275.739 3.058 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cc(F)cc(C)c2F)no1 ZINC001247622329 804783348 /nfs/dbraw/zinc/78/33/48/804783348.db2.gz JEZJSJIXEHYHRA-LLVKDONJSA-N 1 1 279.290 3.289 20 30 CGEDMO N#Cc1ccc2c(C[N@H+]3C[C@H]4CC[C@@H]3C4)c[nH]c2c1 ZINC001142922284 804784766 /nfs/dbraw/zinc/78/47/66/804784766.db2.gz AITGHUHWAQLAOI-GXTWGEPZSA-N 1 1 251.333 3.024 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cccc3ccncc32)no1 ZINC001247623051 804784740 /nfs/dbraw/zinc/78/47/40/804784740.db2.gz WGSPNFIAVPOZDT-CQSZACIVSA-N 1 1 280.331 3.251 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H]3CCC[C@H]3C2)c1F ZINC001143167227 804814893 /nfs/dbraw/zinc/81/48/93/804814893.db2.gz RMNSJVKSSAXGJZ-YPMHNXCESA-N 1 1 276.330 3.458 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@H]3CCC[C@H]3C2)c1F ZINC001143167227 804814900 /nfs/dbraw/zinc/81/49/00/804814900.db2.gz RMNSJVKSSAXGJZ-YPMHNXCESA-N 1 1 276.330 3.458 20 30 CGEDMO N#Cc1ccc(-c2noc([C@H]([NH3+])C3CC3)n2)c2ccccc12 ZINC001247823948 804843726 /nfs/dbraw/zinc/84/37/26/804843726.db2.gz ODBHNXOIYVAYLM-OAHLLOKOSA-N 1 1 290.326 3.171 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(F)c(OC(F)(F)F)c1 ZINC001143442731 804852246 /nfs/dbraw/zinc/85/22/46/804852246.db2.gz JUSMBLQLUSMQCF-UHFFFAOYSA-N 1 1 263.234 3.342 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2cccc3occc32)no1 ZINC001247963665 804857162 /nfs/dbraw/zinc/85/71/62/804857162.db2.gz RUDTUGRLWWWJJS-NSHDSACASA-N 1 1 255.277 3.059 20 30 CGEDMO C#CC1CC[NH+](Cc2c(F)c(F)ccc2OCC)CC1 ZINC001143496958 804858019 /nfs/dbraw/zinc/85/80/19/804858019.db2.gz FWUSAEIADYVSLP-UHFFFAOYSA-N 1 1 279.330 3.209 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2ccccc2C(F)(F)F)no1 ZINC001247966692 804859056 /nfs/dbraw/zinc/85/90/56/804859056.db2.gz DFMHPBBUHMEBDJ-JTQLQIEISA-N 1 1 283.253 3.331 20 30 CGEDMO Cc1cc(C[NH+]2CCC(C)(C#N)CC2)cc(F)c1F ZINC001143609623 804875310 /nfs/dbraw/zinc/87/53/10/804875310.db2.gz GBDREGUGSKTFKF-UHFFFAOYSA-N 1 1 264.319 3.399 20 30 CGEDMO C[N@@H+](Cc1c(Cl)cccc1C#N)CC1CCOCC1 ZINC001143716801 804888086 /nfs/dbraw/zinc/88/80/86/804888086.db2.gz VYUAJHWNPYAOAS-UHFFFAOYSA-N 1 1 278.783 3.070 20 30 CGEDMO C[N@H+](Cc1c(Cl)cccc1C#N)CC1CCOCC1 ZINC001143716801 804888093 /nfs/dbraw/zinc/88/80/93/804888093.db2.gz VYUAJHWNPYAOAS-UHFFFAOYSA-N 1 1 278.783 3.070 20 30 CGEDMO COCCC1CC[NH+](Cc2c(Cl)cccc2C#N)CC1 ZINC001143726605 804888712 /nfs/dbraw/zinc/88/87/12/804888712.db2.gz UPWGRFLAUMATIU-UHFFFAOYSA-N 1 1 292.810 3.460 20 30 CGEDMO Cc1c(F)cc(F)cc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001143763957 804893746 /nfs/dbraw/zinc/89/37/46/804893746.db2.gz HECINMDEKNNBJI-LBPRGKRZSA-N 1 1 264.319 3.399 20 30 CGEDMO Cc1c(F)cc(F)cc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001143763957 804893754 /nfs/dbraw/zinc/89/37/54/804893754.db2.gz HECINMDEKNNBJI-LBPRGKRZSA-N 1 1 264.319 3.399 20 30 CGEDMO C#CC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC001143914408 804905568 /nfs/dbraw/zinc/90/55/68/804905568.db2.gz OZBWZSWEIRRJRN-UHFFFAOYSA-N 1 1 270.376 3.023 20 30 CGEDMO CC[N@@H+](Cc1ccc(F)cc1)Cc1cncc(C#N)c1 ZINC001144083880 804935586 /nfs/dbraw/zinc/93/55/86/804935586.db2.gz VDYZWVUYCBMHMD-UHFFFAOYSA-N 1 1 269.323 3.114 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001248748293 804981989 /nfs/dbraw/zinc/98/19/89/804981989.db2.gz DXSDQMSELLWPHY-ROUUACIJSA-N 1 1 284.403 3.122 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CC[C@@H]2COCc2ccccc2)cc1 ZINC001144573973 805008948 /nfs/dbraw/zinc/00/89/48/805008948.db2.gz WNLNLKORJUMAAV-HXUWFJFHSA-N 1 1 291.394 3.459 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cn(C)c3ccnc(Cl)c23)C1 ZINC001248837455 805015315 /nfs/dbraw/zinc/01/53/15/805015315.db2.gz DFHABVMSEZKEER-LBPRGKRZSA-N 1 1 287.794 3.072 20 30 CGEDMO C#CC[N@H+](C)Cc1cnc2cc(Br)ccc2c1 ZINC001248867597 805025776 /nfs/dbraw/zinc/02/57/76/805025776.db2.gz WZUXBVMWPLBUHK-UHFFFAOYSA-N 1 1 289.176 3.062 20 30 CGEDMO C=CCCCCCCCCC(=O)N1CC[N@H+]2CC[C@H]2C1 ZINC001144798055 805056026 /nfs/dbraw/zinc/05/60/26/805056026.db2.gz ZKSRNOZWUHLQTA-INIZCTEOSA-N 1 1 278.440 3.210 20 30 CGEDMO N#Cc1ccn2ncc(C[N@H+]3CC[C@H]4CCCC[C@@H]4C3)c2c1 ZINC001249118960 805093207 /nfs/dbraw/zinc/09/32/07/805093207.db2.gz NOTHCCWIZWDOTR-HZPDHXFCSA-N 1 1 294.402 3.218 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)C[C@H](C)CCC)C2)C1 ZINC001147165461 805113377 /nfs/dbraw/zinc/11/33/77/805113377.db2.gz GXLUNLDWBQGLKD-CYBMUJFWSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)C[C@H](C)CCC)C2)C1 ZINC001147165461 805113383 /nfs/dbraw/zinc/11/33/83/805113383.db2.gz GXLUNLDWBQGLKD-CYBMUJFWSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)C[C@H](C)CCC)C2)C1 ZINC001147211443 805115784 /nfs/dbraw/zinc/11/57/84/805115784.db2.gz BAONRJGYPWTNCY-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(CN(C(=O)C[C@H](C)C(C)C)C2)C1 ZINC001147244073 805117833 /nfs/dbraw/zinc/11/78/33/805117833.db2.gz AKJPDQHANAEMTM-INIZCTEOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)/C=C(/C)CC)C2)C1 ZINC001147491375 805134817 /nfs/dbraw/zinc/13/48/17/805134817.db2.gz WUHUDDVEYLDLLU-UVQBRAAOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C[C@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@H+](CCCCC)C2 ZINC001148095211 805162049 /nfs/dbraw/zinc/16/20/49/805162049.db2.gz DXAWUKUQXIMHNI-HOTGVXAUSA-N 1 1 292.467 3.169 20 30 CGEDMO N#Cc1cc(Nc2cc[nH+]cc2C(F)(F)F)cs1 ZINC001249587307 805182945 /nfs/dbraw/zinc/18/29/45/805182945.db2.gz OUWXDFWMNMZHTH-UHFFFAOYSA-N 1 1 269.251 3.199 20 30 CGEDMO C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@](C)(CC)CCC)C2)C1 ZINC001148492569 805187941 /nfs/dbraw/zinc/18/79/41/805187941.db2.gz MFKACRHLMJOGAY-QGZVFWFLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@H](C)[C@@H](C)CC)C2)C1 ZINC001148501586 805190893 /nfs/dbraw/zinc/19/08/93/805190893.db2.gz SNMCCOYPFYNBCO-JKSUJKDBSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C)[C@@H](C)CC)C2)C1 ZINC001148502270 805191946 /nfs/dbraw/zinc/19/19/46/805191946.db2.gz WXOOIEHEANJDRO-HOTGVXAUSA-N 1 1 292.467 3.169 20 30 CGEDMO CCCCCCCNC(=S)N1CC[N@H+]2CCCC[C@H]2C1 ZINC001249635297 805195907 /nfs/dbraw/zinc/19/59/07/805195907.db2.gz ANAGWLXCYUNCSP-HNNXBMFYSA-N 1 1 297.512 3.001 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](F)C(F)(F)CC2)c1F ZINC001249672123 805209516 /nfs/dbraw/zinc/20/95/16/805209516.db2.gz SFNIUZUQCQYJRR-GFCCVEGCSA-N 1 1 286.272 3.267 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](F)C(F)(F)CC2)c1F ZINC001249672123 805209524 /nfs/dbraw/zinc/20/95/24/805209524.db2.gz SFNIUZUQCQYJRR-GFCCVEGCSA-N 1 1 286.272 3.267 20 30 CGEDMO COC(C)(C)[C@@H]1CCC[N@H+]1Cc1cccc(C#N)c1F ZINC001249685220 805211784 /nfs/dbraw/zinc/21/17/84/805211784.db2.gz GGSRYUUFEVDVKB-AWEZNQCLSA-N 1 1 276.355 3.087 20 30 CGEDMO CC(C)[N@@H+](CCCCCO)Cc1cccc(C#N)c1F ZINC001249693691 805214820 /nfs/dbraw/zinc/21/48/20/805214820.db2.gz OUPMBKMZBLMHGJ-UHFFFAOYSA-N 1 1 278.371 3.070 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)c1cccc(F)c1 ZINC001151659508 805305420 /nfs/dbraw/zinc/30/54/20/805305420.db2.gz NVTJAJGOYWJTOP-CQSZACIVSA-N 1 1 292.398 3.232 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)CC1CCCCC1 ZINC001151747833 805310259 /nfs/dbraw/zinc/31/02/59/805310259.db2.gz BEIHOSSDNRCXQG-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO CN(C)c1cc(F)cc(C[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC001249953186 805323421 /nfs/dbraw/zinc/32/34/21/805323421.db2.gz NPFBEBNCELRZCH-UHFFFAOYSA-N 1 1 297.377 3.395 20 30 CGEDMO CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)c1ccon1 ZINC001152109264 805333930 /nfs/dbraw/zinc/33/39/30/805333930.db2.gz CNTIANVALJOAMA-CQSZACIVSA-N 1 1 295.427 3.085 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)CC ZINC001153007134 805379122 /nfs/dbraw/zinc/37/91/22/805379122.db2.gz MXWRMYKYFBZDFQ-LSDHHAIUSA-N 1 1 268.445 3.215 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)CC(C)(C)CC ZINC001153567228 805403218 /nfs/dbraw/zinc/40/32/18/805403218.db2.gz SXASEAHHAMYIRG-CQSZACIVSA-N 1 1 268.445 3.215 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1cccc(C)c1F ZINC001153492205 805398043 /nfs/dbraw/zinc/39/80/43/805398043.db2.gz UWHUXPDKJHIKJI-CQSZACIVSA-N 1 1 292.398 3.150 20 30 CGEDMO C=CCC(CC=C)C(=O)NC[C@@H](C)[N@@H+](CC)CC1CCC1 ZINC001153560754 805401477 /nfs/dbraw/zinc/40/14/77/805401477.db2.gz ICUCJGGEULRBAT-OAHLLOKOSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1cc(C)sc1C ZINC001154205218 805439041 /nfs/dbraw/zinc/43/90/41/805439041.db2.gz IPEXHKHVGIGBHP-GFCCVEGCSA-N 1 1 294.464 3.381 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)C1(CC(C)C)CCC1 ZINC001154257272 805444931 /nfs/dbraw/zinc/44/49/31/805444931.db2.gz LMHLPRMVUFVZCV-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)CC=C(C)C ZINC001154584503 805465097 /nfs/dbraw/zinc/46/50/97/805465097.db2.gz KNMGWAMOQVEPTC-OAHLLOKOSA-N 1 1 280.456 3.382 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@]1(C)C=CCC1 ZINC001154699108 805478457 /nfs/dbraw/zinc/47/84/57/805478457.db2.gz JCOFGNVMFSAHRA-WBVHZDCISA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)C1(CC)CCC1 ZINC001154724860 805481377 /nfs/dbraw/zinc/48/13/77/805481377.db2.gz QGVBFZRRKILBMR-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)CC1CC(C)(C)C1 ZINC001154805925 805490451 /nfs/dbraw/zinc/49/04/51/805490451.db2.gz FFZRMFZQBDDXBJ-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)CC2CCC2)CC1 ZINC001155028166 805526354 /nfs/dbraw/zinc/52/63/54/805526354.db2.gz PQDBYTINJCWZQT-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO N#CCC1(N[C@H]2CCC[N@H+](C3CCCC3)C2)CCCC1 ZINC001256911840 807008417 /nfs/dbraw/zinc/00/84/17/807008417.db2.gz VVJCAMGVELAHFC-HNNXBMFYSA-N 1 1 275.440 3.209 20 30 CGEDMO N#CCC1([NH2+][C@H]2CCCN(C3CCCC3)C2)CCCC1 ZINC001256911840 807008425 /nfs/dbraw/zinc/00/84/25/807008425.db2.gz VVJCAMGVELAHFC-HNNXBMFYSA-N 1 1 275.440 3.209 20 30 CGEDMO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](C(CC)CC)C2 ZINC001257296673 807092959 /nfs/dbraw/zinc/09/29/59/807092959.db2.gz LVPCGNZBYRNTEX-DLBZAZTESA-N 1 1 281.440 3.249 20 30 CGEDMO CN(CCc1ccc(F)cc1)c1[nH+]ccc2[nH]cc(C#N)c21 ZINC001166821319 807104619 /nfs/dbraw/zinc/10/46/19/807104619.db2.gz UJCKZYIIKPLVMX-UHFFFAOYSA-N 1 1 294.333 3.253 20 30 CGEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@H+](C1CCCC1)CCO2 ZINC001257350577 807118917 /nfs/dbraw/zinc/11/89/17/807118917.db2.gz FTULCSRNJNKRMR-DOTOQJQBSA-N 1 1 279.424 3.003 20 30 CGEDMO C=CC[C@@](C)([NH2+][C@H](C)CCCCCC)C(=O)OC ZINC001257358516 807121923 /nfs/dbraw/zinc/12/19/23/807121923.db2.gz FRJYBMMYVDCVAA-UKRRQHHQSA-N 1 1 255.402 3.443 20 30 CGEDMO CCCCOC(=O)CC[C@@H](C)[N@H+]1CCC[C@@H](C#N)CC1 ZINC001257400211 807138498 /nfs/dbraw/zinc/13/84/98/807138498.db2.gz LLRFDTGGYGRPHO-HUUCEWRRSA-N 1 1 280.412 3.124 20 30 CGEDMO C=CCN(Cc1ccccc1)c1nc(NC2CC2)cc[nH+]1 ZINC001167123335 807156100 /nfs/dbraw/zinc/15/61/00/807156100.db2.gz XVCJSLMEQKFWHD-UHFFFAOYSA-N 1 1 280.375 3.244 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H](C)CC)[C@H]2CC ZINC001257439600 807156639 /nfs/dbraw/zinc/15/66/39/807156639.db2.gz IYZVAWYIQIWCMA-VYDXJSESSA-N 1 1 278.440 3.207 20 30 CGEDMO C=CCN1C(=O)CCC[C@@]12CCC[N@H+](C1CCCCC1)C2 ZINC001257455593 807165932 /nfs/dbraw/zinc/16/59/32/807165932.db2.gz JFPBCXCOVOPIMU-SFHVURJKSA-N 1 1 290.451 3.352 20 30 CGEDMO CCCCCCCCCC[C@H](C)[N@H+](CCN)CCO ZINC001257546932 807194827 /nfs/dbraw/zinc/19/48/27/807194827.db2.gz JVBLIZMJTZLMCH-INIZCTEOSA-N 1 1 272.477 3.159 20 30 CGEDMO CCCCCCCCCC[C@H](C)[N@@H+](CCN)CCO ZINC001257546932 807194828 /nfs/dbraw/zinc/19/48/28/807194828.db2.gz JVBLIZMJTZLMCH-INIZCTEOSA-N 1 1 272.477 3.159 20 30 CGEDMO CCCCCCCCCC[C@@H](C)[N@H+]1CCO[C@H](C(N)=O)C1 ZINC001257550155 807196146 /nfs/dbraw/zinc/19/61/46/807196146.db2.gz JUKYIRHZOYSFTM-CVEARBPZSA-N 1 1 298.471 3.092 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC001167499591 807199438 /nfs/dbraw/zinc/19/94/38/807199438.db2.gz LNMHWADNQLKCCW-FUHWJXTLSA-N 1 1 271.404 3.327 20 30 CGEDMO Cc1cccc([C@@H](O)C[N@@H+](CCC#N)CCC(C)C)c1 ZINC001167558070 807205270 /nfs/dbraw/zinc/20/52/70/807205270.db2.gz FCQGKJJKWRWEQC-KRWDZBQOSA-N 1 1 274.408 3.290 20 30 CGEDMO Cc1cccc([C@@H](O)C[N@H+](CCC#N)CCC(C)C)c1 ZINC001167558070 807205272 /nfs/dbraw/zinc/20/52/72/807205272.db2.gz FCQGKJJKWRWEQC-KRWDZBQOSA-N 1 1 274.408 3.290 20 30 CGEDMO CSc1c[nH]c2nc[nH+]c(NCc3ccccc3C#N)c12 ZINC001167632907 807219745 /nfs/dbraw/zinc/21/97/45/807219745.db2.gz FTRNDJVEVGFXNJ-UHFFFAOYSA-N 1 1 295.371 3.115 20 30 CGEDMO N#Cc1ccccc1CNc1cc2[nH+]c[nH]c2cc1F ZINC001167633038 807220148 /nfs/dbraw/zinc/22/01/48/807220148.db2.gz FMOUIXXUKZHCAD-UHFFFAOYSA-N 1 1 266.279 3.186 20 30 CGEDMO C=C1C[C@@H]2CC([NH2+][C@H]3C[C@H]4CC[C@@H](C3)N4C)C[C@H](C1)C2 ZINC001257886421 807237234 /nfs/dbraw/zinc/23/72/34/807237234.db2.gz FUKBYZDKIACZGW-PXNKLJNBSA-N 1 1 274.452 3.336 20 30 CGEDMO C=C1C[C@@H]2CC([NH2+][C@H](CCCC)C(=O)OC)C[C@H](C1)C2 ZINC001257887797 807238958 /nfs/dbraw/zinc/23/89/58/807238958.db2.gz KNNUYNBTUMGNFM-VFSICIBPSA-N 1 1 279.424 3.443 20 30 CGEDMO C=C1C[C@@H]2CC([NH2+]CC(=O)OCc3ccccc3)C[C@H](C1)C2 ZINC001257887244 807238965 /nfs/dbraw/zinc/23/89/65/807238965.db2.gz YLDOPPZFIFGDKV-JWTNVVGKSA-N 1 1 299.414 3.454 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCCNc1cc(C#N)cc(C#N)c1 ZINC001167752977 807242434 /nfs/dbraw/zinc/24/24/34/807242434.db2.gz KRMMPQRHOCJOMU-AWEZNQCLSA-N 1 1 282.391 3.106 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CC[C@@]4(CCCO4)C3)C[C@H](C1)C2 ZINC001257891922 807242842 /nfs/dbraw/zinc/24/28/42/807242842.db2.gz QUEVXBGXVSISTB-WFVVYAPDSA-N 1 1 261.409 3.376 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCC[C@](C)(O)CC3)C[C@H](C1)C2 ZINC001257892458 807242912 /nfs/dbraw/zinc/24/29/12/807242912.db2.gz YVXXNCDXEDUTPG-WFVVYAPDSA-N 1 1 263.425 3.358 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCC[C@@H](n4cncn4)C3)C[C@H](C1)C2 ZINC001257895171 807245453 /nfs/dbraw/zinc/24/54/53/807245453.db2.gz KCFLXKUEPSOMNN-LVYZTWJOSA-N 1 1 286.423 3.050 20 30 CGEDMO CCCCCCC[C@H](C)[NH2+]Cc1nnc(C(=O)OCC)o1 ZINC001258042157 807272791 /nfs/dbraw/zinc/27/27/91/807272791.db2.gz IFXRIGBLPNAPBH-LBPRGKRZSA-N 1 1 297.399 3.085 20 30 CGEDMO CCCCCCC[C@@H](C)[N@@H+]1CCO[C@H](C(C)=O)C1 ZINC001258051214 807276775 /nfs/dbraw/zinc/27/67/75/807276775.db2.gz CJEKWYHEOHBOHV-HIFRSBDPSA-N 1 1 255.402 3.025 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1CCO[C@H](C(C)=O)C1 ZINC001258051214 807276784 /nfs/dbraw/zinc/27/67/84/807276784.db2.gz CJEKWYHEOHBOHV-HIFRSBDPSA-N 1 1 255.402 3.025 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)NC)C1 ZINC001258050810 807276829 /nfs/dbraw/zinc/27/68/29/807276829.db2.gz YGHWNFDPGMOFJY-CABCVRRESA-N 1 1 283.460 3.129 20 30 CGEDMO C=CC[NH2+]C1C[C@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168022501 807300534 /nfs/dbraw/zinc/30/05/34/807300534.db2.gz SMUZZWGMWMSTII-GJZGRUSLSA-N 1 1 258.409 3.204 20 30 CGEDMO CC1CCC([N@H+]2CCCN(c3ccc(C#N)cn3)CC2)CC1 ZINC001168219001 807353227 /nfs/dbraw/zinc/35/32/27/807353227.db2.gz BQWPUWUNMWLNCS-UHFFFAOYSA-N 1 1 298.434 3.044 20 30 CGEDMO C#CC[N@H+](CCOc1ccccc1C(F)(F)F)CC1CC1 ZINC001168234917 807359078 /nfs/dbraw/zinc/35/90/78/807359078.db2.gz PAIOLEIXSFWDJV-UHFFFAOYSA-N 1 1 297.320 3.429 20 30 CGEDMO CSCC[C@H](C)[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001258214956 807369116 /nfs/dbraw/zinc/36/91/16/807369116.db2.gz KRVZGISMMZTGBI-LBPRGKRZSA-N 1 1 260.406 3.058 20 30 CGEDMO CCCCCCCCC[C@@H](C)[NH2+][C@H]1CCOC1=O ZINC001258230494 807379070 /nfs/dbraw/zinc/37/90/70/807379070.db2.gz WPSRECOZXZDJET-KGLIPLIRSA-N 1 1 255.402 3.421 20 30 CGEDMO C[C@@H]1C[C@@H]([N@H+]2CCC3SC(=O)C=C3C2)CC(C)(C)C1 ZINC001258697856 807552350 /nfs/dbraw/zinc/55/23/50/807552350.db2.gz SPADDAXGQCIBDH-MRVWCRGKSA-N 1 1 279.449 3.475 20 30 CGEDMO CCCCCCC[C@H](CC(C)C)[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC001258714941 807565465 /nfs/dbraw/zinc/56/54/65/807565465.db2.gz YHPPBRQIDUWVSH-KSZLIROESA-N 1 1 299.499 3.437 20 30 CGEDMO CCCCCCC[C@H](CC(C)C)[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC001258714943 807565469 /nfs/dbraw/zinc/56/54/69/807565469.db2.gz YHPPBRQIDUWVSH-KZNAEPCWSA-N 1 1 299.499 3.437 20 30 CGEDMO CCCCCCC[C@H](CC(C)C)[N@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC001258714944 807565634 /nfs/dbraw/zinc/56/56/34/807565634.db2.gz YHPPBRQIDUWVSH-RCCFBDPRSA-N 1 1 299.499 3.437 20 30 CGEDMO CCCCCCC[C@@H](CC(C)C)n1nnc(C[NH3+])n1 ZINC001258715936 807566753 /nfs/dbraw/zinc/56/67/53/807566753.db2.gz OMSLVRXEAAFMOI-ZDUSSCGKSA-N 1 1 267.421 3.080 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC001169080920 807569509 /nfs/dbraw/zinc/56/95/09/807569509.db2.gz XKVAZTHCZMWFQD-DOTOQJQBSA-N 1 1 259.393 3.285 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCC[C@@](C)(C(=O)OCC)C1 ZINC001258725799 807573590 /nfs/dbraw/zinc/57/35/90/807573590.db2.gz NFFYBLXLUSQKFB-GOEBONIOSA-N 1 1 267.413 3.396 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001258724719 807573627 /nfs/dbraw/zinc/57/36/27/807573627.db2.gz DCAWQNGDZWONOH-GMTAPVOTSA-N 1 1 253.283 3.421 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCn2c(COCC)cnc2[C@@H]1C ZINC001258728148 807574585 /nfs/dbraw/zinc/57/45/85/807574585.db2.gz MIUCYVUSEKNARV-KGLIPLIRSA-N 1 1 277.412 3.151 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CCn2c(COCC)cnc2[C@@H]1C ZINC001258728148 807574588 /nfs/dbraw/zinc/57/45/88/807574588.db2.gz MIUCYVUSEKNARV-KGLIPLIRSA-N 1 1 277.412 3.151 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001258727813 807575181 /nfs/dbraw/zinc/57/51/81/807575181.db2.gz JEIXHJITXDFFOV-MCIONIFRSA-N 1 1 280.412 3.035 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC001258730771 807577411 /nfs/dbraw/zinc/57/74/11/807577411.db2.gz NPTQTMRXRFCCOU-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CCC(=O)OC)Cc1ccccc1 ZINC001258730468 807577692 /nfs/dbraw/zinc/57/76/92/807577692.db2.gz HWGOWTHIKVIXHJ-HNNXBMFYSA-N 1 1 275.392 3.406 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC001258735081 807580538 /nfs/dbraw/zinc/58/05/38/807580538.db2.gz ODOFGSJNUYTLTR-NJAFHUGGSA-N 1 1 270.420 3.300 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCN(C(=O)c2ccccc2)C[C@H]1C ZINC001258736254 807581851 /nfs/dbraw/zinc/58/18/51/807581851.db2.gz PJDMJRDQPSLCEZ-JKSUJKDBSA-N 1 1 286.419 3.188 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](N2CCCCC2)[C@@H](F)C1 ZINC001258736432 807582385 /nfs/dbraw/zinc/58/23/85/807582385.db2.gz SPQBJFXDYIITMO-OWCLPIDISA-N 1 1 268.420 3.239 20 30 CGEDMO C=CCC[C@@H](C)N1CC[C@@H]([NH+]2CCCCC2)[C@@H](F)C1 ZINC001258736432 807582388 /nfs/dbraw/zinc/58/23/88/807582388.db2.gz SPQBJFXDYIITMO-OWCLPIDISA-N 1 1 268.420 3.239 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](N2Cc3ccccc3NC2=O)C1 ZINC001258736682 807583876 /nfs/dbraw/zinc/58/38/76/807583876.db2.gz YLKGPPJCBHQHOV-HOCLYGCPSA-N 1 1 299.418 3.463 20 30 CGEDMO CCCCCCCC[N@@H+](C)[C@H]1CC[C@H](C(=O)OCC)OC1 ZINC001169391663 807637918 /nfs/dbraw/zinc/63/79/18/807637918.db2.gz JAIUIYLBQYOJBT-JKSUJKDBSA-N 1 1 299.455 3.389 20 30 CGEDMO CC(C)Nc1cc[nH+]c(NC23CCC(C#N)(CC2)CC3)n1 ZINC001169743692 807701668 /nfs/dbraw/zinc/70/16/68/807701668.db2.gz LGCVUUQRNJIVAP-UHFFFAOYSA-N 1 1 285.395 3.325 20 30 CGEDMO CC(C)CCC[C@H](C)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001170079165 807748898 /nfs/dbraw/zinc/74/88/98/807748898.db2.gz YAGASDWVSQUQTG-GXTWGEPZSA-N 1 1 267.438 3.475 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1CC[C@@H](c2ccccc2)C1=O ZINC001261656120 807773440 /nfs/dbraw/zinc/77/34/40/807773440.db2.gz PVZNMYRTAKSVKK-KSZLIROESA-N 1 1 296.414 3.143 20 30 CGEDMO C[C@@H]1C[N@H+](C2CCC(C#N)(c3ccccc3)CC2)[C@@H](C)CO1 ZINC001170398688 807834077 /nfs/dbraw/zinc/83/40/77/807834077.db2.gz UGNOMIUIIRESNQ-HEZAVNPASA-N 1 1 298.430 3.500 20 30 CGEDMO C[N@H+](CCC#N)[C@@H]1CCc2ccc(Br)cc2C1 ZINC001170870102 807924487 /nfs/dbraw/zinc/92/44/87/807924487.db2.gz VPQPLFSWGNMJCZ-CQSZACIVSA-N 1 1 293.208 3.152 20 30 CGEDMO C[N@@H+](CCC#N)[C@@H]1CCc2ccc(Br)cc2C1 ZINC001170870102 807924490 /nfs/dbraw/zinc/92/44/90/807924490.db2.gz VPQPLFSWGNMJCZ-CQSZACIVSA-N 1 1 293.208 3.152 20 30 CGEDMO SCCCNc1cc[nH+]c2ccc(Br)cc12 ZINC001171002007 807956074 /nfs/dbraw/zinc/95/60/74/807956074.db2.gz BDJGFMNTDVOPQA-UHFFFAOYSA-N 1 1 297.221 3.151 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1N[C@@H]1CCc2c1cccc2C#N ZINC001171062501 807977512 /nfs/dbraw/zinc/97/75/12/807977512.db2.gz FDSKIVUKQZSHEE-MRXNPFEDSA-N 1 1 292.386 3.427 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCCC1CC1 ZINC001263807727 808006275 /nfs/dbraw/zinc/00/62/75/808006275.db2.gz QDTYVQVIHHIDMT-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@H](F)CC1 ZINC001171203710 808008656 /nfs/dbraw/zinc/00/86/56/808008656.db2.gz PGWROKOWIBIKOC-CJNGLKHVSA-N 1 1 260.356 3.313 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@H](F)CC1 ZINC001171203708 808009148 /nfs/dbraw/zinc/00/91/48/808009148.db2.gz PGWROKOWIBIKOC-BBRMVZONSA-N 1 1 260.356 3.313 20 30 CGEDMO Cc1nc2c(s1)C[N@@H+]([C@H](C)Cc1cccc(C#N)c1)CC2 ZINC001171220670 808010311 /nfs/dbraw/zinc/01/03/11/808010311.db2.gz AUEZSXMASLRYIG-GFCCVEGCSA-N 1 1 297.427 3.313 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](CC1CC1)C1CC1 ZINC001171229838 808013517 /nfs/dbraw/zinc/01/35/17/808013517.db2.gz QWEZGEUWJPHQRM-CYBMUJFWSA-N 1 1 254.377 3.364 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001171225120 808014273 /nfs/dbraw/zinc/01/42/73/808014273.db2.gz XUHIBMLNHKWJGM-SWLSCSKDSA-N 1 1 276.330 3.220 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC001171308680 808024662 /nfs/dbraw/zinc/02/46/62/808024662.db2.gz SMCSRJUCPDWFIQ-CQSZACIVSA-N 1 1 292.220 3.479 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C(CC)CC)C(C)(C)[C@@H]21 ZINC001264030966 808029188 /nfs/dbraw/zinc/02/91/88/808029188.db2.gz ZJSJHZHJXNSRFL-BZUAXINKSA-N 1 1 292.467 3.214 20 30 CGEDMO N#CC[C@H]1CCC[N@H+]([C@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001171380914 808040449 /nfs/dbraw/zinc/04/04/49/808040449.db2.gz POTOUJBEJXDEIY-DOMZBBRYSA-N 1 1 290.357 3.448 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@H]1C[N@H+](C)CC[C@@H](C)F ZINC001264180645 808043991 /nfs/dbraw/zinc/04/39/91/808043991.db2.gz LLQGXSFRWOYYIG-CABCVRRESA-N 1 1 284.419 3.014 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)/C=C/C(C)(C)C ZINC001264180402 808044037 /nfs/dbraw/zinc/04/40/37/808044037.db2.gz CIDRPTAIZOGMMY-NKSUMMKUSA-N 1 1 278.440 3.088 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCc2c(F)cccc2C1 ZINC001171438671 808057260 /nfs/dbraw/zinc/05/72/60/808057260.db2.gz UPWMMYXNYRZKHW-HNKHHVNMSA-N 1 1 284.378 3.450 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+]([C@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171493042 808075441 /nfs/dbraw/zinc/07/54/41/808075441.db2.gz LIJRLEAFIJJBOC-WFASDCNBSA-N 1 1 290.357 3.448 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)/C=C(/C)CC ZINC001264740246 808089484 /nfs/dbraw/zinc/08/94/84/808089484.db2.gz KRIXKZBGKCKRTO-KGAUPUERSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCCN1C(=O)CC1CC1 ZINC001264736150 808089618 /nfs/dbraw/zinc/08/96/18/808089618.db2.gz GBWTWXPUECGZMJ-RDJZCZTQSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C1CCC1 ZINC001264736547 808089896 /nfs/dbraw/zinc/08/98/96/808089896.db2.gz UOJMGHNAPZEZAY-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C#CCC[N@H+](CC)CCCNC(=O)[C@]1(C)CCC[C@@H]1CC ZINC001265119677 808111281 /nfs/dbraw/zinc/11/12/81/808111281.db2.gz NFPPEJHUSHCBBJ-FUHWJXTLSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)C2CC(C)C2)C1 ZINC001265209678 808119226 /nfs/dbraw/zinc/11/92/26/808119226.db2.gz BXYTYBKFQNJZAL-JCYILVPMSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)c2ccsc2)C1 ZINC001265203630 808119633 /nfs/dbraw/zinc/11/96/33/808119633.db2.gz NGMILODITXDWCM-ZFWWWQNUSA-N 1 1 292.448 3.297 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H](NC(=O)CCC2CCC2)C1 ZINC001265210535 808120459 /nfs/dbraw/zinc/12/04/59/808120459.db2.gz KVUCKCSNIVOYMF-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1Cc2cccc(F)c2C1 ZINC001171806235 808144365 /nfs/dbraw/zinc/14/43/65/808144365.db2.gz AOMVDOKWUSEVNO-REBRKWNGSA-N 1 1 270.351 3.059 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2cccc3nsnc32)C1 ZINC001171841382 808147877 /nfs/dbraw/zinc/14/78/77/808147877.db2.gz ODEAHZUYHIKZQX-GFCCVEGCSA-N 1 1 273.405 3.479 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCC[C@H]2C[N@@H+](CC)CC[C@@H]21 ZINC001265524450 808151255 /nfs/dbraw/zinc/15/12/55/808151255.db2.gz XYWILGNPEYQHQR-IRXDYDNUSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1CCC[N@H+](CCC(C)C)C1 ZINC001265584862 808156387 /nfs/dbraw/zinc/15/63/87/808156387.db2.gz WCRFTLSDWDCBHJ-INIZCTEOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C/C(C)=C/CC(=O)NC[C@@H]1CCC[N@H+](CCC(=C)C)C1 ZINC001265589205 808158037 /nfs/dbraw/zinc/15/80/37/808158037.db2.gz OEDUFXDWSUAUHA-BDBSJLECSA-N 1 1 290.451 3.303 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCCC[N@@H+]1CC1CC(C)(C)C1 ZINC001265641036 808163518 /nfs/dbraw/zinc/16/35/18/808163518.db2.gz OMJZUFNKMDTWAD-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO N#CCCN[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172064010 808170248 /nfs/dbraw/zinc/17/02/48/808170248.db2.gz DAFWTRUWZRBEJE-NNZMDNLPSA-N 1 1 283.419 3.075 20 30 CGEDMO C=CCCC(=O)NC[C@H](C)[NH2+]Cc1c(F)cccc1Cl ZINC001265759260 808178920 /nfs/dbraw/zinc/17/89/20/808178920.db2.gz SMAYUFRIXQVFOI-NSHDSACASA-N 1 1 298.789 3.040 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)[C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172188333 808191573 /nfs/dbraw/zinc/19/15/73/808191573.db2.gz GOPCNDOKZQVVRR-ZWKOTPCHSA-N 1 1 298.430 3.218 20 30 CGEDMO C=CC[N@@H+](C)CCCNC(=O)c1ccc(-c2ccccc2)o1 ZINC001265927387 808194723 /nfs/dbraw/zinc/19/47/23/808194723.db2.gz JVAJQYSXABIJFA-UHFFFAOYSA-N 1 1 298.386 3.184 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)CCCC)C1 ZINC001266090501 808209996 /nfs/dbraw/zinc/20/99/96/808209996.db2.gz LNMVVUVBOUBWJQ-JKSUJKDBSA-N 1 1 280.456 3.454 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]([N@H+](C)C[C@H](C)CC)C1 ZINC001266102459 808211023 /nfs/dbraw/zinc/21/10/23/808211023.db2.gz KOBUIWFFZUSDNT-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCCC1(F)F ZINC001172297574 808219964 /nfs/dbraw/zinc/21/99/64/808219964.db2.gz QBYWYYARADCTQK-FZMZJTMJSA-N 1 1 264.319 3.267 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC001172307200 808221572 /nfs/dbraw/zinc/22/15/72/808221572.db2.gz MYQSXYWJXWNBFG-DNVCBOLYSA-N 1 1 291.398 3.374 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H](c2ccccn2)C1 ZINC001172307999 808223082 /nfs/dbraw/zinc/22/30/82/808223082.db2.gz RYVNQXITWPKYQT-YJBOKZPZSA-N 1 1 291.398 3.374 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001172314651 808225197 /nfs/dbraw/zinc/22/51/97/808225197.db2.gz LDDWODRKBBNFIB-WQVCFCJDSA-N 1 1 290.357 3.466 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C#N)CC1 ZINC001172319561 808229058 /nfs/dbraw/zinc/22/90/58/808229058.db2.gz OSOVOJDFFQWPLV-GOEBONIOSA-N 1 1 267.376 3.115 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)C1(CC)CC1 ZINC001266231487 808229724 /nfs/dbraw/zinc/22/97/24/808229724.db2.gz JKCIJAOAOODLOD-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)CCCC(C)C)C1 ZINC001266239672 808231222 /nfs/dbraw/zinc/23/12/22/808231222.db2.gz GLXULHDZQIZAPR-INIZCTEOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)C=C2CCCCC2)C1 ZINC001266305026 808239308 /nfs/dbraw/zinc/23/93/08/808239308.db2.gz JBOWDAAETNEIMT-DOTOQJQBSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001266338835 808245491 /nfs/dbraw/zinc/24/54/91/808245491.db2.gz DQZDVVMRXKJHCL-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](CCC3CC3)C2)CCCC1 ZINC001266363430 808250398 /nfs/dbraw/zinc/25/03/98/808250398.db2.gz IRYPYCGGSAHURY-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO CCCCCCC[C@H](CC)[N@@H+](CC)CCC(N)=O ZINC001172353733 808251014 /nfs/dbraw/zinc/25/10/14/808251014.db2.gz AZBMPVQLRNNXTK-AWEZNQCLSA-N 1 1 256.434 3.323 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CCCC[C@@H]1C(N)=O ZINC001172355457 808251209 /nfs/dbraw/zinc/25/12/09/808251209.db2.gz OUAXWKRWSGEFGS-HUUCEWRRSA-N 1 1 268.445 3.465 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C ZINC001266400308 808258026 /nfs/dbraw/zinc/25/80/26/808258026.db2.gz HIFCOEHVMZXNBV-JKSUJKDBSA-N 1 1 292.467 3.239 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)CCCCCC)C1 ZINC001266473082 808272530 /nfs/dbraw/zinc/27/25/30/808272530.db2.gz WDLWNLNWDWCLJF-INIZCTEOSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@H]1CCC[N@@H+]1CC=C(C)C ZINC001266482690 808273541 /nfs/dbraw/zinc/27/35/41/808273541.db2.gz HCBNDUWUSKKDTM-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H](CC)C(C)(C)C ZINC001266487987 808274502 /nfs/dbraw/zinc/27/45/02/808274502.db2.gz AFARPYXEVJCXOZ-CVEARBPZSA-N 1 1 292.467 3.053 20 30 CGEDMO CC[C@H](CC(C)C)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001172404126 808292440 /nfs/dbraw/zinc/29/24/40/808292440.db2.gz YXBRCFVTDPGAHS-CHWSQXEVSA-N 1 1 253.411 3.085 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@H]2CC[N@H+](CC(CC)CC)C2)C1 ZINC001266533958 808282466 /nfs/dbraw/zinc/28/24/66/808282466.db2.gz ULFWZAPDUHWKPW-MRXNPFEDSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CCNC(=O)C1CCCC1)C1CC1 ZINC001266579339 808289801 /nfs/dbraw/zinc/28/98/01/808289801.db2.gz OKOCRBNNVSRNQG-AWEZNQCLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+](CCNC(=O)[C@H]1CCC=CCCC1)C1CC1 ZINC001266597083 808293737 /nfs/dbraw/zinc/29/37/37/808293737.db2.gz UXOHRISVESHFGF-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]2C[N@@H+](CC(=C)C)CC[C@H]21 ZINC001266659472 808303245 /nfs/dbraw/zinc/30/32/45/808303245.db2.gz PYBQWXHEFVAYSI-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCC[N@H+](CC(CC)CC)C1 ZINC001266743219 808310651 /nfs/dbraw/zinc/31/06/51/808310651.db2.gz KRQASSAYZSDJCL-INIZCTEOSA-N 1 1 280.456 3.217 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H](CNC(=O)C(F)F)C1 ZINC001266737636 808311037 /nfs/dbraw/zinc/31/10/37/808311037.db2.gz ZZTIJIWVFALEQU-ZDUSSCGKSA-N 1 1 290.398 3.050 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001266767613 808313185 /nfs/dbraw/zinc/31/31/85/808313185.db2.gz PDNMNQHCVLZHGN-CVEARBPZSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)C=C1CCCCC1 ZINC001266837184 808321093 /nfs/dbraw/zinc/32/10/93/808321093.db2.gz KOECSFOPFXHYJA-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](C)CC ZINC001266839460 808321659 /nfs/dbraw/zinc/32/16/59/808321659.db2.gz BAKWSADSIOQMAB-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001266893624 808332094 /nfs/dbraw/zinc/33/20/94/808332094.db2.gz CYORYQZDJQFOOT-ZBFHGGJFSA-N 1 1 292.467 3.215 20 30 CGEDMO CCOC(=O)[C@@]1(C)CCCC[N@H+]([C@@H](C)CCCC#N)C1 ZINC001172492266 808351495 /nfs/dbraw/zinc/35/14/95/808351495.db2.gz JULVLZJYTNXWER-HOCLYGCPSA-N 1 1 280.412 3.124 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001172494051 808353886 /nfs/dbraw/zinc/35/38/86/808353886.db2.gz QFEAWUFCDZOYRM-UONOGXRCSA-N 1 1 295.427 3.010 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)CCCC)C1 ZINC001267101459 808358033 /nfs/dbraw/zinc/35/80/33/808358033.db2.gz UOHYJUBMNSOKGQ-HNNXBMFYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@H](C)SC)C1 ZINC001267103097 808358772 /nfs/dbraw/zinc/35/87/72/808358772.db2.gz SDDSQJJIMYEXFJ-LSDHHAIUSA-N 1 1 298.496 3.017 20 30 CGEDMO C[C@@H](CCCC#N)[N@@H+](C1CCC1)C1CCOCC1 ZINC001172505363 808360107 /nfs/dbraw/zinc/36/01/07/808360107.db2.gz MDLYCOPEPMXFIY-ZDUSSCGKSA-N 1 1 250.386 3.102 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CCCNC(=O)/C=C(\C)CC ZINC001267164445 808371507 /nfs/dbraw/zinc/37/15/07/808371507.db2.gz JPPXEFBBZPHIFM-UTZKEFOASA-N 1 1 278.440 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)/C(C)=C\CC ZINC001267161452 808371612 /nfs/dbraw/zinc/37/16/12/808371612.db2.gz SFZIKJLGMYZSFJ-MVMZHWFQSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCC[N@H+](C)CCNC(=O)C[C@H](CC)C(C)(C)C ZINC001267225873 808386015 /nfs/dbraw/zinc/38/60/15/808386015.db2.gz GAURWOYXNXNHKE-AWEZNQCLSA-N 1 1 268.445 3.073 20 30 CGEDMO C#Cc1ccc(C(=O)NCC[N@H+](CC)CC/C=C/CC)cc1 ZINC001267247569 808394250 /nfs/dbraw/zinc/39/42/50/808394250.db2.gz ROXYGGINVMDHBA-BQYQJAHWSA-N 1 1 298.430 3.076 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)CC1CCCCC1 ZINC001267261995 808399322 /nfs/dbraw/zinc/39/93/22/808399322.db2.gz SZPBASLTOASKAL-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC[N@@H+]1CCC(C)C ZINC001267271686 808400557 /nfs/dbraw/zinc/40/05/57/808400557.db2.gz AGZRGSDSXJXNGE-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)C1(C)CCC1 ZINC001267271933 808400909 /nfs/dbraw/zinc/40/09/09/808400909.db2.gz FXNRJOGGENODRR-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO CC1(C)CC([N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC(C)(C)O1 ZINC001172658995 808412117 /nfs/dbraw/zinc/41/21/17/808412117.db2.gz KFUFRUYKHAYSQO-ZSOGYDGISA-N 1 1 276.424 3.489 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H]1CCC[C@@H](C(=O)OC)CC1 ZINC001172792431 808440619 /nfs/dbraw/zinc/44/06/19/808440619.db2.gz BEUDVLOMKRQXGL-ZIAGYGMSSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(CCC)C(=O)CC)C1 ZINC001267538753 808442876 /nfs/dbraw/zinc/44/28/76/808442876.db2.gz KIHPOQSXZWIFRL-HUUCEWRRSA-N 1 1 266.429 3.064 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(CCC)C(=O)C2CCC2)C1 ZINC001267539745 808442923 /nfs/dbraw/zinc/44/29/23/808442923.db2.gz PVCUCAWOZDYTDM-NVXWUHKLSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)CCC(C)C)C1 ZINC001267551736 808446611 /nfs/dbraw/zinc/44/66/11/808446611.db2.gz RCSUWDVMARMMAM-AWEZNQCLSA-N 1 1 286.847 3.003 20 30 CGEDMO C=CCCC[N@H+](C)CC1CCN(C(=O)/C=C(/C)CC)CC1 ZINC001267599642 808455265 /nfs/dbraw/zinc/45/52/65/808455265.db2.gz WTZJGTXLHNZNJD-PEZBUJJGSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@](C)(F)CCCC)C1 ZINC001267614885 808458502 /nfs/dbraw/zinc/45/85/02/808458502.db2.gz DXKUPCNJZRYQML-NVXWUHKLSA-N 1 1 298.446 3.452 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1CCC[N@@H+](C/C=C\Cl)C1 ZINC001267613384 808458562 /nfs/dbraw/zinc/45/85/62/808458562.db2.gz GTNXHNDEHHKKRF-IZIDJEDMSA-N 1 1 296.842 3.088 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1CCC[N@H+](C/C=C\Cl)C1 ZINC001267613384 808458564 /nfs/dbraw/zinc/45/85/64/808458564.db2.gz GTNXHNDEHHKKRF-IZIDJEDMSA-N 1 1 296.842 3.088 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C2(CC)CCC2)C1 ZINC001267618652 808458631 /nfs/dbraw/zinc/45/86/31/808458631.db2.gz SFIRNFGEPJIJHL-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001267618638 808458654 /nfs/dbraw/zinc/45/86/54/808458654.db2.gz VFACHZYTCVRFHT-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)CCCCC(C)(C)C)C1 ZINC001267613587 808458819 /nfs/dbraw/zinc/45/88/19/808458819.db2.gz NLSHYDFILHWUDB-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCCCC[NH+]1CC(NC(=O)c2c(C)coc2C)C1 ZINC001267643940 808464726 /nfs/dbraw/zinc/46/47/26/808464726.db2.gz AQGRGNFQMCCSKS-UHFFFAOYSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)CC(C)=C(C)C)C1 ZINC001267669740 808468389 /nfs/dbraw/zinc/46/83/89/808468389.db2.gz IIPLNBYGWVXEQP-KRWDZBQOSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](N(CC)C(=O)C2CCCC2)C1 ZINC001267778685 808489812 /nfs/dbraw/zinc/48/98/12/808489812.db2.gz FUNSRWRROJWADM-WBVHZDCISA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)C[C@H](C=C)CC)C1 ZINC001267792424 808493739 /nfs/dbraw/zinc/49/37/39/808493739.db2.gz ZOMHWEKNSJRTML-HZPDHXFCSA-N 1 1 278.440 3.088 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@H](C)CCN(C)C(=O)OC(C)(C)C ZINC001172963825 808495539 /nfs/dbraw/zinc/49/55/39/808495539.db2.gz JCBXPIBIXAWMQF-CQSZACIVSA-N 1 1 297.443 3.258 20 30 CGEDMO C=CCCCC[N@H+](C)[C@H]1CCc2ncsc2C1 ZINC001173140803 808525845 /nfs/dbraw/zinc/52/58/45/808525845.db2.gz JKUAPCRKBNYBHR-LBPRGKRZSA-N 1 1 250.411 3.289 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001268243891 808566399 /nfs/dbraw/zinc/56/63/99/808566399.db2.gz QRKWYWSHONYFTQ-OSYLJGHBSA-N 1 1 292.467 3.169 20 30 CGEDMO CC[C@@H]1CC[C@H]([N@H+]2CCc3ccc(C#N)cc3C2)C1 ZINC001173271687 808575811 /nfs/dbraw/zinc/57/58/11/808575811.db2.gz FXYUISSHVNCTCE-DYVFJYSZSA-N 1 1 254.377 3.495 20 30 CGEDMO C=CCCC[NH+]1CC(NC(=O)C2(C3CCCCC3)CC2)C1 ZINC001268478389 808591723 /nfs/dbraw/zinc/59/17/23/808591723.db2.gz GVUDMWQUPWBPLA-UHFFFAOYSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCOC1CCC([N@@H+](C)Cc2cccnc2)CC1 ZINC001173319706 808610104 /nfs/dbraw/zinc/61/01/04/808610104.db2.gz SECNVEKODILZTH-UHFFFAOYSA-N 1 1 260.381 3.027 20 30 CGEDMO C=CCOC1CCC([N@H+]2CCC[C@@H](OC)CC2)CC1 ZINC001173327573 808614550 /nfs/dbraw/zinc/61/45/50/808614550.db2.gz OQLMVOPHKZVWHG-HWOWSKLDSA-N 1 1 267.413 3.001 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)c1ccc(C)s1 ZINC001268719121 808614954 /nfs/dbraw/zinc/61/49/54/808614954.db2.gz GTZRLDNTKUFVLR-QWHCGFSZSA-N 1 1 294.464 3.461 20 30 CGEDMO N#CCC1CCC(N2CCC([NH+]3CCCC3)CC2)CC1 ZINC001173331424 808616178 /nfs/dbraw/zinc/61/61/78/808616178.db2.gz DFSAAGYKZYADKL-UHFFFAOYSA-N 1 1 275.440 3.019 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC=CCCC1 ZINC001268734690 808618099 /nfs/dbraw/zinc/61/80/99/808618099.db2.gz GGVHJJILAWZGNQ-HOTGVXAUSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCCC(=O)N[C@H](C)C[N@@H+](C)Cc1cccc(F)c1 ZINC001268743760 808619643 /nfs/dbraw/zinc/61/96/43/808619643.db2.gz UTLGEVGFPGZYOE-CQSZACIVSA-N 1 1 292.398 3.119 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](C/C=C/c2ccccc2)C1 ZINC001269029843 808643009 /nfs/dbraw/zinc/64/30/09/808643009.db2.gz PDMPVFYVVZTCFW-YOCVDRLZSA-N 1 1 298.430 3.247 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@H]1CC[N@H+](CC/C=C\CC)C1 ZINC001269056732 808644464 /nfs/dbraw/zinc/64/44/64/808644464.db2.gz JFLYGJVVYDWERW-FLELRFNZSA-N 1 1 278.440 3.136 20 30 CGEDMO CCOC(=O)[C@H]([NH2+]C1CCC(C)(C#N)CC1)[C@@H](C)CC ZINC001173591318 808648762 /nfs/dbraw/zinc/64/87/62/808648762.db2.gz YLJARHUDRWMDHX-PGOFDVKTSA-N 1 1 280.412 3.026 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CC[C@](C)(F)[C@@H](F)C2)CC1 ZINC001173594036 808649677 /nfs/dbraw/zinc/64/96/77/808649677.db2.gz POGLTDQDSFQHTA-YIOUJQMASA-N 1 1 256.340 3.231 20 30 CGEDMO CCOC(=O)[C@H]1CCCC[N@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173597749 808651363 /nfs/dbraw/zinc/65/13/63/808651363.db2.gz HVSVQZOEUGBDJA-UQPPLGOBSA-N 1 1 292.423 3.124 20 30 CGEDMO CC(C)[N@@H+](CCCCCO)C1CCC(C)(C#N)CC1 ZINC001173600334 808651435 /nfs/dbraw/zinc/65/14/35/808651435.db2.gz AWYBFSZGSIOEAN-UHFFFAOYSA-N 1 1 266.429 3.332 20 30 CGEDMO C=CCCC(=O)N(C)[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001269220709 808657712 /nfs/dbraw/zinc/65/77/12/808657712.db2.gz BDIFDNQLCGHUAG-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@H]1CC[N@H+]1CCCC1CCC1 ZINC001269284825 808664434 /nfs/dbraw/zinc/66/44/34/808664434.db2.gz GAXPBJBZIKOOHS-AEFFLSMTSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)CCC)C1 ZINC001269301908 808664919 /nfs/dbraw/zinc/66/49/19/808664919.db2.gz NZEZDEXRZRLOPI-LSDHHAIUSA-N 1 1 266.429 3.064 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H]2CC[N@@H+]2CC/C=C\CCC)C1 ZINC001269290498 808666575 /nfs/dbraw/zinc/66/65/75/808666575.db2.gz ATRZABNJMGBQEQ-WLMCBFPDSA-N 1 1 290.451 3.280 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](N(CC)C(=O)C(F)F)C1 ZINC001269301060 808666608 /nfs/dbraw/zinc/66/66/08/808666608.db2.gz GQHNBLKOVWCXRC-ZDUSSCGKSA-N 1 1 290.398 3.145 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC[C@]2(C1)CCC[N@H+](CCC)C2 ZINC001269691662 808697392 /nfs/dbraw/zinc/69/73/92/808697392.db2.gz FPOSIPVVTHPGFZ-FUHWJXTLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)/C(C)=C\CC)C2)C1 ZINC001269685117 808697491 /nfs/dbraw/zinc/69/74/91/808697491.db2.gz CSVDPPGSDCWQGF-BHCQIWIZSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)CC(C)=C(C)C)C2)C1 ZINC001269737857 808701962 /nfs/dbraw/zinc/70/19/62/808701962.db2.gz VZQRURRHUMUVQT-SFHVURJKSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@@]2(CC[N@@H+](C/C=C/Cl)C2)C1 ZINC001269732240 808702505 /nfs/dbraw/zinc/70/25/05/808702505.db2.gz PYRPDCWZIMFEOL-ILNGBFOMSA-N 1 1 296.842 3.020 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)CC[C@@H](C)CC)C1 ZINC001270643296 808740846 /nfs/dbraw/zinc/74/08/46/808740846.db2.gz VBNPXEZHHJMKOM-SWLSCSKDSA-N 1 1 286.847 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)CC[C@@H](C)CC)C1 ZINC001270643296 808740849 /nfs/dbraw/zinc/74/08/49/808740849.db2.gz VBNPXEZHHJMKOM-SWLSCSKDSA-N 1 1 286.847 3.146 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)CC(CC)CC)C1 ZINC001270641659 808741111 /nfs/dbraw/zinc/74/11/11/808741111.db2.gz IFLBGDJEWTVEMU-KRWDZBQOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCC1CC1)C2 ZINC001271730748 808781419 /nfs/dbraw/zinc/78/14/19/808781419.db2.gz OZASZGDFIYLCAH-BJWYYQGGSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCCC[N@H+](C)CCC1CCN(C(=O)[C@H]2C[C@H]2C)CC1 ZINC001271759499 808782219 /nfs/dbraw/zinc/78/22/19/808782219.db2.gz QXOUSTHABNNWCT-WBVHZDCISA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@@H+](C)CCC1CCN(C(=O)CCC2CC2)CC1 ZINC001271766539 808783320 /nfs/dbraw/zinc/78/33/20/808783320.db2.gz QTEDNNQJRMDNKM-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)C(C)C ZINC001272045541 808794999 /nfs/dbraw/zinc/79/49/99/808794999.db2.gz VUUUZKUCSORKBE-GVDBMIGSSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)c1ccc(CCC)cc1 ZINC001272094050 808797741 /nfs/dbraw/zinc/79/77/41/808797741.db2.gz YAKKQVHEVISCQS-UHFFFAOYSA-N 1 1 288.435 3.219 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(C)cc2C)C1=O ZINC001272638146 808817991 /nfs/dbraw/zinc/81/79/91/808817991.db2.gz FXHCIDDMRUBDSK-LJQANCHMSA-N 1 1 298.430 3.056 20 30 CGEDMO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2CC1CCCCC1 ZINC001273508965 808850039 /nfs/dbraw/zinc/85/00/39/808850039.db2.gz IMRSBYXAYUUVLU-GOSISDBHSA-N 1 1 290.451 3.210 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@H+](CCC)C1 ZINC001273599046 808856203 /nfs/dbraw/zinc/85/62/03/808856203.db2.gz NEPYICPMKYAPDE-IAGOWNOFSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)CCC2CCC2)C(C)(C)C1 ZINC001274426853 808876107 /nfs/dbraw/zinc/87/61/07/808876107.db2.gz VZSHKUUKQOBPLQ-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCCC)C[C@@H]1C ZINC001274596604 808878082 /nfs/dbraw/zinc/87/80/82/808878082.db2.gz JWSOYIQDANPJSP-GJZGRUSLSA-N 1 1 266.429 3.112 20 30 CGEDMO C=CC[N@H+](CC)CC1CCN(C(=O)CC2CCCC2)CC1 ZINC001274940752 808892890 /nfs/dbraw/zinc/89/28/90/808892890.db2.gz BPZQSJZLSIADBJ-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)c1ccco1 ZINC001275081664 808905124 /nfs/dbraw/zinc/90/51/24/808905124.db2.gz YOROVEOOWYOQQH-LSDHHAIUSA-N 1 1 290.407 3.171 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)c1ccsc1C ZINC001275107474 808909850 /nfs/dbraw/zinc/90/98/50/808909850.db2.gz CSESZPSYUBKJNU-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)CC(C)(C)C=C ZINC001275116379 808910547 /nfs/dbraw/zinc/91/05/47/808910547.db2.gz WYZNHFIKJFCQRX-MRXNPFEDSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]1C[N@H+](C)CCCC ZINC001275115202 808910646 /nfs/dbraw/zinc/91/06/46/808910646.db2.gz MSNHAENAHITMBV-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@H]([C@H]2CC[N@H+](CC)C2)C1 ZINC001275183404 808920503 /nfs/dbraw/zinc/92/05/03/808920503.db2.gz FNKNLXIPKMIKRI-HOTGVXAUSA-N 1 1 292.467 3.169 20 30 CGEDMO Cc1cc(C#N)c(Nc2ccc3[nH+]ccn3c2)s1 ZINC001174277019 808923540 /nfs/dbraw/zinc/92/35/40/808923540.db2.gz CXAORKGNZWQKOY-UHFFFAOYSA-N 1 1 254.318 3.320 20 30 CGEDMO N#Cc1cccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCCC2)c1 ZINC001275290279 808927135 /nfs/dbraw/zinc/92/71/35/808927135.db2.gz DCAOHMOPPRHAHZ-KDURUIRLSA-N 1 1 295.430 3.149 20 30 CGEDMO Cc1ccc(CN2CCC[C@@]3(CCC[N@H+](C)C3)C2)c(C#N)c1 ZINC001275615880 808951365 /nfs/dbraw/zinc/95/13/65/808951365.db2.gz CJBCQDPYUBLQIX-LJQANCHMSA-N 1 1 297.446 3.175 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)C[C@H](C)CC(C)C ZINC001275697191 808958096 /nfs/dbraw/zinc/95/80/96/808958096.db2.gz GITXRYMICUIWQA-HUUCEWRRSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001275729484 808961274 /nfs/dbraw/zinc/96/12/74/808961274.db2.gz NGDMNJISFKNRDC-RWBZWWBESA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1ccoc1Cl ZINC001275819979 808968470 /nfs/dbraw/zinc/96/84/70/808968470.db2.gz WWRAHAODLRNERS-NWDGAFQWSA-N 1 1 298.814 3.338 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)[C@H](C)c1cccs1 ZINC001275928193 808977258 /nfs/dbraw/zinc/97/72/58/808977258.db2.gz GVWKQJJOQRSCQI-ZIAGYGMSSA-N 1 1 294.464 3.254 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)c1cc(Cl)cs1 ZINC001275946221 808979362 /nfs/dbraw/zinc/97/93/62/808979362.db2.gz RQLYQUJJDXMKAH-SNVBAGLBSA-N 1 1 286.828 3.028 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)CC1CCCCCC1 ZINC001275944156 808979735 /nfs/dbraw/zinc/97/97/35/808979735.db2.gz BJSNTCPBNGWPJK-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1CCCCC[N@@H+]1CC[C@@H](C)F ZINC001276300119 808999882 /nfs/dbraw/zinc/99/98/82/808999882.db2.gz OWKNDHSIZRIKHJ-CVEARBPZSA-N 1 1 298.446 3.452 20 30 CGEDMO C#CCCCC(=O)NC[C@@H]1CCCCC[N@@H+]1CCC(C)C ZINC001276301024 809000401 /nfs/dbraw/zinc/00/04/01/809000401.db2.gz WILTYWAHLQRWRB-KRWDZBQOSA-N 1 1 292.467 3.197 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1C[N@H+](CCCC(C)C)CC1(C)C ZINC001276578372 809017915 /nfs/dbraw/zinc/01/79/15/809017915.db2.gz GLVSEVSCWNBKOP-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1C[N@H+](CCC(C)C)CC1(C)C ZINC001276585993 809019467 /nfs/dbraw/zinc/01/94/67/809019467.db2.gz ACQGACLKYXRRTK-HNNXBMFYSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1C[N@@H+](CCC(=C)C)CC1(C)C ZINC001276606853 809021238 /nfs/dbraw/zinc/02/12/38/809021238.db2.gz BQVFLYCGGYJRHV-YJBOKZPZSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)CCC)C[C@@]2(C)C1 ZINC001276902342 809041495 /nfs/dbraw/zinc/04/14/95/809041495.db2.gz VTMOQNDAMRFJIX-RYQLBKOJSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C[C@@H](CC(=O)NC[C@H]1CC[N@@H+]1CC(=C)C)c1ccccc1 ZINC001276978461 809052236 /nfs/dbraw/zinc/05/22/36/809052236.db2.gz MDXAEQSAVAUTSL-FUHWJXTLSA-N 1 1 298.430 3.113 20 30 CGEDMO CCCCCCC[N@H+]1CCc2cc(C(=O)N(C)C)[nH]c2C1 ZINC001277224399 809063284 /nfs/dbraw/zinc/06/32/84/809063284.db2.gz ABOUUNGJFDRCGZ-UHFFFAOYSA-N 1 1 291.439 3.045 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@H]1[C@H]1CC[N@H+](CC(=C)C)C1 ZINC001277282506 809067599 /nfs/dbraw/zinc/06/75/99/809067599.db2.gz BZYOHYQJXBDVPK-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@H+](C)C1CCN(C(=O)C[C@@H](C)CC)CC1 ZINC001277391252 809072551 /nfs/dbraw/zinc/07/25/51/809072551.db2.gz FABJESLSARVRBG-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO CCCCCCC[C@H](C)NC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2C ZINC001277422421 809074219 /nfs/dbraw/zinc/07/42/19/809074219.db2.gz HGNGULUOADIVAJ-JYJNAYRXSA-N 1 1 295.471 3.223 20 30 CGEDMO C=CCCC(=O)N[C@]1(C)CC[N@H+](CC2CCC(C)CC2)C1 ZINC001278369181 809128580 /nfs/dbraw/zinc/12/85/80/809128580.db2.gz NDSJJDSGQVFSAP-LEOMRAHMSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CCC[N@H+](CCCC)[C@@H]1C ZINC001278511983 809138682 /nfs/dbraw/zinc/13/86/82/809138682.db2.gz ZGDIHKNXTWJIHG-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C2(C)CCC2)[C@H]1C ZINC001278515209 809139341 /nfs/dbraw/zinc/13/93/41/809139341.db2.gz DPFNGGUPMZKQJE-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CCC[N@@H+](CC=C(C)C)[C@H]1C ZINC001278521255 809140068 /nfs/dbraw/zinc/14/00/68/809140068.db2.gz MQJWOBPUZQOFCR-HOTGVXAUSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C2(CC=C)CCCC2)[C@H]1C ZINC001278532467 809140494 /nfs/dbraw/zinc/14/04/94/809140494.db2.gz DUOVAEQSRWBKSQ-CVEARBPZSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CCC[N@@H+](CC=C(C)C)[C@@H]1C ZINC001278521253 809140688 /nfs/dbraw/zinc/14/06/88/809140688.db2.gz MQJWOBPUZQOFCR-CVEARBPZSA-N 1 1 278.440 3.278 20 30 CGEDMO CC#CC[N@@H+](C)CCN(C(=O)[C@H]1CCC[C@@H](C)C1)C(C)C ZINC001278917788 809154917 /nfs/dbraw/zinc/15/49/17/809154917.db2.gz IVOIYCFXNUCNFF-SJORKVTESA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC ZINC001279529961 809173831 /nfs/dbraw/zinc/17/38/31/809173831.db2.gz RPFAJYQPQNTOCG-HOTGVXAUSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CC[N@H+](C)Cc1ccccc1CNC(=O)CC(C)(C)C ZINC001280315301 809183921 /nfs/dbraw/zinc/18/39/21/809183921.db2.gz NLJAGLLQJUWZEV-UHFFFAOYSA-N 1 1 288.435 3.357 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@H+](CC(=C)C)CC1 ZINC001280746639 809197814 /nfs/dbraw/zinc/19/78/14/809197814.db2.gz JYEYUKVDLFZSOK-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@H]1CCC(C)=C(C)C1 ZINC001280822842 809200241 /nfs/dbraw/zinc/20/02/41/809200241.db2.gz RPEKDHUTSACIOY-KRWDZBQOSA-N 1 1 292.467 3.479 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)c1cccc(F)c1C ZINC001280814938 809200476 /nfs/dbraw/zinc/20/04/76/809200476.db2.gz VHLJCXFTEQTESP-UHFFFAOYSA-N 1 1 292.398 3.104 20 30 CGEDMO Cc1ccc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)cc1N ZINC001174933214 809204876 /nfs/dbraw/zinc/20/48/76/809204876.db2.gz MPYLASKHGMXCIW-UHFFFAOYSA-N 1 1 298.415 3.242 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C(CC)CC)C(C)(C)C1 ZINC001281541221 809213873 /nfs/dbraw/zinc/21/38/73/809213873.db2.gz KZBOHWXMHYRXJT-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C=C(CC)CC)C[C@@H]1C ZINC001281656887 809217211 /nfs/dbraw/zinc/21/72/11/809217211.db2.gz AUVKVIJDLIYXJX-DZGCQCFKSA-N 1 1 298.858 3.454 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C=C(CC)CC)C[C@@H]1C ZINC001281656887 809217214 /nfs/dbraw/zinc/21/72/14/809217214.db2.gz AUVKVIJDLIYXJX-DZGCQCFKSA-N 1 1 298.858 3.454 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)c1cc(C)c(C)o1 ZINC001281927999 809223836 /nfs/dbraw/zinc/22/38/36/809223836.db2.gz HVWZJRXZQDLCQM-OAHLLOKOSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)c1ccccc1CC ZINC001282451895 809248914 /nfs/dbraw/zinc/24/89/14/809248914.db2.gz UFDYIPKVLWESKR-HNNXBMFYSA-N 1 1 288.435 3.265 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)c1ccccc1 ZINC001282476766 809249609 /nfs/dbraw/zinc/24/96/09/809249609.db2.gz AASXKMMMDGPUQQ-CVEARBPZSA-N 1 1 288.435 3.193 20 30 CGEDMO C#CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)CC1CCCCC1 ZINC001282485079 809251248 /nfs/dbraw/zinc/25/12/48/809251248.db2.gz JAYJYTRQBZVIDJ-CVEARBPZSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCCCC[N@H+]1CC(=C)Cl ZINC001282661761 809257809 /nfs/dbraw/zinc/25/78/09/809257809.db2.gz MGPNPOJLZRIENX-AWEZNQCLSA-N 1 1 284.831 3.066 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCCCC[N@@H+]1CC(=C)Cl ZINC001282661761 809257814 /nfs/dbraw/zinc/25/78/14/809257814.db2.gz MGPNPOJLZRIENX-AWEZNQCLSA-N 1 1 284.831 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)CC1CCC1 ZINC001282662009 809257944 /nfs/dbraw/zinc/25/79/44/809257944.db2.gz OTOYHHREBCEACK-HNNXBMFYSA-N 1 1 298.858 3.290 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)CC1CCC1 ZINC001282662009 809257951 /nfs/dbraw/zinc/25/79/51/809257951.db2.gz OTOYHHREBCEACK-HNNXBMFYSA-N 1 1 298.858 3.290 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)[C@@H](F)CC)C2)C1 ZINC001282967056 809267789 /nfs/dbraw/zinc/26/77/89/809267789.db2.gz IHCSPCAUBGRKLW-GJZGRUSLSA-N 1 1 296.430 3.014 20 30 CGEDMO CC#CCCCC(=O)N1CCC([N@H+](C)C[C@H](C)CC)CC1 ZINC001283319723 809275781 /nfs/dbraw/zinc/27/57/81/809275781.db2.gz NWAXNHORHOCNGG-MRXNPFEDSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)[C@H]1CC=CCC1)C(C)C ZINC001284527441 809306906 /nfs/dbraw/zinc/30/69/06/809306906.db2.gz MZKQIYZQZJIYDY-INIZCTEOSA-N 1 1 278.440 3.088 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1ccc(F)cc1C#N ZINC001175524735 809442460 /nfs/dbraw/zinc/44/24/60/809442460.db2.gz WWOIAPQEGWWPKV-UHFFFAOYSA-N 1 1 293.345 3.244 20 30 CGEDMO CC[C@H]([NH2+]Cc1cc(C#N)ccn1)c1ccccc1OC ZINC001175559558 809450779 /nfs/dbraw/zinc/45/07/79/809450779.db2.gz FDGGCAIZYSAFGW-INIZCTEOSA-N 1 1 281.359 3.203 20 30 CGEDMO N#Cc1cccc([C@H](O)C[N@H+]2CCC[C@H](C3CCC3)CC2)c1 ZINC001175610596 809472623 /nfs/dbraw/zinc/47/26/23/809472623.db2.gz GXMXXXVLFRISPI-PKOBYXMFSA-N 1 1 298.430 3.494 20 30 CGEDMO N#Cc1ccc(Nc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC001175857534 809559591 /nfs/dbraw/zinc/55/95/91/809559591.db2.gz HNKIVXDQZJSLCU-UHFFFAOYSA-N 1 1 293.370 3.134 20 30 CGEDMO C=CCn1cc(Nc2cccn3c(C)c(C)[nH+]c23)cn1 ZINC001176546576 809715036 /nfs/dbraw/zinc/71/50/36/809715036.db2.gz XKIJVWIHWPNZJW-UHFFFAOYSA-N 1 1 267.336 3.077 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1cc(CO)ccc1F ZINC001176771922 809759792 /nfs/dbraw/zinc/75/97/92/809759792.db2.gz XXAAAVRALLIVGX-OAHLLOKOSA-N 1 1 263.356 3.249 20 30 CGEDMO C=C[C@@H](C)[NH2+]Cc1csc(COc2ccccc2)n1 ZINC001178165615 809849469 /nfs/dbraw/zinc/84/94/69/809849469.db2.gz BDVJWDDNGWIMBR-GFCCVEGCSA-N 1 1 274.389 3.386 20 30 CGEDMO C=CCCCN(CC)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001180032533 809968886 /nfs/dbraw/zinc/96/88/86/809968886.db2.gz MBOPYGXAYUBVRD-MRXNPFEDSA-N 1 1 274.408 3.104 20 30 CGEDMO CC[N@H+](Cc1cc(C(C)C)ccc1O)C[C@@H](C)C#N ZINC001180240492 809985932 /nfs/dbraw/zinc/98/59/32/809985932.db2.gz ZEDRURDHGPBBKZ-ZDUSSCGKSA-N 1 1 260.381 3.497 20 30 CGEDMO CC[C@H](CC#N)N[C@H]1CC[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001180593901 810013333 /nfs/dbraw/zinc/01/33/33/810013333.db2.gz PVRIOMSFEVTNOC-JQHSSLGASA-N 1 1 285.435 3.321 20 30 CGEDMO CC[C@H](CC#N)[NH2+][C@H]1CC[C@H](C)N(Cc2ccccc2)C1 ZINC001180593901 810013338 /nfs/dbraw/zinc/01/33/38/810013338.db2.gz PVRIOMSFEVTNOC-JQHSSLGASA-N 1 1 285.435 3.321 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC001182543732 810114231 /nfs/dbraw/zinc/11/42/31/810114231.db2.gz MNJLHLOGPGNSDL-HNNXBMFYSA-N 1 1 253.389 3.411 20 30 CGEDMO C#CCC[N@H+](CCOC)C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001183053602 810134983 /nfs/dbraw/zinc/13/49/83/810134983.db2.gz OYUROGRIIMHORT-QZTJIDSGSA-N 1 1 271.404 3.152 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C3CCCC3)[C@@H]2C1 ZINC001186645169 810354080 /nfs/dbraw/zinc/35/40/80/810354080.db2.gz XHJKAYVWZKZBES-BHYGNILZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]2C[N@@H+](CCCCCF)C[C@H]21 ZINC001188080842 810451418 /nfs/dbraw/zinc/45/14/18/810451418.db2.gz MVTXNEVGUDDMDC-JKSUJKDBSA-N 1 1 296.430 3.015 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)CC2CC2)C1 ZINC001188608588 810493351 /nfs/dbraw/zinc/49/33/51/810493351.db2.gz AZRNPVYXMCTKOT-MRXNPFEDSA-N 1 1 280.456 3.290 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)F)C1 ZINC001188619818 810493914 /nfs/dbraw/zinc/49/39/14/810493914.db2.gz XYZHBYKDOUPBJN-CQSZACIVSA-N 1 1 286.435 3.238 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)c2ccco2)C1 ZINC001188643992 810499009 /nfs/dbraw/zinc/49/90/09/810499009.db2.gz ZNHAJYCTBSOILQ-HNNXBMFYSA-N 1 1 290.407 3.172 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)CCC2CCCC2)C1 ZINC001188707813 810506118 /nfs/dbraw/zinc/50/61/18/810506118.db2.gz AZJYXDKMRYDIIR-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2C[N@H+](CCCCC)C[C@H]21 ZINC001188908513 810522413 /nfs/dbraw/zinc/52/24/13/810522413.db2.gz GJNZTLZVKAPVJL-YESZJQIVSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)CCCC)C1 ZINC001189011338 810533880 /nfs/dbraw/zinc/53/38/80/810533880.db2.gz DOTPHPIBLLJLGI-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C=C2CCCCC2)C1 ZINC001189150483 810544541 /nfs/dbraw/zinc/54/45/41/810544541.db2.gz CGMWVACASVGWNB-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)CCCC(C)C)[C@@H]2C1 ZINC001189224620 810550276 /nfs/dbraw/zinc/55/02/76/810550276.db2.gz ZHCZJAMRMSWSGN-LSDHHAIUSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)CCCC(C)C)[C@@H]2C1 ZINC001189224620 810550282 /nfs/dbraw/zinc/55/02/82/810550282.db2.gz ZHCZJAMRMSWSGN-LSDHHAIUSA-N 1 1 298.858 3.098 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]([N@H+](C)CC/C=C/CCC)C1 ZINC001189281168 810554329 /nfs/dbraw/zinc/55/43/29/810554329.db2.gz YYVAJYKSKGOCLE-FDMDGMSGSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCCC(=O)N1CC[C@@H]([N@H+](C)[C@H]2CCc3ccccc32)C1 ZINC001189319286 810558768 /nfs/dbraw/zinc/55/87/68/810558768.db2.gz WDZOZYBFHNPBRJ-AEFFLSMTSA-N 1 1 298.430 3.173 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)C(C)C)C1 ZINC001189328897 810560019 /nfs/dbraw/zinc/56/00/19/810560019.db2.gz WIDRIHVLJYNMGE-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)c2cscc2C)C1 ZINC001189565108 810577853 /nfs/dbraw/zinc/57/78/53/810577853.db2.gz LFXRGKGTMLQXKB-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C/C=C(/C)C(=O)N1CC[C@H]([N@H+](C)CCCCCCC)C1 ZINC001189592841 810581605 /nfs/dbraw/zinc/58/16/05/810581605.db2.gz CGHKVRQHIHHSSM-PJVYJYFWSA-N 1 1 280.456 3.456 20 30 CGEDMO C#CCCCC(=O)N1CC[C@H]([N@H+](C)C[C@H](C)CC(C)C)C1 ZINC001189909458 810593276 /nfs/dbraw/zinc/59/32/76/810593276.db2.gz CXQBHWLYWUMNDE-SJORKVTESA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C)cc3)[C@@H]2C1 ZINC001189931026 810595339 /nfs/dbraw/zinc/59/53/39/810595339.db2.gz RASWKKOOQLDLPY-ZWKOTPCHSA-N 1 1 298.430 3.108 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccsc2C)C1 ZINC001190016580 810602979 /nfs/dbraw/zinc/60/29/79/810602979.db2.gz YQANESZBCUAQFJ-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@]2(C)CC=CCC2)C1 ZINC001190336641 810620074 /nfs/dbraw/zinc/62/00/74/810620074.db2.gz IXQVYIJCBPJNIH-AEFFLSMTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC001190428459 810627471 /nfs/dbraw/zinc/62/74/71/810627471.db2.gz JBAGJEKHUSONAA-QGZVFWFLSA-N 1 1 286.419 3.076 20 30 CGEDMO C#CC[N@H+](C[C@@H](OC)C1CCC1)[C@@H]1CCc2ccccc21 ZINC001190529584 810633041 /nfs/dbraw/zinc/63/30/41/810633041.db2.gz UCYYSEOMXKJSDX-RTBURBONSA-N 1 1 283.415 3.424 20 30 CGEDMO C=CC[N@@H+](CCCCC(=O)OC)CCc1ccccc1 ZINC001190700263 810643093 /nfs/dbraw/zinc/64/30/93/810643093.db2.gz WMVLXGSVHBOFEJ-UHFFFAOYSA-N 1 1 275.392 3.060 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@](C)(F)CCCC)C1 ZINC001191039937 810665398 /nfs/dbraw/zinc/66/53/98/810665398.db2.gz HIFOEGKGERJOOG-RDJZCZTQSA-N 1 1 298.446 3.404 20 30 CGEDMO CCCCCCCCNC(=O)N1CC[C@H]([N@@H+](C)C(C)C)C1 ZINC001191068304 810669593 /nfs/dbraw/zinc/66/95/93/810669593.db2.gz MLYHRHAVUUCTFT-INIZCTEOSA-N 1 1 297.487 3.471 20 30 CGEDMO CCCCCCCCNC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001191064197 810669695 /nfs/dbraw/zinc/66/96/95/810669695.db2.gz RBXLSIXKQUDLOS-JKSUJKDBSA-N 1 1 295.471 3.083 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C2(C)CCCC2)C1 ZINC001191608591 810728005 /nfs/dbraw/zinc/72/80/05/810728005.db2.gz SIYISJVOXRFAFS-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C2(C)CCCC2)C1 ZINC001191609148 810728297 /nfs/dbraw/zinc/72/82/97/810728297.db2.gz UXQWVLSAWRTSMP-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO CC#CCCCC(=O)N1CC[C@H]([N@H+](C)CC(CC)CC)C1 ZINC001191859852 810752165 /nfs/dbraw/zinc/75/21/65/810752165.db2.gz SAIXRSBKNDKMQL-KRWDZBQOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)C2(CCC)CCC2)C1 ZINC001191858944 810752872 /nfs/dbraw/zinc/75/28/72/810752872.db2.gz FTVJEEDMZGEYRB-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)CC(=C)C)C1 ZINC001191913275 810757792 /nfs/dbraw/zinc/75/77/92/810757792.db2.gz VKYLUMVZVDMVJI-JKSUJKDBSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C2CCC(=C)CC2)C1 ZINC001192181148 810773712 /nfs/dbraw/zinc/77/37/12/810773712.db2.gz RJPWCLLLVSWHTC-QGZVFWFLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)C[C@@H](C)CC)C2)CCC1 ZINC001192217829 810777368 /nfs/dbraw/zinc/77/73/68/810777368.db2.gz KNTQAUBDUPMIDZ-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CC[N@@H+](CC(=O)Nc1ccc(C(C)(C)C)cc1)CC1CC1 ZINC001192303367 810786081 /nfs/dbraw/zinc/78/60/81/810786081.db2.gz OOTRDXQZTPMFOB-UHFFFAOYSA-N 1 1 298.430 3.268 20 30 CGEDMO C#CC[N@H+](CC(=O)Nc1ccc(C(C)(C)C)cc1)CC1CC1 ZINC001192303367 810786084 /nfs/dbraw/zinc/78/60/84/810786084.db2.gz OOTRDXQZTPMFOB-UHFFFAOYSA-N 1 1 298.430 3.268 20 30 CGEDMO C#CCC[N@H+](C)[C@H]1CCN(C(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001192513823 810804663 /nfs/dbraw/zinc/80/46/63/810804663.db2.gz SFTXFKXUQZPGJZ-HOTGVXAUSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001192514273 810804816 /nfs/dbraw/zinc/80/48/16/810804816.db2.gz WVBRVLVVOXGEKX-GJZGRUSLSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)CC(C)(C)C)C1 ZINC001192687061 810816206 /nfs/dbraw/zinc/81/62/06/810816206.db2.gz AMJHXZHMILBNBX-CABCVRRESA-N 1 1 280.456 3.168 20 30 CGEDMO CCCCCCC[C@H](C)NC(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC001192931319 810831064 /nfs/dbraw/zinc/83/10/64/810831064.db2.gz NHUBIZLITVUMBD-LSDHHAIUSA-N 1 1 283.460 3.081 20 30 CGEDMO CCCCCCC[C@H](C)NC(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC001192931319 810831073 /nfs/dbraw/zinc/83/10/73/810831073.db2.gz NHUBIZLITVUMBD-LSDHHAIUSA-N 1 1 283.460 3.081 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)CCCCC(C)C)C1 ZINC001192946693 810831962 /nfs/dbraw/zinc/83/19/62/810831962.db2.gz DRKKKKUZVGLPLI-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)CC[C@H](C)CC)C1 ZINC001193025312 810843290 /nfs/dbraw/zinc/84/32/90/810843290.db2.gz CLPHKCRQEUWGGD-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)CC(CC)CC)C1 ZINC001193099540 810856634 /nfs/dbraw/zinc/85/66/34/810856634.db2.gz NGOHZIIOJHOQSI-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C2(CC)CCCC2)C1 ZINC001193170065 810862305 /nfs/dbraw/zinc/86/23/05/810862305.db2.gz JYBXRUMARSJXMD-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)C2CCCC2)C1 ZINC001193372628 810880914 /nfs/dbraw/zinc/88/09/14/810880914.db2.gz DVPBWQZEZIJFLU-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001193479727 810893638 /nfs/dbraw/zinc/89/36/38/810893638.db2.gz ZURULXRHXKGFRI-LSDHHAIUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001193479724 810893984 /nfs/dbraw/zinc/89/39/84/810893984.db2.gz ZURULXRHXKGFRI-CABCVRRESA-N 1 1 280.456 3.168 20 30 CGEDMO CC[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)[C@@H]1C ZINC001193606052 810918129 /nfs/dbraw/zinc/91/81/29/810918129.db2.gz MTGVRJZBENVSMX-HIFRSBDPSA-N 1 1 285.391 3.007 20 30 CGEDMO CCCCCCCOC(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC001193995400 810999160 /nfs/dbraw/zinc/99/91/60/810999160.db2.gz MXACNNRZQCBBPC-UONOGXRCSA-N 1 1 270.417 3.118 20 30 CGEDMO CCCCCCCOC(=O)N1CCC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC001194005623 810999754 /nfs/dbraw/zinc/99/97/54/810999754.db2.gz WLQDWQRZKACECJ-CABCVRRESA-N 1 1 282.428 3.119 20 30 CGEDMO CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)CCCCC)C1 ZINC001194165111 811025639 /nfs/dbraw/zinc/02/56/39/811025639.db2.gz XKOVBSZCQCBFNW-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCC[N@H+]1CCCN(C(=O)CCC2CCCC2)CC1 ZINC001194689696 811109447 /nfs/dbraw/zinc/10/94/47/811109447.db2.gz PXBSUXCOXXRUBO-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)CCCCC)CC1 ZINC001194876111 811161983 /nfs/dbraw/zinc/16/19/83/811161983.db2.gz JEQZOAQCVUWXJQ-INIZCTEOSA-N 1 1 280.456 3.456 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)CSC(C)C)CC1 ZINC001194896889 811165572 /nfs/dbraw/zinc/16/55/72/811165572.db2.gz AZHFMNNUIWVREF-HNNXBMFYSA-N 1 1 298.496 3.017 20 30 CGEDMO CCCCCCCCCOC(=O)N[C@H]1CC[N@@H+](C)C1 ZINC001194919784 811170075 /nfs/dbraw/zinc/17/00/75/811170075.db2.gz JJSRBKVSSZQPGH-AWEZNQCLSA-N 1 1 270.417 3.167 20 30 CGEDMO Cc1[nH+]c2ccccn2c1Nc1cc(C#N)ccc1F ZINC001214592501 815428210 /nfs/dbraw/zinc/42/82/10/815428210.db2.gz COLNUAIQDKYBTB-UHFFFAOYSA-N 1 1 266.279 3.397 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](C)[C@H]1C(=O)OC(C)(C)C ZINC001195350325 811245712 /nfs/dbraw/zinc/24/57/12/811245712.db2.gz UKUZRDXEJBKMLC-KGLIPLIRSA-N 1 1 267.413 3.395 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H](C)CCC)CC1 ZINC001195383922 811249466 /nfs/dbraw/zinc/24/94/66/811249466.db2.gz SEUZZARNNKJROG-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)C[C@@H]2CCC[C@@H]2C)CC1 ZINC001195915269 811302785 /nfs/dbraw/zinc/30/27/85/811302785.db2.gz NZTKFMFPLFNEGP-IRXDYDNUSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2cccc3c2OCCO3)C1 ZINC001195947340 811303446 /nfs/dbraw/zinc/30/34/46/811303446.db2.gz SNFSSFANDSZLRP-AWEZNQCLSA-N 1 1 273.376 3.246 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@]2(C)CC=CCC2)CC1 ZINC001195934477 811303970 /nfs/dbraw/zinc/30/39/70/811303970.db2.gz BSNNFLWKSFMZSB-GOSISDBHSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@](C)(F)CCCC)CC1 ZINC001196358009 811336403 /nfs/dbraw/zinc/33/64/03/811336403.db2.gz KVOOSPFRGKRZNQ-QGZVFWFLSA-N 1 1 298.446 3.405 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCN(C(=O)C2(C)CCC2)CC1 ZINC001196762678 811363013 /nfs/dbraw/zinc/36/30/13/811363013.db2.gz LNQIFYWDNYPPDG-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCN(C(=O)CCCF)CC1 ZINC001196798649 811369196 /nfs/dbraw/zinc/36/91/96/811369196.db2.gz CKUAPHFFVYNVFE-UHFFFAOYSA-N 1 1 284.419 3.017 20 30 CGEDMO C=CC[C@@H](C(=O)OC)[N@@H+](C)C[C@@H](C)C1CCCCC1 ZINC001196817896 811370246 /nfs/dbraw/zinc/37/02/46/811370246.db2.gz CSVWGVIYJPTPRR-HIFRSBDPSA-N 1 1 267.413 3.252 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CCC[N@H+](CC/C=C/CC)CC1 ZINC001196880505 811374781 /nfs/dbraw/zinc/37/47/81/811374781.db2.gz LFLGXGKRJOKFPM-LXXRFIIISA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)C2(CCC)CCC2)CC1 ZINC001196853737 811375305 /nfs/dbraw/zinc/37/53/05/811375305.db2.gz LWEQIEHDAZLPFE-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@H+](CCCC(C)C)CC1 ZINC001196853134 811376377 /nfs/dbraw/zinc/37/63/77/811376377.db2.gz HLWMDABZIAWRHO-DLBZAZTESA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCC1(C(=O)N2CCC[N@H+](CCC(C)C)CC2)CCC1 ZINC001197076611 811397563 /nfs/dbraw/zinc/39/75/63/811397563.db2.gz IPUOFVHQHIYUDE-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C2(C)CC(=C)C2)CC1 ZINC001197091788 811399143 /nfs/dbraw/zinc/39/91/43/811399143.db2.gz HFLRXUSAPPUGLD-INIZCTEOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@H]2CC23CCC3)CC1 ZINC001197270098 811410221 /nfs/dbraw/zinc/41/02/21/811410221.db2.gz ZMXUGECQMQYFCR-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[C@@H](C)[N@@H+]1CCc2c3cc(OC)ccc3[nH]c2C1 ZINC001197344350 811417534 /nfs/dbraw/zinc/41/75/34/811417534.db2.gz XGTJFNGWSMRPPF-GFCCVEGCSA-N 1 1 270.376 3.499 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCc2c3cc(OC)ccc3[nH]c2C1 ZINC001197344350 811417540 /nfs/dbraw/zinc/41/75/40/811417540.db2.gz XGTJFNGWSMRPPF-GFCCVEGCSA-N 1 1 270.376 3.499 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)[C@H](C)CC(C)(C)C)CC1 ZINC001197346120 811418182 /nfs/dbraw/zinc/41/81/82/811418182.db2.gz IXCIXBXCESJAMG-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C#CCC[N@@H+]1CCCN(C(=O)CCCCCC(C)C)CC1 ZINC001197346836 811418603 /nfs/dbraw/zinc/41/86/03/811418603.db2.gz ZZFYGISDMYMBFV-UHFFFAOYSA-N 1 1 292.467 3.151 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)[C@@H](C)CCCCCC)CC1 ZINC001197519869 811426626 /nfs/dbraw/zinc/42/66/26/811426626.db2.gz UQYHBWLVPUVIDH-INIZCTEOSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@H](C)CC(C)C)CC1 ZINC001197614307 811437086 /nfs/dbraw/zinc/43/70/86/811437086.db2.gz JTFLWKYVSBBXLW-MRXNPFEDSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[C@@H](C(=O)N1CCC[N@@H+](CC=C)CC1)c1ccccc1 ZINC001198190768 811483227 /nfs/dbraw/zinc/48/32/27/811483227.db2.gz UBSDBTCTYRJUOM-GOSISDBHSA-N 1 1 298.430 3.067 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1cc(C(=O)OC)oc1C ZINC001198406634 811499108 /nfs/dbraw/zinc/49/91/08/811499108.db2.gz JXDDFGLKBGODCA-CQSZACIVSA-N 1 1 277.364 3.305 20 30 CGEDMO CCC[C@H]1CCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC001198422360 811501100 /nfs/dbraw/zinc/50/11/00/811501100.db2.gz YIOGFTOVODSUSZ-HNNXBMFYSA-N 1 1 258.365 3.353 20 30 CGEDMO Clc1cccc(C#CC[N@H+]2CCCC[C@]23CCOC3)c1 ZINC001198769049 811541868 /nfs/dbraw/zinc/54/18/68/811541868.db2.gz IVVDMKJMNMLEQW-QGZVFWFLSA-N 1 1 289.806 3.337 20 30 CGEDMO N#Cc1ccc2c(c1)CC[N@H+](C[C@H]1CC=CCC1)C2 ZINC001201408079 811832369 /nfs/dbraw/zinc/83/23/69/811832369.db2.gz BHQNPVVEMSVUCD-AWEZNQCLSA-N 1 1 252.361 3.273 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](C[C@H](C)CC)[C@H]2CC ZINC001201502125 811871086 /nfs/dbraw/zinc/87/10/86/811871086.db2.gz GVRNGLAQVUSRNF-RYRKJORJSA-N 1 1 292.467 3.454 20 30 CGEDMO Cc1cccc2[nH+]cc(Nc3ccc(C#N)cc3F)n21 ZINC001201566368 811905390 /nfs/dbraw/zinc/90/53/90/811905390.db2.gz BWCZAPMKTIAWSK-UHFFFAOYSA-N 1 1 266.279 3.397 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]2OCCC[C@]2(COC)C1 ZINC001201776927 811965222 /nfs/dbraw/zinc/96/52/22/811965222.db2.gz PIKWMBKOSYZJER-DLBZAZTESA-N 1 1 283.456 3.474 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](Oc2nccnc2C)C1 ZINC001201798381 811965855 /nfs/dbraw/zinc/96/58/55/811965855.db2.gz WKUXHFDNPDAFKQ-HNNXBMFYSA-N 1 1 277.412 3.209 20 30 CGEDMO CCCCCCCC[N@H+]1CCC[C@@H](C(=O)N(C)C)C1 ZINC001201826391 811967586 /nfs/dbraw/zinc/96/75/86/811967586.db2.gz VBCXJZNSCLYEGU-OAHLLOKOSA-N 1 1 268.445 3.147 20 30 CGEDMO CCCCCCCC[N@@H+]1Cc2ccnn2C[C@H](COC)C1 ZINC001201826204 811968447 /nfs/dbraw/zinc/96/84/47/811968447.db2.gz PYCOYGWMEFXBHI-MRXNPFEDSA-N 1 1 293.455 3.322 20 30 CGEDMO CCCCCCCCC[N@H+]1CCC[C@@]2(CCNC2=O)C1 ZINC001201840218 811968812 /nfs/dbraw/zinc/96/88/12/811968812.db2.gz WZIIPVWXIGOFJU-QGZVFWFLSA-N 1 1 280.456 3.339 20 30 CGEDMO CCCCCCCCC[N@@H+]1CCO[C@@H](C(=O)OCC)C1 ZINC001201845903 811970669 /nfs/dbraw/zinc/97/06/69/811970669.db2.gz ADRSZGAOUHRANP-OAHLLOKOSA-N 1 1 285.428 3.001 20 30 CGEDMO CCCCCCCCC[N@H+]1CCO[C@@H](C(=O)OCC)C1 ZINC001201845903 811970672 /nfs/dbraw/zinc/97/06/72/811970672.db2.gz ADRSZGAOUHRANP-OAHLLOKOSA-N 1 1 285.428 3.001 20 30 CGEDMO FC[C@@]1(C(F)(F)F)CC[N@@H+](CCC(F)(F)F)C1 ZINC001202306747 812060604 /nfs/dbraw/zinc/06/06/04/812060604.db2.gz ADOOQLGGBYTVRF-ZETCQYMHSA-N 1 1 267.188 3.163 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)c(C)c1C ZINC001203724199 812441784 /nfs/dbraw/zinc/44/17/84/812441784.db2.gz CMWYITZFTIHFPS-HNNXBMFYSA-N 1 1 272.392 3.438 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1ccc(OC)c(C)c1C ZINC001203725618 812442232 /nfs/dbraw/zinc/44/22/32/812442232.db2.gz VCIIKAOFJOISET-UHFFFAOYSA-N 1 1 260.381 3.438 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1ccc(OC)c(C)c1C ZINC001203725618 812442237 /nfs/dbraw/zinc/44/22/37/812442237.db2.gz VCIIKAOFJOISET-UHFFFAOYSA-N 1 1 260.381 3.438 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(C)c(OC)cc2C)C1 ZINC001203761061 812458703 /nfs/dbraw/zinc/45/87/03/812458703.db2.gz TYCMLPPMLFUSJR-HNNXBMFYSA-N 1 1 257.377 3.157 20 30 CGEDMO CN1CC[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1c1ccccc1 ZINC001203903635 812487533 /nfs/dbraw/zinc/48/75/33/812487533.db2.gz JVRMECUPEBTRCV-IBGZPJMESA-N 1 1 291.398 3.047 20 30 CGEDMO C[N@@H+]1CCN(Cc2ccc(C#N)cc2)C[C@H]1c1ccccc1 ZINC001203903635 812487540 /nfs/dbraw/zinc/48/75/40/812487540.db2.gz JVRMECUPEBTRCV-IBGZPJMESA-N 1 1 291.398 3.047 20 30 CGEDMO C[N@H+]1CCN(Cc2ccc(C#N)cc2)C[C@H]1c1ccccc1 ZINC001203903635 812487548 /nfs/dbraw/zinc/48/75/48/812487548.db2.gz JVRMECUPEBTRCV-IBGZPJMESA-N 1 1 291.398 3.047 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](C(F)F)C2)cc1 ZINC001203905656 812488212 /nfs/dbraw/zinc/48/82/12/812488212.db2.gz YXDHLXGBDKUWMX-ZDUSSCGKSA-N 1 1 250.292 3.035 20 30 CGEDMO C=CCOc1ccc(CN2CC[C@@H]([N@H+](C)C(C)C)C2)cc1 ZINC001204302567 812604943 /nfs/dbraw/zinc/60/49/43/812604943.db2.gz OCAIGLSYOYARGJ-QGZVFWFLSA-N 1 1 288.435 3.166 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@](C)(O)[C@H](C)C2)cc1 ZINC001204298109 812605015 /nfs/dbraw/zinc/60/50/15/812605015.db2.gz VWAWBEDLTCSIHL-CRAIPNDOSA-N 1 1 289.419 3.234 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@](C)(O)[C@@H](C)C2)cc1 ZINC001204298114 812605400 /nfs/dbraw/zinc/60/54/00/812605400.db2.gz VWAWBEDLTCSIHL-YJBOKZPZSA-N 1 1 289.419 3.234 20 30 CGEDMO CCC[N@@H+](CCc1ccccn1)Cc1ccccc1C#N ZINC001204373986 812623513 /nfs/dbraw/zinc/62/35/13/812623513.db2.gz ZPPGFXPEGHXHKE-UHFFFAOYSA-N 1 1 279.387 3.408 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@]1(C)CCCCO1 ZINC001204497272 812657386 /nfs/dbraw/zinc/65/73/86/812657386.db2.gz NGJBEPFKMYKQFG-HNNXBMFYSA-N 1 1 252.402 3.207 20 30 CGEDMO C[C@]1(F)CCCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001205459402 812986326 /nfs/dbraw/zinc/98/63/26/812986326.db2.gz QIGUDSAPYKPANW-HNNXBMFYSA-N 1 1 264.319 3.411 20 30 CGEDMO C[C@]1(F)CCCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001205459402 812986330 /nfs/dbraw/zinc/98/63/30/812986330.db2.gz QIGUDSAPYKPANW-HNNXBMFYSA-N 1 1 264.319 3.411 20 30 CGEDMO C[N@@H+](CCC(=O)c1ccccc1)Cc1ccc(F)c(C#N)c1 ZINC001205493730 812990672 /nfs/dbraw/zinc/99/06/72/812990672.db2.gz MXBVQGHFGBRSTA-UHFFFAOYSA-N 1 1 296.345 3.402 20 30 CGEDMO C#CC[N@H+](CC(C)(C)c1ccc(OC)c(OC)c1)C1CC1 ZINC001205883797 813118983 /nfs/dbraw/zinc/11/89/83/813118983.db2.gz ZNAIHCXUGYHCDP-UHFFFAOYSA-N 1 1 287.403 3.079 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC(C)(C)C)C1 ZINC001206034643 813173880 /nfs/dbraw/zinc/17/38/80/813173880.db2.gz HXTXQEFHNYMECZ-RBSFLKMASA-N 1 1 280.456 3.214 20 30 CGEDMO CC[NH+](CC)c1ccc(Nc2ccnc(C#N)c2)c(C)c1 ZINC001206627345 813378035 /nfs/dbraw/zinc/37/80/35/813378035.db2.gz WEVAVBOTXJSTJC-UHFFFAOYSA-N 1 1 280.375 3.273 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1Nc1cc(F)ccc1C#N ZINC001206744685 813417047 /nfs/dbraw/zinc/41/70/47/813417047.db2.gz XLBVYZYRNDGNRQ-UHFFFAOYSA-N 1 1 270.311 3.210 20 30 CGEDMO C=C(C)CO[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC001206750951 813420122 /nfs/dbraw/zinc/42/01/22/813420122.db2.gz RBIICIYYIDQULC-OAHLLOKOSA-N 1 1 263.356 3.383 20 30 CGEDMO C=C(C)COC[C@H]1C[N@@H+](Cc2ccccc2)CC(C)(C)O1 ZINC001206750487 813420375 /nfs/dbraw/zinc/42/03/75/813420375.db2.gz JJBULGUIKSCJED-QGZVFWFLSA-N 1 1 289.419 3.259 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C=C(CC)CC)C1 ZINC001206875349 813457596 /nfs/dbraw/zinc/45/75/96/813457596.db2.gz HTLROAGZUYPAGT-GDBMZVCRSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)CCCC)C1 ZINC001206928283 813458231 /nfs/dbraw/zinc/45/82/31/813458231.db2.gz OXLCDCDRRMDICE-BZUAXINKSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1C)C(=O)OCC ZINC001207333664 813542655 /nfs/dbraw/zinc/54/26/55/813542655.db2.gz HBYVEXBBQCRHRK-ZNMIVQPWSA-N 1 1 267.413 3.300 20 30 CGEDMO C=C(C)C[C@@H]([NH2+][C@H]1CCC(C)(C)C1)C(=O)OCC ZINC001207334440 813543544 /nfs/dbraw/zinc/54/35/44/813543544.db2.gz PUTNVCOWRRCQKA-QWHCGFSZSA-N 1 1 253.386 3.053 20 30 CGEDMO C=CCC[N@H+](Cc1ccccc1)C[C@H]1CCCOC1 ZINC001207467196 813569426 /nfs/dbraw/zinc/56/94/26/813569426.db2.gz CAKSNKDAHUBBJB-QGZVFWFLSA-N 1 1 259.393 3.491 20 30 CGEDMO N#C[C@H]1CC[N@@H+](CCCc2cccc(C(F)(F)F)c2)C1 ZINC001207845834 813661809 /nfs/dbraw/zinc/66/18/09/813661809.db2.gz OBBVGURUYLLNLJ-CYBMUJFWSA-N 1 1 282.309 3.483 20 30 CGEDMO N#C[C@H]1CC[N@H+](CCCc2cccc(C(F)(F)F)c2)C1 ZINC001207845834 813661814 /nfs/dbraw/zinc/66/18/14/813661814.db2.gz OBBVGURUYLLNLJ-CYBMUJFWSA-N 1 1 282.309 3.483 20 30 CGEDMO C=CCCCCCCCCC[N@@H+]1CCO[C@H](C(=O)OC)C1 ZINC001207895764 813665846 /nfs/dbraw/zinc/66/58/46/813665846.db2.gz DFXGUAQPAMIIDA-INIZCTEOSA-N 1 1 297.439 3.167 20 30 CGEDMO C=CCCCCCCCCC[N@H+]1CCO[C@H](C(=O)OC)C1 ZINC001207895764 813665848 /nfs/dbraw/zinc/66/58/48/813665848.db2.gz DFXGUAQPAMIIDA-INIZCTEOSA-N 1 1 297.439 3.167 20 30 CGEDMO C=CCCCCCCCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC001207895672 813666419 /nfs/dbraw/zinc/66/64/19/813666419.db2.gz CCKYUFNTJHETEJ-MRXNPFEDSA-N 1 1 280.456 3.491 20 30 CGEDMO N#Cc1ccc2c(c1)CC[N@H+](CCc1c(F)cccc1F)C2 ZINC001208113239 813696996 /nfs/dbraw/zinc/69/69/96/813696996.db2.gz XTGOKBUKFFPHHW-UHFFFAOYSA-N 1 1 298.336 3.437 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@@H](n3ccnn3)C2)CC1 ZINC001208179413 813730827 /nfs/dbraw/zinc/73/08/27/813730827.db2.gz YMCULDLNAJYAOI-IAGOWNOFSA-N 1 1 286.423 3.218 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1C ZINC001208309282 813753593 /nfs/dbraw/zinc/75/35/93/813753593.db2.gz HFUKNVSMPXBHLQ-GDBMZVCRSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCCC1(C(=O)N[C@@H]2C[N@H+](CC=C(C)C)C[C@H]2C)CC1 ZINC001208515391 813764602 /nfs/dbraw/zinc/76/46/02/813764602.db2.gz KUTBTBCXHQZHBL-HZPDHXFCSA-N 1 1 290.451 3.136 20 30 CGEDMO CN1CCC[C@H](C[NH+]2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001208619881 813777806 /nfs/dbraw/zinc/77/78/06/813777806.db2.gz ZBFIHQSHVVVEOT-KRWDZBQOSA-N 1 1 297.446 3.079 20 30 CGEDMO C[N@@H+](CCCc1cccc(C#N)c1)Cc1cccnc1 ZINC001208845019 813865028 /nfs/dbraw/zinc/86/50/28/813865028.db2.gz NRGFWQNXIBCBNN-UHFFFAOYSA-N 1 1 265.360 3.018 20 30 CGEDMO COCC[C@H]1CCCC[N@H+]1CCCc1cccc(C#N)c1 ZINC001208852578 813867034 /nfs/dbraw/zinc/86/70/34/813867034.db2.gz MEEWWAFURQZYTE-GOSISDBHSA-N 1 1 286.419 3.382 20 30 CGEDMO CO[C@H]1CCC[C@@H]2C[N@@H+](CCCc3cccc(C#N)c3)C[C@@H]21 ZINC001208852721 813867719 /nfs/dbraw/zinc/86/77/19/813867719.db2.gz RKBOHRFVDBEBFO-QYZOEREBSA-N 1 1 298.430 3.238 20 30 CGEDMO C[N@@H+](CCCc1ccc(C#N)cc1)Cc1ccccc1O ZINC001208862306 813871265 /nfs/dbraw/zinc/87/12/65/813871265.db2.gz HTWSMKXCGJLHCJ-UHFFFAOYSA-N 1 1 280.371 3.328 20 30 CGEDMO C[C@H](C[N@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1)C(F)(F)F ZINC001208887653 813880688 /nfs/dbraw/zinc/88/06/88/813880688.db2.gz OAONVTRBPOZYFR-BWZBUEFSSA-N 1 1 281.215 3.265 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](CC2CCN(c3ccccc3)CC2)C1 ZINC001208911961 813897246 /nfs/dbraw/zinc/89/72/46/813897246.db2.gz KBMKVBAXEXQBGP-KRWDZBQOSA-N 1 1 282.431 3.248 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCOC[C@H]2C2CCCCC2)cc1 ZINC001208928776 813902769 /nfs/dbraw/zinc/90/27/69/813902769.db2.gz IHOLTCPGIBOGOX-IBGZPJMESA-N 1 1 298.430 3.382 20 30 CGEDMO C[C@@]1(C#N)CCN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208944206 813907415 /nfs/dbraw/zinc/90/74/15/813907415.db2.gz OPPIDWBCTHEMLL-OALUTQOASA-N 1 1 297.446 3.134 20 30 CGEDMO C[C@@]1(C#N)CCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208944204 813909008 /nfs/dbraw/zinc/90/90/08/813909008.db2.gz OPPIDWBCTHEMLL-MOPGFXCFSA-N 1 1 297.446 3.134 20 30 CGEDMO CCCCCCC[N@@H+](C)C[C@H]1CCCN(C(C)=O)C1 ZINC001208968829 813911097 /nfs/dbraw/zinc/91/10/97/813911097.db2.gz ZZCHCMLKRJGJAZ-MRXNPFEDSA-N 1 1 268.445 3.147 20 30 CGEDMO C=CCN(CC[N@@H+]1CCCC[C@H]1CCC)C(=O)OCC ZINC001209020823 813917812 /nfs/dbraw/zinc/91/78/12/813917812.db2.gz CIZACQGXHQPMEO-OAHLLOKOSA-N 1 1 282.428 3.286 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](CCc2ccc(F)cc2Cl)C1 ZINC001209114867 813937914 /nfs/dbraw/zinc/93/79/14/813937914.db2.gz WFXVXIFWMWCZLW-GFCCVEGCSA-N 1 1 265.759 3.367 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2OCC1CC1 ZINC001209160801 813951824 /nfs/dbraw/zinc/95/18/24/813951824.db2.gz CKMHTSBFLBYZKX-IKGGRYGDSA-N 1 1 263.425 3.480 20 30 CGEDMO C=CCCC[N@@H+](Cc1cccc(OC)c1)[C@H](C)COC ZINC001209161622 813953167 /nfs/dbraw/zinc/95/31/67/813953167.db2.gz AODOYKCTHSBDIL-OAHLLOKOSA-N 1 1 277.408 3.498 20 30 CGEDMO C=CCCCC[N@H+]1CCCn2cnc(COCC=C)c2C1 ZINC001209201216 813965507 /nfs/dbraw/zinc/96/55/07/813965507.db2.gz XCBZRUDKIDBSTO-UHFFFAOYSA-N 1 1 289.423 3.148 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@@]2(CCC(=O)N2CC=C)CC1 ZINC001209203798 813966968 /nfs/dbraw/zinc/96/69/68/813966968.db2.gz VZRQAKUIZXWJSK-GOSISDBHSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCCCC[N@@H+](Cc1cccnc1)C1CCOCC1 ZINC001209202406 813967032 /nfs/dbraw/zinc/96/70/32/813967032.db2.gz GJDQLVIZTGHUQG-UHFFFAOYSA-N 1 1 274.408 3.419 20 30 CGEDMO C=CCCCC[N@@H+]1C[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC001209208632 813968076 /nfs/dbraw/zinc/96/80/76/813968076.db2.gz VMTDRIPRZOYWQA-KGLIPLIRSA-N 1 1 282.428 3.330 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@H](CC(=O)OC(C)(C)C)C1 ZINC001209206807 813968627 /nfs/dbraw/zinc/96/86/27/813968627.db2.gz BDKSIYQFOUEDHU-CQSZACIVSA-N 1 1 267.413 3.396 20 30 CGEDMO COc1cc(C#N)ccc1Nc1cc[nH+]cc1C(F)(F)F ZINC001209235182 813978949 /nfs/dbraw/zinc/97/89/49/813978949.db2.gz VSAAWZCUWZWFEL-UHFFFAOYSA-N 1 1 293.248 3.146 20 30 CGEDMO C#CCCC[NH+]1CC(Oc2ccc(C(F)(F)F)cc2)C1 ZINC001209268400 813989225 /nfs/dbraw/zinc/98/92/25/813989225.db2.gz HHWBEJGDZCWHSV-UHFFFAOYSA-N 1 1 283.293 3.182 20 30 CGEDMO C#CCCC[N@@H+]1CC[C@@H](Sc2ccccc2OC)C1 ZINC001209268346 813989407 /nfs/dbraw/zinc/98/94/07/813989407.db2.gz ZOCSYKKCSMDLEW-CQSZACIVSA-N 1 1 275.417 3.275 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@H](Cc2cccc(OC)c2)C1 ZINC001209268174 813989497 /nfs/dbraw/zinc/98/94/97/813989497.db2.gz WCOJHLZMMBNNNB-QGZVFWFLSA-N 1 1 271.404 3.363 20 30 CGEDMO C#CCCC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](CCC)C1 ZINC001209270313 813989627 /nfs/dbraw/zinc/98/96/27/813989627.db2.gz ZBSVSFCRVFUPQH-HNNXBMFYSA-N 1 1 294.439 3.121 20 30 CGEDMO C[C@@H]1C[C@@H](C[N@@H+](C)Cc2ccc(C#N)cc2)C[C@H](C)O1 ZINC001209387388 814008663 /nfs/dbraw/zinc/00/86/63/814008663.db2.gz GWSQIRUNAVKYJT-XOIINTDNSA-N 1 1 272.392 3.194 20 30 CGEDMO COC1CCC(C[N@H+]2CCc3cc(C#N)ccc3C2)CC1 ZINC001209397687 814014641 /nfs/dbraw/zinc/01/46/41/814014641.db2.gz XSENBMHXAYOKRF-UHFFFAOYSA-N 1 1 284.403 3.122 20 30 CGEDMO C=CCCCCC[N@H+]1Cc2c(cnn2C)[C@@H](COCC)C1 ZINC001209422733 814024399 /nfs/dbraw/zinc/02/43/99/814024399.db2.gz GRLYLUKCEREEOA-OAHLLOKOSA-N 1 1 291.439 3.102 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001209423154 814026170 /nfs/dbraw/zinc/02/61/70/814026170.db2.gz PFGBOYZRQHHWCH-GASCZTMLSA-N 1 1 294.439 3.426 20 30 CGEDMO C=CCCCCCC[N@@H+]1CCC[C@](O)(CF)CC1 ZINC001209431610 814031381 /nfs/dbraw/zinc/03/13/81/814031381.db2.gz QMOQPBCMHDAWBJ-OAHLLOKOSA-N 1 1 257.393 3.309 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](Oc2cc(OC)ccn2)C1 ZINC001209432844 814033487 /nfs/dbraw/zinc/03/34/87/814033487.db2.gz KSDDCZRCABXIFT-MRXNPFEDSA-N 1 1 290.407 3.290 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@H](Oc2ncccn2)C1 ZINC001209432570 814034067 /nfs/dbraw/zinc/03/40/67/814034067.db2.gz HEDBAZWYRICTDO-HNNXBMFYSA-N 1 1 275.396 3.066 20 30 CGEDMO C=CCCCCCC[N@@H+]1CC[C@H](C(=O)OCC)C1 ZINC001209436477 814036582 /nfs/dbraw/zinc/03/65/82/814036582.db2.gz RTMVPDSVKPZTRR-AWEZNQCLSA-N 1 1 253.386 3.008 20 30 CGEDMO C=CCCCCCC[N@@H+]1Cc2ccnn2C[C@@H](COC)C1 ZINC001209437829 814037532 /nfs/dbraw/zinc/03/75/32/814037532.db2.gz VZDGIMGKPAMQNQ-INIZCTEOSA-N 1 1 291.439 3.098 20 30 CGEDMO C=CCCCCCC[N@H+]1CCC[C@@H](Oc2ncccn2)C1 ZINC001209440873 814040907 /nfs/dbraw/zinc/04/09/07/814040907.db2.gz QOXZTEJIKRCLJQ-MRXNPFEDSA-N 1 1 289.423 3.456 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CCc2c(ncn2C)C1 ZINC001209441336 814041253 /nfs/dbraw/zinc/04/12/53/814041253.db2.gz HYIVBDAHBLSJBA-UHFFFAOYSA-N 1 1 261.413 3.305 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CCCN(C(C)=O)CC1 ZINC001209443484 814042831 /nfs/dbraw/zinc/04/28/31/814042831.db2.gz SYEFPIGUVQHZBO-UHFFFAOYSA-N 1 1 280.456 3.457 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CCO[C@@H](C(C)=O)C1 ZINC001209445091 814044756 /nfs/dbraw/zinc/04/47/56/814044756.db2.gz FGEHRDXCOMRGDF-MRXNPFEDSA-N 1 1 267.413 3.193 20 30 CGEDMO C=CCCCCCCCC[N@H+]1CCO[C@@H](C(C)=O)C1 ZINC001209445091 814044765 /nfs/dbraw/zinc/04/47/65/814044765.db2.gz FGEHRDXCOMRGDF-MRXNPFEDSA-N 1 1 267.413 3.193 20 30 CGEDMO C=CCCCCCCCC[NH+]1CC(OCCOC)C1 ZINC001209446428 814046120 /nfs/dbraw/zinc/04/61/20/814046120.db2.gz YWOHHLONBXIKBG-UHFFFAOYSA-N 1 1 269.429 3.250 20 30 CGEDMO C=CCCCCCCCC[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC001209446328 814046154 /nfs/dbraw/zinc/04/61/54/814046154.db2.gz WMEREWKUDWXYGS-QGZVFWFLSA-N 1 1 294.439 3.478 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2c[nH]c3ncc(Cl)cc23)C1 ZINC001209599071 814096385 /nfs/dbraw/zinc/09/63/85/814096385.db2.gz IHGOOCBVTZWBNV-LLVKDONJSA-N 1 1 273.767 3.062 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cn(C)c2ncccc12 ZINC001209750304 814129219 /nfs/dbraw/zinc/12/92/19/814129219.db2.gz HMMPIOTULPAXKC-UHFFFAOYSA-N 1 1 257.381 3.361 20 30 CGEDMO N#Cc1cc(F)c(Nc2ccc3[nH]c[nH+]c3c2)c(F)c1 ZINC001209847657 814165841 /nfs/dbraw/zinc/16/58/41/814165841.db2.gz UMJQGPIERITEOE-UHFFFAOYSA-N 1 1 270.242 3.456 20 30 CGEDMO Cc1ccc(-c2ccccc2C#N)c(C[NH+]2CCOCC2)c1 ZINC001242716648 823110593 /nfs/dbraw/zinc/11/05/93/823110593.db2.gz FGEHLKGJMDIZTA-UHFFFAOYSA-N 1 1 292.382 3.366 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001210225304 814353209 /nfs/dbraw/zinc/35/32/09/814353209.db2.gz DSHARXYEKKJNNK-OWCLPIDISA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](F)CCCCCC)C1 ZINC001210284771 814380054 /nfs/dbraw/zinc/38/00/54/814380054.db2.gz SLKFEMQMVLWSHD-OWCLPIDISA-N 1 1 298.446 3.308 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001210307532 814395754 /nfs/dbraw/zinc/39/57/54/814395754.db2.gz OXDUAHALRITFSD-ARFHVFGLSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](CC)C(C)C)C1 ZINC001210421425 814450732 /nfs/dbraw/zinc/45/07/32/814450732.db2.gz NZJUTYHPMZZWOJ-OWCLPIDISA-N 1 1 280.456 3.071 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nnc(Cc2ccccc2Cl)o1 ZINC001217757944 815954908 /nfs/dbraw/zinc/95/49/08/815954908.db2.gz UFJFSCDTRDDQBB-ZDUSSCGKSA-N 1 1 289.766 3.117 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nnc([C@H]2C[C@@H]2c2ccccc2)o1 ZINC001217757073 815955162 /nfs/dbraw/zinc/95/51/62/815955162.db2.gz DXHFTSHGKHPDNL-ILXRZTDVSA-N 1 1 281.359 3.144 20 30 CGEDMO C#C[C@H](CCCCC)OCCC[C@H]([NH3+])C(=O)OC(C)(C)C ZINC001217835760 815974182 /nfs/dbraw/zinc/97/41/82/815974182.db2.gz RDUCTYXHOOBXTD-CABCVRRESA-N 1 1 297.439 3.034 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCC)[C@@H]2C1 ZINC001221225595 816307046 /nfs/dbraw/zinc/30/70/46/816307046.db2.gz AODOYRUTRBLNQZ-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC(=O)N1C[C@H]2CC[N@H+](CCCCCCC)C[C@H]21 ZINC001221430821 816312854 /nfs/dbraw/zinc/31/28/54/816312854.db2.gz QJURZHURBMOWQF-IAGOWNOFSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)C(C)(C)C)[C@@H]2C1 ZINC001221979346 816339251 /nfs/dbraw/zinc/33/92/51/816339251.db2.gz YSWQTDWKTRXQBK-BZUAXINKSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC(C)(C)CCNC(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC001222114738 816350939 /nfs/dbraw/zinc/35/09/39/816350939.db2.gz IKJFVEDXDASWJX-OAHLLOKOSA-N 1 1 295.471 3.152 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@H]2CC[N@H+](CC(=C)C)[C@H]2C1 ZINC001222762641 816513987 /nfs/dbraw/zinc/51/39/87/816513987.db2.gz FKDURQXCIDMQOM-CVEARBPZSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)C(C)=C2CCC2)CC1 ZINC001223105240 816571414 /nfs/dbraw/zinc/57/14/14/816571414.db2.gz KTQYKZLYRCGBTE-UHFFFAOYSA-N 1 1 296.842 3.068 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C3(C)CCC3)C[C@@H]21 ZINC001223272201 816595288 /nfs/dbraw/zinc/59/52/88/816595288.db2.gz XLFATVUMCIULRO-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NCC1CC[NH+](CC(=C)Cl)CC1 ZINC001224197553 816753285 /nfs/dbraw/zinc/75/32/85/816753285.db2.gz CBKAVOIFRTUMPE-AWEZNQCLSA-N 1 1 298.858 3.169 20 30 CGEDMO CCCCCCCCCOC[C@@H]1C[N@H+](C)CCO1 ZINC001224392963 816792371 /nfs/dbraw/zinc/79/23/71/816792371.db2.gz RCXIIOGXJNTLTC-HNNXBMFYSA-N 1 1 257.418 3.084 20 30 CGEDMO CCCCCCCCCOC[C@@H]1C[N@@H+](C)CCO1 ZINC001224392963 816792375 /nfs/dbraw/zinc/79/23/75/816792375.db2.gz RCXIIOGXJNTLTC-HNNXBMFYSA-N 1 1 257.418 3.084 20 30 CGEDMO C=C[C@]1(C)CC[C@@H](OC[C@H]2CCCC[N@@H+]2C)C(C)(C)O1 ZINC001224705968 816860386 /nfs/dbraw/zinc/86/03/86/816860386.db2.gz HXLJXFZJUWOESK-BFYDXBDKSA-N 1 1 281.440 3.390 20 30 CGEDMO C[N@H+]1[C@@H]2C[C@@H](OCCCCC3CCCCC3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001224766017 816876935 /nfs/dbraw/zinc/87/69/35/816876935.db2.gz BMKXABWBRQXHNY-PFJGLKMASA-N 1 1 293.451 3.366 20 30 CGEDMO C[N@@H+]1[C@@H]2C[C@@H](OCCCCC3CCCCC3)C[C@H]1[C@@H]1O[C@@H]12 ZINC001224766017 816876942 /nfs/dbraw/zinc/87/69/42/816876942.db2.gz BMKXABWBRQXHNY-PFJGLKMASA-N 1 1 293.451 3.366 20 30 CGEDMO C#C[C@H](CC)OC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001224830147 816892333 /nfs/dbraw/zinc/89/23/33/816892333.db2.gz MOVAEZZNUFPPLS-QZTJIDSGSA-N 1 1 271.404 3.327 20 30 CGEDMO C=C(CC)CNC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001224846132 816893608 /nfs/dbraw/zinc/89/36/08/816893608.db2.gz SQKBOFDQAITSTL-GASCZTMLSA-N 1 1 295.471 3.008 20 30 CGEDMO C[NH+](C)Cc1ncccc1O[C@H](CC#N)c1ccccc1 ZINC001225276910 816990611 /nfs/dbraw/zinc/99/06/11/816990611.db2.gz CESJDGBZBJJNLL-MRXNPFEDSA-N 1 1 281.359 3.177 20 30 CGEDMO C[N@H+]1CC[C@H](Oc2ccc(-c3ccc(C#N)cc3)cc2)C1 ZINC001225335806 817015250 /nfs/dbraw/zinc/01/52/50/817015250.db2.gz WFFFOSLHAQDBEO-SFHVURJKSA-N 1 1 278.355 3.308 20 30 CGEDMO C[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2C(F)(F)F)C1 ZINC001227162146 817576926 /nfs/dbraw/zinc/57/69/26/817576926.db2.gz HQZAJTQWLDDNOG-NSHDSACASA-N 1 1 284.281 3.050 20 30 CGEDMO CC[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2C(F)(F)F)C1 ZINC001227161888 817577011 /nfs/dbraw/zinc/57/70/11/817577011.db2.gz AVGQSBXJIHDSQS-LBPRGKRZSA-N 1 1 298.308 3.440 20 30 CGEDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1cc(Cl)ccc1C#N ZINC001228084796 817807174 /nfs/dbraw/zinc/80/71/74/817807174.db2.gz NGOPEBAAZWVHEL-YWVIFJGQSA-N 1 1 290.794 3.321 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H](Oc2cc(F)c(C#N)c(F)c2)C1 ZINC001228225281 817843058 /nfs/dbraw/zinc/84/30/58/817843058.db2.gz YFLYPHRDWCVIAQ-LLVKDONJSA-N 1 1 280.318 3.088 20 30 CGEDMO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@@H]1CCc2ccccc21 ZINC001231171199 818050492 /nfs/dbraw/zinc/05/04/92/818050492.db2.gz YWJBFTSKIZKFOL-SJLPKXTDSA-N 1 1 298.430 3.173 20 30 CGEDMO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1CCCC(C)(C)C ZINC001231169273 818051020 /nfs/dbraw/zinc/05/10/20/818051020.db2.gz FESTYZKSSMRXAK-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001231616405 818138249 /nfs/dbraw/zinc/13/82/49/818138249.db2.gz BQSLCBKTRSODNV-AWEZNQCLSA-N 1 1 298.308 3.136 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c1 ZINC001231623366 818138767 /nfs/dbraw/zinc/13/87/67/818138767.db2.gz DVBMXPFBNMVAHF-OFQRWUPVSA-N 1 1 261.340 3.184 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)CCc1cccc(F)c1 ZINC001231620591 818138910 /nfs/dbraw/zinc/13/89/10/818138910.db2.gz FUXKYVKZKCUUMQ-UHFFFAOYSA-N 1 1 298.361 3.380 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)c1 ZINC001231658969 818150122 /nfs/dbraw/zinc/15/01/22/818150122.db2.gz BZPVMZJJOUQNLG-IBGZPJMESA-N 1 1 277.367 3.321 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccnc(C(F)F)c2)C1 ZINC001231890134 818204249 /nfs/dbraw/zinc/20/42/49/818204249.db2.gz UXRFTMAUQKONGG-NSHDSACASA-N 1 1 265.307 3.145 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccnc(C(F)F)c2)C1 ZINC001231890134 818204252 /nfs/dbraw/zinc/20/42/52/818204252.db2.gz UXRFTMAUQKONGG-NSHDSACASA-N 1 1 265.307 3.145 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ncccc1C(F)(F)F ZINC001231963460 818217172 /nfs/dbraw/zinc/21/71/72/818217172.db2.gz CZLVADAMRFBZMP-CNDDSTCGSA-N 1 1 295.308 3.367 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ncccc1C(F)(F)F ZINC001231963460 818217176 /nfs/dbraw/zinc/21/71/76/818217176.db2.gz CZLVADAMRFBZMP-CNDDSTCGSA-N 1 1 295.308 3.367 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1cncc(O)c1 ZINC001232042230 818239388 /nfs/dbraw/zinc/23/93/88/818239388.db2.gz PUHYAVRISJFZKG-UHFFFAOYSA-N 1 1 268.360 3.366 20 30 CGEDMO C=CCC[N@H+](Cc1ccc(C(=O)OC)[nH]1)Cc1ccccc1 ZINC001232075581 818246475 /nfs/dbraw/zinc/24/64/75/818246475.db2.gz FRDVCZOCDQFAIJ-UHFFFAOYSA-N 1 1 298.386 3.380 20 30 CGEDMO CC(C)O[C@H]1CC[N@@H+](Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232115708 818260059 /nfs/dbraw/zinc/26/00/59/818260059.db2.gz ABSJOIBODFHDNR-AWEZNQCLSA-N 1 1 278.783 3.211 20 30 CGEDMO C[NH+](C)Cc1cc(F)cc(CN2CCC[C@@H](CC#N)C2)c1 ZINC001232146212 818264214 /nfs/dbraw/zinc/26/42/14/818264214.db2.gz LVHSOJGWVMZBDN-AWEZNQCLSA-N 1 1 289.398 3.013 20 30 CGEDMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C#N)CC2)c(C)c1 ZINC001232188921 818273259 /nfs/dbraw/zinc/27/32/59/818273259.db2.gz VWDVWCGZTXDGRB-HNNXBMFYSA-N 1 1 285.391 3.079 20 30 CGEDMO COCc1ccc(C[N@H+]2CCc3ccc(C#N)cc3C2)cc1 ZINC001232299012 818306965 /nfs/dbraw/zinc/30/69/65/818306965.db2.gz ZRKQOZOMDWFXQY-UHFFFAOYSA-N 1 1 292.382 3.263 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)o2)C1 ZINC001232445626 818352287 /nfs/dbraw/zinc/35/22/87/818352287.db2.gz TVEZSHPCCQZANT-JTQLQIEISA-N 1 1 257.255 3.144 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)o2)C1 ZINC001232445626 818352292 /nfs/dbraw/zinc/35/22/92/818352292.db2.gz TVEZSHPCCQZANT-JTQLQIEISA-N 1 1 257.255 3.144 20 30 CGEDMO CCc1ccc(C[N@@H+](C)Cc2cc(C#N)ccn2)cc1 ZINC001232477965 818364999 /nfs/dbraw/zinc/36/49/99/818364999.db2.gz GBVCTFUVRLMTAW-UHFFFAOYSA-N 1 1 265.360 3.148 20 30 CGEDMO C=CC[N@@H+](Cc1c[nH]c2nccnc12)C1CCCCC1 ZINC001232549002 818383145 /nfs/dbraw/zinc/38/31/45/818383145.db2.gz PARKBLPKWNSIEF-UHFFFAOYSA-N 1 1 270.380 3.230 20 30 CGEDMO N#Cc1ccc([O-])c(C[N@H+]2CC[C@@H]2c2ccccc2)c1 ZINC001232679006 818416900 /nfs/dbraw/zinc/41/69/00/818416900.db2.gz YEYPVDSBEHCDBX-MRXNPFEDSA-N 1 1 264.328 3.211 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1cccc2ncsc21 ZINC001232733708 818427983 /nfs/dbraw/zinc/42/79/83/818427983.db2.gz RYMSGFIMYLXETA-UHFFFAOYSA-N 1 1 259.378 3.422 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1cccc2ncsc21 ZINC001232733708 818427986 /nfs/dbraw/zinc/42/79/86/818427986.db2.gz RYMSGFIMYLXETA-UHFFFAOYSA-N 1 1 259.378 3.422 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(C(C)(C)O)nc1)C(C)(C)C ZINC001232828057 818450812 /nfs/dbraw/zinc/45/08/12/818450812.db2.gz XKPFNCYXNIDGNZ-UHFFFAOYSA-N 1 1 262.397 3.096 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](F)CC1 ZINC001232888685 818465091 /nfs/dbraw/zinc/46/50/91/818465091.db2.gz LAUAONQWLMEKSP-CYBMUJFWSA-N 1 1 250.292 3.021 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](F)CC1 ZINC001232888685 818465096 /nfs/dbraw/zinc/46/50/96/818465096.db2.gz LAUAONQWLMEKSP-CYBMUJFWSA-N 1 1 250.292 3.021 20 30 CGEDMO N#Cc1cc[nH]c1C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC001233047528 818508697 /nfs/dbraw/zinc/50/86/97/818508697.db2.gz BXUZAQGMMWVHDK-CQSZACIVSA-N 1 1 269.323 3.015 20 30 CGEDMO N#Cc1cc[nH]c1C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC001233047528 818508701 /nfs/dbraw/zinc/50/87/01/818508701.db2.gz BXUZAQGMMWVHDK-CQSZACIVSA-N 1 1 269.323 3.015 20 30 CGEDMO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1C ZINC001233082237 818519800 /nfs/dbraw/zinc/51/98/00/818519800.db2.gz HIHZAAKMLLOFPB-SJPCQFCGSA-N 1 1 270.376 3.009 20 30 CGEDMO CN(C)c1ccc(C[NH+]2CCC(C)(F)CC2)c(F)c1C#N ZINC001233095888 818521758 /nfs/dbraw/zinc/52/17/58/818521758.db2.gz BKGKCCIDCWYOEL-UHFFFAOYSA-N 1 1 293.361 3.087 20 30 CGEDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CC[C@@](C)(C#N)C2)c1 ZINC001233286652 818568582 /nfs/dbraw/zinc/56/85/82/818568582.db2.gz DBTRMOCZJNSZIA-KRWDZBQOSA-N 1 1 272.392 3.425 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2cc3cccnc3s2)CC1 ZINC001233348504 818592234 /nfs/dbraw/zinc/59/22/34/818592234.db2.gz DYRHAROWKLMMGL-LBPRGKRZSA-N 1 1 271.389 3.422 20 30 CGEDMO N#CCC1CC[NH+](Cc2cnc3cccc(Cl)n23)CC1 ZINC001233358315 818596587 /nfs/dbraw/zinc/59/65/87/818596587.db2.gz BVKGQFNDLLYBMQ-UHFFFAOYSA-N 1 1 288.782 3.113 20 30 CGEDMO N#CCC[N@@H+](Cc1cccc(N)n1)C1CCCCCCC1 ZINC001233371339 818599235 /nfs/dbraw/zinc/59/92/35/818599235.db2.gz LHZIJRILRGZEBO-UHFFFAOYSA-N 1 1 286.423 3.492 20 30 CGEDMO N#CCC[N@H+](Cc1cccc(N)n1)C1CCCCCCC1 ZINC001233371339 818599239 /nfs/dbraw/zinc/59/92/39/818599239.db2.gz LHZIJRILRGZEBO-UHFFFAOYSA-N 1 1 286.423 3.492 20 30 CGEDMO N#Cc1ccc(C[NH+]2CCC(C(F)(F)F)CC2)c(O)c1 ZINC001233383507 818604467 /nfs/dbraw/zinc/60/44/67/818604467.db2.gz KNGGLBOSTCDWMA-UHFFFAOYSA-N 1 1 284.281 3.038 20 30 CGEDMO N#Cc1ccc(C[NH+]2CCC3(CC[C@@H](F)C3)CC2)c(O)c1 ZINC001233387175 818607652 /nfs/dbraw/zinc/60/76/52/818607652.db2.gz XZELFKHIVSTPCW-OAHLLOKOSA-N 1 1 288.366 3.368 20 30 CGEDMO Oc1c(C[NH+]2CCC(S)CC2)cccc1C(F)(F)F ZINC001233418319 818615309 /nfs/dbraw/zinc/61/53/09/818615309.db2.gz BKPIKJKAIJYHFD-UHFFFAOYSA-N 1 1 291.338 3.305 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c[nH]c(Br)c1 ZINC001233437888 818620493 /nfs/dbraw/zinc/62/04/93/818620493.db2.gz SCKUZCQMOPKUDS-WLLOZRIZSA-N 1 1 294.196 3.044 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]c(Br)c1 ZINC001233437888 818620495 /nfs/dbraw/zinc/62/04/95/818620495.db2.gz SCKUZCQMOPKUDS-WLLOZRIZSA-N 1 1 294.196 3.044 20 30 CGEDMO CCCCCCC[N@@H+](C)CCCNC(=O)[C@H]1C[C@H]1C ZINC001233519122 818631403 /nfs/dbraw/zinc/63/14/03/818631403.db2.gz ZVSUUZNVRRZZAS-CABCVRRESA-N 1 1 268.445 3.051 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)=C1CCCC1 ZINC001233590922 818651181 /nfs/dbraw/zinc/65/11/81/818651181.db2.gz UUOSLCRJWFATNR-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccoc1Cl ZINC001233915005 818730406 /nfs/dbraw/zinc/73/04/06/818730406.db2.gz JWVPLRNKOUXQOU-GFCCVEGCSA-N 1 1 296.798 3.046 20 30 CGEDMO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CCCCCCC ZINC001233946438 818737804 /nfs/dbraw/zinc/73/78/04/818737804.db2.gz BKUVKJNABHITNI-KRWDZBQOSA-N 1 1 292.467 3.293 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H](Oc2ccc3cc(C#N)[nH]c3c2)C1 ZINC001233994788 818750198 /nfs/dbraw/zinc/75/01/98/818750198.db2.gz WLSGCAKSIOYKBG-MRXNPFEDSA-N 1 1 283.375 3.291 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccsc1C ZINC001234141510 818789084 /nfs/dbraw/zinc/78/90/84/818789084.db2.gz PAUHZNISRHCFTN-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C#C[C@H](CCCC)Oc1cccc2c1CC[N@@H+](C)C2 ZINC001234424015 818851916 /nfs/dbraw/zinc/85/19/16/818851916.db2.gz MYFOAPYGSLPHFK-OAHLLOKOSA-N 1 1 257.377 3.245 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCCCC(C)(C)C ZINC001234478419 818863999 /nfs/dbraw/zinc/86/39/99/818863999.db2.gz PKSGVESIZPWBNS-INIZCTEOSA-N 1 1 292.467 3.149 20 30 CGEDMO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)CCCCC(C)(C)C ZINC001234478419 818864007 /nfs/dbraw/zinc/86/40/07/818864007.db2.gz PKSGVESIZPWBNS-INIZCTEOSA-N 1 1 292.467 3.149 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)CCC[C@@H](C)CCC ZINC001234547416 818881565 /nfs/dbraw/zinc/88/15/65/818881565.db2.gz RSVDERCXTDYWBJ-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCCCCCCCN1CCC2(C[NH2+]C2)C1 ZINC001235024428 818979944 /nfs/dbraw/zinc/97/99/44/818979944.db2.gz LNTUJGSNQLCSEL-UHFFFAOYSA-N 1 1 250.430 3.198 20 30 CGEDMO CCCCCCC[N@@H+](C)CCCNC(=O)c1ncoc1C ZINC001235044562 818990342 /nfs/dbraw/zinc/99/03/42/818990342.db2.gz XSRCRWDZHGXHTK-UHFFFAOYSA-N 1 1 295.427 3.005 20 30 CGEDMO CC[N@H+](CCC#N)Cc1cccc(N2CCCC2)c1 ZINC001235094062 818999950 /nfs/dbraw/zinc/99/99/50/818999950.db2.gz WSWZPSFWSZCZDJ-UHFFFAOYSA-N 1 1 257.381 3.022 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1cccc(N2CCCC2)c1 ZINC001235094062 818999953 /nfs/dbraw/zinc/99/99/53/818999953.db2.gz WSWZPSFWSZCZDJ-UHFFFAOYSA-N 1 1 257.381 3.022 20 30 CGEDMO C=C(C)[C@@H]1CC=C(CN2CCC23CC[NH2+]CC3)CC1 ZINC001235101858 819002757 /nfs/dbraw/zinc/00/27/57/819002757.db2.gz HPBXQDGVEXMHPG-MRXNPFEDSA-N 1 1 260.425 3.117 20 30 CGEDMO Cc1ccc(CN2CCC([C@H]3CCCC[NH2+]3)CC2)c(C#N)c1 ZINC001235242098 819046524 /nfs/dbraw/zinc/04/65/24/819046524.db2.gz RBWYZXGMZVPUOX-LJQANCHMSA-N 1 1 297.446 3.221 20 30 CGEDMO Cc1cc(OC(C)C)ncc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001235429961 819094475 /nfs/dbraw/zinc/09/44/75/819094475.db2.gz VRZJMNUBKPUCTO-XGBSXSJOSA-N 1 1 299.418 3.444 20 30 CGEDMO C=CCCC(=O)NCCC[N@H+](C)Cc1ccc(C)c(C)c1 ZINC001235451786 819102298 /nfs/dbraw/zinc/10/22/98/819102298.db2.gz PHPCJJNSNQPXKB-UHFFFAOYSA-N 1 1 288.435 3.208 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2c[nH]c3cnc(Cl)cc23)C1 ZINC001235520419 819114385 /nfs/dbraw/zinc/11/43/85/819114385.db2.gz KQDZRUHBBZDZSQ-NSHDSACASA-N 1 1 273.767 3.062 20 30 CGEDMO C[C@H]1C(=O)CC[N@@H+](Cc2ccccc2CC#N)C12CCCC2 ZINC001235526116 819115907 /nfs/dbraw/zinc/11/59/07/819115907.db2.gz AVMVISUEQFWVSE-HNNXBMFYSA-N 1 1 296.414 3.476 20 30 CGEDMO COc1ccc(C#N)cc1-c1[nH+]ccc2c1ccn2C ZINC001236536619 819526793 /nfs/dbraw/zinc/52/67/93/819526793.db2.gz XTWWUBMYRQNOPJ-UHFFFAOYSA-N 1 1 263.300 3.121 20 30 CGEDMO C=CC[NH+]1CCN(Cc2cccc3sccc32)CC1 ZINC001236678667 819569532 /nfs/dbraw/zinc/56/95/32/819569532.db2.gz FPBHXHCQCWJDGZ-UHFFFAOYSA-N 1 1 272.417 3.205 20 30 CGEDMO C#CC[N@@H+](C)Cc1cccc(F)c1NC(=O)OC(C)(C)C ZINC001237370813 819736946 /nfs/dbraw/zinc/73/69/46/819736946.db2.gz FKBCAVJWMMTOQT-UHFFFAOYSA-N 1 1 292.354 3.238 20 30 CGEDMO C#CC[N@H+](C)Cc1cccc(F)c1NC(=O)OC(C)(C)C ZINC001237370813 819736948 /nfs/dbraw/zinc/73/69/48/819736948.db2.gz FKBCAVJWMMTOQT-UHFFFAOYSA-N 1 1 292.354 3.238 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@H](CC#N)C2)c2cc(C#N)ccc21 ZINC001237469832 819759759 /nfs/dbraw/zinc/75/97/59/819759759.db2.gz CNPBAPDBTUQOSM-CQSZACIVSA-N 1 1 292.386 3.176 20 30 CGEDMO CC[C@@H]1CCC[N@H+]1Cc1cc(C#N)c(F)cc1F ZINC001237530967 819771726 /nfs/dbraw/zinc/77/17/26/819771726.db2.gz UNHMIWSWLANZQN-GFCCVEGCSA-N 1 1 250.292 3.211 20 30 CGEDMO CCC[N@H+](Cc1cn2cc(C#N)ccc2n1)CC(C)C ZINC001237617753 819787378 /nfs/dbraw/zinc/78/73/78/819787378.db2.gz NDUQFGLKSUISFR-UHFFFAOYSA-N 1 1 270.380 3.074 20 30 CGEDMO CO[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)CC1 ZINC001237752094 819836913 /nfs/dbraw/zinc/83/69/13/819836913.db2.gz SGGWDVIHJGRUKN-HNNXBMFYSA-N 1 1 278.783 3.213 20 30 CGEDMO CC[N@H+](CCC#N)Cc1ccccc1C1CCOCC1 ZINC001237903318 819876212 /nfs/dbraw/zinc/87/62/12/819876212.db2.gz GUCAHTQAKBYPOO-UHFFFAOYSA-N 1 1 272.392 3.316 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1ccccc1C1CCOCC1 ZINC001237903318 819876221 /nfs/dbraw/zinc/87/62/21/819876221.db2.gz GUCAHTQAKBYPOO-UHFFFAOYSA-N 1 1 272.392 3.316 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@@H](C)[C@@H](C)C2)ccc1C#N ZINC001238410859 819988676 /nfs/dbraw/zinc/98/86/76/819988676.db2.gz VDAWCFGBNLXGEN-KGLIPLIRSA-N 1 1 272.392 3.435 20 30 CGEDMO COc1cc(C[NH+]2CC(CC#N)C2)c(-c2ccccc2)cn1 ZINC001238594318 820054354 /nfs/dbraw/zinc/05/43/54/820054354.db2.gz FFBZGDWKTMILLG-UHFFFAOYSA-N 1 1 293.370 3.103 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cnc(F)c(OC(C)C)c1 ZINC001238601392 820054627 /nfs/dbraw/zinc/05/46/27/820054627.db2.gz SVONCSYJNKGTQL-UHFFFAOYSA-N 1 1 264.344 3.182 20 30 CGEDMO C#CC[NH+](CC#C)Cc1c(C)cc(OC(C)C)cc1C ZINC001238668626 820075908 /nfs/dbraw/zinc/07/59/08/820075908.db2.gz CYWBWIWASJYWDA-UHFFFAOYSA-N 1 1 269.388 3.159 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(F)cc(N3CCCC3)c2)C1 ZINC001238711622 820096588 /nfs/dbraw/zinc/09/65/88/820096588.db2.gz PZEZHSKIKUJIPK-OAHLLOKOSA-N 1 1 286.394 3.271 20 30 CGEDMO CCc1cc(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)ccc1C#N ZINC001238769921 820113602 /nfs/dbraw/zinc/11/36/02/820113602.db2.gz WCWGVRSPISLFRK-JYJNAYRXSA-N 1 1 258.340 3.053 20 30 CGEDMO CCc1cc(C[N@@H+](CCCCCO)C(C)C)ccc1C#N ZINC001238769440 820113666 /nfs/dbraw/zinc/11/36/66/820113666.db2.gz SYJKLVIFCDNFQA-UHFFFAOYSA-N 1 1 288.435 3.494 20 30 CGEDMO CCc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OC)ccc1C#N ZINC001238773795 820114890 /nfs/dbraw/zinc/11/48/90/820114890.db2.gz DBWRFDDOWNBHGA-QYZOEREBSA-N 1 1 298.430 3.368 20 30 CGEDMO CCc1cc(CN2CC[N@H+](CC)CC2(C)C)ccc1C#N ZINC001238772289 820115082 /nfs/dbraw/zinc/11/50/82/820115082.db2.gz NZDDHRPMMIQVCX-UHFFFAOYSA-N 1 1 285.435 3.037 20 30 CGEDMO Cc1ccc(-c2ccc(C[NH+]3CC(O)C3)cc2)c(C)c1C#N ZINC001243643261 823473845 /nfs/dbraw/zinc/47/38/45/823473845.db2.gz LPNZRYHQMXHFRR-UHFFFAOYSA-N 1 1 292.382 3.019 20 30 CGEDMO Cc1cccc(-c2c[nH+]c(N(C)C)cc2C)c1C#N ZINC001241242651 821663689 /nfs/dbraw/zinc/66/36/89/821663689.db2.gz IDEJICABNVWVDC-UHFFFAOYSA-N 1 1 251.333 3.303 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1-c1ccccc1CC#N ZINC001241243057 821664693 /nfs/dbraw/zinc/66/46/93/821664693.db2.gz NXFDVDNPQRCMRX-UHFFFAOYSA-N 1 1 251.333 3.189 20 30 CGEDMO Cc1c(C#N)c(C2=CC[N@@H+](C)CC2)nc2ccccc12 ZINC001241312993 821724164 /nfs/dbraw/zinc/72/41/64/821724164.db2.gz RCKFZKGSCABTAG-UHFFFAOYSA-N 1 1 263.344 3.134 20 30 CGEDMO C[N@@H+]1CC=C(c2ccc3cc(C#N)sc3c2)CC1 ZINC001241319082 821729262 /nfs/dbraw/zinc/72/92/62/821729262.db2.gz ABQBVSZMODPRRC-UHFFFAOYSA-N 1 1 254.358 3.492 20 30 CGEDMO Cc1cc(N)[nH+]cc1-c1ccc(C#C[Si](C)(C)C)nc1 ZINC001242095674 822349114 /nfs/dbraw/zinc/34/91/14/822349114.db2.gz LLHRYLPKGQHFTP-UHFFFAOYSA-N 1 1 281.435 3.263 20 30 CGEDMO C[N@H+]1CCCC[C@@H]1c1ccc(-c2ccc(O)c(C#N)c2)nc1 ZINC001242562891 823033452 /nfs/dbraw/zinc/03/34/52/823033452.db2.gz KWMXERQFIPTCOG-QGZVFWFLSA-N 1 1 293.370 3.483 20 30 CGEDMO C=C1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001335416571 936144556 /nfs/dbraw/zinc/14/45/56/936144556.db2.gz JIEUBSVYNBYUEQ-INIZCTEOSA-N 1 1 293.455 3.003 20 30 CGEDMO C=CCn1cnn(C[N@H+]2CCC[C@H](C)[C@@H]2CCC)c1=S ZINC001339605877 936379155 /nfs/dbraw/zinc/37/91/55/936379155.db2.gz WDQFHDJSLNBIHO-KBPBESRZSA-N 1 1 294.468 3.458 20 30 CGEDMO C=CCn1cnn(C[N@@H+]2CCC[C@H](C)[C@@H]2CCC)c1=S ZINC001339605877 936379159 /nfs/dbraw/zinc/37/91/59/936379159.db2.gz WDQFHDJSLNBIHO-KBPBESRZSA-N 1 1 294.468 3.458 20 30 CGEDMO C#CC[N@H+](CC1CC1)[C@H](C)c1nc(-c2cccs2)no1 ZINC001345029207 936798037 /nfs/dbraw/zinc/79/80/37/936798037.db2.gz GWOMOIAGAYZOOV-LLVKDONJSA-N 1 1 287.388 3.204 20 30 CGEDMO C#CC[N@@H+](CC1CC1)[C@H](C)c1nc(-c2cccs2)no1 ZINC001345029207 936798039 /nfs/dbraw/zinc/79/80/39/936798039.db2.gz GWOMOIAGAYZOOV-LLVKDONJSA-N 1 1 287.388 3.204 20 30 CGEDMO COc1ccc(C[C@H](C)[N@@H+](C)C[C@H](C)CCC#N)cc1 ZINC001349595657 936953290 /nfs/dbraw/zinc/95/32/90/936953290.db2.gz CLUAUPYMIXGJJI-CABCVRRESA-N 1 1 274.408 3.498 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](CN2C(=O)C[C@@H]2Cc2ccccc2)C1 ZINC001350480699 936992401 /nfs/dbraw/zinc/99/24/01/936992401.db2.gz YIWLSEZGCASJAW-MSOLQXFVSA-N 1 1 298.430 3.076 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)/C(C)=C\CC)C1 ZINC001480246548 937040714 /nfs/dbraw/zinc/04/07/14/937040714.db2.gz YLTBKAQXJIWMMW-UJPCXNRSSA-N 1 1 278.440 3.137 20 30 CGEDMO CC(C)c1cc([C@@H]2CCC[N@H+](CCCC#N)C2)n[nH]1 ZINC001352942311 937054320 /nfs/dbraw/zinc/05/43/20/937054320.db2.gz XISWFTQWJDBIGQ-CYBMUJFWSA-N 1 1 260.385 3.016 20 30 CGEDMO CC(C)c1cc([C@@H]2CCC[N@@H+](CCCC#N)C2)n[nH]1 ZINC001352942311 937054322 /nfs/dbraw/zinc/05/43/22/937054322.db2.gz XISWFTQWJDBIGQ-CYBMUJFWSA-N 1 1 260.385 3.016 20 30 CGEDMO CC(C)(C)N1CC[NH+](CCCCC2(C#N)CCC2)CC1 ZINC001354393707 937100825 /nfs/dbraw/zinc/10/08/25/937100825.db2.gz INAGMVJNXWSNOP-UHFFFAOYSA-N 1 1 277.456 3.267 20 30 CGEDMO C[C@H]1CSCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001354699548 937110419 /nfs/dbraw/zinc/11/04/19/937110419.db2.gz GSGIYJWQSMWTBK-LLVKDONJSA-N 1 1 280.824 3.397 20 30 CGEDMO C=C(C)C[N@H+](C)CCNC(=O)CC[C@@H](C)c1ccccc1 ZINC001480921780 926795928 /nfs/dbraw/zinc/79/59/28/926795928.db2.gz URYGHHKRGRPHGX-MRXNPFEDSA-N 1 1 288.435 3.194 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)C1(C)C(C)(C)C1(C)C ZINC001480955296 926837925 /nfs/dbraw/zinc/83/79/25/926837925.db2.gz FFPHZHMHZXQSRX-CQSZACIVSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)CCC(C)C ZINC001481026541 926864571 /nfs/dbraw/zinc/86/45/71/926864571.db2.gz ZGCVRHJVNKCALY-JKSUJKDBSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)CCC(C)C ZINC001481026539 926864870 /nfs/dbraw/zinc/86/48/70/926864870.db2.gz ZGCVRHJVNKCALY-HOTGVXAUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1CC[N@H+](CC2CC(C)C2)C1 ZINC001481105569 926886566 /nfs/dbraw/zinc/88/65/66/926886566.db2.gz KZEXUUKUFCMBHN-HWOWSKLDSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)C[C@@H]1CC[C@H](C)C1)C(C)C ZINC001481353513 926964555 /nfs/dbraw/zinc/96/45/55/926964555.db2.gz JRRUWHZGQKOVEW-JKSUJKDBSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)[C@]1(C)C=CCC1)C(C)C ZINC001481354090 926964873 /nfs/dbraw/zinc/96/48/73/926964873.db2.gz WWPQAVBHTMFXRJ-QGZVFWFLSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CCC)C(=O)C2CCC2)C1 ZINC001481389934 926972377 /nfs/dbraw/zinc/97/23/77/926972377.db2.gz YLGFPMYRJSTSDY-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)C(CC)CC)C1 ZINC001481392506 926975601 /nfs/dbraw/zinc/97/56/01/926975601.db2.gz JGYAGZXMAJASSS-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](CC)CCCCC)C1 ZINC001481530698 927016929 /nfs/dbraw/zinc/01/69/29/927016929.db2.gz OHUOSFIFHWAWDV-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC(CC)CC ZINC001481677318 927056226 /nfs/dbraw/zinc/05/62/26/927056226.db2.gz ZHENCDKRZCQTSJ-HOTGVXAUSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001481699264 927065658 /nfs/dbraw/zinc/06/56/58/927065658.db2.gz MMEDCJAFBVZTRD-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC(=O)N(C)[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001481722611 927075086 /nfs/dbraw/zinc/07/50/86/927075086.db2.gz XMXFWYSWXJGZIO-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)CC(C)(C)C=C)C1 ZINC001481726284 927075451 /nfs/dbraw/zinc/07/54/51/927075451.db2.gz AZKFACDEUFKWQU-HNNXBMFYSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H](C)C(C)(F)F ZINC001482628799 927333624 /nfs/dbraw/zinc/33/36/24/927333624.db2.gz IBIMCJKQKPTLKM-QWHCGFSZSA-N 1 1 290.398 3.023 20 30 CGEDMO CCCCCCCCCC[N@H+]1C[C@H](CO)OC[C@@H]1C ZINC000168632311 927365360 /nfs/dbraw/zinc/36/53/60/927365360.db2.gz OASSAWOBALOLNA-JKSUJKDBSA-N 1 1 271.445 3.209 20 30 CGEDMO CC#CC[N@H+](C)CCN(C)C(=O)[C@H](CC)CC1CCCC1 ZINC001496793948 927381659 /nfs/dbraw/zinc/38/16/59/927381659.db2.gz POWXISVKRAOARZ-QGZVFWFLSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)C1CCC1 ZINC001483368202 927490871 /nfs/dbraw/zinc/49/08/71/927490871.db2.gz JGKCOYUDHNULLK-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CCC[N@H+](C)C[C@@H](C)NC(=O)CCC1CCCCCC1 ZINC001483362078 927490674 /nfs/dbraw/zinc/49/06/74/927490674.db2.gz BRGBUZOMZJNFDK-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)C(C)(C)CC ZINC001483377830 927492354 /nfs/dbraw/zinc/49/23/54/927492354.db2.gz GZGYZXHCOWCOQE-UONOGXRCSA-N 1 1 268.445 3.214 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CC[N@H+]1[C@H](C)c1ccccc1F ZINC001483635798 927554505 /nfs/dbraw/zinc/55/45/05/927554505.db2.gz NJFMDOCHGZJZJO-ZIAGYGMSSA-N 1 1 290.382 3.043 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)c1ccccc1F ZINC001483635798 927554517 /nfs/dbraw/zinc/55/45/17/927554517.db2.gz NJFMDOCHGZJZJO-ZIAGYGMSSA-N 1 1 290.382 3.043 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@H]2CC[N@@H+]2CCCCCC)C1 ZINC001483678515 927568345 /nfs/dbraw/zinc/56/83/45/927568345.db2.gz ATHHHWUMKYULBB-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001483678868 927569535 /nfs/dbraw/zinc/56/95/35/927569535.db2.gz VCFZSCCCUURLAE-CRAIPNDOSA-N 1 1 292.467 3.215 20 30 CGEDMO CC#CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](CCCCC)C(C)C ZINC001483692175 927576955 /nfs/dbraw/zinc/57/69/55/927576955.db2.gz VUOIMCFOYDLXEG-SJORKVTESA-N 1 1 292.467 3.053 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](CCCCC)C(C)C ZINC001483692175 927576959 /nfs/dbraw/zinc/57/69/59/927576959.db2.gz VUOIMCFOYDLXEG-SJORKVTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]1CNC(=O)c1coc2ccccc12 ZINC001483704554 927581189 /nfs/dbraw/zinc/58/11/89/927581189.db2.gz BAWFXGNGTXRFGK-CQSZACIVSA-N 1 1 298.386 3.203 20 30 CGEDMO C=CCCCC(=O)N1CCCC[C@@H]1[C@@H]1CC[N@H+](CCC)C1 ZINC001483801682 927625129 /nfs/dbraw/zinc/62/51/29/927625129.db2.gz KWHCNFZOJFLONH-IAGOWNOFSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)c2ccccc2)C1 ZINC001484026334 927663656 /nfs/dbraw/zinc/66/36/56/927663656.db2.gz DHNCSPUHJCXFRO-MAUKXSAKSA-N 1 1 286.419 3.236 20 30 CGEDMO C#CCCCCCC(=O)N[C@@]1(C)CC[N@H+](CCC(=C)C)C1 ZINC001484054758 927670277 /nfs/dbraw/zinc/67/02/77/927670277.db2.gz SIEYMQYBNYCGSZ-SFHVURJKSA-N 1 1 290.451 3.117 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)C2CCCC2)C1 ZINC001484147983 927680651 /nfs/dbraw/zinc/68/06/51/927680651.db2.gz DSIZCGNQOPFUFE-GOSISDBHSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]2C[N@H+](CC(=C)Cl)C[C@H]21 ZINC001484470723 927709346 /nfs/dbraw/zinc/70/93/46/927709346.db2.gz OYQZZZFZRWDPBG-LSDHHAIUSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]2C[N@@H+](CC(=C)Cl)C[C@H]21 ZINC001484470723 927709358 /nfs/dbraw/zinc/70/93/58/927709358.db2.gz OYQZZZFZRWDPBG-LSDHHAIUSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CC(C)(C)C)CC1 ZINC001484705895 927739093 /nfs/dbraw/zinc/73/90/93/927739093.db2.gz BCVONZYHMKTABC-ZDUSSCGKSA-N 1 1 286.847 3.146 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2C=CCC2)CC1 ZINC001484705881 927739721 /nfs/dbraw/zinc/73/97/21/927739721.db2.gz ATBRDTLARQPNAH-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C2(CCC)CC2)CC1 ZINC001484722070 927745310 /nfs/dbraw/zinc/74/53/10/927745310.db2.gz RBWBQAKACGDDRP-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C)CC(C)(C)C)CC1 ZINC001484722386 927748866 /nfs/dbraw/zinc/74/88/66/927748866.db2.gz VEVRJTHZOOVAJF-CVEARBPZSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)/C=C(\C)CC)C[C@H]1C ZINC001484972145 927776715 /nfs/dbraw/zinc/77/67/15/927776715.db2.gz KOSVCDNVQGGNMA-MEDRYPNSSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@H+](CC(C)C)[C@@H](C)C1 ZINC001484982088 927780101 /nfs/dbraw/zinc/78/01/01/927780101.db2.gz LINODRDYERBEQX-GJZGRUSLSA-N 1 1 280.456 3.214 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC1CCN(C(=O)C2CC(C)C2)CC1 ZINC001485029812 927788357 /nfs/dbraw/zinc/78/83/57/927788357.db2.gz FXXMMARIXYNTKE-UHFFFAOYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@H+](CC)CC1CCN(C(=O)CCC(=C)C)CC1 ZINC001485031231 927789944 /nfs/dbraw/zinc/78/99/44/927789944.db2.gz IKJAOBSGHQQIDB-UHFFFAOYSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)CC1CCCCCC1 ZINC001485068191 927799305 /nfs/dbraw/zinc/79/93/05/927799305.db2.gz AEQAMNPFXHYVIX-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C#CCC[N@H+](C)[C@@H](C)CNC(=O)CCC1CCCCCC1 ZINC001485329523 927847774 /nfs/dbraw/zinc/84/77/74/927847774.db2.gz MZIWSVDHWWVJFP-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)CSC(C)C ZINC001485473598 927877408 /nfs/dbraw/zinc/87/74/08/927877408.db2.gz FZXVQPIDWXMRFP-OAHLLOKOSA-N 1 1 298.496 3.065 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCCC(C)C)C(C)(C)C1 ZINC001485578660 927890592 /nfs/dbraw/zinc/89/05/92/927890592.db2.gz WNDPZLKHVLLGDP-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)/C(C)=C\C)C[C@H]2C1 ZINC001485652593 927896156 /nfs/dbraw/zinc/89/61/56/927896156.db2.gz DTWRVGSSPQSYBM-LHLILGRISA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)[C@@H](C)C(C)(C)C)CC1 ZINC001485759395 927911495 /nfs/dbraw/zinc/91/14/95/927911495.db2.gz SIRTYFBHRCDJAR-CQSZACIVSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C2=CCCC2)[C@@H]1C ZINC001486172444 927992853 /nfs/dbraw/zinc/99/28/53/927992853.db2.gz ZZZNOWYXVKORJK-HOCLYGCPSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CCC[N@@H+](CC3CC3)[C@@H]2C)CCC1 ZINC001486181421 927996577 /nfs/dbraw/zinc/99/65/77/927996577.db2.gz PDFBXRMXWCPOKV-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO CC#CC[N@@H+](C)CCN(C(=O)C(C)=C1CCCC1)C(C)C ZINC001486366547 928007986 /nfs/dbraw/zinc/00/79/86/928007986.db2.gz DMAYTYCGDHIUFR-UHFFFAOYSA-N 1 1 290.451 3.069 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C(=O)/C=C(\C)CC)C(C)C ZINC001486367872 928010432 /nfs/dbraw/zinc/01/04/32/928010432.db2.gz FJKCTQFVGSEQLP-DTQAZKPQSA-N 1 1 280.456 3.478 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)[C@@H](CC)CCCC)CC1 ZINC001486501215 928031580 /nfs/dbraw/zinc/03/15/80/928031580.db2.gz BPLQSPQHYBSLMG-INIZCTEOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CCSCC ZINC001230890442 928076186 /nfs/dbraw/zinc/07/61/86/928076186.db2.gz UERJLZNUZKCLDJ-GJZGRUSLSA-N 1 1 298.496 3.017 20 30 CGEDMO Cc1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@@H](C#N)C1)CC2 ZINC001172829817 928225802 /nfs/dbraw/zinc/22/58/02/928225802.db2.gz DKRGKQOWDWWYGV-YOEHRIQHSA-N 1 1 254.377 3.088 20 30 CGEDMO N#CCC1CCC([N@H+]2CCCN(c3ccccn3)CC2)CC1 ZINC001173330979 928228128 /nfs/dbraw/zinc/22/81/28/928228128.db2.gz IRENBBHRGHDMFA-UHFFFAOYSA-N 1 1 298.434 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)C1CCC1 ZINC001488646050 928287259 /nfs/dbraw/zinc/28/72/59/928287259.db2.gz YGVQLQYBCCLQKW-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(CCCC)CC1 ZINC001488652502 928289834 /nfs/dbraw/zinc/28/98/34/928289834.db2.gz FUYQOYLPWVNGBE-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1CC[N@H+](CCCC)[C@@H]1CC ZINC001489133019 928314010 /nfs/dbraw/zinc/31/40/10/928314010.db2.gz OICFSILDIBOQDP-UXLLHSPISA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@](C)(CC)CCC)C[C@@H]2C1 ZINC001489204744 928319112 /nfs/dbraw/zinc/31/91/12/928319112.db2.gz ANTKQWVMALGBOZ-SOLBZPMBSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](CCC)CC(C)C)[C@H]1C ZINC001489315050 928322773 /nfs/dbraw/zinc/32/27/73/928322773.db2.gz OWTIQVKFVNVLNE-PMPSAXMXSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@](C)(C=C)CC)[C@H]1C ZINC001489288980 928324555 /nfs/dbraw/zinc/32/45/55/928324555.db2.gz PLTWUBNWVZCADB-VYDXJSESSA-N 1 1 278.440 3.134 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)CCCCC)[C@H]1C ZINC001489312548 928328682 /nfs/dbraw/zinc/32/86/82/928328682.db2.gz SBOYPLPDHVFIKG-ZACQAIPSSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[N@@H+](C/C=C\Cl)CC(C)(C)C1 ZINC001489343441 928329449 /nfs/dbraw/zinc/32/94/49/928329449.db2.gz GLFHFXXNXDVPIR-DEBLGDTFSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CC[N@H+](C)CCCNC(=O)[C@@H](C)c1ccc(Cl)cc1 ZINC001490245037 928336885 /nfs/dbraw/zinc/33/68/85/928336885.db2.gz GWKBVVMEGJGZQH-ZDUSSCGKSA-N 1 1 294.826 3.068 20 30 CGEDMO C=CCC[N@@H+](CC)CCCNC(=O)c1ccc(C)cc1F ZINC001490350972 928347271 /nfs/dbraw/zinc/34/72/71/928347271.db2.gz YVLAYMSPRXHZGU-UHFFFAOYSA-N 1 1 292.398 3.152 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)[C@H](C)C(C)(C)C)C1CC1 ZINC001490377037 928350752 /nfs/dbraw/zinc/35/07/52/928350752.db2.gz ICWFLNJKMDVNEC-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H](NC(=O)C23CCC(CC2)C3)C1 ZINC001490440099 928360586 /nfs/dbraw/zinc/36/05/86/928360586.db2.gz KBKHNJPZLBAQKA-PQUAAJSLSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CCCCC)C1 ZINC001490451775 928360954 /nfs/dbraw/zinc/36/09/54/928360954.db2.gz BKDXLOUFLXJQBI-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@H+](C[C@H](C)CC(C)C)C1 ZINC001490563354 928370169 /nfs/dbraw/zinc/37/01/69/928370169.db2.gz KUXLWQSWHLTLSW-CVEARBPZSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](F)CC2CCCCC2)C1 ZINC001490570643 928376498 /nfs/dbraw/zinc/37/64/98/928376498.db2.gz QMIILHQMUINPMF-HZPDHXFCSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)/C=C(/C)CC)C1 ZINC001490761462 928385439 /nfs/dbraw/zinc/38/54/39/928385439.db2.gz XQNDIIYGIDNTPI-WBILKINKSA-N 1 1 292.467 3.479 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H](C[N@H+](C)CC(C)C)C1 ZINC001490758090 928386332 /nfs/dbraw/zinc/38/63/32/928386332.db2.gz DNGKORWKZWUHEV-MRXNPFEDSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H](C[N@H+](C)[C@H](C)CCC=C)C1 ZINC001490754036 928387918 /nfs/dbraw/zinc/38/79/18/928387918.db2.gz UOPLHFXQQVERMX-SJORKVTESA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001492952662 937244842 /nfs/dbraw/zinc/24/48/42/937244842.db2.gz KBVFMSVDBCIOMR-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CC(C)(C)CC(=O)N(C)[C@@H]1CC[N@H+](C[C@@H](C)CC)C1 ZINC001318406939 928435127 /nfs/dbraw/zinc/43/51/27/928435127.db2.gz LHOVMQJNUUKSFT-LSDHHAIUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC1(C(=O)NCCC[N@@H+](C)CC(=C)Cl)CCCC1 ZINC001316870321 928812689 /nfs/dbraw/zinc/81/26/89/928812689.db2.gz KYGKZLCCLAYXSH-UHFFFAOYSA-N 1 1 298.858 3.314 20 30 CGEDMO C=CCC1(C(=O)NCCC[N@H+](C)CC(=C)Cl)CCCC1 ZINC001316870321 928812696 /nfs/dbraw/zinc/81/26/96/928812696.db2.gz KYGKZLCCLAYXSH-UHFFFAOYSA-N 1 1 298.858 3.314 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)/C=C\C(C)(C)C)C1 ZINC001490982932 928821815 /nfs/dbraw/zinc/82/18/15/928821815.db2.gz FMCXUXMHCMJCPQ-JIHRLENESA-N 1 1 290.451 3.088 20 30 CGEDMO CCCCCCC[N@H+]1CCCC[C@H]1CNC(=O)CC ZINC001491190475 928842538 /nfs/dbraw/zinc/84/25/38/928842538.db2.gz BGHYFBZCMXVDRK-HNNXBMFYSA-N 1 1 268.445 3.338 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@]1(C)CC=CCC1 ZINC001491216050 928845042 /nfs/dbraw/zinc/84/50/42/928845042.db2.gz XJTIVXKIYKUMHU-AEFFLSMTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C/C=C(\C)C=C ZINC001491219390 928845487 /nfs/dbraw/zinc/84/54/87/928845487.db2.gz QXAGCFGNKGNXKH-YTBHAWNYSA-N 1 1 290.451 3.446 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CC2CCC2)C1 ZINC001491291442 928853714 /nfs/dbraw/zinc/85/37/14/928853714.db2.gz XVVRHXQCCFMGPZ-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)=C2CCC2)C1 ZINC001491289287 928854156 /nfs/dbraw/zinc/85/41/56/928854156.db2.gz ZOYJBAPNGJONIG-RDJZCZTQSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C1CCC(C(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC001449333619 937379786 /nfs/dbraw/zinc/37/97/86/937379786.db2.gz UISPYQPONAOZIM-UHFFFAOYSA-N 1 1 298.430 3.076 20 30 CGEDMO Cc1[nH+]c2cc(Nc3ncc(C#N)cc3F)ccc2n1C ZINC001458203283 937454607 /nfs/dbraw/zinc/45/46/07/937454607.db2.gz DDDFLVFBLCNXDM-UHFFFAOYSA-N 1 1 281.294 3.031 20 30 CGEDMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2cc(F)ccc2C#N)C1 ZINC001458306143 937458253 /nfs/dbraw/zinc/45/82/53/937458253.db2.gz NYSIXSOTGKVCFK-KRWDZBQOSA-N 1 1 281.334 3.296 20 30 CGEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)CCCC2CCC2)c1 ZINC001459309951 937484682 /nfs/dbraw/zinc/48/46/82/937484682.db2.gz HAENBDQOZVOAIE-UHFFFAOYSA-N 1 1 284.403 3.119 20 30 CGEDMO C=CCOCC[N@H+](CCC)[C@H]1C[C@@H](OCC)C1(C)C ZINC001459533033 937491331 /nfs/dbraw/zinc/49/13/31/937491331.db2.gz MXDYEFOLBKKSOT-LSDHHAIUSA-N 1 1 269.429 3.105 20 30 CGEDMO C[C@H](C#N)C[N@H+](Cc1ccc([Si](C)(C)C)cc1)C1CC1 ZINC001459880495 937504390 /nfs/dbraw/zinc/50/43/90/937504390.db2.gz XLANEFRUSKYIHM-CQSZACIVSA-N 1 1 286.495 3.356 20 30 CGEDMO C[C@H](C#N)C[N@@H+](Cc1ccc([Si](C)(C)C)cc1)C1CC1 ZINC001459880495 937504392 /nfs/dbraw/zinc/50/43/92/937504392.db2.gz XLANEFRUSKYIHM-CQSZACIVSA-N 1 1 286.495 3.356 20 30 CGEDMO CC[C@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)[C@H]1C ZINC001459982860 937509754 /nfs/dbraw/zinc/50/97/54/937509754.db2.gz JFFWBLDMEFAXJJ-GJZGRUSLSA-N 1 1 264.413 3.207 20 30 CGEDMO C=C/C=C/CC[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC001460189056 937519620 /nfs/dbraw/zinc/51/96/20/937519620.db2.gz WXZNJJVMHZUEQK-SNAWJCMRSA-N 1 1 270.376 3.139 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1Cc1cc(F)ccc1F ZINC001460303786 937525854 /nfs/dbraw/zinc/52/58/54/937525854.db2.gz QHEBPSOXJDTJGX-JKSUJKDBSA-N 1 1 295.373 3.299 20 30 CGEDMO CCCCCCCC[N@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC001460614773 937537106 /nfs/dbraw/zinc/53/71/06/937537106.db2.gz XXZYHCOODSRKTH-QZTJIDSGSA-N 1 1 291.435 3.471 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+]2CCCC2(CCC)CCC)C1=O ZINC001460719088 937541946 /nfs/dbraw/zinc/54/19/46/937541946.db2.gz AXVLFRNEWIJNPH-HNNXBMFYSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001460880895 937550579 /nfs/dbraw/zinc/55/05/79/937550579.db2.gz MMISJNKEIUXKGY-MGPQQGTHSA-N 1 1 282.428 3.044 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)C2(CC2)C1 ZINC001140116390 931955614 /nfs/dbraw/zinc/95/56/14/931955614.db2.gz WXMAHEYQRSKMIW-GFCCVEGCSA-N 1 1 265.360 3.414 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1ccc(N2CCOCC2)cc1 ZINC001460897070 937551504 /nfs/dbraw/zinc/55/15/04/937551504.db2.gz AVBSLYWWPUWSPT-UHFFFAOYSA-N 1 1 288.435 3.311 20 30 CGEDMO C=CCCC[N@H+](CC)C[C@@H](O)Cc1ccc(F)cc1 ZINC001460902163 937551700 /nfs/dbraw/zinc/55/17/00/937551700.db2.gz SFPNLJNKMRRPQB-INIZCTEOSA-N 1 1 265.372 3.017 20 30 CGEDMO C=CCCC[N@H+](CC)CC(=O)NCc1ccc(CC)s1 ZINC001460899810 937551835 /nfs/dbraw/zinc/55/18/35/937551835.db2.gz KKPNEZZTOWCROY-UHFFFAOYSA-N 1 1 294.464 3.215 20 30 CGEDMO CCOC1CC[NH+](Cc2cc(C#N)ccc2Cl)CC1 ZINC001140601368 931959384 /nfs/dbraw/zinc/95/93/84/931959384.db2.gz OZZAIHYFFCNJDK-UHFFFAOYSA-N 1 1 278.783 3.213 20 30 CGEDMO N#Cc1cccc(Nc2cc[nH+]cc2C(F)(F)F)c1F ZINC001216412860 932019430 /nfs/dbraw/zinc/01/94/30/932019430.db2.gz WMUCGOMZESLDJW-UHFFFAOYSA-N 1 1 281.212 3.277 20 30 CGEDMO CC(C)[C@@]1(CO)CC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411748556 932028393 /nfs/dbraw/zinc/02/83/93/932028393.db2.gz KLCKJJLOPKAUJM-KRWDZBQOSA-N 1 1 278.440 3.191 20 30 CGEDMO CS[C@@H]1CC[C@H]([N@@H+](C)CCc2ccc(C#N)cc2)C1 ZINC001330547518 932040122 /nfs/dbraw/zinc/04/01/22/932040122.db2.gz PPTIHZAZKWMRHO-JKSUJKDBSA-N 1 1 274.433 3.317 20 30 CGEDMO CC[N@H+]1CC[C@@H](Oc2ccc(C#N)cc2C(F)(F)F)C1 ZINC001227165336 932041648 /nfs/dbraw/zinc/04/16/48/932041648.db2.gz RLHLAEAPZABMIA-LLVKDONJSA-N 1 1 284.281 3.050 20 30 CGEDMO C[N@H+]1CCc2cc(O[C@@H](C#N)c3cccc(F)c3)ccc2C1 ZINC001228943783 932056610 /nfs/dbraw/zinc/05/66/10/932056610.db2.gz JSIWACHLEXXYMC-SFHVURJKSA-N 1 1 296.345 3.457 20 30 CGEDMO C=CCOc1cccc(CNCC[N@H+]2CCC[C@H](C)C2)c1 ZINC001461045151 937561802 /nfs/dbraw/zinc/56/18/02/937561802.db2.gz ORBYWTWYVCBYST-INIZCTEOSA-N 1 1 288.435 3.073 20 30 CGEDMO C=CCOc1cccc(CNCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC001461045151 937561803 /nfs/dbraw/zinc/56/18/03/937561803.db2.gz ORBYWTWYVCBYST-INIZCTEOSA-N 1 1 288.435 3.073 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](Oc2ccc(C3(C#N)CC3)cc2)C1 ZINC001229945226 932506161 /nfs/dbraw/zinc/50/61/61/932506161.db2.gz URHJEJSRFQQSNK-MRXNPFEDSA-N 1 1 270.376 3.103 20 30 CGEDMO N#CCc1ccccc1O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001230271378 932550223 /nfs/dbraw/zinc/55/02/23/932550223.db2.gz ACECZYNUVSUJNS-GOSISDBHSA-N 1 1 292.382 3.406 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)oc1C ZINC001230721646 932614734 /nfs/dbraw/zinc/61/47/34/932614734.db2.gz TXBZREBDQDENAK-OAHLLOKOSA-N 1 1 290.407 3.009 20 30 CGEDMO N#C[C@@H]1CC[C@H]([NH2+]CC(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC001254643174 932725066 /nfs/dbraw/zinc/72/50/66/932725066.db2.gz JOCZJQJESXTFKI-MFKMUULPSA-N 1 1 296.292 3.170 20 30 CGEDMO CC(C)C#CC(=O)NCCC[N@@H+](C)CC1CCCCCC1 ZINC001264983618 932741888 /nfs/dbraw/zinc/74/18/88/932741888.db2.gz IFBZBZBCVUEITF-UHFFFAOYSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C=C)c1ccccc1 ZINC001316608569 932747989 /nfs/dbraw/zinc/74/79/89/932747989.db2.gz HFQQRMDHFARIQQ-QZTJIDSGSA-N 1 1 298.430 3.065 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)CSC(C)C ZINC001317167295 932773591 /nfs/dbraw/zinc/77/35/91/932773591.db2.gz REVOOPQPCUNDBY-OAHLLOKOSA-N 1 1 298.496 3.065 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001492159928 932806305 /nfs/dbraw/zinc/80/63/05/932806305.db2.gz LZAXKDDXKYNPHF-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC(=O)NCC[N@H+](C)Cc1c(C)cc(C)cc1C ZINC001492212179 932810614 /nfs/dbraw/zinc/81/06/14/932810614.db2.gz CHTDZUZXDZBTOK-UHFFFAOYSA-N 1 1 288.435 3.126 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)CC(C)C)C1 ZINC001317202082 932819773 /nfs/dbraw/zinc/81/97/73/932819773.db2.gz DWQSJJGKDUKIDS-HZPDHXFCSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C1CCC(C(=O)N2CC[N@@H+](C3CCCC3)[C@@H](C)C2)CC1 ZINC001303544320 932828912 /nfs/dbraw/zinc/82/89/12/932828912.db2.gz RCSGBQDAFAATLU-HNNXBMFYSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[C@H](C)CCC)[C@H]1CC ZINC001316731529 932837597 /nfs/dbraw/zinc/83/75/97/932837597.db2.gz IGVFFIBOJVYYBV-OWCLPIDISA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C(CC)CC)[C@H]1CC ZINC001316732739 932848872 /nfs/dbraw/zinc/84/88/72/932848872.db2.gz IEHLMOZFJVBUHD-VNQPRFMTSA-N 1 1 280.456 3.214 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001462365803 937635350 /nfs/dbraw/zinc/63/53/50/937635350.db2.gz FYSIURCTYHXART-OAHLLOKOSA-N 1 1 286.375 3.447 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CCCNC(=O)c1coc(C)c1 ZINC001317428504 932869934 /nfs/dbraw/zinc/86/99/34/932869934.db2.gz XXCYDWDGDJPZME-MRXNPFEDSA-N 1 1 290.407 3.139 20 30 CGEDMO CC(C)(C)c1ccc(C#N)c(NCc2c[nH+]c3n2CCC3)n1 ZINC001307210192 932928897 /nfs/dbraw/zinc/92/88/97/932928897.db2.gz CQOFKMWHRBGJKD-UHFFFAOYSA-N 1 1 295.390 3.006 20 30 CGEDMO C#CC[N@H+](CCSc1ccc(F)cc1F)CC1CC1 ZINC001307587476 932973373 /nfs/dbraw/zinc/97/33/73/932973373.db2.gz AGYTUFHLUSVRPD-UHFFFAOYSA-N 1 1 281.371 3.402 20 30 CGEDMO C#CC[N@@H+](Cc1cccc(-c2ccccn2)c1)C1CSC1 ZINC001462519938 937646717 /nfs/dbraw/zinc/64/67/17/937646717.db2.gz PXALXQWSYQJIFW-UHFFFAOYSA-N 1 1 294.423 3.299 20 30 CGEDMO CCCCCCC[N@@H+]([C@H](C)C(=O)OC)C1CCC1 ZINC001307678656 932984605 /nfs/dbraw/zinc/98/46/05/932984605.db2.gz DWIRRJXLHVZRHT-CYBMUJFWSA-N 1 1 255.402 3.373 20 30 CGEDMO C[C@@H](C1CCCCC1)[N@@H+](C)Cc1cc(C#N)ccn1 ZINC001307738634 932994434 /nfs/dbraw/zinc/99/44/34/932994434.db2.gz KYVACMGRCNMJNN-ZDUSSCGKSA-N 1 1 257.381 3.354 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC001307773839 932998661 /nfs/dbraw/zinc/99/86/61/932998661.db2.gz AOMGHIKAGXTJBT-DLBZAZTESA-N 1 1 272.436 3.405 20 30 CGEDMO C=C(CC)C[N@@H+](C)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001307784266 933000984 /nfs/dbraw/zinc/00/09/84/933000984.db2.gz VZGXVFPSBSKJNF-UHFFFAOYSA-N 1 1 282.428 3.332 20 30 CGEDMO CCCCCCC[N@H+]1CCC=C(c2cnn(C)c2)C1 ZINC001307919099 933019993 /nfs/dbraw/zinc/01/99/93/933019993.db2.gz ROPBCEUZUCSENZ-UHFFFAOYSA-N 1 1 261.413 3.480 20 30 CGEDMO C=CC[C@@H](C)[N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C ZINC001307930086 933021479 /nfs/dbraw/zinc/02/14/79/933021479.db2.gz RYNWTAAUICVJSX-GFCCVEGCSA-N 1 1 270.417 3.186 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1C[C@@H](O)c1cccc(C)c1 ZINC001308135353 933055307 /nfs/dbraw/zinc/05/53/07/933055307.db2.gz GZKIWXXGDUULEB-IAGOWNOFSA-N 1 1 259.393 3.459 20 30 CGEDMO C=CCC[C@H]1CCC[N@H+]1C[C@@H]1COc2ccccc2O1 ZINC001308136289 933055632 /nfs/dbraw/zinc/05/56/32/933055632.db2.gz KGIJBHGNVIRDQE-LSDHHAIUSA-N 1 1 273.376 3.257 20 30 CGEDMO C=CCCC[N@H+](CC)CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC001308134905 933055807 /nfs/dbraw/zinc/05/58/07/933055807.db2.gz UKEXYXKBGLESBO-AWEZNQCLSA-N 1 1 292.398 3.291 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1C[C@@H](O)COc1cc(C)ccc1Cl ZINC001308140941 933056971 /nfs/dbraw/zinc/05/69/71/933056971.db2.gz NOHNDQPTHCPZIW-UONOGXRCSA-N 1 1 295.810 3.039 20 30 CGEDMO C#C[C@H]1CCCC[N@@H+]1Cc1cccc(OCCC)c1 ZINC001308143354 933057060 /nfs/dbraw/zinc/05/70/60/933057060.db2.gz UYHKFNLQRMBCRH-INIZCTEOSA-N 1 1 257.377 3.463 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCCC[C@@H]1Cc1ccc(O)cc1 ZINC001308149335 933058044 /nfs/dbraw/zinc/05/80/44/933058044.db2.gz KVUFZUSZRAWXSM-SJLPKXTDSA-N 1 1 289.419 3.116 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@]2(CO)c2ccccc2)s1 ZINC001308163383 933062042 /nfs/dbraw/zinc/06/20/42/933062042.db2.gz KQXYQEKBTZMKDL-KRWDZBQOSA-N 1 1 298.411 3.103 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1cc(OC)ccc1OC(F)F ZINC001308282568 933086988 /nfs/dbraw/zinc/08/69/88/933086988.db2.gz KYQOEFFNGSXPSO-UHFFFAOYSA-N 1 1 277.698 3.139 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2cc(F)ncc2F)cc1Cl ZINC001308716600 933164673 /nfs/dbraw/zinc/16/46/73/933164673.db2.gz YDEOIMDFHHBOBH-UHFFFAOYSA-N 1 1 293.704 3.175 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)Cc1cccc2[nH]c(=O)oc21 ZINC001308754873 933171350 /nfs/dbraw/zinc/17/13/50/933171350.db2.gz NHXUSOWSUINSPT-UHFFFAOYSA-N 1 1 292.338 3.169 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1cccc2[nH]c(=O)oc21 ZINC001308754873 933171352 /nfs/dbraw/zinc/17/13/52/933171352.db2.gz NHXUSOWSUINSPT-UHFFFAOYSA-N 1 1 292.338 3.169 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1 ZINC001317034396 933467495 /nfs/dbraw/zinc/46/74/95/933467495.db2.gz BTPAKVADBDMQTC-SJORKVTESA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1[C@H]2CCC[N@H+](CCC)[C@H]2C1(C)C ZINC001316720136 933478511 /nfs/dbraw/zinc/47/85/11/933478511.db2.gz JMVSDIJVEWGBIF-DJIMGWMZSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC1(CC(=O)N[C@H]2CC[N@H+](CCF)[C@@H]2C)CCCCC1 ZINC001316795741 933483573 /nfs/dbraw/zinc/48/35/73/933483573.db2.gz UJXSGHPCVDQKHF-CABCVRRESA-N 1 1 296.430 3.062 20 30 CGEDMO C=CC1(CC(=O)N[C@H]2CC[N@@H+](CCF)[C@@H]2C)CCCCC1 ZINC001316795741 933483579 /nfs/dbraw/zinc/48/35/79/933483579.db2.gz UJXSGHPCVDQKHF-CABCVRRESA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCNC(=O)[C@@H]1C[C@@]1(C)C(C)C ZINC001316858611 933487609 /nfs/dbraw/zinc/48/76/09/933487609.db2.gz WYAVQTWGNORIOK-RDJZCZTQSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[N@@H+](CC)CCCNC(=O)[C@]1(C)CC=CCC1 ZINC001316892127 933493071 /nfs/dbraw/zinc/49/30/71/933493071.db2.gz YJTAPDVJONSKKO-QGZVFWFLSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)CCC2CCC2)C1 ZINC001316942242 933499271 /nfs/dbraw/zinc/49/92/71/933499271.db2.gz XMMZJDIIJDJHKY-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](CC)CCCC)C1 ZINC001316947966 933499552 /nfs/dbraw/zinc/49/95/52/933499552.db2.gz PQRHUYPYJHGACM-IRXDYDNUSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001316955540 933501808 /nfs/dbraw/zinc/50/18/08/933501808.db2.gz SVXPKIPRVQVJPF-ULQDDVLXSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001316992207 933508795 /nfs/dbraw/zinc/50/87/95/933508795.db2.gz BOYIYZGCAARNOT-HNNXBMFYSA-N 1 1 298.386 3.203 20 30 CGEDMO C=C(CC(C)C)C(=O)NC[C@@H]1CCCC[N@@H+]1CCCC ZINC001464565571 937692493 /nfs/dbraw/zinc/69/24/93/937692493.db2.gz ZSQKOFGTWDHHFE-INIZCTEOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)C[C@H](CC)C(C)C)C1 ZINC001317142976 933539180 /nfs/dbraw/zinc/53/91/80/933539180.db2.gz IKFJOUZGXXCDHX-CVEARBPZSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C/C=C(\C)C=C ZINC001317173906 933548471 /nfs/dbraw/zinc/54/84/71/933548471.db2.gz NVHRSZZMJWGCSM-AAGJOFLKSA-N 1 1 276.424 3.056 20 30 CGEDMO C=CCCCC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CC(=C)C)C1 ZINC001317209235 933553880 /nfs/dbraw/zinc/55/38/80/933553880.db2.gz ODVGEVJDZRNJNK-HOTGVXAUSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)C2CCC2)C1 ZINC001317374712 933578857 /nfs/dbraw/zinc/57/88/57/933578857.db2.gz FIYDXHBHHKRHBJ-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)/C=C(\C)CC)C1 ZINC001317373498 933579729 /nfs/dbraw/zinc/57/97/29/933579729.db2.gz ONGYMYFMARAIEH-TZIYXEQSSA-N 1 1 284.831 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)/C=C(\C)CC)C1 ZINC001317373498 933579734 /nfs/dbraw/zinc/57/97/34/933579734.db2.gz ONGYMYFMARAIEH-TZIYXEQSSA-N 1 1 284.831 3.018 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@H](C)C2CC2)C1 ZINC001317383536 933581575 /nfs/dbraw/zinc/58/15/75/933581575.db2.gz FKVUHXKPQZBHKC-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](CNC(=O)C2(CCC)CCC2)C1 ZINC001317537558 933612635 /nfs/dbraw/zinc/61/26/35/933612635.db2.gz QYBSKCQCOCKGSW-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(Cl)C[N@H+](CCCNC(=O)/C=C(/C)C1CC1)C(C)C ZINC001317682848 933632141 /nfs/dbraw/zinc/63/21/41/933632141.db2.gz OCQJSUNKNCZBDZ-RAXLEYEMSA-N 1 1 298.858 3.312 20 30 CGEDMO C#CC[N@H+](CCCNC(=O)C1CCC(C)(C)CC1)C(C)C ZINC001317711657 933635742 /nfs/dbraw/zinc/63/57/42/933635742.db2.gz RKNWQZNBSKYTKL-UHFFFAOYSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(Cl)C[NH2+][C@H](CNC(=O)/C(C)=C/C)c1ccccc1 ZINC001317715499 933636464 /nfs/dbraw/zinc/63/64/64/933636464.db2.gz OVZSQNYWAFWIJB-HETKQVNLSA-N 1 1 292.810 3.152 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CC23CCC3)C1 ZINC001317766615 933647504 /nfs/dbraw/zinc/64/75/04/933647504.db2.gz GKSDPEWMFRWKSN-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001317786728 933648602 /nfs/dbraw/zinc/64/86/02/933648602.db2.gz BTMJITTWWAQPDE-DLBZAZTESA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C[N@@H+](C)CC1CCN(C(=O)CCC2(C)CC2)CC1 ZINC001317882289 933663605 /nfs/dbraw/zinc/66/36/05/933663605.db2.gz OSAXUPAURYYMRY-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CCC2CCCC2)C1 ZINC001317919107 933665110 /nfs/dbraw/zinc/66/51/10/933665110.db2.gz XTEUZVPCBJYNIQ-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC)CC2CCCC2)C1 ZINC001317985263 933672516 /nfs/dbraw/zinc/67/25/16/933672516.db2.gz SKQIQFDRXKUNDK-IRXDYDNUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccs1 ZINC001318183661 933691537 /nfs/dbraw/zinc/69/15/37/933691537.db2.gz AJWNIEXZMVQQTM-IHRRRGAJSA-N 1 1 290.432 3.002 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)C23CCC(CC2)C3)C1 ZINC001318414619 933721947 /nfs/dbraw/zinc/72/19/47/933721947.db2.gz UHBKKSJGXCATDS-PQUAAJSLSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)c2ccco2)C1 ZINC001318453243 933728847 /nfs/dbraw/zinc/72/88/47/933728847.db2.gz KFVCOLWGKWUSMP-HUUCEWRRSA-N 1 1 290.407 3.171 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)CSC(C)C)C1 ZINC001318458312 933730651 /nfs/dbraw/zinc/73/06/51/933730651.db2.gz KKHZHBKZMPLXHF-OAHLLOKOSA-N 1 1 298.496 3.017 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)/C=C(\C)CC)C1 ZINC001318470549 933731806 /nfs/dbraw/zinc/73/18/06/933731806.db2.gz MSDVUSMXLWATHH-MDJJKAFGSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CC[N@@H+](CC1CCCCC1)CN1C(=O)CC1(C)C ZINC001319080159 933821488 /nfs/dbraw/zinc/82/14/88/933821488.db2.gz ZAZUDQPMCZXUPV-UHFFFAOYSA-N 1 1 264.413 3.023 20 30 CGEDMO FC(F)(F)CO[NH+]=Cc1ccc(N2CCCC2)cc1 ZINC001319278966 933852583 /nfs/dbraw/zinc/85/25/83/933852583.db2.gz VVASNOFZKKSURG-UHFFFAOYSA-N 1 1 272.270 3.200 20 30 CGEDMO CS[C@H]1CC[C@@H]([N@@H+](C)CC#Cc2ccc(F)cc2)C1 ZINC001319462748 933880660 /nfs/dbraw/zinc/88/06/60/933880660.db2.gz LZFJEAKTEFXLQR-CVEARBPZSA-N 1 1 277.408 3.393 20 30 CGEDMO C#CC[N@H+](CC1CC1)Cn1cc(-c2ccc(C)cc2)cn1 ZINC001319675579 933913164 /nfs/dbraw/zinc/91/31/64/933913164.db2.gz KNJYQEHUXXEBEZ-UHFFFAOYSA-N 1 1 279.387 3.161 20 30 CGEDMO C#CC[N@@H+](CC1CC1)Cn1cc(-c2ccc(C)cc2)cn1 ZINC001319675579 933913170 /nfs/dbraw/zinc/91/31/70/933913170.db2.gz KNJYQEHUXXEBEZ-UHFFFAOYSA-N 1 1 279.387 3.161 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)c1ccc(F)s1 ZINC001320090239 933997579 /nfs/dbraw/zinc/99/75/79/933997579.db2.gz KUNADLSHFLAHLM-LBPRGKRZSA-N 1 1 298.427 3.246 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC001320378740 934039197 /nfs/dbraw/zinc/03/91/97/934039197.db2.gz XLSCMFDPUIZLMD-ZACQAIPSSA-N 1 1 257.377 3.067 20 30 CGEDMO C=CCO[C@H]1CC[N@H+]([C@H](CCOC)c2ccccc2)C1 ZINC001320899654 934118539 /nfs/dbraw/zinc/11/85/39/934118539.db2.gz UFHMYXOFKIEGON-DLBZAZTESA-N 1 1 275.392 3.041 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccccc2OC)o1 ZINC001321059502 934145761 /nfs/dbraw/zinc/14/57/61/934145761.db2.gz BHEICEPSQQRVKO-ZDUSSCGKSA-N 1 1 299.374 3.286 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2OC)o1 ZINC001321059502 934145767 /nfs/dbraw/zinc/14/57/67/934145767.db2.gz BHEICEPSQQRVKO-ZDUSSCGKSA-N 1 1 299.374 3.286 20 30 CGEDMO C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001470075156 937747657 /nfs/dbraw/zinc/74/76/57/937747657.db2.gz UVPCLHMFYXWUKL-BRWVUGGUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCCCCCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001470384015 937752042 /nfs/dbraw/zinc/75/20/42/937752042.db2.gz DIINUKCQGVBXBD-HZPDHXFCSA-N 1 1 295.471 3.295 20 30 CGEDMO C=CC[C@H]1CCCC[C@H]1NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC001470388993 937752118 /nfs/dbraw/zinc/75/21/18/937752118.db2.gz QREWCZQLOQOUCW-HRCADAONSA-N 1 1 295.471 3.149 20 30 CGEDMO C=CCCC(=O)N[C@H](C)C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC001322124453 934247866 /nfs/dbraw/zinc/24/78/66/934247866.db2.gz SJGWAKJHQKWEMP-PBHICJAKSA-N 1 1 286.419 3.077 20 30 CGEDMO C=CCC1(C(=O)N[C@@H](C)C[N@H+](C)CC[C@@H](C)F)CCCC1 ZINC001322315475 934277094 /nfs/dbraw/zinc/27/70/94/934277094.db2.gz UNEPLOQMXYSFLW-CABCVRRESA-N 1 1 298.446 3.308 20 30 CGEDMO C=CC[C@H](C)NC(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001471116206 937761328 /nfs/dbraw/zinc/76/13/28/937761328.db2.gz PZKXMNADJBQCGD-HOCLYGCPSA-N 1 1 293.455 3.047 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)CC1CC(C)(C)C1 ZINC001323287833 934380057 /nfs/dbraw/zinc/38/00/57/934380057.db2.gz UVCZPCFRKBYBJK-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC(C)(C)CC ZINC001323684790 934418894 /nfs/dbraw/zinc/41/88/94/934418894.db2.gz QKBVHRSMJRROKS-CVEARBPZSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCO[C@H]1CC[N@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC001323731024 934422751 /nfs/dbraw/zinc/42/27/51/934422751.db2.gz WCVHOEXLVRSVCS-GOEBONIOSA-N 1 1 261.340 3.090 20 30 CGEDMO C=CCCC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCCCC)C2 ZINC001323798772 934427291 /nfs/dbraw/zinc/42/72/91/934427291.db2.gz DCERHALBPLINIM-SFHVURJKSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)CCCC3CC3)C2)C1 ZINC001323860265 934432868 /nfs/dbraw/zinc/43/28/68/934432868.db2.gz PLBIDFVGQDOHDW-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO CCCCCCC[NH+]1CC(N(C)C(=O)[C@@]2(C)C=CCC2)C1 ZINC001323964100 934442867 /nfs/dbraw/zinc/44/28/67/934442867.db2.gz PAJZVTDSMBNXID-SFHVURJKSA-N 1 1 292.467 3.456 20 30 CGEDMO CC[N@@H+](CCOc1ccc(C#N)cc1OC)C(C)(C)C ZINC001324437569 934505020 /nfs/dbraw/zinc/50/50/20/934505020.db2.gz CHVMLBMODDPLPK-UHFFFAOYSA-N 1 1 276.380 3.066 20 30 CGEDMO C=C[C@H](COC)[NH2+]Cc1cc(Cl)sc1Cl ZINC001324659480 934542069 /nfs/dbraw/zinc/54/20/69/934542069.db2.gz CTWWQFPGSRDWMG-MRVPVSSYSA-N 1 1 266.193 3.346 20 30 CGEDMO C#CCOc1ccc(C[N@H+](C)[C@H]2CC[C@H](SC)C2)cc1 ZINC001324752018 934562547 /nfs/dbraw/zinc/56/25/47/934562547.db2.gz NTSNTQSTBHWEPZ-RDJZCZTQSA-N 1 1 289.444 3.415 20 30 CGEDMO CC[C@H](C)[C@@H](C)[N@@H+](C[C@@H](O)c1cccc(C#N)c1)C1CC1 ZINC001473155506 937794874 /nfs/dbraw/zinc/79/48/74/937794874.db2.gz CKYJRBKCWGRTHN-PMUMKWKESA-N 1 1 286.419 3.491 20 30 CGEDMO Cc1cccnc1[C@@H]([NH2+]Cc1cc(C#N)ccn1)C(C)C ZINC001473262738 937799404 /nfs/dbraw/zinc/79/94/04/937799404.db2.gz DLGSYYQEFSDXNX-INIZCTEOSA-N 1 1 280.375 3.144 20 30 CGEDMO C#CCOCC[N@@H+]1CCC[C@@H]1c1cc(C)ccc1C ZINC001473278212 937799901 /nfs/dbraw/zinc/79/99/01/937799901.db2.gz QRLFPWVWJQSDKO-QGZVFWFLSA-N 1 1 257.377 3.090 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](CC)[C@@H]2C)cc1 ZINC001473402384 937805033 /nfs/dbraw/zinc/80/50/33/937805033.db2.gz KDLDLABTQDGGPE-GOEBONIOSA-N 1 1 284.403 3.117 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C)[C@H]2CC)cc1 ZINC001473410886 937806233 /nfs/dbraw/zinc/80/62/33/937806233.db2.gz OTALDLMLJYTGQH-WMLDXEAASA-N 1 1 284.403 3.117 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)C(C)=C2CCC2)C1 ZINC001324935141 934874656 /nfs/dbraw/zinc/87/46/56/934874656.db2.gz BJPYIYFEOMWDIA-GOSISDBHSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CC[C@H]([NH2+][C@H]1CCC[C@H](C(C)C)C1)C(=O)OCC ZINC001324976472 934877634 /nfs/dbraw/zinc/87/76/34/934877634.db2.gz REJXMBJMHCDHQU-KKUMJFAQSA-N 1 1 267.413 3.299 20 30 CGEDMO C#CC[N@H+](Cc1c(C)nc2scc(C3CC3)n12)CC1CC1 ZINC001325015028 934883043 /nfs/dbraw/zinc/88/30/43/934883043.db2.gz ZZLOGVWZGMOCDC-UHFFFAOYSA-N 1 1 299.443 3.427 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cc(C)nc3ccccc23)C1 ZINC001325229281 934896901 /nfs/dbraw/zinc/89/69/01/934896901.db2.gz WYINCDCGZPRLIM-MRXNPFEDSA-N 1 1 282.387 3.320 20 30 CGEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001473517701 937810022 /nfs/dbraw/zinc/81/00/22/937810022.db2.gz UBWXAQAPWLJYGO-QRVBRYPASA-N 1 1 298.430 3.443 20 30 CGEDMO CC#CC[N@@H+]1[C@@H](C)[C@@H](C)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001473595172 937813199 /nfs/dbraw/zinc/81/31/99/937813199.db2.gz RGACILYUAYQHQW-KKUMJFAQSA-N 1 1 294.439 3.023 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]2C[N@H+](CCCC(C)C)C[C@H]21 ZINC001325932112 934940950 /nfs/dbraw/zinc/94/09/50/934940950.db2.gz MUXKKIHDLZUYRG-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO Cc1nc([C@@H](C)[NH2+]Cc2cccc(OCC#N)c2)cs1 ZINC001326010269 934943996 /nfs/dbraw/zinc/94/39/96/934943996.db2.gz LGLRXGISNDFRHC-LLVKDONJSA-N 1 1 287.388 3.205 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@H](C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC001473609266 937813773 /nfs/dbraw/zinc/81/37/73/937813773.db2.gz MOVPMMIMPXHJTC-CABCVRRESA-N 1 1 294.439 3.025 20 30 CGEDMO C=CC[N@H+](CC(=O)N(C)CC1CCCCC1)C(C)(C)C ZINC001473650801 937815768 /nfs/dbraw/zinc/81/57/68/937815768.db2.gz HOUYFJKSDYZEIE-UHFFFAOYSA-N 1 1 280.456 3.312 20 30 CGEDMO Cc1ccccc1OCCC[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC001473705358 937818009 /nfs/dbraw/zinc/81/80/09/937818009.db2.gz AJKDCHCPJNQLNM-HOTGVXAUSA-N 1 1 272.392 3.388 20 30 CGEDMO CN(CCC[N@@H+](C)[C@@H]1CCC[C@@H]1C#N)c1ccccc1 ZINC001473708370 937818078 /nfs/dbraw/zinc/81/80/78/937818078.db2.gz UKYJEJHAVGZCHH-NVXWUHKLSA-N 1 1 271.408 3.137 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC001473719697 937818597 /nfs/dbraw/zinc/81/85/97/937818597.db2.gz MXTLMEYNDCIHDD-CZUORRHYSA-N 1 1 272.392 3.377 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](CC)C(C)C)CC1 ZINC001327162379 935038808 /nfs/dbraw/zinc/03/88/08/935038808.db2.gz IWNFTDBKEFLVMR-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)c1ccccc1F ZINC001327177026 935040455 /nfs/dbraw/zinc/04/04/55/935040455.db2.gz LLPVIUUAQMHRLN-UHFFFAOYSA-N 1 1 292.398 3.186 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)c1sccc1F ZINC001327200000 935043140 /nfs/dbraw/zinc/04/31/40/935043140.db2.gz HDWQPPBJXFFNHV-UHFFFAOYSA-N 1 1 298.427 3.247 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@]2(CC[N@H+](CCC)C2)C1 ZINC001327531742 935068034 /nfs/dbraw/zinc/06/80/34/935068034.db2.gz UDWGQAVICHAAMH-KRWDZBQOSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCC[N@H+]1Cc2ccc(CNC(=O)CCC3CC3)cc2C1 ZINC001327684913 935076462 /nfs/dbraw/zinc/07/64/62/935076462.db2.gz JBNPFDCSPAZZQP-UHFFFAOYSA-N 1 1 298.430 3.385 20 30 CGEDMO C#CCCCC(=O)N[C@H]1CC[N@H+](CCC(C)C)CC1(C)C ZINC001328080563 935115456 /nfs/dbraw/zinc/11/54/56/935115456.db2.gz GTMKKNPSJKVDSZ-INIZCTEOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC001328216269 935124356 /nfs/dbraw/zinc/12/43/56/935124356.db2.gz SKVTWRINRYKWOV-ZDUSSCGKSA-N 1 1 259.340 3.089 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C2(CCCC)CC2)C[C@H]1C ZINC001328282761 935127756 /nfs/dbraw/zinc/12/77/56/935127756.db2.gz ZHXRLSWTXWQIFA-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@H](C)CC(C)(C)C ZINC001328766226 935167396 /nfs/dbraw/zinc/16/73/96/935167396.db2.gz RAPSEQZYYBAMJD-HOTGVXAUSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@H]1C[N@@H+](C)CCC(=C)C ZINC001328764822 935168041 /nfs/dbraw/zinc/16/80/41/935168041.db2.gz DSORICBZYAGMHF-INIZCTEOSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)C[C@H]1CC=CCC1 ZINC001329524898 935224094 /nfs/dbraw/zinc/22/40/94/935224094.db2.gz UGQMLDOZGHQZCJ-CVEARBPZSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)C1(C)CC1 ZINC001329924947 935254562 /nfs/dbraw/zinc/25/45/62/935254562.db2.gz YGUYIERGFPVZII-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCCC)C[C@@H]2C1 ZINC001330465672 935289970 /nfs/dbraw/zinc/28/99/70/935289970.db2.gz FCLSNWPFKUUUTD-YESZJQIVSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)C2CCC2)CC1 ZINC001330990184 935340047 /nfs/dbraw/zinc/34/00/47/935340047.db2.gz JFVRONPSKYAOPJ-CQSZACIVSA-N 1 1 278.440 3.064 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)cc1C#N ZINC001331397182 935377064 /nfs/dbraw/zinc/37/70/64/935377064.db2.gz RRBIALQEBYAVFR-HNNXBMFYSA-N 1 1 276.330 3.488 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](CC(=O)c2c[nH]c3ccc(F)cc32)C1 ZINC001331397244 935377188 /nfs/dbraw/zinc/37/71/88/935377188.db2.gz SBDBNYCMUWGAQK-CYBMUJFWSA-N 1 1 298.361 3.225 20 30 CGEDMO CC(C)[C@@H](C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccccc1 ZINC001332022285 935435402 /nfs/dbraw/zinc/43/54/02/935435402.db2.gz WDBJLCMMLACNTR-ZIFCJYIRSA-N 1 1 299.462 3.344 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)CCCC#CC)[C@H]1C ZINC001332198735 935448411 /nfs/dbraw/zinc/44/84/11/935448411.db2.gz KWRFLJYHVWSBFI-IAGOWNOFSA-N 1 1 290.451 3.115 20 30 CGEDMO C=C/C(C)=C/CC(=O)N[C@@H]1CCC[N@@H+](CCC(=C)C)[C@@H]1C ZINC001332199008 935449028 /nfs/dbraw/zinc/44/90/28/935449028.db2.gz NAWHEOSKYXDRDQ-DKXBRRKKSA-N 1 1 290.451 3.444 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C(=O)C1(F)CCCC1)C(C)C ZINC001332711933 935483979 /nfs/dbraw/zinc/48/39/79/935483979.db2.gz YJKQPZFLCXKPRM-UHFFFAOYSA-N 1 1 298.446 3.404 20 30 CGEDMO COC[C@H]1CCCC[N@@H+](Cc2c(C)cc(C#N)cc2C)C1 ZINC001332883977 935494924 /nfs/dbraw/zinc/49/49/24/935494924.db2.gz GEOXFLYZWCBSHA-INIZCTEOSA-N 1 1 286.419 3.424 20 30 CGEDMO CCC(CC)([NH2+]CCCCC1(C#N)CCC1)C(=O)OC ZINC001332886750 935495224 /nfs/dbraw/zinc/49/52/24/935495224.db2.gz RULSLZRTOVVGBF-UHFFFAOYSA-N 1 1 280.412 3.172 20 30 CGEDMO C=CC[N@H+](CCOC)C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC001332982194 935502023 /nfs/dbraw/zinc/50/20/23/935502023.db2.gz VZYLPQIQPWSCHY-HUUCEWRRSA-N 1 1 281.346 3.170 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](C2CC(OCc3ccccc3)C2)C1 ZINC001333307789 935523930 /nfs/dbraw/zinc/52/39/30/935523930.db2.gz JGKYFZPVRAGFTN-ADKAHSJRSA-N 1 1 287.403 3.011 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)c1nc(-c2cccnc2)no1 ZINC001333437095 935536140 /nfs/dbraw/zinc/53/61/40/935536140.db2.gz FWVGOJAWJDYXST-CYBMUJFWSA-N 1 1 286.379 3.481 20 30 CGEDMO CC(C)c1cc([C@H]2CCCN(C[C@H](C#N)CCC#N)C2)[nH]n1 ZINC001333487484 935540391 /nfs/dbraw/zinc/54/03/91/935540391.db2.gz IANOSOHEIKPEOZ-GJZGRUSLSA-N 1 1 299.422 3.156 20 30 CGEDMO C=CCC1(C(=O)NCCNc2ccc(C)c[nH+]2)CCCC1 ZINC001333559072 935546158 /nfs/dbraw/zinc/54/61/58/935546158.db2.gz PCZDDILHXGJXGM-UHFFFAOYSA-N 1 1 287.407 3.055 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](CN2C[C@H](c3ccccc3)CC2=O)C1 ZINC001333711318 936058572 /nfs/dbraw/zinc/05/85/72/936058572.db2.gz ZFXPGGFLMCVMSG-FUHWJXTLSA-N 1 1 298.430 3.248 20 30 CGEDMO CCN1C[C@@H](C)[N@@H+](CCCCC2(C#N)CCC2)C[C@@H]1C ZINC001333874268 936072344 /nfs/dbraw/zinc/07/23/44/936072344.db2.gz RJMYWUWLIHMIPJ-JKSUJKDBSA-N 1 1 277.456 3.265 20 30 CGEDMO CC[N@@H+]1C[C@@H](C)N(CCCCC2(C#N)CCC2)C[C@@H]1C ZINC001333874268 936072346 /nfs/dbraw/zinc/07/23/46/936072346.db2.gz RJMYWUWLIHMIPJ-JKSUJKDBSA-N 1 1 277.456 3.265 20 30 CGEDMO CC[N@H+]1C[C@@H](C)N(CCCCC2(C#N)CCC2)C[C@@H]1C ZINC001333874268 936072349 /nfs/dbraw/zinc/07/23/49/936072349.db2.gz RJMYWUWLIHMIPJ-JKSUJKDBSA-N 1 1 277.456 3.265 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cccc(OCC(C)C)c2)C1 ZINC001336757510 936214621 /nfs/dbraw/zinc/21/46/21/936214621.db2.gz VFKBVURMVMXRNF-SFHVURJKSA-N 1 1 289.419 3.498 20 30 CGEDMO CS[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC001337042827 936234084 /nfs/dbraw/zinc/23/40/84/936234084.db2.gz SUPKMJDNTKBKTM-QWRGUYRKSA-N 1 1 266.435 3.336 20 30 CGEDMO CCCCCCC[N@H+]1Cc2nc(C3CC3)[nH]c(=O)c2C1 ZINC001473765482 937821426 /nfs/dbraw/zinc/82/14/26/937821426.db2.gz HHPYEEIDBCJXKA-UHFFFAOYSA-N 1 1 275.396 3.346 20 30 CGEDMO C#CCCCCCC[N@H+](C)CCc1ccc2c(c1)OCO2 ZINC001473800970 937822081 /nfs/dbraw/zinc/82/20/81/937822081.db2.gz FGGKRVPJUIPZRR-UHFFFAOYSA-N 1 1 287.403 3.473 20 30 CGEDMO CCCCCCCC[N@H+]1CCC[C@H]1C1OCCO1 ZINC001473843344 937824605 /nfs/dbraw/zinc/82/46/05/937824605.db2.gz BPEZOYPXMGGUDT-AWEZNQCLSA-N 1 1 255.402 3.184 20 30 CGEDMO C#C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC001473868569 937826230 /nfs/dbraw/zinc/82/62/30/937826230.db2.gz SMUADRYKQCTMTQ-MRXNPFEDSA-N 1 1 266.388 3.475 20 30 CGEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@@H](C3CCCC3)C2)CCC1 ZINC001473888886 937827718 /nfs/dbraw/zinc/82/77/18/937827718.db2.gz XTVIHTQIVAINRL-SJORKVTESA-N 1 1 290.451 3.333 20 30 CGEDMO Cn1nccc1C[C@@H]1CCC[N@H+]1CCCCC(C)(C)C#N ZINC001473899579 937828102 /nfs/dbraw/zinc/82/81/02/937828102.db2.gz PQFXUMGCKZHZTN-INIZCTEOSA-N 1 1 288.439 3.147 20 30 CGEDMO CC[C@@](C)(C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1)OC ZINC001474358233 937854096 /nfs/dbraw/zinc/85/40/96/937854096.db2.gz OCMXZXYPIZWAJS-SFHVURJKSA-N 1 1 284.403 3.462 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](C[C@@H]2CCC[C@H](CC)C2)C1 ZINC001474389367 937856519 /nfs/dbraw/zinc/85/65/19/937856519.db2.gz NSZSPLLIGRFCIT-ARFHVFGLSA-N 1 1 251.414 3.480 20 30 CGEDMO CCCCCCC[C@@H](C)CNC(=O)NC[C@H]1CCC[N@H+]1C ZINC001477551202 937896021 /nfs/dbraw/zinc/89/60/21/937896021.db2.gz MANOONZPZWAGLR-HZPDHXFCSA-N 1 1 297.487 3.376 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)NC(C)(C)C[N@H+](C)CCC ZINC001479093389 937916276 /nfs/dbraw/zinc/91/62/76/937916276.db2.gz NCRCRINZTDLHTQ-UHFFFAOYSA-N 1 1 297.487 3.398 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)CC)CC(C)(C)C1 ZINC001479743304 937924665 /nfs/dbraw/zinc/92/46/65/937924665.db2.gz UXJKIAIODGFZHF-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)C=C1CCCCC1 ZINC001479839152 937926803 /nfs/dbraw/zinc/92/68/03/937926803.db2.gz RCIFXUNXBFFFMK-UHFFFAOYSA-N 1 1 278.440 3.281 20 30 CGEDMO C=CC[N@@H+](CC)CCCNC(=O)c1ccc(Cl)c(C)c1 ZINC001479853133 937927160 /nfs/dbraw/zinc/92/71/60/937927160.db2.gz CRFKVWCQDYGHOS-UHFFFAOYSA-N 1 1 294.826 3.276 20 30 CGEDMO C=CC[N@@H+](CC)CCCNC(=O)c1c(C)cc(F)cc1C ZINC001479851489 937927580 /nfs/dbraw/zinc/92/75/80/937927580.db2.gz ZKMJHIABEZHVFD-UHFFFAOYSA-N 1 1 292.398 3.070 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](F)C(C)C)C1 ZINC001479908041 937929243 /nfs/dbraw/zinc/92/92/43/937929243.db2.gz CKGFKEMQUMRHTO-HZPDHXFCSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](NC(=O)CCCC2CCCC2)C1 ZINC001479915405 937929267 /nfs/dbraw/zinc/92/92/67/937929267.db2.gz URWCIFRZMILFPC-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC001479961769 937930439 /nfs/dbraw/zinc/93/04/39/937930439.db2.gz LCRUGTPDPUJXFS-FUHWJXTLSA-N 1 1 298.430 3.221 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)/C(C)=C\C)C1 ZINC001480075466 937931672 /nfs/dbraw/zinc/93/16/72/937931672.db2.gz XZVQJCQGINARNO-PJVYJYFWSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)C2(C)CCCCC2)C1 ZINC001480084509 937932225 /nfs/dbraw/zinc/93/22/25/937932225.db2.gz LWMSESPHWPIWTE-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)CC(C)C ZINC001480102490 937932227 /nfs/dbraw/zinc/93/22/27/937932227.db2.gz HRKRVPZBJARXCJ-YESZJQIVSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001480262043 937934833 /nfs/dbraw/zinc/93/48/33/937934833.db2.gz DURYVQJGODQPEM-MRXNPFEDSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C(=C)C)C1 ZINC001480260568 937935259 /nfs/dbraw/zinc/93/52/59/937935259.db2.gz ZKQYACJQAZKSIN-INIZCTEOSA-N 1 1 292.467 3.383 20 30 CGEDMO CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@H](CC)C(C)C ZINC001480333993 937936858 /nfs/dbraw/zinc/93/68/58/937936858.db2.gz YXXQVRPAAKMREW-IRXDYDNUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](CCCC)C1 ZINC001480382021 937937560 /nfs/dbraw/zinc/93/75/60/937937560.db2.gz HTQNHASZLVKGMQ-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)/C=C(/C)C2CC2)C1 ZINC001480376531 937937622 /nfs/dbraw/zinc/93/76/22/937937622.db2.gz OZTFILCMFVLXJH-HRQLYBHBSA-N 1 1 290.451 3.136 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)CCC)C1 ZINC001480385052 937938227 /nfs/dbraw/zinc/93/82/27/937938227.db2.gz YQURHQZWHZLCEO-CVEARBPZSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)C1CC(C)(C)C1 ZINC001480822734 937944764 /nfs/dbraw/zinc/94/47/64/937944764.db2.gz YWIPYIDSVNRAOP-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1ccoc1C ZINC001493073854 937946836 /nfs/dbraw/zinc/94/68/36/937946836.db2.gz LEFLCGDGEWXVKY-DZGCQCFKSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCCC[N@H+](CCNC(=O)c1ccccc1C)C1CC1 ZINC001493342555 937949653 /nfs/dbraw/zinc/94/96/53/937949653.db2.gz VYQXMTIBFJBIPG-UHFFFAOYSA-N 1 1 286.419 3.155 20 30 CGEDMO C=CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)C ZINC001493922255 937952085 /nfs/dbraw/zinc/95/20/85/937952085.db2.gz VDLBMVVYQOLPEI-IYBDPMFKSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@](C)(C=C)CC)C1 ZINC001494161772 937953591 /nfs/dbraw/zinc/95/35/91/937953591.db2.gz VCIOGEAYOHDBHO-WMZOPIPTSA-N 1 1 292.467 3.335 20 30 CGEDMO C=C/C(C)=C\CC(=O)N[C@H]1CCC[N@H+](CCC(=C)C)C1 ZINC001494323641 937954197 /nfs/dbraw/zinc/95/41/97/937954197.db2.gz SMJSFVUSZIJTHW-YMDFIQGPSA-N 1 1 276.424 3.056 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](NC(=O)CC2(C)CC2)C1 ZINC001494767597 937956255 /nfs/dbraw/zinc/95/62/55/937956255.db2.gz NDGFENDSMAFEGY-OAHLLOKOSA-N 1 1 280.456 3.338 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001494786365 937956367 /nfs/dbraw/zinc/95/63/67/937956367.db2.gz HVKXBDGOKDLCPB-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CCC(=O)N(C)[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001494824990 937956594 /nfs/dbraw/zinc/95/65/94/937956594.db2.gz JNOAYJYGSSAAAB-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001494850935 937956606 /nfs/dbraw/zinc/95/66/06/937956606.db2.gz NMYRORKMHYJZRV-HZPDHXFCSA-N 1 1 292.467 3.005 20 30 CGEDMO C#CCCCC(=O)N(C)[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001494822074 937956678 /nfs/dbraw/zinc/95/66/78/937956678.db2.gz JXWODTVBFVTVRW-MRXNPFEDSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)CC2(C)CCCCC2)C1 ZINC001494837497 937956707 /nfs/dbraw/zinc/95/67/07/937956707.db2.gz WOXDHSQBTXFXDZ-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)CC(C)(C)CC)C1 ZINC001494899574 937957256 /nfs/dbraw/zinc/95/72/56/937957256.db2.gz GORPHJRBFYFCAQ-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC(C)(C)CC(=O)N(CC)[C@H]1CC[N@H+](CCCC)C1 ZINC001494899028 937957258 /nfs/dbraw/zinc/95/72/58/937957258.db2.gz AXNPVUQWWOULEP-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)C(C)(C)C1CC1 ZINC001496766536 937964015 /nfs/dbraw/zinc/96/40/15/937964015.db2.gz FVVNCOCZHBVZLR-AWEZNQCLSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2CN(C(=O)CC(C)(C)C=C)CC[C@H]21 ZINC001496862069 937964468 /nfs/dbraw/zinc/96/44/68/937964468.db2.gz VPMAXOBGDOEROB-JKSUJKDBSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCC(=C)C)C1 ZINC001496856202 937964527 /nfs/dbraw/zinc/96/45/27/937964527.db2.gz BCSBILKWCIOQHI-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001498414563 937969472 /nfs/dbraw/zinc/96/94/72/937969472.db2.gz HSWWQXYTUDWORB-BRWVUGGUSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)c1cccc(C)c1C ZINC001498440618 937969724 /nfs/dbraw/zinc/96/97/24/937969724.db2.gz MVYHYEPNJDTRPC-OAHLLOKOSA-N 1 1 288.435 3.320 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)C(C)(CC)CC ZINC001499123910 937972763 /nfs/dbraw/zinc/97/27/63/937972763.db2.gz FQFWFQUMPHHQPN-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)CCC(=O)N1CCCC[C@@H]1[C@H]1CC[N@H+](CCC)C1 ZINC001499479992 937973487 /nfs/dbraw/zinc/97/34/87/937973487.db2.gz BNAUFSIVUVNPAZ-DLBZAZTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC(C)C ZINC001499497471 937973599 /nfs/dbraw/zinc/97/35/99/937973599.db2.gz SZACXDPPXNQAPT-BBWFWOEESA-N 1 1 292.467 3.453 20 30 CGEDMO C=C/C(C)=C/CC(=O)NC1(C)CC[NH+](CC(=C)Cl)CC1 ZINC001499992441 937975629 /nfs/dbraw/zinc/97/56/29/937975629.db2.gz SCLVZQBBJVJZHE-AWNIVKPZSA-N 1 1 296.842 3.232 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)CC2=CCCCC2)C1 ZINC001500198222 937976310 /nfs/dbraw/zinc/97/63/10/937976310.db2.gz PVSNCCNEAZYDSH-GOSISDBHSA-N 1 1 290.451 3.424 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@](C)(NC(=O)C[C@H](C)CCCCC)C1 ZINC001500264790 937976691 /nfs/dbraw/zinc/97/66/91/937976691.db2.gz MYALAUWALFGQTC-SJLPKXTDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@]1(C)CC[N@H+](CCCC)C1 ZINC001500221696 937976725 /nfs/dbraw/zinc/97/67/25/937976725.db2.gz XMRBLBKZOZHBNM-QGZVFWFLSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC(C)C ZINC001501396540 937979504 /nfs/dbraw/zinc/97/95/04/937979504.db2.gz WLORGMCJZXORKG-IRXDYDNUSA-N 1 1 292.467 3.454 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CCC)C(C)C)CC1 ZINC001502139019 937981214 /nfs/dbraw/zinc/98/12/14/937981214.db2.gz ZOKLAFJLUYIPKY-IRXDYDNUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CCC[N@H+](C[C@H](F)CC)CC1 ZINC001502135015 937981430 /nfs/dbraw/zinc/98/14/30/937981430.db2.gz FPBXCWPXODXNFM-CABCVRRESA-N 1 1 284.419 3.062 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CCC[N@H+](CCF)CC2)CCCC1 ZINC001502150465 937981551 /nfs/dbraw/zinc/98/15/51/937981551.db2.gz XMLRRAZFZOKFKY-HNNXBMFYSA-N 1 1 296.430 3.063 20 30 CGEDMO C#CCC[N@H+](C)CCCN(C)C(=O)C1(CC(C)C)CCC1 ZINC001502353110 937982328 /nfs/dbraw/zinc/98/23/28/937982328.db2.gz AKPPBRMXGROFDA-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO C#CCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H](C)CCC)cc2C1 ZINC001502648688 937982765 /nfs/dbraw/zinc/98/27/65/937982765.db2.gz RHKRCPGJXDZSFS-HNNXBMFYSA-N 1 1 298.430 3.078 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)C(CC)(CC)CC ZINC001506028618 937988512 /nfs/dbraw/zinc/98/85/12/937988512.db2.gz YFNUVPXTOAEOFD-CQSZACIVSA-N 1 1 268.445 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C(C)(CC)CC)C(C)(C)C1 ZINC001502836864 937983674 /nfs/dbraw/zinc/98/36/74/937983674.db2.gz UUKYGOQANITHBT-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)c1oc(C)cc1C ZINC001505426294 937985108 /nfs/dbraw/zinc/98/51/08/937985108.db2.gz PGINVSWWZKOBKX-HNNXBMFYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCC)C2)C1 ZINC001505468655 937985657 /nfs/dbraw/zinc/98/56/57/937985657.db2.gz CMMVNHKTKRQRKU-DLBZAZTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@H](C)[N@@H+](C)CCC(C)(C)C ZINC001505976491 937988420 /nfs/dbraw/zinc/98/84/20/937988420.db2.gz NNRIHFTZKKYFPL-AWEZNQCLSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C)C(C)(C)C ZINC001506563041 937990578 /nfs/dbraw/zinc/99/05/78/937990578.db2.gz WRDCUCOQEHBPFO-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@H](C)CC ZINC001506557483 937990717 /nfs/dbraw/zinc/99/07/17/937990717.db2.gz DPTROMQABJJWRM-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H]2CCCCC[N@H+]2CC2CC2)C1 ZINC001506572131 937990958 /nfs/dbraw/zinc/99/09/58/937990958.db2.gz KEAJGPVQHLAFHS-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[C@H](C)CCC)C(C)(C)C1 ZINC001506733614 937991790 /nfs/dbraw/zinc/99/17/90/937991790.db2.gz ZYNYRXIEWADSOC-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)C2(CC)CCC2)CC1 ZINC001506963737 937993174 /nfs/dbraw/zinc/99/31/74/937993174.db2.gz HRPBFXFCBIJMSU-UHFFFAOYSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC([N@@H+](C)CC2CCC2)CC1 ZINC001506963843 937993261 /nfs/dbraw/zinc/99/32/61/937993261.db2.gz APXBKGRNKXZKGZ-UHFFFAOYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)C[C@@H]1CC[C@@H]2C[C@@H]21)C(C)C ZINC001507812974 937996930 /nfs/dbraw/zinc/99/69/30/937996930.db2.gz JJTUEGQHQWUHOF-IKGGRYGDSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)CC(C)(C)CC)C(C)C ZINC001507802075 937996988 /nfs/dbraw/zinc/99/69/88/937996988.db2.gz NMNMFMXYIMHHCC-UHFFFAOYSA-N 1 1 268.445 3.168 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@@H](C)CCC)CC1 ZINC001508194982 937998576 /nfs/dbraw/zinc/99/85/76/937998576.db2.gz TUNNMEWDUFZHCA-HNNXBMFYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC1=CC[N@@H+](C[C@@H](F)CC)CC1 ZINC001508212917 937998635 /nfs/dbraw/zinc/99/86/35/937998635.db2.gz GHXOEGXHVDCEKA-HNNXBMFYSA-N 1 1 296.430 3.085 20 30 CGEDMO C=C(CC(C)C)C(=O)Nc1nc2c(s1)C[N@H+](CC)CC2 ZINC001527410460 938061416 /nfs/dbraw/zinc/06/14/16/938061416.db2.gz RGWMFDMZGAXZRF-UHFFFAOYSA-N 1 1 293.436 3.062 20 30 CGEDMO C=C(CC(C)C)C(=O)Nc1nc2c(s1)C[N@@H+](CC)CC2 ZINC001527410460 938061417 /nfs/dbraw/zinc/06/14/17/938061417.db2.gz RGWMFDMZGAXZRF-UHFFFAOYSA-N 1 1 293.436 3.062 20 30 CGEDMO C=C[C@H](CC)CC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001542303861 938135588 /nfs/dbraw/zinc/13/55/88/938135588.db2.gz OONVUGHWQPSODI-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C[C@H](C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC001548644016 938151757 /nfs/dbraw/zinc/15/17/57/938151757.db2.gz XIQMREHKMIJTAS-AEFFLSMTSA-N 1 1 298.430 3.089 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)c1ccc(CCC)s1 ZINC001556466952 938204023 /nfs/dbraw/zinc/20/40/23/938204023.db2.gz TVUVBOMQGDTYKJ-UHFFFAOYSA-N 1 1 294.464 3.281 20 30 CGEDMO CCCCCCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001557612522 938211048 /nfs/dbraw/zinc/21/10/48/938211048.db2.gz HIPSJJCVVQSQBL-OAHLLOKOSA-N 1 1 268.445 3.193 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)c1nc2cccc(F)c2s1 ZINC001559223296 938222872 /nfs/dbraw/zinc/22/28/72/938222872.db2.gz FZHQDAXGLMNCCG-UHFFFAOYSA-N 1 1 293.411 3.380 20 30 CGEDMO C=CC[N@@H+](CC1CCCCC1)[C@@H]1CCCN(C(C)C)C1=O ZINC001559538301 938228819 /nfs/dbraw/zinc/22/88/19/938228819.db2.gz UWHVXJPXGRSVKA-QGZVFWFLSA-N 1 1 292.467 3.454 20 30 CGEDMO C#CCCCCCC[N@@H+](Cc1ccccc1)C[C@@H](C)O ZINC001559558065 938229623 /nfs/dbraw/zinc/22/96/23/938229623.db2.gz NUOPVHGZGBLOTA-QGZVFWFLSA-N 1 1 273.420 3.453 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2c(F)ccc(C)c2F)C1 ZINC001559675298 938232477 /nfs/dbraw/zinc/23/24/77/938232477.db2.gz FQSIXIMKQAPSBP-LBPRGKRZSA-N 1 1 267.319 3.050 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2c(F)ccc(C)c2F)C1 ZINC001559675298 938232478 /nfs/dbraw/zinc/23/24/78/938232478.db2.gz FQSIXIMKQAPSBP-LBPRGKRZSA-N 1 1 267.319 3.050 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC001559821132 938236789 /nfs/dbraw/zinc/23/67/89/938236789.db2.gz SWEJFXVWXFODKU-CABCVRRESA-N 1 1 297.320 3.232 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC001559862650 938237498 /nfs/dbraw/zinc/23/74/98/938237498.db2.gz XJLIDXZYILURHB-GOSISDBHSA-N 1 1 298.430 3.424 20 30 CGEDMO CCOC1CC([N@@H+](C)Cc2c(C)cc(C#N)cc2C)C1 ZINC001559876438 938237843 /nfs/dbraw/zinc/23/78/43/938237843.db2.gz WAJLBODQPNYKCE-UHFFFAOYSA-N 1 1 272.392 3.174 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@H]([C@H]2CCCC2(C)C)C1 ZINC001559935687 938239509 /nfs/dbraw/zinc/23/95/09/938239509.db2.gz QTXAJXMYZHMVLB-HRCADAONSA-N 1 1 265.441 3.462 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cnc(N(C)C)c3ccccc23)C1 ZINC001559947556 938239599 /nfs/dbraw/zinc/23/95/99/938239599.db2.gz WKLRPTRSUPEIBK-OAHLLOKOSA-N 1 1 293.414 3.146 20 30 CGEDMO C=CC[C@@H](C(=O)OC)[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC001559977383 938240549 /nfs/dbraw/zinc/24/05/49/938240549.db2.gz SYLRKKOXJIZSDY-GJZGRUSLSA-N 1 1 265.397 3.006 20 30 CGEDMO CC(C)[C@](O)(C[N@H+]1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC001559991375 938241301 /nfs/dbraw/zinc/24/13/01/938241301.db2.gz RNPDXKZRYAQOKW-FUHWJXTLSA-N 1 1 286.419 3.156 20 30 CGEDMO CO[C@H]1CC[C@@H](C)[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001560063802 938242899 /nfs/dbraw/zinc/24/28/99/938242899.db2.gz GVAIFAUOGOJGNJ-CJNGLKHVSA-N 1 1 277.795 3.191 20 30 CGEDMO CO[C@H]1CC[C@H](C)[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001560063892 938242909 /nfs/dbraw/zinc/24/29/09/938242909.db2.gz LJXIAAGKDLTXRZ-BBRMVZONSA-N 1 1 277.795 3.191 20 30 CGEDMO C=CCC1([NH2+]CC(=O)OCC(C)C)CCCCC1 ZINC001560069811 938243082 /nfs/dbraw/zinc/24/30/82/938243082.db2.gz CFDJOQYVXIWHFR-UHFFFAOYSA-N 1 1 253.386 3.054 20 30 CGEDMO C=CCC[C@@H]1CCC[N@H+]1C[C@H]1COC2(CCCCC2)O1 ZINC001560200369 938246901 /nfs/dbraw/zinc/24/69/01/938246901.db2.gz VJQRGGMLMGVPNS-CVEARBPZSA-N 1 1 279.424 3.493 20 30 CGEDMO N#Cc1ccc(F)c(C[NH2+]Cc2cc3cnccc3o2)c1 ZINC001560589842 938263966 /nfs/dbraw/zinc/26/39/66/938263966.db2.gz DWSZUOLNDKWFPK-UHFFFAOYSA-N 1 1 281.290 3.128 20 30 CGEDMO N#CC1(C[NH2+]Cc2cccc(CC3CCC3)c2)CC1 ZINC001560616664 938265886 /nfs/dbraw/zinc/26/58/86/938265886.db2.gz OLYYWGBJNUPLJL-UHFFFAOYSA-N 1 1 254.377 3.423 20 30 CGEDMO C[C@@H]1CC[C@@H](NCC(C)(C)C#N)C[N@@H+]1Cc1ccccc1 ZINC001560741248 938273338 /nfs/dbraw/zinc/27/33/38/938273338.db2.gz QBBZHYAFKYQLNK-NVXWUHKLSA-N 1 1 285.435 3.179 20 30 CGEDMO C[C@@H]1CC[C@@H](NCC(C)(C)C#N)C[N@H+]1Cc1ccccc1 ZINC001560741248 938273339 /nfs/dbraw/zinc/27/33/39/938273339.db2.gz QBBZHYAFKYQLNK-NVXWUHKLSA-N 1 1 285.435 3.179 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)c1cccc(Cl)c1F ZINC001480998020 957699951 /nfs/dbraw/zinc/69/99/51/957699951.db2.gz PKJNTBJBSUAXBP-UHFFFAOYSA-N 1 1 298.789 3.107 20 30 CGEDMO C=C1CC(C)(C(=O)NCC[N@H+](CC)CC(CC)CC)C1 ZINC001480999551 957700523 /nfs/dbraw/zinc/70/05/23/957700523.db2.gz WDYMGFWEPOTCBC-UHFFFAOYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCC(=O)N(C)CC[N@@H+](C)[C@H]1CCc2ccccc21 ZINC001482584903 957731798 /nfs/dbraw/zinc/73/17/98/957731798.db2.gz RTBJDAQVWKIYOD-KRWDZBQOSA-N 1 1 286.419 3.030 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H](C)C[NH2+]C/C(Cl)=C\Cl ZINC001483157199 957739992 /nfs/dbraw/zinc/73/99/92/957739992.db2.gz ZJVDEZHIBUOZNF-VUUNSECVSA-N 1 1 293.238 3.002 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](CCCCCF)[C@H](C)C1 ZINC001570438124 960461826 /nfs/dbraw/zinc/46/18/26/960461826.db2.gz VUDQLMMRSALXJL-HZPDHXFCSA-N 1 1 298.446 3.452 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](CCCC)C(C)C)C1 ZINC001567928135 960602631 /nfs/dbraw/zinc/60/26/31/960602631.db2.gz CBRDFHVEVSRFIE-IAGOWNOFSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)CC[NH+]1CCN(C(=O)c2sccc2Cl)CC1 ZINC001565502844 960788003 /nfs/dbraw/zinc/78/80/03/960788003.db2.gz OEKMJDWBPKWTRX-UHFFFAOYSA-N 1 1 298.839 3.126 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(CCCC)CC1 ZINC001565826162 960834266 /nfs/dbraw/zinc/83/42/66/960834266.db2.gz GTIZHINPYXAAAE-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO CC#CCCCC(=O)N[C@H]1CC[N@H+](C[C@H](C)CC)[C@@H]1CC ZINC001566019405 960869595 /nfs/dbraw/zinc/86/95/95/960869595.db2.gz OHLZGKYKRKJNQX-IXDOHACOSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)CC1(C)CCCC1)C1CC1 ZINC001566586387 960966484 /nfs/dbraw/zinc/96/64/84/960966484.db2.gz MHDAPURJYPWCDJ-UHFFFAOYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H](F)CC2CCCCC2)C1 ZINC001566678795 960982842 /nfs/dbraw/zinc/98/28/42/960982842.db2.gz FVIPJUHTFMSPQG-CVEARBPZSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)/C=C(/C)CC)C1 ZINC001566740122 960992129 /nfs/dbraw/zinc/99/21/29/960992129.db2.gz QMBSKHWTDDFYMG-DDITZMBXSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)CC(C)(C)CC)C1 ZINC001566740107 960998518 /nfs/dbraw/zinc/99/85/18/960998518.db2.gz QEBAEQPVMSPQSG-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H](C[N@H+](C)CC/C=C/CC)C1 ZINC001566734779 960999362 /nfs/dbraw/zinc/99/93/62/960999362.db2.gz AEZVZGSYPAEYDZ-JKNJVXJCSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(CCC)CCC ZINC001566754626 961003648 /nfs/dbraw/zinc/00/36/48/961003648.db2.gz LTULLYOMRAWUBD-CALCHBBNSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001566742891 961004058 /nfs/dbraw/zinc/00/40/58/961004058.db2.gz FQLCNXGYHCSSQX-GVDBMIGSSA-N 1 1 292.467 3.169 20 30 CGEDMO C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(CC)CC)C1 ZINC001566746931 961005121 /nfs/dbraw/zinc/00/51/21/961005121.db2.gz TUGAFNFFGXDUCH-MRXNPFEDSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C1CC2(CC2)C1 ZINC001566925629 961066033 /nfs/dbraw/zinc/06/60/33/961066033.db2.gz LZJYHLHOERTQAD-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@H](C)CC ZINC001566920769 961066739 /nfs/dbraw/zinc/06/67/39/961066739.db2.gz ZPBHPJCJVLKRAA-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C(C)C)C1 ZINC001566959267 961078998 /nfs/dbraw/zinc/07/89/98/961078998.db2.gz AGLVHZAYSBUBQR-RDJZCZTQSA-N 1 1 292.467 3.380 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)/C(C)=C/CC)C1 ZINC001566957230 961079136 /nfs/dbraw/zinc/07/91/36/961079136.db2.gz DNYMAYWALSTGAG-HVJILKDESA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(C)s1 ZINC001567269141 961161298 /nfs/dbraw/zinc/16/12/98/961161298.db2.gz KOAWDUJHYUZHMK-GFCCVEGCSA-N 1 1 280.437 3.073 20 30 CGEDMO C=CCCC(=O)NCC[N@@H+](CC)Cc1ccccc1Cl ZINC001567327190 961272953 /nfs/dbraw/zinc/27/29/53/961272953.db2.gz IYSIVOAQRUNGAN-UHFFFAOYSA-N 1 1 294.826 3.244 20 30 CGEDMO C=CCCC(=O)NCC[N@H+](CC)Cc1ccccc1Cl ZINC001567327190 961272973 /nfs/dbraw/zinc/27/29/73/961272973.db2.gz IYSIVOAQRUNGAN-UHFFFAOYSA-N 1 1 294.826 3.244 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)c1cccc(C)c1 ZINC001567325269 961281173 /nfs/dbraw/zinc/28/11/73/961281173.db2.gz UKGPUBLYKGHTFU-INIZCTEOSA-N 1 1 288.435 3.401 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)[C@H](C)c1ccccc1 ZINC001567350645 961294285 /nfs/dbraw/zinc/29/42/85/961294285.db2.gz SDDVUJFHZBYSMH-MRXNPFEDSA-N 1 1 288.435 3.194 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)C1(C)C(C)(C)C1(C)C ZINC001567387204 961309203 /nfs/dbraw/zinc/30/92/03/961309203.db2.gz VRANPINWJMYUFX-CQSZACIVSA-N 1 1 292.467 3.215 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](CNC(=O)C#CC(C)C)C1 ZINC001567400256 961327000 /nfs/dbraw/zinc/32/70/00/961327000.db2.gz ITTFLQAQQUOCTG-QGZVFWFLSA-N 1 1 292.467 3.054 20 30 CGEDMO C=C(C)C[N@@H+](CCNC(=O)[C@H]1CCCC2(CC2)C1)C1CC1 ZINC001567442918 961336324 /nfs/dbraw/zinc/33/63/24/961336324.db2.gz OMERUQRCABVWPN-HNNXBMFYSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+](CCC)CCNC(=O)[C@H]1CCCC1(C)C ZINC001567429622 961340597 /nfs/dbraw/zinc/34/05/97/961340597.db2.gz WLBSZASWVZGDAE-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC1(CC(=O)NCC[N@@H+](CCF)C2CC2)CCCCC1 ZINC001567451522 961347626 /nfs/dbraw/zinc/34/76/26/961347626.db2.gz UPRZDABPQIBMMS-UHFFFAOYSA-N 1 1 296.430 3.063 20 30 CGEDMO C=CC1(CC(=O)NCC[N@H+](CCF)C2CC2)CCCCC1 ZINC001567451522 961347648 /nfs/dbraw/zinc/34/76/48/961347648.db2.gz UPRZDABPQIBMMS-UHFFFAOYSA-N 1 1 296.430 3.063 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)C[C@H](C)CC(C)C)C1 ZINC001567713262 961405091 /nfs/dbraw/zinc/40/50/91/961405091.db2.gz ZUCQFNFDHBHUJR-IAGOWNOFSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)C[C@@H](C)CC)C1 ZINC001567698071 961408671 /nfs/dbraw/zinc/40/86/71/961408671.db2.gz KLFVHGBNVVXLBL-JSGCOSHPSA-N 1 1 286.847 3.003 20 30 CGEDMO C=CCCC(=O)N1CC[C@@H](C[N@@H+](C)CCC(C)(C)C)C1 ZINC001567722792 961409901 /nfs/dbraw/zinc/40/99/01/961409901.db2.gz AHWGVJJYQKMOMJ-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCN(C(=O)c2coc3ccccc32)C1 ZINC001567745490 961417623 /nfs/dbraw/zinc/41/76/23/961417623.db2.gz QTXFTDVQTOKJIT-CQSZACIVSA-N 1 1 298.386 3.013 20 30 CGEDMO C=CC[N@H+](C)CC1CCN(C(=O)C[C@H]2CC=CCC2)CC1 ZINC001567749858 961427139 /nfs/dbraw/zinc/42/71/39/961427139.db2.gz SBLGDVHBOJTYBO-INIZCTEOSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@H+](C)CC1CCN(C(=O)C[C@@H](C)C2CC2)CC1 ZINC001567752680 961428148 /nfs/dbraw/zinc/42/81/48/961428148.db2.gz HONJCNPYAZMYKL-OAHLLOKOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C=C)C1 ZINC001567876800 961449744 /nfs/dbraw/zinc/44/97/44/961449744.db2.gz MZOKTMPKRDHABS-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](N(C)C(=O)CCC)C1 ZINC001567902670 961452494 /nfs/dbraw/zinc/45/24/94/961452494.db2.gz MDTZTIFQNSPMFI-OAHLLOKOSA-N 1 1 268.445 3.290 20 30 CGEDMO C=C(C)CCC(=O)N(CC)[C@H]1CC[N@@H+](CC[C@H](C)F)C1 ZINC001567938977 961465414 /nfs/dbraw/zinc/46/54/14/961465414.db2.gz MMUVJOWCIXDLQG-GJZGRUSLSA-N 1 1 284.419 3.014 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H](C)C[NH2+]C/C(Cl)=C\Cl ZINC001569073557 961678596 /nfs/dbraw/zinc/67/85/96/961678596.db2.gz ZJVDEZHIBUOZNF-OTXQMUPVSA-N 1 1 293.238 3.002 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)c1csc(C)c1C ZINC001569119330 961696316 /nfs/dbraw/zinc/69/63/16/961696316.db2.gz OTFDHCAHSZBLFG-GFCCVEGCSA-N 1 1 294.464 3.381 20 30 CGEDMO C=C1CCC(C(=O)N[C@H](C)C[N@@H+](C)CC2CCCC2)CC1 ZINC001569135809 961697410 /nfs/dbraw/zinc/69/74/10/961697410.db2.gz FNTMFZNAAPRACD-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(C2=CCCC2)cc1 ZINC001569154537 961706478 /nfs/dbraw/zinc/70/64/78/961706478.db2.gz CBZFJRYSGXIWEK-OAHLLOKOSA-N 1 1 298.430 3.490 20 30 CGEDMO C=CC1(CC(=O)NC[C@H]2CC[N@@H+]2CCCF)CCCCC1 ZINC001569375850 961748525 /nfs/dbraw/zinc/74/85/25/961748525.db2.gz CVFMJJJXHMELML-OAHLLOKOSA-N 1 1 296.430 3.063 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)CCC ZINC001569443922 961767463 /nfs/dbraw/zinc/76/74/63/961767463.db2.gz GCHMPUVMBZEMHM-BBWFWOEESA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CCCC ZINC001569444804 961770782 /nfs/dbraw/zinc/77/07/82/961770782.db2.gz LWKSDTQAJOKUIM-OAGGEKHMSA-N 1 1 278.440 3.064 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)C[C@H](C)CCC)C1 ZINC001569711364 961826311 /nfs/dbraw/zinc/82/63/11/961826311.db2.gz BETCKDGFZPWBIP-SJLPKXTDSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)C[C@@H](C=C)CC)C1 ZINC001569719871 961839049 /nfs/dbraw/zinc/83/90/49/961839049.db2.gz OZWNDJDDPOHSGN-FUHWJXTLSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1(C)CCCC1)C2 ZINC001569859109 961854506 /nfs/dbraw/zinc/85/45/06/961854506.db2.gz MQFRSUQNWRNTHF-MUJYYYPQSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)CCC ZINC001569913587 961869948 /nfs/dbraw/zinc/86/99/48/961869948.db2.gz TXCDJGPANHQCKE-GJZGRUSLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001570193407 961928693 /nfs/dbraw/zinc/92/86/93/961928693.db2.gz GAEUUIWUCUVCAQ-MWDXBVQZSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@H](C)c1ccc(C)o1 ZINC001570212219 961933534 /nfs/dbraw/zinc/93/35/34/961933534.db2.gz YKVPJSOISGVYMO-OAHLLOKOSA-N 1 1 292.423 3.048 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCC(=C)C)C2 ZINC001570273768 961945899 /nfs/dbraw/zinc/94/58/99/961945899.db2.gz VLTATFHJDMEEEQ-SFHVURJKSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)CC)C(C)(C)C1 ZINC001570391027 961957403 /nfs/dbraw/zinc/95/74/03/961957403.db2.gz CLCAEMGQSZRPMK-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)CCCCCC)C(C)(C)C1 ZINC001570399680 961960354 /nfs/dbraw/zinc/96/03/54/961960354.db2.gz HZMFLIKXMGDEEU-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC1CCN(C(=O)C2(CC)CC2)CC1 ZINC001570502731 961980509 /nfs/dbraw/zinc/98/05/09/961980509.db2.gz LVFSKRVAJFESSA-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](C)C1CCCC1 ZINC001570544063 961991043 /nfs/dbraw/zinc/99/10/43/961991043.db2.gz QKRUSHHPHIUJCL-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(C)=O)C2)C1 ZINC001570548724 961998323 /nfs/dbraw/zinc/99/83/23/961998323.db2.gz QBOPOENCVXFKPL-MSOLQXFVSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)c1cc2ccccc2o1 ZINC001570545828 962000147 /nfs/dbraw/zinc/00/01/47/962000147.db2.gz YKFMGTXLDIBRGK-OAHLLOKOSA-N 1 1 298.386 3.155 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H](C)[N@H+](C)C[C@@H](C)CC ZINC001570714475 962052235 /nfs/dbraw/zinc/05/22/35/962052235.db2.gz PRZOEIKZUWSYHK-UONOGXRCSA-N 1 1 268.445 3.071 20 30 CGEDMO C#CCCCC(=O)NC[C@H](C)[N@@H+](C)CCCC(C)(C)C ZINC001570709046 962063852 /nfs/dbraw/zinc/06/38/52/962063852.db2.gz MYPDBDXYONCZSF-HNNXBMFYSA-N 1 1 280.456 3.053 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H](C)[N@H+](C)CCCC)CCCC1 ZINC001570755437 962072024 /nfs/dbraw/zinc/07/20/24/962072024.db2.gz PWYCZDBNBAVPIK-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001570753485 962074782 /nfs/dbraw/zinc/07/47/82/962074782.db2.gz KQFOYZGZBBVRQI-NNGSBXSVSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCCC(=O)NC[C@H]1CCCCC[N@H+]1CC(=C)Cl ZINC001570825486 962092253 /nfs/dbraw/zinc/09/22/53/962092253.db2.gz TVQLIWUCYBQKRP-OAHLLOKOSA-N 1 1 298.858 3.456 20 30 CGEDMO C=CCCCC(=O)NC[C@H]1CCCCC[N@@H+]1CC(=C)Cl ZINC001570825486 962092276 /nfs/dbraw/zinc/09/22/76/962092276.db2.gz TVQLIWUCYBQKRP-OAHLLOKOSA-N 1 1 298.858 3.456 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)C[C@@H](C)CC(C)C)C(C)(C)C1 ZINC001570907463 962104767 /nfs/dbraw/zinc/10/47/67/962104767.db2.gz HDWCLGVBTHSZHV-HOTGVXAUSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)CC)C(C)(C)C1 ZINC001570901439 962105185 /nfs/dbraw/zinc/10/51/85/962105185.db2.gz CPAPURQWCNLNBM-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)CC(CC)CC)C(C)(C)C1 ZINC001570908360 962106804 /nfs/dbraw/zinc/10/68/04/962106804.db2.gz ZOXGKYOOAJGVTK-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)CC(C)(C)C)C(C)(C)C1 ZINC001570889003 962110303 /nfs/dbraw/zinc/11/03/03/962110303.db2.gz OUZURJTXOMGSNB-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](CC=C(C)C)CC1(C)C ZINC001570897491 962110592 /nfs/dbraw/zinc/11/05/92/962110592.db2.gz SERHSRZXCUKIAG-OAHLLOKOSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)CCC(=O)N[C@@]12CCC[C@@H]1[N@@H+](CCC1CC1)CC2 ZINC001571500491 962172101 /nfs/dbraw/zinc/17/21/01/962172101.db2.gz DZDNUSBHWLSXCJ-FUHWJXTLSA-N 1 1 290.451 3.256 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C(=O)[C@@H]1CC12CCC2)C(C)C ZINC001571615217 962185940 /nfs/dbraw/zinc/18/59/40/962185940.db2.gz JXMITIXPKSZRRY-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO CC[C@H]1CC[C@H](C)[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000124619773 187145707 /nfs/dbraw/zinc/14/57/07/187145707.db2.gz KOITWAPUSLNDIU-ZFWWWQNUSA-N 1 1 285.391 3.150 20 30 CGEDMO C[N@@H+]1CC[C@@]2(CCN(Cc3ccc(C(C)(C)C#N)cc3)C2)C1 ZINC000590021368 346822634 /nfs/dbraw/zinc/82/26/34/346822634.db2.gz LIARCAXWLDRTPR-LJQANCHMSA-N 1 1 297.446 3.015 20 30 CGEDMO C[N@H+]1CC[C@@]2(CCN(Cc3ccc(C(C)(C)C#N)cc3)C2)C1 ZINC000590021368 346822637 /nfs/dbraw/zinc/82/26/37/346822637.db2.gz LIARCAXWLDRTPR-LJQANCHMSA-N 1 1 297.446 3.015 20 30 CGEDMO CN1CC[C@@]2(CC[N@H+](Cc3ccc(C(C)(C)C#N)cc3)C2)C1 ZINC000590021368 346822639 /nfs/dbraw/zinc/82/26/39/346822639.db2.gz LIARCAXWLDRTPR-LJQANCHMSA-N 1 1 297.446 3.015 20 30 CGEDMO CN1CC[C@@]2(CC[N@@H+](Cc3ccc(C(C)(C)C#N)cc3)C2)C1 ZINC000590021368 346822642 /nfs/dbraw/zinc/82/26/42/346822642.db2.gz LIARCAXWLDRTPR-LJQANCHMSA-N 1 1 297.446 3.015 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC000590203752 346836648 /nfs/dbraw/zinc/83/66/48/346836648.db2.gz WURFKXJAFCXRFN-GOSISDBHSA-N 1 1 286.419 3.097 20 30 CGEDMO N#Cc1ccccc1OCC[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000125436186 187184645 /nfs/dbraw/zinc/18/46/45/187184645.db2.gz QEZKUCAIOGHYFU-QGZVFWFLSA-N 1 1 293.370 3.169 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000096955744 185140773 /nfs/dbraw/zinc/14/07/73/185140773.db2.gz ALKNGRWBDYWPTQ-LBPRGKRZSA-N 1 1 276.771 3.013 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000096955744 185140774 /nfs/dbraw/zinc/14/07/74/185140774.db2.gz ALKNGRWBDYWPTQ-LBPRGKRZSA-N 1 1 276.771 3.013 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)cc1 ZINC000652062468 398322014 /nfs/dbraw/zinc/32/20/14/398322014.db2.gz KUCJCLAQTTUTSU-HNNXBMFYSA-N 1 1 279.330 3.483 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@@H](CCCO)C2)cc1 ZINC000590765939 346873111 /nfs/dbraw/zinc/87/31/11/346873111.db2.gz SHQQADUFADIRHQ-OAHLLOKOSA-N 1 1 286.419 3.082 20 30 CGEDMO CC[C@@H](C[N@@H+](Cc1ccc(C#N)cc1)C(C)C)OC ZINC000412980625 529472936 /nfs/dbraw/zinc/47/29/36/529472936.db2.gz YDTUQBYOTSINGV-INIZCTEOSA-N 1 1 260.381 3.194 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000591013290 346894609 /nfs/dbraw/zinc/89/46/09/346894609.db2.gz WOCJZDNIGNEHKL-GDBMZVCRSA-N 1 1 258.365 3.142 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000591045375 346897331 /nfs/dbraw/zinc/89/73/31/346897331.db2.gz VCZYSTPGJFIBCS-RBUKOAKNSA-N 1 1 292.382 3.175 20 30 CGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000591062257 346898118 /nfs/dbraw/zinc/89/81/18/346898118.db2.gz ZRXWONHXSRGBDD-XJKSGUPXSA-N 1 1 297.402 3.007 20 30 CGEDMO CC[C@@H](CO)[N@@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000411772732 529504469 /nfs/dbraw/zinc/50/44/69/529504469.db2.gz KEPHRFKTEIMQIH-SFHVURJKSA-N 1 1 294.398 3.428 20 30 CGEDMO CCc1ccccc1[C@@H]([NH3+])CN[C@H](C)c1ccc(C#N)cc1 ZINC000423507790 529611488 /nfs/dbraw/zinc/61/14/88/529611488.db2.gz QLKFCCYRMAWRQK-KUHUBIRLSA-N 1 1 293.414 3.471 20 30 CGEDMO CCc1ccccc1[C@H]([NH3+])CN[C@@H](C)c1cccc(C#N)c1 ZINC000423504697 529617273 /nfs/dbraw/zinc/61/72/73/529617273.db2.gz NSVRLRJMMMMAII-IFXJQAMLSA-N 1 1 293.414 3.471 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H](C[NH3+])C1CCCC1 ZINC000591582518 346930275 /nfs/dbraw/zinc/93/02/75/346930275.db2.gz YMBPCRCTDTZLPI-ROUUACIJSA-N 1 1 283.419 3.043 20 30 CGEDMO COc1ccc([C@H]([NH2+]Cc2ccncc2C#N)C(C)C)cc1 ZINC000592095402 346962364 /nfs/dbraw/zinc/96/23/64/346962364.db2.gz VQLUHPOXHQYKQW-GOSISDBHSA-N 1 1 295.386 3.449 20 30 CGEDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccncc1C#N ZINC000592072050 346960400 /nfs/dbraw/zinc/96/04/00/346960400.db2.gz GXWJIWPNRKBWIT-SFHVURJKSA-N 1 1 279.387 3.406 20 30 CGEDMO C[C@]1(Cc2ccccc2F)CCC[N@H+]1CCOCCC#N ZINC000592143822 346966888 /nfs/dbraw/zinc/96/68/88/346966888.db2.gz QNLDPKIKBKHYHE-QGZVFWFLSA-N 1 1 290.382 3.153 20 30 CGEDMO COc1ccccc1C1([NH2+]Cc2cccc(C#N)c2F)CC1 ZINC000592143091 346967158 /nfs/dbraw/zinc/96/71/58/346967158.db2.gz NELKMSZPRPEYOL-UHFFFAOYSA-N 1 1 296.345 3.485 20 30 CGEDMO CC(C)O[C@@H]1CC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000592134066 346965738 /nfs/dbraw/zinc/96/57/38/346965738.db2.gz IUPMOEFYBKHRFI-CZUORRHYSA-N 1 1 258.365 3.119 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000592140124 346965851 /nfs/dbraw/zinc/96/58/51/346965851.db2.gz CPFGYOFCJOTPFR-SFHVURJKSA-N 1 1 277.371 3.251 20 30 CGEDMO C[C@H]1C[N@H+](Cc2ccccc2C#N)CC2(CCCC2)O1 ZINC000592186770 346969951 /nfs/dbraw/zinc/96/99/51/346969951.db2.gz FUYHMORNRSQFND-AWEZNQCLSA-N 1 1 270.376 3.092 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2C#N)CC2(CCCC2)O1 ZINC000592186770 346969953 /nfs/dbraw/zinc/96/99/53/346969953.db2.gz FUYHMORNRSQFND-AWEZNQCLSA-N 1 1 270.376 3.092 20 30 CGEDMO C[N@@H+](CCCC#N)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000347466937 529878889 /nfs/dbraw/zinc/87/88/89/529878889.db2.gz DTKXIYRCKNBCDC-HOTGVXAUSA-N 1 1 272.392 3.468 20 30 CGEDMO COCCc1cc[nH+]c(NCc2ccc(C#N)c(C)c2)c1 ZINC000351565603 219127708 /nfs/dbraw/zinc/12/77/08/219127708.db2.gz BUVGPBOUOBYHEA-UHFFFAOYSA-N 1 1 281.359 3.063 20 30 CGEDMO CC[N@H+](Cc1ccc(Cl)cc1C#N)[C@@H]1CCCOC1 ZINC000593068621 347035051 /nfs/dbraw/zinc/03/50/51/347035051.db2.gz DXHHIOPWFGSMPH-OAHLLOKOSA-N 1 1 278.783 3.213 20 30 CGEDMO CC[N@@H+](Cc1ccc(Cl)cc1C#N)[C@@H]1CCCOC1 ZINC000593068621 347035053 /nfs/dbraw/zinc/03/50/53/347035053.db2.gz DXHHIOPWFGSMPH-OAHLLOKOSA-N 1 1 278.783 3.213 20 30 CGEDMO N#Cc1c(F)cccc1C[NH+]1CCC2(CC2(F)F)CC1 ZINC000593073657 347035928 /nfs/dbraw/zinc/03/59/28/347035928.db2.gz VUUCTNSNBQRDIC-UHFFFAOYSA-N 1 1 280.293 3.319 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593117979 347042048 /nfs/dbraw/zinc/04/20/48/347042048.db2.gz UOZFKOLUCDEXNS-BXUZGUMPSA-N 1 1 262.303 3.350 20 30 CGEDMO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)CCCC(C)(C)C#N ZINC000593124070 347043100 /nfs/dbraw/zinc/04/31/00/347043100.db2.gz RJNVBNDPZXEIRG-ZDUSSCGKSA-N 1 1 282.428 3.368 20 30 CGEDMO C[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C#N)C2)CCc2ccccc21 ZINC000593090285 347038370 /nfs/dbraw/zinc/03/83/70/347038370.db2.gz HRXOMBKVUHZWJV-IIAWOOMASA-N 1 1 254.377 3.340 20 30 CGEDMO CC[C@H]1CCCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000032799637 344934164 /nfs/dbraw/zinc/93/41/64/344934164.db2.gz FILSYDQTZRQEIP-ZDUSSCGKSA-N 1 1 291.420 3.213 20 30 CGEDMO Cc1nccn1CCC[N@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000127322535 187296425 /nfs/dbraw/zinc/29/64/25/187296425.db2.gz SWACSYSWEGIMLN-CQSZACIVSA-N 1 1 282.391 3.146 20 30 CGEDMO C[C@H]([N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1)C(C)(C)C ZINC000042763920 344987258 /nfs/dbraw/zinc/98/72/58/344987258.db2.gz OYGRVQAMZGIYNL-ZDUSSCGKSA-N 1 1 287.407 3.253 20 30 CGEDMO CCC1(CC)C[N@H+]([C@@H]2CC[C@@H](C#N)C2)CCS1 ZINC000336337349 282377808 /nfs/dbraw/zinc/37/78/08/282377808.db2.gz UIWWDLWIMQPMSG-CHWSQXEVSA-N 1 1 252.427 3.286 20 30 CGEDMO C[N@@H+](CCCOc1ccccc1)Cc1ccc(C#N)cc1 ZINC000046527556 345040622 /nfs/dbraw/zinc/04/06/22/345040622.db2.gz LVLMCPFOJWCJFA-UHFFFAOYSA-N 1 1 280.371 3.459 20 30 CGEDMO Cc1ccccc1OCC[N@@H+](C)Cc1ccccc1C#N ZINC000053421788 345119922 /nfs/dbraw/zinc/11/99/22/345119922.db2.gz VSYRVSZSRWZUDQ-UHFFFAOYSA-N 1 1 280.371 3.378 20 30 CGEDMO Cc1ccccc1OCC[N@H+](C)Cc1ccccc1C#N ZINC000053421788 345119924 /nfs/dbraw/zinc/11/99/24/345119924.db2.gz VSYRVSZSRWZUDQ-UHFFFAOYSA-N 1 1 280.371 3.378 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](CNc2cccc(Cl)c2C#N)C1 ZINC000052903998 345110562 /nfs/dbraw/zinc/11/05/62/345110562.db2.gz BLAWSJGXCVSSSY-GFCCVEGCSA-N 1 1 277.799 3.354 20 30 CGEDMO C[C@@H](c1ccc(F)c(F)c1)[NH+]1CCC(C#N)CC1 ZINC000057872899 345189961 /nfs/dbraw/zinc/18/99/61/345189961.db2.gz RQSCVDGXDXXYBE-JTQLQIEISA-N 1 1 250.292 3.261 20 30 CGEDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075021476 345490659 /nfs/dbraw/zinc/49/06/59/345490659.db2.gz JDYQQNABLKOCNL-IUODEOHRSA-N 1 1 296.374 3.229 20 30 CGEDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075021475 345490785 /nfs/dbraw/zinc/49/07/85/345490785.db2.gz JDYQQNABLKOCNL-WFASDCNBSA-N 1 1 296.374 3.229 20 30 CGEDMO Cc1[nH+]ccn1CCCNc1cc(Cl)ccc1C#N ZINC000078333065 345600788 /nfs/dbraw/zinc/60/07/88/345600788.db2.gz VFCMPDIHDIOZKP-UHFFFAOYSA-N 1 1 274.755 3.219 20 30 CGEDMO Cc1[nH+]ccn1CCCCNc1ncc(C#N)cc1Cl ZINC000078336017 345601463 /nfs/dbraw/zinc/60/14/63/345601463.db2.gz CMENFPAZFDAVMS-UHFFFAOYSA-N 1 1 289.770 3.004 20 30 CGEDMO CC[N@H+](CCC#N)Cc1ccc(-n2nc(C)cc2C)cc1 ZINC000081040036 345696831 /nfs/dbraw/zinc/69/68/31/345696831.db2.gz PXMKKPQBRLJBOJ-UHFFFAOYSA-N 1 1 282.391 3.225 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1ccc(-n2nc(C)cc2C)cc1 ZINC000081040036 345696832 /nfs/dbraw/zinc/69/68/32/345696832.db2.gz PXMKKPQBRLJBOJ-UHFFFAOYSA-N 1 1 282.391 3.225 20 30 CGEDMO CC[N@@H+](CCC#N)CCCOc1c(C)cccc1C ZINC000081515171 345711507 /nfs/dbraw/zinc/71/15/07/345711507.db2.gz GLAIIFGMFIDYBU-UHFFFAOYSA-N 1 1 260.381 3.308 20 30 CGEDMO CC[N@H+](CCC#N)CCCOc1c(C)cccc1C ZINC000081515171 345711511 /nfs/dbraw/zinc/71/15/11/345711511.db2.gz GLAIIFGMFIDYBU-UHFFFAOYSA-N 1 1 260.381 3.308 20 30 CGEDMO N#Cc1ccc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000091480044 345816740 /nfs/dbraw/zinc/81/67/40/345816740.db2.gz OWLLDFGNQZOGMV-GFCCVEGCSA-N 1 1 286.766 3.319 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCCN(c2nccs2)CC1 ZINC000091542248 345818144 /nfs/dbraw/zinc/81/81/44/345818144.db2.gz QUUJCCGFXQYQMN-CQSZACIVSA-N 1 1 279.453 3.400 20 30 CGEDMO C[C@H](O)[C@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000089931599 345777229 /nfs/dbraw/zinc/77/72/29/345777229.db2.gz MVTCVMREZCQSNC-GJZGRUSLSA-N 1 1 286.419 3.081 20 30 CGEDMO CC[C@H](CSC)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000091099376 345804141 /nfs/dbraw/zinc/80/41/41/345804141.db2.gz INYQVKHHTKOSDI-OAHLLOKOSA-N 1 1 265.397 3.251 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000093201667 345871813 /nfs/dbraw/zinc/87/18/13/345871813.db2.gz OXLAZKGMXZPKAS-AWEZNQCLSA-N 1 1 262.401 3.005 20 30 CGEDMO CCCC[N@H+]1CCCC[C@H]1CNc1cnccc1C#N ZINC000094152537 345896678 /nfs/dbraw/zinc/89/66/78/345896678.db2.gz MJFSNSVTCYYABR-HNNXBMFYSA-N 1 1 272.396 3.020 20 30 CGEDMO N#Cc1ccc(NC(=O)CC[N@@H+](C2CC2)C2CCCC2)cc1 ZINC000103466262 345921475 /nfs/dbraw/zinc/92/14/75/345921475.db2.gz SFQIEWFVTREUJW-UHFFFAOYSA-N 1 1 297.402 3.294 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)CCc1ccc([N+](=O)[O-])cc1 ZINC000109811790 345943860 /nfs/dbraw/zinc/94/38/60/345943860.db2.gz VRJNACNQIOGUQY-UHFFFAOYSA-N 1 1 289.379 3.399 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)CCc1ccc([N+](=O)[O-])cc1 ZINC000109811790 345943861 /nfs/dbraw/zinc/94/38/61/345943861.db2.gz VRJNACNQIOGUQY-UHFFFAOYSA-N 1 1 289.379 3.399 20 30 CGEDMO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(OC(F)F)cc1 ZINC000125807311 346019143 /nfs/dbraw/zinc/01/91/43/346019143.db2.gz PQYFIIFDYJQKDG-NEPJUHHUSA-N 1 1 293.317 3.382 20 30 CGEDMO CCC(CC)[N@@H+](CC(=O)Nc1sccc1C#N)C1CC1 ZINC000165330788 346183715 /nfs/dbraw/zinc/18/37/15/346183715.db2.gz MTDROGXEJTVECO-UHFFFAOYSA-N 1 1 291.420 3.211 20 30 CGEDMO CC1(C)CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000336855531 213765572 /nfs/dbraw/zinc/76/55/72/213765572.db2.gz XDCHQANVKPETKT-UHFFFAOYSA-N 1 1 299.418 3.399 20 30 CGEDMO CC[C@@H]1CCC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000264178459 346405084 /nfs/dbraw/zinc/40/50/84/346405084.db2.gz XXWIACFSYJFNSC-CQSZACIVSA-N 1 1 258.365 3.211 20 30 CGEDMO Fc1ccc(C#CC[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1 ZINC000289401396 346423604 /nfs/dbraw/zinc/42/36/04/346423604.db2.gz AAAOYROGNZFNMF-MSOLQXFVSA-N 1 1 299.389 3.211 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1 ZINC000289401396 346423608 /nfs/dbraw/zinc/42/36/08/346423608.db2.gz AAAOYROGNZFNMF-MSOLQXFVSA-N 1 1 299.389 3.211 20 30 CGEDMO CC(C)[C@@H]1CCCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000303711588 346445277 /nfs/dbraw/zinc/44/52/77/346445277.db2.gz UKMWNHPGAOTEBE-KRWDZBQOSA-N 1 1 272.392 3.448 20 30 CGEDMO CCOC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1C ZINC000313465212 346479784 /nfs/dbraw/zinc/47/97/84/346479784.db2.gz CNPFVDBWHMVAPA-QGZVFWFLSA-N 1 1 272.392 3.258 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1nc2ccccc2n1C ZINC000314742280 346482726 /nfs/dbraw/zinc/48/27/26/346482726.db2.gz RZHQFPITXSKRDQ-CYBMUJFWSA-N 1 1 290.370 3.296 20 30 CGEDMO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)C(=O)OC(C)(C)C)C1 ZINC000593614124 347095312 /nfs/dbraw/zinc/09/53/12/347095312.db2.gz ZWAIOBTUNPUNDD-JHJVBQTASA-N 1 1 253.386 3.051 20 30 CGEDMO N#CCC1(C[N@H+]2CC[C@H](COCc3ccccc3)C2)CC1 ZINC000384315657 346564053 /nfs/dbraw/zinc/56/40/53/346564053.db2.gz UFEGARKYSPZZOG-KRWDZBQOSA-N 1 1 284.403 3.219 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](CCCOCc2ccccc2)C1 ZINC000397678043 346583942 /nfs/dbraw/zinc/58/39/42/346583942.db2.gz LCSGUIMFXSUIDV-MRXNPFEDSA-N 1 1 272.392 3.219 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC000397662931 346584193 /nfs/dbraw/zinc/58/41/93/346584193.db2.gz OGSGXTXYKAEIAF-LLVKDONJSA-N 1 1 250.292 3.090 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000397662931 346584195 /nfs/dbraw/zinc/58/41/95/346584195.db2.gz OGSGXTXYKAEIAF-LLVKDONJSA-N 1 1 250.292 3.090 20 30 CGEDMO C=CCOCCC[N@H+]1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000451462132 346620649 /nfs/dbraw/zinc/62/06/49/346620649.db2.gz JMTLUQAPLUXUBB-INIZCTEOSA-N 1 1 285.391 3.293 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000397852346 346585187 /nfs/dbraw/zinc/58/51/87/346585187.db2.gz SEFFVYHTXZRCBV-CQSZACIVSA-N 1 1 265.360 3.360 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](CCc2c(F)cccc2F)C1 ZINC000402937344 346595972 /nfs/dbraw/zinc/59/59/72/346595972.db2.gz MQFNXECXGIPUCK-GFCCVEGCSA-N 1 1 264.319 3.133 20 30 CGEDMO CC[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)[C@@H](CC)CO1 ZINC000403960787 346598165 /nfs/dbraw/zinc/59/81/65/346598165.db2.gz NJZHBCLJDORFOP-DLBZAZTESA-N 1 1 272.392 3.142 20 30 CGEDMO CC[C@H]1C[N@@H+](CCCCC(C)(C)C#N)[C@@H](C)CO1 ZINC000404015603 346598940 /nfs/dbraw/zinc/59/89/40/346598940.db2.gz WKUKSOQALNSBOI-KBPBESRZSA-N 1 1 252.402 3.206 20 30 CGEDMO N#CC[N@H+](CC1Cc2ccccc2C1)C1CCCC1 ZINC000559238150 346658227 /nfs/dbraw/zinc/65/82/27/346658227.db2.gz RZNNKGRRXHAUHB-UHFFFAOYSA-N 1 1 254.377 3.170 20 30 CGEDMO N#CC[N@@H+](CC1Cc2ccccc2C1)C1CCCC1 ZINC000559238150 346658230 /nfs/dbraw/zinc/65/82/30/346658230.db2.gz RZNNKGRRXHAUHB-UHFFFAOYSA-N 1 1 254.377 3.170 20 30 CGEDMO COCC[N@H+](CCC#N)CCC1CCCCCC1 ZINC000589162682 346785679 /nfs/dbraw/zinc/78/56/79/346785679.db2.gz CSUKSVWUGFXNHR-UHFFFAOYSA-N 1 1 252.402 3.209 20 30 CGEDMO COCC[N@@H+](CCC#N)CCC1CCCCCC1 ZINC000589162682 346785681 /nfs/dbraw/zinc/78/56/81/346785681.db2.gz CSUKSVWUGFXNHR-UHFFFAOYSA-N 1 1 252.402 3.209 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000589272753 346791989 /nfs/dbraw/zinc/79/19/89/346791989.db2.gz URZSIRGRLYUPOC-IRXDYDNUSA-N 1 1 284.403 3.256 20 30 CGEDMO CCc1nnc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)s1 ZINC000589350889 346794921 /nfs/dbraw/zinc/79/49/21/346794921.db2.gz YNCQZUUKZLBQCP-CQSZACIVSA-N 1 1 298.415 3.139 20 30 CGEDMO C/C(=C\c1ccccc1OC(F)F)C[NH2+]C[C@H](C)C#N ZINC000589511396 346798697 /nfs/dbraw/zinc/79/86/97/346798697.db2.gz HZLMWWSKBFCQSF-YTRUQHMWSA-N 1 1 280.318 3.441 20 30 CGEDMO Cc1cc(-c2noc([C@@H]([NH3+])CCCCC#N)n2)ccc1F ZINC000593943612 347121067 /nfs/dbraw/zinc/12/10/67/347121067.db2.gz MUEKSRNUDMOCGX-ZDUSSCGKSA-N 1 1 288.326 3.268 20 30 CGEDMO N#Cc1ccc(C[N@@H+](C2CC2)C2CCCCC2)nc1 ZINC000593945921 347121684 /nfs/dbraw/zinc/12/16/84/347121684.db2.gz UZRXYPJTUXVVGW-UHFFFAOYSA-N 1 1 255.365 3.250 20 30 CGEDMO CC[N@@H+](CCCc1c(F)cccc1F)C[C@H](C)C#N ZINC000593952217 347122766 /nfs/dbraw/zinc/12/27/66/347122766.db2.gz SGSQDRADFIJJLD-GFCCVEGCSA-N 1 1 266.335 3.379 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCC[C@H]2C2CCC2)nc1 ZINC000594016463 347138618 /nfs/dbraw/zinc/13/86/18/347138618.db2.gz XTTGNQDUXTZOGO-INIZCTEOSA-N 1 1 255.365 3.108 20 30 CGEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CCCCC#N)C1 ZINC000593967742 347125562 /nfs/dbraw/zinc/12/55/62/347125562.db2.gz XNLZYNONPINGRF-RDJZCZTQSA-N 1 1 299.418 3.022 20 30 CGEDMO Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]CC1(C#N)CCC1 ZINC000594607503 347202219 /nfs/dbraw/zinc/20/22/19/347202219.db2.gz WBYMXBXZYFEOFG-UHFFFAOYSA-N 1 1 294.402 3.273 20 30 CGEDMO CC[NH+](CC)C[C@@H](C)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594497818 347179355 /nfs/dbraw/zinc/17/93/55/347179355.db2.gz HPYLLBHWPZVCFW-OAHLLOKOSA-N 1 1 287.451 3.308 20 30 CGEDMO N#Cc1ccc(CN[C@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000594977369 347247223 /nfs/dbraw/zinc/24/72/23/347247223.db2.gz KZOWTEWXJJVJLD-KRWDZBQOSA-N 1 1 283.419 3.055 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@H]2CCN(C3CCCCC3)C2)cc1 ZINC000594977369 347247226 /nfs/dbraw/zinc/24/72/26/347247226.db2.gz KZOWTEWXJJVJLD-KRWDZBQOSA-N 1 1 283.419 3.055 20 30 CGEDMO CC(C)n1cc(C[NH2+]CC2(C#N)CCCCC2)cn1 ZINC000594981162 347247595 /nfs/dbraw/zinc/24/75/95/347247595.db2.gz IFZVLPZFHDLONT-UHFFFAOYSA-N 1 1 260.385 3.028 20 30 CGEDMO N#Cc1ccc(CC[N@@H+]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000595288754 347286535 /nfs/dbraw/zinc/28/65/35/347286535.db2.gz LNWMIBFGASWMFC-AWEZNQCLSA-N 1 1 282.309 3.375 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000595299576 347289404 /nfs/dbraw/zinc/28/94/04/347289404.db2.gz UZDDHVOPWLQIHQ-LJQANCHMSA-N 1 1 292.382 3.174 20 30 CGEDMO CN(CC[C@H]1CCCC[N@H+]1C)[C@@H](C#N)c1ccccc1 ZINC000595327741 347291727 /nfs/dbraw/zinc/29/17/27/347291727.db2.gz RKEWBRHGTOGLTI-SJORKVTESA-N 1 1 271.408 3.057 20 30 CGEDMO CO[C@@H](C[N@@H+](CCC#N)CCC(C)C)C1CCC1 ZINC000595342320 347295221 /nfs/dbraw/zinc/29/52/21/347295221.db2.gz ARWWHNMCUOCYLK-HNNXBMFYSA-N 1 1 252.402 3.063 20 30 CGEDMO CCN(C(=O)[C@H](C)[N@@H+]1CCC[C@H](CC#N)C1)c1ccccc1 ZINC000595609387 347325526 /nfs/dbraw/zinc/32/55/26/347325526.db2.gz JHCUBUBEMARWNE-JKSUJKDBSA-N 1 1 299.418 3.054 20 30 CGEDMO CCN(C(=O)[C@H](C)[N@H+]1CCC[C@H](CC#N)C1)c1ccccc1 ZINC000595609387 347325530 /nfs/dbraw/zinc/32/55/30/347325530.db2.gz JHCUBUBEMARWNE-JKSUJKDBSA-N 1 1 299.418 3.054 20 30 CGEDMO C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595611016 347326232 /nfs/dbraw/zinc/32/62/32/347326232.db2.gz FXVWWLSYPAEOPZ-ZIAGYGMSSA-N 1 1 296.374 3.423 20 30 CGEDMO C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595611016 347326234 /nfs/dbraw/zinc/32/62/34/347326234.db2.gz FXVWWLSYPAEOPZ-ZIAGYGMSSA-N 1 1 296.374 3.423 20 30 CGEDMO COc1ccc(OCCC[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595611950 347326793 /nfs/dbraw/zinc/32/67/93/347326793.db2.gz PWJUEEVLQYIJET-OAHLLOKOSA-N 1 1 288.391 3.090 20 30 CGEDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595613750 347327949 /nfs/dbraw/zinc/32/79/49/347327949.db2.gz GWSQSICBMOUYSE-OLZOCXBDSA-N 1 1 273.336 3.281 20 30 CGEDMO CCc1ccccc1CC[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595623118 347329218 /nfs/dbraw/zinc/32/92/18/347329218.db2.gz HZILSFLOQNKESQ-HNNXBMFYSA-N 1 1 256.393 3.417 20 30 CGEDMO CC(C)(NCCC[NH+]1CCCCC1)c1cccc(C#N)c1 ZINC000595640642 347331898 /nfs/dbraw/zinc/33/18/98/347331898.db2.gz SPWJMTXIPVCQNL-UHFFFAOYSA-N 1 1 285.435 3.259 20 30 CGEDMO CC(C)([NH2+]CCCN1CCCCC1)c1cccc(C#N)c1 ZINC000595640642 347331899 /nfs/dbraw/zinc/33/18/99/347331899.db2.gz SPWJMTXIPVCQNL-UHFFFAOYSA-N 1 1 285.435 3.259 20 30 CGEDMO C[C@@H]1COC2(CCCC2)C[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000595816827 347359348 /nfs/dbraw/zinc/35/93/48/347359348.db2.gz YCDZPAIOMSYPTM-CYBMUJFWSA-N 1 1 288.366 3.231 20 30 CGEDMO C[C@@H]1COC2(CCCC2)C[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000595816827 347359352 /nfs/dbraw/zinc/35/93/52/347359352.db2.gz YCDZPAIOMSYPTM-CYBMUJFWSA-N 1 1 288.366 3.231 20 30 CGEDMO C=CC[N@H+](CCOc1cccc(C#N)c1)C(C)(C)C ZINC000595763952 347352688 /nfs/dbraw/zinc/35/26/88/347352688.db2.gz STJXJANCGHXAMI-UHFFFAOYSA-N 1 1 258.365 3.224 20 30 CGEDMO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)C[C@H](C)O1 ZINC000595781953 347355221 /nfs/dbraw/zinc/35/52/21/347355221.db2.gz XCTMRTYEKZZOKF-NEPJUHHUSA-N 1 1 278.783 3.211 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@H](C)O1 ZINC000595781953 347355223 /nfs/dbraw/zinc/35/52/23/347355223.db2.gz XCTMRTYEKZZOKF-NEPJUHHUSA-N 1 1 278.783 3.211 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c1 ZINC000595788029 347355782 /nfs/dbraw/zinc/35/57/82/347355782.db2.gz MFLLKVWAXPMAFC-QZTJIDSGSA-N 1 1 284.403 3.339 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)cc1 ZINC000595786861 347355813 /nfs/dbraw/zinc/35/58/13/347355813.db2.gz IAEBWGGPCSPINM-MOPGFXCFSA-N 1 1 298.430 3.382 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595785325 347356119 /nfs/dbraw/zinc/35/61/19/347356119.db2.gz DJBCTXDIRAGBAQ-HUUCEWRRSA-N 1 1 264.413 3.207 20 30 CGEDMO CC(C)[C@H]1CN([C@@H](C#N)c2ccc(Cl)cc2)CC[N@H+]1C ZINC000595463041 347307403 /nfs/dbraw/zinc/30/74/03/347307403.db2.gz YJPGXAQCOLOZSG-JKSUJKDBSA-N 1 1 291.826 3.177 20 30 CGEDMO C[N@H+]1CC[C@H](N[C@H](C#N)c2ccccc2)[C@H]1c1ccccc1 ZINC000595477430 347309037 /nfs/dbraw/zinc/30/90/37/347309037.db2.gz SQRTWGNUBSLUSE-IPMKNSEASA-N 1 1 291.398 3.286 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCC[C@@H](C3CC3)C2)cc1 ZINC000595498358 347312268 /nfs/dbraw/zinc/31/22/68/347312268.db2.gz RTDPDNICVAJLRH-QGZVFWFLSA-N 1 1 254.377 3.223 20 30 CGEDMO CSC[C@@H]1CCC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595510635 347313585 /nfs/dbraw/zinc/31/35/85/347313585.db2.gz LVWFEASZTMBPOP-MRXNPFEDSA-N 1 1 274.433 3.176 20 30 CGEDMO CO[C@H](C[N@@H+](C)[C@H](C)c1cccc(C#N)c1)C1CCC1 ZINC000595548614 347318221 /nfs/dbraw/zinc/31/82/21/347318221.db2.gz CQSIXLSXZYUCSL-CXAGYDPISA-N 1 1 272.392 3.366 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@H]3C[C@H]3C2)cc1 ZINC000595811572 347357998 /nfs/dbraw/zinc/35/79/98/347357998.db2.gz VFJXAFLMAWRPGX-GJZGRUSLSA-N 1 1 254.377 3.330 20 30 CGEDMO Cc1cc(C)cc(OCCC[N@@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000595835630 347363296 /nfs/dbraw/zinc/36/32/96/347363296.db2.gz SSTQVIKORKIXDG-KRWDZBQOSA-N 1 1 272.392 3.308 20 30 CGEDMO Cc1cc(C)cc(OCCC[N@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000595835630 347363298 /nfs/dbraw/zinc/36/32/98/347363298.db2.gz SSTQVIKORKIXDG-KRWDZBQOSA-N 1 1 272.392 3.308 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](CCCOc2cccc(Cl)c2)C1 ZINC000595838676 347364631 /nfs/dbraw/zinc/36/46/31/347364631.db2.gz CTVGKZGPBIWKCQ-HNNXBMFYSA-N 1 1 278.783 3.344 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](CCCOc2cccc(Cl)c2)C1 ZINC000595838676 347364634 /nfs/dbraw/zinc/36/46/34/347364634.db2.gz CTVGKZGPBIWKCQ-HNNXBMFYSA-N 1 1 278.783 3.344 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC1=CCSC1 ZINC000595888476 347370898 /nfs/dbraw/zinc/37/08/98/347370898.db2.gz NAJJHFBUUJUHSH-LBPRGKRZSA-N 1 1 258.390 3.224 20 30 CGEDMO C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C[C@@H]1CC1(C)C ZINC000595912094 347371837 /nfs/dbraw/zinc/37/18/37/347371837.db2.gz IQLCYAHWDHADCV-AWEZNQCLSA-N 1 1 296.374 3.086 20 30 CGEDMO CC1(C)C[N@H+]([C@@H]2CC[C@@H](C#N)C2)[C@H]1c1ccncc1 ZINC000596593733 347484191 /nfs/dbraw/zinc/48/41/91/347484191.db2.gz RISULMVLUXIPLR-YUELXQCFSA-N 1 1 255.365 3.157 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000597174742 347544532 /nfs/dbraw/zinc/54/45/32/347544532.db2.gz UNFMGSSRGLAHPH-CQSZACIVSA-N 1 1 280.375 3.202 20 30 CGEDMO CC[N@@H+](Cc1cc2ccncc2s1)C[C@H](C)C#N ZINC000596993094 347525333 /nfs/dbraw/zinc/52/53/33/347525333.db2.gz ZGHLTIRUJAFIEE-LLVKDONJSA-N 1 1 259.378 3.278 20 30 CGEDMO CC[N@H+](Cc1cc2ccncc2s1)C[C@H](C)C#N ZINC000596993094 347525337 /nfs/dbraw/zinc/52/53/37/347525337.db2.gz ZGHLTIRUJAFIEE-LLVKDONJSA-N 1 1 259.378 3.278 20 30 CGEDMO COCc1csc(C[N@H+](CCC#N)CC2CC2)c1 ZINC000596995482 347525703 /nfs/dbraw/zinc/52/57/03/347525703.db2.gz IGAJXZVWKJPICD-UHFFFAOYSA-N 1 1 264.394 3.020 20 30 CGEDMO COCc1csc(C[N@@H+](CCC#N)CC2CC2)c1 ZINC000596995482 347525711 /nfs/dbraw/zinc/52/57/11/347525711.db2.gz IGAJXZVWKJPICD-UHFFFAOYSA-N 1 1 264.394 3.020 20 30 CGEDMO CC[N@H+]1C[C@@H](C)N(Cc2ccc(C3(C#N)CC3)cc2)C[C@@H]1C ZINC000597012965 347527847 /nfs/dbraw/zinc/52/78/47/347527847.db2.gz GDQYZOOWYSFSCV-JKSUJKDBSA-N 1 1 297.446 3.156 20 30 CGEDMO CCN1C[C@@H](C)[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@@H]1C ZINC000597012965 347527848 /nfs/dbraw/zinc/52/78/48/347527848.db2.gz GDQYZOOWYSFSCV-JKSUJKDBSA-N 1 1 297.446 3.156 20 30 CGEDMO CCN1C[C@@H](C)[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@@H]1C ZINC000597012965 347527850 /nfs/dbraw/zinc/52/78/50/347527850.db2.gz GDQYZOOWYSFSCV-JKSUJKDBSA-N 1 1 297.446 3.156 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000597177910 347545459 /nfs/dbraw/zinc/54/54/59/347545459.db2.gz SAPNHBQTWZMNTI-OCCSQVGLSA-N 1 1 291.420 3.120 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000597177910 347545463 /nfs/dbraw/zinc/54/54/63/347545463.db2.gz SAPNHBQTWZMNTI-OCCSQVGLSA-N 1 1 291.420 3.120 20 30 CGEDMO Cc1cccc2[nH]c(C[NH2+]CC3(C#N)CCC3)cc21 ZINC000597152454 347540890 /nfs/dbraw/zinc/54/08/90/347540890.db2.gz AYPDIVANURRZCS-UHFFFAOYSA-N 1 1 253.349 3.260 20 30 CGEDMO COCc1ccccc1/C=C(/C)C[NH+]1CC(CC#N)C1 ZINC000597202889 347553769 /nfs/dbraw/zinc/55/37/69/347553769.db2.gz DNPBQCUXDUFOGV-ZROIWOOFSA-N 1 1 270.376 3.082 20 30 CGEDMO CC(C)COc1ccccc1C[NH+]1CC(CC#N)C1 ZINC000597203203 347554303 /nfs/dbraw/zinc/55/43/03/347554303.db2.gz HZTHSIVUCPTFPW-UHFFFAOYSA-N 1 1 258.365 3.067 20 30 CGEDMO CN(c1ccccc1)[C@@H]1CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000597224427 347557858 /nfs/dbraw/zinc/55/78/58/347557858.db2.gz FGWPMGLRBQJXFT-MRXNPFEDSA-N 1 1 297.427 3.330 20 30 CGEDMO N#CCC1C[NH+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000597193060 347547891 /nfs/dbraw/zinc/54/78/91/347547891.db2.gz CLOOWPHJYAXRTM-UHFFFAOYSA-N 1 1 286.766 3.076 20 30 CGEDMO COc1nc(C)cc(C)c1C[N@H+](C)CCC(C)(C)C#N ZINC000598647347 347674814 /nfs/dbraw/zinc/67/48/14/347674814.db2.gz BOKKUPLNSTWEMG-UHFFFAOYSA-N 1 1 275.396 3.079 20 30 CGEDMO COc1nc(C)cc(C)c1C[N@@H+](C)CCC(C)(C)C#N ZINC000598647347 347674817 /nfs/dbraw/zinc/67/48/17/347674817.db2.gz BOKKUPLNSTWEMG-UHFFFAOYSA-N 1 1 275.396 3.079 20 30 CGEDMO CC(C)[C@@H]1[N@@H+](C[C@@H](O)CC(C)(C)C#N)CC12CCCC2 ZINC000598707729 347681154 /nfs/dbraw/zinc/68/11/54/347681154.db2.gz ZMEGVFDMSBUWFT-GJZGRUSLSA-N 1 1 278.440 3.188 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@@H]2CCCc3scnc32)cc1F ZINC000599051735 347710643 /nfs/dbraw/zinc/71/06/43/347710643.db2.gz XKNOPLFRAAKHOL-CYBMUJFWSA-N 1 1 287.363 3.321 20 30 CGEDMO CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)[C@H](C)c1ccc(C#N)cc1 ZINC000598586340 347666599 /nfs/dbraw/zinc/66/65/99/347666599.db2.gz GIEZZGLAJDTGNN-PBHICJAKSA-N 1 1 299.418 3.242 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000598585232 347666661 /nfs/dbraw/zinc/66/66/61/347666661.db2.gz AKWGJHKNLKBIAQ-HZPDHXFCSA-N 1 1 290.382 3.263 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)C[C@H](O)CC(C)(C)C#N ZINC000598588149 347667493 /nfs/dbraw/zinc/66/74/93/347667493.db2.gz YXLJECYRZDZVBQ-QGZVFWFLSA-N 1 1 286.419 3.018 20 30 CGEDMO C[C@@H]1CC[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@H]2CCCC[C@H]12 ZINC000598588325 347667777 /nfs/dbraw/zinc/66/77/77/347667777.db2.gz ITQQOZNEMJJESC-FPCVCCKLSA-N 1 1 278.440 3.188 20 30 CGEDMO Cc1ccc([C@@H]2CCC[N@H+]2C[C@@H](O)CC(C)(C)C#N)o1 ZINC000598592118 347667797 /nfs/dbraw/zinc/66/77/97/347667797.db2.gz FXHOANYYHBMFPA-KBPBESRZSA-N 1 1 276.380 3.026 20 30 CGEDMO C[C@@H]1CC[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@H]2CCCC[C@@H]12 ZINC000598588328 347667835 /nfs/dbraw/zinc/66/78/35/347667835.db2.gz ITQQOZNEMJJESC-WCVJEAGWSA-N 1 1 278.440 3.188 20 30 CGEDMO CC[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@H](C)c1cccc(O)c1 ZINC000598595398 347669378 /nfs/dbraw/zinc/66/93/78/347669378.db2.gz NQVCXLITZFWRAA-CZUORRHYSA-N 1 1 290.407 3.076 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000598605102 347670509 /nfs/dbraw/zinc/67/05/09/347670509.db2.gz YUOPBQNXCBZQHE-LSSLULSBSA-N 1 1 298.430 3.465 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000599641337 347761814 /nfs/dbraw/zinc/76/18/14/347761814.db2.gz NJYRMFSNMDBPPJ-CQSZACIVSA-N 1 1 288.395 3.039 20 30 CGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCC2(CC2)CC1 ZINC000599672101 347763253 /nfs/dbraw/zinc/76/32/53/347763253.db2.gz ALKHIBZXGVDZCM-CQSZACIVSA-N 1 1 297.402 3.151 20 30 CGEDMO N#CCc1cccc2c1CC[N@@H+](Cc1cccc(F)c1)C2 ZINC000599675757 347763844 /nfs/dbraw/zinc/76/38/44/347763844.db2.gz NXWDYXWKLBUCIG-UHFFFAOYSA-N 1 1 280.346 3.450 20 30 CGEDMO N#CCc1cccc2c1CC[N@H+](Cc1cccc(F)c1)C2 ZINC000599675757 347763847 /nfs/dbraw/zinc/76/38/47/347763847.db2.gz NXWDYXWKLBUCIG-UHFFFAOYSA-N 1 1 280.346 3.450 20 30 CGEDMO N#CCc1cccc2c1CC[N@@H+](Cc1ccccc1F)C2 ZINC000599676422 347763853 /nfs/dbraw/zinc/76/38/53/347763853.db2.gz QSLVAXXVEGLKAK-UHFFFAOYSA-N 1 1 280.346 3.450 20 30 CGEDMO N#CCc1cccc2c1CC[N@H+](Cc1ccccc1F)C2 ZINC000599676422 347763855 /nfs/dbraw/zinc/76/38/55/347763855.db2.gz QSLVAXXVEGLKAK-UHFFFAOYSA-N 1 1 280.346 3.450 20 30 CGEDMO N#CCc1cccc2c1CC[N@@H+](CC1=CCCC1)C2 ZINC000599677783 347764737 /nfs/dbraw/zinc/76/47/37/347764737.db2.gz LBCVUTHAOARCOC-UHFFFAOYSA-N 1 1 252.361 3.221 20 30 CGEDMO CC(C)C[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(C)(C#N)CC1 ZINC000599365065 347740545 /nfs/dbraw/zinc/74/05/45/347740545.db2.gz BFMZGVMZDBDMCK-AWEZNQCLSA-N 1 1 294.439 3.368 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@H]2CCc3ccc(F)cc32)o1 ZINC000537300684 288522992 /nfs/dbraw/zinc/52/29/92/288522992.db2.gz XQNVVHXOSCAKMB-HNNXBMFYSA-N 1 1 256.280 3.067 20 30 CGEDMO C[C@@H]1C[NH+](Cc2cc(C#N)ccc2F)C[C@@H](C)C1(F)F ZINC000599512248 347749031 /nfs/dbraw/zinc/74/90/31/347749031.db2.gz GUMVCKFGYDLATN-GHMZBOCLSA-N 1 1 282.309 3.420 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CCCCC(=O)OC(C)(C)C)C1 ZINC000599529015 347751252 /nfs/dbraw/zinc/75/12/52/347751252.db2.gz KGNSUCZOYWPMJU-AWEZNQCLSA-N 1 1 267.413 3.396 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2CCCC(F)(F)CC2)c1 ZINC000599551094 347753358 /nfs/dbraw/zinc/75/33/58/347753358.db2.gz HUEMXJILUKCGEU-UHFFFAOYSA-N 1 1 268.282 3.319 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCCC(F)(F)CC2)c1 ZINC000599551094 347753361 /nfs/dbraw/zinc/75/33/61/347753361.db2.gz HUEMXJILUKCGEU-UHFFFAOYSA-N 1 1 268.282 3.319 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CC[C@@H](c3ccc(O)cc3)C2)c1 ZINC000600214009 347794931 /nfs/dbraw/zinc/79/49/31/347794931.db2.gz KBDLXHXZCPYWHY-CQSZACIVSA-N 1 1 284.384 3.315 20 30 CGEDMO Cc1cc(C)c(COc2ccccc2C#N)c(C)[nH+]1 ZINC000601070082 347862739 /nfs/dbraw/zinc/86/27/39/347862739.db2.gz PLFRITOVQMXNQB-UHFFFAOYSA-N 1 1 252.317 3.458 20 30 CGEDMO C[C@@H](c1ccccc1)[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602432674 347957436 /nfs/dbraw/zinc/95/74/36/347957436.db2.gz NGUUSAGSIRJYPZ-ZDUSSCGKSA-N 1 1 251.333 3.146 20 30 CGEDMO N#Cc1cccc(C[NH2+][C@@H]2CCOc3c(Cl)cccc32)n1 ZINC000602528347 347976672 /nfs/dbraw/zinc/97/66/72/347976672.db2.gz OPMVGOORRXUNCP-OAHLLOKOSA-N 1 1 299.761 3.220 20 30 CGEDMO N#Cc1cccc(C[N@@H+](C2CC2)C2CCCCC2)n1 ZINC000602441314 347959060 /nfs/dbraw/zinc/95/90/60/347959060.db2.gz XFPMDNRUNFTNQJ-UHFFFAOYSA-N 1 1 255.365 3.250 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602441765 347959359 /nfs/dbraw/zinc/95/93/59/347959359.db2.gz ZPLORNFAKFNNAA-ZDUSSCGKSA-N 1 1 287.363 3.499 20 30 CGEDMO COCC[N@@H+](Cc1cccc(C#N)n1)[C@@H](C)c1ccccc1 ZINC000602445439 347959505 /nfs/dbraw/zinc/95/95/05/347959505.db2.gz VQOFJCNKTSVORU-HNNXBMFYSA-N 1 1 295.386 3.163 20 30 CGEDMO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CC1(CC#N)CC1 ZINC000602781595 348027961 /nfs/dbraw/zinc/02/79/61/348027961.db2.gz UFDNSXOYRHTSPM-GFCCVEGCSA-N 1 1 258.340 3.439 20 30 CGEDMO CC[N@@H+](CC1(CC#N)CC1)[C@@H](C)c1cccc(O)c1 ZINC000602781440 348027974 /nfs/dbraw/zinc/02/79/74/348027974.db2.gz XVMVXKBEZSPIKN-ZDUSSCGKSA-N 1 1 258.365 3.469 20 30 CGEDMO C[C@@H](CCC#N)C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000602647363 348000770 /nfs/dbraw/zinc/00/07/70/348000770.db2.gz HLFORUATYXJCRE-FUHWJXTLSA-N 1 1 285.435 3.038 20 30 CGEDMO CCC[N@@H+](CCN1CCCCC1)C[C@@H](C)CCC#N ZINC000602657527 348002958 /nfs/dbraw/zinc/00/29/58/348002958.db2.gz ZOJKVZXMGNDQNF-INIZCTEOSA-N 1 1 265.445 3.124 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000602663288 348003482 /nfs/dbraw/zinc/00/34/82/348003482.db2.gz SEKJYXYIQCCBAS-OQIJWPOYSA-N 1 1 298.430 3.431 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc[nH]c(=O)c1 ZINC000602786661 348029331 /nfs/dbraw/zinc/02/93/31/348029331.db2.gz SKXQTASACYAMQE-DLBZAZTESA-N 1 1 293.370 3.059 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000602716900 348016278 /nfs/dbraw/zinc/01/62/78/348016278.db2.gz LEFURHPTDSVTFP-OWCLPIDISA-N 1 1 264.413 3.207 20 30 CGEDMO CC(C)(C[N@H+]1CC[C@](C)(C#N)C1)Oc1ccccc1 ZINC000602718308 348016579 /nfs/dbraw/zinc/01/65/79/348016579.db2.gz MPSYJTRTUBKGCK-MRXNPFEDSA-N 1 1 258.365 3.080 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000602720397 348017242 /nfs/dbraw/zinc/01/72/42/348017242.db2.gz ZOWQILLNJRYEBV-GDBMZVCRSA-N 1 1 288.391 3.373 20 30 CGEDMO Cc1ccccc1[C@H]1C[N@H+](CC2(CC#N)CC2)[C@@H](C)CO1 ZINC000602786704 348029555 /nfs/dbraw/zinc/02/95/55/348029555.db2.gz XCTUJEFEOFYXHL-DOTOQJQBSA-N 1 1 284.403 3.451 20 30 CGEDMO Cc1ccccc1[C@H]1C[N@@H+](CC2(CC#N)CC2)[C@@H](C)CO1 ZINC000602786704 348029558 /nfs/dbraw/zinc/02/95/58/348029558.db2.gz XCTUJEFEOFYXHL-DOTOQJQBSA-N 1 1 284.403 3.451 20 30 CGEDMO N#CCc1cccc2c1CC[N@@H+](CC1CCSCC1)C2 ZINC000602728906 348019377 /nfs/dbraw/zinc/01/93/77/348019377.db2.gz DJGNEUIUQOEOIK-UHFFFAOYSA-N 1 1 286.444 3.254 20 30 CGEDMO CC(C)(CCC#N)CN1CCC(C)([NH+]2CCCC2)CC1 ZINC000602732370 348021138 /nfs/dbraw/zinc/02/11/38/348021138.db2.gz HSBFDAIFDWYUSS-UHFFFAOYSA-N 1 1 277.456 3.267 20 30 CGEDMO C=C(C)C[C@@H]([NH2+]C1CCC(CSC)CC1)C(=O)OC ZINC000602735406 348021791 /nfs/dbraw/zinc/02/17/91/348021791.db2.gz WRVFCZFFVDWGEU-JXQTWKCFSA-N 1 1 285.453 3.006 20 30 CGEDMO Cc1ccccc1C[N@H+]1CCCN(CC2(CC#N)CC2)CC1 ZINC000602759776 348024769 /nfs/dbraw/zinc/02/47/69/348024769.db2.gz LAXPFULXBAZLJD-UHFFFAOYSA-N 1 1 297.446 3.197 20 30 CGEDMO Cc1ccccc1CN1CCC[N@H+](CC2(CC#N)CC2)CC1 ZINC000602759776 348024772 /nfs/dbraw/zinc/02/47/72/348024772.db2.gz LAXPFULXBAZLJD-UHFFFAOYSA-N 1 1 297.446 3.197 20 30 CGEDMO Cc1ccccc1CN1CCC[N@@H+](CC2(CC#N)CC2)CC1 ZINC000602759776 348024773 /nfs/dbraw/zinc/02/47/73/348024773.db2.gz LAXPFULXBAZLJD-UHFFFAOYSA-N 1 1 297.446 3.197 20 30 CGEDMO COCc1cc(C#N)ccc1NCCCCn1cc[nH+]c1C ZINC000603297975 348069192 /nfs/dbraw/zinc/06/91/92/348069192.db2.gz SOCNATJGKWMHBH-UHFFFAOYSA-N 1 1 298.390 3.102 20 30 CGEDMO N#CCC1(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)CC1 ZINC000602795295 348030433 /nfs/dbraw/zinc/03/04/33/348030433.db2.gz LEUKCCDMHWVIIM-MRXNPFEDSA-N 1 1 269.392 3.257 20 30 CGEDMO C[C@@H]1OCC[C@H]1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000602801050 348031232 /nfs/dbraw/zinc/03/12/32/348031232.db2.gz YZIPVOMFDWCZMA-KSSFIOAISA-N 1 1 282.387 3.072 20 30 CGEDMO Cc1ccc([C@H]2CC[N@@H+](CC3(CC#N)CC3)C2)cc1 ZINC000602803725 348031605 /nfs/dbraw/zinc/03/16/05/348031605.db2.gz FYPRHBGGPVASAH-INIZCTEOSA-N 1 1 254.377 3.478 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000602810258 348032391 /nfs/dbraw/zinc/03/23/91/348032391.db2.gz GHOAIROFJYTXLF-JKSUJKDBSA-N 1 1 296.418 3.441 20 30 CGEDMO N#CCC1(C[N@H+]2CC[C@@H](c3ccc4cccnc4n3)C2)CC1 ZINC000602881292 348039655 /nfs/dbraw/zinc/03/96/55/348039655.db2.gz GEVDUVIYVQGGLZ-OAHLLOKOSA-N 1 1 292.386 3.113 20 30 CGEDMO C[C@@H]1CCCC[C@@H]1OCC[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602975865 348048512 /nfs/dbraw/zinc/04/85/12/348048512.db2.gz IDOPQXTUWYTLSG-QXSJWSMHSA-N 1 1 264.413 3.206 20 30 CGEDMO C[C@@H]1CCCC[C@@H]1OCC[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602975865 348048513 /nfs/dbraw/zinc/04/85/13/348048513.db2.gz IDOPQXTUWYTLSG-QXSJWSMHSA-N 1 1 264.413 3.206 20 30 CGEDMO C[N@@H+](CCCCC1CCOCC1)[C@H]1CCC[C@H]1C#N ZINC000602982564 348052521 /nfs/dbraw/zinc/05/25/21/348052521.db2.gz UVWXAUHHDASDLT-HOTGVXAUSA-N 1 1 264.413 3.207 20 30 CGEDMO C[C@@H](C[N@@H+](C)CC(=O)Nc1sccc1C#N)C(C)(C)C ZINC000603054937 348056781 /nfs/dbraw/zinc/05/67/81/348056781.db2.gz LDAUARJACGHXRC-NSHDSACASA-N 1 1 293.436 3.172 20 30 CGEDMO C=CCCCCC[N@H+](C)CC(=O)NCc1cccc(C)c1 ZINC000606902673 348206780 /nfs/dbraw/zinc/20/67/80/348206780.db2.gz OELCNYQTDHHICY-UHFFFAOYSA-N 1 1 288.435 3.289 20 30 CGEDMO CCC[N@@H+](Cc1ccc(OC)cc1)C[C@@H](C#N)CCC#N ZINC000609575006 348348146 /nfs/dbraw/zinc/34/81/46/348348146.db2.gz SCJWEGHGPPWZDQ-MRXNPFEDSA-N 1 1 285.391 3.351 20 30 CGEDMO CCC[N@H+](Cc1ccc(OC)cc1)C[C@@H](C#N)CCC#N ZINC000609575006 348348148 /nfs/dbraw/zinc/34/81/48/348348148.db2.gz SCJWEGHGPPWZDQ-MRXNPFEDSA-N 1 1 285.391 3.351 20 30 CGEDMO N#Cc1ccccc1OCC[N@H+]1CCCc2sccc2C1 ZINC000609322605 348342094 /nfs/dbraw/zinc/34/20/94/348342094.db2.gz FXMBRPUBNXGXCD-UHFFFAOYSA-N 1 1 298.411 3.447 20 30 CGEDMO CC(C)(C)[N@H+]1CCCN(c2ccc(C#N)cc2F)CC1 ZINC000609560691 348346604 /nfs/dbraw/zinc/34/66/04/348346604.db2.gz QNROTEIDMUUABT-UHFFFAOYSA-N 1 1 275.371 3.008 20 30 CGEDMO N#CCSCCC[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000610412570 348382410 /nfs/dbraw/zinc/38/24/10/348382410.db2.gz SBQJLKYBXZADBV-HNNXBMFYSA-N 1 1 276.405 3.176 20 30 CGEDMO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610993709 348416097 /nfs/dbraw/zinc/41/60/97/348416097.db2.gz DCYRHAIXATZSDE-CRAIPNDOSA-N 1 1 291.398 3.406 20 30 CGEDMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1ccnc(C#N)c1 ZINC000610993444 348416420 /nfs/dbraw/zinc/41/64/20/348416420.db2.gz SOFMUTBGJUSVAE-YOEHRIQHSA-N 1 1 277.371 3.331 20 30 CGEDMO CC[N@@H+](Cc1nccc2ccccc21)C[C@H](C)C#N ZINC000611261121 348432751 /nfs/dbraw/zinc/43/27/51/348432751.db2.gz WUHSJHUMYOXNQV-CYBMUJFWSA-N 1 1 253.349 3.216 20 30 CGEDMO CC[N@H+](Cc1nccc2ccccc21)C[C@H](C)C#N ZINC000611261121 348432754 /nfs/dbraw/zinc/43/27/54/348432754.db2.gz WUHSJHUMYOXNQV-CYBMUJFWSA-N 1 1 253.349 3.216 20 30 CGEDMO CC[N@H+]1CCN(Cc2ccccc2C(C)(C)C#N)C[C@H]1C ZINC000611091894 348422394 /nfs/dbraw/zinc/42/23/94/348422394.db2.gz BYXDUGABJSUJHL-OAHLLOKOSA-N 1 1 285.435 3.014 20 30 CGEDMO CCN1CC[N@H+](Cc2ccccc2C(C)(C)C#N)C[C@H]1C ZINC000611091894 348422396 /nfs/dbraw/zinc/42/23/96/348422396.db2.gz BYXDUGABJSUJHL-OAHLLOKOSA-N 1 1 285.435 3.014 20 30 CGEDMO CCN1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@H]1C ZINC000611091894 348422400 /nfs/dbraw/zinc/42/24/00/348422400.db2.gz BYXDUGABJSUJHL-OAHLLOKOSA-N 1 1 285.435 3.014 20 30 CGEDMO C[C@H](C#N)C[N@H+](CCOC1CCCCCC1)C1CC1 ZINC000611091606 348422538 /nfs/dbraw/zinc/42/25/38/348422538.db2.gz FFORYETVYZVERX-CQSZACIVSA-N 1 1 264.413 3.350 20 30 CGEDMO C[C@H](C#N)C[N@@H+](CCOC1CCCCCC1)C1CC1 ZINC000611091606 348422544 /nfs/dbraw/zinc/42/25/44/348422544.db2.gz FFORYETVYZVERX-CQSZACIVSA-N 1 1 264.413 3.350 20 30 CGEDMO CC(C)(C)C1=CC[N@@H+](Cc2ccnc(C#N)c2)CC1 ZINC000611152466 348425683 /nfs/dbraw/zinc/42/56/83/348425683.db2.gz UEAYZMCQRYPFMG-UHFFFAOYSA-N 1 1 255.365 3.131 20 30 CGEDMO COC(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)o1 ZINC000611387265 348443863 /nfs/dbraw/zinc/44/38/63/348443863.db2.gz IVXQVFICGWGTSZ-VXGBXAGGSA-N 1 1 298.342 3.350 20 30 CGEDMO Cc1cc(C[C@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)n[nH]1 ZINC000611394589 348446328 /nfs/dbraw/zinc/44/63/28/348446328.db2.gz RSWCQJFWJUWBSH-SGTLLEGYSA-N 1 1 294.402 3.188 20 30 CGEDMO COc1cc(C#N)ccc1C[NH2+][C@@H](C)c1c(C)noc1C ZINC000612461446 348521189 /nfs/dbraw/zinc/52/11/89/348521189.db2.gz BTUAOZGJRSBYIG-JTQLQIEISA-N 1 1 285.347 3.023 20 30 CGEDMO C[C@H]1C[C@H](Nc2nc(C(C)(C)C)ccc2C#N)CC[N@H+]1C ZINC000613426129 348600399 /nfs/dbraw/zinc/60/03/99/348600399.db2.gz SHTFQUUQZYYMKG-GXTWGEPZSA-N 1 1 286.423 3.145 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000613460606 348607167 /nfs/dbraw/zinc/60/71/67/348607167.db2.gz DCEGMSIXNGAYGZ-INIZCTEOSA-N 1 1 290.370 3.282 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@@H+](CCCCO)C2CC2)cc1 ZINC000614168060 348654170 /nfs/dbraw/zinc/65/41/70/348654170.db2.gz NLRATHZNRPJZQJ-UHFFFAOYSA-N 1 1 286.419 3.225 20 30 CGEDMO CO[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000615231179 348725343 /nfs/dbraw/zinc/72/53/43/348725343.db2.gz BVRIHRHYFJXMHE-AWEZNQCLSA-N 1 1 278.783 3.213 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[NH+]1CC2(C1)CC(F)(F)C2 ZINC000615444866 348740311 /nfs/dbraw/zinc/74/03/11/348740311.db2.gz HRAGTIJODWFTOZ-NSHDSACASA-N 1 1 262.303 3.350 20 30 CGEDMO CC[C@]1(C)C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000615449943 348740468 /nfs/dbraw/zinc/74/04/68/348740468.db2.gz NWOQHGZARUYJHT-GOSISDBHSA-N 1 1 286.419 3.489 20 30 CGEDMO CC[C@@]1(C)C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000615449944 348740549 /nfs/dbraw/zinc/74/05/49/348740549.db2.gz NWOQHGZARUYJHT-SFHVURJKSA-N 1 1 286.419 3.489 20 30 CGEDMO Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000616773497 348877966 /nfs/dbraw/zinc/87/79/66/348877966.db2.gz XZLCCIKYRKPDDD-GOSISDBHSA-N 1 1 294.402 3.306 20 30 CGEDMO C[C@H]1C[N@H+](Cc2ccc(C#N)cn2)[C@H]1c1ccccc1 ZINC000618904947 349177918 /nfs/dbraw/zinc/17/79/18/349177918.db2.gz NSMYYVQCJMQTPH-SUMWQHHRSA-N 1 1 263.344 3.146 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cn2)[C@H]1c1ccccc1 ZINC000618904947 349177921 /nfs/dbraw/zinc/17/79/21/349177921.db2.gz NSMYYVQCJMQTPH-SUMWQHHRSA-N 1 1 263.344 3.146 20 30 CGEDMO CC[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccn(C)n1 ZINC000619754965 349281664 /nfs/dbraw/zinc/28/16/64/349281664.db2.gz PPQSWWZBTBUAGU-CQSZACIVSA-N 1 1 288.782 3.186 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](C[C@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000625701280 350198282 /nfs/dbraw/zinc/19/82/82/350198282.db2.gz IHIZFWVVLQTKMB-DLBZAZTESA-N 1 1 298.430 3.047 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cncc(Br)c2)C1 ZINC000625700524 350198331 /nfs/dbraw/zinc/19/83/31/350198331.db2.gz JTKRMUCKNHVUOW-NSHDSACASA-N 1 1 281.197 3.242 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](CC(=O)NC2(c3ccccc3)CCC2)C1 ZINC000625702332 350199395 /nfs/dbraw/zinc/19/93/95/350199395.db2.gz XLUNOCDLTNDDIH-INIZCTEOSA-N 1 1 298.430 3.080 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cn3cc(C)ccc3n2)C1 ZINC000625703235 350199722 /nfs/dbraw/zinc/19/97/22/350199722.db2.gz MJKIUGJTESJOTJ-CQSZACIVSA-N 1 1 255.365 3.041 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CC/C=C\c2cncc(OC)c2)C1 ZINC000625702653 350199859 /nfs/dbraw/zinc/19/98/59/350199859.db2.gz OEQLHVCHEMQMEK-IJVDHGTGSA-N 1 1 272.392 3.392 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000625535958 350182341 /nfs/dbraw/zinc/18/23/41/350182341.db2.gz YAUITCWTTZPRMC-WBVHZDCISA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2cnc3ccccc3n2)C1 ZINC000625703792 350200171 /nfs/dbraw/zinc/20/01/71/350200171.db2.gz SSBLFLHEYUYHKE-ZDUSSCGKSA-N 1 1 253.349 3.028 20 30 CGEDMO C=CCC[N@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625800546 350215732 /nfs/dbraw/zinc/21/57/32/350215732.db2.gz KHIZRATYQUTALW-KRWDZBQOSA-N 1 1 271.360 3.063 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CCC[C@H](C/C=C/C)C2)nn1 ZINC000626165002 350277198 /nfs/dbraw/zinc/27/71/98/350277198.db2.gz YHPSVFFMVKYGMZ-UJAVWCLSSA-N 1 1 274.412 3.032 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000628404963 350528163 /nfs/dbraw/zinc/52/81/63/350528163.db2.gz AEGRMEWFOKVSJC-GXTWGEPZSA-N 1 1 278.421 3.393 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccccc2NC(C)=O)C1 ZINC000628405275 350528345 /nfs/dbraw/zinc/52/83/45/350528345.db2.gz HZLDEIKKVGJCHP-CQSZACIVSA-N 1 1 258.365 3.043 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCO[C@@H](C(F)F)CC2)c1 ZINC000634735688 351581616 /nfs/dbraw/zinc/58/16/16/351581616.db2.gz NNASKACQEVIPOF-OAHLLOKOSA-N 1 1 297.345 3.107 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)CCC1(F)F ZINC000291499261 198037876 /nfs/dbraw/zinc/03/78/76/198037876.db2.gz HHXUQTWCVZXMFV-SECBINFHSA-N 1 1 256.321 3.097 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)CCC1(F)F ZINC000291499261 198037878 /nfs/dbraw/zinc/03/78/78/198037878.db2.gz HHXUQTWCVZXMFV-SECBINFHSA-N 1 1 256.321 3.097 20 30 CGEDMO CC(C)[C@@H]1[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CC12CCC2 ZINC000291932751 198109726 /nfs/dbraw/zinc/10/97/26/198109726.db2.gz OPGCTOZEVUAEQD-SJORKVTESA-N 1 1 284.403 3.102 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000271462060 191151895 /nfs/dbraw/zinc/15/18/95/191151895.db2.gz HQVIOYAXVRNXMR-JTQLQIEISA-N 1 1 254.717 3.306 20 30 CGEDMO COCC[C@@H]1CCCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000364248870 234028078 /nfs/dbraw/zinc/02/80/78/234028078.db2.gz BKDXXALVWGXQTN-ZDUSSCGKSA-N 1 1 278.421 3.258 20 30 CGEDMO C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3c[nH]nc32)cc1 ZINC000271556195 191211227 /nfs/dbraw/zinc/21/12/27/191211227.db2.gz VTRFYSLTUWPIKX-CXAGYDPISA-N 1 1 295.386 3.150 20 30 CGEDMO COCC(C)(C)[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000292105155 198165621 /nfs/dbraw/zinc/16/56/21/198165621.db2.gz IJSOPPUQXSIJLG-UHFFFAOYSA-N 1 1 266.772 3.068 20 30 CGEDMO Cc1nc(N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1C#N ZINC000292089015 198159225 /nfs/dbraw/zinc/15/92/25/198159225.db2.gz YNEUTGASFGFVBV-GOEBONIOSA-N 1 1 298.434 3.327 20 30 CGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(C2CC2)CC1 ZINC000368326748 234300105 /nfs/dbraw/zinc/30/01/05/234300105.db2.gz DLGBIYYNHAJZAB-CYBMUJFWSA-N 1 1 297.402 3.007 20 30 CGEDMO CSC[C@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000292407915 198278027 /nfs/dbraw/zinc/27/80/27/198278027.db2.gz LWJXWXWSNTUISQ-AWEZNQCLSA-N 1 1 299.443 3.386 20 30 CGEDMO CC#CCC[N@H+](C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000155095493 188182510 /nfs/dbraw/zinc/18/25/10/188182510.db2.gz ADNVURDMWQYNKB-UHFFFAOYSA-N 1 1 283.318 3.142 20 30 CGEDMO C#CC[C@@H]([NH2+]Cc1ccc(C(=O)OCC)o1)c1ccccc1 ZINC000271739470 191300194 /nfs/dbraw/zinc/30/01/94/191300194.db2.gz UYIPHXRZPNAQPP-MRXNPFEDSA-N 1 1 297.354 3.311 20 30 CGEDMO N#CC1(C[NH+]2CCC(F)(c3ccccc3)CC2)CC1 ZINC000336149517 283045717 /nfs/dbraw/zinc/04/57/17/283045717.db2.gz HZOIEUBFRSBKOI-UHFFFAOYSA-N 1 1 258.340 3.251 20 30 CGEDMO C[C@H]1CC(C)(C)C[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000412031793 235107324 /nfs/dbraw/zinc/10/73/24/235107324.db2.gz BDFSTSQLEKVBDJ-ZDUSSCGKSA-N 1 1 285.391 3.007 20 30 CGEDMO N#Cc1cccc(C2([NH2+]Cc3cnc(Cl)s3)CC2)c1 ZINC000271792469 191330978 /nfs/dbraw/zinc/33/09/78/191330978.db2.gz NORMMXBVZAASDF-UHFFFAOYSA-N 1 1 289.791 3.447 20 30 CGEDMO Cc1cccnc1C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000271863289 191375313 /nfs/dbraw/zinc/37/53/13/191375313.db2.gz ZTUKMMHKLNTSHA-UHFFFAOYSA-N 1 1 263.344 3.041 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)s1 ZINC000186432029 283142663 /nfs/dbraw/zinc/14/26/63/283142663.db2.gz GLDSBCHKQAIVLC-KRWDZBQOSA-N 1 1 296.395 3.251 20 30 CGEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2NCC[C@H]1CCC[NH2+]1 ZINC000423361249 283191836 /nfs/dbraw/zinc/19/18/36/283191836.db2.gz RJNCXSGSIBXYCY-AEFFLSMTSA-N 1 1 283.419 3.057 20 30 CGEDMO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1COc3ccc(F)cc31)CC2 ZINC000353648348 283199458 /nfs/dbraw/zinc/19/94/58/283199458.db2.gz YTVMQMDWUDGLCP-SJORKVTESA-N 1 1 294.329 3.408 20 30 CGEDMO C[N@@H+](CCc1cccs1)Cc1cc(C#N)cs1 ZINC000093685590 138348594 /nfs/dbraw/zinc/34/85/94/138348594.db2.gz JTDQWHBLVNRJPP-UHFFFAOYSA-N 1 1 262.403 3.356 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000124926271 138378789 /nfs/dbraw/zinc/37/87/89/138378789.db2.gz ZGNQQGJWCJQSLK-KSZLIROESA-N 1 1 284.403 3.074 20 30 CGEDMO N#Cc1c(F)cccc1C[NH2+][C@H](c1cccnc1)C1CC1 ZINC000428342302 236396197 /nfs/dbraw/zinc/39/61/97/236396197.db2.gz ADABSMHMVGRVTJ-KRWDZBQOSA-N 1 1 281.334 3.333 20 30 CGEDMO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000336265739 213102963 /nfs/dbraw/zinc/10/29/63/213102963.db2.gz NYLPNVRBBWATNS-OAHLLOKOSA-N 1 1 295.361 3.472 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000336265739 213102965 /nfs/dbraw/zinc/10/29/65/213102965.db2.gz NYLPNVRBBWATNS-OAHLLOKOSA-N 1 1 295.361 3.472 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)C1CC(OC(C)(C)C)C1 ZINC000341666984 216056443 /nfs/dbraw/zinc/05/64/43/216056443.db2.gz QUSXUXWCVWWWAI-UHFFFAOYSA-N 1 1 272.392 3.336 20 30 CGEDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(C#N)ccc2F)C12CCC2 ZINC000451835462 240368809 /nfs/dbraw/zinc/36/88/09/240368809.db2.gz OMAQOKWZWXYLTC-CVEARBPZSA-N 1 1 288.366 3.087 20 30 CGEDMO C[C@H]1SCC[N@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC000118416510 291261061 /nfs/dbraw/zinc/26/10/61/291261061.db2.gz GXOYMYDULONSIA-GHMZBOCLSA-N 1 1 264.369 3.023 20 30 CGEDMO C[C@H]1SCC[N@@H+](Cc2ccc(C#N)cc2F)[C@@H]1C ZINC000118416510 291261063 /nfs/dbraw/zinc/26/10/63/291261063.db2.gz GXOYMYDULONSIA-GHMZBOCLSA-N 1 1 264.369 3.023 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCNc2c(Cl)cccc2C#N)C1 ZINC000301508361 201038008 /nfs/dbraw/zinc/03/80/08/201038008.db2.gz HRUZCBMCRFIGKX-GFCCVEGCSA-N 1 1 277.799 3.355 20 30 CGEDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)Nc1ccc(Cl)c(C#N)n1 ZINC000301518186 201041407 /nfs/dbraw/zinc/04/14/07/201041407.db2.gz KKAYHRZTGZWOLD-VXGBXAGGSA-N 1 1 292.814 3.139 20 30 CGEDMO CC(C)C[N@H+]1CC[C@@H](CNc2ccc(F)cc2C#N)C1 ZINC000301614077 201097139 /nfs/dbraw/zinc/09/71/39/201097139.db2.gz UHOLINPWAKQQPH-ZDUSSCGKSA-N 1 1 275.371 3.087 20 30 CGEDMO Cc1nc(N[C@@H](C)c2ccc(C#N)cc2)c(C)c(C)[nH+]1 ZINC000301685628 201136933 /nfs/dbraw/zinc/13/69/33/201136933.db2.gz LKMYVFLIDNKCIS-LBPRGKRZSA-N 1 1 266.348 3.447 20 30 CGEDMO C[N@H+]1CC[C@@H](Nc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000301820652 201216866 /nfs/dbraw/zinc/21/68/66/201216866.db2.gz BBISFXAHTMAFSL-QZTJIDSGSA-N 1 1 277.371 3.416 20 30 CGEDMO CC[N@@H+](Cc1c[nH]nc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000119882843 370718980 /nfs/dbraw/zinc/71/89/80/370718980.db2.gz VDEATTUBSRJDCX-ZDUSSCGKSA-N 1 1 268.364 3.173 20 30 CGEDMO CC(C)C[C@H](C)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000451036974 240196624 /nfs/dbraw/zinc/19/66/24/240196624.db2.gz HGNBGNNFXNQPLU-HNNXBMFYSA-N 1 1 274.408 3.441 20 30 CGEDMO CO[C@H]1C[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C12CCC2 ZINC000451850364 240369979 /nfs/dbraw/zinc/36/99/79/240369979.db2.gz LQGGQLBHZFQFTR-HOTGVXAUSA-N 1 1 288.366 3.087 20 30 CGEDMO CO[C@H]1C[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C12CCC2 ZINC000451850364 240369982 /nfs/dbraw/zinc/36/99/82/240369982.db2.gz LQGGQLBHZFQFTR-HOTGVXAUSA-N 1 1 288.366 3.087 20 30 CGEDMO CO[C@H]1C[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C12CCC2 ZINC000451850363 240370478 /nfs/dbraw/zinc/37/04/78/240370478.db2.gz LQGGQLBHZFQFTR-CVEARBPZSA-N 1 1 288.366 3.087 20 30 CGEDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C12CCC2 ZINC000451850363 240370481 /nfs/dbraw/zinc/37/04/81/240370481.db2.gz LQGGQLBHZFQFTR-CVEARBPZSA-N 1 1 288.366 3.087 20 30 CGEDMO C[C@@H]1CCC(C)(C)[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000452000093 240390195 /nfs/dbraw/zinc/39/01/95/240390195.db2.gz BQAFWAILOFBLDW-GFCCVEGCSA-N 1 1 296.374 3.371 20 30 CGEDMO C[C@@H]([NH2+]Cc1cnc(C2CC2)o1)c1cccc(C#N)c1 ZINC000453335326 240854742 /nfs/dbraw/zinc/85/47/42/240854742.db2.gz ABSYGXIFWSHTOP-LLVKDONJSA-N 1 1 267.332 3.274 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1nc2c(s1)CCC2 ZINC000459641120 242160890 /nfs/dbraw/zinc/16/08/90/242160890.db2.gz AMUJUZXEWUIRLU-VIFPVBQESA-N 1 1 289.429 3.416 20 30 CGEDMO C=CC[N@@H+](C)CCc1cc(Cl)c2c(c1)OCCCO2 ZINC000121590684 370877220 /nfs/dbraw/zinc/87/72/20/370877220.db2.gz GTTCTWQWSWEDLG-UHFFFAOYSA-N 1 1 281.783 3.162 20 30 CGEDMO C=CCc1cc(C[N@H+]2CCC[C@H]2C)cc(OC)c1O ZINC000124323951 370922668 /nfs/dbraw/zinc/92/26/68/370922668.db2.gz OSRGDPHGXFGNLF-GFCCVEGCSA-N 1 1 261.365 3.114 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@@H](COC)C2)c1 ZINC000124729515 370927640 /nfs/dbraw/zinc/92/76/40/370927640.db2.gz WMHBIOUWMXAVSE-MRXNPFEDSA-N 1 1 275.392 3.110 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1ccccc1C ZINC000126076562 370943033 /nfs/dbraw/zinc/94/30/33/370943033.db2.gz KASWHXVEGYWOMS-INIZCTEOSA-N 1 1 286.419 3.016 20 30 CGEDMO C[N@H+](CC(=O)Nc1cccc(C#N)c1)CC1CCCCC1 ZINC000029455009 368895558 /nfs/dbraw/zinc/89/55/58/368895558.db2.gz NTIYBHOVCFYZSG-UHFFFAOYSA-N 1 1 285.391 3.009 20 30 CGEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000034674273 368976829 /nfs/dbraw/zinc/97/68/29/368976829.db2.gz LOKQJWZYWBFJSU-OKILXGFUSA-N 1 1 258.365 3.200 20 30 CGEDMO CCC[C@@H](C)[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000036790559 369028867 /nfs/dbraw/zinc/02/88/67/369028867.db2.gz CYKPOIHNKCEYHK-CQSZACIVSA-N 1 1 260.381 3.448 20 30 CGEDMO C[C@@H](C[NH+]1CCCCC1)N[C@@H](C)c1ccc(C#N)cc1 ZINC000037153942 369068997 /nfs/dbraw/zinc/06/89/97/369068997.db2.gz NZBBEQCPJSEHMQ-GJZGRUSLSA-N 1 1 271.408 3.083 20 30 CGEDMO CC(C)[C@@H](C[NH2+][C@H](C)c1cccc(C#N)c1)N1CCCC1 ZINC000037240605 369078802 /nfs/dbraw/zinc/07/88/02/369078802.db2.gz LMPNLHUYNHGZSR-CRAIPNDOSA-N 1 1 285.435 3.329 20 30 CGEDMO Cc1ccc([C@H](C)[NH2+]Cc2cc(C#N)ccc2F)o1 ZINC000037980186 369131297 /nfs/dbraw/zinc/13/12/97/369131297.db2.gz QNSFZUKOUYVJPF-NSHDSACASA-N 1 1 258.296 3.450 20 30 CGEDMO CC[N@@H+](Cc1cccc2cccnc21)C[C@@H](C)C#N ZINC000042287679 369210609 /nfs/dbraw/zinc/21/06/09/369210609.db2.gz COYYVURISZZUTM-ZDUSSCGKSA-N 1 1 253.349 3.216 20 30 CGEDMO CC[N@H+](Cc1cccc2cccnc21)C[C@@H](C)C#N ZINC000042287679 369210613 /nfs/dbraw/zinc/21/06/13/369210613.db2.gz COYYVURISZZUTM-ZDUSSCGKSA-N 1 1 253.349 3.216 20 30 CGEDMO CC(C)C[N@@H+](CCOc1cccc(C#N)c1)C1CC1 ZINC000042250053 369207069 /nfs/dbraw/zinc/20/70/69/369207069.db2.gz BGEUAPLQVAKQRM-UHFFFAOYSA-N 1 1 258.365 3.057 20 30 CGEDMO CCC(CC)[N@@H+](CCOC)CCOc1ccccc1C#N ZINC000042616427 369226689 /nfs/dbraw/zinc/22/66/89/369226689.db2.gz HASGSFPBPXMECR-UHFFFAOYSA-N 1 1 290.407 3.074 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)[C@@H]1C ZINC000050564754 369441278 /nfs/dbraw/zinc/44/12/78/369441278.db2.gz KILXHVRCOWBOPJ-ZIAGYGMSSA-N 1 1 285.391 3.007 20 30 CGEDMO CCC[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000127524557 370952493 /nfs/dbraw/zinc/95/24/93/370952493.db2.gz HGAFUCSESRAMMM-UHFFFAOYSA-N 1 1 282.391 3.306 20 30 CGEDMO C#CC[N@H+](Cc1cncs1)[C@H]1CCc2ccccc21 ZINC000127541179 370952737 /nfs/dbraw/zinc/95/27/37/370952737.db2.gz SLNNDSRLROYZER-INIZCTEOSA-N 1 1 268.385 3.266 20 30 CGEDMO C#CC[N@@H+](Cc1cncs1)[C@H]1CCc2ccccc21 ZINC000127541179 370952744 /nfs/dbraw/zinc/95/27/44/370952744.db2.gz SLNNDSRLROYZER-INIZCTEOSA-N 1 1 268.385 3.266 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000127812783 370956052 /nfs/dbraw/zinc/95/60/52/370956052.db2.gz LAQFKNZISRFKKK-LBPRGKRZSA-N 1 1 271.763 3.238 20 30 CGEDMO C[N@H+]1CCC[C@@H]2CN(c3ccc(C#N)c(Cl)c3)CC[C@@H]21 ZINC000129091878 370974112 /nfs/dbraw/zinc/97/41/12/370974112.db2.gz GPIBVLDORYSOLE-CJNGLKHVSA-N 1 1 289.810 3.132 20 30 CGEDMO C=C(Br)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000128661620 370965652 /nfs/dbraw/zinc/96/56/52/370965652.db2.gz CVXSUQZGKTUBRX-VIFPVBQESA-N 1 1 285.141 3.154 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000054182020 369497274 /nfs/dbraw/zinc/49/72/74/369497274.db2.gz TYCPASKSMJEKCE-LLVKDONJSA-N 1 1 272.270 3.367 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000129400998 370986043 /nfs/dbraw/zinc/98/60/43/370986043.db2.gz JWBPSHFTMFGTTI-MSOLQXFVSA-N 1 1 288.435 3.217 20 30 CGEDMO C#CCCC[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000276233442 193251597 /nfs/dbraw/zinc/25/15/97/193251597.db2.gz NNNSHZFGEKUNOW-DZFIZOCASA-N 1 1 284.447 3.146 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)Nc1c(C)cc(C)cc1Cl ZINC000276399710 193316271 /nfs/dbraw/zinc/31/62/71/193316271.db2.gz KKRXVBVOIVLKMT-UHFFFAOYSA-N 1 1 280.799 3.403 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1ccc(CC)cc1 ZINC000072553321 369824054 /nfs/dbraw/zinc/82/40/54/369824054.db2.gz KNMFHYJHZWOMBD-UHFFFAOYSA-N 1 1 260.381 3.086 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1ccc(CC)cc1 ZINC000072553321 369824063 /nfs/dbraw/zinc/82/40/63/369824063.db2.gz KNMFHYJHZWOMBD-UHFFFAOYSA-N 1 1 260.381 3.086 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)CCc1ccc([N+](=O)[O-])cc1 ZINC000072692309 369834770 /nfs/dbraw/zinc/83/47/70/369834770.db2.gz FWVWNGMKOMWVSJ-UHFFFAOYSA-N 1 1 289.379 3.399 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)CCc1ccc([N+](=O)[O-])cc1 ZINC000072692309 369834772 /nfs/dbraw/zinc/83/47/72/369834772.db2.gz FWVWNGMKOMWVSJ-UHFFFAOYSA-N 1 1 289.379 3.399 20 30 CGEDMO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCCCC#N)C1 ZINC000072965333 369846930 /nfs/dbraw/zinc/84/69/30/369846930.db2.gz LLFAZAREBGTOGV-DLBZAZTESA-N 1 1 277.456 3.267 20 30 CGEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCCCC#N)C1 ZINC000072965333 369846933 /nfs/dbraw/zinc/84/69/33/369846933.db2.gz LLFAZAREBGTOGV-DLBZAZTESA-N 1 1 277.456 3.267 20 30 CGEDMO CC[N@@H+](CCCCOC)[C@H](C)c1ccc(C#N)cc1 ZINC000074350262 369876589 /nfs/dbraw/zinc/87/65/89/369876589.db2.gz YWLVHHPWYUPKGB-CQSZACIVSA-N 1 1 260.381 3.368 20 30 CGEDMO C=CCCC[N@H+](C)Cc1nnc(-c2ccc(C)cc2)o1 ZINC000076734350 369941550 /nfs/dbraw/zinc/94/15/50/369941550.db2.gz IIVWUJPNABFFGU-UHFFFAOYSA-N 1 1 271.364 3.443 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)[C@@H]1C ZINC000091860130 370076137 /nfs/dbraw/zinc/07/61/37/370076137.db2.gz XBEWYHGPYWEFSQ-HUUCEWRRSA-N 1 1 271.408 3.267 20 30 CGEDMO CC[N@@H+](Cc1c[nH]nc1-c1ccccc1)C[C@@H](C)C#N ZINC000091982831 370083743 /nfs/dbraw/zinc/08/37/43/370083743.db2.gz GWJSFRAKBJGMAT-ZDUSSCGKSA-N 1 1 268.364 3.058 20 30 CGEDMO CC[N@H+](Cc1c[nH]nc1-c1ccccc1)C[C@@H](C)C#N ZINC000091982831 370083746 /nfs/dbraw/zinc/08/37/46/370083746.db2.gz GWJSFRAKBJGMAT-ZDUSSCGKSA-N 1 1 268.364 3.058 20 30 CGEDMO C[C@@H](c1ccncc1)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000091989753 370085697 /nfs/dbraw/zinc/08/56/97/370085697.db2.gz GDRAETIKKSVUAQ-AWEZNQCLSA-N 1 1 268.335 3.265 20 30 CGEDMO C[C@@H](c1ccncc1)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000091989753 370085702 /nfs/dbraw/zinc/08/57/02/370085702.db2.gz GDRAETIKKSVUAQ-AWEZNQCLSA-N 1 1 268.335 3.265 20 30 CGEDMO C=CC[N@@H+](Cc1cnn(CC)c1)Cc1ccccc1 ZINC000092261435 370095280 /nfs/dbraw/zinc/09/52/80/370095280.db2.gz ZGGZLBZKVVDRMR-UHFFFAOYSA-N 1 1 255.365 3.091 20 30 CGEDMO C=CC[N@H+](Cc1cnn(CC)c1)Cc1ccccc1 ZINC000092261435 370095284 /nfs/dbraw/zinc/09/52/84/370095284.db2.gz ZGGZLBZKVVDRMR-UHFFFAOYSA-N 1 1 255.365 3.091 20 30 CGEDMO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1ccc(C#N)o1 ZINC000093315584 370116602 /nfs/dbraw/zinc/11/66/02/370116602.db2.gz OIBIGOPXUFETFO-LLVKDONJSA-N 1 1 256.305 3.050 20 30 CGEDMO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000093315584 370116605 /nfs/dbraw/zinc/11/66/05/370116605.db2.gz OIBIGOPXUFETFO-LLVKDONJSA-N 1 1 256.305 3.050 20 30 CGEDMO CO[C@]1(C)C[C@H]([N@@H+](C)CC(C)(C)CCC#N)C1(C)C ZINC000093871950 370165421 /nfs/dbraw/zinc/16/54/21/370165421.db2.gz IIIUWHACWXMBLQ-XJKSGUPXSA-N 1 1 266.429 3.452 20 30 CGEDMO C=C(Cl)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000096971051 370214031 /nfs/dbraw/zinc/21/40/31/370214031.db2.gz JOIYXWQQMUQJIG-AWEZNQCLSA-N 1 1 281.783 3.126 20 30 CGEDMO C=C(Cl)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000096971051 370214034 /nfs/dbraw/zinc/21/40/34/370214034.db2.gz JOIYXWQQMUQJIG-AWEZNQCLSA-N 1 1 281.783 3.126 20 30 CGEDMO CC[N@@H+](CCC(=O)Nc1sccc1C#N)[C@@H](C)C(C)C ZINC000109025633 370360234 /nfs/dbraw/zinc/36/02/34/370360234.db2.gz RMHWBHPCRMEQNU-LBPRGKRZSA-N 1 1 293.436 3.315 20 30 CGEDMO CCC[N@H+](Cc1cc(C#N)ccc1OC)CC1CC1 ZINC000130424295 371033524 /nfs/dbraw/zinc/03/35/24/371033524.db2.gz UXTZIMLJZCKQRL-UHFFFAOYSA-N 1 1 258.365 3.189 20 30 CGEDMO C=C(Br)C[N@@H+]1CCCC[C@H](SC)C1 ZINC000134583279 371352235 /nfs/dbraw/zinc/35/22/35/371352235.db2.gz HSUBKSMDOARYRT-JTQLQIEISA-N 1 1 264.232 3.113 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000135284962 371410434 /nfs/dbraw/zinc/41/04/34/371410434.db2.gz PARWSXYZZSLXFH-SFHVURJKSA-N 1 1 284.403 3.100 20 30 CGEDMO C[N@@H+](CCCNCc1ccc(C#N)s1)Cc1ccccc1 ZINC000135672838 371443019 /nfs/dbraw/zinc/44/30/19/371443019.db2.gz AIDWPJZUILDCFV-UHFFFAOYSA-N 1 1 299.443 3.231 20 30 CGEDMO CC[C@H](CC#N)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289068344 371751108 /nfs/dbraw/zinc/75/11/08/371751108.db2.gz AYJPASYWPSDETR-CGTJXYLNSA-N 1 1 285.435 3.179 20 30 CGEDMO C=C(Br)C[NH+]1CCC(C2CCOCC2)CC1 ZINC000153357435 371763885 /nfs/dbraw/zinc/76/38/85/371763885.db2.gz LYGLRLIVTUSIQV-UHFFFAOYSA-N 1 1 288.229 3.034 20 30 CGEDMO CC[N@@H+](Cc1cc(C#N)ccc1F)[C@H]1CCOC(C)(C)C1 ZINC000289813739 371830092 /nfs/dbraw/zinc/83/00/92/371830092.db2.gz NQIZDWYRKFNEDV-HNNXBMFYSA-N 1 1 290.382 3.477 20 30 CGEDMO CCC(CC)[N@@H+](CC)CCC(=O)Nc1sccc1C#N ZINC000344039152 217023384 /nfs/dbraw/zinc/02/33/84/217023384.db2.gz UFXVDKWCQLHRMK-UHFFFAOYSA-N 1 1 293.436 3.459 20 30 CGEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)CC(C)(C)C1 ZINC000344040584 217024049 /nfs/dbraw/zinc/02/40/49/217024049.db2.gz VNNZUXMJBHCJQT-CQSZACIVSA-N 1 1 299.418 3.255 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(OCCCC)c(OC)c1 ZINC000154794821 371878355 /nfs/dbraw/zinc/87/83/55/371878355.db2.gz PHXXVGPFYATBFM-UHFFFAOYSA-N 1 1 263.381 3.492 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)C[C@H]1CC=CCC1 ZINC000344076924 217039469 /nfs/dbraw/zinc/03/94/69/217039469.db2.gz WFWLTLZQWAWCHG-HNNXBMFYSA-N 1 1 297.402 3.175 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC000155132824 371907995 /nfs/dbraw/zinc/90/79/95/371907995.db2.gz RIGGHIRLVDHRIN-AWEZNQCLSA-N 1 1 290.407 3.310 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](C3CC3)C2)cc1F ZINC000344114137 217057232 /nfs/dbraw/zinc/05/72/32/217057232.db2.gz SHDHAXNBJQGHSE-OAHLLOKOSA-N 1 1 258.340 3.319 20 30 CGEDMO CC[N@H+](Cc1n[nH]cc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000290449692 371992069 /nfs/dbraw/zinc/99/20/69/371992069.db2.gz OLVKDSFRYWLVOC-ZDUSSCGKSA-N 1 1 268.364 3.173 20 30 CGEDMO CC[N@@H+](Cc1n[nH]cc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000290449692 371992075 /nfs/dbraw/zinc/99/20/75/371992075.db2.gz OLVKDSFRYWLVOC-ZDUSSCGKSA-N 1 1 268.364 3.173 20 30 CGEDMO CC[N@H+](Cc1[nH]ncc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000290449692 371992082 /nfs/dbraw/zinc/99/20/82/371992082.db2.gz OLVKDSFRYWLVOC-ZDUSSCGKSA-N 1 1 268.364 3.173 20 30 CGEDMO CC[N@@H+](Cc1[nH]ncc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000290449692 371992089 /nfs/dbraw/zinc/99/20/89/371992089.db2.gz OLVKDSFRYWLVOC-ZDUSSCGKSA-N 1 1 268.364 3.173 20 30 CGEDMO C[C@H](C1CC1)[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000158085394 372052534 /nfs/dbraw/zinc/05/25/34/372052534.db2.gz DTJYZJMDJRCQOA-CQSZACIVSA-N 1 1 271.408 3.267 20 30 CGEDMO C=CCCC(=O)Nc1nc2c(s1)C[N@@H+](C(C)(C)C)CC2 ZINC000425075975 372108516 /nfs/dbraw/zinc/10/85/16/372108516.db2.gz FJRWKBBMILCJRO-UHFFFAOYSA-N 1 1 293.436 3.204 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](CCO)Cc2ccccc2)cc1 ZINC000158288959 372062986 /nfs/dbraw/zinc/06/29/86/372062986.db2.gz AGLGAVWRBGSLIU-UHFFFAOYSA-N 1 1 297.398 3.246 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1c(CC)nn(C)c1Cl ZINC000158989840 372097485 /nfs/dbraw/zinc/09/74/85/372097485.db2.gz GYZORSWRGCPTOP-UHFFFAOYSA-N 1 1 255.793 3.034 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1c(CC)nn(C)c1Cl ZINC000158989840 372097490 /nfs/dbraw/zinc/09/74/90/372097490.db2.gz GYZORSWRGCPTOP-UHFFFAOYSA-N 1 1 255.793 3.034 20 30 CGEDMO N#Cc1ccc(CNc2cc[nH+]cc2Br)cc1 ZINC000159002030 372098218 /nfs/dbraw/zinc/09/82/18/372098218.db2.gz JURYSKQPRDYKDP-UHFFFAOYSA-N 1 1 288.148 3.328 20 30 CGEDMO COCC[N@@H+](Cc1scnc1C)CC(C)(C)CCC#N ZINC000426569711 372165096 /nfs/dbraw/zinc/16/50/96/372165096.db2.gz CYXCZKJWMWQPRH-UHFFFAOYSA-N 1 1 295.452 3.230 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000291764744 372174546 /nfs/dbraw/zinc/17/45/46/372174546.db2.gz LJPRVNPNBCYINC-SFHVURJKSA-N 1 1 273.420 3.270 20 30 CGEDMO CCCc1nc(C)c(C[N@H+](C)Cc2cccc(C#N)c2)o1 ZINC000428455653 372208222 /nfs/dbraw/zinc/20/82/22/372208222.db2.gz JWODBDUSYHJMIL-UHFFFAOYSA-N 1 1 283.375 3.439 20 30 CGEDMO CCCc1nc(C)c(C[N@@H+](C)Cc2cccc(C#N)c2)o1 ZINC000428455653 372208232 /nfs/dbraw/zinc/20/82/32/372208232.db2.gz JWODBDUSYHJMIL-UHFFFAOYSA-N 1 1 283.375 3.439 20 30 CGEDMO CC(C)[C@@]1(CO)CCC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000292928980 372252763 /nfs/dbraw/zinc/25/27/63/372252763.db2.gz CIMQZIHGEURBPF-QAPCUYQASA-N 1 1 286.419 3.350 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](O)c1cc2ccccc2o1 ZINC000292981513 372267439 /nfs/dbraw/zinc/26/74/39/372267439.db2.gz FJFULAPAHHLACP-CQSZACIVSA-N 1 1 259.349 3.364 20 30 CGEDMO CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428938780 372285191 /nfs/dbraw/zinc/28/51/91/372285191.db2.gz BSEMAHOXWVMSKF-QGZVFWFLSA-N 1 1 290.382 3.070 20 30 CGEDMO C=CCOCC[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000293404128 372376760 /nfs/dbraw/zinc/37/67/60/372376760.db2.gz HSRXCOISPJGDRW-CQSZACIVSA-N 1 1 258.365 3.144 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)[C@H](C)c1cccc(F)c1 ZINC000429726244 372377289 /nfs/dbraw/zinc/37/72/89/372377289.db2.gz UPSIWCMSZBYNJH-CQSZACIVSA-N 1 1 264.388 3.326 20 30 CGEDMO C=CC[N@@H+](C)CCN(CC)[C@H](C)c1cccc(F)c1 ZINC000429726244 372377292 /nfs/dbraw/zinc/37/72/92/372377292.db2.gz UPSIWCMSZBYNJH-CQSZACIVSA-N 1 1 264.388 3.326 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)[C@H](C)c1cccc(F)c1 ZINC000429726244 372377296 /nfs/dbraw/zinc/37/72/96/372377296.db2.gz UPSIWCMSZBYNJH-CQSZACIVSA-N 1 1 264.388 3.326 20 30 CGEDMO CC[N@H+](Cc1ccc(C#N)cc1Cl)C[C@@H]1CCCO1 ZINC000162879054 372431810 /nfs/dbraw/zinc/43/18/10/372431810.db2.gz XVNKILMPIHJWDN-AWEZNQCLSA-N 1 1 278.783 3.213 20 30 CGEDMO C=CCOCC[N@@H+]1CCCn2c(cc3ccccc32)C1 ZINC000293654561 372438447 /nfs/dbraw/zinc/43/84/47/372438447.db2.gz SRABCVCUVAZUKM-UHFFFAOYSA-N 1 1 270.376 3.050 20 30 CGEDMO C=CCOCC[N@H+]1CCCn2c(cc3ccccc32)C1 ZINC000293654561 372438456 /nfs/dbraw/zinc/43/84/56/372438456.db2.gz SRABCVCUVAZUKM-UHFFFAOYSA-N 1 1 270.376 3.050 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000163370626 372463200 /nfs/dbraw/zinc/46/32/00/372463200.db2.gz NWDJKEXKLBDVFL-JTQLQIEISA-N 1 1 285.771 3.116 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433270417 372585304 /nfs/dbraw/zinc/58/53/04/372585304.db2.gz QRWNOVQDPFMDTP-LBPRGKRZSA-N 1 1 271.763 3.238 20 30 CGEDMO C[N@H+](CCSc1ccc(F)cc1)CC(C)(C)C#N ZINC000433316717 372589755 /nfs/dbraw/zinc/58/97/55/372589755.db2.gz BDSAKDQBADAYLG-UHFFFAOYSA-N 1 1 266.385 3.399 20 30 CGEDMO C[N@@H+](CCSc1ccc(F)cc1)CC(C)(C)C#N ZINC000433316717 372589762 /nfs/dbraw/zinc/58/97/62/372589762.db2.gz BDSAKDQBADAYLG-UHFFFAOYSA-N 1 1 266.385 3.399 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000168941872 372622855 /nfs/dbraw/zinc/62/28/55/372622855.db2.gz SYKZROLNAGKJPN-UHFFFAOYSA-N 1 1 256.271 3.345 20 30 CGEDMO CC(C)[N@@H+]1CCC[C@@H](CN[C@H]2CCc3ccc(C#N)cc32)C1 ZINC000353430341 220078825 /nfs/dbraw/zinc/07/88/25/220078825.db2.gz WIXQGEQWKACWAD-LPHOPBHVSA-N 1 1 297.446 3.256 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H](CN[C@H]2CCc3ccc(C#N)cc32)C1 ZINC000353430341 220078827 /nfs/dbraw/zinc/07/88/27/220078827.db2.gz WIXQGEQWKACWAD-LPHOPBHVSA-N 1 1 297.446 3.256 20 30 CGEDMO N#CC1CC[NH+](Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000437730873 372855108 /nfs/dbraw/zinc/85/51/08/372855108.db2.gz SNGPCXWCAWFBSG-UHFFFAOYSA-N 1 1 257.312 3.043 20 30 CGEDMO CO[C@H](C)C[N@@H+](CC#Cc1cccc(Cl)c1)C(C)C ZINC000438068323 372867447 /nfs/dbraw/zinc/86/74/47/372867447.db2.gz RKONGYZRPXMZRT-CQSZACIVSA-N 1 1 279.811 3.437 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCc3ncsc3C2)c1 ZINC000438366991 372944684 /nfs/dbraw/zinc/94/46/84/372944684.db2.gz UEABIZDJKDVPJL-UHFFFAOYSA-N 1 1 286.400 3.266 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCc3ncsc3C2)c1 ZINC000438366991 372944692 /nfs/dbraw/zinc/94/46/92/372944692.db2.gz UEABIZDJKDVPJL-UHFFFAOYSA-N 1 1 286.400 3.266 20 30 CGEDMO Clc1ccccc1C#CCN1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000441268620 373001594 /nfs/dbraw/zinc/00/15/94/373001594.db2.gz YHTZLGMFTDBMLG-OAHLLOKOSA-N 1 1 299.805 3.294 20 30 CGEDMO Clc1ccccc1C#CC[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000441268620 373001602 /nfs/dbraw/zinc/00/16/02/373001602.db2.gz YHTZLGMFTDBMLG-OAHLLOKOSA-N 1 1 299.805 3.294 20 30 CGEDMO Clc1ccccc1C#CC[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000441268620 373001610 /nfs/dbraw/zinc/00/16/10/373001610.db2.gz YHTZLGMFTDBMLG-OAHLLOKOSA-N 1 1 299.805 3.294 20 30 CGEDMO C=CCCCCC[N@@H+](C)Cc1nccn1C(F)F ZINC000172654638 373005590 /nfs/dbraw/zinc/00/55/90/373005590.db2.gz YPTZPIUWKAPBFW-UHFFFAOYSA-N 1 1 257.328 3.456 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1nccn1C(F)F ZINC000172654638 373005600 /nfs/dbraw/zinc/00/56/00/373005600.db2.gz YPTZPIUWKAPBFW-UHFFFAOYSA-N 1 1 257.328 3.456 20 30 CGEDMO C[C@@H]1Cc2[nH+]cn(Cc3ccc(C#N)cc3)c2C[C@@H]1C ZINC000296049971 373006612 /nfs/dbraw/zinc/00/66/12/373006612.db2.gz UBOTWAGVARRNQT-OLZOCXBDSA-N 1 1 265.360 3.174 20 30 CGEDMO CC[C@@H]1CCCC[C@H]1[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000444676929 373232950 /nfs/dbraw/zinc/23/29/50/373232950.db2.gz OTSJVLSYWZJDRH-NVXWUHKLSA-N 1 1 299.418 3.397 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)CCO1 ZINC000444682018 373234476 /nfs/dbraw/zinc/23/44/76/373234476.db2.gz YETQPZUMHPOHKN-AWEZNQCLSA-N 1 1 252.402 3.063 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000296814556 373248160 /nfs/dbraw/zinc/24/81/60/373248160.db2.gz VEJWRICSVOTOSE-GJZGRUSLSA-N 1 1 283.419 3.035 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCN(C2CC2)C[C@@H](C)C1 ZINC000296814556 373248165 /nfs/dbraw/zinc/24/81/65/373248165.db2.gz VEJWRICSVOTOSE-GJZGRUSLSA-N 1 1 283.419 3.035 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCN(C2CC2)C[C@@H](C)C1 ZINC000296814556 373248168 /nfs/dbraw/zinc/24/81/68/373248168.db2.gz VEJWRICSVOTOSE-GJZGRUSLSA-N 1 1 283.419 3.035 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444718902 373250974 /nfs/dbraw/zinc/25/09/74/373250974.db2.gz WUGFBZJIFLBMIF-JTQLQIEISA-N 1 1 286.272 3.472 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444718902 373250978 /nfs/dbraw/zinc/25/09/78/373250978.db2.gz WUGFBZJIFLBMIF-JTQLQIEISA-N 1 1 286.272 3.472 20 30 CGEDMO C=CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000297039552 373254715 /nfs/dbraw/zinc/25/47/15/373254715.db2.gz ODTSIIDNGIZQKQ-FBVQUNGASA-N 1 1 298.430 3.088 20 30 CGEDMO CCC[C@@]1(CO)CCC[N@H+]1CC#Cc1ccccc1Cl ZINC000444765863 373265080 /nfs/dbraw/zinc/26/50/80/373265080.db2.gz LNKQONFPBGYTON-KRWDZBQOSA-N 1 1 291.822 3.319 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCOc2ccc(Br)cc21 ZINC000445875180 373316570 /nfs/dbraw/zinc/31/65/70/373316570.db2.gz JOEPSQATXDQMKT-LBPRGKRZSA-N 1 1 282.181 3.391 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC(CC)(CC)C1 ZINC000446738650 373355011 /nfs/dbraw/zinc/35/50/11/373355011.db2.gz KPEXRJVPIIMTEH-HNNXBMFYSA-N 1 1 278.440 3.088 20 30 CGEDMO CCC[N@@H+]1CC[C@@H](CN[C@@H](CC)c2ccc(C#N)cc2)C1 ZINC000447531269 373446283 /nfs/dbraw/zinc/44/62/83/373446283.db2.gz QNUSASIMSBUDSK-WMZOPIPTSA-N 1 1 285.435 3.331 20 30 CGEDMO CCC[N@H+]1CC[C@@H](CN[C@@H](CC)c2ccc(C#N)cc2)C1 ZINC000447531269 373446288 /nfs/dbraw/zinc/44/62/88/373446288.db2.gz QNUSASIMSBUDSK-WMZOPIPTSA-N 1 1 285.435 3.331 20 30 CGEDMO Cc1occc1C[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000176821489 373632613 /nfs/dbraw/zinc/63/26/13/373632613.db2.gz NTMRGRHXLIZDGD-UHFFFAOYSA-N 1 1 258.296 3.231 20 30 CGEDMO Cc1occc1C[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000176821489 373632620 /nfs/dbraw/zinc/63/26/20/373632620.db2.gz NTMRGRHXLIZDGD-UHFFFAOYSA-N 1 1 258.296 3.231 20 30 CGEDMO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CC[C@H]1C ZINC000299916564 373616394 /nfs/dbraw/zinc/61/63/94/373616394.db2.gz HHAYCYQWDXFFJR-IAQYHMDHSA-N 1 1 278.783 3.068 20 30 CGEDMO C[N@H+](CCC#N)CCC(=O)Nc1cccc2ccccc21 ZINC000177192691 373663714 /nfs/dbraw/zinc/66/37/14/373663714.db2.gz PZSKOHCWVXZOMP-UHFFFAOYSA-N 1 1 281.359 3.014 20 30 CGEDMO C[N@@H+](CCC#N)CCC(=O)Nc1cccc2ccccc21 ZINC000177192691 373663719 /nfs/dbraw/zinc/66/37/19/373663719.db2.gz PZSKOHCWVXZOMP-UHFFFAOYSA-N 1 1 281.359 3.014 20 30 CGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000177569434 373693584 /nfs/dbraw/zinc/69/35/84/373693584.db2.gz RPIUBRGOYYBUSF-BMFZPTHFSA-N 1 1 297.402 3.007 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc(N(C)CCC#N)cc1)C1CC1 ZINC000179485308 373878677 /nfs/dbraw/zinc/87/86/77/373878677.db2.gz WTCSQNXPRWKPML-UHFFFAOYSA-N 1 1 271.408 3.409 20 30 CGEDMO CC(C)(C)C[C@H]1CC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000449776220 373904836 /nfs/dbraw/zinc/90/48/36/373904836.db2.gz OFNDUQSTCKHPMC-LLVKDONJSA-N 1 1 263.410 3.273 20 30 CGEDMO CC(C)(C)C[C@H]1CC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000449776220 373904844 /nfs/dbraw/zinc/90/48/44/373904844.db2.gz OFNDUQSTCKHPMC-LLVKDONJSA-N 1 1 263.410 3.273 20 30 CGEDMO N#Cc1cccc(C#N)c1N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000302884582 373997689 /nfs/dbraw/zinc/99/76/89/373997689.db2.gz LVLIAQSQKYMQCY-QGZVFWFLSA-N 1 1 294.402 3.106 20 30 CGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000289534373 197393280 /nfs/dbraw/zinc/39/32/80/197393280.db2.gz WITGYDJHIYJXEO-CZUORRHYSA-N 1 1 297.402 3.007 20 30 CGEDMO C=CC[N@H+](CC(=O)N1CCC[C@H](C)C1)CC1CCCCC1 ZINC000303426326 374016118 /nfs/dbraw/zinc/01/61/18/374016118.db2.gz BZQFNQKBEGKWSF-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO N#Cc1cccc(C[N@H+](CCO)[C@@H]2CCc3ccccc32)c1 ZINC000304119383 374040039 /nfs/dbraw/zinc/04/00/39/374040039.db2.gz PWOVIIQZMCLCCV-LJQANCHMSA-N 1 1 292.382 3.040 20 30 CGEDMO C=CC1CCN(C[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000450397303 374102510 /nfs/dbraw/zinc/10/25/10/374102510.db2.gz YQQDBYSWBUJSML-INIZCTEOSA-N 1 1 250.430 3.147 20 30 CGEDMO C=CC1CCN(C[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000450397303 374102517 /nfs/dbraw/zinc/10/25/17/374102517.db2.gz YQQDBYSWBUJSML-INIZCTEOSA-N 1 1 250.430 3.147 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000181921367 374189844 /nfs/dbraw/zinc/18/98/44/374189844.db2.gz BRRGYDRYDPFVMJ-QGZVFWFLSA-N 1 1 286.419 3.260 20 30 CGEDMO COC[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000452106943 374237469 /nfs/dbraw/zinc/23/74/69/374237469.db2.gz RPJPEXZTKPDSBY-ZDUSSCGKSA-N 1 1 292.810 3.460 20 30 CGEDMO C[C@@H](C1CCC1)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000325635339 374358730 /nfs/dbraw/zinc/35/87/30/374358730.db2.gz YMUFKPLBEKMZCB-ZDUSSCGKSA-N 1 1 258.365 3.057 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@H]2CCCOc3ccc(F)cc32)o1 ZINC000334368696 374689985 /nfs/dbraw/zinc/68/99/85/374689985.db2.gz MEFVRAJRFNDXLD-HNNXBMFYSA-N 1 1 286.306 3.294 20 30 CGEDMO N#Cc1ccc2c(c1)[C@H]([N@H+]1CCC[C@@]3(CCOC3)C1)CC2 ZINC000334531822 374828801 /nfs/dbraw/zinc/82/88/01/374828801.db2.gz VFJMHIRXAFVIRW-QZTJIDSGSA-N 1 1 282.387 3.048 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cc1O ZINC000186829200 374925031 /nfs/dbraw/zinc/92/50/31/374925031.db2.gz CHMGNQMMZUEEHF-CYBMUJFWSA-N 1 1 296.370 3.465 20 30 CGEDMO C=CC[N@H+](CCC(C)(C)OC)Cc1ccc(OC)cc1 ZINC000469063961 374986494 /nfs/dbraw/zinc/98/64/94/374986494.db2.gz VGTJURJHUBGGLV-UHFFFAOYSA-N 1 1 277.408 3.498 20 30 CGEDMO C=CC[N@H+](C[C@@H](O)Cc1ccc2ccccc2c1)C1CC1 ZINC000470777494 374999067 /nfs/dbraw/zinc/99/90/67/374999067.db2.gz WVHKGINXADJHCY-IBGZPJMESA-N 1 1 281.399 3.394 20 30 CGEDMO C=CCOCCC[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000470867719 375000673 /nfs/dbraw/zinc/00/06/73/375000673.db2.gz YICSRJPZHFWSQZ-LBPRGKRZSA-N 1 1 279.346 3.490 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)OC)cc1F ZINC000470865341 375001264 /nfs/dbraw/zinc/00/12/64/375001264.db2.gz GCDRQGUDJWMAIA-CQSZACIVSA-N 1 1 277.339 3.153 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(C(=O)OC)cc1F ZINC000470865341 375001270 /nfs/dbraw/zinc/00/12/70/375001270.db2.gz GCDRQGUDJWMAIA-CQSZACIVSA-N 1 1 277.339 3.153 20 30 CGEDMO C=CCCCCNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000471701688 375006330 /nfs/dbraw/zinc/00/63/30/375006330.db2.gz JKWMAZYRENBOBC-HNNXBMFYSA-N 1 1 294.826 3.415 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000472752660 375034249 /nfs/dbraw/zinc/03/42/49/375034249.db2.gz PVMNMGVRQOBRCL-ZWKOTPCHSA-N 1 1 273.420 3.411 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCc1ccccn1 ZINC000187721795 375081519 /nfs/dbraw/zinc/08/15/19/375081519.db2.gz BILABDVZRSCGFV-CQSZACIVSA-N 1 1 265.360 3.189 20 30 CGEDMO CC#CC[N@H+](Cc1cc(OC)ccc1OC)C(C)(C)C ZINC000474157553 375086328 /nfs/dbraw/zinc/08/63/28/375086328.db2.gz JLZPJDIRUSIOAM-UHFFFAOYSA-N 1 1 275.392 3.328 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000473626508 375055605 /nfs/dbraw/zinc/05/56/05/375055605.db2.gz OWNRHNLWHHOAQI-RVKKMQEKSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)C[N@H+](CC)CCCN(CC)CC(F)(F)F ZINC000475039123 375130711 /nfs/dbraw/zinc/13/07/11/375130711.db2.gz NWPCSNIHUNFQSE-UHFFFAOYSA-N 1 1 266.351 3.159 20 30 CGEDMO C=CCC[C@@H](C(=O)NCC[N@@H+]1CC=CCC1)c1ccccc1 ZINC000477629935 375145283 /nfs/dbraw/zinc/14/52/83/375145283.db2.gz VBXBWUMPRHGQHK-GOSISDBHSA-N 1 1 298.430 3.115 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000481705286 375165663 /nfs/dbraw/zinc/16/56/63/375165663.db2.gz YUPPGPOELFWKSM-KRWDZBQOSA-N 1 1 257.377 3.474 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000483080940 375174834 /nfs/dbraw/zinc/17/48/34/375174834.db2.gz YOFXETYUSZVZEQ-RYRKJORJSA-N 1 1 298.430 3.269 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)CC1(OC)CCCC1 ZINC000483328336 375178254 /nfs/dbraw/zinc/17/82/54/375178254.db2.gz ZDCNJZKKXXWGJK-UHFFFAOYSA-N 1 1 263.381 3.269 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000483410755 375179723 /nfs/dbraw/zinc/17/97/23/375179723.db2.gz TUMZEFPADFRLNH-DLBZAZTESA-N 1 1 277.383 3.116 20 30 CGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCC[C@@H](C)C1 ZINC000187924898 375118475 /nfs/dbraw/zinc/11/84/75/375118475.db2.gz ACXHEACYYFYSNR-KGLIPLIRSA-N 1 1 285.391 3.007 20 30 CGEDMO C=CC[NH+]1CCC(NCc2c(F)cccc2CC)CC1 ZINC000474709895 375127077 /nfs/dbraw/zinc/12/70/77/375127077.db2.gz OJXLNPMBZUIHLF-UHFFFAOYSA-N 1 1 276.399 3.128 20 30 CGEDMO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000487379377 375233909 /nfs/dbraw/zinc/23/39/09/375233909.db2.gz NMRRRIRKBPBKKO-ZBFHGGJFSA-N 1 1 286.419 3.487 20 30 CGEDMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)CC#Cc1ccccc1 ZINC000484084820 375187407 /nfs/dbraw/zinc/18/74/07/375187407.db2.gz LQODBPWKGWNPKP-OXJNMPFZSA-N 1 1 291.394 3.362 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+](CC=C)CC1CCCCC1 ZINC000484571115 375188974 /nfs/dbraw/zinc/18/89/74/375188974.db2.gz NAQJFTPORUYMHV-UHFFFAOYSA-N 1 1 290.451 3.255 20 30 CGEDMO CC(C)[C@H]1CN(Cc2ccccc2C(C)(C)C#N)CC[N@H+]1C ZINC000487958470 375288260 /nfs/dbraw/zinc/28/82/60/375288260.db2.gz ZFYCVHTZDWNDBH-GOSISDBHSA-N 1 1 299.462 3.260 20 30 CGEDMO CC(C)[C@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)CCN1C ZINC000487958470 375288267 /nfs/dbraw/zinc/28/82/67/375288267.db2.gz ZFYCVHTZDWNDBH-GOSISDBHSA-N 1 1 299.462 3.260 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CCN1C ZINC000487958470 375288271 /nfs/dbraw/zinc/28/82/71/375288271.db2.gz ZFYCVHTZDWNDBH-GOSISDBHSA-N 1 1 299.462 3.260 20 30 CGEDMO COCC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CCC[C@@H]1C ZINC000488071138 375302978 /nfs/dbraw/zinc/30/29/78/375302978.db2.gz HTLUDDBDPMZFEW-GUYCJALGSA-N 1 1 290.382 3.334 20 30 CGEDMO COC[C@H](C)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000189667826 375432912 /nfs/dbraw/zinc/43/29/12/375432912.db2.gz STPVCJZBMUZVRK-CQSZACIVSA-N 1 1 260.381 3.051 20 30 CGEDMO Cc1cc(C2CC[NH+](Cc3ccc(C#N)c(C)c3)CC2)n[nH]1 ZINC000335908178 375532385 /nfs/dbraw/zinc/53/23/85/375532385.db2.gz MSANRWJVYTZXIE-UHFFFAOYSA-N 1 1 294.402 3.278 20 30 CGEDMO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@H+]1CCCC#N ZINC000496530921 375540927 /nfs/dbraw/zinc/54/09/27/375540927.db2.gz DYUYTDDFPJABMN-AWEZNQCLSA-N 1 1 295.427 3.059 20 30 CGEDMO CC[C@]1(C)C[N@@H+]([C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000190066777 375474574 /nfs/dbraw/zinc/47/45/74/375474574.db2.gz IZDWTMLGWCZLBJ-XJKSGUPXSA-N 1 1 258.365 3.120 20 30 CGEDMO CC[C@]1(C)C[N@H+]([C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000190066777 375474581 /nfs/dbraw/zinc/47/45/81/375474581.db2.gz IZDWTMLGWCZLBJ-XJKSGUPXSA-N 1 1 258.365 3.120 20 30 CGEDMO C=CCC[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000495124613 375497554 /nfs/dbraw/zinc/49/75/54/375497554.db2.gz WVVUWYTWQOMLNA-SJLPKXTDSA-N 1 1 298.430 3.089 20 30 CGEDMO C[C@@H]1CSCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000190403978 375504981 /nfs/dbraw/zinc/50/49/81/375504981.db2.gz KZDYUVIOBBXKSD-NSHDSACASA-N 1 1 280.824 3.397 20 30 CGEDMO C[C@@H]1CSCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000190403978 375504987 /nfs/dbraw/zinc/50/49/87/375504987.db2.gz KZDYUVIOBBXKSD-NSHDSACASA-N 1 1 280.824 3.397 20 30 CGEDMO Cc1cc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)ccc1C#N ZINC000335875789 375504956 /nfs/dbraw/zinc/50/49/56/375504956.db2.gz ARUPRJCZNFBYBO-CABCVRRESA-N 1 1 276.330 3.344 20 30 CGEDMO Cc1cc(C[NH2+]CCC#N)cc(NC(=O)OC(C)(C)C)c1 ZINC000496209553 375521810 /nfs/dbraw/zinc/52/18/10/375521810.db2.gz VYOWZXRYGMPWEV-UHFFFAOYSA-N 1 1 289.379 3.345 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@H]2C2CCCCC2)cc1C#N ZINC000191230360 375598553 /nfs/dbraw/zinc/59/85/53/375598553.db2.gz PIHGEYUHUDDQKK-KRWDZBQOSA-N 1 1 271.408 3.441 20 30 CGEDMO C[C@H]1c2ccccc2CC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000191333218 375611461 /nfs/dbraw/zinc/61/14/61/375611461.db2.gz NINGZHLZAMXASZ-ZDUSSCGKSA-N 1 1 265.360 3.016 20 30 CGEDMO C=CC[N@H+](CCC)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502929560 375648151 /nfs/dbraw/zinc/64/81/51/375648151.db2.gz CWYJRCMRNCSYHX-AWEZNQCLSA-N 1 1 260.381 3.302 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)NC(CC)CC ZINC000505741993 375662503 /nfs/dbraw/zinc/66/25/03/375662503.db2.gz MWLRAGKWQLBPHC-HNNXBMFYSA-N 1 1 288.435 3.368 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)NC(CC)CC ZINC000505741993 375662511 /nfs/dbraw/zinc/66/25/11/375662511.db2.gz MWLRAGKWQLBPHC-HNNXBMFYSA-N 1 1 288.435 3.368 20 30 CGEDMO C=CC[N@H+](CCOCC(F)(F)F)Cc1cccs1 ZINC000505463233 375658418 /nfs/dbraw/zinc/65/84/18/375658418.db2.gz ZHZKTMOEXYHWCA-UHFFFAOYSA-N 1 1 279.327 3.315 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000505884228 375663499 /nfs/dbraw/zinc/66/34/99/375663499.db2.gz HBHRNUCSJJFZAX-DHTNOJSISA-N 1 1 271.404 3.491 20 30 CGEDMO N#Cc1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1F ZINC000191883195 375673267 /nfs/dbraw/zinc/67/32/67/375673267.db2.gz GSPHDXFCHFOUOJ-UHFFFAOYSA-N 1 1 295.361 3.020 20 30 CGEDMO C=CC[N@@H+](Cc1conc1CC)Cc1ccccc1 ZINC000507369370 375698792 /nfs/dbraw/zinc/69/87/92/375698792.db2.gz DXZLGDIOKMWOOI-UHFFFAOYSA-N 1 1 256.349 3.425 20 30 CGEDMO C=CC[N@H+](Cc1conc1CC)Cc1ccccc1 ZINC000507369370 375698802 /nfs/dbraw/zinc/69/88/02/375698802.db2.gz DXZLGDIOKMWOOI-UHFFFAOYSA-N 1 1 256.349 3.425 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000192098221 375699263 /nfs/dbraw/zinc/69/92/63/375699263.db2.gz IYIGQNGAVYFYLJ-IBGZPJMESA-N 1 1 276.383 3.225 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](CO)c1cccc(Br)c1 ZINC000508991504 375766570 /nfs/dbraw/zinc/76/65/70/375766570.db2.gz RABLOBFWVQNEEH-AWEZNQCLSA-N 1 1 298.224 3.381 20 30 CGEDMO FC(F)OC[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000512825998 375798988 /nfs/dbraw/zinc/79/89/88/375798988.db2.gz BCSPMJPSECGDRV-GFCCVEGCSA-N 1 1 299.748 3.253 20 30 CGEDMO FC(F)OC[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000512825998 375798992 /nfs/dbraw/zinc/79/89/92/375798992.db2.gz BCSPMJPSECGDRV-GFCCVEGCSA-N 1 1 299.748 3.253 20 30 CGEDMO CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccccc2C#N)c1 ZINC000193430626 375877024 /nfs/dbraw/zinc/87/70/24/375877024.db2.gz QSQWIRQPUDLEAV-CYBMUJFWSA-N 1 1 293.370 3.367 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H](C)CC ZINC000525328230 375883089 /nfs/dbraw/zinc/88/30/89/375883089.db2.gz GNAGRJKJQOLGQV-JKSUJKDBSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCCCC[N@@H+]1CCSC[C@@H]1c1cnn(C)c1 ZINC000193579398 375894972 /nfs/dbraw/zinc/89/49/72/375894972.db2.gz AZEMSTQWEKLWPE-OAHLLOKOSA-N 1 1 279.453 3.256 20 30 CGEDMO C=C[C@H](C)[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000336657263 375896414 /nfs/dbraw/zinc/89/64/14/375896414.db2.gz POFBQCSPIBXUFM-UXLLHSPISA-N 1 1 258.409 3.061 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000528394435 375900602 /nfs/dbraw/zinc/90/06/02/375900602.db2.gz HQIGESQPTLJWSN-HUUCEWRRSA-N 1 1 290.794 3.142 20 30 CGEDMO C=CC[NH+]1CCC(N[C@H](C)c2ccc(C)cc2OC)CC1 ZINC000532514324 375952689 /nfs/dbraw/zinc/95/26/89/375952689.db2.gz MZRUWJGSVGQENZ-OAHLLOKOSA-N 1 1 288.435 3.305 20 30 CGEDMO CSCCC[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000336807434 375957566 /nfs/dbraw/zinc/95/75/66/375957566.db2.gz JXEOMAIEVKTFSP-UHFFFAOYSA-N 1 1 278.421 3.012 20 30 CGEDMO CC[N@@H+](CCC[C@@H](C)O)[C@H](C)c1ccc(C#N)cc1 ZINC000336817418 375971988 /nfs/dbraw/zinc/97/19/88/375971988.db2.gz QGZVUEMEQQNMDW-ZIAGYGMSSA-N 1 1 260.381 3.102 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000532124335 375949671 /nfs/dbraw/zinc/94/96/71/375949671.db2.gz ZNMTXJYOQZFBER-JONQDZQNSA-N 1 1 251.414 3.214 20 30 CGEDMO C=CCN1CC[C@@H]([N@H+](Cc2ccccc2)[C@H](C)CC)C1=O ZINC000337135428 376092524 /nfs/dbraw/zinc/09/25/24/376092524.db2.gz NSDNMNAJXVVIHT-NVXWUHKLSA-N 1 1 286.419 3.074 20 30 CGEDMO CCC[C@H](C)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000337144046 376097868 /nfs/dbraw/zinc/09/78/68/376097868.db2.gz ZMHNRUFNFRUQSX-AWEZNQCLSA-N 1 1 252.402 3.207 20 30 CGEDMO CC(C)[N@@H+](CCCC1(C#N)CCOCC1)C1CCC1 ZINC000337179245 376116923 /nfs/dbraw/zinc/11/69/23/376116923.db2.gz KZNWZBPAHFBECB-UHFFFAOYSA-N 1 1 264.413 3.350 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1ccc(C)c(Cl)c1)C1CC1 ZINC000536745951 376129444 /nfs/dbraw/zinc/12/94/44/376129444.db2.gz QTWDUHVXBWOTHZ-UHFFFAOYSA-N 1 1 278.783 3.237 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1ccc(C)c(Cl)c1)C1CC1 ZINC000536745951 376129450 /nfs/dbraw/zinc/12/94/50/376129450.db2.gz QTWDUHVXBWOTHZ-UHFFFAOYSA-N 1 1 278.783 3.237 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(C3CCC3)cc2)C1=O ZINC000337224143 376148988 /nfs/dbraw/zinc/14/89/88/376148988.db2.gz NGBKWMPAGVYZGC-SFHVURJKSA-N 1 1 298.430 3.173 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)Cc2cnn(CC)c2)cc1 ZINC000539824506 376335150 /nfs/dbraw/zinc/33/51/50/376335150.db2.gz DLMMJRRSFYBFKY-UHFFFAOYSA-N 1 1 285.391 3.100 20 30 CGEDMO C=C(CC)C[N@H+](CCC)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000539103678 376295741 /nfs/dbraw/zinc/29/57/41/376295741.db2.gz AWWPLFGZCTYTKH-RRFJBIMHSA-N 1 1 251.414 3.478 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000539248639 376300188 /nfs/dbraw/zinc/30/01/88/376300188.db2.gz XMWHOLGMJZITRS-CHWSQXEVSA-N 1 1 278.362 3.300 20 30 CGEDMO CC(C)(C)[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000264175467 190093715 /nfs/dbraw/zinc/09/37/15/190093715.db2.gz IUYIWNBSXSWTFV-INIZCTEOSA-N 1 1 299.418 3.397 20 30 CGEDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1CCCCC(C)(C)C#N ZINC000235229902 376634565 /nfs/dbraw/zinc/63/45/65/376634565.db2.gz PNZPGJBUAWKTCU-CABCVRRESA-N 1 1 266.429 3.332 20 30 CGEDMO C=CCOCC[N@@H+](CC(=C)C)Cc1cnn(C(C)C)c1 ZINC000339193909 376731192 /nfs/dbraw/zinc/73/11/92/376731192.db2.gz OPINNZAMWPMHAK-UHFFFAOYSA-N 1 1 277.412 3.045 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000544143792 376709559 /nfs/dbraw/zinc/70/95/59/376709559.db2.gz MWYVUYBIKPCEHN-SFHVURJKSA-N 1 1 277.371 3.485 20 30 CGEDMO CC1(C)C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C[C@@](C)(C(F)(F)F)O1 ZINC000339453311 376759360 /nfs/dbraw/zinc/75/93/60/376759360.db2.gz FBPWTOHJVARYJA-WZRBSPASSA-N 1 1 290.329 3.110 20 30 CGEDMO CC1(C)C[N@H+]([C@@H]2CC[C@@H](C#N)C2)C[C@@](C)(C(F)(F)F)O1 ZINC000339453311 376759368 /nfs/dbraw/zinc/75/93/68/376759368.db2.gz FBPWTOHJVARYJA-WZRBSPASSA-N 1 1 290.329 3.110 20 30 CGEDMO Cc1[nH+]ccn1-c1ncccc1NCc1ccc(C#N)cc1 ZINC000237639950 376754582 /nfs/dbraw/zinc/75/45/82/376754582.db2.gz BDWLIOIUJLOVIT-UHFFFAOYSA-N 1 1 289.342 3.060 20 30 CGEDMO C[N@H+](CC1(C#N)CC1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000553954709 376848240 /nfs/dbraw/zinc/84/82/40/376848240.db2.gz ZKGVPBNIOOIOJQ-HZPDHXFCSA-N 1 1 284.403 3.468 20 30 CGEDMO C[N@@H+](CC1(C#N)CC1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000553954709 376848248 /nfs/dbraw/zinc/84/82/48/376848248.db2.gz ZKGVPBNIOOIOJQ-HZPDHXFCSA-N 1 1 284.403 3.468 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)C[C@H](C)Cc1ccc(OC)cc1 ZINC000245607899 376868150 /nfs/dbraw/zinc/86/81/50/376868150.db2.gz ZNVBRONMWBCPKM-WBVHZDCISA-N 1 1 291.435 3.133 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000245956993 376942650 /nfs/dbraw/zinc/94/26/50/376942650.db2.gz UFBFWZSJPFQMLW-GOEBONIOSA-N 1 1 270.376 3.331 20 30 CGEDMO Clc1ccc(C#CC[N@H+]2CC[C@@H]3OCCC[C@H]3C2)cc1 ZINC000246418869 377026071 /nfs/dbraw/zinc/02/60/71/377026071.db2.gz AKSZQEIVFKTHIK-RDJZCZTQSA-N 1 1 289.806 3.192 20 30 CGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H](C)[C@@H]1C ZINC000246510853 377043741 /nfs/dbraw/zinc/04/37/41/377043741.db2.gz BHYRUMKEZZNFPY-KBPBESRZSA-N 1 1 288.391 3.066 20 30 CGEDMO CCC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000246611776 377062794 /nfs/dbraw/zinc/06/27/94/377062794.db2.gz RIDFCNRGIYEDBH-HUUCEWRRSA-N 1 1 299.418 3.397 20 30 CGEDMO C[C@@H]1C[N@H+](CCCCC#N)C[C@@H](c2ccc(F)cc2)O1 ZINC000246695533 377073484 /nfs/dbraw/zinc/07/34/84/377073484.db2.gz KKLPDZHQPGKYOU-CJNGLKHVSA-N 1 1 276.355 3.281 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCCC#N)C[C@@H](c2ccc(F)cc2)O1 ZINC000246695533 377073489 /nfs/dbraw/zinc/07/34/89/377073489.db2.gz KKLPDZHQPGKYOU-CJNGLKHVSA-N 1 1 276.355 3.281 20 30 CGEDMO C[N@@H+](CCSCc1ccc(C#N)cn1)Cc1ccccc1 ZINC000559629174 377094516 /nfs/dbraw/zinc/09/45/16/377094516.db2.gz MRLVEOFNTFFTQN-UHFFFAOYSA-N 1 1 297.427 3.318 20 30 CGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000246841381 377103076 /nfs/dbraw/zinc/10/30/76/377103076.db2.gz VEKDRDMDUCWTGH-RBSFLKMASA-N 1 1 299.418 3.253 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)[C@H]1C ZINC000246994500 377133887 /nfs/dbraw/zinc/13/38/87/377133887.db2.gz SUTPERJZSKOTQN-CVEARBPZSA-N 1 1 299.418 3.054 20 30 CGEDMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1C[C@@H](C#N)CCC#N ZINC000247079665 377155621 /nfs/dbraw/zinc/15/56/21/377155621.db2.gz ZDSWKEWXIUUBMP-FMKPAKJESA-N 1 1 285.366 3.447 20 30 CGEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC[C@H]2C)cc1 ZINC000247506642 377216225 /nfs/dbraw/zinc/21/62/25/377216225.db2.gz MEAROIUNYWUACF-CVEARBPZSA-N 1 1 299.418 3.115 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000247641124 377229188 /nfs/dbraw/zinc/22/91/88/377229188.db2.gz VQUYMTJSOAFZJP-XIRDDKMYSA-N 1 1 259.393 3.192 20 30 CGEDMO CCC[C@@H]1C[N@@H+]([C@H](C)c2ccc(C#N)cc2)CCO1 ZINC000248127114 377268864 /nfs/dbraw/zinc/26/88/64/377268864.db2.gz VTVABUSQZMTJAR-CZUORRHYSA-N 1 1 258.365 3.120 20 30 CGEDMO CCC[C@@H]1C[N@H+]([C@H](C)c2ccc(C#N)cc2)CCO1 ZINC000248127114 377268870 /nfs/dbraw/zinc/26/88/70/377268870.db2.gz VTVABUSQZMTJAR-CZUORRHYSA-N 1 1 258.365 3.120 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc(Cl)cn1 ZINC000562259040 377288232 /nfs/dbraw/zinc/28/82/32/377288232.db2.gz CFCHYRNVRIMXPY-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(Cl)cn1 ZINC000562259040 377288238 /nfs/dbraw/zinc/28/82/38/377288238.db2.gz CFCHYRNVRIMXPY-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000562370461 377302468 /nfs/dbraw/zinc/30/24/68/377302468.db2.gz KVMSPAJNAJTFEZ-GFCCVEGCSA-N 1 1 269.323 3.285 20 30 CGEDMO CSC[C@@H]1CCC[N@H+]1Cc1cccc(C#N)c1F ZINC000340886120 377303152 /nfs/dbraw/zinc/30/31/52/377303152.db2.gz FTUOVQGFIITMBZ-ZDUSSCGKSA-N 1 1 264.369 3.025 20 30 CGEDMO N#Cc1cccc(C2([NH2+]Cc3cc(O)cc(F)c3)CC2)c1 ZINC000341225900 377453283 /nfs/dbraw/zinc/45/32/83/377453283.db2.gz FQJHGWAMMRQSNP-UHFFFAOYSA-N 1 1 282.318 3.182 20 30 CGEDMO CC[C@@H](C)[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000563354934 377445658 /nfs/dbraw/zinc/44/56/58/377445658.db2.gz RQLBWZBZIVQVDU-CZUORRHYSA-N 1 1 257.381 3.354 20 30 CGEDMO CC[C@H](C)[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000563354936 377449252 /nfs/dbraw/zinc/44/92/52/377449252.db2.gz RQLBWZBZIVQVDU-XJKSGUPXSA-N 1 1 257.381 3.354 20 30 CGEDMO OC1([C@H]2CCCC[N@@H+]2CC#Cc2ccccc2Cl)CC1 ZINC000566900597 377502760 /nfs/dbraw/zinc/50/27/60/377502760.db2.gz YWBYZRRIEFEYHO-MRXNPFEDSA-N 1 1 289.806 3.071 20 30 CGEDMO OC1([C@H]2CCCC[N@H+]2CC#Cc2ccccc2Cl)CC1 ZINC000566900597 377502766 /nfs/dbraw/zinc/50/27/66/377502766.db2.gz YWBYZRRIEFEYHO-MRXNPFEDSA-N 1 1 289.806 3.071 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCSC[C@@H](C)C1 ZINC000249110438 377465866 /nfs/dbraw/zinc/46/58/66/377465866.db2.gz VURJKPNKXKYPKJ-QWHCGFSZSA-N 1 1 260.406 3.304 20 30 CGEDMO C[C@H](c1nc(C2CC2)no1)[NH+]1CCC(CCC#N)CC1 ZINC000564080484 377475387 /nfs/dbraw/zinc/47/53/87/377475387.db2.gz IFFGRNKAGPMMRT-LLVKDONJSA-N 1 1 274.368 3.024 20 30 CGEDMO C[N@@H+](Cc1ccccc1CNCCC#N)C1CCCCC1 ZINC000565417417 377487653 /nfs/dbraw/zinc/48/76/53/377487653.db2.gz SJYBOSGDTYTPPC-UHFFFAOYSA-N 1 1 285.435 3.454 20 30 CGEDMO C=CCCCCCNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000565609439 377488689 /nfs/dbraw/zinc/48/86/89/377488689.db2.gz WKFDXXUYYLDXOT-OAHLLOKOSA-N 1 1 266.429 3.114 20 30 CGEDMO C=CC[N@H+](CCCOc1ccc(Cl)cc1)CCOC ZINC000565927266 377490819 /nfs/dbraw/zinc/49/08/19/377490819.db2.gz VHFRVIHFZATWMI-UHFFFAOYSA-N 1 1 283.799 3.243 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000566247979 377494221 /nfs/dbraw/zinc/49/42/21/377494221.db2.gz FNFFLEJXMZJRIV-OAHLLOKOSA-N 1 1 287.403 3.395 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000566247979 377494233 /nfs/dbraw/zinc/49/42/33/377494233.db2.gz FNFFLEJXMZJRIV-OAHLLOKOSA-N 1 1 287.403 3.395 20 30 CGEDMO Cc1cccc(C)c1NC(=O)C[NH+]1CCC(CCC#N)CC1 ZINC000566794454 377500210 /nfs/dbraw/zinc/50/02/10/377500210.db2.gz DYEGFBAHKCBLJA-UHFFFAOYSA-N 1 1 299.418 3.258 20 30 CGEDMO COCC[N@@H+](Cc1ccccc1C#N)[C@@H]1CCC[C@H]1C ZINC000487967503 249171831 /nfs/dbraw/zinc/17/18/31/249171831.db2.gz ZEEMNMUQILUWAL-RHSMWYFYSA-N 1 1 272.392 3.195 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCOc2ccccc2C#N)[C@H]1C ZINC000251606314 377590990 /nfs/dbraw/zinc/59/09/90/377590990.db2.gz BXHCIWOZUYOSGC-KGLIPLIRSA-N 1 1 258.365 3.057 20 30 CGEDMO CC1=C(C)C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000517747820 249271073 /nfs/dbraw/zinc/27/10/73/249271073.db2.gz IAZSMADREGILCA-UHFFFAOYSA-N 1 1 271.320 3.009 20 30 CGEDMO CC1=C(C)C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000517747820 249271074 /nfs/dbraw/zinc/27/10/74/249271074.db2.gz IAZSMADREGILCA-UHFFFAOYSA-N 1 1 271.320 3.009 20 30 CGEDMO CCC[N@@H+](CC)C[C@@H](C)Nc1ccc(F)cc1C#N ZINC000518909490 249289146 /nfs/dbraw/zinc/28/91/46/249289146.db2.gz QHNBTLHXSPKNAC-GFCCVEGCSA-N 1 1 263.360 3.230 20 30 CGEDMO CCCCCCC[N@H+]1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000252801731 377665187 /nfs/dbraw/zinc/66/51/87/377665187.db2.gz HBOSSAFWGWMGNB-ARFHVFGLSA-N 1 1 269.429 3.225 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253099940 377676365 /nfs/dbraw/zinc/67/63/65/377676365.db2.gz VTEFJUSMFRUSKN-ARFHVFGLSA-N 1 1 278.440 3.332 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000253355201 377685422 /nfs/dbraw/zinc/68/54/22/377685422.db2.gz DWRAEZGRLSIWRH-DOTOQJQBSA-N 1 1 290.451 3.208 20 30 CGEDMO C[N@@H+](CC[C@H]1CCCO1)Cc1ccccc1C(C)(C)C#N ZINC000342606527 377687711 /nfs/dbraw/zinc/68/77/11/377687711.db2.gz PXMJPCBCRXQXHJ-MRXNPFEDSA-N 1 1 286.419 3.489 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000342714741 377751340 /nfs/dbraw/zinc/75/13/40/377751340.db2.gz AFXWUZXLSKOYAU-QGZVFWFLSA-N 1 1 265.360 3.418 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CC[C@@H](C3CCOCC3)C2)cc1 ZINC000342720593 377752907 /nfs/dbraw/zinc/75/29/07/377752907.db2.gz AADKFLNLBKFECU-GOSISDBHSA-N 1 1 284.403 3.001 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)N[C@@H](CC)c1ccc(Cl)cc1 ZINC000342735583 377764365 /nfs/dbraw/zinc/76/43/65/377764365.db2.gz IAEDGRSIPGZERL-HNNXBMFYSA-N 1 1 294.826 3.415 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000342743108 377768702 /nfs/dbraw/zinc/76/87/02/377768702.db2.gz YTTFONRJVADJQA-QGZVFWFLSA-N 1 1 286.419 3.248 20 30 CGEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(CC#N)cc2)C1(C)C ZINC000343524278 378006427 /nfs/dbraw/zinc/00/64/27/378006427.db2.gz JGKLXSNXPDMCQP-DLBZAZTESA-N 1 1 286.419 3.388 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000343526533 378008030 /nfs/dbraw/zinc/00/80/30/378008030.db2.gz PENYOHBYMBRXLH-RDJZCZTQSA-N 1 1 286.419 3.122 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000343526533 378008037 /nfs/dbraw/zinc/00/80/37/378008037.db2.gz PENYOHBYMBRXLH-RDJZCZTQSA-N 1 1 286.419 3.122 20 30 CGEDMO C=CCC[N@H+](C)Cc1cnc(-c2ccccn2)s1 ZINC000343497630 377996643 /nfs/dbraw/zinc/99/66/43/377996643.db2.gz QSZSZPBWMRKLFJ-UHFFFAOYSA-N 1 1 259.378 3.213 20 30 CGEDMO C=CCCCCCNC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000578080978 378036757 /nfs/dbraw/zinc/03/67/57/378036757.db2.gz IFSBFZGBHWJGPO-UHFFFAOYSA-N 1 1 295.471 3.249 20 30 CGEDMO CC[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000578370003 378063810 /nfs/dbraw/zinc/06/38/10/378063810.db2.gz MAZWBLHQMIBNGM-HOCLYGCPSA-N 1 1 259.397 3.297 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](Cc1cccs1)C(C)C ZINC000268580651 378076643 /nfs/dbraw/zinc/07/66/43/378076643.db2.gz SWOXOIILGXTDCR-CYBMUJFWSA-N 1 1 253.411 3.286 20 30 CGEDMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000268619314 378081874 /nfs/dbraw/zinc/08/18/74/378081874.db2.gz NGULIHPIWNGFLA-UGSOOPFHSA-N 1 1 298.361 3.424 20 30 CGEDMO CC[C@@H](c1cccc(OC)c1)[N@H+](C)CC1(C#N)CC1 ZINC000343927383 378135631 /nfs/dbraw/zinc/13/56/31/378135631.db2.gz ABMCWLBDEZDMNK-HNNXBMFYSA-N 1 1 258.365 3.382 20 30 CGEDMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)CC1(C#N)CC1 ZINC000343927383 378135632 /nfs/dbraw/zinc/13/56/32/378135632.db2.gz ABMCWLBDEZDMNK-HNNXBMFYSA-N 1 1 258.365 3.382 20 30 CGEDMO C#CCC[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000268726585 378097279 /nfs/dbraw/zinc/09/72/79/378097279.db2.gz PNVBRUAVMBMSHY-UHFFFAOYSA-N 1 1 282.362 3.289 20 30 CGEDMO C=C(C)CN1CC[N@@H+](CC(=C)C)C[C@H]1[C@H](C)CC ZINC000270010171 378293582 /nfs/dbraw/zinc/29/35/82/378293582.db2.gz LPPCSQRYHWALML-CVEARBPZSA-N 1 1 250.430 3.171 20 30 CGEDMO C=C(C)CN1CC[N@H+](CC(=C)C)C[C@H]1[C@H](C)CC ZINC000270010171 378293586 /nfs/dbraw/zinc/29/35/86/378293586.db2.gz LPPCSQRYHWALML-CVEARBPZSA-N 1 1 250.430 3.171 20 30 CGEDMO C=CCCCCCNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000584419765 378383216 /nfs/dbraw/zinc/38/32/16/378383216.db2.gz PJWLMBPNWWLIKT-HOTGVXAUSA-N 1 1 295.471 3.105 20 30 CGEDMO C[C@@H](CCN(C)C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000271068786 378447124 /nfs/dbraw/zinc/44/71/24/378447124.db2.gz KFPFISJQBGFKRR-IVMQYODDSA-N 1 1 299.462 3.320 20 30 CGEDMO CCCC[N@@H+](C)CCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000346176683 378491818 /nfs/dbraw/zinc/49/18/18/378491818.db2.gz KRFHWIMWEXWLAA-CYBMUJFWSA-N 1 1 277.387 3.080 20 30 CGEDMO CCCCN(C)CC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000346176683 378491825 /nfs/dbraw/zinc/49/18/25/378491825.db2.gz KRFHWIMWEXWLAA-CYBMUJFWSA-N 1 1 277.387 3.080 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000272315745 378610862 /nfs/dbraw/zinc/61/08/62/378610862.db2.gz PNAPVPTZRUQEPB-SNVBAGLBSA-N 1 1 279.181 3.163 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccn(C(F)F)n1)c1ccc(C#N)cc1 ZINC000346644872 378659516 /nfs/dbraw/zinc/65/95/16/378659516.db2.gz BSPAUQZXVJWWHI-SNVBAGLBSA-N 1 1 276.290 3.001 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](COc3ccccc3)C2)o1 ZINC000272506211 378652803 /nfs/dbraw/zinc/65/28/03/378652803.db2.gz IACRWHAPVQCCPW-CQSZACIVSA-N 1 1 282.343 3.052 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@H](c2ccc(OC)cc2)C1 ZINC000347958822 378740775 /nfs/dbraw/zinc/74/07/75/378740775.db2.gz CIMOBUZBMSDWNG-INIZCTEOSA-N 1 1 275.392 3.077 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1OCc1ccccn1)C1CC1 ZINC000274109079 378777544 /nfs/dbraw/zinc/77/75/44/378777544.db2.gz LCNDNRLWPHBNNK-UHFFFAOYSA-N 1 1 292.382 3.258 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1OCc1ccccn1)C1CC1 ZINC000274109079 378777553 /nfs/dbraw/zinc/77/75/53/378777553.db2.gz LCNDNRLWPHBNNK-UHFFFAOYSA-N 1 1 292.382 3.258 20 30 CGEDMO C#CC[N@H+](CCCC(=O)Nc1c(C)cc(C)cc1C)C1CC1 ZINC000274172423 378787271 /nfs/dbraw/zinc/78/72/71/378787271.db2.gz NUNRPHRAVRUNNB-UHFFFAOYSA-N 1 1 298.430 3.428 20 30 CGEDMO C=CCOCCC[N@@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000348035408 378759802 /nfs/dbraw/zinc/75/98/02/378759802.db2.gz OGSZCHZQKDCNHN-RDJZCZTQSA-N 1 1 275.392 3.041 20 30 CGEDMO N#Cc1ccc(OCC[N@H+]2CC[C@H]2c2ccccc2)cc1 ZINC000348527498 378977488 /nfs/dbraw/zinc/97/74/88/378977488.db2.gz SBLKDFZRGDDYIY-SFHVURJKSA-N 1 1 278.355 3.384 20 30 CGEDMO N#Cc1cccc(OCC[N@H+]2CC[C@H]2c2ccccc2)c1 ZINC000348539402 378981276 /nfs/dbraw/zinc/98/12/76/378981276.db2.gz NDPYYVCTWWKOOT-SFHVURJKSA-N 1 1 278.355 3.384 20 30 CGEDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1CC(C)(C)CCC#N ZINC000348546432 378985011 /nfs/dbraw/zinc/98/50/11/378985011.db2.gz MTZRJWQOYJJLPA-GJZGRUSLSA-N 1 1 266.429 3.332 20 30 CGEDMO C=CC[N@@H+](C1CC1)[C@@H]1CCc2cc(OC)c(OC)cc21 ZINC000639057174 378989565 /nfs/dbraw/zinc/98/95/65/378989565.db2.gz DXPODNQIIAXOGK-OAHLLOKOSA-N 1 1 273.376 3.342 20 30 CGEDMO N#Cc1cccc(C[NH2+][C@H]2COc3c2cccc3Cl)c1 ZINC000370463359 379020936 /nfs/dbraw/zinc/02/09/36/379020936.db2.gz KCTFJJRVKHRITC-HNNXBMFYSA-N 1 1 284.746 3.435 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278736535 194129100 /nfs/dbraw/zinc/12/91/00/194129100.db2.gz LLDMJOMUODLFLQ-LLVKDONJSA-N 1 1 268.282 3.333 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000639264745 379209466 /nfs/dbraw/zinc/20/94/66/379209466.db2.gz FUQNIOYDJMEDDW-KBXCAEBGSA-N 1 1 298.386 3.036 20 30 CGEDMO C[C@H]([NH2+]C1CC(N2CCCCC2)C1)c1cccc(C#N)c1 ZINC000373525277 379293620 /nfs/dbraw/zinc/29/36/20/379293620.db2.gz YUTORKCDQBXCIJ-NNGSBXSVSA-N 1 1 283.419 3.226 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2ccc3nccnc3c2)C1 ZINC000639346136 379301295 /nfs/dbraw/zinc/30/12/95/379301295.db2.gz BUQCRIFXRKGPPZ-ZDUSSCGKSA-N 1 1 253.349 3.028 20 30 CGEDMO C#CC[N@H+](Cc1ccc(F)cc1)C[C@H]1CCSC1 ZINC000278406859 379378486 /nfs/dbraw/zinc/37/84/86/379378486.db2.gz GQADWXJEAHFJNI-CQSZACIVSA-N 1 1 263.381 3.014 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)s1 ZINC000278456012 379394967 /nfs/dbraw/zinc/39/49/67/379394967.db2.gz YYRPREHAPOFWFV-VIFPVBQESA-N 1 1 274.311 3.394 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H]1CCO[C@H]1C ZINC000639457078 379405681 /nfs/dbraw/zinc/40/56/81/379405681.db2.gz WSXIYHLKKNSQJQ-GOEBONIOSA-N 1 1 275.392 3.108 20 30 CGEDMO C[C@@H](C#N)C[N@H+](C[C@H](C)CC1CCOCC1)C1CC1 ZINC000349961050 379458202 /nfs/dbraw/zinc/45/82/02/379458202.db2.gz BAZQPPDUZRRWKS-KGLIPLIRSA-N 1 1 264.413 3.063 20 30 CGEDMO C=CCCC(=O)Nc1cccc2c1C[N@H+](C1CC1)C2 ZINC000376178396 379526292 /nfs/dbraw/zinc/52/62/92/379526292.db2.gz QHZDHMBMJFHONF-UHFFFAOYSA-N 1 1 256.349 3.069 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)Cc2cc(C)cc(C)c2)n1 ZINC000279835291 379529981 /nfs/dbraw/zinc/52/99/81/379529981.db2.gz ZXJIYAMKOWMXDM-UHFFFAOYSA-N 1 1 281.403 3.155 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)Cc2cc(C)cc(C)c2)n1 ZINC000279835291 379529993 /nfs/dbraw/zinc/52/99/93/379529993.db2.gz ZXJIYAMKOWMXDM-UHFFFAOYSA-N 1 1 281.403 3.155 20 30 CGEDMO C=CCC[N@H+](C)Cc1coc(-c2cccc(OC)c2)n1 ZINC000639608807 379505473 /nfs/dbraw/zinc/50/54/73/379505473.db2.gz IZPAMQCSCZDHEK-UHFFFAOYSA-N 1 1 272.348 3.358 20 30 CGEDMO CCCCCCCC[N@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000375932020 379517765 /nfs/dbraw/zinc/51/77/65/379517765.db2.gz MGKCRZSXFZMTGS-WMLDXEAASA-N 1 1 259.459 3.047 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639790706 379586287 /nfs/dbraw/zinc/58/62/87/379586287.db2.gz DSCNLNLWMCFOSX-HNNXBMFYSA-N 1 1 267.376 3.385 20 30 CGEDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000280366714 379689925 /nfs/dbraw/zinc/68/99/25/379689925.db2.gz UVXJDWTYPNPBDU-INIZCTEOSA-N 1 1 276.355 3.088 20 30 CGEDMO Cc1ccc2c(c1C)OC[C@@H]2[NH2+]Cc1ccc(C#N)s1 ZINC000267199375 190311067 /nfs/dbraw/zinc/31/10/67/190311067.db2.gz OFMBDZQAZPTVRU-HNNXBMFYSA-N 1 1 284.384 3.460 20 30 CGEDMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2ccc(C#N)cc2)C1 ZINC000378267927 379797427 /nfs/dbraw/zinc/79/74/27/379797427.db2.gz DJMCHXANEZAEPP-KRWDZBQOSA-N 1 1 263.344 3.157 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2oncc2C(=O)OC)CCCC1(C)C ZINC000352404625 379800423 /nfs/dbraw/zinc/80/04/23/379800423.db2.gz COSGSDXAZFNDOK-AWEZNQCLSA-N 1 1 292.379 3.028 20 30 CGEDMO CO[C@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)[C@@H](C)C1 ZINC000282377738 379907499 /nfs/dbraw/zinc/90/74/99/379907499.db2.gz OGDSWJHSPZLRSJ-NHYWBVRUSA-N 1 1 278.783 3.211 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)[C@@H](C)C1 ZINC000282377738 379907501 /nfs/dbraw/zinc/90/75/01/379907501.db2.gz OGDSWJHSPZLRSJ-NHYWBVRUSA-N 1 1 278.783 3.211 20 30 CGEDMO N#CCc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000399050255 379934161 /nfs/dbraw/zinc/93/41/61/379934161.db2.gz UYGTZZSESVPCLB-IPMKNSEASA-N 1 1 298.430 3.268 20 30 CGEDMO CC[C@]1(C)CC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000399499603 379941170 /nfs/dbraw/zinc/94/11/70/379941170.db2.gz XKTHCOLOPQCVFY-QGZVFWFLSA-N 1 1 272.392 3.449 20 30 CGEDMO CC[C@@]1(C)CC[N@@H+](Cc2ccc(C#N)c(OC)c2)C1 ZINC000399440306 379941290 /nfs/dbraw/zinc/94/12/90/379941290.db2.gz DUUIEWAGFNWEMY-INIZCTEOSA-N 1 1 258.365 3.189 20 30 CGEDMO N#Cc1csc(C[NH2+]C2(c3ccccc3)CCC2)n1 ZINC000352841695 379996443 /nfs/dbraw/zinc/99/64/43/379996443.db2.gz RZFCGQADPAIIQI-UHFFFAOYSA-N 1 1 269.373 3.184 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cnn(CCC)c1 ZINC000352995882 380068283 /nfs/dbraw/zinc/06/82/83/380068283.db2.gz ODHNQNCJERZJTH-UHFFFAOYSA-N 1 1 273.380 3.117 20 30 CGEDMO N#CC1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411216721 380136168 /nfs/dbraw/zinc/13/61/68/380136168.db2.gz FNJSLJDDTUHPIG-UHFFFAOYSA-N 1 1 297.446 3.408 20 30 CGEDMO CC[N@@H+](C)C[C@@H]1CC[NH+](CCC2(C#N)CCCCC2)C1 ZINC000411323630 380141354 /nfs/dbraw/zinc/14/13/54/380141354.db2.gz FFUZRUOXBGIKMT-INIZCTEOSA-N 1 1 277.456 3.124 20 30 CGEDMO CC[N@H+](C)C[C@@H]1CCN(CCC2(C#N)CCCCC2)C1 ZINC000411323630 380141363 /nfs/dbraw/zinc/14/13/63/380141363.db2.gz FFUZRUOXBGIKMT-INIZCTEOSA-N 1 1 277.456 3.124 20 30 CGEDMO CC[N@@H+](C)C[C@@H]1CCN(CCC2(C#N)CCCCC2)C1 ZINC000411323630 380141367 /nfs/dbraw/zinc/14/13/67/380141367.db2.gz FFUZRUOXBGIKMT-INIZCTEOSA-N 1 1 277.456 3.124 20 30 CGEDMO C[C@@H](CCC#N)[NH+]1CCN(Cc2ccc(Cl)s2)CC1 ZINC000411131877 380130226 /nfs/dbraw/zinc/13/02/26/380130226.db2.gz FTBSTEKBOJTPAO-LBPRGKRZSA-N 1 1 297.855 3.211 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)[C@H](C)C(=O)NC(C)(C)C ZINC000411202183 380134360 /nfs/dbraw/zinc/13/43/60/380134360.db2.gz UAEYLKOWTXHKMF-OAHLLOKOSA-N 1 1 288.435 3.020 20 30 CGEDMO C=CC[N@H+](C[C@H](O)COc1ccccc1SC)C(C)C ZINC000411180042 380134578 /nfs/dbraw/zinc/13/45/78/380134578.db2.gz MTLUHIWQGIEDJA-AWEZNQCLSA-N 1 1 295.448 3.045 20 30 CGEDMO C=CCC[C@@H]([NH2+]Cc1ccc2cncn2c1)C1CC1 ZINC000414163276 380195043 /nfs/dbraw/zinc/19/50/43/380195043.db2.gz FWMATVAKTCSEER-MRXNPFEDSA-N 1 1 255.365 3.169 20 30 CGEDMO C[C@H]1CC[C@@](CO)([N@@H+](C)CCC2(C#N)CCCCC2)C1 ZINC000411574541 380152148 /nfs/dbraw/zinc/15/21/48/380152148.db2.gz WEFHJIRCTUGSJG-DOTOQJQBSA-N 1 1 278.440 3.333 20 30 CGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)[C@H](C)C(C)C ZINC000642253126 380154517 /nfs/dbraw/zinc/15/45/17/380154517.db2.gz BOPQITBYTBTNEU-NVXWUHKLSA-N 1 1 291.435 3.131 20 30 CGEDMO CCC[N@@H+]1CCC[C@H]1CN[C@H](CC)c1ccc(C#N)cc1 ZINC000353986183 380265347 /nfs/dbraw/zinc/26/53/47/380265347.db2.gz HJCUDICQSUBYEE-ZWKOTPCHSA-N 1 1 285.435 3.473 20 30 CGEDMO CCC[N@H+]1CCC[C@H]1CN[C@H](CC)c1ccc(C#N)cc1 ZINC000353986183 380265351 /nfs/dbraw/zinc/26/53/51/380265351.db2.gz HJCUDICQSUBYEE-ZWKOTPCHSA-N 1 1 285.435 3.473 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000353994670 380268505 /nfs/dbraw/zinc/26/85/05/380268505.db2.gz CPNNGTHNTHSKIC-SFHVURJKSA-N 1 1 262.356 3.375 20 30 CGEDMO CC(C)(C)c1ccncc1C[NH2+]Cc1ccc(C#N)o1 ZINC000414497678 380273689 /nfs/dbraw/zinc/27/36/89/380273689.db2.gz LDCGWQDPCZGAET-UHFFFAOYSA-N 1 1 269.348 3.134 20 30 CGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000354043071 380297171 /nfs/dbraw/zinc/29/71/71/380297171.db2.gz UTXPIMQKBFULCC-ZIAGYGMSSA-N 1 1 299.418 3.253 20 30 CGEDMO CC[N@@H+](CCC1CC1)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000355064995 380572068 /nfs/dbraw/zinc/57/20/68/380572068.db2.gz RVGNEVRQYUDTJV-ZDUSSCGKSA-N 1 1 285.391 3.007 20 30 CGEDMO C=CCOCC[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000645074849 380573187 /nfs/dbraw/zinc/57/31/87/380573187.db2.gz ODVOLVPVSBMIOZ-UHFFFAOYSA-N 1 1 273.298 3.340 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)c1 ZINC000355118626 380582082 /nfs/dbraw/zinc/58/20/82/380582082.db2.gz VSDLDADCSARNDT-SJLPKXTDSA-N 1 1 287.403 3.252 20 30 CGEDMO CCn1cncc1C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000417718591 380669825 /nfs/dbraw/zinc/66/98/25/380669825.db2.gz OQERIOUAOHNDFV-AWEZNQCLSA-N 1 1 282.391 3.358 20 30 CGEDMO CC#CC[C@H](CO)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000645404107 380672281 /nfs/dbraw/zinc/67/22/81/380672281.db2.gz UYLFKNJYDFUAOU-GFCCVEGCSA-N 1 1 274.751 3.074 20 30 CGEDMO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC000355457105 380674622 /nfs/dbraw/zinc/67/46/22/380674622.db2.gz NRGHMTCEVLJPEQ-AWEZNQCLSA-N 1 1 288.391 3.086 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](O)[C@@H]1CCc1ccccc1 ZINC000646073203 380822041 /nfs/dbraw/zinc/82/20/41/380822041.db2.gz SEFWOOXSBBWRSN-DLBZAZTESA-N 1 1 259.393 3.021 20 30 CGEDMO C[C@H](CNCc1ccc(C#N)c(F)c1)[N@H+]1CCCC[C@@H]1C ZINC000421323728 380873609 /nfs/dbraw/zinc/87/36/09/380873609.db2.gz HCGZCCCLJXJLBO-UONOGXRCSA-N 1 1 289.398 3.050 20 30 CGEDMO C[C@H](C[NH2+]Cc1ccc(C#N)c(F)c1)N1CCCC[C@@H]1C ZINC000421323728 380873622 /nfs/dbraw/zinc/87/36/22/380873622.db2.gz HCGZCCCLJXJLBO-UONOGXRCSA-N 1 1 289.398 3.050 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2ccc3c(n2)CCCC3)cc1F ZINC000421376571 380918270 /nfs/dbraw/zinc/91/82/70/380918270.db2.gz DZAWMCPZDBNBSY-UHFFFAOYSA-N 1 1 295.361 3.261 20 30 CGEDMO CC[C@H]1C[C@H](C[N@@H+](C)Cc2cc(C#N)ccc2F)CCO1 ZINC000356912532 380933580 /nfs/dbraw/zinc/93/35/80/380933580.db2.gz JPFXQNJRSLHGMH-ZBFHGGJFSA-N 1 1 290.382 3.334 20 30 CGEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@@H](C)C1CCC1 ZINC000357043804 381009217 /nfs/dbraw/zinc/00/92/17/381009217.db2.gz RVLRULNLXHRROP-ZDUSSCGKSA-N 1 1 288.391 3.066 20 30 CGEDMO Cc1cc(C)c(C#N)c(NCC[N@H+](C)C2CCCCC2)n1 ZINC000357179692 381056484 /nfs/dbraw/zinc/05/64/84/381056484.db2.gz ZTCCMXQMGYZCKW-UHFFFAOYSA-N 1 1 286.423 3.247 20 30 CGEDMO C=C(CNC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000360214540 381483359 /nfs/dbraw/zinc/48/33/59/381483359.db2.gz WMDNZMBRBUZTLN-OWCLPIDISA-N 1 1 286.419 3.077 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1Cl)[C@@H]1CCOC1 ZINC000361415635 381737990 /nfs/dbraw/zinc/73/79/90/381737990.db2.gz PLQJIJJOOLHEHT-CQSZACIVSA-N 1 1 278.783 3.211 20 30 CGEDMO C=CCOCCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000361388664 381726858 /nfs/dbraw/zinc/72/68/58/381726858.db2.gz GJQAGLLVMWAMRB-XMTFNYHQSA-N 1 1 295.467 3.231 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000361525549 381786744 /nfs/dbraw/zinc/78/67/44/381786744.db2.gz NTLYZVASSZXWAQ-GDBMZVCRSA-N 1 1 267.413 3.001 20 30 CGEDMO CCCCC[C@@H]1CCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000361542615 381792889 /nfs/dbraw/zinc/79/28/89/381792889.db2.gz FECHVUYMVDGMMX-OAHLLOKOSA-N 1 1 259.397 3.441 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCC(C)(C)C1 ZINC000361471833 381762730 /nfs/dbraw/zinc/76/27/30/381762730.db2.gz VDMTXHAIYCGJHX-MRXNPFEDSA-N 1 1 299.418 3.397 20 30 CGEDMO C[N@H+](CC1(C#N)CC1)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000361597481 381827060 /nfs/dbraw/zinc/82/70/60/381827060.db2.gz YWAIMQCUZJTNPG-GHMZBOCLSA-N 1 1 260.303 3.343 20 30 CGEDMO C[N@@H+](CC1(C#N)CC1)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000361597481 381827063 /nfs/dbraw/zinc/82/70/63/381827063.db2.gz YWAIMQCUZJTNPG-GHMZBOCLSA-N 1 1 260.303 3.343 20 30 CGEDMO CC#CC[N@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000362141281 381886327 /nfs/dbraw/zinc/88/63/27/381886327.db2.gz YRZCHUMQTUGWDS-LBPRGKRZSA-N 1 1 272.323 3.170 20 30 CGEDMO C=CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000361775350 381867997 /nfs/dbraw/zinc/86/79/97/381867997.db2.gz FUSAFYBNVWUNQI-MSOLQXFVSA-N 1 1 298.430 3.041 20 30 CGEDMO COCC[N@@H+](Cc1cccc(C#N)c1F)[C@H]1CC[C@H](C)C1 ZINC000362159178 381891783 /nfs/dbraw/zinc/89/17/83/381891783.db2.gz UTHCRTUKVLSMIP-BBRMVZONSA-N 1 1 290.382 3.334 20 30 CGEDMO COCC[N@@H+](CCCC(C)(C)C#N)[C@@H]1CC[C@@H](C)C1 ZINC000362163560 381893776 /nfs/dbraw/zinc/89/37/76/381893776.db2.gz PEHLLAAAOQEPCU-HUUCEWRRSA-N 1 1 266.429 3.453 20 30 CGEDMO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2cc(C#N)ccc2F)C1(C)C ZINC000362439798 381991996 /nfs/dbraw/zinc/99/19/96/381991996.db2.gz PFINAUFEIDNQBB-NVXWUHKLSA-N 1 1 290.382 3.333 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC(=O)N1c2ccccc2CC[C@@H]1C ZINC000302919713 542415745 /nfs/dbraw/zinc/41/57/45/542415745.db2.gz YXGBEKGDVZGNMN-HNNXBMFYSA-N 1 1 286.419 3.252 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)N1c2ccccc2CC[C@@H]1C ZINC000302919713 542415750 /nfs/dbraw/zinc/41/57/50/542415750.db2.gz YXGBEKGDVZGNMN-HNNXBMFYSA-N 1 1 286.419 3.252 20 30 CGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](C3CC3)C2)cc1 ZINC000329658948 542447397 /nfs/dbraw/zinc/44/73/97/542447397.db2.gz NXEVLGCZTQGBQL-MRXNPFEDSA-N 1 1 297.402 3.009 20 30 CGEDMO C=CCCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000310730259 262172006 /nfs/dbraw/zinc/17/20/06/262172006.db2.gz BURATJAAUCNANI-MQVJKMGUSA-N 1 1 250.430 3.338 20 30 CGEDMO CC[C@](C)(O)C[N@@H+](CCCCC#N)Cc1ccccc1 ZINC000189740696 262175524 /nfs/dbraw/zinc/17/55/24/262175524.db2.gz ATVMVLFIZDCGRD-KRWDZBQOSA-N 1 1 274.408 3.343 20 30 CGEDMO CCCCCCCCC[N@H+]1CCn2c(C)nnc2C1 ZINC000365235822 262353561 /nfs/dbraw/zinc/35/35/61/262353561.db2.gz ZBBROCRBRLIDDN-UHFFFAOYSA-N 1 1 264.417 3.153 20 30 CGEDMO CC(C)(C#N)CCCC[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000336806142 262395577 /nfs/dbraw/zinc/39/55/77/262395577.db2.gz HYIUIKCWSPEDOD-CQSZACIVSA-N 1 1 264.413 3.207 20 30 CGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC(C)(C)C[C@H]1C ZINC000412046198 533503169 /nfs/dbraw/zinc/50/31/69/533503169.db2.gz QQSANWMKXYLPOZ-CYBMUJFWSA-N 1 1 288.391 3.066 20 30 CGEDMO C[N@@H+](CCOc1ccc(C#N)cc1)CCc1ccccc1 ZINC000051999254 392076363 /nfs/dbraw/zinc/07/63/63/392076363.db2.gz LYKUGUMWOUOXDO-UHFFFAOYSA-N 1 1 280.371 3.112 20 30 CGEDMO CCC(C)(C)[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000069433577 392174450 /nfs/dbraw/zinc/17/44/50/392174450.db2.gz IZZANDQLPAMZAF-UHFFFAOYSA-N 1 1 260.381 3.448 20 30 CGEDMO C=CCCCCC[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000285644297 392329764 /nfs/dbraw/zinc/32/97/64/392329764.db2.gz OORCKGFQICDMIN-UHFFFAOYSA-N 1 1 259.397 3.256 20 30 CGEDMO C=CCN1CCC([NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000237459045 131033189 /nfs/dbraw/zinc/03/31/89/131033189.db2.gz PLEGYQBQXGCIIB-CZUORRHYSA-N 1 1 274.408 3.143 20 30 CGEDMO C=CCCC[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000286213280 392379158 /nfs/dbraw/zinc/37/91/58/392379158.db2.gz YLBAQNYYUNTCQH-KURKYZTESA-N 1 1 271.404 3.457 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(C)c1 ZINC000121166624 392411384 /nfs/dbraw/zinc/41/13/84/392411384.db2.gz BPLKOJKKJBZJIO-AWEZNQCLSA-N 1 1 260.381 3.220 20 30 CGEDMO Cc1cccc(NC2CC[NH+](C[C@H](C#N)CCC#N)CC2)c1 ZINC000125680822 392440844 /nfs/dbraw/zinc/44/08/44/392440844.db2.gz TXGJJKDCLRTTBE-INIZCTEOSA-N 1 1 296.418 3.315 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000367076002 392468915 /nfs/dbraw/zinc/46/89/15/392468915.db2.gz YTRUEUYIWFWZCA-MRXNPFEDSA-N 1 1 290.794 3.214 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000367076002 392468923 /nfs/dbraw/zinc/46/89/23/392468923.db2.gz YTRUEUYIWFWZCA-MRXNPFEDSA-N 1 1 290.794 3.214 20 30 CGEDMO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1cccc(Cl)c1 ZINC000121004294 392406245 /nfs/dbraw/zinc/40/62/45/392406245.db2.gz SOOIWWSJTBQIEJ-NEPJUHHUSA-N 1 1 261.756 3.434 20 30 CGEDMO C=C(C)CN1CCC([NH2+][C@H](C)c2cccnc2Cl)CC1 ZINC000152977530 392509991 /nfs/dbraw/zinc/50/99/91/392509991.db2.gz ZMAYGSIXWWWVSO-CYBMUJFWSA-N 1 1 293.842 3.426 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC2(C1)CCCCC2 ZINC000303930591 392627540 /nfs/dbraw/zinc/62/75/40/392627540.db2.gz QNSMDBZXCYJELL-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO Cn1cccc1[C@@H]1CCCC[N@H+]1CCCSCC#N ZINC000175138071 392648883 /nfs/dbraw/zinc/64/88/83/392648883.db2.gz WJQZXGVQPHKSMY-HNNXBMFYSA-N 1 1 277.437 3.199 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000181275873 392726022 /nfs/dbraw/zinc/72/60/22/392726022.db2.gz SEFRJIZUCGPFGU-ZDUSSCGKSA-N 1 1 287.325 3.117 20 30 CGEDMO Cc1cncc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2F)c1 ZINC000184348279 392763644 /nfs/dbraw/zinc/76/36/44/392763644.db2.gz QTZVEIZAZXIWHS-GFCCVEGCSA-N 1 1 269.323 3.252 20 30 CGEDMO Cc1cc([C@@H](C)[NH2+]C[C@@H](C#N)CCC#N)c(C)s1 ZINC000179371849 392700733 /nfs/dbraw/zinc/70/07/33/392700733.db2.gz WNPWRPAJDBJOID-DGCLKSJQSA-N 1 1 261.394 3.459 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCCN(c3ccccc3F)CC2)C1 ZINC000334325075 392720588 /nfs/dbraw/zinc/72/05/88/392720588.db2.gz FWMGOEFVMONSEN-HUUCEWRRSA-N 1 1 287.382 3.030 20 30 CGEDMO N#C[C@H]1CC[C@@H]([N@H+]2CCCN(c3ccccc3F)CC2)C1 ZINC000334325078 392720950 /nfs/dbraw/zinc/72/09/50/392720950.db2.gz FWMGOEFVMONSEN-LSDHHAIUSA-N 1 1 287.382 3.030 20 30 CGEDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1ccc(C#N)cc1OC ZINC000185656378 392773848 /nfs/dbraw/zinc/77/38/48/392773848.db2.gz LRLFIAWXXITMRB-IUODEOHRSA-N 1 1 258.365 3.187 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+](Cc1cccnc1)C1CC1 ZINC000186314080 392783141 /nfs/dbraw/zinc/78/31/41/392783141.db2.gz GKENUCIXVPDSSU-UHFFFAOYSA-N 1 1 277.371 3.426 20 30 CGEDMO N#Cc1ccc(OCC[NH2+]C2(C(F)F)CCCCC2)cc1 ZINC000510168352 392788897 /nfs/dbraw/zinc/78/88/97/392788897.db2.gz ICAIINCSPNOTJN-UHFFFAOYSA-N 1 1 294.345 3.495 20 30 CGEDMO CCOC(=O)C1CCC([N@@H+](CC)CCCCC#N)CC1 ZINC000338366689 392912695 /nfs/dbraw/zinc/91/26/95/392912695.db2.gz CCLGYQSLOGUVPF-UHFFFAOYSA-N 1 1 280.412 3.124 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000336451432 392856328 /nfs/dbraw/zinc/85/63/28/392856328.db2.gz FPTJRUDWQVQOIX-RHSMWYFYSA-N 1 1 294.402 3.232 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cnn(-c2ccccc2C)c1 ZINC000648021879 392874265 /nfs/dbraw/zinc/87/42/65/392874265.db2.gz PJRDPHRGXNTJQV-UHFFFAOYSA-N 1 1 255.365 3.189 20 30 CGEDMO C[C@@H]1Cc2ccccc2C[N@H+]1CCOc1ccc(C#N)cc1 ZINC000525640492 392944671 /nfs/dbraw/zinc/94/46/71/392944671.db2.gz KVQKOAWHNGTDTA-OAHLLOKOSA-N 1 1 292.382 3.384 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](Oc3ccccc3)C2)C1 ZINC000338997594 392939003 /nfs/dbraw/zinc/93/90/03/392939003.db2.gz PJQXOBFQGCZPJT-BFYDXBDKSA-N 1 1 270.376 3.222 20 30 CGEDMO N#CCCOCC[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000339027733 392941197 /nfs/dbraw/zinc/94/11/97/392941197.db2.gz QXAWXNBNIVKKBC-KRWDZBQOSA-N 1 1 270.376 3.069 20 30 CGEDMO C[C@@H]1CC[C@@H](C)[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459371558 392941486 /nfs/dbraw/zinc/94/14/86/392941486.db2.gz YJGZSRGRGIMSEI-VXGBXAGGSA-N 1 1 273.336 3.087 20 30 CGEDMO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459371558 392941496 /nfs/dbraw/zinc/94/14/96/392941496.db2.gz YJGZSRGRGIMSEI-VXGBXAGGSA-N 1 1 273.336 3.087 20 30 CGEDMO CC(C)[C@H]1CCCC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459373613 392941509 /nfs/dbraw/zinc/94/15/09/392941509.db2.gz LAJATEYEFJJQFB-OAHLLOKOSA-N 1 1 287.363 3.477 20 30 CGEDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411670675 392984549 /nfs/dbraw/zinc/98/45/49/392984549.db2.gz LGMJVFMBSQIKLZ-CVEARBPZSA-N 1 1 278.440 3.476 20 30 CGEDMO C[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)C[C@@H](C2CC2)O1 ZINC000411656876 392984717 /nfs/dbraw/zinc/98/47/17/392984717.db2.gz DICLVGUSXYKTDH-ZBFHGGJFSA-N 1 1 276.424 3.350 20 30 CGEDMO N#CC1(F)CC[NH+]([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411715127 392986606 /nfs/dbraw/zinc/98/66/06/392986606.db2.gz BBGZIWRMMKTEPR-UONOGXRCSA-N 1 1 262.303 3.009 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412076613 392995593 /nfs/dbraw/zinc/99/55/93/392995593.db2.gz SORLKOYNIOSXAO-HNNXBMFYSA-N 1 1 297.439 3.023 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCc2ccc(O)cc2C1 ZINC000533394410 392996222 /nfs/dbraw/zinc/99/62/22/392996222.db2.gz ONPVDQMAWFLGEQ-ZDUSSCGKSA-N 1 1 278.355 3.383 20 30 CGEDMO Cc1ccc(OC2CC[NH+](CC3(C#N)CC3)CC2)cc1C ZINC000343152604 393019753 /nfs/dbraw/zinc/01/97/53/393019753.db2.gz WIFURGBVJVNNMJ-UHFFFAOYSA-N 1 1 284.403 3.450 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)N1CCCCC1 ZINC000346272438 393082287 /nfs/dbraw/zinc/08/22/87/393082287.db2.gz HITWLFOMERNELV-AWEZNQCLSA-N 1 1 292.448 3.137 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)N1CCCCC1 ZINC000346272438 393082295 /nfs/dbraw/zinc/08/22/95/393082295.db2.gz HITWLFOMERNELV-AWEZNQCLSA-N 1 1 292.448 3.137 20 30 CGEDMO CC(=O)c1ccc2c(c1)CC[N@H+](CCC(C)(C)C#N)CC2 ZINC000345733316 393066370 /nfs/dbraw/zinc/06/63/70/393066370.db2.gz VSNGMAMWOWYDCU-UHFFFAOYSA-N 1 1 284.403 3.230 20 30 CGEDMO N#Cc1cccc(C2([NH2+]Cc3cnc(C4CC4)nc3)CC2)c1 ZINC000582346152 542766935 /nfs/dbraw/zinc/76/69/35/542766935.db2.gz FBTIBXDYZPXKAL-UHFFFAOYSA-N 1 1 290.370 3.005 20 30 CGEDMO Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(F)(C#N)CC2)cc1 ZINC000348713544 393129588 /nfs/dbraw/zinc/12/95/88/393129588.db2.gz LKYGVBKYDBIXHE-UHFFFAOYSA-N 1 1 298.365 3.213 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](O)C2)cc1Cl ZINC000349360369 393146417 /nfs/dbraw/zinc/14/64/17/393146417.db2.gz AIOWEFFSTCQBCC-WFASDCNBSA-N 1 1 295.810 3.108 20 30 CGEDMO C=CCOc1ccc(CN[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000353935651 393235631 /nfs/dbraw/zinc/23/56/31/393235631.db2.gz XOQDWQNTYDVFEZ-MAUKXSAKSA-N 1 1 288.435 3.071 20 30 CGEDMO C=CCOc1ccc(CN[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000353935651 393235636 /nfs/dbraw/zinc/23/56/36/393235636.db2.gz XOQDWQNTYDVFEZ-MAUKXSAKSA-N 1 1 288.435 3.071 20 30 CGEDMO C=CCOc1ccc(C[NH2+][C@@H]2CCN(CC)C[C@@H]2C)cc1 ZINC000353935651 393235640 /nfs/dbraw/zinc/23/56/40/393235640.db2.gz XOQDWQNTYDVFEZ-MAUKXSAKSA-N 1 1 288.435 3.071 20 30 CGEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(CO)cc1 ZINC000272342923 393262005 /nfs/dbraw/zinc/26/20/05/393262005.db2.gz OYZVFPIKSVEQMJ-UHFFFAOYSA-N 1 1 294.398 3.461 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000648852998 393274241 /nfs/dbraw/zinc/27/42/41/393274241.db2.gz JMVIDGPGLIULKA-KBPBESRZSA-N 1 1 277.412 3.258 20 30 CGEDMO C[N@H+](CCCCc1ccccc1)Cc1nc(C#N)cs1 ZINC000356054910 393353076 /nfs/dbraw/zinc/35/30/76/393353076.db2.gz BWFMWMVGNVSDRR-UHFFFAOYSA-N 1 1 285.416 3.469 20 30 CGEDMO C[N@@H+](CCCCc1ccccc1)Cc1nc(C#N)cs1 ZINC000356054910 393353081 /nfs/dbraw/zinc/35/30/81/393353081.db2.gz BWFMWMVGNVSDRR-UHFFFAOYSA-N 1 1 285.416 3.469 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H](O)C1CCCCC1 ZINC000475047160 393369020 /nfs/dbraw/zinc/36/90/20/393369020.db2.gz KKMFQKTYKBLHIO-LJQANCHMSA-N 1 1 298.430 3.487 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000649406420 393412718 /nfs/dbraw/zinc/41/27/18/393412718.db2.gz KZXABHGGFFDWCH-MRXNPFEDSA-N 1 1 277.795 3.366 20 30 CGEDMO C=C(C)[C@@H](CO)[N@@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000649406420 393412721 /nfs/dbraw/zinc/41/27/21/393412721.db2.gz KZXABHGGFFDWCH-MRXNPFEDSA-N 1 1 277.795 3.366 20 30 CGEDMO C[N@H+](Cc1nc(C#N)cs1)CC1(c2ccccc2)CC1 ZINC000356402681 393436263 /nfs/dbraw/zinc/43/62/63/393436263.db2.gz ZBSNCSMFEZTXQK-UHFFFAOYSA-N 1 1 283.400 3.178 20 30 CGEDMO C[N@@H+](Cc1nc(C#N)cs1)CC1(c2ccccc2)CC1 ZINC000356402681 393436265 /nfs/dbraw/zinc/43/62/65/393436265.db2.gz ZBSNCSMFEZTXQK-UHFFFAOYSA-N 1 1 283.400 3.178 20 30 CGEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@@H]1CC[C@@H](C)C1 ZINC000429567405 393481265 /nfs/dbraw/zinc/48/12/65/393481265.db2.gz XMENNIGFTKPGJI-UKRRQHHQSA-N 1 1 288.391 3.066 20 30 CGEDMO Cn1cccc1C[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597014730 542772010 /nfs/dbraw/zinc/77/20/10/542772010.db2.gz QXFUDNMVTHHVGC-UHFFFAOYSA-N 1 1 279.387 3.212 20 30 CGEDMO Cc1cccc(C[N@@H+](C)Cc2ccc(C#N)c(C)c2)n1 ZINC000488164629 393466101 /nfs/dbraw/zinc/46/61/01/393466101.db2.gz BGSKPDXOKRZSEJ-UHFFFAOYSA-N 1 1 265.360 3.202 20 30 CGEDMO Cc1csc([C@@H](C)[NH2+]Cc2ccc(C#N)c(C)c2)n1 ZINC000488308994 393484674 /nfs/dbraw/zinc/48/46/74/393484674.db2.gz CUTDPPLUPIAOSB-GFCCVEGCSA-N 1 1 271.389 3.482 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H](N2CCCC2)[C@@H](SC)C1 ZINC000488318156 393486400 /nfs/dbraw/zinc/48/64/00/393486400.db2.gz UURBVQSDAULYAK-CVEARBPZSA-N 1 1 282.497 3.244 20 30 CGEDMO C=CCCCCCN1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000488318156 393486407 /nfs/dbraw/zinc/48/64/07/393486407.db2.gz UURBVQSDAULYAK-CVEARBPZSA-N 1 1 282.497 3.244 20 30 CGEDMO Cc1cc(C[N@H+]2CCOC3(CCCCC3)C2)ccc1C#N ZINC000488467122 393524550 /nfs/dbraw/zinc/52/45/50/393524550.db2.gz WQDMKARUWYQTPJ-UHFFFAOYSA-N 1 1 284.403 3.402 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000361058770 393660650 /nfs/dbraw/zinc/66/06/50/393660650.db2.gz QNVLXRQNERHGCL-GJZGRUSLSA-N 1 1 284.403 3.152 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1Cc2ccccc2[C@@H]1C ZINC000361058770 393660653 /nfs/dbraw/zinc/66/06/53/393660653.db2.gz QNVLXRQNERHGCL-GJZGRUSLSA-N 1 1 284.403 3.152 20 30 CGEDMO C=CCOCCC[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425535266 393697990 /nfs/dbraw/zinc/69/79/90/393697990.db2.gz NDNOASQROZOTEX-AWEZNQCLSA-N 1 1 258.365 3.144 20 30 CGEDMO Cc1cc(CNC[C@H](C)[NH+]2CCC(C)CC2)ccc1C#N ZINC000443989464 393780356 /nfs/dbraw/zinc/78/03/56/393780356.db2.gz RFAGJZGEPSBREZ-INIZCTEOSA-N 1 1 285.435 3.077 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2cc(C#N)n(C)c2)CCCC1(C)C ZINC000446829508 393862558 /nfs/dbraw/zinc/86/25/58/393862558.db2.gz IPWXCCZMJQMGBV-INIZCTEOSA-N 1 1 271.408 3.463 20 30 CGEDMO CCc1ncc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)o1 ZINC000453400639 394233660 /nfs/dbraw/zinc/23/36/60/394233660.db2.gz YRUIGYRKWHTVHH-JTQLQIEISA-N 1 1 273.311 3.099 20 30 CGEDMO C=CCN(Cc1c[nH+]c2n1CCC2)Cc1ccccc1F ZINC000667544239 542886883 /nfs/dbraw/zinc/88/68/83/542886883.db2.gz APBIWCAGDGREFU-UHFFFAOYSA-N 1 1 285.366 3.157 20 30 CGEDMO C=CC[N@H+](Cc1cncc(Br)c1C)C1CC1 ZINC000667982458 542953095 /nfs/dbraw/zinc/95/30/95/542953095.db2.gz HIYLBQAAIZTLMV-UHFFFAOYSA-N 1 1 281.197 3.303 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000171530824 335069058 /nfs/dbraw/zinc/06/90/58/335069058.db2.gz DHHCWSGIDZHGBA-UHFFFAOYSA-N 1 1 288.819 3.070 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000668492452 543020265 /nfs/dbraw/zinc/02/02/65/543020265.db2.gz BDIUULKFTPUCML-CYBMUJFWSA-N 1 1 261.413 3.495 20 30 CGEDMO CCO[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000674251222 543277005 /nfs/dbraw/zinc/27/70/05/543277005.db2.gz ODCULFBIHPBHQL-INIZCTEOSA-N 1 1 277.795 3.192 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000677047483 543427740 /nfs/dbraw/zinc/42/77/40/543427740.db2.gz BYSXPYOBXCLRGU-ZBFHGGJFSA-N 1 1 277.433 3.038 20 30 CGEDMO CCC#C[C@H](C)[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000677476173 543450493 /nfs/dbraw/zinc/45/04/93/543450493.db2.gz KPKCXUMNKRAQEP-HNNXBMFYSA-N 1 1 267.376 3.106 20 30 CGEDMO CCC#C[C@H](C)[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000677476173 543450494 /nfs/dbraw/zinc/45/04/94/543450494.db2.gz KPKCXUMNKRAQEP-HNNXBMFYSA-N 1 1 267.376 3.106 20 30 CGEDMO CCC#C[C@@H](C)[N@H+](C)Cc1ccc(Br)o1 ZINC000677802605 543466428 /nfs/dbraw/zinc/46/64/28/543466428.db2.gz UZOLTWVHUCOWMK-SNVBAGLBSA-N 1 1 270.170 3.276 20 30 CGEDMO CCC#C[C@@H](C)[N@@H+](C)Cc1ccc(Br)o1 ZINC000677802605 543466430 /nfs/dbraw/zinc/46/64/30/543466430.db2.gz UZOLTWVHUCOWMK-SNVBAGLBSA-N 1 1 270.170 3.276 20 30 CGEDMO COCC#CC[N@@H+](CCc1ccccc1)C1CCCC1 ZINC000677817760 543467066 /nfs/dbraw/zinc/46/70/66/543467066.db2.gz BDRCEEJMJWPWGC-UHFFFAOYSA-N 1 1 271.404 3.124 20 30 CGEDMO CCCC[N@@H+](CC#CCOC)[C@H](C)c1ccc(C)o1 ZINC000677818942 543468168 /nfs/dbraw/zinc/46/81/68/543468168.db2.gz YQSDYNRJBUTGAZ-OAHLLOKOSA-N 1 1 263.381 3.401 20 30 CGEDMO CCC#C[C@@H](C)[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000678049596 543479118 /nfs/dbraw/zinc/47/91/18/543479118.db2.gz MIJSBQYKZHFHDN-WBVHZDCISA-N 1 1 257.377 3.036 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000678049596 543479120 /nfs/dbraw/zinc/47/91/20/543479120.db2.gz MIJSBQYKZHFHDN-WBVHZDCISA-N 1 1 257.377 3.036 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](CC)C[C@@H]2CCOC2)c1 ZINC000678151518 543488546 /nfs/dbraw/zinc/48/85/46/543488546.db2.gz NPRSMXJKNQCJFG-INIZCTEOSA-N 1 1 275.392 3.110 20 30 CGEDMO CC[C@@H]1CCC[N@@H+](CCOc2ccccc2C#N)CC1 ZINC000079054500 287053610 /nfs/dbraw/zinc/05/36/10/287053610.db2.gz KULZCMBWBOFQJJ-OAHLLOKOSA-N 1 1 272.392 3.449 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCOC3(CCCCC3)C2)c1 ZINC000075832007 165103962 /nfs/dbraw/zinc/10/39/62/165103962.db2.gz JUYJUFMBCZFDBS-UHFFFAOYSA-N 1 1 270.376 3.093 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCOC3(CCCCC3)C2)c1 ZINC000075832007 165103963 /nfs/dbraw/zinc/10/39/63/165103963.db2.gz JUYJUFMBCZFDBS-UHFFFAOYSA-N 1 1 270.376 3.093 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCOC2(CCCC2)C1 ZINC000268967064 287131256 /nfs/dbraw/zinc/13/12/56/287131256.db2.gz HGMYVHMYGZJKQP-AWEZNQCLSA-N 1 1 270.376 3.264 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+](C)[C@H](C)c1cccc(O)c1 ZINC000121294615 287196263 /nfs/dbraw/zinc/19/62/63/287196263.db2.gz AZINFFFACOJUFO-CYBMUJFWSA-N 1 1 296.370 3.465 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@H](C)c1cccc(O)c1 ZINC000121294615 287196264 /nfs/dbraw/zinc/19/62/64/287196264.db2.gz AZINFFFACOJUFO-CYBMUJFWSA-N 1 1 296.370 3.465 20 30 CGEDMO C=CC[N@@H+](Cc1cn(C)nc1CC)Cc1cccc(C#N)c1 ZINC000179856460 416518395 /nfs/dbraw/zinc/51/83/95/416518395.db2.gz JYNQRRZSBBIPRK-UHFFFAOYSA-N 1 1 294.402 3.042 20 30 CGEDMO C=CC[N@H+](Cc1cn(C)nc1CC)Cc1cccc(C#N)c1 ZINC000179856460 416518400 /nfs/dbraw/zinc/51/84/00/416518400.db2.gz JYNQRRZSBBIPRK-UHFFFAOYSA-N 1 1 294.402 3.042 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(F)c(Cl)c1 ZINC000343605996 224792924 /nfs/dbraw/zinc/79/29/24/224792924.db2.gz LPNCXGGPRMAIOM-SECBINFHSA-N 1 1 252.720 3.433 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000679540442 543643604 /nfs/dbraw/zinc/64/36/04/543643604.db2.gz MCVMYAXMGDZDGW-HZPDHXFCSA-N 1 1 257.377 3.189 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000680108861 543685630 /nfs/dbraw/zinc/68/56/30/543685630.db2.gz KPRHOWZUPLGGOM-CJNGLKHVSA-N 1 1 261.340 3.081 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000681404506 543786705 /nfs/dbraw/zinc/78/67/05/543786705.db2.gz RTBKHUWYJUGUET-QGZVFWFLSA-N 1 1 258.409 3.159 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@H](C(C)(C)C)C2)cc1C#N ZINC000131348373 287377061 /nfs/dbraw/zinc/37/70/61/287377061.db2.gz NUQOKBOMZJTELU-HNNXBMFYSA-N 1 1 272.392 3.435 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+]1C[C@H](c2ccc(C)cc2)C[C@H]1C ZINC000683800296 543943024 /nfs/dbraw/zinc/94/30/24/543943024.db2.gz KMPVUOCTZQNISC-OIISXLGYSA-N 1 1 259.393 3.110 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2cc(F)ccc2F)s1 ZINC000135691094 287474208 /nfs/dbraw/zinc/47/42/08/287474208.db2.gz PCUKHSUQOMTVNV-UHFFFAOYSA-N 1 1 264.300 3.188 20 30 CGEDMO N#C[C@@H]1CC[C@H]([NH2+]Cc2c(F)cc(F)c(F)c2F)C1 ZINC000336632832 227225126 /nfs/dbraw/zinc/22/51/26/227225126.db2.gz JMOJUOGXCVUCIG-SFYZADRCSA-N 1 1 272.245 3.025 20 30 CGEDMO Cc1cc(C)c(C[NH2+]Cc2nc(C#N)cs2)c(C)c1 ZINC000352834998 227310791 /nfs/dbraw/zinc/31/07/91/227310791.db2.gz NFPWHMFPDQLVFA-UHFFFAOYSA-N 1 1 271.389 3.230 20 30 CGEDMO C=CCCn1cc(C[N@H+]2CCC[C@H]2c2ccc(C)cc2)nn1 ZINC000653474327 419032436 /nfs/dbraw/zinc/03/24/36/419032436.db2.gz KIOQCBGOXMSJLB-SFHVURJKSA-N 1 1 296.418 3.500 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CCC[C@H]2c2ccc(C)cc2)nn1 ZINC000653474327 419032441 /nfs/dbraw/zinc/03/24/41/419032441.db2.gz KIOQCBGOXMSJLB-SFHVURJKSA-N 1 1 296.418 3.500 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CC[C@H](C)[C@@H]3CCCC[C@H]32)nn1 ZINC000653493476 419038461 /nfs/dbraw/zinc/03/84/61/419038461.db2.gz XRSLCAPIVKIWPC-BHYGNILZSA-N 1 1 288.439 3.255 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000659939875 419039266 /nfs/dbraw/zinc/03/92/66/419039266.db2.gz CBXGTIHAGHFDRJ-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cc(OC)ns1 ZINC000659946009 419042523 /nfs/dbraw/zinc/04/25/23/419042523.db2.gz DGQPOVPUYXYTES-UHFFFAOYSA-N 1 1 254.399 3.330 20 30 CGEDMO C=CCCn1cc(C[N@H+]([C@@H](C)[C@@H](C)CC)C2CC2)nn1 ZINC000653547387 419045363 /nfs/dbraw/zinc/04/53/63/419045363.db2.gz JJJJTKHRBRTWGW-KBPBESRZSA-N 1 1 276.428 3.253 20 30 CGEDMO C=CCCC(C)(C)NC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000665269841 419097078 /nfs/dbraw/zinc/09/70/78/419097078.db2.gz NSKPPPOMQQUROD-LSDHHAIUSA-N 1 1 293.455 3.047 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@H](CC)c2ccccc2)nn1 ZINC000653599328 419058367 /nfs/dbraw/zinc/05/83/67/419058367.db2.gz ITPBWXYJDBTUFV-MRXNPFEDSA-N 1 1 270.380 3.095 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000660430939 419142986 /nfs/dbraw/zinc/14/29/86/419142986.db2.gz XMGKRPIBRFGNBI-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](Cc1nsc2ccccc21)[C@H](C)COC ZINC000661239368 419243553 /nfs/dbraw/zinc/24/35/53/419243553.db2.gz GAXSTAJOCOVWHC-GFCCVEGCSA-N 1 1 276.405 3.319 20 30 CGEDMO C=CC[N@@H+](Cc1nsc2ccccc21)[C@H](C)COC ZINC000661239368 419243555 /nfs/dbraw/zinc/24/35/55/419243555.db2.gz GAXSTAJOCOVWHC-GFCCVEGCSA-N 1 1 276.405 3.319 20 30 CGEDMO C=CC[N@H+](Cc1cnc(-c2ccccc2)nc1)[C@@H](C)COC ZINC000661242895 419244047 /nfs/dbraw/zinc/24/40/47/419244047.db2.gz VGPHRRMQRWGUKE-HNNXBMFYSA-N 1 1 297.402 3.167 20 30 CGEDMO C=CC[N@@H+](Cc1cnc(-c2ccccc2)nc1)[C@@H](C)COC ZINC000661242895 419244049 /nfs/dbraw/zinc/24/40/49/419244049.db2.gz VGPHRRMQRWGUKE-HNNXBMFYSA-N 1 1 297.402 3.167 20 30 CGEDMO C=CC[N@@H+](Cc1cc(C)ccc1OC)[C@@H](C)COC ZINC000661246239 419244146 /nfs/dbraw/zinc/24/41/46/419244146.db2.gz HDSHOMCFXBZFCS-AWEZNQCLSA-N 1 1 263.381 3.027 20 30 CGEDMO C=CC[N@H+](Cc1coc(-c2ccccc2)n1)[C@H](C)COC ZINC000661247095 419244308 /nfs/dbraw/zinc/24/43/08/419244308.db2.gz MHQFLVUULXELFP-CQSZACIVSA-N 1 1 286.375 3.365 20 30 CGEDMO C=CC[N@@H+](Cc1coc(-c2ccccc2)n1)[C@H](C)COC ZINC000661247095 419244310 /nfs/dbraw/zinc/24/43/10/419244310.db2.gz MHQFLVUULXELFP-CQSZACIVSA-N 1 1 286.375 3.365 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(F)ccc2F)C1 ZINC000661378753 419255193 /nfs/dbraw/zinc/25/51/93/419255193.db2.gz LQVYNMRFLIJFOJ-GFCCVEGCSA-N 1 1 294.345 3.191 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)Nc2cc(F)ccc2F)C1 ZINC000661378753 419255195 /nfs/dbraw/zinc/25/51/95/419255195.db2.gz LQVYNMRFLIJFOJ-GFCCVEGCSA-N 1 1 294.345 3.191 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@H](C)c2nc(-c3cccnc3)no2)C1 ZINC000661378840 419255469 /nfs/dbraw/zinc/25/54/69/419255469.db2.gz MZRBJCZLFZNOGJ-ZIAGYGMSSA-N 1 1 298.390 3.481 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CCCOCC(F)(F)F)C1 ZINC000661379066 419256100 /nfs/dbraw/zinc/25/61/00/419256100.db2.gz RVHLWMHYHKFVPQ-GFCCVEGCSA-N 1 1 265.319 3.244 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2nnc(C3CC3)n2C2CC2)C1 ZINC000661386337 419256415 /nfs/dbraw/zinc/25/64/15/419256415.db2.gz RWJUQKBWABWIML-CYBMUJFWSA-N 1 1 286.423 3.279 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2nnc(C3CC3)n2C2CC2)C1 ZINC000661386337 419256418 /nfs/dbraw/zinc/25/64/18/419256418.db2.gz RWJUQKBWABWIML-CYBMUJFWSA-N 1 1 286.423 3.279 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000661385391 419257043 /nfs/dbraw/zinc/25/70/43/419257043.db2.gz OHFPZCYJMPSVBP-CYBMUJFWSA-N 1 1 255.365 3.351 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000656786857 419219675 /nfs/dbraw/zinc/21/96/75/419219675.db2.gz BQFPPUSLGBOBMR-CQSZACIVSA-N 1 1 256.393 3.443 20 30 CGEDMO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nnsc1Cl ZINC000661118632 419232835 /nfs/dbraw/zinc/23/28/35/419232835.db2.gz IKGFDZMZWGVMJA-UWVGGRQHSA-N 1 1 271.817 3.416 20 30 CGEDMO C=CC[N@@H+](C[C@H](O)COc1ccccc1Cl)C(C)(C)C ZINC000661755672 419294892 /nfs/dbraw/zinc/29/48/92/419294892.db2.gz XPGFIDACLBCTPI-ZDUSSCGKSA-N 1 1 297.826 3.366 20 30 CGEDMO C=CC[N@H+](CCCS(=O)(=O)c1ccccc1)C(C)(C)C ZINC000661756048 419295055 /nfs/dbraw/zinc/29/50/55/419295055.db2.gz ATWNUWCOCSCUQO-UHFFFAOYSA-N 1 1 295.448 3.137 20 30 CGEDMO C=CC[N@H+](CC(=O)N1[C@H](C)CCC[C@H]1C)C(C)(C)C ZINC000661755922 419295355 /nfs/dbraw/zinc/29/53/55/419295355.db2.gz VFMJDXRYKARFNS-ZIAGYGMSSA-N 1 1 266.429 3.062 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000662083007 419333337 /nfs/dbraw/zinc/33/33/37/419333337.db2.gz ZCNYDKHBMAVTHS-ZOFXXKQRSA-N 1 1 290.451 3.347 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)N(C)c1ccccc1 ZINC000662082942 419333742 /nfs/dbraw/zinc/33/37/42/419333742.db2.gz YPFAEWYNRBUDMZ-OIISXLGYSA-N 1 1 284.403 3.221 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccc(C)cc1 ZINC000662083283 419333771 /nfs/dbraw/zinc/33/37/71/419333771.db2.gz BFMYLCFUPBHXDH-IYBDPMFKSA-N 1 1 270.376 3.117 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCCn1ccnc1C ZINC000662087942 419334527 /nfs/dbraw/zinc/33/45/27/419334527.db2.gz QMSAAHDIHRJTMZ-IYBDPMFKSA-N 1 1 259.397 3.155 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000662089405 419334659 /nfs/dbraw/zinc/33/46/59/419334659.db2.gz XWJRKEKAGFRMFZ-DZJNRPSUSA-N 1 1 271.404 3.334 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnc(C2CC2)s1 ZINC000662088617 419334718 /nfs/dbraw/zinc/33/47/18/419334718.db2.gz KOSBLDWOFRSYLB-TXEJJXNPSA-N 1 1 261.394 3.099 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnc(C2CC2)s1 ZINC000662088617 419334719 /nfs/dbraw/zinc/33/47/19/419334719.db2.gz KOSBLDWOFRSYLB-TXEJJXNPSA-N 1 1 261.394 3.099 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCn1c2ccccc2[nH]c1=O ZINC000662085600 419334739 /nfs/dbraw/zinc/33/47/39/419334739.db2.gz IAIFBSADNQPLHY-GASCZTMLSA-N 1 1 297.402 3.315 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1ccc(F)cc1F ZINC000662086030 419334745 /nfs/dbraw/zinc/33/47/45/419334745.db2.gz OIXIFGJOGCRTOA-BETUJISGSA-N 1 1 292.329 3.086 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccc(F)cc1F ZINC000662086030 419334747 /nfs/dbraw/zinc/33/47/47/419334747.db2.gz OIXIFGJOGCRTOA-BETUJISGSA-N 1 1 292.329 3.086 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000662091293 419334773 /nfs/dbraw/zinc/33/47/73/419334773.db2.gz WRBWCEWHRHQICU-XHSDSOJGSA-N 1 1 290.451 3.207 20 30 CGEDMO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)Cc1cc(C)[nH]n1 ZINC000657929620 419446316 /nfs/dbraw/zinc/44/63/16/419446316.db2.gz SQEACHNBXKZOSN-XNRPHZJLSA-N 1 1 261.413 3.374 20 30 CGEDMO C=CCCC(=O)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000363349191 260113648 /nfs/dbraw/zinc/11/36/48/260113648.db2.gz NWTIPSVBAWNXME-MRXNPFEDSA-N 1 1 286.419 3.076 20 30 CGEDMO C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCCCC#N ZINC000066851504 260249328 /nfs/dbraw/zinc/24/93/28/260249328.db2.gz OKRNJQKEQWGZDJ-GOEBONIOSA-N 1 1 258.365 3.142 20 30 CGEDMO N#CCCC[N@@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000076909679 260294623 /nfs/dbraw/zinc/29/46/23/260294623.db2.gz GWMIBLJXPSZWFA-QGZVFWFLSA-N 1 1 265.360 3.197 20 30 CGEDMO N#CCCC[N@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000076909679 260294625 /nfs/dbraw/zinc/29/46/25/260294625.db2.gz GWMIBLJXPSZWFA-QGZVFWFLSA-N 1 1 265.360 3.197 20 30 CGEDMO COc1cc(C[N@@H+](C)CCCC#N)c(SC)cc1OC ZINC000152658718 261067111 /nfs/dbraw/zinc/06/71/11/261067111.db2.gz JFEVABDNNZOHQJ-UHFFFAOYSA-N 1 1 294.420 3.161 20 30 CGEDMO C[C@H](O)C[N@@H+](CCCC(C)(C)C#N)C1CCCCC1 ZINC000174842157 261199252 /nfs/dbraw/zinc/19/92/52/261199252.db2.gz IGLJTCOOVXMWNP-AWEZNQCLSA-N 1 1 266.429 3.332 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000361372829 261226259 /nfs/dbraw/zinc/22/62/59/261226259.db2.gz APZZDFLMMWHGGQ-QKPAOTATSA-N 1 1 251.414 3.214 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC000367440134 262177928 /nfs/dbraw/zinc/17/79/28/262177928.db2.gz ZSAHVLAHHBRBGR-LJQANCHMSA-N 1 1 299.414 3.091 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](C3CC3)C2)c(Cl)c1 ZINC000400242717 262215957 /nfs/dbraw/zinc/21/59/57/262215957.db2.gz RVJDPPWYYNXSJX-CYBMUJFWSA-N 1 1 260.768 3.444 20 30 CGEDMO C[N@@H+](Cc1ccc[nH]1)Cc1cccc(OCCCC#N)c1 ZINC000354032541 262284215 /nfs/dbraw/zinc/28/42/15/262284215.db2.gz BMOZIELNPRWOTR-UHFFFAOYSA-N 1 1 283.375 3.329 20 30 CGEDMO CCCCCCCCC[N@@H+]1CCn2c(C)nnc2C1 ZINC000365235822 262353560 /nfs/dbraw/zinc/35/35/60/262353560.db2.gz ZBBROCRBRLIDDN-UHFFFAOYSA-N 1 1 264.417 3.153 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000365252553 262355199 /nfs/dbraw/zinc/35/51/99/262355199.db2.gz CKYDAPXFEPWLBR-MOPGFXCFSA-N 1 1 283.415 3.177 20 30 CGEDMO C[C@H](C#N)C[N@H+](Cc1cccc2cc[nH]c21)C1CC1 ZINC000354045785 262357430 /nfs/dbraw/zinc/35/74/30/262357430.db2.gz ZWUMREHTDOLHNQ-GFCCVEGCSA-N 1 1 253.349 3.292 20 30 CGEDMO C[C@H](C#N)C[N@@H+](Cc1cccc2cc[nH]c21)C1CC1 ZINC000354045785 262357431 /nfs/dbraw/zinc/35/74/31/262357431.db2.gz ZWUMREHTDOLHNQ-GFCCVEGCSA-N 1 1 253.349 3.292 20 30 CGEDMO C=C[C@H](C)[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000339502690 262649243 /nfs/dbraw/zinc/64/92/43/262649243.db2.gz UZNLWNUEAXNAEM-VIFPVBQESA-N 1 1 297.189 3.238 20 30 CGEDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2CCC1(C#N)CCCCC1 ZINC000411718575 262705078 /nfs/dbraw/zinc/70/50/78/262705078.db2.gz LPRDKUGZAFXFFV-SMLCLMEVSA-N 1 1 288.435 3.206 20 30 CGEDMO C[C@H](C/N=C/c1cccc(O)c1O)[N@@H+](C)Cc1ccccc1 ZINC000264636769 262891706 /nfs/dbraw/zinc/89/17/06/262891706.db2.gz LVECSTKIOMCGQN-ONDHQXCVSA-N 1 1 298.386 3.037 20 30 CGEDMO CC1(C#N)CCN(c2cc[nH+]c3ccsc32)CC1 ZINC000272464832 263004843 /nfs/dbraw/zinc/00/48/43/263004843.db2.gz LYMUVMKKYKVWRL-UHFFFAOYSA-N 1 1 257.362 3.426 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000276262799 263035474 /nfs/dbraw/zinc/03/54/74/263035474.db2.gz BJZRNXPBYAMSTE-HIFRSBDPSA-N 1 1 288.366 3.413 20 30 CGEDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC(C)(C)CCC#N ZINC000289370476 263109809 /nfs/dbraw/zinc/10/98/09/263109809.db2.gz LIHSFTZUMJSSQO-UHFFFAOYSA-N 1 1 289.379 3.399 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000291651137 263124534 /nfs/dbraw/zinc/12/45/34/263124534.db2.gz UPLVJECRMAQYIF-KRWDZBQOSA-N 1 1 297.446 3.453 20 30 CGEDMO C=CCOCC[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000293687707 263147256 /nfs/dbraw/zinc/14/72/56/263147256.db2.gz WDEIQIBVZJRDHP-CYBMUJFWSA-N 1 1 251.395 3.334 20 30 CGEDMO C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCOCCC#N)C1 ZINC000292837208 263135457 /nfs/dbraw/zinc/13/54/57/263135457.db2.gz PFEMHCJGZPPCCA-CZUORRHYSA-N 1 1 276.355 3.139 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)C1 ZINC000293209832 263138780 /nfs/dbraw/zinc/13/87/80/263138780.db2.gz UWJLFMZOBRABEL-VYDXJSESSA-N 1 1 272.367 3.382 20 30 CGEDMO COc1cc2c(cc1Cl)C[N@@H+]([C@@H]1CC[C@H](C#N)C1)CC2 ZINC000293260914 263139083 /nfs/dbraw/zinc/13/90/83/263139083.db2.gz UKACUEZDQDUQOG-SMDDNHRTSA-N 1 1 290.794 3.399 20 30 CGEDMO COc1cc2c(cc1Cl)C[N@H+]([C@@H]1CC[C@H](C#N)C1)CC2 ZINC000293260914 263139084 /nfs/dbraw/zinc/13/90/84/263139084.db2.gz UKACUEZDQDUQOG-SMDDNHRTSA-N 1 1 290.794 3.399 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](COc3ccccc3)C2)C1 ZINC000294690088 263166368 /nfs/dbraw/zinc/16/63/68/263166368.db2.gz TUSRHUARJWJUBJ-OAGGEKHMSA-N 1 1 270.376 3.080 20 30 CGEDMO COc1cc([C@@H](C)[NH2+]CCC#N)ccc1OCC(C)C ZINC000298426012 263219548 /nfs/dbraw/zinc/21/95/48/263219548.db2.gz MRSMAFJWKDSQLC-CYBMUJFWSA-N 1 1 276.380 3.294 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000298553576 263222135 /nfs/dbraw/zinc/22/21/35/263222135.db2.gz YWZSLVWQGQGSBZ-IUODEOHRSA-N 1 1 278.783 3.485 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000340868321 263310624 /nfs/dbraw/zinc/31/06/24/263310624.db2.gz AMCLSTUQPOCSCP-JSGCOSHPSA-N 1 1 262.401 3.037 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000340868321 263310626 /nfs/dbraw/zinc/31/06/26/263310626.db2.gz AMCLSTUQPOCSCP-JSGCOSHPSA-N 1 1 262.401 3.037 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000340868321 263310627 /nfs/dbraw/zinc/31/06/27/263310627.db2.gz AMCLSTUQPOCSCP-JSGCOSHPSA-N 1 1 262.401 3.037 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000340868321 263310629 /nfs/dbraw/zinc/31/06/29/263310629.db2.gz AMCLSTUQPOCSCP-JSGCOSHPSA-N 1 1 262.401 3.037 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000340868321 263310630 /nfs/dbraw/zinc/31/06/30/263310630.db2.gz AMCLSTUQPOCSCP-JSGCOSHPSA-N 1 1 262.401 3.037 20 30 CGEDMO C=C1CC[NH+](CC(=O)N(Cc2ccccc2)C(C)C)CC1 ZINC000341984825 263379914 /nfs/dbraw/zinc/37/99/14/263379914.db2.gz PMYWELOAICKWOF-UHFFFAOYSA-N 1 1 286.419 3.076 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000342733738 263483464 /nfs/dbraw/zinc/48/34/64/263483464.db2.gz NVCZDGXVPOAWDI-CYBMUJFWSA-N 1 1 294.826 3.367 20 30 CGEDMO CC(C)n1cc(C(=O)NCC[N@@H+](C)C2CCCCC2)cn1 ZINC000330940357 264082514 /nfs/dbraw/zinc/08/25/14/264082514.db2.gz BQTGOGKVGXOCKP-UHFFFAOYSA-N 1 1 292.427 3.033 20 30 CGEDMO C=CCCC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000076388178 264337179 /nfs/dbraw/zinc/33/71/79/264337179.db2.gz HPICNQZGBIRCCD-INIZCTEOSA-N 1 1 286.419 3.076 20 30 CGEDMO CC(C)(C)OC(=O)CC[C@H]1CCCC[N@@H+]1CC1(C#N)CC1 ZINC000425483148 264350062 /nfs/dbraw/zinc/35/00/62/264350062.db2.gz UINWBNYGMZNTHR-CQSZACIVSA-N 1 1 292.423 3.267 20 30 CGEDMO CC(C)(C)OC(=O)CC[C@H]1CCCC[N@H+]1CC1(C#N)CC1 ZINC000425483148 264350064 /nfs/dbraw/zinc/35/00/64/264350064.db2.gz UINWBNYGMZNTHR-CQSZACIVSA-N 1 1 292.423 3.267 20 30 CGEDMO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2cc(C)[nH]n2)cc1 ZINC000090533298 264397366 /nfs/dbraw/zinc/39/73/66/264397366.db2.gz YVYZXXYYNXDBLI-DZGCQCFKSA-N 1 1 297.402 3.012 20 30 CGEDMO C=CC[N@H+](Cc1cccc(OC(C)(C)C)n1)C1CC1 ZINC000357550632 266321792 /nfs/dbraw/zinc/32/17/92/266321792.db2.gz GVUHDGKTZJBZLC-UHFFFAOYSA-N 1 1 260.381 3.409 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)c(Cl)c1)C1CC1 ZINC000357557263 266323097 /nfs/dbraw/zinc/32/30/97/266323097.db2.gz XJZYINGTRFZRAR-UHFFFAOYSA-N 1 1 251.757 3.499 20 30 CGEDMO C[C@@H]1CCC[C@H](C)[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000125182439 267017116 /nfs/dbraw/zinc/01/71/16/267017116.db2.gz XZYMMBYJMWFUQK-CABCVRRESA-N 1 1 299.418 3.397 20 30 CGEDMO N#CCSCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000368231237 267153664 /nfs/dbraw/zinc/15/36/64/267153664.db2.gz JPKHFGLNVGGHDV-ARFHVFGLSA-N 1 1 296.480 3.039 20 30 CGEDMO C/C(Cl)=C\C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000528348855 270161543 /nfs/dbraw/zinc/16/15/43/270161543.db2.gz DFVYLELBKBBTEE-VGOFMYFVSA-N 1 1 289.810 3.213 20 30 CGEDMO C=C(Br)C[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000369416562 267242000 /nfs/dbraw/zinc/24/20/00/267242000.db2.gz HJPTXMZCPONNHZ-CHWSQXEVSA-N 1 1 288.229 3.034 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccccc2OCC2CC2)CCC1 ZINC000418141339 267363695 /nfs/dbraw/zinc/36/36/95/267363695.db2.gz KYEGQTBYVNMKMW-UHFFFAOYSA-N 1 1 270.376 3.259 20 30 CGEDMO C=CC[N@H+](Cc1ccc(CO)cc1)Cc1cccc(C#N)c1 ZINC000305811661 268001081 /nfs/dbraw/zinc/00/10/81/268001081.db2.gz IGBNLYZWCNLMKX-UHFFFAOYSA-N 1 1 292.382 3.239 20 30 CGEDMO C=CC[C@H](C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000376936618 268031583 /nfs/dbraw/zinc/03/15/83/268031583.db2.gz DRUNULDYIXHUEE-SQNIBIBYSA-N 1 1 298.430 3.089 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000336460951 278259909 /nfs/dbraw/zinc/25/99/09/278259909.db2.gz RBSQTSAZWRPYDQ-IRXDYDNUSA-N 1 1 284.403 3.241 20 30 CGEDMO C[C@H](CCNc1ccc(C#N)nc1)[N@@H+](C)Cc1ccccc1 ZINC000301530594 279268072 /nfs/dbraw/zinc/26/80/72/279268072.db2.gz HNTTZZWYUOWFQC-OAHLLOKOSA-N 1 1 294.402 3.276 20 30 CGEDMO N#Cc1ccc(O[C@H]2CC[N@H+]([C@H]3C=CCCCCC3)C2)nc1 ZINC000550105614 289066902 /nfs/dbraw/zinc/06/69/02/289066902.db2.gz NZUJKWCJIFVXHL-IRXDYDNUSA-N 1 1 297.402 3.295 20 30 CGEDMO Cc1[nH+]c2cc(Nc3nc(C)ccc3C#N)ccc2n1C ZINC000561263047 289630686 /nfs/dbraw/zinc/63/06/86/289630686.db2.gz RBXRUWYCXMTJNN-UHFFFAOYSA-N 1 1 277.331 3.200 20 30 CGEDMO C[C@H](Nc1cccc(C#N)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272649538 290063684 /nfs/dbraw/zinc/06/36/84/290063684.db2.gz AJVUHNKUPABOSF-UONOGXRCSA-N 1 1 284.407 3.018 20 30 CGEDMO Cc1cc2cc(C[NH2+]CC3(C#N)CC3)oc2cc1C ZINC000574981498 327866043 /nfs/dbraw/zinc/86/60/43/327866043.db2.gz GPRKVBAIGFTTSD-UHFFFAOYSA-N 1 1 254.333 3.443 20 30 CGEDMO Cc1cc(C[NH2+]C[C@H](C)C#N)ccc1C(F)(F)F ZINC000563518901 328071488 /nfs/dbraw/zinc/07/14/88/328071488.db2.gz KLFQGDKELKPEQY-SECBINFHSA-N 1 1 256.271 3.263 20 30 CGEDMO C[N@@H+](CCc1ccc(F)cc1)Cc1ccc(OCC#N)cc1 ZINC000264558862 328160323 /nfs/dbraw/zinc/16/03/23/328160323.db2.gz NQJBDAYCBVKLRP-UHFFFAOYSA-N 1 1 298.361 3.403 20 30 CGEDMO C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)C[C@H](c2ccccc2)O1 ZINC000278552227 328227229 /nfs/dbraw/zinc/22/72/29/328227229.db2.gz HLSNDIPSUPUGEA-YALNPMBYSA-N 1 1 270.376 3.141 20 30 CGEDMO C[C@@H]1C[N@H+]([C@@H]2CC[C@H](C#N)C2)C[C@H](c2ccccc2)O1 ZINC000278552227 328227230 /nfs/dbraw/zinc/22/72/30/328227230.db2.gz HLSNDIPSUPUGEA-YALNPMBYSA-N 1 1 270.376 3.141 20 30 CGEDMO Cc1ccc([C@@H]2CCCCC[N@H+]2CCOCCC#N)o1 ZINC000292947110 328274072 /nfs/dbraw/zinc/27/40/72/328274072.db2.gz BUZHNXRPJHIHTI-HNNXBMFYSA-N 1 1 276.380 3.435 20 30 CGEDMO C[N@@H+](CCOCCC#N)Cc1cccc(C(F)(F)F)c1 ZINC000293415066 328275638 /nfs/dbraw/zinc/27/56/38/328275638.db2.gz IIZLGJSKRICBOD-UHFFFAOYSA-N 1 1 286.297 3.067 20 30 CGEDMO CC(C)C[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000582913023 329287875 /nfs/dbraw/zinc/28/78/75/329287875.db2.gz PSULBLGUQLIUJV-MRXNPFEDSA-N 1 1 257.381 3.354 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC12CCC2 ZINC000565043864 322056762 /nfs/dbraw/zinc/05/67/62/322056762.db2.gz IUNUIQFSRWBVFB-CYBMUJFWSA-N 1 1 299.374 3.479 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cc(C#N)n(C)c2)[C@H]2CCCC[C@@H]12 ZINC000565750922 322089364 /nfs/dbraw/zinc/08/93/64/322089364.db2.gz LMNRBLFXDIPURL-COXVUDFISA-N 1 1 271.408 3.297 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000567792927 322178204 /nfs/dbraw/zinc/17/82/04/322178204.db2.gz UPPJCJDJVXXSLY-SFHVURJKSA-N 1 1 296.345 3.351 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000567792927 322178205 /nfs/dbraw/zinc/17/82/05/322178205.db2.gz UPPJCJDJVXXSLY-SFHVURJKSA-N 1 1 296.345 3.351 20 30 CGEDMO COC(=O)c1cccc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)c1C#N ZINC000567791120 322178222 /nfs/dbraw/zinc/17/82/22/322178222.db2.gz HJZAJYPCBXUGDV-GUYCJALGSA-N 1 1 298.386 3.109 20 30 CGEDMO N#Cc1cccc(C2([NH2+]Cc3ccc4c(n3)CCC4)CC2)c1 ZINC000570141484 322266012 /nfs/dbraw/zinc/26/60/12/322266012.db2.gz DQYNHDHWMZFQNA-UHFFFAOYSA-N 1 1 289.382 3.221 20 30 CGEDMO N#CCSCCC[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000074980420 327122369 /nfs/dbraw/zinc/12/23/69/327122369.db2.gz NYHPSSOCZFXRTG-UHFFFAOYSA-N 1 1 278.396 3.437 20 30 CGEDMO C[C@H](c1ccccc1F)[N@@H+](C)CCCSCC#N ZINC000074981902 327122871 /nfs/dbraw/zinc/12/28/71/327122871.db2.gz SIWDNGHCEPYSMZ-GFCCVEGCSA-N 1 1 266.385 3.465 20 30 CGEDMO C=CCOCC[N@@H+](C)CCCOc1cccc(Cl)c1 ZINC000559049603 327139048 /nfs/dbraw/zinc/13/90/48/327139048.db2.gz OJOKSHRWJZUCSS-UHFFFAOYSA-N 1 1 283.799 3.243 20 30 CGEDMO C=CC[NH+](CC=C)[C@@H](CNCc1occc1C)C(C)C ZINC000531006018 327213206 /nfs/dbraw/zinc/21/32/06/327213206.db2.gz MLWDZRXRKRMVDY-INIZCTEOSA-N 1 1 276.424 3.376 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000531101112 327246508 /nfs/dbraw/zinc/24/65/08/327246508.db2.gz DASWNPQMVBNUIU-GFCCVEGCSA-N 1 1 292.345 3.360 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+]Cc1ccc(Br)s1 ZINC000381557936 327596597 /nfs/dbraw/zinc/59/65/97/327596597.db2.gz PJVMSSLNZFQXBH-SECBINFHSA-N 1 1 298.209 3.044 20 30 CGEDMO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(Cl)cc1 ZINC000194076107 329065542 /nfs/dbraw/zinc/06/55/42/329065542.db2.gz LSUBWJKPWIOHSN-NWDGAFQWSA-N 1 1 261.756 3.434 20 30 CGEDMO C=CCn1cc(C[NH2+][C@@H](CC2CC2)c2ccccc2)nn1 ZINC000582481008 329095439 /nfs/dbraw/zinc/09/54/39/329095439.db2.gz HGCUKFXDBOBBCX-KRWDZBQOSA-N 1 1 282.391 3.095 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(C(=O)OC)oc1CC ZINC000176979972 329179701 /nfs/dbraw/zinc/17/97/01/329179701.db2.gz SWDVIPSYBYUACK-UHFFFAOYSA-N 1 1 265.353 3.027 20 30 CGEDMO CCCCO[C@@H]1C[C@@H]([N@@H+](C)CCCC#N)C1(C)C ZINC000177734844 329186640 /nfs/dbraw/zinc/18/66/40/329186640.db2.gz ULWTWZYCGKHZLN-ZIAGYGMSSA-N 1 1 252.402 3.206 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000181049162 329225427 /nfs/dbraw/zinc/22/54/27/329225427.db2.gz PNYSKFWDAIQNCT-UHFFFAOYSA-N 1 1 259.328 3.224 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000181044507 329225455 /nfs/dbraw/zinc/22/54/55/329225455.db2.gz CLMPFIUIFMOYBF-UHFFFAOYSA-N 1 1 258.365 3.377 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(-n2nc(C)cc2C)cc1 ZINC000181327709 329231717 /nfs/dbraw/zinc/23/17/17/329231717.db2.gz SWQZEVIVMYSEME-UHFFFAOYSA-N 1 1 269.392 3.497 20 30 CGEDMO N#Cc1csc(CNc2cccc3cc[nH+]cc32)n1 ZINC000395149755 329281638 /nfs/dbraw/zinc/28/16/38/329281638.db2.gz IRTLKOSSXKLPHR-UHFFFAOYSA-N 1 1 266.329 3.175 20 30 CGEDMO C[C@@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1cn(-c2ccccc2)nn1 ZINC000185855321 329333631 /nfs/dbraw/zinc/33/36/31/329333631.db2.gz UFHOWUHYMZFMBI-QLFBSQMISA-N 1 1 295.390 3.000 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CCC1 ZINC000188415728 329368637 /nfs/dbraw/zinc/36/86/37/329368637.db2.gz OCUNAPLQYXXMQL-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCCC[N@H+](C)CCOCC(F)(F)C(F)(F)F ZINC000189360342 329379583 /nfs/dbraw/zinc/37/95/83/329379583.db2.gz DWJPXLGYFWMCMK-UHFFFAOYSA-N 1 1 275.261 3.099 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)C[C@H]1CC[C@H](C)O1 ZINC000190629241 329399937 /nfs/dbraw/zinc/39/99/37/329399937.db2.gz ALCGXCUJZUSYAQ-DZGCQCFKSA-N 1 1 252.402 3.206 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000268971001 330067125 /nfs/dbraw/zinc/06/71/25/330067125.db2.gz LQPDBTCMXFFVHW-UHFFFAOYSA-N 1 1 293.317 3.413 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000268971001 330067126 /nfs/dbraw/zinc/06/71/26/330067126.db2.gz LQPDBTCMXFFVHW-UHFFFAOYSA-N 1 1 293.317 3.413 20 30 CGEDMO C=CCCCCC[N@H+](C)CC(=O)NC1CCCCC1 ZINC000532967962 330323361 /nfs/dbraw/zinc/32/33/61/330323361.db2.gz MHDCIFINPDCZKX-UHFFFAOYSA-N 1 1 266.429 3.114 20 30 CGEDMO N#CCCC[C@@H]([NH3+])c1nc(Cc2ccc(Cl)cc2)no1 ZINC000424332284 330342722 /nfs/dbraw/zinc/34/27/22/330342722.db2.gz CAGIOSPQIDAUGT-GFCCVEGCSA-N 1 1 290.754 3.007 20 30 CGEDMO N#CCCC[C@H]([NH3+])c1nc(Cc2ccccc2Cl)no1 ZINC000424336026 330343418 /nfs/dbraw/zinc/34/34/18/330343418.db2.gz ICJRQHXVLQDTCU-LBPRGKRZSA-N 1 1 290.754 3.007 20 30 CGEDMO C=C1CC[NH+]([C@H](C)C(=O)N2c3ccccc3CC[C@H]2C)CC1 ZINC000533280533 330356396 /nfs/dbraw/zinc/35/63/96/330356396.db2.gz CQAVVHHFAHVGIU-HZPDHXFCSA-N 1 1 298.430 3.395 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000121048242 330395400 /nfs/dbraw/zinc/39/54/00/330395400.db2.gz QUEJUAXBXLFEDN-JKSUJKDBSA-N 1 1 288.435 3.193 20 30 CGEDMO C=CC[N@H+](C)CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000121146062 330395527 /nfs/dbraw/zinc/39/55/27/330395527.db2.gz LDUWUBQFWWNRDK-QGZVFWFLSA-N 1 1 292.231 3.219 20 30 CGEDMO C=CC[N@@H+](C)CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000121146062 330395528 /nfs/dbraw/zinc/39/55/28/330395528.db2.gz LDUWUBQFWWNRDK-QGZVFWFLSA-N 1 1 292.231 3.219 20 30 CGEDMO COc1ncc(C[NH+]2CCC(CCC#N)CC2)cc1Cl ZINC000515643739 330480562 /nfs/dbraw/zinc/48/05/62/330480562.db2.gz YTYQMCMZGSNDBO-UHFFFAOYSA-N 1 1 293.798 3.259 20 30 CGEDMO C=CCC[N@@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000451005102 331011417 /nfs/dbraw/zinc/01/14/17/331011417.db2.gz WZLCSEZMQRXUOY-UHFFFAOYSA-N 1 1 264.800 3.428 20 30 CGEDMO CO[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC000451576567 331035086 /nfs/dbraw/zinc/03/50/86/331035086.db2.gz UKKFWXVPCJYQJL-CZUORRHYSA-N 1 1 277.795 3.048 20 30 CGEDMO CO[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC000451576567 331035087 /nfs/dbraw/zinc/03/50/87/331035087.db2.gz UKKFWXVPCJYQJL-CZUORRHYSA-N 1 1 277.795 3.048 20 30 CGEDMO C=C(CC)CN1CC[N@@H+](CC(=C)CC)CC(C)C1 ZINC000451888454 331046212 /nfs/dbraw/zinc/04/62/12/331046212.db2.gz IFRCBPUDRVMLGB-UHFFFAOYSA-N 1 1 250.430 3.173 20 30 CGEDMO C=C(C)CCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000452717760 331073118 /nfs/dbraw/zinc/07/31/18/331073118.db2.gz MWWPDJFSAUTHGO-KRWDZBQOSA-N 1 1 286.419 3.124 20 30 CGEDMO C=C(C)CCNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000452721175 331073852 /nfs/dbraw/zinc/07/38/52/331073852.db2.gz GMGQDUJCJSDQRK-CQSZACIVSA-N 1 1 280.799 3.025 20 30 CGEDMO C=C(CC)CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000456830180 331206605 /nfs/dbraw/zinc/20/66/05/331206605.db2.gz QETGMSXHXJTUOP-AWEZNQCLSA-N 1 1 280.799 3.025 20 30 CGEDMO Cc1nc2scc(C3CC3)n2c1C[NH2+]CC(C)(C)C#N ZINC000459488839 331284618 /nfs/dbraw/zinc/28/46/18/331284618.db2.gz SSGVYKZPHQDPOX-UHFFFAOYSA-N 1 1 288.420 3.221 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCC[C@@H]2c2ccccc2)C1=O ZINC000459720174 331295674 /nfs/dbraw/zinc/29/56/74/331295674.db2.gz ZFDPEERSMFVARC-KURKYZTESA-N 1 1 298.430 3.041 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC000459773000 331300040 /nfs/dbraw/zinc/30/00/40/331300040.db2.gz VFUSVMGQJYJBSB-BBRMVZONSA-N 1 1 265.372 3.016 20 30 CGEDMO CC#CCC[N@@H+](C)Cc1cc(Br)ccc1F ZINC000462315577 331319127 /nfs/dbraw/zinc/31/91/27/331319127.db2.gz JOHMUGOMOLCZML-UHFFFAOYSA-N 1 1 284.172 3.433 20 30 CGEDMO CC#CCC[N@@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000462318924 331319284 /nfs/dbraw/zinc/31/92/84/331319284.db2.gz FXBOGMPACRXVQP-WMZOPIPTSA-N 1 1 271.404 3.479 20 30 CGEDMO CC#CCC[N@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000462318924 331319285 /nfs/dbraw/zinc/31/92/85/331319285.db2.gz FXBOGMPACRXVQP-WMZOPIPTSA-N 1 1 271.404 3.479 20 30 CGEDMO CC#CCCN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000462321636 331319513 /nfs/dbraw/zinc/31/95/13/331319513.db2.gz WNMPFVLAJSAACO-PMACEKPBSA-N 1 1 296.458 3.386 20 30 CGEDMO CC#CCCN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000462321636 331319514 /nfs/dbraw/zinc/31/95/14/331319514.db2.gz WNMPFVLAJSAACO-PMACEKPBSA-N 1 1 296.458 3.386 20 30 CGEDMO C=C(C)C[N@@H+](C)CCc1cccc(Br)c1 ZINC000463416555 331347295 /nfs/dbraw/zinc/34/72/95/331347295.db2.gz BEYXCJZFSZIYMG-UHFFFAOYSA-N 1 1 268.198 3.500 20 30 CGEDMO CC[N@@H+](CC#Cc1cccc(Cl)c1)C[C@H](C)OC ZINC000463425270 331347443 /nfs/dbraw/zinc/34/74/43/331347443.db2.gz HAAZVZMRJYBJEF-ZDUSSCGKSA-N 1 1 265.784 3.048 20 30 CGEDMO C=CC[N@H+](CCc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000464779104 331367652 /nfs/dbraw/zinc/36/76/52/331367652.db2.gz QVXRWADYPOQSIA-KRWDZBQOSA-N 1 1 259.393 3.205 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](CC)N(C(C)=O)C[C@H]1CC ZINC000488454060 332010807 /nfs/dbraw/zinc/01/08/07/332010807.db2.gz YAACUGDYBVLVIB-IAGOWNOFSA-N 1 1 280.456 3.454 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000489422597 332051135 /nfs/dbraw/zinc/05/11/35/332051135.db2.gz GBCYCWXEJXUBQC-WBVHZDCISA-N 1 1 286.419 3.247 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000489439060 332052425 /nfs/dbraw/zinc/05/24/25/332052425.db2.gz NGWXZEOVPXPOIX-OAGGEKHMSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C)c(F)c1 ZINC000489438616 332052437 /nfs/dbraw/zinc/05/24/37/332052437.db2.gz XPYJNVKOANGOEM-CQSZACIVSA-N 1 1 276.355 3.113 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(C)c(F)c1 ZINC000489438616 332052438 /nfs/dbraw/zinc/05/24/38/332052438.db2.gz XPYJNVKOANGOEM-CQSZACIVSA-N 1 1 276.355 3.113 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cnn(Cc2ccccc2)c1 ZINC000489447426 332052993 /nfs/dbraw/zinc/05/29/93/332052993.db2.gz IIKKMCMSYRUWKU-GOSISDBHSA-N 1 1 281.403 3.472 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(OCC)cc1 ZINC000489446376 332053117 /nfs/dbraw/zinc/05/31/17/332053117.db2.gz NPGRDUXFGFMVHU-OAHLLOKOSA-N 1 1 288.391 3.064 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(OCC)cc1 ZINC000489446376 332053118 /nfs/dbraw/zinc/05/31/18/332053118.db2.gz NPGRDUXFGFMVHU-OAHLLOKOSA-N 1 1 288.391 3.064 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)NCCC1CCCCC1 ZINC000489457840 332053955 /nfs/dbraw/zinc/05/39/55/332053955.db2.gz CJNBUCASYQVCHM-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000489469465 332054523 /nfs/dbraw/zinc/05/45/23/332054523.db2.gz BISYYXNWCRUHFX-ZDUSSCGKSA-N 1 1 276.336 3.144 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000489469465 332054524 /nfs/dbraw/zinc/05/45/24/332054524.db2.gz BISYYXNWCRUHFX-ZDUSSCGKSA-N 1 1 276.336 3.144 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1Cl ZINC000489469056 332054678 /nfs/dbraw/zinc/05/46/78/332054678.db2.gz CPYPHZWAVVGUEB-UONOGXRCSA-N 1 1 295.810 3.120 20 30 CGEDMO C=C[C@H]1CCCCN1CCC[N@H+]1CCCC[C@@H]1C=C ZINC000489482672 332055265 /nfs/dbraw/zinc/05/52/65/332055265.db2.gz RIMQELNGOJIVAF-IRXDYDNUSA-N 1 1 262.441 3.458 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000489499848 332057036 /nfs/dbraw/zinc/05/70/36/332057036.db2.gz RGBSKXXHYWJCPB-AWEZNQCLSA-N 1 1 260.337 3.444 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)c1c[nH]c2ccccc12 ZINC000489517367 332057927 /nfs/dbraw/zinc/05/79/27/332057927.db2.gz USNPNAUYMOUOEK-CYBMUJFWSA-N 1 1 268.360 3.391 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)c1c[nH]c2ccccc12 ZINC000489517367 332057928 /nfs/dbraw/zinc/05/79/28/332057928.db2.gz USNPNAUYMOUOEK-CYBMUJFWSA-N 1 1 268.360 3.391 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)[C@@H](COC)c1ccc(Cl)cc1 ZINC000490038038 332077878 /nfs/dbraw/zinc/07/78/78/332077878.db2.gz TYPIWHZDKZQIMN-CVEARBPZSA-N 1 1 297.826 3.286 20 30 CGEDMO C#C[C@H]([NH2+]Cc1cccc(COC)c1)c1ccc(F)cc1 ZINC000491717505 332306996 /nfs/dbraw/zinc/30/69/96/332306996.db2.gz QYPQRMASJARMMH-SFHVURJKSA-N 1 1 283.346 3.436 20 30 CGEDMO C#C[C@@H](C)N(C)C(=O)c1ccc(C[N@H+](CC)CCC)cc1 ZINC000491786004 332348583 /nfs/dbraw/zinc/34/85/83/332348583.db2.gz SWWFIRQRTUAKPT-OAHLLOKOSA-N 1 1 286.419 3.012 20 30 CGEDMO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CCCC(C)(C)C#N ZINC000174857037 333009147 /nfs/dbraw/zinc/00/91/47/333009147.db2.gz WHLHEZPRKQBRTL-CYBMUJFWSA-N 1 1 297.443 3.161 20 30 CGEDMO C=C(CC)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309908954 333051196 /nfs/dbraw/zinc/05/11/96/333051196.db2.gz LHULBURVTBFOFS-WMZOPIPTSA-N 1 1 272.436 3.453 20 30 CGEDMO CC(C)C[C@H](CO)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000185336234 333139013 /nfs/dbraw/zinc/13/90/13/333139013.db2.gz IUYFZGJKBKRYCN-MRXNPFEDSA-N 1 1 279.811 3.030 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)CC[C@@H]1CCCO1 ZINC000188914524 333176023 /nfs/dbraw/zinc/17/60/23/333176023.db2.gz VCTIOWXOAGQYPV-KRWDZBQOSA-N 1 1 259.393 3.286 20 30 CGEDMO C=CC1CC[NH+]([C@@H](C)c2nnnn2C2CCCCC2)CC1 ZINC000189262703 333188771 /nfs/dbraw/zinc/18/87/71/333188771.db2.gz FGGYKYMWOMYDIE-ZDUSSCGKSA-N 1 1 289.427 3.137 20 30 CGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)C[C@H](C)CC ZINC000523606608 333333858 /nfs/dbraw/zinc/33/38/58/333333858.db2.gz HLLDEDFSUBMGTG-NVXWUHKLSA-N 1 1 291.435 3.133 20 30 CGEDMO C=CCOc1ccccc1C[NH2+][C@H](CC)c1ccn(C)n1 ZINC000542662385 333834673 /nfs/dbraw/zinc/83/46/73/333834673.db2.gz PPQSRRWZAQDABA-OAHLLOKOSA-N 1 1 285.391 3.226 20 30 CGEDMO C=CC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000174940496 335170034 /nfs/dbraw/zinc/17/00/34/335170034.db2.gz FPQWXBMHHSEXOT-RDJZCZTQSA-N 1 1 286.419 3.122 20 30 CGEDMO CCOc1ccccc1C[N@@H+](C)CCCSCC#N ZINC000074981962 334021776 /nfs/dbraw/zinc/02/17/76/334021776.db2.gz XFXNYESWNGPFPI-UHFFFAOYSA-N 1 1 278.421 3.164 20 30 CGEDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCCSCC#N ZINC000245493395 334197352 /nfs/dbraw/zinc/19/73/52/334197352.db2.gz LMDNTSCASSPVHQ-MGPQQGTHSA-N 1 1 252.427 3.286 20 30 CGEDMO CC[C@H](CC#N)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000248391934 334299704 /nfs/dbraw/zinc/29/97/04/334299704.db2.gz DVBORSGEXKXQMJ-AKHDSKFASA-N 1 1 297.446 3.179 20 30 CGEDMO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1nc(C(C)(C)C)no1 ZINC000248872475 334320178 /nfs/dbraw/zinc/32/01/78/334320178.db2.gz IFHUHVSGYUIHDL-QJPTWQEYSA-N 1 1 276.384 3.100 20 30 CGEDMO C[C@@H]1C[C@H](C)CN(C(C)(C)C[NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000248894309 334321112 /nfs/dbraw/zinc/32/11/12/334321112.db2.gz SYRBQSILSUSYCC-YVSFHVDLSA-N 1 1 291.483 3.415 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+][C@H]1CCc2sc(Cl)cc21 ZINC000567290796 334701206 /nfs/dbraw/zinc/70/12/06/334701206.db2.gz PEKOLJPFUVDBAP-ONGXEEELSA-N 1 1 279.796 3.422 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000576536790 335216824 /nfs/dbraw/zinc/21/68/24/335216824.db2.gz AQRPSAHCLRHWCV-RISCZKNCSA-N 1 1 289.379 3.396 20 30 CGEDMO CC(C)(C)c1cc(C[NH+]2CCC(CC#N)CC2)no1 ZINC000576987651 335274274 /nfs/dbraw/zinc/27/42/74/335274274.db2.gz UIRFARGFQXFDOG-UHFFFAOYSA-N 1 1 261.369 3.098 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000577147913 335309058 /nfs/dbraw/zinc/30/90/58/335309058.db2.gz LJGCKEMTZJVYPH-OAHLLOKOSA-N 1 1 276.428 3.395 20 30 CGEDMO C[C@H](O)[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccccc1F ZINC000577618036 335379174 /nfs/dbraw/zinc/37/91/74/335379174.db2.gz ZCKMRDBQHURZEK-LXIYXOSZSA-N 1 1 298.361 3.470 20 30 CGEDMO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NCc1cc(C#N)cs1 ZINC000177689935 335379195 /nfs/dbraw/zinc/37/91/95/335379195.db2.gz UIFFYFNKVMXTCO-HZSPNIEDSA-N 1 1 291.464 3.076 20 30 CGEDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NCc1cc(C#N)cs1 ZINC000177689935 335379196 /nfs/dbraw/zinc/37/91/96/335379196.db2.gz UIFFYFNKVMXTCO-HZSPNIEDSA-N 1 1 291.464 3.076 20 30 CGEDMO CC(C)n1ccc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)n1 ZINC000578054343 335472675 /nfs/dbraw/zinc/47/26/75/335472675.db2.gz SWXXWNDRPMFBQO-KRWDZBQOSA-N 1 1 280.375 3.113 20 30 CGEDMO C[C@@H]1CCSCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000385902404 336160771 /nfs/dbraw/zinc/16/07/71/336160771.db2.gz ZSYUYEITRSOEDZ-CQSZACIVSA-N 1 1 290.432 3.155 20 30 CGEDMO Cc1cccc([C@H](C)[NH2+]Cc2nc(C#N)cs2)c1 ZINC000386262683 336169416 /nfs/dbraw/zinc/16/94/16/336169416.db2.gz MZVDSRPLJKEROQ-NSHDSACASA-N 1 1 257.362 3.174 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCCC[C@H](COC)C2)c1 ZINC000468693604 500578544 /nfs/dbraw/zinc/57/85/44/500578544.db2.gz KACZQKRSPVFYFC-KRWDZBQOSA-N 1 1 289.419 3.500 20 30 CGEDMO C[C@H](CC[N@@H+](C)C[C@H](C)C#N)OCc1ccccc1 ZINC000354862834 533895153 /nfs/dbraw/zinc/89/51/53/533895153.db2.gz ITFDRVSEVALACV-HUUCEWRRSA-N 1 1 260.381 3.073 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCN1CCCCC1 ZINC000425532690 534079211 /nfs/dbraw/zinc/07/92/11/534079211.db2.gz JRYJXKYOUMIXRA-HNNXBMFYSA-N 1 1 271.408 3.037 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCN1CCCCC1 ZINC000425532690 534079217 /nfs/dbraw/zinc/07/92/17/534079217.db2.gz JRYJXKYOUMIXRA-HNNXBMFYSA-N 1 1 271.408 3.037 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(CO)cc1 ZINC000425528968 534082337 /nfs/dbraw/zinc/08/23/37/534082337.db2.gz AERLVHWBZHYNQH-AWEZNQCLSA-N 1 1 280.371 3.244 20 30 CGEDMO Cc1noc(C)c1CC[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425532730 534338417 /nfs/dbraw/zinc/33/84/17/534338417.db2.gz JXFRFIYRIMPPOE-CYBMUJFWSA-N 1 1 283.375 3.399 20 30 CGEDMO N#CCCC[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000344343483 534613833 /nfs/dbraw/zinc/61/38/33/534613833.db2.gz CWPWGSPYYRCPJA-UHFFFAOYSA-N 1 1 257.362 3.203 20 30 CGEDMO CCc1cc(N[C@@H](C)c2ccc(C#N)cc2)nc(C)[nH+]1 ZINC000088058425 523824362 /nfs/dbraw/zinc/82/43/62/523824362.db2.gz ZRXTUFKMXMILSC-NSHDSACASA-N 1 1 266.348 3.392 20 30 CGEDMO N#Cc1ccc(Cl)cc1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000083798711 534784146 /nfs/dbraw/zinc/78/41/46/534784146.db2.gz IWJCMYVZVYKYLT-UONOGXRCSA-N 1 1 275.783 3.250 20 30 CGEDMO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000365263028 534845880 /nfs/dbraw/zinc/84/58/80/534845880.db2.gz BUNOYMLOAQUCHH-KRWDZBQOSA-N 1 1 298.365 3.076 20 30 CGEDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000365263028 534845886 /nfs/dbraw/zinc/84/58/86/534845886.db2.gz BUNOYMLOAQUCHH-KRWDZBQOSA-N 1 1 298.365 3.076 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cccc(NC(C)=O)c1 ZINC000352719815 526327337 /nfs/dbraw/zinc/32/73/37/526327337.db2.gz JDOUZQPPLKNPRC-UHFFFAOYSA-N 1 1 298.386 3.469 20 30 CGEDMO C=CCOCCC[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000347963471 526748884 /nfs/dbraw/zinc/74/88/84/526748884.db2.gz JQUTUBDXBBCXDP-UHFFFAOYSA-N 1 1 263.356 3.383 20 30 CGEDMO C=C(C)[C@H](N[C@H]1C[N@@H+](C)C[C@H]1C)c1ccc(F)c(F)c1 ZINC000480693039 526821419 /nfs/dbraw/zinc/82/14/19/526821419.db2.gz BMICZBUTZSYSHH-RLCCDNCMSA-N 1 1 280.362 3.122 20 30 CGEDMO C=C(C)[C@H](N[C@H]1C[N@H+](C)C[C@H]1C)c1ccc(F)c(F)c1 ZINC000480693039 526821425 /nfs/dbraw/zinc/82/14/25/526821425.db2.gz BMICZBUTZSYSHH-RLCCDNCMSA-N 1 1 280.362 3.122 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCO[C@@H](C(C)C)C2)c1 ZINC000353176261 526900265 /nfs/dbraw/zinc/90/02/65/526900265.db2.gz VPDBODVDIVRRAR-QGZVFWFLSA-N 1 1 275.392 3.108 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCO[C@@H](C(C)C)C2)c1 ZINC000353176261 526900269 /nfs/dbraw/zinc/90/02/69/526900269.db2.gz VPDBODVDIVRRAR-QGZVFWFLSA-N 1 1 275.392 3.108 20 30 CGEDMO C=C1CC[NH+](Cc2cnc(CC(C)C)s2)CC1 ZINC000353331054 526905850 /nfs/dbraw/zinc/90/58/50/526905850.db2.gz MLPMJYDNWUUNJK-UHFFFAOYSA-N 1 1 250.411 3.494 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1C[C@H](C)O[C@@H](CC)C1 ZINC000352721140 526935286 /nfs/dbraw/zinc/93/52/86/526935286.db2.gz ZNYNNSKEQFLXJY-HOCLYGCPSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1C[C@H](C)O[C@@H](CC)C1 ZINC000352721140 526935289 /nfs/dbraw/zinc/93/52/89/526935289.db2.gz ZNYNNSKEQFLXJY-HOCLYGCPSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CC[C@H](CC)NC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000366976765 527147849 /nfs/dbraw/zinc/14/78/49/527147849.db2.gz ZQKOFIGZDXZLMU-HNNXBMFYSA-N 1 1 293.455 3.001 20 30 CGEDMO C=CCCC[N@H+](CC)C[C@@H]1COc2ccccc2O1 ZINC000344595296 527195394 /nfs/dbraw/zinc/19/53/94/527195394.db2.gz GVUATRYIWDIFSE-CQSZACIVSA-N 1 1 261.365 3.115 20 30 CGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](CC)C1CCC1 ZINC000349743206 527262682 /nfs/dbraw/zinc/26/26/82/527262682.db2.gz JYUVZFWDBAGTHB-QGZVFWFLSA-N 1 1 289.419 3.029 20 30 CGEDMO C(#Cc1ccccc1)C[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000347733995 527465385 /nfs/dbraw/zinc/46/53/85/527465385.db2.gz XJGOMNKHWXSEDU-UHFFFAOYSA-N 1 1 274.367 3.222 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCC=C(c2cccnc2)C1 ZINC000347733995 527465391 /nfs/dbraw/zinc/46/53/91/527465391.db2.gz XJGOMNKHWXSEDU-UHFFFAOYSA-N 1 1 274.367 3.222 20 30 CGEDMO CC(C)CCN(CCC#N)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000354667553 527711585 /nfs/dbraw/zinc/71/15/85/527711585.db2.gz GPBOTEITFQCEJG-MRXNPFEDSA-N 1 1 293.455 3.039 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)CC[C@@H]1CCCCO1 ZINC000347429736 527716123 /nfs/dbraw/zinc/71/61/23/527716123.db2.gz CGEREWZFWPADMV-HNNXBMFYSA-N 1 1 252.402 3.207 20 30 CGEDMO CC(C)C[C@H](C[NH3+])N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000423272891 528519082 /nfs/dbraw/zinc/51/90/82/528519082.db2.gz ZPPMOZJNRJKSIV-AEFFLSMTSA-N 1 1 285.435 3.289 20 30 CGEDMO CCC(CC)[N@@H+](CCOC)Cc1cccc(F)c1C#N ZINC000428219225 528779024 /nfs/dbraw/zinc/77/90/24/528779024.db2.gz LRIQHPANFHKTNB-UHFFFAOYSA-N 1 1 278.371 3.334 20 30 CGEDMO CC1(C#N)CC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000335974014 528841103 /nfs/dbraw/zinc/84/11/03/528841103.db2.gz JCJOMUHJEUAOLB-UHFFFAOYSA-N 1 1 298.365 3.137 20 30 CGEDMO CCO[C@H]1CC[N@@H+](Cc2cn3ccccc3c2C#N)C[C@@H]1C ZINC000451523032 535633777 /nfs/dbraw/zinc/63/37/77/535633777.db2.gz IRVFYQSGDPXLBS-KSSFIOAISA-N 1 1 297.402 3.058 20 30 CGEDMO CN(C)c1ccc(C=[NH+]Nc2cccc(C#N)c2)cc1F ZINC000727651115 571759262 /nfs/dbraw/zinc/75/92/62/571759262.db2.gz IPGDNPZVAMSCSX-UHFFFAOYSA-N 1 1 282.322 3.209 20 30 CGEDMO CCCCCCC[NH+]1CCC(CCN2CCOCC2)CC1 ZINC000740876073 571890961 /nfs/dbraw/zinc/89/09/61/571890961.db2.gz MOIIGQKJGOWQGR-UHFFFAOYSA-N 1 1 296.499 3.391 20 30 CGEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H]1CCCC[C@H]1O ZINC000352948577 571957671 /nfs/dbraw/zinc/95/76/71/571957671.db2.gz JVESLWVCSUSCCM-IAGOWNOFSA-N 1 1 291.439 3.146 20 30 CGEDMO CC(C)[N@@H+](CCC#N)Cc1cc2c(cc1O)CCC2 ZINC000739841669 572424986 /nfs/dbraw/zinc/42/49/86/572424986.db2.gz MSVDJTINJMJBEH-UHFFFAOYSA-N 1 1 258.365 3.005 20 30 CGEDMO C[C@H]1CC(N=Nc2ncc(Cl)cc2Cl)CC[N@H+]1C ZINC000741458743 572499911 /nfs/dbraw/zinc/49/99/11/572499911.db2.gz XVOJZZSSECFMBN-QMMMGPOBSA-N 1 1 287.194 3.270 20 30 CGEDMO C#CC[N@H+](CCCCCCCO)C1CCCCC1 ZINC000743842053 572686589 /nfs/dbraw/zinc/68/65/89/572686589.db2.gz AIEUFLYAUBDCJZ-UHFFFAOYSA-N 1 1 251.414 3.197 20 30 CGEDMO CCC[N@@H+](CC)Cc1cc(Cl)ccc1OCC#N ZINC000735310298 572714114 /nfs/dbraw/zinc/71/41/14/572714114.db2.gz XQLFNIFTERPYTC-UHFFFAOYSA-N 1 1 266.772 3.474 20 30 CGEDMO CCCCCC[N@@H+](C)CC(=O)N(C)c1cccc(C#N)c1 ZINC000735653958 572736198 /nfs/dbraw/zinc/73/61/98/572736198.db2.gz AEKGEDQFKNJNHE-UHFFFAOYSA-N 1 1 287.407 3.033 20 30 CGEDMO C=C(Cl)CNC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000736238472 572775924 /nfs/dbraw/zinc/77/59/24/572775924.db2.gz JERYEPLLZQEMSH-UHFFFAOYSA-N 1 1 294.826 3.399 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OCC)cc1)C1CCCC1 ZINC000746156811 572857939 /nfs/dbraw/zinc/85/79/39/572857939.db2.gz FXDNVOZBRZDMPA-UHFFFAOYSA-N 1 1 257.377 3.463 20 30 CGEDMO CC[N@@H+](C/C=C(/C)C(=O)OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000746503492 572875397 /nfs/dbraw/zinc/87/53/97/572875397.db2.gz SHMYMHBGIJNIST-ZVHGMHCTSA-N 1 1 286.375 3.060 20 30 CGEDMO C[C@@H]1C[N@@H+](C)CC1N=Nc1ccc(C(F)(F)F)cc1 ZINC000746578487 572882115 /nfs/dbraw/zinc/88/21/15/572882115.db2.gz NPALRDLTEURBDF-SECBINFHSA-N 1 1 271.286 3.055 20 30 CGEDMO N#Cc1c(CO[NH+]=C(N)C2CCCCC2)cn2ccccc12 ZINC000747826895 572950516 /nfs/dbraw/zinc/95/05/16/572950516.db2.gz XVBADTKSPMGBLE-UHFFFAOYSA-N 1 1 296.374 3.390 20 30 CGEDMO C=CC[N@H+](CN1C(=O)C(C)(C)[C@@H]1c1ccccc1)C(C)C ZINC000749943288 573064881 /nfs/dbraw/zinc/06/48/81/573064881.db2.gz GCFGQYNLXJUIHE-INIZCTEOSA-N 1 1 286.419 3.450 20 30 CGEDMO C=CC[N@@H+](CN1C(=O)C(C)(C)[C@@H]1c1ccccc1)C(C)C ZINC000749943288 573064883 /nfs/dbraw/zinc/06/48/83/573064883.db2.gz GCFGQYNLXJUIHE-INIZCTEOSA-N 1 1 286.419 3.450 20 30 CGEDMO C#CC[N@H+](CC)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000769111078 627523014 /nfs/dbraw/zinc/52/30/14/627523014.db2.gz LVRGXRKAQIDTII-UHFFFAOYSA-N 1 1 259.246 3.300 20 30 CGEDMO C=CCCCCC[N@@H+](C)Cn1cccnc1=S ZINC000172613239 623263893 /nfs/dbraw/zinc/26/38/93/623263893.db2.gz VFYDYVVSEFBODC-UHFFFAOYSA-N 1 1 251.399 3.248 20 30 CGEDMO C=CCCCCC[N@H+](C)Cn1cccnc1=S ZINC000172613239 623263901 /nfs/dbraw/zinc/26/39/01/623263901.db2.gz VFYDYVVSEFBODC-UHFFFAOYSA-N 1 1 251.399 3.248 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C1CC(C)C1 ZINC000968809691 613250450 /nfs/dbraw/zinc/25/04/50/613250450.db2.gz QZVRMDXXWNCAHZ-OFLPRAFFSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)C[C@@H]2CC[C@H](C)C2)CC1 ZINC000981783058 613251910 /nfs/dbraw/zinc/25/19/10/613251910.db2.gz DVIRMVWKCWZUGN-DLBZAZTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CC2CCCC2)[C@H](C)C1 ZINC000941766807 613266046 /nfs/dbraw/zinc/26/60/46/613266046.db2.gz AFMUFPLOGLXJQA-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccoc2)C(C)(C)C1 ZINC000940574174 613267325 /nfs/dbraw/zinc/26/73/25/613267325.db2.gz OZANCDWHHAAVIS-OAHLLOKOSA-N 1 1 290.407 3.076 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cccs2)C[C@H]1C ZINC000947013186 613272372 /nfs/dbraw/zinc/27/23/72/613272372.db2.gz KUYWYQLFUVLARI-KGLIPLIRSA-N 1 1 292.448 3.297 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C(C)(C)C)CC[C@@H]2C1 ZINC000946869476 613278320 /nfs/dbraw/zinc/27/83/20/613278320.db2.gz SKGRGZMJWDRQCJ-IYBDPMFKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2cccc(Cl)c2)C1 ZINC000972784944 613286462 /nfs/dbraw/zinc/28/64/62/613286462.db2.gz DIIXYCPBZXCNHU-OAHLLOKOSA-N 1 1 292.810 3.062 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2sccc2CC)C1 ZINC000980470966 613288021 /nfs/dbraw/zinc/28/80/21/613288021.db2.gz JFFSDZZPMMKILU-CQSZACIVSA-N 1 1 292.448 3.033 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)CC2CCCC2)C1 ZINC000972472882 613289289 /nfs/dbraw/zinc/28/92/89/613289289.db2.gz QVGCCKBNAYCPFS-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC2(CN(C(=O)C(C)(C)C(C)C)C2)C1 ZINC000981791525 613305180 /nfs/dbraw/zinc/30/51/80/613305180.db2.gz PGLUEYCMAFRORT-UHFFFAOYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)c1cc(C)co1 ZINC000968998434 613307322 /nfs/dbraw/zinc/30/73/22/613307322.db2.gz WECLEIMLTCLQHQ-HNNXBMFYSA-N 1 1 290.407 3.139 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)[C@H](C)CC2CCCC2)CC1 ZINC000982072503 613309916 /nfs/dbraw/zinc/30/99/16/613309916.db2.gz YWLQCWWGLVXLKJ-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2(C)CC2)C1 ZINC000963309755 613314800 /nfs/dbraw/zinc/31/48/00/613314800.db2.gz NSVZCWSVDLPBFF-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000963393961 613315609 /nfs/dbraw/zinc/31/56/09/613315609.db2.gz ZZIPPQAPOSVBRV-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)c(C)o2)C[C@@H]1C ZINC000947200968 613329096 /nfs/dbraw/zinc/32/90/96/613329096.db2.gz UMWISIJXSSULIE-DZGCQCFKSA-N 1 1 290.407 3.055 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)=C2CCCC2)[C@@H](C)C1 ZINC000941944169 613334576 /nfs/dbraw/zinc/33/45/76/613334576.db2.gz SGTQFUATZCHSIG-YOEHRIQHSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)/C(C)=C\C)C2)C1 ZINC000961144714 613337498 /nfs/dbraw/zinc/33/74/98/613337498.db2.gz WASYSDJJZXAGNG-ANNBALGTSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)c2cscc2C)C(C)(C)C1 ZINC000973010189 613342480 /nfs/dbraw/zinc/34/24/80/613342480.db2.gz LNKFVRFODJFXSS-AWEZNQCLSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CC=CCC2)C1 ZINC000972095037 613368447 /nfs/dbraw/zinc/36/84/47/613368447.db2.gz MAKRZEXNQNMPGQ-HUUCEWRRSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CC=CCC2)C1 ZINC000972095037 613368448 /nfs/dbraw/zinc/36/84/48/613368448.db2.gz MAKRZEXNQNMPGQ-HUUCEWRRSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCC)C1 ZINC000963245451 613374296 /nfs/dbraw/zinc/37/42/96/613374296.db2.gz XWABZJAGGUOISP-LSDHHAIUSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CCCCC2)[C@H](C)C1 ZINC000941754737 613378467 /nfs/dbraw/zinc/37/84/67/613378467.db2.gz CNHODAKMPUGKLT-DOMZBBRYSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CCCCC2)[C@H](C)C1 ZINC000941754737 613378468 /nfs/dbraw/zinc/37/84/68/613378468.db2.gz CNHODAKMPUGKLT-DOMZBBRYSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C1CCC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000950023539 613405518 /nfs/dbraw/zinc/40/55/18/613405518.db2.gz UIDXMEVHUFERMC-UHFFFAOYSA-N 1 1 298.430 3.077 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](CC(C)C)C[C@H]2C)CC1 ZINC000942600772 613410012 /nfs/dbraw/zinc/41/00/12/613410012.db2.gz UUUCKQSVYJGSFV-NVXWUHKLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cc(C)co1 ZINC000968998515 613490588 /nfs/dbraw/zinc/49/05/88/613490588.db2.gz YCJUGODBKSDTRU-OAHLLOKOSA-N 1 1 290.407 3.139 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)[C@H]2CCCC[C@H]2CC)CC1 ZINC000983389987 613495775 /nfs/dbraw/zinc/49/57/75/613495775.db2.gz MRCAWMHNJSXHHO-SJORKVTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)c2cccs2)CC1 ZINC000948158859 613501690 /nfs/dbraw/zinc/50/16/90/613501690.db2.gz CCMBHBLCUKRHGI-AWEZNQCLSA-N 1 1 292.448 3.251 20 30 CGEDMO C=Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=C)C)[C@@H](C)C2)cc1 ZINC000947735045 613515568 /nfs/dbraw/zinc/51/55/68/613515568.db2.gz INZOOTDCZGKJRY-YJBOKZPZSA-N 1 1 298.430 3.488 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)C2C(C)(C)C2(C)C)[C@H](C)C1 ZINC000941935593 613519148 /nfs/dbraw/zinc/51/91/48/613519148.db2.gz LAPROPVUQSMTKU-ZIAGYGMSSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)C2(F)CCCCC2)[C@@H](C)C1 ZINC000943987091 613519201 /nfs/dbraw/zinc/51/92/01/613519201.db2.gz JHVKDBREZDICKJ-LSDHHAIUSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C=C)cc2)C[C@H]1C ZINC000947734774 613524020 /nfs/dbraw/zinc/52/40/20/613524020.db2.gz FTBVXYXTMLZMMF-CRAIPNDOSA-N 1 1 298.430 3.488 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C=C(C)C)C2)C1 ZINC000961111654 613528845 /nfs/dbraw/zinc/52/88/45/613528845.db2.gz KZECFMXINGUVLX-DLBZAZTESA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@H+]1C[C@@]2(C)CN(C(=O)c3ccccc3)C[C@@]2(C)C1 ZINC000982193137 613551753 /nfs/dbraw/zinc/55/17/53/613551753.db2.gz HECKXNBNNNMKGH-KDURUIRLSA-N 1 1 298.430 3.047 20 30 CGEDMO C=CCC[N@H+]1C[C@H](NC(=O)C=C2CCCCC2)C(C)(C)C1 ZINC000972846143 613553848 /nfs/dbraw/zinc/55/38/48/613553848.db2.gz OFRCTZDAEZMASZ-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)C2(C)CCCCCC2)C1 ZINC000971694333 613610772 /nfs/dbraw/zinc/61/07/72/613610772.db2.gz ZDAAMTRCTQOVQO-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)CCC2CCCCC2)C1 ZINC000980316544 613611620 /nfs/dbraw/zinc/61/16/20/613611620.db2.gz KCPNWEKWNAHTOH-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC1(C)C ZINC000968991507 613683188 /nfs/dbraw/zinc/68/31/88/613683188.db2.gz ZOKXBOQJJGJQRW-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@]2(C)CC=CCC2)CC1 ZINC000948405364 613701874 /nfs/dbraw/zinc/70/18/74/613701874.db2.gz SPKSJUQGNVMIAE-AEFFLSMTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000961418973 613703770 /nfs/dbraw/zinc/70/37/70/613703770.db2.gz DKYKDTMZKHGGMD-INIZCTEOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC000968695613 613731840 /nfs/dbraw/zinc/73/18/40/613731840.db2.gz SDYUFQDMQOTVBK-ZIAGYGMSSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C2=CCCCCC2)C[C@H]1C ZINC000947240638 613740820 /nfs/dbraw/zinc/74/08/20/613740820.db2.gz QPLIQJBUZYUZHG-GDBMZVCRSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3occc3c2)C[C@H]1C ZINC000947334760 613753396 /nfs/dbraw/zinc/75/33/96/613753396.db2.gz RRMQTXNUINXJOF-CZUORRHYSA-N 1 1 298.386 3.202 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2sc(C)cc2C)C[C@H]1C ZINC000947352524 613762805 /nfs/dbraw/zinc/76/28/05/613762805.db2.gz MEGDEUGEEYKMFT-TZMCWYRMSA-N 1 1 292.448 3.134 20 30 CGEDMO C=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC000968566780 613772425 /nfs/dbraw/zinc/77/24/25/613772425.db2.gz XXBLOYFEERVWRB-LUKYLMHMSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2(C3CCC3)CCC2)C[C@H]1C ZINC000947579415 613779452 /nfs/dbraw/zinc/77/94/52/613779452.db2.gz AUQFADHEYSDHEF-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)C2CCCCCC2)C(C)(C)C1 ZINC000940619901 613781021 /nfs/dbraw/zinc/78/10/21/613781021.db2.gz CQZVCEFJGCODOF-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)c2ccsc2Cl)[C@H](C)C1 ZINC000943332983 613794258 /nfs/dbraw/zinc/79/42/58/613794258.db2.gz GTHLWVVVLVMFOA-PWSUYJOCSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C(C)(C)C1 ZINC000977500285 613827178 /nfs/dbraw/zinc/82/71/78/613827178.db2.gz JIGHQFYVEDYWGI-JYJNAYRXSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(C)cc3)C[C@@H]2C1 ZINC000980215497 613833936 /nfs/dbraw/zinc/83/39/36/613833936.db2.gz LKRPNIKPRJGKSL-KSZLIROESA-N 1 1 298.430 3.011 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccc(F)c(F)c2)no1 ZINC000899997833 620743690 /nfs/dbraw/zinc/74/36/90/620743690.db2.gz JUMDVLBQFBCQSB-LBPRGKRZSA-N 1 1 279.290 3.371 20 30 CGEDMO C[C@@H]1CC(=NOC2CCC2)C[N@H+]1Cc1ccccc1 ZINC000812235810 617742164 /nfs/dbraw/zinc/74/21/64/617742164.db2.gz QMEQDPZRTIQSNM-CYBMUJFWSA-N 1 1 258.365 3.206 20 30 CGEDMO C[C@H](COCC1CCCCC1)[NH2+]Cc1ccncc1C#N ZINC000932422858 617742933 /nfs/dbraw/zinc/74/29/33/617742933.db2.gz MYPMOWAJYZZESC-CQSZACIVSA-N 1 1 287.407 3.028 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC2CCCC2)C1 ZINC001021508136 618015890 /nfs/dbraw/zinc/01/58/90/618015890.db2.gz GBZDCBIQALUYAK-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO CC[N@H+]1CCC[C@@H]1CNc1nc2ccccc2cc1C#N ZINC000071385747 618087955 /nfs/dbraw/zinc/08/79/55/618087955.db2.gz MNCCBWKPQUIZKL-OAHLLOKOSA-N 1 1 280.375 3.003 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CC[C@H](Cc2nc(C)cs2)C1 ZINC000933126813 618159003 /nfs/dbraw/zinc/15/90/03/618159003.db2.gz RQHMCZSXBOSFKD-CHWSQXEVSA-N 1 1 250.411 3.281 20 30 CGEDMO C#CC[N@@H+](C[C@H]1CCOC1)[C@H]1CCCc2ccccc21 ZINC000933418453 618229079 /nfs/dbraw/zinc/22/90/79/618229079.db2.gz JVDDQMYNVKAHGC-QAPCUYQASA-N 1 1 269.388 3.036 20 30 CGEDMO CC[N@@H+](C[C@H](C)C#N)CC1(CCCOC)CCC1 ZINC000891716296 618256424 /nfs/dbraw/zinc/25/64/24/618256424.db2.gz NOVATAYKCHFORS-CQSZACIVSA-N 1 1 252.402 3.065 20 30 CGEDMO CCCO[C@@H]1CCC[N@@H+](Cc2csc(C#N)c2)CC1 ZINC000892008814 618485875 /nfs/dbraw/zinc/48/58/75/618485875.db2.gz WTGDQZBSLKHDRZ-CQSZACIVSA-N 1 1 278.421 3.401 20 30 CGEDMO C[C@@H](NN=C1CCC[N@H+]2CCCC[C@@H]12)C(C)(C)C ZINC000848409653 618496552 /nfs/dbraw/zinc/49/65/52/618496552.db2.gz CBRXMKQENKIUPP-OCCSQVGLSA-N 1 1 251.418 3.015 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1CC(=O)Nc1ccccc1C(F)(F)F ZINC000934469399 618626626 /nfs/dbraw/zinc/62/66/26/618626626.db2.gz BTIRQZAQJFCHKW-NSHDSACASA-N 1 1 298.308 3.294 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1CC(=O)Nc1ccccc1C(F)(F)F ZINC000934469399 618626629 /nfs/dbraw/zinc/62/66/29/618626629.db2.gz BTIRQZAQJFCHKW-NSHDSACASA-N 1 1 298.308 3.294 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000934470607 618627513 /nfs/dbraw/zinc/62/75/13/618627513.db2.gz OQGZWAFSNVEKRH-GJZGRUSLSA-N 1 1 272.392 3.281 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000934470607 618627516 /nfs/dbraw/zinc/62/75/16/618627516.db2.gz OQGZWAFSNVEKRH-GJZGRUSLSA-N 1 1 272.392 3.281 20 30 CGEDMO Brc1ccc(C=NNc2cc[nH+]cc2)cc1 ZINC000309194030 618650679 /nfs/dbraw/zinc/65/06/79/618650679.db2.gz RAOKMTZFYCAPEF-UHFFFAOYSA-N 1 1 276.137 3.290 20 30 CGEDMO CCCCCCCC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000161980214 618732824 /nfs/dbraw/zinc/73/28/24/618732824.db2.gz LVMIUVXVQILRBW-INIZCTEOSA-N 1 1 282.472 3.441 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1ccc(-n2ccnc2)nc1 ZINC000177267204 618812440 /nfs/dbraw/zinc/81/24/40/618812440.db2.gz RZSIUIIGOJLXKW-UHFFFAOYSA-N 1 1 284.407 3.446 20 30 CGEDMO CCOCOc1ccc(C[N@H+](CC)C[C@@H](C)C#N)cc1 ZINC000783424627 618911035 /nfs/dbraw/zinc/91/10/35/618911035.db2.gz PMKYVDAQNXLJOS-AWEZNQCLSA-N 1 1 276.380 3.041 20 30 CGEDMO CCOCOc1ccc(C[N@@H+](CC)C[C@@H](C)C#N)cc1 ZINC000783424627 618911037 /nfs/dbraw/zinc/91/10/37/618911037.db2.gz PMKYVDAQNXLJOS-AWEZNQCLSA-N 1 1 276.380 3.041 20 30 CGEDMO COc1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2)o1 ZINC000893077476 618990148 /nfs/dbraw/zinc/99/01/48/618990148.db2.gz JFFVNKNCZZJDCD-LLVKDONJSA-N 1 1 256.305 3.011 20 30 CGEDMO CCOc1ccc(C[NH2+][C@@H](C)c2cccc(C#N)c2)o1 ZINC000893078585 618990317 /nfs/dbraw/zinc/99/03/17/618990317.db2.gz STAKPMSJWQTJEM-LBPRGKRZSA-N 1 1 270.332 3.401 20 30 CGEDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1CC1CCC(C#N)CC1 ZINC000930456004 618993019 /nfs/dbraw/zinc/99/30/19/618993019.db2.gz SFXHXPPICHNTPA-ZGRYLRDCSA-N 1 1 278.440 3.332 20 30 CGEDMO CSC[C@H]1CCC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000930559540 619017485 /nfs/dbraw/zinc/01/74/85/619017485.db2.gz MQEQUODTBYCGLK-NRXISQOPSA-N 1 1 266.454 3.391 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)o2)C1 ZINC000930924807 619092394 /nfs/dbraw/zinc/09/23/94/619092394.db2.gz WGMIFOKNIBDHLC-CQSZACIVSA-N 1 1 281.359 3.467 20 30 CGEDMO CC1(C)C[C@@H]([NH3+])C[C@H](NC2(c3cccc(C#N)c3)CC2)C1 ZINC000925632400 619098056 /nfs/dbraw/zinc/09/80/56/619098056.db2.gz BOGKTPSUGVWONJ-HOTGVXAUSA-N 1 1 283.419 3.043 20 30 CGEDMO CC(C)(C#N)c1ccccc1CO[NH+]=C(N)C1CCCC1 ZINC000178378705 619101783 /nfs/dbraw/zinc/10/17/83/619101783.db2.gz NJZVKGOOHSFJDI-UHFFFAOYSA-N 1 1 285.391 3.467 20 30 CGEDMO CCOCCC[N@H+]1CCC(=NOC2CCCCC2)[C@H](C)C1 ZINC000777456463 619154215 /nfs/dbraw/zinc/15/42/15/619154215.db2.gz AEFLDJOVNIWBPI-OAHLLOKOSA-N 1 1 296.455 3.460 20 30 CGEDMO COc1cccc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)c1C ZINC000931473610 619178019 /nfs/dbraw/zinc/17/80/19/619178019.db2.gz AUOOGWUNISBFCU-ZFWWWQNUSA-N 1 1 258.365 3.128 20 30 CGEDMO COc1cccc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)c1C ZINC000931473610 619178023 /nfs/dbraw/zinc/17/80/23/619178023.db2.gz AUOOGWUNISBFCU-ZFWWWQNUSA-N 1 1 258.365 3.128 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001009698750 619189277 /nfs/dbraw/zinc/18/92/77/619189277.db2.gz SWEBFJFWODAUOW-GPANFISMSA-N 1 1 292.467 3.215 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)cs1 ZINC000893502930 619195224 /nfs/dbraw/zinc/19/52/24/619195224.db2.gz WWRNYMGIYXCWEU-AWEZNQCLSA-N 1 1 283.400 3.079 20 30 CGEDMO COc1c(C)cc(C[NH2+]CC2(C#N)CCC2)cc1C ZINC000258881978 619234410 /nfs/dbraw/zinc/23/44/10/619234410.db2.gz JEEKOFYBDZDTEQ-UHFFFAOYSA-N 1 1 258.365 3.096 20 30 CGEDMO C=CC[N@H+](C)Cc1cn(CC)nc1-c1ccccc1 ZINC000894495559 619555903 /nfs/dbraw/zinc/55/59/03/619555903.db2.gz PGKHBJZPRHHNRQ-UHFFFAOYSA-N 1 1 255.365 3.188 20 30 CGEDMO C#C[C@H]([NH2+]Cc1cccc2c1CCOC2)c1ccc(F)cc1 ZINC000894815716 619641069 /nfs/dbraw/zinc/64/10/69/619641069.db2.gz BACSCBRFVMUUGQ-IBGZPJMESA-N 1 1 295.357 3.363 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCSC[C@H]2C2CCC2)cs1 ZINC000894962587 619689170 /nfs/dbraw/zinc/68/91/70/619689170.db2.gz WUWJBFSKPHPWLW-AWEZNQCLSA-N 1 1 278.446 3.337 20 30 CGEDMO Cc1cnc(Cl)c(C[N@@H+]2CCC[C@H](CC#N)C2)c1 ZINC000895313445 619804400 /nfs/dbraw/zinc/80/44/00/619804400.db2.gz GPYBTUBZRCURCO-GFCCVEGCSA-N 1 1 263.772 3.169 20 30 CGEDMO Cc1cnc(Cl)c(C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000895313445 619804403 /nfs/dbraw/zinc/80/44/03/619804403.db2.gz GPYBTUBZRCURCO-GFCCVEGCSA-N 1 1 263.772 3.169 20 30 CGEDMO C=CCC1([NH2+]C2CCN(CCC(C)C)CC2)CCOCC1 ZINC000895367714 619814652 /nfs/dbraw/zinc/81/46/52/619814652.db2.gz XQCKPMFKUOEHJI-UHFFFAOYSA-N 1 1 294.483 3.212 20 30 CGEDMO N#Cc1csc(C[N@H+]2CC[C@H](c3nccs3)C2)c1 ZINC000895580608 619855649 /nfs/dbraw/zinc/85/56/49/619855649.db2.gz HUIXEAAVMXWJGU-NSHDSACASA-N 1 1 275.402 3.066 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@@H](O)C[C@H]2c2ccccc2)cs1 ZINC000895708428 619874779 /nfs/dbraw/zinc/87/47/79/619874779.db2.gz KRCFMDVCVYXJTC-WBVHZDCISA-N 1 1 298.411 3.318 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](O)C[C@H]2c2ccccc2)cs1 ZINC000895708428 619874782 /nfs/dbraw/zinc/87/47/82/619874782.db2.gz KRCFMDVCVYXJTC-WBVHZDCISA-N 1 1 298.411 3.318 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@H](O)C[C@@H]2c2ccccc2)cs1 ZINC000895708425 619874820 /nfs/dbraw/zinc/87/48/20/619874820.db2.gz KRCFMDVCVYXJTC-DOTOQJQBSA-N 1 1 298.411 3.318 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CC[C@H](O)C[C@@H]2c2ccccc2)cs1 ZINC000895708425 619874821 /nfs/dbraw/zinc/87/48/21/619874821.db2.gz KRCFMDVCVYXJTC-DOTOQJQBSA-N 1 1 298.411 3.318 20 30 CGEDMO CC(C)c1[nH+]ccn1CCNc1nc(Cl)c(C#N)s1 ZINC000895987430 619922031 /nfs/dbraw/zinc/92/20/31/619922031.db2.gz FNLQPLVRTGOJQX-UHFFFAOYSA-N 1 1 295.799 3.100 20 30 CGEDMO C#CC1([NH2+]Cc2ncc(Br)cc2F)CCCC1 ZINC000883361894 619966255 /nfs/dbraw/zinc/96/62/55/619966255.db2.gz ODHVGERAUVPELY-UHFFFAOYSA-N 1 1 297.171 3.019 20 30 CGEDMO N#Cc1csc(C[N@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)c1 ZINC000896234020 619972193 /nfs/dbraw/zinc/97/21/93/619972193.db2.gz YWNNYHYUZGKXSI-DOTOQJQBSA-N 1 1 280.396 3.393 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)CC2CCCCC2)CC1 ZINC000985247748 620142757 /nfs/dbraw/zinc/14/27/57/620142757.db2.gz LLKBVOVMUKTRMU-UHFFFAOYSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)C(C)(C)C(=C)C)CC1 ZINC000985568003 620212920 /nfs/dbraw/zinc/21/29/20/620212920.db2.gz CMVTZUCTFLSODI-UHFFFAOYSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@H](C)C2)CC1 ZINC000985616778 620222553 /nfs/dbraw/zinc/22/25/53/620222553.db2.gz ZWGSKGMLEBINBN-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@]23C[C@H]2CCCC3)CC1 ZINC000985633529 620223283 /nfs/dbraw/zinc/22/32/83/620223283.db2.gz RZWCKVQORFMZEE-CRAIPNDOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000985778750 620238632 /nfs/dbraw/zinc/23/86/32/620238632.db2.gz KGHYBMPPDXKZKK-UHFFFAOYSA-N 1 1 292.467 3.456 20 30 CGEDMO CC(C)CC(N)=[NH+]OCc1coc(-c2ccccc2)n1 ZINC000067711935 620375763 /nfs/dbraw/zinc/37/57/63/620375763.db2.gz VPTYXGITLHVKMM-UHFFFAOYSA-N 1 1 273.336 3.177 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCN(c2ccccc2)[C@H](C)C1 ZINC000898067520 620474009 /nfs/dbraw/zinc/47/40/09/620474009.db2.gz GHUGNQPTUZEFDQ-JKSUJKDBSA-N 1 1 271.408 3.137 20 30 CGEDMO C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000898306059 620509128 /nfs/dbraw/zinc/50/91/28/620509128.db2.gz DBMWGEJRAZNLSL-UHFFFAOYSA-N 1 1 299.462 3.261 20 30 CGEDMO C[C@H](c1ccc(F)nc1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000929162716 620518695 /nfs/dbraw/zinc/51/86/95/620518695.db2.gz SMQDHAKVPQMJED-GFCCVEGCSA-N 1 1 269.323 3.285 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)C=C3CCCCC3)CCC[C@@H]12 ZINC000989997587 620535003 /nfs/dbraw/zinc/53/50/03/620535003.db2.gz BGRSWMWMYYENHV-AEFFLSMTSA-N 1 1 288.435 3.176 20 30 CGEDMO Cc1ccc(C[NH2+][C@H](C)c2cn3c(n2)CCCC3)cc1C#N ZINC000926959404 620555273 /nfs/dbraw/zinc/55/52/73/620555273.db2.gz BQJNTQVTTJEFIV-CQSZACIVSA-N 1 1 294.402 3.250 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)OCCCCC(C)(C)C#N ZINC000923890522 620565399 /nfs/dbraw/zinc/56/53/99/620565399.db2.gz YGYXYABIIZTHJS-CQSZACIVSA-N 1 1 280.412 3.122 20 30 CGEDMO C=CC(C)(C)[NH2+]Cc1nnn(-c2ccccc2)c1C1CC1 ZINC000898460277 620589827 /nfs/dbraw/zinc/58/98/27/620589827.db2.gz JMBMMIHCZLFHNL-UHFFFAOYSA-N 1 1 282.391 3.199 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000901318216 620859359 /nfs/dbraw/zinc/85/93/59/620859359.db2.gz QOELJODTHILWGN-CQSZACIVSA-N 1 1 291.782 3.023 20 30 CGEDMO CC1(C)C[NH2+]CC[C@@H](NC2(c3ccc(C#N)cc3)CCC2)C1 ZINC000902393039 621302965 /nfs/dbraw/zinc/30/29/65/621302965.db2.gz NQFRPIWIJGUGHQ-QGZVFWFLSA-N 1 1 297.446 3.305 20 30 CGEDMO C[C@@H]([NH2+][C@@H]1CCCc2occc21)c1cc(C#N)ccn1 ZINC000902741566 621422153 /nfs/dbraw/zinc/42/21/53/621422153.db2.gz DMYYBPPVHKTXDL-BXUZGUMPSA-N 1 1 267.332 3.274 20 30 CGEDMO COc1ccc(C)cc1C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902850526 621472800 /nfs/dbraw/zinc/47/28/00/621472800.db2.gz OROAXMOXCRRNHT-ZDUSSCGKSA-N 1 1 281.359 3.121 20 30 CGEDMO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1cc(C#N)ccn1 ZINC000902898138 621480931 /nfs/dbraw/zinc/48/09/31/621480931.db2.gz YCDCTFONCVJQFW-NWDGAFQWSA-N 1 1 296.330 3.273 20 30 CGEDMO CC[C@@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1c(C)noc1C ZINC000902888070 621486496 /nfs/dbraw/zinc/48/64/96/621486496.db2.gz PUNXIIWTYVMRDC-IINYFYTJSA-N 1 1 284.363 3.360 20 30 CGEDMO C[C@H]([NH2+]C1(c2ccc(F)cc2)CC1)c1cc(C#N)ccn1 ZINC000902910259 621494985 /nfs/dbraw/zinc/49/49/85/621494985.db2.gz GANYOZFYYJUKMR-LBPRGKRZSA-N 1 1 281.334 3.432 20 30 CGEDMO CC[C@H]([NH2+]Cc1ncnn1C(C)(C)C)c1cccc(C#N)c1 ZINC000902981911 621511124 /nfs/dbraw/zinc/51/11/24/621511124.db2.gz SCPMQCUXWGYMDJ-HNNXBMFYSA-N 1 1 297.406 3.146 20 30 CGEDMO N#CC1(C[NH2+][C@@H]2CCCc3ccc(O)cc32)CCC1 ZINC000903032274 621535383 /nfs/dbraw/zinc/53/53/83/621535383.db2.gz IFQYQGSDSDIPRO-OAHLLOKOSA-N 1 1 256.349 3.053 20 30 CGEDMO CC[C@H]([NH2+]CC(C)(C)C#N)c1ccc(C(=O)OC)cc1 ZINC000903101140 621574592 /nfs/dbraw/zinc/57/45/92/621574592.db2.gz AVUMRGUQRDXNFB-AWEZNQCLSA-N 1 1 274.364 3.064 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1cc(-c2ccccc2)nn1C ZINC000903105929 621578066 /nfs/dbraw/zinc/57/80/66/621578066.db2.gz IWTNPASBNBUJBO-CYBMUJFWSA-N 1 1 280.375 3.041 20 30 CGEDMO N#CC1(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000903106427 621580789 /nfs/dbraw/zinc/58/07/89/621580789.db2.gz QBHVUCVQGJGQAD-ZDUSSCGKSA-N 1 1 276.767 3.447 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1ccc(F)cc1O ZINC000903108550 621581827 /nfs/dbraw/zinc/58/18/27/621581827.db2.gz CZCQPYVCYFXELP-LLVKDONJSA-N 1 1 262.328 3.266 20 30 CGEDMO N#CC1(C[NH2+][C@H](c2cncc(F)c2)C2CC2)CCCC1 ZINC000903109310 621582602 /nfs/dbraw/zinc/58/26/02/621582602.db2.gz NCOAEYAZJMZKGX-HNNXBMFYSA-N 1 1 273.355 3.345 20 30 CGEDMO CC[C@@H]([NH2+]Cc1cc(N(C)C)ccn1)c1cccc(C#N)c1 ZINC000903197540 621623141 /nfs/dbraw/zinc/62/31/41/621623141.db2.gz QKCVZLCTYXSVGI-GOSISDBHSA-N 1 1 294.402 3.260 20 30 CGEDMO N#CC1(C[NH2+][C@@H](c2ccccc2F)C2CCOCC2)CC1 ZINC000903220809 621633732 /nfs/dbraw/zinc/63/37/32/621633732.db2.gz OKRYVLYBOGTYHV-MRXNPFEDSA-N 1 1 288.366 3.187 20 30 CGEDMO N#CC1(CCCCN[C@H]2CC[NH2+]C23CCCC3)CCC1 ZINC000903784217 621807412 /nfs/dbraw/zinc/80/74/12/621807412.db2.gz LWIIYJUVWMACDI-HNNXBMFYSA-N 1 1 275.440 3.115 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)[C@H]2C[C@@H]2c2cccc(F)c2)n1 ZINC000906589246 622250084 /nfs/dbraw/zinc/25/00/84/622250084.db2.gz UVRIGVAHAZRCRK-MSOLQXFVSA-N 1 1 297.377 3.033 20 30 CGEDMO C=C1CCC(C(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)CC1 ZINC000908359421 622345013 /nfs/dbraw/zinc/34/50/13/622345013.db2.gz VNIMAROTJGXFOW-OAHLLOKOSA-N 1 1 290.451 3.066 20 30 CGEDMO CC(C)OCCC[N@@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000769461866 625570347 /nfs/dbraw/zinc/57/03/47/625570347.db2.gz ABRLGUZFZWNEFF-OAHLLOKOSA-N 1 1 290.407 3.224 20 30 CGEDMO CCCCCCCCCC[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000157338633 622897615 /nfs/dbraw/zinc/89/76/15/622897615.db2.gz IEXCUYVBQCSEOW-OAHLLOKOSA-N 1 1 289.485 3.246 20 30 CGEDMO C=CCc1cc(OCC)cc(C[N@H+](CC)CCC#N)c1O ZINC000060159873 623030713 /nfs/dbraw/zinc/03/07/13/623030713.db2.gz LHCGWRIJOZFCNW-UHFFFAOYSA-N 1 1 288.391 3.255 20 30 CGEDMO C=CCc1cc(OCC)cc(C[N@@H+](CC)CCC#N)c1O ZINC000060159873 623030718 /nfs/dbraw/zinc/03/07/18/623030718.db2.gz LHCGWRIJOZFCNW-UHFFFAOYSA-N 1 1 288.391 3.255 20 30 CGEDMO C[NH+](C)[C@H](CNCc1cccc(C#N)c1)C1CCCCC1 ZINC000061070480 623097648 /nfs/dbraw/zinc/09/76/48/623097648.db2.gz LXAOKAZGHQRYHP-GOSISDBHSA-N 1 1 285.435 3.158 20 30 CGEDMO C#C[C@@H](CC)[NH2+]Cc1cc(F)ccc1Br ZINC000229515374 623139601 /nfs/dbraw/zinc/13/96/01/623139601.db2.gz GMCBBYDFIGUQSV-NSHDSACASA-N 1 1 270.145 3.090 20 30 CGEDMO Cc1csc(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)n1 ZINC000171562991 623173450 /nfs/dbraw/zinc/17/34/50/623173450.db2.gz VSTHHUZTLUPFEE-LBPRGKRZSA-N 1 1 287.388 3.032 20 30 CGEDMO C=C(C)C[N@@H+](CC)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000172730084 623273031 /nfs/dbraw/zinc/27/30/31/623273031.db2.gz WAWOGDBTUUEYBN-AWEZNQCLSA-N 1 1 282.428 3.141 20 30 CGEDMO CSCCCO[NH+]=C(N)CCCc1ccccc1 ZINC000174134854 623365504 /nfs/dbraw/zinc/36/55/04/623365504.db2.gz FGZZEQSAZXGSRE-UHFFFAOYSA-N 1 1 266.410 3.051 20 30 CGEDMO CC[N@H+](Cc1cc(Cl)cc(C#N)c1)C[C@H]1CCCO1 ZINC000929417527 623370979 /nfs/dbraw/zinc/37/09/79/623370979.db2.gz AJVWJYVEFCPBHW-OAHLLOKOSA-N 1 1 278.783 3.213 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC3(C)C)CCC[C@H]12 ZINC000992117873 623441187 /nfs/dbraw/zinc/44/11/87/623441187.db2.gz JHUGJRLMKBGFSQ-RLFYNMQTSA-N 1 1 290.451 3.112 20 30 CGEDMO N#Cc1cncc(C[N@H+](CCc2cccc(F)c2)C2CC2)c1 ZINC000929644539 623493239 /nfs/dbraw/zinc/49/32/39/623493239.db2.gz SLTUZEOVSDYBPG-UHFFFAOYSA-N 1 1 295.361 3.299 20 30 CGEDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1cncc(C#N)c1 ZINC000929653862 623496754 /nfs/dbraw/zinc/49/67/54/623496754.db2.gz HSLRMKOQWQMTFM-KDOFPFPSSA-N 1 1 277.371 3.331 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(C)cc3C)CCC[C@@H]12 ZINC000992486522 623596367 /nfs/dbraw/zinc/59/63/67/623596367.db2.gz HEMBXLQWQCEKJL-MJGOQNOKSA-N 1 1 298.430 3.216 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)oc2C)[C@@H]1C ZINC000993053160 623807911 /nfs/dbraw/zinc/80/79/11/623807911.db2.gz VDHCRVUPDKLICC-BBRMVZONSA-N 1 1 290.407 3.055 20 30 CGEDMO C[C@H](N[NH+]=C1CC[C@H]2CNc3cccc1c32)C(F)(F)F ZINC000834998174 623845787 /nfs/dbraw/zinc/84/57/87/623845787.db2.gz CZYYEWSTHCNFSF-IUCAKERBSA-N 1 1 283.297 3.234 20 30 CGEDMO CCCCCCCC(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000915627162 624015813 /nfs/dbraw/zinc/01/58/13/624015813.db2.gz FUQZUAZPRFTXPW-HNNXBMFYSA-N 1 1 268.445 3.195 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C2(F)CCCC2)[C@H]1C ZINC000993504481 624052273 /nfs/dbraw/zinc/05/22/73/624052273.db2.gz RDQGGODDHBGZQV-HUUCEWRRSA-N 1 1 296.430 3.204 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CCCC(C)(C)C2)C1 ZINC001015994302 625702350 /nfs/dbraw/zinc/70/23/50/625702350.db2.gz FKIIZPWPFDPQPV-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@@H]1C ZINC000994256414 624157602 /nfs/dbraw/zinc/15/76/02/624157602.db2.gz XTCHSEIWFNVYHL-LUKYLMHMSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+](C[C@@H](O)COCc1ccccc1Cl)C(C)C ZINC000917069753 624234202 /nfs/dbraw/zinc/23/42/02/624234202.db2.gz UNLFSMLXUADWFE-OAHLLOKOSA-N 1 1 297.826 3.114 20 30 CGEDMO C=CC[N@@H+](Cc1cc(=O)oc2c(C)c(O)ccc12)C(C)C ZINC000917166710 624248582 /nfs/dbraw/zinc/24/85/82/624248582.db2.gz BFOQKWBKGBNOCZ-UHFFFAOYSA-N 1 1 287.359 3.203 20 30 CGEDMO C=C(Cl)C[NH2+][C@H](C)c1ccnn1CC1CCC1 ZINC000925438128 624265704 /nfs/dbraw/zinc/26/57/04/624265704.db2.gz UUJQUJNVSBRNAM-LLVKDONJSA-N 1 1 253.777 3.086 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)CC1(O)CCCCC1 ZINC000920091587 624445856 /nfs/dbraw/zinc/44/58/56/624445856.db2.gz FNIWBJPUODYHCH-UHFFFAOYSA-N 1 1 259.393 3.370 20 30 CGEDMO C=CCn1c(C)nn(C[N@@H+](CC)C[C@H](C)CC)c1=S ZINC000174946206 624605214 /nfs/dbraw/zinc/60/52/14/624605214.db2.gz NQHNGGMAAMLLRE-GFCCVEGCSA-N 1 1 282.457 3.234 20 30 CGEDMO C=CCn1c(C)nn(C[N@H+](CC)C[C@H](C)CC)c1=S ZINC000174946206 624605216 /nfs/dbraw/zinc/60/52/16/624605216.db2.gz NQHNGGMAAMLLRE-GFCCVEGCSA-N 1 1 282.457 3.234 20 30 CGEDMO CCC[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)C1CC1 ZINC000180097372 624715091 /nfs/dbraw/zinc/71/50/91/624715091.db2.gz LHEIEGCRRCUWMA-CYBMUJFWSA-N 1 1 258.365 3.352 20 30 CGEDMO C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[C@H]2CC)CC1 ZINC000997764374 625755464 /nfs/dbraw/zinc/75/54/64/625755464.db2.gz JOYSQZFKIKRKTL-GZBFAFLISA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC23CC3)CC1 ZINC000998144359 625791493 /nfs/dbraw/zinc/79/14/93/625791493.db2.gz RFUOQKDABJPBFC-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)c2ccc(C=C)cc2)CC1 ZINC001001188889 625893189 /nfs/dbraw/zinc/89/31/89/625893189.db2.gz ZPHCKRCJSRRMSW-UHFFFAOYSA-N 1 1 296.414 3.268 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)/C(C)=C/C)CC1 ZINC001004397208 626047117 /nfs/dbraw/zinc/04/71/17/626047117.db2.gz BMSFNSAIWZNTJP-ZNZANGIRSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC1(C(=O)O[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000835397656 634482267 /nfs/dbraw/zinc/48/22/67/634482267.db2.gz UBQMKRQZIDBSML-CABCVRRESA-N 1 1 277.408 3.293 20 30 CGEDMO CCOc1cc(C[N@H+](CCC#N)CC(C)C)ccc1O ZINC000838784261 626253580 /nfs/dbraw/zinc/25/35/80/626253580.db2.gz SBSBYZZBAZGVLK-UHFFFAOYSA-N 1 1 276.380 3.163 20 30 CGEDMO CCOc1cc(C[N@@H+](CCC#N)CC(C)C)ccc1O ZINC000838784261 626253583 /nfs/dbraw/zinc/25/35/83/626253583.db2.gz SBSBYZZBAZGVLK-UHFFFAOYSA-N 1 1 276.380 3.163 20 30 CGEDMO COc1ccc2ccc(O)c(C[N@@H+](C)[C@@H](C)CC#N)c2c1 ZINC000103460896 626354196 /nfs/dbraw/zinc/35/41/96/626354196.db2.gz USWCSGLNDKDLIC-LBPRGKRZSA-N 1 1 284.359 3.288 20 30 CGEDMO N#CC1(CC[N@H+]2CCCC[C@H]2C2OCCO2)CCCCC1 ZINC000839481118 626355214 /nfs/dbraw/zinc/35/52/14/626355214.db2.gz OCVDJYUCOWFWJV-HNNXBMFYSA-N 1 1 292.423 3.078 20 30 CGEDMO C=CC[N@@H+](C[C@@H](O)c1ccccc1Br)C(C)C ZINC000751962864 626413024 /nfs/dbraw/zinc/41/30/24/626413024.db2.gz BWABGMHKAUQJBS-CQSZACIVSA-N 1 1 298.224 3.379 20 30 CGEDMO Brc1cnn([NH+]=C2CCC[C@H](C3CC3)C2)c1 ZINC000752748832 626437463 /nfs/dbraw/zinc/43/74/63/626437463.db2.gz ZXJHHBOAPOLTLH-JTQLQIEISA-N 1 1 282.185 3.450 20 30 CGEDMO CCc1ccccc1N=NC1C[C@H](C)[N@H+](C2CC2)C1 ZINC000753956978 626470013 /nfs/dbraw/zinc/47/00/13/626470013.db2.gz YYRUZBWTRDYWJW-LBPRGKRZSA-N 1 1 257.381 3.274 20 30 CGEDMO C=CC[N@@H+](C[C@@H](O)COc1cc(C)ccc1Cl)C(C)C ZINC000754007969 626471861 /nfs/dbraw/zinc/47/18/61/626471861.db2.gz RRNYUGZROHNVNX-CQSZACIVSA-N 1 1 297.826 3.285 20 30 CGEDMO N#CCC[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000020199478 634505009 /nfs/dbraw/zinc/50/50/09/634505009.db2.gz IPWJPYQMYNNPLE-UHFFFAOYSA-N 1 1 260.284 3.302 20 30 CGEDMO CC(C)[N@@H+]1CC(N=Nc2cc(F)c(F)cc2F)[C@@H](C)C1 ZINC000754257832 626565297 /nfs/dbraw/zinc/56/52/97/626565297.db2.gz FHHGEIPYZFEADQ-VIFPVBQESA-N 1 1 285.313 3.232 20 30 CGEDMO CCCCCCCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000755078021 626599884 /nfs/dbraw/zinc/59/98/84/626599884.db2.gz MDQROGYMBGFGTJ-CVEARBPZSA-N 1 1 295.471 3.225 20 30 CGEDMO CCCCCCCCC(=O)N[C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000755587163 626630006 /nfs/dbraw/zinc/63/00/06/626630006.db2.gz BASPJIOGOBPMCH-HUUCEWRRSA-N 1 1 268.445 3.193 20 30 CGEDMO CCc1[nH+]c(C=NNc2ccc(C#N)cc2)c2ccccn12 ZINC000755652073 626634123 /nfs/dbraw/zinc/63/41/23/626634123.db2.gz PRDXRBNXCCHXJV-UHFFFAOYSA-N 1 1 289.342 3.214 20 30 CGEDMO CCN(CC)c1ccc(C=[NH+]O[C@@H]2CCCCO2)c(O)c1 ZINC000755817287 626649985 /nfs/dbraw/zinc/64/99/85/626649985.db2.gz YJDWMYMTWLMHIO-MRXNPFEDSA-N 1 1 292.379 3.116 20 30 CGEDMO C[C@H]1C[N@H+](C2CC2)CC1N=Nc1cccc(Cl)c1F ZINC000755888776 626656136 /nfs/dbraw/zinc/65/61/36/626656136.db2.gz AASOOSSVICIDBN-VIFPVBQESA-N 1 1 281.762 3.361 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OCC)cn1)C1CCCCC1 ZINC000755910027 626659128 /nfs/dbraw/zinc/65/91/28/626659128.db2.gz CYZVCLDOIUFSTC-UHFFFAOYSA-N 1 1 272.392 3.248 20 30 CGEDMO C#CC[C@H]([NH2+][C@@H](CC)c1ccn(C)n1)c1ccccc1 ZINC000756774428 626731425 /nfs/dbraw/zinc/73/14/25/626731425.db2.gz CVAHFRIHSRRMLN-HOTGVXAUSA-N 1 1 267.376 3.225 20 30 CGEDMO C#CC[N@@H+](CC(=O)Nc1ccc(CC)cc1)C1CCCC1 ZINC000756910486 626740934 /nfs/dbraw/zinc/74/09/34/626740934.db2.gz BUYIMBUUCDLZGQ-UHFFFAOYSA-N 1 1 284.403 3.065 20 30 CGEDMO C#CC[N@H+](CC(=O)Nc1ccc(CC)cc1)C1CCCC1 ZINC000756910486 626740935 /nfs/dbraw/zinc/74/09/35/626740935.db2.gz BUYIMBUUCDLZGQ-UHFFFAOYSA-N 1 1 284.403 3.065 20 30 CGEDMO C#CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)C1CCCC1 ZINC000756910933 626741232 /nfs/dbraw/zinc/74/12/32/626741232.db2.gz DZRTZPPHINXUTE-UHFFFAOYSA-N 1 1 290.794 3.156 20 30 CGEDMO C#CC[N@H+](CC(=O)Nc1ccc(Cl)cc1)C1CCCC1 ZINC000756910933 626741233 /nfs/dbraw/zinc/74/12/33/626741233.db2.gz DZRTZPPHINXUTE-UHFFFAOYSA-N 1 1 290.794 3.156 20 30 CGEDMO C#CC[C@H]([NH2+]Cc1cn2ccccc2n1)c1ccccc1 ZINC000756996079 626745748 /nfs/dbraw/zinc/74/57/48/626745748.db2.gz NRAXEJWHHGYWGR-KRWDZBQOSA-N 1 1 275.355 3.189 20 30 CGEDMO C#CCC[N@H+](CC)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000760827677 626995245 /nfs/dbraw/zinc/99/52/45/626995245.db2.gz LZZZGYXSJMUQPS-WMZOPIPTSA-N 1 1 270.420 3.167 20 30 CGEDMO C#CCCN(CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000760827677 626995247 /nfs/dbraw/zinc/99/52/47/626995247.db2.gz LZZZGYXSJMUQPS-WMZOPIPTSA-N 1 1 270.420 3.167 20 30 CGEDMO C#CCCN(CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000760827677 626995249 /nfs/dbraw/zinc/99/52/49/626995249.db2.gz LZZZGYXSJMUQPS-WMZOPIPTSA-N 1 1 270.420 3.167 20 30 CGEDMO C[C@@H]1CC(N=Nc2nc(-c3ccccc3)cs2)C[N@@H+]1C ZINC000761803452 627061601 /nfs/dbraw/zinc/06/16/01/627061601.db2.gz BIHCBLGGGWBKLO-LLVKDONJSA-N 1 1 286.404 3.302 20 30 CGEDMO C[C@@H]1CC(N=Nc2nc(-c3ccccc3)cs2)C[N@H+]1C ZINC000761803452 627061602 /nfs/dbraw/zinc/06/16/02/627061602.db2.gz BIHCBLGGGWBKLO-LLVKDONJSA-N 1 1 286.404 3.302 20 30 CGEDMO C#CC[N@@H+](Cc1ccnc(OC)c1)[C@H]1CCc2ccccc21 ZINC000762915638 627131911 /nfs/dbraw/zinc/13/19/11/627131911.db2.gz BNCYFOJDLSIZHE-SFHVURJKSA-N 1 1 292.382 3.213 20 30 CGEDMO C#CC[N@H+](Cc1ccnc(OC)c1)[C@H]1CCc2ccccc21 ZINC000762915638 627131914 /nfs/dbraw/zinc/13/19/14/627131914.db2.gz BNCYFOJDLSIZHE-SFHVURJKSA-N 1 1 292.382 3.213 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1cc2cc(OC)ccc2o1 ZINC000763476730 627159974 /nfs/dbraw/zinc/15/99/74/627159974.db2.gz GZBRGQLTMDYKCR-UHFFFAOYSA-N 1 1 251.713 3.284 20 30 CGEDMO C[C@H]1C[N@H+](C[C@H](C#N)CCC#N)Cc2ccccc21 ZINC000763629182 627170821 /nfs/dbraw/zinc/17/08/21/627170821.db2.gz PSAPBAQLIRDGTA-KBPBESRZSA-N 1 1 253.349 3.049 20 30 CGEDMO C[C@H]1C[N@@H+](C[C@H](C#N)CCC#N)Cc2ccccc21 ZINC000763629182 627170824 /nfs/dbraw/zinc/17/08/24/627170824.db2.gz PSAPBAQLIRDGTA-KBPBESRZSA-N 1 1 253.349 3.049 20 30 CGEDMO Fc1cc(N=NC2CC[N@H+]3CCC[C@@H]23)ccc1Cl ZINC000765580405 627260964 /nfs/dbraw/zinc/26/09/64/627260964.db2.gz HXRGUMZMPLYDEQ-ZDUSSCGKSA-N 1 1 267.735 3.115 20 30 CGEDMO C#CCOc1ccc([C@H](C)NCC[N@@H+](C)[C@H](C)CC)cc1 ZINC000765654558 627265372 /nfs/dbraw/zinc/26/53/72/627265372.db2.gz KILZCQHPVDFSFU-CVEARBPZSA-N 1 1 288.435 3.080 20 30 CGEDMO C#CCOc1ccc([C@H](C)NCC[N@H+](C)[C@H](C)CC)cc1 ZINC000765654558 627265376 /nfs/dbraw/zinc/26/53/76/627265376.db2.gz KILZCQHPVDFSFU-CVEARBPZSA-N 1 1 288.435 3.080 20 30 CGEDMO C#CCOc1ccc([C@H](C)N[C@H](C)C[NH+](CC)CC)cc1 ZINC000765769423 627269916 /nfs/dbraw/zinc/26/99/16/627269916.db2.gz UUHMIHLKYCVTFI-CVEARBPZSA-N 1 1 288.435 3.080 20 30 CGEDMO C#CCCC[N@H+](CCc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000766902120 627369039 /nfs/dbraw/zinc/36/90/39/627369039.db2.gz DAAJVMBQZFECSZ-IBGZPJMESA-N 1 1 285.431 3.432 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@H](C)[C@@H]1CNC(=O)OC(C)(C)C ZINC000766904112 627369234 /nfs/dbraw/zinc/36/92/34/627369234.db2.gz WPWDAKPOGRMCJU-GJZGRUSLSA-N 1 1 294.439 3.025 20 30 CGEDMO C#CCCC[N@@H+]([C@@H](Cc1ccccc1)C(=O)OCC)C1CC1 ZINC000766915716 627370013 /nfs/dbraw/zinc/37/00/13/627370013.db2.gz HKUVVGLJVSEYFO-SFHVURJKSA-N 1 1 299.414 3.039 20 30 CGEDMO C#CCCC[N@H+]([C@@H](Cc1ccccc1)C(=O)OCC)C1CC1 ZINC000766915716 627370018 /nfs/dbraw/zinc/37/00/18/627370018.db2.gz HKUVVGLJVSEYFO-SFHVURJKSA-N 1 1 299.414 3.039 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000766923365 627370977 /nfs/dbraw/zinc/37/09/77/627370977.db2.gz NFIINBLWGZVLON-ZDUSSCGKSA-N 1 1 261.390 3.199 20 30 CGEDMO C[C@@H]1CCC(=[NH+]n2cc(Br)cn2)C[C@@H]1C ZINC000767388843 627404496 /nfs/dbraw/zinc/40/44/96/627404496.db2.gz XVASDOMLAJQISR-BDAKNGLRSA-N 1 1 270.174 3.306 20 30 CGEDMO CC1(C)CCC[N@@H+](CCNc2snc(Cl)c2C#N)C1 ZINC000767438720 627408613 /nfs/dbraw/zinc/40/86/13/627408613.db2.gz BECIQTATNVSMRN-UHFFFAOYSA-N 1 1 298.843 3.202 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000767991447 627448698 /nfs/dbraw/zinc/44/86/98/627448698.db2.gz VQRRBKDFRMPIOO-RDJZCZTQSA-N 1 1 287.403 3.406 20 30 CGEDMO CC#CCCCC(=O)O[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000768012947 627449751 /nfs/dbraw/zinc/44/97/51/627449751.db2.gz MZXOFXJVVADGSA-SFHVURJKSA-N 1 1 299.414 3.388 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2C[C@@H](C)OC[C@@H]2CC)cc1 ZINC000768172465 627465531 /nfs/dbraw/zinc/46/55/31/627465531.db2.gz PSCWJSNANOMQSW-WBVHZDCISA-N 1 1 287.403 3.088 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+]1CCc2sccc2C1 ZINC000768235041 627470251 /nfs/dbraw/zinc/47/02/51/627470251.db2.gz WALCNONAMMNCFW-UHFFFAOYSA-N 1 1 283.396 3.318 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CCc2sccc2C1 ZINC000768235041 627470255 /nfs/dbraw/zinc/47/02/55/627470255.db2.gz WALCNONAMMNCFW-UHFFFAOYSA-N 1 1 283.396 3.318 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cs1)Cc1ccc([N+](=O)[O-])cc1 ZINC000768337514 627474287 /nfs/dbraw/zinc/47/42/87/627474287.db2.gz RJXUUUHVQYQUOS-UHFFFAOYSA-N 1 1 287.344 3.160 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1ccc([N+](=O)[O-])cc1 ZINC000768337514 627474290 /nfs/dbraw/zinc/47/42/90/627474290.db2.gz RJXUUUHVQYQUOS-UHFFFAOYSA-N 1 1 287.344 3.160 20 30 CGEDMO C[N@@H+](CCOc1cccc(F)c1)Cc1cc(C#N)cs1 ZINC000768831907 627502649 /nfs/dbraw/zinc/50/26/49/627502649.db2.gz WZSQZCRRELUCIB-UHFFFAOYSA-N 1 1 290.363 3.270 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)Cc2ccoc2)cc1 ZINC000769003109 627515539 /nfs/dbraw/zinc/51/55/39/627515539.db2.gz ANIMKUFULQMPHP-ZDUSSCGKSA-N 1 1 270.332 3.202 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccc(OC)c(OCC(=C)C)c1 ZINC000769110772 627523398 /nfs/dbraw/zinc/52/33/98/627523398.db2.gz HICLCONTEGHJKO-UHFFFAOYSA-N 1 1 273.376 3.105 20 30 CGEDMO C#CC[N@H+](Cc1ccc(COC)o1)C1CCCCC1 ZINC000769146261 627525191 /nfs/dbraw/zinc/52/51/91/627525191.db2.gz QGWPUWBEAVGQMY-UHFFFAOYSA-N 1 1 261.365 3.194 20 30 CGEDMO C=CC[N@@H+](CC1CCCCC1)C1CCN(C(C)=O)CC1 ZINC000769404143 627549567 /nfs/dbraw/zinc/54/95/67/627549567.db2.gz JPLLUWOBDCBBOB-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)cc1 ZINC000769446329 627552699 /nfs/dbraw/zinc/55/26/99/627552699.db2.gz NIKLGRPXPAQVRW-GJZGRUSLSA-N 1 1 289.444 3.415 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCS[C@H](C)[C@@H]2C)cc1 ZINC000769447834 627553739 /nfs/dbraw/zinc/55/37/39/627553739.db2.gz YBQHPDRRSAGJPY-UONOGXRCSA-N 1 1 275.417 3.024 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000769484636 627559221 /nfs/dbraw/zinc/55/92/21/627559221.db2.gz LDWHDVGOVCIIBH-IBGZPJMESA-N 1 1 299.414 3.091 20 30 CGEDMO Fc1cccc(Cl)c1N=NC1CC[N@H+]2CCC[C@@H]12 ZINC000769827230 627582373 /nfs/dbraw/zinc/58/23/73/627582373.db2.gz RZCSXRUJZZWLOD-LBPRGKRZSA-N 1 1 267.735 3.115 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000769962343 627593248 /nfs/dbraw/zinc/59/32/48/627593248.db2.gz XQWMTAGZBSNLCZ-SECBINFHSA-N 1 1 282.174 3.095 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000769962343 627593250 /nfs/dbraw/zinc/59/32/50/627593250.db2.gz XQWMTAGZBSNLCZ-SECBINFHSA-N 1 1 282.174 3.095 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000769977304 627594301 /nfs/dbraw/zinc/59/43/01/627594301.db2.gz FOHKGBCAODQGAI-OAHLLOKOSA-N 1 1 289.382 3.455 20 30 CGEDMO C=CCc1cc(C[N@@H+](CC=C)C2CC2)c(O)c(OC)c1 ZINC000771641734 627724876 /nfs/dbraw/zinc/72/48/76/627724876.db2.gz YRMTVYBAGLSDNS-UHFFFAOYSA-N 1 1 273.376 3.280 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000773004577 627840685 /nfs/dbraw/zinc/84/06/85/627840685.db2.gz MHTPWROEMVFQOT-GFCCVEGCSA-N 1 1 255.720 3.382 20 30 CGEDMO CCc1noc(C)c1[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000773022446 627843576 /nfs/dbraw/zinc/84/35/76/627843576.db2.gz CSEKIGSBQRUCKX-SNVBAGLBSA-N 1 1 287.338 3.407 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000773432360 627883466 /nfs/dbraw/zinc/88/34/66/627883466.db2.gz OVKZICSKXGLAJQ-AWEZNQCLSA-N 1 1 282.428 3.284 20 30 CGEDMO C=C(CC)C[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000773474604 627888480 /nfs/dbraw/zinc/88/84/80/627888480.db2.gz USCLQIAHIGEOIO-KBPBESRZSA-N 1 1 282.428 3.188 20 30 CGEDMO C#CCCC[N@@H+]1CCN(c2cccc3cnccc32)C[C@@H]1C ZINC000773955807 627931221 /nfs/dbraw/zinc/93/12/21/627931221.db2.gz IBKMEHHVJKJUGJ-INIZCTEOSA-N 1 1 293.414 3.159 20 30 CGEDMO N#Cc1cc(Cl)ccc1CO[NH+]=C(N)CC1CC1 ZINC000774774717 628026674 /nfs/dbraw/zinc/02/66/74/628026674.db2.gz UIEIWDWIBKMSBO-UHFFFAOYSA-N 1 1 263.728 3.010 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1ccc(-c2ccccc2F)o1)[C@@H]1CCCO1 ZINC000775342419 628084830 /nfs/dbraw/zinc/08/48/30/628084830.db2.gz QZMLGQGYFNKCAC-AEFFLSMTSA-N 1 1 299.345 3.356 20 30 CGEDMO C#CC[C@H]([NH2+]Cc1cn2cc(C)ccc2n1)c1ccccc1 ZINC000775403583 628091788 /nfs/dbraw/zinc/09/17/88/628091788.db2.gz HNOUKMLXRMZEIY-SFHVURJKSA-N 1 1 289.382 3.497 20 30 CGEDMO C#CC[N@H+](Cc1cccc(C)c1O)C1CCCCC1 ZINC000775664955 628121828 /nfs/dbraw/zinc/12/18/28/628121828.db2.gz SUJHFFITQMQMGX-UHFFFAOYSA-N 1 1 257.377 3.469 20 30 CGEDMO C=C(C)[C@@H]([NH2+]C/C=C(/C)C(=O)OC)c1ccc(F)c(F)c1 ZINC000775725560 628129382 /nfs/dbraw/zinc/12/93/82/628129382.db2.gz UQNRTHFORFWFMJ-OCOPJHETSA-N 1 1 295.329 3.291 20 30 CGEDMO CC(C)[C@@H]1CC[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000775765451 628134516 /nfs/dbraw/zinc/13/45/16/628134516.db2.gz OROVYCHADVBMKI-KRWDZBQOSA-N 1 1 271.408 3.267 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000777439849 628270019 /nfs/dbraw/zinc/27/00/19/628270019.db2.gz PEWZSIJHGGOBBC-GOSISDBHSA-N 1 1 299.414 3.090 20 30 CGEDMO C#CC[N@H+](CCC(=O)c1ccc(F)cc1)C1CCCC1 ZINC000777598866 628287633 /nfs/dbraw/zinc/28/76/33/628287633.db2.gz CDGBBIHHFGDWKO-UHFFFAOYSA-N 1 1 273.351 3.276 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000777730707 628297083 /nfs/dbraw/zinc/29/70/83/628297083.db2.gz NSGVAJJWEHJJFL-YOEHRIQHSA-N 1 1 277.383 3.464 20 30 CGEDMO C=CCc1cc(C[N@H+]2CC[C@H](C)[C@@H](F)C2)c(O)c(OC)c1 ZINC000777966340 628316913 /nfs/dbraw/zinc/31/69/13/628316913.db2.gz GGXAAYAFAIRJAP-WFASDCNBSA-N 1 1 293.382 3.309 20 30 CGEDMO CC(=NNc1cc[nH+]cc1)c1ccc(OC(F)(F)F)cc1 ZINC000779808767 628433571 /nfs/dbraw/zinc/43/35/71/628433571.db2.gz HNIKQKTWDMYYTB-UHFFFAOYSA-N 1 1 295.264 3.238 20 30 CGEDMO CC(C)CC(=NNc1cc[nH+]cc1)c1cccs1 ZINC000779809927 628433962 /nfs/dbraw/zinc/43/39/62/628433962.db2.gz XPZOPDIOTOUVPT-UHFFFAOYSA-N 1 1 259.378 3.427 20 30 CGEDMO FC(F)Oc1ccc(C=NNc2cc[nH+]cc2)cc1Cl ZINC000779809772 628434103 /nfs/dbraw/zinc/43/41/03/628434103.db2.gz UKBFUXAMFBCQJJ-UHFFFAOYSA-N 1 1 297.692 3.204 20 30 CGEDMO CCCCCCCCNC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000781384663 628557692 /nfs/dbraw/zinc/55/76/92/628557692.db2.gz TXUVSRXRCZSNPJ-HNNXBMFYSA-N 1 1 295.471 3.297 20 30 CGEDMO C#CC[N@@H+](Cc1ccn(-c2ccccc2F)n1)C1CCCC1 ZINC000782511536 628650639 /nfs/dbraw/zinc/65/06/39/628650639.db2.gz YBSUMSPWPQVMBO-UHFFFAOYSA-N 1 1 297.377 3.389 20 30 CGEDMO C#CC[N@H+](Cc1ccn(-c2ccccc2F)n1)C1CCCC1 ZINC000782511536 628650642 /nfs/dbraw/zinc/65/06/42/628650642.db2.gz YBSUMSPWPQVMBO-UHFFFAOYSA-N 1 1 297.377 3.389 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1cnc2ccsc2c1 ZINC000783300152 628700642 /nfs/dbraw/zinc/70/06/42/628700642.db2.gz IXMKHMBHUFJQDQ-NSHDSACASA-N 1 1 294.383 3.414 20 30 CGEDMO C#CCCCCC(=O)O[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000783436522 628711845 /nfs/dbraw/zinc/71/18/45/628711845.db2.gz CMWFLAZXTILAIN-SFHVURJKSA-N 1 1 299.414 3.388 20 30 CGEDMO C[N@H+](Cc1ccc(OCC#N)cc1)C[C@@H]1CC=CCC1 ZINC000784386652 628811941 /nfs/dbraw/zinc/81/19/41/628811941.db2.gz ZYLBDDJUTPGKSY-OAHLLOKOSA-N 1 1 270.376 3.377 20 30 CGEDMO C=CCCC[N@H+](C)CN1C[C@@H](CC(C)(C)C)OC1=O ZINC000785500632 628867893 /nfs/dbraw/zinc/86/78/93/628867893.db2.gz HBOFFGVBVNLLQU-CYBMUJFWSA-N 1 1 268.401 3.099 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CCC(=O)OCc1ccccc1 ZINC000785996541 628906385 /nfs/dbraw/zinc/90/63/85/628906385.db2.gz DHJCRURQOKIEQW-MRXNPFEDSA-N 1 1 273.376 3.160 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc(F)cc1C ZINC000785998673 628906845 /nfs/dbraw/zinc/90/68/45/628906845.db2.gz KFGQWAZICSGBFD-GOEBONIOSA-N 1 1 263.356 3.208 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000785998487 628906907 /nfs/dbraw/zinc/90/69/07/628906907.db2.gz GSOYYXDOAWUUIR-OAHLLOKOSA-N 1 1 256.349 3.129 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000785998494 628906930 /nfs/dbraw/zinc/90/69/30/628906930.db2.gz GZMWQOILKDGNMQ-HUUCEWRRSA-N 1 1 294.439 3.284 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000805839673 629013770 /nfs/dbraw/zinc/01/37/70/629013770.db2.gz RUCKMNHLXPRSJW-YPMHNXCESA-N 1 1 264.394 3.060 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)CCCc2cccc(C)c2)n1 ZINC000789330148 629124998 /nfs/dbraw/zinc/12/49/98/629124998.db2.gz XXGMIQGVHGZSSK-UHFFFAOYSA-N 1 1 295.430 3.279 20 30 CGEDMO C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000789452112 629134783 /nfs/dbraw/zinc/13/47/83/629134783.db2.gz PZZWXAJSXPUXAM-RBSFLKMASA-N 1 1 272.392 3.455 20 30 CGEDMO CC[C@H](C)NN=C(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000790180954 629189342 /nfs/dbraw/zinc/18/93/42/629189342.db2.gz BZLLYCSZCQQGHE-WMLDXEAASA-N 1 1 273.424 3.273 20 30 CGEDMO CCCCCCCCC[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000792268152 629353417 /nfs/dbraw/zinc/35/34/17/629353417.db2.gz JLIVYEYTXSFXIL-OAHLLOKOSA-N 1 1 266.429 3.044 20 30 CGEDMO CCCCCCCCC[N@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000792288594 629353891 /nfs/dbraw/zinc/35/38/91/629353891.db2.gz ZDADUAULAFBUEK-OAHLLOKOSA-N 1 1 289.485 3.246 20 30 CGEDMO CCn1ccc(C[N@@H+](C)Cc2ccc(OCC#N)cc2)c1 ZINC000792314432 629355940 /nfs/dbraw/zinc/35/59/40/629355940.db2.gz UKPNRRFZGRTUNT-UHFFFAOYSA-N 1 1 283.375 3.042 20 30 CGEDMO CCCCCCCNC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000875764548 634730272 /nfs/dbraw/zinc/73/02/72/634730272.db2.gz KNWZXZHNSDYTAX-HZPDHXFCSA-N 1 1 297.487 3.329 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000862440003 629373392 /nfs/dbraw/zinc/37/33/92/629373392.db2.gz DDGYIWPFNLCEMP-CYBMUJFWSA-N 1 1 282.428 3.188 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(Cl)c(O)c(OCC)c2)C1 ZINC000862447879 629380894 /nfs/dbraw/zinc/38/08/94/629380894.db2.gz RVHFXKGAZLHJIJ-GFCCVEGCSA-N 1 1 293.794 3.290 20 30 CGEDMO N#CCCCOc1cccc(C[NH2+]Cc2cccnc2F)c1 ZINC000793288032 629439907 /nfs/dbraw/zinc/43/99/07/629439907.db2.gz BQMGMJVUYPLSRY-UHFFFAOYSA-N 1 1 299.349 3.193 20 30 CGEDMO C[C@@H]1CC(N=Nc2ccnc(C(F)(F)F)c2)C[N@H+]1C1CC1 ZINC000863181991 629489843 /nfs/dbraw/zinc/48/98/43/629489843.db2.gz VKVDESOPESCZPT-SECBINFHSA-N 1 1 298.312 3.125 20 30 CGEDMO CC(=NN1CC[NH+](C)CC1)[C@H](C)c1ccc(Cl)cc1 ZINC000794445519 629543915 /nfs/dbraw/zinc/54/39/15/629543915.db2.gz PPIQIUVKHGHZQX-LBPRGKRZSA-N 1 1 279.815 3.067 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000863587575 629611464 /nfs/dbraw/zinc/61/14/64/629611464.db2.gz PRPJKVPOEJNSGC-XHDPSFHLSA-N 1 1 273.767 3.360 20 30 CGEDMO C=CCNN=C1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000794999036 629617529 /nfs/dbraw/zinc/61/75/29/629617529.db2.gz URJKOGQFGDQABA-DLBZAZTESA-N 1 1 283.419 3.050 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795134011 629634812 /nfs/dbraw/zinc/63/48/12/629634812.db2.gz VWZLFUBMAYELIX-CABCVRRESA-N 1 1 294.439 3.284 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCC[C@@H]1COC(=O)NCCCC ZINC000796156005 629749556 /nfs/dbraw/zinc/74/95/56/629749556.db2.gz DNYJJVMIJBJWLE-OAHLLOKOSA-N 1 1 282.428 3.333 20 30 CGEDMO C#CC[N@@H+](CC[C@@H]1CCCCO1)Cc1ccccc1 ZINC000796639332 629809163 /nfs/dbraw/zinc/80/91/63/629809163.db2.gz AUWYBEYGNMKCGY-KRWDZBQOSA-N 1 1 257.377 3.081 20 30 CGEDMO Oc1ccc(Cl)cc1/C=N\C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000864346136 629815118 /nfs/dbraw/zinc/81/51/18/629815118.db2.gz ONBVKJROMNEKAN-PACYTGELSA-N 1 1 292.810 3.481 20 30 CGEDMO C#CCC[C@@H](O)CNc1cc(C)c2ccc(C)cc2[nH+]1 ZINC000798421975 630055619 /nfs/dbraw/zinc/05/56/19/630055619.db2.gz YKDYMNHSDQLEQG-CQSZACIVSA-N 1 1 268.360 3.038 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000801573786 630345235 /nfs/dbraw/zinc/34/52/35/630345235.db2.gz HWYHJHSOWKNWNR-WMLDXEAASA-N 1 1 294.439 3.025 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000801911705 630364085 /nfs/dbraw/zinc/36/40/85/630364085.db2.gz SLCVEVNGGAKZJM-AWEZNQCLSA-N 1 1 274.408 3.345 20 30 CGEDMO CC[N@@H+](CCO[C@H](C)C#N)Cc1ccc(Cl)s1 ZINC000801910383 630364435 /nfs/dbraw/zinc/36/44/35/630364435.db2.gz QERASZDXJNIDEH-SNVBAGLBSA-N 1 1 272.801 3.152 20 30 CGEDMO Cc1ccc(C[N@H+](CCO[C@@H](C)C#N)C(C)C)s1 ZINC000801914693 630364607 /nfs/dbraw/zinc/36/46/07/630364607.db2.gz DDVXXBUORPJYQC-LBPRGKRZSA-N 1 1 266.410 3.196 20 30 CGEDMO CC[C@H](c1ccccc1)[N@@H+](CC)CCO[C@H](C)C#N ZINC000801913223 630364837 /nfs/dbraw/zinc/36/48/37/630364837.db2.gz AXVRCYAEPCARAZ-GDBMZVCRSA-N 1 1 260.381 3.388 20 30 CGEDMO Cc1cccc([C@H]2CCC[N@@H+]2CCO[C@H](C)C#N)c1 ZINC000801912836 630365227 /nfs/dbraw/zinc/36/52/27/630365227.db2.gz GABUITBKLIOSME-GDBMZVCRSA-N 1 1 258.365 3.061 20 30 CGEDMO Cc1ccc([C@H]2CCCC[N@@H+]2CCO[C@@H](C)C#N)cc1 ZINC000801922642 630366908 /nfs/dbraw/zinc/36/69/08/630366908.db2.gz MUHWBFCVYZENCT-DOTOQJQBSA-N 1 1 272.392 3.451 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000801934804 630370288 /nfs/dbraw/zinc/37/02/88/630370288.db2.gz RAVIVHLTVSVRLU-MLGOLLRUSA-N 1 1 294.345 3.420 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000801934804 630370289 /nfs/dbraw/zinc/37/02/89/630370289.db2.gz RAVIVHLTVSVRLU-MLGOLLRUSA-N 1 1 294.345 3.420 20 30 CGEDMO CCC1(CC)CCC[N@@H+](CCO[C@@H](C)C#N)CC1 ZINC000801950086 630372586 /nfs/dbraw/zinc/37/25/86/630372586.db2.gz UVVSVWBNLSNPQU-AWEZNQCLSA-N 1 1 252.402 3.207 20 30 CGEDMO C=CCCCCC[N@H+](C)CN1C(=O)[C@@H](C2CC2)[C@H]1C1CC1 ZINC000840008791 630488630 /nfs/dbraw/zinc/48/86/30/630488630.db2.gz WZYBPNZAOZRPTG-DLBZAZTESA-N 1 1 290.451 3.269 20 30 CGEDMO C#C[C@@H](NC1CC[NH+](C2CCCCC2)CC1)C(C)(C)C ZINC000809781230 630805278 /nfs/dbraw/zinc/80/52/78/630805278.db2.gz KCPBAUAGFSRRQT-QGZVFWFLSA-N 1 1 276.468 3.421 20 30 CGEDMO C=CC[N@H+](CCOC)C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000878503177 635535107 /nfs/dbraw/zinc/53/51/07/635535107.db2.gz OSYMAXLJMSUXHF-IAGOWNOFSA-N 1 1 275.392 3.041 20 30 CGEDMO C=CC[N@H+](C)C[C@@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000811491368 631074129 /nfs/dbraw/zinc/07/41/29/631074129.db2.gz IYXBKVKCSFCWDT-CYBMUJFWSA-N 1 1 270.417 3.044 20 30 CGEDMO C=C(C)CNN=C1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000811651629 631098811 /nfs/dbraw/zinc/09/88/11/631098811.db2.gz HTOMAXNZZNULIY-ROUUACIJSA-N 1 1 297.446 3.440 20 30 CGEDMO C#C[C@@H](Nc1cc(CC)[nH+]c(C)n1)c1ccc(F)cc1 ZINC000812486458 631267561 /nfs/dbraw/zinc/26/75/61/631267561.db2.gz PXNVJNBVRFPHSO-OAHLLOKOSA-N 1 1 269.323 3.273 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1cc(F)ccc1O)c1ccc(F)cc1 ZINC000812792811 631311228 /nfs/dbraw/zinc/31/12/28/631311228.db2.gz HXISUHPBCXURKS-OAHLLOKOSA-N 1 1 273.282 3.135 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CC[C@@H]1CC ZINC000814179341 631539813 /nfs/dbraw/zinc/53/98/13/631539813.db2.gz RKJADCAWCYPLHF-LBPRGKRZSA-N 1 1 263.768 3.336 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CC[C@@H]1CC ZINC000814179341 631539815 /nfs/dbraw/zinc/53/98/15/631539815.db2.gz RKJADCAWCYPLHF-LBPRGKRZSA-N 1 1 263.768 3.336 20 30 CGEDMO CC(=[NH+]OCCC1CC1)c1ccc(F)cc1N(C)C ZINC000814245384 631558761 /nfs/dbraw/zinc/55/87/61/631558761.db2.gz QOMJWNFJOMCAFY-UHFFFAOYSA-N 1 1 264.344 3.432 20 30 CGEDMO C=CCC(C)(C)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000814313324 631570219 /nfs/dbraw/zinc/57/02/19/631570219.db2.gz SAJUFPWUGDFFGE-UHFFFAOYSA-N 1 1 284.363 3.117 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnc(-c2cccc(O)c2)o1 ZINC000878991781 635673560 /nfs/dbraw/zinc/67/35/60/635673560.db2.gz MLCAKLZNZWMRGP-OKILXGFUSA-N 1 1 297.358 3.125 20 30 CGEDMO C#CC[N@@H+](C)CCCNc1ccnc2c(Cl)cccc12 ZINC000814928886 631686166 /nfs/dbraw/zinc/68/61/66/631686166.db2.gz ASHFCHULGUHNQO-UHFFFAOYSA-N 1 1 287.794 3.255 20 30 CGEDMO CCOc1ccc(N[NH+]=Cc2ccc(N(C)CC)nc2)cc1 ZINC000814984201 631701911 /nfs/dbraw/zinc/70/19/11/631701911.db2.gz LZSVEWBHUXDDHJ-UHFFFAOYSA-N 1 1 298.390 3.382 20 30 CGEDMO Cc1ccc(N2CCC[N@H+]([C@@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000815022036 631705461 /nfs/dbraw/zinc/70/54/61/631705461.db2.gz LMSBAQAOFYESFJ-FUHWJXTLSA-N 1 1 283.419 3.199 20 30 CGEDMO CC[N@@H+](C[C@H](O)c1ccc(C)cc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000815054522 631709456 /nfs/dbraw/zinc/70/94/56/631709456.db2.gz IAYAEAAKFQUMBL-OIISXLGYSA-N 1 1 272.392 3.043 20 30 CGEDMO N#CCCOCC[N@@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000815065138 631709917 /nfs/dbraw/zinc/70/99/17/631709917.db2.gz RRNCQTQSDVLSFM-GOSISDBHSA-N 1 1 284.403 3.459 20 30 CGEDMO C#CC[N@H+](Cc1cc(OC)ccc1F)C1CCCC1 ZINC000816517256 632002997 /nfs/dbraw/zinc/00/29/97/632002997.db2.gz JZOCYGRUPUNARG-UHFFFAOYSA-N 1 1 261.340 3.212 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)cc1 ZINC000816536461 632005180 /nfs/dbraw/zinc/00/51/80/632005180.db2.gz YCSXGCBVWCBTFF-UHFFFAOYSA-N 1 1 290.725 3.346 20 30 CGEDMO C[N@H+](Cc1cc(Br)ccc1O)CC(C)(C)C#N ZINC000816632400 632027982 /nfs/dbraw/zinc/02/79/82/632027982.db2.gz HDNNLABKPIERHO-UHFFFAOYSA-N 1 1 297.196 3.136 20 30 CGEDMO C[N@@H+](Cc1cc(Br)ccc1O)CC(C)(C)C#N ZINC000816632400 632027994 /nfs/dbraw/zinc/02/79/94/632027994.db2.gz HDNNLABKPIERHO-UHFFFAOYSA-N 1 1 297.196 3.136 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(Cc2nccs2)CC1 ZINC000879204210 635725046 /nfs/dbraw/zinc/72/50/46/635725046.db2.gz AKKBQYQWWSNOJF-UHFFFAOYSA-N 1 1 256.802 3.150 20 30 CGEDMO Cc1cnc(CC[N@@H+](C)CCc2cccc(C#N)c2)c(C)c1 ZINC000879432909 635787273 /nfs/dbraw/zinc/78/72/73/635787273.db2.gz QKGDFDHDUAVIKJ-UHFFFAOYSA-N 1 1 293.414 3.287 20 30 CGEDMO COc1ccc(CC[N@@H+](C)CCc2cccc(C#N)c2)cc1 ZINC000879434934 635787771 /nfs/dbraw/zinc/78/77/71/635787771.db2.gz QQDACAZGYDMAKB-UHFFFAOYSA-N 1 1 294.398 3.284 20 30 CGEDMO CCCCCCCCCC(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000818586420 632337800 /nfs/dbraw/zinc/33/78/00/632337800.db2.gz XGXXPCOWIPKYNL-CYBMUJFWSA-N 1 1 290.398 3.193 20 30 CGEDMO N#CC1(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)CCC1 ZINC000819376762 632444628 /nfs/dbraw/zinc/44/46/28/632444628.db2.gz FSKLCTQBFVJZEJ-CYBMUJFWSA-N 1 1 299.201 3.310 20 30 CGEDMO N#CC[N@@H+](CC[C@H]1CC1(Cl)Cl)C1CCCC1 ZINC000822635273 632994987 /nfs/dbraw/zinc/99/49/87/632994987.db2.gz UWHCMCOCIXKQSA-JTQLQIEISA-N 1 1 261.196 3.338 20 30 CGEDMO N#CC[N@H+](CC[C@H]1CC1(Cl)Cl)C1CCCC1 ZINC000822635273 632994997 /nfs/dbraw/zinc/99/49/97/632994997.db2.gz UWHCMCOCIXKQSA-JTQLQIEISA-N 1 1 261.196 3.338 20 30 CGEDMO N#CCC[N@H+](CC[C@H]1CC1(Cl)Cl)CC1CC1 ZINC000822663623 633001808 /nfs/dbraw/zinc/00/18/08/633001808.db2.gz GDPXAJMSVTVWLT-NSHDSACASA-N 1 1 261.196 3.196 20 30 CGEDMO C[N@H+]1CC[C@@H]2CN(c3cccc(C(F)F)c3C#N)CC[C@H]21 ZINC000866206792 633029984 /nfs/dbraw/zinc/02/99/84/633029984.db2.gz FXIXLNFKNRYBGQ-BXUZGUMPSA-N 1 1 291.345 3.026 20 30 CGEDMO C[C@@H]([NH2+][C@@H](C)c1ccns1)c1cccc(C#N)c1O ZINC000866396816 633122589 /nfs/dbraw/zinc/12/25/89/633122589.db2.gz ADKGPWDUXYLDKY-ZJUUUORDSA-N 1 1 273.361 3.132 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)c1cccc(F)c1 ZINC000823618682 633128178 /nfs/dbraw/zinc/12/81/78/633128178.db2.gz UJCDBPYPBROYDX-FZKQIMNGSA-N 1 1 298.361 3.424 20 30 CGEDMO C#C[C@@H]([NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1)C(C)C ZINC000824364193 633235646 /nfs/dbraw/zinc/23/56/46/633235646.db2.gz WAJPAJNLAWEADZ-FXAWDEMLSA-N 1 1 298.474 3.329 20 30 CGEDMO CC[N@@H+](Cc1cc(Cl)c(C)cc1O)C[C@@H](C)C#N ZINC000824596882 633263514 /nfs/dbraw/zinc/26/35/14/633263514.db2.gz JGOUFYYNPFJXPJ-JTQLQIEISA-N 1 1 266.772 3.336 20 30 CGEDMO CC[N@H+](Cc1cc(Cl)c(C)cc1O)C[C@@H](C)C#N ZINC000824596882 633263518 /nfs/dbraw/zinc/26/35/18/633263518.db2.gz JGOUFYYNPFJXPJ-JTQLQIEISA-N 1 1 266.772 3.336 20 30 CGEDMO C=CC[N@H+](Cc1ccc(Br)cc1O)C1CC1 ZINC000825504701 633359366 /nfs/dbraw/zinc/35/93/66/633359366.db2.gz CUUOVTSDMVHNQO-UHFFFAOYSA-N 1 1 282.181 3.305 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](CF)C2)c(C(F)(F)F)c1 ZINC000880299552 635969907 /nfs/dbraw/zinc/96/99/07/635969907.db2.gz INYKVWQVKPZOJD-NSHDSACASA-N 1 1 286.272 3.368 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc3c(cccc3C)[nH]2)C1 ZINC000826535451 633411052 /nfs/dbraw/zinc/41/10/52/633411052.db2.gz XDWDOXWEKCELKN-CQSZACIVSA-N 1 1 252.361 3.322 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cccc(OC3CC3)c2F)C1 ZINC000826535214 633411591 /nfs/dbraw/zinc/41/15/91/633411591.db2.gz SQPUYAHWVAKSGL-CYBMUJFWSA-N 1 1 273.351 3.212 20 30 CGEDMO C=CCCCCCCNC(=O)N(CCC)[C@@H]1CC[N@@H+](C)C1 ZINC000827073028 633454776 /nfs/dbraw/zinc/45/47/76/633454776.db2.gz ZOZUTZBGXHCEOO-MRXNPFEDSA-N 1 1 295.471 3.249 20 30 CGEDMO C[C@@]1(C[N@@H+](CCC#N)CC2CC2)CC1(Cl)Cl ZINC000827968959 633542159 /nfs/dbraw/zinc/54/21/59/633542159.db2.gz NINWGMAKYBFERR-NSHDSACASA-N 1 1 261.196 3.196 20 30 CGEDMO C[C@@]1(C[N@H+](CCC#N)CC2CC2)CC1(Cl)Cl ZINC000827968959 633542158 /nfs/dbraw/zinc/54/21/58/633542158.db2.gz NINWGMAKYBFERR-NSHDSACASA-N 1 1 261.196 3.196 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2csc([C@H](C)OC)n2)C1 ZINC000829784071 633782460 /nfs/dbraw/zinc/78/24/60/633782460.db2.gz FZRPYLVGZPPWJT-STQMWFEESA-N 1 1 278.421 3.086 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2csc([C@H](C)OC)n2)C1 ZINC000829784071 633782465 /nfs/dbraw/zinc/78/24/65/633782465.db2.gz FZRPYLVGZPPWJT-STQMWFEESA-N 1 1 278.421 3.086 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+]([C@H](C)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000829794068 633785728 /nfs/dbraw/zinc/78/57/28/633785728.db2.gz QOXZBFCYFSDDDX-ZIAGYGMSSA-N 1 1 295.386 3.132 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+]([C@H](C)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000829794068 633785738 /nfs/dbraw/zinc/78/57/38/633785738.db2.gz QOXZBFCYFSDDDX-ZIAGYGMSSA-N 1 1 295.386 3.132 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000829809811 633793023 /nfs/dbraw/zinc/79/30/23/633793023.db2.gz IETMYHHGAHNKCH-BBRMVZONSA-N 1 1 277.795 3.109 20 30 CGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc([C@H]2CCC(F)(F)C2)no1 ZINC000872180724 634079978 /nfs/dbraw/zinc/07/99/78/634079978.db2.gz ANCKPGYQMYQJRQ-JGVFFNPUSA-N 1 1 277.702 3.115 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872279726 634098173 /nfs/dbraw/zinc/09/81/73/634098173.db2.gz HPPCZWGKOQCCBE-IBGZPJMESA-N 1 1 283.415 3.462 20 30 CGEDMO Cc1cc2ncn(C[N@@H+](C)[C@H]3CCC[C@H]3C#N)c2cc1C ZINC000872681334 634186282 /nfs/dbraw/zinc/18/62/82/634186282.db2.gz HCUDGOIUQOSUOM-HOCLYGCPSA-N 1 1 282.391 3.235 20 30 CGEDMO Cc1cc2ncn(C[N@H+](C)[C@H]3CCC[C@H]3C#N)c2cc1C ZINC000872681334 634186285 /nfs/dbraw/zinc/18/62/85/634186285.db2.gz HCUDGOIUQOSUOM-HOCLYGCPSA-N 1 1 282.391 3.235 20 30 CGEDMO CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000834640135 634205328 /nfs/dbraw/zinc/20/53/28/634205328.db2.gz HANSUPDYXPSWEF-UONOGXRCSA-N 1 1 298.390 3.217 20 30 CGEDMO CN(C)c1ccc(/C=C\C[N@H+](C)CC(C)(C)C#N)cc1 ZINC000835052654 634336824 /nfs/dbraw/zinc/33/68/24/634336824.db2.gz IGUGYQXDOVMCPF-SREVYHEPSA-N 1 1 271.408 3.247 20 30 CGEDMO CN(C)c1ccc(/C=C\C[N@@H+](C)CC(C)(C)C#N)cc1 ZINC000835052654 634336827 /nfs/dbraw/zinc/33/68/27/634336827.db2.gz IGUGYQXDOVMCPF-SREVYHEPSA-N 1 1 271.408 3.247 20 30 CGEDMO N#Cc1cnc(Cl)c(C[N@@H+]2CC[C@H](c3ccco3)C2)c1 ZINC000876724467 634886518 /nfs/dbraw/zinc/88/65/18/634886518.db2.gz XRYIUTZFZMFCRX-LBPRGKRZSA-N 1 1 287.750 3.189 20 30 CGEDMO N#Cc1cnc(Cl)c(C[N@H+]2CC[C@H](c3ccco3)C2)c1 ZINC000876724467 634886521 /nfs/dbraw/zinc/88/65/21/634886521.db2.gz XRYIUTZFZMFCRX-LBPRGKRZSA-N 1 1 287.750 3.189 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@@H](COCC)C1 ZINC000876738388 634889306 /nfs/dbraw/zinc/88/93/06/634889306.db2.gz CJWZLCPOZUISBX-MRXNPFEDSA-N 1 1 251.414 3.319 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C#CC3CC3)cc2)C1 ZINC000837348969 634893665 /nfs/dbraw/zinc/89/36/65/634893665.db2.gz JBJCITYAIQUJCX-OAHLLOKOSA-N 1 1 296.414 3.270 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000876807720 634903056 /nfs/dbraw/zinc/90/30/56/634903056.db2.gz IXXDJTOGXUKKGD-RBSFLKMASA-N 1 1 276.380 3.107 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@H]1COC(=O)C1(C#N)CCCCC1 ZINC000837465367 634914727 /nfs/dbraw/zinc/91/47/27/634914727.db2.gz FYISIFVQLXUCTN-HNNXBMFYSA-N 1 1 292.423 3.267 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@H]1COC(=O)c1ccc(C#N)s1 ZINC000837561626 634934876 /nfs/dbraw/zinc/93/48/76/634934876.db2.gz QJNOSVRQJRTPTQ-LBPRGKRZSA-N 1 1 292.404 3.039 20 30 CGEDMO C#CCCCCCC[N@@H+]1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000877494239 635059527 /nfs/dbraw/zinc/05/95/27/635059527.db2.gz MUZXDTGWAPALDB-SQNIBIBYSA-N 1 1 293.451 3.229 20 30 CGEDMO C#CCCCCCC[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000877494237 635059632 /nfs/dbraw/zinc/05/96/32/635059632.db2.gz MUZXDTGWAPALDB-OKZBNKHCSA-N 1 1 293.451 3.229 20 30 CGEDMO C[N@@H+](C[C@H](O)c1cccc(C#N)c1)CC1(C)CCCC1 ZINC000877609484 635110555 /nfs/dbraw/zinc/11/05/55/635110555.db2.gz LGTBQWBRBRKSCK-INIZCTEOSA-N 1 1 272.392 3.104 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cc(OC)cnc2F)C1 ZINC000877625093 635119239 /nfs/dbraw/zinc/11/92/39/635119239.db2.gz VDSDHSTUWADWLM-LBPRGKRZSA-N 1 1 264.344 3.017 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000877658086 635135523 /nfs/dbraw/zinc/13/55/23/635135523.db2.gz NOQBDONPQKBGPQ-WMLDXEAASA-N 1 1 299.418 3.352 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1ccc(C#N)s1 ZINC000877704934 635156690 /nfs/dbraw/zinc/15/66/90/635156690.db2.gz XTNMIFIDEDHFNY-UHFFFAOYSA-N 1 1 281.384 3.166 20 30 CGEDMO CC[C@@H]1C[C@H](C[N@@H+](C)CCc2cccc(C#N)c2)CCO1 ZINC000877704970 635157342 /nfs/dbraw/zinc/15/73/42/635157342.db2.gz YUFYCNFINPPZQD-QZTJIDSGSA-N 1 1 286.419 3.238 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@]3(CCc4ccccc43)C2)o1 ZINC000877811053 635214465 /nfs/dbraw/zinc/21/44/65/635214465.db2.gz TWZZQZAXORTJRH-GOSISDBHSA-N 1 1 278.355 3.241 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)O[C@H](C)C2)cc1 ZINC000877820072 635225126 /nfs/dbraw/zinc/22/51/26/635225126.db2.gz GIBZQKZQDWBNBL-DOMZBBRYSA-N 1 1 297.320 3.210 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CC[C@H](C(F)(F)F)O1 ZINC000877823810 635229177 /nfs/dbraw/zinc/22/91/77/635229177.db2.gz NLOYMMHRFGAIHR-BXUZGUMPSA-N 1 1 298.308 3.100 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@H](C(F)(F)F)O1 ZINC000877823810 635229179 /nfs/dbraw/zinc/22/91/79/635229179.db2.gz NLOYMMHRFGAIHR-BXUZGUMPSA-N 1 1 298.308 3.100 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cc(F)ncc1F ZINC000841894513 635249866 /nfs/dbraw/zinc/24/98/66/635249866.db2.gz QOXIAJSPHGKQGW-MRXNPFEDSA-N 1 1 299.324 3.399 20 30 CGEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000877935335 635279061 /nfs/dbraw/zinc/27/90/61/635279061.db2.gz JNDUFNZKSXFOTH-YJBOKZPZSA-N 1 1 284.403 3.301 20 30 CGEDMO C=CC[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1Cl ZINC000877946226 635283281 /nfs/dbraw/zinc/28/32/81/635283281.db2.gz VHZIMBMSEOZBIQ-NSHDSACASA-N 1 1 266.772 3.175 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000842160077 635300128 /nfs/dbraw/zinc/30/01/28/635300128.db2.gz GAMRDPLJXFLIPK-OAHLLOKOSA-N 1 1 263.331 3.385 20 30 CGEDMO C[C@H](C#N)C[N@H+](C)C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000878034539 635332270 /nfs/dbraw/zinc/33/22/70/635332270.db2.gz GIGQGGWHWSMLRP-OIISXLGYSA-N 1 1 272.392 3.388 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C)C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC000878034539 635332279 /nfs/dbraw/zinc/33/22/79/635332279.db2.gz GIGQGGWHWSMLRP-OIISXLGYSA-N 1 1 272.392 3.388 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000878104571 635357573 /nfs/dbraw/zinc/35/75/73/635357573.db2.gz XVIDAVRQUJGGNI-OAHLLOKOSA-N 1 1 288.391 3.158 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@@H](CN(CC)CC(F)(F)F)C1 ZINC000878162541 635387772 /nfs/dbraw/zinc/38/77/72/635387772.db2.gz NSBPJVFACCRBNR-STQMWFEESA-N 1 1 278.362 3.157 20 30 CGEDMO c1ccc([C@H]2CC(=NNC34CC(C3)C4)CC[N@@H+]2C2CC2)cc1 ZINC000842544359 635398137 /nfs/dbraw/zinc/39/81/37/635398137.db2.gz SBGTXMXJISXUPN-PJOPYLDSSA-N 1 1 295.430 3.484 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000878435317 635507979 /nfs/dbraw/zinc/50/79/79/635507979.db2.gz GVLABCFBEXCTFQ-KBPBESRZSA-N 1 1 253.386 3.005 20 30 CGEDMO C#CCCCCC[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000878442839 635510413 /nfs/dbraw/zinc/51/04/13/635510413.db2.gz RJJURFJJMMTCAW-GOSISDBHSA-N 1 1 269.388 3.311 20 30 CGEDMO N#CCC1(C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)CC1 ZINC000878443156 635510669 /nfs/dbraw/zinc/51/06/69/635510669.db2.gz VUJRNYZOLHWZAJ-LBPRGKRZSA-N 1 1 276.330 3.448 20 30 CGEDMO C=CC[C@H](C)[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000878560016 635556699 /nfs/dbraw/zinc/55/66/99/635556699.db2.gz CNJGOPINOJZAOQ-GJZGRUSLSA-N 1 1 274.408 3.102 20 30 CGEDMO C#CCCCCC[N@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000878754571 635623559 /nfs/dbraw/zinc/62/35/59/635623559.db2.gz NHSKGGLGTCZFHZ-QGZVFWFLSA-N 1 1 256.393 3.455 20 30 CGEDMO N#Cc1cccc2c1C[N@H+](CC1CC3(CCC3)C1)C2 ZINC000878814233 635636024 /nfs/dbraw/zinc/63/60/24/635636024.db2.gz ZDTKQWPCASOTQW-UHFFFAOYSA-N 1 1 252.361 3.454 20 30 CGEDMO N#Cc1cccc2c1C[N@@H+](CC1CC3(CCC3)C1)C2 ZINC000878814233 635636027 /nfs/dbraw/zinc/63/60/27/635636027.db2.gz ZDTKQWPCASOTQW-UHFFFAOYSA-N 1 1 252.361 3.454 20 30 CGEDMO C=C/C=C/CC[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000878888233 635649626 /nfs/dbraw/zinc/64/96/26/635649626.db2.gz LOAMFJFLQUTJES-IDOMTICXSA-N 1 1 267.376 3.071 20 30 CGEDMO C=C/C=C/CC[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000878888233 635649630 /nfs/dbraw/zinc/64/96/30/635649630.db2.gz LOAMFJFLQUTJES-IDOMTICXSA-N 1 1 267.376 3.071 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2nnc(-c3cccc(O)c3)o2)C1 ZINC000878915366 635657280 /nfs/dbraw/zinc/65/72/80/635657280.db2.gz RXZYBHGRIZIIBL-ZDUSSCGKSA-N 1 1 299.374 3.230 20 30 CGEDMO CC(C)C[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000127565709 635723522 /nfs/dbraw/zinc/72/35/22/635723522.db2.gz GAIXMORKLSSUCD-AEFFLSMTSA-N 1 1 286.419 3.350 20 30 CGEDMO CC[C@H]([NH2+]CC1(C#N)CC1)c1cccc(OC)c1OC ZINC000879466131 635792283 /nfs/dbraw/zinc/79/22/83/635792283.db2.gz NMKZCRGBLFIVHM-ZDUSSCGKSA-N 1 1 274.364 3.048 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC000844394881 635889509 /nfs/dbraw/zinc/88/95/09/635889509.db2.gz AAJNYPBGFCSHIH-QWHCGFSZSA-N 1 1 292.810 3.230 20 30 CGEDMO C[C@]1(C(F)(F)F)CC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000880000799 635895723 /nfs/dbraw/zinc/89/57/23/635895723.db2.gz NSGRWOKBJWLTHQ-AWEZNQCLSA-N 1 1 298.308 3.211 20 30 CGEDMO C=CCCCC[N@@H+]1CCc2ccc(NC(C)=O)cc2C1 ZINC000880034063 635902915 /nfs/dbraw/zinc/90/29/15/635902915.db2.gz OLWWTXLJXSQKAW-UHFFFAOYSA-N 1 1 272.392 3.359 20 30 CGEDMO CC1(C)[C@@H](c2ccc(F)c(F)c2)CC[N@@H+]1CCC#N ZINC000880289191 635965225 /nfs/dbraw/zinc/96/52/25/635965225.db2.gz YVLYFYUYNITEKZ-GFCCVEGCSA-N 1 1 264.319 3.446 20 30 CGEDMO CC1(C)[C@@H](c2ccc(F)c(F)c2)CC[N@H+]1CCC#N ZINC000880289191 635965229 /nfs/dbraw/zinc/96/52/29/635965229.db2.gz YVLYFYUYNITEKZ-GFCCVEGCSA-N 1 1 264.319 3.446 20 30 CGEDMO CO[C@@]1(C(F)(F)F)CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000880307648 635970882 /nfs/dbraw/zinc/97/08/82/635970882.db2.gz RXYTZOGBPKWCJU-ZDUSSCGKSA-N 1 1 292.345 3.360 20 30 CGEDMO CO[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000880310010 635972026 /nfs/dbraw/zinc/97/20/26/635972026.db2.gz VQUNMLJQFNNXBB-AWEZNQCLSA-N 1 1 298.308 3.020 20 30 CGEDMO CO[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000880310010 635972030 /nfs/dbraw/zinc/97/20/30/635972030.db2.gz VQUNMLJQFNNXBB-AWEZNQCLSA-N 1 1 298.308 3.020 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CC[C@@H](c3nccs3)C2)cc1 ZINC000880322246 635975788 /nfs/dbraw/zinc/97/57/88/635975788.db2.gz FFHNUWFWMNJQOL-OAHLLOKOSA-N 1 1 283.400 3.047 20 30 CGEDMO CC(C)([NH2+]CCC#N)c1ccc(C(F)(F)F)cc1 ZINC000880383839 635990067 /nfs/dbraw/zinc/99/00/67/635990067.db2.gz KYQOCKWVTZYMNQ-UHFFFAOYSA-N 1 1 256.271 3.444 20 30 CGEDMO C#CCC1(O)CC[NH+](Cc2cc(Cl)ccc2Cl)CC1 ZINC000880478581 636007998 /nfs/dbraw/zinc/00/79/98/636007998.db2.gz BTQRIHXBJGWYMG-UHFFFAOYSA-N 1 1 298.213 3.344 20 30 CGEDMO N#CCCCC[N@@H+]1Cc2ccccc2N2CCC[C@@H]2C1 ZINC000880550292 636018619 /nfs/dbraw/zinc/01/86/19/636018619.db2.gz OIFUZXDVXPNHJD-MRXNPFEDSA-N 1 1 269.392 3.165 20 30 CGEDMO C=CC[C@H]1CC[C@@H]([NH2+][C@@H](C)C(=O)OC2CCCC2)C1 ZINC000845963119 636125081 /nfs/dbraw/zinc/12/50/81/636125081.db2.gz KZFJCGGXOFCYJA-MELADBBJSA-N 1 1 265.397 3.195 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2F)C1 ZINC000845987170 636126769 /nfs/dbraw/zinc/12/67/69/636126769.db2.gz GEHBUOWHKQXNOU-CYBMUJFWSA-N 1 1 291.366 3.078 20 30 CGEDMO COc1ccc(C[NH2+]CC2(C#N)CCCC2)c(C)c1OC ZINC000846009720 636128937 /nfs/dbraw/zinc/12/89/37/636128937.db2.gz CGRQIDFKTKPOAN-UHFFFAOYSA-N 1 1 288.391 3.186 20 30 CGEDMO C#C[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000847020165 636312610 /nfs/dbraw/zinc/31/26/10/636312610.db2.gz WVAGKHZXGHAFKZ-SWLSCSKDSA-N 1 1 297.320 3.084 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](C[C@H](OC(C)C)c2ccccc2)C1 ZINC000847019383 636313155 /nfs/dbraw/zinc/31/31/55/636313155.db2.gz POUACTIANYRPKI-AEFFLSMTSA-N 1 1 271.404 3.498 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000847022934 636314123 /nfs/dbraw/zinc/31/41/23/636314123.db2.gz KCERNYWFNURJDU-GJZGRUSLSA-N 1 1 295.386 3.451 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C(C)C)cc2)C1 ZINC000847023905 636315067 /nfs/dbraw/zinc/31/50/67/636315067.db2.gz GIIKEWCTIYCMRR-OAHLLOKOSA-N 1 1 284.403 3.094 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C(C)C)cc2)C1 ZINC000847023905 636315071 /nfs/dbraw/zinc/31/50/71/636315071.db2.gz GIIKEWCTIYCMRR-OAHLLOKOSA-N 1 1 284.403 3.094 20 30 CGEDMO C#C[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000847023413 636315118 /nfs/dbraw/zinc/31/51/18/636315118.db2.gz MJUJDOWYBNKWMN-SJORKVTESA-N 1 1 298.430 3.284 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000847023413 636315126 /nfs/dbraw/zinc/31/51/26/636315126.db2.gz MJUJDOWYBNKWMN-SJORKVTESA-N 1 1 298.430 3.284 20 30 CGEDMO C#C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2)C1 ZINC000847024478 636315921 /nfs/dbraw/zinc/31/59/21/636315921.db2.gz QUODQXAMBOAFBK-STQMWFEESA-N 1 1 290.794 3.012 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2)C1 ZINC000847024478 636315925 /nfs/dbraw/zinc/31/59/25/636315925.db2.gz QUODQXAMBOAFBK-STQMWFEESA-N 1 1 290.794 3.012 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000847023232 636315976 /nfs/dbraw/zinc/31/59/76/636315976.db2.gz ZUJUDPKXHDDKIG-LLVKDONJSA-N 1 1 278.739 3.093 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000847023232 636315980 /nfs/dbraw/zinc/31/59/80/636315980.db2.gz ZUJUDPKXHDDKIG-LLVKDONJSA-N 1 1 278.739 3.093 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000847026501 636316618 /nfs/dbraw/zinc/31/66/18/636316618.db2.gz FJWBDKSPVWWOHZ-OLZOCXBDSA-N 1 1 258.321 3.001 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(=O)oc3c(C)c(C)ccc23)C1 ZINC000847027837 636317684 /nfs/dbraw/zinc/31/76/84/636317684.db2.gz CZPMNQONGRECJY-OAHLLOKOSA-N 1 1 295.382 3.255 20 30 CGEDMO CCCCCCCC(=O)OCC[C@H]1CC[N@@H+](C)C1 ZINC000847826458 636462234 /nfs/dbraw/zinc/46/22/34/636462234.db2.gz ADNOHJUMRPVASN-CQSZACIVSA-N 1 1 255.402 3.232 20 30 CGEDMO CN(C)c1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)cc1F ZINC000130758411 636508594 /nfs/dbraw/zinc/50/85/94/636508594.db2.gz KDSIFECPXCBONP-UHFFFAOYSA-N 1 1 297.377 3.395 20 30 CGEDMO Cc1cc(C[N@H+](C)Cc2cccc(C#N)c2)c(C)o1 ZINC000130773745 636511668 /nfs/dbraw/zinc/51/16/68/636511668.db2.gz OQVPQITYOBUFKN-UHFFFAOYSA-N 1 1 254.333 3.400 20 30 CGEDMO CCC(CC)CNN=C1CCC[N@H+]2CCCC[C@H]12 ZINC000848408876 636569286 /nfs/dbraw/zinc/56/92/86/636569286.db2.gz DMVHPDHITPATGU-OAHLLOKOSA-N 1 1 251.418 3.017 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@H+](Cc1cc3c(cc1O)CCC3)C2 ZINC000848503080 636582075 /nfs/dbraw/zinc/58/20/75/636582075.db2.gz XDSVJWXRELXYPB-UHFFFAOYSA-N 1 1 290.366 3.268 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@@H+](Cc1cc3c(cc1O)CCC3)C2 ZINC000848503080 636582080 /nfs/dbraw/zinc/58/20/80/636582080.db2.gz XDSVJWXRELXYPB-UHFFFAOYSA-N 1 1 290.366 3.268 20 30 CGEDMO NC(CCc1ccccc1)=[NH+]OCc1cccc(Cl)n1 ZINC000131311154 636617589 /nfs/dbraw/zinc/61/75/89/636617589.db2.gz POKVZESXNDRLFC-UHFFFAOYSA-N 1 1 289.766 3.157 20 30 CGEDMO N#CCCCC[C@H]([NH3+])c1nc(-c2c[nH]c3ccccc23)no1 ZINC000848628201 636623341 /nfs/dbraw/zinc/62/33/41/636623341.db2.gz RHKGYYMETYVRNF-ZDUSSCGKSA-N 1 1 295.346 3.302 20 30 CGEDMO N#Cc1cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1C1CC1 ZINC000883337535 636684275 /nfs/dbraw/zinc/68/42/75/636684275.db2.gz IBONQGDUKORUIV-SJORKVTESA-N 1 1 281.403 3.474 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(/C=C\C(=O)OC)o1 ZINC000848907564 636685155 /nfs/dbraw/zinc/68/51/55/636685155.db2.gz PHWWGNMOULGNLC-XPSMFNQNSA-N 1 1 275.348 3.006 20 30 CGEDMO C[C@@H]([NH2+]CC(C)(C)CCC#N)C(=O)OCc1ccccc1 ZINC000848921204 636692494 /nfs/dbraw/zinc/69/24/94/636692494.db2.gz PXARXSPRKIEBTC-CQSZACIVSA-N 1 1 288.391 3.038 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(OC)c2Cl)C1 ZINC000848923261 636693803 /nfs/dbraw/zinc/69/38/03/636693803.db2.gz CBDNESZJFZSGKU-GFCCVEGCSA-N 1 1 293.794 3.202 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2Cl)C1 ZINC000848923261 636693807 /nfs/dbraw/zinc/69/38/07/636693807.db2.gz CBDNESZJFZSGKU-GFCCVEGCSA-N 1 1 293.794 3.202 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000848923487 636694002 /nfs/dbraw/zinc/69/40/02/636694002.db2.gz FIVXQHJVHPOVRD-CYBMUJFWSA-N 1 1 283.350 3.061 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000848924003 636695572 /nfs/dbraw/zinc/69/55/72/636695572.db2.gz MEHGVLKXAUEXEZ-AWEZNQCLSA-N 1 1 265.356 3.391 20 30 CGEDMO C=C(Br)C[NH2+]Cc1cc2cccc(OC)c2o1 ZINC000134402293 637020988 /nfs/dbraw/zinc/02/09/88/637020988.db2.gz WJRIBSGCLGPNJU-UHFFFAOYSA-N 1 1 296.164 3.440 20 30 CGEDMO CC[C@H]1CCCCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000135057039 637074609 /nfs/dbraw/zinc/07/46/09/637074609.db2.gz JQKYXBFQCGEXAC-IRXDYDNUSA-N 1 1 272.392 3.246 20 30 CGEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@@H]2C2CCCC2)CCC1 ZINC000885963963 637335535 /nfs/dbraw/zinc/33/55/35/637335535.db2.gz UATQNHZWCAWHBK-JKSUJKDBSA-N 1 1 276.424 3.086 20 30 CGEDMO CC(C)C[C@H]1CCCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886075198 637400907 /nfs/dbraw/zinc/40/09/07/637400907.db2.gz DCMWFTFUTQNSJQ-HZPDHXFCSA-N 1 1 278.440 3.332 20 30 CGEDMO N#CC1(C[C@H](O)C[N@H+]2CCCC23CCCCC3)CCC1 ZINC000886089571 637404288 /nfs/dbraw/zinc/40/42/88/637404288.db2.gz DTVGDSZPLSEXPM-HNNXBMFYSA-N 1 1 276.424 3.230 20 30 CGEDMO CCCCCCCCC[N@@H+](C)C[C@@H]1CCC(=O)O1 ZINC000851736506 637485089 /nfs/dbraw/zinc/48/50/89/637485089.db2.gz RJKUJQTUUWHJMD-AWEZNQCLSA-N 1 1 255.402 3.374 20 30 CGEDMO N#CCc1cccc2c1CC[N@@H+](C[C@H]1CC[C@@H](C3CC3)O1)C2 ZINC000886302398 637490363 /nfs/dbraw/zinc/49/03/63/637490363.db2.gz LIMOGUNGCWRKAT-MJGOQNOKSA-N 1 1 296.414 3.068 20 30 CGEDMO C#CC[C@@H]1CC[N@H+]([C@@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000886357506 637511460 /nfs/dbraw/zinc/51/14/60/637511460.db2.gz IEILBNLOTVNQOI-GOEBONIOSA-N 1 1 295.386 3.067 20 30 CGEDMO C#CC[C@@H]1CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000886364198 637514477 /nfs/dbraw/zinc/51/44/77/637514477.db2.gz ROIOPHARMBFPAD-ZIAGYGMSSA-N 1 1 272.348 3.309 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2ccccc2OC2CC2)C1 ZINC000886365946 637515054 /nfs/dbraw/zinc/51/50/54/637515054.db2.gz TZKLWXGEQMCJTH-AWEZNQCLSA-N 1 1 255.361 3.073 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2noc3c2CC(C)(C)CC3)C1 ZINC000886365380 637515375 /nfs/dbraw/zinc/51/53/75/637515375.db2.gz HFYUWXNZCLLBRY-CYBMUJFWSA-N 1 1 272.392 3.035 20 30 CGEDMO C=C(C)C[N@@H+](CCOC(F)F)Cc1ccccc1 ZINC000851997775 637568742 /nfs/dbraw/zinc/56/87/42/637568742.db2.gz OPOMJFLBODRBLR-UHFFFAOYSA-N 1 1 255.308 3.304 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+]Cc1coc(-c2cccc(F)c2)n1 ZINC000852098176 637591241 /nfs/dbraw/zinc/59/12/41/637591241.db2.gz HCURDYRZWRHGCW-INIZCTEOSA-N 1 1 272.323 3.372 20 30 CGEDMO CC(C)CCC[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852330125 637635905 /nfs/dbraw/zinc/63/59/05/637635905.db2.gz ACCIXODWYUVIHS-KRWDZBQOSA-N 1 1 271.408 3.375 20 30 CGEDMO CC(C)CCC[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852330125 637635908 /nfs/dbraw/zinc/63/59/08/637635908.db2.gz ACCIXODWYUVIHS-KRWDZBQOSA-N 1 1 271.408 3.375 20 30 CGEDMO C=CCCC[N@@H+]1Cc2ccc(NC(=O)C(F)(F)F)cc2C1 ZINC000852334517 637636702 /nfs/dbraw/zinc/63/67/02/637636702.db2.gz TWVWREORZXTTND-UHFFFAOYSA-N 1 1 298.308 3.469 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2cn(Cc3ccccc3)nn2)C1 ZINC000852410686 637648585 /nfs/dbraw/zinc/64/85/85/637648585.db2.gz PLFKCBFNAUMZBK-INIZCTEOSA-N 1 1 296.418 3.115 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000852427320 637652810 /nfs/dbraw/zinc/65/28/10/637652810.db2.gz WJCGDDJQIGUQIR-HIFRSBDPSA-N 1 1 274.364 3.125 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000852427320 637652816 /nfs/dbraw/zinc/65/28/16/637652816.db2.gz WJCGDDJQIGUQIR-HIFRSBDPSA-N 1 1 274.364 3.125 20 30 CGEDMO C#CCCC[N@H+](C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000852514981 637672502 /nfs/dbraw/zinc/67/25/02/637672502.db2.gz NKWYUIBCTXYNOM-ZDUSSCGKSA-N 1 1 286.202 3.372 20 30 CGEDMO C=CCC1(O)CC[NH+](Cc2cc(-c3ccccc3)on2)CC1 ZINC000886759966 637679002 /nfs/dbraw/zinc/67/90/02/637679002.db2.gz UPLYLUGCSBMERO-UHFFFAOYSA-N 1 1 298.386 3.245 20 30 CGEDMO C#CCCC[N@@H+]1CC[C@@H](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000852604015 637685438 /nfs/dbraw/zinc/68/54/38/637685438.db2.gz NVBSEMUVNGVFSB-CABCVRRESA-N 1 1 294.439 3.025 20 30 CGEDMO C=CCCCCC[N@H+]1CCn2ncc(Br)c2C1 ZINC000852625904 637686939 /nfs/dbraw/zinc/68/69/39/637686939.db2.gz NSROIFJFURRFAT-UHFFFAOYSA-N 1 1 298.228 3.208 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000852685908 637695748 /nfs/dbraw/zinc/69/57/48/637695748.db2.gz MHPGKXCICAEGCG-BBWFWOEESA-N 1 1 298.386 3.195 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(C)nn(C)c1Cl ZINC000852685354 637695839 /nfs/dbraw/zinc/69/58/39/637695839.db2.gz FXRMFMPDVZFSMU-TXEJJXNPSA-N 1 1 265.788 3.065 20 30 CGEDMO C#CCC[N@@H+](CCOC)Cc1ncc(-c2ccccc2C)o1 ZINC000852751426 637706688 /nfs/dbraw/zinc/70/66/88/637706688.db2.gz BUHWQQDUBUQDHZ-UHFFFAOYSA-N 1 1 298.386 3.122 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1ncc(-c2ccccc2C)o1 ZINC000852751426 637706691 /nfs/dbraw/zinc/70/66/91/637706691.db2.gz BUHWQQDUBUQDHZ-UHFFFAOYSA-N 1 1 298.386 3.122 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)cc1 ZINC000886822700 637707745 /nfs/dbraw/zinc/70/77/45/637707745.db2.gz UEWRUXGZWGGGKF-AEFFLSMTSA-N 1 1 298.430 3.489 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886822232 637708935 /nfs/dbraw/zinc/70/89/35/637708935.db2.gz OAOPWVJHYHXSGN-COXVUDFISA-N 1 1 270.376 3.120 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1C[C@@H](CC(C)C)CC1=O ZINC000853598420 637871658 /nfs/dbraw/zinc/87/16/58/637871658.db2.gz QRKDHABAACBATO-HRCADAONSA-N 1 1 276.424 3.022 20 30 CGEDMO N#Cc1cc(F)ccc1-c1ccc(C[NH+]2CCOCC2)cc1 ZINC000854188660 638012183 /nfs/dbraw/zinc/01/21/83/638012183.db2.gz HSFVOABCYHUVGY-UHFFFAOYSA-N 1 1 296.345 3.197 20 30 CGEDMO C=CC[C@H]1CCCC[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC000855170410 638151676 /nfs/dbraw/zinc/15/16/76/638151676.db2.gz QLMGXTMZBCSHAM-JKSUJKDBSA-N 1 1 289.423 3.223 20 30 CGEDMO C#CCCOc1ccc(C[NH2+]Cc2csc(C)n2)cc1 ZINC000113325212 638200415 /nfs/dbraw/zinc/20/04/15/638200415.db2.gz CUUCHHGGHVCODF-UHFFFAOYSA-N 1 1 286.400 3.143 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)CC1 ZINC000930447940 638272503 /nfs/dbraw/zinc/27/25/03/638272503.db2.gz LGUASVFZRKHMTM-XUJLQICISA-N 1 1 272.396 3.267 20 30 CGEDMO C=C(Cl)CN1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000113997896 638316800 /nfs/dbraw/zinc/31/68/00/638316800.db2.gz CKOBTGBWLIIOPU-LSDHHAIUSA-N 1 1 270.848 3.325 20 30 CGEDMO C[C@H](CC(C)(C)C#N)NCC[N@H+](C)C1CCCCC1 ZINC000924802329 638407496 /nfs/dbraw/zinc/40/74/96/638407496.db2.gz LJJOVHJCMCHYEP-CQSZACIVSA-N 1 1 265.445 3.169 20 30 CGEDMO C[C@H](CC(C)(C)C#N)NCC[N@@H+](C)C1CCCCC1 ZINC000924802329 638407499 /nfs/dbraw/zinc/40/74/99/638407499.db2.gz LJJOVHJCMCHYEP-CQSZACIVSA-N 1 1 265.445 3.169 20 30 CGEDMO COc1ccc(C[NH2+][C@H]2CCCc3oc(C)nc32)cc1C#N ZINC000925594124 638539852 /nfs/dbraw/zinc/53/98/52/638539852.db2.gz MPRFFUGASHBMEU-AWEZNQCLSA-N 1 1 297.358 3.031 20 30 CGEDMO CCC[N@H+]1CCC[C@H](C(=O)Nc2ccc(CCC#N)cc2)C1 ZINC000928399114 638880472 /nfs/dbraw/zinc/88/04/72/638880472.db2.gz JPEFSJBMHJMGED-INIZCTEOSA-N 1 1 299.418 3.203 20 30 CGEDMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1cncc(C#N)c1 ZINC000929097394 638898109 /nfs/dbraw/zinc/89/81/09/638898109.db2.gz QWIHSTVALXWGEE-LBPRGKRZSA-N 1 1 269.323 3.285 20 30 CGEDMO CCc1onc(C)c1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000929163048 638904046 /nfs/dbraw/zinc/90/40/46/638904046.db2.gz ZJVKRBYRDSLPFK-UHFFFAOYSA-N 1 1 269.348 3.049 20 30 CGEDMO CCc1onc(C)c1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000929163048 638904047 /nfs/dbraw/zinc/90/40/47/638904047.db2.gz ZJVKRBYRDSLPFK-UHFFFAOYSA-N 1 1 269.348 3.049 20 30 CGEDMO C[N@@H+](CCOc1ccccc1F)CC1CCC(C#N)CC1 ZINC000929188912 638906879 /nfs/dbraw/zinc/90/68/79/638906879.db2.gz IGOOJFNZKXSDBL-UHFFFAOYSA-N 1 1 290.382 3.466 20 30 CGEDMO COc1ccc(C[N@@H+](C)CC2CCC(C#N)CC2)cc1 ZINC000929223489 638910108 /nfs/dbraw/zinc/91/01/08/638910108.db2.gz XCJAXMWFXBXYQU-UHFFFAOYSA-N 1 1 272.392 3.457 20 30 CGEDMO CC[N@@H+](Cc1ccc(N)nc1)[C@H](C)c1ccc(C#N)cc1 ZINC000929334382 638919406 /nfs/dbraw/zinc/91/94/06/638919406.db2.gz WFXUGNMUWBEXEL-CYBMUJFWSA-N 1 1 280.375 3.119 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)[C@H](C)c1ncccn1 ZINC000929361529 638921255 /nfs/dbraw/zinc/92/12/55/638921255.db2.gz HZGTVDYCKYKMCJ-OAHLLOKOSA-N 1 1 267.376 3.268 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)[C@H](C)c1ncccn1 ZINC000929361529 638921256 /nfs/dbraw/zinc/92/12/56/638921256.db2.gz HZGTVDYCKYKMCJ-OAHLLOKOSA-N 1 1 267.376 3.268 20 30 CGEDMO COC(=O)C[C@H]1CCCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000929475017 638926889 /nfs/dbraw/zinc/92/68/89/638926889.db2.gz RTBBIXYEEYJWNP-OAHLLOKOSA-N 1 1 292.423 3.268 20 30 CGEDMO N#CC1(CCCC[N@H+](CCO)Cc2ccccc2)CCC1 ZINC000929503968 638928880 /nfs/dbraw/zinc/92/88/80/638928880.db2.gz CWJYQWXHWRUQJJ-UHFFFAOYSA-N 1 1 286.419 3.345 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000929533843 638931233 /nfs/dbraw/zinc/93/12/33/638931233.db2.gz XBMFUIQIVBHYQM-KRWDZBQOSA-N 1 1 294.402 3.209 20 30 CGEDMO C=C1CC[NH+](C[C@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC000929602825 638933370 /nfs/dbraw/zinc/93/33/70/638933370.db2.gz DEAZJJQKZOBMHT-NEPJUHHUSA-N 1 1 263.303 3.138 20 30 CGEDMO N#Cc1cncc(C[N@@H+](Cc2cccc(O)c2)CC2CC2)c1 ZINC000929636546 638936558 /nfs/dbraw/zinc/93/65/58/638936558.db2.gz UYXPBEUBDCODKP-UHFFFAOYSA-N 1 1 293.370 3.071 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cncc(C(=O)OC)c1 ZINC000929695981 638942391 /nfs/dbraw/zinc/94/23/91/638942391.db2.gz SVVOFSWOGMZVTM-UHFFFAOYSA-N 1 1 276.380 3.046 20 30 CGEDMO CCN1CC[C@@H]([N@H+](C)CC2CCC(C#N)CC2)C[C@H]1C ZINC000929779624 638950029 /nfs/dbraw/zinc/95/00/29/638950029.db2.gz GJCIRHLQQZNKRQ-RDHHWEPZSA-N 1 1 277.456 3.121 20 30 CGEDMO CCN1CC[C@@H]([N@@H+](C)CC2CCC(C#N)CC2)C[C@H]1C ZINC000929779624 638950031 /nfs/dbraw/zinc/95/00/31/638950031.db2.gz GJCIRHLQQZNKRQ-RDHHWEPZSA-N 1 1 277.456 3.121 20 30 CGEDMO CC[N@@H+]1CC[C@@H](N(C)Cc2c(C)cc(C#N)cc2C)C[C@@H]1C ZINC000929780065 638950350 /nfs/dbraw/zinc/95/03/50/638950350.db2.gz KBKIYNBCSOTTIW-FUHWJXTLSA-N 1 1 299.462 3.480 20 30 CGEDMO CC[N@H+]1CC[C@@H](N(C)Cc2c(C)cc(C#N)cc2C)C[C@@H]1C ZINC000929780065 638950352 /nfs/dbraw/zinc/95/03/52/638950352.db2.gz KBKIYNBCSOTTIW-FUHWJXTLSA-N 1 1 299.462 3.480 20 30 CGEDMO CCN1CC[C@@H]([N@H+](C)Cc2c(C)cc(C#N)cc2C)C[C@@H]1C ZINC000929780065 638950353 /nfs/dbraw/zinc/95/03/53/638950353.db2.gz KBKIYNBCSOTTIW-FUHWJXTLSA-N 1 1 299.462 3.480 20 30 CGEDMO CCN1CC[C@@H]([N@@H+](C)Cc2c(C)cc(C#N)cc2C)C[C@@H]1C ZINC000929780065 638950355 /nfs/dbraw/zinc/95/03/55/638950355.db2.gz KBKIYNBCSOTTIW-FUHWJXTLSA-N 1 1 299.462 3.480 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000929782311 638951387 /nfs/dbraw/zinc/95/13/87/638951387.db2.gz LRCPZXMQOTXAFP-WBVHZDCISA-N 1 1 285.435 3.090 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000929782311 638951392 /nfs/dbraw/zinc/95/13/92/638951392.db2.gz LRCPZXMQOTXAFP-WBVHZDCISA-N 1 1 285.435 3.090 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000929782311 638951393 /nfs/dbraw/zinc/95/13/93/638951393.db2.gz LRCPZXMQOTXAFP-WBVHZDCISA-N 1 1 285.435 3.090 20 30 CGEDMO CC(C)[N@@H+](CC1CCC(C#N)CC1)C1CCOCC1 ZINC000929995305 638966994 /nfs/dbraw/zinc/96/69/94/638966994.db2.gz ZQKVOKPZFCGANY-UHFFFAOYSA-N 1 1 264.413 3.206 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000930072732 638972297 /nfs/dbraw/zinc/97/22/97/638972297.db2.gz VEWBRKJFTOCWSG-DLBZAZTESA-N 1 1 284.403 3.034 20 30 CGEDMO C[C@@H](C#N)C[N@H+](C[C@@H]1CCCC2(CCC2)O1)C1CC1 ZINC000930086593 638972972 /nfs/dbraw/zinc/97/29/72/638972972.db2.gz NHPTVKTWIPTEOM-ZFWWWQNUSA-N 1 1 262.397 3.102 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C[C@@H]1CCCC2(CCC2)O1)C1CC1 ZINC000930086593 638972974 /nfs/dbraw/zinc/97/29/74/638972974.db2.gz NHPTVKTWIPTEOM-ZFWWWQNUSA-N 1 1 262.397 3.102 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCOC[C@H]2CC(F)F)CCC1 ZINC000930472684 639005322 /nfs/dbraw/zinc/00/53/22/639005322.db2.gz ZUTYUAFCGFUBCG-CYBMUJFWSA-N 1 1 286.366 3.207 20 30 CGEDMO N#CC1(CCCC[N@@H+]2CCOC[C@H]2CC(F)F)CCC1 ZINC000930472684 639005325 /nfs/dbraw/zinc/00/53/25/639005325.db2.gz ZUTYUAFCGFUBCG-CYBMUJFWSA-N 1 1 286.366 3.207 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000930578318 639031188 /nfs/dbraw/zinc/03/11/88/639031188.db2.gz UDRYGXGYXNBJPP-IBGZPJMESA-N 1 1 297.446 3.093 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000930578318 639031190 /nfs/dbraw/zinc/03/11/90/639031190.db2.gz UDRYGXGYXNBJPP-IBGZPJMESA-N 1 1 297.446 3.093 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000930578318 639031191 /nfs/dbraw/zinc/03/11/91/639031191.db2.gz UDRYGXGYXNBJPP-IBGZPJMESA-N 1 1 297.446 3.093 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000930578318 639031192 /nfs/dbraw/zinc/03/11/92/639031192.db2.gz UDRYGXGYXNBJPP-IBGZPJMESA-N 1 1 297.446 3.093 20 30 CGEDMO CCc1ncc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)o1 ZINC000930765532 639065853 /nfs/dbraw/zinc/06/58/53/639065853.db2.gz ZEQXCYMNCFXVSU-LBPRGKRZSA-N 1 1 269.348 3.302 20 30 CGEDMO CCc1ncc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)o1 ZINC000930765532 639065858 /nfs/dbraw/zinc/06/58/58/639065858.db2.gz ZEQXCYMNCFXVSU-LBPRGKRZSA-N 1 1 269.348 3.302 20 30 CGEDMO CC[C@@H]1COC(C)(C)C[N@H+]1CC1CCC(C#N)CC1 ZINC000930848484 639075713 /nfs/dbraw/zinc/07/57/13/639075713.db2.gz KAOXBOYPZCODEI-YMAMQOFZSA-N 1 1 264.413 3.206 20 30 CGEDMO C=CC[N@H+](CCCCC1(C#N)CCC1)[C@@H](C)COC ZINC000930932901 639088500 /nfs/dbraw/zinc/08/85/00/639088500.db2.gz NWUBCPCIYIQCMG-HNNXBMFYSA-N 1 1 264.413 3.373 20 30 CGEDMO C[C@H]1C(=O)Nc2ccccc2C[N@@H+]1CC1CCC(C#N)CC1 ZINC000930992176 639095279 /nfs/dbraw/zinc/09/52/79/639095279.db2.gz XROBYTZPVUKCEG-NFOMZHRRSA-N 1 1 297.402 3.159 20 30 CGEDMO C[N@@H+](CCCCC1(C#N)CCC1)CC1=CCSC1 ZINC000931072583 639107161 /nfs/dbraw/zinc/10/71/61/639107161.db2.gz VMNFZNOCZQNBSC-UHFFFAOYSA-N 1 1 264.438 3.456 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1Cc2ccc(O)cc2C1 ZINC000931165858 639120376 /nfs/dbraw/zinc/12/03/76/639120376.db2.gz QYNLLZOWHWFLMG-UHFFFAOYSA-N 1 1 278.355 3.397 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1Cc2ccc(O)cc2C1 ZINC000931165858 639120380 /nfs/dbraw/zinc/12/03/80/639120380.db2.gz QYNLLZOWHWFLMG-UHFFFAOYSA-N 1 1 278.355 3.397 20 30 CGEDMO CCC(O)(CC)C[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000931334297 639136730 /nfs/dbraw/zinc/13/67/30/639136730.db2.gz JMLHZVZMHJYOAT-UHFFFAOYSA-N 1 1 280.799 3.195 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000859444571 639142030 /nfs/dbraw/zinc/14/20/30/639142030.db2.gz TZYGFEHQLRPIEO-NSHDSACASA-N 1 1 264.300 3.132 20 30 CGEDMO N#CC1(CCCC[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)CCC1 ZINC000931504903 639161742 /nfs/dbraw/zinc/16/17/42/639161742.db2.gz KFTLONNOJKDLEV-ZACQAIPSSA-N 1 1 290.451 3.476 20 30 CGEDMO N#CC1(CCCC[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)CCC1 ZINC000931504730 639161836 /nfs/dbraw/zinc/16/18/36/639161836.db2.gz KFTLONNOJKDLEV-IKGGRYGDSA-N 1 1 290.451 3.476 20 30 CGEDMO N#CC1CCC(C[N@H+]2CC[C@H]3CSC[C@H]3C2)CC1 ZINC000931551360 639168976 /nfs/dbraw/zinc/16/89/76/639168976.db2.gz WWJJJFJMTLCJCU-PFSRBDOWSA-N 1 1 264.438 3.001 20 30 CGEDMO C#CCCC[N@@H+]1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1 ZINC000931797700 639207929 /nfs/dbraw/zinc/20/79/29/639207929.db2.gz YXMLWGFBAGLGCI-KRWDZBQOSA-N 1 1 299.805 3.424 20 30 CGEDMO C#CCCC[N@H+]1CCc2nc[nH]c2[C@@H]1c1ccc(Cl)cc1 ZINC000931797700 639207932 /nfs/dbraw/zinc/20/79/32/639207932.db2.gz YXMLWGFBAGLGCI-KRWDZBQOSA-N 1 1 299.805 3.424 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931910750 639225176 /nfs/dbraw/zinc/22/51/76/639225176.db2.gz SGYYAFLPHAWLAZ-UWVGGRQHSA-N 1 1 251.267 3.317 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)C1 ZINC000931910193 639225277 /nfs/dbraw/zinc/22/52/77/639225277.db2.gz AZJSZBRRNYGCGB-GMTAPVOTSA-N 1 1 276.277 3.045 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931911306 639226797 /nfs/dbraw/zinc/22/67/97/639226797.db2.gz WRCYALJVWUVAKX-QMMMGPOBSA-N 1 1 257.658 3.105 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931911306 639226801 /nfs/dbraw/zinc/22/68/01/639226801.db2.gz WRCYALJVWUVAKX-QMMMGPOBSA-N 1 1 257.658 3.105 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)cc1F ZINC000931926119 639234569 /nfs/dbraw/zinc/23/45/69/639234569.db2.gz MTNBTDAUDAJBJK-MJGOQNOKSA-N 1 1 292.357 3.471 20 30 CGEDMO C[C@H](C#N)OCC[N@H+](C)C[C@@H](C)C1CCCCC1 ZINC000859866174 639244332 /nfs/dbraw/zinc/24/43/32/639244332.db2.gz HJHMEWZUOZEVCQ-ZIAGYGMSSA-N 1 1 252.402 3.063 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)C1 ZINC000859929363 639257027 /nfs/dbraw/zinc/25/70/27/639257027.db2.gz YMJIGYNPZCLGLW-NBZXXOOGSA-N 1 1 266.388 3.414 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2ccn(C)n2)C1 ZINC000932135738 639273038 /nfs/dbraw/zinc/27/30/38/639273038.db2.gz NETCYPNTAKMULT-YOEHRIQHSA-N 1 1 294.402 3.232 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000932187720 639291354 /nfs/dbraw/zinc/29/13/54/639291354.db2.gz MJLCDDBAGJTKAT-GFCCVEGCSA-N 1 1 262.422 3.387 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000932710109 639376045 /nfs/dbraw/zinc/37/60/45/639376045.db2.gz CGSXKKVZLMRGLI-KGLIPLIRSA-N 1 1 282.428 3.045 20 30 CGEDMO C=CC[C@H](CCc1ccccc1)OC(=O)Cn1c[nH+]cc1C ZINC000860733222 639413339 /nfs/dbraw/zinc/41/33/39/639413339.db2.gz HDXMMQVSJHQJBH-QGZVFWFLSA-N 1 1 298.386 3.312 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCOC[C@H]1CC1CC1 ZINC000933207045 639427894 /nfs/dbraw/zinc/42/78/94/639427894.db2.gz BFUJJQGDVDPSNY-OAHLLOKOSA-N 1 1 264.413 3.207 20 30 CGEDMO N#Cc1ccc([C@@H]2C[N@@H+](CCc3ccccc3)CCO2)cc1 ZINC000933625721 639471044 /nfs/dbraw/zinc/47/10/44/639471044.db2.gz ROHGODULDFZZSU-IBGZPJMESA-N 1 1 292.382 3.174 20 30 CGEDMO C=CCCC[NH+]1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC000117871606 639473055 /nfs/dbraw/zinc/47/30/55/639473055.db2.gz GXZMRVAXHFJSLU-UHFFFAOYSA-N 1 1 290.382 3.117 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933717406 639483413 /nfs/dbraw/zinc/48/34/13/639483413.db2.gz XPWRSMWUNYIWSP-LLVKDONJSA-N 1 1 285.313 3.251 20 30 CGEDMO CC(C)OC1CC([N@@H+](C)Cc2cc(C#N)cs2)C1 ZINC000933770232 639487841 /nfs/dbraw/zinc/48/78/41/639487841.db2.gz ITVHPFVQFMTKLW-UHFFFAOYSA-N 1 1 264.394 3.008 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000934472048 639615494 /nfs/dbraw/zinc/61/54/94/639615494.db2.gz YITLEWDSWWVNHG-KBPBESRZSA-N 1 1 285.309 3.389 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000935027700 639734055 /nfs/dbraw/zinc/73/40/55/639734055.db2.gz QGHADOSAKBJVQF-IRXDYDNUSA-N 1 1 299.418 3.020 20 30 CGEDMO C#CC[N@H+](C[C@H](O)c1cccc(Cl)c1)C1CCCC1 ZINC000155778495 639949199 /nfs/dbraw/zinc/94/91/99/639949199.db2.gz BPFAZGRIVUZDEH-INIZCTEOSA-N 1 1 277.795 3.251 20 30 CGEDMO C#CC[N@@H+](Cc1nc(-c2ccc(F)cc2)no1)C1CCCC1 ZINC000155858984 639954035 /nfs/dbraw/zinc/95/40/35/639954035.db2.gz JPVGUVVUFLIGNL-UHFFFAOYSA-N 1 1 299.349 3.254 20 30 CGEDMO C#CC[N@H+](Cc1nc(-c2ccc(F)cc2)no1)C1CCCC1 ZINC000155858984 639954041 /nfs/dbraw/zinc/95/40/41/639954041.db2.gz JPVGUVVUFLIGNL-UHFFFAOYSA-N 1 1 299.349 3.254 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000191878672 640336415 /nfs/dbraw/zinc/33/64/15/640336415.db2.gz QNDJZIDKBDNNBM-ZDUSSCGKSA-N 1 1 291.416 3.222 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195221211 640572028 /nfs/dbraw/zinc/57/20/28/640572028.db2.gz WOWWPIVIJRXKGL-MRXNPFEDSA-N 1 1 282.428 3.141 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccnc(Cl)c1 ZINC000195409156 640585117 /nfs/dbraw/zinc/58/51/17/640585117.db2.gz VSOLJJKORHMKHF-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccnc(Cl)c1 ZINC000195409156 640585125 /nfs/dbraw/zinc/58/51/25/640585125.db2.gz VSOLJJKORHMKHF-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCS[C@H](C)CC2)cc1 ZINC000248665347 640774203 /nfs/dbraw/zinc/77/42/03/640774203.db2.gz LYUQVJAEHRZJHD-ZIAGYGMSSA-N 1 1 290.432 3.305 20 30 CGEDMO C=C(C)C[N@@H+](CC)C[C@H](O)c1ccc(F)cc1C ZINC000304556563 640865234 /nfs/dbraw/zinc/86/52/34/640865234.db2.gz WRKVGJVBQYAVFQ-HNNXBMFYSA-N 1 1 251.345 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C)s2)C1 ZINC001006604181 640936656 /nfs/dbraw/zinc/93/66/56/640936656.db2.gz RVISRBCEKMWUIS-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CCC[N@H+](CC[C@H](C)F)C2)CC1 ZINC001008423241 640951033 /nfs/dbraw/zinc/95/10/33/640951033.db2.gz QJTWFOBPGKARAB-HOCLYGCPSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC)cc2)C1 ZINC001009382743 640958982 /nfs/dbraw/zinc/95/89/82/640958982.db2.gz BTSVIFVYOSWSBW-QGZVFWFLSA-N 1 1 286.419 3.019 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2CC)C1 ZINC001009616452 640960221 /nfs/dbraw/zinc/96/02/21/640960221.db2.gz GMZNYURVMVUTJT-CQSZACIVSA-N 1 1 292.448 3.081 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001009659087 640961343 /nfs/dbraw/zinc/96/13/43/640961343.db2.gz KMWZSZDJUSTBJX-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001010520887 640968726 /nfs/dbraw/zinc/96/87/26/640968726.db2.gz VMYNONMBDYRECD-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(CCC)cc2)C1 ZINC001015629455 640983146 /nfs/dbraw/zinc/98/31/46/640983146.db2.gz AUKVIASAOFPTGA-KRWDZBQOSA-N 1 1 286.419 3.019 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)CC2CCCCCC2)C1 ZINC001015760644 640986025 /nfs/dbraw/zinc/98/60/25/640986025.db2.gz VWKCFILQEJPYOI-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)CCC=C3)C1 ZINC001016010308 640990035 /nfs/dbraw/zinc/99/00/35/640990035.db2.gz ZRFZROYUPYLNNJ-GOSISDBHSA-N 1 1 296.414 3.026 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CCCC1 ZINC001017312012 641011987 /nfs/dbraw/zinc/01/19/87/641011987.db2.gz FRIOVIMXKCDAFC-CALCHBBNSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)c(C)c1 ZINC001018233952 641020540 /nfs/dbraw/zinc/02/05/40/641020540.db2.gz MKKOOFFBZBUNBP-HDICACEKSA-N 1 1 298.430 3.168 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)cc1C ZINC001018231426 641021404 /nfs/dbraw/zinc/02/14/04/641021404.db2.gz KFZZSVJCGCFRGK-CALCHBBNSA-N 1 1 298.430 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)cc1C ZINC001018231426 641021407 /nfs/dbraw/zinc/02/14/07/641021407.db2.gz KFZZSVJCGCFRGK-CALCHBBNSA-N 1 1 298.430 3.168 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)CCC(=C)C ZINC001155489758 805586139 /nfs/dbraw/zinc/58/61/39/805586139.db2.gz LIMXDEOKLVZTGK-OAHLLOKOSA-N 1 1 280.456 3.382 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)CC(C)(C)C ZINC001155638894 805598717 /nfs/dbraw/zinc/59/87/17/805598717.db2.gz RFEKJYJUYIJPRP-LSDHHAIUSA-N 1 1 282.472 3.461 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@](C)(CC)CCC ZINC001156036580 805644615 /nfs/dbraw/zinc/64/46/15/805644615.db2.gz WBGZGLQADKNBKZ-WBVHZDCISA-N 1 1 280.456 3.053 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)C[C@H](CC)C(C)(C)C ZINC001156319015 805673859 /nfs/dbraw/zinc/67/38/59/805673859.db2.gz MJJOZVSMYBMEII-CVEARBPZSA-N 1 1 294.483 3.299 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001156496945 805703631 /nfs/dbraw/zinc/70/36/31/805703631.db2.gz HEEBCZNNVZASFQ-BRWVUGGUSA-N 1 1 292.467 3.053 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCCNc1ccc2c(C#N)c[nH]c2n1 ZINC001156928243 805754190 /nfs/dbraw/zinc/75/41/90/805754190.db2.gz JKSXSXWCGPBCBP-ZDUSSCGKSA-N 1 1 297.406 3.111 20 30 CGEDMO C=CCN(C(=O)c1ccc2[nH]c(N)[nH+]c2c1)C1CCCCC1 ZINC001156972397 805760734 /nfs/dbraw/zinc/76/07/34/805760734.db2.gz ZYOXSEPPLXPKHT-UHFFFAOYSA-N 1 1 298.390 3.106 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1c(C)cccc1F ZINC001157312237 805796028 /nfs/dbraw/zinc/79/60/28/805796028.db2.gz JSWJLLKMWVYJAV-CQSZACIVSA-N 1 1 292.398 3.150 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)C1(C)C(C)(C)C1(C)C ZINC001157364259 805800003 /nfs/dbraw/zinc/80/00/03/805800003.db2.gz LUIZFRMJKUBIJK-CQSZACIVSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)C(C)(C)F ZINC001157428335 805809652 /nfs/dbraw/zinc/80/96/52/805809652.db2.gz XHMQXLUZZSNFPH-HUUCEWRRSA-N 1 1 298.446 3.402 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)C=C(C)C ZINC001157493528 805823544 /nfs/dbraw/zinc/82/35/44/805823544.db2.gz JFNKMOTZXJROBA-MRXNPFEDSA-N 1 1 278.440 3.232 20 30 CGEDMO C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H](C)CCC ZINC001157675238 805850494 /nfs/dbraw/zinc/85/04/94/805850494.db2.gz NREAERWHXWOSET-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@@H]1C[N@H+](C)CCC(C)C ZINC001157661903 805847729 /nfs/dbraw/zinc/84/77/29/805847729.db2.gz OGGMDVXILCMTJK-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](CC)SC ZINC001157807487 805875482 /nfs/dbraw/zinc/87/54/82/805875482.db2.gz SZMVYUGHLHHQHL-CABCVRRESA-N 1 1 298.496 3.017 20 30 CGEDMO C=CCC[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+](C(C)C)C1 ZINC001158173710 805925490 /nfs/dbraw/zinc/92/54/90/805925490.db2.gz UDVOMHAJJYTQFY-JKSUJKDBSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCCF ZINC001158341904 805942906 /nfs/dbraw/zinc/94/29/06/805942906.db2.gz SJDZYQGODKNKJB-OAHLLOKOSA-N 1 1 284.419 3.015 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](F)C(C)C ZINC001158350917 805945097 /nfs/dbraw/zinc/94/50/97/805945097.db2.gz ZMMBXVYMPKBYKA-HZPDHXFCSA-N 1 1 298.446 3.260 20 30 CGEDMO Cc1ccc(CC#N)c(NC[C@@H](C)c2ccc(O)cc2)[nH+]1 ZINC001158608245 805974640 /nfs/dbraw/zinc/97/46/40/805974640.db2.gz XLFFUHDUDRMUAU-GFCCVEGCSA-N 1 1 281.359 3.377 20 30 CGEDMO N#CC12CCC(Nc3nc(NC4CC4)cc[nH+]3)(CC1)CC2 ZINC001158783514 806001124 /nfs/dbraw/zinc/00/11/24/806001124.db2.gz LOYONZASMYQQBH-UHFFFAOYSA-N 1 1 283.379 3.079 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001252122447 806008678 /nfs/dbraw/zinc/00/86/78/806008678.db2.gz VPODMDLANJJRJJ-OWCLPIDISA-N 1 1 271.445 3.207 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCCO[C@H](C)C1 ZINC001252121937 806009422 /nfs/dbraw/zinc/00/94/22/806009422.db2.gz NNWCURUVMSFFOW-CVEARBPZSA-N 1 1 271.445 3.209 20 30 CGEDMO CCCCCCCC[C@@H](O)C[NH2+]Cc1nc(C2CC2)no1 ZINC001252133973 806020886 /nfs/dbraw/zinc/02/08/86/806020886.db2.gz MSAHRUFSACYFSE-CQSZACIVSA-N 1 1 295.427 3.148 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)c2ccccc2)CC1 ZINC001159111854 806042429 /nfs/dbraw/zinc/04/24/29/806042429.db2.gz YVWCQHGCIDUAPQ-UHFFFAOYSA-N 1 1 284.403 3.015 20 30 CGEDMO C=C[C@@](C)(O)C[N@@H+](CCC#N)C1CCCCCCC1 ZINC001252549131 806061595 /nfs/dbraw/zinc/06/15/95/806061595.db2.gz BZFDSGPEGDSCHO-MRXNPFEDSA-N 1 1 264.413 3.252 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1c1cc(F)cc(F)c1 ZINC001252604673 806083326 /nfs/dbraw/zinc/08/33/26/806083326.db2.gz WXTXPTZEJXXAAR-HZPDHXFCSA-N 1 1 281.346 3.429 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)/C=C\C(C)(C)C)CC1 ZINC001159595164 806128096 /nfs/dbraw/zinc/12/80/96/806128096.db2.gz WSJIAINDZFYCAZ-XFFZJAGNSA-N 1 1 290.451 3.303 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)CCC2CC2)CC1 ZINC001159646595 806140708 /nfs/dbraw/zinc/14/07/08/806140708.db2.gz HVJDLGLJIUCUBB-UHFFFAOYSA-N 1 1 296.842 3.068 20 30 CGEDMO C=C(Cl)C[N@H+]1CC=C(CCNC(=O)CCC2CC2)CC1 ZINC001159646595 806140701 /nfs/dbraw/zinc/14/07/01/806140701.db2.gz HVJDLGLJIUCUBB-UHFFFAOYSA-N 1 1 296.842 3.068 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[N@H+]1CC[C@H](CO)C1 ZINC001252986068 806146410 /nfs/dbraw/zinc/14/64/10/806146410.db2.gz SDYAGRKMJQNLNA-DLBZAZTESA-N 1 1 285.472 3.192 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[N@H+]1CC[C@@H](CO)C1 ZINC001252986071 806147267 /nfs/dbraw/zinc/14/72/67/806147267.db2.gz SDYAGRKMJQNLNA-SJORKVTESA-N 1 1 285.472 3.192 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)/C(C)=C/C)CC1 ZINC001159760152 806166812 /nfs/dbraw/zinc/16/68/12/806166812.db2.gz MUYWYRSWGUASOJ-KNDGBBJPSA-N 1 1 290.451 3.446 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+](C)Cc1cccnc1 ZINC001253226954 806183877 /nfs/dbraw/zinc/18/38/77/806183877.db2.gz CVHPLDIPLOAMFI-QGZVFWFLSA-N 1 1 276.424 3.401 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCc2cnccc2C1 ZINC001253227324 806184670 /nfs/dbraw/zinc/18/46/70/806184670.db2.gz GUOPZYBNGHDQRQ-SFHVURJKSA-N 1 1 288.435 3.327 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@](C)(O)CC1 ZINC001253233316 806186983 /nfs/dbraw/zinc/18/69/83/806186983.db2.gz CCILHJRVTYNVSN-SQNIBIBYSA-N 1 1 297.483 3.357 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CC[C@]2(CCCO2)C1 ZINC001253235795 806188718 /nfs/dbraw/zinc/18/87/18/806188718.db2.gz ODCQCANVLAGCCL-DLBZAZTESA-N 1 1 281.440 3.129 20 30 CGEDMO SCCCNc1[nH+]cnc2c1ccn2C1CCCC1 ZINC001159869433 806188310 /nfs/dbraw/zinc/18/83/10/806188310.db2.gz CTGRPYJQCPYDKN-UHFFFAOYSA-N 1 1 276.409 3.278 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCC[C@](C)(O)[C@H](C)C1 ZINC001253236354 806189202 /nfs/dbraw/zinc/18/92/02/806189202.db2.gz SJWZDCTUVPHIHV-SQNIBIBYSA-N 1 1 297.483 3.357 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+](CCC)CC(=O)OCC ZINC001253240627 806192355 /nfs/dbraw/zinc/19/23/55/806192355.db2.gz NTEMXOYRMRCSJG-INIZCTEOSA-N 1 1 299.455 3.149 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+](CCC)CC(=O)OCC ZINC001253240627 806192359 /nfs/dbraw/zinc/19/23/59/806192359.db2.gz NTEMXOYRMRCSJG-INIZCTEOSA-N 1 1 299.455 3.149 20 30 CGEDMO C=CCCCC[N@H+](C)C[C@H](O)CCOCc1ccccc1 ZINC001253280886 806202262 /nfs/dbraw/zinc/20/22/62/806202262.db2.gz LFKPZEYVRGABNC-GOSISDBHSA-N 1 1 291.435 3.242 20 30 CGEDMO Cc1ccc(CC#N)c(N[C@H]2COCc3ccccc32)[nH+]1 ZINC001160125083 806224617 /nfs/dbraw/zinc/22/46/17/806224617.db2.gz YLAGEEICMHGANS-INIZCTEOSA-N 1 1 279.343 3.140 20 30 CGEDMO C=C[C@H](O)C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC001253582593 806262958 /nfs/dbraw/zinc/26/29/58/806262958.db2.gz QOJPPGXQETZVTF-UONOGXRCSA-N 1 1 251.757 3.024 20 30 CGEDMO C=C[C@H](O)C[N@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001253581873 806263006 /nfs/dbraw/zinc/26/30/06/806263006.db2.gz FAESETJKBZMZMS-JSGCOSHPSA-N 1 1 285.309 3.042 20 30 CGEDMO C=C[C@H](O)C[N@H+]1CCSC[C@H]1c1cccc2ccccc21 ZINC001253585845 806265344 /nfs/dbraw/zinc/26/53/44/806265344.db2.gz CVGFAQMUZXWONA-YJBOKZPZSA-N 1 1 299.439 3.477 20 30 CGEDMO C=C(Cl)C[N@H+]1CC=C(CCNC(=O)C2(C)CCC2)CC1 ZINC001160875556 806313544 /nfs/dbraw/zinc/31/35/44/806313544.db2.gz KPUSLXYHCPCTIW-UHFFFAOYSA-N 1 1 296.842 3.068 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)C2(C)CCC2)CC1 ZINC001160875556 806313554 /nfs/dbraw/zinc/31/35/54/806313554.db2.gz KPUSLXYHCPCTIW-UHFFFAOYSA-N 1 1 296.842 3.068 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)[C@@H](F)CC)CC1 ZINC001160903627 806317154 /nfs/dbraw/zinc/31/71/54/806317154.db2.gz KEUJPQVEIXPTPY-ZBFHGGJFSA-N 1 1 296.430 3.228 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@]2(C)C=CCC2)CC1 ZINC001160915064 806321494 /nfs/dbraw/zinc/32/14/94/806321494.db2.gz IZZRQBNZGIHKKU-GOSISDBHSA-N 1 1 288.435 3.057 20 30 CGEDMO C[N@H+]1CCC[C@@H]1CCNc1nc(C#N)c(Cl)cc1Cl ZINC001160969362 806331665 /nfs/dbraw/zinc/33/16/65/806331665.db2.gz WHRULKVDGRYPPR-SECBINFHSA-N 1 1 299.205 3.156 20 30 CGEDMO C=C1CCC(C(=O)NCCC2=CC[N@@H+](CCC)CC2)CC1 ZINC001161114334 806349780 /nfs/dbraw/zinc/34/97/80/806349780.db2.gz XWJQZLHEXQFNKB-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)[C@](C)(C=C)CC)CC1 ZINC001161121970 806349849 /nfs/dbraw/zinc/34/98/49/806349849.db2.gz ZZWXYXMPSIHRPU-GOSISDBHSA-N 1 1 290.451 3.303 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)C(C)C)CC1 ZINC001161368177 806369026 /nfs/dbraw/zinc/36/90/26/806369026.db2.gz AZVKAADENZJQII-INIZCTEOSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)C1CCN(C(C)=O)CC1 ZINC001254427374 806395032 /nfs/dbraw/zinc/39/50/32/806395032.db2.gz OLKRILRTJGWYMT-UHFFFAOYSA-N 1 1 286.419 3.076 20 30 CGEDMO C#CC[N@H+]([C@@H]1CCc2ccccc21)[C@@H]1CCCN(C)CC1 ZINC001254526383 806441395 /nfs/dbraw/zinc/44/13/95/806441395.db2.gz RHPHZMCKYSAZOU-IEBWSBKVSA-N 1 1 282.431 3.093 20 30 CGEDMO C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@@H]1CCCN(C)CC1 ZINC001254526383 806441400 /nfs/dbraw/zinc/44/14/00/806441400.db2.gz RHPHZMCKYSAZOU-IEBWSBKVSA-N 1 1 282.431 3.093 20 30 CGEDMO C#CCN([C@@H]1CCc2ccccc21)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254526383 806441404 /nfs/dbraw/zinc/44/14/04/806441404.db2.gz RHPHZMCKYSAZOU-IEBWSBKVSA-N 1 1 282.431 3.093 20 30 CGEDMO C#CCN([C@@H]1CCc2ccccc21)[C@@H]1CCC[N@H+](C)CC1 ZINC001254526383 806441408 /nfs/dbraw/zinc/44/14/08/806441408.db2.gz RHPHZMCKYSAZOU-IEBWSBKVSA-N 1 1 282.431 3.093 20 30 CGEDMO C=CCO[C@H]1CC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC001254557050 806449756 /nfs/dbraw/zinc/44/97/56/806449756.db2.gz OTXRUBHUZRHQPE-RDJZCZTQSA-N 1 1 257.377 3.341 20 30 CGEDMO N#C[C@@H]1CC[C@H](N2CCCC[C@@H]2CC[NH+]2CCCC2)C1 ZINC001254669003 806479401 /nfs/dbraw/zinc/47/94/01/806479401.db2.gz MMHBTJGUOOCTKM-ZACQAIPSSA-N 1 1 275.440 3.019 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCSC[C@@H]2c2ccccc2)C1 ZINC001254669870 806479716 /nfs/dbraw/zinc/47/97/16/806479716.db2.gz WMEDPKHNYFMIDL-FVQBIDKESA-N 1 1 272.417 3.469 20 30 CGEDMO C[C@H]1CN([C@H]2CC[C@H](C#N)C2)CC[N@H+]1C1CCCCC1 ZINC001254675128 806482896 /nfs/dbraw/zinc/48/28/96/806482896.db2.gz BZORKIVDCKSLIT-ZOBUZTSGSA-N 1 1 275.440 3.017 20 30 CGEDMO CC[C@H]1CN(Cc2ccccc2)CC[N@H+]1[C@@H]1CC[C@H](C#N)C1 ZINC001254674643 806482942 /nfs/dbraw/zinc/48/29/42/806482942.db2.gz BEPAQQIZMXFDOI-GBESFXJTSA-N 1 1 297.446 3.275 20 30 CGEDMO CC[C@H]1C[N@H+](Cc2ccccc2)CCN1[C@@H]1CC[C@H](C#N)C1 ZINC001254674643 806482948 /nfs/dbraw/zinc/48/29/48/806482948.db2.gz BEPAQQIZMXFDOI-GBESFXJTSA-N 1 1 297.446 3.275 20 30 CGEDMO CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1[C@@H]1CC[C@H](C#N)C1 ZINC001254674643 806482954 /nfs/dbraw/zinc/48/29/54/806482954.db2.gz BEPAQQIZMXFDOI-GBESFXJTSA-N 1 1 297.446 3.275 20 30 CGEDMO CC[N@@H+](CCc1ccc(OC)cc1)[C@H]1CC[C@H](C#N)C1 ZINC001254677824 806484746 /nfs/dbraw/zinc/48/47/46/806484746.db2.gz WUCPAALRLWHZIA-HOTGVXAUSA-N 1 1 272.392 3.252 20 30 CGEDMO CC(C)(C)[NH+]1CC(Nc2nc(Cl)c(Cl)cc2C#N)C1 ZINC001162221063 806530746 /nfs/dbraw/zinc/53/07/46/806530746.db2.gz GVUGVEYVARGQMN-UHFFFAOYSA-N 1 1 299.205 3.155 20 30 CGEDMO CC[C@@H](C#N)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255132148 806550548 /nfs/dbraw/zinc/55/05/48/806550548.db2.gz RZHYTCWKZRFQMO-XLAORIBOSA-N 1 1 283.419 3.074 20 30 CGEDMO CCN(CCC#N)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255142402 806553749 /nfs/dbraw/zinc/55/37/49/806553749.db2.gz CPDOKGIQFQEELN-REPLKXPHSA-N 1 1 297.446 3.418 20 30 CGEDMO CC[C@H](CC#N)[N@H+](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001255167247 806565621 /nfs/dbraw/zinc/56/56/21/806565621.db2.gz WMFVUUVKLBSIOQ-KGLIPLIRSA-N 1 1 295.427 3.010 20 30 CGEDMO CC[C@H](CC#N)[N@@H+](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001255167247 806565629 /nfs/dbraw/zinc/56/56/29/806565629.db2.gz WMFVUUVKLBSIOQ-KGLIPLIRSA-N 1 1 295.427 3.010 20 30 CGEDMO CC[C@H](CC#N)N1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001255178749 806572765 /nfs/dbraw/zinc/57/27/65/806572765.db2.gz JCEZECQYKGQPJD-IPMKNSEASA-N 1 1 297.446 3.133 20 30 CGEDMO C=CCOC(=O)[C@H](CC(C)C)[NH2+][C@H](C)CCCC ZINC001255313973 806606535 /nfs/dbraw/zinc/60/65/35/806606535.db2.gz TXGQDLNKKSGGKF-KGLIPLIRSA-N 1 1 255.402 3.299 20 30 CGEDMO CC[C@@H](CC#N)N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255388794 806630617 /nfs/dbraw/zinc/63/06/17/806630617.db2.gz HTFFGBCVSOYUCQ-ZWKOTPCHSA-N 1 1 285.435 3.323 20 30 CGEDMO O=C1C=C(N[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCC1 ZINC001255382646 806630849 /nfs/dbraw/zinc/63/08/49/806630849.db2.gz DZDUYCBMEKWBKU-QGZVFWFLSA-N 1 1 298.430 3.268 20 30 CGEDMO CC(C)(S)C[NH2+][C@H]1CCCN(Cc2ccccc2)CC1 ZINC001255389770 806633702 /nfs/dbraw/zinc/63/37/02/806633702.db2.gz SQFAYBYGKRBGCM-INIZCTEOSA-N 1 1 292.492 3.339 20 30 CGEDMO C[C@@H](CC(F)(F)F)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001255659677 806696753 /nfs/dbraw/zinc/69/67/53/806696753.db2.gz BOLOJOJRSDJXDJ-JTQLQIEISA-N 1 1 256.271 3.331 20 30 CGEDMO C[C@@H](CC(F)(F)F)[NH+]1CCN(c2cccc(C#N)c2)CC1 ZINC001255660148 806696839 /nfs/dbraw/zinc/69/68/39/806696839.db2.gz GFWLGFFFDPWKDX-LBPRGKRZSA-N 1 1 297.324 3.021 20 30 CGEDMO Cc1ccc(CC#N)c(N[C@@H]2CCCc3ccncc32)[nH+]1 ZINC001163171472 806711624 /nfs/dbraw/zinc/71/16/24/806711624.db2.gz HGRNUSUMEJLRNB-MRXNPFEDSA-N 1 1 278.359 3.341 20 30 CGEDMO Cc1noc(C)c1C[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000155538904 799063637 /nfs/dbraw/zinc/06/36/37/799063637.db2.gz HCXGQKHWOIQGAC-UHFFFAOYSA-N 1 1 299.374 3.064 20 30 CGEDMO Cc1[nH+]c(N[C@H]2CCc3c2cccc3O)ccc1CC#N ZINC001163195841 806719363 /nfs/dbraw/zinc/71/93/63/806719363.db2.gz YFXUYDVQHJXMOL-HNNXBMFYSA-N 1 1 279.343 3.261 20 30 CGEDMO N#Cc1ccccc1OCC[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000252372939 799166067 /nfs/dbraw/zinc/16/60/67/799166067.db2.gz MXRIOYFESWPIKX-RDJZCZTQSA-N 1 1 284.403 3.449 20 30 CGEDMO C[C@H](CNC1CC(C#N)(c2ccccc2)C1)[NH+]1CCCCC1 ZINC000315608278 799237371 /nfs/dbraw/zinc/23/73/71/799237371.db2.gz IGDBPPABOAIDTM-IPJUCJBFSA-N 1 1 297.446 3.074 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H](COC)c1ccc(Cl)cc1 ZINC000390512755 799472154 /nfs/dbraw/zinc/47/21/54/799472154.db2.gz CCQDDXCMAQKSGY-LBPRGKRZSA-N 1 1 260.164 3.370 20 30 CGEDMO Cc1ccc(C[C@H](C)[N@H+]2CCC3SC(=O)C=C3C2)cc1 ZINC001255787422 806750705 /nfs/dbraw/zinc/75/07/05/806750705.db2.gz KGZGFESZXVWBBI-XJKSGUPXSA-N 1 1 287.428 3.200 20 30 CGEDMO C=C(Br)C[NH2+]Cc1scnc1C1CC1 ZINC000393668860 799489871 /nfs/dbraw/zinc/48/98/71/799489871.db2.gz BNJUGVCFZPUYSJ-UHFFFAOYSA-N 1 1 273.199 3.019 20 30 CGEDMO C=C(C)CNc1c[nH+]c2c(Br)cccn12 ZINC001163381733 806755985 /nfs/dbraw/zinc/75/59/85/806755985.db2.gz BCZSEAIGAVHEDD-UHFFFAOYSA-N 1 1 266.142 3.085 20 30 CGEDMO C=CCOC(=O)N[C@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC001255894425 806787785 /nfs/dbraw/zinc/78/77/85/806787785.db2.gz SGBFZQJMLFKAJI-AWEZNQCLSA-N 1 1 280.412 3.086 20 30 CGEDMO C[C@]1(C(F)(F)F)CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000708721328 799994350 /nfs/dbraw/zinc/99/43/50/799994350.db2.gz VGPXNENHZOUZAS-ZDUSSCGKSA-N 1 1 286.272 3.472 20 30 CGEDMO C[C@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000708721328 799994354 /nfs/dbraw/zinc/99/43/54/799994354.db2.gz VGPXNENHZOUZAS-ZDUSSCGKSA-N 1 1 286.272 3.472 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CC[C@H](c3nccs3)C2)cc1 ZINC000710355165 800033554 /nfs/dbraw/zinc/03/35/54/800033554.db2.gz NOHSSDXDVQIAQY-HNNXBMFYSA-N 1 1 283.400 3.199 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CCC2(CCC2)O1 ZINC000712387135 800086812 /nfs/dbraw/zinc/08/68/12/800086812.db2.gz KWYDWPNXJHLSIY-INIZCTEOSA-N 1 1 270.376 3.092 20 30 CGEDMO N#Cc1cccc2c1C[N@H+](CC[C@@H]1C[C@H]1C1CC1)C2 ZINC000714839807 800128693 /nfs/dbraw/zinc/12/86/93/800128693.db2.gz XNNQDONXQBSING-CJNGLKHVSA-N 1 1 252.361 3.310 20 30 CGEDMO N#Cc1cccc2c1C[N@@H+](CC[C@@H]1C[C@H]1C1CC1)C2 ZINC000714839807 800128696 /nfs/dbraw/zinc/12/86/96/800128696.db2.gz XNNQDONXQBSING-CJNGLKHVSA-N 1 1 252.361 3.310 20 30 CGEDMO Cc1ccc(C[NH2+]Cc2nc3c(s2)CCC3)cc1C#N ZINC000719540203 800242507 /nfs/dbraw/zinc/24/25/07/800242507.db2.gz QDMAQNBJMISHFE-UHFFFAOYSA-N 1 1 283.400 3.102 20 30 CGEDMO C[C@H](COCc1ccccc1)C[N@@H+](C)[C@@H](C)CC#N ZINC000719590184 800244389 /nfs/dbraw/zinc/24/43/89/800244389.db2.gz BHVHBBXZZPURKV-GJZGRUSLSA-N 1 1 260.381 3.073 20 30 CGEDMO C[C@H]1[C@H](Nc2ccc(C#N)c(C(F)(F)F)c2)CC[N@H+]1C ZINC000719602559 800246205 /nfs/dbraw/zinc/24/62/05/800246205.db2.gz OSVYWDQRVLQGCB-TVQRCGJNSA-N 1 1 283.297 3.082 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCn3cccc3[C@@H]2C)cc1 ZINC000809539043 800442941 /nfs/dbraw/zinc/44/29/41/800442941.db2.gz XRHRPMHXPYIYAQ-AWEZNQCLSA-N 1 1 250.345 3.046 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCn3cccc3[C@@H]2C)cc1 ZINC000809539043 800442943 /nfs/dbraw/zinc/44/29/43/800442943.db2.gz XRHRPMHXPYIYAQ-AWEZNQCLSA-N 1 1 250.345 3.046 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCc2cccc(Br)c2C1 ZINC001256139439 806832077 /nfs/dbraw/zinc/83/20/77/806832077.db2.gz YWAICSAWDXXSFF-LBPRGKRZSA-N 1 1 280.209 3.424 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](C[C@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000930923034 800652018 /nfs/dbraw/zinc/65/20/18/800652018.db2.gz FWQZVNYPPZQTAE-YNEHKIRRSA-N 1 1 290.329 3.112 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@@H]1CCC(C)(C)CO1 ZINC000933770829 800675692 /nfs/dbraw/zinc/67/56/92/800675692.db2.gz TWQZUIZFQKECAH-ZDUSSCGKSA-N 1 1 278.421 3.257 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cc(C)cc(Cl)c2)C1 ZINC001015273727 800699410 /nfs/dbraw/zinc/69/94/10/800699410.db2.gz CELXJJSJBCIWPP-HNNXBMFYSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C)cc2)C1 ZINC001023718456 800715674 /nfs/dbraw/zinc/71/56/74/800715674.db2.gz UYSITWLOQAGDDU-INIZCTEOSA-N 1 1 286.419 3.013 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccoc1C ZINC001024326692 800724682 /nfs/dbraw/zinc/72/46/82/800724682.db2.gz NEHPLPADZMWROE-HNNXBMFYSA-N 1 1 290.407 3.139 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(Cl)o1 ZINC001024332759 800725563 /nfs/dbraw/zinc/72/55/63/800725563.db2.gz GLJCWTVRANWFBD-LBPRGKRZSA-N 1 1 296.798 3.093 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(CC)o1 ZINC001024511972 800730431 /nfs/dbraw/zinc/73/04/31/800730431.db2.gz PBXASZXYLYTYGQ-AWEZNQCLSA-N 1 1 290.407 3.002 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C)sc1C ZINC001024537244 800730563 /nfs/dbraw/zinc/73/05/63/800730563.db2.gz CPGKPJADBVCIQG-AWEZNQCLSA-N 1 1 292.448 3.135 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC1(C)C ZINC001024607514 800732591 /nfs/dbraw/zinc/73/25/91/800732591.db2.gz CVAQBAJVGJNRQI-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001024641242 800733319 /nfs/dbraw/zinc/73/33/19/800733319.db2.gz IBHIZGPNZLEGPM-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)C1CCC(F)CC1 ZINC001024638623 800733512 /nfs/dbraw/zinc/73/35/12/800733512.db2.gz WHUZPDBIGICOPK-GPANFISMSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC12CCC2 ZINC001024683027 800735325 /nfs/dbraw/zinc/73/53/25/800735325.db2.gz LSSSIVTZZAMTBB-JKSUJKDBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC001024744609 800735659 /nfs/dbraw/zinc/73/56/59/800735659.db2.gz AIVZRXIOPKFWDE-JKSUJKDBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCC ZINC001025192401 800747480 /nfs/dbraw/zinc/74/74/80/800747480.db2.gz PTQDLUDHYDJZBD-CABCVRRESA-N 1 1 298.858 3.385 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)C ZINC001025205024 800750710 /nfs/dbraw/zinc/75/07/10/800750710.db2.gz RYXBGWYFELWCMB-CABCVRRESA-N 1 1 298.858 3.240 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccccc2C)C1 ZINC001025326005 800757049 /nfs/dbraw/zinc/75/70/49/800757049.db2.gz KLLDAXBMZLBCAV-HOTGVXAUSA-N 1 1 286.419 3.011 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cc(C)cs2)C1 ZINC001025410414 800761318 /nfs/dbraw/zinc/76/13/18/800761318.db2.gz AKDDWADUAVUUSX-UONOGXRCSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2csc(C)c2)C1 ZINC001025562912 800764442 /nfs/dbraw/zinc/76/44/42/800764442.db2.gz WEAQJIUODHFTNW-KBPBESRZSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC001027293401 800789592 /nfs/dbraw/zinc/78/95/92/800789592.db2.gz CAOURBWPVUGHHP-HUUCEWRRSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC001027293401 800789595 /nfs/dbraw/zinc/78/95/95/800789595.db2.gz CAOURBWPVUGHHP-HUUCEWRRSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)CC2=CCCCC2)C1 ZINC001027330660 800792292 /nfs/dbraw/zinc/79/22/92/800792292.db2.gz ADPQJSLSZYBJOH-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)C2CCC2)C1 ZINC001027507035 800798279 /nfs/dbraw/zinc/79/82/79/800798279.db2.gz GYWNFKVITBFTIZ-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2occc2C(C)C)C1 ZINC001027542606 800801758 /nfs/dbraw/zinc/80/17/58/800801758.db2.gz NMTBSDVWUGJJAE-CQSZACIVSA-N 1 1 290.407 3.125 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(Cl)s2)C1 ZINC001027670988 800810381 /nfs/dbraw/zinc/81/03/81/800810381.db2.gz QCOURLIFWWWCSD-NSHDSACASA-N 1 1 298.839 3.124 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)CCC2CCCCC2)C1 ZINC001027669852 800812188 /nfs/dbraw/zinc/81/21/88/800812188.db2.gz QJPWHLHCHWXZIC-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001027698268 800812613 /nfs/dbraw/zinc/81/26/13/800812613.db2.gz HBABHLXJRWRXTA-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)C2(C)CCC(C)CC2)C1 ZINC001027698960 800813579 /nfs/dbraw/zinc/81/35/79/800813579.db2.gz VPKAOFHAUAZVPF-UPTPFMHGSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)C2CC(C(C)(C)C)C2)C1 ZINC001027699481 800813591 /nfs/dbraw/zinc/81/35/91/800813591.db2.gz DUMNDTHYSHVRDL-UYSNPLJNSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H]1CNC(=O)C1CCCCCC1 ZINC001027778613 800819816 /nfs/dbraw/zinc/81/98/16/800819816.db2.gz QTKQHZANPUNCQH-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)C1CCCCCC1 ZINC001027778620 800820719 /nfs/dbraw/zinc/82/07/19/800820719.db2.gz QWUCVPXYZOADRU-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC12CC2 ZINC001027965665 800828358 /nfs/dbraw/zinc/82/83/58/800828358.db2.gz ZVNCXFZQPGPTRS-HZPDHXFCSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2C[C@@H](F)CC)CC1 ZINC001028116991 800831361 /nfs/dbraw/zinc/83/13/61/800831361.db2.gz LYRUNLCDALSHAM-HOTGVXAUSA-N 1 1 296.430 3.062 20 30 CGEDMO CC#CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(C(C)C)c1 ZINC001028242822 800838076 /nfs/dbraw/zinc/83/80/76/800838076.db2.gz IYISQFWMYBINJR-SFHVURJKSA-N 1 1 298.430 3.028 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)C1CCC=CCC1 ZINC001028322329 800840689 /nfs/dbraw/zinc/84/06/89/800840689.db2.gz BARISQSKYIRLBP-KRWDZBQOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)c2cccc(C)c2)C1 ZINC001028387081 800847151 /nfs/dbraw/zinc/84/71/51/800847151.db2.gz SXVILJIPNYJRLW-INIZCTEOSA-N 1 1 286.419 3.013 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC=CCCC2)C1 ZINC001028625250 800850448 /nfs/dbraw/zinc/85/04/48/800850448.db2.gz OUUFDRWAOPNJKX-IRXDYDNUSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CNC(=O)C2CCC(C)(C)CC2)C1 ZINC001029007346 800857927 /nfs/dbraw/zinc/85/79/27/800857927.db2.gz XKLDSLGKHIPKOE-OAHLLOKOSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](CNC(=O)c2ccoc2C(C)C)C1 ZINC001029013303 800858075 /nfs/dbraw/zinc/85/80/75/800858075.db2.gz WGPPNTVZSHVAON-CQSZACIVSA-N 1 1 290.407 3.031 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001029801306 800877383 /nfs/dbraw/zinc/87/73/83/800877383.db2.gz KWHSIKAFEMMHFV-MRXNPFEDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)c2ccc3ccccc3c2)C1 ZINC001031303930 800909076 /nfs/dbraw/zinc/90/90/76/800909076.db2.gz CGNOVMJNFVJLJK-UHFFFAOYSA-N 1 1 294.398 3.220 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1C(C)C ZINC001032434648 800927954 /nfs/dbraw/zinc/92/79/54/800927954.db2.gz PQCPOLBBJUNLLY-HOTGVXAUSA-N 1 1 298.430 3.285 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1C(C)C ZINC001032434648 800927959 /nfs/dbraw/zinc/92/79/59/800927959.db2.gz PQCPOLBBJUNLLY-HOTGVXAUSA-N 1 1 298.430 3.285 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1(C)CCCCC1 ZINC001032512929 800930316 /nfs/dbraw/zinc/93/03/16/800930316.db2.gz JOEBWNZNAGCXEG-HOTGVXAUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC001032606230 800933168 /nfs/dbraw/zinc/93/31/68/800933168.db2.gz QDOPQLLJKFUPDX-LNLFQRSKSA-N 1 1 298.430 3.074 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC001032606230 800933174 /nfs/dbraw/zinc/93/31/74/800933174.db2.gz QDOPQLLJKFUPDX-LNLFQRSKSA-N 1 1 298.430 3.074 20 30 CGEDMO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC(CC)CC)C1 ZINC001032613890 800933238 /nfs/dbraw/zinc/93/32/38/800933238.db2.gz ALOSPJUEPFKLTC-HOTGVXAUSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)cc(C)c1 ZINC001032751028 800934925 /nfs/dbraw/zinc/93/49/25/800934925.db2.gz ILCDAJMXIRNARW-ROUUACIJSA-N 1 1 298.430 3.168 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C)cs2)C1 ZINC001033063481 800950096 /nfs/dbraw/zinc/95/00/96/800950096.db2.gz BNPPYJFOXZUAIW-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001033101597 800952010 /nfs/dbraw/zinc/95/20/10/800952010.db2.gz HHIAXVPCYSJBQC-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(CC)s2)C1 ZINC001033237772 800955252 /nfs/dbraw/zinc/95/52/52/800955252.db2.gz LSKGZNRZCRGYKM-ZDUSSCGKSA-N 1 1 292.448 3.033 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C)ccc2C2CC2)C1 ZINC001033294743 800957151 /nfs/dbraw/zinc/95/71/51/800957151.db2.gz DBPQHORFGSRVEY-MRXNPFEDSA-N 1 1 298.430 3.205 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)CC2CC(C)(C)C2)C1 ZINC001033356410 800961039 /nfs/dbraw/zinc/96/10/39/800961039.db2.gz VIYUVNRQUSVXIK-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)C2CCC(=C)CC2)C1 ZINC001033389672 800962612 /nfs/dbraw/zinc/96/26/12/800962612.db2.gz SIMJFCFCYANSSK-QGZVFWFLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001033392959 800962748 /nfs/dbraw/zinc/96/27/48/800962748.db2.gz FLINUAXLLMLCTO-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(Cl)c2)C1 ZINC001033605314 800970060 /nfs/dbraw/zinc/97/00/60/800970060.db2.gz FHOHERXGBFOLNN-OAHLLOKOSA-N 1 1 292.810 3.062 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(C)c2C)C1 ZINC001033630530 800971504 /nfs/dbraw/zinc/97/15/04/800971504.db2.gz IAJAIONAPANHFA-MRXNPFEDSA-N 1 1 286.419 3.026 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2cc(C)oc2C)C1 ZINC001034102890 801006692 /nfs/dbraw/zinc/00/66/92/801006692.db2.gz STIOMSCMIGBMHE-HNNXBMFYSA-N 1 1 290.407 3.057 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2ccsc2C)C1 ZINC001034207488 801011652 /nfs/dbraw/zinc/01/16/52/801011652.db2.gz LPSGRYDOHYQZSN-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)C(C)=C2CCC2)C1 ZINC001034196142 801011835 /nfs/dbraw/zinc/01/18/35/801011835.db2.gz LFEOCSZIHYHSML-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC001034359964 801021585 /nfs/dbraw/zinc/02/15/85/801021585.db2.gz DVDRWQAFABHVJV-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H](C)c2cccs2)C1 ZINC001034389936 801025020 /nfs/dbraw/zinc/02/50/20/801025020.db2.gz AHJRLCSUMNBDSK-ZIAGYGMSSA-N 1 1 292.448 3.008 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)C2(F)CCCCC2)C1 ZINC001034471344 801028742 /nfs/dbraw/zinc/02/87/42/801028742.db2.gz HKJFOQBIBAQLNS-OAHLLOKOSA-N 1 1 296.430 3.206 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)CC(C)C)CC2 ZINC001035153221 801052560 /nfs/dbraw/zinc/05/25/60/801052560.db2.gz FMDAVAROGRGWTK-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C)CC)CC2 ZINC001035158963 801052673 /nfs/dbraw/zinc/05/26/73/801052673.db2.gz WLZLRMBJWMEFMS-CYBMUJFWSA-N 1 1 298.858 3.100 20 30 CGEDMO C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)C(C)(C)C=C)CC2 ZINC001035212813 801056202 /nfs/dbraw/zinc/05/62/02/801056202.db2.gz ZHALDIAGSIPBJQ-UHFFFAOYSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccccc3C)CC[C@H]21 ZINC001036632680 801084863 /nfs/dbraw/zinc/08/48/63/801084863.db2.gz QKZOZFCMXOCZNL-FUHWJXTLSA-N 1 1 298.430 3.108 20 30 CGEDMO C=C1CCC(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CCC)C2)CC1 ZINC001036811275 801090978 /nfs/dbraw/zinc/09/09/78/801090978.db2.gz OJGGYBUGNHOXPU-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)C(C)(CC)CC)CC[C@H]21 ZINC001036900134 801094140 /nfs/dbraw/zinc/09/41/40/801094140.db2.gz YIYPWHJNKFAENX-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(CC)CC)CC[C@@H]21 ZINC001036901639 801094633 /nfs/dbraw/zinc/09/46/33/801094633.db2.gz XAGGEBLUGLDHFX-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)c1sccc1Cl ZINC001038280866 801123017 /nfs/dbraw/zinc/12/30/17/801123017.db2.gz MFOCVXROXUKQOG-NSHDSACASA-N 1 1 298.839 3.172 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]1CNC(=O)C1CCCCCCC1 ZINC001038492275 801126278 /nfs/dbraw/zinc/12/62/78/801126278.db2.gz BRDYPWFTISZEFE-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1C1(C)CC1 ZINC001038693889 801132887 /nfs/dbraw/zinc/13/28/87/801132887.db2.gz OQMTYLSRKAAFHX-OAHLLOKOSA-N 1 1 298.430 3.118 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1C1(C)CC1 ZINC001038694576 801132947 /nfs/dbraw/zinc/13/29/47/801132947.db2.gz UQJBERJGANXCNA-OAHLLOKOSA-N 1 1 298.430 3.118 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]1CNC(=O)c1sccc1C1CC1 ZINC001038985959 801140789 /nfs/dbraw/zinc/14/07/89/801140789.db2.gz ONKKDUOOWUQEIA-ZDUSSCGKSA-N 1 1 290.432 3.006 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC ZINC001039823924 801166960 /nfs/dbraw/zinc/16/69/60/801166960.db2.gz YHXHOXMYTTXEKL-GASCZTMLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccccc3C)C2)C1 ZINC001040051564 801171683 /nfs/dbraw/zinc/17/16/83/801171683.db2.gz UOVBUBZNYWBWQU-LJQANCHMSA-N 1 1 298.430 3.109 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC(C)(C)C)C2)C1 ZINC001040074186 801172318 /nfs/dbraw/zinc/17/23/18/801172318.db2.gz MUINRLFGORQLDD-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)CC)C2)C1 ZINC001040355807 801176807 /nfs/dbraw/zinc/17/68/07/801176807.db2.gz FCMMOTWANLQFIH-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)CC3(C)CC3)C2)C1 ZINC001041487398 801190187 /nfs/dbraw/zinc/19/01/87/801190187.db2.gz SEGXQHNLPPSVAL-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)C3CCCCC3)C[C@H]21 ZINC001041911924 801197544 /nfs/dbraw/zinc/19/75/44/801197544.db2.gz ZILYVMHXHFHIRI-DOTOQJQBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CCN(C(=O)CCC3CCC3)C[C@H]21 ZINC001042008735 801200123 /nfs/dbraw/zinc/20/01/23/801200123.db2.gz XOLQYOTXMRLLRZ-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C3(C)CCCC3)C[C@@H]21 ZINC001042172069 801201696 /nfs/dbraw/zinc/20/16/96/801201696.db2.gz BYYTZDFBVFNTGQ-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C=C)cc3)C[C@@H]21 ZINC001042241311 801203966 /nfs/dbraw/zinc/20/39/66/801203966.db2.gz WGSZWCQXEFCLCB-AEFFLSMTSA-N 1 1 296.414 3.052 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(C)cc3)C[C@@H]21 ZINC001042333466 801205168 /nfs/dbraw/zinc/20/51/68/801205168.db2.gz AXZRILGYKZSQET-WMZOPIPTSA-N 1 1 298.430 3.108 20 30 CGEDMO C=CCC[NH+]1CC(N(C)C(=O)c2cc(C(C)C)oc2C)C1 ZINC001044126715 801229995 /nfs/dbraw/zinc/22/99/95/801229995.db2.gz HJENXDICAOJPBV-UHFFFAOYSA-N 1 1 290.407 3.044 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC ZINC001045826040 801287565 /nfs/dbraw/zinc/28/75/65/801287565.db2.gz PLKFQHDOQVWZDE-CVEARBPZSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCC)C2 ZINC001045910731 801291735 /nfs/dbraw/zinc/29/17/35/801291735.db2.gz ZDTBMHJVDNOUHH-MRXNPFEDSA-N 1 1 298.858 3.244 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(Cl)cc2C)C1 ZINC001046590830 801315706 /nfs/dbraw/zinc/31/57/06/801315706.db2.gz RGFJZHBSEHWDJW-INIZCTEOSA-N 1 1 292.810 3.029 20 30 CGEDMO C#CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC001046855288 801328216 /nfs/dbraw/zinc/32/82/16/801328216.db2.gz BOSJFPNWAPRBQQ-DNVCBOLYSA-N 1 1 298.430 3.028 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)C2CCC(C)(C)CC2)C1 ZINC001046867271 801330171 /nfs/dbraw/zinc/33/01/71/801330171.db2.gz YDFICIDMNGETGU-GOSISDBHSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccccc1)C2 ZINC001048497820 801348793 /nfs/dbraw/zinc/34/87/93/801348793.db2.gz VMXBSTJMGAXSQA-VBUUOAMHSA-N 1 1 298.430 3.236 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1 ZINC001049295753 801361552 /nfs/dbraw/zinc/36/15/52/801361552.db2.gz GFWYZDDARGZQOW-QZTJIDSGSA-N 1 1 298.430 3.332 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1C ZINC001049300531 801363614 /nfs/dbraw/zinc/36/36/14/801363614.db2.gz BYHXKKGHMPUXNY-QZTJIDSGSA-N 1 1 298.430 3.250 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(C)c1 ZINC001049313360 801364766 /nfs/dbraw/zinc/36/47/66/801364766.db2.gz RQNIYWRCLNGOGW-QZTJIDSGSA-N 1 1 298.430 3.250 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C=C1CCC1 ZINC001049411319 801371438 /nfs/dbraw/zinc/37/14/38/801371438.db2.gz HPUYGKOYSZTXRF-IRXDYDNUSA-N 1 1 288.435 3.128 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)C1CCC1 ZINC001049546831 801374799 /nfs/dbraw/zinc/37/47/99/801374799.db2.gz UFYCIJVNRVVYKM-HYVNUMGLSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1(C)CCCC1 ZINC001049627297 801376926 /nfs/dbraw/zinc/37/69/26/801376926.db2.gz QXXDZTCCGGFVKI-CVEARBPZSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CC1 ZINC001049634132 801378781 /nfs/dbraw/zinc/37/87/81/801378781.db2.gz PAWBMYDBRHFUEC-HOTGVXAUSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC ZINC001049639294 801380632 /nfs/dbraw/zinc/38/06/32/801380632.db2.gz OMCADGVHYUAXQG-LSDHHAIUSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)C1CC1 ZINC001049660169 801382643 /nfs/dbraw/zinc/38/26/43/801382643.db2.gz MFTBICQXJAXNPY-CVEARBPZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)CC ZINC001049680658 801383801 /nfs/dbraw/zinc/38/38/01/801383801.db2.gz KRKILIRDNCNIEX-UONOGXRCSA-N 1 1 298.858 3.240 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)CC ZINC001049680658 801383807 /nfs/dbraw/zinc/38/38/07/801383807.db2.gz KRKILIRDNCNIEX-UONOGXRCSA-N 1 1 298.858 3.240 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCCF ZINC001049693399 801384812 /nfs/dbraw/zinc/38/48/12/801384812.db2.gz MPDGNUNGOOHWAQ-BFYDXBDKSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CC1 ZINC001049694835 801385278 /nfs/dbraw/zinc/38/52/78/801385278.db2.gz RUEGAHLUGLMDGG-JFIYKMOQSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(C)c1C ZINC001049876170 801390215 /nfs/dbraw/zinc/39/02/15/801390215.db2.gz OLXARIRCICERRV-ZWKOTPCHSA-N 1 1 298.430 3.168 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C)cc1 ZINC001049866127 801391789 /nfs/dbraw/zinc/39/17/89/801391789.db2.gz ZARYAZNSYYOENI-ROUUACIJSA-N 1 1 298.430 3.250 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2CCCN(C(=O)C3CCCCCC3)[C@@H]2C1 ZINC001049997790 801395373 /nfs/dbraw/zinc/39/53/73/801395373.db2.gz XUBFWLBTFNHPHV-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)CCC3CCC3)[C@@H]2C1 ZINC001050012179 801398460 /nfs/dbraw/zinc/39/84/60/801398460.db2.gz ZJOGALXMCPDZFM-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](NC(=O)CC2=CCCCC2)CC1 ZINC001052258679 801428071 /nfs/dbraw/zinc/42/80/71/801428071.db2.gz SXHFCNMKRCEJEW-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC001052551483 801438950 /nfs/dbraw/zinc/43/89/50/801438950.db2.gz CHKQIOUVKZAZID-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2(C)CCCC2)CC1 ZINC001052603332 801440904 /nfs/dbraw/zinc/44/09/04/801440904.db2.gz VJLVUAKYBLOOHY-AWEZNQCLSA-N 1 1 298.858 3.290 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)C2(C)CCCC2)CC1 ZINC001052602988 801441421 /nfs/dbraw/zinc/44/14/21/801441421.db2.gz QPLBHHYXRVFSHA-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C2(C)CCCCC2)CC1 ZINC001052680412 801445342 /nfs/dbraw/zinc/44/53/42/801445342.db2.gz KGQZEOOFFDJPHV-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C2CCC(=C)CC2)CC1 ZINC001052677155 801445384 /nfs/dbraw/zinc/44/53/84/801445384.db2.gz NENHLXVLKPCHPP-QGZVFWFLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC(C)C)C1 ZINC001053062878 801465585 /nfs/dbraw/zinc/46/55/85/801465585.db2.gz DNAITMXXZPAAFT-IRXDYDNUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCC)C1 ZINC001053060538 801465995 /nfs/dbraw/zinc/46/59/95/801465995.db2.gz ARMZVZDTEHVFRS-IRXDYDNUSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2ccoc2Cl)CC[C@H]1C ZINC001071453830 801535586 /nfs/dbraw/zinc/53/55/86/801535586.db2.gz AIKVIGUCQARXBE-VXGBXAGGSA-N 1 1 296.798 3.092 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C=C2CCC2)CC[C@@H]1C ZINC001071423333 801537331 /nfs/dbraw/zinc/53/73/31/801537331.db2.gz AXYUVWALQPWEHP-HOCLYGCPSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2ccsc2C)CC[C@@H]1C ZINC001071494619 801540841 /nfs/dbraw/zinc/54/08/41/801540841.db2.gz VXCGEGXXNCIUQR-GXTWGEPZSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)C2(C)CCC2)CC[C@H]1C ZINC001071741601 801546817 /nfs/dbraw/zinc/54/68/17/801546817.db2.gz HRHKBLCYBOBYLD-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)C2CC3(CC3)C2)CC[C@H]1C ZINC001071819123 801553450 /nfs/dbraw/zinc/55/34/50/801553450.db2.gz SGSHWJURRWAIJK-GDBMZVCRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CCCC)C2)C1 ZINC001071803354 801554637 /nfs/dbraw/zinc/55/46/37/801554637.db2.gz LAYNMXUMKKZYIF-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc(C(C)C)c2)CC[C@@H]1C ZINC001071963714 801559512 /nfs/dbraw/zinc/55/95/12/801559512.db2.gz HWQIBLWNNMXARS-YJBOKZPZSA-N 1 1 298.430 3.026 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2ccc(F)s2)CC[C@@H]1C ZINC001072112652 801565639 /nfs/dbraw/zinc/56/56/39/801565639.db2.gz DEWCFFNIXKCZPG-NWDGAFQWSA-N 1 1 296.411 3.046 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2ccoc2C(C)C)CC[C@@H]1C ZINC001072103283 801565739 /nfs/dbraw/zinc/56/57/39/801565739.db2.gz WHHRSDFIKUBFPR-KBPBESRZSA-N 1 1 290.407 3.172 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CCCCCC1 ZINC001085509375 801692041 /nfs/dbraw/zinc/69/20/41/801692041.db2.gz WKADAYLTUNFLBV-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC(C)=C(C)C1 ZINC001085612422 801696204 /nfs/dbraw/zinc/69/62/04/801696204.db2.gz QXSRUWNAMWCHHP-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2occc2c1 ZINC001085610054 801696278 /nfs/dbraw/zinc/69/62/78/801696278.db2.gz IDYPYOVLQZMOMA-INIZCTEOSA-N 1 1 298.386 3.155 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC(C)(C)C1 ZINC001085990550 801715646 /nfs/dbraw/zinc/71/56/46/801715646.db2.gz SGSNTTTVWKHDAC-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H]2[C@H](NC(=O)C(C)C)C(C)(C)[C@H]21 ZINC001087274899 801748481 /nfs/dbraw/zinc/74/84/81/801748481.db2.gz YEDQGRGIUNEXHA-RDBSUJKOSA-N 1 1 298.858 3.000 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C(C)C)C(C)(C)[C@H]21 ZINC001087274899 801748485 /nfs/dbraw/zinc/74/84/85/801748485.db2.gz YEDQGRGIUNEXHA-RDBSUJKOSA-N 1 1 298.858 3.000 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C)[C@H]1CC ZINC001087490054 801753297 /nfs/dbraw/zinc/75/32/97/801753297.db2.gz CMEDZKXZCHMGEQ-DLBZAZTESA-N 1 1 286.419 3.154 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)CC2=CCCCC2)[C@H]1CC ZINC001087522024 801755819 /nfs/dbraw/zinc/75/58/19/801755819.db2.gz JFUFMXOKIKFIIA-JKSUJKDBSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2(C3CC3)CCC2)[C@H]1CC ZINC001087674420 801761636 /nfs/dbraw/zinc/76/16/36/801761636.db2.gz JPWFJCLMBGYGAY-JKSUJKDBSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccsc2Cl)[C@H]1CC ZINC001087749745 801765506 /nfs/dbraw/zinc/76/55/06/801765506.db2.gz XYGPXZNGLKREOC-NWDGAFQWSA-N 1 1 298.839 3.170 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CC(C)(C)C)C[C@@H]2C1 ZINC001087886538 801770564 /nfs/dbraw/zinc/77/05/64/801770564.db2.gz OHOXJDSTLMBBKJ-CVEARBPZSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C(C)=C2CCC2)[C@H]1C ZINC001088560587 801801275 /nfs/dbraw/zinc/80/12/75/801801275.db2.gz YUZSDIQTIYGGRN-ZBFHGGJFSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2(C3CCC3)CCC2)[C@H]1C ZINC001088776555 801806989 /nfs/dbraw/zinc/80/69/89/801806989.db2.gz BQEVWDZDJRJGLV-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc3ccccc3c2)[C@H]1C ZINC001088998625 801816331 /nfs/dbraw/zinc/81/63/31/801816331.db2.gz GJDCXVLLLFZYMD-KDOFPFPSSA-N 1 1 294.398 3.218 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cc3cc(C)ccc3o2)[C@H]1C ZINC001089060025 801818144 /nfs/dbraw/zinc/81/81/44/801818144.db2.gz OKVOQTOWQURGQG-HIFRSBDPSA-N 1 1 298.386 3.120 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc3ccccc3o2)[C@H]1C ZINC001089021460 801818704 /nfs/dbraw/zinc/81/87/04/801818704.db2.gz PJZZKNFPXJJQHK-HIFRSBDPSA-N 1 1 298.386 3.202 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)CCC(C)=C(C)C2)[C@H]1C ZINC001089068247 801821407 /nfs/dbraw/zinc/82/14/07/801821407.db2.gz ULMJKZFOIRFNOQ-RYRKJORJSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C(C)C)CC(C)(C)C1 ZINC001089320100 801832905 /nfs/dbraw/zinc/83/29/05/801832905.db2.gz GSYQNCJMMIKVBX-CYBMUJFWSA-N 1 1 286.847 3.002 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C2CC=CC2)CC(C)(C)C1 ZINC001089346841 801833277 /nfs/dbraw/zinc/83/32/77/801833277.db2.gz HVHOQCBWVRJJLC-INIZCTEOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C2CCC2)CC(C)(C)C1 ZINC001089416804 801838031 /nfs/dbraw/zinc/83/80/31/801838031.db2.gz PTZIUWIIPYIBAO-HOCLYGCPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C2CC2)CC(C)(C)C1 ZINC001089464954 801838951 /nfs/dbraw/zinc/83/89/51/801838951.db2.gz MWEDWJMTZZONAP-OAHLLOKOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2C)CC(C)(C)C1 ZINC001089465637 801839358 /nfs/dbraw/zinc/83/93/58/801839358.db2.gz UDEDFJNXCCJJTE-OWCLPIDISA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC1(C)C ZINC001089630741 801848997 /nfs/dbraw/zinc/84/89/97/801848997.db2.gz WVBRHVCSQGNEMK-GJZGRUSLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC(C)(C)C(=O)N1C[C@H]2C[N@H+](C[C@H](C)CC)C[C@@]2(C)C1 ZINC001091916162 801859564 /nfs/dbraw/zinc/85/95/64/801859564.db2.gz CKMODJAOVPEXSC-RKVPGOIHSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](CNC(=O)C2CCCCCC2)[C@H](C)C1 ZINC001092494516 801862436 /nfs/dbraw/zinc/86/24/36/801862436.db2.gz ABRPSMAOXWOVMW-NVXWUHKLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=Cc1ccc(C(=O)NC[C@@H]2C[N@H+](CC(=C)C)C[C@H]2C)cc1 ZINC001092992004 801863720 /nfs/dbraw/zinc/86/37/20/801863720.db2.gz YIPQJYWXXUQOPE-CRAIPNDOSA-N 1 1 298.430 3.203 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C)cc1C)C2 ZINC001096472711 801889555 /nfs/dbraw/zinc/88/95/55/801889555.db2.gz VYFPAQVRRFEMBR-NJAFHUGGSA-N 1 1 298.430 3.215 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)c1ccccc1C)C2 ZINC001096592829 801889720 /nfs/dbraw/zinc/88/97/20/801889720.db2.gz BKSWUGNZHALELC-LMSBXDPUSA-N 1 1 298.430 3.006 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)cccc1C)C2 ZINC001097906538 801905360 /nfs/dbraw/zinc/90/53/60/801905360.db2.gz PWIMDBYWXQHRHI-ZACQAIPSSA-N 1 1 298.430 3.215 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C)cc1C)C2 ZINC001098316993 801910085 /nfs/dbraw/zinc/91/00/85/801910085.db2.gz AUCORWDEWBBMCF-NXHRZFHOSA-N 1 1 298.430 3.215 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCCC ZINC001098900510 801919951 /nfs/dbraw/zinc/91/99/51/801919951.db2.gz QZNRKXUFGRWTQG-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1C/C=C/Cl ZINC001098965787 801922801 /nfs/dbraw/zinc/92/28/01/801922801.db2.gz BJGWEWLUMWMJIH-XYYIANASSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)/C(C)=C\C ZINC001099001563 801924272 /nfs/dbraw/zinc/92/42/72/801924272.db2.gz VBWJXDVVJAVTCG-XIEDVDOYSA-N 1 1 278.440 3.136 20 30 CGEDMO C#CCCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC(C)C ZINC001099043237 801926422 /nfs/dbraw/zinc/92/64/22/801926422.db2.gz LKQBXDIAIMFZRH-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)C1CCC1 ZINC001099122352 801929573 /nfs/dbraw/zinc/92/95/73/801929573.db2.gz YOQRNZIKRMNJBR-ZBFHGGJFSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC ZINC001099189651 801931995 /nfs/dbraw/zinc/93/19/95/801931995.db2.gz VMEVFZOHEYDURF-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCF ZINC001099214182 801933882 /nfs/dbraw/zinc/93/38/82/801933882.db2.gz HSKVGGYUNXRVQZ-YOEHRIQHSA-N 1 1 298.446 3.165 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCF ZINC001099214182 801933884 /nfs/dbraw/zinc/93/38/84/801933884.db2.gz HSKVGGYUNXRVQZ-YOEHRIQHSA-N 1 1 298.446 3.165 20 30 CGEDMO C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)C(C)C ZINC001099257326 801934645 /nfs/dbraw/zinc/93/46/45/801934645.db2.gz DITFGWOTHSHZCJ-CVEARBPZSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)CCC)C[C@]2(C)C1 ZINC001101349016 801977024 /nfs/dbraw/zinc/97/70/24/801977024.db2.gz SZOCDXBPZHWLEV-QAPCUYQASA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CN(C(=O)CCCCC(C)C)C[C@]2(C)C1 ZINC001101399257 801977921 /nfs/dbraw/zinc/97/79/21/801977921.db2.gz RKPWIKZKERFDMY-AEFFLSMTSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C)CC(C)C)C[C@]2(C)C1 ZINC001101408089 801978338 /nfs/dbraw/zinc/97/83/38/801978338.db2.gz LKDVAEOMUASUGN-NUJGCVRESA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CC(C)(C)C)[C@H](C)C1 ZINC001101726281 801986932 /nfs/dbraw/zinc/98/69/32/801986932.db2.gz OFJQDKQHSLMIDV-OWCLPIDISA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)CCCC)[C@H](C)C1 ZINC001101735953 801990281 /nfs/dbraw/zinc/99/02/81/801990281.db2.gz GSQFSJBOFDVCHX-BZUAXINKSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](CNC(=O)CC2(C)CCCC2)[C@H](C)C1 ZINC001101937972 801996293 /nfs/dbraw/zinc/99/62/93/801996293.db2.gz DCJSAVBMBIOFDB-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C ZINC001102222864 801999833 /nfs/dbraw/zinc/99/98/33/801999833.db2.gz IZBTXFQYPQCPFE-HZPDHXFCSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1C[N@@H+](CCCCC)C[C@H]1C ZINC001102229900 801999946 /nfs/dbraw/zinc/99/99/46/801999946.db2.gz JHNBRYCLQJWDKK-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)C(CC)CC)[C@H](C)C1 ZINC001102108613 802000869 /nfs/dbraw/zinc/00/08/69/802000869.db2.gz USGCLESFRRSRIP-HLLBOEOZSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCCCC(=O)NC[C@@H]1C[N@@H+](CC(CC)CC)C[C@H]1C ZINC001102298594 802003647 /nfs/dbraw/zinc/00/36/47/802003647.db2.gz VNZFBGGVJWAZQE-NVXWUHKLSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)CC(C)C)[C@H](C)C1 ZINC001102486047 802012063 /nfs/dbraw/zinc/01/20/63/802012063.db2.gz OATRMTWOLBHERK-GVDBMIGSSA-N 1 1 294.483 3.319 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)CCCCCC)[C@H](C)C1 ZINC001102543904 802013390 /nfs/dbraw/zinc/01/33/90/802013390.db2.gz SVEDHCPNYIUBGG-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCC(=O)NCC[C@@H]1C[N@@H+]([C@@H](C)CCC=C)C[C@H]1C ZINC001102762410 802020210 /nfs/dbraw/zinc/02/02/10/802020210.db2.gz ZINGVBZJVZSUCD-IXDOHACOSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)=C2CCC2)C1 ZINC001102961914 802025624 /nfs/dbraw/zinc/02/56/24/802025624.db2.gz ZMZBJWFRVLYBNH-RHSMWYFYSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(C)CCC2)C1 ZINC001103321988 802031896 /nfs/dbraw/zinc/03/18/96/802031896.db2.gz FAXBZFINUODHPP-TZMCWYRMSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C1CC(C)(C(=O)NCC[C@@H]2C[N@@H+](CC(C)C)C[C@H]2C)C1 ZINC001103418688 802035234 /nfs/dbraw/zinc/03/52/34/802035234.db2.gz USSHVLMRJOFTFV-HZPDHXFCSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC1(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC)CC3)CCC1 ZINC001107537385 802090839 /nfs/dbraw/zinc/09/08/39/802090839.db2.gz ZXYIQAWLQQCJEQ-CRAIPNDOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](C)CC(C)C ZINC001109054947 802106862 /nfs/dbraw/zinc/10/68/62/802106862.db2.gz HQXVDKLOZGDCAF-NCOADZHNSA-N 1 1 292.467 3.356 20 30 CGEDMO C#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCCC ZINC001109204621 802109567 /nfs/dbraw/zinc/10/95/67/802109567.db2.gz UEIPSXWARUFVGO-IKGGRYGDSA-N 1 1 290.451 3.092 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C=C(\C)CC)C2 ZINC001109245482 802111763 /nfs/dbraw/zinc/11/17/63/802111763.db2.gz RQWYMLRADTWZKW-JBXBIEEFSA-N 1 1 290.451 3.419 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C=C(\C)CC)C2 ZINC001109245480 802113158 /nfs/dbraw/zinc/11/31/58/802113158.db2.gz RQWYMLRADTWZKW-AOZXQLETSA-N 1 1 290.451 3.419 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC/C=C\CC ZINC001109353570 802114868 /nfs/dbraw/zinc/11/48/68/802114868.db2.gz NTLRANWSOABOIQ-FTOHCMMFSA-N 1 1 290.451 3.421 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCCF ZINC001109353064 802115417 /nfs/dbraw/zinc/11/54/17/802115417.db2.gz HTVPZRDUXCXXKR-PMPSAXMXSA-N 1 1 296.430 3.204 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@@H](C)F ZINC001109596080 802117616 /nfs/dbraw/zinc/11/76/16/802117616.db2.gz FINSZIMHKPCNMM-KBXIAJHMSA-N 1 1 296.430 3.058 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(C)=C(C)C)C2 ZINC001109613959 802119040 /nfs/dbraw/zinc/11/90/40/802119040.db2.gz ZDSOTYFBFLPYOI-PMPSAXMXSA-N 1 1 276.424 3.030 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)CC(C)(C)C)C2 ZINC001110131797 802131783 /nfs/dbraw/zinc/13/17/83/802131783.db2.gz FCGDYGGILQLVOU-ILXRZTDVSA-N 1 1 292.467 3.356 20 30 CGEDMO CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC1)C2 ZINC001110234040 802134132 /nfs/dbraw/zinc/13/41/32/802134132.db2.gz XPAGQZBJZHGTCE-ZACQAIPSSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)CCCC)C2 ZINC001110313167 802137026 /nfs/dbraw/zinc/13/70/26/802137026.db2.gz BPNZKKUZCCFZKP-FPCVCCKLSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)C(C)C)C2 ZINC001110373562 802138399 /nfs/dbraw/zinc/13/83/99/802138399.db2.gz LVRQVMHWUHPCDG-VQHPVUNQSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)/C(C)=C/CC)C2 ZINC001110349104 802139110 /nfs/dbraw/zinc/13/91/10/802139110.db2.gz HRRADUYUZDHLMK-YIVQKJEISA-N 1 1 290.451 3.419 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)/C=C\C1CC1)C2 ZINC001110427325 802141072 /nfs/dbraw/zinc/14/10/72/802141072.db2.gz PUWIJIKWZVSKSN-QHXOCAOISA-N 1 1 288.435 3.029 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC(=C)C)C2 ZINC001110609765 802146607 /nfs/dbraw/zinc/14/66/07/802146607.db2.gz VJSJRTOFLTVEPJ-VQHPVUNQSA-N 1 1 290.451 3.419 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC/C=C/CC ZINC001110898464 802148744 /nfs/dbraw/zinc/14/87/44/802148744.db2.gz GTTGUUNKBCLLTG-FKIISCEGSA-N 1 1 290.451 3.276 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC1(C)C)C2 ZINC001110918820 802150613 /nfs/dbraw/zinc/15/06/13/802150613.db2.gz UVXLQCVPRAXSDE-FPCVCCKLSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)CC(C)C)C2 ZINC001111192850 802156425 /nfs/dbraw/zinc/15/64/25/802156425.db2.gz XAEXPEUXISHJSZ-VQHPVUNQSA-N 1 1 292.467 3.356 20 30 CGEDMO C=C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC)c1ccccc1 ZINC001111441338 802160845 /nfs/dbraw/zinc/16/08/45/802160845.db2.gz IJWGJXJXEKVJGY-DDBAPUKQSA-N 1 1 298.430 3.088 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C=C(C)C)C1 ZINC001111579050 802163003 /nfs/dbraw/zinc/16/30/03/802163003.db2.gz HDGBHNKFZYUTTI-BQFCYCMXSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)/C=C\C(C)(C)C)C1 ZINC001111667136 802164725 /nfs/dbraw/zinc/16/47/25/802164725.db2.gz VJBJWFKMXRRPMB-GLRSMIPWSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@]12CCC[C@H]1C[N@H+](CCC)C2 ZINC001111760075 802168848 /nfs/dbraw/zinc/16/88/48/802168848.db2.gz XUCXECTVYIRICR-WMZOPIPTSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC(C)=C(C)C)C1 ZINC001111838670 802170075 /nfs/dbraw/zinc/17/00/75/802170075.db2.gz DBHOWZYKNQXNOQ-WMZOPIPTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC(C)C)C1 ZINC001111878676 802170198 /nfs/dbraw/zinc/17/01/98/802170198.db2.gz DEDQRRORRXCJIK-WMZOPIPTSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)CCC)C1 ZINC001111916749 802172120 /nfs/dbraw/zinc/17/21/20/802172120.db2.gz DOWIPZWQGNGVQK-BQFCYCMXSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCCCCC[NH+]1CCN(C(=O)c2ccoc2C)CC1 ZINC001112605462 802180251 /nfs/dbraw/zinc/18/02/51/802180251.db2.gz DEIUWGPNVPKOBW-UHFFFAOYSA-N 1 1 292.423 3.316 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1C ZINC001113790676 802234449 /nfs/dbraw/zinc/23/44/49/802234449.db2.gz KMTWFDLRTPAQGA-BGTYHANMSA-N 1 1 298.430 3.010 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H]2C(NC(=O)/C=C(/C)CC)[C@@H]2C1 ZINC001114239929 802240805 /nfs/dbraw/zinc/24/08/05/802240805.db2.gz OIAQODJUAVYHRL-RDBAHBQMSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[C@H](C)CC ZINC001114332220 802240980 /nfs/dbraw/zinc/24/09/80/802240980.db2.gz VUBKSGPXEYIJGG-CBZIJGRNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCCCC)C[C@H]21 ZINC001114340722 802241403 /nfs/dbraw/zinc/24/14/03/802241403.db2.gz LJEQBBBRLCEDKF-QLPKVWCKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)CCC ZINC001114767435 802244403 /nfs/dbraw/zinc/24/44/03/802244403.db2.gz ILKXRZIHBFWAOZ-CAOSSQGBSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C)cc1 ZINC001115161712 802254690 /nfs/dbraw/zinc/25/46/90/802254690.db2.gz KRYAHKPQDIKJEX-DZJNRPSUSA-N 1 1 298.430 3.010 20 30 CGEDMO C#CC[N@@H+](Cc1cc(C(C)=O)ccc1OCC)CC1CC1 ZINC001116366860 802337615 /nfs/dbraw/zinc/33/76/15/802337615.db2.gz YFHOFSRXAUMEQT-UHFFFAOYSA-N 1 1 285.387 3.133 20 30 CGEDMO C#CC[N@H+](Cc1cc(C(C)=O)ccc1OCC)CC1CC1 ZINC001116366860 802337621 /nfs/dbraw/zinc/33/76/21/802337621.db2.gz YFHOFSRXAUMEQT-UHFFFAOYSA-N 1 1 285.387 3.133 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](CCCOc2cccc(Cl)c2)C1 ZINC001116541968 802374062 /nfs/dbraw/zinc/37/40/62/802374062.db2.gz NWRPPVSRWGCUBN-INIZCTEOSA-N 1 1 295.810 3.386 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CC)CCNC(=O)C1CC(C)(C)C1 ZINC001266388241 808254680 /nfs/dbraw/zinc/25/46/80/808254680.db2.gz WIWTUNATLLTGRT-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[C@@H](C(=O)Nc1cc(C)[nH+]c(C)c1)c1ccccc1 ZINC001116679517 802396197 /nfs/dbraw/zinc/39/61/97/802396197.db2.gz JCOKSCBHBZWADP-QGZVFWFLSA-N 1 1 280.371 3.419 20 30 CGEDMO CCC[N@@H+](CCc1ccccn1)[C@H](C)CCCC#N ZINC001172501745 808357191 /nfs/dbraw/zinc/35/71/91/808357191.db2.gz RFIAUJPCAIYLGS-OAHLLOKOSA-N 1 1 259.397 3.418 20 30 CGEDMO COc1ccc(CC[N@@H+](C)[C@H](C)CCCC#N)cc1 ZINC001172502376 808357206 /nfs/dbraw/zinc/35/72/06/808357206.db2.gz VKIZIBMPUKVUTA-CQSZACIVSA-N 1 1 260.381 3.252 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](C)CC)C1 ZINC001270941553 808755233 /nfs/dbraw/zinc/75/52/33/808755233.db2.gz VLHYBIXMDQAAEP-DOTOQJQBSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](CCSc2cccc(OC)c2)C1 ZINC001118496346 802577898 /nfs/dbraw/zinc/57/78/98/802577898.db2.gz VKPAAWGWAOEQAP-OAHLLOKOSA-N 1 1 293.432 3.064 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CC(=C)C)C1 ZINC001120348150 802740413 /nfs/dbraw/zinc/74/04/13/802740413.db2.gz QLGWRYJUMDKNKE-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CC)C1 ZINC001120422325 802744346 /nfs/dbraw/zinc/74/43/46/802744346.db2.gz LPYKCQOCUQKRKN-HOTGVXAUSA-N 1 1 278.440 3.066 20 30 CGEDMO CC(C)C1(C[N@@H+](C)CCOCc2ccc(C#N)cc2)CC1 ZINC001182138677 810094685 /nfs/dbraw/zinc/09/46/85/810094685.db2.gz JSZJNRBKBXEQGQ-UHFFFAOYSA-N 1 1 286.419 3.443 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001120594440 802752180 /nfs/dbraw/zinc/75/21/80/802752180.db2.gz OODSSVHNDIDYGY-XHSDSOJGSA-N 1 1 278.440 3.207 20 30 CGEDMO C=C(C)CCC(=O)NCC[NH2+]Cc1c(F)cccc1Cl ZINC001128405355 803190428 /nfs/dbraw/zinc/19/04/28/803190428.db2.gz WGLXLLVUIUESIL-UHFFFAOYSA-N 1 1 298.789 3.041 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC(C)C)C1 ZINC001208809338 813854932 /nfs/dbraw/zinc/85/49/32/813854932.db2.gz MJGZKLRMCDNDHC-TZMCWYRMSA-N 1 1 286.847 3.002 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC(C)C)C1 ZINC001208809338 813854942 /nfs/dbraw/zinc/85/49/42/813854942.db2.gz MJGZKLRMCDNDHC-TZMCWYRMSA-N 1 1 286.847 3.002 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H](NC(=O)CC)CC[C@H]1C ZINC001131736216 803338490 /nfs/dbraw/zinc/33/84/90/803338490.db2.gz WOJCAUIAHHYQIO-CABCVRRESA-N 1 1 266.429 3.112 20 30 CGEDMO C=CCCC[N@H+]1C[C@H](NC(=O)/C(C)=C\CC)CC[C@H]1C ZINC001131871728 803354213 /nfs/dbraw/zinc/35/42/13/803354213.db2.gz WOMIYZHKVVRKBD-KUKCEQTMSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC2CC(C)(C)C2)C1 ZINC001131894960 803355846 /nfs/dbraw/zinc/35/58/46/803355846.db2.gz DOJLPMSWROVHBF-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)C(F)=C(C)C)CC[C@@H]1C ZINC001131968840 803362548 /nfs/dbraw/zinc/36/25/48/803362548.db2.gz SLEKAPXKKKRUBI-KBPBESRZSA-N 1 1 282.403 3.185 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CCC2CC2)C1 ZINC001132217998 803379499 /nfs/dbraw/zinc/37/94/99/803379499.db2.gz KFUHJSMSTRULRB-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)C/C=C(/C)C=C)CC[C@@H]1C ZINC001132225463 803381297 /nfs/dbraw/zinc/38/12/97/803381297.db2.gz XFLALPLQXBYFGE-DKJKAOOUSA-N 1 1 290.451 3.444 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)C(C)(C)C=C)CC[C@@H]1C ZINC001132228538 803383501 /nfs/dbraw/zinc/38/35/01/803383501.db2.gz SIEFODHAZJIBHI-LSDHHAIUSA-N 1 1 278.440 3.134 20 30 CGEDMO C#CCCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=C)C)C1 ZINC001132228288 803383729 /nfs/dbraw/zinc/38/37/29/803383729.db2.gz OMWRYXGDVCZJBX-IAGOWNOFSA-N 1 1 290.451 3.115 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)C2(CCCC)CC2)CC[C@@H]1C ZINC001132278488 803389847 /nfs/dbraw/zinc/38/98/47/803389847.db2.gz PLYZJZSGQIJGPR-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)C2(CCCC)CC2)CC[C@H]1C ZINC001132278490 803390266 /nfs/dbraw/zinc/39/02/66/803390266.db2.gz PLYZJZSGQIJGPR-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@H+]1C[C@H](NC(=O)C(C)(C)CC)CC[C@H]1C ZINC001132287864 803392301 /nfs/dbraw/zinc/39/23/01/803392301.db2.gz KMBBXTPTWLPXLH-HUUCEWRRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(C)C)C1 ZINC001132331914 803396235 /nfs/dbraw/zinc/39/62/35/803396235.db2.gz QCHGPQFWLFJYII-LSDHHAIUSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)CCCCC(C)C)CC[C@@H]1C ZINC001132369425 803397451 /nfs/dbraw/zinc/39/74/51/803397451.db2.gz XDYWBHUNRXSUKC-JKSUJKDBSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)CCC(C)(C)C)CC[C@H]1C ZINC001132372331 803398031 /nfs/dbraw/zinc/39/80/31/803398031.db2.gz PZAAUEKACMOBBI-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO C#CC[N@H+]1C[C@@H](NC(=O)CCCCCC(C)C)CC[C@H]1C ZINC001132339795 803398521 /nfs/dbraw/zinc/39/85/21/803398521.db2.gz JRJJISSKPWXIEB-SJORKVTESA-N 1 1 292.467 3.195 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)C2(CC)CCCC2)CC[C@H]1C ZINC001132397826 803400288 /nfs/dbraw/zinc/40/02/88/803400288.db2.gz WWTMOYMHCKCXMH-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC)C2)CCCC1 ZINC001132546191 803413066 /nfs/dbraw/zinc/41/30/66/803413066.db2.gz JLSHJDPUAOBTRG-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC)C2)CCCC1 ZINC001132546192 803413451 /nfs/dbraw/zinc/41/34/51/803413451.db2.gz JLSHJDPUAOBTRG-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2c[nH]c3c2cccc3F)C1 ZINC001137057501 803677484 /nfs/dbraw/zinc/67/74/84/803677484.db2.gz DUYSEIRGVRDRGE-GFCCVEGCSA-N 1 1 271.339 3.433 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2ccccc2[nH]c1=O ZINC001137187185 803694417 /nfs/dbraw/zinc/69/44/17/803694417.db2.gz GHOAOMGQXSJYQD-DVSIDAKKSA-N 1 1 293.370 3.207 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1nc2ccccn2c1C ZINC001137274058 803706694 /nfs/dbraw/zinc/70/66/94/803706694.db2.gz FCQPGJBGWJWFBI-UHFFFAOYSA-N 1 1 257.381 3.431 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCCC23CC3)c(Br)c1 ZINC001137632613 803748164 /nfs/dbraw/zinc/74/81/64/803748164.db2.gz GBQWZWYZTGHLKD-UHFFFAOYSA-N 1 1 291.192 3.449 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCC23CC3)c(Br)c1 ZINC001137632613 803748168 /nfs/dbraw/zinc/74/81/68/803748168.db2.gz GBQWZWYZTGHLKD-UHFFFAOYSA-N 1 1 291.192 3.449 20 30 CGEDMO COc1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c(C#N)c1 ZINC001137699657 803760893 /nfs/dbraw/zinc/76/08/93/803760893.db2.gz PEQFWYGUXLZAKR-OKILXGFUSA-N 1 1 270.376 3.189 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2ccc(C#Cc3ccccc3)cc2)C1 ZINC001138335479 803899327 /nfs/dbraw/zinc/89/93/27/803899327.db2.gz TUTLLBLLWBXTSY-FQEVSTJZSA-N 1 1 291.394 3.307 20 30 CGEDMO CCCCN(CC#N)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138549052 803964876 /nfs/dbraw/zinc/96/48/76/803964876.db2.gz PJEVJMYRXVCZQT-UHFFFAOYSA-N 1 1 282.391 3.306 20 30 CGEDMO C#CCOc1ccc(C[N@@H+](C2CCC2)C2CCOCC2)cc1 ZINC001138561109 803968338 /nfs/dbraw/zinc/96/83/38/803968338.db2.gz ZZGYQPUTBUEXSR-UHFFFAOYSA-N 1 1 299.414 3.232 20 30 CGEDMO C#CC[NH+](CC#C)Cc1ccc(-n2cnc3ccccc32)cc1 ZINC001138584055 803974134 /nfs/dbraw/zinc/97/41/34/803974134.db2.gz JXVGKSWDRGDKCG-UHFFFAOYSA-N 1 1 299.377 3.094 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CCc3cccnc3C2)c1O ZINC001138630004 803986305 /nfs/dbraw/zinc/98/63/05/803986305.db2.gz NJEBJSMKGOOGMQ-UHFFFAOYSA-N 1 1 280.371 3.074 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cccn2-c2ccccc2F)C1 ZINC001138633413 803988472 /nfs/dbraw/zinc/98/84/72/803988472.db2.gz WWKHMFYDAJSSQC-OAHLLOKOSA-N 1 1 282.362 3.462 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+](CCCO)C(C)C ZINC001138665271 803996101 /nfs/dbraw/zinc/99/61/01/803996101.db2.gz KSJIGRFDJCFQOV-UHFFFAOYSA-N 1 1 277.408 3.234 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1C[C@H]2OC[C@@H](C)[C@H]2C1 ZINC001138665816 803997214 /nfs/dbraw/zinc/99/72/14/803997214.db2.gz XAALATCZMNKILG-QGPMSJSTSA-N 1 1 287.403 3.108 20 30 CGEDMO N#CCC[N@H+](Cc1cnc2[nH]ccc2c1)C1CCCC1 ZINC001138739464 804024832 /nfs/dbraw/zinc/02/48/32/804024832.db2.gz TYCMHWLYTFHNMF-UHFFFAOYSA-N 1 1 268.364 3.221 20 30 CGEDMO N#CCC[N@@H+](Cc1cnc2[nH]ccc2c1)C1CCCC1 ZINC001138739464 804024840 /nfs/dbraw/zinc/02/48/40/804024840.db2.gz TYCMHWLYTFHNMF-UHFFFAOYSA-N 1 1 268.364 3.221 20 30 CGEDMO C=CC[N@@H+](Cc1ccnn1[C@@H]1CCCCO1)C(C)(C)C ZINC001138788022 804039685 /nfs/dbraw/zinc/03/96/85/804039685.db2.gz DQUYQMBKKHZWGB-HNNXBMFYSA-N 1 1 277.412 3.369 20 30 CGEDMO CCC(=O)Oc1ccc(C[N@H+]2CCC[C@H](C#N)CC2)cc1 ZINC001138966188 804093176 /nfs/dbraw/zinc/09/31/76/804093176.db2.gz KBBFXBDHUOIMIF-AWEZNQCLSA-N 1 1 286.375 3.128 20 30 CGEDMO CCCCCCCCCC[C@H](O)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246029552 804102085 /nfs/dbraw/zinc/10/20/85/804102085.db2.gz PYQZDAUGTRNRFI-KSZLIROESA-N 1 1 296.499 3.029 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@@](C)(O)[C@H](C)C1 ZINC001139028751 804112922 /nfs/dbraw/zinc/11/29/22/804112922.db2.gz BBVKWLCOHDGUPQ-CRAIPNDOSA-N 1 1 289.419 3.234 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+](C)CCc1cccnc1 ZINC001139029774 804114701 /nfs/dbraw/zinc/11/47/01/804114701.db2.gz MWRKNUFNBLPEOB-UHFFFAOYSA-N 1 1 282.387 3.321 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC001139076714 804125433 /nfs/dbraw/zinc/12/54/33/804125433.db2.gz WJDGJPWGWUWEAS-LLVKDONJSA-N 1 1 292.766 3.194 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC001139076714 804125438 /nfs/dbraw/zinc/12/54/38/804125438.db2.gz WJDGJPWGWUWEAS-LLVKDONJSA-N 1 1 292.766 3.194 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1cn(C)c2ccc(OC)cc12 ZINC001139148507 804138726 /nfs/dbraw/zinc/13/87/26/804138726.db2.gz DLQYUFQEVUBTQN-UHFFFAOYSA-N 1 1 285.391 3.313 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1cn(C)c2ccc(OC)cc12 ZINC001139148507 804138732 /nfs/dbraw/zinc/13/87/32/804138732.db2.gz DLQYUFQEVUBTQN-UHFFFAOYSA-N 1 1 285.391 3.313 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cn(C)c3ccc(OC)cc23)C1 ZINC001139147067 804139047 /nfs/dbraw/zinc/13/90/47/804139047.db2.gz HRIAGPFXFDOVJO-AWEZNQCLSA-N 1 1 282.387 3.032 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc3cccnc3c2)C1 ZINC001139170039 804148514 /nfs/dbraw/zinc/14/85/14/804148514.db2.gz YMCLNVYTDVVODF-CQSZACIVSA-N 1 1 265.360 3.360 20 30 CGEDMO CCCCCCC[C@H](CCC)[NH2+][C@H]1CNC[C@H]1F ZINC001246127775 804154702 /nfs/dbraw/zinc/15/47/02/804154702.db2.gz QFENIAINEXBDQW-ZNMIVQPWSA-N 1 1 258.425 3.415 20 30 CGEDMO COc1cc[nH+]c(Nc2ccc(C3(C#N)CC3)cc2)c1 ZINC001212247255 814996172 /nfs/dbraw/zinc/99/61/72/814996172.db2.gz FRVVANMZWQHERK-UHFFFAOYSA-N 1 1 265.316 3.389 20 30 CGEDMO C#CC[N@H+](C)Cc1cn(C)c2ccc(Br)cc12 ZINC001139217814 804165137 /nfs/dbraw/zinc/16/51/37/804165137.db2.gz BABKDRRUCQSIGE-UHFFFAOYSA-N 1 1 291.192 3.006 20 30 CGEDMO CCCCC[C@H]([NH3+])c1nc(-c2cc(F)cc(C#N)c2)no1 ZINC001212271183 814999324 /nfs/dbraw/zinc/99/93/24/814999324.db2.gz XZXMCWGIILDSSQ-ZDUSSCGKSA-N 1 1 288.326 3.327 20 30 CGEDMO CCCCCCC[N@@H+](C)Cc1ccc(C(=O)OC)cn1 ZINC001139494796 804195477 /nfs/dbraw/zinc/19/54/77/804195477.db2.gz LVQDYRNZWHJQHA-UHFFFAOYSA-N 1 1 278.396 3.270 20 30 CGEDMO Cc1cc(C[N@@H+]2CCC[C@H](C#N)CC2)cnc1Cl ZINC001139545042 804202747 /nfs/dbraw/zinc/20/27/47/804202747.db2.gz OFZBSKIEFJZZQZ-LBPRGKRZSA-N 1 1 263.772 3.169 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@H](C#N)CC2)cnc1Cl ZINC001139545042 804202758 /nfs/dbraw/zinc/20/27/58/804202758.db2.gz OFZBSKIEFJZZQZ-LBPRGKRZSA-N 1 1 263.772 3.169 20 30 CGEDMO CCCCCCCC[C@@H](CC)[NH2+]C[C@@]1(O)CCCNC1 ZINC001246231052 804222950 /nfs/dbraw/zinc/22/29/50/804222950.db2.gz NWYVRMFXSPWTGS-IAGOWNOFSA-N 1 1 284.488 3.220 20 30 CGEDMO CCCCCCC[C@@H](CCC)[NH2+][C@H]1CNC[C@@H]1OC ZINC001246237567 804230493 /nfs/dbraw/zinc/23/04/93/804230493.db2.gz AHJUZJRXSJKTFV-PMPSAXMXSA-N 1 1 270.461 3.092 20 30 CGEDMO C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2C#N)CC[C@]1(C)O ZINC001139687619 804254955 /nfs/dbraw/zinc/25/49/55/804254955.db2.gz UOGMXGYVPOQZRZ-WBMJQRKESA-N 1 1 292.810 3.195 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2C#N)CC[C@]1(C)O ZINC001139687619 804254962 /nfs/dbraw/zinc/25/49/62/804254962.db2.gz UOGMXGYVPOQZRZ-WBMJQRKESA-N 1 1 292.810 3.195 20 30 CGEDMO C[N@@H+](CCc1ccccn1)Cc1c[nH]c2c1cccc2C#N ZINC001139701902 804258834 /nfs/dbraw/zinc/25/88/34/804258834.db2.gz SFFYFFCNPWBHFR-UHFFFAOYSA-N 1 1 290.370 3.109 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2c[nH]c3c2cccc3C#N)CC[C@@]1(C)O ZINC001139701764 804258953 /nfs/dbraw/zinc/25/89/53/804258953.db2.gz PGRFVBHMGPLXHI-SCLBCKFNSA-N 1 1 297.402 3.022 20 30 CGEDMO C=CCn1cc(C[N@@H+]2CCSC[C@H]2c2ccccc2)cn1 ZINC001139770069 804277670 /nfs/dbraw/zinc/27/76/70/804277670.db2.gz BMTMHFFCPFKRCS-KRWDZBQOSA-N 1 1 299.443 3.359 20 30 CGEDMO C=CCn1cc(C[N@H+]2CCSC[C@H]2c2ccccc2)cn1 ZINC001139770069 804277676 /nfs/dbraw/zinc/27/76/76/804277676.db2.gz BMTMHFFCPFKRCS-KRWDZBQOSA-N 1 1 299.443 3.359 20 30 CGEDMO C=CCn1cc(C[N@H+]2CCCc3ccccc3C2)cn1 ZINC001139772303 804278691 /nfs/dbraw/zinc/27/86/91/804278691.db2.gz DFIJUJZUOCSBEF-UHFFFAOYSA-N 1 1 267.376 3.018 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccc(OCC(=O)OC)cc1 ZINC001139776358 804281078 /nfs/dbraw/zinc/28/10/78/804281078.db2.gz HUBXNAMMUNPGEK-UHFFFAOYSA-N 1 1 291.391 3.027 20 30 CGEDMO COCc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)s1 ZINC001139827244 804292953 /nfs/dbraw/zinc/29/29/53/804292953.db2.gz RQGFANCGYCUAGN-UHFFFAOYSA-N 1 1 286.400 3.398 20 30 CGEDMO COCc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)s1 ZINC001139828504 804293440 /nfs/dbraw/zinc/29/34/40/804293440.db2.gz PFDFQGWDADPCAA-XYYAHUGASA-N 1 1 276.405 3.161 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)[C@H]1CCCC[C@@H]1CC ZINC001139869593 804304028 /nfs/dbraw/zinc/30/40/28/804304028.db2.gz MLKIGXNUILVQFR-HOTGVXAUSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)[C@@H]1CCC[C@H]1CCC ZINC001139874366 804305149 /nfs/dbraw/zinc/30/51/49/804305149.db2.gz WHNUDTOFRLPZLN-HZPDHXFCSA-N 1 1 280.456 3.169 20 30 CGEDMO N#Cc1cc(F)cc(C[N@H+]2CCC[C@@H](C(F)F)C2)c1 ZINC001139875189 804306074 /nfs/dbraw/zinc/30/60/74/804306074.db2.gz KEBFLVMMKHUJPJ-GFCCVEGCSA-N 1 1 268.282 3.174 20 30 CGEDMO N#Cc1cc(F)cc(C[N@@H+]2CCC[C@@H](C(F)F)C2)c1 ZINC001139875189 804306079 /nfs/dbraw/zinc/30/60/79/804306079.db2.gz KEBFLVMMKHUJPJ-GFCCVEGCSA-N 1 1 268.282 3.174 20 30 CGEDMO C[N@@H+](CCOc1ccccc1)Cc1cc(F)cc(C#N)c1 ZINC001139874795 804306830 /nfs/dbraw/zinc/30/68/30/804306830.db2.gz MHDPNMPNSSRVMK-UHFFFAOYSA-N 1 1 284.334 3.208 20 30 CGEDMO N#Cc1cc(F)cc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)c1 ZINC001139877353 804308074 /nfs/dbraw/zinc/30/80/74/804308074.db2.gz HCCKVLXITKJRBE-HUUCEWRRSA-N 1 1 258.340 3.319 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccc2cnn(C)c2c1 ZINC001139911641 804325172 /nfs/dbraw/zinc/32/51/72/804325172.db2.gz UIIJXQJAGGEKDJ-UHFFFAOYSA-N 1 1 257.381 3.361 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2ccc(O)cc2Cl)CC1 ZINC001140085763 804375207 /nfs/dbraw/zinc/37/52/07/804375207.db2.gz YRWOUUUWPQHPGO-NSHDSACASA-N 1 1 264.756 3.171 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2ccc(O)cc2Cl)CC1 ZINC001140085763 804375216 /nfs/dbraw/zinc/37/52/16/804375216.db2.gz YRWOUUUWPQHPGO-NSHDSACASA-N 1 1 264.756 3.171 20 30 CGEDMO CCN(CC)CC[N@H+](CC)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140114055 804380770 /nfs/dbraw/zinc/38/07/70/804380770.db2.gz ISODGPXEMTYJTC-UHFFFAOYSA-N 1 1 298.434 3.203 20 30 CGEDMO CCN(CC)CC[N@@H+](CC)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140114055 804380778 /nfs/dbraw/zinc/38/07/78/804380778.db2.gz ISODGPXEMTYJTC-UHFFFAOYSA-N 1 1 298.434 3.203 20 30 CGEDMO CC[N@@H+](Cc1c[nH]c2ccc(C#N)cc12)Cc1ccccn1 ZINC001140114889 804381347 /nfs/dbraw/zinc/38/13/47/804381347.db2.gz FAHJNJFNBYGSQI-UHFFFAOYSA-N 1 1 290.370 3.457 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140114525 804381526 /nfs/dbraw/zinc/38/15/26/804381526.db2.gz SOYYBCFASIGLQT-UHFFFAOYSA-N 1 1 266.348 3.165 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140114525 804381532 /nfs/dbraw/zinc/38/15/32/804381532.db2.gz SOYYBCFASIGLQT-UHFFFAOYSA-N 1 1 266.348 3.165 20 30 CGEDMO C[C@H]1CCNCC[N@H+]1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246547814 804395035 /nfs/dbraw/zinc/39/50/35/804395035.db2.gz CDFPPKSSPZSBQW-MNNVXMFVSA-N 1 1 297.446 3.268 20 30 CGEDMO C[C@H]1CC[NH2+]CCN1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246547814 804395043 /nfs/dbraw/zinc/39/50/43/804395043.db2.gz CDFPPKSSPZSBQW-MNNVXMFVSA-N 1 1 297.446 3.268 20 30 CGEDMO C=CC[NH+]1CCN(Cc2ccccc2-c2cccnc2)CC1 ZINC001140317172 804410834 /nfs/dbraw/zinc/41/08/34/804410834.db2.gz GRCXWVGNQWWNHN-UHFFFAOYSA-N 1 1 293.414 3.052 20 30 CGEDMO N#CCC1C[NH+](Cc2ccccc2-c2nccs2)C1 ZINC001140449707 804439819 /nfs/dbraw/zinc/43/98/19/804439819.db2.gz VIJWPRTXMSJXIT-UHFFFAOYSA-N 1 1 269.373 3.156 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)nc1)Cc1cccc2cccnc21 ZINC001140544430 804458661 /nfs/dbraw/zinc/45/86/61/804458661.db2.gz OSJFCCFXLPBRNS-UHFFFAOYSA-N 1 1 288.354 3.133 20 30 CGEDMO CC(C)(C#N)c1cccc(Nc2ccc[nH+]c2N)c1 ZINC001212402051 815019863 /nfs/dbraw/zinc/01/98/63/815019863.db2.gz QWWJRADQBSDAME-UHFFFAOYSA-N 1 1 252.321 3.209 20 30 CGEDMO C[N@@H+](Cc1cc(F)c(C#N)c(F)c1)Cc1ccccc1O ZINC001140756145 804505857 /nfs/dbraw/zinc/50/58/57/804505857.db2.gz GGHVKMYVCXOWBM-UHFFFAOYSA-N 1 1 288.297 3.174 20 30 CGEDMO C[N@@H+](CCc1ccccn1)Cc1cccc(C#N)c1Cl ZINC001140806949 804522624 /nfs/dbraw/zinc/52/26/24/804522624.db2.gz YHRPAFLTOVBMLQ-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1Cl)CC1CCOCC1 ZINC001140808651 804525504 /nfs/dbraw/zinc/52/55/04/804525504.db2.gz XXFBMZZUPQHBGM-UHFFFAOYSA-N 1 1 278.783 3.070 20 30 CGEDMO COc1ccc2c(c1)C[N@@H+](C1CCC(C#N)CC1)CC2 ZINC001256965211 807018741 /nfs/dbraw/zinc/01/87/41/807018741.db2.gz NCMYDWHYBLLOKF-UHFFFAOYSA-N 1 1 270.376 3.136 20 30 CGEDMO N#CC1CCC([N@H+]2CCC[C@@H]2c2ccccn2)CC1 ZINC001256968691 807019156 /nfs/dbraw/zinc/01/91/56/807019156.db2.gz KOBIVJODUGXAOS-ZBCRRDGASA-N 1 1 255.365 3.301 20 30 CGEDMO N#CC1CCC([N@H+]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC001256968826 807019314 /nfs/dbraw/zinc/01/93/14/807019314.db2.gz ORHOWVCHGXKROG-BDVYOWHSSA-N 1 1 270.376 3.142 20 30 CGEDMO C=CC[N@H+](Cc1cc(O)ccc1O)C1CCCCC1 ZINC001141161855 804601511 /nfs/dbraw/zinc/60/15/11/804601511.db2.gz GQKUQYQDFTWABS-UHFFFAOYSA-N 1 1 261.365 3.419 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@@H+](C1CCC1)C1CCOCC1 ZINC001141168857 804603648 /nfs/dbraw/zinc/60/36/48/804603648.db2.gz ZBVCZGGEBNAGEX-UHFFFAOYSA-N 1 1 288.366 3.231 20 30 CGEDMO CN(C)c1ccc(C[N@H+](C)Cc2ccc(F)cc2C#N)cc1 ZINC001141167618 804603876 /nfs/dbraw/zinc/60/38/76/804603876.db2.gz RZLXJJCNNPBHOI-UHFFFAOYSA-N 1 1 297.377 3.395 20 30 CGEDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc(F)cc2C#N)cc1 ZINC001141167618 804603878 /nfs/dbraw/zinc/60/38/78/804603878.db2.gz RZLXJJCNNPBHOI-UHFFFAOYSA-N 1 1 297.377 3.395 20 30 CGEDMO CCCCCCC[C@@H](CCC)[N@H+]1CC[C@](N)(C(=O)OC)C1 ZINC001246926165 804604076 /nfs/dbraw/zinc/60/40/76/804604076.db2.gz SHYQEWWBGDNMJQ-NVXWUHKLSA-N 1 1 298.471 3.092 20 30 CGEDMO CCCCCCCCNC(=S)N1CCC[N@@H+](CC)CC1 ZINC001247127927 804666833 /nfs/dbraw/zinc/66/68/33/804666833.db2.gz LBNZJMGYBHLMNN-UHFFFAOYSA-N 1 1 299.528 3.249 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)Cc1ccc(Cl)nn1 ZINC001142073409 804694143 /nfs/dbraw/zinc/69/41/43/804694143.db2.gz MSEICLDTMCWAJE-UHFFFAOYSA-N 1 1 273.767 3.318 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(Cl)nn1 ZINC001142073409 804694145 /nfs/dbraw/zinc/69/41/45/804694145.db2.gz MSEICLDTMCWAJE-UHFFFAOYSA-N 1 1 273.767 3.318 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2ccc(OC)cc2Cl)no1 ZINC001247622591 804782645 /nfs/dbraw/zinc/78/26/45/804782645.db2.gz ODZFOMOSSLPDGJ-LBPRGKRZSA-N 1 1 293.754 3.365 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2ccc3onc(C)c3c2)no1 ZINC001247622093 804782760 /nfs/dbraw/zinc/78/27/60/804782760.db2.gz FSWCNFPDHMVNDK-LBPRGKRZSA-N 1 1 284.319 3.152 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2cc(F)cc(F)c2F)no1 ZINC001247622394 804783407 /nfs/dbraw/zinc/78/34/07/804783407.db2.gz LMHVXBFFCUVWOG-JTQLQIEISA-N 1 1 283.253 3.120 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)C1 ZINC001142912227 804783568 /nfs/dbraw/zinc/78/35/68/804783568.db2.gz YTGOQTDOVHNJGA-GFCCVEGCSA-N 1 1 253.349 3.271 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2ncccc2C(F)(F)F)no1 ZINC001247622156 804783538 /nfs/dbraw/zinc/78/35/38/804783538.db2.gz HHNCPPGSTPCHAN-SECBINFHSA-N 1 1 298.268 3.116 20 30 CGEDMO CCCCCCC[N@@H+](C)Cc1cc2c(cn1)OCCO2 ZINC001143064543 804798691 /nfs/dbraw/zinc/79/86/91/804798691.db2.gz ZSOGOMVPLHUCFZ-UHFFFAOYSA-N 1 1 278.396 3.255 20 30 CGEDMO COc1c(F)cc(F)cc1C[NH+]1CCC(CC#N)CC1 ZINC001143561452 804865311 /nfs/dbraw/zinc/86/53/11/804865311.db2.gz RTMLMLKIEQWVIL-UHFFFAOYSA-N 1 1 280.318 3.099 20 30 CGEDMO C#CC1CC[NH+](Cc2c(F)ccc(OCC)c2F)CC1 ZINC001143942896 804912527 /nfs/dbraw/zinc/91/25/27/804912527.db2.gz NUOBGALKSIKTHY-UHFFFAOYSA-N 1 1 279.330 3.209 20 30 CGEDMO CCOc1c(F)cc(C[NH+]2CCC(S)CC2)cc1F ZINC001144030640 804927956 /nfs/dbraw/zinc/92/79/56/804927956.db2.gz IFTHPMBYXVLAKC-UHFFFAOYSA-N 1 1 287.375 3.258 20 30 CGEDMO Cc1noc2ccc(C[N@H+]3CCC[C@@H](CC#N)C3)cc12 ZINC001248706426 804971860 /nfs/dbraw/zinc/97/18/60/804971860.db2.gz TXEAGBFZHPHQNI-ZDUSSCGKSA-N 1 1 269.348 3.262 20 30 CGEDMO CCCN(CCC[NH+](C)C)Cc1ccc(C#N)cc1CC ZINC001248752264 804983696 /nfs/dbraw/zinc/98/36/96/804983696.db2.gz DSZCTCUTRYWJCR-UHFFFAOYSA-N 1 1 287.451 3.284 20 30 CGEDMO CCC[N@H+](CCCN(C)C)Cc1ccc(C#N)cc1CC ZINC001248752264 804983702 /nfs/dbraw/zinc/98/37/02/804983702.db2.gz DSZCTCUTRYWJCR-UHFFFAOYSA-N 1 1 287.451 3.284 20 30 CGEDMO CCC[N@@H+](CCCN(C)C)Cc1ccc(C#N)cc1CC ZINC001248752264 804983707 /nfs/dbraw/zinc/98/37/07/804983707.db2.gz DSZCTCUTRYWJCR-UHFFFAOYSA-N 1 1 287.451 3.284 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](Cc2ccc(F)c3cc[nH]c32)C1 ZINC001248818423 805005416 /nfs/dbraw/zinc/00/54/16/805005416.db2.gz MBLLHBLXVRHFCR-OAHLLOKOSA-N 1 1 257.312 3.043 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](Cc2ccc(F)c3cc[nH]c32)C1 ZINC001248818423 805005426 /nfs/dbraw/zinc/00/54/26/805005426.db2.gz MBLLHBLXVRHFCR-OAHLLOKOSA-N 1 1 257.312 3.043 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1ccc2scnc2c1 ZINC001144739139 805048826 /nfs/dbraw/zinc/04/88/26/805048826.db2.gz VMMKRILYHFZZAM-UHFFFAOYSA-N 1 1 259.378 3.422 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1ccc2scnc2c1 ZINC001144739139 805048836 /nfs/dbraw/zinc/04/88/36/805048836.db2.gz VMMKRILYHFZZAM-UHFFFAOYSA-N 1 1 259.378 3.422 20 30 CGEDMO CC[N@@H+](Cc1cnn2ccc(C#N)cc12)C1CCCCC1 ZINC001249075451 805084157 /nfs/dbraw/zinc/08/41/57/805084157.db2.gz MNFOHGFJUMOQAF-UHFFFAOYSA-N 1 1 282.391 3.361 20 30 CGEDMO Cc1cccc(C[N@@H+](C)Cc2cnn3ccc(C#N)cc23)c1 ZINC001249082034 805085747 /nfs/dbraw/zinc/08/57/47/805085747.db2.gz FHJPYMNZYRYDDK-UHFFFAOYSA-N 1 1 290.370 3.146 20 30 CGEDMO CCC[C@H]1CCCC[N@H+]1Cc1cnn2ccc(C#N)cc12 ZINC001249107075 805091370 /nfs/dbraw/zinc/09/13/70/805091370.db2.gz QIPWUKPXWXFXGT-INIZCTEOSA-N 1 1 282.391 3.361 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001249259384 805121367 /nfs/dbraw/zinc/12/13/67/805121367.db2.gz VSZNGCAGXAYUFT-GOSISDBHSA-N 1 1 298.386 3.312 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001249259384 805121374 /nfs/dbraw/zinc/12/13/74/805121374.db2.gz VSZNGCAGXAYUFT-GOSISDBHSA-N 1 1 298.386 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC2(CN(C(=O)CCC[C@H](C)CCC)C2)C1 ZINC001147625046 805140452 /nfs/dbraw/zinc/14/04/52/805140452.db2.gz NHYHXLWXUSFSGZ-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO CC[C@H](C)c1nn(C)cc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC001249409542 805142181 /nfs/dbraw/zinc/14/21/81/805142181.db2.gz COUZHDXMCPBGIK-AWEZNQCLSA-N 1 1 296.418 3.437 20 30 CGEDMO CC[C@H](C)c1nn(C)cc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC001249409542 805142184 /nfs/dbraw/zinc/14/21/84/805142184.db2.gz COUZHDXMCPBGIK-AWEZNQCLSA-N 1 1 296.418 3.437 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cc3ccc(C#N)cc3[nH]2)C1 ZINC001249429010 805146426 /nfs/dbraw/zinc/14/64/26/805146426.db2.gz JUIGUPIBKUCWNB-CYBMUJFWSA-N 1 1 278.359 3.165 20 30 CGEDMO C[N@@H+](CCc1cccnc1)Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249429774 805148890 /nfs/dbraw/zinc/14/88/90/805148890.db2.gz PCBCEHSLZYVIIB-UHFFFAOYSA-N 1 1 290.370 3.109 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC2(C1)CC[N@H+](CCCCC)C2 ZINC001148126324 805163876 /nfs/dbraw/zinc/16/38/76/805163876.db2.gz XIKBRCYUEKLNFA-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)c1cscc1C ZINC001152611473 805357851 /nfs/dbraw/zinc/35/78/51/805357851.db2.gz CILDBPKYKHPEDH-CQSZACIVSA-N 1 1 294.464 3.463 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)C(F)=C1CCCC1 ZINC001152723688 805364759 /nfs/dbraw/zinc/36/47/59/805364759.db2.gz PJGXTZAVJHCHLI-CYBMUJFWSA-N 1 1 282.403 3.187 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)C(C)(C)C ZINC001154609326 805467383 /nfs/dbraw/zinc/46/73/83/805467383.db2.gz CQJJJZVBYVTKQJ-CQSZACIVSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CCc1cc(C)cnc1NCC[C@H]1CCC[N@H+](C)C1 ZINC001165260509 806982261 /nfs/dbraw/zinc/98/22/61/806982261.db2.gz HJEYNRNEJRCWEN-OAHLLOKOSA-N 1 1 273.424 3.262 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H](C)[N@@H+](CC)CCC1CC1 ZINC001155072395 805534969 /nfs/dbraw/zinc/53/49/69/805534969.db2.gz BIVIYYZOVUPCJZ-RHSMWYFYSA-N 1 1 280.456 3.215 20 30 CGEDMO N#CC1CCC([N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)CC1 ZINC001256963562 807016967 /nfs/dbraw/zinc/01/69/67/807016967.db2.gz IOKXSPYFPQWAPZ-KPFVRQRISA-N 1 1 254.324 3.046 20 30 CGEDMO N#CC1CCC([N@@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)CC1 ZINC001256971349 807020370 /nfs/dbraw/zinc/02/03/70/807020370.db2.gz OYVSVHWVUZYQCH-RJSVMHHESA-N 1 1 295.430 3.137 20 30 CGEDMO CCCC[N@@H+](CCC#N)C1CCC(CC(=O)OC)CC1 ZINC001256985892 807023841 /nfs/dbraw/zinc/02/38/41/807023841.db2.gz DSQDKDKGCDLKAM-UHFFFAOYSA-N 1 1 280.412 3.124 20 30 CGEDMO CC(C)n1ccc2c1nc[nH+]c2N1CCC[C@@H](CC#N)C1 ZINC001166741261 807089488 /nfs/dbraw/zinc/08/94/88/807089488.db2.gz LUZINHYQNGCSQK-ZDUSSCGKSA-N 1 1 283.379 3.142 20 30 CGEDMO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](C(CC)CC)C2 ZINC001257297738 807092975 /nfs/dbraw/zinc/09/29/75/807092975.db2.gz AZNGJDMMAVHBRT-HZPDHXFCSA-N 1 1 267.413 3.001 20 30 CGEDMO Cc1[nH+]c(N(C)Cc2ccsc2)ccc1CC#N ZINC001166829795 807107472 /nfs/dbraw/zinc/10/74/72/807107472.db2.gz VGWZSLHLQXGVSI-UHFFFAOYSA-N 1 1 257.362 3.154 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH2+][C@@H](CC)CCCC)C(=O)OCC ZINC001257412998 807143706 /nfs/dbraw/zinc/14/37/06/807143706.db2.gz QFQOSNNPLKBZPA-VNHYZAJKSA-N 1 1 253.386 3.053 20 30 CGEDMO N#Cc1ccnc(C[N@H+]2CCC[C@@H]2C2CCCC2)c1 ZINC001167123725 807155608 /nfs/dbraw/zinc/15/56/08/807155608.db2.gz WTISCSWYKSUGRK-MRXNPFEDSA-N 1 1 255.365 3.108 20 30 CGEDMO C=C1C[C@@H]2CC([NH2+][C@@H](C)C(=O)OC(C)C)C[C@H](C1)C2 ZINC001257887250 807238451 /nfs/dbraw/zinc/23/84/51/807238451.db2.gz YVCPWKSKFSCJMX-RDGKXADDSA-N 1 1 265.397 3.051 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CC[C@@H](C)[C@](C)(O)C3)C[C@H](C1)C2 ZINC001257891764 807241275 /nfs/dbraw/zinc/24/12/75/807241275.db2.gz OIFJPNGFHGOAAT-CTVHLWBWSA-N 1 1 263.425 3.214 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CC[C@@H](O)[C@@H](C)CC3)C[C@H](C1)C2 ZINC001257892337 807242389 /nfs/dbraw/zinc/24/23/89/807242389.db2.gz XARVMWGOTQQVFN-PQAIKRCPSA-N 1 1 263.425 3.214 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CC[C@H]4C[C@]43C(=O)OCC)C[C@H](C1)C2 ZINC001257892288 807242626 /nfs/dbraw/zinc/24/26/26/807242626.db2.gz WULYLPJDEVXHPO-MRVBUVOGSA-N 1 1 289.419 3.149 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCCC(=O)[C@@H](F)C3)C[C@H](C1)C2 ZINC001257892093 807242938 /nfs/dbraw/zinc/24/29/38/807242938.db2.gz SUUWJMHPMPROPN-IXXDHKBRSA-N 1 1 265.372 3.124 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CCCC(=O)[C@@H](F)C3)C[C@H](C1)C2 ZINC001257892093 807242943 /nfs/dbraw/zinc/24/29/43/807242943.db2.gz SUUWJMHPMPROPN-IXXDHKBRSA-N 1 1 265.372 3.124 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CCC[C@@H]3C(C)(C)O)C[C@H](C1)C2 ZINC001257894901 807243454 /nfs/dbraw/zinc/24/34/54/807243454.db2.gz BVMGUNXSZUKWOK-VFSICIBPSA-N 1 1 263.425 3.357 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+]([C@@H]2COc3ccc(Cl)cc3C2)C1 ZINC001257968217 807258775 /nfs/dbraw/zinc/25/87/75/807258775.db2.gz KASZNOPDVLYMRD-DOMZBBRYSA-N 1 1 290.794 3.269 20 30 CGEDMO N#CC[C@H]1CCC[N@H+]([C@@H]2COc3ccc(Cl)cc3C2)C1 ZINC001257968217 807258780 /nfs/dbraw/zinc/25/87/80/807258780.db2.gz KASZNOPDVLYMRD-DOMZBBRYSA-N 1 1 290.794 3.269 20 30 CGEDMO C#CC[N@H+]([C@@H]1CCc2ccccc21)[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167938206 807276699 /nfs/dbraw/zinc/27/66/99/807276699.db2.gz CNKRWAXLKNBTMO-KYHPRHEASA-N 1 1 251.373 3.408 20 30 CGEDMO CCCCCCC[C@H](C)[N@@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC001258050751 807277017 /nfs/dbraw/zinc/27/70/17/807277017.db2.gz XQNYVXJLZHHSTR-BYNSBNAKSA-N 1 1 267.413 3.086 20 30 CGEDMO CCC[C@@](C)(C#N)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167975744 807290534 /nfs/dbraw/zinc/29/05/34/807290534.db2.gz VIZFIDSCBYFTAH-HMQMGEFJSA-N 1 1 275.440 3.064 20 30 CGEDMO C[C@@H]1C[C@@H]([NH2+]CCCC#N)C[C@H](C)N1Cc1ccccc1 ZINC001168021536 807301149 /nfs/dbraw/zinc/30/11/49/807301149.db2.gz PUNWMOXNXCGFKC-ALXJQNPVSA-N 1 1 285.435 3.321 20 30 CGEDMO C=CCOC(=O)N[C@H]1CCC[N@H+]([C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC001258170268 807337402 /nfs/dbraw/zinc/33/74/02/807337402.db2.gz BRMIDLCIGMGAFO-XUWVNRHRSA-N 1 1 294.439 3.188 20 30 CGEDMO CCCCCCCCC[C@H](C)[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC001258228685 807376383 /nfs/dbraw/zinc/37/63/83/807376383.db2.gz JNHUDOQXCCPDQM-BBWFWOEESA-N 1 1 285.472 3.191 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@H]1CCc2cc(F)ccc2C1 ZINC001168438052 807413844 /nfs/dbraw/zinc/41/38/44/807413844.db2.gz LJTRNFXQJPUXID-INIZCTEOSA-N 1 1 260.356 3.309 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](C2CCN(c3ccccc3)CC2)C1 ZINC001258514442 807482591 /nfs/dbraw/zinc/48/25/91/807482591.db2.gz JOZZXZPGZVRSBD-INIZCTEOSA-N 1 1 283.419 3.281 20 30 CGEDMO C=CCCCC[N@H+](C)C1CCC(C)(C(=O)OC)CC1 ZINC001168789933 807513844 /nfs/dbraw/zinc/51/38/44/807513844.db2.gz RPYYZDZJOQQJIH-UHFFFAOYSA-N 1 1 267.413 3.396 20 30 CGEDMO C[C@H](Cc1cccnc1)[N@H+](CCC#N)Cc1ccccc1 ZINC001258621208 807514419 /nfs/dbraw/zinc/51/44/19/807514419.db2.gz YQYAAABMHGPGBI-MRXNPFEDSA-N 1 1 279.387 3.428 20 30 CGEDMO C[C@H](Cc1cccnc1)[N@@H+](CCC#N)Cc1ccccc1 ZINC001258621208 807514425 /nfs/dbraw/zinc/51/44/25/807514425.db2.gz YQYAAABMHGPGBI-MRXNPFEDSA-N 1 1 279.387 3.428 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](OC(=O)OC(C)(C)C)C1 ZINC001258726523 807574634 /nfs/dbraw/zinc/57/46/34/807574634.db2.gz UAVFRSVYIXUBNV-STQMWFEESA-N 1 1 269.385 3.367 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CCc2ncnc(OC(C)C)c2CC1 ZINC001258727151 807575048 /nfs/dbraw/zinc/57/50/48/807575048.db2.gz FQWUOLSVUSPDCY-CQSZACIVSA-N 1 1 289.423 3.019 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]2O[C@H](c3nc(C)no3)CC[C@H]21 ZINC001258728978 807576482 /nfs/dbraw/zinc/57/64/82/807576482.db2.gz SAEHTIWGSGAXPL-NGFQHRJXSA-N 1 1 291.395 3.027 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@]2(CCN2C(=O)OC(C)(C)C)C1 ZINC001258729926 807576761 /nfs/dbraw/zinc/57/67/61/807576761.db2.gz ZEARHZFRHQMVHB-RHSMWYFYSA-N 1 1 294.439 3.426 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC001258735768 807581695 /nfs/dbraw/zinc/58/16/95/807581695.db2.gz BLCBWVSVVAWLPJ-OIISXLGYSA-N 1 1 287.403 3.230 20 30 CGEDMO CC(C)C1CCC([N@H+]2CCC3SC(=O)C=C3C2)CC1 ZINC001258802911 807623973 /nfs/dbraw/zinc/62/39/73/807623973.db2.gz FSIJLHHKMCACLT-ZALBZXLWSA-N 1 1 279.449 3.475 20 30 CGEDMO C=CCC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C1 ZINC001169306574 807625781 /nfs/dbraw/zinc/62/57/81/807625781.db2.gz FTRNKMJVBDOKFZ-CQSZACIVSA-N 1 1 282.428 3.140 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@H](C)Cc1ccccc1OC ZINC001258891697 807665596 /nfs/dbraw/zinc/66/55/96/807665596.db2.gz CGRRMVXNQYMQLY-CQSZACIVSA-N 1 1 260.381 3.252 20 30 CGEDMO C=CCOC[C@H]1CCC[C@@]12C[N@@H+]([C@@H]1CC[C@@H](C)C1)CCO2 ZINC001170145010 807774963 /nfs/dbraw/zinc/77/49/63/807774963.db2.gz REFUFRLTJFANFJ-BRSBDYLESA-N 1 1 293.451 3.249 20 30 CGEDMO COc1ccc(C[C@@H](C)[N@@H+](C)Cc2cccc(C#N)n2)cc1 ZINC001262007642 807804785 /nfs/dbraw/zinc/80/47/85/807804785.db2.gz MMUQABRALRKSIF-CQSZACIVSA-N 1 1 295.386 3.025 20 30 CGEDMO C[N@H+]1CC[C@@H](c2ccc(NCC(C)(C)S)cc2)C1 ZINC001170309081 807824475 /nfs/dbraw/zinc/82/44/75/807824475.db2.gz MOOXBYNNBUKDDN-CYBMUJFWSA-N 1 1 264.438 3.226 20 30 CGEDMO C[N@@H+](CCF)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170402703 807835492 /nfs/dbraw/zinc/83/54/92/807835492.db2.gz AFADUIMBBJUNDF-UHFFFAOYSA-N 1 1 260.356 3.292 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@H]1C[C@@]1(C)Br ZINC001262355457 807853144 /nfs/dbraw/zinc/85/31/44/807853144.db2.gz VHRPSFVZCLJHJR-ZIAGYGMSSA-N 1 1 293.208 3.164 20 30 CGEDMO N#C[C@H]1CCC[N@H+]([C@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170701604 807878601 /nfs/dbraw/zinc/87/86/01/807878601.db2.gz QSWMPIAHGFBVSZ-WFASDCNBSA-N 1 1 290.357 3.448 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170706663 807880136 /nfs/dbraw/zinc/88/01/36/807880136.db2.gz JLWGZMLQSBNMQV-IUODEOHRSA-N 1 1 275.342 3.167 20 30 CGEDMO C[C@H](Nc1cnccc1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001262689723 807896830 /nfs/dbraw/zinc/89/68/30/807896830.db2.gz IGXXVLVUVSQMGW-DZGCQCFKSA-N 1 1 284.407 3.018 20 30 CGEDMO Cc1cc(C(F)(F)F)cc(NCCCS)[nH+]1 ZINC001170999666 807955232 /nfs/dbraw/zinc/95/52/32/807955232.db2.gz LKWIZOZZRMSJPH-UHFFFAOYSA-N 1 1 250.289 3.141 20 30 CGEDMO Cc1c[nH]c2nc(N[C@@H]3CCc4c3cccc4C#N)[nH+]cc12 ZINC001171061120 807977861 /nfs/dbraw/zinc/97/78/61/807977861.db2.gz OCKINOIKFQBMMD-OAHLLOKOSA-N 1 1 289.342 3.189 20 30 CGEDMO C#CC[N@H+](C)[C@@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171082249 807980383 /nfs/dbraw/zinc/98/03/83/807980383.db2.gz JFZNMWBGQJKTLY-GFCCVEGCSA-N 1 1 268.187 3.416 20 30 CGEDMO CCC[NH+](CCC)CCN[C@@H](C)Cc1cccc(C#N)c1 ZINC001171179227 808001084 /nfs/dbraw/zinc/00/10/84/808001084.db2.gz PGXXGZPOCMYHHS-INIZCTEOSA-N 1 1 287.451 3.201 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CCCC1(F)F ZINC001171193686 808005012 /nfs/dbraw/zinc/00/50/12/808005012.db2.gz YEGXTAQVVJKTPQ-BXUZGUMPSA-N 1 1 264.319 3.267 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC001171221233 808011263 /nfs/dbraw/zinc/01/12/63/808011263.db2.gz JHNGTTMPWTXLMX-HNAYVOBHSA-N 1 1 291.398 3.374 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C(CC)CC ZINC001264030968 808030308 /nfs/dbraw/zinc/03/03/08/808030308.db2.gz ZJSJHZHJXNSRFL-OWCLPIDISA-N 1 1 292.467 3.214 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@@H+](CCC2CC2)[C@@H]1CC ZINC001264061610 808033097 /nfs/dbraw/zinc/03/30/97/808033097.db2.gz FIWOXCPJIFIRPD-JKSUJKDBSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCOc1ccccc1[C@H](C)Nc1cc[nH+]c(N(C)C)n1 ZINC001171368430 808037316 /nfs/dbraw/zinc/03/73/16/808037316.db2.gz FFOQFIMZISGPJX-ZDUSSCGKSA-N 1 1 298.390 3.281 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[N@@H+](CCF)CC(C)(C)C1 ZINC001264195254 808047258 /nfs/dbraw/zinc/04/72/58/808047258.db2.gz OZSZLRRKQIPUGE-AWEZNQCLSA-N 1 1 298.446 3.165 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+]([C@H]2CCc3c(F)cccc3C2)C1 ZINC001171437687 808056410 /nfs/dbraw/zinc/05/64/10/808056410.db2.gz LYWNWGYENACUIM-ZFWWWQNUSA-N 1 1 272.367 3.309 20 30 CGEDMO N#CC[C@H]1CCC[N@H+]([C@H]2CCc3c(F)cccc3C2)C1 ZINC001171437685 808057414 /nfs/dbraw/zinc/05/74/14/808057414.db2.gz LYWNWGYENACUIM-HIFRSBDPSA-N 1 1 272.367 3.309 20 30 CGEDMO CC#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1CCC(C)(C)C ZINC001264369467 808060953 /nfs/dbraw/zinc/06/09/53/808060953.db2.gz WZQWJJMPNIUCOH-INIZCTEOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1CCC(C)(C)C ZINC001264371407 808061069 /nfs/dbraw/zinc/06/10/69/808061069.db2.gz VKBLUALQGCGREZ-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCCCC1 ZINC001264369503 808061361 /nfs/dbraw/zinc/06/13/61/808061361.db2.gz XWRAHKAZUSWZQI-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N(C)C[C@H]1CC[N@@H+]1CC/C=C\CC ZINC001264370957 808061693 /nfs/dbraw/zinc/06/16/93/808061693.db2.gz MYPIXOUZKOMKNI-KABQWYEXSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)CC(C)C)C[C@@H]2C1 ZINC001264654689 808083340 /nfs/dbraw/zinc/08/33/40/808083340.db2.gz WDCAEKWKCKHUPC-BBWFWOEESA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCCNC(=O)C1(C2CCC2)CCC1 ZINC001265016779 808103157 /nfs/dbraw/zinc/10/31/57/808103157.db2.gz JEFIFKGUZAMYEL-UHFFFAOYSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)C[N@@H+](C)CCCNC(=O)CC1CCCCCC1 ZINC001265041039 808104279 /nfs/dbraw/zinc/10/42/79/808104279.db2.gz LBHSXJKRCCBQDE-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C=C(C)C[N@H+](C)CCCNC(=O)c1cc(C)c(CC)s1 ZINC001265066410 808107511 /nfs/dbraw/zinc/10/75/11/808107511.db2.gz ORJPEROLPNZJNC-UHFFFAOYSA-N 1 1 294.464 3.247 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)C[C@H]1CC[C@@H](C)C1 ZINC001265127661 808110791 /nfs/dbraw/zinc/11/07/91/808110791.db2.gz GVVNROBWJJAUSX-CVEARBPZSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)CCCNC(=O)[C@@H](C)C1CCC1 ZINC001265119671 808110844 /nfs/dbraw/zinc/11/08/44/808110844.db2.gz NBQJTNQPMSMUTD-ZDUSSCGKSA-N 1 1 286.847 3.003 20 30 CGEDMO C=C(C)C[N@@H+](CCCNC(=O)[C@H]1CCC(C)(C)C1)C1CC1 ZINC001265175019 808115598 /nfs/dbraw/zinc/11/55/98/808115598.db2.gz RGTNDTYRBZJEJF-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2ccoc2Cl)C1 ZINC001265281069 808125092 /nfs/dbraw/zinc/12/50/92/808125092.db2.gz HZJYCGVDRWWPLZ-NEPJUHHUSA-N 1 1 296.798 3.092 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC2(C)C)C1 ZINC001265278533 808125238 /nfs/dbraw/zinc/12/52/38/808125238.db2.gz HRINKNWVRNFDCR-HUUCEWRRSA-N 1 1 280.456 3.193 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](CCCCCC)C2)C1 ZINC001265303055 808128936 /nfs/dbraw/zinc/12/89/36/808128936.db2.gz AOQMAZXIOPLAGC-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)CCC(C)C)C1 ZINC001265384988 808137199 /nfs/dbraw/zinc/13/71/99/808137199.db2.gz TZTRPPWBXMFVNX-INIZCTEOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001265394506 808138786 /nfs/dbraw/zinc/13/87/86/808138786.db2.gz CVISNLSRLOOMGK-HOTGVXAUSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@@H](C[N@H+](C)CC(=C)C)C1 ZINC001265396606 808140134 /nfs/dbraw/zinc/14/01/34/808140134.db2.gz HEZKDEDYYFOFII-INIZCTEOSA-N 1 1 292.467 3.335 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC001171798395 808143421 /nfs/dbraw/zinc/14/34/21/808143421.db2.gz DSBNKZPIACVKLD-OAHLLOKOSA-N 1 1 282.428 3.264 20 30 CGEDMO COc1nscc1C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC001171911479 808152896 /nfs/dbraw/zinc/15/28/96/808152896.db2.gz NVNRTAPFTXAKPM-UHFFFAOYSA-N 1 1 287.388 3.048 20 30 CGEDMO CCC[N@@H+](CCC#N)C1CCC(C)(C(=O)OCC)CC1 ZINC001171955495 808159096 /nfs/dbraw/zinc/15/90/96/808159096.db2.gz LLVVVVUAVOTTKV-UHFFFAOYSA-N 1 1 280.412 3.124 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(F)=C1CCCC1 ZINC001265643994 808163087 /nfs/dbraw/zinc/16/30/87/808163087.db2.gz YPNNRZYKSNLEKB-OAHLLOKOSA-N 1 1 294.414 3.331 20 30 CGEDMO CCCCCCCC[N@@H+](C)[C@H]1CCN(CC)C(=O)C1 ZINC001172043982 808168532 /nfs/dbraw/zinc/16/85/32/808168532.db2.gz RIEJRQQQDIZUTG-HNNXBMFYSA-N 1 1 268.445 3.290 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2(CC)CCC2)C1 ZINC001265704828 808172015 /nfs/dbraw/zinc/17/20/15/808172015.db2.gz ALQTVXGAGDWSBF-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N(CCC#N)C1CCCC1)C2 ZINC001172120085 808182103 /nfs/dbraw/zinc/18/21/03/808182103.db2.gz CDUMUYAAQBLGRU-BJWYYQGGSA-N 1 1 275.440 3.160 20 30 CGEDMO CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+](CCC#N)C1CCCC1)C2 ZINC001172120085 808182105 /nfs/dbraw/zinc/18/21/05/808182105.db2.gz CDUMUYAAQBLGRU-BJWYYQGGSA-N 1 1 275.440 3.160 20 30 CGEDMO CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+](CCC#N)C1CCCC1)C2 ZINC001172120085 808182109 /nfs/dbraw/zinc/18/21/09/808182109.db2.gz CDUMUYAAQBLGRU-BJWYYQGGSA-N 1 1 275.440 3.160 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCNC(=O)[C@@H](C)c1ccsc1 ZINC001265921588 808193302 /nfs/dbraw/zinc/19/33/02/808193302.db2.gz QQXYXFPOBUJDSF-AWEZNQCLSA-N 1 1 294.464 3.256 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCCNC(=O)Cc1ccsc1C ZINC001265935614 808194377 /nfs/dbraw/zinc/19/43/77/808194377.db2.gz SRHIJUMGBIVYLB-UHFFFAOYSA-N 1 1 294.464 3.003 20 30 CGEDMO C=CCCC[N@@H+](C)CCCNC(=O)c1ccc(C)cc1 ZINC001265959070 808196945 /nfs/dbraw/zinc/19/69/45/808196945.db2.gz NKFNOKOGGDKZBE-UHFFFAOYSA-N 1 1 274.408 3.013 20 30 CGEDMO N#C[C@@H]1CCC[N@H+]([C@@H]2CSc3ccccc3C2)CC1 ZINC001172206768 808198979 /nfs/dbraw/zinc/19/89/79/808198979.db2.gz ULALJURSVZSBAW-HIFRSBDPSA-N 1 1 272.417 3.329 20 30 CGEDMO CC#CC[N@H+](CC)CCCNC(=O)[C@]1(C)CCC[C@H]1CC ZINC001266054097 808205165 /nfs/dbraw/zinc/20/51/65/808205165.db2.gz HXOMUMNUACEWPI-SJLPKXTDSA-N 1 1 292.467 3.054 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]([N@H+](C)C[C@@H](C)CC)C1 ZINC001266102458 808210736 /nfs/dbraw/zinc/21/07/36/808210736.db2.gz KOBUIWFFZUSDNT-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)C(CCC)CCC)C1 ZINC001266107812 808213523 /nfs/dbraw/zinc/21/35/23/808213523.db2.gz JYVNWDBGIHCGHD-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO Cc1noc([C@@H]2CCC[N@@H+]2[C@H](C)Cc2ccc(C#N)cc2)n1 ZINC001172311770 808222964 /nfs/dbraw/zinc/22/29/64/808222964.db2.gz XRPCYMBOUIFJRB-WBMJQRKESA-N 1 1 296.374 3.018 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC(=O)[C@H]2CCCC[C@@H]21 ZINC001172308676 808223569 /nfs/dbraw/zinc/22/35/69/808223569.db2.gz LUQVWQMTRYFCMX-JLSDUUJJSA-N 1 1 296.414 3.323 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H]1c1cnccn1 ZINC001172318601 808228243 /nfs/dbraw/zinc/22/82/43/808228243.db2.gz HMQZOEGOTCZDNQ-KSSFIOAISA-N 1 1 292.386 3.116 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)CCc1cccnc1 ZINC001172319124 808229325 /nfs/dbraw/zinc/22/93/25/808229325.db2.gz LOWHGGHDDWSXQM-HNNXBMFYSA-N 1 1 279.387 3.059 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC001172319130 808229354 /nfs/dbraw/zinc/22/93/54/808229354.db2.gz LTIHUQPAXIFHDS-RISCZKNCSA-N 1 1 282.309 3.373 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1CCCNC(=O)C1CCC(=C)CC1 ZINC001266231298 808230266 /nfs/dbraw/zinc/23/02/66/808230266.db2.gz FSGWRDSZUHMHSF-QGZVFWFLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)C1CCC(=C)CC1 ZINC001266231297 808230816 /nfs/dbraw/zinc/23/08/16/808230816.db2.gz FSGWRDSZUHMHSF-KRWDZBQOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CCC)C(C)C)C1 ZINC001266239266 808231651 /nfs/dbraw/zinc/23/16/51/808231651.db2.gz AMHDBUSFASWAPK-HOTGVXAUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)C2(C)CC=CC2)C1 ZINC001266236689 808232049 /nfs/dbraw/zinc/23/20/49/808232049.db2.gz MTNVIPWHNAHMMS-HZPDHXFCSA-N 1 1 290.451 3.278 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001266246930 808233899 /nfs/dbraw/zinc/23/38/99/808233899.db2.gz YUWQSEQYMHKRJT-HOTGVXAUSA-N 1 1 292.467 3.053 20 30 CGEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001266246930 808233905 /nfs/dbraw/zinc/23/39/05/808233905.db2.gz YUWQSEQYMHKRJT-HOTGVXAUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[N@H+](C)[C@H](C)c1ccccc1 ZINC001266309272 808240539 /nfs/dbraw/zinc/24/05/39/808240539.db2.gz RZTKBUBFUJZIFL-CQSZACIVSA-N 1 1 274.408 3.008 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)c2sc(C)cc2C)C1 ZINC001266322060 808242205 /nfs/dbraw/zinc/24/22/05/808242205.db2.gz ZUDIGZPHSNXWFC-AWEZNQCLSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CCC(C)(C)C(=O)NCC[N@H+](C)CC1=CCCCC1 ZINC001266329613 808243030 /nfs/dbraw/zinc/24/30/30/808243030.db2.gz BFPABXXUZKIAHH-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001266336478 808244682 /nfs/dbraw/zinc/24/46/82/808244682.db2.gz QFERROWKVZFBDD-RDJZCZTQSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001266336479 808245549 /nfs/dbraw/zinc/24/55/49/808245549.db2.gz QFERROWKVZFBDD-WBVHZDCISA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2c(C)cccc2C)C1 ZINC001266345220 808247084 /nfs/dbraw/zinc/24/70/84/808247084.db2.gz PYMBREIKWKSIEC-MRXNPFEDSA-N 1 1 286.419 3.074 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC001172356596 808252615 /nfs/dbraw/zinc/25/26/15/808252615.db2.gz XWGUHFDMHSACBY-HZPDHXFCSA-N 1 1 280.456 3.432 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC001172356566 808252639 /nfs/dbraw/zinc/25/26/39/808252639.db2.gz WZSFTIZTZFKGQG-HUUCEWRRSA-N 1 1 289.485 3.244 20 30 CGEDMO CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)CCCC(C)C)C1 ZINC001266469285 808271432 /nfs/dbraw/zinc/27/14/32/808271432.db2.gz ITTYBAXRGPDJCE-QGZVFWFLSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)c1ccsc1 ZINC001266482666 808274456 /nfs/dbraw/zinc/27/44/56/808274456.db2.gz GHAYQAARQBPIDF-ZFWWWQNUSA-N 1 1 292.448 3.008 20 30 CGEDMO C=C(Cl)C[N@H+](CCC)CCNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001266573049 808288845 /nfs/dbraw/zinc/28/88/45/808288845.db2.gz GUUMHCWXIKBYIV-LSDHHAIUSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+](CCC)CCNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001266573049 808288852 /nfs/dbraw/zinc/28/88/52/808288852.db2.gz GUUMHCWXIKBYIV-LSDHHAIUSA-N 1 1 298.858 3.003 20 30 CGEDMO C=CC[N@H+](CCNC(=O)c1ccc(CCC)s1)C1CC1 ZINC001266594520 808293312 /nfs/dbraw/zinc/29/33/12/808293312.db2.gz MDTCFUHEWIGUNU-UHFFFAOYSA-N 1 1 292.448 3.081 20 30 CGEDMO C=CCC1(C(=O)NCC[N@@H+](C/C=C/Cl)C2CC2)CCC1 ZINC001266609542 808294401 /nfs/dbraw/zinc/29/44/01/808294401.db2.gz QIJWPPRROPKIAE-ONNFQVAWSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CCC1(C(=O)NCC[N@H+](C/C=C/Cl)C2CC2)CCC1 ZINC001266609542 808294408 /nfs/dbraw/zinc/29/44/08/808294408.db2.gz QIJWPPRROPKIAE-ONNFQVAWSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](CCC(=C)C)C1 ZINC001266763782 808313394 /nfs/dbraw/zinc/31/33/94/808313394.db2.gz HXCINDHBZHQQQQ-INIZCTEOSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@@H]1CCCC[N@@H+]1C/C=C\Cl ZINC001266853799 808326264 /nfs/dbraw/zinc/32/62/64/808326264.db2.gz UBERCGJYQLPYDO-MJYKILKPSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@@H]1CCCC[N@H+]1C/C=C\Cl ZINC001266853799 808326272 /nfs/dbraw/zinc/32/62/72/808326272.db2.gz UBERCGJYQLPYDO-MJYKILKPSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)CC[C@@H](C)CC ZINC001266855656 808326382 /nfs/dbraw/zinc/32/63/82/808326382.db2.gz DSORMSOCFYBEKB-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001172496830 808354315 /nfs/dbraw/zinc/35/43/15/808354315.db2.gz RUOJXHPPXAYMKK-KGLIPLIRSA-N 1 1 295.427 3.010 20 30 CGEDMO C[C@H](CCCC#N)[NH+]1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC001172499787 808356077 /nfs/dbraw/zinc/35/60/77/808356077.db2.gz ADGFXEQADMWAPD-BHIYHBOVSA-N 1 1 297.446 3.133 20 30 CGEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)CCCC[C@H](C)CC)C1 ZINC001267104053 808357159 /nfs/dbraw/zinc/35/71/59/808357159.db2.gz LBOBUSTZXLOPPP-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)CC[C@H](C)F)C1 ZINC001267111322 808360212 /nfs/dbraw/zinc/36/02/12/808360212.db2.gz HZOCZOXEPBYADM-LSDHHAIUSA-N 1 1 298.446 3.260 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCCC[C@H]1CN1CCCC1 ZINC001172504268 808360400 /nfs/dbraw/zinc/36/04/00/808360400.db2.gz FRMNVCNYKZXAFQ-CVEARBPZSA-N 1 1 263.429 3.019 20 30 CGEDMO C[C@H](CCCC#N)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC001172504268 808360412 /nfs/dbraw/zinc/36/04/12/808360412.db2.gz FRMNVCNYKZXAFQ-CVEARBPZSA-N 1 1 263.429 3.019 20 30 CGEDMO C[C@H](CCCC#N)[N@@H+](C1CCCC1)C1CCN(C)CC1 ZINC001172506503 808361582 /nfs/dbraw/zinc/36/15/82/808361582.db2.gz VFKZXMHJUPWBHI-OAHLLOKOSA-N 1 1 277.456 3.408 20 30 CGEDMO C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)CC(C)C)C1 ZINC001267113291 808361778 /nfs/dbraw/zinc/36/17/78/808361778.db2.gz HRBKFIWFNFWNAW-MRXNPFEDSA-N 1 1 292.467 3.005 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCN(C)[C@@H](c2ccccc2)C1 ZINC001172507125 808364191 /nfs/dbraw/zinc/36/41/91/808364191.db2.gz PMGXLPBDOFSLJW-NVXWUHKLSA-N 1 1 271.408 3.057 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001172508436 808364861 /nfs/dbraw/zinc/36/48/61/808364861.db2.gz CZHXQAGXTGIRRR-BXKDBHETSA-N 1 1 286.301 3.425 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NCC[N@@H+](C)CCC(C)(C)C ZINC001267211472 808380628 /nfs/dbraw/zinc/38/06/28/808380628.db2.gz RAAPNMHBTWPODT-AWEZNQCLSA-N 1 1 268.445 3.073 20 30 CGEDMO C=CC[N@H+](C)CCNC(=O)C[C@H](CC)c1ccc(C)cc1 ZINC001267216725 808382662 /nfs/dbraw/zinc/38/26/62/808382662.db2.gz YUKFERJVTVAXRS-INIZCTEOSA-N 1 1 288.435 3.113 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCC[N@@H+](C)Cc1cccc(C)c1 ZINC001267215940 808383179 /nfs/dbraw/zinc/38/31/79/808383179.db2.gz RLCXSMUUXOKWAZ-SFHVURJKSA-N 1 1 288.435 3.145 20 30 CGEDMO C=CCCCC(=O)NCC[N@H+](C)[C@@H](C)c1cccc(F)c1 ZINC001267214408 808383761 /nfs/dbraw/zinc/38/37/61/808383761.db2.gz WURIUCPLLKEOJS-AWEZNQCLSA-N 1 1 292.398 3.291 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)c1ccsc1Cl ZINC001267219935 808387176 /nfs/dbraw/zinc/38/71/76/808387176.db2.gz CHEGYUUPVJMYQH-UHFFFAOYSA-N 1 1 286.828 3.029 20 30 CGEDMO C=CCC[N@H+](CC)CCNC(=O)[C@@H]1CCCC[C@@H]1CC ZINC001267253493 808397841 /nfs/dbraw/zinc/39/78/41/808397841.db2.gz MWFOVKOJOYOFNE-JKSUJKDBSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCCC[N@H+](C)[C@@H]1CCC[C@H](C(=O)OC)C1 ZINC001172625678 808405363 /nfs/dbraw/zinc/40/53/63/808405363.db2.gz XDFOUCMLQQOZMN-UONOGXRCSA-N 1 1 253.386 3.006 20 30 CGEDMO C=C(C)CC[N@@H+](CCC)CCNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001267314406 808411384 /nfs/dbraw/zinc/41/13/84/808411384.db2.gz HZVMXVUBPPBKOS-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)C1(F)CCCCC1)C(C)C ZINC001267334261 808417972 /nfs/dbraw/zinc/41/79/72/808417972.db2.gz DBERQZLIOPELSB-UHFFFAOYSA-N 1 1 284.419 3.062 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H](C)CC)C1 ZINC001267539893 808442724 /nfs/dbraw/zinc/44/27/24/808442724.db2.gz VKLZWVLZFZOKSU-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cscc2C)C1 ZINC001267580326 808450943 /nfs/dbraw/zinc/45/09/43/808450943.db2.gz UTXNPTWNIBMZGH-CQSZACIVSA-N 1 1 292.448 3.027 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](CCC)C(C)C)C1 ZINC001267589265 808453098 /nfs/dbraw/zinc/45/30/98/808453098.db2.gz IJZWBWZYEGTZPA-DLBZAZTESA-N 1 1 294.483 3.415 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H](C[N@@H+](C)CCC2CC2)C1 ZINC001267587137 808454059 /nfs/dbraw/zinc/45/40/59/808454059.db2.gz HIGMVJVUZUMFBI-INIZCTEOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+](C)CC1CCN(C(=O)C(CC)CC)CC1 ZINC001267597989 808455848 /nfs/dbraw/zinc/45/58/48/808455848.db2.gz PDEBCPNTUZNKJG-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)CCC(C)C)C1 ZINC001267611270 808456402 /nfs/dbraw/zinc/45/64/02/808456402.db2.gz MRSJUNGICPXAHG-HZPDHXFCSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2ccc(C)o2)C1 ZINC001267609448 808456552 /nfs/dbraw/zinc/45/65/52/808456552.db2.gz BRRMGDMHRAWBKB-DZGCQCFKSA-N 1 1 290.407 3.137 20 30 CGEDMO C#CC[N@H+](C)CC1CCN(C(=O)C(CC)(CC)CC)CC1 ZINC001267602866 808456752 /nfs/dbraw/zinc/45/67/52/808456752.db2.gz MLEJHNRYSQSSPN-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2occc2Cl)C1 ZINC001267616827 808458430 /nfs/dbraw/zinc/45/84/30/808458430.db2.gz DIIQIHZOMNIRJO-GFCCVEGCSA-N 1 1 296.798 3.093 20 30 CGEDMO CC#CCCCC(=O)N[C@@H]1CCC[N@H+](CC/C=C/CC)C1 ZINC001267617412 808458797 /nfs/dbraw/zinc/45/87/97/808458797.db2.gz HEAQAIRQHRFWQW-DBWMJRBXSA-N 1 1 290.451 3.117 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001267633927 808462273 /nfs/dbraw/zinc/46/22/73/808462273.db2.gz VHKDZZLXOVEMPA-CVEARBPZSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCN(C(=O)C(CCC)CCC)C1 ZINC001267684219 808470428 /nfs/dbraw/zinc/47/04/28/808470428.db2.gz NMWJJXVACDUIEQ-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1C ZINC001267701084 808472921 /nfs/dbraw/zinc/47/29/21/808472921.db2.gz WDSICISUXZCOIA-ULQDDVLXSA-N 1 1 298.430 3.248 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)C2CC2)C1 ZINC001267770747 808488621 /nfs/dbraw/zinc/48/86/21/808488621.db2.gz QWJWRBCQWITASQ-GDBMZVCRSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)CC2(C)CCCC2)C1 ZINC001267785889 808492579 /nfs/dbraw/zinc/49/25/79/808492579.db2.gz XJTOIILTJSLMNO-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO CC#CCCCC(=O)N(CC)[C@@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001267790821 808493924 /nfs/dbraw/zinc/49/39/24/808493924.db2.gz MQRSVDGQHKLPTQ-QGZVFWFLSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)CCCCC(C)C)C1 ZINC001267789422 808494453 /nfs/dbraw/zinc/49/44/53/808494453.db2.gz FKLVRHVPZKLVPL-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)C[C@H](C)CC(C)C)C1 ZINC001267790665 808494500 /nfs/dbraw/zinc/49/45/00/808494500.db2.gz RKFHXURLEVRMQG-IAGOWNOFSA-N 1 1 292.467 3.005 20 30 CGEDMO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@@H](C#N)C1 ZINC001173088958 808503982 /nfs/dbraw/zinc/50/39/82/808503982.db2.gz SEXOORJPNOBYNX-AAEUAGOBSA-N 1 1 298.308 3.362 20 30 CGEDMO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@H](C#N)C1 ZINC001173088958 808503986 /nfs/dbraw/zinc/50/39/86/808503986.db2.gz SEXOORJPNOBYNX-AAEUAGOBSA-N 1 1 298.308 3.362 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CCC[N@H+](CCC(C)C)C1 ZINC001268224123 808560789 /nfs/dbraw/zinc/56/07/89/808560789.db2.gz FVMZXPSABLJTJD-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)/C=C(/C)C1CC1 ZINC001268232654 808563267 /nfs/dbraw/zinc/56/32/67/808563267.db2.gz KZQQOIFXQZLLJQ-SEWDUPMJSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)c1ccc(C)c(F)c1 ZINC001268241965 808565436 /nfs/dbraw/zinc/56/54/36/808565436.db2.gz GCYXIRKUOKNFBQ-UHFFFAOYSA-N 1 1 292.398 3.104 20 30 CGEDMO C=CC[N@H+](C)CCN(C)C(=O)[C@H](CC)C1CCC(C)CC1 ZINC001268238669 808566523 /nfs/dbraw/zinc/56/65/23/808566523.db2.gz JHYAVMPEICMNCK-OFLPRAFFSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCCCCC[NH+]1CC(NC(=O)c2ccc(Cl)o2)C1 ZINC001268246641 808567208 /nfs/dbraw/zinc/56/72/08/808567208.db2.gz YTNCSRAXILUAIR-UHFFFAOYSA-N 1 1 296.798 3.093 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)C[C@H](CC)C(C)(C)C ZINC001268254974 808569169 /nfs/dbraw/zinc/56/91/69/808569169.db2.gz JOSAHCMSSKRXKD-HNNXBMFYSA-N 1 1 282.472 3.415 20 30 CGEDMO C=CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CC[C@H](CC)C1 ZINC001173268341 808572417 /nfs/dbraw/zinc/57/24/17/808572417.db2.gz WKLFQRBSAAJPKT-ZNMIVQPWSA-N 1 1 267.413 3.299 20 30 CGEDMO CCSC[C@H](C)[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001173299377 808599097 /nfs/dbraw/zinc/59/90/97/808599097.db2.gz GEWSZWYZJRQYOI-LBPRGKRZSA-N 1 1 260.406 3.058 20 30 CGEDMO C=CCOC1CCC([NH2+][C@@H]2CCN(C(C)C)C[C@H]2C)CC1 ZINC001173319579 808610320 /nfs/dbraw/zinc/61/03/20/808610320.db2.gz NCNRPMFNWITSBW-AQEOSJORSA-N 1 1 294.483 3.209 20 30 CGEDMO C=CCOC1CCC([N@@H+]2CCCOC(C)(C)C2)CC1 ZINC001173327299 808612861 /nfs/dbraw/zinc/61/28/61/808612861.db2.gz LSSKWCCTDBDOTC-UHFFFAOYSA-N 1 1 267.413 3.001 20 30 CGEDMO C=CCOC1CCC([N@@H+](C)CCc2ccncc2)CC1 ZINC001173327078 808613197 /nfs/dbraw/zinc/61/31/97/808613197.db2.gz DPSFGRPMGIFFPQ-UHFFFAOYSA-N 1 1 274.408 3.070 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@H](C)NC(=O)c1ccc(C)s1 ZINC001268719122 808614556 /nfs/dbraw/zinc/61/45/56/808614556.db2.gz GTZRLDNTKUFVLR-STQMWFEESA-N 1 1 294.464 3.461 20 30 CGEDMO N#CCC1CCC([N@H+]2CCc3ccc(C#N)cc3C2)CC1 ZINC001173332225 808615816 /nfs/dbraw/zinc/61/58/16/808615816.db2.gz XSFANWOCMAUBFN-UHFFFAOYSA-N 1 1 279.387 3.389 20 30 CGEDMO N#CCC1CCC([NH+]2CCN(C3CCCCC3)CC2)CC1 ZINC001173331138 808615912 /nfs/dbraw/zinc/61/59/12/808615912.db2.gz LRAIGDLTHFXZHP-UHFFFAOYSA-N 1 1 289.467 3.409 20 30 CGEDMO COc1ccc2c(c1)C[N@@H+](C1CCC(CC#N)CC1)C2 ZINC001173338918 808619946 /nfs/dbraw/zinc/61/99/46/808619946.db2.gz JUTHTPOVYLFZBN-UHFFFAOYSA-N 1 1 270.376 3.483 20 30 CGEDMO CC[N@H+]1CC[C@@H](N(CCC#N)C2CCCCCCC2)C1 ZINC001173364030 808631304 /nfs/dbraw/zinc/63/13/04/808631304.db2.gz SJGMZLAHXHZSOX-QGZVFWFLSA-N 1 1 277.456 3.409 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](CC)C(C)(C)C ZINC001268979027 808640227 /nfs/dbraw/zinc/64/02/27/808640227.db2.gz SXTALFZSXXZCSG-PMPSAXMXSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@H+](CC(CC)CC)C1 ZINC001269057235 808644327 /nfs/dbraw/zinc/64/43/27/808644327.db2.gz RAOVNYKTKSZNNV-ZBFHGGJFSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)CC/C=C/c2ccccc2)C1 ZINC001269065085 808645270 /nfs/dbraw/zinc/64/52/70/808645270.db2.gz HDYAVDBVYFBAOY-DBEXCURXSA-N 1 1 298.430 3.247 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)CC1 ZINC001173592653 808648595 /nfs/dbraw/zinc/64/85/95/808648595.db2.gz XLGMMBZHZBAGJC-GYMHETDLSA-N 1 1 274.408 3.292 20 30 CGEDMO C[N@@H+](Cc1cccc2c1OCO2)C1CCC(C)(C#N)CC1 ZINC001173596614 808649811 /nfs/dbraw/zinc/64/98/11/808649811.db2.gz AGXRPXXRAPEYIX-UHFFFAOYSA-N 1 1 286.375 3.320 20 30 CGEDMO C[N@@H+](C[C@@H]1Cc2ccccc2O1)C1CCC(C)(C#N)CC1 ZINC001173597614 808650754 /nfs/dbraw/zinc/65/07/54/808650754.db2.gz ZLRNODJPPNVYQT-PQUAAJSLSA-N 1 1 284.403 3.394 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001269156161 808651167 /nfs/dbraw/zinc/65/11/67/808651167.db2.gz PEZHVDIECBPVGA-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]1CNC(=O)C1CCCC1 ZINC001269189603 808652372 /nfs/dbraw/zinc/65/23/72/808652372.db2.gz VXOLRWLQWKQCCD-INIZCTEOSA-N 1 1 280.456 3.338 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](N(C)C(=O)C(C)(F)F)C1 ZINC001269209023 808655730 /nfs/dbraw/zinc/65/57/30/808655730.db2.gz SHFMSAOIRWNRFX-ZDUSSCGKSA-N 1 1 290.398 3.145 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2ccccc2)C1 ZINC001269208755 808656295 /nfs/dbraw/zinc/65/62/95/808656295.db2.gz POYCOKMXWDTLEQ-WBVHZDCISA-N 1 1 286.419 3.188 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](CC)CCCC)C1 ZINC001269257158 808661184 /nfs/dbraw/zinc/66/11/84/808661184.db2.gz PCVONJLUAOVTLS-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO CC#CCCCC(=O)NC[C@H]1CC[N@H+]1C[C@H](C)CC(C)C ZINC001269278366 808663409 /nfs/dbraw/zinc/66/34/09/808663409.db2.gz HTMXMZAJYMKHEY-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC(C)(C)C(=O)N(C)[C@H]1CC[N@H+](CC/C=C/CC)C1 ZINC001269279967 808663697 /nfs/dbraw/zinc/66/36/97/808663697.db2.gz GJAJQSYKAKMIHC-FDMDGMSGSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)C[C@H](C)CC(C)(C)C ZINC001269311743 808667307 /nfs/dbraw/zinc/66/73/07/808667307.db2.gz VFOCJQJOJIGFOI-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](CCC)CC(C)C)C1 ZINC001269303203 808667558 /nfs/dbraw/zinc/66/75/58/808667558.db2.gz ZMYNSDORACFHQT-IAGOWNOFSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](N(CC)C(=O)CC2CCC2)C1 ZINC001269319089 808670341 /nfs/dbraw/zinc/67/03/41/808670341.db2.gz TZPYCYHUCPVDFS-WBVHZDCISA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)CCC(=O)N(CC)[C@H]1CC[N@H+](C/C=C/Cl)C1 ZINC001269332779 808670900 /nfs/dbraw/zinc/67/09/00/808670900.db2.gz STYFQNBDRRZGCM-KVEVGEHQSA-N 1 1 284.831 3.018 20 30 CGEDMO C=C(C)CCC(=O)N(CC)[C@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC001269332779 808670906 /nfs/dbraw/zinc/67/09/06/808670906.db2.gz STYFQNBDRRZGCM-KVEVGEHQSA-N 1 1 284.831 3.018 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)/C=C\C(C)(C)C)C2)C1 ZINC001269686084 808697065 /nfs/dbraw/zinc/69/70/65/808697065.db2.gz MEALZWAQOZHXSR-YPLUBFQTSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)/C=C(\C)CC)C2)C1 ZINC001269686549 808697081 /nfs/dbraw/zinc/69/70/81/808697081.db2.gz PEZXYSMWGIRCGZ-QIPHDZALSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)CCC(=O)N1CCC2(CC[N@H+](CCCC)C2)CC1 ZINC001270329206 808725630 /nfs/dbraw/zinc/72/56/30/808725630.db2.gz PRDDOVPGXZMFNH-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCC1(C(=O)NC[C@]2(C)CCC[N@H+](CC)C2)CCCC1 ZINC001271017667 808758805 /nfs/dbraw/zinc/75/88/05/808758805.db2.gz UMFGAVGCWSGRBT-KRWDZBQOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)CC3(C)CC3)[C@@H]2C1 ZINC001272078766 808795768 /nfs/dbraw/zinc/79/57/68/808795768.db2.gz RFSFMNAOLHLCAZ-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC(C)(C)C(=O)N(C)CC[N@@H+](C)CC1CC(C)(C)C1 ZINC001272117690 808797269 /nfs/dbraw/zinc/79/72/69/808797269.db2.gz NILYMSRCXAGRSV-UHFFFAOYSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C(C)CN1CC[C@]2(CCC[N@@H+]2CC(CC)CC)C1=O ZINC001272423670 808808160 /nfs/dbraw/zinc/80/81/60/808808160.db2.gz HZCRNHQHNNEPIS-QGZVFWFLSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CN1c2ccccc2[C@@]2(CC[N@H+](CCCC)C2)C1=O ZINC001272466875 808811099 /nfs/dbraw/zinc/81/10/99/808811099.db2.gz KZLCWFPAQGURTN-IBGZPJMESA-N 1 1 298.430 3.353 20 30 CGEDMO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CCC(C)(C)C ZINC001272495722 808813412 /nfs/dbraw/zinc/81/34/12/808813412.db2.gz OZYMIBODDDOQFL-QGZVFWFLSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccccc1 ZINC001272594011 808816905 /nfs/dbraw/zinc/81/69/05/808816905.db2.gz ODFTYPOYSHHXEA-LJQANCHMSA-N 1 1 298.430 3.220 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@]2(CCN(C)C2=O)CC1 ZINC001272702642 808821537 /nfs/dbraw/zinc/82/15/37/808821537.db2.gz UAPWODPOGKODHQ-KRWDZBQOSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@]2(CCN(CC=C)C2=O)CC1 ZINC001273494951 808847815 /nfs/dbraw/zinc/84/78/15/808847815.db2.gz JZGYZLQUIMETGT-GOSISDBHSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@]12CCN(CC1CCCC1)C2=O ZINC001273491997 808848811 /nfs/dbraw/zinc/84/88/11/808848811.db2.gz MQZGOBPSRWLSPS-GOSISDBHSA-N 1 1 290.451 3.210 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@@]12CCN(CC=C(C)C)C2=O ZINC001273494934 808848959 /nfs/dbraw/zinc/84/89/59/808848959.db2.gz JMTXAXIWBPIQNJ-SFHVURJKSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@@]2(CCN(CCCC)C2=O)C1 ZINC001273495198 808849858 /nfs/dbraw/zinc/84/98/58/808849858.db2.gz QDRBDOZUTADAKS-QGZVFWFLSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001273530646 808851867 /nfs/dbraw/zinc/85/18/67/808851867.db2.gz SGIJYXYQDCJUBF-BBWFWOEESA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)CC(C)=C(C)C ZINC001273548314 808853337 /nfs/dbraw/zinc/85/33/37/808853337.db2.gz RQRWJBQPEFKLGF-UHFFFAOYSA-N 1 1 286.847 3.266 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCN(C)C(=O)CC(C)=C(C)C ZINC001273548314 808853341 /nfs/dbraw/zinc/85/33/41/808853341.db2.gz RQRWJBQPEFKLGF-UHFFFAOYSA-N 1 1 286.847 3.266 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2cccc(CC)c2)C1=O ZINC001273651684 808858087 /nfs/dbraw/zinc/85/80/87/808858087.db2.gz PYQCXOAHOLLVLK-LJQANCHMSA-N 1 1 298.430 3.002 20 30 CGEDMO C=CCC[N@H+](CC)CC1CCN(C(=O)CC2CCC2)CC1 ZINC001274945152 808893955 /nfs/dbraw/zinc/89/39/55/808893955.db2.gz CKJTYKPALHMZJD-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC1(C)C ZINC001275135580 808913580 /nfs/dbraw/zinc/91/35/80/808913580.db2.gz KUYZCDGKOZOPFX-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1cn[nH]c1 ZINC001275131032 808913748 /nfs/dbraw/zinc/91/37/48/808913748.db2.gz MWIQNCTXROQITR-IRXDYDNUSA-N 1 1 290.455 3.029 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)c1cccc(Cl)c1C ZINC001275834260 808969769 /nfs/dbraw/zinc/96/97/69/808969769.db2.gz DFRXEASSJPWPEO-LBPRGKRZSA-N 1 1 294.826 3.275 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)CC(C)(C)CC(F)F ZINC001275881172 808973645 /nfs/dbraw/zinc/97/36/45/808973645.db2.gz DTEYJVQIDYMACE-GFCCVEGCSA-N 1 1 290.398 3.071 20 30 CGEDMO N#Cc1ccc(NC2=CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC001174392482 808991015 /nfs/dbraw/zinc/99/10/15/808991015.db2.gz BDOWWYUNGIZUJX-UHFFFAOYSA-N 1 1 290.370 3.155 20 30 CGEDMO C=CCCCCCCCCC[N@@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC001276434652 809009214 /nfs/dbraw/zinc/00/92/14/809009214.db2.gz DDDQUAOWGHTGSU-ROUUACIJSA-N 1 1 294.483 3.308 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1CC[N@@H+]1C[C@@H](C)CC(C)C ZINC001276860519 809039118 /nfs/dbraw/zinc/03/91/18/809039118.db2.gz KBAITYVVDZFNKP-HOTGVXAUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccsc1 ZINC001276915517 809045651 /nfs/dbraw/zinc/04/56/51/809045651.db2.gz BSXWEHXSDKXNDC-ZBFHGGJFSA-N 1 1 292.448 3.041 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@H]1CC[N@H+]1Cc1ccsc1 ZINC001276915517 809045657 /nfs/dbraw/zinc/04/56/57/809045657.db2.gz BSXWEHXSDKXNDC-ZBFHGGJFSA-N 1 1 292.448 3.041 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]1CNC(=O)CC1(C=C)CCCCC1 ZINC001276942411 809048735 /nfs/dbraw/zinc/04/87/35/809048735.db2.gz WGJWNZYXGLNGPF-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO CCCCCCCCC[N@H+]1C[C@H]2C[C@@]2(C(=O)N(C)C)C1 ZINC001277232788 809064006 /nfs/dbraw/zinc/06/40/06/809064006.db2.gz AGEZXTVZUXIQLJ-NVXWUHKLSA-N 1 1 280.456 3.147 20 30 CGEDMO C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)CC(C)(C)CC)C2)C1 ZINC001277465093 809076237 /nfs/dbraw/zinc/07/62/37/809076237.db2.gz LNZPDNLSTHVYIQ-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)C(CC)CC)C2)C1 ZINC001277502466 809077631 /nfs/dbraw/zinc/07/76/31/809077631.db2.gz PSPMWLFFJHWZOE-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C)CCC)C2)C1 ZINC001277510159 809078949 /nfs/dbraw/zinc/07/89/49/809078949.db2.gz USZDWWJPOOGOTL-BBRMVZONSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C)CCC)C2)C1 ZINC001277510159 809078956 /nfs/dbraw/zinc/07/89/56/809078956.db2.gz USZDWWJPOOGOTL-BBRMVZONSA-N 1 1 298.858 3.100 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@](C)(NC(=O)CCC)C1 ZINC001278356185 809127128 /nfs/dbraw/zinc/12/71/28/809127128.db2.gz HWTNTTAOKCDLJJ-INIZCTEOSA-N 1 1 268.445 3.338 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)CC2(C)CCCCC2)C1 ZINC001278410368 809131410 /nfs/dbraw/zinc/13/14/10/809131410.db2.gz LVKZONSHHIKGBR-KRWDZBQOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)C(CC)CC)CCC[C@H]12 ZINC001278431797 809134313 /nfs/dbraw/zinc/13/43/13/809134313.db2.gz RIYFUPWMMQEWHA-GOEBONIOSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)C(CC)CC)CCC[C@H]12 ZINC001278431797 809134315 /nfs/dbraw/zinc/13/43/15/809134315.db2.gz RIYFUPWMMQEWHA-GOEBONIOSA-N 1 1 298.858 3.288 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H](C)C(CC)CC)CCC[C@H]12 ZINC001278450489 809135760 /nfs/dbraw/zinc/13/57/60/809135760.db2.gz DDPNBZNZCLZIOE-QILLFSRXSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)/C=C(/C)CC)[C@@H]1C ZINC001278504970 809139394 /nfs/dbraw/zinc/13/93/94/809139394.db2.gz GZKPROVFPJDOEZ-HOMNVKPHSA-N 1 1 284.831 3.064 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)/C=C(/C)CC)[C@@H]1C ZINC001278504970 809139395 /nfs/dbraw/zinc/13/93/95/809139395.db2.gz GZKPROVFPJDOEZ-HOMNVKPHSA-N 1 1 284.831 3.064 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)CCC2CCC2)C1 ZINC001278653344 809149362 /nfs/dbraw/zinc/14/93/62/809149362.db2.gz LLQBFLKTDNTOOD-GOSISDBHSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)C[N@@H+]1CCN(Cc2ccccc2)C[C@@H]1C(C)C ZINC001174749596 809151745 /nfs/dbraw/zinc/15/17/45/809151745.db2.gz PMZLKDDCQPPHGT-GOSISDBHSA-N 1 1 272.436 3.405 20 30 CGEDMO C=C(C)CN1CC[N@@H+](Cc2ccccc2)C[C@@H]1C(C)C ZINC001174749596 809151748 /nfs/dbraw/zinc/15/17/48/809151748.db2.gz PMZLKDDCQPPHGT-GOSISDBHSA-N 1 1 272.436 3.405 20 30 CGEDMO C=C(C)CN1CC[N@H+](Cc2ccccc2)C[C@@H]1C(C)C ZINC001174749596 809151752 /nfs/dbraw/zinc/15/17/52/809151752.db2.gz PMZLKDDCQPPHGT-GOSISDBHSA-N 1 1 272.436 3.405 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C(=O)[C@@H](F)C(C)C)C(C)C ZINC001278918570 809155494 /nfs/dbraw/zinc/15/54/94/809155494.db2.gz RQDIGBATQUATLK-HNNXBMFYSA-N 1 1 286.435 3.116 20 30 CGEDMO C=CCCCC(=O)N1C[C@@H]2C[N@@H+](CCCC(C)C)C[C@@H]2C1 ZINC001279387980 809172271 /nfs/dbraw/zinc/17/22/71/809172271.db2.gz GHDJGPKCABZXKG-CALCHBBNSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](CC)CCCC ZINC001279539940 809173007 /nfs/dbraw/zinc/17/30/07/809173007.db2.gz DXZQAWNFQRJGKV-BRWVUGGUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)C2(CC=C)CCC2)CC1 ZINC001279628076 809177320 /nfs/dbraw/zinc/17/73/20/809177320.db2.gz BDEWFNAULMRUEZ-UHFFFAOYSA-N 1 1 288.435 3.057 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C2(C)CC(=C)C2)CC1 ZINC001280756373 809197357 /nfs/dbraw/zinc/19/73/57/809197357.db2.gz JTRUCSRSMPTQJX-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@H+](CCC=C)CC1(C)C ZINC001281553344 809215320 /nfs/dbraw/zinc/21/53/20/809215320.db2.gz PSHANWPYXQHZNH-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO CC#CCCCC(=O)N[C@@H]1CC[N@@H+](CC=C(C)C)[C@@H](C)C1 ZINC001281675571 809218136 /nfs/dbraw/zinc/21/81/36/809218136.db2.gz MMLSPXSQCZMJQB-DLBZAZTESA-N 1 1 290.451 3.115 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)CC1CCC1 ZINC001281930197 809223756 /nfs/dbraw/zinc/22/37/56/809223756.db2.gz UQDUVFWUFZPQGR-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)CCC1CCC1 ZINC001281927728 809223975 /nfs/dbraw/zinc/22/39/75/809223975.db2.gz CIAKLWHVDKGBPM-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)CC ZINC001282449890 809248713 /nfs/dbraw/zinc/24/87/13/809248713.db2.gz PKLFBZCSZKVXGR-KGLIPLIRSA-N 1 1 268.445 3.214 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](C)C(CC)CC)C(C)(C)C1 ZINC001282812652 809263688 /nfs/dbraw/zinc/26/36/88/809263688.db2.gz PBNVZODUIIXVIC-GDBMZVCRSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)CC(C)(C)C2CC2)C(C)(C)C1 ZINC001282801345 809263930 /nfs/dbraw/zinc/26/39/30/809263930.db2.gz SQRBRSVOHRGJGI-OAHLLOKOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)/C(C)=C\C)C[C@@]2(C)C1 ZINC001282984740 809267769 /nfs/dbraw/zinc/26/77/69/809267769.db2.gz FVSCCJQVLZILBA-UOGNEQEJSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)CC(C)=C(C)C)CC1 ZINC001283320616 809274992 /nfs/dbraw/zinc/27/49/92/809274992.db2.gz YXPBGZISZIIBMC-UHFFFAOYSA-N 1 1 298.858 3.408 20 30 CGEDMO C=C(C)CCC(=O)N1CCC([N@@H+](C)CC2CCC2)CC1 ZINC001283310363 809275058 /nfs/dbraw/zinc/27/50/58/809275058.db2.gz KXBQVBRSLBGBHE-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)CCCC)CC1 ZINC001283292842 809275229 /nfs/dbraw/zinc/27/52/29/809275229.db2.gz SYEHVVRNNPJXQX-HNNXBMFYSA-N 1 1 280.456 3.454 20 30 CGEDMO CCCCC[N@H+]1CCC[C@@H](NC(=O)C#CC(C)(C)C)[C@@H]1C ZINC001284130490 809297560 /nfs/dbraw/zinc/29/75/60/809297560.db2.gz WQUVYIBNZWCYIS-JKSUJKDBSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)c1ccccc1)C(C)C ZINC001284526519 809306890 /nfs/dbraw/zinc/30/68/90/809306890.db2.gz FNOPOUMSNMYUJE-UHFFFAOYSA-N 1 1 274.408 3.045 20 30 CGEDMO CCCCCCCC[C@@H](C)C(=O)N1CC[NH+](C)CC1 ZINC001290113221 809402352 /nfs/dbraw/zinc/40/23/52/809402352.db2.gz LJJSIVZOAFMADK-OAHLLOKOSA-N 1 1 268.445 3.147 20 30 CGEDMO C#Cc1ccc(NC2=CC[N@@H+](Cc3ccccc3)CC2)cn1 ZINC001175505408 809433216 /nfs/dbraw/zinc/43/32/16/809433216.db2.gz PCRHSZWMSZSDCP-UHFFFAOYSA-N 1 1 289.382 3.265 20 30 CGEDMO C=C[C@@H](C(=O)OC)[N@@H+]1CCC(C)(C)[C@@H](c2ccccc2)C1 ZINC001176566714 809718545 /nfs/dbraw/zinc/71/85/45/809718545.db2.gz CEJWKWDWAOSXMP-CVEARBPZSA-N 1 1 287.403 3.230 20 30 CGEDMO C=C[C@@H](C(=O)OC)[N@H+]1CCC(C)(C)[C@@H](c2ccccc2)C1 ZINC001176566714 809718549 /nfs/dbraw/zinc/71/85/49/809718549.db2.gz CEJWKWDWAOSXMP-CVEARBPZSA-N 1 1 287.403 3.230 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)nn1 ZINC001176771048 809760133 /nfs/dbraw/zinc/76/01/33/809760133.db2.gz DMHRMKGWEZPMCL-GFCCVEGCSA-N 1 1 251.761 3.061 20 30 CGEDMO CC(C)[C@@H]1C[C@H](N2CCCC2)C[N@@H+]1Cc1cccc(C#N)c1 ZINC001176888095 809767436 /nfs/dbraw/zinc/76/74/36/809767436.db2.gz XYWSIGFROXDOOC-OALUTQOASA-N 1 1 297.446 3.253 20 30 CGEDMO CC(C)[C@@H]1C[C@H](N2CCCC2)C[N@H+]1Cc1cccc(C#N)c1 ZINC001176888095 809767437 /nfs/dbraw/zinc/76/74/37/809767437.db2.gz XYWSIGFROXDOOC-OALUTQOASA-N 1 1 297.446 3.253 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCc3cc(O)ccc3C2)cc1 ZINC001177015413 809775155 /nfs/dbraw/zinc/77/51/55/809775155.db2.gz IICQAIZTGVPINQ-UHFFFAOYSA-N 1 1 278.355 3.017 20 30 CGEDMO C=CC(C)(C)CCCNC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001177113708 809781127 /nfs/dbraw/zinc/78/11/27/809781127.db2.gz DIJCZYCRUQZFMP-QLFBSQMISA-N 1 1 280.456 3.356 20 30 CGEDMO C=CC[N@@H+](Cc1cn(CCC)nn1)CC1CCCCC1 ZINC001180292813 809989975 /nfs/dbraw/zinc/98/99/75/809989975.db2.gz PYJISPOLKLHTIM-UHFFFAOYSA-N 1 1 276.428 3.256 20 30 CGEDMO C=CC[N@H+](Cc1cn(CCC)nn1)CC1CCCCC1 ZINC001180292813 809989980 /nfs/dbraw/zinc/98/99/80/809989980.db2.gz PYJISPOLKLHTIM-UHFFFAOYSA-N 1 1 276.428 3.256 20 30 CGEDMO C[N@@H+](CC(=O)Nc1c(C#N)oc2ccccc21)C1CCCC1 ZINC001180624798 810014140 /nfs/dbraw/zinc/01/41/40/810014140.db2.gz JAAJDJLBCBBQAK-UHFFFAOYSA-N 1 1 297.358 3.117 20 30 CGEDMO Cc1[nH+]ccn1-c1ccc(Nc2ccncc2C#N)cc1 ZINC001214013115 815355466 /nfs/dbraw/zinc/35/54/66/815355466.db2.gz DSCCQQGXSUZUFM-UHFFFAOYSA-N 1 1 275.315 3.191 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)CC(C)(C)CC)[C@@H]2C1 ZINC001188025798 810444241 /nfs/dbraw/zinc/44/42/41/810444241.db2.gz AFGSQRKFIFPRLO-UONOGXRCSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)CC(C)(C)CC)[C@@H]2C1 ZINC001188025798 810444247 /nfs/dbraw/zinc/44/42/47/810444247.db2.gz AFGSQRKFIFPRLO-UONOGXRCSA-N 1 1 298.858 3.098 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1C(F)F ZINC001188293557 810474566 /nfs/dbraw/zinc/47/45/66/810474566.db2.gz XVGJHCBYIJOIMU-LBPRGKRZSA-N 1 1 294.345 3.004 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)F)C1 ZINC001188617158 810493797 /nfs/dbraw/zinc/49/37/97/810493797.db2.gz FYGXQWJJRQPEMH-AWEZNQCLSA-N 1 1 284.419 3.014 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CSC(C)C)C1 ZINC001188965443 810528418 /nfs/dbraw/zinc/52/84/18/810528418.db2.gz GNHVTEGHTFXTLE-LSDHHAIUSA-N 1 1 298.496 3.015 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)/C=C(/C)C2CC2)C1 ZINC001189131816 810544050 /nfs/dbraw/zinc/54/40/50/810544050.db2.gz CYHFMKSOCIQTIH-KTWGLELUSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)C(C)C)C1 ZINC001189327506 810558964 /nfs/dbraw/zinc/55/89/64/810558964.db2.gz NKMDSGMNYBNGST-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)/C=C\C(C)(C)C)C1 ZINC001189449403 810571325 /nfs/dbraw/zinc/57/13/25/810571325.db2.gz KUVVDLPOVQWXNX-ZHUYAKLQSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC2(C)C)C1 ZINC001189674610 810585867 /nfs/dbraw/zinc/58/58/67/810585867.db2.gz QEGKINOLGVWYPU-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)c2ccsc2C)C1 ZINC001190014243 810602869 /nfs/dbraw/zinc/60/28/69/810602869.db2.gz KLFCGNSYEXFJEL-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)CCCCCC)[C@@H]2C1 ZINC001190034920 810605062 /nfs/dbraw/zinc/60/50/62/810605062.db2.gz BQJQICTVHLUILL-LSDHHAIUSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)CCCCCC)[C@@H]2C1 ZINC001190034920 810605065 /nfs/dbraw/zinc/60/50/65/810605065.db2.gz BQJQICTVHLUILL-LSDHHAIUSA-N 1 1 298.858 3.242 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)C2(C)CC2)C1 ZINC001190277709 810616904 /nfs/dbraw/zinc/61/69/04/810616904.db2.gz AWXZWXOSQDMLIK-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@@H]([N@@H+](C)CCCCCF)C1 ZINC001190398307 810625228 /nfs/dbraw/zinc/62/52/28/810625228.db2.gz VHBIQVXVMLFRJJ-OAHLLOKOSA-N 1 1 298.446 3.261 20 30 CGEDMO CC[N@H+](Cc1ccccc1F)C[C@H](O)c1cccc(C#N)c1 ZINC001190628299 810640197 /nfs/dbraw/zinc/64/01/97/810640197.db2.gz VLXLNEOAVCOEGF-SFHVURJKSA-N 1 1 298.361 3.253 20 30 CGEDMO CCCCCCCCNC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001191077133 810671643 /nfs/dbraw/zinc/67/16/43/810671643.db2.gz SRNGYIWBGZDCRA-INIZCTEOSA-N 1 1 295.471 3.130 20 30 CGEDMO CC(C)C[C@H]1CC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC001191340739 810703047 /nfs/dbraw/zinc/70/30/47/810703047.db2.gz KFUOCHVHIBVVGD-QGZVFWFLSA-N 1 1 256.393 3.469 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001191590894 810726398 /nfs/dbraw/zinc/72/63/98/810726398.db2.gz HXYJXGWGUOXQNX-QLFBSQMISA-N 1 1 294.439 3.023 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)CCC(C)C)C1 ZINC001191695609 810731416 /nfs/dbraw/zinc/73/14/16/810731416.db2.gz KYJDYZMEZOTHCS-HNNXBMFYSA-N 1 1 280.456 3.168 20 30 CGEDMO C#CCCCCCC(=O)N1CC[C@H]([N@H+](C)CCC(C)C)C1 ZINC001191727665 810732765 /nfs/dbraw/zinc/73/27/65/810732765.db2.gz PGMYIMOZSZRTIJ-KRWDZBQOSA-N 1 1 292.467 3.149 20 30 CGEDMO C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)CCCCCC)C1 ZINC001191719204 810733129 /nfs/dbraw/zinc/73/31/29/810733129.db2.gz JTSDKMRUGNQOBF-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)CC(C)=C(C)C)C1 ZINC001191808687 810744564 /nfs/dbraw/zinc/74/45/64/810744564.db2.gz IOIIMKXYHUEHSA-INIZCTEOSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C2(CCC)CCC2)C1 ZINC001191850382 810751499 /nfs/dbraw/zinc/75/14/99/810751499.db2.gz SYXVZOGCBVDTLV-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)CCCC2CC2)C1 ZINC001191891066 810755077 /nfs/dbraw/zinc/75/50/77/810755077.db2.gz WTNGDPYOGOYTNT-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)C(CCC)CCC)C1 ZINC001192018366 810767186 /nfs/dbraw/zinc/76/71/86/810767186.db2.gz SRMREYXQHBOFKG-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCCC(=O)N1CC[C@@H]([N@H+](C)CC/C=C/CC)C1 ZINC001192094782 810769960 /nfs/dbraw/zinc/76/99/60/810769960.db2.gz VZSUQKRPGKUFPJ-IQIBNGDESA-N 1 1 278.440 3.232 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[C@@H]([N@H+](C)CC/C=C/CC)C1 ZINC001192163549 810772085 /nfs/dbraw/zinc/77/20/85/810772085.db2.gz XJRDPKJCIDBDBH-NKHMXISVSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C1CCC(C(=O)N2CC[C@H]([N@@H+](C)C/C=C\Cl)C2)CC1 ZINC001192181982 810774389 /nfs/dbraw/zinc/77/43/89/810774389.db2.gz ZYKKBZIBAJGMDN-YHTRPRNISA-N 1 1 296.842 3.018 20 30 CGEDMO C=CCCC1(C(=O)N2CC[C@@H]([N@@H+](C)CCC3CC3)C2)CC1 ZINC001192205632 810775347 /nfs/dbraw/zinc/77/53/47/810775347.db2.gz GYQHYJMJWVFSPH-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@@H]([N@@H+](C)CC3CCC3)C2)CCC1 ZINC001192227504 810778609 /nfs/dbraw/zinc/77/86/09/810778609.db2.gz QPZAAQDBTKUNHL-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@H]([N@@H+](C)CCC(=C)C)C2)CCC1 ZINC001192227732 810778977 /nfs/dbraw/zinc/77/89/77/810778977.db2.gz UKBRFBSSFCEZQQ-INIZCTEOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC[C@H]([N@H+](C)CC/C=C\CC)C2)C1 ZINC001192257672 810781287 /nfs/dbraw/zinc/78/12/87/810781287.db2.gz PMGTYWFPMPAWIU-WLMCBFPDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(C=C)cc2)C1 ZINC001192464373 810801400 /nfs/dbraw/zinc/80/14/00/810801400.db2.gz KIHDMTGPONOXJN-QGZVFWFLSA-N 1 1 284.403 3.052 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@@H]([N@H+](C)CCC(C)C)C1 ZINC001192577924 810806950 /nfs/dbraw/zinc/80/69/50/810806950.db2.gz JULVLDNYNDAEHK-OAHLLOKOSA-N 1 1 280.456 3.168 20 30 CGEDMO CCCCCCCC[N@H+]1C[C@@H](SC)[C@H](N(C)C)C1 ZINC001193020654 810841710 /nfs/dbraw/zinc/84/17/10/810841710.db2.gz CRGVLOLZEWRCBY-HUUCEWRRSA-N 1 1 272.502 3.324 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)C(C)(C)C)C1 ZINC001193713163 810940324 /nfs/dbraw/zinc/94/03/24/810940324.db2.gz JEYBJBZPSJMNBC-CABCVRRESA-N 1 1 280.456 3.168 20 30 CGEDMO C#CC[N@@H+](CCSc1ccncc1)Cc1ccccc1 ZINC001194164669 811025429 /nfs/dbraw/zinc/02/54/29/811025429.db2.gz KZEGGOWFQSOMDX-UHFFFAOYSA-N 1 1 282.412 3.309 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@H]([N@H+](C)CCC)C2)CCCCC1 ZINC001194201726 811033933 /nfs/dbraw/zinc/03/39/33/811033933.db2.gz WLWNQRDEELOURB-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CCCC)C(C)C)C1 ZINC001194336806 811054488 /nfs/dbraw/zinc/05/44/88/811054488.db2.gz MOOARUDEIHGFTQ-SJORKVTESA-N 1 1 292.467 3.005 20 30 CGEDMO C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](CCCC)C(C)C)C1 ZINC001194336805 811055096 /nfs/dbraw/zinc/05/50/96/811055096.db2.gz MOOARUDEIHGFTQ-IRXDYDNUSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)c2ccoc2C)CC1 ZINC001194761701 811126705 /nfs/dbraw/zinc/12/67/05/811126705.db2.gz LIPBVVBCFIIRKM-CQSZACIVSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@H]2CC=CCC2)CC1 ZINC001194803031 811139606 /nfs/dbraw/zinc/13/96/06/811139606.db2.gz XSXCZPLRUMRJKT-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCCCC[N@H+]1CCCN(C(=O)/C=C/C2CC2)CC1 ZINC001195418493 811253262 /nfs/dbraw/zinc/25/32/62/811253262.db2.gz GHWBXVMCJTZQQW-ZHACJKMWSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)c2c(C)coc2C)CC1 ZINC001195702675 811280078 /nfs/dbraw/zinc/28/00/78/811280078.db2.gz HCWFYTWZCITTQU-UHFFFAOYSA-N 1 1 290.407 3.011 20 30 CGEDMO C#CCC[N@@H+]1CCCN(C(=O)CCCCC(C)(C)C)CC1 ZINC001195957811 811306390 /nfs/dbraw/zinc/30/63/90/811306390.db2.gz IUDZRTIMLXHVGU-UHFFFAOYSA-N 1 1 292.467 3.151 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[N@H+](C[C@H](C)CC(C)C)CC1 ZINC001196731389 811361673 /nfs/dbraw/zinc/36/16/73/811361673.db2.gz AFVBGALQTZWTGC-MRXNPFEDSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[N@@H+](CC2CCCC2)CC1 ZINC001196889522 811378082 /nfs/dbraw/zinc/37/80/82/811378082.db2.gz FGICCEQDGLPNKG-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[N@H+](CCCCC)CC1 ZINC001196895170 811379944 /nfs/dbraw/zinc/37/99/44/811379944.db2.gz HPNXABGWPJPDBW-MRXNPFEDSA-N 1 1 280.456 3.313 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC[N@@H+](CCC(=C)C)CC1 ZINC001196889854 811380365 /nfs/dbraw/zinc/38/03/65/811380365.db2.gz IZDNCVHHICMWRY-INIZCTEOSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@H]2CCCC[C@@H]2C)CC1 ZINC001196942743 811386156 /nfs/dbraw/zinc/38/61/56/811386156.db2.gz ILCQARMVSSLYGU-IRXDYDNUSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC1(C(=O)N2CCC[N@@H+](CCC3CC3)CC2)CC1 ZINC001197062912 811393837 /nfs/dbraw/zinc/39/38/37/811393837.db2.gz ZVMJQTUHGPSTBC-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC1(C(=O)N2CCC[N@H+](C[C@H](C)CC)CC2)CCC1 ZINC001197076204 811396396 /nfs/dbraw/zinc/39/63/96/811396396.db2.gz CSFAWVIBBNTKEJ-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO CCCCCCC[N@H+]1CCCN(C(=O)C2(CF)CC2)CC1 ZINC001197125793 811401797 /nfs/dbraw/zinc/40/17/97/811401797.db2.gz KOWQNYGJQGSGNJ-UHFFFAOYSA-N 1 1 298.446 3.241 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CC23CCC3)CC1 ZINC001197270094 811410200 /nfs/dbraw/zinc/41/02/00/811410200.db2.gz ZMXUGECQMQYFCR-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(CC)C[N@H+](CC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001197671810 811444781 /nfs/dbraw/zinc/44/47/81/811444781.db2.gz NKVWFEXQVYNKFE-AWEZNQCLSA-N 1 1 282.428 3.284 20 30 CGEDMO C=CCC[C@@H]1CCC[N@H+]1CCOc1ccccc1C#N ZINC001198406693 811499250 /nfs/dbraw/zinc/49/92/50/811499250.db2.gz LRFMBLLLBAHYCT-MRXNPFEDSA-N 1 1 270.376 3.368 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@H]2CSC[C@@]2(C)C1 ZINC001198467631 811507470 /nfs/dbraw/zinc/50/74/70/811507470.db2.gz NDUKDYMEEUUTRK-VBNZEHGJSA-N 1 1 272.417 3.304 20 30 CGEDMO C=C1CC=C(F)C=C1NC(=O)c1c[nH+]ccc1N1CCCC1 ZINC001199370652 811573658 /nfs/dbraw/zinc/57/36/58/811573658.db2.gz GQBZXOUPIMMXMJ-UHFFFAOYSA-N 1 1 299.349 3.109 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(Br)[nH]1 ZINC001232692999 818421368 /nfs/dbraw/zinc/42/13/68/818421368.db2.gz FJGSZSFGQWSWGF-UHFFFAOYSA-N 1 1 257.175 3.175 20 30 CGEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+](CC(C)(C)C)C2 ZINC001201432566 811842157 /nfs/dbraw/zinc/84/21/57/811842157.db2.gz DXYUTOMYIATVJF-QGZVFWFLSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](CC(CC)CC)CCO2 ZINC001201528639 811886588 /nfs/dbraw/zinc/88/65/88/811886588.db2.gz VKNSATSKPSSIBS-ZWKOTPCHSA-N 1 1 295.467 3.496 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](C[C@@H](C)CCC)CC2 ZINC001201543696 811895940 /nfs/dbraw/zinc/89/59/40/811895940.db2.gz JMUHFVZRMIPDHC-WMZOPIPTSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](C[C@@H](C)CCC)CCO2 ZINC001201550756 811898363 /nfs/dbraw/zinc/89/83/63/811898363.db2.gz MGHQGPCOYNMAHM-RCCFBDPRSA-N 1 1 295.467 3.496 20 30 CGEDMO CCCCCCCCCCC[N@H+]1CCO[C@@H](CO)C1 ZINC001201631025 811925671 /nfs/dbraw/zinc/92/56/71/811925671.db2.gz LDWCUVZWBNIWCR-MRXNPFEDSA-N 1 1 271.445 3.210 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC1 ZINC001201762651 811963417 /nfs/dbraw/zinc/96/34/17/811963417.db2.gz QMDWWQXZVWPTSX-IRXDYDNUSA-N 1 1 292.467 3.432 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](Oc2nccc(C)n2)C1 ZINC001201798039 811965972 /nfs/dbraw/zinc/96/59/72/811965972.db2.gz MIDJUEHFCHFLFK-HNNXBMFYSA-N 1 1 277.412 3.209 20 30 CGEDMO CCCCCCCC[N@@H+]1Cc2ccnn2C[C@@H](COC)C1 ZINC001201826203 811968167 /nfs/dbraw/zinc/96/81/67/811968167.db2.gz PYCOYGWMEFXBHI-INIZCTEOSA-N 1 1 293.455 3.322 20 30 CGEDMO CCCCCCCCC[N@H+]1CCC(O)=C(C(=O)OCC)C1 ZINC001201838922 811969199 /nfs/dbraw/zinc/96/91/99/811969199.db2.gz GKXUSIMDBCNMBJ-HNNXBMFYSA-N 1 1 297.439 3.191 20 30 CGEDMO CCCCCCCCCC[N@H+]1CC[C@@H](O)[C@](C)(CO)C1 ZINC001201853003 811972090 /nfs/dbraw/zinc/97/20/90/811972090.db2.gz XAVMCJQVQNPZEG-SJORKVTESA-N 1 1 285.472 3.192 20 30 CGEDMO N#Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3ccco3)C2)c1 ZINC001203285990 812293162 /nfs/dbraw/zinc/29/31/62/812293162.db2.gz YFENWNLFWYHDOC-QGZVFWFLSA-N 1 1 282.343 3.195 20 30 CGEDMO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccccc1)CC2 ZINC001203308713 812305722 /nfs/dbraw/zinc/30/57/22/812305722.db2.gz IWLBINUSGVYQMG-LJQANCHMSA-N 1 1 298.430 3.220 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)c(OC)c1OC)C(C)(C)C ZINC001203469949 812369842 /nfs/dbraw/zinc/36/98/42/812369842.db2.gz REHYXXDGURYOEW-UHFFFAOYSA-N 1 1 293.407 3.499 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(OC)c(C)c2C)C1 ZINC001203726002 812441656 /nfs/dbraw/zinc/44/16/56/812441656.db2.gz XXIHDAJRQAZTBR-HNNXBMFYSA-N 1 1 257.377 3.157 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](F)C(F)(F)CC2)c1 ZINC001203755934 812455424 /nfs/dbraw/zinc/45/54/24/812455424.db2.gz YLEXGDHIOHZOMA-CYBMUJFWSA-N 1 1 268.282 3.127 20 30 CGEDMO COc1cc(C)c(C[N@H+]2CCC[C@@H](CC#N)C2)cc1C ZINC001203759451 812456480 /nfs/dbraw/zinc/45/64/80/812456480.db2.gz FOIFDMXASCGGKX-HNNXBMFYSA-N 1 1 272.392 3.438 20 30 CGEDMO N#Cc1ccc(C[NH+]2CCN(c3cccc(F)c3)CC2)cc1 ZINC001203906408 812488431 /nfs/dbraw/zinc/48/84/31/812488431.db2.gz QCKVCRXTDIVGPK-UHFFFAOYSA-N 1 1 295.361 3.020 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)c(OC)c1C ZINC001204262356 812591146 /nfs/dbraw/zinc/59/11/46/812591146.db2.gz PRODRJMJVZCIFQ-AWEZNQCLSA-N 1 1 288.391 3.138 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(OC)c(C)c1OC ZINC001204263854 812592258 /nfs/dbraw/zinc/59/22/58/812592258.db2.gz PESXBUDQKAEXSD-UHFFFAOYSA-N 1 1 263.381 3.410 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cc(O)c(O)c(OC)c1 ZINC001204346450 812616080 /nfs/dbraw/zinc/61/60/80/812616080.db2.gz QAXSHZHKXRGMCB-UHFFFAOYSA-N 1 1 299.370 3.295 20 30 CGEDMO C[N@H+](CCCC(=O)c1cccnc1)Cc1ccccc1C#N ZINC001204371648 812622979 /nfs/dbraw/zinc/62/29/79/812622979.db2.gz NINUHDKVVPTDQS-UHFFFAOYSA-N 1 1 293.370 3.048 20 30 CGEDMO C[N@@H+](CCCC(=O)c1cccnc1)Cc1ccccc1C#N ZINC001204371648 812622984 /nfs/dbraw/zinc/62/29/84/812622984.db2.gz NINUHDKVVPTDQS-UHFFFAOYSA-N 1 1 293.370 3.048 20 30 CGEDMO C=CC[NH+]1CCN(Cc2ccc(C(C)(C)C)cc2)CC1 ZINC001204397004 812628947 /nfs/dbraw/zinc/62/89/47/812628947.db2.gz DYHJYJLXTRCSDP-UHFFFAOYSA-N 1 1 272.436 3.288 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3n2)CC1 ZINC001204502405 812657605 /nfs/dbraw/zinc/65/76/05/812657605.db2.gz DMNOKALRFJAADC-CQSZACIVSA-N 1 1 265.360 3.360 20 30 CGEDMO CC[N@@H+](Cc1ccc2scnc2c1)C[C@H](C)C#N ZINC001204824969 812747397 /nfs/dbraw/zinc/74/73/97/812747397.db2.gz BQOJUBXOQXKCBR-LLVKDONJSA-N 1 1 259.378 3.278 20 30 CGEDMO CC[N@H+](Cc1ccc2scnc2c1)C[C@H](C)C#N ZINC001204824969 812747404 /nfs/dbraw/zinc/74/74/04/812747404.db2.gz BQOJUBXOQXKCBR-LLVKDONJSA-N 1 1 259.378 3.278 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)CC1(OC)CCC1 ZINC001204900185 812768667 /nfs/dbraw/zinc/76/86/67/812768667.db2.gz XYBQJXWPMLOYIL-UHFFFAOYSA-N 1 1 259.393 3.286 20 30 CGEDMO CC(C)C[N@H+](CCC#N)Cc1cc(F)ccc1N(C)C ZINC001205083272 812854032 /nfs/dbraw/zinc/85/40/32/812854032.db2.gz VMXZAOIKUUEZNX-UHFFFAOYSA-N 1 1 277.387 3.263 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)Cc1cc(F)ccc1N(C)C ZINC001205083272 812854043 /nfs/dbraw/zinc/85/40/43/812854043.db2.gz VMXZAOIKUUEZNX-UHFFFAOYSA-N 1 1 277.387 3.263 20 30 CGEDMO CC[N@@H+](Cc1cc(C#N)ccc1N(C)C)CC(C)(C)C ZINC001205973704 813149634 /nfs/dbraw/zinc/14/96/34/813149634.db2.gz DKOHBWXMFMMVFO-UHFFFAOYSA-N 1 1 273.424 3.492 20 30 CGEDMO C[C@H]1CN(Cc2ccc(Cl)cc2C#N)CCC[C@@H]1C[NH3+] ZINC001206013737 813165172 /nfs/dbraw/zinc/16/51/72/813165172.db2.gz UAEAPAGBHHTIBP-QWHCGFSZSA-N 1 1 291.826 3.018 20 30 CGEDMO Cc1ccc(-c2ccccc2C[NH+]2CCOCC2)c(C#N)c1 ZINC001242593603 823051183 /nfs/dbraw/zinc/05/11/83/823051183.db2.gz UAKNDHLETAOZEZ-UHFFFAOYSA-N 1 1 292.382 3.366 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC=C)C1 ZINC001206536939 813343361 /nfs/dbraw/zinc/34/33/61/813343361.db2.gz FXIVSAJFIIWYQB-HZPDHXFCSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCCCCCC[N@H+]1CCC(F)(F)[C@@H](N)C1 ZINC001206656515 813391254 /nfs/dbraw/zinc/39/12/54/813391254.db2.gz LQLGXQKPTCDITL-ZDUSSCGKSA-N 1 1 260.372 3.181 20 30 CGEDMO CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001206949376 813460111 /nfs/dbraw/zinc/46/01/11/813460111.db2.gz BFFGWTVZYYHTKW-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO COc1ccccc1[C@@H](C)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC001207108510 813487466 /nfs/dbraw/zinc/48/74/66/813487466.db2.gz DSGUWEGXVGTBIU-CYBMUJFWSA-N 1 1 283.375 3.098 20 30 CGEDMO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[C@@H](C)CCC)C1 ZINC001207120056 813489742 /nfs/dbraw/zinc/48/97/42/813489742.db2.gz IOWBPBVJHZMXCL-GVDBMIGSSA-N 1 1 292.467 3.053 20 30 CGEDMO COc1ccc(CC[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1 ZINC001207476489 813570691 /nfs/dbraw/zinc/57/06/91/813570691.db2.gz GELBPIIXOMRNHU-PHZGNYQRSA-N 1 1 270.376 3.004 20 30 CGEDMO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1nc2ccccc2o1 ZINC001207610593 813612976 /nfs/dbraw/zinc/61/29/76/813612976.db2.gz BYGFKWNSGBGUKZ-ZDUSSCGKSA-N 1 1 299.374 3.016 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@](C)(F)CCCC)C1 ZINC001207779702 813650281 /nfs/dbraw/zinc/65/02/81/813650281.db2.gz OKNMEIOQDZRULK-BFYDXBDKSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C(CC)CC)C1 ZINC001207787644 813650963 /nfs/dbraw/zinc/65/09/63/813650963.db2.gz ZBYKIVHFARSOEE-BFYDXBDKSA-N 1 1 294.483 3.461 20 30 CGEDMO CCCCCCC/C=C/C[N@@H+]1CCO[C@@H]2C[C@H](CO)C[C@H]21 ZINC001208119702 813698723 /nfs/dbraw/zinc/69/87/23/813698723.db2.gz GBQRCCWWUGUIDL-NREHPGHKSA-N 1 1 295.467 3.375 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CCO[C@@H]2C[C@H](CO)C[C@H]21 ZINC001208119702 813698727 /nfs/dbraw/zinc/69/87/27/813698727.db2.gz GBQRCCWWUGUIDL-NREHPGHKSA-N 1 1 295.467 3.375 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCCC[C@H]2C(=O)OC)CC1 ZINC001208171110 813723459 /nfs/dbraw/zinc/72/34/59/813723459.db2.gz PFNBKDYRFSJFSF-CVEARBPZSA-N 1 1 277.408 3.317 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCCC[C@H]2C(=O)OC)CC1 ZINC001208171110 813723464 /nfs/dbraw/zinc/72/34/64/813723464.db2.gz PFNBKDYRFSJFSF-CVEARBPZSA-N 1 1 277.408 3.317 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@H]3[C@H](C2)CCCN3C)CC1 ZINC001208178311 813728585 /nfs/dbraw/zinc/72/85/85/813728585.db2.gz PXPZCBCDEADLRH-SQNIBIBYSA-N 1 1 274.452 3.315 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[NH+]2CC(N3CC[C@H](F)C3)C2)CC1 ZINC001208178246 813728867 /nfs/dbraw/zinc/72/88/67/813728867.db2.gz OYQOPTKUAMOUIX-CVEARBPZSA-N 1 1 278.415 3.017 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@@H](n3cncn3)C2)CC1 ZINC001208177785 813729362 /nfs/dbraw/zinc/72/93/62/813729362.db2.gz FFCMBWJVOZWXMW-IAGOWNOFSA-N 1 1 286.423 3.218 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@H]3OCC[C@@H]3C2)CC1 ZINC001208178572 813729371 /nfs/dbraw/zinc/72/93/71/813729371.db2.gz RTYDBKINXYASKP-BRWVUGGUSA-N 1 1 261.409 3.400 20 30 CGEDMO N#Cc1ccc2c(c1)CC[N@H+](CCc1cccc(F)c1)C2 ZINC001208195918 813741679 /nfs/dbraw/zinc/74/16/79/813741679.db2.gz QVDUBPSSBUAGCA-UHFFFAOYSA-N 1 1 280.346 3.298 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1C ZINC001208393598 813759753 /nfs/dbraw/zinc/75/97/53/813759753.db2.gz UBCIPUCASVWCHA-HLLBOEOZSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](CC/C=C\CC)C[C@H]1C ZINC001208392862 813760086 /nfs/dbraw/zinc/76/00/86/813760086.db2.gz DFVOZUCRUOSRMU-RDCZLPIASA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CCC(=C)CC2)C1 ZINC001208494317 813763834 /nfs/dbraw/zinc/76/38/34/813763834.db2.gz PPSNIBLWBBGFBP-NVXWUHKLSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(CCC=C)CC2)C1 ZINC001208515291 813764846 /nfs/dbraw/zinc/76/48/46/813764846.db2.gz HDRISAYSMRKFSW-HZPDHXFCSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)CC)C[C@H]2C)CCC1 ZINC001208517212 813765122 /nfs/dbraw/zinc/76/51/22/813765122.db2.gz CSTCGQHAKXDKET-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)C[C@H]1CCCN(C)C1 ZINC001208609887 813772701 /nfs/dbraw/zinc/77/27/01/813772701.db2.gz XHIDUXPAZUQRFV-SFHVURJKSA-N 1 1 272.436 3.407 20 30 CGEDMO Cc1cc(C#N)cc(Cl)c1NC1=CC[N@@H+](C)CC1 ZINC001208838054 813860945 /nfs/dbraw/zinc/86/09/45/813860945.db2.gz NRTRJWWROKMKMI-UHFFFAOYSA-N 1 1 261.756 3.151 20 30 CGEDMO C[N@@H+](CCCc1cccc(C#N)c1)Cc1cccc(O)c1 ZINC001208844917 813863343 /nfs/dbraw/zinc/86/33/43/813863343.db2.gz MSAPINKMLSGAAA-UHFFFAOYSA-N 1 1 280.371 3.328 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCc2cccc(C#N)c2)C1 ZINC001208850516 813864458 /nfs/dbraw/zinc/86/44/58/813864458.db2.gz CRWQLBBGTVLPKU-GASCZTMLSA-N 1 1 256.393 3.469 20 30 CGEDMO N#Cc1cccc(CCC[N@@H+]2CC[C@]3(CC3(F)F)C2)c1 ZINC001208853317 813866258 /nfs/dbraw/zinc/86/62/58/813866258.db2.gz IDPQLNWTDKTXNF-HNNXBMFYSA-N 1 1 276.330 3.222 20 30 CGEDMO N#Cc1cccc(CCC[N@H+]2CCC[C@@H]2CN2CCCC2)c1 ZINC001208853723 813866361 /nfs/dbraw/zinc/86/63/61/813866361.db2.gz UDJAZIHKEMKLOK-LJQANCHMSA-N 1 1 297.446 3.051 20 30 CGEDMO N#Cc1cccc(CCCN2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC001208853723 813866367 /nfs/dbraw/zinc/86/63/67/813866367.db2.gz UDJAZIHKEMKLOK-LJQANCHMSA-N 1 1 297.446 3.051 20 30 CGEDMO CC[N@@H+](CCCc1cccc(C#N)c1)CCN1CCCCC1 ZINC001208850918 813866385 /nfs/dbraw/zinc/86/63/85/813866385.db2.gz OGQRZJBJGDWQFD-UHFFFAOYSA-N 1 1 299.462 3.299 20 30 CGEDMO CCN(CCCc1cccc(C#N)c1)CC[NH+]1CCCCC1 ZINC001208850918 813866392 /nfs/dbraw/zinc/86/63/92/813866392.db2.gz OGQRZJBJGDWQFD-UHFFFAOYSA-N 1 1 299.462 3.299 20 30 CGEDMO N#Cc1cccc(CCC[N@H+]2CCC3(CCC3)C2)c1 ZINC001208853162 813866512 /nfs/dbraw/zinc/86/65/12/813866512.db2.gz DRXZIYUWIIZZLI-UHFFFAOYSA-N 1 1 254.377 3.367 20 30 CGEDMO N#Cc1ccc(CCC[N@H+]2CCC[C@@H]2c2cnccn2)cc1 ZINC001208858524 813870235 /nfs/dbraw/zinc/87/02/35/813870235.db2.gz MAANGNXDPSDJHC-GOSISDBHSA-N 1 1 292.386 3.118 20 30 CGEDMO CC(C)[N@@H+](CCCc1cccc(C#N)c1)C1CCOCC1 ZINC001208858943 813872104 /nfs/dbraw/zinc/87/21/04/813872104.db2.gz AVMRFGGUVXKTFY-UHFFFAOYSA-N 1 1 286.419 3.380 20 30 CGEDMO N#C[C@H]1CCCN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208939160 813904042 /nfs/dbraw/zinc/90/40/42/813904042.db2.gz GYGCFGAJPPUSFI-MOPGFXCFSA-N 1 1 297.446 3.134 20 30 CGEDMO CCCCN(CC#N)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208953573 813911474 /nfs/dbraw/zinc/91/14/74/813911474.db2.gz QVQJBMLVGRKPQD-SFHVURJKSA-N 1 1 285.435 3.134 20 30 CGEDMO CCCC[N@H+](CCC#N)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC001208991452 813912208 /nfs/dbraw/zinc/91/22/08/813912208.db2.gz MJLTUGKQOFFOGN-AWEZNQCLSA-N 1 1 295.427 3.012 20 30 CGEDMO CCCC[N@@H+](CCC#N)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC001208991452 813912211 /nfs/dbraw/zinc/91/22/11/813912211.db2.gz MJLTUGKQOFFOGN-AWEZNQCLSA-N 1 1 295.427 3.012 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CCC)C(C)C)C1 ZINC001209038330 813920232 /nfs/dbraw/zinc/92/02/32/813920232.db2.gz LOHRYWXDLCUFCD-OWCLPIDISA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H](C)C1 ZINC001209156918 813949828 /nfs/dbraw/zinc/94/98/28/813949828.db2.gz KGOVXMFFTXBIOR-AWEZNQCLSA-N 1 1 282.428 3.141 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)CC(C)(C)C)C1 ZINC001209187753 813959908 /nfs/dbraw/zinc/95/99/08/813959908.db2.gz IXSNJBGECYYLTC-RBSFLKMASA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC001209202816 813966588 /nfs/dbraw/zinc/96/65/88/813966588.db2.gz QREDSVVALFAALC-MRXNPFEDSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@H](Oc2cccc(C)n2)C1 ZINC001209208235 813968028 /nfs/dbraw/zinc/96/80/28/813968028.db2.gz OCKRKUVQVUHQHW-HNNXBMFYSA-N 1 1 260.381 3.199 20 30 CGEDMO C=CCCCC[N@@H+]1C[C@@H]2CC[C@H]1CN2C(=O)OC(C)(C)C ZINC001209207713 813968403 /nfs/dbraw/zinc/96/84/03/813968403.db2.gz CNHQOMOCMLXGEV-GJZGRUSLSA-N 1 1 294.439 3.426 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC001209206806 813968604 /nfs/dbraw/zinc/96/86/04/813968604.db2.gz BDKSIYQFOUEDHU-AWEZNQCLSA-N 1 1 267.413 3.396 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@H]1C(=O)Nc1ccccc1 ZINC001209207571 813968680 /nfs/dbraw/zinc/96/86/80/813968680.db2.gz AUEULZFFCXVCMI-INIZCTEOSA-N 1 1 272.392 3.446 20 30 CGEDMO C#CCCC[N@@H+]1CC[C@H](C(=O)OC)C[C@H]1c1ccccc1 ZINC001209267583 813989135 /nfs/dbraw/zinc/98/91/35/813989135.db2.gz JSHSDRPIWBDIFD-IRXDYDNUSA-N 1 1 285.387 3.026 20 30 CGEDMO C#CCCC[N@H+](C)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001209267233 813990007 /nfs/dbraw/zinc/99/00/07/813990007.db2.gz DVLARFHTZVDEAM-LSDHHAIUSA-N 1 1 294.439 3.168 20 30 CGEDMO COc1cc(C#N)ccc1Nc1c(C)cc[nH+]c1C ZINC001209272326 813991071 /nfs/dbraw/zinc/99/10/71/813991071.db2.gz OPZKJNBDOAEENI-UHFFFAOYSA-N 1 1 253.305 3.322 20 30 CGEDMO C=CCCCCC[N@H+]1CCn2cc(C(F)(F)F)nc2C1 ZINC001209427628 814027783 /nfs/dbraw/zinc/02/77/83/814027783.db2.gz WGZWNTVWXWNQMH-UHFFFAOYSA-N 1 1 287.329 3.464 20 30 CGEDMO C=CCCCCC[N@@H+]1CCn2cc(C(F)(F)F)nc2C1 ZINC001209427628 814027786 /nfs/dbraw/zinc/02/77/86/814027786.db2.gz WGZWNTVWXWNQMH-UHFFFAOYSA-N 1 1 287.329 3.464 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](C(=O)OC)[C@@H]1C ZINC001209428546 814030098 /nfs/dbraw/zinc/03/00/98/814030098.db2.gz KZSLFPBQSXUESJ-KBPBESRZSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CCCCCCC[N@H+](CC)CCCC(=O)OC ZINC001209431459 814031321 /nfs/dbraw/zinc/03/13/21/814031321.db2.gz OMTZUYMROLVDPJ-UHFFFAOYSA-N 1 1 255.402 3.398 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](Oc2nccc(C)n2)C1 ZINC001209432827 814033996 /nfs/dbraw/zinc/03/39/96/814033996.db2.gz KMTANDHAJDEBRN-MRXNPFEDSA-N 1 1 289.423 3.375 20 30 CGEDMO C=CCCCCCCC[N@H+](C)CCc1noc(C)n1 ZINC001209438104 814036641 /nfs/dbraw/zinc/03/66/41/814036641.db2.gz GAQNGGKDVSWNNY-UHFFFAOYSA-N 1 1 265.401 3.379 20 30 CGEDMO C=CCCCCCCC[N@H+]1CCC[C@@]2(CCNC2=O)C1 ZINC001209442080 814041068 /nfs/dbraw/zinc/04/10/68/814041068.db2.gz SNJZJDMECAMELE-QGZVFWFLSA-N 1 1 278.440 3.115 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CCC[C@H]1C(=O)NCC ZINC001209442430 814042525 /nfs/dbraw/zinc/04/25/25/814042525.db2.gz RTUOAFABHALHGO-HNNXBMFYSA-N 1 1 266.429 3.114 20 30 CGEDMO C=CCCCCCCC[N@H+](CC)CCN1CCOCC1 ZINC001209442882 814042697 /nfs/dbraw/zinc/04/26/97/814042697.db2.gz ZAPLLUYZMGOXLH-UHFFFAOYSA-N 1 1 282.472 3.167 20 30 CGEDMO COc1cc(C#N)ccc1Nc1ccc2c(c1)C[N@H+](C)CC2 ZINC001209461776 814051143 /nfs/dbraw/zinc/05/11/43/814051143.db2.gz LOMPQBIVUDTOQL-UHFFFAOYSA-N 1 1 293.370 3.298 20 30 CGEDMO N#Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3cncs3)C2)c1 ZINC001209549908 814080852 /nfs/dbraw/zinc/08/08/52/814080852.db2.gz QSFNXWKPAWBTLA-OAHLLOKOSA-N 1 1 299.399 3.058 20 30 CGEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CCCCCC)C1 ZINC001209665114 814111056 /nfs/dbraw/zinc/11/10/56/814111056.db2.gz WRJUNZAOLGJKKO-GVDBMIGSSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[NH+]1CCN(Cc2cc3cc(Cl)ccc3[nH]2)CC1 ZINC001209723351 814120807 /nfs/dbraw/zinc/12/08/07/814120807.db2.gz NVYCRQDFZQOFPM-UHFFFAOYSA-N 1 1 289.810 3.125 20 30 CGEDMO N#Cc1ccc(F)c(Nc2ccc3[nH]c[nH+]c3c2)c1 ZINC001209847653 814165593 /nfs/dbraw/zinc/16/55/93/814165593.db2.gz UKKCDKFETKMMGP-UHFFFAOYSA-N 1 1 252.252 3.317 20 30 CGEDMO N#Cc1ccccc1-c1cccc(CN2CCC([NH3+])CC2)c1 ZINC001242717299 823110821 /nfs/dbraw/zinc/11/08/21/823110821.db2.gz UTEBCYORSKTTOU-UHFFFAOYSA-N 1 1 291.398 3.148 20 30 CGEDMO COc1cccc(Nc2cc(C)cc(C)[nH+]2)c1C#N ZINC001210118978 814297484 /nfs/dbraw/zinc/29/74/84/814297484.db2.gz QOVZSRBJHIKCIO-UHFFFAOYSA-N 1 1 253.305 3.322 20 30 CGEDMO C[C@@H]1CC(=O)C=C(c2ccc(F)c(C[NH+](C)C)c2)C1 ZINC001242743327 823119533 /nfs/dbraw/zinc/11/95/33/823119533.db2.gz PWBCEYHLEYDRSV-NSHDSACASA-N 1 1 261.340 3.270 20 30 CGEDMO CCCCCCC[C@@H](CC)OCC[C@H]([NH3+])C(=O)OC ZINC001217892060 815991428 /nfs/dbraw/zinc/99/14/28/815991428.db2.gz SXKIILAZZBIBKH-KGLIPLIRSA-N 1 1 273.417 3.033 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCCC)[C@@H]2C1 ZINC001221278815 816308662 /nfs/dbraw/zinc/30/86/62/816308662.db2.gz HNTZKCCKTVLROO-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@](C)(CC)CCC)[C@@H]2C1 ZINC001221896373 816333408 /nfs/dbraw/zinc/33/34/08/816333408.db2.gz HPEBBRAVAVEVAS-NUJGCVRESA-N 1 1 292.467 3.312 20 30 CGEDMO C#Cc1ccc(CN2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc1 ZINC001222167845 816367950 /nfs/dbraw/zinc/36/79/50/816367950.db2.gz SXOBTLORWSZGFF-HXUWFJFHSA-N 1 1 296.458 3.414 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H](C)CC)C[C@@H]21 ZINC001222607658 816476093 /nfs/dbraw/zinc/47/60/93/816476093.db2.gz LPIVAHQQPXGGOW-BBWFWOEESA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[C@H]2CC[N@@H+](CC(C)C)[C@H]2C1 ZINC001223338407 816608027 /nfs/dbraw/zinc/60/80/27/816608027.db2.gz PFIWULMYVHUIJN-ZACQAIPSSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]2CC[N@H+](CCC(=C)C)[C@H]2C1 ZINC001223400940 816622732 /nfs/dbraw/zinc/62/27/32/816622732.db2.gz DGOKWZBYBJVYQX-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C[C@H](O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC001223963830 816710530 /nfs/dbraw/zinc/71/05/30/816710530.db2.gz RAUSBKDYRZVDKR-NPOVIKNQSA-N 1 1 293.794 3.030 20 30 CGEDMO C[C@H](O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC001223963830 816710536 /nfs/dbraw/zinc/71/05/36/816710536.db2.gz RAUSBKDYRZVDKR-NPOVIKNQSA-N 1 1 293.794 3.030 20 30 CGEDMO C=C[C@@H](C)[C@H](C)C(=O)NCC1CC[NH+](CC(=C)Cl)CC1 ZINC001224165973 816745349 /nfs/dbraw/zinc/74/53/49/816745349.db2.gz WIYQFCSAYBRSCY-OCCSQVGLSA-N 1 1 298.858 3.025 20 30 CGEDMO C=CCCCO[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001224511742 816818238 /nfs/dbraw/zinc/81/82/38/816818238.db2.gz QVZIJAFUKYNWRV-FUHWJXTLSA-N 1 1 289.419 3.259 20 30 CGEDMO C=CCCCO[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001224511742 816818247 /nfs/dbraw/zinc/81/82/47/816818247.db2.gz QVZIJAFUKYNWRV-FUHWJXTLSA-N 1 1 289.419 3.259 20 30 CGEDMO C=C[C@]1(C)CC[C@H](C(C)(C)OC[C@H]2CCCC[N@@H+]2C)O1 ZINC001224701107 816856317 /nfs/dbraw/zinc/85/63/17/816856317.db2.gz CTSRYRGMNPJEGM-BFYDXBDKSA-N 1 1 281.440 3.390 20 30 CGEDMO C=C(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@@H]1CCC[N@H+]1C ZINC001224817775 816889846 /nfs/dbraw/zinc/88/98/46/816889846.db2.gz ZSFXABZYXXYLLS-YHUYYLMFSA-N 1 1 251.414 3.478 20 30 CGEDMO N#Cc1ccc2cc(O[C@@H]3CCc4[nH+]ccn4C3)ccc2c1 ZINC001226815587 817473794 /nfs/dbraw/zinc/47/37/94/817473794.db2.gz MKMKXGPMLURILX-QGZVFWFLSA-N 1 1 289.338 3.302 20 30 CGEDMO CC[N@H+]1CCC[C@H](Oc2ccc(Cl)cc2C#N)C1 ZINC001227205078 817591284 /nfs/dbraw/zinc/59/12/84/817591284.db2.gz CGBBXOFAJIYGBR-ZDUSSCGKSA-N 1 1 264.756 3.075 20 30 CGEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cccc3nc(C#N)ccc31)C2 ZINC001227802658 817724437 /nfs/dbraw/zinc/72/44/37/817724437.db2.gz YMDHWCSYYJOGNZ-FICVDOATSA-N 1 1 293.370 3.110 20 30 CGEDMO C#C[C@@H](CC(C)C)Oc1cc2c(cc1OC)CC[NH+]=C2 ZINC001228091640 817810504 /nfs/dbraw/zinc/81/05/04/817810504.db2.gz CVRIRIIPEYNZPI-HNNXBMFYSA-N 1 1 271.360 3.097 20 30 CGEDMO Cc1ccc2cc(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)[N@H+]4C)ccc2c1 ZINC001228738558 817994148 /nfs/dbraw/zinc/99/41/48/817994148.db2.gz NZBDEKDZHMERMI-QQTVYSQJSA-N 1 1 295.382 3.139 20 30 CGEDMO Cc1ccc2cc(O[C@@H]3C[C@@H]4[C@H]5O[C@H]5[C@H](C3)[N@@H+]4C)ccc2c1 ZINC001228738558 817994153 /nfs/dbraw/zinc/99/41/53/817994153.db2.gz NZBDEKDZHMERMI-QQTVYSQJSA-N 1 1 295.382 3.139 20 30 CGEDMO C[N@@H+](Cc1c[nH]c2cccnc12)Cc1ccc(C#N)cc1 ZINC001231490727 818111257 /nfs/dbraw/zinc/11/12/57/818111257.db2.gz YVPANTIKHWDKPH-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2nc3c(s2)CCCC3)CC1 ZINC001231581985 818127893 /nfs/dbraw/zinc/12/78/93/818127893.db2.gz AWTKQDVGVDKTEK-GFCCVEGCSA-N 1 1 275.421 3.148 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2nc3c(s2)CCCC3)CC1 ZINC001231581985 818127895 /nfs/dbraw/zinc/12/78/95/818127895.db2.gz AWTKQDVGVDKTEK-GFCCVEGCSA-N 1 1 275.421 3.148 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H](C)[C@H](C)C1 ZINC001231616625 818138809 /nfs/dbraw/zinc/13/88/09/818138809.db2.gz ISBGZDKQLGNOHR-UONOGXRCSA-N 1 1 272.392 3.435 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCCCC23COC3)c1 ZINC001231623715 818139491 /nfs/dbraw/zinc/13/94/91/818139491.db2.gz RINYNZJTXLJFBR-UHFFFAOYSA-N 1 1 273.376 3.006 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCCCC23COC3)c1 ZINC001231623715 818139493 /nfs/dbraw/zinc/13/94/93/818139493.db2.gz RINYNZJTXLJFBR-UHFFFAOYSA-N 1 1 273.376 3.006 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@H](OC(C)C)C2)c1 ZINC001231624824 818140277 /nfs/dbraw/zinc/14/02/77/818140277.db2.gz XNKDUKZPUSWUQT-KRWDZBQOSA-N 1 1 275.392 3.251 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CC[C@@H](F)C(F)(F)CC2)c1 ZINC001231656762 818149978 /nfs/dbraw/zinc/14/99/78/818149978.db2.gz QVUXMRZEKWVMAY-CQSZACIVSA-N 1 1 267.294 3.237 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CCOC[C@@H]2C2CCCCC2)c1 ZINC001231660502 818152460 /nfs/dbraw/zinc/15/24/60/818152460.db2.gz HHOHJYJIQLEGFY-LJQANCHMSA-N 1 1 283.415 3.449 20 30 CGEDMO C[C@H]1C[C@@H](CF)[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC001231816996 818184404 /nfs/dbraw/zinc/18/44/04/818184404.db2.gz ULIJJDXUNHQAKA-YOEHRIQHSA-N 1 1 289.398 3.216 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@@H+](CC2CC2)C2CC2)cc1 ZINC001231821161 818184593 /nfs/dbraw/zinc/18/45/93/818184593.db2.gz RGBQEZJBCICQAY-UHFFFAOYSA-N 1 1 283.419 3.411 20 30 CGEDMO CCCOc1ncccc1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001231864388 818192075 /nfs/dbraw/zinc/19/20/75/818192075.db2.gz OSEBGKVHDUOWGM-MKZZRHPPSA-N 1 1 285.391 3.137 20 30 CGEDMO CCCOc1ncccc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001231864388 818192078 /nfs/dbraw/zinc/19/20/78/818192078.db2.gz OSEBGKVHDUOWGM-MKZZRHPPSA-N 1 1 285.391 3.137 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2c[nH]c3c2cccc3OC)C1 ZINC001231899868 818207258 /nfs/dbraw/zinc/20/72/58/818207258.db2.gz WIJXCNPWDFZOPX-CYBMUJFWSA-N 1 1 268.360 3.022 20 30 CGEDMO Cc1cc(C[N@H+](C)Cc2cccc(C#N)c2)cnc1F ZINC001231927942 818213619 /nfs/dbraw/zinc/21/36/19/818213619.db2.gz AHCKYHRGBCKHPQ-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO Cc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)cnc1F ZINC001231927942 818213625 /nfs/dbraw/zinc/21/36/25/818213625.db2.gz AHCKYHRGBCKHPQ-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO CC[N@H+]1CCN(Cc2ccc(C#N)c(Cl)c2)C(C)(C)C1 ZINC001232117534 818260658 /nfs/dbraw/zinc/26/06/58/818260658.db2.gz AEGWXZYFYWFFBL-UHFFFAOYSA-N 1 1 291.826 3.128 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1ccc(O)c2ncccc12 ZINC001232278409 818302263 /nfs/dbraw/zinc/30/22/63/818302263.db2.gz DTNKOWYBNBRDHU-UHFFFAOYSA-N 1 1 283.375 3.456 20 30 CGEDMO Cc1ccc(C[N@H+](C)Cc2cc(C#N)ccn2)cc1C ZINC001232481958 818366898 /nfs/dbraw/zinc/36/68/98/818366898.db2.gz MVUJPVXETQHVDQ-UHFFFAOYSA-N 1 1 265.360 3.202 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cccc3c2CCCC3)C1 ZINC001232638516 818408623 /nfs/dbraw/zinc/40/86/23/818408623.db2.gz KPCBTMSAEHNDCQ-HNNXBMFYSA-N 1 1 253.389 3.411 20 30 CGEDMO COc1ccccc1[C@H](C)[N@@H+](C)Cc1cc(C#N)ccc1[O-] ZINC001232678676 818417387 /nfs/dbraw/zinc/41/73/87/818417387.db2.gz MRETYLOWAUSFOS-ZDUSSCGKSA-N 1 1 296.370 3.465 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cccc3ncsc32)C1 ZINC001232735413 818427609 /nfs/dbraw/zinc/42/76/09/818427609.db2.gz MBUVVTQCDXHRKK-GFCCVEGCSA-N 1 1 256.374 3.142 20 30 CGEDMO Cc1c(Cl)nccc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001232754192 818434251 /nfs/dbraw/zinc/43/42/51/818434251.db2.gz WXHYGQSUXIIQLE-GFCCVEGCSA-N 1 1 263.772 3.169 20 30 CGEDMO Cc1c(Cl)nccc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001232754192 818434255 /nfs/dbraw/zinc/43/42/55/818434255.db2.gz WXHYGQSUXIIQLE-GFCCVEGCSA-N 1 1 263.772 3.169 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3C(=O)c4ccccc4[C@@H]3C2)s1 ZINC001232844547 818454330 /nfs/dbraw/zinc/45/43/30/818454330.db2.gz UEDQHLZNISITLJ-HOTGVXAUSA-N 1 1 294.379 3.032 20 30 CGEDMO CSCC[N@@H+](C)Cc1ccc(Br)c(C#N)c1 ZINC001232897244 818467383 /nfs/dbraw/zinc/46/73/83/818467383.db2.gz FOQYYAGDBHWMBQ-UHFFFAOYSA-N 1 1 299.237 3.116 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC3(CC3)C2)ccc1Br ZINC001232893294 818466590 /nfs/dbraw/zinc/46/65/90/818466590.db2.gz FJDLLMFJTYKMTJ-UHFFFAOYSA-N 1 1 291.192 3.307 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC3(CC3)C2)ccc1Br ZINC001232893294 818466594 /nfs/dbraw/zinc/46/65/94/818466594.db2.gz FJDLLMFJTYKMTJ-UHFFFAOYSA-N 1 1 291.192 3.307 20 30 CGEDMO C[C@H]1CCC[N@@H+]1Cc1ccc(Br)c(C#N)c1 ZINC001232892217 818466915 /nfs/dbraw/zinc/46/69/15/818466915.db2.gz DICDMPXGGVRTSR-JTQLQIEISA-N 1 1 279.181 3.305 20 30 CGEDMO C[C@H]1CCC[N@H+]1Cc1ccc(Br)c(C#N)c1 ZINC001232892217 818466920 /nfs/dbraw/zinc/46/69/20/818466920.db2.gz DICDMPXGGVRTSR-JTQLQIEISA-N 1 1 279.181 3.305 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@]3(C2)CCCCO3)c(C#N)c1 ZINC001232964286 818484107 /nfs/dbraw/zinc/48/41/07/818484107.db2.gz UOJCBSGQCKZUEG-KRWDZBQOSA-N 1 1 270.376 3.012 20 30 CGEDMO C#CC1CC[NH+](Cc2c(F)cc(Cl)cc2OC)CC1 ZINC001233002715 818496898 /nfs/dbraw/zinc/49/68/98/818496898.db2.gz BNRNSEBSVFGWLJ-UHFFFAOYSA-N 1 1 281.758 3.333 20 30 CGEDMO N#Cc1cc[nH]c1C[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC001233048251 818511114 /nfs/dbraw/zinc/51/11/14/818511114.db2.gz ZHDHQCDFMMKPDR-UHFFFAOYSA-N 1 1 297.377 3.480 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(N(C)C)c(C#N)c1F ZINC001233101759 818520821 /nfs/dbraw/zinc/52/08/21/818520821.db2.gz GWZDMTWPYMTTRA-UHFFFAOYSA-N 1 1 275.371 3.161 20 30 CGEDMO COC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1C ZINC001233083049 818521084 /nfs/dbraw/zinc/52/10/84/818521084.db2.gz RIZRIIFWTAZRMX-INIZCTEOSA-N 1 1 272.392 3.256 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(N(C)C)c(C#N)c2F)C1 ZINC001233102428 818522063 /nfs/dbraw/zinc/52/20/63/818522063.db2.gz ZGTCORBHFYURJU-BETUJISGSA-N 1 1 289.398 3.241 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cc3cccnc3s2)C1 ZINC001233348172 818592210 /nfs/dbraw/zinc/59/22/10/818592210.db2.gz QKIOULGFSQOIRJ-GFCCVEGCSA-N 1 1 271.389 3.422 20 30 CGEDMO CCc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2[O-])cc1 ZINC001233387144 818607275 /nfs/dbraw/zinc/60/72/75/818607275.db2.gz WOWSNYWHMXWKLM-UHFFFAOYSA-N 1 1 280.371 3.458 20 30 CGEDMO CCc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2O)cc1 ZINC001233387144 818607277 /nfs/dbraw/zinc/60/72/77/818607277.db2.gz WOWSNYWHMXWKLM-UHFFFAOYSA-N 1 1 280.371 3.458 20 30 CGEDMO CCc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2O)cc1 ZINC001233387144 818607279 /nfs/dbraw/zinc/60/72/79/818607279.db2.gz WOWSNYWHMXWKLM-UHFFFAOYSA-N 1 1 280.371 3.458 20 30 CGEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1c(Cl)cccc1C#N)C2 ZINC001233548072 818637793 /nfs/dbraw/zinc/63/77/93/818637793.db2.gz RNQITRIXMZWVFO-ITGUQSILSA-N 1 1 276.767 3.216 20 30 CGEDMO CC(C)[NH+]1CC(Oc2ccc3cccc(C#N)c3c2)C1 ZINC001233569666 818645806 /nfs/dbraw/zinc/64/58/06/818645806.db2.gz PTHSKLXYUXNOQT-UHFFFAOYSA-N 1 1 266.344 3.183 20 30 CGEDMO CC[N@H+]1CC[C@@H](Oc2cc(C(F)(F)F)ccc2C#N)C1 ZINC001233730905 818691980 /nfs/dbraw/zinc/69/19/80/818691980.db2.gz AMNWOFWGCMZVJX-GFCCVEGCSA-N 1 1 284.281 3.050 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1=CCCCCC1 ZINC001233856926 818718208 /nfs/dbraw/zinc/71/82/08/818718208.db2.gz MLYGZAGYZHAIEN-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C[N@H+]1CCc2c(cccc2O[C@H](C#N)c2cccc(F)c2)C1 ZINC001234425055 818853116 /nfs/dbraw/zinc/85/31/16/818853116.db2.gz UWBNUEDYMBJZFT-GOSISDBHSA-N 1 1 296.345 3.457 20 30 CGEDMO C=CC(C)(C)CC(=O)N(C)C[C@H]1CC[N@H+]1CCCCCF ZINC001234537720 818876874 /nfs/dbraw/zinc/87/68/74/818876874.db2.gz QHUXSYYWRWYFKP-OAHLLOKOSA-N 1 1 298.446 3.261 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCC[C@H](C)CC ZINC001234547847 818881744 /nfs/dbraw/zinc/88/17/44/818881744.db2.gz VJCQAYNVXSKXHZ-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO CCCCCCCCCN1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235008238 818979094 /nfs/dbraw/zinc/97/90/94/818979094.db2.gz SPCZDPZIBUEGHZ-SFHVURJKSA-N 1 1 296.499 3.439 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2cccc(N3CCCC3)c2)CC1 ZINC001235097241 819000751 /nfs/dbraw/zinc/00/07/51/819000751.db2.gz SWOIZYZPMKQYPA-INIZCTEOSA-N 1 1 283.419 3.412 20 30 CGEDMO CC[N@@H+](Cc1ccccn1)Cc1ccccc1CC#N ZINC001235530620 819116457 /nfs/dbraw/zinc/11/64/57/819116457.db2.gz VZGWRRKBMNNNCZ-UHFFFAOYSA-N 1 1 265.360 3.170 20 30 CGEDMO N#Cc1cc(F)c(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)c(F)c1 ZINC001235655207 819130691 /nfs/dbraw/zinc/13/06/91/819130691.db2.gz VXCLRWRUTOORIK-CHWSQXEVSA-N 1 1 276.330 3.458 20 30 CGEDMO C=CCCCCCC[N@@H+](CCCOC)[C@@H]1CCCNC1 ZINC001235808030 819172445 /nfs/dbraw/zinc/17/24/45/819172445.db2.gz RDTROIKIJFJBIP-QGZVFWFLSA-N 1 1 282.472 3.213 20 30 CGEDMO C=CCCCCCC[N@H+](CCCOC)[C@@H]1CCCNC1 ZINC001235808030 819172449 /nfs/dbraw/zinc/17/24/49/819172449.db2.gz RDTROIKIJFJBIP-QGZVFWFLSA-N 1 1 282.472 3.213 20 30 CGEDMO C=CCCCCCCCCCN(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236412837 819458639 /nfs/dbraw/zinc/45/86/39/819458639.db2.gz YVTYTJQKZVWXPM-FVQHAEBGSA-N 1 1 264.457 3.443 20 30 CGEDMO CC(C)C[N@H+](CCCc1ccc(C#N)cc1)[C@@H]1CCCNC1 ZINC001236472886 819492187 /nfs/dbraw/zinc/49/21/87/819492187.db2.gz FBZQANQBEGBUQC-LJQANCHMSA-N 1 1 299.462 3.201 20 30 CGEDMO CC(C)C[N@@H+](CCCc1ccc(C#N)cc1)[C@@H]1CCCNC1 ZINC001236472886 819492191 /nfs/dbraw/zinc/49/21/91/819492191.db2.gz FBZQANQBEGBUQC-LJQANCHMSA-N 1 1 299.462 3.201 20 30 CGEDMO N#Cc1ccc(-c2cccc(C[NH+]3CCOCC3)c2)c(F)c1 ZINC001236532315 819524912 /nfs/dbraw/zinc/52/49/12/819524912.db2.gz NVHZDEQKWMEWHS-UHFFFAOYSA-N 1 1 296.345 3.197 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cnc(OCC)c(F)c1 ZINC001236699884 819575294 /nfs/dbraw/zinc/57/52/94/819575294.db2.gz HFVNXSIXARJPLD-UHFFFAOYSA-N 1 1 252.333 3.017 20 30 CGEDMO C=CC[N@H+](Cc1c(C)cc(OC)cc1O)C(C)(C)C ZINC001236816952 819606120 /nfs/dbraw/zinc/60/61/20/819606120.db2.gz ZMPCUVMIMXRXSJ-UHFFFAOYSA-N 1 1 263.381 3.496 20 30 CGEDMO CCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(O)c1 ZINC001237044660 819649782 /nfs/dbraw/zinc/64/97/82/819649782.db2.gz RNAURTWAIDKTDM-XMQYKBBCSA-N 1 1 286.375 3.057 20 30 CGEDMO C=CC[NH+]1CCN(Cc2ccc(C3CCC3)cc2)CC1 ZINC001237111546 819670486 /nfs/dbraw/zinc/67/04/86/819670486.db2.gz SRELLKDAGYNXPZ-UHFFFAOYSA-N 1 1 270.420 3.258 20 30 CGEDMO N#Cc1cccc(CCC[N@H+](C2CCC2)[C@@H]2CCCNC2)c1 ZINC001237143944 819676244 /nfs/dbraw/zinc/67/62/44/819676244.db2.gz HVGUZWQYQQLCQP-LJQANCHMSA-N 1 1 297.446 3.097 20 30 CGEDMO N#Cc1cccc(CCC[N@@H+](C2CCC2)[C@@H]2CCCNC2)c1 ZINC001237143944 819676246 /nfs/dbraw/zinc/67/62/46/819676246.db2.gz HVGUZWQYQQLCQP-LJQANCHMSA-N 1 1 297.446 3.097 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCNC3=CCCC[C@H]32)c1 ZINC001237224277 819703375 /nfs/dbraw/zinc/70/33/75/819703375.db2.gz CXARGKZGLCQDFT-GOSISDBHSA-N 1 1 284.403 3.093 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCNC3=CCCC[C@H]32)c1 ZINC001237224277 819703382 /nfs/dbraw/zinc/70/33/82/819703382.db2.gz CXARGKZGLCQDFT-GOSISDBHSA-N 1 1 284.403 3.093 20 30 CGEDMO C[N@@H+](Cc1ccnc(C#N)c1)C12CC3CC(CC(C3)C1)C2 ZINC001237470554 819759726 /nfs/dbraw/zinc/75/97/26/819759726.db2.gz SMEDANYKXINXOW-UHFFFAOYSA-N 1 1 281.403 3.354 20 30 CGEDMO CO[C@H]1CCC[N@@H+](Cc2cn(C)c3ccc(C#N)cc23)CC1 ZINC001237473926 819759771 /nfs/dbraw/zinc/75/97/71/819759771.db2.gz ZIEKQWWQHJILJK-INIZCTEOSA-N 1 1 297.402 3.051 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H](F)CC2)c(F)cc1F ZINC001237524751 819770609 /nfs/dbraw/zinc/77/06/09/819770609.db2.gz MFBMSQREVJYSQC-GFCCVEGCSA-N 1 1 268.282 3.160 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H](F)CC2)c(F)cc1F ZINC001237524751 819770615 /nfs/dbraw/zinc/77/06/15/819770615.db2.gz MFBMSQREVJYSQC-GFCCVEGCSA-N 1 1 268.282 3.160 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2cc(C#N)c(F)cc2F)C2(CC2)C1 ZINC001237529157 819772338 /nfs/dbraw/zinc/77/23/38/819772338.db2.gz GNQRPHXKHUVCMJ-JTQLQIEISA-N 1 1 262.303 3.211 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)c(F)cc2F)C2(CC2)C1 ZINC001237529157 819772341 /nfs/dbraw/zinc/77/23/41/819772341.db2.gz GNQRPHXKHUVCMJ-JTQLQIEISA-N 1 1 262.303 3.211 20 30 CGEDMO C[N@@H+](CCC1CC1)Cc1cc(C#N)c(F)cc1F ZINC001237530796 819772402 /nfs/dbraw/zinc/77/24/02/819772402.db2.gz RDSYDHTUCQEVLS-UHFFFAOYSA-N 1 1 250.292 3.068 20 30 CGEDMO C[C@H]1C[N@H+](Cc2cc(C#N)c(F)cc2F)C2(CC2)C1 ZINC001237529159 819772457 /nfs/dbraw/zinc/77/24/57/819772457.db2.gz GNQRPHXKHUVCMJ-SNVBAGLBSA-N 1 1 262.303 3.211 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cc(C#N)c(F)cc2F)C2(CC2)C1 ZINC001237529159 819772462 /nfs/dbraw/zinc/77/24/62/819772462.db2.gz GNQRPHXKHUVCMJ-SNVBAGLBSA-N 1 1 262.303 3.211 20 30 CGEDMO COCC[C@H]1CCCC[N@H+]1Cc1cc(C#N)c(F)cc1F ZINC001237526907 819772873 /nfs/dbraw/zinc/77/28/73/819772873.db2.gz SAKRKCVIPZIYJW-CQSZACIVSA-N 1 1 294.345 3.227 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001237666752 819804979 /nfs/dbraw/zinc/80/49/79/819804979.db2.gz USRMZDWRZJWDNH-UHFFFAOYSA-N 1 1 251.329 3.124 20 30 CGEDMO CC(C)[N@H+]1CCN(Cc2cc(Cl)cc(C#N)c2)C[C@@H]1C ZINC001237755483 819836877 /nfs/dbraw/zinc/83/68/77/819836877.db2.gz PJDMVDQWVMCOAS-ZDUSSCGKSA-N 1 1 291.826 3.126 20 30 CGEDMO CC[N@@H+](Cc1cc(Cl)cc(C#N)c1)C1CCOCC1 ZINC001237756712 819838622 /nfs/dbraw/zinc/83/86/22/819838622.db2.gz MJXOMVUPQRSXGY-UHFFFAOYSA-N 1 1 278.783 3.213 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)CC[C@]1(C)O ZINC001238079587 819926297 /nfs/dbraw/zinc/92/62/97/819926297.db2.gz DMYFNVKNNQRVCU-LRDDRELGSA-N 1 1 292.810 3.195 20 30 CGEDMO COc1cc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)ccc1C#N ZINC001238410403 819988195 /nfs/dbraw/zinc/98/81/95/819988195.db2.gz PRYGHHUVEFKTEC-GDBMZVCRSA-N 1 1 270.376 3.189 20 30 CGEDMO C=CC[N@H+](Cc1cnc(F)c(OC)c1)C(C)(C)C ZINC001238461785 820009908 /nfs/dbraw/zinc/00/99/08/820009908.db2.gz IEDHZATWYFVOBH-UHFFFAOYSA-N 1 1 252.333 3.016 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cnc(F)c(OC(C)C)c1 ZINC001238602282 820059201 /nfs/dbraw/zinc/05/92/01/820059201.db2.gz HZHQEINOUDLTLO-UHFFFAOYSA-N 1 1 266.360 3.406 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cnc(C3CC3)c(C)c2)C1 ZINC001238629263 820067481 /nfs/dbraw/zinc/06/74/81/820067481.db2.gz WDJOKWSHHCWUOA-CQSZACIVSA-N 1 1 254.377 3.113 20 30 CGEDMO C#CC[N@H+](C)Cc1cccc(-c2ccc(Cl)cn2)c1 ZINC001238636016 820068867 /nfs/dbraw/zinc/06/88/67/820068867.db2.gz AMLUUVYEWSJVIP-UHFFFAOYSA-N 1 1 270.763 3.467 20 30 CGEDMO CC[N@H+](CCC#N)Cc1cc(OC)ccc1-c1ccncc1 ZINC001238654261 820072102 /nfs/dbraw/zinc/07/21/02/820072102.db2.gz REVIWZNCUCVDNM-UHFFFAOYSA-N 1 1 295.386 3.493 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1cc(OC)ccc1-c1ccncc1 ZINC001238654261 820072112 /nfs/dbraw/zinc/07/21/12/820072112.db2.gz REVIWZNCUCVDNM-UHFFFAOYSA-N 1 1 295.386 3.493 20 30 CGEDMO C=CC[N@@H+](C)Cc1ccc(F)c(F)c1OC(C)C ZINC001238749679 820106079 /nfs/dbraw/zinc/10/60/79/820106079.db2.gz FVQIUSVDRZLWPN-UHFFFAOYSA-N 1 1 255.308 3.370 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(F)c(F)c1OC(C)C ZINC001238749679 820106082 /nfs/dbraw/zinc/10/60/82/820106082.db2.gz FVQIUSVDRZLWPN-UHFFFAOYSA-N 1 1 255.308 3.370 20 30 CGEDMO CCc1cc(C[N@@H+](C)Cc2ccc(C)nc2)ccc1C#N ZINC001238770260 820112825 /nfs/dbraw/zinc/11/28/25/820112825.db2.gz ZYNDRVZLUFXDHG-UHFFFAOYSA-N 1 1 279.387 3.456 20 30 CGEDMO CCO[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(CC)c2)C1 ZINC001238774330 820115331 /nfs/dbraw/zinc/11/53/31/820115331.db2.gz IBOHJGAHRVBRBJ-QGZVFWFLSA-N 1 1 272.392 3.122 20 30 CGEDMO CCc1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)ccc1C#N ZINC001238778484 820116536 /nfs/dbraw/zinc/11/65/36/820116536.db2.gz NPDNIBXZBKJLAQ-GJWQZFMSSA-N 1 1 279.387 3.387 20 30 CGEDMO N#CCc1ccc(C2=CCC[N@@H+](Cc3ccccc3)C2)nc1 ZINC001240385418 821009331 /nfs/dbraw/zinc/00/93/31/821009331.db2.gz RFROFPSGVHXOBG-UHFFFAOYSA-N 1 1 289.382 3.437 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1-c1cccc(CC#N)c1 ZINC001241244238 821666214 /nfs/dbraw/zinc/66/62/14/821666214.db2.gz YQPPOPUPNYIENO-UHFFFAOYSA-N 1 1 251.333 3.189 20 30 CGEDMO COc1cc(C#N)ccc1-c1ccc2c(c1)C[N@H+](C)CC2 ZINC001241411973 821806686 /nfs/dbraw/zinc/80/66/86/821806686.db2.gz HPUMPBNFZPCIEI-UHFFFAOYSA-N 1 1 278.355 3.222 20 30 CGEDMO CC[N@H+]1CCc2cc(-c3cnc(C#N)c(C)c3)ccc2C1 ZINC001242355763 822964326 /nfs/dbraw/zinc/96/43/26/822964326.db2.gz UYSQVDFLRVQFNZ-UHFFFAOYSA-N 1 1 277.371 3.307 20 30 CGEDMO C[N@H+]1CC[C@@H](c2ccc(-c3ccc(O)c(C#N)c3)cc2)C1 ZINC001242566359 823036590 /nfs/dbraw/zinc/03/65/90/823036590.db2.gz VPNKKIIDCBUZCU-MRXNPFEDSA-N 1 1 278.355 3.350 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001338902046 936337978 /nfs/dbraw/zinc/33/79/78/936337978.db2.gz JPKDQKXPLMRSAB-RDJZCZTQSA-N 1 1 286.419 3.122 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001338902045 936338287 /nfs/dbraw/zinc/33/82/87/936338287.db2.gz JPKDQKXPLMRSAB-NVXWUHKLSA-N 1 1 286.419 3.122 20 30 CGEDMO C=CCn1cnn(C[N@H+]2CCC[C@H]2[C@H](C)CCC)c1=S ZINC001340590749 936408577 /nfs/dbraw/zinc/40/85/77/936408577.db2.gz UNAOPITTXVYQMX-KGLIPLIRSA-N 1 1 294.468 3.458 20 30 CGEDMO C=CCn1cnn(C[N@@H+]2CCC[C@H]2[C@H](C)CCC)c1=S ZINC001340590749 936408580 /nfs/dbraw/zinc/40/85/80/936408580.db2.gz UNAOPITTXVYQMX-KGLIPLIRSA-N 1 1 294.468 3.458 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]1CNc1cccc(C)n1 ZINC001340940712 936420958 /nfs/dbraw/zinc/42/09/58/936420958.db2.gz TYUYOJQIDVNKAH-OAHLLOKOSA-N 1 1 259.397 3.233 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cccc(CCC)c2)C1 ZINC001342973506 936486018 /nfs/dbraw/zinc/48/60/18/936486018.db2.gz YIHQNLGOIWPWQD-QGZVFWFLSA-N 1 1 259.393 3.416 20 30 CGEDMO C#CC[N@H+](CC1CC1)[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC001345030404 936797913 /nfs/dbraw/zinc/79/79/13/936797913.db2.gz RGEOIPPZZXSFGL-LBPRGKRZSA-N 1 1 260.381 3.378 20 30 CGEDMO C#CC[N@@H+](CC1CC1)[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC001345030404 936797914 /nfs/dbraw/zinc/79/79/14/936797914.db2.gz RGEOIPPZZXSFGL-LBPRGKRZSA-N 1 1 260.381 3.378 20 30 CGEDMO C=C(CC)C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC001347018108 936867565 /nfs/dbraw/zinc/86/75/65/936867565.db2.gz HYCNBKQMGWIOCN-UHFFFAOYSA-N 1 1 266.772 3.306 20 30 CGEDMO CN(C)c1cccc(Cl)c1C=[NH+]OC1CCC1 ZINC001347423064 936883854 /nfs/dbraw/zinc/88/38/54/936883854.db2.gz XBMYPFUOQMZNEG-UHFFFAOYSA-N 1 1 252.745 3.309 20 30 CGEDMO C#CCOCC[N@H+]1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC001350364555 936989646 /nfs/dbraw/zinc/98/96/46/936989646.db2.gz MTSBESDCNLIJAC-ROUUACIJSA-N 1 1 269.388 3.038 20 30 CGEDMO C=CC1(CC(=O)N2CCC[N@H+]3CCC[C@H]3C2)CCCCC1 ZINC001351542555 937019633 /nfs/dbraw/zinc/01/96/33/937019633.db2.gz ILDOPIUQCVBNMD-INIZCTEOSA-N 1 1 290.451 3.210 20 30 CGEDMO CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](CC)CCC)C1 ZINC001480083716 937020184 /nfs/dbraw/zinc/02/01/84/937020184.db2.gz CYCOLGHLUZYHIK-IRXDYDNUSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[N@@H+](C)CCCC1CCCC1 ZINC001480899993 926761351 /nfs/dbraw/zinc/76/13/51/926761351.db2.gz WCFJVSNTTBVLJV-UHFFFAOYSA-N 1 1 280.456 3.217 20 30 CGEDMO N#Cc1ccc(CCNc2ccc3[nH]c[nH+]c3c2)cc1 ZINC001167679217 926828560 /nfs/dbraw/zinc/82/85/60/926828560.db2.gz KEFVDYXOEZUINE-UHFFFAOYSA-N 1 1 262.316 3.089 20 30 CGEDMO N#CC1(C[N@@H+]2CCC[C@H](c3nc4c(s3)CCC4)C2)CC1 ZINC001354929660 937116625 /nfs/dbraw/zinc/11/66/25/937116625.db2.gz XHVURYOXUJWFRU-LBPRGKRZSA-N 1 1 287.432 3.115 20 30 CGEDMO N#CC1(C[N@H+]2CCC[C@H](c3nc4c(s3)CCC4)C2)CC1 ZINC001354929660 937116627 /nfs/dbraw/zinc/11/66/27/937116627.db2.gz XHVURYOXUJWFRU-LBPRGKRZSA-N 1 1 287.432 3.115 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)c1c(C)cccc1F ZINC001481020459 926860862 /nfs/dbraw/zinc/86/08/62/926860862.db2.gz NYHKQRDZZQOOTB-UHFFFAOYSA-N 1 1 292.398 3.152 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@H]1CCC[N@@H+]1CC1CC(C)C1 ZINC001481042240 926870061 /nfs/dbraw/zinc/87/00/61/926870061.db2.gz PLRMOXCDEZOOCZ-UYSNPLJNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@H]1C=CCCC1 ZINC001481045014 926872805 /nfs/dbraw/zinc/87/28/05/926872805.db2.gz GLHKSRZPERMTDY-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)C1(CF)CCC1 ZINC001481057255 926876290 /nfs/dbraw/zinc/87/62/90/926876290.db2.gz GDLUZQCLFRABTJ-GJZGRUSLSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](CNC(=O)C2(CCC)CC2)C1 ZINC001481109596 926887808 /nfs/dbraw/zinc/88/78/08/926887808.db2.gz BEIIFNAXNPFELZ-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CC[N@H+](CCC(C)C)C2)CCC1 ZINC001481108867 926888482 /nfs/dbraw/zinc/88/84/82/926888482.db2.gz GRRZRDDVRPWUHC-INIZCTEOSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C1CCC(C(=O)NCC[C@@H]2CC[N@H+](CCCC)C2)CC1 ZINC001481447375 926987432 /nfs/dbraw/zinc/98/74/32/926987432.db2.gz PZEIOALBBRJQIC-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](CCNC(=O)C2(CC=C)CCCC2)C1 ZINC001481465064 926993993 /nfs/dbraw/zinc/99/39/93/926993993.db2.gz QFSFZDUHSVFTTA-MRXNPFEDSA-N 1 1 290.451 3.137 20 30 CGEDMO C#CC[N@H+](C)C[C@H]1CCN(C(=O)C[C@H](CC)CCCC)C1 ZINC001481493130 927004542 /nfs/dbraw/zinc/00/45/42/927004542.db2.gz SRXKOHPXSOVWCU-IAGOWNOFSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(C)C[N@@H+](C)CC1CCN(C(=O)C2(F)CCCC2)CC1 ZINC001481515788 927011032 /nfs/dbraw/zinc/01/10/32/927011032.db2.gz CDJOBQUPFDTVCW-UHFFFAOYSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)C[C@H](C=C)c2ccccc2)C1 ZINC001481530626 927015446 /nfs/dbraw/zinc/01/54/46/927015446.db2.gz LWDPAWKGJMGMPC-FUHWJXTLSA-N 1 1 298.430 3.113 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1c(C)cnn1COC ZINC001355215212 937129873 /nfs/dbraw/zinc/12/98/73/937129873.db2.gz SVOMRLNDVKLKQZ-UHFFFAOYSA-N 1 1 299.418 3.026 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C(C)C ZINC001481678034 927053568 /nfs/dbraw/zinc/05/35/68/927053568.db2.gz GNQUKTJZYRVTQR-IKGGRYGDSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)CCC ZINC001481677049 927055623 /nfs/dbraw/zinc/05/56/23/927055623.db2.gz VOAYIJQFDVUBHR-JYJNAYRXSA-N 1 1 292.467 3.453 20 30 CGEDMO C=CCC(CC=C)C(=O)N(CC)[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001481769288 927084535 /nfs/dbraw/zinc/08/45/35/927084535.db2.gz QTIIIXRLFJMEQB-QGZVFWFLSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)C2(CCF)CC2)C1 ZINC001481770537 927085501 /nfs/dbraw/zinc/08/55/01/927085501.db2.gz FLQDTSUBINUCIV-OAHLLOKOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC1(C(=O)N[C@@H](C)C[N@H+](C)C[C@@H](C)CC)CCC1 ZINC001498377053 927139051 /nfs/dbraw/zinc/13/90/51/927139051.db2.gz UUJUFOQXWRWQDE-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)C(C)(C)C(=C)C ZINC001482617387 927325717 /nfs/dbraw/zinc/32/57/17/927325717.db2.gz DHWNRNNQXIOYFL-HNNXBMFYSA-N 1 1 280.456 3.334 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CC(C)(C)C)CC[C@@H]21 ZINC001482656466 927338132 /nfs/dbraw/zinc/33/81/32/927338132.db2.gz WRHCNKCDPKDJBA-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)C[C@@H]1CCO[C@@H]1C ZINC001473137459 937164643 /nfs/dbraw/zinc/16/46/43/937164643.db2.gz WFNAPIIBFXXUQK-WBVHZDCISA-N 1 1 259.393 3.142 20 30 CGEDMO C#CC[N@H+](CC#CC)CCO[C@H](CC)c1ccccc1 ZINC001473189826 937165400 /nfs/dbraw/zinc/16/54/00/937165400.db2.gz HGUNBOLJVMYGOB-GOSISDBHSA-N 1 1 269.388 3.113 20 30 CGEDMO C#CC[N@@H+](CC#CC)CCO[C@H](CC)c1ccccc1 ZINC001473189826 937165403 /nfs/dbraw/zinc/16/54/03/937165403.db2.gz HGUNBOLJVMYGOB-GOSISDBHSA-N 1 1 269.388 3.113 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H](C)C[N@H+](C)C[C@@H](C)CC ZINC001483341447 927486241 /nfs/dbraw/zinc/48/62/41/927486241.db2.gz CRZMFNAZKGSANU-KBPBESRZSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)C1(CC(C)C)CCC1 ZINC001483365608 927489689 /nfs/dbraw/zinc/48/96/89/927489689.db2.gz UWTZSPASZQLDSM-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(C)cc1 ZINC001483653221 927561165 /nfs/dbraw/zinc/56/11/65/927561165.db2.gz MQVWFWPJJDXBCP-QGZVFWFLSA-N 1 1 286.419 3.042 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC ZINC001483806526 927627757 /nfs/dbraw/zinc/62/77/57/927627757.db2.gz CJWGEOPMMFJEBW-CVEARBPZSA-N 1 1 280.456 3.432 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@]2(CCN(C(=O)C3CCC3)C2)C1 ZINC001483827899 927631606 /nfs/dbraw/zinc/63/16/06/927631606.db2.gz FXTOXVKUMYJSOY-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccoc2)C1 ZINC001484028941 927664825 /nfs/dbraw/zinc/66/48/25/927664825.db2.gz GDRSKEWRRZAINV-QGZVFWFLSA-N 1 1 290.407 3.220 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@](C)(CNC(=O)CC(C)C)C1 ZINC001484151289 927682972 /nfs/dbraw/zinc/68/29/72/927682972.db2.gz VMBXNUKMINTDEL-HNNXBMFYSA-N 1 1 286.847 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)CC(C)C)C1 ZINC001484151289 927682981 /nfs/dbraw/zinc/68/29/81/927682981.db2.gz VMBXNUKMINTDEL-HNNXBMFYSA-N 1 1 286.847 3.003 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H]2CCCN(C(=O)CC)[C@@H]2C1 ZINC001484467586 927709929 /nfs/dbraw/zinc/70/99/29/927709929.db2.gz LVQRYKLOOYITIE-JKSUJKDBSA-N 1 1 280.456 3.290 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCC1CC1 ZINC001484464310 927710257 /nfs/dbraw/zinc/71/02/57/927710257.db2.gz UMUGGWNKPSAPHE-IRXDYDNUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)CCC(=O)Nc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC001358112172 937188164 /nfs/dbraw/zinc/18/81/64/937188164.db2.gz RUBXNHHPGWHYBJ-UHFFFAOYSA-N 1 1 293.436 3.204 20 30 CGEDMO C=C(C)CCC(=O)Nc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC001358112172 937188166 /nfs/dbraw/zinc/18/81/66/937188166.db2.gz RUBXNHHPGWHYBJ-UHFFFAOYSA-N 1 1 293.436 3.204 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)CCC)CC1 ZINC001484712002 927740044 /nfs/dbraw/zinc/74/00/44/927740044.db2.gz LOWPOSZNJUFXLQ-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1CCC[N@@H+](C/C=C/Cl)CC1 ZINC001484720877 927744912 /nfs/dbraw/zinc/74/49/12/927744912.db2.gz WJGIFCDQKSLOJV-VOTDVEDPSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[C@H](F)C1 ZINC001484741749 927747316 /nfs/dbraw/zinc/74/73/16/927747316.db2.gz BXYDIQAVNBXDDH-CVEARBPZSA-N 1 1 298.446 3.261 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@@H](C)[C@@H](C)CC ZINC001484761438 927753280 /nfs/dbraw/zinc/75/32/80/927753280.db2.gz GDPAGGGBYFBXBI-GJZGRUSLSA-N 1 1 268.445 3.025 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC(C)C)C2 ZINC001484826255 927760381 /nfs/dbraw/zinc/76/03/81/927760381.db2.gz SWXGZFJITPYAGM-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C#CCCCC(=O)NCc1ccc2c(c1)C[N@@H+](CCCC)C2 ZINC001484873677 927763899 /nfs/dbraw/zinc/76/38/99/927763899.db2.gz PSWHHZSUYXHBBX-UHFFFAOYSA-N 1 1 298.430 3.222 20 30 CGEDMO C=CCC1(C(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)CCCC1 ZINC001358287589 937192991 /nfs/dbraw/zinc/19/29/91/937192991.db2.gz OKOBQAKFWIVGPN-QGZVFWFLSA-N 1 1 298.430 3.296 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC(C[N@@H+](CC)CCF)CC1 ZINC001485031011 927788381 /nfs/dbraw/zinc/78/83/81/927788381.db2.gz HIBQRFUYOZGDLW-UHFFFAOYSA-N 1 1 298.446 3.119 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)/C(C)=C\CC ZINC001485051988 927797349 /nfs/dbraw/zinc/79/73/49/927797349.db2.gz SMTVXQHXTUKCQH-DDITZMBXSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)c1cc2occc2s1 ZINC001485350346 927850897 /nfs/dbraw/zinc/85/08/97/927850897.db2.gz NRZDCFXJVKVCRV-NSHDSACASA-N 1 1 292.404 3.121 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)C1(CC)CCC1 ZINC001485341694 927853695 /nfs/dbraw/zinc/85/36/95/927853695.db2.gz LTJPHEYMETWRBO-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@](C)(CC)CCC ZINC001485485861 927883067 /nfs/dbraw/zinc/88/30/67/927883067.db2.gz SPJAJCSALLBGIB-FUHWJXTLSA-N 1 1 292.467 3.197 20 30 CGEDMO CCC(CC)C[N@H+]1CCC[C@H](NC(=O)C#CC(C)C)[C@H]1C ZINC001486174333 927995784 /nfs/dbraw/zinc/99/57/84/927995784.db2.gz UOGSBJUTRBFPLA-WBVHZDCISA-N 1 1 292.467 3.051 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)[C@H]1CC=CCC1)C(C)C ZINC001486362135 928006495 /nfs/dbraw/zinc/00/64/95/928006495.db2.gz GARYILSVLOVTKE-INIZCTEOSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CCSCC ZINC001230890437 928075978 /nfs/dbraw/zinc/07/59/78/928075978.db2.gz UERJLZNUZKCLDJ-CABCVRRESA-N 1 1 298.496 3.017 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCC[N@H+](CC)Cc1ccsc1 ZINC001493014250 928086648 /nfs/dbraw/zinc/08/66/48/928086648.db2.gz CIITVSICEDFIRW-INIZCTEOSA-N 1 1 294.464 3.289 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)C2CC(OC(C)(C)C)C2)cc1 ZINC001560892427 937238085 /nfs/dbraw/zinc/23/80/85/937238085.db2.gz NQFXZUVFTJICMG-UHFFFAOYSA-N 1 1 271.404 3.446 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]([N@H+](C)CCCC(C)C)C1 ZINC001480722559 937236369 /nfs/dbraw/zinc/23/63/69/937236369.db2.gz RMHBUYREKUTHPK-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)C[C@H](C)CC)C1 ZINC001480731489 937236504 /nfs/dbraw/zinc/23/65/04/937236504.db2.gz VTCQFIANKKHVBX-HUUCEWRRSA-N 1 1 280.456 3.168 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)C[C@H](CC)CCCC)[C@H]1C ZINC001489280910 928323716 /nfs/dbraw/zinc/32/37/16/928323716.db2.gz KFAUGHSGMDBFMP-ZACQAIPSSA-N 1 1 292.467 3.195 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC1(C)C ZINC001489327962 928326858 /nfs/dbraw/zinc/32/68/58/928326858.db2.gz OCAHNPSNEAXKAL-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@]1(C)CCC(C)=C(C)C1 ZINC001493161759 928333324 /nfs/dbraw/zinc/33/33/24/928333324.db2.gz NKMYXZDZPLSDRR-FUHWJXTLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+](C)CCCNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001490196514 928338196 /nfs/dbraw/zinc/33/81/96/928338196.db2.gz YTMMYXFFSLVRQK-INIZCTEOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(Cl)C[N@@H+](CCCNC(=O)[C@]1(C)C=CCC1)C1CC1 ZINC001490383333 928353313 /nfs/dbraw/zinc/35/33/13/928353313.db2.gz NIBZDGPKRZMIMX-MRXNPFEDSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@H+](CCCNC(=O)[C@]1(C)C=CCC1)C1CC1 ZINC001490383333 928353319 /nfs/dbraw/zinc/35/33/19/928353319.db2.gz NIBZDGPKRZMIMX-MRXNPFEDSA-N 1 1 296.842 3.066 20 30 CGEDMO CC#CC[N@H+](CC)CCCNC(=O)C[C@H](CC)C(C)(C)C ZINC001490355672 928354807 /nfs/dbraw/zinc/35/48/07/928354807.db2.gz VZIBEGVLBIZOAV-INIZCTEOSA-N 1 1 294.483 3.300 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)CC2(C)CC2)C1 ZINC001490442425 928357708 /nfs/dbraw/zinc/35/77/08/928357708.db2.gz DBKNXMPFRIEMOJ-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C(CCC)CCC)C1 ZINC001490448935 928358310 /nfs/dbraw/zinc/35/83/10/928358310.db2.gz IGIMUTHTJQIYQR-MRXNPFEDSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2cscc2C)C1 ZINC001490531126 928366529 /nfs/dbraw/zinc/36/65/29/928366529.db2.gz WGTKDSGVEVSIIZ-KGLIPLIRSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)c2coc(C)c2)C1 ZINC001490537085 928367540 /nfs/dbraw/zinc/36/75/40/928367540.db2.gz DAUNYNYLASVTOT-MRXNPFEDSA-N 1 1 290.407 3.139 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001490559184 928372646 /nfs/dbraw/zinc/37/26/46/928372646.db2.gz SPAJVWUWLYAXJT-AEFFLSMTSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+](C)CCNC(=O)c1ccc(C2=CCCC2)cc1 ZINC001492902676 937243007 /nfs/dbraw/zinc/24/30/07/937243007.db2.gz WVVODMCGYTWJPM-UHFFFAOYSA-N 1 1 298.430 3.492 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)[C@H]1C[C@]1(C)C(C)C ZINC001320067801 928486437 /nfs/dbraw/zinc/48/64/37/928486437.db2.gz VSFJVAKURFOAOD-NVXWUHKLSA-N 1 1 280.456 3.025 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)CC2(C)CCCC2)C1 ZINC001493198960 928605440 /nfs/dbraw/zinc/60/54/40/928605440.db2.gz GRSFWPHJSHMOJU-AWEZNQCLSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)CC2(C)CCCC2)C1 ZINC001493198960 928605454 /nfs/dbraw/zinc/60/54/54/928605454.db2.gz GRSFWPHJSHMOJU-AWEZNQCLSA-N 1 1 298.858 3.147 20 30 CGEDMO C#CCCCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC ZINC001490967900 928822269 /nfs/dbraw/zinc/82/22/69/928822269.db2.gz JTZUGAXHWVWXAX-ALOPSCKCSA-N 1 1 290.451 3.092 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)C(C)=C2CCC2)C1 ZINC001491106052 928829597 /nfs/dbraw/zinc/82/95/97/928829597.db2.gz ZCRDWMDRFCNUEC-CQSZACIVSA-N 1 1 296.842 3.068 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)C(C)=C2CCC2)C1 ZINC001491106052 928829608 /nfs/dbraw/zinc/82/96/08/928829608.db2.gz ZCRDWMDRFCNUEC-CQSZACIVSA-N 1 1 296.842 3.068 20 30 CGEDMO CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C)C(CC)CC ZINC001491213878 928845277 /nfs/dbraw/zinc/84/52/77/928845277.db2.gz LACQHTCUCADWBL-WBVHZDCISA-N 1 1 292.467 3.053 20 30 CGEDMO Cc1[nH]c(CNc2ncc(C#N)c3ccsc32)c(C)[nH+]1 ZINC001458616901 937470406 /nfs/dbraw/zinc/47/04/06/937470406.db2.gz OSDARIRFHZXXHZ-UHFFFAOYSA-N 1 1 283.360 3.120 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2C(C)C)cc1 ZINC001459564893 937492020 /nfs/dbraw/zinc/49/20/20/937492020.db2.gz PIWFFSCYLCQAQO-KRWDZBQOSA-N 1 1 284.403 3.117 20 30 CGEDMO C=CC[C@H](C(=O)OC)[N@H+]1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC001459635942 937494896 /nfs/dbraw/zinc/49/48/96/937494896.db2.gz SONFKSMNKLAPIS-USXIJHARSA-N 1 1 287.403 3.057 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC001459768239 937499855 /nfs/dbraw/zinc/49/98/55/937499855.db2.gz GARVVGJSFMMOLR-RHSMWYFYSA-N 1 1 257.377 3.125 20 30 CGEDMO C=CC[C@H]([NH2+][C@H]1CCC[C@@H]1CCCC)C(=O)OC ZINC001459906675 937505938 /nfs/dbraw/zinc/50/59/38/937505938.db2.gz WLVQVGOCARGBLF-IHRRRGAJSA-N 1 1 253.386 3.053 20 30 CGEDMO CCCCCCC[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1C ZINC001459920400 937506462 /nfs/dbraw/zinc/50/64/62/937506462.db2.gz FYLXURGCIAYGIN-KRWDZBQOSA-N 1 1 288.435 3.438 20 30 CGEDMO CCCCCCC[N@H+]1CCNC(=O)[C@@H]1c1ccccc1C ZINC001459920400 937506463 /nfs/dbraw/zinc/50/64/63/937506463.db2.gz FYLXURGCIAYGIN-KRWDZBQOSA-N 1 1 288.435 3.438 20 30 CGEDMO C#CCCCCCC[N@H+]1CCOCC2(CCCC2)C1 ZINC001459972196 937509184 /nfs/dbraw/zinc/50/91/84/937509184.db2.gz OJNDEGGBSHHPHK-UHFFFAOYSA-N 1 1 263.425 3.463 20 30 CGEDMO CCCCCCCC[N@@H+](C[C@@H]1CCC(=O)N1)C(C)C ZINC001460258498 937522813 /nfs/dbraw/zinc/52/28/13/937522813.db2.gz MRQHEBIFUWSXHH-HNNXBMFYSA-N 1 1 268.445 3.336 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](CCC(=O)N2CCc3ccccc32)C1 ZINC001460362650 937528551 /nfs/dbraw/zinc/52/85/51/937528551.db2.gz NLUOZMVSGUAEBO-MRXNPFEDSA-N 1 1 298.430 3.254 20 30 CGEDMO C=CC[N@H+](CCOC1CCCCCC1)[C@H](C)COC ZINC001460408135 937529750 /nfs/dbraw/zinc/52/97/50/937529750.db2.gz LLSUNJDLSXSPSM-OAHLLOKOSA-N 1 1 269.429 3.249 20 30 CGEDMO C#CC[N@@H+](C[C@@H]1CCCOC1)[C@@H]1CCCc2ccccc21 ZINC001460835176 937548147 /nfs/dbraw/zinc/54/81/47/937548147.db2.gz JICXNYIRZRYDAH-QFBILLFUSA-N 1 1 283.415 3.426 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1 ZINC001460866636 937550256 /nfs/dbraw/zinc/55/02/56/937550256.db2.gz WAXDWJSHDABHOC-LKCYJCQHSA-N 1 1 296.414 3.435 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc(F)c1 ZINC001460890636 937551148 /nfs/dbraw/zinc/55/11/48/937551148.db2.gz OOSKPZIICIDZRD-HOTGVXAUSA-N 1 1 263.356 3.290 20 30 CGEDMO C[N@@H+](Cc1c[nH]c2ccc(C#N)cc12)Cc1ccccc1O ZINC001140116081 931955657 /nfs/dbraw/zinc/95/56/57/931955657.db2.gz QNHHDDPXNMIWKH-UHFFFAOYSA-N 1 1 291.354 3.377 20 30 CGEDMO N#Cc1ccc(Cl)c(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c1 ZINC001140601702 931958614 /nfs/dbraw/zinc/95/86/14/931958614.db2.gz YZGSDGJTWXFGSP-ZDUSSCGKSA-N 1 1 282.721 3.443 20 30 CGEDMO CC(=O)C1CC[NH+](Cc2cc(C#N)ccc2Cl)CC1 ZINC001140601673 931959142 /nfs/dbraw/zinc/95/91/42/931959142.db2.gz YBRIXZDYQYGHKC-UHFFFAOYSA-N 1 1 276.767 3.013 20 30 CGEDMO Cc1[nH+]ccn1-c1ccc(Nc2cnc(C#N)c(F)c2)cc1 ZINC001203055930 931960297 /nfs/dbraw/zinc/96/02/97/931960297.db2.gz FNFQKKOGKAOLLX-UHFFFAOYSA-N 1 1 293.305 3.330 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1cccc(OC)c1Cl ZINC001460907163 937552212 /nfs/dbraw/zinc/55/22/12/937552212.db2.gz NSDQATOCIVYKPO-GFCCVEGCSA-N 1 1 251.757 3.499 20 30 CGEDMO C#C[C@@H]1CCCC[N@@H+]1Cc1nsc2ccccc21 ZINC001460918291 937552293 /nfs/dbraw/zinc/55/22/93/937552293.db2.gz PFBRRKYKXAXPSQ-GFCCVEGCSA-N 1 1 256.374 3.284 20 30 CGEDMO C#C[C@@H]1CCCC[N@H+]1Cc1nsc2ccccc21 ZINC001460918291 937552295 /nfs/dbraw/zinc/55/22/95/937552295.db2.gz PFBRRKYKXAXPSQ-GFCCVEGCSA-N 1 1 256.374 3.284 20 30 CGEDMO C#C[C@@H]1CCCC[N@@H+]1CCCc1ccccc1OC ZINC001460919292 937553344 /nfs/dbraw/zinc/55/33/44/937553344.db2.gz RDNSBFCGRKVDQB-MRXNPFEDSA-N 1 1 257.377 3.116 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCCC[C@@]12CCOC2 ZINC001460962917 937556154 /nfs/dbraw/zinc/55/61/54/937556154.db2.gz YYTHPHLSMXAURB-INIZCTEOSA-N 1 1 264.413 3.351 20 30 CGEDMO CCCCCCC[N@H+]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)OCC ZINC001460988176 937557684 /nfs/dbraw/zinc/55/76/84/937557684.db2.gz MPXIJCXKRFJSAC-ZNMIVQPWSA-N 1 1 267.413 3.373 20 30 CGEDMO N#CC1(C[C@H](O)C[N@H+]2CC=CC23CCCCC3)CCC1 ZINC001460980960 937557775 /nfs/dbraw/zinc/55/77/75/937557775.db2.gz ORJONXJDOABBOE-HNNXBMFYSA-N 1 1 274.408 3.006 20 30 CGEDMO C=CC[C@H]1CC[C@H]([NH2+]CCCN2CCC(C)CC2)C1 ZINC001461014142 937559608 /nfs/dbraw/zinc/55/96/08/937559608.db2.gz QAQREWWIYCYFNZ-IRXDYDNUSA-N 1 1 264.457 3.443 20 30 CGEDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1cc(C#N)ccc1Cl ZINC001229249814 932123911 /nfs/dbraw/zinc/12/39/11/932123911.db2.gz AIEFMEVRHBCPIF-VIKVFOODSA-N 1 1 290.794 3.321 20 30 CGEDMO C#CCOc1ccc(CNc2[nH+]c3ccccc3n2C)cc1 ZINC001461710018 937593373 /nfs/dbraw/zinc/59/33/73/937593373.db2.gz OKKCRWJEJPBYJJ-UHFFFAOYSA-N 1 1 291.354 3.197 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H](C)[C@H](C)CC)CC1 ZINC001229776845 932484872 /nfs/dbraw/zinc/48/48/72/932484872.db2.gz WTDSIMICQJMZCF-YPMHNXCESA-N 1 1 286.847 3.002 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CCCF)CC1 ZINC001230587869 932593004 /nfs/dbraw/zinc/59/30/04/932593004.db2.gz YRJFEQDEGMVDBN-MRXNPFEDSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CC1CCCC1 ZINC001230665661 932605147 /nfs/dbraw/zinc/60/51/47/932605147.db2.gz WLADEHNXCYNOAQ-WBVHZDCISA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCCC ZINC001230782299 932623047 /nfs/dbraw/zinc/62/30/47/932623047.db2.gz TVAHGQRPYLNJDU-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)C(CC)CC)C1 ZINC001491933988 932797527 /nfs/dbraw/zinc/79/75/27/932797527.db2.gz GWNDFFVGIHXWOY-DOTOQJQBSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC[N@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001492370162 932815046 /nfs/dbraw/zinc/81/50/46/932815046.db2.gz PJQMMBMPIQMZAM-OWCLPIDISA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)c1c(C)[nH]c2ccccc21 ZINC001492328779 932815204 /nfs/dbraw/zinc/81/52/04/932815204.db2.gz WAPFPXFOHFTADA-UHFFFAOYSA-N 1 1 299.418 3.104 20 30 CGEDMO C=CCC[N@H+](C)CCNC(=O)[C@@H](C)CC1CCCCC1 ZINC001492442293 932816561 /nfs/dbraw/zinc/81/65/61/932816561.db2.gz WTUJBOLNWBSZLO-HNNXBMFYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)CC(C)C)C1 ZINC001317202081 932819554 /nfs/dbraw/zinc/81/95/54/932819554.db2.gz DWQSJJGKDUKIDS-HOTGVXAUSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C1CC(C)(C(=O)NCCC[N@H+](C)CCC2CCCC2)C1 ZINC001316847740 932868212 /nfs/dbraw/zinc/86/82/12/932868212.db2.gz PBORUEQHLZTWNY-UHFFFAOYSA-N 1 1 292.467 3.361 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccccc2OCC(F)F)C1 ZINC001462382709 937636588 /nfs/dbraw/zinc/63/65/88/937636588.db2.gz GWAWZLNOZBWKRZ-CYBMUJFWSA-N 1 1 279.330 3.176 20 30 CGEDMO CCCCCCCC[NH+]1CCC(CN2CCOCC2)CC1 ZINC001307415981 932950279 /nfs/dbraw/zinc/95/02/79/932950279.db2.gz BNHXIYLXAAUHCT-UHFFFAOYSA-N 1 1 296.499 3.391 20 30 CGEDMO CCCCCCCCC[N@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC001307591038 932973182 /nfs/dbraw/zinc/97/31/82/932973182.db2.gz DEQFNQAMTJBAAX-OAHLLOKOSA-N 1 1 282.428 3.264 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)Cc1ccc2cc[nH]c2c1 ZINC001307728444 932993118 /nfs/dbraw/zinc/99/31/18/932993118.db2.gz BNDFCJMPVQEFOF-UHFFFAOYSA-N 1 1 271.408 3.108 20 30 CGEDMO C=CC[N@@H+](C)CCN(CC)Cc1ccc2cc[nH]c2c1 ZINC001307728444 932993120 /nfs/dbraw/zinc/99/31/20/932993120.db2.gz BNDFCJMPVQEFOF-UHFFFAOYSA-N 1 1 271.408 3.108 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)Cc1ccc2cc[nH]c2c1 ZINC001307728444 932993124 /nfs/dbraw/zinc/99/31/24/932993124.db2.gz BNDFCJMPVQEFOF-UHFFFAOYSA-N 1 1 271.408 3.108 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCCC[C@@H]1COC(=O)N(C)C ZINC001307754019 932997485 /nfs/dbraw/zinc/99/74/85/932997485.db2.gz UBUYJMPTRXKQNO-MRXNPFEDSA-N 1 1 294.439 3.123 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccn2)CCc2ccc(F)cc21 ZINC001307889248 933014967 /nfs/dbraw/zinc/01/49/67/933014967.db2.gz KNSVZDZQRJKTCU-CYBMUJFWSA-N 1 1 295.361 3.254 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC001307915883 933019856 /nfs/dbraw/zinc/01/98/56/933019856.db2.gz ZACZTZHIQMJBGW-JKSUJKDBSA-N 1 1 251.414 3.216 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1OC(C)C)[C@@H](C)COC ZINC001307922791 933020039 /nfs/dbraw/zinc/02/00/39/933020039.db2.gz ASTCOMFPCDYJML-HNNXBMFYSA-N 1 1 277.408 3.497 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001307915782 933020640 /nfs/dbraw/zinc/02/06/40/933020640.db2.gz XFRIJTNYSXNMAK-INIZCTEOSA-N 1 1 257.352 3.465 20 30 CGEDMO C#CC[N@H+](CC[C@H](C)OCc1ccccc1)C(C)C ZINC001308097759 933048726 /nfs/dbraw/zinc/04/87/26/933048726.db2.gz JUQYTLNTLWISEB-INIZCTEOSA-N 1 1 259.393 3.325 20 30 CGEDMO CCC[C@H]1CCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC001308136744 933054726 /nfs/dbraw/zinc/05/47/26/933054726.db2.gz USSBLYQZEYWXIY-HNNXBMFYSA-N 1 1 264.413 3.351 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1C[C@@H](O)Cc1ccc(F)cc1 ZINC001308137614 933055515 /nfs/dbraw/zinc/05/55/15/933055515.db2.gz RHNJICYLKDTUHY-SJORKVTESA-N 1 1 277.383 3.160 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc(F)c(F)c1 ZINC001308137662 933055797 /nfs/dbraw/zinc/05/57/97/933055797.db2.gz SOKYUBADTOUFBC-CJNGLKHVSA-N 1 1 281.346 3.429 20 30 CGEDMO C#C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ncco2)cc1F ZINC001308140098 933056374 /nfs/dbraw/zinc/05/63/74/933056374.db2.gz DERLMTVHGITTGW-OAHLLOKOSA-N 1 1 284.334 3.468 20 30 CGEDMO C#C[C@@H]1CCCC[N@@H+]1Cc1ccc(-c2ncco2)cc1F ZINC001308140098 933056378 /nfs/dbraw/zinc/05/63/78/933056378.db2.gz DERLMTVHGITTGW-OAHLLOKOSA-N 1 1 284.334 3.468 20 30 CGEDMO CC[N@H+](CCCC#N)Cc1nc2c(s1)C[C@H](C)CC2 ZINC001308162133 933062171 /nfs/dbraw/zinc/06/21/71/933062171.db2.gz FKRMNZVOQINQGO-GFCCVEGCSA-N 1 1 277.437 3.394 20 30 CGEDMO CC[N@@H+](CCCC#N)Cc1nc2c(s1)C[C@H](C)CC2 ZINC001308162133 933062176 /nfs/dbraw/zinc/06/21/76/933062176.db2.gz FKRMNZVOQINQGO-GFCCVEGCSA-N 1 1 277.437 3.394 20 30 CGEDMO CC[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2N(C)C)C1 ZINC001308620265 933145576 /nfs/dbraw/zinc/14/55/76/933145576.db2.gz SFXBKGDHCPKSSX-AWEZNQCLSA-N 1 1 271.408 3.246 20 30 CGEDMO C=CCC[C@H]([NH2+][C@H]1CC[C@@H]2CCC[C@@H]21)C(=O)OCC ZINC001308769984 933174016 /nfs/dbraw/zinc/17/40/16/933174016.db2.gz OUUBJQZNNJHKPO-AJNGGQMLSA-N 1 1 265.397 3.053 20 30 CGEDMO C#Cc1ccc(C[N@H+](CC(=O)OC(C)(C)C)CC2CC2)cc1 ZINC001308852088 933190379 /nfs/dbraw/zinc/19/03/79/933190379.db2.gz UQGIMNMXMNRKQS-UHFFFAOYSA-N 1 1 299.414 3.222 20 30 CGEDMO C#Cc1ccc(C[N@@H+](CC(=O)OC(C)(C)C)CC2CC2)cc1 ZINC001308852088 933190381 /nfs/dbraw/zinc/19/03/81/933190381.db2.gz UQGIMNMXMNRKQS-UHFFFAOYSA-N 1 1 299.414 3.222 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)[C@H]1CC12CCCC2 ZINC001317489235 933254773 /nfs/dbraw/zinc/25/47/73/933254773.db2.gz YHWREWLSOUGZOW-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)CCCC1CC1 ZINC001317510008 933303689 /nfs/dbraw/zinc/30/36/89/933303689.db2.gz TWMWHDNWPJCOBY-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@H+](C)CCCNC(=O)C1C[C@H](C)C[C@@H](C)C1 ZINC001316867978 933410585 /nfs/dbraw/zinc/41/05/85/933410585.db2.gz VVHMRBCCJWGBMV-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]2C[N@@H+](CCC)CC[C@H]21 ZINC001317106281 933472411 /nfs/dbraw/zinc/47/24/11/933472411.db2.gz UHHZTRDZAHKSIV-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@@H+](CC)[C@@H]2CC)CCCC1 ZINC001316741475 933477310 /nfs/dbraw/zinc/47/73/10/933477310.db2.gz MWAMQFLHJJACHJ-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CC1CC(C)(C)C1 ZINC001316804505 933483827 /nfs/dbraw/zinc/48/38/27/933483827.db2.gz OGQSLXFCUOVUTC-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)CC(C)(C)C)CC(C)(C)C1 ZINC001316808966 933485071 /nfs/dbraw/zinc/48/50/71/933485071.db2.gz ZATXBHMDDHNTSG-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](CC)CCCC)C1 ZINC001316947965 933499057 /nfs/dbraw/zinc/49/90/57/933499057.db2.gz PQRHUYPYJHGACM-IAGOWNOFSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)C2CCCCC2)C1 ZINC001316987354 933504481 /nfs/dbraw/zinc/50/44/81/933504481.db2.gz BSHQTXHGGINYDL-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)cc2C)C1 ZINC001316992930 933507141 /nfs/dbraw/zinc/50/71/41/933507141.db2.gz KDDCXNZESDJBSP-MRXNPFEDSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC2(C)C)C1 ZINC001317032677 933515952 /nfs/dbraw/zinc/51/59/52/933515952.db2.gz HCHCPWSKILKYAW-CVEARBPZSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC001317035368 933517635 /nfs/dbraw/zinc/51/76/35/933517635.db2.gz LAJGMYRXUMWVPG-SJORKVTESA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)c2cscc2C)C1 ZINC001317034446 933518003 /nfs/dbraw/zinc/51/80/03/933518003.db2.gz VHNXTCGGWXZPRJ-CQSZACIVSA-N 1 1 292.448 3.027 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)C[C@@H]1C=CCCC1 ZINC001317171320 933544110 /nfs/dbraw/zinc/54/41/10/933544110.db2.gz ADZGUSGAUKNAPX-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C[C@H]1C=CCCC1 ZINC001317171317 933544169 /nfs/dbraw/zinc/54/41/69/933544169.db2.gz ADZGUSGAUKNAPX-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)CC(C)(C)C ZINC001317165655 933544193 /nfs/dbraw/zinc/54/41/93/933544193.db2.gz JOTNAUIBWSLBGP-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCCC(=O)NC[C@@H]1CCCC[N@@H+]1CCC(C)C ZINC001317174405 933547137 /nfs/dbraw/zinc/54/71/37/933547137.db2.gz SZYNGQJXQVCGBM-INIZCTEOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2(CCC)CCC2)C1 ZINC001317208457 933555512 /nfs/dbraw/zinc/55/55/12/933555512.db2.gz JRXXLCPYIBYQIQ-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)C=C(C)C)C1 ZINC001317376030 933578738 /nfs/dbraw/zinc/57/87/38/933578738.db2.gz PUJIKDKSLIIBTR-JKSUJKDBSA-N 1 1 278.440 3.230 20 30 CGEDMO C=CC1(CC(=O)NCC[N@H+](C)CC[C@@H](C)F)CCCCC1 ZINC001317463429 933597099 /nfs/dbraw/zinc/59/70/99/933597099.db2.gz BOGKFTNAVOITEG-OAHLLOKOSA-N 1 1 298.446 3.309 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)c1ccc(Cl)o1 ZINC001317473164 933600362 /nfs/dbraw/zinc/60/03/62/933600362.db2.gz KOADQHCRKKSFEI-LBPRGKRZSA-N 1 1 298.814 3.339 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)CC ZINC001317506759 933606772 /nfs/dbraw/zinc/60/67/72/933606772.db2.gz FFSPSJHFAZDDIX-HUUCEWRRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)CC(C)=C(C)C ZINC001317506108 933606807 /nfs/dbraw/zinc/60/68/07/933606807.db2.gz QZBHQRMIECPZPY-INIZCTEOSA-N 1 1 278.440 3.280 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)CC ZINC001317741113 933639633 /nfs/dbraw/zinc/63/96/33/933639633.db2.gz WMLUGMBBRLQTEW-VQHPVUNQSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCC2(C)C)C1 ZINC001317796524 933651344 /nfs/dbraw/zinc/65/13/44/933651344.db2.gz ADSXVJJAIHEKDB-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](CCC)C(C)C)C1 ZINC001317851962 933658729 /nfs/dbraw/zinc/65/87/29/933658729.db2.gz BOZQDPWKFGGLGE-DLBZAZTESA-N 1 1 294.483 3.415 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)C(C)C)C1 ZINC001317851779 933658888 /nfs/dbraw/zinc/65/88/88/933658888.db2.gz AMYCNPBPDXGGSX-JKSUJKDBSA-N 1 1 280.456 3.025 20 30 CGEDMO C=CCC[N@H+](C)CC1CCN(C(=O)[C@H](C)CCC)CC1 ZINC001317868768 933660577 /nfs/dbraw/zinc/66/05/77/933660577.db2.gz KPRSDAYLNSTEDI-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)C[N@H+](C)CC1CCN(C(=O)/C(C)=C\CC)CC1 ZINC001317869423 933661724 /nfs/dbraw/zinc/66/17/24/933661724.db2.gz TTWKIEVSKJKPQW-CHHVJCJISA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCn1cnn(C[N@@H+](CC)CC(CC)CC)c1=S ZINC001317902003 933663123 /nfs/dbraw/zinc/66/31/23/933663123.db2.gz YLVWVNJEQWXTAX-UHFFFAOYSA-N 1 1 282.457 3.316 20 30 CGEDMO C=CCn1cnn(C[N@H+](CC)CC(CC)CC)c1=S ZINC001317902003 933663125 /nfs/dbraw/zinc/66/31/25/933663125.db2.gz YLVWVNJEQWXTAX-UHFFFAOYSA-N 1 1 282.457 3.316 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC1C[NH+]([C@H]2CCc3ccccc32)C1 ZINC001318056270 933681923 /nfs/dbraw/zinc/68/19/23/933681923.db2.gz JKLUOLRBMYKRCR-KSSFIOAISA-N 1 1 298.430 3.077 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)C2(CF)CCC2)C1 ZINC001318281800 933703228 /nfs/dbraw/zinc/70/32/28/933703228.db2.gz PCXZEBRKDRJVIN-HNNXBMFYSA-N 1 1 298.446 3.287 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001318349444 933710391 /nfs/dbraw/zinc/71/03/91/933710391.db2.gz KWCBCGDOYDCQJJ-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C(C)(C)C(C)C)C1 ZINC001318334141 933711689 /nfs/dbraw/zinc/71/16/89/933711689.db2.gz REZODYBJAWKOGL-HUUCEWRRSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)CC2CCCC2)C1 ZINC001318380606 933715816 /nfs/dbraw/zinc/71/58/16/933715816.db2.gz MGDQHNUWCOAUML-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2C=CCCC2)C1 ZINC001318411298 933721132 /nfs/dbraw/zinc/72/11/32/933721132.db2.gz CDRJHTHUXWHXMA-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2cscc2Cl)C1 ZINC001320091622 933996626 /nfs/dbraw/zinc/99/66/26/933996626.db2.gz JLOWNXXQNAFPNG-NSHDSACASA-N 1 1 257.786 3.178 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cscc2Cl)C1 ZINC001320091622 933996633 /nfs/dbraw/zinc/99/66/33/933996633.db2.gz JLOWNXXQNAFPNG-NSHDSACASA-N 1 1 257.786 3.178 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CC(CC)CC)C1 ZINC001320097485 933998380 /nfs/dbraw/zinc/99/83/80/933998380.db2.gz MKHFAVBNLDMQNI-SJORKVTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](CCOc2ccc(SC)cc2)C1 ZINC001320320797 934028984 /nfs/dbraw/zinc/02/89/84/934028984.db2.gz JIYWWDKHOBLZHA-HNNXBMFYSA-N 1 1 293.432 3.064 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2OC)C1 ZINC001321130786 934153866 /nfs/dbraw/zinc/15/38/66/934153866.db2.gz RUXYIOHVPNBTLP-AWEZNQCLSA-N 1 1 281.783 3.126 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccc(Cl)cc2OC)C1 ZINC001321130786 934153872 /nfs/dbraw/zinc/15/38/72/934153872.db2.gz RUXYIOHVPNBTLP-AWEZNQCLSA-N 1 1 281.783 3.126 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)CCC(C)(C)C ZINC001322259589 934265868 /nfs/dbraw/zinc/26/58/68/934265868.db2.gz YUZVGKSWWRXZIZ-AWEZNQCLSA-N 1 1 282.472 3.461 20 30 CGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC(C)(C)C1(C)C ZINC001322355943 934285591 /nfs/dbraw/zinc/28/55/91/934285591.db2.gz FXKPAUNRYGQBLY-LBPRGKRZSA-N 1 1 285.391 3.006 20 30 CGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC(C)(C)C1(C)C ZINC001322355943 934285597 /nfs/dbraw/zinc/28/55/97/934285597.db2.gz FXKPAUNRYGQBLY-LBPRGKRZSA-N 1 1 285.391 3.006 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC001322744249 934334293 /nfs/dbraw/zinc/33/42/93/934334293.db2.gz CPPQHSXKVHWQNA-NJAFHUGGSA-N 1 1 284.403 3.316 20 30 CGEDMO COc1ccc(C[C@H](C)[N@@H+](C)Cc2ccc(C#N)o2)cc1 ZINC001323302063 934383564 /nfs/dbraw/zinc/38/35/64/934383564.db2.gz AQMSTWDBWCZJGB-ZDUSSCGKSA-N 1 1 284.359 3.223 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C)CC1CCCCC1 ZINC001323317383 934387526 /nfs/dbraw/zinc/38/75/26/934387526.db2.gz GRSMQNZBCWTBAB-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)CC ZINC001323683688 934419046 /nfs/dbraw/zinc/41/90/46/934419046.db2.gz FBPSYXWWSSGMNF-BBWFWOEESA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+]([C@@H](C)c2ccc(F)cc2F)C1 ZINC001323729083 934421645 /nfs/dbraw/zinc/42/16/45/934421645.db2.gz OKDOHTLNQOKGNJ-WCQYABFASA-N 1 1 267.319 3.303 20 30 CGEDMO CCCCCCC[NH+]1CC(N(C)C(=O)[C@H](F)C(C)C)C1 ZINC001323964910 934442680 /nfs/dbraw/zinc/44/26/80/934442680.db2.gz XVURNVGNLSJGDT-OAHLLOKOSA-N 1 1 286.435 3.094 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccc(SC)s2)C1 ZINC001324633869 934536247 /nfs/dbraw/zinc/53/62/47/934536247.db2.gz NDXPUYYVVGELSX-NSHDSACASA-N 1 1 269.435 3.247 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001324641082 934537616 /nfs/dbraw/zinc/53/76/16/934537616.db2.gz IKOGVGOPCHJJEB-INMHGKMJSA-N 1 1 280.456 3.193 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@](C)(NC(=O)CC2CC(C)(C)C2)C1 ZINC001324642776 934537934 /nfs/dbraw/zinc/53/79/34/934537934.db2.gz XUDNIDAMOBYEAD-SFHVURJKSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC1(CC(=O)N[C@@]2(C)CC[N@H+](CCF)C2)CCCCC1 ZINC001324656459 934540516 /nfs/dbraw/zinc/54/05/16/934540516.db2.gz MGKAVWUQHMACBJ-INIZCTEOSA-N 1 1 296.430 3.063 20 30 CGEDMO C=CC1(CC(=O)N[C@@]2(C)CC[N@@H+](CCF)C2)CCCCC1 ZINC001324656459 934540519 /nfs/dbraw/zinc/54/05/19/934540519.db2.gz MGKAVWUQHMACBJ-INIZCTEOSA-N 1 1 296.430 3.063 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](CCc2cccc(Cl)c2)C1 ZINC001324746993 934561858 /nfs/dbraw/zinc/56/18/58/934561858.db2.gz IYIZDQXIOONDKB-OAHLLOKOSA-N 1 1 265.784 3.159 20 30 CGEDMO C[N@@H+]1Cc2ccccc2[C@H]1CNc1cc(F)ccc1C#N ZINC001472857286 937786881 /nfs/dbraw/zinc/78/68/81/937786881.db2.gz CPNHPSFSJNNSJO-QGZVFWFLSA-N 1 1 281.334 3.296 20 30 CGEDMO C[N@H+]1Cc2ccccc2[C@H]1CNc1cc(F)ccc1C#N ZINC001472857286 937786883 /nfs/dbraw/zinc/78/68/83/937786883.db2.gz CPNHPSFSJNNSJO-QGZVFWFLSA-N 1 1 281.334 3.296 20 30 CGEDMO C#CCOCC[N@H+](C)C1CCC(C(C)(C)C)CC1 ZINC001473126537 937793685 /nfs/dbraw/zinc/79/36/85/937793685.db2.gz RNRYSCWNRYBEEL-UHFFFAOYSA-N 1 1 251.414 3.173 20 30 CGEDMO C#CC[N@H+](C[C@@H]1CC[C@H](C(F)(F)F)O1)C1CCCCC1 ZINC001473137410 937794041 /nfs/dbraw/zinc/79/40/41/937794041.db2.gz UYKZILACBXNOQF-UONOGXRCSA-N 1 1 289.341 3.364 20 30 CGEDMO C=CCCCC[N@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC001473158174 937794833 /nfs/dbraw/zinc/79/48/33/937794833.db2.gz HLHOECSOXWOGAU-INIZCTEOSA-N 1 1 290.382 3.219 20 30 CGEDMO CC[C@H](C)[C@H](C)[N@@H+](C[C@@H](O)c1cccc(C#N)c1)C1CC1 ZINC001473155507 937794854 /nfs/dbraw/zinc/79/48/54/937794854.db2.gz CKYJRBKCWGRTHN-SUNYJGFJSA-N 1 1 286.419 3.491 20 30 CGEDMO C[C@H](Cc1cccs1)[N@@H+](C)Cc1ccncc1C#N ZINC001473214672 937797695 /nfs/dbraw/zinc/79/76/95/937797695.db2.gz ZTFRXHOXFFBMFJ-GFCCVEGCSA-N 1 1 271.389 3.078 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cc(C(=O)OC)ccc1OC ZINC001473434395 937806506 /nfs/dbraw/zinc/80/65/06/937806506.db2.gz XDQXRSCDMSVIFF-OAHLLOKOSA-N 1 1 289.375 3.022 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(C(=O)OC)ccc1OC ZINC001473434395 937806508 /nfs/dbraw/zinc/80/65/08/937806508.db2.gz XDQXRSCDMSVIFF-OAHLLOKOSA-N 1 1 289.375 3.022 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@]2(C)CCC[N@H+](CC(C)C)C2)C1 ZINC001324960735 934876643 /nfs/dbraw/zinc/87/66/43/934876643.db2.gz JGQNUFRUWFQEAT-KRWDZBQOSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C/C(C)=C\CC(=O)NC[C@]1(C)CCC[N@H+](CC(=C)C)C1 ZINC001324956513 934877142 /nfs/dbraw/zinc/87/71/42/934877142.db2.gz CDVPJUTURHZIFC-BHCQIWIZSA-N 1 1 290.451 3.303 20 30 CGEDMO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C)CCC)C2 ZINC001325612660 934920535 /nfs/dbraw/zinc/92/05/35/934920535.db2.gz MJQLETLERBHWFM-WCXIOVBPSA-N 1 1 292.467 3.358 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC001473587854 937812497 /nfs/dbraw/zinc/81/24/97/937812497.db2.gz QQHXFBLGEJJNSG-CYBMUJFWSA-N 1 1 297.320 3.429 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)CCC ZINC001325880092 934937009 /nfs/dbraw/zinc/93/70/09/934937009.db2.gz JFOXXPCUPDRXQM-YESZJQIVSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](C=C)CC ZINC001325897177 934938279 /nfs/dbraw/zinc/93/82/79/934938279.db2.gz IYXMZIYBWZFZCC-YESZJQIVSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)CC2(C)CC2)CC1 ZINC001327141845 935034757 /nfs/dbraw/zinc/03/47/57/935034757.db2.gz GGHHFZLOGVZLIX-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C1CCC(C(=O)N(C)CCC[N@H+](C)CC[C@@H](C)F)CC1 ZINC001327257390 935048217 /nfs/dbraw/zinc/04/82/17/935048217.db2.gz FGILHGCCTMGYOB-OAHLLOKOSA-N 1 1 298.446 3.261 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccccc2OCC(C)C)C1 ZINC001327938364 935100210 /nfs/dbraw/zinc/10/02/10/935100210.db2.gz FGWIEPPHFWAZGZ-KRWDZBQOSA-N 1 1 289.419 3.498 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)[C@@H](C)C1 ZINC001328241514 935127230 /nfs/dbraw/zinc/12/72/30/935127230.db2.gz KDGMNTNRGYEIQV-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@H+](CC)CC1CCN(C(=O)[C@@H]2C[C@H]2CC)CC1 ZINC001328587187 935149811 /nfs/dbraw/zinc/14/98/11/935149811.db2.gz IVKMDLADEFAODA-IAGOWNOFSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)CN1CC2(CC2)CC1=O ZINC001328636346 935154430 /nfs/dbraw/zinc/15/44/30/935154430.db2.gz XOOXKVOBZPNHRM-UHFFFAOYSA-N 1 1 284.403 3.035 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)CN1CC2(CC2)CC1=O ZINC001328636346 935154432 /nfs/dbraw/zinc/15/44/32/935154432.db2.gz XOOXKVOBZPNHRM-UHFFFAOYSA-N 1 1 284.403 3.035 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCCC)C2)C1 ZINC001328809901 935170673 /nfs/dbraw/zinc/17/06/73/935170673.db2.gz VBCRTTPBCZBXHO-SJORKVTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1sccc1C ZINC001329369515 935209406 /nfs/dbraw/zinc/20/94/06/935209406.db2.gz CKOKEDHAKVSIDH-ZIAGYGMSSA-N 1 1 294.464 3.461 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC2(C)C)C(C)(C)C1 ZINC001330222546 935277911 /nfs/dbraw/zinc/27/79/11/935277911.db2.gz OUPFQJCBTSVKAC-GJZGRUSLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)C(C)(C)C(=C)C)C(C)(C)C1 ZINC001330222072 935277996 /nfs/dbraw/zinc/27/79/96/935277996.db2.gz NYKFQPUKOSJQAJ-HNNXBMFYSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C[C@H](C)CC(C)C)C(C)(C)C1 ZINC001330243462 935279523 /nfs/dbraw/zinc/27/95/23/935279523.db2.gz GMBICQQQSALKTO-CVEARBPZSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCCC(=O)N1CC2(C1)CCC[N@H+](CCCC)C2 ZINC001330502841 935290661 /nfs/dbraw/zinc/29/06/61/935290661.db2.gz VIEADVUIHFHSHU-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCCC[N@@H+]1CCCC2(CN(C(=O)C[C@H](C)CC)C2)C1 ZINC001330486999 935290645 /nfs/dbraw/zinc/29/06/45/935290645.db2.gz TWIWDENLJANFMS-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO CCCc1ncc(C[NH2+]C2CC(C#N)(c3ccccc3)C2)o1 ZINC001330712591 935314974 /nfs/dbraw/zinc/31/49/74/935314974.db2.gz BOCDZCWLUWKAOC-UHFFFAOYSA-N 1 1 295.386 3.341 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@]12CCC[C@@H]1[N@@H+](CCC)CC2 ZINC001332089047 935438505 /nfs/dbraw/zinc/43/85/05/935438505.db2.gz ICAXIAWAEAEJGP-YOEHRIQHSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)CCC3(C)CC3)CCC[C@H]12 ZINC001332110589 935440940 /nfs/dbraw/zinc/44/09/40/935440940.db2.gz JMCSYJSARRPLBV-YJBOKZPZSA-N 1 1 290.451 3.256 20 30 CGEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)CCCCCC)CCC[C@@H]12 ZINC001332115993 935440976 /nfs/dbraw/zinc/44/09/76/935440976.db2.gz GCNRCZBVMMHGPP-SJLPKXTDSA-N 1 1 290.451 3.093 20 30 CGEDMO CC#CC[N@@H+](C)CCN(C(=O)[C@@H]1CCCC1(C)C)C(C)C ZINC001332721798 935484321 /nfs/dbraw/zinc/48/43/21/935484321.db2.gz CBYIOUODQDIWQB-INIZCTEOSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)CCCC2CC2)CC1 ZINC001333395544 935532677 /nfs/dbraw/zinc/53/26/77/935532677.db2.gz SCGOYYOCNYJLMX-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO CCN1C[C@H](C)[N@@H+](CCCCC2(C#N)CCC2)C[C@@H]1C ZINC001333874265 936072729 /nfs/dbraw/zinc/07/27/29/936072729.db2.gz RJMYWUWLIHMIPJ-HOTGVXAUSA-N 1 1 277.456 3.265 20 30 CGEDMO CC[N@@H+]1C[C@H](C)N(CCCCC2(C#N)CCC2)C[C@@H]1C ZINC001333874265 936072734 /nfs/dbraw/zinc/07/27/34/936072734.db2.gz RJMYWUWLIHMIPJ-HOTGVXAUSA-N 1 1 277.456 3.265 20 30 CGEDMO CC[N@H+]1C[C@H](C)N(CCCCC2(C#N)CCC2)C[C@@H]1C ZINC001333874265 936072736 /nfs/dbraw/zinc/07/27/36/936072736.db2.gz RJMYWUWLIHMIPJ-HOTGVXAUSA-N 1 1 277.456 3.265 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2ncccc2C(F)(F)F)cc1 ZINC001334809752 936116058 /nfs/dbraw/zinc/11/60/58/936116058.db2.gz ZPZPHFRAAZQFFD-UHFFFAOYSA-N 1 1 291.276 3.262 20 30 CGEDMO N#Cc1cc(C[NH+]2CC(c3ccc(F)cc3)C2)cs1 ZINC001335073794 936128376 /nfs/dbraw/zinc/12/83/76/936128376.db2.gz YXGXLHIIFZPYNA-UHFFFAOYSA-N 1 1 272.348 3.358 20 30 CGEDMO CCC1(CC)C[N@@H+](Cc2cncc(C#N)c2)CCS1 ZINC001335804863 936161491 /nfs/dbraw/zinc/16/14/91/936161491.db2.gz XMUKGVHFTYLCHE-UHFFFAOYSA-N 1 1 275.421 3.061 20 30 CGEDMO C#C[C@H]1CCCC[N@H+]1CCOc1ccc(F)cc1Cl ZINC001473867971 937826043 /nfs/dbraw/zinc/82/60/43/937826043.db2.gz CDIAWWKDGNOAIZ-ZDUSSCGKSA-N 1 1 281.758 3.346 20 30 CGEDMO C#C[C@H]1CCCC[N@@H+]1CCOc1ccc(F)cc1Cl ZINC001473867971 937826045 /nfs/dbraw/zinc/82/60/45/937826045.db2.gz CDIAWWKDGNOAIZ-ZDUSSCGKSA-N 1 1 281.758 3.346 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+]1CC=C(c2cccc(C)c2C)CC1 ZINC001473872910 937826391 /nfs/dbraw/zinc/82/63/91/937826391.db2.gz VEWHRIWKBJGXDF-SFHVURJKSA-N 1 1 271.404 3.330 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](N2CCCC2)C[C@@H]1C(C)C ZINC001473877622 937826610 /nfs/dbraw/zinc/82/66/10/937826610.db2.gz WCBHEWLSLLSKFE-JKSUJKDBSA-N 1 1 250.430 3.147 20 30 CGEDMO CC(C)c1ccc2c(c1)CC[N@H+](C[C@@H](O)CC1(C#N)CC1)C2 ZINC001473905946 937829244 /nfs/dbraw/zinc/82/92/44/937829244.db2.gz YOSAHVCUZYCOKZ-SFHVURJKSA-N 1 1 298.430 3.223 20 30 CGEDMO C#Cc1ccc(C[N@H+](CCO)[C@@H](C)c2ccccc2)cc1 ZINC001474336100 937852887 /nfs/dbraw/zinc/85/28/87/937852887.db2.gz SNHYVKVUBWZIIM-INIZCTEOSA-N 1 1 279.383 3.223 20 30 CGEDMO C#CC[N@H+](CC#CC)Cc1ccc(OCCC)cc1C ZINC001474370351 937855136 /nfs/dbraw/zinc/85/51/36/937855136.db2.gz YEKZSRBYDASNNX-UHFFFAOYSA-N 1 1 269.388 3.242 20 30 CGEDMO C#CC[N@@H+](CC#CC)Cc1ccc(OCCC)cc1C ZINC001474370351 937855137 /nfs/dbraw/zinc/85/51/37/937855137.db2.gz YEKZSRBYDASNNX-UHFFFAOYSA-N 1 1 269.388 3.242 20 30 CGEDMO C#CC[N@H+](C[C@@](C)(CC)OC)[C@H]1CCc2ccccc21 ZINC001474388106 937856626 /nfs/dbraw/zinc/85/66/26/937856626.db2.gz WTJPSHKWWRQFEP-ZWKOTPCHSA-N 1 1 271.404 3.424 20 30 CGEDMO C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C1CCCC1 ZINC001474599182 937869369 /nfs/dbraw/zinc/86/93/69/937869369.db2.gz PTJABODLALLIDJ-GOSISDBHSA-N 1 1 298.430 3.078 20 30 CGEDMO C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C1CCCC1 ZINC001474599182 937869370 /nfs/dbraw/zinc/86/93/70/937869370.db2.gz PTJABODLALLIDJ-GOSISDBHSA-N 1 1 298.430 3.078 20 30 CGEDMO C=CCCC(C)(C)NC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001478585697 937907561 /nfs/dbraw/zinc/90/75/61/937907561.db2.gz GZXVJSXQVJDTMC-AWEZNQCLSA-N 1 1 295.471 3.151 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001479094523 937916232 /nfs/dbraw/zinc/91/62/32/937916232.db2.gz XKCMGJNBFBHTIH-GJZGRUSLSA-N 1 1 295.471 3.103 20 30 CGEDMO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C[C@H](CC)C(C)(C)C ZINC001479255138 937918211 /nfs/dbraw/zinc/91/82/11/937918211.db2.gz KQOXOFCDNDHABN-HOTGVXAUSA-N 1 1 292.467 3.005 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H](CC)C(C)(C)C ZINC001479255138 937918212 /nfs/dbraw/zinc/91/82/12/937918212.db2.gz KQOXOFCDNDHABN-HOTGVXAUSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N(C)C[C@H]1CC[N@H+]1CC=C(C)C ZINC001479238696 937918234 /nfs/dbraw/zinc/91/82/34/937918234.db2.gz LMDSHCVMALAHMX-OAHLLOKOSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C(C)=C2CCCC2)[C@H]1C ZINC001479701822 937924336 /nfs/dbraw/zinc/92/43/36/937924336.db2.gz HEGFJZXDESNXCL-WBVHZDCISA-N 1 1 290.451 3.422 20 30 CGEDMO C=CC[N@@H+](C)CCCNC(=O)C/C=C/c1ccc(C)cc1 ZINC001479822837 937926524 /nfs/dbraw/zinc/92/65/24/937926524.db2.gz MSINVMDXQWIWIU-FNORWQNLSA-N 1 1 286.419 3.022 20 30 CGEDMO C=CCC[N@@H+](CC)CCCNC(=O)c1ccc(C)cc1C ZINC001479859454 937927343 /nfs/dbraw/zinc/92/73/43/937927343.db2.gz NWHGNPDWKQDDKF-UHFFFAOYSA-N 1 1 288.435 3.321 20 30 CGEDMO C=CCC[N@@H+](CC)CCCNC(=O)C1(C)CCCCC1 ZINC001479853083 937927508 /nfs/dbraw/zinc/92/75/08/937927508.db2.gz AIWFKENCKWXKQP-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](CC/C=C\CCC)C1 ZINC001479960414 937929789 /nfs/dbraw/zinc/92/97/89/937929789.db2.gz KDKLPYWPMKBQRW-CDNLZTBQSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)/C(C)=C/C)C1 ZINC001480075463 937931751 /nfs/dbraw/zinc/93/17/51/937931751.db2.gz XZVQJCQGINARNO-KBHCHJSJSA-N 1 1 278.440 3.089 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)C ZINC001480180815 937933743 /nfs/dbraw/zinc/93/37/43/937933743.db2.gz HHNURBGQJPHERD-MQVJKMGUSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)C(C)(C)C)C1 ZINC001480256407 937935251 /nfs/dbraw/zinc/93/52/51/937935251.db2.gz FDOINSQLFSCWSO-GJZGRUSLSA-N 1 1 280.456 3.073 20 30 CGEDMO CC/C=C(\C)C(=O)N[C@@H]1[C@H]2C[N@H+](CCCCCCC)C[C@H]21 ZINC001480389513 937938233 /nfs/dbraw/zinc/93/82/33/937938233.db2.gz BRFOAGXVVYJVKI-NGDCPHGZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001492994135 937946203 /nfs/dbraw/zinc/94/62/03/937946203.db2.gz ZCDNIVYKWRSZEL-ARFHVFGLSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CC(C)(C)CC(=O)NCC[N@@H+](CC1CCCC1)C1CC1 ZINC001493373415 937950313 /nfs/dbraw/zinc/95/03/13/937950313.db2.gz CPKJTARTRRKONH-UHFFFAOYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)c1cc(Cl)c[nH]1)C(C)C ZINC001493852237 937951567 /nfs/dbraw/zinc/95/15/67/937951567.db2.gz PTHPVRKOGLNKKL-UHFFFAOYSA-N 1 1 297.830 3.075 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]([NH2+]CCF)c1ccccc1 ZINC001493900011 937951902 /nfs/dbraw/zinc/95/19/02/937951902.db2.gz TUOQNZOFECFYNT-OAHLLOKOSA-N 1 1 292.398 3.005 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)/C(C)=C\CC)C1 ZINC001493939238 937952265 /nfs/dbraw/zinc/95/22/65/937952265.db2.gz KOPSGIBCAHHCNY-MVMZHWFQSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CCNC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001494018827 937953199 /nfs/dbraw/zinc/95/31/99/937953199.db2.gz PNHWGMNGIOTQNW-WMZOPIPTSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CC1CCN(C(=O)C2CCC2)CC1 ZINC001494189223 937953758 /nfs/dbraw/zinc/95/37/58/937953758.db2.gz VHIMXJPGMPFCPN-OAHLLOKOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)C2(CC)CC2)C1 ZINC001494288174 937954108 /nfs/dbraw/zinc/95/41/08/937954108.db2.gz AIVUZEOULBXQMA-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H](F)CC2CCCCC2)C1 ZINC001494327189 937954345 /nfs/dbraw/zinc/95/43/45/937954345.db2.gz OFSFWGXWRHXLRC-JKSUJKDBSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[C@@H](C)[NH+]1CC(NC(=O)c2sc(C)cc2C)C1 ZINC001494395875 937954744 /nfs/dbraw/zinc/95/47/44/937954744.db2.gz ILMUZCWQJWRQLL-GFCCVEGCSA-N 1 1 292.448 3.134 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@](C)(CC)CCC ZINC001494678746 937955545 /nfs/dbraw/zinc/95/55/45/937955545.db2.gz DYADHVOSUHVVLK-YQQAZPJKSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@](C)(CC)CCC ZINC001494678746 937955546 /nfs/dbraw/zinc/95/55/46/937955546.db2.gz DYADHVOSUHVVLK-YQQAZPJKSA-N 1 1 278.440 3.064 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)C2=CCCC2)C1 ZINC001494700798 937955753 /nfs/dbraw/zinc/95/57/53/937955753.db2.gz SGVNCYNLAOQCCE-INIZCTEOSA-N 1 1 278.440 3.258 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](N(C)C(=O)C2=CCCC2)C1 ZINC001494813157 937956201 /nfs/dbraw/zinc/95/62/01/937956201.db2.gz NMMNHXMVSYGQSV-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)CC2(C=C)CCCCC2)C1 ZINC001494852509 937956804 /nfs/dbraw/zinc/95/68/04/937956804.db2.gz MWPATENJEIMWHX-MRXNPFEDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)c1ccccc1 ZINC001496654350 937963351 /nfs/dbraw/zinc/96/33/51/937963351.db2.gz WYZYTXRJWMZOSZ-OAHLLOKOSA-N 1 1 274.408 3.045 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCC(C)(C)C)C1 ZINC001496852274 937964439 /nfs/dbraw/zinc/96/44/39/937964439.db2.gz AMBUVGFNSULDEV-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)/C=C\C(C)(C)C)CC[C@@H]21 ZINC001496860042 937964588 /nfs/dbraw/zinc/96/45/88/937964588.db2.gz SMQHTZSEYWSYOB-SELBCVKXSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1CC[N@@H+]1CCCC(C)(C)C ZINC001499036834 937972111 /nfs/dbraw/zinc/97/21/11/937972111.db2.gz HKZXEPRYVSXWCE-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](F)CC1CCCCC1 ZINC001499099480 937972533 /nfs/dbraw/zinc/97/25/33/937972533.db2.gz DSOGURMYLHVPPY-CVEARBPZSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@@H](C)CC(C)C)C2)C1 ZINC001499615695 937973878 /nfs/dbraw/zinc/97/38/78/937973878.db2.gz GENGXTBBLNLEBB-WMZOPIPTSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC ZINC001500147224 937976036 /nfs/dbraw/zinc/97/60/36/937976036.db2.gz AIGTZGVMXOLJER-ZACQAIPSSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)CCC2CC2)C1 ZINC001500200158 937976414 /nfs/dbraw/zinc/97/64/14/937976414.db2.gz MDTNRMTWNBSBSI-RHSMWYFYSA-N 1 1 278.440 3.112 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@](C)(NC(=O)CCCCCCCC)C1 ZINC001500282188 937976603 /nfs/dbraw/zinc/97/66/03/937976603.db2.gz SWDGESCHHKEPAW-GOSISDBHSA-N 1 1 292.467 3.341 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)C[C@H]2C=CCC2)C1 ZINC001500475867 937977493 /nfs/dbraw/zinc/97/74/93/937977493.db2.gz XDHFEVSEOCTTQX-WMZOPIPTSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)C[C@@H](C)CC)C1 ZINC001500492565 937977681 /nfs/dbraw/zinc/97/76/81/937977681.db2.gz KUSLXCVGRZZYDE-RDJZCZTQSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C=C(C)C)C2 ZINC001501158462 937979051 /nfs/dbraw/zinc/97/90/51/937979051.db2.gz CRGPIQMFJGEBRJ-BJWYYQGGSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C/C(C)=C\CC(=O)N[C@@H]1CCC[N@H+](CCC(=C)C)CC1 ZINC001502131955 937981420 /nfs/dbraw/zinc/98/14/20/937981420.db2.gz KETPWWJNSJOCPU-QOTSWMAJSA-N 1 1 290.451 3.446 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)[C@@]1(C)CC=CCC1 ZINC001502336622 937981833 /nfs/dbraw/zinc/98/18/33/937981833.db2.gz QWCSMNLLFQZCIV-KRWDZBQOSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C(C)(CC)CC)C(C)(C)C1 ZINC001502836863 937983536 /nfs/dbraw/zinc/98/35/36/937983536.db2.gz UUKYGOQANITHBT-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)CSC(C)C)C[C@H]1C ZINC001502903972 937983713 /nfs/dbraw/zinc/98/37/13/937983713.db2.gz WZYLUAUPNKLOMR-HUUCEWRRSA-N 1 1 298.496 3.063 20 30 CGEDMO CCCCC[N@H+]1CC[C@H](NC(=O)C#CC(C)(C)C)C[C@H]1C ZINC001502923678 937983934 /nfs/dbraw/zinc/98/39/34/937983934.db2.gz UPMJWLXSZKPTAV-CVEARBPZSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)CCCC ZINC001505420691 937984983 /nfs/dbraw/zinc/98/49/83/937984983.db2.gz ITQBDJALSHYYRV-HNNXBMFYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCC(=C)C ZINC001506562291 937990675 /nfs/dbraw/zinc/99/06/75/937990675.db2.gz KQEGUPOUIPSXFB-MRXNPFEDSA-N 1 1 278.440 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)C(C)(C)C(C)C)C(C)(C)C1 ZINC001506740008 937991677 /nfs/dbraw/zinc/99/16/77/937991677.db2.gz NURQOWOQRAURBH-AWEZNQCLSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)C[C@@H](C=C)CC)C(C)(C)C1 ZINC001506749913 937992030 /nfs/dbraw/zinc/99/20/30/937992030.db2.gz VJUVIJOIYJUMJT-HOTGVXAUSA-N 1 1 292.467 3.382 20 30 CGEDMO C#CCC[N@H+](C)C1CCN(C(=O)C(CCC)CCC)CC1 ZINC001506960932 937993156 /nfs/dbraw/zinc/99/31/56/937993156.db2.gz NIIQWWGSPIQHTA-UHFFFAOYSA-N 1 1 292.467 3.149 20 30 CGEDMO CC#CC[N@H+](C)C1CCN(C(=O)C[C@H](CC)C(C)C)CC1 ZINC001506970336 937993235 /nfs/dbraw/zinc/99/32/35/937993235.db2.gz MFPJOTBKPMZRLQ-INIZCTEOSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCCCCC[N@H+](C)C1CCN(C(=O)C2(C)CC2)CC1 ZINC001506958220 937993386 /nfs/dbraw/zinc/99/33/86/937993386.db2.gz QAGLMCGPHNKGHK-UHFFFAOYSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@]2(NC(=O)C3CCC3)CCC[C@H]12 ZINC001507336168 937995404 /nfs/dbraw/zinc/99/54/04/937995404.db2.gz RMNGQRKXVJHLCD-QILLFSRXSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C2(CC)CCC2)[C@@H]1C ZINC001507381038 937995464 /nfs/dbraw/zinc/99/54/64/937995464.db2.gz HWUCPHQJNQTZMD-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)[C@H]1CCC[C@H](F)C1)C(C)C ZINC001507788323 937997030 /nfs/dbraw/zinc/99/70/30/937997030.db2.gz SJWZSRIJESDTQY-HOTGVXAUSA-N 1 1 298.446 3.260 20 30 CGEDMO C=C(CC(C)C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC001519700870 938020403 /nfs/dbraw/zinc/02/04/03/938020403.db2.gz VVKUIJYLDKXOAQ-CVEARBPZSA-N 1 1 278.440 3.062 20 30 CGEDMO CCCCCCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001557613565 938210994 /nfs/dbraw/zinc/21/09/94/938210994.db2.gz ZDLZQWTWCSHDRE-CABCVRRESA-N 1 1 266.429 3.090 20 30 CGEDMO C#CC[N@H+](C[C@@H]1CC(C)(C)CO1)[C@H]1CCc2ccccc21 ZINC001559499443 938227561 /nfs/dbraw/zinc/22/75/61/938227561.db2.gz UITPGBTWJJMBDD-WMZOPIPTSA-N 1 1 283.415 3.424 20 30 CGEDMO C#CC[N@H+](CCOCCCC)[C@H]1CCc2ccccc21 ZINC001559499200 938227712 /nfs/dbraw/zinc/22/77/12/938227712.db2.gz LOIYFBVJVGYBKF-SFHVURJKSA-N 1 1 271.404 3.426 20 30 CGEDMO C=CC[C@H]1[N@H+](CC(=O)Nc2ccccn2)CCCC1(C)C ZINC001559797653 938236113 /nfs/dbraw/zinc/23/61/13/938236113.db2.gz VUUSJAINVZNOCZ-CQSZACIVSA-N 1 1 287.407 3.087 20 30 CGEDMO CCCCCCCCCC[N@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC001559902955 938238551 /nfs/dbraw/zinc/23/85/51/938238551.db2.gz MHQCUBGRYLWOPB-HZPDHXFCSA-N 1 1 271.445 3.209 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](C[C@H](O)c2cccc(C)c2)C1 ZINC001559983251 938240845 /nfs/dbraw/zinc/24/08/45/938240845.db2.gz LNAWIQZAWKCJNC-RDJZCZTQSA-N 1 1 259.393 3.317 20 30 CGEDMO CC#CC[N@H+]([C@H](C)COC)[C@H]1CCc2ccccc21 ZINC001560045878 938242537 /nfs/dbraw/zinc/24/25/37/938242537.db2.gz VGCJUFAOMDDLLV-PBHICJAKSA-N 1 1 257.377 3.034 20 30 CGEDMO C#CC[N@H+](C[C@@H](C)OC)[C@H]1CCCc2ccccc21 ZINC001560172218 938245681 /nfs/dbraw/zinc/24/56/81/938245681.db2.gz QSCIXTUNWYSXTM-PBHICJAKSA-N 1 1 257.377 3.034 20 30 CGEDMO C#CC[N@H+](CCOc1ccc(C(F)(F)F)cc1)C(C)C ZINC001560164631 938245940 /nfs/dbraw/zinc/24/59/40/938245940.db2.gz GILHMTVNHKVJAE-UHFFFAOYSA-N 1 1 285.309 3.428 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1nc([C@@H](C)OCC)no1 ZINC001560200333 938246874 /nfs/dbraw/zinc/24/68/74/938246874.db2.gz UCEAIJTUDGTPDI-CHWSQXEVSA-N 1 1 279.384 3.098 20 30 CGEDMO CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)[N@@H+](CCC(C)(C)C#N)[C@H]1C ZINC001560222757 938247699 /nfs/dbraw/zinc/24/76/99/938247699.db2.gz JDYGZTYGBCLROB-CBBWQLFWSA-N 1 1 294.439 3.224 20 30 CGEDMO CCc1ccc2c(c1)CC[N@H+](C[C@H](O)CC1(C#N)CCC1)C2 ZINC001560238396 938248557 /nfs/dbraw/zinc/24/85/57/938248557.db2.gz NKHBPEXJTOMAJA-GOSISDBHSA-N 1 1 298.430 3.052 20 30 CGEDMO C=CCOc1cccc(CNCC[NH+]2CCC(C)CC2)c1 ZINC001560266991 938250214 /nfs/dbraw/zinc/25/02/14/938250214.db2.gz ZVBLUSWDGTYHRV-UHFFFAOYSA-N 1 1 288.435 3.073 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1cc2ccccc2nc1OC ZINC001560349024 938254475 /nfs/dbraw/zinc/25/44/75/938254475.db2.gz UOLDCVDSFPPGLV-UHFFFAOYSA-N 1 1 262.740 3.086 20 30 CGEDMO COc1cc(C)ccc1C[NH2+]Cc1cc(C#N)ccc1F ZINC001560590555 938264390 /nfs/dbraw/zinc/26/43/90/938264390.db2.gz XZTUEYQAAFHDMA-UHFFFAOYSA-N 1 1 284.334 3.304 20 30 CGEDMO COc1cc(C)c(C[N@@H+](CCC#N)CC(C)(C)C)c(O)c1 ZINC001560657101 938268268 /nfs/dbraw/zinc/26/82/68/938268268.db2.gz BQPXDTSQTLRDNT-UHFFFAOYSA-N 1 1 290.407 3.471 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccccc1-n1nnc2ccccc21 ZINC001560758662 938274285 /nfs/dbraw/zinc/27/42/85/938274285.db2.gz FTHLXFCWKHRPFY-UHFFFAOYSA-N 1 1 292.386 3.428 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([NH2+]CC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC001254642981 958814327 /nfs/dbraw/zinc/81/43/27/958814327.db2.gz HZCIRWCDUIFNAO-MWLCHTKSSA-N 1 1 297.185 3.458 20 30 CGEDMO CC#CCCCC(=O)N[C@H]1CCC[N@H+](C[C@H](C)CC)CC1 ZINC001570181833 960453476 /nfs/dbraw/zinc/45/34/76/960453476.db2.gz QWUCLNXYGGHKHH-SJORKVTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)/C(C)=C/CC ZINC001570525941 960458324 /nfs/dbraw/zinc/45/83/24/960458324.db2.gz LALPDUXCDPUUTP-WEKMIXOTSA-N 1 1 284.831 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)/C(C)=C/CC ZINC001570525941 960458333 /nfs/dbraw/zinc/45/83/33/960458333.db2.gz LALPDUXCDPUUTP-WEKMIXOTSA-N 1 1 284.831 3.018 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H](C=C)c1ccccc1 ZINC001565835419 960838243 /nfs/dbraw/zinc/83/82/43/960838243.db2.gz MQAHJZFLDFZNJL-AEFFLSMTSA-N 1 1 298.430 3.065 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](CC[C@H](C)F)[C@@H]1CC ZINC001566013756 960864170 /nfs/dbraw/zinc/86/41/70/960864170.db2.gz ISTITDZUBLNALI-SOUVJXGZSA-N 1 1 284.419 3.060 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)/C=C(/C)CC)C[C@@H]2C1 ZINC001566043150 960864622 /nfs/dbraw/zinc/86/46/22/960864622.db2.gz PGPFBFYZPCBUEG-KNUIFBHBSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C=C)[C@H]1CC ZINC001566019155 960866968 /nfs/dbraw/zinc/86/69/68/960866968.db2.gz FIJOVPIBCWZIEQ-LSDHHAIUSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)CCC)C[C@@H]2C1 ZINC001566048583 960867233 /nfs/dbraw/zinc/86/72/33/960867233.db2.gz UEZDWHCHQGGDMT-CVEARBPZSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](CC[C@@H](C)F)[C@@H]1CC ZINC001566013755 960871819 /nfs/dbraw/zinc/87/18/19/960871819.db2.gz ISTITDZUBLNALI-QLFBSQMISA-N 1 1 284.419 3.060 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)CC(C)(C)C)[C@H]1C ZINC001566104059 960875269 /nfs/dbraw/zinc/87/52/69/960875269.db2.gz IZZHESUOQPYNGV-KFWWJZLASA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C(C)=C2CCC2)[C@H]1C ZINC001566089011 960878377 /nfs/dbraw/zinc/87/83/77/960878377.db2.gz XEAKRSLYZOJTQM-ZBFHGGJFSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCNC(=O)[C@H]1CCCC[C@H]1C ZINC001566487329 960937218 /nfs/dbraw/zinc/93/72/18/960937218.db2.gz XSYAFVPCIIZYOL-OCCSQVGLSA-N 1 1 286.847 3.003 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCNC(=O)[C@H]1CCCC[C@H]1C ZINC001566487329 960937240 /nfs/dbraw/zinc/93/72/40/960937240.db2.gz XSYAFVPCIIZYOL-OCCSQVGLSA-N 1 1 286.847 3.003 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)C1(C)CCCC1 ZINC001566478552 960940675 /nfs/dbraw/zinc/94/06/75/960940675.db2.gz UNCAUOAUCXFOAO-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CCC[N@@H+](CC)CCCNC(=O)[C@H]1CCCCC1(C)C ZINC001566576797 960967213 /nfs/dbraw/zinc/96/72/13/960967213.db2.gz AUJNCPCLAKWJRR-MRXNPFEDSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001566623336 960972105 /nfs/dbraw/zinc/97/21/05/960972105.db2.gz LUIPNQLNTBOHDC-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](CNC(=O)C2(C)CCC(C)CC2)C1 ZINC001566882898 961048690 /nfs/dbraw/zinc/04/86/90/961048690.db2.gz XRBKMQREEVVIOF-PQUAAJSLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)C1(C)CC(=C)C1 ZINC001566926101 961054142 /nfs/dbraw/zinc/05/41/42/961054142.db2.gz XBZKOPNRQUAUIJ-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](CC)SC ZINC001566920492 961065086 /nfs/dbraw/zinc/06/50/86/961065086.db2.gz UOXJXMOWNQSGJG-GJZGRUSLSA-N 1 1 298.496 3.065 20 30 CGEDMO CC(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)C#CC(C)(C)C ZINC001566920950 961065616 /nfs/dbraw/zinc/06/56/16/961065616.db2.gz CXJRMUGVOIXRJA-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)CCC)C1 ZINC001567198137 961139077 /nfs/dbraw/zinc/13/90/77/961139077.db2.gz BEBJJTDTWLAHBY-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)C2(CCC)CC2)C1 ZINC001567199615 961143364 /nfs/dbraw/zinc/14/33/64/961143364.db2.gz YLZXWSRFXURFBZ-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)C(C)=C1CCC1 ZINC001567364068 961302908 /nfs/dbraw/zinc/30/29/08/961302908.db2.gz BCRMEVIMYWYOLE-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)C=C(CC)CC)C1 ZINC001567396689 961329787 /nfs/dbraw/zinc/32/97/87/961329787.db2.gz HXRUPNAWDIYSNH-MRXNPFEDSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CCNC(=O)c1ccoc1C)C1CC1 ZINC001567436797 961338842 /nfs/dbraw/zinc/33/88/42/961338842.db2.gz HFEWKCLPAJZYHB-ZDUSSCGKSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)CCC(=O)NCC[N@@H+](CC1CC(C)(C)C1)C1CC1 ZINC001567443407 961341402 /nfs/dbraw/zinc/34/14/02/961341402.db2.gz ZBAYSKZPAXVFCY-UHFFFAOYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+](CCNC(=O)c1ccoc1C(C)C)C1CC1 ZINC001567455445 961348909 /nfs/dbraw/zinc/34/89/09/961348909.db2.gz BHMAMMIEELEORA-UHFFFAOYSA-N 1 1 290.407 3.173 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H](C)CCC)C1 ZINC001567696497 961404199 /nfs/dbraw/zinc/40/41/99/961404199.db2.gz OEAXKCVICISQAY-HOTGVXAUSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](CCNC(=O)C(C)(C)CCC)C1 ZINC001567708134 961409266 /nfs/dbraw/zinc/40/92/66/961409266.db2.gz MOIBDVDWSKVQCV-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC[N@H+](C)CC1CCN(C(=O)[C@@H](C)C(C)(C)C)CC1 ZINC001567748820 961413676 /nfs/dbraw/zinc/41/36/76/961413676.db2.gz QMTPZMWMFOTSDL-CQSZACIVSA-N 1 1 280.456 3.025 20 30 CGEDMO C=CCCC(=O)N1CCC(C[N@H+](C)CCCCC)CC1 ZINC001567745018 961414708 /nfs/dbraw/zinc/41/47/08/961414708.db2.gz VDXBRVUWGJRWRA-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@@H](C[N@H+](C)C[C@H](C)CC)C1 ZINC001567737414 961416977 /nfs/dbraw/zinc/41/69/77/961416977.db2.gz AMHDYFDJZWEEGK-CVEARBPZSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)C[C@H]2C=CCC2)C1 ZINC001567723620 961419133 /nfs/dbraw/zinc/41/91/33/961419133.db2.gz ZAKGBYSEGXCGIL-DLBZAZTESA-N 1 1 290.451 3.089 20 30 CGEDMO C#CCCCCC(=O)N[C@H]1CCC[N@H+](CC/C=C\CC)C1 ZINC001567773556 961427881 /nfs/dbraw/zinc/42/78/81/961427881.db2.gz JJWOXXUXJRDJBQ-QLBOMPFWSA-N 1 1 290.451 3.117 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCCCC ZINC001567861160 961447738 /nfs/dbraw/zinc/44/77/38/961447738.db2.gz LNCCPGWVJZBGDE-XYJFISCASA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](CCCCC)C(C)C)C1 ZINC001567882370 961453039 /nfs/dbraw/zinc/45/30/39/961453039.db2.gz ZHTWKPOZHYPVGQ-JKSUJKDBSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC(=O)N(C)[C@H]1CC[N@H+](CC2CCC(C)CC2)C1 ZINC001567905833 961457278 /nfs/dbraw/zinc/45/72/78/961457278.db2.gz FOBZBLMFZUSEKZ-JCYILVPMSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCC(=O)N(C)[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001567921152 961462477 /nfs/dbraw/zinc/46/24/77/961462477.db2.gz RWSMXUHMVQXDRF-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC1(CC(=O)N(C)[C@@H]2CC[N@H+](CCC)C2)CCCCC1 ZINC001567923798 961464417 /nfs/dbraw/zinc/46/44/17/961464417.db2.gz GOMLUTVJTCNMFI-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001567941498 961470087 /nfs/dbraw/zinc/47/00/87/961470087.db2.gz BBXDGPCDGVCPQH-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)[C@H]1CCC(C)=C(C)C1 ZINC001568483815 961592974 /nfs/dbraw/zinc/59/29/74/961592974.db2.gz BTKXLOFFCAWZJR-INIZCTEOSA-N 1 1 278.440 3.089 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N(C)CC[N@H+](C)CCCC(C)C ZINC001568491137 961595910 /nfs/dbraw/zinc/59/59/10/961595910.db2.gz CWJLHXWTFHDDPU-UHFFFAOYSA-N 1 1 282.472 3.415 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)[C@H]1[C@H](C=C(C)C)C1(C)C ZINC001568489128 961596360 /nfs/dbraw/zinc/59/63/60/961596360.db2.gz ONKSFOBIOFOGOF-JKSUJKDBSA-N 1 1 292.467 3.191 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)CC1CCCCC1 ZINC001569103951 961683966 /nfs/dbraw/zinc/68/39/66/961683966.db2.gz PSQSGCOTUVSGNQ-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)C(C)=C1CCC1 ZINC001569358552 961739096 /nfs/dbraw/zinc/73/90/96/961739096.db2.gz ZBEACDGQZQOXIK-CJNGLKHVSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CC[N@H+]2CCC2CC2)CCCC1 ZINC001569387405 961747078 /nfs/dbraw/zinc/74/70/78/961747078.db2.gz LYVBTFXBUZXLIP-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@]1(C)C=CCC1 ZINC001569369527 961748179 /nfs/dbraw/zinc/74/81/79/961748179.db2.gz HRNHEXICCOZBBJ-AEFFLSMTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CCC1)C2 ZINC001569463678 961780817 /nfs/dbraw/zinc/78/08/17/961780817.db2.gz ATATZHMKBRCJLI-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@](C)(NC(=O)c2ccoc2C)C1 ZINC001569628568 961813583 /nfs/dbraw/zinc/81/35/83/961813583.db2.gz QNFMSNXAJCJBSZ-GUYCJALGSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@]1(C)CCC[N@@H+](CCCF)C1 ZINC001569720023 961826689 /nfs/dbraw/zinc/82/66/89/961826689.db2.gz QABUHYSQBWDBTH-WBVHZDCISA-N 1 1 298.446 3.167 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@]1(C)CCC[N@H+](C[C@@H](F)CC)C1 ZINC001569719186 961827073 /nfs/dbraw/zinc/82/70/73/961827073.db2.gz DAJWTWSVXSPALJ-YOEHRIQHSA-N 1 1 298.446 3.165 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)C[C@H](C)CCC)C1 ZINC001569711362 961830901 /nfs/dbraw/zinc/83/09/01/961830901.db2.gz BETCKDGFZPWBIP-AEFFLSMTSA-N 1 1 292.467 3.054 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)C[C@H](C)C2CC2)C1 ZINC001569725661 961842404 /nfs/dbraw/zinc/84/24/04/961842404.db2.gz DNYHPWXZVOEVCI-YJBOKZPZSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC/C=C\CC)C2 ZINC001569794757 961843089 /nfs/dbraw/zinc/84/30/89/961843089.db2.gz NDUNRJKILFMYES-ZOQUCXFZSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2C/C=C/Cl ZINC001569910870 961871750 /nfs/dbraw/zinc/87/17/50/961871750.db2.gz XJQRACUWFURPPT-KCAOKQCMSA-N 1 1 296.842 3.161 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC(=C)C ZINC001569911061 961873647 /nfs/dbraw/zinc/87/36/47/961873647.db2.gz ZFERQUOQXZLYHG-DLBZAZTESA-N 1 1 290.451 3.374 20 30 CGEDMO C=CC[N@@H+]1CCc2c(CNC(=O)/C(C)=C/CC)cccc2C1 ZINC001570077817 961895324 /nfs/dbraw/zinc/89/53/24/961895324.db2.gz ABQFJFOFAYVYHS-VIZOYTHASA-N 1 1 298.430 3.203 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCN(C)C(=O)C1CC(C)C1 ZINC001570193849 961919562 /nfs/dbraw/zinc/91/95/62/961919562.db2.gz NSCSBUXLXLSKCQ-PCKAHOCUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)C(F)=C1CCCC1 ZINC001570194983 961923158 /nfs/dbraw/zinc/92/31/58/961923158.db2.gz GJARXZLSMZPFCC-UHFFFAOYSA-N 1 1 282.403 3.140 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N(C)CCC[N@H+](C)C[C@H](C)CC ZINC001570204670 961925895 /nfs/dbraw/zinc/92/58/95/961925895.db2.gz ZLPVYOADGXMQGF-OAHLLOKOSA-N 1 1 282.472 3.415 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C2(C)CC=CC2)CC1 ZINC001570183731 961927196 /nfs/dbraw/zinc/92/71/96/961927196.db2.gz QDYLLFOVHHJYBB-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCCC(=O)NCc1ccc2c(c1)C[N@@H+](C(C)C)C2 ZINC001570312421 961941417 /nfs/dbraw/zinc/94/14/17/961941417.db2.gz DKEMYZXXOGXSQW-UHFFFAOYSA-N 1 1 286.419 3.383 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@]2(CC[N@H+](C(C)C)C2)C1 ZINC001570273752 961946442 /nfs/dbraw/zinc/94/64/42/961946442.db2.gz VCOZOZCWPFUZHI-QGZVFWFLSA-N 1 1 278.440 3.066 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)CCC)C(C)(C)C1 ZINC001570397939 961960262 /nfs/dbraw/zinc/96/02/62/961960262.db2.gz RFVYVXOFUCRVFD-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC12CC2 ZINC001570534244 961983376 /nfs/dbraw/zinc/98/33/76/961983376.db2.gz FRWAUEBIWKNONA-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)C1(C)CCC(C)CC1 ZINC001570547103 962001834 /nfs/dbraw/zinc/00/18/34/962001834.db2.gz AIIVEIWHWISISL-UPTPFMHGSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)c1cc2cc(C)ccc2[nH]1 ZINC001570728814 962055607 /nfs/dbraw/zinc/05/56/07/962055607.db2.gz XBIYQQXWRDGUKW-AWEZNQCLSA-N 1 1 299.418 3.103 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)c1cccc(Cl)c1 ZINC001570748994 962072936 /nfs/dbraw/zinc/07/29/36/962072936.db2.gz LETANLAMRPQBEJ-ZDUSSCGKSA-N 1 1 294.826 3.356 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCC(C)C)C[C@H]21 ZINC001570930739 962108318 /nfs/dbraw/zinc/10/83/18/962108318.db2.gz CLYOHDBFDDVNGC-OSYLJGHBSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC[N@@H+]1CCCC2(CN(C(=O)C(C)(C)CC=C)C2)C1 ZINC001571043280 962117668 /nfs/dbraw/zinc/11/76/68/962117668.db2.gz APHRDJDFIVFJGN-UHFFFAOYSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)CC[N@H+](C)C1CCN(C(=O)[C@@H](C)C(C)C)CC1 ZINC001571334073 962136664 /nfs/dbraw/zinc/13/66/64/962136664.db2.gz LBCIYMURNYKPTC-HNNXBMFYSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)CCCC)[C@@H]1C ZINC001571515201 962172858 /nfs/dbraw/zinc/17/28/58/962172858.db2.gz PBSLBFMOFDAYLF-GJZGRUSLSA-N 1 1 266.429 3.112 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)CC(C)(C)C)CCC[C@@H]12 ZINC001571494575 962173189 /nfs/dbraw/zinc/17/31/89/962173189.db2.gz FSQOGJOVYRVHTI-RHSMWYFYSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@]12CCC[C@H]1[N@@H+](CC=C)CC2 ZINC001571500728 962173512 /nfs/dbraw/zinc/17/35/12/962173512.db2.gz HMVGXRJNRCXFBT-AEFFLSMTSA-N 1 1 288.435 3.054 20 30 CGEDMO C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)/C=C(\C)CC)CC1 ZINC001571648234 962205019 /nfs/dbraw/zinc/20/50/19/962205019.db2.gz JCPLHMXFFWVRIX-WONIAPNHSA-N 1 1 298.858 3.312 20 30 CGEDMO C#CC[C@@]1(C(=O)O[C@H](C)c2cc(C)ccc2C)CCC[NH2+]1 ZINC001574525275 962307488 /nfs/dbraw/zinc/30/74/88/962307488.db2.gz HGZOIZFERCWYHG-QAPCUYQASA-N 1 1 285.387 3.053 20 30 CGEDMO C#CCN(CCC1C[C@@H](C)C[C@H](C)C1)C1CC[NH2+]CC1 ZINC001574667133 962309505 /nfs/dbraw/zinc/30/95/05/962309505.db2.gz NBQYUZKAXUFHSY-HOTGVXAUSA-N 1 1 276.468 3.136 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@H]2CCN[C@@H](c3ccccc3)C2)s1 ZINC001580065825 962684209 /nfs/dbraw/zinc/68/42/09/962684209.db2.gz TWDONGHFUPPEJO-WMLDXEAASA-N 1 1 297.427 3.203 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[N@@H+]2C1 ZINC001586904875 963147863 /nfs/dbraw/zinc/14/78/63/963147863.db2.gz XWUJGKBDBBYNKC-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000589742333 346810376 /nfs/dbraw/zinc/81/03/76/346810376.db2.gz ICQQDSYKWOKXAK-YESZJQIVSA-N 1 1 254.377 3.416 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000589984675 346820435 /nfs/dbraw/zinc/82/04/35/346820435.db2.gz ANCHFPCGGHCXFP-ZDUSSCGKSA-N 1 1 270.307 3.280 20 30 CGEDMO C=CC[C@H]1CC[C@H]([NH2+]C2CCN(C(C)C)CC2)C1 ZINC000651670596 398265855 /nfs/dbraw/zinc/26/58/55/398265855.db2.gz OAPHQDIINXMJBO-HOCLYGCPSA-N 1 1 250.430 3.194 20 30 CGEDMO C=CC[C@H]1CC[C@@H]([NH2+]C2CCN(CC(C)C)CC2)C1 ZINC000651674439 398267080 /nfs/dbraw/zinc/26/70/80/398267080.db2.gz PCGUOXIZPXSTCJ-DOTOQJQBSA-N 1 1 264.457 3.441 20 30 CGEDMO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCN(CC)C2)C1 ZINC000651692898 398270376 /nfs/dbraw/zinc/27/03/76/398270376.db2.gz WBKJEAVFRXJFRZ-OWCLPIDISA-N 1 1 250.430 3.053 20 30 CGEDMO C=CC[C@H]1CC[C@H]([NH2+]C2CCN(CC3CC3)CC2)C1 ZINC000651682219 398268523 /nfs/dbraw/zinc/26/85/23/398268523.db2.gz QHMNHAHRCJQLML-YOEHRIQHSA-N 1 1 262.441 3.195 20 30 CGEDMO Cc1ncc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)o1 ZINC000459670215 282154623 /nfs/dbraw/zinc/15/46/23/282154623.db2.gz FIZCYEVUAVYXMP-UHFFFAOYSA-N 1 1 295.264 3.163 20 30 CGEDMO CCOc1ccc([C@H](C)[NH2+]CC2(C#N)CCC2)cc1 ZINC000590711953 346866285 /nfs/dbraw/zinc/86/62/85/346866285.db2.gz IXOFBPJKEBRLML-ZDUSSCGKSA-N 1 1 258.365 3.430 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](CCC[C@H]3CCOC3)CC2)cc1 ZINC000592089641 346962128 /nfs/dbraw/zinc/96/21/28/346962128.db2.gz HGNKWOSYWRNTBO-KRWDZBQOSA-N 1 1 296.414 3.464 20 30 CGEDMO Cc1cccc([C@@H]2CC[N@@H+](Cc3ccncc3C#N)C2)c1 ZINC000592101251 346962249 /nfs/dbraw/zinc/96/22/49/346962249.db2.gz PZEXPBOMIWRWEH-QGZVFWFLSA-N 1 1 277.371 3.251 20 30 CGEDMO CC[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccncc1C#N ZINC000592106156 346963173 /nfs/dbraw/zinc/96/31/73/346963173.db2.gz QMPLWFUKJGICEO-GOSISDBHSA-N 1 1 277.371 3.290 20 30 CGEDMO CC[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccncc1C#N ZINC000592106156 346963175 /nfs/dbraw/zinc/96/31/75/346963175.db2.gz QMPLWFUKJGICEO-GOSISDBHSA-N 1 1 277.371 3.290 20 30 CGEDMO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1ccncc1C#N ZINC000592069208 346958966 /nfs/dbraw/zinc/95/89/66/346958966.db2.gz MYKLIYQBIINGSC-WMLDXEAASA-N 1 1 277.371 3.331 20 30 CGEDMO CC[C@@H](C)[C@@H](C)[N@@H+](Cc1ccncc1C#N)C1CC1 ZINC000592067426 346959537 /nfs/dbraw/zinc/95/95/37/346959537.db2.gz PKGCSLXFKGRYDS-CHWSQXEVSA-N 1 1 257.381 3.352 20 30 CGEDMO N#Cc1cnccc1C[N@@H+]1CCSC2(CCCCC2)C1 ZINC000592072833 346960209 /nfs/dbraw/zinc/96/02/09/346960209.db2.gz ZZAMZCPORVSYAP-UHFFFAOYSA-N 1 1 287.432 3.205 20 30 CGEDMO N#Cc1cnccc1C[N@H+]1CCSC2(CCCCC2)C1 ZINC000592072833 346960212 /nfs/dbraw/zinc/96/02/12/346960212.db2.gz ZZAMZCPORVSYAP-UHFFFAOYSA-N 1 1 287.432 3.205 20 30 CGEDMO C[N@@H+](CCC(C)(C)C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000592145009 346967149 /nfs/dbraw/zinc/96/71/49/346967149.db2.gz LTKZVDASHZHMNQ-INIZCTEOSA-N 1 1 299.418 3.032 20 30 CGEDMO N#CCCCC[N@@H+]1CCC[C@H](O)[C@@H]1CCc1ccccc1 ZINC000592166143 346968551 /nfs/dbraw/zinc/96/85/51/346968551.db2.gz GZVRCQOLLIBSSP-ROUUACIJSA-N 1 1 286.419 3.138 20 30 CGEDMO N#CCCCC[N@@H+]1CCC[C@@H](O)[C@H]1CCc1ccccc1 ZINC000592166142 346968770 /nfs/dbraw/zinc/96/87/70/346968770.db2.gz GZVRCQOLLIBSSP-QZTJIDSGSA-N 1 1 286.419 3.138 20 30 CGEDMO CC(C)(C)[C@@H]1CCC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592120494 346964025 /nfs/dbraw/zinc/96/40/25/346964025.db2.gz DCUKHHZYXQSSJW-OAHLLOKOSA-N 1 1 257.381 3.211 20 30 CGEDMO Cc1ccccc1C1([NH2+]Cc2ccncc2C#N)CC1 ZINC000592139415 346966151 /nfs/dbraw/zinc/96/61/51/346966151.db2.gz FPHSCIURRRXRJQ-UHFFFAOYSA-N 1 1 263.344 3.041 20 30 CGEDMO C[C@H]1CC2(C[N@H+]1Cc1ccc(CC#N)cc1)CCOCC2 ZINC000592182522 346970565 /nfs/dbraw/zinc/97/05/65/346970565.db2.gz CKBJNEBTNMRJOA-HNNXBMFYSA-N 1 1 284.403 3.144 20 30 CGEDMO C[N@@H+](CCCC#N)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000347466938 529878812 /nfs/dbraw/zinc/87/88/12/529878812.db2.gz DTKXIYRCKNBCDC-HZPDHXFCSA-N 1 1 272.392 3.468 20 30 CGEDMO CN1C[C@@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)[C@H](c2ccccc2)C1 ZINC000592404323 346985217 /nfs/dbraw/zinc/98/52/17/346985217.db2.gz XMFXXROJZBEGEP-OWYHZJEWSA-N 1 1 297.446 3.004 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]C[C@H](OC(C)C)c1ccccc1 ZINC000573546720 334945780 /nfs/dbraw/zinc/94/57/80/334945780.db2.gz QJEVXZXAJDWMOB-HOTGVXAUSA-N 1 1 260.381 3.435 20 30 CGEDMO N#Cc1ccc2ncc(C[N@H+]3CCCC[C@H]3C3CCC3)n2c1 ZINC000592527129 346996273 /nfs/dbraw/zinc/99/62/73/346996273.db2.gz DHKVBOHDTSUQAV-KRWDZBQOSA-N 1 1 294.402 3.361 20 30 CGEDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1cc(C#N)ccc1C ZINC000592755458 347015713 /nfs/dbraw/zinc/01/57/13/347015713.db2.gz NVKPXDIOJZXYPW-ZDUSSCGKSA-N 1 1 296.374 3.215 20 30 CGEDMO CC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000593013642 347027346 /nfs/dbraw/zinc/02/73/46/347027346.db2.gz LBDZGVOBIYIUJW-CYBMUJFWSA-N 1 1 287.363 3.479 20 30 CGEDMO Cc1cc(C[N@@H+]2CCC[C@@H](OC(C)C)C2)ccc1C#N ZINC000593054680 347033869 /nfs/dbraw/zinc/03/38/69/347033869.db2.gz YYUQFWNTQBZPOC-QGZVFWFLSA-N 1 1 272.392 3.256 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C1CCC1 ZINC000437881760 529984096 /nfs/dbraw/zinc/98/40/96/529984096.db2.gz MNVNNRHNVHRSHG-UHFFFAOYSA-N 1 1 266.291 3.144 20 30 CGEDMO CC[N@@H+]1CC=C(c2c[nH]c3ccc(C#N)cc23)CC1 ZINC000034007797 344937257 /nfs/dbraw/zinc/93/72/57/344937257.db2.gz ZPGKCQHCPGWIES-UHFFFAOYSA-N 1 1 251.333 3.149 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)CC1CCCCC1 ZINC000044715114 345016038 /nfs/dbraw/zinc/01/60/38/345016038.db2.gz FPVPZWGFZZKVNL-UHFFFAOYSA-N 1 1 299.418 3.399 20 30 CGEDMO C[N@@H+](CCCC#N)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132951 345087701 /nfs/dbraw/zinc/08/77/01/345087701.db2.gz FNNOIDVGQPSJFO-DLBZAZTESA-N 1 1 272.392 3.390 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1OC)C[C@@H]1CCCO1 ZINC000051798813 345092869 /nfs/dbraw/zinc/09/28/69/345092869.db2.gz FYEVZPHTZLFXSF-INIZCTEOSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CC[NH+](CC=C)CC(=O)N[C@H](CCC)c1ccccc1 ZINC000052868791 345109114 /nfs/dbraw/zinc/10/91/14/345109114.db2.gz DRWFECQGKDGQOH-QGZVFWFLSA-N 1 1 286.419 3.318 20 30 CGEDMO COc1ccc(Br)cc1C[N@H+](C)CCCC#N ZINC000052896278 345110197 /nfs/dbraw/zinc/11/01/97/345110197.db2.gz SRRQYLMMURWXSH-UHFFFAOYSA-N 1 1 297.196 3.193 20 30 CGEDMO COc1ccc(Br)cc1C[N@@H+](C)CCCC#N ZINC000052896278 345110200 /nfs/dbraw/zinc/11/02/00/345110200.db2.gz SRRQYLMMURWXSH-UHFFFAOYSA-N 1 1 297.196 3.193 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000054993389 345142188 /nfs/dbraw/zinc/14/21/88/345142188.db2.gz VDFJKBSMUCEKJB-QGZVFWFLSA-N 1 1 286.419 3.248 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000067202352 345316291 /nfs/dbraw/zinc/31/62/91/345316291.db2.gz MDKKMMSZYHTATJ-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@H+](CCn1nc(C)cc1C)Cc1cccc(C#N)c1 ZINC000068815964 345365044 /nfs/dbraw/zinc/36/50/44/345365044.db2.gz LRCSVQITVJLHFK-UHFFFAOYSA-N 1 1 294.402 3.060 20 30 CGEDMO C=CC[N@@H+](CCCN1CCCC1=O)CC1CCCCC1 ZINC000069860158 345386220 /nfs/dbraw/zinc/38/62/20/345386220.db2.gz MDQWPUXJVZWHJT-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO CCC[N@H+](Cc1ccccc1)C[C@H](C#N)CCC#N ZINC000072589861 345413752 /nfs/dbraw/zinc/41/37/52/345413752.db2.gz CSPYEVSXSVMDBN-INIZCTEOSA-N 1 1 255.365 3.342 20 30 CGEDMO CC[C@H]1C[C@H](C)C[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000075022026 345490461 /nfs/dbraw/zinc/49/04/61/345490461.db2.gz QJCJYTFAWUMZPF-HOTGVXAUSA-N 1 1 299.418 3.054 20 30 CGEDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075021474 345491176 /nfs/dbraw/zinc/49/11/76/345491176.db2.gz JDYQQNABLKOCNL-SWLSCSKDSA-N 1 1 296.374 3.229 20 30 CGEDMO C[C@@H]1CCCCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075744553 345520924 /nfs/dbraw/zinc/52/09/24/345520924.db2.gz CCTOLIHIDILALS-CYBMUJFWSA-N 1 1 296.374 3.373 20 30 CGEDMO COCC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000077183493 345558535 /nfs/dbraw/zinc/55/85/35/345558535.db2.gz DDYIISCMMSOELT-UHFFFAOYSA-N 1 1 298.361 3.346 20 30 CGEDMO C=CC[C@@H](CC)NC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000623990402 349937940 /nfs/dbraw/zinc/93/79/40/349937940.db2.gz BRDIOSCJRWNTRF-GDBMZVCRSA-N 1 1 293.455 3.047 20 30 CGEDMO N#Cc1cccc(Cl)c1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000091479947 345816314 /nfs/dbraw/zinc/81/63/14/345816314.db2.gz WHFOUVWOYFOPHA-GFCCVEGCSA-N 1 1 286.766 3.319 20 30 CGEDMO N#Cc1ccc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1Cl ZINC000091480042 345816326 /nfs/dbraw/zinc/81/63/26/345816326.db2.gz OWLLDFGNQZOGMV-LBPRGKRZSA-N 1 1 286.766 3.319 20 30 CGEDMO Cc1ncc([C@H](C)[NH2+]Cc2cc(C#N)ccc2F)s1 ZINC000090117983 345783923 /nfs/dbraw/zinc/78/39/23/345783923.db2.gz RKAMGFZFUJKHBV-VIFPVBQESA-N 1 1 275.352 3.313 20 30 CGEDMO C=C(C)COCCNC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000090450903 345788116 /nfs/dbraw/zinc/78/81/16/345788116.db2.gz XDEFJPYWHRQHOJ-WMZOPIPTSA-N 1 1 294.483 3.212 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H](CNc2snc(Cl)c2C#N)C1 ZINC000092626545 345848154 /nfs/dbraw/zinc/84/81/54/345848154.db2.gz SLGKBMZIOROPCQ-JTQLQIEISA-N 1 1 298.843 3.200 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@@H](COCC)C1 ZINC000093838974 345889343 /nfs/dbraw/zinc/88/93/43/345889343.db2.gz MZILDDFAVTXAFT-OAHLLOKOSA-N 1 1 275.392 3.110 20 30 CGEDMO CC[N@H+](CCOC1CCCCCC1)C[C@H](C)C#N ZINC000122900264 346007215 /nfs/dbraw/zinc/00/72/15/346007215.db2.gz YIWGLEGEXZUOTN-CQSZACIVSA-N 1 1 252.402 3.207 20 30 CGEDMO CC[N@@H+](CCOC1CCCCCC1)C[C@H](C)C#N ZINC000122900264 346007218 /nfs/dbraw/zinc/00/72/18/346007218.db2.gz YIWGLEGEXZUOTN-CQSZACIVSA-N 1 1 252.402 3.207 20 30 CGEDMO C[N@H+](Cc1cn2ccccc2c1C#N)Cc1ccccc1 ZINC000141199300 346107549 /nfs/dbraw/zinc/10/75/49/346107549.db2.gz MQCYOOWIZNECHO-UHFFFAOYSA-N 1 1 275.355 3.443 20 30 CGEDMO C[N@@H+](Cc1cn2ccccc2c1C#N)Cc1ccccc1 ZINC000141199300 346107550 /nfs/dbraw/zinc/10/75/50/346107550.db2.gz MQCYOOWIZNECHO-UHFFFAOYSA-N 1 1 275.355 3.443 20 30 CGEDMO C[C@H]([N@@H+](C)CCOc1ccccc1C#N)C1(C)CC1 ZINC000177239043 232358328 /nfs/dbraw/zinc/35/83/28/232358328.db2.gz LYTYDRXKLKECJG-ZDUSSCGKSA-N 1 1 258.365 3.057 20 30 CGEDMO C=CCCCCC[N@@H+](C)Cc1nnc(C)n1C1CC1 ZINC000150873168 346134618 /nfs/dbraw/zinc/13/46/18/346134618.db2.gz NUTGEJQVIPUGNQ-UHFFFAOYSA-N 1 1 262.401 3.100 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1nnc(C)n1C1CC1 ZINC000150873168 346134619 /nfs/dbraw/zinc/13/46/19/346134619.db2.gz NUTGEJQVIPUGNQ-UHFFFAOYSA-N 1 1 262.401 3.100 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)ccc1F ZINC000177503812 232368538 /nfs/dbraw/zinc/36/85/38/232368538.db2.gz XGGVRWAUBMYWTB-LBPRGKRZSA-N 1 1 286.272 3.472 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)ccc1F ZINC000177503812 232368540 /nfs/dbraw/zinc/36/85/40/232368540.db2.gz XGGVRWAUBMYWTB-LBPRGKRZSA-N 1 1 286.272 3.472 20 30 CGEDMO CC(C)[N@@H+](CCC#N)C[C@H]1CCOc2ccccc21 ZINC000162733517 346179175 /nfs/dbraw/zinc/17/91/75/346179175.db2.gz BSIFLKGEFDIRSY-CQSZACIVSA-N 1 1 258.365 3.177 20 30 CGEDMO C[C@@H]([NH2+]Cc1nccn1C(F)F)c1cccc(C#N)c1 ZINC000174431743 346241850 /nfs/dbraw/zinc/24/18/50/346241850.db2.gz YMUWTHXCOBWTKM-SNVBAGLBSA-N 1 1 276.290 3.001 20 30 CGEDMO CCO[C@@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000233768311 346329938 /nfs/dbraw/zinc/32/99/38/346329938.db2.gz MSUKYAFKYHHORV-CQSZACIVSA-N 1 1 252.402 3.207 20 30 CGEDMO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1cccc(C#N)c1F ZINC000230616857 346321550 /nfs/dbraw/zinc/32/15/50/346321550.db2.gz MYWQNXKEPPUMIO-SECBINFHSA-N 1 1 273.311 3.153 20 30 CGEDMO C[C@@H]1C[C@@H](C)CN(C(C)(C)C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000237546737 346346446 /nfs/dbraw/zinc/34/64/46/346346446.db2.gz QNKYRLCAJFLXDJ-HZPDHXFCSA-N 1 1 299.462 3.404 20 30 CGEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2cccc(C#N)n2)C1 ZINC000339217872 215020107 /nfs/dbraw/zinc/02/01/07/215020107.db2.gz LNPPMNFMYPODAS-YOEHRIQHSA-N 1 1 292.386 3.201 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc(Cl)c(OC)c(OC)c1 ZINC000343480322 346505962 /nfs/dbraw/zinc/50/59/62/346505962.db2.gz ZLSUPSNTAXCLHP-UHFFFAOYSA-N 1 1 269.772 3.365 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC000593616280 347095295 /nfs/dbraw/zinc/09/52/95/347095295.db2.gz YRDMVQHVZCHKHM-KRWDZBQOSA-N 1 1 254.377 3.301 20 30 CGEDMO CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC1(CC#N)CC1 ZINC000383095611 346562113 /nfs/dbraw/zinc/56/21/13/346562113.db2.gz ZEYQBYZKCJKBOZ-GOSISDBHSA-N 1 1 297.446 3.134 20 30 CGEDMO Cc1cc(C[NH2+][C@H](C)CC#N)ccc1Br ZINC000389660891 346572884 /nfs/dbraw/zinc/57/28/84/346572884.db2.gz HCIFRKIYHVOAHO-SNVBAGLBSA-N 1 1 267.170 3.149 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@H]1CCO[C@@H](C)C1 ZINC000491147433 346627483 /nfs/dbraw/zinc/62/74/83/346627483.db2.gz RLHIMFNMTQKFHH-HOCLYGCPSA-N 1 1 275.367 3.076 20 30 CGEDMO C[C@H]1CC[C@]2(CC[N@@H+](Cc3ccc(C#N)cc3[N+](=O)[O-])C2)C1 ZINC000584722476 346710180 /nfs/dbraw/zinc/71/01/80/346710180.db2.gz NZSRLNLORLGYHL-GUYCJALGSA-N 1 1 299.374 3.479 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)CCCCCC#N)C1 ZINC000588295431 346759113 /nfs/dbraw/zinc/75/91/13/346759113.db2.gz GCISPWKAFVTBOI-MRXNPFEDSA-N 1 1 293.455 3.089 20 30 CGEDMO C=CCN(C(=O)C[N@H+](C)CC(C)(C)C)c1ccccc1 ZINC000588901333 346773518 /nfs/dbraw/zinc/77/35/18/346773518.db2.gz IPOKBOMDPDYGSO-UHFFFAOYSA-N 1 1 274.408 3.184 20 30 CGEDMO CC[C@H](CC#N)[NH2+]C[C@H](OC)c1ccc(Cl)cc1 ZINC000594006549 347135670 /nfs/dbraw/zinc/13/56/70/347135670.db2.gz FZLFEKIPWQJCGS-KGLIPLIRSA-N 1 1 266.772 3.309 20 30 CGEDMO C[C@@H]1C[N@@H+](CCC(C)(C)C#N)CC2(CCCCC2)O1 ZINC000594057231 347146914 /nfs/dbraw/zinc/14/69/14/347146914.db2.gz BMHUZNRALOCBPQ-CQSZACIVSA-N 1 1 264.413 3.350 20 30 CGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CCCCC#N)C1 ZINC000593967743 347125739 /nfs/dbraw/zinc/12/57/39/347125739.db2.gz XNLZYNONPINGRF-WBVHZDCISA-N 1 1 299.418 3.022 20 30 CGEDMO N#Cc1cnc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c(Cl)c1 ZINC000594604030 347200783 /nfs/dbraw/zinc/20/07/83/347200783.db2.gz WQHCRHMWDFFTEP-ZIAGYGMSSA-N 1 1 290.798 3.035 20 30 CGEDMO CC[N@@H+]1CCC[C@@H](CNCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594501898 347180305 /nfs/dbraw/zinc/18/03/05/347180305.db2.gz DSDVEBLLNZKQPG-KRWDZBQOSA-N 1 1 299.462 3.309 20 30 CGEDMO CC[N@H+]1CCC[C@@H](CNCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594501898 347180307 /nfs/dbraw/zinc/18/03/07/347180307.db2.gz DSDVEBLLNZKQPG-KRWDZBQOSA-N 1 1 299.462 3.309 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@H]1CSc1ccncc1C#N ZINC000594908945 347227457 /nfs/dbraw/zinc/22/74/57/347227457.db2.gz PKIRYUHUDVLXIR-AWEZNQCLSA-N 1 1 275.421 3.308 20 30 CGEDMO CCC[N@@H+](CC)C[C@@H](C)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594943969 347237697 /nfs/dbraw/zinc/23/76/97/347237697.db2.gz MWZRUUMWPINIKL-MRXNPFEDSA-N 1 1 299.462 3.452 20 30 CGEDMO CCCN(CC)C[C@@H](C)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594943969 347237699 /nfs/dbraw/zinc/23/76/99/347237699.db2.gz MWZRUUMWPINIKL-MRXNPFEDSA-N 1 1 299.462 3.452 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595290475 347287442 /nfs/dbraw/zinc/28/74/42/347287442.db2.gz COJGQABGSYHSGB-UHFFFAOYSA-N 1 1 252.289 3.132 20 30 CGEDMO C[C@H](C1CC1)[N@@H+](CCc1ccc(C#N)cc1)C1CC1 ZINC000595291943 347287617 /nfs/dbraw/zinc/28/76/17/347287617.db2.gz YKTQPNOMOIVDQC-CYBMUJFWSA-N 1 1 254.377 3.364 20 30 CGEDMO Cc1cc([C@H]2CCC[N@H+]2CCc2ccc(C#N)cc2)on1 ZINC000595299168 347289168 /nfs/dbraw/zinc/28/91/68/347289168.db2.gz WZHKFSCGNWIIBS-MRXNPFEDSA-N 1 1 281.359 3.234 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000595611714 347326417 /nfs/dbraw/zinc/32/64/17/347326417.db2.gz NJWSTYWSSVLGRQ-AWEZNQCLSA-N 1 1 281.359 3.467 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000595611714 347326420 /nfs/dbraw/zinc/32/64/20/347326420.db2.gz NJWSTYWSSVLGRQ-AWEZNQCLSA-N 1 1 281.359 3.467 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000595612171 347327865 /nfs/dbraw/zinc/32/78/65/347327865.db2.gz SKJOPAUQBKGZKX-ZDUSSCGKSA-N 1 1 283.350 3.500 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](CCN2CCCc3ccccc32)C1 ZINC000595621046 347328604 /nfs/dbraw/zinc/32/86/04/347328604.db2.gz ROAHXVBPWNCVAW-INIZCTEOSA-N 1 1 283.419 3.065 20 30 CGEDMO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000595670755 347335083 /nfs/dbraw/zinc/33/50/83/347335083.db2.gz CFYRWTDJHAKZQR-LRDDRELGSA-N 1 1 292.810 3.195 20 30 CGEDMO C[C@@H](CO)[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000595670755 347335087 /nfs/dbraw/zinc/33/50/87/347335087.db2.gz CFYRWTDJHAKZQR-LRDDRELGSA-N 1 1 292.810 3.195 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cc(C(=O)OC)c(C)o2)C1 ZINC000595661391 347335136 /nfs/dbraw/zinc/33/51/36/347335136.db2.gz ZYUPLCPWZIFOBX-CYBMUJFWSA-N 1 1 277.364 3.163 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595781893 347355108 /nfs/dbraw/zinc/35/51/08/347355108.db2.gz UZWWGIYCJHBSHK-RDBSUJKOSA-N 1 1 258.365 3.119 20 30 CGEDMO COCC[N@@H+](CCc1ccc(C#N)cc1)[C@@H]1CC[C@@H](C)C1 ZINC000595462254 347306618 /nfs/dbraw/zinc/30/66/18/347306618.db2.gz SLKONSCRKQWQEW-CRAIPNDOSA-N 1 1 286.419 3.238 20 30 CGEDMO C[C@H]1C[N@@H+](CCc2ccc(C#N)cc2)CCC1(F)F ZINC000595490381 347311097 /nfs/dbraw/zinc/31/10/97/347311097.db2.gz QXQLZYLSLMLMDC-LBPRGKRZSA-N 1 1 264.319 3.078 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000595838266 347364557 /nfs/dbraw/zinc/36/45/57/347364557.db2.gz ULHSQTHIJJEDKL-OAHLLOKOSA-N 1 1 299.374 3.479 20 30 CGEDMO Cc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)c2ccccc2n1 ZINC000595839029 347364668 /nfs/dbraw/zinc/36/46/68/347364668.db2.gz YJNAFAISOQLELN-KRWDZBQOSA-N 1 1 265.360 3.279 20 30 CGEDMO Cc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)c2ccccc2n1 ZINC000595839029 347364669 /nfs/dbraw/zinc/36/46/69/347364669.db2.gz YJNAFAISOQLELN-KRWDZBQOSA-N 1 1 265.360 3.279 20 30 CGEDMO C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CC[C@](C)(C#N)C1 ZINC000595841349 347365589 /nfs/dbraw/zinc/36/55/89/347365589.db2.gz KOKNPQOSMYRKHW-CXAGYDPISA-N 1 1 254.377 3.472 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC000595842237 347366208 /nfs/dbraw/zinc/36/62/08/347366208.db2.gz QHMKMTWTJJEXLL-OKILXGFUSA-N 1 1 258.321 3.278 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccsc1C(=O)OC ZINC000595844142 347366292 /nfs/dbraw/zinc/36/62/92/347366292.db2.gz AOJPPALAENXJAF-BETUJISGSA-N 1 1 277.389 3.218 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(CC#N)cc1 ZINC000595845310 347367242 /nfs/dbraw/zinc/36/72/42/347367242.db2.gz LCIZQKRCZGNRMU-CALCHBBNSA-N 1 1 252.361 3.436 20 30 CGEDMO C[N@@H+](C[C@@H]1CCc2ccccc21)[C@@H]1CC[C@H](C#N)C1 ZINC000595878216 347369932 /nfs/dbraw/zinc/36/99/32/347369932.db2.gz MBDRMSQZBJRFAH-CWRNSKLLSA-N 1 1 254.377 3.340 20 30 CGEDMO C[C@]1(C(F)F)C[N@H+](CCC2(C#N)CCCCC2)CCO1 ZINC000595917914 347372513 /nfs/dbraw/zinc/37/25/13/347372513.db2.gz PLCWIUIWPRIMCP-CQSZACIVSA-N 1 1 286.366 3.207 20 30 CGEDMO C[C@]1(C(F)F)C[N@@H+](CCC2(C#N)CCCCC2)CCO1 ZINC000595917914 347372516 /nfs/dbraw/zinc/37/25/16/347372516.db2.gz PLCWIUIWPRIMCP-CQSZACIVSA-N 1 1 286.366 3.207 20 30 CGEDMO N#Cc1ccc(C(F)(F)F)c(N[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000596091042 347382587 /nfs/dbraw/zinc/38/25/87/347382587.db2.gz FXSXCHNSIDKVGC-LLVKDONJSA-N 1 1 295.308 3.226 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596599223 347486034 /nfs/dbraw/zinc/48/60/34/347486034.db2.gz RIQPVLXVFHKRKG-ZDUSSCGKSA-N 1 1 294.402 3.427 20 30 CGEDMO CCC[N@H+]1CC[C@@H](Nc2nc(C(C)(C)C)ccc2C#N)C1 ZINC000596518902 347473386 /nfs/dbraw/zinc/47/33/86/347473386.db2.gz ZCVWMTKPAGSEFG-CQSZACIVSA-N 1 1 286.423 3.147 20 30 CGEDMO N#Cc1ccc(NC[C@H]2CC[N@H+]2Cc2ccccc2)cc1 ZINC000596551067 347478658 /nfs/dbraw/zinc/47/86/58/347478658.db2.gz BPOKJVOJYKIHQN-GOSISDBHSA-N 1 1 277.371 3.245 20 30 CGEDMO N#Cc1ccc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c(F)c1 ZINC000596571558 347480991 /nfs/dbraw/zinc/48/09/91/347480991.db2.gz VXHBWLWBJSUVOT-HNNXBMFYSA-N 1 1 287.382 3.231 20 30 CGEDMO CC(C)N(C)c1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cn1 ZINC000597176288 347544612 /nfs/dbraw/zinc/54/46/12/347544612.db2.gz HIIWLSZVHBQKEQ-OAHLLOKOSA-N 1 1 286.423 3.052 20 30 CGEDMO CC[C@@]1(C)COCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597089089 347535664 /nfs/dbraw/zinc/53/56/64/347535664.db2.gz UBVBNCYIDBQDDE-KRWDZBQOSA-N 1 1 284.403 3.243 20 30 CGEDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597117526 347536346 /nfs/dbraw/zinc/53/63/46/347536346.db2.gz USKMKCCZZWGZPV-QAPCUYQASA-N 1 1 298.430 3.367 20 30 CGEDMO C[C@H]1CSCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597112835 347536685 /nfs/dbraw/zinc/53/66/85/347536685.db2.gz JDSFQASDHZPASS-CQSZACIVSA-N 1 1 286.444 3.427 20 30 CGEDMO COC[C@H]1CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597144118 347540098 /nfs/dbraw/zinc/54/00/98/347540098.db2.gz DUPZLUJRWQJNPT-KRWDZBQOSA-N 1 1 298.430 3.490 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3CCO[C@@H](C4CCC4)C3)cc2)CC1 ZINC000597152030 347540562 /nfs/dbraw/zinc/54/05/62/347540562.db2.gz VMWQFGRPXWPGEU-GOSISDBHSA-N 1 1 296.414 3.243 20 30 CGEDMO COc1ccccc1/C=C\C[N@H+]1CCC[C@H](CC#N)C1 ZINC000597173640 347543330 /nfs/dbraw/zinc/54/33/30/347543330.db2.gz LMQTXWHNFFCRHU-GTBONMDNSA-N 1 1 270.376 3.334 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000597232066 347559670 /nfs/dbraw/zinc/55/96/70/347559670.db2.gz RSZXXJNVXMAFCD-KRWDZBQOSA-N 1 1 270.376 3.211 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000597232066 347559674 /nfs/dbraw/zinc/55/96/74/347559674.db2.gz RSZXXJNVXMAFCD-KRWDZBQOSA-N 1 1 270.376 3.211 20 30 CGEDMO N#CCC1C[NH+](Cc2ccc(-c3ccccc3F)o2)C1 ZINC000597193874 347548686 /nfs/dbraw/zinc/54/86/86/347548686.db2.gz KFMKMYYDZOBPIG-UHFFFAOYSA-N 1 1 270.307 3.431 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1nccnc1C ZINC000598677832 347678080 /nfs/dbraw/zinc/67/80/80/347678080.db2.gz BKGNHSLYBIHOSL-UHFFFAOYSA-N 1 1 280.375 3.069 20 30 CGEDMO C[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(C#N)ccc32)CC1(C)C ZINC000598973984 347702596 /nfs/dbraw/zinc/70/25/96/347702596.db2.gz JFIQCSBXDBVGMY-DOTOQJQBSA-N 1 1 283.419 3.008 20 30 CGEDMO CN1CC[C@H]([NH2+][C@@H]2CCc3cc(C#N)ccc32)CC1(C)C ZINC000598973984 347702598 /nfs/dbraw/zinc/70/25/98/347702598.db2.gz JFIQCSBXDBVGMY-DOTOQJQBSA-N 1 1 283.419 3.008 20 30 CGEDMO C[N@@H+]1CC[C@H](N[C@@H]2CCc3cc(C#N)ccc32)CC1(C)C ZINC000598973984 347702601 /nfs/dbraw/zinc/70/26/01/347702601.db2.gz JFIQCSBXDBVGMY-DOTOQJQBSA-N 1 1 283.419 3.008 20 30 CGEDMO C[N@H+]1CC[C@H](N[C@@H]2CCc3cc(C#N)ccc32)CC1(C)C ZINC000598973984 347702604 /nfs/dbraw/zinc/70/26/04/347702604.db2.gz JFIQCSBXDBVGMY-DOTOQJQBSA-N 1 1 283.419 3.008 20 30 CGEDMO C[N@@H+]1CCCC[C@H](CNCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000598993884 347704742 /nfs/dbraw/zinc/70/47/42/347704742.db2.gz DNASJDGGYBNFQU-QGZVFWFLSA-N 1 1 299.462 3.309 20 30 CGEDMO C[N@H+]1CCCC[C@H](CNCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000598993884 347704746 /nfs/dbraw/zinc/70/47/46/347704746.db2.gz DNASJDGGYBNFQU-QGZVFWFLSA-N 1 1 299.462 3.309 20 30 CGEDMO C[N@H+](Cc1ccc(Cl)s1)C[C@@H](O)CC(C)(C)C#N ZINC000598584697 347666098 /nfs/dbraw/zinc/66/60/98/347666098.db2.gz SCSWPCAXINENFR-JTQLQIEISA-N 1 1 286.828 3.134 20 30 CGEDMO Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598586467 347666885 /nfs/dbraw/zinc/66/68/85/347666885.db2.gz WBPWOTGOKZUBHE-CABCVRRESA-N 1 1 274.408 3.289 20 30 CGEDMO CC1CCC([N@@H+](C[C@@H](O)CC(C)(C)C#N)C2CC2)CC1 ZINC000598585579 347666928 /nfs/dbraw/zinc/66/69/28/347666928.db2.gz GFPARBXNHVXARQ-XUJLQICISA-N 1 1 278.440 3.330 20 30 CGEDMO CC[C@H](C)[C@@H](C)[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1CC1 ZINC000598589304 347667372 /nfs/dbraw/zinc/66/73/72/347667372.db2.gz HXHQPLDYOIXXOQ-GUTXKFCHSA-N 1 1 266.429 3.186 20 30 CGEDMO Cc1ccc([C@@H]2CCCC[N@H+]2C[C@@H](O)CC(C)(C)C#N)o1 ZINC000598593515 347668480 /nfs/dbraw/zinc/66/84/80/347668480.db2.gz UHEIHSXTMKGUCS-GJZGRUSLSA-N 1 1 290.407 3.416 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000598596541 347669340 /nfs/dbraw/zinc/66/93/40/347669340.db2.gz SMZDYLQVMZIZSA-GJZGRUSLSA-N 1 1 292.810 3.388 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CC[C@@H]([C@@H]2CCCC2(C)C)C1 ZINC000598624417 347672449 /nfs/dbraw/zinc/67/24/49/347672449.db2.gz GZYBXESLRQXTFW-PMPSAXMXSA-N 1 1 292.467 3.435 20 30 CGEDMO N#CCc1cccc2c1CC[N@H+](CC#Cc1ccccc1)C2 ZINC000599677950 347764804 /nfs/dbraw/zinc/76/48/04/347764804.db2.gz NOJYZPNLKUKSOE-UHFFFAOYSA-N 1 1 286.378 3.162 20 30 CGEDMO N#CCc1cccc2c1CC[N@@H+](CC#Cc1ccccc1)C2 ZINC000599677950 347764808 /nfs/dbraw/zinc/76/48/08/347764808.db2.gz NOJYZPNLKUKSOE-UHFFFAOYSA-N 1 1 286.378 3.162 20 30 CGEDMO CO[C@H](C[N@H+]1CCc2c(CC#N)cccc2C1)C1CCCC1 ZINC000599679015 347765404 /nfs/dbraw/zinc/76/54/04/347765404.db2.gz VAWYZYUIHGQWIK-LJQANCHMSA-N 1 1 298.430 3.316 20 30 CGEDMO COC[C@@H](C)[N@@H+](CCCC#N)[C@H]1CCc2ccccc21 ZINC000599683329 347765922 /nfs/dbraw/zinc/76/59/22/347765922.db2.gz RGSUBACYBSXJCU-PBHICJAKSA-N 1 1 272.392 3.315 20 30 CGEDMO COC[C@H](C)[N@@H+](CC1(C#N)CC1)[C@H]1CCc2ccccc21 ZINC000599684248 347765952 /nfs/dbraw/zinc/76/59/52/347765952.db2.gz XHOWIDHHYGPVIR-YOEHRIQHSA-N 1 1 284.403 3.315 20 30 CGEDMO N#CCC[N@@H+](Cc1ccc2[nH]ccc2c1)CC1CC1 ZINC000600118543 347782077 /nfs/dbraw/zinc/78/20/77/347782077.db2.gz YCJNROOGFYNFNH-UHFFFAOYSA-N 1 1 253.349 3.294 20 30 CGEDMO N#CCC[N@H+](Cc1ccc2[nH]ccc2c1)CC1CC1 ZINC000600118543 347782079 /nfs/dbraw/zinc/78/20/79/347782079.db2.gz YCJNROOGFYNFNH-UHFFFAOYSA-N 1 1 253.349 3.294 20 30 CGEDMO Cc1ccc(C[N@H+](Cc2ccccc2)C[C@@H](C)O)cc1C#N ZINC000599298877 347733259 /nfs/dbraw/zinc/73/32/59/347733259.db2.gz AGPMCLRZOAVKJZ-MRXNPFEDSA-N 1 1 294.398 3.250 20 30 CGEDMO Cc1ccc(C[N@@H+](Cc2cccnc2)C2CC2)cc1C#N ZINC000599335691 347737121 /nfs/dbraw/zinc/73/71/21/347737121.db2.gz AILLJSSMHZCKGR-UHFFFAOYSA-N 1 1 277.371 3.426 20 30 CGEDMO C[C@H]1C[NH+](Cc2cc(C#N)ccc2F)C[C@H](C)C1(F)F ZINC000599512250 347748939 /nfs/dbraw/zinc/74/89/39/347748939.db2.gz GUMVCKFGYDLATN-QWRGUYRKSA-N 1 1 282.309 3.420 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000599526691 347750474 /nfs/dbraw/zinc/75/04/74/347750474.db2.gz PLBOGTDGXALYAT-SNVBAGLBSA-N 1 1 252.339 3.054 20 30 CGEDMO C[C@@H](C[N@@H+](C)C[C@H](O)CC(C)(C)C#N)C1CCCCC1 ZINC000599633337 347760705 /nfs/dbraw/zinc/76/07/05/347760705.db2.gz QTVDTQRLQZBQTB-GOEBONIOSA-N 1 1 280.456 3.435 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000600174354 347789101 /nfs/dbraw/zinc/78/91/01/347789101.db2.gz MNCDIWIBOMFDPL-CQSZACIVSA-N 1 1 282.309 3.483 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000600174354 347789103 /nfs/dbraw/zinc/78/91/03/347789103.db2.gz MNCDIWIBOMFDPL-CQSZACIVSA-N 1 1 282.309 3.483 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2ncc(CSC)s2)C1 ZINC000600187579 347790908 /nfs/dbraw/zinc/79/09/08/347790908.db2.gz ZIQZETWLPBVHFM-LLVKDONJSA-N 1 1 268.451 3.404 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ncc(CSC)s2)C1 ZINC000600187579 347790912 /nfs/dbraw/zinc/79/09/12/347790912.db2.gz ZIQZETWLPBVHFM-LLVKDONJSA-N 1 1 268.451 3.404 20 30 CGEDMO N#CC1(C[C@H](O)C[N@H+]2CC3(CCC3)[C@@H]2c2ccccc2)CC1 ZINC000601957935 347929340 /nfs/dbraw/zinc/92/93/40/347929340.db2.gz KICJXEDINLMTST-IRXDYDNUSA-N 1 1 296.414 3.268 20 30 CGEDMO Cc1nc(C)c(C[NH2+]Cc2cccc(F)c2C#N)s1 ZINC000602012327 347932653 /nfs/dbraw/zinc/93/26/53/347932653.db2.gz UPEFOOCPZIRDJM-UHFFFAOYSA-N 1 1 275.352 3.061 20 30 CGEDMO CC[N@@H+](Cc1cccs1)Cc1cccc(C#N)n1 ZINC000602430522 347956508 /nfs/dbraw/zinc/95/65/08/347956508.db2.gz AVDLGPUVOKTNOK-UHFFFAOYSA-N 1 1 257.362 3.037 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCCCC[C@@H]2c2ccncc2)n1 ZINC000602427292 347956569 /nfs/dbraw/zinc/95/65/69/347956569.db2.gz DMVVSIDHHGJRNC-GOSISDBHSA-N 1 1 292.386 3.466 20 30 CGEDMO Cc1ccccc1C[NH+]1CCN(C[C@@H](C)CCC#N)CC1 ZINC000602434829 347957451 /nfs/dbraw/zinc/95/74/51/347957451.db2.gz QPVCKECOYKHYFC-INIZCTEOSA-N 1 1 285.435 3.053 20 30 CGEDMO CO[C@](C)(C[N@@H+](Cc1ccc(C#N)cc1)C1CC1)C1CC1 ZINC000602442045 347958766 /nfs/dbraw/zinc/95/87/66/347958766.db2.gz RYKYEIGWHZXOOM-GOSISDBHSA-N 1 1 284.403 3.338 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cccc(C#N)n2)[C@H]2CCCC[C@@H]12 ZINC000602444333 347959473 /nfs/dbraw/zinc/95/94/73/347959473.db2.gz GPAIOEFFZWMLBW-COXVUDFISA-N 1 1 269.392 3.354 20 30 CGEDMO CC[N@H+](C[C@@H](C)C#N)[C@@H]1CCc2cc(OC)c(OC)cc21 ZINC000602448445 347960075 /nfs/dbraw/zinc/96/00/75/347960075.db2.gz UFRIHXBWIZUWDD-SWLSCSKDSA-N 1 1 288.391 3.173 20 30 CGEDMO CC[N@@H+](C[C@@H](C)C#N)[C@@H]1CCc2cc(OC)c(OC)cc21 ZINC000602448445 347960079 /nfs/dbraw/zinc/96/00/79/347960079.db2.gz UFRIHXBWIZUWDD-SWLSCSKDSA-N 1 1 288.391 3.173 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000602457243 347961165 /nfs/dbraw/zinc/96/11/65/347961165.db2.gz CKGHDAQKIDAKOK-HLLBOEOZSA-N 1 1 272.392 3.388 20 30 CGEDMO Cc1cc([C@H]2C[N@H+](C[C@H](C)CCC#N)CCO2)ccc1F ZINC000602477785 347964763 /nfs/dbraw/zinc/96/47/63/347964763.db2.gz UEWZOLGQOROECD-CXAGYDPISA-N 1 1 290.382 3.447 20 30 CGEDMO Cc1cc([C@H]2C[N@@H+](C[C@H](C)CCC#N)CCO2)ccc1F ZINC000602477785 347964764 /nfs/dbraw/zinc/96/47/64/347964764.db2.gz UEWZOLGQOROECD-CXAGYDPISA-N 1 1 290.382 3.447 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000602475535 347965098 /nfs/dbraw/zinc/96/50/98/347965098.db2.gz KSXUJGRDBDKTBS-HLLBOEOZSA-N 1 1 272.392 3.388 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCCC[C@@H]1c1cccn1C ZINC000602485278 347967668 /nfs/dbraw/zinc/96/76/68/347967668.db2.gz RAYXYZSDURPZPU-GOEBONIOSA-N 1 1 259.397 3.492 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000602487024 347967716 /nfs/dbraw/zinc/96/77/16/347967716.db2.gz YQDYTPBEFOOCCP-NSHDSACASA-N 1 1 264.319 3.263 20 30 CGEDMO CC(C)Oc1cccc(C[N@H+](C)Cc2cccc(C#N)n2)c1 ZINC000602486057 347967945 /nfs/dbraw/zinc/96/79/45/347967945.db2.gz USZBPCVJEDBIOW-UHFFFAOYSA-N 1 1 295.386 3.372 20 30 CGEDMO CC(C)Oc1cccc(C[N@@H+](C)Cc2cccc(C#N)n2)c1 ZINC000602486057 347967948 /nfs/dbraw/zinc/96/79/48/347967948.db2.gz USZBPCVJEDBIOW-UHFFFAOYSA-N 1 1 295.386 3.372 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1CC1(CC#N)CC1 ZINC000602780292 348027604 /nfs/dbraw/zinc/02/76/04/348027604.db2.gz GJCSQCVWNOVOHI-KRWDZBQOSA-N 1 1 297.446 3.277 20 30 CGEDMO C[C@H]1CCN(Cc2ccccc2)CC[N@@H+]1CC1(CC#N)CC1 ZINC000602780292 348027607 /nfs/dbraw/zinc/02/76/07/348027607.db2.gz GJCSQCVWNOVOHI-KRWDZBQOSA-N 1 1 297.446 3.277 20 30 CGEDMO C[C@H]1CCN(Cc2ccccc2)CC[N@H+]1CC1(CC#N)CC1 ZINC000602780292 348027610 /nfs/dbraw/zinc/02/76/10/348027610.db2.gz GJCSQCVWNOVOHI-KRWDZBQOSA-N 1 1 297.446 3.277 20 30 CGEDMO C[N@@H+](CC1(CC#N)CC1)[C@H]1CCCN(c2ccccc2)C1 ZINC000602777662 348027679 /nfs/dbraw/zinc/02/76/79/348027679.db2.gz JRCDXQJSFQVGFV-KRWDZBQOSA-N 1 1 283.419 3.281 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000602612080 347993910 /nfs/dbraw/zinc/99/39/10/347993910.db2.gz YZBOTASQWHRAKF-FUHWJXTLSA-N 1 1 283.419 3.139 20 30 CGEDMO COCc1ccc([C@H]2CCC[N@@H+]2Cc2cccc(C#N)n2)o1 ZINC000602612431 347993977 /nfs/dbraw/zinc/99/39/77/347993977.db2.gz RJBZHIUZVDUJND-MRXNPFEDSA-N 1 1 297.358 3.030 20 30 CGEDMO COCc1ccc([C@H]2CCC[N@H+]2Cc2cccc(C#N)n2)o1 ZINC000602612431 347993980 /nfs/dbraw/zinc/99/39/80/347993980.db2.gz RJBZHIUZVDUJND-MRXNPFEDSA-N 1 1 297.358 3.030 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000602647536 348000667 /nfs/dbraw/zinc/00/06/67/348000667.db2.gz TYBAHHVSOOZGBA-CABCVRRESA-N 1 1 289.398 3.276 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000602663289 348003478 /nfs/dbraw/zinc/00/34/78/348003478.db2.gz SEKJYXYIQCCBAS-OWYHZJEWSA-N 1 1 298.430 3.431 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000602665327 348004250 /nfs/dbraw/zinc/00/42/50/348004250.db2.gz HESDGQFYZVHLQI-OAGGEKHMSA-N 1 1 264.413 3.065 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000602679604 348007541 /nfs/dbraw/zinc/00/75/41/348007541.db2.gz MEXBESMRRUPREX-WFASDCNBSA-N 1 1 280.799 3.245 20 30 CGEDMO CC(C)[C@H]1[N@@H+](C[C@H](C)CCC#N)CC12CCOCC2 ZINC000602691873 348009621 /nfs/dbraw/zinc/00/96/21/348009621.db2.gz UYAYGGKPLZKWJV-HUUCEWRRSA-N 1 1 264.413 3.063 20 30 CGEDMO CCOC(=O)[C@H]([NH2+]C[C@H](C)CCC#N)C1CCCCCC1 ZINC000602706112 348013714 /nfs/dbraw/zinc/01/37/14/348013714.db2.gz ATDYJNCCHWOVQL-GDBMZVCRSA-N 1 1 294.439 3.418 20 30 CGEDMO N#CCC1(C[N@H+]2CCC[C@H]2Cc2ccccc2)CC1 ZINC000602758674 348024794 /nfs/dbraw/zinc/02/47/94/348024794.db2.gz GZQHDFMSBNOVPF-INIZCTEOSA-N 1 1 254.377 3.387 20 30 CGEDMO N#CCC1(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)CC1 ZINC000602772820 348026522 /nfs/dbraw/zinc/02/65/22/348026522.db2.gz KUQDBFMJWOSAIS-CQSZACIVSA-N 1 1 284.359 3.246 20 30 CGEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCO[C@H]1C ZINC000602769091 348026612 /nfs/dbraw/zinc/02/66/12/348026612.db2.gz MRSXVFOUCZJTFG-DZGCQCFKSA-N 1 1 290.363 3.008 20 30 CGEDMO CN(C)Cc1cc(C[NH2+]C2CCC(C#N)CC2)ccc1F ZINC000602548899 347979918 /nfs/dbraw/zinc/97/99/18/347979918.db2.gz WOHZRVABRAXFCK-UHFFFAOYSA-N 1 1 289.398 3.059 20 30 CGEDMO COCc1cc(C#N)ccc1NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000603361856 348073880 /nfs/dbraw/zinc/07/38/80/348073880.db2.gz LNZJETZFZBKHFJ-QGZVFWFLSA-N 1 1 299.418 3.133 20 30 CGEDMO C[C@@H](C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)C1CCCCC1 ZINC000602850616 348036397 /nfs/dbraw/zinc/03/63/97/348036397.db2.gz RFSIIKVJILCSMN-HRCADAONSA-N 1 1 277.456 3.121 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1CC(C)(C)CO1 ZINC000602844670 348036638 /nfs/dbraw/zinc/03/66/38/348036638.db2.gz FUBKMIJYKZYYBH-XJKSGUPXSA-N 1 1 272.392 3.366 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H](c2cccnc2)C1 ZINC000602854057 348037203 /nfs/dbraw/zinc/03/72/03/348037203.db2.gz MEGDPIDQDZFRLV-HNNXBMFYSA-N 1 1 257.381 3.201 20 30 CGEDMO C[N@@H+](CCCOCCc1ccccc1)[C@H]1CCC[C@@H]1C#N ZINC000602977168 348049079 /nfs/dbraw/zinc/04/90/79/348049079.db2.gz YUEPNUARKWOJAT-MSOLQXFVSA-N 1 1 286.419 3.260 20 30 CGEDMO COc1cc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)ccc1C ZINC000602981788 348050943 /nfs/dbraw/zinc/05/09/43/348050943.db2.gz JRYFAFLZEAIVJL-CABCVRRESA-N 1 1 258.365 3.128 20 30 CGEDMO COc1cc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)ccc1C ZINC000602981788 348050945 /nfs/dbraw/zinc/05/09/45/348050945.db2.gz JRYFAFLZEAIVJL-CABCVRRESA-N 1 1 258.365 3.128 20 30 CGEDMO C[N@@H+](C[C@@H]1CCCCC1(F)F)[C@@H]1CCC[C@H]1C#N ZINC000602981935 348051604 /nfs/dbraw/zinc/05/16/04/348051604.db2.gz LOQUWTHSLCXAEV-RWMBFGLXSA-N 1 1 256.340 3.436 20 30 CGEDMO C=CCNC(=O)C[N@@H+]1CCCCC[C@@H]1c1cccc(C)c1 ZINC000605156972 348149465 /nfs/dbraw/zinc/14/94/65/348149465.db2.gz AXTUHIMHHQADFA-QGZVFWFLSA-N 1 1 286.419 3.214 20 30 CGEDMO CC#CC[N@H+](Cc1ccc(OC)cc1)[C@H](C)C1CC1 ZINC000607727513 348258375 /nfs/dbraw/zinc/25/83/75/348258375.db2.gz NSNOTUPZMJQGCD-CQSZACIVSA-N 1 1 257.377 3.319 20 30 CGEDMO C[C@H](CNc1ncc(C#N)cc1Cl)[N@H+]1CCC[C@@H](C)C1 ZINC000608885919 348333875 /nfs/dbraw/zinc/33/38/75/348333875.db2.gz GUEWHRMLKQCWLF-VXGBXAGGSA-N 1 1 292.814 3.139 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCS[C@@H](c3ccccc3)C2)ccn1 ZINC000610993217 348414931 /nfs/dbraw/zinc/41/49/31/348414931.db2.gz HXZHJUYHHQHVCQ-QGZVFWFLSA-N 1 1 295.411 3.243 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCS[C@@H](c3ccccc3)C2)ccn1 ZINC000610993217 348414934 /nfs/dbraw/zinc/41/49/34/348414934.db2.gz HXZHJUYHHQHVCQ-QGZVFWFLSA-N 1 1 295.411 3.243 20 30 CGEDMO CC1CCC([N@@H+](Cc2ccnc(C#N)c2)C2CC2)CC1 ZINC000610992040 348415153 /nfs/dbraw/zinc/41/51/53/348415153.db2.gz QZJYETVNOHFMGR-UHFFFAOYSA-N 1 1 269.392 3.496 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccnc(C#N)c1 ZINC000610992034 348415246 /nfs/dbraw/zinc/41/52/46/348415246.db2.gz ZYKKFQKKIPCJME-UHFFFAOYSA-N 1 1 293.370 3.150 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccnc(C#N)c1 ZINC000610992034 348415249 /nfs/dbraw/zinc/41/52/49/348415249.db2.gz ZYKKFQKKIPCJME-UHFFFAOYSA-N 1 1 293.370 3.150 20 30 CGEDMO C[C@@H]1c2ccccc2CC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610992765 348415508 /nfs/dbraw/zinc/41/55/08/348415508.db2.gz IMTWRLQVPIRQBF-CYBMUJFWSA-N 1 1 263.344 3.073 20 30 CGEDMO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000610992765 348415510 /nfs/dbraw/zinc/41/55/10/348415510.db2.gz IMTWRLQVPIRQBF-CYBMUJFWSA-N 1 1 263.344 3.073 20 30 CGEDMO CCC[C@H](C)[C@H]1CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610994542 348416052 /nfs/dbraw/zinc/41/60/52/348416052.db2.gz SYIPQSCAQHXVDC-XJKSGUPXSA-N 1 1 257.381 3.354 20 30 CGEDMO CO[C@@H](C[NH2+]C[C@@H](C#N)CCC#N)c1ccccc1Cl ZINC000610783479 348403298 /nfs/dbraw/zinc/40/32/98/348403298.db2.gz YSGOFPHVAXBGRZ-DOMZBBRYSA-N 1 1 291.782 3.061 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCOc2ccccc2C1 ZINC000611262811 348433576 /nfs/dbraw/zinc/43/35/76/348433576.db2.gz FKBPHKBYUXCPQY-UHFFFAOYSA-N 1 1 258.365 3.211 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCCC2(C)C)c1C#N ZINC000611346916 348440171 /nfs/dbraw/zinc/44/01/71/348440171.db2.gz QUIIEIYIDCRHNN-UHFFFAOYSA-N 1 1 294.402 3.427 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CCCC2(C)C)c1C#N ZINC000611346916 348440174 /nfs/dbraw/zinc/44/01/74/348440174.db2.gz QUIIEIYIDCRHNN-UHFFFAOYSA-N 1 1 294.402 3.427 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[N@@H+](C)C2CCCC2)c1C#N ZINC000611345972 348440319 /nfs/dbraw/zinc/44/03/19/348440319.db2.gz AATCXDDBAOIBNY-UHFFFAOYSA-N 1 1 294.402 3.427 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[N@H+](C)C2CCCC2)c1C#N ZINC000611345972 348440322 /nfs/dbraw/zinc/44/03/22/348440322.db2.gz AATCXDDBAOIBNY-UHFFFAOYSA-N 1 1 294.402 3.427 20 30 CGEDMO CCOC(=O)c1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2)o1 ZINC000611386731 348443562 /nfs/dbraw/zinc/44/35/62/348443562.db2.gz SOCCUBXYXKTBMK-GFCCVEGCSA-N 1 1 298.342 3.179 20 30 CGEDMO CC(C)n1ccnc1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000611386905 348443764 /nfs/dbraw/zinc/44/37/64/348443764.db2.gz BOLAXRXDILSCSC-CYBMUJFWSA-N 1 1 268.364 3.186 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000611390992 348444253 /nfs/dbraw/zinc/44/42/53/348444253.db2.gz YZVQOPIMAKNVBF-DNVCBOLYSA-N 1 1 295.430 3.010 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1nccs1 ZINC000611391052 348444661 /nfs/dbraw/zinc/44/46/61/348444661.db2.gz NYMVHSCQLDLWIM-CQSZACIVSA-N 1 1 269.373 3.182 20 30 CGEDMO C[N@H+](Cc1ccc(C(F)(F)F)cc1)CC1(C#N)CC1 ZINC000611428961 348450737 /nfs/dbraw/zinc/45/07/37/348450737.db2.gz NBCUBJCPVZBBLH-UHFFFAOYSA-N 1 1 268.282 3.441 20 30 CGEDMO C[N@@H+](Cc1ccc(C(F)(F)F)cc1)CC1(C#N)CC1 ZINC000611428961 348450739 /nfs/dbraw/zinc/45/07/39/348450739.db2.gz NBCUBJCPVZBBLH-UHFFFAOYSA-N 1 1 268.282 3.441 20 30 CGEDMO C[C@H](NCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000611438121 348452511 /nfs/dbraw/zinc/45/25/11/348452511.db2.gz LVNSUXCEFOMMBK-OAGGEKHMSA-N 1 1 285.435 3.187 20 30 CGEDMO C[C@@]1(C#N)CCC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000612161833 348497712 /nfs/dbraw/zinc/49/77/12/348497712.db2.gz FWRHYHMGPVRYRM-KRWDZBQOSA-N 1 1 254.377 3.301 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000612161833 348497715 /nfs/dbraw/zinc/49/77/15/348497715.db2.gz FWRHYHMGPVRYRM-KRWDZBQOSA-N 1 1 254.377 3.301 20 30 CGEDMO COCC[C@@H](c1ccccc1)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612157895 348497884 /nfs/dbraw/zinc/49/78/84/348497884.db2.gz FTULSUUZIMACTO-IRXDYDNUSA-N 1 1 272.392 3.390 20 30 CGEDMO CC(C)(C)OC(=O)CCCC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612166872 348498948 /nfs/dbraw/zinc/49/89/48/348498948.db2.gz XSBTWVJAYLCEEV-INIZCTEOSA-N 1 1 280.412 3.124 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000612585784 348530563 /nfs/dbraw/zinc/53/05/63/348530563.db2.gz PWDGQYWHCSJMRA-UHFFFAOYSA-N 1 1 295.386 3.300 20 30 CGEDMO CC[C@@H](C)Oc1cc(C[NH2+]C[C@@H](C)C#N)ccc1OC ZINC000612586544 348531189 /nfs/dbraw/zinc/53/11/89/348531189.db2.gz BVBBRGJFUCMIIX-QWHCGFSZSA-N 1 1 276.380 3.122 20 30 CGEDMO C[C@H]1C[C@@H]([NH+](C)Cc2ccc(C(C)(C)C#N)cc2)CC[N@@H+]1C ZINC000614169797 348654417 /nfs/dbraw/zinc/65/44/17/348654417.db2.gz VLVGHKVWSJOHPK-YJBOKZPZSA-N 1 1 299.462 3.402 20 30 CGEDMO C[C@H]1C[C@@H]([NH+](C)Cc2ccc(C(C)(C)C#N)cc2)CC[N@H+]1C ZINC000614169797 348654420 /nfs/dbraw/zinc/65/44/20/348654420.db2.gz VLVGHKVWSJOHPK-YJBOKZPZSA-N 1 1 299.462 3.402 20 30 CGEDMO C[C@H]1C[C@@H](N(C)Cc2ccc(C(C)(C)C#N)cc2)CC[N@@H+]1C ZINC000614169797 348654426 /nfs/dbraw/zinc/65/44/26/348654426.db2.gz VLVGHKVWSJOHPK-YJBOKZPZSA-N 1 1 299.462 3.402 20 30 CGEDMO C[C@H]1C[C@@H](N(C)Cc2ccc(C(C)(C)C#N)cc2)CC[N@H+]1C ZINC000614169797 348654428 /nfs/dbraw/zinc/65/44/28/348654428.db2.gz VLVGHKVWSJOHPK-YJBOKZPZSA-N 1 1 299.462 3.402 20 30 CGEDMO CC[N@H+]1C[C@H](C)N(Cc2ccc(C(C)(C)C#N)cc2)C[C@@H]1C ZINC000614178484 348655075 /nfs/dbraw/zinc/65/50/75/348655075.db2.gz FQICNVNCRUTTJE-HOTGVXAUSA-N 1 1 299.462 3.402 20 30 CGEDMO CCN1C[C@H](C)[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@@H]1C ZINC000614178484 348655080 /nfs/dbraw/zinc/65/50/80/348655080.db2.gz FQICNVNCRUTTJE-HOTGVXAUSA-N 1 1 299.462 3.402 20 30 CGEDMO CCN1C[C@H](C)[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@@H]1C ZINC000614178484 348655084 /nfs/dbraw/zinc/65/50/84/348655084.db2.gz FQICNVNCRUTTJE-HOTGVXAUSA-N 1 1 299.462 3.402 20 30 CGEDMO C[C@@H]1[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CCOC1(C)C ZINC000614174236 348655470 /nfs/dbraw/zinc/65/54/70/348655470.db2.gz HYYMXLWQIKPMNI-AWEZNQCLSA-N 1 1 286.419 3.487 20 30 CGEDMO CC[N@H+]1CCN(c2cc(C#N)ccc2C(F)(F)F)C[C@@H]1C ZINC000613886244 348638319 /nfs/dbraw/zinc/63/83/19/348638319.db2.gz UUBYZZGEYSFXSE-NSHDSACASA-N 1 1 297.324 3.107 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)o1 ZINC000339524607 215228546 /nfs/dbraw/zinc/22/85/46/215228546.db2.gz KCXNDLPPOJOYHP-UHFFFAOYSA-N 1 1 296.248 3.182 20 30 CGEDMO Cc1nc(C[NH2+][C@H]2CCC[C@H](C#N)C2)nc2ccccc12 ZINC000618568522 349107330 /nfs/dbraw/zinc/10/73/30/349107330.db2.gz DDZVRSCDECPVSP-KBPBESRZSA-N 1 1 280.375 3.110 20 30 CGEDMO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@H]2CCC[C@@H](C#N)C2)[nH]1 ZINC000618578062 349110270 /nfs/dbraw/zinc/11/02/70/349110270.db2.gz YATMURZJVFYIPF-RVMXOQNASA-N 1 1 275.400 3.051 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CCC1 ZINC000618669141 349138123 /nfs/dbraw/zinc/13/81/23/349138123.db2.gz GBOFEPQKSPPZRS-HNNXBMFYSA-N 1 1 290.451 3.256 20 30 CGEDMO Cc1cc(NC(=O)C[C@H](CC#N)c2ccccc2)c(C)c[nH+]1 ZINC000619440631 349251497 /nfs/dbraw/zinc/25/14/97/349251497.db2.gz CXPLVCNJUAGTPU-INIZCTEOSA-N 1 1 293.370 3.146 20 30 CGEDMO N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000619672607 349268913 /nfs/dbraw/zinc/26/89/13/349268913.db2.gz KRJQPYXKJBPURQ-QRVBRYPASA-N 1 1 297.446 3.180 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2ccc3nc[nH]c3c2)cc1Cl ZINC000619748965 349281842 /nfs/dbraw/zinc/28/18/42/349281842.db2.gz ULNVYSGAGTUUGU-UHFFFAOYSA-N 1 1 296.761 3.378 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000625657540 350193445 /nfs/dbraw/zinc/19/34/45/350193445.db2.gz VSSCGCWZROJHRT-CZUORRHYSA-N 1 1 281.346 3.081 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2nc(-c3ccc(F)cc3)no2)C1 ZINC000625699764 350198845 /nfs/dbraw/zinc/19/88/45/350198845.db2.gz GWEJQTCOBXIDNP-LBPRGKRZSA-N 1 1 287.338 3.274 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000625705205 350201120 /nfs/dbraw/zinc/20/11/20/350201120.db2.gz YOPFKKPKMDMMFZ-YJBOKZPZSA-N 1 1 298.430 3.078 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000625705656 350201177 /nfs/dbraw/zinc/20/11/77/350201177.db2.gz WYXILKQIJFRGRB-OAHLLOKOSA-N 1 1 267.376 3.270 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000626007739 350246004 /nfs/dbraw/zinc/24/60/04/350246004.db2.gz SCOPQZOXKSYXLR-HNNXBMFYSA-N 1 1 299.336 3.391 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2nc3ccccc3n2CC)C1 ZINC000628405656 350529351 /nfs/dbraw/zinc/52/93/51/350529351.db2.gz QQGSRBMABQNLQB-CQSZACIVSA-N 1 1 269.392 3.454 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(O)c(OCC)c2)C1 ZINC000628407034 350530651 /nfs/dbraw/zinc/53/06/51/350530651.db2.gz XRGDUAKOCCCBNA-CYBMUJFWSA-N 1 1 261.365 3.189 20 30 CGEDMO C=C(C)C[NH+]1CCC(NCc2csc(C)c2C)CC1 ZINC000631065981 350941914 /nfs/dbraw/zinc/94/19/14/350941914.db2.gz YTPSVURTALZSRR-UHFFFAOYSA-N 1 1 278.465 3.495 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000632368403 351195455 /nfs/dbraw/zinc/19/54/55/351195455.db2.gz HCECRTHWUNPSQL-LSDHHAIUSA-N 1 1 290.451 3.112 20 30 CGEDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1cccc(C#N)c1 ZINC000124193797 187125997 /nfs/dbraw/zinc/12/59/97/187125997.db2.gz CWUZRTKWIBWXCM-RHSMWYFYSA-N 1 1 272.392 3.074 20 30 CGEDMO C=C(Cl)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000271462061 191152320 /nfs/dbraw/zinc/15/23/20/191152320.db2.gz HQVIOYAXVRNXMR-SNVBAGLBSA-N 1 1 254.717 3.306 20 30 CGEDMO Cc1nc(N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccc1C#N ZINC000292089014 198159054 /nfs/dbraw/zinc/15/90/54/198159054.db2.gz YNEUTGASFGFVBV-GDBMZVCRSA-N 1 1 298.434 3.327 20 30 CGEDMO CCOC[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000154851480 188165722 /nfs/dbraw/zinc/16/57/22/188165722.db2.gz KFUFIIXSKNAKRC-MRXNPFEDSA-N 1 1 291.822 3.440 20 30 CGEDMO CCC[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000156701623 188277536 /nfs/dbraw/zinc/27/75/36/188277536.db2.gz BEQBYHXUMGNALM-WBVHZDCISA-N 1 1 272.392 3.104 20 30 CGEDMO CSC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000292543387 198327027 /nfs/dbraw/zinc/32/70/27/198327027.db2.gz XYDOWDZYQQNBSB-GFCCVEGCSA-N 1 1 278.396 3.272 20 30 CGEDMO CSC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000292543387 198327028 /nfs/dbraw/zinc/32/70/28/198327028.db2.gz XYDOWDZYQQNBSB-GFCCVEGCSA-N 1 1 278.396 3.272 20 30 CGEDMO Fc1ccc(C#CC[N@@H+]2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000157673064 188331896 /nfs/dbraw/zinc/33/18/96/188331896.db2.gz WRMPSYCHISBVPV-KRWDZBQOSA-N 1 1 268.335 3.342 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000157673064 188331898 /nfs/dbraw/zinc/33/18/98/188331898.db2.gz WRMPSYCHISBVPV-KRWDZBQOSA-N 1 1 268.335 3.342 20 30 CGEDMO N#Cc1ccc(C[N@@H+](CCc2cncs2)C2CC2)cc1 ZINC000411188674 235035937 /nfs/dbraw/zinc/03/59/37/235035937.db2.gz DPBHSOYNQKFLCM-UHFFFAOYSA-N 1 1 283.400 3.222 20 30 CGEDMO C[C@H]1CCC[N@H+](C(C)(C)CNc2ncc(C#N)cc2F)C1 ZINC000413114987 235251448 /nfs/dbraw/zinc/25/14/48/235251448.db2.gz MYSKFNRGPBGYTC-LBPRGKRZSA-N 1 1 290.386 3.015 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC=C(C(F)(F)F)CC2)cc1 ZINC000270146577 283138752 /nfs/dbraw/zinc/13/87/52/283138752.db2.gz FJAKLNVWKFUKSH-UHFFFAOYSA-N 1 1 266.266 3.253 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC=C(C(F)(F)F)CC2)cc1 ZINC000270146577 283138759 /nfs/dbraw/zinc/13/87/59/283138759.db2.gz FJAKLNVWKFUKSH-UHFFFAOYSA-N 1 1 266.266 3.253 20 30 CGEDMO N#Cc1ccc(N2CC[C@@H](n3c[nH+]c4c3CCCC4)C2)cc1 ZINC000299751122 283165480 /nfs/dbraw/zinc/16/54/80/283165480.db2.gz PPJPHNPVOOXTQR-MRXNPFEDSA-N 1 1 292.386 3.085 20 30 CGEDMO C[C@H]1C[C@@H](C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)CCO1 ZINC000352700593 219573134 /nfs/dbraw/zinc/57/31/34/219573134.db2.gz SNMRXZAHFWDXCU-YOEHRIQHSA-N 1 1 284.403 3.338 20 30 CGEDMO N#Cc1ccccc1C[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000289433532 283214210 /nfs/dbraw/zinc/21/42/10/283214210.db2.gz VWATVSHQQWGXHY-UHFFFAOYSA-N 1 1 295.361 3.414 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)o1 ZINC000093704325 138348604 /nfs/dbraw/zinc/34/86/04/138348604.db2.gz PSDBXHUQTWMVMV-OAHLLOKOSA-N 1 1 281.359 3.228 20 30 CGEDMO CC[C@@H]1CC[C@H](C)[N@H+]1CCOc1ccccc1C#N ZINC000124572157 138376084 /nfs/dbraw/zinc/37/60/84/138376084.db2.gz ANDLBCDQCZTUAP-DZGCQCFKSA-N 1 1 258.365 3.200 20 30 CGEDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000126135490 138385151 /nfs/dbraw/zinc/38/51/51/138385151.db2.gz HPRHEKDAVWHQMC-ZDUSSCGKSA-N 1 1 298.361 3.466 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)CC1(C)C ZINC000336295607 213137564 /nfs/dbraw/zinc/13/75/64/213137564.db2.gz XOAZGHSOBBUSBC-HNNXBMFYSA-N 1 1 292.810 3.459 20 30 CGEDMO C[C@H](NC[C@H]1[NH2+]CCc2ccccc21)c1cccc(C#N)c1 ZINC000423415059 236067441 /nfs/dbraw/zinc/06/74/41/236067441.db2.gz DHAVVTHNKJUHPR-IFXJQAMLSA-N 1 1 291.398 3.096 20 30 CGEDMO C[C@H](CNc1c(C#N)cccc1C#N)[N@H+]1CCCC[C@H]1C ZINC000436309477 237079240 /nfs/dbraw/zinc/07/92/40/237079240.db2.gz SGDWULPPPFSTAA-ZIAGYGMSSA-N 1 1 282.391 3.105 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNCc2ccc(C#N)s2)C1 ZINC000176948591 189016204 /nfs/dbraw/zinc/01/62/04/189016204.db2.gz HLSCGEYHPPMNDU-OKILXGFUSA-N 1 1 291.464 3.077 20 30 CGEDMO CO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(C#N)ccc2F)C12CCC2 ZINC000451835466 240368474 /nfs/dbraw/zinc/36/84/74/240368474.db2.gz OMAQOKWZWXYLTC-HZPDHXFCSA-N 1 1 288.366 3.087 20 30 CGEDMO CO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)c(F)c2)C12CCC2 ZINC000451829903 240367902 /nfs/dbraw/zinc/36/79/02/240367902.db2.gz BSLLUGJEIPTUIL-JKSUJKDBSA-N 1 1 288.366 3.087 20 30 CGEDMO C[N@@H+](CCCc1ccccc1)Cc1ccc(C#N)o1 ZINC000179317085 189185699 /nfs/dbraw/zinc/18/56/99/189185699.db2.gz MWYQNPPWIBGRBX-UHFFFAOYSA-N 1 1 254.333 3.216 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)o1)[C@H]1CCc2ccccc21 ZINC000179906870 189227274 /nfs/dbraw/zinc/22/72/74/189227274.db2.gz LXXOCMKFWKPVQF-INIZCTEOSA-N 1 1 252.317 3.271 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccccc1[N+](=O)[O-] ZINC000342285268 216290980 /nfs/dbraw/zinc/29/09/80/216290980.db2.gz UBJKTKOKVNSRRG-LLVKDONJSA-N 1 1 299.305 3.456 20 30 CGEDMO C[C@H]1CCC[N@@H+](CCNc2cc(Cl)ccc2C#N)C1 ZINC000301528527 201049724 /nfs/dbraw/zinc/04/97/24/201049724.db2.gz OGZQVEUSGOOKPZ-LBPRGKRZSA-N 1 1 277.799 3.355 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCNc2c(C#N)cnc3ccccc32)C1 ZINC000301508957 201036864 /nfs/dbraw/zinc/03/68/64/201036864.db2.gz HWQVRPOXAXYEOS-CQSZACIVSA-N 1 1 294.402 3.250 20 30 CGEDMO C[C@H](NCc1ccc(C#N)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183100466 189346633 /nfs/dbraw/zinc/34/66/33/189346633.db2.gz SDNDBMDEEYEZDF-YJBOKZPZSA-N 1 1 297.446 3.301 20 30 CGEDMO C[C@H](NCc1ccc(C#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183100466 189346634 /nfs/dbraw/zinc/34/66/34/189346634.db2.gz SDNDBMDEEYEZDF-YJBOKZPZSA-N 1 1 297.446 3.301 20 30 CGEDMO COC1(C[N@@H+](CCC#N)CC(C)C)CCCCC1 ZINC000692806605 799800699 /nfs/dbraw/zinc/80/06/99/799800699.db2.gz HFWJFHDYAIGSJH-UHFFFAOYSA-N 1 1 252.402 3.207 20 30 CGEDMO CC1=CC[N@@H+](CCNc2cc(Cl)ccc2C#N)CC1 ZINC000302130481 201355452 /nfs/dbraw/zinc/35/54/52/201355452.db2.gz BBJFUKFNBPCIEX-UHFFFAOYSA-N 1 1 275.783 3.276 20 30 CGEDMO C[C@@]12C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000449450405 239437344 /nfs/dbraw/zinc/43/73/44/239437344.db2.gz OMVFDHALGJYHKN-OWSLCNJRSA-N 1 1 264.372 3.202 20 30 CGEDMO C=CC[N@@H+](Cc1cnn(CC)c1)Cc1cccs1 ZINC000119930443 370723726 /nfs/dbraw/zinc/72/37/26/370723726.db2.gz LGHTYDRBOHOULJ-UHFFFAOYSA-N 1 1 261.394 3.153 20 30 CGEDMO C=CC[N@H+](Cc1cnn(CC)c1)Cc1cccs1 ZINC000119930443 370723731 /nfs/dbraw/zinc/72/37/31/370723731.db2.gz LGHTYDRBOHOULJ-UHFFFAOYSA-N 1 1 261.394 3.153 20 30 CGEDMO C[C@H]1C[C@H](Nc2cccc(Cl)c2C#N)C[N@H+]1C1CC1 ZINC000450380215 239879116 /nfs/dbraw/zinc/87/91/16/239879116.db2.gz RBOLORNIPXUDFW-QWRGUYRKSA-N 1 1 275.783 3.249 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@]3(CCSC3)C2)cc1F ZINC000451963692 240387706 /nfs/dbraw/zinc/38/77/06/240387706.db2.gz HYGZDJAXDFWWGJ-MRXNPFEDSA-N 1 1 290.407 3.416 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)Cc1cccc(OC(C)C)c1 ZINC000120662436 370788595 /nfs/dbraw/zinc/78/85/95/370788595.db2.gz QOVWYFRHHFGYSZ-MRXNPFEDSA-N 1 1 277.408 3.233 20 30 CGEDMO C=CCCC[N@@H+](C)[C@H](C)c1nc(CCCC)no1 ZINC000121101898 370829257 /nfs/dbraw/zinc/82/92/57/370829257.db2.gz WYLDILYHEKVGPK-GFCCVEGCSA-N 1 1 251.374 3.371 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)c1nc(CCCC)no1 ZINC000121101898 370829261 /nfs/dbraw/zinc/82/92/61/370829261.db2.gz WYLDILYHEKVGPK-GFCCVEGCSA-N 1 1 251.374 3.371 20 30 CGEDMO COc1ccc(CNc2ccc3c(c2)C[N@H+](C)C3)cc1C#N ZINC000121291974 370849482 /nfs/dbraw/zinc/84/94/82/370849482.db2.gz PYJXYEWIMXUPLF-UHFFFAOYSA-N 1 1 293.370 3.124 20 30 CGEDMO N#Cc1csc(C[NH+]2CC(COc3ccccc3)C2)c1 ZINC000459634252 242154908 /nfs/dbraw/zinc/15/49/08/242154908.db2.gz RNDZNRMNTMONEB-UHFFFAOYSA-N 1 1 284.384 3.131 20 30 CGEDMO C[C@H](Cc1cccc(F)c1)[N@H+](C)Cc1nc(C#N)cs1 ZINC000459782372 242229797 /nfs/dbraw/zinc/22/97/97/242229797.db2.gz ZPKPUNNLHHSUMN-LLVKDONJSA-N 1 1 289.379 3.217 20 30 CGEDMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000459782372 242229802 /nfs/dbraw/zinc/22/98/02/242229802.db2.gz ZPKPUNNLHHSUMN-LLVKDONJSA-N 1 1 289.379 3.217 20 30 CGEDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1CC#Cc1ccccc1 ZINC000124302634 370923616 /nfs/dbraw/zinc/92/36/16/370923616.db2.gz YJBPCLOUDRIIGR-FUHWJXTLSA-N 1 1 271.404 3.054 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000123590740 370913393 /nfs/dbraw/zinc/91/33/93/370913393.db2.gz MZHVDFHSIPCPAT-SJORKVTESA-N 1 1 259.393 3.459 20 30 CGEDMO C=C[C@H](CC(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccccc1 ZINC000124206229 370921760 /nfs/dbraw/zinc/92/17/60/370921760.db2.gz GWUADPXWYUGVJE-BFYDXBDKSA-N 1 1 298.430 3.088 20 30 CGEDMO C[C@@H]1[C@H](C)SCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000125241423 370934175 /nfs/dbraw/zinc/93/41/75/370934175.db2.gz DSHBABUPGBDZBT-OLZOCXBDSA-N 1 1 263.381 3.003 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C)cc1 ZINC000126091255 370942829 /nfs/dbraw/zinc/94/28/29/370942829.db2.gz NLDRQEYSEUUOBM-MRXNPFEDSA-N 1 1 286.419 3.016 20 30 CGEDMO Cc1ccccc1[C@@H]1C[N@@H+](CCCCC#N)CCO1 ZINC000126214090 370944219 /nfs/dbraw/zinc/94/42/19/370944219.db2.gz CXNKDXFRVIVPQG-INIZCTEOSA-N 1 1 258.365 3.062 20 30 CGEDMO C=CCC(CC=C)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000126119978 370944333 /nfs/dbraw/zinc/94/43/33/370944333.db2.gz XYKAUFRFYXRZHA-OAHLLOKOSA-N 1 1 292.467 3.382 20 30 CGEDMO C[C@@H]1CCC[C@H]([N@@H+](C)CC(=O)Nc2cccc(C#N)c2)C1 ZINC000026466435 368859324 /nfs/dbraw/zinc/85/93/24/368859324.db2.gz ABGYQYIXZZINBK-CJNGLKHVSA-N 1 1 285.391 3.007 20 30 CGEDMO C[N@H+](Cc1cccs1)Cc1ccc(C#N)cc1F ZINC000035126420 368999066 /nfs/dbraw/zinc/99/90/66/368999066.db2.gz DAXGDGWCAMKNNH-UHFFFAOYSA-N 1 1 260.337 3.391 20 30 CGEDMO C[N@@H+](Cc1cccs1)Cc1ccc(C#N)cc1F ZINC000035126420 368999073 /nfs/dbraw/zinc/99/90/73/368999073.db2.gz DAXGDGWCAMKNNH-UHFFFAOYSA-N 1 1 260.337 3.391 20 30 CGEDMO C[C@@H]([NH2+]Cc1nccn1C(F)F)c1ccc(C#N)cc1 ZINC000037749558 369104452 /nfs/dbraw/zinc/10/44/52/369104452.db2.gz TWIIUVVLKOGEOY-SNVBAGLBSA-N 1 1 276.290 3.001 20 30 CGEDMO CC[N@H+]1CCC[C@H]1CNc1ccc(Cl)cc1C#N ZINC000052856888 369474032 /nfs/dbraw/zinc/47/40/32/369474032.db2.gz LULAEAFUTTYPNE-ZDUSSCGKSA-N 1 1 263.772 3.108 20 30 CGEDMO C#CC[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000052917322 369474908 /nfs/dbraw/zinc/47/49/08/369474908.db2.gz QAIKQBCTTPQMNQ-CQSZACIVSA-N 1 1 259.399 3.390 20 30 CGEDMO C#CC[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000052917322 369474913 /nfs/dbraw/zinc/47/49/13/369474913.db2.gz QAIKQBCTTPQMNQ-CQSZACIVSA-N 1 1 259.399 3.390 20 30 CGEDMO C#CC[N@@H+](Cc1ccncc1)[C@H]1CCc2ccccc21 ZINC000128466669 370963216 /nfs/dbraw/zinc/96/32/16/370963216.db2.gz YHBTUVXVWSBWFY-SFHVURJKSA-N 1 1 262.356 3.204 20 30 CGEDMO C[C@@H](N[C@@H](C)C[NH+]1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000271967876 296146580 /nfs/dbraw/zinc/14/65/80/296146580.db2.gz VZJFGPQZAMJJAV-UONOGXRCSA-N 1 1 289.398 3.222 20 30 CGEDMO C=CCC[N@@H+](C)Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000276366550 193302330 /nfs/dbraw/zinc/30/23/30/193302330.db2.gz GHUPFCSZTXYSLR-UHFFFAOYSA-N 1 1 275.327 3.192 20 30 CGEDMO C=CCC[N@H+](C)Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000276366550 193302331 /nfs/dbraw/zinc/30/23/31/193302331.db2.gz GHUPFCSZTXYSLR-UHFFFAOYSA-N 1 1 275.327 3.192 20 30 CGEDMO C=CCC[N@@H+](C)CC(=O)c1cc(C)n(C2CC2)c1C ZINC000276450060 193335885 /nfs/dbraw/zinc/33/58/85/193335885.db2.gz PMNGTHKURNGJCF-UHFFFAOYSA-N 1 1 260.381 3.130 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)c1cc(C)n(C2CC2)c1C ZINC000276450060 193335886 /nfs/dbraw/zinc/33/58/86/193335886.db2.gz PMNGTHKURNGJCF-UHFFFAOYSA-N 1 1 260.381 3.130 20 30 CGEDMO CC(C)[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000063618790 369647868 /nfs/dbraw/zinc/64/78/68/369647868.db2.gz BOBYHBLKWGNFNP-MRXNPFEDSA-N 1 1 285.391 3.007 20 30 CGEDMO CC[N@@H+](Cc1cccc(OC(C)C)c1)C[C@@H](C)C#N ZINC000064249247 369651613 /nfs/dbraw/zinc/65/16/13/369651613.db2.gz PWYRKMKSKGJKHA-AWEZNQCLSA-N 1 1 260.381 3.455 20 30 CGEDMO CC[N@H+](Cc1cccc(OC(C)C)c1)C[C@@H](C)C#N ZINC000064249247 369651617 /nfs/dbraw/zinc/65/16/17/369651617.db2.gz PWYRKMKSKGJKHA-AWEZNQCLSA-N 1 1 260.381 3.455 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)CC(C)(C)OC)cc1OC ZINC000537725781 376198000 /nfs/dbraw/zinc/19/80/00/376198000.db2.gz XJEGSKATBCQVOG-UHFFFAOYSA-N 1 1 293.407 3.117 20 30 CGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@H]1C ZINC000072874655 369843785 /nfs/dbraw/zinc/84/37/85/369843785.db2.gz BYMRBWLFKGTSMG-MNOVXSKESA-N 1 1 291.782 3.023 20 30 CGEDMO CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000079054386 369960018 /nfs/dbraw/zinc/96/00/18/369960018.db2.gz FTBCMJKTSKISCS-CQSZACIVSA-N 1 1 285.391 3.009 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000075674325 369915188 /nfs/dbraw/zinc/91/51/88/369915188.db2.gz FEMCXTOFBBJULP-CYBMUJFWSA-N 1 1 296.374 3.230 20 30 CGEDMO C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C1CCCCC1 ZINC000075616293 369915550 /nfs/dbraw/zinc/91/55/50/369915550.db2.gz ZAHZDZKORYTGJJ-UHFFFAOYSA-N 1 1 296.374 3.373 20 30 CGEDMO C[C@@H]1C[C@H](N[C@@H](CCC#N)c2ccccc2)C[N@@H+]1C1CC1 ZINC000090665831 370063552 /nfs/dbraw/zinc/06/35/52/370063552.db2.gz HKYXBIGXNVAWJD-HFTRVMKXSA-N 1 1 283.419 3.246 20 30 CGEDMO C[C@@H]1C[C@H](N[C@@H](CCC#N)c2ccccc2)C[N@H+]1C1CC1 ZINC000090665831 370063557 /nfs/dbraw/zinc/06/35/57/370063557.db2.gz HKYXBIGXNVAWJD-HFTRVMKXSA-N 1 1 283.419 3.246 20 30 CGEDMO CC[C@H](C)C[N@@H+](CC)CCC(=O)Nc1ccccc1C#N ZINC000093250977 370113998 /nfs/dbraw/zinc/11/39/98/370113998.db2.gz ZXWWYZIVCRCZMS-AWEZNQCLSA-N 1 1 287.407 3.255 20 30 CGEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000091081654 370071628 /nfs/dbraw/zinc/07/16/28/370071628.db2.gz UEDNETZOOIYDEW-QGZVFWFLSA-N 1 1 297.377 3.354 20 30 CGEDMO CCOc1cc(C[N@H+](CC)C[C@@H](C)C#N)ccc1OC ZINC000091983082 370085212 /nfs/dbraw/zinc/08/52/12/370085212.db2.gz QFBHBUZZIPHXLJ-ZDUSSCGKSA-N 1 1 276.380 3.075 20 30 CGEDMO CCOc1cc(C[N@@H+](CC)C[C@@H](C)C#N)ccc1OC ZINC000091983082 370085217 /nfs/dbraw/zinc/08/52/17/370085217.db2.gz QFBHBUZZIPHXLJ-ZDUSSCGKSA-N 1 1 276.380 3.075 20 30 CGEDMO C=CCOc1ccccc1CN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253617 370094740 /nfs/dbraw/zinc/09/47/40/370094740.db2.gz PLTMROIMXLAEFC-MRXNPFEDSA-N 1 1 288.435 3.025 20 30 CGEDMO C=CCCC[N@H+](C)Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000093533687 370139379 /nfs/dbraw/zinc/13/93/79/370139379.db2.gz IJIXDAGJMDLKCD-UHFFFAOYSA-N 1 1 285.391 3.483 20 30 CGEDMO C=CC[N@@H+](CCc1ccncc1)Cc1ccccc1 ZINC000097205827 370234082 /nfs/dbraw/zinc/23/40/82/370234082.db2.gz FZCDAPKQBCSYHR-UHFFFAOYSA-N 1 1 252.361 3.312 20 30 CGEDMO C=CCNC(=O)C[N@@H+]1CCCCC[C@@H]1c1ccc(CC)o1 ZINC000097593579 370246648 /nfs/dbraw/zinc/24/66/48/370246648.db2.gz FSJCVAUEEBAMPU-OAHLLOKOSA-N 1 1 290.407 3.061 20 30 CGEDMO C=CC[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000101558858 370290121 /nfs/dbraw/zinc/29/01/21/370290121.db2.gz IAPZJUNWUOLAKX-UHFFFAOYSA-N 1 1 256.349 3.392 20 30 CGEDMO COc1c(C)cc(C[N@H+](C)C[C@@H](C#N)CCC#N)cc1C ZINC000112560207 370434890 /nfs/dbraw/zinc/43/48/90/370434890.db2.gz GHLHHAOSUUQRSO-OAHLLOKOSA-N 1 1 285.391 3.187 20 30 CGEDMO COc1c(C)cc(C[N@@H+](C)C[C@@H](C#N)CCC#N)cc1C ZINC000112560207 370434893 /nfs/dbraw/zinc/43/48/93/370434893.db2.gz GHLHHAOSUUQRSO-OAHLLOKOSA-N 1 1 285.391 3.187 20 30 CGEDMO CCC(C)(C)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000512256349 245031024 /nfs/dbraw/zinc/03/10/24/245031024.db2.gz AVNQXYZZLQNQBM-UHFFFAOYSA-N 1 1 293.798 3.271 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCCNc1ccc(F)cc1C#N ZINC000113316854 370471503 /nfs/dbraw/zinc/47/15/03/370471503.db2.gz KXTALGGTPVRAQQ-ZDUSSCGKSA-N 1 1 275.371 3.374 20 30 CGEDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000118850113 370629223 /nfs/dbraw/zinc/62/92/23/370629223.db2.gz WKCBDCMBNGMBTE-UNEWFSDZSA-N 1 1 297.402 3.150 20 30 CGEDMO C[N@@H+](Cc1cccc(OCCCC#N)c1)[C@@H]1CCSC1 ZINC000130533599 371041363 /nfs/dbraw/zinc/04/13/63/371041363.db2.gz YWZKMMDEQLQVAH-OAHLLOKOSA-N 1 1 290.432 3.306 20 30 CGEDMO CCC[C@@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000131224341 371090394 /nfs/dbraw/zinc/09/03/94/371090394.db2.gz LIGKENHIUFTKQQ-MRXNPFEDSA-N 1 1 286.419 3.489 20 30 CGEDMO CCC[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000131224341 371090399 /nfs/dbraw/zinc/09/03/99/371090399.db2.gz LIGKENHIUFTKQQ-MRXNPFEDSA-N 1 1 286.419 3.489 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)[C@@H](CC)Cc1ccccc1 ZINC000131445151 371107381 /nfs/dbraw/zinc/10/73/81/371107381.db2.gz DTWQPKBTZXSHEU-DLBZAZTESA-N 1 1 261.409 3.267 20 30 CGEDMO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1C[C@H](C#N)CCC#N ZINC000132568163 371184414 /nfs/dbraw/zinc/18/44/14/371184414.db2.gz ZDSWKEWXIUUBMP-DZKIICNBSA-N 1 1 285.366 3.447 20 30 CGEDMO C=CCC[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000132660386 371192507 /nfs/dbraw/zinc/19/25/07/371192507.db2.gz ZGCINBXXKCYIQB-MRXNPFEDSA-N 1 1 263.356 3.383 20 30 CGEDMO CS[C@H]1CCCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000134574066 371352172 /nfs/dbraw/zinc/35/21/72/371352172.db2.gz YQKGMBDMNLHCGI-HNNXBMFYSA-N 1 1 260.406 3.276 20 30 CGEDMO CSCC[C@H](C)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000134851166 371368720 /nfs/dbraw/zinc/36/87/20/371368720.db2.gz QEDOTOVDYOGAST-NSHDSACASA-N 1 1 266.385 3.271 20 30 CGEDMO C[N@H+](Cc1ccccc1C(C)(C)C#N)C[C@H]1CCCCO1 ZINC000135139237 371394301 /nfs/dbraw/zinc/39/43/01/371394301.db2.gz DYYZYVUQBPCKRU-MRXNPFEDSA-N 1 1 286.419 3.489 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CCS1 ZINC000135188512 371399635 /nfs/dbraw/zinc/39/96/35/371399635.db2.gz ANIZPIZXFVGNLN-CYBMUJFWSA-N 1 1 274.433 3.425 20 30 CGEDMO COc1ccc(C[N@@H+]([C@H](C)C2CC2)C2CC2)cc1C#N ZINC000134989285 371382744 /nfs/dbraw/zinc/38/27/44/371382744.db2.gz FUEPDPBOYDDVHO-GFCCVEGCSA-N 1 1 270.376 3.330 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@@H](C(C)C)C2)cc1C#N ZINC000135410622 371423685 /nfs/dbraw/zinc/42/36/85/371423685.db2.gz MFUAMKZSPZSDGB-CQSZACIVSA-N 1 1 258.365 3.045 20 30 CGEDMO CC[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)CCS1 ZINC000135428561 371426015 /nfs/dbraw/zinc/42/60/15/371426015.db2.gz ULXMXVDQZSGPIJ-CYBMUJFWSA-N 1 1 264.369 3.025 20 30 CGEDMO CC[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CCS1 ZINC000135428561 371426020 /nfs/dbraw/zinc/42/60/20/371426020.db2.gz ULXMXVDQZSGPIJ-CYBMUJFWSA-N 1 1 264.369 3.025 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1ccc(C(=O)NC)cc1 ZINC000150896407 371545783 /nfs/dbraw/zinc/54/57/83/371545783.db2.gz JPTGYEVSHIJFRD-UHFFFAOYSA-N 1 1 274.408 3.224 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cnc2c(c1)c(C)nn2C ZINC000150896571 371546516 /nfs/dbraw/zinc/54/65/16/371546516.db2.gz CZQGMYURXNBNJD-UHFFFAOYSA-N 1 1 286.423 3.455 20 30 CGEDMO N#Cc1ccnc(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000287489183 371664819 /nfs/dbraw/zinc/66/48/19/371664819.db2.gz YBLZSSLUIZMZGX-KRWDZBQOSA-N 1 1 292.386 3.030 20 30 CGEDMO C[N@H+](CC#Cc1ccccc1Cl)CCc1ccccn1 ZINC000152919124 371734414 /nfs/dbraw/zinc/73/44/14/371734414.db2.gz JAGVKUIERJJILP-UHFFFAOYSA-N 1 1 284.790 3.261 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000153056406 371745457 /nfs/dbraw/zinc/74/54/57/371745457.db2.gz PNAVAZZYYKEMFV-AEFFLSMTSA-N 1 1 298.430 3.489 20 30 CGEDMO CC[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)CCS1 ZINC000154154303 371823156 /nfs/dbraw/zinc/82/31/56/371823156.db2.gz SLJAHHUJTSUXOE-OAHLLOKOSA-N 1 1 263.381 3.005 20 30 CGEDMO CC[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)CCS1 ZINC000154154303 371823162 /nfs/dbraw/zinc/82/31/62/371823162.db2.gz SLJAHHUJTSUXOE-OAHLLOKOSA-N 1 1 263.381 3.005 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2cn3ccccc3c2C#N)CCC1(F)F ZINC000289976671 371868499 /nfs/dbraw/zinc/86/84/99/371868499.db2.gz XLFGCNHQDGUEAE-GFCCVEGCSA-N 1 1 289.329 3.288 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cn3ccccc3c2C#N)CCC1(F)F ZINC000289976671 371868505 /nfs/dbraw/zinc/86/85/05/371868505.db2.gz XLFGCNHQDGUEAE-GFCCVEGCSA-N 1 1 289.329 3.288 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](C)C[C@H]1CC=CCC1 ZINC000344075469 217039383 /nfs/dbraw/zinc/03/93/83/217039383.db2.gz USPNGEOKIKUMMW-AWEZNQCLSA-N 1 1 270.376 3.355 20 30 CGEDMO N#Cc1ccc2c(c1)[C@H](N[C@H](C[NH3+])C1CCCCC1)CC2 ZINC000423265727 372043493 /nfs/dbraw/zinc/04/34/93/372043493.db2.gz RGJIRTHPURBNII-QZTJIDSGSA-N 1 1 283.419 3.043 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(OC)c(OCC)c1 ZINC000158998574 372097203 /nfs/dbraw/zinc/09/72/03/372097203.db2.gz QAZLFXPFVMGUMH-UHFFFAOYSA-N 1 1 263.381 3.492 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccc2nc(C)sc2c1 ZINC000426369266 372154279 /nfs/dbraw/zinc/15/42/79/372154279.db2.gz GTUUUYRGEIIMIZ-UHFFFAOYSA-N 1 1 276.405 3.239 20 30 CGEDMO C=CCCC(=O)Nc1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC000291308155 372159166 /nfs/dbraw/zinc/15/91/66/372159166.db2.gz XKBYXHJVGMAYIF-UHFFFAOYSA-N 1 1 269.348 3.394 20 30 CGEDMO CC[C@@]1(C)CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000344224034 217107438 /nfs/dbraw/zinc/10/74/38/217107438.db2.gz UVLFIGWPBOEKGW-KRWDZBQOSA-N 1 1 285.391 3.009 20 30 CGEDMO C=CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159272873 372125714 /nfs/dbraw/zinc/12/57/14/372125714.db2.gz VJOGCYMZOWDWCQ-QZTJIDSGSA-N 1 1 270.420 3.159 20 30 CGEDMO C=CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159272873 372125720 /nfs/dbraw/zinc/12/57/20/372125720.db2.gz VJOGCYMZOWDWCQ-QZTJIDSGSA-N 1 1 270.420 3.159 20 30 CGEDMO C=CCN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159272873 372125725 /nfs/dbraw/zinc/12/57/25/372125725.db2.gz VJOGCYMZOWDWCQ-QZTJIDSGSA-N 1 1 270.420 3.159 20 30 CGEDMO C=CCN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159272873 372125731 /nfs/dbraw/zinc/12/57/31/372125731.db2.gz VJOGCYMZOWDWCQ-QZTJIDSGSA-N 1 1 270.420 3.159 20 30 CGEDMO N#Cc1c(F)cccc1C[N@@H+]1CCCC2(CCC2)C1 ZINC000428993788 372298116 /nfs/dbraw/zinc/29/81/16/372298116.db2.gz NVRGNOJBJSHPTO-UHFFFAOYSA-N 1 1 258.340 3.463 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CCCC2(CCC2)C1 ZINC000428993788 372298121 /nfs/dbraw/zinc/29/81/21/372298121.db2.gz NVRGNOJBJSHPTO-UHFFFAOYSA-N 1 1 258.340 3.463 20 30 CGEDMO Cc1ccc(OCCC[N@@H+](C)[C@@H](C)CC#N)cc1C ZINC000161923534 372360394 /nfs/dbraw/zinc/36/03/94/372360394.db2.gz KUPMFKBFEONPBG-HNNXBMFYSA-N 1 1 260.381 3.306 20 30 CGEDMO Cc1ccc(OCCC[N@H+](C)[C@@H](C)CC#N)cc1C ZINC000161923534 372360400 /nfs/dbraw/zinc/36/04/00/372360400.db2.gz KUPMFKBFEONPBG-HNNXBMFYSA-N 1 1 260.381 3.306 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1nc2cc(Br)ccc2[nH]1 ZINC000161690547 372347310 /nfs/dbraw/zinc/34/73/10/372347310.db2.gz VOFBZBHIXMIDQW-UHFFFAOYSA-N 1 1 294.196 3.333 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1nc2cc(Br)ccc2[nH]1 ZINC000161690547 372347314 /nfs/dbraw/zinc/34/73/14/372347314.db2.gz VOFBZBHIXMIDQW-UHFFFAOYSA-N 1 1 294.196 3.333 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)cc1 ZINC000293534068 372404827 /nfs/dbraw/zinc/40/48/27/372404827.db2.gz CEDASXWHWAPHFZ-SFHVURJKSA-N 1 1 281.399 3.059 20 30 CGEDMO C=CCC(CC=C)C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000163557470 372478985 /nfs/dbraw/zinc/47/89/85/372478985.db2.gz LRJQABPAEUUUHW-MRXNPFEDSA-N 1 1 292.467 3.239 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1Cl)C[C@H]1CCCOC1 ZINC000162909159 372433624 /nfs/dbraw/zinc/43/36/24/372433624.db2.gz FQJSPQURRCSTSF-CYBMUJFWSA-N 1 1 278.783 3.070 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)CCS1 ZINC000162935102 372435335 /nfs/dbraw/zinc/43/53/35/372435335.db2.gz BOWZZRHRBZJRBC-SNVBAGLBSA-N 1 1 266.797 3.149 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CCS1 ZINC000162935102 372435343 /nfs/dbraw/zinc/43/53/43/372435343.db2.gz BOWZZRHRBZJRBC-SNVBAGLBSA-N 1 1 266.797 3.149 20 30 CGEDMO C=C(C)C[NH+]1CCC(NCc2ccsc2C)CC1 ZINC000293674247 372446339 /nfs/dbraw/zinc/44/63/39/372446339.db2.gz VCBSLHNDIGMHLY-UHFFFAOYSA-N 1 1 264.438 3.187 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433307511 372588682 /nfs/dbraw/zinc/58/86/82/372588682.db2.gz VPSSLFGXABPSTN-ZBFHGGJFSA-N 1 1 279.811 3.456 20 30 CGEDMO C[C@H](C1CC1)[N@@H+](Cc1ccc(F)cc1C#N)C1CC1 ZINC000171376938 372747584 /nfs/dbraw/zinc/74/75/84/372747584.db2.gz WOPBPIHVDMUESL-LLVKDONJSA-N 1 1 258.340 3.460 20 30 CGEDMO CCC[N@@H+](CC)C[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000353482664 220108254 /nfs/dbraw/zinc/10/82/54/220108254.db2.gz GAVHBCCICZRECT-GJZGRUSLSA-N 1 1 273.424 3.329 20 30 CGEDMO CCCN(CC)C[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000353482664 220108255 /nfs/dbraw/zinc/10/82/55/220108255.db2.gz GAVHBCCICZRECT-GJZGRUSLSA-N 1 1 273.424 3.329 20 30 CGEDMO C=CCCC[N@H+](CC)CC(=O)Nc1c(F)cccc1F ZINC000172173390 372918459 /nfs/dbraw/zinc/91/84/59/372918459.db2.gz KYEZFTGAPTTXHC-UHFFFAOYSA-N 1 1 282.334 3.191 20 30 CGEDMO C=CCOc1ccc(C[N@H+](CCO)C2CCC2)cc1Cl ZINC000439794541 372981042 /nfs/dbraw/zinc/98/10/42/372981042.db2.gz SIGXXYBEYXVORG-UHFFFAOYSA-N 1 1 295.810 3.252 20 30 CGEDMO C=CC[N@H+](CCC(=O)N1CCC[C@H]1C)Cc1cccs1 ZINC000438797306 372970480 /nfs/dbraw/zinc/97/04/80/372970480.db2.gz YNNGBBBLODKDQB-CQSZACIVSA-N 1 1 292.448 3.137 20 30 CGEDMO CC[C@@](C)([NH2+]Cc1ccc(C#N)cc1)c1nccs1 ZINC000172673338 373010524 /nfs/dbraw/zinc/01/05/24/373010524.db2.gz QBENBZQARBYPBE-OAHLLOKOSA-N 1 1 271.389 3.430 20 30 CGEDMO N#C[C@@H]1CC[C@@H](NC[C@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC000442764295 373075178 /nfs/dbraw/zinc/07/51/78/373075178.db2.gz HTTBNLGAQQWHPC-KZNAEPCWSA-N 1 1 289.467 3.313 20 30 CGEDMO N#C[C@@H]1CC[C@@H](NC[C@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC000442764295 373075187 /nfs/dbraw/zinc/07/51/87/373075187.db2.gz HTTBNLGAQQWHPC-KZNAEPCWSA-N 1 1 289.467 3.313 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCN2CC2CCCCC2)C1 ZINC000442764295 373075195 /nfs/dbraw/zinc/07/51/95/373075195.db2.gz HTTBNLGAQQWHPC-KZNAEPCWSA-N 1 1 289.467 3.313 20 30 CGEDMO COc1cc(C[N@@H+]([C@H](C)C2CC2)C2CC2)ccc1C#N ZINC000442802444 373090518 /nfs/dbraw/zinc/09/05/18/373090518.db2.gz REQPSBLWDTWTGH-GFCCVEGCSA-N 1 1 270.376 3.330 20 30 CGEDMO C=CCCC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000173528099 373152739 /nfs/dbraw/zinc/15/27/39/373152739.db2.gz YRGHDAARQAQFDW-MRXNPFEDSA-N 1 1 286.419 3.076 20 30 CGEDMO Cc1cc(CNC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)ccc1C#N ZINC000443977397 373164202 /nfs/dbraw/zinc/16/42/02/373164202.db2.gz IEWYARIFHSCDDV-ZBFHGGJFSA-N 1 1 285.435 3.077 20 30 CGEDMO Cc1cc(CNC[C@H](C)[N@H+]2CCC[C@@H](C)C2)ccc1C#N ZINC000443977397 373164214 /nfs/dbraw/zinc/16/42/14/373164214.db2.gz IEWYARIFHSCDDV-ZBFHGGJFSA-N 1 1 285.435 3.077 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCOCC1CCC1 ZINC000442896752 373125208 /nfs/dbraw/zinc/12/52/08/373125208.db2.gz IEHBJPFOZJSREH-AWEZNQCLSA-N 1 1 272.392 3.368 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000444624444 373214372 /nfs/dbraw/zinc/21/43/72/373214372.db2.gz LYBVKMBMUNLUQZ-NWDGAFQWSA-N 1 1 292.345 3.094 20 30 CGEDMO CC(C)(C)C[N@@H+](CCCO)CCCCC(C)(C)C#N ZINC000444624584 373215105 /nfs/dbraw/zinc/21/51/05/373215105.db2.gz FHZFSKIRBQEUAX-UHFFFAOYSA-N 1 1 268.445 3.437 20 30 CGEDMO C=CC[C@@H]1[N@H+](Cc2ccc(C(N)=O)cc2)CCCC1(C)C ZINC000444781420 373274520 /nfs/dbraw/zinc/27/45/20/373274520.db2.gz OUYIRLPYCBHVQM-INIZCTEOSA-N 1 1 286.419 3.352 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CCCC23CCC3)c1C ZINC000444782840 373274544 /nfs/dbraw/zinc/27/45/44/373274544.db2.gz RKBFPPUDTKIMEO-UHFFFAOYSA-N 1 1 286.419 3.492 20 30 CGEDMO C=CC[C@@H]1[N@@H+](C[C@@H](O)COCC(C)C)CCCC1(C)C ZINC000444783735 373275415 /nfs/dbraw/zinc/27/54/15/373275415.db2.gz TXBLBZFLTAQZIG-CVEARBPZSA-N 1 1 283.456 3.087 20 30 CGEDMO CC[C@@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000444676932 373232665 /nfs/dbraw/zinc/23/26/65/373232665.db2.gz OTSJVLSYWZJDRH-WBVHZDCISA-N 1 1 299.418 3.397 20 30 CGEDMO CC(C)[N@@H+](CCOc1cccc(C#N)c1)CC1CCC1 ZINC000444771507 373267997 /nfs/dbraw/zinc/26/79/97/373267997.db2.gz PKGFZLIJVDFIRY-UHFFFAOYSA-N 1 1 272.392 3.448 20 30 CGEDMO N#Cc1ccccc1OCC[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000299061983 373452935 /nfs/dbraw/zinc/45/29/35/373452935.db2.gz NPMPYMWEAIQFKY-MRXNPFEDSA-N 1 1 281.359 3.102 20 30 CGEDMO C[N@H+]1CCCC(C)(C)[C@H]1CNc1ccc(F)cc1C#N ZINC000447803657 373493247 /nfs/dbraw/zinc/49/32/47/373493247.db2.gz BDHMHEXYIKBZCM-OAHLLOKOSA-N 1 1 275.371 3.230 20 30 CGEDMO COc1cccc2c(C[N@H+](C)C[C@@H](C)C#N)cccc12 ZINC000449020162 373656654 /nfs/dbraw/zinc/65/66/54/373656654.db2.gz YOFBPHUCHBCUQG-ZDUSSCGKSA-N 1 1 268.360 3.440 20 30 CGEDMO COc1cccc2c(C[N@@H+](C)C[C@@H](C)C#N)cccc12 ZINC000449020162 373656668 /nfs/dbraw/zinc/65/66/68/373656668.db2.gz YOFBPHUCHBCUQG-ZDUSSCGKSA-N 1 1 268.360 3.440 20 30 CGEDMO COc1cc(C[N@H+]2CC[C@@H](C)C[C@H]2C)ccc1C#N ZINC000300116011 373620514 /nfs/dbraw/zinc/62/05/14/373620514.db2.gz LIDCSDKMMZAIJW-CHWSQXEVSA-N 1 1 258.365 3.187 20 30 CGEDMO CC[C@@H]1CCCC[N@H+]1CCNc1cccc(F)c1C#N ZINC000301249284 373710653 /nfs/dbraw/zinc/71/06/53/373710653.db2.gz IOLCVVOLRMHODI-CYBMUJFWSA-N 1 1 275.371 3.374 20 30 CGEDMO N#Cc1cccnc1N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000301111497 373664727 /nfs/dbraw/zinc/66/47/27/373664727.db2.gz YWFRVPHUQTVUTH-QGZVFWFLSA-N 1 1 292.386 3.030 20 30 CGEDMO C[C@H](CNc1ccc(F)cc1C#N)[N@H+]1CCC[C@@H](C)C1 ZINC000301359584 373758423 /nfs/dbraw/zinc/75/84/23/373758423.db2.gz LPMIMXACZJSZHL-CHWSQXEVSA-N 1 1 275.371 3.230 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCOC3(C2)CCCCCC3)cc1 ZINC000178415906 373776128 /nfs/dbraw/zinc/77/61/28/373776128.db2.gz BHIHICUBTKBDLP-UHFFFAOYSA-N 1 1 284.403 3.483 20 30 CGEDMO C[C@H]1c2cccn2CC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000178294984 373763103 /nfs/dbraw/zinc/76/31/03/373763103.db2.gz ZMJLTMJSPIPKNR-HNNXBMFYSA-N 1 1 295.386 3.205 20 30 CGEDMO C[C@H]1c2cccn2CC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000178294984 373763110 /nfs/dbraw/zinc/76/31/10/373763110.db2.gz ZMJLTMJSPIPKNR-HNNXBMFYSA-N 1 1 295.386 3.205 20 30 CGEDMO CCC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000179511559 373883078 /nfs/dbraw/zinc/88/30/78/373883078.db2.gz PXRSHLSBTZKNHA-INIZCTEOSA-N 1 1 285.391 3.151 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1c1cccn1C ZINC000179663400 373900724 /nfs/dbraw/zinc/90/07/24/373900724.db2.gz GERFCAMMMHBWQY-QGZVFWFLSA-N 1 1 295.386 3.242 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC000179778524 373917159 /nfs/dbraw/zinc/91/71/59/373917159.db2.gz YFNWXAWZMCLVRK-GJZGRUSLSA-N 1 1 266.429 3.110 20 30 CGEDMO N#CC1(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)CCC1 ZINC000450248049 374021020 /nfs/dbraw/zinc/02/10/20/374021020.db2.gz VTYANKOHCOTFJY-OAHLLOKOSA-N 1 1 298.386 3.289 20 30 CGEDMO N#CC1(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)CCC1 ZINC000450248049 374021025 /nfs/dbraw/zinc/02/10/25/374021025.db2.gz VTYANKOHCOTFJY-OAHLLOKOSA-N 1 1 298.386 3.289 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC=C(c3ccco3)C2)o1 ZINC000289514211 197385287 /nfs/dbraw/zinc/38/52/87/197385287.db2.gz OYFQJPDCAKEMMI-UHFFFAOYSA-N 1 1 254.289 3.034 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC=C(c3ccco3)C2)o1 ZINC000289514211 197385289 /nfs/dbraw/zinc/38/52/89/197385289.db2.gz OYFQJPDCAKEMMI-UHFFFAOYSA-N 1 1 254.289 3.034 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000181414598 374120243 /nfs/dbraw/zinc/12/02/43/374120243.db2.gz DTHIKYKMRVEHCZ-JKSUJKDBSA-N 1 1 295.471 3.151 20 30 CGEDMO C[C@H](C#N)C[N@H+](CCCC(=O)c1ccc(F)cc1)C1CC1 ZINC000450612947 374165446 /nfs/dbraw/zinc/16/54/46/374165446.db2.gz LLKPIKBBIZAHLV-CYBMUJFWSA-N 1 1 288.366 3.413 20 30 CGEDMO C[C@H](C#N)C[N@@H+](CCCC(=O)c1ccc(F)cc1)C1CC1 ZINC000450612947 374165449 /nfs/dbraw/zinc/16/54/49/374165449.db2.gz LLKPIKBBIZAHLV-CYBMUJFWSA-N 1 1 288.366 3.413 20 30 CGEDMO Cc1cccc2nc(C[NH2+][C@H](C)c3cccc(C#N)c3)cn21 ZINC000181988299 374200673 /nfs/dbraw/zinc/20/06/73/374200673.db2.gz ZFCGUKLQLXFUFK-CQSZACIVSA-N 1 1 290.370 3.365 20 30 CGEDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000182031480 374207339 /nfs/dbraw/zinc/20/73/39/374207339.db2.gz QOTUXRCCHWFGBB-LJQANCHMSA-N 1 1 294.398 3.248 20 30 CGEDMO CC[N@@H+](CCCCC1CCOCC1)C[C@@H](C)C#N ZINC000310664483 374219727 /nfs/dbraw/zinc/21/97/27/374219727.db2.gz YOVSOWKHGDCUGQ-AWEZNQCLSA-N 1 1 252.402 3.065 20 30 CGEDMO CCCC[N@@H+](CCCO)Cc1ccccc1C(C)(C)C#N ZINC000182135148 374224823 /nfs/dbraw/zinc/22/48/23/374224823.db2.gz NXZPEPHHFGGNEX-UHFFFAOYSA-N 1 1 288.435 3.472 20 30 CGEDMO N#Cc1cc(F)ccc1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309595278 374189907 /nfs/dbraw/zinc/18/99/07/374189907.db2.gz WUPHWVCVNYYPBK-KRWDZBQOSA-N 1 1 295.361 3.384 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@H](O)CCc1ccccc1 ZINC000182405552 374269916 /nfs/dbraw/zinc/26/99/16/374269916.db2.gz NLXYDHGILJBJKO-QGZVFWFLSA-N 1 1 288.435 3.242 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](CNc2cc(C#N)c3ccccc3n2)C1 ZINC000316238317 374333043 /nfs/dbraw/zinc/33/30/43/374333043.db2.gz GIVHHWDPSIYKLK-AWEZNQCLSA-N 1 1 294.402 3.249 20 30 CGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000317696654 374339973 /nfs/dbraw/zinc/33/99/73/374339973.db2.gz CQRFFOSHUXSJAI-ZFWWWQNUSA-N 1 1 299.418 3.253 20 30 CGEDMO N#Cc1cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)nc2ccccc12 ZINC000317613742 374340307 /nfs/dbraw/zinc/34/03/07/374340307.db2.gz UAVPEUBXPVIBPV-LSDHHAIUSA-N 1 1 292.386 3.145 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCOCC2(CCC2)C1 ZINC000334140419 206049704 /nfs/dbraw/zinc/04/97/04/206049704.db2.gz GCQSJPJCTVEKMO-CQSZACIVSA-N 1 1 270.376 3.122 20 30 CGEDMO O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@H]1CCCC(F)(F)C1 ZINC000328649094 374373710 /nfs/dbraw/zinc/37/37/10/374373710.db2.gz IKZLHFKNHAWWBR-VHSXEESVSA-N 1 1 283.322 3.049 20 30 CGEDMO CC[C@H]1CCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000331136283 374508316 /nfs/dbraw/zinc/50/83/16/374508316.db2.gz VFOXKMDPARCTAN-ZDUSSCGKSA-N 1 1 296.374 3.230 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c1F ZINC000334521422 374817111 /nfs/dbraw/zinc/81/71/11/374817111.db2.gz QONNNKXSHDFHPP-OAHLLOKOSA-N 1 1 269.323 3.363 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)c1F ZINC000334521422 374817117 /nfs/dbraw/zinc/81/71/17/374817117.db2.gz QONNNKXSHDFHPP-OAHLLOKOSA-N 1 1 269.323 3.363 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CCCc3ccccc3CC2)n1 ZINC000334618678 374911239 /nfs/dbraw/zinc/91/12/39/374911239.db2.gz INHZBBWSNGYVGN-UHFFFAOYSA-N 1 1 283.400 3.006 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCCc3ccccc3CC2)n1 ZINC000334618678 374911245 /nfs/dbraw/zinc/91/12/45/374911245.db2.gz INHZBBWSNGYVGN-UHFFFAOYSA-N 1 1 283.400 3.006 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)Nc1ccccc1C(C)(C)C ZINC000467290927 374974553 /nfs/dbraw/zinc/97/45/53/374974553.db2.gz JWMTVVJADYDJJV-UHFFFAOYSA-N 1 1 274.408 3.431 20 30 CGEDMO CC[N@H+](C[C@@H](C)C#N)C[C@H](O)Cc1ccc2ccccc2c1 ZINC000470716932 374999360 /nfs/dbraw/zinc/99/93/60/374999360.db2.gz GOEGIDAOSZGDNZ-HNAYVOBHSA-N 1 1 296.414 3.225 20 30 CGEDMO CC[N@@H+](C[C@@H](C)C#N)C[C@H](O)Cc1ccc2ccccc2c1 ZINC000470716932 374999369 /nfs/dbraw/zinc/99/93/69/374999369.db2.gz GOEGIDAOSZGDNZ-HNAYVOBHSA-N 1 1 296.414 3.225 20 30 CGEDMO CO[C@@]1(C)CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000470913387 375000513 /nfs/dbraw/zinc/00/05/13/375000513.db2.gz OMHSCLAGXFEHOB-INIZCTEOSA-N 1 1 277.795 3.192 20 30 CGEDMO C=C(C)[C@H]([NH2+]CC(=O)NCCCC)c1ccc(F)c(F)c1 ZINC000187758161 375088859 /nfs/dbraw/zinc/08/88/59/375088859.db2.gz NWQMOSJRXJTPFJ-INIZCTEOSA-N 1 1 296.361 3.088 20 30 CGEDMO C=C(C)[C@H]([NH2+]CC(=O)NC(C)(C)C)c1ccc(F)c(F)c1 ZINC000187762900 375089171 /nfs/dbraw/zinc/08/91/71/375089171.db2.gz FNNLQJBNEBKNBF-HNNXBMFYSA-N 1 1 296.361 3.086 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000474234590 375089274 /nfs/dbraw/zinc/08/92/74/375089274.db2.gz TXXBOGNNDANULJ-WBVHZDCISA-N 1 1 280.456 3.215 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@H]1CCCC[N@@H+]1CCCC ZINC000473175770 375045037 /nfs/dbraw/zinc/04/50/37/375045037.db2.gz PKIAMBPUEUSXMZ-WBVHZDCISA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)[C@H](NC(=O)C[N@H+](C)CCC)c1ccc(F)c(F)c1 ZINC000478914867 375149589 /nfs/dbraw/zinc/14/95/89/375149589.db2.gz ZGDPBWLUQDMTAD-INIZCTEOSA-N 1 1 296.361 3.040 20 30 CGEDMO C[C@H](C#N)C[N@@H+](CCCc1ccc2c(c1)CCO2)C1CC1 ZINC000482166804 375167755 /nfs/dbraw/zinc/16/77/55/375167755.db2.gz DNYVOOJOFLTXCB-CQSZACIVSA-N 1 1 284.403 3.178 20 30 CGEDMO C[C@@H](CO)[N@@H+](CC#Cc1ccccc1Cl)CC1CCC1 ZINC000483144944 375175741 /nfs/dbraw/zinc/17/57/41/375175741.db2.gz SQJJYCHMZCEYJD-AWEZNQCLSA-N 1 1 291.822 3.174 20 30 CGEDMO C=CCCCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000474583959 375119564 /nfs/dbraw/zinc/11/95/64/375119564.db2.gz VVYGBHGZISGVFF-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO CCCCC[C@H]1CCC[N@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000486798482 375197705 /nfs/dbraw/zinc/19/77/05/375197705.db2.gz CPPFELQFEUHZQO-DOTOQJQBSA-N 1 1 293.455 3.086 20 30 CGEDMO CCCC[N@@H+](CCCO)[C@H](C)c1cccc(C#N)c1 ZINC000190003481 375468337 /nfs/dbraw/zinc/46/83/37/375468337.db2.gz DAEIACKUDVXIGH-CQSZACIVSA-N 1 1 260.381 3.104 20 30 CGEDMO Cc1cc([NH+]2CCCC2)ccc1NCc1cc(C#N)n(C)c1 ZINC000189582400 375416870 /nfs/dbraw/zinc/41/68/70/375416870.db2.gz KNNHLNBACJTZIM-UHFFFAOYSA-N 1 1 294.402 3.418 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)CCC1(F)F ZINC000335791656 375433349 /nfs/dbraw/zinc/43/33/49/375433349.db2.gz MSLXMIOFXUGXDO-SNVBAGLBSA-N 1 1 268.282 3.174 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CCC1(F)F ZINC000335791656 375433356 /nfs/dbraw/zinc/43/33/56/375433356.db2.gz MSLXMIOFXUGXDO-SNVBAGLBSA-N 1 1 268.282 3.174 20 30 CGEDMO C[C@@H]1[N@@H+](Cc2ccc(F)c(C#N)c2)CCC12CCOCC2 ZINC000335816542 375454248 /nfs/dbraw/zinc/45/42/48/375454248.db2.gz SQXAGDFDKSVUKS-ZDUSSCGKSA-N 1 1 288.366 3.088 20 30 CGEDMO N#CCc1ccc(C[N@@H+]2CCc3ccc(O)cc3C2)cc1 ZINC000335847927 375480512 /nfs/dbraw/zinc/48/05/12/375480512.db2.gz MXWAOASYLBTTKF-UHFFFAOYSA-N 1 1 278.355 3.017 20 30 CGEDMO C[C@@H]1CC[C@@](CO)([N@@H+](C)CC#Cc2ccc(Cl)cc2)C1 ZINC000495247362 375499989 /nfs/dbraw/zinc/49/99/89/375499989.db2.gz NDPZFKWGBOLRFJ-RHSMWYFYSA-N 1 1 291.822 3.174 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000495609982 375500491 /nfs/dbraw/zinc/50/04/91/375500491.db2.gz AUTWYSXBQJJETH-AWEZNQCLSA-N 1 1 282.428 3.141 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000495654584 375500545 /nfs/dbraw/zinc/50/05/45/375500545.db2.gz FJCQHNNVDGOIAY-ZDUSSCGKSA-N 1 1 274.364 3.212 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H]1CC[C@@H](C)O1 ZINC000190458333 375512222 /nfs/dbraw/zinc/51/22/22/375512222.db2.gz NJZPHZOKHQJASB-RHSMWYFYSA-N 1 1 270.376 3.114 20 30 CGEDMO N#Cc1ccc(C[N@H+](C[C@H](O)C2CCCCC2)C2CC2)cc1 ZINC000190460532 375512574 /nfs/dbraw/zinc/51/25/74/375512574.db2.gz OJAIKWKOEXXERJ-IBGZPJMESA-N 1 1 298.430 3.464 20 30 CGEDMO C[C@H](C#N)C[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000190522200 375518981 /nfs/dbraw/zinc/51/89/81/375518981.db2.gz AQCOKPAIIZMPMG-MRVPVSSYSA-N 1 1 287.588 3.352 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000496261715 375525686 /nfs/dbraw/zinc/52/56/86/375525686.db2.gz HECBMPGRMFUDGN-HNNXBMFYSA-N 1 1 294.439 3.027 20 30 CGEDMO C=CC[N@@H+](CCOC)[C@@H](C)c1nc2ccccc2o1 ZINC000191149870 375585941 /nfs/dbraw/zinc/58/59/41/375585941.db2.gz AUNQWHQNBMXXRO-LBPRGKRZSA-N 1 1 260.337 3.023 20 30 CGEDMO C=CC[N@H+](CCOC)[C@@H](C)c1nc2ccccc2o1 ZINC000191149870 375585943 /nfs/dbraw/zinc/58/59/43/375585943.db2.gz AUNQWHQNBMXXRO-LBPRGKRZSA-N 1 1 260.337 3.023 20 30 CGEDMO CCC[C@H](C)[C@H]1CCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191430924 375628320 /nfs/dbraw/zinc/62/83/20/375628320.db2.gz UVCRFHYQCWFNNR-XJKSGUPXSA-N 1 1 259.397 3.297 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC=C(c3cccnc3)C2)ccc1F ZINC000336000899 375608634 /nfs/dbraw/zinc/60/86/34/375608634.db2.gz LFNBUMPESNBRSG-UHFFFAOYSA-N 1 1 293.345 3.382 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC=C(c3cccnc3)C2)ccc1F ZINC000336000899 375608637 /nfs/dbraw/zinc/60/86/37/375608637.db2.gz LFNBUMPESNBRSG-UHFFFAOYSA-N 1 1 293.345 3.382 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cccc(C(F)(F)F)c1 ZINC000191756362 375660025 /nfs/dbraw/zinc/66/00/25/375660025.db2.gz SQNDVJKLBDCRLG-UHFFFAOYSA-N 1 1 273.298 3.340 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccc(Cl)c(F)c1 ZINC000191761500 375661067 /nfs/dbraw/zinc/66/10/67/375661067.db2.gz WDXSKWPZHOCHQV-UHFFFAOYSA-N 1 1 257.736 3.114 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cc(OC)cc2c1O[C@@H](C)C2 ZINC000505890617 375664163 /nfs/dbraw/zinc/66/41/63/375664163.db2.gz DIHCKLQYJHEEDA-ZDUSSCGKSA-N 1 1 273.376 3.193 20 30 CGEDMO CC[N@H+](CCC#N)C/C(C)=C/c1ccccc1COC ZINC000507118490 375675540 /nfs/dbraw/zinc/67/55/40/375675540.db2.gz CNIJNROYTSSJRU-NTCAYCPXSA-N 1 1 272.392 3.472 20 30 CGEDMO CC[N@@H+](CCC#N)C/C(C)=C/c1ccccc1COC ZINC000507118490 375675549 /nfs/dbraw/zinc/67/55/49/375675549.db2.gz CNIJNROYTSSJRU-NTCAYCPXSA-N 1 1 272.392 3.472 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000289478706 197367416 /nfs/dbraw/zinc/36/74/16/197367416.db2.gz ICAMXQONDGDTFT-IRXDYDNUSA-N 1 1 282.387 3.092 20 30 CGEDMO CCCO[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000192015719 375690068 /nfs/dbraw/zinc/69/00/68/375690068.db2.gz VMQIFSNLWIEIQD-INIZCTEOSA-N 1 1 290.382 3.478 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](Cc1c(F)cccc1F)C1CC1 ZINC000192300767 375727630 /nfs/dbraw/zinc/72/76/30/375727630.db2.gz KZLCFPLPUUZPPA-CYBMUJFWSA-N 1 1 281.346 3.256 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](Cc1c(F)cccc1F)C1CC1 ZINC000192300767 375727638 /nfs/dbraw/zinc/72/76/38/375727638.db2.gz KZLCFPLPUUZPPA-CYBMUJFWSA-N 1 1 281.346 3.256 20 30 CGEDMO C[C@@H](C#N)C[N@H+](C)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000509811857 375783599 /nfs/dbraw/zinc/78/35/99/375783599.db2.gz LDTDLHKACCXFFG-ZDUSSCGKSA-N 1 1 272.392 3.382 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000509811857 375783603 /nfs/dbraw/zinc/78/36/03/375783603.db2.gz LDTDLHKACCXFFG-ZDUSSCGKSA-N 1 1 272.392 3.382 20 30 CGEDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000512463188 375796736 /nfs/dbraw/zinc/79/67/36/375796736.db2.gz OZPNVIZYENDREM-YJBOKZPZSA-N 1 1 289.394 3.193 20 30 CGEDMO C[C@@H]([NH2+][C@@H](C)c1nnc2ccccn21)c1cccc(C#N)c1 ZINC000192982403 375811505 /nfs/dbraw/zinc/81/15/05/375811505.db2.gz ZXHHJRNLDNKZAA-OLZOCXBDSA-N 1 1 291.358 3.013 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cccnc1OC ZINC000193307513 375857192 /nfs/dbraw/zinc/85/71/92/375857192.db2.gz QARYBGBFOVOWPA-UHFFFAOYSA-N 1 1 295.386 3.374 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccnc1OC ZINC000193307513 375857195 /nfs/dbraw/zinc/85/71/95/375857195.db2.gz QARYBGBFOVOWPA-UHFFFAOYSA-N 1 1 295.386 3.374 20 30 CGEDMO CC1(C2CC2)CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000336633151 375892394 /nfs/dbraw/zinc/89/23/94/375892394.db2.gz QNGDALGMBDDCCW-UHFFFAOYSA-N 1 1 261.394 3.027 20 30 CGEDMO C[N@@H+]1Cc2ccc(NC(=O)Nc3ccc(C#N)cc3)cc2C1 ZINC000193596707 375896638 /nfs/dbraw/zinc/89/66/38/375896638.db2.gz DBAXLVRJUAGSSY-UHFFFAOYSA-N 1 1 292.342 3.148 20 30 CGEDMO C[N@H+]1Cc2ccc(NC(=O)Nc3ccc(C#N)cc3)cc2C1 ZINC000193596707 375896641 /nfs/dbraw/zinc/89/66/41/375896641.db2.gz DBAXLVRJUAGSSY-UHFFFAOYSA-N 1 1 292.342 3.148 20 30 CGEDMO C[C@@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CC2)CC[C@@H]1c1ccccc1 ZINC000528393299 375899582 /nfs/dbraw/zinc/89/95/82/375899582.db2.gz VVCDXOSQEIFOGV-NJAFHUGGSA-N 1 1 298.430 3.167 20 30 CGEDMO C=C(C)CC[N@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000528597312 375906344 /nfs/dbraw/zinc/90/63/44/375906344.db2.gz LMOHROCXYHGCBT-UHFFFAOYSA-N 1 1 259.397 3.098 20 30 CGEDMO CCc1cccc(OCC[N@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000533598108 375956797 /nfs/dbraw/zinc/95/67/97/375956797.db2.gz UBMMKNHUGULXAY-CQSZACIVSA-N 1 1 272.392 3.252 20 30 CGEDMO CCc1cccc(OCC[N@@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000533598108 375956803 /nfs/dbraw/zinc/95/68/03/375956803.db2.gz UBMMKNHUGULXAY-CQSZACIVSA-N 1 1 272.392 3.252 20 30 CGEDMO COc1cccc2c1CC[N@@H+](CCCC(C)(C)C#N)CC2 ZINC000193729516 375915311 /nfs/dbraw/zinc/91/53/11/375915311.db2.gz HIZNJISSXMBJMS-UHFFFAOYSA-N 1 1 286.419 3.426 20 30 CGEDMO C=Cn1cc(C[N@H+](CC)[C@H](C)c2ccc(C#N)cc2)cn1 ZINC000193717947 375915344 /nfs/dbraw/zinc/91/53/44/375915344.db2.gz DXXHAUGZQDUQRL-CQSZACIVSA-N 1 1 280.375 3.438 20 30 CGEDMO C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)O1 ZINC000336845043 376007282 /nfs/dbraw/zinc/00/72/82/376007282.db2.gz NMVVRLWWHPTEFL-BGTYHANMSA-N 1 1 284.403 3.326 20 30 CGEDMO C[C@@H]1CC[C@H](C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)O1 ZINC000336845043 376007288 /nfs/dbraw/zinc/00/72/88/376007288.db2.gz NMVVRLWWHPTEFL-BGTYHANMSA-N 1 1 284.403 3.326 20 30 CGEDMO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000336859264 376015075 /nfs/dbraw/zinc/01/50/75/376015075.db2.gz GFYXDDSZAXMPFF-QLFBSQMISA-N 1 1 299.418 3.253 20 30 CGEDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000194857349 376051024 /nfs/dbraw/zinc/05/10/24/376051024.db2.gz BRZAOFPIVKFCFU-QGZVFWFLSA-N 1 1 294.439 3.228 20 30 CGEDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000218177068 376185441 /nfs/dbraw/zinc/18/54/41/376185441.db2.gz PLUFCOJNHZSCSA-KBRIMQKVSA-N 1 1 272.392 3.102 20 30 CGEDMO C=C(CC)C[N@H+](C)CC(=O)Nc1ccccc1CC ZINC000538013002 376219312 /nfs/dbraw/zinc/21/93/12/376219312.db2.gz XRBLQXMSOBJQCC-UHFFFAOYSA-N 1 1 260.381 3.086 20 30 CGEDMO C=C(CC)C[N@@H+](C)CC(=O)Nc1ccccc1CC ZINC000538013002 376219317 /nfs/dbraw/zinc/21/93/17/376219317.db2.gz XRBLQXMSOBJQCC-UHFFFAOYSA-N 1 1 260.381 3.086 20 30 CGEDMO C=CC[N@H+](Cc1cc2c(c(Cl)c1)OCO2)C1CC1 ZINC000538957302 376281064 /nfs/dbraw/zinc/28/10/64/376281064.db2.gz VSSSFDSYGLJEOP-UHFFFAOYSA-N 1 1 265.740 3.219 20 30 CGEDMO CC1(C)CC[N@@H+](Cc2cc(C#N)ccc2F)CCS1 ZINC000228088882 376428056 /nfs/dbraw/zinc/42/80/56/376428056.db2.gz VLAJAXJSMIIAFF-UHFFFAOYSA-N 1 1 278.396 3.415 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H](C(=O)NCCCC)C1 ZINC000540341187 376370820 /nfs/dbraw/zinc/37/08/20/376370820.db2.gz XHWDDVUFYVQVLN-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO C[N@H+]1CCC[C@@H]2CN(c3ccc(Cl)cc3C#N)CC[C@H]21 ZINC000227335488 376390109 /nfs/dbraw/zinc/39/01/09/376390109.db2.gz QTESKGPHYDLION-IUODEOHRSA-N 1 1 289.810 3.132 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000541388257 376445305 /nfs/dbraw/zinc/44/53/05/376445305.db2.gz ZLAXKWYAEWGDBH-HUUCEWRRSA-N 1 1 280.456 3.168 20 30 CGEDMO C[C@@H](O)C[N@@H+](Cc1cccc(C#N)c1)C1CCCCC1 ZINC000263738128 190075737 /nfs/dbraw/zinc/07/57/37/190075737.db2.gz GHIZYDNSOUHFPA-CQSZACIVSA-N 1 1 272.392 3.074 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C[C@H]1CCc2ccccc2C1)C1CC1 ZINC000541985915 376499208 /nfs/dbraw/zinc/49/92/08/376499208.db2.gz VXPBLALGGPABNJ-GJZGRUSLSA-N 1 1 268.404 3.416 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C[C@@H]1CCc2ccccc2C1)C1CC1 ZINC000541985917 376499875 /nfs/dbraw/zinc/49/98/75/376499875.db2.gz VXPBLALGGPABNJ-LSDHHAIUSA-N 1 1 268.404 3.416 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccc(F)cc2)c1 ZINC000334286098 206310845 /nfs/dbraw/zinc/31/08/45/206310845.db2.gz BZRXDPSFMDAIMC-QZTJIDSGSA-N 1 1 296.345 3.005 20 30 CGEDMO N#Cc1cccc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccc(F)cc2)c1 ZINC000334286098 206310848 /nfs/dbraw/zinc/31/08/48/206310848.db2.gz BZRXDPSFMDAIMC-QZTJIDSGSA-N 1 1 296.345 3.005 20 30 CGEDMO Cc1cc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)on1 ZINC000334287701 206312368 /nfs/dbraw/zinc/31/23/68/206312368.db2.gz HXOIRMYXICQCOY-UHFFFAOYSA-N 1 1 279.343 3.144 20 30 CGEDMO Cc1cc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)on1 ZINC000334287701 206312371 /nfs/dbraw/zinc/31/23/71/206312371.db2.gz HXOIRMYXICQCOY-UHFFFAOYSA-N 1 1 279.343 3.144 20 30 CGEDMO Cc1noc(C)c1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000334306044 206342081 /nfs/dbraw/zinc/34/20/81/206342081.db2.gz GCZOHRPAIOVNGC-UHFFFAOYSA-N 1 1 293.370 3.452 20 30 CGEDMO CC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000233909717 376607719 /nfs/dbraw/zinc/60/77/19/376607719.db2.gz MOVPZOCISGXPRO-OAHLLOKOSA-N 1 1 258.365 3.331 20 30 CGEDMO CC[N@H+](Cc1ccc(C)cc1-c1ccnn1C)C[C@@H](C)C#N ZINC000338945197 376591112 /nfs/dbraw/zinc/59/11/12/376591112.db2.gz AUFAFJHPVQQNPZ-HNNXBMFYSA-N 1 1 296.418 3.377 20 30 CGEDMO CC[N@@H+](C[C@@H](C)C#N)C[C@@H]1CCc2ccccc2C1 ZINC000542917122 376592208 /nfs/dbraw/zinc/59/22/08/376592208.db2.gz UUUPFKQMLKASDW-LSDHHAIUSA-N 1 1 256.393 3.273 20 30 CGEDMO C[C@@H](CNc1cccc(F)c1C#N)[N@H+]1CCCC[C@@H]1C ZINC000339003902 376623778 /nfs/dbraw/zinc/62/37/78/376623778.db2.gz SKRLQUJCPKVFSW-STQMWFEESA-N 1 1 275.371 3.372 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H]1CCCO1 ZINC000339193757 376731220 /nfs/dbraw/zinc/73/12/20/376731220.db2.gz JNVTZWHFPDCGGN-MRXNPFEDSA-N 1 1 277.412 3.021 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@@H](OCc2ccccc2F)C1 ZINC000339139477 376705452 /nfs/dbraw/zinc/70/54/52/376705452.db2.gz GCEIIISYNHTRMT-MRXNPFEDSA-N 1 1 293.382 3.009 20 30 CGEDMO C[C@H]1C[C@H](C(C)(C)C)CC[N@H+]1CCOCCC#N ZINC000339206107 376734881 /nfs/dbraw/zinc/73/48/81/376734881.db2.gz OXZZAAONOXPYOA-UONOGXRCSA-N 1 1 252.402 3.063 20 30 CGEDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000245465407 376824931 /nfs/dbraw/zinc/82/49/31/376824931.db2.gz YLTXAGUZWTVASP-UKPHBRMFSA-N 1 1 297.402 3.150 20 30 CGEDMO CC#CCC[N@@H+]1CCc2cc(OC)c(Cl)cc2C1 ZINC000555740259 376859490 /nfs/dbraw/zinc/85/94/90/376859490.db2.gz UZLONRYOHZBLEJ-UHFFFAOYSA-N 1 1 263.768 3.120 20 30 CGEDMO CC#CCC[N@H+]1CCc2cc(OC)c(Cl)cc2C1 ZINC000555740259 376859496 /nfs/dbraw/zinc/85/94/96/376859496.db2.gz UZLONRYOHZBLEJ-UHFFFAOYSA-N 1 1 263.768 3.120 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@H]1CN(C)Cc1ccc(C#N)cc1 ZINC000340287656 376985882 /nfs/dbraw/zinc/98/58/82/376985882.db2.gz WYCFLCHEMXYXOY-SFHVURJKSA-N 1 1 285.435 3.253 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@@H]1CC[C@@H](SCC)C1 ZINC000247230162 377180416 /nfs/dbraw/zinc/18/04/16/377180416.db2.gz DCLVGXGKQNKJRM-HUUCEWRRSA-N 1 1 298.496 3.017 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000247658327 377230044 /nfs/dbraw/zinc/23/00/44/377230044.db2.gz XGRPEMUWUCMIMC-QRTARXTBSA-N 1 1 277.383 3.331 20 30 CGEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1ncc(C#N)cc1Cl ZINC000341103761 377399524 /nfs/dbraw/zinc/39/95/24/377399524.db2.gz OELWSAWHLRRMHB-TXEJJXNPSA-N 1 1 292.814 3.281 20 30 CGEDMO CC[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000563151495 377410786 /nfs/dbraw/zinc/41/07/86/377410786.db2.gz XCPXHVCCCWGABT-ZBFHGGJFSA-N 1 1 297.406 3.002 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1cnc2ccc(C)cc2c1 ZINC000566924474 377502266 /nfs/dbraw/zinc/50/22/66/377502266.db2.gz UUGHUCOBAHRZHT-OAHLLOKOSA-N 1 1 253.349 3.325 20 30 CGEDMO CC[C@@H](C)C[C@H]([NH2+]C1CCC(C)(C#N)CC1)C(=O)OC ZINC000568393265 377517538 /nfs/dbraw/zinc/51/75/38/377517538.db2.gz NIGLXLNGTCGWNM-RXFTYZNJSA-N 1 1 280.412 3.026 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)CCc1cccc(C)n1 ZINC000568388654 377518349 /nfs/dbraw/zinc/51/83/49/377518349.db2.gz MDMHEGCGUKWVJD-UHFFFAOYSA-N 1 1 270.376 3.256 20 30 CGEDMO CC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1C(C)(C)C#N ZINC000569788625 377529459 /nfs/dbraw/zinc/52/94/59/377529459.db2.gz MSRYGFHOXFWUKN-INIZCTEOSA-N 1 1 285.435 3.014 20 30 CGEDMO CC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000569788625 377529467 /nfs/dbraw/zinc/52/94/67/377529467.db2.gz MSRYGFHOXFWUKN-INIZCTEOSA-N 1 1 285.435 3.014 20 30 CGEDMO CC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000569788625 377529473 /nfs/dbraw/zinc/52/94/73/377529473.db2.gz MSRYGFHOXFWUKN-INIZCTEOSA-N 1 1 285.435 3.014 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc2nc[nH]c2c1)c1ccc(C#N)cc1 ZINC000518779216 249286866 /nfs/dbraw/zinc/28/68/66/249286866.db2.gz FYAOTQMEMIHOSK-GFCCVEGCSA-N 1 1 276.343 3.285 20 30 CGEDMO CCC[N@@H+](CC)C[C@H](C)Nc1c(F)cc(C#N)cc1F ZINC000564137409 322021215 /nfs/dbraw/zinc/02/12/15/322021215.db2.gz QRAFUYUKKCJUDZ-NSHDSACASA-N 1 1 281.350 3.369 20 30 CGEDMO C[N@@H+](CCNc1ccc(C#N)cc1)C1CCCCC1 ZINC000341524722 377606271 /nfs/dbraw/zinc/60/62/71/377606271.db2.gz BFHUQTCDCZPPQP-UHFFFAOYSA-N 1 1 257.381 3.235 20 30 CGEDMO N#Cc1c(Cl)cccc1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252673211 377650700 /nfs/dbraw/zinc/65/07/00/377650700.db2.gz HIWONBPOLOPFNK-RYUDHWBXSA-N 1 1 275.783 3.250 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC[C@@H]1CCCO1 ZINC000342598237 377682381 /nfs/dbraw/zinc/68/23/81/377682381.db2.gz SEKFMRQXYXZYQY-BBRMVZONSA-N 1 1 258.365 3.120 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C(=O)N(CC)CC)c1ccccc1 ZINC000342733021 377762344 /nfs/dbraw/zinc/76/23/44/377762344.db2.gz IFVSGWRUJATLPX-INIZCTEOSA-N 1 1 274.408 3.104 20 30 CGEDMO COc1ccc2cc(C[N@H+](C)C[C@@H](C)C#N)ccc2c1 ZINC000263842791 377952668 /nfs/dbraw/zinc/95/26/68/377952668.db2.gz LBZYKLLAXTZOGV-ZDUSSCGKSA-N 1 1 268.360 3.440 20 30 CGEDMO COc1ccc2cc(C[N@@H+](C)C[C@@H](C)C#N)ccc2c1 ZINC000263842791 377952675 /nfs/dbraw/zinc/95/26/75/377952675.db2.gz LBZYKLLAXTZOGV-ZDUSSCGKSA-N 1 1 268.360 3.440 20 30 CGEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)CC1(C#N)CC1 ZINC000343322682 377953738 /nfs/dbraw/zinc/95/37/38/377953738.db2.gz RWFZSAOWQBCACL-UHFFFAOYSA-N 1 1 267.376 3.320 20 30 CGEDMO CCCC[N@@H+](CCOC)Cc1ccc(CC#N)cc1 ZINC000343539554 378013403 /nfs/dbraw/zinc/01/34/03/378013403.db2.gz UVYJGMSLALROEF-UHFFFAOYSA-N 1 1 260.381 3.001 20 30 CGEDMO COc1cc(C[N@@H+](C)Cc2ccc(CC#N)cc2)ccc1O ZINC000343418387 377975698 /nfs/dbraw/zinc/97/56/98/377975698.db2.gz OFYIRACOQIIETR-UHFFFAOYSA-N 1 1 296.370 3.099 20 30 CGEDMO CN(CC[C@H]1CCCC[N@H+]1C)Cc1ccc(CC#N)cc1 ZINC000343552300 378017145 /nfs/dbraw/zinc/01/71/45/378017145.db2.gz NXLHTWFEWCJOFC-GOSISDBHSA-N 1 1 285.435 3.059 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(Br)cc1OC ZINC000343435456 377978608 /nfs/dbraw/zinc/97/86/08/377978608.db2.gz BPNTXAVJVUAIQU-UHFFFAOYSA-N 1 1 284.197 3.466 20 30 CGEDMO C=CCC[N@H+](C)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000343451400 377984020 /nfs/dbraw/zinc/98/40/20/377984020.db2.gz YLKYNCGDDLTVRY-UHFFFAOYSA-N 1 1 259.328 3.019 20 30 CGEDMO CC(C)[C@H]1CCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000264592037 377989931 /nfs/dbraw/zinc/98/99/31/377989931.db2.gz ZCKZJYBBIBMBPM-MRXNPFEDSA-N 1 1 258.365 3.209 20 30 CGEDMO C[C@@H](c1ccccc1F)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000268633044 378084059 /nfs/dbraw/zinc/08/40/59/378084059.db2.gz QJEVLLNNYSFERT-UGSOOPFHSA-N 1 1 298.361 3.424 20 30 CGEDMO CSCC[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000578327077 378057783 /nfs/dbraw/zinc/05/77/83/378057783.db2.gz PYHKXDUEAYOHMO-NSHDSACASA-N 1 1 293.392 3.040 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)[C@H]1CCCc2nc(C)sc21 ZINC000268564477 378074847 /nfs/dbraw/zinc/07/48/47/378074847.db2.gz PUUAXFFPHWKLPV-OCCSQVGLSA-N 1 1 280.437 3.088 20 30 CGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H]2c2ccccc2)cc1 ZINC000268569241 378075258 /nfs/dbraw/zinc/07/52/58/378075258.db2.gz AGHSTTAHGVOOOK-MOPGFXCFSA-N 1 1 292.382 3.429 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@H](C)c1sc(CC)nc1C ZINC000268577283 378076090 /nfs/dbraw/zinc/07/60/90/378076090.db2.gz SDVQTELOMUXGFA-OLZOCXBDSA-N 1 1 282.453 3.334 20 30 CGEDMO C[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000268630019 378082864 /nfs/dbraw/zinc/08/28/64/378082864.db2.gz BLCJEMJXKWKSRM-AUUYWEPGSA-N 1 1 292.382 3.211 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)C[C@H]1CC=CCC1 ZINC000344026184 378155461 /nfs/dbraw/zinc/15/54/61/378155461.db2.gz BKSJRAQZIUFFFV-CVEARBPZSA-N 1 1 278.440 3.088 20 30 CGEDMO CCCC[N@H+](C)C[C@@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000579292178 378146699 /nfs/dbraw/zinc/14/66/99/378146699.db2.gz ZPDXENCXLMNFIU-HUUCEWRRSA-N 1 1 273.424 3.329 20 30 CGEDMO CCCC[N@@H+](C)C[C@@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000579292178 378146705 /nfs/dbraw/zinc/14/67/05/378146705.db2.gz ZPDXENCXLMNFIU-HUUCEWRRSA-N 1 1 273.424 3.329 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000268680571 378089851 /nfs/dbraw/zinc/08/98/51/378089851.db2.gz WYVYAIKNDOEBJS-DGCLKSJQSA-N 1 1 269.335 3.285 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCC[C@H](C3CC3)C2)cc1 ZINC000344054091 378157247 /nfs/dbraw/zinc/15/72/47/378157247.db2.gz AUUPICXBGGHPEP-KRWDZBQOSA-N 1 1 254.377 3.375 20 30 CGEDMO CCc1ccc[nH+]c1NCc1ccc(OC)c(C#N)c1 ZINC000269765860 378264679 /nfs/dbraw/zinc/26/46/79/378264679.db2.gz FOIALDUSWJVSJX-UHFFFAOYSA-N 1 1 267.332 3.136 20 30 CGEDMO C[N@@H+](CCCCc1ccccc1)Cc1ccc(C#N)cn1 ZINC000580273202 378236018 /nfs/dbraw/zinc/23/60/18/378236018.db2.gz HUZXAOYGKUPGLB-UHFFFAOYSA-N 1 1 279.387 3.408 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000269617371 378243403 /nfs/dbraw/zinc/24/34/03/378243403.db2.gz CXZYGIKFGVJTLS-CVEARBPZSA-N 1 1 263.356 3.290 20 30 CGEDMO N#Cc1ccc(C[N@H+](CCc2cccc(F)c2)C2CC2)nc1 ZINC000583915512 378358599 /nfs/dbraw/zinc/35/85/99/378358599.db2.gz GUVCNSGJWMGVPZ-UHFFFAOYSA-N 1 1 295.361 3.299 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000582227127 378294937 /nfs/dbraw/zinc/29/49/37/378294937.db2.gz TWNGUJVVBHWYMX-QGZVFWFLSA-N 1 1 298.430 3.367 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@@H]1Cn1c(C)nc2ccccc21 ZINC000271034367 378433624 /nfs/dbraw/zinc/43/36/24/378433624.db2.gz LMUFLPJPUGHVFS-MRXNPFEDSA-N 1 1 281.403 3.223 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(F)cn1)c1ccc(C#N)c(F)c1 ZINC000346173519 378490489 /nfs/dbraw/zinc/49/04/89/378490489.db2.gz JBBUVYBACCIDIR-SNVBAGLBSA-N 1 1 273.286 3.082 20 30 CGEDMO C[C@H]([NH2+]Cc1ccn(C(F)F)n1)c1ccc(C#N)cc1 ZINC000346644871 378659741 /nfs/dbraw/zinc/65/97/41/378659741.db2.gz BSPAUQZXVJWWHI-JTQLQIEISA-N 1 1 276.290 3.001 20 30 CGEDMO C=CCOCCC[N@@H+]1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC000348028899 378757285 /nfs/dbraw/zinc/75/72/85/378757285.db2.gz CVROVXOPTVXJGK-FUHWJXTLSA-N 1 1 289.419 3.350 20 30 CGEDMO C#CCC[N@@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000272767655 378701090 /nfs/dbraw/zinc/70/10/90/378701090.db2.gz AIZVBUKRGFNVSZ-CQSZACIVSA-N 1 1 283.293 3.102 20 30 CGEDMO C#CCC[N@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000272767655 378701094 /nfs/dbraw/zinc/70/10/94/378701094.db2.gz AIZVBUKRGFNVSZ-CQSZACIVSA-N 1 1 283.293 3.102 20 30 CGEDMO Cc1csc([C@H](C)[NH2+]Cc2ccc(CC#N)cc2)n1 ZINC000348098521 378790926 /nfs/dbraw/zinc/79/09/26/378790926.db2.gz TZNIBLGEGMFFQB-LBPRGKRZSA-N 1 1 271.389 3.368 20 30 CGEDMO C=CCOCCC[N@H+](C)Cc1ccc(F)cc1C ZINC000348166589 378819227 /nfs/dbraw/zinc/81/92/27/378819227.db2.gz HDRXPUZSTHUFJC-UHFFFAOYSA-N 1 1 251.345 3.159 20 30 CGEDMO C=CCOCCC[N@H+](C)Cc1cccc2[nH]ccc21 ZINC000348168057 378821228 /nfs/dbraw/zinc/82/12/28/378821228.db2.gz KYVIBAKJUBKJMI-UHFFFAOYSA-N 1 1 258.365 3.192 20 30 CGEDMO C[C@@H](NCC(C)(C)C[NH+]1CCCC1)c1ccc(C#N)cc1 ZINC000276673722 378979208 /nfs/dbraw/zinc/97/92/08/378979208.db2.gz ZIKVDLAAKFZTPS-OAHLLOKOSA-N 1 1 285.435 3.331 20 30 CGEDMO C[C@@H]1CC[N@@H+](CCCSCC#N)CC12CCC2 ZINC000371436679 379162735 /nfs/dbraw/zinc/16/27/35/379162735.db2.gz AXUOOSVRXCKVRI-CYBMUJFWSA-N 1 1 252.427 3.145 20 30 CGEDMO CN(C)CC[N@@H+](Cc1ccc(C#N)o1)CC1CCCCC1 ZINC000349071052 379153283 /nfs/dbraw/zinc/15/32/83/379153283.db2.gz FINJOMHRCOJDIK-UHFFFAOYSA-N 1 1 289.423 3.095 20 30 CGEDMO CN(C)CC[N@H+](Cc1ccc(C#N)o1)CC1CCCCC1 ZINC000349071052 379153293 /nfs/dbraw/zinc/15/32/93/379153293.db2.gz FINJOMHRCOJDIK-UHFFFAOYSA-N 1 1 289.423 3.095 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccccc2OCCCCO)C1 ZINC000639346919 379304106 /nfs/dbraw/zinc/30/41/06/379304106.db2.gz FYMBYHRTLQASST-INIZCTEOSA-N 1 1 289.419 3.236 20 30 CGEDMO C=CC[N@@H+](CCc1cnccn1)CC1CCCCC1 ZINC000639487824 379428065 /nfs/dbraw/zinc/42/80/65/379428065.db2.gz XXBUKFIFCCAMHI-UHFFFAOYSA-N 1 1 259.397 3.087 20 30 CGEDMO CC(C)C[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000349862269 379428684 /nfs/dbraw/zinc/42/86/84/379428684.db2.gz UQTUDDPUPUSEQC-UHFFFAOYSA-N 1 1 260.381 3.457 20 30 CGEDMO C[C@H](CC1CCOCC1)C[N@H+](CC#N)C1CCCC1 ZINC000349973094 379465342 /nfs/dbraw/zinc/46/53/42/379465342.db2.gz KPHGLADUVAEISN-CQSZACIVSA-N 1 1 264.413 3.207 20 30 CGEDMO C[C@H](CC1CCOCC1)C[N@@H+](CC#N)C1CCCC1 ZINC000349973094 379465349 /nfs/dbraw/zinc/46/53/49/379465349.db2.gz KPHGLADUVAEISN-CQSZACIVSA-N 1 1 264.413 3.207 20 30 CGEDMO C=CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000350338631 379539737 /nfs/dbraw/zinc/53/97/37/379539737.db2.gz ZFQYYIGBOFIFDI-KRWDZBQOSA-N 1 1 286.419 3.237 20 30 CGEDMO CCCCCCCN1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000376041894 379519813 /nfs/dbraw/zinc/51/98/13/379519813.db2.gz IZQOMOPOWMTSQS-MRXNPFEDSA-N 1 1 282.472 3.142 20 30 CGEDMO CCCCCCC[N@@H+]1CCN(C2CCOCC2)C[C@H]1C ZINC000376041894 379519816 /nfs/dbraw/zinc/51/98/16/379519816.db2.gz IZQOMOPOWMTSQS-MRXNPFEDSA-N 1 1 282.472 3.142 20 30 CGEDMO CCCCCCC[N@H+]1CCN(C2CCOCC2)C[C@H]1C ZINC000376041894 379519823 /nfs/dbraw/zinc/51/98/23/379519823.db2.gz IZQOMOPOWMTSQS-MRXNPFEDSA-N 1 1 282.472 3.142 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](C)CCCOc1ccccc1C ZINC000351638170 379733983 /nfs/dbraw/zinc/73/39/83/379733983.db2.gz KDCMTPHPBRDEFR-INIZCTEOSA-N 1 1 277.408 3.023 20 30 CGEDMO CO[C@@]1(C)CCC[N@@H+](Cc2cc(F)ccc2C#N)CC1 ZINC000280603345 379743425 /nfs/dbraw/zinc/74/34/25/379743425.db2.gz VHYHEBNYFKLBGN-INIZCTEOSA-N 1 1 276.355 3.088 20 30 CGEDMO Cc1ccc(C#N)cc1NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000352685564 379909161 /nfs/dbraw/zinc/90/91/61/379909161.db2.gz MSBVILQNRKUTTN-HNNXBMFYSA-N 1 1 285.391 3.070 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H](C)S1 ZINC000404253274 379979707 /nfs/dbraw/zinc/97/97/07/379979707.db2.gz KLWQZMMDMDKCTN-PHIMTYICSA-N 1 1 264.369 3.023 20 30 CGEDMO CC(C)COCC[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000409446882 380038497 /nfs/dbraw/zinc/03/84/97/380038497.db2.gz XGUSTUSYIDQARS-QZTJIDSGSA-N 1 1 286.419 3.431 20 30 CGEDMO CC(C)COCC[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000409446882 380038502 /nfs/dbraw/zinc/03/85/02/380038502.db2.gz XGUSTUSYIDQARS-QZTJIDSGSA-N 1 1 286.419 3.431 20 30 CGEDMO C[N@@H+](CCC1(C#N)CCCCC1)CC1CCOCC1 ZINC000411452043 380146604 /nfs/dbraw/zinc/14/66/04/380146604.db2.gz ZHUHVDNVIXZXEC-UHFFFAOYSA-N 1 1 264.413 3.209 20 30 CGEDMO COC(=O)[C@H]1C[C@H](C)CC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411552296 380151537 /nfs/dbraw/zinc/15/15/37/380151537.db2.gz GIHPEZJKFYYAHW-HUUCEWRRSA-N 1 1 292.423 3.124 20 30 CGEDMO COC(=O)[C@H]1C[C@H](C)CC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411552296 380151542 /nfs/dbraw/zinc/15/15/42/380151542.db2.gz GIHPEZJKFYYAHW-HUUCEWRRSA-N 1 1 292.423 3.124 20 30 CGEDMO COCC#CC[N@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC000645229407 380625292 /nfs/dbraw/zinc/62/52/92/380625292.db2.gz IITFAZAVOPHFQX-FQEVSTJZSA-N 1 1 291.394 3.284 20 30 CGEDMO CO[C@@H](CC(C)C)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000419184694 380775920 /nfs/dbraw/zinc/77/59/20/380775920.db2.gz DCWJOQBYHOFZPX-INIZCTEOSA-N 1 1 260.381 3.051 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H](CC)OC ZINC000419276233 380792421 /nfs/dbraw/zinc/79/24/21/380792421.db2.gz KIPNTDKAQXFCHP-MRXNPFEDSA-N 1 1 279.428 3.267 20 30 CGEDMO C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCC[N@H+]1CCC(C)(C)C#N ZINC000420936383 380864341 /nfs/dbraw/zinc/86/43/41/380864341.db2.gz ZLTAACVMMAPKCA-ZIAGYGMSSA-N 1 1 294.439 3.368 20 30 CGEDMO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](CCC(C)(C)C#N)C1 ZINC000421024315 380869996 /nfs/dbraw/zinc/86/99/96/380869996.db2.gz PXKPZXWMUVYVBQ-ZIAGYGMSSA-N 1 1 294.439 3.226 20 30 CGEDMO C=CCN(CC[C@H]1CCC[NH2+]C1)Cc1ccccc1F ZINC000420326814 380848873 /nfs/dbraw/zinc/84/88/73/380848873.db2.gz XUONZBCJEJSZQK-OAHLLOKOSA-N 1 1 276.399 3.203 20 30 CGEDMO C[N@H+]1CCN(Cc2ccc(C#N)c(F)c2)c2ccccc2C1 ZINC000421358787 380894836 /nfs/dbraw/zinc/89/48/36/380894836.db2.gz UTSHERAZXILUCV-UHFFFAOYSA-N 1 1 295.361 3.149 20 30 CGEDMO C=CC1CC[NH+](Cn2ccn(C(C)C)c2=S)CC1 ZINC000732181040 572450371 /nfs/dbraw/zinc/45/03/71/572450371.db2.gz JACPZAGRDLHPNP-UHFFFAOYSA-N 1 1 265.426 3.455 20 30 CGEDMO C=CC[N@H+](C[C@H](O)Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000357527344 381196380 /nfs/dbraw/zinc/19/63/80/381196380.db2.gz JIKZRCKCNZFMNZ-OAHLLOKOSA-N 1 1 299.336 3.259 20 30 CGEDMO C=CC[N@@H+](CCC(=O)Nc1cccnc1)Cc1ccccc1 ZINC000358312207 381303870 /nfs/dbraw/zinc/30/38/70/381303870.db2.gz RNRXGMKCSDVTIP-UHFFFAOYSA-N 1 1 295.386 3.098 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)CCC1 ZINC000358497078 381312078 /nfs/dbraw/zinc/31/20/78/381312078.db2.gz NTKUKAZXZRNLII-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO CO[C@@H](C)C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000360003542 381406267 /nfs/dbraw/zinc/40/62/67/381406267.db2.gz JRASEWARIRYGIJ-AWEZNQCLSA-N 1 1 260.381 3.051 20 30 CGEDMO CCC[N@@H+](CC)C[C@H](C)Nc1nc(C)c(C#N)cc1Cl ZINC000359954833 381387651 /nfs/dbraw/zinc/38/76/51/381387651.db2.gz QLVQJINWSGJBIV-NSHDSACASA-N 1 1 294.830 3.447 20 30 CGEDMO Cc1nc(N[C@H](C)C[N@@H+](C)C(C)C)c(Cl)cc1C#N ZINC000359966348 381391531 /nfs/dbraw/zinc/39/15/31/381391531.db2.gz NDUIMQSAECXHDD-SNVBAGLBSA-N 1 1 280.803 3.056 20 30 CGEDMO CC(C)[C@H]1[N@@H+](Cc2cccc(C#N)c2)CC12CCOCC2 ZINC000334823308 207139654 /nfs/dbraw/zinc/13/96/54/207139654.db2.gz BRLSSMULHYZSRH-QGZVFWFLSA-N 1 1 284.403 3.195 20 30 CGEDMO CC[N@H+]1C[C@H](C)N(Cc2ccc(Cl)cc2C#N)C[C@@H]1C ZINC000360115292 381452065 /nfs/dbraw/zinc/45/20/65/381452065.db2.gz LLJNPNOADROJHK-STQMWFEESA-N 1 1 291.826 3.126 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](C)[C@@H]2C)c1C ZINC000361338997 381705619 /nfs/dbraw/zinc/70/56/19/381705619.db2.gz ZBUFTLKTORRTGX-OCCSQVGLSA-N 1 1 274.408 3.204 20 30 CGEDMO CC[N@@H+](CCC#N)CCCOc1cc(C)ccc1C ZINC000361446300 381749277 /nfs/dbraw/zinc/74/92/77/381749277.db2.gz QZRCHZKNWTYUQB-UHFFFAOYSA-N 1 1 260.381 3.308 20 30 CGEDMO CC[N@H+](CCC#N)CCCOc1cc(C)ccc1C ZINC000361446300 381749283 /nfs/dbraw/zinc/74/92/83/381749283.db2.gz QZRCHZKNWTYUQB-UHFFFAOYSA-N 1 1 260.381 3.308 20 30 CGEDMO CC[N@@H+](Cc1cc(C#N)n(C)c1)Cc1cccc(F)c1 ZINC000361499398 381776432 /nfs/dbraw/zinc/77/64/32/381776432.db2.gz YYHRSHNROBBPMA-UHFFFAOYSA-N 1 1 271.339 3.058 20 30 CGEDMO Cn1cc(C[N@H+]2CCCC3(CCCC3)C2)cc1C#N ZINC000361608031 381836666 /nfs/dbraw/zinc/83/66/66/381836666.db2.gz DVTIFWLOSDQTJF-UHFFFAOYSA-N 1 1 257.381 3.053 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000362219659 381909738 /nfs/dbraw/zinc/90/97/38/381909738.db2.gz OICNCUWUVRRRRU-QGZVFWFLSA-N 1 1 295.361 3.384 20 30 CGEDMO Clc1ccc(C#CC[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000365884014 382298390 /nfs/dbraw/zinc/29/83/90/382298390.db2.gz HBYTXKJXZUYVIT-OAHLLOKOSA-N 1 1 299.805 3.294 20 30 CGEDMO C[C@H]([NH2+][C@@H](c1nccn1C)C1CC1)c1cccc(C#N)c1 ZINC000353881066 220385140 /nfs/dbraw/zinc/38/51/40/220385140.db2.gz POTKBLDJOOKSND-BLLLJJGKSA-N 1 1 280.375 3.094 20 30 CGEDMO CCCC[N@@H+](C)C[C@H](C)Nc1nc(Cl)c(C#N)s1 ZINC000288699668 197148127 /nfs/dbraw/zinc/14/81/27/197148127.db2.gz BTMUCZGPRXMTJI-VIFPVBQESA-N 1 1 286.832 3.200 20 30 CGEDMO COc1cc(C[N@H+]2CC[C@H](CC(C)C)C2)ccc1C#N ZINC000307772471 542422771 /nfs/dbraw/zinc/42/27/71/542422771.db2.gz IHQURJHTNXDSGI-OAHLLOKOSA-N 1 1 272.392 3.435 20 30 CGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](C3CC3)C2)cc1 ZINC000329658943 542447800 /nfs/dbraw/zinc/44/78/00/542447800.db2.gz NXEVLGCZTQGBQL-INIZCTEOSA-N 1 1 297.402 3.009 20 30 CGEDMO COc1ccccc1C[N@H+](C)Cc1cc(C#N)cs1 ZINC000179589486 260056631 /nfs/dbraw/zinc/05/66/31/260056631.db2.gz HIVUQKXPOYQHMV-UHFFFAOYSA-N 1 1 272.373 3.260 20 30 CGEDMO COc1ccccc1C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000179589486 260056632 /nfs/dbraw/zinc/05/66/32/260056632.db2.gz HIVUQKXPOYQHMV-UHFFFAOYSA-N 1 1 272.373 3.260 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC(C)(C)C[C@H]1C ZINC000412047585 533493878 /nfs/dbraw/zinc/49/38/78/533493878.db2.gz SQHKZMCDMMYKMB-GFCCVEGCSA-N 1 1 258.365 3.187 20 30 CGEDMO CCCC[N@@H+](CCOc1cccc(C#N)c1)C1CC1 ZINC000048335238 391996246 /nfs/dbraw/zinc/99/62/46/391996246.db2.gz LEAOLUHINIWFAJ-UHFFFAOYSA-N 1 1 258.365 3.202 20 30 CGEDMO CC(=O)Nc1ccc(C[N@@H+](CCC#N)CCC(C)C)cc1 ZINC000093100847 392234552 /nfs/dbraw/zinc/23/45/52/392234552.db2.gz HLHNOENNQJASCL-UHFFFAOYSA-N 1 1 287.407 3.407 20 30 CGEDMO CC(=O)Nc1ccc(C[N@H+](CCC#N)CCC(C)C)cc1 ZINC000093100847 392234555 /nfs/dbraw/zinc/23/45/55/392234555.db2.gz HLHNOENNQJASCL-UHFFFAOYSA-N 1 1 287.407 3.407 20 30 CGEDMO C[C@@H]1CCC[C@H](C)C[N@@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000093509188 392236884 /nfs/dbraw/zinc/23/68/84/392236884.db2.gz UZLYGOLTOFVYBD-UONOGXRCSA-N 1 1 282.391 3.216 20 30 CGEDMO C[C@H](CC#N)[N@H+](C)Cc1cccc(-c2cccnc2)c1 ZINC000093090681 392233818 /nfs/dbraw/zinc/23/38/18/392233818.db2.gz PUDVACQPKPBOQS-CQSZACIVSA-N 1 1 265.360 3.483 20 30 CGEDMO C[C@H](CC#N)[N@@H+](C)Cc1cccc(-c2cccnc2)c1 ZINC000093090681 392233825 /nfs/dbraw/zinc/23/38/25/392233825.db2.gz PUDVACQPKPBOQS-CQSZACIVSA-N 1 1 265.360 3.483 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)CCOc1ccccc1C#N ZINC000109812411 392374334 /nfs/dbraw/zinc/37/43/34/392374334.db2.gz WBFAKUPSRWXULL-UHFFFAOYSA-N 1 1 285.391 3.199 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)CCOc1ccccc1C#N ZINC000109812411 392374339 /nfs/dbraw/zinc/37/43/39/392374339.db2.gz WBFAKUPSRWXULL-UHFFFAOYSA-N 1 1 285.391 3.199 20 30 CGEDMO C=C(C)COc1cc(C[N@H+](C)C[C@H](C)OC)ccc1OC ZINC000289612026 392425820 /nfs/dbraw/zinc/42/58/20/392425820.db2.gz LGNVJOUNTYCSSQ-AWEZNQCLSA-N 1 1 293.407 3.117 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](CC=C)Cc1ccc(OC)cc1 ZINC000123511174 392428448 /nfs/dbraw/zinc/42/84/48/392428448.db2.gz WEBHZERCEVAABZ-MRXNPFEDSA-N 1 1 275.392 3.010 20 30 CGEDMO Cc1cccc(NC2CC[NH+](C[C@@H](C#N)CCC#N)CC2)c1 ZINC000125681012 392440728 /nfs/dbraw/zinc/44/07/28/392440728.db2.gz TXGJJKDCLRTTBE-MRXNPFEDSA-N 1 1 296.418 3.315 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000365415800 392444613 /nfs/dbraw/zinc/44/46/13/392444613.db2.gz YOADBLGKFHSGIB-RHSMWYFYSA-N 1 1 292.386 3.289 20 30 CGEDMO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(F)c(F)c1 ZINC000121012339 392407285 /nfs/dbraw/zinc/40/72/85/392407285.db2.gz PFXDECIEHANAPF-MNOVXSKESA-N 1 1 263.291 3.059 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](Oc3ccccc3)C2)o1 ZINC000371412670 392517683 /nfs/dbraw/zinc/51/76/83/392517683.db2.gz IRUNCNNWLLZOBB-MRXNPFEDSA-N 1 1 282.343 3.195 20 30 CGEDMO C=CC[N@@H+](Cc1c(C)nn(C)c1C)Cc1ccccc1 ZINC000154839492 392536856 /nfs/dbraw/zinc/53/68/56/392536856.db2.gz GGWCJOXJWRKWOZ-UHFFFAOYSA-N 1 1 269.392 3.225 20 30 CGEDMO C=CC[N@H+](Cc1c(C)nn(C)c1C)Cc1ccccc1 ZINC000154839492 392536863 /nfs/dbraw/zinc/53/68/63/392536863.db2.gz GGWCJOXJWRKWOZ-UHFFFAOYSA-N 1 1 269.392 3.225 20 30 CGEDMO CC#CCC[N@H+](Cc1ccccc1OC)C[C@H]1CCCO1 ZINC000155099057 392538844 /nfs/dbraw/zinc/53/88/44/392538844.db2.gz ATYIGQXGJWDWLE-QGZVFWFLSA-N 1 1 287.403 3.090 20 30 CGEDMO C=CCCCCC[N@@H+](C)[C@H](C)c1nnc(CC)o1 ZINC000150881090 392482288 /nfs/dbraw/zinc/48/22/88/392482288.db2.gz ILKCCUFPGUZTMT-GFCCVEGCSA-N 1 1 251.374 3.371 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H](C)c1nnc(CC)o1 ZINC000150881090 392482290 /nfs/dbraw/zinc/48/22/90/392482290.db2.gz ILKCCUFPGUZTMT-GFCCVEGCSA-N 1 1 251.374 3.371 20 30 CGEDMO CC#CCCCC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000373873029 392665457 /nfs/dbraw/zinc/66/54/57/392665457.db2.gz UTDSEWHEUMEZJE-KRWDZBQOSA-N 1 1 290.451 3.093 20 30 CGEDMO COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1CCCCC#N ZINC000374143155 392669670 /nfs/dbraw/zinc/66/96/70/392669670.db2.gz RMGSGJSFCLFCMK-HOTGVXAUSA-N 1 1 292.423 3.124 20 30 CGEDMO C=CC[C@H](CC)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000374160745 392671299 /nfs/dbraw/zinc/67/12/99/392671299.db2.gz LFFBLJREUHMXQO-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO CCc1[nH]nc(NC(=O)CC[C@@H]2CCCC[N@H+]2C)c1C ZINC000329531999 392687127 /nfs/dbraw/zinc/68/71/27/392687127.db2.gz JRHABQLDXFDWHM-LBPRGKRZSA-N 1 1 278.400 3.133 20 30 CGEDMO Cc1ccccc1[C@@H]1C[N@@H+](CCCCC#N)[C@H](C)CO1 ZINC000173833335 392630835 /nfs/dbraw/zinc/63/08/35/392630835.db2.gz SRRPGHNTXCSGIR-WBVHZDCISA-N 1 1 272.392 3.451 20 30 CGEDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)CCCSCC#N ZINC000174157787 392637108 /nfs/dbraw/zinc/63/71/08/392637108.db2.gz QNEMVRVTCUWIBK-LBPRGKRZSA-N 1 1 264.394 3.032 20 30 CGEDMO C=C[C@H](C)[NH2+][C@@H](C)c1ncc(Br)cc1F ZINC000308982623 392656449 /nfs/dbraw/zinc/65/64/49/392656449.db2.gz ISFCARIBYLRCGN-YUMQZZPRSA-N 1 1 273.149 3.208 20 30 CGEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1c(C)cccc1Cl ZINC000181264472 392726754 /nfs/dbraw/zinc/72/67/54/392726754.db2.gz ZCKCHOCOKSKXMU-UHFFFAOYSA-N 1 1 266.772 3.095 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)Nc1c(C)cccc1Cl ZINC000181264472 392726759 /nfs/dbraw/zinc/72/67/59/392726759.db2.gz ZCKCHOCOKSKXMU-UHFFFAOYSA-N 1 1 266.772 3.095 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(Cl)cc1)C[C@@H]1CCCC[C@@H]1O ZINC000181460876 392730626 /nfs/dbraw/zinc/73/06/26/392730626.db2.gz ABQNINGDNZDQQP-RDJZCZTQSA-N 1 1 291.822 3.174 20 30 CGEDMO C[N@@H+](CC#Cc1cccc(Cl)c1)C[C@@H]1CCCC[C@@H]1O ZINC000181467836 392731838 /nfs/dbraw/zinc/73/18/38/392731838.db2.gz VVVGENHSJNNJLE-RDJZCZTQSA-N 1 1 291.822 3.174 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(C(=O)OC)ccc1F ZINC000181874611 392737396 /nfs/dbraw/zinc/73/73/96/392737396.db2.gz YKWSPGSOGFPKDZ-UHFFFAOYSA-N 1 1 265.328 3.010 20 30 CGEDMO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(Cl)s1 ZINC000182969956 392752254 /nfs/dbraw/zinc/75/22/54/392752254.db2.gz YFPQINRRZPVUMP-NXEZZACHSA-N 1 1 267.785 3.496 20 30 CGEDMO Cc1ccc(C#N)c(N[C@H](C)C[N@@H+](C)Cc2ccccc2)n1 ZINC000180347308 392709274 /nfs/dbraw/zinc/70/92/74/392709274.db2.gz DLKCXUXCANUWMW-OAHLLOKOSA-N 1 1 294.402 3.194 20 30 CGEDMO C=C(C)CN(C)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000181077013 392720201 /nfs/dbraw/zinc/72/02/01/392720201.db2.gz AEHKHNTYJICCJK-HNNXBMFYSA-N 1 1 295.471 3.105 20 30 CGEDMO Cc1ccc(C[N@@H+](CCO)Cc2ccc(C#N)cc2C)cc1 ZINC000186326025 392782053 /nfs/dbraw/zinc/78/20/53/392782053.db2.gz SDBPYCZLUNZDIK-UHFFFAOYSA-N 1 1 294.398 3.170 20 30 CGEDMO C[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)CCS1 ZINC000192174440 392840988 /nfs/dbraw/zinc/84/09/88/392840988.db2.gz CLXHJTVBIHBBED-CYBMUJFWSA-N 1 1 263.381 3.005 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000338589631 392922588 /nfs/dbraw/zinc/92/25/88/392922588.db2.gz UHZJLEFNNWWKPS-CZUORRHYSA-N 1 1 281.346 3.023 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000338589631 392922590 /nfs/dbraw/zinc/92/25/90/392922590.db2.gz UHZJLEFNNWWKPS-CZUORRHYSA-N 1 1 281.346 3.023 20 30 CGEDMO Cc1ccc([C@H]2CCC[N@H+]2CCOCCC#N)cc1C ZINC000338927376 392936563 /nfs/dbraw/zinc/93/65/63/392936563.db2.gz YTPSNOCHKUXCAF-QGZVFWFLSA-N 1 1 272.392 3.371 20 30 CGEDMO C=CCOCC[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000338995764 392939284 /nfs/dbraw/zinc/93/92/84/392939284.db2.gz IKMFGMPUUMKMGX-UHFFFAOYSA-N 1 1 263.356 3.240 20 30 CGEDMO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459479132 392945754 /nfs/dbraw/zinc/94/57/54/392945754.db2.gz UISOJMMMDCVUOO-DGCLKSJQSA-N 1 1 273.336 3.229 20 30 CGEDMO CC(C)C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C(C)C ZINC000459291263 392940064 /nfs/dbraw/zinc/94/00/64/392940064.db2.gz DCVHDIWMJWXZGB-UHFFFAOYSA-N 1 1 275.352 3.333 20 30 CGEDMO C=CCOCC[N@@H+]1C[C@@H](C)C[C@H]1c1cccc(OC)c1 ZINC000339084897 392947029 /nfs/dbraw/zinc/94/70/29/392947029.db2.gz RQKRGPRCGGJMHW-YOEHRIQHSA-N 1 1 275.392 3.281 20 30 CGEDMO C[C@H](CO)[N@@H+](CCC1(C#N)CCCCC1)C1CCCC1 ZINC000411600017 392981598 /nfs/dbraw/zinc/98/15/98/392981598.db2.gz DAHLTZMLQJMXIS-OAHLLOKOSA-N 1 1 278.440 3.476 20 30 CGEDMO C[N@@H+](CC[C@@H]1CCCO1)CCC1(C#N)CCCCC1 ZINC000411625951 392981720 /nfs/dbraw/zinc/98/17/20/392981720.db2.gz VMSGXBFFOMNKRF-HNNXBMFYSA-N 1 1 264.413 3.351 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)C[C@@H]1CCCCC1(F)F ZINC000411643522 392983464 /nfs/dbraw/zinc/98/34/64/392983464.db2.gz IHIFJENZBLACOD-AWEZNQCLSA-N 1 1 274.399 3.252 20 30 CGEDMO C=CC[N@@H+](C)CCN(CC)C[C@@H]1CCCCC1(F)F ZINC000411643522 392983466 /nfs/dbraw/zinc/98/34/66/392983466.db2.gz IHIFJENZBLACOD-AWEZNQCLSA-N 1 1 274.399 3.252 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C[C@@H]1CCCCC1(F)F ZINC000411643522 392983469 /nfs/dbraw/zinc/98/34/69/392983469.db2.gz IHIFJENZBLACOD-AWEZNQCLSA-N 1 1 274.399 3.252 20 30 CGEDMO C[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)C[C@H](C2CC2)O1 ZINC000411656874 392984702 /nfs/dbraw/zinc/98/47/02/392984702.db2.gz DICLVGUSXYKTDH-GOEBONIOSA-N 1 1 276.424 3.350 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000411688034 392984767 /nfs/dbraw/zinc/98/47/67/392984767.db2.gz HPQOXFNUZZUBON-GJZGRUSLSA-N 1 1 286.423 3.091 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000411743111 392985798 /nfs/dbraw/zinc/98/57/98/392985798.db2.gz FPHXRJZSPWNIDA-PBHICJAKSA-N 1 1 270.376 3.148 20 30 CGEDMO N#CC1(C[N@H+]2CCC[C@H]2Cc2cccc(F)c2)CC1 ZINC000343145335 393019684 /nfs/dbraw/zinc/01/96/84/393019684.db2.gz BUBBSGAHHNRUQO-HNNXBMFYSA-N 1 1 258.340 3.136 20 30 CGEDMO N#CC1(C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)CC1 ZINC000343145335 393019687 /nfs/dbraw/zinc/01/96/87/393019687.db2.gz BUBBSGAHHNRUQO-HNNXBMFYSA-N 1 1 258.340 3.136 20 30 CGEDMO C=CCOc1ccccc1C[N@H+](C)[C@H](C)CC(=O)OCC ZINC000346339334 393083433 /nfs/dbraw/zinc/08/34/33/393083433.db2.gz SCGFXUROQXDGDN-CQSZACIVSA-N 1 1 291.391 3.025 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCCC3(CCC3)C2)cc1 ZINC000348192691 393115491 /nfs/dbraw/zinc/11/54/91/393115491.db2.gz JEBIYZJXRIOCEK-UHFFFAOYSA-N 1 1 257.352 3.443 20 30 CGEDMO CCCOc1cccc(C[NH+]2CCC(F)(C#N)CC2)c1 ZINC000348665986 393127466 /nfs/dbraw/zinc/12/74/66/393127466.db2.gz ASNQVDWEHRGNQW-UHFFFAOYSA-N 1 1 276.355 3.303 20 30 CGEDMO CC(C)C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000469196702 393180835 /nfs/dbraw/zinc/18/08/35/393180835.db2.gz HKXLSWJIZWSHHH-INIZCTEOSA-N 1 1 299.418 3.255 20 30 CGEDMO C=C1CCN(C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000348817073 393132289 /nfs/dbraw/zinc/13/22/89/393132289.db2.gz KFJMPJZRVYYWCL-HNNXBMFYSA-N 1 1 292.810 3.121 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@H](COC(F)F)C2)c1 ZINC000348867172 393133552 /nfs/dbraw/zinc/13/35/52/393133552.db2.gz HXDQPFINOBJOJE-AWEZNQCLSA-N 1 1 297.345 3.313 20 30 CGEDMO CC[C@@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1ccc(C#N)cc1 ZINC000278618461 393322358 /nfs/dbraw/zinc/32/23/58/393322358.db2.gz GBSGJNKRCMDELS-CVEARBPZSA-N 1 1 280.375 3.400 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+](C)Cc1ccc2cc(OC)ccc2c1 ZINC000649231595 393379126 /nfs/dbraw/zinc/37/91/26/393379126.db2.gz ONEOBIDQNXFBEU-SFHVURJKSA-N 1 1 285.387 3.217 20 30 CGEDMO COC[C@@H]([NH2+]Cc1ccc(C#N)c(C)c1)c1ccc(C)o1 ZINC000488312260 393484005 /nfs/dbraw/zinc/48/40/05/393484005.db2.gz JRWJYPNKWYLEOL-MRXNPFEDSA-N 1 1 284.359 3.245 20 30 CGEDMO C[C@@H](CCNc1cccnc1C#N)[N@@H+](C)Cc1ccccc1 ZINC000357502813 393511276 /nfs/dbraw/zinc/51/12/76/393511276.db2.gz LYZKCLOLNJRMEB-HNNXBMFYSA-N 1 1 294.402 3.276 20 30 CGEDMO CC[N@@H+](CC#Cc1ccccc1Cl)[C@H]1CCCOC1 ZINC000649755173 393573459 /nfs/dbraw/zinc/57/34/59/393573459.db2.gz GZTSWPOCSQZERO-HNNXBMFYSA-N 1 1 277.795 3.192 20 30 CGEDMO CC[N@@H+](CC#Cc1cccc(Cl)c1)[C@H]1CCCOC1 ZINC000649755059 393574096 /nfs/dbraw/zinc/57/40/96/393574096.db2.gz DEMAYGVFNVMMHZ-INIZCTEOSA-N 1 1 277.795 3.192 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+]1CCc2ccc(Cl)cc2[C@H](C)C1 ZINC000649746783 393570459 /nfs/dbraw/zinc/57/04/59/393570459.db2.gz IIFJKGXNDMAIHD-WBMJQRKESA-N 1 1 279.811 3.239 20 30 CGEDMO C=CC1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000360636371 393571689 /nfs/dbraw/zinc/57/16/89/393571689.db2.gz IZSXNMWRUFXEIO-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCOc1ccc(CN[C@@H]2CCC[NH2+]CC2)cc1Cl ZINC000666855337 542820406 /nfs/dbraw/zinc/82/04/06/542820406.db2.gz NDWJKABHRJUXGB-CQSZACIVSA-N 1 1 294.826 3.137 20 30 CGEDMO Cn1cc(C[N@@H+](C)[C@H]2CC2(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000489490256 393600384 /nfs/dbraw/zinc/60/03/84/393600384.db2.gz CDHRLDVXERYFTC-INIZCTEOSA-N 1 1 294.402 3.189 20 30 CGEDMO CN(C)C1(C[NH2+]Cc2ccc(C#N)c(F)c2)CCCCC1 ZINC000421331565 393605560 /nfs/dbraw/zinc/60/55/60/393605560.db2.gz KDQZVBSWEAKQML-UHFFFAOYSA-N 1 1 289.398 3.051 20 30 CGEDMO C[N@@H+](CCOc1ccccc1C#N)C1(C)CCCC1 ZINC000489848981 393616099 /nfs/dbraw/zinc/61/60/99/393616099.db2.gz ZIOCDMXIFPDRPV-UHFFFAOYSA-N 1 1 258.365 3.202 20 30 CGEDMO CC[N@H+](Cc1cccc(OCCCC#N)c1)C[C@H](C)OC ZINC000361010664 393640522 /nfs/dbraw/zinc/64/05/22/393640522.db2.gz QKTPVHOJTWBGNU-HNNXBMFYSA-N 1 1 290.407 3.226 20 30 CGEDMO COCCCCc1ccc[nH+]c1N[C@@H]1CC[C@H](C#N)C1 ZINC000361019112 393644680 /nfs/dbraw/zinc/64/46/80/393644680.db2.gz WZSVNTRYVTZHJG-DZGCQCFKSA-N 1 1 273.380 3.155 20 30 CGEDMO C=CCC[C@H](C)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000361053209 393657400 /nfs/dbraw/zinc/65/74/00/393657400.db2.gz QEYOWZICFMIALN-YOEHRIQHSA-N 1 1 274.408 3.020 20 30 CGEDMO C=CCCC[N@H+]1Cc2ccccc2[C@H](C(=O)OCC)C1 ZINC000441123766 393735392 /nfs/dbraw/zinc/73/53/92/393735392.db2.gz KIYKPUXCTXZSCD-MRXNPFEDSA-N 1 1 273.376 3.115 20 30 CGEDMO COc1cc(C[N@H+]2CCc3cc(C)ccc3C2)ccc1C#N ZINC000443071796 393742549 /nfs/dbraw/zinc/74/25/49/393742549.db2.gz QOPJBWTUSFFVII-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO COc1cc(C[N@H+]2CCCC3(CCC3)C2)ccc1C#N ZINC000443074535 393742929 /nfs/dbraw/zinc/74/29/29/393742929.db2.gz VUTQXDIRCQRUBF-UHFFFAOYSA-N 1 1 270.376 3.333 20 30 CGEDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000443311506 393751025 /nfs/dbraw/zinc/75/10/25/393751025.db2.gz LJZYAYPULYUSDV-BFQNTYOBSA-N 1 1 292.810 3.193 20 30 CGEDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000443311506 393751028 /nfs/dbraw/zinc/75/10/28/393751028.db2.gz LJZYAYPULYUSDV-BFQNTYOBSA-N 1 1 292.810 3.193 20 30 CGEDMO Cc1ccccc1[C@H]1C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC000361213126 393703854 /nfs/dbraw/zinc/70/38/54/393703854.db2.gz CXIJFHQPZAAASC-LJQANCHMSA-N 1 1 292.382 3.440 20 30 CGEDMO Cc1ccccc1[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC000361213126 393703857 /nfs/dbraw/zinc/70/38/57/393703857.db2.gz CXIJFHQPZAAASC-LJQANCHMSA-N 1 1 292.382 3.440 20 30 CGEDMO Cc1cc(C[NH2+]Cc2ccn(C3CCCC3)n2)ccc1C#N ZINC000443989179 393779958 /nfs/dbraw/zinc/77/99/58/393779958.db2.gz NVXMLIXZDYOIFY-UHFFFAOYSA-N 1 1 294.402 3.468 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)[C@H]1C(C)C ZINC000449559803 393902843 /nfs/dbraw/zinc/90/28/43/393902843.db2.gz ZEXBDQVTWAPCGR-WMZOPIPTSA-N 1 1 296.418 3.318 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCOCC23CCCCC3)c1 ZINC000449623729 393924538 /nfs/dbraw/zinc/92/45/38/393924538.db2.gz KLCDZLPOJXTSQB-UHFFFAOYSA-N 1 1 270.376 3.093 20 30 CGEDMO CO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)cc2F)C12CCC2 ZINC000449635185 393930548 /nfs/dbraw/zinc/93/05/48/393930548.db2.gz TTWNWPWIJCHZIR-JKSUJKDBSA-N 1 1 288.366 3.087 20 30 CGEDMO CC1(C)CCC[N@@H+]1CCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000453395932 394231804 /nfs/dbraw/zinc/23/18/04/394231804.db2.gz KATZORZOPZUXNX-QGZVFWFLSA-N 1 1 283.419 3.010 20 30 CGEDMO CC1(C)CCC[N@H+]1CCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000453395932 394231812 /nfs/dbraw/zinc/23/18/12/394231812.db2.gz KATZORZOPZUXNX-QGZVFWFLSA-N 1 1 283.419 3.010 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2ccccc2NC(C)=O)C1 ZINC000668494141 543020013 /nfs/dbraw/zinc/02/00/13/543020013.db2.gz WNHIRDULPBNIIH-HNNXBMFYSA-N 1 1 272.392 3.433 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2ccnn2-c2ccncc2)C1 ZINC000668493538 543020197 /nfs/dbraw/zinc/02/01/97/543020197.db2.gz OTRZPIVODLXCRC-OAHLLOKOSA-N 1 1 282.391 3.055 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2ccc3[nH]cnc3c2)C1 ZINC000668493071 543020434 /nfs/dbraw/zinc/02/04/34/543020434.db2.gz JQQYGOQPMIPTBQ-CYBMUJFWSA-N 1 1 255.365 3.351 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc3nc[nH]c3c2)C1 ZINC000668493071 543020435 /nfs/dbraw/zinc/02/04/35/543020435.db2.gz JQQYGOQPMIPTBQ-CYBMUJFWSA-N 1 1 255.365 3.351 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2ccc3nc[nH]c3c2)C1 ZINC000668493071 543020436 /nfs/dbraw/zinc/02/04/36/543020436.db2.gz JQQYGOQPMIPTBQ-CYBMUJFWSA-N 1 1 255.365 3.351 20 30 CGEDMO COCC#CC[N@H+]1C[C@H](C)CC[C@@H]1c1ccccc1OC ZINC000671705884 543178468 /nfs/dbraw/zinc/17/84/68/543178468.db2.gz YGVRODLJNJUDHP-NVXWUHKLSA-N 1 1 287.403 3.118 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000338565723 397683796 /nfs/dbraw/zinc/68/37/96/397683796.db2.gz CWNPZKXDGVQJDR-CQSZACIVSA-N 1 1 268.364 3.185 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000338565723 397683798 /nfs/dbraw/zinc/68/37/98/397683798.db2.gz CWNPZKXDGVQJDR-CQSZACIVSA-N 1 1 268.364 3.185 20 30 CGEDMO FC1(F)C[C@@]12CC[N@H+](CC#Cc1ccccc1Cl)C2 ZINC000649906976 397751228 /nfs/dbraw/zinc/75/12/28/397751228.db2.gz HCEUYXBPWHUEKY-CQSZACIVSA-N 1 1 281.733 3.423 20 30 CGEDMO FC1(F)C[C@@]12CC[N@@H+](CC#Cc1ccccc1Cl)C2 ZINC000649906976 397751232 /nfs/dbraw/zinc/75/12/32/397751232.db2.gz HCEUYXBPWHUEKY-CQSZACIVSA-N 1 1 281.733 3.423 20 30 CGEDMO Clc1ccccc1C#CC[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000676714511 543412072 /nfs/dbraw/zinc/41/20/72/543412072.db2.gz LDJYXOZVDQHGOU-MRXNPFEDSA-N 1 1 299.805 3.225 20 30 CGEDMO Clc1ccccc1C#CC[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000676714511 543412075 /nfs/dbraw/zinc/41/20/75/543412075.db2.gz LDJYXOZVDQHGOU-MRXNPFEDSA-N 1 1 299.805 3.225 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+](C)Cc1csc2ccccc12 ZINC000677048316 543427916 /nfs/dbraw/zinc/42/79/16/543427916.db2.gz VLKDOPBLJWSABM-AWEZNQCLSA-N 1 1 261.390 3.270 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+](CC)C[C@H]1CCOC1 ZINC000678151421 543488746 /nfs/dbraw/zinc/48/87/46/543488746.db2.gz LIXXDKQRLBZQKA-OAHLLOKOSA-N 1 1 275.392 3.110 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H](n3ccnc3)C2)cc1 ZINC000678235696 543498465 /nfs/dbraw/zinc/49/84/65/543498465.db2.gz YHCMLQPAIQHLIV-KRWDZBQOSA-N 1 1 297.402 3.285 20 30 CGEDMO CC(C)COC1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000054325410 286942442 /nfs/dbraw/zinc/94/24/42/286942442.db2.gz AAQBAUOCOBDQSM-UHFFFAOYSA-N 1 1 290.382 3.334 20 30 CGEDMO CCc1noc(CC)c1C[NH2+]Cc1cc(C#N)cs1 ZINC000088745699 287087760 /nfs/dbraw/zinc/08/77/60/287087760.db2.gz SOWQCCSOAGDMLH-UHFFFAOYSA-N 1 1 275.377 3.022 20 30 CGEDMO COc1ccc(OC)c(C[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000073615674 165081032 /nfs/dbraw/zinc/08/10/32/165081032.db2.gz WYOSWQKZBDACNK-UHFFFAOYSA-N 1 1 296.370 3.207 20 30 CGEDMO COc1ccc(OC)c(C[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000073615674 165081035 /nfs/dbraw/zinc/08/10/35/165081035.db2.gz WYOSWQKZBDACNK-UHFFFAOYSA-N 1 1 296.370 3.207 20 30 CGEDMO CC[N@@H+](CCNc1ccc(Cl)cc1C#N)C1CC1 ZINC000080984502 165160030 /nfs/dbraw/zinc/16/00/30/165160030.db2.gz UGXVISNXMCGHNV-UHFFFAOYSA-N 1 1 263.772 3.108 20 30 CGEDMO CC[N@@H+](CCNc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000080977340 165160089 /nfs/dbraw/zinc/16/00/89/165160089.db2.gz NXRZIWILYHQOQR-UHFFFAOYSA-N 1 1 263.772 3.108 20 30 CGEDMO CCC(CC)[N@@H+](CCOC)Cc1cc(C#N)cs1 ZINC000092566017 165303246 /nfs/dbraw/zinc/30/32/46/165303246.db2.gz GKDLORDWPWGCGJ-UHFFFAOYSA-N 1 1 266.410 3.257 20 30 CGEDMO CCC1(CC)CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000094802945 165392511 /nfs/dbraw/zinc/39/25/11/165392511.db2.gz BGABAJQQCOQPHN-UHFFFAOYSA-N 1 1 285.391 3.009 20 30 CGEDMO C[C@H]1C[C@H](Nc2cc(Cl)ccc2C#N)C[N@H+]1C1CC1 ZINC000122818773 287212944 /nfs/dbraw/zinc/21/29/44/287212944.db2.gz XNLFPOGSJHELQD-GWCFXTLKSA-N 1 1 275.783 3.249 20 30 CGEDMO CC(C)[N@@H+](CCOc1ccc(C#N)cc1)Cc1cccnc1 ZINC000125733215 287249471 /nfs/dbraw/zinc/24/94/71/287249471.db2.gz RLGLHKRMBQUKIG-UHFFFAOYSA-N 1 1 295.386 3.243 20 30 CGEDMO CC1(C)C[N@@H+](CCCOc2cccc(C#N)c2)CCS1 ZINC000127308586 287285473 /nfs/dbraw/zinc/28/54/73/287285473.db2.gz ZYDVUINQCGECRO-UHFFFAOYSA-N 1 1 290.432 3.155 20 30 CGEDMO CC[C@@]1(C)CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000072802895 176430979 /nfs/dbraw/zinc/43/09/79/176430979.db2.gz HTXLRJUWFNSYDZ-KRWDZBQOSA-N 1 1 285.391 3.009 20 30 CGEDMO C[N@H+](Cc1cnc2ccc(C#N)cn12)CC1CCCCC1 ZINC000179936589 260080711 /nfs/dbraw/zinc/08/07/11/260080711.db2.gz CYSSHWJSMWVBGX-UHFFFAOYSA-N 1 1 282.391 3.218 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)cc1OC ZINC000679359794 543629058 /nfs/dbraw/zinc/62/90/58/543629058.db2.gz ONRCKWOCZLIBMP-ZFWWWQNUSA-N 1 1 293.382 3.440 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@H](C)[C@@H](F)C2)cc1OC ZINC000679359794 543629060 /nfs/dbraw/zinc/62/90/60/543629060.db2.gz ONRCKWOCZLIBMP-ZFWWWQNUSA-N 1 1 293.382 3.440 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1noc2c1CCCC2 ZINC000679330045 543620025 /nfs/dbraw/zinc/62/00/25/543620025.db2.gz ZOXHILXEZNIICL-UHFFFAOYSA-N 1 1 286.375 3.377 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1noc2c1CCCC2 ZINC000679330045 543620027 /nfs/dbraw/zinc/62/00/27/543620027.db2.gz ZOXHILXEZNIICL-UHFFFAOYSA-N 1 1 286.375 3.377 20 30 CGEDMO FC(F)O[C@@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000679683560 543656374 /nfs/dbraw/zinc/65/63/74/543656374.db2.gz ZEEZVNGPJYYCSN-CQSZACIVSA-N 1 1 299.748 3.395 20 30 CGEDMO FC(F)O[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000679683560 543656376 /nfs/dbraw/zinc/65/63/76/543656376.db2.gz ZEEZVNGPJYYCSN-CQSZACIVSA-N 1 1 299.748 3.395 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000679871870 543666756 /nfs/dbraw/zinc/66/67/56/543666756.db2.gz BCPKPLRPXYNIDX-QWHCGFSZSA-N 1 1 299.340 3.341 20 30 CGEDMO COCC#CC[N@@H+](CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000681471394 543788790 /nfs/dbraw/zinc/78/87/90/543788790.db2.gz YJJIUQBLBKFXHV-QGZVFWFLSA-N 1 1 286.419 3.067 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+](CC)C[C@H](CC)c1ccccc1 ZINC000681482028 543789709 /nfs/dbraw/zinc/78/97/09/543789709.db2.gz ZESPSJULCYLOCY-DOTOQJQBSA-N 1 1 261.409 3.439 20 30 CGEDMO CCc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)o1 ZINC000130762998 287362540 /nfs/dbraw/zinc/36/25/40/287362540.db2.gz XCFDZEHUPBEBMO-UHFFFAOYSA-N 1 1 254.333 3.346 20 30 CGEDMO C=CCC[N@@H+](C)Cc1nc(-c2ccccc2C)no1 ZINC000682435198 543845363 /nfs/dbraw/zinc/84/53/63/543845363.db2.gz MKVGQHUCYVKVPY-UHFFFAOYSA-N 1 1 257.337 3.053 20 30 CGEDMO C=CCC[N@H+](C)Cc1nc(-c2ccccc2C)no1 ZINC000682435198 543845366 /nfs/dbraw/zinc/84/53/66/543845366.db2.gz MKVGQHUCYVKVPY-UHFFFAOYSA-N 1 1 257.337 3.053 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@@H](C(C)(C)C)C2)cc1C#N ZINC000131348159 287377101 /nfs/dbraw/zinc/37/71/01/287377101.db2.gz NUQOKBOMZJTELU-OAHLLOKOSA-N 1 1 272.392 3.435 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H](C#N)C1CC1 ZINC000329019491 227259245 /nfs/dbraw/zinc/25/92/45/227259245.db2.gz HJHFBMSEHMVYRQ-XYPHTWIQSA-N 1 1 297.402 3.013 20 30 CGEDMO N#CC1CC[NH+](Cc2conc2Cc2ccccc2)CC1 ZINC000329015763 227259781 /nfs/dbraw/zinc/25/97/81/227259781.db2.gz QGAQZVQNCKCUOU-UHFFFAOYSA-N 1 1 281.359 3.001 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCC[C@@H](OC3CCC3)C2)cc1 ZINC000653815281 419089809 /nfs/dbraw/zinc/08/98/09/419089809.db2.gz QFIUSNABMIFGHR-GOSISDBHSA-N 1 1 287.378 3.211 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cnc2ccccc2n1 ZINC000660429752 419143305 /nfs/dbraw/zinc/14/33/05/419143305.db2.gz OXFKDXQYZRGJFL-CQSZACIVSA-N 1 1 253.349 3.170 20 30 CGEDMO C=C(CC)Cn1cc([C@@H]([NH3+])c2ccc(Cl)cc2F)nn1 ZINC000656453787 419172347 /nfs/dbraw/zinc/17/23/47/419172347.db2.gz WODIXFXWMCUJQT-AWEZNQCLSA-N 1 1 294.761 3.085 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cc(F)cc3c2OCOC3)C1 ZINC000661377913 419255305 /nfs/dbraw/zinc/25/53/05/419255305.db2.gz WNWYLQKMOWSHTK-ZDUSSCGKSA-N 1 1 291.366 3.480 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000661379851 419255356 /nfs/dbraw/zinc/25/53/56/419255356.db2.gz IYLSBGQWLRGNTI-QAPCUYQASA-N 1 1 298.430 3.294 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](CC(=O)Nc2cc(F)ccc2F)C1 ZINC000661378754 419255975 /nfs/dbraw/zinc/25/59/75/419255975.db2.gz LQVYNMRFLIJFOJ-LBPRGKRZSA-N 1 1 294.345 3.191 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](CC(=O)Nc2cc(F)ccc2F)C1 ZINC000661378754 419255978 /nfs/dbraw/zinc/25/59/78/419255978.db2.gz LQVYNMRFLIJFOJ-LBPRGKRZSA-N 1 1 294.345 3.191 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](CCCCCn2cccn2)C1 ZINC000661381262 419256024 /nfs/dbraw/zinc/25/60/24/419256024.db2.gz YTNYCHKQVPBTBA-MRXNPFEDSA-N 1 1 261.413 3.342 20 30 CGEDMO CC#CCC[N@@H+]1CCC[C@H]1c1ccc(OC)c(F)c1 ZINC000661659725 419282632 /nfs/dbraw/zinc/28/26/32/419282632.db2.gz LPYGOUVPQCAGOS-HNNXBMFYSA-N 1 1 261.340 3.385 20 30 CGEDMO C[C@@H]1COC2(CCCC2)C[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000661980514 419318866 /nfs/dbraw/zinc/31/88/66/419318866.db2.gz IGNOAJIHVYNZBE-OAHLLOKOSA-N 1 1 287.378 3.211 20 30 CGEDMO C[C@@H]1COC2(CCCC2)C[N@H+]1CC#Cc1ccc(F)cc1 ZINC000661980514 419318867 /nfs/dbraw/zinc/31/88/67/419318867.db2.gz IGNOAJIHVYNZBE-OAHLLOKOSA-N 1 1 287.378 3.211 20 30 CGEDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccc(F)cc1 ZINC000662129946 419340280 /nfs/dbraw/zinc/34/02/80/419340280.db2.gz OWFAVDOQAHZKFQ-FUCXHRTASA-N 1 1 257.352 3.440 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(CC)Cc1ccccc1 ZINC000662077907 419332795 /nfs/dbraw/zinc/33/27/95/419332795.db2.gz FVZSVXXKTLFQAC-HDICACEKSA-N 1 1 298.430 3.218 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn2cccc(C)c2n1 ZINC000662078815 419333395 /nfs/dbraw/zinc/33/33/95/419333395.db2.gz HESKVPVINMVZRQ-IYBDPMFKSA-N 1 1 267.376 3.326 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCN(Cc2ccccc2)C1 ZINC000662090786 419334684 /nfs/dbraw/zinc/33/46/84/419334684.db2.gz RKXPAXHGFDDGEM-CEXWTWQISA-N 1 1 282.431 3.444 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)[C@@H](C)c1ccccc1 ZINC000662089411 419334862 /nfs/dbraw/zinc/33/48/62/419334862.db2.gz XWJRKEKAGFRMFZ-OWLYRPNTSA-N 1 1 271.404 3.334 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000179577052 260055537 /nfs/dbraw/zinc/05/55/37/260055537.db2.gz FGJIVVFEHAVXRB-GJZGRUSLSA-N 1 1 287.469 3.020 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000117878749 260117373 /nfs/dbraw/zinc/11/73/73/260117373.db2.gz LFVNEXJBADMDTL-UHFFFAOYSA-N 1 1 274.408 3.177 20 30 CGEDMO N#CC1CC[NH+](Cc2ccccc2Br)CC1 ZINC000057907830 260226095 /nfs/dbraw/zinc/22/60/95/260226095.db2.gz LAYVJBVGHKJOLE-UHFFFAOYSA-N 1 1 279.181 3.185 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000374306278 260260029 /nfs/dbraw/zinc/26/00/29/260260029.db2.gz CRTLLAZYHOFAPH-IAGOWNOFSA-N 1 1 293.455 3.278 20 30 CGEDMO COc1ccc([C@@H]2CC[N@@H+](CCCSCC#N)C2)cc1 ZINC000080627878 260317476 /nfs/dbraw/zinc/31/74/76/260317476.db2.gz IKQGAWQAMMGZJH-OAHLLOKOSA-N 1 1 290.432 3.131 20 30 CGEDMO C=CC[N@@H+](CCCc1ccncc1)CCc1ccco1 ZINC000360473106 261065572 /nfs/dbraw/zinc/06/55/72/261065572.db2.gz ISKBMNKZMUEBBH-UHFFFAOYSA-N 1 1 270.376 3.338 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(OC(F)F)c(OC)c1 ZINC000184085734 262007904 /nfs/dbraw/zinc/00/79/04/262007904.db2.gz VFMFBMJMCCYNNR-LLVKDONJSA-N 1 1 284.306 3.078 20 30 CGEDMO CC[N@@H+](CCC#N)C[C@H](CNC(=O)OC(C)(C)C)C(C)C ZINC000497300340 262137306 /nfs/dbraw/zinc/13/73/06/262137306.db2.gz VTWHXOVYDHWPDG-AWEZNQCLSA-N 1 1 297.443 3.019 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000119945932 262178224 /nfs/dbraw/zinc/17/82/24/262178224.db2.gz RTDYZUMMPMGOJY-QGZVFWFLSA-N 1 1 286.419 3.465 20 30 CGEDMO C[C@@H]1C[C@@H]([N@@H+](C)CCCCC(C)(C)C#N)CCN1C ZINC000336806214 262395592 /nfs/dbraw/zinc/39/55/92/262395592.db2.gz LGKYUELFGUKIFX-CABCVRRESA-N 1 1 265.445 3.121 20 30 CGEDMO CC(C)(C#N)CCCN1CC[NH+](Cc2cccs2)CC1 ZINC000336821432 262397268 /nfs/dbraw/zinc/39/72/68/262397268.db2.gz HUIGTNNXYOXYCZ-UHFFFAOYSA-N 1 1 291.464 3.196 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000336827780 262398423 /nfs/dbraw/zinc/39/84/23/262398423.db2.gz IWQPERCKQFVZQW-CYBMUJFWSA-N 1 1 292.345 3.096 20 30 CGEDMO CC(C)[C@H](CO)[N@@H+](CCC(C)(C)C#N)Cc1ccccc1 ZINC000272069722 263002056 /nfs/dbraw/zinc/00/20/56/263002056.db2.gz YRXGWYMPCALULS-KRWDZBQOSA-N 1 1 288.435 3.445 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000272534115 263005926 /nfs/dbraw/zinc/00/59/26/263005926.db2.gz IVEHAXVYRHCVLC-HNNXBMFYSA-N 1 1 272.392 3.327 20 30 CGEDMO C[C@H](CCC#N)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000276254970 263035319 /nfs/dbraw/zinc/03/53/19/263035319.db2.gz ADEIPUNRTPVIST-IAGOWNOFSA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@H](CCC#N)[N@@H+]1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000276254970 263035320 /nfs/dbraw/zinc/03/53/20/263035320.db2.gz ADEIPUNRTPVIST-IAGOWNOFSA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000276254970 263035321 /nfs/dbraw/zinc/03/53/21/263035321.db2.gz ADEIPUNRTPVIST-IAGOWNOFSA-N 1 1 285.435 3.275 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@](C)(O)CC1 ZINC000280252423 263059938 /nfs/dbraw/zinc/05/99/38/263059938.db2.gz XDYHDYDQUDXLAA-GOSISDBHSA-N 1 1 286.419 3.225 20 30 CGEDMO C[N@@H+](CCCC1(C#N)CCOCC1)Cc1cccc(F)c1 ZINC000281987426 263073422 /nfs/dbraw/zinc/07/34/22/263073422.db2.gz MMQVBMJZAPLZOJ-UHFFFAOYSA-N 1 1 290.382 3.358 20 30 CGEDMO CC[C@H]1CC[N@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000292713944 263134161 /nfs/dbraw/zinc/13/41/61/263134161.db2.gz DNLIFJMRHYOCHM-KRWDZBQOSA-N 1 1 294.402 3.448 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000292859779 263135768 /nfs/dbraw/zinc/13/57/68/263135768.db2.gz RIVCCZFCYUHGRN-IXDOHACOSA-N 1 1 254.377 3.243 20 30 CGEDMO COc1ccccc1[C@@H]1CC[N@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000293009319 263137064 /nfs/dbraw/zinc/13/70/64/263137064.db2.gz HHDJRBYEUBNGNH-ZNMIVQPWSA-N 1 1 270.376 3.177 20 30 CGEDMO COc1cc2c(cc1Cl)C[N@@H+]([C@H]1CC[C@H](C#N)C1)CC2 ZINC000293260905 263139076 /nfs/dbraw/zinc/13/90/76/263139076.db2.gz UKACUEZDQDUQOG-FZMZJTMJSA-N 1 1 290.794 3.399 20 30 CGEDMO COc1cc2c(cc1Cl)C[N@H+]([C@H]1CC[C@H](C#N)C1)CC2 ZINC000293260905 263139077 /nfs/dbraw/zinc/13/90/77/263139077.db2.gz UKACUEZDQDUQOG-FZMZJTMJSA-N 1 1 290.794 3.399 20 30 CGEDMO C[N@@H+](Cc1ccccc1N1CCCC1)[C@@H]1CC[C@H](C#N)C1 ZINC000293355141 263139375 /nfs/dbraw/zinc/13/93/75/263139375.db2.gz DVQKUPMPJHUIGW-DOTOQJQBSA-N 1 1 283.419 3.411 20 30 CGEDMO C[N@@H+](CCOc1ccccc1Cl)[C@H]1CC[C@H](C#N)C1 ZINC000293389194 263139627 /nfs/dbraw/zinc/13/96/27/263139627.db2.gz GSGLQEBXECJMOF-STQMWFEESA-N 1 1 278.783 3.343 20 30 CGEDMO CCc1ccc(C2=CC[N@@H+](CCOCCC#N)CC2)cc1 ZINC000293694798 263147136 /nfs/dbraw/zinc/14/71/36/263147136.db2.gz CDOQRBNHQPGESO-UHFFFAOYSA-N 1 1 284.403 3.268 20 30 CGEDMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)CCOCCC#N ZINC000293719346 263147733 /nfs/dbraw/zinc/14/77/33/263147733.db2.gz YJJNDFKVOQRVEM-INIZCTEOSA-N 1 1 276.380 3.008 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)[C@H]1CC[C@@H](C#N)C1 ZINC000298324543 263217930 /nfs/dbraw/zinc/21/79/30/263217930.db2.gz ZKXFXEOIOIIKHF-CVEARBPZSA-N 1 1 270.376 3.375 20 30 CGEDMO N#CCC[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000298537059 263221535 /nfs/dbraw/zinc/22/15/35/263221535.db2.gz MTABZCWSJMXNTB-UHFFFAOYSA-N 1 1 298.308 3.214 20 30 CGEDMO C#CCCCCC(=O)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000120914063 263288544 /nfs/dbraw/zinc/28/85/44/263288544.db2.gz HEMNOGMISCEOTP-KRWDZBQOSA-N 1 1 296.414 3.191 20 30 CGEDMO C=C1CC[NH+](Cc2cc(Cl)cc3c2OCC3)CC1 ZINC000341301873 263333323 /nfs/dbraw/zinc/33/33/23/263333323.db2.gz GPOVTQLDXVLKTB-UHFFFAOYSA-N 1 1 263.768 3.427 20 30 CGEDMO CC1(C)CCC[N@@H+](CCNC(=O)c2cccc(CC#N)c2)C1 ZINC000331279882 264171387 /nfs/dbraw/zinc/17/13/87/264171387.db2.gz BAXZXSGVZYFFJE-UHFFFAOYSA-N 1 1 299.418 3.179 20 30 CGEDMO CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1c(C)cc(C)nc1C ZINC000331233551 264173503 /nfs/dbraw/zinc/17/35/03/264173503.db2.gz JTQMPWOWENCUIC-ZDUSSCGKSA-N 1 1 292.427 3.063 20 30 CGEDMO CC#CC[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000160150767 264237822 /nfs/dbraw/zinc/23/78/22/264237822.db2.gz LPWHBKPELSBPME-AWEZNQCLSA-N 1 1 299.349 3.078 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]Cc1ccc(COC)o1 ZINC000127686462 264263055 /nfs/dbraw/zinc/26/30/55/264263055.db2.gz GBLCYNISFGUMGQ-UHFFFAOYSA-N 1 1 287.359 3.281 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)Nc1ccc(F)cc1Cl ZINC000076801799 264344119 /nfs/dbraw/zinc/34/41/19/264344119.db2.gz YLKXKNBNWLIDHM-UHFFFAOYSA-N 1 1 284.762 3.316 20 30 CGEDMO C=CC[C@@H](C(=O)NCC[N@H+](CC)CCC)c1ccccc1 ZINC000190059425 264344128 /nfs/dbraw/zinc/34/41/28/264344128.db2.gz IYSVWDNKEBRPEK-QGZVFWFLSA-N 1 1 288.435 3.194 20 30 CGEDMO C#CCCOc1ccc(C[N@H+](C)[C@H]2CCSC2)cc1 ZINC000130577661 264360240 /nfs/dbraw/zinc/36/02/40/264360240.db2.gz RWPIEFDBHQCPOS-HNNXBMFYSA-N 1 1 275.417 3.026 20 30 CGEDMO CC[C@@H](C)C[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000037173146 270028753 /nfs/dbraw/zinc/02/87/53/270028753.db2.gz NSUJSLLIFVMJJP-CQSZACIVSA-N 1 1 260.381 3.305 20 30 CGEDMO Cc1cccc(C[N@H+](C)Cc2cccc(C#N)c2)c1 ZINC000042373821 270032945 /nfs/dbraw/zinc/03/29/45/270032945.db2.gz WECWKDWGNRLFEE-UHFFFAOYSA-N 1 1 250.345 3.499 20 30 CGEDMO CCC[C@]1(COC)CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000194921958 266083425 /nfs/dbraw/zinc/08/34/25/266083425.db2.gz QCUMRTDVBVQBAJ-QGZVFWFLSA-N 1 1 272.392 3.339 20 30 CGEDMO C=CC[N@@H+](CC(=O)N1c2ccccc2CC[C@H]1C)C1CC1 ZINC000357553861 266322167 /nfs/dbraw/zinc/32/21/67/266322167.db2.gz PITNWEGZEGMLME-CQSZACIVSA-N 1 1 284.403 3.005 20 30 CGEDMO C=CC[N@H+](CC(=O)N1c2ccccc2CC[C@H]1C)C1CC1 ZINC000357553861 266322169 /nfs/dbraw/zinc/32/21/69/266322169.db2.gz PITNWEGZEGMLME-CQSZACIVSA-N 1 1 284.403 3.005 20 30 CGEDMO C[N@@H+](Cc1ccccc1C#N)CC1(O)CCCCCC1 ZINC000187359108 266572865 /nfs/dbraw/zinc/57/28/65/266572865.db2.gz WSPYVZRZPMMMQP-UHFFFAOYSA-N 1 1 272.392 3.075 20 30 CGEDMO C[C@@H]1CCC[C@@H](C)[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000125182907 267016413 /nfs/dbraw/zinc/01/64/13/267016413.db2.gz XZYMMBYJMWFUQK-HUUCEWRRSA-N 1 1 299.418 3.397 20 30 CGEDMO CN1CC[N@@H+](CCCC(C)(C)C#N)Cc2ccccc21 ZINC000363307709 267086172 /nfs/dbraw/zinc/08/61/72/267086172.db2.gz VDMDFWLJZMLHQH-UHFFFAOYSA-N 1 1 271.408 3.268 20 30 CGEDMO C[C@H](CN[C@H]1CCc2ccc(C#N)cc21)[N@@H+]1CCCC[C@H]1C ZINC000353424484 267162233 /nfs/dbraw/zinc/16/22/33/267162233.db2.gz HJTMEDXVYVTWLC-CLCXKQKWSA-N 1 1 297.446 3.398 20 30 CGEDMO C[C@H](CN[C@H]1CCc2ccc(C#N)cc21)[N@H+]1CCCC[C@H]1C ZINC000353424484 267162235 /nfs/dbraw/zinc/16/22/35/267162235.db2.gz HJTMEDXVYVTWLC-CLCXKQKWSA-N 1 1 297.446 3.398 20 30 CGEDMO COc1ccc(C[NH2+]CC2(C#N)CCC2)cc1OC(F)F ZINC000418144708 267364616 /nfs/dbraw/zinc/36/46/16/267364616.db2.gz UXGVVWIZIVJRKX-UHFFFAOYSA-N 1 1 296.317 3.080 20 30 CGEDMO N#CC1(C[NH2+]Cc2cnc(C3CCC3)s2)CCC1 ZINC000418144733 267366767 /nfs/dbraw/zinc/36/67/67/267366767.db2.gz VCFBYLFSYYGAEW-UHFFFAOYSA-N 1 1 261.394 3.194 20 30 CGEDMO C=C(Br)C[NH+]1CCC(c2ccccn2)CC1 ZINC000371322775 267388660 /nfs/dbraw/zinc/38/86/60/267388660.db2.gz IIGNCTRGFDLQNF-UHFFFAOYSA-N 1 1 281.197 3.170 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]2C2CC2)cc1 ZINC000371419627 267403240 /nfs/dbraw/zinc/40/32/40/267403240.db2.gz NZQSIXMWKUHRML-SUMWQHHRSA-N 1 1 270.376 3.352 20 30 CGEDMO C=CC[C@H](C)[C@H](C)[NH2+]C1CC(N2CCCCC2)C1 ZINC000373494263 267682849 /nfs/dbraw/zinc/68/28/49/267682849.db2.gz JZCXDYUEJUTMOD-FXQLRMTLSA-N 1 1 250.430 3.194 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)Cc1cccc(C#N)c1 ZINC000123496068 268055982 /nfs/dbraw/zinc/05/59/82/268055982.db2.gz XJYKAOSFSHMQOH-UHFFFAOYSA-N 1 1 255.365 3.320 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)Cc1cccc(C#N)c1 ZINC000123496068 268055984 /nfs/dbraw/zinc/05/59/84/268055984.db2.gz XJYKAOSFSHMQOH-UHFFFAOYSA-N 1 1 255.365 3.320 20 30 CGEDMO CC(C)[N@@H+](CCCSCC#N)Cc1ccc(C#N)cc1 ZINC000074989445 269618017 /nfs/dbraw/zinc/61/80/17/269618017.db2.gz GZXJPQIRAFEEPZ-UHFFFAOYSA-N 1 1 287.432 3.416 20 30 CGEDMO CCC[N@@H+]1CCC[C@@H]1CN[C@H](C)c1ccc(C#N)cc1 ZINC000353974101 276009203 /nfs/dbraw/zinc/00/92/03/276009203.db2.gz RAJXWNMEIWOMAK-RHSMWYFYSA-N 1 1 271.408 3.083 20 30 CGEDMO CCC[N@H+]1CCC[C@@H]1CN[C@H](C)c1ccc(C#N)cc1 ZINC000353974101 276009204 /nfs/dbraw/zinc/00/92/04/276009204.db2.gz RAJXWNMEIWOMAK-RHSMWYFYSA-N 1 1 271.408 3.083 20 30 CGEDMO CC[N@H+]1CCCC[C@H]1CNc1cc(C(C)=O)ccc1C#N ZINC000302009428 276161337 /nfs/dbraw/zinc/16/13/37/276161337.db2.gz BUIURLALBULFJH-INIZCTEOSA-N 1 1 285.391 3.047 20 30 CGEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1(C)C ZINC000120625794 276364736 /nfs/dbraw/zinc/36/47/36/276364736.db2.gz FHKLLGNBKKNRLR-HOTGVXAUSA-N 1 1 272.392 3.194 20 30 CGEDMO Cc1nc(CCNC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)c(C)o1 ZINC000329036830 279082008 /nfs/dbraw/zinc/08/20/08/279082008.db2.gz RNHQONXZVUJVTK-TUAOUCFPSA-N 1 1 293.411 3.052 20 30 CGEDMO Cc1ccc2c(c1)CC[N@H+](Cc1ccc(C#N)cc1)C2 ZINC000361738020 281054478 /nfs/dbraw/zinc/05/44/78/281054478.db2.gz SAEVWQVYQLPAAE-UHFFFAOYSA-N 1 1 262.356 3.425 20 30 CGEDMO Cc1ccc2c(c1)C[N@@H+](Cc1cccc(C#N)c1)CCO2 ZINC000352814591 281071288 /nfs/dbraw/zinc/07/12/88/281071288.db2.gz IXONCNAKFABNTA-UHFFFAOYSA-N 1 1 278.355 3.261 20 30 CGEDMO Cc1ccc2c(c1)C[N@H+](Cc1cccc(C#N)c1)CCO2 ZINC000352814591 281071291 /nfs/dbraw/zinc/07/12/91/281071291.db2.gz IXONCNAKFABNTA-UHFFFAOYSA-N 1 1 278.355 3.261 20 30 CGEDMO CCCC[N@@H+](C)C[C@@H](C)Nc1cc(C(C)=O)ccc1C#N ZINC000556479999 289394370 /nfs/dbraw/zinc/39/43/70/289394370.db2.gz ISQBSOBJUTUWTN-CYBMUJFWSA-N 1 1 287.407 3.293 20 30 CGEDMO C[C@H]([NH2+][C@H](c1nccn1C)C1CC1)c1ccc(C#N)cc1 ZINC000353875003 290037879 /nfs/dbraw/zinc/03/78/79/290037879.db2.gz YTKWNGCKRPAPMU-LRDDRELGSA-N 1 1 280.375 3.094 20 30 CGEDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2c2ccc(C#N)c(Cl)c2)C1 ZINC000277034784 290182303 /nfs/dbraw/zinc/18/23/03/290182303.db2.gz OMBJMOHJSCNAGC-CZUORRHYSA-N 1 1 289.810 3.132 20 30 CGEDMO COc1cc(C)nc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425367505 533695901 /nfs/dbraw/zinc/69/59/01/533695901.db2.gz TULJUZRXPCKZCU-CQSZACIVSA-N 1 1 295.386 3.463 20 30 CGEDMO N#CCCC1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000563069648 327875040 /nfs/dbraw/zinc/87/50/40/327875040.db2.gz XTXMNUAOZBWIBO-UHFFFAOYSA-N 1 1 271.339 3.213 20 30 CGEDMO CC[C@@]1(C)COCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000534118571 328036155 /nfs/dbraw/zinc/03/61/55/328036155.db2.gz RHHGFJIVSPRQPK-SFHVURJKSA-N 1 1 286.419 3.489 20 30 CGEDMO COC[C@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411265321 328081236 /nfs/dbraw/zinc/08/12/36/328081236.db2.gz IZUCAAMBXJMXFA-HNNXBMFYSA-N 1 1 264.413 3.209 20 30 CGEDMO C[C@@H](C#N)C[N@H+](C)Cc1cccc(-c2ccccn2)c1 ZINC000271134810 328195163 /nfs/dbraw/zinc/19/51/63/328195163.db2.gz QTQUDYZWCVLGLA-AWEZNQCLSA-N 1 1 265.360 3.340 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C)Cc1cccc(-c2ccccn2)c1 ZINC000271134810 328195164 /nfs/dbraw/zinc/19/51/64/328195164.db2.gz QTQUDYZWCVLGLA-AWEZNQCLSA-N 1 1 265.360 3.340 20 30 CGEDMO CC1=CC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000271182970 328195744 /nfs/dbraw/zinc/19/57/44/328195744.db2.gz LSBVHXSKGOLFMQ-UHFFFAOYSA-N 1 1 269.392 3.188 20 30 CGEDMO C[N@H+](Cc1nc2c(s1)CCCC2)[C@H]1CC[C@H](C#N)C1 ZINC000278516883 328226170 /nfs/dbraw/zinc/22/61/70/328226170.db2.gz CBQVPGNKXRMLRC-RYUDHWBXSA-N 1 1 275.421 3.146 20 30 CGEDMO C[N@@H+](Cc1nc2c(s1)CCCC2)[C@H]1CC[C@H](C#N)C1 ZINC000278516883 328226172 /nfs/dbraw/zinc/22/61/72/328226172.db2.gz CBQVPGNKXRMLRC-RYUDHWBXSA-N 1 1 275.421 3.146 20 30 CGEDMO CC(C)c1ccc([C@@H]([NH3+])CNCc2cccc(C#N)c2)cc1 ZINC000565044706 322056654 /nfs/dbraw/zinc/05/66/54/322056654.db2.gz SAAYYQVTYWNPOF-IBGZPJMESA-N 1 1 293.414 3.471 20 30 CGEDMO CC[N@@H+](Cc1ccc(C)cc1)Cc1ccc(C#N)cn1 ZINC000567246687 322155837 /nfs/dbraw/zinc/15/58/37/322155837.db2.gz RFDCXPXQQMZPLQ-UHFFFAOYSA-N 1 1 265.360 3.284 20 30 CGEDMO C[C@H]1C[C@H](Nc2cccc(C(F)F)c2C#N)CC[N@H+]1C ZINC000569355188 322244827 /nfs/dbraw/zinc/24/48/27/322244827.db2.gz AQJZNKNOZDLZDM-WDEREUQCSA-N 1 1 279.334 3.390 20 30 CGEDMO Cc1ccnc([C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)c1 ZINC000570580559 322277026 /nfs/dbraw/zinc/27/70/26/322277026.db2.gz ZREGNPXKBNJHAL-QGZVFWFLSA-N 1 1 277.371 3.251 20 30 CGEDMO CC[C@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000571341003 322296310 /nfs/dbraw/zinc/29/63/10/322296310.db2.gz WIZUNXCBLKQMNF-GOEBONIOSA-N 1 1 257.381 3.354 20 30 CGEDMO C[C@H]1CCC[C@H](C)[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000571807580 322308344 /nfs/dbraw/zinc/30/83/44/322308344.db2.gz YIMLSRXHAOMSMY-STQMWFEESA-N 1 1 287.363 3.477 20 30 CGEDMO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccc(C#N)cn1 ZINC000572375017 322333951 /nfs/dbraw/zinc/33/39/51/322333951.db2.gz HSFALZLGLDKBFN-CYBMUJFWSA-N 1 1 281.359 3.121 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000573448749 322388456 /nfs/dbraw/zinc/38/84/56/322388456.db2.gz JWUMAEQUUAYKFR-KCXAZCMYSA-N 1 1 299.374 3.477 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1ncc(CSC)s1)C(C)(C)C ZINC000294021201 328546791 /nfs/dbraw/zinc/54/67/91/328546791.db2.gz UVRBYFBDVFIBFY-LLVKDONJSA-N 1 1 268.451 3.144 20 30 CGEDMO CC[C@@H](C[NH2+]CCC#N)Oc1cccc(Cl)c1 ZINC000564850297 327014989 /nfs/dbraw/zinc/01/49/89/327014989.db2.gz SBOUUXNZKIWQHC-LBPRGKRZSA-N 1 1 252.745 3.001 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H]1C[C@H]1C ZINC000584199492 327063306 /nfs/dbraw/zinc/06/33/06/327063306.db2.gz JZVDVYWDLGHVSG-ZBFHGGJFSA-N 1 1 261.413 3.498 20 30 CGEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@H]1CCSC1 ZINC000089937661 327175227 /nfs/dbraw/zinc/17/52/27/327175227.db2.gz QNYMTCLKGWMJMZ-AWEZNQCLSA-N 1 1 274.433 3.425 20 30 CGEDMO COc1ccc(CCC[N@@H+](C)CCCCC#N)cc1 ZINC000102397823 327226900 /nfs/dbraw/zinc/22/69/00/327226900.db2.gz JPLPGZHVZPPXPJ-UHFFFAOYSA-N 1 1 260.381 3.253 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)CCCO1 ZINC000559496875 327248947 /nfs/dbraw/zinc/24/89/47/327248947.db2.gz HGWZFTPYSJALCB-QGZVFWFLSA-N 1 1 291.822 3.438 20 30 CGEDMO CC[C@@H](C[NH2+]CCC#N)Oc1ccccc1C(F)(F)F ZINC000577504261 327263003 /nfs/dbraw/zinc/26/30/03/327263003.db2.gz YSKXJVWQCXYIKC-NSHDSACASA-N 1 1 286.297 3.366 20 30 CGEDMO C[C@@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)[C@@H]1C ZINC000566313219 327304202 /nfs/dbraw/zinc/30/42/02/327304202.db2.gz GXHKNYYCSUMNGV-VXGBXAGGSA-N 1 1 267.294 3.397 20 30 CGEDMO C=CC[N@H+](Cc1cnc(N(C)C)nc1)CC1CCCCC1 ZINC000560532692 327320447 /nfs/dbraw/zinc/32/04/47/327320447.db2.gz HDXYUOBTYQSNCR-UHFFFAOYSA-N 1 1 288.439 3.111 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000378277768 329044875 /nfs/dbraw/zinc/04/48/75/329044875.db2.gz PSXZQAQNCCHGFZ-QGZVFWFLSA-N 1 1 284.403 3.058 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000378277768 329044877 /nfs/dbraw/zinc/04/48/77/329044877.db2.gz PSXZQAQNCCHGFZ-QGZVFWFLSA-N 1 1 284.403 3.058 20 30 CGEDMO C=CCCCC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000175329251 329164807 /nfs/dbraw/zinc/16/48/07/329164807.db2.gz WBVASHKHOKTCMT-OAHLLOKOSA-N 1 1 266.429 3.114 20 30 CGEDMO C=CCc1cc(C[N@H+]2CCSC[C@H]2C)cc(OC)c1O ZINC000179662879 329210910 /nfs/dbraw/zinc/21/09/10/329210910.db2.gz YNFLDMAYXMTLPK-GFCCVEGCSA-N 1 1 293.432 3.067 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1c(C2CC2)nc2sccn12 ZINC000181050198 329225437 /nfs/dbraw/zinc/22/54/37/329225437.db2.gz RMUMQNOASOVHLC-UHFFFAOYSA-N 1 1 261.394 3.281 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000181303777 329230718 /nfs/dbraw/zinc/23/07/18/329230718.db2.gz DCCYCDLBDBJYPR-UHFFFAOYSA-N 1 1 286.419 3.321 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000181331848 329231696 /nfs/dbraw/zinc/23/16/96/329231696.db2.gz NJLDGLFABXCDPJ-SNVBAGLBSA-N 1 1 290.436 3.459 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000181331848 329231697 /nfs/dbraw/zinc/23/16/97/329231697.db2.gz NJLDGLFABXCDPJ-SNVBAGLBSA-N 1 1 290.436 3.459 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)C[C@H]1CCC(C)(C)O1 ZINC000187114114 329353221 /nfs/dbraw/zinc/35/32/21/329353221.db2.gz WUGHBJJXQPBZFX-CQSZACIVSA-N 1 1 252.402 3.206 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)C[C@H]1CCC(C)(C)O1 ZINC000187114114 329353223 /nfs/dbraw/zinc/35/32/23/329353223.db2.gz WUGHBJJXQPBZFX-CQSZACIVSA-N 1 1 252.402 3.206 20 30 CGEDMO C=C(C)[C@H]([NH2+][C@@H](C)C(=O)NCCC)c1ccc(F)c(F)c1 ZINC000187762992 329360421 /nfs/dbraw/zinc/36/04/21/329360421.db2.gz MLGKDDKVBUQBJL-NHYWBVRUSA-N 1 1 296.361 3.086 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(OC(F)F)c(OC)c1 ZINC000265764603 330063291 /nfs/dbraw/zinc/06/32/91/330063291.db2.gz BOKXUIWHWCURHZ-UHFFFAOYSA-N 1 1 271.307 3.305 20 30 CGEDMO C=CC[N@@H+](CCCOC(C)C)CCc1ccco1 ZINC000272342298 330085520 /nfs/dbraw/zinc/08/55/20/330085520.db2.gz YYPGREANKLANCX-UHFFFAOYSA-N 1 1 251.370 3.125 20 30 CGEDMO C=CCn1cc(C[NH2+][C@@H](CCC)c2ccccc2)nn1 ZINC000424294309 330335606 /nfs/dbraw/zinc/33/56/06/330335606.db2.gz KNKRYVRSQRNHLH-INIZCTEOSA-N 1 1 270.380 3.095 20 30 CGEDMO C=CCn1cc(C[NH2+][C@@H](C)c2cccc(C3CC3)c2)nn1 ZINC000424298705 330336672 /nfs/dbraw/zinc/33/66/72/330336672.db2.gz TTWUNNZFXDUBGL-ZDUSSCGKSA-N 1 1 282.391 3.192 20 30 CGEDMO CC(=O)c1ccc(C#N)cc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC000580498316 330350983 /nfs/dbraw/zinc/35/09/83/330350983.db2.gz IPRVJEJHPOVCJV-UHFFFAOYSA-N 1 1 299.418 3.071 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000533148478 330351217 /nfs/dbraw/zinc/35/12/17/330351217.db2.gz OZOVXYXYSHUXJR-CQSZACIVSA-N 1 1 277.795 3.454 20 30 CGEDMO C=CCCCN(C)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000125334225 330397515 /nfs/dbraw/zinc/39/75/15/330397515.db2.gz LGDWAGBDDNIYHO-MRXNPFEDSA-N 1 1 295.471 3.106 20 30 CGEDMO C=CCC[C@H]([NH2+][C@@H](C)C1CCSCC1)C(=O)OCC ZINC000449654617 330942139 /nfs/dbraw/zinc/94/21/39/330942139.db2.gz FEFULEDMABGZPX-JSGCOSHPSA-N 1 1 285.453 3.006 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H](O)CCC ZINC000450984722 331010123 /nfs/dbraw/zinc/01/01/23/331010123.db2.gz XOBDMZJBMIAXJG-INIZCTEOSA-N 1 1 279.428 3.003 20 30 CGEDMO CCO[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1C ZINC000451526838 331032573 /nfs/dbraw/zinc/03/25/73/331032573.db2.gz HBZILEHACDMTFF-YOEHRIQHSA-N 1 1 291.822 3.438 20 30 CGEDMO CO[C@H]1CC[N@@H+](CCCCC(C)(C)C#N)CC1(C)C ZINC000451556673 331034343 /nfs/dbraw/zinc/03/43/43/331034343.db2.gz NCZJNKBTTQQBOF-AWEZNQCLSA-N 1 1 266.429 3.453 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCSC[C@@H]2C2CC2)cc1 ZINC000451657177 331038011 /nfs/dbraw/zinc/03/80/11/331038011.db2.gz VUTBALKPDMPZON-MRXNPFEDSA-N 1 1 272.417 3.080 20 30 CGEDMO C=CCOCC[N@H+](C)[C@H]1C[C@H](c2cccc(OC)c2)C1 ZINC000452014673 331050425 /nfs/dbraw/zinc/05/04/25/331050425.db2.gz IHAILWWBKQXSBF-WKILWMFISA-N 1 1 275.392 3.076 20 30 CGEDMO N#C[C@@H]1CCC[C@H]([N@H+]2CCC[C@]3(CCSC3)C2)C1 ZINC000453375860 331124839 /nfs/dbraw/zinc/12/48/39/331124839.db2.gz ULTKCRGCCSSRDB-ILXRZTDVSA-N 1 1 264.438 3.288 20 30 CGEDMO C=CC(C)(C)CNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000454337621 331144374 /nfs/dbraw/zinc/14/43/74/331144374.db2.gz VZEYMNWURZCJFA-OAHLLOKOSA-N 1 1 295.471 3.152 20 30 CGEDMO C=CC(C)(C)CNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000454337619 331144380 /nfs/dbraw/zinc/14/43/80/331144380.db2.gz VZEYMNWURZCJFA-HNNXBMFYSA-N 1 1 295.471 3.152 20 30 CGEDMO C=CCC1(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CCCCC1 ZINC000458440741 331251423 /nfs/dbraw/zinc/25/14/23/331251423.db2.gz MYJQVNUKDXFEHB-HUUCEWRRSA-N 1 1 293.455 3.047 20 30 CGEDMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)CC1(C#N)CCC1 ZINC000459774127 331300115 /nfs/dbraw/zinc/30/01/15/331300115.db2.gz WHHABXTXVDEWMU-CYBMUJFWSA-N 1 1 260.356 3.382 20 30 CGEDMO CC#CCC[N@@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000462318918 331319412 /nfs/dbraw/zinc/31/94/12/331319412.db2.gz FXBOGMPACRXVQP-AEFFLSMTSA-N 1 1 271.404 3.479 20 30 CGEDMO CC#CCC[N@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000462318918 331319413 /nfs/dbraw/zinc/31/94/13/331319413.db2.gz FXBOGMPACRXVQP-AEFFLSMTSA-N 1 1 271.404 3.479 20 30 CGEDMO CC#CCCCC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000464434589 331360473 /nfs/dbraw/zinc/36/04/73/331360473.db2.gz ALPMNDJMOXPMDE-FUHWJXTLSA-N 1 1 298.430 3.132 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC ZINC000488972800 332036215 /nfs/dbraw/zinc/03/62/15/332036215.db2.gz FBZOJEPFCPRJOQ-KKUMJFAQSA-N 1 1 265.397 3.006 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1C ZINC000489430037 332051464 /nfs/dbraw/zinc/05/14/64/332051464.db2.gz CNONPTMBCXKELT-OAHLLOKOSA-N 1 1 272.392 3.364 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1 ZINC000489440433 332052798 /nfs/dbraw/zinc/05/27/98/332052798.db2.gz PELXOSJCAFTASK-HNNXBMFYSA-N 1 1 258.365 3.056 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CCc1ccc2c(c1)OCCO2 ZINC000489483917 332055499 /nfs/dbraw/zinc/05/54/99/332055499.db2.gz FSBDOBLFKUMVJF-HNNXBMFYSA-N 1 1 273.376 3.041 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1 ZINC000489492178 332056283 /nfs/dbraw/zinc/05/62/83/332056283.db2.gz CZFKKAUMDCDVFV-HUUCEWRRSA-N 1 1 295.810 3.120 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H]1CCO[C@@H](C)C1 ZINC000491115330 332151183 /nfs/dbraw/zinc/15/11/83/332151183.db2.gz RLEWIYWWDMLLEK-RDJZCZTQSA-N 1 1 289.419 3.498 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000491304204 332185863 /nfs/dbraw/zinc/18/58/63/332185863.db2.gz DXFXKOXQHXMDGR-JTQLQIEISA-N 1 1 266.266 3.031 20 30 CGEDMO C#C[C@H]([NH2+]CC1=CCCOC1)c1ccc(Cl)cc1F ZINC000491506456 332225273 /nfs/dbraw/zinc/22/52/73/332225273.db2.gz QBJIAFAHYRYMIK-HNNXBMFYSA-N 1 1 279.742 3.090 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1ccc(OC(F)F)c(OC)c1 ZINC000491615164 332242829 /nfs/dbraw/zinc/24/28/29/332242829.db2.gz BPDKYCLYRDQZPU-UHFFFAOYSA-N 1 1 283.318 3.140 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1ccc(OC)c(F)c1)c1ccc(F)cc1 ZINC000491620254 332246167 /nfs/dbraw/zinc/24/61/67/332246167.db2.gz NFCMKGWAGKRYFI-MRXNPFEDSA-N 1 1 287.309 3.438 20 30 CGEDMO C#CC[N@@H+](CCC(C)(F)F)Cc1ccc(F)cc1 ZINC000491714359 332304964 /nfs/dbraw/zinc/30/49/64/332304964.db2.gz MMNRGUNVTOFNHI-UHFFFAOYSA-N 1 1 255.283 3.306 20 30 CGEDMO C#CC[N@H+](CCC(C)(F)F)Cc1ccc(F)cc1 ZINC000491714359 332304965 /nfs/dbraw/zinc/30/49/65/332304965.db2.gz MMNRGUNVTOFNHI-UHFFFAOYSA-N 1 1 255.283 3.306 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C#N)cn1)[C@H]1CCc2ccccc21 ZINC000491730913 332312733 /nfs/dbraw/zinc/31/27/33/332312733.db2.gz AAWIYSDQZSUQQG-IBGZPJMESA-N 1 1 287.366 3.076 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(C#N)cn1)[C@H]1CCc2ccccc21 ZINC000491730913 332312734 /nfs/dbraw/zinc/31/27/34/332312734.db2.gz AAWIYSDQZSUQQG-IBGZPJMESA-N 1 1 287.366 3.076 20 30 CGEDMO C#CC[N@@H+](Cc1cnc(CC)nc1)[C@H]1CCc2ccccc21 ZINC000491795979 332354949 /nfs/dbraw/zinc/35/49/49/332354949.db2.gz YFUNWFBXWMZJAN-SFHVURJKSA-N 1 1 291.398 3.162 20 30 CGEDMO C#CC[N@H+](Cc1cnc(CC)nc1)[C@H]1CCc2ccccc21 ZINC000491795979 332354950 /nfs/dbraw/zinc/35/49/50/332354950.db2.gz YFUNWFBXWMZJAN-SFHVURJKSA-N 1 1 291.398 3.162 20 30 CGEDMO COc1ccccc1CC[N@@H+](C)CC#Cc1ccccc1 ZINC000191996068 333228212 /nfs/dbraw/zinc/22/82/12/333228212.db2.gz VXTFHUMJECJURC-UHFFFAOYSA-N 1 1 279.383 3.221 20 30 CGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)C[C@H](C)CC ZINC000523606610 333333914 /nfs/dbraw/zinc/33/39/14/333333914.db2.gz HLLDEDFSUBMGTG-WBVHZDCISA-N 1 1 291.435 3.133 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CC[C@@H](c3ccncc3)C2)cc1 ZINC000576050251 335146303 /nfs/dbraw/zinc/14/63/03/335146303.db2.gz BPULJGTZHREVNN-GOSISDBHSA-N 1 1 277.371 3.137 20 30 CGEDMO CCCCc1noc([C@@H](C)[NH+]2CCC(CC#N)CC2)n1 ZINC000543806242 333900686 /nfs/dbraw/zinc/90/06/86/333900686.db2.gz ACCSFCDLRVJFKF-GFCCVEGCSA-N 1 1 276.384 3.099 20 30 CGEDMO CC#CCC[N@H+](C)Cc1ccc(OC(F)F)c(OC)c1 ZINC000547317798 334078766 /nfs/dbraw/zinc/07/87/66/334078766.db2.gz NZHPOZPMGZWQPU-UHFFFAOYSA-N 1 1 283.318 3.142 20 30 CGEDMO C=CCOCC[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000549414145 334193377 /nfs/dbraw/zinc/19/33/77/334193377.db2.gz VEPJIULWHGNYSR-KRWDZBQOSA-N 1 1 259.393 3.144 20 30 CGEDMO C=CCOCC[N@@H+]1CC[C@H](c2ccc(C)cc2C)C1 ZINC000549613222 334199652 /nfs/dbraw/zinc/19/96/52/334199652.db2.gz DUCHYWLOBFGCEM-INIZCTEOSA-N 1 1 259.393 3.295 20 30 CGEDMO C=CCOCC[N@@H+](C)CCCOc1ccc(Cl)cc1 ZINC000549770700 334204529 /nfs/dbraw/zinc/20/45/29/334204529.db2.gz YRVSPDWXKKIAFS-UHFFFAOYSA-N 1 1 283.799 3.243 20 30 CGEDMO C=C(C)C[N@@H+]1CCc2cc(OC)c(Cl)cc2C1 ZINC000550112980 334213528 /nfs/dbraw/zinc/21/35/28/334213528.db2.gz YUGSELSYGNSDKQ-UHFFFAOYSA-N 1 1 251.757 3.283 20 30 CGEDMO C=C(C)C[N@H+]1CCc2cc(OC)c(Cl)cc2C1 ZINC000550112980 334213530 /nfs/dbraw/zinc/21/35/30/334213530.db2.gz YUGSELSYGNSDKQ-UHFFFAOYSA-N 1 1 251.757 3.283 20 30 CGEDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC(C)(C)C#N ZINC000552315354 334315961 /nfs/dbraw/zinc/31/59/61/334315961.db2.gz NEFOEOOLXXWXJE-JYRVWZFOSA-N 1 1 287.363 3.480 20 30 CGEDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC(C)(C)C#N ZINC000552315354 334315963 /nfs/dbraw/zinc/31/59/63/334315963.db2.gz NEFOEOOLXXWXJE-JYRVWZFOSA-N 1 1 287.363 3.480 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cc1 ZINC000552424351 334326300 /nfs/dbraw/zinc/32/63/00/334326300.db2.gz XPHWNIRKOIUYBR-RTBURBONSA-N 1 1 299.414 3.395 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cc1 ZINC000552424351 334326301 /nfs/dbraw/zinc/32/63/01/334326301.db2.gz XPHWNIRKOIUYBR-RTBURBONSA-N 1 1 299.414 3.395 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000552811494 334345913 /nfs/dbraw/zinc/34/59/13/334345913.db2.gz HZQONHQRPLBBAL-FZMZJTMJSA-N 1 1 289.379 3.396 20 30 CGEDMO Cc1cccc(NC(=O)C[NH+]2CCC(CCC#N)CC2)c1C ZINC000564916383 334527832 /nfs/dbraw/zinc/52/78/32/334527832.db2.gz MWAGNZKPXVOOHX-UHFFFAOYSA-N 1 1 299.418 3.258 20 30 CGEDMO CO[C@H](C[NH2+]C[C@H](C#N)CCC#N)c1cccc(Cl)c1 ZINC000565593448 334576990 /nfs/dbraw/zinc/57/69/90/334576990.db2.gz GQYRSOUTRPIIAA-SWLSCSKDSA-N 1 1 291.782 3.061 20 30 CGEDMO CC(C)COc1ccc(C[NH2+]CC2(C#N)CC2)cc1 ZINC000566046137 334618297 /nfs/dbraw/zinc/61/82/97/334618297.db2.gz HHSYKNXAAKACDJ-UHFFFAOYSA-N 1 1 258.365 3.115 20 30 CGEDMO C[N@@H+](Cc1cccs1)Cc1ccc(CC#N)cc1 ZINC000342710871 335185916 /nfs/dbraw/zinc/18/59/16/335185916.db2.gz PJZCUWYUGLYEIX-UHFFFAOYSA-N 1 1 256.374 3.446 20 30 CGEDMO C=CCCCC[N@@H+]1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000576766059 335245716 /nfs/dbraw/zinc/24/57/16/335245716.db2.gz MQOLBPZGYUZJBS-HNNXBMFYSA-N 1 1 261.413 3.202 20 30 CGEDMO C=C(C)[C@H]1OCC[C@H]1CNc1[nH+]ccc2cc(F)ccc21 ZINC000576938315 335266326 /nfs/dbraw/zinc/26/63/26/335266326.db2.gz AHWVPKDLEFWJKD-XJKSGUPXSA-N 1 1 286.350 3.189 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@@H]2c2ccccn2)ccc1C#N ZINC000577455491 335354098 /nfs/dbraw/zinc/35/40/98/335354098.db2.gz HMOIMRMNCMHFQH-QGZVFWFLSA-N 1 1 293.370 3.299 20 30 CGEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1c(C#N)cccc1C#N ZINC000436383894 533827753 /nfs/dbraw/zinc/82/77/53/533827753.db2.gz DNROYCMVPJBMBO-OKILXGFUSA-N 1 1 282.391 3.105 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CC[C@@H](C)O1 ZINC000425530635 534081417 /nfs/dbraw/zinc/08/14/17/534081417.db2.gz FRYABANZLPQYTF-WWGRRREGSA-N 1 1 258.365 3.119 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)n1 ZINC000356095200 534829357 /nfs/dbraw/zinc/82/93/57/534829357.db2.gz XQWMFASQZPOQCN-AWEZNQCLSA-N 1 1 283.400 3.079 20 30 CGEDMO N#Cc1csc(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)n1 ZINC000356095200 534829363 /nfs/dbraw/zinc/82/93/63/534829363.db2.gz XQWMFASQZPOQCN-AWEZNQCLSA-N 1 1 283.400 3.079 20 30 CGEDMO C[C@@H](c1ccco1)[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000069070387 526134439 /nfs/dbraw/zinc/13/44/39/526134439.db2.gz YEVMYMYSSNPISH-ZDUSSCGKSA-N 1 1 297.358 3.173 20 30 CGEDMO C=C(C)CN(Cc1ccccc1)C(=O)C[N@H+](CC)C1CC1 ZINC000347878679 526564079 /nfs/dbraw/zinc/56/40/79/526564079.db2.gz RCBBJDZTIZYAOQ-UHFFFAOYSA-N 1 1 286.419 3.076 20 30 CGEDMO C=CCOCCC[NH+](Cc1ccco1)Cc1ccco1 ZINC000347963322 526748871 /nfs/dbraw/zinc/74/88/71/526748871.db2.gz COVWOYILWXVZBK-UHFFFAOYSA-N 1 1 275.348 3.468 20 30 CGEDMO C=CCOCCC[N@@H+]1CCC[C@@H](c2nc(CC)cs2)C1 ZINC000347967646 526751758 /nfs/dbraw/zinc/75/17/58/526751758.db2.gz PXRABBZGRFYWJV-CQSZACIVSA-N 1 1 294.464 3.478 20 30 CGEDMO C=CCOCCC[N@@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000347969434 526758907 /nfs/dbraw/zinc/75/89/07/526758907.db2.gz LTGHFURGIVOZJG-NVXWUHKLSA-N 1 1 275.392 3.041 20 30 CGEDMO C=C(C)[C@H]([NH2+]Cc1cc(C)nn1C)c1ccc(F)c(F)c1 ZINC000418007148 526820141 /nfs/dbraw/zinc/82/01/41/526820141.db2.gz NAPQCZXVCLIYSQ-INIZCTEOSA-N 1 1 291.345 3.414 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)Cc2ccoc2)cc1OC ZINC000352649646 526860956 /nfs/dbraw/zinc/86/09/56/526860956.db2.gz MJAJKMRYOBIZKA-UHFFFAOYSA-N 1 1 287.359 3.485 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)Cc2ccoc2)cc1OC ZINC000352649646 526860962 /nfs/dbraw/zinc/86/09/62/526860962.db2.gz MJAJKMRYOBIZKA-UHFFFAOYSA-N 1 1 287.359 3.485 20 30 CGEDMO C=CCOc1ccc(C[NH2+][C@@H](CC)c2nccn2C)cc1 ZINC000353858779 526886874 /nfs/dbraw/zinc/88/68/74/526886874.db2.gz UWWHUSQFVCEYCD-INIZCTEOSA-N 1 1 285.391 3.226 20 30 CGEDMO C=CCC(C)(C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000352526317 527013023 /nfs/dbraw/zinc/01/30/23/527013023.db2.gz MMTXLKOSXGGSMD-HNNXBMFYSA-N 1 1 274.408 3.008 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCCC3(CC3)C2)c1C ZINC000352264843 527294080 /nfs/dbraw/zinc/29/40/80/527294080.db2.gz FHWUPEGSYXXPAD-UHFFFAOYSA-N 1 1 286.419 3.350 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CCCC3(CC3)C2)c1C ZINC000352264843 527294086 /nfs/dbraw/zinc/29/40/86/527294086.db2.gz FHWUPEGSYXXPAD-UHFFFAOYSA-N 1 1 286.419 3.350 20 30 CGEDMO CC(C)([NH2+]Cc1cc(C#N)cs1)c1nccs1 ZINC000177702787 527294502 /nfs/dbraw/zinc/29/45/02/527294502.db2.gz LPKGBEBXBMENDO-UHFFFAOYSA-N 1 1 263.391 3.101 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccnn1-c1ccccc1C ZINC000354923717 527322690 /nfs/dbraw/zinc/32/26/90/527322690.db2.gz NKNZAUZIIZDQOK-UHFFFAOYSA-N 1 1 255.365 3.189 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)CC[C@H]1CCCCO1 ZINC000347431085 527681000 /nfs/dbraw/zinc/68/10/00/527681000.db2.gz CZUQMYRBRBUMJJ-CQSZACIVSA-N 1 1 252.402 3.207 20 30 CGEDMO CCC[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437432448 527853146 /nfs/dbraw/zinc/85/31/46/527853146.db2.gz HEKRULPMHUOPKZ-UHFFFAOYSA-N 1 1 254.280 3.001 20 30 CGEDMO CCC[N@@H+](CC[C@H]1CCOC1)Cc1ccc(C#N)cc1 ZINC000437589078 528102628 /nfs/dbraw/zinc/10/26/28/528102628.db2.gz JVQGCXGTTKOWJU-KRWDZBQOSA-N 1 1 272.392 3.197 20 30 CGEDMO CC[N@@H+](CC[C@@H]1CCOC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000437577390 528584994 /nfs/dbraw/zinc/58/49/94/528584994.db2.gz JWOOYGCTUZZXBD-GOEBONIOSA-N 1 1 272.392 3.368 20 30 CGEDMO CC(C)C[C@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000356107373 528587203 /nfs/dbraw/zinc/58/72/03/528587203.db2.gz GVBKWIXEMZCFFA-GFCCVEGCSA-N 1 1 263.410 3.273 20 30 CGEDMO CC(C)C[C@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000356107373 528587207 /nfs/dbraw/zinc/58/72/07/528587207.db2.gz GVBKWIXEMZCFFA-GFCCVEGCSA-N 1 1 263.410 3.273 20 30 CGEDMO CCOC(=O)CC(C)(C)CC[N@H+](CC#N)C1CCCC1 ZINC000347048002 528662074 /nfs/dbraw/zinc/66/20/74/528662074.db2.gz HKUDBHMFRJIRBM-UHFFFAOYSA-N 1 1 280.412 3.124 20 30 CGEDMO CCOC(=O)CC(C)(C)CC[N@@H+](CC#N)C1CCCC1 ZINC000347048002 528662082 /nfs/dbraw/zinc/66/20/82/528662082.db2.gz HKUDBHMFRJIRBM-UHFFFAOYSA-N 1 1 280.412 3.124 20 30 CGEDMO CC[N@@H+](Cc1occc1C)Cc1ccc(OC)c(C#N)c1 ZINC000412031052 528918184 /nfs/dbraw/zinc/91/81/84/528918184.db2.gz XHTOOZUWYQKASX-UHFFFAOYSA-N 1 1 284.359 3.490 20 30 CGEDMO CCn1ccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)n1 ZINC000414203225 529175213 /nfs/dbraw/zinc/17/52/13/529175213.db2.gz DRHRYJNUYWZNDE-SFHVURJKSA-N 1 1 294.402 3.332 20 30 CGEDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000439440831 529235977 /nfs/dbraw/zinc/23/59/77/529235977.db2.gz QTMOYQQRFJVRTK-JKSUJKDBSA-N 1 1 292.810 3.337 20 30 CGEDMO CCO[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@H]1C ZINC000451527379 535632007 /nfs/dbraw/zinc/63/20/07/535632007.db2.gz HIDYIVRJOSNRHF-WBMJQRKESA-N 1 1 292.810 3.459 20 30 CGEDMO CCO[C@H]1CC[N@@H+](Cc2cn3ccccc3c2C#N)C[C@H]1C ZINC000451523031 535633048 /nfs/dbraw/zinc/63/30/48/535633048.db2.gz IRVFYQSGDPXLBS-KDOFPFPSSA-N 1 1 297.402 3.058 20 30 CGEDMO Fc1cccc(N2CCCC2)c1C=[NH+]NC1CCCC1 ZINC000727652397 571760272 /nfs/dbraw/zinc/76/02/72/571760272.db2.gz OQNJIJMBTLOKFZ-UHFFFAOYSA-N 1 1 275.371 3.292 20 30 CGEDMO CCCCCCCC(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000727807057 571770464 /nfs/dbraw/zinc/77/04/64/571770464.db2.gz RKEWBUXNKDXTOX-UHFFFAOYSA-N 1 1 268.445 3.290 20 30 CGEDMO CC[N@@H+](Cc1ccoc1)Cc1ccc(OCC#N)cc1 ZINC000731212457 572402272 /nfs/dbraw/zinc/40/22/72/572402272.db2.gz NDSOCXSUMCUQTF-UHFFFAOYSA-N 1 1 270.332 3.204 20 30 CGEDMO C[Si](C)(C)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000731212130 572402374 /nfs/dbraw/zinc/40/23/74/572402374.db2.gz VAUGXVIVAYKTSG-UHFFFAOYSA-N 1 1 258.441 3.400 20 30 CGEDMO C#CC[N@@H+](C)CCCCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000731665836 572420024 /nfs/dbraw/zinc/42/00/24/572420024.db2.gz HZDZWOBPOCTTHG-UHFFFAOYSA-N 1 1 299.393 3.494 20 30 CGEDMO C=CCCOC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000741331944 572493200 /nfs/dbraw/zinc/49/32/00/572493200.db2.gz WAYKYQYEVSANOY-HNNXBMFYSA-N 1 1 291.366 3.157 20 30 CGEDMO C[C@@H]1CC(N=Nc2ncc(Cl)cc2Cl)CC[N@H+]1C ZINC000741458736 572499582 /nfs/dbraw/zinc/49/95/82/572499582.db2.gz XVOJZZSSECFMBN-MRVPVSSYSA-N 1 1 287.194 3.270 20 30 CGEDMO N#Cc1ccc(NCCNc2cc[nH+]c3ccsc32)nc1 ZINC000742391574 572576381 /nfs/dbraw/zinc/57/63/81/572576381.db2.gz MXLVOPYKNUYEEE-UHFFFAOYSA-N 1 1 295.371 3.087 20 30 CGEDMO CCCCCCCC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000734447846 572657355 /nfs/dbraw/zinc/65/73/55/572657355.db2.gz VWQSUITZQOWLBS-HNNXBMFYSA-N 1 1 268.445 3.147 20 30 CGEDMO C#CC[N@@H+](CN1C[C@H](CC(C)C)CC1=O)C1CCCCC1 ZINC000744433126 572752431 /nfs/dbraw/zinc/75/24/31/572752431.db2.gz GRILYNXECPKNNB-MRXNPFEDSA-N 1 1 290.451 3.106 20 30 CGEDMO C#CC[N@H+](CN1C[C@H](CC(C)C)CC1=O)C1CCCCC1 ZINC000744433126 572752434 /nfs/dbraw/zinc/75/24/34/572752434.db2.gz GRILYNXECPKNNB-MRXNPFEDSA-N 1 1 290.451 3.106 20 30 CGEDMO C=CC[N@H+](Cc1cc(OC)c(OC)c(OC)c1)C(C)C ZINC000746147146 572857288 /nfs/dbraw/zinc/85/72/88/572857288.db2.gz JOXZNYSSXVEOIJ-UHFFFAOYSA-N 1 1 279.380 3.109 20 30 CGEDMO CCCCCCCCCC[N@H+]1CCn2cnnc2C1 ZINC000746666381 572889813 /nfs/dbraw/zinc/88/98/13/572889813.db2.gz PBMFKHIXDDAXGZ-UHFFFAOYSA-N 1 1 264.417 3.234 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](O)c1ccc(F)cc1C ZINC000746675239 572891845 /nfs/dbraw/zinc/89/18/45/572891845.db2.gz RIVLKEIVQJFPSM-OAHLLOKOSA-N 1 1 251.345 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000747790830 572949645 /nfs/dbraw/zinc/94/96/45/572949645.db2.gz QGOSMPDNOOIDEM-LSDHHAIUSA-N 1 1 265.784 3.327 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000747790830 572949648 /nfs/dbraw/zinc/94/96/48/572949648.db2.gz QGOSMPDNOOIDEM-LSDHHAIUSA-N 1 1 265.784 3.327 20 30 CGEDMO C=CCN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C(C)C ZINC000749379501 572995595 /nfs/dbraw/zinc/99/55/95/572995595.db2.gz OUSGDVIIVBYIQV-HNNXBMFYSA-N 1 1 278.440 3.064 20 30 CGEDMO CCC1C[NH+](Cc2cc(C#N)ccc2Br)C1 ZINC000894813016 619641818 /nfs/dbraw/zinc/64/18/18/619641818.db2.gz LAQBRGXGJSNFQE-UHFFFAOYSA-N 1 1 279.181 3.163 20 30 CGEDMO C=C(C)CC[NH+]1CC(N(CC)C(=O)c2c(C)coc2C)C1 ZINC000950008243 613246407 /nfs/dbraw/zinc/24/64/07/613246407.db2.gz ZOXIFUHQIGHLBZ-UHFFFAOYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)C=C2CCC2)CC1 ZINC000948290335 613256307 /nfs/dbraw/zinc/25/63/07/613256307.db2.gz LRJQUANBVYBZSU-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)C2(C)CC2)CC1 ZINC000948396432 613256637 /nfs/dbraw/zinc/25/66/37/613256637.db2.gz AIRCTAUUTMJOFE-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2CCCCC2)C1 ZINC000964748004 613264751 /nfs/dbraw/zinc/26/47/51/613264751.db2.gz WYJDJPLAHNCRNK-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2CCCCC2)[C@@H](C)C1 ZINC000941759766 613270983 /nfs/dbraw/zinc/27/09/83/613270983.db2.gz FKMYIEKWKBKBOT-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC000971563963 613285205 /nfs/dbraw/zinc/28/52/05/613285205.db2.gz QVUKGTNRXMZCOF-ARFHVFGLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(C)cc2C)C1 ZINC000980305956 613286510 /nfs/dbraw/zinc/28/65/10/613286510.db2.gz XVKXGSUDXMAUDF-MRXNPFEDSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC2(C)C)CC1 ZINC000948684201 613314107 /nfs/dbraw/zinc/31/41/07/613314107.db2.gz JCEVWDDZUGGTJM-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)c2ccoc2C)CC1 ZINC000948170140 613315165 /nfs/dbraw/zinc/31/51/65/613315165.db2.gz ZWLOPEOWLDOHEG-HNNXBMFYSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(C)cc2)C1 ZINC000968578252 613326200 /nfs/dbraw/zinc/32/62/00/613326200.db2.gz CPDJTAKLSHXRJK-NVXWUHKLSA-N 1 1 286.419 3.011 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2(C)CCCCC2)[C@@H](C)C1 ZINC000942598348 613326799 /nfs/dbraw/zinc/32/67/99/613326799.db2.gz WBKRUYMMUQBKME-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CC2CCCC2)C[C@H]1C ZINC000947000244 613327552 /nfs/dbraw/zinc/32/75/52/613327552.db2.gz GMUGHGKNDQWNRH-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C=C2CCCCC2)C1 ZINC000965450505 613332453 /nfs/dbraw/zinc/33/24/53/613332453.db2.gz QIBOROHTNHHIHA-RDJZCZTQSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C)cc2)C[C@@H]1C ZINC000947972009 613336137 /nfs/dbraw/zinc/33/61/37/613336137.db2.gz XEHPFUZXENJHCI-RDJZCZTQSA-N 1 1 286.419 3.154 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2sccc2F)C[C@@H]1C ZINC000947252532 613337324 /nfs/dbraw/zinc/33/73/24/613337324.db2.gz DCWRUULVUOPAQN-RYUDHWBXSA-N 1 1 296.411 3.046 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)C2=CCCCCC2)C(C)(C)C1 ZINC000974491305 613341149 /nfs/dbraw/zinc/34/11/49/613341149.db2.gz JTXUBZZJWOYLBX-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C(C)(C)C1 ZINC000975059956 613341846 /nfs/dbraw/zinc/34/18/46/613341846.db2.gz XYRXNCFKXVTHPD-OAGGEKHMSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC000972757024 613370228 /nfs/dbraw/zinc/37/02/28/613370228.db2.gz RUMZYMCRTMMCTA-QEJZJMRPSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC000972757024 613370229 /nfs/dbraw/zinc/37/02/29/613370229.db2.gz RUMZYMCRTMMCTA-QEJZJMRPSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C1=CCCC1 ZINC000968811976 613372827 /nfs/dbraw/zinc/37/28/27/613372827.db2.gz HJAOHSAOUHCFIH-OAHLLOKOSA-N 1 1 296.842 3.210 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)C1=CCCC1 ZINC000968811976 613372828 /nfs/dbraw/zinc/37/28/28/613372828.db2.gz HJAOHSAOUHCFIH-OAHLLOKOSA-N 1 1 296.842 3.210 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H](C)C2CC2)CC1 ZINC000948274913 613374229 /nfs/dbraw/zinc/37/42/29/613374229.db2.gz ZYXOUBGOSFEGJB-DZGCQCFKSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(C)CCCC2)[C@H](C)C1 ZINC000942541057 613376111 /nfs/dbraw/zinc/37/61/11/613376111.db2.gz UNXSASDPJIRRSK-TZMCWYRMSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(C)CCCC2)[C@H](C)C1 ZINC000942541057 613376112 /nfs/dbraw/zinc/37/61/12/613376112.db2.gz UNXSASDPJIRRSK-TZMCWYRMSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](C/C=C\Cl)[C@H](C)C2)C1 ZINC000947701371 613396553 /nfs/dbraw/zinc/39/65/53/613396553.db2.gz AJZRDPLTZHVTLQ-GNXSNYGWSA-N 1 1 296.842 3.064 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](C/C=C/Cl)[C@@H](C)C2)C1 ZINC000947701370 613396764 /nfs/dbraw/zinc/39/67/64/613396764.db2.gz AJZRDPLTZHVTLQ-CNPQOGTOSA-N 1 1 296.842 3.064 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](CC=C(C)C)C[C@@H]2C)C1 ZINC000942607454 613397347 /nfs/dbraw/zinc/39/73/47/613397347.db2.gz FWUDVOIXQJGIJV-JKSUJKDBSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](CCCC)C[C@H]2C)CC1 ZINC000942599715 613410070 /nfs/dbraw/zinc/41/00/70/613410070.db2.gz DAFLJEGGLDCMLY-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](CC(C)C)CC[C@H]2C)CC1 ZINC000968153779 613410658 /nfs/dbraw/zinc/41/06/58/613410658.db2.gz MMDHYGFTOTYSIZ-NVXWUHKLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)c2cc(C)sc2C)C1 ZINC000950793433 613479777 /nfs/dbraw/zinc/47/97/77/613479777.db2.gz DJYNPFQZVJADKY-UHFFFAOYSA-N 1 1 292.448 3.087 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)c2cocc2C)CC1 ZINC000948688955 613501739 /nfs/dbraw/zinc/50/17/39/613501739.db2.gz VDWXOTCWHNIEQN-HNNXBMFYSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)CC2CCCC2)C[C@H]1C ZINC000946999476 613519926 /nfs/dbraw/zinc/51/99/26/613519926.db2.gz ACUSTLUDYUKBIN-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)CC2CC(C)(C)C2)[C@H](C)C1 ZINC000942577767 613520096 /nfs/dbraw/zinc/52/00/96/613520096.db2.gz OXLJTFZMQQOYCP-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)CC2CCCCC2)[C@H](C)C1 ZINC000941772355 613520928 /nfs/dbraw/zinc/52/09/28/613520928.db2.gz MYXIMRFDDIZRRU-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)c2cc(C)cs2)[C@@H](C)C1 ZINC000942030506 613523047 /nfs/dbraw/zinc/52/30/47/613523047.db2.gz YJMUOCDSUCUCFJ-UONOGXRCSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccsc2C)[C@@H](C)C1 ZINC000942034354 613525739 /nfs/dbraw/zinc/52/57/39/613525739.db2.gz WWMCNMDBYYCOEA-SWLSCSKDSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)C2CCC(=C)CC2)[C@H](C)C1 ZINC000942600934 613535048 /nfs/dbraw/zinc/53/50/48/613535048.db2.gz WXJFTINMFRYALD-WBVHZDCISA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C)cs2)C(C)(C)C1 ZINC000974565615 613545709 /nfs/dbraw/zinc/54/57/09/613545709.db2.gz IYDIODCWBHPAQI-CQSZACIVSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)C2CCCCC2)C1 ZINC000972536308 613612433 /nfs/dbraw/zinc/61/24/33/613612433.db2.gz KJVSEDBFIPUVKB-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)C2(CC)CCCCC2)C1 ZINC000980462592 613626449 /nfs/dbraw/zinc/62/64/49/613626449.db2.gz MWWMOPHQVGNZHE-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccc(C)s1 ZINC000968729564 613684420 /nfs/dbraw/zinc/68/44/20/613684420.db2.gz JJSFRPNWMCKTGA-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC000969018174 613685297 /nfs/dbraw/zinc/68/52/97/613685297.db2.gz XJYPRZTUFKPHAP-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1cccc(C)c1 ZINC000968733918 613687269 /nfs/dbraw/zinc/68/72/69/613687269.db2.gz XSJIEZKHRYPOJK-KRWDZBQOSA-N 1 1 286.419 3.155 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2cc(C)cs2)CC1 ZINC000948357296 613701639 /nfs/dbraw/zinc/70/16/39/613701639.db2.gz KVVYVCYLRONTMQ-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2(CC)CC2)C1 ZINC000963358053 613702952 /nfs/dbraw/zinc/70/29/52/613702952.db2.gz COXFJZXBVLZIBT-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC2(C)CC2)C1 ZINC000963335991 613706294 /nfs/dbraw/zinc/70/62/94/613706294.db2.gz BBGCGMQRFRHJMI-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Cl)cc2)C[C@H]1C ZINC000947956329 613752756 /nfs/dbraw/zinc/75/27/56/613752756.db2.gz BRLGXFDMWSRGLN-IUODEOHRSA-N 1 1 292.810 3.109 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C3CC3)c2)C[C@H]1C ZINC000948078864 613754220 /nfs/dbraw/zinc/75/42/20/613754220.db2.gz PICJWNZVPNUQMC-RDTXWAMCSA-N 1 1 298.430 3.333 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc(C3CC3)c2)C1 ZINC000968688702 613769263 /nfs/dbraw/zinc/76/92/63/613769263.db2.gz NKDZZPYCRRTCLI-KSSFIOAISA-N 1 1 298.430 3.190 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2CCCCCCC2)C1 ZINC000967310064 613771897 /nfs/dbraw/zinc/77/18/97/613771897.db2.gz GQIQJOWACHXNRX-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2=CCCCCC2)C[C@@H]1C ZINC000947240642 613780073 /nfs/dbraw/zinc/78/00/73/613780073.db2.gz QPLIQJBUZYUZHG-HOCLYGCPSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2csc(C)c2)C(C)(C)C1 ZINC000941098955 613799472 /nfs/dbraw/zinc/79/94/72/613799472.db2.gz IYVKPUHFHGRRAR-AWEZNQCLSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2CCN(C(=O)C(C)(CC)CC)CC[C@@H]2C1 ZINC000946896444 613832535 /nfs/dbraw/zinc/83/25/35/613832535.db2.gz JGUFTUUQZOCOKH-IYBDPMFKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C(C)(C)C)CC[C@@H]2C1 ZINC000946644498 613832809 /nfs/dbraw/zinc/83/28/09/613832809.db2.gz FJNCBORVIUDJGG-HRCADAONSA-N 1 1 292.467 3.025 20 30 CGEDMO CSCCON=C1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000811648147 617653610 /nfs/dbraw/zinc/65/36/10/617653610.db2.gz LQVGMWIYYLHVDX-ZDUSSCGKSA-N 1 1 278.421 3.016 20 30 CGEDMO C#CC[N@@H+](Cc1coc(-c2ccc(OC)cc2)n1)C(C)C ZINC000932392913 617717666 /nfs/dbraw/zinc/71/76/66/617717666.db2.gz FDCVNAVWVMNZAV-UHFFFAOYSA-N 1 1 284.359 3.194 20 30 CGEDMO C#CC[N@H+](Cc1coc(-c2ccc(OC)cc2)n1)C(C)C ZINC000932392913 617717670 /nfs/dbraw/zinc/71/76/70/617717670.db2.gz FDCVNAVWVMNZAV-UHFFFAOYSA-N 1 1 284.359 3.194 20 30 CGEDMO C=CCCCCCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000807571279 617856520 /nfs/dbraw/zinc/85/65/20/617856520.db2.gz HOYZCCQZYHJXHO-MRXNPFEDSA-N 1 1 293.455 3.001 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccccc2)C1 ZINC001021505161 618015118 /nfs/dbraw/zinc/01/51/18/618015118.db2.gz IOGSWUMIHXBZQL-QZTJIDSGSA-N 1 1 298.430 3.189 20 30 CGEDMO C=C(Cl)C[NH2+][C@H](CO)c1ccccc1C(F)(F)F ZINC000933239896 618171613 /nfs/dbraw/zinc/17/16/13/618171613.db2.gz KHSSIQYGDAWWGQ-LLVKDONJSA-N 1 1 279.689 3.081 20 30 CGEDMO COc1c(Cl)cc(Cl)cc1C=NNc1cc[nH+]cc1 ZINC000779809676 618384794 /nfs/dbraw/zinc/38/47/94/618384794.db2.gz SDPKQSAGWOETFU-UHFFFAOYSA-N 1 1 296.157 3.265 20 30 CGEDMO CCC(=NNc1cc[nH+]cc1)c1ccc(Cl)s1 ZINC000779810874 618388023 /nfs/dbraw/zinc/38/80/23/618388023.db2.gz AFXZMZAMGISIAH-UHFFFAOYSA-N 1 1 265.769 3.445 20 30 CGEDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000934121378 618482978 /nfs/dbraw/zinc/48/29/78/618482978.db2.gz LXQLBCUJMHUARD-JKSUJKDBSA-N 1 1 272.392 3.097 20 30 CGEDMO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC000900799829 620813800 /nfs/dbraw/zinc/81/38/00/620813800.db2.gz LLHFFJJTNDSNTB-GOEBONIOSA-N 1 1 278.440 3.064 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCS[C@H]3CCCC[C@H]32)cs1 ZINC000892122483 618544210 /nfs/dbraw/zinc/54/42/10/618544210.db2.gz WRYJMDUBVPCRFE-KGLIPLIRSA-N 1 1 278.446 3.480 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cccc(Br)c1O ZINC000158134467 618617184 /nfs/dbraw/zinc/61/71/84/618617184.db2.gz FSESZBHRDSLSAJ-UHFFFAOYSA-N 1 1 282.181 3.329 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1noc2c1CC(C)(C)CC2 ZINC000934460308 618624097 /nfs/dbraw/zinc/62/40/97/618624097.db2.gz HJWHISZGCZIWAF-GFCCVEGCSA-N 1 1 260.381 3.340 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1noc2c1CC(C)(C)CC2 ZINC000934460308 618624099 /nfs/dbraw/zinc/62/40/99/618624099.db2.gz HJWHISZGCZIWAF-GFCCVEGCSA-N 1 1 260.381 3.340 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1[C@H](C)C(=O)Nc1ccccc1SC ZINC000934473542 618628683 /nfs/dbraw/zinc/62/86/83/618628683.db2.gz XBMFXOKBNCDEFG-OLZOCXBDSA-N 1 1 290.432 3.386 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1ccccc1SC ZINC000934473542 618628684 /nfs/dbraw/zinc/62/86/84/618628684.db2.gz XBMFXOKBNCDEFG-OLZOCXBDSA-N 1 1 290.432 3.386 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1[C@H](C)C(=O)Nc1ccc(C)cc1F ZINC000934472538 618628745 /nfs/dbraw/zinc/62/87/45/618628745.db2.gz SGXBNGPELLXKFW-CHWSQXEVSA-N 1 1 276.355 3.112 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1ccc(C)cc1F ZINC000934472538 618628749 /nfs/dbraw/zinc/62/87/49/618628749.db2.gz SGXBNGPELLXKFW-CHWSQXEVSA-N 1 1 276.355 3.112 20 30 CGEDMO Cc1cc(C[N@H+]2C[C@@H]3CSC[C@]3(C)C2)ccc1C#N ZINC000934765041 618685175 /nfs/dbraw/zinc/68/51/75/618685175.db2.gz BMDYYZVRGWXESZ-CVEARBPZSA-N 1 1 272.417 3.052 20 30 CGEDMO COc1cccc2cc(C[NH2+]CC(C)(C)C#N)oc21 ZINC000168928951 618737585 /nfs/dbraw/zinc/73/75/85/618737585.db2.gz NNNYYRZRJCMOLT-UHFFFAOYSA-N 1 1 258.321 3.081 20 30 CGEDMO Cc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)cc(Cl)n1 ZINC000852319647 618957441 /nfs/dbraw/zinc/95/74/41/618957441.db2.gz AABAOYAEWQOZQQ-GFCCVEGCSA-N 1 1 263.772 3.169 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@H](CC#N)C2)cc(Cl)n1 ZINC000852319647 618957444 /nfs/dbraw/zinc/95/74/44/618957444.db2.gz AABAOYAEWQOZQQ-GFCCVEGCSA-N 1 1 263.772 3.169 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CCCC1)c1cc(O)cc(F)c1 ZINC000926874873 618960704 /nfs/dbraw/zinc/96/07/04/618960704.db2.gz VEEBCPIEZNVAQH-NSHDSACASA-N 1 1 262.328 3.266 20 30 CGEDMO C#C[C@@H](C)[NH2+]Cc1nc2ccc(Br)cc2s1 ZINC000309821820 618965554 /nfs/dbraw/zinc/96/55/54/618965554.db2.gz WMNRQYDMBRAVFM-MRVPVSSYSA-N 1 1 295.205 3.170 20 30 CGEDMO C[C@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)[C@H]1CCO ZINC000930970973 619096520 /nfs/dbraw/zinc/09/65/20/619096520.db2.gz MHQMMBPHLXDELW-HOTGVXAUSA-N 1 1 278.440 3.333 20 30 CGEDMO C[C@H]1COC2(CCC2)C[N@H+]1CCCCC1(C#N)CCC1 ZINC000930967906 619096872 /nfs/dbraw/zinc/09/68/72/619096872.db2.gz RVQUQOWOLVXTRZ-HNNXBMFYSA-N 1 1 276.424 3.494 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCSC[C@@H](C)C2)cc1 ZINC000190850131 619104406 /nfs/dbraw/zinc/10/44/06/619104406.db2.gz IWOWHKHVBIMUQL-KBPBESRZSA-N 1 1 290.432 3.162 20 30 CGEDMO C[C@@H](C(=O)O[C@@H](C#N)C1CCCCC1)[NH+]1CCCCCC1 ZINC000776388205 619123070 /nfs/dbraw/zinc/12/30/70/619123070.db2.gz XRYZJRMBDKLYJX-HOCLYGCPSA-N 1 1 292.423 3.267 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001009612127 619182291 /nfs/dbraw/zinc/18/22/91/619182291.db2.gz PRTKGSXLNBXYMK-SFHVURJKSA-N 1 1 298.430 3.334 20 30 CGEDMO COCCCC1(C[N@H+]2CCC[C@](C)(C#N)C2)CCC1 ZINC000893523488 619202685 /nfs/dbraw/zinc/20/26/85/619202685.db2.gz FBIMFBDMIAUMMB-OAHLLOKOSA-N 1 1 264.413 3.209 20 30 CGEDMO CC[C@@H](c1ccc(C#N)cc1)N1CCC([NH3+])(CC)CC1 ZINC000925757214 619220907 /nfs/dbraw/zinc/22/09/07/619220907.db2.gz FNQUMMGFYMHCHN-INIZCTEOSA-N 1 1 271.408 3.213 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000932205300 619309619 /nfs/dbraw/zinc/30/96/19/619309619.db2.gz WCTRXUTZQQHCJE-OLZOCXBDSA-N 1 1 263.410 3.090 20 30 CGEDMO C#CC[N@H+](Cc1cnc2onc(C)c2c1)C1CCCCC1 ZINC000893978730 619343863 /nfs/dbraw/zinc/34/38/63/619343863.db2.gz VUXMDTAFHGCDDC-UHFFFAOYSA-N 1 1 283.375 3.299 20 30 CGEDMO C[C@H]1CCC[N@@H+](C(C)(C)CNCc2cccc(C#N)c2)C1 ZINC000067222435 619395196 /nfs/dbraw/zinc/39/51/96/619395196.db2.gz VEJNQCIEENPQGH-HNNXBMFYSA-N 1 1 285.435 3.158 20 30 CGEDMO C[C@H]1CCC[N@H+](C(C)(C)CNCc2cccc(C#N)c2)C1 ZINC000067222435 619395199 /nfs/dbraw/zinc/39/51/99/619395199.db2.gz VEJNQCIEENPQGH-HNNXBMFYSA-N 1 1 285.435 3.158 20 30 CGEDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1csc(C#N)c1 ZINC000894412125 619525403 /nfs/dbraw/zinc/52/54/03/619525403.db2.gz HNSHSZBFXKZHNJ-JSGCOSHPSA-N 1 1 278.421 3.135 20 30 CGEDMO CO[C@@H]1C[C@@H]([N@@H+](C)Cc2csc(C#N)c2)C12CCC2 ZINC000894753844 619623138 /nfs/dbraw/zinc/62/31/38/619623138.db2.gz NUIGAESNTUGHLM-ZIAGYGMSSA-N 1 1 276.405 3.009 20 30 CGEDMO C=C(CC)C[NH2+]Cc1csc(C(F)(F)F)n1 ZINC000894776826 619625755 /nfs/dbraw/zinc/62/57/55/619625755.db2.gz XNGQXZWTDBEFJD-UHFFFAOYSA-N 1 1 250.289 3.218 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)cs1 ZINC000895181477 619772538 /nfs/dbraw/zinc/77/25/38/619772538.db2.gz XFKRNPPPHZYXMF-GFCCVEGCSA-N 1 1 268.332 3.241 20 30 CGEDMO COCCCC1(C[N@H+]2Cc3ccc(C#N)cc3C2)CCC1 ZINC000895215865 619783894 /nfs/dbraw/zinc/78/38/94/619783894.db2.gz RMAVJUISKPPXSX-UHFFFAOYSA-N 1 1 284.403 3.471 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2ccc3oc(=O)oc3c2)C1 ZINC000895250460 619790766 /nfs/dbraw/zinc/79/07/66/619790766.db2.gz KZDWXQUHKJHEDE-GFCCVEGCSA-N 1 1 273.332 3.174 20 30 CGEDMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000895313958 619804240 /nfs/dbraw/zinc/80/42/40/619804240.db2.gz OJBYOKCCJGINAE-OAHLLOKOSA-N 1 1 274.412 3.207 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000895313107 619804303 /nfs/dbraw/zinc/80/43/03/619804303.db2.gz CQWIQLDWBDENKE-AWEZNQCLSA-N 1 1 270.376 3.137 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2cccc3[nH]c(=O)oc32)C1 ZINC000895337350 619807231 /nfs/dbraw/zinc/80/72/31/619807231.db2.gz ITABKQVPVBFICQ-GFCCVEGCSA-N 1 1 272.348 3.322 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2c(Cl)c(C)nn2C)C1 ZINC000895337042 619807415 /nfs/dbraw/zinc/80/74/15/619807415.db2.gz CXRCOGRXDGBJDB-GFCCVEGCSA-N 1 1 267.804 3.170 20 30 CGEDMO C=C[C@@H](CC)CC(=O)OCCCCn1cc[nH+]c1C ZINC000909525616 619859633 /nfs/dbraw/zinc/85/96/33/619859633.db2.gz QBZJSWHQSSILIS-AWEZNQCLSA-N 1 1 264.369 3.117 20 30 CGEDMO COC1CCC(C[N@@H+](C)CCc2cccc(C#N)c2)CC1 ZINC000895785888 619885370 /nfs/dbraw/zinc/88/53/70/619885370.db2.gz KJJTTXSXHKZULO-UHFFFAOYSA-N 1 1 286.419 3.238 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000896233839 619972338 /nfs/dbraw/zinc/97/23/38/619972338.db2.gz XNLWFKJHRUSIRI-HYVNUMGLSA-N 1 1 254.377 3.200 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000896536895 620023533 /nfs/dbraw/zinc/02/35/33/620023533.db2.gz RHIGRRVNKLPYTL-UONOGXRCSA-N 1 1 277.437 3.337 20 30 CGEDMO N#Cc1cc(C[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)cs1 ZINC000896790302 620063523 /nfs/dbraw/zinc/06/35/23/620063523.db2.gz IJKJPEKGHCQWOT-HOTGVXAUSA-N 1 1 295.411 3.083 20 30 CGEDMO N#Cc1cc(C[N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)cs1 ZINC000896790302 620063525 /nfs/dbraw/zinc/06/35/25/620063525.db2.gz IJKJPEKGHCQWOT-HOTGVXAUSA-N 1 1 295.411 3.083 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)C=C2CCCCC2)CC1 ZINC000985313606 620167929 /nfs/dbraw/zinc/16/79/29/620167929.db2.gz YKAQPEYHULIGOI-UHFFFAOYSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CC[C@H]([NH2+][C@@H](C)c1cc2n(n1)CCC2)c1ccncc1 ZINC000840723270 620205087 /nfs/dbraw/zinc/20/50/87/620205087.db2.gz PIXGVGQJHKPSAE-BBRMVZONSA-N 1 1 282.391 3.192 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000305777634 620205336 /nfs/dbraw/zinc/20/53/36/620205336.db2.gz PXDFPZLKOZTBHV-XHSDSOJGSA-N 1 1 293.407 3.149 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC000985637399 620224371 /nfs/dbraw/zinc/22/43/71/620224371.db2.gz LDWLQLYKCAXXPE-HNNXBMFYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000985766246 620237110 /nfs/dbraw/zinc/23/71/10/620237110.db2.gz GHJPELYSZMBMBB-UHFFFAOYSA-N 1 1 286.419 3.108 20 30 CGEDMO C=CCC[N@@H+](C)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000786102377 620394583 /nfs/dbraw/zinc/39/45/83/620394583.db2.gz WOWKKESQYHAPAT-UHFFFAOYSA-N 1 1 293.348 3.337 20 30 CGEDMO C=CCC[N@H+](C)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000786102377 620394584 /nfs/dbraw/zinc/39/45/84/620394584.db2.gz WOWKKESQYHAPAT-UHFFFAOYSA-N 1 1 293.348 3.337 20 30 CGEDMO CC[C@H](C)[C@H](C[N@@H+](C)Cc1cc(C#N)cs1)OC ZINC000897624299 620411194 /nfs/dbraw/zinc/41/11/94/620411194.db2.gz HNZNYBCQOXYZQB-FZMZJTMJSA-N 1 1 266.410 3.113 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1nc2c(s1)CCC2 ZINC000898245339 620496573 /nfs/dbraw/zinc/49/65/73/620496573.db2.gz ACJMOSOROSDGLH-UHFFFAOYSA-N 1 1 250.411 3.420 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)c2cc(C)c(C)s2)CC1 ZINC000989625674 620519048 /nfs/dbraw/zinc/51/90/48/620519048.db2.gz LHTGMNZROHKDRM-UHFFFAOYSA-N 1 1 292.448 3.089 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)c2sccc2CC)CC1 ZINC000989724490 620521959 /nfs/dbraw/zinc/52/19/59/620521959.db2.gz GQDOMDRFYRMBEW-UHFFFAOYSA-N 1 1 292.448 3.035 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)C2CCC(C)(C)CC2)CC1 ZINC000989761073 620523537 /nfs/dbraw/zinc/52/35/37/620523537.db2.gz QSWSQXZXLGZKAR-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)[C@H]2CCCCC2(C)C)CC1 ZINC000989763531 620523658 /nfs/dbraw/zinc/52/36/58/620523658.db2.gz PIFPHJMHTVAIKU-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC=CCC3)CCC[C@@H]12 ZINC000989946252 620532968 /nfs/dbraw/zinc/53/29/68/620532968.db2.gz YLBCYYDSHWWOSP-JFIYKMOQSA-N 1 1 288.435 3.032 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)CC3CCCCC3)CCC[C@H]12 ZINC000989935006 620533267 /nfs/dbraw/zinc/53/32/67/620533267.db2.gz AAAUQHWKNKNOMM-FUHWJXTLSA-N 1 1 290.451 3.256 20 30 CGEDMO COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccc(C)c(C#N)c2)c1 ZINC000926959214 620555159 /nfs/dbraw/zinc/55/51/59/620555159.db2.gz ADCJQEYVMNFGKK-GFCCVEGCSA-N 1 1 298.342 3.097 20 30 CGEDMO C=CC[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccncc1 ZINC000902318168 621240654 /nfs/dbraw/zinc/24/06/54/621240654.db2.gz NRUWEXGVMXMHII-CVEARBPZSA-N 1 1 273.424 3.067 20 30 CGEDMO CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)CCO[C@H](C)C#N ZINC000801926627 621396147 /nfs/dbraw/zinc/39/61/47/621396147.db2.gz YDMZIVPWIVNFJR-RHSMWYFYSA-N 1 1 292.398 3.253 20 30 CGEDMO C[C@H](C#N)OCC[N@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000801929321 621399915 /nfs/dbraw/zinc/39/99/15/621399915.db2.gz KXPRWPGFUZGUBP-VXGBXAGGSA-N 1 1 289.404 3.218 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000801929321 621399922 /nfs/dbraw/zinc/39/99/22/621399922.db2.gz KXPRWPGFUZGUBP-VXGBXAGGSA-N 1 1 289.404 3.218 20 30 CGEDMO C=C(C[NH2+][C@@H](C)c1cn(CCC)nn1)c1ccccc1 ZINC000902775656 621434612 /nfs/dbraw/zinc/43/46/12/621434612.db2.gz BWSGVDKZFAPCSF-AWEZNQCLSA-N 1 1 270.380 3.052 20 30 CGEDMO Cc1c([C@@H](C)[NH2+]CC2(C#N)CCC2)cccc1[N+](=O)[O-] ZINC000903031102 621535202 /nfs/dbraw/zinc/53/52/02/621535202.db2.gz IABXXJRZCNFYQH-GFCCVEGCSA-N 1 1 273.336 3.248 20 30 CGEDMO COC(=O)c1ccc([C@@H](C)[NH2+]CC2(C#N)CCC2)c(C)c1 ZINC000903035945 621537338 /nfs/dbraw/zinc/53/73/38/621537338.db2.gz XEIXQEWHHKOJKW-CYBMUJFWSA-N 1 1 286.375 3.126 20 30 CGEDMO COc1c(C)cccc1C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000903043097 621540957 /nfs/dbraw/zinc/54/09/57/621540957.db2.gz PKXIGTOANDRXOB-CYBMUJFWSA-N 1 1 281.359 3.121 20 30 CGEDMO CC[C@@H](NC[C@@H]1CCCC[N@H+](C)C1)c1cccc(C#N)c1 ZINC000903069452 621567642 /nfs/dbraw/zinc/56/76/42/621567642.db2.gz HDLUJGQSJYCCSS-FUHWJXTLSA-N 1 1 285.435 3.331 20 30 CGEDMO CC[C@@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1cccc(C#N)c1 ZINC000903069452 621567643 /nfs/dbraw/zinc/56/76/43/621567643.db2.gz HDLUJGQSJYCCSS-FUHWJXTLSA-N 1 1 285.435 3.331 20 30 CGEDMO N#CC1(C[NH2+][C@H]2CCSc3c(F)cccc32)CC1 ZINC000903101234 621574581 /nfs/dbraw/zinc/57/45/81/621574581.db2.gz DDJQAGPGJUZAIB-LBPRGKRZSA-N 1 1 262.353 3.256 20 30 CGEDMO CC[C@H]([NH2+]CC(C)(C)C#N)c1cccc(OC)c1OC ZINC000903102222 621575340 /nfs/dbraw/zinc/57/53/40/621575340.db2.gz UWXJDOVRMIEEAM-ZDUSSCGKSA-N 1 1 276.380 3.294 20 30 CGEDMO CCC[C@@H]([NH2+]CC1(C#N)CC1)c1cccc([N+](=O)[O-])c1 ZINC000903102095 621575986 /nfs/dbraw/zinc/57/59/86/621575986.db2.gz SCABFKJBBRWLSS-CQSZACIVSA-N 1 1 273.336 3.329 20 30 CGEDMO CC(C)(C#N)C[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000903102029 621576040 /nfs/dbraw/zinc/57/60/40/621576040.db2.gz PZRSDBQQDDPAKI-MRXNPFEDSA-N 1 1 294.402 3.389 20 30 CGEDMO COc1ccc([C@@H]([NH2+]CC2(C#N)CC2)C2CC2)c(F)c1 ZINC000903105927 621578208 /nfs/dbraw/zinc/57/82/08/621578208.db2.gz IWIHJUNOHHVYIL-HNNXBMFYSA-N 1 1 274.339 3.179 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CCCC1)c1ccc(F)cc1O ZINC000903108551 621581529 /nfs/dbraw/zinc/58/15/29/621581529.db2.gz CZCQPYVCYFXELP-NSHDSACASA-N 1 1 262.328 3.266 20 30 CGEDMO COc1ncc([C@@H](C)[NH2+]CC2(C#N)CCCC2)cc1Cl ZINC000903108952 621582502 /nfs/dbraw/zinc/58/25/02/621582502.db2.gz IVWLMCLSCLJJOB-LLVKDONJSA-N 1 1 293.798 3.478 20 30 CGEDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1Nc1ccc(CCC#N)cc1 ZINC000903298110 621666808 /nfs/dbraw/zinc/66/68/08/621666808.db2.gz NLUPXIUEEHRMET-SUMWQHHRSA-N 1 1 269.392 3.037 20 30 CGEDMO CCCCCCCC[C@H]([NH3+])c1nc(-c2nccn2C)no1 ZINC000904615150 621946058 /nfs/dbraw/zinc/94/60/58/621946058.db2.gz SZDFSUQHYFOQFW-LBPRGKRZSA-N 1 1 291.399 3.221 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(CCC(C)(C)C)no1 ZINC000904712902 621960607 /nfs/dbraw/zinc/96/06/07/621960607.db2.gz NMIPAXNIQWIYKB-NSHDSACASA-N 1 1 251.374 3.404 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCC2)[C@@H]1C(C)C ZINC000905956563 622132845 /nfs/dbraw/zinc/13/28/45/622132845.db2.gz NALGGIYSXDUIAQ-HRCADAONSA-N 1 1 278.440 3.044 20 30 CGEDMO C#CCC[N@H+](C)Cc1ccc(Br)cc1C ZINC000769851056 625577602 /nfs/dbraw/zinc/57/76/02/625577602.db2.gz ABGPZJDZRQXCIQ-UHFFFAOYSA-N 1 1 266.182 3.213 20 30 CGEDMO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1cccnc1Cl ZINC000151376641 622776451 /nfs/dbraw/zinc/77/64/51/622776451.db2.gz NEGLEFLYAAKIFI-NSHDSACASA-N 1 1 271.751 3.457 20 30 CGEDMO Cc1cc(C)c(O)c(C[N@@H+](CCC#N)CC2CC2)c1 ZINC000164289636 622826828 /nfs/dbraw/zinc/82/68/28/622826828.db2.gz MRFZRNPQCPRQSC-UHFFFAOYSA-N 1 1 258.365 3.135 20 30 CGEDMO CC(C)C1CC[NH+](Cc2cc(C#N)cnc2Cl)CC1 ZINC000876769800 622831888 /nfs/dbraw/zinc/83/18/88/622831888.db2.gz ACKYQXJCHVLIAX-UHFFFAOYSA-N 1 1 277.799 3.475 20 30 CGEDMO C#CCCCCNc1cc[nH+]cc1Br ZINC000229553412 623145215 /nfs/dbraw/zinc/14/52/15/623145215.db2.gz QWWNYIUDFOHOJG-UHFFFAOYSA-N 1 1 253.143 3.060 20 30 CGEDMO COc1ccc(C[NH2+][C@H](C)c2nc(C)cs2)cc1C#N ZINC000087824428 623245564 /nfs/dbraw/zinc/24/55/64/623245564.db2.gz OBUWZTFPRZSRHJ-LLVKDONJSA-N 1 1 287.388 3.183 20 30 CGEDMO CCCCC(N)=[NH+]OCc1cccc2cccnc21 ZINC000063460104 623328125 /nfs/dbraw/zinc/32/81/25/623328125.db2.gz WVXWYJDKZVXLSF-UHFFFAOYSA-N 1 1 257.337 3.214 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3cc(C)ccc3C)CCC[C@@H]12 ZINC000992453054 623568987 /nfs/dbraw/zinc/56/89/87/623568987.db2.gz DPMCMMJFXGBRDG-IEBWSBKVSA-N 1 1 298.430 3.216 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C)c2)[C@H]1C ZINC000992987724 623768767 /nfs/dbraw/zinc/76/87/67/623768767.db2.gz QUNVWTHLLQQQKF-NVXWUHKLSA-N 1 1 286.419 3.154 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)oc2C)[C@H]1C ZINC000993051282 623806851 /nfs/dbraw/zinc/80/68/51/623806851.db2.gz RWWQGHPBSWLZLN-CZUORRHYSA-N 1 1 290.407 3.055 20 30 CGEDMO COc1ccc(N[NH2+]C=C2CC2(F)F)cc1Cl ZINC000834972545 623840602 /nfs/dbraw/zinc/84/06/02/623840602.db2.gz CVUQSPFRGQBOLI-ZETCQYMHSA-N 1 1 260.671 3.402 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)CC2=CCCCC2)[C@H]1C ZINC000993164213 623886093 /nfs/dbraw/zinc/88/60/93/623886093.db2.gz ZMOPLVFIZSNLJM-NVXWUHKLSA-N 1 1 290.451 3.422 20 30 CGEDMO c1sc(N=NC2C[NH+]3CCC2CC3)nc1-c1ccccc1 ZINC000915048282 623888949 /nfs/dbraw/zinc/88/89/49/623888949.db2.gz CAQDOIDTWUQRLY-UHFFFAOYSA-N 1 1 298.415 3.304 20 30 CGEDMO CC#CCC[N@H+]1CCCC[C@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000764955407 623970926 /nfs/dbraw/zinc/97/09/26/623970926.db2.gz YWYMDZPCKLPEOO-GJZGRUSLSA-N 1 1 294.439 3.168 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccoc2CC)[C@H]1C ZINC000993267063 623998110 /nfs/dbraw/zinc/99/81/10/623998110.db2.gz NSGZWJGCTUDDDL-HIFRSBDPSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C2(C3CCC3)CCC2)[C@@H]1C ZINC000993636845 624055749 /nfs/dbraw/zinc/05/57/49/624055749.db2.gz QNKXFWCVPMZGFZ-GOEBONIOSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C2CCC(=C)CC2)[C@@H]1C ZINC000993777470 624061964 /nfs/dbraw/zinc/06/19/64/624061964.db2.gz QRVBWEFHBQCTPA-RDJZCZTQSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccoc2CCC)[C@@H]1C ZINC000994227671 624071759 /nfs/dbraw/zinc/07/17/59/624071759.db2.gz HYOQVPLEQDAJPR-ZFWWWQNUSA-N 1 1 290.407 3.001 20 30 CGEDMO N#Cc1ccc(N=NC2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000915961889 624091818 /nfs/dbraw/zinc/09/18/18/624091818.db2.gz FUMBGWIBBVVXIM-UHFFFAOYSA-N 1 1 290.370 3.232 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C)cc2C)[C@@H]1C ZINC000994344680 624205348 /nfs/dbraw/zinc/20/53/48/624205348.db2.gz CUTDHWVRIVGHNW-DOTOQJQBSA-N 1 1 286.419 3.072 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC)cc2)[C@@H]1C ZINC000994349846 624205376 /nfs/dbraw/zinc/20/53/76/624205376.db2.gz KDCSJRGURSUJSV-WMLDXEAASA-N 1 1 286.419 3.018 20 30 CGEDMO C#CC[N@@H+](C[C@@H]1CCCCO1)[C@@H]1CCc2ccccc21 ZINC000917117234 624242308 /nfs/dbraw/zinc/24/23/08/624242308.db2.gz GDRHPIYRAPJZSK-FUHWJXTLSA-N 1 1 269.388 3.178 20 30 CGEDMO C[C@@H](Cc1[nH]cc[nH+]1)OCc1cc(Cl)cc(C#N)c1 ZINC000917395274 624264684 /nfs/dbraw/zinc/26/46/84/624264684.db2.gz KLJHQWGWKDYMOA-JTQLQIEISA-N 1 1 275.739 3.083 20 30 CGEDMO CCCCCCCCC(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000918396091 624346122 /nfs/dbraw/zinc/34/61/22/624346122.db2.gz DECXPACKQICISA-HNNXBMFYSA-N 1 1 268.445 3.338 20 30 CGEDMO C#CC[N@H+](CCOC(C)(C)C)[C@@H]1CCc2ccccc21 ZINC000920258524 624463571 /nfs/dbraw/zinc/46/35/71/624463571.db2.gz OYOKTAOLPZVQFA-QGZVFWFLSA-N 1 1 271.404 3.424 20 30 CGEDMO C=CCC1(C(=O)O[C@@H](C)Cn2cc[nH+]c2C)CCCC1 ZINC000835210921 634397178 /nfs/dbraw/zinc/39/71/78/634397178.db2.gz BSNWAZMDTISPMU-ZDUSSCGKSA-N 1 1 276.380 3.260 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H](O)c1ccccc1C(F)(F)F ZINC000181254674 624834658 /nfs/dbraw/zinc/83/46/58/624834658.db2.gz DZFUPNARRGRRPA-ZDUSSCGKSA-N 1 1 273.298 3.247 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)Cc2cccnc2)cc1 ZINC000183660110 625104228 /nfs/dbraw/zinc/10/42/28/625104228.db2.gz MGMZAZJSSGPUKS-AWEZNQCLSA-N 1 1 281.359 3.004 20 30 CGEDMO C[C@H](C#N)C[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000183835954 625146869 /nfs/dbraw/zinc/14/68/69/625146869.db2.gz MEFMFRBGWWQBKK-SECBINFHSA-N 1 1 256.321 3.251 20 30 CGEDMO C#CCCC[N@H+](C)Cc1cc(OC)ccc1Br ZINC000759650033 626912129 /nfs/dbraw/zinc/91/21/29/626912129.db2.gz NXUOETFJOLYQQW-UHFFFAOYSA-N 1 1 296.208 3.303 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CCC2(C)C)CC1 ZINC000998095673 625788144 /nfs/dbraw/zinc/78/81/44/625788144.db2.gz STNRRTBWQORDJR-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2CC)CC1 ZINC000998122469 625790468 /nfs/dbraw/zinc/79/04/68/625790468.db2.gz XFSPDRRSWDOGAO-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)C2CC3(CC3)C2)CC1 ZINC000998128461 625791960 /nfs/dbraw/zinc/79/19/60/625791960.db2.gz YOVSDGQKCAEWKI-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC23CC3)CC1 ZINC000998143931 625792513 /nfs/dbraw/zinc/79/25/13/625792513.db2.gz QUWDNMYVUMTUQU-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC001001130966 625891606 /nfs/dbraw/zinc/89/16/06/625891606.db2.gz HDKSQOLYUVYFCX-IAGOWNOFSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H]2C[C@@]2(C)CC)CC1 ZINC001001991686 625907383 /nfs/dbraw/zinc/90/73/83/625907383.db2.gz GAFZJSCCKKANPO-GDBMZVCRSA-N 1 1 298.858 3.003 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc([C@@H](C)CC)cc2)C1 ZINC001016346924 625968978 /nfs/dbraw/zinc/96/89/78/625968978.db2.gz XMTUTDCKFLYMGC-YOEHRIQHSA-N 1 1 286.419 3.190 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@]2(C)CCC(C)=C(C)C2)C1 ZINC001016370969 625975646 /nfs/dbraw/zinc/97/56/46/625975646.db2.gz GKJSHUZAMHOPHA-FUHWJXTLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001016375486 625975876 /nfs/dbraw/zinc/97/58/76/625975876.db2.gz XPYKTCHWYPKEJI-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@H](C)C2CCCC2)CC1 ZINC001003941813 625998134 /nfs/dbraw/zinc/99/81/34/625998134.db2.gz FWVBSOZZGSQLIA-CYBMUJFWSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CCOc1ccc(C[NH2+][C@H](c2ncccn2)C2CC2)cc1 ZINC000922580382 626015149 /nfs/dbraw/zinc/01/51/49/626015149.db2.gz CBHIUVJRRATPHA-KRWDZBQOSA-N 1 1 295.386 3.282 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@@H](C)c2ccc(F)cc2C)nn1 ZINC000922669267 626029128 /nfs/dbraw/zinc/02/91/28/626029128.db2.gz MXYVMBFMWGZFRD-ZDUSSCGKSA-N 1 1 288.370 3.153 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)F)CC1 ZINC001004324982 626039401 /nfs/dbraw/zinc/03/94/01/626039401.db2.gz JONARQNECKMEAL-OAHLLOKOSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCC)CC1 ZINC001004336160 626040703 /nfs/dbraw/zinc/04/07/03/626040703.db2.gz ROLSVRRESVACIU-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO CC(C)(C)CCN1CC[NH+](CC2CCC(C#N)CC2)CC1 ZINC000929323671 626066146 /nfs/dbraw/zinc/06/61/46/626066146.db2.gz PJSIDTHGEMCFRI-UHFFFAOYSA-N 1 1 291.483 3.370 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)c2cccs2)CC1 ZINC001005061325 626083998 /nfs/dbraw/zinc/08/39/98/626083998.db2.gz PSSKCTALWGPDRL-UHFFFAOYSA-N 1 1 298.839 3.037 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](C)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000839175750 626325806 /nfs/dbraw/zinc/32/58/06/626325806.db2.gz YMWLFAILBGOKBC-DJIMGWMZSA-N 1 1 272.392 3.183 20 30 CGEDMO c1ccc(C[N@H+]2CCC(N=Nc3ccccc3)C2)cc1 ZINC000839384764 626343312 /nfs/dbraw/zinc/34/33/12/626343312.db2.gz ZMEYUJWPHDMADK-UHFFFAOYSA-N 1 1 265.360 3.360 20 30 CGEDMO CC[N@@H+](C[C@@H](O)c1ccc(C)cc1)[C@@H](C)CCC#N ZINC000839498224 626356965 /nfs/dbraw/zinc/35/69/65/626356965.db2.gz HJFYIIVODYVVPS-GOEBONIOSA-N 1 1 260.381 3.043 20 30 CGEDMO CC(CCc1ccco1)=[NH+]n1cc(Br)cn1 ZINC000752746341 626437174 /nfs/dbraw/zinc/43/71/74/626437174.db2.gz INIPLCIRLVZZEY-UHFFFAOYSA-N 1 1 282.141 3.095 20 30 CGEDMO C#CCC[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000752856661 626440854 /nfs/dbraw/zinc/44/08/54/626440854.db2.gz QCDZNEXOLXXNSK-UHFFFAOYSA-N 1 1 292.220 3.436 20 30 CGEDMO C#CCC[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000752857342 626440870 /nfs/dbraw/zinc/44/08/70/626440870.db2.gz UDMDNRDFXXKYQO-UHFFFAOYSA-N 1 1 278.193 3.437 20 30 CGEDMO C#Cc1ccc(C[NH2+][C@H](CC)c2nccs2)cc1 ZINC000809621814 626448761 /nfs/dbraw/zinc/44/87/61/626448761.db2.gz RHEVOYBYDCXZOM-CQSZACIVSA-N 1 1 256.374 3.365 20 30 CGEDMO Cc1ccc(C)c(N=NC2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000753956991 626470029 /nfs/dbraw/zinc/47/00/29/626470029.db2.gz ZEBQXUOYVHEWRF-ZDUSSCGKSA-N 1 1 257.381 3.328 20 30 CGEDMO CCCCCCCCC(=O)N1CC[NH+](C2CC2)CC1 ZINC000124772537 634505516 /nfs/dbraw/zinc/50/55/16/634505516.db2.gz HCRMNHUGXGFEPP-UHFFFAOYSA-N 1 1 266.429 3.044 20 30 CGEDMO CCCCCCCCNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000755075564 626599564 /nfs/dbraw/zinc/59/95/64/626599564.db2.gz NZVUULNWIGTEQO-JKSUJKDBSA-N 1 1 297.487 3.329 20 30 CGEDMO CCCCCCCCNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000755077140 626599860 /nfs/dbraw/zinc/59/98/60/626599860.db2.gz GMCQQJUTFCECJS-INIZCTEOSA-N 1 1 297.487 3.330 20 30 CGEDMO C#CC[N@@H+](CC(=O)N(c1ccccc1)C(C)C)C1CCCC1 ZINC000756912013 626740722 /nfs/dbraw/zinc/74/07/22/626740722.db2.gz RDPDMFLFDOYSOM-UHFFFAOYSA-N 1 1 298.430 3.306 20 30 CGEDMO C#CC[N@H+](CC(=O)N(c1ccccc1)C(C)C)C1CCCC1 ZINC000756912013 626740724 /nfs/dbraw/zinc/74/07/24/626740724.db2.gz RDPDMFLFDOYSOM-UHFFFAOYSA-N 1 1 298.430 3.306 20 30 CGEDMO C#CC[C@@H]([NH2+]Cc1cn2ccccc2n1)c1ccccc1 ZINC000756996080 626745874 /nfs/dbraw/zinc/74/58/74/626745874.db2.gz NRAXEJWHHGYWGR-QGZVFWFLSA-N 1 1 275.355 3.189 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)CC1(O)CCCCC1 ZINC000839546883 626761482 /nfs/dbraw/zinc/76/14/82/626761482.db2.gz CBPCVTFCLPHDLU-UHFFFAOYSA-N 1 1 263.381 3.005 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1ccccc1N1CCCCC1 ZINC000757907557 626813846 /nfs/dbraw/zinc/81/38/46/626813846.db2.gz VZWWQDXBHYLULQ-UHFFFAOYSA-N 1 1 271.408 3.316 20 30 CGEDMO C#CCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000760843752 626995782 /nfs/dbraw/zinc/99/57/82/626995782.db2.gz MJYWYICGSSIDOV-MRXNPFEDSA-N 1 1 285.412 3.307 20 30 CGEDMO C[C@@H]1CC(N=Nc2cccc3ccccc32)C[N@H+]1C ZINC000761812326 627062867 /nfs/dbraw/zinc/06/28/67/627062867.db2.gz NOVAVYWMDZZUCY-GFCCVEGCSA-N 1 1 253.349 3.332 20 30 CGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCCc3sccc3C2)cc1 ZINC000763410657 627157042 /nfs/dbraw/zinc/15/70/42/627157042.db2.gz NFSRAVCOGGWWRJ-MRXNPFEDSA-N 1 1 298.411 3.102 20 30 CGEDMO C#CC[N@H+](Cc1ccc(Cl)c2cccnc12)C1CC1 ZINC000763956645 627187658 /nfs/dbraw/zinc/18/76/58/627187658.db2.gz UHGGGSTZQQTFPV-UHFFFAOYSA-N 1 1 270.763 3.486 20 30 CGEDMO CC(=[NH+]OCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000764836377 627228130 /nfs/dbraw/zinc/22/81/30/627228130.db2.gz SLVUDFDAFZFVHZ-UHFFFAOYSA-N 1 1 260.259 3.056 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OC(F)F)c(OCC)c1)C1CC1 ZINC000765302505 627245304 /nfs/dbraw/zinc/24/53/04/627245304.db2.gz QREPCSWMSHAKGV-UHFFFAOYSA-N 1 1 295.329 3.284 20 30 CGEDMO C#CCOc1ccc([C@@H](C)NCC[N@@H+](C)[C@H](C)CC)cc1 ZINC000765654560 627265311 /nfs/dbraw/zinc/26/53/11/627265311.db2.gz KILZCQHPVDFSFU-HZPDHXFCSA-N 1 1 288.435 3.080 20 30 CGEDMO C#CCOc1ccc([C@@H](C)NCC[N@H+](C)[C@H](C)CC)cc1 ZINC000765654560 627265314 /nfs/dbraw/zinc/26/53/14/627265314.db2.gz KILZCQHPVDFSFU-HZPDHXFCSA-N 1 1 288.435 3.080 20 30 CGEDMO C=C(Br)C[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000125050547 634560485 /nfs/dbraw/zinc/56/04/85/634560485.db2.gz JZIWKMLMKIWTPH-SECBINFHSA-N 1 1 288.160 3.394 20 30 CGEDMO C#CC[N@H+](CC1CCC(C(F)(F)F)CC1)C1CC1 ZINC000768530156 627484498 /nfs/dbraw/zinc/48/44/98/627484498.db2.gz ZHUBGNRJJBBXKY-UHFFFAOYSA-N 1 1 259.315 3.453 20 30 CGEDMO C=CC[N@H+](Cc1c(Cl)nc2ccccn21)C(C)C ZINC000768547377 627486191 /nfs/dbraw/zinc/48/61/91/627486191.db2.gz JXKVBTQMFXGIGC-UHFFFAOYSA-N 1 1 263.772 3.384 20 30 CGEDMO C=CC[N@@H+](Cc1c(Cl)nc2ccccn21)C(C)C ZINC000768547377 627486192 /nfs/dbraw/zinc/48/61/92/627486192.db2.gz JXKVBTQMFXGIGC-UHFFFAOYSA-N 1 1 263.772 3.384 20 30 CGEDMO C#CC[N@@H+](Cc1n[nH]c2ccccc21)C1CCCCC1 ZINC000769145141 627525577 /nfs/dbraw/zinc/52/55/77/627525577.db2.gz CTCVSRPIDVZCSD-UHFFFAOYSA-N 1 1 267.376 3.331 20 30 CGEDMO C#CCOc1ccc(C[N@@H+](CCC#N)CCC(C)C)cc1 ZINC000769335874 627543761 /nfs/dbraw/zinc/54/37/61/627543761.db2.gz QUKLVDLEHCVYBC-UHFFFAOYSA-N 1 1 284.403 3.460 20 30 CGEDMO C#CCOc1ccc(C[N@H+](CCC#N)CCC(C)C)cc1 ZINC000769335874 627543763 /nfs/dbraw/zinc/54/37/63/627543763.db2.gz QUKLVDLEHCVYBC-UHFFFAOYSA-N 1 1 284.403 3.460 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CCS[C@H](CC)C2)cc1 ZINC000769445587 627552760 /nfs/dbraw/zinc/55/27/60/627552760.db2.gz HAQRYSPNZGBQRL-QGZVFWFLSA-N 1 1 289.444 3.416 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OC)c(C)c1)C1CCCC1 ZINC000769531122 627562812 /nfs/dbraw/zinc/56/28/12/627562812.db2.gz SNEDJSMRZIRKMB-UHFFFAOYSA-N 1 1 257.377 3.381 20 30 CGEDMO CCN(C)c1ccc(C(C)=[NH+]NCC(F)(F)F)cc1 ZINC000769810798 627579788 /nfs/dbraw/zinc/57/97/88/627579788.db2.gz OHEWRQIDSOTBIM-UHFFFAOYSA-N 1 1 273.302 3.019 20 30 CGEDMO N#C[C@@H]1CC[C@H](NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000769999619 627597063 /nfs/dbraw/zinc/59/70/63/627597063.db2.gz APSMCTJVRUWDPC-AEFFLSMTSA-N 1 1 289.467 3.313 20 30 CGEDMO C#CCOc1ccc(CNc2ccc3c(c2)[nH+]cn3C)cc1 ZINC000770589378 627629627 /nfs/dbraw/zinc/62/96/27/627629627.db2.gz QIESBAUGHSAFMF-UHFFFAOYSA-N 1 1 291.354 3.197 20 30 CGEDMO C[C@@H]1CC(=NN[C@@H]2CCCCC2(C)C)CC[N@H+]1C ZINC000773125497 627859786 /nfs/dbraw/zinc/85/97/86/627859786.db2.gz PIRRLEHNXJRHGA-TZMCWYRMSA-N 1 1 251.418 3.015 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)cc1 ZINC000773430624 627883360 /nfs/dbraw/zinc/88/33/60/627883360.db2.gz RPVBBWVGNBBYMC-INIZCTEOSA-N 1 1 288.391 3.064 20 30 CGEDMO C#CC[N@@H+](Cc1cccc2nccn21)C1CCCCC1 ZINC000775664892 628122419 /nfs/dbraw/zinc/12/24/19/628122419.db2.gz QRGNSDFRKMXKBV-UHFFFAOYSA-N 1 1 267.376 3.102 20 30 CGEDMO CC(=NNc1cc[nH+]cc1)c1ccccc1OC(F)(F)F ZINC000779808637 628433369 /nfs/dbraw/zinc/43/33/69/628433369.db2.gz FBZIPNYMSODSHR-UHFFFAOYSA-N 1 1 295.264 3.238 20 30 CGEDMO CC(=NNc1cc[nH+]cc1)c1ccc(F)cc1OC(F)F ZINC000779809471 628434132 /nfs/dbraw/zinc/43/41/32/628434132.db2.gz OXNOSTZTWBIJHR-UHFFFAOYSA-N 1 1 295.264 3.080 20 30 CGEDMO C(=NNc1cc[nH+]cc1)c1cccc(OC2CCCC2)c1 ZINC000779811256 628434475 /nfs/dbraw/zinc/43/44/75/628434475.db2.gz NUAJBLOCHLJGAO-UHFFFAOYSA-N 1 1 281.359 3.271 20 30 CGEDMO C=C(Br)C[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000780375118 628485491 /nfs/dbraw/zinc/48/54/91/628485491.db2.gz SBEDWIFHZOTZEF-ZDUSSCGKSA-N 1 1 296.208 3.296 20 30 CGEDMO C=C(Br)C[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000780375118 628485497 /nfs/dbraw/zinc/48/54/97/628485497.db2.gz SBEDWIFHZOTZEF-ZDUSSCGKSA-N 1 1 296.208 3.296 20 30 CGEDMO C=C[C@H](C)OC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000781577907 628574287 /nfs/dbraw/zinc/57/42/87/628574287.db2.gz CDEKLUHQZKYMOI-GOEBONIOSA-N 1 1 273.376 3.159 20 30 CGEDMO C=C[C@H](C)OC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000781577907 628574289 /nfs/dbraw/zinc/57/42/89/628574289.db2.gz CDEKLUHQZKYMOI-GOEBONIOSA-N 1 1 273.376 3.159 20 30 CGEDMO Cc1cc(C[NH+]2CCC(CC#N)CC2)cnc1Cl ZINC000781927906 628606129 /nfs/dbraw/zinc/60/61/29/628606129.db2.gz RXJJVNPQRKTKFW-UHFFFAOYSA-N 1 1 263.772 3.169 20 30 CGEDMO COc1ccc(N=NC2C[C@@H](C)[N@H+](C3CC3)C2)cc1Cl ZINC000782230339 628627639 /nfs/dbraw/zinc/62/76/39/628627639.db2.gz MDKRAYSYBLPCMH-SNVBAGLBSA-N 1 1 293.798 3.373 20 30 CGEDMO CCCCCCCCCC[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782620060 628655950 /nfs/dbraw/zinc/65/59/50/628655950.db2.gz UCPLPURXLLGTNS-JKSUJKDBSA-N 1 1 253.430 3.441 20 30 CGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCCC3(CCCC3)C2)cc1 ZINC000782636808 628657465 /nfs/dbraw/zinc/65/74/65/628657465.db2.gz LSSHMJPPHKOQHD-QGZVFWFLSA-N 1 1 284.403 3.248 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc2ccccc2n1 ZINC000783300160 628701406 /nfs/dbraw/zinc/70/14/06/628701406.db2.gz JAOWCYRCBRRZQS-ZDUSSCGKSA-N 1 1 288.354 3.352 20 30 CGEDMO C#CC[N@H+](CCCNC(=O)OC(C)(C)C)CC1CCCC1 ZINC000805778255 628862808 /nfs/dbraw/zinc/86/28/08/628862808.db2.gz XDXRWXXEFFMNNQ-UHFFFAOYSA-N 1 1 294.439 3.027 20 30 CGEDMO C[C@H](OC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)c1cccc(C#N)c1 ZINC000785732146 628883463 /nfs/dbraw/zinc/88/34/63/628883463.db2.gz NFCVHPJOLMTGLQ-MJBXVCDLSA-N 1 1 286.375 3.035 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1cncc(OCc2ccccc2)c1 ZINC000785833020 628890876 /nfs/dbraw/zinc/89/08/76/628890876.db2.gz OOHNDVZJPSCNCG-HNNXBMFYSA-N 1 1 280.371 3.114 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1cncc(OCc2ccccc2)c1 ZINC000785833020 628890879 /nfs/dbraw/zinc/89/08/79/628890879.db2.gz OOHNDVZJPSCNCG-HNNXBMFYSA-N 1 1 280.371 3.114 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000786435811 628932910 /nfs/dbraw/zinc/93/29/10/628932910.db2.gz IOIUGVOPANPCIZ-UHFFFAOYSA-N 1 1 264.756 3.250 20 30 CGEDMO N#Cc1cccc(COC(=O)[C@H]2CCC[N@H+]2C2CCCC2)c1 ZINC000786886296 628968810 /nfs/dbraw/zinc/96/88/10/628968810.db2.gz XIZCVSWOYUTUDW-QGZVFWFLSA-N 1 1 298.386 3.008 20 30 CGEDMO C#CC[N@@H+](C[C@H]1CCSC1)[C@@H]1CCc2ccccc21 ZINC000787042638 628981060 /nfs/dbraw/zinc/98/10/60/628981060.db2.gz RFEORLJBPDLUKZ-RHSMWYFYSA-N 1 1 271.429 3.362 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1cc(-c2ccc(C)cc2)no1 ZINC000787998550 629039431 /nfs/dbraw/zinc/03/94/31/629039431.db2.gz HCQAVORTRJJXES-UHFFFAOYSA-N 1 1 268.360 3.494 20 30 CGEDMO CC(=NN1CC[NH+](C)CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000788406786 629049845 /nfs/dbraw/zinc/04/98/45/629049845.db2.gz CVWIDXRBHKSOEZ-NWDGAFQWSA-N 1 1 297.855 3.128 20 30 CGEDMO Cc1ccc(N(CCC#N)C(=O)C[NH+]2[C@H](C)C[C@H]2C)cc1C ZINC000791567597 629289081 /nfs/dbraw/zinc/28/90/81/629289081.db2.gz SFZXJRMQGMUCRV-HZPDHXFCSA-N 1 1 299.418 3.033 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862338306 629345416 /nfs/dbraw/zinc/34/54/16/629345416.db2.gz PDLPIUISMLCWCG-UHFFFAOYSA-N 1 1 254.324 3.039 20 30 CGEDMO CCCCCCCCC[N@H+]1CCN(CCO)C(C)(C)C1 ZINC000792298184 629354668 /nfs/dbraw/zinc/35/46/68/629354668.db2.gz BIFRQOPMPJCHNX-UHFFFAOYSA-N 1 1 284.488 3.126 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2csc(C(C)(C)C)n2)C1 ZINC000862442983 629375672 /nfs/dbraw/zinc/37/56/72/629375672.db2.gz JZSLNMPSVOGZKM-LBPRGKRZSA-N 1 1 262.422 3.286 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000862442999 629376109 /nfs/dbraw/zinc/37/61/09/629376109.db2.gz KEUOVRFGTSRVDT-NSHDSACASA-N 1 1 278.739 3.093 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccccc2OCC=C)C1 ZINC000862444226 629376413 /nfs/dbraw/zinc/37/64/13/629376413.db2.gz ZVAVYILMQRATIC-HNNXBMFYSA-N 1 1 255.361 3.097 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2cnc(-c3ccco3)s2)C1 ZINC000862446762 629379918 /nfs/dbraw/zinc/37/99/18/629379918.db2.gz DEWISXMNJNPIQI-GFCCVEGCSA-N 1 1 272.373 3.248 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cn(-c3ccc(C)cc3)nc2C)C1 ZINC000862447520 629380771 /nfs/dbraw/zinc/38/07/71/629380771.db2.gz NNPGMIAWMGRZMO-QGZVFWFLSA-N 1 1 293.414 3.334 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000862447930 629381774 /nfs/dbraw/zinc/38/17/74/629381774.db2.gz SQDGDKSVXFGMMG-SNVBAGLBSA-N 1 1 267.731 3.030 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000862447930 629381776 /nfs/dbraw/zinc/38/17/76/629381776.db2.gz SQDGDKSVXFGMMG-SNVBAGLBSA-N 1 1 267.731 3.030 20 30 CGEDMO C[C@]12CC[N@@H+](CCCSCC#N)C[C@H]1C2(Cl)Cl ZINC000792908957 629393150 /nfs/dbraw/zinc/39/31/50/629393150.db2.gz NRJDLPNBDHKFNN-MNOVXSKESA-N 1 1 293.263 3.149 20 30 CGEDMO c1cnn(N=C2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]23)c1 ZINC000863163762 629487085 /nfs/dbraw/zinc/48/70/85/629487085.db2.gz OOLRGKYMFAJBAL-SJLPKXTDSA-N 1 1 294.402 3.162 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@@H+]2CC[C@H]2CC)c1O ZINC000793821796 629503426 /nfs/dbraw/zinc/50/34/26/629503426.db2.gz SVYIOOFFZWEREH-CQSZACIVSA-N 1 1 261.365 3.114 20 30 CGEDMO COCCCON=C1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000795053094 629628621 /nfs/dbraw/zinc/62/86/21/629628621.db2.gz IKCMMCMFARSNDS-UHFFFAOYSA-N 1 1 290.407 3.080 20 30 CGEDMO C#CCC[N@@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@H]1C ZINC000795398021 629669732 /nfs/dbraw/zinc/66/97/32/629669732.db2.gz TYJPRMHNDXKPJL-GFCCVEGCSA-N 1 1 280.774 3.013 20 30 CGEDMO C#CC[N@H+](CC1CC(OCC)C1)[C@H]1CCc2ccccc21 ZINC000795873757 629722662 /nfs/dbraw/zinc/72/26/62/629722662.db2.gz QNJMVSSBLHCDCP-KVWWFHCMSA-N 1 1 283.415 3.424 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+](Cc1ccccc1Cl)CC1CC1 ZINC000796260674 629758130 /nfs/dbraw/zinc/75/81/30/629758130.db2.gz NQYNNRGUTKRDNQ-ZDUSSCGKSA-N 1 1 292.810 3.481 20 30 CGEDMO CC(C)(C)[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000796574443 629801817 /nfs/dbraw/zinc/80/18/17/629801817.db2.gz DVIIIVYFOWDILT-SJORKVTESA-N 1 1 286.419 3.350 20 30 CGEDMO C=C(Br)C[NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000796746145 629825027 /nfs/dbraw/zinc/82/50/27/629825027.db2.gz PWTJPMIZLGNTJK-QMMMGPOBSA-N 1 1 297.152 3.093 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000798965246 630132412 /nfs/dbraw/zinc/13/24/12/630132412.db2.gz QKASBSIAZOJMRF-AWEZNQCLSA-N 1 1 257.381 3.201 20 30 CGEDMO CC(C)c1cc(C[NH2+]Cc2cc(C#N)ccc2N(C)C)on1 ZINC000865465174 630135465 /nfs/dbraw/zinc/13/54/65/630135465.db2.gz XVFLBNDNADQOKK-UHFFFAOYSA-N 1 1 298.390 3.025 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799190600 630156155 /nfs/dbraw/zinc/15/61/55/630156155.db2.gz RQZYOMVXUHHONL-CQSZACIVSA-N 1 1 281.334 3.082 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799190600 630156157 /nfs/dbraw/zinc/15/61/57/630156157.db2.gz RQZYOMVXUHHONL-CQSZACIVSA-N 1 1 281.334 3.082 20 30 CGEDMO C#CC[C@H]([NH2+]Cc1cn(C2CC2)cn1)c1ccccc1 ZINC000865512692 630162957 /nfs/dbraw/zinc/16/29/57/630162957.db2.gz RTGWPDMIBNIRLU-KRWDZBQOSA-N 1 1 265.360 3.072 20 30 CGEDMO C=CC[C@@H]([NH2+][C@H](C)c1cc(C)n(C)n1)c1ccncc1 ZINC000800478737 630284162 /nfs/dbraw/zinc/28/41/62/630284162.db2.gz QNHQHIVLMDJBJN-UKRRQHHQSA-N 1 1 270.380 3.092 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000801573784 630344520 /nfs/dbraw/zinc/34/45/20/630344520.db2.gz HWYHJHSOWKNWNR-RHSMWYFYSA-N 1 1 294.439 3.025 20 30 CGEDMO CCCCCCC[N@H+]1[C@@H]2C[C@@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000801601130 630347291 /nfs/dbraw/zinc/34/72/91/630347291.db2.gz YLUZMZCYSILGOH-WCVJEAGWSA-N 1 1 297.439 3.140 20 30 CGEDMO Cc1ccc(C)c([C@@H](C)[N@H+](C)CCO[C@@H](C)C#N)c1 ZINC000801914274 630365142 /nfs/dbraw/zinc/36/51/42/630365142.db2.gz VRCLVUINWBLOPO-LSDHHAIUSA-N 1 1 260.381 3.225 20 30 CGEDMO Cc1ccc(C)c([C@H](C)[N@H+](C)CCO[C@@H](C)C#N)c1 ZINC000801914270 630365268 /nfs/dbraw/zinc/36/52/68/630365268.db2.gz VRCLVUINWBLOPO-GJZGRUSLSA-N 1 1 260.381 3.225 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000801924181 630367751 /nfs/dbraw/zinc/36/77/51/630367751.db2.gz RUQNVOPWHPJBMJ-LSDHHAIUSA-N 1 1 290.432 3.029 20 30 CGEDMO Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)CCO[C@@H](C)C#N)cc1 ZINC000801923560 630368105 /nfs/dbraw/zinc/36/81/05/630368105.db2.gz KNEJVUJSRKNFCT-SZMVWBNQSA-N 1 1 286.419 3.492 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000801924002 630368119 /nfs/dbraw/zinc/36/81/19/630368119.db2.gz PTPBPRCFLACWHO-DVOMOZLQSA-N 1 1 276.355 3.137 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CC[C@H](C)C2(CCCCC2)C1 ZINC000801941200 630372119 /nfs/dbraw/zinc/37/21/19/630372119.db2.gz JXLYOYURNLASLL-LSDHHAIUSA-N 1 1 264.413 3.207 20 30 CGEDMO C=C(C)CCOC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000803302525 630462869 /nfs/dbraw/zinc/46/28/69/630462869.db2.gz QIPZHGYBQQZHQN-UHFFFAOYSA-N 1 1 288.391 3.116 20 30 CGEDMO C=C(CNC(=O)C[N@H+](C)CCCCCC)c1ccccc1 ZINC000807798125 630599323 /nfs/dbraw/zinc/59/93/23/630599323.db2.gz OTQBSOPIEPJCRW-UHFFFAOYSA-N 1 1 288.435 3.328 20 30 CGEDMO C=CC[C@@H](C)[N@@H+](C)Cc1nc([C@@H](C)SCC)no1 ZINC000878197679 635411328 /nfs/dbraw/zinc/41/13/28/635411328.db2.gz JZOXYWXZTIUKIO-GHMZBOCLSA-N 1 1 269.414 3.280 20 30 CGEDMO C=CC[C@@H](C)[N@H+](C)Cc1nc([C@@H](C)SCC)no1 ZINC000878197679 635411336 /nfs/dbraw/zinc/41/13/36/635411336.db2.gz JZOXYWXZTIUKIO-GHMZBOCLSA-N 1 1 269.414 3.280 20 30 CGEDMO C=C(Br)C[NH2+][C@@H](C)c1cnc(C)s1 ZINC000126969136 635418175 /nfs/dbraw/zinc/41/81/75/635418175.db2.gz ZLTPQZAHNPJJJE-ZETCQYMHSA-N 1 1 261.188 3.011 20 30 CGEDMO C#Cc1ccc(C[N@@H+](C)Cc2nc3ccccc3n2C)cc1 ZINC000809577670 630754008 /nfs/dbraw/zinc/75/40/08/630754008.db2.gz YXGKLXMBJVXDFX-UHFFFAOYSA-N 1 1 289.382 3.187 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)Cc2nc3ccccc3n2C)cc1 ZINC000809577670 630754010 /nfs/dbraw/zinc/75/40/10/630754010.db2.gz YXGKLXMBJVXDFX-UHFFFAOYSA-N 1 1 289.382 3.187 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC=C(C(F)(F)F)CC2)cc1 ZINC000809581858 630755013 /nfs/dbraw/zinc/75/50/13/630755013.db2.gz PUNWPHLRDQKETM-UHFFFAOYSA-N 1 1 265.278 3.362 20 30 CGEDMO C#C[C@H](NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)C(C)C ZINC000809685468 630780813 /nfs/dbraw/zinc/78/08/13/630780813.db2.gz VLJNVKAYFRZMNY-NJAFHUGGSA-N 1 1 276.468 3.277 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)Cc1ccc(OC)cc1OC ZINC000809717642 630789286 /nfs/dbraw/zinc/78/92/86/630789286.db2.gz LJTRBRVLRHNKKY-UHFFFAOYSA-N 1 1 295.382 3.339 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(OC)cc1OC ZINC000809717642 630789290 /nfs/dbraw/zinc/78/92/90/630789290.db2.gz LJTRBRVLRHNKKY-UHFFFAOYSA-N 1 1 295.382 3.339 20 30 CGEDMO C#CC[N@@H+](Cc1c[nH]nc1C(C)(C)C)Cc1ccccc1 ZINC000809717600 630789651 /nfs/dbraw/zinc/78/96/51/630789651.db2.gz KPQRNRKSDFXWMP-UHFFFAOYSA-N 1 1 281.403 3.343 20 30 CGEDMO C#CC[N@H+](Cc1c[nH]nc1C(C)(C)C)Cc1ccccc1 ZINC000809717600 630789656 /nfs/dbraw/zinc/78/96/56/630789656.db2.gz KPQRNRKSDFXWMP-UHFFFAOYSA-N 1 1 281.403 3.343 20 30 CGEDMO C#CC[N@H+](CCCc1cnccc1C)Cc1ccccc1 ZINC000809716910 630790114 /nfs/dbraw/zinc/79/01/14/630790114.db2.gz VBLPXDNKWIYYPL-UHFFFAOYSA-N 1 1 278.399 3.458 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)Cc1cccc(OC)c1OC ZINC000809717926 630790240 /nfs/dbraw/zinc/79/02/40/630790240.db2.gz ONJHWVUYHCAFBF-UHFFFAOYSA-N 1 1 295.382 3.339 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1cccc(OC)c1OC ZINC000809717926 630790245 /nfs/dbraw/zinc/79/02/45/630790245.db2.gz ONJHWVUYHCAFBF-UHFFFAOYSA-N 1 1 295.382 3.339 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)CCn1ccc2cc(Cl)ccc21 ZINC000809989618 630825697 /nfs/dbraw/zinc/82/56/97/630825697.db2.gz CPIQERJGLCWEBM-GFCCVEGCSA-N 1 1 260.768 3.248 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCC[C@@H]1c1nc(C(=O)OCC)cs1 ZINC000878504208 635533474 /nfs/dbraw/zinc/53/34/74/635533474.db2.gz DVQZLGCAFWLAQL-WCQYABFASA-N 1 1 294.420 3.421 20 30 CGEDMO C=CC[C@H](C)[N@@H+]1CCC[C@@H]1c1nc(C(=O)OCC)cs1 ZINC000878504208 635533479 /nfs/dbraw/zinc/53/34/79/635533479.db2.gz DVQZLGCAFWLAQL-WCQYABFASA-N 1 1 294.420 3.421 20 30 CGEDMO C[C@@H]1CCOCC[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000811506889 631076906 /nfs/dbraw/zinc/07/69/06/631076906.db2.gz JJQUSHOFIAJHQU-LLVKDONJSA-N 1 1 298.308 3.188 20 30 CGEDMO C[C@@H]1CCOCC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000811506889 631076914 /nfs/dbraw/zinc/07/69/14/631076914.db2.gz JJQUSHOFIAJHQU-LLVKDONJSA-N 1 1 298.308 3.188 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000811510748 631080383 /nfs/dbraw/zinc/08/03/83/631080383.db2.gz NYYKQQVJLWAGEZ-ZWKOTPCHSA-N 1 1 299.414 3.088 20 30 CGEDMO C=CCCCCCCCNC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000811589560 631088269 /nfs/dbraw/zinc/08/82/69/631088269.db2.gz ARUBHIBQUADSAA-MRXNPFEDSA-N 1 1 278.440 3.256 20 30 CGEDMO C=CCCCCCCCNC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000811892243 631130258 /nfs/dbraw/zinc/13/02/58/631130258.db2.gz OFHHDLRUFZTFKM-MRXNPFEDSA-N 1 1 295.471 3.154 20 30 CGEDMO C=CCCCCCCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000811892548 631130867 /nfs/dbraw/zinc/13/08/67/631130867.db2.gz WDUDBQFTTJQTKO-JKSUJKDBSA-N 1 1 295.471 3.295 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1ccc(OC)c(C#N)c1)c1ccc(F)cc1 ZINC000812793774 631311771 /nfs/dbraw/zinc/31/17/71/631311771.db2.gz DLLDVKLPAZECDO-QGZVFWFLSA-N 1 1 294.329 3.170 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)CCCCCn1c(C)nc2ccccc21 ZINC000812837383 631323043 /nfs/dbraw/zinc/32/30/43/631323043.db2.gz FCRAQIJZIAQZDR-HNNXBMFYSA-N 1 1 283.419 3.469 20 30 CGEDMO CCOc1ccc(NN=Cc2[nH+]c(C)n3ccccc23)cc1 ZINC000814984141 631701430 /nfs/dbraw/zinc/70/14/30/631701430.db2.gz KTNIXLRHPVFUAS-UHFFFAOYSA-N 1 1 294.358 3.487 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@@H+]2Cc3ccc(Br)cc3C2)C1 ZINC000815092680 631715337 /nfs/dbraw/zinc/71/53/37/631715337.db2.gz OAOCHXVAPIPXSF-QMTHXVAHSA-N 1 1 291.192 3.457 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2Cc3ccc(Br)cc3C2)C1 ZINC000815092680 631715342 /nfs/dbraw/zinc/71/53/42/631715342.db2.gz OAOCHXVAPIPXSF-QMTHXVAHSA-N 1 1 291.192 3.457 20 30 CGEDMO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816598479 632020673 /nfs/dbraw/zinc/02/06/73/632020673.db2.gz DSHQIATYKKBCIU-ZUZCIYMTSA-N 1 1 299.773 3.256 20 30 CGEDMO Cc1cc(Cl)cc(C[N@@H+](C)CC(C)(C)C#N)c1O ZINC000816633081 632028332 /nfs/dbraw/zinc/02/83/32/632028332.db2.gz MSUUXHUBQYQZFF-UHFFFAOYSA-N 1 1 266.772 3.336 20 30 CGEDMO Cc1cc(Cl)cc(C[N@H+](C)CC(C)(C)C#N)c1O ZINC000816633081 632028334 /nfs/dbraw/zinc/02/83/34/632028334.db2.gz MSUUXHUBQYQZFF-UHFFFAOYSA-N 1 1 266.772 3.336 20 30 CGEDMO COc1ccc(C[N@H+]2C[C@@H](C)[C@H]2C)cc1OCCCC#N ZINC000816647438 632033047 /nfs/dbraw/zinc/03/30/47/632033047.db2.gz SBUCNIKMWVNCSC-ZIAGYGMSSA-N 1 1 288.391 3.218 20 30 CGEDMO C[C@@H]1[C@@H](C)C[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000816648200 632036307 /nfs/dbraw/zinc/03/63/07/632036307.db2.gz GLKKQXIJAZFNDB-UONOGXRCSA-N 1 1 258.365 3.209 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879432750 635786881 /nfs/dbraw/zinc/78/68/81/635786881.db2.gz FYKCHVQYWKFDEW-UHFFFAOYSA-N 1 1 289.382 3.413 20 30 CGEDMO CN(C)c1[nH+]cc(/C=C/C(=O)c2ccc(Cl)cc2)n1C ZINC000821021097 632713496 /nfs/dbraw/zinc/71/34/96/632713496.db2.gz DEGRBFOZQQDRNL-CMDGGOBGSA-N 1 1 289.766 3.036 20 30 CGEDMO COc1ccc(C)cc1C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866289520 633067423 /nfs/dbraw/zinc/06/74/23/633067423.db2.gz HPFKJWFEIMWCOR-ZDUSSCGKSA-N 1 1 296.370 3.432 20 30 CGEDMO C#CCCC[N@@H+]1CCCC[C@H]1CCC(=O)OC(C)(C)C ZINC000823239457 633080503 /nfs/dbraw/zinc/08/05/03/633080503.db2.gz KUYPOYCJZXJBDD-HNNXBMFYSA-N 1 1 279.424 3.376 20 30 CGEDMO CCC[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1cc(C)ccn1 ZINC000866343393 633090276 /nfs/dbraw/zinc/09/02/76/633090276.db2.gz JPYUJCBVIOCDFH-MRXNPFEDSA-N 1 1 280.375 3.288 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)c1cccc(F)c1 ZINC000823618680 633128014 /nfs/dbraw/zinc/12/80/14/633128014.db2.gz UJCDBPYPBROYDX-ACJLOTCBSA-N 1 1 298.361 3.424 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000866583132 633202530 /nfs/dbraw/zinc/20/25/30/633202530.db2.gz PAEFHBBVQWMTCJ-WQVCFCJDSA-N 1 1 272.417 3.304 20 30 CGEDMO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cc(F)ncc1F ZINC000824301958 633227317 /nfs/dbraw/zinc/22/73/17/633227317.db2.gz IVEIKOPDJDMKKA-HNNXBMFYSA-N 1 1 285.297 3.009 20 30 CGEDMO CCCCCCCCNC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000868439864 633324088 /nfs/dbraw/zinc/32/40/88/633324088.db2.gz YHKFVDGPGSAEGS-JKSUJKDBSA-N 1 1 295.471 3.083 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC[C@]3(CCSC3)C2)cc1 ZINC000825215059 633335802 /nfs/dbraw/zinc/33/58/02/633335802.db2.gz FOPYYBLJCOGPOX-KRWDZBQOSA-N 1 1 271.429 3.387 20 30 CGEDMO C=CCC1(C(=O)NCCn2cc[nH+]c2C(C)C)CCCC1 ZINC000825600578 633367062 /nfs/dbraw/zinc/36/70/62/633367062.db2.gz MWARUXGTNQXTQA-UHFFFAOYSA-N 1 1 289.423 3.259 20 30 CGEDMO C#CCCCCC(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000826667945 633424985 /nfs/dbraw/zinc/42/49/85/633424985.db2.gz QYJMPKQTBIYALN-QGZVFWFLSA-N 1 1 290.451 3.093 20 30 CGEDMO CC(C)c1ncc(C[N@@H+]2CCC[C@@H](CC#N)C2)s1 ZINC000826861507 633437848 /nfs/dbraw/zinc/43/78/48/633437848.db2.gz GJBUPBUIXFVKKO-LBPRGKRZSA-N 1 1 263.410 3.392 20 30 CGEDMO CC(C)c1ncc(C[N@H+]2CCC[C@@H](CC#N)C2)s1 ZINC000826861507 633437849 /nfs/dbraw/zinc/43/78/49/633437849.db2.gz GJBUPBUIXFVKKO-LBPRGKRZSA-N 1 1 263.410 3.392 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000827079006 633454756 /nfs/dbraw/zinc/45/47/56/633454756.db2.gz SOGYSDYFCCLUBO-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C#CC[N@H+](CC/C=C\c1cncc(OC)c1)C1CCCC1 ZINC000827990492 633546141 /nfs/dbraw/zinc/54/61/41/633546141.db2.gz LMEKUNPTTLIBLW-VURMDHGXSA-N 1 1 284.403 3.371 20 30 CGEDMO C[C@H](C[C@H]1CCCC[N@H+]1C)OC(=O)CCCCCC#N ZINC000870785297 633646062 /nfs/dbraw/zinc/64/60/62/633646062.db2.gz NQHWXXKECQRJRB-HUUCEWRRSA-N 1 1 280.412 3.267 20 30 CGEDMO C=CCCCC[N@@H+]1CCn2c(C(C)C)nnc2[C@@H]1C ZINC000829112474 633696212 /nfs/dbraw/zinc/69/62/12/633696212.db2.gz AZWBOOOYUUXPFS-ZDUSSCGKSA-N 1 1 262.401 3.134 20 30 CGEDMO C=CCCCC[N@H+]1CCn2c(C(C)C)nnc2[C@@H]1C ZINC000829112474 633696216 /nfs/dbraw/zinc/69/62/16/633696216.db2.gz AZWBOOOYUUXPFS-ZDUSSCGKSA-N 1 1 262.401 3.134 20 30 CGEDMO CC#CCCCC(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC000888573186 633772425 /nfs/dbraw/zinc/77/24/25/633772425.db2.gz FCODUSSQMJLPQO-UHFFFAOYSA-N 1 1 285.391 3.204 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(CC)c2ccccc2)C1 ZINC000829769664 633778584 /nfs/dbraw/zinc/77/85/84/633778584.db2.gz YVABRPHQGMUBGE-IAGOWNOFSA-N 1 1 298.430 3.163 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2nnc(-c3cccc(F)c3)o2)C1 ZINC000829784421 633783096 /nfs/dbraw/zinc/78/30/96/633783096.db2.gz JWHLRAJMGLSBQV-CYBMUJFWSA-N 1 1 299.349 3.111 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](CC(=O)Nc2cccc(Cl)c2)C1 ZINC000829779554 633783150 /nfs/dbraw/zinc/78/31/50/633783150.db2.gz WRFZLQPQIJGHJT-ZDUSSCGKSA-N 1 1 290.794 3.014 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](C[C@@H](O)c2cc(C)cc(C)c2)C1 ZINC000829785563 633784604 /nfs/dbraw/zinc/78/46/04/633784604.db2.gz WHNXFXOVRGLUGQ-FUHWJXTLSA-N 1 1 271.404 3.072 20 30 CGEDMO C#CCCC[N@@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000829804825 633789280 /nfs/dbraw/zinc/78/92/80/633789280.db2.gz KVAAGMAKZUWAAL-UHFFFAOYSA-N 1 1 276.811 3.266 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](C[C@]2(C)CC2(Cl)Cl)C1 ZINC000829815203 633795294 /nfs/dbraw/zinc/79/52/94/633795294.db2.gz HDDDJJIXXPATLM-NEPJUHHUSA-N 1 1 260.208 3.306 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc(C)nc(Cl)c2)C1 ZINC000829815526 633796512 /nfs/dbraw/zinc/79/65/12/633796512.db2.gz NMVRUNFBVUJWCN-CYBMUJFWSA-N 1 1 262.784 3.279 20 30 CGEDMO CCCCCCCCCC(=O)N1CC[NH2+]C[C@](C)(F)C1 ZINC000834817521 634246701 /nfs/dbraw/zinc/24/67/01/634246701.db2.gz UIKPIUUWRAGXCP-INIZCTEOSA-N 1 1 286.435 3.287 20 30 CGEDMO CC(=[NH+]N[C@@H](C)C(F)(F)F)c1ccccc1N(C)C ZINC000834997964 634306029 /nfs/dbraw/zinc/30/60/29/634306029.db2.gz ODVDRRFSSFQEQB-JTQLQIEISA-N 1 1 273.302 3.017 20 30 CGEDMO CSc1ccc(N=NC2CCC[N@@H+](C)CC2)cc1 ZINC000834998763 634306962 /nfs/dbraw/zinc/30/69/62/634306962.db2.gz LVTKLOXVPNHZOE-UHFFFAOYSA-N 1 1 263.410 3.292 20 30 CGEDMO C#CCCCCCC[N@@H+](C)C1CCN(CCC)CC1 ZINC000876623081 634870101 /nfs/dbraw/zinc/87/01/01/634870101.db2.gz BWNPCFWBYDAJAD-UHFFFAOYSA-N 1 1 264.457 3.376 20 30 CGEDMO C#CCCCCCC[N@H+](C)C1CCN(CCC)CC1 ZINC000876623081 634870104 /nfs/dbraw/zinc/87/01/04/634870104.db2.gz BWNPCFWBYDAJAD-UHFFFAOYSA-N 1 1 264.457 3.376 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876752970 634893102 /nfs/dbraw/zinc/89/31/02/634893102.db2.gz FERDCELNTWZLPL-UHFFFAOYSA-N 1 1 288.435 3.046 20 30 CGEDMO C#C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000877541495 635080509 /nfs/dbraw/zinc/08/05/09/635080509.db2.gz OXGPRSRMESURCV-MAZHCROVSA-N 1 1 276.811 3.087 20 30 CGEDMO C#CCCCCCC[NH2+]Cc1ccc2cncn2c1 ZINC000877583677 635102140 /nfs/dbraw/zinc/10/21/40/635102140.db2.gz LLHNQONHNZONQZ-UHFFFAOYSA-N 1 1 255.365 3.008 20 30 CGEDMO CCOc1cc(F)cc(C[NH2+]CC2(C#N)CCC2)c1 ZINC000877594112 635106116 /nfs/dbraw/zinc/10/61/16/635106116.db2.gz BUUNEVCLOGSMCG-UHFFFAOYSA-N 1 1 262.328 3.008 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C ZINC000877621387 635116718 /nfs/dbraw/zinc/11/67/18/635116718.db2.gz VQUQNFTZGYJIEG-ZDUSSCGKSA-N 1 1 297.443 3.161 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cnc3c(F)cccc3c2)C1 ZINC000877651100 635132728 /nfs/dbraw/zinc/13/27/28/635132728.db2.gz RUDNOSDCVQZDJH-ZDUSSCGKSA-N 1 1 268.335 3.219 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1cnc(C2CC2)o1 ZINC000877704639 635157492 /nfs/dbraw/zinc/15/74/92/635157492.db2.gz KYHHQBVHLSUGMD-UHFFFAOYSA-N 1 1 281.359 3.098 20 30 CGEDMO COCCON=C1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000841627909 635201518 /nfs/dbraw/zinc/20/15/18/635201518.db2.gz GGQWKJZNPCATTP-KRWDZBQOSA-N 1 1 288.391 3.005 20 30 CGEDMO Cc1csc([C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)n1 ZINC000877813636 635220211 /nfs/dbraw/zinc/22/02/11/635220211.db2.gz NAIQRXPEUHFPDK-HNNXBMFYSA-N 1 1 283.400 3.313 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000877935328 635278969 /nfs/dbraw/zinc/27/89/69/635278969.db2.gz JNDUFNZKSXFOTH-CRAIPNDOSA-N 1 1 284.403 3.301 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H]1C[C@@H](OC)C1 ZINC000877961981 635290064 /nfs/dbraw/zinc/29/00/64/635290064.db2.gz UWIVZWCNKBHDCR-CALCHBBNSA-N 1 1 272.392 3.195 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](C)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000842167370 635302625 /nfs/dbraw/zinc/30/26/25/635302625.db2.gz PYQFPGMMOYZFAK-MGPQQGTHSA-N 1 1 252.402 3.062 20 30 CGEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)CC(C)C)c1ccccc1 ZINC000878000696 635312243 /nfs/dbraw/zinc/31/22/43/635312243.db2.gz GKDIUQPTZZXKTF-KRWDZBQOSA-N 1 1 272.392 3.015 20 30 CGEDMO C#CCCCCC[N@H+]1CCC[C@@H]1CN1CCCCC1 ZINC000878046092 635336136 /nfs/dbraw/zinc/33/61/36/635336136.db2.gz QRIDOLKNWFGDMJ-QGZVFWFLSA-N 1 1 262.441 3.130 20 30 CGEDMO C#CCCCCCN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000878046092 635336144 /nfs/dbraw/zinc/33/61/44/635336144.db2.gz QRIDOLKNWFGDMJ-QGZVFWFLSA-N 1 1 262.441 3.130 20 30 CGEDMO C#CCCCCC[N@@H+](C)Cc1nccn1CC(F)(F)F ZINC000878048403 635337238 /nfs/dbraw/zinc/33/72/38/635337238.db2.gz SCBDPWZNXUXRMN-UHFFFAOYSA-N 1 1 287.329 3.071 20 30 CGEDMO C#CCCCCC[N@H+](C)Cc1nccn1CC(F)(F)F ZINC000878048403 635337244 /nfs/dbraw/zinc/33/72/44/635337244.db2.gz SCBDPWZNXUXRMN-UHFFFAOYSA-N 1 1 287.329 3.071 20 30 CGEDMO C=CC[C@@H](C)[N@@H+](CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000878048431 635337293 /nfs/dbraw/zinc/33/72/93/635337293.db2.gz PFNOTYXFZMPSMQ-CQSZACIVSA-N 1 1 274.408 3.175 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@@H]1CCC2(CCOCC2)O1 ZINC000878123839 635368226 /nfs/dbraw/zinc/36/82/26/635368226.db2.gz CQIPDULTVHNDCD-INIZCTEOSA-N 1 1 281.440 3.393 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@H+]1C[C@@H](C)C[C@@H]1C)c1ccccc1 ZINC000878126492 635368643 /nfs/dbraw/zinc/36/86/43/635368643.db2.gz QAFFZSIVPUFBLR-RLFYNMQTSA-N 1 1 284.403 3.157 20 30 CGEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCC(C)(C)C1)c1ccccc1 ZINC000878149289 635379329 /nfs/dbraw/zinc/37/93/29/635379329.db2.gz MYOKOLOIOIGIGI-SFHVURJKSA-N 1 1 284.403 3.159 20 30 CGEDMO CC(C)[C@H](O)CC[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000878154080 635384026 /nfs/dbraw/zinc/38/40/26/635384026.db2.gz UMBYWPFVSIMJBI-OKZBNKHCSA-N 1 1 286.419 3.165 20 30 CGEDMO CCCON=C(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000842554828 635402340 /nfs/dbraw/zinc/40/23/40/635402340.db2.gz RGNAPVUFSYGUOZ-MRXNPFEDSA-N 1 1 260.381 3.311 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cc(OC)cc(CC=C)c2O)C1 ZINC000842627927 635419781 /nfs/dbraw/zinc/41/97/81/635419781.db2.gz OSMAYJGLBHLJPI-HNNXBMFYSA-N 1 1 299.414 3.365 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@H](C)C(=O)Nc1c(C)cccc1Cl ZINC000878383793 635483094 /nfs/dbraw/zinc/48/30/94/635483094.db2.gz VYFJAOWPWUABAY-GFCCVEGCSA-N 1 1 280.799 3.483 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1c(C)cccc1Cl ZINC000878383793 635483108 /nfs/dbraw/zinc/48/31/08/635483108.db2.gz VYFJAOWPWUABAY-GFCCVEGCSA-N 1 1 280.799 3.483 20 30 CGEDMO CC1(C)CCc2onc(C[NH+]3CCC(CC#N)CC3)c2C1 ZINC000878397897 635488035 /nfs/dbraw/zinc/48/80/35/635488035.db2.gz ZJJZSXGLNRLYIW-UHFFFAOYSA-N 1 1 287.407 3.315 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCC(C)=C(C)C1)c1ccccc1 ZINC000878545147 635552804 /nfs/dbraw/zinc/55/28/04/635552804.db2.gz GBENMDRRVLWVCM-LJQANCHMSA-N 1 1 296.414 3.469 20 30 CGEDMO C#CCCCCC[N@@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000878563167 635557296 /nfs/dbraw/zinc/55/72/96/635557296.db2.gz NRYIHLTVFKAQPD-LJQANCHMSA-N 1 1 285.431 3.206 20 30 CGEDMO C=C(C)C[N@H+](CC[C@H](O)C(C)C)Cc1cnn(C(C)C)c1 ZINC000878607966 635567622 /nfs/dbraw/zinc/56/76/22/635567622.db2.gz BBFTWAMMAWGOBB-KRWDZBQOSA-N 1 1 293.455 3.249 20 30 CGEDMO C#CCCCCC[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000878729308 635619402 /nfs/dbraw/zinc/61/94/02/635619402.db2.gz FZMCBCMEHOWEGY-KRWDZBQOSA-N 1 1 275.436 3.461 20 30 CGEDMO C#CCCCCC[N@@H+]1CCN(C)C[C@@H]1Cc1ccccc1 ZINC000878807814 635634416 /nfs/dbraw/zinc/63/44/16/635634416.db2.gz HXMLXJLEJCXXPQ-IBGZPJMESA-N 1 1 284.447 3.039 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](C[C@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000878843907 635640508 /nfs/dbraw/zinc/64/05/08/635640508.db2.gz LZCDMZVYEKBLNZ-NXHRZFHOSA-N 1 1 269.388 3.252 20 30 CGEDMO N#C[C@@]1(c2ccccn2)CCC[N@H+](CCCC2CC2)C1 ZINC000878887782 635649435 /nfs/dbraw/zinc/64/94/35/635649435.db2.gz HSNKRZUDRPJZBW-KRWDZBQOSA-N 1 1 269.392 3.129 20 30 CGEDMO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CCCC2CC2)C1 ZINC000878887782 635649440 /nfs/dbraw/zinc/64/94/40/635649440.db2.gz HSNKRZUDRPJZBW-KRWDZBQOSA-N 1 1 269.392 3.129 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000878937325 635660472 /nfs/dbraw/zinc/66/04/72/635660472.db2.gz SWGVLAJOAXRNBX-HYVNUMGLSA-N 1 1 259.393 3.049 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cnc(Cl)c(C)c2)C1 ZINC000843423986 635668344 /nfs/dbraw/zinc/66/83/44/635668344.db2.gz NLUUGOAYWASXNX-CYBMUJFWSA-N 1 1 262.784 3.279 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(O)c(OCC)c2)C1 ZINC000843423814 635668903 /nfs/dbraw/zinc/66/89/03/635668903.db2.gz RKALJSXBEKSISE-CQSZACIVSA-N 1 1 273.376 3.026 20 30 CGEDMO CO[C@H]1CC[C@H](C)[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000879324405 635758967 /nfs/dbraw/zinc/75/89/67/635758967.db2.gz HPBKHZAEEQICEK-GJZGRUSLSA-N 1 1 264.413 3.350 20 30 CGEDMO C[C@@H]1CCC[C@H](C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)C1 ZINC000844365303 635881279 /nfs/dbraw/zinc/88/12/79/635881279.db2.gz DOBJHAMURNXRTM-UWWQBHOKSA-N 1 1 286.419 3.350 20 30 CGEDMO C[N@@H+](CCCC1CCCC1)C[C@H](O)c1cccc(C#N)c1 ZINC000844370027 635882623 /nfs/dbraw/zinc/88/26/23/635882623.db2.gz PLYABSSQFSUMHK-SFHVURJKSA-N 1 1 286.419 3.494 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000844374309 635883619 /nfs/dbraw/zinc/88/36/19/635883619.db2.gz XUMMYCSHZNFVOV-CQSZACIVSA-N 1 1 286.202 3.376 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000844374309 635883625 /nfs/dbraw/zinc/88/36/25/635883625.db2.gz XUMMYCSHZNFVOV-CQSZACIVSA-N 1 1 286.202 3.376 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844435326 635899841 /nfs/dbraw/zinc/89/98/41/635899841.db2.gz CBEZIWDKYLOHFW-CQSZACIVSA-N 1 1 280.293 3.319 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844435326 635899848 /nfs/dbraw/zinc/89/98/48/635899848.db2.gz CBEZIWDKYLOHFW-CQSZACIVSA-N 1 1 280.293 3.319 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844455589 635907902 /nfs/dbraw/zinc/90/79/02/635907902.db2.gz RNARTZHIHAWXIK-OKILXGFUSA-N 1 1 276.330 3.185 20 30 CGEDMO C=C[C@@H](C)ON=C(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000844621907 635943975 /nfs/dbraw/zinc/94/39/75/635943975.db2.gz PNIQBHCEOOHUCF-PBHICJAKSA-N 1 1 272.392 3.476 20 30 CGEDMO C[C@H](c1ccccc1)N1CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000880251065 635956523 /nfs/dbraw/zinc/95/65/23/635956523.db2.gz PQXPEBIXXVSYLD-JKSUJKDBSA-N 1 1 271.408 3.057 20 30 CGEDMO COc1cccc([C@@H]2CC[N@@H+](CCC#N)C2(C)C)c1 ZINC000880285399 635962926 /nfs/dbraw/zinc/96/29/26/635962926.db2.gz SEQRWIRYOIRVME-HNNXBMFYSA-N 1 1 258.365 3.177 20 30 CGEDMO C=CCCC[C@H]([NH2+]Cc1cn(C)nn1)c1ccccc1 ZINC000880390659 635991885 /nfs/dbraw/zinc/99/18/85/635991885.db2.gz SLOIYGHUFHCKRD-INIZCTEOSA-N 1 1 270.380 3.002 20 30 CGEDMO C=CCCC[C@H]([NH2+]CCc1c[nH]nn1)c1ccccc1 ZINC000880390667 635992158 /nfs/dbraw/zinc/99/21/58/635992158.db2.gz SXJVOOJOSBMGTB-INIZCTEOSA-N 1 1 270.380 3.034 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)cc1C)[C@@H](CO)c1ccccc1 ZINC000880463197 636005820 /nfs/dbraw/zinc/00/58/20/636005820.db2.gz LIFNPNCCUOTQIV-IBGZPJMESA-N 1 1 294.398 3.422 20 30 CGEDMO CC[N@@H+](CCc1ccc(C#N)cc1)[C@H](CO)c1ccccc1 ZINC000880463291 636006036 /nfs/dbraw/zinc/00/60/36/636006036.db2.gz PFUXTAPQGQRXJH-LJQANCHMSA-N 1 1 294.398 3.156 20 30 CGEDMO CC(C)(C#N)CCCCN1CCC(C)([NH+]2CCC2)CC1 ZINC000880473487 636007423 /nfs/dbraw/zinc/00/74/23/636007423.db2.gz FZTYWVYTESLTPO-UHFFFAOYSA-N 1 1 277.456 3.267 20 30 CGEDMO CC(C)(C#N)CCCC[NH+]1CCC(C)(N2CCC2)CC1 ZINC000880473487 636007426 /nfs/dbraw/zinc/00/74/26/636007426.db2.gz FZTYWVYTESLTPO-UHFFFAOYSA-N 1 1 277.456 3.267 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c1 ZINC000846108780 636144679 /nfs/dbraw/zinc/14/46/79/636144679.db2.gz QCWDTFQLVVKVRO-LBPRGKRZSA-N 1 1 268.332 3.241 20 30 CGEDMO C=CCCn1cc(C[N@H+]2C[C@@H](C)C[C@H]2c2ccccc2)nn1 ZINC000846904362 636277002 /nfs/dbraw/zinc/27/70/02/636277002.db2.gz UDJHXYPMTXGEKF-YJBOKZPZSA-N 1 1 296.418 3.437 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000846990184 636301648 /nfs/dbraw/zinc/30/16/48/636301648.db2.gz BHIBJSLAYHIIEN-CQSZACIVSA-N 1 1 284.359 3.192 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2nc3ccc(OC)cc3s2)C1 ZINC000847022585 636313897 /nfs/dbraw/zinc/31/38/97/636313897.db2.gz VEJZNSWGGLKHTI-LBPRGKRZSA-N 1 1 286.400 3.150 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2nc3ccc(OC)cc3s2)C1 ZINC000847022585 636313901 /nfs/dbraw/zinc/31/39/01/636313901.db2.gz VEJZNSWGGLKHTI-LBPRGKRZSA-N 1 1 286.400 3.150 20 30 CGEDMO C#C[C@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000847023127 636314727 /nfs/dbraw/zinc/31/47/27/636314727.db2.gz BAWRDSKZDBXRBY-AWEZNQCLSA-N 1 1 257.764 3.037 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3C)o2)C1 ZINC000847023742 636315007 /nfs/dbraw/zinc/31/50/07/636315007.db2.gz FJARVVKNLWIMNL-OAHLLOKOSA-N 1 1 280.371 3.495 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ncc(-c3ccccc3C)o2)C1 ZINC000847023742 636315009 /nfs/dbraw/zinc/31/50/09/636315009.db2.gz FJARVVKNLWIMNL-OAHLLOKOSA-N 1 1 280.371 3.495 20 30 CGEDMO CC(C)c1c[nH]c(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)n1 ZINC000883106221 636542313 /nfs/dbraw/zinc/54/23/13/636542313.db2.gz LSHWOPKEBKAHIJ-OAHLLOKOSA-N 1 1 280.375 3.182 20 30 CGEDMO CC[C@H](C)C[N@@H+](C)Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000131156501 636564999 /nfs/dbraw/zinc/56/49/99/636564999.db2.gz DNTTYKWLRIPOGY-ZDUSSCGKSA-N 1 1 297.406 3.061 20 30 CGEDMO O=[N+]([O-])c1ccccc1N=NC1CCC[N@H+]2CCCC[C@H]12 ZINC000848399342 636567092 /nfs/dbraw/zinc/56/70/92/636567092.db2.gz OFKOPCJBPVJUHF-CQSZACIVSA-N 1 1 288.351 3.011 20 30 CGEDMO c1ccc2c(c1)cnnc2N=NC1CCC[N@@H+]2CCCC[C@H]12 ZINC000848399363 636567207 /nfs/dbraw/zinc/56/72/07/636567207.db2.gz OYQPDVXVANXDLD-MRXNPFEDSA-N 1 1 295.390 3.046 20 30 CGEDMO COc1ccc(N=NC2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000848407307 636568860 /nfs/dbraw/zinc/56/88/60/636568860.db2.gz OPQREYFHGIIIQM-INIZCTEOSA-N 1 1 273.380 3.111 20 30 CGEDMO C=CCC[C@@H]([NH2+]Cc1cn[nH]c1C)[C@@H]1Cc2ccccc2O1 ZINC000883205095 636583403 /nfs/dbraw/zinc/58/34/03/636583403.db2.gz ONZNJCFPVPWUBU-AEFFLSMTSA-N 1 1 297.402 3.146 20 30 CGEDMO C#CC[C@H]([NH2+][C@@H]1CCCn2ccnc21)c1ccccc1 ZINC000848535604 636593782 /nfs/dbraw/zinc/59/37/82/636593782.db2.gz DYWHNMZFYWHDFR-JKSUJKDBSA-N 1 1 265.360 3.072 20 30 CGEDMO C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ncc[nH]1 ZINC000848567187 636610524 /nfs/dbraw/zinc/61/05/24/636610524.db2.gz QLSGFTPLHISOGV-LBPRGKRZSA-N 1 1 266.348 3.011 20 30 CGEDMO CCC[C@H](C)c1noc([C@@H]([NH3+])CCCCC#N)n1 ZINC000848621867 636617892 /nfs/dbraw/zinc/61/78/92/636617892.db2.gz PDMGYIIUXXRODJ-QWRGUYRKSA-N 1 1 250.346 3.057 20 30 CGEDMO Cc1cccc(-c2noc([C@H]([NH3+])CCCCC#N)n2)c1 ZINC000848618814 636619399 /nfs/dbraw/zinc/61/93/99/636619399.db2.gz WETQCUSACJSQTJ-CYBMUJFWSA-N 1 1 270.336 3.129 20 30 CGEDMO CCC1(c2noc([C@@H]([NH3+])CCCCC#N)n2)CCCC1 ZINC000848629031 636623963 /nfs/dbraw/zinc/62/39/63/636623963.db2.gz VMQLRJCFDHDLFW-LBPRGKRZSA-N 1 1 276.384 3.375 20 30 CGEDMO CC(C)(C)CCc1noc([C@@H]([NH3+])CCCCC#N)n1 ZINC000848631726 636624284 /nfs/dbraw/zinc/62/42/84/636624284.db2.gz JRDVTNOBUIINMG-NSHDSACASA-N 1 1 264.373 3.132 20 30 CGEDMO N#Cc1cc(NCc2c[nH+]c3n2CCC3)ccc1C1CC1 ZINC000883339445 636685580 /nfs/dbraw/zinc/68/55/80/636685580.db2.gz UKFVOFDFBATVHT-UHFFFAOYSA-N 1 1 278.359 3.190 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cnc(Cl)n1C ZINC000848918218 636691367 /nfs/dbraw/zinc/69/13/67/636691367.db2.gz SIVCPMMCKCNXFQ-LLVKDONJSA-N 1 1 288.782 3.138 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cnc(Cl)n1C ZINC000848918218 636691370 /nfs/dbraw/zinc/69/13/70/636691370.db2.gz SIVCPMMCKCNXFQ-LLVKDONJSA-N 1 1 288.782 3.138 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2c(C)nn(CCCC)c2Cl)C1 ZINC000848922954 636693750 /nfs/dbraw/zinc/69/37/50/636693750.db2.gz ADHLIZIKFXXEAM-AWEZNQCLSA-N 1 1 293.842 3.490 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2c(C)nn(CCCC)c2Cl)C1 ZINC000848922954 636693771 /nfs/dbraw/zinc/69/37/71/636693771.db2.gz ADHLIZIKFXXEAM-AWEZNQCLSA-N 1 1 293.842 3.490 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(OC(C)C)c(OC)c2)C1 ZINC000848923836 636695583 /nfs/dbraw/zinc/69/55/83/636695583.db2.gz QXZRQEMYCJRFDJ-OAHLLOKOSA-N 1 1 287.403 3.328 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](C[C@H](C)c2ccc(OC)cc2)C1 ZINC000848924088 636695913 /nfs/dbraw/zinc/69/59/13/636695913.db2.gz NHSYLKIXEWHZOD-LSDHHAIUSA-N 1 1 257.377 3.144 20 30 CGEDMO C=C(C)C[C@H](CO)[NH2+][C@H](CCc1ccccc1)C(F)F ZINC000883390692 636734527 /nfs/dbraw/zinc/73/45/27/636734527.db2.gz RNNPRDFISIGVEP-HUUCEWRRSA-N 1 1 283.362 3.170 20 30 CGEDMO CC1(C)Nc2ccccc2[C@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000883465556 636763932 /nfs/dbraw/zinc/76/39/32/636763932.db2.gz SFBUEVVEZRWCPW-OAHLLOKOSA-N 1 1 267.332 3.186 20 30 CGEDMO CC[C@@H]1CC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000134983322 637060733 /nfs/dbraw/zinc/06/07/33/637060733.db2.gz QZAQQFDBZNJYRD-CQSZACIVSA-N 1 1 258.365 3.059 20 30 CGEDMO C#CC[C@@H]1CCN(c2cc(C(F)(F)F)cc(C)[nH+]2)C1 ZINC000884595658 637088483 /nfs/dbraw/zinc/08/84/83/637088483.db2.gz LIGFYINWKDWGHE-LLVKDONJSA-N 1 1 268.282 3.258 20 30 CGEDMO CSc1ccc(CNc2cc(C)[nH+]c(C)n2)cc1C#N ZINC000884643776 637106651 /nfs/dbraw/zinc/10/66/51/637106651.db2.gz RVCNMXSDSBLQST-UHFFFAOYSA-N 1 1 284.388 3.299 20 30 CGEDMO CCc1ccc(C[N@@H+](C)C[C@H](O)CC2(C#N)CCC2)cc1 ZINC000885943248 637323703 /nfs/dbraw/zinc/32/37/03/637323703.db2.gz ZUVUTCGTOGGEON-QGZVFWFLSA-N 1 1 286.419 3.126 20 30 CGEDMO C[N@H+](Cc1ccc(Cl)cc1)C[C@H](O)CC1(C#N)CCC1 ZINC000885946268 637324985 /nfs/dbraw/zinc/32/49/85/637324985.db2.gz HBQWJHCOAFTYOG-OAHLLOKOSA-N 1 1 292.810 3.217 20 30 CGEDMO CCCCC[N@@H+](C[C@H](O)CC1(C#N)CCC1)C(C)C ZINC000885951836 637327355 /nfs/dbraw/zinc/32/73/55/637327355.db2.gz QCPJJOFZXIDOEG-OAHLLOKOSA-N 1 1 266.429 3.332 20 30 CGEDMO C[C@@H](c1ccccc1F)[N@@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000885959032 637331706 /nfs/dbraw/zinc/33/17/06/637331706.db2.gz QUFHKQWWCLBPMS-UONOGXRCSA-N 1 1 290.382 3.263 20 30 CGEDMO CCC1CCC([N@@H+](C)C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000886030269 637373921 /nfs/dbraw/zinc/37/39/21/637373921.db2.gz IDDMQTJRGIVPBM-GPANFISMSA-N 1 1 278.440 3.332 20 30 CGEDMO CCCCC[C@H]1CCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886043779 637383613 /nfs/dbraw/zinc/38/36/13/637383613.db2.gz JORVORIVKJXSTR-JKSUJKDBSA-N 1 1 278.440 3.476 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@H]3C[C@@]34CCOC4)CC2)cc1 ZINC000886100535 637412531 /nfs/dbraw/zinc/41/25/31/637412531.db2.gz QDEQIFPWKQSMIK-RTBURBONSA-N 1 1 294.398 3.074 20 30 CGEDMO N#CC1(C[C@H](O)C[N@H+]2CCCC3(CCCC3)C2)CCC1 ZINC000886160046 637442152 /nfs/dbraw/zinc/44/21/52/637442152.db2.gz IROPFHZPTGQIBR-HNNXBMFYSA-N 1 1 276.424 3.087 20 30 CGEDMO C=CC[C@@H]1[N@H+](C[C@H]2C[C@]23CCOC3)CCCC1(C)C ZINC000886173588 637447513 /nfs/dbraw/zinc/44/75/13/637447513.db2.gz UEHUSWAPYJJYAZ-VYDXJSESSA-N 1 1 263.425 3.480 20 30 CGEDMO C[C@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCC2)CCc2ccccc21 ZINC000886267476 637473505 /nfs/dbraw/zinc/47/35/05/637473505.db2.gz NSAUUTBHBHCVOB-DOTOQJQBSA-N 1 1 298.430 3.093 20 30 CGEDMO N#CC1(C[C@H](O)C[N@H+]2CC[C@H]2c2ccc(F)cc2)CCC1 ZINC000886279467 637481291 /nfs/dbraw/zinc/48/12/91/637481291.db2.gz ZNGJSSUUOMCZAR-HOTGVXAUSA-N 1 1 288.366 3.017 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@H+]2CC[C@@H]2c2ccc(F)cc2)CCC1 ZINC000886279468 637481492 /nfs/dbraw/zinc/48/14/92/637481492.db2.gz ZNGJSSUUOMCZAR-HZPDHXFCSA-N 1 1 288.366 3.017 20 30 CGEDMO CC[N@@H+](C[C@@H](O)c1ccccn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000851735851 637483537 /nfs/dbraw/zinc/48/35/37/637483537.db2.gz JDFSFYAXMUHNSN-KBXCAEBGSA-N 1 1 295.386 3.070 20 30 CGEDMO CC[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886285178 637483782 /nfs/dbraw/zinc/48/37/82/637483782.db2.gz AEZKJBHTEKOEJT-RRFJBIMHSA-N 1 1 264.413 3.084 20 30 CGEDMO C#CC[N@H+](CCO[C@H]1CC1(F)F)[C@H]1CCc2ccccc21 ZINC000851735650 637483767 /nfs/dbraw/zinc/48/37/67/637483767.db2.gz HNJWMTANDPWICT-HOTGVXAUSA-N 1 1 291.341 3.033 20 30 CGEDMO C#CCOCC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000851799694 637507767 /nfs/dbraw/zinc/50/77/67/637507767.db2.gz PHNKTFWNEWLJMM-MRXNPFEDSA-N 1 1 261.340 3.003 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CC[C@@H]2Cc2ccccc2)cc1 ZINC000851806198 637509346 /nfs/dbraw/zinc/50/93/46/637509346.db2.gz LCHYLPNTQSPIFO-LJQANCHMSA-N 1 1 276.383 3.418 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000852009525 637570750 /nfs/dbraw/zinc/57/07/50/637570750.db2.gz MPDXQIJXMMTIPK-KRWDZBQOSA-N 1 1 282.472 3.144 20 30 CGEDMO C#C[C@](C)(CC)[NH2+]Cc1ncc(-c2cccc(F)c2)o1 ZINC000852102727 637597966 /nfs/dbraw/zinc/59/79/66/637597966.db2.gz OXJFVRMMOZEJCK-MRXNPFEDSA-N 1 1 272.323 3.372 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cncc3ccccc32)C1 ZINC000852319968 637634395 /nfs/dbraw/zinc/63/43/95/637634395.db2.gz UGPFGMMOIYKUPK-CQSZACIVSA-N 1 1 265.360 3.360 20 30 CGEDMO CC/C=C/CC[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852332305 637636805 /nfs/dbraw/zinc/63/68/05/637636805.db2.gz QQBRUKUEXVGOTE-IDOMTICXSA-N 1 1 269.392 3.295 20 30 CGEDMO CC/C=C/CC[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852332305 637636809 /nfs/dbraw/zinc/63/68/09/637636809.db2.gz QQBRUKUEXVGOTE-IDOMTICXSA-N 1 1 269.392 3.295 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000111250901 637822437 /nfs/dbraw/zinc/82/24/37/637822437.db2.gz HFYAQYPTLBZWBL-OAHLLOKOSA-N 1 1 296.361 3.260 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000111250901 637822439 /nfs/dbraw/zinc/82/24/39/637822439.db2.gz HFYAQYPTLBZWBL-OAHLLOKOSA-N 1 1 296.361 3.260 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cn2sc3ccccc3c2=O)C1 ZINC000853536257 637863555 /nfs/dbraw/zinc/86/35/55/637863555.db2.gz QTQVZKFVGJCGTP-CYBMUJFWSA-N 1 1 288.416 3.309 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cn2sc3ccccc3c2=O)C1 ZINC000853536257 637863557 /nfs/dbraw/zinc/86/35/57/637863557.db2.gz QTQVZKFVGJCGTP-CYBMUJFWSA-N 1 1 288.416 3.309 20 30 CGEDMO C=CC[N@H+](Cn1nc(Cl)c2ccccc21)[C@@H](C)COC ZINC000853534641 637863599 /nfs/dbraw/zinc/86/35/99/637863599.db2.gz LDTIHSMXPCZFCO-LBPRGKRZSA-N 1 1 293.798 3.170 20 30 CGEDMO C=CC[N@@H+](Cn1nc(Cl)c2ccccc21)[C@@H](C)COC ZINC000853534641 637863602 /nfs/dbraw/zinc/86/36/02/637863602.db2.gz LDTIHSMXPCZFCO-LBPRGKRZSA-N 1 1 293.798 3.170 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cn2nccc2-c2ccncc2)C1 ZINC000853536384 637864498 /nfs/dbraw/zinc/86/44/98/637864498.db2.gz BNRRLXBNUCQERR-OAHLLOKOSA-N 1 1 282.391 3.191 20 30 CGEDMO N#CCC1(CO[NH+]=C(N)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000853647879 637881492 /nfs/dbraw/zinc/88/14/92/637881492.db2.gz HKANCIIGWYHFBC-UHFFFAOYSA-N 1 1 287.407 3.395 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1C#N ZINC000887993092 637944234 /nfs/dbraw/zinc/94/42/34/637944234.db2.gz FDIOALAOAJHBDY-AWEZNQCLSA-N 1 1 291.782 3.023 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccnn1C1CCC1 ZINC000924978908 638433710 /nfs/dbraw/zinc/43/37/10/638433710.db2.gz IVXHBGKGDAAGPB-GFCCVEGCSA-N 1 1 298.365 3.470 20 30 CGEDMO C=C(C)CCNC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000857278116 638486742 /nfs/dbraw/zinc/48/67/42/638486742.db2.gz KXBNFRMWMIAGNI-KRWDZBQOSA-N 1 1 286.419 3.192 20 30 CGEDMO C=CCC[C@@H]([NH2+][C@@H](C)c1cnn(C)n1)c1ccccc1 ZINC000925579533 638535987 /nfs/dbraw/zinc/53/59/87/638535987.db2.gz MAIZXNRVQATTSI-DZGCQCFKSA-N 1 1 270.380 3.173 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)C[C@H](O)c1cccc(OC)c1 ZINC000115534854 638565292 /nfs/dbraw/zinc/56/52/92/638565292.db2.gz QXZOWYOGOKYTOD-IBGZPJMESA-N 1 1 297.398 3.417 20 30 CGEDMO C[N@@H+](CC(=O)Nc1ccc(CCC#N)cc1)CC(C)(C)C ZINC000928401420 638880748 /nfs/dbraw/zinc/88/07/48/638880748.db2.gz VNECAORBWNKOQU-UHFFFAOYSA-N 1 1 287.407 3.059 20 30 CGEDMO COc1ccc([C@@H](C)[N@@H+](C)Cc2cncc(C#N)c2)cc1 ZINC000929113027 638899264 /nfs/dbraw/zinc/89/92/64/638899264.db2.gz VLGNXPWXTKQTCE-CYBMUJFWSA-N 1 1 281.359 3.155 20 30 CGEDMO COc1ccc([C@H](C)[N@@H+](C)Cc2cncc(C#N)c2)cc1 ZINC000929113028 638899448 /nfs/dbraw/zinc/89/94/48/638899448.db2.gz VLGNXPWXTKQTCE-ZDUSSCGKSA-N 1 1 281.359 3.155 20 30 CGEDMO CC[N@@H+](CCOC1CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000929330428 638919102 /nfs/dbraw/zinc/91/91/02/638919102.db2.gz GKCWLEPYRHHRJA-CYBMUJFWSA-N 1 1 258.365 3.120 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](C)Cc1ccoc1 ZINC000929328472 638919151 /nfs/dbraw/zinc/91/91/51/638919151.db2.gz SIPGTXCZRROKDW-UHFFFAOYSA-N 1 1 254.333 3.400 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCC[C@@H](n3ccnc3)C2)CCC1 ZINC000929527103 638930516 /nfs/dbraw/zinc/93/05/16/638930516.db2.gz CKKOTAJSBRXEEG-MRXNPFEDSA-N 1 1 286.423 3.384 20 30 CGEDMO Cc1nc(C)c([C@H](C)[N@H+](C)Cc2cncc(C#N)c2)s1 ZINC000929598824 638933701 /nfs/dbraw/zinc/93/37/01/638933701.db2.gz DHGSSWNBDKPILT-NSHDSACASA-N 1 1 286.404 3.220 20 30 CGEDMO Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2cncc(C#N)c2)s1 ZINC000929598824 638933702 /nfs/dbraw/zinc/93/37/02/638933702.db2.gz DHGSSWNBDKPILT-NSHDSACASA-N 1 1 286.404 3.220 20 30 CGEDMO N#Cc1cncc(C[N@H+](CCc2ccc(F)cc2)C2CC2)c1 ZINC000929664116 638938431 /nfs/dbraw/zinc/93/84/31/638938431.db2.gz TUNYKHAREBLYIL-UHFFFAOYSA-N 1 1 295.361 3.299 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000929691123 638941739 /nfs/dbraw/zinc/94/17/39/638941739.db2.gz DDLOOWTWOSQEPP-NEPJUHHUSA-N 1 1 292.345 3.358 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000929691123 638941745 /nfs/dbraw/zinc/94/17/45/638941745.db2.gz DDLOOWTWOSQEPP-NEPJUHHUSA-N 1 1 292.345 3.358 20 30 CGEDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cncc(C#N)c1 ZINC000929712998 638943987 /nfs/dbraw/zinc/94/39/87/638943987.db2.gz ZHBLEOUUZNUFIY-SFHVURJKSA-N 1 1 279.387 3.406 20 30 CGEDMO CCC[C@]1(C)CCC[N@@H+](Cc2cncc(C#N)c2)C1 ZINC000929760474 638948313 /nfs/dbraw/zinc/94/83/13/638948313.db2.gz SVJHBUMKMHCWOF-MRXNPFEDSA-N 1 1 257.381 3.355 20 30 CGEDMO C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)C[C@H](O)CC#N ZINC000929771256 638948962 /nfs/dbraw/zinc/94/89/62/638948962.db2.gz CKIVOLFERVDQSO-TYNCELHUSA-N 1 1 280.799 3.038 20 30 CGEDMO CCN1CC[C@H]([N@H+](C)CC2CCC(C#N)CC2)C[C@@H]1C ZINC000929779623 638950283 /nfs/dbraw/zinc/95/02/83/638950283.db2.gz GJCIRHLQQZNKRQ-OTBWCIGPSA-N 1 1 277.456 3.121 20 30 CGEDMO CCN1CC[C@H]([N@@H+](C)CC2CCC(C#N)CC2)C[C@@H]1C ZINC000929779623 638950285 /nfs/dbraw/zinc/95/02/85/638950285.db2.gz GJCIRHLQQZNKRQ-OTBWCIGPSA-N 1 1 277.456 3.121 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCO[C@H](c3cccs3)C2)CC1 ZINC000929834595 638955691 /nfs/dbraw/zinc/95/56/91/638955691.db2.gz NXQPUQZQXRQSDI-NRXISQOPSA-N 1 1 290.432 3.451 20 30 CGEDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1Cc1cncc(C#N)c1 ZINC000929855271 638957463 /nfs/dbraw/zinc/95/74/63/638957463.db2.gz QAVPZLVMJOWALT-BBRMVZONSA-N 1 1 257.381 3.354 20 30 CGEDMO C[N@@H+](CCc1nccs1)Cc1cc(Cl)cc(C#N)c1 ZINC000930085426 638973042 /nfs/dbraw/zinc/97/30/42/638973042.db2.gz CYBLKGFWZLIZBM-UHFFFAOYSA-N 1 1 291.807 3.343 20 30 CGEDMO CC(C)Oc1cccc(C[N@H+](C)Cc2cncc(C#N)c2)c1 ZINC000930095049 638974138 /nfs/dbraw/zinc/97/41/38/638974138.db2.gz OHDKJSJJZPFJKN-UHFFFAOYSA-N 1 1 295.386 3.372 20 30 CGEDMO CC(C)Oc1cccc(C[N@@H+](C)Cc2cncc(C#N)c2)c1 ZINC000930095049 638974140 /nfs/dbraw/zinc/97/41/40/638974140.db2.gz OHDKJSJJZPFJKN-UHFFFAOYSA-N 1 1 295.386 3.372 20 30 CGEDMO C[C@]1(CCCO)CCC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000930160163 638978480 /nfs/dbraw/zinc/97/84/80/638978480.db2.gz KWXYKGBOMHSQTO-MRXNPFEDSA-N 1 1 292.810 3.339 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)[C@H](C)C1 ZINC000930326318 638990862 /nfs/dbraw/zinc/99/08/62/638990862.db2.gz ZFUVDLYGGIHNQE-ABAIWWIYSA-N 1 1 278.783 3.211 20 30 CGEDMO C[N@H+]1CC[C@]2(C1)CCC[NH+](CCCCC1(C#N)CCC1)C2 ZINC000930600826 639035347 /nfs/dbraw/zinc/03/53/47/639035347.db2.gz BOPPQZOENQRUPE-SFHVURJKSA-N 1 1 289.467 3.268 20 30 CGEDMO CN1CC[C@]2(C1)CCC[N@H+](CCCCC1(C#N)CCC1)C2 ZINC000930600826 639035362 /nfs/dbraw/zinc/03/53/62/639035362.db2.gz BOPPQZOENQRUPE-SFHVURJKSA-N 1 1 289.467 3.268 20 30 CGEDMO CN1CC[C@]2(C1)CCC[N@@H+](CCCCC1(C#N)CCC1)C2 ZINC000930600826 639035367 /nfs/dbraw/zinc/03/53/67/639035367.db2.gz BOPPQZOENQRUPE-SFHVURJKSA-N 1 1 289.467 3.268 20 30 CGEDMO CO[C@H]1C[C@@H]([N@@H+](C)CC2CCC(C#N)CC2)C12CCC2 ZINC000930652822 639046913 /nfs/dbraw/zinc/04/69/13/639046913.db2.gz PJMIFGVRMIZXOV-FJBKBRRZSA-N 1 1 276.424 3.206 20 30 CGEDMO CC1(C)C[N@H+](Cc2cc(Cl)cc(C#N)c2)[C@@H]2COC[C@@H]21 ZINC000930673841 639051371 /nfs/dbraw/zinc/05/13/71/639051371.db2.gz VHQDWKSWMWNEAP-LSDHHAIUSA-N 1 1 290.794 3.068 20 30 CGEDMO CC1(C)C[N@@H+](Cc2cc(Cl)cc(C#N)c2)[C@@H]2COC[C@@H]21 ZINC000930673841 639051378 /nfs/dbraw/zinc/05/13/78/639051378.db2.gz VHQDWKSWMWNEAP-LSDHHAIUSA-N 1 1 290.794 3.068 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H](O)CC12CCC2 ZINC000930755562 639064889 /nfs/dbraw/zinc/06/48/89/639064889.db2.gz OHVAYNQTCHUDOD-MRXNPFEDSA-N 1 1 284.403 3.055 20 30 CGEDMO N#CC1(CCCC[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)CCC1 ZINC000930863233 639078457 /nfs/dbraw/zinc/07/84/57/639078457.db2.gz HGIYLFAYJIRWIE-TXEJJXNPSA-N 1 1 254.324 3.047 20 30 CGEDMO C=CCCC[N@H+](C)CCC1CN(C(=O)OC(C)(C)C)C1 ZINC000859145717 639089814 /nfs/dbraw/zinc/08/98/14/639089814.db2.gz NXTYKWWQQXAHCU-UHFFFAOYSA-N 1 1 282.428 3.141 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+]Cc1coc(-c2ccccc2F)n1 ZINC000859318497 639128789 /nfs/dbraw/zinc/12/87/89/639128789.db2.gz CYMZIPXEAIDTEP-INIZCTEOSA-N 1 1 272.323 3.372 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC000931368162 639142106 /nfs/dbraw/zinc/14/21/06/639142106.db2.gz LIPNORYZZSCKGC-CYBMUJFWSA-N 1 1 255.365 3.318 20 30 CGEDMO C=CCC[N@@H+]1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1 ZINC000931386375 639143699 /nfs/dbraw/zinc/14/36/99/639143699.db2.gz QQRIAUTZQAVTPV-MRXNPFEDSA-N 1 1 271.339 3.072 20 30 CGEDMO C=CCC[N@H+]1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1 ZINC000931386375 639143702 /nfs/dbraw/zinc/14/37/02/639143702.db2.gz QQRIAUTZQAVTPV-MRXNPFEDSA-N 1 1 271.339 3.072 20 30 CGEDMO C[C@@]1(c2ccccc2)CCC[N@H+]1Cc1cncc(C#N)c1 ZINC000931695827 639190024 /nfs/dbraw/zinc/19/00/24/639190024.db2.gz VAOLRVNFPJASJS-SFHVURJKSA-N 1 1 277.371 3.464 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931910751 639226246 /nfs/dbraw/zinc/22/62/46/639226246.db2.gz SGYYAFLPHAWLAZ-VHSXEESVSA-N 1 1 251.267 3.317 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CC[C@@H](c2cccc(F)c2)C1(C)C ZINC000859856724 639240955 /nfs/dbraw/zinc/24/09/55/639240955.db2.gz UGBYSAQBOOMRKF-BBRMVZONSA-N 1 1 290.382 3.322 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000931950773 639242563 /nfs/dbraw/zinc/24/25/63/639242563.db2.gz MUYLVRSBJAXORR-AWEZNQCLSA-N 1 1 272.392 3.067 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000931950773 639242575 /nfs/dbraw/zinc/24/25/75/639242575.db2.gz MUYLVRSBJAXORR-AWEZNQCLSA-N 1 1 272.392 3.067 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000859885097 639250692 /nfs/dbraw/zinc/25/06/92/639250692.db2.gz SMYIYEGQJRHFOG-RVKKMQEKSA-N 1 1 271.470 3.332 20 30 CGEDMO C#CCC[N@@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000859910716 639251428 /nfs/dbraw/zinc/25/14/28/639251428.db2.gz VGJQVYQOLHQZLK-UHFFFAOYSA-N 1 1 253.267 3.087 20 30 CGEDMO C#CCC[N@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000859910716 639251433 /nfs/dbraw/zinc/25/14/33/639251433.db2.gz VGJQVYQOLHQZLK-UHFFFAOYSA-N 1 1 253.267 3.087 20 30 CGEDMO COc1ccc([C@H](C)C[N@@H+]2CCC[C@H](C#N)C2)cc1 ZINC000932150310 639276288 /nfs/dbraw/zinc/27/62/88/639276288.db2.gz BEQFHHDNDJEMQV-ZIAGYGMSSA-N 1 1 258.365 3.034 20 30 CGEDMO COc1ccc([C@H](C)C[N@H+]2CCC[C@H](C#N)C2)cc1 ZINC000932150310 639276294 /nfs/dbraw/zinc/27/62/94/639276294.db2.gz BEQFHHDNDJEMQV-ZIAGYGMSSA-N 1 1 258.365 3.034 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000932192474 639290481 /nfs/dbraw/zinc/29/04/81/639290481.db2.gz XMCZGPLOUXFJSR-ZDUSSCGKSA-N 1 1 274.433 3.225 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000932203645 639295564 /nfs/dbraw/zinc/29/55/64/639295564.db2.gz KZSMUPZJTXXOEN-KRWDZBQOSA-N 1 1 296.439 3.449 20 30 CGEDMO C#CC[N@@H+](Cc1cc(-c2ccccc2)no1)C(C)C ZINC000932389918 639323995 /nfs/dbraw/zinc/32/39/95/639323995.db2.gz GUIDVNYINRSNNE-UHFFFAOYSA-N 1 1 254.333 3.185 20 30 CGEDMO C#CC[N@@H+](Cc1cc(Cl)ccc1OCC#N)C(C)C ZINC000932391132 639324415 /nfs/dbraw/zinc/32/44/15/639324415.db2.gz VLUKIIZUFIAPEJ-UHFFFAOYSA-N 1 1 276.767 3.086 20 30 CGEDMO C#CC[N@H+](Cc1nc(-c2ccccc2)oc1C)C(C)C ZINC000932395001 639324754 /nfs/dbraw/zinc/32/47/54/639324754.db2.gz OWDFFULJELZXKZ-UHFFFAOYSA-N 1 1 268.360 3.494 20 30 CGEDMO C#CC[N@@H+](Cc1nc(-c2ccccc2)oc1C)C(C)C ZINC000932395001 639324758 /nfs/dbraw/zinc/32/47/58/639324758.db2.gz OWDFFULJELZXKZ-UHFFFAOYSA-N 1 1 268.360 3.494 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+](Cc1cccc(F)c1)C1CCC1 ZINC000932402967 639325967 /nfs/dbraw/zinc/32/59/67/639325967.db2.gz LDFXHRVKTNTNFE-ZDUSSCGKSA-N 1 1 276.355 3.109 20 30 CGEDMO CC[C@]1(C(=O)OC(C)(C)C)CCC[N@@H+](CCCC#N)C1 ZINC000932687208 639373050 /nfs/dbraw/zinc/37/30/50/639373050.db2.gz PHCVHHBWAAVSNW-INIZCTEOSA-N 1 1 280.412 3.124 20 30 CGEDMO Cc1csc(C[C@@H]2CC[N@H+]([C@H](C)CCC#N)C2)n1 ZINC000933129217 639421398 /nfs/dbraw/zinc/42/13/98/639421398.db2.gz JZCNCMTUDHEELX-OLZOCXBDSA-N 1 1 263.410 3.008 20 30 CGEDMO Cc1csc(C[C@@H]2CC[N@H+]([C@@H]3CC[C@@H](C#N)C3)C2)n1 ZINC000933128020 639422335 /nfs/dbraw/zinc/42/23/35/639422335.db2.gz SGMKDHBDNQOHET-HZSPNIEDSA-N 1 1 275.421 3.008 20 30 CGEDMO N#Cc1ccc([C@H]2C[N@H+](CCCCCF)CCO2)cc1 ZINC000933631086 639471159 /nfs/dbraw/zinc/47/11/59/639471159.db2.gz ZQPISIXOQMSFFS-MRXNPFEDSA-N 1 1 276.355 3.071 20 30 CGEDMO N#Cc1ccc([C@H]2C[N@@H+](CCCCCF)CCO2)cc1 ZINC000933631086 639471166 /nfs/dbraw/zinc/47/11/66/639471166.db2.gz ZQPISIXOQMSFFS-MRXNPFEDSA-N 1 1 276.355 3.071 20 30 CGEDMO CC(C)=CCC[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933630317 639472561 /nfs/dbraw/zinc/47/25/61/639472561.db2.gz HDHJNWXQCPPLKN-QGZVFWFLSA-N 1 1 270.376 3.288 20 30 CGEDMO CC(C)=CCC[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933630317 639472563 /nfs/dbraw/zinc/47/25/63/639472563.db2.gz HDHJNWXQCPPLKN-QGZVFWFLSA-N 1 1 270.376 3.288 20 30 CGEDMO C=C(C)CCNC(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC000934087857 639536761 /nfs/dbraw/zinc/53/67/61/639536761.db2.gz SGYABEXZQBPSFU-UHFFFAOYSA-N 1 1 288.395 3.160 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@H](Cc3nccs3)C2)cc1C#N ZINC000934332264 639586597 /nfs/dbraw/zinc/58/65/97/639586597.db2.gz QMCZMRNHPKEXTN-OAHLLOKOSA-N 1 1 297.427 3.388 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H](CC)C(=O)Nc1ccc(OC)cc1 ZINC000934471177 639615720 /nfs/dbraw/zinc/61/57/20/639615720.db2.gz HWPQZBVTQDWZRV-ZBFHGGJFSA-N 1 1 288.391 3.063 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1ccc(SC)cc1 ZINC000934471809 639615853 /nfs/dbraw/zinc/61/58/53/639615853.db2.gz MSMMRFRMMAOFFB-TZMCWYRMSA-N 1 1 290.432 3.386 20 30 CGEDMO CCOc1ccc(CC[N@H+](C)Cc2ccncc2C#N)cc1 ZINC000934718325 639665673 /nfs/dbraw/zinc/66/56/73/639665673.db2.gz FNRZUSOUWFEXNW-UHFFFAOYSA-N 1 1 295.386 3.026 20 30 CGEDMO CCOc1ccc(CC[N@@H+](C)Cc2ccncc2C#N)cc1 ZINC000934718325 639665677 /nfs/dbraw/zinc/66/56/77/639665677.db2.gz FNRZUSOUWFEXNW-UHFFFAOYSA-N 1 1 295.386 3.026 20 30 CGEDMO C#Cc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)cc1 ZINC000934935613 639720091 /nfs/dbraw/zinc/72/00/91/639720091.db2.gz REDRVAZFARUDDC-WMLDXEAASA-N 1 1 299.418 3.004 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000158995892 640026725 /nfs/dbraw/zinc/02/67/25/640026725.db2.gz WGRSZSVECAKHAI-AWEZNQCLSA-N 1 1 258.365 3.375 20 30 CGEDMO CCCOC(=O)[C@H](C)[N@H+](CCC)Cc1ccc(C#N)cc1 ZINC000159260238 640036645 /nfs/dbraw/zinc/03/66/45/640036645.db2.gz SZJZILAFUVHQIM-AWEZNQCLSA-N 1 1 288.391 3.112 20 30 CGEDMO CCCOC(=O)[C@H](C)[N@@H+](CCC)Cc1ccc(C#N)cc1 ZINC000159260238 640036650 /nfs/dbraw/zinc/03/66/50/640036650.db2.gz SZJZILAFUVHQIM-AWEZNQCLSA-N 1 1 288.391 3.112 20 30 CGEDMO CCCCCCCCC[N@@H+](C)C1(CO)CCOCC1 ZINC000191010660 640283088 /nfs/dbraw/zinc/28/30/88/640283088.db2.gz SCMSKJVXYLGXSC-UHFFFAOYSA-N 1 1 271.445 3.210 20 30 CGEDMO CSC[C@@H]1CCC[N@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000245764172 640637152 /nfs/dbraw/zinc/63/71/52/640637152.db2.gz QKLCQDAVZPFAEK-HIFRSBDPSA-N 1 1 290.432 3.305 20 30 CGEDMO CCCCCCCCN1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000249419888 640799195 /nfs/dbraw/zinc/79/91/95/640799195.db2.gz WWJOFMHABMASMT-INIZCTEOSA-N 1 1 284.488 3.124 20 30 CGEDMO CCCCCCCC[N@@H+]1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000249419888 640799198 /nfs/dbraw/zinc/79/91/98/640799198.db2.gz WWJOFMHABMASMT-INIZCTEOSA-N 1 1 284.488 3.124 20 30 CGEDMO CCCCCCCC[N@H+]1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000249419888 640799202 /nfs/dbraw/zinc/79/92/02/640799202.db2.gz WWJOFMHABMASMT-INIZCTEOSA-N 1 1 284.488 3.124 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)c2ccc3occc3c2)C1 ZINC001007397702 640940607 /nfs/dbraw/zinc/94/06/07/640940607.db2.gz UCHOGBSQALIDGI-MRXNPFEDSA-N 1 1 298.386 3.203 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CC)C1 ZINC001008343270 640949326 /nfs/dbraw/zinc/94/93/26/640949326.db2.gz MRKXVKWMUYGXLP-MRXNPFEDSA-N 1 1 286.419 3.019 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001008451895 640950322 /nfs/dbraw/zinc/95/03/22/640950322.db2.gz UTMLICZAWCKWGP-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+](CC[C@H](C)F)C2)CC1 ZINC001008423240 640950693 /nfs/dbraw/zinc/95/06/93/640950693.db2.gz QJTWFOBPGKARAB-GOEBONIOSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CCC[N@H+](CC[C@@H](C)F)C2)CC1 ZINC001008423242 640950750 /nfs/dbraw/zinc/95/07/50/640950750.db2.gz QJTWFOBPGKARAB-ZBFHGGJFSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)c2cccs2)C1 ZINC001008508875 640952238 /nfs/dbraw/zinc/95/22/38/640952238.db2.gz DPOLLOSSQUXWBE-UONOGXRCSA-N 1 1 292.448 3.008 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001009287640 640957817 /nfs/dbraw/zinc/95/78/17/640957817.db2.gz MFWYAIDKOSAPJQ-ULQDDVLXSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(Cl)c2)C1 ZINC001009308117 640958090 /nfs/dbraw/zinc/95/80/90/640958090.db2.gz LPYCSWCZFRCLLU-OAHLLOKOSA-N 1 1 292.810 3.110 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)c2cccc(C3CC3)c2)C1 ZINC001009664796 640961465 /nfs/dbraw/zinc/96/14/65/640961465.db2.gz XTSAWDZQBDBBOT-SFHVURJKSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccoc2C(C)C)C1 ZINC001009687144 640962166 /nfs/dbraw/zinc/96/21/66/640962166.db2.gz YJPIIUYQAZHERN-CQSZACIVSA-N 1 1 290.407 3.173 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)CC2CCCCC2)C1 ZINC001010072133 640966543 /nfs/dbraw/zinc/96/65/43/640966543.db2.gz BKYAOKNSLWFCHF-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@@H](C[N@H+](C)C(C)C)C1 ZINC001017179680 641008272 /nfs/dbraw/zinc/00/82/72/641008272.db2.gz MIXWDCCOZFMWLX-HNNXBMFYSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C)c1 ZINC001017316942 641011228 /nfs/dbraw/zinc/01/12/28/641011228.db2.gz RCILZUHXSZHWQP-HDICACEKSA-N 1 1 298.430 3.250 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C ZINC001017312386 641011512 /nfs/dbraw/zinc/01/15/12/641011512.db2.gz NYYRKYZMFMKDOD-CALCHBBNSA-N 1 1 298.430 3.250 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[C@@H](C)C1 ZINC001017821643 641017686 /nfs/dbraw/zinc/01/76/86/641017686.db2.gz DPRDIJGBNSBWKU-TWMKSMIVSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[C@@H]1CC ZINC001018120496 641019692 /nfs/dbraw/zinc/01/96/92/641019692.db2.gz UPJFSRALIMPFIG-MWDXBVQZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[C@@H]1CC ZINC001018120496 641019698 /nfs/dbraw/zinc/01/96/98/641019698.db2.gz UPJFSRALIMPFIG-MWDXBVQZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCCC1(C)C ZINC001018323461 641022238 /nfs/dbraw/zinc/02/22/38/641022238.db2.gz AIEOEXCJCQRARF-OWCLPIDISA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCCC1(C)C ZINC001018323461 641022242 /nfs/dbraw/zinc/02/22/42/641022242.db2.gz AIEOEXCJCQRARF-OWCLPIDISA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)C[C@H](F)CC ZINC001155490231 805586404 /nfs/dbraw/zinc/58/64/04/805586404.db2.gz ZQTBUPCGXZGZPL-ZIAGYGMSSA-N 1 1 286.435 3.163 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](CCC)C(C)C ZINC001155563452 805593792 /nfs/dbraw/zinc/59/37/92/805593792.db2.gz GAPUFBAHRQLBAQ-CABCVRRESA-N 1 1 268.445 3.071 20 30 CGEDMO C=C(C)CNc1ccc2c(cc(OC)cc2OC)[nH+]1 ZINC001155661681 805601395 /nfs/dbraw/zinc/60/13/95/805601395.db2.gz CCCDXAKBDPHNCL-UHFFFAOYSA-N 1 1 258.321 3.240 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)CNC(=O)C1(CC(C)C)CCCC1 ZINC001155864735 805616799 /nfs/dbraw/zinc/61/67/99/805616799.db2.gz RPFLCCFVHDGRGS-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO Cc1[nH+]c(NCCOc2ccccc2F)ccc1CC#N ZINC001156023235 805642203 /nfs/dbraw/zinc/64/22/03/805642203.db2.gz FKXHKWLZKDDHFS-UHFFFAOYSA-N 1 1 285.322 3.086 20 30 CGEDMO C[NH+](C)Cc1ccc2nc(-c3ccc(F)c(C#N)c3)[nH]c2c1 ZINC001250506580 805662397 /nfs/dbraw/zinc/66/23/97/805662397.db2.gz RKAPBDDYGIRPPB-UHFFFAOYSA-N 1 1 294.333 3.302 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@@H](C#N)CC2)cc2c1OCC=C2 ZINC001250512556 805666893 /nfs/dbraw/zinc/66/68/93/805666893.db2.gz HULDWFFFYXRHHA-CQSZACIVSA-N 1 1 298.386 3.226 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1cc2c(c(OC)c1)OCC=C2 ZINC001250512479 805666993 /nfs/dbraw/zinc/66/69/93/805666993.db2.gz FGLPCFZLVYVSQQ-UHFFFAOYSA-N 1 1 286.375 3.226 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1cc2c(c(OC)c1)OCC=C2 ZINC001250512479 805666998 /nfs/dbraw/zinc/66/69/98/805666998.db2.gz FGLPCFZLVYVSQQ-UHFFFAOYSA-N 1 1 286.375 3.226 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)C(C1CC1)C1CC1 ZINC001156283474 805671623 /nfs/dbraw/zinc/67/16/23/805671623.db2.gz VRVLAJQXCDRSGY-CQSZACIVSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1cc(C)cc(C)c1 ZINC001156605926 805718906 /nfs/dbraw/zinc/71/89/06/805718906.db2.gz FICAHNRATWHOTP-MRXNPFEDSA-N 1 1 288.435 3.320 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1cc(C)c(F)c(C)c1 ZINC001156955450 805759559 /nfs/dbraw/zinc/75/95/59/805759559.db2.gz IOLYAFJBHDGMQQ-CQSZACIVSA-N 1 1 292.398 3.069 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](CC)CCCCC ZINC001157041167 805768170 /nfs/dbraw/zinc/76/81/70/805768170.db2.gz GQEPEIWCXUZQHR-IAGOWNOFSA-N 1 1 294.483 3.443 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1sccc1C(C)C ZINC001157068992 805772616 /nfs/dbraw/zinc/77/26/16/805772616.db2.gz LEVIHSIPRXFXFE-CYBMUJFWSA-N 1 1 294.464 3.498 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)CNC(=O)C[C@H]1CCCCC1(C)C ZINC001157347961 805797194 /nfs/dbraw/zinc/79/71/94/805797194.db2.gz YNAFHYJTXJDDRN-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@H](C)C(C)C ZINC001157667775 805850639 /nfs/dbraw/zinc/85/06/39/805850639.db2.gz DENHKKZSXFIVLP-DLBZAZTESA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCn1cnn(C[N@@H+]2CCC[C@H]2C2CCCC2)c1=S ZINC001251126879 805851219 /nfs/dbraw/zinc/85/12/19/805851219.db2.gz PGQVTUSFJLGWSE-AWEZNQCLSA-N 1 1 292.452 3.212 20 30 CGEDMO C=CCn1cnn(C[N@H+]2CCC[C@H]2C2CCCC2)c1=S ZINC001251126879 805851229 /nfs/dbraw/zinc/85/12/29/805851229.db2.gz PGQVTUSFJLGWSE-AWEZNQCLSA-N 1 1 292.452 3.212 20 30 CGEDMO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)C/C=C/Cl ZINC001158011788 805913540 /nfs/dbraw/zinc/91/35/40/805913540.db2.gz PGYZTRDADYCHCQ-WCLQSUPFSA-N 1 1 298.858 3.408 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1C[N@H+](C)C(C)C ZINC001158369512 805945845 /nfs/dbraw/zinc/94/58/45/805945845.db2.gz HVEJYKRNABQASK-HZPDHXFCSA-N 1 1 280.456 3.310 20 30 CGEDMO CCCCCCCC[C@H](O)CNc1[nH+]cnc2[nH]ccc21 ZINC001252122436 806009508 /nfs/dbraw/zinc/00/95/08/806009508.db2.gz VJVMRUPTRIUJSV-ZDUSSCGKSA-N 1 1 290.411 3.481 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CC[C@H](C)[C@@H](O)CC1 ZINC001252124600 806013471 /nfs/dbraw/zinc/01/34/71/806013471.db2.gz SDNAWLWKBHPKLR-ULQDDVLXSA-N 1 1 285.472 3.191 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CC[C@]2(CCOC2)C1 ZINC001252124891 806013814 /nfs/dbraw/zinc/01/38/14/806013814.db2.gz UXIWTOICWRUHSA-SJORKVTESA-N 1 1 283.456 3.210 20 30 CGEDMO CCCCCCCC[C@@H](O)CN1CCC[N@H+]2CCC[C@H]2C1 ZINC001252130001 806015599 /nfs/dbraw/zinc/01/55/99/806015599.db2.gz IMHCWVJPKYFHRP-ZWKOTPCHSA-N 1 1 296.499 3.268 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1C[C@H]2OC[C@@H](C)[C@H]2C1 ZINC001252130171 806016199 /nfs/dbraw/zinc/01/61/99/806016199.db2.gz MSBJTIBELZTTIF-YYIAUSFCSA-N 1 1 283.456 3.065 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CC[C@@H](OCC)C1 ZINC001252132791 806016841 /nfs/dbraw/zinc/01/68/41/806016841.db2.gz LQVRNEWVTZIKEP-JKSUJKDBSA-N 1 1 271.445 3.209 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCN(CC)C[C@H]1C ZINC001252134103 806020046 /nfs/dbraw/zinc/02/00/46/806020046.db2.gz VJRSRHLEZSOYKY-IAGOWNOFSA-N 1 1 284.488 3.124 20 30 CGEDMO CCCCCCCC[C@@H](O)CN1CC[N@H+](CC)C[C@H]1C ZINC001252134103 806020057 /nfs/dbraw/zinc/02/00/57/806020057.db2.gz VJRSRHLEZSOYKY-IAGOWNOFSA-N 1 1 284.488 3.124 20 30 CGEDMO CCCCCCCC[C@@H](O)CN1CC[N@@H+](CC)C[C@H]1C ZINC001252134103 806020067 /nfs/dbraw/zinc/02/00/67/806020067.db2.gz VJRSRHLEZSOYKY-IAGOWNOFSA-N 1 1 284.488 3.124 20 30 CGEDMO CCCCCCCC[C@@H](O)C[NH2+][C@@H]1CCCN(C)CC1 ZINC001252135666 806021860 /nfs/dbraw/zinc/02/18/60/806021860.db2.gz HIVWNMYBGSCBKS-IAGOWNOFSA-N 1 1 284.488 3.172 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC001252554790 806062715 /nfs/dbraw/zinc/06/27/15/806062715.db2.gz LTRAWBWUOKUJBX-HUUCEWRRSA-N 1 1 265.784 3.414 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+]1CCC[C@@H]1c1cc(F)ccc1F ZINC001252555678 806064442 /nfs/dbraw/zinc/06/44/42/806064442.db2.gz ZXOZXGMTDFDBTF-HUUCEWRRSA-N 1 1 267.319 3.039 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cccnc1 ZINC001252598777 806081755 /nfs/dbraw/zinc/08/17/55/806081755.db2.gz QZFYSYFHVBUDGF-IBGZPJMESA-N 1 1 296.414 3.411 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[N@H+]1CC[C@](C)(O)C1 ZINC001252979284 806144311 /nfs/dbraw/zinc/14/43/11/806144311.db2.gz JPAGNSFCVCAKEJ-IRXDYDNUSA-N 1 1 285.472 3.335 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[N@H+]1CCN2CC[C@H]2C1 ZINC001252982365 806145521 /nfs/dbraw/zinc/14/55/21/806145521.db2.gz CGGGSWRSXKKCBV-ZWKOTPCHSA-N 1 1 296.499 3.268 20 30 CGEDMO CCCCCCCCCC[C@@H](O)CN1CC[N@@H+]2CC[C@H]2C1 ZINC001252982365 806145526 /nfs/dbraw/zinc/14/55/26/806145526.db2.gz CGGGSWRSXKKCBV-ZWKOTPCHSA-N 1 1 296.499 3.268 20 30 CGEDMO CCCCCCCCCC[C@@H](O)CN1CC[N@H+]2CC[C@H]2C1 ZINC001252982365 806145535 /nfs/dbraw/zinc/14/55/35/806145535.db2.gz CGGGSWRSXKKCBV-ZWKOTPCHSA-N 1 1 296.499 3.268 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[NH2+]Cc1nonc1C ZINC001252983194 806146570 /nfs/dbraw/zinc/14/65/70/806146570.db2.gz SLCTVAILQDZJKK-OAHLLOKOSA-N 1 1 297.443 3.359 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1CC(C)(C)C[C@@]1(C)CO ZINC001253233973 806188253 /nfs/dbraw/zinc/18/82/53/806188253.db2.gz RHEDOSFZNQXAOO-AEFFLSMTSA-N 1 1 297.483 3.357 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1CCCC[C@@H]1COC ZINC001253233854 806188271 /nfs/dbraw/zinc/18/82/71/806188271.db2.gz PELOUDMGBVWHEN-IAGOWNOFSA-N 1 1 283.456 3.375 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1C[C@H](F)C[C@H]1C ZINC001253234164 806189162 /nfs/dbraw/zinc/18/91/62/806189162.db2.gz VRPDAAZVMCYINT-RBSFLKMASA-N 1 1 257.393 3.306 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+](C)CCc1cccnc1 ZINC001253240695 806192150 /nfs/dbraw/zinc/19/21/50/806192150.db2.gz PILXQIKCAZQSJK-GOSISDBHSA-N 1 1 290.451 3.443 20 30 CGEDMO Cc1cc2c(nc[nH+]c2N[C@@H]2CCc3c2cccc3C#N)[nH]1 ZINC001159914393 806197748 /nfs/dbraw/zinc/19/77/48/806197748.db2.gz LQWHYLYAOWEHSU-OAHLLOKOSA-N 1 1 289.342 3.237 20 30 CGEDMO C=C[C@H](O)C[N@@H+](Cc1ccccc1)C1CCCCC1 ZINC001253573180 806261758 /nfs/dbraw/zinc/26/17/58/806261758.db2.gz RTWGPMZJXKDMNB-KRWDZBQOSA-N 1 1 259.393 3.368 20 30 CGEDMO C=C[C@H](O)C[N@H+]1CC[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001253578401 806263298 /nfs/dbraw/zinc/26/32/98/806263298.db2.gz ANEFNECCWPTYOK-NEPJUHHUSA-N 1 1 286.202 3.330 20 30 CGEDMO C=C[C@@H](O)C[N@@H+]1CCC[C@@H](Oc2cc(C)ccc2Cl)C1 ZINC001253582318 806264316 /nfs/dbraw/zinc/26/43/16/806264316.db2.gz NPEWSEXISIEFSN-ZIAGYGMSSA-N 1 1 295.810 3.039 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCCC1=CC[N@@H+](CC(C)C)CC1 ZINC001160860468 806311220 /nfs/dbraw/zinc/31/12/20/806311220.db2.gz IFDDFQPIYBJUNG-UHFFFAOYSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)[C@@H](C)C=C)CC1 ZINC001160942508 806326627 /nfs/dbraw/zinc/32/66/27/806326627.db2.gz ZOBYJHPLUXMHDC-HOTGVXAUSA-N 1 1 290.451 3.159 20 30 CGEDMO CC(C)[N@H+](CCC#N)Cc1ccc(N2CCCC2)cc1 ZINC001253990205 806326901 /nfs/dbraw/zinc/32/69/01/806326901.db2.gz PGSVGNBWYDPTPJ-UHFFFAOYSA-N 1 1 271.408 3.411 20 30 CGEDMO CC(C)[N@@H+](CCC#N)Cc1ccc(N2CCCC2)cc1 ZINC001253990205 806326910 /nfs/dbraw/zinc/32/69/10/806326910.db2.gz PGSVGNBWYDPTPJ-UHFFFAOYSA-N 1 1 271.408 3.411 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1ccc(-c2ccc(C)o2)nn1 ZINC001160957753 806328565 /nfs/dbraw/zinc/32/85/65/806328565.db2.gz RNDAEPSCDGSORU-AWEZNQCLSA-N 1 1 298.390 3.107 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OCC(F)(F)F)cc1)CC1CC1 ZINC001254032741 806332718 /nfs/dbraw/zinc/33/27/18/806332718.db2.gz AUTOGEWLUHAJLV-UHFFFAOYSA-N 1 1 297.320 3.473 20 30 CGEDMO Cc1ccc(CC#N)c(NCCCc2cccc(N)c2)[nH+]1 ZINC001161012837 806335415 /nfs/dbraw/zinc/33/54/15/806335415.db2.gz UBUCPHRHEBGMGD-UHFFFAOYSA-N 1 1 280.375 3.083 20 30 CGEDMO C=C1CC(C)(C(=O)NCCC2=CC[N@@H+](CC(C)C)CC2)C1 ZINC001161172281 806354792 /nfs/dbraw/zinc/35/47/92/806354792.db2.gz BXHANGUBJOHDOA-UHFFFAOYSA-N 1 1 290.451 3.137 20 30 CGEDMO CCCCCCCCCCN(C)C(=O)[C@@H]1CSC[NH2+]1 ZINC001161221135 806358178 /nfs/dbraw/zinc/35/81/78/806358178.db2.gz JHWVVZQDWTUASE-AWEZNQCLSA-N 1 1 286.485 3.248 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)[C@H](CC)CCC)CC1 ZINC001161579254 806394615 /nfs/dbraw/zinc/39/46/15/806394615.db2.gz PKYZECVTNLSIRJ-MRXNPFEDSA-N 1 1 278.440 3.137 20 30 CGEDMO N#C[C@H]1CCC[N@H+](C2CCc3ccccc3CC2)C1 ZINC001254461516 806409816 /nfs/dbraw/zinc/40/98/16/806409816.db2.gz IFDLLDYLKRUWFC-CQSZACIVSA-N 1 1 254.377 3.170 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](C/C(C)=C/c2ccccc2)C1 ZINC001254645059 806469739 /nfs/dbraw/zinc/46/97/39/806469739.db2.gz FCAOGEZBANYHQU-VMEIHUARSA-N 1 1 257.377 3.367 20 30 CGEDMO N#C[C@@H]1CC[C@H]([NH2+]Cc2nccc(Cl)c2Cl)C1 ZINC001254648262 806473175 /nfs/dbraw/zinc/47/31/75/806473175.db2.gz GZZFMTYONOCUPI-BDAKNGLRSA-N 1 1 270.163 3.170 20 30 CGEDMO N#C[C@H]1CC[C@H]([NH+](Cc2cccnc2)Cc2cccnc2)C1 ZINC001254667753 806479477 /nfs/dbraw/zinc/47/94/77/806479477.db2.gz DETYEGLCRFYQEC-YJBOKZPZSA-N 1 1 292.386 3.171 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](Sc3ccncc3)C2)C1 ZINC001254669910 806479819 /nfs/dbraw/zinc/47/98/19/806479819.db2.gz WUVPRNHTBBGAHK-IIAWOOMASA-N 1 1 287.432 3.330 20 30 CGEDMO COc1ccc2c(c1)C[N@@H+]([C@H]1CC[C@@H](C#N)C1)CCC2 ZINC001254675818 806482835 /nfs/dbraw/zinc/48/28/35/806482835.db2.gz GTOKOAOZIVFQKC-CJNGLKHVSA-N 1 1 270.376 3.136 20 30 CGEDMO N#C[C@H]1CC[C@H]([N@@H+]2CCc3c4ccccc4oc3C2)C1 ZINC001254673678 806482927 /nfs/dbraw/zinc/48/29/27/806482927.db2.gz MYWUJDNRJTZEMW-STQMWFEESA-N 1 1 266.344 3.483 20 30 CGEDMO N#C[C@H]1CC[C@H]([N@H+]2CCc3c4ccccc4oc3C2)C1 ZINC001254673678 806482932 /nfs/dbraw/zinc/48/29/32/806482932.db2.gz MYWUJDNRJTZEMW-STQMWFEESA-N 1 1 266.344 3.483 20 30 CGEDMO C[C@H]1CN([C@@H]2CC[C@@H](C#N)C2)CC[N@H+]1C1CCCCC1 ZINC001254675127 806483175 /nfs/dbraw/zinc/48/31/75/806483175.db2.gz BZORKIVDCKSLIT-ZMSDIMECSA-N 1 1 275.440 3.017 20 30 CGEDMO CCCCN(CCC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001255115636 806547059 /nfs/dbraw/zinc/54/70/59/806547059.db2.gz OKUNCWPRRDSHIF-GOSISDBHSA-N 1 1 285.435 3.277 20 30 CGEDMO CC[C@H](CC#N)[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC001255156626 806556785 /nfs/dbraw/zinc/55/67/85/806556785.db2.gz MFPMBGLNTGZFEW-QMTHXVAHSA-N 1 1 250.292 3.234 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]C1(c2cccc(F)c2)CCOCC1 ZINC001255161795 806559871 /nfs/dbraw/zinc/55/98/71/806559871.db2.gz AEJVSVLIWLLAIC-HNNXBMFYSA-N 1 1 276.355 3.113 20 30 CGEDMO CC[C@@H](CC#N)[N@H+](C)Cc1cccc2cccnc21 ZINC001255173183 806567622 /nfs/dbraw/zinc/56/76/22/806567622.db2.gz JDMAAZQZJQYZNE-HNNXBMFYSA-N 1 1 253.349 3.359 20 30 CGEDMO CC[C@@H](CC#N)[N@@H+](C)Cc1cccc2cccnc21 ZINC001255173183 806567627 /nfs/dbraw/zinc/56/76/27/806567627.db2.gz JDMAAZQZJQYZNE-HNNXBMFYSA-N 1 1 253.349 3.359 20 30 CGEDMO CC[C@@H](CC#N)[NH+]1CCC(C(C)=O)(c2ccccc2)CC1 ZINC001255172523 806565229 /nfs/dbraw/zinc/56/52/29/806565229.db2.gz BVMOQZVCUIAXIK-KRWDZBQOSA-N 1 1 284.403 3.301 20 30 CGEDMO CC[C@H](CC#N)[NH+]1CCCN(C(=O)OC(C)(C)C)CCC1 ZINC001255179359 806572731 /nfs/dbraw/zinc/57/27/31/806572731.db2.gz OUXHWNGMKNJKDV-CQSZACIVSA-N 1 1 295.427 3.012 20 30 CGEDMO C=CCOC(=O)N[C@H]1CCC[N@H+](C2CCC(C)(C)CC2)C1 ZINC001255309220 806605116 /nfs/dbraw/zinc/60/51/16/806605116.db2.gz ZTLYZKNHNMMKTR-AWEZNQCLSA-N 1 1 294.439 3.332 20 30 CGEDMO CCN(CCC#N)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255402398 806633492 /nfs/dbraw/zinc/63/34/92/806633492.db2.gz HWPLKAASSPZDDL-GOSISDBHSA-N 1 1 285.435 3.277 20 30 CGEDMO Cc1nn(C)c(Cl)c1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000128057192 799017326 /nfs/dbraw/zinc/01/73/26/799017326.db2.gz OTSHZTORUUWIFP-SNVBAGLBSA-N 1 1 288.782 3.104 20 30 CGEDMO NC(=[NH+]OCc1cc(-c2ccco2)on1)C1CCCCC1 ZINC000148973506 799051634 /nfs/dbraw/zinc/05/16/34/799051634.db2.gz WPDBCLXDQAQKDM-UHFFFAOYSA-N 1 1 289.335 3.304 20 30 CGEDMO Cc1[nH+]c(N[C@@H]2CCc3c2cccc3O)ccc1CC#N ZINC001163195842 806718868 /nfs/dbraw/zinc/71/88/68/806718868.db2.gz YFXUYDVQHJXMOL-OAHLLOKOSA-N 1 1 279.343 3.261 20 30 CGEDMO CC[C@@H](CC#N)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383074535 799399265 /nfs/dbraw/zinc/39/92/65/799399265.db2.gz SMONXKWIJZRMRZ-ROUUACIJSA-N 1 1 285.435 3.133 20 30 CGEDMO CCCCCCCC[N@H+]1CCSC[C@H]1CCO ZINC000689277301 799762870 /nfs/dbraw/zinc/76/28/70/799762870.db2.gz AAEIXLWFOXJRLN-CQSZACIVSA-N 1 1 259.459 3.147 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O ZINC000693151071 799808883 /nfs/dbraw/zinc/80/88/83/799808883.db2.gz MKKXMTHWMPESPG-ZNMIVQPWSA-N 1 1 278.440 3.188 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1cccc(O)c1Cl)C(C)(C)C ZINC000702235853 799904882 /nfs/dbraw/zinc/90/48/82/799904882.db2.gz FKOVCIQEXZHXJC-GFCCVEGCSA-N 1 1 251.757 3.183 20 30 CGEDMO COc1cc(C[N@@H+](C)[C@H]2CC[C@@H](SC)C2)ccc1C#N ZINC000708305713 799985306 /nfs/dbraw/zinc/98/53/06/799985306.db2.gz YDBOMCQGBDZVAQ-LSDHHAIUSA-N 1 1 290.432 3.283 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000710454527 800034842 /nfs/dbraw/zinc/03/48/42/800034842.db2.gz CWVCPYVNTDPKLI-LBPRGKRZSA-N 1 1 287.363 3.143 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H](c2nccs2)C1 ZINC000710454527 800034848 /nfs/dbraw/zinc/03/48/48/800034848.db2.gz CWVCPYVNTDPKLI-LBPRGKRZSA-N 1 1 287.363 3.143 20 30 CGEDMO C=CC[N@H+]([C@H]1CCN(C(=O)OCC)C1)C1CCCCC1 ZINC001256039347 806806391 /nfs/dbraw/zinc/80/63/91/806806391.db2.gz BYPAUSPXYRWMPD-HNNXBMFYSA-N 1 1 280.412 3.038 20 30 CGEDMO C[C@@H]1C[C@H](C)CC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000723798421 800339980 /nfs/dbraw/zinc/33/99/80/800339980.db2.gz XQHIOPCKOPPFDG-HUUCEWRRSA-N 1 1 272.392 3.305 20 30 CGEDMO CCCC[N@@H+](C)C[C@H](C)/N=C\c1ccc(OCC)cc1O ZINC000809144117 800412798 /nfs/dbraw/zinc/41/27/98/800412798.db2.gz DIUOHAZYOMKARR-HIXWQLQUSA-N 1 1 292.423 3.330 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000809542390 800442733 /nfs/dbraw/zinc/44/27/33/800442733.db2.gz ZPTAAZXZYWDZSG-AWEZNQCLSA-N 1 1 267.294 3.442 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCc3ccc(OC)cc3C2)cc1 ZINC000809552058 800446286 /nfs/dbraw/zinc/44/62/86/800446286.db2.gz HZUAQANVRDNCGM-UHFFFAOYSA-N 1 1 277.367 3.235 20 30 CGEDMO C#CC[C@@H]([NH2+][C@H](C)c1cc2n(n1)CCC2)c1ccccc1 ZINC000840733756 800499847 /nfs/dbraw/zinc/49/98/47/800499847.db2.gz YDGNPKWBYDCYOE-RHSMWYFYSA-N 1 1 279.387 3.245 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886829503 800546670 /nfs/dbraw/zinc/54/66/70/800546670.db2.gz BKEJWQNDOMCTGE-WMZOPIPTSA-N 1 1 298.430 3.489 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@H]1c1cncc(Br)c1 ZINC000932248174 800654789 /nfs/dbraw/zinc/65/47/89/800654789.db2.gz BTODWRZCINVKDI-AWEZNQCLSA-N 1 1 293.208 3.394 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C(C)C)cc2)[C@H]1C ZINC000994297637 800695867 /nfs/dbraw/zinc/69/58/67/800695867.db2.gz LWHAAWLVUFWHGH-QAPCUYQASA-N 1 1 298.430 3.026 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](CNC(=O)c2ccc3occc3c2)C1 ZINC001023385871 800709481 /nfs/dbraw/zinc/70/94/81/800709481.db2.gz ZLFHLKHRZNVCOV-CQSZACIVSA-N 1 1 298.386 3.061 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)C2CC(C)(C)C2)C1 ZINC001023348161 800709916 /nfs/dbraw/zinc/70/99/16/800709916.db2.gz ACKNMYVKDLOPRB-ZDUSSCGKSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)C2CC(C)(C)C2)C1 ZINC001023348161 800709919 /nfs/dbraw/zinc/70/99/19/800709919.db2.gz ACKNMYVKDLOPRB-ZDUSSCGKSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)C2=CCCCCC2)C1 ZINC001023331008 800710219 /nfs/dbraw/zinc/71/02/19/800710219.db2.gz SVAYAXSTIOWHDT-MRXNPFEDSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001023389563 800710388 /nfs/dbraw/zinc/71/03/88/800710388.db2.gz XHLVPIWNJNNPQS-SJORKVTESA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001023486159 800711248 /nfs/dbraw/zinc/71/12/48/800711248.db2.gz KRCBTKWZJKFUGX-BZUAXINKSA-N 1 1 292.467 3.073 20 30 CGEDMO C=Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](CC(=C)C)C2)cc1 ZINC001023605379 800713627 /nfs/dbraw/zinc/71/36/27/800713627.db2.gz YKTJXXMZTHLECM-QGZVFWFLSA-N 1 1 298.430 3.348 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)c2csc(C)c2)C1 ZINC001023646502 800714146 /nfs/dbraw/zinc/71/41/46/800714146.db2.gz BZVXMKVHBQBHAH-CQSZACIVSA-N 1 1 292.448 3.074 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)C2CCC(C)(C)CC2)C1 ZINC001023767575 800715659 /nfs/dbraw/zinc/71/56/59/800715659.db2.gz HZSGLWFWHBEHPE-OAHLLOKOSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C1CCCCC1 ZINC001024305871 800723094 /nfs/dbraw/zinc/72/30/94/800723094.db2.gz ZMEQCTHABSPJQB-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC001024320750 800725176 /nfs/dbraw/zinc/72/51/76/800725176.db2.gz WQQNPGFTDGGKQB-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1c(C)coc1C ZINC001024426246 800728311 /nfs/dbraw/zinc/72/83/11/800728311.db2.gz XXDWCXGAZCFSMU-OAHLLOKOSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC1(C)C ZINC001024607717 800732689 /nfs/dbraw/zinc/73/26/89/800732689.db2.gz HVFGCUAAOVWBKP-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(C)co1 ZINC001024611240 800732697 /nfs/dbraw/zinc/73/26/97/800732697.db2.gz AXWSKQUVIPYPSK-HNNXBMFYSA-N 1 1 290.407 3.139 20 30 CGEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(C2CC2)c1 ZINC001024816192 800737099 /nfs/dbraw/zinc/73/70/99/800737099.db2.gz DWBYXAVYHIVAAQ-SFHVURJKSA-N 1 1 298.430 3.334 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C)ccc1C ZINC001024780334 800737218 /nfs/dbraw/zinc/73/72/18/800737218.db2.gz RUCKDQDBEUCUBP-INIZCTEOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@H]1CNC(=O)C1CCC=CCC1 ZINC001024805068 800737720 /nfs/dbraw/zinc/73/77/20/800737720.db2.gz OBIBCZDIRZLOKO-KRWDZBQOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(Cl)c1 ZINC001024773203 800737937 /nfs/dbraw/zinc/73/79/37/800737937.db2.gz CRCPNYRCYWBPMM-OAHLLOKOSA-N 1 1 292.810 3.110 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C=C(C)C ZINC001025190025 800746522 /nfs/dbraw/zinc/74/65/22/800746522.db2.gz UXUGXTWUBDHRCK-IRXDYDNUSA-N 1 1 290.451 3.374 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC(C)C ZINC001025191163 800747561 /nfs/dbraw/zinc/74/75/61/800747561.db2.gz FZGOHPHGZUUYMM-HZPDHXFCSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001025524970 800762357 /nfs/dbraw/zinc/76/23/57/800762357.db2.gz WPFIYMVYDXYSLX-NVXWUHKLSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc(C=C)cc2)C1 ZINC001025544692 800764261 /nfs/dbraw/zinc/76/42/61/800764261.db2.gz YXAZMIWMAPLHDO-QAPCUYQASA-N 1 1 298.430 3.346 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)CC2CCCC2)C1 ZINC001027279186 800788583 /nfs/dbraw/zinc/78/85/83/800788583.db2.gz RAVTZMZXIUWWEU-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C(F)=C2CCCC2)C1 ZINC001027364490 800792981 /nfs/dbraw/zinc/79/29/81/800792981.db2.gz DOUIOXULDOVOAN-HNNXBMFYSA-N 1 1 294.414 3.283 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001027418434 800795220 /nfs/dbraw/zinc/79/52/20/800795220.db2.gz CQCWEFUBDOKWDN-ARFHVFGLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCC2)C1 ZINC001027519152 800800322 /nfs/dbraw/zinc/80/03/22/800800322.db2.gz FPRKFAMVIFADFJ-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001027563513 800803512 /nfs/dbraw/zinc/80/35/12/800803512.db2.gz BIPIUFQGMOEKEE-QLFBSQMISA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001027563513 800803520 /nfs/dbraw/zinc/80/35/20/800803520.db2.gz BIPIUFQGMOEKEE-QLFBSQMISA-N 1 1 298.858 3.098 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]([N@H+](C)CC(=C)Cl)C1 ZINC001027560114 800803958 /nfs/dbraw/zinc/80/39/58/800803958.db2.gz QGCVJMCCUYLAQH-GDBMZVCRSA-N 1 1 298.858 3.264 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]([N@@H+](C)CC(=C)Cl)C1 ZINC001027560114 800803966 /nfs/dbraw/zinc/80/39/66/800803966.db2.gz QGCVJMCCUYLAQH-GDBMZVCRSA-N 1 1 298.858 3.264 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)C2(CC)CCCCC2)C1 ZINC001027689426 800810835 /nfs/dbraw/zinc/81/08/35/800810835.db2.gz CSRBOJSTYKEHBC-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C=C)c2ccccc2)C1 ZINC001027690636 800812094 /nfs/dbraw/zinc/81/20/94/800812094.db2.gz HLCCSDBLVLEQHE-MSOLQXFVSA-N 1 1 298.430 3.065 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1cscc1C ZINC001027815142 800820945 /nfs/dbraw/zinc/82/09/45/800820945.db2.gz VNWGYVPTHRJEOI-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(C)c(C)o1 ZINC001027823906 800821372 /nfs/dbraw/zinc/82/13/72/800821372.db2.gz DDAPNNXRWWNAQW-HNNXBMFYSA-N 1 1 290.407 3.057 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1ccoc1Cl ZINC001027851406 800824453 /nfs/dbraw/zinc/82/44/53/800824453.db2.gz NNZRRRPLTNILHC-LBPRGKRZSA-N 1 1 296.798 3.093 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001027903503 800826309 /nfs/dbraw/zinc/82/63/09/800826309.db2.gz IKJBJOPJKRASNN-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1occc1C(C)C ZINC001028095051 800831404 /nfs/dbraw/zinc/83/14/04/800831404.db2.gz ATNNALSGDYAAPA-CQSZACIVSA-N 1 1 290.407 3.173 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(C(C)C)c1 ZINC001028242070 800834808 /nfs/dbraw/zinc/83/48/08/800834808.db2.gz ARSVNVMLIHDFGV-GOSISDBHSA-N 1 1 298.430 3.028 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cl)cc1 ZINC001028276086 800837713 /nfs/dbraw/zinc/83/77/13/800837713.db2.gz GVBRXEBRKCUUSS-OAHLLOKOSA-N 1 1 292.810 3.110 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccoc1CCC ZINC001028263240 800837739 /nfs/dbraw/zinc/83/77/39/800837739.db2.gz MWDIWXFTWWAPER-CQSZACIVSA-N 1 1 290.407 3.002 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC001028296929 800840290 /nfs/dbraw/zinc/84/02/90/800840290.db2.gz DIWQNRPUKHKVNI-KRWDZBQOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC(C)(C)C1 ZINC001028340198 800843043 /nfs/dbraw/zinc/84/30/43/800843043.db2.gz LIKGXMDOVOLFFF-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)c2ccsc2C)C1 ZINC001028531838 800850008 /nfs/dbraw/zinc/85/00/08/800850008.db2.gz KCZWAAQGDJGHFQ-CQSZACIVSA-N 1 1 292.448 3.074 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CNC(=O)c2cscc2Cl)C1 ZINC001028614847 800850057 /nfs/dbraw/zinc/85/00/57/800850057.db2.gz DGFOIPYQJLLKAK-LLVKDONJSA-N 1 1 298.839 3.029 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](CNC(=O)C2CCC(C)(C)CC2)C1 ZINC001029012738 800858204 /nfs/dbraw/zinc/85/82/04/800858204.db2.gz URGRTKLKFUYVCQ-OAHLLOKOSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](F)CC ZINC001029420323 800868060 /nfs/dbraw/zinc/86/80/60/800868060.db2.gz XHMFACQWJBNSOA-SOUVJXGZSA-N 1 1 296.430 3.012 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](F)CC ZINC001029420323 800868068 /nfs/dbraw/zinc/86/80/68/800868068.db2.gz XHMFACQWJBNSOA-SOUVJXGZSA-N 1 1 296.430 3.012 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](C)F ZINC001029453782 800868633 /nfs/dbraw/zinc/86/86/33/800868633.db2.gz KRQANSOEFIPPLK-MPTYRVRUSA-N 1 1 296.430 3.012 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](F)CC ZINC001029454011 800869279 /nfs/dbraw/zinc/86/92/79/800869279.db2.gz PRQUHAAWTMMFMU-AIANPOQGSA-N 1 1 296.430 3.012 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](F)CC ZINC001029454011 800869285 /nfs/dbraw/zinc/86/92/85/800869285.db2.gz PRQUHAAWTMMFMU-AIANPOQGSA-N 1 1 296.430 3.012 20 30 CGEDMO C=CCN1CC[C@@]2(CCC[N@H+]([C@H](C)CCC(C)C)C2)C1=O ZINC001256364271 806869390 /nfs/dbraw/zinc/86/93/90/806869390.db2.gz RJMVRZFGILJTBY-SJLPKXTDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)c2ccc(C)cc2Cl)C1 ZINC001030993774 800902642 /nfs/dbraw/zinc/90/26/42/800902642.db2.gz OHTZOTONQWHHNK-UHFFFAOYSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)c2sccc2C(C)C)C1 ZINC001031430373 800911309 /nfs/dbraw/zinc/91/13/09/800911309.db2.gz XAEOFEKOVZEIMS-UHFFFAOYSA-N 1 1 292.448 3.252 20 30 CGEDMO C=CCC[NH+]1CC(NC(=O)c2ccc(C3=CCCC3)cc2)C1 ZINC001031504822 800914315 /nfs/dbraw/zinc/91/43/15/800914315.db2.gz QEELBJWNSDXMOR-UHFFFAOYSA-N 1 1 296.414 3.244 20 30 CGEDMO C=Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC(=C)C)cc1 ZINC001032642973 800932509 /nfs/dbraw/zinc/93/25/09/800932509.db2.gz LWSWGMRPHXWEBY-ROUUACIJSA-N 1 1 296.414 3.195 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)C2CCCCCC2)C1 ZINC001032945831 800946077 /nfs/dbraw/zinc/94/60/77/800946077.db2.gz IWDYQXFGQFCNDY-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C)c(C)o2)C1 ZINC001033002539 800948473 /nfs/dbraw/zinc/94/84/73/800948473.db2.gz SQYOBASLNWNARL-OAHLLOKOSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2C(C)C)C1 ZINC001033127723 800953622 /nfs/dbraw/zinc/95/36/22/800953622.db2.gz LARUYOVLHKFAKW-OAHLLOKOSA-N 1 1 286.419 3.142 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2c(C)cccc2C)C1 ZINC001033446048 800964035 /nfs/dbraw/zinc/96/40/35/800964035.db2.gz DKRFBWCEBRUBQC-MRXNPFEDSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccccc2)C1 ZINC001033733735 800977976 /nfs/dbraw/zinc/97/79/76/800977976.db2.gz HHCSBTYKMDLZKF-KRWDZBQOSA-N 1 1 286.419 3.189 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001033834252 800984834 /nfs/dbraw/zinc/98/48/34/800984834.db2.gz VNBCKRCFJCEOJB-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(CC)s2)C1 ZINC001033889129 800986733 /nfs/dbraw/zinc/98/67/33/800986733.db2.gz WGYFPHRENHGSSF-CYBMUJFWSA-N 1 1 292.448 3.033 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(C)ccc2C)C1 ZINC001034027216 800995481 /nfs/dbraw/zinc/99/54/81/800995481.db2.gz XBOZYAIEBPVZJY-INIZCTEOSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)C[C@@H]2C=CCC2)C1 ZINC001034090638 801005057 /nfs/dbraw/zinc/00/50/57/801005057.db2.gz LDELLGVDTNEKMF-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)C=C2CCCCC2)C1 ZINC001034126663 801005599 /nfs/dbraw/zinc/00/55/99/801005599.db2.gz DIOPRDOAKNOFEU-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001034153159 801007926 /nfs/dbraw/zinc/00/79/26/801007926.db2.gz BXMDJGUSZJGYJA-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001034153751 801008002 /nfs/dbraw/zinc/00/80/02/801008002.db2.gz DTNKBDLWWVRIFC-AWEZNQCLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001034225133 801013110 /nfs/dbraw/zinc/01/31/10/801013110.db2.gz FGUSBTPBXAJIBD-AEFFLSMTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2sc(C)cc2C)C1 ZINC001034230620 801013226 /nfs/dbraw/zinc/01/32/26/801013226.db2.gz RXGCDKZRWVJOMX-AWEZNQCLSA-N 1 1 292.448 3.135 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)C2(F)CCCC2)C1 ZINC001034280834 801017229 /nfs/dbraw/zinc/01/72/29/801017229.db2.gz XZPRVYUCKZTFOO-HNNXBMFYSA-N 1 1 296.430 3.206 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC2(C)C)C1 ZINC001034349503 801017435 /nfs/dbraw/zinc/01/74/35/801017435.db2.gz AJQPUQTUAPYUQK-UONOGXRCSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC2(C)C)C1 ZINC001034349503 801017429 /nfs/dbraw/zinc/01/74/29/801017429.db2.gz AJQPUQTUAPYUQK-UONOGXRCSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CC[N@H+]1CCCC[C@@H](NC(=O)C2(C3CCC3)CCC2)C1 ZINC001034334284 801018726 /nfs/dbraw/zinc/01/87/26/801018726.db2.gz MIOJKMHMWPTMEX-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)c2cc(C)co2)C1 ZINC001034353036 801019656 /nfs/dbraw/zinc/01/96/56/801019656.db2.gz UMANWWYNSJJFHW-HNNXBMFYSA-N 1 1 290.407 3.139 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001034384806 801022812 /nfs/dbraw/zinc/02/28/12/801022812.db2.gz IJYJBKYZSHIHDW-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CCCC[C@@H](NC(=O)c2cccc(C3CC3)c2)C1 ZINC001034543231 801031154 /nfs/dbraw/zinc/03/11/54/801031154.db2.gz FRRZFTPZMZSPMC-GOSISDBHSA-N 1 1 298.430 3.334 20 30 CGEDMO C=CC[N@@H+]1CCC2(C1)CCN(C(=O)C(C)(C)C(C)C)CC2 ZINC001035188705 801053853 /nfs/dbraw/zinc/05/38/53/801053853.db2.gz GUAJEXPJTYISQY-UHFFFAOYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2CN(C(=O)c3cccc(C)c3)CC[C@@H]21 ZINC001036631081 801084672 /nfs/dbraw/zinc/08/46/72/801084672.db2.gz QFEZGPPORCMMAD-ROUUACIJSA-N 1 1 298.430 3.108 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CCC3CCC3)CC[C@@H]21 ZINC001036681318 801088632 /nfs/dbraw/zinc/08/86/32/801088632.db2.gz KQFNQQKIPPDHAC-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)CC3(C)CC3)CC[C@H]21 ZINC001036776602 801089795 /nfs/dbraw/zinc/08/97/95/801089795.db2.gz NGMHXSQQEVSDHM-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)CC)CC[C@@H]21 ZINC001036804415 801091196 /nfs/dbraw/zinc/09/11/96/801091196.db2.gz JEFCZACTOXJWOU-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)CC)CC[C@H]21 ZINC001036804090 801091785 /nfs/dbraw/zinc/09/17/85/801091785.db2.gz DMZCPBXGGTZNOD-ZIAGYGMSSA-N 1 1 298.858 3.098 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C)c(C)c3)CC[C@H]21 ZINC001036885952 801093493 /nfs/dbraw/zinc/09/34/93/801093493.db2.gz SYFNZXILSKCZRN-QZTJIDSGSA-N 1 1 298.430 3.026 20 30 CGEDMO Cc1[nH+]c(N2CCC[C@@H](F)C(F)(F)C2)ccc1CC#N ZINC001164065451 806885365 /nfs/dbraw/zinc/88/53/65/806885365.db2.gz ZECRWGSQTVUNFD-GFCCVEGCSA-N 1 1 283.297 3.030 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2ccccc2c1 ZINC001038957831 801138721 /nfs/dbraw/zinc/13/87/21/801138721.db2.gz VJQDLLVXYNJPLF-GOSISDBHSA-N 1 1 294.398 3.220 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1ccc2ccccc2c1 ZINC001038957831 801138724 /nfs/dbraw/zinc/13/87/24/801138724.db2.gz VJQDLLVXYNJPLF-GOSISDBHSA-N 1 1 294.398 3.220 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)c1cc2ccccc2o1 ZINC001038990738 801139665 /nfs/dbraw/zinc/13/96/65/801139665.db2.gz CQSNSVLIQUNBCY-OAHLLOKOSA-N 1 1 298.386 3.203 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C)cc1C ZINC001038981034 801140923 /nfs/dbraw/zinc/14/09/23/801140923.db2.gz CUAZTRYVEYHKEV-MRXNPFEDSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC(C)(C)C1 ZINC001039053706 801142436 /nfs/dbraw/zinc/14/24/36/801142436.db2.gz LMHCTOOIHXEKDJ-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)C12CCC(CC1)CC2 ZINC001039044316 801142795 /nfs/dbraw/zinc/14/27/95/801142795.db2.gz YILATOHEKKQBHP-UPTPFMHGSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C)CC)CC2)C1 ZINC001039105337 801147638 /nfs/dbraw/zinc/14/76/38/801147638.db2.gz WBMYGSINJWQZMC-NVXWUHKLSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C2CCC2)C1 ZINC001039177409 801150837 /nfs/dbraw/zinc/15/08/37/801150837.db2.gz DJCDXHXYZYNVLV-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC)C1 ZINC001039190870 801152018 /nfs/dbraw/zinc/15/20/18/801152018.db2.gz XNMBNHVEASZFDG-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1CCCCC1 ZINC001039328059 801157850 /nfs/dbraw/zinc/15/78/50/801157850.db2.gz AGCLJNYGMQQKLU-SJORKVTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C1CCCC1 ZINC001039458360 801161831 /nfs/dbraw/zinc/16/18/31/801161831.db2.gz RLTFTRRGCMCIEZ-UAGQMJEPSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C1CCCC1 ZINC001039458359 801161937 /nfs/dbraw/zinc/16/19/37/801161937.db2.gz RLTFTRRGCMCIEZ-OIISXLGYSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C(C)C ZINC001039447025 801162557 /nfs/dbraw/zinc/16/25/57/801162557.db2.gz YZRAVEMICJBMGU-BBWFWOEESA-N 1 1 292.467 3.310 20 30 CGEDMO C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)CC3CCCC3)C2)C1 ZINC001040052272 801170743 /nfs/dbraw/zinc/17/07/43/801170743.db2.gz GNBKXPHEHAEFMR-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C)CC)C2)C1 ZINC001040083948 801172009 /nfs/dbraw/zinc/17/20/09/801172009.db2.gz RWLDZANOVVQGNZ-FUHWJXTLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)CC3CCC3)C2)C1 ZINC001040136678 801173881 /nfs/dbraw/zinc/17/38/81/801173881.db2.gz IYDMQNQAKWAJIZ-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](F)CC)C2)C1 ZINC001040332490 801175779 /nfs/dbraw/zinc/17/57/79/801175779.db2.gz QNRHTAIYEFFPPC-WBVHZDCISA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)C3(C)CCC3)C2)C1 ZINC001040336115 801177589 /nfs/dbraw/zinc/17/75/89/801177589.db2.gz GNXMBICGBMXWDQ-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CC[C@]2(CC[N@H+](C(C)C)C2)C1 ZINC001041323297 801189434 /nfs/dbraw/zinc/18/94/34/801189434.db2.gz LEJTXGJKCMBWBD-INIZCTEOSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)C(C)(C)C)C2)C1 ZINC001041406314 801190155 /nfs/dbraw/zinc/19/01/55/801190155.db2.gz BEMJKVYMMHJFBO-CRAIPNDOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)c3cccc(C)c3C)C2)C1 ZINC001041813051 801193530 /nfs/dbraw/zinc/19/35/30/801193530.db2.gz SRBAQHJRBKCHDA-IBGZPJMESA-N 1 1 298.430 3.027 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)C3CCCCC3)C[C@@H]21 ZINC001041909826 801196080 /nfs/dbraw/zinc/19/60/80/801196080.db2.gz KPTLEDTXFZVRCD-WBVHZDCISA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)CC3CCCC3)C[C@H]21 ZINC001041915416 801197630 /nfs/dbraw/zinc/19/76/30/801197630.db2.gz HHVRZPWCKMKHOW-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)C(CC)CC)C[C@H]21 ZINC001041949327 801199182 /nfs/dbraw/zinc/19/91/82/801199182.db2.gz GYPCDQLWCSKZPY-HUUCEWRRSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(CC)CC)C[C@H]21 ZINC001041949327 801199185 /nfs/dbraw/zinc/19/91/85/801199185.db2.gz GYPCDQLWCSKZPY-HUUCEWRRSA-N 1 1 298.858 3.098 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)C(C)(C)C)C[C@H]21 ZINC001042181260 801201758 /nfs/dbraw/zinc/20/17/58/801201758.db2.gz FNAYGNDMEGLEOK-LSDHHAIUSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](CCC(C)C)[C@@H]2C1 ZINC001042183136 801202409 /nfs/dbraw/zinc/20/24/09/801202409.db2.gz OFGGJVBAFQVAHS-HZPDHXFCSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C1CC(C)(C(=O)N(C)C2C[NH+]([C@H](C)c3ccccc3)C2)C1 ZINC001043794243 801223061 /nfs/dbraw/zinc/22/30/61/801223061.db2.gz FSCYOJBTMGBYMH-OAHLLOKOSA-N 1 1 298.430 3.247 20 30 CGEDMO C[C@@H]1CCN(c2[nH+]ccc3[nH]cc(C#N)c32)CCC1(F)F ZINC001164114744 806893462 /nfs/dbraw/zinc/89/34/62/806893462.db2.gz BCYXPULSPCYIHR-SNVBAGLBSA-N 1 1 290.317 3.306 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001046320541 801307552 /nfs/dbraw/zinc/30/75/52/801307552.db2.gz JMCOLKOYWZZZBS-DOTOQJQBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001046415842 801309239 /nfs/dbraw/zinc/30/92/39/801309239.db2.gz SUEZDKQXPZJUSV-WMZOPIPTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)c2sccc2Cl)C1 ZINC001046338687 801310326 /nfs/dbraw/zinc/31/03/26/801310326.db2.gz YJZFUOKLASUUST-CQSZACIVSA-N 1 1 298.839 3.172 20 30 CGEDMO C=C1CCC(C(=O)N[C@@]2(C)CC[N@H+](CCC(C)C)C2)CC1 ZINC001046598097 801317301 /nfs/dbraw/zinc/31/73/01/801317301.db2.gz MENOOTPPJQPJCU-SFHVURJKSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)C2CCC(=C)CC2)C1 ZINC001046594676 801317641 /nfs/dbraw/zinc/31/76/41/801317641.db2.gz NAQMYPDQLPXAKH-GOSISDBHSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2cc(C)c(C)s2)C1 ZINC001046826144 801328300 /nfs/dbraw/zinc/32/83/00/801328300.db2.gz UTZCFAKDMJTGEX-INIZCTEOSA-N 1 1 292.448 3.135 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)C2CCC=CCC2)C1 ZINC001046843374 801328836 /nfs/dbraw/zinc/32/88/36/801328836.db2.gz UZLGIBNTWRRZFZ-SFHVURJKSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)c2cccc(C3CC3)c2)C1 ZINC001046858899 801331080 /nfs/dbraw/zinc/33/10/80/801331080.db2.gz FUYBCSUVFAADCE-LJQANCHMSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)CC ZINC001049340717 801366159 /nfs/dbraw/zinc/36/61/59/801366159.db2.gz SPFGSZOGOPCPRB-HRCADAONSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC(C)(C)C1CC1 ZINC001049456613 801374247 /nfs/dbraw/zinc/37/42/47/801374247.db2.gz NGAKRRZEKOIMLM-CVEARBPZSA-N 1 1 290.451 3.064 20 30 CGEDMO Cc1[nH+]c(N(C)Cc2cnc(Cl)s2)ccc1CC#N ZINC001164169360 806905920 /nfs/dbraw/zinc/90/59/20/806905920.db2.gz NBFUQRSMSOMCDF-UHFFFAOYSA-N 1 1 292.795 3.202 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC1(C)C ZINC001049664308 801382327 /nfs/dbraw/zinc/38/23/27/801382327.db2.gz RBLVVUDZQLVBRD-BZUAXINKSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCF ZINC001049693401 801384439 /nfs/dbraw/zinc/38/44/39/801384439.db2.gz MPDGNUNGOOHWAQ-HLLBOEOZSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC(C)(C)C1 ZINC001049701046 801386490 /nfs/dbraw/zinc/38/64/90/801386490.db2.gz YSPXBVLTXQSYJN-OWCLPIDISA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)c3cccc(C)c3)[C@@H]2C1 ZINC001049958303 801395951 /nfs/dbraw/zinc/39/59/51/801395951.db2.gz XBJUYEULXWSYHC-ZWKOTPCHSA-N 1 1 298.430 3.108 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C2CCCCC2)CC1 ZINC001052165045 801423255 /nfs/dbraw/zinc/42/32/55/801423255.db2.gz GGLUEPYMHYWCJT-OAHLLOKOSA-N 1 1 298.858 3.290 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[C@H]2C=CCC2)CC1 ZINC001052187745 801424457 /nfs/dbraw/zinc/42/44/57/801424457.db2.gz OZSCQCLZTYXKSU-LSDHHAIUSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2c(C)coc2C)CC1 ZINC001052353456 801431011 /nfs/dbraw/zinc/43/10/11/801431011.db2.gz IQSXIMVJOCRUBB-OAHLLOKOSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C2CCCC2)CC1 ZINC001052451312 801434713 /nfs/dbraw/zinc/43/47/13/801434713.db2.gz FHQJGZSIFBGWCW-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)C2CCC2)CC1 ZINC001052486010 801436954 /nfs/dbraw/zinc/43/69/54/801436954.db2.gz GSFCJJUFVYZBNW-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC2(C)C)CC1 ZINC001052638415 801443144 /nfs/dbraw/zinc/44/31/44/801443144.db2.gz YGMPBWOQSOLHKS-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC2(C)C)CC1 ZINC001052638417 801443366 /nfs/dbraw/zinc/44/33/66/801443366.db2.gz YGMPBWOQSOLHKS-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2occc2CC)CC1 ZINC001052686677 801447172 /nfs/dbraw/zinc/44/71/72/801447172.db2.gz MQJBCZFTEJGBQN-HNNXBMFYSA-N 1 1 290.407 3.002 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)cc(C)c2)CC1 ZINC001052893557 801455323 /nfs/dbraw/zinc/45/53/23/801455323.db2.gz BXSVENBVZRGZBG-KRWDZBQOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C2CC2)C1 ZINC001053060010 801466257 /nfs/dbraw/zinc/46/62/57/801466257.db2.gz BQGLYWUQUCUYAE-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C2CCC2)C1 ZINC001053060009 801466324 /nfs/dbraw/zinc/46/63/24/801466324.db2.gz BPZBSRNZSKXDKI-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C(C)C)C1 ZINC001053073627 801468098 /nfs/dbraw/zinc/46/80/98/801468098.db2.gz XMQGIPXOPVOCHW-SJORKVTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C=C(C)C)C2 ZINC001054078062 801472103 /nfs/dbraw/zinc/47/21/03/801472103.db2.gz GHOCRLPKZNPDLV-SFHVURJKSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[C@]3(CC[N@H+](CC)C3)C2)CC1 ZINC001054189290 801477458 /nfs/dbraw/zinc/47/74/58/801477458.db2.gz FFFXCHKMZRGOQW-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C)C(C)C)C2 ZINC001054206231 801479877 /nfs/dbraw/zinc/47/98/77/801479877.db2.gz BMPFDUORFQNNQC-AEFFLSMTSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@H+]1Cc2ccc(CNC(=O)C3CCCC3)cc2C1 ZINC001054253003 801480525 /nfs/dbraw/zinc/48/05/25/801480525.db2.gz KSASHXWWNJBYEC-UHFFFAOYSA-N 1 1 298.430 3.385 20 30 CGEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)c3occc3C)cc2C1 ZINC001054255262 801482510 /nfs/dbraw/zinc/48/25/10/801482510.db2.gz JFNXZNTXPQGDAX-UHFFFAOYSA-N 1 1 296.370 3.020 20 30 CGEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)c3occc3C)cc2C1 ZINC001054255262 801482514 /nfs/dbraw/zinc/48/25/14/801482514.db2.gz JFNXZNTXPQGDAX-UHFFFAOYSA-N 1 1 296.370 3.020 20 30 CGEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@@H]3C(C)C)cc2C1 ZINC001054288492 801483312 /nfs/dbraw/zinc/48/33/12/801483312.db2.gz YTLZAFXIRBEJPF-QZTJIDSGSA-N 1 1 298.430 3.097 20 30 CGEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@@H]3C(C)C)cc2C1 ZINC001054288492 801483319 /nfs/dbraw/zinc/48/33/19/801483319.db2.gz YTLZAFXIRBEJPF-QZTJIDSGSA-N 1 1 298.430 3.097 20 30 CGEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3C[C@@]3(C)CC)cc2C1 ZINC001054288398 801484675 /nfs/dbraw/zinc/48/46/75/801484675.db2.gz VLAFRZCFSPRIOP-IEBWSBKVSA-N 1 1 298.430 3.241 20 30 CGEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3C[C@@]3(C)CC)cc2C1 ZINC001054288398 801484678 /nfs/dbraw/zinc/48/46/78/801484678.db2.gz VLAFRZCFSPRIOP-IEBWSBKVSA-N 1 1 298.430 3.241 20 30 CGEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3C[C@]3(C)CC)cc2C1 ZINC001054288399 801485029 /nfs/dbraw/zinc/48/50/29/801485029.db2.gz VLAFRZCFSPRIOP-MJGOQNOKSA-N 1 1 298.430 3.241 20 30 CGEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3C[C@]3(C)CC)cc2C1 ZINC001054288399 801485033 /nfs/dbraw/zinc/48/50/33/801485033.db2.gz VLAFRZCFSPRIOP-MJGOQNOKSA-N 1 1 298.430 3.241 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccccc2C)CC[C@@H]1C ZINC001071319760 801527508 /nfs/dbraw/zinc/52/75/08/801527508.db2.gz UQFANJBKUFHOCW-HOTGVXAUSA-N 1 1 286.419 3.154 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)C(C)=C2CCCC2)CC[C@@H]1C ZINC001071419849 801534799 /nfs/dbraw/zinc/53/47/99/801534799.db2.gz FQFJJBQDUKOITP-WMLDXEAASA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2(C3CC3)CC2)CC[C@@H]1C ZINC001071597785 801542164 /nfs/dbraw/zinc/54/21/64/801542164.db2.gz OANWDBOSERJKBW-HOCLYGCPSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2ccc3occc3c2)CC[C@H]1C ZINC001071526109 801543896 /nfs/dbraw/zinc/54/38/96/801543896.db2.gz QIPQHFCWTOEXMQ-CZUORRHYSA-N 1 1 298.386 3.202 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)C(C)(C)C2CCC2)CC[C@@H]1C ZINC001071708144 801545340 /nfs/dbraw/zinc/54/53/40/801545340.db2.gz AQIWAUNXXJXAMT-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@H+]1C[C@H](NC(=O)c2occc2CC)CC[C@H]1C ZINC001071800105 801552440 /nfs/dbraw/zinc/55/24/40/801552440.db2.gz RDYJMZGRUPASBD-UKRRQHHQSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)c2cc(Cl)cs2)CC[C@@H]1C ZINC001071868211 801556812 /nfs/dbraw/zinc/55/68/12/801556812.db2.gz HUOUVQQPIYIJDU-CMPLNLGQSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2cc(Cl)cs2)CC[C@@H]1C ZINC001071868211 801556821 /nfs/dbraw/zinc/55/68/21/801556821.db2.gz HUOUVQQPIYIJDU-CMPLNLGQSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1CCC2(CN(C(=O)C3(C)CCCCCC3)C2)C1 ZINC001072820342 801573536 /nfs/dbraw/zinc/57/35/36/801573536.db2.gz NNVKOGBYQBMMBL-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(C3CCC3)c2)C1 ZINC001080779415 801655435 /nfs/dbraw/zinc/65/54/35/801655435.db2.gz MHVZJCFYMYGGIW-RDTXWAMCSA-N 1 1 298.430 3.190 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001081014010 801657986 /nfs/dbraw/zinc/65/79/86/801657986.db2.gz NXLAHQCOIHXOOJ-OWCLPIDISA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C(=C)C)[C@@H]2C1 ZINC001084574076 801667542 /nfs/dbraw/zinc/66/75/42/801667542.db2.gz PETLNALGQQUOMK-HZPDHXFCSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001085604900 801696744 /nfs/dbraw/zinc/69/67/44/801696744.db2.gz UUTDAIWZHLRIBX-ARFHVFGLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C12CCC(CC1)C2 ZINC001085675751 801699435 /nfs/dbraw/zinc/69/94/35/801699435.db2.gz ZFUVJLCHIKISII-UPTPFMHGSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC12CC2 ZINC001085670498 801699534 /nfs/dbraw/zinc/69/95/34/801699534.db2.gz XGBYVCKIFWYGIL-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C(C)C)oc1C ZINC001085902084 801709419 /nfs/dbraw/zinc/70/94/19/801709419.db2.gz UNGDCGPCVAZVKL-CQSZACIVSA-N 1 1 290.407 3.044 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C(C)C)oc1C ZINC001085902084 801709423 /nfs/dbraw/zinc/70/94/23/801709423.db2.gz UNGDCGPCVAZVKL-CQSZACIVSA-N 1 1 290.407 3.044 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1Cl ZINC001085937360 801711937 /nfs/dbraw/zinc/71/19/37/801711937.db2.gz DBAVXDRQURYYGU-CYBMUJFWSA-N 1 1 292.810 3.062 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(C)c1C ZINC001085955213 801714485 /nfs/dbraw/zinc/71/44/85/801714485.db2.gz URHQDYSNDMPADT-MRXNPFEDSA-N 1 1 286.419 3.026 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C12CCC(CC1)CC2 ZINC001085983861 801715882 /nfs/dbraw/zinc/71/58/82/801715882.db2.gz QJZCWTPYTIPEJG-PQUAAJSLSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2)[C@H]1CC ZINC001087490242 801753369 /nfs/dbraw/zinc/75/33/69/801753369.db2.gz MIMMRJZAAAAFLP-DLBZAZTESA-N 1 1 286.419 3.236 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C2CCC2)[C@H]1CC ZINC001087620125 801760306 /nfs/dbraw/zinc/76/03/06/801760306.db2.gz RYWUHSMSWMNKOX-BHYGNILZSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCC2(C)C)[C@H]1CC ZINC001087843310 801770984 /nfs/dbraw/zinc/77/09/84/801770984.db2.gz PYFXSXOMRGTQJV-HRCADAONSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C3CCC3)cc2)[C@H]1C ZINC001088606236 801803292 /nfs/dbraw/zinc/80/32/92/801803292.db2.gz HGLOXFZNCQCXNT-KDOFPFPSSA-N 1 1 298.430 3.333 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cc(C)cc(Cl)c2)[C@H]1C ZINC001088748240 801805824 /nfs/dbraw/zinc/80/58/24/801805824.db2.gz WIOWBBFXMQCBRS-DOMZBBRYSA-N 1 1 292.810 3.027 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)C=CCC3)[C@H]1C ZINC001088915442 801813973 /nfs/dbraw/zinc/81/39/73/801813973.db2.gz CWBDZTGLWKPCPH-KDOFPFPSSA-N 1 1 296.414 3.025 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CC=C(C)CC2)[C@H]1C ZINC001089054291 801818271 /nfs/dbraw/zinc/81/82/71/801818271.db2.gz JQOFGVOPWLMFEH-SOLBZPMBSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C23CCC(CC2)CC3)[C@H]1C ZINC001089054685 801818736 /nfs/dbraw/zinc/81/87/36/801818736.db2.gz ANSWQKXDIROZKB-CTMQZQKCSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)CC2CCCC2)CC(C)(C)C1 ZINC001089305015 801831765 /nfs/dbraw/zinc/83/17/65/801831765.db2.gz DCACJXBPCNTGOA-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccsc2)CC(C)(C)C1 ZINC001089310755 801832400 /nfs/dbraw/zinc/83/24/00/801832400.db2.gz VRGBRZDOXQOYTP-AWEZNQCLSA-N 1 1 292.448 3.155 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccsc2)CC(C)(C)C1 ZINC001089310756 801833410 /nfs/dbraw/zinc/83/34/10/801833410.db2.gz VRGBRZDOXQOYTP-CQSZACIVSA-N 1 1 292.448 3.155 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C2CC(C)C2)CC(C)(C)C1 ZINC001089356821 801835839 /nfs/dbraw/zinc/83/58/39/801835839.db2.gz FIDMCSDSJLNHMU-UYSNPLJNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@@H]2C)CC(C)(C)C1 ZINC001089466294 801840048 /nfs/dbraw/zinc/84/00/48/801840048.db2.gz CMCNAEDNQDNZTB-YUTCNCBUSA-N 1 1 298.858 3.002 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](CNC(=O)C2CCCCCC2)[C@H](C)C1 ZINC001092502846 801862548 /nfs/dbraw/zinc/86/25/48/801862548.db2.gz REYWWBQNJJGZGZ-NVXWUHKLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@H+]1C[C@@H](CNC(=O)C2CCCCCCC2)[C@H](C)C1 ZINC001092811261 801864495 /nfs/dbraw/zinc/86/44/95/801864495.db2.gz XWFYNVCAZPRDSY-NVXWUHKLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(C)CC=CCC1)C2 ZINC001095461180 801883126 /nfs/dbraw/zinc/88/31/26/801883126.db2.gz BBJJGXDLTKLVEG-CVYDXHPNSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[C@H](C)CC1)C2 ZINC001096389764 801889302 /nfs/dbraw/zinc/88/93/02/801889302.db2.gz WYQBGGXNCZYAQI-MTSZKFMLSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1C=CCCC1)C2 ZINC001097318262 801900439 /nfs/dbraw/zinc/90/04/39/801900439.db2.gz NNCURWJZCWZSRP-HZMVEIRTSA-N 1 1 288.435 3.030 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC(C)C)C1 ZINC001097808368 801904255 /nfs/dbraw/zinc/90/42/55/801904255.db2.gz AVDZOGSHSVIGEE-OAGGEKHMSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@@H](C)CC)C1 ZINC001097805061 801905377 /nfs/dbraw/zinc/90/53/77/801905377.db2.gz GNBBNRJKOZMIAK-XZDPQHSOSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2=CCCC2)C1 ZINC001098787362 801913253 /nfs/dbraw/zinc/91/32/53/801913253.db2.gz ACUNBMVKVDNGBV-WMZOPIPTSA-N 1 1 288.435 3.034 20 30 CGEDMO C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC(C)C ZINC001098873129 801918418 /nfs/dbraw/zinc/91/84/18/801918418.db2.gz JYJXLMCRLJQXIM-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCCC ZINC001098909717 801920205 /nfs/dbraw/zinc/92/02/05/801920205.db2.gz CPKQGNSXRVBSNH-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(F)=C(C)C ZINC001099011679 801924942 /nfs/dbraw/zinc/92/49/42/801924942.db2.gz AYIHKPPKAPZGGS-CYBMUJFWSA-N 1 1 282.403 3.043 20 30 CGEDMO C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(F)=C(C)C ZINC001099013345 801925859 /nfs/dbraw/zinc/92/58/59/801925859.db2.gz VZNIQZJJLVORNA-AWEZNQCLSA-N 1 1 296.430 3.433 20 30 CGEDMO C=C1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CCC)C3)CC1 ZINC001099012759 801926110 /nfs/dbraw/zinc/92/61/10/801926110.db2.gz NSGGSWZQMKMPFB-WMZOPIPTSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC ZINC001099171813 801930112 /nfs/dbraw/zinc/93/01/12/801930112.db2.gz UJZXWXUMUYELCK-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CCCCCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC ZINC001099170975 801930312 /nfs/dbraw/zinc/93/03/12/801930312.db2.gz MJWPZDYMOVAXNO-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H](C)C1CC1 ZINC001099360555 801936334 /nfs/dbraw/zinc/93/63/34/801936334.db2.gz YPNPXSUJHOXSNM-GOEBONIOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H](C)C1CC1 ZINC001099360559 801936873 /nfs/dbraw/zinc/93/68/73/801936873.db2.gz YPNPXSUJHOXSNM-ZBFHGGJFSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C ZINC001101805116 801990975 /nfs/dbraw/zinc/99/09/75/801990975.db2.gz IAKBWSAKTZWQIE-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1C ZINC001101805295 801992313 /nfs/dbraw/zinc/99/23/13/801992313.db2.gz LISITVMGBPENLN-NVXWUHKLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](CNC(=O)C(C)=C2CCCC2)[C@H](C)C1 ZINC001101871186 801993746 /nfs/dbraw/zinc/99/37/46/801993746.db2.gz RPPKXGJGZBSMRE-RHSMWYFYSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)C(C)(C)C)[C@H](C)C1 ZINC001102093629 801998569 /nfs/dbraw/zinc/99/85/69/801998569.db2.gz VAUHPJDPTWRJNA-BZUAXINKSA-N 1 1 294.483 3.319 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NC[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C ZINC001102261399 802002834 /nfs/dbraw/zinc/00/28/34/802002834.db2.gz XZTQAVINBJSLOE-ZMSDIMECSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCCCC(=O)NC[C@@H]1C[N@@H+](CC2CC(C)C2)C[C@H]1C ZINC001102298666 802005559 /nfs/dbraw/zinc/00/55/59/802005559.db2.gz ZGYZIBBTWSLDPD-MNAZLIDISA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)CCCCCC)[C@H](C)C1 ZINC001102476748 802009525 /nfs/dbraw/zinc/00/95/25/802009525.db2.gz ZBKOMWYRAPGXNO-GVDBMIGSSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC)CC(C)C)[C@H](C)C1 ZINC001102500873 802011066 /nfs/dbraw/zinc/01/10/66/802011066.db2.gz LEFLYNBEPFXECY-IXDOHACOSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)CCC)C1 ZINC001102762189 802020464 /nfs/dbraw/zinc/02/04/64/802020464.db2.gz QNDXDQNONDXVAC-BZUAXINKSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[C@@H]1C[N@@H+](CCCCC)C[C@H]1C ZINC001103313137 802028530 /nfs/dbraw/zinc/02/85/30/802028530.db2.gz CJTGDVIKMUFPOE-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)CC(=C)C)C1 ZINC001103346596 802031940 /nfs/dbraw/zinc/03/19/40/802031940.db2.gz NSSLVAJBDIDBID-GVDBMIGSSA-N 1 1 292.467 3.239 20 30 CGEDMO C=C[C@H](CC)CC(=O)NCC[C@@H]1C[N@@H+](CC(C)C)C[C@H]1C ZINC001103350255 802033710 /nfs/dbraw/zinc/03/37/10/802033710.db2.gz LQRNXJKCDHCPMU-BRWVUGGUSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(C(C)C)CC2)C1 ZINC001103418280 802034414 /nfs/dbraw/zinc/03/44/14/802034414.db2.gz AGWZQWHZYUUKLU-HZPDHXFCSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)CC)CCC[C@@H]12 ZINC001107286600 802082780 /nfs/dbraw/zinc/08/27/80/802082780.db2.gz NVLKLHBUPKUVQZ-JFIYKMOQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)C3(CCC)CC3)CCC[C@@H]12 ZINC001107538137 802089518 /nfs/dbraw/zinc/08/95/18/802089518.db2.gz HZJYHXONJSGRLZ-CRAIPNDOSA-N 1 1 290.451 3.114 20 30 CGEDMO CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC1)C2 ZINC001108856521 802102649 /nfs/dbraw/zinc/10/26/49/802102649.db2.gz XPAGQZBJZHGTCE-IKGGRYGDSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)c1ccccc1 ZINC001109042937 802106834 /nfs/dbraw/zinc/10/68/34/802106834.db2.gz GYSMFSYBXUADSW-BGTYHANMSA-N 1 1 298.430 3.435 20 30 CGEDMO C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCC ZINC001109171143 802110840 /nfs/dbraw/zinc/11/08/40/802110840.db2.gz FVWRRWUZWHQBSZ-IKGGRYGDSA-N 1 1 290.451 3.092 20 30 CGEDMO CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1C)C2 ZINC001109600851 802118281 /nfs/dbraw/zinc/11/82/81/802118281.db2.gz QNUCEBLKISUFNF-MTSZKFMLSA-N 1 1 292.467 3.334 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC/C=C\CC ZINC001109603073 802119390 /nfs/dbraw/zinc/11/93/90/802119390.db2.gz GTTGUUNKBCLLTG-WCJAYBPRSA-N 1 1 290.451 3.276 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)C ZINC001109634557 802121513 /nfs/dbraw/zinc/12/15/13/802121513.db2.gz PWWJDNPCLTUTKH-NCOADZHNSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H](C)CC)C2 ZINC001109876646 802128047 /nfs/dbraw/zinc/12/80/47/802128047.db2.gz ULRCGOQTWXQCQP-FZKCQIBNSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC/C=C/CC ZINC001110378652 802137442 /nfs/dbraw/zinc/13/74/42/802137442.db2.gz AJKJJXNJNHUHDQ-WWDFRNIQSA-N 1 1 276.424 3.030 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)/C(C)=C/C)C2 ZINC001110435873 802141865 /nfs/dbraw/zinc/14/18/65/802141865.db2.gz YNBVRGHZEKTKDD-FHDNQGSHSA-N 1 1 276.424 3.029 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(=C)C ZINC001110609624 802146788 /nfs/dbraw/zinc/14/67/88/802146788.db2.gz NYVYFWSSIFMZEP-OAGGEKHMSA-N 1 1 276.424 3.030 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C1CCC1)C2 ZINC001110706043 802146973 /nfs/dbraw/zinc/14/69/73/802146973.db2.gz RRIYCMAEYNUAFX-SVGFKBNWSA-N 1 1 290.451 3.110 20 30 CGEDMO CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](F)CC)C2 ZINC001110905023 802148493 /nfs/dbraw/zinc/14/84/93/802148493.db2.gz FVAUIEIUBJHLQF-FPCVCCKLSA-N 1 1 298.446 3.426 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](C)CC ZINC001110890812 802148593 /nfs/dbraw/zinc/14/85/93/802148593.db2.gz ISDZDPUENHWTIT-JJXSEGSLSA-N 1 1 292.467 3.356 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(C)C ZINC001110888469 802148882 /nfs/dbraw/zinc/14/88/82/802148882.db2.gz FYJJRLSXRFNGCC-OAGGEKHMSA-N 1 1 290.451 3.276 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(C)=C(C)C)C2 ZINC001110906831 802148969 /nfs/dbraw/zinc/14/89/69/802148969.db2.gz MCFGSAFMJRBDIO-OAGGEKHMSA-N 1 1 276.424 3.030 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC/C=C/CC ZINC001110964562 802152811 /nfs/dbraw/zinc/15/28/11/802152811.db2.gz QIICHYUKZPTTSW-VFIOGSBDSA-N 1 1 290.451 3.421 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC1(C)CC1)C2 ZINC001111226848 802159188 /nfs/dbraw/zinc/15/91/88/802159188.db2.gz WMXYKPDIFJDRLQ-OAGGEKHMSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC(C)C)C1 ZINC001111584461 802163014 /nfs/dbraw/zinc/16/30/14/802163014.db2.gz WDVPMTQFCHZLKY-WMZOPIPTSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC(=C)C)C1 ZINC001111764774 802168713 /nfs/dbraw/zinc/16/87/13/802168713.db2.gz AOKMYPHSGGFEOP-WMZOPIPTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](C[C@@H](F)CC)C2 ZINC001111765041 802169002 /nfs/dbraw/zinc/16/90/02/802169002.db2.gz RJGUIZRMGYSGFT-ZOBUZTSGSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=C)Cl)C2 ZINC001111855795 802171110 /nfs/dbraw/zinc/17/11/10/802171110.db2.gz MKSBEBQFFQVPOO-HOCLYGCPSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=C)Cl)C2 ZINC001111855795 802171114 /nfs/dbraw/zinc/17/11/14/802171114.db2.gz MKSBEBQFFQVPOO-HOCLYGCPSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CCCCCC[NH+]1CCN(C(=O)[C@H](CC)SC)CC1 ZINC001112767897 802189928 /nfs/dbraw/zinc/18/99/28/802189928.db2.gz JJYTZBCLPWTVNF-HNNXBMFYSA-N 1 1 298.496 3.019 20 30 CGEDMO C=CCCC[NH+]1CCN(C(=O)c2sc(C)cc2C)CC1 ZINC001112893531 802195709 /nfs/dbraw/zinc/19/57/09/802195709.db2.gz OGYRTCFRSHEVAZ-UHFFFAOYSA-N 1 1 292.448 3.089 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)C[C@H](CC)CCCC)CC1 ZINC001113120684 802201837 /nfs/dbraw/zinc/20/18/37/802201837.db2.gz IVZVMAYBROOTSO-MRXNPFEDSA-N 1 1 280.456 3.313 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(CC)CC)C[C@H]21 ZINC001114681561 802242919 /nfs/dbraw/zinc/24/29/19/802242919.db2.gz VJIBHRBZYLYDBU-ZSHCYNCHSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC001114726298 802243744 /nfs/dbraw/zinc/24/37/44/802243744.db2.gz KENNNRGRWUCUFR-AIANPOQGSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(CC)(CC)CC ZINC001115020879 802250965 /nfs/dbraw/zinc/25/09/65/802250965.db2.gz RKNZZPKHMHWHAY-ZSHCYNCHSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)CC(C)C ZINC001115107575 802253199 /nfs/dbraw/zinc/25/31/99/802253199.db2.gz DWOQAPTZHFAXPB-LISAXSMJSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)CC(C)C ZINC001115107574 802253495 /nfs/dbraw/zinc/25/34/95/802253495.db2.gz DWOQAPTZHFAXPB-CBZIJGRNSA-N 1 1 292.467 3.071 20 30 CGEDMO C#CC[N@H+](Cc1ccc2ncccc2c1)CC1CC1 ZINC001116450211 802353730 /nfs/dbraw/zinc/35/37/30/802353730.db2.gz ZVHKWOKXOXUZSR-UHFFFAOYSA-N 1 1 250.345 3.080 20 30 CGEDMO C=CCn1cnn(C[N@H+]2CCC[C@@H](C(C)(C)C)C2)c1=S ZINC001116886093 802425263 /nfs/dbraw/zinc/42/52/63/802425263.db2.gz FUDFMETVYACZEB-CYBMUJFWSA-N 1 1 294.468 3.316 20 30 CGEDMO C=CCn1cnn(C[N@@H+]2CCC[C@@H](C(C)(C)C)C2)c1=S ZINC001116886093 802425265 /nfs/dbraw/zinc/42/52/65/802425265.db2.gz FUDFMETVYACZEB-CYBMUJFWSA-N 1 1 294.468 3.316 20 30 CGEDMO CCCCN1CCC([N@H+](C)[C@@H](C)CCCC#N)CC1 ZINC001172501760 808357351 /nfs/dbraw/zinc/35/73/51/808357351.db2.gz FJTTUOOGCRPDPM-HNNXBMFYSA-N 1 1 265.445 3.265 20 30 CGEDMO CCCCN1CCC([N@@H+](C)[C@@H](C)CCCC#N)CC1 ZINC001172501760 808357355 /nfs/dbraw/zinc/35/73/55/808357355.db2.gz FJTTUOOGCRPDPM-HNNXBMFYSA-N 1 1 265.445 3.265 20 30 CGEDMO C=CCN1CC[C@@]2(CCC[N@@H+]2C[C@@H](C)c2ccccc2)C1=O ZINC001273080399 808832882 /nfs/dbraw/zinc/83/28/82/808832882.db2.gz YKGCOSTZRWONER-APWZRJJASA-N 1 1 298.430 3.043 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(C(C)=O)cc2)C1 ZINC001118557154 802582752 /nfs/dbraw/zinc/58/27/52/802582752.db2.gz CAZYIECZWUSJFB-OAHLLOKOSA-N 1 1 255.361 3.125 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001118883947 802614045 /nfs/dbraw/zinc/61/40/45/802614045.db2.gz OIRNVWAIHTYITH-INIZCTEOSA-N 1 1 268.404 3.132 20 30 CGEDMO CCC[C@@H](C)[N@@H+](C)Cc1cc(C#N)ccc1N(C)C ZINC001180275237 809988296 /nfs/dbraw/zinc/98/82/96/809988296.db2.gz KNWIVLHYNOZJFH-CYBMUJFWSA-N 1 1 259.397 3.245 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCC(C)C)C1 ZINC001120320696 802739097 /nfs/dbraw/zinc/73/90/97/802739097.db2.gz RTBSXMPAUJQKNU-IRXDYDNUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CC)C1 ZINC001120391708 802743666 /nfs/dbraw/zinc/74/36/66/802743666.db2.gz GELJAIFAQNVTFE-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCCF)C1 ZINC001120413530 802744654 /nfs/dbraw/zinc/74/46/54/802744654.db2.gz MIMMYEQLQHUBFO-CVEARBPZSA-N 1 1 296.430 3.015 20 30 CGEDMO C#CCCCC(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC001127538496 803144782 /nfs/dbraw/zinc/14/47/82/803144782.db2.gz JUHNRXGHIZARFY-UHFFFAOYSA-N 1 1 284.403 3.065 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)c2ccccc2)CC[C@H]1C ZINC001131750864 803342545 /nfs/dbraw/zinc/34/25/45/803342545.db2.gz BNVSCZMBIVUWNH-NVXWUHKLSA-N 1 1 286.419 3.236 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)CCC2CCCC2)CC[C@@H]1C ZINC001131764706 803343310 /nfs/dbraw/zinc/34/33/10/803343310.db2.gz MFXVQSLCHVYEKC-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)c2occc2C)CC[C@@H]1C ZINC001131808939 803348132 /nfs/dbraw/zinc/34/81/32/803348132.db2.gz QRHFVZDZWPVSJI-LSDHHAIUSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C=C(CC)CC)CC[C@H]1C ZINC001131950770 803362208 /nfs/dbraw/zinc/36/22/08/803362208.db2.gz OBYCNISIIZYYJB-HIFRSBDPSA-N 1 1 298.858 3.454 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C=C(CC)CC)CC[C@H]1C ZINC001131950770 803362216 /nfs/dbraw/zinc/36/22/16/803362216.db2.gz OBYCNISIIZYYJB-HIFRSBDPSA-N 1 1 298.858 3.454 20 30 CGEDMO C#CCCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCC(C)C)C1 ZINC001131977440 803363859 /nfs/dbraw/zinc/36/38/59/803363859.db2.gz XFNKDGILLPCWML-SJORKVTESA-N 1 1 292.467 3.195 20 30 CGEDMO C#CCCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC=C(C)C)C1 ZINC001131976440 803364754 /nfs/dbraw/zinc/36/47/54/803364754.db2.gz KMLJIBOJAIIKKT-SJORKVTESA-N 1 1 290.451 3.115 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCCCCC)C1 ZINC001131996565 803365318 /nfs/dbraw/zinc/36/53/18/803365318.db2.gz VRJOZNSWUAZIQY-DLBZAZTESA-N 1 1 292.467 3.339 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](NC(=O)C2(CC(C)C)CC2)CC[C@H]1C ZINC001132086147 803372927 /nfs/dbraw/zinc/37/29/27/803372927.db2.gz CVACZOSBWBZQIH-CVEARBPZSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)C2(CC(C)C)CCC2)CC[C@H]1C ZINC001132168763 803375992 /nfs/dbraw/zinc/37/59/92/803375992.db2.gz FUKKJEUNJQWWPA-CVEARBPZSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](CC=C(C)C)C1 ZINC001132227271 803381860 /nfs/dbraw/zinc/38/18/60/803381860.db2.gz BFVCFUXMNSTJOQ-CABCVRRESA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cocc2C)CC[C@H]1C ZINC001132228087 803382991 /nfs/dbraw/zinc/38/29/91/803382991.db2.gz MBYIUGGBKKCLCQ-CABCVRRESA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCC(=C)C)C1 ZINC001132256094 803388534 /nfs/dbraw/zinc/38/85/34/803388534.db2.gz JEHPTRIXASYLRB-HZPDHXFCSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)C2CC3(CC3)C2)CC[C@H]1C ZINC001132291289 803392864 /nfs/dbraw/zinc/39/28/64/803392864.db2.gz IYFKOWGZIGWKRA-GDBMZVCRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC1(CC(=O)NC[C@@H]2CCCC[N@@H+]2C)CCCCC1 ZINC001134767709 803555986 /nfs/dbraw/zinc/55/59/86/803555986.db2.gz DEMLSAMQQHHLAE-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO COc1ccc(C[N@H+]2CCCC[C@@H](C)C2)c(C#N)c1 ZINC001137698496 803758923 /nfs/dbraw/zinc/75/89/23/803758923.db2.gz ZKPKJNQTUBUMAZ-CYBMUJFWSA-N 1 1 258.365 3.189 20 30 CGEDMO CN(C)c1ccc(C[N@H+]2CCc3cc(C#N)ccc3C2)s1 ZINC001138489536 803950793 /nfs/dbraw/zinc/95/07/93/803950793.db2.gz LWIZLSMAUYSECC-UHFFFAOYSA-N 1 1 297.427 3.244 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2C[C@@H](C)CC23CC3)cc1 ZINC001138560479 803968401 /nfs/dbraw/zinc/96/84/01/803968401.db2.gz XDDXLKUJPRCSBV-AWEZNQCLSA-N 1 1 255.361 3.073 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCCC[C@@H]2CCOC)cc1 ZINC001138559467 803969383 /nfs/dbraw/zinc/96/93/83/803969383.db2.gz VIFICFFIKCEIQI-QGZVFWFLSA-N 1 1 287.403 3.090 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2CC[C@](C)(CF)C2)c1O ZINC001138625243 803981902 /nfs/dbraw/zinc/98/19/02/803981902.db2.gz IKHTUXRWYHWLHV-MRXNPFEDSA-N 1 1 263.356 3.302 20 30 CGEDMO C=CCc1cccc(C[N@@H+](C)CCc2ccccn2)c1O ZINC001138623507 803982812 /nfs/dbraw/zinc/98/28/12/803982812.db2.gz HKKYCRMXAKEVCS-UHFFFAOYSA-N 1 1 282.387 3.190 20 30 CGEDMO C=C(C)COc1ccccc1C[NH+]1CC(C(F)F)C1 ZINC001138666395 803998516 /nfs/dbraw/zinc/99/85/16/803998516.db2.gz QRWJCOIDUKNPBC-UHFFFAOYSA-N 1 1 267.319 3.338 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cnc3[nH]ccc3c2Cl)C1 ZINC001138936343 804076800 /nfs/dbraw/zinc/07/68/00/804076800.db2.gz ORKOPVGGSCEKPX-NSHDSACASA-N 1 1 288.782 3.294 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2cnc3[nH]ccc3c2Cl)C1 ZINC001138936343 804076807 /nfs/dbraw/zinc/07/68/07/804076807.db2.gz ORKOPVGGSCEKPX-NSHDSACASA-N 1 1 288.782 3.294 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[NH2+][C@H]1CCCNC1 ZINC001245978242 804094234 /nfs/dbraw/zinc/09/42/34/804094234.db2.gz ACPCKWBWARITIP-IRXDYDNUSA-N 1 1 284.488 3.220 20 30 CGEDMO CCCCCCCC[C@H](O)C[NH2+]C[C@H]1CC[C@H](C)CN1 ZINC001245995089 804095572 /nfs/dbraw/zinc/09/55/72/804095572.db2.gz SPACQGHZQYKDNO-BBWFWOEESA-N 1 1 284.488 3.076 20 30 CGEDMO CCCCCCCC[C@H](O)C[NH2+]C[C@H](N)CC(C)C ZINC001246000570 804098107 /nfs/dbraw/zinc/09/81/07/804098107.db2.gz LDGKYGZLEYRBRO-CVEARBPZSA-N 1 1 272.477 3.061 20 30 CGEDMO CCCCCCCC[C@H](O)CNC[C@H]([NH3+])CC(C)C ZINC001246000570 804098115 /nfs/dbraw/zinc/09/81/15/804098115.db2.gz LDGKYGZLEYRBRO-CVEARBPZSA-N 1 1 272.477 3.061 20 30 CGEDMO C#CC[N@@H+](C)Cc1cc(Br)ccc1OC(C)C ZINC001138989130 804100370 /nfs/dbraw/zinc/10/03/70/804100370.db2.gz VABOWLMDRPEBQQ-UHFFFAOYSA-N 1 1 296.208 3.301 20 30 CGEDMO C#CC[N@H+](C)Cc1cc(Br)ccc1OC(C)C ZINC001138989130 804100374 /nfs/dbraw/zinc/10/03/74/804100374.db2.gz VABOWLMDRPEBQQ-UHFFFAOYSA-N 1 1 296.208 3.301 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1CCN[C@@H](CC(C)C)C1 ZINC001246054575 804104728 /nfs/dbraw/zinc/10/47/28/804104728.db2.gz JWZKPGKHGPSDCZ-ZWKOTPCHSA-N 1 1 296.499 3.194 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCN[C@@H](CC(C)C)C1 ZINC001246054575 804104734 /nfs/dbraw/zinc/10/47/34/804104734.db2.gz JWZKPGKHGPSDCZ-ZWKOTPCHSA-N 1 1 296.499 3.194 20 30 CGEDMO C#CC(CC)(CC)N[C@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246073120 804110107 /nfs/dbraw/zinc/11/01/07/804110107.db2.gz VBBOJNLORQAQKW-FICVDOATSA-N 1 1 250.430 3.077 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@@H](OC)C[C@H]1C ZINC001139031405 804113944 /nfs/dbraw/zinc/11/39/44/804113944.db2.gz XGGLCPNESIKXBX-GDBMZVCRSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)Cc1ccc(OC)c(OC)n1 ZINC001139105314 804127714 /nfs/dbraw/zinc/12/77/14/804127714.db2.gz PAYWWZWCGDNRAS-UHFFFAOYSA-N 1 1 298.386 3.287 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(OC)c(OC)n1 ZINC001139105314 804127720 /nfs/dbraw/zinc/12/77/20/804127720.db2.gz PAYWWZWCGDNRAS-UHFFFAOYSA-N 1 1 298.386 3.287 20 30 CGEDMO CCn1ccc2c1cccc2C[N@@H+]1CCC[C@H](C#N)C1 ZINC001139159358 804145173 /nfs/dbraw/zinc/14/51/73/804145173.db2.gz WRVLISYKOLIROY-CQSZACIVSA-N 1 1 267.376 3.397 20 30 CGEDMO CCn1ccc2c1cccc2C[N@H+]1CCC[C@H](C#N)C1 ZINC001139159358 804145178 /nfs/dbraw/zinc/14/51/78/804145178.db2.gz WRVLISYKOLIROY-CQSZACIVSA-N 1 1 267.376 3.397 20 30 CGEDMO CCCCCCC[C@@H](CCC)[NH2+][C@H]1CNC[C@H]1F ZINC001246127774 804154246 /nfs/dbraw/zinc/15/42/46/804154246.db2.gz QFENIAINEXBDQW-KFWWJZLASA-N 1 1 258.425 3.415 20 30 CGEDMO CCCCCCCCC[C@@H](C)[NH2+][C@@H]1CNC[C@H]1F ZINC001246131108 804157881 /nfs/dbraw/zinc/15/78/81/804157881.db2.gz VMWNDOHGSHHZBN-RBSFLKMASA-N 1 1 258.425 3.415 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](F)CC2)cc1F ZINC001139525722 804201598 /nfs/dbraw/zinc/20/15/98/804201598.db2.gz JBFHSNBLMMKYIJ-CYBMUJFWSA-N 1 1 250.292 3.021 20 30 CGEDMO C[C@]1(F)CCCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001139526609 804201749 /nfs/dbraw/zinc/20/17/49/804201749.db2.gz APEUWJPRTPDPHF-HNNXBMFYSA-N 1 1 264.319 3.411 20 30 CGEDMO C[C@]1(F)CCCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001139526609 804201754 /nfs/dbraw/zinc/20/17/54/804201754.db2.gz APEUWJPRTPDPHF-HNNXBMFYSA-N 1 1 264.319 3.411 20 30 CGEDMO CCOc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)cc1CC ZINC001139626412 804237990 /nfs/dbraw/zinc/23/79/90/804237990.db2.gz TYIURKFUPUUQJN-QGZVFWFLSA-N 1 1 272.392 3.383 20 30 CGEDMO CCOc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)cc1CC ZINC001139626412 804237991 /nfs/dbraw/zinc/23/79/91/804237991.db2.gz TYIURKFUPUUQJN-QGZVFWFLSA-N 1 1 272.392 3.383 20 30 CGEDMO C#Cc1cccc(CN[C@@H]2C[C@@H](CC)[NH2+][C@@H](CC)C2)c1 ZINC001246261027 804242850 /nfs/dbraw/zinc/24/28/50/804242850.db2.gz CPVVSCBRSQVLFP-BCDXTJNWSA-N 1 1 270.420 3.067 20 30 CGEDMO C=C1C[C@@H]2CC([NH2+]CC3(N)CCCCC3)C[C@H](C1)C2 ZINC001246280777 804256707 /nfs/dbraw/zinc/25/67/07/804256707.db2.gz WLDKRLYLBYJILX-XYPWUTKMSA-N 1 1 262.441 3.373 20 30 CGEDMO C[C@]1(F)CC[N@H+](Cc2c[nH]c3c2cccc3C#N)C[C@@H]1F ZINC001139701201 804257531 /nfs/dbraw/zinc/25/75/31/804257531.db2.gz CNNZOFWEYRXUQE-HOCLYGCPSA-N 1 1 289.329 3.312 20 30 CGEDMO C[C@]1(F)CC[N@@H+](Cc2c[nH]c3c2cccc3C#N)C[C@@H]1F ZINC001139701201 804257538 /nfs/dbraw/zinc/25/75/38/804257538.db2.gz CNNZOFWEYRXUQE-HOCLYGCPSA-N 1 1 289.329 3.312 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1Cc1c[nH]c2c1cccc2C#N ZINC001139701722 804258421 /nfs/dbraw/zinc/25/84/21/804258421.db2.gz OKQLOWQANUVKBZ-GFCCVEGCSA-N 1 1 253.349 3.414 20 30 CGEDMO CC[C@@H]1CC[N@@H+](Cc2c[nH]c3c2cccc3C#N)C1 ZINC001139707832 804260294 /nfs/dbraw/zinc/26/02/94/804260294.db2.gz VMBMRYJFOSOQIK-GFCCVEGCSA-N 1 1 253.349 3.271 20 30 CGEDMO N#Cc1cccc2c(C[N@H+]3CC[C@]4(C3)CCCOC4)c[nH]c21 ZINC001139706299 804260322 /nfs/dbraw/zinc/26/03/22/804260322.db2.gz QBAGXSURUAHBSG-SFHVURJKSA-N 1 1 295.386 3.042 20 30 CGEDMO CCO[C@@H]1CCC[N@@H+](Cc2c[nH]c3c2cccc3C#N)C1 ZINC001139703381 804260542 /nfs/dbraw/zinc/26/05/42/804260542.db2.gz PJYQYVRXCQRJJH-OAHLLOKOSA-N 1 1 283.375 3.040 20 30 CGEDMO Cc1cc(O)cc(C)c1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001139714635 804262861 /nfs/dbraw/zinc/26/28/61/804262861.db2.gz HKKRPMVXMNUKNH-QKDCVEJESA-N 1 1 270.376 3.276 20 30 CGEDMO C=CCn1cc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)cn1 ZINC001139770547 804277095 /nfs/dbraw/zinc/27/70/95/804277095.db2.gz RHDIAGHKJFVPDU-GOSISDBHSA-N 1 1 281.403 3.449 20 30 CGEDMO C=CCn1cc(C[N@@H+](C)Cc2cccc(Cl)c2)cn1 ZINC001139770768 804277189 /nfs/dbraw/zinc/27/71/89/804277189.db2.gz ZYUPCIQNOMVGMC-UHFFFAOYSA-N 1 1 275.783 3.355 20 30 CGEDMO C=CCn1cc(C[N@H+](C)Cc2cccc(Cl)c2)cn1 ZINC001139770768 804277192 /nfs/dbraw/zinc/27/71/92/804277192.db2.gz ZYUPCIQNOMVGMC-UHFFFAOYSA-N 1 1 275.783 3.355 20 30 CGEDMO C=CCn1cc(C[N@H+](C)CCCc2cccc(OC)c2)cn1 ZINC001139770987 804277203 /nfs/dbraw/zinc/27/72/03/804277203.db2.gz JUDJSBILHUZSRL-UHFFFAOYSA-N 1 1 299.418 3.142 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cccc(F)c2Cl)no1 ZINC001212325311 815005248 /nfs/dbraw/zinc/00/52/48/815005248.db2.gz NKDIZDPUNYKISO-NSHDSACASA-N 1 1 293.729 3.332 20 30 CGEDMO COCc1ccc(C[N@@H+]2CCc3ccc(C#N)cc3C2)s1 ZINC001139826054 804291106 /nfs/dbraw/zinc/29/11/06/804291106.db2.gz RFGPVCNPFDEEKG-UHFFFAOYSA-N 1 1 298.411 3.324 20 30 CGEDMO COCc1ccc(C[N@H+]2CCc3ccc(C#N)cc3C2)s1 ZINC001139826054 804291111 /nfs/dbraw/zinc/29/11/11/804291111.db2.gz RFGPVCNPFDEEKG-UHFFFAOYSA-N 1 1 298.411 3.324 20 30 CGEDMO Cc1nc(-c2ccccc2)sc1C[NH+]1CC(CC#N)C1 ZINC001139821673 804292190 /nfs/dbraw/zinc/29/21/90/804292190.db2.gz VEUDXFOSEBVMKU-UHFFFAOYSA-N 1 1 283.400 3.464 20 30 CGEDMO CC[C@@H](CC#N)N[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001246393617 804319960 /nfs/dbraw/zinc/31/99/60/804319960.db2.gz WOGNZQRYXHWGTI-DLBZAZTESA-N 1 1 289.398 3.148 20 30 CGEDMO C#CC1(N[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCCCC1 ZINC001246461560 804341594 /nfs/dbraw/zinc/34/15/94/804341594.db2.gz DEMRDEVVLIOEHM-QZTJIDSGSA-N 1 1 282.431 3.405 20 30 CGEDMO N#Cc1ccc2[nH]cc(C[N@H+]3CC[C@@H]4CCCO[C@H]4C3)c2c1 ZINC001140110784 804379087 /nfs/dbraw/zinc/37/90/87/804379087.db2.gz STYJUIKFMAOLDM-KSSFIOAISA-N 1 1 295.386 3.040 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](Cc2ccc(-c3ccncc3)cc2)C1 ZINC001140173820 804394411 /nfs/dbraw/zinc/39/44/11/804394411.db2.gz ICELQWLZZAACLI-SFHVURJKSA-N 1 1 277.371 3.484 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(-c3ccncc3)cc2)C1 ZINC001140173820 804394419 /nfs/dbraw/zinc/39/44/19/804394419.db2.gz ICELQWLZZAACLI-SFHVURJKSA-N 1 1 277.371 3.484 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cnc(-c2cccc(OC)c2)nc1 ZINC001140197337 804398701 /nfs/dbraw/zinc/39/87/01/804398701.db2.gz KKNCVHJFFGOTGM-UHFFFAOYSA-N 1 1 295.386 3.326 20 30 CGEDMO C#CC1CC[NH+](Cc2ccc(Br)c(F)c2)CC1 ZINC001140213923 804401665 /nfs/dbraw/zinc/40/16/65/804401665.db2.gz CUBSDSDMTUICMP-UHFFFAOYSA-N 1 1 296.183 3.433 20 30 CGEDMO C[N@@H+](Cc1c[nH]c2cccc(O)c12)Cc1cccc(C#N)c1 ZINC001140236467 804404981 /nfs/dbraw/zinc/40/49/81/804404981.db2.gz HYPWIVSVYVJEKS-UHFFFAOYSA-N 1 1 291.354 3.377 20 30 CGEDMO C#CC[N@@H+](C)Cc1cnc(-c2cccc(F)c2)s1 ZINC001140419848 804431992 /nfs/dbraw/zinc/43/19/92/804431992.db2.gz NMSJWLNISLQEPT-UHFFFAOYSA-N 1 1 260.337 3.014 20 30 CGEDMO C#CC[N@H+](C)Cc1cnc(-c2cccc(F)c2)s1 ZINC001140419848 804431998 /nfs/dbraw/zinc/43/19/98/804431998.db2.gz NMSJWLNISLQEPT-UHFFFAOYSA-N 1 1 260.337 3.014 20 30 CGEDMO CCCCCCC[C@H](CCC)[N@H+]1CCNC[C@H]1COC ZINC001246593470 804435852 /nfs/dbraw/zinc/43/58/52/804435852.db2.gz IATZIXKDUKRSCD-IRXDYDNUSA-N 1 1 284.488 3.436 20 30 CGEDMO CCCCCCC[C@H](CCC)N1CC[NH2+]C[C@H]1COC ZINC001246593470 804435858 /nfs/dbraw/zinc/43/58/58/804435858.db2.gz IATZIXKDUKRSCD-IRXDYDNUSA-N 1 1 284.488 3.436 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CC[C@@H](N)[C@@H](F)CC1 ZINC001246596077 804436906 /nfs/dbraw/zinc/43/69/06/804436906.db2.gz YTVBSSLKCZWWPZ-SOUVJXGZSA-N 1 1 258.425 3.497 20 30 CGEDMO Cc1ccc(Cl)nc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001140447822 804437784 /nfs/dbraw/zinc/43/77/84/804437784.db2.gz MTKMRJQMISGNHE-LBPRGKRZSA-N 1 1 263.772 3.169 20 30 CGEDMO Cc1ccc(Cl)nc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001140447822 804437787 /nfs/dbraw/zinc/43/77/87/804437787.db2.gz MTKMRJQMISGNHE-LBPRGKRZSA-N 1 1 263.772 3.169 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)cn1 ZINC001140543595 804457889 /nfs/dbraw/zinc/45/78/89/804457889.db2.gz CRNHPZVRDZEXDE-AWEZNQCLSA-N 1 1 281.334 3.082 20 30 CGEDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(C#N)nc1 ZINC001140546716 804458646 /nfs/dbraw/zinc/45/86/46/804458646.db2.gz QZSGHTAFXOCNIF-UHFFFAOYSA-N 1 1 294.402 3.041 20 30 CGEDMO N#Cc1cc(F)c(Nc2ccc[nH+]c2N)c(Cl)c1 ZINC001212406104 815020452 /nfs/dbraw/zinc/02/04/52/815020452.db2.gz UQRUCNQOIGFCOC-UHFFFAOYSA-N 1 1 262.675 3.072 20 30 CGEDMO N#Cc1c(F)cc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)cc1F ZINC001140753681 804506126 /nfs/dbraw/zinc/50/61/26/804506126.db2.gz KOGWNJSWSFHJNS-ZDUSSCGKSA-N 1 1 284.256 3.068 20 30 CGEDMO N#Cc1c(F)cc(C[N@H+]2CC[C@]3(CC3(F)F)C2)cc1F ZINC001140753681 804506130 /nfs/dbraw/zinc/50/61/30/804506130.db2.gz KOGWNJSWSFHJNS-ZDUSSCGKSA-N 1 1 284.256 3.068 20 30 CGEDMO N#Cc1c(F)cc(C[NH+]2CCC(CF)CC2)cc1F ZINC001140754233 804506711 /nfs/dbraw/zinc/50/67/11/804506711.db2.gz RJJRMHLWNDMDLK-UHFFFAOYSA-N 1 1 268.282 3.018 20 30 CGEDMO CC[C@H]1CCC[N@@H+](Cc2cc(F)c(C#N)c(F)c2)C1 ZINC001140754928 804506872 /nfs/dbraw/zinc/50/68/72/804506872.db2.gz OWDBZEFMUNKNIZ-NSHDSACASA-N 1 1 264.319 3.458 20 30 CGEDMO CCCN(CCC#N)[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256917773 807012402 /nfs/dbraw/zinc/01/24/02/807012402.db2.gz LMRSGKLBNIGNOY-MRXNPFEDSA-N 1 1 263.429 3.019 20 30 CGEDMO CC(C)[C@@H]([NH2+]C1CCC(C#N)CC1)C(=O)OC(C)(C)C ZINC001256950462 807015001 /nfs/dbraw/zinc/01/50/01/807015001.db2.gz FQWHXOJBPXQTAS-JXQTWKCFSA-N 1 1 280.412 3.025 20 30 CGEDMO CN(C)c1ccc(C[NH+]2CCC(C#N)CC2)c(Cl)c1 ZINC001140921894 804548679 /nfs/dbraw/zinc/54/86/79/804548679.db2.gz VBHHLTRZVRIRFJ-UHFFFAOYSA-N 1 1 277.799 3.142 20 30 CGEDMO N#CC1CCC([N@@H+]2CCCC[C@@H]2CCN2CCCC2)CC1 ZINC001256968962 807018698 /nfs/dbraw/zinc/01/86/98/807018698.db2.gz UUYNWIBONRVLNF-LXPRWKDFSA-N 1 1 289.467 3.409 20 30 CGEDMO N#CC1CCC([N@H+]2CCCC[C@@H]2CCN2CCCC2)CC1 ZINC001256968962 807018706 /nfs/dbraw/zinc/01/87/06/807018706.db2.gz UUYNWIBONRVLNF-LXPRWKDFSA-N 1 1 289.467 3.409 20 30 CGEDMO CC[C@@H]1C[C@@H](N(C)Cc2cccc(C#N)c2)C[C@H](CC)[NH2+]1 ZINC001246907203 804591572 /nfs/dbraw/zinc/59/15/72/804591572.db2.gz IPIDIYFQQOOPMB-BCDXTJNWSA-N 1 1 285.435 3.299 20 30 CGEDMO CCCCCCC[C@H](CCC)[N@@H+]1C[C@H]2CN[C@H]2C1 ZINC001246920162 804601197 /nfs/dbraw/zinc/60/11/97/804601197.db2.gz OWCLGURYWPIYEC-PMPSAXMXSA-N 1 1 252.446 3.419 20 30 CGEDMO CCCCCCC[C@H](CCC)[N@H+]1C[C@H]2CN[C@H]2C1 ZINC001246920162 804601200 /nfs/dbraw/zinc/60/12/00/804601200.db2.gz OWCLGURYWPIYEC-PMPSAXMXSA-N 1 1 252.446 3.419 20 30 CGEDMO CCC[N@@H+](Cc1ccc(F)cc1C#N)C1CCOCC1 ZINC001141167153 804603735 /nfs/dbraw/zinc/60/37/35/804603735.db2.gz CDXRFGBUTUDZLM-UHFFFAOYSA-N 1 1 276.355 3.088 20 30 CGEDMO C[C@H]1CN(C2CCC(C#N)(c3ccccc3)CC2)C[C@H](C)[NH2+]1 ZINC001246944777 804612001 /nfs/dbraw/zinc/61/20/01/804612001.db2.gz SJVUJQSDIBYCFG-XYCLOBBJSA-N 1 1 297.446 3.073 20 30 CGEDMO CCCCCCCCNC(=S)NCC[C@H]1CCC[N@H+]1C ZINC001247171217 804673697 /nfs/dbraw/zinc/67/36/97/804673697.db2.gz MPTSZBUTAPPVGI-OAHLLOKOSA-N 1 1 299.528 3.295 20 30 CGEDMO C=C(CC)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001142046925 804691389 /nfs/dbraw/zinc/69/13/89/804691389.db2.gz QUGJBCBSDWNTOS-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(Cl)n1 ZINC001142139972 804697374 /nfs/dbraw/zinc/69/73/74/804697374.db2.gz CIZCHELMYXKLHG-DEZZGGKRSA-N 1 1 275.783 3.310 20 30 CGEDMO Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(Cl)n1 ZINC001142139972 804697377 /nfs/dbraw/zinc/69/73/77/804697377.db2.gz CIZCHELMYXKLHG-DEZZGGKRSA-N 1 1 275.783 3.310 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc2c(c1)OCCCO2 ZINC001142271524 804711554 /nfs/dbraw/zinc/71/15/54/804711554.db2.gz MPPXLJACHFEFJH-UHFFFAOYSA-N 1 1 261.365 3.246 20 30 CGEDMO CC[C@H]([NH3+])c1nc(-c2ccc(C#N)c3ccccc23)no1 ZINC001247491083 804750442 /nfs/dbraw/zinc/75/04/42/804750442.db2.gz KKLIMKMNGGJKGD-AWEZNQCLSA-N 1 1 278.315 3.171 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH3+])c1nc(-c2cc(C)ccc2Cl)no1 ZINC001247620860 804782077 /nfs/dbraw/zinc/78/20/77/804782077.db2.gz IQOLLVYLIWCPEO-YMTOWFKASA-N 1 1 275.739 3.058 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2ccc3ccn(C)c3c2)no1 ZINC001247622313 804783199 /nfs/dbraw/zinc/78/31/99/804783199.db2.gz JAQVJKFSJLMSTL-CYBMUJFWSA-N 1 1 282.347 3.194 20 30 CGEDMO N#Cc1ccc2c(C[N@@H+]3CC[C@@H](C(F)(F)F)C3)c[nH]c2c1 ZINC001142921925 804784892 /nfs/dbraw/zinc/78/48/92/804784892.db2.gz ZGYIYLQPLGHHHQ-GFCCVEGCSA-N 1 1 293.292 3.424 20 30 CGEDMO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]c2cc(C#N)ccc12 ZINC001142926290 804785084 /nfs/dbraw/zinc/78/50/84/804785084.db2.gz NXJKWUPIWHKRDZ-XYPWUTKMSA-N 1 1 295.386 3.181 20 30 CGEDMO N#CCC[N@H+](Cc1ccccc1)Cc1cccc2n[nH]cc21 ZINC001143087683 804799940 /nfs/dbraw/zinc/79/99/40/804799940.db2.gz TXNMOOCMSRXBRC-UHFFFAOYSA-N 1 1 290.370 3.479 20 30 CGEDMO N#CCC[N@@H+](Cc1ccccc1)Cc1cccc2n[nH]cc21 ZINC001143087683 804799943 /nfs/dbraw/zinc/79/99/43/804799943.db2.gz TXNMOOCMSRXBRC-UHFFFAOYSA-N 1 1 290.370 3.479 20 30 CGEDMO C[N@H+]1CCC[C@@H](CCNc2cccc(F)c2CC#N)C1 ZINC001165299797 806990613 /nfs/dbraw/zinc/99/06/13/806990613.db2.gz DCIYQRGDVITAFT-ZDUSSCGKSA-N 1 1 275.371 3.036 20 30 CGEDMO CC[C@@H]1CCC[N@@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143173338 804813661 /nfs/dbraw/zinc/81/36/61/804813661.db2.gz XUDCOCWAXFDIKH-LLVKDONJSA-N 1 1 250.292 3.211 20 30 CGEDMO CC[C@@H]1CCC[N@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143173338 804813676 /nfs/dbraw/zinc/81/36/76/804813676.db2.gz XUDCOCWAXFDIKH-LLVKDONJSA-N 1 1 250.292 3.211 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(Cl)c(OC(F)(F)F)c1 ZINC001143357506 804839018 /nfs/dbraw/zinc/83/90/18/804839018.db2.gz GNZQJAMZHLZNBA-UHFFFAOYSA-N 1 1 277.673 3.304 20 30 CGEDMO COc1ccc(F)c(C[NH+]2CCC(S)CC2)c1Cl ZINC001143371452 804840896 /nfs/dbraw/zinc/84/08/96/804840896.db2.gz UNNZMTNBBUZJJM-UHFFFAOYSA-N 1 1 289.803 3.382 20 30 CGEDMO N#Cc1cccc(Cl)c1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC001143718808 804888236 /nfs/dbraw/zinc/88/82/36/804888236.db2.gz PMDDYZKRHKYVLD-INIZCTEOSA-N 1 1 290.794 3.214 20 30 CGEDMO N#Cc1cccc(Cl)c1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC001143718808 804888242 /nfs/dbraw/zinc/88/82/42/804888242.db2.gz PMDDYZKRHKYVLD-INIZCTEOSA-N 1 1 290.794 3.214 20 30 CGEDMO N#Cc1cccc(Cl)c1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC001143731307 804888995 /nfs/dbraw/zinc/88/89/95/804888995.db2.gz RWZLUGYFDAZKBM-MRXNPFEDSA-N 1 1 290.794 3.214 20 30 CGEDMO N#Cc1cccc(Cl)c1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC001143731307 804889001 /nfs/dbraw/zinc/88/90/01/804889001.db2.gz RWZLUGYFDAZKBM-MRXNPFEDSA-N 1 1 290.794 3.214 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@@H](C)CCO)cc1 ZINC001165965953 807029607 /nfs/dbraw/zinc/02/96/07/807029607.db2.gz IBMAGFHSCNKVHR-WMLDXEAASA-N 1 1 274.408 3.192 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCC[C@H]2c2ccccc2F)c1 ZINC001144079345 804934027 /nfs/dbraw/zinc/93/40/27/804934027.db2.gz KDEBOZJUXFUJBD-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1cncc(C[N@@H+]2CCC[C@H]2c2ccccc2F)c1 ZINC001144079345 804934030 /nfs/dbraw/zinc/93/40/30/804934030.db2.gz KDEBOZJUXFUJBD-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@@H+]1CCC(=O)[C@@H]2CCCC[C@@H]21 ZINC001248748803 804982086 /nfs/dbraw/zinc/98/20/86/804982086.db2.gz WVDONZNUUHZLIE-MSOLQXFVSA-N 1 1 296.414 3.454 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCC(=O)[C@@H]2CCCC[C@@H]21 ZINC001248748803 804982090 /nfs/dbraw/zinc/98/20/90/804982090.db2.gz WVDONZNUUHZLIE-MSOLQXFVSA-N 1 1 296.414 3.454 20 30 CGEDMO CCCO[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2CC)C1 ZINC001248751060 804984573 /nfs/dbraw/zinc/98/45/73/804984573.db2.gz HSQNIJXHAYAFBD-QGZVFWFLSA-N 1 1 272.392 3.122 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@@H+]1CCc2cccnc2C1 ZINC001248752647 804984715 /nfs/dbraw/zinc/98/47/15/804984715.db2.gz UYGASHYIKPFPAO-UHFFFAOYSA-N 1 1 277.371 3.074 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCc2cccnc2C1 ZINC001248752647 804984722 /nfs/dbraw/zinc/98/47/22/804984722.db2.gz UYGASHYIKPFPAO-UHFFFAOYSA-N 1 1 277.371 3.074 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCN(C)[C@H](c3ccccc3)C2)cc1 ZINC001144574013 805007979 /nfs/dbraw/zinc/00/79/79/805007979.db2.gz YBSABNXXLHHJJG-FQEVSTJZSA-N 1 1 290.410 3.157 20 30 CGEDMO C#Cc1ccc(CN2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC001144574013 805007990 /nfs/dbraw/zinc/00/79/90/805007990.db2.gz YBSABNXXLHHJJG-FQEVSTJZSA-N 1 1 290.410 3.157 20 30 CGEDMO C#Cc1ccc(CN2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC001144574013 805007992 /nfs/dbraw/zinc/00/79/92/805007992.db2.gz YBSABNXXLHHJJG-FQEVSTJZSA-N 1 1 290.410 3.157 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(OCc2ccccc2)cn1 ZINC001248863622 805026061 /nfs/dbraw/zinc/02/60/61/805026061.db2.gz VFRAMVXJDVDCIL-UHFFFAOYSA-N 1 1 268.360 3.278 20 30 CGEDMO Cc1nc(C[N@@H+]2CCC[C@H](C#N)CC2)ccc1Cl ZINC001248877371 805029600 /nfs/dbraw/zinc/02/96/00/805029600.db2.gz GSNUDHBLEVSCRM-LBPRGKRZSA-N 1 1 263.772 3.169 20 30 CGEDMO Cc1nc(C[N@H+]2CCC[C@H](C#N)CC2)ccc1Cl ZINC001248877371 805029611 /nfs/dbraw/zinc/02/96/11/805029611.db2.gz GSNUDHBLEVSCRM-LBPRGKRZSA-N 1 1 263.772 3.169 20 30 CGEDMO CC[N@H+]1CCCC[C@H]1c1nc(-c2cccc(C#N)c2)no1 ZINC001248964258 805061399 /nfs/dbraw/zinc/06/13/99/805061399.db2.gz UYVKMGHFJYAIAY-AWEZNQCLSA-N 1 1 282.347 3.155 20 30 CGEDMO C[N@H+](Cc1cnn2ccc(C#N)cc12)CC1CCCCC1 ZINC001249114069 805093428 /nfs/dbraw/zinc/09/34/28/805093428.db2.gz SLPVESFAWHJHEX-UHFFFAOYSA-N 1 1 282.391 3.218 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@H](C)CC)C2)C1 ZINC001147006160 805102991 /nfs/dbraw/zinc/10/29/91/805102991.db2.gz VFKGIMPRXAPEKK-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)CC3CCC3)C2)C1 ZINC001147281201 805119291 /nfs/dbraw/zinc/11/92/91/805119291.db2.gz IARDVPXOPISJAN-OAHLLOKOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C)CCCC)C2)C1 ZINC001147469447 805131184 /nfs/dbraw/zinc/13/11/84/805131184.db2.gz ZDWOFMHTIVEIIY-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO N#Cc1ccc2cc(C[N@H+]3C[C@@H]4CCC[C@@H]4C3)[nH]c2c1 ZINC001249426107 805145102 /nfs/dbraw/zinc/14/51/02/805145102.db2.gz FETHXZWMTXLFFP-GASCZTMLSA-N 1 1 265.360 3.271 20 30 CGEDMO C[N@H+](Cc1cc2ccc(C#N)cc2[nH]1)CC1CCC1 ZINC001249429173 805147036 /nfs/dbraw/zinc/14/70/36/805147036.db2.gz QJYDLHJGGHQEOW-UHFFFAOYSA-N 1 1 253.349 3.271 20 30 CGEDMO C[C@@H]1CC[N@H+](Cc2cc3ccc(C#N)cc3[nH]2)C[C@H]1F ZINC001249426961 805147424 /nfs/dbraw/zinc/14/74/24/805147424.db2.gz MCWVXELWXGDKMY-IAQYHMDHSA-N 1 1 271.339 3.219 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cc3ccc(C#N)cc3[nH]2)C[C@H]1F ZINC001249426961 805147429 /nfs/dbraw/zinc/14/74/29/805147429.db2.gz MCWVXELWXGDKMY-IAQYHMDHSA-N 1 1 271.339 3.219 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)CC3(C)CC3)C2)C1 ZINC001147911482 805156816 /nfs/dbraw/zinc/15/68/16/805156816.db2.gz ZWEMQUSHNXOTQS-OAHLLOKOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCCC(=O)N1CC2(C1)CC[N@H+]([C@@H](C)CCC=C)C2 ZINC001148199719 805167470 /nfs/dbraw/zinc/16/74/70/805167470.db2.gz QRZWEXGBPWNPMY-INIZCTEOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H](CC)CCC)C2)C1 ZINC001148497369 805189129 /nfs/dbraw/zinc/18/91/29/805189129.db2.gz XCNCWYXFNYAPFK-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO CCCCCCCNC(=S)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001249637739 805197278 /nfs/dbraw/zinc/19/72/78/805197278.db2.gz SRTFEHHRFZJXPF-HNNXBMFYSA-N 1 1 297.512 3.001 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)Cc1cccs1 ZINC001151572436 805298605 /nfs/dbraw/zinc/29/86/05/805298605.db2.gz PJVANHRDBYOTTI-CQSZACIVSA-N 1 1 294.464 3.083 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)CCCC ZINC001152019200 805331948 /nfs/dbraw/zinc/33/19/48/805331948.db2.gz MOGPQAYLQHCGRW-CVEARBPZSA-N 1 1 280.456 3.053 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)/C=C\C(C)(C)C ZINC001152426152 805349803 /nfs/dbraw/zinc/34/98/03/805349803.db2.gz LQWHUSXNJHLOQA-LJTDUEICSA-N 1 1 286.847 3.168 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)/C=C\C(C)(C)C ZINC001152426152 805349812 /nfs/dbraw/zinc/34/98/12/805349812.db2.gz LQWHUSXNJHLOQA-LJTDUEICSA-N 1 1 286.847 3.168 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)c1cc(C)c(C)o1 ZINC001152768912 805369341 /nfs/dbraw/zinc/36/93/41/805369341.db2.gz HJEUQGKCPAKOFF-CQSZACIVSA-N 1 1 292.423 3.303 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)c1ccoc1CC ZINC001153084798 805382730 /nfs/dbraw/zinc/38/27/30/805382730.db2.gz QASADBYLEBBQCS-CQSZACIVSA-N 1 1 292.423 3.248 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1cc(C)cs1 ZINC001153203180 805386828 /nfs/dbraw/zinc/38/68/28/805386828.db2.gz VSFVNUXGZVJLMB-CYBMUJFWSA-N 1 1 280.437 3.073 20 30 CGEDMO C=CCC(CC=C)C(=O)NC[C@@H](C)[N@@H+](CC)CC(=C)C ZINC001153561657 805403098 /nfs/dbraw/zinc/40/30/98/805403098.db2.gz QREYAKRIRFCBMT-OAHLLOKOSA-N 1 1 278.440 3.158 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)C1(C)CCCCCC1 ZINC001153854568 805419199 /nfs/dbraw/zinc/41/91/99/805419199.db2.gz JAXKASPFZNALPC-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)C(CC)CC ZINC001154088229 805432330 /nfs/dbraw/zinc/43/23/30/805432330.db2.gz UONWCTJVVRRKRG-ZIAGYGMSSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)C(CC)CC ZINC001154088258 805432564 /nfs/dbraw/zinc/43/25/64/805432564.db2.gz WBGHBZWWSYLCEN-HUUCEWRRSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1c[nH]c2ccccc21 ZINC001154201306 805438952 /nfs/dbraw/zinc/43/89/52/805438952.db2.gz CFPQEMSEHDTWQD-CQSZACIVSA-N 1 1 299.418 3.184 20 30 CGEDMO C=CC(C)(C)CCCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001154223415 805440217 /nfs/dbraw/zinc/44/02/17/805440217.db2.gz IEXBIGGJCWTKGM-HNNXBMFYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)C[C@@H](C)CC ZINC001154605750 805467150 /nfs/dbraw/zinc/46/71/50/805467150.db2.gz PMRJRQBRZSCPQS-UONOGXRCSA-N 1 1 268.445 3.071 20 30 CGEDMO CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1C ZINC001154614992 805467219 /nfs/dbraw/zinc/46/72/19/805467219.db2.gz MGEBIEPKEVQQMH-BZUAXINKSA-N 1 1 282.472 3.439 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@@]1(C)C=CCC1 ZINC001154700460 805478837 /nfs/dbraw/zinc/47/88/37/805478837.db2.gz XGMVTOPPCARGLN-WBVHZDCISA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)C/C=C\Cl ZINC001154750892 805483530 /nfs/dbraw/zinc/48/35/30/805483530.db2.gz FGAGINSDLQMYKF-JUBSNLHESA-N 1 1 286.847 3.168 20 30 CGEDMO C=CC[N@H+](C)Cc1cc(Br)cc(C)c1OC ZINC001250223114 805500146 /nfs/dbraw/zinc/50/01/46/805500146.db2.gz OKIYBONZZYRLDL-UHFFFAOYSA-N 1 1 284.197 3.384 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H](C)[N@H+](CC)CC(=C)Cl ZINC001155067305 805532881 /nfs/dbraw/zinc/53/28/81/805532881.db2.gz VXMXPAXCSIOICH-HIFRSBDPSA-N 1 1 286.847 3.168 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H](C)[N@@H+](CC)CC(=C)Cl ZINC001155067305 805532885 /nfs/dbraw/zinc/53/28/85/805532885.db2.gz VXMXPAXCSIOICH-HIFRSBDPSA-N 1 1 286.847 3.168 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)C1(C(C)C)CC1 ZINC001155141955 805544230 /nfs/dbraw/zinc/54/42/30/805544230.db2.gz OAFCTBSSJVHFQH-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)C(C)(F)F ZINC001155306739 805571038 /nfs/dbraw/zinc/57/10/38/805571038.db2.gz JTCCLUXIRJVYTB-OLZOCXBDSA-N 1 1 290.398 3.071 20 30 CGEDMO CN(CC[N@@H+](C)C1CCC(C#N)CC1)Cc1ccccc1 ZINC001256971862 807020385 /nfs/dbraw/zinc/02/03/85/807020385.db2.gz NAPZOATXKGHIEV-UHFFFAOYSA-N 1 1 285.435 3.133 20 30 CGEDMO C[N@@H+](CCC#N)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257016109 807028481 /nfs/dbraw/zinc/02/84/81/807028481.db2.gz VDAGQHUQHCGGPR-UHFFFAOYSA-N 1 1 267.376 3.430 20 30 CGEDMO C[C@@H]1COCC[N@H+]1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257016337 807028572 /nfs/dbraw/zinc/02/85/72/807028572.db2.gz AFCOJEPVMINHLF-RWBZWWBESA-N 1 1 284.403 3.305 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@H+]([C@H](CC)CCC)C2)C1=O ZINC001257258622 807073758 /nfs/dbraw/zinc/07/37/58/807073758.db2.gz FAKNWXKZAVJDIR-WBVHZDCISA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@@H](CC)CCC)C2 ZINC001257260054 807074858 /nfs/dbraw/zinc/07/48/58/807074858.db2.gz AOGHBACQGHTASR-ULQDDVLXSA-N 1 1 281.440 3.391 20 30 CGEDMO Cc1[nH+]c(N2CCO[C@@H](c3ccccc3)C2)ccc1CC#N ZINC001166680798 807081098 /nfs/dbraw/zinc/08/10/98/807081098.db2.gz GDWCUOBXDXLCPR-QGZVFWFLSA-N 1 1 293.370 3.034 20 30 CGEDMO C[N@H+]1CC[C@H](Nc2cc(CC#N)cc3ccccc32)C1 ZINC001167281137 807174586 /nfs/dbraw/zinc/17/45/86/807174586.db2.gz MZSOEDILDSZHEN-HNNXBMFYSA-N 1 1 265.360 3.022 20 30 CGEDMO C=CC[N@@H+](C[C@H]1C[C@@]12CCOC2)CC1CCCCC1 ZINC001167392390 807190524 /nfs/dbraw/zinc/19/05/24/807190524.db2.gz TXEVPWSEYODKNJ-IAGOWNOFSA-N 1 1 263.425 3.481 20 30 CGEDMO C=C[C@@H](C(=O)NC(C)(C)C[N@H+](C)CCC)c1ccccc1 ZINC001167706811 807229933 /nfs/dbraw/zinc/22/99/33/807229933.db2.gz PDRWFWMKOKNJEW-MRXNPFEDSA-N 1 1 288.435 3.193 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+](C)[C@H]3CC[C@H](O)CC3)C[C@H](C1)C2 ZINC001257891159 807240950 /nfs/dbraw/zinc/24/09/50/807240950.db2.gz FBWGSQZAADWTHK-GWQQKWFBSA-N 1 1 263.425 3.357 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CC(F)(F)C[C@@]3(C)CO)C[C@H](C1)C2 ZINC001257891912 807242327 /nfs/dbraw/zinc/24/23/27/807242327.db2.gz QRJSCAVSNBDBRE-IXXDHKBRSA-N 1 1 285.378 3.213 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCC[C@@H](CC(=O)OC)C3)C[C@H](C1)C2 ZINC001257894917 807244834 /nfs/dbraw/zinc/24/48/34/807244834.db2.gz CHRRIVXUBJSHFR-PMRDEQMMSA-N 1 1 291.435 3.396 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCC[C@H](C(=O)OC)[C@H]3C)C[C@H](C1)C2 ZINC001257895008 807245381 /nfs/dbraw/zinc/24/53/81/807245381.db2.gz HIONUBWRYFCRKG-BJCAYOAGSA-N 1 1 291.435 3.395 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCC[C@@]4(CCC(=O)O4)C3)C[C@H](C1)C2 ZINC001257895708 807245677 /nfs/dbraw/zinc/24/56/77/807245677.db2.gz YYNUZNDMMKVCAG-IXEWLPCDSA-N 1 1 289.419 3.293 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1C[C@@H]2COC[C@]2(COC)C1 ZINC001258047157 807275996 /nfs/dbraw/zinc/27/59/96/807275996.db2.gz HYENEXGHLCPVJD-GVDBMIGSSA-N 1 1 283.456 3.330 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1CCC(=O)N2CCC[C@H]2C1 ZINC001258053305 807279370 /nfs/dbraw/zinc/27/93/70/807279370.db2.gz YUGOMOMJHVRRAT-CVEARBPZSA-N 1 1 280.456 3.432 20 30 CGEDMO CSCC[C@H](C)[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001258215706 807368647 /nfs/dbraw/zinc/36/86/47/807368647.db2.gz RLPXKVJBVZHEJR-LBPRGKRZSA-N 1 1 260.406 3.058 20 30 CGEDMO C=C[C@@H]1C[C@@]1([NH2+][C@@H]1CCCC(C)(C)C1)C(=O)OCC ZINC001258278166 807391075 /nfs/dbraw/zinc/39/10/75/807391075.db2.gz RHBLPPQGSNSNAE-IOASZLSFSA-N 1 1 265.397 3.053 20 30 CGEDMO COC[C@H](C[N@@H+](Cc1ccc(C#N)cc1)C1CC1)C(C)C ZINC001168414826 807409448 /nfs/dbraw/zinc/40/94/48/807409448.db2.gz UMAWVNQMWZKBIG-KRWDZBQOSA-N 1 1 286.419 3.441 20 30 CGEDMO C[C@H](Cc1cccc(F)c1)[N@H+]1CCC[C@@H](C#N)CC1 ZINC001168497100 807436471 /nfs/dbraw/zinc/43/64/71/807436471.db2.gz MOBSBJJNWBNRNQ-ZIAGYGMSSA-N 1 1 260.356 3.382 20 30 CGEDMO N#C[C@H]1CCC[N@H+](C2CCN(c3cccc(F)c3)CC2)C1 ZINC001258424510 807445745 /nfs/dbraw/zinc/44/57/45/807445745.db2.gz FPXZZNQHPXCJDN-CQSZACIVSA-N 1 1 287.382 3.030 20 30 CGEDMO C=CC[N@H+](C)C1CCN(c2ccccc2Cl)CC1 ZINC001258545010 807491254 /nfs/dbraw/zinc/49/12/54/807491254.db2.gz STVCRGGJMAQWPN-UHFFFAOYSA-N 1 1 264.800 3.427 20 30 CGEDMO C=CCC[C@@H](C)[NH2+][C@H](CC1CCC1)C(=O)OCC ZINC001258723329 807571594 /nfs/dbraw/zinc/57/15/94/807571594.db2.gz YVHFTQCBTCXTHB-TZMCWYRMSA-N 1 1 253.386 3.053 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC001258725569 807573677 /nfs/dbraw/zinc/57/36/77/807573677.db2.gz ADMITRLAYBTQEM-ILXRZTDVSA-N 1 1 294.439 3.282 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@H]2CCC[C@@]2(COCC)C1 ZINC001258727399 807574573 /nfs/dbraw/zinc/57/45/73/807574573.db2.gz GUCVSUFJGHQUTR-OAGGEKHMSA-N 1 1 251.414 3.480 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@]2(CCCN2C(=O)C(C)C)C1 ZINC001258730117 807576300 /nfs/dbraw/zinc/57/63/00/807576300.db2.gz BDANBORVPXDVOW-NVXWUHKLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCO[C@H](COc2ccccc2)C1 ZINC001258732708 807579517 /nfs/dbraw/zinc/57/95/17/807579517.db2.gz PGJMTZNLMMPUMA-WBVHZDCISA-N 1 1 275.392 3.121 20 30 CGEDMO C=CCC[C@H](C)[NH+]1CCC(N2CCC(F)CC2)CC1 ZINC001258735176 807580624 /nfs/dbraw/zinc/58/06/24/807580624.db2.gz QMHMUUNASYZEIB-AWEZNQCLSA-N 1 1 268.420 3.239 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCc2cnc(C3CC3)nc2C1 ZINC001258735957 807582616 /nfs/dbraw/zinc/58/26/16/807582616.db2.gz GRMAKPKICLGQBN-LBPRGKRZSA-N 1 1 257.381 3.067 20 30 CGEDMO C[C@H]1CCC[C@H]([N@H+]2CCCN(c3ccc(C#N)cn3)CC2)C1 ZINC001258827744 807642783 /nfs/dbraw/zinc/64/27/83/807642783.db2.gz UTMIJPJTZILUEP-RDJZCZTQSA-N 1 1 298.434 3.044 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)CCC(C)(C)C1CC1 ZINC001169843495 807715091 /nfs/dbraw/zinc/71/50/91/807715091.db2.gz FJMXIUQMWAAKMJ-UHFFFAOYSA-N 1 1 252.446 3.252 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC001169970251 807731944 /nfs/dbraw/zinc/73/19/44/807731944.db2.gz HGDNDVYHSPVQOS-OLZOCXBDSA-N 1 1 264.344 3.029 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+]([C@H]2CCc3c2cccc3F)C1 ZINC001261641092 807772247 /nfs/dbraw/zinc/77/22/47/807772247.db2.gz WFGSDELYFOKQMS-LRDDRELGSA-N 1 1 258.340 3.439 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@H]1C[C@]1(C)Br ZINC001262355455 807852228 /nfs/dbraw/zinc/85/22/28/807852228.db2.gz VHRPSFVZCLJHJR-KGLIPLIRSA-N 1 1 293.208 3.164 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001262574983 807872335 /nfs/dbraw/zinc/87/23/35/807872335.db2.gz FKZXLGDHYDHZLR-HNNXBMFYSA-N 1 1 294.826 3.415 20 30 CGEDMO N#C[C@@H]1CCC[N@H+]([C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171134966 807995831 /nfs/dbraw/zinc/99/58/31/807995831.db2.gz IVFSKOQMCAODGR-LRDDRELGSA-N 1 1 274.795 3.433 20 30 CGEDMO C#CC[N@H+](C)[C@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171160463 807998612 /nfs/dbraw/zinc/99/86/12/807998612.db2.gz BBMWHRVRPUGNQP-LBPRGKRZSA-N 1 1 268.187 3.416 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001171203691 808009569 /nfs/dbraw/zinc/00/95/69/808009569.db2.gz OYBJUSWRLUNIMK-XYPHTWIQSA-N 1 1 254.377 3.221 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@]23C[C@H]2CCCC3)[C@H]1C ZINC001264160235 808041817 /nfs/dbraw/zinc/04/18/17/808041817.db2.gz JBZZAKLLCRULEP-XLMAVXFVSA-N 1 1 290.451 3.112 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@H]2CCc3c(F)cccc3C2)C1 ZINC001171436516 808057723 /nfs/dbraw/zinc/05/77/23/808057723.db2.gz FWMYSYWNMNOQRZ-HIFRSBDPSA-N 1 1 257.352 3.028 20 30 CGEDMO C=CCC1(C(=O)N(C)C[C@@H]2CC[N@H+]2CCC(=C)C)CCC1 ZINC001264371731 808063426 /nfs/dbraw/zinc/06/34/26/808063426.db2.gz ZQPLRTARQOUUGN-INIZCTEOSA-N 1 1 290.451 3.232 20 30 CGEDMO N#CC[C@H]1CCC[N@H+]([C@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171493039 808075594 /nfs/dbraw/zinc/07/55/94/808075594.db2.gz LIJRLEAFIJJBOC-DOMZBBRYSA-N 1 1 290.357 3.448 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CC(C)C)C(C)(C)[C@@H]21 ZINC001264584474 808078369 /nfs/dbraw/zinc/07/83/69/808078369.db2.gz WKEDRHGSCONKNP-DJIMGWMZSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C/C=C(\C)C=C)CC(C)(C)C1 ZINC001264754001 808093115 /nfs/dbraw/zinc/09/31/15/808093115.db2.gz UFIKTRJMJIYZLZ-AHQMPEJBSA-N 1 1 290.451 3.302 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@H+](CC)CC(C)(C)C1 ZINC001264754063 808093429 /nfs/dbraw/zinc/09/34/29/808093429.db2.gz VEOPHJNMQDWGIF-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C1CC(C)(C(=O)NCCC[N@H+](C)CC/C=C/CC)C1 ZINC001265033513 808104178 /nfs/dbraw/zinc/10/41/78/808104178.db2.gz HBUQNDPRLSROMM-VOTSOKGWSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)C[C@@H]1CC[C@H](C)C1 ZINC001265127665 808110874 /nfs/dbraw/zinc/11/08/74/808110874.db2.gz GVVNROBWJJAUSX-JKSUJKDBSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001265113719 808111102 /nfs/dbraw/zinc/11/11/02/808111102.db2.gz XQWRGYHOURWCLG-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001265297622 808126519 /nfs/dbraw/zinc/12/65/19/808126519.db2.gz UPVWMRXLDIBVAJ-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)CCC)CC1 ZINC001265335898 808133059 /nfs/dbraw/zinc/13/30/59/808133059.db2.gz KLEDEMXYQQJAGZ-UHFFFAOYSA-N 1 1 286.847 3.242 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC001265384945 808137526 /nfs/dbraw/zinc/13/75/26/808137526.db2.gz SHRGMGIPOBLLEM-SJORKVTESA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@@H]2CC=CCC2)C1 ZINC001265392840 808138842 /nfs/dbraw/zinc/13/88/42/808138842.db2.gz MTYFDPAHCMVKRF-SJORKVTESA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)C=C)C1 ZINC001265393252 808138947 /nfs/dbraw/zinc/13/89/47/808138947.db2.gz VFQLCBVPMRWLCX-MRXNPFEDSA-N 1 1 292.467 3.335 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)CCC2(C)CC2)C1 ZINC001265397329 808139590 /nfs/dbraw/zinc/13/95/90/808139590.db2.gz WTHPVERHWTXZEC-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)cc2C)C1 ZINC001171840043 808147990 /nfs/dbraw/zinc/14/79/90/808147990.db2.gz ABKRSLVZZWCHAF-WMLDXEAASA-N 1 1 277.383 3.456 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171858075 808149546 /nfs/dbraw/zinc/14/95/46/808149546.db2.gz NGOQCXWPIDPNFS-AWEZNQCLSA-N 1 1 294.439 3.426 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)/C=C(\C)CC)C1 ZINC001265523617 808151094 /nfs/dbraw/zinc/15/10/94/808151094.db2.gz NIPHSSUDRSGZLB-HPKIFAADSA-N 1 1 290.451 3.232 20 30 CGEDMO CCOC(=O)C1(C)CCC([N@H+]2CCC[C@@H](C#N)CC2)CC1 ZINC001171956092 808158892 /nfs/dbraw/zinc/15/88/92/808158892.db2.gz LMQTVCAPFRPPQX-HPUBIQBYSA-N 1 1 292.423 3.124 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001172304860 808221688 /nfs/dbraw/zinc/22/16/88/808221688.db2.gz AQBFAEQOGBIEJF-HNNXBMFYSA-N 1 1 289.382 3.493 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC001172314412 808224500 /nfs/dbraw/zinc/22/45/00/808224500.db2.gz JKJRFJKABSUEAV-QWHCGFSZSA-N 1 1 278.346 3.466 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC(F)(F)[C@H](F)C1 ZINC001172315150 808225314 /nfs/dbraw/zinc/22/53/14/808225314.db2.gz NUHPNNUBWCFMEF-BXUZGUMPSA-N 1 1 282.309 3.168 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC(F)(F)[C@H](F)C1 ZINC001172315150 808225318 /nfs/dbraw/zinc/22/53/18/808225318.db2.gz NUHPNNUBWCFMEF-BXUZGUMPSA-N 1 1 282.309 3.168 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001172315657 808225413 /nfs/dbraw/zinc/22/54/13/808225413.db2.gz PIXLEGIMUAGXEM-WQVCFCJDSA-N 1 1 290.357 3.466 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)c1ccsc1 ZINC001266199036 808227020 /nfs/dbraw/zinc/22/70/20/808227020.db2.gz SRMFMBWXJIJCMV-OAHLLOKOSA-N 1 1 292.448 3.299 20 30 CGEDMO Cc1cc2c(cn1)C[N@H+]([C@H](C)Cc1ccc(C#N)cc1)C2 ZINC001172318823 808227950 /nfs/dbraw/zinc/22/79/50/808227950.db2.gz JJCKIHIZKGIIAQ-CQSZACIVSA-N 1 1 277.371 3.209 20 30 CGEDMO Cc1nc2c(s1)C[N@@H+]([C@H](C)Cc1ccc(C#N)cc1)CC2 ZINC001172319364 808229402 /nfs/dbraw/zinc/22/94/02/808229402.db2.gz NJUUULSEURWKMX-GFCCVEGCSA-N 1 1 297.427 3.313 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1CCC[N@@H+](CC=C(C)C)C1 ZINC001266237071 808232013 /nfs/dbraw/zinc/23/20/13/808232013.db2.gz QDVXFNQRGSBLJX-NVXWUHKLSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC(=O)NCC[N@@H+](C)[C@H](C)c1ccc(F)cc1F ZINC001266262710 808235390 /nfs/dbraw/zinc/23/53/90/808235390.db2.gz RYJRCNQLYHONDN-GFCCVEGCSA-N 1 1 296.361 3.040 20 30 CGEDMO C=CCCC(=O)NCC[N@H+](C)[C@H](C)c1ccc(F)cc1F ZINC001266262710 808235394 /nfs/dbraw/zinc/23/53/94/808235394.db2.gz RYJRCNQLYHONDN-GFCCVEGCSA-N 1 1 296.361 3.040 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC)s2)C1 ZINC001266327526 808243085 /nfs/dbraw/zinc/24/30/85/808243085.db2.gz GWIMVMNFEBPWPL-CYBMUJFWSA-N 1 1 292.448 3.081 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001266343882 808245303 /nfs/dbraw/zinc/24/53/03/808245303.db2.gz AMIFIZJDJZTCFF-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO CCCCCCC[C@H](CC)[NH2+]CCNC(=O)C(F)(F)F ZINC001172347113 808246139 /nfs/dbraw/zinc/24/61/39/808246139.db2.gz RJHZHSMYXJZMMQ-LBPRGKRZSA-N 1 1 296.377 3.394 20 30 CGEDMO C=CC1(CC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CCCCC1 ZINC001266346991 808246555 /nfs/dbraw/zinc/24/65/55/808246555.db2.gz KMGOHANLTCSTLD-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CCO[C@H](COC)C1 ZINC001172362277 808257151 /nfs/dbraw/zinc/25/71/51/808257151.db2.gz TWRIUZLOUUSAMC-HOTGVXAUSA-N 1 1 271.445 3.473 20 30 CGEDMO C=CC1(CC(=O)NCC[N@H+](CC)CC2CC2)CCCCC1 ZINC001266422522 808260410 /nfs/dbraw/zinc/26/04/10/808260410.db2.gz FHXWLDCVSJWXEV-UHFFFAOYSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(CCC)CCC ZINC001266476729 808272358 /nfs/dbraw/zinc/27/23/58/808272358.db2.gz BODDBIYDCNWQDT-MRXNPFEDSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)CCC)C1 ZINC001266528133 808281907 /nfs/dbraw/zinc/28/19/07/808281907.db2.gz KGGCXADMJPFZBC-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)[C@@]1(C)CC=CCC1 ZINC001266562542 808287042 /nfs/dbraw/zinc/28/70/42/808287042.db2.gz FYPVFZQHUFUROG-KRWDZBQOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)[C@@]1(C)CCC[C@@H]1CC ZINC001266565205 808287336 /nfs/dbraw/zinc/28/73/36/808287336.db2.gz PKXFYZUWYTXJSI-RDJZCZTQSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)/C=C\C(C)(C)C ZINC001266837866 808322478 /nfs/dbraw/zinc/32/24/78/808322478.db2.gz XUANFDRKHDOKKR-JQPIKURYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CCC ZINC001266853080 808324049 /nfs/dbraw/zinc/32/40/49/808324049.db2.gz FAOGPXCVENBQCG-IXDOHACOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCC[N@@H+]1C/C=C/Cl ZINC001266853648 808325459 /nfs/dbraw/zinc/32/54/59/808325459.db2.gz PYAWLLXBRYTOOZ-YBZQBRCDSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCC[N@H+]1C/C=C/Cl ZINC001266853648 808325468 /nfs/dbraw/zinc/32/54/68/808325468.db2.gz PYAWLLXBRYTOOZ-YBZQBRCDSA-N 1 1 298.858 3.312 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCOC2(CCCCC2)C1 ZINC001172497393 808354341 /nfs/dbraw/zinc/35/43/41/808354341.db2.gz BLQHFWOUWZGJNT-AWEZNQCLSA-N 1 1 250.386 3.104 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)C2CCC2)C1 ZINC001267108809 808359359 /nfs/dbraw/zinc/35/93/59/808359359.db2.gz QYKFOFXDFCULCE-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO CCCCCCCC[C@H](CC)[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC001172505497 808360584 /nfs/dbraw/zinc/36/05/84/808360584.db2.gz OBXGZUKCMDKNAJ-YESZJQIVSA-N 1 1 285.472 3.191 20 30 CGEDMO C[C@H](CCCC#N)N1CCC(C)([NH+]2CCCC2)CC1 ZINC001172509821 808365786 /nfs/dbraw/zinc/36/57/86/808365786.db2.gz RCPMPSWSGVBTNE-OAHLLOKOSA-N 1 1 263.429 3.019 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@H](Oc2ccncc2)C1 ZINC001172509806 808366068 /nfs/dbraw/zinc/36/60/68/808366068.db2.gz QVHYIEYYQJWITK-HOCLYGCPSA-N 1 1 273.380 3.007 20 30 CGEDMO C#CCCCC(=O)NCC[N@H+](C)CC[C@H]1CCC[C@H](C)C1 ZINC001267193440 808377534 /nfs/dbraw/zinc/37/75/34/808377534.db2.gz QBSMWGSEPLDNMR-DLBZAZTESA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCCCC(=O)NCC[N@H+](C)Cc1cccc(Cl)c1 ZINC001267213822 808384259 /nfs/dbraw/zinc/38/42/59/808384259.db2.gz DBKQXBCZNJQAEV-UHFFFAOYSA-N 1 1 294.826 3.244 20 30 CGEDMO C=CCC[N@H+](CC)CCNC(=O)[C@H]1CCCC[C@H]1CC ZINC001267253488 808396111 /nfs/dbraw/zinc/39/61/11/808396111.db2.gz MWFOVKOJOYOFNE-CVEARBPZSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)c1cc(C)c(F)c(C)c1 ZINC001267256238 808396905 /nfs/dbraw/zinc/39/69/05/808396905.db2.gz OCGSMGIIAGAOCZ-UHFFFAOYSA-N 1 1 292.398 3.070 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H]1CCC[C@@H](C(=O)OC)C1 ZINC001172627985 808404338 /nfs/dbraw/zinc/40/43/38/808404338.db2.gz JUUNWZGTVKJTSX-IAGOWNOFSA-N 1 1 287.403 3.406 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)CC2=CCCCC2)C1 ZINC001267287858 808405303 /nfs/dbraw/zinc/40/53/03/808405303.db2.gz LFFFPYZDZHOPRP-KRWDZBQOSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](CNC(=O)C2(F)CCCC2)C1 ZINC001267297320 808406715 /nfs/dbraw/zinc/40/67/15/808406715.db2.gz HEHPHMJRVCWJSE-HUUCEWRRSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(Cl)C[N@H+](CCCNC(=O)[C@]1(C)C=CCC1)C(C)C ZINC001267308185 808410927 /nfs/dbraw/zinc/41/09/27/808410927.db2.gz PAKBCIACCREXJU-MRXNPFEDSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001267315154 808411570 /nfs/dbraw/zinc/41/15/70/808411570.db2.gz ZAKLJXYKKAKXFX-INIZCTEOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC/C=C\CC ZINC001267417772 808424465 /nfs/dbraw/zinc/42/44/65/808424465.db2.gz MLTUXCXINKERRG-CMKSSICZSA-N 1 1 290.451 3.230 20 30 CGEDMO CC(C)OC(=O)CC[C@@H](C)[N@@H+](CCC#N)C1CCCC1 ZINC001172758509 808432890 /nfs/dbraw/zinc/43/28/90/808432890.db2.gz APFJIRKTBAJGGE-CQSZACIVSA-N 1 1 280.412 3.265 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)[C@@H]1CCC[C@H](C)C1)C(C)C ZINC001267508134 808437232 /nfs/dbraw/zinc/43/72/32/808437232.db2.gz RSNLBLDPBKMHBJ-JKSUJKDBSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CCC)C(=O)/C(C)=C\C)C1 ZINC001267541161 808443185 /nfs/dbraw/zinc/44/31/85/808443185.db2.gz WRUNYGMOGHLKMJ-UJPCXNRSSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCCC(=O)N(CCC)[C@H]1CC[N@@H+](CC2CC(C)C2)C1 ZINC001267540320 808443216 /nfs/dbraw/zinc/44/32/16/808443216.db2.gz YFIINJMSHAFTFW-JCYILVPMSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](CCNC(=O)c2cscc2C)C1 ZINC001267553751 808446596 /nfs/dbraw/zinc/44/65/96/808446596.db2.gz MGTZASJJLPARGA-AWEZNQCLSA-N 1 1 292.448 3.074 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCC[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001267564868 808447880 /nfs/dbraw/zinc/44/78/80/808447880.db2.gz GPYWBSDMDPLWPV-AEFFLSMTSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001267570334 808449176 /nfs/dbraw/zinc/44/91/76/808449176.db2.gz MZHXLNZJOJURRF-DOTOQJQBSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001267576278 808449317 /nfs/dbraw/zinc/44/93/17/808449317.db2.gz PZABGCSNXZMJNJ-GVDBMIGSSA-N 1 1 292.467 3.073 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@H]1CCc2ccc(C)cc2C1 ZINC001172832822 808451495 /nfs/dbraw/zinc/45/14/95/808451495.db2.gz YPALNZWHKFAGCS-KRWDZBQOSA-N 1 1 256.393 3.478 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001267589056 808453339 /nfs/dbraw/zinc/45/33/39/808453339.db2.gz KIZFFBSAYKFNCT-BRWVUGGUSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+](C)CC1CCN(C(=O)C2(F)CCCCC2)CC1 ZINC001267603007 808456687 /nfs/dbraw/zinc/45/66/87/808456687.db2.gz OOYLWDWWZHDPNW-UHFFFAOYSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)C(C)(C)CC)C1 ZINC001267618997 808458637 /nfs/dbraw/zinc/45/86/37/808458637.db2.gz XQNBMYWXZFBASF-HUUCEWRRSA-N 1 1 280.456 3.358 20 30 CGEDMO CC#CCCCC(=O)N[C@@H]1CCC[N@H+](CC/C=C\CC)C1 ZINC001267617411 808459188 /nfs/dbraw/zinc/45/91/88/808459188.db2.gz HEAQAIRQHRFWQW-BQLWYNFJSA-N 1 1 290.451 3.117 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C[C@H](C)CCC)C1 ZINC001267623833 808461328 /nfs/dbraw/zinc/46/13/28/808461328.db2.gz YSUOFWFNIXXLJB-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCCCC[NH+]1CC(NC(=O)[C@H]2CCCC[C@@H]2C)C1 ZINC001267657027 808466422 /nfs/dbraw/zinc/46/64/22/808466422.db2.gz DMAKPIWLWSGSGQ-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](CC)c1ccccc1 ZINC001267704272 808474968 /nfs/dbraw/zinc/47/49/68/808474968.db2.gz LCVPNYKQTGDQHK-BZSNNMDCSA-N 1 1 298.430 3.389 20 30 CGEDMO C=CC(C)(C)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCCC ZINC001267705723 808475100 /nfs/dbraw/zinc/47/51/00/808475100.db2.gz KSJLLLZBGUACLR-GJZGRUSLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@H+](CCC(C)(C)C)C2)CCC1 ZINC001267730197 808478858 /nfs/dbraw/zinc/47/88/58/808478858.db2.gz JWDGDTPOIGZTLP-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO CC#CCCCC(=O)N[C@H]1CC[N@@H+](C[C@@H](C)CC(C)C)C1 ZINC001267729338 808478898 /nfs/dbraw/zinc/47/88/98/808478898.db2.gz SPODHMHWNSUPRW-IRXDYDNUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC(C[N@H+](C)CC(C)C)CC1 ZINC001267740286 808480753 /nfs/dbraw/zinc/48/07/53/808480753.db2.gz ZUUWBCPMFBZZAM-UHFFFAOYSA-N 1 1 280.456 3.025 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC001267747209 808483036 /nfs/dbraw/zinc/48/30/36/808483036.db2.gz OWYOJKDAIDCBTR-LSDHHAIUSA-N 1 1 280.456 3.071 20 30 CGEDMO C=C[C@H](CC)CC(=O)N(C)[C@@H]1CC[N@@H+](CCC(=C)C)C1 ZINC001267770959 808487738 /nfs/dbraw/zinc/48/77/38/808487738.db2.gz WCRLEKHPUZXKMO-HZPDHXFCSA-N 1 1 278.440 3.088 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H](C)CCCCCC)C1 ZINC001267791557 808493183 /nfs/dbraw/zinc/49/31/83/808493183.db2.gz VMSLVSDHOIDMAE-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)C[C@@H](C)CC(C)C)C1 ZINC001267790664 808494319 /nfs/dbraw/zinc/49/43/19/808494319.db2.gz RKFHXURLEVRMQG-DLBZAZTESA-N 1 1 292.467 3.005 20 30 CGEDMO N#CCC[N@H+](Cc1ccccc1)[C@@H]1CCc2ncsc2C1 ZINC001173138058 808523958 /nfs/dbraw/zinc/52/39/58/808523958.db2.gz YVGLAVQQWITESN-OAHLLOKOSA-N 1 1 297.427 3.416 20 30 CGEDMO N#CCC[N@@H+](Cc1ccccc1)[C@@H]1CCc2ncsc2C1 ZINC001173138058 808523963 /nfs/dbraw/zinc/52/39/63/808523963.db2.gz YVGLAVQQWITESN-OAHLLOKOSA-N 1 1 297.427 3.416 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173227598 808541705 /nfs/dbraw/zinc/54/17/05/808541705.db2.gz RFEDWMGIASTOCB-CYBMUJFWSA-N 1 1 275.352 3.151 20 30 CGEDMO C=CC[N@H+](C)CCN(C)C(=O)[C@@H](CC)C1CCC(C)CC1 ZINC001268238668 808566041 /nfs/dbraw/zinc/56/60/41/808566041.db2.gz JHYAVMPEICMNCK-JCYILVPMSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CC(C)(C)C(=O)N(C)CC[N@@H+](C)CC1CC2(CCC2)C1 ZINC001268245642 808567505 /nfs/dbraw/zinc/56/75/05/808567505.db2.gz RVDYWTWZJHSQQZ-UHFFFAOYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)/C(C)=C/CC)CC[C@H]21 ZINC001268266533 808573010 /nfs/dbraw/zinc/57/30/10/808573010.db2.gz ZGKHKBOPVCLBQC-LWNNDPPBSA-N 1 1 290.451 3.232 20 30 CGEDMO CC[C@@H]1CC[C@H]([N@H+]2CCCN(c3ccc(C#N)cn3)CC2)C1 ZINC001173286141 808586910 /nfs/dbraw/zinc/58/69/10/808586910.db2.gz FBAAQWLNPUREER-WBVHZDCISA-N 1 1 298.434 3.044 20 30 CGEDMO C=CCOC1CCC([NH2+]CCCN2CCC(C)CC2)CC1 ZINC001173311941 808606454 /nfs/dbraw/zinc/60/64/54/808606454.db2.gz RNLASBJFXFKMHN-UHFFFAOYSA-N 1 1 294.483 3.212 20 30 CGEDMO C=CCOC1CCC([NH2+][C@H]2CCN(C(C)C)C[C@@H]2C)CC1 ZINC001173319580 808610122 /nfs/dbraw/zinc/61/01/22/808610122.db2.gz NCNRPMFNWITSBW-BFWZDYSYSA-N 1 1 294.483 3.209 20 30 CGEDMO CC[N@@H+](Cc1ccncc1)C1CCC(CC#N)CC1 ZINC001173331711 808616236 /nfs/dbraw/zinc/61/62/36/808616236.db2.gz FPTLTAYAXVMGGZ-UHFFFAOYSA-N 1 1 257.381 3.376 20 30 CGEDMO CCCCCCOC(=O)C[NH2+]C1CCC(CC#N)CC1 ZINC001173334250 808617644 /nfs/dbraw/zinc/61/76/44/808617644.db2.gz OJTNPOYQNFBAFP-UHFFFAOYSA-N 1 1 280.412 3.172 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)CCCc1ccsc1 ZINC001268736245 808617871 /nfs/dbraw/zinc/61/78/71/808617871.db2.gz QOLKMWVXQFRRGO-AWEZNQCLSA-N 1 1 294.464 3.083 20 30 CGEDMO C=CC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(C)c(Cl)c1F ZINC001268741437 808619465 /nfs/dbraw/zinc/61/94/65/808619465.db2.gz ZPUWTNVXNBNTCD-LLVKDONJSA-N 1 1 298.789 3.024 20 30 CGEDMO C=CC[N@H+](C)C[C@H](C)NC(=O)c1ccc(-c2ccccc2)o1 ZINC001268747258 808622089 /nfs/dbraw/zinc/62/20/89/808622089.db2.gz WMQSCFMWAGZUIC-AWEZNQCLSA-N 1 1 298.386 3.183 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001269103879 808647784 /nfs/dbraw/zinc/64/77/84/808647784.db2.gz FMKZDFMYIQCVKL-VXGBXAGGSA-N 1 1 296.798 3.092 20 30 CGEDMO CC(C)N1CC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)[C@H](C)C1 ZINC001173591959 808648956 /nfs/dbraw/zinc/64/89/56/808648956.db2.gz AIWNDXRYGWLMQQ-KZYLPZIUSA-N 1 1 277.456 3.167 20 30 CGEDMO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173596058 808649994 /nfs/dbraw/zinc/64/99/94/808649994.db2.gz IDFZPYTVZZPWRM-TUBUQKNSSA-N 1 1 292.423 3.122 20 30 CGEDMO Cc1cccc(O[C@@H]2CC[N@H+](C3CCC(C)(C#N)CC3)C2)n1 ZINC001173597255 808651068 /nfs/dbraw/zinc/65/10/68/808651068.db2.gz NLBZKVBYVYWHDQ-UPTPFMHGSA-N 1 1 299.418 3.316 20 30 CGEDMO Cc1cnc2c(c1)C[N@@H+](C1CCC(C)(C#N)CC1)CC2 ZINC001173600662 808651276 /nfs/dbraw/zinc/65/12/76/808651276.db2.gz IEQPTQIVLDLAQI-UHFFFAOYSA-N 1 1 269.392 3.221 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001269172754 808651342 /nfs/dbraw/zinc/65/13/42/808651342.db2.gz VUKNETVSYOQWBH-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCC[N@@H+](CCC#N)C1CCN(CC(F)(F)F)CC1 ZINC001173668854 808662862 /nfs/dbraw/zinc/66/28/62/808662862.db2.gz FXZOFGXNYQUIPE-UHFFFAOYSA-N 1 1 291.361 3.029 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(C)cc2)C1 ZINC001269293072 808665006 /nfs/dbraw/zinc/66/50/06/808665006.db2.gz UURLSCWBTIIBBM-QGZVFWFLSA-N 1 1 298.430 3.042 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@]2(CC[N@@H+](C/C=C/Cl)C2)C1 ZINC001269732239 808702173 /nfs/dbraw/zinc/70/21/73/808702173.db2.gz PYRPDCWZIMFEOL-ICFOYXHFSA-N 1 1 296.842 3.020 20 30 CGEDMO COc1ccccc1Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001173839486 808702768 /nfs/dbraw/zinc/70/27/68/808702768.db2.gz VMFRRGOYCYAFSW-UHFFFAOYSA-N 1 1 299.399 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C=C(C)C)C2 ZINC001271720950 808781082 /nfs/dbraw/zinc/78/10/82/808781082.db2.gz ILCDWCWITZMEFA-BJWYYQGGSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)CC1=CCCCC1 ZINC001271978254 808791687 /nfs/dbraw/zinc/79/16/87/808791687.db2.gz YLAVHRGLHIBFCQ-UHFFFAOYSA-N 1 1 278.440 3.233 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)c1oc(C)cc1C ZINC001271991029 808792077 /nfs/dbraw/zinc/79/20/77/808792077.db2.gz WSJONKPQGCEHNZ-CQSZACIVSA-N 1 1 292.423 3.255 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)CCN(C)C(=O)[C@@H](C)C(C)C ZINC001272125612 808797566 /nfs/dbraw/zinc/79/75/66/808797566.db2.gz KEWFNCHLQSBWFR-GJZGRUSLSA-N 1 1 268.445 3.023 20 30 CGEDMO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2CC(CC)CC ZINC001272424290 808808562 /nfs/dbraw/zinc/80/85/62/808808562.db2.gz NWAUFPKWEULVQQ-SFHVURJKSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccccc1CNC(=O)c1ccco1 ZINC001272663212 808819208 /nfs/dbraw/zinc/81/92/08/808819208.db2.gz OWCLFMBWHDHVBZ-UHFFFAOYSA-N 1 1 298.386 3.218 20 30 CGEDMO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2cccc(C)c2)C1=O ZINC001272906725 808826528 /nfs/dbraw/zinc/82/65/28/808826528.db2.gz FAMLROJIBLMDPH-IBGZPJMESA-N 1 1 298.430 3.138 20 30 CGEDMO N#CCc1cccc(Nc2cc[nH+]c3ccccc23)c1 ZINC001174040196 808839685 /nfs/dbraw/zinc/83/96/85/808839685.db2.gz XIODRKKYJIMPCB-UHFFFAOYSA-N 1 1 259.312 3.466 20 30 CGEDMO COc1cccc(Nc2cc[nH+]c3ccccc23)c1C#N ZINC001174040130 808839817 /nfs/dbraw/zinc/83/98/17/808839817.db2.gz SYFQREKDAOQIMZ-UHFFFAOYSA-N 1 1 275.311 3.281 20 30 CGEDMO C#CCCCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)CCC=C)CC1 ZINC001273408294 808843435 /nfs/dbraw/zinc/84/34/35/808843435.db2.gz BIYDOUHQJJGKHD-IRXDYDNUSA-N 1 1 290.451 3.115 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@]2(CCN(CC(=C)C)C2=O)CC1 ZINC001273487772 808847742 /nfs/dbraw/zinc/84/77/42/808847742.db2.gz QNGXPUJNAQOUML-SFHVURJKSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CC[N@H+](C)CCCN(C)C(=O)[C@H](C)[C@@H](C)C(C)(C)C ZINC001273571933 808855118 /nfs/dbraw/zinc/85/51/18/808855118.db2.gz SHCDPFCYFCJAOX-HUUCEWRRSA-N 1 1 282.472 3.271 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)/C=C/C(C)(C)C)C(C)(C)C1 ZINC001274425111 808876594 /nfs/dbraw/zinc/87/65/94/808876594.db2.gz JZAQVGXOLWSMGK-TUPIDYKKSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CC[N@H+](CCC)[C@@H](C)C1 ZINC001274622217 808879416 /nfs/dbraw/zinc/87/94/16/808879416.db2.gz BIGSHWIFHQMXBM-HOCLYGCPSA-N 1 1 278.440 3.134 20 30 CGEDMO CCCCCCCCCC[N@H+]1C[C@@H]2COC[C@H](C1)N2C ZINC001275133302 808914405 /nfs/dbraw/zinc/91/44/05/808914405.db2.gz OZUPHUHHABWWGN-CALCHBBNSA-N 1 1 282.472 3.142 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)Cc1ccc(C)s1 ZINC001275727861 808960354 /nfs/dbraw/zinc/96/03/54/808960354.db2.gz ACARHOZWYXKVND-ZDUSSCGKSA-N 1 1 294.464 3.002 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C1CCCC1 ZINC001276041341 808985923 /nfs/dbraw/zinc/98/59/23/808985923.db2.gz WBTYTEBKIUKJNO-MSOLQXFVSA-N 1 1 292.467 3.060 20 30 CGEDMO C#Cc1cccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCCC2)c1 ZINC001276096976 808987636 /nfs/dbraw/zinc/98/76/36/808987636.db2.gz PWSLUUBKELRIDD-BGYRXZFFSA-N 1 1 294.442 3.259 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H]1CCCCC[N@@H+]1CC[C@@H](C)F ZINC001276300122 808999930 /nfs/dbraw/zinc/99/99/30/808999930.db2.gz OWKNDHSIZRIKHJ-HZPDHXFCSA-N 1 1 298.446 3.452 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)F)C(C)(C)C1 ZINC001276555309 809017344 /nfs/dbraw/zinc/01/73/44/809017344.db2.gz NDCSLYCSGGMFJH-CQSZACIVSA-N 1 1 298.446 3.308 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CCC(C)C)CC1(C)C ZINC001276608502 809020887 /nfs/dbraw/zinc/02/08/87/809020887.db2.gz QVDQBRUPZFFJQP-CRAIPNDOSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)/C=C/C(C)(C)C ZINC001276809660 809034321 /nfs/dbraw/zinc/03/43/21/809034321.db2.gz MATRFAAGGNACPZ-XXQUSICCSA-N 1 1 278.440 3.134 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H]1CC[N@@H+]1C[C@@H](C)CC(C)C ZINC001276860587 809038805 /nfs/dbraw/zinc/03/88/05/809038805.db2.gz KBAITYVVDZFNKP-JKSUJKDBSA-N 1 1 280.456 3.215 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]1CNC(=O)C1(F)CCCC1 ZINC001276874393 809039153 /nfs/dbraw/zinc/03/91/53/809039153.db2.gz DAKHHUFPGYIYAE-HNNXBMFYSA-N 1 1 298.446 3.430 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H]1CC[N@@H+]1C[C@H](C)CC(C)C ZINC001276860586 809040628 /nfs/dbraw/zinc/04/06/28/809040628.db2.gz KBAITYVVDZFNKP-HZPDHXFCSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)C1CC2(CCC2)C1 ZINC001276909173 809043283 /nfs/dbraw/zinc/04/32/83/809043283.db2.gz OHOLOAHZCSTEJK-GDBMZVCRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccsc1 ZINC001276915516 809044637 /nfs/dbraw/zinc/04/46/37/809044637.db2.gz BSXWEHXSDKXNDC-HOCLYGCPSA-N 1 1 292.448 3.041 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccsc1 ZINC001276915516 809044642 /nfs/dbraw/zinc/04/46/42/809044642.db2.gz BSXWEHXSDKXNDC-HOCLYGCPSA-N 1 1 292.448 3.041 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CC[N@@H+]2CC(C)C)CCCCC1 ZINC001276979879 809052285 /nfs/dbraw/zinc/05/22/85/809052285.db2.gz RNKVEDWWWOVDRP-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C[N@H+]1CCC[C@]2(CCCN(c3cc(C#N)ccc3F)C2)C1 ZINC001277022207 809054677 /nfs/dbraw/zinc/05/46/77/809054677.db2.gz ASYUCPBCPOCKTK-KRWDZBQOSA-N 1 1 287.382 3.010 20 30 CGEDMO C=CCCCCCC[N@@H+]1CC[C@@]2(CCC[C@H]2C(N)=O)C1 ZINC001277152798 809060769 /nfs/dbraw/zinc/06/07/69/809060769.db2.gz OZFLCSFWXWCKBT-RDJZCZTQSA-N 1 1 278.440 3.100 20 30 CGEDMO CCCCCCCCCC[N@H+]1CC[C@@H]2C[C@@]21C(N)=O ZINC001277234445 809065313 /nfs/dbraw/zinc/06/53/13/809065313.db2.gz ZXEDHFNPRCQKFH-ZBFHGGJFSA-N 1 1 266.429 3.077 20 30 CGEDMO C=C(C)CC[N@H+](C)C1CCN(C(=O)C[C@H](C)CC)CC1 ZINC001277391253 809073404 /nfs/dbraw/zinc/07/34/04/809073404.db2.gz FABJESLSARVRBG-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO N#CCCN1CCC[C@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001277939230 809107791 /nfs/dbraw/zinc/10/77/91/809107791.db2.gz PORFEKSULIRSGV-KRWDZBQOSA-N 1 1 275.440 3.021 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC(C)C ZINC001278303387 809123775 /nfs/dbraw/zinc/12/37/75/809123775.db2.gz PFPBNNOVTZASBT-SJORKVTESA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)CCC2CCCC2)C1 ZINC001278357696 809127753 /nfs/dbraw/zinc/12/77/53/809127753.db2.gz RXXDNSGVHJYRHM-INIZCTEOSA-N 1 1 298.858 3.290 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)CCC2CCCC2)C1 ZINC001278357696 809127756 /nfs/dbraw/zinc/12/77/56/809127756.db2.gz RXXDNSGVHJYRHM-INIZCTEOSA-N 1 1 298.858 3.290 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)CC2(C)CCCCC2)C1 ZINC001278410369 809131458 /nfs/dbraw/zinc/13/14/58/809131458.db2.gz LVKZONSHHIKGBR-QGZVFWFLSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)CCC(C)C)CCC[C@H]12 ZINC001278431955 809134250 /nfs/dbraw/zinc/13/42/50/809134250.db2.gz SVGQSDFUXJYUOF-DOTOQJQBSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CCC[N@@H+](CC=C(C)C)[C@@H]1C ZINC001278521256 809140094 /nfs/dbraw/zinc/14/00/94/809140094.db2.gz MQJWOBPUZQOFCR-HZPDHXFCSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)CC2CCC2)C1 ZINC001278653131 809149414 /nfs/dbraw/zinc/14/94/14/809149414.db2.gz JEIKHGUZSJAUMN-SFHVURJKSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=C)Cl)C2 ZINC001278947848 809158482 /nfs/dbraw/zinc/15/84/82/809158482.db2.gz MZTOSSLPUNGLIL-KKUMJFAQSA-N 1 1 296.842 3.064 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCC1CC1 ZINC001279577530 809174896 /nfs/dbraw/zinc/17/48/96/809174896.db2.gz SZLSYJJCHRQRGZ-IAGOWNOFSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)/C=C(\C)C2CC2)CC1 ZINC001280709620 809195649 /nfs/dbraw/zinc/19/56/49/809195649.db2.gz OSLXYMDXBRZSHB-HBIYDYFMSA-N 1 1 296.842 3.066 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC)CCCCC)CC1 ZINC001280776818 809198716 /nfs/dbraw/zinc/19/87/16/809198716.db2.gz LZKVLQTZFCLENP-IRXDYDNUSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@H+](C)CCCN(C)C(=O)C1(F)CCCC1 ZINC001280831208 809201752 /nfs/dbraw/zinc/20/17/52/809201752.db2.gz CDEVEIPQCOJCFL-UHFFFAOYSA-N 1 1 284.419 3.015 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](CC2CCC2)[C@@H](C)C1 ZINC001281666239 809216289 /nfs/dbraw/zinc/21/62/89/809216289.db2.gz WSDIZHORSXWMPG-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CC(C)(C)C=C)C[C@@H]1C ZINC001281664831 809217169 /nfs/dbraw/zinc/21/71/69/809217169.db2.gz NUDXSNSRWCYDHQ-GJZGRUSLSA-N 1 1 278.440 3.134 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001282486059 809251574 /nfs/dbraw/zinc/25/15/74/809251574.db2.gz PFBCKWOGXKCRND-JYJNAYRXSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCCF ZINC001282666890 809257650 /nfs/dbraw/zinc/25/76/50/809257650.db2.gz UEDGFFNVMCPWGW-OAHLLOKOSA-N 1 1 284.419 3.063 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@]1(C)C=CCC1 ZINC001282675107 809259843 /nfs/dbraw/zinc/25/98/43/809259843.db2.gz JVVCYUCZNOSPBJ-AEFFLSMTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)CC)[C@@H]1C ZINC001284133286 809297629 /nfs/dbraw/zinc/29/76/29/809297629.db2.gz VMNRDZGANZLKBM-GJZGRUSLSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](CC=C(C)C)[C@@H]1C ZINC001284128890 809298096 /nfs/dbraw/zinc/29/80/96/809298096.db2.gz DXQPKYYTMWSDSX-CABCVRRESA-N 1 1 278.440 3.134 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)[C@H](C)c1cccs1)C(C)C ZINC001284544674 809308222 /nfs/dbraw/zinc/30/82/22/809308222.db2.gz OHKOXHVXMYFBFK-CQSZACIVSA-N 1 1 294.464 3.206 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)C=C(CC)CC)C(C)C ZINC001284530894 809308604 /nfs/dbraw/zinc/30/86/04/809308604.db2.gz UMTOXSONDSFEDR-UHFFFAOYSA-N 1 1 266.429 3.088 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)[C@H](C)C2CCCC2)CC1 ZINC001284978642 809321609 /nfs/dbraw/zinc/32/16/09/809321609.db2.gz SDZVPCJWXPJNCE-OAHLLOKOSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)[C@H](CCC)C(C)C)CC1 ZINC001284967798 809321805 /nfs/dbraw/zinc/32/18/05/809321805.db2.gz SPQRTRMIUKGENN-QGZVFWFLSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C(C)CN1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001175349137 809371479 /nfs/dbraw/zinc/37/14/79/809371479.db2.gz CQHMAXDSULTGBL-MRXNPFEDSA-N 1 1 250.430 3.149 20 30 CGEDMO N#Cc1cccc(NC2=CC[N@@H+](Cc3ccccc3)CC2)n1 ZINC001175504485 809432578 /nfs/dbraw/zinc/43/25/78/809432578.db2.gz CZUUBQRILUTKSY-UHFFFAOYSA-N 1 1 290.370 3.155 20 30 CGEDMO CCCCCCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001301252909 809581023 /nfs/dbraw/zinc/58/10/23/809581023.db2.gz YTFZXTBNFFGOJK-INIZCTEOSA-N 1 1 276.424 3.376 20 30 CGEDMO Cc1cn2cc(Nc3ccc(F)c(C#N)c3)ccc2[nH+]1 ZINC001176612263 809730240 /nfs/dbraw/zinc/73/02/40/809730240.db2.gz CZRDQPMQEFLCQV-UHFFFAOYSA-N 1 1 266.279 3.397 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001176771077 809760027 /nfs/dbraw/zinc/76/00/27/809760027.db2.gz FILYBHMGKOCETH-SJORKVTESA-N 1 1 270.376 3.022 20 30 CGEDMO N#Cc1ccc(Br)c(C[NH2+]C/C=C/Cl)c1 ZINC001179747264 809941616 /nfs/dbraw/zinc/94/16/16/809941616.db2.gz INTQVJUHNRJKNN-DAFODLJHSA-N 1 1 285.572 3.163 20 30 CGEDMO C=CC[N@@H+](Cc1c2c(nn1C)CCCC2)Cc1ccccc1 ZINC001179997351 809965798 /nfs/dbraw/zinc/96/57/98/809965798.db2.gz JEFUYWWKRWVFCN-UHFFFAOYSA-N 1 1 295.430 3.487 20 30 CGEDMO C=CC[N@H+](Cc1c2c(nn1C)CCCC2)Cc1ccccc1 ZINC001179997351 809965801 /nfs/dbraw/zinc/96/58/01/809965801.db2.gz JEFUYWWKRWVFCN-UHFFFAOYSA-N 1 1 295.430 3.487 20 30 CGEDMO C=CCC[C@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)OCC ZINC001181826987 810074972 /nfs/dbraw/zinc/07/49/72/810074972.db2.gz IRLOWJMFOKIDJE-ZQDZILKHSA-N 1 1 265.397 3.053 20 30 CGEDMO C=C(C)C[C@@H]([NH2+]C1CCC(C(C)C)CC1)C(=O)OC ZINC001183326419 810145119 /nfs/dbraw/zinc/14/51/19/810145119.db2.gz VZQPHOYTCPTVLE-YMAMQOFZSA-N 1 1 267.413 3.299 20 30 CGEDMO C=CCCC(=O)N1CCC([C@@H]2CCC[N@H+](CC)CC2)CC1 ZINC001186591516 810348914 /nfs/dbraw/zinc/34/89/14/810348914.db2.gz ZZBJALGGJSAWLM-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CC(C)(C)C)[C@@H]2C1 ZINC001186844301 810363827 /nfs/dbraw/zinc/36/38/27/810363827.db2.gz CHNXHTTVLXAALQ-OWCLPIDISA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)C(C)C)[C@@H]2C1 ZINC001187190790 810390026 /nfs/dbraw/zinc/39/00/26/810390026.db2.gz CAYDIQNUWPLQJI-IXDOHACOSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CCC=C)[C@@H]2C1 ZINC001187240324 810390888 /nfs/dbraw/zinc/39/08/88/810390888.db2.gz PUXJWRGHLCEFEV-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)CCC)C1 ZINC001188635557 810497391 /nfs/dbraw/zinc/49/73/91/810497391.db2.gz ZZSCUTCZDQEWRZ-HNNXBMFYSA-N 1 1 268.445 3.290 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(C)s2)C1 ZINC001188651641 810498285 /nfs/dbraw/zinc/49/82/85/810498285.db2.gz ITYLEEAOSYTBRX-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC001188674878 810502182 /nfs/dbraw/zinc/50/21/82/810502182.db2.gz HBSSCIZVHDEIDM-DOTOQJQBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)c2cccs2)C1 ZINC001188702597 810504574 /nfs/dbraw/zinc/50/45/74/810504574.db2.gz QUFXMFZLZGOAAM-KBPBESRZSA-N 1 1 292.448 3.249 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)CCC2CCCC2)C1 ZINC001188707810 810506676 /nfs/dbraw/zinc/50/66/76/810506676.db2.gz AZJYXDKMRYDIIR-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)c2ccoc2C)C1 ZINC001188784266 810512745 /nfs/dbraw/zinc/51/27/45/810512745.db2.gz INPPHCWVWMLFCM-DZGCQCFKSA-N 1 1 290.407 3.089 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](F)CC)[C@@H]2C1 ZINC001188777044 810513146 /nfs/dbraw/zinc/51/31/46/810513146.db2.gz KEMGWXUDBNXNRS-ARFHVFGLSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)/C(C)=C\CC)C1 ZINC001189179626 810547257 /nfs/dbraw/zinc/54/72/57/810547257.db2.gz RQEOCQPJFMMFMU-KCKALFRLSA-N 1 1 278.440 3.230 20 30 CGEDMO C=CCCC(=O)N1CC[C@@H]([N@@H+](C)CCC2CCCC2)C1 ZINC001189318363 810557467 /nfs/dbraw/zinc/55/74/67/810557467.db2.gz KFHKHNOLTOFJQR-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)CCCC(C)(C)C)C1 ZINC001189389788 810566693 /nfs/dbraw/zinc/56/66/93/810566693.db2.gz LUTBIPYAOOANCP-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)/C=C/C(C)(C)C)C1 ZINC001189438333 810570268 /nfs/dbraw/zinc/57/02/68/810570268.db2.gz RUHUQWBDFAXGCU-VMNGNHSPSA-N 1 1 292.467 3.476 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)/C(C)=C/C)C1 ZINC001189582478 810579206 /nfs/dbraw/zinc/57/92/06/810579206.db2.gz HNSMRCHJRFXYHX-KBHCHJSJSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)/C(C)=C\C)C1 ZINC001189582481 810579216 /nfs/dbraw/zinc/57/92/16/810579216.db2.gz HNSMRCHJRFXYHX-OBHDYHNASA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)c2c(C)coc2C)C1 ZINC001189946049 810596862 /nfs/dbraw/zinc/59/68/62/810596862.db2.gz ZTRPLVMCHAKVPB-HNNXBMFYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)CC2(C)CCCC2)C1 ZINC001189955865 810597975 /nfs/dbraw/zinc/59/79/75/810597975.db2.gz CZSHWHFTKUBPGP-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[C@@H]([N@@H+](C)CC=C(C)C)C1 ZINC001190329986 810619763 /nfs/dbraw/zinc/61/97/63/810619763.db2.gz XHEVSTJMUYTQNP-QGZVFWFLSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[C@@H]([N@H+](C)CCCCC)C1 ZINC001190354651 810622409 /nfs/dbraw/zinc/62/24/09/810622409.db2.gz MNAIJPOSYLWWIK-QGZVFWFLSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[C@H]([N@@H+](C)CC2CCC2)C1 ZINC001190355077 810623446 /nfs/dbraw/zinc/62/34/46/810623446.db2.gz SCWWPOSJSAQPHN-KRWDZBQOSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)CCC[C@@H](C)CCC)C1 ZINC001190369679 810623494 /nfs/dbraw/zinc/62/34/94/810623494.db2.gz FKHSZDNODUJVSY-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO CCCCCCCCC[N@@H+](C)C[C@H]1CCc2ncnn21 ZINC001190495534 810631866 /nfs/dbraw/zinc/63/18/66/810631866.db2.gz SAFHDHPQTJHVFZ-OAHLLOKOSA-N 1 1 278.444 3.448 20 30 CGEDMO C#CC[N@H+](CC(=O)N[C@H](C)c1ccccc1)C1CCCCC1 ZINC001190706698 810645053 /nfs/dbraw/zinc/64/50/53/810645053.db2.gz BQNWMJCLKHMNJH-MRXNPFEDSA-N 1 1 298.430 3.132 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]([N@H+](C)CCCC(C)C)C1 ZINC001191719408 810733048 /nfs/dbraw/zinc/73/30/48/810733048.db2.gz LTOCNYYXDPUUMT-HNNXBMFYSA-N 1 1 280.456 3.168 20 30 CGEDMO CCC[C@@H]1[C@H](C)CCC[N@H+]1Cc1cc(C#N)ccn1 ZINC001191789607 810740655 /nfs/dbraw/zinc/74/06/55/810740655.db2.gz LUIMTTNVPTTWFV-CZUORRHYSA-N 1 1 257.381 3.354 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CCCC#CC)C1 ZINC001191858928 810753003 /nfs/dbraw/zinc/75/30/03/810753003.db2.gz FOPIVQYTVIYSRX-IAGOWNOFSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([N@@H+](C)CCCCCF)C1 ZINC001191901031 810756175 /nfs/dbraw/zinc/75/61/75/810756175.db2.gz FMUVIRLJAKYFMW-JKSUJKDBSA-N 1 1 298.446 3.261 20 30 CGEDMO C=CCCCC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)CCC=C)C1 ZINC001192093212 810768021 /nfs/dbraw/zinc/76/80/21/810768021.db2.gz HUYCOXGKUSXMFM-JKSUJKDBSA-N 1 1 278.440 3.230 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C2(C)CCCCC2)C1 ZINC001192125192 810771015 /nfs/dbraw/zinc/77/10/15/810771015.db2.gz DGZYHBDJHWKZRI-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@H]([N@@H+](C)CC=C(C)C)C1 ZINC001192161365 810772706 /nfs/dbraw/zinc/77/27/06/810772706.db2.gz IMGFNRWGNZPXBU-RDJZCZTQSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)C2(CCCC)CC2)C1 ZINC001192190920 810774596 /nfs/dbraw/zinc/77/45/96/810774596.db2.gz VODSQLFZCOGIOR-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@H]([N@H+](C)C[C@H](C)CC)C1 ZINC001192578560 810808075 /nfs/dbraw/zinc/80/80/75/810808075.db2.gz PYGVPTBTRCYVIG-CABCVRRESA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@H]([N@H+](C)CC/C=C\CC)C1 ZINC001192586378 810809049 /nfs/dbraw/zinc/80/90/49/810809049.db2.gz NPPPMFUTOAPCQQ-QWGSZXSUSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccsc2Cl)C1 ZINC001192680220 810814909 /nfs/dbraw/zinc/81/49/09/810814909.db2.gz NCWHUARLLVADQL-LLVKDONJSA-N 1 1 298.839 3.124 20 30 CGEDMO CCCCCCC[C@H](C)NC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC001192931843 810830268 /nfs/dbraw/zinc/83/02/68/810830268.db2.gz VUPKLYXNPAQPSS-HNNXBMFYSA-N 1 1 297.487 3.471 20 30 CGEDMO CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001193479517 810893782 /nfs/dbraw/zinc/89/37/82/810893782.db2.gz XBVWPBHFCSHFKI-HOTGVXAUSA-N 1 1 292.467 3.005 20 30 CGEDMO CC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001193479516 810893913 /nfs/dbraw/zinc/89/39/13/810893913.db2.gz XBVWPBHFCSHFKI-CVEARBPZSA-N 1 1 292.467 3.005 20 30 CGEDMO CCCCCCCOC(=O)N1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001194004647 810998824 /nfs/dbraw/zinc/99/88/24/810998824.db2.gz ZBFOEWQKBHDDRO-HUUCEWRRSA-N 1 1 282.428 3.119 20 30 CGEDMO CCCCCCCOC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC001194005462 810999484 /nfs/dbraw/zinc/99/94/84/810999484.db2.gz RWYMWOMCIPJAHQ-UHFFFAOYSA-N 1 1 270.417 3.119 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)c2sccc2CC)C1 ZINC001194208664 811036364 /nfs/dbraw/zinc/03/63/64/811036364.db2.gz JPSDLXOTDWPRBJ-AWEZNQCLSA-N 1 1 292.448 3.033 20 30 CGEDMO CCCCCCCCOC(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC001194747708 811122209 /nfs/dbraw/zinc/12/22/09/811122209.db2.gz HBBWLSLCYOADCD-CQSZACIVSA-N 1 1 270.417 3.025 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)CCCCC)CC1 ZINC001194876391 811161932 /nfs/dbraw/zinc/16/19/32/811161932.db2.gz QPJBCEHOKANFRJ-UHFFFAOYSA-N 1 1 266.429 3.067 20 30 CGEDMO C=CCCC(=O)N1CCC[N@H+](CCCCCC)CC1 ZINC001195232387 811229982 /nfs/dbraw/zinc/22/99/82/811229982.db2.gz JURBUWZTAXJFLZ-UHFFFAOYSA-N 1 1 266.429 3.067 20 30 CGEDMO CC(C)(C#N)CCN1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001195334367 811242788 /nfs/dbraw/zinc/24/27/88/811242788.db2.gz OWXXCQADLQOBIR-MSOLQXFVSA-N 1 1 297.446 3.133 20 30 CGEDMO CC(C)(C#N)CC[N@@H+]1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001195334367 811242794 /nfs/dbraw/zinc/24/27/94/811242794.db2.gz OWXXCQADLQOBIR-MSOLQXFVSA-N 1 1 297.446 3.133 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001195334367 811242801 /nfs/dbraw/zinc/24/28/01/811242801.db2.gz OWXXCQADLQOBIR-MSOLQXFVSA-N 1 1 297.446 3.133 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)/C=C/C(C)(C)C)CC1 ZINC001195356612 811248155 /nfs/dbraw/zinc/24/81/55/811248155.db2.gz UKJQUELOJUISER-OFAQMXQXSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCN(C(=O)/C(C)=C/C)CC1 ZINC001195444853 811254621 /nfs/dbraw/zinc/25/46/21/811254621.db2.gz XDOIWVIMJYTCLA-FZSIALSZSA-N 1 1 278.440 3.233 20 30 CGEDMO C#CCCCC(=O)N1CCC[N@H+]([C@@H](C)c2ccccc2)CC1 ZINC001195644880 811274888 /nfs/dbraw/zinc/27/48/88/811274888.db2.gz BQYAUOADSFUCCQ-KRWDZBQOSA-N 1 1 298.430 3.085 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCC[N@H+](CCC(C)C)CC1 ZINC001195966426 811306317 /nfs/dbraw/zinc/30/63/17/811306317.db2.gz DFNQFTNHTLSXRM-UHFFFAOYSA-N 1 1 292.467 3.335 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@@H](C)C2CCC2)CC1 ZINC001196259657 811328747 /nfs/dbraw/zinc/32/87/47/811328747.db2.gz NHYUAYJNSXTKAR-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CC(=O)Nc2ccc(C)c(Cl)c2)C1 ZINC001196441761 811342884 /nfs/dbraw/zinc/34/28/84/811342884.db2.gz MOQDPXPCYSQGCE-ZDUSSCGKSA-N 1 1 292.810 3.485 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C(C)(C)C=C)CC1 ZINC001196732469 811360675 /nfs/dbraw/zinc/36/06/75/811360675.db2.gz QDISSIZNEYFDKF-HNNXBMFYSA-N 1 1 278.440 3.088 20 30 CGEDMO C[N@H+](Cc1ccc2cnccc2c1)[C@H]1CCC[C@H]1C#N ZINC001196833560 811372688 /nfs/dbraw/zinc/37/26/88/811372688.db2.gz STITUEHTAXLJHF-RDJZCZTQSA-N 1 1 265.360 3.359 20 30 CGEDMO C[N@@H+](Cc1ccc2cnccc2c1)[C@H]1CCC[C@H]1C#N ZINC001196833560 811372697 /nfs/dbraw/zinc/37/26/97/811372697.db2.gz STITUEHTAXLJHF-RDJZCZTQSA-N 1 1 265.360 3.359 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCN(C(=O)C[C@H]2C[C@@H]2C)CC1 ZINC001197038281 811392473 /nfs/dbraw/zinc/39/24/73/811392473.db2.gz WFMDFOKFDLKHPB-DLBZAZTESA-N 1 1 292.467 3.313 20 30 CGEDMO Clc1ccc(C#CC[N@H+]2CC[C@@H]3CSC[C@@H]3C2)cc1 ZINC001197032784 811392816 /nfs/dbraw/zinc/39/28/16/811392816.db2.gz SKILVWIQARMDPI-CABCVRRESA-N 1 1 291.847 3.376 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]2CC)CC1 ZINC001197062287 811393662 /nfs/dbraw/zinc/39/36/62/811393662.db2.gz OOTGYCOCRDJGKY-IAGOWNOFSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H](C)CC(C)C)CC1 ZINC001197605642 811433605 /nfs/dbraw/zinc/43/36/05/811433605.db2.gz AXPVNXDBKLSXPN-INIZCTEOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC1(C(=O)N2CCC[N@H+](CCC)CC2)CCCCC1 ZINC001198221688 811484332 /nfs/dbraw/zinc/48/43/32/811484332.db2.gz NBKYRRIRMICPFE-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](C[C@@H](C)CC)C2 ZINC001201502830 811870559 /nfs/dbraw/zinc/87/05/59/811870559.db2.gz LGVNEDZXNVDFKR-YESZJQIVSA-N 1 1 281.440 3.106 20 30 CGEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+](C[C@H](C)CCC)C2 ZINC001201543961 811895797 /nfs/dbraw/zinc/89/57/97/811895797.db2.gz UKEILBPRGNPTQH-SJLPKXTDSA-N 1 1 292.467 3.456 20 30 CGEDMO CCCCCCC[N@@H+]1CCn2c(COC)cnc2[C@H]1C ZINC001201762764 811963816 /nfs/dbraw/zinc/96/38/16/811963816.db2.gz TZHQEYRXECYUAE-CQSZACIVSA-N 1 1 279.428 3.377 20 30 CGEDMO CCCCCCC[N@H+]1CCn2c(COC)cnc2[C@H]1C ZINC001201762764 811963822 /nfs/dbraw/zinc/96/38/22/811963822.db2.gz TZHQEYRXECYUAE-CQSZACIVSA-N 1 1 279.428 3.377 20 30 CGEDMO CCCCCCC[N@@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001201788075 811965294 /nfs/dbraw/zinc/96/52/94/811965294.db2.gz WEPJFYCDESEVOO-MRXNPFEDSA-N 1 1 262.397 3.425 20 30 CGEDMO CCCCCCC[N@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001201788075 811965301 /nfs/dbraw/zinc/96/53/01/811965301.db2.gz WEPJFYCDESEVOO-MRXNPFEDSA-N 1 1 262.397 3.425 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H](NC(=O)N2CCCC2)C1 ZINC001201797967 811966787 /nfs/dbraw/zinc/96/67/87/811966787.db2.gz JKDBDRWEEXEVCE-MRXNPFEDSA-N 1 1 295.471 3.227 20 30 CGEDMO CCCCCCCC[N@H+]1CCC[C@@]2(CCCC(=O)N2)C1 ZINC001201814197 811967256 /nfs/dbraw/zinc/96/72/56/811967256.db2.gz MUDOAAKOOLZPGF-KRWDZBQOSA-N 1 1 280.456 3.482 20 30 CGEDMO CCCCCCCCCC[N@H+]1CCCO[C@@H](C(=O)OC)C1 ZINC001201875401 811973818 /nfs/dbraw/zinc/97/38/18/811973818.db2.gz YGWJHYPJZLZDNT-MRXNPFEDSA-N 1 1 299.455 3.391 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](CC1CCC1)[C@H]2CC ZINC001202721679 812159063 /nfs/dbraw/zinc/15/90/63/812159063.db2.gz HWENYBDKLMXLJK-WMZOPIPTSA-N 1 1 290.451 3.208 20 30 CGEDMO COc1cc[nH+]c(NC=Cc2ccc(C#N)cc2)c1 ZINC001203298065 812299726 /nfs/dbraw/zinc/29/97/26/812299726.db2.gz GEEUVSHBLDGZJZ-SOFGYWHQSA-N 1 1 251.289 3.045 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2C2CCCCC2)cc1 ZINC001203906691 812488448 /nfs/dbraw/zinc/48/84/48/812488448.db2.gz UHEUXBIZAWUCPL-GOSISDBHSA-N 1 1 284.403 3.339 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@H+](Cc1cccs1)CC2 ZINC001204014037 812519058 /nfs/dbraw/zinc/51/90/58/812519058.db2.gz DXKKVRXXXGYIKJ-UHFFFAOYSA-N 1 1 254.358 3.178 20 30 CGEDMO N#Cc1ccc2c(c1)CC[N@H+](Cc1cccs1)C2 ZINC001204013920 812519448 /nfs/dbraw/zinc/51/94/48/812519448.db2.gz AMJDTRMLYTZICK-UHFFFAOYSA-N 1 1 254.358 3.178 20 30 CGEDMO Cn1c[nH+]c2cccc(Nc3ccc(C#N)c(F)c3)c21 ZINC001204075983 812542143 /nfs/dbraw/zinc/54/21/43/812542143.db2.gz ATCJSEVNFSIBOO-UHFFFAOYSA-N 1 1 266.279 3.328 20 30 CGEDMO N#Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2ccoc2)C1 ZINC001204243633 812584311 /nfs/dbraw/zinc/58/43/11/812584311.db2.gz BQRVYQWOFFYIBC-INIZCTEOSA-N 1 1 282.343 3.195 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1ccc(OC(F)F)cc1 ZINC001204421618 812634508 /nfs/dbraw/zinc/63/45/08/812634508.db2.gz ALTJNZJYQQGLRW-UHFFFAOYSA-N 1 1 268.307 3.414 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1ccc(OC(F)F)cc1 ZINC001204421618 812634510 /nfs/dbraw/zinc/63/45/10/812634510.db2.gz ALTJNZJYQQGLRW-UHFFFAOYSA-N 1 1 268.307 3.414 20 30 CGEDMO C#CC1CC[NH+](Cc2cc(Br)ccc2F)CC1 ZINC001204499246 812657154 /nfs/dbraw/zinc/65/71/54/812657154.db2.gz ZAJSSRIVYOEVIC-UHFFFAOYSA-N 1 1 296.183 3.433 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)ccc1F ZINC001205459204 812986366 /nfs/dbraw/zinc/98/63/66/812986366.db2.gz HILQBVJVDZNPPP-KGLIPLIRSA-N 1 1 258.340 3.319 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2ccc3[nH]ccc3c2)CC1 ZINC001205599173 813017189 /nfs/dbraw/zinc/01/71/89/813017189.db2.gz NAVWSZPCWJOFTI-ZDUSSCGKSA-N 1 1 253.349 3.294 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2[nH]ccc2c1 ZINC001205600105 813017424 /nfs/dbraw/zinc/01/74/24/813017424.db2.gz XXTPACMBZIUXCZ-MKZZRHPPSA-N 1 1 265.360 3.434 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OCCCC#N ZINC001205648913 813040984 /nfs/dbraw/zinc/04/09/84/813040984.db2.gz QAGCXOZPJSESOH-WBVHZDCISA-N 1 1 272.392 3.217 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc[nH]2)C1 ZINC001205958602 813146177 /nfs/dbraw/zinc/14/61/77/813146177.db2.gz BEYRKNXWYXFHGX-GDBMZVCRSA-N 1 1 291.439 3.035 20 30 CGEDMO CCCCCCCC[N@@H+](C)Cc1cnc(OC)nc1 ZINC001206401029 813313571 /nfs/dbraw/zinc/31/35/71/813313571.db2.gz SNTQSSFGFKUVSW-UHFFFAOYSA-N 1 1 265.401 3.278 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)/C=C/C(C)(C)C)C1 ZINC001206651190 813390009 /nfs/dbraw/zinc/39/00/09/813390009.db2.gz KXIXHTJQRPXCBY-WSBBEFFKSA-N 1 1 292.467 3.380 20 30 CGEDMO C=CC[N@H+](Cc1cncc(OC)c1)C1CCCCC1 ZINC001206998602 813464085 /nfs/dbraw/zinc/46/40/85/813464085.db2.gz TXAYADFXTCITLE-UHFFFAOYSA-N 1 1 260.381 3.411 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C ZINC001207146069 813497625 /nfs/dbraw/zinc/49/76/25/813497625.db2.gz SOBKSLDFPFSLAQ-BXUZGUMPSA-N 1 1 298.858 3.002 20 30 CGEDMO C=CCN(CC[N@@H+]1CCC[C@@H](C)C1)C(=O)OC(C)(C)C ZINC001207199782 813515908 /nfs/dbraw/zinc/51/59/08/813515908.db2.gz STAQDEXZTJXNGS-CQSZACIVSA-N 1 1 282.428 3.141 20 30 CGEDMO N#C[C@@H]1CCCN(CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207292772 813537157 /nfs/dbraw/zinc/53/71/57/813537157.db2.gz ZJOVHHCFOUPPNV-IBGZPJMESA-N 1 1 297.446 3.134 20 30 CGEDMO C=C(C)C[C@@H]([NH2+][C@H](C)CC1CCC1)C(=O)OCC ZINC001207334193 813543490 /nfs/dbraw/zinc/54/34/90/813543490.db2.gz MOORNZRWEDDUST-TZMCWYRMSA-N 1 1 253.386 3.053 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@H+](C[C@H]1C[C@H]3C=C[C@@H]1C3)CC2 ZINC001207616420 813617146 /nfs/dbraw/zinc/61/71/46/813617146.db2.gz YTZMCMGUMJRVBK-FDQGKXFDSA-N 1 1 264.372 3.129 20 30 CGEDMO N#CCC[N@@H+](C[C@@H]1CCCO1)C1CCCCCCC1 ZINC001207851654 813661063 /nfs/dbraw/zinc/66/10/63/813661063.db2.gz ADJAJBLCGMVMIC-INIZCTEOSA-N 1 1 264.413 3.494 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CCC2(C1)OCCO2 ZINC001208118453 813696338 /nfs/dbraw/zinc/69/63/38/813696338.db2.gz HUBUJSKEWGWNOP-CMDGGOBGSA-N 1 1 267.413 3.352 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@](C)(O)[C@@H](F)C2)CC1 ZINC001208170528 813724420 /nfs/dbraw/zinc/72/44/20/813724420.db2.gz HYSSUHSLXWTLSB-OWCLPIDISA-N 1 1 267.388 3.084 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](F)C(C)C)C1 ZINC001208360562 813756222 /nfs/dbraw/zinc/75/62/22/813756222.db2.gz RVCMAQHXLOZBJO-OAGGEKHMSA-N 1 1 298.446 3.163 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C ZINC001208393553 813759490 /nfs/dbraw/zinc/75/94/90/813759490.db2.gz SCIXZDHGKSCRCW-OWCLPIDISA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1C ZINC001208458269 813762117 /nfs/dbraw/zinc/76/21/17/813762117.db2.gz AXZPMVPGDOZMLX-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001208530408 813764710 /nfs/dbraw/zinc/76/47/10/813764710.db2.gz UJACNLFQUARDEE-OWCLPIDISA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(CC=C)CCC2)C1 ZINC001208517516 813765195 /nfs/dbraw/zinc/76/51/95/813765195.db2.gz LVVSFGIUOWXKCM-HZPDHXFCSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CC/C=C/CC)C[C@H]2C)C1 ZINC001208544808 813766470 /nfs/dbraw/zinc/76/64/70/813766470.db2.gz VTFKZSUZEIBYCW-YCZSJOHXSA-N 1 1 290.451 3.136 20 30 CGEDMO C[C@]1(C#N)CCN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001208592404 813769907 /nfs/dbraw/zinc/76/99/07/813769907.db2.gz VIKMYWRPIRWDJH-RTBURBONSA-N 1 1 297.446 3.277 20 30 CGEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](CCC1CCCC1)C2 ZINC001208694878 813800341 /nfs/dbraw/zinc/80/03/41/813800341.db2.gz CVAYBBFREHKUOK-ROUUACIJSA-N 1 1 293.451 3.393 20 30 CGEDMO N#Cc1cccc(CCC[N@H+]2CC[C@H](c3ccccn3)C2)c1 ZINC001208853708 813866859 /nfs/dbraw/zinc/86/68/59/813866859.db2.gz SVSMJYUIBWAVTB-SFHVURJKSA-N 1 1 291.398 3.375 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCc2cccc(C#N)c2)C2(CC2)C1 ZINC001208854061 813867073 /nfs/dbraw/zinc/86/70/73/813867073.db2.gz IKLRIUQBZZCACX-AWEZNQCLSA-N 1 1 254.377 3.365 20 30 CGEDMO C[N@@H+](CCCc1cccc(C#N)c1)Cc1cccc(C#N)c1 ZINC001208853950 813867745 /nfs/dbraw/zinc/86/77/45/813867745.db2.gz CYEAURPNHKKQJU-UHFFFAOYSA-N 1 1 289.382 3.495 20 30 CGEDMO C[N@@H+]1CC=C(Nc2cc(C(F)(F)F)ccc2C#N)CC1 ZINC001208856591 813869291 /nfs/dbraw/zinc/86/92/91/813869291.db2.gz GYOKNRXJNDSLDQ-UHFFFAOYSA-N 1 1 281.281 3.208 20 30 CGEDMO Cc1ccc(C[N@@H+](C)CCCc2ccc(C#N)cc2)cn1 ZINC001208864912 813873774 /nfs/dbraw/zinc/87/37/74/813873774.db2.gz YTYTXWZCCPPBMQ-UHFFFAOYSA-N 1 1 279.387 3.326 20 30 CGEDMO C[C@H]1CC[N@@H+](CCc2ccc(C#N)cc2)CCC1(F)F ZINC001208920931 813902281 /nfs/dbraw/zinc/90/22/81/813902281.db2.gz UFGRRPMXVDTTGJ-ZDUSSCGKSA-N 1 1 278.346 3.468 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C ZINC001208932654 813903291 /nfs/dbraw/zinc/90/32/91/813903291.db2.gz HIPOMXTZSRUTNE-HUUCEWRRSA-N 1 1 280.456 3.071 20 30 CGEDMO N#C[C@@H]1CCCN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208939161 813903030 /nfs/dbraw/zinc/90/30/30/813903030.db2.gz GYGCFGAJPPUSFI-OALUTQOASA-N 1 1 297.446 3.134 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)CC2CCCCC2)C1 ZINC001209107439 813934100 /nfs/dbraw/zinc/93/41/00/813934100.db2.gz SGMACCFOUMGUKE-BFYDXBDKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CCN(Cc2ccc(F)cc2)C[C@H]1C ZINC001209157668 813950149 /nfs/dbraw/zinc/95/01/49/813950149.db2.gz ZQYPPRCOQXPZRI-OAHLLOKOSA-N 1 1 276.399 3.298 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](C)N(C(=O)OC(C)(C)C)CC1 ZINC001209157356 813950464 /nfs/dbraw/zinc/95/04/64/813950464.db2.gz UVZUWOFWGYPZES-AWEZNQCLSA-N 1 1 282.428 3.284 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)OC(C)(C)C)CC[C@@H]1C ZINC001209160233 813952157 /nfs/dbraw/zinc/95/21/57/813952157.db2.gz KXEVKMZKPIAIPQ-KBPBESRZSA-N 1 1 282.428 3.330 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001209161780 813953476 /nfs/dbraw/zinc/95/34/76/813953476.db2.gz DLQDKDPIBMCIHZ-MRXNPFEDSA-N 1 1 270.376 3.368 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H]1C(=O)Nc1ccccc1 ZINC001209163280 813953765 /nfs/dbraw/zinc/95/37/65/813953765.db2.gz BJXSASOPKYMKAN-HNNXBMFYSA-N 1 1 258.365 3.056 20 30 CGEDMO C=CCCCC[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001209200955 813964608 /nfs/dbraw/zinc/96/46/08/813964608.db2.gz QSRLFQYLGJWLNN-CABCVRRESA-N 1 1 294.439 3.284 20 30 CGEDMO C=CCCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC001209201202 813964924 /nfs/dbraw/zinc/96/49/24/813964924.db2.gz MHDFOBRCCPEALO-QGZVFWFLSA-N 1 1 258.409 3.331 20 30 CGEDMO COc1cc(C#N)ccc1Nc1cc(C)cc(C)[nH+]1 ZINC001209235187 813978278 /nfs/dbraw/zinc/97/82/78/813978278.db2.gz VZXGCZFZNMKJEC-UHFFFAOYSA-N 1 1 253.305 3.322 20 30 CGEDMO C#CCCC[N@H+](C)C1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001209268277 813989149 /nfs/dbraw/zinc/98/91/49/813989149.db2.gz XNEBYDZJIYRSLG-UHFFFAOYSA-N 1 1 294.439 3.121 20 30 CGEDMO C#CCCC[N@@H+]1CC[C@H](Sc2ccc(F)cc2)C1 ZINC001209268354 813990199 /nfs/dbraw/zinc/99/01/99/813990199.db2.gz ZZXUJKNNBJSOBS-HNNXBMFYSA-N 1 1 263.381 3.406 20 30 CGEDMO C=CCCCCC[N@@H+]1Cc2ccnn2C[C@@H](COCC)C1 ZINC001209424843 814025944 /nfs/dbraw/zinc/02/59/44/814025944.db2.gz WFWGGWUXVDLRFP-INIZCTEOSA-N 1 1 291.439 3.098 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@H]2[C@H](CCN2C(=O)C(C)C)C1 ZINC001209425008 814026068 /nfs/dbraw/zinc/02/60/68/814026068.db2.gz YMQAXJMXWBFYFX-SJORKVTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H](C(=O)OC)CC[C@H]1C ZINC001209427390 814027602 /nfs/dbraw/zinc/02/76/02/814027602.db2.gz PNBPPKCQUFQDJJ-KGLIPLIRSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CCCCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC001209427056 814028499 /nfs/dbraw/zinc/02/84/99/814028499.db2.gz DZAZROCOPLVIBQ-MRXNPFEDSA-N 1 1 278.440 3.210 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@]2(C1)CC(F)(F)CO2 ZINC001209428506 814029335 /nfs/dbraw/zinc/02/93/35/814029335.db2.gz INNRCVKRXRKWOQ-CYBMUJFWSA-N 1 1 259.340 3.233 20 30 CGEDMO C=CCCCCCC[N@@H+]1CC[C@@H]2[C@H](CCC(=O)N2C)C1 ZINC001209438602 814039491 /nfs/dbraw/zinc/03/94/91/814039491.db2.gz PAIAWPKJBVTNPS-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CC[C@H](C(=O)OC)C1 ZINC001209443488 814044114 /nfs/dbraw/zinc/04/41/14/814044114.db2.gz TYPVTGLLXFCMEK-HNNXBMFYSA-N 1 1 267.413 3.398 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CCCC[C@H]1C(N)=O ZINC001209444675 814045481 /nfs/dbraw/zinc/04/54/81/814045481.db2.gz XODYGHXFHAZDFW-HNNXBMFYSA-N 1 1 266.429 3.243 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCCC(C)C)C1 ZINC001209625570 814099978 /nfs/dbraw/zinc/09/99/78/814099978.db2.gz DSFLROFVXNLUKD-HZPDHXFCSA-N 1 1 280.456 3.215 20 30 CGEDMO N#CCC[N@H+](Cc1ccc(N2CCCC2)nc1)C1CCCC1 ZINC001209622831 814100224 /nfs/dbraw/zinc/10/02/24/814100224.db2.gz LSOMLYLKWIHQIA-UHFFFAOYSA-N 1 1 298.434 3.340 20 30 CGEDMO N#CCC[N@@H+](Cc1ccc(N2CCCC2)nc1)C1CCCC1 ZINC001209622831 814100229 /nfs/dbraw/zinc/10/02/29/814100229.db2.gz LSOMLYLKWIHQIA-UHFFFAOYSA-N 1 1 298.434 3.340 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CCCCCC)C1 ZINC001209656129 814107771 /nfs/dbraw/zinc/10/77/71/814107771.db2.gz ASMXKNXMEWKWEO-ARFHVFGLSA-N 1 1 280.456 3.215 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC001209762875 814133262 /nfs/dbraw/zinc/13/32/62/814133262.db2.gz FQSSUXBWDIJUIQ-AWEZNQCLSA-N 1 1 280.375 3.202 20 30 CGEDMO COc1cc(C#N)ccc1Nc1ccc2[nH]c[nH+]c2c1 ZINC001209846529 814164601 /nfs/dbraw/zinc/16/46/01/814164601.db2.gz DNNYPCRVDPXSDA-UHFFFAOYSA-N 1 1 264.288 3.187 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001210245082 814362544 /nfs/dbraw/zinc/36/25/44/814362544.db2.gz XYAQEKVRJUNYAW-RBSFLKMASA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CCNC[C@@H](F)C1 ZINC001210580517 814541004 /nfs/dbraw/zinc/54/10/04/814541004.db2.gz JSGOLFCFTBUHFE-OAHLLOKOSA-N 1 1 256.409 3.146 20 30 CGEDMO C=CCCCCCCCCC[N@H+]1CCNC[C@@H]1COC ZINC001210519169 814505506 /nfs/dbraw/zinc/50/55/06/814505506.db2.gz MUCDVTGOGANQII-QGZVFWFLSA-N 1 1 282.472 3.213 20 30 CGEDMO C=CCCCCCCCCC[N@@H+]1CCNC[C@@H]1COC ZINC001210519169 814505510 /nfs/dbraw/zinc/50/55/10/814505510.db2.gz MUCDVTGOGANQII-QGZVFWFLSA-N 1 1 282.472 3.213 20 30 CGEDMO C=CCCCCCCCC[N@H+]1CCNC[C@@H](F)C1 ZINC001210580517 814541000 /nfs/dbraw/zinc/54/10/00/814541000.db2.gz JSGOLFCFTBUHFE-OAHLLOKOSA-N 1 1 256.409 3.146 20 30 CGEDMO CC#Cc1cncc(Nc2cccn3c(C)c(C)[nH+]c23)c1 ZINC001211056659 814725354 /nfs/dbraw/zinc/72/53/54/814725354.db2.gz SEHDUZZLBRJEHP-UHFFFAOYSA-N 1 1 276.343 3.461 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nnc(-c2ccc(OC(C)C)cc2)o1 ZINC001217758007 815955397 /nfs/dbraw/zinc/95/53/97/815955397.db2.gz VKCDTJMDLWVIFN-HNNXBMFYSA-N 1 1 299.374 3.327 20 30 CGEDMO C=C[C@H](CCCCCC)OCCCC[C@@H]([NH3+])C(=O)OC ZINC001217896833 815996443 /nfs/dbraw/zinc/99/64/43/815996443.db2.gz TVJVRNLMOPGZDT-HUUCEWRRSA-N 1 1 285.428 3.199 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C(CC)CC)[C@@H]2C1 ZINC001221282830 816310168 /nfs/dbraw/zinc/31/01/68/816310168.db2.gz LOCCQPMDPGKZGM-USXIJHARSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C(F)=C(C)C)[C@@H]2C1 ZINC001221477212 816317642 /nfs/dbraw/zinc/31/76/42/816317642.db2.gz ONEPUJPQKNOOSE-RBSFLKMASA-N 1 1 294.414 3.137 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC3(C)CC3)[C@@H]2C1 ZINC001221695611 816324059 /nfs/dbraw/zinc/32/40/59/816324059.db2.gz CJBAVODRORPJCK-BZUAXINKSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)C3CCCC3)C[C@@H]21 ZINC001222165850 816368293 /nfs/dbraw/zinc/36/82/93/816368293.db2.gz TXRFIVCFWOGXCC-WBVHZDCISA-N 1 1 290.451 3.066 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CC[C@@H](OCC2CCCC2)C1 ZINC001222708637 816505537 /nfs/dbraw/zinc/50/55/37/816505537.db2.gz PMERSPXDKQRUNP-GOSISDBHSA-N 1 1 284.403 3.339 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CC[C@@H](OCC2CCCC2)C1 ZINC001222708637 816505541 /nfs/dbraw/zinc/50/55/41/816505541.db2.gz PMERSPXDKQRUNP-GOSISDBHSA-N 1 1 284.403 3.339 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@](C)(F)CCCC)C[C@@H]21 ZINC001223012462 816552178 /nfs/dbraw/zinc/55/21/78/816552178.db2.gz CZMOIBCHAHTADJ-VYDXJSESSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](CC(C)C)[C@H]2C1 ZINC001223580092 816653101 /nfs/dbraw/zinc/65/31/01/816653101.db2.gz LIUFMMWEQHCLRX-CVEARBPZSA-N 1 1 292.467 3.168 20 30 CGEDMO CC(C)[N@@H+]1CCC[C@@H](O/C(=N\O)c2ccc(Cl)cc2)C1 ZINC001223594224 816655597 /nfs/dbraw/zinc/65/55/97/816655597.db2.gz VBQSVONOYJUAHW-XEVXXXDWSA-N 1 1 296.798 3.365 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H](O/C(=N\O)c2ccc(Cl)cc2)C1 ZINC001223594224 816655601 /nfs/dbraw/zinc/65/56/01/816655601.db2.gz VBQSVONOYJUAHW-XEVXXXDWSA-N 1 1 296.798 3.365 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CC(CC)CC)C[C@@H]21 ZINC001223770697 816679800 /nfs/dbraw/zinc/67/98/00/816679800.db2.gz XMLDHMQCTQQQDZ-SJORKVTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCC3(C)CC3)C[C@@H]21 ZINC001223829829 816691656 /nfs/dbraw/zinc/69/16/56/816691656.db2.gz VGVXOKQOCADROP-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C[N@H+]1CC[C@@H](O/C(=N/c2ccccc2)c2ccccc2)C1 ZINC001224088811 816732094 /nfs/dbraw/zinc/73/20/94/816732094.db2.gz ZCABEVCVQRAGTL-WQYLVOBCSA-N 1 1 280.371 3.486 20 30 CGEDMO C=CCCCO[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001224511744 816818436 /nfs/dbraw/zinc/81/84/36/816818436.db2.gz QVZIJAFUKYNWRV-WMZOPIPTSA-N 1 1 289.419 3.259 20 30 CGEDMO C=CCCCO[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001224511744 816818441 /nfs/dbraw/zinc/81/84/41/816818441.db2.gz QVZIJAFUKYNWRV-WMZOPIPTSA-N 1 1 289.419 3.259 20 30 CGEDMO CC(C)=CCC/C(C)=C/CO[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001224614612 816832569 /nfs/dbraw/zinc/83/25/69/816832569.db2.gz DYLJCEXMYMOGEO-WNMBHTCKSA-N 1 1 291.435 3.308 20 30 CGEDMO CC(C)=CCC/C(C)=C/CO[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001224614612 816832575 /nfs/dbraw/zinc/83/25/75/816832575.db2.gz DYLJCEXMYMOGEO-WNMBHTCKSA-N 1 1 291.435 3.308 20 30 CGEDMO N#CC1CC(OC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001224827206 816891152 /nfs/dbraw/zinc/89/11/52/816891152.db2.gz TUWFZZNFTHNMMU-WWDZGPRUSA-N 1 1 284.403 3.217 20 30 CGEDMO C[C@@H](c1ccccn1)[N@H+]1CCC[C@@H](OCC#CC2CC2)C1 ZINC001224849314 816892966 /nfs/dbraw/zinc/89/29/66/816892966.db2.gz BJXJLPKAQDSHPG-DOTOQJQBSA-N 1 1 284.403 3.037 20 30 CGEDMO Clc1ccccc1C[N@H+]1CC[C@@H](OCC#CC2CC2)C1 ZINC001224850856 816894368 /nfs/dbraw/zinc/89/43/68/816894368.db2.gz SDUVGFDHLWWJLZ-MRXNPFEDSA-N 1 1 289.806 3.344 20 30 CGEDMO C=CC[C@H](C=C)OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001224961040 816919032 /nfs/dbraw/zinc/91/90/32/816919032.db2.gz KEPJBNAKTWBTSO-ROUUACIJSA-N 1 1 287.403 3.035 20 30 CGEDMO C=CC[C@H](C=C)OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001224961040 816919043 /nfs/dbraw/zinc/91/90/43/816919043.db2.gz KEPJBNAKTWBTSO-ROUUACIJSA-N 1 1 287.403 3.035 20 30 CGEDMO C[C@H](CC(C)(C)S)Oc1cccnc1C[NH+](C)C ZINC001225281446 816993745 /nfs/dbraw/zinc/99/37/45/816993745.db2.gz DDBGNMGSZCFDMK-LLVKDONJSA-N 1 1 268.426 3.009 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](Oc2ccc(C#N)cc2Cl)C1 ZINC001225727360 817158916 /nfs/dbraw/zinc/15/89/16/817158916.db2.gz OYGIDTVNSGRKQW-GFCCVEGCSA-N 1 1 264.756 3.073 20 30 CGEDMO CC[N@H+]1CCC[C@@H](Oc2nc3ccccc3c(C)c2C#N)C1 ZINC001226444885 817358353 /nfs/dbraw/zinc/35/83/53/817358353.db2.gz PJPPMMYMCBDOMT-CQSZACIVSA-N 1 1 295.386 3.278 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](Oc2nc(C(C)(C)C)ccc2C#N)C1 ZINC001226550948 817394782 /nfs/dbraw/zinc/39/47/82/817394782.db2.gz WOXCQGPDLOUYSX-CQSZACIVSA-N 1 1 287.407 3.112 20 30 CGEDMO Cc1cc(O[C@H]2CCC[N@H+](C)CC2)c(C)cc1C#N ZINC001228147551 817823673 /nfs/dbraw/zinc/82/36/73/817823673.db2.gz OSPJAYAATOMAFL-HNNXBMFYSA-N 1 1 258.365 3.038 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)CC(C)=C(C)C)CC1 ZINC001228670233 817968291 /nfs/dbraw/zinc/96/82/91/817968291.db2.gz NPTOYTUHRUBNOM-UHFFFAOYSA-N 1 1 284.831 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H](C)CCC ZINC001231129191 818038637 /nfs/dbraw/zinc/03/86/37/818038637.db2.gz AKRZCGRVRPBQBA-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)/C=C/c1ccco1 ZINC001231301688 818072380 /nfs/dbraw/zinc/07/23/80/818072380.db2.gz ZSYDDCLNRAHUAV-AUECHBEKSA-N 1 1 290.407 3.086 20 30 CGEDMO C=CC[N@@H+](C)Cc1c(C(F)(F)F)nc2sccn12 ZINC001231440828 818100892 /nfs/dbraw/zinc/10/08/92/818100892.db2.gz XWYYBQPTLPOJRA-UHFFFAOYSA-N 1 1 275.299 3.032 20 30 CGEDMO C=CC[N@H+](C)Cc1c(C(F)(F)F)nc2sccn12 ZINC001231440828 818100895 /nfs/dbraw/zinc/10/08/95/818100895.db2.gz XWYYBQPTLPOJRA-UHFFFAOYSA-N 1 1 275.299 3.032 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001231616871 818137602 /nfs/dbraw/zinc/13/76/02/818137602.db2.gz MIVZRPVDVZRNNU-OKILXGFUSA-N 1 1 292.329 3.044 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001231617195 818138889 /nfs/dbraw/zinc/13/88/89/818138889.db2.gz PCGGJNJQLHVZLT-LSDHHAIUSA-N 1 1 270.376 3.189 20 30 CGEDMO C#Cc1cccc(C[N@H+](C)Cc2ccc3c(c2)OCO3)c1 ZINC001231663856 818153216 /nfs/dbraw/zinc/15/32/16/818153216.db2.gz SYYPSIWFDGYVHH-UHFFFAOYSA-N 1 1 279.339 3.029 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C2(CC2)C1 ZINC001231821300 818184812 /nfs/dbraw/zinc/18/48/12/818184812.db2.gz ZTJSXXRXNYSPMJ-OAHLLOKOSA-N 1 1 283.419 3.411 20 30 CGEDMO Cc1cc(C)c(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(O)c1 ZINC001231845645 818187907 /nfs/dbraw/zinc/18/79/07/818187907.db2.gz FAFDPXMXWAXHSX-QKDCVEJESA-N 1 1 270.376 3.276 20 30 CGEDMO COc1cccc2c(C[N@H+]3CCC[C@H](C#N)CC3)c[nH]c21 ZINC001231900028 818207481 /nfs/dbraw/zinc/20/74/81/818207481.db2.gz BYSBBWZODZHHQJ-ZDUSSCGKSA-N 1 1 283.375 3.302 20 30 CGEDMO Cc1cc(C[N@@H+]2CCc3ccc(C#N)cc3C2)cc(C)n1 ZINC001231998597 818227442 /nfs/dbraw/zinc/22/74/42/818227442.db2.gz YTICOGDDGNSKHG-UHFFFAOYSA-N 1 1 277.371 3.128 20 30 CGEDMO Cc1cc(C[N@H+]2CCc3ccc(C#N)cc3C2)cc(C)n1 ZINC001231998597 818227449 /nfs/dbraw/zinc/22/74/49/818227449.db2.gz YTICOGDDGNSKHG-UHFFFAOYSA-N 1 1 277.371 3.128 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@]3(CCOC3)C2)cc1Cl ZINC001232111668 818258054 /nfs/dbraw/zinc/25/80/54/818258054.db2.gz FTKPUTRPFNRTST-MRXNPFEDSA-N 1 1 290.794 3.214 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccc(C#N)c(Cl)c2)CC[C@]1(C)O ZINC001232112424 818258461 /nfs/dbraw/zinc/25/84/61/818258461.db2.gz WAAUVVDAGHUHDU-LRDDRELGSA-N 1 1 292.810 3.195 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)cc1Cl ZINC001232115870 818260417 /nfs/dbraw/zinc/26/04/17/818260417.db2.gz CNPOMWKJYJUAKJ-OBJOEFQTSA-N 1 1 264.731 3.144 20 30 CGEDMO C[N@H+](Cc1ccc(Cl)cc1)Cc1cc(C#N)ccn1 ZINC001232480784 818364861 /nfs/dbraw/zinc/36/48/61/818364861.db2.gz KLJIKGNMANYPCU-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO C[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(C#N)ccn1 ZINC001232480784 818364865 /nfs/dbraw/zinc/36/48/65/818364865.db2.gz KLJIKGNMANYPCU-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO CNc1ccccc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001232671923 818414830 /nfs/dbraw/zinc/41/48/30/818414830.db2.gz TXASFUBVVSGDAC-UHFFFAOYSA-N 1 1 265.360 3.232 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCOC[C@@H]2C2CCCCC2)s1 ZINC001232845481 818455072 /nfs/dbraw/zinc/45/50/72/818455072.db2.gz ZIMWEAOILTWUCR-MRXNPFEDSA-N 1 1 290.432 3.401 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCOC[C@@H]2C2CCCCC2)s1 ZINC001232845481 818455075 /nfs/dbraw/zinc/45/50/75/818455075.db2.gz ZIMWEAOILTWUCR-MRXNPFEDSA-N 1 1 290.432 3.401 20 30 CGEDMO CC1(c2ccccc2)CC[NH+](Cc2[nH]ccc2C#N)CC1 ZINC001233048931 818510675 /nfs/dbraw/zinc/51/06/75/818510675.db2.gz RSXTZCPLPIHSMF-UHFFFAOYSA-N 1 1 279.387 3.440 20 30 CGEDMO CN(C)c1ccc(C[N@H+]2CCC23CCCC3)c(F)c1C#N ZINC001233099571 818521643 /nfs/dbraw/zinc/52/16/43/818521643.db2.gz TXMPLRHEXFSBTQ-UHFFFAOYSA-N 1 1 287.382 3.282 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccc(O)c2[nH]c(=O)ccc12 ZINC001233295407 818572779 /nfs/dbraw/zinc/57/27/79/818572779.db2.gz ZMQBALADQKPRGF-UHFFFAOYSA-N 1 1 286.375 3.434 20 30 CGEDMO Cc1cccc2c1CC[N@H+](Cc1ccc(C#N)cc1O)C2 ZINC001233383359 818604444 /nfs/dbraw/zinc/60/44/44/818604444.db2.gz FKDALFXMUZWPIC-UHFFFAOYSA-N 1 1 278.355 3.131 20 30 CGEDMO Cc1cccc2c1CC[N@@H+](Cc1ccc(C#N)cc1O)C2 ZINC001233383359 818604448 /nfs/dbraw/zinc/60/44/48/818604448.db2.gz FKDALFXMUZWPIC-UHFFFAOYSA-N 1 1 278.355 3.131 20 30 CGEDMO Cc1cccc(C[N@@H+](C)Cc2ccc(C#N)cc2O)c1 ZINC001233383342 818604656 /nfs/dbraw/zinc/60/46/56/818604656.db2.gz DXABMKFBBSVSGF-UHFFFAOYSA-N 1 1 266.344 3.204 20 30 CGEDMO Cc1cccc(C[N@H+](C)Cc2ccc(C#N)cc2O)c1 ZINC001233383342 818604660 /nfs/dbraw/zinc/60/46/60/818604660.db2.gz DXABMKFBBSVSGF-UHFFFAOYSA-N 1 1 266.344 3.204 20 30 CGEDMO N#Cc1ccc(C[NH+]2CCC3(CCC3)CC2)c(O)c1 ZINC001233384066 818607296 /nfs/dbraw/zinc/60/72/96/818607296.db2.gz FWDBIQSQBCFTJO-UHFFFAOYSA-N 1 1 256.349 3.030 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)c1cccc(C)c1 ZINC001233526642 818633999 /nfs/dbraw/zinc/63/39/99/818633999.db2.gz GWVOLLNFBHYYCV-INIZCTEOSA-N 1 1 288.435 3.401 20 30 CGEDMO C=CCc1ccc(O[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC001233597440 818654875 /nfs/dbraw/zinc/65/48/75/818654875.db2.gz MMZYOBLLMFASNX-OAHLLOKOSA-N 1 1 254.333 3.005 20 30 CGEDMO C#CCCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(CC)CC ZINC001233771973 818701603 /nfs/dbraw/zinc/70/16/03/818701603.db2.gz VVXHVUZYTWGXPM-KRWDZBQOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)[C@H]1CC=CCC1 ZINC001233834838 818715200 /nfs/dbraw/zinc/71/52/00/818715200.db2.gz DDGZILKMSWJRPC-CVEARBPZSA-N 1 1 278.440 3.136 20 30 CGEDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ccc(Cl)c(C#N)c1 ZINC001233924337 818731795 /nfs/dbraw/zinc/73/17/95/818731795.db2.gz OUUMQMFTGUHFGN-ATCWAGBWSA-N 1 1 290.794 3.321 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC1(C)CCCC1 ZINC001234089639 818775514 /nfs/dbraw/zinc/77/55/14/818775514.db2.gz VDSKYOJYAFPFLT-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC(CC=C)C(=O)N(C)C[C@H]1CC[N@H+]1CC1CCC1 ZINC001234508822 818869577 /nfs/dbraw/zinc/86/95/77/818869577.db2.gz CODMLNLIRVOVNU-QGZVFWFLSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCC1 ZINC001234555361 818881232 /nfs/dbraw/zinc/88/12/32/818881232.db2.gz TYOMNMOHYJGHIS-AWEZNQCLSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1CC1=CCCCC1 ZINC001234604597 818889688 /nfs/dbraw/zinc/88/96/88/818889688.db2.gz RKECGLQJCYQIDL-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1CCCC(C)C ZINC001234612852 818892514 /nfs/dbraw/zinc/89/25/14/818892514.db2.gz CAUGTQJDQDWEMJ-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001234626016 818896449 /nfs/dbraw/zinc/89/64/49/818896449.db2.gz PJWRNPGPQITZEN-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)CCCNC(=O)/C(C)=C/CC ZINC001234946415 818960743 /nfs/dbraw/zinc/96/07/43/818960743.db2.gz XCWCAGQYAUIQMK-YVGNARHYSA-N 1 1 266.429 3.136 20 30 CGEDMO CCCCCCCCCCCN1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001235052432 818991470 /nfs/dbraw/zinc/99/14/70/818991470.db2.gz FMSNONBOVUZORX-GOSISDBHSA-N 1 1 295.515 3.155 20 30 CGEDMO C=CCCCCCCCN1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC001235240985 819045166 /nfs/dbraw/zinc/04/51/66/819045166.db2.gz OUBBTDBWEVDNCR-HZPDHXFCSA-N 1 1 250.430 3.326 20 30 CGEDMO C=CCCCCCCC[N@H+]1C[C@H]2CCC[C@@]2(N)C1 ZINC001235240985 819045170 /nfs/dbraw/zinc/04/51/70/819045170.db2.gz OUBBTDBWEVDNCR-HZPDHXFCSA-N 1 1 250.430 3.326 20 30 CGEDMO C=CCCCCCCC[N@@H+]1C[C@H]2CCC[C@@]2(N)C1 ZINC001235240985 819045173 /nfs/dbraw/zinc/04/51/73/819045173.db2.gz OUBBTDBWEVDNCR-HZPDHXFCSA-N 1 1 250.430 3.326 20 30 CGEDMO CCOc1cc(O)cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1 ZINC001235403779 819086514 /nfs/dbraw/zinc/08/65/14/819086514.db2.gz CKHWQFMZIDUKSC-XMQYKBBCSA-N 1 1 286.375 3.057 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)C1CCCC1 ZINC001235437384 819100411 /nfs/dbraw/zinc/10/04/11/819100411.db2.gz FWSQSPWBUZNVSF-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCCCCCN1CCCC2(C[NH2+]C2)C1 ZINC001235711193 819148530 /nfs/dbraw/zinc/14/85/30/819148530.db2.gz LOSDVDBJJXXASH-UHFFFAOYSA-N 1 1 250.430 3.198 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc2cc(Br)cnc2c1 ZINC001235737252 819157726 /nfs/dbraw/zinc/15/77/26/819157726.db2.gz GFUMJVAHDUQBKL-UHFFFAOYSA-N 1 1 289.176 3.062 20 30 CGEDMO C=CCCC[N@@H+](C)CCCNC(=O)CC1=CCCCC1 ZINC001235785382 819167975 /nfs/dbraw/zinc/16/79/75/819167975.db2.gz MYWKJUSYYSDQKD-UHFFFAOYSA-N 1 1 278.440 3.281 20 30 CGEDMO CCCCCCC[N@H+](CCCOC)[C@H]1CCCNC1 ZINC001235795075 819169871 /nfs/dbraw/zinc/16/98/71/819169871.db2.gz IGSPPKJPBWYVRV-INIZCTEOSA-N 1 1 270.461 3.047 20 30 CGEDMO CCCCCCC[N@@H+](CCCOC)[C@H]1CCCNC1 ZINC001235795075 819169874 /nfs/dbraw/zinc/16/98/74/819169874.db2.gz IGSPPKJPBWYVRV-INIZCTEOSA-N 1 1 270.461 3.047 20 30 CGEDMO CCCCCCCN1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236007625 819271819 /nfs/dbraw/zinc/27/18/19/819271819.db2.gz XUXSHKIQVLHSJS-MOPGFXCFSA-N 1 1 286.463 3.430 20 30 CGEDMO COc1cc(O)c(C[N@H+]2CCC[C@@H](C#N)CC2)c(Cl)c1 ZINC001236803923 819602086 /nfs/dbraw/zinc/60/20/86/819602086.db2.gz QEVVWAUFXMUAML-LLVKDONJSA-N 1 1 294.782 3.180 20 30 CGEDMO C#CC[N@@H+](C)Cc1ccc(-c2ccc(F)cc2F)nc1 ZINC001237017981 819645589 /nfs/dbraw/zinc/64/55/89/819645589.db2.gz RMOZGSHOZCCSFH-UHFFFAOYSA-N 1 1 272.298 3.092 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(-c2ccc(F)cc2F)nc1 ZINC001237017981 819645593 /nfs/dbraw/zinc/64/55/93/819645593.db2.gz RMOZGSHOZCCSFH-UHFFFAOYSA-N 1 1 272.298 3.092 20 30 CGEDMO COc1cccc2c(C[N@H+]3CCC[C@@H](CC#N)C3)ccnc12 ZINC001237118485 819672120 /nfs/dbraw/zinc/67/21/20/819672120.db2.gz XZDXYZYRGQWKHL-AWEZNQCLSA-N 1 1 295.386 3.369 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237139113 819676933 /nfs/dbraw/zinc/67/69/33/819676933.db2.gz CUBZFGIBTHCYTH-NSHDSACASA-N 1 1 283.293 3.256 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCNC3=CCCC[C@H]32)cc1 ZINC001237217628 819698970 /nfs/dbraw/zinc/69/89/70/819698970.db2.gz BMSLJHPXYFUCLI-GOSISDBHSA-N 1 1 284.403 3.093 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCNC3=CCCC[C@H]32)cc1 ZINC001237217628 819698974 /nfs/dbraw/zinc/69/89/74/819698974.db2.gz BMSLJHPXYFUCLI-GOSISDBHSA-N 1 1 284.403 3.093 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)c(F)cc1F)CC(C)(C)C ZINC001237527833 819772179 /nfs/dbraw/zinc/77/21/79/819772179.db2.gz XLXIUAQTWZHTNV-UHFFFAOYSA-N 1 1 252.308 3.314 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2cc(C#N)c(F)cc2F)[C@@H]1C ZINC001237525255 819772429 /nfs/dbraw/zinc/77/24/29/819772429.db2.gz CEWXDLLFSIAVFC-GHMZBOCLSA-N 1 1 264.319 3.457 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccnc(OC(F)F)c1 ZINC001237622279 819788625 /nfs/dbraw/zinc/78/86/25/819788625.db2.gz MBQZZVJVOFJXQH-UHFFFAOYSA-N 1 1 256.296 3.081 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c1 ZINC001237746375 819833254 /nfs/dbraw/zinc/83/32/54/819833254.db2.gz LZOLLUDQMHWSFT-HOCLYGCPSA-N 1 1 290.794 3.213 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237798644 819843918 /nfs/dbraw/zinc/84/39/18/819843918.db2.gz JSDHGQNAODBEDS-SNVBAGLBSA-N 1 1 267.731 3.030 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1[nH]c(-c2ccc[nH]2)cc1OC ZINC001237881675 819869277 /nfs/dbraw/zinc/86/92/77/819869277.db2.gz HELFWYNIWHTBDB-UHFFFAOYSA-N 1 1 273.380 3.416 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cncc(C2CC2)c1 ZINC001238186740 819948650 /nfs/dbraw/zinc/94/86/50/819948650.db2.gz DGGXGQAYGGCKDB-IBEGIYRJSA-N 1 1 267.376 3.226 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@H](C(F)F)C2)ccc1C#N ZINC001238410113 819987681 /nfs/dbraw/zinc/98/76/81/819987681.db2.gz VUTWBOLRVZMHNX-ZDUSSCGKSA-N 1 1 280.318 3.044 20 30 CGEDMO COc1cc(C[N@H+]2CC[C@H](F)C(F)(F)CC2)ccc1C#N ZINC001238409232 819988638 /nfs/dbraw/zinc/98/86/38/819988638.db2.gz AFUZYFMIGYPUMI-AWEZNQCLSA-N 1 1 298.308 3.136 20 30 CGEDMO CC(C)Oc1cncc(C[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC001238467575 820012361 /nfs/dbraw/zinc/01/23/61/820012361.db2.gz VMDMPXLNGNQIEA-UHFFFAOYSA-N 1 1 295.386 3.372 20 30 CGEDMO CC(C)Oc1cncc(C[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC001238467575 820012368 /nfs/dbraw/zinc/01/23/68/820012368.db2.gz VMDMPXLNGNQIEA-UHFFFAOYSA-N 1 1 295.386 3.372 20 30 CGEDMO N#CC1CC[NH+](Cc2ccc(F)c(C3CC3)c2)CC1 ZINC001238503359 820028331 /nfs/dbraw/zinc/02/83/31/820028331.db2.gz LHQIBPHCQFIKMS-UHFFFAOYSA-N 1 1 258.340 3.439 20 30 CGEDMO CCc1cc(C[N@@H+]2CCc3cccnc3C2)ccc1C#N ZINC001238769458 820112481 /nfs/dbraw/zinc/11/24/81/820112481.db2.gz TWULYVBFUCTBCL-UHFFFAOYSA-N 1 1 277.371 3.074 20 30 CGEDMO CCc1cc(C[N@H+]2CCc3cccnc3C2)ccc1C#N ZINC001238769458 820112489 /nfs/dbraw/zinc/11/24/89/820112489.db2.gz TWULYVBFUCTBCL-UHFFFAOYSA-N 1 1 277.371 3.074 20 30 CGEDMO CCc1cc(C[N@H+]2CC[C@@H](OC(C)C)C2)ccc1C#N ZINC001238770035 820113050 /nfs/dbraw/zinc/11/30/50/820113050.db2.gz WXDZDOPHAMPTNP-QGZVFWFLSA-N 1 1 272.392 3.120 20 30 CGEDMO COc1cc(C#N)ccc1-c1ccc(C[N@@H+](C)C2CC2)cn1 ZINC001241395089 821792936 /nfs/dbraw/zinc/79/29/36/821792936.db2.gz MYZVIJYLTXQKQN-UHFFFAOYSA-N 1 1 293.370 3.223 20 30 CGEDMO C[N@H+]1CCC=C(c2nc3ccccc3cc2CC#N)C1 ZINC001241567730 821954761 /nfs/dbraw/zinc/95/47/61/821954761.db2.gz HAMPRVJDCGWTBO-UHFFFAOYSA-N 1 1 263.344 3.020 20 30 CGEDMO C#Cc1ccc(-c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC001242295361 822942027 /nfs/dbraw/zinc/94/20/27/822942027.db2.gz YGCXWVKSNVWORS-UHFFFAOYSA-N 1 1 277.367 3.167 20 30 CGEDMO COCC[N@@H+](C)Cc1ccnc(-c2ccc(C#N)cc2C)c1 ZINC001242474784 823005187 /nfs/dbraw/zinc/00/51/87/823005187.db2.gz VUYGRASBDAETEO-UHFFFAOYSA-N 1 1 295.386 3.007 20 30 CGEDMO C=CC[C@H]([NH2+][C@@H]1CCCC(C)(C)C1)C(=O)OCC ZINC001339095785 936349794 /nfs/dbraw/zinc/34/97/94/936349794.db2.gz SFAWTYZYPLTJSV-OLZOCXBDSA-N 1 1 253.386 3.053 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)C12CCC(CC1)CC2 ZINC001327290847 935051543 /nfs/dbraw/zinc/05/15/43/935051543.db2.gz IZIGJCUXGDDVOW-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO CC[C@H](NCCC[NH+]1CCCC1)c1cccc(C#N)c1 ZINC001339195470 936358362 /nfs/dbraw/zinc/35/83/62/936358362.db2.gz QGRUJPHBLYHGLI-KRWDZBQOSA-N 1 1 271.408 3.085 20 30 CGEDMO C=CCn1cnn(C[N@@H+]2C[C@@H](C)CCC[C@@H]2C)c1=S ZINC001339479479 936374673 /nfs/dbraw/zinc/37/46/73/936374673.db2.gz INKYMKNXFXDKPR-STQMWFEESA-N 1 1 280.441 3.068 20 30 CGEDMO C=CCn1cnn(C[N@H+]2C[C@@H](C)CCC[C@@H]2C)c1=S ZINC001339479479 936374678 /nfs/dbraw/zinc/37/46/78/936374678.db2.gz INKYMKNXFXDKPR-STQMWFEESA-N 1 1 280.441 3.068 20 30 CGEDMO C#CC[N@H+](Cc1ccnn1-c1ccccc1C)CC1CC1 ZINC001344367123 936531460 /nfs/dbraw/zinc/53/14/60/936531460.db2.gz SETFDSCGDVWWQR-UHFFFAOYSA-N 1 1 279.387 3.026 20 30 CGEDMO CC1(C)C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1(C)C ZINC001346116772 936839073 /nfs/dbraw/zinc/83/90/73/936839073.db2.gz LUFDIAGRNPENDS-UHFFFAOYSA-N 1 1 273.336 3.087 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1(C)C ZINC001346116772 936839075 /nfs/dbraw/zinc/83/90/75/936839075.db2.gz LUFDIAGRNPENDS-UHFFFAOYSA-N 1 1 273.336 3.087 20 30 CGEDMO C=CCC[C@@H]1CCCN1C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC001346552371 936852674 /nfs/dbraw/zinc/85/26/74/936852674.db2.gz DMVJYWOYIPQCGQ-CQSZACIVSA-N 1 1 288.395 3.110 20 30 CGEDMO C=C[C@H](C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)c1ccccc1 ZINC001347861952 936899880 /nfs/dbraw/zinc/89/98/80/936899880.db2.gz SVXFSVJBLJFKFC-ROUUACIJSA-N 1 1 298.430 3.089 20 30 CGEDMO C[C@]12CCCC[C@H]1C[N@@H+]2Cc1ccc(F)cc1C#N ZINC001348258772 936915359 /nfs/dbraw/zinc/91/53/59/936915359.db2.gz YRJDTSKHPVSIPB-HOCLYGCPSA-N 1 1 258.340 3.462 20 30 CGEDMO C[C@]12CCCC[C@H]1C[N@H+]2Cc1ccc(F)cc1C#N ZINC001348258772 936915361 /nfs/dbraw/zinc/91/53/61/936915361.db2.gz YRJDTSKHPVSIPB-HOCLYGCPSA-N 1 1 258.340 3.462 20 30 CGEDMO C=CCC1(NC(=O)[C@@H]2CC[C@H]3C[C@H](C)C[N@@H+]3C2)CCCC1 ZINC001350090693 936978023 /nfs/dbraw/zinc/97/80/23/936978023.db2.gz CJIGLTVAGUEFGB-XHSDSOJGSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H](C[N@H+](C)CC2CC(C)C2)C1 ZINC001480073152 937005840 /nfs/dbraw/zinc/00/58/40/937005840.db2.gz QVGIXVHQSZWLDP-CGZBRXJRSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)o2)C1 ZINC001351273104 937013188 /nfs/dbraw/zinc/01/31/88/937013188.db2.gz JTSXFPGIZNEBOS-HNNXBMFYSA-N 1 1 284.359 3.119 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CC(C)=C(C)C)C1 ZINC001480381059 937048134 /nfs/dbraw/zinc/04/81/34/937048134.db2.gz AIKVCFRYTPQNNN-CVEARBPZSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C1CCN(c2nc(N3Cc4ccccc4C3)cc[nH+]2)CC1 ZINC001354109001 937090557 /nfs/dbraw/zinc/09/05/57/937090557.db2.gz KPWPYXRMDXYFJK-UHFFFAOYSA-N 1 1 292.386 3.153 20 30 CGEDMO CC(C)C[C@@H](CO)[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC001354625080 937108295 /nfs/dbraw/zinc/10/82/95/937108295.db2.gz BQNVLZLVDIKOBL-HNNXBMFYSA-N 1 1 280.799 3.050 20 30 CGEDMO C=CC1(CC(=O)NCC[N@H+](C)CC2CCC2)CCCCC1 ZINC001480924626 926803688 /nfs/dbraw/zinc/80/36/88/926803688.db2.gz RLHKXRHKXIELNO-UHFFFAOYSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)C[C@@H]1CC[C@@H](C)C1 ZINC001480994066 926854436 /nfs/dbraw/zinc/85/44/36/926854436.db2.gz WFVVPSJMJCIAQN-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)c1ccoc1C(C)C ZINC001481020764 926861174 /nfs/dbraw/zinc/86/11/74/926861174.db2.gz WAMGMQIXKHZYAG-UHFFFAOYSA-N 1 1 292.423 3.421 20 30 CGEDMO C=C(C)C[N@H+](CCNC(=O)c1ccc(CC)cc1)C1CC1 ZINC001481195721 926905100 /nfs/dbraw/zinc/90/51/00/926905100.db2.gz XYUIUOOVLDPZDT-UHFFFAOYSA-N 1 1 286.419 3.019 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)c2cocc2C)C1 ZINC001481770344 926937891 /nfs/dbraw/zinc/93/78/91/926937891.db2.gz CRWOYGQMHVCNKF-HNNXBMFYSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@]2(C)C=CCC2)C1 ZINC001481493943 927004152 /nfs/dbraw/zinc/00/41/52/927004152.db2.gz KEGRLHUEBDSUSO-SJLPKXTDSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(CC)CC)C1 ZINC001481508340 927007810 /nfs/dbraw/zinc/00/78/10/927007810.db2.gz JCHGZZWPPBFICK-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO CCC(CC)C[N@H+]1CCC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001481534341 927019820 /nfs/dbraw/zinc/01/98/20/927019820.db2.gz MNVYDOSRAVSTGT-INIZCTEOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC)CC(C)C)C1 ZINC001481539106 927022562 /nfs/dbraw/zinc/02/25/62/927022562.db2.gz UHXKCAFSKIHJLA-HOTGVXAUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCCC ZINC001481676319 927054097 /nfs/dbraw/zinc/05/40/97/927054097.db2.gz CSISBMDJCXUUDK-ZOBUZTSGSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC001481686464 927058423 /nfs/dbraw/zinc/05/84/23/927058423.db2.gz XXGQHTPGDIQHGB-RDJZCZTQSA-N 1 1 286.419 3.213 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2csc(Cl)c2)C1 ZINC001481707003 927067291 /nfs/dbraw/zinc/06/72/91/927067291.db2.gz QAYQKAATAIGOGU-GFCCVEGCSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CCC1(C(=O)N(C)[C@H]2CC[N@H+](CCCC)C2)CCCC1 ZINC001481755470 927078805 /nfs/dbraw/zinc/07/88/05/927078805.db2.gz ZNQOSCGMYICRCN-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)/C=C\C(C)(C)C)C1 ZINC001481761958 927082706 /nfs/dbraw/zinc/08/27/06/927082706.db2.gz POJUNYCKYGCTSV-CLOOOTJHSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CC[N@H+](C)CCC1CCN(C(=O)C[C@@H](C)C2CC2)CC1 ZINC001482509538 927273492 /nfs/dbraw/zinc/27/34/92/927273492.db2.gz WWANNAZTKOBWTG-OAHLLOKOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)c1ccc(C2CC2)cc1 ZINC001482650405 927335721 /nfs/dbraw/zinc/33/57/21/927335721.db2.gz TTZHPDGYGGWDIW-UHFFFAOYSA-N 1 1 286.419 3.144 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)CCC3(C)CC3)CC[C@@H]21 ZINC001482667219 927345105 /nfs/dbraw/zinc/34/51/05/927345105.db2.gz RQRADFSCQMUYKF-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)Cc1cccs1 ZINC001483305210 927477499 /nfs/dbraw/zinc/47/74/99/927477499.db2.gz CIQTWWDBWLAFEG-KGLIPLIRSA-N 1 1 294.464 3.082 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C)C(CC)CC ZINC001483662414 927561995 /nfs/dbraw/zinc/56/19/95/927561995.db2.gz UYYGTXADRZPBKH-GDBMZVCRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCCC(=O)N1CCCC[C@H]1[C@@H]1CC[N@H+](CCC)C1 ZINC001483801684 927624823 /nfs/dbraw/zinc/62/48/23/927624823.db2.gz KWHCNFZOJFLONH-SJORKVTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001484052475 927667824 /nfs/dbraw/zinc/66/78/24/927667824.db2.gz MLAVNUSNNVLNPM-IIDMSEBBSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC001484391680 927700192 /nfs/dbraw/zinc/70/01/92/927700192.db2.gz WRTLKGLWXTXSPQ-DFGXFYAUSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](C)CC(C)C ZINC001484466825 927709180 /nfs/dbraw/zinc/70/91/80/927709180.db2.gz XBNTWKWNYIVYIK-IXDOHACOSA-N 1 1 292.467 3.310 20 30 CGEDMO CC#CCCCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCCC ZINC001484463562 927710381 /nfs/dbraw/zinc/71/03/81/927710381.db2.gz QOTKGLAHNROKIK-DLBZAZTESA-N 1 1 290.451 3.045 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@@H+](C/C=C/Cl)CC1 ZINC001484715689 927741529 /nfs/dbraw/zinc/74/15/29/927741529.db2.gz VCADXGINFSDLHI-VIIAAUOXSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001484747880 927752123 /nfs/dbraw/zinc/75/21/23/927752123.db2.gz OBSQOSYENGCFKZ-BRWVUGGUSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001484772637 927755555 /nfs/dbraw/zinc/75/55/55/927755555.db2.gz YJOKSUXOLIKYEP-SJORKVTESA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC(C)(C)C(=O)N(C)CCC[N@H+](C)CC(=C)Cl ZINC001484759686 927756569 /nfs/dbraw/zinc/75/65/69/927756569.db2.gz CBXBLMXYIIWPSW-UHFFFAOYSA-N 1 1 286.847 3.122 20 30 CGEDMO C=CCC(C)(C)C(=O)N(C)CCC[N@@H+](C)CC(=C)Cl ZINC001484759686 927756579 /nfs/dbraw/zinc/75/65/79/927756579.db2.gz CBXBLMXYIIWPSW-UHFFFAOYSA-N 1 1 286.847 3.122 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)c1cc(C)c(C)s1 ZINC001484767132 927756634 /nfs/dbraw/zinc/75/66/34/927756634.db2.gz UPYZDAMJUOCEOR-UHFFFAOYSA-N 1 1 294.464 3.335 20 30 CGEDMO C=CCCCC(=O)NC[C@H]1Cc2ccccc2C[N@@H+]1CC=C ZINC001484825122 927760727 /nfs/dbraw/zinc/76/07/27/927760727.db2.gz SYNLUPBDPXPUFR-GOSISDBHSA-N 1 1 298.430 3.072 20 30 CGEDMO C=CCCCC(=O)NC[C@H]1Cc2ccccc2C[N@H+]1CC=C ZINC001484825122 927760738 /nfs/dbraw/zinc/76/07/38/927760738.db2.gz SYNLUPBDPXPUFR-GOSISDBHSA-N 1 1 298.430 3.072 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)/C(C)=C/CC)C[C@H]1C ZINC001484970096 927778766 /nfs/dbraw/zinc/77/87/66/927778766.db2.gz YWSUVCPFUCTTOZ-RBBJEVKSSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[N@@H+](CCCC=C)[C@H](C)C1 ZINC001484976608 927781170 /nfs/dbraw/zinc/78/11/70/927781170.db2.gz MNVBQUQSUGCSNY-HZPDHXFCSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CC2(C)CC2)C[C@H]1C ZINC001484978992 927783794 /nfs/dbraw/zinc/78/37/94/927783794.db2.gz LNTBJSTZBOBPIC-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccoc1C ZINC001485049149 927796852 /nfs/dbraw/zinc/79/68/52/927796852.db2.gz ZAJTXZANROWCLB-HNNXBMFYSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[C@@H]1C[N@H+](C)CC(=C)Cl ZINC001485067141 927798653 /nfs/dbraw/zinc/79/86/53/927798653.db2.gz IHSBOPMWVKYAKT-HUUCEWRRSA-N 1 1 298.858 3.264 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC(=C)Cl ZINC001485067141 927798660 /nfs/dbraw/zinc/79/86/60/927798660.db2.gz IHSBOPMWVKYAKT-HUUCEWRRSA-N 1 1 298.858 3.264 20 30 CGEDMO C#CCC[N@H+](C)[C@H](C)CNC(=O)CCC1CCCCCC1 ZINC001485329525 927849790 /nfs/dbraw/zinc/84/97/90/927849790.db2.gz MZIWSVDHWWVJFP-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)c1ccc(Cl)s1 ZINC001485381628 927858493 /nfs/dbraw/zinc/85/84/93/927858493.db2.gz OMDGNAIINYPIJA-JTQLQIEISA-N 1 1 286.828 3.028 20 30 CGEDMO C#CCCCCC(=O)NC[C@@H]1CCCCC[N@@H+]1CC(=C)C ZINC001485477905 927877890 /nfs/dbraw/zinc/87/78/90/927877890.db2.gz KFBSEXVQWGEXTI-KRWDZBQOSA-N 1 1 290.451 3.117 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C[C@H](CC)C(C)(C)C)C(C)(C)C1 ZINC001485581466 927887986 /nfs/dbraw/zinc/88/79/86/927887986.db2.gz DNCMBAOQCMLOSV-LSDHHAIUSA-N 1 1 294.483 3.461 20 30 CGEDMO C/C=C(\C)C(=O)NCC1[C@H]2C[N@@H+](CCCCCCC)C[C@@H]12 ZINC001485595675 927892941 /nfs/dbraw/zinc/89/29/41/927892941.db2.gz FSGSFIPBWSCMNV-QURPVAQKSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCCCCC)C[C@H]2C1 ZINC001485656569 927896012 /nfs/dbraw/zinc/89/60/12/927896012.db2.gz DYFDBRMGVGQULN-ULQDDVLXSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+](C)C1CCN(C(=O)c2cocc2C)CC1 ZINC001485761992 927916268 /nfs/dbraw/zinc/91/62/68/927916268.db2.gz IJZREVFQGCYDAJ-UHFFFAOYSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)/C=C(\C)C2CC2)[C@@H]1C ZINC001486172346 927993497 /nfs/dbraw/zinc/99/34/97/927993497.db2.gz UKAGTYLPSXVVJS-YTLDMCMYSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CCC[N@H+](CCCC)[C@@H]1C ZINC001486177327 927996026 /nfs/dbraw/zinc/99/60/26/927996026.db2.gz PIZOUCSVLWQDAF-HUUCEWRRSA-N 1 1 266.429 3.112 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CCC[N@@H+](CC2CCC2)[C@@H]1C ZINC001486176725 927996547 /nfs/dbraw/zinc/99/65/47/927996547.db2.gz LBFONMCHXMLPAH-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C2(C3CC3)CC2)[C@H]1C ZINC001486176901 927996969 /nfs/dbraw/zinc/99/69/69/927996969.db2.gz MADMKBOUJQXXHG-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)CCC)[C@H]1C ZINC001486180396 927997172 /nfs/dbraw/zinc/99/71/72/927997172.db2.gz MLLUYBTZVGAVQE-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CCC[N@H+](CC(CC)CC)C1 ZINC001494323350 928054073 /nfs/dbraw/zinc/05/40/73/928054073.db2.gz ADHHUKOYLOVXEW-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCCC(=O)NC1C[NH+]([C@@H](C)c2ccccc2C)C1 ZINC001494447285 928058038 /nfs/dbraw/zinc/05/80/38/928058038.db2.gz ZTDRLGDKNNEMNJ-HNNXBMFYSA-N 1 1 286.419 3.213 20 30 CGEDMO CC(C)[C@@H]1CCCCC[N@H+]1Cc1cc(C#N)ccn1 ZINC001307622251 928079429 /nfs/dbraw/zinc/07/94/29/928079429.db2.gz SFGMFUTWCZTJBG-INIZCTEOSA-N 1 1 257.381 3.354 20 30 CGEDMO N#Cc1ccc(CNc2nc(N3CCCCC3)cc[nH+]2)s1 ZINC001159176274 928153950 /nfs/dbraw/zinc/15/39/50/928153950.db2.gz FJBWHRYIQCEHBH-UHFFFAOYSA-N 1 1 299.403 3.012 20 30 CGEDMO C#CCC[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000217569061 928157450 /nfs/dbraw/zinc/15/74/50/928157450.db2.gz RRLZYCBWTBUGLH-UHFFFAOYSA-N 1 1 257.255 3.040 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@]2(C1)CCCCO2 ZINC001171208802 928201177 /nfs/dbraw/zinc/20/11/77/928201177.db2.gz FBZZYRRTDSSXTP-CRAIPNDOSA-N 1 1 284.403 3.134 20 30 CGEDMO Cc1ccc2c(c1)C[C@H]([N@H+]1CCC[C@H](C#N)C1)CC2 ZINC001172829815 928226634 /nfs/dbraw/zinc/22/66/34/928226634.db2.gz DKRGKQOWDWWYGV-RHSMWYFYSA-N 1 1 254.377 3.088 20 30 CGEDMO CC(C)N1CC[C@H]([NH2+]C2CCC(CC#N)CC2)[C@@H](C)C1 ZINC001173332621 928228907 /nfs/dbraw/zinc/22/89/07/928228907.db2.gz PPXIASBUKDBQNB-OTBWCIGPSA-N 1 1 277.456 3.167 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)C2(CC(C)C)CC2)C1 ZINC001190596351 928256798 /nfs/dbraw/zinc/25/67/98/928256798.db2.gz ZHYUJHZXDVCQPA-CQSZACIVSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)C2(CC(C)C)CC2)C1 ZINC001190596351 928256812 /nfs/dbraw/zinc/25/68/12/928256812.db2.gz ZHYUJHZXDVCQPA-CQSZACIVSA-N 1 1 298.858 3.098 20 30 CGEDMO C[N@H+]1CCc2ccc(Nc3ccc(C#N)cc3F)cc2C1 ZINC001201575828 928280571 /nfs/dbraw/zinc/28/05/71/928280571.db2.gz YEJYLXAMLMCMHR-UHFFFAOYSA-N 1 1 281.334 3.429 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)C1CCC1 ZINC001488646049 928287902 /nfs/dbraw/zinc/28/79/02/928287902.db2.gz YGVQLQYBCCLQKW-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO CC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[C@H](C)CCC ZINC001489319870 928323821 /nfs/dbraw/zinc/32/38/21/928323821.db2.gz HKJCJWAQXPMKJF-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCCC(=O)N1CCCC[C@H]1C[N@H+](C)CC[C@@H](C)F ZINC001489340614 928327005 /nfs/dbraw/zinc/32/70/05/928327005.db2.gz ZHCKOXMQCSBYLT-CVEARBPZSA-N 1 1 298.446 3.404 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[N@H+](CCC)CC(C)(C)C1 ZINC001489347939 928328995 /nfs/dbraw/zinc/32/89/95/928328995.db2.gz RIUXJHDYBMZKGU-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)CCCCC ZINC001493163111 928340006 /nfs/dbraw/zinc/34/00/06/928340006.db2.gz RJLMTXLDHXUYSV-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO CC[N@@H+](CCCNC(=O)C#CC(C)(C)C)CC1CCCC1 ZINC001490324979 928348751 /nfs/dbraw/zinc/34/87/51/928348751.db2.gz NZCJRVBHPKARFF-UHFFFAOYSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cc(OC)c(O)cc2Cl)C1 ZINC001560948482 937238894 /nfs/dbraw/zinc/23/88/94/937238894.db2.gz YDOADJRZGPEEIJ-NSHDSACASA-N 1 1 281.783 3.452 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001490548009 928365999 /nfs/dbraw/zinc/36/59/99/928365999.db2.gz KVEMVOGOUZLSFR-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)CC2CCCC2)C1 ZINC001490563505 928372694 /nfs/dbraw/zinc/37/26/94/928372694.db2.gz NZHKEMJRJMURPR-IAGOWNOFSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001490553248 928372887 /nfs/dbraw/zinc/37/28/87/928372887.db2.gz POLVJOUTZOIXSF-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)/C=C(\C)CC)C1 ZINC001490761460 928387752 /nfs/dbraw/zinc/38/77/52/928387752.db2.gz XQNDIIYGIDNTPI-NWNNTGRJSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc(Cl)cc1 ZINC001492824438 937241922 /nfs/dbraw/zinc/24/19/22/937241922.db2.gz WAMDUOACVMNIQS-ZDUSSCGKSA-N 1 1 294.826 3.356 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CC1CCN(C(=O)C(C)(C)F)CC1 ZINC001317865580 928407268 /nfs/dbraw/zinc/40/72/68/928407268.db2.gz PXXYLFJYQGXHLJ-CQSZACIVSA-N 1 1 298.446 3.260 20 30 CGEDMO C=CC1(CC(=O)N2CC[N@H+](CC)C[C@@H]2CC)CCCCC1 ZINC001436240077 937277333 /nfs/dbraw/zinc/27/73/33/937277333.db2.gz FLACCLWRUYERHW-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C[C@@H](OC(=O)[C@@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001437643919 937296601 /nfs/dbraw/zinc/29/66/01/937296601.db2.gz WRPHLKNVRRVLJA-JKSUJKDBSA-N 1 1 273.376 3.330 20 30 CGEDMO C[N@@H+]1Cc2ccccc2[C@H](Nc2cc(F)ccc2C#N)C1 ZINC001458306147 937458043 /nfs/dbraw/zinc/45/80/43/937458043.db2.gz NYSIXSOTGKVCFK-QGZVFWFLSA-N 1 1 281.334 3.296 20 30 CGEDMO CC[C@@]1(C)CCC[N@@H+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC001459570895 937492826 /nfs/dbraw/zinc/49/28/26/937492826.db2.gz ZKOXJGXYXHREAW-IRXDYDNUSA-N 1 1 272.392 3.104 20 30 CGEDMO N#Cc1ccnc(C[NH+]2CCC(Nc3ccccc3)CC2)c1 ZINC001459798124 937500956 /nfs/dbraw/zinc/50/09/56/937500956.db2.gz MBMJURFBNHVXMM-UHFFFAOYSA-N 1 1 292.386 3.030 20 30 CGEDMO C=CC[N@H+](CCc1cccc2c1OC(F)(F)O2)C1CC1 ZINC001459813484 937501443 /nfs/dbraw/zinc/50/14/43/937501443.db2.gz JPFDJBNPEDWEAD-UHFFFAOYSA-N 1 1 281.302 3.201 20 30 CGEDMO CC[C@@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)[C@H]1C ZINC001459982862 937509673 /nfs/dbraw/zinc/50/96/73/937509673.db2.gz JFFWBLDMEFAXJJ-LSDHHAIUSA-N 1 1 264.413 3.207 20 30 CGEDMO C=C(C)C[N@H+]1[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C ZINC001460297115 937525882 /nfs/dbraw/zinc/52/58/82/937525882.db2.gz NSFNGLYKQZCENV-MCIONIFRSA-N 1 1 282.428 3.281 20 30 CGEDMO Cc1cccc(C)c1C[N@@H+](C)Cc1cc(C#N)ccn1 ZINC001460850619 937549073 /nfs/dbraw/zinc/54/90/73/937549073.db2.gz PSXHZBMRNTYJQG-UHFFFAOYSA-N 1 1 265.360 3.202 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1CCCNC(=O)OC(C)(C)C ZINC001460886800 937550170 /nfs/dbraw/zinc/55/01/70/937550170.db2.gz QMKPRZCRXCTFQF-AWEZNQCLSA-N 1 1 282.428 3.332 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001460885218 937550278 /nfs/dbraw/zinc/55/02/78/937550278.db2.gz BGHYWOSSOUMBPZ-GOEBONIOSA-N 1 1 290.363 3.059 20 30 CGEDMO N#Cc1ccc(Cl)c(C[N@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)c1 ZINC001140603208 931958987 /nfs/dbraw/zinc/95/89/87/931958987.db2.gz FKVDYYFFGBAHKS-TZMCWYRMSA-N 1 1 288.778 3.013 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Cl)C1 ZINC001140600922 931959280 /nfs/dbraw/zinc/95/92/80/931959280.db2.gz ATIFAOZOLDRBEJ-GFCCVEGCSA-N 1 1 273.767 3.337 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2Cl)C1 ZINC001140600922 931959287 /nfs/dbraw/zinc/95/92/87/931959287.db2.gz ATIFAOZOLDRBEJ-GFCCVEGCSA-N 1 1 273.767 3.337 20 30 CGEDMO N#Cc1ccc(Cl)c(C[N@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)c1 ZINC001140603205 931959303 /nfs/dbraw/zinc/95/93/03/931959303.db2.gz FKVDYYFFGBAHKS-GXTWGEPZSA-N 1 1 288.778 3.013 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@H](C)CC)C1 ZINC001209680893 932008426 /nfs/dbraw/zinc/00/84/26/932008426.db2.gz UCUWNFSXIVWXIE-YRGRVCCFSA-N 1 1 286.847 3.002 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@H](C)CC)C1 ZINC001209680893 932008431 /nfs/dbraw/zinc/00/84/31/932008431.db2.gz UCUWNFSXIVWXIE-YRGRVCCFSA-N 1 1 286.847 3.002 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(C(=O)OC)cc1OCC ZINC001209686802 932009469 /nfs/dbraw/zinc/00/94/69/932009469.db2.gz ZODGNGLJMIEBJX-UHFFFAOYSA-N 1 1 291.391 3.270 20 30 CGEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc3nc(C#N)sc3c1)C2 ZINC001226675478 932040458 /nfs/dbraw/zinc/04/04/58/932040458.db2.gz RZGZLQLZMAGXAX-PJXYFTJBSA-N 1 1 299.399 3.172 20 30 CGEDMO C[N@H+]1CCc2cc(O[C@H](C#N)c3ccccc3F)ccc2C1 ZINC001228945990 932057502 /nfs/dbraw/zinc/05/75/02/932057502.db2.gz ZGXLFNPEPKAYOH-GOSISDBHSA-N 1 1 296.345 3.457 20 30 CGEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc(C3(C#N)CC3)cc1)C2 ZINC001229939189 932506526 /nfs/dbraw/zinc/50/65/26/932506526.db2.gz XJEIOUQPJXIQEQ-SCAQPMJSSA-N 1 1 282.387 3.246 20 30 CGEDMO C=CC[N@H+](Cc1ccn(CC)n1)CC1CCCCC1 ZINC001461989697 937610844 /nfs/dbraw/zinc/61/08/44/937610844.db2.gz RGDJAXMIBSSQNF-UHFFFAOYSA-N 1 1 261.413 3.471 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)/C(C)=C/CC)CC1 ZINC001230531294 932583521 /nfs/dbraw/zinc/58/35/21/932583521.db2.gz ZKHFYDCHBGAZJZ-SXKJYUOZSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(C(=O)OC)c(C(C)C)[nH]1 ZINC001462016362 937612891 /nfs/dbraw/zinc/61/28/91/937612891.db2.gz HKINQYPUQHHQJF-UHFFFAOYSA-N 1 1 278.396 3.323 20 30 CGEDMO C=CC[N@H+](CCOC)[C@@H](C)c1nccc2ccccc21 ZINC001462192791 937624114 /nfs/dbraw/zinc/62/41/14/937624114.db2.gz SUCQXXANPMSRJH-AWEZNQCLSA-N 1 1 270.376 3.430 20 30 CGEDMO C=CCC[C@H]([NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1)C(=O)OCC ZINC001462245505 937626658 /nfs/dbraw/zinc/62/66/58/937626658.db2.gz AYVLSDGBZYLVHO-XQLPTFJDSA-N 1 1 267.413 3.299 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC001462157802 937621446 /nfs/dbraw/zinc/62/14/46/937621446.db2.gz NZMZMOGNLCYXMN-ZDUSSCGKSA-N 1 1 284.334 3.467 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC001462157802 937621449 /nfs/dbraw/zinc/62/14/49/937621449.db2.gz NZMZMOGNLCYXMN-ZDUSSCGKSA-N 1 1 284.334 3.467 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]([N@H+](C)CC2CC(C)C2)C1 ZINC001491928391 932798701 /nfs/dbraw/zinc/79/87/01/932798701.db2.gz FHETUFHGJJQYKM-OFLPRAFFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC1(C)C ZINC001492166115 932808260 /nfs/dbraw/zinc/80/82/60/932808260.db2.gz HFSACSZEAZPNDT-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)CC(C)C)C1 ZINC001317202083 932819179 /nfs/dbraw/zinc/81/91/79/932819179.db2.gz DWQSJJGKDUKIDS-JKSUJKDBSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1CC[N@@H+](CC(C)C)[C@@H]1CC ZINC001316737119 932866979 /nfs/dbraw/zinc/86/69/79/932866979.db2.gz GRIDKBZODRGBNH-UXLLHSPISA-N 1 1 280.456 3.214 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@@H+](CC(C)C)[C@@H]1CC ZINC001316737120 932867073 /nfs/dbraw/zinc/86/70/73/932867073.db2.gz GRIDKBZODRGBNH-ZMSDIMECSA-N 1 1 280.456 3.214 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@H]2Nc1[nH+]cnc2[nH]ccc21 ZINC001307143214 932920558 /nfs/dbraw/zinc/92/05/58/932920558.db2.gz CHKXPDKSOHMQSY-OAHLLOKOSA-N 1 1 289.342 3.319 20 30 CGEDMO CCCCCCCCC[N@H+]1CCNC(=O)[C@H]1CCC ZINC001307656381 932978575 /nfs/dbraw/zinc/97/85/75/932978575.db2.gz OUQZSYFNNPNRAX-OAHLLOKOSA-N 1 1 268.445 3.338 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001307875177 933013148 /nfs/dbraw/zinc/01/31/48/933013148.db2.gz QOIMZZIOMKUXKC-KGLIPLIRSA-N 1 1 267.413 3.252 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cc(C#N)ccn2)CCc2ccc(F)cc21 ZINC001307889249 933015431 /nfs/dbraw/zinc/01/54/31/933015431.db2.gz KNSVZDZQRJKTCU-ZDUSSCGKSA-N 1 1 295.361 3.254 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cnn(-c3ccccc3)n2)C1 ZINC001307914984 933018312 /nfs/dbraw/zinc/01/83/12/933018312.db2.gz NLDZNOMUAXOSPL-HNNXBMFYSA-N 1 1 282.391 3.055 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2cnn(-c3ccccc3)n2)C1 ZINC001307914984 933018314 /nfs/dbraw/zinc/01/83/14/933018314.db2.gz NLDZNOMUAXOSPL-HNNXBMFYSA-N 1 1 282.391 3.055 20 30 CGEDMO C#CC[C@H]1CC[N@H+](CCCc2c(F)cccc2F)C1 ZINC001308069803 933042020 /nfs/dbraw/zinc/04/20/20/933042020.db2.gz XFGSZFOCXXKMIK-ZDUSSCGKSA-N 1 1 263.331 3.243 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1Cc2c[nH]nc2C[C@@H](C)C1 ZINC001308078814 933044666 /nfs/dbraw/zinc/04/46/66/933044666.db2.gz WREALCSSNGYSCS-GFCCVEGCSA-N 1 1 294.402 3.093 20 30 CGEDMO C[C@H]1Cc2n[nH]cc2C[N@H+](CCCCC(C)(C)C#N)C1 ZINC001308076372 933045327 /nfs/dbraw/zinc/04/53/27/933045327.db2.gz BIXDIZKHZZDURG-ZDUSSCGKSA-N 1 1 274.412 3.124 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001308124145 933053008 /nfs/dbraw/zinc/05/30/08/933053008.db2.gz JWKODRFEYDEWHF-GJZGRUSLSA-N 1 1 296.455 3.435 20 30 CGEDMO C[C@]12C[N@@H+](Cc3cccc(C#N)c3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001308119981 933054111 /nfs/dbraw/zinc/05/41/11/933054111.db2.gz WVCPSCAZLBEDKI-XWTMOSNGSA-N 1 1 266.388 3.426 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1CCCOCC(F)(F)F ZINC001308138093 933054616 /nfs/dbraw/zinc/05/46/16/933054616.db2.gz VLFBSMMQAXCCHA-LBPRGKRZSA-N 1 1 265.319 3.386 20 30 CGEDMO C#C[C@@H]1CCCC[N@H+]1Cc1cc(OC)ccc1Cl ZINC001308141094 933057204 /nfs/dbraw/zinc/05/72/04/933057204.db2.gz JRKFJDQCTWNHJW-CYBMUJFWSA-N 1 1 263.768 3.336 20 30 CGEDMO C#C[C@@H]1CCCC[N@@H+]1Cc1cc(OC)ccc1Cl ZINC001308141094 933057209 /nfs/dbraw/zinc/05/72/09/933057209.db2.gz JRKFJDQCTWNHJW-CYBMUJFWSA-N 1 1 263.768 3.336 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCCO2)c1F ZINC001308160301 933061474 /nfs/dbraw/zinc/06/14/74/933061474.db2.gz NLFVTNCLTOKIPZ-CVEARBPZSA-N 1 1 288.366 3.231 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CCCO2)s1 ZINC001308160994 933061701 /nfs/dbraw/zinc/06/17/01/933061701.db2.gz QSZRPIYLSAQWGF-LSDHHAIUSA-N 1 1 276.405 3.153 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCc2cc(O)ccc2C1 ZINC001308173410 933064995 /nfs/dbraw/zinc/06/49/95/933064995.db2.gz LPPTXKWTQBCLAP-UHFFFAOYSA-N 1 1 272.392 3.470 20 30 CGEDMO C#CC[N@H+](Cc1cncn1CCC)C1CCCCC1 ZINC001308589280 933138064 /nfs/dbraw/zinc/13/80/64/933138064.db2.gz BPBGVBMEFHMKQN-UHFFFAOYSA-N 1 1 259.397 3.061 20 30 CGEDMO C=CC[N@H+](Cc1cc(Br)cnc1F)C(C)C ZINC001308584988 933138624 /nfs/dbraw/zinc/13/86/24/933138624.db2.gz MTCVRFZDIMRGOC-UHFFFAOYSA-N 1 1 287.176 3.380 20 30 CGEDMO C=CC[N@@H+](Cc1cc(Br)cnc1F)C(C)C ZINC001308584988 933138627 /nfs/dbraw/zinc/13/86/27/933138627.db2.gz MTCVRFZDIMRGOC-UHFFFAOYSA-N 1 1 287.176 3.380 20 30 CGEDMO C=CC[N@@H+](Cc1nc(CO)cs1)CC1CCCCC1 ZINC001308633773 933145955 /nfs/dbraw/zinc/14/59/55/933145955.db2.gz DFVGGDPJPYXEKO-UHFFFAOYSA-N 1 1 280.437 3.204 20 30 CGEDMO C=CC[N@H+](Cc1nc(CO)cs1)CC1CCCCC1 ZINC001308633773 933145959 /nfs/dbraw/zinc/14/59/59/933145959.db2.gz DFVGGDPJPYXEKO-UHFFFAOYSA-N 1 1 280.437 3.204 20 30 CGEDMO N#CC1(C[NH2+]Cc2cccn2C(F)F)CCCC1 ZINC001308846285 933189396 /nfs/dbraw/zinc/18/93/96/933189396.db2.gz QKAVQKUEJPGMSL-UHFFFAOYSA-N 1 1 253.296 3.057 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC[C@@]2(C)C(=O)OC(C)(C)C)cc1 ZINC001308890051 933197331 /nfs/dbraw/zinc/19/73/31/933197331.db2.gz SSIMXJIXODAFRJ-IBGZPJMESA-N 1 1 299.414 3.364 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@]2(C)C(=O)OC(C)(C)C)cc1 ZINC001308890051 933197333 /nfs/dbraw/zinc/19/73/33/933197333.db2.gz SSIMXJIXODAFRJ-IBGZPJMESA-N 1 1 299.414 3.364 20 30 CGEDMO C#CC[N@@H+](Cc1cc2ccccc2c(OC)c1)C1CSC1 ZINC001308906766 933201221 /nfs/dbraw/zinc/20/12/21/933201221.db2.gz KIRAHRDNLMZYGJ-UHFFFAOYSA-N 1 1 297.423 3.399 20 30 CGEDMO C#CC[N@H+](Cc1cc2ccccc2c(OC)c1)C1CSC1 ZINC001308906766 933201227 /nfs/dbraw/zinc/20/12/27/933201227.db2.gz KIRAHRDNLMZYGJ-UHFFFAOYSA-N 1 1 297.423 3.399 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC1(C)C ZINC001317494683 933261444 /nfs/dbraw/zinc/26/14/44/933261444.db2.gz DQDWQDOARGPXOJ-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)CCCNC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC001311401468 933294225 /nfs/dbraw/zinc/29/42/25/933294225.db2.gz ROTFHRJOTAZQLU-OAHLLOKOSA-N 1 1 295.471 3.010 20 30 CGEDMO C=CCCCN(CC)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC001311691729 933309397 /nfs/dbraw/zinc/30/93/97/933309397.db2.gz ZTKUBVBPKZFFQD-JKSUJKDBSA-N 1 1 295.471 3.105 20 30 CGEDMO C=CCC[N@@H+](C)CCCNC(=O)[C@@]1(C)CC=C(C)CC1 ZINC001316866292 933333868 /nfs/dbraw/zinc/33/38/68/933333868.db2.gz JIJIMLVFBAFQFB-KRWDZBQOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1 ZINC001317036220 933467957 /nfs/dbraw/zinc/46/79/57/933467957.db2.gz SCVLKPFBSUGGRH-SJORKVTESA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCNC(=O)[C@H]1C[C@@]1(C)C(C)C ZINC001316858613 933488167 /nfs/dbraw/zinc/48/81/67/933488167.db2.gz WYAVQTWGNORIOK-WBVHZDCISA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1C(C)(C)C)C1CC1 ZINC001316923854 933494838 /nfs/dbraw/zinc/49/48/38/933494838.db2.gz YYZPKNQAKWOCRU-HZPDHXFCSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)[C@H]1C[C@@]1(C)C(C)C)C1CC1 ZINC001316929954 933497904 /nfs/dbraw/zinc/49/79/04/933497904.db2.gz KULUOVFLOKDXDK-AEFFLSMTSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CCC[N@H+](C[C@@H](C)CC)C1 ZINC001316943904 933500586 /nfs/dbraw/zinc/50/05/86/933500586.db2.gz IUKLPZIBMKKAKG-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)/C=C(/C)CC)C1 ZINC001317036857 933519961 /nfs/dbraw/zinc/51/99/61/933519961.db2.gz IXPSYGVPOPYCJF-NOCRFKNCSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](CNC(=O)/C=C(/C)CC)C1 ZINC001317131917 933537807 /nfs/dbraw/zinc/53/78/07/933537807.db2.gz UOOPEHGEYNGGPC-RTYFKUQISA-N 1 1 278.440 3.137 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@@H]([N@H+](C)C[C@H](C)CC)C2)C1 ZINC001317384445 933582519 /nfs/dbraw/zinc/58/25/19/933582519.db2.gz WPRYZDASUSWXKL-GDBMZVCRSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[C@@H]([N@H+](C)CCCC)C1 ZINC001317380165 933582752 /nfs/dbraw/zinc/58/27/52/933582752.db2.gz ZPSGQSWBHWQKEK-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)C(CC)(CC)CC)C1 ZINC001317380626 933582843 /nfs/dbraw/zinc/58/28/43/933582843.db2.gz FPKPFSGNOFBBAO-MRXNPFEDSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCCCCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001465308649 937699996 /nfs/dbraw/zinc/69/99/96/937699996.db2.gz RBRBZZIMKRONBR-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@@H+](CC)CCNC(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC001317480462 933598629 /nfs/dbraw/zinc/59/86/29/933598629.db2.gz UZLBHGIHRFVVJQ-QAQDUYKDSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@H+](C)CCNC(=O)c1ccc([C@H](C)CC)cc1 ZINC001317471497 933600102 /nfs/dbraw/zinc/60/01/02/933600102.db2.gz KIQPFPGYMKPWCN-CQSZACIVSA-N 1 1 274.408 3.048 20 30 CGEDMO C=CC[N@H+](CC)CCNC(=O)C[C@@H](CC)C(C)(C)C ZINC001317488370 933601706 /nfs/dbraw/zinc/60/17/06/933601706.db2.gz GTBPVMLRNXDCLP-CQSZACIVSA-N 1 1 268.445 3.073 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)c1ccc2ccccc2c1 ZINC001317491312 933603214 /nfs/dbraw/zinc/60/32/14/933603214.db2.gz UNCMCRYYUGVWOC-UHFFFAOYSA-N 1 1 296.414 3.468 20 30 CGEDMO C=CCCC[N@H+](CCNC(=O)C1(F)CCCCC1)C1CC1 ZINC001317558792 933620520 /nfs/dbraw/zinc/62/05/20/933620520.db2.gz MAJGWHQZGFYPBR-UHFFFAOYSA-N 1 1 296.430 3.206 20 30 CGEDMO C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC(C)C ZINC001317730143 933638139 /nfs/dbraw/zinc/63/81/39/933638139.db2.gz JTBWQETZISNXFI-IYBDPMFKSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC(C)(C)CC(=O)N(CCC)[C@H]1CC[N@@H+](CCC)C1 ZINC001317760126 933644008 /nfs/dbraw/zinc/64/40/08/933644008.db2.gz ZBWQGVMKXUVEPS-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)C2(C)CCCCC2)C1 ZINC001317855616 933658925 /nfs/dbraw/zinc/65/89/25/933658925.db2.gz XQTJTUVFXQSPDY-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001318273671 933703036 /nfs/dbraw/zinc/70/30/36/933703036.db2.gz VCLQAKRPCCJKIB-HIFRSBDPSA-N 1 1 292.448 3.041 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001318276799 933704134 /nfs/dbraw/zinc/70/41/34/933704134.db2.gz SPAJVWUWLYAXJT-WMZOPIPTSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@H+](CC/C=C/CC)C1 ZINC001318351173 933711921 /nfs/dbraw/zinc/71/19/21/933711921.db2.gz CHWLNLLINZQAMX-PJZFAXFVSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2ccsc2)C1 ZINC001318382298 933717322 /nfs/dbraw/zinc/71/73/22/933717322.db2.gz VMULXIDZQQMKDY-ZFWWWQNUSA-N 1 1 292.448 3.249 20 30 CGEDMO C=C/C(C)=C/CC(=O)N(C)[C@@H]1CC[N@@H+](CCC(=C)C)C1 ZINC001318422313 933723684 /nfs/dbraw/zinc/72/36/84/933723684.db2.gz HPJFVGQSUOCAPF-UBYXTUIOSA-N 1 1 276.424 3.008 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H](C)CCC)C1 ZINC001318460276 933730043 /nfs/dbraw/zinc/73/00/43/933730043.db2.gz XMONAAQKKNHBLN-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CC[N@H+](Cc1cc(=O)oc2cc(C)c(C)cc12)CC1CC1 ZINC001319458861 933879481 /nfs/dbraw/zinc/87/94/81/933879481.db2.gz RYTOFYVLAGUMLG-UHFFFAOYSA-N 1 1 295.382 3.255 20 30 CGEDMO C=CCC1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CCCC1 ZINC001467990309 937723547 /nfs/dbraw/zinc/72/35/47/937723547.db2.gz FHLAUSSBIISFMY-HOTGVXAUSA-N 1 1 290.451 3.256 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N(C)CC[N@H+](C)C[C@H](C)CC ZINC001320043179 933985369 /nfs/dbraw/zinc/98/53/69/933985369.db2.gz RRFAJULVLYMZFA-GDBMZVCRSA-N 1 1 268.445 3.025 20 30 CGEDMO C#CC[N@H+](Cc1cc(Cl)cc2c1OCC2)CC1CC1 ZINC001320292923 934028680 /nfs/dbraw/zinc/02/86/80/934028680.db2.gz XEONBYGZHRLYSW-UHFFFAOYSA-N 1 1 275.779 3.120 20 30 CGEDMO CCCCCCCCNC(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC001469355341 937738541 /nfs/dbraw/zinc/73/85/41/937738541.db2.gz SUBPXZSQMLFRAD-CABCVRRESA-N 1 1 295.471 3.271 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc(C)c(Cl)c2)C1 ZINC001321020864 934135990 /nfs/dbraw/zinc/13/59/90/934135990.db2.gz XTLWWHLBEQFMET-CQSZACIVSA-N 1 1 265.784 3.425 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2cnc(-c3ccco3)s2)C1 ZINC001321359442 934179323 /nfs/dbraw/zinc/17/93/23/934179323.db2.gz VKXNGZUSPPXMHC-LBPRGKRZSA-N 1 1 290.388 3.180 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)c1ccc(C)o1 ZINC001322259450 934265300 /nfs/dbraw/zinc/26/53/00/934265300.db2.gz XJJWANDISOUTDK-UKRRQHHQSA-N 1 1 292.423 3.094 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1OC(F)F)CC1CC1 ZINC001322948326 934351044 /nfs/dbraw/zinc/35/10/44/934351044.db2.gz JKOACICXRZKVQL-UHFFFAOYSA-N 1 1 265.303 3.133 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CC[N@H+]2CC2CCCC2)CCC1 ZINC001323303644 934382688 /nfs/dbraw/zinc/38/26/88/934382688.db2.gz TVECRTDDKUMJFF-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+](CCNC(=O)CC1CC1)C1CCCCCC1 ZINC001323705187 934420128 /nfs/dbraw/zinc/42/01/28/934420128.db2.gz OKSAGLFNACHFNP-UHFFFAOYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001323730319 934422737 /nfs/dbraw/zinc/42/27/37/934422737.db2.gz SXSPLVFQHLDUGQ-CYBMUJFWSA-N 1 1 296.754 3.025 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001323730319 934422741 /nfs/dbraw/zinc/42/27/41/934422741.db2.gz SXSPLVFQHLDUGQ-CYBMUJFWSA-N 1 1 296.754 3.025 20 30 CGEDMO C=CCO[C@H]1CC[N@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC001323731472 934422825 /nfs/dbraw/zinc/42/28/25/934422825.db2.gz WCVHOEXLVRSVCS-HOCLYGCPSA-N 1 1 261.340 3.090 20 30 CGEDMO CC[N@@H+](CCNc1ccc2cc(C#N)ccc2n1)C1CC1 ZINC001323948922 934440846 /nfs/dbraw/zinc/44/08/46/934440846.db2.gz PIMKGVIKAYJOAE-UHFFFAOYSA-N 1 1 280.375 3.003 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N(C)C1C[NH+](CC/C=C/CC)C1 ZINC001323970477 934445324 /nfs/dbraw/zinc/44/53/24/934445324.db2.gz VHBJMEHWNRKKFM-HVHJFMEUSA-N 1 1 278.440 3.088 20 30 CGEDMO Cc1nc(N2CCCCC2)sc1C=[NH+]OC1CCC1 ZINC001324248257 934475749 /nfs/dbraw/zinc/47/57/49/934475749.db2.gz YMFSQAIWWUVLHT-UHFFFAOYSA-N 1 1 279.409 3.345 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CC)CCCC1 ZINC001324550929 934522863 /nfs/dbraw/zinc/52/28/63/934522863.db2.gz YAJINFGLRBWDMN-CVEARBPZSA-N 1 1 290.451 3.208 20 30 CGEDMO C#CCOCC[N@H+](CCC)[C@@H]1CCc2ccccc21 ZINC001473123392 937793075 /nfs/dbraw/zinc/79/30/75/937793075.db2.gz AHTCMXNZWJGBHJ-QGZVFWFLSA-N 1 1 257.377 3.036 20 30 CGEDMO CCCCCCCCC[N@@H+](C)C[C@H]1CCCS1(=O)=O ZINC001473120858 937793265 /nfs/dbraw/zinc/79/32/65/937793265.db2.gz SGZQWTFWRMHIJK-OAHLLOKOSA-N 1 1 289.485 3.246 20 30 CGEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccncc1C ZINC001473131953 937793543 /nfs/dbraw/zinc/79/35/43/937793543.db2.gz QZKHJZOAWGLIDF-UHFFFAOYSA-N 1 1 277.371 3.450 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccncc1C ZINC001473131953 937793544 /nfs/dbraw/zinc/79/35/44/937793544.db2.gz QZKHJZOAWGLIDF-UHFFFAOYSA-N 1 1 277.371 3.450 20 30 CGEDMO C#CC[N@H+](C[C@H]1CC[C@@H](C(F)(F)F)O1)C1CCCCC1 ZINC001473137409 937794374 /nfs/dbraw/zinc/79/43/74/937794374.db2.gz UYKZILACBXNOQF-KGLIPLIRSA-N 1 1 289.341 3.364 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001473304818 937800911 /nfs/dbraw/zinc/80/09/11/937800911.db2.gz TXOHNPUIXNXRIT-OAHLLOKOSA-N 1 1 251.414 3.480 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@@H]1CN1CCc2ccc(C#N)cc21 ZINC001473349962 937802747 /nfs/dbraw/zinc/80/27/47/937802747.db2.gz SSCCTHMAVIAJBV-QGZVFWFLSA-N 1 1 283.419 3.184 20 30 CGEDMO C=CCC(CC=C)C(=O)NC[C@]1(C)CCC[N@H+](CCC)C1 ZINC001324936839 934874666 /nfs/dbraw/zinc/87/46/66/934874666.db2.gz QJBYWSIXYCRCMQ-SFHVURJKSA-N 1 1 292.467 3.383 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001473580912 937812773 /nfs/dbraw/zinc/81/27/73/937812773.db2.gz BGOWUBDDDPZHJU-INIZCTEOSA-N 1 1 271.791 3.427 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cnc(C(C)C)s2)C1 ZINC001325303902 934902209 /nfs/dbraw/zinc/90/22/09/934902209.db2.gz VODQCBPZPOKAIF-GFCCVEGCSA-N 1 1 266.410 3.043 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC001325325094 934904850 /nfs/dbraw/zinc/90/48/50/934904850.db2.gz BZMZXZOQQDLCBY-KSZLIROESA-N 1 1 298.430 3.122 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=C)C)C2 ZINC001325338939 934905486 /nfs/dbraw/zinc/90/54/86/934905486.db2.gz GTCPYQSTTAZAMF-XHSDSOJGSA-N 1 1 290.451 3.134 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC001473561372 937811200 /nfs/dbraw/zinc/81/12/00/937811200.db2.gz MFGZRVFQHKOLKO-KBPBESRZSA-N 1 1 267.413 3.252 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)C ZINC001325631765 934921670 /nfs/dbraw/zinc/92/16/70/934921670.db2.gz HVPPBGITZSZREY-BJWYYQGGSA-N 1 1 292.467 3.358 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](C[C@H](OC)C2CCCCC2)C1 ZINC001473581071 937812439 /nfs/dbraw/zinc/81/24/39/937812439.db2.gz HBOJXAZKSCAIGA-RDJZCZTQSA-N 1 1 263.425 3.317 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC001473659468 937814962 /nfs/dbraw/zinc/81/49/62/937814962.db2.gz HWSHWLKJVCJURS-GXTWGEPZSA-N 1 1 261.356 3.477 20 30 CGEDMO Cc1ncsc1CCC[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC001473706999 937818129 /nfs/dbraw/zinc/81/81/29/937818129.db2.gz GJZYIWGBBAGFLP-CHWSQXEVSA-N 1 1 263.410 3.008 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C2CC(C)(C)C2)CC1 ZINC001327115420 935031482 /nfs/dbraw/zinc/03/14/82/935031482.db2.gz RDHZZIVJIHVKLN-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CCC[N@H+](CC2CC(C)C2)CC1 ZINC001327148149 935036959 /nfs/dbraw/zinc/03/69/59/935036959.db2.gz QIPDJTSRZWGXCM-JCYILVPMSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+](C)CCCN(C)C(=O)[C@H]1CCC=CCCC1 ZINC001327225096 935045825 /nfs/dbraw/zinc/04/58/25/935045825.db2.gz LRXIKEZNNYTCAJ-INIZCTEOSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)CCC(=C)C)cc2C1 ZINC001327685492 935076787 /nfs/dbraw/zinc/07/67/87/935076787.db2.gz OLRZZPBOIICQDO-UHFFFAOYSA-N 1 1 284.403 3.161 20 30 CGEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)CCC(=C)C)cc2C1 ZINC001327685492 935076791 /nfs/dbraw/zinc/07/67/91/935076791.db2.gz OLRZZPBOIICQDO-UHFFFAOYSA-N 1 1 284.403 3.161 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](CN2CC[C@H](c3ccccc3)C2=O)C1 ZINC001327701747 935079691 /nfs/dbraw/zinc/07/96/91/935079691.db2.gz ZHZVBAKWGZEZDZ-FUHWJXTLSA-N 1 1 298.430 3.248 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)CCCC#CC)C[C@H]1C ZINC001328268870 935126976 /nfs/dbraw/zinc/12/69/76/935126976.db2.gz VSQKBYGTTHAYLE-SJORKVTESA-N 1 1 290.451 3.115 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C2(CCCC)CC2)C[C@@H]1C ZINC001328282763 935127854 /nfs/dbraw/zinc/12/78/54/935127854.db2.gz ZHXRLSWTXWQIFA-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@H+](CC)CC1CCN(C(=O)[C@@H](C)C2CC2)CC1 ZINC001328575236 935148944 /nfs/dbraw/zinc/14/89/44/935148944.db2.gz VYZIBZLHTCHFRB-HNNXBMFYSA-N 1 1 292.467 3.169 20 30 CGEDMO C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C)C(CC)CC ZINC001328733256 935164522 /nfs/dbraw/zinc/16/45/22/935164522.db2.gz NETULCWHNOGDPK-DOTOQJQBSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C/C(C)=C/CC(=O)N1CCC[C@@H]1C[N@@H+](C)CCC(=C)C ZINC001328751776 935166315 /nfs/dbraw/zinc/16/63/15/935166315.db2.gz AROURTRKVGNANP-JDZKTDJGSA-N 1 1 290.451 3.398 20 30 CGEDMO C=C/C(C)=C\CC(=O)N1CCC[C@H]1C[N@@H+](C)CCC(=C)C ZINC001328751778 935166483 /nfs/dbraw/zinc/16/64/83/935166483.db2.gz AROURTRKVGNANP-STKCSNAVSA-N 1 1 290.451 3.398 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)CC(C)(C)C1CC1 ZINC001329431787 935215989 /nfs/dbraw/zinc/21/59/89/935215989.db2.gz OQTPNUJZGBZVLK-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)CNC(=O)c1ccc(C2CCC2)cc1 ZINC001329459777 935218430 /nfs/dbraw/zinc/21/84/30/935218430.db2.gz LWRKBLNZNJNNFT-AWEZNQCLSA-N 1 1 286.419 3.190 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)C[C@H]1C=CCCC1 ZINC001329476306 935219495 /nfs/dbraw/zinc/21/94/95/935219495.db2.gz YZMWORFNQCYPMK-CVEARBPZSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)C(C1CCC1)C1CCC1 ZINC001329516130 935223813 /nfs/dbraw/zinc/22/38/13/935223813.db2.gz QNQCBPYJNBUSTN-CQSZACIVSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)CC(C)=C(C)C ZINC001329525995 935224203 /nfs/dbraw/zinc/22/42/03/935224203.db2.gz YXCNUYSKDVQCIS-OAHLLOKOSA-N 1 1 266.429 3.136 20 30 CGEDMO C=CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)CCC=C ZINC001329909979 935254071 /nfs/dbraw/zinc/25/40/71/935254071.db2.gz XZETUMSVEXFHPF-MRXNPFEDSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)C)C(C)(C)C1 ZINC001330245911 935279909 /nfs/dbraw/zinc/27/99/09/935279909.db2.gz ZMCARCOWVHCXDT-ZIAGYGMSSA-N 1 1 280.456 3.214 20 30 CGEDMO CC(C)(C)[N@@H+]1CC[C@H]1CNC1CC(C#N)(c2ccccc2)C1 ZINC001330317376 935285282 /nfs/dbraw/zinc/28/52/82/935285282.db2.gz FHIXEHWNWJHDHW-HFCFLWKCSA-N 1 1 297.446 3.073 20 30 CGEDMO CC(C)(C)[N@H+]1CC[C@H]1CNC1CC(C#N)(c2ccccc2)C1 ZINC001330317376 935285287 /nfs/dbraw/zinc/28/52/87/935285287.db2.gz FHIXEHWNWJHDHW-HFCFLWKCSA-N 1 1 297.446 3.073 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CCc2cc(C(C)(C)C)ccc2C1 ZINC001330551979 935296369 /nfs/dbraw/zinc/29/63/69/935296369.db2.gz ZYMGHRZSEOTHOU-QGZVFWFLSA-N 1 1 273.420 3.279 20 30 CGEDMO CC(C)(CF)[NH2+]Cc1cc(C#N)ccc1Br ZINC001332314080 935458764 /nfs/dbraw/zinc/45/87/64/935458764.db2.gz FCAIIRYPFGOWOJ-UHFFFAOYSA-N 1 1 285.160 3.158 20 30 CGEDMO C=C(C)CCC(=O)N[C@@]12CCC[C@H]1[N@@H+](CC(=C)C)CC2 ZINC001332090676 935438211 /nfs/dbraw/zinc/43/82/11/935438211.db2.gz MUMCSFGMSLZYJO-NVXWUHKLSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)/C(C)=C\CC)[C@H]1C ZINC001332166520 935444988 /nfs/dbraw/zinc/44/49/88/935444988.db2.gz RHBGDXMMIRSRJU-NBWJXOEWSA-N 1 1 278.440 3.278 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1CCC[N@H+](CC/C=C\CC)[C@H]1C ZINC001332177794 935446502 /nfs/dbraw/zinc/44/65/02/935446502.db2.gz PXRJBFYIXJVWBY-YSNMCSLZSA-N 1 1 290.451 3.115 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)CCN(C(=O)/C(C)=C/C)C(C)C ZINC001332698092 935482827 /nfs/dbraw/zinc/48/28/27/935482827.db2.gz FMOHWZCGQXTGBZ-HTRKUNOGSA-N 1 1 280.456 3.476 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)C[C@@H]1CCC[C@H]1C)C(C)C ZINC001332707290 935483337 /nfs/dbraw/zinc/48/33/37/935483337.db2.gz LKAVVLUSSPQVMG-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO CC(C)C#CC(=O)N(CC[N@@H+](C)CCC(C)(C)C)C(C)C ZINC001332707301 935483399 /nfs/dbraw/zinc/48/33/99/935483399.db2.gz LNBLMKPPXYKONM-UHFFFAOYSA-N 1 1 294.483 3.251 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)C[C@H]1CCC[C@H]1C)C(C)C ZINC001332707293 935483638 /nfs/dbraw/zinc/48/36/38/935483638.db2.gz LKAVVLUSSPQVMG-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C#CC[N@H+](C)CCN(C(=O)[C@H](C)[C@@H](C)C(C)(C)C)C(C)C ZINC001332735875 935486183 /nfs/dbraw/zinc/48/61/83/935486183.db2.gz SMZWUVAXKFLKKC-HZPDHXFCSA-N 1 1 294.483 3.107 20 30 CGEDMO CC(C)[C@]1(CO)CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC001333908961 936074647 /nfs/dbraw/zinc/07/46/47/936074647.db2.gz RZSNEUDOSIGOIU-LJQANCHMSA-N 1 1 298.430 3.082 20 30 CGEDMO C#CCOCC[N@H+](C)[C@@H](C)c1cccc2ccccc21 ZINC001336065864 936174390 /nfs/dbraw/zinc/17/43/90/936174390.db2.gz AJRRXZBXSPJYFK-HNNXBMFYSA-N 1 1 267.372 3.482 20 30 CGEDMO C#CCCCCCC[N@H+]1CCc2cc(C(=O)OC)ccc2C1 ZINC001473761774 937820885 /nfs/dbraw/zinc/82/08/85/937820885.db2.gz LLJZNZNMEQTJFI-UHFFFAOYSA-N 1 1 299.414 3.415 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC001473788567 937821992 /nfs/dbraw/zinc/82/19/92/937821992.db2.gz OQEBXAASEHKDNM-OAHLLOKOSA-N 1 1 299.414 3.487 20 30 CGEDMO CC[C@@H]([NH2+]Cc1cc(C#N)ccn1)c1cc(F)ccc1OC ZINC001473814192 937822724 /nfs/dbraw/zinc/82/27/24/937822724.db2.gz ZXFWGQOGYFMLHE-MRXNPFEDSA-N 1 1 299.349 3.342 20 30 CGEDMO C#CC[N@H+](C[C@@H](O)C(C)C)[C@H]1CCCc2ccccc21 ZINC001473825831 937823241 /nfs/dbraw/zinc/82/32/41/937823241.db2.gz GNTQRFUEBUKBMZ-ZWKOTPCHSA-N 1 1 271.404 3.016 20 30 CGEDMO C=C(C)[C@@H](CO)[N@@H+]1CC=C(c2cccc(C)c2C)CC1 ZINC001473872909 937826112 /nfs/dbraw/zinc/82/61/12/937826112.db2.gz VEWHRIWKBJGXDF-GOSISDBHSA-N 1 1 271.404 3.330 20 30 CGEDMO Cn1c[nH+]c2c1ccc1c2CCCN1CCC(C)(C)C#N ZINC001473882575 937826968 /nfs/dbraw/zinc/82/69/68/937826968.db2.gz VHAGIGIRPKDQKC-UHFFFAOYSA-N 1 1 282.391 3.266 20 30 CGEDMO CC(C)(C)[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)CCO1 ZINC001473897145 937828571 /nfs/dbraw/zinc/82/85/71/937828571.db2.gz KKXIELOIZPGMLO-KRWDZBQOSA-N 1 1 289.394 3.314 20 30 CGEDMO CC(C)(C)[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)CCO1 ZINC001473897145 937828573 /nfs/dbraw/zinc/82/85/73/937828573.db2.gz KKXIELOIZPGMLO-KRWDZBQOSA-N 1 1 289.394 3.314 20 30 CGEDMO C#CC[N@H+](C[C@@](C)(CC)OC)[C@@H]1CCc2ccccc21 ZINC001474388104 937856407 /nfs/dbraw/zinc/85/64/07/937856407.db2.gz WTJPSHKWWRQFEP-QZTJIDSGSA-N 1 1 271.404 3.424 20 30 CGEDMO C=CC[C@@H]1[N@H+](Cc2ccc(=O)[nH]c2)CCCC1(C)C ZINC001474482148 937862450 /nfs/dbraw/zinc/86/24/50/937862450.db2.gz RBIZMSLQHNRHNA-AWEZNQCLSA-N 1 1 260.381 3.354 20 30 CGEDMO C=CCC[C@H]([NH2+]C1CCC(C)CC1)C(=O)OCC ZINC001474528479 937864827 /nfs/dbraw/zinc/86/48/27/937864827.db2.gz NWVYPTUPULSWIM-RUXDESIVSA-N 1 1 253.386 3.053 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)NCC[N@H+](C)[C@@H](C)CC ZINC001477765919 937898009 /nfs/dbraw/zinc/89/80/09/937898009.db2.gz WHRYLGCLCAMECT-AWEZNQCLSA-N 1 1 283.460 3.008 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(F)CCCCC1 ZINC001479253852 937918428 /nfs/dbraw/zinc/91/84/28/937918428.db2.gz DFDUGBKNJWALMC-OAHLLOKOSA-N 1 1 296.430 3.158 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCNC(=O)[C@H]1C[C@H]1C1CCCC1 ZINC001479805876 937926270 /nfs/dbraw/zinc/92/62/70/937926270.db2.gz MOQOOAKWJAPEOR-GJZGRUSLSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCNC(=O)[C@H]1C[C@H]1C1CCCC1 ZINC001479805876 937926272 /nfs/dbraw/zinc/92/62/72/937926272.db2.gz MOQOOAKWJAPEOR-GJZGRUSLSA-N 1 1 298.858 3.003 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](F)C(C)C)C1 ZINC001479908039 937928979 /nfs/dbraw/zinc/92/89/79/937928979.db2.gz CKGFKEMQUMRHTO-CVEARBPZSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)C(C)(C)C2CC2)C1 ZINC001479909160 937929175 /nfs/dbraw/zinc/92/91/75/937929175.db2.gz SAHCMRKNUDAJCQ-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)C2(F)CCCC2)C1 ZINC001479957299 937929493 /nfs/dbraw/zinc/92/94/93/937929493.db2.gz SDCNDIXFVSXHKH-OAHLLOKOSA-N 1 1 296.430 3.206 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)C2CCC2)C1 ZINC001479955847 937929904 /nfs/dbraw/zinc/92/99/04/937929904.db2.gz IAWOAGAMGCTWIB-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H](C[N@H+](C)C[C@H](C)CC)C1 ZINC001480081829 937931930 /nfs/dbraw/zinc/93/19/30/937931930.db2.gz LUFUETTYIVZCGG-CVEARBPZSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCCCCC)C1 ZINC001480189710 937933812 /nfs/dbraw/zinc/93/38/12/937933812.db2.gz QZEGONGDKBAQOI-DLBZAZTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]2C[N@@H+](CCCCC)CC[C@@H]21 ZINC001480186611 937934117 /nfs/dbraw/zinc/93/41/17/937934117.db2.gz NZIDVPVYZRGWNM-SJORKVTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)C(C)(C)C)C1 ZINC001480256409 937934932 /nfs/dbraw/zinc/93/49/32/937934932.db2.gz FDOINSQLFSCWSO-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1 ZINC001480717920 937942487 /nfs/dbraw/zinc/94/24/87/937942487.db2.gz YCILARVTTJRWKM-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1ccsc1 ZINC001493073868 937946840 /nfs/dbraw/zinc/94/68/40/937946840.db2.gz LHEMLUZQAFYGOM-DZGCQCFKSA-N 1 1 292.448 3.297 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@@]1(C)CC=CCC1 ZINC001493109116 937947297 /nfs/dbraw/zinc/94/72/97/937947297.db2.gz SKZXMCNMWFFBLX-WMZOPIPTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCC[N@H+]1CCC1CCCC1 ZINC001493083863 937947413 /nfs/dbraw/zinc/94/74/13/937947413.db2.gz KKMYPWJMJFCCKI-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)CC(C)(C)CC ZINC001493109836 937947585 /nfs/dbraw/zinc/94/75/85/937947585.db2.gz XGRBTZGAEMMOLH-CYBMUJFWSA-N 1 1 286.847 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)CC(C)(C)CC ZINC001493109836 937947587 /nfs/dbraw/zinc/94/75/87/937947587.db2.gz XGRBTZGAEMMOLH-CYBMUJFWSA-N 1 1 286.847 3.146 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2ccsc2)C1 ZINC001493177368 937948202 /nfs/dbraw/zinc/94/82/02/937948202.db2.gz YHWPDVZRVKKGDZ-ZIAGYGMSSA-N 1 1 292.448 3.155 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@H]2CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001493239207 937948580 /nfs/dbraw/zinc/94/85/80/937948580.db2.gz YIUPDKXZDJKGOT-OAHLLOKOSA-N 1 1 292.467 3.217 20 30 CGEDMO CC#CC[N@@H+](CCC)CCNC(=O)C(C)(C)C1CCCC1 ZINC001493297544 937949025 /nfs/dbraw/zinc/94/90/25/937949025.db2.gz VAKKMAGZZRVALC-UHFFFAOYSA-N 1 1 292.467 3.054 20 30 CGEDMO CCCN(C(=O)C#CC(C)(C)C)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001493953044 937952359 /nfs/dbraw/zinc/95/23/59/937952359.db2.gz XXFQOMCKTOPVGC-INIZCTEOSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)C2(CCF)CC2)C1 ZINC001493964375 937952556 /nfs/dbraw/zinc/95/25/56/937952556.db2.gz KWAPNPOHEWOOFF-OAHLLOKOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H](C)C2CCC2)C1 ZINC001493956701 937952634 /nfs/dbraw/zinc/95/26/34/937952634.db2.gz NVVHEOOLBAFLOA-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](CCNC(=O)CC(C)(C)C2CC2)C1 ZINC001494014657 937953067 /nfs/dbraw/zinc/95/30/67/937953067.db2.gz XOZULCSQVGNRJS-OAHLLOKOSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H](C)C(C)(C)C)C1 ZINC001494027609 937953116 /nfs/dbraw/zinc/95/31/16/937953116.db2.gz GGNMZXCOOCNPSB-LSDHHAIUSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)/C=C(/C)CC)C1 ZINC001494134425 937953313 /nfs/dbraw/zinc/95/33/13/937953313.db2.gz ZBCKZIPZGZGYIT-RTYFKUQISA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCCC(=O)N1CC[C@@H](C[N@H+](C)CC/C=C\CC)C1 ZINC001494117943 937953388 /nfs/dbraw/zinc/95/33/88/937953388.db2.gz BBHPNJIWFIVPIJ-IOBAAEILSA-N 1 1 278.440 3.089 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1CCC[N@@H+](CC=C(C)C)C1 ZINC001494281786 937953927 /nfs/dbraw/zinc/95/39/27/937953927.db2.gz CRKDBGMUACRRIW-HZPDHXFCSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[C@@H](C)[NH+]1CC(NC(=O)c2sccc2Cl)C1 ZINC001494386638 937954613 /nfs/dbraw/zinc/95/46/13/937954613.db2.gz AXLLOLMZJVMPIW-SNVBAGLBSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CCC[C@H](C)[NH+]1CC(NC(=O)c2sccc2Cl)C1 ZINC001494386633 937954662 /nfs/dbraw/zinc/95/46/62/937954662.db2.gz AXLLOLMZJVMPIW-JTQLQIEISA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@H+](CC(CC)CC)C1 ZINC001494756221 937955893 /nfs/dbraw/zinc/95/58/93/937955893.db2.gz MWYCAESTZQUFES-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](CCC)CC(C)C)C1 ZINC001494873406 937957065 /nfs/dbraw/zinc/95/70/65/937957065.db2.gz AXDKBAFBCSCZLD-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C[C@H](CC)CC(=O)N(CC)[C@H]1CC[N@H+](C/C=C/Cl)C1 ZINC001494911405 937957336 /nfs/dbraw/zinc/95/73/36/937957336.db2.gz UNKBZSIUZMIWNC-MMCPSDEHSA-N 1 1 298.858 3.264 20 30 CGEDMO C=C[C@H](CC)CC(=O)N(CC)[C@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC001494911405 937957337 /nfs/dbraw/zinc/95/73/37/937957337.db2.gz UNKBZSIUZMIWNC-MMCPSDEHSA-N 1 1 298.858 3.264 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](N(CC)C(=O)C[C@H](CC)CCCC)C1 ZINC001494904162 937957427 /nfs/dbraw/zinc/95/74/27/937957427.db2.gz CQNGGEXXXCHOFV-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C3CC3)CC[C@H]21 ZINC001496848955 937964484 /nfs/dbraw/zinc/96/44/84/937964484.db2.gz AFMXCMOUESYSLT-IAGOWNOFSA-N 1 1 292.467 3.290 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]2CN(C(=O)C3CC3)CC[C@H]21 ZINC001496848954 937964511 /nfs/dbraw/zinc/96/45/11/937964511.db2.gz AFMXCMOUESYSLT-DLBZAZTESA-N 1 1 292.467 3.290 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C3(CC)CC3)CC[C@@H]21 ZINC001496863965 937964620 /nfs/dbraw/zinc/96/46/20/937964620.db2.gz RBQPAADWNQKHBD-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC2(CC2)C1 ZINC001498284765 937968851 /nfs/dbraw/zinc/96/88/51/937968851.db2.gz YDULUAZAUDXEFC-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C#Cc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)[C@@H](C)CCC=C)cc1 ZINC001498355268 937969220 /nfs/dbraw/zinc/96/92/20/937969220.db2.gz HYMVMTSMFKCJHV-HOTGVXAUSA-N 1 1 298.430 3.073 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1CC[N@H+]1CCCC1CCC1 ZINC001498986894 937971700 /nfs/dbraw/zinc/97/17/00/937971700.db2.gz SEQBADSEGYMEPW-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@H]1CC[N@H+]1CCCC1CCC1 ZINC001498986895 937971851 /nfs/dbraw/zinc/97/18/51/937971851.db2.gz SEQBADSEGYMEPW-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(Cl)s1 ZINC001499112752 937972676 /nfs/dbraw/zinc/97/26/76/937972676.db2.gz RHIOIMJSATYDMB-NSHDSACASA-N 1 1 298.839 3.172 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC ZINC001499496820 937973467 /nfs/dbraw/zinc/97/34/67/937973467.db2.gz AZLVIEMUCGURRF-OAGGEKHMSA-N 1 1 278.440 3.207 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC[C@@]2(CC[N@@H+](CC(=C)C)C2)C1 ZINC001499614877 937973975 /nfs/dbraw/zinc/97/39/75/937973975.db2.gz VAIWRDOHPBOXMY-FUHWJXTLSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@H](C)CC(C)C)C2)C1 ZINC001499615694 937974041 /nfs/dbraw/zinc/97/40/41/937974041.db2.gz GENGXTBBLNLEBB-SJLPKXTDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCCC)C2)C1 ZINC001499563506 937974078 /nfs/dbraw/zinc/97/40/78/937974078.db2.gz JDFAWLHXJQHXJZ-GOSISDBHSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@]2(C1)CCCCN(C(C)=O)C2 ZINC001500154455 937976066 /nfs/dbraw/zinc/97/60/66/937976066.db2.gz KDJSGZZPCKWUCQ-DOTOQJQBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)C[C@@H]2C=CCC2)C1 ZINC001500475866 937977677 /nfs/dbraw/zinc/97/76/77/937977677.db2.gz XDHFEVSEOCTTQX-SJLPKXTDSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)c2ccco2)CC1 ZINC001502105217 937981017 /nfs/dbraw/zinc/98/10/17/937981017.db2.gz QOLKTIMLGUESCF-CABCVRRESA-N 1 1 290.407 3.219 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](CC)C(C)C)CC1 ZINC001502142803 937981480 /nfs/dbraw/zinc/98/14/80/937981480.db2.gz JZBGVHYHEVYHCN-HZPDHXFCSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)C(C)(C)C(C)(F)F ZINC001502393854 937982413 /nfs/dbraw/zinc/98/24/13/937982413.db2.gz HOLLUUNHWDRFBG-UHFFFAOYSA-N 1 1 290.398 3.024 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@H+](CC[C@H](C)F)CC1(C)C ZINC001502832776 937983690 /nfs/dbraw/zinc/98/36/90/937983690.db2.gz YTZZWJICNHLXDS-GJZGRUSLSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CCCC(=O)N1CCC(C[N@@H+](CC)CC=C(C)C)CC1 ZINC001505394920 937984922 /nfs/dbraw/zinc/98/49/22/937984922.db2.gz SJLPTNYTXNYOJC-UHFFFAOYSA-N 1 1 292.467 3.479 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]1C[N@H+](C)C[C@H](F)CC ZINC001505432144 937985309 /nfs/dbraw/zinc/98/53/09/937985309.db2.gz GVCXTEWRNVCHJX-CABCVRRESA-N 1 1 284.419 3.014 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)CC ZINC001505443023 937985387 /nfs/dbraw/zinc/98/53/87/937985387.db2.gz CLAFIDDXNJJPGX-CYBMUJFWSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)CC ZINC001505443023 937985388 /nfs/dbraw/zinc/98/53/88/937985388.db2.gz CLAFIDDXNJJPGX-CYBMUJFWSA-N 1 1 286.847 3.098 20 30 CGEDMO C=CCCCC(=O)N1CCC([C@H]2CCC[N@H+](CC)C2)CC1 ZINC001505475001 937985761 /nfs/dbraw/zinc/98/57/61/937985761.db2.gz HNOFOSHGKSWXHX-KRWDZBQOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)c1cc2ccccc2o1 ZINC001506049407 937989033 /nfs/dbraw/zinc/98/90/33/937989033.db2.gz AJOYIWRGMRQHDV-ZDUSSCGKSA-N 1 1 286.375 3.059 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@H](C)CCC ZINC001506560292 937990723 /nfs/dbraw/zinc/99/07/23/937990723.db2.gz HZAHGYRFNONXGO-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)C(C)C ZINC001506562178 937990755 /nfs/dbraw/zinc/99/07/55/937990755.db2.gz JIHKCLLSMYYWQN-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)C1(C)CCC1 ZINC001506569641 937990956 /nfs/dbraw/zinc/99/09/56/937990956.db2.gz HLYBDGPTSGFVBK-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)/C=C(/C)CC)C[C@@]2(C)C1 ZINC001506867400 937992089 /nfs/dbraw/zinc/99/20/89/937992089.db2.gz LQQKBBVUNIBLJP-OQVUYUMZSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)C2CC3(CC3)C2)CC1 ZINC001506963306 937993352 /nfs/dbraw/zinc/99/33/52/937993352.db2.gz MPRKIEFLWQFWKE-UHFFFAOYSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC([N@@H+](C)CCC(=C)C)CC1 ZINC001506961025 937993398 /nfs/dbraw/zinc/99/33/98/937993398.db2.gz OOEDDTOHCIZJTC-GOSISDBHSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@]2(NC(=O)C3CCC3)CCC[C@@H]12 ZINC001507336170 937995406 /nfs/dbraw/zinc/99/54/06/937995406.db2.gz RMNGQRKXVJHLCD-YXJHDRRASA-N 1 1 290.451 3.254 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)C(CC)(CC)CC)[C@H]1C ZINC001507383275 937995856 /nfs/dbraw/zinc/99/58/56/937995856.db2.gz TUKIANIBRSQRSD-HZPDHXFCSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)C[C@@H]1CC=CCC1)C(C)C ZINC001507823465 937996974 /nfs/dbraw/zinc/99/69/74/937996974.db2.gz SYEOZOIAQXWAPF-MRXNPFEDSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)[C@@H]1C[C@H]1CC(C)(C)C)C(C)C ZINC001507802154 937997039 /nfs/dbraw/zinc/99/70/39/937997039.db2.gz PUPCXQVFRBMAMU-JKSUJKDBSA-N 1 1 294.483 3.414 20 30 CGEDMO C=CCC(C)(C)C(=O)NCC1=CC[N@H+](C/C=C/Cl)CC1 ZINC001508223209 937998860 /nfs/dbraw/zinc/99/88/60/937998860.db2.gz RAXMIGVAFKBKSS-WEVVVXLNSA-N 1 1 296.842 3.090 20 30 CGEDMO C=CCC(C)(C)C(=O)NCC1=CC[N@@H+](C/C=C/Cl)CC1 ZINC001508223209 937998861 /nfs/dbraw/zinc/99/88/61/937998861.db2.gz RAXMIGVAFKBKSS-WEVVVXLNSA-N 1 1 296.842 3.090 20 30 CGEDMO C=C1CCC(C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001542262635 938135469 /nfs/dbraw/zinc/13/54/69/938135469.db2.gz QLOLEEXSINWCTG-OWCLPIDISA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[C@H](C(=O)OC)[N@H+](CC)Cc1cccc(Cl)c1 ZINC001559485610 938227406 /nfs/dbraw/zinc/22/74/06/938227406.db2.gz MBATUZRDCNAVNG-CQSZACIVSA-N 1 1 281.783 3.280 20 30 CGEDMO C=CC[C@H](C(=O)OC)[N@@H+](CC)Cc1cccc(Cl)c1 ZINC001559485610 938227407 /nfs/dbraw/zinc/22/74/07/938227407.db2.gz MBATUZRDCNAVNG-CQSZACIVSA-N 1 1 281.783 3.280 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CC[C@H](c2ccc(OC)cc2)C1 ZINC001559517350 938228107 /nfs/dbraw/zinc/22/81/07/938228107.db2.gz PCJYSUDISNDRSS-HOCLYGCPSA-N 1 1 257.377 3.286 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001559519256 938228149 /nfs/dbraw/zinc/22/81/49/938228149.db2.gz XKKGLIGOGXFQQF-LSDHHAIUSA-N 1 1 294.439 3.025 20 30 CGEDMO C[C@@H](CC#N)[N@@H+](C)CCCCCCNC(=O)OC(C)(C)C ZINC001559647917 938231873 /nfs/dbraw/zinc/23/18/73/938231873.db2.gz SHCNLYRHLJVEGZ-AWEZNQCLSA-N 1 1 297.443 3.305 20 30 CGEDMO CC[C@H]([NH2+]Cc1cc(C#N)ccn1)c1cc(F)ccc1F ZINC001559693956 938232990 /nfs/dbraw/zinc/23/29/90/938232990.db2.gz VHTJRKIFEHTZRO-INIZCTEOSA-N 1 1 287.313 3.472 20 30 CGEDMO C#CCC[NH+]1CCN(Cc2c(C)ccc3ccccc32)CC1 ZINC001559722207 938233789 /nfs/dbraw/zinc/23/37/89/938233789.db2.gz MTFXMMVMUWSLPW-UHFFFAOYSA-N 1 1 292.426 3.289 20 30 CGEDMO C=CCN(C)CC[N@@H+](CC)CCCc1ccc(C)cc1 ZINC001559796955 938236173 /nfs/dbraw/zinc/23/61/73/938236173.db2.gz BXBKSHKFATXFPZ-UHFFFAOYSA-N 1 1 274.452 3.367 20 30 CGEDMO COC[C@H](C[N@@H+](C)[C@H](C)c1cccc(C#N)c1)C(C)C ZINC001559930643 938239430 /nfs/dbraw/zinc/23/94/30/938239430.db2.gz BLGDRJAYMSDPII-PBHICJAKSA-N 1 1 274.408 3.470 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CCCCC3)C1 ZINC001559947313 938239689 /nfs/dbraw/zinc/23/96/89/938239689.db2.gz PPKORDNZLMKLJA-HZPDHXFCSA-N 1 1 261.409 3.071 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](CCOCc2ccc(OC)cc2)C1 ZINC001559983271 938240994 /nfs/dbraw/zinc/24/09/94/938240994.db2.gz LZBLTVCJPTVXCT-INIZCTEOSA-N 1 1 289.419 3.500 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](C[C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001559983265 938241011 /nfs/dbraw/zinc/24/10/11/938241011.db2.gz LUEFRNZRPWWGKL-KBPBESRZSA-N 1 1 282.428 3.188 20 30 CGEDMO C#CCCCCCC[N@H+]1C[C@H]2COC[C@@]2(c2ccccc2)C1 ZINC001560135433 938244861 /nfs/dbraw/zinc/24/48/61/938244861.db2.gz PBNHFJOLDOPANG-VQTJNVASSA-N 1 1 297.442 3.470 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1ccc([Si](C)(C)C)cc1 ZINC001560206232 938246952 /nfs/dbraw/zinc/24/69/52/938246952.db2.gz SXKPZISPUOBYTC-OAHLLOKOSA-N 1 1 259.469 3.382 20 30 CGEDMO C#C[C@H]1CCCC[N@@H+]1C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC001560209649 938247243 /nfs/dbraw/zinc/24/72/43/938247243.db2.gz UHPSBSGDLIDNAJ-LSDHHAIUSA-N 1 1 297.320 3.227 20 30 CGEDMO CC(C)(C)[C@@H]1CC[N@@H+](CCC(C)(C)C#N)CCO1 ZINC001560236637 938248455 /nfs/dbraw/zinc/24/84/55/938248455.db2.gz UFLSFBIEROMLSZ-ZDUSSCGKSA-N 1 1 252.402 3.063 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1c(C)nn(C(C)(C)C)c1C ZINC001560348678 938254288 /nfs/dbraw/zinc/25/42/88/938254288.db2.gz JBZFVJJVPFEWIX-UHFFFAOYSA-N 1 1 255.793 3.097 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C)c(OC)n1)C1CCCCC1 ZINC001560657536 938268494 /nfs/dbraw/zinc/26/84/94/938268494.db2.gz QDWCNNOEBQUCEO-UHFFFAOYSA-N 1 1 272.392 3.167 20 30 CGEDMO C#Cc1ccc(C[N@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)cc1 ZINC001560841123 938278852 /nfs/dbraw/zinc/27/88/52/938278852.db2.gz JNNNLDXKWVOHFY-ROUUACIJSA-N 1 1 251.373 3.288 20 30 CGEDMO COc1ccc(F)cc1C[N@@H+](C)CCc1cccc(C#N)c1 ZINC001560976987 938287302 /nfs/dbraw/zinc/28/73/02/938287302.db2.gz WZPKZAWNEDUAIL-UHFFFAOYSA-N 1 1 298.361 3.380 20 30 CGEDMO C=C(C)C[C@@H]([NH2+][C@@H](CC)CCCC)C(=O)OCC ZINC001560987066 938288186 /nfs/dbraw/zinc/28/81/86/938288186.db2.gz PRZGCNWSFREOBP-UONOGXRCSA-N 1 1 255.402 3.443 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)CC2=CCCCC2)C1 ZINC001494807682 957851412 /nfs/dbraw/zinc/85/14/12/957851412.db2.gz OYWIWAMNUFYSQY-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C[C@H](c1ccccc1)[N@@H+](C[C@H](O)CC#N)C1CCCC1 ZINC000930435683 958801724 /nfs/dbraw/zinc/80/17/24/958801724.db2.gz QXYDTYWLYVYNJW-RHSMWYFYSA-N 1 1 272.392 3.267 20 30 CGEDMO N#Cc1ccc2c(c1)CCN(c1ccc3c([nH+]1)CCCC3)C2 ZINC001164482023 958841579 /nfs/dbraw/zinc/84/15/79/958841579.db2.gz PEPFOBDRDMGDEW-UHFFFAOYSA-N 1 1 289.382 3.395 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](CC/C=C/CC)C1 ZINC001317139661 960430907 /nfs/dbraw/zinc/43/09/07/960430907.db2.gz PPAOHYAJMZBJHW-WAVCKPEOSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCCC(=O)NCC[N@H+](C)[C@@H](CC)c1ccc(F)cc1 ZINC001317440802 960435600 /nfs/dbraw/zinc/43/56/00/960435600.db2.gz PVFGJGNPKCMLBC-INIZCTEOSA-N 1 1 292.398 3.291 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)C1(C)CCCCCC1 ZINC001569361215 960449866 /nfs/dbraw/zinc/44/98/66/960449866.db2.gz LNUQGIRCBIWBEM-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)C1(C)CCCCCC1 ZINC001569361215 960449876 /nfs/dbraw/zinc/44/98/76/960449876.db2.gz LNUQGIRCBIWBEM-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)SC ZINC001570818661 960457575 /nfs/dbraw/zinc/45/75/75/960457575.db2.gz WXRWJMABUUNUAK-LSDHHAIUSA-N 1 1 298.496 3.065 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)CC1=CCCCC1 ZINC001570701632 960459199 /nfs/dbraw/zinc/45/91/99/960459199.db2.gz BYTDOJHKBOERKG-HNNXBMFYSA-N 1 1 278.440 3.280 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)c1ccc(C)s1 ZINC001570523569 960460154 /nfs/dbraw/zinc/46/01/54/960460154.db2.gz JOMVGMGGZQSTLF-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[N@H+](CC(=C)C)CC(C)(C)C1 ZINC001566128218 960557987 /nfs/dbraw/zinc/55/79/87/960557987.db2.gz OPZVXOVYPAZMCA-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](CC)CCCCCC)C1 ZINC001567919384 960602426 /nfs/dbraw/zinc/60/24/26/960602426.db2.gz ZTOMJZSDQOVNND-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)CC[N@H+]1CCC2(CN(C(=O)C3(C)CCCC3)C2)C1 ZINC001565499379 960787593 /nfs/dbraw/zinc/78/75/93/960787593.db2.gz XMALDOXZMQNAEZ-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC1CCCCC1 ZINC001565833190 960829519 /nfs/dbraw/zinc/82/95/19/960829519.db2.gz LFSQIXCFPNSDGM-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C[C@H](CC)CC(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCCC1 ZINC001565825459 960834805 /nfs/dbraw/zinc/83/48/05/960834805.db2.gz VEWUKQSWLNOCRI-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2CCC)[C@H]1CC ZINC001566021791 960868010 /nfs/dbraw/zinc/86/80/10/960868010.db2.gz PVGZFYMXJLKKLX-WCXIOVBPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)C(C)(C)C)CC(C)(C)C1 ZINC001566129978 960888858 /nfs/dbraw/zinc/88/88/58/960888858.db2.gz MKPARMLWNHAUGE-HUUCEWRRSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)/C=C(/C)C2CC2)CC(C)(C)C1 ZINC001566128580 960891416 /nfs/dbraw/zinc/89/14/16/960891416.db2.gz WFRZJKHWNGFWOA-SYCZXOQXSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001566457077 960938770 /nfs/dbraw/zinc/93/87/70/960938770.db2.gz RXPPYPGSTXZITE-LSDHHAIUSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCC[N@@H+](C)CCCNC(=O)[C@H]1CC2CCC1CC2 ZINC001566520109 960953737 /nfs/dbraw/zinc/95/37/37/960953737.db2.gz QVWMTGBPIBPLHU-JCYILVPMSA-N 1 1 292.467 3.217 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC)CCCCC)C1 ZINC001566633480 960969184 /nfs/dbraw/zinc/96/91/84/960969184.db2.gz PGTJNCMDHJAIGO-IRXDYDNUSA-N 1 1 292.467 3.197 20 30 CGEDMO C#CCCCCC(=O)N[C@H]1CC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC001566659417 960970571 /nfs/dbraw/zinc/97/05/71/960970571.db2.gz ABNFYNXNXCXTKB-IRXDYDNUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CCC[N@H+](CCCCC)C1 ZINC001566628849 960976758 /nfs/dbraw/zinc/97/67/58/960976758.db2.gz IWFAWBSFKYJOAZ-HNNXBMFYSA-N 1 1 266.429 3.114 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)C)C1 ZINC001566737212 961000498 /nfs/dbraw/zinc/00/04/98/961000498.db2.gz YWSFRFYBCDUMDH-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C ZINC001566756183 961004989 /nfs/dbraw/zinc/00/49/89/961004989.db2.gz HMHBEDXMIYBZKZ-IYBDPMFKSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC2(C)C)C1 ZINC001566742614 961011629 /nfs/dbraw/zinc/01/16/29/961011629.db2.gz ZKGIESGDDFHVJM-HZPDHXFCSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@H]2CCCC[N@@H+]2CC=C(C)C)C1 ZINC001566925903 961063340 /nfs/dbraw/zinc/06/33/40/961063340.db2.gz RUITWXDSZGRGGB-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]([N@H+](C)CC(CC)CC)C1 ZINC001567188672 961129798 /nfs/dbraw/zinc/12/97/98/961129798.db2.gz RRLBXMJUIUCWIE-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1CCCNC(=O)C1CCCCC1 ZINC001567243544 961153861 /nfs/dbraw/zinc/15/38/61/961153861.db2.gz LMBJMIOTAUGCDX-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)c1sccc1F ZINC001567331601 961291297 /nfs/dbraw/zinc/29/12/97/961291297.db2.gz CAPLZPZZXNZHGT-LBPRGKRZSA-N 1 1 298.427 3.294 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)C1(C)C(C)(C)C1(C)C ZINC001567387203 961304498 /nfs/dbraw/zinc/30/44/98/961304498.db2.gz VRANPINWJMYUFX-AWEZNQCLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C)s2)C1 ZINC001567389376 961307324 /nfs/dbraw/zinc/30/73/24/961307324.db2.gz PEHJBALWNFNICF-AWEZNQCLSA-N 1 1 292.448 3.074 20 30 CGEDMO C=C(C)CC[N@H+](CCNC(=O)[C@@]1(C)CCC[C@@H]1C)C1CC1 ZINC001567449487 961354515 /nfs/dbraw/zinc/35/45/15/961354515.db2.gz ZOLDUICOZWMWOL-YJBOKZPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+](CCNC(=O)[C@@]1(C)CCC[C@H]1C)C1CC1 ZINC001567449486 961355053 /nfs/dbraw/zinc/35/50/53/961355053.db2.gz ZOLDUICOZWMWOL-QAPCUYQASA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+](CCNC(=O)[C@H](C)c1ccsc1)C1CC1 ZINC001567449448 961355802 /nfs/dbraw/zinc/35/58/02/961355802.db2.gz YIFYHZQKNGSADY-CYBMUJFWSA-N 1 1 292.448 3.008 20 30 CGEDMO C#CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H](CCC)C(C)C)C1 ZINC001567688165 961388927 /nfs/dbraw/zinc/38/89/27/961388927.db2.gz IXLIITYZJSBZOX-DLBZAZTESA-N 1 1 292.467 3.005 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H](CCC)C(C)C)C1 ZINC001567688165 961388939 /nfs/dbraw/zinc/38/89/39/961388939.db2.gz IXLIITYZJSBZOX-DLBZAZTESA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)C(C)=C2CCC2)C1 ZINC001567700224 961403266 /nfs/dbraw/zinc/40/32/66/961403266.db2.gz XCHFEHRVIMJPNA-INIZCTEOSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@@H](C[N@H+](C)CC(C)C)C1 ZINC001567729689 961417873 /nfs/dbraw/zinc/41/78/73/961417873.db2.gz LWGNIKRWDNNGEM-HNNXBMFYSA-N 1 1 280.456 3.025 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)CC2(C)CCCC2)C1 ZINC001567727462 961418783 /nfs/dbraw/zinc/41/87/83/961418783.db2.gz JLDFGHXMZOJSDI-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@](C)(F)CCCC)C1 ZINC001567764537 961423904 /nfs/dbraw/zinc/42/39/04/961423904.db2.gz KJQJLPXNZYQLTM-GDBMZVCRSA-N 1 1 284.419 3.062 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)CC(C)C)C1 ZINC001567882502 961456319 /nfs/dbraw/zinc/45/63/19/961456319.db2.gz JZHNRGSTCLFJPU-HOTGVXAUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)CC2CCCCC2)C1 ZINC001567922245 961463839 /nfs/dbraw/zinc/46/38/39/961463839.db2.gz OYBVECUYSVNXEN-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CCC(=O)N(CC)[C@@H]1CC[N@@H+](CC[C@@H](C)F)C1 ZINC001567938979 961466878 /nfs/dbraw/zinc/46/68/78/961466878.db2.gz MMUVJOWCIXDLQG-HUUCEWRRSA-N 1 1 284.419 3.014 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)c1cc2cc(C)ccc2[nH]1 ZINC001569131431 961694877 /nfs/dbraw/zinc/69/48/77/961694877.db2.gz PXUZNTJTUGXOMF-CQSZACIVSA-N 1 1 299.418 3.103 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H](C)C[N@H+](C)CCC(C)C ZINC001569118265 961695071 /nfs/dbraw/zinc/69/50/71/961695071.db2.gz BVJHYTGVMGUPRE-CQSZACIVSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CC[N@H+]1CC/C=C\c1ccccc1 ZINC001569350699 961741073 /nfs/dbraw/zinc/74/10/73/961741073.db2.gz OPCJDIJITDIDFS-VTSXBNNFSA-N 1 1 298.430 3.247 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]1CNC(=O)C1CCCCCC1 ZINC001569351259 961743635 /nfs/dbraw/zinc/74/36/35/961743635.db2.gz ZVXYTBQGVLKKQN-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(C)c2)C1 ZINC001569372676 961747547 /nfs/dbraw/zinc/74/75/47/961747547.db2.gz FVFMLTQYZFNNKA-KRWDZBQOSA-N 1 1 298.430 3.042 20 30 CGEDMO C=C(Cl)C[N@@H+](CCNC(=O)C1CC1)C1CCCCCC1 ZINC001569448599 961767064 /nfs/dbraw/zinc/76/70/64/961767064.db2.gz VXTPIFOVOFWZIZ-UHFFFAOYSA-N 1 1 298.858 3.290 20 30 CGEDMO C=CC(C)(C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(C)C ZINC001569459714 961767624 /nfs/dbraw/zinc/76/76/24/961767624.db2.gz PBBMWDBNIQMZTE-IYBDPMFKSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCCF)C2 ZINC001569622485 961803848 /nfs/dbraw/zinc/80/38/48/961803848.db2.gz QSJHWKTXIYGDQQ-KRWDZBQOSA-N 1 1 296.430 3.017 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[N@H+](CCCC)CC1 ZINC001570182271 961925763 /nfs/dbraw/zinc/92/57/63/961925763.db2.gz ZFDPRYCHFIREHD-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CCC1(C(=O)N(C)CCC[N@H+](C)CCC)CCCCC1 ZINC001570218594 961935626 /nfs/dbraw/zinc/93/56/26/961935626.db2.gz WRGUUHOHBPDXBK-UHFFFAOYSA-N 1 1 292.467 3.151 20 30 CGEDMO C=C(C)C[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)/C(C)=C\C ZINC001570268598 961939476 /nfs/dbraw/zinc/93/94/76/961939476.db2.gz FPWCNHDMSIRNKA-ZPZLLIBOSA-N 1 1 298.430 3.072 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)C(C)C)C(C)(C)C1 ZINC001570398226 961956951 /nfs/dbraw/zinc/95/69/51/961956951.db2.gz YFEUJAUCHLTDFH-HUUCEWRRSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](CCF)[C@H](C)C2)CCCC1 ZINC001570449385 961971044 /nfs/dbraw/zinc/97/10/44/961971044.db2.gz PLEHCRPBODQAJX-HUUCEWRRSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCCC[N@H+](CC)CC1CCN(C(=O)C=C(C)C)CC1 ZINC001570499298 961977935 /nfs/dbraw/zinc/97/79/35/961977935.db2.gz LNQPEXAUBMBTFD-UHFFFAOYSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC12CC2 ZINC001570534519 961993204 /nfs/dbraw/zinc/99/32/04/961993204.db2.gz KYHMQKKCNUZRNP-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](C)C1CCCC1 ZINC001570544150 961996168 /nfs/dbraw/zinc/99/61/68/961996168.db2.gz RKGCEJGNDOVAID-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC1(C(=O)N2CCC[C@@H]2C[N@H+](C)CC)CCCC1 ZINC001570547635 961998886 /nfs/dbraw/zinc/99/88/86/961998886.db2.gz GGEIGTLRDDDVJP-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H]2CCCCC[N@@H+]2CC(C)C)C1 ZINC001570824480 962090498 /nfs/dbraw/zinc/09/04/98/962090498.db2.gz AKIGOGNXKWUWSD-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1C[N@H+](CC=C(C)C)CC1(C)C ZINC001570897490 962111352 /nfs/dbraw/zinc/11/13/52/962111352.db2.gz SERHSRZXCUKIAG-HNNXBMFYSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1C[N@H+](C[C@@H](F)CC)CC1(C)C ZINC001570899142 962112037 /nfs/dbraw/zinc/11/20/37/962112037.db2.gz JNGWXOYIJYYCPE-KBPBESRZSA-N 1 1 298.446 3.163 20 30 CGEDMO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C[C@@H](C)CC)C[C@@]2(C)C1 ZINC001571059580 962114154 /nfs/dbraw/zinc/11/41/54/962114154.db2.gz OOUIAFVSJAOHJU-RYQLBKOJSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](CC)CCCC)C2)C1 ZINC001571027965 962117912 /nfs/dbraw/zinc/11/79/12/962117912.db2.gz BJYUHCUMBSOICZ-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@@H+]1CCCC2(CN(C(=O)CC(C)(C)C)C2)C1 ZINC001571028414 962118284 /nfs/dbraw/zinc/11/82/84/962118284.db2.gz IMMHVRICLAOUNK-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCC([N@H+](C)CCCC)CC1 ZINC001571331256 962135430 /nfs/dbraw/zinc/13/54/30/962135430.db2.gz OBFQSXAQFMMGLT-UHFFFAOYSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)CC(C)(C)CC)CC1 ZINC001571331517 962138344 /nfs/dbraw/zinc/13/83/44/962138344.db2.gz YQMLWIRZEWSAOB-UHFFFAOYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@H+]1CC[C@]2(NC(=O)/C(C)=C\C)CCC[C@@H]12 ZINC001571498355 962166038 /nfs/dbraw/zinc/16/60/38/962166038.db2.gz CGFMNMWHZWJPLU-HFRZQLDCSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCCCC(=O)N[C@@]12CCC[C@H]1[N@@H+](CC(=C)C)CC2 ZINC001571502551 962169278 /nfs/dbraw/zinc/16/92/78/962169278.db2.gz GHXFYRFAVQPKTA-NVXWUHKLSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)CCC(=O)NCC1=CC[N@@H+](CC/C=C\CC)CC1 ZINC001571688149 962209396 /nfs/dbraw/zinc/20/93/96/962209396.db2.gz COCNZLMDLABYFZ-WAYWQWQTSA-N 1 1 290.451 3.447 20 30 CGEDMO C=CCC(C)(C)C(=O)NCC1=CC[N@@H+](C[C@H](F)CC)CC1 ZINC001571695855 962210069 /nfs/dbraw/zinc/21/00/69/962210069.db2.gz CAVVNKGYJVPSER-OAHLLOKOSA-N 1 1 296.430 3.085 20 30 CGEDMO C=CC[N@H+](CCCC(C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001573341066 962245782 /nfs/dbraw/zinc/24/57/82/962245782.db2.gz GHSOZDFRAYBMBF-UHFFFAOYSA-N 1 1 299.422 3.291 20 30 CGEDMO C[C@@H]1C[C@@H](OC(=O)[C@@H]([NH3+])CCCCC#N)CC(C)(C)C1 ZINC001579467074 962631926 /nfs/dbraw/zinc/63/19/26/962631926.db2.gz FBUGTOKKAJTBQH-MCIONIFRSA-N 1 1 280.412 3.156 20 30 CGEDMO C=C1CC(C)(C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001583393914 962801791 /nfs/dbraw/zinc/80/17/91/962801791.db2.gz IVPAMWPKVOGQHP-OKILXGFUSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC001584398883 962917929 /nfs/dbraw/zinc/91/79/29/962917929.db2.gz SUYGZOZOIXHVRN-ILXRZTDVSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)[C@@H]1CC[C@H]2C[C@H](C)C[N@@H+]2C1 ZINC001586904878 963148708 /nfs/dbraw/zinc/14/87/08/963148708.db2.gz XWUJGKBDBBYNKC-XHSDSOJGSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCCC[N@@H+](CC=C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001588596293 963290696 /nfs/dbraw/zinc/29/06/96/963290696.db2.gz MRVTUSQYDLLWMH-UHFFFAOYSA-N 1 1 297.406 3.211 20 30 CGEDMO C=CC[N@H+](CCC=C(C)C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001588632027 963294993 /nfs/dbraw/zinc/29/49/93/963294993.db2.gz HTRVRHBGDGAEFH-UHFFFAOYSA-N 1 1 297.406 3.211 20 30 CGEDMO Cc1cnc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)cn1 ZINC000589971083 346819478 /nfs/dbraw/zinc/81/94/78/346819478.db2.gz JGESERXZWVUMRW-STQMWFEESA-N 1 1 266.348 3.069 20 30 CGEDMO C=CC[C@@H]1CC[C@@H]([NH2+]C2CCN(CC(C)C)CC2)C1 ZINC000651674440 398267061 /nfs/dbraw/zinc/26/70/61/398267061.db2.gz PCGUOXIZPXSTCJ-NVXWUHKLSA-N 1 1 264.457 3.441 20 30 CGEDMO N#CCCOCC[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000590166160 346834142 /nfs/dbraw/zinc/83/41/42/346834142.db2.gz ZAPBGZZCJQHSJF-MRXNPFEDSA-N 1 1 297.402 3.278 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@H](C(C)(C)C(=O)OC)C1 ZINC000590711512 346866597 /nfs/dbraw/zinc/86/65/97/346866597.db2.gz QVEAZCZAWMUYRA-AWEZNQCLSA-N 1 1 267.413 3.254 20 30 CGEDMO CCCC[C@H](CN)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000591577753 346930301 /nfs/dbraw/zinc/93/03/01/346930301.db2.gz LQFJJYSXPAYECX-NVXWUHKLSA-N 1 1 271.408 3.043 20 30 CGEDMO CCc1ccc([C@@H](CO)[NH2+]Cc2cc(C#N)ccc2F)cc1 ZINC000359620674 529709353 /nfs/dbraw/zinc/70/93/53/529709353.db2.gz ZHTGBGQCZVKRJF-GOSISDBHSA-N 1 1 298.361 3.083 20 30 CGEDMO Cc1cc(N2CC=C(c3ccc(C#N)cc3)CC2)nc(C)[nH+]1 ZINC000371339881 136393021 /nfs/dbraw/zinc/39/30/21/136393021.db2.gz YNNGDYDLJNVXSQ-UHFFFAOYSA-N 1 1 290.370 3.259 20 30 CGEDMO CC(C)COCC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000337317042 214000939 /nfs/dbraw/zinc/00/09/39/214000939.db2.gz LFHVDTLHFVQPRJ-UHFFFAOYSA-N 1 1 272.392 3.195 20 30 CGEDMO COc1ccc([C@H]([NH2+]Cc2ccncc2C#N)C2CC2)cc1 ZINC000592097784 346962241 /nfs/dbraw/zinc/96/22/41/346962241.db2.gz KVWKKWJEOCTWBW-GOSISDBHSA-N 1 1 293.370 3.203 20 30 CGEDMO CC1(C)C[NH+](Cc2ccncc2C#N)CC(C)(C)C1 ZINC000592106177 346963248 /nfs/dbraw/zinc/96/32/48/346963248.db2.gz RAQALWXBWPSNDJ-UHFFFAOYSA-N 1 1 257.381 3.211 20 30 CGEDMO N#Cc1cnccc1C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000592081660 346961624 /nfs/dbraw/zinc/96/16/24/346961624.db2.gz BWJHMIRJDBJUJW-GOSISDBHSA-N 1 1 292.386 3.030 20 30 CGEDMO N#Cc1cnccc1C[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000592081660 346961628 /nfs/dbraw/zinc/96/16/28/346961628.db2.gz BWJHMIRJDBJUJW-GOSISDBHSA-N 1 1 292.386 3.030 20 30 CGEDMO C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592151430 346968004 /nfs/dbraw/zinc/96/80/04/346968004.db2.gz OUPXTSQYBPPZNX-RDTXWAMCSA-N 1 1 280.371 3.251 20 30 CGEDMO N#CCCCC[N@@H+]1CCC[C@H](O)[C@H]1CCc1ccccc1 ZINC000592166141 346968563 /nfs/dbraw/zinc/96/85/63/346968563.db2.gz GZVRCQOLLIBSSP-MSOLQXFVSA-N 1 1 286.419 3.138 20 30 CGEDMO CC[N@@H+](Cc1ccncc1C#N)[C@H]1CCCC[C@@H]1C ZINC000592117069 346964240 /nfs/dbraw/zinc/96/42/40/346964240.db2.gz WSESQWBTYLDWNM-BBRMVZONSA-N 1 1 257.381 3.354 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCC[C@H]1CCOC1 ZINC000592126527 346965184 /nfs/dbraw/zinc/96/51/84/346965184.db2.gz WWRFBYZFMPDWTD-GJZGRUSLSA-N 1 1 272.392 3.368 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000592188938 346970278 /nfs/dbraw/zinc/97/02/78/346970278.db2.gz VHMCRQKIYCQADQ-AWEZNQCLSA-N 1 1 270.376 3.010 20 30 CGEDMO CCC1CCC([N@@H+](C)Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000592497792 346994053 /nfs/dbraw/zinc/99/40/53/346994053.db2.gz GKRLKADVXZPWLH-UHFFFAOYSA-N 1 1 297.406 3.002 20 30 CGEDMO CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1cccc(CC#N)c1 ZINC000592803757 347017883 /nfs/dbraw/zinc/01/78/83/347017883.db2.gz GVFQAPRHLJBQDR-CYBMUJFWSA-N 1 1 296.374 3.101 20 30 CGEDMO CC(C)Oc1ccnc(C[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000592996812 347025270 /nfs/dbraw/zinc/02/52/70/347025270.db2.gz NIXUOAYNNUZFOI-UHFFFAOYSA-N 1 1 295.386 3.372 20 30 CGEDMO CC(C)Oc1ccnc(C[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000592996812 347025274 /nfs/dbraw/zinc/02/52/74/347025274.db2.gz NIXUOAYNNUZFOI-UHFFFAOYSA-N 1 1 295.386 3.372 20 30 CGEDMO CC[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccccc1F ZINC000593064758 347034677 /nfs/dbraw/zinc/03/46/77/347034677.db2.gz OOQZVZIYUJNQMG-DOMZBBRYSA-N 1 1 259.328 3.310 20 30 CGEDMO CC[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCCOC1 ZINC000593070531 347035325 /nfs/dbraw/zinc/03/53/25/347035325.db2.gz NQTKEBWHPQRCOF-QGZVFWFLSA-N 1 1 286.419 3.489 20 30 CGEDMO C[C@H]1C[N@@H+](C[C@@H](C#N)CCC#N)CCc2ccccc21 ZINC000593095953 347039210 /nfs/dbraw/zinc/03/92/10/347039210.db2.gz ORBQPPBFKOZJKM-LSDHHAIUSA-N 1 1 267.376 3.092 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593115812 347041273 /nfs/dbraw/zinc/04/12/73/347041273.db2.gz FPTHUITZXKSFGN-AWEZNQCLSA-N 1 1 262.303 3.098 20 30 CGEDMO C=C(C)CN1CCC([NH2+][C@H](C)c2nc(C)cs2)CC1 ZINC000623889789 349906399 /nfs/dbraw/zinc/90/63/99/349906399.db2.gz WCUNUAXIKZAUQB-CYBMUJFWSA-N 1 1 279.453 3.143 20 30 CGEDMO C[C@@H]1C[N@H+]([C@@H]2CC[C@H](C#N)C2)CCc2ccc(F)cc21 ZINC000593119172 347042336 /nfs/dbraw/zinc/04/23/36/347042336.db2.gz YHWMKDURZXTXIJ-DVOMOZLQSA-N 1 1 272.367 3.480 20 30 CGEDMO N#CC1(C[N@@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)CC1 ZINC000593126927 347043905 /nfs/dbraw/zinc/04/39/05/347043905.db2.gz YGTCTOBQKVFODS-ULQDDVLXSA-N 1 1 282.387 3.285 20 30 CGEDMO N#CC1(C[N@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)CC1 ZINC000593126927 347043907 /nfs/dbraw/zinc/04/39/07/347043907.db2.gz YGTCTOBQKVFODS-ULQDDVLXSA-N 1 1 282.387 3.285 20 30 CGEDMO C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)CC1(C#N)CC1 ZINC000352545547 529990117 /nfs/dbraw/zinc/99/01/17/529990117.db2.gz XWFKGUUYQHVOPY-UHFFFAOYSA-N 1 1 298.308 3.363 20 30 CGEDMO C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)CC1(C#N)CC1 ZINC000352545547 529990118 /nfs/dbraw/zinc/99/01/18/529990118.db2.gz XWFKGUUYQHVOPY-UHFFFAOYSA-N 1 1 298.308 3.363 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000045004482 345019177 /nfs/dbraw/zinc/01/91/77/345019177.db2.gz UJYBHJVFQMWSOL-CQSZACIVSA-N 1 1 261.365 3.417 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000053099145 345114630 /nfs/dbraw/zinc/11/46/30/345114630.db2.gz FNNCWQIKXXVWIX-OAHLLOKOSA-N 1 1 261.365 3.417 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC(F)F)c(OC)c1)C1CC1 ZINC000053137708 345115073 /nfs/dbraw/zinc/11/50/73/345115073.db2.gz BJWFXPVMPNTHAB-UHFFFAOYSA-N 1 1 283.318 3.447 20 30 CGEDMO N#Cc1ccc(C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)cc1 ZINC000060039532 345209682 /nfs/dbraw/zinc/20/96/82/345209682.db2.gz PLJIYYMANJIAEY-SFHVURJKSA-N 1 1 296.370 3.332 20 30 CGEDMO N#Cc1ccc(C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)cc1 ZINC000060039532 345209687 /nfs/dbraw/zinc/20/96/87/345209687.db2.gz PLJIYYMANJIAEY-SFHVURJKSA-N 1 1 296.370 3.332 20 30 CGEDMO CCC[N@@H+](CCCSCC#N)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000074991367 345489889 /nfs/dbraw/zinc/48/98/89/345489889.db2.gz RZOZOQKYTNCVHY-ZNMIVQPWSA-N 1 1 296.480 3.159 20 30 CGEDMO C[C@@H]1CCCCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075744536 345521680 /nfs/dbraw/zinc/52/16/80/345521680.db2.gz ACOJRBYUHZEAIS-CYBMUJFWSA-N 1 1 296.374 3.373 20 30 CGEDMO C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)CC1CCCC1 ZINC000075675142 345518345 /nfs/dbraw/zinc/51/83/45/345518345.db2.gz DYMMQBGIQKKIAF-UHFFFAOYSA-N 1 1 296.374 3.230 20 30 CGEDMO CCN(CC)CC[N@@H+](Cc1cccc(C#N)c1)CC(C)C ZINC000351643183 219159720 /nfs/dbraw/zinc/15/97/20/219159720.db2.gz ATYDUZNEBZNPPH-UHFFFAOYSA-N 1 1 287.451 3.358 20 30 CGEDMO CCN(CC)CC[N@H+](Cc1cccc(C#N)c1)CC(C)C ZINC000351643183 219159722 /nfs/dbraw/zinc/15/97/22/219159722.db2.gz ATYDUZNEBZNPPH-UHFFFAOYSA-N 1 1 287.451 3.358 20 30 CGEDMO C[N@@H+](CCC#N)CCCc1ccc(C(F)(F)F)cc1 ZINC000083217170 345725145 /nfs/dbraw/zinc/72/51/45/345725145.db2.gz WWMGXEHUUZWGHS-UHFFFAOYSA-N 1 1 270.298 3.483 20 30 CGEDMO C[N@H+](CCC#N)CCCc1ccc(C(F)(F)F)cc1 ZINC000083217170 345725147 /nfs/dbraw/zinc/72/51/47/345725147.db2.gz WWMGXEHUUZWGHS-UHFFFAOYSA-N 1 1 270.298 3.483 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000091558516 345818801 /nfs/dbraw/zinc/81/88/01/345818801.db2.gz FAMVLCQGLNKYQI-GJZGRUSLSA-N 1 1 288.439 3.149 20 30 CGEDMO CC[C@@H](C)[N@H+](C)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000091072719 345802875 /nfs/dbraw/zinc/80/28/75/345802875.db2.gz HXEKDHXEWBVGII-CYBMUJFWSA-N 1 1 282.391 3.283 20 30 CGEDMO CC[C@@H](C)[N@@H+](C)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000091072719 345802878 /nfs/dbraw/zinc/80/28/78/345802878.db2.gz HXEKDHXEWBVGII-CYBMUJFWSA-N 1 1 282.391 3.283 20 30 CGEDMO C[N@@H+](CCNc1snc(Cl)c1C#N)C1CCCCC1 ZINC000092623278 345847529 /nfs/dbraw/zinc/84/75/29/345847529.db2.gz BREUAGIJCWMGKJ-UHFFFAOYSA-N 1 1 298.843 3.345 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)CCc2nccs2)cc1 ZINC000093843723 345889247 /nfs/dbraw/zinc/88/92/47/345889247.db2.gz UCIACAUMDCAWIP-UHFFFAOYSA-N 1 1 288.416 3.382 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC1=CCCOC1 ZINC000093872441 345891867 /nfs/dbraw/zinc/89/18/67/345891867.db2.gz UCDWCSCQKYYWLP-ZWKOTPCHSA-N 1 1 282.387 3.105 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CC1=CCCOC1 ZINC000093872441 345891870 /nfs/dbraw/zinc/89/18/70/345891870.db2.gz UCDWCSCQKYYWLP-ZWKOTPCHSA-N 1 1 282.387 3.105 20 30 CGEDMO C[C@H](CCO)[N@@H+](Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000093303962 345874279 /nfs/dbraw/zinc/87/42/79/345874279.db2.gz JWAGKORYQDVALT-MRXNPFEDSA-N 1 1 294.398 3.331 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C[C@H]1C ZINC000093503783 345882153 /nfs/dbraw/zinc/88/21/53/345882153.db2.gz CKTJBXVETYZCHK-GASCZTMLSA-N 1 1 271.408 3.124 20 30 CGEDMO C=CCc1cc(C[N@H+]2C[C@H](C)[C@H](C)C2)cc(OC)c1O ZINC000093503488 345882186 /nfs/dbraw/zinc/88/21/86/345882186.db2.gz PNAYPHKIUXTYPB-BETUJISGSA-N 1 1 275.392 3.217 20 30 CGEDMO CC[N@H+](CCc1ccccc1Cl)C[C@H](C)C#N ZINC000123057433 346007835 /nfs/dbraw/zinc/00/78/35/346007835.db2.gz YBRYCBLTLQRVRL-GFCCVEGCSA-N 1 1 250.773 3.364 20 30 CGEDMO CC[N@@H+](CCc1ccccc1Cl)C[C@H](C)C#N ZINC000123057433 346007838 /nfs/dbraw/zinc/00/78/38/346007838.db2.gz YBRYCBLTLQRVRL-GFCCVEGCSA-N 1 1 250.773 3.364 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCS[C@@H](C)[C@@H]1C ZINC000165509133 346184889 /nfs/dbraw/zinc/18/48/89/346184889.db2.gz MZPFAPSVWKELME-STQMWFEESA-N 1 1 260.406 3.193 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H](CO)c1ccc(OC)cc1 ZINC000193347155 346269469 /nfs/dbraw/zinc/26/94/69/346269469.db2.gz HRQZILIZSJNJQJ-KRWDZBQOSA-N 1 1 277.408 3.407 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1nc(-c2ccc(C)cc2)no1 ZINC000248274919 346374814 /nfs/dbraw/zinc/37/48/14/346374814.db2.gz XXUFCZRZMCZBJW-UHFFFAOYSA-N 1 1 271.364 3.443 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1nc(-c2ccc(C)cc2)no1 ZINC000248274919 346374821 /nfs/dbraw/zinc/37/48/21/346374821.db2.gz XXUFCZRZMCZBJW-UHFFFAOYSA-N 1 1 271.364 3.443 20 30 CGEDMO Fc1ccc(C#CC[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000289401398 346423438 /nfs/dbraw/zinc/42/34/38/346423438.db2.gz AAAOYROGNZFNMF-ROUUACIJSA-N 1 1 299.389 3.211 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000289401398 346423440 /nfs/dbraw/zinc/42/34/40/346423440.db2.gz AAAOYROGNZFNMF-ROUUACIJSA-N 1 1 299.389 3.211 20 30 CGEDMO N#Cc1csc(C[NH2+]Cc2ccc(Cl)o2)c1 ZINC000309523985 346469613 /nfs/dbraw/zinc/46/96/13/346469613.db2.gz AJZGIANPCYXWLI-UHFFFAOYSA-N 1 1 252.726 3.156 20 30 CGEDMO C=CCOCCC[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000347971659 346509852 /nfs/dbraw/zinc/50/98/52/346509852.db2.gz OUYGPHPNJLXSKT-UHFFFAOYSA-N 1 1 263.356 3.383 20 30 CGEDMO N#CC1(C[NH2+]Cc2cc(F)cc(F)c2)CCCC1 ZINC000593652963 347099279 /nfs/dbraw/zinc/09/92/79/347099279.db2.gz SYVSAHGKFXQPGD-UHFFFAOYSA-N 1 1 250.292 3.138 20 30 CGEDMO C[N@@H+](CC1(CC#N)CC1)C1CCN(Cc2ccccc2)CC1 ZINC000382024196 346559553 /nfs/dbraw/zinc/55/95/53/346559553.db2.gz ZGGAVSGJUXUCBR-UHFFFAOYSA-N 1 1 297.446 3.277 20 30 CGEDMO CN(CC1(CC#N)CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000382024196 346559557 /nfs/dbraw/zinc/55/95/57/346559557.db2.gz ZGGAVSGJUXUCBR-UHFFFAOYSA-N 1 1 297.446 3.277 20 30 CGEDMO CC[C@H]1C[N@H+](Cc2cc(C#N)cs2)[C@@H](CC)CO1 ZINC000593662039 347102210 /nfs/dbraw/zinc/10/22/10/347102210.db2.gz XHVPFPKSSJFXAO-STQMWFEESA-N 1 1 264.394 3.009 20 30 CGEDMO CC[C@H]1C[N@@H+](Cc2cc(C#N)cs2)[C@@H](CC)CO1 ZINC000593662039 347102213 /nfs/dbraw/zinc/10/22/13/347102213.db2.gz XHVPFPKSSJFXAO-STQMWFEESA-N 1 1 264.394 3.009 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000397867643 346585362 /nfs/dbraw/zinc/58/53/62/346585362.db2.gz WQMVERMKGMXOSX-HUUCEWRRSA-N 1 1 262.397 3.104 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)cc1Cl)[C@@H]1CCCOC1 ZINC000402821917 346595943 /nfs/dbraw/zinc/59/59/43/346595943.db2.gz HSXQYCJKTMXPEA-CQSZACIVSA-N 1 1 278.783 3.213 20 30 CGEDMO CCOc1cccc(C[NH2+]CC2(C#N)CCCC2)c1 ZINC000405154283 346602172 /nfs/dbraw/zinc/60/21/72/346602172.db2.gz RCDNPWDPJXECEE-UHFFFAOYSA-N 1 1 258.365 3.259 20 30 CGEDMO C=CCn1cc(C[NH2+]Cc2c(C)cc(Cl)cc2C)nn1 ZINC000424166748 346612680 /nfs/dbraw/zinc/61/26/80/346612680.db2.gz BDMCVDJGGHDNJZ-UHFFFAOYSA-N 1 1 290.798 3.024 20 30 CGEDMO C[C@@H]1CC[C@@]2(CC[N@@H+](Cc3ccc(C#N)cc3[N+](=O)[O-])C2)C1 ZINC000584722472 346710372 /nfs/dbraw/zinc/71/03/72/346710372.db2.gz NZSRLNLORLGYHL-CXAGYDPISA-N 1 1 299.374 3.479 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000585754117 346729487 /nfs/dbraw/zinc/72/94/87/346729487.db2.gz RBONIFBYLAARAJ-IRXDYDNUSA-N 1 1 270.376 3.010 20 30 CGEDMO CC[C@H](C)C[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000119177543 370651540 /nfs/dbraw/zinc/65/15/40/370651540.db2.gz IXIXRBQPHGCFBA-AWEZNQCLSA-N 1 1 260.381 3.053 20 30 CGEDMO CC(C)c1cc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)on1 ZINC000589341696 346794348 /nfs/dbraw/zinc/79/43/48/346794348.db2.gz GRLZHKDJUMBGBX-MRXNPFEDSA-N 1 1 281.359 3.447 20 30 CGEDMO Cc1ccccc1Cc1noc([C@@H]([NH3+])CCCCC#N)n1 ZINC000593943788 347120723 /nfs/dbraw/zinc/12/07/23/347120723.db2.gz OMJPAFRFOCDZJE-AWEZNQCLSA-N 1 1 284.363 3.053 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2CC2CCCC2)nc1 ZINC000594053367 347145941 /nfs/dbraw/zinc/14/59/41/347145941.db2.gz OVRXQHZDWCMPBB-KRWDZBQOSA-N 1 1 269.392 3.498 20 30 CGEDMO N#Cc1ccc(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c(F)c1 ZINC000594600439 347200252 /nfs/dbraw/zinc/20/02/52/347200252.db2.gz LFSXTGIYKUIPSA-CVEARBPZSA-N 1 1 273.355 3.126 20 30 CGEDMO C[C@H](C[NH+]1CCCCC1)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594494881 347178748 /nfs/dbraw/zinc/17/87/48/347178748.db2.gz KBFSGYNLVAGVRN-MRXNPFEDSA-N 1 1 299.462 3.452 20 30 CGEDMO CC(C)[N@@H+](C)C[C@@H](C)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594516879 347186507 /nfs/dbraw/zinc/18/65/07/347186507.db2.gz HAXWGNUIVYIYKU-OAHLLOKOSA-N 1 1 287.451 3.306 20 30 CGEDMO CC(C)[N@H+](C)C[C@@H](C)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594516879 347186508 /nfs/dbraw/zinc/18/65/08/347186508.db2.gz HAXWGNUIVYIYKU-OAHLLOKOSA-N 1 1 287.451 3.306 20 30 CGEDMO C[N@@H+](CCNCc1ccc(C2(C#N)CC2)cc1)C1CCCC1 ZINC000594921681 347230248 /nfs/dbraw/zinc/23/02/48/347230248.db2.gz QWLGJAYIBCQKBG-UHFFFAOYSA-N 1 1 297.446 3.206 20 30 CGEDMO CN(CC[NH2+]Cc1ccc(C2(C#N)CC2)cc1)C1CCCC1 ZINC000594921681 347230252 /nfs/dbraw/zinc/23/02/52/347230252.db2.gz QWLGJAYIBCQKBG-UHFFFAOYSA-N 1 1 297.446 3.206 20 30 CGEDMO CC(C)[N@@H+](C)C[C@@H](C)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594943912 347236763 /nfs/dbraw/zinc/23/67/63/347236763.db2.gz MCSBTABOMVSWEX-OAHLLOKOSA-N 1 1 285.435 3.060 20 30 CGEDMO CC(C)[N@H+](C)C[C@@H](C)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594943912 347236766 /nfs/dbraw/zinc/23/67/66/347236766.db2.gz MCSBTABOMVSWEX-OAHLLOKOSA-N 1 1 285.435 3.060 20 30 CGEDMO Cc1cccn2c(C[NH2+]CC3(C#N)CCCCC3)cnc12 ZINC000594981555 347248574 /nfs/dbraw/zinc/24/85/74/347248574.db2.gz RGAVEWXRZCHWDV-UHFFFAOYSA-N 1 1 282.391 3.206 20 30 CGEDMO C[N@@H+](CCc1ccc(F)cc1)CCc1ccc(C#N)cc1 ZINC000595294940 347288053 /nfs/dbraw/zinc/28/80/53/347288053.db2.gz CWVSYZYKLUKGGJ-UHFFFAOYSA-N 1 1 282.362 3.414 20 30 CGEDMO CC[N@@H+](CCc1ccc(C#N)cc1)CCC(F)(F)F ZINC000595301754 347289235 /nfs/dbraw/zinc/28/92/35/347289235.db2.gz OKDSPYQYJRQDMS-UHFFFAOYSA-N 1 1 270.298 3.375 20 30 CGEDMO C[C@@H]1C[C@@H](C)CN(CC[NH2+]C2(c3cccc(C#N)c3)CC2)C1 ZINC000595418065 347300029 /nfs/dbraw/zinc/30/00/29/347300029.db2.gz OFCLJGWMNDUNOK-HZPDHXFCSA-N 1 1 297.446 3.115 20 30 CGEDMO CC(C)(C)[N@@H+]1CC[C@H](N[C@H]2CCc3ccc(C#N)cc32)C1 ZINC000595057485 347272310 /nfs/dbraw/zinc/27/23/10/347272310.db2.gz XQVYLERWAMOZTO-RDJZCZTQSA-N 1 1 283.419 3.008 20 30 CGEDMO CC(C)(C)[N@H+]1CC[C@H](N[C@H]2CCc3ccc(C#N)cc32)C1 ZINC000595057485 347272313 /nfs/dbraw/zinc/27/23/13/347272313.db2.gz XQVYLERWAMOZTO-RDJZCZTQSA-N 1 1 283.419 3.008 20 30 CGEDMO CC[C@@H](C)[N@@H+](CC)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000595598447 347323527 /nfs/dbraw/zinc/32/35/27/347323527.db2.gz CZLLGPOEALQRSD-SNVBAGLBSA-N 1 1 293.436 3.296 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](CCOc2ccccc2Cl)C1 ZINC000595610973 347326553 /nfs/dbraw/zinc/32/65/53/347326553.db2.gz FHKDNABBROOJBQ-ZDUSSCGKSA-N 1 1 278.783 3.344 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](CCOc2ccccc2Cl)C1 ZINC000595610973 347326558 /nfs/dbraw/zinc/32/65/58/347326558.db2.gz FHKDNABBROOJBQ-ZDUSSCGKSA-N 1 1 278.783 3.344 20 30 CGEDMO CO[C@@H](C[N@H+]1CCC[C@@H](CC#N)C1)C1CCCCC1 ZINC000595613729 347327596 /nfs/dbraw/zinc/32/75/96/347327596.db2.gz AKMIWVLVYFKOCM-HOCLYGCPSA-N 1 1 264.413 3.207 20 30 CGEDMO CO[C@H](C[N@H+]1CCC[C@@H](CC#N)C1)C1CCCCC1 ZINC000595613728 347327685 /nfs/dbraw/zinc/32/76/85/347327685.db2.gz AKMIWVLVYFKOCM-GOEBONIOSA-N 1 1 264.413 3.207 20 30 CGEDMO Cc1cc(C)cc(OCC[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595612215 347327931 /nfs/dbraw/zinc/32/79/31/347327931.db2.gz TXFKBURNMLUUKR-MRXNPFEDSA-N 1 1 272.392 3.308 20 30 CGEDMO COc1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)cc1Cl ZINC000595620784 347328631 /nfs/dbraw/zinc/32/86/31/347328631.db2.gz QSURZOJZSLISCA-GFCCVEGCSA-N 1 1 278.783 3.474 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cc1Cl ZINC000595620784 347328633 /nfs/dbraw/zinc/32/86/33/347328633.db2.gz QSURZOJZSLISCA-GFCCVEGCSA-N 1 1 278.783 3.474 20 30 CGEDMO COc1ccc(Cl)c(C[N@@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595623895 347329166 /nfs/dbraw/zinc/32/91/66/347329166.db2.gz XXALQVSEENDYDB-LBPRGKRZSA-N 1 1 278.783 3.474 20 30 CGEDMO COc1ccc(Cl)c(C[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595623895 347329168 /nfs/dbraw/zinc/32/91/68/347329168.db2.gz XXALQVSEENDYDB-LBPRGKRZSA-N 1 1 278.783 3.474 20 30 CGEDMO COc1cncc(/C=C\CC[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595622402 347329656 /nfs/dbraw/zinc/32/96/56/347329656.db2.gz ABZVGEMHTUWVPA-ZSQCLPQSSA-N 1 1 285.391 3.119 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2cncn2Cc2ccccc2)C1 ZINC000595621522 347329781 /nfs/dbraw/zinc/32/97/81/347329781.db2.gz VYFWQYRWHAXHMS-QGZVFWFLSA-N 1 1 294.402 3.057 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cncn2Cc2ccccc2)C1 ZINC000595621522 347329783 /nfs/dbraw/zinc/32/97/83/347329783.db2.gz VYFWQYRWHAXHMS-QGZVFWFLSA-N 1 1 294.402 3.057 20 30 CGEDMO C=CC[N@H+](CCC1(C#N)CCCCC1)[C@@H](C)COC ZINC000595640013 347332007 /nfs/dbraw/zinc/33/20/07/347332007.db2.gz YXISXONGKOREMJ-HNNXBMFYSA-N 1 1 264.413 3.373 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000595659890 347334286 /nfs/dbraw/zinc/33/42/86/347334286.db2.gz QRZPNKOVYQDDGF-ZDUSSCGKSA-N 1 1 285.347 3.255 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@H](C)c2ccc(C(=O)OC)o2)C1 ZINC000595660970 347335067 /nfs/dbraw/zinc/33/50/67/347335067.db2.gz UVAFAXJDUJJJRK-CHWSQXEVSA-N 1 1 277.364 3.415 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC2(CCCC2)OC[C@H]1C ZINC000595815710 347359333 /nfs/dbraw/zinc/35/93/33/347359333.db2.gz RCEGISJBYRHKEV-OAHLLOKOSA-N 1 1 284.403 3.400 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](C(=O)OC)[C@@H]2CCCC[C@H]21 ZINC000595731338 347347929 /nfs/dbraw/zinc/34/79/29/347347929.db2.gz BEVZTBVTSBIMPY-SOUVJXGZSA-N 1 1 265.397 3.006 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCC[C@@H](c3ccccn3)C2)cc1 ZINC000595503078 347312072 /nfs/dbraw/zinc/31/20/72/347312072.db2.gz PLPZPOXXOMECAT-GOSISDBHSA-N 1 1 291.398 3.375 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCC[C@]3(CCSC3)C2)cc1 ZINC000595522587 347315160 /nfs/dbraw/zinc/31/51/60/347315160.db2.gz MUCYWEXEHSUJHE-KRWDZBQOSA-N 1 1 286.444 3.320 20 30 CGEDMO C[N@@H+](CCCCC(C)(C)C#N)[C@@H](CO)Cc1ccccc1 ZINC000595591377 347322202 /nfs/dbraw/zinc/32/22/02/347322202.db2.gz GHOPSZMKYZNMDO-QGZVFWFLSA-N 1 1 288.435 3.242 20 30 CGEDMO COc1cc(C#N)ccc1OC[C@H]1CCCC[N@H+]1C(C)C ZINC000596240936 347402933 /nfs/dbraw/zinc/40/29/33/347402933.db2.gz HWHDUXGJFKACBB-OAHLLOKOSA-N 1 1 288.391 3.209 20 30 CGEDMO Cc1cccc(C)c1NC(=O)CCC[N@H+]1CC[C@](C)(C#N)C1 ZINC000595833076 347362808 /nfs/dbraw/zinc/36/28/08/347362808.db2.gz FMXLPBUUVKAEQC-GOSISDBHSA-N 1 1 299.418 3.258 20 30 CGEDMO C[C@H](CC[N@H+]1CC[C@](C)(C#N)C1)OCc1ccccc1 ZINC000595842051 347365556 /nfs/dbraw/zinc/36/55/56/347365556.db2.gz BRVAQXJVDVYKJJ-NVXWUHKLSA-N 1 1 272.392 3.217 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC000595841942 347365621 /nfs/dbraw/zinc/36/56/21/347365621.db2.gz ATLJPSSXANOSIQ-AWEZNQCLSA-N 1 1 298.308 3.363 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC000595841942 347365623 /nfs/dbraw/zinc/36/56/23/347365623.db2.gz ATLJPSSXANOSIQ-AWEZNQCLSA-N 1 1 298.308 3.363 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)c(C(=O)OC)o1 ZINC000595842825 347366128 /nfs/dbraw/zinc/36/61/28/347366128.db2.gz VNVIAJIUWDXRBE-BETUJISGSA-N 1 1 275.348 3.058 20 30 CGEDMO COc1cccc(C2([NH2+]Cc3ccncc3C#N)CCC2)c1 ZINC000595854959 347367458 /nfs/dbraw/zinc/36/74/58/347367458.db2.gz WPOZWPYEJOLKFQ-UHFFFAOYSA-N 1 1 293.370 3.131 20 30 CGEDMO N#CCCOCC[N@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC000595875828 347368907 /nfs/dbraw/zinc/36/89/07/347368907.db2.gz AWIUXFCWBXSUSC-MRXNPFEDSA-N 1 1 264.413 3.209 20 30 CGEDMO C[N@@H+](C[C@@H](C#N)CCC#N)C[C@@H]1CCc2ccccc21 ZINC000595876088 347370340 /nfs/dbraw/zinc/37/03/40/347370340.db2.gz CTJOKORNMOWOBK-ZBFHGGJFSA-N 1 1 267.376 3.092 20 30 CGEDMO Cc1nc(N[C@H]2CC[N@H+](C(C)(C)C)C2)c(Cl)cc1C#N ZINC000596336049 347422209 /nfs/dbraw/zinc/42/22/09/347422209.db2.gz LFMVSNVFMXADSE-LBPRGKRZSA-N 1 1 292.814 3.200 20 30 CGEDMO N#Cc1cc(F)ccc1NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596570423 347480894 /nfs/dbraw/zinc/48/08/94/347480894.db2.gz KRDSHWRVUOSDLE-AWEZNQCLSA-N 1 1 287.382 3.231 20 30 CGEDMO Cc1ccccc1-n1cc(C[N@H+]2CCC[C@@H](CC#N)C2)cn1 ZINC000597175551 347544174 /nfs/dbraw/zinc/54/41/74/347544174.db2.gz BLCVQOWUJKNAMK-INIZCTEOSA-N 1 1 294.402 3.306 20 30 CGEDMO COCc1csc(C[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC000596979234 347523717 /nfs/dbraw/zinc/52/37/17/347523717.db2.gz IZWQGAMXEQGTEU-UHFFFAOYSA-N 1 1 286.400 3.398 20 30 CGEDMO CCCC[N@@H+](CCOC)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597019213 347528443 /nfs/dbraw/zinc/52/84/43/347528443.db2.gz FLPSFHLYGKVESA-UHFFFAOYSA-N 1 1 286.419 3.490 20 30 CGEDMO C[N@@H+](CCc1nccs1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597026618 347528567 /nfs/dbraw/zinc/52/85/67/347528567.db2.gz POWXYPVOYMQIDO-UHFFFAOYSA-N 1 1 297.427 3.373 20 30 CGEDMO CC[C@@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597028546 347529601 /nfs/dbraw/zinc/52/96/01/347529601.db2.gz ZPERPCSXXNMTRS-CQSZACIVSA-N 1 1 254.377 3.474 20 30 CGEDMO C[N@@H+](CCc1ccccn1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597080961 347533834 /nfs/dbraw/zinc/53/38/34/347533834.db2.gz XYPCCEMBBVCJRV-UHFFFAOYSA-N 1 1 291.398 3.311 20 30 CGEDMO CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597132794 347538382 /nfs/dbraw/zinc/53/83/82/347538382.db2.gz MJNSISOSRTYYRG-UHFFFAOYSA-N 1 1 299.462 3.405 20 30 CGEDMO CCC[N@H+](CCCN(C)C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597132794 347538385 /nfs/dbraw/zinc/53/83/85/347538385.db2.gz MJNSISOSRTYYRG-UHFFFAOYSA-N 1 1 299.462 3.405 20 30 CGEDMO CCC[N@@H+](CCCN(C)C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597132794 347538387 /nfs/dbraw/zinc/53/83/87/347538387.db2.gz MJNSISOSRTYYRG-UHFFFAOYSA-N 1 1 299.462 3.405 20 30 CGEDMO CCCN(CCC[NH+](C)C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597132794 347538388 /nfs/dbraw/zinc/53/83/88/347538388.db2.gz MJNSISOSRTYYRG-UHFFFAOYSA-N 1 1 299.462 3.405 20 30 CGEDMO CCO[C@@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@H]1C ZINC000597138304 347540150 /nfs/dbraw/zinc/54/01/50/347540150.db2.gz PKZZGANCSRZYCA-CRAIPNDOSA-N 1 1 298.430 3.489 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](Cc2cc3ccncc3s2)C1 ZINC000597229469 347557421 /nfs/dbraw/zinc/55/74/21/347557421.db2.gz ATLATCOXULHQTR-AWEZNQCLSA-N 1 1 257.362 3.032 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](Cc2cc3ccncc3s2)C1 ZINC000597229469 347557424 /nfs/dbraw/zinc/55/74/24/347557424.db2.gz ATLATCOXULHQTR-AWEZNQCLSA-N 1 1 257.362 3.032 20 30 CGEDMO COCc1ccccc1/C=C(/C)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597233184 347560091 /nfs/dbraw/zinc/56/00/91/347560091.db2.gz ZVXYYEBRIWQWIH-BXBOZWQASA-N 1 1 284.403 3.472 20 30 CGEDMO COCc1ccccc1/C=C(/C)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597233184 347560093 /nfs/dbraw/zinc/56/00/93/347560093.db2.gz ZVXYYEBRIWQWIH-BXBOZWQASA-N 1 1 284.403 3.472 20 30 CGEDMO N#Cc1ccc(C[NH+]2CC(Cc3ccsc3)C2)c(F)c1 ZINC000598678861 347677953 /nfs/dbraw/zinc/67/79/53/347677953.db2.gz WGQAEIKTQSKFIV-UHFFFAOYSA-N 1 1 286.375 3.433 20 30 CGEDMO CC[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@@H](C)c1ccc(C#N)cc1 ZINC000598586342 347666630 /nfs/dbraw/zinc/66/66/30/347666630.db2.gz GIEZZGLAJDTGNN-WMLDXEAASA-N 1 1 299.418 3.242 20 30 CGEDMO CC[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@H](C)c1ccc(C#N)cc1 ZINC000598586341 347666975 /nfs/dbraw/zinc/66/69/75/347666975.db2.gz GIEZZGLAJDTGNN-RHSMWYFYSA-N 1 1 299.418 3.242 20 30 CGEDMO CC[C@H](C)[C@@H](C)[N@@H+](C[C@H](O)CC(C)(C)C#N)C1CC1 ZINC000598589305 347667685 /nfs/dbraw/zinc/66/76/85/347667685.db2.gz HXHQPLDYOIXXOQ-GZBFAFLISA-N 1 1 266.429 3.186 20 30 CGEDMO CC[N@@H+](Cc1c(F)cccc1F)C[C@@H](O)CC(C)(C)C#N ZINC000598591328 347667885 /nfs/dbraw/zinc/66/78/85/347667885.db2.gz ZPXDZWYSVVXSPR-LBPRGKRZSA-N 1 1 296.361 3.087 20 30 CGEDMO CC[N@H+](Cc1c(F)cccc1F)C[C@@H](O)CC(C)(C)C#N ZINC000598591328 347667886 /nfs/dbraw/zinc/66/78/86/347667886.db2.gz ZPXDZWYSVVXSPR-LBPRGKRZSA-N 1 1 296.361 3.087 20 30 CGEDMO CC(C)C[C@@]1(C)CCC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598618874 347671631 /nfs/dbraw/zinc/67/16/31/347671631.db2.gz SEKLXNXUJXVFOL-GOEBONIOSA-N 1 1 266.429 3.188 20 30 CGEDMO C/C(=C\c1ccccc1)C[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598612000 347671642 /nfs/dbraw/zinc/67/16/42/347671642.db2.gz YHIUHLPOBUHQIF-IUYQLWOBSA-N 1 1 286.419 3.322 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCc2sc(Cl)cc2C1 ZINC000598625213 347672253 /nfs/dbraw/zinc/67/22/53/347672253.db2.gz NZWIGPJWLKMGDO-LLVKDONJSA-N 1 1 298.839 3.060 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCc2sc(Cl)cc2C1 ZINC000598625213 347672255 /nfs/dbraw/zinc/67/22/55/347672255.db2.gz NZWIGPJWLKMGDO-LLVKDONJSA-N 1 1 298.839 3.060 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CC[C@H]([C@H]2CCCC2(C)C)C1 ZINC000598624414 347672441 /nfs/dbraw/zinc/67/24/41/347672441.db2.gz GZYBXESLRQXTFW-HRCADAONSA-N 1 1 292.467 3.435 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CC[C@H]([C@@H]2CCCC2(C)C)C1 ZINC000598624415 347672518 /nfs/dbraw/zinc/67/25/18/347672518.db2.gz GZYBXESLRQXTFW-JYJNAYRXSA-N 1 1 292.467 3.435 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CCCC2(CC2)CC1 ZINC000599673307 347763386 /nfs/dbraw/zinc/76/33/86/347763386.db2.gz ONEIVYWJRHQZLI-UHFFFAOYSA-N 1 1 258.340 3.463 20 30 CGEDMO C/C=C\C[C@@H]1CCC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000599688976 347765925 /nfs/dbraw/zinc/76/59/25/347765925.db2.gz GYQVOIVGJDGYSZ-PYLYLYNFSA-N 1 1 255.365 3.131 20 30 CGEDMO Cc1cccc(N2CCc3c(CC#N)cccc3C2)[nH+]1 ZINC000599195644 347725462 /nfs/dbraw/zinc/72/54/62/347725462.db2.gz SXPMZVXQCUGJRZ-UHFFFAOYSA-N 1 1 263.344 3.019 20 30 CGEDMO CC[N@@H+](Cc1cnc(C)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000600106450 347779543 /nfs/dbraw/zinc/77/95/43/347779543.db2.gz GKRAIYKFSDRFKT-LBPRGKRZSA-N 1 1 269.348 3.438 20 30 CGEDMO Cc1ccc(C[N@@H+](C)Cc2cc(Cl)cn2C)cc1C#N ZINC000599313295 347734294 /nfs/dbraw/zinc/73/42/94/347734294.db2.gz XFCPLHBTPHQLCT-UHFFFAOYSA-N 1 1 287.794 3.491 20 30 CGEDMO Cc1ccc(C[N@H+](C)Cc2cc(Cl)cn2C)cc1C#N ZINC000599313295 347734298 /nfs/dbraw/zinc/73/42/98/347734298.db2.gz XFCPLHBTPHQLCT-UHFFFAOYSA-N 1 1 287.794 3.491 20 30 CGEDMO CC[N@@H+](CCC#N)CC1(O)CCC(c2ccccc2)CC1 ZINC000599306954 347734351 /nfs/dbraw/zinc/73/43/51/347734351.db2.gz GQZNMNPINVJWFK-UHFFFAOYSA-N 1 1 286.419 3.311 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(C(=O)OC)c(F)c2)C1 ZINC000599526875 347750584 /nfs/dbraw/zinc/75/05/84/347750584.db2.gz VOFCHXPGXMCRJQ-GFCCVEGCSA-N 1 1 277.339 3.010 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000599530518 347751424 /nfs/dbraw/zinc/75/14/24/347751424.db2.gz ZJVGREVFNKUIOC-GFCCVEGCSA-N 1 1 276.336 3.001 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCCC(F)(F)CC2)c([N+](=O)[O-])c1 ZINC000599551799 347753637 /nfs/dbraw/zinc/75/36/37/347753637.db2.gz BLNIWJFPDZUULC-UHFFFAOYSA-N 1 1 295.289 3.088 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCC(F)(F)CC2)c([N+](=O)[O-])c1 ZINC000599551799 347753640 /nfs/dbraw/zinc/75/36/40/347753640.db2.gz BLNIWJFPDZUULC-UHFFFAOYSA-N 1 1 295.289 3.088 20 30 CGEDMO C[C@H]1CC(F)(F)CC[N@H+]1CCc1ccc(C#N)cc1 ZINC000599628454 347759602 /nfs/dbraw/zinc/75/96/02/347759602.db2.gz UEJNOHZEXFPSPW-LBPRGKRZSA-N 1 1 264.319 3.220 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)cc1 ZINC000599639103 347760980 /nfs/dbraw/zinc/76/09/80/347760980.db2.gz YECIVYDRHNTRLG-PKOBYXMFSA-N 1 1 298.430 3.082 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCc3c(O)cccc3C2)cc1C#N ZINC000599649076 347761358 /nfs/dbraw/zinc/76/13/58/347761358.db2.gz XOCPTHHEXYRKST-UHFFFAOYSA-N 1 1 278.355 3.131 20 30 CGEDMO Cc1ccc(C[N@H+]2CCc3c(O)cccc3C2)cc1C#N ZINC000599649076 347761360 /nfs/dbraw/zinc/76/13/60/347761360.db2.gz XOCPTHHEXYRKST-UHFFFAOYSA-N 1 1 278.355 3.131 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000601977782 347931209 /nfs/dbraw/zinc/93/12/09/347931209.db2.gz TZGJUYRYCBANLW-LBPRGKRZSA-N 1 1 274.355 3.062 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000602436986 347958022 /nfs/dbraw/zinc/95/80/22/347958022.db2.gz BWUGBYFKBPSDRA-FUHWJXTLSA-N 1 1 285.435 3.133 20 30 CGEDMO N#Cc1ccc(C[N@@H+](CCC[C@@H]2CCO2)C2CC2)cc1 ZINC000602438789 347958054 /nfs/dbraw/zinc/95/80/54/347958054.db2.gz AHMBFPGOSZPIGW-QGZVFWFLSA-N 1 1 270.376 3.092 20 30 CGEDMO CC[C@@H](C)[C@H](C[N@@H+](C)Cc1cccc(C#N)c1)OC ZINC000602438796 347958115 /nfs/dbraw/zinc/95/81/15/347958115.db2.gz AOIBNSNKTWNXMI-CJNGLKHVSA-N 1 1 260.381 3.051 20 30 CGEDMO CC[N@H+](Cc1cccc2ncccc12)C[C@H](C)C#N ZINC000602446659 347959007 /nfs/dbraw/zinc/95/90/07/347959007.db2.gz HCRBDGZOWXXJAN-CYBMUJFWSA-N 1 1 253.349 3.216 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000602451172 347960242 /nfs/dbraw/zinc/96/02/42/347960242.db2.gz ZECNSRCSUCUKIL-MRXNPFEDSA-N 1 1 296.418 3.010 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)n1 ZINC000602472335 347963992 /nfs/dbraw/zinc/96/39/92/347963992.db2.gz FFYPRMOTHDRXAS-CYBMUJFWSA-N 1 1 281.334 3.082 20 30 CGEDMO C[C@]1(c2ccccc2)CC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602477040 347965174 /nfs/dbraw/zinc/96/51/74/347965174.db2.gz OZBYGGHNSQVZHP-SFHVURJKSA-N 1 1 277.371 3.117 20 30 CGEDMO N#CC1CCC(Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000602490334 347968492 /nfs/dbraw/zinc/96/84/92/347968492.db2.gz SFSPMZHDUBRQAN-UHFFFAOYSA-N 1 1 299.418 3.013 20 30 CGEDMO CC(C)(C)C1=CC[N@H+](Cc2cccc(C#N)n2)CC1 ZINC000602495458 347969356 /nfs/dbraw/zinc/96/93/56/347969356.db2.gz VAGIWHRZVITHJI-UHFFFAOYSA-N 1 1 255.365 3.131 20 30 CGEDMO CC(C)(C)C1=CC[N@@H+](Cc2cccc(C#N)n2)CC1 ZINC000602495458 347969361 /nfs/dbraw/zinc/96/93/61/347969361.db2.gz VAGIWHRZVITHJI-UHFFFAOYSA-N 1 1 255.365 3.131 20 30 CGEDMO N#Cc1cccc(C[NH2+][C@H]2CSCc3ccccc32)n1 ZINC000602535931 347977398 /nfs/dbraw/zinc/97/73/98/347977398.db2.gz PKISLMXPVPHLCD-INIZCTEOSA-N 1 1 281.384 3.031 20 30 CGEDMO C[C@@H]1C[C@H](C)CN(C(C)(C)C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602526530 347975746 /nfs/dbraw/zinc/97/57/46/347975746.db2.gz LCFATWZAMCKLHO-RYTJFDOTSA-N 1 1 291.483 3.415 20 30 CGEDMO C[C@H](CCC#N)C[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000602590233 347990246 /nfs/dbraw/zinc/99/02/46/347990246.db2.gz YDLXLBIUVYYMNJ-ZHALLVOQSA-N 1 1 299.462 3.426 20 30 CGEDMO COc1c(C)cnc(C[N@@H+](C)C[C@H](C)CCC#N)c1C ZINC000602607477 347992842 /nfs/dbraw/zinc/99/28/42/347992842.db2.gz LDDQJHQIUOXAEZ-GFCCVEGCSA-N 1 1 275.396 3.079 20 30 CGEDMO COCC[N@@H+](C[C@H](C)CCC#N)[C@@H]1CC[C@@H](C)C1 ZINC000602629845 347996723 /nfs/dbraw/zinc/99/67/23/347996723.db2.gz JRQKSCSDOIUNRG-RBSFLKMASA-N 1 1 252.402 3.063 20 30 CGEDMO N#CC1(CN[C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000602644645 347999871 /nfs/dbraw/zinc/99/98/71/347999871.db2.gz ZSOWPNNLRSLJRV-SJLPKXTDSA-N 1 1 295.430 3.248 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000602663459 348003578 /nfs/dbraw/zinc/00/35/78/348003578.db2.gz COKOCUMZNHMNCT-HOTGVXAUSA-N 1 1 296.418 3.441 20 30 CGEDMO Cc1ncccc1OC[C@@H]1CCC[N@@H+]1C[C@@H](C)CCC#N ZINC000602700282 348012714 /nfs/dbraw/zinc/01/27/14/348012714.db2.gz UUZJLQOLVJIUJC-HOCLYGCPSA-N 1 1 287.407 3.173 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](O)C[C@@H]2c2ccccc2)c1 ZINC000602733590 348021057 /nfs/dbraw/zinc/02/10/57/348021057.db2.gz WIFBYHLDWLIFFN-RBUKOAKNSA-N 1 1 292.382 3.256 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](O)C[C@H]2c2ccccc2)c1 ZINC000602733588 348021080 /nfs/dbraw/zinc/02/10/80/348021080.db2.gz WIFBYHLDWLIFFN-MOPGFXCFSA-N 1 1 292.382 3.256 20 30 CGEDMO C=C(C)C[C@@H]([NH2+][C@@H](C)CCCC(F)(F)F)C(=O)OC ZINC000602733990 348021144 /nfs/dbraw/zinc/02/11/44/348021144.db2.gz MCGKJJHLAJTEAV-WDEREUQCSA-N 1 1 281.318 3.205 20 30 CGEDMO C[C@@H](C[N@@H+](C)Cc1nc(C#N)cs1)C(C)(C)C ZINC000602757362 348023855 /nfs/dbraw/zinc/02/38/55/348023855.db2.gz IBAXLWAGYHUDCP-JTQLQIEISA-N 1 1 251.399 3.129 20 30 CGEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCO[C@H]1C ZINC000602765861 348025444 /nfs/dbraw/zinc/02/54/44/348025444.db2.gz NIUNUMAPGNGUPC-MAUKXSAKSA-N 1 1 286.419 3.441 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)CC1(CC#N)CC1 ZINC000602767862 348025609 /nfs/dbraw/zinc/02/56/09/348025609.db2.gz JZBNWKSWSARZME-UHFFFAOYSA-N 1 1 270.376 3.377 20 30 CGEDMO N#CCC1(C[N@H+]2CCCO[C@H](c3ccccc3)C2)CC1 ZINC000602773119 348026646 /nfs/dbraw/zinc/02/66/46/348026646.db2.gz QKZYOZJYCNDVOH-INIZCTEOSA-N 1 1 270.376 3.144 20 30 CGEDMO CN(C)CC[C@@H]([NH2+]C1CCC(C#N)CC1)C(C)(C)C ZINC000602544721 347979003 /nfs/dbraw/zinc/97/90/03/347979003.db2.gz JZJKRMQXZITWHX-YMAMQOFZSA-N 1 1 265.445 3.025 20 30 CGEDMO N#CC1(C[N@H+]2CCC[C@@H](Cn3cnc4ccccc43)C2)CC1 ZINC000602813187 348033410 /nfs/dbraw/zinc/03/34/10/348033410.db2.gz TVIMKLRVBAANHV-OAHLLOKOSA-N 1 1 294.402 3.052 20 30 CGEDMO COc1cccc([C@]2(C)CC[N@@H+](CC3(CC#N)CC3)C2)c1 ZINC000602897889 348041692 /nfs/dbraw/zinc/04/16/92/348041692.db2.gz UHKOBVIJSYKYQB-QGZVFWFLSA-N 1 1 284.403 3.352 20 30 CGEDMO C[N@@H+](Cc1cccc2cccnc21)[C@@H]1CCC[C@H]1C#N ZINC000602977185 348049055 /nfs/dbraw/zinc/04/90/55/348049055.db2.gz YXQUDSQLGZSWET-GOEBONIOSA-N 1 1 265.360 3.359 20 30 CGEDMO CSc1ccc(OCC[N@H+](C)[C@@H]2CCC[C@H]2C#N)cc1 ZINC000602978852 348049432 /nfs/dbraw/zinc/04/94/32/348049432.db2.gz XLOQDJUXEZLSJE-XJKSGUPXSA-N 1 1 290.432 3.411 20 30 CGEDMO CSc1ccc(OCC[N@@H+](C)[C@@H]2CCC[C@H]2C#N)cc1 ZINC000602978852 348049433 /nfs/dbraw/zinc/04/94/33/348049433.db2.gz XLOQDJUXEZLSJE-XJKSGUPXSA-N 1 1 290.432 3.411 20 30 CGEDMO CO[C@H](C[N@@H+](C)[C@H]1CCC[C@@H]1C#N)C1CCCCC1 ZINC000602981272 348051212 /nfs/dbraw/zinc/05/12/12/348051212.db2.gz AKNLSYWZFGFWSQ-OWCLPIDISA-N 1 1 264.413 3.206 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H](C(C)C)CC1 ZINC000604055207 348108642 /nfs/dbraw/zinc/10/86/42/348108642.db2.gz VFINHNDBBJLXHR-INIZCTEOSA-N 1 1 280.456 3.169 20 30 CGEDMO CC[N@@H+](Cc1cccc(C#N)c1F)[C@@H]1CCOC(C)(C)C1 ZINC000351926269 219249034 /nfs/dbraw/zinc/24/90/34/219249034.db2.gz NXNUPLQMCGHSAM-OAHLLOKOSA-N 1 1 290.382 3.477 20 30 CGEDMO CC#CC[N@@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000607735550 348260390 /nfs/dbraw/zinc/26/03/90/348260390.db2.gz LBRJBXQNDIYYAU-UHFFFAOYSA-N 1 1 292.220 3.436 20 30 CGEDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccnc(C#N)c1 ZINC000610993773 348416287 /nfs/dbraw/zinc/41/62/87/348416287.db2.gz IGLWWPJZMZRMTB-INWMFGNUSA-N 1 1 255.365 3.106 20 30 CGEDMO CC1(C)C[N@H+](Cc2ccc(C#N)s2)C(C)(C)CO1 ZINC000611272161 348434010 /nfs/dbraw/zinc/43/40/10/348434010.db2.gz BIARYQJGECDYBV-UHFFFAOYSA-N 1 1 264.394 3.009 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)s2)C(C)(C)CO1 ZINC000611272161 348434015 /nfs/dbraw/zinc/43/40/15/348434015.db2.gz BIARYQJGECDYBV-UHFFFAOYSA-N 1 1 264.394 3.009 20 30 CGEDMO C[N@H+](Cc1ccnc(C#N)c1)Cc1ccc(Cl)c(F)c1 ZINC000611194974 348427554 /nfs/dbraw/zinc/42/75/54/348427554.db2.gz XMGGIMAYSBQZKW-UHFFFAOYSA-N 1 1 289.741 3.378 20 30 CGEDMO C[N@@H+](Cc1ccnc(C#N)c1)Cc1ccc(Cl)c(F)c1 ZINC000611194974 348427557 /nfs/dbraw/zinc/42/75/57/348427557.db2.gz XMGGIMAYSBQZKW-UHFFFAOYSA-N 1 1 289.741 3.378 20 30 CGEDMO C[N@@H+](C[C@@H]1CCCO[C@@H]1c1ccccc1)CC1(C#N)CC1 ZINC000611429399 348450672 /nfs/dbraw/zinc/45/06/72/348450672.db2.gz LXCJWYFSMHLTKX-DLBZAZTESA-N 1 1 284.403 3.390 20 30 CGEDMO COc1cccc([C@@H](C)[N@@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000612165489 348499455 /nfs/dbraw/zinc/49/94/55/348499455.db2.gz NJBQUQORAFEKKD-CJNGLKHVSA-N 1 1 258.365 3.382 20 30 CGEDMO COc1cccc([C@@H](C)[N@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000612165489 348499457 /nfs/dbraw/zinc/49/94/57/348499457.db2.gz NJBQUQORAFEKKD-CJNGLKHVSA-N 1 1 258.365 3.382 20 30 CGEDMO CCOc1ccc(C[NH2+]CC(C)(C)C#N)cc1OCC ZINC000612584974 348530364 /nfs/dbraw/zinc/53/03/64/348530364.db2.gz LHASLUAVPIAOEM-UHFFFAOYSA-N 1 1 276.380 3.123 20 30 CGEDMO C[C@@H](CNc1nc(C(C)(C)C)ccc1C#N)[N@@H+](C)C1CC1 ZINC000613420556 348599855 /nfs/dbraw/zinc/59/98/55/348599855.db2.gz QXNIVNMVBHCABU-LBPRGKRZSA-N 1 1 286.423 3.145 20 30 CGEDMO CC[N@@H+](CCNc1nc(C(C)(C)C)ccc1C#N)C1CC1 ZINC000613419684 348599970 /nfs/dbraw/zinc/59/99/70/348599970.db2.gz FUUCUFQPBHLIKW-UHFFFAOYSA-N 1 1 286.423 3.147 20 30 CGEDMO CC(C)(C)C[N@@H+](CCO)Cc1ccc(Cl)cc1C#N ZINC000614167514 348654483 /nfs/dbraw/zinc/65/44/83/348654483.db2.gz VCMPEMLNJUGXES-UHFFFAOYSA-N 1 1 280.799 3.052 20 30 CGEDMO C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@@H](CO)C(C)(C)C ZINC000614176348 348655271 /nfs/dbraw/zinc/65/52/71/348655271.db2.gz VVMDKGJUYFGAJI-INIZCTEOSA-N 1 1 288.435 3.327 20 30 CGEDMO N#CCCCC[N@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000614235659 348661310 /nfs/dbraw/zinc/66/13/10/348661310.db2.gz CJFLJKCYHHYHLQ-INIZCTEOSA-N 1 1 296.418 3.442 20 30 CGEDMO C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000614247868 348662241 /nfs/dbraw/zinc/66/22/41/348662241.db2.gz MIGCHBHKLLXBLL-WBVHZDCISA-N 1 1 256.393 3.491 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+](CCCO)Cc1ccccc1 ZINC000614402775 348673856 /nfs/dbraw/zinc/67/38/56/348673856.db2.gz QJSOVWUDNYRSQU-UHFFFAOYSA-N 1 1 294.398 3.251 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000614403127 348673940 /nfs/dbraw/zinc/67/39/40/348673940.db2.gz GDLHYWUUZRGQCO-QZTJIDSGSA-N 1 1 284.403 3.115 20 30 CGEDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1C ZINC000614402384 348673948 /nfs/dbraw/zinc/67/39/48/348673948.db2.gz CBNNVWONZLFAAP-SFHVURJKSA-N 1 1 294.402 3.246 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2c(F)cc(F)cc2F)cc1 ZINC000339524023 215228195 /nfs/dbraw/zinc/22/81/95/215228195.db2.gz ZXUBOXLHVXAUGV-UHFFFAOYSA-N 1 1 276.261 3.265 20 30 CGEDMO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H]2CCC[C@H](C#N)C2)[nH]1 ZINC000618578066 349110306 /nfs/dbraw/zinc/11/03/06/349110306.db2.gz YATMURZJVFYIPF-ZDEQEGDKSA-N 1 1 275.400 3.051 20 30 CGEDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000618594270 349115744 /nfs/dbraw/zinc/11/57/44/349115744.db2.gz YSHTZZIOLYQMQB-GOSISDBHSA-N 1 1 294.402 3.246 20 30 CGEDMO Cc1cc(C[N@H+]2CCc3ccc(O)cc3CC2)ccc1C#N ZINC000618593917 349115751 /nfs/dbraw/zinc/11/57/51/349115751.db2.gz URTQUFOBWXVCLK-UHFFFAOYSA-N 1 1 292.382 3.173 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000618666137 349136636 /nfs/dbraw/zinc/13/66/36/349136636.db2.gz WBAYRZUYIKVPTA-PBHICJAKSA-N 1 1 278.440 3.112 20 30 CGEDMO C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1cscn1 ZINC000618805708 349157048 /nfs/dbraw/zinc/15/70/48/349157048.db2.gz PAESSICXHNMCEM-IINYFYTJSA-N 1 1 269.373 3.353 20 30 CGEDMO C=CCCC(C)(C)NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000620861505 349431041 /nfs/dbraw/zinc/43/10/41/349431041.db2.gz SIDIBKBYHKPOPL-MJBXVCDLSA-N 1 1 266.429 3.109 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2cncc(OC)n2)CCCC1(C)C ZINC000625375307 350164975 /nfs/dbraw/zinc/16/49/75/350164975.db2.gz NMFMJSWBHQYPDD-CQSZACIVSA-N 1 1 275.396 3.052 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000625657544 350193478 /nfs/dbraw/zinc/19/34/78/350193478.db2.gz VSSCGCWZROJHRT-XJKSGUPXSA-N 1 1 281.346 3.081 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2C)C1 ZINC000625699605 350197092 /nfs/dbraw/zinc/19/70/92/350197092.db2.gz ATWPXJVPRRWUQI-ZDUSSCGKSA-N 1 1 292.810 3.485 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000625699623 350197106 /nfs/dbraw/zinc/19/71/06/350197106.db2.gz BEHBLHZLSMJLRV-MRXNPFEDSA-N 1 1 281.403 3.329 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2nc([C@@H](C)OCC(C)C)no2)C1 ZINC000625700758 350198178 /nfs/dbraw/zinc/19/81/78/350198178.db2.gz LEPCEKYEPKMKHI-KGLIPLIRSA-N 1 1 293.411 3.201 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2nc([C@@H](C)OCC(C)C)no2)C1 ZINC000625700758 350198179 /nfs/dbraw/zinc/19/81/79/350198179.db2.gz LEPCEKYEPKMKHI-KGLIPLIRSA-N 1 1 293.411 3.201 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2c(C)cc(C)nc2OC)C1 ZINC000625701162 350198557 /nfs/dbraw/zinc/19/85/57/350198557.db2.gz HONAWHGKTCILKD-AWEZNQCLSA-N 1 1 260.381 3.105 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccn(-c3ccccc3F)n2)C1 ZINC000625700454 350198769 /nfs/dbraw/zinc/19/87/69/350198769.db2.gz BYRDKDDYVGBPAJ-AWEZNQCLSA-N 1 1 285.366 3.409 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000625699804 350198857 /nfs/dbraw/zinc/19/88/57/350198857.db2.gz HMCMXVMYGFQDBC-OAHLLOKOSA-N 1 1 267.376 3.270 20 30 CGEDMO C=CC[C@H]1CC[N@H+](C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000625700627 350199020 /nfs/dbraw/zinc/19/90/20/350199020.db2.gz DDXORNJMMLTBJL-XJKSGUPXSA-N 1 1 279.811 3.141 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CC(=O)Nc2cc(C)ccc2C)C1 ZINC000625703610 350199815 /nfs/dbraw/zinc/19/98/15/350199815.db2.gz NQPRCUXVYARBCX-HNNXBMFYSA-N 1 1 272.392 3.140 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ncccc2C(F)(F)F)C1 ZINC000625703765 350199911 /nfs/dbraw/zinc/19/99/11/350199911.db2.gz SPZKMGGSFQDXBJ-NSHDSACASA-N 1 1 270.298 3.498 20 30 CGEDMO C=CC[N@@H+](Cc1cc(CO)ccc1F)C(C)(C)C ZINC000625538043 350183437 /nfs/dbraw/zinc/18/34/37/350183437.db2.gz BHJXLNRVJDNUDB-UHFFFAOYSA-N 1 1 251.345 3.105 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](CC(=O)N[C@@H](c2ccccc2)C2CC2)C1 ZINC000625705663 350200981 /nfs/dbraw/zinc/20/09/81/350200981.db2.gz WZIPDBIHVWPGGO-BEFAXECRSA-N 1 1 298.430 3.152 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(O[C@@H](C)COC)cc2)C1 ZINC000628406709 350529273 /nfs/dbraw/zinc/52/92/73/350529273.db2.gz PCNFWBMVEPTQPM-HOTGVXAUSA-N 1 1 289.419 3.498 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(Br)o2)C1 ZINC000628406696 350529503 /nfs/dbraw/zinc/52/95/03/350529503.db2.gz OZWPUELRYOELKU-JTQLQIEISA-N 1 1 270.170 3.440 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(COCCOC)cc2)C1 ZINC000628406960 350530437 /nfs/dbraw/zinc/53/04/37/350530437.db2.gz VPGRZQPTAIHOKZ-INIZCTEOSA-N 1 1 289.419 3.248 20 30 CGEDMO CC1(C)C[N@H+](Cc2cc(C#N)cs2)[C@@H]1[C@@H]1CCCO1 ZINC000335657317 212375607 /nfs/dbraw/zinc/37/56/07/212375607.db2.gz XMWCEZHQYWHXDY-UONOGXRCSA-N 1 1 276.405 3.009 20 30 CGEDMO CC1(C)C[N@@H+](Cc2cc(C#N)cs2)[C@@H]1[C@@H]1CCCO1 ZINC000335657317 212375610 /nfs/dbraw/zinc/37/56/10/212375610.db2.gz XMWCEZHQYWHXDY-UONOGXRCSA-N 1 1 276.405 3.009 20 30 CGEDMO C=C[C@H](C)[NH2+]Cc1ncc(Br)cc1Cl ZINC000631089186 350950691 /nfs/dbraw/zinc/95/06/91/350950691.db2.gz VCKUAKYNGAJUAZ-ZETCQYMHSA-N 1 1 275.577 3.162 20 30 CGEDMO COc1cc(C[N@H+]2CCC(F)(F)[C@H](C)C2)ccc1C#N ZINC000291436852 198022168 /nfs/dbraw/zinc/02/21/68/198022168.db2.gz BPZLHMKZMHXBLE-LLVKDONJSA-N 1 1 280.318 3.044 20 30 CGEDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cccc(C#N)c1 ZINC000124193129 187126144 /nfs/dbraw/zinc/12/61/44/187126144.db2.gz CWUZRTKWIBWXCM-YOEHRIQHSA-N 1 1 272.392 3.074 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OCc2nccn2C)cc1)C1CC1 ZINC000271533896 191198201 /nfs/dbraw/zinc/19/82/01/191198201.db2.gz XYAZQCINFYVMRS-UHFFFAOYSA-N 1 1 297.402 3.150 20 30 CGEDMO CO[C@]1(C)CCC[N@@H+](Cc2ccc(C#N)c(C)c2)CC1 ZINC000336457793 213325782 /nfs/dbraw/zinc/32/57/82/213325782.db2.gz MFCJINFZDQZRJZ-QGZVFWFLSA-N 1 1 272.392 3.258 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000155069397 188180467 /nfs/dbraw/zinc/18/04/67/188180467.db2.gz BPFWUBFDIKBYPJ-HNNXBMFYSA-N 1 1 271.360 3.008 20 30 CGEDMO CC#CCC[N@H+](CCCCOC)Cc1ccccc1 ZINC000155219384 188191305 /nfs/dbraw/zinc/19/13/05/188191305.db2.gz JZPHUSHQDMUQTH-UHFFFAOYSA-N 1 1 259.393 3.329 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000336413627 213271477 /nfs/dbraw/zinc/27/14/77/213271477.db2.gz GZVDEFOVGKATIM-XJKSGUPXSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000336413627 213271480 /nfs/dbraw/zinc/27/14/80/213271480.db2.gz GZVDEFOVGKATIM-XJKSGUPXSA-N 1 1 290.794 3.213 20 30 CGEDMO N#C[C@H]1CC[C@H](N2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC000334558107 283067423 /nfs/dbraw/zinc/06/74/23/283067423.db2.gz JYKRGGIZDLFOIO-ROUUACIJSA-N 1 1 289.467 3.267 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)cc1 ZINC000361024707 283143968 /nfs/dbraw/zinc/14/39/68/283143968.db2.gz BXJUPYAZJIGZOA-UHFFFAOYSA-N 1 1 290.366 3.311 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421019711 235788164 /nfs/dbraw/zinc/78/81/64/235788164.db2.gz QDRQFNWXEHKKCZ-CYBMUJFWSA-N 1 1 292.810 3.196 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421019711 235788165 /nfs/dbraw/zinc/78/81/65/235788165.db2.gz QDRQFNWXEHKKCZ-CYBMUJFWSA-N 1 1 292.810 3.196 20 30 CGEDMO CO[C@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C[C@@H]1C ZINC000336257830 213092960 /nfs/dbraw/zinc/09/29/60/213092960.db2.gz VAQSCZIRVJGPOJ-NHYWBVRUSA-N 1 1 278.783 3.068 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C[C@@H]1C ZINC000336257830 213092962 /nfs/dbraw/zinc/09/29/62/213092962.db2.gz VAQSCZIRVJGPOJ-NHYWBVRUSA-N 1 1 278.783 3.068 20 30 CGEDMO Cc1ncsc1C[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000176877279 189012875 /nfs/dbraw/zinc/01/28/75/189012875.db2.gz QSOGJEUIJIXNJL-UHFFFAOYSA-N 1 1 275.352 3.094 20 30 CGEDMO Cc1ncsc1C[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000176877279 189012876 /nfs/dbraw/zinc/01/28/76/189012876.db2.gz QSOGJEUIJIXNJL-UHFFFAOYSA-N 1 1 275.352 3.094 20 30 CGEDMO C=CCCC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177086858 189027297 /nfs/dbraw/zinc/02/72/97/189027297.db2.gz SJZLHTZPHVYJMA-UHFFFAOYSA-N 1 1 275.308 3.134 20 30 CGEDMO Clc1ccc(C#CC[N@@H+](C[C@H]2CCOC2)C2CC2)cc1 ZINC000177028129 189021828 /nfs/dbraw/zinc/02/18/28/189021828.db2.gz IBACKKGBNKETGC-OAHLLOKOSA-N 1 1 289.806 3.192 20 30 CGEDMO CC[N@@H+](Cc1cn(C)nc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000179463125 189195677 /nfs/dbraw/zinc/19/56/77/189195677.db2.gz ZUQAASNDQLJGKT-CQSZACIVSA-N 1 1 282.391 3.183 20 30 CGEDMO N#Cc1ccc(C[N@@H+](Cc2cccnc2)C2CC2)cc1 ZINC000180267298 189247139 /nfs/dbraw/zinc/24/71/39/189247139.db2.gz CMERRISLBXKMDY-UHFFFAOYSA-N 1 1 263.344 3.118 20 30 CGEDMO C[C@H](NCC[N@@H+]1CCCC[C@H]1C)c1cccc(C#N)c1 ZINC000181507117 189298354 /nfs/dbraw/zinc/29/83/54/189298354.db2.gz MIXNUDAUJWJUJS-CABCVRRESA-N 1 1 271.408 3.083 20 30 CGEDMO C[C@H](NCC[N@H+]1CCCC[C@H]1C)c1cccc(C#N)c1 ZINC000181507117 189298355 /nfs/dbraw/zinc/29/83/55/189298355.db2.gz MIXNUDAUJWJUJS-CABCVRRESA-N 1 1 271.408 3.083 20 30 CGEDMO CC[N@H+]1CCCC[C@H]1CNc1ccc(C#N)c(Cl)c1 ZINC000301544716 201061411 /nfs/dbraw/zinc/06/14/11/201061411.db2.gz OONYUTDFZXXYPD-AWEZNQCLSA-N 1 1 277.799 3.498 20 30 CGEDMO CC(C)Cn1cc(C[N@H+](C)Cc2cccc(C#N)c2)cn1 ZINC000183046797 189343737 /nfs/dbraw/zinc/34/37/37/189343737.db2.gz KWCURVFYLLULMV-UHFFFAOYSA-N 1 1 282.391 3.043 20 30 CGEDMO CC(C)Cn1cc(C[N@@H+](C)Cc2cccc(C#N)c2)cn1 ZINC000183046797 189343738 /nfs/dbraw/zinc/34/37/38/189343738.db2.gz KWCURVFYLLULMV-UHFFFAOYSA-N 1 1 282.391 3.043 20 30 CGEDMO CCCC[N@H+](C)C[C@H](C)NCc1ccc(C#N)c(C)c1 ZINC000342443180 216354683 /nfs/dbraw/zinc/35/46/83/216354683.db2.gz PWFFWCFOQKVAAX-HNNXBMFYSA-N 1 1 273.424 3.077 20 30 CGEDMO CCCC[N@@H+](C)C[C@H](C)NCc1ccc(C#N)c(C)c1 ZINC000342443180 216354686 /nfs/dbraw/zinc/35/46/86/216354686.db2.gz PWFFWCFOQKVAAX-HNNXBMFYSA-N 1 1 273.424 3.077 20 30 CGEDMO CC(=O)c1ccc(C#N)cc1NC[C@H](c1ccco1)[NH+](C)C ZINC000302028152 201307283 /nfs/dbraw/zinc/30/72/83/201307283.db2.gz ATJKTLUCILNISB-MRXNPFEDSA-N 1 1 297.358 3.069 20 30 CGEDMO C=CCN(Cc1cccs1)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000120215253 370748464 /nfs/dbraw/zinc/74/84/64/370748464.db2.gz XDPQLCWGBCDOEG-OKILXGFUSA-N 1 1 292.448 3.136 20 30 CGEDMO C[C@@H]1Cc2[nH+]cn(Cc3ccc(F)cc3C#N)c2C[C@H]1C ZINC000451002609 240188543 /nfs/dbraw/zinc/18/85/43/240188543.db2.gz SRUUFUBKYHZUNB-VXGBXAGGSA-N 1 1 283.350 3.313 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCSC[C@H]2C2CC2)cc1F ZINC000451654520 240342943 /nfs/dbraw/zinc/34/29/43/240342943.db2.gz OOONNSJUTRDMNV-HNNXBMFYSA-N 1 1 276.380 3.025 20 30 CGEDMO C[C@H]1CCC(C)(C)[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000452019839 240397082 /nfs/dbraw/zinc/39/70/82/240397082.db2.gz ZCYJOPLPEXYRFW-NSHDSACASA-N 1 1 291.420 3.211 20 30 CGEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1(C)C ZINC000120625644 370787480 /nfs/dbraw/zinc/78/74/80/370787480.db2.gz FHKLLGNBKKNRLR-JKSUJKDBSA-N 1 1 272.392 3.194 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)c1ccc(C(=O)OC)o1 ZINC000121109403 370829220 /nfs/dbraw/zinc/82/92/20/370829220.db2.gz BBAUQAZQEWYDSQ-NSHDSACASA-N 1 1 251.326 3.025 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H]1CCC[C@@H]1C ZINC000487971990 243488060 /nfs/dbraw/zinc/48/80/60/243488060.db2.gz LHGIBWRVQTWFNG-GUYCJALGSA-N 1 1 290.382 3.334 20 30 CGEDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1CC#Cc1ccccc1 ZINC000124302841 370923467 /nfs/dbraw/zinc/92/34/67/370923467.db2.gz YJBPCLOUDRIIGR-SJLPKXTDSA-N 1 1 271.404 3.054 20 30 CGEDMO COc1ccc(CCC[N@@H+](C)C[C@@H](C#N)CCC#N)cc1 ZINC000127047444 370948920 /nfs/dbraw/zinc/94/89/20/370948920.db2.gz HYCPSIBFKLZNSP-MRXNPFEDSA-N 1 1 285.391 3.003 20 30 CGEDMO CC(C)[N@@H+](CCOc1cccc(C#N)c1)Cc1cccnc1 ZINC000125668367 370939939 /nfs/dbraw/zinc/93/99/39/370939939.db2.gz KEUKKSXYELZEFV-UHFFFAOYSA-N 1 1 295.386 3.243 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)Nc1cc(F)ccc1C ZINC000125934349 370941319 /nfs/dbraw/zinc/94/13/19/370941319.db2.gz HGFKFHSAKNGLSQ-CYBMUJFWSA-N 1 1 278.371 3.359 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000032514640 368934556 /nfs/dbraw/zinc/93/45/56/368934556.db2.gz BDWCCIQRVKPIRO-SFHVURJKSA-N 1 1 281.403 3.385 20 30 CGEDMO CCC[C@H](C)[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000036790606 369029015 /nfs/dbraw/zinc/02/90/15/369029015.db2.gz VSBXTHXPXPBZBN-ZDUSSCGKSA-N 1 1 273.380 3.007 20 30 CGEDMO CC[N@@H+](CC(=O)N(CCC#N)c1cc(C)cc(C)c1)C1CC1 ZINC000046058705 369290428 /nfs/dbraw/zinc/29/04/28/369290428.db2.gz FFFGHPGAYSMUKF-UHFFFAOYSA-N 1 1 299.418 3.034 20 30 CGEDMO N#Cc1ccc([C@@H](O)C[N@@H+](Cc2cccs2)C2CC2)cc1 ZINC000049024117 369382399 /nfs/dbraw/zinc/38/23/99/369382399.db2.gz AYVKTHHQTDBXHC-KRWDZBQOSA-N 1 1 298.411 3.318 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)Cc1ccc(F)cc1Cl ZINC000128366778 370962213 /nfs/dbraw/zinc/96/22/13/370962213.db2.gz BZJYVUFURWBTNP-ZDUSSCGKSA-N 1 1 271.763 3.238 20 30 CGEDMO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC000057622511 369543565 /nfs/dbraw/zinc/54/35/65/369543565.db2.gz DGCBUUKFRBBFHR-KRWDZBQOSA-N 1 1 265.360 3.234 20 30 CGEDMO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1ccccc1C#N ZINC000057622511 369543571 /nfs/dbraw/zinc/54/35/71/369543571.db2.gz DGCBUUKFRBBFHR-KRWDZBQOSA-N 1 1 265.360 3.234 20 30 CGEDMO C=CC[N@H+](CCc1ccnn1CC)Cc1ccc(OC)cc1 ZINC000276337297 193292086 /nfs/dbraw/zinc/29/20/86/193292086.db2.gz SJWUABDPFUHOJG-UHFFFAOYSA-N 1 1 299.418 3.142 20 30 CGEDMO C=CC[N@H+](C)Cc1cc(Br)ccc1OC ZINC000061761089 369606466 /nfs/dbraw/zinc/60/64/66/369606466.db2.gz FOIYXMSKEIMQNB-UHFFFAOYSA-N 1 1 270.170 3.076 20 30 CGEDMO C[C@@H](c1ccco1)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000069065423 369753864 /nfs/dbraw/zinc/75/38/64/369753864.db2.gz QXYVXIJVMQEBMI-ZDUSSCGKSA-N 1 1 270.332 3.223 20 30 CGEDMO CC(C)OC(=O)CC[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000075674580 369915813 /nfs/dbraw/zinc/91/58/13/369915813.db2.gz VYDYDQUNKVARAE-UHFFFAOYSA-N 1 1 288.391 3.110 20 30 CGEDMO C=C(C)CN1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000076119833 369932596 /nfs/dbraw/zinc/93/25/96/369932596.db2.gz WAGJGFGLWGIWOG-MRXNPFEDSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000076119833 369932601 /nfs/dbraw/zinc/93/26/01/369932601.db2.gz WAGJGFGLWGIWOG-MRXNPFEDSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000076119833 369932606 /nfs/dbraw/zinc/93/26/06/369932606.db2.gz WAGJGFGLWGIWOG-MRXNPFEDSA-N 1 1 258.409 3.159 20 30 CGEDMO COc1ccc(CC[N@@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000088264241 370032714 /nfs/dbraw/zinc/03/27/14/370032714.db2.gz JCPWNAATYPLASR-UHFFFAOYSA-N 1 1 280.371 3.241 20 30 CGEDMO N#Cc1ccc(OCC[N@H+]2CCc3cc(F)ccc3C2)cc1 ZINC000091894683 370078749 /nfs/dbraw/zinc/07/87/49/370078749.db2.gz UGUSWWGMCRWWMH-UHFFFAOYSA-N 1 1 296.345 3.134 20 30 CGEDMO C[C@@H]1CC[N@@H+](CC(C)(C)CCC#N)C[C@@H]1n1ccnc1 ZINC000091961221 370084532 /nfs/dbraw/zinc/08/45/32/370084532.db2.gz HGPOHGRJFQVARZ-CABCVRRESA-N 1 1 274.412 3.096 20 30 CGEDMO CC[N@@H+](Cc1c[nH]nc1-c1ccc(OC)cc1)C[C@@H](C)C#N ZINC000091984132 370085888 /nfs/dbraw/zinc/08/58/88/370085888.db2.gz DMMKRQRTIFYQER-ZDUSSCGKSA-N 1 1 298.390 3.067 20 30 CGEDMO CC[N@H+](Cc1c[nH]nc1-c1ccc(OC)cc1)C[C@@H](C)C#N ZINC000091984132 370085892 /nfs/dbraw/zinc/08/58/92/370085892.db2.gz DMMKRQRTIFYQER-ZDUSSCGKSA-N 1 1 298.390 3.067 20 30 CGEDMO C=CC[N@@H+](Cc1cnn(CC)c1)Cc1ccc(OC)cc1 ZINC000092217487 370094662 /nfs/dbraw/zinc/09/46/62/370094662.db2.gz VZSDGZBQMBDRKA-UHFFFAOYSA-N 1 1 285.391 3.100 20 30 CGEDMO C=CC[N@H+](Cc1cnn(CC)c1)Cc1ccc(OC)cc1 ZINC000092217487 370094668 /nfs/dbraw/zinc/09/46/68/370094668.db2.gz VZSDGZBQMBDRKA-UHFFFAOYSA-N 1 1 285.391 3.100 20 30 CGEDMO CCCO[C@H]1CCC[N@@H+](Cc2cc(C#N)cs2)CC1 ZINC000093317632 370119073 /nfs/dbraw/zinc/11/90/73/370119073.db2.gz AATRQFNUBNJRDC-AWEZNQCLSA-N 1 1 278.421 3.401 20 30 CGEDMO CSCC[C@H](C)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000093558947 370140456 /nfs/dbraw/zinc/14/04/56/370140456.db2.gz XYVBKCHDZLGBKR-JTQLQIEISA-N 1 1 254.424 3.193 20 30 CGEDMO CCC[C@@H]1CCCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000219334438 376200104 /nfs/dbraw/zinc/20/01/04/376200104.db2.gz UXWCQBHGYQRHBZ-IAGOWNOFSA-N 1 1 272.392 3.246 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)CCC(=O)Nc1ccccc1 ZINC000109812192 370366133 /nfs/dbraw/zinc/36/61/33/370366133.db2.gz DUPBVQPQFOUHAA-UHFFFAOYSA-N 1 1 287.407 3.277 20 30 CGEDMO CC(C)([NH2+]Cc1ccc(C#N)cc1)c1nccs1 ZINC000116380072 370557843 /nfs/dbraw/zinc/55/78/43/370557843.db2.gz CPNKRRCMQRWYES-UHFFFAOYSA-N 1 1 257.362 3.040 20 30 CGEDMO CC[C@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1OC ZINC000130396693 371029693 /nfs/dbraw/zinc/02/96/93/371029693.db2.gz XDNUTHWSNUUICP-HNNXBMFYSA-N 1 1 258.365 3.331 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+](C)Cc1cccc(F)c1 ZINC000130394208 371030508 /nfs/dbraw/zinc/03/05/08/371030508.db2.gz SINYAJIHPXSWNL-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](C)Cc1cccc(F)c1 ZINC000130394208 371030514 /nfs/dbraw/zinc/03/05/14/371030514.db2.gz SINYAJIHPXSWNL-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000131466086 371109224 /nfs/dbraw/zinc/10/92/24/371109224.db2.gz NRPBBBFCCHDOPW-CQSZACIVSA-N 1 1 286.375 3.492 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1c1cc(OC)ccc1OC ZINC000132385312 371171804 /nfs/dbraw/zinc/17/18/04/371171804.db2.gz RMOISGYFLAEGTD-HNNXBMFYSA-N 1 1 261.365 3.417 20 30 CGEDMO CC(C)C(N)=[NH+]O[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000133639071 371267692 /nfs/dbraw/zinc/26/76/92/371267692.db2.gz UFZSZEYMYYOSDC-LLVKDONJSA-N 1 1 273.336 3.347 20 30 CGEDMO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000134227150 371313853 /nfs/dbraw/zinc/31/38/53/371313853.db2.gz DIUDSWGKOGLAOG-KUHUBIRLSA-N 1 1 292.382 3.382 20 30 CGEDMO C[N@@H+](CCOCC1CC1)Cc1ccccc1C(C)(C)C#N ZINC000135284279 371410816 /nfs/dbraw/zinc/41/08/16/371410816.db2.gz HVCULRZIGIPZPX-UHFFFAOYSA-N 1 1 286.419 3.346 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1cc(OC)c(OC)cc1SC ZINC000134992178 371383139 /nfs/dbraw/zinc/38/31/39/371383139.db2.gz BSGGAFCWGQZSOH-UHFFFAOYSA-N 1 1 287.812 3.268 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)C[C@H]1CC=CCC1 ZINC000344030567 217016822 /nfs/dbraw/zinc/01/68/22/217016822.db2.gz BYEZTJLMQSANDO-AWEZNQCLSA-N 1 1 270.376 3.355 20 30 CGEDMO CCC[N@@H+](C)Cc1ccc(Br)cc1C#N ZINC000286721158 371544043 /nfs/dbraw/zinc/54/40/43/371544043.db2.gz DJHFDZQMDLRPSR-UHFFFAOYSA-N 1 1 267.170 3.163 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cc(=O)n2cccc(C)c2n1 ZINC000150883740 371545762 /nfs/dbraw/zinc/54/57/62/371545762.db2.gz AUGVEZTVIVKNLB-UHFFFAOYSA-N 1 1 299.418 3.181 20 30 CGEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CC(C)(C)C1 ZINC000344034647 217019708 /nfs/dbraw/zinc/01/97/08/217019708.db2.gz HFUBKERNHGFMEU-AWEZNQCLSA-N 1 1 299.418 3.255 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1nc2ccccc2n1C ZINC000421885289 371697956 /nfs/dbraw/zinc/69/79/56/371697956.db2.gz RDCDUPFUHMAKOZ-LLVKDONJSA-N 1 1 296.399 3.357 20 30 CGEDMO C[N@H+](Cc1ccc(F)c(C#N)c1)C[C@H]1CC=CCC1 ZINC000344069231 217036925 /nfs/dbraw/zinc/03/69/25/217036925.db2.gz QMMJAKQLNFXLSA-ZDUSSCGKSA-N 1 1 258.340 3.485 20 30 CGEDMO CC[N@@H+](Cc1c(C)nn(C)c1C)[C@H](C)c1ccc(C#N)cc1 ZINC000154900421 371888509 /nfs/dbraw/zinc/88/85/09/371888509.db2.gz HUAZTIXNCCZHQL-CQSZACIVSA-N 1 1 296.418 3.492 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](C3CC3)C2)c1F ZINC000344134812 217066601 /nfs/dbraw/zinc/06/66/01/217066601.db2.gz ZPTRLSXZWZEWFD-AWEZNQCLSA-N 1 1 258.340 3.319 20 30 CGEDMO CC#CCC[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000157583980 372028202 /nfs/dbraw/zinc/02/82/02/372028202.db2.gz WQLBMOHKQKOSNE-UHFFFAOYSA-N 1 1 286.202 3.201 20 30 CGEDMO CC[N@@H+](CCCC(C)(C)C#N)CCc1nccs1 ZINC000159197482 372115970 /nfs/dbraw/zinc/11/59/70/372115970.db2.gz KSNKIINCBWVZHY-UHFFFAOYSA-N 1 1 265.426 3.337 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000424750221 372097572 /nfs/dbraw/zinc/09/75/72/372097572.db2.gz KLOGMSXTXKIPHC-JKSUJKDBSA-N 1 1 286.419 3.150 20 30 CGEDMO COCC(C)(C)C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000426421875 372156954 /nfs/dbraw/zinc/15/69/54/372156954.db2.gz UCRHCVUZZNPQJY-IAGOWNOFSA-N 1 1 286.419 3.431 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)CC(C)(C)COC ZINC000426399552 372157818 /nfs/dbraw/zinc/15/78/18/372157818.db2.gz AMLIIUKZAGYZSV-UHFFFAOYSA-N 1 1 254.418 3.311 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(OC)cc(OC)c1 ZINC000426571203 372164354 /nfs/dbraw/zinc/16/43/54/372164354.db2.gz SKOPQIWPZWRHDH-AWEZNQCLSA-N 1 1 261.365 3.244 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cccc2c1OCCCO2 ZINC000426560691 372165372 /nfs/dbraw/zinc/16/53/72/372165372.db2.gz RIOYEBVWKBYJGL-OAHLLOKOSA-N 1 1 273.376 3.388 20 30 CGEDMO C=C(Cl)C[NH+]1CCC([C@@H](O)c2ccc(OC)cc2)CC1 ZINC000291604898 372171366 /nfs/dbraw/zinc/17/13/66/372171366.db2.gz BZMPUQJIYNDEEJ-INIZCTEOSA-N 1 1 295.810 3.193 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000291764743 372174296 /nfs/dbraw/zinc/17/42/96/372174296.db2.gz LJPRVNPNBCYINC-GOSISDBHSA-N 1 1 273.420 3.270 20 30 CGEDMO C=CCOCC[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000292848516 372226561 /nfs/dbraw/zinc/22/65/61/372226561.db2.gz QEMJOZSIBGYGBY-SFHVURJKSA-N 1 1 282.387 3.096 20 30 CGEDMO C=CCOCC[N@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000292848516 372226568 /nfs/dbraw/zinc/22/65/68/372226568.db2.gz QEMJOZSIBGYGBY-SFHVURJKSA-N 1 1 282.387 3.096 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@](O)(CC)C2)cc1Cl ZINC000428416741 372195341 /nfs/dbraw/zinc/19/53/41/372195341.db2.gz AXXZEFMLMPRZPB-INIZCTEOSA-N 1 1 295.810 3.252 20 30 CGEDMO CC(C)[N@@H+](CCCCC#N)CCc1nccs1 ZINC000159940901 372196717 /nfs/dbraw/zinc/19/67/17/372196717.db2.gz WGHDTYGILFADEF-UHFFFAOYSA-N 1 1 251.399 3.090 20 30 CGEDMO C=CC[C@@H]1[N@H+](Cc2nnc(C(C)C)[nH]2)CCCC1(C)C ZINC000428976703 372296560 /nfs/dbraw/zinc/29/65/60/372296560.db2.gz JQYMTZIOIFQGHI-ZDUSSCGKSA-N 1 1 276.428 3.495 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2nnc(C(C)C)[nH]2)CCCC1(C)C ZINC000428976703 372296567 /nfs/dbraw/zinc/29/65/67/372296567.db2.gz JQYMTZIOIFQGHI-ZDUSSCGKSA-N 1 1 276.428 3.495 20 30 CGEDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428938100 372284815 /nfs/dbraw/zinc/28/48/15/372284815.db2.gz IBINYRUYNABLMT-KRWDZBQOSA-N 1 1 290.382 3.478 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000429715220 372376940 /nfs/dbraw/zinc/37/69/40/372376940.db2.gz HUMZJVVBDHUGTF-CQSZACIVSA-N 1 1 293.455 3.473 20 30 CGEDMO Cc1cc(C)cc(OCCC[N@@H+](C)[C@@H](C)CC#N)c1 ZINC000161954981 372362991 /nfs/dbraw/zinc/36/29/91/372362991.db2.gz KHNSQPRYFWRKSQ-HNNXBMFYSA-N 1 1 260.381 3.306 20 30 CGEDMO Cc1cc(C)cc(OCCC[N@H+](C)[C@@H](C)CC#N)c1 ZINC000161954981 372362997 /nfs/dbraw/zinc/36/29/97/372362997.db2.gz KHNSQPRYFWRKSQ-HNNXBMFYSA-N 1 1 260.381 3.306 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@H]2CF)cc1 ZINC000293878047 372509454 /nfs/dbraw/zinc/50/94/54/372509454.db2.gz CXZYLKXPMMHCOX-HNNXBMFYSA-N 1 1 261.340 3.023 20 30 CGEDMO C=CCC(C)(C)CNC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000432071620 372533912 /nfs/dbraw/zinc/53/39/12/372533912.db2.gz KUXOYXSUSRBUEM-CABCVRRESA-N 1 1 295.471 3.008 20 30 CGEDMO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C/C=C\C)C(=O)OCC ZINC000432905436 372575397 /nfs/dbraw/zinc/57/53/97/372575397.db2.gz KRAJWOLGQTUCFU-OWDJKXJDSA-N 1 1 253.386 3.075 20 30 CGEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000171074933 372709188 /nfs/dbraw/zinc/70/91/88/372709188.db2.gz YTIIAMBNSBVHNU-UHFFFAOYSA-N 1 1 286.297 3.152 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000171074933 372709194 /nfs/dbraw/zinc/70/91/94/372709194.db2.gz YTIIAMBNSBVHNU-UHFFFAOYSA-N 1 1 286.297 3.152 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000434898078 372715650 /nfs/dbraw/zinc/71/56/50/372715650.db2.gz AXLRFYZQGFOFNU-WMZOPIPTSA-N 1 1 298.430 3.065 20 30 CGEDMO COC[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(F)cc1 ZINC000344634142 217257107 /nfs/dbraw/zinc/25/71/07/217257107.db2.gz UHXDOAIDJWPLJD-OAHLLOKOSA-N 1 1 290.363 3.236 20 30 CGEDMO C=CC[N@@H+](CC[C@@H]1CCOC1)CC1CCCCC1 ZINC000438118713 372890115 /nfs/dbraw/zinc/89/01/15/372890115.db2.gz IBPQJDSGLANOMU-MRXNPFEDSA-N 1 1 251.414 3.481 20 30 CGEDMO Cc1ccc2[nH]c(C[NH2+]Cc3ccc(C#N)s3)nc2c1 ZINC000344712654 217285895 /nfs/dbraw/zinc/28/58/95/217285895.db2.gz BDFPUGFQQXOXST-UHFFFAOYSA-N 1 1 282.372 3.094 20 30 CGEDMO CCC1CCC([NH2+]CCCC(C)(C)C#N)(C(=O)OC)CC1 ZINC000440913585 372994982 /nfs/dbraw/zinc/99/49/82/372994982.db2.gz QENGUCTZWNFZDY-UHFFFAOYSA-N 1 1 294.439 3.418 20 30 CGEDMO C[C@@H]1Cc2[nH+]cn(Cc3ccccc3C#N)c2C[C@H]1C ZINC000296001425 372991279 /nfs/dbraw/zinc/99/12/79/372991279.db2.gz PVLGDVIOMFHHLE-CHWSQXEVSA-N 1 1 265.360 3.174 20 30 CGEDMO Cc1nc(C)c(C[N@H+](C)Cc2cccc(C#N)c2)s1 ZINC000172748620 373025444 /nfs/dbraw/zinc/02/54/44/373025444.db2.gz AQNANJYZMZGRSJ-UHFFFAOYSA-N 1 1 271.389 3.264 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000296080247 373017072 /nfs/dbraw/zinc/01/70/72/373017072.db2.gz PFXKSPSWXIZGMY-BBRMVZONSA-N 1 1 272.392 3.102 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cccn1C ZINC000442682251 373063877 /nfs/dbraw/zinc/06/38/77/373063877.db2.gz OETUJKZVUQLHEY-ZDUSSCGKSA-N 1 1 253.349 3.090 20 30 CGEDMO COc1cc(C[N@@H+](C)CCc2ccc(F)cc2)ccc1C#N ZINC000442796649 373086743 /nfs/dbraw/zinc/08/67/43/373086743.db2.gz GICPZVJSCIHNAL-UHFFFAOYSA-N 1 1 298.361 3.380 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000296313306 373087085 /nfs/dbraw/zinc/08/70/85/373087085.db2.gz OJHQRAQTYCZZIY-AWEZNQCLSA-N 1 1 253.773 3.271 20 30 CGEDMO CC[C@@H]([NH2+]Cc1nccn1CC)c1ccc(C#N)cc1 ZINC000296345374 373098388 /nfs/dbraw/zinc/09/83/88/373098388.db2.gz IBJPDJZSAREXJH-OAHLLOKOSA-N 1 1 268.364 3.016 20 30 CGEDMO COc1cc(C[N@@H+](C)C[C@H]2CC=CCC2)ccc1C#N ZINC000442836753 373101522 /nfs/dbraw/zinc/10/15/22/373101522.db2.gz IDNWIADXKFPTOS-AWEZNQCLSA-N 1 1 270.376 3.355 20 30 CGEDMO N#C[C@@H]1CC[C@@H](NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000442854666 373105540 /nfs/dbraw/zinc/10/55/40/373105540.db2.gz LDVRLYQQBJMNNO-INMHGKMJSA-N 1 1 275.440 3.065 20 30 CGEDMO N#C[C@@H]1CC[C@@H](NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000442854666 373105544 /nfs/dbraw/zinc/10/55/44/373105544.db2.gz LDVRLYQQBJMNNO-INMHGKMJSA-N 1 1 275.440 3.065 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCN2C2CCCCC2)C1 ZINC000442854666 373105546 /nfs/dbraw/zinc/10/55/46/373105546.db2.gz LDVRLYQQBJMNNO-INMHGKMJSA-N 1 1 275.440 3.065 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCO[C@](C)(CC)C2)cc1 ZINC000443864635 373163706 /nfs/dbraw/zinc/16/37/06/373163706.db2.gz UKYOWHRKTKIPHY-QGZVFWFLSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCO[C@](C)(CC)C2)cc1 ZINC000443864635 373163715 /nfs/dbraw/zinc/16/37/15/373163715.db2.gz UKYOWHRKTKIPHY-QGZVFWFLSA-N 1 1 275.392 3.252 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000173395539 373136068 /nfs/dbraw/zinc/13/60/68/373136068.db2.gz ORHYEEWUQPAYPL-LLVKDONJSA-N 1 1 299.305 3.456 20 30 CGEDMO Cc1cc(C)cc(C[N@@H+](C)CCCSCC#N)c1 ZINC000444695389 373238728 /nfs/dbraw/zinc/23/87/28/373238728.db2.gz RWOJTVULXYWVSR-UHFFFAOYSA-N 1 1 262.422 3.382 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)cc1F ZINC000444708110 373245527 /nfs/dbraw/zinc/24/55/27/373245527.db2.gz YYRDLANOXKQCSM-NSHDSACASA-N 1 1 286.272 3.472 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2cnc(C)cn2)CCCC1(C)C ZINC000444772523 373266586 /nfs/dbraw/zinc/26/65/86/373266586.db2.gz ASJSSTNCOHSKOL-OAHLLOKOSA-N 1 1 259.397 3.352 20 30 CGEDMO Cc1cc(CN2CC[N@H+](C)Cc3ccccc32)ccc1C#N ZINC000353589563 220175878 /nfs/dbraw/zinc/17/58/78/220175878.db2.gz QKCHGCLJMBBAFN-UHFFFAOYSA-N 1 1 291.398 3.319 20 30 CGEDMO C[C@@H]1CC[C@H](C)C[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000174472524 373323161 /nfs/dbraw/zinc/32/31/61/373323161.db2.gz DYMQSTYIHLNDTE-NWDGAFQWSA-N 1 1 291.420 3.069 20 30 CGEDMO CC(C)[C@H]1CC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000446733768 373352113 /nfs/dbraw/zinc/35/21/13/373352113.db2.gz ABWLJNIJXCARMS-AWEZNQCLSA-N 1 1 267.376 3.289 20 30 CGEDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000353608056 220186145 /nfs/dbraw/zinc/18/61/45/220186145.db2.gz DHOIHGFWQARESY-CQSZACIVSA-N 1 1 280.371 3.327 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2ccnn2CC)CCCC1(C)C ZINC000446826796 373366734 /nfs/dbraw/zinc/36/67/34/373366734.db2.gz KOAMQSHWRRDHQF-HNNXBMFYSA-N 1 1 261.413 3.470 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2cn(C)nc2C)CCCC1(C)C ZINC000446856260 373370824 /nfs/dbraw/zinc/37/08/24/373370824.db2.gz MRJOIJIIQCNUQP-OAHLLOKOSA-N 1 1 261.413 3.295 20 30 CGEDMO C[N@@H+](CC#Cc1cccc(Cl)c1)[C@H](CO)c1ccccc1 ZINC000446844228 373371649 /nfs/dbraw/zinc/37/16/49/373371649.db2.gz FZSOOWJEHYWEGL-GOSISDBHSA-N 1 1 299.801 3.357 20 30 CGEDMO CC#CCC[N@H+]1CCN(c2cccc3cnccc32)C[C@@H]1C ZINC000447389956 373430325 /nfs/dbraw/zinc/43/03/25/373430325.db2.gz BZZHTLCVSDDNJN-INIZCTEOSA-N 1 1 293.414 3.159 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCCN(c3ccccc3)CC2)c1 ZINC000298727729 373392947 /nfs/dbraw/zinc/39/29/47/373392947.db2.gz MLICKURCMBCTQK-UHFFFAOYSA-N 1 1 291.398 3.271 20 30 CGEDMO CC[C@H]([NH2+]Cc1cscn1)c1ccc(C#N)cc1 ZINC000447564581 373452637 /nfs/dbraw/zinc/45/26/37/373452637.db2.gz XXJHWHZTYRQZDI-AWEZNQCLSA-N 1 1 257.362 3.256 20 30 CGEDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000447837562 373505176 /nfs/dbraw/zinc/50/51/76/373505176.db2.gz VPVCWHRNNXNTPF-RHSMWYFYSA-N 1 1 291.822 3.317 20 30 CGEDMO C=CCN(CC=C)[C@H](C[NH2+]Cc1ncc(C)s1)C(C)C ZINC000449073581 373658459 /nfs/dbraw/zinc/65/84/59/373658459.db2.gz JKSCHOYGNKZBJB-OAHLLOKOSA-N 1 1 293.480 3.240 20 30 CGEDMO CO[C@@H]1CC[N@@H+](CC(C)(C)CCC#N)CC1(C)C ZINC000449503484 373802554 /nfs/dbraw/zinc/80/25/54/373802554.db2.gz UESUNNVOQWUCDG-CYBMUJFWSA-N 1 1 252.402 3.063 20 30 CGEDMO C=CC[N@@H+](CCc1cscn1)Cc1cccs1 ZINC000450221309 374006961 /nfs/dbraw/zinc/00/69/61/374006961.db2.gz QPYFLHFRQXDWFP-UHFFFAOYSA-N 1 1 264.419 3.435 20 30 CGEDMO C[C@H](c1ccccc1)[C@@H](O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000450229030 374010780 /nfs/dbraw/zinc/01/07/80/374010780.db2.gz VYNXEVFYTNFMGZ-BEFAXECRSA-N 1 1 294.398 3.155 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@H](C[N@H+](C)CCC)C2)CCCC1 ZINC000449992307 373980261 /nfs/dbraw/zinc/98/02/61/373980261.db2.gz XTWPJNAMQQUVEQ-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000181101427 374080485 /nfs/dbraw/zinc/08/04/85/374080485.db2.gz CRKDCIIVDSXFNK-JKSUJKDBSA-N 1 1 295.471 3.247 20 30 CGEDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@]3(C#N)C[C@H]3C)c2C1 ZINC000450273968 374033222 /nfs/dbraw/zinc/03/32/22/374033222.db2.gz FBJKOCMCDWMEOA-ACJLOTCBSA-N 1 1 297.402 3.146 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000450463579 374147164 /nfs/dbraw/zinc/14/71/64/374147164.db2.gz QDZXXENXGXWDKS-FUHWJXTLSA-N 1 1 288.435 3.413 20 30 CGEDMO CC(C)C[C@H]1CC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000307781322 374152116 /nfs/dbraw/zinc/15/21/16/374152116.db2.gz VARJKFAQJGPMMY-MRXNPFEDSA-N 1 1 272.392 3.305 20 30 CGEDMO C=CCC1(C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)CCCCC1 ZINC000450536744 374158917 /nfs/dbraw/zinc/15/89/17/374158917.db2.gz AZGMOCJXRDRCDU-GJZGRUSLSA-N 1 1 278.440 3.064 20 30 CGEDMO N#Cc1c(F)cccc1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309545617 374188434 /nfs/dbraw/zinc/18/84/34/374188434.db2.gz PDPMCDHICFNHQL-HNNXBMFYSA-N 1 1 295.361 3.384 20 30 CGEDMO CCC[N@@H+](CCOc1ccccc1C#N)CC(C)C ZINC000311424816 374241436 /nfs/dbraw/zinc/24/14/36/374241436.db2.gz LMELWODFAWCWOE-UHFFFAOYSA-N 1 1 260.381 3.305 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCOCC2(CCC2)C1 ZINC000334140418 206049339 /nfs/dbraw/zinc/04/93/39/206049339.db2.gz GCQSJPJCTVEKMO-AWEZNQCLSA-N 1 1 270.376 3.122 20 30 CGEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCC1(O)CCCCCC1 ZINC000330358937 374454808 /nfs/dbraw/zinc/45/48/08/374454808.db2.gz VNJIAUZRHARAPK-OAHLLOKOSA-N 1 1 296.455 3.293 20 30 CGEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)C(C)(C)C1 ZINC000330993185 374494285 /nfs/dbraw/zinc/49/42/85/374494285.db2.gz LCRAMYMUTGYCNQ-NSHDSACASA-N 1 1 291.420 3.069 20 30 CGEDMO CC[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1nccs1 ZINC000185108516 374589863 /nfs/dbraw/zinc/58/98/63/374589863.db2.gz CHIFBOKGKNULFQ-ZDUSSCGKSA-N 1 1 275.352 3.395 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCCC[C@@H](C)C1 ZINC000185261453 374624226 /nfs/dbraw/zinc/62/42/26/374624226.db2.gz HEEJIYMDXTXATD-CYBMUJFWSA-N 1 1 258.365 3.189 20 30 CGEDMO C[C@H]1[N@@H+](Cc2ccc(F)cc2C#N)CCC12CCOCC2 ZINC000334250889 206258705 /nfs/dbraw/zinc/25/87/05/206258705.db2.gz ZMLMCELOGYNJOW-CYBMUJFWSA-N 1 1 288.366 3.088 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000466649770 374967598 /nfs/dbraw/zinc/96/75/98/374967598.db2.gz ZLZMZHCYTWVKMB-CVEARBPZSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000467295071 374974744 /nfs/dbraw/zinc/97/47/44/374974744.db2.gz HYABNIBWWGAHSQ-OAHLLOKOSA-N 1 1 294.464 3.459 20 30 CGEDMO C[N@@H+](Cc1ccc(Cl)cc1C#N)[C@@H]1CCSC1 ZINC000187334723 375005447 /nfs/dbraw/zinc/00/54/47/375005447.db2.gz MOBYTUYUCJRLSB-CYBMUJFWSA-N 1 1 266.797 3.149 20 30 CGEDMO CC[C@]1(CO)CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000187521981 375035320 /nfs/dbraw/zinc/03/53/20/375035320.db2.gz HKSUWHQURHTVJM-KRWDZBQOSA-N 1 1 291.822 3.176 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccc(C(=O)OC)[nH]1)Cc1ccccc1 ZINC000475284754 375132418 /nfs/dbraw/zinc/13/24/18/375132418.db2.gz DSHDRWYIGVFFOC-UHFFFAOYSA-N 1 1 298.386 3.380 20 30 CGEDMO COc1cccc(C[N@@H+](C)CC#Cc2ccccc2)c1 ZINC000483508860 375182622 /nfs/dbraw/zinc/18/26/22/375182622.db2.gz BCHUXBXHZPWGMC-UHFFFAOYSA-N 1 1 265.356 3.179 20 30 CGEDMO C[C@@H]1CC[C@](CO)([N@@H+](C)Cc2ccc(Cl)cc2C#N)C1 ZINC000188007115 375139273 /nfs/dbraw/zinc/13/92/73/375139273.db2.gz VWNCWSVKAVJCNH-WBMJQRKESA-N 1 1 292.810 3.195 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)N[C@H](c1ccc(C)cc1)C1CC1 ZINC000481234229 375163355 /nfs/dbraw/zinc/16/33/55/375163355.db2.gz IZHQLZBFLZTRQF-GOSISDBHSA-N 1 1 286.419 3.070 20 30 CGEDMO C[N@@H+](CC#Cc1ccccc1Cl)C[C@@H]1CCCC[C@H]1O ZINC000481348051 375163569 /nfs/dbraw/zinc/16/35/69/375163569.db2.gz MXVDJMZCOBUIIX-DOTOQJQBSA-N 1 1 291.822 3.174 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCc1ccc2c(c1)CCO2 ZINC000482068419 375166939 /nfs/dbraw/zinc/16/69/39/375166939.db2.gz LVMRMHNBJJPVBS-UHFFFAOYSA-N 1 1 259.393 3.452 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CCC[C@H]2c2ccncc2)c1 ZINC000335148326 375174203 /nfs/dbraw/zinc/17/42/03/375174203.db2.gz VCQJYVVXKJXELV-HNNXBMFYSA-N 1 1 269.373 3.352 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@H]2c2ccncc2)c1 ZINC000335148326 375174210 /nfs/dbraw/zinc/17/42/10/375174210.db2.gz VCQJYVVXKJXELV-HNNXBMFYSA-N 1 1 269.373 3.352 20 30 CGEDMO C=CC[N@H+](CCOC)[C@@H](C)CCc1cccc(F)c1 ZINC000483420680 375179753 /nfs/dbraw/zinc/17/97/53/375179753.db2.gz LKGDTJYHMYOFAV-AWEZNQCLSA-N 1 1 265.372 3.281 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@]1(Cc1ccccc1)C(=O)OCC ZINC000484296974 375187103 /nfs/dbraw/zinc/18/71/03/375187103.db2.gz GSGPTCPUPZKSAU-GOSISDBHSA-N 1 1 287.403 3.203 20 30 CGEDMO COCC[N@@H+](Cc1ccc(F)cc1C#N)[C@H]1CCC[C@@H]1C ZINC000487999179 375294219 /nfs/dbraw/zinc/29/42/19/375294219.db2.gz LEMRZAZPVHFCRH-GUYCJALGSA-N 1 1 290.382 3.334 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000335592176 375333730 /nfs/dbraw/zinc/33/37/30/375333730.db2.gz RUJLUOBCGUVIGN-IBGZPJMESA-N 1 1 298.430 3.490 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+]([C@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000335702445 375358778 /nfs/dbraw/zinc/35/87/78/375358778.db2.gz WKILEGVAFLUDDV-QAPCUYQASA-N 1 1 277.371 3.340 20 30 CGEDMO Clc1ccccc1C#CC[N@H+]1CCC2(C1)CCOCC2 ZINC000335725936 375379971 /nfs/dbraw/zinc/37/99/71/375379971.db2.gz NJNLZTSVXYCOJY-UHFFFAOYSA-N 1 1 289.806 3.194 20 30 CGEDMO C[C@H]1[N@@H+](Cc2ccc(F)c(C#N)c2)CCC12CCOCC2 ZINC000335816541 375454638 /nfs/dbraw/zinc/45/46/38/375454638.db2.gz SQXAGDFDKSVUKS-CYBMUJFWSA-N 1 1 288.366 3.088 20 30 CGEDMO C[N@@H+](Cc1cccc2[nH]ccc21)C[C@H](C#N)CCC#N ZINC000494108871 375484255 /nfs/dbraw/zinc/48/42/55/375484255.db2.gz QEJHGRXPBSUYIY-ZDUSSCGKSA-N 1 1 266.348 3.043 20 30 CGEDMO C[N@H+](Cc1cccc2[nH]ccc21)C[C@H](C#N)CCC#N ZINC000494108871 375484262 /nfs/dbraw/zinc/48/42/62/375484262.db2.gz QEJHGRXPBSUYIY-ZDUSSCGKSA-N 1 1 266.348 3.043 20 30 CGEDMO C/C(=C\c1ccccc1)C[N@H+](C)C[C@@H](C#N)CCC#N ZINC000494269020 375485910 /nfs/dbraw/zinc/48/59/10/375485910.db2.gz UIIHOJBFAOQUJT-GSPCDJLXSA-N 1 1 267.376 3.465 20 30 CGEDMO C/C(=C\c1ccccc1)C[N@@H+](C)C[C@@H](C#N)CCC#N ZINC000494269020 375485914 /nfs/dbraw/zinc/48/59/14/375485914.db2.gz UIIHOJBFAOQUJT-GSPCDJLXSA-N 1 1 267.376 3.465 20 30 CGEDMO C[C@@H]1[C@H](C)N(C(=O)OC(C)(C)C)CC[N@@H+]1CCCCC#N ZINC000494713612 375492557 /nfs/dbraw/zinc/49/25/57/375492557.db2.gz WUTIAQYIHAKZST-KGLIPLIRSA-N 1 1 295.427 3.010 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@H]2Cc2ccccc2)cc1C#N ZINC000191207402 375594877 /nfs/dbraw/zinc/59/48/77/375594877.db2.gz BDSFLAZHESPHPX-KRWDZBQOSA-N 1 1 279.387 3.104 20 30 CGEDMO C[C@H](CC#N)[N@H+](C)C[C@@H]1CCC2(CCCCC2)O1 ZINC000190982739 375559539 /nfs/dbraw/zinc/55/95/39/375559539.db2.gz QHNWVHOZRQOVOL-KGLIPLIRSA-N 1 1 250.386 3.102 20 30 CGEDMO C[C@H](CC#N)[N@@H+](C)C[C@@H]1CCC2(CCCCC2)O1 ZINC000190982739 375559543 /nfs/dbraw/zinc/55/95/43/375559543.db2.gz QHNWVHOZRQOVOL-KGLIPLIRSA-N 1 1 250.386 3.102 20 30 CGEDMO CC[N@@H+](Cc1cc(C#N)n(C)c1)[C@@H](C)c1cccc(OC)c1 ZINC000191240587 375600085 /nfs/dbraw/zinc/60/00/85/375600085.db2.gz LZGKUBHGOMMYBM-AWEZNQCLSA-N 1 1 297.402 3.488 20 30 CGEDMO C[C@H]1[N@@H+](Cc2cc(F)ccc2C#N)CCC12CCOCC2 ZINC000335997958 375605520 /nfs/dbraw/zinc/60/55/20/375605520.db2.gz XZJBBFRVQZZEOY-CYBMUJFWSA-N 1 1 288.366 3.088 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](CO)c1cccc(Br)c1 ZINC000501436125 375639727 /nfs/dbraw/zinc/63/97/27/375639727.db2.gz QHPISCXRMMXZST-AWEZNQCLSA-N 1 1 298.224 3.381 20 30 CGEDMO OCC[N@@H+](CC#Cc1ccccc1)[C@H]1CCc2ccccc21 ZINC000192058988 375693691 /nfs/dbraw/zinc/69/36/91/375693691.db2.gz MINUUUWBAYWURL-FQEVSTJZSA-N 1 1 291.394 3.020 20 30 CGEDMO C=CCOc1ccc(C[N@H+](CCO)CCCC)cc1Cl ZINC000505881374 375663787 /nfs/dbraw/zinc/66/37/87/375663787.db2.gz KLMDFKHQTQPZQY-UHFFFAOYSA-N 1 1 297.826 3.499 20 30 CGEDMO C[N@@H+](CCOCc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000192068371 375694295 /nfs/dbraw/zinc/69/42/95/375694295.db2.gz QSNTWSBAYFJIND-UHFFFAOYSA-N 1 1 298.361 3.346 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000191889514 375673235 /nfs/dbraw/zinc/67/32/35/375673235.db2.gz MITHJIGYVPCYIV-INIZCTEOSA-N 1 1 285.387 3.160 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000336451433 375796318 /nfs/dbraw/zinc/79/63/18/375796318.db2.gz FPTJRUDWQVQOIX-WMLDXEAASA-N 1 1 294.402 3.232 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCN(Cc2ccc(C)s2)C1 ZINC000516513564 375820834 /nfs/dbraw/zinc/82/08/34/375820834.db2.gz ZHOCPFFCGDRWOA-HNNXBMFYSA-N 1 1 278.465 3.386 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCN(Cc2ccc(C)s2)C1 ZINC000516513564 375820839 /nfs/dbraw/zinc/82/08/39/375820839.db2.gz ZHOCPFFCGDRWOA-HNNXBMFYSA-N 1 1 278.465 3.386 20 30 CGEDMO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000336542218 375819450 /nfs/dbraw/zinc/81/94/50/375819450.db2.gz CLNSYCWAPWIUQK-JOYOIKCWSA-N 1 1 286.272 3.470 20 30 CGEDMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC000336542218 375819455 /nfs/dbraw/zinc/81/94/55/375819455.db2.gz CLNSYCWAPWIUQK-JOYOIKCWSA-N 1 1 286.272 3.470 20 30 CGEDMO C=C(CC)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000511759469 375792129 /nfs/dbraw/zinc/79/21/29/375792129.db2.gz UTEBXIOIVNYFOF-FGTMMUONSA-N 1 1 271.404 3.457 20 30 CGEDMO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C1CCCC1 ZINC000193118523 375829006 /nfs/dbraw/zinc/82/90/06/375829006.db2.gz LPIOPOWEMNDSBF-UHFFFAOYSA-N 1 1 291.782 3.025 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)C[C@H](O)Cc1ccccc1 ZINC000193290676 375854038 /nfs/dbraw/zinc/85/40/38/375854038.db2.gz KDFLRJALGLQRHS-MRXNPFEDSA-N 1 1 287.428 3.340 20 30 CGEDMO CSCC[N@H+](C)Cc1ccc(Br)cc1C#N ZINC000336659391 375896930 /nfs/dbraw/zinc/89/69/30/375896930.db2.gz NCEMLDFQBRLWRN-UHFFFAOYSA-N 1 1 299.237 3.116 20 30 CGEDMO CSCC[N@@H+](C)Cc1ccc(Br)cc1C#N ZINC000336659391 375896932 /nfs/dbraw/zinc/89/69/32/375896932.db2.gz NCEMLDFQBRLWRN-UHFFFAOYSA-N 1 1 299.237 3.116 20 30 CGEDMO C[C@@H](C#N)C[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000529540064 375928287 /nfs/dbraw/zinc/92/82/87/375928287.db2.gz DTAPSZJAJHRJSD-ISVAXAHUSA-N 1 1 252.720 3.216 20 30 CGEDMO CC(C)CC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000336851657 376013584 /nfs/dbraw/zinc/01/35/84/376013584.db2.gz YLYCLBLWVBTXAC-UHFFFAOYSA-N 1 1 299.418 3.397 20 30 CGEDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000194857366 376050275 /nfs/dbraw/zinc/05/02/75/376050275.db2.gz BRZAOFPIVKFCFU-KRWDZBQOSA-N 1 1 294.439 3.228 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@H](C)C(C)(C)C ZINC000536594871 376100278 /nfs/dbraw/zinc/10/02/78/376100278.db2.gz PZMFPFXNAUBZLY-GFCCVEGCSA-N 1 1 260.381 3.433 20 30 CGEDMO CC(C)C[N@@H+](CCCC1(C#N)CCOCC1)C1CC1 ZINC000337122581 376083542 /nfs/dbraw/zinc/08/35/42/376083542.db2.gz AVAOVHGAOJRNLB-UHFFFAOYSA-N 1 1 264.413 3.207 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+](Cc2ccc(C)c(C)c2)C2CC2)C1=O ZINC000337193714 376127311 /nfs/dbraw/zinc/12/73/11/376127311.db2.gz UUBNOESKNUASIG-SFHVURJKSA-N 1 1 298.430 3.055 20 30 CGEDMO C=CC[N@H+](CC(=O)C12CC3CC(CC(C3)C1)C2)C1CC1 ZINC000536744784 376129544 /nfs/dbraw/zinc/12/95/44/376129544.db2.gz QHGSYXWMPULKCH-UHFFFAOYSA-N 1 1 273.420 3.422 20 30 CGEDMO C=CC[N@@H+](CC(=O)C12CC3CC(CC(C3)C1)C2)C1CC1 ZINC000536744784 376129551 /nfs/dbraw/zinc/12/95/51/376129551.db2.gz QHGSYXWMPULKCH-UHFFFAOYSA-N 1 1 273.420 3.422 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)Cc1ccc(OC)cn1 ZINC000338265111 376302499 /nfs/dbraw/zinc/30/24/99/376302499.db2.gz XWBKNXLRPNLDIV-UHFFFAOYSA-N 1 1 274.389 3.340 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc(OC)cn1 ZINC000338265111 376302505 /nfs/dbraw/zinc/30/25/05/376302505.db2.gz XWBKNXLRPNLDIV-UHFFFAOYSA-N 1 1 274.389 3.340 20 30 CGEDMO C=CCC[N@@H+]1CCc2c(Br)cccc2C1 ZINC000338543710 376417626 /nfs/dbraw/zinc/41/76/26/376417626.db2.gz CSAGNNGWDOHVEI-UHFFFAOYSA-N 1 1 266.182 3.383 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](C(=O)NCCCC)C1 ZINC000540341188 376371203 /nfs/dbraw/zinc/37/12/03/376371203.db2.gz XHWDDVUFYVQVLN-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000541388258 376446371 /nfs/dbraw/zinc/44/63/71/376446371.db2.gz ZLAXKWYAEWGDBH-LSDHHAIUSA-N 1 1 280.456 3.168 20 30 CGEDMO C[N@@H+](CCOc1ccccc1F)Cc1ccc(CC#N)cc1 ZINC000542210452 376518675 /nfs/dbraw/zinc/51/86/75/376518675.db2.gz SHUUVXUFAONOIG-UHFFFAOYSA-N 1 1 298.361 3.403 20 30 CGEDMO C[N@@H+](CCOc1ccc(F)cc1)Cc1ccc(CC#N)cc1 ZINC000542210446 376519414 /nfs/dbraw/zinc/51/94/14/376519414.db2.gz ROJRSBGSBIDFPP-UHFFFAOYSA-N 1 1 298.361 3.403 20 30 CGEDMO C=CC[C@H](CC)NC(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000543071073 376602771 /nfs/dbraw/zinc/60/27/71/376602771.db2.gz SHCVQQZJZMKIJT-HOTGVXAUSA-N 1 1 295.471 3.151 20 30 CGEDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1CCCCC(C)(C)C#N ZINC000233925139 376606560 /nfs/dbraw/zinc/60/65/60/376606560.db2.gz MTPQIBIJZWNBHG-UONOGXRCSA-N 1 1 252.402 3.206 20 30 CGEDMO N#Cc1ccc(CNc2[nH]c3ccc(F)cc3[nH+]2)cc1 ZINC000236187876 376661642 /nfs/dbraw/zinc/66/16/42/376661642.db2.gz UUSOQOCVSPCJGO-UHFFFAOYSA-N 1 1 266.279 3.186 20 30 CGEDMO C[C@H](Nc1[nH+]cnc2[nH]ccc21)c1ccc(C#N)cc1 ZINC000339136533 376701441 /nfs/dbraw/zinc/70/14/41/376701441.db2.gz WTTMNUDSSFTOKA-JTQLQIEISA-N 1 1 263.304 3.003 20 30 CGEDMO COc1ccc(C[NH2+]Cc2ccc(C#N)cc2F)cc1F ZINC000237219885 376735743 /nfs/dbraw/zinc/73/57/43/376735743.db2.gz DZOSWTSPIYYNOK-UHFFFAOYSA-N 1 1 288.297 3.135 20 30 CGEDMO N#Cc1ccc(OCC[N@H+]2CC[C@H](CC3CC3)C2)cc1 ZINC000339675438 376800670 /nfs/dbraw/zinc/80/06/70/376800670.db2.gz WVRGZIJWOZAGNY-MRXNPFEDSA-N 1 1 270.376 3.059 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](C)C(C)(C)C1 ZINC000545421473 376821872 /nfs/dbraw/zinc/82/18/72/376821872.db2.gz ZTHGMQQERLXZHY-ZDUSSCGKSA-N 1 1 272.392 3.435 20 30 CGEDMO C=CCOCC[N@@H+]1CC[C@H](c2ccccc2)C[C@@H]1C ZINC000555501715 376858283 /nfs/dbraw/zinc/85/82/83/376858283.db2.gz LQWNKOWPIMHQEA-RDJZCZTQSA-N 1 1 259.393 3.457 20 30 CGEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)C(C)(C)C ZINC000558166527 376978826 /nfs/dbraw/zinc/97/88/26/376978826.db2.gz MCECSUPSIPQNPB-QGZVFWFLSA-N 1 1 288.435 3.423 20 30 CGEDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1C[C@@H](C#N)CCC#N ZINC000247317122 377194394 /nfs/dbraw/zinc/19/43/94/377194394.db2.gz WSXMARFVZOLVPL-BFYDXBDKSA-N 1 1 267.376 3.308 20 30 CGEDMO CC[C@@]1(C)CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000563216373 377421364 /nfs/dbraw/zinc/42/13/64/377421364.db2.gz JXFHTUBVQVJFEB-HNNXBMFYSA-N 1 1 273.336 3.088 20 30 CGEDMO C[C@@H](CC#N)[N@H+](C)C[C@H]1CCC2(CCCCC2)O1 ZINC000248853148 377413611 /nfs/dbraw/zinc/41/36/11/377413611.db2.gz QHNWVHOZRQOVOL-UONOGXRCSA-N 1 1 250.386 3.102 20 30 CGEDMO C[C@@H](CC#N)[N@@H+](C)C[C@H]1CCC2(CCCCC2)O1 ZINC000248853148 377413621 /nfs/dbraw/zinc/41/36/21/377413621.db2.gz QHNWVHOZRQOVOL-UONOGXRCSA-N 1 1 250.386 3.102 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ncccc1O ZINC000566882424 377502778 /nfs/dbraw/zinc/50/27/78/377502778.db2.gz QKWDTBPAIGHVRC-DOTOQJQBSA-N 1 1 293.370 3.059 20 30 CGEDMO CC[N@@H+](C[C@H](C)COC)[C@H](C)c1ccc(C#N)cc1 ZINC000249186755 377477135 /nfs/dbraw/zinc/47/71/35/377477135.db2.gz LGGKHUBAPYBCEF-UONOGXRCSA-N 1 1 260.381 3.224 20 30 CGEDMO N#CCCC1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000566175038 377495037 /nfs/dbraw/zinc/49/50/37/377495037.db2.gz ZJFKAXTVEHPMRF-UHFFFAOYSA-N 1 1 271.339 3.213 20 30 CGEDMO C[N@@H+](CCc1cccc(NCc2ccc(C#N)o2)c1)C1CC1 ZINC000341350908 377522417 /nfs/dbraw/zinc/52/24/17/377522417.db2.gz JGMQSPJKEHMZDU-UHFFFAOYSA-N 1 1 295.386 3.400 20 30 CGEDMO C[C@H]1C[C@H](Nc2ccc(Cl)cc2C#N)CC[N@H+]1C ZINC000090795127 249029738 /nfs/dbraw/zinc/02/97/38/249029738.db2.gz KEHIQCZKEYXSTO-GXFFZTMASA-N 1 1 263.772 3.106 20 30 CGEDMO C[C@H](C#N)C[N@@H+](CCCN(C)c1ccccc1)C1CC1 ZINC000567781937 377510444 /nfs/dbraw/zinc/51/04/44/377510444.db2.gz UVZJPIQSPDBRIK-OAHLLOKOSA-N 1 1 271.408 3.137 20 30 CGEDMO C=CCCCCC[N@@H+](C)Cc1cc(C(C)=O)no1 ZINC000568164628 377513593 /nfs/dbraw/zinc/51/35/93/377513593.db2.gz WBXDBAIDXLRDMJ-UHFFFAOYSA-N 1 1 250.342 3.055 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cc(C(C)=O)no1 ZINC000568164628 377513602 /nfs/dbraw/zinc/51/36/02/377513602.db2.gz WBXDBAIDXLRDMJ-UHFFFAOYSA-N 1 1 250.342 3.055 20 30 CGEDMO C=CCOCC[N@H+](C)[C@H](CC)Cc1ccc(C)cc1 ZINC000570297654 377534217 /nfs/dbraw/zinc/53/42/17/377534217.db2.gz BKCAXCUZTHGXFJ-QGZVFWFLSA-N 1 1 261.409 3.451 20 30 CGEDMO N#Cc1cccc(OCC[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000313409205 249090994 /nfs/dbraw/zinc/09/09/94/249090994.db2.gz VGGUBMNMOPTYAA-IYBDPMFKSA-N 1 1 270.376 3.059 20 30 CGEDMO N#Cc1cccnc1NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000265167389 190163171 /nfs/dbraw/zinc/16/31/71/190163171.db2.gz XRMCWGHEEKWOGS-KRWDZBQOSA-N 1 1 292.386 3.030 20 30 CGEDMO Cc1cc(C[N@@H+]2CC[C@H](OCC(C)C)C2)ccc1C#N ZINC000488228630 249172821 /nfs/dbraw/zinc/17/28/21/249172821.db2.gz GCRPZPRZFUFWAQ-KRWDZBQOSA-N 1 1 272.392 3.114 20 30 CGEDMO C=CC[C@@H](CC)NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000341655917 377610742 /nfs/dbraw/zinc/61/07/42/377610742.db2.gz STMKULIIPRDSQP-CVEARBPZSA-N 1 1 274.408 3.150 20 30 CGEDMO Cc1cc(C[N@H+]2CC(C)(C)[C@@H]2C2CC2)ccc1C#N ZINC000574446019 377664009 /nfs/dbraw/zinc/66/40/09/377664009.db2.gz XOHYPOLKCGVEQR-INIZCTEOSA-N 1 1 254.377 3.487 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)N1CCSc2ccccc21 ZINC000342766068 377779679 /nfs/dbraw/zinc/77/96/79/377779679.db2.gz RPABWERBJMUDIS-ZDUSSCGKSA-N 1 1 290.432 3.022 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000342767155 377780194 /nfs/dbraw/zinc/78/01/94/377780194.db2.gz XKSUIARUOSYJCC-CQSZACIVSA-N 1 1 260.381 3.138 20 30 CGEDMO Cc1cccc(CC[N@H+](C)[C@H](C)c2cccc(C#N)c2)n1 ZINC000575043065 377741332 /nfs/dbraw/zinc/74/13/32/377741332.db2.gz GIIXYNPEAWDGOM-OAHLLOKOSA-N 1 1 279.387 3.497 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000342727495 377758944 /nfs/dbraw/zinc/75/89/44/377758944.db2.gz UNYGFHSUGUODFS-HNNXBMFYSA-N 1 1 292.810 3.343 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc2oc(C(=O)OC)cc2c1 ZINC000342740268 377766587 /nfs/dbraw/zinc/76/65/87/377766587.db2.gz RQYFQQMHBRYXKD-UHFFFAOYSA-N 1 1 273.332 3.227 20 30 CGEDMO N#Cc1ccccc1OCC[N@H+]1CCC[C@H]1C1CCC1 ZINC000343011136 377882810 /nfs/dbraw/zinc/88/28/10/377882810.db2.gz SXTPNADNAVDYGH-INIZCTEOSA-N 1 1 270.376 3.202 20 30 CGEDMO N#Cc1ccccc1OCC[N@H+]1CCC[C@@H]1C1CCC1 ZINC000343011137 377882847 /nfs/dbraw/zinc/88/28/47/377882847.db2.gz SXTPNADNAVDYGH-MRXNPFEDSA-N 1 1 270.376 3.202 20 30 CGEDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000343331567 377954982 /nfs/dbraw/zinc/95/49/82/377954982.db2.gz CJRFUTYUECETNT-CZUORRHYSA-N 1 1 282.391 3.216 20 30 CGEDMO CC(C)Oc1ccc([C@@H](C)[NH2+]CC2(C#N)CC2)cc1 ZINC000343558642 378019077 /nfs/dbraw/zinc/01/90/77/378019077.db2.gz BULNZAMKXQUWPY-CYBMUJFWSA-N 1 1 258.365 3.428 20 30 CGEDMO C=CCC[N@H+](C)Cc1cn(C)nc1-c1cccs1 ZINC000343451279 377983814 /nfs/dbraw/zinc/98/38/14/377983814.db2.gz XTJFUJLEPJKKNN-UHFFFAOYSA-N 1 1 261.394 3.157 20 30 CGEDMO C=CCCCC(=O)N1c2ccc(C)cc2[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000267188233 378031465 /nfs/dbraw/zinc/03/14/65/378031465.db2.gz ZHXIMXLFDOZYBY-WMZOPIPTSA-N 1 1 298.430 3.486 20 30 CGEDMO N#CCCCNc1cc[nH+]c2ccc(Br)cc12 ZINC000343597267 378034027 /nfs/dbraw/zinc/03/40/27/378034027.db2.gz NAHCNQSJPWXSMX-UHFFFAOYSA-N 1 1 290.164 3.135 20 30 CGEDMO C=CCCCCC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000578549533 378079923 /nfs/dbraw/zinc/07/99/23/378079923.db2.gz QJXNJLXXNHFYDI-ARFHVFGLSA-N 1 1 250.430 3.195 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)Cc1nc2ccccc2s1 ZINC000268627318 378083070 /nfs/dbraw/zinc/08/30/70/378083070.db2.gz JRFULQNZSMPDFI-GFCCVEGCSA-N 1 1 276.405 3.055 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)C[C@@H](O)c1ccc(F)cc1 ZINC000266723682 378025800 /nfs/dbraw/zinc/02/58/00/378025800.db2.gz INMUTTGDFMOVEI-MRXNPFEDSA-N 1 1 278.371 3.121 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)C[C@@H](O)c1ccc(F)cc1 ZINC000266723682 378025803 /nfs/dbraw/zinc/02/58/03/378025803.db2.gz INMUTTGDFMOVEI-MRXNPFEDSA-N 1 1 278.371 3.121 20 30 CGEDMO Cc1cc(CN[C@@H](C)C[NH+]2CCC(C)CC2)ccc1C#N ZINC000579130002 378132545 /nfs/dbraw/zinc/13/25/45/378132545.db2.gz KGWCTCQWHIYJGQ-INIZCTEOSA-N 1 1 285.435 3.077 20 30 CGEDMO C=CCOCC[N@H+](CC)Cc1cccc(Br)c1 ZINC000579256526 378145195 /nfs/dbraw/zinc/14/51/95/378145195.db2.gz VQNNCBUCCPTMEH-UHFFFAOYSA-N 1 1 298.224 3.474 20 30 CGEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cncc(OC)c1 ZINC000343972735 378147325 /nfs/dbraw/zinc/14/73/25/378147325.db2.gz OSKWOAZPJCGHKR-UHFFFAOYSA-N 1 1 293.370 3.150 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cncc(OC)c1 ZINC000343972735 378147327 /nfs/dbraw/zinc/14/73/27/378147327.db2.gz OSKWOAZPJCGHKR-UHFFFAOYSA-N 1 1 293.370 3.150 20 30 CGEDMO N#Cc1cccc(Cl)c1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000578691244 378092144 /nfs/dbraw/zinc/09/21/44/378092144.db2.gz OUFDMJQCQVAASE-LLVKDONJSA-N 1 1 275.783 3.108 20 30 CGEDMO COC[C@H]1CCCC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000344320733 378166286 /nfs/dbraw/zinc/16/62/86/378166286.db2.gz HGGSIGNCKXXRJN-HOCLYGCPSA-N 1 1 272.392 3.368 20 30 CGEDMO C[C@]1(c2ccc(F)cc2)CC[N@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000580837970 378262201 /nfs/dbraw/zinc/26/22/01/378262201.db2.gz ODMMDVXJQHKEFP-COXVUDFISA-N 1 1 272.367 3.481 20 30 CGEDMO C#CCCC[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000271059645 378443126 /nfs/dbraw/zinc/44/31/26/378443126.db2.gz SEVFPAPIOSWTBJ-HZPDHXFCSA-N 1 1 275.392 3.361 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)o1 ZINC000271180833 378473394 /nfs/dbraw/zinc/47/33/94/378473394.db2.gz LVNAFKKRIXEXBU-GFCCVEGCSA-N 1 1 270.307 3.280 20 30 CGEDMO Cc1ccc(OC(F)F)c(C[NH+]2CCC(C#N)CC2)c1 ZINC000271214735 378483376 /nfs/dbraw/zinc/48/33/76/378483376.db2.gz WTVBDFWHLRYWMJ-UHFFFAOYSA-N 1 1 280.318 3.332 20 30 CGEDMO C[C@@H](NCC[N@@H+](C)C1CCCC1)c1ccc(C#N)c(F)c1 ZINC000271909417 378513656 /nfs/dbraw/zinc/51/36/56/378513656.db2.gz ADULTYNSDMDOMF-CYBMUJFWSA-N 1 1 289.398 3.222 20 30 CGEDMO C[C@@H]([NH2+]CCN(C)C1CCCC1)c1ccc(C#N)c(F)c1 ZINC000271909417 378513662 /nfs/dbraw/zinc/51/36/62/378513662.db2.gz ADULTYNSDMDOMF-CYBMUJFWSA-N 1 1 289.398 3.222 20 30 CGEDMO CCC1(CC)CCC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)CC1 ZINC000346479603 378590375 /nfs/dbraw/zinc/59/03/75/378590375.db2.gz WVKMUWKLNZMETQ-HNNXBMFYSA-N 1 1 293.455 3.039 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)C[C@@H](O)c1ccccc1F ZINC000272333789 378614468 /nfs/dbraw/zinc/61/44/68/378614468.db2.gz XBPKJTZCZVBRML-QGZVFWFLSA-N 1 1 289.350 3.183 20 30 CGEDMO COc1cc2c(cc1F)C[N@H+](CCC(C)(C)C#N)CC2 ZINC000346963479 378697945 /nfs/dbraw/zinc/69/79/45/378697945.db2.gz MWACZVPBTUVBMW-UHFFFAOYSA-N 1 1 276.355 3.132 20 30 CGEDMO COc1cc2c(cc1F)C[N@@H+](CCC(C)(C)C#N)CC2 ZINC000346963479 378697948 /nfs/dbraw/zinc/69/79/48/378697948.db2.gz MWACZVPBTUVBMW-UHFFFAOYSA-N 1 1 276.355 3.132 20 30 CGEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCOC1 ZINC000346784125 378688658 /nfs/dbraw/zinc/68/86/58/378688658.db2.gz XFDTWTSTJYJJCQ-QGZVFWFLSA-N 1 1 272.392 3.053 20 30 CGEDMO C#CCCCC[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272717781 378693346 /nfs/dbraw/zinc/69/33/46/378693346.db2.gz DSYVXBXTPIXTBS-PKOBYXMFSA-N 1 1 284.447 3.290 20 30 CGEDMO C=CCCC[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272463010 378643389 /nfs/dbraw/zinc/64/33/89/378643389.db2.gz KOOZFSBOACTWAB-FUHWJXTLSA-N 1 1 272.436 3.453 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1c(C)cc(C)nc1OC ZINC000347114858 378707061 /nfs/dbraw/zinc/70/70/61/378707061.db2.gz AXMHPYQJQZTRAJ-CQSZACIVSA-N 1 1 260.381 3.248 20 30 CGEDMO Cc1cc(C2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)n[nH]1 ZINC000272876739 378715667 /nfs/dbraw/zinc/71/56/67/378715667.db2.gz BNSWPRGFIWBWTO-UHFFFAOYSA-N 1 1 298.365 3.109 20 30 CGEDMO C=CCOCCC[N@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000348044412 378764573 /nfs/dbraw/zinc/76/45/73/378764573.db2.gz HNVQZJFQCCIYRB-UKRRQHHQSA-N 1 1 281.421 3.103 20 30 CGEDMO C=CCOCCC[N@@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000348044412 378764577 /nfs/dbraw/zinc/76/45/77/378764577.db2.gz HNVQZJFQCCIYRB-UKRRQHHQSA-N 1 1 281.421 3.103 20 30 CGEDMO C=CCOCCC[N@H+](C)[C@H]1CC[C@@H](SCC)C1 ZINC000348056382 378771451 /nfs/dbraw/zinc/77/14/51/378771451.db2.gz OGEGMEWCZDKSCG-UONOGXRCSA-N 1 1 257.443 3.185 20 30 CGEDMO Cc1csc([C@@H](C)[NH2+]Cc2ccc(CC#N)cc2)n1 ZINC000348098518 378790733 /nfs/dbraw/zinc/79/07/33/378790733.db2.gz TZNIBLGEGMFFQB-GFCCVEGCSA-N 1 1 271.389 3.368 20 30 CGEDMO C=C(C)CC[N@H+](CC)CC(=O)Nc1c(F)cccc1F ZINC000274771581 378892759 /nfs/dbraw/zinc/89/27/59/378892759.db2.gz MVNLZNWKCOEWNX-UHFFFAOYSA-N 1 1 282.334 3.191 20 30 CGEDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1CC(C)(C)CCC#N ZINC000348546434 378986152 /nfs/dbraw/zinc/98/61/52/378986152.db2.gz MTZRJWQOYJJLPA-LSDHHAIUSA-N 1 1 266.429 3.332 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2cnn(CCOC)c2)CCCC1(C)C ZINC000278745419 194135327 /nfs/dbraw/zinc/13/53/27/194135327.db2.gz ROIMLGRMNYOKTF-INIZCTEOSA-N 1 1 291.439 3.096 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1nc(-c2ccccn2)no1 ZINC000371763355 379174438 /nfs/dbraw/zinc/17/44/38/379174438.db2.gz XZULXMOCIWMRLM-UHFFFAOYSA-N 1 1 286.379 3.310 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](c2nccn2C)C2CC2)C1 ZINC000639308695 379259161 /nfs/dbraw/zinc/25/91/61/379259161.db2.gz HUHSTWSDTAWTOJ-UKRRQHHQSA-N 1 1 259.397 3.159 20 30 CGEDMO C[C@H]([NH2+]C1CC(N2CCCCC2)C1)c1ccc(C#N)cc1 ZINC000373524765 379293213 /nfs/dbraw/zinc/29/32/13/379293213.db2.gz UYBUGPVFDSPWQU-NNGSBXSVSA-N 1 1 283.419 3.226 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCOCC2(CCCC2)C1 ZINC000373568496 379300220 /nfs/dbraw/zinc/30/02/20/379300220.db2.gz NNKQRRGBNWPTIQ-UHFFFAOYSA-N 1 1 264.413 3.209 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cn3ccccc3c2C#N)C[C@@H]1C ZINC000347588840 218283589 /nfs/dbraw/zinc/28/35/89/218283589.db2.gz XDWGWAFZVVWLKB-KGLIPLIRSA-N 1 1 267.376 3.289 20 30 CGEDMO FC(F)(F)C[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000278942450 194222865 /nfs/dbraw/zinc/22/28/65/194222865.db2.gz YEAAWOOTIVSITM-AWEZNQCLSA-N 1 1 267.294 3.312 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1c(CC)cccc1CC ZINC000279373932 379422055 /nfs/dbraw/zinc/42/20/55/379422055.db2.gz XINNNPSMBRMIQN-UHFFFAOYSA-N 1 1 286.419 3.094 20 30 CGEDMO C#CC(C)(C)[N@H+](C)CC(=O)Nc1c(CC)cccc1CC ZINC000279373932 379422061 /nfs/dbraw/zinc/42/20/61/379422061.db2.gz XINNNPSMBRMIQN-UHFFFAOYSA-N 1 1 286.419 3.094 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000375011472 379485711 /nfs/dbraw/zinc/48/57/11/379485711.db2.gz FZHLKRVZJLOVHQ-HZPDHXFCSA-N 1 1 278.440 3.455 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000375333228 379493951 /nfs/dbraw/zinc/49/39/51/379493951.db2.gz SFFLQSXKRIGTFV-QGZVFWFLSA-N 1 1 284.403 3.099 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCO[C@@H](C2CC2)C1 ZINC000375333228 379493960 /nfs/dbraw/zinc/49/39/60/379493960.db2.gz SFFLQSXKRIGTFV-QGZVFWFLSA-N 1 1 284.403 3.099 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OCc2noc(C)n2)cc1)C1CC1 ZINC000350272000 379533256 /nfs/dbraw/zinc/53/32/56/379533256.db2.gz WLZIIIZAFNXNHI-UHFFFAOYSA-N 1 1 299.374 3.107 20 30 CGEDMO C=CC[N@H+](Cc1cnc(-c2ccccn2)s1)C1CC1 ZINC000350313006 379537188 /nfs/dbraw/zinc/53/71/88/379537188.db2.gz DKYCIKFWPZUVLI-UHFFFAOYSA-N 1 1 271.389 3.356 20 30 CGEDMO C=CC[N@@H+](Cc1cnc(-c2ccccn2)s1)C1CC1 ZINC000350313006 379537203 /nfs/dbraw/zinc/53/72/03/379537203.db2.gz DKYCIKFWPZUVLI-UHFFFAOYSA-N 1 1 271.389 3.356 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(-n2cccn2)c1)C1CC1 ZINC000350312481 379538315 /nfs/dbraw/zinc/53/83/15/379538315.db2.gz BDCLUJFJBBLSDH-UHFFFAOYSA-N 1 1 253.349 3.023 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@H](c2cccnc2)C1 ZINC000639689914 379547812 /nfs/dbraw/zinc/54/78/12/379547812.db2.gz BNWBLXOCERCDHH-IBGZPJMESA-N 1 1 276.383 3.313 20 30 CGEDMO C=CC[C@H]1[N@H+](CCc2cnccn2)CCCC1(C)C ZINC000639611913 379504613 /nfs/dbraw/zinc/50/46/13/379504613.db2.gz IFVXUIZXRQSVAD-OAHLLOKOSA-N 1 1 259.397 3.086 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H](n2ccnn2)CC1 ZINC000639816483 379598648 /nfs/dbraw/zinc/59/86/48/379598648.db2.gz FKMITLOZUKQICX-GJZGRUSLSA-N 1 1 262.401 3.050 20 30 CGEDMO COC[C@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000267378586 190325390 /nfs/dbraw/zinc/32/53/90/190325390.db2.gz LWMIDBJDTYWICI-AWEZNQCLSA-N 1 1 297.320 3.025 20 30 CGEDMO COc1cc(C[N@@H+](C)C2CC(C)(C)C2)ccc1C#N ZINC000395475884 379922392 /nfs/dbraw/zinc/92/23/92/379922392.db2.gz MKPOSLIYIMCZPH-UHFFFAOYSA-N 1 1 258.365 3.187 20 30 CGEDMO CC(C)C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C1CCCC1 ZINC000388182116 379880703 /nfs/dbraw/zinc/88/07/03/379880703.db2.gz OEPITOCDOLQEFX-UHFFFAOYSA-N 1 1 299.418 3.397 20 30 CGEDMO COc1cc(C[N@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)ccc1C#N ZINC000399660021 379943515 /nfs/dbraw/zinc/94/35/15/379943515.db2.gz KZNGYCPBTIACNC-XQQFMLRXSA-N 1 1 258.365 3.043 20 30 CGEDMO C=C(C)C[N@@H+](CCCC#N)Cc1cnn(C(C)C)c1 ZINC000352959639 380057049 /nfs/dbraw/zinc/05/70/49/380057049.db2.gz ZQIXKAOFIIUNKQ-UHFFFAOYSA-N 1 1 260.385 3.146 20 30 CGEDMO C=C(C)C[N@H+](CCCC#N)Cc1cnn(C(C)C)c1 ZINC000352959639 380057052 /nfs/dbraw/zinc/05/70/52/380057052.db2.gz ZQIXKAOFIIUNKQ-UHFFFAOYSA-N 1 1 260.385 3.146 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1nc2ccccc2[nH]1 ZINC000352931502 380045490 /nfs/dbraw/zinc/04/54/90/380045490.db2.gz NZNOORFTJQMTHZ-UHFFFAOYSA-N 1 1 281.359 3.387 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1nc2ccccc2[nH]1 ZINC000352931502 380045500 /nfs/dbraw/zinc/04/55/00/380045500.db2.gz NZNOORFTJQMTHZ-UHFFFAOYSA-N 1 1 281.359 3.387 20 30 CGEDMO C[C@H](O)[C@H]1CCCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411252041 380136837 /nfs/dbraw/zinc/13/68/37/380136837.db2.gz JBZUTVSXAGYLEL-LSDHHAIUSA-N 1 1 264.413 3.086 20 30 CGEDMO N#CC1(CC[N@H+]2CCOC3(CCCC3)C2)CCCCC1 ZINC000411332884 380141401 /nfs/dbraw/zinc/14/14/01/380141401.db2.gz WCIUUNRERFIGOR-UHFFFAOYSA-N 1 1 276.424 3.496 20 30 CGEDMO Cc1cc(C[NH2+][C@@H](C)c2c(F)cncc2F)ccc1C#N ZINC000353117789 380123282 /nfs/dbraw/zinc/12/32/82/380123282.db2.gz KEMZVRMLCDZPGD-NSHDSACASA-N 1 1 287.313 3.391 20 30 CGEDMO N#CC1(CC[N@@H+](C[C@@H]2CCOC2)C2CC2)CCCCC1 ZINC000411171219 380132440 /nfs/dbraw/zinc/13/24/40/380132440.db2.gz ZBBNEPISHWNCBI-HNNXBMFYSA-N 1 1 276.424 3.351 20 30 CGEDMO C[N@H+](CCSCc1ccccc1)CC(C)(C)C#N ZINC000354018662 380282332 /nfs/dbraw/zinc/28/23/32/380282332.db2.gz RDFALVOGJBMHOQ-UHFFFAOYSA-N 1 1 262.422 3.401 20 30 CGEDMO C[N@@H+](CCSCc1ccccc1)CC(C)(C)C#N ZINC000354018662 380282338 /nfs/dbraw/zinc/28/23/38/380282338.db2.gz RDFALVOGJBMHOQ-UHFFFAOYSA-N 1 1 262.422 3.401 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C[C@H](C)C#N)C2CC2)cc1 ZINC000354025334 380285587 /nfs/dbraw/zinc/28/55/87/380285587.db2.gz BZVMHILNVHVKJK-CQSZACIVSA-N 1 1 270.376 3.375 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C[C@H](C)C#N)C2CC2)cc1 ZINC000354025334 380285594 /nfs/dbraw/zinc/28/55/94/380285594.db2.gz BZVMHILNVHVKJK-CQSZACIVSA-N 1 1 270.376 3.375 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000644786067 380510715 /nfs/dbraw/zinc/51/07/15/380510715.db2.gz BOGDQEOIQLYCDN-LSDHHAIUSA-N 1 1 297.851 3.443 20 30 CGEDMO CC(C)C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000354683467 380525690 /nfs/dbraw/zinc/52/56/90/380525690.db2.gz MNKKSCBYYSXAQJ-KRWDZBQOSA-N 1 1 299.418 3.397 20 30 CGEDMO C=CCN1CCC([NH2+]Cc2ncc(C(C)(C)C)s2)CC1 ZINC000279132131 194297910 /nfs/dbraw/zinc/29/79/10/194297910.db2.gz MVQFSSMPLJYFHT-UHFFFAOYSA-N 1 1 293.480 3.181 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000354786521 380555493 /nfs/dbraw/zinc/55/54/93/380555493.db2.gz KKWROHMSYIAZBD-HNNXBMFYSA-N 1 1 269.392 3.467 20 30 CGEDMO C=CCOCC[N@@H+]1CCCC[C@H]1c1ccccc1OC ZINC000645085875 380575670 /nfs/dbraw/zinc/57/56/70/380575670.db2.gz QHOAOOKAEABANM-INIZCTEOSA-N 1 1 275.392 3.425 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@H]2C)cc1OC ZINC000355131501 380591223 /nfs/dbraw/zinc/59/12/23/380591223.db2.gz IOOJYZVGGJIWFH-ZIAGYGMSSA-N 1 1 275.392 3.490 20 30 CGEDMO CC[N@@H+](CCC#N)C[C@H](C)Cc1ccc(OC)c(F)c1 ZINC000355752514 380768763 /nfs/dbraw/zinc/76/87/63/380768763.db2.gz OLOPZFZRQMCKHH-CYBMUJFWSA-N 1 1 278.371 3.248 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1C[C@H](C)C[C@H](C)[C@H]1C ZINC000355777071 380774922 /nfs/dbraw/zinc/77/49/22/380774922.db2.gz CFMNRODJSJICEY-HZSPNIEDSA-N 1 1 272.392 3.433 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)Cc1c[nH]c2nccnc12 ZINC000356086333 380789864 /nfs/dbraw/zinc/78/98/64/380789864.db2.gz AJCNQNISMRJUJH-UHFFFAOYSA-N 1 1 284.388 3.159 20 30 CGEDMO COCCCC[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000419395155 380827614 /nfs/dbraw/zinc/82/76/14/380827614.db2.gz XVDXRVMYINLMJB-UHFFFAOYSA-N 1 1 252.402 3.209 20 30 CGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2cccnc2C#N)C1 ZINC000357172693 381052126 /nfs/dbraw/zinc/05/21/26/381052126.db2.gz NBZPJGCMXCRRMS-ZBFHGGJFSA-N 1 1 292.386 3.201 20 30 CGEDMO C=C(CC)C[N@@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000358511453 381313491 /nfs/dbraw/zinc/31/34/91/381313491.db2.gz RNMXLEMWMWKWSA-TZMCWYRMSA-N 1 1 251.395 3.476 20 30 CGEDMO C=C(CC)C[N@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000358511453 381313498 /nfs/dbraw/zinc/31/34/98/381313498.db2.gz RNMXLEMWMWKWSA-TZMCWYRMSA-N 1 1 251.395 3.476 20 30 CGEDMO C=C(CC)C[NH+]1CCN(C(=O)Nc2ccc(C)cc2)CC1 ZINC000359605271 381355194 /nfs/dbraw/zinc/35/51/94/381355194.db2.gz FLKHISJTWJXXNE-UHFFFAOYSA-N 1 1 287.407 3.111 20 30 CGEDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000360475314 381553680 /nfs/dbraw/zinc/55/36/80/381553680.db2.gz BJDSWRHIMCWDJI-XJKSGUPXSA-N 1 1 267.376 3.431 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](C)[C@@H]2C)c1C ZINC000361338996 381705208 /nfs/dbraw/zinc/70/52/08/381705208.db2.gz ZBUFTLKTORRTGX-JSGCOSHPSA-N 1 1 274.408 3.204 20 30 CGEDMO CCc1ccc(C[N@@H+](C)Cc2cc(C#N)n(C)c2)cc1 ZINC000361493931 381775577 /nfs/dbraw/zinc/77/55/77/381775577.db2.gz VZXUVBMJGZMLDT-UHFFFAOYSA-N 1 1 267.376 3.091 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccc(F)c2cccnc12 ZINC000361646214 381856131 /nfs/dbraw/zinc/85/61/31/381856131.db2.gz UYXTYPNMJBAWSQ-UHFFFAOYSA-N 1 1 274.339 3.008 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000362301056 381934935 /nfs/dbraw/zinc/93/49/35/381934935.db2.gz PTIZTDQIDXYUHH-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCCC23CCCCC3)cc1 ZINC000363162113 382187890 /nfs/dbraw/zinc/18/78/90/382187890.db2.gz FZIIDGDHCZNZCN-QGZVFWFLSA-N 1 1 284.403 3.390 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@@H]1CCC=CO1 ZINC000365793614 382295000 /nfs/dbraw/zinc/29/50/00/382295000.db2.gz GNTRYHYUEHCVBK-RCCFBDPRSA-N 1 1 282.387 3.451 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@@H]1CCC=CO1 ZINC000365793614 382295003 /nfs/dbraw/zinc/29/50/03/382295003.db2.gz GNTRYHYUEHCVBK-RCCFBDPRSA-N 1 1 282.387 3.451 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000368650019 382380479 /nfs/dbraw/zinc/38/04/79/382380479.db2.gz MKWDMEITSKXIEV-INIZCTEOSA-N 1 1 271.408 3.276 20 30 CGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ncccc2C#N)C1 ZINC000350303698 219007016 /nfs/dbraw/zinc/00/70/16/219007016.db2.gz XAVPLHUWTMQWOX-RHSMWYFYSA-N 1 1 292.386 3.201 20 30 CGEDMO CO[C@]1(C)C[C@H]([N@H+](C)Cc2cccc(F)c2C#N)C1(C)C ZINC000428255550 533378506 /nfs/dbraw/zinc/37/85/06/533378506.db2.gz KSJKRSKLYVARPK-DOTOQJQBSA-N 1 1 290.382 3.333 20 30 CGEDMO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2cccc(F)c2C#N)C1(C)C ZINC000428255550 533378518 /nfs/dbraw/zinc/37/85/18/533378518.db2.gz KSJKRSKLYVARPK-DOTOQJQBSA-N 1 1 290.382 3.333 20 30 CGEDMO C[C@@H](NCC[N@@H+](C)C1CCCC1)c1ccc(C#N)cc1F ZINC000358563365 533391936 /nfs/dbraw/zinc/39/19/36/533391936.db2.gz WGRVHBRVOZHYNL-CYBMUJFWSA-N 1 1 289.398 3.222 20 30 CGEDMO CC(C)CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000027110760 391950718 /nfs/dbraw/zinc/95/07/18/391950718.db2.gz VYJVWRQAXGLCGV-UHFFFAOYSA-N 1 1 285.391 3.007 20 30 CGEDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000055386603 392096889 /nfs/dbraw/zinc/09/68/89/392096889.db2.gz JVPVLGAOLIAOSI-PBHICJAKSA-N 1 1 272.392 3.448 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](CNc2ccc(C#N)c(Cl)c2)C1 ZINC000061846219 392129792 /nfs/dbraw/zinc/12/97/92/392129792.db2.gz KARSAKBJRPUTSS-LBPRGKRZSA-N 1 1 277.799 3.354 20 30 CGEDMO Cc1cc(Br)ccc1C[N@@H+](C)[C@@H](C)CC#N ZINC000093091094 392234712 /nfs/dbraw/zinc/23/47/12/392234712.db2.gz LIFPAKBWHISOAO-NSHDSACASA-N 1 1 281.197 3.492 20 30 CGEDMO Cc1cc(Br)ccc1C[N@H+](C)[C@@H](C)CC#N ZINC000093091094 392234716 /nfs/dbraw/zinc/23/47/16/392234716.db2.gz LIFPAKBWHISOAO-NSHDSACASA-N 1 1 281.197 3.492 20 30 CGEDMO C[NH+](C)[C@H](CNCc1ccc(C#N)cc1)C1CCCCC1 ZINC000069708744 392175924 /nfs/dbraw/zinc/17/59/24/392175924.db2.gz SSPMGVLVYBBDPK-GOSISDBHSA-N 1 1 285.435 3.158 20 30 CGEDMO C[C@H](c1cccnc1)[N@@H+](C)CCOc1ccccc1C#N ZINC000108386221 392342784 /nfs/dbraw/zinc/34/27/84/392342784.db2.gz FZGMPUQEEXGZPL-CQSZACIVSA-N 1 1 281.359 3.025 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000366161498 392451339 /nfs/dbraw/zinc/45/13/39/392451339.db2.gz CSWSLAAOXKYVBO-HOTGVXAUSA-N 1 1 277.433 3.104 20 30 CGEDMO COCCc1cc[nH+]c(N[C@@H](C)c2cccc(C#N)c2)c1 ZINC000287600379 392400964 /nfs/dbraw/zinc/40/09/64/392400964.db2.gz RYAHJCKCQCUSEV-ZDUSSCGKSA-N 1 1 281.359 3.315 20 30 CGEDMO C=CCCCCC[N@@H+](C)[C@@H](C)c1nnnn1-c1ccccc1 ZINC000150881788 392482274 /nfs/dbraw/zinc/48/22/74/392482274.db2.gz RGIKFIOABJFMRF-HNNXBMFYSA-N 1 1 299.422 3.402 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H](C)c1nnnn1-c1ccccc1 ZINC000150881788 392482276 /nfs/dbraw/zinc/48/22/76/392482276.db2.gz RGIKFIOABJFMRF-HNNXBMFYSA-N 1 1 299.422 3.402 20 30 CGEDMO C=CC[N@@H+](CCc1cccnc1)Cc1cccc(C#N)c1 ZINC000172157777 392618526 /nfs/dbraw/zinc/61/85/26/392618526.db2.gz XVVNLZGXWAOMGQ-UHFFFAOYSA-N 1 1 277.371 3.184 20 30 CGEDMO C=CC[C@@H](CC)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000374160748 392671457 /nfs/dbraw/zinc/67/14/57/392671457.db2.gz LFFBLJREUHMXQO-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO CO[C@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000178527227 392680263 /nfs/dbraw/zinc/68/02/63/392680263.db2.gz JDTWGUNOUJMAAP-HNNXBMFYSA-N 1 1 272.392 3.099 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)[C@@H]1C ZINC000172855042 392621402 /nfs/dbraw/zinc/62/14/02/392621402.db2.gz SUTPERJZSKOTQN-HZPDHXFCSA-N 1 1 299.418 3.054 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C#N)o1)[C@@H]1CCc2ccccc21 ZINC000179204442 392690147 /nfs/dbraw/zinc/69/01/47/392690147.db2.gz LLBWFZWNYMRNRE-GOSISDBHSA-N 1 1 276.339 3.274 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(C#N)o1)[C@@H]1CCc2ccccc21 ZINC000179204442 392690156 /nfs/dbraw/zinc/69/01/56/392690156.db2.gz LLBWFZWNYMRNRE-GOSISDBHSA-N 1 1 276.339 3.274 20 30 CGEDMO C[N@@H+](CCCC(C)(C)C#N)C[C@@H]1COc2ccccc2O1 ZINC000174809260 392645784 /nfs/dbraw/zinc/64/57/84/392645784.db2.gz VCEQBQQMXPUBSE-CQSZACIVSA-N 1 1 288.391 3.088 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c(F)c1 ZINC000375314185 392767521 /nfs/dbraw/zinc/76/75/21/392767521.db2.gz LBVQAEZKGMMZCV-MRXNPFEDSA-N 1 1 288.366 3.088 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)c(F)c1 ZINC000375314185 392767529 /nfs/dbraw/zinc/76/75/29/392767529.db2.gz LBVQAEZKGMMZCV-MRXNPFEDSA-N 1 1 288.366 3.088 20 30 CGEDMO CCc1[nH+]ccn1Cc1ccc(C#N)cc1Br ZINC000182389608 392746514 /nfs/dbraw/zinc/74/65/14/392746514.db2.gz XHRCCHCPNAEJMF-UHFFFAOYSA-N 1 1 290.164 3.128 20 30 CGEDMO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(Cl)s1 ZINC000182969921 392751040 /nfs/dbraw/zinc/75/10/40/392751040.db2.gz YFPQINRRZPVUMP-ZJUUUORDSA-N 1 1 267.785 3.496 20 30 CGEDMO Cc1csc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)n1 ZINC000334981510 392759249 /nfs/dbraw/zinc/75/92/49/392759249.db2.gz ZXNCTUFDRRTZGI-AWEZNQCLSA-N 1 1 269.373 3.100 20 30 CGEDMO CC[N@H+](C[C@@H](C)C#N)C[C@@H]1CCC2(CCCCC2)O1 ZINC000190951219 392819671 /nfs/dbraw/zinc/81/96/71/392819671.db2.gz WKWQWMMHPRDDGW-GJZGRUSLSA-N 1 1 264.413 3.350 20 30 CGEDMO CC[N@@H+](C[C@@H](C)C#N)C[C@@H]1CCC2(CCCCC2)O1 ZINC000190951219 392819673 /nfs/dbraw/zinc/81/96/73/392819673.db2.gz WKWQWMMHPRDDGW-GJZGRUSLSA-N 1 1 264.413 3.350 20 30 CGEDMO C[C@H]([NH2+][C@@H]1COc2ccc(F)cc21)c1ccc(C#N)cc1 ZINC000335973743 392825966 /nfs/dbraw/zinc/82/59/66/392825966.db2.gz IAOYXJOXUIXSSY-MEDUHNTESA-N 1 1 282.318 3.482 20 30 CGEDMO N#Cc1cccc(C[NH2+]Cc2nc(-c3ccccc3)c[nH]2)c1 ZINC000194235477 392908694 /nfs/dbraw/zinc/90/86/94/392908694.db2.gz ITFWWHFQLBESPJ-UHFFFAOYSA-N 1 1 288.354 3.238 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](CCCCOc1ccccc1)C1CC1 ZINC000338362040 392912066 /nfs/dbraw/zinc/91/20/66/392912066.db2.gz VVTRWOUODUQWSM-HNNXBMFYSA-N 1 1 272.392 3.470 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](CCCOCCc1ccccc1)C1CC1 ZINC000338384634 392914581 /nfs/dbraw/zinc/91/45/81/392914581.db2.gz SBPUOTBSNUTWSN-INIZCTEOSA-N 1 1 286.419 3.260 20 30 CGEDMO N#CC1CC[NH+](Cc2cnc(-c3ccco3)s2)CC1 ZINC000194363988 392916124 /nfs/dbraw/zinc/91/61/24/392916124.db2.gz BNBNLFCEALXLGF-UHFFFAOYSA-N 1 1 273.361 3.139 20 30 CGEDMO CC[C@H](CC#N)NCc1ccccc1C[NH2+][C@H](CC)CC#N ZINC000519648832 392877407 /nfs/dbraw/zinc/87/74/07/392877407.db2.gz OSOVSOMCOCTAKZ-QZTJIDSGSA-N 1 1 298.434 3.250 20 30 CGEDMO N#CCCOCC[N@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000339062123 392943817 /nfs/dbraw/zinc/94/38/17/392943817.db2.gz XEVZNZSVCASDKQ-UHFFFAOYSA-N 1 1 290.794 3.359 20 30 CGEDMO N#CCCOCC[N@@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000339062123 392943822 /nfs/dbraw/zinc/94/38/22/392943822.db2.gz XEVZNZSVCASDKQ-UHFFFAOYSA-N 1 1 290.794 3.359 20 30 CGEDMO CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)CCOCCC#N ZINC000339013037 392941659 /nfs/dbraw/zinc/94/16/59/392941659.db2.gz JYEAVORDXSUNSC-KRWDZBQOSA-N 1 1 292.398 3.255 20 30 CGEDMO N#CCCOCC[N@H+]1CCC[C@H]1CCC1CCCC1 ZINC000339024554 392941961 /nfs/dbraw/zinc/94/19/61/392941961.db2.gz UHUXIPVSJGLFMH-INIZCTEOSA-N 1 1 264.413 3.351 20 30 CGEDMO CC(C)C[C@@H]1CCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000396865606 392943553 /nfs/dbraw/zinc/94/35/53/392943553.db2.gz KPEKEIZVGNLWEI-INIZCTEOSA-N 1 1 272.392 3.448 20 30 CGEDMO C=CCOCC[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000339058806 392943598 /nfs/dbraw/zinc/94/35/98/392943598.db2.gz YUNWLFLTZUORKF-UHFFFAOYSA-N 1 1 257.736 3.114 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](c3c(F)cccc3F)C2)C1 ZINC000339095165 392949877 /nfs/dbraw/zinc/94/98/77/392949877.db2.gz JMJFGRBOGWDQCX-UPJWGTAASA-N 1 1 276.330 3.446 20 30 CGEDMO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000404083917 392962437 /nfs/dbraw/zinc/96/24/37/392962437.db2.gz QLJBAXMSNQFZKY-CQSZACIVSA-N 1 1 276.355 3.087 20 30 CGEDMO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000404083917 392962445 /nfs/dbraw/zinc/96/24/45/392962445.db2.gz QLJBAXMSNQFZKY-CQSZACIVSA-N 1 1 276.355 3.087 20 30 CGEDMO Cc1nc(C[NH2+]Cc2ccc(C#N)c(F)c2)sc1C ZINC000404136130 392962903 /nfs/dbraw/zinc/96/29/03/392962903.db2.gz XEBDMIQZYPGJDR-UHFFFAOYSA-N 1 1 275.352 3.061 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000411693949 392985017 /nfs/dbraw/zinc/98/50/17/392985017.db2.gz GNQMJXCIDDGULY-ZDUSSCGKSA-N 1 1 293.361 3.169 20 30 CGEDMO CC(C)[N@@H+](CCC1(C#N)CCCCC1)[C@H]1CCOC1 ZINC000411750092 392986102 /nfs/dbraw/zinc/98/61/02/392986102.db2.gz XNKQEBIJSMDNJR-HNNXBMFYSA-N 1 1 264.413 3.350 20 30 CGEDMO C=C(C)CC[N@H+]([C@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000411910288 392991340 /nfs/dbraw/zinc/99/13/40/392991340.db2.gz UOCFSRKXHYACFY-GFCCVEGCSA-N 1 1 253.386 3.147 20 30 CGEDMO Cc1cc(N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc(C#N)n1 ZINC000341726597 392991545 /nfs/dbraw/zinc/99/15/45/392991545.db2.gz HYBMOIDQTRIERF-UXLLHSPISA-N 1 1 298.434 3.103 20 30 CGEDMO C=CCOCC[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412015714 392993363 /nfs/dbraw/zinc/99/33/63/392993363.db2.gz TYNSSHYPZGFZTL-KRWDZBQOSA-N 1 1 287.403 3.043 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](CC)Cc1occc1C ZINC000412049366 392994805 /nfs/dbraw/zinc/99/48/05/392994805.db2.gz YENKLMUVNBBOKR-OAHLLOKOSA-N 1 1 292.423 3.223 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](CC)Cc1occc1C ZINC000412049366 392994811 /nfs/dbraw/zinc/99/48/11/392994811.db2.gz YENKLMUVNBBOKR-OAHLLOKOSA-N 1 1 292.423 3.223 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2ncc(C)n2C)CCCC1(C)C ZINC000342848827 393011395 /nfs/dbraw/zinc/01/13/95/393011395.db2.gz RJZXAKKWIMYGOF-CQSZACIVSA-N 1 1 261.413 3.295 20 30 CGEDMO COc1cc2[nH+]ccc(N(C)CC(C)(C)C#N)c2cc1OC ZINC000413292758 393021764 /nfs/dbraw/zinc/02/17/64/393021764.db2.gz GPBXBRUVTSHOAQ-UHFFFAOYSA-N 1 1 299.374 3.238 20 30 CGEDMO C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CC1(C#N)CC1 ZINC000343312983 393024928 /nfs/dbraw/zinc/02/49/28/393024928.db2.gz FSLDULMLHCNTIJ-GOEBONIOSA-N 1 1 254.377 3.243 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@]2(C)CCCO)cc1 ZINC000349192744 393141247 /nfs/dbraw/zinc/14/12/47/393141247.db2.gz PHXGKDZVQFHAJZ-GOSISDBHSA-N 1 1 289.419 3.378 20 30 CGEDMO C=C(C)CN1CC[N@@H+](CC(=C)C)[C@H]([C@@H](C)CC)C1 ZINC000270010174 393235199 /nfs/dbraw/zinc/23/51/99/393235199.db2.gz LPPCSQRYHWALML-HOTGVXAUSA-N 1 1 250.430 3.171 20 30 CGEDMO C=C(C)CN1CC[N@@H+](CC(=C)C)C[C@H]1[C@@H](C)CC ZINC000270010174 393235206 /nfs/dbraw/zinc/23/52/06/393235206.db2.gz LPPCSQRYHWALML-HOTGVXAUSA-N 1 1 250.430 3.171 20 30 CGEDMO C=C(C)CN1CC[N@H+](CC(=C)C)C[C@H]1[C@@H](C)CC ZINC000270010174 393235210 /nfs/dbraw/zinc/23/52/10/393235210.db2.gz LPPCSQRYHWALML-HOTGVXAUSA-N 1 1 250.430 3.171 20 30 CGEDMO C[C@H]1CCSCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000276750712 393301258 /nfs/dbraw/zinc/30/12/58/393301258.db2.gz FMRXSYIRAFQGQW-NSHDSACASA-N 1 1 264.369 3.025 20 30 CGEDMO C=CCC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1 ZINC000648835450 393267971 /nfs/dbraw/zinc/26/79/71/393267971.db2.gz RSELLTDFLANWKM-OIISXLGYSA-N 1 1 286.419 3.150 20 30 CGEDMO C=CC[N@@H+](Cc1cncn1CC)Cc1ccccc1 ZINC000417718214 393352205 /nfs/dbraw/zinc/35/22/05/393352205.db2.gz OAHJYZYCYNCFAZ-UHFFFAOYSA-N 1 1 255.365 3.091 20 30 CGEDMO C=CC[N@H+](Cc1cncn1CC)Cc1ccccc1 ZINC000417718214 393352210 /nfs/dbraw/zinc/35/22/10/393352210.db2.gz OAHJYZYCYNCFAZ-UHFFFAOYSA-N 1 1 255.365 3.091 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+](C)Cc1c2ccccc2oc1CC ZINC000649222731 393374882 /nfs/dbraw/zinc/37/48/82/393374882.db2.gz IHPAJKSDNOGOAT-OAHLLOKOSA-N 1 1 273.376 3.364 20 30 CGEDMO C[C@@H]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2sccc2C#N)C1 ZINC000429568112 393484323 /nfs/dbraw/zinc/48/43/23/393484323.db2.gz NUJHFPSUCYQPCM-DGCLKSJQSA-N 1 1 291.420 3.069 20 30 CGEDMO CC(C)(C)C[N@H+](CC#Cc1ccc(Cl)cc1)CCCO ZINC000427026344 393453742 /nfs/dbraw/zinc/45/37/42/393453742.db2.gz JBSDACLXOXVPRT-UHFFFAOYSA-N 1 1 293.838 3.422 20 30 CGEDMO COc1cccc2c1CC[N@@H+](Cc1ccc(C#N)c(C)c1)C2 ZINC000488256171 393475221 /nfs/dbraw/zinc/47/52/21/393475221.db2.gz POBBGAMBMPFLKU-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO C[N@@H+](CCOc1ccc(C#N)cc1)C1(C)CCCC1 ZINC000489879011 393619064 /nfs/dbraw/zinc/61/90/64/393619064.db2.gz CFFBWSISLCRTRR-UHFFFAOYSA-N 1 1 258.365 3.202 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](O)C2(C)C)cc1Cl ZINC000361065332 393662932 /nfs/dbraw/zinc/66/29/32/393662932.db2.gz JDKYLUPTGRJTKM-OAHLLOKOSA-N 1 1 295.810 3.250 20 30 CGEDMO COC(=O)c1ccc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)o1 ZINC000442679712 393738378 /nfs/dbraw/zinc/73/83/78/393738378.db2.gz PPHHJIDSIZDVJH-GFCCVEGCSA-N 1 1 298.342 3.131 20 30 CGEDMO COC(=O)c1ccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)o1 ZINC000442679712 393738381 /nfs/dbraw/zinc/73/83/81/393738381.db2.gz PPHHJIDSIZDVJH-GFCCVEGCSA-N 1 1 298.342 3.131 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)CC1(O)CCC(C)CC1 ZINC000434824984 393713812 /nfs/dbraw/zinc/71/38/12/393713812.db2.gz GJHIHTGFSPGFRW-UHFFFAOYSA-N 1 1 298.430 3.487 20 30 CGEDMO CC1(C)CCC[N@@H+](CCNc2ccc(C#N)cc2)C1 ZINC000443963755 393778773 /nfs/dbraw/zinc/77/87/73/393778773.db2.gz OWPSNNULEOGTKA-UHFFFAOYSA-N 1 1 257.381 3.092 20 30 CGEDMO Cc1cc(CNCCC[N@@H+]2CCCC[C@H]2C)ccc1C#N ZINC000443988950 393780432 /nfs/dbraw/zinc/78/04/32/393780432.db2.gz PWBLTGWCDCFIIN-MRXNPFEDSA-N 1 1 285.435 3.221 20 30 CGEDMO CC[C@@H]1CCCC[N@H+]1CCNCc1ccc(C#N)c(C)c1 ZINC000444005432 393783261 /nfs/dbraw/zinc/78/32/61/393783261.db2.gz QURLBCIPDIOHPU-GOSISDBHSA-N 1 1 285.435 3.221 20 30 CGEDMO CC[C@@H]1CCCCN1CC[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000444005432 393783263 /nfs/dbraw/zinc/78/32/63/393783263.db2.gz QURLBCIPDIOHPU-GOSISDBHSA-N 1 1 285.435 3.221 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)c(F)c1 ZINC000449535405 393887495 /nfs/dbraw/zinc/88/74/95/393887495.db2.gz HQPUMIFZNLGLHI-DOTOQJQBSA-N 1 1 270.351 3.318 20 30 CGEDMO CC1(C)CCCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000446064393 393843324 /nfs/dbraw/zinc/84/33/24/393843324.db2.gz VGTHXYULKMVGPB-UHFFFAOYSA-N 1 1 299.418 3.399 20 30 CGEDMO CC1(C)CCCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000446066300 393844371 /nfs/dbraw/zinc/84/43/71/393844371.db2.gz ADZIUUOUEUKYRW-UHFFFAOYSA-N 1 1 299.418 3.399 20 30 CGEDMO CC(C)[N@@H+](Cc1cc(C#N)n(C)c1)C1CC(C)(C)C1 ZINC000449784085 393943980 /nfs/dbraw/zinc/94/39/80/393943980.db2.gz UZVFGSMKVASHNT-UHFFFAOYSA-N 1 1 259.397 3.296 20 30 CGEDMO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1cc(C#N)cs1 ZINC000453619779 394261035 /nfs/dbraw/zinc/26/10/35/394261035.db2.gz KUPIOSFPQBUIJX-UHFFFAOYSA-N 1 1 288.420 3.011 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1ccnn1CCC ZINC000667947416 542948968 /nfs/dbraw/zinc/94/89/68/542948968.db2.gz PGVQFJRMIUZSHA-UHFFFAOYSA-N 1 1 273.380 3.117 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(O[C@H]2CCOC2)cc1)C1CC1 ZINC000667982802 542953325 /nfs/dbraw/zinc/95/33/25/542953325.db2.gz QMCOSSYITUNIOT-KRWDZBQOSA-N 1 1 273.376 3.005 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000668492562 543019804 /nfs/dbraw/zinc/01/98/04/543019804.db2.gz CVZOEUKNNFUFPV-HNNXBMFYSA-N 1 1 282.391 3.055 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2c(C3CCC3)cnn2C)C1 ZINC000668494127 543020038 /nfs/dbraw/zinc/02/00/38/543020038.db2.gz WFAGMEMNGZPKQC-AWEZNQCLSA-N 1 1 273.424 3.476 20 30 CGEDMO C=C(C)[C@@H](CO)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000669944571 543135772 /nfs/dbraw/zinc/13/57/72/543135772.db2.gz PLARGBIMQLKDCV-XMTFNYHQSA-N 1 1 271.404 3.334 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CCC[C@@H](c2ccc(CC)cc2)C1 ZINC000671732997 543183134 /nfs/dbraw/zinc/18/31/34/543183134.db2.gz RTLFONKSVWXLGB-MSOLQXFVSA-N 1 1 273.420 3.365 20 30 CGEDMO CC(C)(C)C[N@H+](CC#Cc1ccc(Cl)cc1)CCO ZINC000674250633 543277320 /nfs/dbraw/zinc/27/73/20/543277320.db2.gz DGQIRLSMKIUVBW-UHFFFAOYSA-N 1 1 279.811 3.032 20 30 CGEDMO C=CCC[N@H+]1CCN(Cc2ccccc2)[C@@H](CC)C1 ZINC000338566451 397683776 /nfs/dbraw/zinc/68/37/76/397683776.db2.gz ISIXOMSFCUAWFA-KRWDZBQOSA-N 1 1 258.409 3.159 20 30 CGEDMO C=CCCN1CC[N@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC000338566451 397683778 /nfs/dbraw/zinc/68/37/78/397683778.db2.gz ISIXOMSFCUAWFA-KRWDZBQOSA-N 1 1 258.409 3.159 20 30 CGEDMO C=CCCN1CC[N@@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC000338566451 397683780 /nfs/dbraw/zinc/68/37/80/397683780.db2.gz ISIXOMSFCUAWFA-KRWDZBQOSA-N 1 1 258.409 3.159 20 30 CGEDMO CC(C)C[C@H](CN[C@H](C)c1ccc(C#N)c(F)c1)[NH+](C)C ZINC000537408737 397711688 /nfs/dbraw/zinc/71/16/88/397711688.db2.gz LKIQFMSNBKYHSP-CZUORRHYSA-N 1 1 291.414 3.324 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000674460855 543286732 /nfs/dbraw/zinc/28/67/32/543286732.db2.gz UDKGAWKNOXSMEY-OCAPTIKFSA-N 1 1 261.209 3.235 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000674460855 543286734 /nfs/dbraw/zinc/28/67/34/543286734.db2.gz UDKGAWKNOXSMEY-OCAPTIKFSA-N 1 1 261.209 3.235 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000675496951 543344155 /nfs/dbraw/zinc/34/41/55/543344155.db2.gz FPIWUKMIOXCECA-DOMZBBRYSA-N 1 1 263.356 3.072 20 30 CGEDMO C=C(C)[C@@H](CO)[N@@H+](C)Cc1csc2ccccc12 ZINC000677048317 543427530 /nfs/dbraw/zinc/42/75/30/543427530.db2.gz VLKDOPBLJWSABM-CQSZACIVSA-N 1 1 261.390 3.270 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000677047054 543427919 /nfs/dbraw/zinc/42/79/19/543427919.db2.gz QALZLSJTWBOJGC-INIZCTEOSA-N 1 1 288.410 3.135 20 30 CGEDMO CCC#C[C@H](C)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000677047054 543427920 /nfs/dbraw/zinc/42/79/20/543427920.db2.gz QALZLSJTWBOJGC-INIZCTEOSA-N 1 1 288.410 3.135 20 30 CGEDMO CCC#C[C@H](C)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000677047054 543427921 /nfs/dbraw/zinc/42/79/21/543427921.db2.gz QALZLSJTWBOJGC-INIZCTEOSA-N 1 1 288.410 3.135 20 30 CGEDMO COCC#CC[N@@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000677817917 543467321 /nfs/dbraw/zinc/46/73/21/543467321.db2.gz CEPHUQFEZPFLDI-UHFFFAOYSA-N 1 1 279.383 3.454 20 30 CGEDMO COCC#CC[N@H+]1CC[C@@H](C)C[C@@H]1c1ccc(C)o1 ZINC000677820723 543468361 /nfs/dbraw/zinc/46/83/61/543468361.db2.gz TZBJMGSSFRYVIR-UKRRQHHQSA-N 1 1 261.365 3.011 20 30 CGEDMO CCC#C[C@H](C)[N@@H+](CC)Cc1ccc2c(c1)OCO2 ZINC000677951942 543474519 /nfs/dbraw/zinc/47/45/19/543474519.db2.gz ZFYGFZTWWAKSQX-ZDUSSCGKSA-N 1 1 259.349 3.039 20 30 CGEDMO C[C@@H](NCCC[NH+]1CCC(C)CC1)c1ccc(C#N)cc1 ZINC000020146270 287023803 /nfs/dbraw/zinc/02/38/03/287023803.db2.gz KGPJIFRYMRHPCT-MRXNPFEDSA-N 1 1 285.435 3.331 20 30 CGEDMO CC[C@@H]1CCC[N@@H+](CCOc2ccc(C#N)cc2)CC1 ZINC000079054466 287053588 /nfs/dbraw/zinc/05/35/88/287053588.db2.gz MUQJHGJMSMUPKN-OAHLLOKOSA-N 1 1 272.392 3.449 20 30 CGEDMO C[N@@H+](CCc1ccccc1F)Cc1cccc(C#N)c1 ZINC000068861514 165046300 /nfs/dbraw/zinc/04/63/00/165046300.db2.gz LTSGKYXNCCUAMF-UHFFFAOYSA-N 1 1 268.335 3.372 20 30 CGEDMO Cn1cccc1[C@H]1CCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000076613374 165117478 /nfs/dbraw/zinc/11/74/78/165117478.db2.gz CVZDHTGZHXSMFB-GOSISDBHSA-N 1 1 295.386 3.113 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@@H](C)c2ccncc2)cc1C#N ZINC000091988441 165276490 /nfs/dbraw/zinc/27/64/90/165276490.db2.gz QGHFKZBTORMJFB-ZDUSSCGKSA-N 1 1 281.359 3.155 20 30 CGEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@H]3C3CCCC3)n2c1 ZINC000092401474 165295694 /nfs/dbraw/zinc/29/56/94/165295694.db2.gz YYSHYRIRLMOZOZ-KRWDZBQOSA-N 1 1 294.402 3.361 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000342026121 287131742 /nfs/dbraw/zinc/13/17/42/287131742.db2.gz VZDUZDSHEHHHQU-WMLDXEAASA-N 1 1 270.376 3.122 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000118394616 287131934 /nfs/dbraw/zinc/13/19/34/287131934.db2.gz NVFXNDSOYDAGHU-STQMWFEESA-N 1 1 258.365 3.119 20 30 CGEDMO CCC[N@@H+](CCc1cscn1)Cc1ccc(C#N)cc1 ZINC000284436781 196054114 /nfs/dbraw/zinc/05/41/14/196054114.db2.gz YYFCLNIQQDQMLD-UHFFFAOYSA-N 1 1 285.416 3.469 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](C(C)C)C1CCC1 ZINC000125533298 287246504 /nfs/dbraw/zinc/24/65/04/287246504.db2.gz UNABTCZAFDUPBQ-UHFFFAOYSA-N 1 1 258.365 3.330 20 30 CGEDMO C[N@H+](CCCNCc1cccc(C#N)c1)Cc1ccccc1 ZINC000020827422 171274272 /nfs/dbraw/zinc/27/42/72/171274272.db2.gz SHNVSZJPJZPNNL-UHFFFAOYSA-N 1 1 293.414 3.170 20 30 CGEDMO C[N@@H+](CCCNCc1cccc(C#N)c1)Cc1ccccc1 ZINC000020827422 171274274 /nfs/dbraw/zinc/27/42/74/171274274.db2.gz SHNVSZJPJZPNNL-UHFFFAOYSA-N 1 1 293.414 3.170 20 30 CGEDMO CN(CCC[NH2+]Cc1cccc(C#N)c1)Cc1ccccc1 ZINC000020827422 171274276 /nfs/dbraw/zinc/27/42/76/171274276.db2.gz SHNVSZJPJZPNNL-UHFFFAOYSA-N 1 1 293.414 3.170 20 30 CGEDMO CCC(CC)[N@@H+](CCOC)Cc1cccc(C#N)c1 ZINC000042616413 174830595 /nfs/dbraw/zinc/83/05/95/174830595.db2.gz RNBAJUKKAPKYMT-UHFFFAOYSA-N 1 1 260.381 3.195 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)[C@@H]1CCO[C@H](C)C1 ZINC000420906967 416563783 /nfs/dbraw/zinc/56/37/83/416563783.db2.gz UKVXKGQDXUFLHV-NVXWUHKLSA-N 1 1 259.393 3.285 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000680108860 543685768 /nfs/dbraw/zinc/68/57/68/543685768.db2.gz KPRHOWZUPLGGOM-BBRMVZONSA-N 1 1 261.340 3.081 20 30 CGEDMO CCC#C[C@@H](C)[NH2+][C@H](COCC(C)C)c1ccco1 ZINC000680391270 543707613 /nfs/dbraw/zinc/70/76/13/543707613.db2.gz IEGSFZGTMBJIFC-HUUCEWRRSA-N 1 1 263.381 3.385 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(OC)c(O[C@@H](C)CC)c1 ZINC000681758216 543806892 /nfs/dbraw/zinc/80/68/92/543806892.db2.gz MFCNGYPDJHBWMU-ZDUSSCGKSA-N 1 1 263.381 3.490 20 30 CGEDMO Cc1cccn2c(C[N@@H+](C)Cc3ccc(C#N)cc3)cnc12 ZINC000131187927 287372649 /nfs/dbraw/zinc/37/26/49/287372649.db2.gz CMBVNOSQLAMCNH-UHFFFAOYSA-N 1 1 290.370 3.146 20 30 CGEDMO Cc1cccn2c(C[N@H+](C)Cc3ccc(C#N)cc3)cnc12 ZINC000131187927 287372652 /nfs/dbraw/zinc/37/26/52/287372652.db2.gz CMBVNOSQLAMCNH-UHFFFAOYSA-N 1 1 290.370 3.146 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC[C@@H]1CCCO1 ZINC000346282657 225745371 /nfs/dbraw/zinc/74/53/71/225745371.db2.gz RFRXBHCSSKJTIO-KSZLIROESA-N 1 1 284.403 3.327 20 30 CGEDMO C=CC[C@H]1[N@@H+](CCCc2cnn(C)c2)CCCC1(C)C ZINC000683527885 543920833 /nfs/dbraw/zinc/92/08/33/543920833.db2.gz PDKXNMGFYOWUTP-MRXNPFEDSA-N 1 1 275.440 3.419 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cn2cccc(C)c2n1 ZINC000683793144 543943109 /nfs/dbraw/zinc/94/31/09/543943109.db2.gz RIKKNIIEMYDMME-OAHLLOKOSA-N 1 1 255.365 3.183 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cn2cccc(C)c2n1 ZINC000683793144 543943111 /nfs/dbraw/zinc/94/31/11/543943111.db2.gz RIKKNIIEMYDMME-OAHLLOKOSA-N 1 1 255.365 3.183 20 30 CGEDMO N#CC1(C[NH+]2CCC(OCCc3ccccc3)CC2)CC1 ZINC000347430956 226155090 /nfs/dbraw/zinc/15/50/90/226155090.db2.gz ROAJVKLITDQQDT-UHFFFAOYSA-N 1 1 284.403 3.014 20 30 CGEDMO CCC#C[C@@H](C)[N@@H+](C)CCCOCc1ccccc1 ZINC000685007403 544051758 /nfs/dbraw/zinc/05/17/58/544051758.db2.gz PHBMZLMRVOEHQM-MRXNPFEDSA-N 1 1 259.393 3.327 20 30 CGEDMO C=CCCn1cc(C[N@H+]([C@H](C)[C@@H](C)CC)C2CC2)nn1 ZINC000653547389 419044850 /nfs/dbraw/zinc/04/48/50/419044850.db2.gz JJJJTKHRBRTWGW-UONOGXRCSA-N 1 1 276.428 3.253 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@@H](c2cccs2)C2CC2)nn1 ZINC000653598439 419057697 /nfs/dbraw/zinc/05/76/97/419057697.db2.gz ZVBXEEBBRSLJJW-OAHLLOKOSA-N 1 1 288.420 3.157 20 30 CGEDMO C=CC[N@@H+](CCOC)Cc1cccc(F)c1OC(F)F ZINC000660404266 419137772 /nfs/dbraw/zinc/13/77/72/419137772.db2.gz XFIDGXOZWBIJPH-UHFFFAOYSA-N 1 1 289.297 3.062 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cccc(F)c1OC(F)F ZINC000660404266 419137776 /nfs/dbraw/zinc/13/77/76/419137776.db2.gz XFIDGXOZWBIJPH-UHFFFAOYSA-N 1 1 289.297 3.062 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)CC1CC=CC1 ZINC000660536886 419157534 /nfs/dbraw/zinc/15/75/34/419157534.db2.gz IXOZUAFESKOEEO-UHFFFAOYSA-N 1 1 261.365 3.116 20 30 CGEDMO C=CC[N@H+](CC/C=C\c1cncc(OC)c1)[C@@H](C)COC ZINC000661240752 419243462 /nfs/dbraw/zinc/24/34/62/419243462.db2.gz TWCABHLOYKKSHE-LYASGUKUSA-N 1 1 290.407 3.016 20 30 CGEDMO C=CC[N@H+](CCCC(=O)c1ccccc1)[C@H](C)COC ZINC000661240709 419243780 /nfs/dbraw/zinc/24/37/80/419243780.db2.gz QMOAMATUXVHCBI-OAHLLOKOSA-N 1 1 275.392 3.172 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(SC)c1)[C@@H](C)COC ZINC000661241074 419244566 /nfs/dbraw/zinc/24/45/66/419244566.db2.gz WOMPGLPFEAGOTL-ZDUSSCGKSA-N 1 1 265.422 3.431 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](CCc2scnc2C)C1 ZINC000661380804 419255123 /nfs/dbraw/zinc/25/51/23/419255123.db2.gz QEUMPSLJNOQAOW-ZDUSSCGKSA-N 1 1 250.411 3.282 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CCCc2cc(CC)no2)C1 ZINC000661385886 419257054 /nfs/dbraw/zinc/25/70/54/419257054.db2.gz QNCBYVFORSOMKY-CQSZACIVSA-N 1 1 262.397 3.458 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@@H]2CCCc3sccc32)nn1 ZINC000657439041 419278578 /nfs/dbraw/zinc/27/85/78/419278578.db2.gz ZQMIGOWTIGCOIV-CQSZACIVSA-N 1 1 288.420 3.083 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CCCC(CC)(CC)C2)nn1 ZINC000661673618 419285044 /nfs/dbraw/zinc/28/50/44/419285044.db2.gz WALNNBJXIIMYGC-UHFFFAOYSA-N 1 1 276.428 3.256 20 30 CGEDMO FCC[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000661691084 419286028 /nfs/dbraw/zinc/28/60/28/419286028.db2.gz SDJJYAPRBVCPHG-OAHLLOKOSA-N 1 1 263.331 3.249 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](Cc1ccccc1F)CC1CC1 ZINC000661795006 419299526 /nfs/dbraw/zinc/29/95/26/419299526.db2.gz UQFWPNHPEDOWSB-INIZCTEOSA-N 1 1 277.383 3.365 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N1c2ccccc2C[C@@H]1C ZINC000662077608 419332777 /nfs/dbraw/zinc/33/27/77/419332777.db2.gz CYFHYHOZAMUXQV-BHYGNILZSA-N 1 1 296.414 3.147 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)N1CCc2ccccc21 ZINC000662079525 419333220 /nfs/dbraw/zinc/33/32/20/419333220.db2.gz KBPLVUBTCAGYFX-CALCHBBNSA-N 1 1 296.414 3.149 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC1CCCCCC1 ZINC000662082367 419333587 /nfs/dbraw/zinc/33/35/87/419333587.db2.gz ZNFKQPGWSOYZRU-IYBDPMFKSA-N 1 1 276.424 3.008 20 30 CGEDMO C=CC[C@H]1CCCN(c2cc[nH+]c(N3CCCCC3)n2)C1 ZINC000664252681 419867433 /nfs/dbraw/zinc/86/74/33/419867433.db2.gz BBQDERIMHSEPEN-HNNXBMFYSA-N 1 1 286.423 3.259 20 30 CGEDMO N#CCC[N@H+](Cc1cccc2cccnc21)CC1CC1 ZINC000081043418 260329384 /nfs/dbraw/zinc/32/93/84/260329384.db2.gz WOIDXGZPSOFAHI-UHFFFAOYSA-N 1 1 265.360 3.360 20 30 CGEDMO C=CCC[N@H+](C)Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000449272905 260338724 /nfs/dbraw/zinc/33/87/24/260338724.db2.gz XDVGZKBFUSUXFH-UHFFFAOYSA-N 1 1 273.355 3.234 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000409446519 260405890 /nfs/dbraw/zinc/40/58/90/260405890.db2.gz XGTFJLXCGWVKJT-CVEARBPZSA-N 1 1 278.440 3.455 20 30 CGEDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)CCCC#N)CCC2 ZINC000152687656 261067985 /nfs/dbraw/zinc/06/79/85/261067985.db2.gz LJLNMTIYUSYTOD-LBPRGKRZSA-N 1 1 263.410 3.318 20 30 CGEDMO COc1ccc(C#N)cc1Cn1c[nH+]c2c1C[C@@H](C)[C@@H](C)C2 ZINC000390026715 262083086 /nfs/dbraw/zinc/08/30/86/262083086.db2.gz XUZRMSVMIGYGRC-QWHCGFSZSA-N 1 1 295.386 3.182 20 30 CGEDMO N#CCC[N@@H+](C[C@H](O)c1ccc(F)cc1Cl)CC1CC1 ZINC000187113689 262123986 /nfs/dbraw/zinc/12/39/86/262123986.db2.gz VNXONQNAZQQMMW-HNNXBMFYSA-N 1 1 296.773 3.138 20 30 CGEDMO N#CCC[N@H+](C[C@H](O)c1ccc(F)cc1Cl)CC1CC1 ZINC000187113689 262123988 /nfs/dbraw/zinc/12/39/88/262123988.db2.gz VNXONQNAZQQMMW-HNNXBMFYSA-N 1 1 296.773 3.138 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000364469395 262246776 /nfs/dbraw/zinc/24/67/76/262246776.db2.gz VFSGQRIAAUHJHF-CYBMUJFWSA-N 1 1 260.385 3.267 20 30 CGEDMO CC[N@@H+](CC[C@@H](C)OCc1ccccc1)C[C@@H](C)C#N ZINC000354875278 262318359 /nfs/dbraw/zinc/31/83/59/262318359.db2.gz WLNLWKYVMTXDFC-JKSUJKDBSA-N 1 1 274.408 3.463 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000367451089 262357500 /nfs/dbraw/zinc/35/75/00/262357500.db2.gz PRBGACCACABMMH-LJQANCHMSA-N 1 1 298.430 3.490 20 30 CGEDMO Cc1cc(C[NH2+][C@H](C)CN2C[C@H](C)C[C@@H](C)C2)ccc1C#N ZINC000443975213 269913589 /nfs/dbraw/zinc/91/35/89/269913589.db2.gz YVWPVXCUBMBWLH-BFYDXBDKSA-N 1 1 299.462 3.323 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(OCC#N)cc2)[C@H]1C ZINC000266011177 262912956 /nfs/dbraw/zinc/91/29/56/262912956.db2.gz SAHPCQUTMFSYJO-KGLIPLIRSA-N 1 1 258.365 3.209 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000271996851 263001106 /nfs/dbraw/zinc/00/11/06/263001106.db2.gz GEFBWQASZLYUMY-OAHLLOKOSA-N 1 1 296.418 3.441 20 30 CGEDMO C[C@H](CCO)[N@@H+](CCC(C)(C)C#N)Cc1ccccc1 ZINC000272065562 263002003 /nfs/dbraw/zinc/00/20/03/263002003.db2.gz XUMCLPUJEMUIAL-OAHLLOKOSA-N 1 1 274.408 3.199 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C)CCCc1ccccc1Cl ZINC000273086895 263012373 /nfs/dbraw/zinc/01/23/73/263012373.db2.gz YXZDRLZYOFBWBD-LBPRGKRZSA-N 1 1 250.773 3.364 20 30 CGEDMO C[N@@H+](Cc1ccc(Br)o1)[C@H]1CC[C@H](C#N)C1 ZINC000280954827 263065336 /nfs/dbraw/zinc/06/53/36/263065336.db2.gz JBRFNYADBKLBOO-UWVGGRQHSA-N 1 1 283.169 3.166 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000280951369 263065387 /nfs/dbraw/zinc/06/53/87/263065387.db2.gz ISRJTRKZIVLSRE-INIZCTEOSA-N 1 1 287.407 3.002 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](CC)C[C@H](C)OC)cc1OC ZINC000291129154 263120261 /nfs/dbraw/zinc/12/02/61/263120261.db2.gz WDHWAAHXZBBMLX-AWEZNQCLSA-N 1 1 293.407 3.117 20 30 CGEDMO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1CCCCC#N ZINC000292366024 263131428 /nfs/dbraw/zinc/13/14/28/263131428.db2.gz QQNYDLDCYZGIMF-AWEZNQCLSA-N 1 1 275.371 3.030 20 30 CGEDMO C[C@@]1(CCc2ccccc2)CC[N@@H+](CCOCCC#N)C1 ZINC000292709603 263133904 /nfs/dbraw/zinc/13/39/04/263133904.db2.gz DXJMRPDUXUIKNY-GOSISDBHSA-N 1 1 286.419 3.261 20 30 CGEDMO CC[C@@H]1CC[N@H+]1Cc1ccc(OC)c(OCCCC#N)c1 ZINC000292891275 263136203 /nfs/dbraw/zinc/13/62/03/263136203.db2.gz YXABBJNOHWDHBM-OAHLLOKOSA-N 1 1 288.391 3.362 20 30 CGEDMO C[C@@H](C#N)C[N@H+](C)C[C@@H](C)c1cc(F)cc(F)c1 ZINC000294832173 263167953 /nfs/dbraw/zinc/16/79/53/263167953.db2.gz NLBVTGCSFKFWSF-WDEREUQCSA-N 1 1 252.308 3.160 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C)C[C@@H](C)c1cc(F)cc(F)c1 ZINC000294832173 263167954 /nfs/dbraw/zinc/16/79/54/263167954.db2.gz NLBVTGCSFKFWSF-WDEREUQCSA-N 1 1 252.308 3.160 20 30 CGEDMO N#CCC[N@@H+](CCCC(=O)c1ccccc1)CC1CC1 ZINC000294871755 263168556 /nfs/dbraw/zinc/16/85/56/263168556.db2.gz DWPSFUWWCBQHQE-UHFFFAOYSA-N 1 1 270.376 3.275 20 30 CGEDMO N#CCC[N@H+](CCCC(=O)c1ccccc1)CC1CC1 ZINC000294871755 263168557 /nfs/dbraw/zinc/16/85/57/263168557.db2.gz DWPSFUWWCBQHQE-UHFFFAOYSA-N 1 1 270.376 3.275 20 30 CGEDMO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(F)cc1O ZINC000296586108 263193682 /nfs/dbraw/zinc/19/36/82/263193682.db2.gz URFXTZJPLCEUJH-MDZLAQPJSA-N 1 1 262.328 3.264 20 30 CGEDMO C=C1CC[NH+]([C@H](C(=O)N(CC)CC)c2ccccc2)CC1 ZINC000341995456 263374184 /nfs/dbraw/zinc/37/41/84/263374184.db2.gz PEQZPIDPBSMIER-KRWDZBQOSA-N 1 1 286.419 3.248 20 30 CGEDMO C=CCC[N@H+](C)Cc1coc(-c2ccc(F)cc2)n1 ZINC000342736232 263483211 /nfs/dbraw/zinc/48/32/11/263483211.db2.gz NYVOCTDBPHMGTP-UHFFFAOYSA-N 1 1 260.312 3.489 20 30 CGEDMO Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CC1(C#N)CC1 ZINC000343279882 264332624 /nfs/dbraw/zinc/33/26/24/264332624.db2.gz PMCKPQWSWXONMD-OAHLLOKOSA-N 1 1 294.402 3.113 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C ZINC000076735645 264343800 /nfs/dbraw/zinc/34/38/00/264343800.db2.gz ZEVPEOUWGNKHRQ-AWEZNQCLSA-N 1 1 260.381 3.220 20 30 CGEDMO C=CCc1cc(C[N@@H+](C)[C@H]2CCSC2)cc(OC)c1O ZINC000130534353 264352510 /nfs/dbraw/zinc/35/25/10/264352510.db2.gz YMIAQYGPFNVZRN-AWEZNQCLSA-N 1 1 293.432 3.067 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000132360989 264385637 /nfs/dbraw/zinc/38/56/37/264385637.db2.gz IBYPTHPDYAXMLT-AWEZNQCLSA-N 1 1 259.349 3.171 20 30 CGEDMO Fc1ccc(C#CC[N@H+](Cc2cccnc2)C2CC2)cc1 ZINC000180744494 264420774 /nfs/dbraw/zinc/42/07/74/264420774.db2.gz SPYHEKDODPNPCO-UHFFFAOYSA-N 1 1 280.346 3.237 20 30 CGEDMO Fc1ccc(C#CC[N@@H+](Cc2cccnc2)C2CC2)cc1 ZINC000180744494 264420775 /nfs/dbraw/zinc/42/07/75/264420775.db2.gz SPYHEKDODPNPCO-UHFFFAOYSA-N 1 1 280.346 3.237 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000287704657 264635234 /nfs/dbraw/zinc/63/52/34/264635234.db2.gz JIPSQPHNHOTUEY-KRWDZBQOSA-N 1 1 274.408 3.419 20 30 CGEDMO C=C(C)CN(CC)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000097257281 265429490 /nfs/dbraw/zinc/42/94/90/265429490.db2.gz LGCVEYVQKOBVLT-HNNXBMFYSA-N 1 1 295.471 3.105 20 30 CGEDMO CC(C)(C)[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000519713787 265546726 /nfs/dbraw/zinc/54/67/26/265546726.db2.gz ZJROMMQOTHJNHW-OAHLLOKOSA-N 1 1 287.363 3.477 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)CCC#N ZINC000297937672 266050750 /nfs/dbraw/zinc/05/07/50/266050750.db2.gz RSVRONXGRNPQTI-AWEZNQCLSA-N 1 1 255.365 3.463 20 30 CGEDMO C=CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1ccccc1 ZINC000356747743 266168771 /nfs/dbraw/zinc/16/87/71/266168771.db2.gz UGXCEQUQUBRXGF-DOTOQJQBSA-N 1 1 288.435 3.191 20 30 CGEDMO C=C[C@@H](CC(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1ccccc1 ZINC000356780828 266174046 /nfs/dbraw/zinc/17/40/46/266174046.db2.gz SOKLHTUZCXPRPZ-HOTGVXAUSA-N 1 1 288.435 3.191 20 30 CGEDMO N#CCCCC[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000357049505 266238249 /nfs/dbraw/zinc/23/82/49/266238249.db2.gz XJWAJOSSQPGUBB-UHFFFAOYSA-N 1 1 298.386 3.241 20 30 CGEDMO C=CC[NH+](CC=C)[C@H](C)C(=O)NCc1ccccc1Cl ZINC000357653431 266339980 /nfs/dbraw/zinc/33/99/80/266339980.db2.gz JYWCPTMLYIAYLX-CYBMUJFWSA-N 1 1 292.810 3.019 20 30 CGEDMO C=CCC1(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CCC1 ZINC000359317697 266563953 /nfs/dbraw/zinc/56/39/53/266563953.db2.gz XWUQKMWXMKCNND-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO CCC[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C(C)C ZINC000519759350 267012274 /nfs/dbraw/zinc/01/22/74/267012274.db2.gz MZWNRGAPNWTMQH-UHFFFAOYSA-N 1 1 261.325 3.087 20 30 CGEDMO CCC[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C(C)C ZINC000519759350 267012275 /nfs/dbraw/zinc/01/22/75/267012275.db2.gz MZWNRGAPNWTMQH-UHFFFAOYSA-N 1 1 261.325 3.087 20 30 CGEDMO N#CCCC[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000362643858 267028429 /nfs/dbraw/zinc/02/84/29/267028429.db2.gz YHAJJQUBKBPZMJ-UHFFFAOYSA-N 1 1 261.756 3.128 20 30 CGEDMO C=CCC[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000362904000 267058410 /nfs/dbraw/zinc/05/84/10/267058410.db2.gz KAPJFUSMZUWRJM-PVAVHDDUSA-N 1 1 286.419 3.008 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCOC2(CCCCC2)C1 ZINC000363129735 267076358 /nfs/dbraw/zinc/07/63/58/267076358.db2.gz LCZDNKOCEXJDOD-UHFFFAOYSA-N 1 1 264.413 3.351 20 30 CGEDMO COc1cccc(C2=CC[N@@H+](CCCCC#N)CC2)c1 ZINC000363200160 267079464 /nfs/dbraw/zinc/07/94/64/267079464.db2.gz GAGOZMFQCFKUSA-UHFFFAOYSA-N 1 1 270.376 3.478 20 30 CGEDMO N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2COc3cc(F)cc(F)c32)C1 ZINC000368397981 267169057 /nfs/dbraw/zinc/16/90/57/267169057.db2.gz AXJJKOLGFWIXOM-XWIASGKRSA-N 1 1 278.302 3.070 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CC[C@H](Cc3ccncc3)C2)cc1 ZINC000368485900 267175945 /nfs/dbraw/zinc/17/59/45/267175945.db2.gz LDHKGRVWJGMQFX-GOSISDBHSA-N 1 1 294.373 3.137 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000368763966 267202939 /nfs/dbraw/zinc/20/29/39/267202939.db2.gz XCTGDYKRBWQLTO-AWEZNQCLSA-N 1 1 272.392 3.067 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000368763966 267202940 /nfs/dbraw/zinc/20/29/40/267202940.db2.gz XCTGDYKRBWQLTO-AWEZNQCLSA-N 1 1 272.392 3.067 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H](CC)O[C@@]2(CCOC2)C1 ZINC000369534151 267249612 /nfs/dbraw/zinc/24/96/12/267249612.db2.gz YIMHBZNHNIQYDW-HOTGVXAUSA-N 1 1 267.413 3.003 20 30 CGEDMO CCCCCCCN1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000369621632 267255604 /nfs/dbraw/zinc/25/56/04/267255604.db2.gz IZQOMOPOWMTSQS-INIZCTEOSA-N 1 1 282.472 3.142 20 30 CGEDMO CCCCCCC[N@@H+]1CCN(C2CCOCC2)C[C@@H]1C ZINC000369621632 267255605 /nfs/dbraw/zinc/25/56/05/267255605.db2.gz IZQOMOPOWMTSQS-INIZCTEOSA-N 1 1 282.472 3.142 20 30 CGEDMO CCCCCCC[N@H+]1CCN(C2CCOCC2)C[C@@H]1C ZINC000369621632 267255608 /nfs/dbraw/zinc/25/56/08/267255608.db2.gz IZQOMOPOWMTSQS-INIZCTEOSA-N 1 1 282.472 3.142 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000370494601 267323657 /nfs/dbraw/zinc/32/36/57/267323657.db2.gz HAIJCDUOAKCNQF-CZUORRHYSA-N 1 1 281.346 3.429 20 30 CGEDMO CC#CC[N@@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000370515646 267326425 /nfs/dbraw/zinc/32/64/25/267326425.db2.gz WNWJJEBJRWFXGN-AWEZNQCLSA-N 1 1 254.333 3.378 20 30 CGEDMO CC#CC[N@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000370515646 267326427 /nfs/dbraw/zinc/32/64/27/267326427.db2.gz WNWJJEBJRWFXGN-AWEZNQCLSA-N 1 1 254.333 3.378 20 30 CGEDMO N#CC1(C[NH2+]Cc2cnc(-c3ccco3)s2)CCC1 ZINC000418140334 267361862 /nfs/dbraw/zinc/36/18/62/267361862.db2.gz JIOATSHBBHFMNW-UHFFFAOYSA-N 1 1 273.361 3.187 20 30 CGEDMO N#CC1(C[NH2+]Cc2cc3c(cccc3F)[nH]2)CCC1 ZINC000418143741 267365696 /nfs/dbraw/zinc/36/56/96/267365696.db2.gz QSWUZGZLWPODFZ-UHFFFAOYSA-N 1 1 257.312 3.090 20 30 CGEDMO COc1ccc2oc(C[NH2+]CC3(C#N)CCC3)cc2c1 ZINC000418145429 267366023 /nfs/dbraw/zinc/36/60/23/267366023.db2.gz YAHSWQHNFDHPIN-UHFFFAOYSA-N 1 1 270.332 3.225 20 30 CGEDMO CCN(CCC#N)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000371566092 267429076 /nfs/dbraw/zinc/42/90/76/267429076.db2.gz RPQXBGXAVCHEEW-WBVHZDCISA-N 1 1 271.408 3.057 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](Cc1ccco1)C1CCCC1 ZINC000123188541 268006243 /nfs/dbraw/zinc/00/62/43/268006243.db2.gz IQRHZOOVUGHBBA-HNNXBMFYSA-N 1 1 263.381 3.351 20 30 CGEDMO CC(C)[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)CC1CC1 ZINC000532668560 270218291 /nfs/dbraw/zinc/21/82/91/270218291.db2.gz UHTKDCXLGQJJOP-UHFFFAOYSA-N 1 1 296.374 3.229 20 30 CGEDMO CC(C)C[N@@H+](Cc1ccno1)Cc1ccc(C#N)cc1 ZINC000533254791 270222688 /nfs/dbraw/zinc/22/26/88/270222688.db2.gz CWFSUJDHKFGIEY-UHFFFAOYSA-N 1 1 269.348 3.204 20 30 CGEDMO CO[C@@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000177113048 274062503 /nfs/dbraw/zinc/06/25/03/274062503.db2.gz ZTEUPTPMQRFJOR-OAHLLOKOSA-N 1 1 297.320 3.168 20 30 CGEDMO C=C1CC[NH+](Cc2cc(OC)cc3c2O[C@@H](C)C3)CC1 ZINC000353322037 275420820 /nfs/dbraw/zinc/42/08/20/275420820.db2.gz UCMFYLAMXZWDGW-ZDUSSCGKSA-N 1 1 273.376 3.171 20 30 CGEDMO CCC[N@H+](Cc1ccc(F)cc1C#N)C[C@H]1CCCCO1 ZINC000106866640 276002172 /nfs/dbraw/zinc/00/21/72/276002172.db2.gz OYNPMOCUCHJIRP-QGZVFWFLSA-N 1 1 290.382 3.478 20 30 CGEDMO CC[N@@H+](C[C@@H](OC)C1CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000425408402 276135816 /nfs/dbraw/zinc/13/58/16/276135816.db2.gz SHCBWJBKTCXAKW-CXAGYDPISA-N 1 1 272.392 3.366 20 30 CGEDMO C[C@@H](C[NH+]1CCCCCC1)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353593748 278256075 /nfs/dbraw/zinc/25/60/75/278256075.db2.gz DURXYSBCDYOHTE-HNAYVOBHSA-N 1 1 297.446 3.400 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000441294173 278305759 /nfs/dbraw/zinc/30/57/59/278305759.db2.gz NHZZMBVNZKPRGJ-OLMNPRSZSA-N 1 1 284.403 3.368 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000341991590 278310101 /nfs/dbraw/zinc/31/01/01/278310101.db2.gz OLGNYYYRGAAMAZ-RHSMWYFYSA-N 1 1 270.376 3.122 20 30 CGEDMO Cc1cccc2c1cc[nH+]c2N1CCC(C#N)CC1 ZINC000335475479 281307071 /nfs/dbraw/zinc/30/70/71/281307071.db2.gz KNWTYBSWDBEEFS-UHFFFAOYSA-N 1 1 251.333 3.283 20 30 CGEDMO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000541643402 288714405 /nfs/dbraw/zinc/71/44/05/288714405.db2.gz XLCUIULILNVHPB-CYBMUJFWSA-N 1 1 298.390 3.195 20 30 CGEDMO Cc1ccccc1[C@H]1CC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000264883146 328162620 /nfs/dbraw/zinc/16/26/20/328162620.db2.gz RMRLOPJIQDUTPG-CVEARBPZSA-N 1 1 267.376 3.228 20 30 CGEDMO Cc1ccccc1[C@@H]1CC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000264883149 328162721 /nfs/dbraw/zinc/16/27/21/328162721.db2.gz RMRLOPJIQDUTPG-JKSUJKDBSA-N 1 1 267.376 3.228 20 30 CGEDMO COc1ccc(CCC[N@@H+](C)[C@H](C)CCC#N)cc1 ZINC000276363441 328218137 /nfs/dbraw/zinc/21/81/37/328218137.db2.gz ZESIURDVGGXOSP-CQSZACIVSA-N 1 1 260.381 3.252 20 30 CGEDMO N#CCCCC[N@@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000292939876 328273969 /nfs/dbraw/zinc/27/39/69/328273969.db2.gz DDFFPGANZSUTNF-OAHLLOKOSA-N 1 1 278.783 3.487 20 30 CGEDMO C=CCCCC[N@H+](CC(=O)OC(C)(C)C)C1CCOCC1 ZINC000582907404 329286656 /nfs/dbraw/zinc/28/66/56/329286656.db2.gz FULKUDBIMKOSPJ-UHFFFAOYSA-N 1 1 297.439 3.165 20 30 CGEDMO COc1ccc(Cl)cc1C[N@@H+](C)[C@H](C)CCC#N ZINC000297937460 328295182 /nfs/dbraw/zinc/29/51/82/328295182.db2.gz RQONGRFXPWCQDY-LLVKDONJSA-N 1 1 266.772 3.473 20 30 CGEDMO C[C@H]1CCc2nc(C[NH2+]Cc3cccc(C#N)c3)sc2C1 ZINC000152123465 321693567 /nfs/dbraw/zinc/69/35/67/321693567.db2.gz ZGNGAVNTVRWSBX-LBPRGKRZSA-N 1 1 297.427 3.429 20 30 CGEDMO C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000565043469 322056659 /nfs/dbraw/zinc/05/66/59/322056659.db2.gz HLFAKVWNGQOSLJ-JHJVBQTASA-N 1 1 287.363 3.333 20 30 CGEDMO C[C@@H](C1CC1)[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C1CC1 ZINC000565047970 322057183 /nfs/dbraw/zinc/05/71/83/322057183.db2.gz YQGZHRJLJSVGCJ-NSHDSACASA-N 1 1 285.347 3.229 20 30 CGEDMO C[C@H]1CCCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000566300620 322114511 /nfs/dbraw/zinc/11/45/11/322114511.db2.gz IHOIZZUZNQSGQD-LBPRGKRZSA-N 1 1 273.336 3.088 20 30 CGEDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1ccc(C#N)cn1 ZINC000572375162 322333690 /nfs/dbraw/zinc/33/36/90/322333690.db2.gz JJVRZJZEFSLZIQ-PBHICJAKSA-N 1 1 277.371 3.331 20 30 CGEDMO Cc1nc(N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c(Cl)cc1C#N ZINC000573380712 322385117 /nfs/dbraw/zinc/38/51/17/322385117.db2.gz HYIXWENEORXHHL-YGRLFVJLSA-N 1 1 292.814 3.056 20 30 CGEDMO C=CCC[C@@H](CC)[NH2+][C@H](C)c1noc(COCC)n1 ZINC000290178968 328529731 /nfs/dbraw/zinc/52/97/31/328529731.db2.gz NJEWXGIXGARWBX-VXGBXAGGSA-N 1 1 267.373 3.002 20 30 CGEDMO C=C(C)COCCNCc1[nH+]c(C(C)C)n2ccccc12 ZINC000564458708 327141128 /nfs/dbraw/zinc/14/11/28/327141128.db2.gz TVCKXWLYQZPPCY-UHFFFAOYSA-N 1 1 287.407 3.140 20 30 CGEDMO C[C@@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)[C@@H]1C ZINC000559349374 327163414 /nfs/dbraw/zinc/16/34/14/327163414.db2.gz AIUNDTATQGRXMN-VXGBXAGGSA-N 1 1 283.293 3.277 20 30 CGEDMO CC[C@@H]1C[C@H](C)C[N@H+]1CCCC1(C#N)CCOCC1 ZINC000410388767 327190804 /nfs/dbraw/zinc/19/08/04/327190804.db2.gz RXRPSSLVOITYLI-LSDHHAIUSA-N 1 1 264.413 3.207 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3ccccc3)C2)nc1 ZINC000584299588 327229617 /nfs/dbraw/zinc/22/96/17/327229617.db2.gz OKBDZNWDPNMFSL-KRWDZBQOSA-N 1 1 277.371 3.333 20 30 CGEDMO N#CC1(CC[N@H+]2CCc3cc[nH]c(=O)c3C2)CCCCC1 ZINC000574019062 327281579 /nfs/dbraw/zinc/28/15/79/327281579.db2.gz AKTCZTDHDCPGKU-UHFFFAOYSA-N 1 1 285.391 3.009 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)Cc1nc(C)ccc1O ZINC000119930776 327295560 /nfs/dbraw/zinc/29/55/60/327295560.db2.gz VMQYEJGDMPJUOY-UHFFFAOYSA-N 1 1 274.389 3.345 20 30 CGEDMO Cn1cccc1[C@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000178494818 329199407 /nfs/dbraw/zinc/19/94/07/329199407.db2.gz PDRIPGGPGQYOEV-GOSISDBHSA-N 1 1 282.362 3.353 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(OCc2nccn2C)cc1 ZINC000181291890 329229939 /nfs/dbraw/zinc/22/99/39/329229939.db2.gz KJHDRSHOKDDCQY-UHFFFAOYSA-N 1 1 285.391 3.007 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000181334557 329231823 /nfs/dbraw/zinc/23/18/23/329231823.db2.gz PZOMAYCHZCQORA-QGZVFWFLSA-N 1 1 275.392 3.252 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)Nc1c[nH+]ccc1-n1cc(C)cn1 ZINC000185931651 329332902 /nfs/dbraw/zinc/33/29/02/329332902.db2.gz JTIIOZBBHALATN-ZDUSSCGKSA-N 1 1 284.363 3.117 20 30 CGEDMO C[C@H](C#N)C[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC000584391247 329441679 /nfs/dbraw/zinc/44/16/79/329441679.db2.gz GTUCLLTVCSCNDO-SNVBAGLBSA-N 1 1 275.352 3.198 20 30 CGEDMO C=C(C)COc1cc(C[NH2+]CC2(C#N)CC2)ccc1OC ZINC000516615904 332864498 /nfs/dbraw/zinc/86/44/98/332864498.db2.gz IFXQFUBHZKYOBM-UHFFFAOYSA-N 1 1 286.375 3.043 20 30 CGEDMO C=CCn1cc(C[NH2+][C@@H](CCCC)c2ccccc2)nn1 ZINC000424290282 330334108 /nfs/dbraw/zinc/33/41/08/330334108.db2.gz BIVGRHNCOXONJL-KRWDZBQOSA-N 1 1 284.407 3.485 20 30 CGEDMO C=CCn1cc(C[NH2+][C@H](c2ccc(C)cc2)C2CC2)nn1 ZINC000424291639 330334908 /nfs/dbraw/zinc/33/49/08/330334908.db2.gz DXQLNGMHRZFYBH-QGZVFWFLSA-N 1 1 282.391 3.013 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000533299151 330356526 /nfs/dbraw/zinc/35/65/26/330356526.db2.gz DBGFDHNPEGTVAT-ZJIFWQFVSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cc(C(=O)OC)sc1C ZINC000089127651 330380690 /nfs/dbraw/zinc/38/06/90/330380690.db2.gz HGONEAVYOSMAFU-UHFFFAOYSA-N 1 1 265.378 3.017 20 30 CGEDMO C=CC[N@@H+](C)CC(=O)N[C@@H](CC)c1ccc(Cl)cc1 ZINC000121303038 330399407 /nfs/dbraw/zinc/39/94/07/330399407.db2.gz ZGQBYUZCPNXRTL-AWEZNQCLSA-N 1 1 280.799 3.025 20 30 CGEDMO C=CC[N@H+](C)CC(=O)N[C@@H](CC)c1ccc(Cl)cc1 ZINC000121303038 330399408 /nfs/dbraw/zinc/39/94/08/330399408.db2.gz ZGQBYUZCPNXRTL-AWEZNQCLSA-N 1 1 280.799 3.025 20 30 CGEDMO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C/C=C\C)C(=O)OCC ZINC000432905433 330610158 /nfs/dbraw/zinc/61/01/58/330610158.db2.gz KRAJWOLGQTUCFU-DHYRHJFOSA-N 1 1 253.386 3.075 20 30 CGEDMO CCOc1ccc([C@H](C)[NH2+]CC2(C#N)CCC2)cc1OC ZINC000450663085 330991927 /nfs/dbraw/zinc/99/19/27/330991927.db2.gz KOJMNNONLDOLJC-ZDUSSCGKSA-N 1 1 288.391 3.438 20 30 CGEDMO C[C@]1(O)CCCC[C@H]1[C@H]1CCC[N@H+]1CC1(C#N)CCC1 ZINC000450953809 331008552 /nfs/dbraw/zinc/00/85/52/331008552.db2.gz AFBUJMUBYODBJA-XHSDSOJGSA-N 1 1 276.424 3.086 20 30 CGEDMO C[C@H](C[N@@H+](CC1(C#N)CCC1)[C@@H](C)CO)c1ccccc1 ZINC000451028858 331012559 /nfs/dbraw/zinc/01/25/59/331012559.db2.gz JHTJPCNNNCNSTJ-CVEARBPZSA-N 1 1 286.419 3.167 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCN(C2CC2)C[C@H](C)C1 ZINC000451089890 331015344 /nfs/dbraw/zinc/01/53/44/331015344.db2.gz FTUPQYIPNWLDIK-HUUCEWRRSA-N 1 1 250.430 3.147 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](N(C)Cc2ccccc2C(C)(C)C#N)C1 ZINC000452121941 331055022 /nfs/dbraw/zinc/05/50/22/331055022.db2.gz TYKJEHZJSDTBEU-KRWDZBQOSA-N 1 1 299.462 3.402 20 30 CGEDMO C=CCC(C)(C)CNC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000458815121 331261248 /nfs/dbraw/zinc/26/12/48/331261248.db2.gz WWNQNMUUDLRMBN-HUUCEWRRSA-N 1 1 295.471 3.103 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(O)c(OCC)c1 ZINC000459529108 331286059 /nfs/dbraw/zinc/28/60/59/331286059.db2.gz YBRCULQVHCZVCN-CQSZACIVSA-N 1 1 261.365 3.331 20 30 CGEDMO C=CCOc1ccc(C[NH+]2CC(C)(COC)C2)cc1Cl ZINC000459618611 331290802 /nfs/dbraw/zinc/29/08/02/331290802.db2.gz CPRJOJDQRYVBCL-UHFFFAOYSA-N 1 1 295.810 3.373 20 30 CGEDMO C[C@@H]([NH2+]CC#Cc1ccccc1)c1nc2c(s1)CCC2 ZINC000459636627 331291623 /nfs/dbraw/zinc/29/16/23/331291623.db2.gz WNKPKFBPHKQAJM-CYBMUJFWSA-N 1 1 282.412 3.334 20 30 CGEDMO CC#CCC[N@@H+](C)CCc1ccc(Br)cc1 ZINC000462310642 331318977 /nfs/dbraw/zinc/31/89/77/331318977.db2.gz AEZYOZILNGXVGU-UHFFFAOYSA-N 1 1 280.209 3.337 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](CC)N(C(C)=O)C[C@@H]1CC ZINC000488454058 332010846 /nfs/dbraw/zinc/01/08/46/332010846.db2.gz YAACUGDYBVLVIB-DLBZAZTESA-N 1 1 280.456 3.454 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000489439058 332052401 /nfs/dbraw/zinc/05/24/01/332052401.db2.gz NGWXZEOVPXPOIX-ARFHVFGLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CCC(=O)NCC1CCCCC1 ZINC000489443376 332052623 /nfs/dbraw/zinc/05/26/23/332052623.db2.gz XOHQTSWVCRITQY-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000489477156 332054893 /nfs/dbraw/zinc/05/48/93/332054893.db2.gz OAQHBHKTABKTIQ-CZUORRHYSA-N 1 1 290.382 3.043 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000489477156 332054894 /nfs/dbraw/zinc/05/48/94/332054894.db2.gz OAQHBHKTABKTIQ-CZUORRHYSA-N 1 1 290.382 3.043 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)NC1(c2ccccc2)CCC1 ZINC000489479298 332055192 /nfs/dbraw/zinc/05/51/92/332055192.db2.gz ORTSMJPMDKPVHO-KRWDZBQOSA-N 1 1 298.430 3.223 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)NC1(c2ccccc2)CCC1 ZINC000489479298 332055193 /nfs/dbraw/zinc/05/51/93/332055193.db2.gz ORTSMJPMDKPVHO-KRWDZBQOSA-N 1 1 298.430 3.223 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1NC(C)=O)C1CCCCC1 ZINC000490897743 332126929 /nfs/dbraw/zinc/12/69/29/332126929.db2.gz FGRHFNCARLTESN-UHFFFAOYSA-N 1 1 284.403 3.413 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(CC#N)cc1)C1CCCC1 ZINC000490933624 332130294 /nfs/dbraw/zinc/13/02/94/332130294.db2.gz FIYDPIHJPQUFEX-UHFFFAOYSA-N 1 1 252.361 3.130 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)[C@@H](C)c1ccccn1 ZINC000491219220 332167706 /nfs/dbraw/zinc/16/77/06/332167706.db2.gz CYPUYGQLOCGBCM-HNNXBMFYSA-N 1 1 250.345 3.278 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)c1ccccn1 ZINC000491219220 332167707 /nfs/dbraw/zinc/16/77/07/332167707.db2.gz CYPUYGQLOCGBCM-HNNXBMFYSA-N 1 1 250.345 3.278 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)C/C=C\c2ccc(F)cc2)n1 ZINC000491327430 332191119 /nfs/dbraw/zinc/19/11/19/332191119.db2.gz VJFCWCUGPQMVPN-WAYWQWQTSA-N 1 1 297.377 3.191 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)C/C=C\c2ccc(F)cc2)n1 ZINC000491327430 332191121 /nfs/dbraw/zinc/19/11/21/332191121.db2.gz VJFCWCUGPQMVPN-WAYWQWQTSA-N 1 1 297.377 3.191 20 30 CGEDMO C#CC[N@H+](Cc1cccc(C(C)=O)c1)C1CCCC1 ZINC000491724484 332308780 /nfs/dbraw/zinc/30/87/80/332308780.db2.gz GGHSDCUVPBCYJJ-UHFFFAOYSA-N 1 1 255.361 3.267 20 30 CGEDMO C#CC[NH+]1CCC(c2nc([C@H]3CCCC[C@@H]3C)no2)CC1 ZINC000491746373 332324015 /nfs/dbraw/zinc/32/40/15/332324015.db2.gz VBXBZQDOKLYQIW-ZFWWWQNUSA-N 1 1 287.407 3.176 20 30 CGEDMO C=CCCCC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000175403780 333024097 /nfs/dbraw/zinc/02/40/97/333024097.db2.gz LZPQCMNOVBOTKT-GASCZTMLSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CC[N@H+](Cc1cncc(Br)c1)C1CCCC1 ZINC000176385638 333041633 /nfs/dbraw/zinc/04/16/33/333041633.db2.gz TYZGANYZHPCEBG-UHFFFAOYSA-N 1 1 293.208 3.222 20 30 CGEDMO CC(C)(C#N)CCCC[N@@H+]1CCC[C@H](N2CCCC2)C1 ZINC000312195949 333078225 /nfs/dbraw/zinc/07/82/25/333078225.db2.gz IPEGHJSUCASTNQ-INIZCTEOSA-N 1 1 277.456 3.267 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H](N2CCCC2)C1 ZINC000312195949 333078227 /nfs/dbraw/zinc/07/82/27/333078227.db2.gz IPEGHJSUCASTNQ-INIZCTEOSA-N 1 1 277.456 3.267 20 30 CGEDMO C=C1CC[NH+](CC(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000517469570 333100114 /nfs/dbraw/zinc/10/01/14/333100114.db2.gz RYRFEJDZGOPEMD-CYBMUJFWSA-N 1 1 292.810 3.169 20 30 CGEDMO C#CC[N@H+](Cc1cc(C#N)n(C)c1)[C@@H]1CCc2ccccc21 ZINC000191153155 333216138 /nfs/dbraw/zinc/21/61/38/333216138.db2.gz OBBPFUZGECHMGM-LJQANCHMSA-N 1 1 289.382 3.019 20 30 CGEDMO CC[N@H+](CCOc1ccc(Cl)c(F)c1)C[C@H](C)C#N ZINC000191976541 333227951 /nfs/dbraw/zinc/22/79/51/333227951.db2.gz VLFDLPLLMJBQKN-LLVKDONJSA-N 1 1 284.762 3.339 20 30 CGEDMO CC[N@@H+](CCOc1ccc(Cl)c(F)c1)C[C@H](C)C#N ZINC000191976541 333227953 /nfs/dbraw/zinc/22/79/53/333227953.db2.gz VLFDLPLLMJBQKN-LLVKDONJSA-N 1 1 284.762 3.339 20 30 CGEDMO C[C@H](c1cccc(O)c1)[N@@H+](C)CC#Cc1ccccc1 ZINC000192103688 333229665 /nfs/dbraw/zinc/22/96/65/333229665.db2.gz KLKJUPOSSXWXFN-OAHLLOKOSA-N 1 1 265.356 3.437 20 30 CGEDMO C=CCCCCC[N@H+](C)CC(=O)N(C)c1ccccc1 ZINC000523553225 333332902 /nfs/dbraw/zinc/33/29/02/333332902.db2.gz TTZLCNTXIBUYTP-UHFFFAOYSA-N 1 1 274.408 3.328 20 30 CGEDMO N#CCC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000542883137 333847822 /nfs/dbraw/zinc/84/78/22/333847822.db2.gz LZMISXXFKCQLDV-UHFFFAOYSA-N 1 1 272.779 3.317 20 30 CGEDMO C=CC[N@H+](CC(=O)NC1CCCCC1)Cc1ccccc1 ZINC000075655552 334048148 /nfs/dbraw/zinc/04/81/48/334048148.db2.gz YFVKQAPHHLNFEU-UHFFFAOYSA-N 1 1 286.419 3.124 20 30 CGEDMO C=CC[N@@H+](CC(=O)NC1CCCCC1)Cc1ccccc1 ZINC000075655552 334048149 /nfs/dbraw/zinc/04/81/49/334048149.db2.gz YFVKQAPHHLNFEU-UHFFFAOYSA-N 1 1 286.419 3.124 20 30 CGEDMO C#CC[N@@H+](Cc1cc(C)no1)[C@H]1CCc2ccccc21 ZINC000079997235 334165132 /nfs/dbraw/zinc/16/51/32/334165132.db2.gz WNHFKVTXLLEYBJ-KRWDZBQOSA-N 1 1 266.344 3.106 20 30 CGEDMO C#CC[N@H+](Cc1cc(C)no1)[C@H]1CCc2ccccc21 ZINC000079997235 334165134 /nfs/dbraw/zinc/16/51/34/334165134.db2.gz WNHFKVTXLLEYBJ-KRWDZBQOSA-N 1 1 266.344 3.106 20 30 CGEDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000549469095 334194986 /nfs/dbraw/zinc/19/49/86/334194986.db2.gz REAXBRNWRSKTSM-QLFBSQMISA-N 1 1 292.423 3.122 20 30 CGEDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCCSCC#N ZINC000245493394 334197282 /nfs/dbraw/zinc/19/72/82/334197282.db2.gz LMDNTSCASSPVHQ-HZSPNIEDSA-N 1 1 252.427 3.286 20 30 CGEDMO CC[N@H+](C[C@H](C)C#N)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000245522371 334200623 /nfs/dbraw/zinc/20/06/23/334200623.db2.gz LTDBVPSSZZHDGI-DGCLKSJQSA-N 1 1 275.352 3.446 20 30 CGEDMO CC[N@@H+](C[C@H](C)C#N)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000245522371 334200625 /nfs/dbraw/zinc/20/06/25/334200625.db2.gz LTDBVPSSZZHDGI-DGCLKSJQSA-N 1 1 275.352 3.446 20 30 CGEDMO CC#CC[N@@H+](C)Cc1ccc(Br)c(C)c1 ZINC000550127728 334213929 /nfs/dbraw/zinc/21/39/29/334213929.db2.gz JBJQHMIWGZDNRW-UHFFFAOYSA-N 1 1 266.182 3.213 20 30 CGEDMO C=C(C)CN1C[C@H](CC)[N@H+](CC(=C)C)C[C@@H]1CC ZINC000246821600 334270234 /nfs/dbraw/zinc/27/02/34/334270234.db2.gz BGKNOBQXBASVCI-HOTGVXAUSA-N 1 1 250.430 3.313 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000249034377 334325246 /nfs/dbraw/zinc/32/52/46/334325246.db2.gz BXUPQRBSASSKFN-SOLBZPMBSA-N 1 1 286.419 3.150 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000568165853 334798992 /nfs/dbraw/zinc/79/89/92/334798992.db2.gz ZGJABNATSLRGFF-OAHLLOKOSA-N 1 1 292.810 3.143 20 30 CGEDMO CCOc1cc(C[NH2+]CC2(C#N)CC2)ccc1OC(F)F ZINC000572914980 334890760 /nfs/dbraw/zinc/89/07/60/334890760.db2.gz OAMWOLWCEGAMBY-UHFFFAOYSA-N 1 1 296.317 3.080 20 30 CGEDMO C=C(CC)CNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000576289585 335184173 /nfs/dbraw/zinc/18/41/73/335184173.db2.gz IYNURHKAIOVQKR-CQSZACIVSA-N 1 1 280.799 3.025 20 30 CGEDMO C=CC[C@H](CO)CNc1[nH+]ccc2c(C)cccc21 ZINC000577057957 335292389 /nfs/dbraw/zinc/29/23/89/335292389.db2.gz QIOBGZQMRZJQIG-ZDUSSCGKSA-N 1 1 256.349 3.140 20 30 CGEDMO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1cc2n(n1)CCC2 ZINC000577995079 335450797 /nfs/dbraw/zinc/45/07/97/335450797.db2.gz YLSZWJUGQLLUMS-CHWSQXEVSA-N 1 1 280.375 3.113 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000602472474 500880065 /nfs/dbraw/zinc/88/00/65/500880065.db2.gz KLPVBTAXGGYEPL-RDJZCZTQSA-N 1 1 272.392 3.174 20 30 CGEDMO Cc1nc(C[NH2+][C@H](C)c2cccc(C#N)c2)cs1 ZINC000041010667 501000667 /nfs/dbraw/zinc/00/06/67/501000667.db2.gz GDJVGUUAMSPQSQ-SNVBAGLBSA-N 1 1 257.362 3.174 20 30 CGEDMO C[C@@H]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2C#N)C1 ZINC000429568677 534246533 /nfs/dbraw/zinc/24/65/33/534246533.db2.gz OVEXUNDZUHXOER-HIFRSBDPSA-N 1 1 285.391 3.007 20 30 CGEDMO Cc1nc(NCC[N@@H+]2CCCC[C@@H]2C)c(Cl)cc1C#N ZINC000359880096 534490810 /nfs/dbraw/zinc/49/08/10/534490810.db2.gz PLYLXAQGQVFSRL-NSHDSACASA-N 1 1 292.814 3.201 20 30 CGEDMO CCC1(CC)CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000094802946 521687516 /nfs/dbraw/zinc/68/75/16/521687516.db2.gz HZVCWLCHUKHPPS-INIZCTEOSA-N 1 1 272.392 3.104 20 30 CGEDMO Cc1ncc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)s1 ZINC000358558560 534743412 /nfs/dbraw/zinc/74/34/12/534743412.db2.gz CPSFNKZKAMZNGK-VIFPVBQESA-N 1 1 275.352 3.313 20 30 CGEDMO COc1ccc(C[N@H+](C)Cc2ccc(C)o2)cc1C#N ZINC000087833155 524007422 /nfs/dbraw/zinc/00/74/22/524007422.db2.gz MMUXZXKQQIGKDT-UHFFFAOYSA-N 1 1 270.332 3.100 20 30 CGEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C)o2)cc1C#N ZINC000087833155 524007425 /nfs/dbraw/zinc/00/74/25/524007425.db2.gz MMUXZXKQQIGKDT-UHFFFAOYSA-N 1 1 270.332 3.100 20 30 CGEDMO Cc1n[nH]cc1C1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000375375855 534850888 /nfs/dbraw/zinc/85/08/88/534850888.db2.gz GEXFQQNSGFKTCE-UHFFFAOYSA-N 1 1 298.365 3.109 20 30 CGEDMO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000358555382 534851493 /nfs/dbraw/zinc/85/14/93/534851493.db2.gz ABKMIYSWTRTRJI-QWRGUYRKSA-N 1 1 286.354 3.151 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)NC(C)(C)C ZINC000354526236 526379028 /nfs/dbraw/zinc/37/90/28/526379028.db2.gz NPJXPVQOFOTJLT-GFCCVEGCSA-N 1 1 280.437 3.039 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)NC(C)(C)C ZINC000354526236 526379033 /nfs/dbraw/zinc/37/90/33/526379033.db2.gz NPJXPVQOFOTJLT-GFCCVEGCSA-N 1 1 280.437 3.039 20 30 CGEDMO C=C(C)CC[N@H+](CCC(=O)OC)Cc1cccc(F)c1F ZINC000352003854 526440422 /nfs/dbraw/zinc/44/04/22/526440422.db2.gz NDBWSWMTMCLFIT-UHFFFAOYSA-N 1 1 297.345 3.296 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000336189235 526456967 /nfs/dbraw/zinc/45/69/67/526456967.db2.gz SNMRQZUPFFAFOV-NSHDSACASA-N 1 1 260.312 3.332 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccccc1-c1ccnn1C ZINC000352820081 526504557 /nfs/dbraw/zinc/50/45/57/526504557.db2.gz YGZSLOFQYCTXIQ-UHFFFAOYSA-N 1 1 255.365 3.095 20 30 CGEDMO C=C(C)CN1CCC([NH2+]Cc2cc(F)ccc2F)CC1 ZINC000106245454 526602846 /nfs/dbraw/zinc/60/28/46/526602846.db2.gz ZWQXUTVYUDTWRZ-UHFFFAOYSA-N 1 1 280.362 3.095 20 30 CGEDMO N#Cc1ccc(NC[C@@H]2CC[N@H+](C3CC3)C2)c(Cl)c1 ZINC000062790948 526662362 /nfs/dbraw/zinc/66/23/62/526662362.db2.gz JEZUULZTODAXFY-LBPRGKRZSA-N 1 1 275.783 3.108 20 30 CGEDMO C=CCOc1cccc(C[N@H+](C)CCCOC(C)C)c1 ZINC000353712844 526896489 /nfs/dbraw/zinc/89/64/89/526896489.db2.gz OOUPGCXTMNPFSV-UHFFFAOYSA-N 1 1 277.408 3.498 20 30 CGEDMO C=CCCC1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000353824270 527093098 /nfs/dbraw/zinc/09/30/98/527093098.db2.gz ISNICQRVJNJXCE-QGZVFWFLSA-N 1 1 298.430 3.124 20 30 CGEDMO C=CC[C@H]1[N@H+](Cc2nnc3n2CCCC3)CCCC1(C)C ZINC000366883367 527226194 /nfs/dbraw/zinc/22/61/94/527226194.db2.gz MAZTZMCMTXUHFE-CQSZACIVSA-N 1 1 288.439 3.181 20 30 CGEDMO C=CCc1cc(C[N@@H+]2CCC[C@H]2CF)cc(OC)c1O ZINC000354522189 527237690 /nfs/dbraw/zinc/23/76/90/527237690.db2.gz RWHPAUCBVZURJJ-AWEZNQCLSA-N 1 1 279.355 3.063 20 30 CGEDMO C=CCc1cc(C[N@H+]2CCC[C@H]2CF)cc(OC)c1O ZINC000354522189 527237692 /nfs/dbraw/zinc/23/76/92/527237692.db2.gz RWHPAUCBVZURJJ-AWEZNQCLSA-N 1 1 279.355 3.063 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000347073977 527250842 /nfs/dbraw/zinc/25/08/42/527250842.db2.gz GRQWYWGVMREMIA-NVXWUHKLSA-N 1 1 274.408 3.417 20 30 CGEDMO CC(C)C[N@@H+](Cc1nc(C#N)cs1)C1CCCC1 ZINC000356090604 527953629 /nfs/dbraw/zinc/95/36/29/527953629.db2.gz RNFOAUVJGJTXAT-UHFFFAOYSA-N 1 1 263.410 3.415 20 30 CGEDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000356125799 528075354 /nfs/dbraw/zinc/07/53/54/528075354.db2.gz SNOJKJRSAGOSJM-AAEUAGOBSA-N 1 1 263.410 3.415 20 30 CGEDMO CC(C)C[C@@H]1CCCC[N@H+]1Cc1nc(C#N)cs1 ZINC000356134067 528373465 /nfs/dbraw/zinc/37/34/65/528373465.db2.gz JQLDRJOKAANGEH-ZDUSSCGKSA-N 1 1 263.410 3.415 20 30 CGEDMO CC[C@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000359029824 529217722 /nfs/dbraw/zinc/21/77/22/529217722.db2.gz UPJBHKAYVPVPFZ-AWEZNQCLSA-N 1 1 267.376 3.433 20 30 CGEDMO CCCCCCCCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC000748564433 572980417 /nfs/dbraw/zinc/98/04/17/572980417.db2.gz JOPBSHGYXSTNJS-HNNXBMFYSA-N 1 1 268.445 3.290 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCc2cc(OC)ccc2C1 ZINC000728686648 571815343 /nfs/dbraw/zinc/81/53/43/571815343.db2.gz UKZNUQIIXPMIHR-UHFFFAOYSA-N 1 1 251.757 3.196 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCc2cc(OC)ccc2C1 ZINC000728686648 571815346 /nfs/dbraw/zinc/81/53/46/571815346.db2.gz UKZNUQIIXPMIHR-UHFFFAOYSA-N 1 1 251.757 3.196 20 30 CGEDMO C[N@H+](Cc1ccc(OCC#N)cc1)Cc1ccccc1F ZINC000729267999 571893560 /nfs/dbraw/zinc/89/35/60/571893560.db2.gz FYBWGBYRFLMGPS-UHFFFAOYSA-N 1 1 284.334 3.360 20 30 CGEDMO C[N@@H+](Cc1ccc(OCC#N)cc1)Cc1ccccc1F ZINC000729267999 571893565 /nfs/dbraw/zinc/89/35/65/571893565.db2.gz FYBWGBYRFLMGPS-UHFFFAOYSA-N 1 1 284.334 3.360 20 30 CGEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1snc(Cl)c1C#N ZINC000730806574 572377230 /nfs/dbraw/zinc/37/72/30/572377230.db2.gz SSMXUNGQPOUDPP-AOOOYVTPSA-N 1 1 298.843 3.343 20 30 CGEDMO C#CC[N@@H+](Cn1nccc1-c1cccnc1)C1CCCCC1 ZINC000725771923 572398103 /nfs/dbraw/zinc/39/81/03/572398103.db2.gz BGWHBYLYHQBIQV-UHFFFAOYSA-N 1 1 294.402 3.171 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(-n2ccnc2)cc1)C(C)C ZINC000725795434 572405108 /nfs/dbraw/zinc/40/51/08/572405108.db2.gz QFDSCHYYQHXKBY-UHFFFAOYSA-N 1 1 255.365 3.269 20 30 CGEDMO CC(=[NH+]NCC(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000740616916 572447989 /nfs/dbraw/zinc/44/79/89/572447989.db2.gz XFIHDNZFKOAVNU-UHFFFAOYSA-N 1 1 299.340 3.395 20 30 CGEDMO CCCCCCCC[N@@H+]1CCn2c(CC)nnc2C1 ZINC000740877319 572465108 /nfs/dbraw/zinc/46/51/08/572465108.db2.gz ANBHSPMBJBZYGG-UHFFFAOYSA-N 1 1 264.417 3.017 20 30 CGEDMO CCCCCCCC[N@H+]1CCn2c(CC)nnc2C1 ZINC000740877319 572465111 /nfs/dbraw/zinc/46/51/11/572465111.db2.gz ANBHSPMBJBZYGG-UHFFFAOYSA-N 1 1 264.417 3.017 20 30 CGEDMO N#CCOc1ccc(Cl)cc1CO[NH+]=C(N)CC1CC1 ZINC000742365587 572567488 /nfs/dbraw/zinc/56/74/88/572567488.db2.gz XRBAWTQFUKZGFO-UHFFFAOYSA-N 1 1 293.754 3.041 20 30 CGEDMO C=CCCC[N@H+](C)CN1C(=O)[C@H](C)[C@H]1c1ccccc1 ZINC000743363333 572653285 /nfs/dbraw/zinc/65/32/85/572653285.db2.gz FBUOMAHXVNIZQF-ZBFHGGJFSA-N 1 1 272.392 3.062 20 30 CGEDMO CCCCCCCC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000734447847 572657106 /nfs/dbraw/zinc/65/71/06/572657106.db2.gz VWQSUITZQOWLBS-OAHLLOKOSA-N 1 1 268.445 3.147 20 30 CGEDMO CCCC(N)=[NH+]OCc1cc(Cl)ccc1OCC#N ZINC000735303332 572713234 /nfs/dbraw/zinc/71/32/34/572713234.db2.gz QBDLQZKIDYZHDS-UHFFFAOYSA-N 1 1 281.743 3.041 20 30 CGEDMO CCCCCCCC(=O)NCCn1cc[nH+]c1C(C)C ZINC000744395461 572748767 /nfs/dbraw/zinc/74/87/67/572748767.db2.gz AKPFKPIKZHCQHH-UHFFFAOYSA-N 1 1 279.428 3.483 20 30 CGEDMO C#CC[N@H+](Cc1cc(OC)cc(OC)c1)C1CCCC1 ZINC000746155891 572857867 /nfs/dbraw/zinc/85/78/67/572857867.db2.gz CMVINWRVAFNLQA-UHFFFAOYSA-N 1 1 273.376 3.082 20 30 CGEDMO C#CC[N@@H+](CC)CCCOc1cccc(Cl)c1 ZINC000746457416 572871617 /nfs/dbraw/zinc/87/16/17/572871617.db2.gz CRDRJCSBUSPTKK-UHFFFAOYSA-N 1 1 251.757 3.064 20 30 CGEDMO CCCCCCCC(=O)NC[C@H]1CCC[N@@H+](CC)C1 ZINC000746525615 572876453 /nfs/dbraw/zinc/87/64/53/572876453.db2.gz UJPWTHBNTQVOHQ-OAHLLOKOSA-N 1 1 268.445 3.195 20 30 CGEDMO C#CC[N@H+](CC)Cc1cc(F)cc(Br)c1 ZINC000749155062 572990019 /nfs/dbraw/zinc/99/00/19/572990019.db2.gz LMGIIRKBHAJGBE-UHFFFAOYSA-N 1 1 270.145 3.043 20 30 CGEDMO C[C@H]1CCC[N@@H+](CCNc2nc3ccccc3cc2C#N)C1 ZINC000750016117 573074207 /nfs/dbraw/zinc/07/42/07/573074207.db2.gz JMKHAOUMDLVTIC-AWEZNQCLSA-N 1 1 294.402 3.250 20 30 CGEDMO C=C(C)CC[NH+]1CC(N(CC)C(=O)c2oc(C)cc2C)C1 ZINC000949858122 613247468 /nfs/dbraw/zinc/24/74/68/613247468.db2.gz RRNLLDIPBTWBRA-UHFFFAOYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)c2ccccc2C)CC1 ZINC000980647878 613254719 /nfs/dbraw/zinc/25/47/19/613254719.db2.gz HZCFBKLQVZHPSS-UHFFFAOYSA-N 1 1 286.419 3.109 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000963227255 613257228 /nfs/dbraw/zinc/25/72/28/613257228.db2.gz BQSBCPHNIZQUQX-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[NH+]1CCN(C(=O)c2cc(C)c(C)s2)CC1 ZINC000957586295 613261182 /nfs/dbraw/zinc/26/11/82/613261182.db2.gz JFTRDWDWDFDFCA-UHFFFAOYSA-N 1 1 292.448 3.089 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)CC2CCCC2)C1 ZINC000964803251 613263931 /nfs/dbraw/zinc/26/39/31/613263931.db2.gz KXZQTOXFRPZKMJ-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2(C)CC=CC2)[C@@H](C)C1 ZINC000942602098 613265139 /nfs/dbraw/zinc/26/51/39/613265139.db2.gz CYWAPUVPUXNWGT-JKSUJKDBSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)C)C(C)(C)C1 ZINC000941177854 613265389 /nfs/dbraw/zinc/26/53/89/613265389.db2.gz PNVRWMZVFHQAKS-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)C2CC2)[C@H](C)C1 ZINC000942570200 613265492 /nfs/dbraw/zinc/26/54/92/613265492.db2.gz VGSJEVNMWZUZOY-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2occc2C)C[C@H]1C ZINC000947057193 613268690 /nfs/dbraw/zinc/26/86/90/613268690.db2.gz OGJNUCMYRUJVQV-HUUCEWRRSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2(C)CCCC2)C1 ZINC000967525024 613269288 /nfs/dbraw/zinc/26/92/88/613269288.db2.gz LYFZXBZVZITKLF-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2sccc2Cl)C1 ZINC000971584491 613287700 /nfs/dbraw/zinc/28/77/00/613287700.db2.gz HKWGRVINGVWHKH-LLVKDONJSA-N 1 1 298.839 3.124 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC1(C)C ZINC000968994646 613306255 /nfs/dbraw/zinc/30/62/55/613306255.db2.gz XEVMJWWYZWDOBJ-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)C2CCCCCC2)CC1 ZINC000980803036 613307691 /nfs/dbraw/zinc/30/76/91/613307691.db2.gz UFSKMMZNTSYBTN-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)c2ccsc2Cl)CC1 ZINC000982088485 613312774 /nfs/dbraw/zinc/31/27/74/613312774.db2.gz LIXIHXJXJUQTQD-UHFFFAOYSA-N 1 1 298.839 3.126 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)c2ccccc2C(C)C)CC1 ZINC000948645687 613321197 /nfs/dbraw/zinc/32/11/97/613321197.db2.gz RWLXIZPVROWJKT-UHFFFAOYSA-N 1 1 286.419 3.144 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC000968565599 613325423 /nfs/dbraw/zinc/32/54/23/613325423.db2.gz HNJHSTOKDMLPSQ-QBPKDAKJSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2(C)CCCC2)C[C@H]1C ZINC000947583885 613326997 /nfs/dbraw/zinc/32/69/97/613326997.db2.gz ATBHRKGGBBYWKP-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C(F)=C2CCCC2)[C@@H](C)C1 ZINC000941950841 613327023 /nfs/dbraw/zinc/32/70/23/613327023.db2.gz PXXNJKMESYUZBF-DZGCQCFKSA-N 1 1 294.414 3.187 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC000967993314 613333717 /nfs/dbraw/zinc/33/37/17/613333717.db2.gz IWXFVIJIVKIPOW-GOEBONIOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C2CCC2)C[C@@H]1C ZINC000947582252 613334531 /nfs/dbraw/zinc/33/45/31/613334531.db2.gz ZKOQYGVELWNPLW-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C2(C)CCCC2)C(C)(C)C1 ZINC000940926812 613334673 /nfs/dbraw/zinc/33/46/73/613334673.db2.gz YMNIOBLMWACJCY-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(C)CC=CC2)C[C@H]1C ZINC000947693885 613376146 /nfs/dbraw/zinc/37/61/46/613376146.db2.gz TYJNNPXWUCWQPR-ZIAGYGMSSA-N 1 1 296.842 3.064 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(C)CC=CC2)C[C@H]1C ZINC000947693885 613376147 /nfs/dbraw/zinc/37/61/47/613376147.db2.gz TYJNNPXWUCWQPR-ZIAGYGMSSA-N 1 1 296.842 3.064 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CC(C)(C)C2)C[C@@H]1C ZINC000947271295 613378246 /nfs/dbraw/zinc/37/82/46/613378246.db2.gz GFTIQBUXAVREPI-JSGCOSHPSA-N 1 1 298.858 3.144 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CC(C)(C)C2)C[C@@H]1C ZINC000947271295 613378247 /nfs/dbraw/zinc/37/82/47/613378247.db2.gz GFTIQBUXAVREPI-JSGCOSHPSA-N 1 1 298.858 3.144 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCC1 ZINC000960791201 613433002 /nfs/dbraw/zinc/43/30/02/613433002.db2.gz PHTACLCLXUXJIV-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]([N@@H+](C)CC2CC(C)(C)C2)C1 ZINC000972078089 613438472 /nfs/dbraw/zinc/43/84/72/613438472.db2.gz CMRVJEXBDSUJPA-HNNXBMFYSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CCC[N@@H+](CC(=C)C)C2 ZINC000981982013 613472529 /nfs/dbraw/zinc/47/25/29/613472529.db2.gz FJKDITAFDFKQQS-KRWDZBQOSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@H]([N@@H+](C)CC2CCCC2)C1 ZINC000972246254 613475521 /nfs/dbraw/zinc/47/55/21/613475521.db2.gz OTKCOFCQSCSRJL-WMZOPIPTSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)c2cc(C)co2)CC1 ZINC000948698187 613501442 /nfs/dbraw/zinc/50/14/42/613501442.db2.gz YSIJWAPTWNUIGJ-HNNXBMFYSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCC)C1 ZINC000963245577 613501957 /nfs/dbraw/zinc/50/19/57/613501957.db2.gz YIPZAZAWXJUJGS-HOTGVXAUSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[NH+]1CCN(C(=O)c2cc3cc(C)ccc3o2)CC1 ZINC000957778481 613510206 /nfs/dbraw/zinc/51/02/06/613510206.db2.gz YILWVZVGNGGRCR-UHFFFAOYSA-N 1 1 298.386 3.075 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@]2(C)C=CCC2)C(C)(C)C1 ZINC000940959207 613522749 /nfs/dbraw/zinc/52/27/49/613522749.db2.gz LKGBSRBLVLRXRV-CRAIPNDOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC(C)C)C2)C1 ZINC000961120983 613528367 /nfs/dbraw/zinc/52/83/67/613528367.db2.gz WTYYSDSJOMYFOR-DLBZAZTESA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccccc2C)C1 ZINC000964767731 613530221 /nfs/dbraw/zinc/53/02/21/613530221.db2.gz BDPXROPXHPLHMW-RDJZCZTQSA-N 1 1 286.419 3.011 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2=CCCCCC2)C[C@H]1C ZINC000947245104 613534379 /nfs/dbraw/zinc/53/43/79/613534379.db2.gz QMACWXXMCJSRGK-WBVHZDCISA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2CC(C)(C)C2)C(C)(C)C1 ZINC000940726711 613534397 /nfs/dbraw/zinc/53/43/97/613534397.db2.gz QDZHYNWGYKUFOB-HNNXBMFYSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)C[C@@H]2C=CCC2)C(C)(C)C1 ZINC000940562251 613535901 /nfs/dbraw/zinc/53/59/01/613535901.db2.gz DIGGEGXDZNPYLQ-CVEARBPZSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)C2(CC)CCCCC2)C1 ZINC000980462595 613610731 /nfs/dbraw/zinc/61/07/31/613610731.db2.gz MWWMOPHQVGNZHE-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)c2cc(C(C)C)oc2C)C1 ZINC000972650538 613635044 /nfs/dbraw/zinc/63/50/44/613635044.db2.gz KJPMWLKXKBUFGL-AWEZNQCLSA-N 1 1 290.407 3.044 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)c2cc3c(cccc3C)o2)C1 ZINC000980511713 613635811 /nfs/dbraw/zinc/63/58/11/613635811.db2.gz SGVQPSFYVUUUEO-AWEZNQCLSA-N 1 1 298.386 3.074 20 30 CGEDMO C=CC[N@H+]1CCCC2(CN(C(=O)CCC3CCCC3)C2)C1 ZINC000981594856 613677881 /nfs/dbraw/zinc/67/78/81/613677881.db2.gz ITWYZNCWIDEWFL-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC12CCCC2 ZINC000969103411 613683516 /nfs/dbraw/zinc/68/35/16/613683516.db2.gz RUOWIXFGZBGLPM-CVEARBPZSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)CC2CC(C)(C)C2)CC1 ZINC000948710416 613700366 /nfs/dbraw/zinc/70/03/66/613700366.db2.gz BGEDIKOPVASKQJ-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc(C3CC3)c2)C1 ZINC000968688703 613735089 /nfs/dbraw/zinc/73/50/89/613735089.db2.gz NKDZZPYCRRTCLI-RDTXWAMCSA-N 1 1 298.430 3.190 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C2(C)CCCCC2)C[C@@H]1C ZINC000947688957 613740421 /nfs/dbraw/zinc/74/04/21/613740421.db2.gz GGNOYGRTSSJAEN-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC)cc2)C[C@@H]1C ZINC000947994645 613752301 /nfs/dbraw/zinc/75/23/01/613752301.db2.gz QEOLMRSRRISMAK-WMLDXEAASA-N 1 1 286.419 3.018 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cc(C)c(C)s2)C[C@@H]1C ZINC000948013226 613787375 /nfs/dbraw/zinc/78/73/75/613787375.db2.gz UMZZVAODCVKCQY-JSGCOSHPSA-N 1 1 292.448 3.134 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2occc2C(C)C)C(C)(C)C1 ZINC000974954725 613812885 /nfs/dbraw/zinc/81/28/85/613812885.db2.gz FRCXKMKNKJOSSM-CQSZACIVSA-N 1 1 290.407 3.029 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)[C@H]2CCCC(C)(C)C2)C(C)(C)C1 ZINC000977650119 613827910 /nfs/dbraw/zinc/82/79/10/613827910.db2.gz MHBDKXMWIFHCLD-GJZGRUSLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(COc2cccc(F)c2)no1 ZINC000900011279 620745860 /nfs/dbraw/zinc/74/58/60/620745860.db2.gz AWMORZMAHCBJJY-CYBMUJFWSA-N 1 1 291.326 3.144 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(Cc2ccccc2C)no1 ZINC000900014882 620746275 /nfs/dbraw/zinc/74/62/75/620746275.db2.gz DRMNZXJTSTTYSN-AWEZNQCLSA-N 1 1 271.364 3.325 20 30 CGEDMO C#CC[N@@H+](CC(=O)Nc1c(CC)cccc1CC)C(C)C ZINC000932393265 617718614 /nfs/dbraw/zinc/71/86/14/617718614.db2.gz GQHXOFWFMGQFMO-UHFFFAOYSA-N 1 1 286.419 3.094 20 30 CGEDMO C#CC[N@H+](CC(=O)Nc1c(CC)cccc1CC)C(C)C ZINC000932393265 617718618 /nfs/dbraw/zinc/71/86/18/617718618.db2.gz GQHXOFWFMGQFMO-UHFFFAOYSA-N 1 1 286.419 3.094 20 30 CGEDMO Cc1nn(C)c(Cl)c1C[N@H+](C)CCCC(C)(C)C#N ZINC000788008105 617813985 /nfs/dbraw/zinc/81/39/85/617813985.db2.gz IQOZTCGZHLYDHF-UHFFFAOYSA-N 1 1 282.819 3.144 20 30 CGEDMO Cc1nn(C)c(Cl)c1C[N@@H+](C)CCCC(C)(C)C#N ZINC000788008105 617813990 /nfs/dbraw/zinc/81/39/90/617813990.db2.gz IQOZTCGZHLYDHF-UHFFFAOYSA-N 1 1 282.819 3.144 20 30 CGEDMO C#CC[C@H](Cc1ccccc1)Nc1cccc(C)[nH+]1 ZINC000804810162 617849882 /nfs/dbraw/zinc/84/98/82/617849882.db2.gz QMHJHBJCIUOLKS-MRXNPFEDSA-N 1 1 250.345 3.437 20 30 CGEDMO C=C(C)c1cccc(NC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000890888628 617890675 /nfs/dbraw/zinc/89/06/75/617890675.db2.gz HZFYGXXCGPREDE-ZDUSSCGKSA-N 1 1 258.365 3.000 20 30 CGEDMO C=C(Br)Cn1c[nH+]c2c1C[C@H](C)[C@H](C)C2 ZINC000307545900 617987953 /nfs/dbraw/zinc/98/79/53/617987953.db2.gz KXCMNILNNSNPIP-BDAKNGLRSA-N 1 1 269.186 3.163 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC(C)C)C1 ZINC001021506017 618015490 /nfs/dbraw/zinc/01/54/90/618015490.db2.gz QNAFRHHYSSWYLP-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccccc2C)C1 ZINC001021510298 618018050 /nfs/dbraw/zinc/01/80/50/618018050.db2.gz YDTGZZRJTRWONJ-AEFFLSMTSA-N 1 1 298.430 3.108 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(CC)CC)C1 ZINC001021522770 618022233 /nfs/dbraw/zinc/02/22/33/618022233.db2.gz JBIMLPHBOMWFLK-IRXDYDNUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC2(C)CC2)C1 ZINC001021633569 618077168 /nfs/dbraw/zinc/07/71/68/618077168.db2.gz RUHNZQHBZWKCQD-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO COC1CCC(C[N@@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC000891604700 618241486 /nfs/dbraw/zinc/24/14/86/618241486.db2.gz MIDPVAVABSUTEF-UHFFFAOYSA-N 1 1 272.392 3.195 20 30 CGEDMO C[C@@H]1Cc2cc(C[N@H+](CCC#N)CC3CC3)ccc2O1 ZINC000891937307 618396194 /nfs/dbraw/zinc/39/61/94/618396194.db2.gz GWXUWFZPQMDDGZ-CYBMUJFWSA-N 1 1 270.376 3.136 20 30 CGEDMO C[C@@H]1Cc2cc(C[N@@H+](CCC#N)CC3CC3)ccc2O1 ZINC000891937307 618396200 /nfs/dbraw/zinc/39/62/00/618396200.db2.gz GWXUWFZPQMDDGZ-CYBMUJFWSA-N 1 1 270.376 3.136 20 30 CGEDMO COc1ccc([C@H]2CCC[N@@H+]2Cc2cccc(C#N)c2)nc1 ZINC000934340987 618602399 /nfs/dbraw/zinc/60/23/99/618602399.db2.gz GCPRDEZRVYZXRC-GOSISDBHSA-N 1 1 293.370 3.299 20 30 CGEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2cccc(C#N)c2)nc1 ZINC000934340987 618602409 /nfs/dbraw/zinc/60/24/09/618602409.db2.gz GCPRDEZRVYZXRC-GOSISDBHSA-N 1 1 293.370 3.299 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000934460485 618623067 /nfs/dbraw/zinc/62/30/67/618623067.db2.gz JMPYOKKZOKQYSY-RISCZKNCSA-N 1 1 269.747 3.163 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1CCC(C)(C)CC(=O)OCC ZINC000934462911 618624704 /nfs/dbraw/zinc/62/47/04/618624704.db2.gz DWMHYLQVRLFKDH-CYBMUJFWSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1cc(-c2ccccc2)on1 ZINC000934471692 618627799 /nfs/dbraw/zinc/62/77/99/618627799.db2.gz LCEDHJJTWZOCJB-HNNXBMFYSA-N 1 1 254.333 3.492 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1cc(-c2ccccc2)on1 ZINC000934471692 618627800 /nfs/dbraw/zinc/62/78/00/618627800.db2.gz LCEDHJJTWZOCJB-HNNXBMFYSA-N 1 1 254.333 3.492 20 30 CGEDMO Cc1cc(F)c(C#N)c(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000892301254 618663858 /nfs/dbraw/zinc/66/38/58/618663858.db2.gz WDAGWIKRFMWUAI-LBPRGKRZSA-N 1 1 284.338 3.113 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000934835839 618701426 /nfs/dbraw/zinc/70/14/26/618701426.db2.gz XEIWVYRTKDFBJS-HUUCEWRRSA-N 1 1 264.413 3.065 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000934837705 618702122 /nfs/dbraw/zinc/70/21/22/618702122.db2.gz KNJBHEVFIBGFCF-QZTJIDSGSA-N 1 1 284.403 3.197 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)CC2=CCCCC2)C1 ZINC001006930909 618871693 /nfs/dbraw/zinc/87/16/93/618871693.db2.gz DXKGZMWKWPSVOQ-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CCC[C@@H]1C ZINC001017906150 618891253 /nfs/dbraw/zinc/89/12/53/618891253.db2.gz VSZZPEIUWCZCIN-CUSZFKRNSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@]1(C)CC ZINC001018130621 618893537 /nfs/dbraw/zinc/89/35/37/618893537.db2.gz RYOBIGWBTGNFDZ-UIBIWLFHSA-N 1 1 290.451 3.064 20 30 CGEDMO Cc1cc(C#N)nc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1 ZINC000893009025 618976513 /nfs/dbraw/zinc/97/65/13/618976513.db2.gz OTJQYOQUNRDOMU-AEFFLSMTSA-N 1 1 292.386 3.119 20 30 CGEDMO Cc1nn(C)c(C[NH2+][C@H](C)c2cccc(C#N)c2)c1Cl ZINC000893076982 618989659 /nfs/dbraw/zinc/98/96/59/618989659.db2.gz FARZNDKJBYCSTJ-SNVBAGLBSA-N 1 1 288.782 3.104 20 30 CGEDMO Cc1nn(C)c(C[NH2+][C@@H](C)c2cccc(C#N)c2)c1Cl ZINC000893076979 618989764 /nfs/dbraw/zinc/98/97/64/618989764.db2.gz FARZNDKJBYCSTJ-JTQLQIEISA-N 1 1 288.782 3.104 20 30 CGEDMO CCOc1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2)o1 ZINC000893078584 618990187 /nfs/dbraw/zinc/99/01/87/618990187.db2.gz STAKPMSJWQTJEM-GFCCVEGCSA-N 1 1 270.332 3.401 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(OC)c(OCC(C)C)c1 ZINC000775183041 619003100 /nfs/dbraw/zinc/00/31/00/619003100.db2.gz GTNJRDIAGAARGE-AWEZNQCLSA-N 1 1 275.392 3.184 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1cc(Cl)c(OC)c(OCC)c1 ZINC000775183137 619004105 /nfs/dbraw/zinc/00/41/05/619004105.db2.gz JGNFJQBVODVFEU-LLVKDONJSA-N 1 1 281.783 3.201 20 30 CGEDMO C=CCCCCC[N@H+](C)CN1CC[C@H](C(C)C)C1=O ZINC000853499323 619005883 /nfs/dbraw/zinc/00/58/83/619005883.db2.gz VGDQCRSIMHPCPO-OAHLLOKOSA-N 1 1 266.429 3.127 20 30 CGEDMO CO[C@@H]1CC[N@@H+](CCCCC2(C#N)CCC2)C[C@H]1C ZINC000930641158 619042283 /nfs/dbraw/zinc/04/22/83/619042283.db2.gz WGURXORIZVPVNA-HUUCEWRRSA-N 1 1 264.413 3.207 20 30 CGEDMO CCN1[C@H](C)C[N@H+](CCCCC2(C#N)CCC2)C[C@@H]1C ZINC000930882915 619086872 /nfs/dbraw/zinc/08/68/72/619086872.db2.gz LXHUPHSVXWGKIF-IYBDPMFKSA-N 1 1 277.456 3.265 20 30 CGEDMO CC[N@H+]1[C@H](C)CN(CCCCC2(C#N)CCC2)C[C@@H]1C ZINC000930882915 619086875 /nfs/dbraw/zinc/08/68/75/619086875.db2.gz LXHUPHSVXWGKIF-IYBDPMFKSA-N 1 1 277.456 3.265 20 30 CGEDMO CC[N@@H+]1[C@H](C)CN(CCCCC2(C#N)CCC2)C[C@@H]1C ZINC000930882915 619086878 /nfs/dbraw/zinc/08/68/78/619086878.db2.gz LXHUPHSVXWGKIF-IYBDPMFKSA-N 1 1 277.456 3.265 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@H]2C2CCOCC2)cs1 ZINC000893318066 619089990 /nfs/dbraw/zinc/08/99/90/619089990.db2.gz QSRIGASEYLTTFO-HNNXBMFYSA-N 1 1 276.405 3.011 20 30 CGEDMO CCCCCCCCCNC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000776038561 619108736 /nfs/dbraw/zinc/10/87/36/619108736.db2.gz FHPMXHUNGGRBQV-UHFFFAOYSA-N 1 1 295.471 3.298 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCO[C@H](C(F)F)CC2)CCC1 ZINC000931478017 619182362 /nfs/dbraw/zinc/18/23/62/619182362.db2.gz UZLFQRJOTRBMOS-ZDUSSCGKSA-N 1 1 286.366 3.207 20 30 CGEDMO C[C@H]([NH2+]Cc1cccnc1Cl)c1ccc(C#N)cc1 ZINC000105416897 619236503 /nfs/dbraw/zinc/23/65/03/619236503.db2.gz UHESZFVQTJLDIH-NSHDSACASA-N 1 1 271.751 3.457 20 30 CGEDMO CC[C@H]1CCC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000036169543 619267466 /nfs/dbraw/zinc/26/74/66/619267466.db2.gz GYXLCSHWNIWLRA-HNNXBMFYSA-N 1 1 272.392 3.449 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1cn(CC)nc1-c1ccccc1 ZINC000894468759 619546859 /nfs/dbraw/zinc/54/68/59/619546859.db2.gz CNWYYBQLQNXJGG-INIZCTEOSA-N 1 1 282.391 3.352 20 30 CGEDMO CC(C)O[C@@H]1CCC[N@@H+](Cc2csc(C#N)c2)C1 ZINC000895145187 619753387 /nfs/dbraw/zinc/75/33/87/619753387.db2.gz RRONIRJXZRZGEM-CYBMUJFWSA-N 1 1 264.394 3.009 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2cnn(CC3CCC3)c2)C1 ZINC000895561212 619850312 /nfs/dbraw/zinc/85/03/12/619850312.db2.gz YADUKNQPOLFOIP-CQSZACIVSA-N 1 1 259.397 3.081 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2csc(C#N)c2)C[C@H](C)C1(F)F ZINC000895550506 619850774 /nfs/dbraw/zinc/85/07/74/619850774.db2.gz OBQWWBKALKBCPA-AOOOYVTPSA-N 1 1 270.348 3.343 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2csc(C#N)c2)C[C@H](C)C1(F)F ZINC000895550506 619850778 /nfs/dbraw/zinc/85/07/78/619850778.db2.gz OBQWWBKALKBCPA-AOOOYVTPSA-N 1 1 270.348 3.343 20 30 CGEDMO C[C@H]1[C@@H](Nc2cccc(C(F)F)c2C#N)CC[N@H+]1C ZINC000895735930 619879949 /nfs/dbraw/zinc/87/99/49/619879949.db2.gz INECXDCLYGJVMI-CABZTGNLSA-N 1 1 265.307 3.000 20 30 CGEDMO C=C(C)COc1cc(C[N@@H+](C)CCCF)ccc1OC ZINC000895898030 619903186 /nfs/dbraw/zinc/90/31/86/619903186.db2.gz IILJGEXFLQVGOG-UHFFFAOYSA-N 1 1 281.371 3.442 20 30 CGEDMO COC1(OC)CC2(C[N@@H+](C[C@@H](C)CCC#N)[C@H]2C(C)C)C1 ZINC000895990100 619920391 /nfs/dbraw/zinc/92/03/91/619920391.db2.gz RUEUNRRNMZXTEO-GJZGRUSLSA-N 1 1 294.439 3.036 20 30 CGEDMO Cc1csc(C[C@@H]2CC[N@H+](C[C@H](C)CCC#N)C2)n1 ZINC000897299256 620185858 /nfs/dbraw/zinc/18/58/58/620185858.db2.gz XVNCTZTVAYYMCE-OCCSQVGLSA-N 1 1 277.437 3.256 20 30 CGEDMO CC[C@@H]1C[C@H](C[N@@H+](C)Cc2cc(C#N)cs2)CCO1 ZINC000897626156 620412650 /nfs/dbraw/zinc/41/26/50/620412650.db2.gz UIVYVANAPNCJQD-TZMCWYRMSA-N 1 1 278.421 3.257 20 30 CGEDMO N#Cc1csc(C[NH2+]Cc2ccc3c(c2)CCCC3)n1 ZINC000897629591 620414192 /nfs/dbraw/zinc/41/41/92/620414192.db2.gz MGQCIHNGAFLFKK-UHFFFAOYSA-N 1 1 283.400 3.183 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1ccc(N2CCCC2)nc1 ZINC000898246755 620497115 /nfs/dbraw/zinc/49/71/15/620497115.db2.gz YNPISAQRLCGUMD-UHFFFAOYSA-N 1 1 273.424 3.470 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)c2cc(C)c(C)s2)CC1 ZINC000989623752 620519190 /nfs/dbraw/zinc/51/91/90/620519190.db2.gz IEPSIIQLAUHIPN-UHFFFAOYSA-N 1 1 292.448 3.089 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)C2(C)CCC(C)CC2)CC1 ZINC000989763119 620523400 /nfs/dbraw/zinc/52/34/00/620523400.db2.gz KBPCFQZZXMXOMK-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)[C@H]2CCCCC2(C)C)CC1 ZINC000989763365 620523857 /nfs/dbraw/zinc/52/38/57/620523857.db2.gz MXNAZIXHZFAYKC-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)CC3CCCC3)CCC[C@@H]12 ZINC000989921180 620531146 /nfs/dbraw/zinc/53/11/46/620531146.db2.gz GDXQMYYUGXMTHH-AEFFLSMTSA-N 1 1 290.451 3.256 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC=CCC3)CCC[C@@H]12 ZINC000989946254 620533252 /nfs/dbraw/zinc/53/32/52/620533252.db2.gz YLBCYYDSHWWOSP-LZLYRXPVSA-N 1 1 288.435 3.032 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)C=C3CCCCC3)CCC[C@H]12 ZINC000989997598 620534789 /nfs/dbraw/zinc/53/47/89/620534789.db2.gz BGRSWMWMYYENHV-WMZOPIPTSA-N 1 1 288.435 3.176 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H](C)C3CC3)CCC[C@@H]12 ZINC000990152791 620537565 /nfs/dbraw/zinc/53/75/65/620537565.db2.gz XNHCXNMLIPVZEM-YXJHDRRASA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)C=C3CCC3)CCC[C@H]12 ZINC000990194113 620538113 /nfs/dbraw/zinc/53/81/13/620538113.db2.gz PHQBBHUJRAAOEG-WMZOPIPTSA-N 1 1 288.435 3.176 20 30 CGEDMO Cc1nc2c(o1)CCC[C@@H]2[NH2+]Cc1cccc(C#N)c1 ZINC000924638540 620552873 /nfs/dbraw/zinc/55/28/73/620552873.db2.gz CMGYTLCVLURYOB-AWEZNQCLSA-N 1 1 267.332 3.022 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)C3CC(C)(C)C3)CCC[C@H]12 ZINC000990539276 620553139 /nfs/dbraw/zinc/55/31/39/620553139.db2.gz CAFJGMSFDCRLOW-MAUKXSAKSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[NH+]1CCC(NCc2cc(C)ccc2NC)CC1 ZINC000902213979 621187211 /nfs/dbraw/zinc/18/72/11/621187211.db2.gz RPXZQQLNLIFWHE-UHFFFAOYSA-N 1 1 287.451 3.167 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)C2CCCC2)CC1 ZINC000997896327 625763706 /nfs/dbraw/zinc/76/37/06/625763706.db2.gz BFFLZIZXEBVKIX-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+]([C@H](C)c1ccccc1)C1CC1 ZINC000801931077 621404727 /nfs/dbraw/zinc/40/47/27/621404727.db2.gz OOYPXZJBJVUYJF-ZIAGYGMSSA-N 1 1 258.365 3.141 20 30 CGEDMO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cc(C#N)ccn1 ZINC000902766554 621432139 /nfs/dbraw/zinc/43/21/39/621432139.db2.gz NBQGBQCXERNWBG-NWDGAFQWSA-N 1 1 296.330 3.273 20 30 CGEDMO C[C@@H]([NH2+][C@H](C)c1cc(C#N)ccn1)c1cccc([N+](=O)[O-])c1 ZINC000902766556 621432982 /nfs/dbraw/zinc/43/29/82/621432982.db2.gz NBQGBQCXERNWBG-VXGBXAGGSA-N 1 1 296.330 3.273 20 30 CGEDMO C=C(C[NH2+][C@H](C)c1cn(CCC)nn1)c1ccccc1 ZINC000902775657 621435058 /nfs/dbraw/zinc/43/50/58/621435058.db2.gz BWSGVDKZFAPCSF-CQSZACIVSA-N 1 1 270.380 3.052 20 30 CGEDMO COc1ccc([C@H](C)[NH2+]CC2(C#N)CCCC2)c(OC)c1 ZINC000903107798 621581207 /nfs/dbraw/zinc/58/12/07/621581207.db2.gz FMOUULYQCSFRFT-ZDUSSCGKSA-N 1 1 288.391 3.438 20 30 CGEDMO Cc1ccc([C@@H](C)[NH2+]CC2(C#N)CCCC2)c(C)n1 ZINC000903108368 621581323 /nfs/dbraw/zinc/58/13/23/621581323.db2.gz AWZGZRGNCYYRQR-CYBMUJFWSA-N 1 1 257.381 3.433 20 30 CGEDMO N#CC1(C[NH2+][C@@H]2CCc3ccc(F)cc32)CCCC1 ZINC000903107663 621581562 /nfs/dbraw/zinc/58/15/62/621581562.db2.gz AWCNKSTYKLTQNN-OAHLLOKOSA-N 1 1 258.340 3.487 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1cnn(CC2CCC2)c1 ZINC000903222165 621634198 /nfs/dbraw/zinc/63/41/98/621634198.db2.gz XJUJRBWOVQZPLE-CQSZACIVSA-N 1 1 286.423 3.418 20 30 CGEDMO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1cncs1 ZINC000903304716 621678911 /nfs/dbraw/zinc/67/89/11/621678911.db2.gz CPIKPYKUVBQBSD-NXEZZACHSA-N 1 1 273.361 3.132 20 30 CGEDMO C=CC[C@@H]1CC[C@H](N[C@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000903376160 621721262 /nfs/dbraw/zinc/72/12/62/621721262.db2.gz AOXOOKWVMSTGGI-BPQIPLTHSA-N 1 1 287.451 3.409 20 30 CGEDMO C=CCC[C@H](CC)[NH2+][C@H](CCN(C)C)c1cccnc1 ZINC000903382171 621724047 /nfs/dbraw/zinc/72/40/47/621724047.db2.gz DAFKEXGKCIVVIC-DLBZAZTESA-N 1 1 275.440 3.409 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCNCC23CCCCC3)CCC1 ZINC000903740723 621801142 /nfs/dbraw/zinc/80/11/42/621801142.db2.gz KHLRXLMQJHRTAT-UHFFFAOYSA-N 1 1 289.467 3.459 20 30 CGEDMO N#CC1(CCCCN2CC[NH2+]CC23CCCCC3)CCC1 ZINC000903740723 621801144 /nfs/dbraw/zinc/80/11/44/621801144.db2.gz KHLRXLMQJHRTAT-UHFFFAOYSA-N 1 1 289.467 3.459 20 30 CGEDMO C=CCN(C[C@@H]([NH3+])CC(F)F)CC1CCCCC1 ZINC000903892710 621827883 /nfs/dbraw/zinc/82/78/83/621827883.db2.gz LWSMIMUZONMSNA-ZDUSSCGKSA-N 1 1 260.372 3.037 20 30 CGEDMO C=CC[N@@H+](C[C@@H](N)CC(F)F)CC1CCCCC1 ZINC000903892710 621827884 /nfs/dbraw/zinc/82/78/84/621827884.db2.gz LWSMIMUZONMSNA-ZDUSSCGKSA-N 1 1 260.372 3.037 20 30 CGEDMO C=CC[N@H+](C[C@@H](N)CC(F)F)CC1CCCCC1 ZINC000903892710 621827885 /nfs/dbraw/zinc/82/78/85/621827885.db2.gz LWSMIMUZONMSNA-ZDUSSCGKSA-N 1 1 260.372 3.037 20 30 CGEDMO CCOc1ccc(C[N@@H+](CCC#N)CC(C)C)c(O)c1 ZINC000768153769 625530005 /nfs/dbraw/zinc/53/00/05/625530005.db2.gz JJJPCFKCZZKXPN-UHFFFAOYSA-N 1 1 276.380 3.163 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(Cc2cc(F)cc(F)c2)no1 ZINC000904553106 621933440 /nfs/dbraw/zinc/93/34/40/621933440.db2.gz WCOGEWZEZKXCLB-CYBMUJFWSA-N 1 1 293.317 3.295 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(Cc2ccc(F)cc2F)no1 ZINC000904552438 621933499 /nfs/dbraw/zinc/93/34/99/621933499.db2.gz CEGQRXSFPCYINK-ZDUSSCGKSA-N 1 1 293.317 3.295 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000905723887 622100554 /nfs/dbraw/zinc/10/05/54/622100554.db2.gz VQHSHAOFOUNMAA-CYBMUJFWSA-N 1 1 270.376 3.007 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000905723887 622100557 /nfs/dbraw/zinc/10/05/57/622100557.db2.gz VQHSHAOFOUNMAA-CYBMUJFWSA-N 1 1 270.376 3.007 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CCSC(C)(C)C2)cc1 ZINC000769448446 625570032 /nfs/dbraw/zinc/57/00/32/625570032.db2.gz QSRZLWLYCVVBOQ-UHFFFAOYSA-N 1 1 289.444 3.416 20 30 CGEDMO C=C(Cl)C[N@H+](CC)C[C@@H](O)c1ccc(C)cc1 ZINC000174284045 623378876 /nfs/dbraw/zinc/37/88/76/623378876.db2.gz BXSDPCYGJNJYSY-CQSZACIVSA-N 1 1 253.773 3.103 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)C[C@@H](O)c1ccc(C)cc1 ZINC000174284045 623378878 /nfs/dbraw/zinc/37/88/78/623378878.db2.gz BXSDPCYGJNJYSY-CQSZACIVSA-N 1 1 253.773 3.103 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3CCC)CCC[C@@H]12 ZINC000992186563 623466320 /nfs/dbraw/zinc/46/63/20/623466320.db2.gz IBMWGADZXFYKIA-KONPQCLYSA-N 1 1 290.451 3.112 20 30 CGEDMO N#CC1(CCCC[NH+]2CCN(C3CCC3)CC2)CCC1 ZINC000929638470 623491259 /nfs/dbraw/zinc/49/12/59/623491259.db2.gz DRSGUDLIDQAUAD-UHFFFAOYSA-N 1 1 275.440 3.021 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3cccc(C)c3C)CCC[C@@H]12 ZINC000992468728 623580901 /nfs/dbraw/zinc/58/09/01/623580901.db2.gz QQMYHERQGAWKLW-IEBWSBKVSA-N 1 1 298.430 3.216 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(C)c(C)c3)CCC[C@@H]12 ZINC000992474304 623584059 /nfs/dbraw/zinc/58/40/59/623584059.db2.gz ZYUKZNOHYMVYKL-MJGOQNOKSA-N 1 1 298.430 3.216 20 30 CGEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CC[C@@H]3C[C@@H]32)cc1 ZINC000761094070 623672571 /nfs/dbraw/zinc/67/25/71/623672571.db2.gz NEQXPLWRAHKZHN-OCCSQVGLSA-N 1 1 281.277 3.031 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)Cc1ccnc(N(C)C)c1 ZINC000753994324 623747092 /nfs/dbraw/zinc/74/70/92/623747092.db2.gz HQRWVDMZVZPNPZ-UHFFFAOYSA-N 1 1 287.432 3.397 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccnc(N(C)C)c1 ZINC000753994324 623747108 /nfs/dbraw/zinc/74/71/08/623747108.db2.gz HQRWVDMZVZPNPZ-UHFFFAOYSA-N 1 1 287.432 3.397 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2cccc(C)c2)[C@@H]1C ZINC000992979402 623766952 /nfs/dbraw/zinc/76/69/52/623766952.db2.gz DMKQBNKWPGLZLB-RDJZCZTQSA-N 1 1 286.419 3.154 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2occc2C)[C@@H]1C ZINC000993041797 623801845 /nfs/dbraw/zinc/80/18/45/623801845.db2.gz UAYRYONGGIRETL-GJZGRUSLSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)oc2C)[C@@H]1C ZINC000993051284 623805191 /nfs/dbraw/zinc/80/51/91/623805191.db2.gz RWWQGHPBSWLZLN-XJKSGUPXSA-N 1 1 290.407 3.055 20 30 CGEDMO Cn1cccc1[C@H]1CCC[N@H+]1CC1CCC(C#N)CC1 ZINC000929862631 623895137 /nfs/dbraw/zinc/89/51/37/623895137.db2.gz YJAWBILJCUOSOA-VMBOVVBDSA-N 1 1 271.408 3.492 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C(F)=C2CCCC2)[C@@H]1C ZINC000993240094 623995854 /nfs/dbraw/zinc/99/58/54/623995854.db2.gz WHCQAZYDHMPWBW-ZFWWWQNUSA-N 1 1 294.414 3.329 20 30 CGEDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NCc1csc(C#N)c1 ZINC000921589573 625692453 /nfs/dbraw/zinc/69/24/53/625692453.db2.gz MWWYHJUFTNQLMZ-HZSPNIEDSA-N 1 1 291.464 3.076 20 30 CGEDMO C[C@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]Cc1csc(C#N)c1 ZINC000921589573 625692466 /nfs/dbraw/zinc/69/24/66/625692466.db2.gz MWWYHJUFTNQLMZ-HZSPNIEDSA-N 1 1 291.464 3.076 20 30 CGEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CCCC)[C@H]2C)cc1 ZINC000993673709 624057171 /nfs/dbraw/zinc/05/71/71/624057171.db2.gz RJYUMHZSXZSMDF-MAUKXSAKSA-N 1 1 298.430 3.051 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](CCC3CC3)[C@@H]2C)C1 ZINC000993793589 624061748 /nfs/dbraw/zinc/06/17/48/624061748.db2.gz UUKCNLRFAFEWNR-GDBMZVCRSA-N 1 1 290.451 3.112 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C(C)C)c2)[C@H]1C ZINC000994149464 624069967 /nfs/dbraw/zinc/06/99/67/624069967.db2.gz QVCOPQYEYBVHQN-QAPCUYQASA-N 1 1 298.430 3.026 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C(C)C)c2)[C@@H]1C ZINC000994149459 624070646 /nfs/dbraw/zinc/07/06/46/624070646.db2.gz QVCOPQYEYBVHQN-MAUKXSAKSA-N 1 1 298.430 3.026 20 30 CGEDMO CN(C)c1ccc(C=[NH+]NCc2ccc(F)c(F)c2)cc1 ZINC000915974092 624086039 /nfs/dbraw/zinc/08/60/39/624086039.db2.gz COLARTFSWCHKEE-UHFFFAOYSA-N 1 1 289.329 3.155 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[C@H](CC)CC2)[C@@H]1C ZINC000994247795 624122198 /nfs/dbraw/zinc/12/21/98/624122198.db2.gz GSXXXOHDSGEJOB-LUKYLMHMSA-N 1 1 292.467 3.358 20 30 CGEDMO C[NH+]1CCN(N=Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000916247985 624129593 /nfs/dbraw/zinc/12/95/93/624129593.db2.gz CEYUJAOAIVAQGO-UHFFFAOYSA-N 1 1 295.386 3.060 20 30 CGEDMO C=CC[N@@H+](Cc1cc(=O)oc2cc(C)ccc12)C(C)C ZINC000917166920 624248500 /nfs/dbraw/zinc/24/85/00/624248500.db2.gz MSMKHUAWMZQHOZ-UHFFFAOYSA-N 1 1 271.360 3.498 20 30 CGEDMO C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)C2CCCC2)CC1 ZINC000997456102 625704363 /nfs/dbraw/zinc/70/43/63/625704363.db2.gz VFPPLFFWYDQYTK-ZDUSSCGKSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CCN(C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)C(C)C ZINC000918067562 624331434 /nfs/dbraw/zinc/33/14/34/624331434.db2.gz NAGNEZODSCVKFT-INIZCTEOSA-N 1 1 295.471 3.105 20 30 CGEDMO CCCCCCCCC(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000918396092 624346371 /nfs/dbraw/zinc/34/63/71/624346371.db2.gz DECXPACKQICISA-OAHLLOKOSA-N 1 1 268.445 3.338 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCc3ccccc3[C@@H]2CO)CCC1 ZINC000930023799 624346991 /nfs/dbraw/zinc/34/69/91/624346991.db2.gz HAHZQSKIGVNSSV-SFHVURJKSA-N 1 1 298.430 3.442 20 30 CGEDMO Cc1[nH+]c(C=NN[C@H](C)c2ccccc2)c2ccccn12 ZINC000920383886 624485891 /nfs/dbraw/zinc/48/58/91/624485891.db2.gz ZRYKTZCMIXCLHT-CYBMUJFWSA-N 1 1 278.359 3.327 20 30 CGEDMO C=C(C)C[N@@H+](C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000181265773 624839327 /nfs/dbraw/zinc/83/93/27/624839327.db2.gz VFPWEJQEBQFPOF-UHFFFAOYSA-N 1 1 282.428 3.141 20 30 CGEDMO CCn1c(C[NH2+]Cc2csc(C#N)c2)nc2ccccc21 ZINC000921690977 625842469 /nfs/dbraw/zinc/84/24/69/625842469.db2.gz YYOMQKGOKOUZGG-UHFFFAOYSA-N 1 1 296.399 3.279 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@@H]2CC)CC1 ZINC001001116420 625890465 /nfs/dbraw/zinc/89/04/65/625890465.db2.gz AGIPTSWIHNYBGW-DLBZAZTESA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)C2CCC(=C)CC2)CC1 ZINC001001116895 625890727 /nfs/dbraw/zinc/89/07/27/625890727.db2.gz NHHRPZNTIWIENI-UHFFFAOYSA-N 1 1 288.435 3.057 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2CCC2(C)C)CC1 ZINC001001725197 625901372 /nfs/dbraw/zinc/90/13/72/625901372.db2.gz GEIXKURVMXDUBW-AWEZNQCLSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)C[C@H]2CCC[C@@H]2C)CC1 ZINC001002892319 625968607 /nfs/dbraw/zinc/96/86/07/625968607.db2.gz XXHKYGRCYFBHGP-GXTWGEPZSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC2CC2)CC1 ZINC001004324960 626039282 /nfs/dbraw/zinc/03/92/82/626039282.db2.gz JKFRLMLFLHDBRR-QGZVFWFLSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1N1CCO[C@@H](C)C1)C(C)C ZINC000838795244 626249294 /nfs/dbraw/zinc/24/92/94/626249294.db2.gz XNRVLNPVAQFECT-INIZCTEOSA-N 1 1 288.435 3.308 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000839087178 626312670 /nfs/dbraw/zinc/31/26/70/626312670.db2.gz BTRYFPOOXGLYLR-UONOGXRCSA-N 1 1 282.428 3.045 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000839088248 626312676 /nfs/dbraw/zinc/31/26/76/626312676.db2.gz AYMCSDZYSQWBSC-ZIAGYGMSSA-N 1 1 282.428 3.045 20 30 CGEDMO Cc1cc(F)ccc1N=NC1C[N@@H+](C2CC2)C[C@H]1C ZINC000750938373 626369736 /nfs/dbraw/zinc/36/97/36/626369736.db2.gz GRTQSBYAUGRYNG-LLVKDONJSA-N 1 1 261.344 3.016 20 30 CGEDMO C[C@H]1C[N@@H+](C)CC1N=Nc1ccc(Cl)c(Cl)c1 ZINC000752159523 626420519 /nfs/dbraw/zinc/42/05/19/626420519.db2.gz DOHZDCDOKONWIQ-QMMMGPOBSA-N 1 1 272.179 3.343 20 30 CGEDMO C#CC[N@@H+](CC1CCC2(CC1)OCCO2)C1CCCCC1 ZINC000753705965 626462779 /nfs/dbraw/zinc/46/27/79/626462779.db2.gz QHZJFZYBWBONHU-UHFFFAOYSA-N 1 1 291.435 3.188 20 30 CGEDMO Cc1cc(O)c(C[N@@H+](C[C@@H](C)C#N)C2CC2)cc1C ZINC000753988291 626470916 /nfs/dbraw/zinc/47/09/16/626470916.db2.gz OQAFUKGLSIMUSI-NSHDSACASA-N 1 1 258.365 3.133 20 30 CGEDMO Cc1cc(O)c(C[N@H+](C[C@@H](C)C#N)C2CC2)cc1C ZINC000753988291 626470918 /nfs/dbraw/zinc/47/09/18/626470918.db2.gz OQAFUKGLSIMUSI-NSHDSACASA-N 1 1 258.365 3.133 20 30 CGEDMO CC(C)[N@@H+]1CC(N=Nc2ccc(OC(F)F)cc2)[C@H](C)C1 ZINC000754258385 626565175 /nfs/dbraw/zinc/56/51/75/626565175.db2.gz HSIYLTPGJCTXDQ-LLVKDONJSA-N 1 1 297.349 3.416 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)CC/C=C/c1ccccc1 ZINC000756552874 626714489 /nfs/dbraw/zinc/71/44/89/626714489.db2.gz LNXMIVMXGOWQRB-QKIXSCASSA-N 1 1 297.398 3.121 20 30 CGEDMO C#CC[N@@H+](CCc1ccc2c(c1)CCO2)C1CCCC1 ZINC000756911698 626740713 /nfs/dbraw/zinc/74/07/13/626740713.db2.gz CJTJUEJOHVFKPH-UHFFFAOYSA-N 1 1 269.388 3.042 20 30 CGEDMO C#CC[N@H+](Cc1cccc([N+](=O)[O-])c1C)C1CCCC1 ZINC000756912082 626741162 /nfs/dbraw/zinc/74/11/62/626741162.db2.gz VCMRZLDISLTDBO-UHFFFAOYSA-N 1 1 272.348 3.281 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H](CC(=O)OC(C)C)c1ccccc1 ZINC000839553593 626759198 /nfs/dbraw/zinc/75/91/98/626759198.db2.gz SYFLPGXTLMXQFX-AWEZNQCLSA-N 1 1 281.783 3.412 20 30 CGEDMO CC[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CC(C)(C)C1 ZINC000839662968 626772423 /nfs/dbraw/zinc/77/24/23/626772423.db2.gz AIXIDGSAXHNIDR-MRXNPFEDSA-N 1 1 272.392 3.102 20 30 CGEDMO CC(C)(C)C[C@@H]1CC[N@@H+](CCOCCC#N)C1(C)C ZINC000839666815 626773209 /nfs/dbraw/zinc/77/32/09/626773209.db2.gz TVFHWPUHAVKPJV-AWEZNQCLSA-N 1 1 266.429 3.453 20 30 CGEDMO C[C@@H]1C[C@H](/N=C\c2ccccc2O)C[N@H+]1Cc1ccccc1 ZINC000757524709 626785236 /nfs/dbraw/zinc/78/52/36/626785236.db2.gz BKJNLFRMMKEYTI-KXUWDVNCSA-N 1 1 294.398 3.474 20 30 CGEDMO CC(=[NH+]NCc1ccc(F)c(F)c1)c1ccc(N)cc1C ZINC000758108170 626827287 /nfs/dbraw/zinc/82/72/87/626827287.db2.gz RIKMALBSRZQUJF-UHFFFAOYSA-N 1 1 289.329 3.369 20 30 CGEDMO C#CC[N@@H+](Cc1cnc2ccccn12)C1CCCCC1 ZINC000759331166 626888359 /nfs/dbraw/zinc/88/83/59/626888359.db2.gz WTEWLKICXLXUKF-UHFFFAOYSA-N 1 1 267.376 3.102 20 30 CGEDMO C#CCC[N@H+](C)[C@H](C)c1ccccc1Br ZINC000760819407 626993892 /nfs/dbraw/zinc/99/38/92/626993892.db2.gz LFZVQNOQSQOBIW-LLVKDONJSA-N 1 1 266.182 3.465 20 30 CGEDMO Fc1ccc(C#CC[N@@H+]2CC[C@H](C(F)(F)F)C2)cc1 ZINC000761049573 627010959 /nfs/dbraw/zinc/01/09/59/627010959.db2.gz QXLNFYHNBOUYTA-LBPRGKRZSA-N 1 1 271.257 3.061 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CC[C@H](C(F)(F)F)C2)cc1 ZINC000761049573 627010963 /nfs/dbraw/zinc/01/09/63/627010963.db2.gz QXLNFYHNBOUYTA-LBPRGKRZSA-N 1 1 271.257 3.061 20 30 CGEDMO C=C(Cl)CN[C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000761312575 627031710 /nfs/dbraw/zinc/03/17/10/627031710.db2.gz IIDGBFTZQMYDFF-OAHLLOKOSA-N 1 1 278.827 3.382 20 30 CGEDMO C=C(Cl)CN[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000761312575 627031712 /nfs/dbraw/zinc/03/17/12/627031712.db2.gz IIDGBFTZQMYDFF-OAHLLOKOSA-N 1 1 278.827 3.382 20 30 CGEDMO C[C@H](CC#N)N[NH+]=Cc1c(Cl)cccc1N1CCCC1 ZINC000763370564 627154263 /nfs/dbraw/zinc/15/42/63/627154263.db2.gz RKBQYSSZAPELAG-GFCCVEGCSA-N 1 1 290.798 3.166 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000763880517 627182729 /nfs/dbraw/zinc/18/27/29/627182729.db2.gz WTLUMDYCHAMAGJ-MAUKXSAKSA-N 1 1 273.486 3.437 20 30 CGEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000764484185 627209332 /nfs/dbraw/zinc/20/93/32/627209332.db2.gz ISGXFUKVMCMYJB-ZDUSSCGKSA-N 1 1 290.794 3.474 20 30 CGEDMO Cc1[nH+]c(C=NNCc2ccc(Cl)cc2)c2ccccn12 ZINC000764718250 627220164 /nfs/dbraw/zinc/22/01/64/627220164.db2.gz LFLFOVDMSIBHRT-UHFFFAOYSA-N 1 1 298.777 3.420 20 30 CGEDMO Clc1cnc(N=NC2CC[N@H+]3CCC[C@@H]23)c(Cl)c1 ZINC000765558863 627259479 /nfs/dbraw/zinc/25/94/79/627259479.db2.gz GZEDIOXRDLGMJU-NSHDSACASA-N 1 1 285.178 3.024 20 30 CGEDMO Brc1cccc(N=NC2CC[N@H+]3CCC[C@H]23)c1 ZINC000765564153 627259859 /nfs/dbraw/zinc/25/98/59/627259859.db2.gz ODBSRXXASGUCBX-CYBMUJFWSA-N 1 1 294.196 3.085 20 30 CGEDMO C#CCC[N@@H+]1Cc2cc(Br)ccc2C[C@H]1C ZINC000767065817 627379688 /nfs/dbraw/zinc/37/96/88/627379688.db2.gz MRXYMCHKUXKNDR-LLVKDONJSA-N 1 1 278.193 3.219 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@H]1c1ccc(OC)cc1OC ZINC000766895244 627367432 /nfs/dbraw/zinc/36/74/32/627367432.db2.gz BYLYSBBTTNMWOU-INIZCTEOSA-N 1 1 273.376 3.254 20 30 CGEDMO C#CCCC[N@H+](C)Cc1cc(Br)ccc1OC ZINC000766894360 627367846 /nfs/dbraw/zinc/36/78/46/627367846.db2.gz BPVIRNWSHRNRFN-UHFFFAOYSA-N 1 1 296.208 3.303 20 30 CGEDMO C#CCCC[N@H+](CC(C)C)C[C@H](O)c1ccc(F)cc1 ZINC000766902729 627369510 /nfs/dbraw/zinc/36/95/10/627369510.db2.gz MXMUUMYTBYLKRR-KRWDZBQOSA-N 1 1 277.383 3.231 20 30 CGEDMO C#CCC[N@H+]1Cc2cc(Br)ccc2C[C@H]1C ZINC000767065817 627379684 /nfs/dbraw/zinc/37/96/84/627379684.db2.gz MRXYMCHKUXKNDR-LLVKDONJSA-N 1 1 278.193 3.219 20 30 CGEDMO C[C@@H]1CC(=[NH+]n2cc(Br)cn2)CC[C@@H]1C ZINC000767388844 627404583 /nfs/dbraw/zinc/40/45/83/627404583.db2.gz XVASDOMLAJQISR-DTWKUNHWSA-N 1 1 270.174 3.306 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767882009 627440698 /nfs/dbraw/zinc/44/06/98/627440698.db2.gz GPWSNHSWBXYNTB-ZFWWWQNUSA-N 1 1 299.336 3.432 20 30 CGEDMO C#CC[N@H+](Cc1ccn(C)c1)[C@H]1CCc2ccccc21 ZINC000768130535 627462018 /nfs/dbraw/zinc/46/20/18/627462018.db2.gz QUOILANEVXGRJZ-SFHVURJKSA-N 1 1 264.372 3.148 20 30 CGEDMO CC(C)C[N@H+](CCC#N)CC1=Cc2ccccc2OC1 ZINC000768155358 627464191 /nfs/dbraw/zinc/46/41/91/627464191.db2.gz ZSKDLCPBRNGATE-UHFFFAOYSA-N 1 1 270.376 3.334 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)CC1=Cc2ccccc2OC1 ZINC000768155358 627464193 /nfs/dbraw/zinc/46/41/93/627464193.db2.gz ZSKDLCPBRNGATE-UHFFFAOYSA-N 1 1 270.376 3.334 20 30 CGEDMO C=CC[N@H+](Cc1cnc(N(CC)CC)s1)C(C)C ZINC000768546997 627486291 /nfs/dbraw/zinc/48/62/91/627486291.db2.gz GJIGCWXNCNGRIY-UHFFFAOYSA-N 1 1 267.442 3.386 20 30 CGEDMO C=CC[N@@H+](Cc1cccc2c1OCCCO2)C(C)C ZINC000768547931 627486356 /nfs/dbraw/zinc/48/63/56/627486356.db2.gz UFRZXWCUKHCNSJ-UHFFFAOYSA-N 1 1 261.365 3.244 20 30 CGEDMO C#CC[N@H+](CC)Cc1sc2nc(C)nc(C)c2c1C ZINC000769111313 627523339 /nfs/dbraw/zinc/52/33/39/627523339.db2.gz MEQPBPMUYFHWMO-UHFFFAOYSA-N 1 1 273.405 3.072 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000769389746 627547560 /nfs/dbraw/zinc/54/75/60/627547560.db2.gz QFFCQIHLIMMLJC-INIZCTEOSA-N 1 1 281.355 3.281 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCOC[C@H](C)C2)cc1Cl ZINC000769457962 627555233 /nfs/dbraw/zinc/55/52/33/627555233.db2.gz WYDZSJWPVKMQLE-CYBMUJFWSA-N 1 1 295.810 3.373 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCOC[C@H](C)C2)cc1Cl ZINC000769457962 627555236 /nfs/dbraw/zinc/55/52/36/627555236.db2.gz WYDZSJWPVKMQLE-CYBMUJFWSA-N 1 1 295.810 3.373 20 30 CGEDMO C#CC[N@H+](Cc1cc(OC)c(OC)cc1C)C1CCCC1 ZINC000769530914 627562818 /nfs/dbraw/zinc/56/28/18/627562818.db2.gz PDSHWSCWHFRGMF-UHFFFAOYSA-N 1 1 287.403 3.390 20 30 CGEDMO C[C@@H]1CC(N=Nc2c(F)cccc2Cl)CC[N@H+]1C ZINC000769827346 627582097 /nfs/dbraw/zinc/58/20/97/627582097.db2.gz TXMYKLUSKAHNRM-SECBINFHSA-N 1 1 269.751 3.361 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)CCOc1ccc(Cl)cc1Cl ZINC000769961049 627593195 /nfs/dbraw/zinc/59/31/95/627593195.db2.gz NCZUHBJQCSIOAE-SNVBAGLBSA-N 1 1 272.175 3.326 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000769977301 627594388 /nfs/dbraw/zinc/59/43/88/627594388.db2.gz FOHKGBCAODQGAI-HNNXBMFYSA-N 1 1 289.382 3.455 20 30 CGEDMO C=CCCCC[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000769988945 627595884 /nfs/dbraw/zinc/59/58/84/627595884.db2.gz OPIVLFUHIAFNQP-GFCCVEGCSA-N 1 1 277.364 3.186 20 30 CGEDMO C[C@@H](CC#N)NN=C1CCCC[C@H]1[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000771886951 627740782 /nfs/dbraw/zinc/74/07/82/627740782.db2.gz AUUZVFAZFXTILN-QSJFSLAZSA-N 1 1 290.455 3.155 20 30 CGEDMO C=C(CC)C[N@@H+]1CCC[C@@H](C(=O)NCCCCCC)C1 ZINC000773427128 627882443 /nfs/dbraw/zinc/88/24/43/627882443.db2.gz IWYIHWXSSVPCEY-MRXNPFEDSA-N 1 1 280.456 3.361 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)CCc1cc(Cl)cc(Cl)c1 ZINC000773893714 627925864 /nfs/dbraw/zinc/92/58/64/627925864.db2.gz CIFIDFABZZTPRN-SNVBAGLBSA-N 1 1 256.176 3.489 20 30 CGEDMO C#CC[N@@H+](C[C@H]1CCC=CO1)[C@H]1CCc2ccccc21 ZINC000774816325 628034549 /nfs/dbraw/zinc/03/45/49/628034549.db2.gz ZNZSAZZIAXEZER-AEFFLSMTSA-N 1 1 267.372 3.302 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(Cl)c(F)c1 ZINC000776009632 628157480 /nfs/dbraw/zinc/15/74/80/628157480.db2.gz YSLWWYBSJZVTSP-SECBINFHSA-N 1 1 252.720 3.433 20 30 CGEDMO CC(C)CNN=C1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000776187053 628177280 /nfs/dbraw/zinc/17/72/80/628177280.db2.gz FLZLXPKHGOPGLL-HNNXBMFYSA-N 1 1 273.424 3.130 20 30 CGEDMO CC(C)CNN=C1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000776187053 628177284 /nfs/dbraw/zinc/17/72/84/628177284.db2.gz FLZLXPKHGOPGLL-HNNXBMFYSA-N 1 1 273.424 3.130 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000779188754 628393195 /nfs/dbraw/zinc/39/31/95/628393195.db2.gz ZGHQSCOOLZEMTR-UHFFFAOYSA-N 1 1 277.368 3.046 20 30 CGEDMO C#CCSCC[NH2+][C@H](CCc1ccccc1)C(F)F ZINC000779412126 628411463 /nfs/dbraw/zinc/41/14/63/628411463.db2.gz JXCFEMSSMMSSOR-CQSZACIVSA-N 1 1 283.387 3.209 20 30 CGEDMO c1cc2c3c(c1)CCC[C@H]3CC2=NNc1cc[nH+]cc1 ZINC000779809841 628434010 /nfs/dbraw/zinc/43/40/10/628434010.db2.gz RMNAGYJKZIMCEN-ZDUSSCGKSA-N 1 1 263.344 3.143 20 30 CGEDMO C=CCCC(=O)O[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000781040663 628531824 /nfs/dbraw/zinc/53/18/24/628531824.db2.gz WZQOZZBJTPAVQE-NVXWUHKLSA-N 1 1 287.403 3.406 20 30 CGEDMO FC(F)Sc1ccc(C=NNc2cc[nH+]cc2)cc1 ZINC000781594629 628576596 /nfs/dbraw/zinc/57/65/96/628576596.db2.gz CVNXIWUFPKMUDG-UHFFFAOYSA-N 1 1 279.315 3.264 20 30 CGEDMO C#CC[N@H+](C[C@H](O)Cc1cccc(Cl)c1)C1CCCC1 ZINC000805742595 628686345 /nfs/dbraw/zinc/68/63/45/628686345.db2.gz OCLWMOQZPNKKAU-QGZVFWFLSA-N 1 1 291.822 3.121 20 30 CGEDMO CCCCCCCC[N@H+]1C[C@@H](C)O[C@@H](COC)C1 ZINC000784367857 628810287 /nfs/dbraw/zinc/81/02/87/628810287.db2.gz CPJOEOBQMIFGCK-HUUCEWRRSA-N 1 1 257.418 3.083 20 30 CGEDMO Cc1ccc(N(C)[C@@H]2CCC[N@@H+](CC3(C#N)CC3)C2)cc1 ZINC000784376504 628810826 /nfs/dbraw/zinc/81/08/26/628810826.db2.gz ADWGMBGZALKHRI-QGZVFWFLSA-N 1 1 283.419 3.199 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)N[C@H](C)CCCCC ZINC000785996959 628906368 /nfs/dbraw/zinc/90/63/68/628906368.db2.gz HTXWKKGGSZSKLT-CABCVRRESA-N 1 1 266.429 3.112 20 30 CGEDMO C=CC[N@H+]1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC000805826815 628983800 /nfs/dbraw/zinc/98/38/00/628983800.db2.gz KNYIUQCTLYGIFL-HNNXBMFYSA-N 1 1 280.412 3.086 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1ccc(OC)c(Cl)c1 ZINC000787997672 629038561 /nfs/dbraw/zinc/03/85/61/629038561.db2.gz ORWWCBKBDRKNTG-UHFFFAOYSA-N 1 1 251.757 3.192 20 30 CGEDMO CCc1cccc(Cl)c1C=NNc1cc[nH+]cc1 ZINC000788726028 629076661 /nfs/dbraw/zinc/07/66/61/629076661.db2.gz RPLZHJBXXOWSFW-UHFFFAOYSA-N 1 1 259.740 3.165 20 30 CGEDMO C=CCOCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788732896 629077269 /nfs/dbraw/zinc/07/72/69/629077269.db2.gz GOJFQJPRXJOWOL-JTQLQIEISA-N 1 1 289.297 3.264 20 30 CGEDMO CCCCCCCCCC[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000789354449 629127164 /nfs/dbraw/zinc/12/71/64/629127164.db2.gz IWIXBELHEJCPEA-QGZVFWFLSA-N 1 1 280.456 3.339 20 30 CGEDMO CC[N@@H+](Cc1ccc(C(=O)OC[C@H](C)C#N)cc1)C(C)C ZINC000805898773 629149943 /nfs/dbraw/zinc/14/99/43/629149943.db2.gz BARNUXHWNZCMDY-CQSZACIVSA-N 1 1 288.391 3.233 20 30 CGEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2[C@H](C)C[C@@H]2C)cc1 ZINC000791575272 629290250 /nfs/dbraw/zinc/29/02/50/629290250.db2.gz CCLURAKDCDCWOP-OWCLPIDISA-N 1 1 299.418 3.113 20 30 CGEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2[C@H](C)C[C@@H]2C)cc1 ZINC000791575272 629290251 /nfs/dbraw/zinc/29/02/51/629290251.db2.gz CCLURAKDCDCWOP-OWCLPIDISA-N 1 1 299.418 3.113 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(C#N)c(F)c1 ZINC000792211095 629349935 /nfs/dbraw/zinc/34/99/35/629349935.db2.gz YMWGVQJCFNQMOL-UHFFFAOYSA-N 1 1 296.320 3.472 20 30 CGEDMO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccc(C#N)c(F)c1 ZINC000792211095 629349939 /nfs/dbraw/zinc/34/99/39/629349939.db2.gz YMWGVQJCFNQMOL-UHFFFAOYSA-N 1 1 296.320 3.472 20 30 CGEDMO C#C[C@H](C)[NH2+]Cc1cc(C)c(F)cc1Br ZINC000862362735 629352106 /nfs/dbraw/zinc/35/21/06/629352106.db2.gz FCDOMWXOQCDJJY-VIFPVBQESA-N 1 1 270.145 3.008 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(OCOCC)cc2)C1 ZINC000862442407 629374370 /nfs/dbraw/zinc/37/43/70/629374370.db2.gz ZMAILERBVLQWNT-OAHLLOKOSA-N 1 1 275.392 3.457 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cnc(Cl)c(C)c2)C1 ZINC000862441584 629374618 /nfs/dbraw/zinc/37/46/18/629374618.db2.gz UBHGJAPTRLXVTB-GFCCVEGCSA-N 1 1 250.773 3.441 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000862443339 629377196 /nfs/dbraw/zinc/37/71/96/629377196.db2.gz OIMPONPNEFSLHO-QGZVFWFLSA-N 1 1 293.414 3.334 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2ccc3cnccc3c2)C1 ZINC000862446789 629379605 /nfs/dbraw/zinc/37/96/05/629379605.db2.gz DXESIRBKLCZBCD-AWEZNQCLSA-N 1 1 250.345 3.080 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(C)nc3ccccc23)C1 ZINC000862445389 629379849 /nfs/dbraw/zinc/37/98/49/629379849.db2.gz SCKNIEFXNIUIAR-OAHLLOKOSA-N 1 1 264.372 3.388 20 30 CGEDMO C[C@H](C[N@@H+](C)CC(C)(C)CCC#N)NC(=O)OC(C)(C)C ZINC000862540807 629396007 /nfs/dbraw/zinc/39/60/07/629396007.db2.gz JWOMDKYQHLXTCS-CYBMUJFWSA-N 1 1 297.443 3.161 20 30 CGEDMO C#CC[C@@H](CCOC)[NH2+][C@H](CCc1ccccc1)C(F)F ZINC000862547305 629398263 /nfs/dbraw/zinc/39/82/63/629398263.db2.gz AIFWPPXPQMUKRW-JKSUJKDBSA-N 1 1 295.373 3.271 20 30 CGEDMO C=CCCC[N@H+](C)CN1C[C@@H](c2ccccc2)OC1=O ZINC000863260641 629514375 /nfs/dbraw/zinc/51/43/75/629514375.db2.gz OKXLIGWZLPBFPD-HNNXBMFYSA-N 1 1 274.364 3.035 20 30 CGEDMO C#CC[C@@H]([NH2+]Cc1oc(CC)nc1C)c1ccccc1 ZINC000794462199 629544475 /nfs/dbraw/zinc/54/44/75/629544475.db2.gz PYWYDDYLLHBELB-OAHLLOKOSA-N 1 1 268.360 3.400 20 30 CGEDMO C[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1cncs1 ZINC000794827616 629582890 /nfs/dbraw/zinc/58/28/90/629582890.db2.gz LOXPDOPCQDBPQQ-SECBINFHSA-N 1 1 261.325 3.005 20 30 CGEDMO N#CC1(C[NH2+]C[C@H](O)c2ccc(F)cc2F)CCCCC1 ZINC000863573290 629607903 /nfs/dbraw/zinc/60/79/03/629607903.db2.gz MWCKNMQULNVWLU-HNNXBMFYSA-N 1 1 294.345 3.062 20 30 CGEDMO CCCCCCCC[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000795309449 629658022 /nfs/dbraw/zinc/65/80/22/629658022.db2.gz JPFDIRICFALPGO-INIZCTEOSA-N 1 1 252.446 3.375 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000795309449 629658027 /nfs/dbraw/zinc/65/80/27/629658027.db2.gz JPFDIRICFALPGO-INIZCTEOSA-N 1 1 252.446 3.375 20 30 CGEDMO CCCCCCCC[N@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000796339139 629768629 /nfs/dbraw/zinc/76/86/29/629768629.db2.gz AEBCDTNLHXVGJZ-HZPDHXFCSA-N 1 1 269.429 3.227 20 30 CGEDMO CCCCCCCC[N@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000796556933 629800256 /nfs/dbraw/zinc/80/02/56/629800256.db2.gz QZMVCJORFAJTCZ-JKSUJKDBSA-N 1 1 269.429 3.227 20 30 CGEDMO CCCCCCC[N@H+]1CCCC[C@H]1CCC(=O)NC ZINC000796587460 629803514 /nfs/dbraw/zinc/80/35/14/629803514.db2.gz HMDUGTJQJWIBMQ-HNNXBMFYSA-N 1 1 268.445 3.338 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccccc1C ZINC000796640555 629809228 /nfs/dbraw/zinc/80/92/28/629809228.db2.gz ZOSQCPKTXFTUDI-IBGZPJMESA-N 1 1 279.383 3.164 20 30 CGEDMO Oc1ccccc1/C=N\C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000864344810 629814420 /nfs/dbraw/zinc/81/44/20/629814420.db2.gz HKZGINMKQKUDFL-UWCCDQBKSA-N 1 1 272.392 3.218 20 30 CGEDMO CCCCCCC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000796856939 629849413 /nfs/dbraw/zinc/84/94/13/629849413.db2.gz OMSSDWKKDHMKCA-ARFHVFGLSA-N 1 1 252.446 3.419 20 30 CGEDMO C[C@H]([NH2+]CC1(CC#N)CC1)c1c(F)cccc1F ZINC000797423813 629945325 /nfs/dbraw/zinc/94/53/25/629945325.db2.gz WJJWBMBREHHWAZ-JTQLQIEISA-N 1 1 250.292 3.309 20 30 CGEDMO Cc1cc(C[NH2+]Cc2ccc(C#N)cc2F)cc(Cl)n1 ZINC000797600433 629966951 /nfs/dbraw/zinc/96/69/51/629966951.db2.gz UKHBFTJXKXHKJR-UHFFFAOYSA-N 1 1 289.741 3.344 20 30 CGEDMO CCc1[nH+]c(C)cn1CC#Cc1ccccc1Cl ZINC000865393313 630095717 /nfs/dbraw/zinc/09/57/17/630095717.db2.gz QLAPOACGWGAASV-UHFFFAOYSA-N 1 1 258.752 3.459 20 30 CGEDMO C=CCC[N@H+](C)C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000798952862 630128623 /nfs/dbraw/zinc/12/86/23/630128623.db2.gz BOZIDVOYQKMYTH-MRXNPFEDSA-N 1 1 282.428 3.141 20 30 CGEDMO C#CC[N@H+](Cc1cccc(OC)c1F)C1CCCC1 ZINC000800513484 630290009 /nfs/dbraw/zinc/29/00/09/630290009.db2.gz VUCMQRCXGRFNII-UHFFFAOYSA-N 1 1 261.340 3.212 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@H]1CC1CCCCC1 ZINC000801914301 630364895 /nfs/dbraw/zinc/36/48/95/630364895.db2.gz BOZZIWOQMYGGLV-ZBFHGGJFSA-N 1 1 264.413 3.350 20 30 CGEDMO CC(C)C[N@@H+](CCO[C@@H](C)C#N)CCc1ccc(F)cc1 ZINC000801915173 630365958 /nfs/dbraw/zinc/36/59/58/630365958.db2.gz KKRBWPPEBHEZJZ-HNNXBMFYSA-N 1 1 292.398 3.255 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000801921203 630366334 /nfs/dbraw/zinc/36/63/34/630366334.db2.gz ZLBGADALDPEMRI-OCCSQVGLSA-N 1 1 278.783 3.058 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000801921204 630366468 /nfs/dbraw/zinc/36/64/68/630366468.db2.gz ZLBGADALDPEMRI-TZMCWYRMSA-N 1 1 278.783 3.058 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000801923269 630367358 /nfs/dbraw/zinc/36/73/58/630367358.db2.gz CONJYLOBQDCVRL-INMHGKMJSA-N 1 1 272.392 3.041 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1C[C@H](C)C[C@H]1c1ccccc1F ZINC000801924006 630367778 /nfs/dbraw/zinc/36/77/78/630367778.db2.gz PTPBPRCFLACWHO-WWGRRREGSA-N 1 1 276.355 3.137 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CC[C@](C)(CCc2ccccc2)C1 ZINC000801926643 630368765 /nfs/dbraw/zinc/36/87/65/630368765.db2.gz UGIFJAMDEPZTJT-WMZOPIPTSA-N 1 1 286.419 3.260 20 30 CGEDMO C#Cc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000809628349 630766510 /nfs/dbraw/zinc/76/65/10/630766510.db2.gz VFKXHYAECDHMST-IBGZPJMESA-N 1 1 284.447 3.126 20 30 CGEDMO C#Cc1ccc(CNC[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000809628349 630766515 /nfs/dbraw/zinc/76/65/15/630766515.db2.gz VFKXHYAECDHMST-IBGZPJMESA-N 1 1 284.447 3.126 20 30 CGEDMO C#Cc1ccc(CNC[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000809628349 630766520 /nfs/dbraw/zinc/76/65/20/630766520.db2.gz VFKXHYAECDHMST-IBGZPJMESA-N 1 1 284.447 3.126 20 30 CGEDMO C[C@H]([NH2+]CC(C)(C)C#N)c1ccc(N2CCCC2=O)cc1 ZINC000809639142 630772321 /nfs/dbraw/zinc/77/23/21/630772321.db2.gz HKGIHLLTUKTWKQ-ZDUSSCGKSA-N 1 1 285.391 3.014 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)cc1 ZINC000811513835 631081926 /nfs/dbraw/zinc/08/19/26/631081926.db2.gz SDSOVDRJXWOFAT-SFHVURJKSA-N 1 1 281.399 3.463 20 30 CGEDMO C[C@@H]1C(=NOCc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000811645521 631096663 /nfs/dbraw/zinc/09/66/63/631096663.db2.gz PTDJVXHZIKWBJC-OAHLLOKOSA-N 1 1 295.386 3.249 20 30 CGEDMO C#CCCCCCN1CC[N@H+](C)C2(CCCCC2)C1 ZINC000878666825 635597614 /nfs/dbraw/zinc/59/76/14/635597614.db2.gz VNADSIHCUPWCAC-UHFFFAOYSA-N 1 1 262.441 3.130 20 30 CGEDMO C#CCCCCC[N@H+]1CCN(C)C2(CCCCC2)C1 ZINC000878666825 635597616 /nfs/dbraw/zinc/59/76/16/635597616.db2.gz VNADSIHCUPWCAC-UHFFFAOYSA-N 1 1 262.441 3.130 20 30 CGEDMO C#CCCCCC[N@@H+]1CCN(C)C2(CCCCC2)C1 ZINC000878666825 635597621 /nfs/dbraw/zinc/59/76/21/635597621.db2.gz VNADSIHCUPWCAC-UHFFFAOYSA-N 1 1 262.441 3.130 20 30 CGEDMO C=CCCCCCCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000811892547 631130942 /nfs/dbraw/zinc/13/09/42/631130942.db2.gz WDUDBQFTTJQTKO-HZPDHXFCSA-N 1 1 295.471 3.295 20 30 CGEDMO CC(=NOC1CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000812235348 631226284 /nfs/dbraw/zinc/22/62/84/631226284.db2.gz SWDVAJJZJPMIMJ-MRXNPFEDSA-N 1 1 272.392 3.454 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC1=NOC1CCC1 ZINC000812237025 631227049 /nfs/dbraw/zinc/22/70/49/631227049.db2.gz GVDUHDUFPYOUAL-ZDUSSCGKSA-N 1 1 258.365 3.063 20 30 CGEDMO C#C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC000812793017 631312520 /nfs/dbraw/zinc/31/25/20/631312520.db2.gz LTPKPWSZTVYWRJ-SFHVURJKSA-N 1 1 282.362 3.356 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000812833995 631322601 /nfs/dbraw/zinc/32/26/01/631322601.db2.gz FXPPCPUKWLQDDJ-CQSZACIVSA-N 1 1 282.428 3.188 20 30 CGEDMO C=C(CC)C[N@@H+](C)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000812833996 631322797 /nfs/dbraw/zinc/32/27/97/631322797.db2.gz FYADCHUPKBXWSL-AWEZNQCLSA-N 1 1 282.428 3.188 20 30 CGEDMO C[C@@H]1C[C@@H](C)C[NH+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876526119 634851100 /nfs/dbraw/zinc/85/11/00/634851100.db2.gz SSYVDTWKJXBTLO-GHMZBOCLSA-N 1 1 263.772 3.085 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)CC(=O)Nc1ccccc1Cl ZINC000876536072 634852749 /nfs/dbraw/zinc/85/27/49/634852749.db2.gz UYYSFPSNHLRFTH-GFCCVEGCSA-N 1 1 293.798 3.150 20 30 CGEDMO C=CCC(C)(C)CNc1nc(N2CCCC2)cc[nH+]1 ZINC000814370043 631575536 /nfs/dbraw/zinc/57/55/36/631575536.db2.gz QHOFVXGHGXLEJC-UHFFFAOYSA-N 1 1 260.385 3.091 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000879038682 635689424 /nfs/dbraw/zinc/68/94/24/635689424.db2.gz WMGJNWRICWVNBI-MELADBBJSA-N 1 1 267.413 3.251 20 30 CGEDMO c1cc2c3c(c1)C(=[NH+]O[C@@H]1CCCCO1)CC[C@H]3CN2 ZINC000814887522 631666019 /nfs/dbraw/zinc/66/60/19/631666019.db2.gz OMSVVCFWVJBBOF-XHDPSFHLSA-N 1 1 272.348 3.237 20 30 CGEDMO CCOCCO[NH+]=C(CC)c1ccc(Cl)c(N)c1 ZINC000814907373 631675839 /nfs/dbraw/zinc/67/58/39/631675839.db2.gz HHGAYRDELNZMKP-UHFFFAOYSA-N 1 1 270.760 3.089 20 30 CGEDMO C=C(C)CNN=C1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000814932556 631687609 /nfs/dbraw/zinc/68/76/09/631687609.db2.gz JGHOXUUBYYELRR-HNNXBMFYSA-N 1 1 271.408 3.193 20 30 CGEDMO C=C(C)CNN=C1CCC[N@H+](Cc2ccccc2)[C@H]1C ZINC000814932556 631687614 /nfs/dbraw/zinc/68/76/14/631687614.db2.gz JGHOXUUBYYELRR-HNNXBMFYSA-N 1 1 271.408 3.193 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccnc(Br)c1 ZINC000815050732 631707458 /nfs/dbraw/zinc/70/74/58/631707458.db2.gz GXMXZOFKQAJEOY-UHFFFAOYSA-N 1 1 269.186 3.242 20 30 CGEDMO CC(C)(C)[N@@H+](CCOCCC#N)Cc1ccc(F)cc1 ZINC000815062972 631708553 /nfs/dbraw/zinc/70/85/53/631708553.db2.gz SMIVXXUDQGHNEU-UHFFFAOYSA-N 1 1 278.371 3.356 20 30 CGEDMO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000815162990 631733744 /nfs/dbraw/zinc/73/37/44/631733744.db2.gz NRJWHGBWSJWVNU-WDEREUQCSA-N 1 1 264.756 3.083 20 30 CGEDMO C[C@@H]1[C@@H](C)C[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000815162990 631733748 /nfs/dbraw/zinc/73/37/48/631733748.db2.gz NRJWHGBWSJWVNU-WDEREUQCSA-N 1 1 264.756 3.083 20 30 CGEDMO C=CC[N@@H+](Cc1cc(Cl)c(F)cc1O)C1CC1 ZINC000816568258 632014779 /nfs/dbraw/zinc/01/47/79/632014779.db2.gz BGCFXUQELOQWBJ-UHFFFAOYSA-N 1 1 255.720 3.335 20 30 CGEDMO C=CC[N@H+](Cc1cc(Cl)c(F)cc1O)C1CC1 ZINC000816568258 632014787 /nfs/dbraw/zinc/01/47/87/632014787.db2.gz BGCFXUQELOQWBJ-UHFFFAOYSA-N 1 1 255.720 3.335 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)[C@H]1C ZINC000816649245 632036731 /nfs/dbraw/zinc/03/67/31/632036731.db2.gz WHCSEAZSBDMZSC-CABCVRRESA-N 1 1 294.402 3.304 20 30 CGEDMO CC(C)SCC[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879433246 635786767 /nfs/dbraw/zinc/78/67/67/635786767.db2.gz QWBDOJOZTBJRQG-UHFFFAOYSA-N 1 1 262.422 3.174 20 30 CGEDMO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(Cl)cc1O ZINC000818355411 632312638 /nfs/dbraw/zinc/31/26/38/632312638.db2.gz FLGQSJVWKHBLIG-JFGNBEQYSA-N 1 1 264.756 3.388 20 30 CGEDMO C=C(Br)C[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000105453735 635831668 /nfs/dbraw/zinc/83/16/68/635831668.db2.gz USWUGLFELVSMAG-LDYMZIIASA-N 1 1 270.170 3.401 20 30 CGEDMO CC(C)(c1noc([C@@H]([NH3+])CCCC#N)n1)c1ccccc1 ZINC000823074557 633056018 /nfs/dbraw/zinc/05/60/18/633056018.db2.gz DIIQFXPBBYSOQV-ZDUSSCGKSA-N 1 1 284.363 3.089 20 30 CGEDMO COC[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1ccccc1 ZINC000866295918 633068948 /nfs/dbraw/zinc/06/89/48/633068948.db2.gz DYZMXEURUDAWDF-CXAGYDPISA-N 1 1 296.370 3.302 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCO[C@@H](C(F)(F)F)CC2)cc1C#N ZINC000880050391 635904016 /nfs/dbraw/zinc/90/40/16/635904016.db2.gz BSGLUMIIMNKHFP-CQSZACIVSA-N 1 1 298.308 3.020 20 30 CGEDMO Cc1ccc(C[N@H+]2CCO[C@@H](C(F)(F)F)CC2)cc1C#N ZINC000880050391 635904020 /nfs/dbraw/zinc/90/40/20/635904020.db2.gz BSGLUMIIMNKHFP-CQSZACIVSA-N 1 1 298.308 3.020 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCO[C@H](C(F)(F)F)CC2)cc1C#N ZINC000880050390 635904291 /nfs/dbraw/zinc/90/42/91/635904291.db2.gz BSGLUMIIMNKHFP-AWEZNQCLSA-N 1 1 298.308 3.020 20 30 CGEDMO Cc1ccc(C[N@H+]2CCO[C@H](C(F)(F)F)CC2)cc1C#N ZINC000880050390 635904293 /nfs/dbraw/zinc/90/42/93/635904293.db2.gz BSGLUMIIMNKHFP-AWEZNQCLSA-N 1 1 298.308 3.020 20 30 CGEDMO C[C@@H]([NH2+][C@@H]1COCc2ccccc21)c1cccc(C#N)c1O ZINC000866377483 633111989 /nfs/dbraw/zinc/11/19/89/633111989.db2.gz VEOLTYMVSPCICF-SJKOYZFVSA-N 1 1 294.354 3.186 20 30 CGEDMO C[N@@H+](Cc1ccc(CC#N)cc1)C[C@](C)(O)c1ccccc1 ZINC000823606045 633126791 /nfs/dbraw/zinc/12/67/91/633126791.db2.gz PZADETKKDCAEIB-IBGZPJMESA-N 1 1 294.398 3.092 20 30 CGEDMO Cc1ncc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2O)s1 ZINC000866456309 633143230 /nfs/dbraw/zinc/14/32/30/633143230.db2.gz XUVWYMYYTKTKJX-NXEZZACHSA-N 1 1 287.388 3.441 20 30 CGEDMO C=C(C)CO[NH+]=C(C)c1ccc(N2CCCC2)cc1O ZINC000844619013 635942668 /nfs/dbraw/zinc/94/26/68/635942668.db2.gz RXEJYCGISPLMHI-UHFFFAOYSA-N 1 1 274.364 3.309 20 30 CGEDMO Cc1cc(O)c(C[N@@H+](CCC#N)C(C)C)cc1Cl ZINC000824593955 633262470 /nfs/dbraw/zinc/26/24/70/633262470.db2.gz WDIIXEHZKYYEDX-UHFFFAOYSA-N 1 1 266.772 3.478 20 30 CGEDMO Cc1cc(O)c(C[N@H+](CCC#N)C(C)C)cc1Cl ZINC000824593955 633262472 /nfs/dbraw/zinc/26/24/72/633262472.db2.gz WDIIXEHZKYYEDX-UHFFFAOYSA-N 1 1 266.772 3.478 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000826862140 633438711 /nfs/dbraw/zinc/43/87/11/633438711.db2.gz VUMLKMAREDCPBF-LLVKDONJSA-N 1 1 264.756 3.171 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CCO[C@@](C)(C3CC3)C2)cc1 ZINC000826878335 633440032 /nfs/dbraw/zinc/44/00/32/633440032.db2.gz XBNQCUANADIAPW-LJQANCHMSA-N 1 1 299.414 3.090 20 30 CGEDMO C#CC[N@@H+](CCC[C@@H]1CCOC1)[C@H]1CCc2ccccc21 ZINC000827808924 633520890 /nfs/dbraw/zinc/52/08/90/633520890.db2.gz UULYBUWZLMSZOD-APWZRJJASA-N 1 1 283.415 3.426 20 30 CGEDMO C=CCCCC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000870123618 633532911 /nfs/dbraw/zinc/53/29/11/633532911.db2.gz GTNQSCUAQGMVRX-INIZCTEOSA-N 1 1 286.419 3.248 20 30 CGEDMO C#C[C@@H](C)[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000123015465 633545902 /nfs/dbraw/zinc/54/59/02/633545902.db2.gz BAYLAJAYHIBRBY-SNVBAGLBSA-N 1 1 260.337 3.061 20 30 CGEDMO C#CCC[C@@H](O)CNc1cc[nH+]c2cc(F)c(Cl)cc12 ZINC000828080666 633557683 /nfs/dbraw/zinc/55/76/83/633557683.db2.gz GXNQJDNENANIJE-SNVBAGLBSA-N 1 1 292.741 3.214 20 30 CGEDMO Cc1ccc([C@H](C)[NH2+]Cc2ccncc2C#N)s1 ZINC000828241394 633592991 /nfs/dbraw/zinc/59/29/91/633592991.db2.gz RHVXJEVVELOGTJ-NSHDSACASA-N 1 1 257.362 3.174 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(C)c2)C1 ZINC000829773132 633780175 /nfs/dbraw/zinc/78/01/75/633780175.db2.gz BANFWEZTVOGGAG-JKSUJKDBSA-N 1 1 284.403 3.057 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2csc([C@@H](C)OC)n2)C1 ZINC000829784069 633781979 /nfs/dbraw/zinc/78/19/79/633781979.db2.gz FZRPYLVGZPPWJT-OLZOCXBDSA-N 1 1 278.421 3.086 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2csc([C@@H](C)OC)n2)C1 ZINC000829784069 633781980 /nfs/dbraw/zinc/78/19/80/633781980.db2.gz FZRPYLVGZPPWJT-OLZOCXBDSA-N 1 1 278.421 3.086 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2ccn(-c3ccccc3)n2)C1 ZINC000829779467 633782325 /nfs/dbraw/zinc/78/23/25/633782325.db2.gz VQFBLJIILZGEKN-INIZCTEOSA-N 1 1 279.387 3.108 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+]([C@H](CCOC)c2ccccc2)C1 ZINC000829805260 633789291 /nfs/dbraw/zinc/78/92/91/633789291.db2.gz RQJCNILTCYJAHS-SJLPKXTDSA-N 1 1 271.404 3.500 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](CCCCC2CCOCC2)C1 ZINC000829815329 633795823 /nfs/dbraw/zinc/79/58/23/633795823.db2.gz KABFZFCKPJXDBA-KRWDZBQOSA-N 1 1 263.425 3.319 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 ZINC000829863930 633803882 /nfs/dbraw/zinc/80/38/82/633803882.db2.gz GAKLVSYIWBGTHR-OAHLLOKOSA-N 1 1 253.349 3.032 20 30 CGEDMO C#CCC[N@H+]1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000829863930 633803883 /nfs/dbraw/zinc/80/38/83/633803883.db2.gz GAKLVSYIWBGTHR-OAHLLOKOSA-N 1 1 253.349 3.032 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000829863930 633803887 /nfs/dbraw/zinc/80/38/87/633803887.db2.gz GAKLVSYIWBGTHR-OAHLLOKOSA-N 1 1 253.349 3.032 20 30 CGEDMO C#CC1CC[NH+](CC(=O)Nc2c(C)cccc2C(C)C)CC1 ZINC000830305298 633848237 /nfs/dbraw/zinc/84/82/37/633848237.db2.gz KSYVXDGAEVUODA-UHFFFAOYSA-N 1 1 298.430 3.402 20 30 CGEDMO C[C@H]1CCC(C)(C)[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000832564299 634072949 /nfs/dbraw/zinc/07/29/49/634072949.db2.gz FBFKHVNRLRXUGB-ZDUSSCGKSA-N 1 1 258.365 3.352 20 30 CGEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2sccc2C)no1 ZINC000872181812 634080357 /nfs/dbraw/zinc/08/03/57/634080357.db2.gz BVALSLHVKFHKCQ-QMMMGPOBSA-N 1 1 269.757 3.249 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](OC3CCC3)CC2)C1 ZINC000872280813 634099788 /nfs/dbraw/zinc/09/97/88/634099788.db2.gz PVSHQZXCGWCXMC-YCPHGPKFSA-N 1 1 262.397 3.102 20 30 CGEDMO Cc1[nH+]c(C=NNC[C@@H]2CCCC2(F)F)c2ccccn12 ZINC000872407570 634135216 /nfs/dbraw/zinc/13/52/16/634135216.db2.gz AJRHEWKEXCFCEK-LBPRGKRZSA-N 1 1 292.333 3.002 20 30 CGEDMO C=CC[C@H]([NH2+][C@H](C)c1nccn1CC)c1ccncc1 ZINC000834588266 634191638 /nfs/dbraw/zinc/19/16/38/634191638.db2.gz AJQLYYSKDKIXAD-HIFRSBDPSA-N 1 1 270.380 3.266 20 30 CGEDMO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2nccn2CC)cc1 ZINC000834896723 634273297 /nfs/dbraw/zinc/27/32/97/634273297.db2.gz WWZAHEPZXZGBCE-GJZGRUSLSA-N 1 1 297.402 3.327 20 30 CGEDMO CC(CC(C)(C)C)=[NH+]n1cc(Br)cn1 ZINC000834966001 634296906 /nfs/dbraw/zinc/29/69/06/634296906.db2.gz KICUEEOZWKKXTC-UHFFFAOYSA-N 1 1 258.163 3.306 20 30 CGEDMO CCc1ccc(N[NH+]=Cc2cnc(N3CCCC3)nc2)cc1 ZINC000835010854 634315201 /nfs/dbraw/zinc/31/52/01/634315201.db2.gz JRYZTAVDFOLQBC-UHFFFAOYSA-N 1 1 295.390 3.085 20 30 CGEDMO CC[C@H](C)C[N@@H+](C)Cc1cc(C#N)cnc1Cl ZINC000876611134 634867398 /nfs/dbraw/zinc/86/73/98/634867398.db2.gz RQKZLZBXFZQJFO-JTQLQIEISA-N 1 1 251.761 3.085 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@@H]1COC(=O)C1(C#N)CCCCC1 ZINC000837465375 634914506 /nfs/dbraw/zinc/91/45/06/634914506.db2.gz FYISIFVQLXUCTN-OAHLLOKOSA-N 1 1 292.423 3.267 20 30 CGEDMO C=CC[C@H]([NH2+]Cc1cc(C2CC2)no1)c1ccncc1 ZINC000877047192 634962904 /nfs/dbraw/zinc/96/29/04/634962904.db2.gz ZKSLZDUMYPPTCN-HNNXBMFYSA-N 1 1 269.348 3.354 20 30 CGEDMO C[C@H]([NH2+]CC(C)(C)CC#N)c1ccc(F)cc1O ZINC000840786751 635052573 /nfs/dbraw/zinc/05/25/73/635052573.db2.gz CWXZOQZKKOCOHG-JTQLQIEISA-N 1 1 250.317 3.122 20 30 CGEDMO CC[N@H+](Cc1cc(C#N)cnc1Cl)CC1CCC1 ZINC000877492484 635059470 /nfs/dbraw/zinc/05/94/70/635059470.db2.gz XKEHHKMTLRKJCD-UHFFFAOYSA-N 1 1 263.772 3.229 20 30 CGEDMO C#CCCCCCC[N@H+](C)CCCn1ccnc1C ZINC000877528342 635073933 /nfs/dbraw/zinc/07/39/33/635073933.db2.gz XTIZECGWJSESLH-UHFFFAOYSA-N 1 1 261.413 3.097 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000877605830 635108613 /nfs/dbraw/zinc/10/86/13/635108613.db2.gz WVZNQPOCPMBISL-MSOLQXFVSA-N 1 1 282.431 3.248 20 30 CGEDMO N#CC1(C[NH2+]Cc2cnc(Cl)c(F)c2)CCCC1 ZINC000877609338 635110670 /nfs/dbraw/zinc/11/06/70/635110670.db2.gz KQUJRKJGRBYWHL-UHFFFAOYSA-N 1 1 267.735 3.048 20 30 CGEDMO CN(C)c1ccc(F)cc1C[NH2+]CC1(C#N)CCCC1 ZINC000877609097 635110778 /nfs/dbraw/zinc/11/07/78/635110778.db2.gz GFNXZRGPPLAGAX-UHFFFAOYSA-N 1 1 275.371 3.065 20 30 CGEDMO C#CCCCCCC[N@H+]1Cc2ccc(C#N)cc2C1 ZINC000877619104 635116216 /nfs/dbraw/zinc/11/62/16/635116216.db2.gz OEGCAQQNULEKCA-UHFFFAOYSA-N 1 1 252.361 3.458 20 30 CGEDMO CSC(C)(C)CC[N@H+]1Cc2ccc(C#N)cc2C1 ZINC000877619434 635116225 /nfs/dbraw/zinc/11/62/25/635116225.db2.gz YXVPJYIZVCGIQJ-UHFFFAOYSA-N 1 1 260.406 3.406 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1ccc(Cl)o1 ZINC000877704076 635155610 /nfs/dbraw/zinc/15/56/10/635155610.db2.gz HILGHJWHVYPTAZ-UHFFFAOYSA-N 1 1 274.751 3.479 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1cccs1 ZINC000877704327 635156799 /nfs/dbraw/zinc/15/67/99/635156799.db2.gz MEPSVLQKFCRLSP-UHFFFAOYSA-N 1 1 256.374 3.294 20 30 CGEDMO Cc1nc(F)ccc1C[N@@H+](C)CCc1cccc(C#N)c1 ZINC000877704687 635157102 /nfs/dbraw/zinc/15/71/02/635157102.db2.gz MALBHLXREUJLLI-UHFFFAOYSA-N 1 1 283.350 3.075 20 30 CGEDMO CC(C)n1cc(C[N@@H+](C)CCc2cccc(C#N)c2)cn1 ZINC000877704520 635157334 /nfs/dbraw/zinc/15/73/34/635157334.db2.gz PUVIXRIQYVVKNB-UHFFFAOYSA-N 1 1 282.391 3.010 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000877710764 635159541 /nfs/dbraw/zinc/15/95/41/635159541.db2.gz RZJYGSDVYFBGPJ-GDBMZVCRSA-N 1 1 264.413 3.350 20 30 CGEDMO C=CCNN=C1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000841637531 635204794 /nfs/dbraw/zinc/20/47/94/635204794.db2.gz ISUIZEZEGPVVNL-KRWDZBQOSA-N 1 1 269.392 3.118 20 30 CGEDMO C[C@H](CCC#N)CN1CCC(C)([NH+]2CCCCC2)CC1 ZINC000877794936 635205177 /nfs/dbraw/zinc/20/51/77/635205177.db2.gz WUMSWFWEYOUUMZ-MRXNPFEDSA-N 1 1 277.456 3.267 20 30 CGEDMO COC(=O)c1ccc(N[NH2+]C(C)=C2CC2(F)F)cc1F ZINC000841642937 635207214 /nfs/dbraw/zinc/20/72/14/635207214.db2.gz DNHOWTVLQCZLRB-SNVBAGLBSA-N 1 1 286.253 3.055 20 30 CGEDMO C#CCCCCCC[N@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000877821211 635225502 /nfs/dbraw/zinc/22/55/02/635225502.db2.gz LYTWFZUAZMTYMB-ZDUSSCGKSA-N 1 1 277.330 3.223 20 30 CGEDMO CN(C)c1ccc(/C=C\C[NH2+]CC2(C#N)CCC2)cc1 ZINC000841897951 635250416 /nfs/dbraw/zinc/25/04/16/635250416.db2.gz JHZNBUCPTKXQDY-HYXAFXHYSA-N 1 1 269.392 3.049 20 30 CGEDMO C=CCCCCO[NH+]=C(N)Cc1ccc(OC)c(OC)c1 ZINC000842024719 635257654 /nfs/dbraw/zinc/25/76/54/635257654.db2.gz QHODXQDGJSMTFO-UHFFFAOYSA-N 1 1 292.379 3.101 20 30 CGEDMO C=CC[C@@H](C)[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000877922981 635272146 /nfs/dbraw/zinc/27/21/46/635272146.db2.gz YLOZPBJQTQSDJY-CQSZACIVSA-N 1 1 255.365 3.269 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000877936048 635279029 /nfs/dbraw/zinc/27/90/29/635279029.db2.gz XTRNKHJNYPRYFM-JTDSTZFVSA-N 1 1 298.430 3.405 20 30 CGEDMO C=CC[C@@H](C)[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000877939343 635280677 /nfs/dbraw/zinc/28/06/77/635280677.db2.gz VWKADWQZKLWUEK-GFCCVEGCSA-N 1 1 261.365 3.027 20 30 CGEDMO C[C@H](c1cccc(F)c1)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000842147426 635295979 /nfs/dbraw/zinc/29/59/79/635295979.db2.gz CYOSCFNNYNXVIH-ACJLOTCBSA-N 1 1 298.361 3.424 20 30 CGEDMO C[C@@H](c1cccc(F)c1)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000842147429 635297320 /nfs/dbraw/zinc/29/73/20/635297320.db2.gz CYOSCFNNYNXVIH-UGSOOPFHSA-N 1 1 298.361 3.424 20 30 CGEDMO N#Cc1ccc(C[N@@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C2CC2)cc1 ZINC000878002250 635314919 /nfs/dbraw/zinc/31/49/19/635314919.db2.gz RTHADHQJWXVRTE-WDSOQIARSA-N 1 1 296.414 3.480 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000878009518 635318350 /nfs/dbraw/zinc/31/83/50/635318350.db2.gz VASCBAYIKLEBOG-MRXNPFEDSA-N 1 1 286.419 3.104 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000878009518 635318355 /nfs/dbraw/zinc/31/83/55/635318355.db2.gz VASCBAYIKLEBOG-MRXNPFEDSA-N 1 1 286.419 3.104 20 30 CGEDMO C#CC1CC[NH+](CN2c3cccc4cccc(c34)C2=O)CC1 ZINC000842634336 635422603 /nfs/dbraw/zinc/42/26/03/635422603.db2.gz VEPODGLXQPRCJW-UHFFFAOYSA-N 1 1 290.366 3.103 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000878255567 635433991 /nfs/dbraw/zinc/43/39/91/635433991.db2.gz RYAGNBQRXRDCTR-RDBSUJKOSA-N 1 1 282.428 3.186 20 30 CGEDMO C=C/C=C\CC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000878322881 635460877 /nfs/dbraw/zinc/46/08/77/635460877.db2.gz QOKOMNSFGCCQMW-CWIOURORSA-N 1 1 268.360 3.064 20 30 CGEDMO C=C/C=C\CC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000878322881 635460882 /nfs/dbraw/zinc/46/08/82/635460882.db2.gz QOKOMNSFGCCQMW-CWIOURORSA-N 1 1 268.360 3.064 20 30 CGEDMO C=C(C)[C@@H](CC(=O)OC[C@@H]1CCC[N@H+](C(C)C)C1)OCC ZINC000842831141 635485536 /nfs/dbraw/zinc/48/55/36/635485536.db2.gz QCVDZTJDLSQBAU-HZPDHXFCSA-N 1 1 297.439 3.021 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000878405003 635492564 /nfs/dbraw/zinc/49/25/64/635492564.db2.gz BDMYBBKHZRKIRR-STQMWFEESA-N 1 1 256.340 3.438 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000878435319 635508723 /nfs/dbraw/zinc/50/87/23/635508723.db2.gz GVLABCFBEXCTFQ-UONOGXRCSA-N 1 1 253.386 3.005 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878525321 635544254 /nfs/dbraw/zinc/54/42/54/635544254.db2.gz ZJHAJBADJMJJBP-OALUTQOASA-N 1 1 296.414 3.468 20 30 CGEDMO CC(C)(C)c1ccc([C@@H](O)C[NH2+]C[C@@H](C#N)CCC#N)cc1 ZINC000843083074 635556852 /nfs/dbraw/zinc/55/68/52/635556852.db2.gz WKCSERJGMJORQP-PBHICJAKSA-N 1 1 299.418 3.051 20 30 CGEDMO C#CCCCCC[N@@H+]1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000878657439 635593705 /nfs/dbraw/zinc/59/37/05/635593705.db2.gz LGHYWTWLGWRDNZ-MRXNPFEDSA-N 1 1 273.424 3.039 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+]Cc1coc(-c2ccccc2OC)n1 ZINC000878660835 635595494 /nfs/dbraw/zinc/59/54/94/635595494.db2.gz NQSAOEFQPAOXFQ-KRWDZBQOSA-N 1 1 284.359 3.242 20 30 CGEDMO C=CC[N@H+](Cc1cc(C(F)(F)F)co1)[C@H](C)COC ZINC000878890175 635650947 /nfs/dbraw/zinc/65/09/47/635650947.db2.gz WBWDUNXOAQMWOM-SNVBAGLBSA-N 1 1 277.286 3.321 20 30 CGEDMO C=CC[N@@H+](Cc1cc(C(F)(F)F)co1)[C@H](C)COC ZINC000878890175 635650955 /nfs/dbraw/zinc/65/09/55/635650955.db2.gz WBWDUNXOAQMWOM-SNVBAGLBSA-N 1 1 277.286 3.321 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(C)c(Cl)n1)[C@H](C)COC ZINC000878889869 635651125 /nfs/dbraw/zinc/65/11/25/635651125.db2.gz LHUINYQYIVROAC-GFCCVEGCSA-N 1 1 268.788 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000878903914 635654274 /nfs/dbraw/zinc/65/42/74/635654274.db2.gz HGMOTBJWIPBVJI-ZDUSSCGKSA-N 1 1 273.767 3.172 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000878903914 635654279 /nfs/dbraw/zinc/65/42/79/635654279.db2.gz HGMOTBJWIPBVJI-ZDUSSCGKSA-N 1 1 273.767 3.172 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cnc3ccc(Cl)cn23)C1 ZINC000843423409 635666097 /nfs/dbraw/zinc/66/60/97/635666097.db2.gz CRRAVFNOSPHMIV-CYBMUJFWSA-N 1 1 287.794 3.223 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2cnc(C3CC3)s2)C1 ZINC000843423289 635666910 /nfs/dbraw/zinc/66/69/10/635666910.db2.gz BZKQDNWHGOQAAF-GFCCVEGCSA-N 1 1 260.406 3.256 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccccc2-c2ccnn2C)C1 ZINC000843422313 635667208 /nfs/dbraw/zinc/66/72/08/635667208.db2.gz DTTUSALOFDGLMH-MRXNPFEDSA-N 1 1 293.414 3.322 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000843424334 635668099 /nfs/dbraw/zinc/66/80/99/635668099.db2.gz SBROUDQXTYMWIR-AWEZNQCLSA-N 1 1 272.348 3.139 20 30 CGEDMO C[N@H+](C[C@@H](O)c1cc2ccccc2o1)[C@H]1CCC[C@@H]1C#N ZINC000879310492 635752221 /nfs/dbraw/zinc/75/22/21/635752221.db2.gz UDXDALCBWCDCPJ-QLFBSQMISA-N 1 1 284.359 3.090 20 30 CGEDMO C[N@@H+](C[C@@H](O)c1cc2ccccc2o1)[C@H]1CCC[C@@H]1C#N ZINC000879310492 635752227 /nfs/dbraw/zinc/75/22/27/635752227.db2.gz UDXDALCBWCDCPJ-QLFBSQMISA-N 1 1 284.359 3.090 20 30 CGEDMO C[N@@H+](CC[C@@H]1CCCC1(F)F)[C@H]1CCC[C@@H]1C#N ZINC000879309498 635752592 /nfs/dbraw/zinc/75/25/92/635752592.db2.gz NUSWLOSIBOWSID-AGIUHOORSA-N 1 1 256.340 3.436 20 30 CGEDMO CCOc1ccc(O)c(/C=N\CCC[N@@H+](C)CC(C)C)c1 ZINC000844269978 635851078 /nfs/dbraw/zinc/85/10/78/635851078.db2.gz GJAIKNJDLCFNLT-PDGQHHTCSA-N 1 1 292.423 3.188 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](C)[C@H](C)CSc1ccccc1 ZINC000844362039 635880017 /nfs/dbraw/zinc/88/00/17/635880017.db2.gz WVVPVXIDLLGDGU-ZIAGYGMSSA-N 1 1 278.421 3.028 20 30 CGEDMO CC(C)c1cc([C@@H]2CCC[N@H+]([C@@H](C)CCC#N)C2)[nH]n1 ZINC000879919284 635882946 /nfs/dbraw/zinc/88/29/46/635882946.db2.gz PHGKIMVBMDESHZ-UONOGXRCSA-N 1 1 274.412 3.405 20 30 CGEDMO CC(C)c1cc([C@@H]2CCC[N@@H+]([C@@H](C)CCC#N)C2)n[nH]1 ZINC000879919284 635882954 /nfs/dbraw/zinc/88/29/54/635882954.db2.gz PHGKIMVBMDESHZ-UONOGXRCSA-N 1 1 274.412 3.405 20 30 CGEDMO CC(C)c1cc([C@@H]2CCC[N@H+]([C@@H](C)CCC#N)C2)n[nH]1 ZINC000879919284 635882963 /nfs/dbraw/zinc/88/29/63/635882963.db2.gz PHGKIMVBMDESHZ-UONOGXRCSA-N 1 1 274.412 3.405 20 30 CGEDMO CCCCc1nc(CO[NH+]=C(N)CCC)cs1 ZINC000105605878 635959241 /nfs/dbraw/zinc/95/92/41/635959241.db2.gz IYMNEUQWNUUVTD-UHFFFAOYSA-N 1 1 255.387 3.075 20 30 CGEDMO N#CC1(CC[NH2+]C2(c3ncccn3)CCC2)CCCCC1 ZINC000880368207 635982545 /nfs/dbraw/zinc/98/25/45/635982545.db2.gz SDIASJUWFLOATG-UHFFFAOYSA-N 1 1 284.407 3.310 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880539226 636017835 /nfs/dbraw/zinc/01/78/35/636017835.db2.gz TVJPKQXHEHTUQI-ZQIUZPCESA-N 1 1 257.377 3.248 20 30 CGEDMO Cc1ccc(-c2nnc([C@H](C)O[NH+]=C(N)C(C)C)o2)cc1 ZINC000128491885 636022222 /nfs/dbraw/zinc/02/22/22/636022222.db2.gz FHTIFZVECZDPHJ-NSHDSACASA-N 1 1 288.351 3.051 20 30 CGEDMO C=CCCC[N@@H+](C)Cc1c(Cl)nc(Cl)n1C ZINC000128886631 636090508 /nfs/dbraw/zinc/09/05/08/636090508.db2.gz VHFWDOGTRIHDRZ-UHFFFAOYSA-N 1 1 262.184 3.125 20 30 CGEDMO C=CCCC[N@H+](C)Cc1c(Cl)nc(Cl)n1C ZINC000128886631 636090509 /nfs/dbraw/zinc/09/05/09/636090509.db2.gz VHFWDOGTRIHDRZ-UHFFFAOYSA-N 1 1 262.184 3.125 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(OC)cc2F)C1 ZINC000845987857 636127221 /nfs/dbraw/zinc/12/72/21/636127221.db2.gz MFQSLBLBPGSAEA-ZDUSSCGKSA-N 1 1 261.340 3.070 20 30 CGEDMO Cc1ccc(N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c(C#N)n1 ZINC000881821798 636203681 /nfs/dbraw/zinc/20/36/81/636203681.db2.gz NINHNCTVEMHVRY-OWCLPIDISA-N 1 1 298.434 3.103 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(SC(=O)N(C)C)cc1 ZINC000846996990 636305355 /nfs/dbraw/zinc/30/53/55/636305355.db2.gz ZARLFEYYLLGTFW-ZDUSSCGKSA-N 1 1 291.420 3.242 20 30 CGEDMO N#Cc1cc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)ccc1C1CC1 ZINC000882310406 636310226 /nfs/dbraw/zinc/31/02/26/636310226.db2.gz ITUILHSTRIWIQW-KRWDZBQOSA-N 1 1 295.386 3.001 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccc(C)cc3)o2)C1 ZINC000847023896 636314808 /nfs/dbraw/zinc/31/48/08/636314808.db2.gz GHWPJNVCIHTGGG-OAHLLOKOSA-N 1 1 280.371 3.495 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ncc(-c3ccc(C)cc3)o2)C1 ZINC000847023896 636314814 /nfs/dbraw/zinc/31/48/14/636314814.db2.gz GHWPJNVCIHTGGG-OAHLLOKOSA-N 1 1 280.371 3.495 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000847028475 636318085 /nfs/dbraw/zinc/31/80/85/636318085.db2.gz YWYCEZVQMAEPSP-LBPRGKRZSA-N 1 1 272.373 3.248 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000847028475 636318092 /nfs/dbraw/zinc/31/80/92/636318092.db2.gz YWYCEZVQMAEPSP-LBPRGKRZSA-N 1 1 272.373 3.248 20 30 CGEDMO CC[N@@H+](CC(C)C)Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000131056728 636549770 /nfs/dbraw/zinc/54/97/70/636549770.db2.gz AEBYFJQODQIZSP-UHFFFAOYSA-N 1 1 297.406 3.061 20 30 CGEDMO C=CCC[C@H]([NH2+]C1CCN(CC(C)C)CC1)[C@@H]1CCCO1 ZINC000883169850 636564285 /nfs/dbraw/zinc/56/42/85/636564285.db2.gz FSZMSZOKRZVHNJ-ROUUACIJSA-N 1 1 294.483 3.210 20 30 CGEDMO Cc1cc(C)cc(-c2noc([C@@H]([NH3+])CCCCC#N)n2)c1 ZINC000848621883 636621460 /nfs/dbraw/zinc/62/14/60/636621460.db2.gz PKESAWWHAXKOTK-AWEZNQCLSA-N 1 1 284.363 3.437 20 30 CGEDMO C=CCC[C@@H](C)[NH2+][C@H](C)C(=O)OCc1ccccc1 ZINC000848921894 636692772 /nfs/dbraw/zinc/69/27/72/636692772.db2.gz XCSMGMKCMPBHIN-ZIAGYGMSSA-N 1 1 261.365 3.063 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC000848924145 636695204 /nfs/dbraw/zinc/69/52/04/636695204.db2.gz OPPQFPLNSJSDRI-HNNXBMFYSA-N 1 1 273.424 3.100 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc3nc(C)ccc3c2)C1 ZINC000848923944 636695760 /nfs/dbraw/zinc/69/57/60/636695760.db2.gz LMKZULHJRJKYIO-OAHLLOKOSA-N 1 1 264.372 3.388 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cccc(OC)c2OC(F)F)C1 ZINC000848923837 636696003 /nfs/dbraw/zinc/69/60/03/636696003.db2.gz QYHPCHOWYZIINC-GFCCVEGCSA-N 1 1 295.329 3.142 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cccc(OC)c2OC(F)F)C1 ZINC000848923837 636696009 /nfs/dbraw/zinc/69/60/09/636696009.db2.gz QYHPCHOWYZIINC-GFCCVEGCSA-N 1 1 295.329 3.142 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC[C@H](OC3CCC3)C2)cc1 ZINC000848925589 636697138 /nfs/dbraw/zinc/69/71/38/636697138.db2.gz XNODRKGDCIARCW-IBGZPJMESA-N 1 1 299.414 3.232 20 30 CGEDMO C=C(Cl)CNc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000849314277 636805446 /nfs/dbraw/zinc/80/54/46/636805446.db2.gz FJBHXZDKBSPWEU-ZDUSSCGKSA-N 1 1 280.799 3.244 20 30 CGEDMO C=CCCCCCC[NH2+]Cc1ccnn1-c1ccncc1 ZINC000850298608 637009352 /nfs/dbraw/zinc/00/93/52/637009352.db2.gz YXZRACNCRBPDHD-UHFFFAOYSA-N 1 1 284.407 3.493 20 30 CGEDMO CC(C)(C)C1=CC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000886089776 637404057 /nfs/dbraw/zinc/40/40/57/637404057.db2.gz JJDYGJBOUPQXQY-HNNXBMFYSA-N 1 1 276.424 3.109 20 30 CGEDMO CC[C@H]1Cc2ccccc2C[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886138671 637432374 /nfs/dbraw/zinc/43/23/74/637432374.db2.gz QTOHFSYKPMDOLV-ZWKOTPCHSA-N 1 1 298.430 3.268 20 30 CGEDMO Cc1cccc(C[N@@H+](C)C[C@@H](O)CC2(C#N)CCC2)c1C ZINC000886215217 637460700 /nfs/dbraw/zinc/46/07/00/637460700.db2.gz GEDUVBRUYMAUOJ-KRWDZBQOSA-N 1 1 286.419 3.180 20 30 CGEDMO N#CC1(C[C@H](O)C[N@H+]2CCCC[C@@H]2C2CCC2)CCC1 ZINC000886267095 637473338 /nfs/dbraw/zinc/47/33/38/637473338.db2.gz FYUNDNYCPPAHRM-JKSUJKDBSA-N 1 1 276.424 3.086 20 30 CGEDMO CSc1ccc(C[NH2+]Cc2nc(C)cs2)cc1C#N ZINC000886279125 637480103 /nfs/dbraw/zinc/48/01/03/637480103.db2.gz QDICXOBLMHWMFV-UHFFFAOYSA-N 1 1 289.429 3.335 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)[C@H]1CC[C@@H](OC)C1 ZINC000851738021 637485386 /nfs/dbraw/zinc/48/53/86/637485386.db2.gz UOXNEFAWDJGCEN-DLBZAZTESA-N 1 1 259.393 3.285 20 30 CGEDMO C[C@@]1(C2CCCCC2)CC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886312290 637495427 /nfs/dbraw/zinc/49/54/27/637495427.db2.gz ZLSLRNANXFBMMU-IRXDYDNUSA-N 1 1 290.451 3.476 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2coc(-c3ccccc3F)n2)C1 ZINC000886365145 637515259 /nfs/dbraw/zinc/51/52/59/637515259.db2.gz AVEUSGSBJBESQO-ZDUSSCGKSA-N 1 1 284.334 3.326 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2nsc3ccccc32)C1 ZINC000886365961 637515813 /nfs/dbraw/zinc/51/58/13/637515813.db2.gz UHKLVVLZTPXFQQ-LBPRGKRZSA-N 1 1 256.374 3.142 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H]1CC[C@H](OC)C1 ZINC000852041200 637576868 /nfs/dbraw/zinc/57/68/68/637576868.db2.gz RHJYPHPSEKREDR-IRXDYDNUSA-N 1 1 291.439 3.410 20 30 CGEDMO N#CC1(CC[N@H+]2C[C@@H]3CSC[C@@H]3C2)CCCCC1 ZINC000886570542 637585011 /nfs/dbraw/zinc/58/50/11/637585011.db2.gz OCIAOLXSDCLZDN-OKILXGFUSA-N 1 1 264.438 3.145 20 30 CGEDMO C#C[C@](C)(CC)[NH2+]Cc1ccn(-c2c(F)cccc2F)n1 ZINC000852099814 637593927 /nfs/dbraw/zinc/59/39/27/637593927.db2.gz BGWXDPGWPOZMMO-MRXNPFEDSA-N 1 1 289.329 3.042 20 30 CGEDMO C#C[C@](C)(CC)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000852100034 637594155 /nfs/dbraw/zinc/59/41/55/637594155.db2.gz DXMDTNOISFRTFB-MRXNPFEDSA-N 1 1 299.330 3.141 20 30 CGEDMO C#CCOCC[N@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000852207369 637616588 /nfs/dbraw/zinc/61/65/88/637616588.db2.gz GDMPKCDTTFXDGH-QGZVFWFLSA-N 1 1 267.372 3.030 20 30 CGEDMO C=CCCSCC[NH2+][C@H](C)c1c(O)cccc1F ZINC000886636060 637620801 /nfs/dbraw/zinc/62/08/01/637620801.db2.gz FOBAXCLTVRFKKN-LLVKDONJSA-N 1 1 269.385 3.491 20 30 CGEDMO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CC2CCCC2)C1 ZINC000852324624 637635171 /nfs/dbraw/zinc/63/51/71/637635171.db2.gz BSQYAELEZPQZEB-KRWDZBQOSA-N 1 1 269.392 3.129 20 30 CGEDMO N#C[C@]1(c2ccccn2)CCC[N@@H+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000852331337 637636981 /nfs/dbraw/zinc/63/69/81/637636981.db2.gz MHNVKYIIZJJWMC-VXIBKDFQSA-N 1 1 295.430 3.375 20 30 CGEDMO C=CCC1(O)CC[NH+]([C@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC000886766838 637681556 /nfs/dbraw/zinc/68/15/56/637681556.db2.gz SNXXWMBCHAFUMM-CYBMUJFWSA-N 1 1 292.423 3.436 20 30 CGEDMO C=C(Br)C[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000852595891 637685845 /nfs/dbraw/zinc/68/58/45/637685845.db2.gz JKCMUBYXKXVCMX-OLZOCXBDSA-N 1 1 288.229 3.176 20 30 CGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H](C3CCC3)C2)cc1 ZINC000852673777 637692731 /nfs/dbraw/zinc/69/27/31/637692731.db2.gz LRXZRWSCIHIGLS-QZTJIDSGSA-N 1 1 284.403 3.104 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)c1c(F)cccc1F ZINC000852686436 637695822 /nfs/dbraw/zinc/69/58/22/637695822.db2.gz VIFHYZKOZCVWRI-TYNCELHUSA-N 1 1 279.330 3.181 20 30 CGEDMO C#CCCC[N@H+]1Cc2ccc(C)c(Br)c2C1 ZINC000852720223 637701137 /nfs/dbraw/zinc/70/11/37/637701137.db2.gz ZKKFVTJOQXARBS-UHFFFAOYSA-N 1 1 278.193 3.487 20 30 CGEDMO C#CCCC[N@@H+]1Cc2ccc(C)c(Br)c2C1 ZINC000852720223 637701144 /nfs/dbraw/zinc/70/11/44/637701144.db2.gz ZKKFVTJOQXARBS-UHFFFAOYSA-N 1 1 278.193 3.487 20 30 CGEDMO C[N@H+](Cc1ccc(OCC#N)cc1)C[C@H]1CC1(C)C ZINC000852772869 637710407 /nfs/dbraw/zinc/71/04/07/637710407.db2.gz ROOZQGYFVFFUOA-CQSZACIVSA-N 1 1 258.365 3.067 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000853526054 637861979 /nfs/dbraw/zinc/86/19/79/637861979.db2.gz MGNAYSOCRXEBMP-ZDUSSCGKSA-N 1 1 281.359 3.066 20 30 CGEDMO CCCCCCCC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000855166471 638150832 /nfs/dbraw/zinc/15/08/32/638150832.db2.gz KAGNUCPGVWMNOZ-CQSZACIVSA-N 1 1 268.445 3.336 20 30 CGEDMO C=CC[C@H]1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000855436380 638197104 /nfs/dbraw/zinc/19/71/04/638197104.db2.gz ABPORNJELLIKKO-YOEHRIQHSA-N 1 1 296.430 3.014 20 30 CGEDMO CC(C)n1cc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)nn1 ZINC000924786670 638404653 /nfs/dbraw/zinc/40/46/53/638404653.db2.gz SNDALBAJOIFNDH-STQMWFEESA-N 1 1 283.379 3.142 20 30 CGEDMO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1ccc(F)c(CN(C)C)c1 ZINC000925075083 638447238 /nfs/dbraw/zinc/44/72/38/638447238.db2.gz OJNMDZLKECYXNX-ZDUSSCGKSA-N 1 1 291.414 3.305 20 30 CGEDMO CO[C@H](C)c1nc(C[NH2+][C@H](C)CC(C)(C)C#N)cs1 ZINC000925238083 638482482 /nfs/dbraw/zinc/48/24/82/638482482.db2.gz SANTWJCOUQPVJV-GHMZBOCLSA-N 1 1 281.425 3.268 20 30 CGEDMO C=CC[NH+](CC=C)[C@H](CNCc1ccnc(F)c1)C(C)C ZINC000858094331 638625933 /nfs/dbraw/zinc/62/59/33/638625933.db2.gz NWJKOJLQNPFQOM-MRXNPFEDSA-N 1 1 291.414 3.009 20 30 CGEDMO C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1cc(CO)on1 ZINC000926480118 638775128 /nfs/dbraw/zinc/77/51/28/638775128.db2.gz OPRXLQLBARPNDO-CZUORRHYSA-N 1 1 299.374 3.253 20 30 CGEDMO CCCc1ncc(C[NH2+][C@@H](CC)c2cccc(C#N)c2O)o1 ZINC000926536907 638782471 /nfs/dbraw/zinc/78/24/71/638782471.db2.gz IMMDQEBRNTYHFP-HNNXBMFYSA-N 1 1 299.374 3.445 20 30 CGEDMO Cc1cc([C@H]2CCC[N@H+]2CC2CCC(C#N)CC2)on1 ZINC000929288950 638915544 /nfs/dbraw/zinc/91/55/44/638915544.db2.gz SSYBIRABNRTFLM-YMAMQOFZSA-N 1 1 273.380 3.450 20 30 CGEDMO C[N@@H+](CCCCC1(C#N)CCC1)Cc1cccc(C(N)=O)c1 ZINC000929328323 638918831 /nfs/dbraw/zinc/91/88/31/638918831.db2.gz RICOQUDSSNKKSM-UHFFFAOYSA-N 1 1 299.418 3.081 20 30 CGEDMO N#CC[C@@H](O)C[N@@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000929341572 638919758 /nfs/dbraw/zinc/91/97/58/638919758.db2.gz QXOMJUPLPPSOOR-GOSISDBHSA-N 1 1 280.371 3.079 20 30 CGEDMO N#CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000929406532 638923951 /nfs/dbraw/zinc/92/39/51/638923951.db2.gz XHYGDTARBUVYQR-GOSISDBHSA-N 1 1 298.361 3.102 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+](C)[C@H](CO)c1ccccc1 ZINC000929506333 638929389 /nfs/dbraw/zinc/92/93/89/638929389.db2.gz ZAOLVZFZAOOTNZ-LJQANCHMSA-N 1 1 294.398 3.341 20 30 CGEDMO CCS[C@H]1CCCC[N@@H+](Cc2cncc(C#N)c2)C1 ZINC000929624610 638935391 /nfs/dbraw/zinc/93/53/91/638935391.db2.gz RTMTVDYXEKYBKP-HNNXBMFYSA-N 1 1 275.421 3.061 20 30 CGEDMO CCn1cc(C[N@@H+](C)Cc2c(C)cc(C#N)cc2C)cn1 ZINC000929646768 638937118 /nfs/dbraw/zinc/93/71/18/638937118.db2.gz VGYKZZQMLXHLPZ-UHFFFAOYSA-N 1 1 282.391 3.024 20 30 CGEDMO CC1(C)C[N@@H+](CC2CCC(C#N)CC2)C(C)(C)CO1 ZINC000929653079 638937506 /nfs/dbraw/zinc/93/75/06/638937506.db2.gz FCAVJWPOXNYUGB-UHFFFAOYSA-N 1 1 264.413 3.206 20 30 CGEDMO N#Cc1cncc(C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)c1 ZINC000929676375 638939951 /nfs/dbraw/zinc/93/99/51/638939951.db2.gz ORKAEQKLWJOFQM-HNNXBMFYSA-N 1 1 295.361 3.157 20 30 CGEDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cncc(C#N)c1 ZINC000929717861 638944382 /nfs/dbraw/zinc/94/43/82/638944382.db2.gz JWVUGHXEMCQPNI-DAXOMENPSA-N 1 1 255.365 3.106 20 30 CGEDMO C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)C[C@H](O)CC#N ZINC000929771255 638949143 /nfs/dbraw/zinc/94/91/43/638949143.db2.gz CKIVOLFERVDQSO-SLEUVZQESA-N 1 1 280.799 3.038 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000929781707 638951382 /nfs/dbraw/zinc/95/13/82/638951382.db2.gz VFXKLYJYPRYAED-QWHCGFSZSA-N 1 1 292.345 3.358 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000929781707 638951384 /nfs/dbraw/zinc/95/13/84/638951384.db2.gz VFXKLYJYPRYAED-QWHCGFSZSA-N 1 1 292.345 3.358 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000929827711 638954826 /nfs/dbraw/zinc/95/48/26/638954826.db2.gz VQPNNVIKYNODCU-FUHWJXTLSA-N 1 1 284.403 3.176 20 30 CGEDMO CC[N@H+](Cc1ccccn1)CC1CCC(C#N)CC1 ZINC000929826084 638954855 /nfs/dbraw/zinc/95/48/55/638954855.db2.gz SBQGONZXWMQEFD-UHFFFAOYSA-N 1 1 257.381 3.233 20 30 CGEDMO C[C@@H](C1CCCCC1)[N@@H+](C)Cc1cncc(C#N)c1 ZINC000930352073 638992327 /nfs/dbraw/zinc/99/23/27/638992327.db2.gz XOHTZZMCZKWFQA-ZDUSSCGKSA-N 1 1 257.381 3.354 20 30 CGEDMO N#CC1(CCCC[N@H+]2CC[C@]3(C2)CCCOC3)CCC1 ZINC000930378131 638994107 /nfs/dbraw/zinc/99/41/07/638994107.db2.gz YHIUUKWNFRZEFF-KRWDZBQOSA-N 1 1 276.424 3.353 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1C[C@H](N2CCCC2)C[C@@H]1C ZINC000930455890 639001551 /nfs/dbraw/zinc/00/15/51/639001551.db2.gz BRQZRRVJJOTGBT-FUHWJXTLSA-N 1 1 297.446 3.234 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@H](N2CCCC2)C[C@@H]1C ZINC000930455890 639001556 /nfs/dbraw/zinc/00/15/56/639001556.db2.gz BRQZRRVJJOTGBT-FUHWJXTLSA-N 1 1 297.446 3.234 20 30 CGEDMO CC(=O)c1ccc(C#N)cc1NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000858779571 639020619 /nfs/dbraw/zinc/02/06/19/639020619.db2.gz AREZVEQEBBBNNF-MRXNPFEDSA-N 1 1 297.402 3.190 20 30 CGEDMO C#CC[C@H](CCOC)Nc1cc(C(F)(F)F)cc(C)[nH+]1 ZINC000858858881 639031340 /nfs/dbraw/zinc/03/13/40/639031340.db2.gz UHROSQUQFPDULK-GFCCVEGCSA-N 1 1 286.297 3.249 20 30 CGEDMO CC(C)[C@]1(CO)CCC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000930584664 639031737 /nfs/dbraw/zinc/03/17/37/639031737.db2.gz OIMCCJCQRLDTIY-OFLPRAFFSA-N 1 1 278.440 3.047 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCO[C@@H](C3CCC3)C2)CCC1 ZINC000930713351 639058439 /nfs/dbraw/zinc/05/84/39/639058439.db2.gz VTPWSHXTFSASEY-MRXNPFEDSA-N 1 1 276.424 3.351 20 30 CGEDMO CC[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)[C@H](C)CO1 ZINC000930851904 639075642 /nfs/dbraw/zinc/07/56/42/639075642.db2.gz KQYMJTYUFUVHBQ-HUUCEWRRSA-N 1 1 264.413 3.350 20 30 CGEDMO N#CC1(CCCC[N@@H+]2CCCCC[C@H]2CO)CCC1 ZINC000930867885 639079630 /nfs/dbraw/zinc/07/96/30/639079630.db2.gz MZJSZAQREKVPEZ-HNNXBMFYSA-N 1 1 264.413 3.087 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@@H](C)c2snnc2C)C1 ZINC000930963760 639091798 /nfs/dbraw/zinc/09/17/98/639091798.db2.gz XOLLDWJDEHYUSX-RYUDHWBXSA-N 1 1 251.399 3.196 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000930971773 639093392 /nfs/dbraw/zinc/09/33/92/639093392.db2.gz UKLJXWMNEWNPOL-HDICACEKSA-N 1 1 284.403 3.034 20 30 CGEDMO C[N@@H+](CCCCC1(C#N)CCC1)[C@H]1CCC[C@@H]1C#N ZINC000931473869 639157413 /nfs/dbraw/zinc/15/74/13/639157413.db2.gz BXHORUBICIUMHI-CABCVRRESA-N 1 1 259.397 3.475 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000931474745 639157968 /nfs/dbraw/zinc/15/79/68/639157968.db2.gz IEGQJMPRRCLBRW-WBVHZDCISA-N 1 1 267.376 3.299 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000931474745 639157969 /nfs/dbraw/zinc/15/79/69/639157969.db2.gz IEGQJMPRRCLBRW-WBVHZDCISA-N 1 1 267.376 3.299 20 30 CGEDMO Cc1cccc([C@@H](O)C[N@@H+](C)CCc2cccc(C#N)c2)c1 ZINC000931507525 639161371 /nfs/dbraw/zinc/16/13/71/639161371.db2.gz BBBLCQKBXQKADV-IBGZPJMESA-N 1 1 294.398 3.075 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCc3nc[nH]c3C23CCC3)cc1C#N ZINC000931677202 639187634 /nfs/dbraw/zinc/18/76/34/639187634.db2.gz YYIPGHHMEWMSMC-UHFFFAOYSA-N 1 1 292.386 3.027 20 30 CGEDMO Cc1ccc(C[N@H+]2CCc3nc[nH]c3C23CCC3)cc1C#N ZINC000931677202 639187639 /nfs/dbraw/zinc/18/76/39/639187639.db2.gz YYIPGHHMEWMSMC-UHFFFAOYSA-N 1 1 292.386 3.027 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2c(C)cc(C#N)cc2C)C1 ZINC000931715513 639195403 /nfs/dbraw/zinc/19/54/03/639195403.db2.gz WNKDFFPCFPNWSK-HNNXBMFYSA-N 1 1 252.361 3.020 20 30 CGEDMO N#CCC1(C[N@@H+]2CCc3nc[nH]c3[C@@H]2c2ccccc2)CC1 ZINC000931802599 639208755 /nfs/dbraw/zinc/20/87/55/639208755.db2.gz QOKYJFRJVDCNFL-KRWDZBQOSA-N 1 1 292.386 3.051 20 30 CGEDMO N#CCC1(C[N@H+]2CCc3nc[nH]c3[C@@H]2c2ccccc2)CC1 ZINC000931802599 639208760 /nfs/dbraw/zinc/20/87/60/639208760.db2.gz QOKYJFRJVDCNFL-KRWDZBQOSA-N 1 1 292.386 3.051 20 30 CGEDMO N#Cc1cc(C[N@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)ccc1F ZINC000931933445 639237105 /nfs/dbraw/zinc/23/71/05/639237105.db2.gz PDDULRPLRNEHCD-MJGOQNOKSA-N 1 1 292.357 3.471 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCS[C@H](C(F)(F)F)C2)CC1 ZINC000932073643 639258417 /nfs/dbraw/zinc/25/84/17/639258417.db2.gz RDJFJDZHMMRQPZ-MCIGGMRASA-N 1 1 292.370 3.296 20 30 CGEDMO CC(C)(C)OC1CC([N@H+]2CCc3c(CC#N)cccc3C2)C1 ZINC000860109390 639283611 /nfs/dbraw/zinc/28/36/11/639283611.db2.gz RFELDVRLJHZMKL-UHFFFAOYSA-N 1 1 298.430 3.457 20 30 CGEDMO C#CC[N@H+](CCCc1nc(-c2cccs2)no1)C(C)C ZINC000932391979 639324478 /nfs/dbraw/zinc/32/44/78/639324478.db2.gz VEXDRLOEJPEHJP-UHFFFAOYSA-N 1 1 289.404 3.074 20 30 CGEDMO C#CC[N@H+](Cc1nc(-c2cccs2)no1)C(C)(C)C ZINC000932465233 639337158 /nfs/dbraw/zinc/33/71/58/639337158.db2.gz DDGAWYAXMBSVQI-UHFFFAOYSA-N 1 1 275.377 3.032 20 30 CGEDMO C#CC[N@@H+](Cc1nc(-c2cccs2)no1)C(C)(C)C ZINC000932465233 639337167 /nfs/dbraw/zinc/33/71/67/639337167.db2.gz DDGAWYAXMBSVQI-UHFFFAOYSA-N 1 1 275.377 3.032 20 30 CGEDMO C#CC[N@@H+](Cc1nc(-c2ccccc2C)no1)C(C)(C)C ZINC000932465265 639337280 /nfs/dbraw/zinc/33/72/80/639337280.db2.gz FCTVPTZGVSZKCR-UHFFFAOYSA-N 1 1 283.375 3.279 20 30 CGEDMO C#CC[N@H+](Cc1nc(-c2ccccc2C)no1)C(C)(C)C ZINC000932465265 639337282 /nfs/dbraw/zinc/33/72/82/639337282.db2.gz FCTVPTZGVSZKCR-UHFFFAOYSA-N 1 1 283.375 3.279 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1C[C@H](c2ccccc2)CC1(C)C ZINC000932906271 639398788 /nfs/dbraw/zinc/39/87/88/639398788.db2.gz VVFWFTGYNUYXJM-GOEBONIOSA-N 1 1 272.392 3.183 20 30 CGEDMO Cc1csc(C[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)n1 ZINC000933125273 639420262 /nfs/dbraw/zinc/42/02/62/639420262.db2.gz GAGYCERTMMLLPO-INIZCTEOSA-N 1 1 297.427 3.388 20 30 CGEDMO C#CC[N@@H+](CCC1OCCCO1)[C@H]1CCCc2ccccc21 ZINC000933419947 639448793 /nfs/dbraw/zinc/44/87/93/639448793.db2.gz DMCJWLNJVPIHHD-SFHVURJKSA-N 1 1 299.414 3.152 20 30 CGEDMO CC/C=C/CC[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933627702 639470750 /nfs/dbraw/zinc/47/07/50/639470750.db2.gz HPZDTFLRPVMGEV-IDOMTICXSA-N 1 1 270.376 3.288 20 30 CGEDMO CC/C=C/CC[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933627702 639470754 /nfs/dbraw/zinc/47/07/54/639470754.db2.gz HPZDTFLRPVMGEV-IDOMTICXSA-N 1 1 270.376 3.288 20 30 CGEDMO CC(C)(C#N)CCC[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933626340 639471021 /nfs/dbraw/zinc/47/10/21/639471021.db2.gz CPRHNWRNNTUUDL-KRWDZBQOSA-N 1 1 297.402 3.262 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933626340 639471029 /nfs/dbraw/zinc/47/10/29/639471029.db2.gz CPRHNWRNNTUUDL-KRWDZBQOSA-N 1 1 297.402 3.262 20 30 CGEDMO O=C1C=COC2(CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000933647704 639474423 /nfs/dbraw/zinc/47/44/23/639474423.db2.gz KSQJMYQPZRJFAK-UHFFFAOYSA-N 1 1 291.778 3.178 20 30 CGEDMO C[N@@H+](CCCOCC(F)(F)F)Cc1cc(C#N)cs1 ZINC000933777267 639488778 /nfs/dbraw/zinc/48/87/78/639488778.db2.gz ISXOSYULFPDNHA-UHFFFAOYSA-N 1 1 292.326 3.021 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1cccnc1C(F)(F)F ZINC000934458889 639611818 /nfs/dbraw/zinc/61/18/18/639611818.db2.gz FGCUBCBTQARJJJ-NSHDSACASA-N 1 1 256.271 3.251 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1cccnc1C(F)(F)F ZINC000934458889 639611824 /nfs/dbraw/zinc/61/18/24/639611824.db2.gz FGCUBCBTQARJJJ-NSHDSACASA-N 1 1 256.271 3.251 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1ccc(Cl)cc1-n1cncn1 ZINC000934465590 639613911 /nfs/dbraw/zinc/61/39/11/639613911.db2.gz VVVPMRLZDFHQGA-AWEZNQCLSA-N 1 1 288.782 3.071 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1CC(=O)c1c[nH]c2ccccc12 ZINC000934465920 639614104 /nfs/dbraw/zinc/61/41/04/639614104.db2.gz HLWFJQGBAJWIPB-GFCCVEGCSA-N 1 1 254.333 3.001 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1CC(=O)c1c[nH]c2ccccc12 ZINC000934465920 639614110 /nfs/dbraw/zinc/61/41/10/639614110.db2.gz HLWFJQGBAJWIPB-GFCCVEGCSA-N 1 1 254.333 3.001 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1csc(-c2ccccn2)n1 ZINC000934472090 639616148 /nfs/dbraw/zinc/61/61/48/639616148.db2.gz YODGEJHJFFVNEA-ZDUSSCGKSA-N 1 1 271.389 3.356 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1csc(-c2ccccn2)n1 ZINC000934472090 639616153 /nfs/dbraw/zinc/61/61/53/639616153.db2.gz YODGEJHJFFVNEA-ZDUSSCGKSA-N 1 1 271.389 3.356 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000934645041 639648753 /nfs/dbraw/zinc/64/87/53/639648753.db2.gz MMODDYAIKOELPF-UHFFFAOYSA-N 1 1 288.351 3.259 20 30 CGEDMO C[C@]12CSC[C@H]1C[N@@H+](CC1CCC(C#N)CC1)C2 ZINC000934769367 639674136 /nfs/dbraw/zinc/67/41/36/639674136.db2.gz NEAXJEYUSSSZJG-CVSAEHQPSA-N 1 1 264.438 3.001 20 30 CGEDMO C#CCCCCC[N@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000934829813 639681631 /nfs/dbraw/zinc/68/16/31/639681631.db2.gz BVLPAGFXKRPLTP-DLBZAZTESA-N 1 1 263.425 3.319 20 30 CGEDMO C=C(Br)C[N@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000934837141 639686507 /nfs/dbraw/zinc/68/65/07/639686507.db2.gz RONSZWHQIVCKKC-CHWSQXEVSA-N 1 1 288.229 3.034 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000934839260 639688644 /nfs/dbraw/zinc/68/86/44/639688644.db2.gz VZXZDRXBXITGSW-OALUTQOASA-N 1 1 283.415 3.177 20 30 CGEDMO C=C(C)c1cccc(NC(=O)NC[C@@H]2CC[N@H+](CC)C2)c1 ZINC000934874042 639693489 /nfs/dbraw/zinc/69/34/89/639693489.db2.gz JNLCUCDPJMASSU-AWEZNQCLSA-N 1 1 287.407 3.183 20 30 CGEDMO C#CC[N@@H+](Cc1csc(CCC)n1)C1CCCC1 ZINC000155733648 639947487 /nfs/dbraw/zinc/94/74/87/639947487.db2.gz XWAADFPADBCFOD-UHFFFAOYSA-N 1 1 262.422 3.473 20 30 CGEDMO C#CC[N@H+](Cc1csc(CCC)n1)C1CCCC1 ZINC000155733648 639947491 /nfs/dbraw/zinc/94/74/91/639947491.db2.gz XWAADFPADBCFOD-UHFFFAOYSA-N 1 1 262.422 3.473 20 30 CGEDMO CCC[N@@H+](CCCOc1ccc(C#N)cc1)CC1CC1 ZINC000048331356 640049506 /nfs/dbraw/zinc/04/95/06/640049506.db2.gz JNEIPKZGZHXLMN-UHFFFAOYSA-N 1 1 272.392 3.449 20 30 CGEDMO C=C(C)C[N@@H+](CC)C[C@@H](O)c1cccc(Cl)c1 ZINC000075617676 640147349 /nfs/dbraw/zinc/14/73/49/640147349.db2.gz WKIUEAYQBOMCLX-CQSZACIVSA-N 1 1 253.773 3.271 20 30 CGEDMO C#CC[N@H+](CCOCC(F)(F)F)[C@H]1CCc2ccccc21 ZINC000194308584 640525525 /nfs/dbraw/zinc/52/55/25/640525525.db2.gz LPDCIRJGBSSTDO-HNNXBMFYSA-N 1 1 297.320 3.188 20 30 CGEDMO C[C@@H]1CC[C@@H](C)[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000088704527 640621088 /nfs/dbraw/zinc/62/10/88/640621088.db2.gz WGHQWSLUOVBVMP-HUUCEWRRSA-N 1 1 272.392 3.448 20 30 CGEDMO CCC[C@]1(C)CCC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000246110068 640657862 /nfs/dbraw/zinc/65/78/62/640657862.db2.gz XIZNJBLAFRGTCW-QZTJIDSGSA-N 1 1 286.419 3.494 20 30 CGEDMO CC(C)CC[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000246914248 640698544 /nfs/dbraw/zinc/69/85/44/640698544.db2.gz MSFBWTBWVQEPLW-ZWKOTPCHSA-N 1 1 286.419 3.492 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2c(C)coc2C)C1 ZINC001007255351 640725218 /nfs/dbraw/zinc/72/52/18/640725218.db2.gz MJXAUBKLLZMBJT-OAHLLOKOSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000247565679 640728250 /nfs/dbraw/zinc/72/82/50/640728250.db2.gz RZSKVBPMNBZKEO-FZCLSBEQSA-N 1 1 289.419 3.164 20 30 CGEDMO CC#CCC[N@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000248388247 640754094 /nfs/dbraw/zinc/75/40/94/640754094.db2.gz DHZQUFWZVASCCL-BFYDXBDKSA-N 1 1 257.377 3.250 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C2CCCC2)C1 ZINC001007511606 640942315 /nfs/dbraw/zinc/94/23/15/640942315.db2.gz DKKRWEICPIANKO-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001007622211 640944179 /nfs/dbraw/zinc/94/41/79/640944179.db2.gz TVXGUPLIEWZSJR-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC001008278284 640949282 /nfs/dbraw/zinc/94/92/82/640949282.db2.gz CFOPXFUWXASIKB-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)cc2C)C1 ZINC001008399718 640950261 /nfs/dbraw/zinc/95/02/61/640950261.db2.gz NCFYDOQAWPCKTR-CQSZACIVSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2cccc(Cl)c2)C1 ZINC001009310557 640957728 /nfs/dbraw/zinc/95/77/28/640957728.db2.gz XZSGVGNHQRETGD-HNNXBMFYSA-N 1 1 292.810 3.110 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C2(C)CCC(C)CC2)C1 ZINC001009693791 640961297 /nfs/dbraw/zinc/96/12/97/640961297.db2.gz XAHUWBHPDCLBOH-PQUAAJSLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C(C)C)C1 ZINC001014650221 640975891 /nfs/dbraw/zinc/97/58/91/640975891.db2.gz VGLDPBCEAQIANL-HNNXBMFYSA-N 1 1 286.419 3.190 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)c2ccc(C3CCCC3)cc2)C1 ZINC001015307189 640978906 /nfs/dbraw/zinc/97/89/06/640978906.db2.gz OFAIVEKOAYLNLZ-SFHVURJKSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cccc(C)c2Cl)C1 ZINC001015870387 640987039 /nfs/dbraw/zinc/98/70/39/640987039.db2.gz FSSWRPJUJANEPU-CYBMUJFWSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C(C)(C)C)s2)C1 ZINC001016313032 640993913 /nfs/dbraw/zinc/99/39/13/640993913.db2.gz FCYXGECRTUHOHD-GFCCVEGCSA-N 1 1 292.448 3.036 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(C)(C)C)s2)C1 ZINC001016313032 640993915 /nfs/dbraw/zinc/99/39/15/640993915.db2.gz FCYXGECRTUHOHD-GFCCVEGCSA-N 1 1 292.448 3.036 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cc(C)c(C)s2)C1 ZINC001016212216 640994273 /nfs/dbraw/zinc/99/42/73/640994273.db2.gz UAQFWLWKFASOBA-AWEZNQCLSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCCCCC1 ZINC001017409313 641012329 /nfs/dbraw/zinc/01/23/29/641012329.db2.gz WQCSDKJQIJLVTM-CALCHBBNSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC(C)(C)C1 ZINC001017912767 641018583 /nfs/dbraw/zinc/01/85/83/641018583.db2.gz FQDBUHAYKNHTFU-OAGGEKHMSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC(C)(C)C1 ZINC001018315500 641022659 /nfs/dbraw/zinc/02/26/59/641022659.db2.gz DQAWFHNQHFMRJB-HRCADAONSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC(C)(C)C1 ZINC001018315500 641022664 /nfs/dbraw/zinc/02/26/64/641022664.db2.gz DQAWFHNQHFMRJB-HRCADAONSA-N 1 1 290.451 3.064 20 30 CGEDMO COCC[C@H]([NH2+]CC#Cc1ccccc1)c1ccc(C)o1 ZINC000276911290 641029297 /nfs/dbraw/zinc/02/92/97/641029297.db2.gz FRPKKCSJFZBPED-KRWDZBQOSA-N 1 1 283.371 3.307 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)CCCC(F)(F)F ZINC001155418433 805580302 /nfs/dbraw/zinc/58/03/02/805580302.db2.gz JACKYJLLODKWLT-GFCCVEGCSA-N 1 1 294.361 3.122 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](CCC)C(C)C ZINC001155547142 805589881 /nfs/dbraw/zinc/58/98/81/805589881.db2.gz OGEOUAAWZWIRMP-CVEARBPZSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)C(C)C ZINC001155571238 805593980 /nfs/dbraw/zinc/59/39/80/805593980.db2.gz APCYPYZKKRCXOM-CABCVRRESA-N 1 1 268.445 3.071 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)CC1CCCCC1 ZINC001155601145 805597364 /nfs/dbraw/zinc/59/73/64/805597364.db2.gz HNURXJVGLJRQMZ-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CCNc1ccc([C@H]2CCCC[N@@H+]2CCC)cn1 ZINC001155655530 805600470 /nfs/dbraw/zinc/60/04/70/805600470.db2.gz IPJDHEPKLDKQSA-OAHLLOKOSA-N 1 1 257.381 3.064 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)CCCCCC ZINC001155924894 805626465 /nfs/dbraw/zinc/62/64/65/805626465.db2.gz WZFCQEWUCQRRBO-JKSUJKDBSA-N 1 1 280.456 3.053 20 30 CGEDMO C=CC[C@@H]1N(C(=O)CC[N@H+]2CC[C@@H](F)C2)CCCC1(C)C ZINC001156190831 805663962 /nfs/dbraw/zinc/66/39/62/805663962.db2.gz NHZSIMNVCFCULS-CABCVRRESA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)CC(C)C ZINC001156311035 805674435 /nfs/dbraw/zinc/67/44/35/805674435.db2.gz RTCPHMWHJRWIOO-JKSUJKDBSA-N 1 1 282.472 3.461 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)CC(C)C ZINC001156311034 805674785 /nfs/dbraw/zinc/67/47/85/805674785.db2.gz RTCPHMWHJRWIOO-HZPDHXFCSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CC[N@H+](C)Cc1cccc(OC)c1OCC1CC1 ZINC001250530330 805678564 /nfs/dbraw/zinc/67/85/64/805678564.db2.gz JVMGQDPNBIMTCN-UHFFFAOYSA-N 1 1 261.365 3.102 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)C[C@H](CC)C(C)C ZINC001156465952 805699439 /nfs/dbraw/zinc/69/94/39/805699439.db2.gz IPNNUPRXAXZOJL-CVEARBPZSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1ccccc1Cl ZINC001156548863 805713870 /nfs/dbraw/zinc/71/38/70/805713870.db2.gz MOCUUKMWPFNUPS-CYBMUJFWSA-N 1 1 294.826 3.356 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1ccc(C)cc1 ZINC001156566738 805714656 /nfs/dbraw/zinc/71/46/56/805714656.db2.gz KSQKJZHUXJNNAK-OAHLLOKOSA-N 1 1 274.408 3.011 20 30 CGEDMO C=C(C)C(=O)NCCCNc1cc(C)c2ccccc2[nH+]1 ZINC001156821133 805738357 /nfs/dbraw/zinc/73/83/57/805738357.db2.gz MFDZJLQANKVGDZ-UHFFFAOYSA-N 1 1 283.375 3.038 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCCNc1ccc2c(C#N)c[nH]c2n1 ZINC001156928242 805754222 /nfs/dbraw/zinc/75/42/22/805754222.db2.gz JKSXSXWCGPBCBP-CYBMUJFWSA-N 1 1 297.406 3.111 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)CC(C)(C)C ZINC001157047552 805769552 /nfs/dbraw/zinc/76/95/52/805769552.db2.gz XEMKQYLYEXWGQR-OAHLLOKOSA-N 1 1 294.483 3.299 20 30 CGEDMO C[NH+](C)Cc1ccc2nc(-c3cc(F)cc(C#N)c3)[nH]c2c1 ZINC001250818722 805782137 /nfs/dbraw/zinc/78/21/37/805782137.db2.gz CBUBMOIOQIZIIE-UHFFFAOYSA-N 1 1 294.333 3.302 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](CCCC)C(C)C ZINC001157159394 805785673 /nfs/dbraw/zinc/78/56/73/805785673.db2.gz ZYVKSNWGPLFQRL-HZPDHXFCSA-N 1 1 282.472 3.461 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)C1CC1 ZINC001157154123 805786230 /nfs/dbraw/zinc/78/62/30/805786230.db2.gz XWEHHVJXQUMSHN-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](CCC)CC(C)C ZINC001157190502 805788507 /nfs/dbraw/zinc/78/85/07/805788507.db2.gz NQIAVOIPKJBVBD-SJORKVTESA-N 1 1 294.483 3.299 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1ccoc1C(C)C ZINC001157241321 805793914 /nfs/dbraw/zinc/79/39/14/805793914.db2.gz HNJBLYRQNYXGPP-CYBMUJFWSA-N 1 1 278.396 3.029 20 30 CGEDMO CCCCCCC[N@@H+](C)C[C@H](O)COc1ccccc1 ZINC001251185588 805861143 /nfs/dbraw/zinc/86/11/43/805861143.db2.gz URFXZZMIWMVKSX-INIZCTEOSA-N 1 1 279.424 3.329 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)C1CC1 ZINC001157761930 805865450 /nfs/dbraw/zinc/86/54/50/805865450.db2.gz IKRTWPLYPKLAGL-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCN(c1nc(N2CCCC2)cc[nH+]1)C1CCCCC1 ZINC001157847501 805887719 /nfs/dbraw/zinc/88/77/19/805887719.db2.gz ARHAARFNQHHMMO-UHFFFAOYSA-N 1 1 286.423 3.402 20 30 CGEDMO Cc1ccc([C@H](C)Nc2[nH+]c(C)ccc2CC#N)nc1 ZINC001158023254 805918265 /nfs/dbraw/zinc/91/82/65/805918265.db2.gz YOLIVUUBQYMGFI-ZDUSSCGKSA-N 1 1 266.348 3.333 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H](C=C)CC ZINC001158377909 805948822 /nfs/dbraw/zinc/94/88/22/805948822.db2.gz RZYFMLGZRHVOIL-DLBZAZTESA-N 1 1 292.467 3.478 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCOC(C)(C)C1 ZINC001252121231 806007023 /nfs/dbraw/zinc/00/70/23/806007023.db2.gz DYOFBWDOYJFQGX-OAHLLOKOSA-N 1 1 271.445 3.209 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@](C)(O)CC1 ZINC001252121996 806009279 /nfs/dbraw/zinc/00/92/79/806009279.db2.gz NWPBLMHSPTWGGP-IRXDYDNUSA-N 1 1 285.472 3.335 20 30 CGEDMO C#Cc1cc(NC[C@@H](O)CCCCCCCC)cc[nH+]1 ZINC001252122583 806009546 /nfs/dbraw/zinc/00/95/46/806009546.db2.gz XQPDVDWFBBLQQY-KRWDZBQOSA-N 1 1 274.408 3.008 20 30 CGEDMO Cc1ccc(CC#N)c(N[C@@H]2C[C@H]2c2ccccc2)[nH+]1 ZINC001158840557 806012057 /nfs/dbraw/zinc/01/20/57/806012057.db2.gz VKZSKADQZVLGQF-JKSUJKDBSA-N 1 1 263.344 3.424 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+]1CC[C@@H](O)[C@@H](C)CC1 ZINC001252124602 806013242 /nfs/dbraw/zinc/01/32/42/806013242.db2.gz SDNAWLWKBHPKLR-YESZJQIVSA-N 1 1 285.472 3.191 20 30 CGEDMO CCCCCCCC[C@@H](O)CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC001252129999 806014806 /nfs/dbraw/zinc/01/48/06/806014806.db2.gz IMHCWVJPKYFHRP-QZTJIDSGSA-N 1 1 296.499 3.268 20 30 CGEDMO CCCCCCCC[C@H](O)C[NH2+]C(C)(C)CCN(C)C ZINC001252133085 806017360 /nfs/dbraw/zinc/01/73/60/806017360.db2.gz FTVIINRAXQXGAA-INIZCTEOSA-N 1 1 286.504 3.418 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+](C)[C@H]1CCCOC1 ZINC001252132279 806017999 /nfs/dbraw/zinc/01/79/99/806017999.db2.gz DLNMKRWXVGYDHB-HOTGVXAUSA-N 1 1 271.445 3.209 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C ZINC001252134261 806020963 /nfs/dbraw/zinc/02/09/63/806020963.db2.gz WJBZWQHFQHEEJQ-FGTMMUONSA-N 1 1 296.499 3.266 20 30 CGEDMO CCCCCCCC[C@@H](O)CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001252134261 806020973 /nfs/dbraw/zinc/02/09/73/806020973.db2.gz WJBZWQHFQHEEJQ-FGTMMUONSA-N 1 1 296.499 3.266 20 30 CGEDMO CCCCCCCC[C@@H](O)CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001252134261 806020983 /nfs/dbraw/zinc/02/09/83/806020983.db2.gz WJBZWQHFQHEEJQ-FGTMMUONSA-N 1 1 296.499 3.266 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1CCC[C@@H]1c1c(F)cccc1F ZINC001252557733 806063159 /nfs/dbraw/zinc/06/31/59/806063159.db2.gz KHHJBWLTQZMDKW-HIFRSBDPSA-N 1 1 267.319 3.039 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+]1CCC[C@H]1c1cc2ccccc2[nH]1 ZINC001252555312 806063316 /nfs/dbraw/zinc/06/33/16/806063316.db2.gz RTDNRUNJOCXKOJ-DLBZAZTESA-N 1 1 270.376 3.242 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC001252555487 806063672 /nfs/dbraw/zinc/06/36/72/806063672.db2.gz WCGIFXNVNUGXMM-GJZGRUSLSA-N 1 1 265.784 3.414 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC001252559601 806065454 /nfs/dbraw/zinc/06/54/54/806065454.db2.gz ZSJSOIMVDQOAHB-GJZGRUSLSA-N 1 1 265.784 3.414 20 30 CGEDMO C=C[C@](C)(O)C[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC001252559941 806066229 /nfs/dbraw/zinc/06/62/29/806066229.db2.gz MIPXEVNERXAWEU-ZDUSSCGKSA-N 1 1 273.298 3.074 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001252558793 806066253 /nfs/dbraw/zinc/06/62/53/806066253.db2.gz JCISWUCSGAOQFK-UKRRQHHQSA-N 1 1 265.784 3.066 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1CCC[C@]2(CCc3c2cccc3F)C1 ZINC001252560040 806066956 /nfs/dbraw/zinc/06/69/56/806066956.db2.gz FIVLHXSOWBYVBL-ROUUACIJSA-N 1 1 289.394 3.043 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001252980403 806145431 /nfs/dbraw/zinc/14/54/31/806145431.db2.gz TXEKATHMMNWHCH-KSZLIROESA-N 1 1 297.483 3.456 20 30 CGEDMO CCCCCCCCCC[C@H](O)CN1CC2(C1)C[NH+](C)C2 ZINC001252983726 806146814 /nfs/dbraw/zinc/14/68/14/806146814.db2.gz YVDQTASPKNQLJD-KRWDZBQOSA-N 1 1 296.499 3.126 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)CCC2CCC2)CC1 ZINC001159717373 806160704 /nfs/dbraw/zinc/16/07/04/806160704.db2.gz JSHACFBSGNKYDW-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CCCC[C@@H]1C(C)=O ZINC001253238048 806188572 /nfs/dbraw/zinc/18/85/72/806188572.db2.gz AVBCNFDNPWTWFQ-DLBZAZTESA-N 1 1 281.440 3.317 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)C(F)=C2CCCC2)CC1 ZINC001159843874 806185820 /nfs/dbraw/zinc/18/58/20/806185820.db2.gz SMIFTCYSUGOAJH-UHFFFAOYSA-N 1 1 292.398 3.108 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@](C)(O)CC1 ZINC001253228765 806185928 /nfs/dbraw/zinc/18/59/28/806185928.db2.gz XHTGMDRWRBTUEV-IAGOWNOFSA-N 1 1 283.456 3.111 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](C[C@H](O)CCCCCCC=C)C1 ZINC001253241000 806192429 /nfs/dbraw/zinc/19/24/29/806192429.db2.gz QNWMGERXFZLXDM-IAGOWNOFSA-N 1 1 263.425 3.219 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@H](OC)C[C@@H]1C ZINC001253241765 806192822 /nfs/dbraw/zinc/19/28/22/806192822.db2.gz DABRAVVDNPUZHM-ULQDDVLXSA-N 1 1 283.456 3.373 20 30 CGEDMO CCCCCCCC[N@@H+](C)C[C@@H](O)COC(C)(C)C ZINC001253452145 806221086 /nfs/dbraw/zinc/22/10/86/806221086.db2.gz HRXVVVVSPSWSRC-OAHLLOKOSA-N 1 1 273.461 3.455 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)C[C@H]2CCC[C@H]2C)CC1 ZINC001160221640 806238567 /nfs/dbraw/zinc/23/85/67/806238567.db2.gz ICZZQSFRXHZOIW-NVXWUHKLSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CCC(=O)NCCC1=CC[N@@H+](CC[C@@H](C)F)CC1 ZINC001160264101 806245422 /nfs/dbraw/zinc/24/54/22/806245422.db2.gz DDYQPQYHTPBJKC-OAHLLOKOSA-N 1 1 296.430 3.229 20 30 CGEDMO C=C[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1SC ZINC001253586016 806265666 /nfs/dbraw/zinc/26/56/66/806265666.db2.gz IEVWPOPRIYYAQH-OCCSQVGLSA-N 1 1 263.406 3.092 20 30 CGEDMO CC(C)[C@H](O)C[N@@H+](CCC#N)C1CCCCCCC1 ZINC001253763388 806301196 /nfs/dbraw/zinc/30/11/96/806301196.db2.gz YBIZSIUFRSMRBI-MRXNPFEDSA-N 1 1 266.429 3.332 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC2(C)C)CC1 ZINC001160927140 806323769 /nfs/dbraw/zinc/32/37/69/806323769.db2.gz AQJSXNIMWJORGL-INIZCTEOSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H](F)C(C)C)CC1 ZINC001160946514 806325878 /nfs/dbraw/zinc/32/58/78/806325878.db2.gz IDRFIRNWZFVLOQ-MRXNPFEDSA-N 1 1 296.430 3.085 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1nc2[nH]ccc2cc1Cl ZINC001160953446 806328622 /nfs/dbraw/zinc/32/86/22/806328622.db2.gz BAASYFJRLCMLPA-LBPRGKRZSA-N 1 1 290.798 3.230 20 30 CGEDMO C[N@H+]1CCC[C@@H]1CCNc1nccc2ccc(C#N)cc21 ZINC001160964293 806331012 /nfs/dbraw/zinc/33/10/12/806331012.db2.gz LCOFZONXJCCZNO-OAHLLOKOSA-N 1 1 280.375 3.003 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)C2(C)CCCCC2)CC1 ZINC001161090498 806347314 /nfs/dbraw/zinc/34/73/14/806347314.db2.gz VMNQUBHWYCWAMH-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)[C@@]2(C)CCC[C@@H]2C)CC1 ZINC001161126059 806352580 /nfs/dbraw/zinc/35/25/80/806352580.db2.gz NQLMQUJMCHWJBG-YJBOKZPZSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCN(C(=O)[C@@H]([NH3+])c1ccsc1)C1CCCCC1 ZINC001161247952 806360660 /nfs/dbraw/zinc/36/06/60/806360660.db2.gz NMRSCSAIOLJERR-AWEZNQCLSA-N 1 1 278.421 3.095 20 30 CGEDMO CCC[N@H+](CCC#N)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254562860 806451222 /nfs/dbraw/zinc/45/12/22/806451222.db2.gz PWXAYYQLPBASTH-ZDUSSCGKSA-N 1 1 275.352 3.151 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254562860 806451228 /nfs/dbraw/zinc/45/12/28/806451228.db2.gz PWXAYYQLPBASTH-ZDUSSCGKSA-N 1 1 275.352 3.151 20 30 CGEDMO CCC[N@H+](CCC#N)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254562859 806451411 /nfs/dbraw/zinc/45/14/11/806451411.db2.gz PWXAYYQLPBASTH-CYBMUJFWSA-N 1 1 275.352 3.151 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254562859 806451416 /nfs/dbraw/zinc/45/14/16/806451416.db2.gz PWXAYYQLPBASTH-CYBMUJFWSA-N 1 1 275.352 3.151 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)C[C@@H](C)C(C)(C)C)CC1 ZINC001161771139 806451483 /nfs/dbraw/zinc/45/14/83/806451483.db2.gz IEFWUFRBKKMHEJ-OAHLLOKOSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](CCOc2ccc3ccccc3c2)C1 ZINC001254566281 806452864 /nfs/dbraw/zinc/45/28/64/806452864.db2.gz VMILSHDPJKDQLW-LJQANCHMSA-N 1 1 297.398 3.496 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](C2CCN(c3ccc(F)cc3)CC2)C1 ZINC001254630196 806464630 /nfs/dbraw/zinc/46/46/30/806464630.db2.gz OOVYEIQVHNUAOU-AWEZNQCLSA-N 1 1 287.382 3.030 20 30 CGEDMO COc1ccccc1C[C@H](C)[N@@H+](C)[C@H]1CC[C@H](C#N)C1 ZINC001254673655 806482778 /nfs/dbraw/zinc/48/27/78/806482778.db2.gz MVHKGHVSMQNOTN-DZKIICNBSA-N 1 1 272.392 3.250 20 30 CGEDMO COc1ccc(C2=CC[N@H+]([C@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC001254676993 806484480 /nfs/dbraw/zinc/48/44/80/806484480.db2.gz PJRWRSBVWMNTPK-YOEHRIQHSA-N 1 1 282.387 3.477 20 30 CGEDMO N#Cc1ccc(O[C@@H]2CCC[N@H+]([C@H]3CC[C@H](C#N)C3)C2)cc1 ZINC001254676836 806485440 /nfs/dbraw/zinc/48/54/40/806485440.db2.gz OGTRHBUQUYGLIM-XYJFISCASA-N 1 1 295.386 3.094 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254958025 806520340 /nfs/dbraw/zinc/52/03/40/806520340.db2.gz ZKUPHQCZZIGQEK-HOTGVXAUSA-N 1 1 269.388 3.432 20 30 CGEDMO CC[C@H](CC#N)[NH2+]CCN1CCC(Cc2ccccc2)CC1 ZINC001255152626 806554731 /nfs/dbraw/zinc/55/47/31/806554731.db2.gz ZHWRRFVGFPKDFU-LJQANCHMSA-N 1 1 299.462 3.223 20 30 CGEDMO CC[C@H](CC#N)NC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC001255163132 806561386 /nfs/dbraw/zinc/56/13/86/806561386.db2.gz CFIUBCXYLWBALL-NZSAHSFTSA-N 1 1 299.462 3.426 20 30 CGEDMO CC[C@@H](CC#N)[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC001255165172 806563157 /nfs/dbraw/zinc/56/31/57/806563157.db2.gz UYXWRDQMSHFCGY-HNNXBMFYSA-N 1 1 292.810 3.316 20 30 CGEDMO CC[C@H](CC#N)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001255176146 806571177 /nfs/dbraw/zinc/57/11/77/806571177.db2.gz XOBWZGYFJNBJIU-GOSISDBHSA-N 1 1 297.446 3.201 20 30 CGEDMO C=CCCCC[N@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OCC ZINC001255214088 806577519 /nfs/dbraw/zinc/57/75/19/806577519.db2.gz LVGSLIHDCOMQDW-ZSHCYNCHSA-N 1 1 294.439 3.426 20 30 CGEDMO N#CC1(N[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCCC1 ZINC001255394660 806632549 /nfs/dbraw/zinc/63/25/49/806632549.db2.gz XACOQNRZUZEZDP-GOSISDBHSA-N 1 1 297.446 3.467 20 30 CGEDMO CC[C@@](C)(C#N)N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255393791 806633418 /nfs/dbraw/zinc/63/34/18/806633418.db2.gz RAKWJJWDWRAJSZ-ROUUACIJSA-N 1 1 285.435 3.323 20 30 CGEDMO C=C(Br)C[N@H+](C)[C@@H]1CC[C@H](SC)C1 ZINC000075920935 798923806 /nfs/dbraw/zinc/92/38/06/798923806.db2.gz ZINBDWYXSCTFHR-ZJUUUORDSA-N 1 1 264.232 3.111 20 30 CGEDMO C=CC[C@@](C)([NH2+][C@H]1CCC[C@H](C(F)(F)F)C1)C(=O)OC ZINC001255707506 806712780 /nfs/dbraw/zinc/71/27/80/806712780.db2.gz GMLZTEYLVMLMJL-GMXVVIOVSA-N 1 1 293.329 3.205 20 30 CGEDMO C[C@H](CSc1ccc(F)cc1)[N@@H+]1CC[C@H](C#N)C1 ZINC001255745769 806732531 /nfs/dbraw/zinc/73/25/31/806732531.db2.gz ZMCHTAFMPUPYLB-VXGBXAGGSA-N 1 1 264.369 3.152 20 30 CGEDMO C[C@H](CSc1ccc(F)cc1)[N@H+]1CC[C@H](C#N)C1 ZINC001255745769 806732535 /nfs/dbraw/zinc/73/25/35/806732535.db2.gz ZMCHTAFMPUPYLB-VXGBXAGGSA-N 1 1 264.369 3.152 20 30 CGEDMO CCCCCCC[C@H](C)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000385897581 799429238 /nfs/dbraw/zinc/42/92/38/799429238.db2.gz FLDNRGXBRVPKIG-ARFHVFGLSA-N 1 1 252.446 3.277 20 30 CGEDMO Cc1ccc(C[NH2+]Cc2csc(C3CC3)n2)cc1C#N ZINC000701853557 799896588 /nfs/dbraw/zinc/89/65/88/799896588.db2.gz ORJBPYIKIIFNHN-UHFFFAOYSA-N 1 1 283.400 3.490 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000710357805 800033911 /nfs/dbraw/zinc/03/39/11/800033911.db2.gz BWIGBGAMRGLQKB-GFCCVEGCSA-N 1 1 263.410 3.262 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCS[C@H](C(F)(F)F)C1 ZINC000721440791 800288618 /nfs/dbraw/zinc/28/86/18/800288618.db2.gz PNBBVNGVUIRVPZ-JTQLQIEISA-N 1 1 280.359 3.296 20 30 CGEDMO C[C@H]([NH2+]Cc1cncc(C#N)c1)c1ccccc1Cl ZINC000721562741 800294656 /nfs/dbraw/zinc/29/46/56/800294656.db2.gz XHTYRWOBNGTFPX-NSHDSACASA-N 1 1 271.751 3.457 20 30 CGEDMO C[C@@H](CNc1nc(Cl)c(C#N)s1)[N@H+]1CCCC[C@@H]1C ZINC000804349126 800397257 /nfs/dbraw/zinc/39/72/57/800397257.db2.gz JAKMGOWLIXDUHA-UWVGGRQHSA-N 1 1 298.843 3.343 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)CC1(SC)CC1 ZINC000809555389 800446404 /nfs/dbraw/zinc/44/64/04/800446404.db2.gz HVIMAFXOYKRCLI-UHFFFAOYSA-N 1 1 263.381 3.157 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(C)(C)F)C1 ZINC001021500229 800702354 /nfs/dbraw/zinc/70/23/54/800702354.db2.gz UQFYVBSYSGAZQM-LSDHHAIUSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)c2cccs2)C1 ZINC001023211266 800708012 /nfs/dbraw/zinc/70/80/12/800708012.db2.gz PALJHTRYHLUTJE-CQSZACIVSA-N 1 1 292.448 3.156 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)C2C(C)(C)C2(C)C)C1 ZINC001023292609 800708082 /nfs/dbraw/zinc/70/80/82/800708082.db2.gz YRMXWFGLKYMTOH-CQSZACIVSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC=CCCC2)C1 ZINC001023442691 800709757 /nfs/dbraw/zinc/70/97/57/800709757.db2.gz BSNBDBCKVMVGPL-SJORKVTESA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)c1cccs1 ZINC001024316646 800725195 /nfs/dbraw/zinc/72/51/95/800725195.db2.gz VPCQNUOIMMRLRP-AWEZNQCLSA-N 1 1 292.448 3.299 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C1=CCCCCC1 ZINC001024410504 800725678 /nfs/dbraw/zinc/72/56/78/800725678.db2.gz GQLWMBXQKWHYNS-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC12CC2 ZINC001024503609 800729534 /nfs/dbraw/zinc/72/95/34/800729534.db2.gz ADTOQOJSRANJJK-HZPDHXFCSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1occc1C(C)C ZINC001024615475 800732150 /nfs/dbraw/zinc/73/21/50/800732150.db2.gz UGTZNDWNMOEIPB-CQSZACIVSA-N 1 1 290.407 3.173 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001024642087 800734144 /nfs/dbraw/zinc/73/41/44/800734144.db2.gz QCNPZDBPWMLLNC-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC12CCCC2 ZINC001024744607 800735452 /nfs/dbraw/zinc/73/54/52/800735452.db2.gz AIVZRXIOPKFWDE-HOTGVXAUSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1sccc1CC ZINC001024814596 800736968 /nfs/dbraw/zinc/73/69/68/800736968.db2.gz UFKZJPHXCPZCLK-CQSZACIVSA-N 1 1 292.448 3.081 20 30 CGEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)C12CCC(CC1)CC2 ZINC001024809434 800737759 /nfs/dbraw/zinc/73/77/59/800737759.db2.gz SSRXYWVRXZAQHB-PQUAAJSLSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)C ZINC001025204134 800747829 /nfs/dbraw/zinc/74/78/29/800747829.db2.gz MTMUOQBJORJGNH-CVEARBPZSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C=C(C)C ZINC001025196435 800748086 /nfs/dbraw/zinc/74/80/86/800748086.db2.gz VEOFFUCOAKNFKA-IAGOWNOFSA-N 1 1 290.451 3.374 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCCC[C@H]1[C@@H]1CCC[N@@H+]1CCC ZINC001025257634 800752069 /nfs/dbraw/zinc/75/20/69/800752069.db2.gz FHTGVKIHQWHCPX-HOTGVXAUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1(CC)CC1 ZINC001025266031 800752146 /nfs/dbraw/zinc/75/21/46/800752146.db2.gz ILWMIBMIEZSEAX-CVEARBPZSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1(C)CC1 ZINC001025234475 800752297 /nfs/dbraw/zinc/75/22/97/800752297.db2.gz IEZXZWLUTDRCJS-CVEARBPZSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CCCCC2)C1 ZINC001025315577 800755429 /nfs/dbraw/zinc/75/54/29/800755429.db2.gz BMNDDAGPOZVJDU-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2=CCCC2)C1 ZINC001025376731 800759184 /nfs/dbraw/zinc/75/91/84/800759184.db2.gz ZZCVRTOHDRBTHG-ZFWWWQNUSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1 ZINC001027293400 800790571 /nfs/dbraw/zinc/79/05/71/800790571.db2.gz CAOURBWPVUGHHP-GJZGRUSLSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1 ZINC001027293400 800790574 /nfs/dbraw/zinc/79/05/74/800790574.db2.gz CAOURBWPVUGHHP-GJZGRUSLSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001027411103 800794345 /nfs/dbraw/zinc/79/43/45/800794345.db2.gz MFYTWMPOEVNPBP-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C2(CC)CCC2)C1 ZINC001027534471 800802395 /nfs/dbraw/zinc/80/23/95/800802395.db2.gz ZDSWHFOHMAAODE-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1ccsc1C ZINC001027873764 800824554 /nfs/dbraw/zinc/82/45/54/800824554.db2.gz FLQNBGHPLZKWFC-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1CC ZINC001028100687 800831528 /nfs/dbraw/zinc/83/15/28/800831528.db2.gz HHFMBEUZBPQLQP-INIZCTEOSA-N 1 1 286.419 3.019 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)C1CCC(=C)CC1 ZINC001028117858 800832302 /nfs/dbraw/zinc/83/23/02/800832302.db2.gz ULUALYVCOAVXGB-QGZVFWFLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1C1(C)CC1 ZINC001028135442 800833573 /nfs/dbraw/zinc/83/35/73/800833573.db2.gz SBNVZWXAHZRPHJ-OAHLLOKOSA-N 1 1 298.430 3.118 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001028146508 800834474 /nfs/dbraw/zinc/83/44/74/800834474.db2.gz HUISXTOIEJMNSA-IXDOHACOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001028274387 800838868 /nfs/dbraw/zinc/83/88/68/800838868.db2.gz BNBVCARNRFKKIL-BRWVUGGUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C(C)C)s1 ZINC001028339729 800841575 /nfs/dbraw/zinc/84/15/75/800841575.db2.gz BFOKNZXOXODBTP-ZDUSSCGKSA-N 1 1 292.448 3.252 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCCC1(C)C ZINC001028340732 800844811 /nfs/dbraw/zinc/84/48/11/800844811.db2.gz WNWZFZRYFFEEML-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccoc1C(C)C ZINC001028341327 800845217 /nfs/dbraw/zinc/84/52/17/800845217.db2.gz IDXRJKKXBZSPLE-CQSZACIVSA-N 1 1 290.407 3.173 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)C2CCC(=C)CC2)C1 ZINC001028780880 800853228 /nfs/dbraw/zinc/85/32/28/800853228.db2.gz NSQYLGFTNVEKQU-MRXNPFEDSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001028788640 800854348 /nfs/dbraw/zinc/85/43/48/800854348.db2.gz NKNWDDHCKLPJJQ-HOTGVXAUSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CNC(=O)c2ccc(C3CC3)cc2)C1 ZINC001028996416 800858681 /nfs/dbraw/zinc/85/86/81/800858681.db2.gz AMCRJDOAEVQAPE-OAHLLOKOSA-N 1 1 298.430 3.192 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)CC ZINC001029453749 800869308 /nfs/dbraw/zinc/86/93/08/800869308.db2.gz KAHVVKCVMDRIGL-CUSZFKRNSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C2CCCCC2)C1 ZINC001032879974 800942226 /nfs/dbraw/zinc/94/22/26/800942226.db2.gz KXJWZLXVMPHXTJ-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)C2CCCCCC2)C1 ZINC001032953968 800945551 /nfs/dbraw/zinc/94/55/51/800945551.db2.gz SFEJDDYCJLAUOO-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2oc(C)cc2C)C1 ZINC001032983960 800947763 /nfs/dbraw/zinc/94/77/63/800947763.db2.gz WTXDKOLSBVWOLG-HNNXBMFYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2sccc2Cl)C1 ZINC001033096670 800952945 /nfs/dbraw/zinc/95/29/45/800952945.db2.gz BPOUVERENSBDHN-LLVKDONJSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3occc3c2)C1 ZINC001033103803 800953206 /nfs/dbraw/zinc/95/32/06/800953206.db2.gz OBZNHZNVLFYHEY-INIZCTEOSA-N 1 1 298.386 3.155 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C)ccc2C2CC2)C1 ZINC001033294742 800957456 /nfs/dbraw/zinc/95/74/56/800957456.db2.gz DBPQHORFGSRVEY-INIZCTEOSA-N 1 1 298.430 3.205 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC=CCC2)C1 ZINC001033329599 800959468 /nfs/dbraw/zinc/95/94/68/800959468.db2.gz RLYJTAMFMZDDLD-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C2(F)CCCCC2)C1 ZINC001033560371 800968309 /nfs/dbraw/zinc/96/83/09/800968309.db2.gz ZLDYVRXZEFZNIG-HNNXBMFYSA-N 1 1 296.430 3.158 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2Cl)C1 ZINC001033608854 800970092 /nfs/dbraw/zinc/97/00/92/800970092.db2.gz IGQZIFODYXSPQF-ZDUSSCGKSA-N 1 1 292.810 3.062 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3ccccc3o2)C1 ZINC001033639556 800971691 /nfs/dbraw/zinc/97/16/91/800971691.db2.gz INAUFYUGUUQWKF-HNNXBMFYSA-N 1 1 298.386 3.155 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)C23CCC(CC2)CC3)C1 ZINC001033675547 800973185 /nfs/dbraw/zinc/97/31/85/800973185.db2.gz IXQXAVMNPNUSJO-PQUAAJSLSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(C)s2)C1 ZINC001033734422 800978192 /nfs/dbraw/zinc/97/81/92/800978192.db2.gz PLECBDAJICZSJM-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC=CCC2)C1 ZINC001033754771 800982264 /nfs/dbraw/zinc/98/22/64/800982264.db2.gz ZKGPEHBPERRRIK-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC23CCC3)C1 ZINC001033973497 800992997 /nfs/dbraw/zinc/99/29/97/800992997.db2.gz ZHJDIDVHBLFLAV-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001034021021 800994644 /nfs/dbraw/zinc/99/46/44/800994644.db2.gz REVZEWRBYFWPAA-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)C2CCC=CCC2)C1 ZINC001034041546 800994799 /nfs/dbraw/zinc/99/47/99/800994799.db2.gz HGJXVXYLAAPPDY-KRWDZBQOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2oc(C)cc2C)C1 ZINC001034150626 801007374 /nfs/dbraw/zinc/00/73/74/801007374.db2.gz JJBGSSDNRYWDHR-OAHLLOKOSA-N 1 1 290.407 3.057 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)C2=CCCC2)C1 ZINC001034153652 801007397 /nfs/dbraw/zinc/00/73/97/801007397.db2.gz FYSZMGBNRHCIAH-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CCCC[N@H+](C(C)C)C2)CC1 ZINC001034383109 801022799 /nfs/dbraw/zinc/02/27/99/801022799.db2.gz VYVWHBRXGWWQOZ-MRXNPFEDSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@H+]1CCCC[C@H](NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001034541013 801031658 /nfs/dbraw/zinc/03/16/58/801031658.db2.gz LNBHXJYLADCABK-SFHVURJKSA-N 1 1 298.430 3.334 20 30 CGEDMO C=CCC[N@H+]1CCC2(C1)CCN(C(=O)c1ccccc1)CC2 ZINC001035149664 801052125 /nfs/dbraw/zinc/05/21/25/801052125.db2.gz GRWOSHAUSAODJT-UHFFFAOYSA-N 1 1 298.430 3.191 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3)CC[C@H]21 ZINC001036628012 801085375 /nfs/dbraw/zinc/08/53/75/801085375.db2.gz UJNNLGOIUAEDEA-QZTJIDSGSA-N 1 1 298.430 3.189 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C(F)=C(C)C)CC[C@H]21 ZINC001036684437 801087914 /nfs/dbraw/zinc/08/79/14/801087914.db2.gz HQVUNWUGAYNOOB-HUUCEWRRSA-N 1 1 294.414 3.139 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C(C)C)CC[C@@H]21 ZINC001036725055 801090068 /nfs/dbraw/zinc/09/00/68/801090068.db2.gz QOAQCIHMCKHKRL-CVEARBPZSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)C(C)C)CC[C@H]21 ZINC001036724378 801090173 /nfs/dbraw/zinc/09/01/73/801090173.db2.gz FYTBYEQUCALTKK-JKSUJKDBSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)C(=C)C)CC[C@@H]21 ZINC001036792356 801091990 /nfs/dbraw/zinc/09/19/90/801091990.db2.gz ODCZJNULRAHRMQ-HOTGVXAUSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)c1csc(C)c1C ZINC001038289417 801121947 /nfs/dbraw/zinc/12/19/47/801121947.db2.gz ZZOZKVQLEJQNIJ-CQSZACIVSA-N 1 1 292.448 3.135 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)cc(Cl)c1 ZINC001038513978 801126835 /nfs/dbraw/zinc/12/68/35/801126835.db2.gz GPTIEGAFKOAXMF-HNNXBMFYSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1cc(C)cc(Cl)c1 ZINC001038513978 801126839 /nfs/dbraw/zinc/12/68/39/801126839.db2.gz GPTIEGAFKOAXMF-HNNXBMFYSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1CC ZINC001038644872 801130379 /nfs/dbraw/zinc/13/03/79/801130379.db2.gz MPOTXBNXMVSSCY-MRXNPFEDSA-N 1 1 286.419 3.019 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1cccc(C(C)C)c1 ZINC001038880740 801134279 /nfs/dbraw/zinc/13/42/79/801134279.db2.gz JQLGHCSDYYWXBJ-KRWDZBQOSA-N 1 1 286.419 3.190 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccoc1CCC ZINC001038910765 801136547 /nfs/dbraw/zinc/13/65/47/801136547.db2.gz AWACFAGWSJRUDE-CQSZACIVSA-N 1 1 290.407 3.002 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CCC)CC2)C1 ZINC001039095973 801147321 /nfs/dbraw/zinc/14/73/21/801147321.db2.gz HBOSLTGJWSCWFN-QGZVFWFLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C)CC)CC2)C1 ZINC001039105338 801147811 /nfs/dbraw/zinc/14/78/11/801147811.db2.gz WBMYGSINJWQZMC-RDJZCZTQSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1CCC1 ZINC001039353131 801158938 /nfs/dbraw/zinc/15/89/38/801158938.db2.gz DTBFYNHJNSZUPB-SJORKVTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC1CC1 ZINC001039347305 801159060 /nfs/dbraw/zinc/15/90/60/801159060.db2.gz BBBKRCFGMWSGRA-SJORKVTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C ZINC001039461837 801162113 /nfs/dbraw/zinc/16/21/13/801162113.db2.gz LZYVGRLYTUXZDO-CABCVRRESA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H](C)CC ZINC001039820371 801166811 /nfs/dbraw/zinc/16/68/11/801166811.db2.gz FQMUHXWXXMSSEJ-HRCADAONSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)C(=C)C)C2)C1 ZINC001041535702 801189324 /nfs/dbraw/zinc/18/93/24/801189324.db2.gz JTRKTRALARRDOT-GOSISDBHSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)C3CCCCC3)C[C@@H]21 ZINC001041911932 801196393 /nfs/dbraw/zinc/19/63/93/801196393.db2.gz ZILYVMHXHFHIRI-RDJZCZTQSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)c3ccccc3C)C[C@H]21 ZINC001041916947 801196916 /nfs/dbraw/zinc/19/69/16/801196916.db2.gz PYVYKLPGZNRDSB-FUHWJXTLSA-N 1 1 298.430 3.108 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)CC(C)(C)C)C[C@@H]21 ZINC001041927040 801197476 /nfs/dbraw/zinc/19/74/76/801197476.db2.gz GUKUMBCATQXAII-KBPBESRZSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)CC(C)(C)C)C[C@@H]21 ZINC001041927040 801197480 /nfs/dbraw/zinc/19/74/80/801197480.db2.gz GUKUMBCATQXAII-KBPBESRZSA-N 1 1 298.858 3.098 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CCN(C(=O)CC3CCCC3)C[C@H]21 ZINC001041915399 801197551 /nfs/dbraw/zinc/19/75/51/801197551.db2.gz HCHJRUSWACACRI-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)CC3(C)CCCC3)C[C@@H]21 ZINC001042044627 801200644 /nfs/dbraw/zinc/20/06/44/801200644.db2.gz RFPXEQGCIPLONE-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](CC=C(C)C)[C@H]2C1 ZINC001042184817 801202213 /nfs/dbraw/zinc/20/22/13/801202213.db2.gz ZPZSJDODXQRVBA-HOTGVXAUSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@H+](CCCC)[C@@H]3C2)C1 ZINC001042224956 801203757 /nfs/dbraw/zinc/20/37/57/801203757.db2.gz TXCFMVVOKPPXPD-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)CC)C[C@@H]21 ZINC001042208550 801203886 /nfs/dbraw/zinc/20/38/86/801203886.db2.gz SAQAKLVNDWVMDP-KBPBESRZSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)CC)C[C@@H]21 ZINC001042208550 801203889 /nfs/dbraw/zinc/20/38/89/801203889.db2.gz SAQAKLVNDWVMDP-KBPBESRZSA-N 1 1 298.858 3.098 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C)CC)C2 ZINC001045919819 801294233 /nfs/dbraw/zinc/29/42/33/801294233.db2.gz VXICBZQEPDFQRX-FUHWJXTLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1(CC)CC1)C2 ZINC001045963202 801296710 /nfs/dbraw/zinc/29/67/10/801296710.db2.gz GSPZMCXREMZDKH-QGZVFWFLSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2csc(C)c2C)C1 ZINC001046345128 801309549 /nfs/dbraw/zinc/30/95/49/801309549.db2.gz SDRUPCNMWYDXKD-MRXNPFEDSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C3CCC3)cc2)C1 ZINC001046362383 801309985 /nfs/dbraw/zinc/30/99/85/801309985.db2.gz QLLSGICZZIETHQ-IBGZPJMESA-N 1 1 298.430 3.334 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2ccccc2Cl)C1 ZINC001046788327 801323542 /nfs/dbraw/zinc/32/35/42/801323542.db2.gz BVQCDTDAXYHDQJ-INIZCTEOSA-N 1 1 292.810 3.110 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccoc2CCC)C1 ZINC001046767553 801324631 /nfs/dbraw/zinc/32/46/31/801324631.db2.gz OCENVMIGOMPBKV-QGZVFWFLSA-N 1 1 290.407 3.002 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)c2sccc2CC)C1 ZINC001046852088 801328950 /nfs/dbraw/zinc/32/89/50/801328950.db2.gz LHGGANVQRITUDK-INIZCTEOSA-N 1 1 292.448 3.081 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001046861727 801330111 /nfs/dbraw/zinc/33/01/11/801330111.db2.gz WXNJEBRCNJRMOM-YJBOKZPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC1CCCC1 ZINC001049304584 801362618 /nfs/dbraw/zinc/36/26/18/801362618.db2.gz QCBRZDKTZNDSTP-SJORKVTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC1CCCC1 ZINC001049304581 801363273 /nfs/dbraw/zinc/36/32/73/801363273.db2.gz QCBRZDKTZNDSTP-DLBZAZTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC1CCCCC1 ZINC001049305817 801363353 /nfs/dbraw/zinc/36/33/53/801363353.db2.gz FUQGMAQNCLOQFE-IAGOWNOFSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)C(C)(C)C ZINC001049551202 801376266 /nfs/dbraw/zinc/37/62/66/801376266.db2.gz FSTKDRGUNRAYFL-HRCADAONSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H](F)CC ZINC001049643048 801379496 /nfs/dbraw/zinc/37/94/96/801379496.db2.gz CDWYHVCIAWVWAG-ZNMIVQPWSA-N 1 1 296.430 3.012 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CC(C)C)C1 ZINC001049701546 801387210 /nfs/dbraw/zinc/38/72/10/801387210.db2.gz FGDOARBRGLXSJZ-JKSUJKDBSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)C1CCCC1 ZINC001049834755 801388166 /nfs/dbraw/zinc/38/81/66/801388166.db2.gz DELJPWXPYPUAPL-USXIJHARSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[C@H](C)CC1 ZINC001049855784 801388265 /nfs/dbraw/zinc/38/82/65/801388265.db2.gz UJCLEAAYONRKON-LUKYLMHMSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2ccoc2C)CC1 ZINC001052186418 801425058 /nfs/dbraw/zinc/42/50/58/801425058.db2.gz IEHVLEQNPFPQOE-HNNXBMFYSA-N 1 1 290.407 3.139 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC=CCC2)CC1 ZINC001052196271 801426305 /nfs/dbraw/zinc/42/63/05/801426305.db2.gz WOBNHSWUDVDOSS-CABCVRRESA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)CC2=CCCCC2)CC1 ZINC001052257407 801429303 /nfs/dbraw/zinc/42/93/03/801429303.db2.gz LHUQPVBMNRPUGI-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C(F)=C2CCCC2)CC1 ZINC001052304164 801431087 /nfs/dbraw/zinc/43/10/87/801431087.db2.gz HOYMRBCFUCTLEK-OAHLLOKOSA-N 1 1 294.414 3.331 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C2CC2)CC1 ZINC001052638412 801443446 /nfs/dbraw/zinc/44/34/46/801443446.db2.gz YEDNAWXGEHXQAJ-CQSZACIVSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2cc(C)co2)CC1 ZINC001052643365 801445419 /nfs/dbraw/zinc/44/54/19/801445419.db2.gz ICGIJERXPWYQKJ-HNNXBMFYSA-N 1 1 290.407 3.139 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)C2CC2)CC1 ZINC001052642938 801445519 /nfs/dbraw/zinc/44/55/19/801445519.db2.gz DQGBIIVSYQSEDG-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC3CC3)CC2)CC1 ZINC001052682186 801447253 /nfs/dbraw/zinc/44/72/53/801447253.db2.gz QUJPGFKZKRPFQC-QGZVFWFLSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@]23C[C@H]2CCCC3)CC1 ZINC001052686905 801447621 /nfs/dbraw/zinc/44/76/21/801447621.db2.gz PIWYGIWBTBGQAM-SOLBZPMBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCCC2(C)C)CC1 ZINC001052963980 801457849 /nfs/dbraw/zinc/45/78/49/801457849.db2.gz DJVPWYIVGVQMLY-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(F)s2)CC1 ZINC001052968673 801460123 /nfs/dbraw/zinc/46/01/23/801460123.db2.gz ARPMDCLFJGTYSY-GFCCVEGCSA-N 1 1 296.411 3.048 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC001053053105 801463298 /nfs/dbraw/zinc/46/32/98/801463298.db2.gz YRVYQDWIPJLVIB-HOTGVXAUSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC(C)C)C2 ZINC001054075395 801469297 /nfs/dbraw/zinc/46/92/97/801469297.db2.gz IRHPKWNSPXKYLC-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccccc1)C2 ZINC001054075163 801470208 /nfs/dbraw/zinc/47/02/08/801470208.db2.gz DXJFPEASUJKLPT-IBGZPJMESA-N 1 1 298.430 3.191 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1CCC1)C2 ZINC001054068689 801470647 /nfs/dbraw/zinc/47/06/47/801470647.db2.gz SJKUNJFOBMLSGE-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC1CC1)C2 ZINC001054105108 801473205 /nfs/dbraw/zinc/47/32/05/801473205.db2.gz PUCSCYAJJBKRMW-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)/C(C)=C/C)C2 ZINC001054110329 801473821 /nfs/dbraw/zinc/47/38/21/801473821.db2.gz CVIXIDYREQEOED-VIHDGPTJSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)C(=C)C)C2 ZINC001054174912 801477714 /nfs/dbraw/zinc/47/77/14/801477714.db2.gz CTYXNXFSYWHXSC-SFHVURJKSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@]2(CC[N@H+](CCC)C2)C1 ZINC001054192444 801479450 /nfs/dbraw/zinc/47/94/50/801479450.db2.gz YQFOMZRPYCLFFZ-QZTJIDSGSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@H+]1Cc2ccc(CNC(=O)C3CC=CC3)cc2C1 ZINC001054259491 801481140 /nfs/dbraw/zinc/48/11/40/801481140.db2.gz CUGNHORJBLBNAJ-UHFFFAOYSA-N 1 1 296.414 3.161 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccsc2)CC[C@H]1C ZINC001071334901 801529918 /nfs/dbraw/zinc/52/99/18/801529918.db2.gz NGFPMWBYWZIKHK-HIFRSBDPSA-N 1 1 292.448 3.297 20 30 CGEDMO C[C@@H]1C[C@H](N2CC[C@@](C)(C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC001256561201 806916813 /nfs/dbraw/zinc/91/68/13/806916813.db2.gz WBDARGZBIWLQTA-QRQLOZEOSA-N 1 1 297.446 3.275 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)C2=CCCC2)CC[C@@H]1C ZINC001071423924 801536415 /nfs/dbraw/zinc/53/64/15/801536415.db2.gz LIOSSGCMDHVDKW-GOEBONIOSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)C2(C3CC3)CC2)CC[C@H]1C ZINC001071597783 801542483 /nfs/dbraw/zinc/54/24/83/801542483.db2.gz OANWDBOSERJKBW-GDBMZVCRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)c2ccc(CC)o2)CC[C@H]1C ZINC001071619410 801546315 /nfs/dbraw/zinc/54/63/15/801546315.db2.gz OMADCZVRFIXGSX-ZIAGYGMSSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2cc(C)cc(C)c2)CC[C@H]1C ZINC001072027068 801560893 /nfs/dbraw/zinc/56/08/93/801560893.db2.gz SVIWOCFNQIJISU-NVXWUHKLSA-N 1 1 286.419 3.072 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2cc3ccccc3o2)CC[C@@H]1C ZINC001072049183 801563172 /nfs/dbraw/zinc/56/31/72/801563172.db2.gz OFYNMOUQUDZAOK-DZGCQCFKSA-N 1 1 298.386 3.202 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)C2CCC(C)(C)CC2)CC[C@H]1C ZINC001072106587 801565914 /nfs/dbraw/zinc/56/59/14/801565914.db2.gz SSGIZMMMZOCTHA-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2=CCCCC2)C1 ZINC001079495959 801644712 /nfs/dbraw/zinc/64/47/12/801644712.db2.gz CQDFKILNBFFPCV-IUODEOHRSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2=CCCCC2)C1 ZINC001079495959 801644720 /nfs/dbraw/zinc/64/47/20/801644720.db2.gz CQDFKILNBFFPCV-IUODEOHRSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3occc3c2)C1 ZINC001079745156 801647442 /nfs/dbraw/zinc/64/74/42/801647442.db2.gz MNGPWDNMMGGOJI-CZUORRHYSA-N 1 1 298.386 3.059 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](C[C@@H](C)CC)C[C@H]21 ZINC001084573877 801668685 /nfs/dbraw/zinc/66/86/85/801668685.db2.gz FHSXFKMZKXFHMD-ARFHVFGLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)oc1C ZINC001085479551 801688495 /nfs/dbraw/zinc/68/84/95/801688495.db2.gz VPLNLPJSYYRMPO-HNNXBMFYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CCCCCC1 ZINC001085510291 801691446 /nfs/dbraw/zinc/69/14/46/801691446.db2.gz QXBALNUBJLMIGG-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1sccc1Cl ZINC001085610851 801696617 /nfs/dbraw/zinc/69/66/17/801696617.db2.gz CNAGHLVMDLKJCV-NSHDSACASA-N 1 1 298.839 3.124 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1sccc1Cl ZINC001085610851 801696620 /nfs/dbraw/zinc/69/66/20/801696620.db2.gz CNAGHLVMDLKJCV-NSHDSACASA-N 1 1 298.839 3.124 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(CC)s1 ZINC001085706246 801700365 /nfs/dbraw/zinc/70/03/65/801700365.db2.gz KLQWRIKGHWJNHC-CYBMUJFWSA-N 1 1 292.448 3.033 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(Cl)cs1 ZINC001085855585 801709822 /nfs/dbraw/zinc/70/98/22/801709822.db2.gz COBDXMFLAOLHRU-LBPRGKRZSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(Cl)cs1 ZINC001085855584 801710003 /nfs/dbraw/zinc/71/00/03/801710003.db2.gz COBDXMFLAOLHRU-GFCCVEGCSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C12CCC(CC1)CC2 ZINC001085983862 801716005 /nfs/dbraw/zinc/71/60/05/801716005.db2.gz QJZCWTPYTIPEJG-UPTPFMHGSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)C=CCC2)[C@H]1CC ZINC001087690749 801760859 /nfs/dbraw/zinc/76/08/59/801760859.db2.gz PJZZDXXEXCBETK-JZXOWHBKSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2CCC)[C@H]1CC ZINC001087717792 801765791 /nfs/dbraw/zinc/76/57/91/801765791.db2.gz OVHPMMSEDKSZNJ-WCXIOVBPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+](CCCC)CC[C@@H]2C1 ZINC001088093374 801774464 /nfs/dbraw/zinc/77/44/64/801774464.db2.gz UMWNTRWZPFMLOO-RYRKJORJSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2=CCCCCC2)[C@H]1C ZINC001088538902 801798600 /nfs/dbraw/zinc/79/86/00/801798600.db2.gz XEWUAAOKQGWKBP-ZBFHGGJFSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2c(C)oc3ccccc32)[C@H]1C ZINC001088589355 801801683 /nfs/dbraw/zinc/80/16/83/801801683.db2.gz XCFBVRKMBZQUMI-DOMZBBRYSA-N 1 1 298.386 3.120 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC2CC(C)(C)C2)[C@H]1C ZINC001088812437 801809034 /nfs/dbraw/zinc/80/90/34/801809034.db2.gz DOHYXADRLQVWRE-OCCSQVGLSA-N 1 1 298.858 3.144 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC2CC(C)(C)C2)[C@H]1C ZINC001088812437 801809040 /nfs/dbraw/zinc/80/90/40/801809040.db2.gz DOHYXADRLQVWRE-OCCSQVGLSA-N 1 1 298.858 3.144 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[N@H+](CC[C@@H](C)F)[C@@H]2C)CC1 ZINC001088838542 801812206 /nfs/dbraw/zinc/81/22/06/801812206.db2.gz PFTAPOVEFQLYBL-FMKPAKJESA-N 1 1 296.430 3.060 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)cc(C)c2)[C@H]1C ZINC001089003782 801817199 /nfs/dbraw/zinc/81/71/99/801817199.db2.gz JDEDVCXABNYMJV-WBVHZDCISA-N 1 1 286.419 3.072 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CCC(C)=C(C)C2)[C@H]1C ZINC001089068248 801821555 /nfs/dbraw/zinc/82/15/55/801821555.db2.gz ULMJKZFOIRFNOQ-SOLBZPMBSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)C)CC(C)(C)C1 ZINC001089320101 801833768 /nfs/dbraw/zinc/83/37/68/801833768.db2.gz GSYQNCJMMIKVBX-ZDUSSCGKSA-N 1 1 286.847 3.002 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC2(C)C)CC(C)(C)C1 ZINC001089364284 801835966 /nfs/dbraw/zinc/83/59/66/801835966.db2.gz XYNVTWIXHGVYBS-GJZGRUSLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CCCC1 ZINC001089602133 801846379 /nfs/dbraw/zinc/84/63/79/801846379.db2.gz XFLBAOCVGUNRKS-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CC=CC1 ZINC001089623469 801847067 /nfs/dbraw/zinc/84/70/67/801847067.db2.gz PQNHIOVRPWBBGU-INIZCTEOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC2(C)C)[C@H](C)C1 ZINC001092894172 801863569 /nfs/dbraw/zinc/86/35/69/801863569.db2.gz SWJSGDJYSFAEMG-BZUAXINKSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)c3ccccc3)CCC[C@@H]12 ZINC001094351988 801872364 /nfs/dbraw/zinc/87/23/64/801872364.db2.gz JETLLCDZYFNNOG-IEBWSBKVSA-N 1 1 298.430 3.237 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(C)C=CCC1)C2 ZINC001095880267 801885024 /nfs/dbraw/zinc/88/50/24/801885024.db2.gz HDLHBBISXWXMFC-CVYDXHPNSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(C(C)C)c1)C2 ZINC001098157312 801907252 /nfs/dbraw/zinc/90/72/52/801907252.db2.gz YMQZTOZMFXAXCT-KURKYZTESA-N 1 1 298.430 3.331 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C3CC3)cc1)C2 ZINC001098450262 801908924 /nfs/dbraw/zinc/90/89/24/801908924.db2.gz MWSKAIBGTULPGN-KURKYZTESA-N 1 1 296.414 3.085 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccccc2C)C1 ZINC001098710818 801912132 /nfs/dbraw/zinc/91/21/32/801912132.db2.gz ANUGYSAABSHVTN-LPHOPBHVSA-N 1 1 298.430 3.155 20 30 CGEDMO CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC(C)C ZINC001098895185 801920002 /nfs/dbraw/zinc/92/00/02/801920002.db2.gz QZTLKBWWWDZMMJ-INIZCTEOSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(CC)CC ZINC001098920850 801923142 /nfs/dbraw/zinc/92/31/42/801923142.db2.gz CMUCTZYUPSBHNE-INIZCTEOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@]1(C)C=CCC1 ZINC001099164672 801930561 /nfs/dbraw/zinc/93/05/61/801930561.db2.gz FWUBFNPBQRBTDU-YJBOKZPZSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)CC(=C)C ZINC001099189302 801932573 /nfs/dbraw/zinc/93/25/73/801932573.db2.gz QBOGCJULPKGKCA-CVEARBPZSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC=C ZINC001099200276 801935035 /nfs/dbraw/zinc/93/50/35/801935035.db2.gz YHBVLKKMZXGZBI-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](CCC)C(C)C)C[C@]2(C)C1 ZINC001101378813 801978482 /nfs/dbraw/zinc/97/84/82/801978482.db2.gz GTLRRIQCOCNUOC-RYRKJORJSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)C[C@H](C)CCC)[C@H](C)C1 ZINC001101801368 801989494 /nfs/dbraw/zinc/98/94/94/801989494.db2.gz BJTFDWJOKHYVNK-BRWVUGGUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](CC(=C)Cl)C[C@H]1C ZINC001102261315 802003033 /nfs/dbraw/zinc/00/30/33/802003033.db2.gz VLPVCKAZBJIXMR-UMVBOHGHSA-N 1 1 298.858 3.025 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)C2(CC)CCC2)[C@H](C)C1 ZINC001102256414 802003316 /nfs/dbraw/zinc/00/33/16/802003316.db2.gz QOTDVXHDAPCSJT-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](CNC(=O)C2(C(C)C)CC2)[C@H](C)C1 ZINC001102352652 802007366 /nfs/dbraw/zinc/00/73/66/802007366.db2.gz OEGOZOCNKLIPFC-HZPDHXFCSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)/C=C\C(C)(C)C)C1 ZINC001102784196 802018919 /nfs/dbraw/zinc/01/89/19/802018919.db2.gz OJAWPDLQAABVII-LRDXNBAQSA-N 1 1 292.467 3.239 20 30 CGEDMO C=C(C)CCC(=O)NCC[C@@H]1C[N@@H+](C[C@H](F)CC)C[C@H]1C ZINC001103040334 802026577 /nfs/dbraw/zinc/02/65/77/802026577.db2.gz QFQDERDRDHJQTO-BZUAXINKSA-N 1 1 298.446 3.165 20 30 CGEDMO C=CC(C)(C)CC(=O)NCC[C@@H]1C[N@H+](CC2CC2)C[C@H]1C ZINC001103033597 802026839 /nfs/dbraw/zinc/02/68/39/802026839.db2.gz ULBLGFXHUBODLB-GDBMZVCRSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[C@@H]1C[N@H+](CCC(=C)C)C[C@H]1C ZINC001103311738 802029381 /nfs/dbraw/zinc/02/93/81/802029381.db2.gz ISENRXWEGDNWKB-HZPDHXFCSA-N 1 1 292.467 3.239 20 30 CGEDMO C#CCCCCCC(=O)NCC[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC001103311555 802029595 /nfs/dbraw/zinc/02/95/95/802029595.db2.gz AQSCIMMKHZDIBS-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](F)C(C)C)C1 ZINC001103337241 802031010 /nfs/dbraw/zinc/03/10/10/802031010.db2.gz LBNHTGQYOFJKAC-OAGGEKHMSA-N 1 1 298.446 3.021 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCC[C@@H]1C[N@@H+](CCC)C[C@H]1C ZINC001103401577 802032524 /nfs/dbraw/zinc/03/25/24/802032524.db2.gz GZDFYVFSKZABOL-BFYDXBDKSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)CCC)C1 ZINC001103387171 802033069 /nfs/dbraw/zinc/03/30/69/802033069.db2.gz MNZRQYHULCJIRS-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NCC[C@@H]1C[N@@H+](CC(C)C)C[C@H]1C ZINC001103346632 802033551 /nfs/dbraw/zinc/03/35/51/802033551.db2.gz OXGSWXAIHGJXMJ-BRWVUGGUSA-N 1 1 294.483 3.319 20 30 CGEDMO C=C[C@H](CC)CC(=O)NCC[C@@H]1C[N@@H+](CCC)C[C@H]1C ZINC001103350092 802033865 /nfs/dbraw/zinc/03/38/65/802033865.db2.gz DUHATHCANAHODJ-BZUAXINKSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC(C)C)C1 ZINC001103461873 802034807 /nfs/dbraw/zinc/03/48/07/802034807.db2.gz ZDXABKWECRJYRV-IAGOWNOFSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC(C)(C)C(=O)NCC[C@@H]1C[N@H+](CC2CC2)C[C@H]1C ZINC001103474680 802035925 /nfs/dbraw/zinc/03/59/25/802035925.db2.gz IMDPOKFTVRBEBG-GDBMZVCRSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@H](C)CC)C1 ZINC001103561606 802037193 /nfs/dbraw/zinc/03/71/93/802037193.db2.gz VEKZZJBUWICXHT-BZUAXINKSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)C2CC2)C1 ZINC001103759228 802038678 /nfs/dbraw/zinc/03/86/78/802038678.db2.gz LBOFHVYSNMLOLU-BFYDXBDKSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)F)CCC[C@@H]12 ZINC001107255955 802081995 /nfs/dbraw/zinc/08/19/95/802081995.db2.gz CAHRCJINXJMQPA-RHSMWYFYSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](C[C@H](F)CC)CC2 ZINC001107326651 802085461 /nfs/dbraw/zinc/08/54/61/802085461.db2.gz CTYSJOSRKSGVIB-BFYDXBDKSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC)CC2 ZINC001107515556 802088882 /nfs/dbraw/zinc/08/88/82/802088882.db2.gz XSTYFNIVITXGCS-JFIYKMOQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC)CC2 ZINC001107515557 802089623 /nfs/dbraw/zinc/08/96/23/802089623.db2.gz XSTYFNIVITXGCS-LZLYRXPVSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCCC)C2 ZINC001108936145 802104729 /nfs/dbraw/zinc/10/47/29/802104729.db2.gz UFHFLXPGIQOLOO-PMPSAXMXSA-N 1 1 278.440 3.254 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C=C/C1CC1)C2 ZINC001109123101 802108245 /nfs/dbraw/zinc/10/82/45/802108245.db2.gz PUWIJIKWZVSKSN-NNNHLETNSA-N 1 1 288.435 3.029 20 30 CGEDMO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C(C)=C/C)C2 ZINC001109133678 802109669 /nfs/dbraw/zinc/10/96/69/802109669.db2.gz KVZXLKUNERHUSJ-MPRHCZSLSA-N 1 1 290.451 3.421 20 30 CGEDMO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](F)CC)C2 ZINC001109608292 802119050 /nfs/dbraw/zinc/11/90/50/802119050.db2.gz LYUGNVDKLJMJDR-WCVJEAGWSA-N 1 1 296.430 3.202 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CC)CCC1)C2 ZINC001109628342 802120412 /nfs/dbraw/zinc/12/04/12/802120412.db2.gz KIHJJVNCITZQQR-PMPSAXMXSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(C)C ZINC001109632958 802121551 /nfs/dbraw/zinc/12/15/51/802121551.db2.gz JKEZHGZQIOLZSO-NCOADZHNSA-N 1 1 290.451 3.276 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](F)CC ZINC001109769781 802124914 /nfs/dbraw/zinc/12/49/14/802124914.db2.gz UKSZHHMHPZGKCJ-XGUBFFRZSA-N 1 1 296.430 3.058 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](F)CC ZINC001109769781 802124919 /nfs/dbraw/zinc/12/49/19/802124919.db2.gz UKSZHHMHPZGKCJ-XGUBFFRZSA-N 1 1 296.430 3.058 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)/C=C/C1CC1)C2 ZINC001110427324 802141026 /nfs/dbraw/zinc/14/10/26/802141026.db2.gz PUWIJIKWZVSKSN-MBYHIMQLSA-N 1 1 288.435 3.029 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1(C)CCCC1)C2 ZINC001110528680 802144338 /nfs/dbraw/zinc/14/43/38/802144338.db2.gz FEXIQPMIDJUWKU-OAGGEKHMSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@@H](C)F ZINC001110891914 802148597 /nfs/dbraw/zinc/14/85/97/802148597.db2.gz FINSZIMHKPCNMM-TUVASFSCSA-N 1 1 296.430 3.058 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C=C)CC)C2 ZINC001110934861 802149986 /nfs/dbraw/zinc/14/99/86/802149986.db2.gz PLMDRSDFOSXGDM-HZMVEIRTSA-N 1 1 290.451 3.276 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC)CCCCC1 ZINC001111442303 802161267 /nfs/dbraw/zinc/16/12/67/802161267.db2.gz KELBUIDWIIUTNE-OAGGEKHMSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC2CCC2)C1 ZINC001111689658 802165857 /nfs/dbraw/zinc/16/58/57/802165857.db2.gz MFKIQBDSRDYCMN-WMZOPIPTSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)CCC)C1 ZINC001111672850 802167198 /nfs/dbraw/zinc/16/71/98/802167198.db2.gz OQRRMNDTIVDVRS-BQFCYCMXSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCCC)C2 ZINC001111859205 802169940 /nfs/dbraw/zinc/16/99/40/802169940.db2.gz UJHHGRCDUBPAIB-RDJZCZTQSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H](C)CC)C1 ZINC001111912888 802173177 /nfs/dbraw/zinc/17/31/77/802173177.db2.gz UFLNAIPOKMMVQC-BQFCYCMXSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCCC[NH+]1CCN(C(=O)c2coc(C)c2)CC1 ZINC001112791645 802190036 /nfs/dbraw/zinc/19/00/36/802190036.db2.gz UJIXFGAIUXNLOZ-UHFFFAOYSA-N 1 1 290.407 3.092 20 30 CGEDMO C=C(C)CC[NH+]1CCN(C(=O)[C@](C)(F)CCCC)CC1 ZINC001113041539 802200710 /nfs/dbraw/zinc/20/07/10/802200710.db2.gz AXUVGNQDGJNADO-MRXNPFEDSA-N 1 1 284.419 3.015 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)CC ZINC001113893449 802235107 /nfs/dbraw/zinc/23/51/07/802235107.db2.gz MAECSEYLLFAODX-CAOSSQGBSA-N 1 1 280.456 3.049 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)CCC ZINC001114079862 802237328 /nfs/dbraw/zinc/23/73/28/802237328.db2.gz NKTJTEOJOJJVNB-MWDXBVQZSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)CC ZINC001114192565 802239874 /nfs/dbraw/zinc/23/98/74/802239874.db2.gz XNTZECQCJJITKY-LISAXSMJSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3ccccc3)C[C@H]21 ZINC001114352473 802241964 /nfs/dbraw/zinc/24/19/64/802241964.db2.gz BBLOJJITSLEGLS-NWGLXNPWSA-N 1 1 298.430 3.150 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC(C)C)C[C@H]21 ZINC001114792999 802245668 /nfs/dbraw/zinc/24/56/68/802245668.db2.gz YKXVJJOJKASAIL-MUQADHOPSA-N 1 1 292.467 3.071 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(CC)CC1 ZINC001114796226 802246106 /nfs/dbraw/zinc/24/61/06/802246106.db2.gz GIYXALPPVSOGBR-ZSHCYNCHSA-N 1 1 292.467 3.193 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)CCCCC ZINC001114935249 802248729 /nfs/dbraw/zinc/24/87/29/802248729.db2.gz NDGAKUKAYQFXHX-CBZIJGRNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)CC(C)C ZINC001115094228 802252370 /nfs/dbraw/zinc/25/23/70/802252370.db2.gz QIHXWCRWGLRHPD-MWDXBVQZSA-N 1 1 292.467 3.071 20 30 CGEDMO CCCCCCC[C@H](CC)[NH2+]CC(F)(F)CO ZINC001172351090 808247713 /nfs/dbraw/zinc/24/77/13/808247713.db2.gz SFBROUBMYQHRBI-LBPRGKRZSA-N 1 1 251.361 3.343 20 30 CGEDMO C=CCO[C@H]1CC[N@H+]([C@H](C)c2ccc(F)c(F)c2)C1 ZINC001116556641 802377752 /nfs/dbraw/zinc/37/77/52/802377752.db2.gz RGYDMLOBLIMTNS-YPMHNXCESA-N 1 1 267.319 3.303 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cc(C)c(C)cc2C)C1 ZINC001116576433 802380582 /nfs/dbraw/zinc/38/05/82/802380582.db2.gz ZEOFQGQKBDVNQH-QGZVFWFLSA-N 1 1 259.393 3.389 20 30 CGEDMO C=CCN1CC[C@]2(CC[N@@H+](CCCC3CCCC3)C2)C1=O ZINC001273100590 808833529 /nfs/dbraw/zinc/83/35/29/808833529.db2.gz DXEANTRJCWSUTE-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@@H+](CC1CCCCC1)CN1CC2(CC2)CC1=O ZINC001118000133 802517182 /nfs/dbraw/zinc/51/71/82/802517182.db2.gz OZESQOKQTHQJJH-UHFFFAOYSA-N 1 1 276.424 3.025 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)cc1 ZINC001118321423 802549562 /nfs/dbraw/zinc/54/95/62/802549562.db2.gz OFOLCSFJFDNNPG-FUHWJXTLSA-N 1 1 298.430 3.489 20 30 CGEDMO N#CC[C@@H](O)C[N@H+]1CCCCC[C@@H]1/C=C/c1cccs1 ZINC001119807494 802700008 /nfs/dbraw/zinc/70/00/08/802700008.db2.gz AZSCLUVKCJKFER-FHFZEBMASA-N 1 1 290.432 3.280 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cs1)Cc1cccn1C1CC1 ZINC001119983460 802719625 /nfs/dbraw/zinc/71/96/25/802719625.db2.gz SAGPUWMHDLTION-UHFFFAOYSA-N 1 1 271.389 3.388 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1cccn1C1CC1 ZINC001119983460 802719628 /nfs/dbraw/zinc/71/96/28/802719628.db2.gz SAGPUWMHDLTION-UHFFFAOYSA-N 1 1 271.389 3.388 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CC)C1 ZINC001120391856 802743457 /nfs/dbraw/zinc/74/34/57/802743457.db2.gz HYHBGSVFVJDXTC-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CC(CC)(CC)N[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256895945 806999892 /nfs/dbraw/zinc/99/98/92/806999892.db2.gz FEZGXOCEPAKHMR-HNNXBMFYSA-N 1 1 262.441 3.175 20 30 CGEDMO C#CC(CC)(CC)N[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256895945 806999894 /nfs/dbraw/zinc/99/98/94/806999894.db2.gz FEZGXOCEPAKHMR-HNNXBMFYSA-N 1 1 262.441 3.175 20 30 CGEDMO N#Cc1ccccc1CN[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256899252 807001961 /nfs/dbraw/zinc/00/19/61/807001961.db2.gz DICKVRSEHLZXKZ-QGZVFWFLSA-N 1 1 283.419 3.055 20 30 CGEDMO COc1ccc(-c2c[nH+]c(N(C)C)cc2C)c(C#N)c1 ZINC001243732024 802971875 /nfs/dbraw/zinc/97/18/75/802971875.db2.gz RAYVNDUPCGQBHR-UHFFFAOYSA-N 1 1 267.332 3.003 20 30 CGEDMO C=CCCCCCC[N@@H+]1CC[C@@](C)(C(=O)OC)C1 ZINC001209438971 814037987 /nfs/dbraw/zinc/03/79/87/814037987.db2.gz ZRUSBTQGCLKGII-OAHLLOKOSA-N 1 1 253.386 3.008 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](NC(=O)CCCCC)CC[C@@H]1C ZINC001131816109 803347479 /nfs/dbraw/zinc/34/74/79/803347479.db2.gz CGJHJWWEPXUISZ-GJZGRUSLSA-N 1 1 266.429 3.112 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccsc2)C1 ZINC001131894845 803355211 /nfs/dbraw/zinc/35/52/11/803355211.db2.gz CCHZVCPLAPXJFM-UKRRQHHQSA-N 1 1 292.448 3.183 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)/C=C(/C)C2CC2)CC[C@H]1C ZINC001131903665 803356061 /nfs/dbraw/zinc/35/60/61/803356061.db2.gz JDNBVDJBTAPLFJ-SBALYVHTSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@H](NC(=O)/C=C/C(C)(C)C)CC[C@H]1C ZINC001131911795 803357104 /nfs/dbraw/zinc/35/71/04/803357104.db2.gz NSCUCHARHBRTEB-SJXIGLKTSA-N 1 1 298.858 3.310 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)/C=C/C(C)(C)C)CC[C@H]1C ZINC001131911795 803357111 /nfs/dbraw/zinc/35/71/11/803357111.db2.gz NSCUCHARHBRTEB-SJXIGLKTSA-N 1 1 298.858 3.310 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)CC2CCC2)CC[C@@H]1C ZINC001131943816 803361560 /nfs/dbraw/zinc/36/15/60/803361560.db2.gz VIARJUWAKWCNQY-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](NC(=O)C=C(CC)CC)CC[C@@H]1C ZINC001131987505 803364277 /nfs/dbraw/zinc/36/42/77/803364277.db2.gz BPDJUWQTPWNBCV-HOCLYGCPSA-N 1 1 278.440 3.278 20 30 CGEDMO C#CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(CC)CC)C1 ZINC001132003517 803366238 /nfs/dbraw/zinc/36/62/38/803366238.db2.gz WNEAZHDJPCRYNC-RDJZCZTQSA-N 1 1 292.467 3.195 20 30 CGEDMO CC(C)C#CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCCC(C)C)C1 ZINC001132021879 803367101 /nfs/dbraw/zinc/36/71/01/803367101.db2.gz QZJMFSZIPWFBCN-IRXDYDNUSA-N 1 1 292.467 3.051 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCC)C1 ZINC001132077959 803373564 /nfs/dbraw/zinc/37/35/64/803373564.db2.gz JTHUYLFXCYJGOY-YPMHNXCESA-N 1 1 286.847 3.144 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)C(CCC)CCC)CC[C@H]1C ZINC001132244746 803387204 /nfs/dbraw/zinc/38/72/04/803387204.db2.gz KFZKFQGJJSDYNS-GDBMZVCRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC1(C(=O)N[C@H]2CC[C@H](C)[N@H+](CCCF)C2)CC1 ZINC001132290582 803391333 /nfs/dbraw/zinc/39/13/33/803391333.db2.gz FJXQULJFWNVJQB-GJZGRUSLSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)CC)CC[C@H]1C ZINC001132287861 803392242 /nfs/dbraw/zinc/39/22/42/803392242.db2.gz KMBBXTPTWLPXLH-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)C2(CF)CCC2)CC[C@@H]1C ZINC001132313722 803394717 /nfs/dbraw/zinc/39/47/17/803394717.db2.gz CQQSUMBTXIHXDM-LSDHHAIUSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)CCC(C)(C)C)CC[C@@H]1C ZINC001132372339 803397684 /nfs/dbraw/zinc/39/76/84/803397684.db2.gz PZAAUEKACMOBBI-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)CCC(C)(C)C)CC[C@H]1C ZINC001132372336 803398271 /nfs/dbraw/zinc/39/82/71/803398271.db2.gz PZAAUEKACMOBBI-HUUCEWRRSA-N 1 1 280.456 3.358 20 30 CGEDMO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)CCCCC)CC[C@H]1C ZINC001132500243 803408927 /nfs/dbraw/zinc/40/89/27/803408927.db2.gz OGDRRFHMVXFVMH-CVEARBPZSA-N 1 1 292.467 3.195 20 30 CGEDMO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)CCCCC)CC[C@H]1C ZINC001132500243 803408934 /nfs/dbraw/zinc/40/89/34/803408934.db2.gz OGDRRFHMVXFVMH-CVEARBPZSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CC1(CC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CCCCC1 ZINC001136224899 803637594 /nfs/dbraw/zinc/63/75/94/803637594.db2.gz LUUPMHLDQLPHOQ-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2c[nH]c3c2cccc3F)C1 ZINC001137057888 803677355 /nfs/dbraw/zinc/67/73/55/803677355.db2.gz VMZIRFZEJURORQ-GFCCVEGCSA-N 1 1 256.324 3.152 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)CCC1(F)F ZINC001137115367 803685429 /nfs/dbraw/zinc/68/54/29/803685429.db2.gz KSLHNVNJWGYWLG-CYBMUJFWSA-N 1 1 294.345 3.456 20 30 CGEDMO Cc1cc(C)c(C[N@@H+]2CCc3ccc(C#N)cc3C2)[nH]1 ZINC001137322664 803714942 /nfs/dbraw/zinc/71/49/42/803714942.db2.gz MLZOOUHDGCBFBB-UHFFFAOYSA-N 1 1 265.360 3.062 20 30 CGEDMO Cc1cc(C)c(C[N@H+]2CCc3ccc(C#N)cc3C2)[nH]1 ZINC001137322664 803714947 /nfs/dbraw/zinc/71/49/47/803714947.db2.gz MLZOOUHDGCBFBB-UHFFFAOYSA-N 1 1 265.360 3.062 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@H]3CCC[C@H]32)c(C#N)c1 ZINC001137704397 803761302 /nfs/dbraw/zinc/76/13/02/803761302.db2.gz DPZPNEYKCVAIGM-CXAGYDPISA-N 1 1 270.376 3.331 20 30 CGEDMO CCOc1cccc(C[N@H+]2CCC[C@H](C#N)CC2)c1 ZINC001138101356 803853990 /nfs/dbraw/zinc/85/39/90/803853990.db2.gz YUOQZPDHKSGRCM-AWEZNQCLSA-N 1 1 258.365 3.211 20 30 CGEDMO CN1CCCc2cc(C[N@H+]3CCC[C@H](CC#N)C3)ccc21 ZINC001138358745 803902313 /nfs/dbraw/zinc/90/23/13/803902313.db2.gz YYBDGCJXSSOLMP-OAHLLOKOSA-N 1 1 283.419 3.195 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1O ZINC001138624284 803982381 /nfs/dbraw/zinc/98/23/81/803982381.db2.gz AYTHTAUTDYNEJQ-WBVHZDCISA-N 1 1 287.403 3.122 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CC[C@@](C)(O)[C@H](C)C1 ZINC001138662398 803996916 /nfs/dbraw/zinc/99/69/16/803996916.db2.gz WYTUGHJGKSDXHG-CRAIPNDOSA-N 1 1 289.419 3.234 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1ccc2c(c1)CCCO2 ZINC001138716300 804014401 /nfs/dbraw/zinc/01/44/01/804014401.db2.gz AMVBEKXZBXFWII-UHFFFAOYSA-N 1 1 258.365 3.137 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1ccc2c(c1)CCCO2 ZINC001138716300 804014408 /nfs/dbraw/zinc/01/44/08/804014408.db2.gz AMVBEKXZBXFWII-UHFFFAOYSA-N 1 1 258.365 3.137 20 30 CGEDMO Cc1c[nH]c(C[NH+]2CCC(Cc3ccc(C#N)cc3)CC2)n1 ZINC001138940216 804075148 /nfs/dbraw/zinc/07/51/48/804075148.db2.gz BJNJAUOGLHDYKG-UHFFFAOYSA-N 1 1 294.402 3.045 20 30 CGEDMO CCC(=O)Oc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1 ZINC001138964622 804090618 /nfs/dbraw/zinc/09/06/18/804090618.db2.gz DIHNWDDZUBCTHA-PHZGNYQRSA-N 1 1 298.386 3.269 20 30 CGEDMO CCCCCCCC[C@@H](O)C[NH2+][C@@H](CN)c1ccccc1 ZINC001245976479 804091463 /nfs/dbraw/zinc/09/14/63/804091463.db2.gz TZCWERYOHJVHQH-MSOLQXFVSA-N 1 1 292.467 3.388 20 30 CGEDMO CCCCCCCC[C@H](O)C[NH2+][C@H](CN)c1ccccc1 ZINC001245976482 804091783 /nfs/dbraw/zinc/09/17/83/804091783.db2.gz TZCWERYOHJVHQH-ZWKOTPCHSA-N 1 1 292.467 3.388 20 30 CGEDMO C#CC(CC)(CC)NC1C[C@H](CC)[NH2+][C@@H](CC)C1 ZINC001246073121 804110498 /nfs/dbraw/zinc/11/04/98/804110498.db2.gz VBBOJNLORQAQKW-KBPBESRZSA-N 1 1 250.430 3.077 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[N@H+]1CC[NH2+]C[C@H](C)C1 ZINC001246034253 804101680 /nfs/dbraw/zinc/10/16/80/804101680.db2.gz XAVFTLBUCUUKSD-ROUUACIJSA-N 1 1 298.515 3.419 20 30 CGEDMO CCCCCCCCCC[C@H](O)CN1CC[NH2+]C[C@H](C)C1 ZINC001246034253 804101688 /nfs/dbraw/zinc/10/16/88/804101688.db2.gz XAVFTLBUCUUKSD-ROUUACIJSA-N 1 1 298.515 3.419 20 30 CGEDMO C#CC(CC)(CC)N[C@@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246073122 804110325 /nfs/dbraw/zinc/11/03/25/804110325.db2.gz VBBOJNLORQAQKW-QDMKHBRRSA-N 1 1 250.430 3.077 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+](C)C1CC(F)(F)C1 ZINC001139026920 804112114 /nfs/dbraw/zinc/11/21/14/804112114.db2.gz FLRXWSSUVNLAST-UHFFFAOYSA-N 1 1 267.319 3.481 20 30 CGEDMO C=CCOc1ccccc1C[N@H+](C)C1CC(F)(F)C1 ZINC001139026920 804112116 /nfs/dbraw/zinc/11/21/16/804112116.db2.gz FLRXWSSUVNLAST-UHFFFAOYSA-N 1 1 267.319 3.481 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccc(-n2cncn2)cc1 ZINC001139333473 804173433 /nfs/dbraw/zinc/17/34/33/804173433.db2.gz UEYCMIIECUJYDE-UHFFFAOYSA-N 1 1 270.380 3.055 20 30 CGEDMO C[C@@]1(F)CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC001139526085 804200488 /nfs/dbraw/zinc/20/04/88/804200488.db2.gz TWNYYCROPFFDTD-OAHLLOKOSA-N 1 1 264.319 3.411 20 30 CGEDMO COC1(C)CC[NH+](Cc2cccc(Cl)c2C#N)CC1 ZINC001139687208 804254455 /nfs/dbraw/zinc/25/44/55/804254455.db2.gz MMQDNMNJBOTROT-UHFFFAOYSA-N 1 1 278.783 3.213 20 30 CGEDMO COCC[N@H+](Cc1cccc(Cl)c1C#N)C(C)C ZINC001139690624 804256230 /nfs/dbraw/zinc/25/62/30/804256230.db2.gz FAVIXVSQRYVSGO-UHFFFAOYSA-N 1 1 266.772 3.068 20 30 CGEDMO COCC[N@@H+](Cc1cccc(Cl)c1C#N)C(C)C ZINC001139690624 804256234 /nfs/dbraw/zinc/25/62/34/804256234.db2.gz FAVIXVSQRYVSGO-UHFFFAOYSA-N 1 1 266.772 3.068 20 30 CGEDMO CC(C)O[C@@H]1CC[N@@H+](Cc2c[nH]c3c2cccc3C#N)C1 ZINC001139706465 804261118 /nfs/dbraw/zinc/26/11/18/804261118.db2.gz UTDXWRCZIFEFGY-OAHLLOKOSA-N 1 1 283.375 3.039 20 30 CGEDMO Cc1ccc(C[N@@H+](C)Cc2c[nH]c3c2cccc3C#N)cn1 ZINC001139707355 804261176 /nfs/dbraw/zinc/26/11/76/804261176.db2.gz XMFOUAOXCNEXCT-UHFFFAOYSA-N 1 1 290.370 3.375 20 30 CGEDMO CCCC[C@@H]1C[C@H](N[C@@H]2CCc3c2cccc3C#N)CC[NH2+]1 ZINC001246309624 804270879 /nfs/dbraw/zinc/27/08/79/804270879.db2.gz VTNHKTVRIDXKSA-GPMSIDNRSA-N 1 1 297.446 3.446 20 30 CGEDMO C=CCn1cc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)cn1 ZINC001139772578 804277625 /nfs/dbraw/zinc/27/76/25/804277625.db2.gz LIOJHPFLCVKXII-HOTGVXAUSA-N 1 1 259.397 3.224 20 30 CGEDMO C=CCn1cc(C[N@@H+]2CCC[C@@H]2c2ccccc2OC)cn1 ZINC001139770515 804278091 /nfs/dbraw/zinc/27/80/91/804278091.db2.gz QENUTIZOYVYTGU-QGZVFWFLSA-N 1 1 297.402 3.415 20 30 CGEDMO C=CCn1cc(C[N@H+]2CC[C@H](c3ccccc3)C2)cn1 ZINC001139766668 804278274 /nfs/dbraw/zinc/27/82/74/804278274.db2.gz UCNHSWRXJCGVLY-KRWDZBQOSA-N 1 1 267.376 3.059 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccccc2OC(C)C)no1 ZINC001212325399 815006041 /nfs/dbraw/zinc/00/60/41/815006041.db2.gz QQNZQQPYQLOZRY-AWEZNQCLSA-N 1 1 299.374 3.327 20 30 CGEDMO C#CC[N@H+](C)Cc1sc(-c2ccccc2)nc1C ZINC001139824071 804292318 /nfs/dbraw/zinc/29/23/18/804292318.db2.gz YGHNOICYYJBHPR-UHFFFAOYSA-N 1 1 256.374 3.184 20 30 CGEDMO COCC[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(C#N)c1 ZINC001139874728 804304911 /nfs/dbraw/zinc/30/49/11/804304911.db2.gz JSCKAOBTWZZVNG-INIZCTEOSA-N 1 1 276.355 3.088 20 30 CGEDMO CC[C@H](CC#N)N[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001246393620 804319416 /nfs/dbraw/zinc/31/94/16/804319416.db2.gz WOGNZQRYXHWGTI-SJORKVTESA-N 1 1 289.398 3.148 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1ccccc1-n1ccnc1C ZINC001140028145 804354730 /nfs/dbraw/zinc/35/47/30/804354730.db2.gz MSBKMNDXBFMPLZ-UHFFFAOYSA-N 1 1 282.391 3.306 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1ccccc1-n1ccnc1C ZINC001140028145 804354738 /nfs/dbraw/zinc/35/47/38/804354738.db2.gz MSBKMNDXBFMPLZ-UHFFFAOYSA-N 1 1 282.391 3.306 20 30 CGEDMO CC1(C)C[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)[C@@](C)(CO)C1 ZINC001140110997 804379177 /nfs/dbraw/zinc/37/91/77/804379177.db2.gz WCYCJAGDLAYWTN-GOSISDBHSA-N 1 1 297.402 3.022 20 30 CGEDMO CCO[C@H]1CCC[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140113680 804381102 /nfs/dbraw/zinc/38/11/02/804381102.db2.gz BUFBCZFHNQMHIT-HNNXBMFYSA-N 1 1 283.375 3.040 20 30 CGEDMO CC1(C)CC[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140114040 804381407 /nfs/dbraw/zinc/38/14/07/804381407.db2.gz IICMXQITWVUIMI-UHFFFAOYSA-N 1 1 253.349 3.271 20 30 CGEDMO N#Cc1ccc(C[N@@H+](C2CCC2)C2CCOCC2)c(F)c1 ZINC001140140209 804386496 /nfs/dbraw/zinc/38/64/96/804386496.db2.gz WOHXBWQILAQHHW-UHFFFAOYSA-N 1 1 288.366 3.231 20 30 CGEDMO N#Cc1ccc(C2CCC([N@@H+]3CCCC[C@@H]3CN)CC2)cc1 ZINC001246546033 804396633 /nfs/dbraw/zinc/39/66/33/804396633.db2.gz YWQPFTVYKUZMBE-CTWPCTMYSA-N 1 1 297.446 3.398 20 30 CGEDMO N#Cc1ccc(C2CCC(N3CCCC[C@@H]3C[NH3+])CC2)cc1 ZINC001246546033 804396638 /nfs/dbraw/zinc/39/66/38/804396638.db2.gz YWQPFTVYKUZMBE-CTWPCTMYSA-N 1 1 297.446 3.398 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CCN[C@@H](COC)C1 ZINC001246595547 804436863 /nfs/dbraw/zinc/43/68/63/804436863.db2.gz TULIGIHDSGSVTA-HZPDHXFCSA-N 1 1 270.461 3.046 20 30 CGEDMO Cc1ccc(Cl)nc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001140447821 804438114 /nfs/dbraw/zinc/43/81/14/804438114.db2.gz MTKMRJQMISGNHE-GFCCVEGCSA-N 1 1 263.772 3.169 20 30 CGEDMO Cc1ccc(Cl)nc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001140447821 804438119 /nfs/dbraw/zinc/43/81/19/804438119.db2.gz MTKMRJQMISGNHE-GFCCVEGCSA-N 1 1 263.772 3.169 20 30 CGEDMO CCc1ccc(C[N@@H+](C)Cc2ccc(C#N)nc2)cc1 ZINC001140545642 804458872 /nfs/dbraw/zinc/45/88/72/804458872.db2.gz HXMHYNZYYDMLIT-UHFFFAOYSA-N 1 1 265.360 3.148 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2Cl)CCC[C@@]1(C)O ZINC001140600354 804471169 /nfs/dbraw/zinc/47/11/69/804471169.db2.gz IQLRFNOXMIBYJQ-MLGOLLRUSA-N 1 1 292.810 3.195 20 30 CGEDMO CCCCCCCCCC[C@H](C)[N@H+]1CCNC[C@@H]1CO ZINC001246697287 804498848 /nfs/dbraw/zinc/49/88/48/804498848.db2.gz MKVMWOSFMZIMMD-DLBZAZTESA-N 1 1 284.488 3.172 20 30 CGEDMO CCCCCCCCCC[C@H](C)N1CC[NH2+]C[C@@H]1CO ZINC001246697287 804498853 /nfs/dbraw/zinc/49/88/53/804498853.db2.gz MKVMWOSFMZIMMD-DLBZAZTESA-N 1 1 284.488 3.172 20 30 CGEDMO CC(C)[N@H+](Cc1cc(F)c(C#N)c(F)c1)CC1CC1 ZINC001140754357 804506504 /nfs/dbraw/zinc/50/65/04/804506504.db2.gz WWDPRIHLJSISQN-UHFFFAOYSA-N 1 1 264.319 3.457 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2Cl)CCC[C@@]1(C)O ZINC001140808181 804522523 /nfs/dbraw/zinc/52/25/23/804522523.db2.gz LOFRSLXGSZZMMO-MLGOLLRUSA-N 1 1 292.810 3.195 20 30 CGEDMO N#CCN(Cc1c[nH]c2cc[nH+]cc12)Cc1ccccc1 ZINC001140804859 804523023 /nfs/dbraw/zinc/52/30/23/804523023.db2.gz IIMLNAOOIQNTAI-UHFFFAOYSA-N 1 1 276.343 3.089 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cccc(C#N)c2Cl)CCC[C@@]1(C)O ZINC001140808177 804524248 /nfs/dbraw/zinc/52/42/48/804524248.db2.gz LOFRSLXGSZZMMO-BLLLJJGKSA-N 1 1 292.810 3.195 20 30 CGEDMO CC1(C)CNCC[N@@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001246810118 804526787 /nfs/dbraw/zinc/52/67/87/804526787.db2.gz MVUNXDCAWALEMO-UHFFFAOYSA-N 1 1 297.446 3.074 20 30 CGEDMO CC1(C)CNCC[N@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001246810118 804526792 /nfs/dbraw/zinc/52/67/92/804526792.db2.gz MVUNXDCAWALEMO-UHFFFAOYSA-N 1 1 297.446 3.074 20 30 CGEDMO C[C@H]1CC[C@@H](N)C[N@H+]1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246819038 804533369 /nfs/dbraw/zinc/53/33/69/804533369.db2.gz FBTMTLPLPPAHIR-YUCBAPQESA-N 1 1 297.446 3.396 20 30 CGEDMO C[C@H]1CC[C@@H]([NH3+])CN1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246819038 804533372 /nfs/dbraw/zinc/53/33/72/804533372.db2.gz FBTMTLPLPPAHIR-YUCBAPQESA-N 1 1 297.446 3.396 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@@H](F)[C@@H](N)C1 ZINC001246819980 804535102 /nfs/dbraw/zinc/53/51/02/804535102.db2.gz MLSLSQNDJKVYED-ZNMIVQPWSA-N 1 1 258.425 3.497 20 30 CGEDMO CN(C)CC[C@H]([NH2+]C1CCC(C#N)CC1)c1ccccc1 ZINC001256953330 807014837 /nfs/dbraw/zinc/01/48/37/807014837.db2.gz HTXJKEOVXJCLLF-VJFUWPCTSA-N 1 1 285.435 3.351 20 30 CGEDMO C[C@H]1CN(Cc2ccccc2)CC[N@H+]1C1CCC(C#N)CC1 ZINC001256968450 807019172 /nfs/dbraw/zinc/01/91/72/807019172.db2.gz FYRHDDOBZAOFIO-MUYFXNHWSA-N 1 1 297.446 3.275 20 30 CGEDMO N#CC1CCC([NH+]2CCN(CC3CCCCC3)CC2)CC1 ZINC001256964924 807019341 /nfs/dbraw/zinc/01/93/41/807019341.db2.gz HTSPHCXSYOTNBD-UHFFFAOYSA-N 1 1 289.467 3.267 20 30 CGEDMO N#Cc1c(N)sc(C[N@H+]2CCC[C@@H](F)CC2)c1Cl ZINC001141107050 804590808 /nfs/dbraw/zinc/59/08/08/804590808.db2.gz NZGAMCCFRHPNJU-MRVPVSSYSA-N 1 1 287.791 3.179 20 30 CGEDMO C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141114288 804592575 /nfs/dbraw/zinc/59/25/75/804592575.db2.gz KRLCAICYIVSMOC-DTWKUNHWSA-N 1 1 283.828 3.476 20 30 CGEDMO CCCCCCC[C@H](CCC)[N@H+]1C[C@@H]2NC[C@H]2C1 ZINC001246920156 804600689 /nfs/dbraw/zinc/60/06/89/804600689.db2.gz OWCLGURYWPIYEC-JYJNAYRXSA-N 1 1 252.446 3.419 20 30 CGEDMO CCCCCCC[C@H](CCC)[N@@H+]1C[C@@H]2NC[C@H]2C1 ZINC001246920156 804600691 /nfs/dbraw/zinc/60/06/91/804600691.db2.gz OWCLGURYWPIYEC-JYJNAYRXSA-N 1 1 252.446 3.419 20 30 CGEDMO CCCCCCC[C@H](CC)[N@@H+]1CC[C@@](F)(CN)C1 ZINC001246947112 804613975 /nfs/dbraw/zinc/61/39/75/804613975.db2.gz VKNJLYLXKGUYFW-LSDHHAIUSA-N 1 1 258.425 3.498 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@@](F)(CN)C1 ZINC001246947112 804613980 /nfs/dbraw/zinc/61/39/80/804613980.db2.gz VKNJLYLXKGUYFW-LSDHHAIUSA-N 1 1 258.425 3.498 20 30 CGEDMO C=CC1(CC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CCCCC1 ZINC001141750724 804667941 /nfs/dbraw/zinc/66/79/41/804667941.db2.gz SLCDSWZVQLLMNN-CVEARBPZSA-N 1 1 290.451 3.256 20 30 CGEDMO CC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)c(SC)n1 ZINC001141941469 804680113 /nfs/dbraw/zinc/68/01/13/804680113.db2.gz KYHDYDLICXVIPE-CQSZACIVSA-N 1 1 275.421 3.440 20 30 CGEDMO CSc1nc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)ccc1C#N ZINC001141941809 804680403 /nfs/dbraw/zinc/68/04/03/804680403.db2.gz YVBQRRABQUHCPP-SWLSCSKDSA-N 1 1 287.432 3.440 20 30 CGEDMO CSc1nc(C[N@@H+]2CCCC(F)(F)CC2)ccc1C#N ZINC001141928991 804680605 /nfs/dbraw/zinc/68/06/05/804680605.db2.gz GVIMSLZSNYYZFO-UHFFFAOYSA-N 1 1 297.374 3.296 20 30 CGEDMO CSc1nc(C[N@H+]2CCCC(F)(F)CC2)ccc1C#N ZINC001141928991 804680607 /nfs/dbraw/zinc/68/06/07/804680607.db2.gz GVIMSLZSNYYZFO-UHFFFAOYSA-N 1 1 297.374 3.296 20 30 CGEDMO CSc1nc(C[N@@H+](C)Cc2ccccc2O)ccc1C#N ZINC001141943851 804682292 /nfs/dbraw/zinc/68/22/92/804682292.db2.gz MYFWOHUWKRSVHL-UHFFFAOYSA-N 1 1 299.399 3.013 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCC[C@@H](C#N)CC2)c(Cl)n1 ZINC001142140103 804697567 /nfs/dbraw/zinc/69/75/67/804697567.db2.gz KXUOVUBBYICMJS-GFCCVEGCSA-N 1 1 263.772 3.169 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@@H](C#N)CC2)c(Cl)n1 ZINC001142140103 804697571 /nfs/dbraw/zinc/69/75/71/804697571.db2.gz KXUOVUBBYICMJS-GFCCVEGCSA-N 1 1 263.772 3.169 20 30 CGEDMO CC[N@@H+](CCC#N)[C@H]1CCO[C@H](c2ccccc2)C1 ZINC001256815510 806983857 /nfs/dbraw/zinc/98/38/57/806983857.db2.gz BCGJCGDZSMJKRT-HOTGVXAUSA-N 1 1 258.365 3.142 20 30 CGEDMO C#CC[C@H]([NH3+])c1nc(-c2ccc(C)c(C(F)(F)F)c2)no1 ZINC001247614233 804779925 /nfs/dbraw/zinc/77/99/25/804779925.db2.gz RNMBVLRCIMJQOC-NSHDSACASA-N 1 1 295.264 3.087 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH3+])c1nc(-c2ccccc2C(F)(F)F)no1 ZINC001247621736 804781464 /nfs/dbraw/zinc/78/14/64/804781464.db2.gz ZMAKSMXDQGGPBO-AMIZOPFISA-N 1 1 295.264 3.115 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH3+])c1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC001247621291 804781737 /nfs/dbraw/zinc/78/17/37/804781737.db2.gz QOUCEIVSVVPGFH-SJKOYZFVSA-N 1 1 283.375 3.394 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH3+])c1nc(-c2ccc(OC(C)(C)C)cc2)no1 ZINC001247620967 804781910 /nfs/dbraw/zinc/78/19/10/804781910.db2.gz CMPMVQGDTNCKAL-SJKOYZFVSA-N 1 1 299.374 3.274 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH3+])c1nc(-c2ccc3ccccc3c2)no1 ZINC001247621211 804781986 /nfs/dbraw/zinc/78/19/86/804781986.db2.gz JLZQKGSHASOWKG-RHSMWYFYSA-N 1 1 277.327 3.250 20 30 CGEDMO N#Cc1ccc2c(C[N@@H+]3CCC[C@@H](F)CC3)c[nH]c2c1 ZINC001142911871 804783421 /nfs/dbraw/zinc/78/34/21/804783421.db2.gz MNSXXCGFXYJQSI-CQSZACIVSA-N 1 1 271.339 3.364 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2ccc3c(c2)CCCC3=O)no1 ZINC001247622111 804783519 /nfs/dbraw/zinc/78/35/19/804783519.db2.gz GABADKBFEKMVBT-CQSZACIVSA-N 1 1 297.358 3.222 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2ccc(OC)c(Cl)c2)no1 ZINC001247621998 804783547 /nfs/dbraw/zinc/78/35/47/804783547.db2.gz CPMTUWHDAMPMOJ-LLVKDONJSA-N 1 1 293.754 3.365 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2cncc3ccccc32)no1 ZINC001247622962 804784884 /nfs/dbraw/zinc/78/48/84/804784884.db2.gz SYXFUQCUGIYPEZ-AWEZNQCLSA-N 1 1 280.331 3.251 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2ccc(-c3cnco3)cc2)no1 ZINC001247623154 804784900 /nfs/dbraw/zinc/78/49/00/804784900.db2.gz YICKYYSFNMJKQS-ZDUSSCGKSA-N 1 1 296.330 3.358 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)[C@H](C)C1 ZINC001142932029 804786597 /nfs/dbraw/zinc/78/65/97/804786597.db2.gz XHRCWFPDXPMYQW-DOMZBBRYSA-N 1 1 283.375 3.039 20 30 CGEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2cccnc2)no1 ZINC001247640602 804791669 /nfs/dbraw/zinc/79/16/69/804791669.db2.gz UWDLMZYWCVRMGT-ZDUSSCGKSA-N 1 1 272.352 3.268 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](c3ccncc3)C2)c1F ZINC001143171144 804813754 /nfs/dbraw/zinc/81/37/54/804813754.db2.gz ROEDJYJUNQJVOB-AWEZNQCLSA-N 1 1 299.324 3.221 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](c3ccncc3)C2)c1F ZINC001143171144 804813761 /nfs/dbraw/zinc/81/37/61/804813761.db2.gz ROEDJYJUNQJVOB-AWEZNQCLSA-N 1 1 299.324 3.221 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1c[nH]c2ccc(C(=O)OC)cc12 ZINC001143239837 804825122 /nfs/dbraw/zinc/82/51/22/804825122.db2.gz ZVGNZRVSNFEHAM-UHFFFAOYSA-N 1 1 286.375 3.353 20 30 CGEDMO C=CC[N@H+](C)Cc1cc(F)cc(OC(F)(F)F)c1 ZINC001143263361 804831744 /nfs/dbraw/zinc/83/17/44/804831744.db2.gz WZTBYMFPOWGOCV-UHFFFAOYSA-N 1 1 263.234 3.342 20 30 CGEDMO CC1(C)C[N@H+](Cc2c(Cl)cccc2C#N)[C@@](C)(CO)C1 ZINC001143716458 804887237 /nfs/dbraw/zinc/88/72/37/804887237.db2.gz PJPNZSTWVCLIFJ-MRXNPFEDSA-N 1 1 292.810 3.195 20 30 CGEDMO CC1(C)C[N@@H+](Cc2c(Cl)cccc2C#N)[C@@](C)(CO)C1 ZINC001143716458 804887245 /nfs/dbraw/zinc/88/72/45/804887245.db2.gz PJPNZSTWVCLIFJ-MRXNPFEDSA-N 1 1 292.810 3.195 20 30 CGEDMO N#Cc1ccc(C2CCC([N@H+]3CCO[C@@H]4C[C@@H]43)CC2)cc1 ZINC001257022959 807029347 /nfs/dbraw/zinc/02/93/47/807029347.db2.gz SAXFRBAQMPHAJV-ZGUYJTEBSA-N 1 1 282.387 3.058 20 30 CGEDMO COc1ccccc1[C@H](C)[N@H+](C)Cc1ccc(C#N)cn1 ZINC001144163320 804947243 /nfs/dbraw/zinc/94/72/43/804947243.db2.gz BBUXMTSSIHNRPB-ZDUSSCGKSA-N 1 1 281.359 3.155 20 30 CGEDMO COc1ccccc1[C@H](C)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC001144163320 804947249 /nfs/dbraw/zinc/94/72/49/804947249.db2.gz BBUXMTSSIHNRPB-ZDUSSCGKSA-N 1 1 281.359 3.155 20 30 CGEDMO CC[N@H+](CCC#N)Cc1cccc2nc(C)ccc12 ZINC001248565041 804953338 /nfs/dbraw/zinc/95/33/38/804953338.db2.gz HSZLWVAZQMZJKZ-UHFFFAOYSA-N 1 1 253.349 3.279 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1cccc2nc(C)ccc12 ZINC001248565041 804953344 /nfs/dbraw/zinc/95/33/44/804953344.db2.gz HSZLWVAZQMZJKZ-UHFFFAOYSA-N 1 1 253.349 3.279 20 30 CGEDMO Cc1ccc2c(C[N@@H+]3CCC[C@@H](C#N)C3)cccc2n1 ZINC001248568454 804954096 /nfs/dbraw/zinc/95/40/96/804954096.db2.gz DPODGOOBGSDLLZ-AWEZNQCLSA-N 1 1 265.360 3.279 20 30 CGEDMO Cc1ccc2c(C[N@H+]3CCC[C@@H](C#N)C3)cccc2n1 ZINC001248568454 804954100 /nfs/dbraw/zinc/95/41/00/804954100.db2.gz DPODGOOBGSDLLZ-AWEZNQCLSA-N 1 1 265.360 3.279 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@@H+](C)Cc1cccnc1 ZINC001248743475 804981405 /nfs/dbraw/zinc/98/14/05/804981405.db2.gz WVSBSZBCPOZDHW-UHFFFAOYSA-N 1 1 265.360 3.148 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC001248748354 804982246 /nfs/dbraw/zinc/98/22/46/804982246.db2.gz GVYPIXLPDJJJAQ-SFHVURJKSA-N 1 1 284.403 3.123 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001248748367 804982353 /nfs/dbraw/zinc/98/23/53/804982353.db2.gz HKGONWSMJSLDPZ-FUHWJXTLSA-N 1 1 284.403 3.122 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@@H+](C)Cc1cccc(O)c1 ZINC001248748500 804982386 /nfs/dbraw/zinc/98/23/86/804982386.db2.gz LUQSDCBSIHTYEO-UHFFFAOYSA-N 1 1 280.371 3.458 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2c[nH]c3nc(Cl)ccc23)CC1 ZINC001144415828 804984124 /nfs/dbraw/zinc/98/41/24/804984124.db2.gz NKUGOLGQDXCBRB-LLVKDONJSA-N 1 1 288.782 3.342 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001248751691 804984256 /nfs/dbraw/zinc/98/42/56/804984256.db2.gz GOLIFFZATKLBAJ-CQSZACIVSA-N 1 1 267.376 3.246 20 30 CGEDMO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C#N)CC2)c1 ZINC001144488835 804994946 /nfs/dbraw/zinc/99/49/46/804994946.db2.gz VUTBIHSJWFTPMT-GFCCVEGCSA-N 1 1 278.783 3.474 20 30 CGEDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C#N)CC2)c1 ZINC001144488835 804994952 /nfs/dbraw/zinc/99/49/52/804994952.db2.gz VUTBIHSJWFTPMT-GFCCVEGCSA-N 1 1 278.783 3.474 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CC[C@@H](c3ccncc3)C2)cc1 ZINC001144573981 805008357 /nfs/dbraw/zinc/00/83/57/805008357.db2.gz WXHRBSGYOCGJAO-GOSISDBHSA-N 1 1 262.356 3.052 20 30 CGEDMO C#Cc1ccc(CN(C)C2CC[NH+](CCCC)CC2)cc1 ZINC001144581509 805010763 /nfs/dbraw/zinc/01/07/63/805010763.db2.gz TYYDYBXITJLWBM-UHFFFAOYSA-N 1 1 284.447 3.364 20 30 CGEDMO CC(C)Sc1nccc(C[N@@H+]2CCC[C@H](C#N)CC2)n1 ZINC001248832642 805012961 /nfs/dbraw/zinc/01/29/61/805012961.db2.gz WPINPUVDJJPHFJ-ZDUSSCGKSA-N 1 1 290.436 3.103 20 30 CGEDMO CC(C)Sc1nccc(C[N@H+]2CCC[C@H](C#N)CC2)n1 ZINC001248832642 805012971 /nfs/dbraw/zinc/01/29/71/805012971.db2.gz WPINPUVDJJPHFJ-ZDUSSCGKSA-N 1 1 290.436 3.103 20 30 CGEDMO C#CC[NH+](CC#C)Cc1cc(Cl)c(C(C)(C)C)cc1O ZINC001248885432 805035163 /nfs/dbraw/zinc/03/51/63/805035163.db2.gz WQFQEHLARFHXIT-UHFFFAOYSA-N 1 1 289.806 3.412 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccc3scnc3c2)CC1 ZINC001144738699 805046674 /nfs/dbraw/zinc/04/66/74/805046674.db2.gz GSHPXAPQCZENGG-GFCCVEGCSA-N 1 1 271.389 3.422 20 30 CGEDMO Cc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)c(Cl)nc1C ZINC001249019398 805072087 /nfs/dbraw/zinc/07/20/87/805072087.db2.gz JYAHGFQPUSJLHD-ZDUSSCGKSA-N 1 1 277.799 3.478 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)c(Cl)nc1C ZINC001249019398 805072097 /nfs/dbraw/zinc/07/20/97/805072097.db2.gz JYAHGFQPUSJLHD-ZDUSSCGKSA-N 1 1 277.799 3.478 20 30 CGEDMO N#Cc1ccn2ncc(C[N@H+]3CCC[C@@H]4CCCC[C@@H]43)c2c1 ZINC001249107065 805091961 /nfs/dbraw/zinc/09/19/61/805091961.db2.gz QBWQVXBBLXIAJK-RDJZCZTQSA-N 1 1 294.402 3.361 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)CCC(C)C)C2)C1 ZINC001146965919 805100110 /nfs/dbraw/zinc/10/01/10/805100110.db2.gz OYEYTYGNVZWPJP-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)/C(C)=C\CC)C2)C1 ZINC001147106291 805110271 /nfs/dbraw/zinc/11/02/71/805110271.db2.gz OFWQUMOCTVFNBF-YMDFIQGPSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cnn(Cc2ccc(OC)cc2)c1 ZINC001249351552 805133254 /nfs/dbraw/zinc/13/32/54/805133254.db2.gz YZQOSKKAUVXBJX-UHFFFAOYSA-N 1 1 299.418 3.338 20 30 CGEDMO CC1(C)C[N@@H+](Cc2cc3ccc(C#N)cc3[nH]2)[C@](C)(CO)C1 ZINC001249427280 805147158 /nfs/dbraw/zinc/14/71/58/805147158.db2.gz XNFYXHQNPXZMFH-SFHVURJKSA-N 1 1 297.402 3.022 20 30 CGEDMO N#Cc1ccc2cc(C[N@H+]3CCC4(CCC4)C3)[nH]c2c1 ZINC001249429840 805147948 /nfs/dbraw/zinc/14/79/48/805147948.db2.gz RNLPJDNERUORTF-UHFFFAOYSA-N 1 1 265.360 3.416 20 30 CGEDMO CC(C)O[C@H]1CC[N@@H+](Cc2cc3ccc(C#N)cc3[nH]2)C1 ZINC001249430455 805148724 /nfs/dbraw/zinc/14/87/24/805148724.db2.gz SOKSYNKXKUHMKK-INIZCTEOSA-N 1 1 283.375 3.039 20 30 CGEDMO CC(C)(C)c1c[nH]c(C[N@H+]2CCC[C@@H](C#N)CC2)c1 ZINC001249479119 805157886 /nfs/dbraw/zinc/15/78/86/805157886.db2.gz PKQDVSWBQNEECK-CYBMUJFWSA-N 1 1 259.397 3.438 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(CN(C(=O)C/C=C(\C)C=C)C2)C1 ZINC001148052794 805160083 /nfs/dbraw/zinc/16/00/83/805160083.db2.gz HWHZQCXCGBPFDR-LZYBPNLTSA-N 1 1 288.435 3.009 20 30 CGEDMO C=CCCCC(=O)N1CC2(C1)CC[N@H+]([C@H](C)CCC=C)C2 ZINC001148199720 805167795 /nfs/dbraw/zinc/16/77/95/805167795.db2.gz QRZWEXGBPWNPMY-MRXNPFEDSA-N 1 1 290.451 3.232 20 30 CGEDMO N#Cc1c(F)ccc(F)c1Nc1cc[nH+]cc1C(F)(F)F ZINC001249592735 805185064 /nfs/dbraw/zinc/18/50/64/805185064.db2.gz AMPWETUOTKXMJV-UHFFFAOYSA-N 1 1 299.202 3.416 20 30 CGEDMO C#Cc1cc(Nc2cc[nH+]cc2C(F)(F)F)ccc1F ZINC001249590709 805185589 /nfs/dbraw/zinc/18/55/89/805185589.db2.gz ZADMLQSCQBURKO-UHFFFAOYSA-N 1 1 280.224 3.386 20 30 CGEDMO Cc1cc(Nc2cc(Cl)cc(C#N)c2)c[nH+]c1N ZINC001249791258 805250190 /nfs/dbraw/zinc/25/01/90/805250190.db2.gz WICXCKDLTYLSER-UHFFFAOYSA-N 1 1 258.712 3.241 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)c1ccsc1 ZINC001151792614 805312509 /nfs/dbraw/zinc/31/25/09/805312509.db2.gz NXRCULHGPNYTCE-CYBMUJFWSA-N 1 1 280.437 3.155 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1cc(F)cc(N(C)C)c1 ZINC001249953141 805322031 /nfs/dbraw/zinc/32/20/31/805322031.db2.gz MWPSNQBZMWWLKW-UHFFFAOYSA-N 1 1 277.387 3.407 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1cc(F)cc(N(C)C)c1 ZINC001249953141 805322035 /nfs/dbraw/zinc/32/20/35/805322035.db2.gz MWPSNQBZMWWLKW-UHFFFAOYSA-N 1 1 277.387 3.407 20 30 CGEDMO C=CCCC(=O)NC[C@@H](C)[N@H+](CC)CC(CC)CC ZINC001152313914 805344446 /nfs/dbraw/zinc/34/44/46/805344446.db2.gz ZRSYDPYXYVIJQR-CQSZACIVSA-N 1 1 268.445 3.215 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)C(F)=C(C)C ZINC001152701965 805362528 /nfs/dbraw/zinc/36/25/28/805362528.db2.gz NNMXPOMCDMCTTR-CYBMUJFWSA-N 1 1 270.392 3.043 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)c1c(C)coc1C ZINC001153097071 805383850 /nfs/dbraw/zinc/38/38/50/805383850.db2.gz ZGYBALOZEJVEGA-CQSZACIVSA-N 1 1 292.423 3.303 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)CCCC[C@H](C)CC ZINC001153571264 805403425 /nfs/dbraw/zinc/40/34/25/805403425.db2.gz VWFYEPTYAQCRAV-IAGOWNOFSA-N 1 1 294.483 3.443 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1cc(F)ccc1CC ZINC001154163070 805436734 /nfs/dbraw/zinc/43/67/34/805436734.db2.gz CXIMBJDANGLSJO-CYBMUJFWSA-N 1 1 292.398 3.014 20 30 CGEDMO C=CC(C)(C)CCCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001154223417 805440931 /nfs/dbraw/zinc/44/09/31/805440931.db2.gz IEXBIGGJCWTKGM-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)CC(CC)CC ZINC001154606046 805467451 /nfs/dbraw/zinc/46/74/51/805467451.db2.gz YJQMXKKWZQUKEZ-CQSZACIVSA-N 1 1 282.472 3.461 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)CCC1CC1 ZINC001154743102 805481144 /nfs/dbraw/zinc/48/11/44/805481144.db2.gz TZRVQRJKOMMJLH-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)CC(C)C ZINC001154751278 805482873 /nfs/dbraw/zinc/48/28/73/805482873.db2.gz SWXNYLJRXKXLEG-LSDHHAIUSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(F)c(Cl)c1 ZINC001154914064 805506999 /nfs/dbraw/zinc/50/69/99/805506999.db2.gz HCLNECHBXATDJP-LLVKDONJSA-N 1 1 298.789 3.105 20 30 CGEDMO C=CCCCC(=O)NC[C@@H](C)[N@@H+](CC)CC1CCCC1 ZINC001154927588 805509918 /nfs/dbraw/zinc/50/99/18/805509918.db2.gz NTNDEOCOKAUTMV-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccccc1 ZINC001154958031 805513809 /nfs/dbraw/zinc/51/38/09/805513809.db2.gz XEODZLLXXRAFLT-MRXNPFEDSA-N 1 1 288.435 3.370 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1CCC ZINC001155119080 805541515 /nfs/dbraw/zinc/54/15/15/805541515.db2.gz IAGQKPYSOQQOSY-BZUAXINKSA-N 1 1 280.456 3.215 20 30 CGEDMO N#CC1(CN[C@H]2CCC[N@H+](C3CCCC3)C2)CCCC1 ZINC001256894387 806999675 /nfs/dbraw/zinc/99/96/75/806999675.db2.gz IIXMLYVLROJYKE-HNNXBMFYSA-N 1 1 275.440 3.067 20 30 CGEDMO N#CC1(C[NH2+][C@H]2CCCN(C3CCCC3)C2)CCCC1 ZINC001256894387 806999678 /nfs/dbraw/zinc/99/96/78/806999678.db2.gz IIXMLYVLROJYKE-HNNXBMFYSA-N 1 1 275.440 3.067 20 30 CGEDMO Cc1cc2c[nH+]c(NC(C)(C)c3ccc(C#N)cc3)nc2[nH]1 ZINC001165734904 807017281 /nfs/dbraw/zinc/01/72/81/807017281.db2.gz QUGTXGKUFAMFAH-UHFFFAOYSA-N 1 1 291.358 3.437 20 30 CGEDMO C[C@@]1(CO)CC[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257016344 807027433 /nfs/dbraw/zinc/02/74/33/807027433.db2.gz AKACKZIDMYFPIA-CTWPCTMYSA-N 1 1 298.430 3.289 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001257140778 807054982 /nfs/dbraw/zinc/05/49/82/807054982.db2.gz WQLGMVHMSORFDA-KBPBESRZSA-N 1 1 282.428 3.282 20 30 CGEDMO CC(C)N1CCC([NH2+][C@@H]2CCc3c2cccc3C#N)CC1 ZINC001257209937 807060438 /nfs/dbraw/zinc/06/04/38/807060438.db2.gz CYQXYXNJRDKXLK-GOSISDBHSA-N 1 1 283.419 3.008 20 30 CGEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](C1CCCCC1)C2 ZINC001257457490 807166752 /nfs/dbraw/zinc/16/67/52/807166752.db2.gz HUXCAFAODUPARM-DLBZAZTESA-N 1 1 279.424 3.145 20 30 CGEDMO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](C1CCCCC1)C2 ZINC001257457491 807167111 /nfs/dbraw/zinc/16/71/11/807167111.db2.gz HUXCAFAODUPARM-IAGOWNOFSA-N 1 1 279.424 3.145 20 30 CGEDMO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](C1CCCCC1)C2 ZINC001257457967 807167116 /nfs/dbraw/zinc/16/71/16/807167116.db2.gz ORJVQRRNRZHSEC-MSOLQXFVSA-N 1 1 293.451 3.393 20 30 CGEDMO COC(=O)CC[N@@H+](CCC1(C#N)CCCCC1)CC(C)C ZINC001167258876 807172789 /nfs/dbraw/zinc/17/27/89/807172789.db2.gz INKMKBFMSYDIEP-UHFFFAOYSA-N 1 1 294.439 3.372 20 30 CGEDMO C#CC[N@H+](C[C@@H]1CCC(C)(C)CO1)C1CCCCC1 ZINC001167273894 807174482 /nfs/dbraw/zinc/17/44/82/807174482.db2.gz TXCMOKHQOBJBIU-INIZCTEOSA-N 1 1 263.425 3.460 20 30 CGEDMO C=CCCCCC[N@H+](C)CCNC(=O)OC(C)(C)C ZINC001167461228 807194283 /nfs/dbraw/zinc/19/42/83/807194283.db2.gz CHEZJJICWODNSD-UHFFFAOYSA-N 1 1 270.417 3.189 20 30 CGEDMO C=C1CC=C(F)C=C1[NH2+]C1CCC(C(=O)OC)CC1 ZINC001257857861 807228349 /nfs/dbraw/zinc/22/83/49/807228349.db2.gz FBTKYYNQNROBPV-UHFFFAOYSA-N 1 1 265.328 3.005 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCOC[C@@H]3C3CC3)C[C@H](C1)C2 ZINC001257894495 807243612 /nfs/dbraw/zinc/24/36/12/807243612.db2.gz XNGMWFDZPFMSAX-BBJBPXSTSA-N 1 1 261.409 3.232 20 30 CGEDMO CC#Cc1cncc(NCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC001167754073 807244225 /nfs/dbraw/zinc/24/42/25/807244225.db2.gz USDMWJFZYVKEEJ-HNNXBMFYSA-N 1 1 271.408 3.129 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3C[C@@H]4[C@H]5CC[C@H](O5)[C@@H]4C3)C[C@H](C1)C2 ZINC001257894892 807244383 /nfs/dbraw/zinc/24/43/83/807244383.db2.gz BNXTVRXJYKPIOI-YRERRQKFSA-N 1 1 273.420 3.231 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCC[C@H](n4ccnn4)C3)C[C@H](C1)C2 ZINC001257894545 807244400 /nfs/dbraw/zinc/24/44/00/807244400.db2.gz ZELJVHKRCDULHS-TVXGVJEUSA-N 1 1 286.423 3.050 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3C[C@H]4C[C@@]4(CN(C)C)C3)C[C@H](C1)C2 ZINC001257895002 807244748 /nfs/dbraw/zinc/24/47/48/807244748.db2.gz HDUMULOTFLGLKP-YUGHNKOSSA-N 1 1 274.452 3.005 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3C[C@H]4C[C@@]4(CN(C)C)C3)C[C@H](C1)C2 ZINC001257895002 807244752 /nfs/dbraw/zinc/24/47/52/807244752.db2.gz HDUMULOTFLGLKP-YUGHNKOSSA-N 1 1 274.452 3.005 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CC[C@H](c4nc(C)no4)C3)C[C@H](C1)C2 ZINC001257895206 807244805 /nfs/dbraw/zinc/24/48/05/807244805.db2.gz LJUASGRRPQQNNX-QGPPMGRFSA-N 1 1 287.407 3.302 20 30 CGEDMO C=C1C[C@@H]2CC(N3CCC[C@@H]4C[N@H+](C)C[C@H]43)C[C@H](C1)C2 ZINC001257895532 807245370 /nfs/dbraw/zinc/24/53/70/807245370.db2.gz SLSURXDQFMOHMU-YUGHNKOSSA-N 1 1 274.452 3.147 20 30 CGEDMO C=C1C[C@@H]2CC(N3CC[C@H]4CC[C@@H](C3)[N@H+]4C)C[C@H](C1)C2 ZINC001257895025 807245402 /nfs/dbraw/zinc/24/54/02/807245402.db2.gz HWUDBAVYKHDEPG-WXCOAYGQSA-N 1 1 274.452 3.290 20 30 CGEDMO Cc1[nH+]c(N)ccc1CNc1ccc2c(C#N)nccc2c1 ZINC001167787211 807252349 /nfs/dbraw/zinc/25/23/49/807252349.db2.gz UJKOLFNYZOCODU-UHFFFAOYSA-N 1 1 289.342 3.004 20 30 CGEDMO Cc1[nH+]c(N)ccc1CNc1nc(C(C)(C)C)ccc1C#N ZINC001167786546 807252388 /nfs/dbraw/zinc/25/23/88/807252388.db2.gz QONLBYBIYAPBNH-UHFFFAOYSA-N 1 1 295.390 3.149 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+]([C@H]2COc3ccc(Cl)cc3C2)CC1 ZINC001257968365 807259386 /nfs/dbraw/zinc/25/93/86/807259386.db2.gz LEVYPCPJPJHLJC-IUODEOHRSA-N 1 1 290.794 3.269 20 30 CGEDMO N#C[C@@H]1CCC[N@H+]([C@H]2COc3ccc(Cl)cc3C2)CC1 ZINC001257968365 807259388 /nfs/dbraw/zinc/25/93/88/807259388.db2.gz LEVYPCPJPJHLJC-IUODEOHRSA-N 1 1 290.794 3.269 20 30 CGEDMO CCCCCCC[C@@H](C)[NH2+]C1(C(=O)OC)CCOCC1 ZINC001258040744 807270806 /nfs/dbraw/zinc/27/08/06/807270806.db2.gz HZDUXGVUMKSURO-CQSZACIVSA-N 1 1 285.428 3.047 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1CCOC[C@@H]1COC ZINC001258049736 807274935 /nfs/dbraw/zinc/27/49/35/807274935.db2.gz NYKWUTZJAJJFPY-CABCVRRESA-N 1 1 257.418 3.083 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CCN(C(C)=O)[C@H](C)C1 ZINC001258049208 807275957 /nfs/dbraw/zinc/27/59/57/807275957.db2.gz BNCIYVZLCQBSCT-LSDHHAIUSA-N 1 1 268.445 3.288 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CCOC[C@H]1CCC(=O)OC ZINC001258052290 807278197 /nfs/dbraw/zinc/27/81/97/807278197.db2.gz NXWRKKWAOGSLPP-JKSUJKDBSA-N 1 1 299.455 3.389 20 30 CGEDMO N#Cc1ccccc1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167964385 807288705 /nfs/dbraw/zinc/28/87/05/807288705.db2.gz QGRVVYXMLGMVJE-YQQQUEKLSA-N 1 1 295.430 3.053 20 30 CGEDMO C#CC1(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CCCCC1 ZINC001167979290 807291080 /nfs/dbraw/zinc/29/10/80/807291080.db2.gz ZPFYVJRJWUVSRK-AYHJJNSGSA-N 1 1 286.463 3.318 20 30 CGEDMO C#CC1(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCCCC1 ZINC001167979290 807291085 /nfs/dbraw/zinc/29/10/85/807291085.db2.gz ZPFYVJRJWUVSRK-AYHJJNSGSA-N 1 1 286.463 3.318 20 30 CGEDMO CCCC[N@@H+](CCC#N)[C@H](C)CCCC(=O)OCC ZINC001258127966 807317579 /nfs/dbraw/zinc/31/75/79/807317579.db2.gz XTYWAJCDVSAZGB-CQSZACIVSA-N 1 1 268.401 3.124 20 30 CGEDMO C[C@H]1CC([N@H+]2CCC3SC(=O)C=C3C2)C[C@H](C)C1 ZINC001258160210 807329409 /nfs/dbraw/zinc/32/94/09/807329409.db2.gz RHPJYEPQNNOGOF-JTNHKYCSSA-N 1 1 265.422 3.085 20 30 CGEDMO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](C1CCC(C)CC1)C2 ZINC001168216956 807353468 /nfs/dbraw/zinc/35/34/68/807353468.db2.gz GEVBTENWHKDPOD-HIEASXQVSA-N 1 1 293.451 3.391 20 30 CGEDMO CCCCCCCCC[C@H](C)[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC001258228686 807377014 /nfs/dbraw/zinc/37/70/14/807377014.db2.gz JNHUDOQXCCPDQM-GVDBMIGSSA-N 1 1 285.472 3.191 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001168440571 807416154 /nfs/dbraw/zinc/41/61/54/807416154.db2.gz JOWRSEWQAVPYSK-CXAGYDPISA-N 1 1 257.352 3.028 20 30 CGEDMO C=CC[N@H+]([C@@H](C)CCC(=O)OC)C1CCCCC1 ZINC001258378366 807433061 /nfs/dbraw/zinc/43/30/61/807433061.db2.gz AYFKGTAWKALXCH-ZDUSSCGKSA-N 1 1 253.386 3.149 20 30 CGEDMO C[C@@H](Cc1cccc(F)c1)[N@H+]1CCC[C@H](C#N)CC1 ZINC001168497092 807436193 /nfs/dbraw/zinc/43/61/93/807436193.db2.gz MOBSBJJNWBNRNQ-KBPBESRZSA-N 1 1 260.356 3.382 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](C2CCN(c3cccc(F)c3)CC2)C1 ZINC001258424654 807445946 /nfs/dbraw/zinc/44/59/46/807445946.db2.gz LHLBLTBPUIKMOM-OAHLLOKOSA-N 1 1 286.394 3.140 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)CCC(=O)OCC ZINC001258498059 807480354 /nfs/dbraw/zinc/48/03/54/807480354.db2.gz HPDYDTJGFCVJAC-OAHLLOKOSA-N 1 1 275.392 3.406 20 30 CGEDMO C[C@@H](Cc1cccnc1)[N@@H+](CCC#N)C1CCCC1 ZINC001258628167 807516997 /nfs/dbraw/zinc/51/69/97/807516997.db2.gz NTCFYHMMNXLLDI-AWEZNQCLSA-N 1 1 257.381 3.171 20 30 CGEDMO CCCCCCCC[N@@H+](CCN)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168987266 807546954 /nfs/dbraw/zinc/54/69/54/807546954.db2.gz HUCJHZRNDITPMM-JKSUJKDBSA-N 1 1 299.459 3.053 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169028946 807555425 /nfs/dbraw/zinc/55/54/25/807555425.db2.gz SXSABENUQQDKFG-UONOGXRCSA-N 1 1 256.390 3.334 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001258725566 807573916 /nfs/dbraw/zinc/57/39/16/807573916.db2.gz MHDJBLFPMPIXBA-ZQDZILKHSA-N 1 1 294.439 3.044 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCc2cc3c(cc2C1)OCO3 ZINC001258725841 807573962 /nfs/dbraw/zinc/57/39/62/807573962.db2.gz NRBFKDXHADTMDQ-GFCCVEGCSA-N 1 1 259.349 3.128 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCn2cnc(COCC=C)c2C1 ZINC001258727157 807574639 /nfs/dbraw/zinc/57/46/39/807574639.db2.gz FSZBQDSXHHUABN-HNNXBMFYSA-N 1 1 289.423 3.146 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](OC(=O)OC(C)(C)C)C1 ZINC001258726522 807574671 /nfs/dbraw/zinc/57/46/71/807574671.db2.gz UAVFRSVYIXUBNV-QWHCGFSZSA-N 1 1 269.385 3.367 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC001258730713 807577842 /nfs/dbraw/zinc/57/78/42/807577842.db2.gz MKTMPKKXVVLMDD-ZDUSSCGKSA-N 1 1 271.408 3.109 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001258732927 807579123 /nfs/dbraw/zinc/57/91/23/807579123.db2.gz FBSWYKMYUFAAOE-QRQLOZEOSA-N 1 1 284.447 3.405 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001258732927 807579137 /nfs/dbraw/zinc/57/91/37/807579137.db2.gz FBSWYKMYUFAAOE-QRQLOZEOSA-N 1 1 284.447 3.405 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001258732927 807579140 /nfs/dbraw/zinc/57/91/40/807579140.db2.gz FBSWYKMYUFAAOE-QRQLOZEOSA-N 1 1 284.447 3.405 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCN2CCc3ccccc3[C@@H]2C1 ZINC001258733033 807579382 /nfs/dbraw/zinc/57/93/82/807579382.db2.gz UJTXBFZMHHHYBS-QAPCUYQASA-N 1 1 270.420 3.256 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](CCC)C1CCN(C(C)=O)CC1 ZINC001258733265 807579679 /nfs/dbraw/zinc/57/96/79/807579679.db2.gz YFEHQBGHYTXZEK-CQSZACIVSA-N 1 1 266.429 3.064 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC001258734458 807580298 /nfs/dbraw/zinc/58/02/98/807580298.db2.gz YILSGSFYAYVUHA-KBPBESRZSA-N 1 1 267.413 3.395 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC001258734818 807580763 /nfs/dbraw/zinc/58/07/63/807580763.db2.gz KBYLHEDTZMIZNT-KBPBESRZSA-N 1 1 282.428 3.330 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC001258736279 807581718 /nfs/dbraw/zinc/58/17/18/807581718.db2.gz PURPDTHHPMZCDO-MCIONIFRSA-N 1 1 282.428 3.329 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](Oc2ccncc2)C1 ZINC001258735741 807582354 /nfs/dbraw/zinc/58/23/54/807582354.db2.gz AQLUGPVCZOAMEQ-HOCLYGCPSA-N 1 1 260.381 3.280 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](Oc2cccc(C)n2)C1 ZINC001258736192 807582576 /nfs/dbraw/zinc/58/25/76/807582576.db2.gz NZLXKXWCQOVIAW-LSDHHAIUSA-N 1 1 260.381 3.198 20 30 CGEDMO C=CCN(Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169147064 807591847 /nfs/dbraw/zinc/59/18/47/807591847.db2.gz SMBDFOPBVCJWTK-BCDXTJNWSA-N 1 1 270.420 3.300 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169147064 807591872 /nfs/dbraw/zinc/59/18/72/807591872.db2.gz SMBDFOPBVCJWTK-BCDXTJNWSA-N 1 1 270.420 3.300 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169147064 807591880 /nfs/dbraw/zinc/59/18/80/807591880.db2.gz SMBDFOPBVCJWTK-BCDXTJNWSA-N 1 1 270.420 3.300 20 30 CGEDMO C=CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC001258807459 807627043 /nfs/dbraw/zinc/62/70/43/807627043.db2.gz JFCMBGJSTUNFMM-KFWWJZLASA-N 1 1 267.413 3.299 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169784983 807708522 /nfs/dbraw/zinc/70/85/22/807708522.db2.gz QRJSIXBEQGNEJY-QGZVFWFLSA-N 1 1 286.419 3.189 20 30 CGEDMO Cc1cc(NCc2ccc(C#N)c(F)c2)c2[nH+]ccn2c1 ZINC001170094407 807757087 /nfs/dbraw/zinc/75/70/87/807757087.db2.gz MPRXPRFTQPPYLA-UHFFFAOYSA-N 1 1 280.306 3.266 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1CC[C@H](c2ccccc2)C1=O ZINC001261656119 807773558 /nfs/dbraw/zinc/77/35/58/807773558.db2.gz PVZNMYRTAKSVKK-FGTMMUONSA-N 1 1 296.414 3.143 20 30 CGEDMO C=C[C@H](CC)CC(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC001262354747 807852666 /nfs/dbraw/zinc/85/26/66/807852666.db2.gz VZTIXNMPUVQXQJ-CYBMUJFWSA-N 1 1 284.363 3.117 20 30 CGEDMO CC1(C)[C@@H]2C[C@@H]([N@H+]3CCc4cc(C#N)ccc4C3)C[C@@H]21 ZINC001170744934 807896180 /nfs/dbraw/zinc/89/61/80/807896180.db2.gz BUHKJEWCTNCQAG-OSYLJGHBSA-N 1 1 266.388 3.351 20 30 CGEDMO CC(C)CN1CCC([NH2+][C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171191800 808005225 /nfs/dbraw/zinc/00/52/25/808005225.db2.gz FPZPIWWSZGMGGO-INIZCTEOSA-N 1 1 299.462 3.199 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)C(=C)C ZINC001263804889 808006341 /nfs/dbraw/zinc/00/63/41/808006341.db2.gz JASWROGNOVNADJ-HNNXBMFYSA-N 1 1 278.440 3.088 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCCC[C@@H](F)C1 ZINC001171203726 808009122 /nfs/dbraw/zinc/00/91/22/808009122.db2.gz PGYAFILBEHMSNY-CZUORRHYSA-N 1 1 260.356 3.313 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)C1CC(F)(F)C1 ZINC001171203466 808009627 /nfs/dbraw/zinc/00/96/27/808009627.db2.gz MLVVPOAWXZGJAX-NSHDSACASA-N 1 1 264.319 3.219 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC2(CCC2)C1 ZINC001171224465 808012332 /nfs/dbraw/zinc/01/23/32/808012332.db2.gz SBZSWJMXEXIFFZ-CQSZACIVSA-N 1 1 254.377 3.365 20 30 CGEDMO COCC[C@H]1CCCC[N@H+]1[C@@H](C)Cc1cccc(C#N)c1 ZINC001171221866 808012712 /nfs/dbraw/zinc/01/27/12/808012712.db2.gz WICHEUZPZJCUJR-MAUKXSAKSA-N 1 1 286.419 3.380 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1C[C@@H](C)CC12CC2 ZINC001171230043 808013756 /nfs/dbraw/zinc/01/37/56/808013756.db2.gz RVDYDOJRZHPKRQ-KBPBESRZSA-N 1 1 254.377 3.364 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)CC)[C@H]1CC ZINC001264050492 808030706 /nfs/dbraw/zinc/03/07/06/808030706.db2.gz PMDYVYTUKWBLNJ-OWCLPIDISA-N 1 1 280.456 3.358 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@H]1CC[N@@H+](C/C=C/Cl)[C@@H]1CC ZINC001264060449 808030758 /nfs/dbraw/zinc/03/07/58/808030758.db2.gz BOUCSLNUOIRBOW-URVPNVIXSA-N 1 1 298.858 3.310 20 30 CGEDMO C=CCOc1ccccc1[C@@H](C)Nc1cc[nH+]c(OC)c1N ZINC001171373033 808038382 /nfs/dbraw/zinc/03/83/82/808038382.db2.gz PBQUMIHPBHEMSP-GFCCVEGCSA-N 1 1 299.374 3.410 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)CCCC)[C@H]1C ZINC001264139406 808040274 /nfs/dbraw/zinc/04/02/74/808040274.db2.gz MSMOKXMOCNZWIL-XHSDSOJGSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)CC/C=C\c2ccccc2)[C@H]1C ZINC001264160171 808040938 /nfs/dbraw/zinc/04/09/38/808040938.db2.gz GWGDLYFYKXZSCC-AQOIUKNXSA-N 1 1 298.430 3.245 20 30 CGEDMO N#CC[C@H]1CCC[N@H+]([C@@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001171380916 808041113 /nfs/dbraw/zinc/04/11/13/808041113.db2.gz POTOUJBEJXDEIY-IUODEOHRSA-N 1 1 290.357 3.448 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@]23C[C@@H]2CCCC3)[C@H]1C ZINC001264160233 808041213 /nfs/dbraw/zinc/04/12/13/808041213.db2.gz JBZZAKLLCRULEP-CVYDXHPNSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)/C(C)=C\C ZINC001264180551 808044526 /nfs/dbraw/zinc/04/45/26/808044526.db2.gz IJJSILJELRSGHG-PJVYJYFWSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCCCC(=O)N(C)C[C@H]1CC[N@H+]1CC1CCCCC1 ZINC001264369504 808061433 /nfs/dbraw/zinc/06/14/33/808061433.db2.gz XWRAHKAZUSWZQI-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(CC(C)C)CCC1 ZINC001264364514 808061496 /nfs/dbraw/zinc/06/14/96/808061496.db2.gz DFIZIUFOSIRYKC-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(CC)CCCC1 ZINC001264376243 808064331 /nfs/dbraw/zinc/06/43/31/808064331.db2.gz FKWXREYWYAKVJN-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)CC(C)C)[C@H]1CC ZINC001264622190 808082485 /nfs/dbraw/zinc/08/24/85/808082485.db2.gz BDLIGXQLUNZYGH-IXDOHACOSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CCC[N@H+](C)CCCNC(=O)c1sccc1C(C)C ZINC001265071601 808107839 /nfs/dbraw/zinc/10/78/39/808107839.db2.gz QBIJMPAJNLHJBD-UHFFFAOYSA-N 1 1 294.464 3.499 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001265124525 808110756 /nfs/dbraw/zinc/11/07/56/808110756.db2.gz HYCGOYFDZHMRNQ-BJWYYQGGSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[N@@H+](CCCNC(=O)C1CC2(CCC2)C1)C1CC1 ZINC001265170879 808115918 /nfs/dbraw/zinc/11/59/18/808115918.db2.gz FCSGNYNZMNEGRP-UHFFFAOYSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)C2(C)CCC2)C1 ZINC001265220635 808121154 /nfs/dbraw/zinc/12/11/54/808121154.db2.gz NWXPUPPPCGRQBP-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@H+](CC(CC)CC)C1 ZINC001265305863 808129291 /nfs/dbraw/zinc/12/92/91/808129291.db2.gz FKEUFIBAKQIIEN-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C[C@H]1C[C@@H](N2CCC(S)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171761583 808132235 /nfs/dbraw/zinc/13/22/35/808132235.db2.gz DLPSLLDYPCFFNJ-GOEBONIOSA-N 1 1 290.476 3.044 20 30 CGEDMO C[C@H]1C[C@@H](N2CCC(S)CC2)C[N@H+]1Cc1ccccc1 ZINC001171761583 808132237 /nfs/dbraw/zinc/13/22/37/808132237.db2.gz DLPSLLDYPCFFNJ-GOEBONIOSA-N 1 1 290.476 3.044 20 30 CGEDMO CCCCN(CC#N)[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171759957 808132262 /nfs/dbraw/zinc/13/22/62/808132262.db2.gz ORBDQQRBBMEXJJ-SJLPKXTDSA-N 1 1 285.435 3.275 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)C[C@H]2C=CCC2)C1 ZINC001265384942 808137074 /nfs/dbraw/zinc/13/70/74/808137074.db2.gz SHRGMGIPOBLLEM-DLBZAZTESA-N 1 1 290.451 3.089 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1Cc2cccc(F)c2C1 ZINC001171801701 808142969 /nfs/dbraw/zinc/14/29/69/808142969.db2.gz QWGLGGYBKJVWMO-MRXNPFEDSA-N 1 1 280.346 3.297 20 30 CGEDMO C[C@H](C#N)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077038 808170014 /nfs/dbraw/zinc/17/00/14/808170014.db2.gz ONGJWOMZEMVXCT-DDBAPUKQSA-N 1 1 283.419 3.074 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccoc2)C1 ZINC001265696979 808170117 /nfs/dbraw/zinc/17/01/17/808170117.db2.gz NAGOLQZYCKVREO-GJZGRUSLSA-N 1 1 290.407 3.076 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC2=CCCCC2)C1 ZINC001265700710 808171127 /nfs/dbraw/zinc/17/11/27/808171127.db2.gz UWWMUMQIGGLOCO-NVXWUHKLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@H+]([C@H]1C[C@H]2CCC[C@@H](C1)N2C)C(C)(C)C ZINC001172131282 808188037 /nfs/dbraw/zinc/18/80/37/808188037.db2.gz VTOLQEBZUUPTNE-FICVDOATSA-N 1 1 250.430 3.288 20 30 CGEDMO C=C(C)C[N@H+](C)CCCNC(=O)c1ccc(C(C)C)cc1 ZINC001265959638 808196999 /nfs/dbraw/zinc/19/69/99/808196999.db2.gz YKAKVXXQDXZWHH-UHFFFAOYSA-N 1 1 288.435 3.438 20 30 CGEDMO CCCCCCCC[N@@H+](CCN)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172224879 808203303 /nfs/dbraw/zinc/20/33/03/808203303.db2.gz XILRTTKXMOENPC-ALOPSCKCSA-N 1 1 282.472 3.318 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)C2CCCCC2)C1 ZINC001266090968 808209620 /nfs/dbraw/zinc/20/96/20/808209620.db2.gz WBBDRJQSBMCFOJ-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@@H+](CCCNC(=O)C1CC2(CC2)C1)C1CC1 ZINC001266159457 808221627 /nfs/dbraw/zinc/22/16/27/808221627.db2.gz QIKDTEXMXYLFCX-UHFFFAOYSA-N 1 1 290.451 3.114 20 30 CGEDMO Cc1cnc2c(c1)C[N@@H+]([C@@H](C)Cc1ccc(C#N)cc1)CC2 ZINC001172313018 808224631 /nfs/dbraw/zinc/22/46/31/808224631.db2.gz NQVPQKIVQSPJOE-HNNXBMFYSA-N 1 1 291.398 3.251 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@](C)(CF)C1 ZINC001172316278 808226312 /nfs/dbraw/zinc/22/63/12/808226312.db2.gz QZNQOEHFCFMDLR-CJNGLKHVSA-N 1 1 260.356 3.171 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)C[C@@H]1CC1(C)C ZINC001172319573 808229314 /nfs/dbraw/zinc/22/93/14/808229314.db2.gz OXBCVXSMCNMCJE-CJNGLKHVSA-N 1 1 256.393 3.467 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC001172354488 808251166 /nfs/dbraw/zinc/25/11/66/808251166.db2.gz HUMBOXZCWOYHEA-LSDHHAIUSA-N 1 1 282.428 3.262 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)c1cccs1 ZINC001266372106 808251604 /nfs/dbraw/zinc/25/16/04/808251604.db2.gz QNFVEIKETCSSQX-ZDUSSCGKSA-N 1 1 280.437 3.155 20 30 CGEDMO CCCCCCC[C@@H](CC)[NH+]1CC(N2CCN(C)CC2)C1 ZINC001172359749 808253961 /nfs/dbraw/zinc/25/39/61/808253961.db2.gz CWZBZYOUXRYBTI-QGZVFWFLSA-N 1 1 295.515 3.057 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H]1CNC(=O)CC1CCCCC1 ZINC001266446143 808265985 /nfs/dbraw/zinc/26/59/85/808265985.db2.gz BKYQVYSSBFPXJJ-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)CCC(=C)C)C1 ZINC001266459820 808268999 /nfs/dbraw/zinc/26/89/99/808268999.db2.gz TYACRVZMQJIVLR-MRXNPFEDSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)C1CCCC1 ZINC001266468663 808271073 /nfs/dbraw/zinc/27/10/73/808271073.db2.gz VJGDNESWZOUKKP-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)C1(C)CC=CC1 ZINC001266479663 808273051 /nfs/dbraw/zinc/27/30/51/808273051.db2.gz AFPCMWDQAUAYFD-HOTGVXAUSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@H]2CCC[N@@H+]2CC/C=C/CC)C1 ZINC001266482574 808274352 /nfs/dbraw/zinc/27/43/52/808274352.db2.gz DPFMWDDLCALUOC-SQRWCISFSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]2C[N@@H+](CC3CC3)CC[C@H]21 ZINC001266659908 808303640 /nfs/dbraw/zinc/30/36/40/808303640.db2.gz RZWXYNUANZDYCP-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC12CCC2 ZINC001266855904 808324944 /nfs/dbraw/zinc/32/49/44/808324944.db2.gz HTMWBFGCNSNHNI-JKSUJKDBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001266896096 808333513 /nfs/dbraw/zinc/33/35/13/808333513.db2.gz WXAFEYDFPGLVOB-JKSUJKDBSA-N 1 1 292.467 3.215 20 30 CGEDMO C[C@H](CCCC#N)[NH2+]CC(F)(F)C(F)(F)C(F)(F)F ZINC001172480063 808343607 /nfs/dbraw/zinc/34/36/07/808343607.db2.gz MIGKINFGJOSKOL-SSDOTTSWSA-N 1 1 294.214 3.491 20 30 CGEDMO C#CCCCCCC(=O)N1CCC[C@@H]([N@H+](C)CC(C)C)C1 ZINC001267109279 808359107 /nfs/dbraw/zinc/35/91/07/808359107.db2.gz ULCBOMLERGFTEB-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCC(=O)[C@H](C)C12CCCC2 ZINC001172506487 808361814 /nfs/dbraw/zinc/36/18/14/808361814.db2.gz UVDVWGRXYVTPJT-KBPBESRZSA-N 1 1 262.397 3.292 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CC[C@@H]1COCc1ccccc1 ZINC001172507053 808362096 /nfs/dbraw/zinc/36/20/96/808362096.db2.gz OGYCLIVSNWDKIP-DOTOQJQBSA-N 1 1 272.392 3.360 20 30 CGEDMO COc1ccccc1O[C@@H]1CC[N@H+]([C@@H](C)CCCC#N)C1 ZINC001172507461 808364289 /nfs/dbraw/zinc/36/42/89/808364289.db2.gz UZOJMBSHFVZFGX-LSDHHAIUSA-N 1 1 288.391 3.231 20 30 CGEDMO COc1cccc2c1CC[N@H+]([C@@H](C)CCCC#N)C2 ZINC001172510282 808367083 /nfs/dbraw/zinc/36/70/83/808367083.db2.gz YZSOEZQMTHPSDS-ZDUSSCGKSA-N 1 1 258.365 3.136 20 30 CGEDMO C=CCCC(=O)NCC[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001267188087 808376647 /nfs/dbraw/zinc/37/66/47/808376647.db2.gz DHMXLANATFWLTP-ZDUSSCGKSA-N 1 1 294.826 3.415 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)C(F)=C1CCCC1 ZINC001267193069 808377082 /nfs/dbraw/zinc/37/70/82/808377082.db2.gz XBROVSFRFCXSON-ZDUSSCGKSA-N 1 1 282.403 3.187 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)C1(C2CCC2)CCC1 ZINC001267209063 808380957 /nfs/dbraw/zinc/38/09/57/808380957.db2.gz IJEIRQFKRSPCEN-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+](C)CCNC(=O)c1ccc(CCCC)cc1 ZINC001267206122 808381925 /nfs/dbraw/zinc/38/19/25/808381925.db2.gz NTEVWOMDBYHUNG-UHFFFAOYSA-N 1 1 288.435 3.267 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)[C@@H]1CCCC[C@H]1C1CC1 ZINC001267209777 808382383 /nfs/dbraw/zinc/38/23/83/808382383.db2.gz LJOSXNANHMWGBW-DLBZAZTESA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCNC(=O)c1cc(C)c(F)c(C)c1 ZINC001267230120 808388767 /nfs/dbraw/zinc/38/87/67/808388767.db2.gz IQCKIBNKGYTXJD-UHFFFAOYSA-N 1 1 292.398 3.070 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1coc(C)c1 ZINC001267266276 808400568 /nfs/dbraw/zinc/40/05/68/808400568.db2.gz IOAROAOFCMZIEU-BBRMVZONSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+]1CCC1CCCC1 ZINC001267272056 808401238 /nfs/dbraw/zinc/40/12/38/808401238.db2.gz HYYSPUOTVDTBJV-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1coc(C)c1 ZINC001267266279 808401709 /nfs/dbraw/zinc/40/17/09/808401709.db2.gz IOAROAOFCMZIEU-CZUORRHYSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CCC[N@@H+]2CCCF)CCCC1 ZINC001267283502 808404422 /nfs/dbraw/zinc/40/44/22/808404422.db2.gz NPRWYUBSPBGSMP-HNNXBMFYSA-N 1 1 296.430 3.063 20 30 CGEDMO C=CC[N@H+]([C@@H]1CCC[C@@H](C(=O)OC)C1)C(C)(C)C ZINC001172638818 808405901 /nfs/dbraw/zinc/40/59/01/808405901.db2.gz YXPJZJNNVFERIG-CHWSQXEVSA-N 1 1 253.386 3.005 20 30 CGEDMO CCCC[N@H+](CC#N)C1CC(C)(C)OC(C)(C)C1 ZINC001172659009 808412371 /nfs/dbraw/zinc/41/23/71/808412371.db2.gz KWUOZLMSMSAZNC-UHFFFAOYSA-N 1 1 252.402 3.348 20 30 CGEDMO CCCC[N@@H+](CC#N)C1CC(C)(C)OC(C)(C)C1 ZINC001172659009 808412376 /nfs/dbraw/zinc/41/23/76/808412376.db2.gz KWUOZLMSMSAZNC-UHFFFAOYSA-N 1 1 252.402 3.348 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)C(F)=C1CCCC1 ZINC001267312340 808412466 /nfs/dbraw/zinc/41/24/66/808412466.db2.gz XNHIRWCRQLTEJC-UHFFFAOYSA-N 1 1 282.403 3.188 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)C[C@H]1CCCC[C@H]1C ZINC001267320262 808413358 /nfs/dbraw/zinc/41/33/58/808413358.db2.gz CWGFMHMIJUUNDL-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N(CCC)[C@H]1CC[N@@H+](CCC)C1 ZINC001267473793 808430775 /nfs/dbraw/zinc/43/07/75/808430775.db2.gz FGWJUQLJWUKSOS-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)C[C@@H](C)CC(C)C)C1 ZINC001267488777 808432178 /nfs/dbraw/zinc/43/21/78/808432178.db2.gz PHUPDYKYRDMXTD-DLBZAZTESA-N 1 1 292.467 3.005 20 30 CGEDMO CC(C)OC(=O)CC[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001172761128 808432528 /nfs/dbraw/zinc/43/25/28/808432528.db2.gz DSHRHNVPBMGYRP-CQSZACIVSA-N 1 1 288.391 3.110 20 30 CGEDMO C=CCCCC[N@H+](C)[C@H](C)CCC(=O)OC(C)C ZINC001172772810 808436363 /nfs/dbraw/zinc/43/63/63/808436363.db2.gz HSCWDTJIEQYINI-CQSZACIVSA-N 1 1 255.402 3.395 20 30 CGEDMO CCCC[N@@H+](CCC#N)[C@H]1CCC[C@@H](C(=O)OC)CC1 ZINC001172790617 808439945 /nfs/dbraw/zinc/43/99/45/808439945.db2.gz CMOZZRKTQGKRBU-CABCVRRESA-N 1 1 280.412 3.124 20 30 CGEDMO C=CCCC(=O)N(CCC)[C@@H]1CC[N@@H+](CCC(=C)C)C1 ZINC001267537567 808441337 /nfs/dbraw/zinc/44/13/37/808441337.db2.gz JQAFODMFIKPLGS-MRXNPFEDSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C1CC=C(F)C=C1[NH2+][C@@H]1CCC[C@H](C(=O)OC)CC1 ZINC001172800416 808442354 /nfs/dbraw/zinc/44/23/54/808442354.db2.gz RYFKEZROXMKOPM-GXTWGEPZSA-N 1 1 279.355 3.395 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H](CCNC(=O)C2CCCCC2)C1 ZINC001267549161 808444338 /nfs/dbraw/zinc/44/43/38/808444338.db2.gz BVEFJZGWCMBMPN-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@]2(C)C=CCC2)C1 ZINC001267564214 808448288 /nfs/dbraw/zinc/44/82/88/808448288.db2.gz OAYSWZLWBCMUAA-AEFFLSMTSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)C2CC(C)(C)C2)C1 ZINC001267580863 808450765 /nfs/dbraw/zinc/45/07/65/808450765.db2.gz FVAANXYCHNFHNE-HNNXBMFYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccs2)C1 ZINC001267577240 808451308 /nfs/dbraw/zinc/45/13/08/808451308.db2.gz JFNHEJZHYXKJIO-AWEZNQCLSA-N 1 1 292.448 3.108 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001267594641 808454987 /nfs/dbraw/zinc/45/49/87/808454987.db2.gz LCILZSVXCYLAJS-JKSUJKDBSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)CCCC2CC2)C1 ZINC001267670352 808467124 /nfs/dbraw/zinc/46/71/24/808467124.db2.gz MQQCALLXONFBDQ-KRWDZBQOSA-N 1 1 292.467 3.313 20 30 CGEDMO C#CC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@H](C)CCCCC)C1 ZINC001267689264 808471437 /nfs/dbraw/zinc/47/14/37/808471437.db2.gz CPZHHMDQFMWRPO-SJORKVTESA-N 1 1 292.467 3.006 20 30 CGEDMO C#CC[N@H+](C)[C@H](C)CSc1ccc(Cl)cc1 ZINC001172883710 808474288 /nfs/dbraw/zinc/47/42/88/808474288.db2.gz VRDSOICKHMUJAU-LLVKDONJSA-N 1 1 253.798 3.386 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)CC2CCCC2)C1 ZINC001267730844 808478028 /nfs/dbraw/zinc/47/80/28/808478028.db2.gz CPAKQDKBSAIGER-IRXDYDNUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C2(CC(C)C)CCCC2)C1 ZINC001267750936 808483200 /nfs/dbraw/zinc/48/32/00/808483200.db2.gz JXKBSTCRAUFLFK-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H](C)CCCCC)C1 ZINC001267773423 808488010 /nfs/dbraw/zinc/48/80/10/808488010.db2.gz NDGFJIBIEBNBNW-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC23CC3)C1 ZINC001267774572 808489072 /nfs/dbraw/zinc/48/90/72/808489072.db2.gz XPBGHPXDRVERQM-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](N(CC)C(=O)C(C)(C)F)C1 ZINC001267780370 808490237 /nfs/dbraw/zinc/49/02/37/808490237.db2.gz MWKSUCOPAOHXHS-KBPBESRZSA-N 1 1 284.419 3.012 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)CCCC)C1 ZINC001267780647 808490609 /nfs/dbraw/zinc/49/06/09/808490609.db2.gz RZZHIURTGFPWQM-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCCC(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001267781061 808490619 /nfs/dbraw/zinc/49/06/19/808490619.db2.gz BANAXBGTHXRPKI-OAHLLOKOSA-N 1 1 292.448 3.137 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)CC2CC(C)(C)C2)C1 ZINC001267792361 808494428 /nfs/dbraw/zinc/49/44/28/808494428.db2.gz YRSZUYVKVNKGQK-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO CCCC[N@H+](CC#N)C1CCC(OCCC)CC1 ZINC001173100717 808509536 /nfs/dbraw/zinc/50/95/36/808509536.db2.gz RIRFQVYTMKYPEK-UHFFFAOYSA-N 1 1 252.402 3.350 20 30 CGEDMO CCCC[N@@H+](CC#N)C1CCC(OCCC)CC1 ZINC001173100717 808509543 /nfs/dbraw/zinc/50/95/43/808509543.db2.gz RIRFQVYTMKYPEK-UHFFFAOYSA-N 1 1 252.402 3.350 20 30 CGEDMO CCc1ccc(C[C@H](C)[N@H+]2CC[C@](C)(C#N)C2)cc1 ZINC001173246068 808553291 /nfs/dbraw/zinc/55/32/91/808553291.db2.gz KEBOAXNMOKMXAN-WMLDXEAASA-N 1 1 256.393 3.416 20 30 CGEDMO C=CCCC[N@H+](C)CCC1CCN(C(=O)/C(C)=C\C)CC1 ZINC001268201023 808555245 /nfs/dbraw/zinc/55/52/45/808555245.db2.gz UFUXVMFORIKKED-SOFYXZRVSA-N 1 1 292.467 3.479 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001268240215 808565138 /nfs/dbraw/zinc/56/51/38/808565138.db2.gz UZXXWQJINLFNKE-MRXNPFEDSA-N 1 1 278.440 3.089 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CC=C(C)C)C1 ZINC001268260957 808572154 /nfs/dbraw/zinc/57/21/54/808572154.db2.gz AJMLIXXOROSALM-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]2CN(C(=O)CC3CCC3)CC[C@H]21 ZINC001268264521 808572934 /nfs/dbraw/zinc/57/29/34/808572934.db2.gz UJVJKXBCINSWEB-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCOC1CCC([N@H+]2CC[C@H]3OCCC[C@@H]3C2)CC1 ZINC001173319273 808610233 /nfs/dbraw/zinc/61/02/33/808610233.db2.gz CEXHCKYYYUKTJT-RDHHWEPZSA-N 1 1 279.424 3.001 20 30 CGEDMO C=CCOC1CCC([N@H+]2CCC[C@H](F)CC2)CC1 ZINC001173322121 808611445 /nfs/dbraw/zinc/61/14/45/808611445.db2.gz VNKZXGBWLYDIQD-NFOMZHRRSA-N 1 1 255.377 3.324 20 30 CGEDMO N#CCC1CCC([NH2+]C2(c3ccccc3F)COC2)CC1 ZINC001173329519 808615261 /nfs/dbraw/zinc/61/52/61/808615261.db2.gz JJYRVHBHRFMYOG-UHFFFAOYSA-N 1 1 288.366 3.113 20 30 CGEDMO N#CCC1CCC([N@H+]2CCOc3ccccc3C2)CC1 ZINC001173338202 808618638 /nfs/dbraw/zinc/61/86/38/808618638.db2.gz BHRWUVNZZFBEHL-UHFFFAOYSA-N 1 1 270.376 3.353 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)C1CCCC1 ZINC001268734750 808618655 /nfs/dbraw/zinc/61/86/55/808618655.db2.gz ZNFAKEMCAJOZFP-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)c1cc(Cl)ccc1F ZINC001268738423 808620142 /nfs/dbraw/zinc/62/01/42/808620142.db2.gz QLEUZTNWLBJSPJ-NSHDSACASA-N 1 1 298.789 3.105 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001268745536 808621852 /nfs/dbraw/zinc/62/18/52/808621852.db2.gz JNFZHXVQOGNRMD-ARFHVFGLSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)c1cccc(C(C)C)c1 ZINC001268754294 808623338 /nfs/dbraw/zinc/62/33/38/808623338.db2.gz YLYPIFZBMUSNQV-HNNXBMFYSA-N 1 1 288.435 3.436 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CCCCC1 ZINC001268921789 808635182 /nfs/dbraw/zinc/63/51/82/808635182.db2.gz ABKAAICRKDXJII-IRXDYDNUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001269051698 808644154 /nfs/dbraw/zinc/64/41/54/808644154.db2.gz GBLKDUJFGMJOOZ-HNNXBMFYSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@H+](Cc2csc(C)c2)C1 ZINC001269061785 808644693 /nfs/dbraw/zinc/64/46/93/808644693.db2.gz QEXSHFHLVZJDMV-HNNXBMFYSA-N 1 1 292.448 3.103 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001269083057 808646976 /nfs/dbraw/zinc/64/69/76/808646976.db2.gz CMXWDBRQPZZLQU-HNNXBMFYSA-N 1 1 292.810 3.110 20 30 CGEDMO CCCCCCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001269126797 808648713 /nfs/dbraw/zinc/64/87/13/808648713.db2.gz BUILXZWBQGZZSI-IYBDPMFKSA-N 1 1 280.456 3.432 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CCc3c(O)cccc3C2)CC1 ZINC001173594213 808649588 /nfs/dbraw/zinc/64/95/88/808649588.db2.gz VMYXXGMSPKFWAL-UHFFFAOYSA-N 1 1 270.376 3.223 20 30 CGEDMO CCOC(=O)C[C@H]1CC[C@H]([N@@H+](CCC#N)C2CCCC2)C1 ZINC001173644994 808658518 /nfs/dbraw/zinc/65/85/18/808658518.db2.gz RCTGXSPVYLXDCJ-HOCLYGCPSA-N 1 1 292.423 3.267 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(C)c1 ZINC001269241988 808659543 /nfs/dbraw/zinc/65/95/43/808659543.db2.gz ZIYNWBRFTJVWEN-KRWDZBQOSA-N 1 1 286.419 3.042 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)C(=C)C)C1 ZINC001269264130 808661316 /nfs/dbraw/zinc/66/13/16/808661316.db2.gz VUFVKUVBWWDDCD-HOTGVXAUSA-N 1 1 292.467 3.476 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@H]2CC[N@@H+]2[C@H](C)c2ccccc2)C1 ZINC001269291445 808665113 /nfs/dbraw/zinc/66/51/13/808665113.db2.gz JGHGRNZHTQVURP-NVXWUHKLSA-N 1 1 298.430 3.294 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CNC(=O)C[C@@H](C)CC(C)(C)C ZINC001269311740 808668142 /nfs/dbraw/zinc/66/81/42/808668142.db2.gz VFOCJQJOJIGFOI-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001269345434 808672184 /nfs/dbraw/zinc/67/21/84/808672184.db2.gz QUZLDKSRBFURMK-HZPDHXFCSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CNC(=O)CC1CCC(C)(C)CC1 ZINC001269357037 808673382 /nfs/dbraw/zinc/67/33/82/808673382.db2.gz XEMFEQKENDTMCN-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CCC(=O)N[C@]1(C)CC[N@H+](CC/C=C/CC)C1 ZINC001270590496 808737618 /nfs/dbraw/zinc/73/76/18/808737618.db2.gz OYOXERLEQAHPAL-DKRLNXSXSA-N 1 1 278.440 3.280 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)CC[C@@H](C)CC)C1 ZINC001270643297 808741174 /nfs/dbraw/zinc/74/11/74/808741174.db2.gz VBNPXEZHHJMKOM-WFASDCNBSA-N 1 1 286.847 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)CC[C@@H](C)CC)C1 ZINC001270643297 808741179 /nfs/dbraw/zinc/74/11/79/808741179.db2.gz VBNPXEZHHJMKOM-WFASDCNBSA-N 1 1 286.847 3.146 20 30 CGEDMO CCCCCCCC[C@@H]1C[C@@H]1C(=O)N1CC2(CC[N@@H+]2C)C1 ZINC001271410930 808770015 /nfs/dbraw/zinc/77/00/15/808770015.db2.gz JVIVZMHIHMTOPR-CVEARBPZSA-N 1 1 292.467 3.290 20 30 CGEDMO CCCCCCCC[C@@H]1C[C@@H]1C(=O)N1CC2(CC[N@H+]2C)C1 ZINC001271410930 808770024 /nfs/dbraw/zinc/77/00/24/808770024.db2.gz JVIVZMHIHMTOPR-CVEARBPZSA-N 1 1 292.467 3.290 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCC(C)C ZINC001272005871 808792005 /nfs/dbraw/zinc/79/20/05/808792005.db2.gz PDGIUIYAOWFINO-CVEARBPZSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)[C@@H]1CC2CCC1CC2 ZINC001272178573 808800395 /nfs/dbraw/zinc/80/03/95/808800395.db2.gz LQJCIYBIIVGMPD-OFLPRAFFSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2C[C@H](C)CC ZINC001272423041 808807214 /nfs/dbraw/zinc/80/72/14/808807214.db2.gz TUBHAZMPHUIIGI-NVXWUHKLSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@H+]2CCC2CCCCC2)C1=O ZINC001272862417 808825575 /nfs/dbraw/zinc/82/55/75/808825575.db2.gz KFJOPELWVROFCQ-GOSISDBHSA-N 1 1 290.451 3.210 20 30 CGEDMO CNc1ccc(C#N)cc1Nc1cc[nH+]c2ccccc12 ZINC001174040141 808840286 /nfs/dbraw/zinc/84/02/86/808840286.db2.gz UGEPOMSDKOPWPY-UHFFFAOYSA-N 1 1 274.327 3.314 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@]2(CCN(CC(C)C)C2=O)CC1 ZINC001273493327 808847996 /nfs/dbraw/zinc/84/79/96/808847996.db2.gz WZUQVIGKSHUWTA-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC(C)(C)C(=O)N(C)CCC[N@@H+](C)CC1CC(C)(C)C1 ZINC001273548495 808854117 /nfs/dbraw/zinc/85/41/17/808854117.db2.gz VEWFDMUSLLXGCW-UHFFFAOYSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CC[N@H+](C)CCCN(C)C(=O)c1cccc(Cl)c1F ZINC001273553638 808854215 /nfs/dbraw/zinc/85/42/15/808854215.db2.gz DZEWSPLKAZIJPI-UHFFFAOYSA-N 1 1 298.789 3.059 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](F)CC)C2 ZINC001273841045 808862385 /nfs/dbraw/zinc/86/23/85/808862385.db2.gz QNAGNQJCSKTHKB-WBVHZDCISA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)CN1c2ccccc2[C@@]2(CC[N@H+]([C@@H](C)CC)C2)C1=O ZINC001273920760 808864296 /nfs/dbraw/zinc/86/42/96/808864296.db2.gz CROWHBHJLFQIMP-KXBFYZLASA-N 1 1 298.430 3.351 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C2(C)CC(=C)C2)C[C@@H]1C ZINC001274643848 808880054 /nfs/dbraw/zinc/88/00/54/808880054.db2.gz MDISVGNOZQBBMG-HOTGVXAUSA-N 1 1 290.451 3.278 20 30 CGEDMO CCCCCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)CC ZINC001275081127 808904703 /nfs/dbraw/zinc/90/47/03/808904703.db2.gz QJWNRQXYHKJOTL-HNNXBMFYSA-N 1 1 268.445 3.290 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)c1ccco1 ZINC001275081662 808904904 /nfs/dbraw/zinc/90/49/04/808904904.db2.gz YOROVEOOWYOQQH-GJZGRUSLSA-N 1 1 290.407 3.171 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC(C)(C)C1 ZINC001275144218 808916154 /nfs/dbraw/zinc/91/61/54/808916154.db2.gz VZBKFUGAMNHPLM-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO Cc1ccc(CN2CC3(CC[N@H+]3C3CCCC3)C2)cc1C#N ZINC001275373425 808932846 /nfs/dbraw/zinc/93/28/46/808932846.db2.gz HNVJWLJWAREGEG-UHFFFAOYSA-N 1 1 295.430 3.069 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(C(C)C)cc1 ZINC001275706419 808958737 /nfs/dbraw/zinc/95/87/37/808958737.db2.gz GWBOBRUTRAWMJQ-OAHLLOKOSA-N 1 1 288.435 3.436 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)C(C)=C1CCCC1 ZINC001275801136 808966676 /nfs/dbraw/zinc/96/66/76/808966676.db2.gz LZGHCMYOKDUWTF-AWEZNQCLSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)C1CC1 ZINC001275905269 808975810 /nfs/dbraw/zinc/97/58/10/808975810.db2.gz WXSOCFQXJYLPPC-KBPBESRZSA-N 1 1 280.456 3.214 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)c1ccc(F)c(C)c1 ZINC001275912913 808976049 /nfs/dbraw/zinc/97/60/49/808976049.db2.gz ONDDIMSJYGMJBP-CQSZACIVSA-N 1 1 292.398 3.150 20 30 CGEDMO C=CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)C(C)C)c1ccccc1 ZINC001276000727 808983846 /nfs/dbraw/zinc/98/38/46/808983846.db2.gz BJJBOBYVKDYDCK-WBVHZDCISA-N 1 1 288.435 3.191 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)c1ccoc1C(C)C ZINC001276012525 808984459 /nfs/dbraw/zinc/98/44/59/808984459.db2.gz QWTQSHATWRURKJ-CYBMUJFWSA-N 1 1 278.396 3.029 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CC[C@H]2CN(C)C[C@H]21 ZINC001276042811 808986672 /nfs/dbraw/zinc/98/66/72/808986672.db2.gz HRSOOKCHMVSLAD-JKSUJKDBSA-N 1 1 250.430 3.149 20 30 CGEDMO CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)C(C)(C)C ZINC001276311297 809000841 /nfs/dbraw/zinc/00/08/41/809000841.db2.gz LZSPRLSGRHPMPJ-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CCCCCCC(=O)NC[C@@H]1CCCCC[N@@H+]1CC=C ZINC001276312567 809000919 /nfs/dbraw/zinc/00/09/19/809000919.db2.gz SHWHAYQYOOLAQU-KRWDZBQOSA-N 1 1 290.451 3.117 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)CC(C)(C)C)C(C)(C)C1 ZINC001276555430 809017551 /nfs/dbraw/zinc/01/75/51/809017551.db2.gz PAPSSWNCASBZIE-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CC=C(C)C)CC1(C)C ZINC001276608944 809020045 /nfs/dbraw/zinc/02/00/45/809020045.db2.gz TXXGZPIBIGCRFA-CRAIPNDOSA-N 1 1 292.467 3.382 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]1CNC(=O)C1(F)CCCC1 ZINC001276874394 809039770 /nfs/dbraw/zinc/03/97/70/809039770.db2.gz DAKHHUFPGYIYAE-OAHLLOKOSA-N 1 1 298.446 3.430 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H](CC)CC1CCCC1 ZINC001276930378 809047604 /nfs/dbraw/zinc/04/76/04/809047604.db2.gz GIPFMACXUTZJFD-IAGOWNOFSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+](C)C1CCN(C(=O)C(CC)CC)CC1 ZINC001277379348 809070985 /nfs/dbraw/zinc/07/09/85/809070985.db2.gz OBJGVGYGNLBBBI-UHFFFAOYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)CCCCCC)CC1 ZINC001277440882 809076337 /nfs/dbraw/zinc/07/63/37/809076337.db2.gz HEGDAAMOAWHSLH-UHFFFAOYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@H](C)CCC)C2)C1 ZINC001277508881 809078850 /nfs/dbraw/zinc/07/88/50/809078850.db2.gz DHQMNRDOKUJHQC-SJLPKXTDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@]1(C)CC[N@H+](CC=C(C)C)C1 ZINC001278396099 809129836 /nfs/dbraw/zinc/12/98/36/809129836.db2.gz MISLHLPHLYAZSA-GOSISDBHSA-N 1 1 290.451 3.302 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@]12CCC[C@H]1[N@H+](C(C)C)CC2 ZINC001278458980 809134949 /nfs/dbraw/zinc/13/49/49/809134949.db2.gz HGXVUIKMTWAJBO-INMHGKMJSA-N 1 1 278.440 3.110 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)CC3(C)CC3)CCC[C@@H]12 ZINC001278451416 809135718 /nfs/dbraw/zinc/13/57/18/809135718.db2.gz HYIYOWKOMHSFIP-CZUORRHYSA-N 1 1 296.842 3.042 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)CC3(C)CC3)CCC[C@@H]12 ZINC001278451416 809135720 /nfs/dbraw/zinc/13/57/20/809135720.db2.gz HYIYOWKOMHSFIP-CZUORRHYSA-N 1 1 296.842 3.042 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2ccsc2)[C@@H]1C ZINC001278492354 809137346 /nfs/dbraw/zinc/13/73/46/809137346.db2.gz DFMFTCDYVKYLIN-ZFWWWQNUSA-N 1 1 292.448 3.297 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CCC[N@@H+](CC2CCC2)[C@H]1C ZINC001278520090 809139222 /nfs/dbraw/zinc/13/92/22/809139222.db2.gz CCUDHQFUUVSECX-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)CC(C)(C)CC)C1 ZINC001278662997 809150978 /nfs/dbraw/zinc/15/09/78/809150978.db2.gz HLOJYVATPYZLAK-KRWDZBQOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CN(C(=O)CCCC[C@@H](C)CC)C[C@H]2C1 ZINC001279370519 809172054 /nfs/dbraw/zinc/17/20/54/809172054.db2.gz FBHZLGIZKRQIQV-YESZJQIVSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC1CCC1 ZINC001279552740 809174661 /nfs/dbraw/zinc/17/46/61/809174661.db2.gz DMICAEMYHZBIEE-IAGOWNOFSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCCN(C(=O)CCCC)[C@@H]2C1 ZINC001279598021 809175677 /nfs/dbraw/zinc/17/56/77/809175677.db2.gz UDFXFMRAWSKMFI-IXDOHACOSA-N 1 1 292.467 3.454 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CCCC[C@@H](C)CC)CC1 ZINC001280747561 809197383 /nfs/dbraw/zinc/19/73/83/809197383.db2.gz SHEYIQCOTCBANC-IRXDYDNUSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](CC2CCC2)[C@H](C)C1 ZINC001281666238 809216550 /nfs/dbraw/zinc/21/65/50/809216550.db2.gz WSDIZHORSXWMPG-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@]1(C)CC=CCC1 ZINC001281939003 809224621 /nfs/dbraw/zinc/22/46/21/809224621.db2.gz ACPXCIUIJJMZML-SJLPKXTDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)C1=CCCCCC1 ZINC001281931921 809225498 /nfs/dbraw/zinc/22/54/98/809225498.db2.gz GJKHNDBGDRDDAP-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@]1(C)C=CCC1 ZINC001281953359 809225529 /nfs/dbraw/zinc/22/55/29/809225529.db2.gz UMLSSDNXGZYGGM-SJLPKXTDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@](C)(C=C)CC ZINC001281956694 809227197 /nfs/dbraw/zinc/22/71/97/809227197.db2.gz JNJODMDXCZRYHC-SJLPKXTDSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@H](C)CNC(=O)/C=C(\C)CC ZINC001282384387 809244824 /nfs/dbraw/zinc/24/48/24/809244824.db2.gz KMDRWKWAZJCMOJ-TZLBIFBXSA-N 1 1 266.429 3.134 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)C1(C)CCCC1 ZINC001282432995 809246860 /nfs/dbraw/zinc/24/68/60/809246860.db2.gz KWKZUWFTPBCJSP-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H](C)[N@@H+](C)CC1CC2(CCC2)C1 ZINC001282444635 809248736 /nfs/dbraw/zinc/24/87/36/809248736.db2.gz USBZLBPLDINTKC-CQSZACIVSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)c1ccc(Cl)s1 ZINC001282487060 809251973 /nfs/dbraw/zinc/25/19/73/809251973.db2.gz UNYMDEDXZZZURT-SNVBAGLBSA-N 1 1 286.828 3.028 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCCCC[N@@H+]1CC=C(C)C ZINC001282660775 809257683 /nfs/dbraw/zinc/25/76/83/809257683.db2.gz DLQYTWGHQIXNEF-MRXNPFEDSA-N 1 1 278.440 3.280 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](C)C1CC1 ZINC001282660701 809257787 /nfs/dbraw/zinc/25/77/87/809257787.db2.gz CHNIZXROSNJKMT-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)CC)[C@@H]1C ZINC001284133288 809297351 /nfs/dbraw/zinc/29/73/51/809297351.db2.gz VMNRDZGANZLKBM-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO CCCCC[N@H+]1CCC[C@@H](NC(=O)C#CC(C)(C)C)[C@H]1C ZINC001284130488 809298363 /nfs/dbraw/zinc/29/83/63/809298363.db2.gz WQUVYIBNZWCYIS-HZPDHXFCSA-N 1 1 292.467 3.195 20 30 CGEDMO Cn1c2ccccc2[nH+]c1Nc1cc(F)cc(C#N)c1 ZINC001175678798 809501985 /nfs/dbraw/zinc/50/19/85/809501985.db2.gz GYWXSMTWFSUGDY-UHFFFAOYSA-N 1 1 266.279 3.328 20 30 CGEDMO C=CCC1(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CCCC1 ZINC001297803829 809522705 /nfs/dbraw/zinc/52/27/05/809522705.db2.gz LGZFYBUSAUQWRY-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCCCC[N@@H+](C)CC(=O)Nc1cc(C)cc(C#N)c1 ZINC001299291334 809548238 /nfs/dbraw/zinc/54/82/38/809548238.db2.gz AXHRAAWSAPNKAD-UHFFFAOYSA-N 1 1 287.407 3.317 20 30 CGEDMO C#CC[N@H+](Cc1cc(Br)ccc1OC)C(C)C ZINC001176373809 809681782 /nfs/dbraw/zinc/68/17/82/809681782.db2.gz ZRJHWHAXXGDMPO-UHFFFAOYSA-N 1 1 296.208 3.301 20 30 CGEDMO Cc1cc([C@@H]2CCCC[N@H+]2CCC(C)(C)C#N)[nH]n1 ZINC001176484616 809705769 /nfs/dbraw/zinc/70/57/69/809705769.db2.gz IPOIYVXBNHESOA-AWEZNQCLSA-N 1 1 260.385 3.185 20 30 CGEDMO C=CCC[C@H](CC)[NH2+]CC1(CN(C)C)CCCC1 ZINC001180673796 810017652 /nfs/dbraw/zinc/01/76/52/810017652.db2.gz QUHPMIQGCDLDRV-HNNXBMFYSA-N 1 1 252.446 3.443 20 30 CGEDMO C=CC[C@H]1[N@@H+](C[C@H]2COC(C)(C)O2)CCCC1(C)C ZINC001181297816 810046772 /nfs/dbraw/zinc/04/67/72/810046772.db2.gz XEALMLCAFDBTIN-UONOGXRCSA-N 1 1 267.413 3.205 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC001181869475 810077261 /nfs/dbraw/zinc/07/72/61/810077261.db2.gz CGXCRWPJCFJWQV-ZWKOTPCHSA-N 1 1 251.373 3.159 20 30 CGEDMO C=C(C)C[C@@H]([NH2+]C1CCC2(CCC2)CC1)C(=O)OC ZINC001183324502 810144751 /nfs/dbraw/zinc/14/47/51/810144751.db2.gz OQZCMFGZHSBSNP-CQSZACIVSA-N 1 1 265.397 3.197 20 30 CGEDMO C#CC[N@H+](C[C@H](C)c1cccc(Cl)c1)C1CSC1 ZINC001183419832 810147986 /nfs/dbraw/zinc/14/79/86/810147986.db2.gz TUELFEVAYFBOCK-LBPRGKRZSA-N 1 1 279.836 3.494 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C3CCCC3)[C@@H]2C1 ZINC001186645170 810353866 /nfs/dbraw/zinc/35/38/66/810353866.db2.gz XHJKAYVWZKZBES-HYVNUMGLSA-N 1 1 290.451 3.064 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)C2CCC2)C1 ZINC001188579216 810488767 /nfs/dbraw/zinc/48/87/67/810488767.db2.gz AFMXFDHTQIIHQR-MRXNPFEDSA-N 1 1 280.456 3.290 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)CC2CCCC2)C1 ZINC001188700841 810504748 /nfs/dbraw/zinc/50/47/48/810504748.db2.gz HMBULNLHSIVVBD-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)c2cccc(C)c2)C1 ZINC001188725453 810509078 /nfs/dbraw/zinc/50/90/78/810509078.db2.gz BLHUUJKFKXPVPC-KRWDZBQOSA-N 1 1 286.419 3.108 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(C)o2)C1 ZINC001188737513 810510443 /nfs/dbraw/zinc/51/04/43/810510443.db2.gz MSTKJKXFQHYOCP-UKRRQHHQSA-N 1 1 290.407 3.089 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)CC(C)=C(C)C)[C@@H]2C1 ZINC001188801199 810515334 /nfs/dbraw/zinc/51/53/34/810515334.db2.gz LESUXDIJKZORCV-LSDHHAIUSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)CC(C)=C(C)C)[C@@H]2C1 ZINC001188801199 810515340 /nfs/dbraw/zinc/51/53/40/810515340.db2.gz LESUXDIJKZORCV-LSDHHAIUSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[C@H]2C[N@@H+](CCC(=C)C)C[C@H]21 ZINC001188909134 810522632 /nfs/dbraw/zinc/52/26/32/810522632.db2.gz OEHJYIILHWRZNN-IXDOHACOSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]([N@@H+](C)CCC2CCCC2)C1 ZINC001189318362 810556849 /nfs/dbraw/zinc/55/68/49/810556849.db2.gz KFHKHNOLTOFJQR-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C/C=C(/C)C(=O)N1CC[C@@H]([N@H+](C)CCCCCCC)C1 ZINC001189592840 810581663 /nfs/dbraw/zinc/58/16/63/810581663.db2.gz CGHKVRQHIHHSSM-OBHDYHNASA-N 1 1 280.456 3.456 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)CC(C)C)[C@@H]2C1 ZINC001189692240 810585949 /nfs/dbraw/zinc/58/59/49/810585949.db2.gz MSYHDMXTLYYBOL-IXDOHACOSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)c2c(C)coc2C)C1 ZINC001189946050 810597015 /nfs/dbraw/zinc/59/70/15/810597015.db2.gz ZTRPLVMCHAKVPB-OAHLLOKOSA-N 1 1 290.407 3.009 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)CCCC)C1 ZINC001189974282 810598881 /nfs/dbraw/zinc/59/88/81/810598881.db2.gz VNOQHXKVFYSSLY-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)CCCC)C1 ZINC001189974088 810599291 /nfs/dbraw/zinc/59/92/91/810599291.db2.gz SXBYFIIMNDONFU-OCCSQVGLSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)CCCC)C1 ZINC001189974088 810599296 /nfs/dbraw/zinc/59/92/96/810599296.db2.gz SXBYFIIMNDONFU-OCCSQVGLSA-N 1 1 286.847 3.098 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)/C=C(\C)CC)C1 ZINC001190035143 810604452 /nfs/dbraw/zinc/60/44/52/810604452.db2.gz BNNUOTUFNZGMHR-KBYULJEUSA-N 1 1 278.440 3.230 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[C@@H]([N@H+](C)C[C@H](F)CC)C1 ZINC001190354821 810622132 /nfs/dbraw/zinc/62/21/32/810622132.db2.gz QQTVIDWNPBBOMA-HZPDHXFCSA-N 1 1 296.430 3.036 20 30 CGEDMO CC#CC[N@H+](C)[C@H]1CCN(C(=O)CCCC[C@@H](C)CC)C1 ZINC001190361624 810624067 /nfs/dbraw/zinc/62/40/67/810624067.db2.gz FWGPDASSPZQDMG-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cccc(F)n1 ZINC001190457352 810628857 /nfs/dbraw/zinc/62/88/57/810628857.db2.gz KXDZGNCHTPLWOH-UHFFFAOYSA-N 1 1 286.350 3.418 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cccc(F)n1 ZINC001190457352 810628859 /nfs/dbraw/zinc/62/88/59/810628859.db2.gz KXDZGNCHTPLWOH-UHFFFAOYSA-N 1 1 286.350 3.418 20 30 CGEDMO CCCCCCCCNC(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001191061150 810668501 /nfs/dbraw/zinc/66/85/01/810668501.db2.gz JIDLHZXMYOQWLJ-INIZCTEOSA-N 1 1 295.471 3.227 20 30 CGEDMO CCCCCCCCNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC001191074200 810670950 /nfs/dbraw/zinc/67/09/50/810670950.db2.gz LCGJFZSFOCBJLF-INIZCTEOSA-N 1 1 297.487 3.378 20 30 CGEDMO CCCCCCCNC(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC001191086676 810673983 /nfs/dbraw/zinc/67/39/83/810673983.db2.gz MKDWKDUBOZTFOI-UHFFFAOYSA-N 1 1 278.400 3.240 20 30 CGEDMO C#CCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H](CC)CCCC)C1 ZINC001191430010 810712705 /nfs/dbraw/zinc/71/27/05/810712705.db2.gz AIRONZSZOGPOSS-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO CC#CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H](CC)CCCC)C1 ZINC001191421818 810712792 /nfs/dbraw/zinc/71/27/92/810712792.db2.gz COCSKUUWTYOHCO-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)CCC(C)C)C1 ZINC001191695610 810731382 /nfs/dbraw/zinc/73/13/82/810731382.db2.gz KYJDYZMEZOTHCS-OAHLLOKOSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)C=C)C1 ZINC001191720004 810733177 /nfs/dbraw/zinc/73/31/77/810733177.db2.gz PQORLBNAOXFOLT-CABCVRRESA-N 1 1 278.440 3.086 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](F)CC)C1 ZINC001191755079 810736836 /nfs/dbraw/zinc/73/68/36/810736836.db2.gz UGDRQDGWTPUMLE-GJZGRUSLSA-N 1 1 284.419 3.014 20 30 CGEDMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cc(C#N)ccn1 ZINC001191789608 810740525 /nfs/dbraw/zinc/74/05/25/810740525.db2.gz LUIMTTNVPTTWFV-XJKSGUPXSA-N 1 1 257.381 3.354 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)C2(CCC)CCC2)C1 ZINC001191820217 810745992 /nfs/dbraw/zinc/74/59/92/810745992.db2.gz XEGLFQPWCKTUOY-AWEZNQCLSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)C2(CCC)CCC2)C1 ZINC001191820217 810745996 /nfs/dbraw/zinc/74/59/96/810745996.db2.gz XEGLFQPWCKTUOY-AWEZNQCLSA-N 1 1 298.858 3.242 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C2(CC)CCC2)C1 ZINC001191819932 810746193 /nfs/dbraw/zinc/74/61/93/810746193.db2.gz VEFGKCAGEQQRPG-JKSUJKDBSA-N 1 1 292.467 3.454 20 30 CGEDMO CC#CCCCC(=O)N1CC[C@H]([N@@H+](C)CCCC(C)C)C1 ZINC001191858921 810752728 /nfs/dbraw/zinc/75/27/28/810752728.db2.gz FMZIOCCKVLJWNI-KRWDZBQOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CCCC2CC2)C1 ZINC001191890873 810754236 /nfs/dbraw/zinc/75/42/36/810754236.db2.gz VPIKRIQXDPCSRN-DOTOQJQBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCCC(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001192092805 810768477 /nfs/dbraw/zinc/76/84/77/810768477.db2.gz CZAMAIWRQLNKCK-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCCC(=O)N1CC[C@@H]([N@H+](C)CC/C=C\CC)C1 ZINC001192094783 810769705 /nfs/dbraw/zinc/76/97/05/810769705.db2.gz VZSUQKRPGKUFPJ-QKIRZYONSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@H]([N@@H+](C)CCCCCF)C1 ZINC001192163719 810772594 /nfs/dbraw/zinc/77/25/94/810772594.db2.gz ZTEHZXIZWLLKKD-RDJZCZTQSA-N 1 1 298.446 3.261 20 30 CGEDMO C=C1CCC(C(=O)N2CC[C@@H]([N@H+](C)CC[C@@H](C)F)C2)CC1 ZINC001192180910 810774251 /nfs/dbraw/zinc/77/42/51/810774251.db2.gz OKNLJAJESQKLHW-GDBMZVCRSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCCC1(C(=O)N2CC[C@@H]([N@@H+](C)C/C=C/Cl)C2)CC1 ZINC001192217205 810777600 /nfs/dbraw/zinc/77/76/00/810777600.db2.gz DETQWUYBUNTSRH-AZWQULSGSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)c2c(C)cccc2C)C1 ZINC001192481155 810802054 /nfs/dbraw/zinc/80/20/54/810802054.db2.gz KVPUIYIHZIZVCE-MRXNPFEDSA-N 1 1 286.419 3.026 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](C[C@@H]2CC3(CO2)CCCCC3)C1 ZINC001192499776 810804000 /nfs/dbraw/zinc/80/40/00/810804000.db2.gz FPHXOXBMZXFIKC-CVEARBPZSA-N 1 1 279.424 3.003 20 30 CGEDMO CC#CC[N@H+](C)[C@H]1CCN(C(=O)C[C@H](C)CCCCC)C1 ZINC001192687992 810817217 /nfs/dbraw/zinc/81/72/17/810817217.db2.gz OAOCXACCASCQLZ-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)CCCCC(C)C)C1 ZINC001192933686 810830934 /nfs/dbraw/zinc/83/09/34/810830934.db2.gz MSGDJBVRNZWOQP-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H](C)C2)cc1 ZINC001193517171 810901908 /nfs/dbraw/zinc/90/19/08/810901908.db2.gz OUGYAHZADWQKFW-OAHLLOKOSA-N 1 1 284.403 3.119 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccsc1 ZINC001193796583 810957988 /nfs/dbraw/zinc/95/79/88/810957988.db2.gz HJMMITQNCHWHBQ-SNVBAGLBSA-N 1 1 287.344 3.379 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)c2cc(C)c(C)s2)C1 ZINC001193898629 810974493 /nfs/dbraw/zinc/97/44/93/810974493.db2.gz VRUICSMHUSPLQV-CQSZACIVSA-N 1 1 292.448 3.087 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC001194020994 811003343 /nfs/dbraw/zinc/00/33/43/811003343.db2.gz UJVZBWJFJMEHSN-UONOGXRCSA-N 1 1 262.372 3.301 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)Oc1ccc(Cl)cc1 ZINC001194078428 811011535 /nfs/dbraw/zinc/01/15/35/811011535.db2.gz ARNUKOMWHSKQEN-ZDUSSCGKSA-N 1 1 294.782 3.079 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)CC)C2)CCCCC1 ZINC001194191841 811032110 /nfs/dbraw/zinc/03/21/10/811032110.db2.gz PCPQYVAUJAENEG-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)c2coc3ccccc32)C1 ZINC001194460172 811079065 /nfs/dbraw/zinc/07/90/65/811079065.db2.gz MRPXSRRBGKONAB-AWEZNQCLSA-N 1 1 298.386 3.155 20 30 CGEDMO CCCCCCCCOC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC001194743392 811121582 /nfs/dbraw/zinc/12/15/82/811121582.db2.gz IOGZTJYFMAOLKF-LSDHHAIUSA-N 1 1 282.428 3.119 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CC=CCC2)CC1 ZINC001194803030 811139273 /nfs/dbraw/zinc/13/92/73/811139273.db2.gz XSXCZPLRUMRJKT-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)CCCCC)CC1 ZINC001194876112 811161730 /nfs/dbraw/zinc/16/17/30/811161730.db2.gz JEQZOAQCVUWXJQ-MRXNPFEDSA-N 1 1 280.456 3.456 20 30 CGEDMO C=CCCC(=O)N1CCC[N@@H+](CCCC2CCC2)CC1 ZINC001195225681 811228159 /nfs/dbraw/zinc/22/81/59/811228159.db2.gz IESHIYREVMSWOL-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CNC(C)(C)C[NH+]1CCCC1 ZINC001195241583 811230364 /nfs/dbraw/zinc/23/03/64/811230364.db2.gz GWQRADCIVBQBMJ-UHFFFAOYSA-N 1 1 285.435 3.139 20 30 CGEDMO C=CCCC[N@H+]1CCCN(C(=O)CC2=CCCCC2)CC1 ZINC001195261157 811233859 /nfs/dbraw/zinc/23/38/59/811233859.db2.gz WEHNFEFWWZLQPF-UHFFFAOYSA-N 1 1 290.451 3.377 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC001195287177 811237084 /nfs/dbraw/zinc/23/70/84/811237084.db2.gz BEXUHWWFHAVFMU-UONOGXRCSA-N 1 1 267.413 3.395 20 30 CGEDMO CCCCCCC[N@H+]1CCCN(C(=O)C2CC=CC2)CC1 ZINC001195394191 811250766 /nfs/dbraw/zinc/25/07/66/811250766.db2.gz LEOGCOWOUOXZKW-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCCCCC[N@H+]1CCCN(C(=O)/C=C\C2CC2)CC1 ZINC001195418492 811252460 /nfs/dbraw/zinc/25/24/60/811252460.db2.gz GHWBXVMCJTZQQW-KHPPLWFESA-N 1 1 290.451 3.233 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@H](C)[C@H]1CCO ZINC001195938660 811304104 /nfs/dbraw/zinc/30/41/04/811304104.db2.gz QVBYRRWDRFDJMP-SCLBCKFNSA-N 1 1 286.419 3.158 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC001196023735 811310827 /nfs/dbraw/zinc/31/08/27/811310827.db2.gz WEJAQYUIEMYLSL-MRXNPFEDSA-N 1 1 278.444 3.351 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(F)c2cccnc12)[C@@H](C)COC ZINC001196047745 811314153 /nfs/dbraw/zinc/31/41/53/811314153.db2.gz CSKQWDUOMYWIBR-ZDUSSCGKSA-N 1 1 288.366 3.397 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@](C)(F)CCCC)CC1 ZINC001196358008 811335565 /nfs/dbraw/zinc/33/55/65/811335565.db2.gz KVOOSPFRGKRZNQ-KRWDZBQOSA-N 1 1 298.446 3.405 20 30 CGEDMO CC#CCN1CC(C)(C)[N@@H+](Cc2ccccc2)CC1(C)C ZINC001196497749 811350829 /nfs/dbraw/zinc/35/08/29/811350829.db2.gz HGRVRYDMWIESPW-UHFFFAOYSA-N 1 1 284.447 3.385 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC[N@@H+](CC=C(C)C)CC1 ZINC001196889987 811380130 /nfs/dbraw/zinc/38/01/30/811380130.db2.gz MXAGJOBRBCATSU-INIZCTEOSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@@]2(C)CCC[C@@H]2C)CC1 ZINC001197061673 811395580 /nfs/dbraw/zinc/39/55/80/811395580.db2.gz FHQANGBSGXBQDD-WMZOPIPTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC001197084700 811397496 /nfs/dbraw/zinc/39/74/96/811397496.db2.gz XJCYTJXILLDQIZ-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1ccc2c[nH]nc2c1 ZINC001197114360 811400357 /nfs/dbraw/zinc/40/03/57/811400357.db2.gz GOVWQDCIYHDSSL-UHFFFAOYSA-N 1 1 290.370 3.109 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[N@H+](CCC(=C)C)CC1 ZINC001197291683 811412081 /nfs/dbraw/zinc/41/20/81/811412081.db2.gz KJAJJBLQTCTEIO-UHFFFAOYSA-N 1 1 278.440 3.089 20 30 CGEDMO C#CCC[N@@H+]1CCCN(C(=O)C[C@@H](C)CCCCC)CC1 ZINC001197354104 811419888 /nfs/dbraw/zinc/41/98/88/811419888.db2.gz NBUZATFOEURYDH-KRWDZBQOSA-N 1 1 292.467 3.151 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)[C@H](F)CCCCCC)CC1 ZINC001197824238 811455732 /nfs/dbraw/zinc/45/57/32/811455732.db2.gz MEQQQGVVSZWUAS-MRXNPFEDSA-N 1 1 298.446 3.405 20 30 CGEDMO C#CC[N@H+](CCC(C)(C)CC(=O)OCC)C(C)(C)C ZINC001197930649 811464979 /nfs/dbraw/zinc/46/49/79/811464979.db2.gz RQWKIIZBXYQQLL-UHFFFAOYSA-N 1 1 267.413 3.090 20 30 CGEDMO C#CC[N@H+](CC1(C)COC1)[C@H]1CCCc2ccccc21 ZINC001198104811 811477134 /nfs/dbraw/zinc/47/71/34/811477134.db2.gz SCWRNBVYUGKWHX-KRWDZBQOSA-N 1 1 269.388 3.036 20 30 CGEDMO C=CC[N@H+]1CCCN(C(=O)CCCC2CCCC2)CC1 ZINC001198296284 811490216 /nfs/dbraw/zinc/49/02/16/811490216.db2.gz FMVJCQRVZVIFCM-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO CCCCCCCCCNC(=S)N[C@H]1CCC[N@@H+](C)C1 ZINC001200378646 811683918 /nfs/dbraw/zinc/68/39/18/811683918.db2.gz ZHTBLEXWBKECEI-HNNXBMFYSA-N 1 1 299.528 3.295 20 30 CGEDMO CC(C)C[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001201478996 811856144 /nfs/dbraw/zinc/85/61/44/811856144.db2.gz UNWKCFCMWKTFLA-HNNXBMFYSA-N 1 1 258.365 3.057 20 30 CGEDMO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](C[C@@H](C)CCC)C2 ZINC001201542186 811893809 /nfs/dbraw/zinc/89/38/09/811893809.db2.gz ILJGSTSXNKTDIZ-OKZBNKHCSA-N 1 1 295.467 3.496 20 30 CGEDMO COc1ccc(C#N)cc1Nc1cccc2[nH+]cn(C)c21 ZINC001201590697 811915921 /nfs/dbraw/zinc/91/59/21/811915921.db2.gz QHPUIDHIRDLRRN-UHFFFAOYSA-N 1 1 278.315 3.197 20 30 CGEDMO CCCCCCCC[N@H+]1CCCC[C@@]12CC(=O)N(C)C2 ZINC001201814364 811967683 /nfs/dbraw/zinc/96/76/83/811967683.db2.gz OJLVJKRNLGITHC-KRWDZBQOSA-N 1 1 280.456 3.434 20 30 CGEDMO CCCCCCCC[N@H+]1CC(=O)NC2(CCCC2)C1 ZINC001201839416 811969631 /nfs/dbraw/zinc/96/96/31/811969631.db2.gz CESNDHUVLFWHLG-UHFFFAOYSA-N 1 1 266.429 3.092 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@H](Oc2ncc(F)cn2)C1 ZINC001201840185 811969981 /nfs/dbraw/zinc/96/99/81/811969981.db2.gz OHOOHRWAPXLNQW-HNNXBMFYSA-N 1 1 295.402 3.429 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C)C1 ZINC001201839393 811970257 /nfs/dbraw/zinc/97/02/57/811970257.db2.gz BCZFACJSCSGTCT-JKSUJKDBSA-N 1 1 280.456 3.290 20 30 CGEDMO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](CC1CCCC1)CC2 ZINC001202159512 812025903 /nfs/dbraw/zinc/02/59/03/812025903.db2.gz DAOUXWIUDQIUDP-GOSISDBHSA-N 1 1 290.451 3.210 20 30 CGEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](CC1CCCC1)CCO2 ZINC001202166854 812028218 /nfs/dbraw/zinc/02/82/18/812028218.db2.gz GIBRMYKYQOSMGR-ZWKOTPCHSA-N 1 1 293.451 3.250 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2c(c1)CCC2 ZINC001203033762 812221673 /nfs/dbraw/zinc/22/16/73/812221673.db2.gz CNDKRSWPPCJKKI-GJWQZFMSSA-N 1 1 266.388 3.442 20 30 CGEDMO N#Cc1c(F)cc(Nc2c[nH+]c3ccccn23)cc1F ZINC001203668519 812423731 /nfs/dbraw/zinc/42/37/31/812423731.db2.gz NBALUAFLTNINII-UHFFFAOYSA-N 1 1 270.242 3.228 20 30 CGEDMO COc1cc(C[N@H+](CCC#N)C2CCCC2)cc(OC)c1 ZINC001203854264 812473554 /nfs/dbraw/zinc/47/35/54/812473554.db2.gz BMQVQTGQCOJUIN-UHFFFAOYSA-N 1 1 288.391 3.362 20 30 CGEDMO COc1cc(C[N@@H+](CCC#N)C2CCCC2)cc(OC)c1 ZINC001203854264 812473558 /nfs/dbraw/zinc/47/35/58/812473558.db2.gz BMQVQTGQCOJUIN-UHFFFAOYSA-N 1 1 288.391 3.362 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@](CF)(C(F)(F)F)C2)cc1 ZINC001203900208 812486834 /nfs/dbraw/zinc/48/68/34/812486834.db2.gz UGMBNGLLBQIENJ-ZDUSSCGKSA-N 1 1 286.272 3.282 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)cc1 ZINC001203904097 812488557 /nfs/dbraw/zinc/48/85/57/812488557.db2.gz VOERKVDMEAVROM-SFHVURJKSA-N 1 1 296.345 3.351 20 30 CGEDMO COc1ccc(C[N@@H+]2CC[C@@H](C#N)C2)c2ccccc12 ZINC001203996648 812513343 /nfs/dbraw/zinc/51/33/43/812513343.db2.gz WDCVDTOJCLADSJ-ZDUSSCGKSA-N 1 1 266.344 3.194 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@@H](C#N)C2)c2ccccc12 ZINC001203996648 812513346 /nfs/dbraw/zinc/51/33/46/812513346.db2.gz WDCVDTOJCLADSJ-ZDUSSCGKSA-N 1 1 266.344 3.194 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@](C)(CO)CC2)cc1 ZINC001204297280 812603237 /nfs/dbraw/zinc/60/32/37/812603237.db2.gz JZILAYANAIYKEV-SFHVURJKSA-N 1 1 289.419 3.236 20 30 CGEDMO CN(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1C#N ZINC001204372228 812623135 /nfs/dbraw/zinc/62/31/35/812623135.db2.gz AFWHSRYTEZMRND-UHFFFAOYSA-N 1 1 293.414 3.122 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(OC)c(Cn2cccn2)c1 ZINC001205108350 812869412 /nfs/dbraw/zinc/86/94/12/812869412.db2.gz PHQFHRKJUHPVRU-UHFFFAOYSA-N 1 1 299.418 3.338 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@@H](F)C(F)(F)CC2)ccc1F ZINC001205455692 812987065 /nfs/dbraw/zinc/98/70/65/812987065.db2.gz QCYXFAGKRNVBEJ-CYBMUJFWSA-N 1 1 286.272 3.267 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](F)C(F)(F)CC2)ccc1F ZINC001205455692 812987071 /nfs/dbraw/zinc/98/70/71/812987071.db2.gz QCYXFAGKRNVBEJ-CYBMUJFWSA-N 1 1 286.272 3.267 20 30 CGEDMO N#Cc1ccc(CO[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001205595918 813015744 /nfs/dbraw/zinc/01/57/44/813015744.db2.gz STMFKICQXMBGND-LJQANCHMSA-N 1 1 292.382 3.349 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccc3[nH]ccc3c2)CC1 ZINC001205599171 813018014 /nfs/dbraw/zinc/01/80/14/813018014.db2.gz NAVWSZPCWJOFTI-CYBMUJFWSA-N 1 1 253.349 3.294 20 30 CGEDMO C[C@@H]1CCN(Cc2c(Cl)cccc2C#N)CC[C@@H]1C[NH3+] ZINC001205626669 813031436 /nfs/dbraw/zinc/03/14/36/813031436.db2.gz HWMIAPDHVAWGJZ-CHWSQXEVSA-N 1 1 291.826 3.018 20 30 CGEDMO C[C@H]1CCN(Cc2c(Cl)cccc2C#N)CC[C@@H]1C[NH3+] ZINC001205626671 813031722 /nfs/dbraw/zinc/03/17/22/813031722.db2.gz HWMIAPDHVAWGJZ-QWHCGFSZSA-N 1 1 291.826 3.018 20 30 CGEDMO CCCCCCCCCC[N@@H+]1CCCC[C@@](O)(CN)C1 ZINC001205664523 813046069 /nfs/dbraw/zinc/04/60/69/813046069.db2.gz NTLATHRAQRTIIN-QGZVFWFLSA-N 1 1 284.488 3.303 20 30 CGEDMO CCCCCCCCCC[N@H+]1CCCC[C@@](O)(CN)C1 ZINC001205664523 813046079 /nfs/dbraw/zinc/04/60/79/813046079.db2.gz NTLATHRAQRTIIN-QGZVFWFLSA-N 1 1 284.488 3.303 20 30 CGEDMO CC(C)CCCC[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC001206039724 813177495 /nfs/dbraw/zinc/17/74/95/813177495.db2.gz GYHNYRKZCSXANF-MRXNPFEDSA-N 1 1 287.407 3.233 20 30 CGEDMO Cc1nc(C)c(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)s1 ZINC001206179286 813229312 /nfs/dbraw/zinc/22/93/12/813229312.db2.gz LPLIPXLGCCHUPH-XYYAHUGASA-N 1 1 261.394 3.027 20 30 CGEDMO CC(C)CCCC[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC001206576249 813358476 /nfs/dbraw/zinc/35/84/76/813358476.db2.gz ATODFVHESYTSHQ-QGZVFWFLSA-N 1 1 274.408 3.350 20 30 CGEDMO C=CCCCCCCC[N@H+]1CCC(F)(F)[C@H](N)C1 ZINC001206656513 813390965 /nfs/dbraw/zinc/39/09/65/813390965.db2.gz LQLGXQKPTCDITL-CYBMUJFWSA-N 1 1 260.372 3.181 20 30 CGEDMO Cc1cc(C[NH+]2CCC(c3cccc(C#N)c3)CC2)no1 ZINC001206818830 813445502 /nfs/dbraw/zinc/44/55/02/813445502.db2.gz IRTKZGZPGKDWOR-UHFFFAOYSA-N 1 1 281.359 3.234 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](CC2(c3ccccc3)CC2)CC1 ZINC001207838742 813658799 /nfs/dbraw/zinc/65/87/99/813658799.db2.gz QLXVIQPULBOWHB-OAHLLOKOSA-N 1 1 254.377 3.344 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](CC2(c3ccccc3)CC2)CC1 ZINC001207838741 813658983 /nfs/dbraw/zinc/65/89/83/813658983.db2.gz QLXVIQPULBOWHB-HNNXBMFYSA-N 1 1 254.377 3.344 20 30 CGEDMO C=CCCCCCCCCC[NH+]1CC(NC(C)=O)C1 ZINC001207899118 813666938 /nfs/dbraw/zinc/66/69/38/813666938.db2.gz MWOCBMWBTKFLGC-UHFFFAOYSA-N 1 1 266.429 3.114 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001208120966 813698483 /nfs/dbraw/zinc/69/84/83/813698483.db2.gz XDZYDGQEKYMUAF-VMFRVMOISA-N 1 1 257.393 3.308 20 30 CGEDMO CC1=C[C@H](C)[C@@H](C[N@H+]2CCC3SC(=O)C=C3C2)CC1 ZINC001208163483 813718945 /nfs/dbraw/zinc/71/89/45/813718945.db2.gz WTPFLLRTTRRUGO-GUTXKFCHSA-N 1 1 277.433 3.253 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCC(=O)[C@H](F)CC2)CC1 ZINC001208170138 813723964 /nfs/dbraw/zinc/72/39/64/813723964.db2.gz DAMJWLLRIJNNIF-HUUCEWRRSA-N 1 1 265.372 3.292 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC(=O)[C@H](F)CC2)CC1 ZINC001208170138 813723969 /nfs/dbraw/zinc/72/39/69/813723969.db2.gz DAMJWLLRIJNNIF-HUUCEWRRSA-N 1 1 265.372 3.292 20 30 CGEDMO C=C(C)[C@@H]1CC=C(CN2CC[NH+](C3CC3)CC2)CC1 ZINC001208171811 813725210 /nfs/dbraw/zinc/72/52/10/813725210.db2.gz XSAZHJXLRIHNRM-MRXNPFEDSA-N 1 1 260.425 3.069 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@@](F)(CO)CC2)CC1 ZINC001208171500 813726131 /nfs/dbraw/zinc/72/61/31/813726131.db2.gz VBMAZHNQGFNTIM-SJORKVTESA-N 1 1 281.415 3.476 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@@H](O)[C@@H](C)C2)CC1 ZINC001208171806 813726142 /nfs/dbraw/zinc/72/61/42/813726142.db2.gz ZPYASUCOVKURHO-USXIJHARSA-N 1 1 263.425 3.382 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H]3CCCN(C)[C@H]3C2)CC1 ZINC001208178307 813729488 /nfs/dbraw/zinc/72/94/88/813729488.db2.gz PXPZCBCDEADLRH-KURKYZTESA-N 1 1 274.452 3.315 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2[C@H]3CC[C@H](C3)[C@H]2C(=O)OC)CC1 ZINC001208179399 813730848 /nfs/dbraw/zinc/73/08/48/813730848.db2.gz XSYSFBHSAYDKMA-NCOADZHNSA-N 1 1 289.419 3.315 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCCCCF)C[C@H]1C ZINC001208389086 813758135 /nfs/dbraw/zinc/75/81/35/813758135.db2.gz XXKFLGXUGXHYNX-BZUAXINKSA-N 1 1 298.446 3.165 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](CC(CC)CC)C[C@H]1C ZINC001208393227 813759376 /nfs/dbraw/zinc/75/93/76/813759376.db2.gz LHHYYKGEXSCOIM-HLLBOEOZSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CCCC(C)C)C[C@H]1C ZINC001208511812 813765349 /nfs/dbraw/zinc/76/53/49/813765349.db2.gz KRXCRMPUQKKKEO-NUJGCVRESA-N 1 1 294.483 3.461 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CCCCCC)C[C@H]2C)C1 ZINC001208546992 813766325 /nfs/dbraw/zinc/76/63/25/813766325.db2.gz XUDLMSUBWCZAFG-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO N#CC1CCN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001208583119 813769853 /nfs/dbraw/zinc/76/98/53/813769853.db2.gz WLKGCXYANFAFNL-IBGZPJMESA-N 1 1 297.446 3.277 20 30 CGEDMO CN1CCC[C@@H](C[NH+]2CCC(c3cccc(C#N)c3)CC2)C1 ZINC001208607380 813774216 /nfs/dbraw/zinc/77/42/16/813774216.db2.gz MUKREDNOKJXHKP-QGZVFWFLSA-N 1 1 297.446 3.079 20 30 CGEDMO C=CC[N@H+](CC1CN(C(=O)OC(C)(C)C)C1)C(C)(C)C ZINC001208626965 813779143 /nfs/dbraw/zinc/77/91/43/813779143.db2.gz SFMUQJCTLSVQFY-UHFFFAOYSA-N 1 1 282.428 3.140 20 30 CGEDMO C=CCCCC[N@H+](C)CC1CN(C(=O)OC(C)(C)C)C1 ZINC001208623814 813779461 /nfs/dbraw/zinc/77/94/61/813779461.db2.gz SGGHTFHFGFRHKO-UHFFFAOYSA-N 1 1 282.428 3.141 20 30 CGEDMO CCCC[N@H+](CCC#N)C[C@H]1COC2(CCCCC2)O1 ZINC001208637948 813780699 /nfs/dbraw/zinc/78/06/99/813780699.db2.gz BMGRNFHQFASKOG-HNNXBMFYSA-N 1 1 280.412 3.078 20 30 CGEDMO CCCC[N@@H+](CCC#N)C[C@H]1COC2(CCCCC2)O1 ZINC001208637948 813780702 /nfs/dbraw/zinc/78/07/02/813780702.db2.gz BMGRNFHQFASKOG-HNNXBMFYSA-N 1 1 280.412 3.078 20 30 CGEDMO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](CC/C=C\CC)C2 ZINC001208727889 813816882 /nfs/dbraw/zinc/81/68/82/813816882.db2.gz UKTAOPKUGKRZKZ-WIJVFFIESA-N 1 1 293.451 3.416 20 30 CGEDMO CCC[N@H+](CCC#N)CCCc1ccccc1OC ZINC001208839709 813861758 /nfs/dbraw/zinc/86/17/58/813861758.db2.gz WYYHQXRVJVMTCD-UHFFFAOYSA-N 1 1 260.381 3.253 20 30 CGEDMO C[N@@H+](CCCc1cccc(C#N)c1)Cc1cncs1 ZINC001208854683 813865949 /nfs/dbraw/zinc/86/59/49/813865949.db2.gz SEVHJQSKQDAIRI-UHFFFAOYSA-N 1 1 271.389 3.079 20 30 CGEDMO COC(C)(C)[C@H]1CCC[N@H+]1CCCc1ccc(C#N)cc1 ZINC001208859335 813870605 /nfs/dbraw/zinc/87/06/05/813870605.db2.gz XIVMSLMFXOKIOR-QGZVFWFLSA-N 1 1 286.419 3.380 20 30 CGEDMO C[N@@H+](CCCc1ccc(C#N)cc1)Cc1cccc(O)c1 ZINC001208858931 813870699 /nfs/dbraw/zinc/87/06/99/813870699.db2.gz AUDRQPOZIIBJDZ-UHFFFAOYSA-N 1 1 280.371 3.328 20 30 CGEDMO C[C@@H]1CC[N@@H+](CCc2ccc(C#N)cc2)CCC1(F)F ZINC001208920930 813902393 /nfs/dbraw/zinc/90/23/93/813902393.db2.gz UFGRRPMXVDTTGJ-CYBMUJFWSA-N 1 1 278.346 3.468 20 30 CGEDMO C=CCN(CC[N@H+]1CCC[C@@H]2CCCC[C@H]21)C(=O)OCC ZINC001209021982 813916807 /nfs/dbraw/zinc/91/68/07/813916807.db2.gz HFRXPLWUTHXBOF-JKSUJKDBSA-N 1 1 294.439 3.286 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@@H]2[C@@H]1CN2C(=O)OC(C)(C)C ZINC001209200829 813965458 /nfs/dbraw/zinc/96/54/58/813965458.db2.gz PIEJXFHGQVVRDI-CABCVRRESA-N 1 1 294.439 3.426 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@@]2(C[C@H](OCC)CO2)C1 ZINC001209203441 813967118 /nfs/dbraw/zinc/96/71/18/813967118.db2.gz NVZUJHRGMNXZLW-JKSUJKDBSA-N 1 1 267.413 3.003 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001209202514 813967226 /nfs/dbraw/zinc/96/72/26/813967226.db2.gz JOIJQSOPAJRRAP-CQSZACIVSA-N 1 1 267.413 3.396 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001209423283 814026776 /nfs/dbraw/zinc/02/67/76/814026776.db2.gz LTBFQDLFVLHILI-CHWSQXEVSA-N 1 1 297.336 3.460 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001209427047 814027704 /nfs/dbraw/zinc/02/77/04/814027704.db2.gz DYMRHVDVKFUICK-MSOLQXFVSA-N 1 1 293.451 3.393 20 30 CGEDMO C=CCCCCC[N@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001209428198 814027887 /nfs/dbraw/zinc/02/78/87/814027887.db2.gz AMBANNXRXABKDA-UHFFFAOYSA-N 1 1 298.434 3.212 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OCC ZINC001209428974 814029903 /nfs/dbraw/zinc/02/99/03/814029903.db2.gz QJGACGINGNJZHZ-JYJNAYRXSA-N 1 1 279.424 3.396 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@@H](Oc2ncccn2)C1 ZINC001209432573 814033218 /nfs/dbraw/zinc/03/32/18/814033218.db2.gz HEDBAZWYRICTDO-OAHLLOKOSA-N 1 1 275.396 3.066 20 30 CGEDMO C=CCCCCCC[N@H+]1CCn2cnc(COCC)c2C1 ZINC001209436939 814037167 /nfs/dbraw/zinc/03/71/67/814037167.db2.gz DQSBFFCYEUNWHL-UHFFFAOYSA-N 1 1 291.439 3.372 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CCC[C@@H](C(=O)OC)C1 ZINC001209437992 814037235 /nfs/dbraw/zinc/03/72/35/814037235.db2.gz BCROUQDIFAWJSX-OAHLLOKOSA-N 1 1 267.413 3.398 20 30 CGEDMO C=CCCCCCC[N@@H+]1CC[C@H](Oc2ncc(C)cn2)C1 ZINC001209438807 814039836 /nfs/dbraw/zinc/03/98/36/814039836.db2.gz VVWYSDBCHXMISL-INIZCTEOSA-N 1 1 289.423 3.375 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CCO[C@H](CC(=O)OC)C1 ZINC001209444014 814043145 /nfs/dbraw/zinc/04/31/45/814043145.db2.gz KMNZMRROAORIHB-MRXNPFEDSA-N 1 1 297.439 3.167 20 30 CGEDMO C=CCCCCCCCC[N@H+]1CCO[C@H](CC(=O)OC)C1 ZINC001209444014 814043153 /nfs/dbraw/zinc/04/31/53/814043153.db2.gz KMNZMRROAORIHB-MRXNPFEDSA-N 1 1 297.439 3.167 20 30 CGEDMO C=CCCCCCCCC[N@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001209443536 814044133 /nfs/dbraw/zinc/04/41/33/814044133.db2.gz UXSOZYHSOMWKDK-CABCVRRESA-N 1 1 257.393 3.308 20 30 CGEDMO C=CCCCCCCCC[N@H+]1CCO[C@]2(CCOC2)C1 ZINC001209443122 814044368 /nfs/dbraw/zinc/04/43/68/814044368.db2.gz MFTOEVSILORNHS-QGZVFWFLSA-N 1 1 281.440 3.394 20 30 CGEDMO N#Cc1ccc(O[C@H]2CCC[N@@H+](Cc3cncs3)C2)cc1 ZINC001209552469 814082193 /nfs/dbraw/zinc/08/21/93/814082193.db2.gz JVWOJIBDCFMUEG-HNNXBMFYSA-N 1 1 299.399 3.058 20 30 CGEDMO C=CC[N@H+](Cc1cn(C)c2ncccc12)C(C)(C)C ZINC001209752229 814131580 /nfs/dbraw/zinc/13/15/80/814131580.db2.gz HBWNROKNGLMQIP-UHFFFAOYSA-N 1 1 257.381 3.360 20 30 CGEDMO N#Cc1ccc(F)cc1Nc1ccc2[nH]c[nH+]c2c1 ZINC001209847077 814164581 /nfs/dbraw/zinc/16/45/81/814164581.db2.gz NTDMTLUQCFYHJX-UHFFFAOYSA-N 1 1 252.252 3.317 20 30 CGEDMO N#Cc1cc(N)ccc1Nc1ccc2c[nH+]ccc2c1 ZINC001210053139 814266271 /nfs/dbraw/zinc/26/62/71/814266271.db2.gz UMNRYLNFSROTQI-UHFFFAOYSA-N 1 1 260.300 3.432 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)CC(C)C)C1 ZINC001210112300 814295694 /nfs/dbraw/zinc/29/56/94/814295694.db2.gz SLZJBUGPUQVLDD-BZUAXINKSA-N 1 1 280.456 3.071 20 30 CGEDMO Cc1[nH+]ccn1Cc1ccc(Nc2cccnc2C#N)cc1 ZINC001210147684 814310106 /nfs/dbraw/zinc/31/01/06/814310106.db2.gz XFOCBGHQBDDQJQ-UHFFFAOYSA-N 1 1 289.342 3.250 20 30 CGEDMO C[N@H+]1CC[C@H](OCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC001210235518 814357702 /nfs/dbraw/zinc/35/77/02/814357702.db2.gz HBDJBWOCFOEFIL-SFHVURJKSA-N 1 1 292.382 3.446 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C)C1 ZINC001210491804 814488878 /nfs/dbraw/zinc/48/88/78/814488878.db2.gz WSRZTCHEUHFSIM-HUUCEWRRSA-N 1 1 282.472 3.439 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC001211297380 814873833 /nfs/dbraw/zinc/87/38/33/814873833.db2.gz OYQBHQQSXTTXPZ-OAHLLOKOSA-N 1 1 295.471 3.010 20 30 CGEDMO CCCCCCCCCCO[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001217800886 815965609 /nfs/dbraw/zinc/96/56/09/815965609.db2.gz NWMCDKJSWYIVKZ-IRXDYDNUSA-N 1 1 282.472 3.190 20 30 CGEDMO CCCCCCCCCCO[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001217800886 815965613 /nfs/dbraw/zinc/96/56/13/815965613.db2.gz NWMCDKJSWYIVKZ-IRXDYDNUSA-N 1 1 282.472 3.190 20 30 CGEDMO CCCCCCCCCCO[C@@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001217803736 815966770 /nfs/dbraw/zinc/96/67/70/815966770.db2.gz NWMCDKJSWYIVKZ-DLBZAZTESA-N 1 1 282.472 3.190 20 30 CGEDMO CCCCCCCCCCO[C@@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001217803736 815966776 /nfs/dbraw/zinc/96/67/76/815966776.db2.gz NWMCDKJSWYIVKZ-DLBZAZTESA-N 1 1 282.472 3.190 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C3CCC3)[C@@H]2C1 ZINC001221219751 816307327 /nfs/dbraw/zinc/30/73/27/816307327.db2.gz HHZUADAFWCKEJD-IAGOWNOFSA-N 1 1 292.467 3.290 20 30 CGEDMO CCCCCCC[C@@H](C)CNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC001221270658 816308181 /nfs/dbraw/zinc/30/81/81/816308181.db2.gz GWNXGPWVBZAUPM-HZPDHXFCSA-N 1 1 297.487 3.376 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC(C)(C)C)[C@@H]2C1 ZINC001221269911 816308266 /nfs/dbraw/zinc/30/82/66/816308266.db2.gz BUSHVHALTFZXPF-BZUAXINKSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCCCC(C)C)[C@@H]2C1 ZINC001221853415 816330918 /nfs/dbraw/zinc/33/09/18/816330918.db2.gz JLPIKINMJARYAI-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@](C)(CC)CCC)[C@@H]2C1 ZINC001221896372 816333656 /nfs/dbraw/zinc/33/36/56/816333656.db2.gz HPEBBRAVAVEVAS-JFIYKMOQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)CC(C)C)[C@@H]2C1 ZINC001221930495 816335506 /nfs/dbraw/zinc/33/55/06/816335506.db2.gz MESRLOJNGAVXCZ-HZPDHXFCSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)CC(C)C)[C@@H]2C1 ZINC001221940283 816337149 /nfs/dbraw/zinc/33/71/49/816337149.db2.gz DHTGSFFWGIXMTK-BRWVUGGUSA-N 1 1 292.467 3.168 20 30 CGEDMO C#Cc1cccc(CN2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001222168162 816368064 /nfs/dbraw/zinc/36/80/64/816368064.db2.gz WFFFDUGUVRVBDK-FQEVSTJZSA-N 1 1 296.458 3.414 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C=C(CC)CC)C[C@@H]21 ZINC001222529258 816461374 /nfs/dbraw/zinc/46/13/74/816461374.db2.gz PBYDFHLLPAEQAL-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H](C)CC)C[C@@H]21 ZINC001222607659 816476408 /nfs/dbraw/zinc/47/64/08/816476408.db2.gz LPIVAHQQPXGGOW-ZACQAIPSSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)C[C@@H](C)CC)CC1 ZINC001222994541 816549835 /nfs/dbraw/zinc/54/98/35/816549835.db2.gz YDKBIGAFUWEDFB-LBPRGKRZSA-N 1 1 286.847 3.003 20 30 CGEDMO C=CCOc1ccccc1CO[C@@H]1CC[N@H+](C(C)C)C1 ZINC001223786423 816684209 /nfs/dbraw/zinc/68/42/09/816684209.db2.gz BWYFRXYEOOHGNC-MRXNPFEDSA-N 1 1 275.392 3.251 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCC1CC[NH+](CC(=C)Cl)CC1 ZINC001224394233 816792536 /nfs/dbraw/zinc/79/25/36/816792536.db2.gz ZZVISKIKEMEDPM-MRXNPFEDSA-N 1 1 298.858 3.169 20 30 CGEDMO CC[C@@H](C)CO[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001224667079 816846205 /nfs/dbraw/zinc/84/62/05/816846205.db2.gz DQGMAOUBMJMCIX-RHSMWYFYSA-N 1 1 272.392 3.195 20 30 CGEDMO CC[C@@H](C)CO[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001224667079 816846212 /nfs/dbraw/zinc/84/62/12/816846212.db2.gz DQGMAOUBMJMCIX-RHSMWYFYSA-N 1 1 272.392 3.195 20 30 CGEDMO C#C[C@H](OC[C@@H]1CCC[N@H+]1C)[C@H](CC)CCCC ZINC001224817245 816889124 /nfs/dbraw/zinc/88/91/24/816889124.db2.gz KDJPNYKMKSGVEC-PMPSAXMXSA-N 1 1 251.414 3.315 20 30 CGEDMO C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001225224691 816969617 /nfs/dbraw/zinc/96/96/17/816969617.db2.gz BLNWRBUTGZXSIM-WMLDXEAASA-N 1 1 293.370 3.168 20 30 CGEDMO Cc1cc(C#N)c(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)nc1C ZINC001225531590 817087125 /nfs/dbraw/zinc/08/71/25/817087125.db2.gz SGCSBNXHQMWBEX-FVQHAEBGSA-N 1 1 299.418 3.353 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](Oc2cc(Cl)cc(C#N)c2)C1 ZINC001225697198 817145663 /nfs/dbraw/zinc/14/56/63/817145663.db2.gz DQKCGJASBZJKMU-ZDUSSCGKSA-N 1 1 264.756 3.073 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)CCC2CCCC2)CC1 ZINC001225896790 817209521 /nfs/dbraw/zinc/20/95/21/817209521.db2.gz CQPUCZAUFMYUJJ-UHFFFAOYSA-N 1 1 298.858 3.290 20 30 CGEDMO C=C(C)n1c2ccccc2nc1O[C@H]1CCC[N@H+](CC)C1 ZINC001226218065 817301036 /nfs/dbraw/zinc/30/10/36/817301036.db2.gz CAKRZVQFELNQKI-AWEZNQCLSA-N 1 1 285.391 3.390 20 30 CGEDMO CC(C)c1ccc(C#N)c(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC001226356378 817334552 /nfs/dbraw/zinc/33/45/52/817334552.db2.gz QJIFJIXMNLLBDQ-FICVDOATSA-N 1 1 285.391 3.081 20 30 CGEDMO Cc1cc(C#N)cc(C)c1O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001226521353 817385804 /nfs/dbraw/zinc/38/58/04/817385804.db2.gz FWZBWTMHEQGFBY-ZSHCYNCHSA-N 1 1 270.376 3.179 20 30 CGEDMO C=CCc1ccc(O[C@H]2CC[N@H+](C(C)C)C2)c(OC)c1 ZINC001227927432 817756815 /nfs/dbraw/zinc/75/68/15/817756815.db2.gz ZBRWCUUYKXORJQ-HNNXBMFYSA-N 1 1 275.392 3.285 20 30 CGEDMO C=CCc1ccccc1O[C@H]1CCc2[nH+]ccn2C1 ZINC001228846481 818021202 /nfs/dbraw/zinc/02/12/02/818021202.db2.gz KOOCPKVLIUEMAM-AWEZNQCLSA-N 1 1 254.333 3.005 20 30 CGEDMO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1[C@H]1CCc2ccccc21 ZINC001231171196 818050902 /nfs/dbraw/zinc/05/09/02/818050902.db2.gz YWJBFTSKIZKFOL-AEFFLSMTSA-N 1 1 298.430 3.173 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC001231470040 818103871 /nfs/dbraw/zinc/10/38/71/818103871.db2.gz NOWSSHXVVHWOKH-UHFFFAOYSA-N 1 1 281.355 3.036 20 30 CGEDMO Cc1cc(C)c(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)cc1C ZINC001231483756 818107500 /nfs/dbraw/zinc/10/75/00/818107500.db2.gz YMKIWTHRXFNAOX-MRXNPFEDSA-N 1 1 287.428 3.386 20 30 CGEDMO Cc1cc(C)c(C[N@@H+]2CCC3SC(=O)C=C3C2)cc1C ZINC001231483756 818107503 /nfs/dbraw/zinc/10/75/03/818107503.db2.gz YMKIWTHRXFNAOX-MRXNPFEDSA-N 1 1 287.428 3.386 20 30 CGEDMO Cc1cc(C)c(C[N@H+]2CCC3SC(=O)C=C3C2)cc1C ZINC001231483756 818107506 /nfs/dbraw/zinc/10/75/06/818107506.db2.gz YMKIWTHRXFNAOX-MRXNPFEDSA-N 1 1 287.428 3.386 20 30 CGEDMO COCC[N@@H+](C)Cc1ccccc1C#Cc1ccccc1 ZINC001231579371 818127776 /nfs/dbraw/zinc/12/77/76/818127776.db2.gz ZONICCQXRJAZOU-UHFFFAOYSA-N 1 1 279.383 3.165 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001231616488 818137905 /nfs/dbraw/zinc/13/79/05/818137905.db2.gz CBMRFBPQUFEFFG-OKILXGFUSA-N 1 1 292.329 3.044 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](C)[C@H](C)C1 ZINC001231616626 818138092 /nfs/dbraw/zinc/13/80/92/818138092.db2.gz ISBGZDKQLGNOHR-ZIAGYGMSSA-N 1 1 272.392 3.435 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)c1 ZINC001231622419 818138726 /nfs/dbraw/zinc/13/87/26/818138726.db2.gz ZBTQFGNUIXLPPZ-BPUTZDHNSA-N 1 1 261.340 3.041 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)c1 ZINC001231622419 818138729 /nfs/dbraw/zinc/13/87/29/818138729.db2.gz ZBTQFGNUIXLPPZ-BPUTZDHNSA-N 1 1 261.340 3.041 20 30 CGEDMO SC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC001231631985 818142847 /nfs/dbraw/zinc/14/28/47/818142847.db2.gz QMSSCTCKDYQKJR-UHFFFAOYSA-N 1 1 274.389 3.236 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CCc3cc(F)ccc3C2)c1 ZINC001231661250 818151559 /nfs/dbraw/zinc/15/15/59/818151559.db2.gz QLMCBFFTZWZOTM-UHFFFAOYSA-N 1 1 265.331 3.365 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CCc3cc(F)ccc3C2)c1 ZINC001231661250 818151563 /nfs/dbraw/zinc/15/15/63/818151563.db2.gz QLMCBFFTZWZOTM-UHFFFAOYSA-N 1 1 265.331 3.365 20 30 CGEDMO C#Cc1cccc(C[N@@H+](C)CCc2ccccc2F)c1 ZINC001231661451 818152232 /nfs/dbraw/zinc/15/22/32/818152232.db2.gz UDLJMXFWPPBSGA-UHFFFAOYSA-N 1 1 267.347 3.482 20 30 CGEDMO Cc1cc(O)c(C[N@H+]2CCC[C@H](C#N)CC2)cc1Cl ZINC001231870788 818193954 /nfs/dbraw/zinc/19/39/54/818193954.db2.gz TZVISFKAKZBPHN-LBPRGKRZSA-N 1 1 278.783 3.480 20 30 CGEDMO N#Cc1ccccc1OC1CC[NH+](Cc2ccns2)CC1 ZINC001232192666 818273282 /nfs/dbraw/zinc/27/32/82/818273282.db2.gz UBHLVUYULYJWNS-UHFFFAOYSA-N 1 1 299.399 3.058 20 30 CGEDMO O=C1C=C2C[N@@H+](Cc3nccc4ccccc43)CC[C@H]2S1 ZINC001232249860 818293496 /nfs/dbraw/zinc/29/34/96/818293496.db2.gz UGZIWQMWMANEIS-MRXNPFEDSA-N 1 1 296.395 3.009 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3nccc4ccccc43)CC[C@H]2S1 ZINC001232249860 818293504 /nfs/dbraw/zinc/29/35/04/818293504.db2.gz UGZIWQMWMANEIS-MRXNPFEDSA-N 1 1 296.395 3.009 20 30 CGEDMO CSc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)cn1 ZINC001232328794 818316978 /nfs/dbraw/zinc/31/69/78/818316978.db2.gz KDLXHOKMFKRQGR-UHFFFAOYSA-N 1 1 283.400 3.307 20 30 CGEDMO COc1ccc(C[N@H+](CCC#N)C2CCCC2)c(C)n1 ZINC001232332883 818317109 /nfs/dbraw/zinc/31/71/09/818317109.db2.gz KTOJVIBFHCKRSN-UHFFFAOYSA-N 1 1 273.380 3.057 20 30 CGEDMO COc1ccc(C[N@@H+](CCC#N)C2CCCC2)c(C)n1 ZINC001232332883 818317112 /nfs/dbraw/zinc/31/71/12/818317112.db2.gz KTOJVIBFHCKRSN-UHFFFAOYSA-N 1 1 273.380 3.057 20 30 CGEDMO Cc1c(F)cc(C[N@@H+]2CCC[C@H](CC#N)C2)cc1F ZINC001232422868 818343474 /nfs/dbraw/zinc/34/34/74/818343474.db2.gz JQHJEZAHPASCRL-GFCCVEGCSA-N 1 1 264.319 3.399 20 30 CGEDMO Cc1c(F)cc(C[N@H+]2CCC[C@H](CC#N)C2)cc1F ZINC001232422868 818343477 /nfs/dbraw/zinc/34/34/77/818343477.db2.gz JQHJEZAHPASCRL-GFCCVEGCSA-N 1 1 264.319 3.399 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(CF)n1 ZINC001232535260 818379718 /nfs/dbraw/zinc/37/97/18/818379718.db2.gz OFWZXIGQJXJMLV-UHFFFAOYSA-N 1 1 269.323 3.055 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(CF)n1 ZINC001232535260 818379724 /nfs/dbraw/zinc/37/97/24/818379724.db2.gz OFWZXIGQJXJMLV-UHFFFAOYSA-N 1 1 269.323 3.055 20 30 CGEDMO C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)CC[C@@]1(C)O ZINC001232604776 818394356 /nfs/dbraw/zinc/39/43/56/818394356.db2.gz IJVLTZMWWNYQNT-MLGOLLRUSA-N 1 1 292.810 3.195 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)CC[C@@]1(C)O ZINC001232604776 818394361 /nfs/dbraw/zinc/39/43/61/818394361.db2.gz IJVLTZMWWNYQNT-MLGOLLRUSA-N 1 1 292.810 3.195 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001232889519 818465282 /nfs/dbraw/zinc/46/52/82/818465282.db2.gz JHWDHSNSNGIXNG-GXTWGEPZSA-N 1 1 258.340 3.319 20 30 CGEDMO N#Cc1cc(C[NH+]2C3CCC2CC3)ccc1Br ZINC001232895933 818467479 /nfs/dbraw/zinc/46/74/79/818467479.db2.gz XIAOKPRELQNZCA-UHFFFAOYSA-N 1 1 291.192 3.448 20 30 CGEDMO Cc1ccc(C[N@@H+]2CC[C@@H](F)C(F)(F)CC2)c(C#N)c1 ZINC001232962829 818484277 /nfs/dbraw/zinc/48/42/77/818484277.db2.gz RVDWKNNKXFTAOR-CQSZACIVSA-N 1 1 282.309 3.436 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@@H](F)C(F)(F)CC2)c(C#N)c1 ZINC001232962829 818484280 /nfs/dbraw/zinc/48/42/80/818484280.db2.gz RVDWKNNKXFTAOR-CQSZACIVSA-N 1 1 282.309 3.436 20 30 CGEDMO N#Cc1cc[nH]c1C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001233047527 818508926 /nfs/dbraw/zinc/50/89/26/818508926.db2.gz BXUZAQGMMWVHDK-AWEZNQCLSA-N 1 1 269.323 3.015 20 30 CGEDMO N#Cc1cc[nH]c1C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001233047527 818508933 /nfs/dbraw/zinc/50/89/33/818508933.db2.gz BXUZAQGMMWVHDK-AWEZNQCLSA-N 1 1 269.323 3.015 20 30 CGEDMO C[N@@H+](Cc1[nH]nc2cc(F)ccc21)Cc1ccc(C#N)cc1 ZINC001233124576 818527026 /nfs/dbraw/zinc/52/70/26/818527026.db2.gz LYBPWBDEASAGKR-UHFFFAOYSA-N 1 1 294.333 3.206 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]2c2ccccc2)c([O-])c1 ZINC001233386801 818607674 /nfs/dbraw/zinc/60/76/74/818607674.db2.gz JFOQNTKZVVDQJD-MRXNPFEDSA-N 1 1 264.328 3.211 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H]2c2ccccc2)c(O)c1 ZINC001233386801 818607677 /nfs/dbraw/zinc/60/76/77/818607677.db2.gz JFOQNTKZVVDQJD-MRXNPFEDSA-N 1 1 264.328 3.211 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]2c2ccccc2)c(O)c1 ZINC001233386801 818607683 /nfs/dbraw/zinc/60/76/83/818607683.db2.gz JFOQNTKZVVDQJD-MRXNPFEDSA-N 1 1 264.328 3.211 20 30 CGEDMO CCCCCCC[N@@H+](C)CCCNC(=O)C=C(C)C ZINC001233545368 818637933 /nfs/dbraw/zinc/63/79/33/818637933.db2.gz UVKXZNVSTRCAKD-UHFFFAOYSA-N 1 1 268.445 3.361 20 30 CGEDMO CCCCCCC[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1C ZINC001233519125 818631476 /nfs/dbraw/zinc/63/14/76/818631476.db2.gz ZVSUUZNVRRZZAS-HUUCEWRRSA-N 1 1 268.445 3.051 20 30 CGEDMO C/C=C(\C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCCCCCC ZINC001233568918 818644256 /nfs/dbraw/zinc/64/42/56/818644256.db2.gz HIYHOVZRRHSSNF-KBHCHJSJSA-N 1 1 280.456 3.456 20 30 CGEDMO CC[N@H+]1CC[C@H](Oc2ccc3cccc(C#N)c3c2)C1 ZINC001233570663 818645437 /nfs/dbraw/zinc/64/54/37/818645437.db2.gz WLHONTLBDMHCSR-INIZCTEOSA-N 1 1 266.344 3.184 20 30 CGEDMO C#CCCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CCCCCC ZINC001233799690 818707048 /nfs/dbraw/zinc/70/70/48/818707048.db2.gz AADRIRFSFVHBMX-KRWDZBQOSA-N 1 1 292.467 3.293 20 30 CGEDMO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC/C=C\CCC ZINC001233966628 818742410 /nfs/dbraw/zinc/74/24/10/818742410.db2.gz NPYHIFBKDFNZOL-XZVRFQMRSA-N 1 1 290.451 3.069 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1c[nH]c(=O)c2ccccc12 ZINC001234007613 818755247 /nfs/dbraw/zinc/75/52/47/818755247.db2.gz HNOZASORCARACE-UHFFFAOYSA-N 1 1 256.349 3.338 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)CCCC ZINC001234049365 818767968 /nfs/dbraw/zinc/76/79/68/818767968.db2.gz HCRWKFOVNJIPMX-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C[N@H+]1CC[C@H](Oc2ccccc2C=NNc2ccccc2)C1 ZINC001234078964 818773906 /nfs/dbraw/zinc/77/39/06/818773906.db2.gz FSEJPWKKEUHBFQ-KRWDZBQOSA-N 1 1 295.386 3.216 20 30 CGEDMO CCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234215647 818802747 /nfs/dbraw/zinc/80/27/47/818802747.db2.gz NZPNXEPVJVITNO-MRXNPFEDSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N(C)C[C@H]1CC[N@H+]1CC=C(C)C ZINC001234509658 818870372 /nfs/dbraw/zinc/87/03/72/818870372.db2.gz NOWFIYRVFCCBGR-CQSZACIVSA-N 1 1 298.858 3.264 20 30 CGEDMO C=CCCCCCCCN1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235009449 818979114 /nfs/dbraw/zinc/97/91/14/818979114.db2.gz ZYNSWLYGTCJGAW-SFHVURJKSA-N 1 1 294.483 3.215 20 30 CGEDMO N#CC1CC[NH+](Cc2cc3cccc(F)c3[nH]2)CC1 ZINC001235233307 819042246 /nfs/dbraw/zinc/04/22/46/819042246.db2.gz DFZHIZMZIMTVLI-UHFFFAOYSA-N 1 1 257.312 3.043 20 30 CGEDMO COC[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1CC#N)C2 ZINC001235516028 819112264 /nfs/dbraw/zinc/11/22/64/819112264.db2.gz XXGKISYZWYERAR-MSOLQXFVSA-N 1 1 284.403 3.001 20 30 CGEDMO N#CCc1ccccc1C[N@H+]1CCc2cccc(O)c2C1 ZINC001235525582 819114275 /nfs/dbraw/zinc/11/42/75/819114275.db2.gz PHWXLOPUEVALBU-UHFFFAOYSA-N 1 1 278.355 3.017 20 30 CGEDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccccc2CC#N)cc1 ZINC001235525563 819114572 /nfs/dbraw/zinc/11/45/72/819114572.db2.gz ODPMFRLSFDBSTB-UHFFFAOYSA-N 1 1 293.414 3.451 20 30 CGEDMO C[C@H]1CC[N@H+](Cc2c(F)cc(C#N)cc2F)[C@@H](C)C1 ZINC001235659248 819130666 /nfs/dbraw/zinc/13/06/66/819130666.db2.gz UDJDROWLRFAAGK-QWRGUYRKSA-N 1 1 264.319 3.457 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2c(F)cc(C#N)cc2F)[C@@H](C)C1 ZINC001235659248 819130668 /nfs/dbraw/zinc/13/06/68/819130668.db2.gz UDJDROWLRFAAGK-QWRGUYRKSA-N 1 1 264.319 3.457 20 30 CGEDMO C[N@@H+](Cc1c(F)cc(C#N)cc1F)C[C@H]1CC1(C)C ZINC001235663875 819131390 /nfs/dbraw/zinc/13/13/90/819131390.db2.gz LVHMAAGSZDQQIA-LLVKDONJSA-N 1 1 264.319 3.314 20 30 CGEDMO C[N@H+](Cc1c(F)cc(C#N)cc1F)C[C@H]1CC1(C)C ZINC001235663875 819131396 /nfs/dbraw/zinc/13/13/96/819131396.db2.gz LVHMAAGSZDQQIA-LLVKDONJSA-N 1 1 264.319 3.314 20 30 CGEDMO CCCCCCC[N@@H+](CC)CC[C@H]1COC(C)(C)N1 ZINC001235660529 819131742 /nfs/dbraw/zinc/13/17/42/819131742.db2.gz FZPMEBZXQITPKN-HNNXBMFYSA-N 1 1 270.461 3.393 20 30 CGEDMO C=CCCCCCCCC[N@H+]1C[C@@H]2CC[C@@]2(N)C1 ZINC001235981089 819256641 /nfs/dbraw/zinc/25/66/41/819256641.db2.gz UKIBBLQVMZNSAA-JKSUJKDBSA-N 1 1 250.430 3.326 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1C[C@@H]2CC[C@@]2(N)C1 ZINC001235981089 819256645 /nfs/dbraw/zinc/25/66/45/819256645.db2.gz UKIBBLQVMZNSAA-JKSUJKDBSA-N 1 1 250.430 3.326 20 30 CGEDMO C=CCCCCCCCCN1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235981089 819256651 /nfs/dbraw/zinc/25/66/51/819256651.db2.gz UKIBBLQVMZNSAA-JKSUJKDBSA-N 1 1 250.430 3.326 20 30 CGEDMO C=CCCCCCCCCC[N@H+]1C[C@H]2C[C@@]2(N)C1 ZINC001236015530 819275650 /nfs/dbraw/zinc/27/56/50/819275650.db2.gz MDOQRFNPQGXRRC-HZPDHXFCSA-N 1 1 250.430 3.326 20 30 CGEDMO C=CCCCCCCCCC[N@@H+]1C[C@H]2C[C@@]2(N)C1 ZINC001236015530 819275654 /nfs/dbraw/zinc/27/56/54/819275654.db2.gz MDOQRFNPQGXRRC-HZPDHXFCSA-N 1 1 250.430 3.326 20 30 CGEDMO CCCCCCCCCCCN1CC(N2CC[NH2+]CC2)C1 ZINC001236158335 819350055 /nfs/dbraw/zinc/35/00/55/819350055.db2.gz OCNDFTHSDKJWGS-UHFFFAOYSA-N 1 1 295.515 3.107 20 30 CGEDMO C=CC[N@H+](C[C@H]1[C@H](C)CNCC1(F)F)C1CCCCC1 ZINC001236434751 819478516 /nfs/dbraw/zinc/47/85/16/819478516.db2.gz WMJSZXQFOYFJMX-HIFRSBDPSA-N 1 1 286.410 3.298 20 30 CGEDMO COc1ccc(C#N)cc1-c1ccc(C[N@@H+](C)C2CC2)cn1 ZINC001236537773 819528124 /nfs/dbraw/zinc/52/81/24/819528124.db2.gz AUWAZDZTZSSQDF-UHFFFAOYSA-N 1 1 293.370 3.223 20 30 CGEDMO C=CC[N@H+](Cc1cnc(OCC)c(F)c1)C(C)(C)C ZINC001236698731 819575519 /nfs/dbraw/zinc/57/55/19/819575519.db2.gz WMJWVPXJMDBQQO-UHFFFAOYSA-N 1 1 266.360 3.406 20 30 CGEDMO N#Cc1ccc(C[NH+]2CCC(F)CC2)cc1Br ZINC001236858334 819624123 /nfs/dbraw/zinc/62/41/23/819624123.db2.gz VKDTYHPTNDQRQW-UHFFFAOYSA-N 1 1 297.171 3.255 20 30 CGEDMO CCCCCCCC[N@H+]1CCN[C@H](C(F)(F)F)C1 ZINC001236978824 819639764 /nfs/dbraw/zinc/63/97/64/819639764.db2.gz BCTJLPNJSWFFMA-LBPRGKRZSA-N 1 1 266.351 3.183 20 30 CGEDMO C#CC[N@@H+](C)Cc1ccc(-c2ccccc2Cl)nc1 ZINC001237014674 819643872 /nfs/dbraw/zinc/64/38/72/819643872.db2.gz BRYGXFDFMJLLGD-UHFFFAOYSA-N 1 1 270.763 3.467 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(-c2ccccc2Cl)nc1 ZINC001237014674 819643874 /nfs/dbraw/zinc/64/38/74/819643874.db2.gz BRYGXFDFMJLLGD-UHFFFAOYSA-N 1 1 270.763 3.467 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)CC1OC=CC1=S ZINC001237177931 819687538 /nfs/dbraw/zinc/68/75/38/819687538.db2.gz HAXDREDBUHEKOC-UHFFFAOYSA-N 1 1 258.346 3.072 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1sc(=O)[nH]c1Cl ZINC001237170556 819688222 /nfs/dbraw/zinc/68/82/22/819688222.db2.gz YITKYPDOJGURHS-UHFFFAOYSA-N 1 1 260.790 3.290 20 30 CGEDMO N#CCC1CC[NH+](Cc2ccncc2C(F)(F)F)CC1 ZINC001237288401 819718153 /nfs/dbraw/zinc/71/81/53/819718153.db2.gz CIUUZWCFBFHAOJ-UHFFFAOYSA-N 1 1 283.297 3.226 20 30 CGEDMO CCO[C@@H]1CCC[N@@H+](Cc2cn(C)c3ccc(C#N)cc23)C1 ZINC001237470969 819758697 /nfs/dbraw/zinc/75/86/97/819758697.db2.gz LSNCTRBPEZTMJG-MRXNPFEDSA-N 1 1 297.402 3.051 20 30 CGEDMO C=CC[N@H+](C)Cc1c(Cl)c2ccccc2[nH]c1=O ZINC001237497868 819764870 /nfs/dbraw/zinc/76/48/70/819764870.db2.gz REFPEPPWWVBMAR-UHFFFAOYSA-N 1 1 262.740 3.212 20 30 CGEDMO N#Cc1cc(C[N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)c(F)cc1F ZINC001237524612 819770018 /nfs/dbraw/zinc/77/00/18/819770018.db2.gz KWPPCKSLUMLOOO-TXEJJXNPSA-N 1 1 298.283 3.314 20 30 CGEDMO N#Cc1cc(C[N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)c(F)cc1F ZINC001237524612 819770024 /nfs/dbraw/zinc/77/00/24/819770024.db2.gz KWPPCKSLUMLOOO-TXEJJXNPSA-N 1 1 298.283 3.314 20 30 CGEDMO CCOc1ccc(C[N@@H+]2CCC[C@H](C#N)CC2)c(F)c1 ZINC001237634587 819794108 /nfs/dbraw/zinc/79/41/08/819794108.db2.gz KACACHVLYWFDDH-ZDUSSCGKSA-N 1 1 276.355 3.350 20 30 CGEDMO CCOc1ccc(C[N@H+]2CCC[C@H](C#N)CC2)c(F)c1 ZINC001237634587 819794110 /nfs/dbraw/zinc/79/41/10/819794110.db2.gz KACACHVLYWFDDH-ZDUSSCGKSA-N 1 1 276.355 3.350 20 30 CGEDMO CCc1[nH]ncc1C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001237651875 819799832 /nfs/dbraw/zinc/79/98/32/819799832.db2.gz ASEASGIYCNNYEN-UHFFFAOYSA-N 1 1 294.402 3.223 20 30 CGEDMO C=CC[N@H+](C)Cc1cc(Br)c(C)cc1O ZINC001237680518 819806819 /nfs/dbraw/zinc/80/68/19/819806819.db2.gz CSCCOIAFWKEOMR-UHFFFAOYSA-N 1 1 270.170 3.081 20 30 CGEDMO N#CCC[N@@H+](Cc1c[nH]ccc1=O)C1CCCCCCC1 ZINC001237835855 819855407 /nfs/dbraw/zinc/85/54/07/819855407.db2.gz AWGZVSUSZHGEGX-UHFFFAOYSA-N 1 1 287.407 3.203 20 30 CGEDMO N#CCC[N@H+](Cc1c[nH]ccc1=O)C1CCCCCCC1 ZINC001237835855 819855423 /nfs/dbraw/zinc/85/54/23/819855423.db2.gz AWGZVSUSZHGEGX-UHFFFAOYSA-N 1 1 287.407 3.203 20 30 CGEDMO Oc1cc(Cl)c(F)cc1C[NH+]1CCC(S)CC1 ZINC001237950354 819892952 /nfs/dbraw/zinc/89/29/52/819892952.db2.gz RMXYIZXNAFYMFV-UHFFFAOYSA-N 1 1 275.776 3.079 20 30 CGEDMO CCC[N@@H+](CCOC)Cc1ccc(C#N)cc1Cl ZINC001238080340 819926277 /nfs/dbraw/zinc/92/62/77/819926277.db2.gz ONUOSBLILUQXQM-UHFFFAOYSA-N 1 1 266.772 3.070 20 30 CGEDMO CC[N@@H+](C)C1CCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC001238084367 819928324 /nfs/dbraw/zinc/92/83/24/819928324.db2.gz HWLDPCHCMIYFJF-UHFFFAOYSA-N 1 1 291.826 3.128 20 30 CGEDMO N#Cc1ccc2c(c1)CC[N@@H+](Cc1cncc(C3CC3)c1)C2 ZINC001238181098 819949692 /nfs/dbraw/zinc/94/96/92/819949692.db2.gz CMQZYPSPFYZZAL-UHFFFAOYSA-N 1 1 289.382 3.389 20 30 CGEDMO N#Cc1ccc2c(c1)CC[N@H+](Cc1cncc(C3CC3)c1)C2 ZINC001238181098 819949695 /nfs/dbraw/zinc/94/96/95/819949695.db2.gz CMQZYPSPFYZZAL-UHFFFAOYSA-N 1 1 289.382 3.389 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cncc(C3CC3)c2)C1 ZINC001238190602 819951422 /nfs/dbraw/zinc/95/14/22/819951422.db2.gz SQSIHVTXJTXMCH-CYBMUJFWSA-N 1 1 255.365 3.085 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2cccc(-c3cc[nH]n3)c2)CC1 ZINC001238209028 819957480 /nfs/dbraw/zinc/95/74/80/819957480.db2.gz YBZRLQYCQHKFRD-CQSZACIVSA-N 1 1 280.375 3.202 20 30 CGEDMO Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)ncc1Cl ZINC001238424080 819991770 /nfs/dbraw/zinc/99/17/70/819991770.db2.gz VJMZZBOXHSTNNY-DEZZGGKRSA-N 1 1 275.783 3.310 20 30 CGEDMO Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)ncc1Cl ZINC001238424080 819991777 /nfs/dbraw/zinc/99/17/77/819991777.db2.gz VJMZZBOXHSTNNY-DEZZGGKRSA-N 1 1 275.783 3.310 20 30 CGEDMO CC(C)Oc1cc(C[NH+]2CCC(CC#N)CC2)cnc1F ZINC001238599123 820056641 /nfs/dbraw/zinc/05/66/41/820056641.db2.gz FFTNNUDCJIGHKP-UHFFFAOYSA-N 1 1 291.370 3.134 20 30 CGEDMO C#CC[N@H+](C)Cc1cc(C)cnc1-c1ccccc1 ZINC001238624218 820064936 /nfs/dbraw/zinc/06/49/36/820064936.db2.gz ITFWULNWFAKOFE-UHFFFAOYSA-N 1 1 250.345 3.122 20 30 CGEDMO CCc1cc(C[N@@H+]2CC[C@](C)(F)[C@@H](F)C2)ccc1C#N ZINC001238767079 820113727 /nfs/dbraw/zinc/11/37/27/820113727.db2.gz RPCCWGSVHRCMMD-HOTGVXAUSA-N 1 1 278.346 3.393 20 30 CGEDMO CCc1cc(C[N@H+]2CC[C@](C)(F)[C@@H](F)C2)ccc1C#N ZINC001238767079 820113730 /nfs/dbraw/zinc/11/37/30/820113730.db2.gz RPCCWGSVHRCMMD-HOTGVXAUSA-N 1 1 278.346 3.393 20 30 CGEDMO CCCCCCCCOC(=O)N1CCC(F)(F)[C@@H]([NH3+])C1 ZINC001239330069 820274661 /nfs/dbraw/zinc/27/46/61/820274661.db2.gz LFPUDHAJUQJPGR-LBPRGKRZSA-N 1 1 292.370 3.152 20 30 CGEDMO Cc1cc(-c2cc(C#N)cc(C3C[NH2+]C3)c2)cc2nc[nH]c21 ZINC001240345497 820981208 /nfs/dbraw/zinc/98/12/08/820981208.db2.gz JSZKXJAMHYDYDE-UHFFFAOYSA-N 1 1 288.354 3.097 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C=C(CC)CC)C(C)(C)C1 ZINC001330184190 935274037 /nfs/dbraw/zinc/27/40/37/935274037.db2.gz LSKODJKMDLSICN-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)C1CCC=CCC1 ZINC001327292231 935051673 /nfs/dbraw/zinc/05/16/73/935051673.db2.gz ZLHRBJPMDIOFJH-UHFFFAOYSA-N 1 1 298.858 3.266 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCN(C)C(=O)C1CCC=CCC1 ZINC001327292231 935051679 /nfs/dbraw/zinc/05/16/79/935051679.db2.gz ZLHRBJPMDIOFJH-UHFFFAOYSA-N 1 1 298.858 3.266 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC001340921715 936420348 /nfs/dbraw/zinc/42/03/48/936420348.db2.gz NOAMJRQUQIVBGA-MRXNPFEDSA-N 1 1 284.359 3.119 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC001340921715 936420350 /nfs/dbraw/zinc/42/03/50/936420350.db2.gz NOAMJRQUQIVBGA-MRXNPFEDSA-N 1 1 284.359 3.119 20 30 CGEDMO C#CC[N@H+](CCC(=O)Nc1cccc(Cl)c1)CC1CC1 ZINC001341067460 936426436 /nfs/dbraw/zinc/42/64/36/936426436.db2.gz NGCHHIMLDDNJJG-UHFFFAOYSA-N 1 1 290.794 3.014 20 30 CGEDMO C[C@H]1CCc2nc(C[NH+]3CCC(CC#N)CC3)sc2C1 ZINC001342092479 936458975 /nfs/dbraw/zinc/45/89/75/936458975.db2.gz GBOYTFUKHUQUJL-LBPRGKRZSA-N 1 1 289.448 3.394 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC001342229051 936462401 /nfs/dbraw/zinc/46/24/01/936462401.db2.gz RSUOTHDNYGJOGP-LLVKDONJSA-N 1 1 269.747 3.256 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC001342229051 936462402 /nfs/dbraw/zinc/46/24/02/936462402.db2.gz RSUOTHDNYGJOGP-LLVKDONJSA-N 1 1 269.747 3.256 20 30 CGEDMO C=CCO[C@H]1CC[N@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC001342228214 936462843 /nfs/dbraw/zinc/46/28/43/936462843.db2.gz IMMNKIHOICEGJV-DOTOQJQBSA-N 1 1 275.367 3.480 20 30 CGEDMO C=CC[N@@H+](C)CCc1ccc(OC(F)(F)F)cc1 ZINC001343046534 936487548 /nfs/dbraw/zinc/48/75/48/936487548.db2.gz GCMGGFUCJDLDDA-UHFFFAOYSA-N 1 1 259.271 3.246 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC001343242954 936491728 /nfs/dbraw/zinc/49/17/28/936491728.db2.gz SZCJXIGMDSAPEZ-ZDUSSCGKSA-N 1 1 269.747 3.256 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC001343242954 936491730 /nfs/dbraw/zinc/49/17/30/936491730.db2.gz SZCJXIGMDSAPEZ-ZDUSSCGKSA-N 1 1 269.747 3.256 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cccnc1N(C)C ZINC001347138015 936871453 /nfs/dbraw/zinc/87/14/53/936871453.db2.gz LKJCJDDAERZSCZ-UHFFFAOYSA-N 1 1 261.413 3.326 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCC[N@@H+](CCCCCF)C1 ZINC001479909817 936922695 /nfs/dbraw/zinc/92/26/95/936922695.db2.gz RLUVUGQFUVMFSN-WBVHZDCISA-N 1 1 298.446 3.309 20 30 CGEDMO C=C[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)c1ccccc1 ZINC001348516225 936924203 /nfs/dbraw/zinc/92/42/03/936924203.db2.gz BQQOHQFYLZNGIU-ZWKOTPCHSA-N 1 1 298.430 3.089 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC001349646791 936955584 /nfs/dbraw/zinc/95/55/84/936955584.db2.gz OGNSOWQWQLAIQM-SQNIBIBYSA-N 1 1 287.403 3.184 20 30 CGEDMO CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC)C1)c1cccc(C#N)c1 ZINC001350636925 936997017 /nfs/dbraw/zinc/99/70/17/936997017.db2.gz UYGTWQGONUMDAQ-SJLPKXTDSA-N 1 1 285.435 3.331 20 30 CGEDMO CC[C@@H]([NH2+]C[C@H]1CCCN(CC)C1)c1cccc(C#N)c1 ZINC001350636925 936997019 /nfs/dbraw/zinc/99/70/19/936997019.db2.gz UYGTWQGONUMDAQ-SJLPKXTDSA-N 1 1 285.435 3.331 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)C[C@@H](C)C2CC2)C1 ZINC001480272536 937041504 /nfs/dbraw/zinc/04/15/04/937041504.db2.gz VFANPDOZHDJMJH-OCCSQVGLSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)C[C@@H](C)C2CC2)C1 ZINC001480272536 937041507 /nfs/dbraw/zinc/04/15/07/937041507.db2.gz VFANPDOZHDJMJH-OCCSQVGLSA-N 1 1 298.858 3.003 20 30 CGEDMO CC(C)C#CC(=O)NCC[N@@H+](C)CCC1CCCCCC1 ZINC001480861684 926679296 /nfs/dbraw/zinc/67/92/96/926679296.db2.gz NSVCHANIHOVQQV-UHFFFAOYSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)[C@@H](C)[C@@H](C)C(C)(C)C)C1CC1 ZINC001493427815 926710427 /nfs/dbraw/zinc/71/04/27/926710427.db2.gz UAVSYDDCWSTTPP-LSDHHAIUSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCNC(=O)c1cc2ccc(C)cc2[nH]1 ZINC001480895321 926759103 /nfs/dbraw/zinc/75/91/03/926759103.db2.gz KLVLCGRTNZNGDL-UHFFFAOYSA-N 1 1 299.418 3.104 20 30 CGEDMO CC#CC[N@@H+](C)CCNC(=O)c1cccc(C2CCCC2)c1 ZINC001480935167 926821476 /nfs/dbraw/zinc/82/14/76/926821476.db2.gz KPMNJQONZBMRPG-UHFFFAOYSA-N 1 1 298.430 3.029 20 30 CGEDMO C=CCCC[N@H+](CC)CCNC(=O)[C@H]1CCCC1(C)C ZINC001480993665 926853192 /nfs/dbraw/zinc/85/31/92/926853192.db2.gz HZADYNLJUFXSMV-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)C1(F)CCCCC1 ZINC001481010252 926857786 /nfs/dbraw/zinc/85/77/86/926857786.db2.gz QBRFDJDPSUPKMA-UHFFFAOYSA-N 1 1 284.419 3.063 20 30 CGEDMO C=C(C)CC[N@@H+](CCNC(=O)c1ccc(C)s1)C1CC1 ZINC001481158601 926900745 /nfs/dbraw/zinc/90/07/45/926900745.db2.gz SQOMMXPNOJKUKK-UHFFFAOYSA-N 1 1 292.448 3.217 20 30 CGEDMO C#CC[N@H+](CCCNC(=O)[C@@]1(C)CCC[C@H]1CC)C(C)C ZINC001481350994 926965571 /nfs/dbraw/zinc/96/55/71/926965571.db2.gz VYKLZQCXMRVUFH-AEFFLSMTSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](N(CCC)C(=O)C(C)(C)F)C1 ZINC001481387750 926974098 /nfs/dbraw/zinc/97/40/98/926974098.db2.gz CUZQQEYHQUIHTH-LSDHHAIUSA-N 1 1 298.446 3.402 20 30 CGEDMO C=CCCC(=O)N(CCC)[C@H]1CC[N@@H+](CC[C@H](C)F)C1 ZINC001481398418 926978164 /nfs/dbraw/zinc/97/81/64/926978164.db2.gz UCWYROZGXMSPOH-GJZGRUSLSA-N 1 1 284.419 3.014 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)CC2CC(C)(C)C2)C1 ZINC001481447040 926987902 /nfs/dbraw/zinc/98/79/02/926987902.db2.gz OZIHMYIXVLBBID-OAHLLOKOSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C)s2)C1 ZINC001481476338 926996070 /nfs/dbraw/zinc/99/60/70/926996070.db2.gz VHDHSTFETMBNDZ-AWEZNQCLSA-N 1 1 292.448 3.027 20 30 CGEDMO CCCCCCC[N@@H+](C)C[C@H]1CCN(C(=O)C(F)F)C1 ZINC001481474122 926997058 /nfs/dbraw/zinc/99/70/58/926997058.db2.gz HUAPPQFPNZCZDT-CYBMUJFWSA-N 1 1 290.398 3.002 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(F)=C2CCCC2)C1 ZINC001481483156 927000699 /nfs/dbraw/zinc/00/06/99/927000699.db2.gz ZOQZPZRIXGNTQX-AWEZNQCLSA-N 1 1 294.414 3.140 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccsc2C)C1 ZINC001481486942 927001373 /nfs/dbraw/zinc/00/13/73/927001373.db2.gz UBLWXNUBHYHNSR-AWEZNQCLSA-N 1 1 292.448 3.027 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2ccccc2)C1 ZINC001481523232 927013501 /nfs/dbraw/zinc/01/35/01/927013501.db2.gz ZXTWSDWRTXQQHP-NVXWUHKLSA-N 1 1 286.419 3.236 20 30 CGEDMO C=CCC[NH+]1CC(NC(=O)[C@@H](CCC)CC2CCCC2)C1 ZINC001481587373 927035001 /nfs/dbraw/zinc/03/50/01/927035001.db2.gz QCBLNMRRUCKMHU-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCCC(C)C ZINC001481679331 927056183 /nfs/dbraw/zinc/05/61/83/927056183.db2.gz CRAIWEBXRXPHRQ-IRXDYDNUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)C[C@H](C=C)c2ccccc2)C1 ZINC001481696441 927062252 /nfs/dbraw/zinc/06/22/52/927062252.db2.gz LBJZSMYCVNLLIW-WMZOPIPTSA-N 1 1 298.430 3.113 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](CCCCC)C(C)C)C1 ZINC001481695213 927063663 /nfs/dbraw/zinc/06/36/63/927063663.db2.gz YCFBWMVVJYISII-IRXDYDNUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2sccc2F)C1 ZINC001481701244 927064849 /nfs/dbraw/zinc/06/48/49/927064849.db2.gz GASXQDKIMLJHPJ-VXGBXAGGSA-N 1 1 296.411 3.046 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001481708390 927067699 /nfs/dbraw/zinc/06/76/99/927067699.db2.gz JSRMQQSVBFNMCV-CQSZACIVSA-N 1 1 268.445 3.193 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)CC(C)=C(C)C)C1 ZINC001481773593 927089364 /nfs/dbraw/zinc/08/93/64/927089364.db2.gz YDGSNQXANXYUBZ-MRXNPFEDSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)/C=C/C(C)(C)C ZINC001482586963 927305215 /nfs/dbraw/zinc/30/52/15/927305215.db2.gz UNLBKLVWBHFULA-AYJWMTRPSA-N 1 1 280.456 3.334 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)c1ccc(C)s1 ZINC001483304485 927476590 /nfs/dbraw/zinc/47/65/90/927476590.db2.gz OIJFJHMCWSNMSB-LBPRGKRZSA-N 1 1 280.437 3.073 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)C1CCC2(CC2)CC1 ZINC001483363525 927489381 /nfs/dbraw/zinc/48/93/81/927489381.db2.gz KXBJJOTVUCCTLF-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H]1CNC(=O)CC(C)(C)C ZINC001483628744 927552293 /nfs/dbraw/zinc/55/22/93/927552293.db2.gz GUDPRRPPULWHLB-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H]2CC[N@H+]2CCC2CCCC2)C1 ZINC001483679370 927569393 /nfs/dbraw/zinc/56/93/93/927569393.db2.gz IJBARSVTTFWPSL-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCCC)C1 ZINC001483803048 927624471 /nfs/dbraw/zinc/62/44/71/927624471.db2.gz YSWHDNZARKPBQY-IAGOWNOFSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CCC(=O)N(C)C1C[NH+]([C@@H]2CCc3ccccc32)C1 ZINC001483864435 927638086 /nfs/dbraw/zinc/63/80/86/927638086.db2.gz KSAQRZPWQUHCOA-GOSISDBHSA-N 1 1 298.430 3.173 20 30 CGEDMO C=CCCCC(=O)N[C@@]1(C)CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001484059502 927668680 /nfs/dbraw/zinc/66/86/80/927668680.db2.gz SXVDYEYVEJWFCO-SFHVURJKSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](F)CC)C1 ZINC001484055545 927670271 /nfs/dbraw/zinc/67/02/71/927670271.db2.gz ZJDUIQJGXBUPBK-GDBMZVCRSA-N 1 1 284.419 3.062 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C/C=C/Cl)C2 ZINC001484317641 927691582 /nfs/dbraw/zinc/69/15/82/927691582.db2.gz HULVGYWBIOEREE-UGJSGUFQSA-N 1 1 296.842 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H](C)CC(C)C ZINC001484466823 927709714 /nfs/dbraw/zinc/70/97/14/927709714.db2.gz XBNTWKWNYIVYIK-BRWVUGGUSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC(C)C ZINC001484457635 927710431 /nfs/dbraw/zinc/71/04/31/927710431.db2.gz WUULCSCXESMVNV-HOTGVXAUSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC(C)C ZINC001484460628 927710901 /nfs/dbraw/zinc/71/09/01/927710901.db2.gz PXYOAGXANAYOQZ-CVEARBPZSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]2C[N@H+](CC[C@H](C)F)C[C@H]21 ZINC001484473116 927712093 /nfs/dbraw/zinc/71/20/93/927712093.db2.gz MUQKWZAHWIUBJV-HRCADAONSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)CCCC)CC1 ZINC001484705890 927740018 /nfs/dbraw/zinc/74/00/18/927740018.db2.gz AYTWJECCAYIZEH-HNNXBMFYSA-N 1 1 266.429 3.114 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)CCC)CC1 ZINC001484712005 927740683 /nfs/dbraw/zinc/74/06/83/927740683.db2.gz LOWPOSZNJUFXLQ-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)CCCCC)CC1 ZINC001484728730 927745637 /nfs/dbraw/zinc/74/56/37/927745637.db2.gz UZSMJKXPHMKSFE-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C[C@@H]([NH2+]Cc1cncc(C#N)c1)c1nc2ccccc2s1 ZINC001473355764 937190462 /nfs/dbraw/zinc/19/04/62/937190462.db2.gz MNZMOVMJOFULIU-LLVKDONJSA-N 1 1 294.383 3.414 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C(C)(C)C)C(C)(C)C1 ZINC001484936452 927774745 /nfs/dbraw/zinc/77/47/45/927774745.db2.gz JFVFWJXTABXVRW-CABCVRRESA-N 1 1 294.483 3.461 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)C(CCC)CCC)C[C@@H]1C ZINC001484976754 927777043 /nfs/dbraw/zinc/77/70/43/927777043.db2.gz OJVDTHLZAWGFGV-DOTOQJQBSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CC[N@H+](CC)CC1CCN(C(=O)[C@@H](C)[C@H](C)CC)CC1 ZINC001485033343 927791824 /nfs/dbraw/zinc/79/18/24/927791824.db2.gz DUGPDRIFZKZZGD-CVEARBPZSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@H]1C[N@@H+](C)C/C=C\Cl ZINC001485069067 927799329 /nfs/dbraw/zinc/79/93/29/927799329.db2.gz LDZJMLAXFWSGDS-SLLMGYAOSA-N 1 1 298.858 3.264 20 30 CGEDMO C=CCCC(=O)NC[C@@H](C)[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC001485283824 927840554 /nfs/dbraw/zinc/84/05/54/927840554.db2.gz AIGAVZBUNSZVGE-MRXNPFEDSA-N 1 1 288.435 3.206 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)c1cc2occc2s1 ZINC001485350345 927851867 /nfs/dbraw/zinc/85/18/67/927851867.db2.gz NRZDCFXJVKVCRV-LLVKDONJSA-N 1 1 292.404 3.121 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H](C)[N@H+](C)CCC(C)C ZINC001485356409 927856832 /nfs/dbraw/zinc/85/68/32/927856832.db2.gz LCWZDRUHRBYCPA-CQSZACIVSA-N 1 1 268.445 3.071 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)CCCC(C)C)C(C)(C)C1 ZINC001485578659 927891194 /nfs/dbraw/zinc/89/11/94/927891194.db2.gz WNDPZLKHVLLGDP-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CCCC2(CN(C(=O)C3(CC)CC3)C2)C1 ZINC001485664743 927899662 /nfs/dbraw/zinc/89/96/62/927899662.db2.gz MKCQOYSJYCDPAQ-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C#CCCCCCC[NH2+][C@@H](CC)C(=O)OC(C)(C)C ZINC001474595722 937207598 /nfs/dbraw/zinc/20/75/98/937207598.db2.gz XUEMYKJSRKSKKC-AWEZNQCLSA-N 1 1 267.413 3.280 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)CCCCC)[C@@H]1C ZINC001486163391 927993995 /nfs/dbraw/zinc/99/39/95/927993995.db2.gz HEOFJPSFSPWHGO-GJZGRUSLSA-N 1 1 266.429 3.112 20 30 CGEDMO CCCC[N@@H+](C)CCN(C(=O)C#CC(C)(C)C)C(C)C ZINC001486368474 928008640 /nfs/dbraw/zinc/00/86/40/928008640.db2.gz OXYNPESWJUHDEV-UHFFFAOYSA-N 1 1 280.456 3.005 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C(=O)C=C1CCC1)C(C)C ZINC001486366992 928010220 /nfs/dbraw/zinc/01/02/20/928010220.db2.gz OCKZYSRBZOEXGM-UHFFFAOYSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C(=O)CC(C)(F)F)C(C)C ZINC001486374695 928014534 /nfs/dbraw/zinc/01/45/34/928014534.db2.gz GMHYVOMLKRSWAS-UHFFFAOYSA-N 1 1 290.398 3.167 20 30 CGEDMO C#C[C@H]1CCCC[N@@H+]1Cc1cccc(OC(F)F)c1 ZINC001560208919 937211905 /nfs/dbraw/zinc/21/19/05/937211905.db2.gz IAELRGOAEQZCBD-ZDUSSCGKSA-N 1 1 265.303 3.276 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)C[C@@H]2CCC[C@H]2C)CC1 ZINC001486510175 928030480 /nfs/dbraw/zinc/03/04/80/928030480.db2.gz VAPFRTHPGIFGOQ-WBVHZDCISA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)[C@H](C)c2ccccc2)CC1 ZINC001486519475 928032233 /nfs/dbraw/zinc/03/22/33/928032233.db2.gz NBYOMTPCPTVNQB-MRXNPFEDSA-N 1 1 298.430 3.115 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000217669328 928158016 /nfs/dbraw/zinc/15/80/16/928158016.db2.gz PCPMQKHBPNAIRK-UHFFFAOYSA-N 1 1 269.266 3.183 20 30 CGEDMO N#CCC[N@H+](Cc1cccnc1)C1CCC(CC#N)CC1 ZINC001173330878 928229136 /nfs/dbraw/zinc/22/91/36/928229136.db2.gz GYRJOMQMLRNJGV-UHFFFAOYSA-N 1 1 282.391 3.270 20 30 CGEDMO N#CCC[N@@H+](Cc1cccnc1)C1CCC(CC#N)CC1 ZINC001173330878 928229146 /nfs/dbraw/zinc/22/91/46/928229146.db2.gz GYRJOMQMLRNJGV-UHFFFAOYSA-N 1 1 282.391 3.270 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1OC(F)F)C(C)C ZINC001198026274 928269570 /nfs/dbraw/zinc/26/95/70/928269570.db2.gz CEVNXAXMZWFMJY-UHFFFAOYSA-N 1 1 253.292 3.132 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C1(CF)CCC1 ZINC001488665584 928288430 /nfs/dbraw/zinc/28/84/30/928288430.db2.gz ZKMYBAXPBZQMFD-HUUCEWRRSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCC(=C)C)C1 ZINC001488884726 928305291 /nfs/dbraw/zinc/30/52/91/928305291.db2.gz HZARKVQDCULPDA-ZWKOTPCHSA-N 1 1 298.430 3.113 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](F)C(C)C)CC(C)(C)C1 ZINC001489348279 928328169 /nfs/dbraw/zinc/32/81/69/928328169.db2.gz UNYAURVQFVUXQJ-LSDHHAIUSA-N 1 1 298.446 3.163 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCCNC(=O)C1=CCCCCC1 ZINC001490181046 928335180 /nfs/dbraw/zinc/33/51/80/928335180.db2.gz JLFYIMNAPFDBIW-UHFFFAOYSA-N 1 1 278.440 3.281 20 30 CGEDMO CC[C@H](C)C[N@@H+](CCCNC(=O)C#CC(C)(C)C)C1CC1 ZINC001490372785 928351917 /nfs/dbraw/zinc/35/19/17/928351917.db2.gz WPIANZOHOVIYIT-HNNXBMFYSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2sccc2Cl)C1 ZINC001490544012 928366333 /nfs/dbraw/zinc/36/63/33/928366333.db2.gz MDWRPVRJRQFTFG-LLVKDONJSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@H+](CC=C(C)C)C2)CCCC1 ZINC001490582107 928375135 /nfs/dbraw/zinc/37/51/35/928375135.db2.gz IYFJCLLLBJDQNP-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001490582205 928375291 /nfs/dbraw/zinc/37/52/91/928375291.db2.gz LMSZRCXIEXSIAD-AWEZNQCLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+](C)CCNC(=O)[C@H](C)c1cccc(Cl)c1 ZINC001492865598 937242309 /nfs/dbraw/zinc/24/23/09/937242309.db2.gz CMXRTJGNJKWECF-CYBMUJFWSA-N 1 1 294.826 3.068 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)c1ccccc1C(C)C ZINC001320006984 928487449 /nfs/dbraw/zinc/48/74/49/928487449.db2.gz FYBQETHDLNXNCX-UHFFFAOYSA-N 1 1 288.435 3.390 20 30 CGEDMO C#CCOCC[N@H+](C)Cc1ccc(-c2cccs2)cc1 ZINC001320953006 928500320 /nfs/dbraw/zinc/50/03/20/928500320.db2.gz MERNOHDCTJBSHM-UHFFFAOYSA-N 1 1 285.412 3.497 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001307848851 928510169 /nfs/dbraw/zinc/51/01/69/928510169.db2.gz JRGNHIYGGIKSND-LSDHHAIUSA-N 1 1 294.439 3.284 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H](CNC(=O)C[C@@H]2CC=CCC2)C1 ZINC001493225220 928774086 /nfs/dbraw/zinc/77/40/86/928774086.db2.gz FVDCIYIEIQXOIS-SJORKVTESA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]2C[N@@H+](CCCC)CC[C@H]21 ZINC001490985468 928824718 /nfs/dbraw/zinc/82/47/18/928824718.db2.gz ZRFGPNDEDFSEQA-DLBZAZTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](CC)CCCC ZINC001491200643 928841659 /nfs/dbraw/zinc/84/16/59/928841659.db2.gz OZPOBRWEBGOYAR-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO CC#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CCCC(C)C)C1 ZINC001491295472 928853972 /nfs/dbraw/zinc/85/39/72/928853972.db2.gz BIPCWTVHDRMUKA-SJORKVTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCCCCN(C)C(=O)[C@H]1CCC[N@H+](C(C)C)C1 ZINC001444423949 937351976 /nfs/dbraw/zinc/35/19/76/937351976.db2.gz QVYJIHPELBHRGR-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO CCCCCCCCC[N@@H+](C)[C@H]1CCCCNC1=O ZINC001459438319 937487950 /nfs/dbraw/zinc/48/79/50/937487950.db2.gz NPSYEAUJVPXGNU-HNNXBMFYSA-N 1 1 268.445 3.338 20 30 CGEDMO C=CCOCC[N@H+](CCC)[C@@H]1C[C@@H](OCC)C1(C)C ZINC001459533029 937490934 /nfs/dbraw/zinc/49/09/34/937490934.db2.gz MXDYEFOLBKKSOT-HUUCEWRRSA-N 1 1 269.429 3.105 20 30 CGEDMO C#CC[N@@H+](CC)CCCOc1cccc(C(F)(F)F)c1 ZINC001459610119 937493019 /nfs/dbraw/zinc/49/30/19/937493019.db2.gz POEUWBQTMWHWKB-UHFFFAOYSA-N 1 1 285.309 3.429 20 30 CGEDMO Cc1ccccc1CC[N@@H+](C)CCOc1ccccc1C#N ZINC001460153784 937517970 /nfs/dbraw/zinc/51/79/70/937517970.db2.gz VLICGZRSKQDCBW-UHFFFAOYSA-N 1 1 294.398 3.420 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](C[C@H]2CCC[C@@]3(CCOC3)O2)C1 ZINC001460361134 937528588 /nfs/dbraw/zinc/52/85/88/937528588.db2.gz LJNNRTJVAFPUBQ-ZACQAIPSSA-N 1 1 279.424 3.003 20 30 CGEDMO COc1cc(C[N@H+](C)[C@H](C)c2ccc(C#N)cc2)sn1 ZINC001460835117 937548423 /nfs/dbraw/zinc/54/84/23/937548423.db2.gz OQVZYNFFGIJJOW-LLVKDONJSA-N 1 1 287.388 3.216 20 30 CGEDMO COc1cc(C[N@@H+](C)[C@H](C)c2ccc(C#N)cc2)sn1 ZINC001460835117 937548426 /nfs/dbraw/zinc/54/84/26/937548426.db2.gz OQVZYNFFGIJJOW-LLVKDONJSA-N 1 1 287.388 3.216 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1nnc(-c2ccccc2O)o1 ZINC001460886281 937550457 /nfs/dbraw/zinc/55/04/57/937550457.db2.gz LIYHDLOJNFNBEA-ZDUSSCGKSA-N 1 1 299.374 3.373 20 30 CGEDMO C[C@H]1CC[N@H+]1Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139402180 931951960 /nfs/dbraw/zinc/95/19/60/931951960.db2.gz NKVLRXFJFTYPCP-ZDUSSCGKSA-N 1 1 263.344 3.214 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1C[C@@H](O)c1cccc(F)c1 ZINC001460890642 937551112 /nfs/dbraw/zinc/55/11/12/937551112.db2.gz OOSKPZIICIDZRD-HZPDHXFCSA-N 1 1 263.356 3.290 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCc3ccsc3C2)CC1 ZINC001460891808 937551263 /nfs/dbraw/zinc/55/12/63/937551263.db2.gz SVOMUTLVKHDUJG-UHFFFAOYSA-N 1 1 260.406 3.436 20 30 CGEDMO N#Cc1ccc(Cl)c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c1 ZINC001140601205 931959202 /nfs/dbraw/zinc/95/92/02/931959202.db2.gz IOGNZGZCYLQRIX-SGMGOOAPSA-N 1 1 264.731 3.144 20 30 CGEDMO C=CCc1ccc(O)c(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001229341484 932135703 /nfs/dbraw/zinc/13/57/03/932135703.db2.gz JZRXLKQYSZSCML-QDMKHBRRSA-N 1 1 273.376 3.125 20 30 CGEDMO CSc1ccc(C[NH2+]Cc2ccc(C#N)s2)o1 ZINC001461588534 937587221 /nfs/dbraw/zinc/58/72/21/937587221.db2.gz IQKZMDVZZLOLGE-UHFFFAOYSA-N 1 1 264.375 3.224 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCCC)CC1 ZINC001230512559 932580190 /nfs/dbraw/zinc/58/01/90/932580190.db2.gz AJYKOGXWVQICHI-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCCCC)CC1 ZINC001230509230 932580725 /nfs/dbraw/zinc/58/07/25/932580725.db2.gz WXCVYDCWJDTYLX-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C=C(C)C ZINC001230675644 932607305 /nfs/dbraw/zinc/60/73/05/932607305.db2.gz IPBPFJPBFNMPOM-MRXNPFEDSA-N 1 1 278.440 3.232 20 30 CGEDMO CC(C)C1(C[N@@H+](CCN(C)C)Cc2ccc(C#N)cc2)CC1 ZINC001462210328 937625426 /nfs/dbraw/zinc/62/54/26/937625426.db2.gz LPTYICCWBVHVGG-UHFFFAOYSA-N 1 1 299.462 3.358 20 30 CGEDMO CC(C)C1(CN(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC1 ZINC001462210328 937625428 /nfs/dbraw/zinc/62/54/28/937625428.db2.gz LPTYICCWBVHVGG-UHFFFAOYSA-N 1 1 299.462 3.358 20 30 CGEDMO C#C[C@H](N[C@H]1CCC[N@H+](CC)C1)c1ccc(Cl)cc1F ZINC001462224885 937626286 /nfs/dbraw/zinc/62/62/86/937626286.db2.gz JQWKXZZLJCYRST-BBRMVZONSA-N 1 1 294.801 3.227 20 30 CGEDMO CCCCCCCC[N@@H+](C)C[C@H](O)COC(C)C ZINC001252674591 932721984 /nfs/dbraw/zinc/72/19/84/932721984.db2.gz POWYGJLQURZJSS-HNNXBMFYSA-N 1 1 259.434 3.065 20 30 CGEDMO C=CCCCC[N@H+](C)C1CCN(Cc2ccncc2)CC1 ZINC001256593801 932728796 /nfs/dbraw/zinc/72/87/96/932728796.db2.gz CNAUBQZTTKGBIR-UHFFFAOYSA-N 1 1 287.451 3.334 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1CC=CCC1 ZINC001316600282 932744839 /nfs/dbraw/zinc/74/48/39/932744839.db2.gz IDYNLNRKPBWLSS-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)CC(C)(C)C ZINC001316611077 932748286 /nfs/dbraw/zinc/74/82/86/932748286.db2.gz XAFJKSUEDDMOFZ-HNNXBMFYSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)CC(CC)CC ZINC001316607481 932748725 /nfs/dbraw/zinc/74/87/25/932748725.db2.gz OXENWMALWJYQFS-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[C@@H]([NH2+][C@@H](CC)CCC(F)(F)F)C(=O)OCC ZINC001462194269 937622745 /nfs/dbraw/zinc/62/27/45/937622745.db2.gz YKKMHSFGNMOSIU-WDEREUQCSA-N 1 1 281.318 3.205 20 30 CGEDMO C=CCCCCC[C@H](C)[NH2+][C@@H](C)C(=O)OC(C)C ZINC001462254188 937627463 /nfs/dbraw/zinc/62/74/63/937627463.db2.gz REDSBRMPILJHTJ-KBPBESRZSA-N 1 1 255.402 3.441 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@H]1CNC(=O)C[C@@H]1CC=CCC1 ZINC001317173765 932783762 /nfs/dbraw/zinc/78/37/62/932783762.db2.gz NBLQTCVIVDPLNH-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO COC1(C[N@@H+](C)CC(C)(C)C#N)CCCCCC1 ZINC001462271225 937628827 /nfs/dbraw/zinc/62/88/27/937628827.db2.gz LTNXQHFIHCMUOP-UHFFFAOYSA-N 1 1 252.402 3.207 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC001491903791 932794638 /nfs/dbraw/zinc/79/46/38/932794638.db2.gz FSIABCAPRGCIEC-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)C2(F)CCCC2)C1 ZINC001491934097 932797897 /nfs/dbraw/zinc/79/78/97/932797897.db2.gz HCOAXDBGWNROIN-OAHLLOKOSA-N 1 1 296.430 3.158 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[C@H]1CC ZINC001492171763 932808958 /nfs/dbraw/zinc/80/89/58/932808958.db2.gz RLGVNNCRJOQFDX-RBSFLKMASA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1CCCNC(=O)CC(C)C ZINC001492136253 932809338 /nfs/dbraw/zinc/80/93/38/932809338.db2.gz RRGOUQJLRVUUHG-CQSZACIVSA-N 1 1 286.847 3.146 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)C(C)=C1CCCC1 ZINC001492227180 932810205 /nfs/dbraw/zinc/81/02/05/932810205.db2.gz JUUSAWRSELWDMY-CQSZACIVSA-N 1 1 278.440 3.280 20 30 CGEDMO C=C[C@H](CC)CC(=O)NCC[N@@H+](C)CC1=CCCCC1 ZINC001492381360 932815670 /nfs/dbraw/zinc/81/56/70/932815670.db2.gz MCMOTYWOIQGRFE-OAHLLOKOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CC[N@H+](C)CCNC(=O)[C@@H](CC(C)C)c1ccccc1 ZINC001492448569 932816665 /nfs/dbraw/zinc/81/66/65/932816665.db2.gz XATHSADEWCPFIH-KRWDZBQOSA-N 1 1 288.435 3.050 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C=C2CCC2)C1 ZINC001317200651 932818740 /nfs/dbraw/zinc/81/87/40/932818740.db2.gz LDTROYLTAVXNIZ-WBVHZDCISA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](CCC)C1 ZINC001317202216 932819203 /nfs/dbraw/zinc/81/92/03/932819203.db2.gz FHSSHEQCPINFTO-RDJZCZTQSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)C2CC=CC2)C1 ZINC001317370126 932855789 /nfs/dbraw/zinc/85/57/89/932855789.db2.gz JNLSOPYKVPSEQF-WBVHZDCISA-N 1 1 290.451 3.230 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc3ccc(F)cc3[nH]c2=O)C1 ZINC001462365806 937635645 /nfs/dbraw/zinc/63/56/45/937635645.db2.gz FZAMKBGEWCGFIL-CYBMUJFWSA-N 1 1 298.361 3.315 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](CCC)C(C)C ZINC001317430967 932869434 /nfs/dbraw/zinc/86/94/34/932869434.db2.gz CXLQSQDEIWYCGX-IRXDYDNUSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](C[C@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC001462461602 937643298 /nfs/dbraw/zinc/64/32/98/937643298.db2.gz PIEOBZDMHWLEDL-HUUCEWRRSA-N 1 1 289.394 3.358 20 30 CGEDMO C#Cc1cccc(NC(=O)C[N@H+](C)CC23CCC(CC2)C3)c1 ZINC001307421093 932949153 /nfs/dbraw/zinc/94/91/53/932949153.db2.gz BFWAHPRTCIENKB-UHFFFAOYSA-N 1 1 296.414 3.119 20 30 CGEDMO C=CC[C@@H]1[N@@H+](C[C@@H](C)CN2CCOCC2)CCCC1(C)C ZINC001307730190 932992548 /nfs/dbraw/zinc/99/25/48/932992548.db2.gz UVRQECYWXGITQC-IRXDYDNUSA-N 1 1 294.483 3.021 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@H](O)[C@@H]1CCc1ccccc1 ZINC001307872570 933012487 /nfs/dbraw/zinc/01/24/87/933012487.db2.gz SJXWCNUIDVJMIJ-ROUUACIJSA-N 1 1 273.420 3.411 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1CC1CCCC1 ZINC001307887999 933015347 /nfs/dbraw/zinc/01/53/47/933015347.db2.gz XSKVGACQYAFBGE-CVEARBPZSA-N 1 1 251.414 3.358 20 30 CGEDMO C=C(CC)C[N@@H+](CC(=O)OC(C)(C)C)CC1CC1 ZINC001307899732 933016602 /nfs/dbraw/zinc/01/66/02/933016602.db2.gz JNKFOVOIFJHDTR-UHFFFAOYSA-N 1 1 253.386 3.006 20 30 CGEDMO C=C(CC)C[N@H+](CC(=O)OC(C)(C)C)CC1CC1 ZINC001307899732 933016605 /nfs/dbraw/zinc/01/66/05/933016605.db2.gz JNKFOVOIFJHDTR-UHFFFAOYSA-N 1 1 253.386 3.006 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)c(Cl)c1)C1CSC1 ZINC001307917693 933020654 /nfs/dbraw/zinc/02/06/54/933020654.db2.gz ANGGFLSCTYUENW-UHFFFAOYSA-N 1 1 269.772 3.030 20 30 CGEDMO C#CC[N@H+](Cc1ccc(F)c(Cl)c1)C1CSC1 ZINC001307917693 933020657 /nfs/dbraw/zinc/02/06/57/933020657.db2.gz ANGGFLSCTYUENW-UHFFFAOYSA-N 1 1 269.772 3.030 20 30 CGEDMO C=CC[N@H+](CCc1ccc(CC)cc1)[C@H](C)COC ZINC001307923126 933021069 /nfs/dbraw/zinc/02/10/69/933021069.db2.gz DLUPSVVXIIJMMM-OAHLLOKOSA-N 1 1 261.409 3.314 20 30 CGEDMO C=CC[N@H+](Cc1cc(OC)ccc1Cl)[C@H](C)COC ZINC001307924791 933022894 /nfs/dbraw/zinc/02/28/94/933022894.db2.gz SYVIEHYCENDAAM-GFCCVEGCSA-N 1 1 283.799 3.372 20 30 CGEDMO C=CC[N@@H+](Cc1cc(OC)ccc1Cl)[C@H](C)COC ZINC001307924791 933022896 /nfs/dbraw/zinc/02/28/96/933022896.db2.gz SYVIEHYCENDAAM-GFCCVEGCSA-N 1 1 283.799 3.372 20 30 CGEDMO C#CCC[N@H+](CCOC)CCC1C[C@H](C)C[C@@H](C)C1 ZINC001307955606 933025097 /nfs/dbraw/zinc/02/50/97/933025097.db2.gz CNDZGGKLKOVXKH-HZPDHXFCSA-N 1 1 265.441 3.421 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](CC[C@H]2CCc3ccccc32)C1 ZINC001308067753 933043343 /nfs/dbraw/zinc/04/33/43/933043343.db2.gz KFMKMBGDMNBLME-DOTOQJQBSA-N 1 1 253.389 3.452 20 30 CGEDMO C#CCC1(C(=O)NCC[N@H+](C)CCCCC)CCCCC1 ZINC001317473462 933046050 /nfs/dbraw/zinc/04/60/50/933046050.db2.gz VJUBWQZYDKNNKT-UHFFFAOYSA-N 1 1 292.467 3.198 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1nccc(OC)c1OC ZINC001308137694 933055422 /nfs/dbraw/zinc/05/54/22/933055422.db2.gz UAHQBBFBEBENEH-CYBMUJFWSA-N 1 1 276.380 3.029 20 30 CGEDMO C=CC[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](C2CCCC2)C1 ZINC001308157891 933059389 /nfs/dbraw/zinc/05/93/89/933059389.db2.gz QIVXEDMBGKNDBM-CABCVRRESA-N 1 1 265.397 3.006 20 30 CGEDMO C[C@@H]([N@@H+](C)Cc1cc(C#N)ccc1N(C)C)C(C)(C)C ZINC001308628379 933145216 /nfs/dbraw/zinc/14/52/16/933145216.db2.gz WDDNDJAZSWQFOR-CYBMUJFWSA-N 1 1 273.424 3.491 20 30 CGEDMO C#C[C@H](C)[N@H+](C)CC(CC)(CC)CNC(=O)OC(C)(C)C ZINC001308724690 933166079 /nfs/dbraw/zinc/16/60/79/933166079.db2.gz PHBQGYDKKMBDNE-AWEZNQCLSA-N 1 1 296.455 3.271 20 30 CGEDMO C=CC[C@H]([NH2+]CCCC1CCCCC1)C(=O)OCC ZINC001308741752 933168408 /nfs/dbraw/zinc/16/84/08/933168408.db2.gz YUYYXXFWBORTGE-HNNXBMFYSA-N 1 1 267.413 3.444 20 30 CGEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CC2(CCC2)[C@H]1C1CC1 ZINC001308802360 933178984 /nfs/dbraw/zinc/17/89/84/933178984.db2.gz LUPSDLDDUWFSTD-GOSISDBHSA-N 1 1 295.430 3.389 20 30 CGEDMO C=C(C)C[C@@H]([NH2+]CC1C2CC3CC(C2)CC1C3)C(=O)OC ZINC001308899991 933199157 /nfs/dbraw/zinc/19/91/57/933199157.db2.gz ALCMWJFRKXKZJC-QXGXVAPBSA-N 1 1 291.435 3.156 20 30 CGEDMO C=C(C)C[C@H]([NH2+]C[C@H]1CCC[C@H](CC)C1)C(=O)OC ZINC001308901810 933199744 /nfs/dbraw/zinc/19/97/44/933199744.db2.gz NKACTRDMSNIPOZ-KKUMJFAQSA-N 1 1 267.413 3.300 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001316977277 933461693 /nfs/dbraw/zinc/46/16/93/933461693.db2.gz GULGSUCAMLECQO-JKSUJKDBSA-N 1 1 290.451 3.114 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)CCC)CC(C)(C)C1 ZINC001316808595 933467232 /nfs/dbraw/zinc/46/72/32/933467232.db2.gz WXSJPCDBFZIOCQ-HOTGVXAUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@](C)(F)CCCC)[C@H]1CC ZINC001316732377 933477414 /nfs/dbraw/zinc/47/74/14/933477414.db2.gz CFGLCZTVVFXRHO-UXLLHSPISA-N 1 1 298.446 3.450 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(CC)CC)C[C@@H]2C1 ZINC001316746707 933477427 /nfs/dbraw/zinc/47/74/27/933477427.db2.gz BBDCARPJKGAFLA-SJORKVTESA-N 1 1 292.467 3.169 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1CC[N@@H+](CCC2CC2)[C@@H]1CC ZINC001316737466 933477929 /nfs/dbraw/zinc/47/79/29/933477929.db2.gz NFRLMAXUGDEEHA-JZXOWHBKSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](CCC)C(C)C)[C@H]1C ZINC001316795021 933482967 /nfs/dbraw/zinc/48/29/67/933482967.db2.gz PODUUFFTZDWVFP-PMPSAXMXSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCCC[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001316838989 933488454 /nfs/dbraw/zinc/48/84/54/933488454.db2.gz YSEMJXQUYYWLEI-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)c1ccc(CC)s1 ZINC001316894613 933491897 /nfs/dbraw/zinc/49/18/97/933491897.db2.gz CLUNFTRPYFQOIJ-UHFFFAOYSA-N 1 1 294.464 3.328 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC23CCC3)C1 ZINC001316986742 933504600 /nfs/dbraw/zinc/50/46/00/933504600.db2.gz GINDDJFPFWWBMU-CVEARBPZSA-N 1 1 290.451 3.114 20 30 CGEDMO C#CCCCCC(=O)N[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001316976176 933506392 /nfs/dbraw/zinc/50/63/92/933506392.db2.gz PMBKHJNVCZZVPC-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001316986481 933506497 /nfs/dbraw/zinc/50/64/97/933506497.db2.gz PVPGWKVPJFISGV-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)C(C)=C2CCCC2)C1 ZINC001317032666 933516646 /nfs/dbraw/zinc/51/66/46/933516646.db2.gz GZMCDIIVCHAESK-MRXNPFEDSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]2C[N@@H+](C(C)C)CC[C@H]21 ZINC001317104880 933530720 /nfs/dbraw/zinc/53/07/20/933530720.db2.gz KVHLWYZXEVUBDR-JKSUJKDBSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](CC)CC(C)C)C1 ZINC001317145286 933543017 /nfs/dbraw/zinc/54/30/17/933543017.db2.gz YVXAISQPHWMXOC-DLBZAZTESA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)C1CCCC1 ZINC001317177123 933548504 /nfs/dbraw/zinc/54/85/04/933548504.db2.gz RTNYRQTWVJTAKR-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2(F)CCCCC2)C1 ZINC001317206793 933555270 /nfs/dbraw/zinc/55/52/70/933555270.db2.gz SYXOOFCHAQYCKI-CABCVRRESA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)C2(CCF)CC2)C1 ZINC001317375712 933578291 /nfs/dbraw/zinc/57/82/91/933578291.db2.gz BJYAHZQKTWZICU-HNNXBMFYSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC1(C(=O)NCC[N@H+](C)[C@H](C)CC)CCCCC1 ZINC001464797457 937695548 /nfs/dbraw/zinc/69/55/48/937695548.db2.gz VMUDCWPHPZWZPJ-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H]1CCCNC(=O)c1ccco1 ZINC001317417268 933592166 /nfs/dbraw/zinc/59/21/66/933592166.db2.gz WXYQXUWOFUVYDT-OAHLLOKOSA-N 1 1 290.407 3.220 20 30 CGEDMO C=C(C)CCC(=O)NCC[N@H+](C)CCC1=CCCCC1 ZINC001317446645 933592740 /nfs/dbraw/zinc/59/27/40/933592740.db2.gz JDBGHFLWFQCIFA-UHFFFAOYSA-N 1 1 278.440 3.281 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)c1ccccc1 ZINC001317467434 933599978 /nfs/dbraw/zinc/59/99/78/933599978.db2.gz RYHHRLKCTOOIBE-HOTGVXAUSA-N 1 1 288.435 3.193 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)[C@@H]1CCCC1(C)C ZINC001317486007 933602823 /nfs/dbraw/zinc/60/28/23/933602823.db2.gz ZNIHVGSFFHMBMT-HNNXBMFYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC1(C)C ZINC001317494682 933605373 /nfs/dbraw/zinc/60/53/73/933605373.db2.gz DQDWQDOARGPXOJ-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)C1CCCC1 ZINC001317508487 933607187 /nfs/dbraw/zinc/60/71/87/933607187.db2.gz LCKSHCROJLEHEW-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)CCCCC ZINC001317515053 933609073 /nfs/dbraw/zinc/60/90/73/933609073.db2.gz FBLVNJPQWOUOLS-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC[N@H+](CCNC(=O)c1ccccc1C1(C)CC1)C1CC1 ZINC001317557182 933619560 /nfs/dbraw/zinc/61/95/60/933619560.db2.gz SSTABLKGTYNIET-UHFFFAOYSA-N 1 1 298.430 3.118 20 30 CGEDMO CC#CC[N@@H+](CCNC(=O)[C@H](C)CCC(C)(C)C)C1CC1 ZINC001317558455 933620719 /nfs/dbraw/zinc/62/07/19/933620719.db2.gz IUQODAHIJBBYED-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CCNC(=O)C1CC2(CC2)C1)C1CC1 ZINC001317556302 933620784 /nfs/dbraw/zinc/62/07/84/933620784.db2.gz BXYHWSCCOIQQOL-CQSZACIVSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)CCC2CC2)C1 ZINC001317753175 933642757 /nfs/dbraw/zinc/64/27/57/933642757.db2.gz IEYRYJYLUNZKKC-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001317772137 933647394 /nfs/dbraw/zinc/64/73/94/933647394.db2.gz LTLCLTIOCUOLKN-GVDBMIGSSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)CCC2CCC2)C1 ZINC001317784367 933649099 /nfs/dbraw/zinc/64/90/99/933649099.db2.gz UAQJKAVDDMGDMV-QGZVFWFLSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)C(CC)CC)C1 ZINC001317827728 933656422 /nfs/dbraw/zinc/65/64/22/933656422.db2.gz YKSHANURPUXABY-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H](C[N@@H+](C)CCC(=C)C)C1 ZINC001317840355 933656650 /nfs/dbraw/zinc/65/66/50/933656650.db2.gz QSJBFRZCJVGCFM-MRXNPFEDSA-N 1 1 278.440 3.089 20 30 CGEDMO C=Cc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)CC(=C)C)C2)cc1 ZINC001317855902 933658551 /nfs/dbraw/zinc/65/85/51/933658551.db2.gz ZNNUNJZGRWBJCB-KRWDZBQOSA-N 1 1 298.430 3.300 20 30 CGEDMO C=CC[N@H+](C)CC1CCN(C(=O)CC2=CCCCC2)CC1 ZINC001317869361 933661609 /nfs/dbraw/zinc/66/16/09/933661609.db2.gz SJRKVZZXSDJWDJ-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)C/C=C(\C)C=C)C1 ZINC001317979240 933672073 /nfs/dbraw/zinc/67/20/73/933672073.db2.gz BGRYWGNLRQSRAL-JBAYFQIUSA-N 1 1 290.451 3.444 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@@H+](C/C=C\c2ccccc2)C1 ZINC001318273683 933704230 /nfs/dbraw/zinc/70/42/30/933704230.db2.gz VGXORAFFVWPLNL-YFWYWMRJSA-N 1 1 298.430 3.247 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)C2CCCCC2)C1 ZINC001318310214 933708372 /nfs/dbraw/zinc/70/83/72/933708372.db2.gz JBEBAGFVBMSCME-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](N(CC)C(=O)c2ccco2)C1 ZINC001318453241 933729732 /nfs/dbraw/zinc/72/97/32/933729732.db2.gz KFVCOLWGKWUSMP-CABCVRRESA-N 1 1 290.407 3.171 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)/C=C/C(C)(C)C)C1 ZINC001318456429 933730311 /nfs/dbraw/zinc/73/03/11/933730311.db2.gz BJXYSEVNGYWPJR-SLZMIMFISA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)/C=C(/C)CC)C1 ZINC001318470548 933732397 /nfs/dbraw/zinc/73/23/97/933732397.db2.gz MSDVUSMXLWATHH-KGAUPUERSA-N 1 1 278.440 3.232 20 30 CGEDMO CS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(F)cc2C#N)C1 ZINC001318783765 933779025 /nfs/dbraw/zinc/77/90/25/933779025.db2.gz GMTNDHDVBRNCHL-HUUCEWRRSA-N 1 1 278.396 3.413 20 30 CGEDMO COCC#CC[N@H+]1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC001319582458 933895896 /nfs/dbraw/zinc/89/58/96/933895896.db2.gz GTLLSARCFQEAOE-ROUUACIJSA-N 1 1 269.388 3.038 20 30 CGEDMO C=CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)c1ccccc1 ZINC001468644502 937730067 /nfs/dbraw/zinc/73/00/67/937730067.db2.gz VFRVTBNJGXJQRB-IRXDYDNUSA-N 1 1 284.403 3.223 20 30 CGEDMO C#CC[N@H+](Cc1cccc(OCC=C)c1)CC1CC1 ZINC001319726523 933924012 /nfs/dbraw/zinc/92/40/12/933924012.db2.gz IREKXTSMTYZGGE-UHFFFAOYSA-N 1 1 255.361 3.097 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)[C@@]1(C)CC=C(C)CC1 ZINC001320085421 933995393 /nfs/dbraw/zinc/99/53/93/933995393.db2.gz QQKNTKJZIKGYDX-KRWDZBQOSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)c1ccc(F)s1 ZINC001320090238 933997446 /nfs/dbraw/zinc/99/74/46/933997446.db2.gz KUNADLSHFLAHLM-GFCCVEGCSA-N 1 1 298.427 3.246 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](CCSc2ccccc2)C1 ZINC001320157743 934011099 /nfs/dbraw/zinc/01/10/99/934011099.db2.gz ZKWNUZOZBCRAMX-AWEZNQCLSA-N 1 1 263.406 3.056 20 30 CGEDMO C=CC[N@H+](Cc1ccc(-c2cnn(C)c2)cc1)C1CC1 ZINC001321072806 934146435 /nfs/dbraw/zinc/14/64/35/934146435.db2.gz CVJRACILLQOXTM-UHFFFAOYSA-N 1 1 267.376 3.238 20 30 CGEDMO C=CC[C@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)C(=O)OCC ZINC001321148100 934156712 /nfs/dbraw/zinc/15/67/12/934156712.db2.gz IRYKXEZBWAUWIA-ZNMIVQPWSA-N 1 1 265.397 3.053 20 30 CGEDMO C=CC[C@H]([NH2+]C1CCC(C)(C)CC1)C(=O)OCC ZINC001321966781 934227568 /nfs/dbraw/zinc/22/75/68/934227568.db2.gz KDILDEQLPYDMRJ-ZDUSSCGKSA-N 1 1 253.386 3.053 20 30 CGEDMO C=CCC1(NC(=O)N[C@@H](C)C[N@H+](CC)CCC)CCCC1 ZINC001470406320 937752462 /nfs/dbraw/zinc/75/24/62/937752462.db2.gz MADYPBUAWAAEJC-HNNXBMFYSA-N 1 1 295.471 3.295 20 30 CGEDMO C=CCCCCC[NH2+]C1(C(=O)OCC)CCCC1 ZINC001322189753 934256866 /nfs/dbraw/zinc/25/68/66/934256866.db2.gz PNGBFWVTPZDFCT-UHFFFAOYSA-N 1 1 253.386 3.198 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)c1cc(C)c(F)c(C)c1 ZINC001322298417 934272561 /nfs/dbraw/zinc/27/25/61/934272561.db2.gz LSDXTBWEQUWYSK-AWEZNQCLSA-N 1 1 292.398 3.069 20 30 CGEDMO C=CC[N@H+](C)C[C@@H](C)NC(=O)c1cccc2ccccc21 ZINC001322294726 934272633 /nfs/dbraw/zinc/27/26/33/934272633.db2.gz VUBPHWITCPQVLC-CQSZACIVSA-N 1 1 282.387 3.076 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](C[C@H](OC)c2ccc(Cl)cc2)C1 ZINC001322716263 934331715 /nfs/dbraw/zinc/33/17/15/934331715.db2.gz GUOVLZJJZDWNGI-HOTGVXAUSA-N 1 1 295.810 3.304 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)C(C)=C1CCCC1 ZINC001323211379 934372409 /nfs/dbraw/zinc/37/24/09/934372409.db2.gz LWZHOXQQQYVMPV-YOEHRIQHSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)c1sccc1F ZINC001323232884 934376093 /nfs/dbraw/zinc/37/60/93/934376093.db2.gz SGKULSLBEXWTSY-VXGBXAGGSA-N 1 1 296.411 3.046 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)c1ccoc1Cl ZINC001323232265 934377243 /nfs/dbraw/zinc/37/72/43/934377243.db2.gz PFZLPMLMFUICBE-NEPJUHHUSA-N 1 1 296.798 3.092 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC([C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001323637714 934414426 /nfs/dbraw/zinc/41/44/26/934414426.db2.gz MVLKEVDCJHUKSH-DOTOQJQBSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC001323786862 934425555 /nfs/dbraw/zinc/42/55/55/934425555.db2.gz ZWSQOUSQNOPFNH-HNNXBMFYSA-N 1 1 293.794 3.052 20 30 CGEDMO C=CCCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCC1CC1)C2 ZINC001323800407 934427809 /nfs/dbraw/zinc/42/78/09/934427809.db2.gz MCCHESGAUHYXEM-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCCCCC[NH+]1CC(N(C)C(=O)c2ccccc2)C1 ZINC001323874004 934434596 /nfs/dbraw/zinc/43/45/96/934434596.db2.gz WVDYWMJMKKMEIG-UHFFFAOYSA-N 1 1 286.419 3.189 20 30 CGEDMO CCCCCCC[NH+]1CC(N(C)C(=O)C2(F)CCCC2)C1 ZINC001323945664 934440350 /nfs/dbraw/zinc/44/03/50/934440350.db2.gz MCLDCZPATKYJRP-UHFFFAOYSA-N 1 1 298.446 3.382 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N(C)C1C[NH+](CC/C=C/CC)C1 ZINC001323965107 934443089 /nfs/dbraw/zinc/44/30/89/934443089.db2.gz YHDGSCWHAMMBHS-CMDGGOBGSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC001323965733 934445022 /nfs/dbraw/zinc/44/50/22/934445022.db2.gz PQEAEVNDSZUFSA-VQTKUKTRSA-N 1 1 279.330 3.255 20 30 CGEDMO C[C@H]1C[C@@H]([NH2+]C2CC(C#N)(c3ccccc3)C2)c2nccn21 ZINC001324543982 934521728 /nfs/dbraw/zinc/52/17/28/934521728.db2.gz XBSCUMJWWSCIPW-OBYFKMTLSA-N 1 1 292.386 3.102 20 30 CGEDMO N#Cc1ccc(F)cc1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC001472777313 937783662 /nfs/dbraw/zinc/78/36/62/937783662.db2.gz TWIGWXUPYFZETQ-HNNXBMFYSA-N 1 1 273.355 3.126 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@@H+](C2CC2)C2CCCC2)cc1 ZINC001473158357 937794641 /nfs/dbraw/zinc/79/46/41/937794641.db2.gz KBZZDKQCXVWOBL-UHFFFAOYSA-N 1 1 296.414 3.404 20 30 CGEDMO C#CC[N@H+](CCO[C@@H](CC)c1ccccc1)CC1CC1 ZINC001473287205 937800607 /nfs/dbraw/zinc/80/06/07/937800607.db2.gz KEWBKLZLTOOECA-SFHVURJKSA-N 1 1 271.404 3.500 20 30 CGEDMO N#Cc1ccc(C[N@@H+](C[C@@H]2CC[C@H](C3CC3)O2)C2CC2)cc1 ZINC001473304933 937801558 /nfs/dbraw/zinc/80/15/58/937801558.db2.gz TYHYNDMFDDCIMP-RBUKOAKNSA-N 1 1 296.414 3.480 20 30 CGEDMO C=C(CC)C[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C ZINC001473321817 937801974 /nfs/dbraw/zinc/80/19/74/937801974.db2.gz RROBDINGHFDRGN-KGLIPLIRSA-N 1 1 282.428 3.282 20 30 CGEDMO C=CCN1CC[C@@H]([N@H+](C)Cc2ccccc2C(C)C)C1=O ZINC001473426534 937806470 /nfs/dbraw/zinc/80/64/70/937806470.db2.gz BYGXCBUDYRMALL-QGZVFWFLSA-N 1 1 286.419 3.029 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)[C@@H](C)C2CC2)C1 ZINC001324925868 934872798 /nfs/dbraw/zinc/87/27/98/934872798.db2.gz GAAKVOBBKINZBP-XJKSGUPXSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](C)C2CC2)C1 ZINC001324925868 934872807 /nfs/dbraw/zinc/87/28/07/934872807.db2.gz GAAKVOBBKINZBP-XJKSGUPXSA-N 1 1 298.858 3.003 20 30 CGEDMO C#CCCCC(=O)NC[C@]1(C)CCC[N@H+](CCCCC)C1 ZINC001324925700 934873296 /nfs/dbraw/zinc/87/32/96/934873296.db2.gz DHOHFLRKPUUJJF-SFHVURJKSA-N 1 1 292.467 3.198 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)[C@H](C)C2CC2)C1 ZINC001324925867 934873358 /nfs/dbraw/zinc/87/33/58/934873358.db2.gz GAAKVOBBKINZBP-CZUORRHYSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](C)C2CC2)C1 ZINC001324925867 934873365 /nfs/dbraw/zinc/87/33/65/934873365.db2.gz GAAKVOBBKINZBP-CZUORRHYSA-N 1 1 298.858 3.003 20 30 CGEDMO C[C@@H]([NH2+]CC(=O)c1ccccc1F)c1ccc(C#N)cc1 ZINC001473468552 937808158 /nfs/dbraw/zinc/80/81/58/937808158.db2.gz PQRBCPBZUPIQMA-GFCCVEGCSA-N 1 1 282.318 3.231 20 30 CGEDMO C=CC[C@H](C)[N@@H+](C)CCCN(C)C(=O)OC(C)(C)C ZINC001473553855 937810922 /nfs/dbraw/zinc/81/09/22/937810922.db2.gz RCRCPKXHFUGHIA-ZDUSSCGKSA-N 1 1 270.417 3.140 20 30 CGEDMO C#CC[N@H+](CC1CC1)[C@H](C)C(=O)Nc1ccccc1Cl ZINC001325513525 934916841 /nfs/dbraw/zinc/91/68/41/934916841.db2.gz UNTKEWAFMVARRB-GFCCVEGCSA-N 1 1 290.794 3.012 20 30 CGEDMO C#CC[N@@H+](CC1CC1)[C@H](C)C(=O)Nc1ccccc1Cl ZINC001325513525 934916844 /nfs/dbraw/zinc/91/68/44/934916844.db2.gz UNTKEWAFMVARRB-GFCCVEGCSA-N 1 1 290.794 3.012 20 30 CGEDMO N#Cc1ccnc(C[NH2+]C2(c3ccccc3F)CCC2)c1 ZINC001473584451 937812374 /nfs/dbraw/zinc/81/23/74/937812374.db2.gz OWZDTAWZPKAZCB-UHFFFAOYSA-N 1 1 281.334 3.261 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001473580897 937812378 /nfs/dbraw/zinc/81/23/78/937812378.db2.gz ASNDFQGJUNKSKN-INIZCTEOSA-N 1 1 270.420 3.296 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H](C)[C@@H](C)CC)C[C@H]2C1 ZINC001325765813 934928872 /nfs/dbraw/zinc/92/88/72/934928872.db2.gz ATAMEBZEQNERCY-VVLHAWIVSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC(C)=C(C)C ZINC001325897286 934937851 /nfs/dbraw/zinc/93/78/51/934937851.db2.gz KFYOZBPKTFJIKR-DLBZAZTESA-N 1 1 290.451 3.374 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](C=C)CC ZINC001325897176 934938031 /nfs/dbraw/zinc/93/80/31/934938031.db2.gz IYXMZIYBWZFZCC-IXDOHACOSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2CCCN(C(=O)C=C(C)C)[C@@H]2C1 ZINC001325920297 934939626 /nfs/dbraw/zinc/93/96/26/934939626.db2.gz ZFMNPBDWZUUBAV-YESZJQIVSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CC[N@H+](CCCc1cccc(C)c1)[C@H](C)COC ZINC001473636685 937815337 /nfs/dbraw/zinc/81/53/37/937815337.db2.gz GYAVHJFLOBXQFM-MRXNPFEDSA-N 1 1 261.409 3.451 20 30 CGEDMO C/C=C\C[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC001473688441 937817503 /nfs/dbraw/zinc/81/75/03/937817503.db2.gz YUDMIPXNXSTDJU-MPNWYJEXSA-N 1 1 297.402 3.175 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)C[C@@H](C)C1CCCCC1 ZINC001473705856 937818084 /nfs/dbraw/zinc/81/80/84/937818084.db2.gz GQNDGSGTTITUIY-ZBFHGGJFSA-N 1 1 253.430 3.462 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)C(CC)CC)CC1 ZINC001327130285 935032868 /nfs/dbraw/zinc/03/28/68/935032868.db2.gz KZKFCPPQQWCOQK-RDJZCZTQSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)/C(C)=C/CC ZINC001327506664 935064428 /nfs/dbraw/zinc/06/44/28/935064428.db2.gz HKSSRKZEPBGVHP-PSSQXEACSA-N 1 1 298.430 3.072 20 30 CGEDMO C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)/C(C)=C/CC ZINC001327506664 935064430 /nfs/dbraw/zinc/06/44/30/935064430.db2.gz HKSSRKZEPBGVHP-PSSQXEACSA-N 1 1 298.430 3.072 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCCCC)C2 ZINC001327512595 935065203 /nfs/dbraw/zinc/06/52/03/935065203.db2.gz LZRYGFQTRMGRPU-GOSISDBHSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CC(C)(C)C(=O)NCc1ccc2c(c1)C[N@@H+](C(C)C)C2 ZINC001327696316 935078015 /nfs/dbraw/zinc/07/80/15/935078015.db2.gz QLDLPLHLJHFCAI-UHFFFAOYSA-N 1 1 286.419 3.239 20 30 CGEDMO C#CCCCCC(=O)N[C@H]1CC[N@H+](CCCC)CC1(C)C ZINC001328081146 935115257 /nfs/dbraw/zinc/11/52/57/935115257.db2.gz JUNKZVNDDJOCEB-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](F)C(C)C)C(C)(C)C1 ZINC001328104058 935117542 /nfs/dbraw/zinc/11/75/42/935117542.db2.gz ZGYDQTDAILNVIQ-GJZGRUSLSA-N 1 1 298.446 3.163 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)CCCC#CC)C[C@@H]1C ZINC001328268865 935126990 /nfs/dbraw/zinc/12/69/90/935126990.db2.gz VSQKBYGTTHAYLE-IRXDYDNUSA-N 1 1 290.451 3.115 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]1C[N@H+](C)CCCC(C)C ZINC001328707090 935162441 /nfs/dbraw/zinc/16/24/41/935162441.db2.gz KMFHXAWRJJBUBI-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]([C@@H]2CC[N@@H+](CC=C)C2)C1 ZINC001328810240 935170814 /nfs/dbraw/zinc/17/08/14/935170814.db2.gz WYMKVUQLIPOCBE-IAGOWNOFSA-N 1 1 290.451 3.089 20 30 CGEDMO N#CC1(C[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)CC1 ZINC001328972120 935176519 /nfs/dbraw/zinc/17/65/19/935176519.db2.gz NEWKSMKPHDNGJA-HRCADAONSA-N 1 1 252.361 3.026 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)c1ccc(C=C)cc1 ZINC001329561236 935228433 /nfs/dbraw/zinc/22/84/33/935228433.db2.gz QWFRZZJNHBZWTJ-HNNXBMFYSA-N 1 1 286.419 3.346 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)CC[C@@H](C)CC ZINC001329937752 935256087 /nfs/dbraw/zinc/25/60/87/935256087.db2.gz NVUHFQIZGKFWEK-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@H](NC(=O)CC2(C)CC2)C(C)(C)C1 ZINC001330222575 935277526 /nfs/dbraw/zinc/27/75/26/935277526.db2.gz PCCGFFCCFDDSFN-GJZGRUSLSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@H](NC(=O)CC2(C)CC2)C(C)(C)C1 ZINC001330222574 935278102 /nfs/dbraw/zinc/27/81/02/935278102.db2.gz PCCGFFCCFDDSFN-CABCVRRESA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCC(=O)N[C@]12CCC[C@H]1[N@@H+](CCCCC)CC2 ZINC001332081975 935438639 /nfs/dbraw/zinc/43/86/39/935438639.db2.gz MZZZCBSGKVHMLI-WBVHZDCISA-N 1 1 278.440 3.256 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)C[C@H]1CCC[C@@H]1C)C(C)C ZINC001332707294 935483113 /nfs/dbraw/zinc/48/31/13/935483113.db2.gz LKAVVLUSSPQVMG-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)CCN(C(=O)/C(C)=C/C)C(C)C ZINC001332698093 935483319 /nfs/dbraw/zinc/48/33/19/935483319.db2.gz FMOHWZCGQXTGBZ-LRQZKABGSA-N 1 1 280.456 3.476 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CNC(=O)[C@@H](C)C(C)(C)C)CC1 ZINC001333364051 935529320 /nfs/dbraw/zinc/52/93/20/935529320.db2.gz CRZCQHSGWPAJMZ-OAHLLOKOSA-N 1 1 292.467 3.383 20 30 CGEDMO CO[C@H](C[N@@H+](C)CCc1cccc(C#N)c1)C1CCCC1 ZINC001473734575 937820014 /nfs/dbraw/zinc/82/00/14/937820014.db2.gz IEXDAGLUXMGJDC-GOSISDBHSA-N 1 1 286.419 3.238 20 30 CGEDMO CCC#C[C@@H](C)[NH+]1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC001473832608 937823805 /nfs/dbraw/zinc/82/38/05/937823805.db2.gz LKJDYGMCHMZJAZ-LLVKDONJSA-N 1 1 299.340 3.410 20 30 CGEDMO C#C[C@H]1CCCC[N@@H+]1Cc1ccc2oc(C(=O)OC)cc2c1 ZINC001473868019 937826414 /nfs/dbraw/zinc/82/64/14/937826414.db2.gz DYHJZFXXTVFTGI-HNNXBMFYSA-N 1 1 297.354 3.207 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@H](c2cncn2C(C)(C)C)C1 ZINC001473897266 937828363 /nfs/dbraw/zinc/82/83/63/937828363.db2.gz JBPABKJHQPNKMG-HNNXBMFYSA-N 1 1 291.439 3.020 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2c(Cl)ccnc2Cl)C1 ZINC001474646545 937872783 /nfs/dbraw/zinc/87/27/83/937872783.db2.gz GOCPBFNIPHRNQV-JTQLQIEISA-N 1 1 269.175 3.234 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2c(Cl)ccnc2Cl)C1 ZINC001474646545 937872784 /nfs/dbraw/zinc/87/27/84/937872784.db2.gz GOCPBFNIPHRNQV-JTQLQIEISA-N 1 1 269.175 3.234 20 30 CGEDMO C#CC[N@H+](Cc1cc2c(cccc2O)s1)C1CSC1 ZINC001474675293 937874631 /nfs/dbraw/zinc/87/46/31/937874631.db2.gz WNQDAFUFWIBXDD-UHFFFAOYSA-N 1 1 289.425 3.158 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)C[C@@H](C)SC ZINC001479734127 937924571 /nfs/dbraw/zinc/92/45/71/937924571.db2.gz IMNXJPJRIKJDRQ-CABCVRRESA-N 1 1 298.496 3.017 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1CC(C)C ZINC001479737172 937924956 /nfs/dbraw/zinc/92/49/56/937924956.db2.gz BKTBTVFMRZRKRB-IXDOHACOSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N(C)C1CC[NH+](CC(=C)Cl)CC1 ZINC001479892275 937928438 /nfs/dbraw/zinc/92/84/38/937928438.db2.gz SNVMYONRZKOFLG-INIZCTEOSA-N 1 1 298.858 3.264 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)C=C(C)C)C1 ZINC001480072273 937931628 /nfs/dbraw/zinc/93/16/28/937931628.db2.gz QBVFOPSZBJMOCW-IAGOWNOFSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CCCC ZINC001480092812 937932038 /nfs/dbraw/zinc/93/20/38/937932038.db2.gz FCMRMDBQMHULPJ-ZACQAIPSSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)C2(C)CC=CC2)C1 ZINC001480084227 937932255 /nfs/dbraw/zinc/93/22/55/937932255.db2.gz JRRNQLVDLJALBG-MRXNPFEDSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCCCC)C1 ZINC001480184311 937933864 /nfs/dbraw/zinc/93/38/64/937933864.db2.gz MQAHCVHMZUVMNT-DLBZAZTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccs1 ZINC001480310751 937936191 /nfs/dbraw/zinc/93/61/91/937936191.db2.gz JJHHNSUADHQYTI-CQSZACIVSA-N 1 1 292.448 3.299 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)CC1(C)CC1 ZINC001480320992 937936529 /nfs/dbraw/zinc/93/65/29/937936529.db2.gz GABJRLZHWIIPIQ-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)F)C1 ZINC001480716004 937942432 /nfs/dbraw/zinc/94/24/32/937942432.db2.gz FJYMJPTXRZORMQ-UONOGXRCSA-N 1 1 284.419 3.012 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1ccoc1C ZINC001493073856 937946574 /nfs/dbraw/zinc/94/65/74/937946574.db2.gz LEFLCGDGEWXVKY-UKRRQHHQSA-N 1 1 290.407 3.137 20 30 CGEDMO CC#CC[N@H+](CCC)CCNC(=O)[C@@H]1CCC[C@@H]1CCC ZINC001493300746 937949249 /nfs/dbraw/zinc/94/92/49/937949249.db2.gz RXPHMHMKSGTSFT-DLBZAZTESA-N 1 1 292.467 3.054 20 30 CGEDMO CC#CC[N@@H+](CCC)CCNC(=O)[C@@H](C)[C@@H](C)C(C)(C)C ZINC001493321678 937949617 /nfs/dbraw/zinc/94/96/17/937949617.db2.gz IYVRITPLDBFONU-JKSUJKDBSA-N 1 1 294.483 3.156 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H](C)C2CCC2)C1 ZINC001493956698 937952364 /nfs/dbraw/zinc/95/23/64/937952364.db2.gz NVVHEOOLBAFLOA-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H](CCNC(=O)c2ccccc2)C1 ZINC001493983656 937952787 /nfs/dbraw/zinc/95/27/87/937952787.db2.gz LVGGYLDSBOGSHK-MRXNPFEDSA-N 1 1 286.419 3.095 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCN(C(=O)C(CC)(CC)CC)C1 ZINC001494165627 937953741 /nfs/dbraw/zinc/95/37/41/937953741.db2.gz GCCKEZLPDMOFNJ-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)C2CCC=CCC2)C1 ZINC001494179889 937953752 /nfs/dbraw/zinc/95/37/52/937953752.db2.gz GKUCAFWYFMWOKP-INIZCTEOSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@@]2(C)C(C)C)CC1 ZINC001494209088 937954120 /nfs/dbraw/zinc/95/41/20/937954120.db2.gz DSJQMUHNUUYVCV-WMZOPIPTSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C/C=C(\C)C=C)C1 ZINC001494323649 937954332 /nfs/dbraw/zinc/95/43/32/937954332.db2.gz TYMJQAONRCMBKK-KMPOOHAWSA-N 1 1 276.424 3.056 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC1C[NH+](CCC2=CCCCC2)C1 ZINC001494442922 937954751 /nfs/dbraw/zinc/95/47/51/937954751.db2.gz YNAQRPGQIXJDKT-GOSISDBHSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](CC)C(C)(C)C ZINC001494675838 937955615 /nfs/dbraw/zinc/95/56/15/937955615.db2.gz QEJIIZNBNDTYJT-PMPSAXMXSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCCCC(=O)N(C)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001494842740 937956611 /nfs/dbraw/zinc/95/66/11/937956611.db2.gz UJPLGLRIZAOINM-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](N(CC)C(=O)CCC2CC2)C1 ZINC001494890146 937957046 /nfs/dbraw/zinc/95/70/46/937957046.db2.gz NWZBKZKHTGBZLX-RDJZCZTQSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2CC)CC1 ZINC001496508045 937962803 /nfs/dbraw/zinc/96/28/03/937962803.db2.gz DRMBSCGHRKCKNA-IAGOWNOFSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)CCc1cccs1 ZINC001496832635 937964411 /nfs/dbraw/zinc/96/44/11/937964411.db2.gz PGNMWNMMVXAPTO-UHFFFAOYSA-N 1 1 294.464 3.037 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3(CCC)CC3)CC[C@@H]21 ZINC001496861526 937964441 /nfs/dbraw/zinc/96/44/41/937964441.db2.gz HCTOOILEAXKRJS-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCC(=C)C)C1 ZINC001496856201 937964498 /nfs/dbraw/zinc/96/44/98/937964498.db2.gz BCSBILKWCIOQHI-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC2(CC2)C1 ZINC001498284769 937968880 /nfs/dbraw/zinc/96/88/80/937968880.db2.gz YDULUAZAUDXEFC-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC(C)(C)C1 ZINC001498376281 937969377 /nfs/dbraw/zinc/96/93/77/937969377.db2.gz IWWLNXXNTYRGCE-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)c1cccc(C)c1C ZINC001498440617 937969823 /nfs/dbraw/zinc/96/98/23/937969823.db2.gz MVYHYEPNJDTRPC-HNNXBMFYSA-N 1 1 288.435 3.320 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@]2(CC[N@H+](CC(=C)C)C2)C1 ZINC001499610849 937973917 /nfs/dbraw/zinc/97/39/17/937973917.db2.gz SHVAZLOZDOWARZ-SFHVURJKSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCCCC(=O)N1CC[C@]2(C1)CCC[N@H+](CCCC)C2 ZINC001499573425 937974064 /nfs/dbraw/zinc/97/40/64/937974064.db2.gz DQJPUESNTADAPS-GOSISDBHSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCC1(C(=O)N(C)C2C[NH+](CCCC)C2)CCCCC1 ZINC001499795230 937974841 /nfs/dbraw/zinc/97/48/41/937974841.db2.gz KSSHEGXGTSFNJN-UHFFFAOYSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)C(CC)CC)CC1 ZINC001499967133 937975427 /nfs/dbraw/zinc/97/54/27/937975427.db2.gz HAUBQMBGMODUBR-UHFFFAOYSA-N 1 1 286.847 3.146 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC)C2 ZINC001500155533 937976184 /nfs/dbraw/zinc/97/61/84/937976184.db2.gz ZSAZXRKTHDXJCJ-QGZVFWFLSA-N 1 1 278.440 3.067 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)C[C@H]2C=CCC2)C1 ZINC001500475865 937977429 /nfs/dbraw/zinc/97/74/29/937977429.db2.gz XDHFEVSEOCTTQX-FUHWJXTLSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)CCC(C)C)C1 ZINC001500471857 937977433 /nfs/dbraw/zinc/97/74/33/937977433.db2.gz GKQRRDPMWJDQRE-QGZVFWFLSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](F)CC)C2 ZINC001501168709 937978945 /nfs/dbraw/zinc/97/89/45/937978945.db2.gz HWZLATXZCQIXTL-FZKCQIBNSA-N 1 1 296.430 3.060 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)CCC ZINC001501382272 937979210 /nfs/dbraw/zinc/97/92/10/937979210.db2.gz NIAKLOFCLVGZKY-ARFHVFGLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)CCCCCC)CC1 ZINC001502145744 937981618 /nfs/dbraw/zinc/98/16/18/937981618.db2.gz XKFGOYKVRJHITG-OAHLLOKOSA-N 1 1 266.429 3.114 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)[C@@H](C)c1ccco1 ZINC001502373742 937982174 /nfs/dbraw/zinc/98/21/74/937982174.db2.gz VKBIEBJQMNQEOM-HNNXBMFYSA-N 1 1 292.423 3.130 20 30 CGEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)/C=C\C(C)(C)C)cc2C1 ZINC001502648099 937982753 /nfs/dbraw/zinc/98/27/53/937982753.db2.gz FOWPFNVXKUZRGO-HJWRWDBZSA-N 1 1 298.430 3.407 20 30 CGEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)/C=C\C(C)(C)C)cc2C1 ZINC001502648099 937982754 /nfs/dbraw/zinc/98/27/54/937982754.db2.gz FOWPFNVXKUZRGO-HJWRWDBZSA-N 1 1 298.430 3.407 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)(C)C(=C)C)C[C@@H]1C ZINC001502967928 937983955 /nfs/dbraw/zinc/98/39/55/937983955.db2.gz KPZPKTKWUDPFMV-KBPBESRZSA-N 1 1 298.858 3.310 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C(=C)C)C[C@@H]1C ZINC001502967928 937983956 /nfs/dbraw/zinc/98/39/56/937983956.db2.gz KPZPKTKWUDPFMV-KBPBESRZSA-N 1 1 298.858 3.310 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)c1ccoc1 ZINC001505418749 937985232 /nfs/dbraw/zinc/98/52/32/937985232.db2.gz AXPVKFASOZNDTO-ZBFHGGJFSA-N 1 1 290.407 3.171 20 30 CGEDMO C#CCC[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)C1CCCCC1 ZINC001506016909 937988779 /nfs/dbraw/zinc/98/87/79/937988779.db2.gz JYZLEVVUDYYRRQ-HNNXBMFYSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@@H](C)CC ZINC001506557486 937990611 /nfs/dbraw/zinc/99/06/11/937990611.db2.gz DPTROMQABJJWRM-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@@H](C)CCC ZINC001506560294 937990711 /nfs/dbraw/zinc/99/07/11/937990711.db2.gz HZAHGYRFNONXGO-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)CCC(C)C)C2)C1 ZINC001506859304 937992258 /nfs/dbraw/zinc/99/22/58/937992258.db2.gz OXKPEFIHAYOYGN-UHFFFAOYSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)CCC(C)C)C2)C1 ZINC001506859304 937992259 /nfs/dbraw/zinc/99/22/59/937992259.db2.gz OXKPEFIHAYOYGN-UHFFFAOYSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC([N@@H+](C)CCC(=C)C)CC1 ZINC001506961028 937993249 /nfs/dbraw/zinc/99/32/49/937993249.db2.gz OOEDDTOHCIZJTC-SFHVURJKSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCCC(=O)N1CCC([N@@H+](C)Cc2ccsc2)CC1 ZINC001506956908 937993265 /nfs/dbraw/zinc/99/32/65/937993265.db2.gz ZVIDZVKVXDSLFR-UHFFFAOYSA-N 1 1 292.448 3.137 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)CC(C)=C(C)C)CCC[C@@H]12 ZINC001507346980 937995223 /nfs/dbraw/zinc/99/52/23/937995223.db2.gz GBJWDEJFYMJITG-AEFFLSMTSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)CCC(=O)N[C@]12CCC[C@@H]1[N@@H+](CC[C@@H](C)F)CC2 ZINC001507347647 937995270 /nfs/dbraw/zinc/99/52/70/937995270.db2.gz ZTBQXKKMCFZGRA-VYDXJSESSA-N 1 1 296.430 3.204 20 30 CGEDMO C#CCCCCCCOC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001525404300 938049093 /nfs/dbraw/zinc/04/90/93/938049093.db2.gz ZVHQCTKSWUOAPF-UHFFFAOYSA-N 1 1 297.358 3.008 20 30 CGEDMO C=C[C@H](CC)CC(=O)OCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001525809803 938051553 /nfs/dbraw/zinc/05/15/53/938051553.db2.gz BZYOJVLJBVACOK-FFHGMXDLSA-N 1 1 265.397 3.005 20 30 CGEDMO C=C[C@@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001528409702 938067267 /nfs/dbraw/zinc/06/72/67/938067267.db2.gz PZRNIVWELOGCAY-UJJTZGENSA-N 1 1 298.430 3.040 20 30 CGEDMO N#Cc1ccc(F)cc1NCC[NH+]1Cc2ccccc2C1 ZINC001559087947 938220133 /nfs/dbraw/zinc/22/01/33/938220133.db2.gz HRQDSNWKZISGPK-UHFFFAOYSA-N 1 1 281.334 3.125 20 30 CGEDMO CC(C)[N@H+](Cc1ccco1)C[C@@H](O)c1cccc(C#N)c1 ZINC001559506394 938227987 /nfs/dbraw/zinc/22/79/87/938227987.db2.gz ZREOKCGMDRKHCB-QGZVFWFLSA-N 1 1 284.359 3.095 20 30 CGEDMO C=CC[C@H](C(=O)OC)[N@H+]1C[C@@H](c2ccccc2C)C[C@H]1C ZINC001559554936 938229460 /nfs/dbraw/zinc/22/94/60/938229460.db2.gz OATFDMRBXLIFDJ-HLLBOEOZSA-N 1 1 287.403 3.291 20 30 CGEDMO C#CC[N@@H+](CC#CC)CCCOc1c(C)cccc1C ZINC001559567047 938229950 /nfs/dbraw/zinc/22/99/50/938229950.db2.gz UJBWJWSMWQTZAT-UHFFFAOYSA-N 1 1 269.388 3.031 20 30 CGEDMO CCC#C[C@@H](C)[NH+]1CCN(Cc2ccccc2Cl)CC1 ZINC001559595941 938230749 /nfs/dbraw/zinc/23/07/49/938230749.db2.gz IMFHYLXTTUKNKU-OAHLLOKOSA-N 1 1 290.838 3.260 20 30 CGEDMO C#CCOCC[N@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC001559650066 938231706 /nfs/dbraw/zinc/23/17/06/938231706.db2.gz VTZGQPOYGAWSKX-SFHVURJKSA-N 1 1 271.404 3.124 20 30 CGEDMO CCCCCCCCC[N@H+]1C[C@H](C)O[C@H](COC)C1 ZINC001559762773 938234999 /nfs/dbraw/zinc/23/49/99/938234999.db2.gz UEBSUXFFVUWRSI-HOTGVXAUSA-N 1 1 271.445 3.473 20 30 CGEDMO C[N@@H+](CC#Cc1cccc(Cl)c1)[C@@H](CO)CC(C)(C)C ZINC001559839466 938236919 /nfs/dbraw/zinc/23/69/19/938236919.db2.gz DBOWXUCKTFZXPD-MRXNPFEDSA-N 1 1 293.838 3.420 20 30 CGEDMO CCCCCCCCCC[N@H+]1CCO[C@H]([C@H](C)O)C1 ZINC001559902954 938238499 /nfs/dbraw/zinc/23/84/99/938238499.db2.gz MHQCUBGRYLWOPB-HOTGVXAUSA-N 1 1 271.445 3.209 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](CC=C)C2)cc1 ZINC001559983503 938240980 /nfs/dbraw/zinc/24/09/80/938240980.db2.gz SQSJLFLQKNZTEU-KRWDZBQOSA-N 1 1 296.414 3.285 20 30 CGEDMO C[C@H]1c2sccc2CC[N@@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001560112963 938244266 /nfs/dbraw/zinc/24/42/66/938244266.db2.gz TYASGQPHQUEBFX-BLLLJJGKSA-N 1 1 298.411 3.272 20 30 CGEDMO C[C@@H](CCC#N)[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC001560153369 938245093 /nfs/dbraw/zinc/24/50/93/938245093.db2.gz CCIUJJFZDHKOLR-UHOSZYNNSA-N 1 1 297.446 3.133 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC001560153369 938245094 /nfs/dbraw/zinc/24/50/94/938245094.db2.gz CCIUJJFZDHKOLR-UHOSZYNNSA-N 1 1 297.446 3.133 20 30 CGEDMO CCCCCCCCC[N@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC001560175628 938246149 /nfs/dbraw/zinc/24/61/49/938246149.db2.gz XNRPJDYRUCAWQT-JKSUJKDBSA-N 1 1 269.429 3.227 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cs1)Cc1ccc(C#N)c(F)c1 ZINC001560181483 938246515 /nfs/dbraw/zinc/24/65/15/938246515.db2.gz QUQNBYCXWQCGGO-UHFFFAOYSA-N 1 1 285.347 3.263 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1ccc(C#N)c(F)c1 ZINC001560181483 938246516 /nfs/dbraw/zinc/24/65/16/938246516.db2.gz QUQNBYCXWQCGGO-UHFFFAOYSA-N 1 1 285.347 3.263 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C(=O)OC(C)(C)C)C1CC1 ZINC001560204560 938247025 /nfs/dbraw/zinc/24/70/25/938247025.db2.gz PZONOQVSVVFCGP-AWEZNQCLSA-N 1 1 267.413 3.395 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC001560215769 938247299 /nfs/dbraw/zinc/24/72/99/938247299.db2.gz KTJOIPOQKBXMSH-QZTJIDSGSA-N 1 1 273.420 3.268 20 30 CGEDMO CCOC(=O)[C@@H]1[C@H](C)C[C@@H](C)[N@@H+](CCC(C)(C)C#N)[C@@H]1C ZINC001560222758 938247874 /nfs/dbraw/zinc/24/78/74/938247874.db2.gz JDYGZTYGBCLROB-KBUPBQIOSA-N 1 1 294.439 3.224 20 30 CGEDMO Cc1cc(C2OCCO2)c(C)cc1C[N@@H+](C)[C@@H](C)CC#N ZINC001560657636 938268706 /nfs/dbraw/zinc/26/87/06/938268706.db2.gz UDFNAMUDDKFUIQ-AWEZNQCLSA-N 1 1 288.391 3.083 20 30 CGEDMO Cc1cc(C2OCCO2)c(C)cc1C[N@H+](C)[C@@H](C)CC#N ZINC001560657636 938268707 /nfs/dbraw/zinc/26/87/07/938268707.db2.gz UDFNAMUDDKFUIQ-AWEZNQCLSA-N 1 1 288.391 3.083 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cnn(-c3ccccc3C)c2)C1 ZINC001560901384 938282756 /nfs/dbraw/zinc/28/27/56/938282756.db2.gz RJPDSVXREJQGCH-KRWDZBQOSA-N 1 1 293.414 3.416 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2snc(OC)c2Cl)C1 ZINC001560947889 938285716 /nfs/dbraw/zinc/28/57/16/938285716.db2.gz KCPYJEHQKNPPPW-VIFPVBQESA-N 1 1 272.801 3.203 20 30 CGEDMO C=CC[C@H]1CCCC[C@H]1NC(=O)NCC[N@H+](CC)C(C)C ZINC001563901029 938305786 /nfs/dbraw/zinc/30/57/86/938305786.db2.gz AFVFFRXRIZPLJF-JKSUJKDBSA-N 1 1 295.471 3.151 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC(C)C ZINC001323674224 960437601 /nfs/dbraw/zinc/43/76/01/960437601.db2.gz UVCOPTCPXGZWNH-SJORKVTESA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@]2(CC[N@H+](CCCC)C2)C1 ZINC001569474620 960448998 /nfs/dbraw/zinc/44/89/98/960448998.db2.gz MTTFNYGNFJLKML-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)CC1CCCC1 ZINC001570524077 960461275 /nfs/dbraw/zinc/46/12/75/960461275.db2.gz PYMBFRVNUZSMBR-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@H+](C)CCCNC(=O)C[C@@H](C)CC(C)(C)C ZINC001566494928 960561822 /nfs/dbraw/zinc/56/18/22/960561822.db2.gz ZNKOXZHDASSPFS-OAHLLOKOSA-N 1 1 282.472 3.463 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C2(CCCC)CC2)C1 ZINC001566628823 960567376 /nfs/dbraw/zinc/56/73/76/960567376.db2.gz HXJIGSWBVCCKOV-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001566736596 960576088 /nfs/dbraw/zinc/57/60/88/960576088.db2.gz ROMKIUGUMDDOBU-KRWDZBQOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)C(C)(C)C ZINC001567370823 960594170 /nfs/dbraw/zinc/59/41/70/960594170.db2.gz ZCUIOHRUBXWPKA-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)CCC2CC2)C1 ZINC001567934535 960606879 /nfs/dbraw/zinc/60/68/79/960606879.db2.gz VEVYXMDKAJOGKQ-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC2CC2)C1 ZINC001565503885 960792589 /nfs/dbraw/zinc/79/25/89/960792589.db2.gz DBKRGJPIHHMFKK-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC1CCCCC1 ZINC001565833456 960832607 /nfs/dbraw/zinc/83/26/07/960832607.db2.gz OEOGCZSVEZNONB-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](C)CC(C)C ZINC001565831830 960835579 /nfs/dbraw/zinc/83/55/79/960835579.db2.gz OMZJXWZWPISUNM-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[N@@H+](CC(C)C)[C@@H]1CC ZINC001566013782 960868797 /nfs/dbraw/zinc/86/87/97/960868797.db2.gz JNTQYKGGGAWADN-LSDHHAIUSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccsc2)[C@@H]1C ZINC001566099481 960878524 /nfs/dbraw/zinc/87/85/24/960878524.db2.gz JOLWLFCPIMWWDN-OCCSQVGLSA-N 1 1 292.448 3.039 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[N@H+](CCC)CC(C)(C)C1 ZINC001566130465 960898140 /nfs/dbraw/zinc/89/81/40/960898140.db2.gz XFKICIGISLDLMX-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC(C)(C)C(=O)NCCC[N@H+](C)CCCC(C)(C)C ZINC001566481633 960938160 /nfs/dbraw/zinc/93/81/60/960938160.db2.gz KBZFJHGEBWCOIG-UHFFFAOYSA-N 1 1 282.472 3.463 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)CC(CC)CC)C1 ZINC001566676765 960983877 /nfs/dbraw/zinc/98/38/77/960983877.db2.gz QWZARBHALVTSCV-HOCLYGCPSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)C2(F)CCCC2)C1 ZINC001566739328 960999999 /nfs/dbraw/zinc/99/99/99/960999999.db2.gz WZVIKIPDCHKYJQ-HNNXBMFYSA-N 1 1 296.430 3.015 20 30 CGEDMO C#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@](C)(CC)CCC)C1 ZINC001566745376 961001727 /nfs/dbraw/zinc/00/17/27/961001727.db2.gz LJLIZGAXHAEHLU-SJLPKXTDSA-N 1 1 292.467 3.006 20 30 CGEDMO C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@](C)(CC)CCC)C1 ZINC001566745377 961007336 /nfs/dbraw/zinc/00/73/36/961007336.db2.gz LJLIZGAXHAEHLU-WMZOPIPTSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)c2ccc(C=C)cc2)C1 ZINC001566744446 961009904 /nfs/dbraw/zinc/00/99/04/961009904.db2.gz ZJMPFDVMQOSWMT-KRWDZBQOSA-N 1 1 298.430 3.300 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H]1CCC[N@H+](CCC(=C)C)C1 ZINC001566873576 961037798 /nfs/dbraw/zinc/03/77/98/961037798.db2.gz IODUXQOPHIFIHB-MRXNPFEDSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](CNC(=O)C2CC(C)(C)C2)C1 ZINC001566867913 961041264 /nfs/dbraw/zinc/04/12/64/961041264.db2.gz DBYOQVKPEFROTN-OAHLLOKOSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@](C)(F)CCCC ZINC001566922646 961055849 /nfs/dbraw/zinc/05/58/49/961055849.db2.gz BDWHQJSLLLZTAQ-RDJZCZTQSA-N 1 1 298.446 3.452 20 30 CGEDMO C#CCCCCC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H](C)CC ZINC001566919718 961059152 /nfs/dbraw/zinc/05/91/52/961059152.db2.gz FQCWOCPEHNWBHF-SJORKVTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@H]1CCCC[N@@H+]1C[C@H](F)CC ZINC001566927712 961063939 /nfs/dbraw/zinc/06/39/39/961063939.db2.gz VCDVNBPUFGISPM-HUUCEWRRSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)C(C)C ZINC001566927128 961065904 /nfs/dbraw/zinc/06/59/04/961065904.db2.gz KUNCLMQCXCVVBK-HZPDHXFCSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)CC/C=C\CC)C1 ZINC001567196548 961137970 /nfs/dbraw/zinc/13/79/70/961137970.db2.gz MXOQEHGIIZGKNK-HLRDLLSLSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)C1(CF)CCC1 ZINC001567260373 961152664 /nfs/dbraw/zinc/15/26/64/961152664.db2.gz NQRAQAYEQSOXRE-HNNXBMFYSA-N 1 1 296.430 3.063 20 30 CGEDMO C=C(C)CCC(=O)NCC[N@H+](C)[C@@H](C)c1ccccc1 ZINC001567284670 961268614 /nfs/dbraw/zinc/26/86/14/961268614.db2.gz RBGOYXZZTOTMFE-HNNXBMFYSA-N 1 1 274.408 3.152 20 30 CGEDMO C=CC[N@@H+](CC)CCNC(=O)C[C@@H](C)CC(C)(C)C ZINC001567345011 961288291 /nfs/dbraw/zinc/28/82/91/961288291.db2.gz DSAFHQWCANDIKJ-CQSZACIVSA-N 1 1 268.445 3.073 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)c1coc2ccccc21 ZINC001567357144 961293719 /nfs/dbraw/zinc/29/37/19/961293719.db2.gz QGTSUCIJGRNZND-UHFFFAOYSA-N 1 1 286.375 3.061 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)c1cc(C)cc(Cl)c1 ZINC001567339775 961298331 /nfs/dbraw/zinc/29/83/31/961298331.db2.gz QTWYRWXLOGISPK-UHFFFAOYSA-N 1 1 294.826 3.276 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001567378944 961303671 /nfs/dbraw/zinc/30/36/71/961303671.db2.gz LJQUJYKSMHPOBZ-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCC[N@@H+]1C[C@@H](C)CC(C)C ZINC001567365638 961304349 /nfs/dbraw/zinc/30/43/49/961304349.db2.gz AXFFHLGGEWNDIN-HOTGVXAUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)CC(CC)CC ZINC001567383611 961314504 /nfs/dbraw/zinc/31/45/04/961314504.db2.gz SMPHENHIYJPKPL-INIZCTEOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)C2(CC)CCCCC2)C1 ZINC001567420052 961326290 /nfs/dbraw/zinc/32/62/90/961326290.db2.gz ZWSLFAAUTKWDRM-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC001567395974 961326543 /nfs/dbraw/zinc/32/65/43/961326543.db2.gz UJQJETCYSHFZMC-QAPCUYQASA-N 1 1 298.430 3.078 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CC[N@H+](C[C@H](C)CC)C2)CCC1 ZINC001567411493 961330341 /nfs/dbraw/zinc/33/03/41/961330341.db2.gz JQHLKCXVRMUPGT-CVEARBPZSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@@H+](CCC)CCNC(=O)c1cccc(Cl)c1 ZINC001567431983 961339363 /nfs/dbraw/zinc/33/93/63/961339363.db2.gz YNVWFDZYLMARRM-UHFFFAOYSA-N 1 1 294.826 3.358 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)c1sccc1Cl)C1CC1 ZINC001567442196 961340151 /nfs/dbraw/zinc/34/01/51/961340151.db2.gz GQWMJKCKHKVXDG-UHFFFAOYSA-N 1 1 298.839 3.172 20 30 CGEDMO CC#CC[N@@H+](CCCNC(=O)C(C)(C)CC(C)C)C(C)C ZINC001567651349 961386948 /nfs/dbraw/zinc/38/69/48/961386948.db2.gz LALDOHGXEJETPP-UHFFFAOYSA-N 1 1 294.483 3.299 20 30 CGEDMO C=C(C)C[N@H+](C)CC1CCN(C(=O)C[C@H](C)C2CC2)CC1 ZINC001567752679 961429982 /nfs/dbraw/zinc/42/99/82/961429982.db2.gz HONJCNPYAZMYKL-HNNXBMFYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(C)cc2)C1 ZINC001567771750 961430135 /nfs/dbraw/zinc/43/01/35/961430135.db2.gz IBSSPVCPEFMYMZ-KRWDZBQOSA-N 1 1 286.419 3.042 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)CC(C)(C)C2CC2)C1 ZINC001567911313 961449958 /nfs/dbraw/zinc/44/99/58/961449958.db2.gz NLQQHQZCHZWLSW-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)CC2(C)CCCC2)C1 ZINC001567910263 961454310 /nfs/dbraw/zinc/45/43/10/961454310.db2.gz GJMZUDQXONWMES-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)co2)C1 ZINC001567878356 961457688 /nfs/dbraw/zinc/45/76/88/961457688.db2.gz ARZBWLBKRWDVTE-HNNXBMFYSA-N 1 1 290.407 3.139 20 30 CGEDMO C=CCCCC(=O)N(C)[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001567921153 961466121 /nfs/dbraw/zinc/46/61/21/961466121.db2.gz RWSMXUHMVQXDRF-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H](CCC)C(C)C)C1 ZINC001567942636 961471793 /nfs/dbraw/zinc/47/17/93/961471793.db2.gz RBLJGNACSVTLBZ-IRXDYDNUSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CC[N@H+](C)CCC1CCN(C(=O)[C@H](C)CCC)CC1 ZINC001568437019 961576022 /nfs/dbraw/zinc/57/60/22/961576022.db2.gz YTKRMCNKRRKJID-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N(C)CC[N@H+](C)CCCCC ZINC001568491875 961592648 /nfs/dbraw/zinc/59/26/48/961592648.db2.gz WLXJSDZPRMFEGS-UHFFFAOYSA-N 1 1 268.445 3.169 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001569129972 961699127 /nfs/dbraw/zinc/69/91/27/961699127.db2.gz KCILUTOGXSEUSS-LUKYLMHMSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001569129975 961699264 /nfs/dbraw/zinc/69/92/64/961699264.db2.gz KCILUTOGXSEUSS-WCXIOVBPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc2ccccc2c1 ZINC001569149263 961705828 /nfs/dbraw/zinc/70/58/28/961705828.db2.gz ZDOFIHUWXIDHIP-OAHLLOKOSA-N 1 1 296.414 3.466 20 30 CGEDMO C=CC[N@H+](C)C[C@@H](C)NC(=O)Cc1ccc2ccccc2c1 ZINC001569149863 961712429 /nfs/dbraw/zinc/71/24/29/961712429.db2.gz MTYSWPWOFCLFMV-OAHLLOKOSA-N 1 1 296.414 3.005 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)oc1C ZINC001569346083 961737054 /nfs/dbraw/zinc/73/70/54/961737054.db2.gz AXIOKEOTGGSMMV-SWLSCSKDSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)C1(CC)CCC1 ZINC001569370054 961750238 /nfs/dbraw/zinc/75/02/38/961750238.db2.gz LTGLSTWITZFDHG-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H]1CNC(=O)[C@]1(C)C=CCC1 ZINC001569369529 961755003 /nfs/dbraw/zinc/75/50/03/961755003.db2.gz HRNHEXICCOZBBJ-FUHWJXTLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CCC(=O)N1CCCC[C@H]1[C@H]1CC[N@@H+](CCF)C1 ZINC001569437265 961768123 /nfs/dbraw/zinc/76/81/23/961768123.db2.gz RTTZLMIXIFYDLH-HOTGVXAUSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC(CC=C)C(=O)NC[C@@]1(C)CCC[N@H+](C(C)C)C1 ZINC001569716199 961826232 /nfs/dbraw/zinc/82/62/32/961826232.db2.gz VKGFANLLKMAVKE-GOSISDBHSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)CCCCC)C1 ZINC001569709481 961828145 /nfs/dbraw/zinc/82/81/45/961828145.db2.gz FQNJGDXLEOVBIK-KRWDZBQOSA-N 1 1 280.456 3.361 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)C[C@@H](C)CCC)C1 ZINC001569711365 961831532 /nfs/dbraw/zinc/83/15/32/961831532.db2.gz BETCKDGFZPWBIP-WMZOPIPTSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001569716530 961831833 /nfs/dbraw/zinc/83/18/33/961831833.db2.gz SVJGBQGAECJIMM-RKVPGOIHSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H](C)CC)C2 ZINC001569858528 961857849 /nfs/dbraw/zinc/85/78/49/961857849.db2.gz RWGUDAMTGOSCQT-NXOAAHMSSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N(C)CCC[N@H+](C)C[C@@H](C)CC ZINC001570204669 961923487 /nfs/dbraw/zinc/92/34/87/961923487.db2.gz ZLPVYOADGXMQGF-HNNXBMFYSA-N 1 1 282.472 3.415 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCN(C)C(=O)c1c[nH]cc1C ZINC001570217014 961934389 /nfs/dbraw/zinc/93/43/89/961934389.db2.gz UXEPDRJTODKOEU-OAHLLOKOSA-N 1 1 291.439 3.072 20 30 CGEDMO C=C(C)C[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)/C(C)=C/C ZINC001570268595 961940164 /nfs/dbraw/zinc/94/01/64/961940164.db2.gz FPWCNHDMSIRNKA-IQXODGKNSA-N 1 1 298.430 3.072 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@H+](C(C)C)CC1(C)C ZINC001570395447 961960136 /nfs/dbraw/zinc/96/01/36/961960136.db2.gz JJNLTGVLPITDAN-CQSZACIVSA-N 1 1 280.456 3.214 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](CCCF)CC1(C)C ZINC001570394997 961963999 /nfs/dbraw/zinc/96/39/99/961963999.db2.gz AWGKBCCLYISWBD-CQSZACIVSA-N 1 1 298.446 3.165 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)CCC)C[C@@H]1C ZINC001570440266 961968847 /nfs/dbraw/zinc/96/88/47/961968847.db2.gz JTZWOOSVIHVIOA-GJZGRUSLSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1C[N@@H+](C)CC=C(C)C ZINC001570540698 961985565 /nfs/dbraw/zinc/98/55/65/961985565.db2.gz RPKBXONPGJFYKK-SJLPKXTDSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)CC(C)C ZINC001570543136 961986279 /nfs/dbraw/zinc/98/62/79/961986279.db2.gz CTPHCDFZJCTISR-OAHLLOKOSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)CCC1CCCC1 ZINC001570523016 961989107 /nfs/dbraw/zinc/98/91/07/961989107.db2.gz BRCKWLYGJHQDSO-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO CCCCCCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](C)C#N ZINC001570525657 961989302 /nfs/dbraw/zinc/98/93/02/961989302.db2.gz GUNCTNGSFNUNPB-HZPDHXFCSA-N 1 1 293.455 3.039 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@H](C)CC ZINC001570528489 961992296 /nfs/dbraw/zinc/99/22/96/961992296.db2.gz UJIBFIOZUXTZGT-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)c1cccc(F)c1Cl ZINC001570738604 962076559 /nfs/dbraw/zinc/07/65/59/962076559.db2.gz ZJWGVXJKCADWSZ-LLVKDONJSA-N 1 1 298.789 3.105 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C(=O)c1ccoc1)C(C)C ZINC001571610530 962190647 /nfs/dbraw/zinc/19/06/47/962190647.db2.gz TZWKHJSSKAQZKD-UHFFFAOYSA-N 1 1 278.396 3.028 20 30 CGEDMO C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC001584398886 962916698 /nfs/dbraw/zinc/91/66/98/962916698.db2.gz SUYGZOZOIXHVRN-RBSFLKMASA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCOc1ccc(CN[C@@H](C)C[N@H+](C)C(C)C)cc1 ZINC000312517492 260137521 /nfs/dbraw/zinc/13/75/21/260137521.db2.gz LHFUQPPCYLFEMP-HNNXBMFYSA-N 1 1 276.424 3.070 20 30 CGEDMO C=CCOc1ccc(CN[C@@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000312517492 260137522 /nfs/dbraw/zinc/13/75/22/260137522.db2.gz LHFUQPPCYLFEMP-HNNXBMFYSA-N 1 1 276.424 3.070 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cncc(OCC)c1 ZINC000621721488 349565593 /nfs/dbraw/zinc/56/55/93/349565593.db2.gz QNNVBOHQCIWXEY-UHFFFAOYSA-N 1 1 286.375 3.304 20 30 CGEDMO COc1ccc(F)c(C[NH2+]Cc2ccc(C#N)cc2F)c1 ZINC000590185496 346835707 /nfs/dbraw/zinc/83/57/07/346835707.db2.gz HCSXYVFQKSJCOO-UHFFFAOYSA-N 1 1 288.297 3.135 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3ccccn3)C2)cc1 ZINC000590599315 346853758 /nfs/dbraw/zinc/85/37/58/346853758.db2.gz GIHIQXRYAJGXEH-KRWDZBQOSA-N 1 1 277.371 3.333 20 30 CGEDMO COC[C@@]1(C)CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000590747027 346871667 /nfs/dbraw/zinc/87/16/67/346871667.db2.gz YARCOWVMWTXGAD-SFHVURJKSA-N 1 1 286.419 3.346 20 30 CGEDMO C=CCCC(C)(C)NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000622184843 349642948 /nfs/dbraw/zinc/64/29/48/349642948.db2.gz NCCMANMZINNHRK-AWEZNQCLSA-N 1 1 266.429 3.112 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000591014874 346894592 /nfs/dbraw/zinc/89/45/92/346894592.db2.gz QLTLFMIRLROXLT-UKRRQHHQSA-N 1 1 260.406 3.469 20 30 CGEDMO C[C@H](CCC#N)[NH+]1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000591015575 346894668 /nfs/dbraw/zinc/89/46/68/346894668.db2.gz GSNSMIVMORASHR-IWSPIJDZSA-N 1 1 288.235 3.351 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000591045374 346897465 /nfs/dbraw/zinc/89/74/65/346897465.db2.gz VCZYSTPGJFIBCS-OALUTQOASA-N 1 1 292.382 3.175 20 30 CGEDMO C[C@@H]([NH2+][C@@H](C)c1cc2n(n1)CCC2)c1cccc(C#N)c1 ZINC000591239667 346910646 /nfs/dbraw/zinc/91/06/46/346910646.db2.gz BYRDBDJOCUCMBG-OLZOCXBDSA-N 1 1 280.375 3.113 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccncc2C#N)[C@H]2CCCC[C@@H]12 ZINC000592059336 346958519 /nfs/dbraw/zinc/95/85/19/346958519.db2.gz IPOJWMKDXXOOEV-COXVUDFISA-N 1 1 269.392 3.354 20 30 CGEDMO Cc1ccc([C@H](C)[NH2+]Cc2ccncc2C#N)cc1 ZINC000592092308 346962181 /nfs/dbraw/zinc/96/21/81/346962181.db2.gz HHKIDQUPJJJLQG-ZDUSSCGKSA-N 1 1 251.333 3.113 20 30 CGEDMO COc1ccccc1C1([NH2+]Cc2ccc(F)c(C#N)c2)CC1 ZINC000592143086 346966686 /nfs/dbraw/zinc/96/66/86/346966686.db2.gz NASYJWXDIORVHD-UHFFFAOYSA-N 1 1 296.345 3.485 20 30 CGEDMO CC(C)c1ccc([C@@H](C)[N@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592151319 346967655 /nfs/dbraw/zinc/96/76/55/346967655.db2.gz LNVKWHYBJNVZIM-RHSMWYFYSA-N 1 1 272.392 3.221 20 30 CGEDMO CC[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccncc1C#N ZINC000592106157 346963760 /nfs/dbraw/zinc/96/37/60/346963760.db2.gz QMPLWFUKJGICEO-SFHVURJKSA-N 1 1 277.371 3.290 20 30 CGEDMO CC[C@H]1Cc2ccccc2C[N@H+]1Cc1ccncc1C#N ZINC000592106157 346963763 /nfs/dbraw/zinc/96/37/63/346963763.db2.gz QMPLWFUKJGICEO-SFHVURJKSA-N 1 1 277.371 3.290 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cc2n(n1)CCCC2 ZINC000592389727 346981717 /nfs/dbraw/zinc/98/17/17/346981717.db2.gz AWFZIUNPTUIESQ-GFCCVEGCSA-N 1 1 298.365 3.081 20 30 CGEDMO C[C@@H]1CC2(C[N@H+]1CC(C)(C)CCC#N)CCOCC2 ZINC000592529444 346997872 /nfs/dbraw/zinc/99/78/72/346997872.db2.gz ZOYLVLZOMJFYSP-CQSZACIVSA-N 1 1 264.413 3.207 20 30 CGEDMO CC[C@@H](OCC[N@H+](C)[C@@H](C)CC#N)c1ccccc1 ZINC000593015095 347027970 /nfs/dbraw/zinc/02/79/70/347027970.db2.gz MQADVUOYVIPXEH-GOEBONIOSA-N 1 1 260.381 3.388 20 30 CGEDMO CC[C@@H](OCC[N@@H+](C)[C@@H](C)CC#N)c1ccccc1 ZINC000593015095 347027973 /nfs/dbraw/zinc/02/79/73/347027973.db2.gz MQADVUOYVIPXEH-GOEBONIOSA-N 1 1 260.381 3.388 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000593029210 347029316 /nfs/dbraw/zinc/02/93/16/347029316.db2.gz QQBGIEASDLDQCN-AWEZNQCLSA-N 1 1 285.347 3.088 20 30 CGEDMO C[C@H]1C[N@@H+](CCOCCC#N)CCc2ccc(Cl)cc21 ZINC000593067490 347035067 /nfs/dbraw/zinc/03/50/67/347035067.db2.gz UBDGPKAXGSNYNZ-ZDUSSCGKSA-N 1 1 292.810 3.232 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CC(=O)OC(C)(C)C ZINC000593093314 347038162 /nfs/dbraw/zinc/03/81/62/347038162.db2.gz UAOGNAMTARBKRG-CYBMUJFWSA-N 1 1 253.386 3.149 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c(Cl)c1 ZINC000593116278 347041498 /nfs/dbraw/zinc/04/14/98/347041498.db2.gz HBEZVXCYNBLGLI-ZDUSSCGKSA-N 1 1 282.721 3.443 20 30 CGEDMO Oc1ccccc1/C=N/[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000005291562 344860978 /nfs/dbraw/zinc/86/09/78/344860978.db2.gz ZKSWOPXEHZPXIM-DAQNXSASSA-N 1 1 280.371 3.086 20 30 CGEDMO C[C@H]([N@@H+](C)CCC(=O)Nc1sccc1C#N)C(C)(C)C ZINC000027134457 344909100 /nfs/dbraw/zinc/90/91/00/344909100.db2.gz CUWZUPKLFNOTHU-NSHDSACASA-N 1 1 293.436 3.315 20 30 CGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)CC1CCCCC1 ZINC000043999924 345005546 /nfs/dbraw/zinc/00/55/46/345005546.db2.gz KWVFZKJVUGNRTQ-AWEZNQCLSA-N 1 1 299.418 3.397 20 30 CGEDMO C=CC[NH+](CC=C)CC(=O)N[C@H](c1ccccc1)C(C)C ZINC000045914434 345031959 /nfs/dbraw/zinc/03/19/59/345031959.db2.gz BIHBDJKQNNAWLA-SFHVURJKSA-N 1 1 286.419 3.174 20 30 CGEDMO C[N@@H+](CCOc1cccc(F)c1)Cc1ccc(C#N)cc1 ZINC000048056774 345059495 /nfs/dbraw/zinc/05/94/95/345059495.db2.gz VHQWKPJJBWDWIX-UHFFFAOYSA-N 1 1 284.334 3.208 20 30 CGEDMO CC[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000048058108 345059608 /nfs/dbraw/zinc/05/96/08/345059608.db2.gz VKJMFFHNJBGSIS-MRXNPFEDSA-N 1 1 299.418 3.055 20 30 CGEDMO C[C@H]1CC[C@@H]([N@@H+](CCO)Cc2ccc(C#N)cc2Cl)C1 ZINC000351630304 219153855 /nfs/dbraw/zinc/15/38/55/219153855.db2.gz QXEQXPKVVYVFFU-SWLSCSKDSA-N 1 1 292.810 3.195 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)N(Cc1ccccc1)C1CC1 ZINC000051559983 345091336 /nfs/dbraw/zinc/09/13/36/345091336.db2.gz ZDYAJFOBDDBTAN-UHFFFAOYSA-N 1 1 286.419 3.076 20 30 CGEDMO N#CCCC[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000053134584 345115012 /nfs/dbraw/zinc/11/50/12/345115012.db2.gz NWZMASDQDYZGFZ-ZDUSSCGKSA-N 1 1 264.394 3.033 20 30 CGEDMO CC[N@@H+](Cc1cc(F)cc2cccnc21)C[C@@H](C)C#N ZINC000060569254 345220417 /nfs/dbraw/zinc/22/04/17/345220417.db2.gz QYKGVYWUTRNQHE-LBPRGKRZSA-N 1 1 271.339 3.355 20 30 CGEDMO CC[N@H+](Cc1cc(F)cc2cccnc21)C[C@@H](C)C#N ZINC000060569254 345220419 /nfs/dbraw/zinc/22/04/19/345220419.db2.gz QYKGVYWUTRNQHE-LBPRGKRZSA-N 1 1 271.339 3.355 20 30 CGEDMO C#CC[N@H+](Cc1cccc(C(=O)N(C)C)c1)C1CCCCC1 ZINC000065959914 345281557 /nfs/dbraw/zinc/28/15/57/345281557.db2.gz GKWAMYLLWCDSDD-UHFFFAOYSA-N 1 1 298.430 3.156 20 30 CGEDMO C=CC[N@@H+](CCn1nc(C)cc1C)Cc1ccccc1F ZINC000068812423 345363969 /nfs/dbraw/zinc/36/39/69/345363969.db2.gz XSLFZNKCSLIEQW-UHFFFAOYSA-N 1 1 287.382 3.327 20 30 CGEDMO C=CC[N@H+](CCn1nc(C)cc1C)Cc1ccccc1F ZINC000068812423 345363974 /nfs/dbraw/zinc/36/39/74/345363974.db2.gz XSLFZNKCSLIEQW-UHFFFAOYSA-N 1 1 287.382 3.327 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCc1ccccn1 ZINC000076154388 345536442 /nfs/dbraw/zinc/53/64/42/345536442.db2.gz RJIYYXKOSDETAP-MOPGFXCFSA-N 1 1 291.398 3.396 20 30 CGEDMO C=CC[N@H+](CCCOC)Cc1ccc(Cl)s1 ZINC000076457330 345543215 /nfs/dbraw/zinc/54/32/15/345543215.db2.gz KOYJNEJXJOOIBS-UHFFFAOYSA-N 1 1 259.802 3.426 20 30 CGEDMO N#Cc1ccccc1N1CCC[N@H+](CCC(F)(F)F)CC1 ZINC000077265608 345565731 /nfs/dbraw/zinc/56/57/31/345565731.db2.gz VRNPJYSEZWKMIV-UHFFFAOYSA-N 1 1 297.324 3.023 20 30 CGEDMO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1nccs1 ZINC000080266771 345669860 /nfs/dbraw/zinc/66/98/60/345669860.db2.gz UDXWHTPIVYNGKU-GHMZBOCLSA-N 1 1 257.362 3.427 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1cccc(O)c1 ZINC000080924000 345689549 /nfs/dbraw/zinc/68/95/49/345689549.db2.gz WFDUOLUSGUYNGF-CYBMUJFWSA-N 1 1 266.344 3.457 20 30 CGEDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)Nc1snc(Cl)c1C#N ZINC000092622004 345847217 /nfs/dbraw/zinc/84/72/17/345847217.db2.gz TZLGPOAGFCGWLP-VHSXEESVSA-N 1 1 298.843 3.200 20 30 CGEDMO C[N@@H+](Cc1ccnc(C#N)c1)C1CCC(C)(C)CC1 ZINC000094859650 345899417 /nfs/dbraw/zinc/89/94/17/345899417.db2.gz JAPOJBPDXHKFGD-UHFFFAOYSA-N 1 1 257.381 3.354 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2cccc(F)c2F)c(F)c1 ZINC000107713131 345935339 /nfs/dbraw/zinc/93/53/39/345935339.db2.gz PVLIFLCYEDAKJE-UHFFFAOYSA-N 1 1 276.261 3.265 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cc(C(=O)OC)co1 ZINC000150884632 346134644 /nfs/dbraw/zinc/13/46/44/346134644.db2.gz OKAAOQLBOFRBGD-UHFFFAOYSA-N 1 1 265.353 3.244 20 30 CGEDMO C[N@H+](Cc1cccc2c[nH]nc21)Cc1cc(C#N)ccc1F ZINC000155393373 346153240 /nfs/dbraw/zinc/15/32/40/346153240.db2.gz JUZBUQJIDAIHCM-UHFFFAOYSA-N 1 1 294.333 3.206 20 30 CGEDMO C[N@@H+](Cc1cccc2c[nH]nc21)Cc1cc(C#N)ccc1F ZINC000155393373 346153242 /nfs/dbraw/zinc/15/32/42/346153242.db2.gz JUZBUQJIDAIHCM-UHFFFAOYSA-N 1 1 294.333 3.206 20 30 CGEDMO COc1ccc2c(c1)C1(CC1)C[N@@H+]([C@H]1CC[C@H](C#N)C1)C2 ZINC000293542527 346431606 /nfs/dbraw/zinc/43/16/06/346431606.db2.gz KJUWFSRHWROQKC-ZFWWWQNUSA-N 1 1 282.387 3.235 20 30 CGEDMO N#CCCOCC[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000292797776 346429816 /nfs/dbraw/zinc/42/98/16/346429816.db2.gz MAZWVJVPIPJLCV-HNNXBMFYSA-N 1 1 290.432 3.031 20 30 CGEDMO C[C@H]1C[N@@H+](CCCOc2cccc(C#N)c2)C(C)(C)C1 ZINC000380379252 346556271 /nfs/dbraw/zinc/55/62/71/346556271.db2.gz IQURNQFORUCBND-CQSZACIVSA-N 1 1 272.392 3.448 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000397867647 346585300 /nfs/dbraw/zinc/58/53/00/346585300.db2.gz WQMVERMKGMXOSX-LSDHHAIUSA-N 1 1 262.397 3.104 20 30 CGEDMO CC[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)[C@H](CC)CO1 ZINC000403960788 346598367 /nfs/dbraw/zinc/59/83/67/346598367.db2.gz NJZHBCLJDORFOP-IAGOWNOFSA-N 1 1 272.392 3.142 20 30 CGEDMO CC1(C)CCCN(c2cc[nH+]c(N[C@@H]3CC[C@H](C#N)C3)n2)C1 ZINC000594592981 347197966 /nfs/dbraw/zinc/19/79/66/347197966.db2.gz KHAKGYMTCNBTSF-UONOGXRCSA-N 1 1 299.422 3.207 20 30 CGEDMO CC(C)(C#N)c1ccc(CNCC[NH+]2CCCCCC2)cc1 ZINC000594495255 347178417 /nfs/dbraw/zinc/17/84/17/347178417.db2.gz PGOIBIZDDBWCIM-UHFFFAOYSA-N 1 1 299.462 3.453 20 30 CGEDMO CC[NH+](CC)[C@H](C)CNCc1ccc(C(C)(C)C#N)cc1 ZINC000594496012 347178691 /nfs/dbraw/zinc/17/86/91/347178691.db2.gz XESNSOYWHNUGOX-OAHLLOKOSA-N 1 1 287.451 3.308 20 30 CGEDMO N#Cc1ccc(C2(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CCC2)cc1 ZINC000594517216 347186442 /nfs/dbraw/zinc/18/64/42/347186442.db2.gz IHJLMYJJLISFPQ-QZTJIDSGSA-N 1 1 295.430 3.154 20 30 CGEDMO N#Cc1ccc(C2(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)cc1 ZINC000594517216 347186443 /nfs/dbraw/zinc/18/64/43/347186443.db2.gz IHJLMYJJLISFPQ-QZTJIDSGSA-N 1 1 295.430 3.154 20 30 CGEDMO N#Cc1ccc(C2([NH2+][C@@H]3CCCn4ccnc43)CCC2)cc1 ZINC000594517623 347187211 /nfs/dbraw/zinc/18/72/11/347187211.db2.gz KZWJBYJMAWOKQG-MRXNPFEDSA-N 1 1 292.386 3.259 20 30 CGEDMO CCCc1ncc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)o1 ZINC000594953567 347239520 /nfs/dbraw/zinc/23/95/20/347239520.db2.gz IDRWZTXWQHMGIU-UHFFFAOYSA-N 1 1 295.386 3.472 20 30 CGEDMO CO[C@H](C[N@H+]1CCC[C@@](C)(C#N)C1)C1CCCCC1 ZINC000595426639 347301402 /nfs/dbraw/zinc/30/14/02/347301402.db2.gz PCADIPDWBGGCLN-CVEARBPZSA-N 1 1 264.413 3.207 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](CCc2ccc(C#N)cc2)CCS1 ZINC000595330292 347293310 /nfs/dbraw/zinc/29/33/10/347293310.db2.gz IIFQGQUCIKAUDP-MRXNPFEDSA-N 1 1 274.433 3.174 20 30 CGEDMO CCc1cnc(C[N@H+](C)CCc2ccc(C#N)cc2)s1 ZINC000595335787 347293846 /nfs/dbraw/zinc/29/38/46/347293846.db2.gz XMAFNVUVYVNGOS-UHFFFAOYSA-N 1 1 285.416 3.252 20 30 CGEDMO CCc1cnc(C[N@@H+](C)CCc2ccc(C#N)cc2)s1 ZINC000595335787 347293850 /nfs/dbraw/zinc/29/38/50/347293850.db2.gz XMAFNVUVYVNGOS-UHFFFAOYSA-N 1 1 285.416 3.252 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCC[C@@H]2c2cccnc2)cc1 ZINC000595398986 347298765 /nfs/dbraw/zinc/29/87/65/347298765.db2.gz UDGWZBRTTBMZDL-GOSISDBHSA-N 1 1 277.371 3.333 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCc3cccc(F)c3C2)cc1 ZINC000595408106 347299480 /nfs/dbraw/zinc/29/94/80/347299480.db2.gz MNWVFFXOUIVIAN-UHFFFAOYSA-N 1 1 280.346 3.298 20 30 CGEDMO C[C@H](N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(C#N)cc1F ZINC000595056875 347272357 /nfs/dbraw/zinc/27/23/57/347272357.db2.gz SAHTXWHVFXQUPA-JSGCOSHPSA-N 1 1 289.398 3.221 20 30 CGEDMO Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595611179 347326354 /nfs/dbraw/zinc/32/63/54/347326354.db2.gz HVTVKDAUAVOFLJ-HOTGVXAUSA-N 1 1 299.418 3.256 20 30 CGEDMO Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595611179 347326355 /nfs/dbraw/zinc/32/63/55/347326355.db2.gz HVTVKDAUAVOFLJ-HOTGVXAUSA-N 1 1 299.418 3.256 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000595623436 347329457 /nfs/dbraw/zinc/32/94/57/347329457.db2.gz PILVCLRJUXXOCZ-XIRDDKMYSA-N 1 1 254.377 3.416 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000595623643 347329849 /nfs/dbraw/zinc/32/98/49/347329849.db2.gz WCLQWEYBWNVCOZ-NSHDSACASA-N 1 1 283.297 3.226 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000595623643 347329851 /nfs/dbraw/zinc/32/98/51/347329851.db2.gz WCLQWEYBWNVCOZ-NSHDSACASA-N 1 1 283.297 3.226 20 30 CGEDMO CC1(C)CC[N@@H+](CCOCCC#N)CC(C)(C)C1 ZINC000595748398 347349579 /nfs/dbraw/zinc/34/95/79/347349579.db2.gz GHGUDTXDFQWAEL-UHFFFAOYSA-N 1 1 252.402 3.065 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@@H](CCF)C2)ccc1C#N ZINC000595755504 347350157 /nfs/dbraw/zinc/35/01/57/347350157.db2.gz NBBPKJAHTFFXKG-AWEZNQCLSA-N 1 1 260.356 3.438 20 30 CGEDMO COc1cccc([C@]2(C)CC[N@H+]([C@@H](C)CCC#N)C2)c1 ZINC000595764440 347352446 /nfs/dbraw/zinc/35/24/46/347352446.db2.gz ISZDFSKUWVWKFB-WMLDXEAASA-N 1 1 272.392 3.351 20 30 CGEDMO C[N@H+]1CC[C@H](N[C@@H](C#N)c2ccccc2)[C@H]1c1ccccc1 ZINC000595477429 347309600 /nfs/dbraw/zinc/30/96/00/347309600.db2.gz SQRTWGNUBSLUSE-GBESFXJTSA-N 1 1 291.398 3.286 20 30 CGEDMO C[C@H]1COC2(CCCC2)C[N@H+]1Cc1cccc(C#N)c1 ZINC000595808212 347357534 /nfs/dbraw/zinc/35/75/34/347357534.db2.gz MTPVTAFVMYUVQD-AWEZNQCLSA-N 1 1 270.376 3.092 20 30 CGEDMO CN(c1ccccc1)[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000595826284 347362109 /nfs/dbraw/zinc/36/21/09/347362109.db2.gz LWSUEULUKWLOCU-HNNXBMFYSA-N 1 1 297.427 3.330 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](CCSc2ccc(F)cc2)C1 ZINC000595833398 347363345 /nfs/dbraw/zinc/36/33/45/347363345.db2.gz HFQHQFUBJNASRN-AWEZNQCLSA-N 1 1 264.369 3.153 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](CCSc2ccc(F)cc2)C1 ZINC000595833398 347363349 /nfs/dbraw/zinc/36/33/49/347363349.db2.gz HFQHQFUBJNASRN-AWEZNQCLSA-N 1 1 264.369 3.153 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC000595844212 347366063 /nfs/dbraw/zinc/36/60/63/347366063.db2.gz CEHXLUQNTLEHQM-GASCZTMLSA-N 1 1 256.324 3.380 20 30 CGEDMO CC[C@H](OCC[N@@H+]1CC[C@@](C)(C#N)C1)c1ccccc1 ZINC000595842972 347366246 /nfs/dbraw/zinc/36/62/46/347366246.db2.gz XBIIAVAQUGZFLO-IRXDYDNUSA-N 1 1 272.392 3.390 20 30 CGEDMO CC[C@H](OCC[N@H+]1CC[C@@](C)(C#N)C1)c1ccccc1 ZINC000595842972 347366249 /nfs/dbraw/zinc/36/62/49/347366249.db2.gz XBIIAVAQUGZFLO-IRXDYDNUSA-N 1 1 272.392 3.390 20 30 CGEDMO CCCOc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000595843534 347366526 /nfs/dbraw/zinc/36/65/26/347366526.db2.gz LAHXSSBKOOJFLN-MRXNPFEDSA-N 1 1 258.365 3.211 20 30 CGEDMO CCCOc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000595843534 347366529 /nfs/dbraw/zinc/36/65/29/347366529.db2.gz LAHXSSBKOOJFLN-MRXNPFEDSA-N 1 1 258.365 3.211 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000595845025 347367388 /nfs/dbraw/zinc/36/73/88/347367388.db2.gz KLTBZOKSUJJUHJ-XYPHTWIQSA-N 1 1 295.386 3.068 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](C[C@@H]2CCc3ccccc3C2)C1 ZINC000595844566 347367453 /nfs/dbraw/zinc/36/74/53/347367453.db2.gz VBQCKJYEYYPNSF-RHSMWYFYSA-N 1 1 254.377 3.027 20 30 CGEDMO N#Cc1cccc(NC(=O)C[N@@H+](CCC2CC2)CC2CC2)c1 ZINC000595871382 347368737 /nfs/dbraw/zinc/36/87/37/347368737.db2.gz MBPDWRQNAFVBNX-UHFFFAOYSA-N 1 1 297.402 3.009 20 30 CGEDMO C[N@@H+](CCCSCC#N)C[C@@H]1CCc2ccccc21 ZINC000595881481 347369957 /nfs/dbraw/zinc/36/99/57/347369957.db2.gz SHYUDCWQEDEFEZ-HNNXBMFYSA-N 1 1 274.433 3.295 20 30 CGEDMO CC(C)(C)[C@H](CN)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000595890089 347370646 /nfs/dbraw/zinc/37/06/46/347370646.db2.gz BIESHQFSVQYEDC-ZDUSSCGKSA-N 1 1 299.340 3.040 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000595913160 347372691 /nfs/dbraw/zinc/37/26/91/347372691.db2.gz CGPFWBIGUARMEZ-XHBSWPGZSA-N 1 1 294.345 3.364 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000595913160 347372692 /nfs/dbraw/zinc/37/26/92/347372692.db2.gz CGPFWBIGUARMEZ-XHBSWPGZSA-N 1 1 294.345 3.364 20 30 CGEDMO N#Cc1cnccc1C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000595915395 347372810 /nfs/dbraw/zinc/37/28/10/347372810.db2.gz JETLCJCXPCMNKK-BBRMVZONSA-N 1 1 255.365 3.108 20 30 CGEDMO Cc1ccc(C#N)nc1N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000596478071 347464393 /nfs/dbraw/zinc/46/43/93/347464393.db2.gz FJYOATTUROKBCE-OAHLLOKOSA-N 1 1 284.407 3.081 20 30 CGEDMO COc1c(C)cc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1C ZINC000597175049 347544355 /nfs/dbraw/zinc/54/43/55/347544355.db2.gz VABROIVJGOREBC-HNNXBMFYSA-N 1 1 272.392 3.438 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597175851 347544628 /nfs/dbraw/zinc/54/46/28/347544628.db2.gz FIZGIQOKRXXHPZ-OAHLLOKOSA-N 1 1 279.387 3.367 20 30 CGEDMO Cn1ncc(C2CCC2)c1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000596979242 347523846 /nfs/dbraw/zinc/52/38/46/347523846.db2.gz JBMLNCBXAJBYTE-UHFFFAOYSA-N 1 1 294.402 3.191 20 30 CGEDMO Cn1ncc(C2CCC2)c1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000596979242 347523849 /nfs/dbraw/zinc/52/38/49/347523849.db2.gz JBMLNCBXAJBYTE-UHFFFAOYSA-N 1 1 294.402 3.191 20 30 CGEDMO CC[N@@H+](Cc1ccc(O[C@H](C)COC)cc1)C[C@H](C)C#N ZINC000596991364 347524873 /nfs/dbraw/zinc/52/48/73/347524873.db2.gz LPJPOJVSUROWOG-HUUCEWRRSA-N 1 1 290.407 3.082 20 30 CGEDMO CC[N@H+](Cc1ccc(O[C@H](C)COC)cc1)C[C@H](C)C#N ZINC000596991364 347524876 /nfs/dbraw/zinc/52/48/76/347524876.db2.gz LPJPOJVSUROWOG-HUUCEWRRSA-N 1 1 290.407 3.082 20 30 CGEDMO CC[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@H](C)O1 ZINC000596999597 347526249 /nfs/dbraw/zinc/52/62/49/347526249.db2.gz DNQKTOPDSGAAOJ-WMLDXEAASA-N 1 1 284.403 3.241 20 30 CGEDMO CCC[C@@H]1C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000597007280 347526821 /nfs/dbraw/zinc/52/68/21/347526821.db2.gz BXMONTKIWBQSGF-QGZVFWFLSA-N 1 1 284.403 3.243 20 30 CGEDMO CCC[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000597007280 347526822 /nfs/dbraw/zinc/52/68/22/347526822.db2.gz BXMONTKIWBQSGF-QGZVFWFLSA-N 1 1 284.403 3.243 20 30 CGEDMO C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)C[C@@H]1CCCC[C@@H]1O ZINC000597073774 347533174 /nfs/dbraw/zinc/53/31/74/347533174.db2.gz AMSXYVGGQQMINI-WMZOPIPTSA-N 1 1 298.430 3.225 20 30 CGEDMO Cc1ncsc1-c1ccc(C[NH2+]C[C@H](C)C#N)cc1 ZINC000597082431 347533724 /nfs/dbraw/zinc/53/37/24/347533724.db2.gz JSQMKXTVZCZBHI-LLVKDONJSA-N 1 1 271.389 3.368 20 30 CGEDMO CC[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CCCO1 ZINC000597122948 347537434 /nfs/dbraw/zinc/53/74/34/347537434.db2.gz BNTDWQVCWXXPFZ-QGZVFWFLSA-N 1 1 284.403 3.243 20 30 CGEDMO N#CC[C@]1(O)CC[N@@H+](Cc2cccc(C3CCCC3)c2)C1 ZINC000597156218 347541569 /nfs/dbraw/zinc/54/15/69/347541569.db2.gz LNQFEKJIBXRBDT-SFHVURJKSA-N 1 1 284.403 3.195 20 30 CGEDMO CCOc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)c(C)c1 ZINC000597230102 347559016 /nfs/dbraw/zinc/55/90/16/347559016.db2.gz FPQLFRSKQDXUHV-INIZCTEOSA-N 1 1 258.365 3.129 20 30 CGEDMO CCOc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)c(C)c1 ZINC000597230102 347559021 /nfs/dbraw/zinc/55/90/21/347559021.db2.gz FPQLFRSKQDXUHV-INIZCTEOSA-N 1 1 258.365 3.129 20 30 CGEDMO N#C[C@@H]1CC[C@H]([NH2+][C@@H](C(F)F)C2CCCCC2)C1 ZINC000598649846 347675671 /nfs/dbraw/zinc/67/56/71/347675671.db2.gz JQGJDYAGKAXVDV-KGYLQXTDSA-N 1 1 256.340 3.482 20 30 CGEDMO CC[N@@H+](Cc1nccnc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000598678640 347677967 /nfs/dbraw/zinc/67/79/67/347677967.db2.gz JNAOKPNMHAWPIM-CQSZACIVSA-N 1 1 280.375 3.240 20 30 CGEDMO N#Cc1ccc(C[NH+]2CC(Cc3ccsc3)C2)s1 ZINC000598678184 347678173 /nfs/dbraw/zinc/67/81/73/347678173.db2.gz OAYYSBLMQHBJFV-UHFFFAOYSA-N 1 1 274.414 3.356 20 30 CGEDMO C[N@@H+](Cc1c(F)cccc1Cl)C[C@H](O)CC(C)(C)C#N ZINC000598584109 347666063 /nfs/dbraw/zinc/66/60/63/347666063.db2.gz JGBSTNCBYKEZJH-LLVKDONJSA-N 1 1 298.789 3.212 20 30 CGEDMO C[N@H+](Cc1c(F)cccc1Cl)C[C@H](O)CC(C)(C)C#N ZINC000598584109 347666064 /nfs/dbraw/zinc/66/60/64/347666064.db2.gz JGBSTNCBYKEZJH-LLVKDONJSA-N 1 1 298.789 3.212 20 30 CGEDMO CC(C)C[N@@H+](C[C@H](O)CC(C)(C)C#N)CC(C)(C)C ZINC000598592146 347667543 /nfs/dbraw/zinc/66/75/43/347667543.db2.gz GGYGQNLKMWJWKL-CQSZACIVSA-N 1 1 268.445 3.291 20 30 CGEDMO C[C@@H](C[N@@H+](C)C[C@@H](O)CC(C)(C)C#N)c1ccccc1 ZINC000598588541 347667654 /nfs/dbraw/zinc/66/76/54/347667654.db2.gz BTDWUPSPQFFPBY-HOCLYGCPSA-N 1 1 274.408 3.023 20 30 CGEDMO C[C@H]1c2c(F)cccc2CC[N@@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598593561 347668448 /nfs/dbraw/zinc/66/84/48/347668448.db2.gz UYNMLBFHMBDQRW-GXTWGEPZSA-N 1 1 290.382 3.046 20 30 CGEDMO Cc1ccc([C@H]2CCCC[N@H+]2C[C@H](O)CC(C)(C)C#N)o1 ZINC000598593516 347668668 /nfs/dbraw/zinc/66/86/68/347668668.db2.gz UHEIHSXTMKGUCS-HUUCEWRRSA-N 1 1 290.407 3.416 20 30 CGEDMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598597975 347669386 /nfs/dbraw/zinc/66/93/86/347669386.db2.gz LBDSHIYANUEAET-SOUVJXGZSA-N 1 1 266.429 3.188 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000598618365 347671353 /nfs/dbraw/zinc/67/13/53/347671353.db2.gz WTENBPWGWUSXRK-OCCSQVGLSA-N 1 1 292.448 3.432 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000598620200 347672487 /nfs/dbraw/zinc/67/24/87/347672487.db2.gz JOXIQMFOMONZEJ-DZGCQCFKSA-N 1 1 288.391 3.107 20 30 CGEDMO CC(C)SCC[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677346 347764315 /nfs/dbraw/zinc/76/43/15/347764315.db2.gz FOJQEIQMXYRPCX-UHFFFAOYSA-N 1 1 274.433 3.252 20 30 CGEDMO CCC(O)(CC)C[N@@H+](C)CCCCC(C)(C)C#N ZINC000599673893 347764395 /nfs/dbraw/zinc/76/43/95/347764395.db2.gz VKGRYFUFPFOGFP-UHFFFAOYSA-N 1 1 254.418 3.189 20 30 CGEDMO C/C=C/C[C@H]1CCC[N@@H+](CCCSCC#N)C1 ZINC000599692441 347766898 /nfs/dbraw/zinc/76/68/98/347766898.db2.gz WVJMPGMFNNMTOZ-HSWBROFVSA-N 1 1 252.427 3.311 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCOC3(CCCCC3)C2)cc1C#N ZINC000599299564 347733526 /nfs/dbraw/zinc/73/35/26/347733526.db2.gz HRQJUVQAXVTKRB-UHFFFAOYSA-N 1 1 284.403 3.402 20 30 CGEDMO Cc1ccc(C[N@H+]2CCOC3(CCCCC3)C2)cc1C#N ZINC000599299564 347733527 /nfs/dbraw/zinc/73/35/27/347733527.db2.gz HRQJUVQAXVTKRB-UHFFFAOYSA-N 1 1 284.403 3.402 20 30 CGEDMO Cc1ccc(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1C#N ZINC000599303354 347733668 /nfs/dbraw/zinc/73/36/68/347733668.db2.gz BKAIBVRUFXQJGQ-SFHVURJKSA-N 1 1 297.446 3.030 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)cc1C#N ZINC000599340134 347737116 /nfs/dbraw/zinc/73/71/16/347737116.db2.gz LGFVHNKHBHKFAS-IRXDYDNUSA-N 1 1 284.403 3.115 20 30 CGEDMO N#CCCCC[N@@H+](Cc1ccccc1)C1(CO)CCCC1 ZINC000599434358 347744874 /nfs/dbraw/zinc/74/48/74/347744874.db2.gz ZLFZMFPMQITYKM-UHFFFAOYSA-N 1 1 286.419 3.488 20 30 CGEDMO CCO[C@H]1CC[N@@H+](Cc2ccc(C)c(C#N)c2)C[C@@H]1C ZINC000599434223 347744916 /nfs/dbraw/zinc/74/49/16/347744916.db2.gz VDZQIVSQLBQSPH-YOEHRIQHSA-N 1 1 272.392 3.114 20 30 CGEDMO CCO[C@@H](C[N@@H+](C)[C@H](C)c1cccc(C#N)c1)C1CC1 ZINC000599440364 347745579 /nfs/dbraw/zinc/74/55/79/347745579.db2.gz QLUVMNDFUJMGTH-DYVFJYSZSA-N 1 1 272.392 3.366 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CCCC(=O)OC(C)(C)C)C1 ZINC000599529811 347751298 /nfs/dbraw/zinc/75/12/98/347751298.db2.gz QNDYMBHBIYAAIE-ZDUSSCGKSA-N 1 1 253.386 3.006 20 30 CGEDMO COC1(C[N@H+]2CCc3c(CC#N)cccc3C2)CCCCC1 ZINC000600212222 347794374 /nfs/dbraw/zinc/79/43/74/347794374.db2.gz ADMDLYIWEAZVHD-UHFFFAOYSA-N 1 1 298.430 3.460 20 30 CGEDMO N#Cc1ccc(C[NH+]2CC(Cc3cccs3)C2)c(F)c1 ZINC000600216135 347794969 /nfs/dbraw/zinc/79/49/69/347794969.db2.gz VBROVWHUSRBPFE-UHFFFAOYSA-N 1 1 286.375 3.433 20 30 CGEDMO C=CCOc1c(Cl)cc(C[NH2+]C[C@H](C)C#N)cc1OC ZINC000600144163 347784054 /nfs/dbraw/zinc/78/40/54/347784054.db2.gz IRVAKSLBNOESOQ-LLVKDONJSA-N 1 1 294.782 3.163 20 30 CGEDMO CCOc1ccc(C#N)cc1N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000600140158 347784293 /nfs/dbraw/zinc/78/42/93/347784293.db2.gz VGPAGATWVRVADI-CQSZACIVSA-N 1 1 287.407 3.242 20 30 CGEDMO N#CCC1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601140101 347874350 /nfs/dbraw/zinc/87/43/50/347874350.db2.gz SIVYWMQMIPVOFI-UHFFFAOYSA-N 1 1 296.330 3.273 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CC[C@]1(C)C1CCCCC1 ZINC000601961191 347930191 /nfs/dbraw/zinc/93/01/91/347930191.db2.gz BGBLYCZMEHYYFL-DOTOQJQBSA-N 1 1 278.440 3.332 20 30 CGEDMO C[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(C#N)c(F)c1 ZINC000602020490 347933809 /nfs/dbraw/zinc/93/38/09/347933809.db2.gz KKQXMHGARSBKDB-SWLSCSKDSA-N 1 1 289.398 3.126 20 30 CGEDMO CC[N@@H+](C[C@@H](C)CCC#N)C[C@H]1COc2ccccc2O1 ZINC000602433969 347957353 /nfs/dbraw/zinc/95/73/53/347957353.db2.gz NBLWVUNAEOQBRJ-GJZGRUSLSA-N 1 1 288.391 3.088 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)n1 ZINC000602436722 347957420 /nfs/dbraw/zinc/95/74/20/347957420.db2.gz ZQSYJXFIFZMFCF-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)n1 ZINC000602436722 347957421 /nfs/dbraw/zinc/95/74/21/347957421.db2.gz ZQSYJXFIFZMFCF-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]2C2CCCCC2)n1 ZINC000602437923 347958450 /nfs/dbraw/zinc/95/84/50/347958450.db2.gz AJNBMNKQIVRBMV-QGZVFWFLSA-N 1 1 269.392 3.498 20 30 CGEDMO COc1cc(C[N@@H+](C)C[C@@H](C)CCC#N)cc(OC)c1 ZINC000602445383 347959393 /nfs/dbraw/zinc/95/93/93/347959393.db2.gz UKHYTZKIAJCFIB-ZDUSSCGKSA-N 1 1 276.380 3.075 20 30 CGEDMO C[C@H](c1ccco1)[N@H+](Cc1cccc(C#N)n1)C1CC1 ZINC000602456221 347961288 /nfs/dbraw/zinc/96/12/88/347961288.db2.gz VQAFCGHKJDRGPS-GFCCVEGCSA-N 1 1 267.332 3.272 20 30 CGEDMO C[C@H](c1ccco1)[N@@H+](Cc1cccc(C#N)n1)C1CC1 ZINC000602456221 347961292 /nfs/dbraw/zinc/96/12/92/347961292.db2.gz VQAFCGHKJDRGPS-GFCCVEGCSA-N 1 1 267.332 3.272 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000602475622 347964970 /nfs/dbraw/zinc/96/49/70/347964970.db2.gz LOZFTPCZWFHJDW-YJBOKZPZSA-N 1 1 284.403 3.100 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C[C@H]1CCN(c2ccccc2)C1)C1CC1 ZINC000602481183 347965815 /nfs/dbraw/zinc/96/58/15/347965815.db2.gz ALIBOLVURVEYQR-HOTGVXAUSA-N 1 1 283.419 3.137 20 30 CGEDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602478227 347966039 /nfs/dbraw/zinc/96/60/39/347966039.db2.gz WVMFEOCUPVDOGU-SFHVURJKSA-N 1 1 279.387 3.406 20 30 CGEDMO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602482962 347966611 /nfs/dbraw/zinc/96/66/11/347966611.db2.gz HNYJYDOCIOZZJF-QGZVFWFLSA-N 1 1 280.375 3.019 20 30 CGEDMO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602482962 347966613 /nfs/dbraw/zinc/96/66/13/347966613.db2.gz HNYJYDOCIOZZJF-QGZVFWFLSA-N 1 1 280.375 3.019 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCc2ccc(F)c(F)c2C1 ZINC000602484077 347967198 /nfs/dbraw/zinc/96/71/98/347967198.db2.gz HFGQMYLFBRQNBH-LLVKDONJSA-N 1 1 264.319 3.263 20 30 CGEDMO C[C@H](CCC#N)C[NH2+]CC[C@H](C)N(C)Cc1ccccc1 ZINC000602572750 347985953 /nfs/dbraw/zinc/98/59/53/347985953.db2.gz MAQKKCNPEKTGGW-SJORKVTESA-N 1 1 287.451 3.426 20 30 CGEDMO C[C@H](CCC#N)C[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000602590229 347990322 /nfs/dbraw/zinc/99/03/22/347990322.db2.gz YDLXLBIUVYYMNJ-LMMKCTJWSA-N 1 1 299.462 3.426 20 30 CGEDMO CCOC(=O)[C@@H](CCC(C)(C)C)[NH2+]C1CCC(C#N)CC1 ZINC000602606763 347991935 /nfs/dbraw/zinc/99/19/35/347991935.db2.gz GOPSUBPJBPBWQE-YMAMQOFZSA-N 1 1 294.439 3.416 20 30 CGEDMO CCOC(=O)[C@H](CCC(C)(C)C)[NH2+]C1CCC(C#N)CC1 ZINC000602606761 347992164 /nfs/dbraw/zinc/99/21/64/347992164.db2.gz GOPSUBPJBPBWQE-NRXISQOPSA-N 1 1 294.439 3.416 20 30 CGEDMO CCn1ccnc1[C@@H]1CCCC[N@H+]1C[C@@H](C)CCC#N ZINC000602644063 347999616 /nfs/dbraw/zinc/99/96/16/347999616.db2.gz UNWFVRAWHLLPCH-GJZGRUSLSA-N 1 1 274.412 3.370 20 30 CGEDMO C[C@H](C1CCCCC1)[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602653510 348001414 /nfs/dbraw/zinc/00/14/14/348001414.db2.gz MDBJTACTYFLVQN-CYBMUJFWSA-N 1 1 257.381 3.354 20 30 CGEDMO CCC[N@@H+](CCc1ccccn1)C[C@@H](C)CCC#N ZINC000602655216 348001966 /nfs/dbraw/zinc/00/19/66/348001966.db2.gz FSVOAXCQARDUDT-HNNXBMFYSA-N 1 1 259.397 3.276 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000602667347 348004114 /nfs/dbraw/zinc/00/41/14/348004114.db2.gz QHDLAHHGORACIE-AWEZNQCLSA-N 1 1 282.391 3.448 20 30 CGEDMO N#Cc1cccc(C[NH2+]Cc2ccc(C3CC3)cc2F)n1 ZINC000602672923 348005570 /nfs/dbraw/zinc/00/55/70/348005570.db2.gz RTZWHZUZLVQYRE-UHFFFAOYSA-N 1 1 281.334 3.260 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000602670659 348005974 /nfs/dbraw/zinc/00/59/74/348005974.db2.gz BJQLRIAYTFPGIS-ZIAGYGMSSA-N 1 1 258.365 3.209 20 30 CGEDMO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC(F)(F)C(C)(C)C ZINC000602721706 348017099 /nfs/dbraw/zinc/01/70/99/348017099.db2.gz JODPHNOVKGOMPZ-LBPRGKRZSA-N 1 1 288.382 3.356 20 30 CGEDMO COc1c(C)cc(C[N@@H+](C)CC2(CC#N)CC2)cc1C ZINC000602771128 348026679 /nfs/dbraw/zinc/02/66/79/348026679.db2.gz DJYGYNYMIFPLJK-UHFFFAOYSA-N 1 1 272.392 3.438 20 30 CGEDMO N#Cc1cnccc1C[NH+]1CCC2(CCSCC2)CC1 ZINC000602950751 348046844 /nfs/dbraw/zinc/04/68/44/348046844.db2.gz MMKGZNCLEPKPJC-UHFFFAOYSA-N 1 1 287.432 3.062 20 30 CGEDMO C[N@@H+](CCCOc1ccccc1)[C@H]1CCC[C@@H]1C#N ZINC000602975566 348048663 /nfs/dbraw/zinc/04/86/63/348048663.db2.gz CYFLEVWNAUDSSZ-ZBFHGGJFSA-N 1 1 258.365 3.080 20 30 CGEDMO CCOc1ccccc1OCC[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602977773 348049125 /nfs/dbraw/zinc/04/91/25/348049125.db2.gz HCDDFZRUAZBOAZ-CABCVRRESA-N 1 1 288.391 3.088 20 30 CGEDMO CCOc1ccccc1OCC[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602977773 348049129 /nfs/dbraw/zinc/04/91/29/348049129.db2.gz HCDDFZRUAZBOAZ-CABCVRRESA-N 1 1 288.391 3.088 20 30 CGEDMO CCOc1ccccc1OCC[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602977776 348049327 /nfs/dbraw/zinc/04/93/27/348049327.db2.gz HCDDFZRUAZBOAZ-LSDHHAIUSA-N 1 1 288.391 3.088 20 30 CGEDMO CCOc1ccccc1OCC[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602977776 348049329 /nfs/dbraw/zinc/04/93/29/348049329.db2.gz HCDDFZRUAZBOAZ-LSDHHAIUSA-N 1 1 288.391 3.088 20 30 CGEDMO COc1ncc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)c2ccccc21 ZINC000602981741 348051049 /nfs/dbraw/zinc/05/10/49/348051049.db2.gz IZSKJYTXFUAQBI-CXAGYDPISA-N 1 1 295.386 3.367 20 30 CGEDMO COc1ncc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)c2ccccc21 ZINC000602981741 348051051 /nfs/dbraw/zinc/05/10/51/348051051.db2.gz IZSKJYTXFUAQBI-CXAGYDPISA-N 1 1 295.386 3.367 20 30 CGEDMO C[N@H+](Cc1ccc2ncccc2c1)[C@H]1CCC[C@H]1C#N ZINC000602980753 348051098 /nfs/dbraw/zinc/05/10/98/348051098.db2.gz VGDJSDDWVBDPPK-RDJZCZTQSA-N 1 1 265.360 3.359 20 30 CGEDMO C[N@@H+](Cc1ccc2ncccc2c1)[C@H]1CCC[C@H]1C#N ZINC000602980753 348051100 /nfs/dbraw/zinc/05/11/00/348051100.db2.gz VGDJSDDWVBDPPK-RDJZCZTQSA-N 1 1 265.360 3.359 20 30 CGEDMO C[N@H+](CCc1c(F)cccc1F)[C@H]1CCC[C@H]1C#N ZINC000602982297 348052584 /nfs/dbraw/zinc/05/25/84/348052584.db2.gz QJKDILXZSNCAIY-NHYWBVRUSA-N 1 1 264.319 3.131 20 30 CGEDMO C[N@@H+](CCc1c(F)cccc1F)[C@H]1CCC[C@H]1C#N ZINC000602982297 348052587 /nfs/dbraw/zinc/05/25/87/348052587.db2.gz QJKDILXZSNCAIY-NHYWBVRUSA-N 1 1 264.319 3.131 20 30 CGEDMO N#Cc1cnccc1C[N@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000603000204 348053952 /nfs/dbraw/zinc/05/39/52/348053952.db2.gz XPCKGJRNZLJXOX-OAHLLOKOSA-N 1 1 269.392 3.355 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000603000173 348054043 /nfs/dbraw/zinc/05/40/43/348054043.db2.gz WTUFVSZTAYAWKM-HZPDHXFCSA-N 1 1 278.440 3.189 20 30 CGEDMO N#CCCC[NH+]1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000604275945 348112721 /nfs/dbraw/zinc/11/27/21/348112721.db2.gz CQACBRKOKCUALO-IUCAKERBSA-N 1 1 288.235 3.353 20 30 CGEDMO COc1cccc(C[N@@H+](CCCC#N)CC(C)C)c1 ZINC000604494659 348121554 /nfs/dbraw/zinc/12/15/54/348121554.db2.gz TXAWOTGACZQCQD-UHFFFAOYSA-N 1 1 260.381 3.457 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@H]2CSCc3ccccc32)o1 ZINC000610270777 348369741 /nfs/dbraw/zinc/36/97/41/348369741.db2.gz WGFDKRMQMBXEDB-HNNXBMFYSA-N 1 1 270.357 3.229 20 30 CGEDMO CN(C(=O)C[N@@H+](C)CCCC(C)(C)C#N)C1CCCCC1 ZINC000610447600 348383292 /nfs/dbraw/zinc/38/32/92/348383292.db2.gz RZBWAKQYFZLIMF-UHFFFAOYSA-N 1 1 293.455 3.039 20 30 CGEDMO C[C@H]1C[N@H+](Cc2ccnc(C#N)c2)[C@@H]1c1ccccc1 ZINC000610994261 348416086 /nfs/dbraw/zinc/41/60/86/348416086.db2.gz AFBCQRQFLWGMLU-GUYCJALGSA-N 1 1 263.344 3.146 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccnc(C#N)c2)[C@@H]1c1ccccc1 ZINC000610994261 348416089 /nfs/dbraw/zinc/41/60/89/348416089.db2.gz AFBCQRQFLWGMLU-GUYCJALGSA-N 1 1 263.344 3.146 20 30 CGEDMO C[C@@H](C#N)C[N@H+](C[C@@H]1CCOc2ccccc21)C1CC1 ZINC000611276073 348434383 /nfs/dbraw/zinc/43/43/83/348434383.db2.gz HVMLACKDRGPHFX-KBPBESRZSA-N 1 1 270.376 3.177 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C[C@@H]1CCOc2ccccc21)C1CC1 ZINC000611276073 348434385 /nfs/dbraw/zinc/43/43/85/348434385.db2.gz HVMLACKDRGPHFX-KBPBESRZSA-N 1 1 270.376 3.177 20 30 CGEDMO CC[NH+](CC)C[C@@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000611392270 348445282 /nfs/dbraw/zinc/44/52/82/348445282.db2.gz PMHNSSQZUVZRLA-KDOFPFPSSA-N 1 1 285.435 3.256 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CC[C@H](c3ccco3)C2)cc1 ZINC000612075384 348490965 /nfs/dbraw/zinc/49/09/65/348490965.db2.gz OBYCSZKGBKSFKK-INIZCTEOSA-N 1 1 266.344 3.335 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611580438 348462535 /nfs/dbraw/zinc/46/25/35/348462535.db2.gz WHUBQBZYXUWGRR-LLVKDONJSA-N 1 1 260.328 3.020 20 30 CGEDMO Cc1[nH+]c2ccccc2c(NCC(C)(C)C#N)c1C ZINC000612090460 348492927 /nfs/dbraw/zinc/49/29/27/348492927.db2.gz QZVJWVULURDXOG-UHFFFAOYSA-N 1 1 253.349 3.235 20 30 CGEDMO Cc1ccc(C)c(OCC[N@@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000612167347 348499517 /nfs/dbraw/zinc/49/95/17/348499517.db2.gz WZEZYKZTUIMRPC-QGZVFWFLSA-N 1 1 272.392 3.308 20 30 CGEDMO Cc1ccc(C)c(OCC[N@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000612167347 348499520 /nfs/dbraw/zinc/49/95/20/348499520.db2.gz WZEZYKZTUIMRPC-QGZVFWFLSA-N 1 1 272.392 3.308 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000613415802 348599034 /nfs/dbraw/zinc/59/90/34/348599034.db2.gz MLFWHEKMBUNZRB-BBWFWOEESA-N 1 1 292.467 3.312 20 30 CGEDMO C[C@@H](C#N)C[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614166794 348653626 /nfs/dbraw/zinc/65/36/26/348653626.db2.gz PGTYYYJWILPGLT-ZDUSSCGKSA-N 1 1 255.365 3.079 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614166794 348653629 /nfs/dbraw/zinc/65/36/29/348653629.db2.gz PGTYYYJWILPGLT-ZDUSSCGKSA-N 1 1 255.365 3.079 20 30 CGEDMO C[N@@H+](Cc1ccc[nH]1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614169117 348654397 /nfs/dbraw/zinc/65/43/97/348654397.db2.gz VWXOWVMAPIRUIK-UHFFFAOYSA-N 1 1 267.376 3.448 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000614183055 348655811 /nfs/dbraw/zinc/65/58/11/348655811.db2.gz VHNXQWKLRIWBAN-QGZVFWFLSA-N 1 1 286.419 3.345 20 30 CGEDMO CCO[C@@H]1CCC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000614461762 348678117 /nfs/dbraw/zinc/67/81/17/348678117.db2.gz VVPKOPLIVGACTK-XJKSGUPXSA-N 1 1 258.365 3.120 20 30 CGEDMO COc1cc(C)c([C@H](C)[N@H+](C)C[C@@H](C)C#N)cc1C ZINC000614530577 348681881 /nfs/dbraw/zinc/68/18/81/348681881.db2.gz ACZIVDCMQUTCSC-FZMZJTMJSA-N 1 1 260.381 3.465 20 30 CGEDMO COc1cc(C)c([C@H](C)[N@@H+](C)C[C@@H](C)C#N)cc1C ZINC000614530577 348681884 /nfs/dbraw/zinc/68/18/84/348681884.db2.gz ACZIVDCMQUTCSC-FZMZJTMJSA-N 1 1 260.381 3.465 20 30 CGEDMO CC[N@@H+](Cc1ccnc(C#N)c1)[C@H](C)Cc1ccsc1 ZINC000614603452 348686020 /nfs/dbraw/zinc/68/60/20/348686020.db2.gz ZTLDOHGTTSFUEK-CYBMUJFWSA-N 1 1 285.416 3.468 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000614963405 348704032 /nfs/dbraw/zinc/70/40/32/348704032.db2.gz CENGSUCMTPEWHZ-FZMZJTMJSA-N 1 1 280.318 3.323 20 30 CGEDMO CCn1ccc(C[N@H+](C)Cc2ccc(C#N)cc2F)c1 ZINC000616737738 348876938 /nfs/dbraw/zinc/87/69/38/348876938.db2.gz HPDXXLHZLCKGPO-UHFFFAOYSA-N 1 1 271.339 3.151 20 30 CGEDMO CCn1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2F)c1 ZINC000616737738 348876942 /nfs/dbraw/zinc/87/69/42/348876942.db2.gz HPDXXLHZLCKGPO-UHFFFAOYSA-N 1 1 271.339 3.151 20 30 CGEDMO Cc1noc(C)c1C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000358571751 233157049 /nfs/dbraw/zinc/15/70/49/233157049.db2.gz PSOBYLYHIWVUPL-VIFPVBQESA-N 1 1 273.311 3.153 20 30 CGEDMO Cc1cc(C[N@H+]2CC[C@@H](c3ccco3)C2)ccc1C#N ZINC000618593781 349116028 /nfs/dbraw/zinc/11/60/28/349116028.db2.gz QJWFFWDSEIVHTK-MRXNPFEDSA-N 1 1 266.344 3.449 20 30 CGEDMO Cc1cccc([C@H]2CCC[N@@H+]2C[C@@H](C)CCC#N)n1 ZINC000618887907 349175478 /nfs/dbraw/zinc/17/54/78/349175478.db2.gz IUMVRJJUMCQPBD-XJKSGUPXSA-N 1 1 257.381 3.467 20 30 CGEDMO N#CC1(C[NH2+]Cc2cccc(-c3ccncc3)c2)CC1 ZINC000619535215 349257699 /nfs/dbraw/zinc/25/76/99/349257699.db2.gz NXEVUPDQQXWLIA-UHFFFAOYSA-N 1 1 263.344 3.142 20 30 CGEDMO CC[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CCCO1 ZINC000619624038 349263585 /nfs/dbraw/zinc/26/35/85/349263585.db2.gz HFDPZDZDNRPFLP-KRWDZBQOSA-N 1 1 286.419 3.489 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([NH2+]Cc2c(F)c(F)cc(F)c2F)C1 ZINC000619673106 349269092 /nfs/dbraw/zinc/26/90/92/349269092.db2.gz UMBRETMGYXCONJ-HTQZYQBOSA-N 1 1 272.245 3.025 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000619672598 349269180 /nfs/dbraw/zinc/26/91/80/349269180.db2.gz KRJQPYXKJBPURQ-CEXWTWQISA-N 1 1 297.446 3.180 20 30 CGEDMO C=CC[N@H+](Cc1cncc(OC)n1)CC1CCCCC1 ZINC000625162609 350135301 /nfs/dbraw/zinc/13/53/01/350135301.db2.gz YNXXJCBPZPANRG-UHFFFAOYSA-N 1 1 275.396 3.054 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1coc(-c2ccccc2F)n1 ZINC000625314244 350157010 /nfs/dbraw/zinc/15/70/10/350157010.db2.gz NPQVUOFTNVXJHR-UHFFFAOYSA-N 1 1 260.312 3.489 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1coc(-c2ccccc2F)n1 ZINC000625314244 350157013 /nfs/dbraw/zinc/15/70/13/350157013.db2.gz NPQVUOFTNVXJHR-UHFFFAOYSA-N 1 1 260.312 3.489 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C)cc2C)C1 ZINC000625705147 350200546 /nfs/dbraw/zinc/20/05/46/350200546.db2.gz XLHFCRFQDJFYSE-OAHLLOKOSA-N 1 1 272.392 3.140 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CCCCCn2cc(C)cn2)C1 ZINC000625702487 350200212 /nfs/dbraw/zinc/20/02/12/350200212.db2.gz YSRSBRXYYSKALQ-INIZCTEOSA-N 1 1 261.413 3.260 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2nc(Cc3ccccc3)no2)C1 ZINC000625704445 350200602 /nfs/dbraw/zinc/20/06/02/350200602.db2.gz UAHCDTLRDJADAY-OAHLLOKOSA-N 1 1 283.375 3.058 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cccnc2C(F)(F)F)C1 ZINC000625704342 350200637 /nfs/dbraw/zinc/20/06/37/350200637.db2.gz IEXCETJQRFAUND-LLVKDONJSA-N 1 1 270.298 3.498 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000625705200 350200648 /nfs/dbraw/zinc/20/06/48/350200648.db2.gz YOPFKKPKMDMMFZ-MAUKXSAKSA-N 1 1 298.430 3.078 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000626007322 350245881 /nfs/dbraw/zinc/24/58/81/350245881.db2.gz BJUUHXKWPJMFKM-AWEZNQCLSA-N 1 1 285.309 3.001 20 30 CGEDMO N#Cc1c(C[NH+]2CCC(C(F)F)CC2)cn2ccccc12 ZINC000336530610 213413396 /nfs/dbraw/zinc/41/33/96/213413396.db2.gz NNRANCBMGVXBHV-UHFFFAOYSA-N 1 1 289.329 3.288 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000628405502 350528459 /nfs/dbraw/zinc/52/84/59/350528459.db2.gz NROOJTAISPDFML-AWEZNQCLSA-N 1 1 258.365 3.043 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000628404960 350529030 /nfs/dbraw/zinc/52/90/30/350529030.db2.gz ACCWRWSWIGWMIT-CQSZACIVSA-N 1 1 255.361 3.360 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000628406495 350529474 /nfs/dbraw/zinc/52/94/74/350529474.db2.gz KVYNNOVRVORPRV-CQSZACIVSA-N 1 1 285.366 3.409 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cnc3ccc(C)cn23)C1 ZINC000628405548 350529631 /nfs/dbraw/zinc/52/96/31/350529631.db2.gz OEBPBZBFGKZLCN-AWEZNQCLSA-N 1 1 255.365 3.041 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000631313986 351023000 /nfs/dbraw/zinc/02/30/00/351023000.db2.gz UVCAHMDWDPTQIE-KRWDZBQOSA-N 1 1 298.430 3.124 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000632842819 351223163 /nfs/dbraw/zinc/22/31/63/351223163.db2.gz XFTDNSRUQRSLPF-MRXNPFEDSA-N 1 1 290.451 3.256 20 30 CGEDMO C[N@@H+](Cc1cnc2ccc(C#N)cn12)C1CCCCCC1 ZINC000122062231 187013206 /nfs/dbraw/zinc/01/32/06/187013206.db2.gz CCVYCPOHMFLUBG-UHFFFAOYSA-N 1 1 282.391 3.361 20 30 CGEDMO C[C@H]1C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC[C@@H]1C ZINC000122735359 187048879 /nfs/dbraw/zinc/04/88/79/187048879.db2.gz CTVOLWYFGVHANG-STQMWFEESA-N 1 1 296.374 3.086 20 30 CGEDMO C=CC[N@H+](CCC1OCCO1)Cc1ccc(Cl)s1 ZINC000123586562 187099773 /nfs/dbraw/zinc/09/97/73/187099773.db2.gz PUBANFFKVUTIKR-UHFFFAOYSA-N 1 1 287.812 3.153 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC=C(c3cccnc3)C2)c(F)c1 ZINC000336476224 213346917 /nfs/dbraw/zinc/34/69/17/213346917.db2.gz VFQMRKXOEKUEMV-UHFFFAOYSA-N 1 1 293.345 3.382 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC=C(c3cccnc3)C2)c(F)c1 ZINC000336476224 213346920 /nfs/dbraw/zinc/34/69/20/213346920.db2.gz VFQMRKXOEKUEMV-UHFFFAOYSA-N 1 1 293.345 3.382 20 30 CGEDMO CSC[C@@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000292407919 198277412 /nfs/dbraw/zinc/27/74/12/198277412.db2.gz LWJXWXWSNTUISQ-CQSZACIVSA-N 1 1 299.443 3.386 20 30 CGEDMO Clc1cccc(C#CC[N@@H+](C[C@@H]2CCOC2)C2CC2)c1 ZINC000156113443 188243322 /nfs/dbraw/zinc/24/33/22/188243322.db2.gz KGYNGCNXALKLGB-HNNXBMFYSA-N 1 1 289.806 3.192 20 30 CGEDMO C#CC[C@@H]([NH2+]Cc1nccn1C(C)C)c1ccccc1 ZINC000271754363 191306794 /nfs/dbraw/zinc/30/67/94/191306794.db2.gz YKCULDVUFDTJEN-MRXNPFEDSA-N 1 1 267.376 3.318 20 30 CGEDMO N#Cc1c(F)cccc1C[NH+]1CCC(c2ccncc2)CC1 ZINC000336126201 283075208 /nfs/dbraw/zinc/07/52/08/283075208.db2.gz VGLZDJIPJKNBKK-UHFFFAOYSA-N 1 1 295.361 3.472 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cccc(Br)n1 ZINC000272403067 191700514 /nfs/dbraw/zinc/70/05/14/191700514.db2.gz JLTDGLOBPKTRTH-UHFFFAOYSA-N 1 1 267.170 3.018 20 30 CGEDMO C[N@@H+]1CC=C(CNc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000273570895 192209427 /nfs/dbraw/zinc/20/94/27/192209427.db2.gz AFOZYIMQHNDWMT-UHFFFAOYSA-N 1 1 295.308 3.251 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cscn1 ZINC000336360442 283195065 /nfs/dbraw/zinc/19/50/65/283195065.db2.gz SRKWCLHRRKJNEL-OAHLLOKOSA-N 1 1 269.373 3.182 20 30 CGEDMO N#Cc1ccccc1N1CCC[N@@H+](C[C@H]2CC=CCC2)CC1 ZINC000091792294 283215623 /nfs/dbraw/zinc/21/56/23/283215623.db2.gz RWRPVRVXSHVLPZ-KRWDZBQOSA-N 1 1 295.430 3.427 20 30 CGEDMO C[C@H]1CCSCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000336327535 213173351 /nfs/dbraw/zinc/17/33/51/213173351.db2.gz RXOMTBWVTQVPJZ-NSHDSACASA-N 1 1 264.369 3.025 20 30 CGEDMO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000124611231 138376295 /nfs/dbraw/zinc/37/62/95/138376295.db2.gz JLLRRFVEUQJWDN-IUODEOHRSA-N 1 1 258.365 3.330 20 30 CGEDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000125516061 138382528 /nfs/dbraw/zinc/38/25/28/138382528.db2.gz ISXZYRYMVYVJJQ-ZDUSSCGKSA-N 1 1 298.361 3.466 20 30 CGEDMO C[C@H]1C[C@H](c2cccnc2)[N@H+](CC2(C#N)CCC2)C1 ZINC000336261988 291154493 /nfs/dbraw/zinc/15/44/93/291154493.db2.gz YZQMIBYWSRFUSI-DZGCQCFKSA-N 1 1 255.365 3.158 20 30 CGEDMO C[C@H]1C[C@H](c2cccnc2)[N@@H+](CC2(C#N)CCC2)C1 ZINC000336261988 291154494 /nfs/dbraw/zinc/15/44/94/291154494.db2.gz YZQMIBYWSRFUSI-DZGCQCFKSA-N 1 1 255.365 3.158 20 30 CGEDMO CO[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C[C@@H]1C ZINC000336257831 213094339 /nfs/dbraw/zinc/09/43/39/213094339.db2.gz VAQSCZIRVJGPOJ-XHDPSFHLSA-N 1 1 278.783 3.068 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C[C@@H]1C ZINC000336257831 213094342 /nfs/dbraw/zinc/09/43/42/213094342.db2.gz VAQSCZIRVJGPOJ-XHDPSFHLSA-N 1 1 278.783 3.068 20 30 CGEDMO C[C@H]([NH2+]Cc1cccc(C#N)c1F)c1cccc(O)c1 ZINC000341802686 216111351 /nfs/dbraw/zinc/11/13/51/216111351.db2.gz ASFCFKHUCSVCHW-NSHDSACASA-N 1 1 270.307 3.254 20 30 CGEDMO CCC[N@@H+](CC(C)C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000297749447 200275084 /nfs/dbraw/zinc/27/50/84/200275084.db2.gz CYJJRXTYHHRMBH-CQSZACIVSA-N 1 1 287.407 3.253 20 30 CGEDMO C[NH+](C)[C@H](CNCc1ccc(C#N)cc1F)c1ccccc1 ZINC000298074738 200327688 /nfs/dbraw/zinc/32/76/88/200327688.db2.gz GZBUDSXVXKYGFJ-GOSISDBHSA-N 1 1 297.377 3.090 20 30 CGEDMO Cc1cccc(C[N@@H+](C)C[C@@H](O)c2ccc(C#N)cc2)c1C ZINC000298258901 200374335 /nfs/dbraw/zinc/37/43/35/200374335.db2.gz MAVDBTOVRCXQGE-LJQANCHMSA-N 1 1 294.398 3.341 20 30 CGEDMO C#CCOc1ccc(C[N@@H+](C)Cc2scnc2C)cc1 ZINC000179428041 189193474 /nfs/dbraw/zinc/19/34/74/189193474.db2.gz MAQMVGZDMIBWEC-UHFFFAOYSA-N 1 1 286.400 3.096 20 30 CGEDMO CC[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C(C)C ZINC000179912703 189227642 /nfs/dbraw/zinc/22/76/42/189227642.db2.gz YBKUSXPMHUNFPO-UHFFFAOYSA-N 1 1 282.391 3.189 20 30 CGEDMO C[C@@H](CNc1ccc(F)cc1C#N)[N@H+]1CCC[C@@H](C)C1 ZINC000301359585 200985804 /nfs/dbraw/zinc/98/58/04/200985804.db2.gz LPMIMXACZJSZHL-OLZOCXBDSA-N 1 1 275.371 3.230 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)cc1 ZINC000181537669 189299730 /nfs/dbraw/zinc/29/97/30/189299730.db2.gz SZCSMXJOHCEDRU-LJQANCHMSA-N 1 1 292.382 3.002 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)cc1 ZINC000181537669 189299731 /nfs/dbraw/zinc/29/97/31/189299731.db2.gz SZCSMXJOHCEDRU-LJQANCHMSA-N 1 1 292.382 3.002 20 30 CGEDMO C[C@@H](NCc1cccc(C#N)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183103714 189346629 /nfs/dbraw/zinc/34/66/29/189346629.db2.gz HEVIFHPXPVFQMY-QAPCUYQASA-N 1 1 297.446 3.301 20 30 CGEDMO C[C@@H](NCc1cccc(C#N)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183103714 189346630 /nfs/dbraw/zinc/34/66/30/189346630.db2.gz HEVIFHPXPVFQMY-QAPCUYQASA-N 1 1 297.446 3.301 20 30 CGEDMO C[C@@H](NCc1ccc(C#N)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183100444 189347005 /nfs/dbraw/zinc/34/70/05/189347005.db2.gz SDNDBMDEEYEZDF-CRAIPNDOSA-N 1 1 297.446 3.301 20 30 CGEDMO C[C@@H](NCc1ccc(C#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183100444 189347006 /nfs/dbraw/zinc/34/70/06/189347006.db2.gz SDNDBMDEEYEZDF-CRAIPNDOSA-N 1 1 297.446 3.301 20 30 CGEDMO C=C(C)[C@@H](NC(=O)C[N@H+](C)C(C)C)c1ccc(F)c(F)c1 ZINC000184859062 189397809 /nfs/dbraw/zinc/39/78/09/189397809.db2.gz KBELOECNMWRZHX-MRXNPFEDSA-N 1 1 296.361 3.038 20 30 CGEDMO CC(=O)c1ccc(C#N)cc1NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000302117655 201347450 /nfs/dbraw/zinc/34/74/50/201347450.db2.gz SESLCQDVDIMSKP-KBPBESRZSA-N 1 1 299.418 3.293 20 30 CGEDMO CC(C)CO[C@@H]1CC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000120195526 370746862 /nfs/dbraw/zinc/74/68/62/370746862.db2.gz XKXSSAMSCPDVAT-MRXNPFEDSA-N 1 1 297.402 3.058 20 30 CGEDMO CC(C)CO[C@@H]1CC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000120195526 370746866 /nfs/dbraw/zinc/74/68/66/370746866.db2.gz XKXSSAMSCPDVAT-MRXNPFEDSA-N 1 1 297.402 3.058 20 30 CGEDMO C[C@H]1C[C@@H](N(C)Cc2ccc(C#N)cc2Cl)CC[N@H+]1C ZINC000335677967 212398149 /nfs/dbraw/zinc/39/81/49/212398149.db2.gz WYHGDTJNFQOGTP-WFASDCNBSA-N 1 1 291.826 3.126 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1 ZINC000335675761 212395961 /nfs/dbraw/zinc/39/59/61/212395961.db2.gz MWDDRDHXBJGPOH-GJZGRUSLSA-N 1 1 288.416 3.153 20 30 CGEDMO N#Cc1csc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1 ZINC000335675761 212395965 /nfs/dbraw/zinc/39/59/65/212395965.db2.gz MWDDRDHXBJGPOH-GJZGRUSLSA-N 1 1 288.416 3.153 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451409285 240293885 /nfs/dbraw/zinc/29/38/85/240293885.db2.gz AHAXMRALNITYFI-BNEJOLLZSA-N 1 1 284.403 3.245 20 30 CGEDMO CCC[C@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000120873395 370809206 /nfs/dbraw/zinc/80/92/06/370809206.db2.gz WQUGPLWLTFFABP-LBPRGKRZSA-N 1 1 291.420 3.070 20 30 CGEDMO CCC[C@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000120873395 370809210 /nfs/dbraw/zinc/80/92/10/370809210.db2.gz WQUGPLWLTFFABP-LBPRGKRZSA-N 1 1 291.420 3.070 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)C(=O)N[C@H](CCC)c1ccccc1 ZINC000121458319 370862604 /nfs/dbraw/zinc/86/26/04/370862604.db2.gz VVMVRWBSVRLPCD-GOEBONIOSA-N 1 1 274.408 3.150 20 30 CGEDMO Cc1nccn1CCCC[N@@H+](CCC#N)CCC(C)C ZINC000125541431 370937748 /nfs/dbraw/zinc/93/77/48/370937748.db2.gz AIDCCFFZNRPOBZ-UHFFFAOYSA-N 1 1 276.428 3.234 20 30 CGEDMO CC(C)(CCC#N)C[NH+]1CCN(C2CCCCC2)CC1 ZINC000126506998 370945962 /nfs/dbraw/zinc/94/59/62/370945962.db2.gz BYDVPBZBQQWOHR-UHFFFAOYSA-N 1 1 277.456 3.267 20 30 CGEDMO CCCC[N@@H+](CC)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000019846842 368773351 /nfs/dbraw/zinc/77/33/51/368773351.db2.gz FFOMXGPQUTXASR-ZDUSSCGKSA-N 1 1 273.380 3.007 20 30 CGEDMO CC(C)[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)N1CCCC1 ZINC000037240603 369078619 /nfs/dbraw/zinc/07/86/19/369078619.db2.gz LMPNLHUYNHGZSR-YJBOKZPZSA-N 1 1 285.435 3.329 20 30 CGEDMO CCC(CC)[N@@H+](CCOC)Cc1cc(C#N)ccc1F ZINC000042616410 369226504 /nfs/dbraw/zinc/22/65/04/369226504.db2.gz ONJVTPFHWKYZTM-UHFFFAOYSA-N 1 1 278.371 3.334 20 30 CGEDMO C[N@@H+](CCOc1ccccc1)Cc1ccc(C#N)cc1 ZINC000042976287 369239510 /nfs/dbraw/zinc/23/95/10/369239510.db2.gz HFGSIXZWYBTJGA-UHFFFAOYSA-N 1 1 266.344 3.069 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000276079181 193207589 /nfs/dbraw/zinc/20/75/89/193207589.db2.gz ASUXBGWPWGNSQG-UHFFFAOYSA-N 1 1 271.360 3.418 20 30 CGEDMO CC[N@@H+](Cc1cccc(Br)c1)C[C@H](C)C#N ZINC000044413227 369260970 /nfs/dbraw/zinc/26/09/70/369260970.db2.gz LUYPCFUDHMIHTJ-LLVKDONJSA-N 1 1 281.197 3.431 20 30 CGEDMO CC[N@H+](Cc1cccc(Br)c1)C[C@H](C)C#N ZINC000044413227 369260974 /nfs/dbraw/zinc/26/09/74/369260974.db2.gz LUYPCFUDHMIHTJ-LLVKDONJSA-N 1 1 281.197 3.431 20 30 CGEDMO CCCC[N@@H+](CCC(=O)Nc1sccc1C#N)C1CC1 ZINC000046603000 369295172 /nfs/dbraw/zinc/29/51/72/369295172.db2.gz DCBCWGNCUFDODD-UHFFFAOYSA-N 1 1 291.420 3.213 20 30 CGEDMO C[N@@H+](CCc1ccccc1)Cc1ccc(C#N)cc1 ZINC000046528252 369295191 /nfs/dbraw/zinc/29/51/91/369295191.db2.gz PNMLWQGGQVREMZ-UHFFFAOYSA-N 1 1 250.345 3.233 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1cccc(SC)c1 ZINC000048617490 369361586 /nfs/dbraw/zinc/36/15/86/369361586.db2.gz BTWPXUDIERPAFD-UHFFFAOYSA-N 1 1 278.421 3.245 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1cccc(SC)c1 ZINC000048617490 369361589 /nfs/dbraw/zinc/36/15/89/369361589.db2.gz BTWPXUDIERPAFD-UHFFFAOYSA-N 1 1 278.421 3.245 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)C(C1CC1)C1CC1 ZINC000050988962 369446678 /nfs/dbraw/zinc/44/66/78/369446678.db2.gz FYZRFQLYVROFBT-UHFFFAOYSA-N 1 1 297.402 3.007 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@H](OCC(C)C)C1 ZINC000537724487 376197586 /nfs/dbraw/zinc/19/75/86/376197586.db2.gz CXPHJJWHWBLBAT-KRWDZBQOSA-N 1 1 289.419 3.498 20 30 CGEDMO C=CCNC(=O)C[N@@H+]([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000064143124 369650351 /nfs/dbraw/zinc/65/03/51/369650351.db2.gz PBRZZPYODVXSFF-LBPRGKRZSA-N 1 1 292.810 3.168 20 30 CGEDMO C=CCNC(=O)C[N@H+]([C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000064143124 369650355 /nfs/dbraw/zinc/65/03/55/369650355.db2.gz PBRZZPYODVXSFF-LBPRGKRZSA-N 1 1 292.810 3.168 20 30 CGEDMO CN1CCCC[C@H]1CC[N@H+](C)CCCC(C)(C)C#N ZINC000174877300 261201232 /nfs/dbraw/zinc/20/12/32/261201232.db2.gz GJWWRPQRCHAJES-HNNXBMFYSA-N 1 1 265.445 3.123 20 30 CGEDMO CN1CCCC[C@H]1CC[N@@H+](C)CCCC(C)(C)C#N ZINC000174877300 261201234 /nfs/dbraw/zinc/20/12/34/261201234.db2.gz GJWWRPQRCHAJES-HNNXBMFYSA-N 1 1 265.445 3.123 20 30 CGEDMO CC1(C)CCC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000070259015 369793103 /nfs/dbraw/zinc/79/31/03/369793103.db2.gz ITLXPIRNZUCCOG-UHFFFAOYSA-N 1 1 258.365 3.059 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(-n2ccnc2)cc1 ZINC000072950134 369846489 /nfs/dbraw/zinc/84/64/89/369846489.db2.gz GCMDFEVLEZKKQN-UHFFFAOYSA-N 1 1 255.365 3.270 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)c1c[nH]c2ccccc21 ZINC000076734596 369941253 /nfs/dbraw/zinc/94/12/53/369941253.db2.gz FUWFJERZWOAOOM-UHFFFAOYSA-N 1 1 256.349 3.249 20 30 CGEDMO C=CCCC[N@@H+](C)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000076734054 369941325 /nfs/dbraw/zinc/94/13/25/369941325.db2.gz BEAKRLGYPUKFFR-UHFFFAOYSA-N 1 1 297.358 3.067 20 30 CGEDMO C=CCCC[N@H+](C)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000076734054 369941329 /nfs/dbraw/zinc/94/13/29/369941329.db2.gz BEAKRLGYPUKFFR-UHFFFAOYSA-N 1 1 297.358 3.067 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000076736705 369941609 /nfs/dbraw/zinc/94/16/09/369941609.db2.gz OIIWQCVXVOQIJR-HOTGVXAUSA-N 1 1 278.440 3.066 20 30 CGEDMO N#CCCC[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000079962458 369981205 /nfs/dbraw/zinc/98/12/05/369981205.db2.gz AETUKBMMGZQKBG-CYBMUJFWSA-N 1 1 269.348 3.311 20 30 CGEDMO Cc1c(Br)cccc1C[N@@H+](C)[C@@H](C)CC#N ZINC000090552284 370062396 /nfs/dbraw/zinc/06/23/96/370062396.db2.gz NJTGHTNZEZNUDO-JTQLQIEISA-N 1 1 281.197 3.492 20 30 CGEDMO Cc1c(Br)cccc1C[N@H+](C)[C@@H](C)CC#N ZINC000090552284 370062400 /nfs/dbraw/zinc/06/24/00/370062400.db2.gz NJTGHTNZEZNUDO-JTQLQIEISA-N 1 1 281.197 3.492 20 30 CGEDMO CC[C@@H]1CC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000091929987 370082167 /nfs/dbraw/zinc/08/21/67/370082167.db2.gz XGZPBAIASQTCDH-OAHLLOKOSA-N 1 1 271.408 3.268 20 30 CGEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(C#N)cs2)C12CCC2 ZINC000092041114 370089857 /nfs/dbraw/zinc/08/98/57/370089857.db2.gz QZIXQRMOUJSHPW-CABCVRRESA-N 1 1 290.432 3.399 20 30 CGEDMO CC[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@@H](C)C(C)C ZINC000092590262 370097789 /nfs/dbraw/zinc/09/77/89/370097789.db2.gz HRDHPFQZCYNMBS-ZDUSSCGKSA-N 1 1 270.380 3.072 20 30 CGEDMO C=CC[N@H+](Cc1cn(C)nc1C)CC1CCCCC1 ZINC000093382936 370120552 /nfs/dbraw/zinc/12/05/52/370120552.db2.gz OBSOLGHDSWIRDD-UHFFFAOYSA-N 1 1 261.413 3.297 20 30 CGEDMO CCC(CC)[N@@H+](CCOC)Cc1ccc(F)cc1C#N ZINC000103143410 370319705 /nfs/dbraw/zinc/31/97/05/370319705.db2.gz LSJIAAPQDUEKNG-UHFFFAOYSA-N 1 1 278.371 3.334 20 30 CGEDMO N#CCCCCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103229113 370320830 /nfs/dbraw/zinc/32/08/30/370320830.db2.gz YSVHXLQCXHWESW-KRWDZBQOSA-N 1 1 277.456 3.268 20 30 CGEDMO CCc1nc([C@@H](C)[NH2+]Cc2cccc(C#N)c2)cs1 ZINC000111406351 370399402 /nfs/dbraw/zinc/39/94/02/370399402.db2.gz XDWOJVLVXPXENE-LLVKDONJSA-N 1 1 271.389 3.428 20 30 CGEDMO C=CC[N@H+](CC(=O)N1CCCC[C@H]1C)CC1CCCCC1 ZINC000112607376 370437416 /nfs/dbraw/zinc/43/74/16/370437416.db2.gz PUJPQYZVJLNQJA-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO CC[C@H](c1ccncc1)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000130265487 371021931 /nfs/dbraw/zinc/02/19/31/371021931.db2.gz BVNAOIDHCYXBES-GOSISDBHSA-N 1 1 295.386 3.415 20 30 CGEDMO CC(C)(C)c1cnc(CO[NH+]=C(N)C2CCCCC2)o1 ZINC000131248749 371092939 /nfs/dbraw/zinc/09/29/39/371092939.db2.gz YSEPEDFEOZWVCU-UHFFFAOYSA-N 1 1 279.384 3.341 20 30 CGEDMO N#Cc1cccc(OCC[N@H+]2CCc3ccsc3C2)c1 ZINC000132592250 371187420 /nfs/dbraw/zinc/18/74/20/371187420.db2.gz YSIYPUOQAWHXDC-UHFFFAOYSA-N 1 1 284.384 3.057 20 30 CGEDMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ccccc1C#N ZINC000134221775 371313238 /nfs/dbraw/zinc/31/32/38/371313238.db2.gz ANHCMOWEVYLHMV-IFXJQAMLSA-N 1 1 292.382 3.382 20 30 CGEDMO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ccccc1C#N ZINC000134221740 371313599 /nfs/dbraw/zinc/31/35/99/371313599.db2.gz ANHCMOWEVYLHMV-LIRRHRJNSA-N 1 1 292.382 3.382 20 30 CGEDMO CS[C@@H]1CCCC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000134559310 371350407 /nfs/dbraw/zinc/35/04/07/371350407.db2.gz HMQUANUFIXVRLQ-OAHLLOKOSA-N 1 1 290.432 3.155 20 30 CGEDMO CS[C@@H]1CCCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000134600886 371353346 /nfs/dbraw/zinc/35/33/46/371353346.db2.gz HRISGKGNPKOBMI-CQSZACIVSA-N 1 1 278.396 3.415 20 30 CGEDMO CC[C@@H]1CCCCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000134726458 371361026 /nfs/dbraw/zinc/36/10/26/371361026.db2.gz BHEYZHJAUPTBQX-MRXNPFEDSA-N 1 1 285.391 3.151 20 30 CGEDMO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2ccc(C#N)o2)c1 ZINC000135132352 371392551 /nfs/dbraw/zinc/39/25/51/371392551.db2.gz MXIKVIMRULOOHG-LLVKDONJSA-N 1 1 286.331 3.019 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2ccc(F)c(Cl)c2)o1 ZINC000135171166 371398478 /nfs/dbraw/zinc/39/84/78/371398478.db2.gz BTQKGPHWUIGGBF-UHFFFAOYSA-N 1 1 264.687 3.234 20 30 CGEDMO CC(C)(C#N)CCCO[NH+]=C(N)CCc1ccccc1 ZINC000135493211 371431968 /nfs/dbraw/zinc/43/19/68/371431968.db2.gz HVKGNZDKRIFHJW-UHFFFAOYSA-N 1 1 273.380 3.238 20 30 CGEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@H]1CC=CCC1 ZINC000344080712 284294442 /nfs/dbraw/zinc/29/44/42/284294442.db2.gz ZGFMABRNUXXNDR-YOEHRIQHSA-N 1 1 298.386 3.060 20 30 CGEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1CC=CCC1 ZINC000344080712 284294443 /nfs/dbraw/zinc/29/44/43/284294443.db2.gz ZGFMABRNUXXNDR-YOEHRIQHSA-N 1 1 298.386 3.060 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+]1CCC2(CC(OCC)C2)C1 ZINC000289524116 371756577 /nfs/dbraw/zinc/75/65/77/371756577.db2.gz HGYVTQUBXRIZCW-UHFFFAOYSA-N 1 1 299.414 3.090 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCOC(C)(C)C1 ZINC000289829883 371835015 /nfs/dbraw/zinc/83/50/15/371835015.db2.gz OOGANOXNTKRATP-OAHLLOKOSA-N 1 1 290.382 3.477 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@H](C3CC3)C2)ccc1F ZINC000344084694 217043083 /nfs/dbraw/zinc/04/30/83/217043083.db2.gz GPPUJTGDJRGRFY-AWEZNQCLSA-N 1 1 258.340 3.319 20 30 CGEDMO C#CC[N@H+](Cc1nc(-c2cccs2)no1)C1CCCC1 ZINC000155734810 371940307 /nfs/dbraw/zinc/94/03/07/371940307.db2.gz MNMUTBFALKGBSQ-UHFFFAOYSA-N 1 1 287.388 3.176 20 30 CGEDMO C#CC[N@@H+](Cc1nc(-c2cccs2)no1)C1CCCC1 ZINC000155734810 371940314 /nfs/dbraw/zinc/94/03/14/371940314.db2.gz MNMUTBFALKGBSQ-UHFFFAOYSA-N 1 1 287.388 3.176 20 30 CGEDMO CC#CCC[N@@H+](C)Cc1ccc(Br)cc1 ZINC000155068044 371902991 /nfs/dbraw/zinc/90/29/91/371902991.db2.gz JZYCGOTYLLYOEO-UHFFFAOYSA-N 1 1 266.182 3.294 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000155101680 371906166 /nfs/dbraw/zinc/90/61/66/371906166.db2.gz HLFQOCZWUORZIK-AWEZNQCLSA-N 1 1 290.407 3.156 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000156146842 371964190 /nfs/dbraw/zinc/96/41/90/371964190.db2.gz VRYNTIMWGKKBPU-RBSFLKMASA-N 1 1 266.429 3.062 20 30 CGEDMO CC[N@H+](Cc1ccc(C#N)o1)[C@H](C)c1cccnc1 ZINC000290548852 372015114 /nfs/dbraw/zinc/01/51/14/372015114.db2.gz RRKCIHXQRTZTFU-GFCCVEGCSA-N 1 1 255.321 3.129 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)o1)[C@H](C)c1cccnc1 ZINC000290548852 372015121 /nfs/dbraw/zinc/01/51/21/372015121.db2.gz RRKCIHXQRTZTFU-GFCCVEGCSA-N 1 1 255.321 3.129 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cnc2c(cnn2C(C)C)c1 ZINC000157573367 372027561 /nfs/dbraw/zinc/02/75/61/372027561.db2.gz XKEDKHLJHXZIAS-UHFFFAOYSA-N 1 1 272.396 3.410 20 30 CGEDMO CC1CCC(O)(C[N@@H+](CCC#N)CC(C)(C)C)CC1 ZINC000157978396 372045854 /nfs/dbraw/zinc/04/58/54/372045854.db2.gz ARJWMYZACSCWCT-UHFFFAOYSA-N 1 1 266.429 3.189 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)CC1(O)CCC(C)CC1 ZINC000157151813 372008934 /nfs/dbraw/zinc/00/89/34/372008934.db2.gz XRIFPVKWARFUGE-UHFFFAOYSA-N 1 1 266.429 3.189 20 30 CGEDMO O[C@@H]1CCCC[C@H]1[C@H]1CCCC[N@H+]1CC#Cc1ccccc1 ZINC000291080068 372112879 /nfs/dbraw/zinc/11/28/79/372112879.db2.gz GLYNGVYMVNQCMD-XUVXKRRUSA-N 1 1 297.442 3.444 20 30 CGEDMO CC[N@@H+](CCCc1nc(-c2ccccc2)no1)C[C@@H](C)C#N ZINC000159543012 372154120 /nfs/dbraw/zinc/15/41/20/372154120.db2.gz IYTDJGWSMDMYPT-AWEZNQCLSA-N 1 1 298.390 3.151 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)ncn2C ZINC000426570671 372165356 /nfs/dbraw/zinc/16/53/56/372165356.db2.gz NTVATCZJHYVOJX-AWEZNQCLSA-N 1 1 255.365 3.114 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1cccc2c1OCCCO2 ZINC000426560690 372165423 /nfs/dbraw/zinc/16/54/23/372165423.db2.gz RIOYEBVWKBYJGL-HNNXBMFYSA-N 1 1 273.376 3.388 20 30 CGEDMO CC(C)[N@@H+](CC#Cc1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000291602241 372171206 /nfs/dbraw/zinc/17/12/06/372171206.db2.gz BXTDCYYJAVOOJC-MRXNPFEDSA-N 1 1 277.795 3.191 20 30 CGEDMO CCc1nc(C)c(C[N@H+](C)Cc2cccc(C#N)c2)o1 ZINC000428467721 372214497 /nfs/dbraw/zinc/21/44/97/372214497.db2.gz ZVWLSCIJYMXXBY-UHFFFAOYSA-N 1 1 269.348 3.049 20 30 CGEDMO CCc1nc(C)c(C[N@@H+](C)Cc2cccc(C#N)c2)o1 ZINC000428467721 372214506 /nfs/dbraw/zinc/21/45/06/372214506.db2.gz ZVWLSCIJYMXXBY-UHFFFAOYSA-N 1 1 269.348 3.049 20 30 CGEDMO C=CC[N@H+](C)Cc1cn(C)nc1-c1ccccc1Cl ZINC000428377707 372187536 /nfs/dbraw/zinc/18/75/36/372187536.db2.gz SQCQGEMLMMMCAQ-UHFFFAOYSA-N 1 1 275.783 3.358 20 30 CGEDMO C=CC[N@H+](C)Cc1ccccc1OCc1ccncc1 ZINC000428381694 372187770 /nfs/dbraw/zinc/18/77/70/372187770.db2.gz PHERQIGFUFGOEB-UHFFFAOYSA-N 1 1 268.360 3.278 20 30 CGEDMO C[N@H+]1CCC[C@@]2(CCN(c3ccc(Cl)cc3C#N)C2)C1 ZINC000292654802 372198212 /nfs/dbraw/zinc/19/82/12/372198212.db2.gz CAAPWPVSSDFMNF-MRXNPFEDSA-N 1 1 289.810 3.134 20 30 CGEDMO COCC[N@@H+](Cc1cccc(F)c1C#N)[C@@H]1CC[C@@H](C)C1 ZINC000428968959 372294038 /nfs/dbraw/zinc/29/40/38/372294038.db2.gz QILFCUNCAVPACO-UKRRQHHQSA-N 1 1 290.382 3.334 20 30 CGEDMO CCC(C)(C)CC[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428809151 372265806 /nfs/dbraw/zinc/26/58/06/372265806.db2.gz VTOHHWLJNVDVFA-HNNXBMFYSA-N 1 1 287.407 3.233 20 30 CGEDMO C[C@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1CCCC#N ZINC000429000342 372301933 /nfs/dbraw/zinc/30/19/33/372301933.db2.gz WDHCOTYIXQJBEM-LBPRGKRZSA-N 1 1 295.789 3.293 20 30 CGEDMO COCC[N@@H+](Cc1cccc(F)c1C#N)[C@H]1CCC[C@H]1C ZINC000428945168 372287137 /nfs/dbraw/zinc/28/71/37/372287137.db2.gz XGBCEZHMIZXALW-DYVFJYSZSA-N 1 1 290.382 3.334 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)s1)Cc1ccc(F)cc1 ZINC000161148882 372305576 /nfs/dbraw/zinc/30/55/76/372305576.db2.gz ZYQBQKPPOGIERW-UHFFFAOYSA-N 1 1 260.337 3.391 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)s1)Cc1ccc(F)cc1 ZINC000161148882 372305578 /nfs/dbraw/zinc/30/55/78/372305578.db2.gz ZYQBQKPPOGIERW-UHFFFAOYSA-N 1 1 260.337 3.391 20 30 CGEDMO C[C@H]1CN(Cc2ccc(CC#N)cc2)CC[N@H+](C2CCC2)C1 ZINC000429391769 372360974 /nfs/dbraw/zinc/36/09/74/372360974.db2.gz BDMWYIDOJSWWIH-INIZCTEOSA-N 1 1 297.446 3.059 20 30 CGEDMO CSC[C@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000429274049 372333804 /nfs/dbraw/zinc/33/38/04/372333804.db2.gz HWLFEAMYWHSAIE-LBPRGKRZSA-N 1 1 278.396 3.272 20 30 CGEDMO CSC[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000429274049 372333805 /nfs/dbraw/zinc/33/38/05/372333805.db2.gz HWLFEAMYWHSAIE-LBPRGKRZSA-N 1 1 278.396 3.272 20 30 CGEDMO CC(C)([NH2+]CC#Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000429272392 372333852 /nfs/dbraw/zinc/33/38/52/372333852.db2.gz JNLVLMKAKBXNDD-UHFFFAOYSA-N 1 1 294.354 3.471 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)[C@H](C)c1nc2ccccc2o1 ZINC000429727557 372376843 /nfs/dbraw/zinc/37/68/43/372376843.db2.gz VIBWNHFHXKBBBA-CQSZACIVSA-N 1 1 287.407 3.329 20 30 CGEDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC000344388625 217177628 /nfs/dbraw/zinc/17/76/28/217177628.db2.gz BHJFONNMZZWPPY-CZUORRHYSA-N 1 1 289.398 3.002 20 30 CGEDMO Cc1ccc(C[NH2+]C[C@H](C)C#N)cc1Br ZINC000163667372 372485914 /nfs/dbraw/zinc/48/59/14/372485914.db2.gz KLXPNRLQEAHGFL-SECBINFHSA-N 1 1 267.170 3.007 20 30 CGEDMO C=CCCC[C@@H](C)[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000433051099 372580512 /nfs/dbraw/zinc/58/05/12/372580512.db2.gz GCUFICVXXBKVTQ-NVXWUHKLSA-N 1 1 261.409 3.267 20 30 CGEDMO C[N@@H+](CCCOCCc1ccccc1)CC(C)(C)C#N ZINC000433309139 372587782 /nfs/dbraw/zinc/58/77/82/372587782.db2.gz WZEXGRDOPPRYTE-UHFFFAOYSA-N 1 1 274.408 3.117 20 30 CGEDMO C[N@H+](CCOC1CCCCCC1)CC(C)(C)C#N ZINC000433314641 372590360 /nfs/dbraw/zinc/59/03/60/372590360.db2.gz AXJNJGRHWAZVET-UHFFFAOYSA-N 1 1 252.402 3.207 20 30 CGEDMO C[N@@H+](CCOC1CCCCCC1)CC(C)(C)C#N ZINC000433314641 372590365 /nfs/dbraw/zinc/59/03/65/372590365.db2.gz AXJNJGRHWAZVET-UHFFFAOYSA-N 1 1 252.402 3.207 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1ccccc1OC(F)(F)F ZINC000168920566 372623820 /nfs/dbraw/zinc/62/38/20/372623820.db2.gz QLEAOOXLYHGFPV-UHFFFAOYSA-N 1 1 272.270 3.225 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCOc1ccccc1C(C)=O ZINC000170695142 372650143 /nfs/dbraw/zinc/65/01/43/372650143.db2.gz QCRDNHPFCDZQMV-UHFFFAOYSA-N 1 1 261.365 3.166 20 30 CGEDMO C=CCOCC[N@H+](C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000294668403 372665592 /nfs/dbraw/zinc/66/55/92/372665592.db2.gz RSMJLPHUKHMNEP-DLBZAZTESA-N 1 1 293.382 3.180 20 30 CGEDMO CO[C@@H]1CC[N@H+]([C@@H](C)c2ccc(C#N)cc2)CC1(C)C ZINC000295150972 372695571 /nfs/dbraw/zinc/69/55/71/372695571.db2.gz AGKOVWLMWGCGKI-XJKSGUPXSA-N 1 1 272.392 3.366 20 30 CGEDMO C=CCC[C@@H](C)[NH2+]Cc1noc(-c2ccccc2F)n1 ZINC000435028141 372726780 /nfs/dbraw/zinc/72/67/80/372726780.db2.gz OYHSYZJPNNPAJS-LLVKDONJSA-N 1 1 275.327 3.320 20 30 CGEDMO C=CCOc1ccc(C[NH2+][C@@H](C)c2nccn2CC)cc1 ZINC000295309621 372733973 /nfs/dbraw/zinc/73/39/73/372733973.db2.gz VXRHFZOPBNFBNI-AWEZNQCLSA-N 1 1 285.391 3.319 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccc(OC)nc1 ZINC000437686474 372855462 /nfs/dbraw/zinc/85/54/62/372855462.db2.gz HQWORUQYOHRPMP-UHFFFAOYSA-N 1 1 282.387 3.321 20 30 CGEDMO C=CCNC(=O)C[N@H+]1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000441181813 373000571 /nfs/dbraw/zinc/00/05/71/373000571.db2.gz ZAPWQQOQFVLDIZ-SQVRQVGWSA-N 1 1 298.430 3.247 20 30 CGEDMO N#C[C@@H]1CC[C@H]([NH2+]CC2(N3CCCCC3)CCCCC2)C1 ZINC000442636030 373061249 /nfs/dbraw/zinc/06/12/49/373061249.db2.gz RNFANJYHRDWXNC-SJORKVTESA-N 1 1 289.467 3.457 20 30 CGEDMO C[C@H]([NH2+]C(C)(C)CN[C@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000442784294 373079899 /nfs/dbraw/zinc/07/98/99/373079899.db2.gz RWWHJYRVPYIHDO-ZOBUZTSGSA-N 1 1 285.435 3.398 20 30 CGEDMO COc1cc(C[N@H+]2CCS[C@@H](C(C)C)C2)ccc1C#N ZINC000442889133 373123266 /nfs/dbraw/zinc/12/32/66/373123266.db2.gz JBSJVIMEORSEDB-MRXNPFEDSA-N 1 1 290.432 3.140 20 30 CGEDMO C=CC[C@@H]1[N@H+](CCCn2ccnc2)CCCC1(C)C ZINC000444785845 373274418 /nfs/dbraw/zinc/27/44/18/373274418.db2.gz ZRMAJCVFWZIPNA-HNNXBMFYSA-N 1 1 261.413 3.340 20 30 CGEDMO CC[C@H](N[C@@H](C)C[N@H+](C)C(C)C)c1ccc(C#N)cc1 ZINC000353580180 220169239 /nfs/dbraw/zinc/16/92/39/220169239.db2.gz WIDSZNSOPTXDEX-YOEHRIQHSA-N 1 1 273.424 3.328 20 30 CGEDMO CC[C@H](N[C@@H](C)C[N@@H+](C)C(C)C)c1ccc(C#N)cc1 ZINC000353580180 220169241 /nfs/dbraw/zinc/16/92/41/220169241.db2.gz WIDSZNSOPTXDEX-YOEHRIQHSA-N 1 1 273.424 3.328 20 30 CGEDMO CC(C)[N@@H+](C)Cc1cccc(CNCc2ccc(C#N)o2)c1 ZINC000174312990 373288359 /nfs/dbraw/zinc/28/83/59/373288359.db2.gz DEGMBBDXYUCDEB-UHFFFAOYSA-N 1 1 297.402 3.281 20 30 CGEDMO C[C@@H]1CN(c2cccc3cnccc32)CC[N@H+]1CCCC#N ZINC000447380378 373430708 /nfs/dbraw/zinc/43/07/08/373430708.db2.gz FFNKRWREDUMKJO-OAHLLOKOSA-N 1 1 294.402 3.049 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CCC[N@H+](CC)C2)CCCCC1 ZINC000448825691 373644017 /nfs/dbraw/zinc/64/40/17/373644017.db2.gz XBVPXGKHUTZKIH-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO CCOc1ccc(C[N@H+](CCC#N)CC2CC2)cc1 ZINC000177028889 373648664 /nfs/dbraw/zinc/64/86/64/373648664.db2.gz FXNVBDPIZUPOLO-UHFFFAOYSA-N 1 1 258.365 3.211 20 30 CGEDMO CCOc1ccc(C[N@@H+](CCC#N)CC2CC2)cc1 ZINC000177028889 373648668 /nfs/dbraw/zinc/64/86/68/373648668.db2.gz FXNVBDPIZUPOLO-UHFFFAOYSA-N 1 1 258.365 3.211 20 30 CGEDMO C[C@@]12C[N@@H+](Cc3cc(C#N)cs3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000449448265 373728966 /nfs/dbraw/zinc/72/89/66/373728966.db2.gz GMYLFHPWHYBJNM-VRKREXBASA-N 1 1 270.401 3.264 20 30 CGEDMO C=CCC[C@H]([NH2+][C@@H](CC)C1CCC1)C(=O)OCC ZINC000449656501 373838633 /nfs/dbraw/zinc/83/86/33/373838633.db2.gz LFIXUMNFPALORG-KBPBESRZSA-N 1 1 253.386 3.053 20 30 CGEDMO C[C@H]([NH2+]Cc1ccccc1C#N)c1ccc2c(c1)OCO2 ZINC000179059269 373833281 /nfs/dbraw/zinc/83/32/81/373833281.db2.gz FPESZOASBJYIOR-LBPRGKRZSA-N 1 1 280.327 3.138 20 30 CGEDMO CCC[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000179511450 373880751 /nfs/dbraw/zinc/88/07/51/373880751.db2.gz LKTCTZIDMJYVOU-MRXNPFEDSA-N 1 1 285.391 3.151 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCCC[C@H]2COC)cc1 ZINC000449761533 373890075 /nfs/dbraw/zinc/89/00/75/373890075.db2.gz YLNBVHQBMNEQND-INIZCTEOSA-N 1 1 275.392 3.252 20 30 CGEDMO CC(C)C[N@H+](Cc1cnns1)Cc1ccc(C#N)cc1 ZINC000450310542 374052334 /nfs/dbraw/zinc/05/23/34/374052334.db2.gz FAASQAAXJATUOQ-UHFFFAOYSA-N 1 1 286.404 3.068 20 30 CGEDMO CC(C)C[N@@H+](Cc1cnns1)Cc1ccc(C#N)cc1 ZINC000450310542 374052343 /nfs/dbraw/zinc/05/23/43/374052343.db2.gz FAASQAAXJATUOQ-UHFFFAOYSA-N 1 1 286.404 3.068 20 30 CGEDMO CN(CC1(C#N)CCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000450450924 374137082 /nfs/dbraw/zinc/13/70/82/374137082.db2.gz GGZOEDGGRWKOEC-SFHVURJKSA-N 1 1 297.446 3.277 20 30 CGEDMO CC(C)[C@@H](CO)[N@@H+](Cc1ccccc1)CC1(C#N)CCC1 ZINC000450468854 374151377 /nfs/dbraw/zinc/15/13/77/374151377.db2.gz NQZWFRGPGODUKH-QGZVFWFLSA-N 1 1 286.419 3.199 20 30 CGEDMO CC[N@H+](CC1(C#N)CCC1)[C@H](C)c1cccc(O)c1 ZINC000450467061 374151437 /nfs/dbraw/zinc/15/14/37/374151437.db2.gz BWKPJMHJQRFYSD-CYBMUJFWSA-N 1 1 258.365 3.469 20 30 CGEDMO CC[N@@H+](CC1(C#N)CCC1)[C@H](C)c1cccc(O)c1 ZINC000450467061 374151439 /nfs/dbraw/zinc/15/14/39/374151439.db2.gz BWKPJMHJQRFYSD-CYBMUJFWSA-N 1 1 258.365 3.469 20 30 CGEDMO COC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000307783836 374152528 /nfs/dbraw/zinc/15/25/28/374152528.db2.gz RGENDVLOPMQZNT-CQSZACIVSA-N 1 1 278.783 3.213 20 30 CGEDMO N#Cc1cccc(C[NH+]2CCC(C(F)F)CC2)c1F ZINC000307873646 374155647 /nfs/dbraw/zinc/15/56/47/374155647.db2.gz AEYMYXOMFUWRFS-UHFFFAOYSA-N 1 1 268.282 3.174 20 30 CGEDMO C=CCC1(C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)CCCCC1 ZINC000450572336 374162002 /nfs/dbraw/zinc/16/20/02/374162002.db2.gz ULPMIQXTFZIJHJ-LSDHHAIUSA-N 1 1 278.440 3.064 20 30 CGEDMO C[C@@H](NCC1(C#N)CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000450693135 374172762 /nfs/dbraw/zinc/17/27/62/374172762.db2.gz CXNSHFPSEBJQMQ-SJLPKXTDSA-N 1 1 297.446 3.180 20 30 CGEDMO CC[N@@H+](CCCCC1CCOCC1)C[C@H](C)C#N ZINC000310664484 374219649 /nfs/dbraw/zinc/21/96/49/374219649.db2.gz YOVSOWKHGDCUGQ-CQSZACIVSA-N 1 1 252.402 3.065 20 30 CGEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)C(C)(C)C1 ZINC000330993184 374494366 /nfs/dbraw/zinc/49/43/66/374494366.db2.gz LCRAMYMUTGYCNQ-LLVKDONJSA-N 1 1 291.420 3.069 20 30 CGEDMO Cn1c2ccc(F)cc2[nH+]c1NCc1cc(C#N)cs1 ZINC000184255628 374507465 /nfs/dbraw/zinc/50/74/65/374507465.db2.gz RREBNCAAHIVZHD-UHFFFAOYSA-N 1 1 286.335 3.258 20 30 CGEDMO CC[C@H]1[C@H](C)CC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000185597433 374695077 /nfs/dbraw/zinc/69/50/77/374695077.db2.gz VALANRPMBSCOFF-CJNGLKHVSA-N 1 1 285.391 3.007 20 30 CGEDMO CC1(C)C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@H]2CCC[C@@H]21 ZINC000459493709 374809123 /nfs/dbraw/zinc/80/91/23/374809123.db2.gz ZZHMUTJCRHQGHA-HOCLYGCPSA-N 1 1 299.374 3.477 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)CC1(N(C)C)CCC1 ZINC000186999739 374952961 /nfs/dbraw/zinc/95/29/61/374952961.db2.gz CNXQDPJVENIJQE-AWEZNQCLSA-N 1 1 271.408 3.035 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CC1(N(C)C)CCC1 ZINC000186999739 374952967 /nfs/dbraw/zinc/95/29/67/374952967.db2.gz CNXQDPJVENIJQE-AWEZNQCLSA-N 1 1 271.408 3.035 20 30 CGEDMO C[C@@H]1C[C@H](N(C)Cc2ccc(Cl)cc2C#N)CC[N@H+]1C ZINC000187119768 374975749 /nfs/dbraw/zinc/97/57/49/374975749.db2.gz RZWJWYMQUMMCNY-MLGOLLRUSA-N 1 1 291.826 3.126 20 30 CGEDMO C[C@@H]1C[C@@H](N(C)Cc2ccc(Cl)cc2C#N)CC[N@H+]1C ZINC000187119799 374975812 /nfs/dbraw/zinc/97/58/12/374975812.db2.gz RZWJWYMQUMMCNY-WBMJQRKESA-N 1 1 291.826 3.126 20 30 CGEDMO CSCC[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187178820 374984689 /nfs/dbraw/zinc/98/46/89/374984689.db2.gz GKBMFVNBERKWLU-UHFFFAOYSA-N 1 1 254.786 3.006 20 30 CGEDMO CSCC[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187178820 374984695 /nfs/dbraw/zinc/98/46/95/374984695.db2.gz GKBMFVNBERKWLU-UHFFFAOYSA-N 1 1 254.786 3.006 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000470763574 374998757 /nfs/dbraw/zinc/99/87/57/374998757.db2.gz FDBUMCMSTLZBJF-AWEZNQCLSA-N 1 1 295.810 3.386 20 30 CGEDMO C=CCOCCC[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000470725564 374999455 /nfs/dbraw/zinc/99/94/55/374999455.db2.gz ZRCIVMJTSSOCBP-UHFFFAOYSA-N 1 1 283.799 3.243 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000470909729 375000799 /nfs/dbraw/zinc/00/07/99/375000799.db2.gz BILPPZIMCOHXFY-INIZCTEOSA-N 1 1 275.367 3.220 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000470789445 375000925 /nfs/dbraw/zinc/00/09/25/375000925.db2.gz KZPHDZQOVSOZNO-QGZVFWFLSA-N 1 1 259.393 3.377 20 30 CGEDMO CC[C@]1(CO)CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000187616893 375057916 /nfs/dbraw/zinc/05/79/16/375057916.db2.gz FJPXNKCUUBZPPJ-INIZCTEOSA-N 1 1 292.810 3.196 20 30 CGEDMO CC[C@]1(CO)CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000187616893 375057926 /nfs/dbraw/zinc/05/79/26/375057926.db2.gz FJPXNKCUUBZPPJ-INIZCTEOSA-N 1 1 292.810 3.196 20 30 CGEDMO C=CCCCC(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000479564178 375152919 /nfs/dbraw/zinc/15/29/19/375152919.db2.gz PRKBLQQXIYPAOM-UHFFFAOYSA-N 1 1 266.429 3.066 20 30 CGEDMO C[C@H]1Oc2ccccc2[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000335144699 375172033 /nfs/dbraw/zinc/17/20/33/375172033.db2.gz MVPUIIJPEYIBRG-DIFFPNOSSA-N 1 1 282.318 3.309 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1c(OC)ccc2ccccc21 ZINC000483415045 375180066 /nfs/dbraw/zinc/18/00/66/375180066.db2.gz ZIZAQIIEKVQGCW-UHFFFAOYSA-N 1 1 285.387 3.483 20 30 CGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCCC[C@H](C)C1 ZINC000187921957 375116867 /nfs/dbraw/zinc/11/68/67/375116867.db2.gz RBARHSZNYZEUBG-AWEZNQCLSA-N 1 1 288.391 3.068 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cccc(O)c1 ZINC000487431150 375241208 /nfs/dbraw/zinc/24/12/08/375241208.db2.gz MQBYRVWVSUBJDC-ZDUSSCGKSA-N 1 1 266.344 3.457 20 30 CGEDMO CC#CCC[N@@H+]1CCC[C@@]1(Cc1ccccc1)C(=O)OCC ZINC000484305186 375187320 /nfs/dbraw/zinc/18/73/20/375187320.db2.gz UYBGCMTYMOIYMX-LJQANCHMSA-N 1 1 299.414 3.040 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000486426476 375195941 /nfs/dbraw/zinc/19/59/41/375195941.db2.gz NVZYRSLVGXJBIQ-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO CCC1CCC([N@H+](CC#Cc2ccccc2)CCO)CC1 ZINC000488192367 375304842 /nfs/dbraw/zinc/30/48/42/375304842.db2.gz KKXPXCXRLYDGRB-UHFFFAOYSA-N 1 1 285.431 3.301 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(F)c1 ZINC000489432635 375317657 /nfs/dbraw/zinc/31/76/57/375317657.db2.gz QVYUTNBUEGPPKE-OAHLLOKOSA-N 1 1 276.355 3.195 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)N(CC)c1ccccc1 ZINC000489477679 375318433 /nfs/dbraw/zinc/31/84/33/375318433.db2.gz JTEPLJBTAMDXBJ-HNNXBMFYSA-N 1 1 272.392 3.080 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)N(CC)c1ccccc1 ZINC000489477679 375318439 /nfs/dbraw/zinc/31/84/39/375318439.db2.gz JTEPLJBTAMDXBJ-HNNXBMFYSA-N 1 1 272.392 3.080 20 30 CGEDMO C[C@@]12CC[N@H+](Cc3cccc(C#N)c3F)C[C@@H]1C2(F)F ZINC000335740400 375391594 /nfs/dbraw/zinc/39/15/94/375391594.db2.gz YKLNTHFQCPXLDG-GXTWGEPZSA-N 1 1 280.293 3.174 20 30 CGEDMO C[C@@]12CC[N@@H+](Cc3cccc(C#N)c3F)C[C@@H]1C2(F)F ZINC000335740400 375391598 /nfs/dbraw/zinc/39/15/98/375391598.db2.gz YKLNTHFQCPXLDG-GXTWGEPZSA-N 1 1 280.293 3.174 20 30 CGEDMO COc1cccc([C@H]2CCC[N@H+]2Cc2cc(C#N)n(C)c2)c1 ZINC000191205721 375594515 /nfs/dbraw/zinc/59/45/15/375594515.db2.gz LQAFPVYPEQRQLS-GOSISDBHSA-N 1 1 295.386 3.242 20 30 CGEDMO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191207292 375594571 /nfs/dbraw/zinc/59/45/71/375594571.db2.gz DTQZMLQCUOIVBK-LLVKDONJSA-N 1 1 289.329 3.368 20 30 CGEDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191358564 375617462 /nfs/dbraw/zinc/61/74/62/375617462.db2.gz RZJYHPAHLLTBFC-INWMFGNUSA-N 1 1 257.381 3.050 20 30 CGEDMO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191375612 375619135 /nfs/dbraw/zinc/61/91/35/375619135.db2.gz VAOMMEYBKMCGOM-WMLDXEAASA-N 1 1 279.387 3.275 20 30 CGEDMO CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000191660546 375650083 /nfs/dbraw/zinc/65/00/83/375650083.db2.gz QXRINQZXWSOQBZ-QGZVFWFLSA-N 1 1 290.382 3.070 20 30 CGEDMO C=CCOc1ccccc1CN1CCC[N@H+](C(C)C)CC1 ZINC000505290227 375657030 /nfs/dbraw/zinc/65/70/30/375657030.db2.gz OMLVRTFBWKGXJN-UHFFFAOYSA-N 1 1 288.435 3.168 20 30 CGEDMO OCC[N@@H+](CC#Cc1ccccc1)[C@@H]1CCc2ccccc21 ZINC000192058980 375693981 /nfs/dbraw/zinc/69/39/81/375693981.db2.gz MINUUUWBAYWURL-HXUWFJFHSA-N 1 1 291.394 3.020 20 30 CGEDMO C=C(C)C[N@@H+](CC(N)=O)[C@@H](C)c1ccc(CCC)cc1 ZINC000505881716 375664099 /nfs/dbraw/zinc/66/40/99/375664099.db2.gz QYTVELCMYYOWLT-AWEZNQCLSA-N 1 1 274.408 3.064 20 30 CGEDMO C[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192135289 375702143 /nfs/dbraw/zinc/70/21/43/375702143.db2.gz QBLADQOLDUSYRE-LBPRGKRZSA-N 1 1 269.323 3.285 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(-n2ccnc2)cc1C ZINC000192167491 375705975 /nfs/dbraw/zinc/70/59/75/375705975.db2.gz FLFLOZIPEKPRFL-UHFFFAOYSA-N 1 1 255.365 3.189 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](CC)C2)cc1 ZINC000511853416 375793297 /nfs/dbraw/zinc/79/32/97/375793297.db2.gz BNJSKEBJSUGDLC-HOCLYGCPSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2C[C@H](C)O[C@@H](CC)C2)cc1 ZINC000511853416 375793301 /nfs/dbraw/zinc/79/33/01/375793301.db2.gz BNJSKEBJSUGDLC-HOCLYGCPSA-N 1 1 275.392 3.251 20 30 CGEDMO C[C@@H]1[N@@H+](Cc2ccc(C#N)cc2F)CCC12CCOCC2 ZINC000336532623 375812282 /nfs/dbraw/zinc/81/22/82/375812282.db2.gz YXOFKGVPIXUPOG-ZDUSSCGKSA-N 1 1 288.366 3.088 20 30 CGEDMO C=CCCCCC[N@H+](C)CCO[C@H]1CCCCO1 ZINC000193057514 375819800 /nfs/dbraw/zinc/81/98/00/375819800.db2.gz AUDZYZNWMOORBX-HNNXBMFYSA-N 1 1 255.402 3.208 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC=C(c3cccnc3)C2)cc1 ZINC000336397688 375789516 /nfs/dbraw/zinc/78/95/16/375789516.db2.gz IMSOCVIKQKBHNP-UHFFFAOYSA-N 1 1 275.355 3.243 20 30 CGEDMO CC(C)[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)CC1CCC1 ZINC000193213194 375842693 /nfs/dbraw/zinc/84/26/93/375842693.db2.gz QYVFSAIVAAWNFB-QGZVFWFLSA-N 1 1 272.392 3.102 20 30 CGEDMO C[C@H]1[N@@H+](Cc2ccc(C#N)c(F)c2)CCC12CCOCC2 ZINC000336620822 375882244 /nfs/dbraw/zinc/88/22/44/375882244.db2.gz TVWSAUHSDWIQMT-CYBMUJFWSA-N 1 1 288.366 3.088 20 30 CGEDMO CC#CC[N@@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000527049388 375892041 /nfs/dbraw/zinc/89/20/41/375892041.db2.gz KAOFRIMDJKXEHB-UHFFFAOYSA-N 1 1 271.282 3.039 20 30 CGEDMO C[C@@H]1CC[N@@H+](C[C@@H](O)CC2(C#N)CC2)CC12CCCCC2 ZINC000528447618 375901802 /nfs/dbraw/zinc/90/18/02/375901802.db2.gz BAAFCIILEAVART-CVEARBPZSA-N 1 1 290.451 3.333 20 30 CGEDMO Cc1ccc([C@@H]2CC[N@@H+](C[C@H](O)CC3(C#N)CC3)C2)c(C)c1 ZINC000528485120 375903651 /nfs/dbraw/zinc/90/36/51/375903651.db2.gz KBLCKUSTFNWSJX-IAGOWNOFSA-N 1 1 298.430 3.148 20 30 CGEDMO C=CCNC(=O)C[N@H+](CC(C)C)[C@H](CC)c1ccccc1 ZINC000533522654 375955755 /nfs/dbraw/zinc/95/57/55/375955755.db2.gz GRPOJSUJLUYFCU-QGZVFWFLSA-N 1 1 288.435 3.398 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)CC1(O)CCCC1 ZINC000533463058 375955861 /nfs/dbraw/zinc/95/58/61/375955861.db2.gz KLMZIPYMZXRJRE-UHFFFAOYSA-N 1 1 259.393 3.022 20 30 CGEDMO C[C@H](C#N)C[N@H+](Cc1ccc2cc[nH]c2c1)C1CC1 ZINC000529527742 375927769 /nfs/dbraw/zinc/92/77/69/375927769.db2.gz BVHIGYZEBVZJIW-GFCCVEGCSA-N 1 1 253.349 3.292 20 30 CGEDMO C[C@H](C#N)C[N@@H+](Cc1ccc2cc[nH]c2c1)C1CC1 ZINC000529527742 375927773 /nfs/dbraw/zinc/92/77/73/375927773.db2.gz BVHIGYZEBVZJIW-GFCCVEGCSA-N 1 1 253.349 3.292 20 30 CGEDMO CCC(CC)[N@@H+](CCCC1(C#N)CCOCC1)CCOC ZINC000337146059 376099872 /nfs/dbraw/zinc/09/98/72/376099872.db2.gz XZOLTYWINQUFGV-UHFFFAOYSA-N 1 1 296.455 3.224 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2c2ccc(C)c(C)c2)C1=O ZINC000337145226 376100627 /nfs/dbraw/zinc/10/06/27/376100627.db2.gz XGSFCUQWOCXQSO-MSOLQXFVSA-N 1 1 298.430 3.227 20 30 CGEDMO C[C@H]([N@@H+](C)CCCC1(C#N)CCOCC1)C1(C)CC1 ZINC000337174193 376114487 /nfs/dbraw/zinc/11/44/87/376114487.db2.gz HQUKWKYTZBSKLW-AWEZNQCLSA-N 1 1 264.413 3.207 20 30 CGEDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000195669923 376116809 /nfs/dbraw/zinc/11/68/09/376116809.db2.gz XTIJREVRJKKELY-PBHICJAKSA-N 1 1 299.418 3.397 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCC2(C#N)CCOCC2)CC(C)(C)C1 ZINC000337202370 376132680 /nfs/dbraw/zinc/13/26/80/376132680.db2.gz GUXLVURMNBHRFY-HNNXBMFYSA-N 1 1 278.440 3.455 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000539827669 376337116 /nfs/dbraw/zinc/33/71/16/376337116.db2.gz QGHQOKVMOFNGPR-IYBDPMFKSA-N 1 1 257.377 3.483 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000539388889 376306475 /nfs/dbraw/zinc/30/64/75/376306475.db2.gz YSTHSSNXEWDJMB-OWCLPIDISA-N 1 1 295.471 3.151 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000338546105 376419332 /nfs/dbraw/zinc/41/93/32/376419332.db2.gz KTESQAKOFHEQPV-ZIAGYGMSSA-N 1 1 286.202 3.459 20 30 CGEDMO C=C(CC)C[N@@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000540201773 376365898 /nfs/dbraw/zinc/36/58/98/376365898.db2.gz GJFPNGCGAGLQSX-HNNXBMFYSA-N 1 1 292.810 3.343 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccc(F)cc2)c1 ZINC000334286099 206310173 /nfs/dbraw/zinc/31/01/73/206310173.db2.gz BZRXDPSFMDAIMC-ROUUACIJSA-N 1 1 296.345 3.005 20 30 CGEDMO N#Cc1cccc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccc(F)cc2)c1 ZINC000334286099 206310176 /nfs/dbraw/zinc/31/01/76/206310176.db2.gz BZRXDPSFMDAIMC-ROUUACIJSA-N 1 1 296.345 3.005 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CCC3(C2)CCCCC3)n1 ZINC000334327590 206375373 /nfs/dbraw/zinc/37/53/73/206375373.db2.gz CBNZKXZOQZQVIX-UHFFFAOYSA-N 1 1 261.394 3.171 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC3(C2)CCCCC3)n1 ZINC000334327590 206375375 /nfs/dbraw/zinc/37/53/75/206375375.db2.gz CBNZKXZOQZQVIX-UHFFFAOYSA-N 1 1 261.394 3.171 20 30 CGEDMO CC[N@H+](C/C=C/c1ccc(F)cc1F)C[C@@H](C)C#N ZINC000542705090 376573031 /nfs/dbraw/zinc/57/30/31/376573031.db2.gz OGETXQMCNGVTTR-ITKZLYELSA-N 1 1 264.319 3.460 20 30 CGEDMO CC[N@@H+](C/C=C/c1ccc(F)cc1F)C[C@@H](C)C#N ZINC000542705090 376573040 /nfs/dbraw/zinc/57/30/40/376573040.db2.gz OGETXQMCNGVTTR-ITKZLYELSA-N 1 1 264.319 3.460 20 30 CGEDMO C[C@@H]1CC[C@H]([N@@H+](C)CCOc2cccc(C#N)c2)C1 ZINC000338995608 376618870 /nfs/dbraw/zinc/61/88/70/376618870.db2.gz NIOOTHBLDGYWOM-HIFRSBDPSA-N 1 1 258.365 3.057 20 30 CGEDMO COC[C@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000234729513 376620674 /nfs/dbraw/zinc/62/06/74/376620674.db2.gz XNCNFYGLKAPZCP-AWEZNQCLSA-N 1 1 252.402 3.065 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cc(Cl)cc2c1OCC2 ZINC000543987137 376689565 /nfs/dbraw/zinc/68/95/65/376689565.db2.gz WEWUPMWNOCROIK-UHFFFAOYSA-N 1 1 263.768 3.449 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000237845699 376763390 /nfs/dbraw/zinc/76/33/90/376763390.db2.gz UICZRJIJIVNDMX-GOSISDBHSA-N 1 1 277.371 3.245 20 30 CGEDMO C[C@H]1C[N@@H+](CCCSCC#N)C[C@@H](c2ccccc2)O1 ZINC000245494207 376830044 /nfs/dbraw/zinc/83/00/44/376830044.db2.gz NAKJXJNCIKQDSH-HOCLYGCPSA-N 1 1 290.432 3.095 20 30 CGEDMO N#CCCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245768025 376904712 /nfs/dbraw/zinc/90/47/12/376904712.db2.gz WULGPUKEXMVQQY-LDLYASANSA-N 1 1 297.446 3.465 20 30 CGEDMO N#CCCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245768025 376904719 /nfs/dbraw/zinc/90/47/19/376904719.db2.gz WULGPUKEXMVQQY-LDLYASANSA-N 1 1 297.446 3.465 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@H]1C ZINC000245850333 376918777 /nfs/dbraw/zinc/91/87/77/376918777.db2.gz CTVOLWYFGVHANG-CHWSQXEVSA-N 1 1 296.374 3.086 20 30 CGEDMO CC1(C[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000340278510 376976665 /nfs/dbraw/zinc/97/66/65/376976665.db2.gz LUDQEFMWLNHHDZ-UHFFFAOYSA-N 1 1 297.446 3.256 20 30 CGEDMO COC(=O)c1cccc(C[N@@H+](CC2CC2)C2CCC2)c1C#N ZINC000558828924 377047736 /nfs/dbraw/zinc/04/77/36/377047736.db2.gz CPMMQRNIIZGZIG-UHFFFAOYSA-N 1 1 298.386 3.109 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000246311360 377008596 /nfs/dbraw/zinc/00/85/96/377008596.db2.gz BVESDDUGBNVLOV-CXAGYDPISA-N 1 1 282.343 3.286 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000246311360 377008600 /nfs/dbraw/zinc/00/86/00/377008600.db2.gz BVESDDUGBNVLOV-CXAGYDPISA-N 1 1 282.343 3.286 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000247636745 377228866 /nfs/dbraw/zinc/22/88/66/377228866.db2.gz VGHOFARZSGAICO-BHYGNILZSA-N 1 1 291.460 3.492 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)[C@@H](CC)c1ccccc1OC ZINC000561955145 377254340 /nfs/dbraw/zinc/25/43/40/377254340.db2.gz JKPBDGZAPPNVEG-ZBFHGGJFSA-N 1 1 277.408 3.405 20 30 CGEDMO COc1ccc(OCC[N@@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000248125477 377270387 /nfs/dbraw/zinc/27/03/87/377270387.db2.gz FLWJPKMBXBIARY-UHFFFAOYSA-N 1 1 296.370 3.078 20 30 CGEDMO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2cccc(C#N)c2F)C1(C)C ZINC000340887183 377305505 /nfs/dbraw/zinc/30/55/05/377305505.db2.gz ZCZQLOMINSOHMP-YOEHRIQHSA-N 1 1 290.382 3.333 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000249455475 377505793 /nfs/dbraw/zinc/50/57/93/377505793.db2.gz NLHGVHQSJBSUBY-QWHCGFSZSA-N 1 1 258.365 3.119 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nc(C)c2ccccc2n1 ZINC000566538490 377499113 /nfs/dbraw/zinc/49/91/13/377499113.db2.gz MDFWXTBSTVOFNC-CQSZACIVSA-N 1 1 267.376 3.479 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nc(C)c2ccccc2n1 ZINC000566538490 377499122 /nfs/dbraw/zinc/49/91/22/377499122.db2.gz MDFWXTBSTVOFNC-CQSZACIVSA-N 1 1 267.376 3.479 20 30 CGEDMO Cc1cccc(CC[N@@H+](CCC#N)CCC(C)C)n1 ZINC000567729182 377510062 /nfs/dbraw/zinc/51/00/62/377510062.db2.gz PAONHUQFHKHWSD-UHFFFAOYSA-N 1 1 259.397 3.194 20 30 CGEDMO Cc1cccc(CC[N@H+](CCC#N)CCC(C)C)n1 ZINC000567729182 377510067 /nfs/dbraw/zinc/51/00/67/377510067.db2.gz PAONHUQFHKHWSD-UHFFFAOYSA-N 1 1 259.397 3.194 20 30 CGEDMO N#CCCC1CC[NH+](Cc2nccn2-c2ccccc2)CC1 ZINC000567789978 377510348 /nfs/dbraw/zinc/51/03/48/377510348.db2.gz JVZWECSOOMQJGB-UHFFFAOYSA-N 1 1 294.402 3.388 20 30 CGEDMO CC[C@H]([NH2+]Cc1cc(C#N)cs1)c1nccs1 ZINC000093492677 249037614 /nfs/dbraw/zinc/03/76/14/249037614.db2.gz SKRBUEVRSPKBGJ-NSHDSACASA-N 1 1 263.391 3.317 20 30 CGEDMO C[C@H]([N@@H+](C)CCOc1ccc(C#N)cc1)C1(C)CC1 ZINC000177219035 249053042 /nfs/dbraw/zinc/05/30/42/249053042.db2.gz ILLDYQUXCGAVNA-ZDUSSCGKSA-N 1 1 258.365 3.057 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H](CNc2ncc(C#N)cc2Cl)C1 ZINC000265128945 190159703 /nfs/dbraw/zinc/15/97/03/190159703.db2.gz MKKAGKUMYDCCED-LBPRGKRZSA-N 1 1 292.814 3.139 20 30 CGEDMO C=CC[N@@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000168442326 542177348 /nfs/dbraw/zinc/17/73/48/542177348.db2.gz VWWVZLYYZSCJHG-UHFFFAOYSA-N 1 1 256.374 3.354 20 30 CGEDMO C=CC[N@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000168442326 542177349 /nfs/dbraw/zinc/17/73/49/542177349.db2.gz VWWVZLYYZSCJHG-UHFFFAOYSA-N 1 1 256.374 3.354 20 30 CGEDMO C=CCN(C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000177101233 542191056 /nfs/dbraw/zinc/19/10/56/542191056.db2.gz WMTQQXKDSNUOAS-GASCZTMLSA-N 1 1 272.392 3.078 20 30 CGEDMO CC[N@@H+](Cc1cc(C#N)n(C)c1)Cc1ccc(C)cc1 ZINC000516902242 249248362 /nfs/dbraw/zinc/24/83/62/249248362.db2.gz SPCKXNMWWKZCSH-UHFFFAOYSA-N 1 1 267.376 3.227 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H](O)COc1ccc2ccccc2c1 ZINC000181311158 542218874 /nfs/dbraw/zinc/21/88/74/542218874.db2.gz FVBDOSGLIXUDRW-KRWDZBQOSA-N 1 1 285.387 3.087 20 30 CGEDMO C[C@]1(Cc2ccccc2)CCC[N@H+]1CC1(C#N)CC1 ZINC000342678837 377728457 /nfs/dbraw/zinc/72/84/57/377728457.db2.gz LIRFKNQKIVZSLY-MRXNPFEDSA-N 1 1 254.377 3.387 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)C[C@H]1CCCOC1 ZINC000342684259 377733755 /nfs/dbraw/zinc/73/37/55/377733755.db2.gz TZTAIYXTETVCGM-CYBMUJFWSA-N 1 1 251.395 3.163 20 30 CGEDMO C=CCC[N@@H+](C)Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000342716281 377752239 /nfs/dbraw/zinc/75/22/39/377752239.db2.gz BXVJEDOQBXKKDV-UHFFFAOYSA-N 1 1 294.761 3.068 20 30 CGEDMO C=CCC[N@H+](C)Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000342716281 377752244 /nfs/dbraw/zinc/75/22/44/377752244.db2.gz BXVJEDOQBXKKDV-UHFFFAOYSA-N 1 1 294.761 3.068 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(OCC)c(OCC)c1 ZINC000342719390 377753342 /nfs/dbraw/zinc/75/33/42/377753342.db2.gz IVAYTKQMDSOIEY-UHFFFAOYSA-N 1 1 263.381 3.492 20 30 CGEDMO C=CCC[N@H+](C)Cc1nnc(-c2ccc(C)cc2)o1 ZINC000342724357 377756536 /nfs/dbraw/zinc/75/65/36/377756536.db2.gz PNLATWDZZCTBMM-UHFFFAOYSA-N 1 1 257.337 3.053 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000342743084 377768123 /nfs/dbraw/zinc/76/81/23/377768123.db2.gz YGXFHSAAUYCPFW-AWEZNQCLSA-N 1 1 296.773 3.092 20 30 CGEDMO C=CC[N@H+](Cc1cnc(N)s1)CC1CCCCC1 ZINC000262000980 377878873 /nfs/dbraw/zinc/87/88/73/377878873.db2.gz LHPYYHARSRCTMQ-UHFFFAOYSA-N 1 1 265.426 3.294 20 30 CGEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)CC1(C#N)CC1 ZINC000343315434 377950841 /nfs/dbraw/zinc/95/08/41/377950841.db2.gz QEYQDVXJXIAPTG-UHFFFAOYSA-N 1 1 253.349 3.072 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)CC1(C#N)CC1 ZINC000343315434 377950846 /nfs/dbraw/zinc/95/08/46/377950846.db2.gz QEYQDVXJXIAPTG-UHFFFAOYSA-N 1 1 253.349 3.072 20 30 CGEDMO C[N@@H+](Cc1ccccc1)CC1CCN(CC2(C#N)CC2)CC1 ZINC000343322611 377953353 /nfs/dbraw/zinc/95/33/53/377953353.db2.gz RFXLDDNBLOXQAB-UHFFFAOYSA-N 1 1 297.446 3.134 20 30 CGEDMO C[N@H+](Cc1ccccc1)CC1CCN(CC2(C#N)CC2)CC1 ZINC000343322611 377953358 /nfs/dbraw/zinc/95/33/58/377953358.db2.gz RFXLDDNBLOXQAB-UHFFFAOYSA-N 1 1 297.446 3.134 20 30 CGEDMO N#CCCCC[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000265648198 378007257 /nfs/dbraw/zinc/00/72/57/378007257.db2.gz MUCAMQCOWWWKMR-UHFFFAOYSA-N 1 1 280.375 3.346 20 30 CGEDMO CN(CC[N@@H+](C)Cc1ccc(CC#N)cc1)c1ccccc1 ZINC000343532293 378011435 /nfs/dbraw/zinc/01/14/35/378011435.db2.gz POBPFKASPOPFFX-UHFFFAOYSA-N 1 1 293.414 3.321 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(OCC(F)F)cc1 ZINC000343460688 377987016 /nfs/dbraw/zinc/98/70/16/377987016.db2.gz FRSDVXNSPXUEHO-UHFFFAOYSA-N 1 1 255.308 3.338 20 30 CGEDMO C=CCCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000343498105 377996551 /nfs/dbraw/zinc/99/65/51/377996551.db2.gz ACXXWKRZJQWBOP-ZBFHGGJFSA-N 1 1 278.440 3.254 20 30 CGEDMO CC(C)Oc1cccc([C@H](C)[NH2+]CC2(C#N)CC2)c1 ZINC000343586271 378028645 /nfs/dbraw/zinc/02/86/45/378028645.db2.gz ZDGPOQLVLLHRRO-ZDUSSCGKSA-N 1 1 258.365 3.428 20 30 CGEDMO C=CCCCC[N@@H+]1CCn2c(nnc2-c2ccccc2)C1 ZINC000578113852 378037787 /nfs/dbraw/zinc/03/77/87/378037787.db2.gz SUCIFQZPZWZKCS-UHFFFAOYSA-N 1 1 282.391 3.117 20 30 CGEDMO C=CCCCC[N@H+]1CCn2c(nnc2-c2ccccc2)C1 ZINC000578113852 378037789 /nfs/dbraw/zinc/03/77/89/378037789.db2.gz SUCIFQZPZWZKCS-UHFFFAOYSA-N 1 1 282.391 3.117 20 30 CGEDMO N#CCC[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000267448311 378039545 /nfs/dbraw/zinc/03/95/45/378039545.db2.gz LCWCEBPSKKTXHS-ZIAGYGMSSA-N 1 1 278.421 3.330 20 30 CGEDMO N#CCC[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000267448311 378039551 /nfs/dbraw/zinc/03/95/51/378039551.db2.gz LCWCEBPSKKTXHS-ZIAGYGMSSA-N 1 1 278.421 3.330 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCCO[C@@H](CC)C2)cc1 ZINC000343654869 378054645 /nfs/dbraw/zinc/05/46/45/378054645.db2.gz IATRAEMVCVYMFW-INIZCTEOSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CCOc1ccccc1C[N@H+](C)CCCSC ZINC000343653969 378054945 /nfs/dbraw/zinc/05/49/45/378054945.db2.gz GWPHCMKXYNSWRW-UHFFFAOYSA-N 1 1 265.422 3.436 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000268585964 378077642 /nfs/dbraw/zinc/07/76/42/378077642.db2.gz UQYRBKFAOSFCNF-CABCVRRESA-N 1 1 265.784 3.414 20 30 CGEDMO N#CCSCCC[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000266777855 378025627 /nfs/dbraw/zinc/02/56/27/378025627.db2.gz XDGACFFVGVAXQA-CQSZACIVSA-N 1 1 278.396 3.262 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@H](C(C)(C)C)C[C@@H]1C ZINC000578902637 378112303 /nfs/dbraw/zinc/11/23/03/378112303.db2.gz UCBXBMVYZKBLPY-KKUMJFAQSA-N 1 1 253.430 3.460 20 30 CGEDMO CC[N@H+](C/C=C/c1ccc(F)c(F)c1)C[C@H](C)C#N ZINC000578918703 378113811 /nfs/dbraw/zinc/11/38/11/378113811.db2.gz LBKCTOUXMOLBRY-ZYOFXKKJSA-N 1 1 264.319 3.460 20 30 CGEDMO CC[N@@H+](C/C=C/c1ccc(F)c(F)c1)C[C@H](C)C#N ZINC000578918703 378113818 /nfs/dbraw/zinc/11/38/18/378113818.db2.gz LBKCTOUXMOLBRY-ZYOFXKKJSA-N 1 1 264.319 3.460 20 30 CGEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)CCC(C)(C)C ZINC000579283517 378146082 /nfs/dbraw/zinc/14/60/82/378146082.db2.gz KCSWNXNUQAGLGY-UHFFFAOYSA-N 1 1 274.408 3.443 20 30 CGEDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000268736504 378098719 /nfs/dbraw/zinc/09/87/19/378098719.db2.gz YKRNTMIBCHFVAC-QCSYZSNVSA-N 1 1 284.403 3.245 20 30 CGEDMO C[C@@H]1CCCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000583847259 378351878 /nfs/dbraw/zinc/35/18/78/378351878.db2.gz NDOZQWURVDEWRB-CYBMUJFWSA-N 1 1 296.374 3.230 20 30 CGEDMO COc1c(C)c[nH+]c(CN(C)[C@H](C#N)c2ccccc2)c1C ZINC000595508772 378402462 /nfs/dbraw/zinc/40/24/62/378402462.db2.gz KWQINUXJYXAYPW-QGZVFWFLSA-N 1 1 295.386 3.404 20 30 CGEDMO CCN(CC)C[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000346130344 378473930 /nfs/dbraw/zinc/47/39/30/378473930.db2.gz MDFXZTCCFQQJLN-CHWSQXEVSA-N 1 1 277.387 3.078 20 30 CGEDMO C[C@@H]([NH2+]Cc1cn2ccccc2n1)c1ccc(C#N)c(F)c1 ZINC000346067977 378454941 /nfs/dbraw/zinc/45/49/41/378454941.db2.gz LNXXSFANKUNJGE-GFCCVEGCSA-N 1 1 294.333 3.196 20 30 CGEDMO Cc1n[nH]c(C)c1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000271050047 378439974 /nfs/dbraw/zinc/43/99/74/378439974.db2.gz OYSXEPWFTVLWHO-UHFFFAOYSA-N 1 1 280.375 3.063 20 30 CGEDMO N#CCOc1ccc(C[N@@H+](Cc2cccnc2)C2CC2)cc1 ZINC000271352870 378489202 /nfs/dbraw/zinc/48/92/02/378489202.db2.gz JVSUQHVVBRZTSV-UHFFFAOYSA-N 1 1 293.370 3.149 20 30 CGEDMO C=C(C)CN(CC)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000637368968 378490708 /nfs/dbraw/zinc/49/07/08/378490708.db2.gz CWLOQVHDFYQVTE-INIZCTEOSA-N 1 1 293.455 3.001 20 30 CGEDMO C[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccc(C#N)c(F)c1 ZINC000271925521 378519505 /nfs/dbraw/zinc/51/95/05/378519505.db2.gz GHGINQSDIKWGHO-MEBBXXQBSA-N 1 1 284.338 3.149 20 30 CGEDMO C[C@@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1ccc(C#N)c(F)c1 ZINC000271925521 378519510 /nfs/dbraw/zinc/51/95/10/378519510.db2.gz GHGINQSDIKWGHO-MEBBXXQBSA-N 1 1 284.338 3.149 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](COc3ccccc3)C2)c1 ZINC000272644139 378682867 /nfs/dbraw/zinc/68/28/67/378682867.db2.gz YBFKKZXWXXEUAK-GOSISDBHSA-N 1 1 292.382 3.459 20 30 CGEDMO C=CCOCCC[N@@H+]1[C@H](c2ccccc2)COC[C@@H]1C ZINC000348028981 378757990 /nfs/dbraw/zinc/75/79/90/378757990.db2.gz HCLWREDDEDFULA-RDJZCZTQSA-N 1 1 275.392 3.041 20 30 CGEDMO Fc1ccc(C#CC[N@@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000346981230 378702146 /nfs/dbraw/zinc/70/21/46/378702146.db2.gz NHKGNWZPKWQOIO-SFHVURJKSA-N 1 1 280.346 3.409 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000346981230 378702153 /nfs/dbraw/zinc/70/21/53/378702153.db2.gz NHKGNWZPKWQOIO-SFHVURJKSA-N 1 1 280.346 3.409 20 30 CGEDMO C=C(Cl)CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000272919095 378722377 /nfs/dbraw/zinc/72/23/77/378722377.db2.gz RKHXXWOMAUKAGR-ZBFHGGJFSA-N 1 1 278.827 3.382 20 30 CGEDMO C=CCOCCC[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000348040974 378763663 /nfs/dbraw/zinc/76/36/63/378763663.db2.gz WAQRAXYKPBRZJW-KRWDZBQOSA-N 1 1 275.392 3.123 20 30 CGEDMO C=CCOCCC[N@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000348044411 378764993 /nfs/dbraw/zinc/76/49/93/378764993.db2.gz HNVQZJFQCCIYRB-HIFRSBDPSA-N 1 1 281.421 3.103 20 30 CGEDMO C=CCOCCC[N@@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000348044411 378765003 /nfs/dbraw/zinc/76/50/03/378765003.db2.gz HNVQZJFQCCIYRB-HIFRSBDPSA-N 1 1 281.421 3.103 20 30 CGEDMO C=CCOCCC[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000348031674 378759996 /nfs/dbraw/zinc/75/99/96/378759996.db2.gz KEEDYLTWHGHXEE-MSOLQXFVSA-N 1 1 284.403 3.351 20 30 CGEDMO C=C(C)CC[N@@H+]1CCO[C@H](c2cccc(OC)c2)C1 ZINC000274754956 378889303 /nfs/dbraw/zinc/88/93/03/378889303.db2.gz CBCRGMCBYGGMCW-INIZCTEOSA-N 1 1 261.365 3.035 20 30 CGEDMO C=C(C)CC[N@H+]1CCO[C@H](c2cccc(OC)c2)C1 ZINC000274754956 378889305 /nfs/dbraw/zinc/88/93/05/378889305.db2.gz CBCRGMCBYGGMCW-INIZCTEOSA-N 1 1 261.365 3.035 20 30 CGEDMO C=CCC[C@@H](C(=O)NCCn1cc[nH+]c1C)c1ccccc1 ZINC000275207424 378948289 /nfs/dbraw/zinc/94/82/89/378948289.db2.gz BUUVNTPKMWUZAJ-QGZVFWFLSA-N 1 1 297.402 3.058 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1c1nc(C(=O)OCC)cs1 ZINC000276742199 378990450 /nfs/dbraw/zinc/99/04/50/378990450.db2.gz GFLJKQFCNMYIIA-ZDUSSCGKSA-N 1 1 294.420 3.423 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]1c1nc(C(=O)OCC)cs1 ZINC000276742199 378990460 /nfs/dbraw/zinc/99/04/60/378990460.db2.gz GFLJKQFCNMYIIA-ZDUSSCGKSA-N 1 1 294.420 3.423 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1C#N ZINC000276740408 378990475 /nfs/dbraw/zinc/99/04/75/378990475.db2.gz IUPHSKYBBRIOAA-QGZVFWFLSA-N 1 1 283.350 3.373 20 30 CGEDMO N#Cc1ccccc1OCC[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000370290841 379003076 /nfs/dbraw/zinc/00/30/76/379003076.db2.gz XCGRCFHWHGCHGG-OAHLLOKOSA-N 1 1 282.343 3.020 20 30 CGEDMO COc1cc(C#N)ccc1C[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000347233583 218164467 /nfs/dbraw/zinc/16/44/67/218164467.db2.gz MCQOSEAHGNJIGB-UHFFFAOYSA-N 1 1 296.345 3.485 20 30 CGEDMO C=CC[C@H]1[N@H+](Cc2cnc3cnccn23)CCCC1(C)C ZINC000278736297 194129384 /nfs/dbraw/zinc/12/93/84/194129384.db2.gz QXYLDBIFXJYWFO-OAHLLOKOSA-N 1 1 284.407 3.296 20 30 CGEDMO C=C(Cl)CN1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278768061 194147845 /nfs/dbraw/zinc/14/78/45/194147845.db2.gz CDWYUPHESOMOET-UHFFFAOYSA-N 1 1 279.815 3.151 20 30 CGEDMO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCN2C2CCCCC2)C1 ZINC000373894595 379346831 /nfs/dbraw/zinc/34/68/31/379346831.db2.gz XMSIHABTZRSGJN-NUJGCVRESA-N 1 1 289.467 3.455 20 30 CGEDMO N#C[C@@H]1CCC[C@@H](NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000373894595 379346834 /nfs/dbraw/zinc/34/68/34/379346834.db2.gz XMSIHABTZRSGJN-NUJGCVRESA-N 1 1 289.467 3.455 20 30 CGEDMO N#C[C@@H]1CCC[C@@H](NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000373894595 379346838 /nfs/dbraw/zinc/34/68/38/379346838.db2.gz XMSIHABTZRSGJN-NUJGCVRESA-N 1 1 289.467 3.455 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](CC)CCOC)cc1Cl ZINC000349852063 379421044 /nfs/dbraw/zinc/42/10/44/379421044.db2.gz ABDQMOIEYVNNLF-UHFFFAOYSA-N 1 1 283.799 3.373 20 30 CGEDMO C=CCOc1ccc(C[N@H+](CCO)C(C)C)cc1Cl ZINC000350079518 379498910 /nfs/dbraw/zinc/49/89/10/379498910.db2.gz MRTDMFJWSXJRLA-UHFFFAOYSA-N 1 1 283.799 3.108 20 30 CGEDMO N#CCCCC[N@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000374815108 379479139 /nfs/dbraw/zinc/47/91/39/379479139.db2.gz NSLVIMKWJVICHU-OAHLLOKOSA-N 1 1 264.319 3.390 20 30 CGEDMO N#CCCCC[N@@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000374815108 379479146 /nfs/dbraw/zinc/47/91/46/379479146.db2.gz NSLVIMKWJVICHU-OAHLLOKOSA-N 1 1 264.319 3.390 20 30 CGEDMO C[C@@H]1C[C@@H](N2CCCC2)C[N@@H+]1CCCCC(C)(C)C#N ZINC000375760299 379509131 /nfs/dbraw/zinc/50/91/31/379509131.db2.gz FLOLYQFPFWPSIK-HZPDHXFCSA-N 1 1 277.456 3.265 20 30 CGEDMO C[C@@H]1C[C@@H](N2CCCC2)C[N@H+]1CCCCC(C)(C)C#N ZINC000375760299 379509137 /nfs/dbraw/zinc/50/91/37/379509137.db2.gz FLOLYQFPFWPSIK-HZPDHXFCSA-N 1 1 277.456 3.265 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2ncnn2C(C)C)CCCC1(C)C ZINC000279773355 379511533 /nfs/dbraw/zinc/51/15/33/379511533.db2.gz TULCEVLGKLSFOT-AWEZNQCLSA-N 1 1 276.428 3.426 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@H](n2ccnn2)CC1 ZINC000639818249 379598933 /nfs/dbraw/zinc/59/89/33/379598933.db2.gz NXSRKZZDZGMITB-HNNXBMFYSA-N 1 1 262.401 3.052 20 30 CGEDMO C[C@@H]1c2nnc(C3CCCC3)n2CC[N@H+]1CCCCC#N ZINC000376532114 379574291 /nfs/dbraw/zinc/57/42/91/379574291.db2.gz RDOFBEVVTOMNTL-CYBMUJFWSA-N 1 1 287.411 3.006 20 30 CGEDMO C[C@@H]1c2nnc(C3CCCC3)n2CC[N@@H+]1CCCCC#N ZINC000376532114 379574303 /nfs/dbraw/zinc/57/43/03/379574303.db2.gz RDOFBEVVTOMNTL-CYBMUJFWSA-N 1 1 287.411 3.006 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+]1CCc2ccc(C(F)(F)F)cc2C1 ZINC000639911382 379640833 /nfs/dbraw/zinc/64/08/33/379640833.db2.gz ZXBUPEHFIGFDAK-AWEZNQCLSA-N 1 1 285.309 3.001 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CCc2ccc(C(F)(F)F)cc2C1 ZINC000639911382 379640836 /nfs/dbraw/zinc/64/08/36/379640836.db2.gz ZXBUPEHFIGFDAK-AWEZNQCLSA-N 1 1 285.309 3.001 20 30 CGEDMO C=C(C)CC[N@H+]1CCc2c(ccc(OC)c2OC)C1 ZINC000351732342 379742560 /nfs/dbraw/zinc/74/25/60/379742560.db2.gz QIGNXAQHFZVUBD-UHFFFAOYSA-N 1 1 261.365 3.028 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000351845252 379745540 /nfs/dbraw/zinc/74/55/40/379745540.db2.gz RBKNMGANWQECRA-OAHLLOKOSA-N 1 1 288.439 3.150 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000351845251 379746078 /nfs/dbraw/zinc/74/60/78/379746078.db2.gz RBKNMGANWQECRA-HNNXBMFYSA-N 1 1 288.439 3.150 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CCCOC1 ZINC000352194486 379754029 /nfs/dbraw/zinc/75/40/29/379754029.db2.gz KDZGIJMEFPTRKX-HNNXBMFYSA-N 1 1 297.320 3.168 20 30 CGEDMO N#Cc1ccc(N2CC[NH+](CCCCF)CC2)c(Cl)c1 ZINC000352403581 379797644 /nfs/dbraw/zinc/79/76/44/379797644.db2.gz WQLVCHAESVSRCY-UHFFFAOYSA-N 1 1 295.789 3.083 20 30 CGEDMO CCn1cccc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000267431871 190329957 /nfs/dbraw/zinc/32/99/57/190329957.db2.gz OBDSMHQYEVFMAL-UHFFFAOYSA-N 1 1 253.349 3.012 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000378637390 379851122 /nfs/dbraw/zinc/85/11/22/379851122.db2.gz NCHVNHMFWVKZHO-MRXNPFEDSA-N 1 1 277.371 3.018 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000378358999 379811759 /nfs/dbraw/zinc/81/17/59/379811759.db2.gz FWJZRHGULDCJGJ-OAHLLOKOSA-N 1 1 282.343 3.149 20 30 CGEDMO COc1cc(C[N@@H+](C)[C@@H](C)c2ccccn2)ccc1C#N ZINC000282175497 379867440 /nfs/dbraw/zinc/86/74/40/379867440.db2.gz FIHCKQBBFMVEFX-ZDUSSCGKSA-N 1 1 281.359 3.155 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@@H]1OCCc2ccccc21 ZINC000352671292 379902537 /nfs/dbraw/zinc/90/25/37/379902537.db2.gz MQRCXHLJSNPHIS-KRWDZBQOSA-N 1 1 298.411 3.366 20 30 CGEDMO CC#CC[NH2+]C(C)(C)c1ccccc1Br ZINC000390003056 379904544 /nfs/dbraw/zinc/90/45/44/379904544.db2.gz UYNNFUWHMOJTDF-UHFFFAOYSA-N 1 1 266.182 3.297 20 30 CGEDMO C=CCCC[C@H](C)n1cc(C[NH2+]Cc2ccccc2)nn1 ZINC000641234274 379969035 /nfs/dbraw/zinc/96/90/35/379969035.db2.gz FDSRRFDKAFNDDX-HNNXBMFYSA-N 1 1 284.407 3.485 20 30 CGEDMO CSCc1cccc(C[NH2+]Cc2nc(C#N)cs2)c1 ZINC000352844802 380000794 /nfs/dbraw/zinc/00/07/94/380000794.db2.gz GRVXFDNVVOHQIA-UHFFFAOYSA-N 1 1 289.429 3.168 20 30 CGEDMO CC(C)[N@H+]1CCCN(CCC2(C#N)CCCCC2)CC1 ZINC000411213167 380136677 /nfs/dbraw/zinc/13/66/77/380136677.db2.gz CALXWAVUPZYWRL-UHFFFAOYSA-N 1 1 277.456 3.267 20 30 CGEDMO CCC(CC)C[N@H+](CCC#N)CCc1cncs1 ZINC000411308955 380138954 /nfs/dbraw/zinc/13/89/54/380138954.db2.gz PZIILIFLTOPKAL-UHFFFAOYSA-N 1 1 265.426 3.337 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)CCc1cncs1 ZINC000411308955 380138963 /nfs/dbraw/zinc/13/89/63/380138963.db2.gz PZIILIFLTOPKAL-UHFFFAOYSA-N 1 1 265.426 3.337 20 30 CGEDMO CC[C@H]1CN([C@H](C)CCC#N)CC[N@H+]1Cc1ccccc1 ZINC000411522359 380149289 /nfs/dbraw/zinc/14/92/89/380149289.db2.gz ALGHUKKJVRDLPH-AEFFLSMTSA-N 1 1 285.435 3.275 20 30 CGEDMO CC[C@H]1C[N@@H+]([C@H](C)CCC#N)CCN1Cc1ccccc1 ZINC000411522359 380149296 /nfs/dbraw/zinc/14/92/96/380149296.db2.gz ALGHUKKJVRDLPH-AEFFLSMTSA-N 1 1 285.435 3.275 20 30 CGEDMO CC[C@H]1C[N@H+]([C@H](C)CCC#N)CCN1Cc1ccccc1 ZINC000411522359 380149302 /nfs/dbraw/zinc/14/93/02/380149302.db2.gz ALGHUKKJVRDLPH-AEFFLSMTSA-N 1 1 285.435 3.275 20 30 CGEDMO COc1ccc(C[C@@H](C)C[N@@H+](C)[C@H](C)CCC#N)cc1 ZINC000411415492 380144484 /nfs/dbraw/zinc/14/44/84/380144484.db2.gz NODADNPYLQWBNJ-HUUCEWRRSA-N 1 1 274.408 3.498 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1ccc(-c2ncco2)cc1F ZINC000411491027 380149588 /nfs/dbraw/zinc/14/95/88/380149588.db2.gz URICZFYGSSPKTA-UHFFFAOYSA-N 1 1 260.312 3.489 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(-c2ncco2)cc1F ZINC000411491027 380149592 /nfs/dbraw/zinc/14/95/92/380149592.db2.gz URICZFYGSSPKTA-UHFFFAOYSA-N 1 1 260.312 3.489 20 30 CGEDMO C[C@H]([NH2+]CCC#N)c1ccc(-c2ccncc2)cc1 ZINC000411473004 380146292 /nfs/dbraw/zinc/14/62/92/380146292.db2.gz JETRIYWBRPQQGT-ZDUSSCGKSA-N 1 1 251.333 3.313 20 30 CGEDMO C[C@@H](CCC#N)[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000411430678 380147164 /nfs/dbraw/zinc/14/71/64/380147164.db2.gz WCQHIVFKAMOTTB-NSHDSACASA-N 1 1 271.389 3.388 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)N[C@@H](C)CCC ZINC000411142439 380132223 /nfs/dbraw/zinc/13/22/23/380132223.db2.gz WQYDTKXXZFILDU-KBPBESRZSA-N 1 1 294.464 3.429 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)N[C@@H](C)CCC ZINC000411142439 380132226 /nfs/dbraw/zinc/13/22/26/380132226.db2.gz WQYDTKXXZFILDU-KBPBESRZSA-N 1 1 294.464 3.429 20 30 CGEDMO CCC[N@@H+](CC1CCCCC1)[C@H](C)C(=O)N(C)CCC#N ZINC000411185216 380134631 /nfs/dbraw/zinc/13/46/31/380134631.db2.gz HIQFQKQDMAUPPT-OAHLLOKOSA-N 1 1 293.455 3.039 20 30 CGEDMO COC[C@H]([NH2+]CCC1(C#N)CCCCC1)c1ccco1 ZINC000411515715 380150030 /nfs/dbraw/zinc/15/00/30/380150030.db2.gz WDCIVRFVNGMGLX-AWEZNQCLSA-N 1 1 276.380 3.421 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000411546567 380151734 /nfs/dbraw/zinc/15/17/34/380151734.db2.gz TXCOMZNYLSTMKX-NEPJUHHUSA-N 1 1 264.319 3.446 20 30 CGEDMO CC(C)(O)C[N@@H+](CCC1(C#N)CCCCC1)C1CC1 ZINC000411565151 380151871 /nfs/dbraw/zinc/15/18/71/380151871.db2.gz HIXRZJTZFHZXIC-UHFFFAOYSA-N 1 1 264.413 3.086 20 30 CGEDMO C=CCC[C@@H](C)[NH2+]CC(F)(F)c1cccc(OC)n1 ZINC000353969431 380257671 /nfs/dbraw/zinc/25/76/71/380257671.db2.gz AGUGNJYTLIMBMM-LLVKDONJSA-N 1 1 270.323 3.126 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C[C@H]1C[C@H]1c1ccccc1)C1CC1 ZINC000354034525 380289343 /nfs/dbraw/zinc/28/93/43/380289343.db2.gz ROOVGNCXWNWPEV-UNEWFSDZSA-N 1 1 254.377 3.414 20 30 CGEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(C#N)ccc2F)C1(C)C ZINC000354455042 380446284 /nfs/dbraw/zinc/44/62/84/380446284.db2.gz OBFFISZELRIADU-JKSUJKDBSA-N 1 1 290.382 3.333 20 30 CGEDMO C=C[C@@H]1CCCCN1c1[nH+]cnc2[nH]c(C)c(C)c21 ZINC000645228303 380624795 /nfs/dbraw/zinc/62/47/95/380624795.db2.gz UVUOZSNEVFEIGO-GFCCVEGCSA-N 1 1 256.353 3.120 20 30 CGEDMO C[C@@]1(F)CC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000355357449 380657540 /nfs/dbraw/zinc/65/75/40/380657540.db2.gz UWEBACGTCOYPQR-MRXNPFEDSA-N 1 1 276.355 3.303 20 30 CGEDMO CC[C@@H](C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1)OC ZINC000419221424 380782083 /nfs/dbraw/zinc/78/20/83/380782083.db2.gz APJJETVXNGLKRC-KRWDZBQOSA-N 1 1 270.376 3.072 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356392102 380798497 /nfs/dbraw/zinc/79/84/97/380798497.db2.gz JSIDFBCFVOMGCK-UHFFFAOYSA-N 1 1 298.308 3.211 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000419314043 380801879 /nfs/dbraw/zinc/80/18/79/380801879.db2.gz LUEHFISHBGSJFU-MRXNPFEDSA-N 1 1 272.392 3.470 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCSC[C@H]2C2CCC2)cc1 ZINC000419372061 380819848 /nfs/dbraw/zinc/81/98/48/380819848.db2.gz KCKSDHNAUFHRMH-KRWDZBQOSA-N 1 1 286.444 3.470 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2nc(C3CC3)cs2)cc1F ZINC000421341791 380882929 /nfs/dbraw/zinc/88/29/29/380882929.db2.gz MADGNTKYCFSWLX-UHFFFAOYSA-N 1 1 287.363 3.321 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](O)CC23CCC3)cc1 ZINC000421367488 380902042 /nfs/dbraw/zinc/90/20/42/380902042.db2.gz DUCUPULSHSWJLZ-MRXNPFEDSA-N 1 1 287.403 3.131 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@@H](CCO)CC2)c1 ZINC000421393143 380940262 /nfs/dbraw/zinc/94/02/62/380940262.db2.gz DHVVNRSAZMXBJR-MRXNPFEDSA-N 1 1 289.419 3.236 20 30 CGEDMO C[C@]12CC[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]1C2(F)F ZINC000334877033 207231709 /nfs/dbraw/zinc/23/17/09/207231709.db2.gz KRKZONZEDNOKOT-KGLIPLIRSA-N 1 1 280.293 3.174 20 30 CGEDMO COCC[N@@H+](CC(C)(C)CCC#N)[C@@H]1CC[C@H](C)C1 ZINC000361640150 381851758 /nfs/dbraw/zinc/85/17/58/381851758.db2.gz SCAINSRUULSLAZ-LSDHHAIUSA-N 1 1 266.429 3.453 20 30 CGEDMO Cc1cc(-n2ccnc2)ccc1C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000361859828 381874045 /nfs/dbraw/zinc/87/40/45/381874045.db2.gz IGKTURPPIUTFNM-AWEZNQCLSA-N 1 1 294.402 3.305 20 30 CGEDMO Cc1cc(-n2ccnc2)ccc1C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000361859828 381874052 /nfs/dbraw/zinc/87/40/52/381874052.db2.gz IGKTURPPIUTFNM-AWEZNQCLSA-N 1 1 294.402 3.305 20 30 CGEDMO COCC[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1CC[C@@H](C)C1 ZINC000362147183 381887913 /nfs/dbraw/zinc/88/79/13/381887913.db2.gz DJHSUKRFRQACHY-CXAGYDPISA-N 1 1 290.382 3.334 20 30 CGEDMO COCC[N@@H+](Cc1ccc(F)cc1C#N)[C@H]1CC[C@H](C)C1 ZINC000362144606 381888229 /nfs/dbraw/zinc/88/82/29/381888229.db2.gz RDTBXZKEYHSPCF-GUYCJALGSA-N 1 1 290.382 3.334 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@](C)(CCC)C1 ZINC000362433858 381988866 /nfs/dbraw/zinc/98/88/66/381988866.db2.gz IMAWKZXXGYGTOU-KRWDZBQOSA-N 1 1 278.440 3.089 20 30 CGEDMO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000362439836 381991612 /nfs/dbraw/zinc/99/16/12/381991612.db2.gz PMPMWFYZXMAWCT-ZIAGYGMSSA-N 1 1 267.376 3.431 20 30 CGEDMO COC[C@H]([NH2+]Cc1ccc(C#N)o1)c1cccc(Cl)c1 ZINC000288496989 197095787 /nfs/dbraw/zinc/09/57/87/197095787.db2.gz HSROHSJBDUSJAU-HNNXBMFYSA-N 1 1 290.750 3.282 20 30 CGEDMO COC[C@@H]([NH2+]Cc1ccc(C#N)o1)c1cccc(Cl)c1 ZINC000288496991 197095184 /nfs/dbraw/zinc/09/51/84/197095184.db2.gz HSROHSJBDUSJAU-OAHLLOKOSA-N 1 1 290.750 3.282 20 30 CGEDMO C[N@H+]1CCCC[C@H]1CCC(=O)Nc1cccc2[nH]cnc21 ZINC000329296267 542446336 /nfs/dbraw/zinc/44/63/36/542446336.db2.gz SUACEDNHPVBJBB-LBPRGKRZSA-N 1 1 286.379 3.415 20 30 CGEDMO C[N@@H+](CCCCC(C)(C)C#N)C1CCC(CO)CC1 ZINC000336806442 262395911 /nfs/dbraw/zinc/39/59/11/262395911.db2.gz ZNQSQTRMCRFRRZ-UHFFFAOYSA-N 1 1 266.429 3.189 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2c2cccc(F)c2)cc1 ZINC000281607503 195306614 /nfs/dbraw/zinc/30/66/14/195306614.db2.gz GRMBDDXTKQMJFF-ZWKOTPCHSA-N 1 1 296.345 3.005 20 30 CGEDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)[C@H](C)C1 ZINC000051731843 392074221 /nfs/dbraw/zinc/07/42/21/392074221.db2.gz GORRNRGUFBJACM-ZIAGYGMSSA-N 1 1 285.391 3.007 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000093533702 392239529 /nfs/dbraw/zinc/23/95/29/392239529.db2.gz HNSLBCDNATTXEO-UHFFFAOYSA-N 1 1 255.365 3.475 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1Cl)[C@H]1CCOC1 ZINC000361415634 392281620 /nfs/dbraw/zinc/28/16/20/392281620.db2.gz PLQJIJJOOLHEHT-AWEZNQCLSA-N 1 1 278.783 3.211 20 30 CGEDMO CCC[C@@]1(CO)CC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000288803712 392409877 /nfs/dbraw/zinc/40/98/77/392409877.db2.gz LZLMSIPXZWDJLY-MRXNPFEDSA-N 1 1 292.810 3.196 20 30 CGEDMO CCC[C@@]1(CO)CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000288803712 392409883 /nfs/dbraw/zinc/40/98/83/392409883.db2.gz LZLMSIPXZWDJLY-MRXNPFEDSA-N 1 1 292.810 3.196 20 30 CGEDMO C(#Cc1ccccc1)C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000289484407 392422343 /nfs/dbraw/zinc/42/23/43/392422343.db2.gz IOYJVSLAZDNOKU-MSOLQXFVSA-N 1 1 281.399 3.072 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000289484407 392422346 /nfs/dbraw/zinc/42/23/46/392422346.db2.gz IOYJVSLAZDNOKU-MSOLQXFVSA-N 1 1 281.399 3.072 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000124942433 392436479 /nfs/dbraw/zinc/43/64/79/392436479.db2.gz QGBHKVYHCFIALK-KSZLIROESA-N 1 1 284.403 3.074 20 30 CGEDMO CC#CCC[N@H+](Cc1cc(OC)ccc1OC)C1CC1 ZINC000155021925 392538053 /nfs/dbraw/zinc/53/80/53/392538053.db2.gz AGHMBURONYVONS-UHFFFAOYSA-N 1 1 273.376 3.082 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1ccoc1C(=O)OC ZINC000150890432 392482160 /nfs/dbraw/zinc/48/21/60/392482160.db2.gz PAXKZYLKAJSWTN-UHFFFAOYSA-N 1 1 265.353 3.244 20 30 CGEDMO CCN(CCCC#N)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000373993653 392667234 /nfs/dbraw/zinc/66/72/34/392667234.db2.gz SPAOERVLOUUUFU-SJLPKXTDSA-N 1 1 285.435 3.448 20 30 CGEDMO CC[N@H+](CCCC#N)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000373993653 392667240 /nfs/dbraw/zinc/66/72/40/392667240.db2.gz SPAOERVLOUUUFU-SJLPKXTDSA-N 1 1 285.435 3.448 20 30 CGEDMO CC[N@@H+](CCCC#N)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000373993653 392667243 /nfs/dbraw/zinc/66/72/43/392667243.db2.gz SPAOERVLOUUUFU-SJLPKXTDSA-N 1 1 285.435 3.448 20 30 CGEDMO N#CC1(CCC[N@H+]2CCC[C@@H]2C2CCC2)CCOCC1 ZINC000374159277 392671182 /nfs/dbraw/zinc/67/11/82/392671182.db2.gz IOZXYAWBLVKIKL-MRXNPFEDSA-N 1 1 276.424 3.351 20 30 CGEDMO CN(C)Cc1cc(C[NH2+]CC(C)(C)CCC#N)ccc1F ZINC000174399303 392640572 /nfs/dbraw/zinc/64/05/72/392640572.db2.gz ROCLSVAHZWQHIR-UHFFFAOYSA-N 1 1 291.414 3.307 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000181260456 392725637 /nfs/dbraw/zinc/72/56/37/392725637.db2.gz WXRFFMLWZSZLKW-STQMWFEESA-N 1 1 294.826 3.414 20 30 CGEDMO C=C(C)COc1cc(C[N@H+](C)[C@@H](C)COC)ccc1OC ZINC000179373832 392700620 /nfs/dbraw/zinc/70/06/20/392700620.db2.gz UGOUJFMRPFDIDV-AWEZNQCLSA-N 1 1 293.407 3.117 20 30 CGEDMO CCc1nn(C)cc1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000179679070 392703887 /nfs/dbraw/zinc/70/38/87/392703887.db2.gz JMPAZBUDKWGNJO-UHFFFAOYSA-N 1 1 294.402 3.019 20 30 CGEDMO CCc1nn(C)cc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000179679070 392703891 /nfs/dbraw/zinc/70/38/91/392703891.db2.gz JMPAZBUDKWGNJO-UHFFFAOYSA-N 1 1 294.402 3.019 20 30 CGEDMO C[N@@H+](Cc1cccc2[nH]ccc21)[C@@H]1CC[C@@H](C#N)C1 ZINC000334320471 392719254 /nfs/dbraw/zinc/71/92/54/392719254.db2.gz VTQLGFOWTISLOZ-TZMCWYRMSA-N 1 1 253.349 3.292 20 30 CGEDMO C=C(C)CN(C)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000181076996 392720264 /nfs/dbraw/zinc/72/02/64/392720264.db2.gz AEHKHNTYJICCJK-OAHLLOKOSA-N 1 1 295.471 3.105 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000181246327 392723602 /nfs/dbraw/zinc/72/36/02/392723602.db2.gz QSBAHKOPJWSZPO-LBPRGKRZSA-N 1 1 280.799 3.483 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000181246327 392723606 /nfs/dbraw/zinc/72/36/06/392723606.db2.gz QSBAHKOPJWSZPO-LBPRGKRZSA-N 1 1 280.799 3.483 20 30 CGEDMO CCc1ccc([C@H](COC)[NH2+]Cc2ccc(C#N)cc2C)o1 ZINC000186328137 392781848 /nfs/dbraw/zinc/78/18/48/392781848.db2.gz XQCFZZUSTUQJDW-KRWDZBQOSA-N 1 1 298.386 3.499 20 30 CGEDMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CC1(C#N)CC1 ZINC000335659730 392805784 /nfs/dbraw/zinc/80/57/84/392805784.db2.gz XIRLSXPOTHUTFD-OCCSQVGLSA-N 1 1 258.340 3.307 20 30 CGEDMO C[C@@H]1CC[N@@H+](CCOCCC#N)[C@@H]1c1cccc(F)c1 ZINC000339011195 392941907 /nfs/dbraw/zinc/94/19/07/392941907.db2.gz QOVIASJPPPSTOP-CJNGLKHVSA-N 1 1 276.355 3.139 20 30 CGEDMO C[C@H]1CCCCC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459336651 392942317 /nfs/dbraw/zinc/94/23/17/392942317.db2.gz AUESWBMLPXVTAA-LBPRGKRZSA-N 1 1 273.336 3.231 20 30 CGEDMO C[C@H]1CCCCC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459336651 392942322 /nfs/dbraw/zinc/94/23/22/392942322.db2.gz AUESWBMLPXVTAA-LBPRGKRZSA-N 1 1 273.336 3.231 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000411693945 392984569 /nfs/dbraw/zinc/98/45/69/392984569.db2.gz GNQMJXCIDDGULY-CYBMUJFWSA-N 1 1 293.361 3.169 20 30 CGEDMO C[N@@H+](CCC1(C#N)CCCCC1)Cc1ccccn1 ZINC000411790481 392988922 /nfs/dbraw/zinc/98/89/22/392988922.db2.gz PCRYORIROYYMBY-UHFFFAOYSA-N 1 1 257.381 3.378 20 30 CGEDMO C=CCOCC[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412015717 392993254 /nfs/dbraw/zinc/99/32/54/392993254.db2.gz TYNSSHYPZGFZTL-QGZVFWFLSA-N 1 1 287.403 3.043 20 30 CGEDMO C=CCCCCC[N@@H+](C)Cc1ncc(COC)s1 ZINC000342933992 393012929 /nfs/dbraw/zinc/01/29/29/393012929.db2.gz QADJTWKZITVHTE-UHFFFAOYSA-N 1 1 268.426 3.468 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1ncc(COC)s1 ZINC000342933992 393012936 /nfs/dbraw/zinc/01/29/36/393012936.db2.gz QADJTWKZITVHTE-UHFFFAOYSA-N 1 1 268.426 3.468 20 30 CGEDMO CC[N@@H+](CCCOc1ccc(F)cc1)C[C@@H](C)C#N ZINC000345526710 393059875 /nfs/dbraw/zinc/05/98/75/393059875.db2.gz WOYQSYKQCMIQNX-ZDUSSCGKSA-N 1 1 264.344 3.076 20 30 CGEDMO Cc1cnn(C)c1C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000347660719 393107375 /nfs/dbraw/zinc/10/73/75/393107375.db2.gz XYESGCWQPLTCHB-UHFFFAOYSA-N 1 1 296.418 3.258 20 30 CGEDMO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]CC1(C#N)CC1 ZINC000351201579 393166450 /nfs/dbraw/zinc/16/64/50/393166450.db2.gz KPTSYOWAUZKHDN-RISCZKNCSA-N 1 1 278.783 3.309 20 30 CGEDMO C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)CC2(CCCC2)O1 ZINC000646134665 393222221 /nfs/dbraw/zinc/22/22/21/393222221.db2.gz PIEKBSXDCAJRRY-OAHLLOKOSA-N 1 1 287.378 3.211 20 30 CGEDMO C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)CC2(CCCC2)O1 ZINC000646134665 393222229 /nfs/dbraw/zinc/22/22/29/393222229.db2.gz PIEKBSXDCAJRRY-OAHLLOKOSA-N 1 1 287.378 3.211 20 30 CGEDMO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1(C)C ZINC000353956965 393235706 /nfs/dbraw/zinc/23/57/06/393235706.db2.gz NAEBGOLGEHVDQY-RDJZCZTQSA-N 1 1 272.392 3.194 20 30 CGEDMO C=CCOCC[N@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000569013097 393194909 /nfs/dbraw/zinc/19/49/09/393194909.db2.gz ROYGBZZXXSQALX-WMZOPIPTSA-N 1 1 289.419 3.268 20 30 CGEDMO C=CCOCC[N@@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000569013097 393194914 /nfs/dbraw/zinc/19/49/14/393194914.db2.gz ROYGBZZXXSQALX-WMZOPIPTSA-N 1 1 289.419 3.268 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+](C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000649272751 393389387 /nfs/dbraw/zinc/38/93/87/393389387.db2.gz MJKCJSSCLFBGFV-SQNIBIBYSA-N 1 1 289.419 3.023 20 30 CGEDMO CC1(C)C[NH+](Cc2nc(C#N)cs2)CC(C)(C)C1 ZINC000356409212 393438017 /nfs/dbraw/zinc/43/80/17/393438017.db2.gz KBHREIRJHBBPIU-UHFFFAOYSA-N 1 1 263.410 3.273 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C#N)cc1F)[C@H]1CCC[C@@H]1C ZINC000488100822 393457943 /nfs/dbraw/zinc/45/79/43/393457943.db2.gz ZGESRDDXRGGHJX-GUYCJALGSA-N 1 1 290.382 3.334 20 30 CGEDMO CSC[C@H]1CCC[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000488172075 393465831 /nfs/dbraw/zinc/46/58/31/393465831.db2.gz QTPASSWVZRUGLS-OAHLLOKOSA-N 1 1 260.406 3.194 20 30 CGEDMO C[C@H]1CC[C@H]([N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000429574058 393486501 /nfs/dbraw/zinc/48/65/01/393486501.db2.gz FCJUDGLCRRZFIM-BBRMVZONSA-N 1 1 285.391 3.007 20 30 CGEDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(C#N)c(C)c2)C[C@H]1C ZINC000488458003 393522639 /nfs/dbraw/zinc/52/26/39/393522639.db2.gz JOKKXVJORGOBQR-QAPCUYQASA-N 1 1 285.435 3.171 20 30 CGEDMO CCN1CC[C@H]([N@H+](C)Cc2ccc(C#N)c(C)c2)C[C@H]1C ZINC000488458003 393522657 /nfs/dbraw/zinc/52/26/57/393522657.db2.gz JOKKXVJORGOBQR-QAPCUYQASA-N 1 1 285.435 3.171 20 30 CGEDMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(C#N)c(C)c2)C[C@H]1C ZINC000488458003 393522660 /nfs/dbraw/zinc/52/26/60/393522660.db2.gz JOKKXVJORGOBQR-QAPCUYQASA-N 1 1 285.435 3.171 20 30 CGEDMO COCCCCc1ccc[nH+]c1N[C@H]1CC[C@@H](C#N)C1 ZINC000361019113 393644313 /nfs/dbraw/zinc/64/43/13/393644313.db2.gz WZSVNTRYVTZHJG-HIFRSBDPSA-N 1 1 273.380 3.155 20 30 CGEDMO C=CCC[C@@H](C)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000361053203 393657925 /nfs/dbraw/zinc/65/79/25/393657925.db2.gz QEYOWZICFMIALN-PBHICJAKSA-N 1 1 274.408 3.020 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](O)C2(C)C)cc1Cl ZINC000361065331 393663098 /nfs/dbraw/zinc/66/30/98/393663098.db2.gz JDKYLUPTGRJTKM-HNNXBMFYSA-N 1 1 295.810 3.250 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(Sc2ccccn2)o1 ZINC000491506872 393694275 /nfs/dbraw/zinc/69/42/75/393694275.db2.gz RSYPBYGHELAOCI-LBPRGKRZSA-N 1 1 272.373 3.279 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(Sc2ccccn2)o1 ZINC000491506872 393694282 /nfs/dbraw/zinc/69/42/82/393694282.db2.gz RSYPBYGHELAOCI-LBPRGKRZSA-N 1 1 272.373 3.279 20 30 CGEDMO C#C[C@H](CC)[NH2+]Cc1csc(-c2cccs2)n1 ZINC000491724630 393698057 /nfs/dbraw/zinc/69/80/57/393698057.db2.gz GKTGRVGQWOKBCM-SNVBAGLBSA-N 1 1 262.403 3.373 20 30 CGEDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc(C#N)c(C(F)(F)F)c1 ZINC000443515555 393760507 /nfs/dbraw/zinc/76/05/07/393760507.db2.gz BOEZPKFSXZIMQU-WDEREUQCSA-N 1 1 297.324 3.106 20 30 CGEDMO CC[C@H](NCC[NH+]1CCCCCC1)c1ccc(C#N)cc1 ZINC000447533801 393865100 /nfs/dbraw/zinc/86/51/00/393865100.db2.gz SOGRGAKKKMMRNU-SFHVURJKSA-N 1 1 285.435 3.475 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)[C@@H]1C(C)C ZINC000449559801 393903294 /nfs/dbraw/zinc/90/32/94/393903294.db2.gz ZEXBDQVTWAPCGR-FUHWJXTLSA-N 1 1 296.418 3.318 20 30 CGEDMO COCC#CC[N@H+]1C[C@@H](C)CC[C@@H]1c1ccccc1OC ZINC000671705883 543178815 /nfs/dbraw/zinc/17/88/15/543178815.db2.gz YGVRODLJNJUDHP-DOTOQJQBSA-N 1 1 287.403 3.118 20 30 CGEDMO CCC#C[C@@H](C)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000671723140 543181126 /nfs/dbraw/zinc/18/11/26/543181126.db2.gz GXMUBMFYBLOERL-UYAOXDASSA-N 1 1 296.458 3.386 20 30 CGEDMO CCC#C[C@@H](C)[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000671723140 543181134 /nfs/dbraw/zinc/18/11/34/543181134.db2.gz GXMUBMFYBLOERL-UYAOXDASSA-N 1 1 296.458 3.386 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000671723140 543181135 /nfs/dbraw/zinc/18/11/35/543181135.db2.gz GXMUBMFYBLOERL-UYAOXDASSA-N 1 1 296.458 3.386 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCc2ccc(F)cc2[C@@H](C)C1 ZINC000649894433 397747142 /nfs/dbraw/zinc/74/71/42/397747142.db2.gz LIRPNMQAGPVBJU-XJKSGUPXSA-N 1 1 277.383 3.114 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1Cc2ccccc2N(C)C[C@H]1CC ZINC000675502498 543345251 /nfs/dbraw/zinc/34/52/51/543345251.db2.gz RUJYYXOKESDKAG-IAGOWNOFSA-N 1 1 288.435 3.044 20 30 CGEDMO C=C(C)[C@@H](CO)[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000677802173 543466009 /nfs/dbraw/zinc/46/60/09/543466009.db2.gz FFZVMKYEBOQQBA-CYBMUJFWSA-N 1 1 274.191 3.362 20 30 CGEDMO C[C@@H]1C[C@H](Nc2ccc(C#N)c(Cl)c2)CC[N@H+]1C ZINC000090795120 165242662 /nfs/dbraw/zinc/24/26/62/165242662.db2.gz QUKCIGFUAVGANC-ZWNOBZJWSA-N 1 1 263.772 3.106 20 30 CGEDMO C[N@H+]1CCN(Cc2cc(C#N)cs2)C2(CCCCC2)C1 ZINC000093872072 165338045 /nfs/dbraw/zinc/33/80/45/165338045.db2.gz UKNBIIOLKHXLMN-UHFFFAOYSA-N 1 1 289.448 3.070 20 30 CGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1cccs1 ZINC000007420952 170284023 /nfs/dbraw/zinc/28/40/23/170284023.db2.gz PCNSJZVYRAUMLX-GFCCVEGCSA-N 1 1 299.399 3.079 20 30 CGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1cccs1 ZINC000007420952 170284025 /nfs/dbraw/zinc/28/40/25/170284025.db2.gz PCNSJZVYRAUMLX-GFCCVEGCSA-N 1 1 299.399 3.079 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cnc(C(C)(C)C)nc1 ZINC000284363221 196039239 /nfs/dbraw/zinc/03/92/39/196039239.db2.gz NDEGZYOJKLWPFS-UHFFFAOYSA-N 1 1 294.402 3.278 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1cnc(C(C)(C)C)nc1 ZINC000284363221 196039241 /nfs/dbraw/zinc/03/92/41/196039241.db2.gz NDEGZYOJKLWPFS-UHFFFAOYSA-N 1 1 294.402 3.278 20 30 CGEDMO N#CCC[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000020199372 171063027 /nfs/dbraw/zinc/06/30/27/171063027.db2.gz IHTIQOBFOJDKIN-UHFFFAOYSA-N 1 1 266.344 3.269 20 30 CGEDMO C[C@@H]1CCC[C@@](CNCc2cccc(C#N)c2)([NH+](C)C)C1 ZINC000040668232 174367694 /nfs/dbraw/zinc/36/76/94/174367694.db2.gz KZIWQBCFSHUQFJ-CRAIPNDOSA-N 1 1 285.435 3.158 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1cc(C)cc(C)c1 ZINC000078282537 177330020 /nfs/dbraw/zinc/33/00/20/177330020.db2.gz HFCSNRIPOZMUCC-UHFFFAOYSA-N 1 1 260.381 3.140 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1cc(C)cc(C)c1 ZINC000078282537 177330022 /nfs/dbraw/zinc/33/00/22/177330022.db2.gz HFCSNRIPOZMUCC-UHFFFAOYSA-N 1 1 260.381 3.140 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)N[C@@H](C)c1ccc(C)c(C)c1 ZINC000048617463 416455927 /nfs/dbraw/zinc/45/59/27/416455927.db2.gz GOYBCVJONYYUKD-INIZCTEOSA-N 1 1 288.435 3.379 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCCc3occc3C2)cc1 ZINC000344304094 225021493 /nfs/dbraw/zinc/02/14/93/225021493.db2.gz VUKYDMHTWMNXOI-UHFFFAOYSA-N 1 1 266.344 3.294 20 30 CGEDMO C=CCOCCNc1cc(C)[nH+]c2c(OC)cccc12 ZINC000679471449 543638524 /nfs/dbraw/zinc/63/85/24/543638524.db2.gz KJGLAVBXGKYKJO-UHFFFAOYSA-N 1 1 272.348 3.166 20 30 CGEDMO C=CCOc1cccc(C[N@H+](C)Cc2ccc(OC)nc2)c1 ZINC000680478614 543713909 /nfs/dbraw/zinc/71/39/09/543713909.db2.gz BSVAYTOKSHAJIT-UHFFFAOYSA-N 1 1 298.386 3.287 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000681022619 543758564 /nfs/dbraw/zinc/75/85/64/543758564.db2.gz PJDJARYMQJERCE-CQSZACIVSA-N 1 1 297.402 3.399 20 30 CGEDMO C=C(C)[C@@H](CO)[N@@H+](C)Cc1ccc(Br)cc1C ZINC000683525211 543920783 /nfs/dbraw/zinc/92/07/83/543920783.db2.gz PIDRMBFTOGGPLX-CQSZACIVSA-N 1 1 298.224 3.126 20 30 CGEDMO C=C[C@@](C)(CC)c1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1 ZINC000685326848 544062999 /nfs/dbraw/zinc/06/29/99/544062999.db2.gz JSKMIGSJKHQBJA-IAYQEVDDSA-N 1 1 275.396 3.264 20 30 CGEDMO C=CC[C@@H]1N(C(=O)[C@@H](C)Cc2cnc[nH]2)CCCC1(C)C ZINC000655034332 419016107 /nfs/dbraw/zinc/01/61/07/419016107.db2.gz YCXYXRKDYCFZBS-ZFWWWQNUSA-N 1 1 289.423 3.182 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2C[C@H](c3ccccc3)C[C@H]2C)nn1 ZINC000653556990 419048053 /nfs/dbraw/zinc/04/80/53/419048053.db2.gz VRJZWWMSDFMKCT-NVXWUHKLSA-N 1 1 296.418 3.232 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cccc(F)c1OC(F)F ZINC000660221704 419105030 /nfs/dbraw/zinc/10/50/30/419105030.db2.gz QXPLHGIXTPPTRK-UHFFFAOYSA-N 1 1 259.271 3.435 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2CCC)nn1 ZINC000653582193 419053474 /nfs/dbraw/zinc/05/34/74/419053474.db2.gz BCDCQRQOIAURDR-HOCLYGCPSA-N 1 1 276.428 3.255 20 30 CGEDMO C=C(C)C[N@@H+](C)CCCC(=O)Nc1ccccc1C(C)=O ZINC000653609563 419059528 /nfs/dbraw/zinc/05/95/28/419059528.db2.gz UTCKBWCLZHIMGP-UHFFFAOYSA-N 1 1 288.391 3.116 20 30 CGEDMO C=CC[N@@H+](Cc1ccc2ncccc2c1)[C@H](C)COC ZINC000661240772 419243051 /nfs/dbraw/zinc/24/30/51/419243051.db2.gz QXFZQEKMUGRFDZ-CQSZACIVSA-N 1 1 270.376 3.258 20 30 CGEDMO C=CC[N@@H+](C[C@@H]1CCC2(CCCC2)O1)[C@@H](C)COC ZINC000661241437 419244647 /nfs/dbraw/zinc/24/46/47/419244647.db2.gz YFGODUQAFALRBA-GJZGRUSLSA-N 1 1 267.413 3.001 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)c2c[nH]c3ncccc23)C1 ZINC000661382182 419255220 /nfs/dbraw/zinc/25/52/20/419255220.db2.gz UCJXCHAYPRIOHH-KBPBESRZSA-N 1 1 297.402 3.422 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000661379850 419255284 /nfs/dbraw/zinc/25/52/84/419255284.db2.gz IYLSBGQWLRGNTI-MAUKXSAKSA-N 1 1 298.430 3.294 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2nc(C(C)(C)C)no2)C1 ZINC000661378007 419255444 /nfs/dbraw/zinc/25/54/44/419255444.db2.gz ZGOSDZHBBBEGKR-LBPRGKRZSA-N 1 1 263.385 3.155 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2nc(C(C)(C)C)no2)C1 ZINC000661378007 419255446 /nfs/dbraw/zinc/25/54/46/419255446.db2.gz ZGOSDZHBBBEGKR-LBPRGKRZSA-N 1 1 263.385 3.155 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](CC(=O)Nc2cccc(F)c2)C1 ZINC000661379216 419255546 /nfs/dbraw/zinc/25/55/46/419255546.db2.gz VVNPQWRMHXNZDA-ZDUSSCGKSA-N 1 1 276.355 3.052 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CCc2nc3ccccc3n2C)C1 ZINC000661380098 419255618 /nfs/dbraw/zinc/25/56/18/419255618.db2.gz DYCOWGBNHXRYEI-OAHLLOKOSA-N 1 1 283.419 3.404 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2c2c(C)cccc2C)C1=O ZINC000661135430 419234367 /nfs/dbraw/zinc/23/43/67/419234367.db2.gz BVPSLJRZAHJQLH-IRXDYDNUSA-N 1 1 298.430 3.227 20 30 CGEDMO CC(=O)c1cccc(C[N@@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000661155291 419235745 /nfs/dbraw/zinc/23/57/45/419235745.db2.gz UEZZJBHJFWJYBL-AWEZNQCLSA-N 1 1 256.349 3.015 20 30 CGEDMO CC(=O)c1cccc(C[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000661155291 419235747 /nfs/dbraw/zinc/23/57/47/419235747.db2.gz UEZZJBHJFWJYBL-AWEZNQCLSA-N 1 1 256.349 3.015 20 30 CGEDMO O=C(Nc1cccc(-c2cc[nH]n2)c1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330205581 228065162 /nfs/dbraw/zinc/06/51/62/228065162.db2.gz CONDESHVZLBCGV-INIZCTEOSA-N 1 1 296.374 3.292 20 30 CGEDMO COc1ccccc1[C@@H]1CC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000356100299 228120253 /nfs/dbraw/zinc/12/02/53/228120253.db2.gz ANBWZESMMPQVDU-GFCCVEGCSA-N 1 1 299.399 3.013 20 30 CGEDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000356100299 228120254 /nfs/dbraw/zinc/12/02/54/228120254.db2.gz ANBWZESMMPQVDU-GFCCVEGCSA-N 1 1 299.399 3.013 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000662082704 419333064 /nfs/dbraw/zinc/33/30/64/419333064.db2.gz XEFYXRVIORSVRR-OAGGEKHMSA-N 1 1 278.440 3.203 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn2c(cccc2C)n1 ZINC000662081340 419333390 /nfs/dbraw/zinc/33/33/90/419333390.db2.gz VWDRPHNWMQPXPX-IYBDPMFKSA-N 1 1 267.376 3.326 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(N(C)C)c1 ZINC000662084317 419334609 /nfs/dbraw/zinc/33/46/09/419334609.db2.gz QKHKEASWKRPTRT-CALCHBBNSA-N 1 1 256.393 3.436 20 30 CGEDMO N#CCC1CC[NH+](Cc2nc3ccc(F)cc3o2)CC1 ZINC000335977150 228172736 /nfs/dbraw/zinc/17/27/36/228172736.db2.gz TZJXVMIABNRWDJ-UHFFFAOYSA-N 1 1 273.311 3.093 20 30 CGEDMO C=CCCC(C)(C)[NH2+]Cc1cn(-c2ccncc2)nc1C ZINC000657805095 419360996 /nfs/dbraw/zinc/36/09/96/419360996.db2.gz JWCSVSQJTFELCC-UHFFFAOYSA-N 1 1 284.407 3.410 20 30 CGEDMO N#CCCCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000363357478 260129049 /nfs/dbraw/zinc/12/90/49/260129049.db2.gz YYXSQSDXEHFZLT-LJQANCHMSA-N 1 1 297.446 3.278 20 30 CGEDMO N#CCCC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000363357478 260129054 /nfs/dbraw/zinc/12/90/54/260129054.db2.gz YYXSQSDXEHFZLT-LJQANCHMSA-N 1 1 297.446 3.278 20 30 CGEDMO N#CCCC[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000363357478 260129055 /nfs/dbraw/zinc/12/90/55/260129055.db2.gz YYXSQSDXEHFZLT-LJQANCHMSA-N 1 1 297.446 3.278 20 30 CGEDMO COc1cc2ccccc2cc1C[NH2+]CC(C)(C)C#N ZINC000449241376 260304841 /nfs/dbraw/zinc/30/48/41/260304841.db2.gz SLQQLVAFXNSNSS-UHFFFAOYSA-N 1 1 268.360 3.488 20 30 CGEDMO N#CCCC1CC[NH+](CC(=O)c2c[nH]c3ccccc23)CC1 ZINC000517931036 260322754 /nfs/dbraw/zinc/32/27/54/260322754.db2.gz TYINSOGLFWNDTE-UHFFFAOYSA-N 1 1 295.386 3.366 20 30 CGEDMO N#CCCCOc1cccc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000127968093 260371010 /nfs/dbraw/zinc/37/10/10/260371010.db2.gz AVAUPOIYTDFXOT-DLBZAZTESA-N 1 1 299.418 3.408 20 30 CGEDMO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cnn(C)c1 ZINC000090664965 260465242 /nfs/dbraw/zinc/46/52/42/260465242.db2.gz RAGKQYFNGMVSII-BBRMVZONSA-N 1 1 268.364 3.116 20 30 CGEDMO N#CCSCCC[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000154851193 261095015 /nfs/dbraw/zinc/09/50/15/261095015.db2.gz ZKDLVUIITXAGKD-MRXNPFEDSA-N 1 1 289.448 3.210 20 30 CGEDMO C[N@@H+]1CCC[C@@H]2CN(CCCCC(C)(C)C#N)CC[C@H]21 ZINC000300187827 261181382 /nfs/dbraw/zinc/18/13/82/261181382.db2.gz HOXCHZMKYFFQOR-HZPDHXFCSA-N 1 1 277.456 3.123 20 30 CGEDMO C[N@H+]1CCC[C@@H]2CN(CCCCC(C)(C)C#N)CC[C@H]21 ZINC000300187827 261181384 /nfs/dbraw/zinc/18/13/84/261181384.db2.gz HOXCHZMKYFFQOR-HZPDHXFCSA-N 1 1 277.456 3.123 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000361372830 261226278 /nfs/dbraw/zinc/22/62/78/261226278.db2.gz APZZDFLMMWHGGQ-QXSJWSMHSA-N 1 1 251.414 3.214 20 30 CGEDMO C=C(Cl)C[NH2+][C@H]1CCCOc2ccc(OC)cc21 ZINC000368465169 261318049 /nfs/dbraw/zinc/31/80/49/261318049.db2.gz FOQBNNFPFIJWAO-ZDUSSCGKSA-N 1 1 267.756 3.251 20 30 CGEDMO CC1(C)C[N@@H+](CCCCC#N)CCN1Cc1ccccc1 ZINC000104731806 261354699 /nfs/dbraw/zinc/35/46/99/261354699.db2.gz LSUMMYDHCXCCNT-UHFFFAOYSA-N 1 1 285.435 3.277 20 30 CGEDMO CC1(C)CN(CCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000104731806 261354701 /nfs/dbraw/zinc/35/47/01/261354701.db2.gz LSUMMYDHCXCCNT-UHFFFAOYSA-N 1 1 285.435 3.277 20 30 CGEDMO CC1(C)CN(CCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000104731806 261354703 /nfs/dbraw/zinc/35/47/03/261354703.db2.gz LSUMMYDHCXCCNT-UHFFFAOYSA-N 1 1 285.435 3.277 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000184086446 262007888 /nfs/dbraw/zinc/00/78/88/262007888.db2.gz YYIHXTNXHQECNQ-AWEZNQCLSA-N 1 1 282.347 3.051 20 30 CGEDMO CN(CC[N@@H+](C)CC(C)(C)CCC#N)C(=O)OC(C)(C)C ZINC000497294738 262136108 /nfs/dbraw/zinc/13/61/08/262136108.db2.gz RTURGHNMSWDCEU-UHFFFAOYSA-N 1 1 297.443 3.115 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc2c(c1)COC(C)(C)O2 ZINC000187523486 262139256 /nfs/dbraw/zinc/13/92/56/262139256.db2.gz IRUAYCICHFPXEK-AWEZNQCLSA-N 1 1 274.364 3.114 20 30 CGEDMO CN(C)Cc1cc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)ccc1F ZINC000192868358 262212364 /nfs/dbraw/zinc/21/23/64/262212364.db2.gz VNZAFXOUZSLGEA-CZUORRHYSA-N 1 1 289.398 3.059 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H](CC)N(C(C)=O)C[C@@H]1CC ZINC000488454061 262325597 /nfs/dbraw/zinc/32/55/97/262325597.db2.gz YAACUGDYBVLVIB-IRXDYDNUSA-N 1 1 280.456 3.454 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000336704744 262381357 /nfs/dbraw/zinc/38/13/57/262381357.db2.gz NOLRRNRJLPHTOY-OLZOCXBDSA-N 1 1 252.427 3.286 20 30 CGEDMO CCOC[C@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000336784076 262395037 /nfs/dbraw/zinc/39/50/37/262395037.db2.gz KQKGHINEYSGBEI-AWEZNQCLSA-N 1 1 252.402 3.065 20 30 CGEDMO C[C@@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)CC1(C)C ZINC000337216332 262435971 /nfs/dbraw/zinc/43/59/71/262435971.db2.gz ZHWJPZUCARBQJP-OAHLLOKOSA-N 1 1 278.440 3.455 20 30 CGEDMO Cc1ncc(C[NH+]2CCC(C)(C#N)CC2)n1-c1ccccc1 ZINC000272573486 263006986 /nfs/dbraw/zinc/00/69/86/263006986.db2.gz WMPLZORYEJOJBH-UHFFFAOYSA-N 1 1 294.402 3.306 20 30 CGEDMO C[C@H]1CCC[C@@H](CO)[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000272642270 263007814 /nfs/dbraw/zinc/00/78/14/263007814.db2.gz LUBUQKKXAIZUIG-HOCLYGCPSA-N 1 1 286.419 3.223 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCC[C@H]1CCC(=O)NC ZINC000353183160 263031232 /nfs/dbraw/zinc/03/12/32/263031232.db2.gz ORXPDGGPQZQFEA-HNNXBMFYSA-N 1 1 266.429 3.114 20 30 CGEDMO CCCn1ccnc1CCC[N@@H+](C)CCC(C)(C)C#N ZINC000277329098 263040645 /nfs/dbraw/zinc/04/06/45/263040645.db2.gz VLLHOUNMEMGINM-UHFFFAOYSA-N 1 1 276.428 3.097 20 30 CGEDMO CSc1ccccc1C[N@@H+](C)CCCSCC#N ZINC000280529061 263062534 /nfs/dbraw/zinc/06/25/34/263062534.db2.gz SHPBUZLYIMISBH-UHFFFAOYSA-N 1 1 280.462 3.487 20 30 CGEDMO C[NH+](C)Cc1cc(NC(=O)C2(C#N)CCC2)ccc1Cl ZINC000281452956 263069244 /nfs/dbraw/zinc/06/92/44/263069244.db2.gz FIMIVNVDOWTQPU-UHFFFAOYSA-N 1 1 291.782 3.034 20 30 CGEDMO C#Cc1ccc(C[N@@H+](C)Cc2scnc2C)cc1 ZINC000289272214 263108570 /nfs/dbraw/zinc/10/85/70/263108570.db2.gz FGHIDMHNBCUPJG-UHFFFAOYSA-N 1 1 256.374 3.065 20 30 CGEDMO CCC(CC)C[N@H+](CCC#N)Cc1c[nH]c2nccnc12 ZINC000290468576 263116979 /nfs/dbraw/zinc/11/69/79/263116979.db2.gz QAAFOEHMWTVNEU-UHFFFAOYSA-N 1 1 285.395 3.110 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)Cc1c[nH]c2nccnc12 ZINC000290468576 263116980 /nfs/dbraw/zinc/11/69/80/263116980.db2.gz QAAFOEHMWTVNEU-UHFFFAOYSA-N 1 1 285.395 3.110 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)C1 ZINC000293147530 263138360 /nfs/dbraw/zinc/13/83/60/263138360.db2.gz UBRJTOALGSQGPX-INWMFGNUSA-N 1 1 290.794 3.485 20 30 CGEDMO C[C@H](CCC#N)[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000298038754 263214082 /nfs/dbraw/zinc/21/40/82/263214082.db2.gz COICXTMZBSNDRD-GFCCVEGCSA-N 1 1 253.349 3.218 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000298038754 263214084 /nfs/dbraw/zinc/21/40/84/263214084.db2.gz COICXTMZBSNDRD-GFCCVEGCSA-N 1 1 253.349 3.218 20 30 CGEDMO C=CCC1(C[NH2+][C@@H]2CCN(C)C[C@H]2C)CCCC1 ZINC000453385602 263257798 /nfs/dbraw/zinc/25/77/98/263257798.db2.gz UVBJISRDNHXCME-HUUCEWRRSA-N 1 1 250.430 3.053 20 30 CGEDMO C=C1CC[NH+]([C@H](C)C(=O)N2CCCc3ccccc32)CC1 ZINC000342008158 263376973 /nfs/dbraw/zinc/37/69/73/263376973.db2.gz QLXPHDAHLLDPGW-OAHLLOKOSA-N 1 1 284.403 3.006 20 30 CGEDMO C=C1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccccc2C)CC1 ZINC000341992063 263382303 /nfs/dbraw/zinc/38/23/03/263382303.db2.gz HZKCFTKGBLXKFM-HOTGVXAUSA-N 1 1 286.419 3.213 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)C[C@@H](OC)C1CC1 ZINC000425385906 264220891 /nfs/dbraw/zinc/22/08/91/264220891.db2.gz NYYCGGIIRJZNQH-CQSZACIVSA-N 1 1 251.395 3.161 20 30 CGEDMO C=CCCCCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000253355323 264332335 /nfs/dbraw/zinc/33/23/35/264332335.db2.gz UYJGUTDFBUGBOZ-JKSUJKDBSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CCCCCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000253355323 264332338 /nfs/dbraw/zinc/33/23/38/264332338.db2.gz UYJGUTDFBUGBOZ-JKSUJKDBSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CCCC[N@H+](C)CCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000076735193 264344064 /nfs/dbraw/zinc/34/40/64/264344064.db2.gz VPJFXIJENBBGBH-UHFFFAOYSA-N 1 1 288.391 3.116 20 30 CGEDMO CC[C@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)CCCO1 ZINC000281343059 264473404 /nfs/dbraw/zinc/47/34/04/264473404.db2.gz KDAUYIAUCWDUPV-INIZCTEOSA-N 1 1 277.795 3.192 20 30 CGEDMO CCCC[N@@H+](CCOc1ccc(C#N)cc1)C1CC1 ZINC000042373827 270033142 /nfs/dbraw/zinc/03/31/42/270033142.db2.gz DLZGCUXQZYVSEP-UHFFFAOYSA-N 1 1 258.365 3.202 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)NC1CCCC1 ZINC000346280476 265108073 /nfs/dbraw/zinc/10/80/73/265108073.db2.gz RZGPXJTZXQEJSU-CYBMUJFWSA-N 1 1 292.448 3.183 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)NC1CCCC1 ZINC000346280476 265108076 /nfs/dbraw/zinc/10/80/76/265108076.db2.gz RZGPXJTZXQEJSU-CYBMUJFWSA-N 1 1 292.448 3.183 20 30 CGEDMO CC(C)CC[N@@H+](CCOc1ccc(C#N)cc1)C1CC1 ZINC000096835479 265389355 /nfs/dbraw/zinc/38/93/55/265389355.db2.gz SOQHDPKXVMUDBK-UHFFFAOYSA-N 1 1 272.392 3.448 20 30 CGEDMO N#Cc1ccc(C[NH+]2CCC(C(F)(F)F)CC2)cc1F ZINC000192047819 270076908 /nfs/dbraw/zinc/07/69/08/270076908.db2.gz BVVINMAEZXDWMT-UHFFFAOYSA-N 1 1 286.272 3.472 20 30 CGEDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1Cc1ccccc1C(C)(C)C#N ZINC000356996712 266229171 /nfs/dbraw/zinc/22/91/71/266229171.db2.gz HQSHNTFEVJXTPR-GJZGRUSLSA-N 1 1 285.435 3.012 20 30 CGEDMO C[C@H]1[C@H](C)[N@H+](Cc2ccccc2C(C)(C)C#N)CCN1C ZINC000356996712 266229173 /nfs/dbraw/zinc/22/91/73/266229173.db2.gz HQSHNTFEVJXTPR-GJZGRUSLSA-N 1 1 285.435 3.012 20 30 CGEDMO C[C@H]1[C@H](C)[N@@H+](Cc2ccccc2C(C)(C)C#N)CCN1C ZINC000356996712 266229175 /nfs/dbraw/zinc/22/91/75/266229175.db2.gz HQSHNTFEVJXTPR-GJZGRUSLSA-N 1 1 285.435 3.012 20 30 CGEDMO C=CC[N@H+](C[C@H](O)Cc1ccccc1C(F)(F)F)C1CC1 ZINC000357551005 266321624 /nfs/dbraw/zinc/32/16/24/266321624.db2.gz JKTFUAMQGLNWIJ-CQSZACIVSA-N 1 1 299.336 3.259 20 30 CGEDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000399759299 266385437 /nfs/dbraw/zinc/38/54/37/266385437.db2.gz NTDJAWMHVCLNHW-SWLSCSKDSA-N 1 1 258.365 3.187 20 30 CGEDMO CC[C@@H]1C[C@H](C)C[N@H+]1CCOc1cccc(C#N)c1 ZINC000399712175 266385826 /nfs/dbraw/zinc/38/58/26/266385826.db2.gz AXUYRNUNWBMVQJ-DZGCQCFKSA-N 1 1 258.365 3.057 20 30 CGEDMO C=CCC[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000362904002 267059876 /nfs/dbraw/zinc/05/98/76/267059876.db2.gz KAPJFUSMZUWRJM-XIRDDKMYSA-N 1 1 286.419 3.008 20 30 CGEDMO CCOC(=O)C[N@H+](Cc1ccc(C#N)c(C)c1)C(C)(C)C ZINC000488211418 267117888 /nfs/dbraw/zinc/11/78/88/267117888.db2.gz PFNQBTRKAPLXNK-UHFFFAOYSA-N 1 1 288.391 3.030 20 30 CGEDMO CCOC(=O)C[N@@H+](Cc1ccc(C#N)c(C)c1)C(C)(C)C ZINC000488211418 267117891 /nfs/dbraw/zinc/11/78/91/267117891.db2.gz PFNQBTRKAPLXNK-UHFFFAOYSA-N 1 1 288.391 3.030 20 30 CGEDMO C[C@@]1(c2ccccc2)CC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000370395310 267316970 /nfs/dbraw/zinc/31/69/70/267316970.db2.gz ONVVJAYCBQSNOV-NVXWUHKLSA-N 1 1 267.376 3.094 20 30 CGEDMO C[C@@]1(c2ccccc2)CC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000370395310 267316972 /nfs/dbraw/zinc/31/69/72/267316972.db2.gz ONVVJAYCBQSNOV-NVXWUHKLSA-N 1 1 267.376 3.094 20 30 CGEDMO Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CC1(C#N)CCC1 ZINC000418140773 267361881 /nfs/dbraw/zinc/36/18/81/267361881.db2.gz KDXKUSFAHTUINW-UHFFFAOYSA-N 1 1 298.365 3.103 20 30 CGEDMO CC(C)Oc1cccc(C[NH2+]CC2(C#N)CCC2)c1 ZINC000418143029 267365326 /nfs/dbraw/zinc/36/53/26/267365326.db2.gz ODFWFMIPVHCIBZ-UHFFFAOYSA-N 1 1 258.365 3.257 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)CCC1 ZINC000418145905 267366274 /nfs/dbraw/zinc/36/62/74/267366274.db2.gz ZIMZSSDQELVPKA-UHFFFAOYSA-N 1 1 298.308 3.411 20 30 CGEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NCC2(C#N)CCC2)C1 ZINC000418136586 267369052 /nfs/dbraw/zinc/36/90/52/267369052.db2.gz CONZLHHCTNZWCG-RDJZCZTQSA-N 1 1 283.419 3.105 20 30 CGEDMO C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]CC2(C#N)CCC2)C1 ZINC000418136586 267369055 /nfs/dbraw/zinc/36/90/55/267369055.db2.gz CONZLHHCTNZWCG-RDJZCZTQSA-N 1 1 283.419 3.105 20 30 CGEDMO CCCCCCC[N@H+]1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000372610093 267581513 /nfs/dbraw/zinc/58/15/13/267581513.db2.gz BEOYGOMWNBSQNM-HUUCEWRRSA-N 1 1 267.413 3.027 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000377157974 268051725 /nfs/dbraw/zinc/05/17/25/268051725.db2.gz NEQHMTHXAZGDRO-SQNIBIBYSA-N 1 1 271.404 3.457 20 30 CGEDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000532967386 270220526 /nfs/dbraw/zinc/22/05/26/270220526.db2.gz AVJMGZRXABADCW-YOEHRIQHSA-N 1 1 299.418 3.397 20 30 CGEDMO C=CC[N@H+](Cc1ccncc1)Cc1cccc(C#N)c1 ZINC000078801980 269561035 /nfs/dbraw/zinc/56/10/35/269561035.db2.gz HRXMDRSNTPVVAR-UHFFFAOYSA-N 1 1 263.344 3.141 20 30 CGEDMO C=CC[N@@H+](Cc1ccncc1)Cc1cccc(C#N)c1 ZINC000078801980 269561036 /nfs/dbraw/zinc/56/10/36/269561036.db2.gz HRXMDRSNTPVVAR-UHFFFAOYSA-N 1 1 263.344 3.141 20 30 CGEDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ccc(C#N)c(C(F)(F)F)c1 ZINC000443515551 274362440 /nfs/dbraw/zinc/36/24/40/274362440.db2.gz BOEZPKFSXZIMQU-GHMZBOCLSA-N 1 1 297.324 3.106 20 30 CGEDMO CC(C)(C)[C@@H]1CC[N@@H+](CCCC(C)(C)C#N)C[C@@H]1O ZINC000347788894 277237498 /nfs/dbraw/zinc/23/74/98/277237498.db2.gz KETRQHRTOLTGOG-KGLIPLIRSA-N 1 1 266.429 3.045 20 30 CGEDMO C[C@H](O)C[N@@H+](Cc1cccc(C#N)c1F)C1CCCCC1 ZINC000340923543 278289175 /nfs/dbraw/zinc/28/91/75/278289175.db2.gz XRMXXDUNIDRJQN-ZDUSSCGKSA-N 1 1 290.382 3.213 20 30 CGEDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccccc1C#N ZINC000336611891 279098137 /nfs/dbraw/zinc/09/81/37/279098137.db2.gz MYPTWBDVMDDXHF-ZWNOBZJWSA-N 1 1 268.282 3.331 20 30 CGEDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccccc1C#N ZINC000336611891 279098138 /nfs/dbraw/zinc/09/81/38/279098138.db2.gz MYPTWBDVMDDXHF-ZWNOBZJWSA-N 1 1 268.282 3.331 20 30 CGEDMO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000134773219 279108708 /nfs/dbraw/zinc/10/87/08/279108708.db2.gz CRWSQGGTSULQKX-MNOVXSKESA-N 1 1 264.369 3.023 20 30 CGEDMO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000134773219 279108710 /nfs/dbraw/zinc/10/87/10/279108710.db2.gz CRWSQGGTSULQKX-MNOVXSKESA-N 1 1 264.369 3.023 20 30 CGEDMO CC(C)n1cc([C@H](C)[NH2+]Cc2ccccc2C#N)cn1 ZINC000541643310 288714412 /nfs/dbraw/zinc/71/44/12/288714412.db2.gz SADICKIJXLHMHN-ZDUSSCGKSA-N 1 1 268.364 3.186 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158698198 290220896 /nfs/dbraw/zinc/22/08/96/290220896.db2.gz HZDJQWPMSQSDIB-ZTFGCOKTSA-N 1 1 283.419 3.035 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158698198 290220900 /nfs/dbraw/zinc/22/09/00/290220900.db2.gz HZDJQWPMSQSDIB-ZTFGCOKTSA-N 1 1 283.419 3.035 20 30 CGEDMO C[C@@H]1CN(c2ccc(C#N)cc2F)CC[N@H+](C2CCC2)C1 ZINC000292348282 297077672 /nfs/dbraw/zinc/07/76/72/297077672.db2.gz QNPBBFWTKQAQGF-ZDUSSCGKSA-N 1 1 287.382 3.008 20 30 CGEDMO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(Cl)cc1 ZINC000194076127 329065449 /nfs/dbraw/zinc/06/54/49/329065449.db2.gz LSUBWJKPWIOHSN-VXGBXAGGSA-N 1 1 261.756 3.434 20 30 CGEDMO C=CC[N@@H+](C[C@@H](C#N)CCC#N)CC1CCCCC1 ZINC000264906624 328162819 /nfs/dbraw/zinc/16/28/19/328162819.db2.gz XREQQNZCAUISJO-MRXNPFEDSA-N 1 1 259.397 3.498 20 30 CGEDMO N#CCC[C@H](C#N)C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000264909362 328162873 /nfs/dbraw/zinc/16/28/73/328162873.db2.gz YRPPQVNRARJIQJ-UKRRQHHQSA-N 1 1 271.339 3.059 20 30 CGEDMO N#CCC[C@H](C#N)C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000264909362 328162875 /nfs/dbraw/zinc/16/28/75/328162875.db2.gz YRPPQVNRARJIQJ-UKRRQHHQSA-N 1 1 271.339 3.059 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCc2ccccc2[C@H]1CO ZINC000277751398 328222326 /nfs/dbraw/zinc/22/23/26/328222326.db2.gz PPTCJHQDKOXCHS-QGZVFWFLSA-N 1 1 286.419 3.298 20 30 CGEDMO C[N@@H+](CCN(CCC#N)Cc1ccco1)Cc1ccccc1 ZINC000278612366 328228338 /nfs/dbraw/zinc/22/83/38/328228338.db2.gz MQHOHGHUYFELRF-UHFFFAOYSA-N 1 1 297.402 3.127 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000289592851 328255683 /nfs/dbraw/zinc/25/56/83/328255683.db2.gz XGVNHVMTZZLFAK-MRXNPFEDSA-N 1 1 283.419 3.063 20 30 CGEDMO C[C@H]1CCCCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000565047878 322057083 /nfs/dbraw/zinc/05/70/83/322057083.db2.gz XUUHQUTXNUOWGX-LBPRGKRZSA-N 1 1 273.336 3.231 20 30 CGEDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1cccc(C(F)F)c1C#N ZINC000565785214 322091098 /nfs/dbraw/zinc/09/10/98/322091098.db2.gz QCHIZDCFKIUYMS-GFCCVEGCSA-N 1 1 293.361 3.274 20 30 CGEDMO CCC[N@@H+](CC)C[C@H](C)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000566885284 322141997 /nfs/dbraw/zinc/14/19/97/322141997.db2.gz LHMAPOFVGZWWQF-UONOGXRCSA-N 1 1 291.414 3.468 20 30 CGEDMO CCCN(CC)C[C@H](C)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000566885284 322142000 /nfs/dbraw/zinc/14/20/00/322142000.db2.gz LHMAPOFVGZWWQF-UONOGXRCSA-N 1 1 291.414 3.468 20 30 CGEDMO C[C@@H](C1CCCCC1)[N@@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000567887244 322181591 /nfs/dbraw/zinc/18/15/91/322181591.db2.gz FSVCRHPKYXPYPD-ZDUSSCGKSA-N 1 1 297.406 3.002 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000567986729 322186904 /nfs/dbraw/zinc/18/69/04/322186904.db2.gz BSNFZDUALNJRMP-RBUKOAKNSA-N 1 1 296.414 3.198 20 30 CGEDMO CC1CCC([N@@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000572163935 322323226 /nfs/dbraw/zinc/32/32/26/322323226.db2.gz HEAARZQXHGHPQJ-UHFFFAOYSA-N 1 1 287.363 3.477 20 30 CGEDMO COc1cccc(C(F)(F)C[NH2+]CC(C)(C)CCC#N)n1 ZINC000353098138 328381035 /nfs/dbraw/zinc/38/10/35/328381035.db2.gz HKXQKWLTONMECQ-UHFFFAOYSA-N 1 1 297.349 3.102 20 30 CGEDMO COc1c(C)cc(C[N@H+](CCC#N)C(C)C)cc1C ZINC000535077591 328384699 /nfs/dbraw/zinc/38/46/99/328384699.db2.gz YVIKLHYSOSLHAP-UHFFFAOYSA-N 1 1 260.381 3.436 20 30 CGEDMO COc1c(C)cc(C[N@@H+](CCC#N)C(C)C)cc1C ZINC000535077591 328384700 /nfs/dbraw/zinc/38/47/00/328384700.db2.gz YVIKLHYSOSLHAP-UHFFFAOYSA-N 1 1 260.381 3.436 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H](C)c1ccccc1 ZINC000050275357 328395247 /nfs/dbraw/zinc/39/52/47/328395247.db2.gz HLLZAKNVJXQIPP-OAHLLOKOSA-N 1 1 274.408 3.104 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc(Br)cc2)CCC1 ZINC000258955749 326880107 /nfs/dbraw/zinc/88/01/07/326880107.db2.gz RFQLPHCPEYGNRI-UHFFFAOYSA-N 1 1 279.181 3.233 20 30 CGEDMO CCC[N@@H+](CCCCC#N)[C@@H](C)C(=O)Nc1ccccc1 ZINC000102400183 327226862 /nfs/dbraw/zinc/22/68/62/327226862.db2.gz NPTAGXURWSXHKJ-HNNXBMFYSA-N 1 1 287.407 3.419 20 30 CGEDMO N#CCCCC[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000102397879 327226908 /nfs/dbraw/zinc/22/69/08/327226908.db2.gz MFYUWOFVDRLZAR-KRWDZBQOSA-N 1 1 272.392 3.361 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@@H](O)C(C)(C)C ZINC000559777947 327261148 /nfs/dbraw/zinc/26/11/48/327261148.db2.gz KJJVYIZSVBPEQW-OAHLLOKOSA-N 1 1 265.372 3.221 20 30 CGEDMO CC(C)(C#N)CCC[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000126067069 327398466 /nfs/dbraw/zinc/39/84/66/327398466.db2.gz RVCYAEJCGAEMQX-CQSZACIVSA-N 1 1 278.421 3.451 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000126067069 327398467 /nfs/dbraw/zinc/39/84/67/327398467.db2.gz RVCYAEJCGAEMQX-CQSZACIVSA-N 1 1 278.421 3.451 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@](CO)(C(C)C)C2)c1 ZINC000378137547 329041208 /nfs/dbraw/zinc/04/12/08/329041208.db2.gz ZIODJIXLCHTFSD-SFHVURJKSA-N 1 1 289.419 3.092 20 30 CGEDMO C=CCCCC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000176338805 329174709 /nfs/dbraw/zinc/17/47/09/329174709.db2.gz ZMWBMBSEFBXLSR-INIZCTEOSA-N 1 1 288.435 3.370 20 30 CGEDMO C=CCc1cc(C[N@H+]2CCSC[C@@H]2C)cc(OC)c1O ZINC000179662892 329210895 /nfs/dbraw/zinc/21/08/95/329210895.db2.gz YNFLDMAYXMTLPK-LBPRGKRZSA-N 1 1 293.432 3.067 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000181281021 329229084 /nfs/dbraw/zinc/22/90/84/329229084.db2.gz NNGMZKVJTVQDFS-CABCVRRESA-N 1 1 274.408 3.069 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1ncc(-c2ccccc2F)o1 ZINC000181277030 329229216 /nfs/dbraw/zinc/22/92/16/329229216.db2.gz BBSUUPGDGUOQBA-UHFFFAOYSA-N 1 1 260.312 3.489 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ncc(-c2ccccc2F)o1 ZINC000181277030 329229217 /nfs/dbraw/zinc/22/92/17/329229217.db2.gz BBSUUPGDGUOQBA-UHFFFAOYSA-N 1 1 260.312 3.489 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000184953756 329265892 /nfs/dbraw/zinc/26/58/92/329265892.db2.gz JVKPQEXOQNLGCA-INIZCTEOSA-N 1 1 288.435 3.227 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](CC(F)(F)F)C2)nc1 ZINC000582913375 329287734 /nfs/dbraw/zinc/28/77/34/329287734.db2.gz HCJZCYVCZNWKAQ-LLVKDONJSA-N 1 1 283.297 3.118 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)nc1 ZINC000582913375 329287736 /nfs/dbraw/zinc/28/77/36/329287736.db2.gz HCJZCYVCZNWKAQ-LLVKDONJSA-N 1 1 283.297 3.118 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000582939729 329291392 /nfs/dbraw/zinc/29/13/92/329291392.db2.gz RPPXFPZTVRJMHT-LRDDRELGSA-N 1 1 271.339 3.236 20 30 CGEDMO CC(C)[C@@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1nc(C2CC2)no1 ZINC000185885096 329334358 /nfs/dbraw/zinc/33/43/58/329334358.db2.gz JACZJKSKCKBFCD-IACUBPJLSA-N 1 1 288.395 3.316 20 30 CGEDMO CC[N@H+](CCC#N)C[C@@H]1CCC2(CCCCC2)O1 ZINC000228051837 329335557 /nfs/dbraw/zinc/33/55/57/329335557.db2.gz ZCUVWGYLDAUENY-AWEZNQCLSA-N 1 1 250.386 3.104 20 30 CGEDMO CC[N@@H+](CCC#N)C[C@@H]1CCC2(CCCCC2)O1 ZINC000228051837 329335558 /nfs/dbraw/zinc/33/55/58/329335558.db2.gz ZCUVWGYLDAUENY-AWEZNQCLSA-N 1 1 250.386 3.104 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@@H](O)CC1CCCC1 ZINC000190594641 329398378 /nfs/dbraw/zinc/39/83/78/329398378.db2.gz VHHWUWSMMCIMMP-HNNXBMFYSA-N 1 1 266.429 3.189 20 30 CGEDMO N#CCC[C@@H](C#N)C[N@@H+]1CCSC2(CCCCC2)C1 ZINC000079771543 330057171 /nfs/dbraw/zinc/05/71/71/330057171.db2.gz QEOZJWIOCMVVDF-AWEZNQCLSA-N 1 1 277.437 3.182 20 30 CGEDMO N#CCC[C@@H](C#N)C[N@H+]1CCSC2(CCCCC2)C1 ZINC000079771543 330057173 /nfs/dbraw/zinc/05/71/73/330057173.db2.gz QEOZJWIOCMVVDF-AWEZNQCLSA-N 1 1 277.437 3.182 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cc(OC)ccc1O ZINC000272693310 330087155 /nfs/dbraw/zinc/08/71/55/330087155.db2.gz XIOUCBLRKRVOIF-UHFFFAOYSA-N 1 1 287.359 3.225 20 30 CGEDMO CC[C@H]([NH2+]CC#Cc1ccccc1)c1nccs1 ZINC000080278203 330116345 /nfs/dbraw/zinc/11/63/45/330116345.db2.gz MMSSTLDSNQRQRV-AWEZNQCLSA-N 1 1 256.374 3.236 20 30 CGEDMO C=CCn1cc(C[NH2+]Cc2c(CC)oc3ccccc32)nn1 ZINC000424174346 330314301 /nfs/dbraw/zinc/31/43/01/330314301.db2.gz RRXHBUDBKVXWEA-UHFFFAOYSA-N 1 1 296.374 3.063 20 30 CGEDMO C=CCn1cc(C[NH2+]Cc2ccc(C(C)(C)C)s2)nn1 ZINC000424175895 330316167 /nfs/dbraw/zinc/31/61/67/330316167.db2.gz VWXQSWNHWSCHLD-UHFFFAOYSA-N 1 1 290.436 3.113 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000533012584 330324118 /nfs/dbraw/zinc/32/41/18/330324118.db2.gz NUDHSSOGDOKDAA-CYBMUJFWSA-N 1 1 270.401 3.499 20 30 CGEDMO C=CCn1cc(C[NH2+][C@@H]2CCCc3c(C)ccc(C)c32)nn1 ZINC000424296452 330336120 /nfs/dbraw/zinc/33/61/20/330336120.db2.gz OOCRDENZITXBBG-QGZVFWFLSA-N 1 1 296.418 3.248 20 30 CGEDMO C[C@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CC[C@H](C#N)C3)CC2)C1 ZINC000424337102 330343654 /nfs/dbraw/zinc/34/36/54/330343654.db2.gz YWBGMGRVNUDPBI-ONIAQPFYSA-N 1 1 289.467 3.311 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606159 330378013 /nfs/dbraw/zinc/37/80/13/330378013.db2.gz OZRQZXMRSVWBBN-UHFFFAOYSA-N 1 1 287.363 3.283 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@H](N2CCCCC2)C1 ZINC000537038184 330393422 /nfs/dbraw/zinc/39/34/22/330393422.db2.gz WHCXJZQXRPPWCT-JKSUJKDBSA-N 1 1 250.430 3.291 20 30 CGEDMO C=CCCC[C@H](C)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000537038184 330393423 /nfs/dbraw/zinc/39/34/23/330393423.db2.gz WHCXJZQXRPPWCT-JKSUJKDBSA-N 1 1 250.430 3.291 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)N(CC)c1ccccc1 ZINC000121096227 330396133 /nfs/dbraw/zinc/39/61/33/330396133.db2.gz BAUAJQFJHJVGOC-OAHLLOKOSA-N 1 1 274.408 3.326 20 30 CGEDMO C=CCOc1cccc(C[NH2+]Cc2cnc(CC)o2)c1 ZINC000449608842 330939403 /nfs/dbraw/zinc/93/94/03/330939403.db2.gz KPRYTZIPESKGRO-UHFFFAOYSA-N 1 1 272.348 3.092 20 30 CGEDMO N#CC1(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CCC1 ZINC000450846198 331002495 /nfs/dbraw/zinc/00/24/95/331002495.db2.gz OXOYFPWUOOZRKS-HUUCEWRRSA-N 1 1 292.329 3.078 20 30 CGEDMO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1csc(C2CCCC2)n1 ZINC000451601526 331035887 /nfs/dbraw/zinc/03/58/87/331035887.db2.gz AAUAVBFEKGXZCT-KGLIPLIRSA-N 1 1 278.421 3.234 20 30 CGEDMO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000453373920 331124409 /nfs/dbraw/zinc/12/44/09/331124409.db2.gz VYRPGYJSDXIWGG-YIZRAAEISA-N 1 1 292.326 3.156 20 30 CGEDMO C=C(CC)CNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000454317866 331144080 /nfs/dbraw/zinc/14/40/80/331144080.db2.gz ILHZSJXSCGLFIX-IYBDPMFKSA-N 1 1 295.471 3.010 20 30 CGEDMO C[C@@H]1C[C@@H](Nc2cccc(OCCCC#N)c2)C[N@H+]1C1CC1 ZINC000163990426 331146975 /nfs/dbraw/zinc/14/69/75/331146975.db2.gz HLIUKQTUOPTAIR-GDBMZVCRSA-N 1 1 299.418 3.406 20 30 CGEDMO C=CCC(C)(C)CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000458810258 331260755 /nfs/dbraw/zinc/26/07/55/331260755.db2.gz MRXYARVXHPGMOO-OAHLLOKOSA-N 1 1 295.471 3.105 20 30 CGEDMO C=CCC(C)(C)CNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000458815119 331261243 /nfs/dbraw/zinc/26/12/43/331261243.db2.gz WWNQNMUUDLRMBN-CABCVRRESA-N 1 1 295.471 3.103 20 30 CGEDMO C=C(CC)CNC(=O)N1CCC(C[N@H+](C)CCCC)CC1 ZINC000459077337 331269311 /nfs/dbraw/zinc/26/93/11/331269311.db2.gz NLGZAWIKVXYJAF-UHFFFAOYSA-N 1 1 295.471 3.106 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459417828 331280585 /nfs/dbraw/zinc/28/05/85/331280585.db2.gz UZCZFSJQXKOKCH-UHFFFAOYSA-N 1 1 295.386 3.209 20 30 CGEDMO C=CCC[N@@H+](C)Cc1cccc(O)c1Br ZINC000459508591 331285302 /nfs/dbraw/zinc/28/53/02/331285302.db2.gz LUAGDFULYAECDB-UHFFFAOYSA-N 1 1 270.170 3.163 20 30 CGEDMO C=CCC[N@H+](C)Cc1cccc(O)c1Br ZINC000459508591 331285303 /nfs/dbraw/zinc/28/53/03/331285303.db2.gz LUAGDFULYAECDB-UHFFFAOYSA-N 1 1 270.170 3.163 20 30 CGEDMO CC#CCC[N@@H+](C)CCOc1ccccc1Cl ZINC000462326215 331319594 /nfs/dbraw/zinc/31/95/94/331319594.db2.gz RVMUZFUYVSLFCF-UHFFFAOYSA-N 1 1 251.757 3.064 20 30 CGEDMO CC[N@@H+](CC#Cc1ccc(Cl)cc1)C[C@@H](C)OC ZINC000463411629 331347199 /nfs/dbraw/zinc/34/71/99/331347199.db2.gz FFVDIMISYQTKER-CYBMUJFWSA-N 1 1 265.784 3.048 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@H](CCC)C1 ZINC000466478246 331398010 /nfs/dbraw/zinc/39/80/10/331398010.db2.gz YFKXBBVUWRMTBU-HOTGVXAUSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(C(=O)OC)oc1CC ZINC000489430512 332051894 /nfs/dbraw/zinc/05/18/94/332051894.db2.gz PIOHQNIWGSDHTF-ZDUSSCGKSA-N 1 1 277.364 3.169 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1C[C@H](O)CCc1ccccc1 ZINC000489496639 332056650 /nfs/dbraw/zinc/05/66/50/332056650.db2.gz YWHACRQSDOBMEE-DLBZAZTESA-N 1 1 259.393 3.021 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)Cc1cncc(C)c1 ZINC000491071274 332146313 /nfs/dbraw/zinc/14/63/13/332146313.db2.gz JDIRNRXEZAQGGV-UHFFFAOYSA-N 1 1 250.345 3.025 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1cncc(C)c1 ZINC000491071274 332146314 /nfs/dbraw/zinc/14/63/14/332146314.db2.gz JDIRNRXEZAQGGV-UHFFFAOYSA-N 1 1 250.345 3.025 20 30 CGEDMO C#CC[NH+]1CCC(c2nc(CC3CCCCC3)no2)CC1 ZINC000491375192 332200124 /nfs/dbraw/zinc/20/01/24/332200124.db2.gz VBNRSAHYGWTCSS-UHFFFAOYSA-N 1 1 287.407 3.005 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000491557319 332238230 /nfs/dbraw/zinc/23/82/30/332238230.db2.gz IYLARBFSDWTFMQ-AWEZNQCLSA-N 1 1 282.428 3.189 20 30 CGEDMO C#Cc1ccc(C[NH2+][C@H](C#C)c2ccc(F)cc2)cc1 ZINC000491657663 332268906 /nfs/dbraw/zinc/26/89/06/332268906.db2.gz KKZXXGUPFVVIIS-GOSISDBHSA-N 1 1 263.315 3.271 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C#N)cn1)[C@@H]1CCc2ccccc21 ZINC000491730919 332312609 /nfs/dbraw/zinc/31/26/09/332312609.db2.gz AAWIYSDQZSUQQG-LJQANCHMSA-N 1 1 287.366 3.076 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(C#N)cn1)[C@@H]1CCc2ccccc21 ZINC000491730919 332312611 /nfs/dbraw/zinc/31/26/11/332312611.db2.gz AAWIYSDQZSUQQG-LJQANCHMSA-N 1 1 287.366 3.076 20 30 CGEDMO C#C[C@@H]([NH2+][C@H](C)Cn1cccn1)c1ccc(Cl)cc1F ZINC000491770456 332337185 /nfs/dbraw/zinc/33/71/85/332337185.db2.gz OOETTYZOBQHIMG-IAQYHMDHSA-N 1 1 291.757 3.028 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249734736 334339659 /nfs/dbraw/zinc/33/96/59/334339659.db2.gz DNRJQCUTOGSFLA-KGLIPLIRSA-N 1 1 286.202 3.459 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000305819151 333000036 /nfs/dbraw/zinc/00/00/36/333000036.db2.gz PREGOAPVGWQXNN-XJKSGUPXSA-N 1 1 297.826 3.286 20 30 CGEDMO CC[C@@H](C)[N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000174842747 333008470 /nfs/dbraw/zinc/00/84/70/333008470.db2.gz DLULMARVLPSUSZ-CQSZACIVSA-N 1 1 297.402 3.468 20 30 CGEDMO CC#CCCCC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000185146269 333136278 /nfs/dbraw/zinc/13/62/78/333136278.db2.gz RSFLONWOUZOAAL-CALCHBBNSA-N 1 1 292.467 3.054 20 30 CGEDMO CC#CCCCC(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000185522251 333142861 /nfs/dbraw/zinc/14/28/61/333142861.db2.gz KMJHPWDBIFFMRN-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000185909293 333151564 /nfs/dbraw/zinc/15/15/64/333151564.db2.gz DZTINVNCDRNQKO-JKSUJKDBSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CC[C@@H]1[N@H+](Cc2nc(C3CC3)nn2C)CCCC1(C)C ZINC000575864636 335125310 /nfs/dbraw/zinc/12/53/10/335125310.db2.gz RNTAXHZAPPWZIU-AWEZNQCLSA-N 1 1 288.439 3.259 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2nc(C3CC3)nn2C)CCCC1(C)C ZINC000575864636 335125311 /nfs/dbraw/zinc/12/53/11/335125311.db2.gz RNTAXHZAPPWZIU-AWEZNQCLSA-N 1 1 288.439 3.259 20 30 CGEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2sccc2OC)CC1 ZINC000186156378 333155768 /nfs/dbraw/zinc/15/57/68/333155768.db2.gz NXPBKHXNSMLXHA-CYBMUJFWSA-N 1 1 294.464 3.448 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+](CC)Cc1ccc(C)cc1 ZINC000521860885 333194271 /nfs/dbraw/zinc/19/42/71/333194271.db2.gz WCKSCRICUREXJW-UHFFFAOYSA-N 1 1 288.435 3.242 20 30 CGEDMO CCC(CC)[N@H+](CC#Cc1ccccc1)CCOC ZINC000191989930 333227909 /nfs/dbraw/zinc/22/79/09/333227909.db2.gz FHDIAYDRBCGUJM-UHFFFAOYSA-N 1 1 259.393 3.175 20 30 CGEDMO C[N@@H+](CCCCc1ccccc1)C[C@@H](C#N)CCC#N ZINC000193676836 333255469 /nfs/dbraw/zinc/25/54/69/333255469.db2.gz ODQXXPPXCTXGSR-QGZVFWFLSA-N 1 1 269.392 3.385 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000523444381 333327493 /nfs/dbraw/zinc/32/74/93/333327493.db2.gz XFSMTEHCKHFFLO-MRXNPFEDSA-N 1 1 273.355 3.157 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000576035196 335143910 /nfs/dbraw/zinc/14/39/10/335143910.db2.gz FCJCWHNFMKQICJ-GJZGRUSLSA-N 1 1 264.413 3.207 20 30 CGEDMO Cc1cc(C)cc(C[N@H+](C)Cc2cc(C#N)n(C)c2)c1 ZINC000576187748 335166882 /nfs/dbraw/zinc/16/68/82/335166882.db2.gz ZIPMDHKIQHMCRO-UHFFFAOYSA-N 1 1 267.376 3.146 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(Cl)cc1)[C@@H](CO)C(C)(C)C ZINC000134435297 334090425 /nfs/dbraw/zinc/09/04/25/334090425.db2.gz YDIUPXGOOQYKQM-HNNXBMFYSA-N 1 1 279.811 3.030 20 30 CGEDMO CCOC[C@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000135080223 334114665 /nfs/dbraw/zinc/11/46/65/334114665.db2.gz ZXVHVCVWQBKAFI-HNNXBMFYSA-N 1 1 291.822 3.440 20 30 CGEDMO CCOC[C@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000135080223 334114667 /nfs/dbraw/zinc/11/46/67/334114667.db2.gz ZXVHVCVWQBKAFI-HNNXBMFYSA-N 1 1 291.822 3.440 20 30 CGEDMO C[N@H+](CC#Cc1ccccc1Cl)CCC1CCOCC1 ZINC000135145671 334117784 /nfs/dbraw/zinc/11/77/84/334117784.db2.gz VJNKOMKOGKDRDD-UHFFFAOYSA-N 1 1 291.822 3.440 20 30 CGEDMO CN(C)Cc1ccc(C[NH2+]CC(C)(C)CCC#N)cc1F ZINC000136077518 334145893 /nfs/dbraw/zinc/14/58/93/334145893.db2.gz VQGXECHSGHERNS-UHFFFAOYSA-N 1 1 291.414 3.307 20 30 CGEDMO CC[C@@H](C)[N@@H+](CCCCC#N)CC(=O)OC(C)(C)C ZINC000136341261 334152418 /nfs/dbraw/zinc/15/24/18/334152418.db2.gz HHOOYQNKLXLJRF-CYBMUJFWSA-N 1 1 268.401 3.122 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+]CCOc1cccc2ccccc21 ZINC000548926480 334180606 /nfs/dbraw/zinc/18/06/06/334180606.db2.gz UECCBUGQVHJBIN-OAHLLOKOSA-N 1 1 293.370 3.252 20 30 CGEDMO C=CCOCC[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000549405402 334192776 /nfs/dbraw/zinc/19/27/76/334192776.db2.gz OXSRCEBPMJITGF-KRWDZBQOSA-N 1 1 259.393 3.459 20 30 CGEDMO C=C(CC)C[N@@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000550251361 334217417 /nfs/dbraw/zinc/21/74/17/334217417.db2.gz WRAYNJPDRUZKQH-LBPRGKRZSA-N 1 1 265.319 3.384 20 30 CGEDMO C=C(CC)C[N@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000550251361 334217419 /nfs/dbraw/zinc/21/74/19/334217419.db2.gz WRAYNJPDRUZKQH-LBPRGKRZSA-N 1 1 265.319 3.384 20 30 CGEDMO CC[C@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000246280402 334248383 /nfs/dbraw/zinc/24/83/83/334248383.db2.gz SWBKGBPFKBMPIA-CVEARBPZSA-N 1 1 299.418 3.054 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000249359507 334332447 /nfs/dbraw/zinc/33/24/47/334332447.db2.gz ZVSOQLMYZIJKHZ-HZPDHXFCSA-N 1 1 288.435 3.459 20 30 CGEDMO CO[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)CC[C@@H]1C ZINC000251774094 334369326 /nfs/dbraw/zinc/36/93/26/334369326.db2.gz LAAPGCYSPCUTEF-XJKSGUPXSA-N 1 1 277.795 3.048 20 30 CGEDMO C=CCC(C)(C)C[NH2+]C1CCN(CC2CC2)CC1 ZINC000556218139 334500612 /nfs/dbraw/zinc/50/06/12/334500612.db2.gz RIEJAEFAZJWNQW-UHFFFAOYSA-N 1 1 250.430 3.053 20 30 CGEDMO COc1ccc(C[N@@H+](C)Cc2ccc(CC#N)cc2)cc1 ZINC000342721653 335186205 /nfs/dbraw/zinc/18/62/05/335186205.db2.gz ACCDJLAKCMFLOA-UHFFFAOYSA-N 1 1 280.371 3.393 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)c1 ZINC000576982935 335273325 /nfs/dbraw/zinc/27/33/25/335273325.db2.gz DGMZAUXPMRSCMI-KRWDZBQOSA-N 1 1 296.345 3.351 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](Oc3ccccc3)C2)c1 ZINC000576982935 335273326 /nfs/dbraw/zinc/27/33/26/335273326.db2.gz DGMZAUXPMRSCMI-KRWDZBQOSA-N 1 1 296.345 3.351 20 30 CGEDMO CCc1cnc(C[NH2+]Cc2ccc(CC#N)cc2)s1 ZINC000577220053 335325079 /nfs/dbraw/zinc/32/50/79/335325079.db2.gz BLJYTZAQWKBSQX-UHFFFAOYSA-N 1 1 271.389 3.061 20 30 CGEDMO C=CCCCC[N@@H+]1C[C@H](CC)N(C(C)=O)C[C@H]1CC ZINC000577340324 335340510 /nfs/dbraw/zinc/34/05/10/335340510.db2.gz YPSVWHUWRYGLEV-CVEARBPZSA-N 1 1 266.429 3.064 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@@H](CC)c1cccc(OC)c1 ZINC000577418607 335351132 /nfs/dbraw/zinc/35/11/32/335351132.db2.gz DBSZLKANLUSYIO-RDJZCZTQSA-N 1 1 277.408 3.405 20 30 CGEDMO CCc1ccc([C@H]2CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)cc1 ZINC000577520768 335364113 /nfs/dbraw/zinc/36/41/13/335364113.db2.gz TXCSANLDLBNTSI-SFHVURJKSA-N 1 1 293.414 3.449 20 30 CGEDMO C=CCC1(C(=O)N2CC[N@@H+](C)C(C)(C)C2)CCCCC1 ZINC000577527512 335365123 /nfs/dbraw/zinc/36/51/23/335365123.db2.gz CWGHSHMMMWKCAL-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC1(C(=O)N2CC[N@H+](C)C(C)(C)C2)CCCCC1 ZINC000577527512 335365124 /nfs/dbraw/zinc/36/51/24/335365124.db2.gz CWGHSHMMMWKCAL-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO Cc1ccnc([C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)c1 ZINC000577743612 335395819 /nfs/dbraw/zinc/39/58/19/335395819.db2.gz VFUABPCWQUEEKT-ZDUSSCGKSA-N 1 1 283.400 3.313 20 30 CGEDMO N#CCCC1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000579587469 335814235 /nfs/dbraw/zinc/81/42/35/335814235.db2.gz LBQUGAOUNQWRBN-UHFFFAOYSA-N 1 1 268.364 3.079 20 30 CGEDMO C=CCOc1ccc(C[NH2+]C[C@H](C)C#N)cc1Cl ZINC000183837316 335909223 /nfs/dbraw/zinc/90/92/23/335909223.db2.gz FOVMZJJVMAMVRA-LLVKDONJSA-N 1 1 264.756 3.154 20 30 CGEDMO C[C@H]([NH2+][C@H]1C[C@@H](C)n2ccnc21)c1cccc(C#N)c1 ZINC000581053788 336001303 /nfs/dbraw/zinc/00/13/03/336001303.db2.gz JFTPYVJYZQGXPB-XUJVJEKNSA-N 1 1 266.348 3.111 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCc1ccncc1 ZINC000194973223 336041592 /nfs/dbraw/zinc/04/15/92/336041592.db2.gz AATFBSAUXJDRHB-AWEZNQCLSA-N 1 1 265.360 3.189 20 30 CGEDMO CCCC[N@@H+](CCC(=O)Nc1ccccc1C#N)C1CC1 ZINC000048993561 520485929 /nfs/dbraw/zinc/48/59/29/520485929.db2.gz NDGSKEFOCXUAHB-UHFFFAOYSA-N 1 1 285.391 3.151 20 30 CGEDMO N#CC1(C[N@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)CC1 ZINC000347483807 534549189 /nfs/dbraw/zinc/54/91/89/534549189.db2.gz QMVMOEKEZLVDPC-AWEZNQCLSA-N 1 1 276.767 3.097 20 30 CGEDMO N#CC1(C[N@@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)CC1 ZINC000347483807 534549193 /nfs/dbraw/zinc/54/91/93/534549193.db2.gz QMVMOEKEZLVDPC-AWEZNQCLSA-N 1 1 276.767 3.097 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCCC3(CCOCC3)C2)cc1 ZINC000334590675 534716937 /nfs/dbraw/zinc/71/69/37/534716937.db2.gz MZSPJAFWYZECHW-UHFFFAOYSA-N 1 1 284.403 3.145 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCCc3occc3C2)cc1F ZINC000367307376 534780780 /nfs/dbraw/zinc/78/07/80/534780780.db2.gz HRTOMDZWHPBLKH-UHFFFAOYSA-N 1 1 270.307 3.239 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCc3occc3C2)cc1F ZINC000367307376 534780784 /nfs/dbraw/zinc/78/07/84/534780784.db2.gz HRTOMDZWHPBLKH-UHFFFAOYSA-N 1 1 270.307 3.239 20 30 CGEDMO N#Cc1csc(C[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)c1 ZINC000336032277 534830242 /nfs/dbraw/zinc/83/02/42/534830242.db2.gz XGXNBMZXLACEPH-UHFFFAOYSA-N 1 1 296.395 3.373 20 30 CGEDMO N#Cc1csc(C[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)c1 ZINC000336032277 534830246 /nfs/dbraw/zinc/83/02/46/534830246.db2.gz XGXNBMZXLACEPH-UHFFFAOYSA-N 1 1 296.395 3.373 20 30 CGEDMO Cc1nc(C)c(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)o1 ZINC000329211222 534881447 /nfs/dbraw/zinc/88/14/47/534881447.db2.gz ZYYQAQJFHXJDRJ-CYBMUJFWSA-N 1 1 279.384 3.012 20 30 CGEDMO C[C@H](c1ccco1)[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000069070389 526145536 /nfs/dbraw/zinc/14/55/36/526145536.db2.gz YEVMYMYSSNPISH-CYBMUJFWSA-N 1 1 297.358 3.173 20 30 CGEDMO C=CC[N@H+](Cc1cnn(CCOC)c1)CC1CCCCC1 ZINC000353559474 526380338 /nfs/dbraw/zinc/38/03/38/526380338.db2.gz FLPISEJNGDWBIS-UHFFFAOYSA-N 1 1 291.439 3.098 20 30 CGEDMO C=C(C)CC[N@@H+](C)Cc1nccn1Cc1ccccc1 ZINC000352004369 526438849 /nfs/dbraw/zinc/43/88/49/526438849.db2.gz PCNMVHOEGBBYQC-UHFFFAOYSA-N 1 1 269.392 3.329 20 30 CGEDMO C=C(C)CC[N@H+](C)Cc1nccn1Cc1ccccc1 ZINC000352004369 526438852 /nfs/dbraw/zinc/43/88/52/526438852.db2.gz PCNMVHOEGBBYQC-UHFFFAOYSA-N 1 1 269.392 3.329 20 30 CGEDMO C=C(C)CC[N@@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000352012925 526447541 /nfs/dbraw/zinc/44/75/41/526447541.db2.gz HBXZLEDTTLXLPW-HNNXBMFYSA-N 1 1 267.319 3.304 20 30 CGEDMO C=C(C)CC[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000352012925 526447543 /nfs/dbraw/zinc/44/75/43/526447543.db2.gz HBXZLEDTTLXLPW-HNNXBMFYSA-N 1 1 267.319 3.304 20 30 CGEDMO N#Cc1c(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)cn2ccccc12 ZINC000103468931 526518410 /nfs/dbraw/zinc/51/84/10/526518410.db2.gz FOLIEYDVQNBXSQ-GOSISDBHSA-N 1 1 290.370 3.476 20 30 CGEDMO N#Cc1c(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)cn2ccccc12 ZINC000103468931 526518417 /nfs/dbraw/zinc/51/84/17/526518417.db2.gz FOLIEYDVQNBXSQ-GOSISDBHSA-N 1 1 290.370 3.476 20 30 CGEDMO C=C(C)C[N@@H+](CCCCCF)Cc1ccc(CO)o1 ZINC000352865642 526551158 /nfs/dbraw/zinc/55/11/58/526551158.db2.gz DIGKGZJBXYBQCU-UHFFFAOYSA-N 1 1 269.360 3.290 20 30 CGEDMO C=CCNC(=O)[C@H](C)Nc1ccc([N@@H+](C)CCCC)cc1 ZINC000107312385 526637074 /nfs/dbraw/zinc/63/70/74/526637074.db2.gz ZNEGCKNKNFYIRG-AWEZNQCLSA-N 1 1 289.423 3.026 20 30 CGEDMO C=CCNC(=O)[C@H](C)Nc1ccc([N@H+](C)CCCC)cc1 ZINC000107312385 526637082 /nfs/dbraw/zinc/63/70/82/526637082.db2.gz ZNEGCKNKNFYIRG-AWEZNQCLSA-N 1 1 289.423 3.026 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)CCCOC(C)C)cc1 ZINC000344183628 526862217 /nfs/dbraw/zinc/86/22/17/526862217.db2.gz FDHYNRCPVVGFIO-UHFFFAOYSA-N 1 1 277.408 3.498 20 30 CGEDMO C=CCOc1cccc(C[N@H+](C)Cc2ccccn2)c1 ZINC000350396462 526895805 /nfs/dbraw/zinc/89/58/05/526895805.db2.gz WEWLGSPKJMLIQJ-UHFFFAOYSA-N 1 1 268.360 3.278 20 30 CGEDMO C=CCC(C)(C)CNC(=O)CCn1cc[nH+]c1C(C)C ZINC000352544920 527001195 /nfs/dbraw/zinc/00/11/95/527001195.db2.gz DTDGIIRNBMZJHL-UHFFFAOYSA-N 1 1 277.412 3.115 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000347112717 527134767 /nfs/dbraw/zinc/13/47/67/527134767.db2.gz ZZTVXRYSDINGOD-MRXNPFEDSA-N 1 1 260.381 3.281 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000352609012 527192523 /nfs/dbraw/zinc/19/25/23/527192523.db2.gz QHEGJRJLOPNRGY-UHFFFAOYSA-N 1 1 252.289 3.132 20 30 CGEDMO C=CCc1cc(C[N@@H+]2CCC[C@@H]2CF)cc(OC)c1O ZINC000354522191 527236558 /nfs/dbraw/zinc/23/65/58/527236558.db2.gz RWHPAUCBVZURJJ-CQSZACIVSA-N 1 1 279.355 3.063 20 30 CGEDMO C=CCc1cc(C[N@H+]2CCC[C@@H]2CF)cc(OC)c1O ZINC000354522191 527236562 /nfs/dbraw/zinc/23/65/62/527236562.db2.gz RWHPAUCBVZURJJ-CQSZACIVSA-N 1 1 279.355 3.063 20 30 CGEDMO CC[N@@H+](CCC1CC1)Cc1ccc(C#N)cc1OC ZINC000355061287 528424425 /nfs/dbraw/zinc/42/44/25/528424425.db2.gz IXFLOOHEERODIX-UHFFFAOYSA-N 1 1 258.365 3.189 20 30 CGEDMO CC[N@H+](CCc1nccs1)Cc1cccc(F)c1C#N ZINC000428305012 528610724 /nfs/dbraw/zinc/61/07/24/528610724.db2.gz IGZSGLSRYVTIEA-UHFFFAOYSA-N 1 1 289.379 3.218 20 30 CGEDMO CC[N@@H+](CCc1nccs1)Cc1cccc(F)c1C#N ZINC000428305012 528610729 /nfs/dbraw/zinc/61/07/29/528610729.db2.gz IGZSGLSRYVTIEA-UHFFFAOYSA-N 1 1 289.379 3.218 20 30 CGEDMO CC(C)[C@@H]1CCC[N@H+](Cc2nc(C#N)cs2)CC1 ZINC000356101095 528667705 /nfs/dbraw/zinc/66/77/05/528667705.db2.gz BUVYGIKCFIYTRT-GFCCVEGCSA-N 1 1 263.410 3.273 20 30 CGEDMO CC(C)[C@@H]1CCC[N@@H+](Cc2nc(C#N)cs2)CC1 ZINC000356101095 528667710 /nfs/dbraw/zinc/66/77/10/528667710.db2.gz BUVYGIKCFIYTRT-GFCCVEGCSA-N 1 1 263.410 3.273 20 30 CGEDMO CCn1nnc(C)c1C[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000449015525 528755207 /nfs/dbraw/zinc/75/52/07/528755207.db2.gz UDCDMVJHYNETPW-AWEZNQCLSA-N 1 1 297.406 3.061 20 30 CGEDMO CCn1nnc(C)c1C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000449015525 528755211 /nfs/dbraw/zinc/75/52/11/528755211.db2.gz UDCDMVJHYNETPW-AWEZNQCLSA-N 1 1 297.406 3.061 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(CC#N)cc2)[C@H]1[C@@H]1CCCO1 ZINC000351968537 529124054 /nfs/dbraw/zinc/12/40/54/529124054.db2.gz QZLWBVPKJSHDFY-IRXDYDNUSA-N 1 1 284.403 3.142 20 30 CGEDMO C#CC[N@H+]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000728056245 571786141 /nfs/dbraw/zinc/78/61/41/571786141.db2.gz MCHOCIMLQWAFAU-CYBMUJFWSA-N 1 1 253.267 3.476 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000728056245 571786144 /nfs/dbraw/zinc/78/61/44/571786144.db2.gz MCHOCIMLQWAFAU-CYBMUJFWSA-N 1 1 253.267 3.476 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000740877326 571890938 /nfs/dbraw/zinc/89/09/38/571890938.db2.gz AZRVNIDLSUITDM-NWDGAFQWSA-N 1 1 267.335 3.344 20 30 CGEDMO CCCCCCCCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000725803309 572409581 /nfs/dbraw/zinc/40/95/81/572409581.db2.gz GTCXWIPLRAOUIS-OAHLLOKOSA-N 1 1 268.445 3.195 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000740885074 572466781 /nfs/dbraw/zinc/46/67/81/572466781.db2.gz YNVIKOZVOUPLNO-NWDGAFQWSA-N 1 1 278.783 3.473 20 30 CGEDMO CC(C)C[N@H+](CCC#N)Cc1cnc2c(cnn2C(C)C)c1 ZINC000739913240 572607980 /nfs/dbraw/zinc/60/79/80/572607980.db2.gz FEPWTXLZICWXLF-UHFFFAOYSA-N 1 1 299.422 3.384 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)Cc1cnc2c(cnn2C(C)C)c1 ZINC000739913240 572607984 /nfs/dbraw/zinc/60/79/84/572607984.db2.gz FEPWTXLZICWXLF-UHFFFAOYSA-N 1 1 299.422 3.384 20 30 CGEDMO C#CC[N@@H+](CN1C[C@@H](CC(C)C)CC1=O)C1CCCCC1 ZINC000744433125 572752504 /nfs/dbraw/zinc/75/25/04/572752504.db2.gz GRILYNXECPKNNB-INIZCTEOSA-N 1 1 290.451 3.106 20 30 CGEDMO C#CC[N@H+](CN1C[C@@H](CC(C)C)CC1=O)C1CCCCC1 ZINC000744433125 572752506 /nfs/dbraw/zinc/75/25/06/572752506.db2.gz GRILYNXECPKNNB-INIZCTEOSA-N 1 1 290.451 3.106 20 30 CGEDMO CCCCCCCCC(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000744799048 572776490 /nfs/dbraw/zinc/77/64/90/572776490.db2.gz STLDXZVPTAUELM-OAHLLOKOSA-N 1 1 268.445 3.195 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccc(OCC(F)(F)F)cc1 ZINC000746457759 572871973 /nfs/dbraw/zinc/87/19/73/572871973.db2.gz PJIXQLMTWPZAAM-UHFFFAOYSA-N 1 1 271.282 3.083 20 30 CGEDMO C=C(Br)Cn1c[nH+]c2c1C[C@@H](C)[C@@H](C)C2 ZINC000307545901 618171892 /nfs/dbraw/zinc/17/18/92/618171892.db2.gz KXCMNILNNSNPIP-DTWKUNHWSA-N 1 1 269.186 3.163 20 30 CGEDMO C=C(Br)C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000769863776 627584466 /nfs/dbraw/zinc/58/44/66/627584466.db2.gz IFTQEBMSTIAKGF-MRVPVSSYSA-N 1 1 272.108 3.169 20 30 CGEDMO C=C(Br)C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000769863776 627584473 /nfs/dbraw/zinc/58/44/73/627584473.db2.gz IFTQEBMSTIAKGF-MRVPVSSYSA-N 1 1 272.108 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC2(CN(C(=O)CC3CCC3)C2)C1 ZINC000981690380 613250549 /nfs/dbraw/zinc/25/05/49/613250549.db2.gz QMGNMLSVQLBBNC-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC2(CN(C(=O)C(F)=C(C)C)C2)C1 ZINC000981707179 613250911 /nfs/dbraw/zinc/25/09/11/613250911.db2.gz MPAAWICONBKLTB-UHFFFAOYSA-N 1 1 294.414 3.140 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000963227251 613256197 /nfs/dbraw/zinc/25/61/97/613256197.db2.gz BQSBCPHNIZQUQX-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)C2CC=CC2)CC1 ZINC000948259830 613256670 /nfs/dbraw/zinc/25/66/70/613256670.db2.gz AGJVENAZTWLOKX-KRWDZBQOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC)C1 ZINC000963216023 613256967 /nfs/dbraw/zinc/25/69/67/613256967.db2.gz IPZSVDGNQQSCNV-HOTGVXAUSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2(C)CCC2)C[C@@H]1C ZINC000947619171 613265158 /nfs/dbraw/zinc/26/51/58/613265158.db2.gz FTPNFCNNJYLARZ-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2(C)CCC2)C(C)(C)C1 ZINC000940954910 613265427 /nfs/dbraw/zinc/26/54/27/613265427.db2.gz QHYIAUFSXYIXJA-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2CC(C)(C)C2)[C@@H](C)C1 ZINC000942019443 613265992 /nfs/dbraw/zinc/26/59/92/613265992.db2.gz CTOAJEZFDWJWGH-GOEBONIOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC2(C)C)C(C)(C)C1 ZINC000940689795 613266516 /nfs/dbraw/zinc/26/65/16/613266516.db2.gz PJHCYQWPZFBAFZ-HUUCEWRRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2(C3CC3)CC2)C[C@@H]1C ZINC000947427079 613270441 /nfs/dbraw/zinc/27/04/41/613270441.db2.gz WHCLVDSZMJPGPL-HOCLYGCPSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C=C2CCC2)C[C@H]1C ZINC000947191615 613270955 /nfs/dbraw/zinc/27/09/55/613270955.db2.gz VILOVVUQMORTBF-ZBFHGGJFSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2CCCCC2)[C@H](C)C1 ZINC000941759767 613271181 /nfs/dbraw/zinc/27/11/81/613271181.db2.gz FKMYIEKWKBKBOT-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2coc(C)c2)C[C@H]1C ZINC000947239239 613272978 /nfs/dbraw/zinc/27/29/78/613272978.db2.gz BAKKENCGAVYMDZ-CJNGLKHVSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2ccsc2)C(C)(C)C1 ZINC000972794840 613274427 /nfs/dbraw/zinc/27/44/27/613274427.db2.gz UWUJOTUQWVHLIG-CQSZACIVSA-N 1 1 292.448 3.155 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@]2(C)C=CCC2)C(C)(C)C1 ZINC000974966058 613277202 /nfs/dbraw/zinc/27/72/02/613277202.db2.gz VRRBNYONCMTBKK-MAUKXSAKSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC000971531997 613290428 /nfs/dbraw/zinc/29/04/28/613290428.db2.gz MXPMGMQVOVPVLI-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)c2ccc3occc3c2)CC1 ZINC000981218784 613312822 /nfs/dbraw/zinc/31/28/22/613312822.db2.gz RHZDRMFODVJXMP-UHFFFAOYSA-N 1 1 298.386 3.157 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)c2cccs2)CC1 ZINC000948159022 613314380 /nfs/dbraw/zinc/31/43/80/613314380.db2.gz HAXIAOVHXVXCRG-CQSZACIVSA-N 1 1 292.448 3.251 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC=CCC2)CC1 ZINC000948170122 613314986 /nfs/dbraw/zinc/31/49/86/613314986.db2.gz ZLSDRCWFCMJVGB-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)CCC2CCCCCC2)CC1 ZINC000949329893 613315842 /nfs/dbraw/zinc/31/58/42/613315842.db2.gz KVSXITYSXDAART-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C2CCC=CCC2)C1 ZINC000968659464 613323916 /nfs/dbraw/zinc/32/39/16/613323916.db2.gz GDBGMLDKBPBWOU-WBVHZDCISA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2CCC=CCC2)[C@@H](C)C1 ZINC000944995149 613327155 /nfs/dbraw/zinc/32/71/55/613327155.db2.gz QBYWDECGUXZENH-DOTOQJQBSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CC2CCCC2)C[C@@H]1C ZINC000947000245 613327647 /nfs/dbraw/zinc/32/76/47/613327647.db2.gz GMUGHGKNDQWNRH-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(C)c2)C[C@H]1C ZINC000947021411 613329855 /nfs/dbraw/zinc/32/98/55/613329855.db2.gz OBSAEQGJWIBATQ-NVXWUHKLSA-N 1 1 286.419 3.154 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cscc2C)C[C@@H]1C ZINC000947149049 613331244 /nfs/dbraw/zinc/33/12/44/613331244.db2.gz XSTNBBBMMJMILC-UONOGXRCSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(C)s2)C1 ZINC000964719138 613334295 /nfs/dbraw/zinc/33/42/95/613334295.db2.gz WCYNRSBDAQAECO-GXTWGEPZSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2CCCCC2)C[C@H]1C ZINC000947000379 613334917 /nfs/dbraw/zinc/33/49/17/613334917.db2.gz HCGHBNJCVBAQJE-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)C2CCC2)C(C)(C)C1 ZINC000940837352 613335619 /nfs/dbraw/zinc/33/56/19/613335619.db2.gz SJVLWVKREMDKPU-ZBFHGGJFSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C)cc2)C[C@H]1C ZINC000947972010 613336073 /nfs/dbraw/zinc/33/60/73/613336073.db2.gz XEHPFUZXENJHCI-WBVHZDCISA-N 1 1 286.419 3.154 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccsc2C)C(C)(C)C1 ZINC000974562505 613338651 /nfs/dbraw/zinc/33/86/51/613338651.db2.gz QZZVTNPHJRKJPX-CQSZACIVSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2sccc2C)C(C)(C)C1 ZINC000972758689 613338806 /nfs/dbraw/zinc/33/88/06/613338806.db2.gz WYKPRYYZOUFBFC-CYBMUJFWSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)C(C)=C2CCCC2)C1 ZINC000971319155 613368086 /nfs/dbraw/zinc/36/80/86/613368086.db2.gz OIZHGAOWNXGVQZ-OAHLLOKOSA-N 1 1 296.842 3.162 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)C(C)=C2CCCC2)C1 ZINC000971319155 613368087 /nfs/dbraw/zinc/36/80/87/613368087.db2.gz OIZHGAOWNXGVQZ-OAHLLOKOSA-N 1 1 296.842 3.162 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C=C2CCC2)C(C)(C)C1 ZINC000940668907 613378274 /nfs/dbraw/zinc/37/82/74/613378274.db2.gz BOUZZSRDXNSYOZ-AWEZNQCLSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C=C2CCC2)C(C)(C)C1 ZINC000940668907 613378275 /nfs/dbraw/zinc/37/82/75/613378275.db2.gz BOUZZSRDXNSYOZ-AWEZNQCLSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CC3CCC3)C2)CC1 ZINC000972237465 613405463 /nfs/dbraw/zinc/40/54/63/613405463.db2.gz JAIXFAMDTKICPJ-QGZVFWFLSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)C2C[C@@H](C)C[C@H](C)C2)C1 ZINC000957434409 613476718 /nfs/dbraw/zinc/47/67/18/613476718.db2.gz XBGMZSDTDMKQTO-GJZGRUSLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC000957430163 613477280 /nfs/dbraw/zinc/47/72/80/613477280.db2.gz WURMZPZMIKLNQX-OAHLLOKOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)c2cc(C)c(C)s2)C1 ZINC000957364621 613478931 /nfs/dbraw/zinc/47/89/31/613478931.db2.gz ILWSHHKHAYDZPR-UHFFFAOYSA-N 1 1 292.448 3.087 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)c2cc(C)cc(C)c2)C1 ZINC000957324414 613479297 /nfs/dbraw/zinc/47/92/97/613479297.db2.gz GRFVOCGJGXCBGI-UHFFFAOYSA-N 1 1 286.419 3.026 20 30 CGEDMO C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC000968960087 613490495 /nfs/dbraw/zinc/49/04/95/613490495.db2.gz KIHWPAUOCAJIRZ-JFIYKMOQSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)[C@]2(C)CCC[C@@H]2CC)CC1 ZINC000981451409 613496575 /nfs/dbraw/zinc/49/65/75/613496575.db2.gz SDTCIAYQFNUFDS-FUHWJXTLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)c2ccsc2Cl)CC1 ZINC000982088945 613497969 /nfs/dbraw/zinc/49/79/69/613497969.db2.gz RFYVMMWWOSKOFX-UHFFFAOYSA-N 1 1 298.839 3.126 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)C(C)=C2CCC2)CC1 ZINC000948365945 613499077 /nfs/dbraw/zinc/49/90/77/613499077.db2.gz VWKIINFUKONKSP-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)C(C)(C)C2CC2)CC1 ZINC000948701756 613500705 /nfs/dbraw/zinc/50/07/05/613500705.db2.gz YKAABMQEGFJICN-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC(=C)C)CC2(C)C)cc1 ZINC000975060691 613514343 /nfs/dbraw/zinc/51/43/43/613514343.db2.gz AIEHPZARHHTVPU-QGZVFWFLSA-N 1 1 298.430 3.346 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)CC2=CCCCC2)C1 ZINC000965625571 613515217 /nfs/dbraw/zinc/51/52/17/613515217.db2.gz OEXSZUUKZZUASB-WBVHZDCISA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C2(C)CCCC2)C[C@H]1C ZINC000947584269 613519158 /nfs/dbraw/zinc/51/91/58/613519158.db2.gz HGYHXAJOLUGUSG-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)C2CCCCCC2)[C@@H](C)C1 ZINC000941869254 613520150 /nfs/dbraw/zinc/52/01/50/613520150.db2.gz INCUIUUWRXXYTH-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)C[C@H]2C=CCC2)C(C)(C)C1 ZINC000940562254 613520914 /nfs/dbraw/zinc/52/09/14/613520914.db2.gz DIGGEGXDZNPYLQ-JKSUJKDBSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)C[C@H]1C ZINC000947949745 613522371 /nfs/dbraw/zinc/52/23/71/613522371.db2.gz ZRGBEOCLVQBPMZ-QBPKDAKJSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)c2csc(C)c2)[C@H](C)C1 ZINC000943647772 613527197 /nfs/dbraw/zinc/52/71/97/613527197.db2.gz RENTYYGPOOYUQS-IUODEOHRSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2sccc2C)C[C@@H]1C ZINC000946997283 613528425 /nfs/dbraw/zinc/52/84/25/613528425.db2.gz UMDOEZWLDWFJMD-UONOGXRCSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C=C2CCCCC2)C1 ZINC000965446771 613530712 /nfs/dbraw/zinc/53/07/12/613530712.db2.gz FZZRJOZIDAGKFR-DOTOQJQBSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C(F)=C2CCCC2)C[C@H]1C ZINC000947195971 613532891 /nfs/dbraw/zinc/53/28/91/613532891.db2.gz OYACPJLWIKNQPI-HIFRSBDPSA-N 1 1 294.414 3.329 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C2CCC2)C[C@H]1C ZINC000947579648 613533436 /nfs/dbraw/zinc/53/34/36/613533436.db2.gz DUMWYXSLGXCLDK-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)CC2CCCCC2)[C@H](C)C1 ZINC000941772357 613535092 /nfs/dbraw/zinc/53/50/92/613535092.db2.gz MYXIMRFDDIZRRU-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)C2CCCCCC2)[C@@H](C)C1 ZINC000941869256 613535124 /nfs/dbraw/zinc/53/51/24/613535124.db2.gz INCUIUUWRXXYTH-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)[C@H](C)C2CCCC2)C(C)(C)C1 ZINC000977452394 613554691 /nfs/dbraw/zinc/55/46/91/613554691.db2.gz SPXDBRVIZBROPY-ZBFHGGJFSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)c2c(C)csc2Cl)C1 ZINC000980274004 613618475 /nfs/dbraw/zinc/61/84/75/613618475.db2.gz FZHLCMCBZNAYAK-LLVKDONJSA-N 1 1 298.839 3.042 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)c2cc(C)ccc2C2CC2)C1 ZINC000972005522 613619764 /nfs/dbraw/zinc/61/97/64/613619764.db2.gz MPKGRJSSZXURLG-MRXNPFEDSA-N 1 1 298.430 3.205 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1cc(C)oc1C ZINC000968751297 613686914 /nfs/dbraw/zinc/68/69/14/613686914.db2.gz ZWTKSBONORIOTN-HNNXBMFYSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2csc(Cl)c2)C1 ZINC000968385741 613731555 /nfs/dbraw/zinc/73/15/55/613731555.db2.gz ARUOBELKUUJNTH-PWSUYJOCSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)C2(F)CCCCC2)C(C)(C)C1 ZINC000941145099 613741212 /nfs/dbraw/zinc/74/12/12/613741212.db2.gz KRRDAESCSBSLSU-CQSZACIVSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cc3ccccc3o2)C[C@H]1C ZINC000948001724 613750639 /nfs/dbraw/zinc/75/06/39/613750639.db2.gz DVKZGPYYRBXOLZ-UKRRQHHQSA-N 1 1 298.386 3.202 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2CCCCCC2)C[C@@H]1C ZINC000947129597 613780855 /nfs/dbraw/zinc/78/08/55/613780855.db2.gz CQGJBBBVXSPQFW-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)CC2=CCCCC2)C(C)(C)C1 ZINC000940632547 613780921 /nfs/dbraw/zinc/78/09/21/613780921.db2.gz KRSGWOWRFSYIKB-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc3occc3c2)C[C@H]1C ZINC000947334759 613791371 /nfs/dbraw/zinc/79/13/71/613791371.db2.gz RRMQTXNUINXJOF-CJNGLKHVSA-N 1 1 298.386 3.202 20 30 CGEDMO C=C(C)CNN=C(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000811651079 617659979 /nfs/dbraw/zinc/65/99/79/617659979.db2.gz GICWYXURNZMOMV-KRWDZBQOSA-N 1 1 271.408 3.050 20 30 CGEDMO CCCCCCCC[C@@H]([NH3+])c1nc(-c2cnccn2)no1 ZINC000900005131 620744648 /nfs/dbraw/zinc/74/46/48/620744648.db2.gz ZTAGTOXATHXFAN-GFCCVEGCSA-N 1 1 289.383 3.277 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccccc2F)no1 ZINC000900016122 620746927 /nfs/dbraw/zinc/74/69/27/620746927.db2.gz JFEITEKZNKGDMV-GFCCVEGCSA-N 1 1 261.300 3.232 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC(C)(C)C)C1 ZINC001021522733 618021678 /nfs/dbraw/zinc/02/16/78/618021678.db2.gz ITOHENAGKSHCGI-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO CCCCCCC[C@H](C)CNC(=O)Cc1cnc[nH]1 ZINC000900310520 620778829 /nfs/dbraw/zinc/77/88/29/620778829.db2.gz HJAYKFQJNGCWIJ-ZDUSSCGKSA-N 1 1 265.401 3.065 20 30 CGEDMO C=CC1(CC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CCCCC1 ZINC000933447125 618233038 /nfs/dbraw/zinc/23/30/38/618233038.db2.gz UVPGYQZUNCEKHM-CVEARBPZSA-N 1 1 292.467 3.454 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1nccc2c1CCCC2 ZINC000891604931 618241330 /nfs/dbraw/zinc/24/13/30/618241330.db2.gz UCNGTOKHXOWPJS-UHFFFAOYSA-N 1 1 291.398 3.464 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CCCSC[C@H]1C1CC1 ZINC000933916331 618375746 /nfs/dbraw/zinc/37/57/46/618375746.db2.gz QCBVUENTWLGCRA-INIZCTEOSA-N 1 1 290.407 3.415 20 30 CGEDMO C[N@H+]1CCCC[C@H]1CCC(=O)Nc1ccc(CCC#N)cc1 ZINC000900661881 620804885 /nfs/dbraw/zinc/80/48/85/620804885.db2.gz COEAYOFUALUHNB-KRWDZBQOSA-N 1 1 299.418 3.346 20 30 CGEDMO C#CCCOc1ccc(C[N@H+](C)[C@@H](C)C2CC2)cc1 ZINC000158076164 618457776 /nfs/dbraw/zinc/45/77/76/618457776.db2.gz HTXPKQBTGJUDSY-AWEZNQCLSA-N 1 1 257.377 3.319 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCCSC[C@H]1C ZINC000934298416 618581063 /nfs/dbraw/zinc/58/10/63/618581063.db2.gz GERIOZJPOVVUHA-CYBMUJFWSA-N 1 1 260.406 3.194 20 30 CGEDMO CS[C@H]1CCCC[N@@H+](Cc2csc(C#N)c2)C1 ZINC000892231761 618608851 /nfs/dbraw/zinc/60/88/51/618608851.db2.gz FARUPRDWVWVUFD-LBPRGKRZSA-N 1 1 266.435 3.337 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1nc2cc(Cl)ccc2n1C ZINC000934468148 618626729 /nfs/dbraw/zinc/62/67/29/618626729.db2.gz USBCNZCMTMZHAZ-LBPRGKRZSA-N 1 1 275.783 3.377 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1nc2cc(Cl)ccc2n1C ZINC000934468148 618626732 /nfs/dbraw/zinc/62/67/32/618626732.db2.gz USBCNZCMTMZHAZ-LBPRGKRZSA-N 1 1 275.783 3.377 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1cnc2c(cnn2C(C)C)c1 ZINC000934468516 618626784 /nfs/dbraw/zinc/62/67/84/618626784.db2.gz FXURZDFYMXPBTP-HNNXBMFYSA-N 1 1 270.380 3.163 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1ccc(C)cc1F ZINC000934472541 618628542 /nfs/dbraw/zinc/62/85/42/618628542.db2.gz SGXBNGPELLXKFW-QWHCGFSZSA-N 1 1 276.355 3.112 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1ccc(C)cc1F ZINC000934472541 618628544 /nfs/dbraw/zinc/62/85/44/618628544.db2.gz SGXBNGPELLXKFW-QWHCGFSZSA-N 1 1 276.355 3.112 20 30 CGEDMO C#C[C@H](CC)[NH2+]Cc1c(F)cccc1Br ZINC000309096269 618632606 /nfs/dbraw/zinc/63/26/06/618632606.db2.gz DYWNTUOXMIXIKM-SECBINFHSA-N 1 1 270.145 3.090 20 30 CGEDMO COc1cc([C@@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)on1 ZINC000926598481 618758068 /nfs/dbraw/zinc/75/80/68/618758068.db2.gz AVOIZOYZGWTAEA-IAQYHMDHSA-N 1 1 297.358 3.283 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+]1CCC[C@H]1c1cccn1C ZINC000179707937 618799335 /nfs/dbraw/zinc/79/93/35/618799335.db2.gz BQAGAOHGELPZQB-SFHVURJKSA-N 1 1 294.398 3.374 20 30 CGEDMO CC(C)CCC(N)=[NH+]OCc1cccc2cccnc21 ZINC000066374402 618846904 /nfs/dbraw/zinc/84/69/04/618846904.db2.gz TUZXIOCNFPDGDP-UHFFFAOYSA-N 1 1 271.364 3.460 20 30 CGEDMO NC(CCc1ccccc1)=[NH+]OCc1ccc([N+](=O)[O-])cc1 ZINC000066374247 618847035 /nfs/dbraw/zinc/84/70/35/618847035.db2.gz HOQPJQFHAXHRNG-UHFFFAOYSA-N 1 1 299.330 3.016 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[C@@H]1C ZINC001017861459 618886926 /nfs/dbraw/zinc/88/69/26/618886926.db2.gz VHXOTPPDEHXSTJ-NXOAAHMSSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[C@@H]1C ZINC001017861459 618886927 /nfs/dbraw/zinc/88/69/27/618886927.db2.gz VHXOTPPDEHXSTJ-NXOAAHMSSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CCCCC1 ZINC001017883018 618890362 /nfs/dbraw/zinc/89/03/62/618890362.db2.gz YUVIGDZYIXVXOX-IYBDPMFKSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CCCCC1 ZINC001017883018 618890363 /nfs/dbraw/zinc/89/03/63/618890363.db2.gz YUVIGDZYIXVXOX-IYBDPMFKSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[C@H]([NH2+]Cc1ccc(OCC)o1)c1ccncc1 ZINC000892972283 618967478 /nfs/dbraw/zinc/96/74/78/618967478.db2.gz IHQKYXCAKYODRE-HNNXBMFYSA-N 1 1 272.348 3.480 20 30 CGEDMO CC(C)([NH2+]Cc1cncc(C#N)c1)c1ccccc1F ZINC000930554921 619016555 /nfs/dbraw/zinc/01/65/55/619016555.db2.gz QNOSEKDACCQMHO-UHFFFAOYSA-N 1 1 269.323 3.117 20 30 CGEDMO CS[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000930610126 619032121 /nfs/dbraw/zinc/03/21/21/619032121.db2.gz OWHISNCBGFVYDM-ZDUSSCGKSA-N 1 1 266.797 3.149 20 30 CGEDMO C#CCOc1ccc(C[N@@H+](C)Cc2ccoc2C)cc1 ZINC000092438685 619090923 /nfs/dbraw/zinc/09/09/23/619090923.db2.gz PUSQJOHHWYXGHK-UHFFFAOYSA-N 1 1 269.344 3.232 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cn(CC)nc1C ZINC000893419739 619170241 /nfs/dbraw/zinc/17/02/41/619170241.db2.gz HVBXSJRURVTXAJ-UHFFFAOYSA-N 1 1 273.380 3.035 20 30 CGEDMO C[N@@H+](CCCCC1(C#N)CCC1)[C@@H]1CCC[C@H]1C#N ZINC000931473872 619179091 /nfs/dbraw/zinc/17/90/91/619179091.db2.gz BXHORUBICIUMHI-LSDHHAIUSA-N 1 1 259.397 3.475 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000075866397 619223816 /nfs/dbraw/zinc/22/38/16/619223816.db2.gz ZFTJZWKZUBLKPM-HNNXBMFYSA-N 1 1 265.784 3.278 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCSCC[C@@H]2C)cc1 ZINC000191821312 619443546 /nfs/dbraw/zinc/44/35/46/619443546.db2.gz CAOJPCPLDJWFPU-KBPBESRZSA-N 1 1 290.432 3.305 20 30 CGEDMO N#CCCc1ccc(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)cc1 ZINC000928399558 619515547 /nfs/dbraw/zinc/51/55/47/619515547.db2.gz RKQDMNOCLUTHCD-IAGOWNOFSA-N 1 1 297.402 3.098 20 30 CGEDMO CC[C@H](CSC)[N@@H+](C)Cc1csc(C#N)c1 ZINC000894495986 619555027 /nfs/dbraw/zinc/55/50/27/619555027.db2.gz NYDWVANABVAEJH-LLVKDONJSA-N 1 1 254.424 3.193 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cnc2onc(C)c2c1 ZINC000894584201 619582591 /nfs/dbraw/zinc/58/25/91/619582591.db2.gz RAUACLRWXALOGS-CYBMUJFWSA-N 1 1 257.337 3.072 20 30 CGEDMO CO[C@@H]1C[C@H]([N@@H+](C)Cc2csc(C#N)c2)C12CCC2 ZINC000894753843 619623236 /nfs/dbraw/zinc/62/32/36/619623236.db2.gz NUIGAESNTUGHLM-UONOGXRCSA-N 1 1 276.405 3.009 20 30 CGEDMO C#Cc1cccc(C[NH2+]Cc2nc(C)c(C)s2)c1 ZINC000894776431 619629358 /nfs/dbraw/zinc/62/93/58/619629358.db2.gz WNSDDGLLGYTEQX-UHFFFAOYSA-N 1 1 256.374 3.031 20 30 CGEDMO CCCCC(N)=[NH+]OCc1coc(-c2ccccc2)n1 ZINC000049066186 619679483 /nfs/dbraw/zinc/67/94/83/619679483.db2.gz IREBCFYUCQRFBW-UHFFFAOYSA-N 1 1 273.336 3.321 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](C/C=C\c2cccc(F)c2)C1 ZINC000895229174 619786324 /nfs/dbraw/zinc/78/63/24/619786324.db2.gz SLCOIVUIEYNSOZ-PRSOIBJXSA-N 1 1 258.340 3.465 20 30 CGEDMO COCCCC1(C[N@H+]2CCC[C@H](CC#N)C2)CCC1 ZINC000895314014 619804117 /nfs/dbraw/zinc/80/41/17/619804117.db2.gz PUXXWWNVYLMVSC-OAHLLOKOSA-N 1 1 264.413 3.209 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2c(Cl)c(C)nn2C)C1 ZINC000895337043 619806974 /nfs/dbraw/zinc/80/69/74/619806974.db2.gz CXRCOGRXDGBJDB-LBPRGKRZSA-N 1 1 267.804 3.170 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2cccc3[nH]c(=O)oc32)C1 ZINC000895337351 619807463 /nfs/dbraw/zinc/80/74/63/619807463.db2.gz ITABKQVPVBFICQ-LBPRGKRZSA-N 1 1 272.348 3.322 20 30 CGEDMO C[C@H](c1ccccc1)[NH+]1CCN(C[C@@H](C)CCC#N)CC1 ZINC000895551272 619848196 /nfs/dbraw/zinc/84/81/96/619848196.db2.gz HRZGWCDQXUHJKK-DLBZAZTESA-N 1 1 285.435 3.305 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CC[C@H](c3nccs3)C2)cc1 ZINC000895581262 619856322 /nfs/dbraw/zinc/85/63/22/619856322.db2.gz MVTSUVNNBSMZHC-HNNXBMFYSA-N 1 1 268.385 3.114 20 30 CGEDMO Cc1cc(C[N@@H+](C)CCc2cccc(C#N)c2)cnc1F ZINC000895785047 619885306 /nfs/dbraw/zinc/88/53/06/619885306.db2.gz BOFWBMNGBICLLN-UHFFFAOYSA-N 1 1 283.350 3.075 20 30 CGEDMO CCC1([NH+]2CCC2)CCN(CC(C)(C)CCC#N)CC1 ZINC000895827468 619889206 /nfs/dbraw/zinc/88/92/06/619889206.db2.gz KTWLZFPTHSOFHM-UHFFFAOYSA-N 1 1 277.456 3.267 20 30 CGEDMO C=CCC1(O)CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000895833647 619894829 /nfs/dbraw/zinc/89/48/29/619894829.db2.gz BRVPFBGAEHWWMJ-UHFFFAOYSA-N 1 1 299.773 3.088 20 30 CGEDMO C[C@@H](CCc1cccc(F)c1)[N@H+]1CCC[C@H](C#N)C1 ZINC000896503732 620018168 /nfs/dbraw/zinc/01/81/68/620018168.db2.gz MIAGDVZZCHXDST-DZGCQCFKSA-N 1 1 260.356 3.382 20 30 CGEDMO CC(C)(/C=C/Cl)[NH2+]Cc1cc(C#N)cnc1Cl ZINC000896747421 620055833 /nfs/dbraw/zinc/05/58/33/620055833.db2.gz LODNQQXTJWYULA-ONEGZZNKSA-N 1 1 270.163 3.227 20 30 CGEDMO C[C@H]1Cc2cc(C[NH2+]Cc3cccc(F)c3C#N)ccc2O1 ZINC000896829108 620072714 /nfs/dbraw/zinc/07/27/14/620072714.db2.gz NQKJUMNDWNTFMO-LBPRGKRZSA-N 1 1 296.345 3.311 20 30 CGEDMO CN(C)c1[nH+]cc(/C=C/C(=O)c2cccc(C3CC3)c2)n1C ZINC000840719663 620187876 /nfs/dbraw/zinc/18/78/76/620187876.db2.gz KJFPAPUWBZPXJT-MDZDMXLPSA-N 1 1 295.386 3.260 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)[C@@H](C)[C@H]1C ZINC000842165993 620190691 /nfs/dbraw/zinc/19/06/91/620190691.db2.gz HFUBSURNCCRUGS-RDBSUJKOSA-N 1 1 258.365 3.065 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)C[C@H]2CC[C@H](C)C2)CC1 ZINC000985584230 620215915 /nfs/dbraw/zinc/21/59/15/620215915.db2.gz GPHYUAMNVZSHKC-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@H]2CCC2(C)C)CC1 ZINC000985591920 620218331 /nfs/dbraw/zinc/21/83/31/620218331.db2.gz VWMGRUBIONFHLT-CQSZACIVSA-N 1 1 298.858 3.098 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)c2cc(Cl)cs2)CC1 ZINC000985685609 620229676 /nfs/dbraw/zinc/22/96/76/620229676.db2.gz HSOJJTUJJSDJMP-UHFFFAOYSA-N 1 1 298.839 3.124 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000862445118 620298834 /nfs/dbraw/zinc/29/88/34/620298834.db2.gz MDHAVKCNRNNAAT-LLVKDONJSA-N 1 1 296.183 3.433 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)cs1)C[C@]1(C)CCCS1 ZINC000897624582 620412414 /nfs/dbraw/zinc/41/24/14/620412414.db2.gz PZYRFFNMFVPTGA-ZDUSSCGKSA-N 1 1 266.435 3.337 20 30 CGEDMO C[C@H](CC(C)(C)C#N)[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000897942660 620452894 /nfs/dbraw/zinc/45/28/94/620452894.db2.gz QAVWMYYCWLCKQV-LLVKDONJSA-N 1 1 263.385 3.390 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000898071354 620477321 /nfs/dbraw/zinc/47/73/21/620477321.db2.gz JESHRTHWXSDHLL-ZDUSSCGKSA-N 1 1 277.437 3.337 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000898119191 620480288 /nfs/dbraw/zinc/48/02/88/620480288.db2.gz JLGQHPZHYLHEDL-AWEZNQCLSA-N 1 1 282.391 3.448 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000898245868 620496600 /nfs/dbraw/zinc/49/66/00/620496600.db2.gz INGBQONAGOGNFP-UHFFFAOYSA-N 1 1 286.419 3.367 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)c2cc(C)cc(C)c2)CC1 ZINC000989553820 620517338 /nfs/dbraw/zinc/51/73/38/620517338.db2.gz JMYPZLDNSPCMKI-UHFFFAOYSA-N 1 1 286.419 3.027 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)c3cccc(C)c3)CCC[C@@H]12 ZINC000989911826 620531423 /nfs/dbraw/zinc/53/14/23/620531423.db2.gz CAMNCNLSMPNGDW-IEBWSBKVSA-N 1 1 298.430 3.298 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)c3ccsc3)CCC[C@@H]12 ZINC000989940304 620532613 /nfs/dbraw/zinc/53/26/13/620532613.db2.gz RWNNDPTVONUGOK-ZBFHGGJFSA-N 1 1 290.432 3.051 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)C3CCCCCC3)CCC[C@@H]12 ZINC000990030858 620535036 /nfs/dbraw/zinc/53/50/36/620535036.db2.gz MIPYFEYVMMKFPE-AEFFLSMTSA-N 1 1 290.451 3.256 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC3(C)C)CCC[C@H]12 ZINC000990275709 620539827 /nfs/dbraw/zinc/53/98/27/620539827.db2.gz HLRVIASWYSBQAE-VKJFTORMSA-N 1 1 290.451 3.112 20 30 CGEDMO CC[C@@H](N[C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc(C#N)cc1 ZINC000902434872 621317181 /nfs/dbraw/zinc/31/71/81/621317181.db2.gz PJQNSSWHVVEARB-GUDVDZBRSA-N 1 1 291.398 3.224 20 30 CGEDMO C[C@H]([NH2+][C@H]1CCCc2occc21)c1cc(C#N)ccn1 ZINC000902741567 621421524 /nfs/dbraw/zinc/42/15/24/621421524.db2.gz DMYYBPPVHKTXDL-FZMZJTMJSA-N 1 1 267.332 3.274 20 30 CGEDMO C[C@H]([NH2+][C@@H]1CCCc2occc21)c1cc(C#N)ccn1 ZINC000902741569 621421805 /nfs/dbraw/zinc/42/18/05/621421805.db2.gz DMYYBPPVHKTXDL-SMDDNHRTSA-N 1 1 267.332 3.274 20 30 CGEDMO C[C@@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1cccc([N+](=O)[O-])c1 ZINC000902766553 621432231 /nfs/dbraw/zinc/43/22/31/621432231.db2.gz NBQGBQCXERNWBG-NEPJUHHUSA-N 1 1 296.330 3.273 20 30 CGEDMO C[C@H]([NH2+][C@@H]1CSc2ccccc21)c1cc(C#N)ccn1 ZINC000902809256 621442127 /nfs/dbraw/zinc/44/21/27/621442127.db2.gz RAPSVFAKSUUWIT-XHDPSFHLSA-N 1 1 281.384 3.451 20 30 CGEDMO COCc1cc(C[NH2+][C@H](C)c2cc(C#N)ccn2)ccc1F ZINC000902808487 621443953 /nfs/dbraw/zinc/44/39/53/621443953.db2.gz JLQRPJJWJLFAPS-GFCCVEGCSA-N 1 1 299.349 3.090 20 30 CGEDMO CCCCn1cc(C[NH2+][C@@H](C)c2cc(C#N)ccn2)c(C)n1 ZINC000902895064 621488405 /nfs/dbraw/zinc/48/84/05/621488405.db2.gz SGWGWECVXDDAMQ-AWEZNQCLSA-N 1 1 297.406 3.109 20 30 CGEDMO CC(C)(C#N)C[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000903100555 621573431 /nfs/dbraw/zinc/57/34/31/621573431.db2.gz SMGBHUNVPQKTHU-CYBMUJFWSA-N 1 1 262.328 3.179 20 30 CGEDMO CCC[C@H]([NH2+]CC1(C#N)CC1)c1cccc([N+](=O)[O-])c1 ZINC000903102094 621575276 /nfs/dbraw/zinc/57/52/76/621575276.db2.gz SCABFKJBBRWLSS-AWEZNQCLSA-N 1 1 273.336 3.329 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000903108298 621581407 /nfs/dbraw/zinc/58/14/07/621581407.db2.gz RDYAPCZAKDOCCL-GFCCVEGCSA-N 1 1 273.336 3.329 20 30 CGEDMO COc1ccsc1[C@@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000903109469 621582785 /nfs/dbraw/zinc/58/27/85/621582785.db2.gz PMYVGQBZIUZOSK-LLVKDONJSA-N 1 1 264.394 3.491 20 30 CGEDMO N#CC1(C[NH2+][C@H](c2ccccn2)C2CC2)CCCC1 ZINC000903218344 621633336 /nfs/dbraw/zinc/63/33/36/621633336.db2.gz BDUIMAKWCFXOMT-HNNXBMFYSA-N 1 1 255.365 3.206 20 30 CGEDMO C[C@@H](Nc1cccc(C2CC2)[nH+]1)c1cc(C#N)ccn1 ZINC000903268743 621655376 /nfs/dbraw/zinc/65/53/76/621655376.db2.gz TWTGBHPEWDVNMQ-LLVKDONJSA-N 1 1 264.332 3.399 20 30 CGEDMO C[C@@H](NCC[N@H+]1CCC(C)(C)C1)c1ccc(C#N)cc1F ZINC000903344594 621698050 /nfs/dbraw/zinc/69/80/50/621698050.db2.gz QVOZYQREFFKIBF-CYBMUJFWSA-N 1 1 289.398 3.080 20 30 CGEDMO C[C@@H]([NH2+]CCN1CCC(C)(C)C1)c1ccc(C#N)cc1F ZINC000903344594 621698053 /nfs/dbraw/zinc/69/80/53/621698053.db2.gz QVOZYQREFFKIBF-CYBMUJFWSA-N 1 1 289.398 3.080 20 30 CGEDMO N#CC1(CCCCN2CCCCC[C@H]([NH3+])C2)CCC1 ZINC000903775596 621805543 /nfs/dbraw/zinc/80/55/43/621805543.db2.gz MQBNFZGENGYDFL-HNNXBMFYSA-N 1 1 263.429 3.054 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCCCC[C@H](N)C2)CCC1 ZINC000903775596 621805545 /nfs/dbraw/zinc/80/55/45/621805545.db2.gz MQBNFZGENGYDFL-HNNXBMFYSA-N 1 1 263.429 3.054 20 30 CGEDMO N#CC1(CCCC[N@@H+]2CCCCC[C@H](N)C2)CCC1 ZINC000903775596 621805547 /nfs/dbraw/zinc/80/55/47/621805547.db2.gz MQBNFZGENGYDFL-HNNXBMFYSA-N 1 1 263.429 3.054 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccccc2OCC)no1 ZINC000904538922 621933024 /nfs/dbraw/zinc/93/30/24/621933024.db2.gz QTIZTGTYQUPHRS-ZDUSSCGKSA-N 1 1 287.363 3.491 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccc(COC)cc2)no1 ZINC000904566302 621938705 /nfs/dbraw/zinc/93/87/05/621938705.db2.gz RRZZHRLICTZZOT-AWEZNQCLSA-N 1 1 287.363 3.239 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(-c2cc3[nH]cnc3c(C)c2)no1 ZINC000904613477 621946119 /nfs/dbraw/zinc/94/61/19/621946119.db2.gz VAJZPSMGMKRISZ-LBPRGKRZSA-N 1 1 297.362 3.277 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccc(C)cc2OC)no1 ZINC000904709203 621960553 /nfs/dbraw/zinc/96/05/53/621960553.db2.gz UAHIDOWTRVVLHL-CYBMUJFWSA-N 1 1 287.363 3.410 20 30 CGEDMO CCCCCCCC(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000174528317 622367477 /nfs/dbraw/zinc/36/74/77/622367477.db2.gz YAUMCNDEOFONGE-HNNXBMFYSA-N 1 1 268.445 3.147 20 30 CGEDMO CC(C)OCCC[N@@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000769461849 625570112 /nfs/dbraw/zinc/57/01/12/625570112.db2.gz ABRLGUZFZWNEFF-HNNXBMFYSA-N 1 1 290.407 3.224 20 30 CGEDMO CC(C)C[N@H+](CCC#N)CCCOc1ccccc1 ZINC000059167804 622997466 /nfs/dbraw/zinc/99/74/66/622997466.db2.gz LWNFALHHLGNNNG-UHFFFAOYSA-N 1 1 260.381 3.327 20 30 CGEDMO C=CCn1c(C)nn(C[N@@H+]2C[C@H](C)CCC[C@@H]2C)c1=S ZINC000172918638 623297973 /nfs/dbraw/zinc/29/79/73/623297973.db2.gz PCWGJKLWTIPUMC-OLZOCXBDSA-N 1 1 294.468 3.377 20 30 CGEDMO C=CCn1c(C)nn(C[N@H+]2C[C@H](C)CCC[C@@H]2C)c1=S ZINC000172918638 623297981 /nfs/dbraw/zinc/29/79/81/623297981.db2.gz PCWGJKLWTIPUMC-OLZOCXBDSA-N 1 1 294.468 3.377 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCCC3(C)C)CCC[C@H]12 ZINC000992120954 623441098 /nfs/dbraw/zinc/44/10/98/623441098.db2.gz VJNDZNBMUFDBLB-RVKKMQEKSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3CCC)CCC[C@H]12 ZINC000992186562 623466614 /nfs/dbraw/zinc/46/66/14/623466614.db2.gz IBMWGADZXFYKIA-CBZIJGRNSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2coc3cc(C)c(C)cc23)C1 ZINC001015400649 623735714 /nfs/dbraw/zinc/73/57/14/623735714.db2.gz XXLGOVNXCHZKKR-CQSZACIVSA-N 1 1 298.386 3.040 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C)o2)[C@@H]1C ZINC000993003751 623784121 /nfs/dbraw/zinc/78/41/21/623784121.db2.gz LLSDQUHMMCKPBX-LSDHHAIUSA-N 1 1 290.407 3.137 20 30 CGEDMO CCc1ccccc1N[NH+]=Cc1cnc(N2CCCC2)nc1 ZINC000915051577 623890489 /nfs/dbraw/zinc/89/04/89/623890489.db2.gz HZJDEFLZGKRTRX-UHFFFAOYSA-N 1 1 295.390 3.085 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)cs2)[C@H]1C ZINC000993307632 624004979 /nfs/dbraw/zinc/00/49/79/624004979.db2.gz HACJVWSAZSAYBT-ZIAGYGMSSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)coc2C)[C@H]1C ZINC000993307185 624005011 /nfs/dbraw/zinc/00/50/11/624005011.db2.gz CMVOHIAKOVZSBE-UKRRQHHQSA-N 1 1 290.407 3.055 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C(C)=C2CCC2)[C@H]1C ZINC000993320028 624019645 /nfs/dbraw/zinc/01/96/45/624019645.db2.gz WWZICAOWRUPTMI-NVXWUHKLSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C2(C3CC3)CC2)[C@@H]1C ZINC000993471437 624052396 /nfs/dbraw/zinc/05/23/96/624052396.db2.gz CYXKLRBCUGETSO-HOCLYGCPSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C2(C)CCCC2)[C@H]1C ZINC000993637828 624055619 /nfs/dbraw/zinc/05/56/19/624055619.db2.gz VCYYBKRJCYKMON-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C2(C)CCC2)[C@@H]1C ZINC000993679552 624057899 /nfs/dbraw/zinc/05/78/99/624057899.db2.gz XQCVLOUAFGWLSJ-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C2CC3(CCC3)C2)[C@@H]1C ZINC000993714375 624058519 /nfs/dbraw/zinc/05/85/19/624058519.db2.gz ZKNXNLNZZCHAMG-HOCLYGCPSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2cocc2C)[C@H]1C ZINC000993701209 624059059 /nfs/dbraw/zinc/05/90/59/624059059.db2.gz MPVPLXLOXCPXIN-ZBFHGGJFSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](CCC3CC3)[C@H]2C)C1 ZINC000993793594 624062370 /nfs/dbraw/zinc/06/23/70/624062370.db2.gz UUKCNLRFAFEWNR-GOEBONIOSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C=C)cc2)[C@@H]1C ZINC000993817770 624063934 /nfs/dbraw/zinc/06/39/34/624063934.db2.gz CMBAUNFNXQMSEU-YJBOKZPZSA-N 1 1 298.430 3.488 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)c2cc(Cl)cs2)[C@H]1C ZINC000993913066 624065470 /nfs/dbraw/zinc/06/54/70/624065470.db2.gz FFGLQONHMURKJN-ZYHUDNBSSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(Cl)cs2)[C@H]1C ZINC000993913066 624065472 /nfs/dbraw/zinc/06/54/72/624065472.db2.gz FFGLQONHMURKJN-ZYHUDNBSSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccoc2CCC)[C@@H]1C ZINC000994227643 624071782 /nfs/dbraw/zinc/07/17/82/624071782.db2.gz HYOQVPLEQDAJPR-DZGCQCFKSA-N 1 1 290.407 3.001 20 30 CGEDMO CC(=[NH+]NCc1ccc(F)c(F)c1)c1ccc(N)cc1 ZINC000915975939 624087988 /nfs/dbraw/zinc/08/79/88/624087988.db2.gz YILMCSZDUMQBDR-UHFFFAOYSA-N 1 1 275.302 3.061 20 30 CGEDMO CC(=[NH+]Nc1ccc(C#N)cc1)c1ccc(N(C)C)cc1 ZINC000915963361 624091270 /nfs/dbraw/zinc/09/12/70/624091270.db2.gz ZTUWGSBUFBXHRT-UHFFFAOYSA-N 1 1 278.359 3.460 20 30 CGEDMO C=CC[N@H+](CCC(=O)Nc1ccccc1F)C(C)C ZINC000917068803 624233181 /nfs/dbraw/zinc/23/31/81/624233181.db2.gz CDOVMSZYQVSJMH-UHFFFAOYSA-N 1 1 264.344 3.051 20 30 CGEDMO CN1CC[N@@H+](CC2CCC(C#N)CC2)[C@H](c2ccccc2)C1 ZINC000930107836 624433945 /nfs/dbraw/zinc/43/39/45/624433945.db2.gz BZRIQCQZEXFOOA-TVPLGVNVSA-N 1 1 297.446 3.305 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)Cc1cc2c(cc1O)CCC2 ZINC000919944760 624434302 /nfs/dbraw/zinc/43/43/02/624434302.db2.gz OQMIAKRJHYNDMJ-UHFFFAOYSA-N 1 1 272.392 3.253 20 30 CGEDMO CCCN(CCC)c1ccc(C[NH2+]CCC#N)cc1 ZINC000920956578 624557084 /nfs/dbraw/zinc/55/70/84/624557084.db2.gz BGFKJRZWIUWXEF-UHFFFAOYSA-N 1 1 259.397 3.316 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCn3cccc3[C@@H]2C)cc1 ZINC000179567073 624665634 /nfs/dbraw/zinc/66/56/34/624665634.db2.gz AOMWHPHZKKUFBP-HNNXBMFYSA-N 1 1 280.371 3.077 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCn3cccc3[C@@H]2C)cc1 ZINC000179567073 624665637 /nfs/dbraw/zinc/66/56/37/624665637.db2.gz AOMWHPHZKKUFBP-HNNXBMFYSA-N 1 1 280.371 3.077 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cccn2C)cc1 ZINC000179707662 624678375 /nfs/dbraw/zinc/67/83/75/624678375.db2.gz NEVASKMFHVWTHY-LJQANCHMSA-N 1 1 294.398 3.374 20 30 CGEDMO C#CC[N@@H+](Cc1cn(C)nc1CC)[C@@H]1CCc2ccccc21 ZINC000183387807 625069152 /nfs/dbraw/zinc/06/91/52/625069152.db2.gz PELRSMHESCEFGS-LJQANCHMSA-N 1 1 293.414 3.105 20 30 CGEDMO C#CC[N@H+](Cc1cn(C)nc1CC)[C@@H]1CCc2ccccc21 ZINC000183387807 625069161 /nfs/dbraw/zinc/06/91/61/625069161.db2.gz PELRSMHESCEFGS-LJQANCHMSA-N 1 1 293.414 3.105 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2cocc2C)CC1 ZINC000998085125 625786555 /nfs/dbraw/zinc/78/65/55/625786555.db2.gz QDGZUECXLHCUSC-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)c2ccsc2)CC1 ZINC001000419589 625871149 /nfs/dbraw/zinc/87/11/49/625871149.db2.gz GOJZEFXJVMZSFV-UHFFFAOYSA-N 1 1 290.432 3.076 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)c2ccccc2CC)CC1 ZINC001001098016 625889532 /nfs/dbraw/zinc/88/95/32/625889532.db2.gz XEMCQESXDCNVCK-UHFFFAOYSA-N 1 1 298.430 3.187 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCCC[C@@H]2CC)CC1 ZINC001001325967 625895176 /nfs/dbraw/zinc/89/51/76/625895176.db2.gz LJPIGUJWGHHXKP-IRXDYDNUSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)c2cccc(C(C)C)c2)CC1 ZINC001001337393 625895261 /nfs/dbraw/zinc/89/52/61/625895261.db2.gz FGLWJHWHMNRMMP-UHFFFAOYSA-N 1 1 298.430 3.358 20 30 CGEDMO CCn1ccnc1[C@H](C)[NH2+]Cc1c(C)cc(C#N)cc1C ZINC000922164341 625977515 /nfs/dbraw/zinc/97/75/15/625977515.db2.gz KHXHSIDFJBNLPB-AWEZNQCLSA-N 1 1 282.391 3.242 20 30 CGEDMO Cc1nccc([C@H]2CCC[N@@H+](CC3CCC(C#N)CC3)C2)n1 ZINC000929294018 626000509 /nfs/dbraw/zinc/00/05/09/626000509.db2.gz BOXONRXLXUTSLB-JCYILVPMSA-N 1 1 298.434 3.294 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)/C(C)=C\C)CC1 ZINC001004402582 626047089 /nfs/dbraw/zinc/04/70/89/626047089.db2.gz QAVGEZPXAKMSIY-DBCFMDJHSA-N 1 1 290.451 3.232 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CCCC3(CC3)C2)cc1 ZINC000186628217 626064700 /nfs/dbraw/zinc/06/47/00/626064700.db2.gz WMYSATBSTDPYPK-UHFFFAOYSA-N 1 1 269.388 3.465 20 30 CGEDMO CCc1[nH+]c(C=NOC2CCCC2)c2ccccn21 ZINC000774608520 626178420 /nfs/dbraw/zinc/17/84/20/626178420.db2.gz PAMOHFICKHEPEC-UHFFFAOYSA-N 1 1 257.337 3.190 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@H](O)C1CC1 ZINC000838783336 626253504 /nfs/dbraw/zinc/25/35/04/626253504.db2.gz GJAHOKALJYWXAI-LBPRGKRZSA-N 1 1 271.813 3.160 20 30 CGEDMO C#CC[N@H+](Cc1ccc(O)c(OCC)c1)C1CCCC1 ZINC000838853701 626269434 /nfs/dbraw/zinc/26/94/34/626269434.db2.gz JLNSJEXAXGMYPI-UHFFFAOYSA-N 1 1 273.376 3.169 20 30 CGEDMO Fc1ccccc1N=NC1CC[N@@H+](Cc2ccccc2)C1 ZINC000839411364 626345898 /nfs/dbraw/zinc/34/58/98/626345898.db2.gz JCTWAINRVQLGAF-UHFFFAOYSA-N 1 1 283.350 3.500 20 30 CGEDMO C=C(Cl)C[N@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000103479860 626355124 /nfs/dbraw/zinc/35/51/24/626355124.db2.gz PKUGNGXAJTZIIX-OAHLLOKOSA-N 1 1 265.784 3.111 20 30 CGEDMO C=C(Br)C[N@@H+](C)[C@H]1C[C@@](C)(OC)C1(C)C ZINC000752074515 626417762 /nfs/dbraw/zinc/41/77/62/626417762.db2.gz DZWXOYNKCWXYMI-CMPLNLGQSA-N 1 1 276.218 3.030 20 30 CGEDMO C=C(Br)C[N@H+](C)[C@H]1C[C@@](C)(OC)C1(C)C ZINC000752074515 626417765 /nfs/dbraw/zinc/41/77/65/626417765.db2.gz DZWXOYNKCWXYMI-CMPLNLGQSA-N 1 1 276.218 3.030 20 30 CGEDMO C#CC[N@@H+](Cc1ncc(CC)s1)C1CCCCC1 ZINC000753529158 626454190 /nfs/dbraw/zinc/45/41/90/626454190.db2.gz CQZPXLHAXWZJKN-UHFFFAOYSA-N 1 1 262.422 3.473 20 30 CGEDMO C#CC[N@H+](Cc1ncc(CC)s1)C1CCCCC1 ZINC000753529158 626454191 /nfs/dbraw/zinc/45/41/91/626454191.db2.gz CQZPXLHAXWZJKN-UHFFFAOYSA-N 1 1 262.422 3.473 20 30 CGEDMO C[C@H]1CC(N=Nc2cc(C(F)(F)F)ccc2F)C[N@H+]1C ZINC000753946964 626469678 /nfs/dbraw/zinc/46/96/78/626469678.db2.gz MOELIRPXKCVURF-QMMMGPOBSA-N 1 1 289.276 3.336 20 30 CGEDMO C[C@@H]1CC(N=Nc2cccc(C(F)(F)F)n2)C[N@H+]1C1CC1 ZINC000753959640 626470149 /nfs/dbraw/zinc/47/01/49/626470149.db2.gz MORXQYCBVVBYJC-SECBINFHSA-N 1 1 298.312 3.125 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1ccnc(N(C)C)c1 ZINC000754042818 626472966 /nfs/dbraw/zinc/47/29/66/626472966.db2.gz LZMWTXXSLSIDOR-UHFFFAOYSA-N 1 1 261.413 3.326 20 30 CGEDMO CC(C)[N@@H+]1CC(N=Nc2cccc(F)c2F)[C@H](C)C1 ZINC000754258436 626565139 /nfs/dbraw/zinc/56/51/39/626565139.db2.gz IVGJYUGMXNLYGG-SNVBAGLBSA-N 1 1 267.323 3.093 20 30 CGEDMO C=CCc1cc(C[N@H+]2C[C@H](C)[C@H](C)C2)c(O)c(OC)c1 ZINC000754737748 626585521 /nfs/dbraw/zinc/58/55/21/626585521.db2.gz VADPFUPAKNNJDP-BETUJISGSA-N 1 1 275.392 3.217 20 30 CGEDMO CCCCCCCCNC(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000755079487 626599721 /nfs/dbraw/zinc/59/97/21/626599721.db2.gz VRTRZDAMWZCDFC-MRXNPFEDSA-N 1 1 297.487 3.330 20 30 CGEDMO Cc1ccc(C)c(N=NC2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000755884926 626656382 /nfs/dbraw/zinc/65/63/82/626656382.db2.gz AJNLMQBLXPXHLL-CYBMUJFWSA-N 1 1 257.381 3.185 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)CC[C@@H](C)c1ccccc1 ZINC000756544877 626713685 /nfs/dbraw/zinc/71/36/85/626713685.db2.gz SERNVMYNOGTESJ-AEFFLSMTSA-N 1 1 299.414 3.211 20 30 CGEDMO COc1cccc(/C=N\[C@@H]2C[N@@H+](C)Cc3ccccc32)c1O ZINC000756841454 626736561 /nfs/dbraw/zinc/73/65/61/626736561.db2.gz VBVPYTYMHNUBIC-DZGUVLCISA-N 1 1 296.370 3.006 20 30 CGEDMO C#CC[C@H](Nc1cc[nH+]cc1Cl)c1ccccc1 ZINC000756957472 626743722 /nfs/dbraw/zinc/74/37/22/626743722.db2.gz RVCHBZJIZDAFDM-AWEZNQCLSA-N 1 1 256.736 3.333 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1c2ccccc2sc1C(=O)OC ZINC000839585055 626766016 /nfs/dbraw/zinc/76/60/16/626766016.db2.gz ZEPCZVPDORWVPF-LLVKDONJSA-N 1 1 287.384 3.141 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1c2ccccc2sc1C(=O)OC ZINC000839585055 626766021 /nfs/dbraw/zinc/76/60/21/626766021.db2.gz ZEPCZVPDORWVPF-LLVKDONJSA-N 1 1 287.384 3.141 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000839668242 626773731 /nfs/dbraw/zinc/77/37/31/626773731.db2.gz ZTCMVBHMMGSJAM-INIZCTEOSA-N 1 1 280.456 3.434 20 30 CGEDMO C#CC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)C1CCCC1 ZINC000757776328 626807856 /nfs/dbraw/zinc/80/78/56/626807856.db2.gz CWJGECHRHOQJQU-UHFFFAOYSA-N 1 1 272.348 3.281 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(Br)c1O)C1CC1 ZINC000757924134 626813969 /nfs/dbraw/zinc/81/39/69/626813969.db2.gz XALCOFSWKIXRDA-UHFFFAOYSA-N 1 1 282.181 3.305 20 30 CGEDMO C=CC[N@H+](Cc1cccc(Br)c1O)C1CC1 ZINC000757924134 626813972 /nfs/dbraw/zinc/81/39/72/626813972.db2.gz XALCOFSWKIXRDA-UHFFFAOYSA-N 1 1 282.181 3.305 20 30 CGEDMO C[N@H+]1CCCC(N=Nc2cccc3cnccc32)CC1 ZINC000758119852 626828230 /nfs/dbraw/zinc/82/82/30/626828230.db2.gz GSRASDNJAOSUDF-UHFFFAOYSA-N 1 1 268.364 3.118 20 30 CGEDMO COc1cccc(N[NH+]=Cc2ccc(N3CCCC3)nc2)c1 ZINC000758373737 626840230 /nfs/dbraw/zinc/84/02/30/626840230.db2.gz INFXVVRBVOSEEI-UHFFFAOYSA-N 1 1 296.374 3.136 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CC1=NOCC(F)F ZINC000758898910 626864415 /nfs/dbraw/zinc/86/44/15/626864415.db2.gz AEZYIQHSCOOGRC-LBPRGKRZSA-N 1 1 282.334 3.166 20 30 CGEDMO C=CC[N@H+](Cc1nnc(-c2cc(C)oc2C)o1)C(C)C ZINC000760819665 626994385 /nfs/dbraw/zinc/99/43/85/626994385.db2.gz UPOHKIJTHVTCNM-UHFFFAOYSA-N 1 1 275.352 3.343 20 30 CGEDMO C=CC[N@@H+](Cc1nnc(-c2cc(C)oc2C)o1)C(C)C ZINC000760819665 626994390 /nfs/dbraw/zinc/99/43/90/626994390.db2.gz UPOHKIJTHVTCNM-UHFFFAOYSA-N 1 1 275.352 3.343 20 30 CGEDMO C[N@@H+](Cc1cc(Cl)ccc1OCC#N)[C@@H]1CCSC1 ZINC000760886199 627000292 /nfs/dbraw/zinc/00/02/92/627000292.db2.gz MLWDGZSQYWSSTA-CYBMUJFWSA-N 1 1 296.823 3.180 20 30 CGEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CC[C@H]3C[C@H]32)cc1 ZINC000761101473 627016528 /nfs/dbraw/zinc/01/65/28/627016528.db2.gz XQIGVCPBUDUGSS-GXTWGEPZSA-N 1 1 265.278 3.151 20 30 CGEDMO COc1cc(Cl)cc(C[N@H+](CCC#N)CC(C)C)c1O ZINC000761185702 627023021 /nfs/dbraw/zinc/02/30/21/627023021.db2.gz TUWZBYYNPKQSBM-UHFFFAOYSA-N 1 1 296.798 3.426 20 30 CGEDMO COc1cc(Cl)cc(C[N@@H+](CCC#N)CC(C)C)c1O ZINC000761185702 627023022 /nfs/dbraw/zinc/02/30/22/627023022.db2.gz TUWZBYYNPKQSBM-UHFFFAOYSA-N 1 1 296.798 3.426 20 30 CGEDMO C#CC[N@H+](CCOc1c(Cl)cccc1Cl)C1CC1 ZINC000763950887 627187042 /nfs/dbraw/zinc/18/70/42/627187042.db2.gz ZXUFCZZKBHHTKL-UHFFFAOYSA-N 1 1 284.186 3.470 20 30 CGEDMO C#CC[N@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)C1CC1 ZINC000764684318 627218656 /nfs/dbraw/zinc/21/86/56/627218656.db2.gz XBGQHJAWWJWWIS-UHFFFAOYSA-N 1 1 285.778 3.328 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cn1ccc(=S)c2ccccc21 ZINC000766661345 627351126 /nfs/dbraw/zinc/35/11/26/627351126.db2.gz BOROHAUYTIGYBT-GFCCVEGCSA-N 1 1 256.374 3.282 20 30 CGEDMO C#CCCC[N@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000766901037 627368213 /nfs/dbraw/zinc/36/82/13/627368213.db2.gz JEOPUPVIOPJKEC-BFYDXBDKSA-N 1 1 257.377 3.250 20 30 CGEDMO C#CCCC[N@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000766901039 627368380 /nfs/dbraw/zinc/36/83/80/627368380.db2.gz JEOPUPVIOPJKEC-INMHGKMJSA-N 1 1 257.377 3.250 20 30 CGEDMO C[C@@H]1CCC(=[NH+]n2cc(Br)cn2)C[C@H]1C ZINC000767388846 627404403 /nfs/dbraw/zinc/40/44/03/627404403.db2.gz XVASDOMLAJQISR-RKDXNWHRSA-N 1 1 270.174 3.306 20 30 CGEDMO Cc1ccc(NCc2ccc(C#N)c(C)c2)c(N(C)C)[nH+]1 ZINC000767687363 627428621 /nfs/dbraw/zinc/42/86/21/627428621.db2.gz RVXQNKPUFHNMDG-UHFFFAOYSA-N 1 1 280.375 3.248 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000767991449 627448619 /nfs/dbraw/zinc/44/86/19/627448619.db2.gz VQRRBKDFRMPIOO-WBVHZDCISA-N 1 1 287.403 3.406 20 30 CGEDMO COc1ccc(C[N@@H+](CCC#N)CC(C)C)cc1C ZINC000768155214 627464107 /nfs/dbraw/zinc/46/41/07/627464107.db2.gz VNZMVVMXVMAJLA-UHFFFAOYSA-N 1 1 260.381 3.375 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cs1)Cc1cccc([N+](=O)[O-])c1 ZINC000768337998 627474267 /nfs/dbraw/zinc/47/42/67/627474267.db2.gz XSZMTIAJLHRKOC-UHFFFAOYSA-N 1 1 287.344 3.160 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1cccc([N+](=O)[O-])c1 ZINC000768337998 627474269 /nfs/dbraw/zinc/47/42/69/627474269.db2.gz XSZMTIAJLHRKOC-UHFFFAOYSA-N 1 1 287.344 3.160 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)c(OCC)c1)C(C)C ZINC000768548101 627486300 /nfs/dbraw/zinc/48/63/00/627486300.db2.gz WSMUXJRPUKINLI-UHFFFAOYSA-N 1 1 263.381 3.490 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(O[C@@H](C)C#N)cc1)C(C)C ZINC000768547408 627486335 /nfs/dbraw/zinc/48/63/35/627486335.db2.gz LFXQQSWHCUEFAC-AWEZNQCLSA-N 1 1 258.365 3.374 20 30 CGEDMO C=CC[N@H+](Cc1c[nH]nc1-c1cccc(OC)c1)C(C)C ZINC000768551623 627486866 /nfs/dbraw/zinc/48/68/66/627486866.db2.gz RBGFORCXYLYRRO-UHFFFAOYSA-N 1 1 285.391 3.482 20 30 CGEDMO N#Cc1cc(F)ccc1C[NH+]1CCC(c2cccnc2)CC1 ZINC000768755846 627496801 /nfs/dbraw/zinc/49/68/01/627496801.db2.gz RCBROPPDMLPUBU-UHFFFAOYSA-N 1 1 295.361 3.472 20 30 CGEDMO Cc1c(C[N@@H+](C)[C@H](C)CC#N)sc2nc(C)nc(C)c12 ZINC000769334810 627543162 /nfs/dbraw/zinc/54/31/62/627543162.db2.gz RFRWAMFCTBZVRO-SECBINFHSA-N 1 1 288.420 3.351 20 30 CGEDMO Cc1c(C[N@H+](C)[C@H](C)CC#N)sc2nc(C)nc(C)c12 ZINC000769334810 627543166 /nfs/dbraw/zinc/54/31/66/627543166.db2.gz RFRWAMFCTBZVRO-SECBINFHSA-N 1 1 288.420 3.351 20 30 CGEDMO C#CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000769531985 627563145 /nfs/dbraw/zinc/56/31/45/627563145.db2.gz ZWOHSHPGRXLLCU-CLFYSBASSA-N 1 1 284.359 3.486 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C(F)(F)F)cn1)C1CCCC1 ZINC000769733883 627575168 /nfs/dbraw/zinc/57/51/68/627575168.db2.gz PYSVQBXCJRLONU-UHFFFAOYSA-N 1 1 282.309 3.478 20 30 CGEDMO Cc1cc(C)cc(C[N@@H+](C)C[C@@H](O)c2ccc(C#N)cc2)c1 ZINC000769845765 627583143 /nfs/dbraw/zinc/58/31/43/627583143.db2.gz HILPJYOQYAPGEZ-LJQANCHMSA-N 1 1 294.398 3.341 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(SC(F)F)cc1 ZINC000769954164 627592158 /nfs/dbraw/zinc/59/21/58/627592158.db2.gz SGUBLMZPPLJUMH-JTQLQIEISA-N 1 1 255.333 3.455 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000769960877 627592854 /nfs/dbraw/zinc/59/28/54/627592854.db2.gz BMYQDCYBZDKJTA-LLVKDONJSA-N 1 1 274.751 3.449 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000769960877 627592859 /nfs/dbraw/zinc/59/28/59/627592859.db2.gz BMYQDCYBZDKJTA-LLVKDONJSA-N 1 1 274.751 3.449 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)CCOc1ccccc1C(F)(F)F ZINC000769977263 627594263 /nfs/dbraw/zinc/59/42/63/627594263.db2.gz CLTJYVKQRRIMGE-NSHDSACASA-N 1 1 271.282 3.038 20 30 CGEDMO CCCCCCC[N@H+]1CCO[C@@H](COC(C)C)C1 ZINC000770710051 627639068 /nfs/dbraw/zinc/63/90/68/627639068.db2.gz LMSORTJIGDSMII-OAHLLOKOSA-N 1 1 257.418 3.083 20 30 CGEDMO C[C@H](CC#N)NN=C1CCCC[C@@H]1[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000771886946 627740717 /nfs/dbraw/zinc/74/07/17/627740717.db2.gz AUUZVFAZFXTILN-DLTWYDFYSA-N 1 1 290.455 3.155 20 30 CGEDMO C=CC[N@@H+](Cc1cc(=O)oc2cc3c(cc12)CCC3)C1CC1 ZINC000772384342 627789532 /nfs/dbraw/zinc/78/95/32/627789532.db2.gz YATABFCFOTYZOD-UHFFFAOYSA-N 1 1 295.382 3.432 20 30 CGEDMO C#CCOc1ccccc1C[NH2+][C@@H](C)c1ccoc1 ZINC000772989641 627838262 /nfs/dbraw/zinc/83/82/62/627838262.db2.gz XSTUTKNDRMXARS-ZDUSSCGKSA-N 1 1 255.317 3.142 20 30 CGEDMO Cc1[nH+]ccn1-c1ncccc1CNc1ccc(C#N)cc1 ZINC000774537809 628003242 /nfs/dbraw/zinc/00/32/42/628003242.db2.gz XUFTZCXAINIIMX-UHFFFAOYSA-N 1 1 289.342 3.060 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000775179879 628069620 /nfs/dbraw/zinc/06/96/20/628069620.db2.gz SXOMELHBPDBUGV-ZDUSSCGKSA-N 1 1 257.377 3.244 20 30 CGEDMO C#C[C@H]([NH2+]Cc1ccc(Cl)cc1Cl)[C@@H]1CCCO1 ZINC000775341712 628084250 /nfs/dbraw/zinc/08/42/50/628084250.db2.gz NYECVWPDIMTVLP-KBPBESRZSA-N 1 1 284.186 3.264 20 30 CGEDMO C#C[C@H]([NH2+][C@H](CC)c1cc(F)ccc1F)[C@@H]1CCCO1 ZINC000775574135 628110035 /nfs/dbraw/zinc/11/00/35/628110035.db2.gz NRLKAGRLJOZDTH-PMPSAXMXSA-N 1 1 279.330 3.186 20 30 CGEDMO C=CCC[C@H]([NH2+]Cc1nc(-c2ccccc2)n[nH]1)C1CC1 ZINC000777574910 628284643 /nfs/dbraw/zinc/28/46/43/628284643.db2.gz OCAUDKAZIJBWSE-HNNXBMFYSA-N 1 1 282.391 3.306 20 30 CGEDMO C=CC[N@@H+](CN1CC[C@](C)(Cc2ccccc2)C1=O)C1CC1 ZINC000780446689 628490437 /nfs/dbraw/zinc/49/04/37/628490437.db2.gz DPFJJRRQBYMYOF-LJQANCHMSA-N 1 1 298.430 3.076 20 30 CGEDMO C=CC[N@H+](CN1CC[C@](C)(Cc2ccccc2)C1=O)C1CC1 ZINC000780446689 628490438 /nfs/dbraw/zinc/49/04/38/628490438.db2.gz DPFJJRRQBYMYOF-LJQANCHMSA-N 1 1 298.430 3.076 20 30 CGEDMO CCON=C1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000781123732 628538030 /nfs/dbraw/zinc/53/80/30/628538030.db2.gz HFDPUWZZEDTXQV-HZPDHXFCSA-N 1 1 272.392 3.311 20 30 CGEDMO CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CCCC#N ZINC000782096777 628615216 /nfs/dbraw/zinc/61/52/16/628615216.db2.gz VGPPTTVMGJPQTQ-AWEZNQCLSA-N 1 1 295.427 3.012 20 30 CGEDMO CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CCCC#N ZINC000782096777 628615217 /nfs/dbraw/zinc/61/52/17/628615217.db2.gz VGPPTTVMGJPQTQ-AWEZNQCLSA-N 1 1 295.427 3.012 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)cc1 ZINC000783736517 628744031 /nfs/dbraw/zinc/74/40/31/628744031.db2.gz CCBKQRXIMUDQPG-HRCADAONSA-N 1 1 287.403 3.086 20 30 CGEDMO C[C@H]1CCCC[C@H]1C=[NH+]n1cc(Br)cn1 ZINC000783856928 628751673 /nfs/dbraw/zinc/75/16/73/628751673.db2.gz OLJDJMWDNCNKRJ-UWVGGRQHSA-N 1 1 270.174 3.306 20 30 CGEDMO C[C@@H]1CCCC[C@H]1C=[NH+]n1cc(Br)cn1 ZINC000783856930 628751825 /nfs/dbraw/zinc/75/18/25/628751825.db2.gz OLJDJMWDNCNKRJ-ZJUUUORDSA-N 1 1 270.174 3.306 20 30 CGEDMO C[C@H]1CCCC[C@@H]1C=[NH+]n1cc(Br)cn1 ZINC000783856929 628751842 /nfs/dbraw/zinc/75/18/42/628751842.db2.gz OLJDJMWDNCNKRJ-VHSXEESVSA-N 1 1 270.174 3.306 20 30 CGEDMO C=CCCC[N@H+](C)CN1C[C@H](c2cccc(C)c2)CC1=O ZINC000783985306 628762813 /nfs/dbraw/zinc/76/28/13/628762813.db2.gz VHKYRDGHMDLHGW-QGZVFWFLSA-N 1 1 286.419 3.166 20 30 CGEDMO C#CC[N@@H+](CC)CCCc1ccccc1Br ZINC000784161918 628789416 /nfs/dbraw/zinc/78/94/16/628789416.db2.gz PNABVZYTYOAQJQ-UHFFFAOYSA-N 1 1 280.209 3.337 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000785786227 628888067 /nfs/dbraw/zinc/88/80/67/628888067.db2.gz CUHVTLRDFWTORC-QGZVFWFLSA-N 1 1 277.383 3.465 20 30 CGEDMO C#CC[N@H+](Cc1cncc(OCc2ccccc2)c1)C1CC1 ZINC000785809214 628889136 /nfs/dbraw/zinc/88/91/36/628889136.db2.gz JULUSAFPUHPBKD-UHFFFAOYSA-N 1 1 292.382 3.258 20 30 CGEDMO C#CC[N@@H+](Cc1cncc(OCc2ccccc2)c1)C1CC1 ZINC000785809214 628889140 /nfs/dbraw/zinc/88/91/40/628889140.db2.gz JULUSAFPUHPBKD-UHFFFAOYSA-N 1 1 292.382 3.258 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc(CC=C)cc(OC)c1O ZINC000786102283 628914089 /nfs/dbraw/zinc/91/40/89/628914089.db2.gz VLLPLCMUTZWCRZ-UHFFFAOYSA-N 1 1 261.365 3.137 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(OCC)cc1O ZINC000787307889 629007841 /nfs/dbraw/zinc/00/78/41/629007841.db2.gz AIAYHGKOINWRAX-AWEZNQCLSA-N 1 1 261.365 3.331 20 30 CGEDMO COc1cc(N=NC2C[C@@H](C)[N@H+](C3CC3)C2)ccc1Cl ZINC000788467267 629056055 /nfs/dbraw/zinc/05/60/55/629056055.db2.gz IHAZVPCNNSNDSR-SNVBAGLBSA-N 1 1 293.798 3.373 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)[C@@H](CCO)c2ccccc2)cc1 ZINC000788846887 629086468 /nfs/dbraw/zinc/08/64/68/629086468.db2.gz MPRBPJSIVOKXTN-IBGZPJMESA-N 1 1 279.383 3.223 20 30 CGEDMO CC(C)CC(N)=[NH+]OCC(=O)Nc1ccccc1C(C)C ZINC000125465018 634708664 /nfs/dbraw/zinc/70/86/64/634708664.db2.gz POBGPDSOTUXQHW-UHFFFAOYSA-N 1 1 291.395 3.083 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)Cc2ccccc2C2CC2)n1 ZINC000789758500 629165801 /nfs/dbraw/zinc/16/58/01/629165801.db2.gz LIMJKYRYSDLZLF-UHFFFAOYSA-N 1 1 293.414 3.416 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)Cc2ccccc2C2CC2)n1 ZINC000789758500 629165804 /nfs/dbraw/zinc/16/58/04/629165804.db2.gz LIMJKYRYSDLZLF-UHFFFAOYSA-N 1 1 293.414 3.416 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)Cc2cccc(CCC)c2)n1 ZINC000789758052 629166110 /nfs/dbraw/zinc/16/61/10/629166110.db2.gz GXQDZWYQYYELKV-UHFFFAOYSA-N 1 1 295.430 3.491 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)Cc2cccc(CCC)c2)n1 ZINC000789758052 629166111 /nfs/dbraw/zinc/16/61/11/629166111.db2.gz GXQDZWYQYYELKV-UHFFFAOYSA-N 1 1 295.430 3.491 20 30 CGEDMO CC[C@H](C)NN=C(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000790180958 629189136 /nfs/dbraw/zinc/18/91/36/629189136.db2.gz BZLLYCSZCQQGHE-YOEHRIQHSA-N 1 1 273.424 3.273 20 30 CGEDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNc1snc(Cl)c1C#N ZINC000790286000 629199536 /nfs/dbraw/zinc/19/95/36/629199536.db2.gz WDLKNNSEZFWMJJ-JTQLQIEISA-N 1 1 298.843 3.200 20 30 CGEDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000791579825 629290263 /nfs/dbraw/zinc/29/02/63/629290263.db2.gz SUVFUNYXVDTIBE-BXUZGUMPSA-N 1 1 298.308 3.362 20 30 CGEDMO CCCCCCCCC[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000792268151 629353524 /nfs/dbraw/zinc/35/35/24/629353524.db2.gz JLIVYEYTXSFXIL-HNNXBMFYSA-N 1 1 266.429 3.044 20 30 CGEDMO C#C[C@@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(Cl)cc1 ZINC000862370655 629355312 /nfs/dbraw/zinc/35/53/12/629355312.db2.gz PQPOHVIIWKEVQK-HZPDHXFCSA-N 1 1 290.838 3.477 20 30 CGEDMO C=C(Br)C[N@H+](CCOC)[C@@H]1CC[C@@H](C)C1 ZINC000792465160 629361803 /nfs/dbraw/zinc/36/18/03/629361803.db2.gz KNGRYURURHPNDH-ZYHUDNBSSA-N 1 1 276.218 3.032 20 30 CGEDMO CC(C[NH+]1Cc2ccccc2C1)N=Nc1ccccc1 ZINC000792632078 629372325 /nfs/dbraw/zinc/37/23/25/629372325.db2.gz SFQJXYJUXOZQFP-UHFFFAOYSA-N 1 1 265.360 3.490 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cc(C)c(OC)c(C)c2)C1 ZINC000862442949 629375506 /nfs/dbraw/zinc/37/55/06/629375506.db2.gz JCVIQHYFBBIJHW-HNNXBMFYSA-N 1 1 257.377 3.157 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(OC)c(OCCC)c2)C1 ZINC000862442951 629375970 /nfs/dbraw/zinc/37/59/70/629375970.db2.gz JDBNAIGIYDCCME-HNNXBMFYSA-N 1 1 287.403 3.329 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000862443455 629377030 /nfs/dbraw/zinc/37/70/30/629377030.db2.gz OYUCEHDPHAKGMX-NSHDSACASA-N 1 1 278.739 3.093 20 30 CGEDMO C#CC[C@H]1CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000862444641 629377866 /nfs/dbraw/zinc/37/78/66/629377866.db2.gz DYUHGKROAIEYKE-IPJDOKCGSA-N 1 1 284.359 3.343 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cc(C)nc3ccccc23)C1 ZINC000862445388 629379214 /nfs/dbraw/zinc/37/92/14/629379214.db2.gz SCKNIEFXNIUIAR-HNNXBMFYSA-N 1 1 264.372 3.388 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000862445571 629380226 /nfs/dbraw/zinc/38/02/26/629380226.db2.gz XFCBYEJDVVNOCG-LBPRGKRZSA-N 1 1 260.406 3.256 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000862447867 629381087 /nfs/dbraw/zinc/38/10/87/629381087.db2.gz RPIYOCOHPMCSGY-AWEZNQCLSA-N 1 1 265.356 3.391 20 30 CGEDMO CSCCO[NH+]=C(C)c1ccc(N2CCCC2)cc1O ZINC000794576428 629559131 /nfs/dbraw/zinc/55/91/31/629559131.db2.gz GSCOHMRMOLKBIR-UHFFFAOYSA-N 1 1 294.420 3.096 20 30 CGEDMO C[C@@H](O[NH+]=C(N)CCC(F)(F)F)c1ccc(C#N)cc1 ZINC000863490632 629590332 /nfs/dbraw/zinc/59/03/32/629590332.db2.gz OWNOCYKMKVGNRH-SECBINFHSA-N 1 1 285.269 3.460 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)cc1 ZINC000119534263 629612852 /nfs/dbraw/zinc/61/28/52/629612852.db2.gz QUDJWHIMBHEWCS-OAHLLOKOSA-N 1 1 287.403 3.088 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795112737 629634254 /nfs/dbraw/zinc/63/42/54/629634254.db2.gz ZYISYZCAMIWNJL-CABCVRRESA-N 1 1 294.439 3.284 20 30 CGEDMO C#CC[N@H+](CC1CC(OCC)C1)[C@@H]1CCc2ccccc21 ZINC000795873753 629722527 /nfs/dbraw/zinc/72/25/27/629722527.db2.gz QNJMVSSBLHCDCP-GXOAENINSA-N 1 1 283.415 3.424 20 30 CGEDMO N#CCOc1ccc(C[N@@H+](CC2CC2)C2CCC2)cc1 ZINC000796580647 629802748 /nfs/dbraw/zinc/80/27/48/629802748.db2.gz ROMYXKWVEAFHHZ-UHFFFAOYSA-N 1 1 270.376 3.353 20 30 CGEDMO C#CC[N@H+](CCOc1ccccc1OC)Cc1ccccc1 ZINC000796631677 629807463 /nfs/dbraw/zinc/80/74/63/629807463.db2.gz GNXKLQZAWMXQLE-UHFFFAOYSA-N 1 1 295.382 3.209 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)C[C@H]1CCC(C)(C)O1 ZINC000796634042 629808454 /nfs/dbraw/zinc/80/84/54/629808454.db2.gz XZHSTNNDGYHFGD-MRXNPFEDSA-N 1 1 257.377 3.079 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccnn1-c1ccccc1 ZINC000798929983 630125356 /nfs/dbraw/zinc/12/53/56/630125356.db2.gz HGLWWMLJRKBDBJ-LBPRGKRZSA-N 1 1 261.756 3.275 20 30 CGEDMO C=C(C)CN1CCC([NH2+]Cc2cnc(Cl)c(F)c2)CC1 ZINC000865453522 630131548 /nfs/dbraw/zinc/13/15/48/630131548.db2.gz FZRIKJRYAYNFCT-UHFFFAOYSA-N 1 1 297.805 3.004 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CC[C@@H](c3ccccn3)C2)cc1 ZINC000799190765 630155560 /nfs/dbraw/zinc/15/55/60/630155560.db2.gz TVLLCYZOWNQIPB-QGZVFWFLSA-N 1 1 277.371 3.137 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CC[C@H](c3ccccn3)C2)cc1 ZINC000799190764 630156087 /nfs/dbraw/zinc/15/60/87/630156087.db2.gz TVLLCYZOWNQIPB-KRWDZBQOSA-N 1 1 277.371 3.137 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000799194266 630156953 /nfs/dbraw/zinc/15/69/53/630156953.db2.gz RMIBLLAIMUFHSA-KRWDZBQOSA-N 1 1 277.371 3.251 20 30 CGEDMO C#CCCC[N@H+](Cc1ccc(OC)cc1OC)CC1CC1 ZINC000800500527 630288960 /nfs/dbraw/zinc/28/89/60/630288960.db2.gz DRSDHDCAFWNWAF-UHFFFAOYSA-N 1 1 287.403 3.329 20 30 CGEDMO C[C@H](C1CCCCC1)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000801600439 630347681 /nfs/dbraw/zinc/34/76/81/630347681.db2.gz GVFMIPRDZAVQPJ-KDOFPFPSSA-N 1 1 286.419 3.492 20 30 CGEDMO Cc1cccc([C@H]2CCC[N@@H+]2CCO[C@@H](C)C#N)c1 ZINC000801912837 630365006 /nfs/dbraw/zinc/36/50/06/630365006.db2.gz GABUITBKLIOSME-GOEBONIOSA-N 1 1 258.365 3.061 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+](CCc1ccccc1)C1CCCC1 ZINC000801914345 630365249 /nfs/dbraw/zinc/36/52/49/630365249.db2.gz CMZCILSBRPLVGI-INIZCTEOSA-N 1 1 286.419 3.402 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000801918025 630365459 /nfs/dbraw/zinc/36/54/59/630365459.db2.gz VWRLEVVMHGQCFB-RDJZCZTQSA-N 1 1 272.392 3.012 20 30 CGEDMO C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)CCO[C@@H](C)C#N ZINC000801922065 630367006 /nfs/dbraw/zinc/36/70/06/630367006.db2.gz DZGGMEKDKYKHTJ-OLZOCXBDSA-N 1 1 280.799 3.131 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000801925747 630367498 /nfs/dbraw/zinc/36/74/98/630367498.db2.gz INJKTLMDPHBLFT-APWZRJJASA-N 1 1 298.430 3.285 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000801930257 630369426 /nfs/dbraw/zinc/36/94/26/630369426.db2.gz KPPJUEKSKRHFFI-KSSFIOAISA-N 1 1 284.403 3.457 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000801934385 630369967 /nfs/dbraw/zinc/36/99/67/630369967.db2.gz JZVZPZROATVIEF-CQSZACIVSA-N 1 1 296.370 3.233 20 30 CGEDMO Cc1cc(C)cc([C@H]2CC[N@H+](CCO[C@@H](C)C#N)C2)c1 ZINC000801939852 630371346 /nfs/dbraw/zinc/37/13/46/630371346.db2.gz WIMZNGRLTIEXSR-HOTGVXAUSA-N 1 1 272.392 3.021 20 30 CGEDMO C=CCCCCCCNC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000807571919 630593839 /nfs/dbraw/zinc/59/38/39/630593839.db2.gz UYTHTMVRJWBNQN-MRXNPFEDSA-N 1 1 295.471 3.105 20 30 CGEDMO C#C[C@H](CC)[NH2+]Cc1cnn(Cc2ccccc2)c1Cl ZINC000809685559 630780543 /nfs/dbraw/zinc/78/05/43/630780543.db2.gz AHUYLQGVADAFIG-OAHLLOKOSA-N 1 1 287.794 3.086 20 30 CGEDMO C#C[C@H](CC)N[C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000809686366 630782943 /nfs/dbraw/zinc/78/29/43/630782943.db2.gz OAYBAZBVXMPSSR-SJORKVTESA-N 1 1 270.420 3.041 20 30 CGEDMO C#C[C@H](CC)N[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000809686366 630782948 /nfs/dbraw/zinc/78/29/48/630782948.db2.gz OAYBAZBVXMPSSR-SJORKVTESA-N 1 1 270.420 3.041 20 30 CGEDMO C=CCCC[C@H](C)OC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810654480 630918162 /nfs/dbraw/zinc/91/81/62/630918162.db2.gz XAVOPMDSPHXRIQ-BBRMVZONSA-N 1 1 285.403 3.487 20 30 CGEDMO C#CCC(C)(C)C(=O)O[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000810665724 630923021 /nfs/dbraw/zinc/92/30/21/630923021.db2.gz BQDAWEOVZLXAHK-QGZVFWFLSA-N 1 1 299.414 3.244 20 30 CGEDMO C=CC[N@H+](CCOC)C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000878503181 635533907 /nfs/dbraw/zinc/53/39/07/635533907.db2.gz OSYMAXLJMSUXHF-SJORKVTESA-N 1 1 275.392 3.041 20 30 CGEDMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)OCCCC(C)(C)C#N)C1 ZINC000811444257 631067127 /nfs/dbraw/zinc/06/71/27/631067127.db2.gz BICGQBCOOPHLJX-INIZCTEOSA-N 1 1 298.402 3.072 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)cc1 ZINC000811512255 631079519 /nfs/dbraw/zinc/07/95/19/631079519.db2.gz JBZBQVZTYDSHCY-ZDUSSCGKSA-N 1 1 279.330 3.176 20 30 CGEDMO C[C@H]1C[C@H](Nc2nc3ccccc3cc2C#N)C[N@H+]1C1CC1 ZINC000811811759 631122423 /nfs/dbraw/zinc/12/24/23/631122423.db2.gz GNQNMZWZYMCWHA-WFASDCNBSA-N 1 1 292.386 3.144 20 30 CGEDMO Cc1cccc(C(C)C)c1N[NH2+]C1=CC(=O)N2CCC[C@H]12 ZINC000812231884 631223474 /nfs/dbraw/zinc/22/34/74/631223474.db2.gz ISZUQNMDHIYQAL-OAHLLOKOSA-N 1 1 285.391 3.281 20 30 CGEDMO Cc1cccc(C(C)C)c1N=NC1C[N@@H+](C)C[C@H]1C ZINC000812232641 631224720 /nfs/dbraw/zinc/22/47/20/631224720.db2.gz JLSVDYCCJJNFCL-CYBMUJFWSA-N 1 1 259.397 3.468 20 30 CGEDMO CC[N@@H+](CCCSCC#N)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812853174 631326131 /nfs/dbraw/zinc/32/61/31/631326131.db2.gz OITBOJZHMLIHOB-GOEBONIOSA-N 1 1 292.448 3.077 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C)CC(=O)Nc1ccccc1Cl ZINC000876536073 634853118 /nfs/dbraw/zinc/85/31/18/634853118.db2.gz UYYSFPSNHLRFTH-LBPRGKRZSA-N 1 1 293.798 3.150 20 30 CGEDMO C=CCC(C)(C)COC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000814005120 631507279 /nfs/dbraw/zinc/50/72/79/631507279.db2.gz JQWSERKLOYEDMM-ZDUSSCGKSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CCC(C)(C)COC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000814005120 631507283 /nfs/dbraw/zinc/50/72/83/631507283.db2.gz JQWSERKLOYEDMM-ZDUSSCGKSA-N 1 1 253.386 3.006 20 30 CGEDMO CC(=[NH+]N[C@@H]1CCCC1(C)C)c1cc(F)c(N)c(F)c1 ZINC000814916412 631679755 /nfs/dbraw/zinc/67/97/55/631679755.db2.gz AJKNBIFEJAHKEP-CYBMUJFWSA-N 1 1 281.350 3.439 20 30 CGEDMO CCC(=[NH+]OCCOC(C)C)c1ccc(Cl)c(N)c1 ZINC000814937092 631691747 /nfs/dbraw/zinc/69/17/47/631691747.db2.gz URWQAZLAICBYIU-UHFFFAOYSA-N 1 1 284.787 3.478 20 30 CGEDMO C#CC[N@H+](CCC1(OC)CCC1)Cc1ccc(F)cc1 ZINC000815027776 631705438 /nfs/dbraw/zinc/70/54/38/631705438.db2.gz ITZVXHJRGMEFJP-UHFFFAOYSA-N 1 1 275.367 3.220 20 30 CGEDMO C=C(Cl)COC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000815446144 631781413 /nfs/dbraw/zinc/78/14/13/631781413.db2.gz PXKLPVXJVSLCMA-ZDUSSCGKSA-N 1 1 271.788 3.079 20 30 CGEDMO C=C(Cl)COC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000815446144 631781418 /nfs/dbraw/zinc/78/14/18/631781418.db2.gz PXKLPVXJVSLCMA-ZDUSSCGKSA-N 1 1 271.788 3.079 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@H+]1C[C@H](C)[C@H]1C ZINC000816646294 632031149 /nfs/dbraw/zinc/03/11/49/632031149.db2.gz BIESCFKRWHVILA-NWDGAFQWSA-N 1 1 263.768 3.192 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1C[C@H](C)[C@H]1C ZINC000816646294 632031156 /nfs/dbraw/zinc/03/11/56/632031156.db2.gz BIESCFKRWHVILA-NWDGAFQWSA-N 1 1 263.768 3.192 20 30 CGEDMO C#CCOc1ccc([C@@H](C)N[C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000817986888 632275855 /nfs/dbraw/zinc/27/58/55/632275855.db2.gz VHUDJDNLSWYATF-WBVHZDCISA-N 1 1 298.430 3.024 20 30 CGEDMO C#C[C@H]([NH2+][C@H](C)c1ccc(OC)cc1Cl)[C@@H]1CCCO1 ZINC000818337186 632309982 /nfs/dbraw/zinc/30/99/82/632309982.db2.gz IBXFDLBWQYQRTA-RLCCDNCMSA-N 1 1 293.794 3.180 20 30 CGEDMO C[N@H+]1CCCC(N=Nc2cc(Cl)nc(Cl)c2)CC1 ZINC000819828539 632527231 /nfs/dbraw/zinc/52/72/31/632527231.db2.gz HNYMJCRYWGBEEA-UHFFFAOYSA-N 1 1 287.194 3.272 20 30 CGEDMO N#CC[N@@H+](CC[C@@H]1CC1(Cl)Cl)C1CCCC1 ZINC000822635274 632995367 /nfs/dbraw/zinc/99/53/67/632995367.db2.gz UWHCMCOCIXKQSA-SNVBAGLBSA-N 1 1 261.196 3.338 20 30 CGEDMO N#CC[N@H+](CC[C@@H]1CC1(Cl)Cl)C1CCCC1 ZINC000822635274 632995378 /nfs/dbraw/zinc/99/53/78/632995378.db2.gz UWHCMCOCIXKQSA-SNVBAGLBSA-N 1 1 261.196 3.338 20 30 CGEDMO C[C@@H]1CCC[C@H](c2noc([C@H]([NH3+])CCCC#N)n2)C1 ZINC000822760876 633018442 /nfs/dbraw/zinc/01/84/42/633018442.db2.gz SPWBSJWATGNRNA-GRYCIOLGSA-N 1 1 262.357 3.057 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000822892587 633036346 /nfs/dbraw/zinc/03/63/46/633036346.db2.gz KBTBPVNSDGSLFC-INIZCTEOSA-N 1 1 298.430 3.076 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000822892587 633036350 /nfs/dbraw/zinc/03/63/50/633036350.db2.gz KBTBPVNSDGSLFC-INIZCTEOSA-N 1 1 298.430 3.076 20 30 CGEDMO Cc1c2cccc(C)c2oc1C[N@H+](C)CCO[C@@H](C)C#N ZINC000844420940 635896411 /nfs/dbraw/zinc/89/64/11/635896411.db2.gz PGKXTLOAEHDJBN-ZDUSSCGKSA-N 1 1 286.375 3.410 20 30 CGEDMO C=C(Cl)C[NH2+][C@H]1CCCOc2c(OC)cccc21 ZINC000866298683 633070057 /nfs/dbraw/zinc/07/00/57/633070057.db2.gz CNEWCIIFUUIRDM-LBPRGKRZSA-N 1 1 267.756 3.251 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+](C)C[C@@](C)(O)c1ccccc1 ZINC000823604987 633126632 /nfs/dbraw/zinc/12/66/32/633126632.db2.gz HLKVLVMFUYIDIS-LJQANCHMSA-N 1 1 294.398 3.206 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCCCCCO ZINC000823617456 633127313 /nfs/dbraw/zinc/12/73/13/633127313.db2.gz JKZDKBGLZIPWFV-AWEZNQCLSA-N 1 1 260.381 3.104 20 30 CGEDMO CC(C)[C@@H](C)[N@@H+](C)Cc1cc(C#N)cnc1Cl ZINC000876573799 634860123 /nfs/dbraw/zinc/86/01/23/634860123.db2.gz CJVJHQZIJVBHDI-SNVBAGLBSA-N 1 1 251.761 3.083 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000826861529 633438377 /nfs/dbraw/zinc/43/83/77/633438377.db2.gz GLWRBOYHOTYTGX-NSHDSACASA-N 1 1 264.756 3.171 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000826862142 633438845 /nfs/dbraw/zinc/43/88/45/633438845.db2.gz VUMLKMAREDCPBF-NSHDSACASA-N 1 1 264.756 3.171 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CCCCC1 ZINC000827248010 633475486 /nfs/dbraw/zinc/47/54/86/633475486.db2.gz YWAGWAWLVBZCEB-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO CCCCCCCCC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000827347359 633484184 /nfs/dbraw/zinc/48/41/84/633484184.db2.gz UOKRBGKLOVTYMC-HZPDHXFCSA-N 1 1 280.456 3.290 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000827651025 633507642 /nfs/dbraw/zinc/50/76/42/633507642.db2.gz YDDNOEDIFJLMPZ-QGZVFWFLSA-N 1 1 266.344 3.281 20 30 CGEDMO C#CC[N@H+](C[C@@H](O)[C@H](C)c1ccccc1)C1CCCC1 ZINC000828036443 633551136 /nfs/dbraw/zinc/55/11/36/633551136.db2.gz KSSGMUXPIRDTSD-CRAIPNDOSA-N 1 1 271.404 3.029 20 30 CGEDMO C#CC[N@H+](CCc1ccncc1C)Cc1ccccc1 ZINC000828536859 633625997 /nfs/dbraw/zinc/62/59/97/633625997.db2.gz OHKJXXLEJBANQS-UHFFFAOYSA-N 1 1 264.372 3.068 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000828739540 633647421 /nfs/dbraw/zinc/64/74/21/633647421.db2.gz XFSKQZUBXZJWSJ-MRXNPFEDSA-N 1 1 263.356 3.075 20 30 CGEDMO CC(C)C[C@H]([NH2+]CC1(C#N)CCC1)c1ccccn1 ZINC000828774351 633651334 /nfs/dbraw/zinc/65/13/34/633651334.db2.gz GIHPVLHFYFAMOD-HNNXBMFYSA-N 1 1 257.381 3.452 20 30 CGEDMO C[C@@]1(C[N@@H+]2CCC[C@@](C)(C#N)C2)CC1(Cl)Cl ZINC000828786021 633653005 /nfs/dbraw/zinc/65/30/05/633653005.db2.gz TURTUYDLDVFPEQ-QWRGUYRKSA-N 1 1 261.196 3.196 20 30 CGEDMO C[C@@]1(C[N@H+]2CCC[C@@](C)(C#N)C2)CC1(Cl)Cl ZINC000828786021 633653006 /nfs/dbraw/zinc/65/30/06/633653006.db2.gz TURTUYDLDVFPEQ-QWRGUYRKSA-N 1 1 261.196 3.196 20 30 CGEDMO C=CC1(CC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)CCCCC1 ZINC000828962047 633673330 /nfs/dbraw/zinc/67/33/30/633673330.db2.gz YVJHDTUDOFZOQV-HOTGVXAUSA-N 1 1 290.451 3.208 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC000829159262 633705794 /nfs/dbraw/zinc/70/57/94/633705794.db2.gz OKTANRAVVGVCJX-UHFFFAOYSA-N 1 1 256.393 3.050 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000829775166 633780799 /nfs/dbraw/zinc/78/07/99/633780799.db2.gz YUBMUEIVOAAOKA-DLBZAZTESA-N 1 1 298.430 3.366 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cnc3c(cnn3C(C)C)c2)C1 ZINC000829778500 633781810 /nfs/dbraw/zinc/78/18/10/633781810.db2.gz CYTKXAWOKDWUBB-OAHLLOKOSA-N 1 1 296.418 3.248 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000829778627 633783034 /nfs/dbraw/zinc/78/30/34/633783034.db2.gz FPKDGULRNHSMKV-CQSZACIVSA-N 1 1 272.348 3.139 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](CC(=O)c2c[nH]c3ccccc23)C1 ZINC000829793440 633785335 /nfs/dbraw/zinc/78/53/35/633785335.db2.gz FGAXVDMYEDITNC-AWEZNQCLSA-N 1 1 280.371 3.086 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+]([C@@H](CCOC)c2ccccc2)C1 ZINC000829805258 633789242 /nfs/dbraw/zinc/78/92/42/633789242.db2.gz RQJCNILTCYJAHS-AEFFLSMTSA-N 1 1 271.404 3.500 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](CCC(C)(C)CC(=O)OCC)C1 ZINC000829815029 633795581 /nfs/dbraw/zinc/79/55/81/633795581.db2.gz DUXPJYYYUDYFBI-OAHLLOKOSA-N 1 1 279.424 3.091 20 30 CGEDMO CCN(CC)c1ccc(C[NH+]2CCC(C#N)CC2)cc1F ZINC000123701653 633799884 /nfs/dbraw/zinc/79/98/84/633799884.db2.gz GWIJEWFKXQGQSN-UHFFFAOYSA-N 1 1 289.398 3.407 20 30 CGEDMO C[C@]1(F)CCC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000830206604 633838971 /nfs/dbraw/zinc/83/89/71/633838971.db2.gz QSGZJBZSYZUOES-INIZCTEOSA-N 1 1 276.355 3.151 20 30 CGEDMO N#Cc1ccc(COc2cc[nH+]c3c2CCCC3)o1 ZINC000871759265 633853026 /nfs/dbraw/zinc/85/30/26/633853026.db2.gz GMLFNMGKHGNDAA-UHFFFAOYSA-N 1 1 254.289 3.004 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](O)[C@H]1CCc1ccccc1 ZINC000830396797 633859102 /nfs/dbraw/zinc/85/91/02/633859102.db2.gz UEFPAHFXXCGKHO-HZPDHXFCSA-N 1 1 279.811 3.197 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1[C@H](C)C[C@@H](c2ccccc2)[C@H]1C ZINC000830440656 633862453 /nfs/dbraw/zinc/86/24/53/633862453.db2.gz RWOUORYQAGUAON-KCYZZUKISA-N 1 1 272.392 3.182 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1[C@H](C)C[C@H](c2ccccc2)[C@H]1C ZINC000830440655 633862547 /nfs/dbraw/zinc/86/25/47/633862547.db2.gz RWOUORYQAGUAON-ANQUJSFKSA-N 1 1 272.392 3.182 20 30 CGEDMO C[C@@H]1CCC[C@@H](C2C[NH+](C[C@H](C#N)CCC#N)C2)C1 ZINC000871991430 633934120 /nfs/dbraw/zinc/93/41/20/633934120.db2.gz WZEUYGKOPRZMOO-QLFBSQMISA-N 1 1 259.397 3.188 20 30 CGEDMO C#CC[N@H+](CC(OCC)OCC)[C@H]1CCc2ccccc21 ZINC000123916815 633934556 /nfs/dbraw/zinc/93/45/56/633934556.db2.gz AMYOGYFQFQAHSN-KRWDZBQOSA-N 1 1 287.403 3.008 20 30 CGEDMO Cc1nccnc1[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000872133136 634055156 /nfs/dbraw/zinc/05/51/56/634055156.db2.gz KNVUURLFYBXCLX-JQWIXIFHSA-N 1 1 284.338 3.208 20 30 CGEDMO C=C(Cl)C[C@H]([NH3+])c1nc([C@@H]2CCc3ccccc32)no1 ZINC000872174052 634078020 /nfs/dbraw/zinc/07/80/20/634078020.db2.gz CFXIWCLGEPBSAX-OLZOCXBDSA-N 1 1 289.766 3.290 20 30 CGEDMO C=C(Cl)C[C@H]([NH3+])c1nc([C@H](C)Oc2ccccc2)no1 ZINC000872175263 634079025 /nfs/dbraw/zinc/07/90/25/634079025.db2.gz OCEGBHFBTBZYSF-JQWIXIFHSA-N 1 1 293.754 3.352 20 30 CGEDMO CSc1nnc(SC)n1[NH+]=CC(C)(C)C(C)(F)F ZINC000872418436 634140900 /nfs/dbraw/zinc/14/09/00/634140900.db2.gz PQCUZDYYMOQIDJ-UHFFFAOYSA-N 1 1 294.396 3.237 20 30 CGEDMO Cc1cc(C)c(O)c(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000872681482 634185959 /nfs/dbraw/zinc/18/59/59/634185959.db2.gz HULWMFSFORVHAC-UKRRQHHQSA-N 1 1 258.365 3.133 20 30 CGEDMO Cc1ccc(NCc2cccc(F)c2C#N)c(N(C)C)[nH+]1 ZINC000873096113 634245296 /nfs/dbraw/zinc/24/52/96/634245296.db2.gz VAYQSWRWKCCCOJ-UHFFFAOYSA-N 1 1 284.338 3.079 20 30 CGEDMO CC(C)c1c(Cl)nc[nH+]c1NNC=C1CC1(F)F ZINC000834975530 634300804 /nfs/dbraw/zinc/30/08/04/634300804.db2.gz OBVCIGFHZKUIBS-ZETCQYMHSA-N 1 1 274.702 3.306 20 30 CGEDMO C#CCCCCCC[N@H+](C)Cc1cnc(C)s1 ZINC000876622988 634870039 /nfs/dbraw/zinc/87/00/39/634870039.db2.gz SVBQQMZAWPIJAA-UHFFFAOYSA-N 1 1 250.411 3.467 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@H]1COC(=O)c1sccc1C#N ZINC000837484129 634917975 /nfs/dbraw/zinc/91/79/75/634917975.db2.gz FZEDCCUNYNYVTD-ZDUSSCGKSA-N 1 1 292.404 3.039 20 30 CGEDMO C=CCn1c(C)nn(C[N@@H+]2CCC[C@H]2C2CCC2)c1=S ZINC000102885982 634972993 /nfs/dbraw/zinc/97/29/93/634972993.db2.gz REZZTINEHOCYAO-AWEZNQCLSA-N 1 1 292.452 3.131 20 30 CGEDMO C=CCn1c(C)nn(C[N@H+]2CCC[C@H]2C2CCC2)c1=S ZINC000102885982 634972996 /nfs/dbraw/zinc/97/29/96/634972996.db2.gz REZZTINEHOCYAO-AWEZNQCLSA-N 1 1 292.452 3.131 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1cc2c(ccnc2Cl)o1 ZINC000877366803 635031161 /nfs/dbraw/zinc/03/11/61/635031161.db2.gz XNALPIQUORLJDO-SECBINFHSA-N 1 1 263.728 3.263 20 30 CGEDMO C=CC[N@H+](C)Cc1cccc(CNC(=O)OC(C)(C)C)c1 ZINC000877425849 635039668 /nfs/dbraw/zinc/03/96/68/635039668.db2.gz FXPJZTNDVJRZRH-UHFFFAOYSA-N 1 1 290.407 3.329 20 30 CGEDMO C[N@H+](CC(C)(C)C#N)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000877549764 635084559 /nfs/dbraw/zinc/08/45/59/635084559.db2.gz QOZJMXHLVTYTEI-UHFFFAOYSA-N 1 1 297.443 3.019 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(OC(=O)CC)c(OCC)c1 ZINC000840936988 635086235 /nfs/dbraw/zinc/08/62/35/635086235.db2.gz PTESHDRNFGFIIA-UHFFFAOYSA-N 1 1 291.391 3.409 20 30 CGEDMO C#CCCCCCC[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000877573102 635098542 /nfs/dbraw/zinc/09/85/42/635098542.db2.gz NPMUPNZNBNVIPZ-HNNXBMFYSA-N 1 1 251.414 3.053 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000877741059 635176872 /nfs/dbraw/zinc/17/68/72/635176872.db2.gz URMJICQJHDWTDN-QWHCGFSZSA-N 1 1 252.427 3.001 20 30 CGEDMO C[N@@H+](C[C@H](O)c1cccc(C#N)c1)[C@H]1CCc2ccccc21 ZINC000841493352 635186268 /nfs/dbraw/zinc/18/62/68/635186268.db2.gz LKUIXQUXSRIPMG-OALUTQOASA-N 1 1 292.382 3.211 20 30 CGEDMO C[N@@H+](C[C@@H](O)c1cccc(C#N)c1)[C@H]1CCc2ccccc21 ZINC000841493353 635186739 /nfs/dbraw/zinc/18/67/39/635186739.db2.gz LKUIXQUXSRIPMG-RBUKOAKNSA-N 1 1 292.382 3.211 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@H](C(C)(C)O)C2)c1 ZINC000877796002 635205898 /nfs/dbraw/zinc/20/58/98/635205898.db2.gz DMSQGKVSEXZIDC-INIZCTEOSA-N 1 1 289.419 3.234 20 30 CGEDMO Cc1cc(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)ccc1F ZINC000842155760 635297881 /nfs/dbraw/zinc/29/78/81/635297881.db2.gz DYUAZWNRNJLNNJ-GOSISDBHSA-N 1 1 298.361 3.171 20 30 CGEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCC[C@@H]1C1CC1)c1ccccc1 ZINC000878050166 635338432 /nfs/dbraw/zinc/33/84/32/635338432.db2.gz RQFIMDVZHJAIQN-MOPGFXCFSA-N 1 1 296.414 3.301 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000878053845 635340575 /nfs/dbraw/zinc/34/05/75/635340575.db2.gz RGNPDEFZCZTPAE-ZIAGYGMSSA-N 1 1 282.428 3.140 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)C[C@@H]1CCC2(CCC2)O1 ZINC000878159733 635385208 /nfs/dbraw/zinc/38/52/08/635385208.db2.gz SSYQATOLQYQGLH-HNNXBMFYSA-N 1 1 264.413 3.350 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)C[C@@H]1CCC2(CCC2)O1 ZINC000878159733 635385215 /nfs/dbraw/zinc/38/52/15/635385215.db2.gz SSYQATOLQYQGLH-HNNXBMFYSA-N 1 1 264.413 3.350 20 30 CGEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCC2(CCC2)C1)c1ccccc1 ZINC000878187987 635403308 /nfs/dbraw/zinc/40/33/08/635403308.db2.gz KJKAWELDCUOQLK-IBGZPJMESA-N 1 1 296.414 3.303 20 30 CGEDMO C=CC(C)(C)CC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000878247869 635432158 /nfs/dbraw/zinc/43/21/58/635432158.db2.gz JXTZNTGZQIEMEI-IYBDPMFKSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCC[C@@H](CCC(=O)OCC)C1 ZINC000878293416 635447225 /nfs/dbraw/zinc/44/72/25/635447225.db2.gz JDMCPWLEWSQJBL-KBPBESRZSA-N 1 1 253.386 3.006 20 30 CGEDMO C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccc(C#N)o2)C1 ZINC000878429028 635504805 /nfs/dbraw/zinc/50/48/05/635504805.db2.gz UYLSPNALGVOZBV-BLLLJJGKSA-N 1 1 267.332 3.129 20 30 CGEDMO C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000878429028 635504811 /nfs/dbraw/zinc/50/48/11/635504811.db2.gz UYLSPNALGVOZBV-BLLLJJGKSA-N 1 1 267.332 3.129 20 30 CGEDMO CCCCCCCCC(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000104983756 635535221 /nfs/dbraw/zinc/53/52/21/635535221.db2.gz JOLDULDURMDWDB-HNNXBMFYSA-N 1 1 268.445 3.338 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC2(CCOCC2)CO1 ZINC000878524638 635542328 /nfs/dbraw/zinc/54/23/28/635542328.db2.gz RTHMGNOUOOLGKB-CVEARBPZSA-N 1 1 279.424 3.003 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000843413713 635661745 /nfs/dbraw/zinc/66/17/45/635661745.db2.gz NXYACHZIHQGDMX-QZTJIDSGSA-N 1 1 299.414 3.090 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000843420042 635665134 /nfs/dbraw/zinc/66/51/34/635665134.db2.gz ZSVMVFFIYFJLHG-KRWDZBQOSA-N 1 1 292.382 3.083 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000843423653 635667167 /nfs/dbraw/zinc/66/71/67/635667167.db2.gz HNZNTPTWPLTGMO-LLVKDONJSA-N 1 1 267.294 3.339 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000879031971 635686380 /nfs/dbraw/zinc/68/63/80/635686380.db2.gz GDDPTBGXEUQJOS-GFCCVEGCSA-N 1 1 259.397 3.097 20 30 CGEDMO C[N@H+](C[C@H](O)c1cccc2ccccc21)[C@@H]1CCC[C@@H]1C#N ZINC000879310549 635752202 /nfs/dbraw/zinc/75/22/02/635752202.db2.gz VPRDCXVHSLVERU-LZQZEXGQSA-N 1 1 294.398 3.497 20 30 CGEDMO C[N@@H+](C[C@H](O)c1cccc2ccccc21)[C@@H]1CCC[C@@H]1C#N ZINC000879310549 635752209 /nfs/dbraw/zinc/75/22/09/635752209.db2.gz VPRDCXVHSLVERU-LZQZEXGQSA-N 1 1 294.398 3.497 20 30 CGEDMO CO[C@H]1CC[C@@H](C)[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000879324404 635759513 /nfs/dbraw/zinc/75/95/13/635759513.db2.gz HPBKHZAEEQICEK-CABCVRRESA-N 1 1 264.413 3.350 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)CCCCCCNC(=O)OC(C)(C)C ZINC000844325517 635870991 /nfs/dbraw/zinc/87/09/91/635870991.db2.gz YVYXCTRKLNYHCU-AWEZNQCLSA-N 1 1 282.428 3.025 20 30 CGEDMO Cc1ccc(CC[N@H+](C)C[C@H](O)c2cccc(C#N)c2)cc1 ZINC000844367606 635883209 /nfs/dbraw/zinc/88/32/09/635883209.db2.gz TYSGTUYDBWRRPN-IBGZPJMESA-N 1 1 294.398 3.075 20 30 CGEDMO CC(C)(O)[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000879963169 635890161 /nfs/dbraw/zinc/89/01/61/635890161.db2.gz YFMZAFXCAKRRLX-HNNXBMFYSA-N 1 1 291.822 3.174 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@@]3(CCc4ccccc43)C2)C1 ZINC000879996616 635892847 /nfs/dbraw/zinc/89/28/47/635892847.db2.gz KCGIBACLRBYSNV-KYJSFNMBSA-N 1 1 266.388 3.269 20 30 CGEDMO N#Cc1ccc(OCCC[N@@H+]2CC[C@@]3(CC3(F)F)C2)cc1 ZINC000844472371 635912721 /nfs/dbraw/zinc/91/27/21/635912721.db2.gz XGSWLSKAMFAIEH-OAHLLOKOSA-N 1 1 292.329 3.058 20 30 CGEDMO CN1CCC[C@H]2[C@H]1CC[N@H+]2Cc1ccccc1C(C)(C)C#N ZINC000880135070 635920765 /nfs/dbraw/zinc/92/07/65/635920765.db2.gz QJKAGTBUZYFUTL-MSOLQXFVSA-N 1 1 297.446 3.156 20 30 CGEDMO C[N@@H+]1CCC[C@H]2[C@H]1CCN2Cc1ccccc1C(C)(C)C#N ZINC000880135070 635920766 /nfs/dbraw/zinc/92/07/66/635920766.db2.gz QJKAGTBUZYFUTL-MSOLQXFVSA-N 1 1 297.446 3.156 20 30 CGEDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2Cc1ccccc1C(C)(C)C#N ZINC000880135070 635920769 /nfs/dbraw/zinc/92/07/69/635920769.db2.gz QJKAGTBUZYFUTL-MSOLQXFVSA-N 1 1 297.446 3.156 20 30 CGEDMO C=CCCC[C@@H]([NH2+]Cc1cnon1)c1ccccc1 ZINC000880390878 635992722 /nfs/dbraw/zinc/99/27/22/635992722.db2.gz XPSQQRJZHIHBBS-OAHLLOKOSA-N 1 1 257.337 3.257 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)cc1)[C@H](CO)c1ccccc1 ZINC000880459824 636004328 /nfs/dbraw/zinc/00/43/28/636004328.db2.gz ZYQIFLGDGWMSNB-GOSISDBHSA-N 1 1 280.371 3.114 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)OC[C@H]1CC[N@H+]1C(C)(C)C ZINC000845732540 636089955 /nfs/dbraw/zinc/08/99/55/636089955.db2.gz QWQUINMMDZRHQJ-QWHCGFSZSA-N 1 1 253.386 3.005 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC23CCCC3)cc1 ZINC000845999297 636128554 /nfs/dbraw/zinc/12/85/54/636128554.db2.gz HAYXSXJAYREQLK-AWEZNQCLSA-N 1 1 270.376 3.496 20 30 CGEDMO CCOCOc1ccc(C[NH2+]CC2(C#N)CCCC2)cc1 ZINC000846011341 636129200 /nfs/dbraw/zinc/12/92/00/636129200.db2.gz SIIQQOHAHSVPBP-UHFFFAOYSA-N 1 1 288.391 3.233 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@@H](OC(C)C)C2)cc1 ZINC000846013904 636130107 /nfs/dbraw/zinc/13/01/07/636130107.db2.gz FNKWBINHVVEQON-GOSISDBHSA-N 1 1 287.403 3.088 20 30 CGEDMO C=CCN(C(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)C(C)C ZINC000846810692 636247980 /nfs/dbraw/zinc/24/79/80/636247980.db2.gz GPGZNKOORCLSAG-HNNXBMFYSA-N 1 1 294.826 3.366 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000846991530 636302851 /nfs/dbraw/zinc/30/28/51/636302851.db2.gz IQCUORKNGPLTFT-STQMWFEESA-N 1 1 286.297 3.021 20 30 CGEDMO C#C[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000847021809 636313842 /nfs/dbraw/zinc/31/38/42/636313842.db2.gz PPTGEHYWDNNPTM-XHDPSFHLSA-N 1 1 298.213 3.372 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000847021689 636314222 /nfs/dbraw/zinc/31/42/22/636314222.db2.gz AQAARSRSBYPBQH-ZDUSSCGKSA-N 1 1 268.335 3.219 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000847023484 636315090 /nfs/dbraw/zinc/31/50/90/636315090.db2.gz MYDRVQGPAPKNES-ZDUSSCGKSA-N 1 1 284.334 3.326 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000847023484 636315096 /nfs/dbraw/zinc/31/50/96/636315096.db2.gz MYDRVQGPAPKNES-ZDUSSCGKSA-N 1 1 284.334 3.326 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000847023013 636315775 /nfs/dbraw/zinc/31/57/75/636315775.db2.gz KOAQOXOSPNAMQF-CYBMUJFWSA-N 1 1 297.320 3.473 20 30 CGEDMO C=CCC1(C(=O)OCC[C@H]2CC[N@H+](C)C2)CCCC1 ZINC000847816121 636456888 /nfs/dbraw/zinc/45/68/88/636456888.db2.gz ACUNJVONVYSGRT-CQSZACIVSA-N 1 1 265.397 3.008 20 30 CGEDMO c1ccc2nc(N=NC3CCC[N@@H+]4CCCC[C@@H]34)cnc2c1 ZINC000848403949 636567783 /nfs/dbraw/zinc/56/77/83/636567783.db2.gz GHKCPXKTOMETLP-INIZCTEOSA-N 1 1 295.390 3.046 20 30 CGEDMO C=CCC[C@@H](Cc1ccccc1)[NH2+]Cc1cn[nH]c1C ZINC000883205187 636584300 /nfs/dbraw/zinc/58/43/00/636584300.db2.gz QTVHWHVCBBNNBP-KRWDZBQOSA-N 1 1 269.392 3.385 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1cn(-c2ccccc2Cl)nc1C ZINC000848907857 636685226 /nfs/dbraw/zinc/68/52/26/636685226.db2.gz VAYWAEIKTSVCAO-LBPRGKRZSA-N 1 1 287.794 3.288 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1cn(-c2ccccc2Cl)nc1C ZINC000848907857 636685230 /nfs/dbraw/zinc/68/52/30/636685230.db2.gz VAYWAEIKTSVCAO-LBPRGKRZSA-N 1 1 287.794 3.288 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(SC)s2)C1 ZINC000848924336 636695106 /nfs/dbraw/zinc/69/51/06/636695106.db2.gz QFCFQHMATYKIBF-LLVKDONJSA-N 1 1 251.420 3.315 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](C/C=C/c2ccccc2OC)C1 ZINC000848924111 636696218 /nfs/dbraw/zinc/69/62/18/636696218.db2.gz NXJXGJVJVGGUPU-JOZWUWCOSA-N 1 1 255.361 3.054 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000848924182 636696248 /nfs/dbraw/zinc/69/62/48/636696248.db2.gz WYXSPRRNFQWUNY-HNNXBMFYSA-N 1 1 286.394 3.271 20 30 CGEDMO C=C(C)C[C@@H](CO)[NH2+][C@@H](CCc1ccccc1)C(F)F ZINC000883390691 636734315 /nfs/dbraw/zinc/73/43/15/636734315.db2.gz RNNPRDFISIGVEP-GJZGRUSLSA-N 1 1 283.362 3.170 20 30 CGEDMO CCOc1ccc(O)c(/C=N/C[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000849169717 636762103 /nfs/dbraw/zinc/76/21/03/636762103.db2.gz HVQKEJZVNLKBFA-BGARDKSCSA-N 1 1 290.407 3.083 20 30 CGEDMO CC(C)(C)[N@H+]1CC[C@@H]1CN=Cc1cc2ccccc2[nH]c1=O ZINC000849171488 636763226 /nfs/dbraw/zinc/76/32/26/636763226.db2.gz XQXUFWJBONPUME-MXDDHBLUSA-N 1 1 297.402 3.232 20 30 CGEDMO CC[N@@H+](CCNCc1ccc(C2(C#N)CC2)cc1)C(C)C ZINC000850113566 636960845 /nfs/dbraw/zinc/96/08/45/636960845.db2.gz MOAFGRVWRQMQPW-UHFFFAOYSA-N 1 1 285.435 3.062 20 30 CGEDMO CCN(CC[NH2+]Cc1ccc(C2(C#N)CC2)cc1)C(C)C ZINC000850113566 636960850 /nfs/dbraw/zinc/96/08/50/636960850.db2.gz MOAFGRVWRQMQPW-UHFFFAOYSA-N 1 1 285.435 3.062 20 30 CGEDMO FC(F)CON=C1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000884449388 637028734 /nfs/dbraw/zinc/02/87/34/637028734.db2.gz DFEIUFDXDZTEAS-ZFWWWQNUSA-N 1 1 294.345 3.309 20 30 CGEDMO C=CCC1(O)CCN(c2[nH+]ccc3ccc(C)cc32)CC1 ZINC000884724823 637136911 /nfs/dbraw/zinc/13/69/11/637136911.db2.gz HYSAZIINMZVMBD-UHFFFAOYSA-N 1 1 282.387 3.451 20 30 CGEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@H]2Cc2ccccc2)CCC1 ZINC000885935940 637320151 /nfs/dbraw/zinc/32/01/51/637320151.db2.gz WQBRSWQDBPJGFY-ROUUACIJSA-N 1 1 298.430 3.138 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)C[C@H]1CC[C@H](C2CC2)O1 ZINC000886017368 637365331 /nfs/dbraw/zinc/36/53/31/637365331.db2.gz YXWQOMSKJIPLMN-HUUCEWRRSA-N 1 1 264.413 3.206 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@H]1CC[C@H](C2CC2)O1 ZINC000886017368 637365332 /nfs/dbraw/zinc/36/53/32/637365332.db2.gz YXWQOMSKJIPLMN-HUUCEWRRSA-N 1 1 264.413 3.206 20 30 CGEDMO CC[C@@H]1CCCCC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886019308 637367643 /nfs/dbraw/zinc/36/76/43/637367643.db2.gz QGLMQKGUUFHPHX-CABCVRRESA-N 1 1 264.413 3.086 20 30 CGEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886027857 637372886 /nfs/dbraw/zinc/37/28/86/637372886.db2.gz JOVIIUKDRWKQKO-RBSFLKMASA-N 1 1 296.480 3.037 20 30 CGEDMO C[N@@H+](C[C@H](O)CC1(C#N)CCC1)CC1(c2ccccc2)CC1 ZINC000886157558 637441339 /nfs/dbraw/zinc/44/13/39/637441339.db2.gz DZUKAZMLXWJOCP-QGZVFWFLSA-N 1 1 298.430 3.095 20 30 CGEDMO C=CC[N@@H+](CCC#N)C[C@@H](C)COCc1ccccc1 ZINC000886215510 637460071 /nfs/dbraw/zinc/46/00/71/637460071.db2.gz LLFAHOMMXPEAEE-MRXNPFEDSA-N 1 1 272.392 3.241 20 30 CGEDMO C=CC[N@H+](CCC#N)C[C@@H](C)COCc1ccccc1 ZINC000886215510 637460079 /nfs/dbraw/zinc/46/00/79/637460079.db2.gz LLFAHOMMXPEAEE-MRXNPFEDSA-N 1 1 272.392 3.241 20 30 CGEDMO C#CCOCC[N@H+](Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000851712832 637471218 /nfs/dbraw/zinc/47/12/18/637471218.db2.gz VDECEJUUSOQRMO-BBRMVZONSA-N 1 1 273.376 3.017 20 30 CGEDMO C#CCOCC[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000851716054 637472697 /nfs/dbraw/zinc/47/26/97/637472697.db2.gz FQVHTVCCNUYFPF-HNNXBMFYSA-N 1 1 263.768 3.127 20 30 CGEDMO C#CC[N@@H+](Cc1cc(C)nc(C)n1)[C@@H]1CCc2ccccc21 ZINC000851734894 637483513 /nfs/dbraw/zinc/48/35/13/637483513.db2.gz AGJBSGIETQPLJY-LJQANCHMSA-N 1 1 291.398 3.216 20 30 CGEDMO C#CC[N@H+](Cc1cc(C)nc(C)n1)[C@@H]1CCc2ccccc21 ZINC000851734894 637483517 /nfs/dbraw/zinc/48/35/17/637483517.db2.gz AGJBSGIETQPLJY-LJQANCHMSA-N 1 1 291.398 3.216 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)[C@H]1CC[C@H](OC)C1 ZINC000851738023 637485101 /nfs/dbraw/zinc/48/51/01/637485101.db2.gz UOXNEFAWDJGCEN-IRXDYDNUSA-N 1 1 259.393 3.285 20 30 CGEDMO C[N@@H+](CCc1ccc(C#N)cc1)Cc1ccc(Cl)nc1 ZINC000851798602 637506853 /nfs/dbraw/zinc/50/68/53/637506853.db2.gz GVDZFANGHFIZCS-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO C#CC[C@H]1CC[N@H+]([C@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000886355513 637510439 /nfs/dbraw/zinc/51/04/39/637510439.db2.gz JQSGDYGLRSZFGG-KGLIPLIRSA-N 1 1 281.359 3.143 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2Cl)C1 ZINC000886355153 637510911 /nfs/dbraw/zinc/51/09/11/637510911.db2.gz DDYVLPWARLTORR-CHWSQXEVSA-N 1 1 290.794 3.012 20 30 CGEDMO C#CC[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2Cl)C1 ZINC000886355153 637510916 /nfs/dbraw/zinc/51/09/16/637510916.db2.gz DDYVLPWARLTORR-CHWSQXEVSA-N 1 1 290.794 3.012 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000886357750 637511632 /nfs/dbraw/zinc/51/16/32/637511632.db2.gz LFTLLMSEGMCZFF-NSHDSACASA-N 1 1 278.739 3.093 20 30 CGEDMO C#CC[C@H]1CC[N@H+]([C@@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC000886358130 637512475 /nfs/dbraw/zinc/51/24/75/637512475.db2.gz PSRNSCBDKZWXIX-STQMWFEESA-N 1 1 260.381 3.378 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000886360616 637513166 /nfs/dbraw/zinc/51/31/66/637513166.db2.gz YNZOWEGITUQSOY-OAHLLOKOSA-N 1 1 266.388 3.333 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cc(=O)oc3cc(CC)ccc23)C1 ZINC000886360041 637513363 /nfs/dbraw/zinc/51/33/63/637513363.db2.gz OFDFKYFJBFLWDV-HNNXBMFYSA-N 1 1 295.382 3.201 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cnc3ccc(C)cc3c2)C1 ZINC000886365594 637516224 /nfs/dbraw/zinc/51/62/24/637516224.db2.gz LUCKMWHHMNRPNY-OAHLLOKOSA-N 1 1 264.372 3.388 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H]1CC[C@H](OC)C1 ZINC000852041202 637576826 /nfs/dbraw/zinc/57/68/26/637576826.db2.gz RHJYPHPSEKREDR-SJORKVTESA-N 1 1 291.439 3.410 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+][C@@H](C)c1nnc(-c2cccs2)o1 ZINC000852098912 637592167 /nfs/dbraw/zinc/59/21/67/637592167.db2.gz ZDWCHGQSZCRXAT-HZMBPMFUSA-N 1 1 275.377 3.251 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+][C@H](C)c1nnc(-c2ccccc2)o1 ZINC000852098935 637592954 /nfs/dbraw/zinc/59/29/54/637592954.db2.gz ZMVFTVHKAFRNTB-WBMJQRKESA-N 1 1 269.348 3.189 20 30 CGEDMO C[C@@H]([NH2+]CC(C)(C)CC#N)c1c(O)cccc1F ZINC000886623359 637614305 /nfs/dbraw/zinc/61/43/05/637614305.db2.gz BQUWHYRONGZTAP-SNVBAGLBSA-N 1 1 250.317 3.122 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](C[C@@H](O)c2cc3ccccc3o2)C1 ZINC000852319753 637633037 /nfs/dbraw/zinc/63/30/37/637633037.db2.gz RIGHKPMTBVXRED-DZGCQCFKSA-N 1 1 284.359 3.092 20 30 CGEDMO Cc1cccc(C[N@@H+]2CCC[C@](C#N)(c3ccccn3)C2)c1 ZINC000852326091 637634495 /nfs/dbraw/zinc/63/44/95/637634495.db2.gz KVNBOYOTLUMCOK-LJQANCHMSA-N 1 1 291.398 3.447 20 30 CGEDMO Cc1cccc(C[N@H+]2CCC[C@](C#N)(c3ccccn3)C2)c1 ZINC000852326091 637634499 /nfs/dbraw/zinc/63/44/99/637634499.db2.gz KVNBOYOTLUMCOK-LJQANCHMSA-N 1 1 291.398 3.447 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2cn(Cc3ccccc3)nn2)C1 ZINC000852410687 637649575 /nfs/dbraw/zinc/64/95/75/637649575.db2.gz PLFKCBFNAUMZBK-MRXNPFEDSA-N 1 1 296.418 3.115 20 30 CGEDMO CCC1(CC)CCC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000852528490 637672215 /nfs/dbraw/zinc/67/22/15/637672215.db2.gz UTPDBOYBESEKDX-QGZVFWFLSA-N 1 1 286.419 3.494 20 30 CGEDMO C=CCC1(O)CC[NH+](Cc2csc(CCCC)n2)CC1 ZINC000886762158 637679434 /nfs/dbraw/zinc/67/94/34/637679434.db2.gz SAONVEASIVLPQQ-UHFFFAOYSA-N 1 1 294.464 3.389 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(N(C)C)cc1 ZINC000852688544 637696671 /nfs/dbraw/zinc/69/66/71/637696671.db2.gz VOKXMDKBWCFIKQ-CALCHBBNSA-N 1 1 256.393 3.436 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N[C@H](C)CCCCC ZINC000852687211 637696835 /nfs/dbraw/zinc/69/68/35/637696835.db2.gz QSXBYIGZKHWKGQ-OAGGEKHMSA-N 1 1 278.440 3.254 20 30 CGEDMO Cc1cc2ncn(C[N@H+]3CCC[C@H](CC#N)C3)c2cc1C ZINC000853525032 637861262 /nfs/dbraw/zinc/86/12/62/637861262.db2.gz BLAHBVIOUANODC-OAHLLOKOSA-N 1 1 282.391 3.236 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000853525261 637861539 /nfs/dbraw/zinc/86/15/39/637861539.db2.gz UJZDTSWPZQBMBX-CQSZACIVSA-N 1 1 284.403 3.397 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1nccc1-c1cccnc1 ZINC000853597591 637871442 /nfs/dbraw/zinc/87/14/42/637871442.db2.gz BYMQGTVMVGCYCB-IYBDPMFKSA-N 1 1 280.375 3.086 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@H]1COc1cccc(OCC#N)c1 ZINC000853720514 637901478 /nfs/dbraw/zinc/90/14/78/637901478.db2.gz ANFRCGYRDHKMPV-HNNXBMFYSA-N 1 1 288.391 3.231 20 30 CGEDMO C#CC[N@H+](CCC)Cc1ccc(OCCC)c(OC)c1 ZINC000302741372 637906924 /nfs/dbraw/zinc/90/69/24/637906924.db2.gz AXYFDJARKRTPMS-UHFFFAOYSA-N 1 1 275.392 3.329 20 30 CGEDMO Cc1[nH+]cn(-c2ccc(NC(=O)C#CC(C)C)cc2)c1C ZINC000854575856 638073102 /nfs/dbraw/zinc/07/31/02/638073102.db2.gz WJQLBZUXJBQZNO-UHFFFAOYSA-N 1 1 281.359 3.087 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)[C@@H](C)C1 ZINC000930326321 638277785 /nfs/dbraw/zinc/27/77/85/638277785.db2.gz ZFUVDLYGGIHNQE-NHYWBVRUSA-N 1 1 278.783 3.211 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000857201275 638472478 /nfs/dbraw/zinc/47/24/78/638472478.db2.gz UBTKOAUWRCKFOW-HZPDHXFCSA-N 1 1 298.430 3.195 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H](CC)c1cccc(C#N)c1O ZINC000925438322 638503116 /nfs/dbraw/zinc/50/31/16/638503116.db2.gz XEKJBHGSLXHVNN-LBPRGKRZSA-N 1 1 250.729 3.057 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)C1 ZINC000858051150 638622546 /nfs/dbraw/zinc/62/25/46/638622546.db2.gz INYAMVXURGLFMW-KBRIMQKVSA-N 1 1 297.402 3.104 20 30 CGEDMO COc1ccnc([C@@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)c1 ZINC000925926797 638656179 /nfs/dbraw/zinc/65/61/79/638656179.db2.gz SLHHVTLGFWKCGJ-CYBMUJFWSA-N 1 1 293.370 3.302 20 30 CGEDMO C#Cc1cccc(C[NH2+][C@@H](C)c2nc(C)cs2)c1 ZINC000858424753 638712574 /nfs/dbraw/zinc/71/25/74/638712574.db2.gz ZCPZQXQUNDKIOH-LBPRGKRZSA-N 1 1 256.374 3.284 20 30 CGEDMO C#Cc1cccc(C[NH2+][C@H](C)c2nc(C)cs2)c1 ZINC000858424752 638713219 /nfs/dbraw/zinc/71/32/19/638713219.db2.gz ZCPZQXQUNDKIOH-GFCCVEGCSA-N 1 1 256.374 3.284 20 30 CGEDMO C=C(C)[C@H]([NH2+][C@@H]1CCC1(OC)OC)c1ccc(F)c(F)c1 ZINC000926206307 638740632 /nfs/dbraw/zinc/74/06/32/638740632.db2.gz MDONCKMAVQEDGW-CABCVRRESA-N 1 1 297.345 3.323 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1cnn(C2CCC2)c1 ZINC000926881019 638820616 /nfs/dbraw/zinc/82/06/16/638820616.db2.gz RAXUGILODGBMPC-CYBMUJFWSA-N 1 1 272.396 3.343 20 30 CGEDMO C[C@@H]([NH2+]Cc1cccc2c1OCC2)c1cccc(C#N)c1O ZINC000927089728 638840089 /nfs/dbraw/zinc/84/00/89/638840089.db2.gz HQSVCFGRFVXRJS-GFCCVEGCSA-N 1 1 294.354 3.050 20 30 CGEDMO CCc1onc(C)c1C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000927138179 638846816 /nfs/dbraw/zinc/84/68/16/638846816.db2.gz DCWRRWINRKJJMR-JTQLQIEISA-N 1 1 287.338 3.407 20 30 CGEDMO CCCC[N@@H+](C[C@H](O)CC#N)[C@H](C)c1ccc(C)o1 ZINC000929406340 638924021 /nfs/dbraw/zinc/92/40/21/638924021.db2.gz YOMKAKLYFNHJIW-ZIAGYGMSSA-N 1 1 264.369 3.026 20 30 CGEDMO CC[C@H]1C[N@@H+](CCCCC2(C#N)CCC2)C[C@H](C)O1 ZINC000929618466 638934876 /nfs/dbraw/zinc/93/48/76/638934876.db2.gz AHVTWEIMBPPRLA-GJZGRUSLSA-N 1 1 264.413 3.350 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000929753102 638947091 /nfs/dbraw/zinc/94/70/91/638947091.db2.gz KZGKQMDPBPBPTA-AWEZNQCLSA-N 1 1 291.782 3.023 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCc1ccns1 ZINC000929757539 638947402 /nfs/dbraw/zinc/94/74/02/638947402.db2.gz SJCCUKHOAPQQPC-DLBZAZTESA-N 1 1 297.427 3.457 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCc1ccns1 ZINC000929757539 638947403 /nfs/dbraw/zinc/94/74/03/638947403.db2.gz SJCCUKHOAPQQPC-DLBZAZTESA-N 1 1 297.427 3.457 20 30 CGEDMO COC(=O)C1([N@@H+](C)CCCCC2(C#N)CCC2)CCCC1 ZINC000930039170 638970690 /nfs/dbraw/zinc/97/06/90/638970690.db2.gz IGVISHXCAYAOGV-UHFFFAOYSA-N 1 1 292.423 3.268 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](C)CCc1nccs1 ZINC000930088261 638973648 /nfs/dbraw/zinc/97/36/48/638973648.db2.gz WQGCNWUJLVRKIJ-UHFFFAOYSA-N 1 1 285.416 3.306 20 30 CGEDMO Cc1nc(C)c(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)[nH]1 ZINC000930156919 638978030 /nfs/dbraw/zinc/97/80/30/638978030.db2.gz ACKNBGLVOMFGMK-UHFFFAOYSA-N 1 1 292.386 3.188 20 30 CGEDMO C[C@H](C1CCCCC1)[N@@H+](C)Cc1cncc(C#N)c1 ZINC000930352070 638992263 /nfs/dbraw/zinc/99/22/63/638992263.db2.gz XOHTZZMCZKWFQA-CYBMUJFWSA-N 1 1 257.381 3.354 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)c1 ZINC000930365597 638993297 /nfs/dbraw/zinc/99/32/97/638993297.db2.gz QUHKLXNPDAMDLX-HOTGVXAUSA-N 1 1 290.794 3.355 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCOC[C@@H]2CC(F)F)CCC1 ZINC000930472767 639005333 /nfs/dbraw/zinc/00/53/33/639005333.db2.gz ZUTYUAFCGFUBCG-ZDUSSCGKSA-N 1 1 286.366 3.207 20 30 CGEDMO N#CC1(CCCC[N@@H+]2CCOC[C@@H]2CC(F)F)CCC1 ZINC000930472767 639005338 /nfs/dbraw/zinc/00/53/38/639005338.db2.gz ZUTYUAFCGFUBCG-ZDUSSCGKSA-N 1 1 286.366 3.207 20 30 CGEDMO COC(=O)[C@H](CC(C)C)[N@@H+](C)CCCCC1(C#N)CCC1 ZINC000930559059 639025912 /nfs/dbraw/zinc/02/59/12/639025912.db2.gz KGBZQWYTENFXLO-HNNXBMFYSA-N 1 1 294.439 3.370 20 30 CGEDMO N#CC1(CCCC[N@@H+]2CC[C@H](O)C23CCCC3)CCC1 ZINC000930574073 639029396 /nfs/dbraw/zinc/02/93/96/639029396.db2.gz ZPDKEEDTHUEYIQ-HNNXBMFYSA-N 1 1 276.424 3.230 20 30 CGEDMO CCc1nocc1C[N@H+](C)Cc1c(C)cc(C#N)cc1C ZINC000930580398 639030539 /nfs/dbraw/zinc/03/05/39/639030539.db2.gz FWNKMCRVKFKETC-UHFFFAOYSA-N 1 1 283.375 3.358 20 30 CGEDMO CCc1nocc1C[N@@H+](C)Cc1c(C)cc(C#N)cc1C ZINC000930580398 639030545 /nfs/dbraw/zinc/03/05/45/639030545.db2.gz FWNKMCRVKFKETC-UHFFFAOYSA-N 1 1 283.375 3.358 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2c(C)cc(C#N)cc2C)C[C@@H]1C ZINC000930638411 639043260 /nfs/dbraw/zinc/04/32/60/639043260.db2.gz NWOCEDNAUBQLIW-YOEHRIQHSA-N 1 1 272.392 3.032 20 30 CGEDMO Cc1cc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c(C)nn1 ZINC000930764770 639065755 /nfs/dbraw/zinc/06/57/55/639065755.db2.gz OBVDJFZCJGDEPE-CQSZACIVSA-N 1 1 280.375 3.158 20 30 CGEDMO C=CC[N@@H+](Cc1cccnc1C(F)(F)F)C(C)C ZINC000859080510 639073676 /nfs/dbraw/zinc/07/36/76/639073676.db2.gz LZZCLMUOYBOWAB-UHFFFAOYSA-N 1 1 258.287 3.497 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](C)c2snnc2C)C1 ZINC000930963759 639091225 /nfs/dbraw/zinc/09/12/25/639091225.db2.gz XOLLDWJDEHYUSX-NWDGAFQWSA-N 1 1 251.399 3.196 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](C[C@@H]2CCC3(CCCCCC3)O2)C1 ZINC000931062918 639105954 /nfs/dbraw/zinc/10/59/54/639105954.db2.gz NEMACHGXATUVNC-HOTGVXAUSA-N 1 1 276.424 3.494 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](C[C@@H]2CCC3(CCCCCC3)O2)C1 ZINC000931062918 639105961 /nfs/dbraw/zinc/10/59/61/639105961.db2.gz NEMACHGXATUVNC-HOTGVXAUSA-N 1 1 276.424 3.494 20 30 CGEDMO CC(C)CCO[C@@H]1CC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000931088192 639110381 /nfs/dbraw/zinc/11/03/81/639110381.db2.gz CPQPLEDYKGTESJ-OFLPRAFFSA-N 1 1 278.440 3.453 20 30 CGEDMO CC(C)c1ncc2c(n1)CC[N@H+](CC1CCC(C#N)CC1)C2 ZINC000931164742 639120672 /nfs/dbraw/zinc/12/06/72/639120672.db2.gz SJPJJJTTZFXZLM-UHFFFAOYSA-N 1 1 298.434 3.288 20 30 CGEDMO CC1(C)CC(C[N@@H+]2CCC[C@](C#N)(c3ccccn3)C2)C1 ZINC000859345465 639131599 /nfs/dbraw/zinc/13/15/99/639131599.db2.gz FHAOFSUDHSFSIR-GOSISDBHSA-N 1 1 283.419 3.375 20 30 CGEDMO CC1(C)CC(C[N@H+]2CCC[C@](C#N)(c3ccccn3)C2)C1 ZINC000859345465 639131602 /nfs/dbraw/zinc/13/16/02/639131602.db2.gz FHAOFSUDHSFSIR-GOSISDBHSA-N 1 1 283.419 3.375 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC000931366464 639141080 /nfs/dbraw/zinc/14/10/80/639141080.db2.gz UEDLNSVNFXPQOT-LBPRGKRZSA-N 1 1 275.783 3.495 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2nc(C)c3ccccc3n2)C1 ZINC000859445179 639142641 /nfs/dbraw/zinc/14/26/41/639142641.db2.gz LEVOYRNKHSEHBP-CQSZACIVSA-N 1 1 267.376 3.336 20 30 CGEDMO N#Cc1ccc(C[NH+]2CCC(c3ncco3)CC2)c(F)c1 ZINC000931451513 639150956 /nfs/dbraw/zinc/15/09/56/639150956.db2.gz VTAPOJUVFFPBNL-UHFFFAOYSA-N 1 1 285.322 3.065 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000931957360 639243855 /nfs/dbraw/zinc/24/38/55/639243855.db2.gz XPNBYBCCAPBROS-ZIAGYGMSSA-N 1 1 282.428 3.045 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](c2ccn(C)n2)C1 ZINC000932135736 639272103 /nfs/dbraw/zinc/27/21/03/639272103.db2.gz NETCYPNTAKMULT-RHSMWYFYSA-N 1 1 294.402 3.232 20 30 CGEDMO C[C@@H](CC[N@H+]1CCC[C@H](C#N)C1)OCc1ccccc1 ZINC000932147845 639274710 /nfs/dbraw/zinc/27/47/10/639274710.db2.gz HXGWXVRYMOHKAJ-DOTOQJQBSA-N 1 1 272.392 3.217 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000932187723 639291795 /nfs/dbraw/zinc/29/17/95/639291795.db2.gz MJLCDDBAGJTKAT-LBPRGKRZSA-N 1 1 262.422 3.387 20 30 CGEDMO C#CC[N@H+](CC(=O)Nc1c(C)cccc1C(C)C)C(C)C ZINC000932394124 639325114 /nfs/dbraw/zinc/32/51/14/639325114.db2.gz KRXCZLLBBBOBTQ-UHFFFAOYSA-N 1 1 286.419 3.401 20 30 CGEDMO C#CC[N@@H+](CC(=O)Nc1c(C)cccc1C(C)C)C(C)C ZINC000932394124 639325120 /nfs/dbraw/zinc/32/51/20/639325120.db2.gz KRXCZLLBBBOBTQ-UHFFFAOYSA-N 1 1 286.419 3.401 20 30 CGEDMO C#CC[N@H+](Cc1nnc(-c2cccc(F)c2)o1)C(C)(C)C ZINC000932464098 639337332 /nfs/dbraw/zinc/33/73/32/639337332.db2.gz LQDBRHVQIHKBRH-UHFFFAOYSA-N 1 1 287.338 3.109 20 30 CGEDMO C#CC[N@@H+](Cc1nnc(-c2cccc(F)c2)o1)C(C)(C)C ZINC000932464098 639337335 /nfs/dbraw/zinc/33/73/35/639337335.db2.gz LQDBRHVQIHKBRH-UHFFFAOYSA-N 1 1 287.338 3.109 20 30 CGEDMO Cc1nccn1CCCC[N@H+](C)Cc1cc(C#N)cs1 ZINC000933774270 639488556 /nfs/dbraw/zinc/48/85/56/639488556.db2.gz MUNVVMTXNPDQMU-UHFFFAOYSA-N 1 1 288.420 3.037 20 30 CGEDMO CO[C@H]1CC[C@@H]1[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000934121373 639545746 /nfs/dbraw/zinc/54/57/46/639545746.db2.gz LXQLBCUJMHUARD-HOTGVXAUSA-N 1 1 272.392 3.097 20 30 CGEDMO C=CCCCC[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000934328367 639584684 /nfs/dbraw/zinc/58/46/84/639584684.db2.gz AFLHHMQRQNCERE-ZDUSSCGKSA-N 1 1 250.411 3.364 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1CCC(=O)Nc1ccc(OCC)cc1 ZINC000934461070 639611781 /nfs/dbraw/zinc/61/17/81/639611781.db2.gz PMDBVKXULMXJLH-HNNXBMFYSA-N 1 1 288.391 3.064 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000934469851 639615216 /nfs/dbraw/zinc/61/52/16/639615216.db2.gz IHNKXLWODMYLFZ-FUHWJXTLSA-N 1 1 298.430 3.221 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1ccc(SC)cc1 ZINC000934471804 639615518 /nfs/dbraw/zinc/61/55/18/639615518.db2.gz MSMMRFRMMAOFFB-JSGCOSHPSA-N 1 1 290.432 3.386 20 30 CGEDMO C[C@@]1(C2CC2)COCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000934475090 639617329 /nfs/dbraw/zinc/61/73/29/639617329.db2.gz JLUBSSOKZQIXOM-INIZCTEOSA-N 1 1 276.424 3.351 20 30 CGEDMO C=CCCC[N@H+](CC)C[C@H](O)c1ccccc1F ZINC000934649222 639649924 /nfs/dbraw/zinc/64/99/24/639649924.db2.gz OJOIVUUDXMCPNN-HNNXBMFYSA-N 1 1 251.345 3.147 20 30 CGEDMO C=CCCC[N@@H+](CC)[C@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000934647714 639649973 /nfs/dbraw/zinc/64/99/73/639649973.db2.gz SEPWJUURYWFFHG-INIZCTEOSA-N 1 1 286.375 3.060 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000934647714 639649978 /nfs/dbraw/zinc/64/99/78/639649978.db2.gz SEPWJUURYWFFHG-INIZCTEOSA-N 1 1 286.375 3.060 20 30 CGEDMO C=CCCC[N@H+](CC)[C@@H](C)C(=O)NCc1cccs1 ZINC000934648831 639650055 /nfs/dbraw/zinc/65/00/55/639650055.db2.gz GCQKLQRXOWSMFV-ZDUSSCGKSA-N 1 1 280.437 3.041 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000934831698 639682086 /nfs/dbraw/zinc/68/20/86/639682086.db2.gz JMFJKNWTGKOHOZ-OALUTQOASA-N 1 1 298.430 3.391 20 30 CGEDMO C=C(C)c1cccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000934885858 639701416 /nfs/dbraw/zinc/70/14/16/639701416.db2.gz ZLVUATIENSJTEL-ALOPSCKCSA-N 1 1 299.418 3.466 20 30 CGEDMO NC(=[NH+]OCc1ccc(F)cc1)C1CCCCC1 ZINC000049066116 640080764 /nfs/dbraw/zinc/08/07/64/640080764.db2.gz MXXGLAJYBHWEGS-UHFFFAOYSA-N 1 1 250.317 3.195 20 30 CGEDMO C#CC[N@H+](Cc1ccco1)[C@@H]1CCc2ccccc21 ZINC000194986486 640561104 /nfs/dbraw/zinc/56/11/04/640561104.db2.gz BJGIOQCMLZOBNR-QGZVFWFLSA-N 1 1 251.329 3.402 20 30 CGEDMO C#CC[N@@H+](Cc1ccco1)[C@@H]1CCc2ccccc21 ZINC000194986486 640561106 /nfs/dbraw/zinc/56/11/06/640561106.db2.gz BJGIOQCMLZOBNR-QGZVFWFLSA-N 1 1 251.329 3.402 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCS[C@H](C)[C@H]2C)cc1 ZINC000245754756 640636068 /nfs/dbraw/zinc/63/60/68/640636068.db2.gz OKJFBSMWZHLLFH-MGPQQGTHSA-N 1 1 290.432 3.303 20 30 CGEDMO CC[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)Cc1ccccn1 ZINC000093338749 640768131 /nfs/dbraw/zinc/76/81/31/640768131.db2.gz PUQMQMURGWAKFQ-OAHLLOKOSA-N 1 1 295.386 3.395 20 30 CGEDMO CC[C@H]1C[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)CCS1 ZINC000093502155 640774459 /nfs/dbraw/zinc/77/44/59/640774459.db2.gz KSRJUPBUXZSMQE-BBRMVZONSA-N 1 1 290.432 3.305 20 30 CGEDMO C[C@H]1CCC[N@@H+](CCCOc2ccc(C#N)cc2)[C@H]1C ZINC000252172581 640840153 /nfs/dbraw/zinc/84/01/53/640840153.db2.gz OGSDQDOARTUQRK-GJZGRUSLSA-N 1 1 272.392 3.448 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cl)c(C)c2)C1 ZINC001008398734 640950510 /nfs/dbraw/zinc/95/05/10/640950510.db2.gz IUTLKUAQBIJHRW-AWEZNQCLSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C2(C)CCCCC2)C1 ZINC001008396222 640950739 /nfs/dbraw/zinc/95/07/39/640950739.db2.gz XCFSQYJLKIKDMT-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](CCC(C)(C)C)C2)C1 ZINC001008465176 640951541 /nfs/dbraw/zinc/95/15/41/640951541.db2.gz POGZLGMMAGNEGX-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)c2ccsc2)C1 ZINC001008502372 640951976 /nfs/dbraw/zinc/95/19/76/640951976.db2.gz OZYFJSFAZWRZQZ-ZFWWWQNUSA-N 1 1 292.448 3.008 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2cc(Cl)cs2)C1 ZINC001008751843 640953812 /nfs/dbraw/zinc/95/38/12/640953812.db2.gz VFEZWMXHAUGOHZ-LBPRGKRZSA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2cc(Cl)cs2)C1 ZINC001008751843 640953817 /nfs/dbraw/zinc/95/38/17/640953817.db2.gz VFEZWMXHAUGOHZ-LBPRGKRZSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(Cl)c2)C1 ZINC001009308116 640957498 /nfs/dbraw/zinc/95/74/98/640957498.db2.gz LPYCSWCZFRCLLU-HNNXBMFYSA-N 1 1 292.810 3.110 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2cccc(Cl)c2)C1 ZINC001009310558 640957972 /nfs/dbraw/zinc/95/79/72/640957972.db2.gz XZSGVGNHQRETGD-OAHLLOKOSA-N 1 1 292.810 3.110 20 30 CGEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC001009632419 640960852 /nfs/dbraw/zinc/96/08/52/640960852.db2.gz RQXJYRUZNRVBDJ-CRAIPNDOSA-N 1 1 298.430 3.028 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC001009632419 640960856 /nfs/dbraw/zinc/96/08/56/640960856.db2.gz RQXJYRUZNRVBDJ-CRAIPNDOSA-N 1 1 298.430 3.028 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)c2cc3cc(C)c(C)cc3o2)C1 ZINC001016007815 640989862 /nfs/dbraw/zinc/98/98/62/640989862.db2.gz XZGXMHOMSSNXMM-OAHLLOKOSA-N 1 1 298.386 3.040 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cc3cc(C)c(C)cc3o2)C1 ZINC001016007815 640989866 /nfs/dbraw/zinc/98/98/66/640989866.db2.gz XZGXMHOMSSNXMM-OAHLLOKOSA-N 1 1 298.386 3.040 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2Cl)C1 ZINC001016068638 640990864 /nfs/dbraw/zinc/99/08/64/640990864.db2.gz UCXLLSVGBZBEDX-CYBMUJFWSA-N 1 1 292.810 3.110 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001016316290 640993726 /nfs/dbraw/zinc/99/37/26/640993726.db2.gz LQNYMJVRJHTLNP-WMZOPIPTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cc3cc(C)ccc3o2)C1 ZINC001016330310 640995513 /nfs/dbraw/zinc/99/55/13/640995513.db2.gz RHJIKNNIYNXDFU-HNNXBMFYSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001016380614 640997773 /nfs/dbraw/zinc/99/77/73/640997773.db2.gz FHFOODQAEZHOFP-UYSNPLJNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1CCC ZINC001017721037 641016259 /nfs/dbraw/zinc/01/62/59/641016259.db2.gz TYDQIVFOMRIACN-CALCHBBNSA-N 1 1 298.430 3.114 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1CCC ZINC001017721037 641016263 /nfs/dbraw/zinc/01/62/63/641016263.db2.gz TYDQIVFOMRIACN-CALCHBBNSA-N 1 1 298.430 3.114 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)cc(C)c1 ZINC001018211873 641021021 /nfs/dbraw/zinc/02/10/21/641021021.db2.gz MCJQXLGWWLXFKT-HDICACEKSA-N 1 1 298.430 3.168 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC1CCCCC1 ZINC001018238189 641021193 /nfs/dbraw/zinc/02/11/93/641021193.db2.gz VIQIXKQTUYHBJK-CALCHBBNSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC1CCCCC1 ZINC001018238189 641021196 /nfs/dbraw/zinc/02/11/96/641021196.db2.gz VIQIXKQTUYHBJK-CALCHBBNSA-N 1 1 290.451 3.208 20 30 CGEDMO C[N@@H+](Cc1ccc(N(CCC#N)C2CCCC2)nc1)C1CC1 ZINC001165017440 721835729 /nfs/dbraw/zinc/83/57/29/721835729.db2.gz LYPRPOBATJNIBB-UHFFFAOYSA-N 1 1 298.434 3.338 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)CC1CCCC1 ZINC001155589249 805595325 /nfs/dbraw/zinc/59/53/25/805595325.db2.gz FCMHRXJVDVALIT-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)Cc1ccsc1C ZINC001155649193 805598853 /nfs/dbraw/zinc/59/88/53/805598853.db2.gz CVKLSBLXYIHRBW-CYBMUJFWSA-N 1 1 294.464 3.002 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)CCCCC(C)C ZINC001155895772 805623246 /nfs/dbraw/zinc/62/32/46/805623246.db2.gz YPUHPKRLKVBGOB-MRXNPFEDSA-N 1 1 280.456 3.053 20 30 CGEDMO Cc1ccc(CC#N)c(N(C)CCC(=O)c2cccs2)[nH+]1 ZINC001155963462 805629660 /nfs/dbraw/zinc/62/96/60/805629660.db2.gz GADDFZOIXIDASM-UHFFFAOYSA-N 1 1 299.399 3.227 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)CCC(C)(C)C ZINC001156366297 805677204 /nfs/dbraw/zinc/67/72/04/805677204.db2.gz FHKSTOAGSWFFDG-HUUCEWRRSA-N 1 1 282.472 3.461 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)CNC(=O)C[C@H]1CCCC(C)(C)C1 ZINC001156373964 805678611 /nfs/dbraw/zinc/67/86/11/805678611.db2.gz HCVSTIUUPLMJDY-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)C1CCC(C2CC2)CC1 ZINC001156677489 805724708 /nfs/dbraw/zinc/72/47/08/805724708.db2.gz VVBRHMYXWQZNGR-ODIFPOPNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)CCCc1cccs1 ZINC001156782198 805734320 /nfs/dbraw/zinc/73/43/20/805734320.db2.gz ZUOCIRNCOPPQQF-CQSZACIVSA-N 1 1 294.464 3.083 20 30 CGEDMO C=CC[N@H+](C[C@H](O)c1cccc(OC)c1)C(C)(C)C ZINC001250718393 805762258 /nfs/dbraw/zinc/76/22/58/805762258.db2.gz UYEFDEWUSQGFIJ-HNNXBMFYSA-N 1 1 263.381 3.015 20 30 CGEDMO CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)C#N ZINC001157718639 805858044 /nfs/dbraw/zinc/85/80/44/805858044.db2.gz VVBOWWVMHPPNHN-JKSUJKDBSA-N 1 1 293.455 3.039 20 30 CGEDMO C=CCn1cnn(C[N@H+](CC(C)C)C2CCCC2)c1=S ZINC001251346797 805886837 /nfs/dbraw/zinc/88/68/37/805886837.db2.gz LJXMXMNOHWVAME-UHFFFAOYSA-N 1 1 294.468 3.458 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C[N@H+](C)CCF ZINC001157994407 805911651 /nfs/dbraw/zinc/91/16/51/805911651.db2.gz NSJGPYSYGBIKDX-MRXNPFEDSA-N 1 1 296.430 3.037 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)CCF ZINC001157994407 805911656 /nfs/dbraw/zinc/91/16/56/805911656.db2.gz NSJGPYSYGBIKDX-MRXNPFEDSA-N 1 1 296.430 3.037 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC1(C)CC1 ZINC001158237504 805929589 /nfs/dbraw/zinc/92/95/89/805929589.db2.gz DWNXAYWYCDJMTK-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC1(C)C ZINC001158337102 805940455 /nfs/dbraw/zinc/94/04/55/805940455.db2.gz YXPUOHUEUVBHAM-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C1CCC(C(=O)N2CCCC[C@@H]2C[N@H+](C)CCF)CC1 ZINC001158435174 805954500 /nfs/dbraw/zinc/95/45/00/805954500.db2.gz VBRMYPJDRPHUAU-MRXNPFEDSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C1CCC(C(=O)N2CCCC[C@@H]2C[N@@H+](C)CCF)CC1 ZINC001158435174 805954502 /nfs/dbraw/zinc/95/45/02/805954502.db2.gz VBRMYPJDRPHUAU-MRXNPFEDSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1CC ZINC001158512980 805962615 /nfs/dbraw/zinc/96/26/15/805962615.db2.gz ZZVWCUNMQLYBOC-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H](C)CC(C)C ZINC001158723580 805990028 /nfs/dbraw/zinc/99/00/28/805990028.db2.gz FIKLOCNNOADZFD-DLBZAZTESA-N 1 1 292.467 3.005 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CC[C@H](COC)C1 ZINC001252123594 806012074 /nfs/dbraw/zinc/01/20/74/806012074.db2.gz JTBHYTYPBYXLHR-JKSUJKDBSA-N 1 1 271.445 3.066 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCCC[C@@](C)(O)C1 ZINC001252124336 806012677 /nfs/dbraw/zinc/01/26/77/806012677.db2.gz QSPWUJAPGZGTMN-IAGOWNOFSA-N 1 1 285.472 3.335 20 30 CGEDMO CCCCCCCC[C@H](O)C[NH+]1CC2(C1)CCCCO2 ZINC001252126533 806012702 /nfs/dbraw/zinc/01/27/02/806012702.db2.gz QFCLVCKSOURLNO-INIZCTEOSA-N 1 1 283.456 3.353 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1C[C@H](CO)CC[C@H]1C ZINC001252125509 806012876 /nfs/dbraw/zinc/01/28/76/806012876.db2.gz ZRRWTGPPWSGGPI-ZACQAIPSSA-N 1 1 285.472 3.191 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1CC(=O)C2 ZINC001252125372 806013188 /nfs/dbraw/zinc/01/31/88/806013188.db2.gz CJCLAZQZGPRCNG-OWCLPIDISA-N 1 1 281.440 3.294 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@@]12CCOC2 ZINC001252130206 806015405 /nfs/dbraw/zinc/01/54/05/806015405.db2.gz NNPHEGWTEDCZMC-IRXDYDNUSA-N 1 1 283.456 3.353 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@]2(CCO2)C1 ZINC001252130650 806015017 /nfs/dbraw/zinc/01/50/17/806015017.db2.gz VQPNYODRZICXRD-SJORKVTESA-N 1 1 283.456 3.353 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCOCC12CCC2 ZINC001252130524 806016118 /nfs/dbraw/zinc/01/61/18/806016118.db2.gz SMFQDHDZIIOCSB-INIZCTEOSA-N 1 1 283.456 3.353 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@@]12CCOC2 ZINC001252130207 806016637 /nfs/dbraw/zinc/01/66/37/806016637.db2.gz NNPHEGWTEDCZMC-SJORKVTESA-N 1 1 283.456 3.353 20 30 CGEDMO C=CCOC[C@@H](O)C[N@H+](C)[C@H](C)c1cccc2ccccc21 ZINC001252473411 806049337 /nfs/dbraw/zinc/04/93/37/806049337.db2.gz KTBTUTPXOIMPMZ-WBVHZDCISA-N 1 1 299.414 3.396 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)C=C(C)C)CC1 ZINC001159187513 806057630 /nfs/dbraw/zinc/05/76/30/806057630.db2.gz SPHYVFYTHQKTEN-MRXNPFEDSA-N 1 1 290.451 3.446 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+]1CC[C@@H](c2ccccc2Cl)C1 ZINC001252554947 806062921 /nfs/dbraw/zinc/06/29/21/806062921.db2.gz NCRIPTJCIHNAAK-IUODEOHRSA-N 1 1 265.784 3.066 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC001252556767 806063435 /nfs/dbraw/zinc/06/34/35/806063435.db2.gz DSMXZWWFMRZZDM-SJORKVTESA-N 1 1 259.393 3.193 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC=CCC2)CC1 ZINC001159237822 806064055 /nfs/dbraw/zinc/06/40/55/806064055.db2.gz ZSEKXDBGCBXAHG-KRWDZBQOSA-N 1 1 288.435 3.057 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1CCC[C@H](Oc2ccc(Cl)cc2)C1 ZINC001252560421 806066614 /nfs/dbraw/zinc/06/66/14/806066614.db2.gz ROMLJEADFHPMSD-HOTGVXAUSA-N 1 1 295.810 3.120 20 30 CGEDMO C=C[C@](C)(O)C[N@@H+](CC)Cc1ccc(C(F)(F)F)cc1 ZINC001252559050 806066692 /nfs/dbraw/zinc/06/66/92/806066692.db2.gz REMKLQARCICEBZ-AWEZNQCLSA-N 1 1 287.325 3.464 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1[C@H](CC)CO[C@]1(C)CCC(C)C ZINC001252560297 806066759 /nfs/dbraw/zinc/06/67/59/806066759.db2.gz QXCLEWCCESRNDU-OWCLPIDISA-N 1 1 269.429 3.187 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)CC(C)(C)C)CC1 ZINC001159286389 806075966 /nfs/dbraw/zinc/07/59/66/806075966.db2.gz BOZUUZKUBODUBP-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)/C(C)=C/CC)CC1 ZINC001159458112 806104638 /nfs/dbraw/zinc/10/46/38/806104638.db2.gz NHKUWLZYGUTOFJ-VIZOYTHASA-N 1 1 276.424 3.057 20 30 CGEDMO C=CCCC(=O)NCCC1=CC[N@@H+](CC=C(C)C)CC1 ZINC001159538918 806118399 /nfs/dbraw/zinc/11/83/99/806118399.db2.gz RQIPZDPRUGTAJL-UHFFFAOYSA-N 1 1 276.424 3.057 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+](C)Cc1ccccn1 ZINC001253227777 806184536 /nfs/dbraw/zinc/18/45/36/806184536.db2.gz MZKWOAPUFPHXKS-KRWDZBQOSA-N 1 1 276.424 3.401 20 30 CGEDMO COc1ccc2c(C)cc(NCCCS)[nH+]c2c1 ZINC001159869879 806187997 /nfs/dbraw/zinc/18/79/97/806187997.db2.gz VKWUZNKZJKWAQS-UHFFFAOYSA-N 1 1 262.378 3.284 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCCC(=O)[C@@H](C)C1 ZINC001253233862 806189113 /nfs/dbraw/zinc/18/91/13/806189113.db2.gz PHIBCUXKLJAPHZ-HOTGVXAUSA-N 1 1 281.440 3.175 20 30 CGEDMO C=CCCCCCC[C@H](O)CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC001253239747 806189979 /nfs/dbraw/zinc/18/99/79/806189979.db2.gz RTNJLOXGZKHTLR-MSOLQXFVSA-N 1 1 294.483 3.044 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+](CC)CCC#N ZINC001253239842 806190518 /nfs/dbraw/zinc/19/05/18/806190518.db2.gz UCJCMZAJHIYAKU-OAHLLOKOSA-N 1 1 252.402 3.109 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+](CC)CCC#N ZINC001253239842 806190524 /nfs/dbraw/zinc/19/05/24/806190524.db2.gz UCJCMZAJHIYAKU-OAHLLOKOSA-N 1 1 252.402 3.109 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC001253240976 806191654 /nfs/dbraw/zinc/19/16/54/806191654.db2.gz PZTYCMRPBXLFJE-IAGOWNOFSA-N 1 1 283.456 3.373 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1CCN(CC)CC1(C)C ZINC001253242563 806192631 /nfs/dbraw/zinc/19/26/31/806192631.db2.gz NFNDKESPGXKLGO-QGZVFWFLSA-N 1 1 296.499 3.290 20 30 CGEDMO C=CCCCCCC[C@@H](O)CN1CC[N@@H+](CC)CC1(C)C ZINC001253242563 806192638 /nfs/dbraw/zinc/19/26/38/806192638.db2.gz NFNDKESPGXKLGO-QGZVFWFLSA-N 1 1 296.499 3.290 20 30 CGEDMO C=CCCCCCC[C@@H](O)CN1CC[N@H+](CC)CC1(C)C ZINC001253242563 806192639 /nfs/dbraw/zinc/19/26/39/806192639.db2.gz NFNDKESPGXKLGO-QGZVFWFLSA-N 1 1 296.499 3.290 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)C[C@H](C)CC)CC1 ZINC001159933518 806202003 /nfs/dbraw/zinc/20/20/03/806202003.db2.gz DOJOVLIMFXPJED-OAHLLOKOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)/C=C(/C)CC)CC1 ZINC001160031521 806216023 /nfs/dbraw/zinc/21/60/23/806216023.db2.gz YLFZKNJWRGUQHI-QINSGFPZSA-N 1 1 276.424 3.057 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CCNC(=O)/C=C(/C)CC)CC1 ZINC001160042426 806217845 /nfs/dbraw/zinc/21/78/45/806217845.db2.gz CYCUOPXSXXZZJM-NXVVXOECSA-N 1 1 290.451 3.447 20 30 CGEDMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1cc(Cl)cc(C#N)n1)C2 ZINC001160469183 806275671 /nfs/dbraw/zinc/27/56/71/806275671.db2.gz QFRPMBDXHBRMJR-DEZZGGKRSA-N 1 1 290.798 3.034 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCCC1=CC[N@@H+](C(C)C)CC1 ZINC001160860851 806311174 /nfs/dbraw/zinc/31/11/74/806311174.db2.gz OBPDYEMHZBWIQH-UHFFFAOYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C[C@@H](C)[C@H](C)C(=O)NCCC1=CC[N@@H+](CCCC)CC1 ZINC001160942397 806325529 /nfs/dbraw/zinc/32/55/29/806325529.db2.gz YNOUPLBCVJAVLI-CVEARBPZSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1ncnc(Cl)c1C(C)C ZINC001160957167 806327665 /nfs/dbraw/zinc/32/76/65/806327665.db2.gz GWYBYNAYCFCZHR-LBPRGKRZSA-N 1 1 294.830 3.316 20 30 CGEDMO C=C[C@H](CC)CC(=O)NCCC1=CC[N@@H+](CCC)CC1 ZINC001160968768 806332064 /nfs/dbraw/zinc/33/20/64/806332064.db2.gz XLFMEXRTGBQPAY-OAHLLOKOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H](C)C2)CC1 ZINC001161035819 806340188 /nfs/dbraw/zinc/34/01/88/806340188.db2.gz BKORYASAHBZQNS-WBVHZDCISA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H](C)[C@H](C)CC)CC1 ZINC001161573611 806395288 /nfs/dbraw/zinc/39/52/88/806395288.db2.gz KYOSRISQZIDTPD-CVEARBPZSA-N 1 1 292.467 3.383 20 30 CGEDMO N#C[C@@H]1CC[C@@H](N2CCC3(CCC[N@H+]3CC3CC3)CC2)C1 ZINC001254660332 806477777 /nfs/dbraw/zinc/47/77/77/806477777.db2.gz XHEAWTWEWUCLIY-IAGOWNOFSA-N 1 1 287.451 3.019 20 30 CGEDMO N#C[C@H]1CC[C@H]([NH2+]Cc2c(F)cccc2Br)C1 ZINC001254658376 806478006 /nfs/dbraw/zinc/47/80/06/806478006.db2.gz VHMWYEWVXDUNSO-UWVGGRQHSA-N 1 1 297.171 3.370 20 30 CGEDMO C[N@@H+](Cc1ncccc1C(F)(F)F)[C@@H]1CC[C@H](C#N)C1 ZINC001254661564 806478671 /nfs/dbraw/zinc/47/86/71/806478671.db2.gz VLFWPXTYNIQFMW-WDEREUQCSA-N 1 1 283.297 3.224 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@@H+](Cc2ccccc2)C2CCOCC2)C1 ZINC001254669913 806479560 /nfs/dbraw/zinc/47/95/60/806479560.db2.gz WWHVAXMASYYRJV-AEFFLSMTSA-N 1 1 284.403 3.360 20 30 CGEDMO COc1ccc2c(c1)C[N@@H+]([C@@H]1CC[C@H](C#N)C1)CCC2 ZINC001254675824 806482747 /nfs/dbraw/zinc/48/27/47/806482747.db2.gz GTOKOAOZIVFQKC-XJKSGUPXSA-N 1 1 270.376 3.136 20 30 CGEDMO C[N@H+](Cc1cccc(F)c1F)[C@H]1CC[C@H](C#N)C1 ZINC001254673067 806482800 /nfs/dbraw/zinc/48/28/00/806482800.db2.gz GQYZATHPASKJPV-JQWIXIFHSA-N 1 1 250.292 3.089 20 30 CGEDMO C[N@@H+](Cc1cccc(F)c1F)[C@H]1CC[C@H](C#N)C1 ZINC001254673067 806482803 /nfs/dbraw/zinc/48/28/03/806482803.db2.gz GQYZATHPASKJPV-JQWIXIFHSA-N 1 1 250.292 3.089 20 30 CGEDMO COC(=O)c1ccc([C@@H]2CCC[N@H+]2[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC001254678526 806484291 /nfs/dbraw/zinc/48/42/91/806484291.db2.gz FHIXPCYRWSPTFT-XYPHTWIQSA-N 1 1 298.386 3.302 20 30 CGEDMO CN([C@@H]1CC[C@@H](C#N)C1)C1CC[NH+](C2CCCCC2)CC1 ZINC001254677235 806485165 /nfs/dbraw/zinc/48/51/65/806485165.db2.gz RKSBJUAQXQZUFS-CRAIPNDOSA-N 1 1 289.467 3.408 20 30 CGEDMO C#CC[N@H+](C1C[C@H]2CC(=O)C[C@@H]2C1)[C@@H]1CCc2ccccc21 ZINC001254952916 806518347 /nfs/dbraw/zinc/51/83/47/806518347.db2.gz IDZHCYWIROQGFU-TWOQFEAHSA-N 1 1 293.410 3.367 20 30 CGEDMO CC[C@@H](CC#N)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255130212 806550406 /nfs/dbraw/zinc/55/04/06/806550406.db2.gz RZNDTNBTNLKFRV-CADBVGFASA-N 1 1 297.446 3.464 20 30 CGEDMO CC[C@H](CC#N)[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2OCC1CC1 ZINC001255169800 806564465 /nfs/dbraw/zinc/56/44/65/806564465.db2.gz KKYZJAKQFFECPJ-WCXIOVBPSA-N 1 1 276.424 3.206 20 30 CGEDMO CC[C@@H](CC#N)[N@@H+]1CCCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001255166440 806564509 /nfs/dbraw/zinc/56/45/09/806564509.db2.gz KWOFKVBCCOWBOG-KGLIPLIRSA-N 1 1 295.427 3.058 20 30 CGEDMO CC[C@@H](CC#N)[N@H+]1CCCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001255166440 806564516 /nfs/dbraw/zinc/56/45/16/806564516.db2.gz KWOFKVBCCOWBOG-KGLIPLIRSA-N 1 1 295.427 3.058 20 30 CGEDMO CC[C@H](CC#N)[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC001255172955 806566365 /nfs/dbraw/zinc/56/63/65/806566365.db2.gz UOZAYMOILROVIA-CQSZACIVSA-N 1 1 276.355 3.361 20 30 CGEDMO CC[C@@H](CC#N)[N@@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001255174017 806566892 /nfs/dbraw/zinc/56/68/92/806566892.db2.gz HAWMNGGCOCWXTH-RDJZCZTQSA-N 1 1 283.375 3.094 20 30 CGEDMO CC[C@@H](CC#N)[N@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001255174017 806566899 /nfs/dbraw/zinc/56/68/99/806566899.db2.gz HAWMNGGCOCWXTH-RDJZCZTQSA-N 1 1 283.375 3.094 20 30 CGEDMO CC[C@H](CC#N)[N@@H+]1CCCN(c2ccc(F)cc2)CC1 ZINC001255176629 806569973 /nfs/dbraw/zinc/56/99/73/806569973.db2.gz CTCYNIVGZWYXFA-OAHLLOKOSA-N 1 1 275.371 3.030 20 30 CGEDMO CC[C@H](CC#N)[N@H+]1CCCN(c2ccc(F)cc2)CC1 ZINC001255176629 806569980 /nfs/dbraw/zinc/56/99/80/806569980.db2.gz CTCYNIVGZWYXFA-OAHLLOKOSA-N 1 1 275.371 3.030 20 30 CGEDMO CC[C@@H](CC#N)N1CC[N@H+](C2CCCCC2)[C@@H](C)C1 ZINC001255176916 806570381 /nfs/dbraw/zinc/57/03/81/806570381.db2.gz IHPQABGKPOYYBH-GJZGRUSLSA-N 1 1 263.429 3.017 20 30 CGEDMO C#CCCCNc1[nH+]ccc2c3c([nH]c21)CCCC3 ZINC001162440014 806586154 /nfs/dbraw/zinc/58/61/54/806586154.db2.gz JZPPVXZHGJUBRV-UHFFFAOYSA-N 1 1 253.349 3.267 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H]1CCC[C@@H](C(=O)OCC)C1 ZINC001255368706 806626970 /nfs/dbraw/zinc/62/69/70/806626970.db2.gz HEEKVRVEQTZULD-ZIAGYGMSSA-N 1 1 253.386 3.006 20 30 CGEDMO CC(C)(S)C[NH2+][C@@H]1CCCN(Cc2ccccc2)CC1 ZINC001255389771 806633734 /nfs/dbraw/zinc/63/37/34/806633734.db2.gz SQFAYBYGKRBGCM-MRXNPFEDSA-N 1 1 292.492 3.339 20 30 CGEDMO CC1(C)C[C@@H]([N@@H+](CCC#N)Cc2ccccc2)CCO1 ZINC001255534943 806667544 /nfs/dbraw/zinc/66/75/44/806667544.db2.gz JIWWMASHUJAVQX-INIZCTEOSA-N 1 1 272.392 3.360 20 30 CGEDMO CC[NH+](CC)Cc1c(Br)cccc1NCC#N ZINC001163187286 806716875 /nfs/dbraw/zinc/71/68/75/806716875.db2.gz FMAYABYPQHKZLR-UHFFFAOYSA-N 1 1 296.212 3.226 20 30 CGEDMO N#Cc1csc(C[NH2+]Cc2ccc(Br)o2)c1 ZINC000189506260 799122316 /nfs/dbraw/zinc/12/23/16/799122316.db2.gz GAGKDXTXGCKAHV-UHFFFAOYSA-N 1 1 297.177 3.265 20 30 CGEDMO CCCCCCCCCCCC[N@H+]1CCNC[C@H](O)C1 ZINC000312418740 799227706 /nfs/dbraw/zinc/22/77/06/799227706.db2.gz KDJHFEQTFBYBMR-KRWDZBQOSA-N 1 1 284.488 3.173 20 30 CGEDMO CCCCCCCCCCCCN1CC[NH2+]C[C@H](O)C1 ZINC000312418740 799227709 /nfs/dbraw/zinc/22/77/09/799227709.db2.gz KDJHFEQTFBYBMR-KRWDZBQOSA-N 1 1 284.488 3.173 20 30 CGEDMO C#CC[N@@H+](C)CCCNCc1cc(Cl)cc(Cl)c1 ZINC000328104946 799250468 /nfs/dbraw/zinc/25/04/68/799250468.db2.gz MHJGTYGVDCBXKO-UHFFFAOYSA-N 1 1 285.218 3.038 20 30 CGEDMO C#CC[C@H]([NH2+]CC(=C)Br)c1ccccc1 ZINC000379813549 799352663 /nfs/dbraw/zinc/35/26/63/799352663.db2.gz QLPFZLABFZOFHM-ZDUSSCGKSA-N 1 1 264.166 3.249 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](Nc2ccc(Cl)c(C#N)n2)[C@H](C)C1 ZINC001163365423 806748804 /nfs/dbraw/zinc/74/88/04/806748804.db2.gz ZWZGLSSBHGSMIE-DGCLKSJQSA-N 1 1 292.814 3.137 20 30 CGEDMO C[N@@H+](C[C@H](O)c1cccc(C#N)c1)CC1CCCCC1 ZINC000402292816 799561134 /nfs/dbraw/zinc/56/11/34/799561134.db2.gz YVMUZCITWADCLM-KRWDZBQOSA-N 1 1 272.392 3.104 20 30 CGEDMO CC(C)C[N@H+](CCC#N)CCc1c(F)cccc1F ZINC000402955985 799564061 /nfs/dbraw/zinc/56/40/61/799564061.db2.gz UOZJGLRCFREUEC-UHFFFAOYSA-N 1 1 266.335 3.379 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)CCc1c(F)cccc1F ZINC000402955985 799564064 /nfs/dbraw/zinc/56/40/64/799564064.db2.gz UOZJGLRCFREUEC-UHFFFAOYSA-N 1 1 266.335 3.379 20 30 CGEDMO C[C@@H]1C[C@@H](NCC2(C#N)CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000405110759 799581578 /nfs/dbraw/zinc/58/15/78/799581578.db2.gz SFITUVASRRQGMO-SJLPKXTDSA-N 1 1 297.446 3.323 20 30 CGEDMO C[C@@H]1C[C@@H](NCC2(C#N)CCCC2)C[N@H+]1Cc1ccccc1 ZINC000405110759 799581581 /nfs/dbraw/zinc/58/15/81/799581581.db2.gz SFITUVASRRQGMO-SJLPKXTDSA-N 1 1 297.446 3.323 20 30 CGEDMO N#CCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000425974266 799603644 /nfs/dbraw/zinc/60/36/44/799603644.db2.gz LIKPZFRWQIXLBF-UHFFFAOYSA-N 1 1 287.344 3.327 20 30 CGEDMO C#C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C ZINC000702231474 799905300 /nfs/dbraw/zinc/90/53/00/799905300.db2.gz DPLOJOQTMKGNSM-ZDUSSCGKSA-N 1 1 280.755 3.386 20 30 CGEDMO CCC[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC000708408172 799988768 /nfs/dbraw/zinc/98/87/68/799988768.db2.gz COPKCHUTWALWTQ-WMLDXEAASA-N 1 1 272.392 3.104 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](c2nccs2)C1 ZINC000710359273 800033838 /nfs/dbraw/zinc/03/38/38/800033838.db2.gz JEKHEIDDANKRSV-HNNXBMFYSA-N 1 1 283.400 3.313 20 30 CGEDMO N#Cc1cccc(OCCC[N@@H+]2CCC[C@H](CF)C2)c1 ZINC000711422922 800057531 /nfs/dbraw/zinc/05/75/31/800057531.db2.gz URVCDFUWRHLCJP-OAHLLOKOSA-N 1 1 276.355 3.009 20 30 CGEDMO C[C@H](CC#N)[N@H+](C)C[C@H](C)COCc1ccccc1 ZINC000719590188 800244480 /nfs/dbraw/zinc/24/44/80/800244480.db2.gz BHVHBBXZZPURKV-LSDHHAIUSA-N 1 1 260.381 3.073 20 30 CGEDMO C[C@@H]1[C@@H](Nc2ccc(C(F)(F)F)cc2C#N)CC[N@H+]1C ZINC000719605544 800245721 /nfs/dbraw/zinc/24/57/21/800245721.db2.gz ZAPQHANMGCCZNK-SKDRFNHKSA-N 1 1 283.297 3.082 20 30 CGEDMO C=C1CCC(C[NH2+]C2CCN(C(C)C)CC2)CC1 ZINC000724543408 800363177 /nfs/dbraw/zinc/36/31/77/800363177.db2.gz ZQSYTSJXLRQJEP-UHFFFAOYSA-N 1 1 250.430 3.195 20 30 CGEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CC[C@H]3C[C@H]32)cc1 ZINC000761094059 800381472 /nfs/dbraw/zinc/38/14/72/800381472.db2.gz NEQXPLWRAHKZHN-GXTWGEPZSA-N 1 1 281.277 3.031 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)Cc2cccc(F)c2)cc1 ZINC000809537632 800442982 /nfs/dbraw/zinc/44/29/82/800442982.db2.gz AGLDGUTWFOVPSF-UHFFFAOYSA-N 1 1 253.320 3.439 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)CCOc2ccccc2OC)cc1 ZINC000809550324 800444566 /nfs/dbraw/zinc/44/45/66/800444566.db2.gz ZUWAYBPGAXZLAW-UHFFFAOYSA-N 1 1 295.382 3.187 20 30 CGEDMO C=CC1(CC(=O)N2C[C@@H](C)[N@@H+](CC)[C@@H](C)C2)CCCCC1 ZINC001163886162 806846732 /nfs/dbraw/zinc/84/67/32/806846732.db2.gz ZPYPWJSOSZFWFT-IYBDPMFKSA-N 1 1 292.467 3.454 20 30 CGEDMO N#Cc1ccc(F)c(C[NH2+][C@@H](c2ccccn2)C2CC2)c1 ZINC000932375241 800660073 /nfs/dbraw/zinc/66/00/73/800660073.db2.gz MDULCBROXMWOBR-QGZVFWFLSA-N 1 1 281.334 3.333 20 30 CGEDMO C#CC[N@@H+](C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)C(C)C ZINC000932384761 800662496 /nfs/dbraw/zinc/66/24/96/800662496.db2.gz XSSILDPNTGZKGS-CABCVRRESA-N 1 1 294.439 3.023 20 30 CGEDMO COc1ccc(C#N)cc1C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000932384166 800662562 /nfs/dbraw/zinc/66/25/62/800662562.db2.gz QBRDYELFMGHDTL-GOSISDBHSA-N 1 1 293.370 3.203 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1C[C@H](O)c1ccc(F)cc1Cl ZINC000934459173 800678964 /nfs/dbraw/zinc/67/89/64/800678964.db2.gz BYXIVBGOTJCUFF-FZMZJTMJSA-N 1 1 269.747 3.163 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C=C2CCC2)[C@H]1C ZINC000993181950 800694455 /nfs/dbraw/zinc/69/44/55/800694455.db2.gz DAWOHDNQNAPACQ-GDBMZVCRSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)c2csc(Cl)c2)C1 ZINC001023631986 800713654 /nfs/dbraw/zinc/71/36/54/800713654.db2.gz AGNPAAAZULCJLI-LLVKDONJSA-N 1 1 298.839 3.029 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccoc2C(C)C)C1 ZINC001023769746 800715585 /nfs/dbraw/zinc/71/55/85/800715585.db2.gz FDEIVQHSKUKIJF-AWEZNQCLSA-N 1 1 290.407 3.031 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC001024380989 800726237 /nfs/dbraw/zinc/72/62/37/800726237.db2.gz UZNGCNLECXJUEE-AWEZNQCLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC1(C)C ZINC001024607515 800731691 /nfs/dbraw/zinc/73/16/91/800731691.db2.gz CVAQBAJVGJNRQI-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC1(C)C ZINC001024607718 800731708 /nfs/dbraw/zinc/73/17/08/800731708.db2.gz HVFGCUAAOVWBKP-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1CC ZINC001024620912 800732021 /nfs/dbraw/zinc/73/20/21/800732021.db2.gz FDVUFPTVEJUXQW-MRXNPFEDSA-N 1 1 286.419 3.019 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC001024745180 800735167 /nfs/dbraw/zinc/73/51/67/800735167.db2.gz PRPCIKYNOIJWLH-HZPDHXFCSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1CCCC1 ZINC001025193102 800746916 /nfs/dbraw/zinc/74/69/16/800746916.db2.gz RVOWRZABDXVXSD-IAGOWNOFSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(CC)CC ZINC001025199635 800748067 /nfs/dbraw/zinc/74/80/67/800748067.db2.gz YALLGPYTTHYPSY-DLBZAZTESA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC(C)C ZINC001025196022 800748282 /nfs/dbraw/zinc/74/82/82/800748282.db2.gz PYDLUNUBSLDXCO-SJORKVTESA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCC1CC1 ZINC001025214086 800749933 /nfs/dbraw/zinc/74/99/33/800749933.db2.gz UDSGNMTYRYLZBY-DLBZAZTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2=CCCC2)C1 ZINC001025380990 800759194 /nfs/dbraw/zinc/75/91/94/800759194.db2.gz NJWRPSGBYLZMAJ-NVXWUHKLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2=CCCC2)C1 ZINC001025380989 800759318 /nfs/dbraw/zinc/75/93/18/800759318.db2.gz NJWRPSGBYLZMAJ-DOTOQJQBSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)C(C)(C)CC)C1 ZINC001027549500 800800753 /nfs/dbraw/zinc/80/07/53/800800753.db2.gz FUWWMDFYYQZUGE-ZDUSSCGKSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)CC)C1 ZINC001027549500 800800760 /nfs/dbraw/zinc/80/07/60/800800760.db2.gz FUWWMDFYYQZUGE-ZDUSSCGKSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]([N@@H+](C)CC2CCC2)C1 ZINC001027560287 800802942 /nfs/dbraw/zinc/80/29/42/800802942.db2.gz VASHGFFPOOFBFQ-WMZOPIPTSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC23CCCC3)C1 ZINC001027639359 800806736 /nfs/dbraw/zinc/80/67/36/800806736.db2.gz VFDZVBKGJVEFCQ-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2cccc(C3CC3)c2)C1 ZINC001027697573 800814440 /nfs/dbraw/zinc/81/44/40/800814440.db2.gz ZGRCSVMYVXBRPZ-SFHVURJKSA-N 1 1 298.430 3.286 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1occc1Cl ZINC001028118883 800830988 /nfs/dbraw/zinc/83/09/88/800830988.db2.gz JCHPYSQNXBLCIM-LBPRGKRZSA-N 1 1 296.798 3.093 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CCC(C)C)CC1 ZINC001028117750 800831016 /nfs/dbraw/zinc/83/10/16/800831016.db2.gz SZLXUJIICCIAKE-KRWDZBQOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H]2CCC[N@H+]2C/C=C\Cl)CC1 ZINC001028116042 800831606 /nfs/dbraw/zinc/83/16/06/800831606.db2.gz BIDNLZGEBRFRDC-YHTRPRNISA-N 1 1 296.842 3.066 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2C/C=C\Cl)CC1 ZINC001028116042 800831611 /nfs/dbraw/zinc/83/16/11/800831611.db2.gz BIDNLZGEBRFRDC-YHTRPRNISA-N 1 1 296.842 3.066 20 30 CGEDMO C=C1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CCCC)CC1 ZINC001028118044 800832208 /nfs/dbraw/zinc/83/22/08/800832208.db2.gz VUQIRUPDLKJVMK-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)c(Cl)c1 ZINC001028114163 800832446 /nfs/dbraw/zinc/83/24/46/800832446.db2.gz CGTHQFFFEPUJQO-CQSZACIVSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc2ccccc2o1 ZINC001028302922 800839858 /nfs/dbraw/zinc/83/98/58/800839858.db2.gz HMRKDPPVSDPVSQ-HNNXBMFYSA-N 1 1 298.386 3.203 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)csc1Cl ZINC001028288048 800840861 /nfs/dbraw/zinc/84/08/61/800840861.db2.gz ZCTJZSFJQCNCPH-NSHDSACASA-N 1 1 298.839 3.090 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)c2cscc2C)C1 ZINC001028469165 800849155 /nfs/dbraw/zinc/84/91/55/800849155.db2.gz MWJZJPAAOSSNNX-AWEZNQCLSA-N 1 1 292.448 3.074 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)c2sccc2Cl)C1 ZINC001028557527 800849553 /nfs/dbraw/zinc/84/95/53/800849553.db2.gz GDXALWUCNVZBAE-NSHDSACASA-N 1 1 298.839 3.029 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001028562654 800850312 /nfs/dbraw/zinc/85/03/12/800850312.db2.gz RJABIKXUGFYENE-IAGOWNOFSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001028745513 800853046 /nfs/dbraw/zinc/85/30/46/800853046.db2.gz COFKDZWQLCGSTP-HOTGVXAUSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001028892324 800854280 /nfs/dbraw/zinc/85/42/80/800854280.db2.gz ZHLZCUMHQWTHLD-BRWVUGGUSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C(C)C)cc2)C1 ZINC001028945099 800856453 /nfs/dbraw/zinc/85/64/53/800856453.db2.gz KQPVCQTVQVVNLJ-HNNXBMFYSA-N 1 1 286.419 3.048 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001029011164 800858311 /nfs/dbraw/zinc/85/83/11/800858311.db2.gz FFVPWBUJODBINY-HOTGVXAUSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001029456711 800869252 /nfs/dbraw/zinc/86/92/52/800869252.db2.gz OULZMIGYXLHQBG-JZXOWHBKSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@H](C)CC)C1 ZINC001029465212 800869535 /nfs/dbraw/zinc/86/95/35/800869535.db2.gz RFQYBZANFYPHEU-BMFZPTHFSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCC1 ZINC001032557491 800929998 /nfs/dbraw/zinc/92/99/98/800929998.db2.gz JUVIBUCQOYILDN-HOTGVXAUSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)C1CCCCC1 ZINC001032680697 800934376 /nfs/dbraw/zinc/93/43/76/800934376.db2.gz QKLBLWQUCSIVIH-XIRDDKMYSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)C1CCCCC1 ZINC001032680697 800934379 /nfs/dbraw/zinc/93/43/79/800934379.db2.gz QKLBLWQUCSIVIH-XIRDDKMYSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC(C)(C)C1 ZINC001032808427 800936113 /nfs/dbraw/zinc/93/61/13/800936113.db2.gz XGVUQPNJJBGZNP-PMPSAXMXSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C)s2)C1 ZINC001032873986 800942060 /nfs/dbraw/zinc/94/20/60/800942060.db2.gz MWKSNGOOXBBTCH-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)CC2=CCCCC2)C1 ZINC001032963001 800945044 /nfs/dbraw/zinc/94/50/44/800945044.db2.gz JDSSOQUFPUYJOM-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C)cs2)C1 ZINC001033063480 800950463 /nfs/dbraw/zinc/95/04/63/800950463.db2.gz BNPPYJFOXZUAIW-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C(C)C)cc2)C1 ZINC001033614456 800971265 /nfs/dbraw/zinc/97/12/65/800971265.db2.gz UBDTWAMJAKBTEM-KRWDZBQOSA-N 1 1 286.419 3.142 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2sccc2CC)C1 ZINC001033683953 800972707 /nfs/dbraw/zinc/97/27/07/800972707.db2.gz JZLZNZIJXIJDAL-AWEZNQCLSA-N 1 1 292.448 3.033 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2sccc2C)C1 ZINC001033733468 800978166 /nfs/dbraw/zinc/97/81/66/800978166.db2.gz ZITLJZIFJULUSY-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC=CCC2)C1 ZINC001033754766 800982350 /nfs/dbraw/zinc/98/23/50/800982350.db2.gz ZKGPEHBPERRRIK-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCC=CCCC2)C1 ZINC001033871696 800985129 /nfs/dbraw/zinc/98/51/29/800985129.db2.gz GRNUWLBAHFVOCD-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001033851615 800985737 /nfs/dbraw/zinc/98/57/37/800985737.db2.gz RIXOJZSQYAQGOW-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCC2(C)C)C1 ZINC001033928166 800989529 /nfs/dbraw/zinc/98/95/29/800989529.db2.gz WGMDUKWNECQZRY-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001033961416 800990882 /nfs/dbraw/zinc/99/08/82/800990882.db2.gz SLPJVAIGLKXSTN-IXDOHACOSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2csc(C)c2)C1 ZINC001033992805 800992548 /nfs/dbraw/zinc/99/25/48/800992548.db2.gz YOMQGMQOVPEMFF-OAHLLOKOSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC23CCCC3)C1 ZINC001034016498 800992812 /nfs/dbraw/zinc/99/28/12/800992812.db2.gz IJLYADIFGHATRP-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccccc2Cl)C1 ZINC001034026314 800995042 /nfs/dbraw/zinc/99/50/42/800995042.db2.gz VDSFCZRSZBQRBB-CYBMUJFWSA-N 1 1 292.810 3.062 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C)cc2)C1 ZINC001034022399 800995664 /nfs/dbraw/zinc/99/56/64/800995664.db2.gz AYIARWUNIMEQNO-QGZVFWFLSA-N 1 1 286.419 3.108 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)C2CCCCC2)C1 ZINC001034079827 801000175 /nfs/dbraw/zinc/00/01/75/801000175.db2.gz AYSYFDRGECBOPR-OAHLLOKOSA-N 1 1 298.858 3.290 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)C2CCCCC2)C1 ZINC001034079827 801000179 /nfs/dbraw/zinc/00/01/79/801000179.db2.gz AYSYFDRGECBOPR-OAHLLOKOSA-N 1 1 298.858 3.290 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)c2coc(C)c2)C1 ZINC001034182359 801009595 /nfs/dbraw/zinc/00/95/95/801009595.db2.gz BFSKCJMRAFRYJY-INIZCTEOSA-N 1 1 290.407 3.139 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC2(C)C)C1 ZINC001034350742 801019328 /nfs/dbraw/zinc/01/93/28/801019328.db2.gz JTRICSWJBKKMEY-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)C2CCC(F)CC2)C1 ZINC001034386834 801022406 /nfs/dbraw/zinc/02/24/06/801022406.db2.gz GJTKHPSWHGNSIP-GPANFISMSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@H+](CCC(C)C)C2)C1 ZINC001034387965 801022900 /nfs/dbraw/zinc/02/29/00/801022900.db2.gz ZQUGMQUARVZXCT-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC001034389062 801022914 /nfs/dbraw/zinc/02/29/14/801022914.db2.gz MYLUNNUDSDZEBQ-CQSZACIVSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC001034389062 801022916 /nfs/dbraw/zinc/02/29/16/801022916.db2.gz MYLUNNUDSDZEBQ-CQSZACIVSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@H+](CC=C(C)C)C2)C1 ZINC001034386857 801023770 /nfs/dbraw/zinc/02/37/70/801023770.db2.gz GWPDZSHBBLNAEZ-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001034388569 801023879 /nfs/dbraw/zinc/02/38/79/801023879.db2.gz HLMYAHIPAAHPOI-BQFCYCMXSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2csc(Cl)c2)C1 ZINC001034434181 801026145 /nfs/dbraw/zinc/02/61/45/801026145.db2.gz JIIWMBANKYDOBM-LBPRGKRZSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2csc(C)c2)C1 ZINC001034441950 801026545 /nfs/dbraw/zinc/02/65/45/801026545.db2.gz ACTFYYZSGJXOLX-HNNXBMFYSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(Cl)s2)C1 ZINC001034511738 801030060 /nfs/dbraw/zinc/03/00/60/801030060.db2.gz CKKSTOUBQLRZDR-NSHDSACASA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](F)CC)CC2 ZINC001035211560 801055594 /nfs/dbraw/zinc/05/55/94/801055594.db2.gz LVWLAMRGBJEJIX-OAHLLOKOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)C1(C)CCC1)CC2 ZINC001035216340 801055635 /nfs/dbraw/zinc/05/56/35/801055635.db2.gz JOJYWWKTHODYST-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)C(=C)C)CC[C@@H]21 ZINC001036792124 801091162 /nfs/dbraw/zinc/09/11/62/801091162.db2.gz KNKJUPGJTJQVBB-HOTGVXAUSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(Cl)s1 ZINC001038988879 801139380 /nfs/dbraw/zinc/13/93/80/801139380.db2.gz MVZKPIIQRYUSTR-LLVKDONJSA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCCC1(C)C ZINC001039062129 801145896 /nfs/dbraw/zinc/14/58/96/801145896.db2.gz UWTIZTJQFCGZHE-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC2(C)CC2)C1 ZINC001039230368 801154623 /nfs/dbraw/zinc/15/46/23/801154623.db2.gz QJJMFDPOBPKJHY-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C=C(C)C)C1 ZINC001039206629 801154817 /nfs/dbraw/zinc/15/48/17/801154817.db2.gz NQXZDSUFAZZGJT-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC1CCCC1 ZINC001039327327 801157906 /nfs/dbraw/zinc/15/79/06/801157906.db2.gz KCNCFBOYWPCWJD-SJORKVTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C1CC1 ZINC001039361660 801160069 /nfs/dbraw/zinc/16/00/69/801160069.db2.gz CCAQWTYQPOSEIN-UAGQMJEPSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C(C)C ZINC001039823856 801166977 /nfs/dbraw/zinc/16/69/77/801166977.db2.gz WXPVILWPSBJUMW-GASCZTMLSA-N 1 1 278.440 3.062 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccccc3)C2)C1 ZINC001040043205 801171435 /nfs/dbraw/zinc/17/14/35/801171435.db2.gz DBVSPCVKGLRECB-LJQANCHMSA-N 1 1 298.430 3.191 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)C=C(C)C)C2)C1 ZINC001040051400 801171543 /nfs/dbraw/zinc/17/15/43/801171543.db2.gz QXMIVGGVTSCLMF-GOSISDBHSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)C=C)C2)C1 ZINC001040332913 801175865 /nfs/dbraw/zinc/17/58/65/801175865.db2.gz QDCJQMYQHMCYQO-GOSISDBHSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC(C)C)C2 ZINC001040330675 801175893 /nfs/dbraw/zinc/17/58/93/801175893.db2.gz DILHPIQJKOOFKT-SFHVURJKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)CC(C)(C)C)C2)C1 ZINC001041052352 801185282 /nfs/dbraw/zinc/18/52/82/801185282.db2.gz PXJOPWSVNVLSQU-MRXNPFEDSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)CC(C)(C)C)C2)C1 ZINC001041052352 801185285 /nfs/dbraw/zinc/18/52/85/801185285.db2.gz PXJOPWSVNVLSQU-MRXNPFEDSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)CC3(C)CC3)C2)C1 ZINC001041487392 801189771 /nfs/dbraw/zinc/18/97/71/801189771.db2.gz SEGXQHNLPPSVAL-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(CC)CC)C[C@@H]21 ZINC001041949400 801198807 /nfs/dbraw/zinc/19/88/07/801198807.db2.gz IHNDZPZINBHKAN-SJORKVTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)C(C)C)C[C@@H]21 ZINC001042073230 801199771 /nfs/dbraw/zinc/19/97/71/801199771.db2.gz POZZLHSZUGYCBN-CVEARBPZSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](CCC)[C@@H]2C1 ZINC001042077982 801200362 /nfs/dbraw/zinc/20/03/62/801200362.db2.gz SIFIUUCRWPWAJO-ZIAGYGMSSA-N 1 1 298.858 3.098 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(C=C)cc3)C[C@H]21 ZINC001042241312 801203432 /nfs/dbraw/zinc/20/34/32/801203432.db2.gz WGSZWCQXEFCLCB-FUHWJXTLSA-N 1 1 296.414 3.052 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(CC)(CC)CC)C[C@@H]21 ZINC001042290529 801203670 /nfs/dbraw/zinc/20/36/70/801203670.db2.gz PVTGHBYFQYDMGL-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)C3(C)CCCCC3)C[C@@H]21 ZINC001042217266 801203915 /nfs/dbraw/zinc/20/39/15/801203915.db2.gz WMALXBFLPIPYTB-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(C)cc(C)c3)C[C@@H]21 ZINC001042336745 801205224 /nfs/dbraw/zinc/20/52/24/801205224.db2.gz ZJLXYIJRVSVKHX-AEFFLSMTSA-N 1 1 298.430 3.026 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(C)ccc3C)C[C@@H]21 ZINC001042334870 801205368 /nfs/dbraw/zinc/20/53/68/801205368.db2.gz HWKHOQGSZMKORK-AEFFLSMTSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)CC[NH+]1CC(N(C)C(=O)c2cscc2Cl)C1 ZINC001043006993 801214480 /nfs/dbraw/zinc/21/44/80/801214480.db2.gz UMOLSXVVROYFOB-UHFFFAOYSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CCC[NH+]1CC(N(C)C(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001044090370 801228273 /nfs/dbraw/zinc/22/82/73/801228273.db2.gz KKVKPUFXUUCPAL-WKILWMFISA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCC2(C)C)CC1 ZINC001045527311 801277579 /nfs/dbraw/zinc/27/75/79/801277579.db2.gz GWHKKKZBOJEDLD-ZDUSSCGKSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCCC[C@]2(CC[N@H+](CC)C2)C1 ZINC001045964264 801296641 /nfs/dbraw/zinc/29/66/41/801296641.db2.gz DSRFEJYSUNGMSN-QZTJIDSGSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001046328340 801307951 /nfs/dbraw/zinc/30/79/51/801307951.db2.gz YDBHXKUFPWLISL-HDMKZQKVSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001046862763 801329630 /nfs/dbraw/zinc/32/96/30/801329630.db2.gz POKDBUJRYOTDET-MAUKXSAKSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)c2cccc(C3CC3)c2)C1 ZINC001046858898 801329947 /nfs/dbraw/zinc/32/99/47/801329947.db2.gz FUYBCSUVFAADCE-IBGZPJMESA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC1CCCC1 ZINC001049304547 801362217 /nfs/dbraw/zinc/36/22/17/801362217.db2.gz PQHSSXVEWMGUHO-SJORKVTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC1CCC1 ZINC001049396413 801369961 /nfs/dbraw/zinc/36/99/61/801369961.db2.gz KYJCLDMTFKRWCE-SJORKVTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(F)=C1CCCC1 ZINC001049419148 801371639 /nfs/dbraw/zinc/37/16/39/801371639.db2.gz MLHLUNKQVWQYFK-LSDHHAIUSA-N 1 1 292.398 3.035 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1=CCCC1 ZINC001049414220 801371730 /nfs/dbraw/zinc/37/17/30/801371730.db2.gz BVDREQFTUNFLBC-SJORKVTESA-N 1 1 288.435 3.128 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1(C)CCCC1 ZINC001049627300 801378515 /nfs/dbraw/zinc/37/85/15/801378515.db2.gz QXXDZTCCGGFVKI-HZPDHXFCSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC1(C)C ZINC001049660923 801381969 /nfs/dbraw/zinc/38/19/69/801381969.db2.gz AVUOTJXMYSEKHA-BZUAXINKSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCCF ZINC001049693403 801385188 /nfs/dbraw/zinc/38/51/88/801385188.db2.gz MPDGNUNGOOHWAQ-ZMSDIMECSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1(C(C)C)CC1 ZINC001049705099 801385993 /nfs/dbraw/zinc/38/59/93/801385993.db2.gz CVYGICJWFBXTPJ-CVEARBPZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(C)c1C ZINC001049876166 801390805 /nfs/dbraw/zinc/39/08/05/801390805.db2.gz OLXARIRCICERRV-QZTJIDSGSA-N 1 1 298.430 3.168 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2CCCN(C(=O)CCC3CCCC3)[C@@H]2C1 ZINC001049959172 801394518 /nfs/dbraw/zinc/39/45/18/801394518.db2.gz TWLKXQAXLIOVPM-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccccc2)CC1 ZINC001052168762 801422020 /nfs/dbraw/zinc/42/20/20/801422020.db2.gz HKEOQZRXYVHXQZ-OAHLLOKOSA-N 1 1 292.810 3.023 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2C=CCC2)CC1 ZINC001052187744 801425027 /nfs/dbraw/zinc/42/50/27/801425027.db2.gz OZSCQCLZTYXKSU-HUUCEWRRSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CC2=CCCCC2)CC1 ZINC001052257410 801429218 /nfs/dbraw/zinc/42/92/18/801429218.db2.gz LHUQPVBMNRPUGI-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccoc2CC)CC1 ZINC001052347830 801431352 /nfs/dbraw/zinc/43/13/52/801431352.db2.gz RNXAIONMGKAMOO-CQSZACIVSA-N 1 1 290.407 3.002 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)=C2CCC2)CC1 ZINC001052368136 801432529 /nfs/dbraw/zinc/43/25/29/801432529.db2.gz HHNPCAYCGCLPFZ-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C2CC(C)(C)C2)CC1 ZINC001052356901 801433443 /nfs/dbraw/zinc/43/34/43/801433443.db2.gz KSSKCHJRACZEDQ-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@]2(C)CC=CCC2)CC1 ZINC001052412116 801434504 /nfs/dbraw/zinc/43/45/04/801434504.db2.gz PVEGCFKEYPENEB-SJLPKXTDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)C2(C3CCC3)CCC2)CC1 ZINC001052601364 801439356 /nfs/dbraw/zinc/43/93/56/801439356.db2.gz IOOSMOPWMWQVAO-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CCCC)CC2)cc1 ZINC001052615108 801440895 /nfs/dbraw/zinc/44/08/95/801440895.db2.gz FUYWYXVUXPAYDM-GOSISDBHSA-N 1 1 298.430 3.052 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC2(C)C)CC1 ZINC001052638416 801442333 /nfs/dbraw/zinc/44/23/33/801442333.db2.gz YGMPBWOQSOLHKS-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2occc2C(C)C)CC1 ZINC001052650941 801444868 /nfs/dbraw/zinc/44/48/68/801444868.db2.gz BMWHZZINIJIJDU-AWEZNQCLSA-N 1 1 290.407 3.173 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC23CCCC3)CC1 ZINC001052843064 801453458 /nfs/dbraw/zinc/45/34/58/801453458.db2.gz ARIWBUZLWBOEGE-CVEARBPZSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2CC)CC1 ZINC001052955280 801458573 /nfs/dbraw/zinc/45/85/73/801458573.db2.gz BZPNTWLPWXPVLU-CQSZACIVSA-N 1 1 292.448 3.081 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(F)s2)CC1 ZINC001052969699 801459598 /nfs/dbraw/zinc/45/95/98/801459598.db2.gz RJWBYIIUCZUENM-GFCCVEGCSA-N 1 1 296.411 3.048 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@@]2(CC[N@H+](CCC)C2)C1 ZINC001054192443 801479763 /nfs/dbraw/zinc/47/97/63/801479763.db2.gz YQFOMZRPYCLFFZ-MSOLQXFVSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@H+]1Cc2ccc(CNC(=O)c3ccoc3)cc2C1 ZINC001054256387 801481522 /nfs/dbraw/zinc/48/15/22/801481522.db2.gz XWSWBSHSNGQHNI-UHFFFAOYSA-N 1 1 296.370 3.101 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2ccc(C)o2)CC[C@H]1C ZINC001071332540 801528083 /nfs/dbraw/zinc/52/80/83/801528083.db2.gz SFVHOSPUSGBCPF-UKRRQHHQSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C=C2CCCCC2)CC[C@H]1C ZINC001071373618 801532371 /nfs/dbraw/zinc/53/23/71/801532371.db2.gz MBKPRGBQPNUZDV-NVXWUHKLSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2c(C)coc2C)CC[C@@H]1C ZINC001071475974 801538259 /nfs/dbraw/zinc/53/82/59/801538259.db2.gz CKNOAPBFICHMJS-ZFWWWQNUSA-N 1 1 290.407 3.055 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)C2(F)CCCC2)CC[C@@H]1C ZINC001071623747 801544892 /nfs/dbraw/zinc/54/48/92/801544892.db2.gz BPFIVPMNVXBXKM-LSDHHAIUSA-N 1 1 296.430 3.204 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C2(C3CC3)CCC2)CC[C@H]1C ZINC001071709562 801547201 /nfs/dbraw/zinc/54/72/01/801547201.db2.gz ZZRLRZJSYPQWIE-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CCC)C2)CC1 ZINC001071795377 801552651 /nfs/dbraw/zinc/55/26/51/801552651.db2.gz KFSHGMQZMLLUIH-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC3CCC3)C2)C1 ZINC001071803276 801553776 /nfs/dbraw/zinc/55/37/76/801553776.db2.gz JYRTTZBVNIOHBC-GOEBONIOSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C=C)cc2)CC[C@@H]1C ZINC001071834666 801555043 /nfs/dbraw/zinc/55/50/43/801555043.db2.gz AYETXRHUROUPNZ-YOEHRIQHSA-N 1 1 284.403 3.098 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)ccc2C)CC[C@@H]1C ZINC001072031000 801560070 /nfs/dbraw/zinc/56/00/70/801560070.db2.gz ZKYZLJSBISKECK-HOTGVXAUSA-N 1 1 286.419 3.072 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2Cl)CC[C@H]1C ZINC001072016573 801560361 /nfs/dbraw/zinc/56/03/61/801560361.db2.gz SMYXATGWHNKVPC-OLZOCXBDSA-N 1 1 292.810 3.109 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2ccc(C3CC3)cc2)CC[C@H]1C ZINC001072088634 801563014 /nfs/dbraw/zinc/56/30/14/801563014.db2.gz NYBOVQHKRFYOKR-RDTXWAMCSA-N 1 1 298.430 3.333 20 30 CGEDMO C=C(C)C[N@H+]1CCC2(CN(C(=O)CC3(C)CCCC3)C2)C1 ZINC001072691118 801572877 /nfs/dbraw/zinc/57/28/77/801572877.db2.gz VJYFRALVYSZYQH-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2sccc2C)C1 ZINC001079366697 801643079 /nfs/dbraw/zinc/64/30/79/801643079.db2.gz VKXXGJFQSIKRIK-ZIAGYGMSSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CCC(=C)CC2)C1 ZINC001080391393 801651970 /nfs/dbraw/zinc/65/19/70/801651970.db2.gz AWHTZTBXMYPQRF-NVXWUHKLSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2csc(Cl)c2)C1 ZINC001080561902 801653541 /nfs/dbraw/zinc/65/35/41/801653541.db2.gz WUJGODKZLJVQIU-ZYHUDNBSSA-N 1 1 298.839 3.028 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001080891542 801656737 /nfs/dbraw/zinc/65/67/37/801656737.db2.gz QPAHUIRLLLXAOT-UKRRQHHQSA-N 1 1 298.386 3.059 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(C)CCC(C)=C(C)C2)C1 ZINC001081019860 801659932 /nfs/dbraw/zinc/65/99/32/801659932.db2.gz HUVXYJDOMWTHCT-JFIYKMOQSA-N 1 1 290.451 3.136 20 30 CGEDMO CC(C)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1cccc(C#N)c1 ZINC001256615898 806926417 /nfs/dbraw/zinc/92/64/17/806926417.db2.gz CHBAGTGHBLDYBX-XVLXNVKGSA-N 1 1 297.446 3.470 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CCCCC1 ZINC001085461622 801689323 /nfs/dbraw/zinc/68/93/23/801689323.db2.gz KNJSWSRCTCVWFR-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)cc(C)c1 ZINC001085943914 801712082 /nfs/dbraw/zinc/71/20/82/801712082.db2.gz UYCCJXQEMAEXCU-KRWDZBQOSA-N 1 1 286.419 3.026 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)cc(C)c1 ZINC001085943324 801712165 /nfs/dbraw/zinc/71/21/65/801712165.db2.gz FGLLXAHAOMUMMX-KRWDZBQOSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(Cl)s1 ZINC001085959276 801713000 /nfs/dbraw/zinc/71/30/00/801713000.db2.gz XYMGZMUTMNCINK-LLVKDONJSA-N 1 1 298.839 3.124 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(Cl)s1 ZINC001085959276 801713005 /nfs/dbraw/zinc/71/30/05/801713005.db2.gz XYMGZMUTMNCINK-LLVKDONJSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)ccc1C ZINC001085945814 801714389 /nfs/dbraw/zinc/71/43/89/801714389.db2.gz RLOFINWVPDSIGQ-INIZCTEOSA-N 1 1 286.419 3.026 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(C)c1C ZINC001085955212 801714782 /nfs/dbraw/zinc/71/47/82/801714782.db2.gz URHQDYSNDMPADT-INIZCTEOSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCCC1(C)C ZINC001085991097 801717096 /nfs/dbraw/zinc/71/70/96/801717096.db2.gz GBFBWJMVSGQOQI-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2(C3CC3)CC2)[C@H]1CC ZINC001087614914 801759888 /nfs/dbraw/zinc/75/98/88/801759888.db2.gz TXGCDLYOFMSUCX-JKSUJKDBSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C(C)(C)C)C[C@@H]2C1 ZINC001088064310 801772787 /nfs/dbraw/zinc/77/27/87/801772787.db2.gz XSYABIZEHXSPJV-CABCVRRESA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CC=CCC2)[C@H]1C ZINC001088588877 801802177 /nfs/dbraw/zinc/80/21/77/801802177.db2.gz FFAAPZTWFQZIQT-SOLBZPMBSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C=C)cc2)[C@H]1C ZINC001088874095 801812423 /nfs/dbraw/zinc/81/24/23/801812423.db2.gz LHSAYEZZUFQJBQ-PBHICJAKSA-N 1 1 284.403 3.098 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCCC(C)(C)C2)[C@H]1C ZINC001088980289 801816576 /nfs/dbraw/zinc/81/65/76/801816576.db2.gz CQCYPHVKXNVXDS-PMPSAXMXSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CC)CC1 ZINC001089688698 801849582 /nfs/dbraw/zinc/84/95/82/801849582.db2.gz YHMMRAZJKXWVMK-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC1(C)C)C2 ZINC001097681110 801903696 /nfs/dbraw/zinc/90/36/96/801903696.db2.gz WCKUTFGVEMAKNF-FPCVCCKLSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C)cc1C)C2 ZINC001098317420 801909398 /nfs/dbraw/zinc/90/93/98/801909398.db2.gz VYFPAQVRRFEMBR-NXHRZFHOSA-N 1 1 298.430 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)/C=C/C1CC1 ZINC001099007953 801923776 /nfs/dbraw/zinc/92/37/76/801923776.db2.gz KRIMSNDWAYATFL-WAVCKPEOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@]1(C)C=CCC1 ZINC001099164668 801929602 /nfs/dbraw/zinc/92/96/02/801929602.db2.gz FWUBFNPBQRBTDU-CRAIPNDOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cccc(C)c2C)C1 ZINC001099143761 801930963 /nfs/dbraw/zinc/93/09/63/801930963.db2.gz QXFWEKOUGYVKEX-LPHOPBHVSA-N 1 1 298.430 3.074 20 30 CGEDMO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCC(C)C ZINC001099244516 801933959 /nfs/dbraw/zinc/93/39/59/801933959.db2.gz AWPGIDABZZQHHU-INIZCTEOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1(C)CC=CC1 ZINC001099215480 801934068 /nfs/dbraw/zinc/93/40/68/801934068.db2.gz VDINWXSSUHTHCO-OAHLLOKOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)CC ZINC001099203749 801934990 /nfs/dbraw/zinc/93/49/90/801934990.db2.gz RHARXFMFZXGJSR-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H](C)CC)C[C@]2(C)C1 ZINC001101219017 801976633 /nfs/dbraw/zinc/97/66/33/801976633.db2.gz PLDWTNOOABZOLG-JZXOWHBKSA-N 1 1 292.467 3.169 20 30 CGEDMO CCCCCCC[N@@H+]1C[C@@H](CNC(=O)CCC)[C@H](C)C1 ZINC001101683330 801985270 /nfs/dbraw/zinc/98/52/70/801985270.db2.gz YJFWOSCYUFJFRE-HZPDHXFCSA-N 1 1 282.472 3.441 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)CCC2CCC2)[C@H](C)C1 ZINC001101860526 801994412 /nfs/dbraw/zinc/99/44/12/801994412.db2.gz FLNLQUKITVHIOY-IUODEOHRSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](C[C@H](C)CC)C[C@H]1C ZINC001102219755 801999431 /nfs/dbraw/zinc/99/94/31/801999431.db2.gz UAQBBJYBIHXNMV-BZUAXINKSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](CNC(=O)C(C)(C)C(=C)C)[C@H](C)C1 ZINC001102221616 802000202 /nfs/dbraw/zinc/00/02/02/802000202.db2.gz YFNNNORSOTURDK-HZPDHXFCSA-N 1 1 292.467 3.239 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)C2(CC)CCC2)[C@H](C)C1 ZINC001102256272 802001986 /nfs/dbraw/zinc/00/19/86/802001986.db2.gz JNYKRVAMVHMLLX-TZMCWYRMSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H]1C[N@@H+](CC=C(C)C)C[C@H]1C ZINC001102325874 802004021 /nfs/dbraw/zinc/00/40/21/802004021.db2.gz DEAYYYBZDZSNAO-JFIYKMOQSA-N 1 1 292.467 3.239 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)C(CCC)CCC)[C@H](C)C1 ZINC001102288398 802004443 /nfs/dbraw/zinc/00/44/43/802004443.db2.gz BBOUIAIDUMJDGJ-NVXWUHKLSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@@](C)(C=C)CC)[C@H](C)C1 ZINC001102327482 802004983 /nfs/dbraw/zinc/00/49/83/802004983.db2.gz ZXDKQDXIVGYJOA-NUJGCVRESA-N 1 1 292.467 3.239 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](CCC)C(C)C)[C@H](C)C1 ZINC001102418375 802006760 /nfs/dbraw/zinc/00/67/60/802006760.db2.gz TWTVDQWZIAMYAS-ZACQAIPSSA-N 1 1 294.483 3.319 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H]2C[N@@H+](CCCCC)C[C@H]2C)C1 ZINC001102349832 802007423 /nfs/dbraw/zinc/00/74/23/802007423.db2.gz WSWIFSGLSVIZRH-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC)C1 ZINC001102637541 802015324 /nfs/dbraw/zinc/01/53/24/802015324.db2.gz JGAHLSDWZWQUJW-OWCLPIDISA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2=CCCCC2)C1 ZINC001102777306 802019966 /nfs/dbraw/zinc/01/99/66/802019966.db2.gz FCGVMGQMPOVCID-NVXWUHKLSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)CC)C1 ZINC001102913595 802024234 /nfs/dbraw/zinc/02/42/34/802024234.db2.gz QTACEIRDBKTJMV-ARFHVFGLSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)CC)C1 ZINC001102913596 802024515 /nfs/dbraw/zinc/02/45/15/802024515.db2.gz QTACEIRDBKTJMV-BZUAXINKSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[C@@H]1C[N@@H+](C[C@H](F)CC)C[C@H]1C ZINC001103311720 802029503 /nfs/dbraw/zinc/02/95/03/802029503.db2.gz HZEARYAQLISKAN-RBSFLKMASA-N 1 1 298.446 3.021 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC2(C)C)C1 ZINC001103332215 802030594 /nfs/dbraw/zinc/03/05/94/802030594.db2.gz LDYXSSYYGTUMGH-BZUAXINKSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NCC[C@@H]1C[N@@H+](CCCF)C[C@H]1C ZINC001103346136 802031099 /nfs/dbraw/zinc/03/10/99/802031099.db2.gz FHWCNPQNHAAUCU-OWCLPIDISA-N 1 1 298.446 3.023 20 30 CGEDMO C=CCCCC(=O)NCC[C@@H]1C[N@@H+](CC[C@@H](C)F)C[C@H]1C ZINC001103382616 802033933 /nfs/dbraw/zinc/03/39/33/802033933.db2.gz OPTYHBAHTZMSHJ-BZUAXINKSA-N 1 1 298.446 3.165 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001103454098 802034636 /nfs/dbraw/zinc/03/46/36/802034636.db2.gz HCXJCMCXTCNMDA-QBPKDAKJSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC(C)(C)C(=O)NCC[C@@H]1C[N@H+](CCCF)C[C@H]1C ZINC001103474629 802034967 /nfs/dbraw/zinc/03/49/67/802034967.db2.gz FZAHVIIFXZYWMA-HUUCEWRRSA-N 1 1 298.446 3.023 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)CCC)CCC[C@@H]12 ZINC001107341578 802084958 /nfs/dbraw/zinc/08/49/58/802084958.db2.gz OEWYETDKGLXYDF-JFIYKMOQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)CCC(C)(C)C)CCC[C@@H]12 ZINC001107583039 802089207 /nfs/dbraw/zinc/08/92/07/802089207.db2.gz MDPCAJSXIWYOSG-CRAIPNDOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1)C2 ZINC001108868316 802101529 /nfs/dbraw/zinc/10/15/29/802101529.db2.gz YJQZUNJKWUVQND-BGTYHANMSA-N 1 1 298.430 3.376 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC(=C)C)C2 ZINC001109353722 802114799 /nfs/dbraw/zinc/11/47/99/802114799.db2.gz UKZFCPVSVVQXOT-PMPSAXMXSA-N 1 1 276.424 3.030 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCC1 ZINC001109602957 802119069 /nfs/dbraw/zinc/11/90/69/802119069.db2.gz CIHKHMXOCZKFFD-PMPSAXMXSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC ZINC001109678880 802122992 /nfs/dbraw/zinc/12/29/92/802122992.db2.gz KZCRYYKFALWWTM-AESZEHBQSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(C)C)CCC1 ZINC001109680621 802123703 /nfs/dbraw/zinc/12/37/03/802123703.db2.gz QUBCJJDKPJQIMV-PMPSAXMXSA-N 1 1 290.451 3.110 20 30 CGEDMO CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC1)C2 ZINC001110225977 802131859 /nfs/dbraw/zinc/13/18/59/802131859.db2.gz BWJDANNFGIZULA-OAGGEKHMSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCCC)C2 ZINC001110289314 802136279 /nfs/dbraw/zinc/13/62/79/802136279.db2.gz DWTRPUXSLLYCMN-OAGGEKHMSA-N 1 1 278.440 3.254 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(CC(C)C)CCC1)C2 ZINC001110799495 802146452 /nfs/dbraw/zinc/14/64/52/802146452.db2.gz VJJPPETVBFUTBK-OAGGEKHMSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@](C)(F)CCCC)C2 ZINC001110742725 802146598 /nfs/dbraw/zinc/14/65/98/802146598.db2.gz PSMJKLQUYWSMQE-AIANPOQGSA-N 1 1 296.430 3.202 20 30 CGEDMO C=C/C(C)=C/CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(=C)C ZINC001110914644 802148793 /nfs/dbraw/zinc/14/87/93/802148793.db2.gz JENGUIXNZKVLOH-CJPAVQFOSA-N 1 1 288.435 3.197 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)CC)C2 ZINC001110969008 802152301 /nfs/dbraw/zinc/15/23/01/802152301.db2.gz MEKGAWDNFUKWSU-KFWWJZLASA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C)CC=CC1)C2 ZINC001110979915 802153097 /nfs/dbraw/zinc/15/30/97/802153097.db2.gz IRWTUPIHFFPAQI-OAGGEKHMSA-N 1 1 288.435 3.030 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC(C)C)C2 ZINC001111053132 802153963 /nfs/dbraw/zinc/15/39/63/802153963.db2.gz QWAHUOAQMVMHTH-OAGGEKHMSA-N 1 1 278.440 3.110 20 30 CGEDMO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](C/C=C\Cl)C2 ZINC001111766150 802168098 /nfs/dbraw/zinc/16/80/98/802168098.db2.gz WZPCNOQFWXILGR-HXPJDEOWSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)/C=C(\C)CC)C1 ZINC001111737935 802168930 /nfs/dbraw/zinc/16/89/30/802168930.db2.gz SLXWTQMCEMSJJP-QUJHGWJTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)C(CC)CC)C1 ZINC001111794777 802169271 /nfs/dbraw/zinc/16/92/71/802169271.db2.gz JKXHWYLZWOOIOY-HFTRVMKXSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)C(C)C)C1 ZINC001111888301 802170346 /nfs/dbraw/zinc/17/03/46/802170346.db2.gz KLOLLMYTRJNFHS-YCPHGPKFSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)C(C)C)C1 ZINC001111888301 802170354 /nfs/dbraw/zinc/17/03/54/802170354.db2.gz KLOLLMYTRJNFHS-YCPHGPKFSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](CCCC)C2 ZINC001111850399 802170438 /nfs/dbraw/zinc/17/04/38/802170438.db2.gz KXJFAFIEESNKMP-RYRKJORJSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C/C(C)=C\CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=C)C)C2 ZINC001111837578 802171033 /nfs/dbraw/zinc/17/10/33/802171033.db2.gz UFSHOYXAMPXMTF-QOQSIOTLSA-N 1 1 288.435 3.056 20 30 CGEDMO C=CCCCCC[NH+]1CCN(C(=O)C(F)=C(C)C)CC1 ZINC001112765417 802187105 /nfs/dbraw/zinc/18/71/05/802187105.db2.gz XDNQTHJXPSFRKS-UHFFFAOYSA-N 1 1 282.403 3.140 20 30 CGEDMO C=C(C)CCC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001112904146 802195143 /nfs/dbraw/zinc/19/51/43/802195143.db2.gz HTLQUNNKULSRIF-MRXNPFEDSA-N 1 1 286.419 3.248 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCCC ZINC001113868584 802235088 /nfs/dbraw/zinc/23/50/88/802235088.db2.gz ZFSCFVPNOLEFPR-VQFNDLOPSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)C(CC)CC ZINC001114499649 802243062 /nfs/dbraw/zinc/24/30/62/802243062.db2.gz UTADFKCBALXQFL-QMCVQRASSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CCCCC(=O)NC1[C@H]2C[N@H+](CC/C=C/CCC)C[C@@H]12 ZINC001114754524 802244416 /nfs/dbraw/zinc/24/44/16/802244416.db2.gz CXNQZACUXIXISS-XPWYGWHRSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)CC(C)C ZINC001115099209 802253427 /nfs/dbraw/zinc/25/34/27/802253427.db2.gz WCXPVRYDRSRABT-ZSHCYNCHSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCCCCCC ZINC001115165459 802254525 /nfs/dbraw/zinc/25/45/25/802254525.db2.gz ICWKBTUIUOZXMS-VQFNDLOPSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CCCC)C(C)C ZINC001115315474 802255893 /nfs/dbraw/zinc/25/58/93/802255893.db2.gz DDXMQLMFKNYJIP-NCOADZHNSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(Br)C[N@@H+](C)[C@@H](C)Cc1ccc(OC)cc1 ZINC001115929077 802288094 /nfs/dbraw/zinc/28/80/94/802288094.db2.gz KUYFQPPUUQXYIV-LBPRGKRZSA-N 1 1 298.224 3.467 20 30 CGEDMO C=C(Br)C[N@H+](C)[C@@H](C)Cc1ccc(OC)cc1 ZINC001115929077 802288098 /nfs/dbraw/zinc/28/80/98/802288098.db2.gz KUYFQPPUUQXYIV-LBPRGKRZSA-N 1 1 298.224 3.467 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC001116598598 802383911 /nfs/dbraw/zinc/38/39/11/802383911.db2.gz NHBNZPLQXBBOSB-AWEZNQCLSA-N 1 1 267.319 3.401 20 30 CGEDMO C=CC[C@H]([NH2+][C@@H]1CCC[C@H](CC)C1)C(=O)OCC ZINC001116790425 802410899 /nfs/dbraw/zinc/41/08/99/802410899.db2.gz VCWCBPPXGYZHBY-MJBXVCDLSA-N 1 1 253.386 3.053 20 30 CGEDMO CC(C)COCC[C@@H](C)[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001172474154 808340384 /nfs/dbraw/zinc/34/03/84/808340384.db2.gz OVZLSFSECBSTRN-OAHLLOKOSA-N 1 1 286.419 3.368 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)/C=C(/C)C2CC2)C1 ZINC001270942525 808755385 /nfs/dbraw/zinc/75/53/85/808755385.db2.gz ZIWJVXWRQXHJTK-NZHZHZHDSA-N 1 1 290.451 3.137 20 30 CGEDMO CC[N@@H+](CC1CCC(O)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC001117738383 802483434 /nfs/dbraw/zinc/48/34/34/802483434.db2.gz HFOPRQLKHVNCDA-MXWWQKGMSA-N 1 1 286.419 3.492 20 30 CGEDMO Cc1ccc(C[N@H+](C)C[C@](C)(O)c2ccccc2)cc1C#N ZINC001118825368 802608204 /nfs/dbraw/zinc/60/82/04/802608204.db2.gz PKSUFSYWGVJPQQ-IBGZPJMESA-N 1 1 294.398 3.206 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](O)c2ccccc2)s1 ZINC001119260117 802640181 /nfs/dbraw/zinc/64/01/81/802640181.db2.gz YEBGDDWHRWWCFH-SJORKVTESA-N 1 1 298.411 3.318 20 30 CGEDMO N#CC1(C[NH+]2CCC(c3ccc(F)cc3)CC2)CC1 ZINC001119314078 802647401 /nfs/dbraw/zinc/64/74/01/802647401.db2.gz ZXCNPRSPJGQDOE-UHFFFAOYSA-N 1 1 258.340 3.309 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC001119729755 802695118 /nfs/dbraw/zinc/69/51/18/802695118.db2.gz WFPHEKIWDCQXTB-QGZVFWFLSA-N 1 1 267.376 3.301 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC001119729755 802695124 /nfs/dbraw/zinc/69/51/24/802695124.db2.gz WFPHEKIWDCQXTB-QGZVFWFLSA-N 1 1 267.376 3.301 20 30 CGEDMO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)CCCCC1(C#N)CCC1 ZINC001119822328 802702081 /nfs/dbraw/zinc/70/20/81/802702081.db2.gz GZFBDTBHKZSCHB-AWEZNQCLSA-N 1 1 293.455 3.086 20 30 CGEDMO C#CC[N@@H+](Cc1c(C)nn(C(C)(C)C)c1C)C(C)C ZINC001119982427 802719565 /nfs/dbraw/zinc/71/95/65/802719565.db2.gz GDKWESWHZGFMHE-UHFFFAOYSA-N 1 1 261.413 3.099 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+]2CC2CC2)C1 ZINC001120348402 802740946 /nfs/dbraw/zinc/74/09/46/802740946.db2.gz VARYOZLRZZQMBV-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CCF)C1 ZINC001120423440 802744592 /nfs/dbraw/zinc/74/45/92/802744592.db2.gz UOAFJZZQIZRENE-CVEARBPZSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CCC)C1 ZINC001120423268 802744855 /nfs/dbraw/zinc/74/48/55/802744855.db2.gz STPADMDGEKRQRF-DLBZAZTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)CCCC(C)(C)C)CC[C@@H]1C ZINC001131900346 803355661 /nfs/dbraw/zinc/35/56/61/803355661.db2.gz XCYCLHZJTOIRKQ-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)/C(C)=C\CC)CC[C@@H]1C ZINC001131918820 803357454 /nfs/dbraw/zinc/35/74/54/803357454.db2.gz UBAGSPVBZJIIGU-USCQQBMNSA-N 1 1 278.440 3.278 20 30 CGEDMO C#CCCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](CCCC=C)C1 ZINC001131976903 803363621 /nfs/dbraw/zinc/36/36/21/803363621.db2.gz QHUKKIYVAKQSPO-IRXDYDNUSA-N 1 1 290.451 3.115 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)C2(CC(C)C)CC2)CC[C@@H]1C ZINC001132086958 803372652 /nfs/dbraw/zinc/37/26/52/803372652.db2.gz KYHHJNAXUJHETG-JKSUJKDBSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)C2(F)CCCC2)CC[C@H]1C ZINC001132143932 803375399 /nfs/dbraw/zinc/37/53/99/803375399.db2.gz BMMFVBMCSQAGKH-HUUCEWRRSA-N 1 1 296.430 3.204 20 30 CGEDMO CC#CC[N@H+]1C[C@H](NC(=O)C(C)(C)C(C)(C)C)CC[C@@H]1C ZINC001132224073 803382041 /nfs/dbraw/zinc/38/20/41/803382041.db2.gz KGKRSSCBNUQIQE-LSDHHAIUSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CCC[N@H+]1C[C@H](NC(=O)C2(CCC)CC2)CC[C@@H]1C ZINC001132274065 803390208 /nfs/dbraw/zinc/39/02/08/803390208.db2.gz NZFKJFWLZPVJIP-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)C2(CC)CC2)CC[C@@H]1C ZINC001132283081 803392106 /nfs/dbraw/zinc/39/21/06/803392106.db2.gz RFQMFUGVDIVHBY-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CCC)C2)CCC1 ZINC001132282050 803392228 /nfs/dbraw/zinc/39/22/28/803392228.db2.gz HPBZGEFHEDLGFD-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CC2CCC2)C1 ZINC001132332560 803395843 /nfs/dbraw/zinc/39/58/43/803395843.db2.gz VMXUNPFBCFRJOB-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO CC#CC[N@H+]1C[C@@H](NC(=O)CCCCC(C)C)CC[C@@H]1C ZINC001132369076 803398475 /nfs/dbraw/zinc/39/84/75/803398475.db2.gz UEUKXXOIUIBWQZ-IRXDYDNUSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)C2(CC)CCCC2)CC[C@@H]1C ZINC001132397827 803400467 /nfs/dbraw/zinc/40/04/67/803400467.db2.gz WWTMOYMHCKCXMH-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)C2(CC=C)CCCC2)CC[C@H]1C ZINC001132545938 803413348 /nfs/dbraw/zinc/41/33/48/803413348.db2.gz HBPWBNDZJYSTLQ-HZPDHXFCSA-N 1 1 290.451 3.278 20 30 CGEDMO CCc1cc(-c2ccc3[nH+]c(N)[nH]c3c2)ccc1C#N ZINC001244951620 803589379 /nfs/dbraw/zinc/58/93/79/803589379.db2.gz CCUCKNIQTHEMJB-UHFFFAOYSA-N 1 1 262.316 3.246 20 30 CGEDMO CCc1cc(-c2cncc(-n3cc[nH+]c3C)n2)ccc1C#N ZINC001244951865 803589463 /nfs/dbraw/zinc/58/94/63/803589463.db2.gz IESAWXIAIOXBHW-UHFFFAOYSA-N 1 1 289.342 3.072 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)o2)C1 ZINC001137067863 803679460 /nfs/dbraw/zinc/67/94/60/803679460.db2.gz LMWRWKAYGHYYRW-CQSZACIVSA-N 1 1 273.380 3.005 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1cccc2cccnc21 ZINC001137176910 803693715 /nfs/dbraw/zinc/69/37/15/803693715.db2.gz WANJFVQGBUSRSZ-UHFFFAOYSA-N 1 1 253.349 3.360 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1cccc2cccnc21 ZINC001137176910 803693719 /nfs/dbraw/zinc/69/37/19/803693719.db2.gz WANJFVQGBUSRSZ-UHFFFAOYSA-N 1 1 253.349 3.360 20 30 CGEDMO O=C1C=C2C[N@@H+](Cc3cnc4ccccc4c3)CC[C@H]2S1 ZINC001137278308 803708351 /nfs/dbraw/zinc/70/83/51/803708351.db2.gz UPGQVIUNCHHGME-MRXNPFEDSA-N 1 1 296.395 3.009 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3cnc4ccccc4c3)CC[C@H]2S1 ZINC001137278308 803708354 /nfs/dbraw/zinc/70/83/54/803708354.db2.gz UPGQVIUNCHHGME-MRXNPFEDSA-N 1 1 296.395 3.009 20 30 CGEDMO CC(C)(C)c1ccc(C[NH+]2CCC(C)(C#N)CC2)[nH]1 ZINC001137378489 803726259 /nfs/dbraw/zinc/72/62/59/803726259.db2.gz XJPQNWXPPXOYID-UHFFFAOYSA-N 1 1 259.397 3.438 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC3(CC3)C2)c(Br)c1 ZINC001137634761 803747866 /nfs/dbraw/zinc/74/78/66/803747866.db2.gz YZZPQPSLRJQJMA-UHFFFAOYSA-N 1 1 291.192 3.307 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC3(CC3)C2)c(Br)c1 ZINC001137634761 803747869 /nfs/dbraw/zinc/74/78/69/803747869.db2.gz YZZPQPSLRJQJMA-UHFFFAOYSA-N 1 1 291.192 3.307 20 30 CGEDMO CC(C)[N@H+](C)Cc1ccc(C#N)cc1Br ZINC001137632491 803748547 /nfs/dbraw/zinc/74/85/47/803748547.db2.gz DEUCKCOGHDDZOM-UHFFFAOYSA-N 1 1 267.170 3.161 20 30 CGEDMO CC(C)[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC001137632491 803748551 /nfs/dbraw/zinc/74/85/51/803748551.db2.gz DEUCKCOGHDDZOM-UHFFFAOYSA-N 1 1 267.170 3.161 20 30 CGEDMO COc1ccc(C[N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)c(C#N)c1 ZINC001137699785 803760878 /nfs/dbraw/zinc/76/08/78/803760878.db2.gz UTAXLNOZNYMZOL-OKILXGFUSA-N 1 1 292.329 3.044 20 30 CGEDMO COc1ccc(C[N@@H+]2CCC[C@H](C(F)F)C2)c(C#N)c1 ZINC001137703214 803761366 /nfs/dbraw/zinc/76/13/66/803761366.db2.gz GJZUNKVALXEEKE-LBPRGKRZSA-N 1 1 280.318 3.044 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@H](C(F)F)C2)c(C#N)c1 ZINC001137703214 803761369 /nfs/dbraw/zinc/76/13/69/803761369.db2.gz GJZUNKVALXEEKE-LBPRGKRZSA-N 1 1 280.318 3.044 20 30 CGEDMO Cc1cc(C[N@@H+]2CC[C@@H](C#N)C2)c(C)n1-c1ccccc1 ZINC001137859436 803787993 /nfs/dbraw/zinc/78/79/93/803787993.db2.gz YHJAXIOSWFNCBS-INIZCTEOSA-N 1 1 279.387 3.440 20 30 CGEDMO Cc1cc(C[N@H+]2CC[C@@H](C#N)C2)c(C)n1-c1ccccc1 ZINC001137859436 803787996 /nfs/dbraw/zinc/78/79/96/803787996.db2.gz YHJAXIOSWFNCBS-INIZCTEOSA-N 1 1 279.387 3.440 20 30 CGEDMO C=CC[NH+]1CCN(Cc2c(F)ccc(C)c2Cl)CC1 ZINC001138028005 803830737 /nfs/dbraw/zinc/83/07/37/803830737.db2.gz SEMGPHHTFAHLPL-UHFFFAOYSA-N 1 1 282.790 3.091 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCCCC23CC3)cc1OC ZINC001138348378 803899375 /nfs/dbraw/zinc/89/93/75/803899375.db2.gz IVGXNVTWYVLARS-UHFFFAOYSA-N 1 1 285.387 3.226 20 30 CGEDMO Cc1nccn1-c1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC001138547140 803964192 /nfs/dbraw/zinc/96/41/92/803964192.db2.gz FXCGFPKDZQOCHK-MRXNPFEDSA-N 1 1 294.402 3.306 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC001138555275 803966834 /nfs/dbraw/zinc/96/68/34/803966834.db2.gz ULGODBZNZQOTNU-GASCZTMLSA-N 1 1 257.377 3.462 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)cc1 ZINC001138558824 803968613 /nfs/dbraw/zinc/96/86/13/803968613.db2.gz JQHQPHDODZGBPV-CABCVRRESA-N 1 1 257.377 3.319 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1ccccc1N1CCCC1 ZINC001138611371 803978073 /nfs/dbraw/zinc/97/80/73/803978073.db2.gz LXICPKJKBPQCLD-UHFFFAOYSA-N 1 1 271.408 3.412 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1ccccc1N1CCCC1 ZINC001138611371 803978079 /nfs/dbraw/zinc/97/80/79/803978079.db2.gz LXICPKJKBPQCLD-UHFFFAOYSA-N 1 1 271.408 3.412 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cccc(Oc3ncccn3)c2)C1 ZINC001138619573 803982622 /nfs/dbraw/zinc/98/26/22/803982622.db2.gz BWRJPSKOCQYVHN-OAHLLOKOSA-N 1 1 293.370 3.114 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CCc3ncsc3C2)c1O ZINC001138627565 803982709 /nfs/dbraw/zinc/98/27/09/803982709.db2.gz AMUIRMUSOZLGQQ-UHFFFAOYSA-N 1 1 286.400 3.136 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1C[C@@H](C)[C@@H](F)C1 ZINC001138662518 803997382 /nfs/dbraw/zinc/99/73/82/803997382.db2.gz ZXGXHTZOKAJGBW-HIFRSBDPSA-N 1 1 263.356 3.431 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1C[C@@H](C)[C@@H](F)C1 ZINC001138662518 803997388 /nfs/dbraw/zinc/99/73/88/803997388.db2.gz ZXGXHTZOKAJGBW-HIFRSBDPSA-N 1 1 263.356 3.431 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1ccc(OC(=O)CC)cc1 ZINC001138966505 804091901 /nfs/dbraw/zinc/09/19/01/804091901.db2.gz NJMTUHPISHDJHF-UHFFFAOYSA-N 1 1 274.364 3.128 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1ccc(OC(=O)CC)cc1 ZINC001138966505 804091914 /nfs/dbraw/zinc/09/19/14/804091914.db2.gz NJMTUHPISHDJHF-UHFFFAOYSA-N 1 1 274.364 3.128 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCc2ncccc2C1 ZINC001139029921 804114343 /nfs/dbraw/zinc/11/43/43/804114343.db2.gz VYBQTLWEVXCXNA-UHFFFAOYSA-N 1 1 280.371 3.205 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCc2ncccc2C1 ZINC001139029921 804114345 /nfs/dbraw/zinc/11/43/45/804114345.db2.gz VYBQTLWEVXCXNA-UHFFFAOYSA-N 1 1 280.371 3.205 20 30 CGEDMO CCCCCCCCC[C@H](C)[NH2+][C@@H]1CNC[C@H]1F ZINC001246131114 804158104 /nfs/dbraw/zinc/15/81/04/804158104.db2.gz VMWNDOHGSHHZBN-RRFJBIMHSA-N 1 1 258.425 3.415 20 30 CGEDMO CCCCCCC[C@@H](CC)NC[C@@]1(F)CC[NH2+]C1 ZINC001246145976 804166777 /nfs/dbraw/zinc/16/67/77/804166777.db2.gz MYBGGLDDXNLSCR-HUUCEWRRSA-N 1 1 258.425 3.417 20 30 CGEDMO CCCCCCC[C@@H](CC)[NH2+]C[C@@]1(F)CCNC1 ZINC001246145976 804166780 /nfs/dbraw/zinc/16/67/80/804166780.db2.gz MYBGGLDDXNLSCR-HUUCEWRRSA-N 1 1 258.425 3.417 20 30 CGEDMO CCCCCCC[C@@H](CC(C)C)[NH2+][C@H]1CN[C@@H]2CCO[C@@H]21 ZINC001246152200 804171219 /nfs/dbraw/zinc/17/12/19/804171219.db2.gz LHSLUTMJRWNRAI-MHORFTMASA-N 1 1 296.499 3.481 20 30 CGEDMO C[N@@H+](Cc1ccc(-c2cc(C#N)ccn2)cc1)C1CC1 ZINC001139400225 804187118 /nfs/dbraw/zinc/18/71/18/804187118.db2.gz KOHNQCQRXHMMNB-UHFFFAOYSA-N 1 1 263.344 3.214 20 30 CGEDMO N#CCC1C[NH+](Cc2ccc(-c3ccccc3)nc2)C1 ZINC001139515963 804197073 /nfs/dbraw/zinc/19/70/73/804197073.db2.gz NQPMGRUXXMZMFN-UHFFFAOYSA-N 1 1 263.344 3.094 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)cc1F ZINC001139527046 804200713 /nfs/dbraw/zinc/20/07/13/804200713.db2.gz UMZDZBXVBFGLGU-BETUJISGSA-N 1 1 280.293 3.174 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)cc1F ZINC001139527046 804200721 /nfs/dbraw/zinc/20/07/21/804200721.db2.gz UMZDZBXVBFGLGU-BETUJISGSA-N 1 1 280.293 3.174 20 30 CGEDMO CCCCCCCCC[C@H](C)[NH2+][C@@H]1CCNC[C@H]1OC ZINC001246219464 804213828 /nfs/dbraw/zinc/21/38/28/804213828.db2.gz ZETXVLALQYYIGO-GVDBMIGSSA-N 1 1 284.488 3.482 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(C)ccc2OCC)C1 ZINC001139604852 804222924 /nfs/dbraw/zinc/22/29/24/804222924.db2.gz OKKSKQFHFHZWGD-HNNXBMFYSA-N 1 1 257.377 3.239 20 30 CGEDMO C#Cc1ccc(CNC2C[C@H](CC)[NH2+][C@@H](CC)C2)cc1 ZINC001246266801 804246735 /nfs/dbraw/zinc/24/67/35/804246735.db2.gz PUDHROCZGZKOTN-IRXDYDNUSA-N 1 1 270.420 3.067 20 30 CGEDMO CCCCCCCC[C@H](CCC)[NH2+][C@]1(CO)CCNC1 ZINC001246289042 804259712 /nfs/dbraw/zinc/25/97/12/804259712.db2.gz OCBMZJMIWBSQMK-DLBZAZTESA-N 1 1 284.488 3.220 20 30 CGEDMO COCC[C@@H]1CCCC[N@H+]1Cc1c[nH]c2c1cccc2C#N ZINC001139703300 804261245 /nfs/dbraw/zinc/26/12/45/804261245.db2.gz NBFSFWGLTJIICJ-INIZCTEOSA-N 1 1 297.402 3.431 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@@H](C(F)F)C2)cc1C#N ZINC001139726262 804266960 /nfs/dbraw/zinc/26/69/60/804266960.db2.gz CXBYTGWGZWSMLX-CYBMUJFWSA-N 1 1 264.319 3.344 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@@H]2Cc2ccccn2)cc1C#N ZINC001139726645 804267019 /nfs/dbraw/zinc/26/70/19/804267019.db2.gz XQJAVXKRXXHJTK-LJQANCHMSA-N 1 1 291.398 3.469 20 30 CGEDMO Cc1ccc(C[N@H+](C)Cc2cnc3ccccn23)cc1C#N ZINC001139722535 804267373 /nfs/dbraw/zinc/26/73/73/804267373.db2.gz AAEDAZAWLYOSCG-UHFFFAOYSA-N 1 1 290.370 3.146 20 30 CGEDMO Cc1ccc(C[N@@H+](C)Cc2cnc3ccccn23)cc1C#N ZINC001139722535 804267381 /nfs/dbraw/zinc/26/73/81/804267381.db2.gz AAEDAZAWLYOSCG-UHFFFAOYSA-N 1 1 290.370 3.146 20 30 CGEDMO C=CCn1cc(C[N@H+]2Cc3ccccc3C(C)(C)C2)cn1 ZINC001139771160 804277125 /nfs/dbraw/zinc/27/71/25/804277125.db2.gz QDCFMLXXDMFHDR-UHFFFAOYSA-N 1 1 281.403 3.363 20 30 CGEDMO C=CCn1cc(C[N@@H+]2CCC[C@H]2c2ccc(OC)cc2)cn1 ZINC001139770098 804277262 /nfs/dbraw/zinc/27/72/62/804277262.db2.gz CKHMHBUCZJVZRH-SFHVURJKSA-N 1 1 297.402 3.415 20 30 CGEDMO C=CCn1cc(C[N@H+](C)Cc2ccc(C)c(C)c2)cn1 ZINC001139771198 804278314 /nfs/dbraw/zinc/27/83/14/804278314.db2.gz RYMMCIFIYBYNKM-UHFFFAOYSA-N 1 1 269.392 3.318 20 30 CGEDMO C=CCn1cc(C[N@H+]2CCC[C@H]2c2ccc(C)nc2)cn1 ZINC001139771422 804278665 /nfs/dbraw/zinc/27/86/65/804278665.db2.gz ZNYVVVQDHAIYHE-KRWDZBQOSA-N 1 1 282.391 3.110 20 30 CGEDMO C=CCn1cc(C[N@@H+]2CCC[C@H]2c2ccc(C)nc2)cn1 ZINC001139771422 804278666 /nfs/dbraw/zinc/27/86/66/804278666.db2.gz ZNYVVVQDHAIYHE-KRWDZBQOSA-N 1 1 282.391 3.110 20 30 CGEDMO C=CCn1cc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)cn1 ZINC001139772660 804280366 /nfs/dbraw/zinc/28/03/66/804280366.db2.gz OENMABOKPCAHLE-MRXNPFEDSA-N 1 1 285.366 3.198 20 30 CGEDMO C=CC[N@H+](Cc1cnc(OC)s1)C1CCCCC1 ZINC001139817995 804289132 /nfs/dbraw/zinc/28/91/32/804289132.db2.gz OZZLILMGJBLISC-UHFFFAOYSA-N 1 1 266.410 3.472 20 30 CGEDMO CCCCCCCCC[C@H](C)[NH2+][C@H]1CCNC[C@H]1OC ZINC001246352734 804299642 /nfs/dbraw/zinc/29/96/42/804299642.db2.gz ZETXVLALQYYIGO-YESZJQIVSA-N 1 1 284.488 3.482 20 30 CGEDMO CCCCCCC[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001139852914 804301354 /nfs/dbraw/zinc/30/13/54/804301354.db2.gz ZWNBSWBLRMPYCG-UHFFFAOYSA-N 1 1 287.411 3.269 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)C1(C)CCC(C)CC1 ZINC001139870010 804302141 /nfs/dbraw/zinc/30/21/41/804302141.db2.gz WEQQSTOSZKPDSV-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO N#Cc1cc(F)cc(C[N@H+]2CC[C@H](c3cccnc3)C2)c1 ZINC001139875415 804305179 /nfs/dbraw/zinc/30/51/79/804305179.db2.gz MDTSLDDRYWGNSF-INIZCTEOSA-N 1 1 281.334 3.082 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)c1ccccc1C(F)F ZINC001139874080 804307009 /nfs/dbraw/zinc/30/70/09/804307009.db2.gz MZSXSVJHXHZFDE-UHFFFAOYSA-N 1 1 296.361 3.204 20 30 CGEDMO COc1c(Cl)cccc1C[NH+]1CCC(C)(C#N)CC1 ZINC001140061999 804365142 /nfs/dbraw/zinc/36/51/42/804365142.db2.gz GGACSSXYWOFMLB-UHFFFAOYSA-N 1 1 278.783 3.474 20 30 CGEDMO N#Cc1ccc2[nH]cc(C[N@@H+]3CCC[C@@H](CF)C3)c2c1 ZINC001140115046 804381084 /nfs/dbraw/zinc/38/10/84/804381084.db2.gz KRRWYUNKOFXHME-ZDUSSCGKSA-N 1 1 271.339 3.221 20 30 CGEDMO CCCCCCCC[C@H](CCC)[N@@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246567953 804415314 /nfs/dbraw/zinc/41/53/14/804415314.db2.gz NGWZSTKBQUIPTP-GVDBMIGSSA-N 1 1 284.488 3.300 20 30 CGEDMO CCCCCCCC[C@H](CCC)[N@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246567953 804415318 /nfs/dbraw/zinc/41/53/18/804415318.db2.gz NGWZSTKBQUIPTP-GVDBMIGSSA-N 1 1 284.488 3.300 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1ccc(-c2cncnc2)cc1 ZINC001140355514 804423580 /nfs/dbraw/zinc/42/35/80/804423580.db2.gz FWTGXNYKPTWELS-UHFFFAOYSA-N 1 1 280.375 3.269 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1ccc(-c2cncnc2)cc1 ZINC001140355514 804423583 /nfs/dbraw/zinc/42/35/83/804423583.db2.gz FWTGXNYKPTWELS-UHFFFAOYSA-N 1 1 280.375 3.269 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CC[C@@H]2NCCO[C@H]2C1 ZINC001246629296 804460362 /nfs/dbraw/zinc/46/03/62/804460362.db2.gz HZIAIHXVWFTDNX-IKGGRYGDSA-N 1 1 282.472 3.188 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2Cl)[C@@H](C)C1 ZINC001140603709 804473516 /nfs/dbraw/zinc/47/35/16/804473516.db2.gz ZSMFGUBMBSTTBI-FZMZJTMJSA-N 1 1 278.783 3.211 20 30 CGEDMO N#Cc1c(F)cc(C[N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)cc1F ZINC001140752242 804504649 /nfs/dbraw/zinc/50/46/49/804504649.db2.gz IDHYYXSJYYANPL-PWSUYJOCSA-N 1 1 298.283 3.314 20 30 CGEDMO N#Cc1c(F)cc(C[N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)cc1F ZINC001140752242 804504652 /nfs/dbraw/zinc/50/46/52/804504652.db2.gz IDHYYXSJYYANPL-PWSUYJOCSA-N 1 1 298.283 3.314 20 30 CGEDMO N#Cc1c(F)cc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)cc1F ZINC001140751299 804505244 /nfs/dbraw/zinc/50/52/44/804505244.db2.gz QQYGMVGEFBJJOX-TXEJJXNPSA-N 1 1 262.303 3.068 20 30 CGEDMO CC1(C)CC[N@@H+](Cc2cc(F)c(C#N)c(F)c2)C1 ZINC001140753271 804506826 /nfs/dbraw/zinc/50/68/26/804506826.db2.gz DLDUXPRVKVUKRZ-UHFFFAOYSA-N 1 1 250.292 3.068 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCCN(C2CCCC2)C1 ZINC001256920136 807010996 /nfs/dbraw/zinc/01/09/96/807010996.db2.gz ICQZODVVLVRADP-OWLYRPNTSA-N 1 1 287.451 3.160 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256920136 807011002 /nfs/dbraw/zinc/01/10/02/807011002.db2.gz ICQZODVVLVRADP-OWLYRPNTSA-N 1 1 287.451 3.160 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256920136 807011010 /nfs/dbraw/zinc/01/10/10/807011010.db2.gz ICQZODVVLVRADP-OWLYRPNTSA-N 1 1 287.451 3.160 20 30 CGEDMO CCC[N@@H+](CCOC)Cc1cccc(C#N)c1Cl ZINC001140806865 804524467 /nfs/dbraw/zinc/52/44/67/804524467.db2.gz VEVXYHNTZOXEMP-UHFFFAOYSA-N 1 1 266.772 3.070 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)c1Cl ZINC001140808623 804525535 /nfs/dbraw/zinc/52/55/35/804525535.db2.gz XIUFIFGGIBZRAY-DOMZBBRYSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)c1Cl ZINC001140808623 804525539 /nfs/dbraw/zinc/52/55/39/804525539.db2.gz XIUFIFGGIBZRAY-DOMZBBRYSA-N 1 1 290.794 3.213 20 30 CGEDMO C[N@@H+](CCCC(=O)c1cccnc1)C1CCC(C#N)CC1 ZINC001256969238 807020732 /nfs/dbraw/zinc/02/07/32/807020732.db2.gz BUPDGLFJBWITTD-UHFFFAOYSA-N 1 1 285.391 3.059 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2sc(N)c(C#N)c2Cl)[C@H](C)C1 ZINC001141114290 804592137 /nfs/dbraw/zinc/59/21/37/804592137.db2.gz KRLCAICYIVSMOC-RKDXNWHRSA-N 1 1 283.828 3.476 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccc2c(c1)OCCN2C ZINC001141145652 804598289 /nfs/dbraw/zinc/59/82/89/804598289.db2.gz XMGNMZFTBNLJTA-UHFFFAOYSA-N 1 1 274.408 3.303 20 30 CGEDMO Cc1ccnn1C1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC001141167144 804603628 /nfs/dbraw/zinc/60/36/28/804603628.db2.gz CAQFRZKLAIZSDN-UHFFFAOYSA-N 1 1 298.365 3.039 20 30 CGEDMO C[N@@H+](Cc1ccc(F)cc1C#N)C[C@H]1Cc2ccccc2O1 ZINC001141168801 804603811 /nfs/dbraw/zinc/60/38/11/804603811.db2.gz WZGKXEHQHAUNMI-QGZVFWFLSA-N 1 1 296.345 3.133 20 30 CGEDMO C[N@H+](Cc1ccc(F)cc1C#N)C[C@H]1Cc2ccccc2O1 ZINC001141168801 804603815 /nfs/dbraw/zinc/60/38/15/804603815.db2.gz WZGKXEHQHAUNMI-QGZVFWFLSA-N 1 1 296.345 3.133 20 30 CGEDMO CC[C@H](N)C[N@@H+](C)C1CCC(C#N)(c2ccccc2)CC1 ZINC001246975531 804624769 /nfs/dbraw/zinc/62/47/69/804624769.db2.gz VTJUXKJAERJBIE-AOCRQIFASA-N 1 1 285.435 3.060 20 30 CGEDMO CC[C@H]([NH3+])CN(C)C1CCC(C#N)(c2ccccc2)CC1 ZINC001246975531 804624771 /nfs/dbraw/zinc/62/47/71/804624771.db2.gz VTJUXKJAERJBIE-AOCRQIFASA-N 1 1 285.435 3.060 20 30 CGEDMO COc1ccsc1C[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001141320987 804630028 /nfs/dbraw/zinc/63/00/28/804630028.db2.gz QAFPNGSVLPUMII-UHFFFAOYSA-N 1 1 284.384 3.187 20 30 CGEDMO COc1ccsc1C[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001141320987 804630031 /nfs/dbraw/zinc/63/00/31/804630031.db2.gz QAFPNGSVLPUMII-UHFFFAOYSA-N 1 1 284.384 3.187 20 30 CGEDMO C=CC[NH2+]Cc1nc2ccc(OCc3ccccc3)cc2[nH]1 ZINC001247006374 804636868 /nfs/dbraw/zinc/63/68/68/804636868.db2.gz BVVZPANBCWEMJI-UHFFFAOYSA-N 1 1 293.370 3.418 20 30 CGEDMO CCC[N@@H+](C)Cc1cc(Br)ccc1C#N ZINC001141894370 804677973 /nfs/dbraw/zinc/67/79/73/804677973.db2.gz HYMGGLDZHDAPON-UHFFFAOYSA-N 1 1 267.170 3.163 20 30 CGEDMO C=CC[N@@H+](Cc1cc(F)c(F)cc1[O-])C(C)(C)C ZINC001142530308 804733607 /nfs/dbraw/zinc/73/36/07/804733607.db2.gz CLWAKSAIWNVVBY-UHFFFAOYSA-N 1 1 255.308 3.457 20 30 CGEDMO C=CC[N@H+](Cc1cc(F)c(F)cc1O)C(C)(C)C ZINC001142530308 804733611 /nfs/dbraw/zinc/73/36/11/804733611.db2.gz CLWAKSAIWNVVBY-UHFFFAOYSA-N 1 1 255.308 3.457 20 30 CGEDMO C=CC[N@@H+](Cc1cc(F)c(F)cc1O)C(C)(C)C ZINC001142530308 804733615 /nfs/dbraw/zinc/73/36/15/804733615.db2.gz CLWAKSAIWNVVBY-UHFFFAOYSA-N 1 1 255.308 3.457 20 30 CGEDMO CC(C)([NH3+])c1nc(-c2cc(Cl)c(C#N)cc2Cl)no1 ZINC001247491330 804750173 /nfs/dbraw/zinc/75/01/73/804750173.db2.gz KYWJQQAWCGJRTM-UHFFFAOYSA-N 1 1 297.145 3.109 20 30 CGEDMO C[C@@H](Cc1ccccc1Br)[N@H+](C)CCC#N ZINC001256837440 806990476 /nfs/dbraw/zinc/99/04/76/806990476.db2.gz DHMDATDNZKZEQC-NSHDSACASA-N 1 1 281.197 3.226 20 30 CGEDMO C[C@@H](Cc1ccccc1Br)[N@@H+](C)CCC#N ZINC001256837440 806990479 /nfs/dbraw/zinc/99/04/79/806990479.db2.gz DHMDATDNZKZEQC-NSHDSACASA-N 1 1 281.197 3.226 20 30 CGEDMO C#CC[C@@H]([NH3+])c1nc(-c2ccc(C)c3ccccc23)no1 ZINC001247610392 804779537 /nfs/dbraw/zinc/77/95/37/804779537.db2.gz ZKYIALVLGNRFNH-OAHLLOKOSA-N 1 1 277.327 3.221 20 30 CGEDMO C#CC[C@@H]([NH3+])c1nc(-c2ccc(-c3ccccc3)cc2)no1 ZINC001247613988 804780173 /nfs/dbraw/zinc/78/01/73/804780173.db2.gz PRRZNEBZJYQUAZ-MRXNPFEDSA-N 1 1 289.338 3.427 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cc(C)c(F)c(C)c2)no1 ZINC001247622572 804783311 /nfs/dbraw/zinc/78/33/11/804783311.db2.gz NUYJVNVERSVNDB-GFCCVEGCSA-N 1 1 275.327 3.459 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2cccc(OC3CC3)c2)no1 ZINC001247622174 804783705 /nfs/dbraw/zinc/78/37/05/804783705.db2.gz HTGCWYCQHRTQFK-AWEZNQCLSA-N 1 1 285.347 3.244 20 30 CGEDMO N#Cc1ccc2c(C[N@@H+]3CCCC[C@@H](F)C3)c[nH]c2c1 ZINC001142912130 804783907 /nfs/dbraw/zinc/78/39/07/804783907.db2.gz VSOPCMYJQBWVAA-CQSZACIVSA-N 1 1 271.339 3.364 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2ccc(C)cc2C)no1 ZINC001247622952 804784132 /nfs/dbraw/zinc/78/41/32/804784132.db2.gz SUQGDQJIMJWOAF-CYBMUJFWSA-N 1 1 257.337 3.319 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2ccc(F)c(CC)c2)no1 ZINC001247623098 804784268 /nfs/dbraw/zinc/78/42/68/804784268.db2.gz XMGXPMXPFYSZCW-CYBMUJFWSA-N 1 1 275.327 3.404 20 30 CGEDMO C[N@H+](Cc1c[nH]c2cc(C#N)ccc12)C[C@H]1CCCCO1 ZINC001142921544 804784632 /nfs/dbraw/zinc/78/46/32/804784632.db2.gz PWCOFORMEGNKNK-OAHLLOKOSA-N 1 1 283.375 3.040 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2ccc(F)c(F)c2F)no1 ZINC001247623102 804784614 /nfs/dbraw/zinc/78/46/14/804784614.db2.gz XOFBDZGBXMEHHE-SECBINFHSA-N 1 1 283.253 3.120 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)C1 ZINC001142921203 804784906 /nfs/dbraw/zinc/78/49/06/804784906.db2.gz JOONWFIMFQSVKO-ZDUSSCGKSA-N 1 1 278.359 3.165 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2cccc3cc(OC)ccc32)no1 ZINC001247963229 804857147 /nfs/dbraw/zinc/85/71/47/804857147.db2.gz LHJMGWYAVIQURR-HNNXBMFYSA-N 1 1 295.342 3.474 20 30 CGEDMO C#CC[NH+](CC#C)Cc1cc(C)ccc1C(F)(F)F ZINC001143683930 804886497 /nfs/dbraw/zinc/88/64/97/804886497.db2.gz TWTQZPOMZCMAFE-UHFFFAOYSA-N 1 1 265.278 3.082 20 30 CGEDMO CC(=O)[C@H]1CC[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257022701 807029249 /nfs/dbraw/zinc/02/92/49/807029249.db2.gz QCAHVHULHDBTDF-XBMUEBEBSA-N 1 1 296.414 3.495 20 30 CGEDMO C[C@@H]1C[C@@H](O)CC[N@H+]1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257019223 807029621 /nfs/dbraw/zinc/02/96/21/807029621.db2.gz KRRAZQWTNGARBW-UJPJLTBQSA-N 1 1 298.430 3.430 20 30 CGEDMO C=CC[N@@H+](C)Cc1c(C)cccc1Br ZINC001248619020 804961421 /nfs/dbraw/zinc/96/14/21/804961421.db2.gz SEFHCCYYDBFCFX-UHFFFAOYSA-N 1 1 254.171 3.375 20 30 CGEDMO C=CC[N@H+](C)Cc1c(C)cccc1Br ZINC001248619020 804961423 /nfs/dbraw/zinc/96/14/23/804961423.db2.gz SEFHCCYYDBFCFX-UHFFFAOYSA-N 1 1 254.171 3.375 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@@H+](C)Cc1ccncc1 ZINC001248748775 804982115 /nfs/dbraw/zinc/98/21/15/804982115.db2.gz WENJNGVSYALBCB-UHFFFAOYSA-N 1 1 265.360 3.148 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001248751690 804983947 /nfs/dbraw/zinc/98/39/47/804983947.db2.gz GOLIFFZATKLBAJ-AWEZNQCLSA-N 1 1 267.376 3.246 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(F)c3cc[nH]c32)C1 ZINC001248817938 805005101 /nfs/dbraw/zinc/00/51/01/805005101.db2.gz QTWIEMUBIOEHBP-LBPRGKRZSA-N 1 1 256.324 3.152 20 30 CGEDMO C=CCCCCCCCCC(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC001144799104 805056288 /nfs/dbraw/zinc/05/62/88/805056288.db2.gz XGMWGDMHAUBTSO-INIZCTEOSA-N 1 1 280.456 3.361 20 30 CGEDMO C=CCCC(=O)N1CC2(C1)CC[N@H+](CCCCCC)C2 ZINC001147186871 805114418 /nfs/dbraw/zinc/11/44/18/805114418.db2.gz DELNDZMRNMLHAK-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001249252721 805121056 /nfs/dbraw/zinc/12/10/56/805121056.db2.gz RXKZRJGYLNGQTG-CQSZACIVSA-N 1 1 297.398 3.422 20 30 CGEDMO N#Cc1ccc2cc(C[N@H+]3CCC4(C3)CCOCC4)[nH]c2c1 ZINC001249429079 805146588 /nfs/dbraw/zinc/14/65/88/805146588.db2.gz MVCFHGIZZQZALB-UHFFFAOYSA-N 1 1 295.386 3.042 20 30 CGEDMO C[N@@H+](Cc1cc2ccc(C#N)cc2[nH]1)C1CC(F)(F)C1 ZINC001249426388 805147047 /nfs/dbraw/zinc/14/70/47/805147047.db2.gz OBCZXQWLZPRQAC-UHFFFAOYSA-N 1 1 275.302 3.269 20 30 CGEDMO COC[C@@H]1CCCC[N@H+]1Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249426691 805147512 /nfs/dbraw/zinc/14/75/12/805147512.db2.gz CGZHKIXPVYKVDR-INIZCTEOSA-N 1 1 283.375 3.040 20 30 CGEDMO Cc1ncccc1C[N@H+](C)Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249430474 805147930 /nfs/dbraw/zinc/14/79/30/805147930.db2.gz TUENNEXPHDHUEX-UHFFFAOYSA-N 1 1 290.370 3.375 20 30 CGEDMO Cc1ncccc1C[N@@H+](C)Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249430474 805147932 /nfs/dbraw/zinc/14/79/32/805147932.db2.gz TUENNEXPHDHUEX-UHFFFAOYSA-N 1 1 290.370 3.375 20 30 CGEDMO C=CC[N@@H+](Cc1nc(C(=O)OC)cs1)C1CCCCC1 ZINC001249475531 805155125 /nfs/dbraw/zinc/15/51/25/805155125.db2.gz CTKUAJVVLSAMIS-UHFFFAOYSA-N 1 1 294.420 3.250 20 30 CGEDMO C=CC[N@H+](Cc1nc(C(=O)OC)cs1)C1CCCCC1 ZINC001249475531 805155132 /nfs/dbraw/zinc/15/51/32/805155132.db2.gz CTKUAJVVLSAMIS-UHFFFAOYSA-N 1 1 294.420 3.250 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc2occ(Br)c2c1 ZINC001249497575 805160461 /nfs/dbraw/zinc/16/04/61/805160461.db2.gz XXLVUKMIQMGYTB-UHFFFAOYSA-N 1 1 278.149 3.260 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cccc3cnc(SCC)n32)C1 ZINC001249500736 805160660 /nfs/dbraw/zinc/16/06/60/805160660.db2.gz POIWEJITVKRSGI-AWEZNQCLSA-N 1 1 299.443 3.292 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)C(C)(C)CC)C2)C1 ZINC001148167202 805166669 /nfs/dbraw/zinc/16/66/69/805166669.db2.gz BOCUTHDZNIWVHD-OAHLLOKOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@](C)(C=C)CC)C2)C1 ZINC001148216321 805168231 /nfs/dbraw/zinc/16/82/31/805168231.db2.gz NBBJBUUGOKYKIO-QGZVFWFLSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)C3(CCCC)CC3)C2)C1 ZINC001148226451 805169859 /nfs/dbraw/zinc/16/98/59/805169859.db2.gz FKZUKBPSKFKGNY-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@@H](CC)CCC)C2)C1 ZINC001148506592 805190841 /nfs/dbraw/zinc/19/08/41/805190841.db2.gz GQXXHSSNPDDCEQ-AWEZNQCLSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@@H](CC)CCC)C2)C1 ZINC001148506592 805190844 /nfs/dbraw/zinc/19/08/44/805190844.db2.gz GQXXHSSNPDDCEQ-AWEZNQCLSA-N 1 1 298.858 3.100 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](C(F)F)C2)c1F ZINC001249685764 805210690 /nfs/dbraw/zinc/21/06/90/805210690.db2.gz QQPKGJRBTYIYBB-GFCCVEGCSA-N 1 1 268.282 3.174 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](C(F)F)C2)c1F ZINC001249685764 805210703 /nfs/dbraw/zinc/21/07/03/805210703.db2.gz QQPKGJRBTYIYBB-GFCCVEGCSA-N 1 1 268.282 3.174 20 30 CGEDMO COCC[C@H]1CCCC[N@H+]1Cc1cccc(C#N)c1F ZINC001249685031 805211734 /nfs/dbraw/zinc/21/17/34/805211734.db2.gz AULXCQYSOBMPSE-OAHLLOKOSA-N 1 1 276.355 3.088 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cnc(Br)c(OC)c1 ZINC001249839737 805258259 /nfs/dbraw/zinc/25/82/59/805258259.db2.gz GVNJYOKSLXZXKC-UHFFFAOYSA-N 1 1 299.212 3.251 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1ccc(C)s1 ZINC001151632032 805303232 /nfs/dbraw/zinc/30/32/32/805303232.db2.gz WWQQUEYJKNILMG-GFCCVEGCSA-N 1 1 280.437 3.073 20 30 CGEDMO CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)CSC ZINC001151748608 805311380 /nfs/dbraw/zinc/31/13/80/805311380.db2.gz MIRWLRBUQNOFJY-CQSZACIVSA-N 1 1 288.501 3.146 20 30 CGEDMO C=CC[N@H+](C)Cc1ccnc(OCc2ccccc2)c1 ZINC001249976968 805338009 /nfs/dbraw/zinc/33/80/09/805338009.db2.gz WBWZJYXKJQASOT-UHFFFAOYSA-N 1 1 268.360 3.278 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)C(C)C ZINC001152340245 805345737 /nfs/dbraw/zinc/34/57/37/805345737.db2.gz PVQAAEHCILGVIW-HZPDHXFCSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)CC1(C)CCCC1 ZINC001153133499 805384778 /nfs/dbraw/zinc/38/47/78/805384778.db2.gz MFOQUWGYANNWIY-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)C#CC(C)C ZINC001153214561 805387101 /nfs/dbraw/zinc/38/71/01/805387101.db2.gz OTEZTENNQJWOJV-QGZVFWFLSA-N 1 1 294.483 3.443 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1ccsc1C ZINC001153215135 805387897 /nfs/dbraw/zinc/38/78/97/805387897.db2.gz UAVLLTHTYUCZKZ-GFCCVEGCSA-N 1 1 280.437 3.073 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H](C)[N@@H+](CC)CC[C@@H](C)F ZINC001153608280 805407124 /nfs/dbraw/zinc/40/71/24/805407124.db2.gz FABAEVYKWDFMBQ-ZIAGYGMSSA-N 1 1 286.435 3.163 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccccc1 ZINC001153642270 805409549 /nfs/dbraw/zinc/40/95/49/805409549.db2.gz UISIIRHMYZQTRK-MRXNPFEDSA-N 1 1 288.435 3.370 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)C[C@H]1C=CCCC1 ZINC001153990570 805424146 /nfs/dbraw/zinc/42/41/46/805424146.db2.gz KLGWQMIRTVFEMX-CVEARBPZSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)C1(F)CCCC1 ZINC001154102740 805434124 /nfs/dbraw/zinc/43/41/24/805434124.db2.gz KSRAUSIQLQJATG-CQSZACIVSA-N 1 1 284.419 3.062 20 30 CGEDMO CC#CCCCC(=O)NC[C@@H](C)[N@H+](CC)C[C@@H](C)CC ZINC001154719877 805480211 /nfs/dbraw/zinc/48/02/11/805480211.db2.gz OFNFNEPSBFULTM-JKSUJKDBSA-N 1 1 280.456 3.053 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)CC1CCC1 ZINC001154742343 805481603 /nfs/dbraw/zinc/48/16/03/805481603.db2.gz DFUKSDZEHVCCTG-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H](C)[N@@H+](CC)CCC(=C)C ZINC001155072962 805534979 /nfs/dbraw/zinc/53/49/79/805534979.db2.gz QFLFDTPDZWMUHT-NVXWUHKLSA-N 1 1 280.456 3.382 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)C(C)(F)F ZINC001155306738 805570869 /nfs/dbraw/zinc/57/08/69/805570869.db2.gz JTCCLUXIRJVYTB-CHWSQXEVSA-N 1 1 290.398 3.071 20 30 CGEDMO CC(C)(Nc1nc2[nH]ccc2c[nH+]1)c1ccc(C#N)cc1 ZINC001165735156 807016984 /nfs/dbraw/zinc/01/69/84/807016984.db2.gz WLHMGYZYIAKXDH-UHFFFAOYSA-N 1 1 277.331 3.128 20 30 CGEDMO C[N@@H+](Cc1ccc(Cl)nc1)C1CCC(C#N)CC1 ZINC001256971100 807020075 /nfs/dbraw/zinc/02/00/75/807020075.db2.gz BKTRZLNFKXKOIQ-UHFFFAOYSA-N 1 1 263.772 3.249 20 30 CGEDMO C[C@@H]1C(=O)CC[N@@H+](C2CCC(C#N)CC2)C12CCCC2 ZINC001256971144 807020141 /nfs/dbraw/zinc/02/01/41/807020141.db2.gz JXXXVPOWGUTUOW-WLYUNCDWSA-N 1 1 274.408 3.292 20 30 CGEDMO N#Cc1ccc(C2CCC([N@H+]3CCC[C@@H](CO)C3)CC2)cc1 ZINC001257016213 807027604 /nfs/dbraw/zinc/02/76/04/807027604.db2.gz YJUCQRHOZBPFKQ-IPJUCJBFSA-N 1 1 298.430 3.289 20 30 CGEDMO N#Cc1ccc(C2CCC([N@H+]3CC[C@H]4OCC[C@H]43)CC2)cc1 ZINC001257016431 807027693 /nfs/dbraw/zinc/02/76/93/807027693.db2.gz DEISBEKOTABCPJ-CSODTCANSA-N 1 1 296.414 3.448 20 30 CGEDMO C[C@H]1CC[C@@H](CO)[N@H+]1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257017543 807028112 /nfs/dbraw/zinc/02/81/12/807028112.db2.gz WECKXJJTNHQSKK-QKHJWGRCSA-N 1 1 298.430 3.430 20 30 CGEDMO CCCCOC(=O)CC[C@H](C)[N@@H+](CCC)CCC#N ZINC001257398870 807136912 /nfs/dbraw/zinc/13/69/12/807136912.db2.gz STNSYFYRVPISAO-AWEZNQCLSA-N 1 1 268.401 3.124 20 30 CGEDMO C#CCCCCCC[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC001167100838 807150527 /nfs/dbraw/zinc/15/05/27/807150527.db2.gz OEGRODWHZTZWGD-INIZCTEOSA-N 1 1 271.408 3.240 20 30 CGEDMO N#Cc1ccnc(C[N@H+]2CCC[C@H]2C2CCCC2)c1 ZINC001167123724 807155600 /nfs/dbraw/zinc/15/56/00/807155600.db2.gz WTISCSWYKSUGRK-INIZCTEOSA-N 1 1 255.365 3.108 20 30 CGEDMO N#Cc1cccc([C@H](O)C[N@H+]2CCC[C@]3(CC=CCC3)C2)c1 ZINC001167382296 807188939 /nfs/dbraw/zinc/18/89/39/807188939.db2.gz XLTCUEUBWRSTJV-RTBURBONSA-N 1 1 296.414 3.414 20 30 CGEDMO C=CC[N@@H+](C[C@H]1C[C@]12CCOC2)CC1CCCCC1 ZINC001167392393 807189826 /nfs/dbraw/zinc/18/98/26/807189826.db2.gz TXEVPWSEYODKNJ-SJORKVTESA-N 1 1 263.425 3.481 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)Cc1ccc(Br)cc1 ZINC001257563940 807198678 /nfs/dbraw/zinc/19/86/78/807198678.db2.gz IUJYBJXBALDKPM-LLVKDONJSA-N 1 1 268.198 3.498 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+](C)CCCN(C)C)C[C@H](C1)C2 ZINC001257889524 807239810 /nfs/dbraw/zinc/23/98/10/807239810.db2.gz CYHWRTULFHJXJW-XYPWUTKMSA-N 1 1 250.430 3.005 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+](C)CCCN(C)C)C[C@H](C1)C2 ZINC001257889524 807239812 /nfs/dbraw/zinc/23/98/12/807239812.db2.gz CYHWRTULFHJXJW-XYPWUTKMSA-N 1 1 250.430 3.005 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCCNc1nc(Cl)ccc1C#N ZINC001167749064 807240802 /nfs/dbraw/zinc/24/08/02/807240802.db2.gz WTPURKCBFGRLCM-LBPRGKRZSA-N 1 1 292.814 3.283 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+](CCCO)C(C)C)C[C@H](C1)C2 ZINC001257892900 807242271 /nfs/dbraw/zinc/24/22/71/807242271.db2.gz IKHJAENUTNYQQY-XYPWUTKMSA-N 1 1 251.414 3.214 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3C[C@H]4OC[C@@H](C)[C@H]4C3)C[C@H](C1)C2 ZINC001257895154 807244881 /nfs/dbraw/zinc/24/48/81/807244881.db2.gz JEGRCEDNPZPPRE-MZJLOALESA-N 1 1 261.409 3.088 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+](C)[C@H](C(=O)OC)C(C)C)C[C@H](C1)C2 ZINC001257895600 807245335 /nfs/dbraw/zinc/24/53/35/807245335.db2.gz VFGCYIRODBNXBB-QXULXFAOSA-N 1 1 279.424 3.251 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+]([C@H]2COc3ccc(Cl)cc3C2)C1 ZINC001257968218 807259110 /nfs/dbraw/zinc/25/91/10/807259110.db2.gz KASZNOPDVLYMRD-IUODEOHRSA-N 1 1 290.794 3.269 20 30 CGEDMO N#CC[C@H]1CCC[N@H+]([C@H]2COc3ccc(Cl)cc3C2)C1 ZINC001257968218 807259113 /nfs/dbraw/zinc/25/91/13/807259113.db2.gz KASZNOPDVLYMRD-IUODEOHRSA-N 1 1 290.794 3.269 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC001258044398 807274223 /nfs/dbraw/zinc/27/42/23/807274223.db2.gz MXPIDZMQDCYRPD-SOUVJXGZSA-N 1 1 257.418 3.081 20 30 CGEDMO C=CCOc1ccc(C[N@H+](CC[N+](=O)[O-])C(C)(C)C)cc1 ZINC001168017354 807301440 /nfs/dbraw/zinc/30/14/40/807301440.db2.gz IEOQGMBNEFFPLY-UHFFFAOYSA-N 1 1 292.379 3.129 20 30 CGEDMO CCOC(=O)CCC[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001258127842 807316639 /nfs/dbraw/zinc/31/66/39/807316639.db2.gz XGQRBJVFDZNDHF-AWEZNQCLSA-N 1 1 288.391 3.112 20 30 CGEDMO CCCC[N@@H+](CCC#N)[C@@H]1Cc2ccc(OC)cc2C1 ZINC001168274473 807370964 /nfs/dbraw/zinc/37/09/64/807370964.db2.gz SVFBAXGDRWFMSG-MRXNPFEDSA-N 1 1 272.392 3.178 20 30 CGEDMO C=CC[N@H+]([C@@H]1Cc2ccc(OC)cc2C1)C(C)(C)C ZINC001168289350 807374092 /nfs/dbraw/zinc/37/40/92/807374092.db2.gz QWIUKOLHCCBATR-OAHLLOKOSA-N 1 1 259.393 3.449 20 30 CGEDMO C=C[C@@H]1C[C@@]1([NH2+]C1CCCCCCC1)C(=O)OCC ZINC001258235698 807382151 /nfs/dbraw/zinc/38/21/51/807382151.db2.gz VFPXNFSAHMREEA-CJNGLKHVSA-N 1 1 265.397 3.197 20 30 CGEDMO C=CCCCC[N@@H+](C)C1CCN(CC2CC2)CC1 ZINC001168389609 807400847 /nfs/dbraw/zinc/40/08/47/807400847.db2.gz TUQOXGZANPBABZ-UHFFFAOYSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CCCCC[N@H+](C)C1CCN(CC2CC2)CC1 ZINC001168389609 807400852 /nfs/dbraw/zinc/40/08/52/807400852.db2.gz TUQOXGZANPBABZ-UHFFFAOYSA-N 1 1 250.430 3.149 20 30 CGEDMO N#C[C@@H]1CCC[N@H+]([C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168440048 807415441 /nfs/dbraw/zinc/41/54/41/807415441.db2.gz FOANARDZJXOJDO-DYVFJYSZSA-N 1 1 272.367 3.309 20 30 CGEDMO C[C@H](Cc1cccc(F)c1)[N@H+]1CCC[C@H](CC#N)C1 ZINC001168492384 807434934 /nfs/dbraw/zinc/43/49/34/807434934.db2.gz RBPWRLZXYFQAJB-ZIAGYGMSSA-N 1 1 260.356 3.382 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](C2CCN(c3cccc(F)c3)CC2)C1 ZINC001258428560 807447036 /nfs/dbraw/zinc/44/70/36/807447036.db2.gz VLHDWTPMHLOZTM-QGZVFWFLSA-N 1 1 287.382 3.030 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@@H]2CCO[C@@H](c3ccc(OC)cc3)C2)C1 ZINC001168665318 807470828 /nfs/dbraw/zinc/47/08/28/807470828.db2.gz PASLCNYMPVYEAT-SZVBFZGTSA-N 1 1 299.414 3.261 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](C2CCN(c3ccccc3)CC2)CC1 ZINC001258514402 807482906 /nfs/dbraw/zinc/48/29/06/807482906.db2.gz IRAKYMHMEGIWNA-MRXNPFEDSA-N 1 1 283.419 3.281 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+]([C@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168733900 807498010 /nfs/dbraw/zinc/49/80/10/807498010.db2.gz DDRBKMWZNVDSBY-JSGCOSHPSA-N 1 1 274.795 3.433 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168872127 807532659 /nfs/dbraw/zinc/53/26/59/807532659.db2.gz KYAYEWZICBXJIQ-ZIAGYGMSSA-N 1 1 282.428 3.282 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039901 807556879 /nfs/dbraw/zinc/55/68/79/807556879.db2.gz VOTYNUQEHLGBLM-JKSUJKDBSA-N 1 1 274.364 3.120 20 30 CGEDMO C=CCC[C@@H](C)[NH2+][C@@H](CCc1ccccc1)C(=O)OCC ZINC001258717503 807567749 /nfs/dbraw/zinc/56/77/49/807567749.db2.gz OWWFAWDRTZFXED-WBVHZDCISA-N 1 1 289.419 3.495 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC001258725828 807573206 /nfs/dbraw/zinc/57/32/06/807573206.db2.gz NOVAPMKFYFGGNQ-DOTOQJQBSA-N 1 1 258.409 3.330 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]2OCCC[C@@]2(COCC=C)C1 ZINC001258729844 807575739 /nfs/dbraw/zinc/57/57/39/807575739.db2.gz ZCUDSSDVOLIQNH-KSZLIROESA-N 1 1 293.451 3.415 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1Cc2c(cnn2CC)[C@H](COCC)C1 ZINC001258729463 807575945 /nfs/dbraw/zinc/57/59/45/807575945.db2.gz VINBRGRAEZJUJY-GJZGRUSLSA-N 1 1 291.439 3.193 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1Cc2cnn(CC)c2[C@H](COCC)C1 ZINC001258729689 807576323 /nfs/dbraw/zinc/57/63/23/807576323.db2.gz XFUNYEJBBFFAOL-HOCLYGCPSA-N 1 1 291.439 3.193 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@](C)(C(=O)OCC)C1 ZINC001258732474 807577304 /nfs/dbraw/zinc/57/73/04/807577304.db2.gz MAMYSDDRBNNUMK-HIFRSBDPSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](Oc2ncccc2C)C1 ZINC001258736146 807581731 /nfs/dbraw/zinc/58/17/31/807581731.db2.gz MDRKUTFUYLXSTN-GJZGRUSLSA-N 1 1 260.381 3.198 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](Oc2ncccc2C)C1 ZINC001258736148 807582035 /nfs/dbraw/zinc/58/20/35/807582035.db2.gz MDRKUTFUYLXSTN-LSDHHAIUSA-N 1 1 260.381 3.198 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](N2CCCCC2)[C@@H](F)C1 ZINC001258736431 807582466 /nfs/dbraw/zinc/58/24/66/807582466.db2.gz SPQBJFXDYIITMO-JYJNAYRXSA-N 1 1 268.420 3.239 20 30 CGEDMO C=CCC[C@H](C)N1CC[C@H]([NH+]2CCCCC2)[C@@H](F)C1 ZINC001258736431 807582470 /nfs/dbraw/zinc/58/24/70/807582470.db2.gz SPQBJFXDYIITMO-JYJNAYRXSA-N 1 1 268.420 3.239 20 30 CGEDMO C=CCN1CC[NH+]([C@@H](C)Cc2cccc(Cl)c2)CC1 ZINC001258749478 807590004 /nfs/dbraw/zinc/59/00/04/807590004.db2.gz KCNHIWJTOJKZFU-AWEZNQCLSA-N 1 1 278.827 3.075 20 30 CGEDMO C=C[C@@H]1C[C@@]1([NH2+][C@H](CCC)CCCC)C(=O)OCC ZINC001258757185 807596269 /nfs/dbraw/zinc/59/62/69/807596269.db2.gz KAYXBUDRQVNJOS-FMKPAKJESA-N 1 1 267.413 3.443 20 30 CGEDMO CCN(C)c1nc(NC23CCC(C#N)(CC2)CC3)[nH+]cc1C ZINC001169744202 807702518 /nfs/dbraw/zinc/70/25/18/807702518.db2.gz QGQZQRCLQLYQJE-UHFFFAOYSA-N 1 1 299.422 3.270 20 30 CGEDMO C=C[C@@H](CO)Nc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001169784832 807709253 /nfs/dbraw/zinc/70/92/53/807709253.db2.gz VIQSHGTUHLSCTE-SFHVURJKSA-N 1 1 294.398 3.161 20 30 CGEDMO Cc1cc(OCCCOc2cccc(C#N)c2)cc[nH+]1 ZINC001261200416 807714269 /nfs/dbraw/zinc/71/42/69/807714269.db2.gz YEQOZPAKFOZTLO-UHFFFAOYSA-N 1 1 268.316 3.110 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccccc2N2CCCC2)CCCC1 ZINC001261513167 807754562 /nfs/dbraw/zinc/75/45/62/807754562.db2.gz LOYMTZKCUDOTJG-UHFFFAOYSA-N 1 1 283.419 3.460 20 30 CGEDMO C[N@@H+](CCc1ccc(C#N)cc1)Cc1cc(C(C)(C)C)n[nH]1 ZINC001261638794 807771296 /nfs/dbraw/zinc/77/12/96/807771296.db2.gz MLPRUPACSGNBBN-UHFFFAOYSA-N 1 1 296.418 3.253 20 30 CGEDMO C#CC[N@@H+](Cc1coc(-c2ccccc2F)n1)CC1CC1 ZINC001261795221 807789092 /nfs/dbraw/zinc/78/90/92/807789092.db2.gz ODLAIXXQTGHOEH-UHFFFAOYSA-N 1 1 284.334 3.326 20 30 CGEDMO C#CC[N@H+](Cc1coc(-c2ccccc2F)n1)CC1CC1 ZINC001261795221 807789095 /nfs/dbraw/zinc/78/90/95/807789095.db2.gz ODLAIXXQTGHOEH-UHFFFAOYSA-N 1 1 284.334 3.326 20 30 CGEDMO COc1ccc(C[C@H](C)[N@@H+](C)Cc2cccc(C#N)n2)cc1 ZINC001262007641 807804606 /nfs/dbraw/zinc/80/46/06/807804606.db2.gz MMUQABRALRKSIF-AWEZNQCLSA-N 1 1 295.386 3.025 20 30 CGEDMO C=CCCCNc1cc(N2CCCC2)nc(SC)[nH+]1 ZINC001170296445 807819719 /nfs/dbraw/zinc/81/97/19/807819719.db2.gz JKELDVIXQIPVDD-UHFFFAOYSA-N 1 1 278.425 3.177 20 30 CGEDMO C=CCCCNc1cc(N2CCCC2)[nH+]c(SC)n1 ZINC001170296445 807819726 /nfs/dbraw/zinc/81/97/26/807819726.db2.gz JKELDVIXQIPVDD-UHFFFAOYSA-N 1 1 278.425 3.177 20 30 CGEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCC[C@H](O)CC2)CC1 ZINC001170379404 807831705 /nfs/dbraw/zinc/83/17/05/807831705.db2.gz XFXKWBKZZGNLCV-XBMUEBEBSA-N 1 1 298.430 3.237 20 30 CGEDMO C[C@@H](CO)[N@@H+](Cc1cc(Cl)cc(C#N)c1)C1CCCC1 ZINC001262270480 807843843 /nfs/dbraw/zinc/84/38/43/807843843.db2.gz XSAPVICXACKEBN-LBPRGKRZSA-N 1 1 292.810 3.337 20 30 CGEDMO CC(C)CN1CCC([NH2+][C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171191801 808005193 /nfs/dbraw/zinc/00/51/93/808005193.db2.gz FPZPIWWSZGMGGO-MRXNPFEDSA-N 1 1 299.462 3.199 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(CC)CCCC1 ZINC001263816601 808007907 /nfs/dbraw/zinc/00/79/07/808007907.db2.gz FKCOWVZNGNNKHB-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC001171220492 808011123 /nfs/dbraw/zinc/01/11/23/808011123.db2.gz AOOHPKYFFPQVLM-CABCVRRESA-N 1 1 267.376 3.115 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCc2ncsc2C1 ZINC001171222330 808013052 /nfs/dbraw/zinc/01/30/52/808013052.db2.gz FTAFXZUIFSKKQK-GFCCVEGCSA-N 1 1 283.400 3.004 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+](C)CC(=O)c1ccccc1 ZINC001171228644 808014101 /nfs/dbraw/zinc/01/41/01/808014101.db2.gz HOLSDGIABDHGDC-HNNXBMFYSA-N 1 1 292.382 3.304 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)CC(=O)c1ccccc1 ZINC001171228644 808014109 /nfs/dbraw/zinc/01/41/09/808014109.db2.gz HOLSDGIABDHGDC-HNNXBMFYSA-N 1 1 292.382 3.304 20 30 CGEDMO C=CCOc1ccccc1[C@H](C)Nc1ccc(N)[nH+]c1 ZINC001171374892 808039288 /nfs/dbraw/zinc/03/92/88/808039288.db2.gz YQXIHRUMSWEAMC-LBPRGKRZSA-N 1 1 269.348 3.402 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2(CCC)CC2)[C@H]1C ZINC001264160595 808041018 /nfs/dbraw/zinc/04/10/18/808041018.db2.gz WHYCAFCWSQCLBO-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC=CCC2)[C@H]1CC ZINC001264600200 808079662 /nfs/dbraw/zinc/07/96/62/808079662.db2.gz HDEZUFDBKBZROZ-IXDOHACOSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C2(C)CC=CC2)[C@H]1CC ZINC001264617351 808082200 /nfs/dbraw/zinc/08/22/00/808082200.db2.gz KKLLELQNVORDIQ-JKSUJKDBSA-N 1 1 290.451 3.278 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)C(CC)CC)CC(C)(C)C1 ZINC001264749880 808092364 /nfs/dbraw/zinc/09/23/64/808092364.db2.gz NCKLHUHGOMLNEF-INIZCTEOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@@H+](CCCNC(=O)C(C)(C)C(=C)C)C1CC1 ZINC001265170044 808115837 /nfs/dbraw/zinc/11/58/37/808115837.db2.gz MAASWFUGQBSSFU-UHFFFAOYSA-N 1 1 278.440 3.136 20 30 CGEDMO N#CCCC[N@H+]1CCC[C@H]2O[C@@H](c3ccccc3)C[C@H]21 ZINC001171676841 808119973 /nfs/dbraw/zinc/11/99/73/808119973.db2.gz BXTDEHFSMDZPTM-BRWVUGGUSA-N 1 1 270.376 3.285 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@](C)(CC)CCCCC)C1 ZINC001265319260 808130147 /nfs/dbraw/zinc/13/01/47/808130147.db2.gz KLKQJGBPMKPHGR-NVXWUHKLSA-N 1 1 280.456 3.360 20 30 CGEDMO N#Cc1cccc([C@H](O)C[N@H+]2CCCC[C@@H]2C2CCC2)c1 ZINC001171751145 808132122 /nfs/dbraw/zinc/13/21/22/808132122.db2.gz IECIFWZAYBZPIS-QZTJIDSGSA-N 1 1 284.403 3.246 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@H](C)C2CC2)C1 ZINC001265401142 808139828 /nfs/dbraw/zinc/13/98/28/808139828.db2.gz KWYTZGVTMGFRIQ-HOTGVXAUSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](C[N@@H+](C)CCCF)C1 ZINC001265395269 808139930 /nfs/dbraw/zinc/13/99/30/808139930.db2.gz SFLHYPINWYCMJK-RDJZCZTQSA-N 1 1 298.446 3.119 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](CCC)C(C)C)C1 ZINC001265396431 808140045 /nfs/dbraw/zinc/14/00/45/808140045.db2.gz DBWKYXYRSLQSRO-SJORKVTESA-N 1 1 294.483 3.415 20 30 CGEDMO CCCC[N@@H+](CCC#N)[C@H]1Cc2cccc(F)c2C1 ZINC001171801880 808143152 /nfs/dbraw/zinc/14/31/52/808143152.db2.gz SAJKZMZIWNFMKO-AWEZNQCLSA-N 1 1 260.356 3.309 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)CC2(C)CCCC2)C1 ZINC001265582400 808156892 /nfs/dbraw/zinc/15/68/92/808156892.db2.gz QZPULTMAGPGZBD-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO CN(CCC#N)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172079971 808170155 /nfs/dbraw/zinc/17/01/55/808170155.db2.gz RMRBLCOWYDZRQL-REPLKXPHSA-N 1 1 297.446 3.418 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C(C)C)C1 ZINC001265702316 808170184 /nfs/dbraw/zinc/17/01/84/808170184.db2.gz BZKKKOPKPFGRSD-GJZGRUSLSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001265705769 808171745 /nfs/dbraw/zinc/17/17/45/808171745.db2.gz MRJQASRURLGMNQ-HOCLYGCPSA-N 1 1 292.467 3.215 20 30 CGEDMO CCCCN(CCC#N)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172121949 808182145 /nfs/dbraw/zinc/18/21/45/808182145.db2.gz NTUSJTTZLAYHKG-ZSHCYNCHSA-N 1 1 263.429 3.017 20 30 CGEDMO CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+](C)Cc1ccc(C#N)cc1)C2 ZINC001172121996 808182497 /nfs/dbraw/zinc/18/24/97/808182497.db2.gz OQORWFMJIJLKJA-BCDXTJNWSA-N 1 1 283.419 3.005 20 30 CGEDMO CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+](C)Cc1ccc(C#N)cc1)C2 ZINC001172121996 808182500 /nfs/dbraw/zinc/18/25/00/808182500.db2.gz OQORWFMJIJLKJA-BCDXTJNWSA-N 1 1 283.419 3.005 20 30 CGEDMO C=CCCC[N@@H+](C)CCCNC(=O)[C@@]1(C)CC=CCC1 ZINC001265854233 808188967 /nfs/dbraw/zinc/18/89/67/808188967.db2.gz PVCDDZDXIISMAH-KRWDZBQOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CC[N@H+](C)CCCNC(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001265933367 808194705 /nfs/dbraw/zinc/19/47/05/808194705.db2.gz KUAWKHAAXAGLQF-YOEHRIQHSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[C@@H]([N@@H+](C)CCC2CC2)C1 ZINC001266108400 808213470 /nfs/dbraw/zinc/21/34/70/808213470.db2.gz WEKPURYORFBINF-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CC(Oc2ccccc2)C1 ZINC001172306976 808221531 /nfs/dbraw/zinc/22/15/31/808221531.db2.gz MBNISMDGAWHTGF-HNNXBMFYSA-N 1 1 292.382 3.252 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCCC[C@H](F)C1 ZINC001172316947 808227058 /nfs/dbraw/zinc/22/70/58/808227058.db2.gz YXHNZKBWASXFFI-BBRMVZONSA-N 1 1 260.356 3.313 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2c(C)coc2C)C1 ZINC001266216781 808227825 /nfs/dbraw/zinc/22/78/25/808227825.db2.gz WICBYQVVCYWPHA-HNNXBMFYSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1CCC[N@H+](CC[C@@H](C)F)C1 ZINC001266222025 808229612 /nfs/dbraw/zinc/22/96/12/808229612.db2.gz MMWNLHKCHYHGTH-GDBMZVCRSA-N 1 1 296.430 3.084 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)CC/C=C/c2ccccc2)C1 ZINC001266239783 808231578 /nfs/dbraw/zinc/23/15/78/808231578.db2.gz JFTJEDAIQLAPPO-PMQIGOLDSA-N 1 1 298.430 3.247 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](CC)CC(C)C ZINC001266240887 808231843 /nfs/dbraw/zinc/23/18/43/808231843.db2.gz FNWDFQSXXVZUGR-IRXDYDNUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCOC(=O)[C@H](CC(C)C)[NH2+][C@H](C)CCO[C@H](C)CC ZINC001172326708 808235407 /nfs/dbraw/zinc/23/54/07/808235407.db2.gz LDEFQQXGSLFLFM-OAGGEKHMSA-N 1 1 299.455 3.314 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001266314976 808240930 /nfs/dbraw/zinc/24/09/30/808240930.db2.gz NEOVMLDRJBHUNC-UKRRQHHQSA-N 1 1 294.414 3.329 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)CCCCCC)C1 ZINC001266333361 808243335 /nfs/dbraw/zinc/24/33/35/808243335.db2.gz LRVXLNQMBAIXED-SJORKVTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=C1CC(C)(C(=O)NCC[N@H+](C)CCC2=CCCCC2)C1 ZINC001266323769 808243738 /nfs/dbraw/zinc/24/37/38/808243738.db2.gz MYRNDULMOMMEKH-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)[C@@H](C)[C@@H](C)C(C)(C)C ZINC001266338176 808244826 /nfs/dbraw/zinc/24/48/26/808244826.db2.gz YITQGAWKZDESOE-LSDHHAIUSA-N 1 1 282.472 3.319 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(CC)cc1 ZINC001266354652 808247692 /nfs/dbraw/zinc/24/76/92/808247692.db2.gz IKWOPVAKVZHCIK-OAHLLOKOSA-N 1 1 288.435 3.265 20 30 CGEDMO C=C(C)C[N@H+](C)CCNC(=O)c1cc(CCC)c(C)s1 ZINC001266357365 808248800 /nfs/dbraw/zinc/24/88/00/808248800.db2.gz VURACBDZKOSNEV-UHFFFAOYSA-N 1 1 294.464 3.247 20 30 CGEDMO CCCCCCC[C@H](CC)[N@@H+]1CCO[C@@H](CN(C)C)C1 ZINC001172357223 808252415 /nfs/dbraw/zinc/25/24/15/808252415.db2.gz JOEJUSDXNFCNSN-IRXDYDNUSA-N 1 1 284.488 3.388 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CCO[C@@H](CN(C)C)C1 ZINC001172357223 808252419 /nfs/dbraw/zinc/25/24/19/808252419.db2.gz JOEJUSDXNFCNSN-IRXDYDNUSA-N 1 1 284.488 3.388 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)=C2CCC2)C1 ZINC001266456280 808268610 /nfs/dbraw/zinc/26/86/10/808268610.db2.gz UABJTZZXTSJIFK-INIZCTEOSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)C2CC(C)(C)C2)C1 ZINC001266455849 808269327 /nfs/dbraw/zinc/26/93/27/808269327.db2.gz MFIHRYCTKKMAGG-OAHLLOKOSA-N 1 1 292.467 3.169 20 30 CGEDMO CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)CCC)C1 ZINC001266465945 808271522 /nfs/dbraw/zinc/27/15/22/808271522.db2.gz GFNISOLGGWBRRE-INIZCTEOSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC(C)C ZINC001266475186 808272396 /nfs/dbraw/zinc/27/23/96/808272396.db2.gz AZSQZZICKFYUDD-IYBDPMFKSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@](C)(CC)CCC ZINC001266488796 808275345 /nfs/dbraw/zinc/27/53/45/808275345.db2.gz PPXIHPOTILBPEQ-WBVHZDCISA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](CNC(=O)C2CC(C)C2)C1 ZINC001266507852 808278943 /nfs/dbraw/zinc/27/89/43/808278943.db2.gz CTPATPUNPSEVCF-AQFXKWCLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H](CCCC)C(C)C)C1 ZINC001266551320 808285103 /nfs/dbraw/zinc/28/51/03/808285103.db2.gz PHRMXEIJJLSLOE-IAGOWNOFSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@@H+](CCC)CCNC(=O)c1ccccc1C ZINC001266554015 808285932 /nfs/dbraw/zinc/28/59/32/808285932.db2.gz MOXXMKZSKDFNSY-UHFFFAOYSA-N 1 1 274.408 3.013 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)c1cc(C(C)C)oc1C ZINC001266575682 808289881 /nfs/dbraw/zinc/28/98/81/808289881.db2.gz YXSYAEJSPZXTHS-UHFFFAOYSA-N 1 1 292.423 3.339 20 30 CGEDMO C=C(C)CC[N@@H+](CCNC(=O)CC1CCCC1)C1CC1 ZINC001266581645 808292237 /nfs/dbraw/zinc/29/22/37/808292237.db2.gz JIOLDVASFXYVLT-UHFFFAOYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@@H+](CCNC(=O)c1ccsc1C)C1CC1 ZINC001266590190 808293298 /nfs/dbraw/zinc/29/32/98/808293298.db2.gz DSHBUNNOSWXCJN-UHFFFAOYSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCCF)C1 ZINC001266659776 808302998 /nfs/dbraw/zinc/30/29/98/808302998.db2.gz RSSBXJJKDPOPQT-HOTGVXAUSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC(CC)CC ZINC001266857395 808326135 /nfs/dbraw/zinc/32/61/35/808326135.db2.gz LQMTWOSBYOXWIS-MRXNPFEDSA-N 1 1 280.456 3.360 20 30 CGEDMO C[C@@H](CCCC#N)[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC001172479683 808343375 /nfs/dbraw/zinc/34/33/75/808343375.db2.gz JKCSQYDMWYAGOR-FUHWJXTLSA-N 1 1 285.435 3.180 20 30 CGEDMO COC(=O)[C@H](CC1CCCCC1)[NH2+][C@H](C)CCCC#N ZINC001172486720 808347515 /nfs/dbraw/zinc/34/75/15/808347515.db2.gz DINZKQVXNCCOQC-HIFRSBDPSA-N 1 1 280.412 3.170 20 30 CGEDMO CCCCCCCC[C@@H](CC)[NH2+]CCCN(C)CCO ZINC001172505927 808362064 /nfs/dbraw/zinc/36/20/64/808362064.db2.gz XLMILMNVMZCEDU-QGZVFWFLSA-N 1 1 286.504 3.419 20 30 CGEDMO COc1ccccc1O[C@@H]1CC[N@H+]([C@H](C)CCCC#N)C1 ZINC001172507460 808364730 /nfs/dbraw/zinc/36/47/30/808364730.db2.gz UZOJMBSHFVZFGX-HUUCEWRRSA-N 1 1 288.391 3.231 20 30 CGEDMO CCCCCCC[C@@H](CCC)[N@H+]1CCNC(=O)CC1 ZINC001172507859 808365017 /nfs/dbraw/zinc/36/50/17/808365017.db2.gz BWLVBHQXUYDVSY-OAHLLOKOSA-N 1 1 268.445 3.338 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)C(C)(CC)CC ZINC001267182156 808375789 /nfs/dbraw/zinc/37/57/89/808375789.db2.gz VPRFBPJUMMNBAP-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)c1c[nH]c2ccccc12 ZINC001267245771 808394704 /nfs/dbraw/zinc/39/47/04/808394704.db2.gz SONUJISVKKXWGX-UHFFFAOYSA-N 1 1 299.418 3.186 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)CC1CCCCC1 ZINC001267259499 808399181 /nfs/dbraw/zinc/39/91/81/808399181.db2.gz BUCFNQPXWQEHLD-OAHLLOKOSA-N 1 1 298.858 3.290 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)CC1CCCCC1 ZINC001267259499 808399188 /nfs/dbraw/zinc/39/91/88/808399188.db2.gz BUCFNQPXWQEHLD-OAHLLOKOSA-N 1 1 298.858 3.290 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(CC)(CC)CC ZINC001267279783 808403344 /nfs/dbraw/zinc/40/33/44/808403344.db2.gz LCNZCPFMRFOFLG-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1CC[N@H+](CC/C=C\CC)C1 ZINC001267298175 808407011 /nfs/dbraw/zinc/40/70/11/808407011.db2.gz KOWSOUVGEYYEFR-XITLMJRVSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001267299427 808407301 /nfs/dbraw/zinc/40/73/01/808407301.db2.gz YHKKBYDFQLVNCS-OAHLLOKOSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](CNC(=O)C(C)(C)CC=C)C1 ZINC001267303818 808408183 /nfs/dbraw/zinc/40/81/83/808408183.db2.gz RWNNZVQFGXYBPE-JKSUJKDBSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)CC[C@@H](C)CC)C1 ZINC001267306479 808408709 /nfs/dbraw/zinc/40/87/09/808408709.db2.gz WQWKKVYSBUIKAK-JSGCOSHPSA-N 1 1 286.847 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)CC[C@@H](C)CC)C1 ZINC001267306479 808408711 /nfs/dbraw/zinc/40/87/11/808408711.db2.gz WQWKKVYSBUIKAK-JSGCOSHPSA-N 1 1 286.847 3.003 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](CNC(=O)C(C)(C)CC=C)C1 ZINC001267303816 808408776 /nfs/dbraw/zinc/40/87/76/808408776.db2.gz RWNNZVQFGXYBPE-HZPDHXFCSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CNC(=O)CCC2CCCCC2)C1 ZINC001267306595 808410169 /nfs/dbraw/zinc/41/01/69/808410169.db2.gz WLVOKECXFAZIKG-QGZVFWFLSA-N 1 1 292.467 3.361 20 30 CGEDMO C#CC[N@@H+](CCC)CCNC(=O)C[C@H](C)C1CCCCC1 ZINC001267318656 808413380 /nfs/dbraw/zinc/41/33/80/808413380.db2.gz QDJWATLVEMXLFY-INIZCTEOSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CC[N@H+]([C@H](C)CCC(=O)OC(C)C)C(C)(C)C ZINC001172762542 808432894 /nfs/dbraw/zinc/43/28/94/808432894.db2.gz MHNDWGKDKGMJPE-CYBMUJFWSA-N 1 1 255.402 3.393 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1)C(C)C ZINC001267505075 808435519 /nfs/dbraw/zinc/43/55/19/808435519.db2.gz IEFZXDOSSHQZKG-OSYLJGHBSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)C1C[C@@H](C)C[C@H](C)C1)C(C)C ZINC001267512295 808437244 /nfs/dbraw/zinc/43/72/44/808437244.db2.gz GVVLEGCVUZTCNX-HOTGVXAUSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](CC)CC(C)C)C1 ZINC001267592991 808453379 /nfs/dbraw/zinc/45/33/79/808453379.db2.gz AJOICTIXMHQQBR-IAGOWNOFSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)C2(CCC)CC2)C1 ZINC001267589102 808453522 /nfs/dbraw/zinc/45/35/22/808453522.db2.gz LEXVDIGCNWQJQV-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@H+](C)CC1CCN(C(=O)C(C)(C)CC(C)C)CC1 ZINC001267604356 808457536 /nfs/dbraw/zinc/45/75/36/808457536.db2.gz NKTZAZYJWMDSAB-UHFFFAOYSA-N 1 1 294.483 3.415 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001267619543 808458340 /nfs/dbraw/zinc/45/83/40/808458340.db2.gz RPCBYOGBHZJSHG-JKSUJKDBSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](CCCCC)C(C)C)C1 ZINC001267619302 808458941 /nfs/dbraw/zinc/45/89/41/808458941.db2.gz GMCRNJRVQFXSJZ-SJORKVTESA-N 1 1 292.467 3.053 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CCCCC)C(C)C)C1 ZINC001267619302 808458947 /nfs/dbraw/zinc/45/89/47/808458947.db2.gz GMCRNJRVQFXSJZ-SJORKVTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@@H](C[N@H+](C)CCCC(C)C)C1 ZINC001267669102 808468496 /nfs/dbraw/zinc/46/84/96/808468496.db2.gz COKCCXRRTCFCSZ-INIZCTEOSA-N 1 1 294.483 3.415 20 30 CGEDMO C[C@@H](Cc1ccc(F)cc1Cl)[N@H+](C)CCC#N ZINC001172865542 808469555 /nfs/dbraw/zinc/46/95/55/808469555.db2.gz OIRRERJUFLEKQF-JTQLQIEISA-N 1 1 254.736 3.256 20 30 CGEDMO C[C@@H](Cc1ccc(F)cc1Cl)[N@@H+](C)CCC#N ZINC001172865542 808469560 /nfs/dbraw/zinc/46/95/60/808469560.db2.gz OIRRERJUFLEKQF-JTQLQIEISA-N 1 1 254.736 3.256 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)C[C@@H](CC)C(C)C)C1 ZINC001267702943 808473207 /nfs/dbraw/zinc/47/32/07/808473207.db2.gz KIJATZIVVVUNIY-DLBZAZTESA-N 1 1 294.483 3.415 20 30 CGEDMO C=CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C(C)C)c1ccccc1 ZINC001267716789 808476900 /nfs/dbraw/zinc/47/69/00/808476900.db2.gz NPDLIEAUQNZDLL-OKZBNKHCSA-N 1 1 298.430 3.040 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC23CCC3)C1 ZINC001267730905 808478208 /nfs/dbraw/zinc/47/82/08/808478208.db2.gz GINDDJFPFWWBMU-JKSUJKDBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001267731272 808478277 /nfs/dbraw/zinc/47/82/77/808478277.db2.gz VWKMCBWRFBROOS-AWEZNQCLSA-N 1 1 292.448 3.041 20 30 CGEDMO C=CC[N@H+](C)CC1CCN(C(=O)[C@H](C)C(CC)CC)CC1 ZINC001267733658 808479183 /nfs/dbraw/zinc/47/91/83/808479183.db2.gz YGISFGZRFMKIJT-OAHLLOKOSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CC(C)(C)C=C)C1 ZINC001267743532 808481196 /nfs/dbraw/zinc/48/11/96/808481196.db2.gz WNHYGVUYXPOKSS-HUUCEWRRSA-N 1 1 278.440 3.134 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2C)C1 ZINC001267767610 808486923 /nfs/dbraw/zinc/48/69/23/808486923.db2.gz ICYAKILTRLXSKU-BZUAXINKSA-N 1 1 280.456 3.146 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)CCCC[C@H](C)CC)C1 ZINC001267787183 808492379 /nfs/dbraw/zinc/49/23/79/808492379.db2.gz XIBWYVHYTXMUPP-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)C[C@@H](C=C)CC)C1 ZINC001267792423 808494201 /nfs/dbraw/zinc/49/42/01/808494201.db2.gz ZOMHWEKNSJRTML-HOTGVXAUSA-N 1 1 278.440 3.088 20 30 CGEDMO C#CC[N@H+](C)[C@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001173088294 808503695 /nfs/dbraw/zinc/50/36/95/808503695.db2.gz QPTPHDJVQRGTCW-LLVKDONJSA-N 1 1 271.282 3.081 20 30 CGEDMO C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)CCC(=C)C)CC2 ZINC001267973398 808523414 /nfs/dbraw/zinc/52/34/14/808523414.db2.gz OOKKGWCTFGLKMN-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)c1cccc(F)c1Cl ZINC001268250057 808568975 /nfs/dbraw/zinc/56/89/75/808568975.db2.gz GSBDIADNNKNFCR-UHFFFAOYSA-N 1 1 298.789 3.059 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)CC1(C=C)CCCCC1 ZINC001268253182 808569127 /nfs/dbraw/zinc/56/91/27/808569127.db2.gz LLXPCIHEXCEPAK-UHFFFAOYSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCOC1CCC([NH2+][C@@H](CCCCC)C(=O)OC)CC1 ZINC001173319798 808609960 /nfs/dbraw/zinc/60/99/60/808609960.db2.gz WLTWRRDFLPOUTR-GPANFISMSA-N 1 1 297.439 3.212 20 30 CGEDMO C=CCOC1CCC([N@@H+]2CCCC[C@H]2CCOC)CC1 ZINC001173321143 808611844 /nfs/dbraw/zinc/61/18/44/808611844.db2.gz XRRJNMHKHITQNM-GTPINHCMSA-N 1 1 281.440 3.391 20 30 CGEDMO C=CCOC1CCC([N@@H+](C)CCc2cccnc2)CC1 ZINC001173327600 808614695 /nfs/dbraw/zinc/61/46/95/808614695.db2.gz PKFZAZGHIKBCCJ-UHFFFAOYSA-N 1 1 274.408 3.070 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)C[C@H](C)c1ccccc1 ZINC001268755528 808624195 /nfs/dbraw/zinc/62/41/95/808624195.db2.gz AKCQCXPARLIFPT-HOTGVXAUSA-N 1 1 288.435 3.193 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccsc1 ZINC001268922337 808636191 /nfs/dbraw/zinc/63/61/91/808636191.db2.gz NEXKUZIDJLVGMG-SNPRPXQTSA-N 1 1 290.432 3.002 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@H+](CC/C=C/CC)C1 ZINC001269056734 808643815 /nfs/dbraw/zinc/64/38/15/808643815.db2.gz JFLYGJVVYDWERW-KJMJWJSPSA-N 1 1 278.440 3.136 20 30 CGEDMO CCOC(=O)[C@H](CC1CCC1)[NH2+]C1CCC(C)(C#N)CC1 ZINC001173588683 808647409 /nfs/dbraw/zinc/64/74/09/808647409.db2.gz OHXKJRUJLHXSFS-CKDBGZEDSA-N 1 1 292.423 3.170 20 30 CGEDMO CCCCCCCCC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2C ZINC001269089516 808647901 /nfs/dbraw/zinc/64/79/01/808647901.db2.gz RBHINSWZRMPBHH-GJZGRUSLSA-N 1 1 266.429 3.042 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001269084822 808648001 /nfs/dbraw/zinc/64/80/01/808648001.db2.gz YSORZFXJPHNETR-VQHPVUNQSA-N 1 1 292.467 3.358 20 30 CGEDMO CC(C)N1CC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)[C@@H](C)C1 ZINC001173591960 808648388 /nfs/dbraw/zinc/64/83/88/808648388.db2.gz AIWNDXRYGWLMQQ-ORBLRFAASA-N 1 1 277.456 3.167 20 30 CGEDMO C[N@@H+](CCc1ccncc1)C1CCC(C)(C#N)CC1 ZINC001173596528 808650130 /nfs/dbraw/zinc/65/01/30/808650130.db2.gz ZQYDXSXLRQEFAH-UHFFFAOYSA-N 1 1 257.381 3.028 20 30 CGEDMO CC(C)(C)OC(=O)[C@H]1CC[N@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173596057 808650191 /nfs/dbraw/zinc/65/01/91/808650191.db2.gz IDFZPYTVZZPWRM-CBCUQQMYSA-N 1 1 292.423 3.122 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001269134077 808650623 /nfs/dbraw/zinc/65/06/23/808650623.db2.gz FHLNTCUMEFLRFI-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001269159594 808651288 /nfs/dbraw/zinc/65/12/88/808651288.db2.gz NIYWTGGLOKHQQT-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)CCC2CCCC2)C1 ZINC001269209254 808655405 /nfs/dbraw/zinc/65/54/05/808655405.db2.gz VVXHRAJCAQFJKQ-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C)oc2C)C1 ZINC001269209002 808656463 /nfs/dbraw/zinc/65/64/63/808656463.db2.gz RWFCQLVNWYWFMG-HNNXBMFYSA-N 1 1 290.407 3.009 20 30 CGEDMO CCOC(=O)C[C@@H]1CC[C@@H]([N@@H+](CCC#N)C2CCCC2)C1 ZINC001173644990 808657994 /nfs/dbraw/zinc/65/79/94/808657994.db2.gz RCTGXSPVYLXDCJ-GDBMZVCRSA-N 1 1 292.423 3.267 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@H]1CC[N@H+]1CCCC1CCC1 ZINC001269284829 808664365 /nfs/dbraw/zinc/66/43/65/808664365.db2.gz GAXPBJBZIKOOHS-SJLPKXTDSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCCCCC[N@@H+](CC)[C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173758429 808670408 /nfs/dbraw/zinc/67/04/08/808670408.db2.gz DZDASMPEEHEICI-HOTGVXAUSA-N 1 1 293.459 3.449 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H](C)C2CCC2)C1 ZINC001269332436 808670935 /nfs/dbraw/zinc/67/09/35/808670935.db2.gz QVYXBHHWZRPPSM-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)C/C=C/c1ccc(C)cc1 ZINC001269356068 808673187 /nfs/dbraw/zinc/67/31/87/808673187.db2.gz MJCPJYDAPSAKIB-WRFKIARRSA-N 1 1 298.430 3.165 20 30 CGEDMO C[N@H+]1CCc2c(C#N)c(Nc3ccc(F)cc3)sc2C1 ZINC001173798294 808674864 /nfs/dbraw/zinc/67/48/64/808674864.db2.gz OVVOGTSXKRYEPO-UHFFFAOYSA-N 1 1 287.363 3.490 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)/C=C(\C)CC)C1 ZINC001269555641 808688099 /nfs/dbraw/zinc/68/80/99/808688099.db2.gz GSODUWODJUVCIR-DDDPSPMYSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@@]2(C1)CCC[N@H+](CC(C)C)C2 ZINC001269693319 808697178 /nfs/dbraw/zinc/69/71/78/808697178.db2.gz STNANQLWACSZLL-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)CCC(C)C)C2)C1 ZINC001269718656 808701242 /nfs/dbraw/zinc/70/12/42/808701242.db2.gz AKCWQHJCOMKVHD-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[NH+]1CC(N(C)C(=O)C(C)(C)CCCCC)C1 ZINC001269893334 808709330 /nfs/dbraw/zinc/70/93/30/808709330.db2.gz PTPIRPSDWNUBAA-UHFFFAOYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@](C)(NC(=O)C2=CCCCCC2)C1 ZINC001270578421 808736134 /nfs/dbraw/zinc/73/61/34/808736134.db2.gz XMDOLLSFAOIMCM-SFHVURJKSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@]1(C)CC[N@H+](C[C@H](F)CC)C1 ZINC001270590682 808737919 /nfs/dbraw/zinc/73/79/19/808737919.db2.gz QEJIWAOPQSKDEZ-NVXWUHKLSA-N 1 1 296.430 3.084 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)CCC2(C)CC2)C1 ZINC001270643373 808741946 /nfs/dbraw/zinc/74/19/46/808741946.db2.gz WWNIQFSXFNHUTM-QGZVFWFLSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)CC(CC)CC)C1 ZINC001270641662 808741988 /nfs/dbraw/zinc/74/19/88/808741988.db2.gz IFLBGDJEWTVEMU-QGZVFWFLSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)C2(F)CCCC2)C1 ZINC001270975133 808758294 /nfs/dbraw/zinc/75/82/94/808758294.db2.gz VQVCICIOLBRALU-MRXNPFEDSA-N 1 1 296.430 3.063 20 30 CGEDMO C=CC[N@H+](C)CCC1CCN(C(=O)[C@@H](C)C2CCC2)CC1 ZINC001271778366 808783647 /nfs/dbraw/zinc/78/36/47/808783647.db2.gz HAVNSWTVNZRFAD-HNNXBMFYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)CCC(C)(C)C)C[C@H]2C1 ZINC001271893027 808787835 /nfs/dbraw/zinc/78/78/35/808787835.db2.gz ZYZZRNGFAIVAHW-HRCADAONSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC(C)(C)CC ZINC001272022736 808793895 /nfs/dbraw/zinc/79/38/95/808793895.db2.gz BMAOXXDPVGHOFH-GJZGRUSLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)CCC(=O)N(C)CC[N@@H+](C)CC1CC2(CCC2)C1 ZINC001272027766 808794027 /nfs/dbraw/zinc/79/40/27/808794027.db2.gz MDBPSCQGZOZGEW-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)CCCC)[C@@H]2C1 ZINC001272054779 808794935 /nfs/dbraw/zinc/79/49/35/808794935.db2.gz YQORQHIDYINKNM-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]2C[N@H+](CCCC)C[C@H]21 ZINC001272085180 808795970 /nfs/dbraw/zinc/79/59/70/808795970.db2.gz IUUIDBZYRWXICH-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@@H](C)[C@H](C)CC ZINC001272138241 808799373 /nfs/dbraw/zinc/79/93/73/808799373.db2.gz SCRXNOOOOWNNEB-CABCVRRESA-N 1 1 268.445 3.025 20 30 CGEDMO C=CC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC=CCC1 ZINC001272662769 808819405 /nfs/dbraw/zinc/81/94/05/808819405.db2.gz LLCUNKFHJIDWTI-MRXNPFEDSA-N 1 1 298.430 3.277 20 30 CGEDMO C=CCCCCCC[N@H+]1CCC[C@@]12CCN(CC=C)C2=O ZINC001272701186 808821739 /nfs/dbraw/zinc/82/17/39/808821739.db2.gz DYHLIOVBRCVTQY-SFHVURJKSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C(C)CN1CC[C@@]2(CC[N@H+](CCC/C=C\CC)C2)C1=O ZINC001273116013 808834403 /nfs/dbraw/zinc/83/44/03/808834403.db2.gz GJKSZMYJYBTRJV-OOFWQKGWSA-N 1 1 290.451 3.233 20 30 CGEDMO N#Cc1cnc(Nc2cc[nH+]c3ccccc23)c(Cl)c1 ZINC001174037597 808835281 /nfs/dbraw/zinc/83/52/81/808835281.db2.gz WSWQFYCEJWCQMF-UHFFFAOYSA-N 1 1 280.718 3.320 20 30 CGEDMO C=C(C)CN1CC[C@@]2(CCC[N@@H+](CCC3CC3)CC2)C1=O ZINC001273163294 808836305 /nfs/dbraw/zinc/83/63/05/808836305.db2.gz KNLMNHYSINUJAS-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CCC[N@H+](CC[C@H](C)F)CC1 ZINC001273445239 808845563 /nfs/dbraw/zinc/84/55/63/808845563.db2.gz JYEGDLBPDKNAEV-LSDHHAIUSA-N 1 1 284.419 3.062 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@]2(CCN(CCCC)C2=O)C1 ZINC001273495197 808849797 /nfs/dbraw/zinc/84/97/97/808849797.db2.gz QDRBDOZUTADAKS-KRWDZBQOSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@@]12CCN(CCCC)C2=O ZINC001273495272 808850325 /nfs/dbraw/zinc/85/03/25/808850325.db2.gz SBPSFFNZDCWHPI-KRWDZBQOSA-N 1 1 278.440 3.210 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)C1CCC=CCC1 ZINC001273591536 808857019 /nfs/dbraw/zinc/85/70/19/808857019.db2.gz VDFZNEXPFTUBSE-UHFFFAOYSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@]2(CN(C3CCCC3)CCO2)C1 ZINC001274964366 808894721 /nfs/dbraw/zinc/89/47/21/808894721.db2.gz KVVFKKZPHYVKRW-SFHVURJKSA-N 1 1 292.467 3.062 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2Cc1scnc1C ZINC001274962451 808895590 /nfs/dbraw/zinc/89/55/90/808895590.db2.gz MHTIUAUEEWNYQC-GASCZTMLSA-N 1 1 291.464 3.066 20 30 CGEDMO C=CCCCCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCCC1 ZINC001274974798 808896892 /nfs/dbraw/zinc/89/68/92/808896892.db2.gz ROZKGBQSLIETAK-CALCHBBNSA-N 1 1 262.441 3.434 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1C[N@@H+](C)CC(C)C ZINC001275144012 808915654 /nfs/dbraw/zinc/91/56/54/808915654.db2.gz SRMAGFBZGHAOBD-NVXWUHKLSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC(C)(C)C1 ZINC001275144216 808915734 /nfs/dbraw/zinc/91/57/34/808915734.db2.gz VZBKFUGAMNHPLM-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC(C)(C)C1 ZINC001275144219 808915970 /nfs/dbraw/zinc/91/59/70/808915970.db2.gz VZBKFUGAMNHPLM-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO Cc1ccc(C[NH+]2CCC3(CCC[N@H+](C)C3)CC2)cc1C#N ZINC001275374077 808933059 /nfs/dbraw/zinc/93/30/59/808933059.db2.gz UBLLHLREYRNKPX-UHFFFAOYSA-N 1 1 297.446 3.175 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)c1ccsc1C ZINC001275551919 808947306 /nfs/dbraw/zinc/94/73/06/808947306.db2.gz MHUBCVRBCVPIGP-CHWSQXEVSA-N 1 1 294.464 3.461 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H](C)C[N@@H+](C)CCCC(C)(C)C ZINC001275621881 808953734 /nfs/dbraw/zinc/95/37/34/808953734.db2.gz JMWDEKRAYTXNHQ-CQSZACIVSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CC[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)C1CCCCC1 ZINC001275671811 808956900 /nfs/dbraw/zinc/95/69/00/808956900.db2.gz DHPBRRNHZXYASK-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)c1ccc(F)cc1Cl ZINC001275712335 808960603 /nfs/dbraw/zinc/96/06/03/808960603.db2.gz GONYEQUMOYAWIJ-NSHDSACASA-N 1 1 298.789 3.105 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)Cc1ccc(C)s1 ZINC001275729814 808961376 /nfs/dbraw/zinc/96/13/76/808961376.db2.gz POAUFZDSVLHXEX-ZDUSSCGKSA-N 1 1 294.464 3.002 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)C(C)=C1CCCC1 ZINC001275801137 808967272 /nfs/dbraw/zinc/96/72/72/808967272.db2.gz LZGHCMYOKDUWTF-CQSZACIVSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)c1occc1C(C)C ZINC001275913005 808975673 /nfs/dbraw/zinc/97/56/73/808975673.db2.gz PWFSQWFELCSDOS-AWEZNQCLSA-N 1 1 292.423 3.419 20 30 CGEDMO C#CCCC[NH+]1CC2(CN(C[C@H](CC)CCCC)C2)C1 ZINC001275976043 808981207 /nfs/dbraw/zinc/98/12/07/808981207.db2.gz XOZXMLMCXXKRGB-QGZVFWFLSA-N 1 1 276.468 3.234 20 30 CGEDMO C=CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)C(C)C)c1ccccc1 ZINC001276000724 808983346 /nfs/dbraw/zinc/98/33/46/808983346.db2.gz BJJBOBYVKDYDCK-NVXWUHKLSA-N 1 1 288.435 3.191 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1CC[N@@H+]1C[C@H](C)CC(C)C ZINC001276860518 809038127 /nfs/dbraw/zinc/03/81/27/809038127.db2.gz KBAITYVVDZFNKP-CVEARBPZSA-N 1 1 280.456 3.215 20 30 CGEDMO N#Cc1ccccc1N1CC[C@H]2[C@@H]1CC[N@H+]2C1CCCC1 ZINC001276953908 809048031 /nfs/dbraw/zinc/04/80/31/809048031.db2.gz SUNJXIAZZMAKNP-ROUUACIJSA-N 1 1 281.403 3.154 20 30 CGEDMO N#Cc1ccc(F)c(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCCC2)c1 ZINC001277018825 809054238 /nfs/dbraw/zinc/05/42/38/809054238.db2.gz QIGCBCVGIHOGPB-IYBDPMFKSA-N 1 1 299.393 3.293 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(CCC)CCC ZINC001277352805 809069980 /nfs/dbraw/zinc/06/99/80/809069980.db2.gz YUDWNYQIBYVOLT-SJORKVTESA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@H+](CC(=O)N(C(C)C)C1CCCC1)C(C)(C)C ZINC001174641124 809114309 /nfs/dbraw/zinc/11/43/09/809114309.db2.gz CFIHCPDCYRMPDC-UHFFFAOYSA-N 1 1 280.456 3.453 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC=C ZINC001278320505 809124751 /nfs/dbraw/zinc/12/47/51/809124751.db2.gz OKBKZEDAJCOHLX-SJORKVTESA-N 1 1 290.451 3.374 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C2(CC=C)CCCC2)[C@@H]1C ZINC001278532468 809140188 /nfs/dbraw/zinc/14/01/88/809140188.db2.gz DUOVAEQSRWBKSQ-HOTGVXAUSA-N 1 1 290.451 3.278 20 30 CGEDMO C#CCCCCCC[N@@H+]1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC001174734399 809146416 /nfs/dbraw/zinc/14/64/16/809146416.db2.gz HCOIQXUKLXJEDZ-HIFRSBDPSA-N 1 1 273.367 3.315 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)CC(C)(C)CC)C1 ZINC001278664316 809150272 /nfs/dbraw/zinc/15/02/72/809150272.db2.gz WUEANVPDYKIHEJ-SFHVURJKSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCCF)C2 ZINC001279228618 809167041 /nfs/dbraw/zinc/16/70/41/809167041.db2.gz AWEOXDRSRQBOOM-MUJYYYPQSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCCC(=O)NCC1=CC[N@@H+](CC/C=C\CC)CC1 ZINC001279511065 809173592 /nfs/dbraw/zinc/17/35/92/809173592.db2.gz ISAAFRBKBUHULQ-ALCCZGGFSA-N 1 1 276.424 3.057 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]2C[N@@H+](C/C=C/Cl)C[C@H]21 ZINC001279618790 809175597 /nfs/dbraw/zinc/17/55/97/809175597.db2.gz OCIBEQRNXIKTEH-VSWCJUERSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)/C(C)=C\CC)[C@@H]2C1 ZINC001279605500 809175978 /nfs/dbraw/zinc/17/59/78/809175978.db2.gz FNVFPDQEHJPSKQ-DKJKAOOUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c(F)c2)C1 ZINC001174891819 809192575 /nfs/dbraw/zinc/19/25/75/809192575.db2.gz XCWXUTFHHCVDBA-NSHDSACASA-N 1 1 296.773 3.316 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)C(C)C)CC1 ZINC001280761735 809198077 /nfs/dbraw/zinc/19/80/77/809198077.db2.gz ZSJTUCFBLNAJAR-HZPDHXFCSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)CCC(F)(F)F ZINC001280802626 809200862 /nfs/dbraw/zinc/20/08/62/809200862.db2.gz LMMIVRCJKGVBIK-UHFFFAOYSA-N 1 1 294.361 3.075 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)CCC)C(C)(C)C1 ZINC001281542864 809213508 /nfs/dbraw/zinc/21/35/08/809213508.db2.gz XPSBDZIFGOCUBT-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)CC(C)C)C(C)(C)C1 ZINC001281572659 809214825 /nfs/dbraw/zinc/21/48/25/809214825.db2.gz ULSWNXUPLCMZOB-CVEARBPZSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@H+](CC[C@H](C)F)CC1(C)C ZINC001281556821 809215222 /nfs/dbraw/zinc/21/52/22/809215222.db2.gz MPUVVTXQHZWNEX-GJZGRUSLSA-N 1 1 298.446 3.308 20 30 CGEDMO C#CCCCCC(=O)N[C@H]1CC[N@H+](CCC(C)C)[C@@H](C)C1 ZINC001281657411 809216946 /nfs/dbraw/zinc/21/69/46/809216946.db2.gz CWTPMVQZEGYEMA-IRXDYDNUSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CC(C)(C)C=C)C[C@H]1C ZINC001281664830 809217158 /nfs/dbraw/zinc/21/71/58/809217158.db2.gz NUDXSNSRWCYDHQ-CABCVRRESA-N 1 1 278.440 3.134 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC1CCN(C(=O)[C@@H](F)C(C)C)CC1 ZINC001281834135 809221338 /nfs/dbraw/zinc/22/13/38/809221338.db2.gz VFZHXCFZAHWVPF-INIZCTEOSA-N 1 1 298.446 3.117 20 30 CGEDMO C=CC[N@H+](CC)CC1CCN(C(=O)C2(CCC)CC2)CC1 ZINC001281841252 809221444 /nfs/dbraw/zinc/22/14/44/809221444.db2.gz XHYUSVYKYIQGAM-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)c1c(C)coc1C ZINC001281931321 809223606 /nfs/dbraw/zinc/22/36/06/809223606.db2.gz ACWLRRKQHKSDNP-HNNXBMFYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CCCCC(=O)NC[C@H](C)[N@@H+](C)Cc1cccc(F)c1 ZINC001282451675 809248209 /nfs/dbraw/zinc/24/82/09/809248209.db2.gz YIZBVVSQKMEQLV-AWEZNQCLSA-N 1 1 292.398 3.119 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)C1(C)C(C)(C)C1(C)C ZINC001282503495 809252348 /nfs/dbraw/zinc/25/23/48/809252348.db2.gz BQTJLPUBZQCYHH-CYBMUJFWSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)C2=CCCC2)C(C)(C)C1 ZINC001282797103 809263295 /nfs/dbraw/zinc/26/32/95/809263295.db2.gz LPGSEFNRCATQBF-GOEBONIOSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[N@H+](CC/C=C/CC)CC1(C)C ZINC001282790591 809263343 /nfs/dbraw/zinc/26/33/43/809263343.db2.gz HSZCCEFRKYUKFY-LOWQCSRCSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@H](NC(=O)C2=CCCC2)C(C)(C)C1 ZINC001282797105 809263566 /nfs/dbraw/zinc/26/35/66/809263566.db2.gz LPGSEFNRCATQBF-ZBFHGGJFSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H]1C[N@H+](CCCC)CC1(C)C ZINC001282823071 809265092 /nfs/dbraw/zinc/26/50/92/809265092.db2.gz OTVMMQXAJSLZHF-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1C[N@@H+](C[C@H](F)CC)CC1(C)C ZINC001282823173 809265106 /nfs/dbraw/zinc/26/51/06/809265106.db2.gz VYMDALLPFYSYEF-KGLIPLIRSA-N 1 1 298.446 3.163 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1C[N@H+](C[C@H](F)CC)CC1(C)C ZINC001282823173 809265108 /nfs/dbraw/zinc/26/51/08/809265108.db2.gz VYMDALLPFYSYEF-KGLIPLIRSA-N 1 1 298.446 3.163 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)[C@](C)(F)CCCC)CC1 ZINC001283316704 809275294 /nfs/dbraw/zinc/27/52/94/809275294.db2.gz FPVYAOQGKMCYHM-QGZVFWFLSA-N 1 1 298.446 3.404 20 30 CGEDMO C=C(C)CC[N@H+](C)C1CCN(C(=O)C2(CC)CCC2)CC1 ZINC001283319541 809275712 /nfs/dbraw/zinc/27/57/12/809275712.db2.gz MQSNDBOBJRQYQU-UHFFFAOYSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)/C=C(\C)C3CC3)CCC[C@@H]12 ZINC001284045662 809293465 /nfs/dbraw/zinc/29/34/65/809293465.db2.gz PDTIFBAWOGJPLC-KVOGJJTBSA-N 1 1 288.435 3.032 20 30 CGEDMO C=CCCC[N@H+]1CC[C@]2(NC(=O)CC3CCC3)CCC[C@H]12 ZINC001284045668 809293849 /nfs/dbraw/zinc/29/38/49/809293849.db2.gz PDWFKGLYKKFYHF-FUHWJXTLSA-N 1 1 290.451 3.256 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)/C=C\C(C)(C)C)CCC[C@@H]12 ZINC001284046645 809294372 /nfs/dbraw/zinc/29/43/72/809294372.db2.gz UURXIMLRKNFTGL-ZKQVRJAKSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)CCC)[C@H]1C ZINC001284133095 809297740 /nfs/dbraw/zinc/29/77/40/809297740.db2.gz UGRQZNPQDBUAFH-HUUCEWRRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H](C)C2CCCC2)CC1 ZINC001284978640 809321645 /nfs/dbraw/zinc/32/16/45/809321645.db2.gz SDZVPCJWXPJNCE-HNNXBMFYSA-N 1 1 290.451 3.137 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1cccc(C#N)c1 ZINC001175531880 809446411 /nfs/dbraw/zinc/44/64/11/809446411.db2.gz MHTZXRFBBNLNGB-UHFFFAOYSA-N 1 1 275.355 3.104 20 30 CGEDMO C=C(CC)C(=O)N[C@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC001296778911 809508297 /nfs/dbraw/zinc/50/82/97/809508297.db2.gz JTDXIVNUAFSLDT-QGZVFWFLSA-N 1 1 288.435 3.225 20 30 CGEDMO CCCCCCCC(=O)N(CCC)[C@@H]1CC[N@@H+](C)C1 ZINC001299832705 809556998 /nfs/dbraw/zinc/55/69/98/809556998.db2.gz DZQOGDMCPSXJSH-OAHLLOKOSA-N 1 1 268.445 3.290 20 30 CGEDMO C[NH+](C)Cc1ccc(Nc2cc(C#N)c(F)cc2O)cc1 ZINC001176291616 809663448 /nfs/dbraw/zinc/66/34/48/809663448.db2.gz HZXLEYPFVRBOOG-UHFFFAOYSA-N 1 1 285.322 3.208 20 30 CGEDMO C#CC[N@H+](CCOCC(F)F)[C@H]1CCCc2ccccc21 ZINC001176452999 809700511 /nfs/dbraw/zinc/70/05/11/809700511.db2.gz OXFJSHCPRXNWFX-INIZCTEOSA-N 1 1 293.357 3.281 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1C[C@@H](O)CC1CCCC1 ZINC001176771661 809759677 /nfs/dbraw/zinc/75/96/77/809759677.db2.gz QKYITMAXRZQLHA-CVEARBPZSA-N 1 1 251.414 3.358 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCCO2)ccc1F ZINC001176925614 809770242 /nfs/dbraw/zinc/77/02/42/809770242.db2.gz CIJCCYLNKPFKGY-IAGOWNOFSA-N 1 1 288.366 3.231 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)C[C@](C)(OC)C1CC1 ZINC001180030760 809968753 /nfs/dbraw/zinc/96/87/53/809968753.db2.gz OOPWVNUVMYWWSP-INIZCTEOSA-N 1 1 266.429 3.453 20 30 CGEDMO C[N@H+](Cc1cc2ccccc2o1)Cc1cccc(C#N)n1 ZINC001180052803 809969781 /nfs/dbraw/zinc/96/97/81/809969781.db2.gz VOEBTACQQLEIPU-UHFFFAOYSA-N 1 1 277.327 3.331 20 30 CGEDMO C[N@@H+](Cc1cc2ccccc2o1)Cc1cccc(C#N)n1 ZINC001180052803 809969786 /nfs/dbraw/zinc/96/97/86/809969786.db2.gz VOEBTACQQLEIPU-UHFFFAOYSA-N 1 1 277.327 3.331 20 30 CGEDMO C#CC[N@H+](Cc1nc2ccc(Cl)cc2n1C)C(C)C ZINC001184115294 810177744 /nfs/dbraw/zinc/17/77/44/810177744.db2.gz CFSCFRFSBPVYQA-UHFFFAOYSA-N 1 1 275.783 3.070 20 30 CGEDMO C#CC[N@@H+](Cc1nc2ccc(Cl)cc2n1C)C(C)C ZINC001184115294 810177745 /nfs/dbraw/zinc/17/77/45/810177745.db2.gz CFSCFRFSBPVYQA-UHFFFAOYSA-N 1 1 275.783 3.070 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C(CC)CC)[C@@H]2C1 ZINC001188396365 810479780 /nfs/dbraw/zinc/47/97/80/810479780.db2.gz KBAIMEAKRWDFCH-HYVNUMGLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(C)s2)C1 ZINC001188652564 810498683 /nfs/dbraw/zinc/49/86/83/810498683.db2.gz OECVGHJFERJHNX-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC001188676582 810503677 /nfs/dbraw/zinc/50/36/77/810503677.db2.gz SLODKARCZHXEBI-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc[nH]2)C1 ZINC001188853352 810519358 /nfs/dbraw/zinc/51/93/58/810519358.db2.gz UDEYKGZKSXKBIH-HNNXBMFYSA-N 1 1 291.439 3.131 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)CCSCC)C1 ZINC001189092498 810542319 /nfs/dbraw/zinc/54/23/19/810542319.db2.gz FVXHJYLMMLDCHH-CABCVRRESA-N 1 1 298.496 3.017 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C=C2CCCCC2)C1 ZINC001189151599 810543748 /nfs/dbraw/zinc/54/37/48/810543748.db2.gz NRIVKMFTHTWHRK-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)CCC)C1 ZINC001189288797 810555212 /nfs/dbraw/zinc/55/52/12/810555212.db2.gz KKRQFTIKALEVJL-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC(=O)N1CC[C@@H]([N@H+](C)CCCCCCC)C1 ZINC001189317662 810556979 /nfs/dbraw/zinc/55/69/79/810556979.db2.gz AIKHMBKRCNFXSE-MRXNPFEDSA-N 1 1 280.456 3.456 20 30 CGEDMO C=CCCC(=O)N1CC[C@@H]([N@H+](C)CCCCCC)C1 ZINC001189317680 810557719 /nfs/dbraw/zinc/55/77/19/810557719.db2.gz AWARNCVGCDSWIS-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO C#CCCCCC(=O)N1CC[C@H]([N@H+](C)CCCC(C)C)C1 ZINC001189743567 810587427 /nfs/dbraw/zinc/58/74/27/810587427.db2.gz GWALIGQFYSJUNP-KRWDZBQOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)Cc1ccc(C(=O)N[C@]2(C)CCC[N@H+](C)C2)cc1 ZINC001190238589 810613564 /nfs/dbraw/zinc/61/35/64/810613564.db2.gz BQISMJBJQUDTKN-GOSISDBHSA-N 1 1 286.419 3.019 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@]2(C)CC=CCC2)C1 ZINC001190336644 810619619 /nfs/dbraw/zinc/61/96/19/810619619.db2.gz IXQVYIJCBPJNIH-WMZOPIPTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCCCC[N@H+](C)CC1(CC(=O)OC)CC1 ZINC001191131867 810681208 /nfs/dbraw/zinc/68/12/08/810681208.db2.gz ILBWBNSLYHRNIC-UHFFFAOYSA-N 1 1 253.386 3.008 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)c2cc(C)sc2C)C1 ZINC001191196797 810688238 /nfs/dbraw/zinc/68/82/38/810688238.db2.gz AHQFGMLOLVWTMX-AWEZNQCLSA-N 1 1 292.448 3.087 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)CC2(C)CCCCC2)C1 ZINC001191275530 810696809 /nfs/dbraw/zinc/69/68/09/810696809.db2.gz RUDQALWGXPEQLM-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)C[C@H](CC)CCCC)C1 ZINC001191423191 810713083 /nfs/dbraw/zinc/71/30/83/810713083.db2.gz OKXZRCHOHGUBIH-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H](CC)CCCC)C1 ZINC001191423194 810713198 /nfs/dbraw/zinc/71/31/98/810713198.db2.gz OKXZRCHOHGUBIH-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)C(=C)C)C1 ZINC001191683208 810729969 /nfs/dbraw/zinc/72/99/69/810729969.db2.gz DBXTWQOUSUFQJN-HNNXBMFYSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](F)C(C)C)C1 ZINC001191819564 810745888 /nfs/dbraw/zinc/74/58/88/810745888.db2.gz QCUXGVBRQVRGST-JKSUJKDBSA-N 1 1 298.446 3.260 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)C2CC2)C1 ZINC001191868352 810755027 /nfs/dbraw/zinc/75/50/27/810755027.db2.gz SABKMMQEKPRLPP-GDBMZVCRSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]([N@@H+](C)CCC(C)(C)C)C1 ZINC001192093768 810768279 /nfs/dbraw/zinc/76/82/79/810768279.db2.gz MOCFQYYAFLIDFL-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCCC(=O)N1CC[C@@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC001192074082 810768460 /nfs/dbraw/zinc/76/84/60/810768460.db2.gz YZEWBGODSBAWDE-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C1CCC(C(=O)N2CC[C@H]([N@H+](C)C[C@@H](C)CC)C2)CC1 ZINC001192180866 810773679 /nfs/dbraw/zinc/77/36/79/810773679.db2.gz NTRCUYWAGFUSJI-YOEHRIQHSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC1(C(=O)N2CC[C@H]([N@@H+](C)C/C=C/Cl)C2)CC1 ZINC001192217207 810776881 /nfs/dbraw/zinc/77/68/81/810776881.db2.gz DETQWUYBUNTSRH-SEIPJRMCSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC[C@H]([N@H+](C)CCCCCC)C2)C1 ZINC001192256665 810781717 /nfs/dbraw/zinc/78/17/17/810781717.db2.gz IYRQCYSRQBFCDB-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@H]([N@@H+](C)CCCCCF)C1 ZINC001192586956 810808506 /nfs/dbraw/zinc/80/85/06/810808506.db2.gz YEFUQBZRZHTTKY-HNNXBMFYSA-N 1 1 298.446 3.261 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CCC)C(C)C)C1 ZINC001192610156 810810165 /nfs/dbraw/zinc/81/01/65/810810165.db2.gz AITJWLXOBMWIEJ-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC1(CC(=O)N2CC[C@@H]([N@H+](C)CCF)C2)CCCCC1 ZINC001192827872 810822522 /nfs/dbraw/zinc/82/25/22/810822522.db2.gz YUOWQSSIEPBZCR-OAHLLOKOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CC1(CC(=O)N2CC[C@@H]([N@@H+](C)CCF)C2)CCCCC1 ZINC001192827872 810822532 /nfs/dbraw/zinc/82/25/32/810822532.db2.gz YUOWQSSIEPBZCR-OAHLLOKOSA-N 1 1 296.430 3.015 20 30 CGEDMO C[C@H]([NH2+]Cc1cncc(C#N)c1)c1ccc(F)cc1F ZINC001192824651 810822624 /nfs/dbraw/zinc/82/26/24/810822624.db2.gz RXPROYZOYDIGJY-JTQLQIEISA-N 1 1 273.286 3.082 20 30 CGEDMO CCCCCCC[C@H](C)NC(=O)N1CC[NH+](CC)CC1 ZINC001192919900 810828080 /nfs/dbraw/zinc/82/80/80/810828080.db2.gz IUGHETVKYZPERE-HNNXBMFYSA-N 1 1 283.460 3.083 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@](C)(CC)CCC)C1 ZINC001193077914 810852932 /nfs/dbraw/zinc/85/29/32/810852932.db2.gz OPYGVGLKTJYFDW-WBVHZDCISA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C2(F)CCCCC2)C1 ZINC001193244058 810865533 /nfs/dbraw/zinc/86/55/33/810865533.db2.gz MECBJKPFGUCOBD-HNNXBMFYSA-N 1 1 296.430 3.158 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001193432072 810887773 /nfs/dbraw/zinc/88/77/73/810887773.db2.gz GSDMWCKGKLXFKZ-LSDHHAIUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](CC)C(C)C)C1 ZINC001193560030 810908961 /nfs/dbraw/zinc/90/89/61/810908961.db2.gz NYJFNTXBRVFJFH-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC001193659585 810930494 /nfs/dbraw/zinc/93/04/94/810930494.db2.gz CBPGTUZTAXGATQ-CABCVRRESA-N 1 1 268.445 3.323 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC001193659591 810930627 /nfs/dbraw/zinc/93/06/27/810930627.db2.gz CBPGTUZTAXGATQ-LSDHHAIUSA-N 1 1 268.445 3.323 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)C[C@@H]1CCCC[C@H]1C ZINC001193913500 810978956 /nfs/dbraw/zinc/97/89/56/810978956.db2.gz KBDWVJVBJRNQET-CVEARBPZSA-N 1 1 252.446 3.252 20 30 CGEDMO CCCCCCCOC(=O)N[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC001194020461 811004018 /nfs/dbraw/zinc/00/40/18/811004018.db2.gz YXPQUXPHGVPEPR-ZIAGYGMSSA-N 1 1 270.417 3.023 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)CC(C)(C)C)C1 ZINC001194190441 811032334 /nfs/dbraw/zinc/03/23/34/811032334.db2.gz DTHILYAMHLMUGI-AWEZNQCLSA-N 1 1 280.456 3.168 20 30 CGEDMO C#CCCCCCC[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C ZINC001194961893 811176200 /nfs/dbraw/zinc/17/62/00/811176200.db2.gz AVYXLIWEDBQJBC-HNNXBMFYSA-N 1 1 281.440 3.480 20 30 CGEDMO C=C(C)CC[N@H+]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC001195115734 811205826 /nfs/dbraw/zinc/20/58/26/811205826.db2.gz WKFVWENKBOPRJT-MRXNPFEDSA-N 1 1 258.409 3.159 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](CCO[C@H]2CCCC[C@H]2C)C1 ZINC001195463881 811259078 /nfs/dbraw/zinc/25/90/78/811259078.db2.gz OUISYHGRMOWDGC-ZACQAIPSSA-N 1 1 263.425 3.317 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C[C@H](C)CC)CC1 ZINC001195666739 811276120 /nfs/dbraw/zinc/27/61/20/811276120.db2.gz CHMSLAVOHAYBDF-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)N1CC[N@@H+](C)[C@@H](C(C)(C)C)C1 ZINC001195671054 811278634 /nfs/dbraw/zinc/27/86/34/811278634.db2.gz XDMYPIMUSZUWGI-RHSMWYFYSA-N 1 1 285.435 3.281 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCN(C)[C@@H](C(C)(C)C)C1 ZINC001195671054 811278638 /nfs/dbraw/zinc/27/86/38/811278638.db2.gz XDMYPIMUSZUWGI-RHSMWYFYSA-N 1 1 285.435 3.281 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCN(C)[C@@H](C(C)(C)C)C1 ZINC001195671054 811278641 /nfs/dbraw/zinc/27/86/41/811278641.db2.gz XDMYPIMUSZUWGI-RHSMWYFYSA-N 1 1 285.435 3.281 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)c2ccsc2C)CC1 ZINC001195747710 811284824 /nfs/dbraw/zinc/28/48/24/811284824.db2.gz UAHZYGWRRLVYEP-UHFFFAOYSA-N 1 1 292.448 3.171 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](CCOc2ccccc2OC)C1 ZINC001195947758 811304195 /nfs/dbraw/zinc/30/41/95/811304195.db2.gz XEXUUEUPQPNVOL-HNNXBMFYSA-N 1 1 275.392 3.362 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[N@@H+](CCC2CCCC2)CC1 ZINC001196018137 811310909 /nfs/dbraw/zinc/31/09/09/811310909.db2.gz KLLJMSHIRBCTQJ-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)CCC(=C)C)CC1 ZINC001196018058 811311119 /nfs/dbraw/zinc/31/11/19/811311119.db2.gz ICCYVFLBAAUKKJ-MRXNPFEDSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)CCC(=C)C)CC1 ZINC001196018056 811312045 /nfs/dbraw/zinc/31/20/45/811312045.db2.gz ICCYVFLBAAUKKJ-INIZCTEOSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCCCC(=O)N1CCC[N@@H+](CCCC2CCC2)CC1 ZINC001196999861 811389608 /nfs/dbraw/zinc/38/96/08/811389608.db2.gz ALCXZLAKMVPDHW-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCN(C(=O)C2(CC)CC2)CC1 ZINC001197055747 811394098 /nfs/dbraw/zinc/39/40/98/811394098.db2.gz YDPRJLPLABHMJH-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO COCC#CC[NH2+][C@H](C)c1cc(Cl)cc(Cl)c1F ZINC001197610997 811435858 /nfs/dbraw/zinc/43/58/58/811435858.db2.gz LDMPRBUMRUUNSV-SECBINFHSA-N 1 1 290.165 3.433 20 30 CGEDMO C#CC[C@@H]1CC[N@H+]([C@H](CC)C(=O)Nc2ccc(C)cc2)C1 ZINC001197701604 811446773 /nfs/dbraw/zinc/44/67/73/811446773.db2.gz MAYJSMCLTRGHQH-NVXWUHKLSA-N 1 1 284.403 3.057 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]2CC[C@@]21CNC(=O)OC(C)(C)C ZINC001198188359 811483540 /nfs/dbraw/zinc/48/35/40/811483540.db2.gz YYZCIZQUNVWNNQ-WMLDXEAASA-N 1 1 294.439 3.332 20 30 CGEDMO C=CCCCCC[N@H+]1CCOC[C@H]1C[C@@H]1CCCO1 ZINC001198242066 811485862 /nfs/dbraw/zinc/48/58/62/811485862.db2.gz QGVFHBZINXUBNW-CVEARBPZSA-N 1 1 267.413 3.003 20 30 CGEDMO CCn1cnc(Cl)c1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC001199823429 811600627 /nfs/dbraw/zinc/60/06/27/811600627.db2.gz RIUINZKFCBONGT-LLVKDONJSA-N 1 1 288.782 3.279 20 30 CGEDMO C[N@@H+]1CCc2c(sc(N=C3CCSCC3)c2C#N)C1 ZINC001201326475 811812682 /nfs/dbraw/zinc/81/26/82/811812682.db2.gz IZABMAMABJHTMN-UHFFFAOYSA-N 1 1 291.445 3.040 20 30 CGEDMO C[N@H+]1CCc2c(sc(N=C3CCSCC3)c2C#N)C1 ZINC001201326475 811812697 /nfs/dbraw/zinc/81/26/97/811812697.db2.gz IZABMAMABJHTMN-UHFFFAOYSA-N 1 1 291.445 3.040 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@@H+](CC3CCCCC3)C2)C1=O ZINC001201390474 811825310 /nfs/dbraw/zinc/82/53/10/811825310.db2.gz VVPFLDQAFFWMFY-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO CCC[C@H](C)C[NH+]1CC(Oc2ccccc2C#N)C1 ZINC001201563127 811905171 /nfs/dbraw/zinc/90/51/71/811905171.db2.gz KOHBDKIHOFDTOS-ZDUSSCGKSA-N 1 1 258.365 3.057 20 30 CGEDMO CCCCCCCCCCCC[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC001201631686 811926247 /nfs/dbraw/zinc/92/62/47/811926247.db2.gz XOAUJGAXBKIAEY-MRXNPFEDSA-N 1 1 298.471 3.093 20 30 CGEDMO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](CCCCC)C2 ZINC001201734496 811950966 /nfs/dbraw/zinc/95/09/66/811950966.db2.gz CPEDZNHERPQWDX-CVEARBPZSA-N 1 1 267.413 3.003 20 30 CGEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](CCCCC)C2 ZINC001201734499 811951479 /nfs/dbraw/zinc/95/14/79/811951479.db2.gz CPEDZNHERPQWDX-JKSUJKDBSA-N 1 1 267.413 3.003 20 30 CGEDMO CCCCCCC[N@H+]1CCCC[C@@]12CC(=O)N(C)C2 ZINC001201762573 811963633 /nfs/dbraw/zinc/96/36/33/811963633.db2.gz PXUCAFQHIBFGGR-INIZCTEOSA-N 1 1 266.429 3.044 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](CCC(=O)OC)C1 ZINC001201787514 811964926 /nfs/dbraw/zinc/96/49/26/811964926.db2.gz DKQMFSIHFZHFDV-AWEZNQCLSA-N 1 1 255.402 3.232 20 30 CGEDMO CCCCCCC[N@@H+](C(C)C)[C@@H]1CCN(C(C)=O)C1 ZINC001201797680 811966274 /nfs/dbraw/zinc/96/62/74/811966274.db2.gz COIXRHNTIXSHNR-MRXNPFEDSA-N 1 1 268.445 3.288 20 30 CGEDMO CCCCCCCCN1CCC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC001201826311 811967635 /nfs/dbraw/zinc/96/76/35/811967635.db2.gz RLDRGFSPHWPGEE-HZPDHXFCSA-N 1 1 252.446 3.373 20 30 CGEDMO CCCCCCCC[N@H+]1CCC[C@@H](NC(=O)CC)C1 ZINC001201840217 811969429 /nfs/dbraw/zinc/96/94/29/811969429.db2.gz PIQLYUUCSKVQQT-OAHLLOKOSA-N 1 1 268.445 3.338 20 30 CGEDMO CCCCCCCCCC[N@H+]1CC[C@@H](O)[C@@](C)(CO)C1 ZINC001201853001 811972224 /nfs/dbraw/zinc/97/22/24/811972224.db2.gz XAVMCJQVQNPZEG-IAGOWNOFSA-N 1 1 285.472 3.192 20 30 CGEDMO CCCCCCCCCC[N@H+]1CC[C@H]2CNC(=O)[C@H]2C1 ZINC001201875381 811974483 /nfs/dbraw/zinc/97/44/83/811974483.db2.gz XNSMWWRNDKTSHL-HOTGVXAUSA-N 1 1 280.456 3.195 20 30 CGEDMO CN(CC[N@H+](CCC#N)C1CCCC1)C(=O)OC(C)(C)C ZINC001202995732 812215845 /nfs/dbraw/zinc/21/58/45/812215845.db2.gz QAGDUSVTQLAQQE-UHFFFAOYSA-N 1 1 295.427 3.012 20 30 CGEDMO CN(CC[N@@H+](CCC#N)C1CCCC1)C(=O)OC(C)(C)C ZINC001202995732 812215849 /nfs/dbraw/zinc/21/58/49/812215849.db2.gz QAGDUSVTQLAQQE-UHFFFAOYSA-N 1 1 295.427 3.012 20 30 CGEDMO Cn1cccc1C[NH+]1CCC(C#N)(c2ccccc2F)CC1 ZINC001203271103 812287832 /nfs/dbraw/zinc/28/78/32/812287832.db2.gz YTMVDYUMKPMFIF-UHFFFAOYSA-N 1 1 297.377 3.222 20 30 CGEDMO COc1ccccc1C[N@@H+]1CCc2cc(C#N)ccc2C1 ZINC001203425679 812353867 /nfs/dbraw/zinc/35/38/67/812353867.db2.gz QAEMIUHTALFKJI-UHFFFAOYSA-N 1 1 278.355 3.125 20 30 CGEDMO COc1ccccc1C[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001203425679 812353874 /nfs/dbraw/zinc/35/38/74/812353874.db2.gz QAEMIUHTALFKJI-UHFFFAOYSA-N 1 1 278.355 3.125 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2Cc2ccccn2)cc1 ZINC001203905536 812487923 /nfs/dbraw/zinc/48/79/23/812487923.db2.gz RVVISOHPLVIZKZ-GOSISDBHSA-N 1 1 277.371 3.160 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccc1O ZINC001203904896 812488643 /nfs/dbraw/zinc/48/86/43/812488643.db2.gz IEVQFOVEBFBOFZ-UHFFFAOYSA-N 1 1 266.344 3.286 20 30 CGEDMO C=CC[NH+]1CCN(Cc2ccc3ccccc3c2)CC1 ZINC001204000915 812515783 /nfs/dbraw/zinc/51/57/83/812515783.db2.gz VTAWIECPHQFKSO-UHFFFAOYSA-N 1 1 266.388 3.143 20 30 CGEDMO Cc1ccc(C[N@H+]2CCc3cc(C#N)ccc3C2)s1 ZINC001204029951 812526198 /nfs/dbraw/zinc/52/61/98/812526198.db2.gz OAZQQUPRJSHBBH-UHFFFAOYSA-N 1 1 268.385 3.487 20 30 CGEDMO COc1cc(C[N@H+](CCC#N)C2CCCC2)ccc1O ZINC001204116461 812551126 /nfs/dbraw/zinc/55/11/26/812551126.db2.gz OKCUGBJHFKKDJO-UHFFFAOYSA-N 1 1 274.364 3.059 20 30 CGEDMO COc1cc(C[N@@H+](CCC#N)C2CCCC2)ccc1O ZINC001204116461 812551130 /nfs/dbraw/zinc/55/11/30/812551130.db2.gz OKCUGBJHFKKDJO-UHFFFAOYSA-N 1 1 274.364 3.059 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)c(F)c1 ZINC001204228775 812577935 /nfs/dbraw/zinc/57/79/35/812577935.db2.gz YDTKNXYDBJFAKH-XYYAHUGASA-N 1 1 262.303 3.231 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)c(F)c1 ZINC001204228775 812577941 /nfs/dbraw/zinc/57/79/41/812577941.db2.gz YDTKNXYDBJFAKH-XYYAHUGASA-N 1 1 262.303 3.231 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204328868 812614742 /nfs/dbraw/zinc/61/47/42/812614742.db2.gz REOLAZJVOQXKMU-QGZVFWFLSA-N 1 1 269.392 3.022 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204328868 812614745 /nfs/dbraw/zinc/61/47/45/812614745.db2.gz REOLAZJVOQXKMU-QGZVFWFLSA-N 1 1 269.392 3.022 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CC[C@](CF)(C(F)(F)F)C1 ZINC001204368723 812622679 /nfs/dbraw/zinc/62/26/79/812622679.db2.gz VGEAKCALULBDMM-CYBMUJFWSA-N 1 1 286.272 3.282 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CC[C@](CF)(C(F)(F)F)C1 ZINC001204368723 812622682 /nfs/dbraw/zinc/62/26/82/812622682.db2.gz VGEAKCALULBDMM-CYBMUJFWSA-N 1 1 286.272 3.282 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001204370318 812623177 /nfs/dbraw/zinc/62/31/77/812623177.db2.gz YHMZCJFBFRZXOO-SFHVURJKSA-N 1 1 296.345 3.351 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001204370318 812623183 /nfs/dbraw/zinc/62/31/83/812623183.db2.gz YHMZCJFBFRZXOO-SFHVURJKSA-N 1 1 296.345 3.351 20 30 CGEDMO CC(=O)n1cc(C[N@H+]2CCC[C@@H](CC#N)C2)c2ccccc21 ZINC001204409415 812630406 /nfs/dbraw/zinc/63/04/06/812630406.db2.gz WLHSUDNSHJRLFQ-HNNXBMFYSA-N 1 1 295.386 3.427 20 30 CGEDMO C#CC[N@@H+](Cc1ccnn1CC1CCC1)C1CCCCC1 ZINC001204498108 812657966 /nfs/dbraw/zinc/65/79/66/812657966.db2.gz XNRUOEVUPHZVMW-UHFFFAOYSA-N 1 1 285.435 3.451 20 30 CGEDMO COc1ccc2cc(C[N@@H+]3CC[C@H](C#N)C3)ccc2c1 ZINC001204517640 812665365 /nfs/dbraw/zinc/66/53/65/812665365.db2.gz PNTOLKRQLSUVSG-CQSZACIVSA-N 1 1 266.344 3.194 20 30 CGEDMO COc1ccc2cc(C[N@H+]3CC[C@H](C#N)C3)ccc2c1 ZINC001204517640 812665368 /nfs/dbraw/zinc/66/53/68/812665368.db2.gz PNTOLKRQLSUVSG-CQSZACIVSA-N 1 1 266.344 3.194 20 30 CGEDMO COc1cc[nH+]c(Nc2c(C)cc(C#N)cc2C)c1 ZINC001215645676 815550472 /nfs/dbraw/zinc/55/04/72/815550472.db2.gz UZSKODLOGPFZMS-UHFFFAOYSA-N 1 1 253.305 3.322 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@H](F)C(F)(F)CC2)ccc1F ZINC001205455696 812986818 /nfs/dbraw/zinc/98/68/18/812986818.db2.gz QCYXFAGKRNVBEJ-ZDUSSCGKSA-N 1 1 286.272 3.267 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CC[C@H](F)C(F)(F)CC2)ccc1F ZINC001205455696 812986824 /nfs/dbraw/zinc/98/68/24/812986824.db2.gz QCYXFAGKRNVBEJ-ZDUSSCGKSA-N 1 1 286.272 3.267 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1cc(Cl)ccc1OCC ZINC001205569142 813005641 /nfs/dbraw/zinc/00/56/41/813005641.db2.gz QMNRZZRNWGLZHJ-NSHDSACASA-N 1 1 251.757 3.192 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1cc(Cl)ccc1OCC ZINC001205569142 813005647 /nfs/dbraw/zinc/00/56/47/813005647.db2.gz QMNRZZRNWGLZHJ-NSHDSACASA-N 1 1 251.757 3.192 20 30 CGEDMO C=C(C)COc1ccccc1CN1CCCC[C@H](C[NH3+])C1 ZINC001206615157 813376035 /nfs/dbraw/zinc/37/60/35/813376035.db2.gz DGWGIJMTJRONLP-MRXNPFEDSA-N 1 1 288.435 3.202 20 30 CGEDMO C#Cc1ccc(Nc2c[nH+]c(N(C)C)cc2C)cc1 ZINC001206748184 813418416 /nfs/dbraw/zinc/41/84/16/813418416.db2.gz CRSIQABKKAHKEP-UHFFFAOYSA-N 1 1 251.333 3.181 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1Nc1c(F)ccc(F)c1C#N ZINC001206754901 813422495 /nfs/dbraw/zinc/42/24/95/813422495.db2.gz RGUODQAJQWZEAA-UHFFFAOYSA-N 1 1 288.301 3.350 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)/C=C(\C)CC)C1 ZINC001206936053 813458011 /nfs/dbraw/zinc/45/80/11/813458011.db2.gz IOUZITLAJNXYFC-BYOQMAPMSA-N 1 1 278.440 3.134 20 30 CGEDMO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[C@H](C)CCC)C1 ZINC001207120055 813489475 /nfs/dbraw/zinc/48/94/75/813489475.db2.gz IOWBPBVJHZMXCL-BRWVUGGUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCN(CC[N@H+]1CCC12CCCC2)C(=O)OC(C)(C)C ZINC001207199517 813515894 /nfs/dbraw/zinc/51/58/94/813515894.db2.gz LQGTZXVYYIPZJP-UHFFFAOYSA-N 1 1 294.439 3.428 20 30 CGEDMO C=CCOC(=O)N[C@@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC001207260136 813523657 /nfs/dbraw/zinc/52/36/57/813523657.db2.gz RDQYTXRWVSPVRZ-MRXNPFEDSA-N 1 1 294.439 3.333 20 30 CGEDMO CCCCCCCC[N@@H+](C)CC(C)(C)N1CCOCC1 ZINC001207303221 813537628 /nfs/dbraw/zinc/53/76/28/813537628.db2.gz BDQSEWJMPYUKCC-UHFFFAOYSA-N 1 1 284.488 3.390 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@@H+](CCc1ccccc1F)CC2 ZINC001207497078 813577418 /nfs/dbraw/zinc/57/74/18/813577418.db2.gz VKLSJANCNWGBAF-UHFFFAOYSA-N 1 1 280.346 3.298 20 30 CGEDMO C[C@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@@H](C#N)C1 ZINC001207678084 813632680 /nfs/dbraw/zinc/63/26/80/813632680.db2.gz DIGPAPDFIFMLSP-CABCVRRESA-N 1 1 266.429 3.189 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](CC)CCCC)C1 ZINC001208036764 813686969 /nfs/dbraw/zinc/68/69/69/813686969.db2.gz YRLJTUGGQYBECQ-BZUAXINKSA-N 1 1 280.456 3.215 20 30 CGEDMO CCCCCCC/C=C/CN1CCN([C@H]2CCOC2)CC1 ZINC001208119588 813697868 /nfs/dbraw/zinc/69/78/68/813697868.db2.gz FYJNGDDPGBOYNZ-BLGFXRMMSA-N 1 1 294.483 3.310 20 30 CGEDMO CCCCCCC/C=C/C[NH+]1CCN([C@H]2CCOC2)CC1 ZINC001208119588 813697871 /nfs/dbraw/zinc/69/78/71/813697871.db2.gz FYJNGDDPGBOYNZ-BLGFXRMMSA-N 1 1 294.483 3.310 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)CC1 ZINC001208170099 813723910 /nfs/dbraw/zinc/72/39/10/813723910.db2.gz CKUANLFBUQHCIO-ZACQAIPSSA-N 1 1 261.409 3.257 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCc3ccc(=O)[nH]c3CC2)CC1 ZINC001208176332 813727879 /nfs/dbraw/zinc/72/78/79/813727879.db2.gz BTQOKRBEMGHHDA-MRXNPFEDSA-N 1 1 298.430 3.490 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](F)CC)C1 ZINC001208332311 813755504 /nfs/dbraw/zinc/75/55/04/813755504.db2.gz FBEIMOPTXNHHBH-QLFBSQMISA-N 1 1 286.435 3.141 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1C ZINC001208452629 813762136 /nfs/dbraw/zinc/76/21/36/813762136.db2.gz VBSZQZBUBVFEBQ-NVXWUHKLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2C[N@H+](CCC(=C)C)C[C@H]2C)CCC1 ZINC001208517189 813765531 /nfs/dbraw/zinc/76/55/31/813765531.db2.gz BKYFPLFYQPITHE-HZPDHXFCSA-N 1 1 290.451 3.136 20 30 CGEDMO COC(C)(C)[C@H]1CCC[N@H+]1CCCc1cccc(C#N)c1 ZINC001208853314 813865839 /nfs/dbraw/zinc/86/58/39/813865839.db2.gz IDLLXDFDRANGOW-QGZVFWFLSA-N 1 1 286.419 3.380 20 30 CGEDMO N#Cc1cccc(CCC[N@@H+]2CC[C@H](C(F)(F)F)C2)c1 ZINC001208853878 813867006 /nfs/dbraw/zinc/86/70/06/813867006.db2.gz ZTONPVZOTMKVID-AWEZNQCLSA-N 1 1 282.309 3.375 20 30 CGEDMO N#Cc1ccc(CCC[N@@H+]2CC[C@]3(CC3(F)F)C2)cc1 ZINC001208858117 813868971 /nfs/dbraw/zinc/86/89/71/813868971.db2.gz ISQUJTZSRCLSPS-HNNXBMFYSA-N 1 1 276.330 3.222 20 30 CGEDMO C[N@@H+](CCc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC001208920794 813900335 /nfs/dbraw/zinc/90/03/35/813900335.db2.gz PBIOYVNAQMQXDQ-UHFFFAOYSA-N 1 1 268.335 3.372 20 30 CGEDMO N#Cc1ccc(CC[N@@H+]2Cc3ccc(F)cc3C2)cc1 ZINC001208926202 813901469 /nfs/dbraw/zinc/90/14/69/813901469.db2.gz JGOZZGVXUCESTH-UHFFFAOYSA-N 1 1 266.319 3.256 20 30 CGEDMO N#Cc1ccc(CC[N@@H+](Cc2ccco2)C2CC2)cc1 ZINC001208929226 813904164 /nfs/dbraw/zinc/90/41/64/813904164.db2.gz OGLSUKYLCBCGTB-UHFFFAOYSA-N 1 1 266.344 3.358 20 30 CGEDMO C=CCN(CC=C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208948579 813905927 /nfs/dbraw/zinc/90/59/27/813905927.db2.gz HAAVHFAWNNZTKE-SFHVURJKSA-N 1 1 270.420 3.183 20 30 CGEDMO C=CC[NH+](CC=C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001208948579 813905948 /nfs/dbraw/zinc/90/59/48/813905948.db2.gz HAAVHFAWNNZTKE-SFHVURJKSA-N 1 1 270.420 3.183 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](C[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001208951316 813909072 /nfs/dbraw/zinc/90/90/72/813909072.db2.gz BVAHJBUYMNABMZ-IEBWSBKVSA-N 1 1 297.446 3.134 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](C[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001208951316 813909079 /nfs/dbraw/zinc/90/90/79/813909079.db2.gz BVAHJBUYMNABMZ-IEBWSBKVSA-N 1 1 297.446 3.134 20 30 CGEDMO N#C[C@@H]1CCCN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208951316 813909086 /nfs/dbraw/zinc/90/90/86/813909086.db2.gz BVAHJBUYMNABMZ-IEBWSBKVSA-N 1 1 297.446 3.134 20 30 CGEDMO N#C[C@@H]1CCCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208951316 813909093 /nfs/dbraw/zinc/90/90/93/813909093.db2.gz BVAHJBUYMNABMZ-IEBWSBKVSA-N 1 1 297.446 3.134 20 30 CGEDMO N#C[C@@H]1CC[N@@H+](CCc2ccc(C(F)(F)F)cc2)C1 ZINC001209125924 813942039 /nfs/dbraw/zinc/94/20/39/813942039.db2.gz KONMTBXATIVHDX-LBPRGKRZSA-N 1 1 268.282 3.093 20 30 CGEDMO N#C[C@@H]1CC[N@H+](CCc2ccc(C(F)(F)F)cc2)C1 ZINC001209125924 813942043 /nfs/dbraw/zinc/94/20/43/813942043.db2.gz KONMTBXATIVHDX-LBPRGKRZSA-N 1 1 268.282 3.093 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001209157444 813950265 /nfs/dbraw/zinc/95/02/65/813950265.db2.gz CHSDVTJPUPVXDP-KDURUIRLSA-N 1 1 284.447 3.325 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2CN(Cc3ccc(C)cc3)C[C@H]2C1 ZINC001209157444 813950267 /nfs/dbraw/zinc/95/02/67/813950267.db2.gz CHSDVTJPUPVXDP-KDURUIRLSA-N 1 1 284.447 3.325 20 30 CGEDMO C=CCCC[N@H+]1C[C@H]2CN(Cc3ccc(C)cc3)C[C@H]2C1 ZINC001209157444 813950273 /nfs/dbraw/zinc/95/02/73/813950273.db2.gz CHSDVTJPUPVXDP-KDURUIRLSA-N 1 1 284.447 3.325 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]2[C@H]1CCN2Cc1ccc(C)o1 ZINC001209157507 813950285 /nfs/dbraw/zinc/95/02/85/813950285.db2.gz FDOOKTMMPYLCBF-SJORKVTESA-N 1 1 274.408 3.203 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001209160244 813951221 /nfs/dbraw/zinc/95/12/21/813951221.db2.gz LGKOYIAFXIDSBI-AWEZNQCLSA-N 1 1 282.428 3.332 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]2[C@H]1CN2C(=O)OC(C)(C)C ZINC001209158403 813952274 /nfs/dbraw/zinc/95/22/74/813952274.db2.gz NGWUVEMNTFAKHX-UONOGXRCSA-N 1 1 280.412 3.036 20 30 CGEDMO C=CCCCC[N@H+]1CCO[C@H](COc2ccccc2)C1 ZINC001209207083 813968849 /nfs/dbraw/zinc/96/88/49/813968849.db2.gz KOXHNONXGIMNRM-KRWDZBQOSA-N 1 1 275.392 3.123 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](CCc2ccc(F)c(F)c2)CC1 ZINC001209244212 813980610 /nfs/dbraw/zinc/98/06/10/813980610.db2.gz QYEOTVBWGOJKOS-CYBMUJFWSA-N 1 1 264.319 3.133 20 30 CGEDMO C#CCCC[NH+]1CC(Oc2ccccc2C(F)(F)F)C1 ZINC001209265733 813987956 /nfs/dbraw/zinc/98/79/56/813987956.db2.gz GIPLQFIWSVSJDH-UHFFFAOYSA-N 1 1 283.293 3.182 20 30 CGEDMO C#CCCC[N@H+](C(C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001209267217 813989087 /nfs/dbraw/zinc/98/90/87/813989087.db2.gz DLBRTXMQLHFWTO-OAHLLOKOSA-N 1 1 294.439 3.120 20 30 CGEDMO COC1CCC(C[N@H+]2CCc3ccc(C#N)cc3C2)CC1 ZINC001209395608 814012721 /nfs/dbraw/zinc/01/27/21/814012721.db2.gz HEFUVYFGLKQMKT-UHFFFAOYSA-N 1 1 284.403 3.122 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001209422708 814024050 /nfs/dbraw/zinc/02/40/50/814024050.db2.gz GLMMABFEPSOIHA-QDMKHBRRSA-N 1 1 294.439 3.188 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001209423161 814025810 /nfs/dbraw/zinc/02/58/10/814025810.db2.gz HFNQARNPOQJYBB-NEPJUHHUSA-N 1 1 283.309 3.070 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001209423161 814025815 /nfs/dbraw/zinc/02/58/15/814025815.db2.gz HFNQARNPOQJYBB-NEPJUHHUSA-N 1 1 283.309 3.070 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001209428507 814029573 /nfs/dbraw/zinc/02/95/73/814029573.db2.gz INNRCVKRXRKWOQ-ZDUSSCGKSA-N 1 1 259.340 3.233 20 30 CGEDMO C=CCCCCCC[N@@H+]1CC[C@@H](c2nc(C)no2)C1 ZINC001209441160 814040381 /nfs/dbraw/zinc/04/03/81/814040381.db2.gz UFVKKQNOCZVSQK-CQSZACIVSA-N 1 1 263.385 3.304 20 30 CGEDMO C=CCCCCCC[NH+]1CC2(C1)CC(F)(F)CO2 ZINC001209440833 814041486 /nfs/dbraw/zinc/04/14/86/814041486.db2.gz PRYNOTNFMKECAF-UHFFFAOYSA-N 1 1 259.340 3.233 20 30 CGEDMO C=CCCCCCCC[N@H+]1CCOC[C@H]1CCC(=O)OC ZINC001209443143 814043788 /nfs/dbraw/zinc/04/37/88/814043788.db2.gz MRSTWFRFGIGWHE-MRXNPFEDSA-N 1 1 297.439 3.167 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CCOC[C@H]1CCC(=O)OC ZINC001209443143 814043793 /nfs/dbraw/zinc/04/37/93/814043793.db2.gz MRSTWFRFGIGWHE-MRXNPFEDSA-N 1 1 297.439 3.167 20 30 CGEDMO C=CCCCCCCCC[N@H+]1CCN2CC[C@H]2C1 ZINC001209445336 814045226 /nfs/dbraw/zinc/04/52/26/814045226.db2.gz IVJZGELZPCKSBG-INIZCTEOSA-N 1 1 250.430 3.293 20 30 CGEDMO C=CCCCCCCCCN1CC[N@@H+]2CC[C@H]2C1 ZINC001209445336 814045232 /nfs/dbraw/zinc/04/52/32/814045232.db2.gz IVJZGELZPCKSBG-INIZCTEOSA-N 1 1 250.430 3.293 20 30 CGEDMO C=CCCCCCCCCN1CC[N@H+]2CC[C@H]2C1 ZINC001209445336 814045239 /nfs/dbraw/zinc/04/52/39/814045239.db2.gz IVJZGELZPCKSBG-INIZCTEOSA-N 1 1 250.430 3.293 20 30 CGEDMO C=CCCCCCCCC[N@H+]1CCO[C@H](COC)C1 ZINC001209445286 814045784 /nfs/dbraw/zinc/04/57/84/814045784.db2.gz IFQUNGBILNLTIY-INIZCTEOSA-N 1 1 269.429 3.250 20 30 CGEDMO C=C(C)C[N@H+](CC)C[C@@H](CC)NC(=O)OC(C)(C)C ZINC001209467823 814051785 /nfs/dbraw/zinc/05/17/85/814051785.db2.gz DQDUDBZUUDQJSR-CYBMUJFWSA-N 1 1 270.417 3.188 20 30 CGEDMO Cc1cccc2c(C[N@@H+]3CCC[C@H](C#N)C3)c[nH]c21 ZINC001209487222 814055585 /nfs/dbraw/zinc/05/55/85/814055585.db2.gz HACLZAXFFWSBAP-CYBMUJFWSA-N 1 1 253.349 3.212 20 30 CGEDMO Cc1cccc2c(C[N@H+]3CCC[C@H](C#N)C3)c[nH]c21 ZINC001209487222 814055597 /nfs/dbraw/zinc/05/55/97/814055597.db2.gz HACLZAXFFWSBAP-CYBMUJFWSA-N 1 1 253.349 3.212 20 30 CGEDMO Cc1cccc2c(C[N@@H+]3CCC[C@@H](C#N)C3)c[nH]c21 ZINC001209487223 814055697 /nfs/dbraw/zinc/05/56/97/814055697.db2.gz HACLZAXFFWSBAP-ZDUSSCGKSA-N 1 1 253.349 3.212 20 30 CGEDMO Cc1cccc2c(C[N@H+]3CCC[C@@H](C#N)C3)c[nH]c21 ZINC001209487223 814055706 /nfs/dbraw/zinc/05/57/06/814055706.db2.gz HACLZAXFFWSBAP-ZDUSSCGKSA-N 1 1 253.349 3.212 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1c(C)[nH]c2ncccc12 ZINC001209588168 814092407 /nfs/dbraw/zinc/09/24/07/814092407.db2.gz PISTZHBWYMQSIP-UHFFFAOYSA-N 1 1 270.380 3.387 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1c(C)[nH]c2ncccc12 ZINC001209588168 814092415 /nfs/dbraw/zinc/09/24/15/814092415.db2.gz PISTZHBWYMQSIP-UHFFFAOYSA-N 1 1 270.380 3.387 20 30 CGEDMO COc1cc(C[NH+]2CCC(S)CC2)c(F)cc1Cl ZINC001209668006 814111072 /nfs/dbraw/zinc/11/10/72/814111072.db2.gz SAZBYYIKVXRLBZ-UHFFFAOYSA-N 1 1 289.803 3.382 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1c[nH]c2cc(F)ccc12 ZINC001209692605 814113293 /nfs/dbraw/zinc/11/32/93/814113293.db2.gz RDHCNQPEBDSDTD-UHFFFAOYSA-N 1 1 259.328 3.433 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1c[nH]c2cc(F)ccc12 ZINC001209692605 814113295 /nfs/dbraw/zinc/11/32/95/814113295.db2.gz RDHCNQPEBDSDTD-UHFFFAOYSA-N 1 1 259.328 3.433 20 30 CGEDMO Cc1cc(C#N)ccc1Nc1[nH+]c2ccccc2n1C ZINC001210374823 814429954 /nfs/dbraw/zinc/42/99/54/814429954.db2.gz QNEFXVLBUUUKRK-UHFFFAOYSA-N 1 1 262.316 3.497 20 30 CGEDMO CSc1ccccc1[NH+]=C(NO)c1ccccc1N ZINC001211066008 814728259 /nfs/dbraw/zinc/72/82/59/814728259.db2.gz NFUFBMIZNCHLTQ-UHFFFAOYSA-N 1 1 273.361 3.048 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C)[C@@H]2C1 ZINC001221234173 816306715 /nfs/dbraw/zinc/30/67/15/816306715.db2.gz KUSVOOAWTBSDPW-SJLPKXTDSA-N 1 1 298.430 3.108 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCC3CC3)[C@@H]2C1 ZINC001221453038 816314523 /nfs/dbraw/zinc/31/45/23/816314523.db2.gz OPVDUJKBPGTGOT-DJIMGWMZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1C[C@H]2CC[N@@H+](CCC(=C)C)C[C@H]21 ZINC001221761739 816326943 /nfs/dbraw/zinc/32/69/43/816326943.db2.gz CQAGRZHWVULDOT-BRWVUGGUSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](CC)C(C)C)[C@@H]2C1 ZINC001221961128 816336371 /nfs/dbraw/zinc/33/63/71/816336371.db2.gz SMPWFKAJXMLRQQ-GVDBMIGSSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)CC(C)(C)C)CC1 ZINC001222381275 816424925 /nfs/dbraw/zinc/42/49/25/816424925.db2.gz HZKUXBHZGVMCBK-UHFFFAOYSA-N 1 1 286.847 3.003 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)C(CC)CC)C[C@@H]21 ZINC001223024340 816553693 /nfs/dbraw/zinc/55/36/93/816553693.db2.gz YRWJOCZXNKTBAD-UAGQMJEPSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)CCCC3CC3)C[C@@H]21 ZINC001223338708 816608265 /nfs/dbraw/zinc/60/82/65/816608265.db2.gz WZSPAARLBRFTCQ-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)CC)C[C@@H]21 ZINC001223406461 816623947 /nfs/dbraw/zinc/62/39/47/816623947.db2.gz YOQMZZIPDJIKKS-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C3(CCC)CC3)C[C@@H]21 ZINC001223483338 816637242 /nfs/dbraw/zinc/63/72/42/816637242.db2.gz XJZNUSXKGAGVRJ-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO CCCCCO[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001224659093 816843399 /nfs/dbraw/zinc/84/33/99/816843399.db2.gz ATODOENMSBPIEJ-KRWDZBQOSA-N 1 1 272.392 3.339 20 30 CGEDMO C=C[C@H](CCCCCC)OCCC[NH+]1CCOCC1 ZINC001224868294 816898358 /nfs/dbraw/zinc/89/83/58/816898358.db2.gz RJCWOXVMXPYJOO-MRXNPFEDSA-N 1 1 269.429 3.250 20 30 CGEDMO C=CC[C@@H](C=C)OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001224961038 816918481 /nfs/dbraw/zinc/91/84/81/816918481.db2.gz KEPJBNAKTWBTSO-MSOLQXFVSA-N 1 1 287.403 3.035 20 30 CGEDMO C=CC[C@@H](C=C)OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001224961038 816918485 /nfs/dbraw/zinc/91/84/85/816918485.db2.gz KEPJBNAKTWBTSO-MSOLQXFVSA-N 1 1 287.403 3.035 20 30 CGEDMO C[N@H+]1CCC[C@H](Oc2cc(Cl)cc(C#N)c2)CC1 ZINC001225698396 817147009 /nfs/dbraw/zinc/14/70/09/817147009.db2.gz UEMICFBABGDCLP-ZDUSSCGKSA-N 1 1 264.756 3.075 20 30 CGEDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ccc(C#N)cc1Cl ZINC001225729574 817160324 /nfs/dbraw/zinc/16/03/24/817160324.db2.gz PGBVSGMUBLICBF-VIKVFOODSA-N 1 1 290.794 3.321 20 30 CGEDMO CC(C)(C)[NH+]1CC(Oc2cc(Cl)ccc2C#N)C1 ZINC001228083714 817805663 /nfs/dbraw/zinc/80/56/63/817805663.db2.gz CAJXLGOURKFTFV-UHFFFAOYSA-N 1 1 264.756 3.073 20 30 CGEDMO C=CCCCCC[N@H+](C)CCCNC(=O)c1ccco1 ZINC001231247741 818064204 /nfs/dbraw/zinc/06/42/04/818064204.db2.gz AUFKFTCXGVLNIT-UHFFFAOYSA-N 1 1 278.396 3.078 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CCC1CC1 ZINC001231350584 818082316 /nfs/dbraw/zinc/08/23/16/818082316.db2.gz SQRWSACSRSZHQC-ZBFHGGJFSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCC[N@@H+](C)CCCNC(=O)c1ccccc1C ZINC001231390244 818090297 /nfs/dbraw/zinc/09/02/97/818090297.db2.gz MGVSUKKPBUDLDS-UHFFFAOYSA-N 1 1 274.408 3.013 20 30 CGEDMO CC(C)Oc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cn1 ZINC001231536636 818122819 /nfs/dbraw/zinc/12/28/19/818122819.db2.gz VEKJECSILBXYGB-PHZGNYQRSA-N 1 1 285.391 3.135 20 30 CGEDMO C[C@]1(O)CC[N@@H+](Cc2ccccc2C#Cc2ccccc2)C1 ZINC001231577069 818126642 /nfs/dbraw/zinc/12/66/42/818126642.db2.gz OYKDEVLXXXGWJG-FQEVSTJZSA-N 1 1 291.394 3.043 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H](C(F)F)C1 ZINC001231618590 818137845 /nfs/dbraw/zinc/13/78/45/818137845.db2.gz OSODNGIEOBTWPG-ZDUSSCGKSA-N 1 1 280.318 3.044 20 30 CGEDMO C#Cc1cccc(C[N@H+](CC)Cc2ccccn2)c1 ZINC001231664252 818154151 /nfs/dbraw/zinc/15/41/51/818154151.db2.gz YEVULEOGKRDXRI-UHFFFAOYSA-N 1 1 250.345 3.085 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccc(OC)c(OC(C)=O)c1 ZINC001231710826 818159409 /nfs/dbraw/zinc/15/94/09/818159409.db2.gz SIGAEZAXQRBSJU-UHFFFAOYSA-N 1 1 291.391 3.409 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@H+]2CCCC23CC3)cc1 ZINC001231818931 818184120 /nfs/dbraw/zinc/18/41/20/818184120.db2.gz QWDRZSQGQDIVTB-UHFFFAOYSA-N 1 1 269.392 3.165 20 30 CGEDMO N#CCC1C[NH+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232217882 818283435 /nfs/dbraw/zinc/28/34/35/818283435.db2.gz BCPUBKIQXPWTLZ-UHFFFAOYSA-N 1 1 288.354 3.128 20 30 CGEDMO N#Cc1cccc(O[C@@H]2CCC[N@H+](Cc3cnsc3)C2)c1 ZINC001232230676 818286056 /nfs/dbraw/zinc/28/60/56/818286056.db2.gz SCWGHLQIMRJPGG-MRXNPFEDSA-N 1 1 299.399 3.058 20 30 CGEDMO N#Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3cnsc3)C2)c1 ZINC001232230676 818286059 /nfs/dbraw/zinc/28/60/59/818286059.db2.gz SCWGHLQIMRJPGG-MRXNPFEDSA-N 1 1 299.399 3.058 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cccn2Cc2ccccc2)C1 ZINC001232233739 818288575 /nfs/dbraw/zinc/28/85/75/818288575.db2.gz MOPDYDYOZFIUDL-KRWDZBQOSA-N 1 1 278.399 3.382 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1c[nH]c2nccc(Cl)c12 ZINC001232457970 818354441 /nfs/dbraw/zinc/35/44/41/818354441.db2.gz BHUZNCBXWIXJPX-UHFFFAOYSA-N 1 1 276.771 3.342 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1c[nH]c2nccc(Cl)c12 ZINC001232457970 818354449 /nfs/dbraw/zinc/35/44/49/818354449.db2.gz BHUZNCBXWIXJPX-UHFFFAOYSA-N 1 1 276.771 3.342 20 30 CGEDMO N#Cc1ccnc(C[N@H+]2CCC[C@@H]2c2ccccc2)c1 ZINC001232480330 818363649 /nfs/dbraw/zinc/36/36/49/818363649.db2.gz SAKUQIMEVWSILW-QGZVFWFLSA-N 1 1 263.344 3.290 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2cc(C#N)ccn2)Cc2ccccc21 ZINC001232475938 818364712 /nfs/dbraw/zinc/36/47/12/818364712.db2.gz UXRNEVXIAUGMCG-CYBMUJFWSA-N 1 1 263.344 3.073 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccn2)Cc2ccccc21 ZINC001232475938 818364717 /nfs/dbraw/zinc/36/47/17/818364717.db2.gz UXRNEVXIAUGMCG-CYBMUJFWSA-N 1 1 263.344 3.073 20 30 CGEDMO C[C@@]1(CF)CC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC001232604846 818395053 /nfs/dbraw/zinc/39/50/53/818395053.db2.gz KSLGOHWJBACTGX-AWEZNQCLSA-N 1 1 266.747 3.393 20 30 CGEDMO C[C@@]1(CF)CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC001232604846 818395058 /nfs/dbraw/zinc/39/50/58/818395058.db2.gz KSLGOHWJBACTGX-AWEZNQCLSA-N 1 1 266.747 3.393 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1nc(Br)ccc1OC ZINC001232816578 818446802 /nfs/dbraw/zinc/44/68/02/818446802.db2.gz JMNWKGWHFYVUFG-UHFFFAOYSA-N 1 1 299.212 3.251 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1nc(Br)ccc1OC ZINC001232816578 818446798 /nfs/dbraw/zinc/44/67/98/818446798.db2.gz JMNWKGWHFYVUFG-UHFFFAOYSA-N 1 1 299.212 3.251 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@H](C#N)CC2)c(OC)cc1C ZINC001232832446 818452563 /nfs/dbraw/zinc/45/25/63/818452563.db2.gz KIPJZRUKLLAPSM-AWEZNQCLSA-N 1 1 288.391 3.138 20 30 CGEDMO CN(CC[N@@H+](C)Cc1ccccc1)Cc1ccc(C#N)s1 ZINC001232847543 818454319 /nfs/dbraw/zinc/45/43/19/818454319.db2.gz ZKWPXFPFULVJLH-UHFFFAOYSA-N 1 1 299.443 3.184 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](Oc3ccncc3)C2)s1 ZINC001232845023 818455147 /nfs/dbraw/zinc/45/51/47/818455147.db2.gz JTLWGWCHGWULAI-AWEZNQCLSA-N 1 1 299.399 3.058 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)s1)C[C@H]1Cc2ccccc2O1 ZINC001232846631 818455158 /nfs/dbraw/zinc/45/51/58/818455158.db2.gz LVWDDIRCSBKHLX-CYBMUJFWSA-N 1 1 284.384 3.055 20 30 CGEDMO N#Cc1ccc(C[N@H+](Cc2ccco2)C2CC2)s1 ZINC001232846915 818455167 /nfs/dbraw/zinc/45/51/67/818455167.db2.gz NUWJJXVSUFSMME-UHFFFAOYSA-N 1 1 258.346 3.377 20 30 CGEDMO N#Cc1ccc(C[N@@H+](Cc2ccco2)C2CC2)s1 ZINC001232846915 818455169 /nfs/dbraw/zinc/45/51/69/818455169.db2.gz NUWJJXVSUFSMME-UHFFFAOYSA-N 1 1 258.346 3.377 20 30 CGEDMO COC(C)(C)[C@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC001232892024 818467264 /nfs/dbraw/zinc/46/72/64/818467264.db2.gz WNPFSSYVPSLRPE-OAHLLOKOSA-N 1 1 276.355 3.087 20 30 CGEDMO CCC[N@@H+](Cc1cc(F)ccc1C#N)C1CCOCC1 ZINC001232893937 818467495 /nfs/dbraw/zinc/46/74/95/818467495.db2.gz LLGZFBNVGGLPHG-UHFFFAOYSA-N 1 1 276.355 3.088 20 30 CGEDMO COCC[C@H]1CCCC[N@H+]1Cc1ccc(C)cc1C#N ZINC001232966284 818485763 /nfs/dbraw/zinc/48/57/63/818485763.db2.gz JTTUKJVJCOYBCS-QGZVFWFLSA-N 1 1 272.392 3.258 20 30 CGEDMO N#Cc1cc[nH]c1C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC001233044321 818507101 /nfs/dbraw/zinc/50/71/01/818507101.db2.gz MQZDDHHMDNZXHQ-MRXNPFEDSA-N 1 1 251.333 3.223 20 30 CGEDMO N#Cc1cc[nH]c1C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC001233044321 818507108 /nfs/dbraw/zinc/50/71/08/818507108.db2.gz MQZDDHHMDNZXHQ-MRXNPFEDSA-N 1 1 251.333 3.223 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+](C)Cc1cccnc1C ZINC001233083646 818520625 /nfs/dbraw/zinc/52/06/25/818520625.db2.gz UJCIZVBIRDDWAU-UHFFFAOYSA-N 1 1 265.360 3.202 20 30 CGEDMO CN(C)c1ccc(C[N@@H+](C)C[C@H]2CC2(C)C)c(F)c1C#N ZINC001233102058 818521916 /nfs/dbraw/zinc/52/19/16/818521916.db2.gz NDWWBBLEHLRJSX-CYBMUJFWSA-N 1 1 289.398 3.241 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(O)c2[nH]c(=O)ccc12)C(C)(C)C ZINC001233295668 818572168 /nfs/dbraw/zinc/57/21/68/818572168.db2.gz JDHIVSRYNZTTBH-UHFFFAOYSA-N 1 1 286.375 3.433 20 30 CGEDMO C=CC[N@H+](Cc1cc(C(=O)OCC)ccn1)C(C)(C)C ZINC001233327612 818579601 /nfs/dbraw/zinc/57/96/01/818579601.db2.gz BIQPBFIWTUUQOS-UHFFFAOYSA-N 1 1 276.380 3.045 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)c(O)c1 ZINC001233386018 818607374 /nfs/dbraw/zinc/60/73/74/818607374.db2.gz BNTTYDOHAXBWNQ-HOCLYGCPSA-N 1 1 270.376 3.418 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)c(O)c1 ZINC001233386018 818607378 /nfs/dbraw/zinc/60/73/78/818607378.db2.gz BNTTYDOHAXBWNQ-HOCLYGCPSA-N 1 1 270.376 3.418 20 30 CGEDMO C[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(C#N)cc1[O-] ZINC001233387662 818607831 /nfs/dbraw/zinc/60/78/31/818607831.db2.gz SHSOMEBPIJIAQI-ZDUSSCGKSA-N 1 1 278.355 3.211 20 30 CGEDMO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(C#N)cc1O ZINC001233387662 818607834 /nfs/dbraw/zinc/60/78/34/818607834.db2.gz SHSOMEBPIJIAQI-ZDUSSCGKSA-N 1 1 278.355 3.211 20 30 CGEDMO C[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(C#N)cc1O ZINC001233387662 818607837 /nfs/dbraw/zinc/60/78/37/818607837.db2.gz SHSOMEBPIJIAQI-ZDUSSCGKSA-N 1 1 278.355 3.211 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)Cc1ccsc1 ZINC001233516044 818631463 /nfs/dbraw/zinc/63/14/63/818631463.db2.gz AJAWRJHPMJUIFH-AWEZNQCLSA-N 1 1 294.464 3.083 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C=C1CCC1 ZINC001233642900 818666284 /nfs/dbraw/zinc/66/62/84/818666284.db2.gz AXEBJYIIQLMIKC-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C=C(CC)CC ZINC001233651811 818669665 /nfs/dbraw/zinc/66/96/65/818669665.db2.gz CXJRHJYRPVJCIQ-INIZCTEOSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)c1coc(C)c1 ZINC001233866495 818720595 /nfs/dbraw/zinc/72/05/95/818720595.db2.gz RCJWSRDMOOXIKO-BBRMVZONSA-N 1 1 290.407 3.089 20 30 CGEDMO C#Cc1ccc(O[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nc1 ZINC001233968122 818742439 /nfs/dbraw/zinc/74/24/39/818742439.db2.gz UXKKIALSQOAQSS-SFHVURJKSA-N 1 1 292.382 3.106 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)/C=C(/C)CC ZINC001234140368 818787860 /nfs/dbraw/zinc/78/78/60/818787860.db2.gz KSZJMGAUYUXGPP-GBDTVTBQSA-N 1 1 278.440 3.230 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)/C=C(\C)CC ZINC001234140369 818789222 /nfs/dbraw/zinc/78/92/22/818789222.db2.gz KSZJMGAUYUXGPP-KBYULJEUSA-N 1 1 278.440 3.230 20 30 CGEDMO CN(C[C@H]1CC[N@H+]1CCC(C)(C)C)C(=O)C#CC(C)(C)C ZINC001234204284 818801899 /nfs/dbraw/zinc/80/18/99/818801899.db2.gz BODBXAYTFBCFJA-OAHLLOKOSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CC(C)(C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1CC/C=C\CC ZINC001234537299 818876697 /nfs/dbraw/zinc/87/66/97/818876697.db2.gz MLPABYSAQVLDIQ-QWGSZXSUSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1CCCCCC ZINC001234624379 818895256 /nfs/dbraw/zinc/89/52/56/818895256.db2.gz BTLPMLZUWXEWDX-INIZCTEOSA-N 1 1 280.456 3.456 20 30 CGEDMO C=CCCCCCCCC[N@H+]1CCC[C@]2(CNCCO2)C1 ZINC001235113906 819009344 /nfs/dbraw/zinc/00/93/44/819009344.db2.gz HSYMLDYPSMUPRS-SFHVURJKSA-N 1 1 294.483 3.358 20 30 CGEDMO CCc1cccc(C[N@@H+]2CCc3ccc(C#N)cc3C2)n1 ZINC001235249303 819048582 /nfs/dbraw/zinc/04/85/82/819048582.db2.gz AUELXGZXNBNRRT-UHFFFAOYSA-N 1 1 277.371 3.074 20 30 CGEDMO CCc1cccc(C[N@H+]2CCc3ccc(C#N)cc3C2)n1 ZINC001235249303 819048585 /nfs/dbraw/zinc/04/85/85/819048585.db2.gz AUELXGZXNBNRRT-UHFFFAOYSA-N 1 1 277.371 3.074 20 30 CGEDMO C=C(C)[C@@H]1CC=C(CN2CC[C@@]3(C2)C[NH2+]CC[C@@H]3F)CC1 ZINC001235411030 819090113 /nfs/dbraw/zinc/09/01/13/819090113.db2.gz ZSFUCMXGXZDUCW-SQNIBIBYSA-N 1 1 292.442 3.313 20 30 CGEDMO C=CCCC(=O)NCCC[N@H+](C)Cc1ccc(C)cc1C ZINC001235451088 819102818 /nfs/dbraw/zinc/10/28/18/819102818.db2.gz CBWKPQIHWGTFTJ-UHFFFAOYSA-N 1 1 288.435 3.208 20 30 CGEDMO C=CCCC(=O)NCCC[N@H+](C)[C@H](C)c1cccc(C)c1 ZINC001235464589 819105754 /nfs/dbraw/zinc/10/57/54/819105754.db2.gz LIANFTYXZNKAMW-MRXNPFEDSA-N 1 1 288.435 3.460 20 30 CGEDMO N#CCc1ccccc1C[N@H+]1CCc2cc(F)ccc2C1 ZINC001235524199 819114419 /nfs/dbraw/zinc/11/44/19/819114419.db2.gz BQDKONXGKZHLDX-UHFFFAOYSA-N 1 1 280.346 3.450 20 30 CGEDMO CCC1CC[NH+](Cc2c(F)cc(C#N)cc2F)CC1 ZINC001235652257 819130218 /nfs/dbraw/zinc/13/02/18/819130218.db2.gz UVEWXTYAZLGCPI-UHFFFAOYSA-N 1 1 264.319 3.458 20 30 CGEDMO CC1(C)CCC[N@@H+]1Cc1c(F)cc(C#N)cc1F ZINC001235652504 819130518 /nfs/dbraw/zinc/13/05/18/819130518.db2.gz YEWACNRCMVJIJD-UHFFFAOYSA-N 1 1 250.292 3.211 20 30 CGEDMO CC1(C)CCC[N@H+]1Cc1c(F)cc(C#N)cc1F ZINC001235652504 819130524 /nfs/dbraw/zinc/13/05/24/819130524.db2.gz YEWACNRCMVJIJD-UHFFFAOYSA-N 1 1 250.292 3.211 20 30 CGEDMO N#Cc1cc(F)c(C[N@H+]2CC[C@H]3CCC[C@H]3C2)c(F)c1 ZINC001235655214 819130635 /nfs/dbraw/zinc/13/06/35/819130635.db2.gz VXCLRWRUTOORIK-OLZOCXBDSA-N 1 1 276.330 3.458 20 30 CGEDMO CC(C)[N@@H+](CCCCCO)Cc1c(F)cc(C#N)cc1F ZINC001235668397 819134040 /nfs/dbraw/zinc/13/40/40/819134040.db2.gz YJDCLFOJAXORGB-UHFFFAOYSA-N 1 1 296.361 3.209 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)C[C@@H](N)c1ccccc1 ZINC001235963058 819251311 /nfs/dbraw/zinc/25/13/11/819251311.db2.gz SMPNSJSPYATEIE-GOSISDBHSA-N 1 1 266.388 3.375 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)C[C@@H](N)c1ccccc1 ZINC001235963058 819251314 /nfs/dbraw/zinc/25/13/14/819251314.db2.gz SMPNSJSPYATEIE-GOSISDBHSA-N 1 1 266.388 3.375 20 30 CGEDMO CCc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)c(O)c1 ZINC001236795636 819597962 /nfs/dbraw/zinc/59/79/62/819597962.db2.gz XINWRHSWIJFCIT-AWEZNQCLSA-N 1 1 258.365 3.080 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccnc3c(OC)cccc23)C1 ZINC001237112329 819670423 /nfs/dbraw/zinc/67/04/23/819670423.db2.gz SJFYLUHOJFFBFI-CQSZACIVSA-N 1 1 280.371 3.089 20 30 CGEDMO COc1ccc(C)c(C[N@H+]2CCc3ccc(C#N)cc3C2)c1 ZINC001237707138 819815273 /nfs/dbraw/zinc/81/52/73/819815273.db2.gz GDNDAEHHTJFFMO-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO CC1(C)C[N@@H+](Cc2cc(Cl)cc(C#N)c2)[C@@](C)(CO)C1 ZINC001237746432 819832441 /nfs/dbraw/zinc/83/24/41/819832441.db2.gz MYQBCASXVUGMJM-MRXNPFEDSA-N 1 1 292.810 3.195 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccccn3)n2)CC1 ZINC001237833228 819854609 /nfs/dbraw/zinc/85/46/09/819854609.db2.gz KYSCFMYDRYWWPH-OAHLLOKOSA-N 1 1 292.386 3.269 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1cncnc1C ZINC001238166341 819945378 /nfs/dbraw/zinc/94/53/78/819945378.db2.gz DYSUTKIBPDORAN-UHFFFAOYSA-N 1 1 267.376 3.363 20 30 CGEDMO N#Cc1cc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)ccc1Cl ZINC001238194397 819952052 /nfs/dbraw/zinc/95/20/52/819952052.db2.gz MLYQPISWILGWQB-SGMGOOAPSA-N 1 1 264.731 3.144 20 30 CGEDMO CCc1cc(C[N@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)ccc1C#N ZINC001238761323 820109614 /nfs/dbraw/zinc/10/96/14/820109614.db2.gz UEXLKSCLIVEIAJ-DOPJRALCSA-N 1 1 284.403 3.120 20 30 CGEDMO CCc1cc(C[N@@H+]2CCc3ncc(C)cc3C2)ccc1C#N ZINC001238768866 820112903 /nfs/dbraw/zinc/11/29/03/820112903.db2.gz NKULSDVPIYFHPX-UHFFFAOYSA-N 1 1 291.398 3.382 20 30 CGEDMO CCc1cc(C[N@H+]2CCc3ncc(C)cc3C2)ccc1C#N ZINC001238768866 820112906 /nfs/dbraw/zinc/11/29/06/820112906.db2.gz NKULSDVPIYFHPX-UHFFFAOYSA-N 1 1 291.398 3.382 20 30 CGEDMO CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(C#N)c(CC)c1 ZINC001238769002 820113512 /nfs/dbraw/zinc/11/35/12/820113512.db2.gz OARZDNMHKVFRBP-UHFFFAOYSA-N 1 1 287.451 3.284 20 30 CGEDMO CCCN(CCC[NH+](C)C)Cc1ccc(C#N)c(CC)c1 ZINC001238769002 820113518 /nfs/dbraw/zinc/11/35/18/820113518.db2.gz OARZDNMHKVFRBP-UHFFFAOYSA-N 1 1 287.451 3.284 20 30 CGEDMO CCC[N@H+](CCCN(C)C)Cc1ccc(C#N)c(CC)c1 ZINC001238769002 820113520 /nfs/dbraw/zinc/11/35/20/820113520.db2.gz OARZDNMHKVFRBP-UHFFFAOYSA-N 1 1 287.451 3.284 20 30 CGEDMO CCC[N@@H+](CCCN(C)C)Cc1ccc(C#N)c(CC)c1 ZINC001238769002 820113525 /nfs/dbraw/zinc/11/35/25/820113525.db2.gz OARZDNMHKVFRBP-UHFFFAOYSA-N 1 1 287.451 3.284 20 30 CGEDMO CCCCCCCCCOC(=O)N1CC[NH2+]C[C@H](F)C1 ZINC001239329493 820274936 /nfs/dbraw/zinc/27/49/36/820274936.db2.gz YSZZWQNKSIITPR-AWEZNQCLSA-N 1 1 288.407 3.117 20 30 CGEDMO C[N@@H+](Cc1ccc(-c2ccc(C#N)c(F)c2)nc1)C1CC1 ZINC001240145669 820853434 /nfs/dbraw/zinc/85/34/34/820853434.db2.gz JYZIQMAAYFAVSB-UHFFFAOYSA-N 1 1 281.334 3.354 20 30 CGEDMO N#Cc1ccc(C2=CCC[N@@H+](Cc3ccccc3)C2)nc1F ZINC001240385838 821010432 /nfs/dbraw/zinc/01/04/32/821010432.db2.gz MXEPBTFSFRNETA-UHFFFAOYSA-N 1 1 293.345 3.382 20 30 CGEDMO C[N@@H+]1CC=C(c2nc3ccccc3cc2CC#N)CC1 ZINC001241312495 821723427 /nfs/dbraw/zinc/72/34/27/821723427.db2.gz CEUYSHBXXNNKKO-UHFFFAOYSA-N 1 1 263.344 3.020 20 30 CGEDMO C[N@H+]1CCC=C(c2ncc(C#N)c3oc(C(C)(C)C)nc32)C1 ZINC001241567253 821952949 /nfs/dbraw/zinc/95/29/49/821952949.db2.gz SJALFMYIMQLBKE-UHFFFAOYSA-N 1 1 296.374 3.111 20 30 CGEDMO COc1cccc(-c2cc(F)c3c(c2)C[N@H+](C)CC3)c1C#N ZINC001242300257 822944206 /nfs/dbraw/zinc/94/42/06/822944206.db2.gz LKFLWYTZZGZGHL-UHFFFAOYSA-N 1 1 296.345 3.361 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@H](CCC)OC ZINC001474327881 937851916 /nfs/dbraw/zinc/85/19/16/937851916.db2.gz KMSIGDYDBMAZAE-KRWDZBQOSA-N 1 1 277.408 3.498 20 30 CGEDMO C=CCn1cnn(C[N@@H+]2C[C@H](C)CCC[C@@H]2C)c1=S ZINC001339479477 936374806 /nfs/dbraw/zinc/37/48/06/936374806.db2.gz INKYMKNXFXDKPR-OLZOCXBDSA-N 1 1 280.441 3.068 20 30 CGEDMO C=CCn1cnn(C[N@H+]2C[C@H](C)CCC[C@@H]2C)c1=S ZINC001339479477 936374811 /nfs/dbraw/zinc/37/48/11/936374811.db2.gz INKYMKNXFXDKPR-OLZOCXBDSA-N 1 1 280.441 3.068 20 30 CGEDMO C=C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC001340246906 936400836 /nfs/dbraw/zinc/40/08/36/936400836.db2.gz XJZSAPYBBGKZCB-NVXWUHKLSA-N 1 1 286.419 3.040 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(C#N)cc1C1CC1 ZINC001340882036 936417741 /nfs/dbraw/zinc/41/77/41/936417741.db2.gz NKZSXENNWIISDL-QGZVFWFLSA-N 1 1 297.402 3.247 20 30 CGEDMO C#CC[N@@H+](CC(=O)Nc1cccc(C(C)C)c1)CC1CC1 ZINC001341067618 936426280 /nfs/dbraw/zinc/42/62/80/936426280.db2.gz OYXNPNJGVYOARG-UHFFFAOYSA-N 1 1 284.403 3.094 20 30 CGEDMO C#CC[N@H+](CC(=O)Nc1cccc(C(C)C)c1)CC1CC1 ZINC001341067618 936426281 /nfs/dbraw/zinc/42/62/81/936426281.db2.gz OYXNPNJGVYOARG-UHFFFAOYSA-N 1 1 284.403 3.094 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[N@@H+](C2CCCC2)[C@H](C)C1 ZINC001347813695 936897532 /nfs/dbraw/zinc/89/75/32/936897532.db2.gz MNQQRMONCJVPOT-CQSZACIVSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)c1ccccc1 ZINC001348516224 936924656 /nfs/dbraw/zinc/92/46/56/936924656.db2.gz BQQOHQFYLZNGIU-ROUUACIJSA-N 1 1 298.430 3.089 20 30 CGEDMO C=C1CCC(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001350572837 936994780 /nfs/dbraw/zinc/99/47/80/936994780.db2.gz FCNQEVFJHLDSTN-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC)C1)c1cccc(C#N)c1 ZINC001350636916 936996851 /nfs/dbraw/zinc/99/68/51/936996851.db2.gz UYGTWQGONUMDAQ-AEFFLSMTSA-N 1 1 285.435 3.331 20 30 CGEDMO CC[C@H]([NH2+]C[C@H]1CCCN(CC)C1)c1cccc(C#N)c1 ZINC001350636916 936996853 /nfs/dbraw/zinc/99/68/53/936996853.db2.gz UYGTWQGONUMDAQ-AEFFLSMTSA-N 1 1 285.435 3.331 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)[C@@H](C)[C@H](C)C(C)(C)C)C1CC1 ZINC001493427807 926710832 /nfs/dbraw/zinc/71/08/32/926710832.db2.gz UAVSYDDCWSTTPP-GJZGRUSLSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[N@H+](CC)Cc1ccccc1C ZINC001480993322 926852810 /nfs/dbraw/zinc/85/28/10/926852810.db2.gz VMDXTVWNGFYCPJ-UHFFFAOYSA-N 1 1 288.435 3.145 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H](C)CCC ZINC001481030779 926866297 /nfs/dbraw/zinc/86/62/97/926866297.db2.gz MKMGRRKNIIHHNB-GXTWGEPZSA-N 1 1 286.847 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H](C)CCC ZINC001481030779 926866306 /nfs/dbraw/zinc/86/63/06/926866306.db2.gz MKMGRRKNIIHHNB-GXTWGEPZSA-N 1 1 286.847 3.146 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CCC1 ZINC001481034345 926868329 /nfs/dbraw/zinc/86/83/29/926868329.db2.gz ZOEAQTTUUVBLBJ-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H](CNC(=O)C=C2CCCCC2)C1 ZINC001481082519 926881317 /nfs/dbraw/zinc/88/13/17/926881317.db2.gz WJLJHLBMSQFFCE-QGZVFWFLSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC001481083462 926883863 /nfs/dbraw/zinc/88/38/63/926883863.db2.gz NETKWFKRZVLUIT-HOTGVXAUSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)[C@@H]1CCC[C@@H]1CC)C(C)C ZINC001481354396 926964849 /nfs/dbraw/zinc/96/48/49/926964849.db2.gz QNFJAFKNHLKYJB-JKSUJKDBSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)/C=C/C(C)(C)C)C1 ZINC001481482507 926999692 /nfs/dbraw/zinc/99/96/92/926999692.db2.gz QPYITSZJIGACLN-PXUDHTSWSA-N 1 1 292.467 3.335 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H](C[N@@H+](C)CC=C(C)C)C1 ZINC001481495381 927005211 /nfs/dbraw/zinc/00/52/11/927005211.db2.gz KESNQNFUXLXNHC-INIZCTEOSA-N 1 1 292.467 3.335 20 30 CGEDMO C=CC[N@H+](C)CC1CCN(C(=O)C2CCC(=C)CC2)CC1 ZINC001481518356 927011061 /nfs/dbraw/zinc/01/10/61/927011061.db2.gz REHIBVDTOMZQDH-UHFFFAOYSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@@H](C)C2CCC2)CC1 ZINC001481516218 927011253 /nfs/dbraw/zinc/01/12/53/927011253.db2.gz RJOJFWCGFYEDNP-HNNXBMFYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC)CC(C)C)C1 ZINC001481530098 927016677 /nfs/dbraw/zinc/01/66/77/927016677.db2.gz MKFUDHCFRUGPOL-JKSUJKDBSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCCCC[NH+]1CC(NC(=O)C2CCC=CCC2)C1 ZINC001481601787 927039168 /nfs/dbraw/zinc/03/91/68/927039168.db2.gz JBHZZMFUAIXNSK-UHFFFAOYSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)CC ZINC001481671933 927051920 /nfs/dbraw/zinc/05/19/20/927051920.db2.gz LCRZDOGWFQZTTN-IKGGRYGDSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C(CC(C)C)CC(C)C)C1 ZINC001481709628 927066173 /nfs/dbraw/zinc/06/61/73/927066173.db2.gz ALMOWFUWXCKOKH-MRXNPFEDSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CC(=C)C)C1)c1ccccc1 ZINC001481709448 927068094 /nfs/dbraw/zinc/06/80/94/927068094.db2.gz FRVIXXPHDUFITR-QZTJIDSGSA-N 1 1 298.430 3.113 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](N(C)C(=O)C2CCC2)C1 ZINC001481711625 927072033 /nfs/dbraw/zinc/07/20/33/927072033.db2.gz MPHHVRXPXGQDRW-INIZCTEOSA-N 1 1 280.456 3.290 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)C[C@@H](C)CC(C)C)C1 ZINC001481778436 927086273 /nfs/dbraw/zinc/08/62/73/927086273.db2.gz MTYBFNBPVJZNCE-IRXDYDNUSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCCC(=O)N(C)CC[N@H+](C)CC1CCC(C)CC1 ZINC001482585234 927305393 /nfs/dbraw/zinc/30/53/93/927305393.db2.gz YETDVNNMVSXCDE-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)c1ccc(F)c(C)c1 ZINC001482624517 927328445 /nfs/dbraw/zinc/32/84/45/927328445.db2.gz OMAXMGHTDPFKGS-UHFFFAOYSA-N 1 1 292.398 3.104 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)[C@H](CCC)C(C)C ZINC001482631959 927332993 /nfs/dbraw/zinc/33/29/93/927332993.db2.gz FCZUOGFHOQGBMZ-OAHLLOKOSA-N 1 1 268.445 3.025 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCCC)C1 ZINC001482659557 927339818 /nfs/dbraw/zinc/33/98/18/927339818.db2.gz OQUPTVUHWUYGBC-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H](C)C[N@@H+](C)CCC2CCCC2)C1 ZINC001483384182 927492993 /nfs/dbraw/zinc/49/29/93/927492993.db2.gz NRDPEWPNTHIGDJ-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C)C(CC)CC ZINC001483662417 927562217 /nfs/dbraw/zinc/56/22/17/927562217.db2.gz UYYGTXADRZPBKH-ZBFHGGJFSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC(=O)N[C@@]1(C)CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001484034531 927664228 /nfs/dbraw/zinc/66/42/28/927664228.db2.gz KSTAUNOPONOONH-KRWDZBQOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCC[C@](C)(CNC(=O)C[C@H](CC)C(C)C)C1 ZINC001484173487 927682463 /nfs/dbraw/zinc/68/24/63/927682463.db2.gz KDUXFRIWJBAOIQ-FUHWJXTLSA-N 1 1 294.483 3.463 20 30 CGEDMO CC#CCCCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCC ZINC001484463569 927708347 /nfs/dbraw/zinc/70/83/47/927708347.db2.gz QOTKGLAHNROKIK-IRXDYDNUSA-N 1 1 290.451 3.045 20 30 CGEDMO C=C(C)C[N@@H+]1CCc2c(CNC(=O)/C(C)=C\C)cccc2C1 ZINC001484611488 927728432 /nfs/dbraw/zinc/72/84/32/927728432.db2.gz KCQMSUZUBFFUCZ-WCSRMQSCSA-N 1 1 298.430 3.203 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)/C(C)=C/CC)CC1 ZINC001484707948 927742180 /nfs/dbraw/zinc/74/21/80/927742180.db2.gz IVXWEMHFUUICAE-CYIWUNGXSA-N 1 1 284.831 3.066 20 30 CGEDMO C=CC(C)(C)CC(=O)N(C)CCC[N@@H+](C)CC1CCC1 ZINC001484744691 927747376 /nfs/dbraw/zinc/74/73/76/927747376.db2.gz LUUFRXNPHWPDSP-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C2(CC)CC2)CC1 ZINC001484722350 927748581 /nfs/dbraw/zinc/74/85/81/927748581.db2.gz HSIASJGQIWDRIX-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[N@H+](CC2CCC2)CC1(C)C ZINC001484938264 927775326 /nfs/dbraw/zinc/77/53/26/927775326.db2.gz XSXKRDODKYEJGQ-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[N@@H+](CC2CCC2)[C@@H](C)C1 ZINC001484971913 927777214 /nfs/dbraw/zinc/77/72/14/927777214.db2.gz JPKUDPCQHAZKLG-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](NC(=O)CCCCCCCC)C[C@@H]1C ZINC001484986022 927779876 /nfs/dbraw/zinc/77/98/76/927779876.db2.gz NWGHQRPXAMDEPP-IRXDYDNUSA-N 1 1 292.467 3.339 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C=C(CC)CC ZINC001485052887 927794791 /nfs/dbraw/zinc/79/47/91/927794791.db2.gz LCGXYNYUYSREQH-HNNXBMFYSA-N 1 1 298.858 3.408 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)C=C(CC)CC ZINC001485052887 927794801 /nfs/dbraw/zinc/79/48/01/927794801.db2.gz LCGXYNYUYSREQH-HNNXBMFYSA-N 1 1 298.858 3.408 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1ccsc1C ZINC001485303674 927846251 /nfs/dbraw/zinc/84/62/51/927846251.db2.gz LOHVEMJAFAMPIQ-CHWSQXEVSA-N 1 1 294.464 3.461 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1ccsc1C ZINC001485303893 927850106 /nfs/dbraw/zinc/85/01/06/927850106.db2.gz LOHVEMJAFAMPIQ-QWHCGFSZSA-N 1 1 294.464 3.461 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)c1ccc(C)cc1F ZINC001485358955 927855275 /nfs/dbraw/zinc/85/52/75/927855275.db2.gz UREYEMPUZPZDOF-CQSZACIVSA-N 1 1 292.398 3.150 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)c1cc2ccccc2o1 ZINC001485380590 927861794 /nfs/dbraw/zinc/86/17/94/927861794.db2.gz IJAZVLOKCMYZCV-ZDUSSCGKSA-N 1 1 286.375 3.059 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC(C)(C)C1CC1 ZINC001485477700 927875849 /nfs/dbraw/zinc/87/58/49/927875849.db2.gz XJNSMBNMSUHARD-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCCC(C)C)[C@@H]2C1 ZINC001485615910 927894707 /nfs/dbraw/zinc/89/47/07/927894707.db2.gz JQAAUGFHMUFYPP-OSYLJGHBSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCCC(=O)N1CC2(C1)CCC[N@H+](CCCCCC)C2 ZINC001485661421 927898000 /nfs/dbraw/zinc/89/80/00/927898000.db2.gz YRLFWYCHHHZIRY-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO CCCCCCCCC[N@H+]1CCCNC(=O)[C@H]1CC ZINC001473821785 937202080 /nfs/dbraw/zinc/20/20/80/937202080.db2.gz DPLYDVGJVCIFBN-OAHLLOKOSA-N 1 1 268.445 3.338 20 30 CGEDMO C=CCCCC(=O)N[C@]12CCC[C@@H]1[N@@H+](CC(C)C)CC2 ZINC001486147681 927991149 /nfs/dbraw/zinc/99/11/49/927991149.db2.gz KKCOVBXGPVRZAO-RDJZCZTQSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C(C)(CC)CC)[C@@H]1C ZINC001486187632 927996263 /nfs/dbraw/zinc/99/62/63/927996263.db2.gz VGMDDSZBKVNSEJ-GJZGRUSLSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(CC)CC)[C@H]1C ZINC001486187634 927997319 /nfs/dbraw/zinc/99/73/19/927997319.db2.gz VGMDDSZBKVNSEJ-HUUCEWRRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)c1ccc(Cl)[nH]1)C(C)C ZINC001486374998 928015592 /nfs/dbraw/zinc/01/55/92/928015592.db2.gz QGDFCCLJGKPJQE-UHFFFAOYSA-N 1 1 297.830 3.027 20 30 CGEDMO C=CCCC[N@H+](CC)C[C@@H]1CCCC[C@H]1C(=O)OC ZINC001560204469 937211833 /nfs/dbraw/zinc/21/18/33/937211833.db2.gz MJXPZUFLMSBLJC-LSDHHAIUSA-N 1 1 267.413 3.254 20 30 CGEDMO C#CC[N@H+](CCCc1c(F)cccc1F)C(C)C ZINC001198026249 928270272 /nfs/dbraw/zinc/27/02/72/928270272.db2.gz BQOZKJJNUFVXHT-UHFFFAOYSA-N 1 1 251.320 3.241 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@]1(C)CC=C(C)CC1 ZINC001488693063 928293806 /nfs/dbraw/zinc/29/38/06/928293806.db2.gz ORSMXOJPBPZIOR-SJLPKXTDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@H]1CC[N@@H+](CC(=C)C)[C@@H]1CC ZINC001489129070 928314663 /nfs/dbraw/zinc/31/46/63/928314663.db2.gz VIQKJBZDRZDZFD-HRCADAONSA-N 1 1 278.440 3.134 20 30 CGEDMO CC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[C@@H](C)CCC ZINC001489319869 928325881 /nfs/dbraw/zinc/32/58/81/928325881.db2.gz HKJCJWAQXPMKJF-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO CC/C=C/CC[N@@H+](CC)CCCNC(=O)C#CC(C)(C)C ZINC001490324841 928345642 /nfs/dbraw/zinc/34/56/42/928345642.db2.gz LXJMJUMKWWTZSG-CMDGGOBGSA-N 1 1 292.467 3.220 20 30 CGEDMO C#CC[N@H+](CCCNC(=O)C(C)(C)CC(C)(C)C)C1CC1 ZINC001490392929 928352338 /nfs/dbraw/zinc/35/23/38/928352338.db2.gz JVKYRIGIHKRRAT-UHFFFAOYSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CCC[N@H+](CCC(=C)C)C1 ZINC001490438240 928354498 /nfs/dbraw/zinc/35/44/98/928354498.db2.gz ANFNTNRUCWNQJM-KRWDZBQOSA-N 1 1 290.451 3.302 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](CNC(=O)C[C@H]2CCCCC2(C)C)C1 ZINC001493272701 937239311 /nfs/dbraw/zinc/23/93/11/937239311.db2.gz XAKZCWDGDIPMHX-JKSUJKDBSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)C2CC3(CC3)C2)C1 ZINC001490448554 928357965 /nfs/dbraw/zinc/35/79/65/928357965.db2.gz APXCPTNTEMZWRH-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)SC)C1 ZINC001490428393 928362569 /nfs/dbraw/zinc/36/25/69/928362569.db2.gz VUORPFAFPKDTTQ-LSDHHAIUSA-N 1 1 298.496 3.065 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2cscc2C)C1 ZINC001490531128 928367877 /nfs/dbraw/zinc/36/78/77/928367877.db2.gz WGTKDSGVEVSIIZ-ZIAGYGMSSA-N 1 1 292.448 3.215 20 30 CGEDMO CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)CC[C@H](C)CC)C1 ZINC001490774227 928387177 /nfs/dbraw/zinc/38/71/77/928387177.db2.gz QFNORJWRLJSRTP-SJORKVTESA-N 1 1 292.467 3.006 20 30 CGEDMO C=CC(C)(C)CC(=O)N(CC)[C@@H]1CC[N@H+](C[C@H](F)CC)C1 ZINC001318474187 928438027 /nfs/dbraw/zinc/43/80/27/928438027.db2.gz SNRGTVZQXZTCGM-HUUCEWRRSA-N 1 1 298.446 3.260 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC2CCC2)C1 ZINC001491291438 928854347 /nfs/dbraw/zinc/85/43/47/928854347.db2.gz XVVRHXQCCFMGPZ-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO Cc1nc(NCCC[N@H+](C)CC(C)C)c(Cl)cc1C#N ZINC001458480712 937464622 /nfs/dbraw/zinc/46/46/22/937464622.db2.gz JQEGHILIGYULQI-UHFFFAOYSA-N 1 1 294.830 3.305 20 30 CGEDMO C=CC[N@@H+](C/C=C(\C)COC)CCc1ccccc1 ZINC001459388562 937486547 /nfs/dbraw/zinc/48/65/47/937486547.db2.gz BCLDKNOIZMOZGS-MHWRWJLKSA-N 1 1 259.393 3.310 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CCCc2cc(OC)ccc2C1 ZINC001459436397 937488191 /nfs/dbraw/zinc/48/81/91/937488191.db2.gz HVJPDTXOWKEEIM-CQSZACIVSA-N 1 1 257.377 3.245 20 30 CGEDMO Cc1cc(C)c2c(c1)C[N@@H+](Cc1cc(C#N)ccn1)CC2 ZINC001459971149 937509760 /nfs/dbraw/zinc/50/97/60/937509760.db2.gz XKVPDALEFIUMSY-UHFFFAOYSA-N 1 1 277.371 3.128 20 30 CGEDMO Cc1cc(C)c2c(c1)C[N@H+](Cc1cc(C#N)ccn1)CC2 ZINC001459971149 937509762 /nfs/dbraw/zinc/50/97/62/937509762.db2.gz XKVPDALEFIUMSY-UHFFFAOYSA-N 1 1 277.371 3.128 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](CC)C(=O)OC(C)(C)C)C1 ZINC001460364894 937528250 /nfs/dbraw/zinc/52/82/50/937528250.db2.gz VDSPOSOTOQIVQT-KGLIPLIRSA-N 1 1 267.413 3.395 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](C[C@H]2CCC[C@]3(CCOC3)O2)C1 ZINC001460361122 937528741 /nfs/dbraw/zinc/52/87/41/937528741.db2.gz LJNNRTJVAFPUBQ-BRWVUGGUSA-N 1 1 279.424 3.003 20 30 CGEDMO C#CC[N@H+](Cc1ccc([N+](=O)[O-])c(OCC)c1)C(C)(C)C ZINC001460808346 937546284 /nfs/dbraw/zinc/54/62/84/937546284.db2.gz RPJRNZBURSPPJH-UHFFFAOYSA-N 1 1 290.363 3.227 20 30 CGEDMO C[C@@H]1Cc2n[nH]cc2C[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001460782201 937544621 /nfs/dbraw/zinc/54/46/21/937544621.db2.gz UMPUXKKLPHBFHD-CYBMUJFWSA-N 1 1 299.805 3.109 20 30 CGEDMO C[C@@H]1Cc2n[nH]cc2C[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001460782201 937544623 /nfs/dbraw/zinc/54/46/23/937544623.db2.gz UMPUXKKLPHBFHD-CYBMUJFWSA-N 1 1 299.805 3.109 20 30 CGEDMO C=CC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001460880894 937550332 /nfs/dbraw/zinc/55/03/32/937550332.db2.gz MMISJNKEIUXKGY-HZSPNIEDSA-N 1 1 282.428 3.044 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C1 ZINC001139402788 931952237 /nfs/dbraw/zinc/95/22/37/931952237.db2.gz XNSRISRTSSOUPS-CQSZACIVSA-N 1 1 277.371 3.462 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)C(=O)Nc1ccccc1 ZINC001460897459 937551616 /nfs/dbraw/zinc/55/16/16/937551616.db2.gz DFQLETVNYVDWSS-CQSZACIVSA-N 1 1 260.381 3.302 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)C(C)C ZINC001329452027 932001644 /nfs/dbraw/zinc/00/16/44/932001644.db2.gz YENBHJDIIJNEKQ-CABCVRRESA-N 1 1 282.472 3.460 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCCC[C@]12CCOC2 ZINC001460962920 937556437 /nfs/dbraw/zinc/55/64/37/937556437.db2.gz YYTHPHLSMXAURB-MRXNPFEDSA-N 1 1 264.413 3.351 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](Oc2ccc(C3(C#N)CC3)cc2)C1 ZINC001229945225 932506518 /nfs/dbraw/zinc/50/65/18/932506518.db2.gz URHJEJSRFQQSNK-INIZCTEOSA-N 1 1 270.376 3.103 20 30 CGEDMO C[N@H+]1CCC[C@@H](Oc2ccc(C3(C#N)CC3)cc2)CC1 ZINC001229939123 932506626 /nfs/dbraw/zinc/50/66/26/932506626.db2.gz WOFJBEDMVQIJOI-OAHLLOKOSA-N 1 1 270.376 3.105 20 30 CGEDMO Cc1cc(Cl)c(C#N)c(O[C@@H]2CCC[N@H+](C(C)C)C2)n1 ZINC001230183623 932540155 /nfs/dbraw/zinc/54/01/55/932540155.db2.gz OOEQADLIURRPQD-GFCCVEGCSA-N 1 1 293.798 3.167 20 30 CGEDMO C=CCCC(=O)N1CCC([C@@H]2CCC[N@@H+]2CCC=C)CC1 ZINC001230537078 932585893 /nfs/dbraw/zinc/58/58/93/932585893.db2.gz AYOZQKUJHOJZGW-KRWDZBQOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC)CC1 ZINC001230569478 932591141 /nfs/dbraw/zinc/59/11/41/932591141.db2.gz MVGOFLREDYAAAA-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CCC(=O)N1CCC([C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001230572751 932592203 /nfs/dbraw/zinc/59/22/03/932592203.db2.gz SYJQOPXEQHQRRR-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C[N@H+]1CCC[C@H](Oc2c(C#N)cccc2C(C)(C)C)C1 ZINC001230632612 932601174 /nfs/dbraw/zinc/60/11/74/932601174.db2.gz LBKOBDJYXIWOQG-AWEZNQCLSA-N 1 1 272.392 3.329 20 30 CGEDMO C=CCOc1ccccc1[C@@H](C)Oc1[nH+][nH]cc2nncc1-2 ZINC001230902113 932638447 /nfs/dbraw/zinc/63/84/47/932638447.db2.gz YRKIYBWOPLHISB-LLVKDONJSA-N 1 1 296.330 3.058 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)C[C@@H](OC)C1CC1 ZINC001462190387 937623677 /nfs/dbraw/zinc/62/36/77/937623677.db2.gz MGRIEFJBJJCNAF-QGZVFWFLSA-N 1 1 259.393 3.490 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CCC[N@@H+](CCC2CC2)[C@@H]1C ZINC001332197115 932734536 /nfs/dbraw/zinc/73/45/36/932734536.db2.gz AAUMDPYRWMXSKT-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)CC(C)(C)C ZINC001316610994 932748640 /nfs/dbraw/zinc/74/86/40/932748640.db2.gz WOODZWHXAWCAJI-OAHLLOKOSA-N 1 1 292.467 3.005 20 30 CGEDMO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)CC(C)(C)C ZINC001316610994 932748644 /nfs/dbraw/zinc/74/86/44/932748644.db2.gz WOODZWHXAWCAJI-OAHLLOKOSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)CCC(=O)NCC[N@H+](C)[C@@H](C)c1ccccc1C ZINC001492266690 932813193 /nfs/dbraw/zinc/81/31/93/932813193.db2.gz GZBRDWDVLYCJDU-INIZCTEOSA-N 1 1 288.435 3.460 20 30 CGEDMO C=C(C)C[N@@H+](C)CCNC(=O)c1cc2ccccc2s1 ZINC001492324336 932815945 /nfs/dbraw/zinc/81/59/45/932815945.db2.gz WNZFSMRCZLFOCY-UHFFFAOYSA-N 1 1 288.416 3.139 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)/C=C\C(C)(C)C)C1 ZINC001317200946 932818862 /nfs/dbraw/zinc/81/88/62/932818862.db2.gz NKFWYCZMFJJICU-REDNKSFVSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCC[C@H]([N@H+](C)CCCC)C1 ZINC001317375578 932861329 /nfs/dbraw/zinc/86/13/29/932861329.db2.gz LIFPDAOBUSOTAN-KRWDZBQOSA-N 1 1 292.467 3.478 20 30 CGEDMO C#CCCCCCC[NH2+][C@H](CC(C)(C)C)C(=O)OC ZINC001462373500 937636245 /nfs/dbraw/zinc/63/62/45/937636245.db2.gz RKOUVPWAOAYDMG-CQSZACIVSA-N 1 1 267.413 3.138 20 30 CGEDMO C=CCC1(C(=O)NCCC[N@H+](C)CC2CCCC2)CCC1 ZINC001316846615 932868611 /nfs/dbraw/zinc/86/86/11/932868611.db2.gz MQWZHZUUJKYJTH-UHFFFAOYSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CC[C@@H](C(=O)OC)[N@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC001307464485 932956779 /nfs/dbraw/zinc/95/67/79/932956779.db2.gz ICOYOIFNCFBODP-FUHWJXTLSA-N 1 1 287.403 3.158 20 30 CGEDMO C=CC[C@H](C)[N@@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC001307468566 932956827 /nfs/dbraw/zinc/95/68/27/932956827.db2.gz AUWBJIBHJFLHDN-WFASDCNBSA-N 1 1 292.810 3.342 20 30 CGEDMO C#CC[N@@H+](CC)CCOc1cc(Cl)cc(Cl)c1 ZINC001307511574 932963626 /nfs/dbraw/zinc/96/36/26/932963626.db2.gz YDFLECHYEKSZMU-UHFFFAOYSA-N 1 1 272.175 3.327 20 30 CGEDMO C=CCN(C)CC[N@@H+](CC)CC[C@H]1CC1(Cl)Cl ZINC001307730395 932992854 /nfs/dbraw/zinc/99/28/54/932992854.db2.gz YFJBGJVZGWPEAB-LBPRGKRZSA-N 1 1 279.255 3.010 20 30 CGEDMO C=CC[C@H]1CCCN(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001307914533 933019155 /nfs/dbraw/zinc/01/91/55/933019155.db2.gz GRMIWUGGIAKMDX-BBWFWOEESA-N 1 1 264.457 3.252 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](CCN2C[C@H](C)C[C@H](C)C2)C1 ZINC001307914533 933019158 /nfs/dbraw/zinc/01/91/58/933019158.db2.gz GRMIWUGGIAKMDX-BBWFWOEESA-N 1 1 264.457 3.252 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](CCN2C[C@H](C)C[C@H](C)C2)C1 ZINC001307914533 933019164 /nfs/dbraw/zinc/01/91/64/933019164.db2.gz GRMIWUGGIAKMDX-BBWFWOEESA-N 1 1 264.457 3.252 20 30 CGEDMO C[N@H+](C[C@@H]1CC2(CO1)CCCCC2)[C@H]1CCC[C@H]1C#N ZINC001307994932 933032929 /nfs/dbraw/zinc/03/29/29/933032929.db2.gz ZIFZUGUPCJLVDP-JYJNAYRXSA-N 1 1 276.424 3.350 20 30 CGEDMO C[N@@H+](C[C@@H]1CC2(CO1)CCCCC2)[C@H]1CCC[C@H]1C#N ZINC001307994932 933032932 /nfs/dbraw/zinc/03/29/32/933032932.db2.gz ZIFZUGUPCJLVDP-JYJNAYRXSA-N 1 1 276.424 3.350 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001308138329 933056454 /nfs/dbraw/zinc/05/64/54/933056454.db2.gz WXSJOJOJVNFVQC-CQSZACIVSA-N 1 1 290.363 3.404 20 30 CGEDMO C#C[C@@H]1CCCC[N@@H+]1C[C@H](C)c1ccc(OC)cc1 ZINC001308142185 933056792 /nfs/dbraw/zinc/05/67/92/933056792.db2.gz PURRVMKBFVAUJJ-GOEBONIOSA-N 1 1 257.377 3.286 20 30 CGEDMO CC(C)CCCC[NH+]1CC(Oc2ccc(C#N)cc2)C1 ZINC001308809590 933181828 /nfs/dbraw/zinc/18/18/28/933181828.db2.gz NTUDPSMBKMEYIN-UHFFFAOYSA-N 1 1 272.392 3.448 20 30 CGEDMO C#CC[N@@H+]([C@@H](C)c1nccc2ccccc21)C1CSC1 ZINC001308909403 933202262 /nfs/dbraw/zinc/20/22/62/933202262.db2.gz RQPMLLZVXRESIQ-ZDUSSCGKSA-N 1 1 282.412 3.346 20 30 CGEDMO C#CC[N@H+]([C@@H](C)c1nccc2ccccc21)C1CSC1 ZINC001308909403 933202268 /nfs/dbraw/zinc/20/22/68/933202268.db2.gz RQPMLLZVXRESIQ-ZDUSSCGKSA-N 1 1 282.412 3.346 20 30 CGEDMO C#CCCCC(=O)NC[C@H]1CCC[N@@H+]1CCCC(C)(C)C ZINC001317500044 933286517 /nfs/dbraw/zinc/28/65/17/933286517.db2.gz UPXKGNXSCYKEPE-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC(C)(C)CCCNC(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC001311401467 933294799 /nfs/dbraw/zinc/29/47/99/933294799.db2.gz ROTFHRJOTAZQLU-HNNXBMFYSA-N 1 1 295.471 3.010 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001317505215 933300036 /nfs/dbraw/zinc/30/00/36/933300036.db2.gz JTXLGXRDYZIGTM-XHSDSOJGSA-N 1 1 280.456 3.193 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1 ZINC001317036219 933467435 /nfs/dbraw/zinc/46/74/35/933467435.db2.gz SCVLKPFBSUGGRH-IRXDYDNUSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]2[C@H](NC(=O)C=C(C)C)C(C)(C)[C@H]21 ZINC001316719252 933475536 /nfs/dbraw/zinc/47/55/36/933475536.db2.gz LYYFQJHXGGYRFS-PVAVHDDUSA-N 1 1 290.451 3.134 20 30 CGEDMO C=C1CC(C)(C(=O)NCCC[N@H+](CC)CC=C(C)C)C1 ZINC001316901023 933491872 /nfs/dbraw/zinc/49/18/72/933491872.db2.gz WLAPPDBBFICMMC-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)CC2(C)CCCC2)C1 ZINC001316975023 933505417 /nfs/dbraw/zinc/50/54/17/933505417.db2.gz ASHDNVQXXXFSFT-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@]2(C)CC=CCC2)C1 ZINC001317036348 933519047 /nfs/dbraw/zinc/51/90/47/933519047.db2.gz DLTBDTROAYFPFA-FUHWJXTLSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)C2(CCCC)CC2)C1 ZINC001317135980 933539707 /nfs/dbraw/zinc/53/97/07/933539707.db2.gz VWASZBSWMUPBEA-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)CCCC(C)C ZINC001317177915 933546641 /nfs/dbraw/zinc/54/66/41/933546641.db2.gz JWGGSWADDZJJKR-INIZCTEOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)CCCCCC)C1 ZINC001317381906 933581783 /nfs/dbraw/zinc/58/17/83/933581783.db2.gz SMHCFARCESHQIR-MRXNPFEDSA-N 1 1 280.456 3.456 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)C2CCC(F)CC2)C1 ZINC001317380112 933582549 /nfs/dbraw/zinc/58/25/49/933582549.db2.gz YRXVUEFHZJRBHL-UYSNPLJNSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001317383164 933582924 /nfs/dbraw/zinc/58/29/24/933582924.db2.gz KBTMTACEWHJADE-BRWVUGGUSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H]1CCCNC(=O)c1ccsc1 ZINC001317420833 933590363 /nfs/dbraw/zinc/59/03/63/933590363.db2.gz SHQCTVYEAFIQLQ-HNNXBMFYSA-N 1 1 292.448 3.299 20 30 CGEDMO C=C1CC(C)(C(=O)NCC[N@H+](C)CCC2CCCCC2)C1 ZINC001317461887 933597844 /nfs/dbraw/zinc/59/78/44/933597844.db2.gz HTIQYMXOSTWEOW-UHFFFAOYSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001317486075 933602329 /nfs/dbraw/zinc/60/23/29/933602329.db2.gz JEHLULAJWKNYED-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)c1ccc(C(F)F)cc1 ZINC001317488555 933603347 /nfs/dbraw/zinc/60/33/47/933603347.db2.gz RCWCABHLZBOCRO-UHFFFAOYSA-N 1 1 296.361 3.252 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CCC[N@@H+]2C[C@H](F)CC)CCC1 ZINC001317509865 933608281 /nfs/dbraw/zinc/60/82/81/933608281.db2.gz QCBIDPZHLPJBSM-CABCVRRESA-N 1 1 296.430 3.062 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C ZINC001317543826 933615285 /nfs/dbraw/zinc/61/52/85/933615285.db2.gz XFVKIXHWIFLZMF-HOTGVXAUSA-N 1 1 292.467 3.239 20 30 CGEDMO C#Cc1ccc(C(=O)NCC[N@H+](CCC)CCC(=C)C)cc1 ZINC001317542724 933615790 /nfs/dbraw/zinc/61/57/90/933615790.db2.gz IYTBIRVZOBHGCP-UHFFFAOYSA-N 1 1 298.430 3.076 20 30 CGEDMO C=C(C)CC[N@@H+](CCNC(=O)c1ccc(Cl)o1)C1CC1 ZINC001317548519 933617433 /nfs/dbraw/zinc/61/74/33/933617433.db2.gz XYXZWLQNKIYORZ-UHFFFAOYSA-N 1 1 296.798 3.093 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC(C[N@@H+](C)CC(=C)C)CC1 ZINC001317875833 933661673 /nfs/dbraw/zinc/66/16/73/933661673.db2.gz NBFJZMMXGUDXKZ-MRXNPFEDSA-N 1 1 292.467 3.335 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)C2CC2)C1 ZINC001317926092 933665678 /nfs/dbraw/zinc/66/56/78/933665678.db2.gz AWTJJXIGQIWLFP-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@](C)(CC)CCC)C1 ZINC001317948045 933667786 /nfs/dbraw/zinc/66/77/86/933667786.db2.gz OMINBILEJZHLMV-WBVHZDCISA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CCC(=O)NC1C[NH+]([C@H](C)c2ccccc2C)C1 ZINC001318029336 933676095 /nfs/dbraw/zinc/67/60/95/933676095.db2.gz UJELNHSORRWYRZ-OAHLLOKOSA-N 1 1 286.419 3.213 20 30 CGEDMO C=CCC1(C(=O)NC2C[NH+](CCCC3CCC3)C2)CCC1 ZINC001318061365 933681775 /nfs/dbraw/zinc/68/17/75/933681775.db2.gz RIOVTCXEQNDNMX-UHFFFAOYSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cc(C)ccc1C ZINC001318190303 933692128 /nfs/dbraw/zinc/69/21/28/933692128.db2.gz KEXURFWQCRKPJY-ROUUACIJSA-N 1 1 298.430 3.055 20 30 CGEDMO C=CC(C)(C)CC(=O)N(C)[C@H]1CC[N@H+](C[C@H](C)CC)C1 ZINC001318406936 933720716 /nfs/dbraw/zinc/72/07/16/933720716.db2.gz LHOVMQJNUUKSFT-CABCVRRESA-N 1 1 280.456 3.168 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](N(C)C(=O)CCCC[C@@H](C)CC)C1 ZINC001318407658 933720971 /nfs/dbraw/zinc/72/09/71/933720971.db2.gz SCYXBDCFYZFSRT-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N(C)[C@@H]1CC[N@@H+](CCCCCF)C1 ZINC001318430347 933724469 /nfs/dbraw/zinc/72/44/69/933724469.db2.gz ZHAQNURMCFKMQU-WBVHZDCISA-N 1 1 298.446 3.261 20 30 CGEDMO C=CCCCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001318423311 933725056 /nfs/dbraw/zinc/72/50/56/933725056.db2.gz DSZOHCNFOWRGDB-OAHLLOKOSA-N 1 1 292.448 3.137 20 30 CGEDMO CC[N@H+]1CCC(N=Nc2ccccc2Cl)[C@H](C)C1 ZINC001318672206 933761882 /nfs/dbraw/zinc/76/18/82/933761882.db2.gz UFOLLGAHBHHPTA-LLVKDONJSA-N 1 1 265.788 3.470 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)CCCC)CC2 ZINC001319140001 933831844 /nfs/dbraw/zinc/83/18/44/933831844.db2.gz NVPZNIXODCYSGR-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO CN(C)c1ccc(C=[NH+]NCc2ccc(F)cc2)cc1F ZINC001319373684 933864511 /nfs/dbraw/zinc/86/45/11/933864511.db2.gz YDRVGDASSZKHRG-UHFFFAOYSA-N 1 1 289.329 3.155 20 30 CGEDMO C#CC[N@@H+](CC(=O)Nc1c(CC)cccc1CC)CC1CC1 ZINC001319458018 933878685 /nfs/dbraw/zinc/87/86/85/933878685.db2.gz GKBZVZDMAODUAT-UHFFFAOYSA-N 1 1 298.430 3.095 20 30 CGEDMO C#CC[N@H+](CC(=O)Nc1c(CC)cccc1CC)CC1CC1 ZINC001319458018 933878690 /nfs/dbraw/zinc/87/86/90/933878690.db2.gz GKBZVZDMAODUAT-UHFFFAOYSA-N 1 1 298.430 3.095 20 30 CGEDMO C=CCN(C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)c1ccccc1 ZINC001468644500 937730155 /nfs/dbraw/zinc/73/01/55/937730155.db2.gz VFRVTBNJGXJQRB-DLBZAZTESA-N 1 1 284.403 3.223 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC001320037684 933986012 /nfs/dbraw/zinc/98/60/12/933986012.db2.gz HQHNOQBKQVPVDG-CYBMUJFWSA-N 1 1 283.318 3.065 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)CCC1CCCCC1 ZINC001320078996 933992949 /nfs/dbraw/zinc/99/29/49/933992949.db2.gz PRIMFGUWCISBEW-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)/C(C)=C/CC)CC[C@H]21 ZINC001320097474 933998820 /nfs/dbraw/zinc/99/88/20/933998820.db2.gz MJEZQARHEYBTOV-DWDUUHQUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCCC)CC[C@H]21 ZINC001320093987 933998952 /nfs/dbraw/zinc/99/89/52/933998952.db2.gz BXZZGWIICWCFDR-HUUCEWRRSA-N 1 1 298.858 3.242 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](CCOc2ccc(SC)cc2)C1 ZINC001320320799 934029037 /nfs/dbraw/zinc/02/90/37/934029037.db2.gz JIYWWDKHOBLZHA-OAHLLOKOSA-N 1 1 293.432 3.064 20 30 CGEDMO C[N@@H+](CCCNc1cccc(CC#N)n1)C1CCCCC1 ZINC001320364792 934036856 /nfs/dbraw/zinc/03/68/56/934036856.db2.gz SYESJWNVRWDKLY-UHFFFAOYSA-N 1 1 286.423 3.214 20 30 CGEDMO C#CC[N@H+](Cc1ccc2nc(C)ccc2c1)CC1CC1 ZINC001320576785 934067880 /nfs/dbraw/zinc/06/78/80/934067880.db2.gz FWWRNHMOYGLPSA-UHFFFAOYSA-N 1 1 264.372 3.388 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](CCCc2cccc(C)c2)C1 ZINC001320899719 934119459 /nfs/dbraw/zinc/11/94/59/934119459.db2.gz VVEBZAYGYKCDRF-QGZVFWFLSA-N 1 1 259.393 3.205 20 30 CGEDMO CC[C@H](N[C@H]1CCCC[C@@H]1[NH+](C)C)c1ccc(C#N)cc1 ZINC001321282538 934172224 /nfs/dbraw/zinc/17/22/24/934172224.db2.gz KWLKQENCGOPRLZ-BZSNNMDCSA-N 1 1 285.435 3.472 20 30 CGEDMO C=CC[N@H+](C)Cc1sc(N2CCCCC2)nc1C ZINC001321503956 934190262 /nfs/dbraw/zinc/19/02/62/934190262.db2.gz AFIBCDCUPGYDJH-UHFFFAOYSA-N 1 1 265.426 3.060 20 30 CGEDMO C=CCCC(=O)N[C@@H](C)C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001322124457 934247849 /nfs/dbraw/zinc/24/78/49/934247849.db2.gz SJGWAKJHQKWEMP-WMLDXEAASA-N 1 1 286.419 3.077 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)c1c(C)cccc1C ZINC001322246942 934263173 /nfs/dbraw/zinc/26/31/73/934263173.db2.gz BLRWROXYWXGFKH-INIZCTEOSA-N 1 1 288.435 3.320 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc(C)cc(F)c1 ZINC001322250293 934265812 /nfs/dbraw/zinc/26/58/12/934265812.db2.gz SIKVFYXEUUQCQX-CQSZACIVSA-N 1 1 292.398 3.150 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(CC)cc1 ZINC001322284597 934271486 /nfs/dbraw/zinc/27/14/86/934271486.db2.gz CTFRUCLWGMKIQS-OAHLLOKOSA-N 1 1 288.435 3.265 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)CCc1cccs1 ZINC001322295174 934273153 /nfs/dbraw/zinc/27/31/53/934273153.db2.gz ZUQDGUSKTTZNKO-AWEZNQCLSA-N 1 1 294.464 3.083 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2ncc(C(C)(C)C)s2)C1 ZINC001322337072 934283003 /nfs/dbraw/zinc/28/30/03/934283003.db2.gz GMQPDRBUJGGBKC-GFCCVEGCSA-N 1 1 280.437 3.218 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ncc(C(C)(C)C)s2)C1 ZINC001322337072 934283012 /nfs/dbraw/zinc/28/30/12/934283012.db2.gz GMQPDRBUJGGBKC-GFCCVEGCSA-N 1 1 280.437 3.218 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CNC(=O)c1cc(Cl)cs1 ZINC001323316701 934383420 /nfs/dbraw/zinc/38/34/20/934383420.db2.gz BGXKTCXGVXSDIU-LBPRGKRZSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CC[N@@H+]2CCC(=C)C)CCCC1 ZINC001323369866 934390296 /nfs/dbraw/zinc/39/02/96/934390296.db2.gz DLQHQHCHGBACHN-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CCCC)CC2)C1 ZINC001323628334 934414159 /nfs/dbraw/zinc/41/41/59/934414159.db2.gz KWKPBIZMVPVVTB-QGZVFWFLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)[C@H](F)CC)C1CCCCCC1 ZINC001323720995 934420031 /nfs/dbraw/zinc/42/00/31/934420031.db2.gz ASUOMJFZEMJANO-MRXNPFEDSA-N 1 1 298.446 3.452 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2csc(-c3ccco3)n2)C1 ZINC001323730950 934421629 /nfs/dbraw/zinc/42/16/29/934421629.db2.gz VNTKIEPWOWUHTP-ZDUSSCGKSA-N 1 1 290.388 3.180 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2csc(-c3ccco3)n2)C1 ZINC001323730950 934421635 /nfs/dbraw/zinc/42/16/35/934421635.db2.gz VNTKIEPWOWUHTP-ZDUSSCGKSA-N 1 1 290.388 3.180 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2csc(-c3ccco3)n2)C1 ZINC001323730948 934421743 /nfs/dbraw/zinc/42/17/43/934421743.db2.gz VNTKIEPWOWUHTP-CYBMUJFWSA-N 1 1 290.388 3.180 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2csc(-c3ccco3)n2)C1 ZINC001323730948 934421750 /nfs/dbraw/zinc/42/17/50/934421750.db2.gz VNTKIEPWOWUHTP-CYBMUJFWSA-N 1 1 290.388 3.180 20 30 CGEDMO C=CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1CC)C1CCCCCC1 ZINC001323721433 934421915 /nfs/dbraw/zinc/42/19/15/934421915.db2.gz HMSDOBSFRCENHQ-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)CCCNC(=O)[C@H]1CCC[N@H+](C(C)C)C1 ZINC001471718190 937768628 /nfs/dbraw/zinc/76/86/28/937768628.db2.gz PCYIUISKVYDCBA-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)/C(C)=C\CC)C2)C1 ZINC001323798761 934426721 /nfs/dbraw/zinc/42/67/21/934426721.db2.gz CXHRBTFKNIACBL-FAKSIROFSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@](C)(F)CCCC)C2)C1 ZINC001323857552 934432695 /nfs/dbraw/zinc/43/26/95/934432695.db2.gz JJQXEMCTYFYTOT-SJORKVTESA-N 1 1 296.430 3.015 20 30 CGEDMO CC#CC[N@@H+]1CC[C@](C)(NC(=O)C[C@H](C)CCCCC)C1 ZINC001324655370 934541194 /nfs/dbraw/zinc/54/11/94/934541194.db2.gz BWLKIEPDEXNEQO-AEFFLSMTSA-N 1 1 292.467 3.197 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](C)CCCCCC)C1 ZINC001324657919 934542097 /nfs/dbraw/zinc/54/20/97/934542097.db2.gz UPOCDCCTZFCPMK-FUHWJXTLSA-N 1 1 292.467 3.197 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](CC)CCCCC)C1 ZINC001324674476 934546499 /nfs/dbraw/zinc/54/64/99/934546499.db2.gz QIRFMYPFQHQQCP-FUHWJXTLSA-N 1 1 292.467 3.197 20 30 CGEDMO N#Cc1c(Cl)nsc1Nc1ccc2[nH+]ccn2c1 ZINC001472838014 937786142 /nfs/dbraw/zinc/78/61/42/937786142.db2.gz OLAXZDPWDJIFHH-UHFFFAOYSA-N 1 1 275.724 3.059 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)C[C@@H](O)c1cccc(C)c1 ZINC001473318429 937801802 /nfs/dbraw/zinc/80/18/02/937801802.db2.gz CXSBWEVZATYBTQ-GOSISDBHSA-N 1 1 285.387 3.352 20 30 CGEDMO Cc1ccc(C)c([C@@H](C)[NH2+]Cc2ccncc2C#N)c1 ZINC001473349917 937802316 /nfs/dbraw/zinc/80/23/16/937802316.db2.gz RGRZIIZPVOYDJL-CQSZACIVSA-N 1 1 265.360 3.421 20 30 CGEDMO C=C(CC)C[N@@H+]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001473397536 937805151 /nfs/dbraw/zinc/80/51/51/937805151.db2.gz YYBDWVLCTRFONW-GASCZTMLSA-N 1 1 294.439 3.426 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC001473454750 937807847 /nfs/dbraw/zinc/80/78/47/937807847.db2.gz UMZPQNJFFUSOCR-SQNIBIBYSA-N 1 1 269.388 3.079 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC001325228062 934897378 /nfs/dbraw/zinc/89/73/78/934897378.db2.gz JWDLQMKLJBMZTK-CYBMUJFWSA-N 1 1 269.747 3.256 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC001325228062 934897383 /nfs/dbraw/zinc/89/73/83/934897383.db2.gz JWDLQMKLJBMZTK-CYBMUJFWSA-N 1 1 269.747 3.256 20 30 CGEDMO C#CC[N@H+](CC1CCC(C)(C)CC1)C1CSC1 ZINC001473629805 937814519 /nfs/dbraw/zinc/81/45/19/937814519.db2.gz IPSYNWBVRWILTD-UHFFFAOYSA-N 1 1 251.439 3.253 20 30 CGEDMO CN(CCC[N@@H+](C)[C@H]1CCC[C@H]1C#N)c1ccccc1 ZINC001473708372 937817969 /nfs/dbraw/zinc/81/79/69/937817969.db2.gz UKYJEJHAVGZCHH-RDJZCZTQSA-N 1 1 271.408 3.137 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)CC)CC1 ZINC001327147703 935036351 /nfs/dbraw/zinc/03/63/51/935036351.db2.gz PKUKHLWMERJJML-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC(C)(C)C(=O)N(C)CCC[N@H+](C)C[C@H](C)CC ZINC001327245739 935048137 /nfs/dbraw/zinc/04/81/37/935048137.db2.gz OUAPSRBEKRBXQF-CQSZACIVSA-N 1 1 268.445 3.025 20 30 CGEDMO CC[N@H+]1CCC[C@H](CNc2cc(Cl)ccc2C#N)C1 ZINC001327617594 935074391 /nfs/dbraw/zinc/07/43/91/935074391.db2.gz VLSFGOXOHCYBGH-GFCCVEGCSA-N 1 1 277.799 3.355 20 30 CGEDMO C=CCn1cnn(C[N@H+](CCC2CC2)CC2CC2)c1=S ZINC001327702161 935079393 /nfs/dbraw/zinc/07/93/93/935079393.db2.gz HJOFRNFIJDJELA-UHFFFAOYSA-N 1 1 292.452 3.070 20 30 CGEDMO C=CCn1cnn(C[N@@H+](CCC2CC2)CC2CC2)c1=S ZINC001327702161 935079399 /nfs/dbraw/zinc/07/93/99/935079399.db2.gz HJOFRNFIJDJELA-UHFFFAOYSA-N 1 1 292.452 3.070 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H](F)C(C)C)C(C)(C)C1 ZINC001328104060 935117273 /nfs/dbraw/zinc/11/72/73/935117273.db2.gz ZGYDQTDAILNVIQ-LSDHHAIUSA-N 1 1 298.446 3.163 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CCCF)CC1(C)C ZINC001328101965 935117381 /nfs/dbraw/zinc/11/73/81/935117381.db2.gz JEQFWSFEMUEFIT-CQSZACIVSA-N 1 1 298.446 3.165 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1CC[N@H+](CC/C=C/CC)[C@H](C)C1 ZINC001328240622 935126912 /nfs/dbraw/zinc/12/69/12/935126912.db2.gz PVNUPPPGJNERAE-WPLBAPSMSA-N 1 1 290.451 3.115 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1CC[N@H+](CCCCCC)[C@@H](C)C1 ZINC001328242046 935127216 /nfs/dbraw/zinc/12/72/16/935127216.db2.gz VVLJXCMSWFEWDU-DLBZAZTESA-N 1 1 292.467 3.339 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC(=C)C)[C@H](C)C1 ZINC001328281683 935128267 /nfs/dbraw/zinc/12/82/67/935128267.db2.gz XGLZLCJDTPWFHK-HUUCEWRRSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CC[N@H+](CC)CC1CCN(C(=O)C[C@H]2C=CCC2)CC1 ZINC001328568307 935148158 /nfs/dbraw/zinc/14/81/58/935148158.db2.gz UQGJGNHQCGYXNR-INIZCTEOSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@H+](CC)CC1CCN(C(=O)CC2(C)CC2)CC1 ZINC001328578766 935149091 /nfs/dbraw/zinc/14/90/91/935149091.db2.gz PCDAKRCWWDLHDO-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C)C(C)(C)C ZINC001328732509 935164041 /nfs/dbraw/zinc/16/40/41/935164041.db2.gz GVVNGPBAWLGQLN-GJZGRUSLSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]([C@@H]2CC[N@H+](CCC)C2)C1 ZINC001328808170 935171000 /nfs/dbraw/zinc/17/10/00/935171000.db2.gz OJOXGGURCGHBPZ-DLBZAZTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1C[N@H+](C[C@@H](C)CC)CC1(C)C ZINC001330204733 935276645 /nfs/dbraw/zinc/27/66/45/935276645.db2.gz WFUKASYFCAQNFH-GJZGRUSLSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)CC(C)C)C(C)(C)C1 ZINC001330243473 935280276 /nfs/dbraw/zinc/28/02/76/935280276.db2.gz GMBICQQQSALKTO-JKSUJKDBSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)[C@@H]2CCCC[C@@H]2C)CC1 ZINC001331038478 935344528 /nfs/dbraw/zinc/34/45/28/935344528.db2.gz HGFALLHQDJBBIS-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CC[N@H+](CCC(=O)Nc1ccc(Cl)cc1)CC1CC1 ZINC001331328547 935370328 /nfs/dbraw/zinc/37/03/28/935370328.db2.gz XLLLVTDRRHXVDQ-UHFFFAOYSA-N 1 1 290.794 3.014 20 30 CGEDMO C=C(C)CCC(=O)N[C@@]12CCC[C@@H]1[N@@H+](CCC(=C)C)CC2 ZINC001332091017 935438609 /nfs/dbraw/zinc/43/86/09/935438609.db2.gz OJSFFUBMTVTHLZ-FUHWJXTLSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCCC(=O)N[C@@]12CCC[C@@H]1[N@@H+](CCCCC)CC2 ZINC001332081970 935438725 /nfs/dbraw/zinc/43/87/25/935438725.db2.gz MZZZCBSGKVHMLI-DOTOQJQBSA-N 1 1 278.440 3.256 20 30 CGEDMO C=C(C)CCC(=O)N[C@@]12CCC[C@@H]1[N@@H+](CC(=C)C)CC2 ZINC001332090674 935438764 /nfs/dbraw/zinc/43/87/64/935438764.db2.gz MUMCSFGMSLZYJO-DOTOQJQBSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)CCC3CC3)CCC[C@@H]12 ZINC001332082642 935438776 /nfs/dbraw/zinc/43/87/76/935438776.db2.gz PFYPOZDGDKQHNR-SJLPKXTDSA-N 1 1 290.451 3.256 20 30 CGEDMO C=CCCCC(=O)N[C@]12CCC[C@@H]1[N@@H+](C/C=C/Cl)CC2 ZINC001332111757 935440265 /nfs/dbraw/zinc/44/02/65/935440265.db2.gz NTQAEGYVBLTZLI-ACDMVRAZSA-N 1 1 296.842 3.208 20 30 CGEDMO C=CCCCC(=O)N[C@]12CCC[C@@H]1[N@@H+](C/C=C\Cl)CC2 ZINC001332111785 935440617 /nfs/dbraw/zinc/44/06/17/935440617.db2.gz NTQAEGYVBLTZLI-UNEBQYNTSA-N 1 1 296.842 3.208 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CCC[N@H+](CCC)[C@H]1C ZINC001332186467 935447512 /nfs/dbraw/zinc/44/75/12/935447512.db2.gz TWTVSSVPYIHIIU-HOCLYGCPSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CCC[N@H+](CC(C)C)[C@H]2C)CCC1 ZINC001332199656 935449329 /nfs/dbraw/zinc/44/93/29/935449329.db2.gz QYQNPSSCHZVNIO-HOTGVXAUSA-N 1 1 292.467 3.358 20 30 CGEDMO CC(C)n1cc2c(n1)[C@H]([NH2+]CC#Cc1ccccc1)CCC2 ZINC001334217338 936091297 /nfs/dbraw/zinc/09/12/97/936091297.db2.gz KLFPNEZWTUDJRJ-GOSISDBHSA-N 1 1 293.414 3.483 20 30 CGEDMO C[N@@H+](CCCC(F)(F)F)CCc1cccc(C#N)c1 ZINC001335499478 936149562 /nfs/dbraw/zinc/14/95/62/936149562.db2.gz KNSOEBHRZSUINH-UHFFFAOYSA-N 1 1 270.298 3.375 20 30 CGEDMO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2cncc(C#N)c2)o1 ZINC001335800298 936161524 /nfs/dbraw/zinc/16/15/24/936161524.db2.gz HMCYGGYJSHHCAR-INIZCTEOSA-N 1 1 297.358 3.030 20 30 CGEDMO COCc1ccc([C@@H]2CCC[N@H+]2Cc2cncc(C#N)c2)o1 ZINC001335800298 936161527 /nfs/dbraw/zinc/16/15/27/936161527.db2.gz HMCYGGYJSHHCAR-INIZCTEOSA-N 1 1 297.358 3.030 20 30 CGEDMO C[C@@]12CSC[C@@H]1C[N@@H+](CC#Cc1ccccc1Cl)C2 ZINC001473861759 937825829 /nfs/dbraw/zinc/82/58/29/937825829.db2.gz KGQCKOGHIHXDEY-GOEBONIOSA-N 1 1 291.847 3.376 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@H](C3CCCC3)C2)CCC1 ZINC001473888883 937827950 /nfs/dbraw/zinc/82/79/50/937827950.db2.gz XTVIHTQIVAINRL-DLBZAZTESA-N 1 1 290.451 3.333 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1ccc(OCC)c(OCC)c1 ZINC001474018496 937836038 /nfs/dbraw/zinc/83/60/38/937836038.db2.gz QPDGGFAZWPDUQA-UHFFFAOYSA-N 1 1 269.772 3.326 20 30 CGEDMO Cc1cc(C[N@H+](CCO)[C@@H](C)c2ccccc2)ccc1C#N ZINC001474335877 937853011 /nfs/dbraw/zinc/85/30/11/937853011.db2.gz KKCDHMCVGUSYKC-INIZCTEOSA-N 1 1 294.398 3.422 20 30 CGEDMO C#Cc1ccc(C[N@@H+](C)CCOc2ccccc2C)cc1 ZINC001474405924 937857873 /nfs/dbraw/zinc/85/78/73/937857873.db2.gz JPFYMIYUJHBUPZ-UHFFFAOYSA-N 1 1 279.383 3.487 20 30 CGEDMO CN(C)c1ccc(C#N)cc1C[N@@H+]1CCc2sccc2C1 ZINC001474410164 937858157 /nfs/dbraw/zinc/85/81/57/937858157.db2.gz HHJSMZHEDBLVHI-UHFFFAOYSA-N 1 1 297.427 3.244 20 30 CGEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CCc2sccc2C1 ZINC001474410164 937858158 /nfs/dbraw/zinc/85/81/58/937858158.db2.gz HHJSMZHEDBLVHI-UHFFFAOYSA-N 1 1 297.427 3.244 20 30 CGEDMO C#C[C@H]([NH2+]Cc1cc(Br)cnc1F)C(C)(C)C ZINC001474563577 937867454 /nfs/dbraw/zinc/86/74/54/937867454.db2.gz UCVLVPCJJGJOCP-NSHDSACASA-N 1 1 299.187 3.121 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2c(Cl)n[nH]c2CC)C1 ZINC001474619589 937870955 /nfs/dbraw/zinc/87/09/55/937870955.db2.gz ZPDBWKFAPCZREE-NSHDSACASA-N 1 1 267.804 3.414 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CC2(CCCOC)CCC2)C1 ZINC001474647351 937872793 /nfs/dbraw/zinc/87/27/93/937872793.db2.gz NXSFHMFGRGEMAP-HNNXBMFYSA-N 1 1 251.414 3.481 20 30 CGEDMO Oc1ccc(Cl)c(C[NH2+]CC#Cc2ccccc2)c1 ZINC001474686075 937875445 /nfs/dbraw/zinc/87/54/45/937875445.db2.gz KZHKOIYMAUOJSX-UHFFFAOYSA-N 1 1 271.747 3.187 20 30 CGEDMO C#CC[N@@H+](C)CCCc1c(Cl)cccc1Cl ZINC001474733704 937877586 /nfs/dbraw/zinc/87/75/86/937877586.db2.gz NXYZXMZMROTRKL-UHFFFAOYSA-N 1 1 256.176 3.491 20 30 CGEDMO CC#CC[N@@H+](C)Cc1cc2ccnc(Cl)c2s1 ZINC001474734116 937878107 /nfs/dbraw/zinc/87/81/07/937878107.db2.gz HMBNBSINEREAKC-UHFFFAOYSA-N 1 1 264.781 3.405 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CCCC#CC ZINC001479235436 937917845 /nfs/dbraw/zinc/91/78/45/937917845.db2.gz ISXJKDPNUISPOL-IRXDYDNUSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCCCC ZINC001479245283 937918137 /nfs/dbraw/zinc/91/81/37/937918137.db2.gz ZYTFMXJTWMVPHO-RDJZCZTQSA-N 1 1 280.456 3.312 20 30 CGEDMO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)CCCCCC ZINC001479260576 937918483 /nfs/dbraw/zinc/91/84/83/937918483.db2.gz WQPSIGIFBDGORL-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)CCCCCC ZINC001479260576 937918485 /nfs/dbraw/zinc/91/84/85/937918485.db2.gz WQPSIGIFBDGORL-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(CC)CCCCC1 ZINC001479270053 937918723 /nfs/dbraw/zinc/91/87/23/937918723.db2.gz KXLXSHIZANQERE-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C#CCCCC(=O)N[C@H]1CC[N@H+](CC(CC)CC)[C@@H]1CC ZINC001479634003 937923236 /nfs/dbraw/zinc/92/32/36/937923236.db2.gz UPADVGFQBOVPIV-DLBZAZTESA-N 1 1 292.467 3.195 20 30 CGEDMO C=C(C)CCC(=O)N1C[C@@H]2C[N@@H+](CCC(C)C)CC[C@@H]2C1 ZINC001479667621 937923660 /nfs/dbraw/zinc/92/36/60/937923660.db2.gz VXGPWWREDMHGJI-SJORKVTESA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+](C)CCCNC(=O)c1cccc2ccccc21 ZINC001479811366 937926229 /nfs/dbraw/zinc/92/62/29/937926229.db2.gz NDTAAIJOIVVPRC-UHFFFAOYSA-N 1 1 282.387 3.078 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001479907721 937928845 /nfs/dbraw/zinc/92/88/45/937928845.db2.gz BFSOZCCDEPEFLT-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)C2(F)CCCC2)C1 ZINC001479957298 937929613 /nfs/dbraw/zinc/92/96/13/937929613.db2.gz SDCNDIXFVSXHKH-HNNXBMFYSA-N 1 1 296.430 3.206 20 30 CGEDMO C=CCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCCC ZINC001480177039 937933470 /nfs/dbraw/zinc/93/34/70/937933470.db2.gz FKVCPCWRZZKPSR-MQVJKMGUSA-N 1 1 278.440 3.254 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]2C[N@H+](CC(=C)Cl)CC[C@H]21 ZINC001480184221 937934073 /nfs/dbraw/zinc/93/40/73/937934073.db2.gz LLJIXSOTGSKLHK-HUUCEWRRSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]2C[N@@H+](CC(=C)Cl)CC[C@H]21 ZINC001480184221 937934075 /nfs/dbraw/zinc/93/40/75/937934075.db2.gz LLJIXSOTGSKLHK-HUUCEWRRSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)C[C@H](C)C2CC2)C1 ZINC001480272535 937935549 /nfs/dbraw/zinc/93/55/49/937935549.db2.gz VFANPDOZHDJMJH-JSGCOSHPSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)C[C@H](C)C2CC2)C1 ZINC001480272535 937935550 /nfs/dbraw/zinc/93/55/50/937935550.db2.gz VFANPDOZHDJMJH-JSGCOSHPSA-N 1 1 298.858 3.003 20 30 CGEDMO C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C1(C2CC2)CC1 ZINC001480319314 937936259 /nfs/dbraw/zinc/93/62/59/937936259.db2.gz IKKFBTRGXAXDCA-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CC=CC2)C1 ZINC001480379732 937937631 /nfs/dbraw/zinc/93/76/31/937937631.db2.gz ZKTYHCVVSJYQMU-DOTOQJQBSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H]1CCCNC(=O)C=C1CCC1 ZINC001480820524 937944828 /nfs/dbraw/zinc/94/48/28/937944828.db2.gz IPFYISRPPXKWDC-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)C12CCC(CC1)C2 ZINC001480826148 937945095 /nfs/dbraw/zinc/94/50/95/937945095.db2.gz NLQXEXQKQLTVKJ-PQUAAJSLSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1CCCNC(=O)C1CCC=CCC1 ZINC001480833589 937945542 /nfs/dbraw/zinc/94/55/42/937945542.db2.gz VMMNKLQOHPFISX-QGZVFWFLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C1CC(C)(C(=O)NCC[N@H+](CC)C[C@@H](C)CC(C)C)C1 ZINC001493017312 937946205 /nfs/dbraw/zinc/94/62/05/937946205.db2.gz WDTSLRRHSQGDNV-HNNXBMFYSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)c1cccc2[nH]ccc21 ZINC001493020267 937946321 /nfs/dbraw/zinc/94/63/21/937946321.db2.gz SJHXQKJEGMRXCT-UHFFFAOYSA-N 1 1 299.418 3.186 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)[C@@H](C)c1ccccc1 ZINC001493045400 937946844 /nfs/dbraw/zinc/94/68/44/937946844.db2.gz SDDVUJFHZBYSMH-INIZCTEOSA-N 1 1 288.435 3.194 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)[C@@]1(C)CCC[C@H]1C ZINC001493313765 937949744 /nfs/dbraw/zinc/94/97/44/937949744.db2.gz HIDCQBSVTILRJC-WBVHZDCISA-N 1 1 280.456 3.217 20 30 CGEDMO CC#CC[N@@H+](CCCNC(=O)[C@@H]1CCCC[C@@H]1C)C(C)C ZINC001493870379 937951637 /nfs/dbraw/zinc/95/16/37/937951637.db2.gz JLRKBDKPDRKXDP-DLBZAZTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)/C(C)=C/CC)C1 ZINC001493939237 937952207 /nfs/dbraw/zinc/95/22/07/937952207.db2.gz KOPSGIBCAHHCNY-AHQMPEJBSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)C(CC)CC)C1 ZINC001493937936 937952212 /nfs/dbraw/zinc/95/22/12/937952212.db2.gz BZFPTMCCQZWICJ-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](C[C@H](C)CC(C)C)C1 ZINC001494281564 937954077 /nfs/dbraw/zinc/95/40/77/937954077.db2.gz CNRWETIKHKQERL-HZPDHXFCSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CCCCCC)C1 ZINC001494329379 937954245 /nfs/dbraw/zinc/95/42/45/937954245.db2.gz VALLFUXSAXXCEO-HNNXBMFYSA-N 1 1 266.429 3.114 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)c2ccccc2F)C1 ZINC001494333206 937954374 /nfs/dbraw/zinc/95/43/74/937954374.db2.gz LTWUQUWNNOZAGO-UHFFFAOYSA-N 1 1 292.398 3.210 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)CCCC ZINC001494643103 937955393 /nfs/dbraw/zinc/95/53/93/937955393.db2.gz LEABNZLQRABWKZ-JYJNAYRXSA-N 1 1 278.440 3.064 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC12CC2 ZINC001494675068 937955530 /nfs/dbraw/zinc/95/55/30/937955530.db2.gz WZCPUBQQXSFPQX-HRCADAONSA-N 1 1 290.451 3.042 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C(CC)CC)C1 ZINC001494715085 937955839 /nfs/dbraw/zinc/95/58/39/937955839.db2.gz JZADNNITRVNJCC-HOCLYGCPSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[N@@H+](C/C=C\c2ccccc2)C1 ZINC001494770480 937956391 /nfs/dbraw/zinc/95/63/91/937956391.db2.gz RUJXYQMRRVBEMO-SDMNGIDPSA-N 1 1 298.430 3.103 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](CC=C)c2ccccc2)C1 ZINC001494792747 937956433 /nfs/dbraw/zinc/95/64/33/937956433.db2.gz PHRGABUUSUPJMO-MSOLQXFVSA-N 1 1 298.430 3.113 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)CCC)C1 ZINC001494842964 937956753 /nfs/dbraw/zinc/95/67/53/937956753.db2.gz VZNBKZLGSFWYQR-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)C[C@H](C)c1ccccc1 ZINC001496831256 937964139 /nfs/dbraw/zinc/96/41/39/937964139.db2.gz LBTVAFXWQBYYON-INIZCTEOSA-N 1 1 288.435 3.147 20 30 CGEDMO CC#CC[N@H+](C)CCN(C)C(=O)[C@@H](CC)CC1CCCC1 ZINC001496793946 937964155 /nfs/dbraw/zinc/96/41/55/937964155.db2.gz POWXISVKRAOARZ-KRWDZBQOSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)[C@@H](F)CC1CCCCC1 ZINC001496817354 937964397 /nfs/dbraw/zinc/96/43/97/937964397.db2.gz XJBGEQFFTDKJJM-INIZCTEOSA-N 1 1 298.446 3.261 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)/C=C(\C)CC)CC[C@H]21 ZINC001496859416 937964525 /nfs/dbraw/zinc/96/45/25/937964525.db2.gz QXCCSRCJGPMLTF-OMYPGEHRSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001498284772 937968920 /nfs/dbraw/zinc/96/89/20/937968920.db2.gz YDULUAZAUDXEFC-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC1(C(=O)N[C@@H](C)C[N@H+](C)C[C@H](C)CC)CCC1 ZINC001498377050 937969478 /nfs/dbraw/zinc/96/94/78/937969478.db2.gz UUJUFOQXWRWQDE-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)c1cccc2ccccc21 ZINC001498442429 937969715 /nfs/dbraw/zinc/96/97/15/937969715.db2.gz AUPWXJKHMKXZLO-HNNXBMFYSA-N 1 1 296.414 3.466 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(Cl)cc1 ZINC001499106911 937972673 /nfs/dbraw/zinc/97/26/73/937972673.db2.gz NHECXBKPTMWQAR-OAHLLOKOSA-N 1 1 292.810 3.110 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H](C)CC ZINC001499511936 937973695 /nfs/dbraw/zinc/97/36/95/937973695.db2.gz MYLJMCBIDCLZIO-BBWFWOEESA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC(=O)N1CCC([N@@H+](CC(C)C)CC2CC2)CC1 ZINC001499525393 937973742 /nfs/dbraw/zinc/97/37/42/937973742.db2.gz BCCHLVZHGDSNQL-UHFFFAOYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)CCC3CC3)C2)C1 ZINC001499598139 937973997 /nfs/dbraw/zinc/97/39/97/937973997.db2.gz RKRDLYZUXZOKST-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC ZINC001500147223 937975968 /nfs/dbraw/zinc/97/59/68/937975968.db2.gz AIGTZGVMXOLJER-BBWFWOEESA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](C)CCC)C1 ZINC001500485254 937977472 /nfs/dbraw/zinc/97/74/72/937977472.db2.gz JMMBUUIDDHALLU-WBVHZDCISA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC1(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CC)CCCC1 ZINC001501407895 937979428 /nfs/dbraw/zinc/97/94/28/937979428.db2.gz KRYWGZMCWBUCFS-CVEARBPZSA-N 1 1 290.451 3.208 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C)CC(C)C)CC1 ZINC001502143334 937981531 /nfs/dbraw/zinc/98/15/31/937981531.db2.gz QNXPOBNKNBMJSQ-IRXDYDNUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C(C)(CC)CC)CC1 ZINC001502147337 937981627 /nfs/dbraw/zinc/98/16/27/937981627.db2.gz HHVHDAJTZDRPAY-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@@H+]1Cc2ccc(CNC(=O)C3(C)CC3)cc2C1 ZINC001502648085 937982709 /nfs/dbraw/zinc/98/27/09/937982709.db2.gz FFMQAVJVBVMOQS-UHFFFAOYSA-N 1 1 298.430 3.385 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)CCC)C(C)(C)C1 ZINC001502820179 937983431 /nfs/dbraw/zinc/98/34/31/937983431.db2.gz IDKWRQMTWBEEHO-CVEARBPZSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C=C(CC)CC)C(C)(C)C1 ZINC001502823925 937983478 /nfs/dbraw/zinc/98/34/78/937983478.db2.gz QNLMKHGMQZQGBM-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2coc(C)c2)C[C@@H]1C ZINC001502910385 937983741 /nfs/dbraw/zinc/98/37/41/937983741.db2.gz LQIZURHQJLZELV-XJKSGUPXSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCC[N@H+](CC)CC1CCN(C(=O)CC(C)C)CC1 ZINC001505393536 937984857 /nfs/dbraw/zinc/98/48/57/937984857.db2.gz AFCBTVGILFMYEV-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C1CCCCC1 ZINC001505419052 937985326 /nfs/dbraw/zinc/98/53/26/937985326.db2.gz HKLIDLPOHQRPOI-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C/C(C)=C\CC(=O)N1CCC[C@@H]1C[N@H+](C)CC(=C)C ZINC001505441426 937985527 /nfs/dbraw/zinc/98/55/27/937985527.db2.gz CYMUCGWISMNQSH-QOBZYLRHSA-N 1 1 276.424 3.008 20 30 CGEDMO C#CC[N@H+](C)[C@H](C)CNC(=O)CC(C)(C)C1CCCCC1 ZINC001506038426 937988915 /nfs/dbraw/zinc/98/89/15/937988915.db2.gz JPSHSFSHICMQAN-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)CCC2CCC2)C(C)(C)C1 ZINC001506735238 937991536 /nfs/dbraw/zinc/99/15/36/937991536.db2.gz ADWIVTBDWALLPR-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)C[C@H](C)CCC)C(C)(C)C1 ZINC001506733609 937991742 /nfs/dbraw/zinc/99/17/42/937991742.db2.gz ZYNYRXIEWADSOC-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC([N@@H+](C)CCC(=C)C)CC1 ZINC001506960258 937993213 /nfs/dbraw/zinc/99/32/13/937993213.db2.gz LRNHQBPYYAFCDA-UHFFFAOYSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)CCC3CCCC3)CCC[C@@H]12 ZINC001507336335 937995241 /nfs/dbraw/zinc/99/52/41/937995241.db2.gz RPUQHBKZKYCOOF-AEFFLSMTSA-N 1 1 290.451 3.256 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)[C@H]1CC[C@@H](C)C1)C(C)C ZINC001507840552 937997188 /nfs/dbraw/zinc/99/71/88/937997188.db2.gz KIZBEENUMMKSPM-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(C2(NC(=O)C=C(C)C)CC2)CC1 ZINC001508157959 937998512 /nfs/dbraw/zinc/99/85/12/937998512.db2.gz ZKPHHBQKRPUUTM-UHFFFAOYSA-N 1 1 296.842 3.066 20 30 CGEDMO CC(C)C[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(CCC#N)cc1 ZINC001514604102 938002191 /nfs/dbraw/zinc/00/21/91/938002191.db2.gz KYEVJNMXBFURNI-QGZVFWFLSA-N 1 1 299.418 3.202 20 30 CGEDMO C=C(CC)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC001518788009 938016561 /nfs/dbraw/zinc/01/65/61/938016561.db2.gz KUTUEDOUVHVTBD-CQSZACIVSA-N 1 1 280.799 3.025 20 30 CGEDMO CCCCCCCC(=O)N1[C@H](C)C[N@@H+](C)[C@H](C)[C@@H]1C ZINC001527120334 938060231 /nfs/dbraw/zinc/06/02/31/938060231.db2.gz WMECZTNIJHQQHL-KFWWJZLASA-N 1 1 268.445 3.286 20 30 CGEDMO C=C1CCC(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001558259672 938214275 /nfs/dbraw/zinc/21/42/75/938214275.db2.gz CKDCDEVJNKGOSN-KRWDZBQOSA-N 1 1 286.419 3.152 20 30 CGEDMO Cc1ccnc(NC[C@H]2CC[N@H+]2C2CCCCCC2)c1C#N ZINC001559260693 938223753 /nfs/dbraw/zinc/22/37/53/938223753.db2.gz YQYUOJJTZKQGDO-MRXNPFEDSA-N 1 1 298.434 3.471 20 30 CGEDMO C=CC[C@H](C(=O)OC)[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC001559548843 938229312 /nfs/dbraw/zinc/22/93/12/938229312.db2.gz YZNNPANRBIDIGZ-DUVNUKRYSA-N 1 1 291.366 3.121 20 30 CGEDMO CC[C@@H]([NH2+]Cc1cc(C#N)ccn1)c1cc(F)ccc1F ZINC001559693957 938233048 /nfs/dbraw/zinc/23/30/48/938233048.db2.gz VHTJRKIFEHTZRO-MRXNPFEDSA-N 1 1 287.313 3.472 20 30 CGEDMO CCc1ccc([C@H]2CCC[N@@H+](CC#CCOC)C2)cc1 ZINC001559814396 938236444 /nfs/dbraw/zinc/23/64/44/938236444.db2.gz IOVMLYIITTXUJO-SFHVURJKSA-N 1 1 271.404 3.078 20 30 CGEDMO C=CC[C@H](C)[N@@H+](CC)CCOc1ccccc1OC ZINC001560030640 938242135 /nfs/dbraw/zinc/24/21/35/938242135.db2.gz DDNZNDWOQFUUQN-AWEZNQCLSA-N 1 1 263.381 3.361 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@@H]1[C@@H](C)c1ccccc1 ZINC001560163746 938245536 /nfs/dbraw/zinc/24/55/36/938245536.db2.gz ZWPFIYLNQZXCBE-DOTOQJQBSA-N 1 1 259.393 3.457 20 30 CGEDMO C#C[C@@H]1CCCC[N@@H+]1C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC001560209646 938247381 /nfs/dbraw/zinc/24/73/81/938247381.db2.gz UHPSBSGDLIDNAJ-CABCVRRESA-N 1 1 297.320 3.227 20 30 CGEDMO Cc1cccnc1[C@H](C)[NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001560220584 938247613 /nfs/dbraw/zinc/24/76/13/938247613.db2.gz BHZRBODNTLQDGB-LBPRGKRZSA-N 1 1 296.330 3.021 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC001560901170 938282930 /nfs/dbraw/zinc/28/29/30/938282930.db2.gz MNBPBQMGMYLODC-OAHLLOKOSA-N 1 1 269.388 3.247 20 30 CGEDMO C=CCCCC[C@H](C)[NH2+][C@@H](CC(=C)C)C(=O)OC ZINC001560968072 938287046 /nfs/dbraw/zinc/28/70/46/938287046.db2.gz VQZBNCKAQOSGAJ-KBPBESRZSA-N 1 1 253.386 3.219 20 30 CGEDMO Cc1ccc2cc[nH+]c(NCc3ncc(C#N)s3)c2c1 ZINC001161003798 958835841 /nfs/dbraw/zinc/83/58/41/958835841.db2.gz RQMIHYFSSODACC-UHFFFAOYSA-N 1 1 280.356 3.484 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](C(C)(C)c2ccnc(Cl)c2)C1 ZINC001165137713 958840685 /nfs/dbraw/zinc/84/06/85/958840685.db2.gz XDVKXTOGAFBYBR-GFCCVEGCSA-N 1 1 262.784 3.315 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@@]3(C2)CCCOC3)ccc1Cl ZINC001238191553 960411306 /nfs/dbraw/zinc/41/13/06/960411306.db2.gz NHQVNKFKIMRANR-MRXNPFEDSA-N 1 1 290.794 3.214 20 30 CGEDMO CC#CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCCC1(C)C ZINC001570218024 960456493 /nfs/dbraw/zinc/45/64/93/960456493.db2.gz IBBHJECXCAWXEZ-MRXNPFEDSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C(=O)[C@H]1CC12CCC2)C(C)C ZINC001571615218 960467757 /nfs/dbraw/zinc/46/77/57/960467757.db2.gz JXMITIXPKSZRRY-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)c1oc(C)cc1C)C(C)C ZINC001571610890 960470660 /nfs/dbraw/zinc/47/06/60/960470660.db2.gz FJOJHHWXDBENDE-UHFFFAOYSA-N 1 1 292.423 3.255 20 30 CGEDMO C#CCCCCC(=O)NCC[N@H+](C)CC1CCC(C)CC1 ZINC001567277625 960582321 /nfs/dbraw/zinc/58/23/21/960582321.db2.gz ILUHPDNYMAEAOC-UHFFFAOYSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](F)CC1CCCCC1 ZINC001565831285 960594405 /nfs/dbraw/zinc/59/44/05/960594405.db2.gz DOCZGAXKILJRTF-HZPDHXFCSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](F)CC1CCCCC1 ZINC001565831285 960594418 /nfs/dbraw/zinc/59/44/18/960594418.db2.gz DOCZGAXKILJRTF-HZPDHXFCSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)CC ZINC001565824719 960832273 /nfs/dbraw/zinc/83/22/73/960832273.db2.gz LSEZSQSJMIDWKC-GJZGRUSLSA-N 1 1 280.456 3.310 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCC2(C)CC2)[C@H]1CC ZINC001566024654 960865475 /nfs/dbraw/zinc/86/54/75/960865475.db2.gz OHDWIBBTBKUPQI-UONOGXRCSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCC2(C)CC2)[C@H]1CC ZINC001566024654 960865457 /nfs/dbraw/zinc/86/54/57/960865457.db2.gz OHDWIBBTBKUPQI-UONOGXRCSA-N 1 1 298.858 3.288 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](NC(=O)C[C@H](CC)CCCC)[C@H]1CC ZINC001566018729 960869481 /nfs/dbraw/zinc/86/94/81/960869481.db2.gz NKZBRKRBELZHSQ-IXDOHACOSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCCC1(C)C ZINC001566124589 960894424 /nfs/dbraw/zinc/89/44/24/960894424.db2.gz YXPUOHUEUVBHAM-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C(C)(C)C)CC(C)(C)C1 ZINC001566129976 960898367 /nfs/dbraw/zinc/89/83/67/960898367.db2.gz MKPARMLWNHAUGE-CABCVRRESA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCCNC(=O)[C@@H](C)C(C)(C)C ZINC001566554968 960949274 /nfs/dbraw/zinc/94/92/74/960949274.db2.gz NVWRUTCLGKQNRS-OAHLLOKOSA-N 1 1 282.472 3.463 20 30 CGEDMO C=CC[N@@H+](CC)CCCNC(=O)CC1CCCCCC1 ZINC001566566904 960954582 /nfs/dbraw/zinc/95/45/82/960954582.db2.gz PVAIPAQIEQDNDE-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[C@@H](C[N@@H+](C)C(C)C)C1 ZINC001566741692 960999900 /nfs/dbraw/zinc/99/99/00/960999900.db2.gz HXIXKARONURSKU-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)CCC ZINC001566755136 961004231 /nfs/dbraw/zinc/00/42/31/961004231.db2.gz WWVNEUHNIMGQIH-GASCZTMLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)C2CCC=CCC2)C1 ZINC001566745957 961012462 /nfs/dbraw/zinc/01/24/62/961012462.db2.gz ADEXPLXNCZLXKV-MRXNPFEDSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](CC=C)C1 ZINC001566959660 961071929 /nfs/dbraw/zinc/07/19/29/961071929.db2.gz GMDNUQJUFJDGPX-WBVHZDCISA-N 1 1 290.451 3.158 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@H]([N@H+](C)CCCC)C1 ZINC001567197121 961136725 /nfs/dbraw/zinc/13/67/25/961136725.db2.gz XINAUBCJYBXBAS-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1CC=CCC1 ZINC001567326710 961276117 /nfs/dbraw/zinc/27/61/17/961276117.db2.gz SLMHLVRPBHJUHR-HZPDHXFCSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CC)CCNC(=O)C1(F)CCCC1 ZINC001567337162 961287392 /nfs/dbraw/zinc/28/73/92/961287392.db2.gz AISBONSJHFMZKR-CQSZACIVSA-N 1 1 284.419 3.062 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCC[N@H+](CC)CCC(C)(C)C ZINC001567344194 961299802 /nfs/dbraw/zinc/29/98/02/961299802.db2.gz XBBKVXZCWXBPPC-QGZVFWFLSA-N 1 1 282.472 3.463 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)c1ccsc1 ZINC001567379098 961309260 /nfs/dbraw/zinc/30/92/60/961309260.db2.gz NZMMTNLTTCHXBO-HIFRSBDPSA-N 1 1 292.448 3.008 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001567408478 961322778 /nfs/dbraw/zinc/32/27/78/961322778.db2.gz ZTVZOWBURGAUAE-INIZCTEOSA-N 1 1 292.467 3.217 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@H](CC)CCCCC)C1 ZINC001567419839 961325806 /nfs/dbraw/zinc/32/58/06/961325806.db2.gz VOCHWKJYRPYKOI-IAGOWNOFSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCC[N@@H+](CCC)CCNC(=O)[C@@H]1CCC[C@H](C)C1 ZINC001567429245 961331840 /nfs/dbraw/zinc/33/18/40/961331840.db2.gz NPKPAAWOZKEXTK-JKSUJKDBSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@@H+](CCNC(=O)[C@@H]1CCCC1(C)C)C1CC1 ZINC001567447381 961346741 /nfs/dbraw/zinc/34/67/41/961346741.db2.gz SOPKUZKNDWOTNS-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CCNC(=O)c1cocc1C)C1CC1 ZINC001567447681 961347109 /nfs/dbraw/zinc/34/71/09/961347109.db2.gz YTPAUEFYWXFUOJ-CQSZACIVSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ccoc2)C1 ZINC001567680147 961389418 /nfs/dbraw/zinc/38/94/18/961389418.db2.gz ZZYBOYLWQINHCR-MRXNPFEDSA-N 1 1 290.407 3.172 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](N(CCC)C(=O)C2CC2)C1 ZINC001567678265 961397143 /nfs/dbraw/zinc/39/71/43/961397143.db2.gz OKDFYLWTKNCSBD-GOEBONIOSA-N 1 1 278.440 3.064 20 30 CGEDMO C#CCCCC(=O)N(CCC)[C@@H]1CC[N@@H+](C[C@@H](C)CC)C1 ZINC001567682776 961398647 /nfs/dbraw/zinc/39/86/47/961398647.db2.gz PDAYCVMQPABUBZ-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCC[NH+]1CC(NC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001567813577 961431879 /nfs/dbraw/zinc/43/18/79/961431879.db2.gz IXGDIEFLHQETMV-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC1CCC1 ZINC001567853627 961444580 /nfs/dbraw/zinc/44/45/80/961444580.db2.gz CRLJGEHPBPOFRL-PVAVHDDUSA-N 1 1 290.451 3.207 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@](C)(CC)CCC)C1 ZINC001567898173 961451115 /nfs/dbraw/zinc/45/11/15/961451115.db2.gz MODSLUADYFCJCS-NVXWUHKLSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)C[C@@H](C)CC)C1 ZINC001567935784 961462033 /nfs/dbraw/zinc/46/20/33/961462033.db2.gz KHQNTXCGGZNVDO-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC(C)(C)CC(=O)N(CC)[C@@H]1CC[N@@H+](CCC(=C)C)C1 ZINC001567937875 961465195 /nfs/dbraw/zinc/46/51/95/961465195.db2.gz RZOPSFPSDLSKRC-MRXNPFEDSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)C2(C3CC3)CC2)C1 ZINC001567914791 961466773 /nfs/dbraw/zinc/46/67/73/961466773.db2.gz XLLWEVBWMCQALI-HOCLYGCPSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@H+](C)CCC1CCN(C(=O)[C@@H](C)CC)CC1 ZINC001568435611 961572836 /nfs/dbraw/zinc/57/28/36/961572836.db2.gz KLTJTCZDHJXXGB-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[N@H+](C)C[C@H](C)NC(=O)c1sccc1C(C)C ZINC001569152860 961712185 /nfs/dbraw/zinc/71/21/85/961712185.db2.gz KPRFAJDUKQIVKI-LBPRGKRZSA-N 1 1 280.437 3.108 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)[C@]1(C)CC=C(C)CC1 ZINC001569151683 961712218 /nfs/dbraw/zinc/71/22/18/961712218.db2.gz MZUMQLSORXWYHN-DOTOQJQBSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(C(F)F)cc1 ZINC001569143504 961714943 /nfs/dbraw/zinc/71/49/43/961714943.db2.gz FVODIPQZIIKGFG-LBPRGKRZSA-N 1 1 296.361 3.250 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)c1ccc(Cl)o1 ZINC001569347300 961737152 /nfs/dbraw/zinc/73/71/52/961737152.db2.gz YUXCGXPHKZFNNG-VXGBXAGGSA-N 1 1 296.798 3.092 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccsc1 ZINC001569371756 961747633 /nfs/dbraw/zinc/74/76/33/961747633.db2.gz ZBUBMIPJONPWMC-DZGCQCFKSA-N 1 1 292.448 3.041 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@H]1CC[N@H+]1Cc1ccsc1 ZINC001569371756 961747639 /nfs/dbraw/zinc/74/76/39/961747639.db2.gz ZBUBMIPJONPWMC-DZGCQCFKSA-N 1 1 292.448 3.041 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)CCC(C)C)CC2)C1 ZINC001569433940 961766605 /nfs/dbraw/zinc/76/66/05/961766605.db2.gz CAVNMJYKBWNPMF-KRWDZBQOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CCCC ZINC001569444805 961767928 /nfs/dbraw/zinc/76/79/28/961767928.db2.gz LWKSDTQAJOKUIM-XHSDSOJGSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001569641780 961813758 /nfs/dbraw/zinc/81/37/58/961813758.db2.gz SQZQLKZUAARFIE-SJLPKXTDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC/C=C/CC)C2 ZINC001569794754 961837810 /nfs/dbraw/zinc/83/78/10/961837810.db2.gz NDUNRJKILFMYES-IUKJUUPTSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@]1(C)CCC[N@@H+](C/C=C/Cl)C1 ZINC001569720540 961838469 /nfs/dbraw/zinc/83/84/69/961838469.db2.gz QAQTXUYINIWXMO-DYLHUKMJSA-N 1 1 298.858 3.169 20 30 CGEDMO C=CCCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](F)CC ZINC001569858081 961856585 /nfs/dbraw/zinc/85/65/85/961856585.db2.gz DKZFLMPETURVMF-LVQVYYBASA-N 1 1 296.430 3.060 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C[C@H](C)CC(C)C)CC1 ZINC001570185053 961921636 /nfs/dbraw/zinc/92/16/36/961921636.db2.gz DFNCBXCDOZOSAN-CVEARBPZSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CCC)C(C)C)CC1 ZINC001570183335 961922634 /nfs/dbraw/zinc/92/26/34/961922634.db2.gz IOLNLMZXFNRJGU-CVEARBPZSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@H+](CC2CCCC2)CC1(C)C ZINC001570391453 961956214 /nfs/dbraw/zinc/95/62/14/961956214.db2.gz MFRVKCDGGCETMW-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H](C)[N@@H+](C)CC1CCCC1 ZINC001570714374 962063977 /nfs/dbraw/zinc/06/39/77/962063977.db2.gz MWWGAHWHNRXEHJ-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)c1cc(C)c(CC)s1 ZINC001570750707 962069870 /nfs/dbraw/zinc/06/98/70/962069870.db2.gz YMOOEITWWUWGSM-CYBMUJFWSA-N 1 1 294.464 3.245 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)c1cc(C(C)C)oc1C ZINC001570745295 962077658 /nfs/dbraw/zinc/07/76/58/962077658.db2.gz GUNIYVGTIPNMCX-CYBMUJFWSA-N 1 1 292.423 3.338 20 30 CGEDMO C=CCCCC(=O)NC[C@H]1CCCCC[N@@H+]1CCCF ZINC001570825108 962094082 /nfs/dbraw/zinc/09/40/82/962094082.db2.gz LZNLWYUJABOUCD-OAHLLOKOSA-N 1 1 284.419 3.063 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)C3CCC3)C2)C1 ZINC001571029029 962119188 /nfs/dbraw/zinc/11/91/88/962119188.db2.gz SOCRWIKBDPEADM-OAHLLOKOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@H](C)CCC)CC1 ZINC001571329740 962132862 /nfs/dbraw/zinc/13/28/62/962132862.db2.gz MQXZCOLYHLJUPZ-GFCCVEGCSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC([N@H+](C)C[C@@H](F)CC)CC1 ZINC001571333298 962137735 /nfs/dbraw/zinc/13/77/35/962137735.db2.gz LRHRJVCZTPMORN-CABCVRRESA-N 1 1 298.446 3.260 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)/C=C(\C)CC)CCC[C@H]12 ZINC001571499007 962165020 /nfs/dbraw/zinc/16/50/20/962165020.db2.gz LPOXCYVJQBADLF-HKFUTYSHSA-N 1 1 296.842 3.208 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)/C=C(\C)CC)CCC[C@H]12 ZINC001571499007 962165030 /nfs/dbraw/zinc/16/50/30/962165030.db2.gz LPOXCYVJQBADLF-HKFUTYSHSA-N 1 1 296.842 3.208 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CNC(=O)CCC2CCC2)CC1 ZINC001571684747 962206801 /nfs/dbraw/zinc/20/68/01/962206801.db2.gz UQVXZUMMMCBTAS-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)C2(CC=C)CCCC2)CC1 ZINC001571701349 962209205 /nfs/dbraw/zinc/20/92/05/962209205.db2.gz GVDIRXXLHYVWJX-UHFFFAOYSA-N 1 1 288.435 3.057 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCC1=CC[N@@H+](C[C@H](F)CC)CC1 ZINC001571694267 962211538 /nfs/dbraw/zinc/21/15/38/962211538.db2.gz CSWWLYKVIQVZHH-WBVHZDCISA-N 1 1 296.430 3.085 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H](C)[C@H](C)CC ZINC001573341929 962248556 /nfs/dbraw/zinc/24/85/56/962248556.db2.gz RFLHMEGJPJSDDL-ZIAGYGMSSA-N 1 1 299.422 3.289 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H](C)[C@@H](C)CC ZINC001573341927 962252145 /nfs/dbraw/zinc/25/21/45/962252145.db2.gz RFLHMEGJPJSDDL-UONOGXRCSA-N 1 1 299.422 3.289 20 30 CGEDMO CC[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C[C@H](C)OC ZINC000589753392 346810503 /nfs/dbraw/zinc/81/05/03/346810503.db2.gz WOZDPQVGAIWFFQ-AWEZNQCLSA-N 1 1 274.408 3.345 20 30 CGEDMO CC[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccncc1 ZINC000589821356 346812668 /nfs/dbraw/zinc/81/26/68/346812668.db2.gz QCJVXBZXCGBPDG-MRXNPFEDSA-N 1 1 269.323 3.333 20 30 CGEDMO CC[C@@H]1CC[C@H](C)[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000124585808 187144034 /nfs/dbraw/zinc/14/40/34/187144034.db2.gz DDEIFFOHDUZALA-XJKSGUPXSA-N 1 1 285.391 3.150 20 30 CGEDMO C=C(C)CN(C)C(=O)NCCC[N@H+](CC)C1CCCCC1 ZINC000651220032 398218272 /nfs/dbraw/zinc/21/82/72/398218272.db2.gz PWRZOMOGDLEVDV-UHFFFAOYSA-N 1 1 295.471 3.249 20 30 CGEDMO COc1ccc(C[N@H+](C)Cc2ccccc2OC)cc1C#N ZINC000125018111 187166001 /nfs/dbraw/zinc/16/60/01/187166001.db2.gz HXGCFLVYAYVNPP-UHFFFAOYSA-N 1 1 296.370 3.207 20 30 CGEDMO C[C@H](Nc1[nH+]c2ccc(F)cc2n1C)c1cccc(C#N)c1 ZINC000590060877 346824077 /nfs/dbraw/zinc/82/40/77/346824077.db2.gz DPNCUKDZECLQML-NSHDSACASA-N 1 1 294.333 3.179 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1nccnc1C ZINC000621713363 349560039 /nfs/dbraw/zinc/56/00/39/349560039.db2.gz HZGPMPZHUCALTJ-UHFFFAOYSA-N 1 1 267.376 3.016 20 30 CGEDMO Cc1ccccc1C[N@H+]1CCCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000590154561 346832909 /nfs/dbraw/zinc/83/29/09/346832909.db2.gz OIPNLVOCZYWYMN-PKOBYXMFSA-N 1 1 297.446 3.195 20 30 CGEDMO Cc1ccccc1CN1CCC[N@@H+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000590154561 346832912 /nfs/dbraw/zinc/83/29/12/346832912.db2.gz OIPNLVOCZYWYMN-PKOBYXMFSA-N 1 1 297.446 3.195 20 30 CGEDMO Cc1ccccc1CN1CCC[N@H+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000590154561 346832914 /nfs/dbraw/zinc/83/29/14/346832914.db2.gz OIPNLVOCZYWYMN-PKOBYXMFSA-N 1 1 297.446 3.195 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCS[C@@H](c3ccccc3)C2)C1 ZINC000590161672 346833402 /nfs/dbraw/zinc/83/34/02/346833402.db2.gz GJLRNDFWTMLZMN-FVQBIDKESA-N 1 1 272.417 3.469 20 30 CGEDMO C=CC[C@@H]1CC[C@@H]([NH2+]C2CC(N3CCCCC3)C2)C1 ZINC000651791285 398288581 /nfs/dbraw/zinc/28/85/81/398288581.db2.gz NIZOUGVTMNKSCU-NUWOQIAWSA-N 1 1 262.441 3.338 20 30 CGEDMO CCC(CC)[N@@H+](CC)CCC(=O)Nc1ccccc1C#N ZINC000288797691 282179983 /nfs/dbraw/zinc/17/99/83/282179983.db2.gz CUOVBNPTGXHWSS-UHFFFAOYSA-N 1 1 287.407 3.397 20 30 CGEDMO CC[C@H](NCC([NH3+])(CC)CC)c1ccc(C#N)cc1 ZINC000423286927 529590464 /nfs/dbraw/zinc/59/04/64/529590464.db2.gz JMHNGSRSLYIUMF-HNNXBMFYSA-N 1 1 259.397 3.116 20 30 CGEDMO CC1=CC[N@H+](Cc2ccc(C#N)cc2Br)CC1 ZINC000350984873 219073155 /nfs/dbraw/zinc/07/31/55/219073155.db2.gz BWVRJRHVWVKAKQ-UHFFFAOYSA-N 1 1 291.192 3.473 20 30 CGEDMO CC1=CC[N@@H+](Cc2ccc(C#N)cc2Br)CC1 ZINC000350984873 219073157 /nfs/dbraw/zinc/07/31/57/219073157.db2.gz BWVRJRHVWVKAKQ-UHFFFAOYSA-N 1 1 291.192 3.473 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000591758838 346934267 /nfs/dbraw/zinc/93/42/67/346934267.db2.gz MWXCMSUWTMKECV-WFASDCNBSA-N 1 1 287.338 3.073 20 30 CGEDMO CCc1nn(C)cc1C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000591839099 346941895 /nfs/dbraw/zinc/94/18/95/346941895.db2.gz IPBCJYGTQLGBAQ-CYBMUJFWSA-N 1 1 282.391 3.047 20 30 CGEDMO CCOc1ccc([C@H](C)[NH2+]Cc2ccncc2C#N)cc1 ZINC000592091707 346962478 /nfs/dbraw/zinc/96/24/78/346962478.db2.gz BBWFWANUPUDAQU-ZDUSSCGKSA-N 1 1 281.359 3.203 20 30 CGEDMO Cc1cc([C@@H](C)[NH2+]Cc2ccncc2C#N)ccc1F ZINC000592098149 346962802 /nfs/dbraw/zinc/96/28/02/346962802.db2.gz LIALDVUIGHMSBS-GFCCVEGCSA-N 1 1 269.323 3.252 20 30 CGEDMO CCC[C@]1(C)CCC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592071918 346960769 /nfs/dbraw/zinc/96/07/69/346960769.db2.gz UZEPMIQPCIPOBK-MRXNPFEDSA-N 1 1 257.381 3.355 20 30 CGEDMO CC(C)(C)C1CCC(C[N@H+]2CC[C@@](O)(CC#N)C2)CC1 ZINC000592152039 346967829 /nfs/dbraw/zinc/96/78/29/346967829.db2.gz SWEVHPMCVICFAK-DQPZFDDXSA-N 1 1 278.440 3.189 20 30 CGEDMO N#CCSCCC[N@H+]1CCCC[C@H]1C1CCC1 ZINC000592197781 346971312 /nfs/dbraw/zinc/97/13/12/346971312.db2.gz JKWNMTRVNBULOF-AWEZNQCLSA-N 1 1 252.427 3.288 20 30 CGEDMO CCCC[N@@H+](CCC#N)[C@@H]1CCc2ncsc2C1 ZINC000592188365 346970115 /nfs/dbraw/zinc/97/01/15/346970115.db2.gz NXTHIMHQVUVTKJ-GFCCVEGCSA-N 1 1 263.410 3.016 20 30 CGEDMO C[N@@H+](CCC(C)(C)C)Cc1cnc2ccc(C#N)cn12 ZINC000592524555 346995449 /nfs/dbraw/zinc/99/54/49/346995449.db2.gz YFSKULFLWVKCCR-UHFFFAOYSA-N 1 1 270.380 3.074 20 30 CGEDMO N#Cc1ccc2ncc(C[N@H+]3CCCC[C@@H]3C3CCC3)n2c1 ZINC000592527134 346996282 /nfs/dbraw/zinc/99/62/82/346996282.db2.gz DHKVBOHDTSUQAV-QGZVFWFLSA-N 1 1 294.402 3.361 20 30 CGEDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1cc(C)cc(C#N)c1 ZINC000592803721 347017830 /nfs/dbraw/zinc/01/78/30/347017830.db2.gz DRQZFDONOVEFHR-ZDUSSCGKSA-N 1 1 296.374 3.215 20 30 CGEDMO CC[N@@H+](CCc1ccccc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000127114385 187283508 /nfs/dbraw/zinc/28/35/08/187283508.db2.gz OSBPQCOEWOIDBS-IBGZPJMESA-N 1 1 294.398 3.156 20 30 CGEDMO C[C@]1(c2cccc(F)c2)CC[N@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000593040842 347031000 /nfs/dbraw/zinc/03/10/00/347031000.db2.gz MPSAELIJPNFXPZ-JQFCIGGWSA-N 1 1 272.367 3.481 20 30 CGEDMO CC[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@@H](C)CO1 ZINC000593062632 347034500 /nfs/dbraw/zinc/03/45/00/347034500.db2.gz PPDRBNNIKWHJJG-GOEBONIOSA-N 1 1 286.419 3.487 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000046088661 345034468 /nfs/dbraw/zinc/03/44/68/345034468.db2.gz FVVJHCHWZOHQBF-HNNXBMFYSA-N 1 1 292.448 3.310 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCCC[C@H]1CC(N)=O ZINC000330982721 264102719 /nfs/dbraw/zinc/10/27/19/264102719.db2.gz HMVMODMQPFYMQF-LBPRGKRZSA-N 1 1 251.374 3.096 20 30 CGEDMO Cc1ccc2nc(C[N@@H+](C)Cc3ccc(C#N)cc3)cn2c1 ZINC000051401071 345089521 /nfs/dbraw/zinc/08/95/21/345089521.db2.gz XBQTWQZJTRDTEF-UHFFFAOYSA-N 1 1 290.370 3.146 20 30 CGEDMO Cc1ccc2nc(C[N@H+](C)Cc3ccc(C#N)cc3)cn2c1 ZINC000051401071 345089523 /nfs/dbraw/zinc/08/95/23/345089523.db2.gz XBQTWQZJTRDTEF-UHFFFAOYSA-N 1 1 290.370 3.146 20 30 CGEDMO Cc1c(C[N@@H+](C)Cc2ccc(C#N)cc2)cccc1[N+](=O)[O-] ZINC000051401079 345089528 /nfs/dbraw/zinc/08/95/28/345089528.db2.gz MRVJRYDDZFLVER-UHFFFAOYSA-N 1 1 295.342 3.407 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1nnc(-c2ccc(OC)cc2)o1 ZINC000053778631 345125732 /nfs/dbraw/zinc/12/57/32/345125732.db2.gz CUHARAPZBQWVQW-UHFFFAOYSA-N 1 1 287.363 3.143 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1nnc(-c2ccc(OC)cc2)o1 ZINC000053778631 345125734 /nfs/dbraw/zinc/12/57/34/345125734.db2.gz CUHARAPZBQWVQW-UHFFFAOYSA-N 1 1 287.363 3.143 20 30 CGEDMO CCC[N@H+](CC(=O)N(CC)CCC#N)CC1CCCCC1 ZINC000060495262 345217463 /nfs/dbraw/zinc/21/74/63/345217463.db2.gz DHCPMAFNWKNNKS-UHFFFAOYSA-N 1 1 293.455 3.041 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCCNc1ccc(Cl)c(C#N)n1 ZINC000067347580 345319435 /nfs/dbraw/zinc/31/94/35/345319435.db2.gz KXBNNHZSOBKCQH-GFCCVEGCSA-N 1 1 292.814 3.283 20 30 CGEDMO CC[N@@H+](Cc1ccc(F)c2cccnc12)C[C@@H](C)C#N ZINC000066424021 345293835 /nfs/dbraw/zinc/29/38/35/345293835.db2.gz WUBGCPVVTBGPFI-LBPRGKRZSA-N 1 1 271.339 3.355 20 30 CGEDMO CC[N@H+](Cc1ccc(F)c2cccnc12)C[C@@H](C)C#N ZINC000066424021 345293839 /nfs/dbraw/zinc/29/38/39/345293839.db2.gz WUBGCPVVTBGPFI-LBPRGKRZSA-N 1 1 271.339 3.355 20 30 CGEDMO N#Cc1c(F)cccc1NCC[NH+]1Cc2ccccc2C1 ZINC000068321577 345349974 /nfs/dbraw/zinc/34/99/74/345349974.db2.gz SHJTUQQRKHJCFC-UHFFFAOYSA-N 1 1 281.334 3.125 20 30 CGEDMO C[C@H](CC#N)[NH2+]CCSc1ccc(Cl)cc1 ZINC000068608018 345356709 /nfs/dbraw/zinc/35/67/09/345356709.db2.gz QUXWMXVTAZAKEZ-SNVBAGLBSA-N 1 1 254.786 3.324 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)ccn1 ZINC000068765868 345361974 /nfs/dbraw/zinc/36/19/74/345361974.db2.gz DHSWLXFQDQLBDL-HOCLYGCPSA-N 1 1 255.365 3.108 20 30 CGEDMO C=CC[N@@H+](Cc1nccn1CC)CC1CCCCC1 ZINC000069859934 345386281 /nfs/dbraw/zinc/38/62/81/345386281.db2.gz SVJPGSQWJDEJFK-UHFFFAOYSA-N 1 1 261.413 3.471 20 30 CGEDMO C=CC[N@H+](Cc1nccn1CC)CC1CCCCC1 ZINC000069859934 345386283 /nfs/dbraw/zinc/38/62/83/345386283.db2.gz SVJPGSQWJDEJFK-UHFFFAOYSA-N 1 1 261.413 3.471 20 30 CGEDMO COc1ccccc1[C@@H]1CC[N@@H+](CCCSCC#N)C1 ZINC000074991277 345489759 /nfs/dbraw/zinc/48/97/59/345489759.db2.gz FDRKQQCGTGNTCY-CQSZACIVSA-N 1 1 290.432 3.131 20 30 CGEDMO C[C@H]1CCCCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075744537 345520933 /nfs/dbraw/zinc/52/09/33/345520933.db2.gz ACOJRBYUHZEAIS-ZDUSSCGKSA-N 1 1 296.374 3.373 20 30 CGEDMO CC1CCC([N@@H+](CCCC#N)C[C@H]2CCCO2)CC1 ZINC000075833924 345523949 /nfs/dbraw/zinc/52/39/49/345523949.db2.gz FJVVWAARIPYFCH-UYSNPLJNSA-N 1 1 264.413 3.350 20 30 CGEDMO C=CC[N@@H+](CCC(F)(F)F)Cc1cccc(C#N)c1 ZINC000077272223 345565740 /nfs/dbraw/zinc/56/57/40/345565740.db2.gz MJWUTMGITQHIFS-UHFFFAOYSA-N 1 1 268.282 3.499 20 30 CGEDMO C=CC[N@H+](CCC(F)(F)F)Cc1cccc(C#N)c1 ZINC000077272223 345565741 /nfs/dbraw/zinc/56/57/41/345565741.db2.gz MJWUTMGITQHIFS-UHFFFAOYSA-N 1 1 268.282 3.499 20 30 CGEDMO Cc1[nH+]ccn1CCCCNc1snc(Cl)c1C#N ZINC000078336064 345601400 /nfs/dbraw/zinc/60/14/00/345601400.db2.gz XIFGCGJPEATWFU-UHFFFAOYSA-N 1 1 295.799 3.065 20 30 CGEDMO CC(C)[C@H]1CCCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000093444074 345878365 /nfs/dbraw/zinc/87/83/65/345878365.db2.gz QCTAIUWHCQZFNN-MRXNPFEDSA-N 1 1 282.391 3.216 20 30 CGEDMO C=CC1CC[NH+]([C@@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000111259464 345948617 /nfs/dbraw/zinc/94/86/17/345948617.db2.gz HUQBGSXXMXKZGF-NSHDSACASA-N 1 1 263.385 3.326 20 30 CGEDMO C=CC[N@@H+](CCCc1cnn(C)c1)CCc1ccccc1 ZINC000126238835 346022912 /nfs/dbraw/zinc/02/29/12/346022912.db2.gz HKFHGXBBCCXYBE-UHFFFAOYSA-N 1 1 283.419 3.083 20 30 CGEDMO CC(C)[N@@H+](CCCc1cnn(C)c1)Cc1ccc(C#N)cc1 ZINC000123202511 346008525 /nfs/dbraw/zinc/00/85/25/346008525.db2.gz JIFMEYKUQAIYIS-UHFFFAOYSA-N 1 1 296.418 3.135 20 30 CGEDMO COC[C@H]1CCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000135273146 346086918 /nfs/dbraw/zinc/08/69/18/346086918.db2.gz HBNBCFDWFXAVRH-OAHLLOKOSA-N 1 1 272.392 3.099 20 30 CGEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000177566612 232371225 /nfs/dbraw/zinc/37/12/25/232371225.db2.gz XEUQQUQYBRXLDE-IYBDPMFKSA-N 1 1 297.402 3.009 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)ccc1F)C1Cc2ccccc2C1 ZINC000141190991 346107632 /nfs/dbraw/zinc/10/76/32/346107632.db2.gz FFHIIZSKABYSHP-UHFFFAOYSA-N 1 1 280.346 3.297 20 30 CGEDMO C=CC[N@@H+](Cc1cc(C(=O)OC)co1)Cc1ccccc1 ZINC000171031578 346201244 /nfs/dbraw/zinc/20/12/44/346201244.db2.gz SEJNGVHXABEPAE-UHFFFAOYSA-N 1 1 285.343 3.254 20 30 CGEDMO C=CC[N@H+](Cc1cc(C(=O)OC)co1)Cc1ccccc1 ZINC000171031578 346201246 /nfs/dbraw/zinc/20/12/46/346201246.db2.gz SEJNGVHXABEPAE-UHFFFAOYSA-N 1 1 285.343 3.254 20 30 CGEDMO CC#CC[N@@H+](C)Cc1ccc(OCc2ccccn2)cc1 ZINC000293329642 346431147 /nfs/dbraw/zinc/43/11/47/346431147.db2.gz XYXZUMNTMDOEDF-UHFFFAOYSA-N 1 1 280.371 3.116 20 30 CGEDMO CC[C@H](C#N)C(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2 ZINC000593545007 347091096 /nfs/dbraw/zinc/09/10/96/347091096.db2.gz YPIMYWLKIILHOL-CYBMUJFWSA-N 1 1 285.391 3.146 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000289410003 346423502 /nfs/dbraw/zinc/42/35/02/346423502.db2.gz SWZAQGVUNFGQCV-MRXNPFEDSA-N 1 1 283.396 3.303 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000289410003 346423506 /nfs/dbraw/zinc/42/35/06/346423506.db2.gz SWZAQGVUNFGQCV-MRXNPFEDSA-N 1 1 283.396 3.303 20 30 CGEDMO Cc1cc(C#N)ccc1Cn1c[nH+]c2c1C[C@H](C)[C@H](C)C2 ZINC000315676137 346483983 /nfs/dbraw/zinc/48/39/83/346483983.db2.gz ZMTXYFXTMPMLPL-OLZOCXBDSA-N 1 1 279.387 3.482 20 30 CGEDMO N#CC1(C[NH2+]Cc2cnc(-c3ccncc3)s2)CCCC1 ZINC000593652996 347099146 /nfs/dbraw/zinc/09/91/46/347099146.db2.gz VMGJEHNVXFPMKD-UHFFFAOYSA-N 1 1 298.415 3.379 20 30 CGEDMO C=CC[N@H+](Cc1ccc(C(=O)OC)cc1)C(C)(C)C ZINC000382471061 346560222 /nfs/dbraw/zinc/56/02/22/346560222.db2.gz BLWMAJIAQNNBBR-UHFFFAOYSA-N 1 1 261.365 3.260 20 30 CGEDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC1(CC#N)CC1 ZINC000383095621 346561807 /nfs/dbraw/zinc/56/18/07/346561807.db2.gz ZEYQBYZKCJKBOZ-SFHVURJKSA-N 1 1 297.446 3.134 20 30 CGEDMO CC(C)O[C@@H]1CCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000593656904 347100911 /nfs/dbraw/zinc/10/09/11/347100911.db2.gz AYLMWNQBGKZJNR-CYBMUJFWSA-N 1 1 264.394 3.009 20 30 CGEDMO CC[C@@H]1C[N@@H+](CCCC(C)(C)C#N)[C@@H](CC)CO1 ZINC000403870161 346598308 /nfs/dbraw/zinc/59/83/08/346598308.db2.gz LCDLQSQXVVVAEP-UONOGXRCSA-N 1 1 252.402 3.206 20 30 CGEDMO CC[C@@H]1CO[C@@H](CC)C[N@H+]1CCCC(C)(C)C#N ZINC000403870159 346598445 /nfs/dbraw/zinc/59/84/45/346598445.db2.gz LCDLQSQXVVVAEP-KGLIPLIRSA-N 1 1 252.402 3.206 20 30 CGEDMO COc1ccc(CC[N@@H+]2Cc3cccc(C#N)c3C2)cc1 ZINC000405101343 346602281 /nfs/dbraw/zinc/60/22/81/346602281.db2.gz UXGIYONVOFYGFH-UHFFFAOYSA-N 1 1 278.355 3.125 20 30 CGEDMO COc1ccc(CC[N@H+]2Cc3cccc(C#N)c3C2)cc1 ZINC000405101343 346602285 /nfs/dbraw/zinc/60/22/85/346602285.db2.gz UXGIYONVOFYGFH-UHFFFAOYSA-N 1 1 278.355 3.125 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC=C(c3ccccc3)C2)ccn1 ZINC000585756015 346729793 /nfs/dbraw/zinc/72/97/93/346729793.db2.gz AHGMJGURHHEFDN-UHFFFAOYSA-N 1 1 275.355 3.243 20 30 CGEDMO CN1CC[C@H]2CC[N@@H+](Cc3ccc(C(C)(C)C#N)cc3)[C@H]2C1 ZINC000585781575 346730039 /nfs/dbraw/zinc/73/00/39/346730039.db2.gz SVRQDSNQSPHTMJ-WMZOPIPTSA-N 1 1 297.446 3.014 20 30 CGEDMO C[N@@H+]1CC[C@H]2CCN(Cc3ccc(C(C)(C)C#N)cc3)[C@H]2C1 ZINC000585781575 346730042 /nfs/dbraw/zinc/73/00/42/346730042.db2.gz SVRQDSNQSPHTMJ-WMZOPIPTSA-N 1 1 297.446 3.014 20 30 CGEDMO C[N@H+]1CC[C@H]2CCN(Cc3ccc(C(C)(C)C#N)cc3)[C@H]2C1 ZINC000585781575 346730048 /nfs/dbraw/zinc/73/00/48/346730048.db2.gz SVRQDSNQSPHTMJ-WMZOPIPTSA-N 1 1 297.446 3.014 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000588978137 346779814 /nfs/dbraw/zinc/77/98/14/346779814.db2.gz JZIIOCSYTQYYJT-KRWDZBQOSA-N 1 1 254.377 3.489 20 30 CGEDMO CC(C)[N@H+](C)C[C@H](C)Nc1nc(C(C)(C)C)ccc1C#N ZINC000589601272 346801796 /nfs/dbraw/zinc/80/17/96/346801796.db2.gz BIAGXKGIEDMILN-ZDUSSCGKSA-N 1 1 288.439 3.391 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cn2)CCc2ccccc21 ZINC000594014715 347137441 /nfs/dbraw/zinc/13/74/41/347137441.db2.gz JEWDAOGTCCGWFI-AWEZNQCLSA-N 1 1 277.371 3.115 20 30 CGEDMO C[N@@H+](Cc1ccc2c(c1)OC(F)(F)O2)[C@H]1CC[C@@H](C#N)C1 ZINC000594035709 347141649 /nfs/dbraw/zinc/14/16/49/347141649.db2.gz SZSRAULEPLZBAI-PWSUYJOCSA-N 1 1 294.301 3.132 20 30 CGEDMO C=C(C)CC[N@@H+](CC(=O)OC(C)(C)C)C1CCC1 ZINC000594055795 347145782 /nfs/dbraw/zinc/14/57/82/347145782.db2.gz QGAFZAHYYFXDMX-UHFFFAOYSA-N 1 1 253.386 3.149 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC2(CCCCC2)O1 ZINC000594057673 347146772 /nfs/dbraw/zinc/14/67/72/347146772.db2.gz KXWAMTGDGONEQH-HNNXBMFYSA-N 1 1 284.403 3.482 20 30 CGEDMO N#CCCCCC(=O)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000593963939 347124773 /nfs/dbraw/zinc/12/47/73/347124773.db2.gz ATMFCJBJHXNOCC-INIZCTEOSA-N 1 1 297.402 3.082 20 30 CGEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CCCCC#N)C1 ZINC000593967740 347125242 /nfs/dbraw/zinc/12/52/42/347125242.db2.gz XNLZYNONPINGRF-DOTOQJQBSA-N 1 1 299.418 3.022 20 30 CGEDMO C[C@@H]1CCC[N@H+](CCNCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594494962 347178571 /nfs/dbraw/zinc/17/85/71/347178571.db2.gz MFNFAMDUIGWJKA-MRXNPFEDSA-N 1 1 299.462 3.309 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCNCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594494962 347178573 /nfs/dbraw/zinc/17/85/73/347178573.db2.gz MFNFAMDUIGWJKA-MRXNPFEDSA-N 1 1 299.462 3.309 20 30 CGEDMO CC[N@H+](CCNCc1ccc(C(C)(C)C#N)cc1)C1CC1 ZINC000594503535 347181024 /nfs/dbraw/zinc/18/10/24/347181024.db2.gz YAAZAYKJBLWWCZ-UHFFFAOYSA-N 1 1 285.435 3.062 20 30 CGEDMO CC[N@@H+](CCNCc1ccc(C(C)(C)C#N)cc1)C1CC1 ZINC000594503535 347181028 /nfs/dbraw/zinc/18/10/28/347181028.db2.gz YAAZAYKJBLWWCZ-UHFFFAOYSA-N 1 1 285.435 3.062 20 30 CGEDMO C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)CCN1C ZINC000594514118 347184774 /nfs/dbraw/zinc/18/47/74/347184774.db2.gz PKQNLZVNQAGDJR-RHSMWYFYSA-N 1 1 285.435 3.060 20 30 CGEDMO C[C@@H]1C[C@H](NCc2ccc(C(C)(C)C#N)cc2)CC[N@@H+]1C ZINC000594514118 347184777 /nfs/dbraw/zinc/18/47/77/347184777.db2.gz PKQNLZVNQAGDJR-RHSMWYFYSA-N 1 1 285.435 3.060 20 30 CGEDMO C[C@@H]1C[C@H](NCc2ccc(C(C)(C)C#N)cc2)CC[N@H+]1C ZINC000594514118 347184778 /nfs/dbraw/zinc/18/47/78/347184778.db2.gz PKQNLZVNQAGDJR-RHSMWYFYSA-N 1 1 285.435 3.060 20 30 CGEDMO Cc1[nH+]ccn1CCCCSc1ccncc1C#N ZINC000594910148 347227186 /nfs/dbraw/zinc/22/71/86/347227186.db2.gz VITSSXHDIWFJCV-UHFFFAOYSA-N 1 1 272.377 3.031 20 30 CGEDMO N#CC1(c2ccc(CNCC[NH+]3CCCCCC3)cc2)CC1 ZINC000594914936 347227988 /nfs/dbraw/zinc/22/79/88/347227988.db2.gz NCMFIPKEYCBTTJ-UHFFFAOYSA-N 1 1 297.446 3.207 20 30 CGEDMO C[C@@H]1CCCC[N@@H+]1CCNCc1ccc(C2(C#N)CC2)cc1 ZINC000594925189 347231146 /nfs/dbraw/zinc/23/11/46/347231146.db2.gz MIQXXPVWGFTDAL-MRXNPFEDSA-N 1 1 297.446 3.206 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCNCc1ccc(C2(C#N)CC2)cc1 ZINC000594925189 347231150 /nfs/dbraw/zinc/23/11/50/347231150.db2.gz MIQXXPVWGFTDAL-MRXNPFEDSA-N 1 1 297.446 3.206 20 30 CGEDMO CCCC[N@H+](C)C[C@@H](C)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594959168 347240733 /nfs/dbraw/zinc/24/07/33/347240733.db2.gz WDXKRRBGPULJKB-MRXNPFEDSA-N 1 1 299.462 3.452 20 30 CGEDMO CCCC[N@@H+](C)C[C@@H](C)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594959168 347240736 /nfs/dbraw/zinc/24/07/36/347240736.db2.gz WDXKRRBGPULJKB-MRXNPFEDSA-N 1 1 299.462 3.452 20 30 CGEDMO CC(C)n1ccnc1C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000594970168 347245305 /nfs/dbraw/zinc/24/53/05/347245305.db2.gz VCDWCVHKYLYUJU-UHFFFAOYSA-N 1 1 282.391 3.361 20 30 CGEDMO N#Cc1ccc(CN[C@@H]2CC[N@H+](C3CCCCC3)C2)s1 ZINC000594977967 347247093 /nfs/dbraw/zinc/24/70/93/347247093.db2.gz OMWCIGNRZYUAMP-CYBMUJFWSA-N 1 1 289.448 3.116 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@@H]2CCN(C3CCCCC3)C2)s1 ZINC000594977967 347247095 /nfs/dbraw/zinc/24/70/95/347247095.db2.gz OMWCIGNRZYUAMP-CYBMUJFWSA-N 1 1 289.448 3.116 20 30 CGEDMO COc1cc(F)cc(C[NH2+]CC2(C#N)CCCCC2)c1 ZINC000594981770 347248329 /nfs/dbraw/zinc/24/83/29/347248329.db2.gz VFIDBOFDLYREDX-UHFFFAOYSA-N 1 1 276.355 3.398 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)CCOCc1ccccc1 ZINC000595348847 347294498 /nfs/dbraw/zinc/29/44/98/347294498.db2.gz WBETWTJGESPEML-UHFFFAOYSA-N 1 1 274.408 3.465 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)CCOCc1ccccc1 ZINC000595348847 347294499 /nfs/dbraw/zinc/29/44/99/347294499.db2.gz WBETWTJGESPEML-UHFFFAOYSA-N 1 1 274.408 3.465 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCNC2(c3cccc(C#N)c3)CC2)C1 ZINC000595418066 347300154 /nfs/dbraw/zinc/30/01/54/347300154.db2.gz OFCLJGWMNDUNOK-IYBDPMFKSA-N 1 1 297.446 3.115 20 30 CGEDMO C[C@@H]1C[C@H](C)CN(CC[NH2+]C2(c3cccc(C#N)c3)CC2)C1 ZINC000595418066 347300159 /nfs/dbraw/zinc/30/01/59/347300159.db2.gz OFCLJGWMNDUNOK-IYBDPMFKSA-N 1 1 297.446 3.115 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595613422 347327095 /nfs/dbraw/zinc/32/70/95/347327095.db2.gz COIFQURFGKVIPW-HIFRSBDPSA-N 1 1 253.349 3.245 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000595612169 347327306 /nfs/dbraw/zinc/32/73/06/347327306.db2.gz SKJOPAUQBKGZKX-CYBMUJFWSA-N 1 1 283.350 3.500 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](C[C@@H]2CCc3ccccc3C2)C1 ZINC000595619575 347328350 /nfs/dbraw/zinc/32/83/50/347328350.db2.gz DKGPMZKSFVVABR-HZPDHXFCSA-N 1 1 268.404 3.417 20 30 CGEDMO CC1(C)C[N@H+](Cc2nc(C#N)cs2)CCc2ccccc21 ZINC000595633292 347330237 /nfs/dbraw/zinc/33/02/37/347330237.db2.gz OXXVWTKUIFIGKG-UHFFFAOYSA-N 1 1 297.427 3.351 20 30 CGEDMO CC1(C)C[N@@H+](Cc2nc(C#N)cs2)CCc2ccccc21 ZINC000595633292 347330240 /nfs/dbraw/zinc/33/02/40/347330240.db2.gz OXXVWTKUIFIGKG-UHFFFAOYSA-N 1 1 297.427 3.351 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595627468 347330371 /nfs/dbraw/zinc/33/03/71/347330371.db2.gz ZUOMPAXUVKDCIO-SUMWQHHRSA-N 1 1 270.376 3.120 20 30 CGEDMO CC1(C)C[C@@H]([N@@H+](CCCC#N)Cc2ccccc2)CO1 ZINC000595636799 347331094 /nfs/dbraw/zinc/33/10/94/347331094.db2.gz JROGNZZHUINIFE-MRXNPFEDSA-N 1 1 272.392 3.360 20 30 CGEDMO Cc1cc(C#N)ccc1C[NH2+][C@@H](C)c1cscn1 ZINC000595669742 347335295 /nfs/dbraw/zinc/33/52/95/347335295.db2.gz ZJATVNJSGMRTJD-NSHDSACASA-N 1 1 257.362 3.174 20 30 CGEDMO COc1ccc2c(c1)CC[N@H+](CCCC(C)(C)C#N)C2 ZINC000595760745 347352832 /nfs/dbraw/zinc/35/28/32/347352832.db2.gz XJFVZAIINWAFEO-UHFFFAOYSA-N 1 1 272.392 3.383 20 30 CGEDMO C=CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000595763135 347352901 /nfs/dbraw/zinc/35/29/01/347352901.db2.gz HYEBRFOSVVNSBC-UHFFFAOYSA-N 1 1 262.353 3.424 20 30 CGEDMO C=CC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C(C)(C)C ZINC000595766073 347353540 /nfs/dbraw/zinc/35/35/40/347353540.db2.gz RJQBBFRVDFRJAM-UHFFFAOYSA-N 1 1 296.374 3.395 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595785321 347355903 /nfs/dbraw/zinc/35/59/03/347355903.db2.gz DJBCTXDIRAGBAQ-CABCVRRESA-N 1 1 264.413 3.207 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCC=C(c3ccccn3)C2)cc1 ZINC000595503139 347312226 /nfs/dbraw/zinc/31/22/26/347312226.db2.gz XMRRIEWXGMISHU-UHFFFAOYSA-N 1 1 289.382 3.285 20 30 CGEDMO Cc1ccoc1C[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595509526 347313531 /nfs/dbraw/zinc/31/35/31/347313531.db2.gz GVMDWTWNQBQIKN-UHFFFAOYSA-N 1 1 254.333 3.134 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@H]1COc1ccc(C#N)cc1 ZINC000596239519 347402799 /nfs/dbraw/zinc/40/27/99/347402799.db2.gz RPQWMQLUPIEPMX-HNNXBMFYSA-N 1 1 258.365 3.200 20 30 CGEDMO Cc1cc(NCC[C@H](C)F)c(C#N)c(NCC[C@H](C)F)[nH+]1 ZINC000596242861 347403711 /nfs/dbraw/zinc/40/37/11/347403711.db2.gz BQYPPPHJDMSXAF-QWRGUYRKSA-N 1 1 296.365 3.004 20 30 CGEDMO Cc1cc(NCC[C@@H](C)F)c(C#N)c(NCC[C@H](C)F)[nH+]1 ZINC000596242860 347403754 /nfs/dbraw/zinc/40/37/54/347403754.db2.gz BQYPPPHJDMSXAF-MNOVXSKESA-N 1 1 296.365 3.004 20 30 CGEDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1cccc(C#N)c1 ZINC000595858206 347367969 /nfs/dbraw/zinc/36/79/69/347367969.db2.gz SVDWLKVQXBEERZ-VHRNVKJDSA-N 1 1 270.376 3.200 20 30 CGEDMO N#Cc1cnccc1C[N@H+]1CCCC[C@H]1CC1CCC1 ZINC000595870642 347368925 /nfs/dbraw/zinc/36/89/25/347368925.db2.gz IGJMIKHGKHRGIT-KRWDZBQOSA-N 1 1 269.392 3.498 20 30 CGEDMO N#Cc1ccc(NC(=O)C[N@@H+](CCC2CC2)CC2CC2)cc1 ZINC000595871029 347369190 /nfs/dbraw/zinc/36/91/90/347369190.db2.gz JXKPDMAMMYWRKV-UHFFFAOYSA-N 1 1 297.402 3.009 20 30 CGEDMO C[N@@H+](C[C@@H]1CCc2ccccc21)[C@H]1CC[C@@H](C#N)C1 ZINC000595878217 347369817 /nfs/dbraw/zinc/36/98/17/347369817.db2.gz MBDRMSQZBJRFAH-KBMXLJTQSA-N 1 1 254.377 3.340 20 30 CGEDMO Cc1nc(NC[C@H]2CC[N@H+]2C(C)(C)C)c(Cl)cc1C#N ZINC000596308743 347414328 /nfs/dbraw/zinc/41/43/28/347414328.db2.gz MSTUQOGKYXUUKK-GFCCVEGCSA-N 1 1 292.814 3.200 20 30 CGEDMO CC(C)(C#N)CCC[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595907438 347371031 /nfs/dbraw/zinc/37/10/31/347371031.db2.gz BWPSHXCZYQCSBK-CALCHBBNSA-N 1 1 276.424 3.209 20 30 CGEDMO CC(C)[N@@H+](Cc1cnc2n1CCC2)Cc1ccc(C#N)cc1 ZINC000596978786 347523787 /nfs/dbraw/zinc/52/37/87/347523787.db2.gz CMWSBIZEOAPMRN-UHFFFAOYSA-N 1 1 294.402 3.112 20 30 CGEDMO CC[N@H+]1C[C@H](C)N(Cc2ccc(C3(C#N)CC3)cc2)C[C@@H]1C ZINC000597012963 347527820 /nfs/dbraw/zinc/52/78/20/347527820.db2.gz GDQYZOOWYSFSCV-HOTGVXAUSA-N 1 1 297.446 3.156 20 30 CGEDMO CCN1C[C@H](C)[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@@H]1C ZINC000597012963 347527822 /nfs/dbraw/zinc/52/78/22/347527822.db2.gz GDQYZOOWYSFSCV-HOTGVXAUSA-N 1 1 297.446 3.156 20 30 CGEDMO CCN1C[C@H](C)[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@@H]1C ZINC000597012963 347527825 /nfs/dbraw/zinc/52/78/25/347527825.db2.gz GDQYZOOWYSFSCV-HOTGVXAUSA-N 1 1 297.446 3.156 20 30 CGEDMO CO[C@@H]1CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597081038 347533949 /nfs/dbraw/zinc/53/39/49/347533949.db2.gz APSYIHZBTWGAFV-QGZVFWFLSA-N 1 1 284.403 3.243 20 30 CGEDMO COc1ccc(-c2ccncc2)cc1C[NH+]1CC(CC#N)C1 ZINC000597203581 347554472 /nfs/dbraw/zinc/55/44/72/347554472.db2.gz LLMUVHRMUKYFCC-UHFFFAOYSA-N 1 1 293.370 3.103 20 30 CGEDMO C[C@@H](CCc1cccc(F)c1)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597232747 347559848 /nfs/dbraw/zinc/55/98/48/347559848.db2.gz WRWDLMWYEVADDB-BBRMVZONSA-N 1 1 260.356 3.382 20 30 CGEDMO C[C@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc(C#N)c1 ZINC000598966448 347701661 /nfs/dbraw/zinc/70/16/61/347701661.db2.gz XLXPOSGMBHVZGW-BBRMVZONSA-N 1 1 271.408 3.082 20 30 CGEDMO C[C@H]([NH2+][C@H]1CCN(C)C(C)(C)C1)c1cccc(C#N)c1 ZINC000598966448 347701667 /nfs/dbraw/zinc/70/16/67/347701667.db2.gz XLXPOSGMBHVZGW-BBRMVZONSA-N 1 1 271.408 3.082 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000598592278 347667505 /nfs/dbraw/zinc/66/75/05/347667505.db2.gz IQYBBBKFWMLESB-DOTOQJQBSA-N 1 1 276.424 3.109 20 30 CGEDMO CC[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@@H]1CCCC[C@H]1C ZINC000598608392 347670541 /nfs/dbraw/zinc/67/05/41/347670541.db2.gz RCZUYDZQDHZMIV-RBSFLKMASA-N 1 1 266.429 3.188 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCc2c(O)cccc2C1 ZINC000599648298 347761687 /nfs/dbraw/zinc/76/16/87/347761687.db2.gz WPTRXOZPRGYYEC-UHFFFAOYSA-N 1 1 272.392 3.470 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677806 347764958 /nfs/dbraw/zinc/76/49/58/347764958.db2.gz OHVSQLJUVFVFPZ-UHFFFAOYSA-N 1 1 267.376 3.051 20 30 CGEDMO Cc1cncc(C[N@@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC000599678493 347765232 /nfs/dbraw/zinc/76/52/32/347765232.db2.gz RUSFBGAUXMIPLP-UHFFFAOYSA-N 1 1 277.371 3.014 20 30 CGEDMO Cc1cncc(C[N@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC000599678493 347765236 /nfs/dbraw/zinc/76/52/36/347765236.db2.gz RUSFBGAUXMIPLP-UHFFFAOYSA-N 1 1 277.371 3.014 20 30 CGEDMO COc1ccc([C@@H]2CC[N@H+]([C@H]3CC[C@H](C#N)C3)C2)cc1F ZINC000599681208 347765291 /nfs/dbraw/zinc/76/52/91/347765291.db2.gz XALGEPQKVWFJKN-CFVMTHIKSA-N 1 1 288.366 3.316 20 30 CGEDMO COc1ccc([C@@H]2CC[N@H+]([C@H]3CC[C@@H](C#N)C3)C2)cc1F ZINC000599681210 347766217 /nfs/dbraw/zinc/76/62/17/347766217.db2.gz XALGEPQKVWFJKN-YUELXQCFSA-N 1 1 288.366 3.316 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@@H](c3ccco3)C2)cc1C#N ZINC000599291833 347732649 /nfs/dbraw/zinc/73/26/49/347732649.db2.gz SEQDMIVMBFVTCU-OAHLLOKOSA-N 1 1 266.344 3.449 20 30 CGEDMO COC1CCC([N@@H+](C)Cc2ccc(C)c(C#N)c2)CC1 ZINC000599296278 347732763 /nfs/dbraw/zinc/73/27/63/347732763.db2.gz UHHOTEOQKIBVCG-UHFFFAOYSA-N 1 1 272.392 3.256 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@H](C3CCOCC3)C2)cc1C#N ZINC000599338595 347736900 /nfs/dbraw/zinc/73/69/00/347736900.db2.gz FHKGLSCGEZKOSA-KRWDZBQOSA-N 1 1 284.403 3.115 20 30 CGEDMO Cc1ccc(C[N@H+]2CC3(CCC3)OC[C@@H]2C)cc1C#N ZINC000599465372 347746858 /nfs/dbraw/zinc/74/68/58/347746858.db2.gz HCNYKFIBYYCZSP-AWEZNQCLSA-N 1 1 270.376 3.010 20 30 CGEDMO Cc1ccc(C[N@@H+]2CC3(CCC3)OC[C@@H]2C)cc1C#N ZINC000599465372 347746860 /nfs/dbraw/zinc/74/68/60/347746860.db2.gz HCNYKFIBYYCZSP-AWEZNQCLSA-N 1 1 270.376 3.010 20 30 CGEDMO COc1cc(C[N@H+]2CCCC3(CC3)CC2)ccc1C#N ZINC000600216319 347794609 /nfs/dbraw/zinc/79/46/09/347794609.db2.gz YBNKZNPZKUAHQC-UHFFFAOYSA-N 1 1 270.376 3.333 20 30 CGEDMO COc1ccc(C[NH2+]CC2(C#N)CCC2)cc1OC1CC1 ZINC000600164940 347786915 /nfs/dbraw/zinc/78/69/15/347786915.db2.gz LCDBWHSHOUZSCI-UHFFFAOYSA-N 1 1 286.375 3.020 20 30 CGEDMO C[C@@H]1CCC[N@H+]1Cc1cccc(-c2cnn(CC#N)c2)c1 ZINC000600779472 347834824 /nfs/dbraw/zinc/83/48/24/347834824.db2.gz WZDBUEHWRYZFRZ-CQSZACIVSA-N 1 1 280.375 3.058 20 30 CGEDMO Cc1cc(C#N)cc(N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000601139807 347874587 /nfs/dbraw/zinc/87/45/87/347874587.db2.gz MVYNIUOOGHVWCA-HOCLYGCPSA-N 1 1 298.434 3.327 20 30 CGEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000602161926 347939018 /nfs/dbraw/zinc/93/90/18/347939018.db2.gz UNDSGMLCBIZJLC-IRXDYDNUSA-N 1 1 299.418 3.022 20 30 CGEDMO CC[N@H+](Cc1ccc2c(c1)OCO2)C[C@H](C)CCC#N ZINC000602430588 347955860 /nfs/dbraw/zinc/95/58/60/347955860.db2.gz DBOTZAKLMZYBSS-CYBMUJFWSA-N 1 1 274.364 3.177 20 30 CGEDMO CCC[N@@H+](Cc1ccccc1)Cc1cccc(C#N)n1 ZINC000602434692 347957035 /nfs/dbraw/zinc/95/70/35/347957035.db2.gz QOCHMHFTWLVNGV-UHFFFAOYSA-N 1 1 265.360 3.365 20 30 CGEDMO C[C@@H](CCC#N)C[NH2+]CC(C)(C)N1C[C@H](C)C[C@H](C)C1 ZINC000602529758 347976592 /nfs/dbraw/zinc/97/65/92/347976592.db2.gz OSVIKEWNRIEKKU-HRCADAONSA-N 1 1 279.472 3.272 20 30 CGEDMO C[N@H+](Cc1ccnn1CC1CCC1)Cc1ccc(C#N)cc1 ZINC000602438043 347958443 /nfs/dbraw/zinc/95/84/43/347958443.db2.gz GMBLFEANWKTEJY-UHFFFAOYSA-N 1 1 294.402 3.187 20 30 CGEDMO C[N@@H+](Cc1ccnn1CC1CCC1)Cc1ccc(C#N)cc1 ZINC000602438043 347958446 /nfs/dbraw/zinc/95/84/46/347958446.db2.gz GMBLFEANWKTEJY-UHFFFAOYSA-N 1 1 294.402 3.187 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000602450843 347959974 /nfs/dbraw/zinc/95/99/74/347959974.db2.gz KVWOKFJOAISEND-CHWSQXEVSA-N 1 1 264.394 3.061 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H](C)CCC#N ZINC000602456218 347960776 /nfs/dbraw/zinc/96/07/76/347960776.db2.gz VPNROJQGNHADPI-OAHLLOKOSA-N 1 1 267.376 3.486 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)CC1CCSCC1 ZINC000602464074 347961843 /nfs/dbraw/zinc/96/18/43/347961843.db2.gz BLNBGKAWDDZNCV-UHFFFAOYSA-N 1 1 254.443 3.391 20 30 CGEDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1cccc(C#N)n1 ZINC000602473185 347963655 /nfs/dbraw/zinc/96/36/55/347963655.db2.gz LNQCXSLLUMWZGL-ZBFHGGJFSA-N 1 1 277.371 3.331 20 30 CGEDMO Cc1nc(C)c([C@H](C)[N@H+](C)Cc2cccc(C#N)n2)s1 ZINC000602478082 347964909 /nfs/dbraw/zinc/96/49/09/347964909.db2.gz ZWOPTDCSRKHTCM-NSHDSACASA-N 1 1 286.404 3.220 20 30 CGEDMO Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2cccc(C#N)n2)s1 ZINC000602478082 347964914 /nfs/dbraw/zinc/96/49/14/347964914.db2.gz ZWOPTDCSRKHTCM-NSHDSACASA-N 1 1 286.404 3.220 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000602475533 347965010 /nfs/dbraw/zinc/96/50/10/347965010.db2.gz KSXUJGRDBDKTBS-BFYDXBDKSA-N 1 1 272.392 3.388 20 30 CGEDMO CCCO[C@@H]1CCC[N@@H+](C[C@@H](C)CCC#N)CC1 ZINC000602474861 347965207 /nfs/dbraw/zinc/96/52/07/347965207.db2.gz ODVSORCJBPMZHW-LSDHHAIUSA-N 1 1 252.402 3.207 20 30 CGEDMO CCc1cnc(C[N@@H+](C)C[C@H](C)CCC#N)s1 ZINC000602479838 347966358 /nfs/dbraw/zinc/96/63/58/347966358.db2.gz QJGCEWXHSQULLS-LLVKDONJSA-N 1 1 251.399 3.077 20 30 CGEDMO CCO[C@@H]1C[C@H]([N@@H+](C)C[C@H](C)CCC#N)C12CCC2 ZINC000602482388 347966751 /nfs/dbraw/zinc/96/67/51/347966751.db2.gz GBVSETUIMIMKMX-QLFBSQMISA-N 1 1 264.413 3.206 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000602482758 347967209 /nfs/dbraw/zinc/96/72/09/347967209.db2.gz QLRYMRBLDBREEA-LLVKDONJSA-N 1 1 264.319 3.263 20 30 CGEDMO CCC[C@@H](C)[C@H]1CCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602486979 347967778 /nfs/dbraw/zinc/96/77/78/347967778.db2.gz XQBRIFISKLQUQF-CZUORRHYSA-N 1 1 257.381 3.354 20 30 CGEDMO C[C@@H](CCC#N)C[NH2+]CC[C@H](C)N(C)Cc1ccccc1 ZINC000602572749 347985730 /nfs/dbraw/zinc/98/57/30/347985730.db2.gz MAQKKCNPEKTGGW-IRXDYDNUSA-N 1 1 287.451 3.426 20 30 CGEDMO Cc1cccc2nc(C[NH2+]C3CCC(C#N)CC3)[nH]c21 ZINC000602578766 347987452 /nfs/dbraw/zinc/98/74/52/347987452.db2.gz GFMNUJGBKGUMMJ-UHFFFAOYSA-N 1 1 268.364 3.043 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000602614034 347994841 /nfs/dbraw/zinc/99/48/41/347994841.db2.gz AUJBBSRDTFNHQB-MAUKXSAKSA-N 1 1 286.419 3.199 20 30 CGEDMO CC[C@@H](CO)[N@H+](Cc1ccccc1)C[C@H](C)CCC#N ZINC000602626350 347996089 /nfs/dbraw/zinc/99/60/89/347996089.db2.gz XZIMHJPJCGATQG-WBVHZDCISA-N 1 1 274.408 3.199 20 30 CGEDMO CCC[C@]1(COC)CCC[N@H+]1C[C@H](C)CCC#N ZINC000602637688 347998484 /nfs/dbraw/zinc/99/84/84/347998484.db2.gz OXBOYMWMIZAEDX-HUUCEWRRSA-N 1 1 252.402 3.207 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000602665329 348004261 /nfs/dbraw/zinc/00/42/61/348004261.db2.gz HESDGQFYZVHLQI-OWCLPIDISA-N 1 1 264.413 3.065 20 30 CGEDMO CC[C@@](C)(C[N@@H+](C)[C@H](C)c1cccc(C#N)c1)OC ZINC000602691172 348009739 /nfs/dbraw/zinc/00/97/39/348009739.db2.gz DGWKCGIPYMKBPG-CJNGLKHVSA-N 1 1 260.381 3.366 20 30 CGEDMO COc1ncc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)s1 ZINC000602691910 348010389 /nfs/dbraw/zinc/01/03/89/348010389.db2.gz IBBUFTUZOTVFSY-NSHDSACASA-N 1 1 287.388 3.216 20 30 CGEDMO COc1ncc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)s1 ZINC000602691910 348010393 /nfs/dbraw/zinc/01/03/93/348010393.db2.gz IBBUFTUZOTVFSY-NSHDSACASA-N 1 1 287.388 3.216 20 30 CGEDMO N#Cc1cccc2c1C[N@H+](CC1CCSCC1)C2 ZINC000602706318 348013664 /nfs/dbraw/zinc/01/36/64/348013664.db2.gz NWOSWRIKFUDRNW-UHFFFAOYSA-N 1 1 258.390 3.017 20 30 CGEDMO N#Cc1cccc2c1C[N@@H+](CC1CCSCC1)C2 ZINC000602706318 348013667 /nfs/dbraw/zinc/01/36/67/348013667.db2.gz NWOSWRIKFUDRNW-UHFFFAOYSA-N 1 1 258.390 3.017 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000602709377 348014396 /nfs/dbraw/zinc/01/43/96/348014396.db2.gz SOHFINYTLDMDAS-AWEZNQCLSA-N 1 1 265.360 3.360 20 30 CGEDMO N#CCC1(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)CC1 ZINC000602786253 348029479 /nfs/dbraw/zinc/02/94/79/348029479.db2.gz FEBGQQWXSYNCLV-STQMWFEESA-N 1 1 250.411 3.040 20 30 CGEDMO COc1ccccc1[C@@H]1CC[N@@H+](CC2(CC#N)CC2)C1 ZINC000602780801 348027108 /nfs/dbraw/zinc/02/71/08/348027108.db2.gz SBQDSBUCSMULPO-CQSZACIVSA-N 1 1 270.376 3.178 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000602854059 348037266 /nfs/dbraw/zinc/03/72/66/348037266.db2.gz MEGDPIDQDZFRLV-OAHLLOKOSA-N 1 1 257.381 3.201 20 30 CGEDMO N#CCC[C@H](C#N)C[NH+]1CCC2(CCSCC2)CC1 ZINC000602946130 348046167 /nfs/dbraw/zinc/04/61/67/348046167.db2.gz JSVZHFJIPRWWLE-CQSZACIVSA-N 1 1 277.437 3.039 20 30 CGEDMO C[N@H+](Cc1cc(F)cc2cccnc21)[C@H]1CCC[C@H]1C#N ZINC000602977228 348048983 /nfs/dbraw/zinc/04/89/83/348048983.db2.gz ZIGPSMKNEYPPAY-BBRMVZONSA-N 1 1 283.350 3.498 20 30 CGEDMO C[N@@H+](Cc1cc(F)cc2cccnc21)[C@H]1CCC[C@H]1C#N ZINC000602977228 348048988 /nfs/dbraw/zinc/04/89/88/348048988.db2.gz ZIGPSMKNEYPPAY-BBRMVZONSA-N 1 1 283.350 3.498 20 30 CGEDMO C[N@H+](Cc1ccc(OC(F)F)cc1)[C@H]1CCC[C@@H]1C#N ZINC000602977210 348049218 /nfs/dbraw/zinc/04/92/18/348049218.db2.gz ZCFMSACTPGHXCI-OCCSQVGLSA-N 1 1 280.318 3.412 20 30 CGEDMO C[N@@H+](Cc1ccc(OC(F)F)cc1)[C@H]1CCC[C@@H]1C#N ZINC000602977210 348049221 /nfs/dbraw/zinc/04/92/21/348049221.db2.gz ZCFMSACTPGHXCI-OCCSQVGLSA-N 1 1 280.318 3.412 20 30 CGEDMO COc1ccc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)cc1Cl ZINC000602979176 348050407 /nfs/dbraw/zinc/05/04/07/348050407.db2.gz ARASORZOOLUJOF-JSGCOSHPSA-N 1 1 278.783 3.473 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)cc1Cl ZINC000602979176 348050409 /nfs/dbraw/zinc/05/04/09/348050409.db2.gz ARASORZOOLUJOF-JSGCOSHPSA-N 1 1 278.783 3.473 20 30 CGEDMO Cc1cc(-n2ccnc2)ccc1C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602980938 348050951 /nfs/dbraw/zinc/05/09/51/348050951.db2.gz XQGFLMLXVOYWQO-QAPCUYQASA-N 1 1 294.402 3.305 20 30 CGEDMO C[N@H+](C[C@@H]1CCC2(CCCC2)O1)[C@@H]1CCC[C@H]1C#N ZINC000602980840 348051401 /nfs/dbraw/zinc/05/14/01/348051401.db2.gz WHLLMHKDGCCNGO-SOUVJXGZSA-N 1 1 262.397 3.102 20 30 CGEDMO C[N@@H+](C[C@@H]1CCC2(CCCC2)O1)[C@@H]1CCC[C@H]1C#N ZINC000602980840 348051404 /nfs/dbraw/zinc/05/14/04/348051404.db2.gz WHLLMHKDGCCNGO-SOUVJXGZSA-N 1 1 262.397 3.102 20 30 CGEDMO COc1cccc(SCC[N@H+](C)[C@H]2CCC[C@@H]2C#N)c1 ZINC000602982486 348051957 /nfs/dbraw/zinc/05/19/57/348051957.db2.gz TWDCMBYSMBSNMG-CJNGLKHVSA-N 1 1 290.432 3.411 20 30 CGEDMO COc1cccc(SCC[N@@H+](C)[C@H]2CCC[C@@H]2C#N)c1 ZINC000602982486 348051961 /nfs/dbraw/zinc/05/19/61/348051961.db2.gz TWDCMBYSMBSNMG-CJNGLKHVSA-N 1 1 290.432 3.411 20 30 CGEDMO CN(CCCC[NH+]1CCCCC1)Cc1ccccc1C#N ZINC000603111405 348060034 /nfs/dbraw/zinc/06/00/34/348060034.db2.gz QCFMDSFQWFICCY-UHFFFAOYSA-N 1 1 285.435 3.256 20 30 CGEDMO CC(C)CC[N@@H+](C)Cc1cn2ccccc2c1C#N ZINC000603859802 348099495 /nfs/dbraw/zinc/09/94/95/348099495.db2.gz VZOGQLJKNJOIQX-UHFFFAOYSA-N 1 1 255.365 3.289 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(Cc2ccccc2C)CC1 ZINC000605149848 348148698 /nfs/dbraw/zinc/14/86/98/348148698.db2.gz DILOQSBEUFNEPJ-UHFFFAOYSA-N 1 1 272.436 3.469 20 30 CGEDMO C=CCCCN1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000605149848 348148699 /nfs/dbraw/zinc/14/86/99/348148699.db2.gz DILOQSBEUFNEPJ-UHFFFAOYSA-N 1 1 272.436 3.469 20 30 CGEDMO C=CCCCN1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000605149848 348148700 /nfs/dbraw/zinc/14/87/00/348148700.db2.gz DILOQSBEUFNEPJ-UHFFFAOYSA-N 1 1 272.436 3.469 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2CCc3ccc(O)cc3CC2)c1 ZINC000608866685 348333020 /nfs/dbraw/zinc/33/30/20/348333020.db2.gz QUIYDFMPRGANBH-UHFFFAOYSA-N 1 1 296.345 3.004 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@H](c3ccco3)C2)c1 ZINC000609540420 348346885 /nfs/dbraw/zinc/34/68/85/348346885.db2.gz VYGLGZKUDDUHAO-HNNXBMFYSA-N 1 1 252.317 3.141 20 30 CGEDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2ccc(C#N)cc2)C1 ZINC000610282016 348372117 /nfs/dbraw/zinc/37/21/17/348372117.db2.gz ZBCDFGQIWRGSKQ-LJQANCHMSA-N 1 1 291.398 3.269 20 30 CGEDMO COc1ccc(C[N@@H+](C)CCCC(C)(C)C#N)cc1OC ZINC000610447501 348383428 /nfs/dbraw/zinc/38/34/28/348383428.db2.gz UCXCYKMPRBNMJP-UHFFFAOYSA-N 1 1 290.407 3.466 20 30 CGEDMO Cc1ccc(C[N@H+](Cc2ccnc(C#N)c2)C2CC2)o1 ZINC000610992079 348415317 /nfs/dbraw/zinc/41/53/17/348415317.db2.gz XDXJJXQMTRSXTG-UHFFFAOYSA-N 1 1 267.332 3.019 20 30 CGEDMO Cc1ccc(C[N@@H+](Cc2ccnc(C#N)c2)C2CC2)o1 ZINC000610992079 348415320 /nfs/dbraw/zinc/41/53/20/348415320.db2.gz XDXJJXQMTRSXTG-UHFFFAOYSA-N 1 1 267.332 3.019 20 30 CGEDMO C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610993712 348416533 /nfs/dbraw/zinc/41/65/33/348416533.db2.gz DCYRHAIXATZSDE-YJBOKZPZSA-N 1 1 291.398 3.406 20 30 CGEDMO C[C@@]1(c2ccccc2)CC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000610994815 348417578 /nfs/dbraw/zinc/41/75/78/348417578.db2.gz RVPJDQJYFVKOFJ-GOSISDBHSA-N 1 1 277.371 3.117 20 30 CGEDMO CC[N@H+]1C[C@H](C)N(c2cc(C#N)nc3ccccc32)C[C@H]1C ZINC000611222008 348428665 /nfs/dbraw/zinc/42/86/65/348428665.db2.gz CCDZSBGQFUJAEL-KGLIPLIRSA-N 1 1 294.402 3.025 20 30 CGEDMO COC(=O)c1ccc2c(c1)C[N@@H+](CC(C)(C)CCC#N)C2 ZINC000611270310 348432867 /nfs/dbraw/zinc/43/28/67/348432867.db2.gz AQBMSVRWXQUARD-UHFFFAOYSA-N 1 1 286.375 3.119 20 30 CGEDMO COC(=O)c1ccc2c(c1)C[N@H+](CC(C)(C)CCC#N)C2 ZINC000611270310 348432870 /nfs/dbraw/zinc/43/28/70/348432870.db2.gz AQBMSVRWXQUARD-UHFFFAOYSA-N 1 1 286.375 3.119 20 30 CGEDMO COCC[N@@H+](CCC#N)C[C@@H]1CCCC(C)(C)C1 ZINC000611268729 348433568 /nfs/dbraw/zinc/43/35/68/348433568.db2.gz KDHWETTVMZGGIB-CQSZACIVSA-N 1 1 252.402 3.065 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)o1 ZINC000611268252 348433585 /nfs/dbraw/zinc/43/35/85/348433585.db2.gz AZIGRYRBJURIDO-QGZVFWFLSA-N 1 1 282.343 3.115 20 30 CGEDMO C=C(CC)C[N@@H+]1CCC[C@@H](CCC(=O)OCC)C1 ZINC000611347754 348440012 /nfs/dbraw/zinc/44/00/12/348440012.db2.gz JJHLNZNZUYTRBK-AWEZNQCLSA-N 1 1 253.386 3.008 20 30 CGEDMO COC(=O)c1oc(C[NH2+][C@H](C)c2cccc(C#N)c2)cc1C ZINC000611388596 348443721 /nfs/dbraw/zinc/44/37/21/348443721.db2.gz KRFMCBGRTZDWTH-GFCCVEGCSA-N 1 1 298.342 3.097 20 30 CGEDMO C[C@H]1c2ccccc2OCC[N@@H+]1CCC(C)(C)C#N ZINC000611462687 348453601 /nfs/dbraw/zinc/45/36/01/348453601.db2.gz SGLWVWGIDQTRFF-ZDUSSCGKSA-N 1 1 258.365 3.382 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000611580462 348462708 /nfs/dbraw/zinc/46/27/08/348462708.db2.gz WHUBQBZYXUWGRR-NSHDSACASA-N 1 1 260.328 3.020 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)cc1 ZINC000612117667 348495771 /nfs/dbraw/zinc/49/57/71/348495771.db2.gz QVPGDADAAHRQTP-MOPGFXCFSA-N 1 1 298.430 3.391 20 30 CGEDMO C[C@@H](CC#N)[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000612584706 348529295 /nfs/dbraw/zinc/52/92/95/348529295.db2.gz XJWHOBYUQAGCJW-AWEZNQCLSA-N 1 1 281.359 3.052 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000612585351 348530534 /nfs/dbraw/zinc/53/05/34/348530534.db2.gz YTGVFORFMRNBMO-UHFFFAOYSA-N 1 1 288.782 3.165 20 30 CGEDMO C=C(C)COc1cc(C[NH2+]CC(C)(C)C#N)ccc1OC ZINC000612585837 348530688 /nfs/dbraw/zinc/53/06/88/348530688.db2.gz SQJHBFRHPDUYMG-UHFFFAOYSA-N 1 1 288.391 3.289 20 30 CGEDMO CC(C)(C)c1ccc(C#N)c(N[C@@H]2CC[N@H+]3CCCC[C@H]23)n1 ZINC000613412253 348598365 /nfs/dbraw/zinc/59/83/65/348598365.db2.gz RHWWJBIUFVGFQH-HUUCEWRRSA-N 1 1 298.434 3.289 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CC(C)(C)O1 ZINC000614161015 348653643 /nfs/dbraw/zinc/65/36/43/348653643.db2.gz MBIANRPSMPPJHW-AWEZNQCLSA-N 1 1 286.419 3.487 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000614403129 348674036 /nfs/dbraw/zinc/67/40/36/348674036.db2.gz GDLHYWUUZRGQCO-ZWKOTPCHSA-N 1 1 284.403 3.115 20 30 CGEDMO C=CCCc1ccccc1NC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000614479963 348679451 /nfs/dbraw/zinc/67/94/51/348679451.db2.gz TWARZAIVOLRBOL-CQSZACIVSA-N 1 1 295.386 3.272 20 30 CGEDMO Cc1ncc([C@@H](C)[N@@H+](C)Cc2cccc(C#N)c2)c(C)n1 ZINC000614493847 348680457 /nfs/dbraw/zinc/68/04/57/348680457.db2.gz YCKXAYRFDAYJOR-CYBMUJFWSA-N 1 1 280.375 3.158 20 30 CGEDMO CO[C@@]1(C(F)(F)F)CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000614923487 348700458 /nfs/dbraw/zinc/70/04/58/348700458.db2.gz AVJHNTNPNBJXIQ-ZDUSSCGKSA-N 1 1 292.345 3.360 20 30 CGEDMO CC[N@@H+](Cc1ccnc(C#N)c1)[C@@H]1CCCC[C@@H]1C ZINC000614916171 348700598 /nfs/dbraw/zinc/70/05/98/348700598.db2.gz QHAQXIVSJSPIMB-XJKSGUPXSA-N 1 1 257.381 3.354 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCc3ccc(O)cc3CC2)cc1F ZINC000616764575 348877770 /nfs/dbraw/zinc/87/77/70/348877770.db2.gz RUFVBPMYCDQCNX-UHFFFAOYSA-N 1 1 296.345 3.004 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)CCCC1 ZINC000617004529 348896971 /nfs/dbraw/zinc/89/69/71/348896971.db2.gz SLTJCAQARPGDOG-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000617848925 349020055 /nfs/dbraw/zinc/02/00/55/349020055.db2.gz BUTVZOGXCOAQDR-UHFFFAOYSA-N 1 1 262.300 3.406 20 30 CGEDMO COc1cc(C[N@@H+](C[C@@H](C)CCC#N)C2CC2)ccc1O ZINC000618888284 349176485 /nfs/dbraw/zinc/17/64/85/349176485.db2.gz VHUYCOFRJABGIA-ZDUSSCGKSA-N 1 1 288.391 3.305 20 30 CGEDMO N#C[C@H]1CC[C@H]([NH2+]Cc2c(F)c(F)cc(F)c2F)C1 ZINC000619673109 349269536 /nfs/dbraw/zinc/26/95/36/349269536.db2.gz UMBRETMGYXCONJ-YUMQZZPRSA-N 1 1 272.245 3.025 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000625658928 350194339 /nfs/dbraw/zinc/19/43/39/350194339.db2.gz MURRAGYCOKSFHP-LSDHHAIUSA-N 1 1 295.373 3.471 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000625701287 350198136 /nfs/dbraw/zinc/19/81/36/350198136.db2.gz IHIZFWVVLQTKMB-SJORKVTESA-N 1 1 298.430 3.047 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000625702221 350199476 /nfs/dbraw/zinc/19/94/76/350199476.db2.gz FPOOJKAGEPFVSI-AWEZNQCLSA-N 1 1 284.403 3.012 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CCC(=O)Nc2cccc(F)c2)C1 ZINC000625702170 350199637 /nfs/dbraw/zinc/19/96/37/350199637.db2.gz DORJILRVHWCVDU-ZDUSSCGKSA-N 1 1 276.355 3.052 20 30 CGEDMO C=C(C)C[NH+]1CCC(N[C@@H](C)c2cnccc2C)CC1 ZINC000271332787 191079594 /nfs/dbraw/zinc/07/95/94/191079594.db2.gz BIYNAVYXOYIXMB-HNNXBMFYSA-N 1 1 273.424 3.081 20 30 CGEDMO C[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CC12CCC2 ZINC000271351583 191090289 /nfs/dbraw/zinc/09/02/89/191090289.db2.gz OMXYDMAVYHRNBZ-WMLDXEAASA-N 1 1 284.403 3.104 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000628405104 350528932 /nfs/dbraw/zinc/52/89/32/350528932.db2.gz CXLJWSNMDIYNLE-HUUCEWRRSA-N 1 1 257.377 3.451 20 30 CGEDMO C=CCn1c(C)nnc1SCc1c(C)cc(C)[nH+]c1C ZINC000631004291 350921134 /nfs/dbraw/zinc/92/11/34/350921134.db2.gz VVVYANXCXZWEAE-UHFFFAOYSA-N 1 1 288.420 3.385 20 30 CGEDMO C=CC[N@H+](Cc1cnc([C@@H]2CCCO2)s1)C1CC1 ZINC000273498660 192177057 /nfs/dbraw/zinc/17/70/57/192177057.db2.gz OVSOVXLDQCZEAB-ZDUSSCGKSA-N 1 1 264.394 3.145 20 30 CGEDMO C=CC[N@@H+](Cc1cnc([C@@H]2CCCO2)s1)C1CC1 ZINC000273498660 192177059 /nfs/dbraw/zinc/17/70/59/192177059.db2.gz OVSOVXLDQCZEAB-ZDUSSCGKSA-N 1 1 264.394 3.145 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC000367381909 234210643 /nfs/dbraw/zinc/21/06/43/234210643.db2.gz ZSGUTIRSOZIFMD-ROUUACIJSA-N 1 1 284.403 3.197 20 30 CGEDMO COC[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000152631614 188033599 /nfs/dbraw/zinc/03/35/99/188033599.db2.gz GGCRBEIVPKUQSE-HNNXBMFYSA-N 1 1 277.795 3.050 20 30 CGEDMO C=CC[N@H+](CCn1ccnc1)Cc1ccc(Cl)s1 ZINC000153194954 188070768 /nfs/dbraw/zinc/07/07/68/188070768.db2.gz WWHKFAYOMPFBNF-UHFFFAOYSA-N 1 1 281.812 3.286 20 30 CGEDMO C=CC[N@H+](C)Cc1cc(Cl)c(OC)c(OCC)c1 ZINC000154780820 188161186 /nfs/dbraw/zinc/16/11/86/188161186.db2.gz FWRGSBSXJFQHRH-UHFFFAOYSA-N 1 1 269.772 3.365 20 30 CGEDMO C[C@H]1C[N@H+](CCC(C)(C)C#N)C[C@H](c2ccccc2)O1 ZINC000157803229 188339232 /nfs/dbraw/zinc/33/92/32/188339232.db2.gz BIPKMCFZKPRONX-GOEBONIOSA-N 1 1 272.392 3.388 20 30 CGEDMO C[C@H]1C[N@@H+](CCC(C)(C)C#N)C[C@H](c2ccccc2)O1 ZINC000157803229 188339234 /nfs/dbraw/zinc/33/92/34/188339234.db2.gz BIPKMCFZKPRONX-GOEBONIOSA-N 1 1 272.392 3.388 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000295187800 199395639 /nfs/dbraw/zinc/39/56/39/199395639.db2.gz ABUBGSHOCHTROQ-CZUORRHYSA-N 1 1 272.392 3.102 20 30 CGEDMO N#Cc1ccccc1N1CCC[N@@H+](Cc2ccsc2)CC1 ZINC000091792595 283215568 /nfs/dbraw/zinc/21/55/68/283215568.db2.gz GSIGVFPFYSIFRN-UHFFFAOYSA-N 1 1 297.427 3.332 20 30 CGEDMO C[C@@H](c1cccnc1)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000111272097 138363885 /nfs/dbraw/zinc/36/38/85/138363885.db2.gz DDPATPMPGSMQHK-AWEZNQCLSA-N 1 1 281.359 3.025 20 30 CGEDMO CC[C@@H]1CC[C@H](C)[N@H+]1CCOc1ccc(C#N)cc1 ZINC000124614187 138376410 /nfs/dbraw/zinc/37/64/10/138376410.db2.gz RLQFGJMBQUXPAG-DZGCQCFKSA-N 1 1 258.365 3.200 20 30 CGEDMO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000126200964 138385305 /nfs/dbraw/zinc/38/53/05/138385305.db2.gz CXBYHSBKBYRIET-IBGZPJMESA-N 1 1 292.382 3.440 20 30 CGEDMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000126200964 138385306 /nfs/dbraw/zinc/38/53/06/138385306.db2.gz CXBYHSBKBYRIET-IBGZPJMESA-N 1 1 292.382 3.440 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCn1cc(Cl)cn1 ZINC000425530038 236257987 /nfs/dbraw/zinc/25/79/87/236257987.db2.gz DEDIVIPXLSNINW-GFCCVEGCSA-N 1 1 288.782 3.101 20 30 CGEDMO Cc1oncc1C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425530363 236258165 /nfs/dbraw/zinc/25/81/65/236258165.db2.gz FABMCQVTAMLZOM-NSHDSACASA-N 1 1 255.321 3.048 20 30 CGEDMO Cc1oncc1C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425530363 236258166 /nfs/dbraw/zinc/25/81/66/236258166.db2.gz FABMCQVTAMLZOM-NSHDSACASA-N 1 1 255.321 3.048 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cncs1 ZINC000425365155 236237795 /nfs/dbraw/zinc/23/77/95/236237795.db2.gz JAEFWLULPGNGKA-LLVKDONJSA-N 1 1 257.362 3.208 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cncs1 ZINC000425365155 236237797 /nfs/dbraw/zinc/23/77/97/236237797.db2.gz JAEFWLULPGNGKA-LLVKDONJSA-N 1 1 257.362 3.208 20 30 CGEDMO Cc1nocc1C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425367343 236238528 /nfs/dbraw/zinc/23/85/28/236238528.db2.gz SMQJJJYOMRMLRC-GFCCVEGCSA-N 1 1 255.321 3.048 20 30 CGEDMO Cc1nocc1C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425367343 236238532 /nfs/dbraw/zinc/23/85/32/236238532.db2.gz SMQJJJYOMRMLRC-GFCCVEGCSA-N 1 1 255.321 3.048 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cnc(C2CC2)nc1 ZINC000425366441 236238669 /nfs/dbraw/zinc/23/86/69/236238669.db2.gz PXTOUDXKFIPQKG-CYBMUJFWSA-N 1 1 292.386 3.419 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cnc(C2CC2)nc1 ZINC000425366441 236238672 /nfs/dbraw/zinc/23/86/72/236238672.db2.gz PXTOUDXKFIPQKG-CYBMUJFWSA-N 1 1 292.386 3.419 20 30 CGEDMO COCCCCC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425540417 236258834 /nfs/dbraw/zinc/25/88/34/236258834.db2.gz VGQUIPOKIWJMPP-CQSZACIVSA-N 1 1 260.381 3.368 20 30 CGEDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437888301 237368159 /nfs/dbraw/zinc/36/81/59/237368159.db2.gz HQSCBXJPIXAHBH-MNOVXSKESA-N 1 1 280.318 3.390 20 30 CGEDMO CCOc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)ccc1O ZINC000297306561 200142347 /nfs/dbraw/zinc/14/23/47/200142347.db2.gz BOGBPLISNSHOMK-UHFFFAOYSA-N 1 1 296.370 3.295 20 30 CGEDMO C[C@H](O)C[N@@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000298141646 200343653 /nfs/dbraw/zinc/34/36/53/200343653.db2.gz LPLYDQYWADGKQT-AWEZNQCLSA-N 1 1 280.371 3.038 20 30 CGEDMO C[C@H](CNCc1ccc(C#N)s1)[N@H+](C)Cc1ccccc1 ZINC000176967487 189017423 /nfs/dbraw/zinc/01/74/23/189017423.db2.gz IXEBVOWZLVNZBI-CQSZACIVSA-N 1 1 299.443 3.230 20 30 CGEDMO C[C@H](CNCc1ccc(C#N)s1)[N@@H+](C)Cc1ccccc1 ZINC000176967487 189017424 /nfs/dbraw/zinc/01/74/24/189017424.db2.gz IXEBVOWZLVNZBI-CQSZACIVSA-N 1 1 299.443 3.230 20 30 CGEDMO N#Cc1ccc(CN2CCC[N@H+](C3CCCC3)CC2)s1 ZINC000179771418 189219702 /nfs/dbraw/zinc/21/97/02/189219702.db2.gz XEWLTZZBQCBEBJ-UHFFFAOYSA-N 1 1 289.448 3.070 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+](Cc1cccnc1)C1CC1 ZINC000180740590 189273236 /nfs/dbraw/zinc/27/32/36/189273236.db2.gz RFHSQGRRCXGQSD-UHFFFAOYSA-N 1 1 293.370 3.126 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](Cc1cccnc1)C1CC1 ZINC000180740590 189273237 /nfs/dbraw/zinc/27/32/37/189273237.db2.gz RFHSQGRRCXGQSD-UHFFFAOYSA-N 1 1 293.370 3.126 20 30 CGEDMO CS[C@H]1CCCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000180754296 189273781 /nfs/dbraw/zinc/27/37/81/189273781.db2.gz YHXYNKQJWPPKKM-LBPRGKRZSA-N 1 1 266.435 3.337 20 30 CGEDMO CC[NH+](CC)Cc1ccc(C#N)cc1Br ZINC000180929837 189284216 /nfs/dbraw/zinc/28/42/16/189284216.db2.gz ZKVPYVAAAQUFDZ-UHFFFAOYSA-N 1 1 267.170 3.163 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1Br)C1CCC1 ZINC000181121342 189289123 /nfs/dbraw/zinc/28/91/23/189289123.db2.gz BUKWZHNFEYEAEM-UHFFFAOYSA-N 1 1 279.181 3.305 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1Br)C1CCC1 ZINC000181121342 189289124 /nfs/dbraw/zinc/28/91/24/189289124.db2.gz BUKWZHNFEYEAEM-UHFFFAOYSA-N 1 1 279.181 3.305 20 30 CGEDMO CC[C@@H](CN[C@@H](C)c1cccc(C#N)c1)[NH+]1CCCC1 ZINC000181477128 189298193 /nfs/dbraw/zinc/29/81/93/189298193.db2.gz XJZFWVLKENKGHE-YOEHRIQHSA-N 1 1 271.408 3.083 20 30 CGEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000342337259 216315360 /nfs/dbraw/zinc/31/53/60/216315360.db2.gz ZOONVPHYBGALFC-BETUJISGSA-N 1 1 296.374 3.371 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+](C)C[C@H]1CCCOC1 ZINC000119753791 370705938 /nfs/dbraw/zinc/70/59/38/370705938.db2.gz MLSPJACHNVOQCW-OAHLLOKOSA-N 1 1 275.392 3.110 20 30 CGEDMO Cc1cccc([C@H]2CCC[N@H+]2CCC(C)(C)C#N)n1 ZINC000119994537 370730882 /nfs/dbraw/zinc/73/08/82/370730882.db2.gz YVHXKUDYMDENOU-OAHLLOKOSA-N 1 1 257.381 3.467 20 30 CGEDMO CC[N@@H+](Cc1ccc(CO)o1)[C@H](C)c1ccc(C#N)cc1 ZINC000119868112 370717332 /nfs/dbraw/zinc/71/73/32/370717332.db2.gz CJNGJPLWCWWVIC-CYBMUJFWSA-N 1 1 284.359 3.227 20 30 CGEDMO Cc1cccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)n1 ZINC000450669444 240028078 /nfs/dbraw/zinc/02/80/78/240028078.db2.gz BCGVFVIHXPQCKB-UHFFFAOYSA-N 1 1 263.344 3.041 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@]3(CCSC3)C2)c1F ZINC000451971807 240387748 /nfs/dbraw/zinc/38/77/48/240387748.db2.gz MDPLHGNPBAALLK-INIZCTEOSA-N 1 1 290.407 3.416 20 30 CGEDMO C=CC[C@@H](C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000275363501 193009960 /nfs/dbraw/zinc/00/99/60/193009960.db2.gz TZWFTDFOTUFOPY-CRAIPNDOSA-N 1 1 298.430 3.113 20 30 CGEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1(C)C ZINC000120625989 370787732 /nfs/dbraw/zinc/78/77/32/370787732.db2.gz FHKLLGNBKKNRLR-HZPDHXFCSA-N 1 1 272.392 3.194 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000121217576 370841374 /nfs/dbraw/zinc/84/13/74/370841374.db2.gz HBZZZOLCPIVSDX-CHWSQXEVSA-N 1 1 286.375 3.116 20 30 CGEDMO C[C@@H]1C[C@H](Nc2c(Cl)cccc2C#N)CC[N@H+]1C ZINC000462885402 242373375 /nfs/dbraw/zinc/37/33/75/242373375.db2.gz UQRKAEZOZIDFEH-ZYHUDNBSSA-N 1 1 263.772 3.106 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)CCS1 ZINC000121591084 370876732 /nfs/dbraw/zinc/87/67/32/370876732.db2.gz KKVDVNLSIRZNSM-OAHLLOKOSA-N 1 1 278.396 3.271 20 30 CGEDMO COc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)o2)c1 ZINC000124226445 370922625 /nfs/dbraw/zinc/92/26/25/370922625.db2.gz ZDLLYMCEGCSMOA-KRWDZBQOSA-N 1 1 282.343 3.497 20 30 CGEDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1CC#Cc1ccccc1 ZINC000124302400 370923688 /nfs/dbraw/zinc/92/36/88/370923688.db2.gz YJBPCLOUDRIIGR-AEFFLSMTSA-N 1 1 271.404 3.054 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000123703919 370915002 /nfs/dbraw/zinc/91/50/02/370915002.db2.gz LYTVYVNFSYQASQ-SJLPKXTDSA-N 1 1 271.404 3.465 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000123703662 370915101 /nfs/dbraw/zinc/91/51/01/370915101.db2.gz LYTVYVNFSYQASQ-FUHWJXTLSA-N 1 1 271.404 3.465 20 30 CGEDMO CC(C)[N@@H+](CC#Cc1ccc(F)cc1)C1CCOCC1 ZINC000125493110 370937029 /nfs/dbraw/zinc/93/70/29/370937029.db2.gz DDROUVGTVBSEBM-UHFFFAOYSA-N 1 1 275.367 3.067 20 30 CGEDMO Cc1ccc(C[N@@H+](C)CCCOc2cccc(C#N)c2)o1 ZINC000035699739 369004174 /nfs/dbraw/zinc/00/41/74/369004174.db2.gz LXCRPDFKKKQQFS-UHFFFAOYSA-N 1 1 284.359 3.361 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000036678907 369024335 /nfs/dbraw/zinc/02/43/35/369024335.db2.gz UKGGELMKBNVMMQ-GFCCVEGCSA-N 1 1 256.271 3.487 20 30 CGEDMO C[C@H](C[NH+]1CCCCC1)N[C@@H](C)c1cccc(C#N)c1 ZINC000037319717 369081645 /nfs/dbraw/zinc/08/16/45/369081645.db2.gz OGXSIMOSWMBLFX-CABCVRRESA-N 1 1 271.408 3.083 20 30 CGEDMO CC[C@H]1CC[C@H](C)[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000330670386 203100029 /nfs/dbraw/zinc/10/00/29/203100029.db2.gz ZFSZKKHZQRSTTD-AAEUAGOBSA-N 1 1 291.420 3.211 20 30 CGEDMO C[C@H](NCC[NH+]1CCCCCC1)c1ccc(C#N)cc1 ZINC000040767277 369161549 /nfs/dbraw/zinc/16/15/49/369161549.db2.gz BEGORPRTKXIXKY-HNNXBMFYSA-N 1 1 271.408 3.085 20 30 CGEDMO COc1cccc(C[N@@H+](C)CCOc2ccc(C#N)cc2)c1 ZINC000042976427 369240068 /nfs/dbraw/zinc/24/00/68/369240068.db2.gz YKMCHIONHFXVMF-UHFFFAOYSA-N 1 1 296.370 3.078 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000046518920 369294968 /nfs/dbraw/zinc/29/49/68/369294968.db2.gz HHVAWAQJQUKZTK-UHFFFAOYSA-N 1 1 281.315 3.098 20 30 CGEDMO CCc1nc(C[NH2+][C@H](C)c2ccc(C#N)cc2)cs1 ZINC000049591235 369412270 /nfs/dbraw/zinc/41/22/70/369412270.db2.gz CHHKQAMYFCGDCL-LLVKDONJSA-N 1 1 271.389 3.428 20 30 CGEDMO CC[N@@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)C1CC1 ZINC000051688445 369452165 /nfs/dbraw/zinc/45/21/65/369452165.db2.gz KMNPCCHCZOFNPF-UHFFFAOYSA-N 1 1 299.418 3.034 20 30 CGEDMO C=CC[N@@H+](CCCn1ccnc1C)CCc1ccccc1 ZINC000127319694 370951163 /nfs/dbraw/zinc/95/11/63/370951163.db2.gz GIMDFDVGZUYAKX-UHFFFAOYSA-N 1 1 283.419 3.312 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000127321357 370951871 /nfs/dbraw/zinc/95/18/71/370951871.db2.gz LWDRMCWQWLJAOS-INIZCTEOSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CC[N@@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000055504677 369519269 /nfs/dbraw/zinc/51/92/69/369519269.db2.gz CLTJPHNFPGJSFL-UHFFFAOYSA-N 1 1 264.800 3.034 20 30 CGEDMO C=CC[N@@H+](CCc1ccnn1CC)CCc1ccccc1 ZINC000276352718 193297666 /nfs/dbraw/zinc/29/76/66/193297666.db2.gz WSVVTUWICMNLEQ-UHFFFAOYSA-N 1 1 283.419 3.176 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)N(CC=C)Cc1cccs1 ZINC000276364901 193301165 /nfs/dbraw/zinc/30/11/65/193301165.db2.gz GEAUGQZDSMJCFR-AWEZNQCLSA-N 1 1 292.448 3.159 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276319163 193286588 /nfs/dbraw/zinc/28/65/88/193286588.db2.gz ODPMWOCUXPVITN-UHFFFAOYSA-N 1 1 252.289 3.132 20 30 CGEDMO C=CCC[N@H+](C)Cc1nc2c(cccc2F)n1CC ZINC000276456428 193338424 /nfs/dbraw/zinc/33/84/24/193338424.db2.gz QEMYOLULSAWXBL-UHFFFAOYSA-N 1 1 261.344 3.203 20 30 CGEDMO CC(C)CC[N@@H+](CCC(=O)Nc1ccccc1C#N)C1CC1 ZINC000063246998 369644466 /nfs/dbraw/zinc/64/44/66/369644466.db2.gz ZUHUBAFUAONGTR-UHFFFAOYSA-N 1 1 299.418 3.397 20 30 CGEDMO CCC(C)(C)[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000072633225 369831481 /nfs/dbraw/zinc/83/14/81/369831481.db2.gz CDANDPFXSSKIJG-UHFFFAOYSA-N 1 1 284.363 3.229 20 30 CGEDMO CC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H](C)C(C)C ZINC000072635957 369832091 /nfs/dbraw/zinc/83/20/91/369832091.db2.gz PETSJMGANOPBTC-AWEZNQCLSA-N 1 1 287.407 3.253 20 30 CGEDMO CC1(C)CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000070258996 369793496 /nfs/dbraw/zinc/79/34/96/369793496.db2.gz GOVGEZXFMRFOFH-UHFFFAOYSA-N 1 1 285.391 3.009 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)Cc1ccc(F)cc1 ZINC000073617520 369862351 /nfs/dbraw/zinc/86/23/51/369862351.db2.gz HANGYBHYEQCDIM-AWEZNQCLSA-N 1 1 292.398 3.071 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(F)cc1 ZINC000073617520 369862354 /nfs/dbraw/zinc/86/23/54/369862354.db2.gz HANGYBHYEQCDIM-AWEZNQCLSA-N 1 1 292.398 3.071 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000076734623 369941931 /nfs/dbraw/zinc/94/19/31/369941931.db2.gz XJCMVENRORCKJD-NSHDSACASA-N 1 1 282.334 3.190 20 30 CGEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(C#N)cs2)C12CCC2 ZINC000092041111 370090456 /nfs/dbraw/zinc/09/04/56/370090456.db2.gz QZIXQRMOUJSHPW-LSDHHAIUSA-N 1 1 290.432 3.399 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCOCC23CCC3)cc1 ZINC000093509801 370139131 /nfs/dbraw/zinc/13/91/31/370139131.db2.gz SRBRDXSFSSUHIF-UHFFFAOYSA-N 1 1 273.376 3.006 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCOCC23CCC3)cc1 ZINC000093509801 370139135 /nfs/dbraw/zinc/13/91/35/370139135.db2.gz SRBRDXSFSSUHIF-UHFFFAOYSA-N 1 1 273.376 3.006 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)Cc1ccc(C#N)cc1 ZINC000109813363 370365929 /nfs/dbraw/zinc/36/59/29/370365929.db2.gz OPVCUNFKYVXHRY-UHFFFAOYSA-N 1 1 255.365 3.320 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(C#N)cc1 ZINC000109813363 370365934 /nfs/dbraw/zinc/36/59/34/370365934.db2.gz OPVCUNFKYVXHRY-UHFFFAOYSA-N 1 1 255.365 3.320 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+](C)Cc1cccs1 ZINC000130402083 371030444 /nfs/dbraw/zinc/03/04/44/371030444.db2.gz RYVIAGCODQRHEU-UHFFFAOYSA-N 1 1 272.373 3.260 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](C)Cc1cccs1 ZINC000130402083 371030449 /nfs/dbraw/zinc/03/04/49/371030449.db2.gz RYVIAGCODQRHEU-UHFFFAOYSA-N 1 1 272.373 3.260 20 30 CGEDMO CC(C)(C#N)CC[NH+]1CCN(c2cc(F)ccc2F)CC1 ZINC000131778450 371129832 /nfs/dbraw/zinc/12/98/32/371129832.db2.gz ASNJNJMVQMOPIR-UHFFFAOYSA-N 1 1 293.361 3.027 20 30 CGEDMO C[C@@H](Cc1ccccc1)C[N@@H+](CCC#N)CC1CC1 ZINC000132307961 371165192 /nfs/dbraw/zinc/16/51/92/371165192.db2.gz ZLHSFLHBFJCZAS-HNNXBMFYSA-N 1 1 256.393 3.491 20 30 CGEDMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1C[C@H](C#N)CCC#N ZINC000132568368 371184962 /nfs/dbraw/zinc/18/49/62/371184962.db2.gz ZDSWKEWXIUUBMP-IJEWVQPXSA-N 1 1 285.366 3.447 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1c1cc(C)no1 ZINC000331826858 204211525 /nfs/dbraw/zinc/21/15/25/204211525.db2.gz NDYWRGCFTXGXGA-HNNXBMFYSA-N 1 1 297.358 3.200 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1c1cc(C)no1 ZINC000331826858 204211530 /nfs/dbraw/zinc/21/15/30/204211530.db2.gz NDYWRGCFTXGXGA-HNNXBMFYSA-N 1 1 297.358 3.200 20 30 CGEDMO C=CCN(C(=O)NCCC[N@H+](C)C1CCCCC1)C1CC1 ZINC000537853887 376203979 /nfs/dbraw/zinc/20/39/79/376203979.db2.gz HAFMBDNBNNPUQN-UHFFFAOYSA-N 1 1 293.455 3.001 20 30 CGEDMO CS[C@H]1CCCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000134565736 371350134 /nfs/dbraw/zinc/35/01/34/371350134.db2.gz DXVQZYTWPWSHNN-HNNXBMFYSA-N 1 1 260.406 3.276 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2)o1 ZINC000135136892 371393109 /nfs/dbraw/zinc/39/31/09/371393109.db2.gz ZPBQSFFWCOKCQZ-UHFFFAOYSA-N 1 1 280.249 3.460 20 30 CGEDMO C[C@H](CN[C@@H](C)c1cccc(C#N)c1)[N@@H+]1CCCC[C@H]1C ZINC000344033641 217020245 /nfs/dbraw/zinc/02/02/45/217020245.db2.gz LEUYXWMTFHYSCR-OAGGEKHMSA-N 1 1 285.435 3.472 20 30 CGEDMO C[C@H](CN[C@@H](C)c1cccc(C#N)c1)[N@H+]1CCCC[C@H]1C ZINC000344033641 217020249 /nfs/dbraw/zinc/02/02/49/217020249.db2.gz LEUYXWMTFHYSCR-OAGGEKHMSA-N 1 1 285.435 3.472 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000287258411 371630313 /nfs/dbraw/zinc/63/03/13/371630313.db2.gz HENUOCFTXDAEAG-JTQLQIEISA-N 1 1 289.301 3.278 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000287258411 371630320 /nfs/dbraw/zinc/63/03/20/371630320.db2.gz HENUOCFTXDAEAG-JTQLQIEISA-N 1 1 289.301 3.278 20 30 CGEDMO C[C@H]1C[C@@H](Nc2cc(C#N)ccn2)C[N@H+]1Cc1ccccc1 ZINC000287981617 371723476 /nfs/dbraw/zinc/72/34/76/371723476.db2.gz UXHSTCCBFAMQHW-WMLDXEAASA-N 1 1 292.386 3.028 20 30 CGEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CC(C)(C)C1 ZINC000344034650 217021699 /nfs/dbraw/zinc/02/16/99/217021699.db2.gz HFUBKERNHGFMEU-CQSZACIVSA-N 1 1 299.418 3.255 20 30 CGEDMO CC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@@H]1CCOC(C)(C)C1 ZINC000289816424 371830812 /nfs/dbraw/zinc/83/08/12/371830812.db2.gz NVBSSNBHWGZQEF-OAHLLOKOSA-N 1 1 290.382 3.477 20 30 CGEDMO CC(C)[N@@H+](C)CCNc1ccc(C(F)(F)F)c(C#N)c1 ZINC000154048435 371814431 /nfs/dbraw/zinc/81/44/31/371814431.db2.gz RDOLDPQQRPCNHB-UHFFFAOYSA-N 1 1 285.313 3.329 20 30 CGEDMO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCOC(C)(C)C1 ZINC000289910362 371851865 /nfs/dbraw/zinc/85/18/65/371851865.db2.gz TTYKXDHTZSWRHW-MRXNPFEDSA-N 1 1 290.382 3.477 20 30 CGEDMO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2F)CCC1(F)F ZINC000289965570 371864885 /nfs/dbraw/zinc/86/48/85/371864885.db2.gz WVTDCHWZLVXKMX-JTQLQIEISA-N 1 1 268.282 3.174 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2F)CCC1(F)F ZINC000289965570 371864888 /nfs/dbraw/zinc/86/48/88/371864888.db2.gz WVTDCHWZLVXKMX-JTQLQIEISA-N 1 1 268.282 3.174 20 30 CGEDMO C#CC[N@@H+](Cc1nc2ccccc2o1)C1CCCC1 ZINC000155811400 371945056 /nfs/dbraw/zinc/94/50/56/371945056.db2.gz RITKZIWXTLMSOP-UHFFFAOYSA-N 1 1 254.333 3.206 20 30 CGEDMO CCCC[C@@H](C)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000290097731 371903100 /nfs/dbraw/zinc/90/31/00/371903100.db2.gz ZZHZROLLKBHOOK-CZUORRHYSA-N 1 1 260.381 3.102 20 30 CGEDMO COc1ccc(C[N@@H+](C)C[C@H]2CC=CCC2)cc1C#N ZINC000344096020 217046237 /nfs/dbraw/zinc/04/62/37/217046237.db2.gz WLYWUDQVLSGNDJ-AWEZNQCLSA-N 1 1 270.376 3.355 20 30 CGEDMO CC1(C)C[N@@H+](CC#Cc2ccc(F)cc2)CCS1 ZINC000156698018 371992138 /nfs/dbraw/zinc/99/21/38/371992138.db2.gz DIICKQIEWLWSAV-UHFFFAOYSA-N 1 1 263.381 3.005 20 30 CGEDMO CCOc1ccc(C[N@H+](CC)C[C@@H](C)C#N)cc1OCC ZINC000157622462 372029349 /nfs/dbraw/zinc/02/93/49/372029349.db2.gz RFKKHVKTDGDLGE-AWEZNQCLSA-N 1 1 290.407 3.466 20 30 CGEDMO CCOc1ccc(C[N@@H+](CC)C[C@@H](C)C#N)cc1OCC ZINC000157622462 372029352 /nfs/dbraw/zinc/02/93/52/372029352.db2.gz RFKKHVKTDGDLGE-AWEZNQCLSA-N 1 1 290.407 3.466 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cccc2c1OCCCO2 ZINC000158118461 372054591 /nfs/dbraw/zinc/05/45/91/372054591.db2.gz RLJZBANVZCEQBT-UHFFFAOYSA-N 1 1 259.349 3.022 20 30 CGEDMO C=CC[N@@H+](CCOCC1CC1)Cc1cccs1 ZINC000158522613 372071451 /nfs/dbraw/zinc/07/14/51/372071451.db2.gz AUSHGEKSWQOQCG-UHFFFAOYSA-N 1 1 251.395 3.163 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)CC)nc1 ZINC000426570441 372165352 /nfs/dbraw/zinc/16/53/52/372165352.db2.gz LEZDKMMJUNWEGZ-HNNXBMFYSA-N 1 1 259.397 3.078 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H]1C1CCC1 ZINC000159698827 372169554 /nfs/dbraw/zinc/16/95/54/372169554.db2.gz AHOGPOFKYMXOJD-INIZCTEOSA-N 1 1 258.340 3.462 20 30 CGEDMO C=C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000428045970 372178816 /nfs/dbraw/zinc/17/88/16/372178816.db2.gz SKJSCJSJVMSDMD-HZPDHXFCSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCCCCC[N@@H+](C)Cc1nnc(C(C)C)[nH]1 ZINC000292369034 372188215 /nfs/dbraw/zinc/18/82/15/372188215.db2.gz GKTGHUXPBNPOSP-UHFFFAOYSA-N 1 1 250.390 3.106 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1nnc(C(C)C)[nH]1 ZINC000292369034 372188220 /nfs/dbraw/zinc/18/82/20/372188220.db2.gz GKTGHUXPBNPOSP-UHFFFAOYSA-N 1 1 250.390 3.106 20 30 CGEDMO C[N@@H+](Cc1cccc(F)c1C#N)C(C1CC1)C1CC1 ZINC000428416917 372195445 /nfs/dbraw/zinc/19/54/45/372195445.db2.gz BQWFEQLJHUCLOH-UHFFFAOYSA-N 1 1 258.340 3.318 20 30 CGEDMO CC#CC[N@@H+](C)Cc1ccc(OCc2cccnc2)cc1 ZINC000293088684 372296511 /nfs/dbraw/zinc/29/65/11/372296511.db2.gz KEEFUFPNCBWFGP-UHFFFAOYSA-N 1 1 280.371 3.116 20 30 CGEDMO C[C@@H]1CCC[C@@H](C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000428785651 372263699 /nfs/dbraw/zinc/26/36/99/372263699.db2.gz VEHLWIYDEWUHOR-BFYDXBDKSA-N 1 1 299.418 3.233 20 30 CGEDMO CC(C)C[C@H](C)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428773645 372263770 /nfs/dbraw/zinc/26/37/70/372263770.db2.gz SAJOERGYFVWUSN-HOCLYGCPSA-N 1 1 287.407 3.089 20 30 CGEDMO CC(C)(C)CCC[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428807255 372265659 /nfs/dbraw/zinc/26/56/59/372265659.db2.gz QTYKPZOSJIMJBD-HNNXBMFYSA-N 1 1 287.407 3.233 20 30 CGEDMO C[C@H]1CC2(CCC2)C[N@H+]1Cc1cccc(F)c1C#N ZINC000428942123 372286883 /nfs/dbraw/zinc/28/68/83/372286883.db2.gz AACYREASMPEUST-LBPRGKRZSA-N 1 1 258.340 3.462 20 30 CGEDMO C=CCOCC[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000293300896 372349705 /nfs/dbraw/zinc/34/97/05/372349705.db2.gz ZKFQWIOGRJGKGW-UHFFFAOYSA-N 1 1 289.419 3.118 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)[C@H](C)c1ccccc1F ZINC000429713699 372376726 /nfs/dbraw/zinc/37/67/26/372376726.db2.gz DWLFJGGNZXSHLK-CQSZACIVSA-N 1 1 264.388 3.326 20 30 CGEDMO C=CCN(C)CC[N@@H+](CC)[C@H](C)c1ccccc1F ZINC000429713699 372376733 /nfs/dbraw/zinc/37/67/33/372376733.db2.gz DWLFJGGNZXSHLK-CQSZACIVSA-N 1 1 264.388 3.326 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)[C@H](C)c1ccccc1F ZINC000429713699 372376737 /nfs/dbraw/zinc/37/67/37/372376737.db2.gz DWLFJGGNZXSHLK-CQSZACIVSA-N 1 1 264.388 3.326 20 30 CGEDMO C=CCC(C)(C)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000429849565 372379560 /nfs/dbraw/zinc/37/95/60/372379560.db2.gz SLZGXBWCVHGDHU-IYBDPMFKSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccnn1-c1ccccc1OC ZINC000430759246 372396520 /nfs/dbraw/zinc/39/65/20/372396520.db2.gz FQIFAYHMYZLUFU-UHFFFAOYSA-N 1 1 285.391 3.279 20 30 CGEDMO CSCC[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000162930981 372435253 /nfs/dbraw/zinc/43/52/53/372435253.db2.gz PUWSRYLXQFGVAM-UHFFFAOYSA-N 1 1 254.786 3.006 20 30 CGEDMO CSCC[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000162930981 372435260 /nfs/dbraw/zinc/43/52/60/372435260.db2.gz PUWSRYLXQFGVAM-UHFFFAOYSA-N 1 1 254.786 3.006 20 30 CGEDMO C=CCC(C)(C)CNC(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000432071621 372533861 /nfs/dbraw/zinc/53/38/61/372533861.db2.gz KUXOYXSUSRBUEM-GJZGRUSLSA-N 1 1 295.471 3.008 20 30 CGEDMO Cc1nnc(C[NH2+][C@@H](CCCC#N)c2ccccc2)s1 ZINC000433019549 372577535 /nfs/dbraw/zinc/57/75/35/372577535.db2.gz OCSRHRJTCUJTMY-AWEZNQCLSA-N 1 1 286.404 3.371 20 30 CGEDMO CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000171428769 372758410 /nfs/dbraw/zinc/75/84/10/372758410.db2.gz BEBTUNHMIXCDPS-MRXNPFEDSA-N 1 1 299.418 3.301 20 30 CGEDMO C=CC[N@H+](CC[C@@H]1CCOC1)Cc1cccc([N+](=O)[O-])c1 ZINC000437691722 372855176 /nfs/dbraw/zinc/85/51/76/372855176.db2.gz ZFMSOADSQMOCRQ-CQSZACIVSA-N 1 1 290.363 3.009 20 30 CGEDMO CC1(C)C[C@H](O)CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000296209737 373053480 /nfs/dbraw/zinc/05/34/80/373053480.db2.gz VPWDUIDINWNKMO-MRXNPFEDSA-N 1 1 291.822 3.174 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000442690091 373065644 /nfs/dbraw/zinc/06/56/44/373065644.db2.gz VKAQRYUFQZZWEY-MAUKXSAKSA-N 1 1 297.446 3.283 20 30 CGEDMO N#C[C@@H]1CC[C@H](NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC000442764297 373076037 /nfs/dbraw/zinc/07/60/37/373076037.db2.gz HTTBNLGAQQWHPC-SQNIBIBYSA-N 1 1 289.467 3.313 20 30 CGEDMO N#C[C@@H]1CC[C@H](NC[C@@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC000442764297 373076042 /nfs/dbraw/zinc/07/60/42/373076042.db2.gz HTTBNLGAQQWHPC-SQNIBIBYSA-N 1 1 289.467 3.313 20 30 CGEDMO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCN2CC2CCCCC2)C1 ZINC000442764297 373076048 /nfs/dbraw/zinc/07/60/48/373076048.db2.gz HTTBNLGAQQWHPC-SQNIBIBYSA-N 1 1 289.467 3.313 20 30 CGEDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000443334767 373151489 /nfs/dbraw/zinc/15/14/89/373151489.db2.gz NBELWFRBWQONHR-CPUCHLNUSA-N 1 1 291.822 3.173 20 30 CGEDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000443337897 373151968 /nfs/dbraw/zinc/15/19/68/373151968.db2.gz WCPLELAZGKVEFM-KEYYUXOJSA-N 1 1 291.822 3.173 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)c1 ZINC000443779164 373161116 /nfs/dbraw/zinc/16/11/16/373161116.db2.gz ILWJMDASALPRNN-HDMKZQKVSA-N 1 1 289.419 3.233 20 30 CGEDMO COC[C@]1(C)CC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000296527459 373166526 /nfs/dbraw/zinc/16/65/26/373166526.db2.gz APQDUDLTIKSAPT-OAHLLOKOSA-N 1 1 278.783 3.070 20 30 CGEDMO COC[C@]1(C)CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000296527459 373166534 /nfs/dbraw/zinc/16/65/34/373166534.db2.gz APQDUDLTIKSAPT-OAHLLOKOSA-N 1 1 278.783 3.070 20 30 CGEDMO CC(C)c1ncc(C[N@@H+](C)CC(C)(C)CCC#N)cn1 ZINC000443064685 373148945 /nfs/dbraw/zinc/14/89/45/373148945.db2.gz GQUXGRHLKVKUHY-UHFFFAOYSA-N 1 1 274.412 3.362 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H]1CCCC[C@H]1CC ZINC000444663301 373223547 /nfs/dbraw/zinc/22/35/47/373223547.db2.gz KLBKCPZHVZWPMK-HZPDHXFCSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CC[C@H]1[N@@H+](CCC(=O)N2CCC[C@H]2C)CCCC1(C)C ZINC000444779257 373272262 /nfs/dbraw/zinc/27/22/62/373272262.db2.gz BKUNZYVYCDPSDN-HZPDHXFCSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2nccn2CC)CCCC1(C)C ZINC000444780497 373272507 /nfs/dbraw/zinc/27/25/07/373272507.db2.gz FLIBNMFXBVJQHY-CQSZACIVSA-N 1 1 261.413 3.470 20 30 CGEDMO C=CC[C@H]1[N@H+](CCCn2ccnc2)CCCC1(C)C ZINC000444785847 373273807 /nfs/dbraw/zinc/27/38/07/373273807.db2.gz ZRMAJCVFWZIPNA-OAHLLOKOSA-N 1 1 261.413 3.340 20 30 CGEDMO CC[C@@]1(C)C[N@@H+](CCCCC(C)(C)C#N)CCO1 ZINC000444688727 373235927 /nfs/dbraw/zinc/23/59/27/373235927.db2.gz KQHHWEAFGRGQTH-HNNXBMFYSA-N 1 1 252.402 3.207 20 30 CGEDMO C[C@@H]1CC[C@@](CO)([N@@H+](C)CCCCC(C)(C)C#N)C1 ZINC000444687747 373237157 /nfs/dbraw/zinc/23/71/57/373237157.db2.gz WJRVANIYLQBMHW-GDBMZVCRSA-N 1 1 266.429 3.189 20 30 CGEDMO CC(C)[N@@H+](C)Cc1ccccc1CNCc1ccc(C#N)o1 ZINC000174268211 373279943 /nfs/dbraw/zinc/27/99/43/373279943.db2.gz SGLVORSTFWAAAY-UHFFFAOYSA-N 1 1 297.402 3.281 20 30 CGEDMO C[N@@H+](CCc1cccs1)Cc1ccc(F)cc1C#N ZINC000174149570 373257257 /nfs/dbraw/zinc/25/72/57/373257257.db2.gz QQOKRKOAOQYILB-UHFFFAOYSA-N 1 1 274.364 3.433 20 30 CGEDMO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000444804516 373278824 /nfs/dbraw/zinc/27/88/24/373278824.db2.gz POWHPCLAJOITJS-OAHLLOKOSA-N 1 1 292.810 3.169 20 30 CGEDMO C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000444804516 373278830 /nfs/dbraw/zinc/27/88/30/373278830.db2.gz POWHPCLAJOITJS-OAHLLOKOSA-N 1 1 292.810 3.169 20 30 CGEDMO CCC[C@]1(CO)CCC[N@H+]1CC#Cc1ccccc1Cl ZINC000444765864 373265138 /nfs/dbraw/zinc/26/51/38/373265138.db2.gz LNKQONFPBGYTON-QGZVFWFLSA-N 1 1 291.822 3.319 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2cc(C)n(C)n2)CCCC1(C)C ZINC000444773939 373270043 /nfs/dbraw/zinc/27/00/43/373270043.db2.gz GXTGYXPIEBCCJJ-HNNXBMFYSA-N 1 1 261.413 3.295 20 30 CGEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H](O)C2)cc1 ZINC000298087129 373289762 /nfs/dbraw/zinc/28/97/62/373289762.db2.gz JFGOOYRELDDVJB-GOSISDBHSA-N 1 1 292.382 3.182 20 30 CGEDMO C=CCC[N@H+](CC)CC1CCN(c2ccccn2)CC1 ZINC000174391349 373305445 /nfs/dbraw/zinc/30/54/45/373305445.db2.gz PXLTYKVJVMRMCJ-UHFFFAOYSA-N 1 1 273.424 3.196 20 30 CGEDMO C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)C1(CO)CC1 ZINC000298615413 373364979 /nfs/dbraw/zinc/36/49/79/373364979.db2.gz UHGBSFALEGFTCM-UHFFFAOYSA-N 1 1 292.382 3.182 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2ccc(C(=O)OC)[nH]2)CCCC1(C)C ZINC000446828998 373366879 /nfs/dbraw/zinc/36/68/79/373366879.db2.gz BWQCKOJOUUNICP-OAHLLOKOSA-N 1 1 290.407 3.368 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2cnn(CC)c2)CCCC1(C)C ZINC000446837334 373369989 /nfs/dbraw/zinc/36/99/89/373369989.db2.gz YZWHKUZUYDTGDT-OAHLLOKOSA-N 1 1 261.413 3.470 20 30 CGEDMO N#Cc1ccc(OCC[N@H+]2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000298777627 373407215 /nfs/dbraw/zinc/40/72/15/373407215.db2.gz RZRWEWXKIDNLEX-KRWDZBQOSA-N 1 1 281.359 3.102 20 30 CGEDMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCCCC#N ZINC000175386221 373461172 /nfs/dbraw/zinc/46/11/72/373461172.db2.gz QWONJPZWFCZLOQ-BFUOFWGJSA-N 1 1 278.421 3.111 20 30 CGEDMO CC(C)(C)[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)CCO1 ZINC000447833645 373503402 /nfs/dbraw/zinc/50/34/02/373503402.db2.gz IZBNMUKVWBSEDT-AWEZNQCLSA-N 1 1 266.429 3.453 20 30 CGEDMO C=CC(C)(C)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000448958392 373651454 /nfs/dbraw/zinc/65/14/54/373651454.db2.gz XBDFHHILJDFJSU-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO CC[C@H](C)C[N@@H+](CC)CCC(=O)Nc1sccc1C#N ZINC000177849983 373716055 /nfs/dbraw/zinc/71/60/55/373716055.db2.gz PHTMGEXKXYYDSI-LBPRGKRZSA-N 1 1 293.436 3.316 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2nccnc2OC)CCCC1(C)C ZINC000449284762 373676704 /nfs/dbraw/zinc/67/67/04/373676704.db2.gz PXLNQGWDTNLXKF-AWEZNQCLSA-N 1 1 275.396 3.052 20 30 CGEDMO C=C(C)COc1cc(C[N@@H+]2CC[C@H](F)C2)ccc1OC ZINC000449389142 373687138 /nfs/dbraw/zinc/68/71/38/373687138.db2.gz RKVNXXXNZAOQJA-AWEZNQCLSA-N 1 1 279.355 3.194 20 30 CGEDMO C=C(C)COc1cc(C[N@H+]2CC[C@H](F)C2)ccc1OC ZINC000449389142 373687143 /nfs/dbraw/zinc/68/71/43/373687143.db2.gz RKVNXXXNZAOQJA-AWEZNQCLSA-N 1 1 279.355 3.194 20 30 CGEDMO C=CCc1cc(C[N@H+]2CC[C@@H]2C2CC2)cc(OC)c1O ZINC000449427841 373703492 /nfs/dbraw/zinc/70/34/92/373703492.db2.gz PYOGEWLKYWAVCV-OAHLLOKOSA-N 1 1 273.376 3.114 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2cccc(C#N)n2)C1 ZINC000301276974 373724942 /nfs/dbraw/zinc/72/49/42/373724942.db2.gz MHUQWVCZYZYJBR-GASCZTMLSA-N 1 1 286.423 3.123 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@@H](OC)C(C)(C)C1 ZINC000449506197 373804461 /nfs/dbraw/zinc/80/44/61/373804461.db2.gz YPIZWZZQAULTCA-QGZVFWFLSA-N 1 1 289.419 3.498 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@]3(CCOC3)C2)cc1 ZINC000449689338 373839802 /nfs/dbraw/zinc/83/98/02/373839802.db2.gz ZGPXBCDXGWXHCE-GOSISDBHSA-N 1 1 287.403 3.254 20 30 CGEDMO CO[C@H]1C[C@@H]([N@@H+](C)CC(C)(C)CCC#N)C12CCC2 ZINC000449635863 373836431 /nfs/dbraw/zinc/83/64/31/373836431.db2.gz VCFZLXIBVRSUIZ-KGLIPLIRSA-N 1 1 264.413 3.206 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCCC[C@H]2COC)c1 ZINC000449756437 373884385 /nfs/dbraw/zinc/88/43/85/373884385.db2.gz BEMQSEDIUOOLFZ-INIZCTEOSA-N 1 1 275.392 3.252 20 30 CGEDMO COc1ccc([C@@H](C)C[N@@H+](CCC#N)CC2CC2)cc1 ZINC000180057635 373961553 /nfs/dbraw/zinc/96/15/53/373961553.db2.gz HJIIWKDOSJYLDC-AWEZNQCLSA-N 1 1 272.392 3.424 20 30 CGEDMO Cn1cc(C[N@H+](CCC#N)CC2CC2)c(-c2ccccc2)n1 ZINC000180058529 373962216 /nfs/dbraw/zinc/96/22/16/373962216.db2.gz WQZGMMWXAULZII-UHFFFAOYSA-N 1 1 294.402 3.213 20 30 CGEDMO Cn1cc(C[N@@H+](CCC#N)CC2CC2)c(-c2ccccc2)n1 ZINC000180058529 373962223 /nfs/dbraw/zinc/96/22/23/373962223.db2.gz WQZGMMWXAULZII-UHFFFAOYSA-N 1 1 294.402 3.213 20 30 CGEDMO CC(C)[C@H]1[N@@H+](Cc2cc(C#N)n(C)c2)CC12CCCC2 ZINC000449792178 373926795 /nfs/dbraw/zinc/92/67/95/373926795.db2.gz RZPIZWLVIBWBDD-MRXNPFEDSA-N 1 1 271.408 3.297 20 30 CGEDMO CN(CC[N@H+](C)Cc1ccc(F)cc1C#N)c1ccccc1 ZINC000303261040 374013653 /nfs/dbraw/zinc/01/36/53/374013653.db2.gz FDTYYYJQUYRWOS-UHFFFAOYSA-N 1 1 297.377 3.266 20 30 CGEDMO CN(CC[N@@H+](C)Cc1ccc(F)cc1C#N)c1ccccc1 ZINC000303261040 374013665 /nfs/dbraw/zinc/01/36/65/374013665.db2.gz FDTYYYJQUYRWOS-UHFFFAOYSA-N 1 1 297.377 3.266 20 30 CGEDMO CCS[C@H]1CC[C@@H]([N@@H+](C)CC2(C#N)CCC2)C1 ZINC000450457830 374144002 /nfs/dbraw/zinc/14/40/02/374144002.db2.gz SLISRUJUWFFWAV-OLZOCXBDSA-N 1 1 252.427 3.286 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)C[C@@H](O)[C@H](C)c1ccccc1 ZINC000450463580 374146930 /nfs/dbraw/zinc/14/69/30/374146930.db2.gz QDZXXENXGXWDKS-SJLPKXTDSA-N 1 1 288.435 3.413 20 30 CGEDMO C=CC[N@H+](Cc1ccc(Cl)c(OC)c1)C1CC1 ZINC000450650196 374167542 /nfs/dbraw/zinc/16/75/42/374167542.db2.gz YYHQLCUFLWJYOO-UHFFFAOYSA-N 1 1 251.757 3.499 20 30 CGEDMO COC[C@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)CC1 ZINC000452080302 374228248 /nfs/dbraw/zinc/22/82/48/374228248.db2.gz ISUCXUMCFSOEMV-HNNXBMFYSA-N 1 1 297.402 3.059 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](N(C)Cc2ccc(C#N)cc2Cl)C1 ZINC000452117126 374240110 /nfs/dbraw/zinc/24/01/10/374240110.db2.gz NVCHHMPOWQTDCG-HNNXBMFYSA-N 1 1 291.826 3.126 20 30 CGEDMO CCC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)CC(C)C ZINC000315012140 374324819 /nfs/dbraw/zinc/32/48/19/374324819.db2.gz UENLXZAPGKHEMZ-UHFFFAOYSA-N 1 1 287.407 3.255 20 30 CGEDMO CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000316121562 374333184 /nfs/dbraw/zinc/33/31/84/374333184.db2.gz DHBKJZFQSURVLW-GJZGRUSLSA-N 1 1 299.418 3.397 20 30 CGEDMO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]C[C@H](C)C#N ZINC000183838628 374464031 /nfs/dbraw/zinc/46/40/31/374464031.db2.gz ZNLMUTMVDBTNSP-CQSZACIVSA-N 1 1 296.418 3.106 20 30 CGEDMO Cc1cc(C[NH2+]C[C@H](C)C#N)ccc1Oc1cccnc1 ZINC000183825679 374461969 /nfs/dbraw/zinc/46/19/69/374461969.db2.gz VPFKLQXPRIGYMN-CYBMUJFWSA-N 1 1 281.359 3.432 20 30 CGEDMO CC[C@]1(C)CCC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000464782734 374899030 /nfs/dbraw/zinc/89/90/30/374899030.db2.gz ZSQWJLTVCZWHFH-QGZVFWFLSA-N 1 1 272.392 3.449 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+](C)CC1(N(C)C)CCC1 ZINC000186999755 374953306 /nfs/dbraw/zinc/95/33/06/374953306.db2.gz CNXQDPJVENIJQE-CQSZACIVSA-N 1 1 271.408 3.035 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CC1(N(C)C)CCC1 ZINC000186999755 374953315 /nfs/dbraw/zinc/95/33/15/374953315.db2.gz CNXQDPJVENIJQE-CQSZACIVSA-N 1 1 271.408 3.035 20 30 CGEDMO C[N@H+](Cc1ccc(Cl)cc1C#N)C[C@@H]1CCCOC1 ZINC000187006788 374955491 /nfs/dbraw/zinc/95/54/91/374955491.db2.gz DTNNZKXWLXHQQF-LBPRGKRZSA-N 1 1 278.783 3.070 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000467295070 374974381 /nfs/dbraw/zinc/97/43/81/374974381.db2.gz HYABNIBWWGAHSQ-HNNXBMFYSA-N 1 1 294.464 3.459 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)N[C@H](c1ccccc1)C(C)C ZINC000467297751 374974490 /nfs/dbraw/zinc/97/44/90/374974490.db2.gz QTUJLJSWSNKYJJ-KRWDZBQOSA-N 1 1 274.408 3.008 20 30 CGEDMO C=CCOCCC[N@H+](CCC)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000470769203 374998873 /nfs/dbraw/zinc/99/88/73/374998873.db2.gz KXAWVPJTAGOADU-OAGGEKHMSA-N 1 1 281.440 3.105 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000470773267 374999503 /nfs/dbraw/zinc/99/95/03/374999503.db2.gz OCYZBUZJDKWWND-OAHLLOKOSA-N 1 1 263.356 3.208 20 30 CGEDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC#Cc1ccccc1 ZINC000470939111 375001811 /nfs/dbraw/zinc/00/18/11/375001811.db2.gz BWSBFHKWWYTYAN-OCCSQVGLSA-N 1 1 267.294 3.311 20 30 CGEDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC#Cc1ccccc1 ZINC000470939111 375001814 /nfs/dbraw/zinc/00/18/14/375001814.db2.gz BWSBFHKWWYTYAN-OCCSQVGLSA-N 1 1 267.294 3.311 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000187713953 375079662 /nfs/dbraw/zinc/07/96/62/375079662.db2.gz BQEDSNOAPAZISC-MPGHIAIKSA-N 1 1 294.402 3.399 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)cc1 ZINC000475268801 375132150 /nfs/dbraw/zinc/13/21/50/375132150.db2.gz KXNBSADGXRJASN-KSSFIOAISA-N 1 1 287.403 3.251 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000483410757 375180187 /nfs/dbraw/zinc/18/01/87/375180187.db2.gz TUMZEFPADFRLNH-IRXDYDNUSA-N 1 1 277.383 3.116 20 30 CGEDMO C[C@H]1Cc2ccccc2C[N@H+]1CC#Cc1ccccc1 ZINC000483956991 375185284 /nfs/dbraw/zinc/18/52/84/375185284.db2.gz NCFCKQLDVQDVQM-INIZCTEOSA-N 1 1 261.368 3.485 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000335419857 375278200 /nfs/dbraw/zinc/27/82/00/375278200.db2.gz OLFINKXPHAJTDZ-HNNXBMFYSA-N 1 1 281.334 3.082 20 30 CGEDMO C=CCCCCC[N@H+](C)C1(C(=O)OC)CCCC1 ZINC000488142663 375304651 /nfs/dbraw/zinc/30/46/51/375304651.db2.gz CMPSAAPVILCERM-UHFFFAOYSA-N 1 1 253.386 3.150 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000489507189 375318248 /nfs/dbraw/zinc/31/82/48/375318248.db2.gz IFOJFXSYLFMFHR-INIZCTEOSA-N 1 1 270.376 3.368 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CCC[C@H]2c2cccnc2)c1 ZINC000335716749 375371422 /nfs/dbraw/zinc/37/14/22/375371422.db2.gz VKQMRVCSYZKEJJ-HNNXBMFYSA-N 1 1 269.373 3.352 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@H]2c2cccnc2)c1 ZINC000335716749 375371430 /nfs/dbraw/zinc/37/14/30/375371430.db2.gz VKQMRVCSYZKEJJ-HNNXBMFYSA-N 1 1 269.373 3.352 20 30 CGEDMO CO[C@]1(C)CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000335820024 375456852 /nfs/dbraw/zinc/45/68/52/375456852.db2.gz RXIOOYVQCRPKNI-MRXNPFEDSA-N 1 1 276.355 3.088 20 30 CGEDMO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000335825722 375462106 /nfs/dbraw/zinc/46/21/06/375462106.db2.gz QVRMTIUPKGXMGM-MFKMUULPSA-N 1 1 285.313 3.060 20 30 CGEDMO CC(C)CC[N@@H+](C/C=C\c1ccncc1)CCC#N ZINC000494918108 375496113 /nfs/dbraw/zinc/49/61/13/375496113.db2.gz CXFAQXNBHVLIJJ-HYXAFXHYSA-N 1 1 257.381 3.357 20 30 CGEDMO CC(C)CC[N@H+](C/C=C\c1ccncc1)CCC#N ZINC000494918108 375496117 /nfs/dbraw/zinc/49/61/17/375496117.db2.gz CXFAQXNBHVLIJJ-HYXAFXHYSA-N 1 1 257.381 3.357 20 30 CGEDMO N#Cc1csc(C[NH2+][C@@H]2CCCc3ccccc32)n1 ZINC000335871665 375500461 /nfs/dbraw/zinc/50/04/61/375500461.db2.gz YBPPEHCBNDBDAW-CQSZACIVSA-N 1 1 269.373 3.182 20 30 CGEDMO Cc1cc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)ccc1C#N ZINC000335875801 375505771 /nfs/dbraw/zinc/50/57/71/375505771.db2.gz ARUPRJCZNFBYBO-LSDHHAIUSA-N 1 1 276.330 3.344 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000121170203 542014922 /nfs/dbraw/zinc/01/49/22/542014922.db2.gz QRRHCOPCCLBWRG-INIZCTEOSA-N 1 1 297.402 3.354 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1 ZINC000121170203 542014925 /nfs/dbraw/zinc/01/49/25/542014925.db2.gz QRRHCOPCCLBWRG-INIZCTEOSA-N 1 1 297.402 3.354 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1 ZINC000121170203 542014929 /nfs/dbraw/zinc/01/49/29/542014929.db2.gz QRRHCOPCCLBWRG-INIZCTEOSA-N 1 1 297.402 3.354 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1C[C@@H](C)OC[C@@H]1CC ZINC000505608935 375660298 /nfs/dbraw/zinc/66/02/98/375660298.db2.gz HUVUOLWKDJDHSJ-ZBFHGGJFSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1C[C@@H](C)OC[C@@H]1CC ZINC000505608935 375660305 /nfs/dbraw/zinc/66/03/05/375660305.db2.gz HUVUOLWKDJDHSJ-ZBFHGGJFSA-N 1 1 275.392 3.251 20 30 CGEDMO C[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)c1cccc(F)c1F ZINC000191528791 375638396 /nfs/dbraw/zinc/63/83/96/375638396.db2.gz MRIRJFQIEMQGHL-SNVBAGLBSA-N 1 1 275.302 3.026 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N[C@H](C)CCC ZINC000502466841 375645764 /nfs/dbraw/zinc/64/57/64/375645764.db2.gz IHVNYYLLDAVBMN-HZPDHXFCSA-N 1 1 288.435 3.368 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N[C@H](C)CCC ZINC000502466841 375645772 /nfs/dbraw/zinc/64/57/72/375645772.db2.gz IHVNYYLLDAVBMN-HZPDHXFCSA-N 1 1 288.435 3.368 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000505884227 375663404 /nfs/dbraw/zinc/66/34/04/375663404.db2.gz HBHRNUCSJJFZAX-ASDDNKKMSA-N 1 1 271.404 3.491 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)c(F)c1)Cc1ccccc1F ZINC000191869410 375671479 /nfs/dbraw/zinc/67/14/79/375671479.db2.gz FHLAXHRITCQZEG-UHFFFAOYSA-N 1 1 272.298 3.468 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)Cc1ccccc1F ZINC000191869410 375671486 /nfs/dbraw/zinc/67/14/86/375671486.db2.gz FHLAXHRITCQZEG-UHFFFAOYSA-N 1 1 272.298 3.468 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]2c2cccnc2)c1 ZINC000336521881 375802995 /nfs/dbraw/zinc/80/29/95/375802995.db2.gz XGZGYAHCTFJKKY-QGZVFWFLSA-N 1 1 263.344 3.290 20 30 CGEDMO CC(C)[N@H+](CC(=O)Nc1sccc1C#N)CC1CCC1 ZINC000193201491 375840245 /nfs/dbraw/zinc/84/02/45/375840245.db2.gz XUGUNGRPBHJEDF-UHFFFAOYSA-N 1 1 291.420 3.069 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2F)CCC1(F)F ZINC000336583773 375851497 /nfs/dbraw/zinc/85/14/97/375851497.db2.gz VWLSAACSMVNYEV-SNVBAGLBSA-N 1 1 268.282 3.174 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2F)CCC1(F)F ZINC000336583773 375851502 /nfs/dbraw/zinc/85/15/02/375851502.db2.gz VWLSAACSMVNYEV-SNVBAGLBSA-N 1 1 268.282 3.174 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@](C)(CCC)C1 ZINC000525268892 375881308 /nfs/dbraw/zinc/88/13/08/375881308.db2.gz VGJFXMILQJWQHP-KRWDZBQOSA-N 1 1 280.456 3.313 20 30 CGEDMO C[C@H]1CC[N@@H+](C[C@@H](O)CC2(C#N)CC2)CC12CCCCC2 ZINC000528447622 375902574 /nfs/dbraw/zinc/90/25/74/375902574.db2.gz BAAFCIILEAVART-HOTGVXAUSA-N 1 1 290.451 3.333 20 30 CGEDMO CC1(C)C[N@@H+](C[C@H](O)CC2(C#N)CC2)[C@@H]1c1cccs1 ZINC000528508545 375903381 /nfs/dbraw/zinc/90/33/81/375903381.db2.gz ZZLOKQKMZLRPFT-TZMCWYRMSA-N 1 1 290.432 3.186 20 30 CGEDMO Cc1ccc([C@H]2CC[N@@H+](C[C@H](O)CC3(C#N)CC3)C2)c(C)c1 ZINC000528485117 375903911 /nfs/dbraw/zinc/90/39/11/375903911.db2.gz KBLCKUSTFNWSJX-DLBZAZTESA-N 1 1 298.430 3.148 20 30 CGEDMO CC(C)c1cccc2c1CC[N@@H+](C[C@H](O)CC1(C#N)CC1)C2 ZINC000528469970 375904015 /nfs/dbraw/zinc/90/40/15/375904015.db2.gz KIJPOVGAWCIVTG-MRXNPFEDSA-N 1 1 298.430 3.223 20 30 CGEDMO COc1cc(C[NH2+]CC2(C#N)CCC2)cc(C(F)(F)F)c1 ZINC000529612361 375930675 /nfs/dbraw/zinc/93/06/75/375930675.db2.gz VLSBNJRCSBKPMY-UHFFFAOYSA-N 1 1 298.308 3.497 20 30 CGEDMO C[C@H](C1CC1)[N@@H+](CCCC1(C#N)CCOCC1)C1CC1 ZINC000337135284 376092714 /nfs/dbraw/zinc/09/27/14/376092714.db2.gz MDXAALPHDGVADQ-CQSZACIVSA-N 1 1 276.424 3.350 20 30 CGEDMO C[C@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)C[C@@H](C)C1 ZINC000337196350 376129505 /nfs/dbraw/zinc/12/95/05/376129505.db2.gz XIPDOCDHSOCYAO-HOTGVXAUSA-N 1 1 278.440 3.455 20 30 CGEDMO C=CCN1CC[C@H]([N@H+]2CCCC(CC)(CC)CC2)C1=O ZINC000337208772 376136427 /nfs/dbraw/zinc/13/64/27/376136427.db2.gz REVVKXULTMONOY-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C[C@@H]1[C@@H](C)CCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000337188556 376125289 /nfs/dbraw/zinc/12/52/89/376125289.db2.gz QIFVOUACXNXSSZ-LSDHHAIUSA-N 1 1 264.413 3.207 20 30 CGEDMO C[C@]1(CCCO)CCC[N@H+]1CC#Cc1ccccc1Cl ZINC000539613881 376322508 /nfs/dbraw/zinc/32/25/08/376322508.db2.gz SSNWWOUPTJEULU-QGZVFWFLSA-N 1 1 291.822 3.319 20 30 CGEDMO C=CC[C@@H](CC)NC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000539703285 376327062 /nfs/dbraw/zinc/32/70/62/376327062.db2.gz MGASVJLEOGFURP-LSDHHAIUSA-N 1 1 295.471 3.151 20 30 CGEDMO C=CCN(C(=O)NC[C@H]1CCCC[N@@H+]1CCCC)C1CC1 ZINC000539009508 376284896 /nfs/dbraw/zinc/28/48/96/376284896.db2.gz IUICADGFOMIIAP-MRXNPFEDSA-N 1 1 293.455 3.001 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+](C)CCC(=O)OC(C)(C)C ZINC000539250270 376302299 /nfs/dbraw/zinc/30/22/99/376302299.db2.gz LGVDNZFYVJEHJH-ZDUSSCGKSA-N 1 1 255.402 3.395 20 30 CGEDMO C=CCC[N@@H+](CCc1ccccn1)Cc1cccnc1 ZINC000338543284 376417177 /nfs/dbraw/zinc/41/71/77/376417177.db2.gz LUMGYSLWZCRHAL-UHFFFAOYSA-N 1 1 267.376 3.097 20 30 CGEDMO N#Cc1ccc(NCC[N@@H+]2CC=CCC2)c(C(F)(F)F)c1 ZINC000338712906 376494164 /nfs/dbraw/zinc/49/41/64/376494164.db2.gz NZUSZCRKWHTNQK-UHFFFAOYSA-N 1 1 295.308 3.251 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000338922587 376577898 /nfs/dbraw/zinc/57/78/98/376577898.db2.gz ZVIHPRPUDTWQJQ-MRXNPFEDSA-N 1 1 263.356 3.035 20 30 CGEDMO COC1(CC[N@@H+](Cc2ccc(C#N)cc2)C2CC2)CCC1 ZINC000338932962 376580628 /nfs/dbraw/zinc/58/06/28/376580628.db2.gz FXZFMTRYBFQMGS-UHFFFAOYSA-N 1 1 284.403 3.482 20 30 CGEDMO C[C@H](C#N)C[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000543624151 376661176 /nfs/dbraw/zinc/66/11/76/376661176.db2.gz RQUWVWLCLCZEMG-SECBINFHSA-N 1 1 263.391 3.121 20 30 CGEDMO C=CC[N@@H+](Cc1cc2ccccc2nc1OC)C1CC1 ZINC000543619826 376661469 /nfs/dbraw/zinc/66/14/69/376661469.db2.gz JZWSIPZBQBLWBE-UHFFFAOYSA-N 1 1 268.360 3.394 20 30 CGEDMO C=CC[N@H+](Cc1cc2ccccc2nc1OC)C1CC1 ZINC000543619826 376661476 /nfs/dbraw/zinc/66/14/76/376661476.db2.gz JZWSIPZBQBLWBE-UHFFFAOYSA-N 1 1 268.360 3.394 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@](F)(c3ccccc3F)C2)C1 ZINC000339174267 376726178 /nfs/dbraw/zinc/72/61/78/376726178.db2.gz GJALVHOKAGKWBH-XJKCOSOUSA-N 1 1 276.330 3.388 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@](F)(c3ccccc3F)C2)C1 ZINC000339174267 376726183 /nfs/dbraw/zinc/72/61/83/376726183.db2.gz GJALVHOKAGKWBH-XJKCOSOUSA-N 1 1 276.330 3.388 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000339718303 376822890 /nfs/dbraw/zinc/82/28/90/376822890.db2.gz PMVUAXFMTWDDMW-UHFFFAOYSA-N 1 1 298.361 3.346 20 30 CGEDMO C=CCCC[N@H+](CC)C1CCC(C(=O)OCC)CC1 ZINC000554852560 376852699 /nfs/dbraw/zinc/85/26/99/376852699.db2.gz JFKGLRRWCJBSPG-UHFFFAOYSA-N 1 1 267.413 3.396 20 30 CGEDMO N#CCCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245768029 376905538 /nfs/dbraw/zinc/90/55/38/376905538.db2.gz WULGPUKEXMVQQY-REPLKXPHSA-N 1 1 297.446 3.465 20 30 CGEDMO N#CCCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245768029 376905539 /nfs/dbraw/zinc/90/55/39/376905539.db2.gz WULGPUKEXMVQQY-REPLKXPHSA-N 1 1 297.446 3.465 20 30 CGEDMO COc1ccc(C[N@H+]2C[C@@H](C)CC2(C)C)cc1C#N ZINC000340195956 376944908 /nfs/dbraw/zinc/94/49/08/376944908.db2.gz HPCUVWNJNAGAQR-LBPRGKRZSA-N 1 1 258.365 3.187 20 30 CGEDMO N#CCC[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000246581980 377055993 /nfs/dbraw/zinc/05/59/93/377055993.db2.gz YSKCGWHQUKCFGC-BZSNNMDCSA-N 1 1 283.419 3.248 20 30 CGEDMO N#CCC[C@H](C#N)C[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000247086471 377156795 /nfs/dbraw/zinc/15/67/95/377156795.db2.gz ZVDDTRIYDGYBIJ-HZPDHXFCSA-N 1 1 285.366 3.134 20 30 CGEDMO CCC[N@H+](CCN1CCCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000340684511 377215151 /nfs/dbraw/zinc/21/51/51/377215151.db2.gz LHROEIUFSGIDME-MRXNPFEDSA-N 1 1 285.435 3.427 20 30 CGEDMO CCC[N@@H+](CCN1CCCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000340684511 377215160 /nfs/dbraw/zinc/21/51/60/377215160.db2.gz LHROEIUFSGIDME-MRXNPFEDSA-N 1 1 285.435 3.427 20 30 CGEDMO C[N@@H+](CC1(C#N)CC1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000561798130 377245812 /nfs/dbraw/zinc/24/58/12/377245812.db2.gz YJAVKWGTACBLLB-PHIMTYICSA-N 1 1 260.303 3.343 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@H](CC)c1ccccc1OC ZINC000561955143 377254622 /nfs/dbraw/zinc/25/46/22/377254622.db2.gz JKPBDGZAPPNVEG-GOEBONIOSA-N 1 1 277.408 3.405 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2ncccc2O)CCCC1(C)C ZINC000561959689 377256966 /nfs/dbraw/zinc/25/69/66/377256966.db2.gz GHQKBZIZXCSEFA-OAHLLOKOSA-N 1 1 260.381 3.354 20 30 CGEDMO C=CC[C@H]1[N@H+](Cc2ncccc2O)CCCC1(C)C ZINC000561959689 377256974 /nfs/dbraw/zinc/25/69/74/377256974.db2.gz GHQKBZIZXCSEFA-OAHLLOKOSA-N 1 1 260.381 3.354 20 30 CGEDMO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)[C@@H]2CCCC[C@@H]21 ZINC000248450530 377321836 /nfs/dbraw/zinc/32/18/36/377321836.db2.gz YBIFWPZEGCXGKC-KBRIMQKVSA-N 1 1 297.402 3.007 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000340884315 377303885 /nfs/dbraw/zinc/30/38/85/377303885.db2.gz FAMVLCQGLNKYQI-LSDHHAIUSA-N 1 1 288.439 3.149 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H]1CN1C[C@H](C)O[C@@H](C)C1 ZINC000248731077 377388747 /nfs/dbraw/zinc/38/87/47/377388747.db2.gz LFVGUUINPXESIT-OKZBNKHCSA-N 1 1 294.483 3.306 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C)O[C@H](C)C1 ZINC000248731076 377389597 /nfs/dbraw/zinc/38/95/97/377389597.db2.gz LFVGUUINPXESIT-KZNAEPCWSA-N 1 1 294.483 3.306 20 30 CGEDMO N#CC1(CC[N@@H+]2CCCC[C@H]2C2(O)CC2)CCCCC1 ZINC000563247893 377426776 /nfs/dbraw/zinc/42/67/76/377426776.db2.gz XAXPQJFUYUSZSE-HNNXBMFYSA-N 1 1 276.424 3.230 20 30 CGEDMO C=CCCCC[N@H+](CC)CC(=O)Nc1cccc(OC)c1 ZINC000566896125 377502200 /nfs/dbraw/zinc/50/22/00/377502200.db2.gz VPNKVNWMVDHYFL-UHFFFAOYSA-N 1 1 290.407 3.312 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ncccc1O ZINC000566882425 377502513 /nfs/dbraw/zinc/50/25/13/377502513.db2.gz QKWDTBPAIGHVRC-NVXWUHKLSA-N 1 1 293.370 3.059 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCc2sc(Cl)cc21 ZINC000567290793 377505722 /nfs/dbraw/zinc/50/57/22/377505722.db2.gz PEKOLJPFUVDBAP-GXSJLCMTSA-N 1 1 279.796 3.422 20 30 CGEDMO CO[C@@H](C[NH2+]C[C@H](C#N)CCC#N)c1cccc(Cl)c1 ZINC000565593449 377489430 /nfs/dbraw/zinc/48/94/30/377489430.db2.gz GQYRSOUTRPIIAA-WFASDCNBSA-N 1 1 291.782 3.061 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCc1nc2ccccc2n1C ZINC000265546935 190189570 /nfs/dbraw/zinc/18/95/70/190189570.db2.gz XSGXGEYBODHKEZ-UHFFFAOYSA-N 1 1 257.381 3.014 20 30 CGEDMO CC[C@@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000252442707 377621860 /nfs/dbraw/zinc/62/18/60/377621860.db2.gz BAORNBQOBFONAW-ZYHUDNBSSA-N 1 1 291.395 3.073 20 30 CGEDMO N#Cc1ccc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1Cl ZINC000252666911 377647359 /nfs/dbraw/zinc/64/73/59/377647359.db2.gz CQWNTUGDXAUFJS-KBPBESRZSA-N 1 1 275.783 3.250 20 30 CGEDMO C=CC[C@@H](C)NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000342522307 377655829 /nfs/dbraw/zinc/65/58/29/377655829.db2.gz ITKYLOWYXSDAHP-BXUZGUMPSA-N 1 1 280.799 3.024 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000253096366 377676396 /nfs/dbraw/zinc/67/63/96/377676396.db2.gz QGBHKVYHCFIALK-KZNAEPCWSA-N 1 1 284.403 3.074 20 30 CGEDMO C=CCC[N@H+](C)CCC(=O)Nc1cccc(Cl)c1 ZINC000342731705 377762493 /nfs/dbraw/zinc/76/24/93/377762493.db2.gz MFSUSNHAJAUKES-UHFFFAOYSA-N 1 1 266.772 3.177 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(CC)cc1 ZINC000342738118 377766335 /nfs/dbraw/zinc/76/63/35/377766335.db2.gz SBHHVGNRDIDQOZ-CYBMUJFWSA-N 1 1 260.381 3.084 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccc(CC#N)cc2)C[C@H]1n1ccnc1 ZINC000342756726 377774534 /nfs/dbraw/zinc/77/45/34/377774534.db2.gz VHQOTHIHPGTEQO-MAUKXSAKSA-N 1 1 294.402 3.032 20 30 CGEDMO COc1ccccc1[C@@H]1CCC[N@@H+]1CC1(C#N)CC1 ZINC000343312705 377950684 /nfs/dbraw/zinc/95/06/84/377950684.db2.gz CFURUQYGODPTLV-AWEZNQCLSA-N 1 1 256.349 3.136 20 30 CGEDMO COc1ccccc1[C@@H]1CCC[N@H+]1CC1(C#N)CC1 ZINC000343312705 377950687 /nfs/dbraw/zinc/95/06/87/377950687.db2.gz CFURUQYGODPTLV-AWEZNQCLSA-N 1 1 256.349 3.136 20 30 CGEDMO Cc1ccnc(NC[C@@H]2CCC[N@H+](CC(C)C)C2)c1C#N ZINC000343435862 377978567 /nfs/dbraw/zinc/97/85/67/377978567.db2.gz KYZRJKAFHWGXDU-HNNXBMFYSA-N 1 1 286.423 3.042 20 30 CGEDMO C=CCC[N@H+](C)Cc1cnc(-c2ccncc2)s1 ZINC000343471933 377990655 /nfs/dbraw/zinc/99/06/55/377990655.db2.gz PRTMJTFDKOQPGZ-UHFFFAOYSA-N 1 1 259.378 3.213 20 30 CGEDMO C#CC[N@@H+](CC)[C@@H](C)C(=O)Nc1ccccc1C(C)C ZINC000266904267 378028115 /nfs/dbraw/zinc/02/81/15/378028115.db2.gz HGJBUEZZBOVHOH-AWEZNQCLSA-N 1 1 272.392 3.092 20 30 CGEDMO C#CC[N@H+](CC)[C@@H](C)C(=O)Nc1ccccc1C(C)C ZINC000266904267 378028124 /nfs/dbraw/zinc/02/81/24/378028124.db2.gz HGJBUEZZBOVHOH-AWEZNQCLSA-N 1 1 272.392 3.092 20 30 CGEDMO CC[N@H+]1CCCN(c2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000267192156 378031613 /nfs/dbraw/zinc/03/16/13/378031613.db2.gz HLNLWUKMVVMKGX-UHFFFAOYSA-N 1 1 297.324 3.109 20 30 CGEDMO C[C@@H]([N@@H+](C)Cc1ccc(OCC#N)cc1)C1(C)CC1 ZINC000267762439 378043831 /nfs/dbraw/zinc/04/38/31/378043831.db2.gz RDPYMZGJMMJMTC-CYBMUJFWSA-N 1 1 258.365 3.209 20 30 CGEDMO C[C@H](CC#N)[N@H+](C)CCC(=O)Nc1ccc(Cl)cc1F ZINC000268317849 378053249 /nfs/dbraw/zinc/05/32/49/378053249.db2.gz SCRLPAWLNAPMMO-SNVBAGLBSA-N 1 1 297.761 3.042 20 30 CGEDMO C[C@H](CC#N)[N@@H+](C)CCC(=O)Nc1ccc(Cl)cc1F ZINC000268317849 378053257 /nfs/dbraw/zinc/05/32/57/378053257.db2.gz SCRLPAWLNAPMMO-SNVBAGLBSA-N 1 1 297.761 3.042 20 30 CGEDMO CSCC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000578327076 378058495 /nfs/dbraw/zinc/05/84/95/378058495.db2.gz PYHKXDUEAYOHMO-LLVKDONJSA-N 1 1 293.392 3.040 20 30 CGEDMO C#CCOc1ccccc1C[NH2+]Cc1ccc(CC)o1 ZINC000268445492 378059673 /nfs/dbraw/zinc/05/96/73/378059673.db2.gz TVZNKRARZMTLEZ-UHFFFAOYSA-N 1 1 269.344 3.144 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)[C@@H]1CCCc2nc(C)sc21 ZINC000268564478 378075005 /nfs/dbraw/zinc/07/50/05/378075005.db2.gz PUUAXFFPHWKLPV-TZMCWYRMSA-N 1 1 280.437 3.088 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)Cc1nc2ccccc2s1 ZINC000268627322 378082345 /nfs/dbraw/zinc/08/23/45/378082345.db2.gz JRFULQNZSMPDFI-LBPRGKRZSA-N 1 1 276.405 3.055 20 30 CGEDMO Cc1cc(CN[C@H](C)C[NH+]2CCC(C)CC2)ccc1C#N ZINC000579130008 378132802 /nfs/dbraw/zinc/13/28/02/378132802.db2.gz KGWCTCQWHIYJGQ-MRXNPFEDSA-N 1 1 285.435 3.077 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCC[C@@H]2C2CCOCC2)cc1 ZINC000343808211 378099807 /nfs/dbraw/zinc/09/98/07/378099807.db2.gz JNGBSAHQIFEXAC-GOSISDBHSA-N 1 1 284.403 3.144 20 30 CGEDMO CCCOc1ccc(C[NH2+]Cc2ccc(C#N)cc2F)cn1 ZINC000269388354 378215177 /nfs/dbraw/zinc/21/51/77/378215177.db2.gz BSAYRYKWCHBNRD-UHFFFAOYSA-N 1 1 299.349 3.171 20 30 CGEDMO CCC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)CC(C)C ZINC000269472908 378226287 /nfs/dbraw/zinc/22/62/87/378226287.db2.gz JGXTVFJIHGEDDF-UHFFFAOYSA-N 1 1 291.395 3.075 20 30 CGEDMO CCC[C@@H](C)[N@@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000582340769 378305061 /nfs/dbraw/zinc/30/50/61/378305061.db2.gz WTKBESJZNUAIKE-PBHICJAKSA-N 1 1 299.418 3.174 20 30 CGEDMO CC[C@H]([NH2+][C@H](C)c1ccon1)c1ccc(C#N)cc1 ZINC000583480020 378326318 /nfs/dbraw/zinc/32/63/18/378326318.db2.gz XWFHYJPQNDBOSL-RISCZKNCSA-N 1 1 255.321 3.348 20 30 CGEDMO CN(CC[N@H+](C)Cc1cc(F)ccc1C#N)c1ccccc1 ZINC000345761949 378363584 /nfs/dbraw/zinc/36/35/84/378363584.db2.gz UKZCTXSHMBAJGD-UHFFFAOYSA-N 1 1 297.377 3.266 20 30 CGEDMO CN(CC[N@@H+](C)Cc1cc(F)ccc1C#N)c1ccccc1 ZINC000345761949 378363587 /nfs/dbraw/zinc/36/35/87/378363587.db2.gz UKZCTXSHMBAJGD-UHFFFAOYSA-N 1 1 297.377 3.266 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000583912957 378358440 /nfs/dbraw/zinc/35/84/40/378358440.db2.gz QFMXUXSHQFRLKM-SFHVURJKSA-N 1 1 291.410 3.409 20 30 CGEDMO CC[C@H](CC#N)N[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000583935149 378359773 /nfs/dbraw/zinc/35/97/73/378359773.db2.gz RWJQEISCQWNIAG-QZTJIDSGSA-N 1 1 297.446 3.465 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CCC[C@H]2c2ccncc2)cc1 ZINC000270988171 378423769 /nfs/dbraw/zinc/42/37/69/378423769.db2.gz HMNJHVBAPKSLDO-SFHVURJKSA-N 1 1 293.370 3.321 20 30 CGEDMO COc1ccsc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000271046072 378436887 /nfs/dbraw/zinc/43/68/87/378436887.db2.gz LQOUUHUFYWTMGU-UHFFFAOYSA-N 1 1 272.373 3.260 20 30 CGEDMO COc1ccsc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000271046072 378436892 /nfs/dbraw/zinc/43/68/92/378436892.db2.gz LQOUUHUFYWTMGU-UHFFFAOYSA-N 1 1 272.373 3.260 20 30 CGEDMO CC[C@H](C)[N@@H+](C)CCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271937866 378524214 /nfs/dbraw/zinc/52/42/14/378524214.db2.gz KUHHWUGPONOMIP-STQMWFEESA-N 1 1 277.387 3.078 20 30 CGEDMO CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271937866 378524220 /nfs/dbraw/zinc/52/42/20/378524220.db2.gz KUHHWUGPONOMIP-STQMWFEESA-N 1 1 277.387 3.078 20 30 CGEDMO CC(C)c1nnc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)[nH]1 ZINC000271908162 378513246 /nfs/dbraw/zinc/51/32/46/378513246.db2.gz XFICFAQBWJYVAY-NEPJUHHUSA-N 1 1 283.379 3.212 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000637623840 378542718 /nfs/dbraw/zinc/54/27/18/378542718.db2.gz OWTPHUZKPYGUNU-CABCVRRESA-N 1 1 295.471 3.103 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@H](OC)C1CCOCC1 ZINC000638093919 378697104 /nfs/dbraw/zinc/69/71/04/378697104.db2.gz GMPUHYOCPDSRSC-INIZCTEOSA-N 1 1 269.429 3.106 20 30 CGEDMO C=CCOCCC[N@@H+]1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000348049690 378766946 /nfs/dbraw/zinc/76/69/46/378766946.db2.gz JBXBJMPSPVPZEZ-RDJZCZTQSA-N 1 1 275.392 3.041 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000348050243 378768250 /nfs/dbraw/zinc/76/82/50/378768250.db2.gz LVICQIPADFGYPL-ZDUSSCGKSA-N 1 1 281.346 3.347 20 30 CGEDMO C=CCOCCC[N@@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000348035409 378759848 /nfs/dbraw/zinc/75/98/48/378759848.db2.gz OGSZCHZQKDCNHN-WBVHZDCISA-N 1 1 275.392 3.041 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000348241138 378859602 /nfs/dbraw/zinc/85/96/02/378859602.db2.gz IJFRVOYLXVRHQK-MFKMUULPSA-N 1 1 298.308 3.340 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000346972384 218074629 /nfs/dbraw/zinc/07/46/29/218074629.db2.gz HRQAKRVJOVNKGE-QGZVFWFLSA-N 1 1 293.370 3.299 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000346972384 218074631 /nfs/dbraw/zinc/07/46/31/218074631.db2.gz HRQAKRVJOVNKGE-QGZVFWFLSA-N 1 1 293.370 3.299 20 30 CGEDMO N#Cc1ccccc1OCC[N@H+]1CC[C@H]1c1ccccc1 ZINC000348538363 378982179 /nfs/dbraw/zinc/98/21/79/378982179.db2.gz BSLPBLATZJUSMN-KRWDZBQOSA-N 1 1 278.355 3.384 20 30 CGEDMO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](CCCSCC#N)C1 ZINC000372022320 379186926 /nfs/dbraw/zinc/18/69/26/379186926.db2.gz WWZSWUPTKYRHJT-HIFRSBDPSA-N 1 1 275.421 3.111 20 30 CGEDMO CCc1nnc([C@@H](C)[NH2+][C@@H](CC)c2ccc(C#N)cc2)[nH]1 ZINC000278818953 194168548 /nfs/dbraw/zinc/16/85/48/194168548.db2.gz SJOQHJHZKPZXIR-RISCZKNCSA-N 1 1 283.379 3.041 20 30 CGEDMO CC[C@H](NCC(C)(C)C[NH+](C)C)c1ccc(C#N)cc1 ZINC000278235734 379323333 /nfs/dbraw/zinc/32/33/33/379323333.db2.gz KPJQHVMVBYYNMT-INIZCTEOSA-N 1 1 273.424 3.187 20 30 CGEDMO CC[C@H]([NH2+]CC(C)(C)CN(C)C)c1ccc(C#N)cc1 ZINC000278235734 379323344 /nfs/dbraw/zinc/32/33/44/379323344.db2.gz KPJQHVMVBYYNMT-INIZCTEOSA-N 1 1 273.424 3.187 20 30 CGEDMO CC#CC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000278896042 379409594 /nfs/dbraw/zinc/40/95/94/379409594.db2.gz PGMRZAUMJCAIFB-UHFFFAOYSA-N 1 1 298.430 3.091 20 30 CGEDMO C[C@@H](CC1CCOCC1)C[N@H+](CC#N)C1CCCC1 ZINC000349973091 379466817 /nfs/dbraw/zinc/46/68/17/379466817.db2.gz KPHGLADUVAEISN-AWEZNQCLSA-N 1 1 264.413 3.207 20 30 CGEDMO C[C@@H](CC1CCOCC1)C[N@@H+](CC#N)C1CCCC1 ZINC000349973091 379466829 /nfs/dbraw/zinc/46/68/29/379466829.db2.gz KPHGLADUVAEISN-AWEZNQCLSA-N 1 1 264.413 3.207 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000279660745 379484367 /nfs/dbraw/zinc/48/43/67/379484367.db2.gz COILIDJBNCXJBU-XJKSGUPXSA-N 1 1 272.392 3.366 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000375960149 379516487 /nfs/dbraw/zinc/51/64/87/379516487.db2.gz IQQLDUVGENPOED-HNNXBMFYSA-N 1 1 292.810 3.151 20 30 CGEDMO C[C@H](c1ccccn1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000267056495 190300037 /nfs/dbraw/zinc/30/00/37/190300037.db2.gz KYOUBSZJBOSQFD-CYBMUJFWSA-N 1 1 251.333 3.146 20 30 CGEDMO C=CCCCC(=O)N1c2ccc(C)cc2[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000267188226 190309733 /nfs/dbraw/zinc/30/97/33/190309733.db2.gz ZHXIMXLFDOZYBY-FUHWJXTLSA-N 1 1 298.430 3.486 20 30 CGEDMO Cc1cc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)ccc1C#N ZINC000352441560 379816705 /nfs/dbraw/zinc/81/67/05/379816705.db2.gz ZAVZWOAFSOUOSE-QZTJIDSGSA-N 1 1 296.414 3.400 20 30 CGEDMO C[N@@H+](CCCOCc1ccccc1)[C@@H]1CCC[C@@H]1C#N ZINC000384287729 379874903 /nfs/dbraw/zinc/87/49/03/379874903.db2.gz UBYPIUUNCGOZGZ-IAGOWNOFSA-N 1 1 272.392 3.217 20 30 CGEDMO Cc1cc([C@H](C)[NH2+]Cc2nc(C#N)cs2)ccc1F ZINC000352809021 379973755 /nfs/dbraw/zinc/97/37/55/379973755.db2.gz FHTCPICEPHMYLP-JTQLQIEISA-N 1 1 275.352 3.313 20 30 CGEDMO C=C(C)CN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352816538 379979769 /nfs/dbraw/zinc/97/97/69/379979769.db2.gz ORTPLEMCOGTLMF-SFHVURJKSA-N 1 1 270.420 3.161 20 30 CGEDMO C=C(C)CN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352816538 379979779 /nfs/dbraw/zinc/97/97/79/379979779.db2.gz ORTPLEMCOGTLMF-SFHVURJKSA-N 1 1 270.420 3.161 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000352816538 379979782 /nfs/dbraw/zinc/97/97/82/379979782.db2.gz ORTPLEMCOGTLMF-SFHVURJKSA-N 1 1 270.420 3.161 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000352816538 379979789 /nfs/dbraw/zinc/97/97/89/379979789.db2.gz ORTPLEMCOGTLMF-SFHVURJKSA-N 1 1 270.420 3.161 20 30 CGEDMO N#CCc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 ZINC000399050257 379934781 /nfs/dbraw/zinc/93/47/81/379934781.db2.gz UYGTZZSESVPCLB-OTWHNJEPSA-N 1 1 298.430 3.268 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)C[C@@H]1CCO[C@H](C)C1 ZINC000352928036 380043237 /nfs/dbraw/zinc/04/32/37/380043237.db2.gz BNYYQRMUOYJMMA-HUUCEWRRSA-N 1 1 263.381 3.125 20 30 CGEDMO N#CC1(CC[N@@H+]2CC[C@@H](N3CCCCC3)C2)CCCCC1 ZINC000411281979 380137930 /nfs/dbraw/zinc/13/79/30/380137930.db2.gz UIZUNNZOKUODPP-QGZVFWFLSA-N 1 1 289.467 3.411 20 30 CGEDMO N#CC1(CC[N@H+]2CC[C@@H](N3CCCCC3)C2)CCCCC1 ZINC000411281979 380137933 /nfs/dbraw/zinc/13/79/33/380137933.db2.gz UIZUNNZOKUODPP-QGZVFWFLSA-N 1 1 289.467 3.411 20 30 CGEDMO CCC[N@H+](CCN1CCCCC1)Cc1cccc(C#N)c1 ZINC000353144744 380139762 /nfs/dbraw/zinc/13/97/62/380139762.db2.gz VEQKMHXGVDXLRF-UHFFFAOYSA-N 1 1 285.435 3.256 20 30 CGEDMO CCC[N@@H+](CCN1CCCCC1)Cc1cccc(C#N)c1 ZINC000353144744 380139765 /nfs/dbraw/zinc/13/97/65/380139765.db2.gz VEQKMHXGVDXLRF-UHFFFAOYSA-N 1 1 285.435 3.256 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000411406115 380145435 /nfs/dbraw/zinc/14/54/35/380145435.db2.gz BKTHPXIERGBAJS-DOMZBBRYSA-N 1 1 278.783 3.485 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)[C@H](C)C(=O)N[C@H](C)CC ZINC000411196121 380134645 /nfs/dbraw/zinc/13/46/45/380134645.db2.gz JDVDQSSQTRWJRU-HZPDHXFCSA-N 1 1 288.435 3.020 20 30 CGEDMO CC(C)C[C@H](CN[C@H]1CCc2ccc(C#N)cc21)[NH+](C)C ZINC000353387929 380204699 /nfs/dbraw/zinc/20/46/99/380204699.db2.gz OSPQHOIOGBZFSH-AEFFLSMTSA-N 1 1 285.435 3.111 20 30 CGEDMO CC[C@@H](CN[C@H]1CCc2ccc(C#N)cc21)[NH+]1CCCC1 ZINC000353412209 380206199 /nfs/dbraw/zinc/20/61/99/380206199.db2.gz LDWFUKQBIXYMJC-WMZOPIPTSA-N 1 1 283.419 3.010 20 30 CGEDMO CC(C)C[C@@H](CO)[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000411551886 380150792 /nfs/dbraw/zinc/15/07/92/380150792.db2.gz FRHVAFCAGWUCPI-HNNXBMFYSA-N 1 1 266.429 3.189 20 30 CGEDMO CC(C)C[C@H](CO)[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000411551888 380151606 /nfs/dbraw/zinc/15/16/06/380151606.db2.gz FRHVAFCAGWUCPI-OAHLLOKOSA-N 1 1 266.429 3.189 20 30 CGEDMO C[C@H]([NH2+][C@@H](c1nccn1C)C1CC1)c1ccc(C#N)c(F)c1 ZINC000353936445 380244161 /nfs/dbraw/zinc/24/41/61/380244161.db2.gz YTNKMNHFQLCPKI-MEDUHNTESA-N 1 1 298.365 3.233 20 30 CGEDMO CCC[N@@H+]1CCC[C@H]1CN[C@H](C)c1ccc(C#N)cc1 ZINC000353974100 380259414 /nfs/dbraw/zinc/25/94/14/380259414.db2.gz RAJXWNMEIWOMAK-PBHICJAKSA-N 1 1 271.408 3.083 20 30 CGEDMO CCC[N@H+]1CCC[C@H]1CN[C@H](C)c1ccc(C#N)cc1 ZINC000353974100 380259418 /nfs/dbraw/zinc/25/94/18/380259418.db2.gz RAJXWNMEIWOMAK-PBHICJAKSA-N 1 1 271.408 3.083 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccoc1C ZINC000414439545 380237551 /nfs/dbraw/zinc/23/75/51/380237551.db2.gz LFGXNEWDNZGOFS-UHFFFAOYSA-N 1 1 275.348 3.252 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccoc1C ZINC000414439545 380237555 /nfs/dbraw/zinc/23/75/55/380237555.db2.gz LFGXNEWDNZGOFS-UHFFFAOYSA-N 1 1 275.348 3.252 20 30 CGEDMO CCOC(=O)c1coc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)c1 ZINC000353926466 380239460 /nfs/dbraw/zinc/23/94/60/380239460.db2.gz GIPWPHOWVNCMAO-LBPRGKRZSA-N 1 1 298.342 3.179 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000643391195 380304182 /nfs/dbraw/zinc/30/41/82/380304182.db2.gz WWWIFSLLLOSOHG-MJGOQNOKSA-N 1 1 285.431 3.106 20 30 CGEDMO C=C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000354193567 380360286 /nfs/dbraw/zinc/36/02/86/380360286.db2.gz ZWWOMEZGABWLAD-CCNLRDMRSA-N 1 1 270.420 3.346 20 30 CGEDMO CC[N@@H+](CCC1CC1)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000355062008 380571685 /nfs/dbraw/zinc/57/16/85/380571685.db2.gz PIWSOBYRISWHIO-ZDUSSCGKSA-N 1 1 285.391 3.007 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCOCC2(CCC2)C1 ZINC000355518318 380697734 /nfs/dbraw/zinc/69/77/34/380697734.db2.gz VOCMAUMCKGOOQP-UHFFFAOYSA-N 1 1 287.403 3.254 20 30 CGEDMO CC#CC[NH2+]C1(c2cc(Br)ccc2OC)CC1 ZINC000645973816 380787662 /nfs/dbraw/zinc/78/76/62/380787662.db2.gz QDNHVJCBXPSZOH-UHFFFAOYSA-N 1 1 294.192 3.060 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC000645985805 380793609 /nfs/dbraw/zinc/79/36/09/380793609.db2.gz PWTJPIAAZWZDGK-KRWDZBQOSA-N 1 1 259.393 3.226 20 30 CGEDMO C[C@H]1[C@@H](C)[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@H]1C ZINC000419371945 380817804 /nfs/dbraw/zinc/81/78/04/380817804.db2.gz LSROQVLTGXQFNC-JHJVBQTASA-N 1 1 296.374 3.085 20 30 CGEDMO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1CCC(C)(C)C#N ZINC000420929275 380862415 /nfs/dbraw/zinc/86/24/15/380862415.db2.gz QHDSCGOONLYXMX-ZIAGYGMSSA-N 1 1 294.439 3.368 20 30 CGEDMO C[C@@H]1CC[N@@H+](CCOc2ccccc2C#N)CC12CCC2 ZINC000357022481 380995242 /nfs/dbraw/zinc/99/52/42/380995242.db2.gz JXDMKVZXADOVRH-OAHLLOKOSA-N 1 1 284.403 3.449 20 30 CGEDMO N#Cc1ncccc1NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000357519423 381191117 /nfs/dbraw/zinc/19/11/17/381191117.db2.gz XOYLLSNIYOBHDB-INIZCTEOSA-N 1 1 292.386 3.030 20 30 CGEDMO CC[C@H](C)[N@@H+](C)CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000358571193 381315992 /nfs/dbraw/zinc/31/59/92/381315992.db2.gz OONBTRAXVVLBJO-STQMWFEESA-N 1 1 277.387 3.078 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](C)[C@H]2C)c1C ZINC000361338995 381704671 /nfs/dbraw/zinc/70/46/71/381704671.db2.gz ZBUFTLKTORRTGX-GXTWGEPZSA-N 1 1 274.408 3.204 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1C[C@@H](SC)[C@@H](N2CCCC2)C1 ZINC000362015916 381880564 /nfs/dbraw/zinc/88/05/64/381880564.db2.gz OZUJPKWKOUTDDN-HRCADAONSA-N 1 1 282.497 3.243 20 30 CGEDMO C=CCCC[C@H](C)N1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000362015916 381880568 /nfs/dbraw/zinc/88/05/68/381880568.db2.gz OZUJPKWKOUTDDN-HRCADAONSA-N 1 1 282.497 3.243 20 30 CGEDMO COCC[N@@H+](CC(C)(C)CCC#N)[C@H]1CC[C@H](C)C1 ZINC000361640148 381851031 /nfs/dbraw/zinc/85/10/31/381851031.db2.gz SCAINSRUULSLAZ-GJZGRUSLSA-N 1 1 266.429 3.453 20 30 CGEDMO COCC[N@@H+](Cc1ccc(CC#N)cc1)[C@@H]1CC[C@H](C)C1 ZINC000362157825 381891824 /nfs/dbraw/zinc/89/18/24/381891824.db2.gz QPXPURZSWGMIED-MAUKXSAKSA-N 1 1 286.419 3.390 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](CCOc2ccc(C#N)cc2)CCS1 ZINC000362385198 381968431 /nfs/dbraw/zinc/96/84/31/381968431.db2.gz UKBSECBYPQDZSE-INIZCTEOSA-N 1 1 290.432 3.010 20 30 CGEDMO C[N@H+](CCOCc1ccccc1)Cc1cc(C#N)ccc1F ZINC000362447305 381995494 /nfs/dbraw/zinc/99/54/94/381995494.db2.gz BWKHALGTYXPPGL-UHFFFAOYSA-N 1 1 298.361 3.346 20 30 CGEDMO C[N@@H+](CCOCc1ccccc1)Cc1cc(C#N)ccc1F ZINC000362447305 381995506 /nfs/dbraw/zinc/99/55/06/381995506.db2.gz BWKHALGTYXPPGL-UHFFFAOYSA-N 1 1 298.361 3.346 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)cc1 ZINC000280911248 195024836 /nfs/dbraw/zinc/02/48/36/195024836.db2.gz FSJJSPVTABRNIX-OTWHNJEPSA-N 1 1 298.430 3.464 20 30 CGEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@H+]2Cc2cccc(C#N)c2)C1 ZINC000281104229 195105316 /nfs/dbraw/zinc/10/53/16/195105316.db2.gz AQCFTEVYEXILAY-OAOYMFHYSA-N 1 1 298.430 3.320 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)ccc1F ZINC000335379124 208319876 /nfs/dbraw/zinc/31/98/76/208319876.db2.gz JNLKLNGNNGDTEN-YOEHRIQHSA-N 1 1 288.366 3.088 20 30 CGEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)cc2F)C1(C)C ZINC000353773390 220320962 /nfs/dbraw/zinc/32/09/62/220320962.db2.gz BRTLMLWYBHOMDB-JKSUJKDBSA-N 1 1 290.382 3.333 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](c3ccncc3)C2)c1 ZINC000289311727 197292658 /nfs/dbraw/zinc/29/26/58/197292658.db2.gz JGATVBVEWNALFQ-SFHVURJKSA-N 1 1 277.371 3.333 20 30 CGEDMO COc1cc(C[N@H+]2CC[C@@H](CC(C)C)C2)ccc1C#N ZINC000307772469 542422212 /nfs/dbraw/zinc/42/22/12/542422212.db2.gz IHQURJHTNXDSGI-HNNXBMFYSA-N 1 1 272.392 3.435 20 30 CGEDMO CO[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000364338565 533232153 /nfs/dbraw/zinc/23/21/53/533232153.db2.gz BASFFYSVWBTTIG-HNNXBMFYSA-N 1 1 278.783 3.213 20 30 CGEDMO CO[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000364338565 533232160 /nfs/dbraw/zinc/23/21/60/533232160.db2.gz BASFFYSVWBTTIG-HNNXBMFYSA-N 1 1 278.783 3.213 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000336806190 262395746 /nfs/dbraw/zinc/39/57/46/262395746.db2.gz KOEQRUSGUWZZAP-CABCVRRESA-N 1 1 264.413 3.207 20 30 CGEDMO COc1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1C#N ZINC000135131169 533571657 /nfs/dbraw/zinc/57/16/57/533571657.db2.gz NMVRFOCLEZNMLN-GASCZTMLSA-N 1 1 270.376 3.189 20 30 CGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](C)CC1 ZINC000068838074 392168059 /nfs/dbraw/zinc/16/80/59/392168059.db2.gz ABLJHPBSGJJVHH-KGLIPLIRSA-N 1 1 285.391 3.007 20 30 CGEDMO CO[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000282225927 392286000 /nfs/dbraw/zinc/28/60/00/392286000.db2.gz FGPJDRVAWXCLHE-BBRMVZONSA-N 1 1 277.795 3.191 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000121776853 392416336 /nfs/dbraw/zinc/41/63/36/392416336.db2.gz ZOYZCCHBGBKXGI-SJORKVTESA-N 1 1 259.393 3.021 20 30 CGEDMO Cc1cccnc1[C@H]([NH2+]C[C@@H](C#N)CCC#N)C(C)C ZINC000121938291 392417673 /nfs/dbraw/zinc/41/76/73/392417673.db2.gz CUSQOJZRIQEECN-HUUCEWRRSA-N 1 1 270.380 3.120 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccncc2)cc1 ZINC000289657247 392427825 /nfs/dbraw/zinc/42/78/25/392427825.db2.gz CNMVVZBCXPJEQM-SFHVURJKSA-N 1 1 262.356 3.400 20 30 CGEDMO Cc1cc(Br)ccc1C[NH+]1CCC(C#N)CC1 ZINC000123768592 392431123 /nfs/dbraw/zinc/43/11/23/392431123.db2.gz MEORRRRDYXCAQU-UHFFFAOYSA-N 1 1 293.208 3.493 20 30 CGEDMO CC1(C)C[N@H+](CC#Cc2ccc(F)cc2)[C@@H]1[C@H]1CCCO1 ZINC000289941227 392438200 /nfs/dbraw/zinc/43/82/00/392438200.db2.gz VRBSAEULUZLNDN-IAGOWNOFSA-N 1 1 287.378 3.067 20 30 CGEDMO CC1(C)C[N@@H+](CC#Cc2ccc(F)cc2)[C@@H]1[C@H]1CCCO1 ZINC000289941227 392438210 /nfs/dbraw/zinc/43/82/10/392438210.db2.gz VRBSAEULUZLNDN-IAGOWNOFSA-N 1 1 287.378 3.067 20 30 CGEDMO CCc1nc(C)c(C[NH2+][C@@H](C)c2cccc(C#N)c2)o1 ZINC000292019281 392497511 /nfs/dbraw/zinc/49/75/11/392497511.db2.gz ZOLPXAUWFBKAPB-NSHDSACASA-N 1 1 269.348 3.268 20 30 CGEDMO O[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C12CCCC2 ZINC000292710177 392510118 /nfs/dbraw/zinc/51/01/18/392510118.db2.gz LKNAYZWHPXNCNG-MRXNPFEDSA-N 1 1 289.806 3.071 20 30 CGEDMO COC[C@@]1(C)CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000296970105 392565356 /nfs/dbraw/zinc/56/53/56/392565356.db2.gz YQRDCTVXITYAKI-INIZCTEOSA-N 1 1 277.795 3.050 20 30 CGEDMO COC[C@H]1CCCC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000372095092 392583443 /nfs/dbraw/zinc/58/34/43/392583443.db2.gz MVTJKUFZWNVHRQ-HNNXBMFYSA-N 1 1 297.402 3.059 20 30 CGEDMO N#Cc1ccc(OCCNc2cc[nH+]cc2Cl)cc1 ZINC000301510093 392593786 /nfs/dbraw/zinc/59/37/86/392593786.db2.gz AJZODGGLAVCCFK-UHFFFAOYSA-N 1 1 273.723 3.098 20 30 CGEDMO CC[C@H]1CCCC[N@H+]1CCNc1cc(C(C)=O)ccc1C#N ZINC000302122227 392610495 /nfs/dbraw/zinc/61/04/95/392610495.db2.gz UVALUYZTARNOJN-KRWDZBQOSA-N 1 1 299.418 3.437 20 30 CGEDMO C=CCC[C@@H](C)[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000647344114 392693339 /nfs/dbraw/zinc/69/33/39/392693339.db2.gz JHXUEMYFAHPRSN-NXHRZFHOSA-N 1 1 272.436 3.276 20 30 CGEDMO Cc1cc[nH+]c(N[C@H](C)c2ccc(OCC#N)cc2)c1 ZINC000178050608 392670096 /nfs/dbraw/zinc/67/00/96/392670096.db2.gz HLTHUYBSKNNKBF-CYBMUJFWSA-N 1 1 267.332 3.466 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000302846602 392621164 /nfs/dbraw/zinc/62/11/64/392621164.db2.gz JLNSDDONKFJPHV-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO N#CCSCCC[N@H+]1CCCc2ccccc2C1 ZINC000173890269 392630603 /nfs/dbraw/zinc/63/06/03/392630603.db2.gz QBFXKGUMIYQAKF-UHFFFAOYSA-N 1 1 260.406 3.082 20 30 CGEDMO C=C[C@@H](C)[NH2+][C@@H](C)c1ncc(Br)cc1F ZINC000308982618 392656340 /nfs/dbraw/zinc/65/63/40/392656340.db2.gz ISFCARIBYLRCGN-SFYZADRCSA-N 1 1 273.149 3.208 20 30 CGEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000181301524 392725808 /nfs/dbraw/zinc/72/58/08/392725808.db2.gz WMGQSIWLAAJGJA-UHFFFAOYSA-N 1 1 266.772 3.095 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000181301524 392725814 /nfs/dbraw/zinc/72/58/14/392725814.db2.gz WMGQSIWLAAJGJA-UHFFFAOYSA-N 1 1 266.772 3.095 20 30 CGEDMO Cc1ccc(C#N)c(N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000180430938 392709348 /nfs/dbraw/zinc/70/93/48/392709348.db2.gz IZXVOXMYSZZCQU-GUTXKFCHSA-N 1 1 286.423 3.040 20 30 CGEDMO CCOC(=O)C[N@H+](Cc1ccc(C#N)cc1C)C(C)(C)C ZINC000186261527 392779786 /nfs/dbraw/zinc/77/97/86/392779786.db2.gz OGXUKSMZCNYUNY-UHFFFAOYSA-N 1 1 288.391 3.030 20 30 CGEDMO CCOC(=O)C[N@@H+](Cc1ccc(C#N)cc1C)C(C)(C)C ZINC000186261527 392779794 /nfs/dbraw/zinc/77/97/94/392779794.db2.gz OGXUKSMZCNYUNY-UHFFFAOYSA-N 1 1 288.391 3.030 20 30 CGEDMO Cn1cc(C[N@@H+](C)Cc2ccc(Cl)cc2)cc1C#N ZINC000191175169 392824255 /nfs/dbraw/zinc/82/42/55/392824255.db2.gz XYUWNZIJJYITRC-UHFFFAOYSA-N 1 1 273.767 3.182 20 30 CGEDMO C[C@@H](C#N)C[N@H+](Cc1ccc(F)c2cccnc12)C1CC1 ZINC000338345566 392910820 /nfs/dbraw/zinc/91/08/20/392910820.db2.gz FHORTALZWJZSBB-LBPRGKRZSA-N 1 1 283.350 3.498 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](Cc1ccc(F)c2cccnc12)C1CC1 ZINC000338345566 392910824 /nfs/dbraw/zinc/91/08/24/392910824.db2.gz FHORTALZWJZSBB-LBPRGKRZSA-N 1 1 283.350 3.498 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(O)c2nc(C)ccc12 ZINC000338359973 392912492 /nfs/dbraw/zinc/91/24/92/392912492.db2.gz JONUAQVMOSAVJC-UHFFFAOYSA-N 1 1 256.349 3.257 20 30 CGEDMO C#C[C@H]([NH2+]Cc1ccc(NC(C)=O)cc1)c1ccc(F)cc1 ZINC000491625375 542718143 /nfs/dbraw/zinc/71/81/43/542718143.db2.gz KIQAFNLWBDKIJC-SFHVURJKSA-N 1 1 296.345 3.248 20 30 CGEDMO CC1CC[NH+](C[C@@H]2CCCN([C@H]3CC[C@H](C#N)C3)C2)CC1 ZINC000338942725 392936318 /nfs/dbraw/zinc/93/63/18/392936318.db2.gz OAWBMOAEZLAIRN-BZSNNMDCSA-N 1 1 289.467 3.123 20 30 CGEDMO C=CCOCC[N@H+](CC)[C@H](C)c1ccc(F)cc1 ZINC000338924329 392936667 /nfs/dbraw/zinc/93/66/67/392936667.db2.gz HMJGORZULNYXTK-CYBMUJFWSA-N 1 1 251.345 3.411 20 30 CGEDMO CC(C)C[C@H]1CCCCC[N@H+]1CCOCCC#N ZINC000339004793 392939742 /nfs/dbraw/zinc/93/97/42/392939742.db2.gz YESLFKOURJSLMV-OAHLLOKOSA-N 1 1 252.402 3.207 20 30 CGEDMO CCC[N@H+](Cc1cccc(C#N)c1F)C[C@@H]1CCCCO1 ZINC000340840026 392979987 /nfs/dbraw/zinc/97/99/87/392979987.db2.gz ZIOVCNWNWOLIHZ-INIZCTEOSA-N 1 1 290.382 3.478 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000411790111 392988488 /nfs/dbraw/zinc/98/84/88/392988488.db2.gz GIRKTSBNWHLPRK-ZFWWWQNUSA-N 1 1 287.363 3.466 20 30 CGEDMO N#CC1(CC[N@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)CCCCC1 ZINC000411780465 392988973 /nfs/dbraw/zinc/98/89/73/392988973.db2.gz ABWKMGYWPMIIQB-BRWVUGGUSA-N 1 1 290.451 3.333 20 30 CGEDMO N#CCC[NH2+][C@H](c1ccccc1)C1(CO)CCCCC1 ZINC000412009534 392992207 /nfs/dbraw/zinc/99/22/07/392992207.db2.gz MLTVPRLHDILWGU-MRXNPFEDSA-N 1 1 272.392 3.174 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@@H]2CC[C@@H](C#N)C2)cc1Cl ZINC000412024034 392992987 /nfs/dbraw/zinc/99/29/87/392992987.db2.gz BCSNTBGUJTZDCA-DGCLKSJQSA-N 1 1 278.783 3.473 20 30 CGEDMO C=CCCC1(C(=O)N2CCC[N@@H+](CC3CCC3)CC2)CC1 ZINC000412320724 393000195 /nfs/dbraw/zinc/00/01/95/393000195.db2.gz WVYYHSKPUGJAQM-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO COCC1(C#N)CC[NH+](Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000342820156 393008084 /nfs/dbraw/zinc/00/80/84/393008084.db2.gz GYBGTVBUNXRSMR-HIFRSBDPSA-N 1 1 288.391 3.155 20 30 CGEDMO CC(C)(C#N)CC[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000345735085 393066405 /nfs/dbraw/zinc/06/64/05/393066405.db2.gz LKEBPGWJTYDFCU-UHFFFAOYSA-N 1 1 270.376 3.421 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@H]2CCc3c2cccc3F)o1 ZINC000266204983 393177229 /nfs/dbraw/zinc/17/72/29/393177229.db2.gz MKEGZKYRQVWGIU-HNNXBMFYSA-N 1 1 256.280 3.067 20 30 CGEDMO C=CC[N@H+](Cc1ccnc(C)n1)CC1CCCCC1 ZINC000351588519 393194026 /nfs/dbraw/zinc/19/40/26/393194026.db2.gz IZWGRLXPUKYDGB-UHFFFAOYSA-N 1 1 259.397 3.353 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000279660742 393334749 /nfs/dbraw/zinc/33/47/49/393334749.db2.gz COILIDJBNCXJBU-CJNGLKHVSA-N 1 1 272.392 3.366 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000649323472 393401608 /nfs/dbraw/zinc/40/16/08/393401608.db2.gz QMJCULFMHSZVFQ-XIRDDKMYSA-N 1 1 259.393 3.049 20 30 CGEDMO C[C@@H](C1CCCCC1)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356307786 393418236 /nfs/dbraw/zinc/41/82/36/393418236.db2.gz SNEUHISILZFKHO-NSHDSACASA-N 1 1 263.410 3.415 20 30 CGEDMO C=CC[C@H](C(=O)NCC[N@H+](CC)C(C)C)c1ccccc1 ZINC000426829007 393452702 /nfs/dbraw/zinc/45/27/02/393452702.db2.gz NKCFYUWBAPKCKX-KRWDZBQOSA-N 1 1 288.435 3.193 20 30 CGEDMO C[C@@H]1CC[C@H]([N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000429568279 393484378 /nfs/dbraw/zinc/48/43/78/393484378.db2.gz ZSNIUOMYTXLTBU-DOMZBBRYSA-N 1 1 296.374 3.229 20 30 CGEDMO CCc1ccc([C@@H](COC)[NH2+]Cc2ccc(C#N)c(C)c2)o1 ZINC000488317262 393486451 /nfs/dbraw/zinc/48/64/51/393486451.db2.gz HOTURYNTIACNJJ-QGZVFWFLSA-N 1 1 298.386 3.499 20 30 CGEDMO C[C@@H]1CC[C@@H]([N@@H+](C)CCOc2ccc(C#N)cc2)C1 ZINC000429583350 393488088 /nfs/dbraw/zinc/48/80/88/393488088.db2.gz KDBZIFBBUJABMI-UKRRQHHQSA-N 1 1 258.365 3.057 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000429706708 393496493 /nfs/dbraw/zinc/49/64/93/393496493.db2.gz HBOUQOAHIDMYNX-HNNXBMFYSA-N 1 1 271.408 3.059 20 30 CGEDMO C=CC[N@@H+](C)CCN(CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000429706708 393496497 /nfs/dbraw/zinc/49/64/97/393496497.db2.gz HBOUQOAHIDMYNX-HNNXBMFYSA-N 1 1 271.408 3.059 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000429706708 393496499 /nfs/dbraw/zinc/49/64/99/393496499.db2.gz HBOUQOAHIDMYNX-HNNXBMFYSA-N 1 1 271.408 3.059 20 30 CGEDMO Cc1cc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)ccc1C#N ZINC000488445403 393515497 /nfs/dbraw/zinc/51/54/97/393515497.db2.gz XVFZKZNUICESJV-MOPGFXCFSA-N 1 1 297.446 3.314 20 30 CGEDMO COc1cc([C@H](C)[NH2+]CCC#N)ccc1OC(C)C ZINC000359079460 393534530 /nfs/dbraw/zinc/53/45/30/393534530.db2.gz WQXHUNZZBNKLPX-LBPRGKRZSA-N 1 1 262.353 3.047 20 30 CGEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)CCCC#N)cc1 ZINC000360326057 393563663 /nfs/dbraw/zinc/56/36/63/393563663.db2.gz FDRBUHUGKRIGAJ-CYBMUJFWSA-N 1 1 296.374 3.052 20 30 CGEDMO Cc1cc(C[N@@H+]2CCSC[C@@H](C)C2)ccc1C#N ZINC000489009469 393570369 /nfs/dbraw/zinc/57/03/69/393570369.db2.gz ISVHUMYKQCJCJG-LBPRGKRZSA-N 1 1 260.406 3.052 20 30 CGEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)C(C)C ZINC000432939102 393664233 /nfs/dbraw/zinc/66/42/33/393664233.db2.gz PXBZTQBVNVCQFN-KRWDZBQOSA-N 1 1 274.408 3.033 20 30 CGEDMO C#C[C@H](CC)NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000491461284 393691125 /nfs/dbraw/zinc/69/11/25/393691125.db2.gz CNBFFWBYPQBYET-ZMSDIMECSA-N 1 1 262.441 3.031 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccncc1 ZINC000445575733 393808257 /nfs/dbraw/zinc/80/82/57/393808257.db2.gz GMXCCAHTCBFQIG-ZDUSSCGKSA-N 1 1 251.333 3.146 20 30 CGEDMO CCn1ccnc1[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000453123853 394179731 /nfs/dbraw/zinc/17/97/31/394179731.db2.gz QOHHDSSNNDATCW-CHWSQXEVSA-N 1 1 268.364 3.186 20 30 CGEDMO CCCc1ncc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)o1 ZINC000453400110 394233528 /nfs/dbraw/zinc/23/35/28/394233528.db2.gz YIURZFFFLAISSG-MRXNPFEDSA-N 1 1 281.359 3.276 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H](C(F)(F)F)OC[C@@H]1C ZINC000671715545 543180085 /nfs/dbraw/zinc/18/00/85/543180085.db2.gz IDHWDJSCTOVCKT-RYUDHWBXSA-N 1 1 265.319 3.384 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](C(F)(F)F)OC[C@@H]1C ZINC000671715545 543180087 /nfs/dbraw/zinc/18/00/87/543180087.db2.gz IDHWDJSCTOVCKT-RYUDHWBXSA-N 1 1 265.319 3.384 20 30 CGEDMO N#Cc1cccc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000306216572 397677184 /nfs/dbraw/zinc/67/71/84/397677184.db2.gz CEDXZGNSQZHMRF-SFHVURJKSA-N 1 1 278.355 3.132 20 30 CGEDMO N#Cc1cccc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000306216572 397677186 /nfs/dbraw/zinc/67/71/86/397677186.db2.gz CEDXZGNSQZHMRF-SFHVURJKSA-N 1 1 278.355 3.132 20 30 CGEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1C[C@@H]1C ZINC000488303447 397707217 /nfs/dbraw/zinc/70/72/17/397707217.db2.gz UUXDQXATBMWOPR-GXTWGEPZSA-N 1 1 260.337 3.239 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CC[C@@H](c3ccco3)C2)cc1 ZINC000676560063 543405434 /nfs/dbraw/zinc/40/54/34/543405434.db2.gz FKHYGFRSSNBKAJ-OAHLLOKOSA-N 1 1 269.319 3.260 20 30 CGEDMO CCC#C[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000677047995 543427602 /nfs/dbraw/zinc/42/76/02/543427602.db2.gz MWSHNSJMLFJQAO-ZMSDIMECSA-N 1 1 257.377 3.250 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000677047995 543427605 /nfs/dbraw/zinc/42/76/05/543427605.db2.gz MWSHNSJMLFJQAO-ZMSDIMECSA-N 1 1 257.377 3.250 20 30 CGEDMO FC(F)[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000677731879 543461102 /nfs/dbraw/zinc/46/11/02/543461102.db2.gz PILGEPQUQMJOMR-LBPRGKRZSA-N 1 1 269.722 3.279 20 30 CGEDMO FC(F)[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000677731879 543461103 /nfs/dbraw/zinc/46/11/03/543461103.db2.gz PILGEPQUQMJOMR-LBPRGKRZSA-N 1 1 269.722 3.279 20 30 CGEDMO COCC#CC[N@H+]1CCC[C@@H]1c1cccc(C)c1C ZINC000677818341 543467286 /nfs/dbraw/zinc/46/72/86/543467286.db2.gz ZUSMELOCRGMVBH-QGZVFWFLSA-N 1 1 257.377 3.090 20 30 CGEDMO CCc1oc2ccccc2c1C[N@@H+](C)CC#CCOC ZINC000677816734 543467465 /nfs/dbraw/zinc/46/74/65/543467465.db2.gz AISZEWYZCBSWFQ-UHFFFAOYSA-N 1 1 271.360 3.077 20 30 CGEDMO CO[C@H]1CC[N@H+]([C@H](C)c2ccc(C#N)cc2)CC1(C)C ZINC000295150970 286061889 /nfs/dbraw/zinc/06/18/89/286061889.db2.gz AGKOVWLMWGCGKI-CJNGLKHVSA-N 1 1 272.392 3.366 20 30 CGEDMO COCC#CC[NH2+][C@H](C)c1cccc(Cl)c1Cl ZINC000678780054 543557874 /nfs/dbraw/zinc/55/78/74/543557874.db2.gz DTUPNSVQZAVHHD-SNVBAGLBSA-N 1 1 272.175 3.294 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCOc2ccc(C#N)cc2)CC1 ZINC000063309226 165030192 /nfs/dbraw/zinc/03/01/92/165030192.db2.gz NKRAAHRCURJNFC-CQSZACIVSA-N 1 1 258.365 3.059 20 30 CGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H](C)CC1 ZINC000077272292 165121051 /nfs/dbraw/zinc/12/10/51/165121051.db2.gz ZSMADYRWGXWSHT-CQSZACIVSA-N 1 1 288.391 3.068 20 30 CGEDMO Cn1c2ccccc2[nH+]c1NCc1ccc(C#N)cc1 ZINC000079044631 165142363 /nfs/dbraw/zinc/14/23/63/165142363.db2.gz ZUIAUFJIIMIXNX-UHFFFAOYSA-N 1 1 262.316 3.057 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000342026123 287132028 /nfs/dbraw/zinc/13/20/28/287132028.db2.gz VZDUZDSHEHHHQU-YOEHRIQHSA-N 1 1 270.376 3.122 20 30 CGEDMO Cc1cc(C)c(C#N)c(SCC[C@H]2CCC[N@@H+]2C)n1 ZINC000006897564 170254037 /nfs/dbraw/zinc/25/40/37/170254037.db2.gz LAGSOYSLVVRVMY-CYBMUJFWSA-N 1 1 275.421 3.147 20 30 CGEDMO CC[C@@H]1CCC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000035238524 172076464 /nfs/dbraw/zinc/07/64/64/172076464.db2.gz XIBKLCAJLVBYIJ-CQSZACIVSA-N 1 1 258.365 3.059 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000035718800 172373052 /nfs/dbraw/zinc/37/30/52/172373052.db2.gz VLOLLFMAPSCLPZ-HNNXBMFYSA-N 1 1 281.346 3.256 20 30 CGEDMO C[C@H](NCCC[N@H+]1CCCC[C@H]1C)c1cccc(C#N)c1 ZINC000037200225 260073992 /nfs/dbraw/zinc/07/39/92/260073992.db2.gz NNMFLLLWHNSADL-CVEARBPZSA-N 1 1 285.435 3.473 20 30 CGEDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2ccc(CC#N)cc2)C1(C)C ZINC000343535920 224771154 /nfs/dbraw/zinc/77/11/54/224771154.db2.gz JXRSZOFJUACTCU-AEFFLSMTSA-N 1 1 286.419 3.388 20 30 CGEDMO CCC#C[C@@H](C)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000679159799 543596213 /nfs/dbraw/zinc/59/62/13/543596213.db2.gz MUBCXWREVINDHD-SNVBAGLBSA-N 1 1 255.283 3.338 20 30 CGEDMO CCC#C[C@@H](C)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000679159799 543596214 /nfs/dbraw/zinc/59/62/14/543596214.db2.gz MUBCXWREVINDHD-SNVBAGLBSA-N 1 1 255.283 3.338 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000679871865 543666298 /nfs/dbraw/zinc/66/62/98/543666298.db2.gz BCPKPLRPXYNIDX-CHWSQXEVSA-N 1 1 299.340 3.341 20 30 CGEDMO C=C(C)CC[N@@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000682778461 543868431 /nfs/dbraw/zinc/86/84/31/543868431.db2.gz DESLEUFLFIZZJP-CQSZACIVSA-N 1 1 262.372 3.302 20 30 CGEDMO C=CC[N@@H+](Cc1oc(C)nc1C)Cc1ccccc1 ZINC000683897198 543951275 /nfs/dbraw/zinc/95/12/75/543951275.db2.gz RNWLQYDMADCKRD-UHFFFAOYSA-N 1 1 256.349 3.480 20 30 CGEDMO C=CC[N@H+](Cc1oc(C)nc1C)Cc1ccccc1 ZINC000683897198 543951277 /nfs/dbraw/zinc/95/12/77/543951277.db2.gz RNWLQYDMADCKRD-UHFFFAOYSA-N 1 1 256.349 3.480 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H](C#N)C1CC1 ZINC000329019485 227259844 /nfs/dbraw/zinc/25/98/44/227259844.db2.gz HJHFBMSEHMVYRQ-KBRIMQKVSA-N 1 1 297.402 3.013 20 30 CGEDMO C=CC[C@H]1N(C(=O)[C@H](C)Cc2cnc[nH]2)CCCC1(C)C ZINC000655034331 419016675 /nfs/dbraw/zinc/01/66/75/419016675.db2.gz YCXYXRKDYCFZBS-UKRRQHHQSA-N 1 1 289.423 3.182 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CCC[C@H]2[C@@H](C)CCC)nn1 ZINC000653570899 419051539 /nfs/dbraw/zinc/05/15/39/419051539.db2.gz JAXMKJTTZJNAKH-HOCLYGCPSA-N 1 1 276.428 3.255 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CCc1noc2ccccc21 ZINC000653648373 419065242 /nfs/dbraw/zinc/06/52/42/419065242.db2.gz UKYDIAJZCXGULC-ZDUSSCGKSA-N 1 1 256.349 3.411 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000660431049 419143032 /nfs/dbraw/zinc/14/30/32/419143032.db2.gz XMGKRPIBRFGNBI-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1ccc2c(n1)CCC2 ZINC000656532108 419180455 /nfs/dbraw/zinc/18/04/55/419180455.db2.gz LLDQSFKTSIICDI-UHFFFAOYSA-N 1 1 282.387 3.394 20 30 CGEDMO C=CC[N@@H+](CC#Cc1ccc(Cl)cc1)[C@@H](C)COC ZINC000661244503 419244221 /nfs/dbraw/zinc/24/42/21/419244221.db2.gz VLUFEYWJAGZUFB-AWEZNQCLSA-N 1 1 277.795 3.214 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)N[C@@H](C)c2cccs2)C1 ZINC000661377965 419256036 /nfs/dbraw/zinc/25/60/36/419256036.db2.gz XYWYQOMVLOQDBB-UONOGXRCSA-N 1 1 292.448 3.213 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cnc3c(c2)c(C)nn3C)C1 ZINC000661378328 419256051 /nfs/dbraw/zinc/25/60/51/419256051.db2.gz CVCPGUIUEZVOMS-AWEZNQCLSA-N 1 1 284.407 3.065 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2csc(CC)n2)C1 ZINC000661378710 419256200 /nfs/dbraw/zinc/25/62/00/419256200.db2.gz KWCLKCDKRZZUEV-GFCCVEGCSA-N 1 1 250.411 3.494 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2cnc3ccccc3n2)C1 ZINC000661386700 419256651 /nfs/dbraw/zinc/25/66/51/419256651.db2.gz UOVSAFSALZZUCT-CQSZACIVSA-N 1 1 267.376 3.418 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2noc(-c3cncc(C)c3)n2)C1 ZINC000661385831 419256766 /nfs/dbraw/zinc/25/67/66/419256766.db2.gz QGBBTBVCVOHADX-AWEZNQCLSA-N 1 1 298.390 3.228 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2noc(-c3cncc(C)c3)n2)C1 ZINC000661385831 419256769 /nfs/dbraw/zinc/25/67/69/419256769.db2.gz QGBBTBVCVOHADX-AWEZNQCLSA-N 1 1 298.390 3.228 20 30 CGEDMO C=CC[N@H+](CC(=O)N(CC)c1ccccc1)C(C)(C)C ZINC000661754746 419295483 /nfs/dbraw/zinc/29/54/83/419295483.db2.gz CUIZEXRWEMJQIU-UHFFFAOYSA-N 1 1 274.408 3.326 20 30 CGEDMO C=CC[N@@H+](C[C@H](O)Cc1ccc(F)cc1)C(C)(C)C ZINC000661758236 419296299 /nfs/dbraw/zinc/29/62/99/419296299.db2.gz PZADRKQATSIBBD-OAHLLOKOSA-N 1 1 265.372 3.016 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccc(OC)cc1 ZINC000662078275 419332060 /nfs/dbraw/zinc/33/20/60/419332060.db2.gz AHDCUJFGDTUUEM-IYBDPMFKSA-N 1 1 257.377 3.421 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(CCC(C)C)no1 ZINC000662078808 419333557 /nfs/dbraw/zinc/33/35/57/419333557.db2.gz GZYIQWMILPRZOC-OKILXGFUSA-N 1 1 275.396 3.341 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(CCC(C)C)no1 ZINC000662078808 419333559 /nfs/dbraw/zinc/33/35/59/419333559.db2.gz GZYIQWMILPRZOC-OKILXGFUSA-N 1 1 275.396 3.341 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)c1ccccc1 ZINC000662090314 419334652 /nfs/dbraw/zinc/33/46/52/419334652.db2.gz MLLUTICQFQMKOC-IYBDPMFKSA-N 1 1 255.361 3.442 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@@H]2CCCc3c(C)cccc32)nn1 ZINC000657799375 419357525 /nfs/dbraw/zinc/35/75/25/419357525.db2.gz VWLXVJHDZWCYAZ-GOSISDBHSA-N 1 1 296.418 3.330 20 30 CGEDMO C=CCCCCC[N@@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662228313 419367818 /nfs/dbraw/zinc/36/78/18/419367818.db2.gz XPXBAWMNDSPIOZ-LBPRGKRZSA-N 1 1 265.319 3.386 20 30 CGEDMO C=CCCCCC[N@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662228313 419367820 /nfs/dbraw/zinc/36/78/20/419367820.db2.gz XPXBAWMNDSPIOZ-LBPRGKRZSA-N 1 1 265.319 3.386 20 30 CGEDMO C=CCOc1ccc(CN[C@H](C)C[N@H+](C)C(C)C)cc1 ZINC000312517493 260137607 /nfs/dbraw/zinc/13/76/07/260137607.db2.gz LHFUQPPCYLFEMP-OAHLLOKOSA-N 1 1 276.424 3.070 20 30 CGEDMO C=CCOc1ccc(CN[C@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000312517493 260137608 /nfs/dbraw/zinc/13/76/08/260137608.db2.gz LHFUQPPCYLFEMP-OAHLLOKOSA-N 1 1 276.424 3.070 20 30 CGEDMO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1cccc(C)c1C ZINC000297974533 260139944 /nfs/dbraw/zinc/13/99/44/260139944.db2.gz VOVWFLUBCSJXTN-OAHLLOKOSA-N 1 1 272.392 3.304 20 30 CGEDMO CC(C)(C#N)CC[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000119687060 260635914 /nfs/dbraw/zinc/63/59/14/260635914.db2.gz MHQMRSMNCYAUJU-OAHLLOKOSA-N 1 1 264.413 3.350 20 30 CGEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)c(OC)c2)cc1 ZINC000318511721 261225347 /nfs/dbraw/zinc/22/53/47/261225347.db2.gz YZYJFBGSARQWEU-UHFFFAOYSA-N 1 1 296.370 3.207 20 30 CGEDMO C=CCCC[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000177137960 261334826 /nfs/dbraw/zinc/33/48/26/261334826.db2.gz KPYKSYUQOFRHKU-QGZVFWFLSA-N 1 1 259.393 3.286 20 30 CGEDMO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CCCC#N ZINC000184740619 262027888 /nfs/dbraw/zinc/02/78/88/262027888.db2.gz LEJNYRIBSCNSAM-HOTGVXAUSA-N 1 1 285.435 3.036 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000495627040 262283012 /nfs/dbraw/zinc/28/30/12/262283012.db2.gz TWBUWHXJOZNWTD-ZIAGYGMSSA-N 1 1 282.428 3.330 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H](SC)[C@@H](N2CCCC2)C1 ZINC000488318158 262311713 /nfs/dbraw/zinc/31/17/13/262311713.db2.gz UURBVQSDAULYAK-HOTGVXAUSA-N 1 1 282.497 3.244 20 30 CGEDMO C=CCCCCCN1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000488318158 262311715 /nfs/dbraw/zinc/31/17/15/262311715.db2.gz UURBVQSDAULYAK-HOTGVXAUSA-N 1 1 282.497 3.244 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000496791926 262355496 /nfs/dbraw/zinc/35/54/96/262355496.db2.gz OVPQDBAEGFVHHP-ZIAGYGMSSA-N 1 1 295.427 3.010 20 30 CGEDMO CCCCCCCCNC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366178765 262566024 /nfs/dbraw/zinc/56/60/24/262566024.db2.gz OLXNHHKLOVGNIT-QGZVFWFLSA-N 1 1 295.471 3.084 20 30 CGEDMO Cc1cc(-c2noc([C@@H](C)[NH2+]CCCC#N)n2)ccc1F ZINC000273012373 263010865 /nfs/dbraw/zinc/01/08/65/263010865.db2.gz OVTWRFWXISMDRH-LLVKDONJSA-N 1 1 288.326 3.139 20 30 CGEDMO N#CCCC[NH2+][C@H](c1ccccc1)c1ccc(F)cn1 ZINC000273320813 263015457 /nfs/dbraw/zinc/01/54/57/263015457.db2.gz ZFVMHLPSPUBCSV-MRXNPFEDSA-N 1 1 269.323 3.203 20 30 CGEDMO COc1ccc(C[C@H](C)C[N@@H+](C)C[C@@H](C)C#N)cc1F ZINC000274707707 263029522 /nfs/dbraw/zinc/02/95/22/263029522.db2.gz ZOPLQNRKLSQPFR-STQMWFEESA-N 1 1 278.371 3.104 20 30 CGEDMO C[C@H](CCC#N)[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000276280725 263035611 /nfs/dbraw/zinc/03/56/11/263035611.db2.gz FUYNTQBMACDDKR-GFCCVEGCSA-N 1 1 266.772 3.343 20 30 CGEDMO N#CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000278717542 263049851 /nfs/dbraw/zinc/04/98/51/263049851.db2.gz MAOGFNUFIMJOKM-BCDXTJNWSA-N 1 1 283.419 3.075 20 30 CGEDMO N#CCCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000278717542 263049852 /nfs/dbraw/zinc/04/98/52/263049852.db2.gz MAOGFNUFIMJOKM-BCDXTJNWSA-N 1 1 283.419 3.075 20 30 CGEDMO N#CCCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000278717542 263049853 /nfs/dbraw/zinc/04/98/53/263049853.db2.gz MAOGFNUFIMJOKM-BCDXTJNWSA-N 1 1 283.419 3.075 20 30 CGEDMO C[N@H+](Cc1nc2ccccc2s1)[C@@H]1CC[C@@H](C#N)C1 ZINC000278751041 263050777 /nfs/dbraw/zinc/05/07/77/263050777.db2.gz XCKPEJDGOHGOES-VXGBXAGGSA-N 1 1 271.389 3.420 20 30 CGEDMO C[N@@H+](Cc1nc2ccccc2s1)[C@@H]1CC[C@@H](C#N)C1 ZINC000278751041 263050778 /nfs/dbraw/zinc/05/07/78/263050778.db2.gz XCKPEJDGOHGOES-VXGBXAGGSA-N 1 1 271.389 3.420 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@@H](C2CC2)O1 ZINC000279407578 263055248 /nfs/dbraw/zinc/05/52/48/263055248.db2.gz VQRSBLAGKBUZEO-KSSFIOAISA-N 1 1 298.430 3.487 20 30 CGEDMO C[N@@H+](Cc1ccc(Br)o1)[C@@H]1CC[C@H](C#N)C1 ZINC000280954829 263065377 /nfs/dbraw/zinc/06/53/77/263065377.db2.gz JBRFNYADBKLBOO-VHSXEESVSA-N 1 1 283.169 3.166 20 30 CGEDMO CC1=C(Br)C[N@H+](CCC(C)(C)C#N)CC1 ZINC000281087373 263066464 /nfs/dbraw/zinc/06/64/64/263066464.db2.gz LQIDJPHABBIZTJ-UHFFFAOYSA-N 1 1 271.202 3.301 20 30 CGEDMO CC1=C(Br)C[N@@H+](CCC(C)(C)C#N)CC1 ZINC000281087373 263066465 /nfs/dbraw/zinc/06/64/65/263066465.db2.gz LQIDJPHABBIZTJ-UHFFFAOYSA-N 1 1 271.202 3.301 20 30 CGEDMO CCOC(=O)c1c[nH+]ccc1NCC1CCC(C#N)CC1 ZINC000281728999 263071392 /nfs/dbraw/zinc/07/13/92/263071392.db2.gz WCPPWBNXXDEYIK-UHFFFAOYSA-N 1 1 287.363 3.000 20 30 CGEDMO N#CCCCC[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000285921367 263096618 /nfs/dbraw/zinc/09/66/18/263096618.db2.gz LHJNHAHPWNKKBD-KZNAEPCWSA-N 1 1 284.403 3.185 20 30 CGEDMO N#CCCCNc1cc(NCCCC#N)c2ccncc2[nH+]1 ZINC000287055290 263100819 /nfs/dbraw/zinc/10/08/19/263100819.db2.gz XCJJLQCAQMICNX-UHFFFAOYSA-N 1 1 294.362 3.061 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000340288355 263104902 /nfs/dbraw/zinc/10/49/02/263104902.db2.gz ZVSYHJWCILFRLX-QGZVFWFLSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C(C)CN(CC)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000340288355 263104903 /nfs/dbraw/zinc/10/49/03/263104903.db2.gz ZVSYHJWCILFRLX-QGZVFWFLSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C(C)CN(CC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000340288355 263104904 /nfs/dbraw/zinc/10/49/04/263104904.db2.gz ZVSYHJWCILFRLX-QGZVFWFLSA-N 1 1 258.409 3.159 20 30 CGEDMO C[N@@H+]1CC[C@]2(CCN(Cc3ccccc3C(C)(C)C#N)C2)C1 ZINC000292088159 263128286 /nfs/dbraw/zinc/12/82/86/263128286.db2.gz GJGCFMFYCVFBMH-IBGZPJMESA-N 1 1 297.446 3.015 20 30 CGEDMO C[N@H+]1CC[C@]2(CCN(Cc3ccccc3C(C)(C)C#N)C2)C1 ZINC000292088159 263128287 /nfs/dbraw/zinc/12/82/87/263128287.db2.gz GJGCFMFYCVFBMH-IBGZPJMESA-N 1 1 297.446 3.015 20 30 CGEDMO CC[N@@H+](CCOCCC#N)Cc1ccccc1Cl ZINC000292689267 263133847 /nfs/dbraw/zinc/13/38/47/263133847.db2.gz AKJHRTBEICENRA-UHFFFAOYSA-N 1 1 266.772 3.092 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H](O)C12CCCC2 ZINC000292718053 263134248 /nfs/dbraw/zinc/13/42/48/263134248.db2.gz LXFCYBQRXVOMTQ-KRWDZBQOSA-N 1 1 298.430 3.367 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)C1 ZINC000293147536 263138377 /nfs/dbraw/zinc/13/83/77/263138377.db2.gz UBRJTOALGSQGPX-XPKDYRNWSA-N 1 1 290.794 3.485 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](COc3ccccc3)C2)C1 ZINC000294690092 263166322 /nfs/dbraw/zinc/16/63/22/263166322.db2.gz TUSRHUARJWJUBJ-OWCLPIDISA-N 1 1 270.376 3.080 20 30 CGEDMO C[C@@H](C#N)C[N@H+](C)C[C@H](C)c1cc(F)cc(F)c1 ZINC000294832169 263168019 /nfs/dbraw/zinc/16/80/19/263168019.db2.gz NLBVTGCSFKFWSF-QWRGUYRKSA-N 1 1 252.308 3.160 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C)C[C@H](C)c1cc(F)cc(F)c1 ZINC000294832169 263168020 /nfs/dbraw/zinc/16/80/20/263168020.db2.gz NLBVTGCSFKFWSF-QWRGUYRKSA-N 1 1 252.308 3.160 20 30 CGEDMO CC[N@H+](CC#Cc1ccc(F)cc1)Cc1ccccn1 ZINC000156844315 263274226 /nfs/dbraw/zinc/27/42/26/263274226.db2.gz USCPMMSAGHVRKY-UHFFFAOYSA-N 1 1 268.335 3.094 20 30 CGEDMO CC[N@@H+](CC#Cc1ccc(F)cc1)Cc1ccccn1 ZINC000156844315 263274228 /nfs/dbraw/zinc/27/42/28/263274228.db2.gz USCPMMSAGHVRKY-UHFFFAOYSA-N 1 1 268.335 3.094 20 30 CGEDMO CC(C)C[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)C(C)C ZINC000340909320 263314330 /nfs/dbraw/zinc/31/43/30/263314330.db2.gz FTQQXWSHWUHNIO-UHFFFAOYSA-N 1 1 293.455 3.038 20 30 CGEDMO C=CC[C@@H](CC)NC(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000341432044 263338192 /nfs/dbraw/zinc/33/81/92/263338192.db2.gz CVJXKDRLLXIKHF-JKSUJKDBSA-N 1 1 295.471 3.008 20 30 CGEDMO C=C1CC[NH+]([C@@H](C)C(=O)N2CCCc3ccccc32)CC1 ZINC000342008157 263377177 /nfs/dbraw/zinc/37/71/77/263377177.db2.gz QLXPHDAHLLDPGW-HNNXBMFYSA-N 1 1 284.403 3.006 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(OC(F)F)c(OC)c1 ZINC000052921002 264185685 /nfs/dbraw/zinc/18/56/85/264185685.db2.gz KMSDZISVXFVMTQ-UHFFFAOYSA-N 1 1 271.307 3.305 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)C[C@H](OC)C1CC1 ZINC000425421161 264312892 /nfs/dbraw/zinc/31/28/92/264312892.db2.gz LTPNDSDHRJMBSC-HNNXBMFYSA-N 1 1 252.402 3.063 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C)cc1F ZINC000076733851 264342809 /nfs/dbraw/zinc/34/28/09/264342809.db2.gz HWKYVVYDFUQQTJ-CYBMUJFWSA-N 1 1 278.371 3.359 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCc2c(Cl)cccc2C1 ZINC000130409909 264352772 /nfs/dbraw/zinc/35/27/72/264352772.db2.gz PYHWHLXGULMCIU-ZDUSSCGKSA-N 1 1 265.784 3.025 20 30 CGEDMO C=CCCC[N@@H+](C)Cc1noc(-c2ccsc2)n1 ZINC000132514995 264388651 /nfs/dbraw/zinc/38/86/51/264388651.db2.gz CLEPISXHWGTNAN-UHFFFAOYSA-N 1 1 263.366 3.196 20 30 CGEDMO C=CCCC[N@H+](C)Cc1noc(-c2ccsc2)n1 ZINC000132514995 264388654 /nfs/dbraw/zinc/38/86/54/264388654.db2.gz CLEPISXHWGTNAN-UHFFFAOYSA-N 1 1 263.366 3.196 20 30 CGEDMO C#CCOc1ccc(C[NH2+][C@H](COC)c2ccc(C)o2)cc1 ZINC000080237635 264392264 /nfs/dbraw/zinc/39/22/64/264392264.db2.gz OINSQBIEZSJNOZ-QGZVFWFLSA-N 1 1 299.370 3.077 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182844716 264518576 /nfs/dbraw/zinc/51/85/76/264518576.db2.gz CATBFQPJZUVUTG-NSHDSACASA-N 1 1 273.302 3.115 20 30 CGEDMO CCC[N@@H+](CCO)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000103466899 270045827 /nfs/dbraw/zinc/04/58/27/270045827.db2.gz QPKBRUZNURTURM-UHFFFAOYSA-N 1 1 294.398 3.430 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000518995951 265287109 /nfs/dbraw/zinc/28/71/09/265287109.db2.gz OHLIBTIQSZWWPN-HNNXBMFYSA-N 1 1 294.826 3.367 20 30 CGEDMO C[C@H](c1ccccc1)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000516232812 270097408 /nfs/dbraw/zinc/09/74/08/270097408.db2.gz VILIVRHWSXNDSE-CYBMUJFWSA-N 1 1 251.333 3.146 20 30 CGEDMO C=CCCC1(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000356195034 266068574 /nfs/dbraw/zinc/06/85/74/266068574.db2.gz MQCKGEKCWHTHGN-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000356537431 266133120 /nfs/dbraw/zinc/13/31/20/266133120.db2.gz ZBTQBFYKUSJWGV-KRWDZBQOSA-N 1 1 297.402 3.203 20 30 CGEDMO C=CC[N@@H+](CC(=O)N1c2ccccc2CC[C@@H]1C)C1CC1 ZINC000357553860 266321946 /nfs/dbraw/zinc/32/19/46/266321946.db2.gz PITNWEGZEGMLME-AWEZNQCLSA-N 1 1 284.403 3.005 20 30 CGEDMO C=CC[N@H+](CC(=O)N1c2ccccc2CC[C@@H]1C)C1CC1 ZINC000357553860 266321948 /nfs/dbraw/zinc/32/19/48/266321948.db2.gz PITNWEGZEGMLME-AWEZNQCLSA-N 1 1 284.403 3.005 20 30 CGEDMO C=CC[N@H+](CCCOCC)Cc1ccccc1F ZINC000357618772 266336833 /nfs/dbraw/zinc/33/68/33/266336833.db2.gz OTLNTDVBVIOAOT-UHFFFAOYSA-N 1 1 251.345 3.240 20 30 CGEDMO Cc1cc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)ccn1 ZINC000527540726 270129796 /nfs/dbraw/zinc/12/97/96/270129796.db2.gz VNXZSDNEVYVAQE-CQSZACIVSA-N 1 1 265.360 3.455 20 30 CGEDMO C=CCCCCC[N@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000362929847 267062788 /nfs/dbraw/zinc/06/27/88/267062788.db2.gz HOFBKTFISMCIPI-UHFFFAOYSA-N 1 1 286.419 3.496 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000367689236 267109625 /nfs/dbraw/zinc/10/96/25/267109625.db2.gz UNDSCDXOFRWVRJ-HZPDHXFCSA-N 1 1 278.440 3.455 20 30 CGEDMO COCC[C@H]1CCCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000368657943 267194329 /nfs/dbraw/zinc/19/43/29/267194329.db2.gz FYAKJISGFBBPMJ-OAHLLOKOSA-N 1 1 266.429 3.455 20 30 CGEDMO CCCCCCC[N@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000119064227 267295417 /nfs/dbraw/zinc/29/54/17/267295417.db2.gz QHNUSZAFJSCUIC-UHFFFAOYSA-N 1 1 290.333 3.083 20 30 CGEDMO CCCCCCC[N@@H+]1CCn2c(nnc2C(F)(F)F)C1 ZINC000119064227 267295415 /nfs/dbraw/zinc/29/54/15/267295415.db2.gz QHNUSZAFJSCUIC-UHFFFAOYSA-N 1 1 290.333 3.083 20 30 CGEDMO CCCCCCCC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000119126042 267302330 /nfs/dbraw/zinc/30/23/30/267302330.db2.gz KVUYRFLARRVQMN-CVEARBPZSA-N 1 1 280.456 3.290 20 30 CGEDMO N#CC1(C[NH2+]Cc2cccc(OC(F)(F)F)c2)CCC1 ZINC000418135311 267367973 /nfs/dbraw/zinc/36/79/73/267367973.db2.gz AJMAHARWQWMLCV-UHFFFAOYSA-N 1 1 284.281 3.369 20 30 CGEDMO CC(C)(C)c1ncc(C[NH2+]CC2(C#N)CCC2)s1 ZINC000418137403 267371473 /nfs/dbraw/zinc/37/14/73/267371473.db2.gz DSRMBRPJWHOIBJ-UHFFFAOYSA-N 1 1 263.410 3.224 20 30 CGEDMO CCCCCCCC[N@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000371301808 267385275 /nfs/dbraw/zinc/38/52/75/267385275.db2.gz HGPAUNUQTWIDAB-HOTGVXAUSA-N 1 1 280.456 3.338 20 30 CGEDMO C[C@H]1CC(F)(F)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000528769809 270171986 /nfs/dbraw/zinc/17/19/86/270171986.db2.gz STXLZITYHKKJQB-JTQLQIEISA-N 1 1 268.282 3.317 20 30 CGEDMO C[C@H]1CC(F)(F)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000528769809 270171987 /nfs/dbraw/zinc/17/19/87/270171987.db2.gz STXLZITYHKKJQB-JTQLQIEISA-N 1 1 268.282 3.317 20 30 CGEDMO Cc1cc(NC[C@@H]2CC[N@H+]2C2CCCCC2)cc(C#N)n1 ZINC000528118258 268011468 /nfs/dbraw/zinc/01/14/68/268011468.db2.gz PLIGLUQEWVDKOW-KRWDZBQOSA-N 1 1 284.407 3.081 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccccn2)c(F)c1 ZINC000530962850 268219504 /nfs/dbraw/zinc/21/95/04/268219504.db2.gz IAZZJGVLFXHNGM-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccccn2)c(F)c1 ZINC000530962850 268219507 /nfs/dbraw/zinc/21/95/07/268219507.db2.gz IAZZJGVLFXHNGM-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO C[C@@H]([N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1)C(C)(C)C ZINC000533250555 270222353 /nfs/dbraw/zinc/22/23/53/270222353.db2.gz WNIKZHNQKKFVLE-GFCCVEGCSA-N 1 1 298.390 3.475 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000352285525 274316560 /nfs/dbraw/zinc/31/65/60/274316560.db2.gz GIBOSZYNDQOKRX-JTDSTZFVSA-N 1 1 297.446 3.395 20 30 CGEDMO C[C@H](NCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000019913033 278258037 /nfs/dbraw/zinc/25/80/37/278258037.db2.gz NPVYJKMFOOYPEE-HOTGVXAUSA-N 1 1 285.435 3.473 20 30 CGEDMO C[C@H](NCCC[N@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000019913033 278258039 /nfs/dbraw/zinc/25/80/39/278258039.db2.gz NPVYJKMFOOYPEE-HOTGVXAUSA-N 1 1 285.435 3.473 20 30 CGEDMO C[C@H]1CCCC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000335305149 278329789 /nfs/dbraw/zinc/32/97/89/278329789.db2.gz WMTVFUMSXPCHBE-SWLSCSKDSA-N 1 1 271.364 3.257 20 30 CGEDMO C[C@@H](NCC[N@H+]1[C@H](C)CCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000344068589 278347367 /nfs/dbraw/zinc/34/73/67/278347367.db2.gz HAQFLBRAAYFFDE-OWCLPIDISA-N 1 1 285.435 3.472 20 30 CGEDMO C[C@@H](NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000344068589 278347368 /nfs/dbraw/zinc/34/73/68/278347368.db2.gz HAQFLBRAAYFFDE-OWCLPIDISA-N 1 1 285.435 3.472 20 30 CGEDMO C[C@@H](Nc1ccc(C#N)cn1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000273036467 278389925 /nfs/dbraw/zinc/38/99/25/278389925.db2.gz VPJCWIRDXCRSRF-UKRRQHHQSA-N 1 1 284.407 3.018 20 30 CGEDMO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459333459 279079284 /nfs/dbraw/zinc/07/92/84/279079284.db2.gz BTBDKNQMFVKXJZ-NWDGAFQWSA-N 1 1 273.336 3.087 20 30 CGEDMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459333459 279079285 /nfs/dbraw/zinc/07/92/85/279079285.db2.gz BTBDKNQMFVKXJZ-NWDGAFQWSA-N 1 1 273.336 3.087 20 30 CGEDMO CCN(CCC#N)C(=O)C[N@@H+](CCC(C)C)C1CCCC1 ZINC000346783001 279172308 /nfs/dbraw/zinc/17/23/08/279172308.db2.gz VCZUJEJHDUWYQD-UHFFFAOYSA-N 1 1 293.455 3.039 20 30 CGEDMO C[C@@]12CC[N@H+](CC#Cc3ccc(F)cc3)C[C@@H]1C2(F)F ZINC000336114865 279179466 /nfs/dbraw/zinc/17/94/66/279179466.db2.gz GZJIZENPHRVNAV-LSDHHAIUSA-N 1 1 279.305 3.154 20 30 CGEDMO C[C@@]12CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@@H]1C2(F)F ZINC000336114865 279179468 /nfs/dbraw/zinc/17/94/68/279179468.db2.gz GZJIZENPHRVNAV-LSDHHAIUSA-N 1 1 279.305 3.154 20 30 CGEDMO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccn(C)n1 ZINC000334869718 279509727 /nfs/dbraw/zinc/50/97/27/279509727.db2.gz YRLYAVISHMEYPS-YVEFUNNKSA-N 1 1 280.375 3.020 20 30 CGEDMO CC[C@@H](NCCC[NH+]1CCCCC1)c1ccc(C#N)cc1 ZINC000447514298 280186939 /nfs/dbraw/zinc/18/69/39/280186939.db2.gz CWFGZEKSYBXUPJ-GOSISDBHSA-N 1 1 285.435 3.475 20 30 CGEDMO CC[C@@H]([NH2+]CCCN1CCCCC1)c1ccc(C#N)cc1 ZINC000447514298 280186941 /nfs/dbraw/zinc/18/69/41/280186941.db2.gz CWFGZEKSYBXUPJ-GOSISDBHSA-N 1 1 285.435 3.475 20 30 CGEDMO Cc1cc(C#N)cc(N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)n1 ZINC000341724991 280313857 /nfs/dbraw/zinc/31/38/57/280313857.db2.gz CMMXGLXEGMJODB-UXLLHSPISA-N 1 1 298.434 3.103 20 30 CGEDMO Cc1cnc(C[NH2+][C@H](C)c2ccc(C#N)cc2)s1 ZINC000180137026 281595303 /nfs/dbraw/zinc/59/53/03/281595303.db2.gz KKNKOOZOFOBHBL-LLVKDONJSA-N 1 1 257.362 3.174 20 30 CGEDMO COc1cc(C[N@@H+](C2CC2)C2CCCC2)ccc1C#N ZINC000555948583 289365955 /nfs/dbraw/zinc/36/59/55/289365955.db2.gz LUFVUUZEWHJSEB-UHFFFAOYSA-N 1 1 270.376 3.474 20 30 CGEDMO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cn2)cc1[N+](=O)[O-] ZINC000558247344 289481807 /nfs/dbraw/zinc/48/18/07/289481807.db2.gz UJOUMHVOFHMJBY-GFCCVEGCSA-N 1 1 296.330 3.021 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)CC[C@@H]1CCCCO1 ZINC000347431084 527680759 /nfs/dbraw/zinc/68/07/59/527680759.db2.gz CZUQMYRBRBUMJJ-AWEZNQCLSA-N 1 1 252.402 3.207 20 30 CGEDMO N#C[C@H]1CCC[C@H]([NH2+]Cc2nc(C(F)(F)F)cs2)C1 ZINC000192888039 327878563 /nfs/dbraw/zinc/87/85/63/327878563.db2.gz ZODHCSHCIQATDV-IUCAKERBSA-N 1 1 289.326 3.334 20 30 CGEDMO CC#CC[N@@H+](C)CCCCCn1c(C)nc2ccccc21 ZINC000571065509 328083778 /nfs/dbraw/zinc/08/37/78/328083778.db2.gz ZEZRMOMMVCFFEL-UHFFFAOYSA-N 1 1 283.419 3.470 20 30 CGEDMO C[C@H](O)[C@H]1CCCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000269021595 328188795 /nfs/dbraw/zinc/18/87/95/328188795.db2.gz ZGUVZLOZPCLRJR-WMLDXEAASA-N 1 1 286.419 3.223 20 30 CGEDMO C[N@@H+](CCCC#N)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273574153 328205258 /nfs/dbraw/zinc/20/52/58/328205258.db2.gz YQEICZCWAOJFNQ-CVEARBPZSA-N 1 1 276.355 3.281 20 30 CGEDMO C[C@H](CCC#N)[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000276359923 328217721 /nfs/dbraw/zinc/21/77/21/328217721.db2.gz YMEHTAPJKSJDMF-AEFFLSMTSA-N 1 1 285.435 3.133 20 30 CGEDMO C[C@H](CCC#N)[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000276359923 328217723 /nfs/dbraw/zinc/21/77/23/328217723.db2.gz YMEHTAPJKSJDMF-AEFFLSMTSA-N 1 1 285.435 3.133 20 30 CGEDMO C[C@H](CCC#N)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000276359923 328217725 /nfs/dbraw/zinc/21/77/25/328217725.db2.gz YMEHTAPJKSJDMF-AEFFLSMTSA-N 1 1 285.435 3.133 20 30 CGEDMO C[C@H](CCC#N)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276359923 328217727 /nfs/dbraw/zinc/21/77/27/328217727.db2.gz YMEHTAPJKSJDMF-AEFFLSMTSA-N 1 1 285.435 3.133 20 30 CGEDMO C[N@H+](Cc1nc2c(s1)CCCC2)[C@@H]1CC[C@@H](C#N)C1 ZINC000278516885 328226241 /nfs/dbraw/zinc/22/62/41/328226241.db2.gz CBQVPGNKXRMLRC-VXGBXAGGSA-N 1 1 275.421 3.146 20 30 CGEDMO C[N@@H+](Cc1nc2c(s1)CCCC2)[C@@H]1CC[C@@H](C#N)C1 ZINC000278516885 328226243 /nfs/dbraw/zinc/22/62/43/328226243.db2.gz CBQVPGNKXRMLRC-VXGBXAGGSA-N 1 1 275.421 3.146 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](CC1CCC(F)(F)CC1)C1CC1 ZINC000459376978 329231708 /nfs/dbraw/zinc/23/17/08/329231708.db2.gz OUOMVBPPKYBKDY-NSHDSACASA-N 1 1 256.340 3.436 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@H](C)C(=O)Nc1cccc(SC)c1 ZINC000181272801 329228895 /nfs/dbraw/zinc/22/88/95/329228895.db2.gz OVALZBUGTFSTGU-GFCCVEGCSA-N 1 1 278.421 3.243 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1cccc(SC)c1 ZINC000181272801 329228896 /nfs/dbraw/zinc/22/88/96/329228896.db2.gz OVALZBUGTFSTGU-GFCCVEGCSA-N 1 1 278.421 3.243 20 30 CGEDMO COCCc1cc[nH+]c(NCC(C)(C)CCC#N)c1 ZINC000285511037 328247816 /nfs/dbraw/zinc/24/78/16/328247816.db2.gz NKEYMICLXIOBEX-UHFFFAOYSA-N 1 1 261.369 3.012 20 30 CGEDMO CC[C@H](c1ccccc1)[N@@H+](CC)CCOCCC#N ZINC000293340250 328275435 /nfs/dbraw/zinc/27/54/35/328275435.db2.gz DBZWBVBTVDCMSK-MRXNPFEDSA-N 1 1 260.381 3.390 20 30 CGEDMO CC(C)[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000566621688 322131928 /nfs/dbraw/zinc/13/19/28/322131928.db2.gz JEKOBDFWTOKBTK-HNNXBMFYSA-N 1 1 287.363 3.477 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000569689957 322254471 /nfs/dbraw/zinc/25/44/71/322254471.db2.gz VZPKFHXJPUFFAU-LRDDRELGSA-N 1 1 258.340 3.462 20 30 CGEDMO C=CC[N@H+](CCOc1ccc(OCC)cc1)C1CC1 ZINC000357549995 327018516 /nfs/dbraw/zinc/01/85/16/327018516.db2.gz GGKLDVBQRYZIPH-UHFFFAOYSA-N 1 1 261.365 3.115 20 30 CGEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC[C@@H]2C)cc1 ZINC000076117660 327128819 /nfs/dbraw/zinc/12/88/19/327128819.db2.gz MEAROIUNYWUACF-JKSUJKDBSA-N 1 1 299.418 3.115 20 30 CGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2C)c1 ZINC000076114840 327129014 /nfs/dbraw/zinc/12/90/14/327129014.db2.gz BORVYBWGAAKHQC-INIZCTEOSA-N 1 1 299.418 3.034 20 30 CGEDMO C=CCCC[N@@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000559311298 327157934 /nfs/dbraw/zinc/15/79/34/327157934.db2.gz KFHUWQQHUPBHOM-GFCCVEGCSA-N 1 1 265.319 3.384 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+][C@H]1CCCc2c(F)cc(F)cc21 ZINC000584281852 327215780 /nfs/dbraw/zinc/21/57/80/327215780.db2.gz XMNOXXJWVFXVNW-BZNIZROVSA-N 1 1 289.329 3.375 20 30 CGEDMO C=C(C)C[N@@H+](CC)[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000152536388 327279616 /nfs/dbraw/zinc/27/96/16/327279616.db2.gz SECGXECXFMRDPP-CQSZACIVSA-N 1 1 270.380 3.226 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000152536388 327279618 /nfs/dbraw/zinc/27/96/18/327279618.db2.gz SECGXECXFMRDPP-CQSZACIVSA-N 1 1 270.380 3.226 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCc2ccccc2C1(C)C ZINC000560971826 327355200 /nfs/dbraw/zinc/35/52/00/327355200.db2.gz ZKGZYDKZGZVQIN-OAHLLOKOSA-N 1 1 259.393 3.107 20 30 CGEDMO C=CCCCCC[NH2+][C@@H](Cc1ccccc1)[C@H](C)N ZINC000570696393 327611742 /nfs/dbraw/zinc/61/17/42/327611742.db2.gz LOCFAWJQCFROON-RDJZCZTQSA-N 1 1 260.425 3.281 20 30 CGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](C)[C@H]1C ZINC000177882875 329193709 /nfs/dbraw/zinc/19/37/09/329193709.db2.gz SQEDNNIBYBSYCX-OAGGEKHMSA-N 1 1 299.418 3.052 20 30 CGEDMO C=CCOc1cccc(C[N@H+](C)[C@H](CO)C(C)(C)C)c1 ZINC000180144880 329217874 /nfs/dbraw/zinc/21/78/74/329217874.db2.gz QJRTWMFGPLNRPA-MRXNPFEDSA-N 1 1 277.408 3.090 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cccc(OC)c1OC(F)F ZINC000181048084 329225359 /nfs/dbraw/zinc/22/53/59/329225359.db2.gz XFNAXXVMZPTQBX-UHFFFAOYSA-N 1 1 271.307 3.305 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cc(OC)cc2c1O[C@@H](C)C2 ZINC000181053649 329225402 /nfs/dbraw/zinc/22/54/02/329225402.db2.gz IMFFKOIIUBFQEP-LBPRGKRZSA-N 1 1 261.365 3.027 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)N[C@@H](CCC)c1ccccc1 ZINC000181250447 329227607 /nfs/dbraw/zinc/22/76/07/329227607.db2.gz HMQIAVFMALREMC-INIZCTEOSA-N 1 1 274.408 3.152 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)C[C@H]1CCC(C)(C)O1 ZINC000184675789 329262060 /nfs/dbraw/zinc/26/20/60/329262060.db2.gz SWOHELJJYZHBKQ-CYBMUJFWSA-N 1 1 252.402 3.206 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@H]1CCC(C)(C)O1 ZINC000184675789 329262061 /nfs/dbraw/zinc/26/20/61/329262061.db2.gz SWOHELJJYZHBKQ-CYBMUJFWSA-N 1 1 252.402 3.206 20 30 CGEDMO C=CCCCC(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000582968019 329295314 /nfs/dbraw/zinc/29/53/14/329295314.db2.gz KGVJAVHEGMOMKR-GOSISDBHSA-N 1 1 286.419 3.124 20 30 CGEDMO CN(C)CC[C@@H]([NH2+][C@H]1CCC[C@H](C#N)C1)C(C)(C)C ZINC000185827943 329329787 /nfs/dbraw/zinc/32/97/87/329329787.db2.gz RUIFYHNQGJGPCX-SOUVJXGZSA-N 1 1 265.445 3.025 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1ccc2sccc2c1 ZINC000583844334 329489473 /nfs/dbraw/zinc/48/94/73/329489473.db2.gz DFTCORNCMBGGFI-ZDUSSCGKSA-N 1 1 269.373 3.434 20 30 CGEDMO COC[C@H]([NH2+]C1CC(C#N)(c2ccccc2)C1)c1ccco1 ZINC000127494716 329599939 /nfs/dbraw/zinc/59/99/39/329599939.db2.gz YTHAWAWBYDBZAK-PQUAAJSLSA-N 1 1 296.370 3.181 20 30 CGEDMO C=CCn1cc(C[NH2+][C@H](CC)c2cccc(C)c2)nn1 ZINC000424289654 330334440 /nfs/dbraw/zinc/33/44/40/330334440.db2.gz AASGXOLJPIBYHL-MRXNPFEDSA-N 1 1 270.380 3.013 20 30 CGEDMO CN(C)CC[C@@H]([NH2+]C1CCC(C)(C#N)CC1)C(C)(C)C ZINC000449145406 330901603 /nfs/dbraw/zinc/90/16/03/330901603.db2.gz XTWMIULKDSXKHC-ISXOHVOVSA-N 1 1 279.472 3.415 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H](O)[C@H](C)c1ccccc1 ZINC000450875583 331004154 /nfs/dbraw/zinc/00/41/54/331004154.db2.gz FMFNAADEFNWILJ-DJIMGWMZSA-N 1 1 259.393 3.192 20 30 CGEDMO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ncc(-c2cccs2)o1 ZINC000451673597 331038332 /nfs/dbraw/zinc/03/83/32/331038332.db2.gz LHLFBCIABNHFTC-NEPJUHHUSA-N 1 1 290.388 3.226 20 30 CGEDMO C=CC(C)(C)C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000452360127 331063104 /nfs/dbraw/zinc/06/31/04/331063104.db2.gz WEFKPVZMPQHLTA-UHFFFAOYSA-N 1 1 283.375 3.452 20 30 CGEDMO CC(C)[C@@H]([NH2+]C1CCC(C)(C#N)CC1)C(=O)OC(C)(C)C ZINC000453187230 331098832 /nfs/dbraw/zinc/09/88/32/331098832.db2.gz VGNCCSCSOQWPOX-XOYHFGRZSA-N 1 1 294.439 3.415 20 30 CGEDMO C[NH+](C)Cc1ccsc1C(=O)Nc1cccc(CC#N)c1 ZINC000456757806 331200463 /nfs/dbraw/zinc/20/04/63/331200463.db2.gz UWGNTIVIMVYBKJ-UHFFFAOYSA-N 1 1 299.399 3.128 20 30 CGEDMO C=CCC1(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CCCCC1 ZINC000458215497 331245251 /nfs/dbraw/zinc/24/52/51/331245251.db2.gz UKZUKBQHVSYHON-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCC1(C(=O)NCC[C@H]2CCC[N@H+](C)C2)CCCCC1 ZINC000458215503 331245253 /nfs/dbraw/zinc/24/52/53/331245253.db2.gz UKZUKBQHVSYHON-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000489422336 332051154 /nfs/dbraw/zinc/05/11/54/332051154.db2.gz DRUCTDBZMVRBDW-PKOBYXMFSA-N 1 1 298.430 3.294 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000489422336 332051156 /nfs/dbraw/zinc/05/11/56/332051156.db2.gz DRUCTDBZMVRBDW-PKOBYXMFSA-N 1 1 298.430 3.294 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1cc(C)ccc1C ZINC000489489992 332055869 /nfs/dbraw/zinc/05/58/69/332055869.db2.gz BWOXKALOORQCOZ-IAGOWNOFSA-N 1 1 289.419 3.084 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CCOc1ccccc1OC ZINC000489493411 332056291 /nfs/dbraw/zinc/05/62/91/332056291.db2.gz SEGKBDWHWSGKOD-AWEZNQCLSA-N 1 1 261.365 3.115 20 30 CGEDMO C#CC[N@@H+](CCCCC#N)[C@H]1CCc2ccccc21 ZINC000490763508 332114093 /nfs/dbraw/zinc/11/40/93/332114093.db2.gz SVJFNXHGCLKGMF-KRWDZBQOSA-N 1 1 252.361 3.303 20 30 CGEDMO Clc1cccc(C#CC[N@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000491161176 332158860 /nfs/dbraw/zinc/15/88/60/332158860.db2.gz JUXFJFLVEBGPKG-OAHLLOKOSA-N 1 1 259.780 3.423 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)[C@@H]2CCc3ccc(F)cc32)n1 ZINC000491240602 332172122 /nfs/dbraw/zinc/17/21/22/332172122.db2.gz BDOFVGAUFDSRKT-GOSISDBHSA-N 1 1 297.377 3.165 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)[C@@H]2CCc3ccc(F)cc32)n1 ZINC000491240602 332172123 /nfs/dbraw/zinc/17/21/23/332172123.db2.gz BDOFVGAUFDSRKT-GOSISDBHSA-N 1 1 297.377 3.165 20 30 CGEDMO C#C[C@H]([NH2+]Cc1c[nH]c2nccnc12)c1ccc(Cl)cc1 ZINC000491543454 332233882 /nfs/dbraw/zinc/23/38/82/332233882.db2.gz GYYJGQKNHITXLJ-AWEZNQCLSA-N 1 1 296.761 3.027 20 30 CGEDMO C#C[C@H]([NH2+]Cc1ccc(OC)c(OC)c1)c1ccc(F)cc1 ZINC000491626401 332250139 /nfs/dbraw/zinc/25/01/39/332250139.db2.gz JRAKIKBGHFMRJL-INIZCTEOSA-N 1 1 299.345 3.307 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1cc(-c2ccncc2)ccc1OC ZINC000491656385 332268276 /nfs/dbraw/zinc/26/82/76/332268276.db2.gz IJJGVORQQHDHBX-AWEZNQCLSA-N 1 1 280.371 3.211 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000491677830 332282616 /nfs/dbraw/zinc/28/26/16/332282616.db2.gz RPUPVTQHTKHSOR-UHFFFAOYSA-N 1 1 278.277 3.175 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1ccc(COC)cc1)c1ccc(F)cc1 ZINC000491690414 332287325 /nfs/dbraw/zinc/28/73/25/332287325.db2.gz MDFSLELBEXLCMD-GOSISDBHSA-N 1 1 283.346 3.436 20 30 CGEDMO CCO[C@H]1C[C@H]([N@@H+](C)CCCC(C)(C)C#N)C1(C)C ZINC000174872425 333009640 /nfs/dbraw/zinc/00/96/40/333009640.db2.gz CSQVKCZJMCGMAQ-KBPBESRZSA-N 1 1 266.429 3.452 20 30 CGEDMO C=C(C)C[N@@H+](CC)[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000152536286 333113399 /nfs/dbraw/zinc/11/33/99/333113399.db2.gz SECGXECXFMRDPP-AWEZNQCLSA-N 1 1 270.380 3.226 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000152536286 333113400 /nfs/dbraw/zinc/11/34/00/333113400.db2.gz SECGXECXFMRDPP-AWEZNQCLSA-N 1 1 270.380 3.226 20 30 CGEDMO C=CC[N@H+](CC[C@H]1CCCO1)Cc1ccccc1F ZINC000188862820 333174803 /nfs/dbraw/zinc/17/48/03/333174803.db2.gz FLVHIDJSUHLMGN-OAHLLOKOSA-N 1 1 263.356 3.383 20 30 CGEDMO C=CCCCCC[NH+]1CCN(C(=O)c2cccs2)CC1 ZINC000193292808 333247305 /nfs/dbraw/zinc/24/73/05/333247305.db2.gz QMVPDSBECRUTFS-UHFFFAOYSA-N 1 1 292.448 3.252 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](O)COc1cccc2ccccc21 ZINC000523010515 333304571 /nfs/dbraw/zinc/30/45/71/333304571.db2.gz IUWIZYZXYZZYSZ-QGZVFWFLSA-N 1 1 299.414 3.478 20 30 CGEDMO C=CCCCCCN(C)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000523519580 333332044 /nfs/dbraw/zinc/33/20/44/333332044.db2.gz RKWPTHIYHQVTAC-JKSUJKDBSA-N 1 1 293.455 3.001 20 30 CGEDMO Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC(CC#N)CC1 ZINC000542880753 333847746 /nfs/dbraw/zinc/84/77/46/333847746.db2.gz GTGVMGLDUHHJMC-OAHLLOKOSA-N 1 1 299.418 3.256 20 30 CGEDMO C=C(CC)C[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000543540547 333879723 /nfs/dbraw/zinc/87/97/23/333879723.db2.gz ADLXQJCJAJUCMD-LLVKDONJSA-N 1 1 275.327 3.493 20 30 CGEDMO C=C(C)CN1CCC([NH2+][C@H](C)c2cn3ccccc3n2)CC1 ZINC000548056386 334137428 /nfs/dbraw/zinc/13/74/28/334137428.db2.gz GEASOUMDRXHIPC-OAHLLOKOSA-N 1 1 298.434 3.025 20 30 CGEDMO C=C(C)CN(CC)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000079279538 334151098 /nfs/dbraw/zinc/15/10/98/334151098.db2.gz POSNCJBYSIDDCQ-UHFFFAOYSA-N 1 1 295.471 3.249 20 30 CGEDMO CCC(CC)([NH2+]CCCCC(C)(C)C#N)C(=O)OC ZINC000549173511 334187242 /nfs/dbraw/zinc/18/72/42/334187242.db2.gz XJMNCMXDSREHDP-UHFFFAOYSA-N 1 1 268.401 3.028 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@@H](Cc2ccc(OC)cc2)C1 ZINC000549465347 334194771 /nfs/dbraw/zinc/19/47/71/334194771.db2.gz RIMNWEZXIRGWAG-KRWDZBQOSA-N 1 1 289.419 3.152 20 30 CGEDMO C=CCOCC[N@H+](C)Cc1ccc(Br)cc1C ZINC000549613770 334199792 /nfs/dbraw/zinc/19/97/92/334199792.db2.gz OJGFQTCUXXSVNA-UHFFFAOYSA-N 1 1 298.224 3.392 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCCO[C@H](C(C)C)C2)cc1 ZINC000552159734 334297026 /nfs/dbraw/zinc/29/70/26/334297026.db2.gz DBJRIXZRLJUBEG-SFHVURJKSA-N 1 1 289.419 3.498 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](CC)[C@H](C)Cc1ccsc1 ZINC000249566247 334336835 /nfs/dbraw/zinc/33/68/35/334336835.db2.gz NBWWGAFBQCXVKU-HIFRSBDPSA-N 1 1 267.438 3.328 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000090615672 334364957 /nfs/dbraw/zinc/36/49/57/334364957.db2.gz XDDBCIQNAOUPEP-HNNXBMFYSA-N 1 1 265.784 3.025 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000568165852 334799062 /nfs/dbraw/zinc/79/90/62/334799062.db2.gz ZGJABNATSLRGFF-HNNXBMFYSA-N 1 1 292.810 3.143 20 30 CGEDMO Cn1cc(C[NH2+]CC2(C#N)CCC2)c(C2CCCCC2)n1 ZINC000568737919 334838232 /nfs/dbraw/zinc/83/82/32/334838232.db2.gz WUXIKHCNQLMGEK-UHFFFAOYSA-N 1 1 286.423 3.251 20 30 CGEDMO C[C@]1(c2ccccc2)CC[N@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000577127375 335305858 /nfs/dbraw/zinc/30/58/58/335305858.db2.gz GLVMJVCJPIHNGS-OIISXLGYSA-N 1 1 254.377 3.342 20 30 CGEDMO CSc1cc(C)ccc1C[NH2+]C[C@@H](C#N)CCC#N ZINC000577690318 335389116 /nfs/dbraw/zinc/38/91/16/335389116.db2.gz LSGRTXLYQJNUOD-CYBMUJFWSA-N 1 1 273.405 3.250 20 30 CGEDMO CC(C)[C@@H]([NH2+]CCCC(C)(C)C#N)C(=O)OC(C)(C)C ZINC000180044157 335544539 /nfs/dbraw/zinc/54/45/39/335544539.db2.gz FRSYLOIKIFCVAO-CYBMUJFWSA-N 1 1 282.428 3.272 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000579310990 335733010 /nfs/dbraw/zinc/73/30/10/335733010.db2.gz BJMTZXKDMOJBBD-INIZCTEOSA-N 1 1 290.370 3.282 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc2c(c1)OCO2 ZINC000182299851 335809163 /nfs/dbraw/zinc/80/91/63/335809163.db2.gz XHZBLFXMWBJLPV-LLVKDONJSA-N 1 1 298.317 3.277 20 30 CGEDMO C=CCCCC[N@H+](C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000581112541 336009894 /nfs/dbraw/zinc/00/98/94/336009894.db2.gz QBGJAJMYWBAVIP-CQSZACIVSA-N 1 1 295.448 3.439 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+][C@H]1CCCOc2c(F)cccc21 ZINC000581127321 336011830 /nfs/dbraw/zinc/01/18/30/336011830.db2.gz ZHDSZNSUNUECQQ-DOMZBBRYSA-N 1 1 287.338 3.073 20 30 CGEDMO C=C(C)CC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000381319113 336059181 /nfs/dbraw/zinc/05/91/81/336059181.db2.gz VOJAOCVRLYDRQI-CEXWTWQISA-N 1 1 284.447 3.453 20 30 CGEDMO CC(C)[N@@H+](C)C[C@H](C)Nc1cc(Cl)ccc1C#N ZINC000381424394 336062537 /nfs/dbraw/zinc/06/25/37/336062537.db2.gz CVALIJSHJPSEBA-NSHDSACASA-N 1 1 265.788 3.352 20 30 CGEDMO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1cn2ccccc2n1 ZINC000581384456 336066334 /nfs/dbraw/zinc/06/63/34/336066334.db2.gz XRZWMDHBFFHPHH-CYBMUJFWSA-N 1 1 276.343 3.057 20 30 CGEDMO CC[N@H+](CCC#N)Cc1cccc(-c2cccnc2)c1 ZINC000127620516 500684550 /nfs/dbraw/zinc/68/45/50/500684550.db2.gz JHCLSPAOAGSLLD-UHFFFAOYSA-N 1 1 265.360 3.484 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1cccc(-c2cccnc2)c1 ZINC000127620516 500684554 /nfs/dbraw/zinc/68/45/54/500684554.db2.gz JHCLSPAOAGSLLD-UHFFFAOYSA-N 1 1 265.360 3.484 20 30 CGEDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000443311515 533859927 /nfs/dbraw/zinc/85/99/27/533859927.db2.gz LJZYAYPULYUSDV-XHBSWPGZSA-N 1 1 292.810 3.193 20 30 CGEDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000443311515 533859934 /nfs/dbraw/zinc/85/99/34/533859934.db2.gz LJZYAYPULYUSDV-XHBSWPGZSA-N 1 1 292.810 3.193 20 30 CGEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1cccc(OCCCC#N)c1 ZINC000346537233 518180182 /nfs/dbraw/zinc/18/01/82/518180182.db2.gz CHLSSQHQWDVFNM-KDOFPFPSSA-N 1 1 299.418 3.264 20 30 CGEDMO Cc1nc2c(cccc2C(=O)NCC[N@@H+]2CC=C(C)CC2)o1 ZINC000329986864 534626310 /nfs/dbraw/zinc/62/63/10/534626310.db2.gz SFOZTJOOMDAOGQ-UHFFFAOYSA-N 1 1 299.374 3.093 20 30 CGEDMO C[N@@H+](CCCOc1cccc(C#N)c1)Cc1ccccc1O ZINC000126986326 522782732 /nfs/dbraw/zinc/78/27/32/522782732.db2.gz ZCLWGZREFHKAPZ-UHFFFAOYSA-N 1 1 296.370 3.165 20 30 CGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)CC1CCCC1 ZINC000069227754 524278473 /nfs/dbraw/zinc/27/84/73/524278473.db2.gz SIBLUJCSMQCIFU-ZDUSSCGKSA-N 1 1 285.391 3.007 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)cc1 ZINC000278963506 526615656 /nfs/dbraw/zinc/61/56/56/526615656.db2.gz ZTBJGMONAAYVOG-ZDUSSCGKSA-N 1 1 268.282 3.333 20 30 CGEDMO C=CCOCCC[N@@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000347969437 526758600 /nfs/dbraw/zinc/75/86/00/526758600.db2.gz LTGHFURGIVOZJG-WBVHZDCISA-N 1 1 275.392 3.041 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC(C)(C)C2)cc1OC ZINC000353616324 526865417 /nfs/dbraw/zinc/86/54/17/526865417.db2.gz ZRGMHUQYCXKZGY-UHFFFAOYSA-N 1 1 275.392 3.492 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](CC)C2)cc1OC ZINC000355080187 526871837 /nfs/dbraw/zinc/87/18/37/526871837.db2.gz MDQMKFIHCLOXAR-AWEZNQCLSA-N 1 1 275.392 3.492 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)c1ncc(Br)cn1 ZINC000347058686 527194549 /nfs/dbraw/zinc/19/45/49/527194549.db2.gz PZEPNBWFUCPDBP-JTQLQIEISA-N 1 1 284.201 3.198 20 30 CGEDMO C=CCCC[N@@H+]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000344516006 527199068 /nfs/dbraw/zinc/19/90/68/527199068.db2.gz NEGXZKZIMSBWMX-INIZCTEOSA-N 1 1 258.409 3.159 20 30 CGEDMO C=CCCC[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000344603618 527199381 /nfs/dbraw/zinc/19/93/81/527199381.db2.gz QTQFOXNMWRXNNQ-UHFFFAOYSA-N 1 1 267.376 3.197 20 30 CGEDMO CC1=CCC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000436260238 528104136 /nfs/dbraw/zinc/10/41/36/528104136.db2.gz LOXGYFFLCAGYRS-UHFFFAOYSA-N 1 1 278.302 3.312 20 30 CGEDMO CC1=CCC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000436260238 528104139 /nfs/dbraw/zinc/10/41/39/528104139.db2.gz LOXGYFFLCAGYRS-UHFFFAOYSA-N 1 1 278.302 3.312 20 30 CGEDMO CCCC[N@@H+](C)CCN[C@H](C)c1ccc(C#N)cc1F ZINC000358567048 528346435 /nfs/dbraw/zinc/34/64/35/528346435.db2.gz IYTPPZCIEZDTCF-CYBMUJFWSA-N 1 1 277.387 3.080 20 30 CGEDMO CCCCN(C)CC[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000358567048 528346439 /nfs/dbraw/zinc/34/64/39/528346439.db2.gz IYTPPZCIEZDTCF-CYBMUJFWSA-N 1 1 277.387 3.080 20 30 CGEDMO CC(C)[N@@H+](CC[C@H]1CCOC1)Cc1ccc(C#N)cc1 ZINC000437574847 528913599 /nfs/dbraw/zinc/91/35/99/528913599.db2.gz DHZUVBPXOPWVAL-KRWDZBQOSA-N 1 1 272.392 3.195 20 30 CGEDMO CC[N@@H+]1CCCC[C@@H]1CN[C@H](C)c1ccc(C#N)cc1F ZINC000358570663 529003853 /nfs/dbraw/zinc/00/38/53/529003853.db2.gz NOBSFAZPBQDPIY-UKRRQHHQSA-N 1 1 289.398 3.222 20 30 CGEDMO CC[N@H+]1CCCC[C@@H]1CN[C@H](C)c1ccc(C#N)cc1F ZINC000358570663 529003856 /nfs/dbraw/zinc/00/38/56/529003856.db2.gz NOBSFAZPBQDPIY-UKRRQHHQSA-N 1 1 289.398 3.222 20 30 CGEDMO CC[N@@H+]1CCCC[C@H]1CN[C@@H](C)c1ccc(C#N)cc1F ZINC000358570664 529015252 /nfs/dbraw/zinc/01/52/52/529015252.db2.gz NOBSFAZPBQDPIY-ZFWWWQNUSA-N 1 1 289.398 3.222 20 30 CGEDMO CC[N@H+]1CCCC[C@H]1CN[C@@H](C)c1ccc(C#N)cc1F ZINC000358570664 529015256 /nfs/dbraw/zinc/01/52/56/529015256.db2.gz NOBSFAZPBQDPIY-ZFWWWQNUSA-N 1 1 289.398 3.222 20 30 CGEDMO CC[C@@H](NC[C@H]([NH3+])c1ccccc1)c1ccc(C#N)cc1 ZINC000423237336 529178613 /nfs/dbraw/zinc/17/86/13/529178613.db2.gz IHMAVFRVUOBFBR-ZWKOTPCHSA-N 1 1 279.387 3.299 20 30 CGEDMO CCC[C@H](C)[C@H]1CCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000486767522 535658260 /nfs/dbraw/zinc/65/82/60/535658260.db2.gz AMXSKYQGJPDUHO-WMLDXEAASA-N 1 1 299.418 3.397 20 30 CGEDMO CC[C@H]1CC[C@@H](C)[N@H+]1CCOc1ccccc1C#N ZINC000124572687 536092422 /nfs/dbraw/zinc/09/24/22/536092422.db2.gz ANDLBCDQCZTUAP-HIFRSBDPSA-N 1 1 258.365 3.200 20 30 CGEDMO COc1ccc(C[N@H+]2C[C@@H](C)CC[C@H]2C)cc1C#N ZINC000088704608 536861908 /nfs/dbraw/zinc/86/19/08/536861908.db2.gz JFLRDSNAXDAVPU-QWHCGFSZSA-N 1 1 258.365 3.187 20 30 CGEDMO Cc1cccc2c1CC[N@@H+](CCOc1ccccc1C#N)C2 ZINC000729479816 571921175 /nfs/dbraw/zinc/92/11/75/571921175.db2.gz FVOFTKFZPRMSNY-UHFFFAOYSA-N 1 1 292.382 3.304 20 30 CGEDMO Cc1cc(F)ccc1[C@@H](O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000746656187 571976256 /nfs/dbraw/zinc/97/62/56/571976256.db2.gz UPWYZVNRSCWQQW-SFHVURJKSA-N 1 1 298.361 3.171 20 30 CGEDMO CC(C)n1ccc(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)n1 ZINC000738440401 572376243 /nfs/dbraw/zinc/37/62/43/572376243.db2.gz SJOUGMSUMSKPDG-AWEZNQCLSA-N 1 1 298.390 3.045 20 30 CGEDMO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(OCC#N)cc2)no1 ZINC000731210193 572400958 /nfs/dbraw/zinc/40/09/58/572400958.db2.gz CBSUZXVODBNABT-KRWDZBQOSA-N 1 1 297.358 3.223 20 30 CGEDMO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(OCC#N)cc2)no1 ZINC000731210193 572400964 /nfs/dbraw/zinc/40/09/64/572400964.db2.gz CBSUZXVODBNABT-KRWDZBQOSA-N 1 1 297.358 3.223 20 30 CGEDMO C[C@@H]([N@@H+](C)Cc1ccc(OCC#N)cc1)C(C)(C)C ZINC000731210420 572402044 /nfs/dbraw/zinc/40/20/44/572402044.db2.gz MDJJQBJLSGFBGB-CYBMUJFWSA-N 1 1 260.381 3.455 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000740874625 572463580 /nfs/dbraw/zinc/46/35/80/572463580.db2.gz WIINCROMTNWESZ-MRXNPFEDSA-N 1 1 292.423 3.331 20 30 CGEDMO C=CCN(Cc1[nH+]cc(C)c(OC)c1C)CC(F)(F)F ZINC000732808011 572484111 /nfs/dbraw/zinc/48/41/11/572484111.db2.gz DAJOISQHTGFFKY-UHFFFAOYSA-N 1 1 288.313 3.257 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@H](O)c1ccccc1C ZINC000741781836 572527036 /nfs/dbraw/zinc/52/70/36/572527036.db2.gz QFDQDXQVXQVEFV-IBGZPJMESA-N 1 1 297.373 3.303 20 30 CGEDMO C=CCCCCC[N@@H+](C)CN1C(=O)C[C@](C)(C(C)C)C1=O ZINC000739883667 572598690 /nfs/dbraw/zinc/59/86/90/572598690.db2.gz CNVRMOWPZWPEDK-QGZVFWFLSA-N 1 1 294.439 3.043 20 30 CGEDMO C=CCCCCC[N@H+](C)CN1C(=O)C[C@](C)(C(C)C)C1=O ZINC000739883667 572598696 /nfs/dbraw/zinc/59/86/96/572598696.db2.gz CNVRMOWPZWPEDK-QGZVFWFLSA-N 1 1 294.439 3.043 20 30 CGEDMO C=CCCC[N@H+](C)CN1C(=O)[C@@H](C)[C@H]1c1ccccc1 ZINC000743363332 572653866 /nfs/dbraw/zinc/65/38/66/572653866.db2.gz FBUOMAHXVNIZQF-HOCLYGCPSA-N 1 1 272.392 3.062 20 30 CGEDMO C=CCCC[N@H+](C)CN1C[C@@H](c2ccccc2C)CC1=O ZINC000736590374 572800599 /nfs/dbraw/zinc/80/05/99/572800599.db2.gz UJBMKXFIGGZOAK-INIZCTEOSA-N 1 1 286.419 3.166 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)Cc1cccc(F)c1 ZINC000746156480 572857689 /nfs/dbraw/zinc/85/76/89/572857689.db2.gz LADYYORUXHNULN-UHFFFAOYSA-N 1 1 253.320 3.461 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1cccc(F)c1 ZINC000746156480 572857692 /nfs/dbraw/zinc/85/76/92/572857692.db2.gz LADYYORUXHNULN-UHFFFAOYSA-N 1 1 253.320 3.461 20 30 CGEDMO CC[N@@H+](C/C=C(/C)C(=O)OC)[C@H](C)c1ccc(C#N)cc1 ZINC000746503489 572875665 /nfs/dbraw/zinc/87/56/65/572875665.db2.gz SHMYMHBGIJNIST-QLKUMGTLSA-N 1 1 286.375 3.060 20 30 CGEDMO C=C(Cl)C[N@@H+](CCOC)[C@H](C)c1ccccc1 ZINC000746659419 572888142 /nfs/dbraw/zinc/88/81/42/572888142.db2.gz PKWMJHCRZCFXOS-CYBMUJFWSA-N 1 1 253.773 3.449 20 30 CGEDMO C=C(Cl)C[N@H+](CCOC)[C@H](C)c1ccccc1 ZINC000746659419 572888146 /nfs/dbraw/zinc/88/81/46/572888146.db2.gz PKWMJHCRZCFXOS-CYBMUJFWSA-N 1 1 253.773 3.449 20 30 CGEDMO CS[C@@H]1CCCC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000749466483 573008453 /nfs/dbraw/zinc/00/84/53/573008453.db2.gz UVBOGZRYJCGDTO-MRXNPFEDSA-N 1 1 290.432 3.306 20 30 CGEDMO CC(=[NH+]OCC(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000749631026 573025602 /nfs/dbraw/zinc/02/56/02/573025602.db2.gz GMYOLSPSHVJIEO-UHFFFAOYSA-N 1 1 294.370 3.059 20 30 CGEDMO C[C@H]1CC(=NN2CC[NH+](C)CC2)C[C@H](c2ccccc2)C1 ZINC000749853293 573047921 /nfs/dbraw/zinc/04/79/21/573047921.db2.gz JIUKGYXKZUDBOS-NVXWUHKLSA-N 1 1 285.435 3.194 20 30 CGEDMO Cc1[nH+]ccn1CCCNc1nc2ccccc2cc1C#N ZINC000750030268 573076113 /nfs/dbraw/zinc/07/61/13/573076113.db2.gz WVSBBKFCGLNQOD-UHFFFAOYSA-N 1 1 291.358 3.114 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[N@H+](CC2CC(C)C2)CC1 ZINC000981741394 613240247 /nfs/dbraw/zinc/24/02/47/613240247.db2.gz ZGSHOOFQBQXBRU-UHFFFAOYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2=CCCC2)C(C)(C)C1 ZINC000940673578 613265358 /nfs/dbraw/zinc/26/53/58/613265358.db2.gz PEEZTBRXTKCDDP-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2)[C@H](C)C1 ZINC000941759729 613267453 /nfs/dbraw/zinc/26/74/53/613267453.db2.gz DUQOMKVTLHVXSG-NVXWUHKLSA-N 1 1 286.419 3.093 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2CC(C)(C)C2)C[C@H]1C ZINC000947278442 613270375 /nfs/dbraw/zinc/27/03/75/613270375.db2.gz ZCQDEGHGFPKJBN-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2CC(C)(C)C2)[C@@H](C)C1 ZINC000942019444 613270391 /nfs/dbraw/zinc/27/03/91/613270391.db2.gz CTOAJEZFDWJWGH-HOCLYGCPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[C@H]2C=CCC2)C(C)(C)C1 ZINC000972795340 613273374 /nfs/dbraw/zinc/27/33/74/613273374.db2.gz AXAPIXGNBMRGIA-JKSUJKDBSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)C)C[C@H]2C1 ZINC000980221768 613276030 /nfs/dbraw/zinc/27/60/30/613276030.db2.gz CHFJRTQDWOWDDM-HRCADAONSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2c(C)cccc2C)C1 ZINC000972410008 613290745 /nfs/dbraw/zinc/29/07/45/613290745.db2.gz PDSDIJZRQLRFMT-INIZCTEOSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC000968744097 613306848 /nfs/dbraw/zinc/30/68/48/613306848.db2.gz DAHFPFASYKFFMY-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)C2(C)CC=CC2)CC1 ZINC000948746279 613313980 /nfs/dbraw/zinc/31/39/80/613313980.db2.gz CIQQESCRTTXOEE-MRXNPFEDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccccc2)CC1 ZINC000948148711 613314032 /nfs/dbraw/zinc/31/40/32/613314032.db2.gz FLPWXIZZTFRXCD-QGZVFWFLSA-N 1 1 286.419 3.189 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2(C)CC2)C1 ZINC000963309753 613315361 /nfs/dbraw/zinc/31/53/61/613315361.db2.gz NSVZCWSVDLPBFF-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)c2occc2C)CC1 ZINC000948192623 613315643 /nfs/dbraw/zinc/31/56/43/613315643.db2.gz UZKNBOIKWXUTAD-HNNXBMFYSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C2CCCCCC2)C1 ZINC000965475870 613323501 /nfs/dbraw/zinc/32/35/01/613323501.db2.gz KNKRTIIYGPNHSK-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cccs2)C(C)(C)C1 ZINC000940550670 613330050 /nfs/dbraw/zinc/33/00/50/613330050.db2.gz OEKQFHRNSCUUPI-CQSZACIVSA-N 1 1 292.448 3.155 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2(F)CCCCC2)C1 ZINC000968507010 613333575 /nfs/dbraw/zinc/33/35/75/613333575.db2.gz YPNDVUWXMCKVIR-LSDHHAIUSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C2(F)CCCC2)C(C)(C)C1 ZINC000940850869 613334687 /nfs/dbraw/zinc/33/46/87/613334687.db2.gz OXKSTHSYXGSRBT-AWEZNQCLSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2C)C[C@@H]1C ZINC000947008855 613336249 /nfs/dbraw/zinc/33/62/49/613336249.db2.gz BVCOENVSZWGUGT-HOTGVXAUSA-N 1 1 286.419 3.154 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccccc3)C[C@H]2C1 ZINC000979485183 613340249 /nfs/dbraw/zinc/34/02/49/613340249.db2.gz QAQRSUODFZEXPM-OKZBNKHCSA-N 1 1 298.430 3.093 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccccc3)C[C@H]2C1 ZINC000979485165 613340385 /nfs/dbraw/zinc/34/03/85/613340385.db2.gz QAQRSUODFZEXPM-BZSNNMDCSA-N 1 1 298.430 3.093 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC2(C)C)C1 ZINC000972112409 613368728 /nfs/dbraw/zinc/36/87/28/613368728.db2.gz QDWKLHHCLLYGHH-ZIAGYGMSSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC2(C)C)C1 ZINC000972112409 613368729 /nfs/dbraw/zinc/36/87/29/613368729.db2.gz QDWKLHHCLLYGHH-ZIAGYGMSSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CCC3CC3)[C@H](C)C2)C1 ZINC000947701496 613401022 /nfs/dbraw/zinc/40/10/22/613401022.db2.gz CJMTYABAGUVUEM-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[N@H+](CC[C@H](C)F)CC2)CC1 ZINC000981886172 613404931 /nfs/dbraw/zinc/40/49/31/613404931.db2.gz YUQLXKVHIPGVDS-HNNXBMFYSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC2(C1)CCC[N@H+](C[C@H](C)CC)C2 ZINC000981932751 613429411 /nfs/dbraw/zinc/42/94/11/613429411.db2.gz DRZUQNBZMPUEIF-OAHLLOKOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC000950353261 613478196 /nfs/dbraw/zinc/47/81/96/613478196.db2.gz NHWAEJJVAIYCLL-GOEBONIOSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)c2coc3ccccc32)C1 ZINC000957459619 613480850 /nfs/dbraw/zinc/48/08/50/613480850.db2.gz UIAYAPWNRXYQCW-UHFFFAOYSA-N 1 1 298.386 3.155 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)c2cc(C)co2)CC1 ZINC000948698188 613499421 /nfs/dbraw/zinc/49/94/21/613499421.db2.gz YSIJWAPTWNUIGJ-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)C2CCCCC2)CC1 ZINC000948155560 613501012 /nfs/dbraw/zinc/50/10/12/613501012.db2.gz IINWHCWBBQDATP-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1C[C@]2(C)C[N@H+](CCC)C[C@]2(C)C1 ZINC000982523159 613504974 /nfs/dbraw/zinc/50/49/74/613504974.db2.gz UMUFXBBFIXYHMX-KURKYZTESA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[NH+]1CCN(C(=O)c2ccc(CCC)s2)CC1 ZINC000948557670 613510392 /nfs/dbraw/zinc/51/03/92/613510392.db2.gz FHHGSKSYXSEVCJ-UHFFFAOYSA-N 1 1 292.448 3.035 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C)s2)[C@@H](C)C1 ZINC000941756255 613523871 /nfs/dbraw/zinc/52/38/71/613523871.db2.gz QFSTVGSARWQERT-GXTWGEPZSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C)C[C@H]1C ZINC000947010567 613524577 /nfs/dbraw/zinc/52/45/77/613524577.db2.gz YIGFNEXOEIRMKF-HZPDHXFCSA-N 1 1 286.419 3.154 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)c2csc(C)c2)[C@@H](C)C1 ZINC000943647773 613527507 /nfs/dbraw/zinc/52/75/07/613527507.db2.gz RENTYYGPOOYUQS-SWLSCSKDSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)C2(C)CCCCC2)[C@H](C)C1 ZINC000942596470 613533693 /nfs/dbraw/zinc/53/36/93/613533693.db2.gz AXRXRSZBGZGMAF-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)C2C(C)(C)C2(C)C)[C@H](C)C1 ZINC000941935590 613533800 /nfs/dbraw/zinc/53/38/00/613533800.db2.gz LAPROPVUQSMTKU-KGLIPLIRSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)/C(C)=C/C)C2)C1 ZINC000961136497 613542494 /nfs/dbraw/zinc/54/24/94/613542494.db2.gz INCPMOMJBRXOON-LKNSVJLYSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)[C@@H](C)C2CCCC2)C(C)(C)C1 ZINC000977452389 613553803 /nfs/dbraw/zinc/55/38/03/613553803.db2.gz SPXDBRVIZBROPY-HOCLYGCPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975024926 613554849 /nfs/dbraw/zinc/55/48/49/613554849.db2.gz HPPKXFLYQBAWFF-GJZGRUSLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2ccc(C)cc2)C(C)(C)C1 ZINC000977509068 613555221 /nfs/dbraw/zinc/55/52/21/613555221.db2.gz HGHAOCDMDNTFSU-INIZCTEOSA-N 1 1 286.419 3.011 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccc(Cl)o2)CC1 ZINC000948192541 613702472 /nfs/dbraw/zinc/70/24/72/613702472.db2.gz SQDDIIZCVFECLP-GFCCVEGCSA-N 1 1 296.798 3.046 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)c2cc(C)oc2C)CC1 ZINC000948176559 613705358 /nfs/dbraw/zinc/70/53/58/613705358.db2.gz AVDSDMFZCONFOL-HNNXBMFYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccoc2CCC)C[C@@H]1C ZINC000947925575 613756658 /nfs/dbraw/zinc/75/66/58/613756658.db2.gz QIQFTLDCMYDTFW-UONOGXRCSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cccc(C3CC3)c2)C(C)(C)C1 ZINC000977651628 613810932 /nfs/dbraw/zinc/81/09/32/613810932.db2.gz PFPKPYHYHNNFMA-QGZVFWFLSA-N 1 1 298.430 3.190 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(COc2ccc(F)cc2)no1 ZINC000900004953 620744365 /nfs/dbraw/zinc/74/43/65/620744365.db2.gz UKVPCYKDFCCLAO-CYBMUJFWSA-N 1 1 291.326 3.144 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(Cc2cccc(F)c2)no1 ZINC000900012673 620743847 /nfs/dbraw/zinc/74/38/47/620743847.db2.gz XIHHDJUXYCECKT-CYBMUJFWSA-N 1 1 275.327 3.156 20 30 CGEDMO C=C(C)c1cccc(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000890890254 617892182 /nfs/dbraw/zinc/89/21/82/617892182.db2.gz NQLDKGOPTJYMPW-ZFWWWQNUSA-N 1 1 272.392 3.389 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc(C)c2)C1 ZINC001021510488 618017257 /nfs/dbraw/zinc/01/72/57/618017257.db2.gz ZJSNSFPWDWGFQZ-ROUUACIJSA-N 1 1 298.430 3.108 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)cs1 ZINC000891404038 618188744 /nfs/dbraw/zinc/18/87/44/618188744.db2.gz BZTGWWLJMIRXQY-AWEZNQCLSA-N 1 1 257.362 3.285 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)cs1 ZINC000891404038 618188750 /nfs/dbraw/zinc/18/87/50/618188750.db2.gz BZTGWWLJMIRXQY-AWEZNQCLSA-N 1 1 257.362 3.285 20 30 CGEDMO C#CC[N@@H+](Cc1cnc(C)cn1)[C@H]1CCCc2ccccc21 ZINC000933421609 618229765 /nfs/dbraw/zinc/22/97/65/618229765.db2.gz IVFSUXMLOICCDX-IBGZPJMESA-N 1 1 291.398 3.298 20 30 CGEDMO C#CC[N@H+](Cc1cnc(C)cn1)[C@H]1CCCc2ccccc21 ZINC000933421609 618229767 /nfs/dbraw/zinc/22/97/67/618229767.db2.gz IVFSUXMLOICCDX-IBGZPJMESA-N 1 1 291.398 3.298 20 30 CGEDMO C=CC[N@@H+](Cc1cn(C)nc1C1CC1)Cc1ccccc1 ZINC000891674245 618245198 /nfs/dbraw/zinc/24/51/98/618245198.db2.gz GLYPAXUPWYZXLQ-UHFFFAOYSA-N 1 1 281.403 3.486 20 30 CGEDMO C=CC[N@H+](Cc1cn(C)nc1C1CC1)Cc1ccccc1 ZINC000891674245 618245199 /nfs/dbraw/zinc/24/51/99/618245199.db2.gz GLYPAXUPWYZXLQ-UHFFFAOYSA-N 1 1 281.403 3.486 20 30 CGEDMO CC(C)CC(N)=[NH+]OCc1coc(-c2cccs2)n1 ZINC000065204371 618450898 /nfs/dbraw/zinc/45/08/98/618450898.db2.gz AOVAKCKRYHUFJE-UHFFFAOYSA-N 1 1 279.365 3.238 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000934469493 618626965 /nfs/dbraw/zinc/62/69/65/618626965.db2.gz DIZAPRODYNFKPA-GOSISDBHSA-N 1 1 298.430 3.463 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1ccc(C)cc1C ZINC000934469604 618626983 /nfs/dbraw/zinc/62/69/83/618626983.db2.gz FTMNIPROADFXBH-GJZGRUSLSA-N 1 1 272.392 3.281 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1ccn(-c2ccc(F)cc2)n1 ZINC000934469642 618627101 /nfs/dbraw/zinc/62/71/01/618627101.db2.gz WYTCTUVCQBUMML-OAHLLOKOSA-N 1 1 271.339 3.162 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1ccn(-c2ccc(F)cc2)n1 ZINC000934469642 618627105 /nfs/dbraw/zinc/62/71/05/618627105.db2.gz WYTCTUVCQBUMML-OAHLLOKOSA-N 1 1 271.339 3.162 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000934835757 618701098 /nfs/dbraw/zinc/70/10/98/618701098.db2.gz WNUVYLFGKYEYSL-OALUTQOASA-N 1 1 298.430 3.239 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[C@H]1C ZINC001017861458 618886835 /nfs/dbraw/zinc/88/68/35/618886835.db2.gz VHXOTPPDEHXSTJ-NCOADZHNSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[C@H]1C ZINC001017861458 618886837 /nfs/dbraw/zinc/88/68/37/618886837.db2.gz VHXOTPPDEHXSTJ-NCOADZHNSA-N 1 1 290.451 3.064 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)ccc1F ZINC000311936598 618953683 /nfs/dbraw/zinc/95/36/83/618953683.db2.gz JOYKXFYQWZXATN-LLVKDONJSA-N 1 1 272.245 3.082 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)ccc1F ZINC000311936598 618953686 /nfs/dbraw/zinc/95/36/86/618953686.db2.gz JOYKXFYQWZXATN-LLVKDONJSA-N 1 1 272.245 3.082 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000775183037 619002918 /nfs/dbraw/zinc/00/29/18/619002918.db2.gz GQIUMAALQBDXSC-SECBINFHSA-N 1 1 259.246 3.298 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cccc(OCC)c1OC(F)F ZINC000775185245 619006540 /nfs/dbraw/zinc/00/65/40/619006540.db2.gz ZUXRTIXLWNJWSE-LLVKDONJSA-N 1 1 283.318 3.140 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1cccc(OCC)c1OC(F)F ZINC000775185245 619006545 /nfs/dbraw/zinc/00/65/45/619006545.db2.gz ZUXRTIXLWNJWSE-LLVKDONJSA-N 1 1 283.318 3.140 20 30 CGEDMO CCCCCCC[N@H+]1CCSC[C@@H]1c1cnn(C)c1 ZINC000191164100 619106848 /nfs/dbraw/zinc/10/68/48/619106848.db2.gz CGSGSBVKJSRYAW-OAHLLOKOSA-N 1 1 281.469 3.480 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1ccnc(OC)c1F ZINC000893422983 619171576 /nfs/dbraw/zinc/17/15/76/619171576.db2.gz WZEFKQODXMMBNB-UHFFFAOYSA-N 1 1 290.338 3.053 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1ccnc(OC)c1F ZINC000893422983 619171578 /nfs/dbraw/zinc/17/15/78/619171578.db2.gz WZEFKQODXMMBNB-UHFFFAOYSA-N 1 1 290.338 3.053 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001009299940 619172848 /nfs/dbraw/zinc/17/28/48/619172848.db2.gz OAKLPSDGKDCJQE-HNNXBMFYSA-N 1 1 292.810 3.110 20 30 CGEDMO C[N@H+](C[C@@H]1CCC[C@H](C(F)(F)F)O1)[C@H]1CCC[C@H]1C#N ZINC000931473556 619178028 /nfs/dbraw/zinc/17/80/28/619178028.db2.gz ABKKUIKGAORCPH-ZDEQEGDKSA-N 1 1 290.329 3.110 20 30 CGEDMO C[N@@H+](C[C@@H]1CCC[C@H](C(F)(F)F)O1)[C@H]1CCC[C@H]1C#N ZINC000931473556 619178031 /nfs/dbraw/zinc/17/80/31/619178031.db2.gz ABKKUIKGAORCPH-ZDEQEGDKSA-N 1 1 290.329 3.110 20 30 CGEDMO CO[C@@H]1CC[C@H](C)[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000931474556 619180218 /nfs/dbraw/zinc/18/02/18/619180218.db2.gz GCEKWAKOFJPIHD-LSDHHAIUSA-N 1 1 264.413 3.350 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+]1CCC[C@@H]1CSC ZINC000093761311 619214651 /nfs/dbraw/zinc/21/46/51/619214651.db2.gz VMNNGJXNYURDFK-OAHLLOKOSA-N 1 1 275.417 3.026 20 30 CGEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1cc(N)ccn1 ZINC000925767477 619228437 /nfs/dbraw/zinc/22/84/37/619228437.db2.gz PPBNZAPJQMVQLP-SFHVURJKSA-N 1 1 292.386 3.093 20 30 CGEDMO C=C1CCC(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)N)CC1 ZINC000925836345 619287680 /nfs/dbraw/zinc/28/76/80/619287680.db2.gz ZRYLRONJPBWWCK-QAPCUYQASA-N 1 1 272.436 3.281 20 30 CGEDMO Cc1n[nH]c(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1C ZINC000894096262 619370727 /nfs/dbraw/zinc/37/07/27/619370727.db2.gz VJLYBQWMXNHVPO-UHFFFAOYSA-N 1 1 292.386 3.188 20 30 CGEDMO Cc1n[nH]c(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1C ZINC000894096262 619370731 /nfs/dbraw/zinc/37/07/31/619370731.db2.gz VJLYBQWMXNHVPO-UHFFFAOYSA-N 1 1 292.386 3.188 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](CC[C@H]1CCCC1(F)F)C1CC1 ZINC000878299785 619423009 /nfs/dbraw/zinc/42/30/09/619423009.db2.gz ZBDNNJCWUJKACP-NWDGAFQWSA-N 1 1 256.340 3.436 20 30 CGEDMO C#CCCC[N@H+]1CCO[C@@H](c2ccc(CC)cc2)C1 ZINC000792361102 619643973 /nfs/dbraw/zinc/64/39/73/619643973.db2.gz KTKFEHGQHISSMX-QGZVFWFLSA-N 1 1 257.377 3.036 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1nccn1C1CC1 ZINC000894964399 619687945 /nfs/dbraw/zinc/68/79/45/619687945.db2.gz OZKJPDBHCTYPCR-KRWDZBQOSA-N 1 1 292.386 3.257 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cc(C)cnc2Cl)C1 ZINC000895101868 619729460 /nfs/dbraw/zinc/72/94/60/619729460.db2.gz QPTBUGQCHZDGLH-ZDUSSCGKSA-N 1 1 262.784 3.279 20 30 CGEDMO CC1(c2ccccc2)C[NH+](Cc2csc(C#N)c2)C1 ZINC000895514192 619840259 /nfs/dbraw/zinc/84/02/59/619840259.db2.gz TZHHZGZAYIMLKK-UHFFFAOYSA-N 1 1 268.385 3.393 20 30 CGEDMO N#CCCCOc1cccc(C[N@@H+]2CC[C@H](CF)C2)c1 ZINC000895573804 619852520 /nfs/dbraw/zinc/85/25/20/619852520.db2.gz MVCLWTNUXYFBPD-OAHLLOKOSA-N 1 1 276.355 3.161 20 30 CGEDMO C=CCC1(O)CC[NH+](Cc2ncc(C(C)(C)C)s2)CC1 ZINC000895834270 619894755 /nfs/dbraw/zinc/89/47/55/619894755.db2.gz JSDFJYJBBQCGAJ-UHFFFAOYSA-N 1 1 294.464 3.344 20 30 CGEDMO CC(C)c1[nH+]ccn1CCNc1ncc(C#N)cc1Cl ZINC000895988562 619922101 /nfs/dbraw/zinc/92/21/01/619922101.db2.gz UBQZADAWEBITPC-UHFFFAOYSA-N 1 1 289.770 3.039 20 30 CGEDMO C[C@@]1(C[N@H+]2CCC[C@@H](C#N)C2)C[C@H]1c1ccccc1 ZINC000896507183 620019671 /nfs/dbraw/zinc/01/96/71/620019671.db2.gz ZCPPLHWFJUUNBD-XIRDDKMYSA-N 1 1 254.377 3.416 20 30 CGEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)c2ccsc2)CC1 ZINC000985241371 620142188 /nfs/dbraw/zinc/14/21/88/620142188.db2.gz GSPGKCIFVSYZFC-UHFFFAOYSA-N 1 1 298.839 3.037 20 30 CGEDMO C[C@H]1[C@@H](C)[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1C ZINC000842165981 620190568 /nfs/dbraw/zinc/19/05/68/620190568.db2.gz HFUBSURNCCRUGS-MGPQQGTHSA-N 1 1 258.365 3.065 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)C[C@@H]2C=CCCC2)CC1 ZINC000985500715 620202023 /nfs/dbraw/zinc/20/20/23/620202023.db2.gz RVHLCRBEKGWBKY-MRXNPFEDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC([N@H+](C)CC(C)C)CC1 ZINC000985571713 620213574 /nfs/dbraw/zinc/21/35/74/620213574.db2.gz QHROODXGMJSYMG-UHFFFAOYSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)C[C@@H]2CC=CCC2)CC1 ZINC000985574437 620214399 /nfs/dbraw/zinc/21/43/99/620214399.db2.gz JQPXOANVHRUFTK-MRXNPFEDSA-N 1 1 290.451 3.232 20 30 CGEDMO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000897942663 620452986 /nfs/dbraw/zinc/45/29/86/620452986.db2.gz QAVWMYYCWLCKQV-NSHDSACASA-N 1 1 263.385 3.390 20 30 CGEDMO C=CC[N@H+]1CCCN(C(=O)c2cc3cc(C)ccc3o2)CC1 ZINC000989738385 620523118 /nfs/dbraw/zinc/52/31/18/620523118.db2.gz AFUYQFDWJCCJJU-UHFFFAOYSA-N 1 1 298.386 3.075 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)c2cc3cc(C)ccc3o2)CC1 ZINC000989738385 620523122 /nfs/dbraw/zinc/52/31/22/620523122.db2.gz AFUYQFDWJCCJJU-UHFFFAOYSA-N 1 1 298.386 3.075 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)C[C@H]2CCCC[C@@H]2C)CC1 ZINC000989772743 620524095 /nfs/dbraw/zinc/52/40/95/620524095.db2.gz ISOFYEJCBAOCIY-DLBZAZTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)C2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000989754614 620524164 /nfs/dbraw/zinc/52/41/64/620524164.db2.gz TXPQOSSCHAIJPH-HZPDHXFCSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)C2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000989754723 620524428 /nfs/dbraw/zinc/52/44/28/620524428.db2.gz YKGFFGLEFHPHJK-HZPDHXFCSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)c3ccccc3)CCC[C@H]12 ZINC000989916308 620531176 /nfs/dbraw/zinc/53/11/76/620531176.db2.gz SFAQBDGPHNZISY-HKUYNNGSSA-N 1 1 298.430 3.380 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)c3cccc(C)c3)CCC[C@@H]12 ZINC000989911827 620531222 /nfs/dbraw/zinc/53/12/22/620531222.db2.gz CAMNCNLSMPNGDW-MJGOQNOKSA-N 1 1 298.430 3.298 20 30 CGEDMO CCCCC[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C(C)C ZINC000042556926 621178205 /nfs/dbraw/zinc/17/82/05/621178205.db2.gz MLKYXGAOFUAKIH-KRWDZBQOSA-N 1 1 274.408 3.492 20 30 CGEDMO Cn1c[nH+]cc1CCCOc1c(Cl)cc(F)cc1C#N ZINC000902568780 621374976 /nfs/dbraw/zinc/37/49/76/621374976.db2.gz BTICINMOKLUVNS-UHFFFAOYSA-N 1 1 293.729 3.096 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000801924377 621391573 /nfs/dbraw/zinc/39/15/73/621391573.db2.gz OHXSPIWBIGTMTJ-CJNGLKHVSA-N 1 1 276.355 3.281 20 30 CGEDMO C=CCCC[N@H+](CC)CN1C(=O)C[C@@H]1c1ccccc1 ZINC000902669017 621395896 /nfs/dbraw/zinc/39/58/96/621395896.db2.gz HJJWQNCLCOJYSB-MRXNPFEDSA-N 1 1 272.392 3.206 20 30 CGEDMO CC[C@H](NCC[N@H+](CC)C1CC1)c1cccc(C#N)c1 ZINC000902786003 621432353 /nfs/dbraw/zinc/43/23/53/621432353.db2.gz KSOYKCXSWBIZDD-KRWDZBQOSA-N 1 1 271.408 3.083 20 30 CGEDMO CC[C@H](NCC[N@@H+](CC)C1CC1)c1cccc(C#N)c1 ZINC000902786003 621432358 /nfs/dbraw/zinc/43/23/58/621432358.db2.gz KSOYKCXSWBIZDD-KRWDZBQOSA-N 1 1 271.408 3.083 20 30 CGEDMO CC(C)n1cc([C@@H](C)[NH2+][C@H](C)c2cc(C#N)ccn2)cn1 ZINC000902801853 621441169 /nfs/dbraw/zinc/44/11/69/621441169.db2.gz FYGXKQHJDLLYIF-CHWSQXEVSA-N 1 1 283.379 3.142 20 30 CGEDMO CC[C@@H]([NH2+]Cc1cc(C)no1)c1cccc(C#N)c1 ZINC000902794725 621451040 /nfs/dbraw/zinc/45/10/40/621451040.db2.gz YMJVVJSTQPKPBR-OAHLLOKOSA-N 1 1 255.321 3.096 20 30 CGEDMO COc1ccc([C@@H]([NH2+]CC(C)(C)C#N)C2CC2)c(F)c1 ZINC000903101353 621575029 /nfs/dbraw/zinc/57/50/29/621575029.db2.gz FVPFFLWBDOTZKD-HNNXBMFYSA-N 1 1 276.355 3.425 20 30 CGEDMO N#CC1(C[NH2+][C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000903102357 621576049 /nfs/dbraw/zinc/57/60/49/621576049.db2.gz WXJRONYDVWXPDA-GFCCVEGCSA-N 1 1 262.353 3.256 20 30 CGEDMO N#CC1(C[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000903105226 621578731 /nfs/dbraw/zinc/57/87/31/621578731.db2.gz AWZRAMSQDFWVGA-INIZCTEOSA-N 1 1 292.386 3.143 20 30 CGEDMO N#CC1(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000903106837 621579242 /nfs/dbraw/zinc/57/92/42/621579242.db2.gz WQCCIAMDIKZFOF-BCDXTJNWSA-N 1 1 295.430 3.075 20 30 CGEDMO C[C@H](Nc1cccc(C2CC2)[nH+]1)c1cc(C#N)ccn1 ZINC000903268744 621655399 /nfs/dbraw/zinc/65/53/99/621655399.db2.gz TWTGBHPEWDVNMQ-NSHDSACASA-N 1 1 264.332 3.399 20 30 CGEDMO C[C@@H]1C[C@@H](Nc2ccc(CCC#N)cc2)CC[N@H+]1C ZINC000903298173 621666750 /nfs/dbraw/zinc/66/67/50/621666750.db2.gz OZEBZPKGFZDQMW-CJNGLKHVSA-N 1 1 257.381 3.037 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000903446245 621758858 /nfs/dbraw/zinc/75/88/58/621758858.db2.gz UYOWCTUSNNCAKE-HKUYNNGSSA-N 1 1 297.446 3.139 20 30 CGEDMO CCCCCCCC[C@@H]([NH3+])c1nc(-c2ccon2)no1 ZINC000904627965 621947344 /nfs/dbraw/zinc/94/73/44/621947344.db2.gz LHDRMLZTATWMEN-LLVKDONJSA-N 1 1 278.356 3.475 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2cccc3[nH]c(C)nc32)no1 ZINC000904711442 621960322 /nfs/dbraw/zinc/96/03/22/621960322.db2.gz CMWIWSXZPPGSJN-GFCCVEGCSA-N 1 1 297.362 3.277 20 30 CGEDMO C#CC[NH2+]CC(=O)Nc1cccc(Cl)c1SC(C)C ZINC000912256929 622620799 /nfs/dbraw/zinc/62/07/99/622620799.db2.gz FPIDXNHQALUDSF-UHFFFAOYSA-N 1 1 296.823 3.002 20 30 CGEDMO C=CCc1cc(C[N@H+](CC)C2CC2)c(O)c(OC)c1 ZINC000163886077 622804936 /nfs/dbraw/zinc/80/49/36/622804936.db2.gz OBDOOIWXEOKDFB-UHFFFAOYSA-N 1 1 261.365 3.114 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@H+]1C[C@@H](C)[C@H]1C ZINC000816646296 625596746 /nfs/dbraw/zinc/59/67/46/625596746.db2.gz BIESCFKRWHVILA-VXGBXAGGSA-N 1 1 263.768 3.192 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1C[C@@H](C)[C@H]1C ZINC000816646296 625596757 /nfs/dbraw/zinc/59/67/57/625596757.db2.gz BIESCFKRWHVILA-VXGBXAGGSA-N 1 1 263.768 3.192 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@H+](CC)C[C@@H](C)C#N)c1O ZINC000164225169 622820633 /nfs/dbraw/zinc/82/06/33/622820633.db2.gz RUYLAZBFICEQLG-ZDUSSCGKSA-N 1 1 288.391 3.111 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@@H+](CC)C[C@@H](C)C#N)c1O ZINC000164225169 622820636 /nfs/dbraw/zinc/82/06/36/622820636.db2.gz RUYLAZBFICEQLG-ZDUSSCGKSA-N 1 1 288.391 3.111 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000156763078 622842378 /nfs/dbraw/zinc/84/23/78/622842378.db2.gz CYGLQNKNUNFSGK-CABCVRRESA-N 1 1 294.439 3.025 20 30 CGEDMO CCCCCCCCCC[N@@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000157338796 622897370 /nfs/dbraw/zinc/89/73/70/622897370.db2.gz IEXCUYVBQCSEOW-HNNXBMFYSA-N 1 1 289.485 3.246 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3CCC)CCC[C@@H]12 ZINC000992186565 623466725 /nfs/dbraw/zinc/46/67/25/623466725.db2.gz IBMWGADZXFYKIA-YFHUEUNASA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3CCC)CCC[C@H]12 ZINC000992196884 623470686 /nfs/dbraw/zinc/47/06/86/623470686.db2.gz ZYQPZPDILCYJJM-XLMAVXFVSA-N 1 1 290.451 3.112 20 30 CGEDMO CC(=[NH+]NC1CCCCC1)c1cc(F)c(N)c(F)c1 ZINC000814908569 623523582 /nfs/dbraw/zinc/52/35/82/623523582.db2.gz COFFMLKQEXADFQ-UHFFFAOYSA-N 1 1 267.323 3.193 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)c3ccc(C)cc3)CCC[C@H]12 ZINC000992417597 623551400 /nfs/dbraw/zinc/55/14/00/623551400.db2.gz ABZCPJKKAJWDIN-PKOBYXMFSA-N 1 1 298.430 3.298 20 30 CGEDMO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1CC1CCC(C#N)CC1 ZINC000929790083 623647189 /nfs/dbraw/zinc/64/71/89/623647189.db2.gz HVGPIDJPYGNBSW-YMAMQOFZSA-N 1 1 292.423 3.122 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C2CCCCC2)[C@@H]1C ZINC000992988091 623773199 /nfs/dbraw/zinc/77/31/99/623773199.db2.gz UYEKKKKLYBKKIR-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccoc2C)[C@H]1C ZINC000993031983 623798907 /nfs/dbraw/zinc/79/89/07/623798907.db2.gz HDWFZRFFVKCNGL-CZUORRHYSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCON=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000835013171 623856489 /nfs/dbraw/zinc/85/64/89/623856489.db2.gz KJKCSVBMUZKJLM-CALCHBBNSA-N 1 1 270.376 3.372 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccoc2CC)[C@@H]1C ZINC000993271834 623997772 /nfs/dbraw/zinc/99/77/72/623997772.db2.gz XNPHIFGNHPQZMJ-DZGCQCFKSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CC)[C@H]1C ZINC000993699724 624058891 /nfs/dbraw/zinc/05/88/91/624058891.db2.gz AEASWDZTKMPAFM-RHSMWYFYSA-N 1 1 286.419 3.018 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CC2CC(C)(C)C2)[C@@H]1C ZINC000993748080 624060059 /nfs/dbraw/zinc/06/00/59/624060059.db2.gz SXXBJHVPQNPAKD-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CCC[N@H+](CC(C)C)[C@H]2C)CC1 ZINC000993746173 624060836 /nfs/dbraw/zinc/06/08/36/624060836.db2.gz AHMKVOYIWIAYGW-RDJZCZTQSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C2CCC(=C)CC2)[C@@H]1C ZINC000993740478 624060898 /nfs/dbraw/zinc/06/08/98/624060898.db2.gz ITHFNSOYYYUBQO-RDJZCZTQSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccsc2Cl)[C@H]1C ZINC000993945298 624067262 /nfs/dbraw/zinc/06/72/62/624067262.db2.gz XXIJABXOYGCASY-PWSUYJOCSA-N 1 1 298.839 3.170 20 30 CGEDMO C[NH+]1CCN(N=CC(c2ccccc2)c2ccccc2)CC1 ZINC000916248820 624131942 /nfs/dbraw/zinc/13/19/42/624131942.db2.gz JZUFMWZDZUPRKS-UHFFFAOYSA-N 1 1 293.414 3.052 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C)c(C)c2)[C@@H]1C ZINC000994352993 624205096 /nfs/dbraw/zinc/20/50/96/624205096.db2.gz OWMDZVMGVNRIMR-RDJZCZTQSA-N 1 1 286.419 3.072 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC)cc2)[C@@H]1C ZINC000994349851 624205426 /nfs/dbraw/zinc/20/54/26/624205426.db2.gz KDCSJRGURSUJSV-YOEHRIQHSA-N 1 1 286.419 3.018 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccoc2C(C)C)[C@H]1C ZINC000994487829 624241440 /nfs/dbraw/zinc/24/14/40/624241440.db2.gz PNMUFWYAEOJJSE-UKRRQHHQSA-N 1 1 290.407 3.172 20 30 CGEDMO CC[C@@H](c1ccccc1)[N@@H+](CC(C)C)C[C@H](O)CC#N ZINC000929977716 624268925 /nfs/dbraw/zinc/26/89/25/624268925.db2.gz ISDCLDNRWXMYHH-SJORKVTESA-N 1 1 274.408 3.370 20 30 CGEDMO C=CCN(C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)C(C)C ZINC000919796089 624424471 /nfs/dbraw/zinc/42/44/71/624424471.db2.gz FDEYQWDDNNFYMH-HNNXBMFYSA-N 1 1 295.471 3.103 20 30 CGEDMO C#CCC[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000920418134 624492335 /nfs/dbraw/zinc/49/23/35/624492335.db2.gz UQRYPCJMNKLVNC-ZDUSSCGKSA-N 1 1 270.401 3.499 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000181300526 624842373 /nfs/dbraw/zinc/84/23/73/624842373.db2.gz FNAQKGIWRDWBEN-UHFFFAOYSA-N 1 1 271.360 3.418 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000182631294 625022680 /nfs/dbraw/zinc/02/26/80/625022680.db2.gz LUSLSWPAEFZXJP-UHFFFAOYSA-N 1 1 263.381 3.403 20 30 CGEDMO Cc1cc(C[N@H+](C)CCCCC2(C#N)CCC2)no1 ZINC000929258176 625941083 /nfs/dbraw/zinc/94/10/83/625941083.db2.gz VOOCNLXTDRDZNL-UHFFFAOYSA-N 1 1 261.369 3.279 20 30 CGEDMO Cc1cc(C[N@@H+](C)CCCCC2(C#N)CCC2)no1 ZINC000929258176 625941085 /nfs/dbraw/zinc/94/10/85/625941085.db2.gz VOOCNLXTDRDZNL-UHFFFAOYSA-N 1 1 261.369 3.279 20 30 CGEDMO COCC[C@@H]([NH2+]Cc1csc(C#N)c1)c1ccco1 ZINC000921980259 625950483 /nfs/dbraw/zinc/95/04/83/625950483.db2.gz LLVHGIVWPDVOPM-CYBMUJFWSA-N 1 1 276.361 3.080 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cncc(C#N)c2)[C@@H]2CCCC[C@@H]12 ZINC000929259533 625955206 /nfs/dbraw/zinc/95/52/06/625955206.db2.gz GAAMXJDOVGLWTO-XOKHGSTOSA-N 1 1 269.392 3.354 20 30 CGEDMO C=CCOc1cccc(C[NH2+][C@H](c2ncccn2)C2CC2)c1 ZINC000922583803 626016133 /nfs/dbraw/zinc/01/61/33/626016133.db2.gz WQNYUNUJGQWVCE-KRWDZBQOSA-N 1 1 295.386 3.282 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](F)CC)CC1 ZINC001004498909 626064440 /nfs/dbraw/zinc/06/44/40/626064440.db2.gz JDDBHTNWSZGRCP-HOTGVXAUSA-N 1 1 296.430 3.014 20 30 CGEDMO CCc1nc(C[N@@H+](C)CC2CCC(C#N)CC2)cs1 ZINC000929341776 626096758 /nfs/dbraw/zinc/09/67/58/626096758.db2.gz BHPUQOCUGAYNIV-UHFFFAOYSA-N 1 1 277.437 3.467 20 30 CGEDMO COc1ccc(N=NC2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000750923168 626368914 /nfs/dbraw/zinc/36/89/14/626368914.db2.gz UUVMILQDZLSDCY-UHFFFAOYSA-N 1 1 295.386 3.369 20 30 CGEDMO C[C@@H]1C[N@@H+](C)CC1N=Nc1nc(-c2ccccc2)cs1 ZINC000752163438 626420341 /nfs/dbraw/zinc/42/03/41/626420341.db2.gz WJJUICOBWNXYHH-LLVKDONJSA-N 1 1 286.404 3.160 20 30 CGEDMO C[C@H](C#N)C[NH2+]Cc1c(-c2ccccc2)nc2sccn12 ZINC000752266030 626423422 /nfs/dbraw/zinc/42/34/22/626423422.db2.gz USALBBSDQXQNGP-GFCCVEGCSA-N 1 1 296.399 3.312 20 30 CGEDMO C#CCC[N@H+]1C[C@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000752858606 626441038 /nfs/dbraw/zinc/44/10/38/626441038.db2.gz WOHNRHXZIQOYTJ-DOTOQJQBSA-N 1 1 257.377 3.089 20 30 CGEDMO C#CCC[N@@H+]1C[C@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000752858606 626441040 /nfs/dbraw/zinc/44/10/40/626441040.db2.gz WOHNRHXZIQOYTJ-DOTOQJQBSA-N 1 1 257.377 3.089 20 30 CGEDMO C[C@H]1CC(N=Nc2ccc(C(F)(F)F)cn2)C[N@H+]1C1CC1 ZINC000753956281 626470107 /nfs/dbraw/zinc/47/01/07/626470107.db2.gz WDEDZQHBASMRFN-VIFPVBQESA-N 1 1 298.312 3.125 20 30 CGEDMO C#CC[N@H+](CC[C@H]1CCCCO1)Cc1ccc(F)cc1 ZINC000754018091 626472273 /nfs/dbraw/zinc/47/22/73/626472273.db2.gz FXKYXZJICFGINL-QGZVFWFLSA-N 1 1 275.367 3.220 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(OC)nc1)[C@@H]1CCc2ccccc21 ZINC000754637087 626580376 /nfs/dbraw/zinc/58/03/76/626580376.db2.gz ARDQJHSIMMTASO-GOSISDBHSA-N 1 1 292.382 3.213 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OC)nc1)[C@@H]1CCc2ccccc21 ZINC000754637087 626580377 /nfs/dbraw/zinc/58/03/77/626580377.db2.gz ARDQJHSIMMTASO-GOSISDBHSA-N 1 1 292.382 3.213 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@H+]2C[C@H](C)C[C@H]2C)c1O ZINC000754741329 626585867 /nfs/dbraw/zinc/58/58/67/626585867.db2.gz LGCHAEFJWHRWGR-CHWSQXEVSA-N 1 1 275.392 3.360 20 30 CGEDMO CCCCCCCCNC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000755074944 626599548 /nfs/dbraw/zinc/59/95/48/626599548.db2.gz IASXMTJNEJERKZ-INIZCTEOSA-N 1 1 295.471 3.225 20 30 CGEDMO C#CCC[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000755195717 626606405 /nfs/dbraw/zinc/60/64/05/626606405.db2.gz QEXNKFIAZYVJJU-UHFFFAOYSA-N 1 1 270.145 3.043 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@@H+]2CC=C(C)CC2)c1O ZINC000755768927 626644539 /nfs/dbraw/zinc/64/45/39/626644539.db2.gz RLAHVOSLGCACKX-UHFFFAOYSA-N 1 1 273.376 3.281 20 30 CGEDMO C[N@H+]1CCCC(N=Nc2nccc3sccc32)CC1 ZINC000758105405 626827733 /nfs/dbraw/zinc/82/77/33/626827733.db2.gz BKXBHRQUVJHLSB-UHFFFAOYSA-N 1 1 274.393 3.180 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(F)c(C#N)c1 ZINC000758696568 626855243 /nfs/dbraw/zinc/85/52/43/626855243.db2.gz GINHJZUHSGMYFK-UHFFFAOYSA-N 1 1 296.320 3.472 20 30 CGEDMO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccc(F)c(C#N)c1 ZINC000758696568 626855245 /nfs/dbraw/zinc/85/52/45/626855245.db2.gz GINHJZUHSGMYFK-UHFFFAOYSA-N 1 1 296.320 3.472 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759868279 626928576 /nfs/dbraw/zinc/92/85/76/626928576.db2.gz UOKTTWZHAYKFPB-CYBMUJFWSA-N 1 1 257.736 3.020 20 30 CGEDMO C#CCC[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000760821149 626993938 /nfs/dbraw/zinc/99/39/38/626993938.db2.gz PDYAAPUYOZPUDM-DLBZAZTESA-N 1 1 257.377 3.109 20 30 CGEDMO C#CCC[N@H+](CC)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000760827674 626995119 /nfs/dbraw/zinc/99/51/19/626995119.db2.gz LZZZGYXSJMUQPS-AEFFLSMTSA-N 1 1 270.420 3.167 20 30 CGEDMO C#CCCN(CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000760827674 626995122 /nfs/dbraw/zinc/99/51/22/626995122.db2.gz LZZZGYXSJMUQPS-AEFFLSMTSA-N 1 1 270.420 3.167 20 30 CGEDMO C#CCCN(CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000760827674 626995126 /nfs/dbraw/zinc/99/51/26/626995126.db2.gz LZZZGYXSJMUQPS-AEFFLSMTSA-N 1 1 270.420 3.167 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](CCc1ccccc1)C1CC1 ZINC000760828180 626995276 /nfs/dbraw/zinc/99/52/76/626995276.db2.gz GVQIVOPGUJXTIL-KRWDZBQOSA-N 1 1 259.393 3.021 20 30 CGEDMO C#CCC[N@H+](Cc1ccc(OC)cc1OC)C(C)(C)C ZINC000760847751 626996434 /nfs/dbraw/zinc/99/64/34/626996434.db2.gz QKMZQGAWTNRGOZ-UHFFFAOYSA-N 1 1 275.392 3.328 20 30 CGEDMO C#CCC[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000760845844 626996468 /nfs/dbraw/zinc/99/64/68/626996468.db2.gz DCGYMWUIYJLHLT-UHFFFAOYSA-N 1 1 257.255 3.040 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000760965442 627006374 /nfs/dbraw/zinc/00/63/74/627006374.db2.gz NRTJWRHMXOWGGW-AWEZNQCLSA-N 1 1 264.417 3.263 20 30 CGEDMO CCCCCCC[N@@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000760965442 627006379 /nfs/dbraw/zinc/00/63/79/627006379.db2.gz NRTJWRHMXOWGGW-AWEZNQCLSA-N 1 1 264.417 3.263 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000760965442 627006383 /nfs/dbraw/zinc/00/63/83/627006383.db2.gz NRTJWRHMXOWGGW-AWEZNQCLSA-N 1 1 264.417 3.263 20 30 CGEDMO CCCCCCC[N@@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000760965442 627006388 /nfs/dbraw/zinc/00/63/88/627006388.db2.gz NRTJWRHMXOWGGW-AWEZNQCLSA-N 1 1 264.417 3.263 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000760965442 627006393 /nfs/dbraw/zinc/00/63/93/627006393.db2.gz NRTJWRHMXOWGGW-AWEZNQCLSA-N 1 1 264.417 3.263 20 30 CGEDMO C#CCOCC[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000761109158 627017414 /nfs/dbraw/zinc/01/74/14/627017414.db2.gz NWAARYXYIUAFER-UHFFFAOYSA-N 1 1 272.175 3.075 20 30 CGEDMO COc1ccc(C[NH2+]Cc2c(F)cccc2F)cc1C#N ZINC000761973419 627076450 /nfs/dbraw/zinc/07/64/50/627076450.db2.gz MAKSBTQIMORRMX-UHFFFAOYSA-N 1 1 288.297 3.135 20 30 CGEDMO C#CCCc1noc([C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000762010179 627080594 /nfs/dbraw/zinc/08/05/94/627080594.db2.gz GTAZFEPLPMHCDV-INIZCTEOSA-N 1 1 295.386 3.015 20 30 CGEDMO N#Cc1ccc([C@H](O)C[N@@H+](C2CC2)C2CCCCC2)cc1 ZINC000763397498 627155966 /nfs/dbraw/zinc/15/59/66/627155966.db2.gz SDXRWQDUBWEPRH-GOSISDBHSA-N 1 1 284.403 3.389 20 30 CGEDMO C[C@@H]1c2ccccc2C[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000763411791 627157057 /nfs/dbraw/zinc/15/70/57/627157057.db2.gz BSGYQRVTSYMLCB-ACJLOTCBSA-N 1 1 278.355 3.168 20 30 CGEDMO CC[C@H](C)C[N@H+](CC)[C@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000764282862 627202800 /nfs/dbraw/zinc/20/28/00/627202800.db2.gz JNRCXOCQWXXQLI-BBRMVZONSA-N 1 1 288.391 3.140 20 30 CGEDMO CC[C@H](C)C[N@@H+](CC)[C@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000764282862 627202803 /nfs/dbraw/zinc/20/28/03/627202803.db2.gz JNRCXOCQWXXQLI-BBRMVZONSA-N 1 1 288.391 3.140 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(-c2ccncc2)cc1F)C1CC1 ZINC000764678032 627217902 /nfs/dbraw/zinc/21/79/02/627217902.db2.gz ZKOREAQBDMAMTO-UHFFFAOYSA-N 1 1 280.346 3.485 20 30 CGEDMO C#CC[N@H+](Cc1ccc(-c2ccncc2)cc1F)C1CC1 ZINC000764678032 627217904 /nfs/dbraw/zinc/21/79/04/627217904.db2.gz ZKOREAQBDMAMTO-UHFFFAOYSA-N 1 1 280.346 3.485 20 30 CGEDMO Cc1c(Cl)cccc1N[NH+]=Cc1cccnc1N ZINC000764682357 627218349 /nfs/dbraw/zinc/21/83/49/627218349.db2.gz LPPAAVSAJMSZBV-UHFFFAOYSA-N 1 1 260.728 3.072 20 30 CGEDMO C#CC[N@@H+](Cc1cn(C)nc1C1CCCCC1)C1CC1 ZINC000764684274 627218511 /nfs/dbraw/zinc/21/85/11/627218511.db2.gz VWIDGDYYJCVTSY-UHFFFAOYSA-N 1 1 271.408 3.065 20 30 CGEDMO C#CC[N@H+](Cc1cn(C)nc1C1CCCCC1)C1CC1 ZINC000764684274 627218513 /nfs/dbraw/zinc/21/85/13/627218513.db2.gz VWIDGDYYJCVTSY-UHFFFAOYSA-N 1 1 271.408 3.065 20 30 CGEDMO FC(F)(F)c1ccc(CON=C2CC[N@H+]3CCC[C@H]23)cc1 ZINC000765584512 627261004 /nfs/dbraw/zinc/26/10/04/627261004.db2.gz PADORZSQNHFUMT-CQSZACIVSA-N 1 1 298.308 3.446 20 30 CGEDMO C(=NNc1cc[nH+]cc1)c1ccc(Sc2ccccn2)o1 ZINC000766456004 627333352 /nfs/dbraw/zinc/33/33/52/627333352.db2.gz XAMVBWMDRZVFBN-UHFFFAOYSA-N 1 1 296.355 3.089 20 30 CGEDMO C#CCCC[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000766895410 627367608 /nfs/dbraw/zinc/36/76/08/627367608.db2.gz KUQMSJOXDZLCED-HUUCEWRRSA-N 1 1 298.213 3.297 20 30 CGEDMO C#CCCC[N@@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000766904131 627369421 /nfs/dbraw/zinc/36/94/21/627369421.db2.gz WUVFMFUHGZOBNM-WMZOPIPTSA-N 1 1 271.404 3.479 20 30 CGEDMO C#CCCC[N@H+](CCC)CC(=O)Nc1ccc(Cl)cc1 ZINC000766916741 627370203 /nfs/dbraw/zinc/37/02/03/627370203.db2.gz DEABFUCRVNZUOZ-UHFFFAOYSA-N 1 1 292.810 3.404 20 30 CGEDMO C#C[C@@H](CC)OC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000768041624 627451899 /nfs/dbraw/zinc/45/18/99/627451899.db2.gz MLQGYFSKXFOOFG-JKSUJKDBSA-N 1 1 273.376 3.025 20 30 CGEDMO CC(C)C[N@H+](CCC#N)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000768153554 627463543 /nfs/dbraw/zinc/46/35/43/627463543.db2.gz HQRSTIPENTUPHX-HNNXBMFYSA-N 1 1 285.391 3.349 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000768153554 627463545 /nfs/dbraw/zinc/46/35/45/627463545.db2.gz HQRSTIPENTUPHX-HNNXBMFYSA-N 1 1 285.391 3.349 20 30 CGEDMO CC(=O)Nc1ccc(C[N@@H+](CCC#N)CC(C)C)cc1 ZINC000768155216 627464446 /nfs/dbraw/zinc/46/44/46/627464446.db2.gz VTWMAQHSQPJINA-UHFFFAOYSA-N 1 1 273.380 3.017 20 30 CGEDMO CC(=O)Nc1ccc(C[N@H+](CCC#N)CC(C)C)cc1 ZINC000768155216 627464448 /nfs/dbraw/zinc/46/44/48/627464448.db2.gz VTWMAQHSQPJINA-UHFFFAOYSA-N 1 1 273.380 3.017 20 30 CGEDMO C[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)CC(C)(C)CCC#N ZINC000768160712 627464501 /nfs/dbraw/zinc/46/45/01/627464501.db2.gz GNCIKDVVCNHKRW-UHFFFAOYSA-N 1 1 298.390 3.097 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)CCc1ccc(F)c(F)c1 ZINC000768530519 627484727 /nfs/dbraw/zinc/48/47/27/627484727.db2.gz NRELXYKLCUGXAV-UHFFFAOYSA-N 1 1 266.335 3.379 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(N(C)C)c(F)c1)C(C)C ZINC000768547844 627485847 /nfs/dbraw/zinc/48/58/47/627485847.db2.gz RUEYSFQARQTTOG-UHFFFAOYSA-N 1 1 250.361 3.288 20 30 CGEDMO CC[N@@H+](CCc1ccccn1)Cc1cc(C#N)cs1 ZINC000769039338 627519678 /nfs/dbraw/zinc/51/96/78/627519678.db2.gz VISCLBGUPNWHID-UHFFFAOYSA-N 1 1 271.389 3.079 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000769110799 627523198 /nfs/dbraw/zinc/52/31/98/627523198.db2.gz ILRYDMJBNKWMPD-UHFFFAOYSA-N 1 1 284.315 3.310 20 30 CGEDMO C#CC[N@H+](Cc1cnc2ccc(C)cn12)C1CCCCC1 ZINC000769145101 627525219 /nfs/dbraw/zinc/52/52/19/627525219.db2.gz BJNQWGWRTKASJT-UHFFFAOYSA-N 1 1 281.403 3.411 20 30 CGEDMO Cc1cccc2c1CC[N@H+](Cc1ccc(C#N)s1)C2 ZINC000769340789 627544345 /nfs/dbraw/zinc/54/43/45/627544345.db2.gz XVYQXBILYHZEIL-UHFFFAOYSA-N 1 1 268.385 3.487 20 30 CGEDMO Cc1cccc2c1CC[N@@H+](Cc1ccc(C#N)s1)C2 ZINC000769340789 627544348 /nfs/dbraw/zinc/54/43/48/627544348.db2.gz XVYQXBILYHZEIL-UHFFFAOYSA-N 1 1 268.385 3.487 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)CCOC(C)(C)C)cc1 ZINC000769514044 627561938 /nfs/dbraw/zinc/56/19/38/627561938.db2.gz FGHXRFJCDOMJAS-CQSZACIVSA-N 1 1 290.407 3.224 20 30 CGEDMO C#CC[N@H+](Cc1cnc(N(CC)CC)s1)C1CCCC1 ZINC000769530995 627562988 /nfs/dbraw/zinc/56/29/88/627562988.db2.gz QCCUNCFLVOCWHO-UHFFFAOYSA-N 1 1 291.464 3.367 20 30 CGEDMO C#CC[N@H+](C[C@H](C)Cc1ccc(OC)c(F)c1)C1CC1 ZINC000769559234 627566199 /nfs/dbraw/zinc/56/61/99/627566199.db2.gz VHMHHMOOLVOICO-CYBMUJFWSA-N 1 1 275.367 3.111 20 30 CGEDMO C=CC[C@@H]1[N@@H+](C/C=C(/C)C(=O)OC)CCCC1(C)C ZINC000769953163 627592096 /nfs/dbraw/zinc/59/20/96/627592096.db2.gz JAACGSUXIKIVMP-XXYUJHKVSA-N 1 1 265.397 3.172 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000769977593 627594472 /nfs/dbraw/zinc/59/44/72/627594472.db2.gz MFYFRVOGZWVYAY-CYBMUJFWSA-N 1 1 288.391 3.487 20 30 CGEDMO C=C(Br)C[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000125144413 634599624 /nfs/dbraw/zinc/59/96/24/634599624.db2.gz VYYFEKRLHYNALF-JTQLQIEISA-N 1 1 272.190 3.023 20 30 CGEDMO C=C(CC)COC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000773518372 627893437 /nfs/dbraw/zinc/89/34/37/627893437.db2.gz JYMAJFDXMNFYKZ-MRXNPFEDSA-N 1 1 273.376 3.160 20 30 CGEDMO C=C(CC)COC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000773518372 627893440 /nfs/dbraw/zinc/89/34/40/627893440.db2.gz JYMAJFDXMNFYKZ-MRXNPFEDSA-N 1 1 273.376 3.160 20 30 CGEDMO CCC[N@H+]1CC[C@H](CNc2nc3ccccc3cc2C#N)C1 ZINC000774519290 627999934 /nfs/dbraw/zinc/99/99/34/627999934.db2.gz XCZOMQJFQFWJPA-CQSZACIVSA-N 1 1 294.402 3.250 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000775184031 628070689 /nfs/dbraw/zinc/07/06/89/628070689.db2.gz SQGUFYXLXMALPD-SNVBAGLBSA-N 1 1 289.272 3.220 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)CCCCC1 ZINC000874826435 634627503 /nfs/dbraw/zinc/62/75/03/634627503.db2.gz OBSCJMGYFGNARJ-CVEARBPZSA-N 1 1 290.451 3.208 20 30 CGEDMO C#C[C@H]([NH2+]Cc1cnc(C2CCCC2)s1)[C@@H]1CCCO1 ZINC000775340572 628083845 /nfs/dbraw/zinc/08/38/45/628083845.db2.gz HTXCLQQPGZEJPD-GJZGRUSLSA-N 1 1 290.432 3.071 20 30 CGEDMO C=CC[N@@H+](C[C@@H](O)c1ccc(F)cc1Cl)C(C)C ZINC000775572521 628109152 /nfs/dbraw/zinc/10/91/52/628109152.db2.gz SATJNXVCKBSOTJ-CQSZACIVSA-N 1 1 271.763 3.409 20 30 CGEDMO C#C[C@H]([NH2+][C@H](C)c1ccccc1OC(F)F)[C@H]1CCCO1 ZINC000775573453 628109962 /nfs/dbraw/zinc/10/99/62/628109962.db2.gz YNFCFZHTBJAXJZ-OSAQELSMSA-N 1 1 295.329 3.119 20 30 CGEDMO COc1ccc(C[NH2+][C@@H](CCC#N)c2ccccc2)nc1 ZINC000776010744 628157419 /nfs/dbraw/zinc/15/74/19/628157419.db2.gz YFDSFWZYVOOSDQ-KRWDZBQOSA-N 1 1 281.359 3.225 20 30 CGEDMO C=C[C@@H](CC)OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000776104401 628167505 /nfs/dbraw/zinc/16/75/05/628167505.db2.gz OPJMFNLFJWWVAK-HOTGVXAUSA-N 1 1 273.376 3.159 20 30 CGEDMO C=C[C@@H](CC)OC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000776104401 628167511 /nfs/dbraw/zinc/16/75/11/628167511.db2.gz OPJMFNLFJWWVAK-HOTGVXAUSA-N 1 1 273.376 3.159 20 30 CGEDMO C[C@@H](C(=O)O[C@H](C#N)C1CCCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000776388181 628202900 /nfs/dbraw/zinc/20/29/00/628202900.db2.gz XKBZNCBLZMWZQV-KNCOVGOOSA-N 1 1 292.423 3.263 20 30 CGEDMO C[C@@H](C(=O)O[C@H](C#N)C1CCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000776388181 628202903 /nfs/dbraw/zinc/20/29/03/628202903.db2.gz XKBZNCBLZMWZQV-KNCOVGOOSA-N 1 1 292.423 3.263 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[NH+](CC)CC ZINC000779148051 628390086 /nfs/dbraw/zinc/39/00/86/628390086.db2.gz LNYRWDFLOBUGSQ-UHFFFAOYSA-N 1 1 251.757 3.194 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@@H+](C)CC1CC1 ZINC000779153584 628390614 /nfs/dbraw/zinc/39/06/14/628390614.db2.gz KPCBZIAXFRYZIO-UHFFFAOYSA-N 1 1 263.768 3.194 20 30 CGEDMO C(=NNc1cc[nH+]cc1)c1cnc(C2CCCC2)s1 ZINC000779809000 628433341 /nfs/dbraw/zinc/43/33/41/628433341.db2.gz KAKWXWLAWNUGPE-UHFFFAOYSA-N 1 1 272.377 3.064 20 30 CGEDMO C(=NNc1cc[nH+]cc1)c1ccc(-c2ccccc2)o1 ZINC000779808205 628433467 /nfs/dbraw/zinc/43/34/67/628433467.db2.gz DIPXRZDLMPNYSA-UHFFFAOYSA-N 1 1 263.300 3.210 20 30 CGEDMO Clc1ccc2c(c1)C(=NNc1cc[nH+]cc1)CCCO2 ZINC000779808929 628433492 /nfs/dbraw/zinc/43/34/92/628433492.db2.gz ISKNKTGCSLERRQ-UHFFFAOYSA-N 1 1 287.750 3.146 20 30 CGEDMO CC(=NNc1cc[nH+]cc1)c1cccc(C(F)(F)F)c1 ZINC000779812041 628434532 /nfs/dbraw/zinc/43/45/32/628434532.db2.gz XFSJVEAIDLFRAP-UHFFFAOYSA-N 1 1 279.265 3.358 20 30 CGEDMO C[C@H]1C(=[NH+]n2cc(Br)cn2)CCC[C@@H]1C ZINC000781128389 628539208 /nfs/dbraw/zinc/53/92/08/628539208.db2.gz QYMZRSAWCZNBBD-DTWKUNHWSA-N 1 1 270.174 3.306 20 30 CGEDMO C[C@@H]([NH2+]Cc1cccc(F)n1)c1ccc(C#N)cc1F ZINC000781422271 628558882 /nfs/dbraw/zinc/55/88/82/628558882.db2.gz NILFGTABLJUGOB-SNVBAGLBSA-N 1 1 273.286 3.082 20 30 CGEDMO N#CCC1CC[NH+](Cc2occc2Br)CC1 ZINC000781927902 628605796 /nfs/dbraw/zinc/60/57/96/628605796.db2.gz RQEPVXDORVLZGV-UHFFFAOYSA-N 1 1 283.169 3.168 20 30 CGEDMO CCOc1c(Cl)cccc1C=NNc1cc[nH+]cc1 ZINC000782268683 628631795 /nfs/dbraw/zinc/63/17/95/628631795.db2.gz RUOBZNPTYMCIRX-UHFFFAOYSA-N 1 1 275.739 3.002 20 30 CGEDMO C=CCCN(CCn1cc[nH+]c1C)OCc1ccccc1 ZINC000782664029 628658403 /nfs/dbraw/zinc/65/84/03/628658403.db2.gz ASSZWLYGZYKSFD-UHFFFAOYSA-N 1 1 285.391 3.201 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)nc1 ZINC000783299806 628700760 /nfs/dbraw/zinc/70/07/60/628700760.db2.gz FQDKWZBAGWRTOJ-MRXNPFEDSA-N 1 1 297.333 3.096 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1cc(F)cc(F)c1 ZINC000783299394 628700864 /nfs/dbraw/zinc/70/08/64/628700864.db2.gz BSKUKAGXMFGTTO-JTQLQIEISA-N 1 1 273.286 3.082 20 30 CGEDMO COc1cc(C)ccc1[C@H](C)[NH2+]Cc1ccc(C#N)cn1 ZINC000783300651 628701392 /nfs/dbraw/zinc/70/13/92/628701392.db2.gz OUSYKKJHHSGICL-ZDUSSCGKSA-N 1 1 281.359 3.121 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(F)c(F)c1 ZINC000785997297 628906654 /nfs/dbraw/zinc/90/66/54/628906654.db2.gz KSTYKKBLUJSTMJ-DOMZBBRYSA-N 1 1 267.319 3.039 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000805808604 628938087 /nfs/dbraw/zinc/93/80/87/628938087.db2.gz VPRXJELKKGLGAK-MRXNPFEDSA-N 1 1 280.456 3.291 20 30 CGEDMO C#CC[N@H+](CCC(C)(C)OC)Cc1ccc(F)cc1 ZINC000787198636 629001756 /nfs/dbraw/zinc/00/17/56/629001756.db2.gz LWNHZXDISFUUMM-UHFFFAOYSA-N 1 1 263.356 3.076 20 30 CGEDMO C#CC[N@H+](CCOCC(F)(F)C(F)(F)F)C1CCCC1 ZINC000787262862 629005707 /nfs/dbraw/zinc/00/57/07/629005707.db2.gz KFJFWAJRGROQBM-UHFFFAOYSA-N 1 1 299.283 3.078 20 30 CGEDMO CC(C)N(C)c1ccc(C=[NH+]Nc2cccc(C#N)c2)cn1 ZINC000790155528 629187508 /nfs/dbraw/zinc/18/75/08/629187508.db2.gz LNZYHVPUOABREW-UHFFFAOYSA-N 1 1 293.374 3.244 20 30 CGEDMO CC[C@H](C)NN=C1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000790187776 629191048 /nfs/dbraw/zinc/19/10/48/629191048.db2.gz HFNWPDROBGUVRR-KBPBESRZSA-N 1 1 259.397 3.025 20 30 CGEDMO CC[C@H](C)NN=C1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000790187776 629191049 /nfs/dbraw/zinc/19/10/49/629191049.db2.gz HFNWPDROBGUVRR-KBPBESRZSA-N 1 1 259.397 3.025 20 30 CGEDMO Cc1cccnc1N=NC1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000790193208 629192927 /nfs/dbraw/zinc/19/29/27/629192927.db2.gz YGTRTOAACVPNGY-OAHLLOKOSA-N 1 1 294.402 3.452 20 30 CGEDMO C=CC[N@H+](Cc1nccn1-c1ccccc1)C(C)C ZINC000792162470 629342801 /nfs/dbraw/zinc/34/28/01/629342801.db2.gz JGWJDXNYWSCGQR-UHFFFAOYSA-N 1 1 255.365 3.269 20 30 CGEDMO C=CC[N@@H+](Cc1nccn1-c1ccccc1)C(C)C ZINC000792162470 629342807 /nfs/dbraw/zinc/34/28/07/629342807.db2.gz JGWJDXNYWSCGQR-UHFFFAOYSA-N 1 1 255.365 3.269 20 30 CGEDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc(C#N)c(F)c2)cc1 ZINC000792202093 629349001 /nfs/dbraw/zinc/34/90/01/629349001.db2.gz FAFMQHKSPUGGHA-UHFFFAOYSA-N 1 1 297.377 3.395 20 30 CGEDMO CN(C)c1ccc(C[N@@H+](C)CC#Cc2ccccc2)cc1 ZINC000792204909 629349478 /nfs/dbraw/zinc/34/94/78/629349478.db2.gz IXQLUGIBJBJABG-UHFFFAOYSA-N 1 1 278.399 3.236 20 30 CGEDMO C#CC[N@H+](C)[C@@H](CC)c1ccc(Br)cc1 ZINC000792302139 629354957 /nfs/dbraw/zinc/35/49/57/629354957.db2.gz NNADDPSBYLKNRQ-ZDUSSCGKSA-N 1 1 266.182 3.465 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000930169444 629372766 /nfs/dbraw/zinc/37/27/66/629372766.db2.gz YRPBGGMYGLWYOU-MRXNPFEDSA-N 1 1 280.375 3.235 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000930169444 629372768 /nfs/dbraw/zinc/37/27/68/629372768.db2.gz YRPBGGMYGLWYOU-MRXNPFEDSA-N 1 1 280.375 3.235 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccccc2Br)C1 ZINC000862442943 629375494 /nfs/dbraw/zinc/37/54/94/629375494.db2.gz ITZQSUDCJCNKHX-GFCCVEGCSA-N 1 1 278.193 3.294 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000862441834 629374409 /nfs/dbraw/zinc/37/44/09/629374409.db2.gz WVODNLFPKPRANV-INIZCTEOSA-N 1 1 283.419 3.434 20 30 CGEDMO CCCCCCCNC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000875765765 634731103 /nfs/dbraw/zinc/73/11/03/634731103.db2.gz YTOFUYOSVHAQKR-JKSUJKDBSA-N 1 1 297.487 3.471 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000862442678 629376032 /nfs/dbraw/zinc/37/60/32/629376032.db2.gz FKULOPVVAJPXEM-GFCCVEGCSA-N 1 1 272.373 3.248 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000862443263 629376071 /nfs/dbraw/zinc/37/60/71/629376071.db2.gz NDLRALMTPUCZHJ-ZDUSSCGKSA-N 1 1 283.350 3.061 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000862443454 629376317 /nfs/dbraw/zinc/37/63/17/629376317.db2.gz OYUCEHDPHAKGMX-LLVKDONJSA-N 1 1 278.739 3.093 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(SC)c(OC)c2)C1 ZINC000862443491 629376396 /nfs/dbraw/zinc/37/63/96/629376396.db2.gz PPHBSCDHKKGTQI-ZDUSSCGKSA-N 1 1 275.417 3.262 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(OC)cc2Cl)C1 ZINC000862443457 629376590 /nfs/dbraw/zinc/37/65/90/629376590.db2.gz PCSAVXGSSJNZJR-LBPRGKRZSA-N 1 1 263.768 3.194 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(OC)cc2OC(F)F)C1 ZINC000862444464 629377781 /nfs/dbraw/zinc/37/77/81/629377781.db2.gz AQTSOGOUBLNMCF-LBPRGKRZSA-N 1 1 295.329 3.142 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000793229336 629432333 /nfs/dbraw/zinc/43/23/33/629432333.db2.gz XPBNPGUFBXSYTP-GXTWGEPZSA-N 1 1 297.320 3.471 20 30 CGEDMO C[N@@H+](Cc1ccccc1)C1CCC(=Nn2cccn2)CC1 ZINC000863164073 629488109 /nfs/dbraw/zinc/48/81/09/629488109.db2.gz ZHSMSWDNTVBPTA-UHFFFAOYSA-N 1 1 282.391 3.162 20 30 CGEDMO N#CCOc1ccc(Cl)cc1Cn1cc[nH+]c1C1CC1 ZINC000863385929 629556055 /nfs/dbraw/zinc/55/60/55/629556055.db2.gz LJBNVHMNSBKEEX-UHFFFAOYSA-N 1 1 287.750 3.365 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)CN1C[C@H](C2CC2)CC1=O ZINC000794649575 629562954 /nfs/dbraw/zinc/56/29/54/629562954.db2.gz BJITWPHOSXSQJI-GOSISDBHSA-N 1 1 298.430 3.281 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)CN1C[C@H](C2CC2)CC1=O ZINC000794649575 629562958 /nfs/dbraw/zinc/56/29/58/629562958.db2.gz BJITWPHOSXSQJI-GOSISDBHSA-N 1 1 298.430 3.281 20 30 CGEDMO N#Cc1ccc(CO[NH+]=C(N)CCC(F)(F)F)cc1F ZINC000863490104 629588837 /nfs/dbraw/zinc/58/88/37/629588837.db2.gz FLZYTTACVINUFV-UHFFFAOYSA-N 1 1 289.232 3.038 20 30 CGEDMO C=CCNN=C1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000794999037 629617800 /nfs/dbraw/zinc/61/78/00/629617800.db2.gz URJKOGQFGDQABA-IAGOWNOFSA-N 1 1 283.419 3.050 20 30 CGEDMO CN(C)c1ccc(C#N)cc1CNc1ccc2[nH]c[nH+]c2c1 ZINC000864036660 629734827 /nfs/dbraw/zinc/73/48/27/629734827.db2.gz VRMMQFQJUOVWCI-UHFFFAOYSA-N 1 1 291.358 3.113 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H](CC)O[C@]2(CCOC2)C1 ZINC000796557766 629800048 /nfs/dbraw/zinc/80/00/48/629800048.db2.gz VYUUZKDCCSSYPR-JKSUJKDBSA-N 1 1 269.429 3.227 20 30 CGEDMO CC(C)(C)[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000796574420 629801905 /nfs/dbraw/zinc/80/19/05/629801905.db2.gz DVIIIVYFOWDILT-DLBZAZTESA-N 1 1 286.419 3.350 20 30 CGEDMO COc1cccc(O)c1/C=N/C[C@@H]1c2ccccc2C[N@H+]1C ZINC000864349211 629817645 /nfs/dbraw/zinc/81/76/45/629817645.db2.gz USEXXAKJHJJXLO-MWJIIQFGSA-N 1 1 296.370 3.006 20 30 CGEDMO COc1cccc(O)c1/C=N/C[C@@H]1c2ccccc2C[N@@H+]1C ZINC000864349211 629817649 /nfs/dbraw/zinc/81/76/49/629817649.db2.gz USEXXAKJHJJXLO-MWJIIQFGSA-N 1 1 296.370 3.006 20 30 CGEDMO COc1cccc(/C=N/C[C@H]2c3ccccc3C[N@H+]2C)c1O ZINC000864348312 629817982 /nfs/dbraw/zinc/81/79/82/629817982.db2.gz JALOLJVWSJUJSW-JJLFXSABSA-N 1 1 296.370 3.006 20 30 CGEDMO COc1cccc(/C=N/C[C@H]2c3ccccc3C[N@@H+]2C)c1O ZINC000864348312 629817983 /nfs/dbraw/zinc/81/79/83/629817983.db2.gz JALOLJVWSJUJSW-JJLFXSABSA-N 1 1 296.370 3.006 20 30 CGEDMO C=CCSCC[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000796812668 629838962 /nfs/dbraw/zinc/83/89/62/629838962.db2.gz UMAFHUSXNITEPV-CYBMUJFWSA-N 1 1 269.385 3.491 20 30 CGEDMO C=CCC(C)(C)C(=O)OC[C@H]1CCC[N@H+]1Cc1ccco1 ZINC000796996315 629869948 /nfs/dbraw/zinc/86/99/48/629869948.db2.gz PWLYHZDDOCYUTD-CQSZACIVSA-N 1 1 291.391 3.390 20 30 CGEDMO C[C@@H]([NH2+]CC1(CC#N)CC1)c1c(F)cccc1F ZINC000797423814 629945341 /nfs/dbraw/zinc/94/53/41/629945341.db2.gz WJJWBMBREHHWAZ-SNVBAGLBSA-N 1 1 250.292 3.309 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(N(C)c2ccccc2)nc1 ZINC000798080306 630019690 /nfs/dbraw/zinc/01/96/90/630019690.db2.gz XAMNRFOGTHKJCD-HNNXBMFYSA-N 1 1 279.387 3.303 20 30 CGEDMO CC(C)(CC#N)C[NH2+]Cc1c(Cl)cncc1Cl ZINC000865599854 630212216 /nfs/dbraw/zinc/21/22/16/630212216.db2.gz VMVLDSPSFGHMAF-UHFFFAOYSA-N 1 1 272.179 3.418 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccccc1Cl ZINC000800381768 630269668 /nfs/dbraw/zinc/26/96/68/630269668.db2.gz ISACNAUCIMOHSV-DOMZBBRYSA-N 1 1 265.784 3.414 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000801909280 630363851 /nfs/dbraw/zinc/36/38/51/630363851.db2.gz ABONTDZVOVVSTD-DOMZBBRYSA-N 1 1 278.783 3.406 20 30 CGEDMO Cc1ccc([C@@H]2CCC[N@@H+]2CCO[C@@H](C)C#N)cc1 ZINC000801909569 630364199 /nfs/dbraw/zinc/36/41/99/630364199.db2.gz OONJKIXVAVTWHQ-HOCLYGCPSA-N 1 1 258.365 3.061 20 30 CGEDMO C[C@H](C#N)OCC[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC000801909441 630364305 /nfs/dbraw/zinc/36/43/05/630364305.db2.gz BWEGHPATGFBOEJ-SNVBAGLBSA-N 1 1 287.190 3.354 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC000801909441 630364307 /nfs/dbraw/zinc/36/43/07/630364307.db2.gz BWEGHPATGFBOEJ-SNVBAGLBSA-N 1 1 287.190 3.354 20 30 CGEDMO CCc1ccc(C[N@@H+](CCO[C@H](C)C#N)C2CC2)cc1 ZINC000801914532 630364803 /nfs/dbraw/zinc/36/48/03/630364803.db2.gz KDGOOJRBLJIXMO-CQSZACIVSA-N 1 1 272.392 3.142 20 30 CGEDMO Cc1ccc([C@@H]2CSCC[N@@H+]2CCO[C@H](C)C#N)cc1 ZINC000801921818 630367160 /nfs/dbraw/zinc/36/71/60/630367160.db2.gz NBVLATBQFLIHFC-ZBFHGGJFSA-N 1 1 290.432 3.014 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000801930129 630368609 /nfs/dbraw/zinc/36/86/09/630368609.db2.gz GOZHPNREPZQADY-DYVFJYSZSA-N 1 1 270.376 3.067 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000801930344 630369382 /nfs/dbraw/zinc/36/93/82/630369382.db2.gz NHSILETXNBVHKX-ZBFHGGJFSA-N 1 1 297.402 3.276 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000801938315 630370619 /nfs/dbraw/zinc/37/06/19/630370619.db2.gz DNXZAYYSGCJBMM-GJZGRUSLSA-N 1 1 290.382 3.324 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000801938317 630370779 /nfs/dbraw/zinc/37/07/79/630370779.db2.gz DNXZAYYSGCJBMM-LSDHHAIUSA-N 1 1 290.382 3.324 20 30 CGEDMO CC[C@H](C[N@@H+](CC)CCO[C@H](C)C#N)c1ccccc1 ZINC000801943198 630371964 /nfs/dbraw/zinc/37/19/64/630371964.db2.gz NCDSTJQCQWKAQX-HZPDHXFCSA-N 1 1 274.408 3.431 20 30 CGEDMO C[N@@H+](CCNc1nc(Cl)c(C#N)s1)C1CCCCC1 ZINC000804378710 630524294 /nfs/dbraw/zinc/52/42/94/630524294.db2.gz BHDHFEWHJDEIOW-UHFFFAOYSA-N 1 1 298.843 3.345 20 30 CGEDMO COc1ccc(C[N@@H+](CCO[C@H](C)C#N)C(C)(C)C)cc1 ZINC000808795244 630678825 /nfs/dbraw/zinc/67/88/25/630678825.db2.gz KUOKGIHHZWSDNI-CQSZACIVSA-N 1 1 290.407 3.224 20 30 CGEDMO C#Cc1ccc(CNCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000809606667 630759823 /nfs/dbraw/zinc/75/98/23/630759823.db2.gz ZDHYNJXPDZAFGC-IAGOWNOFSA-N 1 1 284.447 3.126 20 30 CGEDMO C#Cc1ccc(CNc2cccnc2-n2cc[nH+]c2C)cc1 ZINC000809635401 630768810 /nfs/dbraw/zinc/76/88/10/630768810.db2.gz XDKXLWQQRSJMDJ-UHFFFAOYSA-N 1 1 288.354 3.169 20 30 CGEDMO C#C[C@H]([NH2+][C@@H](C)COCC)c1ccc(Cl)cc1F ZINC000809698216 630786016 /nfs/dbraw/zinc/78/60/16/630786016.db2.gz BWKULCJKYYNNNW-HZMBPMFUSA-N 1 1 269.747 3.168 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000810146615 630846979 /nfs/dbraw/zinc/84/69/79/630846979.db2.gz UEVAZMIIFXWEOE-UHFFFAOYSA-N 1 1 274.673 3.419 20 30 CGEDMO C#CCCCCC[N@@H+]1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000878575009 635559784 /nfs/dbraw/zinc/55/97/84/635559784.db2.gz WJFTURYRMUPWOE-IBGZPJMESA-N 1 1 284.447 3.039 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000811513116 631080808 /nfs/dbraw/zinc/08/08/08/631080808.db2.gz WJHULTVMGZCPQF-ZDUSSCGKSA-N 1 1 279.330 3.176 20 30 CGEDMO C=CCCCCCCCNC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000811892494 631130839 /nfs/dbraw/zinc/13/08/39/631130839.db2.gz UUTGYUJMRWZUPI-HNNXBMFYSA-N 1 1 293.455 3.049 20 30 CGEDMO CC(C)OCCON=C1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000812238984 631229228 /nfs/dbraw/zinc/22/92/28/631229228.db2.gz KKMOKHWANAYBRX-OAHLLOKOSA-N 1 1 290.407 3.078 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(F)cc1 ZINC000812795501 631313496 /nfs/dbraw/zinc/31/34/96/631313496.db2.gz ZPFKSBZLNPDRFL-QGZVFWFLSA-N 1 1 281.330 3.225 20 30 CGEDMO CCCCCCCCC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000814164480 631534314 /nfs/dbraw/zinc/53/43/14/631534314.db2.gz BGGSLZPWXBKXSR-KRWDZBQOSA-N 1 1 280.456 3.291 20 30 CGEDMO C#CC[N@@H+](CCC1CCOCC1)[C@H]1CCc2ccccc21 ZINC000814619349 631614120 /nfs/dbraw/zinc/61/41/20/631614120.db2.gz MOYNHFNCILRGRD-IBGZPJMESA-N 1 1 283.415 3.426 20 30 CGEDMO CCC(=[NH+]OC1CCOCC1)c1ccc(Cl)c(N)c1 ZINC000814907738 631676193 /nfs/dbraw/zinc/67/61/93/631676193.db2.gz XMZXURXVPUKJCQ-UHFFFAOYSA-N 1 1 282.771 3.232 20 30 CGEDMO C#CC[N@@H+](CC)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000815058609 631709223 /nfs/dbraw/zinc/70/92/23/631709223.db2.gz KTIUCILCXLWURO-UHFFFAOYSA-N 1 1 286.253 3.069 20 30 CGEDMO C#CC[N@H+](CC)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000815058609 631709230 /nfs/dbraw/zinc/70/92/30/631709230.db2.gz KTIUCILCXLWURO-UHFFFAOYSA-N 1 1 286.253 3.069 20 30 CGEDMO C#C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C(C)(C)C ZINC000816612075 632022743 /nfs/dbraw/zinc/02/27/43/632022743.db2.gz FQDFOCWQSFVVBI-ZDUSSCGKSA-N 1 1 269.747 3.322 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)[C@@H]1C ZINC000816649247 632038159 /nfs/dbraw/zinc/03/81/59/632038159.db2.gz WHCSEAZSBDMZSC-HUUCEWRRSA-N 1 1 294.402 3.304 20 30 CGEDMO C[C@@H](c1ccccn1)[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879433496 635786789 /nfs/dbraw/zinc/78/67/89/635786789.db2.gz UTRCRZKCAVPXEB-AWEZNQCLSA-N 1 1 265.360 3.189 20 30 CGEDMO C=CC1(CC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CCCCC1 ZINC000820342772 632608912 /nfs/dbraw/zinc/60/89/12/632608912.db2.gz NTMPRJBRMBSPLO-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(Br)C[NH2+]Cc1ccccc1OC(C)C ZINC000105453978 635831556 /nfs/dbraw/zinc/83/15/56/635831556.db2.gz ONSCXMOYFDOLJC-UHFFFAOYSA-N 1 1 284.197 3.472 20 30 CGEDMO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)CO2 ZINC000866306490 633073954 /nfs/dbraw/zinc/07/39/54/633073954.db2.gz SCYMFIFEJIVBHM-BLLLJJGKSA-N 1 1 294.354 3.357 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000880047382 635904158 /nfs/dbraw/zinc/90/41/58/635904158.db2.gz OOFGNJNFXGZGOC-FZMZJTMJSA-N 1 1 298.308 3.272 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000880047382 635904160 /nfs/dbraw/zinc/90/41/60/635904160.db2.gz OOFGNJNFXGZGOC-FZMZJTMJSA-N 1 1 298.308 3.272 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000880047383 635904269 /nfs/dbraw/zinc/90/42/69/635904269.db2.gz OOFGNJNFXGZGOC-RISCZKNCSA-N 1 1 298.308 3.272 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000880047383 635904270 /nfs/dbraw/zinc/90/42/70/635904270.db2.gz OOFGNJNFXGZGOC-RISCZKNCSA-N 1 1 298.308 3.272 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 ZINC000824696485 633273886 /nfs/dbraw/zinc/27/38/86/633273886.db2.gz NFMWOCUWHSTOEU-QRVBRYPASA-N 1 1 283.415 3.183 20 30 CGEDMO CCCCCCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC000824845139 633300409 /nfs/dbraw/zinc/30/04/09/633300409.db2.gz MHCCHHLQDRHUEW-UHFFFAOYSA-N 1 1 265.401 3.093 20 30 CGEDMO C#CCCOc1ccc(C[NH2+][C@H]2C[C@H](C)n3ccnc32)cc1 ZINC000825017822 633318840 /nfs/dbraw/zinc/31/88/40/633318840.db2.gz ZAURYALZZCVKNO-YOEHRIQHSA-N 1 1 295.386 3.081 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CCC[C@@]3(CCOC3)C2)cc1 ZINC000825133485 633331912 /nfs/dbraw/zinc/33/19/12/633331912.db2.gz HITXNMXGMOWNIF-LJQANCHMSA-N 1 1 299.414 3.091 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)cc1 ZINC000827377404 633487319 /nfs/dbraw/zinc/48/73/19/633487319.db2.gz XNIZONZCMRVHAB-OALUTQOASA-N 1 1 283.415 3.449 20 30 CGEDMO C=CCCCC[N@@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000827391087 633487975 /nfs/dbraw/zinc/48/79/75/633487975.db2.gz WOWGWQZLCQGZNP-UHFFFAOYSA-N 1 1 271.364 3.124 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000827391087 633487978 /nfs/dbraw/zinc/48/79/78/633487978.db2.gz WOWGWQZLCQGZNP-UHFFFAOYSA-N 1 1 271.364 3.124 20 30 CGEDMO C=CC[N@H+](CC/C=C/c1cncc(OC)c1)C(C)C ZINC000827799429 633519407 /nfs/dbraw/zinc/51/94/07/633519407.db2.gz RPSNIBPTEIAYDW-SOFGYWHQSA-N 1 1 260.381 3.390 20 30 CGEDMO CO[C@H](Cc1ccccc1)C[N@@H+](CCC#N)CC(C)C ZINC000827872475 633528633 /nfs/dbraw/zinc/52/86/33/633528633.db2.gz CVDYHUOFKULLQQ-QGZVFWFLSA-N 1 1 274.408 3.116 20 30 CGEDMO C#CCC(C)(C)C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC000888573664 633774691 /nfs/dbraw/zinc/77/46/91/633774691.db2.gz YMZJJCPRRJZNSE-UHFFFAOYSA-N 1 1 285.391 3.060 20 30 CGEDMO C#CC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000829775172 633781026 /nfs/dbraw/zinc/78/10/26/633781026.db2.gz YUBMUEIVOAAOKA-SJORKVTESA-N 1 1 298.430 3.366 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000829779473 633782187 /nfs/dbraw/zinc/78/21/87/633782187.db2.gz WEYCPBZPDBKWIG-AWEZNQCLSA-N 1 1 297.427 3.440 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2nc(C)c3ccccc3n2)C1 ZINC000829799398 633788281 /nfs/dbraw/zinc/78/82/81/633788281.db2.gz OFGBWVWTHYUZED-HNNXBMFYSA-N 1 1 279.387 3.174 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](CCC(=O)c2ccc(F)cc2)C1 ZINC000829809982 633793104 /nfs/dbraw/zinc/79/31/04/633793104.db2.gz JTUAEKDYOIQVKP-CQSZACIVSA-N 1 1 273.351 3.134 20 30 CGEDMO N#CC1CC[NH+](Cc2ccc(CSC(F)F)o2)CC1 ZINC000123756403 633833367 /nfs/dbraw/zinc/83/33/67/633833367.db2.gz ZDUJBBJULSOFDA-UHFFFAOYSA-N 1 1 286.347 3.471 20 30 CGEDMO C#CC1CC[NH+]([C@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000830316482 633849103 /nfs/dbraw/zinc/84/91/03/633849103.db2.gz UQQPFTCYYPWVJY-LLVKDONJSA-N 1 1 287.388 3.204 20 30 CGEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2ccc(CC)cc2)no1 ZINC000871778881 633859342 /nfs/dbraw/zinc/85/93/42/633859342.db2.gz COLRWUMVOGQKDB-LBPRGKRZSA-N 1 1 277.755 3.441 20 30 CGEDMO C[C@@H]1CC2(C[N@H+]1Cc1ccc(F)cc1C#N)CCOCC2 ZINC000830623072 633874925 /nfs/dbraw/zinc/87/49/25/633874925.db2.gz XKCVAOKIUYJGAJ-CYBMUJFWSA-N 1 1 288.366 3.088 20 30 CGEDMO C=C(Cl)C[C@H]([NH3+])c1nc(Cc2cccc(C)c2)no1 ZINC000872173561 634077898 /nfs/dbraw/zinc/07/78/98/634077898.db2.gz RNYDOFZTQFJEPL-LBPRGKRZSA-N 1 1 277.755 3.111 20 30 CGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ccccc2COC)no1 ZINC000872176989 634078604 /nfs/dbraw/zinc/07/86/04/634078604.db2.gz XRDAFAFENCUXKH-GFCCVEGCSA-N 1 1 293.754 3.025 20 30 CGEDMO C[N@@H+](Cc1cc2c(cc1O)CCC2)[C@@H]1CCC[C@H]1C#N ZINC000872684042 634187003 /nfs/dbraw/zinc/18/70/03/634187003.db2.gz ZYDOVHZHJXRKEP-GOEBONIOSA-N 1 1 270.376 3.005 20 30 CGEDMO C[N@@H+](Cc1cc2c(cc1O)CCC2)[C@@H]1CCC[C@@H]1C#N ZINC000872684040 634187360 /nfs/dbraw/zinc/18/73/60/634187360.db2.gz ZYDOVHZHJXRKEP-GDBMZVCRSA-N 1 1 270.376 3.005 20 30 CGEDMO C=C[C@@H](C)[NH2+][C@H](C)c1nc(Br)cs1 ZINC000834619539 634199463 /nfs/dbraw/zinc/19/94/63/634199463.db2.gz IKGQPDDKDQTGQR-RNFRBKRXSA-N 1 1 261.188 3.131 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873056920 634238493 /nfs/dbraw/zinc/23/84/93/634238493.db2.gz UEBYSIZZSPXMSP-UHFFFAOYSA-N 1 1 254.717 3.054 20 30 CGEDMO C[C@@H]1CC[C@H](C)CC1=[NH+]n1cc(Br)cn1 ZINC000834966454 634296640 /nfs/dbraw/zinc/29/66/40/634296640.db2.gz OBGSVTHJWRXJHQ-DTWKUNHWSA-N 1 1 270.174 3.306 20 30 CGEDMO C=CCNN=C1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]12 ZINC000834977685 634301522 /nfs/dbraw/zinc/30/15/22/634301522.db2.gz PZDRGLYDBDEXPJ-WMZOPIPTSA-N 1 1 283.419 3.193 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1ccc(OC)c(Br)c1 ZINC000124490485 634342076 /nfs/dbraw/zinc/34/20/76/634342076.db2.gz AKDLMJNNBQFXRK-UHFFFAOYSA-N 1 1 290.588 3.300 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@@H](c2nc(C)no2)C1 ZINC000876612728 634867754 /nfs/dbraw/zinc/86/77/54/634867754.db2.gz VHDJYGGXCBYFTB-OAHLLOKOSA-N 1 1 275.396 3.141 20 30 CGEDMO C#CCCCCCC[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000876679695 634879843 /nfs/dbraw/zinc/87/98/43/634879843.db2.gz IQVBDOKKSXCCES-INIZCTEOSA-N 1 1 259.397 3.104 20 30 CGEDMO C=CCCC[N@@H+](C)Cc1cccnc1Br ZINC000876752910 634892994 /nfs/dbraw/zinc/89/29/94/634892994.db2.gz CUPVOEZFBJJZQW-UHFFFAOYSA-N 1 1 269.186 3.242 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cccnc1Br ZINC000876752910 634892996 /nfs/dbraw/zinc/89/29/96/634892996.db2.gz CUPVOEZFBJJZQW-UHFFFAOYSA-N 1 1 269.186 3.242 20 30 CGEDMO CC(C)[C@@H]1CC[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876806721 634901938 /nfs/dbraw/zinc/90/19/38/634901938.db2.gz SLRZFTKYKJFUJE-GFCCVEGCSA-N 1 1 263.772 3.085 20 30 CGEDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877312295 635023472 /nfs/dbraw/zinc/02/34/72/635023472.db2.gz CQCFYJTUTKJKMT-ZDUSSCGKSA-N 1 1 277.799 3.475 20 30 CGEDMO C[C@@H](C#N)C[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000877321977 635026107 /nfs/dbraw/zinc/02/61/07/635026107.db2.gz VKSOSHITLAOANI-LBPRGKRZSA-N 1 1 289.379 3.283 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1cc2c(ccnc2Cl)o1 ZINC000877323553 635027024 /nfs/dbraw/zinc/02/70/24/635027024.db2.gz SCNWOCADAHBBES-UHFFFAOYSA-N 1 1 263.728 3.121 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cc2c(cc[nH]c2=O)o1 ZINC000877483463 635055141 /nfs/dbraw/zinc/05/51/41/635055141.db2.gz NPRODGDDWTUOPE-LLVKDONJSA-N 1 1 258.321 3.074 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC[C@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000877672309 635141329 /nfs/dbraw/zinc/14/13/29/635141329.db2.gz BGRYQTMNVMNNLR-VQTJNVASSA-N 1 1 291.394 3.366 20 30 CGEDMO Cc1cc(C[N@H+]2CC[C@@H]3CSC[C@H]3C2)ccc1C#N ZINC000877740135 635175961 /nfs/dbraw/zinc/17/59/61/635175961.db2.gz VEXKPFFOOSQFPU-HZPDHXFCSA-N 1 1 272.417 3.052 20 30 CGEDMO C[C@@H]([NH2+]CC1(CC#N)CC1)c1ccc(Cl)cc1O ZINC000841750710 635225112 /nfs/dbraw/zinc/22/51/12/635225112.db2.gz AJGBTUMMEUUDNE-SNVBAGLBSA-N 1 1 264.756 3.390 20 30 CGEDMO CC[N@@H+](CC[C@@H](O)C(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000877990411 635309436 /nfs/dbraw/zinc/30/94/36/635309436.db2.gz DVTGNQUSCJSQMA-WMLDXEAASA-N 1 1 274.408 3.348 20 30 CGEDMO C=CCCCCC[N@H+](C)CCc1ccc(C(N)=O)cc1 ZINC000878125597 635367935 /nfs/dbraw/zinc/36/79/35/635367935.db2.gz OZSFTVLBPQDYDC-UHFFFAOYSA-N 1 1 274.408 3.006 20 30 CGEDMO C=CC[C@H](C)[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000878151054 635379271 /nfs/dbraw/zinc/37/92/71/635379271.db2.gz UEAZQNIRTKIYBY-FUHWJXTLSA-N 1 1 272.436 3.405 20 30 CGEDMO C=CC[C@H](C)[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000878151054 635379275 /nfs/dbraw/zinc/37/92/75/635379275.db2.gz UEAZQNIRTKIYBY-FUHWJXTLSA-N 1 1 272.436 3.405 20 30 CGEDMO CC[N@@H+](C[C@H](O)c1ccc(C)cc1)CC1(CC#N)CC1 ZINC000878148309 635379626 /nfs/dbraw/zinc/37/96/26/635379626.db2.gz GFFIEJVZQNJSFA-INIZCTEOSA-N 1 1 272.392 3.044 20 30 CGEDMO CC[N@H+](CCC#N)C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000878159206 635385786 /nfs/dbraw/zinc/38/57/86/635385786.db2.gz GBSPFXUYBURWOV-CVEARBPZSA-N 1 1 258.365 3.142 20 30 CGEDMO CC[N@@H+](CCC#N)C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000878159206 635385792 /nfs/dbraw/zinc/38/57/92/635385792.db2.gz GBSPFXUYBURWOV-CVEARBPZSA-N 1 1 258.365 3.142 20 30 CGEDMO C[C@H](CC#N)[N@H+](C)C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000878188872 635402421 /nfs/dbraw/zinc/40/24/21/635402421.db2.gz OXSQYGXPVGWRRN-FVQBIDKESA-N 1 1 258.365 3.141 20 30 CGEDMO C[C@H](CC#N)[N@@H+](C)C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000878188872 635402423 /nfs/dbraw/zinc/40/24/23/635402423.db2.gz OXSQYGXPVGWRRN-FVQBIDKESA-N 1 1 258.365 3.141 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000842627082 635419894 /nfs/dbraw/zinc/41/98/94/635419894.db2.gz CYYRUOICPQIDIC-OAHLLOKOSA-N 1 1 257.377 3.244 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc(OC)cc(CC=C)c2O)C1 ZINC000842627928 635421347 /nfs/dbraw/zinc/42/13/47/635421347.db2.gz OSMAYJGLBHLJPI-OAHLLOKOSA-N 1 1 299.414 3.365 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCC[C@H](CCC(=O)OCC)C1 ZINC000878293418 635447602 /nfs/dbraw/zinc/44/76/02/635447602.db2.gz JDMCPWLEWSQJBL-UONOGXRCSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CC(C)(C)CC(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000878380945 635483415 /nfs/dbraw/zinc/48/34/15/635483415.db2.gz LCVLBULKVMXREW-UHFFFAOYSA-N 1 1 288.435 3.357 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1coc(-c2ccccc2OC)n1 ZINC000878513469 635539052 /nfs/dbraw/zinc/53/90/52/635539052.db2.gz BZADEFPJRGUXMS-UHFFFAOYSA-N 1 1 284.359 3.194 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1coc(-c2ccccc2OC)n1 ZINC000878513469 635539056 /nfs/dbraw/zinc/53/90/56/635539056.db2.gz BZADEFPJRGUXMS-UHFFFAOYSA-N 1 1 284.359 3.194 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1C[C@H]1CCC2(CCOCC2)CO1 ZINC000878524644 635541421 /nfs/dbraw/zinc/54/14/21/635541421.db2.gz RTHMGNOUOOLGKB-JKSUJKDBSA-N 1 1 279.424 3.003 20 30 CGEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCC(C)=C(C)C1)c1ccccc1 ZINC000878545146 635552168 /nfs/dbraw/zinc/55/21/68/635552168.db2.gz GBENMDRRVLWVCM-IBGZPJMESA-N 1 1 296.414 3.469 20 30 CGEDMO C[N@@H+](C[C@H]1CC(C)(C)OC1(C)C)CC(C)(C)C#N ZINC000878650688 635590025 /nfs/dbraw/zinc/59/00/25/635590025.db2.gz OYDSHEJQLGXQLK-GFCCVEGCSA-N 1 1 252.402 3.062 20 30 CGEDMO C#CCCCCC[N@@H+](Cc1cnn(C)c1)CC(C)C ZINC000878697159 635608043 /nfs/dbraw/zinc/60/80/43/635608043.db2.gz FFWMHKSQAVHIBA-UHFFFAOYSA-N 1 1 261.413 3.072 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](C[C@@H]2CCC3(CCOCC3)O2)C1 ZINC000878915579 635657191 /nfs/dbraw/zinc/65/71/91/635657191.db2.gz WSPFBQAXGVBWDI-HOTGVXAUSA-N 1 1 279.424 3.003 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2cc3cccnc3o2)C1 ZINC000843423306 635666767 /nfs/dbraw/zinc/66/67/67/635666767.db2.gz LPOMOQUUIUUSPV-ZDUSSCGKSA-N 1 1 254.333 3.063 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000843423953 635668000 /nfs/dbraw/zinc/66/80/00/635668000.db2.gz MPIFYIZIPJHEMQ-OAHLLOKOSA-N 1 1 279.387 3.312 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2cccc3cc[nH]c32)C1 ZINC000843423838 635668772 /nfs/dbraw/zinc/66/87/72/635668772.db2.gz KPSNFYDSLPQWFQ-CQSZACIVSA-N 1 1 252.361 3.403 20 30 CGEDMO C#CCCCCC[N@H+]1CCc2nc(C(C)C)ncc2C1 ZINC000879032462 635686050 /nfs/dbraw/zinc/68/60/50/635686050.db2.gz XJZDUENOVSWCOL-UHFFFAOYSA-N 1 1 271.408 3.152 20 30 CGEDMO C[N@@H+](CC[C@@H]1CC1(Cl)Cl)[C@@H]1CCC[C@@H]1C#N ZINC000879308875 635750939 /nfs/dbraw/zinc/75/09/39/635750939.db2.gz JKIKAVRHAYAKFP-GMTAPVOTSA-N 1 1 261.196 3.194 20 30 CGEDMO CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000879323638 635757143 /nfs/dbraw/zinc/75/71/43/635757143.db2.gz SNFRWHBZOKTIKG-GDBMZVCRSA-N 1 1 286.419 3.487 20 30 CGEDMO C=CC[N@H+](C[C@H]1CCC[C@H](C(F)(F)F)O1)C1CC1 ZINC000930175627 635783033 /nfs/dbraw/zinc/78/30/33/635783033.db2.gz NGJIZPQXLWRLBT-VXGBXAGGSA-N 1 1 263.303 3.137 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844372112 635884255 /nfs/dbraw/zinc/88/42/55/635884255.db2.gz UXWFYKHGMGENSB-YOEHRIQHSA-N 1 1 272.392 3.268 20 30 CGEDMO N#CCC[C@H](C#N)C[N@H+]1CC[C@]2(CCc3ccccc32)C1 ZINC000879994252 635891506 /nfs/dbraw/zinc/89/15/06/635891506.db2.gz AJTCXLGSFMIUJC-CRAIPNDOSA-N 1 1 279.387 3.020 20 30 CGEDMO C[C@@]1(C(F)(F)F)CC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000880000216 635895817 /nfs/dbraw/zinc/89/58/17/635895817.db2.gz KDSFVZGDENROCB-CQSZACIVSA-N 1 1 298.308 3.211 20 30 CGEDMO Cc1nccnc1[C@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC000880106911 635914910 /nfs/dbraw/zinc/91/49/10/635914910.db2.gz PCEFBCYIAAQRMG-LBPRGKRZSA-N 1 1 285.778 3.141 20 30 CGEDMO N#Cc1ccc(C[NH+]2CCC(F)CC2)c(Br)c1 ZINC000880240156 635949694 /nfs/dbraw/zinc/94/96/94/635949694.db2.gz NQNWKSNMIOSBOD-UHFFFAOYSA-N 1 1 297.171 3.255 20 30 CGEDMO CO[C@]1(C(F)(F)F)CC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000880302616 635970414 /nfs/dbraw/zinc/97/04/14/635970414.db2.gz JGHWKJWSXKFYIH-BXUZGUMPSA-N 1 1 298.308 3.272 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CC[C@@H](c3nccs3)C2)cc1 ZINC000880320123 635974718 /nfs/dbraw/zinc/97/47/18/635974718.db2.gz OZHMCWVILSFPBY-CQSZACIVSA-N 1 1 286.375 3.123 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3nccs3)C2)s1 ZINC000880321637 635975996 /nfs/dbraw/zinc/97/59/96/635975996.db2.gz ZBWVBOCLGPLNQC-SNVBAGLBSA-N 1 1 275.402 3.066 20 30 CGEDMO COc1cc2c(cc1OC)C(C)(C)[N@@H+](CCCC#N)CC2 ZINC000880390382 635992319 /nfs/dbraw/zinc/99/23/19/635992319.db2.gz QMYCVXSCPZMDMZ-UHFFFAOYSA-N 1 1 288.391 3.101 20 30 CGEDMO N#CC1(C[NH2+]Cc2cnc3ccccc3c2)CCCC1 ZINC000846009887 636129083 /nfs/dbraw/zinc/12/90/83/636129083.db2.gz DWEORCQCFUWWBX-UHFFFAOYSA-N 1 1 265.360 3.408 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)s1 ZINC000846107018 636144153 /nfs/dbraw/zinc/14/41/53/636144153.db2.gz DTBOUAXTEAPBBY-LBPRGKRZSA-N 1 1 268.332 3.241 20 30 CGEDMO C=CCCC[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000882234045 636294982 /nfs/dbraw/zinc/29/49/82/636294982.db2.gz FXUHGGUKXFWSHA-IRXDYDNUSA-N 1 1 286.419 3.152 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(OCC)c(OCC)c2)C1 ZINC000847022688 636313618 /nfs/dbraw/zinc/31/36/18/636313618.db2.gz JBWOQCNBRDOTAB-HNNXBMFYSA-N 1 1 287.403 3.329 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](CC(=O)Nc2c(CC)cccc2CC)C1 ZINC000847028737 636318711 /nfs/dbraw/zinc/31/87/11/636318711.db2.gz KMROPEPYMMLXAX-HNNXBMFYSA-N 1 1 298.430 3.095 20 30 CGEDMO C#C[C@H]1CCC[N@H+](CC(=O)Nc2c(CC)cccc2CC)C1 ZINC000847028737 636318714 /nfs/dbraw/zinc/31/87/14/636318714.db2.gz KMROPEPYMMLXAX-HNNXBMFYSA-N 1 1 298.430 3.095 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000847029201 636319137 /nfs/dbraw/zinc/31/91/37/636319137.db2.gz LSGXRSTZFBFZHE-AWEZNQCLSA-N 1 1 266.344 3.187 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000847029201 636319141 /nfs/dbraw/zinc/31/91/41/636319141.db2.gz LSGXRSTZFBFZHE-AWEZNQCLSA-N 1 1 266.344 3.187 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+](C)[C@H](C)c1ccco1 ZINC000131105452 636557127 /nfs/dbraw/zinc/55/71/27/636557127.db2.gz JYBDDUZTJQLDTJ-CQSZACIVSA-N 1 1 269.344 3.485 20 30 CGEDMO C#CCOc1ccccc1C[N@H+](C)[C@H](C)c1ccco1 ZINC000131105452 636557133 /nfs/dbraw/zinc/55/71/33/636557133.db2.gz JYBDDUZTJQLDTJ-CQSZACIVSA-N 1 1 269.344 3.485 20 30 CGEDMO Clc1cccnc1N=NC1CCC[N@H+]2CCCC[C@@H]12 ZINC000848402481 636567436 /nfs/dbraw/zinc/56/74/36/636567436.db2.gz BCOQADPWWWZHPQ-ZDUSSCGKSA-N 1 1 278.787 3.151 20 30 CGEDMO C=CCC[C@@H]([NH2+]CCc1ccc2cn[nH]c2c1)[C@H]1CCCO1 ZINC000883220063 636593946 /nfs/dbraw/zinc/59/39/46/636593946.db2.gz DBDGIZNFQHEMKY-SJLPKXTDSA-N 1 1 299.418 3.209 20 30 CGEDMO C=CCC[C@H](Nc1cc(CCOC)cc[nH+]1)[C@@H]1CCCO1 ZINC000883221990 636596079 /nfs/dbraw/zinc/59/60/79/636596079.db2.gz LGDBGONXHBIGJA-HOTGVXAUSA-N 1 1 290.407 3.196 20 30 CGEDMO CCC[C@H](C)c1noc([C@H]([NH3+])CCCCC#N)n1 ZINC000848621868 636617416 /nfs/dbraw/zinc/61/74/16/636617416.db2.gz PDMGYIIUXXRODJ-WDEREUQCSA-N 1 1 250.346 3.057 20 30 CGEDMO Cc1ccc(F)c(-c2noc([C@H]([NH3+])CCCCC#N)n2)c1 ZINC000848627408 636622914 /nfs/dbraw/zinc/62/29/14/636622914.db2.gz MGPPDTFLKKVZQN-CYBMUJFWSA-N 1 1 288.326 3.268 20 30 CGEDMO COc1ccc(C2CC2)cc1C[NH2+]Cc1ccc(C#N)o1 ZINC000883258253 636628198 /nfs/dbraw/zinc/62/81/98/636628198.db2.gz VYFMPLAAIIGYHN-UHFFFAOYSA-N 1 1 282.343 3.327 20 30 CGEDMO C=CCCCCC[N@@H+](C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000131401420 636651736 /nfs/dbraw/zinc/65/17/36/636651736.db2.gz BONLUSAEFYDXEV-UHFFFAOYSA-N 1 1 280.372 3.044 20 30 CGEDMO C=CCCCCC[N@H+](C)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000131401420 636651740 /nfs/dbraw/zinc/65/17/40/636651740.db2.gz BONLUSAEFYDXEV-UHFFFAOYSA-N 1 1 280.372 3.044 20 30 CGEDMO COc1cccc2c1OCCC[C@@H]2[NH2+]Cc1ccc(C#N)o1 ZINC000883329589 636678025 /nfs/dbraw/zinc/67/80/25/636678025.db2.gz ODGZRZIWYNATDM-HNNXBMFYSA-N 1 1 298.342 3.163 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2c(C)nc3scc(C4CC4)n23)C1 ZINC000848924056 636695424 /nfs/dbraw/zinc/69/54/24/636695424.db2.gz MQJQEBNWJYHGST-ZDUSSCGKSA-N 1 1 299.443 3.427 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(O)c(OCC)c2)C1 ZINC000848923918 636695658 /nfs/dbraw/zinc/69/56/58/636695658.db2.gz LISLIVJUCPBIDE-GFCCVEGCSA-N 1 1 293.794 3.290 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(Cl)c(O)c(OCC)c2)C1 ZINC000848923918 636695660 /nfs/dbraw/zinc/69/56/60/636695660.db2.gz LISLIVJUCPBIDE-GFCCVEGCSA-N 1 1 293.794 3.290 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc(OC)cc2OC(F)F)C1 ZINC000848923916 636696269 /nfs/dbraw/zinc/69/62/69/636696269.db2.gz LIRAYEVPGZXVJI-LBPRGKRZSA-N 1 1 295.329 3.142 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(OC)cc2OC(F)F)C1 ZINC000848923916 636696273 /nfs/dbraw/zinc/69/62/73/636696273.db2.gz LIRAYEVPGZXVJI-LBPRGKRZSA-N 1 1 295.329 3.142 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCCCO3)C1 ZINC000848924738 636697419 /nfs/dbraw/zinc/69/74/19/636697419.db2.gz ZEAMYAWFKYGBHX-OAHLLOKOSA-N 1 1 285.387 3.083 20 30 CGEDMO Cc1cc(C[NH+]=C(Nc2ccccc2)N2CCCCC2)n[nH]1 ZINC000849007256 636712163 /nfs/dbraw/zinc/71/21/63/636712163.db2.gz FRLKHEAYJYYWDN-UHFFFAOYSA-N 1 1 297.406 3.172 20 30 CGEDMO CCOc1ccc(/C=N/C[C@@H]2CC[N@H+]2C(C)(C)C)c(O)c1 ZINC000849169989 636761746 /nfs/dbraw/zinc/76/17/46/636761746.db2.gz JEVXJPBBLZYQAI-BGARDKSCSA-N 1 1 290.407 3.083 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)CC1 ZINC000930178754 636889182 /nfs/dbraw/zinc/88/91/82/636889182.db2.gz HVUFXNKCWGQBLG-ZGUYJTEBSA-N 1 1 290.451 3.455 20 30 CGEDMO CC(C)CC(N)=[NH+]OCc1cccc(OC(C)C)c1 ZINC000109316896 637043815 /nfs/dbraw/zinc/04/38/15/637043815.db2.gz RBBDMIRZCKVPOM-UHFFFAOYSA-N 1 1 264.369 3.309 20 30 CGEDMO CC(C)CC(N)=[NH+]OCC(=O)Nc1ccc(C(C)C)cc1 ZINC000109316101 637043949 /nfs/dbraw/zinc/04/39/49/637043949.db2.gz BVKPUQRAHDZPIB-UHFFFAOYSA-N 1 1 291.395 3.083 20 30 CGEDMO C[C@H](CC(C)(C)C#N)OC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000851203512 637301079 /nfs/dbraw/zinc/30/10/79/637301079.db2.gz BDTMWLNJGBWUCY-MLGOLLRUSA-N 1 1 298.402 3.070 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H]1C[C@]12CCOC2 ZINC000885963732 637334617 /nfs/dbraw/zinc/33/46/17/637334617.db2.gz PXWCDHBKDSLKSC-AEFFLSMTSA-N 1 1 287.403 3.110 20 30 CGEDMO C#CC[N@@H+](C[C@@H]1C[C@@]12CCOC2)[C@@H]1CCc2ccccc21 ZINC000885965334 637334950 /nfs/dbraw/zinc/33/49/50/637334950.db2.gz MPOYCIQWFKQWAN-QXAKKESOSA-N 1 1 281.399 3.036 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886019201 637367279 /nfs/dbraw/zinc/36/72/79/637367279.db2.gz NYJHIWFBQSQYJG-UHFFFAOYSA-N 1 1 263.341 3.168 20 30 CGEDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886036622 637378587 /nfs/dbraw/zinc/37/85/87/637378587.db2.gz APDNKTDJZIGZNF-KBAYOESNSA-N 1 1 298.430 3.309 20 30 CGEDMO CC(C)C[C@@H]1CCC[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886040214 637381460 /nfs/dbraw/zinc/38/14/60/637381460.db2.gz UMURRHZLHNCZEH-JKSUJKDBSA-N 1 1 278.440 3.189 20 30 CGEDMO CC[N@@H+](C[C@H](O)CC1(C#N)CCC1)[C@@H]1CCCC[C@@H]1C ZINC000886157807 637440505 /nfs/dbraw/zinc/44/05/05/637440505.db2.gz LMBLLUXEGAOFAG-ARFHVFGLSA-N 1 1 278.440 3.332 20 30 CGEDMO Cc1ccc(C)c(C[N@@H+](C)C[C@H](O)CC2(C#N)CCC2)c1 ZINC000886171348 637446570 /nfs/dbraw/zinc/44/65/70/637446570.db2.gz FFVNRQQTNYGCDZ-QGZVFWFLSA-N 1 1 286.419 3.180 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)[C@@H]1CC[C@H](OC)C1 ZINC000851712397 637471030 /nfs/dbraw/zinc/47/10/30/637471030.db2.gz OEKUQJDWQYLYGA-OLZOCXBDSA-N 1 1 251.395 3.304 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CC[C@H](OC)C1 ZINC000851729916 637479686 /nfs/dbraw/zinc/47/96/86/637479686.db2.gz SAXJBIPPFDDFKJ-SJORKVTESA-N 1 1 272.392 3.338 20 30 CGEDMO CCC1(CC)CCC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886281325 637482693 /nfs/dbraw/zinc/48/26/93/637482693.db2.gz WJRQEADRNKVVRT-HNNXBMFYSA-N 1 1 278.440 3.333 20 30 CGEDMO C#CC[N@@H+](Cc1cccc(F)n1)[C@H]1CCc2ccccc21 ZINC000851735388 637484201 /nfs/dbraw/zinc/48/42/01/637484201.db2.gz DTMTXRJXCVPKPV-KRWDZBQOSA-N 1 1 280.346 3.343 20 30 CGEDMO C#CC[N@H+](Cc1cccc(F)n1)[C@H]1CCc2ccccc21 ZINC000851735388 637484205 /nfs/dbraw/zinc/48/42/05/637484205.db2.gz DTMTXRJXCVPKPV-KRWDZBQOSA-N 1 1 280.346 3.343 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)CC[C@@H]1COC(C)(C)O1 ZINC000851798645 637506628 /nfs/dbraw/zinc/50/66/28/637506628.db2.gz SILRVQJPUKYBIN-OAHLLOKOSA-N 1 1 282.428 3.180 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2C(C)C)C1 ZINC000886353158 637509862 /nfs/dbraw/zinc/50/98/62/637509862.db2.gz CNLZDVTWQUDOAM-OAHLLOKOSA-N 1 1 284.403 3.094 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2nc(-c3ccccc3)oc2C)C1 ZINC000886353657 637509923 /nfs/dbraw/zinc/50/99/23/637509923.db2.gz MYXIDSBXXCXNIW-OAHLLOKOSA-N 1 1 280.371 3.495 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cc(=O)oc3c(C)c(C)ccc23)C1 ZINC000886360399 637513125 /nfs/dbraw/zinc/51/31/25/637513125.db2.gz VROIRGRCQPUZIH-HNNXBMFYSA-N 1 1 295.382 3.255 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(C(C)C)nc2C)C1 ZINC000886365935 637515689 /nfs/dbraw/zinc/51/56/89/637515689.db2.gz SXDDAQZNFIXPKC-OAHLLOKOSA-N 1 1 256.393 3.359 20 30 CGEDMO Cc1ccccc1[C@@H](CO)[N@H+](C)Cc1ccccc1C#N ZINC000886431873 637531023 /nfs/dbraw/zinc/53/10/23/637531023.db2.gz JCSDSLNRXUSJCC-GOSISDBHSA-N 1 1 280.371 3.032 20 30 CGEDMO Cc1ccccc1[C@@H](CO)[N@@H+](C)Cc1ccccc1C#N ZINC000886431873 637531049 /nfs/dbraw/zinc/53/10/49/637531049.db2.gz JCSDSLNRXUSJCC-GOSISDBHSA-N 1 1 280.371 3.032 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000851977835 637563674 /nfs/dbraw/zinc/56/36/74/637563674.db2.gz HHQSFVLEEZQJDP-UHFFFAOYSA-N 1 1 261.674 3.424 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+]Cc1ncc(-c2ccc(F)cc2)o1 ZINC000852098360 637593256 /nfs/dbraw/zinc/59/32/56/637593256.db2.gz LBPWFPDBMKRWKL-INIZCTEOSA-N 1 1 272.323 3.372 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+]Cc1csc([C@@H](C)OCC)n1 ZINC000852102271 637595414 /nfs/dbraw/zinc/59/54/14/637595414.db2.gz KLRDWLSZQAGXBN-RISCZKNCSA-N 1 1 266.410 3.132 20 30 CGEDMO C#CCOCC[N@H+](C(C)C)[C@@H](C)c1ccsc1 ZINC000852184015 637611617 /nfs/dbraw/zinc/61/16/17/637611617.db2.gz DNZNWGLNGUKESG-ZDUSSCGKSA-N 1 1 251.395 3.169 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)c(F)c2)C1 ZINC000852408965 637646616 /nfs/dbraw/zinc/64/66/16/637646616.db2.gz DMTDZEOQNMUPKS-MLGOLLRUSA-N 1 1 281.346 3.286 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](C[C@@H](O)c2ccccc2C)C1 ZINC000852410036 637646740 /nfs/dbraw/zinc/64/67/40/637646740.db2.gz GJHDUWHIDITCRL-NVXWUHKLSA-N 1 1 259.393 3.317 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](Cc2nc(C)cs2)C1 ZINC000886693542 637658877 /nfs/dbraw/zinc/65/88/77/637658877.db2.gz DFQVXJKSHXCOLH-ZDUSSCGKSA-N 1 1 250.411 3.282 20 30 CGEDMO C=CC[N@@H+](C[C@H](O)c1cccc(F)c1)C(C)(C)C ZINC000852553750 637676796 /nfs/dbraw/zinc/67/67/96/637676796.db2.gz VNKVINQMQWDDAT-AWEZNQCLSA-N 1 1 251.345 3.146 20 30 CGEDMO C=CCC1(O)CC[NH+](Cc2nsc3ccccc32)CC1 ZINC000886778744 637685571 /nfs/dbraw/zinc/68/55/71/637685571.db2.gz RSVLROQALPKZLK-UHFFFAOYSA-N 1 1 288.416 3.199 20 30 CGEDMO C=CCOCC[N@H+]1Cc2ccccc2OC2(CCC2)C1 ZINC000887150176 637764516 /nfs/dbraw/zinc/76/45/16/637764516.db2.gz ZQFOFMDZKNERES-UHFFFAOYSA-N 1 1 273.376 3.006 20 30 CGEDMO C#Cc1cccnc1N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000853228184 637788028 /nfs/dbraw/zinc/78/80/28/637788028.db2.gz GNJYRKOMYTVUKE-CRAIPNDOSA-N 1 1 291.398 3.310 20 30 CGEDMO C=CC[C@H](Nc1ccc([NH+]2CCCC2)cc1C)C(=O)OC ZINC000887308978 637793399 /nfs/dbraw/zinc/79/33/99/637793399.db2.gz HKSTVIVAUGUBLW-INIZCTEOSA-N 1 1 288.391 3.125 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cn2ccc(-c3ccccc3)n2)C1 ZINC000853525217 637861205 /nfs/dbraw/zinc/86/12/05/637861205.db2.gz UGLGSBSWYNILHI-HNNXBMFYSA-N 1 1 280.375 3.133 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cn2ccc(-c3ccccc3)n2)C1 ZINC000853525217 637861207 /nfs/dbraw/zinc/86/12/07/637861207.db2.gz UGLGSBSWYNILHI-HNNXBMFYSA-N 1 1 280.375 3.133 20 30 CGEDMO CC(=NOCCc1c[nH+]cn1C)c1cc2ccccc2o1 ZINC000853643623 637880042 /nfs/dbraw/zinc/88/00/42/637880042.db2.gz KSOALBZDRBTGMW-UHFFFAOYSA-N 1 1 283.331 3.150 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000857201276 638472379 /nfs/dbraw/zinc/47/23/79/638472379.db2.gz UBTKOAUWRCKFOW-JKSUJKDBSA-N 1 1 298.430 3.195 20 30 CGEDMO C=CCC[C@H]([NH2+][C@H](C)c1cnn(C)n1)c1ccccc1 ZINC000925579534 638535865 /nfs/dbraw/zinc/53/58/65/638535865.db2.gz MAIZXNRVQATTSI-HIFRSBDPSA-N 1 1 270.380 3.173 20 30 CGEDMO C=CCN(C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)(C)C ZINC000857654279 638546402 /nfs/dbraw/zinc/54/64/02/638546402.db2.gz PVBOKTYCGSVMFM-INIZCTEOSA-N 1 1 284.419 3.012 20 30 CGEDMO N#CCc1ccc(CN[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1 ZINC000925704163 638572157 /nfs/dbraw/zinc/57/21/57/638572157.db2.gz IMHXOHDGRZOXTM-RTBURBONSA-N 1 1 297.446 3.011 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858050511 638621900 /nfs/dbraw/zinc/62/19/00/638621900.db2.gz GDXAMNVHODBOSQ-CJNGLKHVSA-N 1 1 285.391 3.104 20 30 CGEDMO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1COc2cc(F)cc(F)c21 ZINC000926141983 638720877 /nfs/dbraw/zinc/72/08/77/638720877.db2.gz GQNUQSFOFSZZOL-BXKDBHETSA-N 1 1 280.318 3.316 20 30 CGEDMO C[C@H](CC(C)(C)C#N)[NH2+]Cc1ncc(Cl)s1 ZINC000926828147 638815653 /nfs/dbraw/zinc/81/56/53/638815653.db2.gz CBWPGUQAUZHLDM-MRVPVSSYSA-N 1 1 257.790 3.214 20 30 CGEDMO C=CCn1ncc2ccc(N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc21 ZINC000927068268 638837642 /nfs/dbraw/zinc/83/76/42/638837642.db2.gz UBCBTJSXHBAEME-XJKSGUPXSA-N 1 1 284.407 3.117 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](C)Cc1ccco1 ZINC000929138581 638902297 /nfs/dbraw/zinc/90/22/97/638902297.db2.gz MJHYSCKYWXMJDU-UHFFFAOYSA-N 1 1 254.333 3.400 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCC2(CCC2)O1 ZINC000929164176 638904079 /nfs/dbraw/zinc/90/40/79/638904079.db2.gz KKZQWIXXCVROGC-KRWDZBQOSA-N 1 1 284.403 3.482 20 30 CGEDMO CCOC(=O)[C@@H]1CCCC[N@@H+]1CCCCC1(C#N)CCC1 ZINC000929237659 638911311 /nfs/dbraw/zinc/91/13/11/638911311.db2.gz LOWAIWZRSHIKGH-HNNXBMFYSA-N 1 1 292.423 3.268 20 30 CGEDMO CCOC(=O)[C@@H]1CCCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000929237659 638911314 /nfs/dbraw/zinc/91/13/14/638911314.db2.gz LOWAIWZRSHIKGH-HNNXBMFYSA-N 1 1 292.423 3.268 20 30 CGEDMO CC[C@H]1CO[C@H](C)C[N@H+]1CCCCC1(C#N)CCC1 ZINC000929270307 638913760 /nfs/dbraw/zinc/91/37/60/638913760.db2.gz NLMXDVWUFBLDMD-CABCVRRESA-N 1 1 264.413 3.350 20 30 CGEDMO N#Cc1cncc(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c1 ZINC000929322339 638918612 /nfs/dbraw/zinc/91/86/12/638918612.db2.gz IKSXOJDSBUSXSJ-GOSISDBHSA-N 1 1 295.361 3.299 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](C)C[C@H]1CCCCO1 ZINC000929331017 638918939 /nfs/dbraw/zinc/91/89/39/638918939.db2.gz QVPHZVXOFGKDDQ-MRXNPFEDSA-N 1 1 272.392 3.176 20 30 CGEDMO C=CC[N@H+](CCCCCNC(C)=O)Cc1ccccc1F ZINC000929328598 638919209 /nfs/dbraw/zinc/91/92/09/638919209.db2.gz SJCPCLCQWHYMSR-UHFFFAOYSA-N 1 1 292.398 3.120 20 30 CGEDMO C[N@H+](CCCCC1(C#N)CCC1)Cc1cscn1 ZINC000929344255 638920505 /nfs/dbraw/zinc/92/05/05/638920505.db2.gz SKNXWWRCTKSPSJ-UHFFFAOYSA-N 1 1 263.410 3.439 20 30 CGEDMO C[N@@H+](CCCCC1(C#N)CCC1)Cc1cscn1 ZINC000929344255 638920507 /nfs/dbraw/zinc/92/05/07/638920507.db2.gz SKNXWWRCTKSPSJ-UHFFFAOYSA-N 1 1 263.410 3.439 20 30 CGEDMO COC/C(C)=C\C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000929758447 638948138 /nfs/dbraw/zinc/94/81/38/638948138.db2.gz ZDERIDOTMIRYHY-XPOZHUGYSA-N 1 1 284.403 3.351 20 30 CGEDMO COC/C(C)=C\C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000929758447 638948139 /nfs/dbraw/zinc/94/81/39/638948139.db2.gz ZDERIDOTMIRYHY-XPOZHUGYSA-N 1 1 284.403 3.351 20 30 CGEDMO CCC[C@@]1(C)CCC[N@@H+](Cc2cncc(C#N)c2)C1 ZINC000929760473 638948344 /nfs/dbraw/zinc/94/83/44/638948344.db2.gz SVJHBUMKMHCWOF-INIZCTEOSA-N 1 1 257.381 3.355 20 30 CGEDMO COc1cccc(C[N@H+](CCC#N)CC2CC2)c1C ZINC000929774741 638949326 /nfs/dbraw/zinc/94/93/26/638949326.db2.gz DKLYHROSOHPBIG-UHFFFAOYSA-N 1 1 258.365 3.129 20 30 CGEDMO COc1cccc(C[N@@H+](CCC#N)CC2CC2)c1C ZINC000929774741 638949327 /nfs/dbraw/zinc/94/93/27/638949327.db2.gz DKLYHROSOHPBIG-UHFFFAOYSA-N 1 1 258.365 3.129 20 30 CGEDMO CCOC[C@H]1CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000929778958 638950504 /nfs/dbraw/zinc/95/05/04/638950504.db2.gz LFMGDRVOUWOIMF-HNNXBMFYSA-N 1 1 264.413 3.209 20 30 CGEDMO C[N@H+](Cc1ccc(Cl)nc1)CC1CCC(C#N)CC1 ZINC000929785636 638951613 /nfs/dbraw/zinc/95/16/13/638951613.db2.gz BYTABDZVINBQDJ-UHFFFAOYSA-N 1 1 277.799 3.497 20 30 CGEDMO C[C@H]1C[N@H+](Cc2cncc(C#N)c2)[C@H]1c1ccccc1 ZINC000929788442 638951943 /nfs/dbraw/zinc/95/19/43/638951943.db2.gz RONWRUYFTOLSOH-SUMWQHHRSA-N 1 1 263.344 3.146 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cncc(C#N)c2)[C@H]1c1ccccc1 ZINC000929788442 638951945 /nfs/dbraw/zinc/95/19/45/638951945.db2.gz RONWRUYFTOLSOH-SUMWQHHRSA-N 1 1 263.344 3.146 20 30 CGEDMO CC1(C)C[N@@H+](CC2CCC(C#N)CC2)CCS1 ZINC000929813001 638953766 /nfs/dbraw/zinc/95/37/66/638953766.db2.gz OOEMVBWJWGQNTG-UHFFFAOYSA-N 1 1 252.427 3.144 20 30 CGEDMO N#Cc1cncc(C[N@@H+](CCC(F)(F)F)CC2CC2)c1 ZINC000929818709 638954387 /nfs/dbraw/zinc/95/43/87/638954387.db2.gz UUNNCUOHIASCMD-UHFFFAOYSA-N 1 1 283.297 3.118 20 30 CGEDMO N#CC1CCC(C[N@@H+]2CCc3ccc(O)cc3CC2)CC1 ZINC000929956730 638964233 /nfs/dbraw/zinc/96/42/33/638964233.db2.gz WUMNMQHQQBGLJC-UHFFFAOYSA-N 1 1 284.403 3.123 20 30 CGEDMO C[N@@H+](CCCCC1(C#N)CCC1)CCCn1ccnc1 ZINC000930126326 638976161 /nfs/dbraw/zinc/97/61/61/638976161.db2.gz ROZJBBQMWCLFJI-UHFFFAOYSA-N 1 1 274.412 3.069 20 30 CGEDMO CC(C)(C)[C@@H]1C[N@@H+](CC2CCC(C#N)CC2)CCO1 ZINC000930268935 638987563 /nfs/dbraw/zinc/98/75/63/638987563.db2.gz SXSNZROIVJRLNE-NRXISQOPSA-N 1 1 264.413 3.063 20 30 CGEDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1CC1CCC(C#N)CC1 ZINC000930456003 639001764 /nfs/dbraw/zinc/00/17/64/639001764.db2.gz SFXHXPPICHNTPA-VXLLPVPCSA-N 1 1 278.440 3.332 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1cnc(N(C)C)c2ccccc12 ZINC000930692979 639053413 /nfs/dbraw/zinc/05/34/13/639053413.db2.gz KZQHYTRCUAQXQD-AWEZNQCLSA-N 1 1 282.391 3.083 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)o2)C1 ZINC000930885266 639082923 /nfs/dbraw/zinc/08/29/23/639082923.db2.gz LYFIPUUOOFQKMP-AWEZNQCLSA-N 1 1 266.344 3.187 20 30 CGEDMO CC(C)([NH2+]Cc1c(F)cncc1F)c1cccc(C#N)c1 ZINC000930931399 639087943 /nfs/dbraw/zinc/08/79/43/639087943.db2.gz VHHXOMZNDJEZHY-UHFFFAOYSA-N 1 1 287.313 3.256 20 30 CGEDMO C=CCCc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC000931288532 639130433 /nfs/dbraw/zinc/13/04/33/639130433.db2.gz MYGZCCCUHBRTKI-DZGCQCFKSA-N 1 1 287.407 3.019 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000859446437 639142800 /nfs/dbraw/zinc/14/28/00/639142800.db2.gz ZWZNNWLZBVTNNG-IAQYHMDHSA-N 1 1 283.774 3.411 20 30 CGEDMO N#CCCCC[N@@H+]1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000931395314 639144894 /nfs/dbraw/zinc/14/48/94/639144894.db2.gz SUQUGZDRHZDDNA-KRWDZBQOSA-N 1 1 298.365 3.190 20 30 CGEDMO N#CCCCC[N@H+]1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000931395314 639144897 /nfs/dbraw/zinc/14/48/97/639144897.db2.gz SUQUGZDRHZDDNA-KRWDZBQOSA-N 1 1 298.365 3.190 20 30 CGEDMO C[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)Cc2c[nH]nc21 ZINC000931461408 639155076 /nfs/dbraw/zinc/15/50/76/639155076.db2.gz DRHBERJHMZGPQZ-ZDUSSCGKSA-N 1 1 272.396 3.193 20 30 CGEDMO CO[C@H]1CC[C@@H](C)[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000931474549 639157667 /nfs/dbraw/zinc/15/76/67/639157667.db2.gz GCEKWAKOFJPIHD-CABCVRRESA-N 1 1 264.413 3.350 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000931506464 639161596 /nfs/dbraw/zinc/16/15/96/639161596.db2.gz ZSEAFSUUSVJYAQ-WDSOQIARSA-N 1 1 298.430 3.301 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](C[C@H]2CCc3ccccc3C2)C1 ZINC000932153681 639276255 /nfs/dbraw/zinc/27/62/55/639276255.db2.gz QLKKKKKNCTYAGQ-GJZGRUSLSA-N 1 1 254.377 3.027 20 30 CGEDMO C=CCCCC[N@H+](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000860099849 639282510 /nfs/dbraw/zinc/28/25/10/639282510.db2.gz IWSIQFNIQKLRCP-ZDUSSCGKSA-N 1 1 270.417 3.188 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000932203646 639295039 /nfs/dbraw/zinc/29/50/39/639295039.db2.gz KZSMUPZJTXXOEN-QGZVFWFLSA-N 1 1 296.439 3.449 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@H]1c1ccnn1C ZINC000932264420 639304178 /nfs/dbraw/zinc/30/41/78/639304178.db2.gz YKJMWWSPLMACGF-SFHVURJKSA-N 1 1 294.402 3.246 20 30 CGEDMO C#CC[N@H+](Cc1ncc(-c2ccc(F)cc2)o1)C(C)C ZINC000932391457 639323841 /nfs/dbraw/zinc/32/38/41/639323841.db2.gz GPSIVVOSVUTCRF-UHFFFAOYSA-N 1 1 272.323 3.324 20 30 CGEDMO C#CC[N@@H+](Cc1ncc(-c2ccc(F)cc2)o1)C(C)C ZINC000932391457 639323847 /nfs/dbraw/zinc/32/38/47/639323847.db2.gz GPSIVVOSVUTCRF-UHFFFAOYSA-N 1 1 272.323 3.324 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC000932673740 639373825 /nfs/dbraw/zinc/37/38/25/639373825.db2.gz SOYZCOTUXNZCNR-GFCCVEGCSA-N 1 1 294.420 3.075 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1C[C@H](c2ccccc2)CC1(C)C ZINC000932906269 639398253 /nfs/dbraw/zinc/39/82/53/639398253.db2.gz VVFWFTGYNUYXJM-GDBMZVCRSA-N 1 1 272.392 3.183 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000933082856 639414708 /nfs/dbraw/zinc/41/47/08/639414708.db2.gz ARKODHBGEUZEJK-HNNXBMFYSA-N 1 1 264.413 3.065 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCC[C@H](C3CCOCC3)C2)cc1 ZINC000933089786 639415521 /nfs/dbraw/zinc/41/55/21/639415521.db2.gz WTRIXFSIGWOHHN-IBGZPJMESA-N 1 1 298.430 3.239 20 30 CGEDMO N#CCC[C@H](C#N)C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000933615088 639470248 /nfs/dbraw/zinc/47/02/48/639470248.db2.gz XBDBQLBAUCXJRL-MRXNPFEDSA-N 1 1 292.386 3.181 20 30 CGEDMO Cc1ccccc1C[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933622980 639470283 /nfs/dbraw/zinc/47/02/83/639470283.db2.gz OWWLCHJAMVNURK-LJQANCHMSA-N 1 1 292.382 3.440 20 30 CGEDMO CCCCC[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933628578 639472037 /nfs/dbraw/zinc/47/20/37/639472037.db2.gz ODSSILGXXZHWJN-MRXNPFEDSA-N 1 1 258.365 3.122 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933708838 639480433 /nfs/dbraw/zinc/48/04/33/639480433.db2.gz BBFFELDYAUBHAR-QWRGUYRKSA-N 1 1 285.313 3.249 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933717407 639483174 /nfs/dbraw/zinc/48/31/74/639483174.db2.gz XPWRSMWUNYIWSP-NSHDSACASA-N 1 1 285.313 3.251 20 30 CGEDMO C[N@@H+](CCCOC(C)(C)C)Cc1cc(C#N)cs1 ZINC000933777714 639489633 /nfs/dbraw/zinc/48/96/33/639489633.db2.gz NXWPXFKOQNRPJH-UHFFFAOYSA-N 1 1 266.410 3.257 20 30 CGEDMO COc1ccc(C[N@H+](Cc2ccoc2)C2CC2)cc1C#N ZINC000934001438 639519933 /nfs/dbraw/zinc/51/99/33/639519933.db2.gz CIFLQAIXNDTOPY-UHFFFAOYSA-N 1 1 282.343 3.324 20 30 CGEDMO COc1ccc(C[N@@H+](Cc2ccoc2)C2CC2)cc1C#N ZINC000934001438 639519937 /nfs/dbraw/zinc/51/99/37/639519937.db2.gz CIFLQAIXNDTOPY-UHFFFAOYSA-N 1 1 282.343 3.324 20 30 CGEDMO C=CCCN(C)C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC000934080537 639531751 /nfs/dbraw/zinc/53/17/51/639531751.db2.gz WYFLZHJSVKHEEB-UHFFFAOYSA-N 1 1 288.395 3.112 20 30 CGEDMO COc1ccc([C@@H]2CCC[N@H+]2CCC(C)(C)C#N)nc1 ZINC000934343753 639590923 /nfs/dbraw/zinc/59/09/23/639590923.db2.gz ONAQWZCSMINUEU-HNNXBMFYSA-N 1 1 273.380 3.167 20 30 CGEDMO C[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)[C@H]1CC[C@H](C#N)C1 ZINC000934415204 639604905 /nfs/dbraw/zinc/60/49/05/639604905.db2.gz MWOJMRIBKOZTMT-BBRMVZONSA-N 1 1 280.375 3.201 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000934465491 639613384 /nfs/dbraw/zinc/61/33/84/639613384.db2.gz MFXGLYFITHUCGR-CYBMUJFWSA-N 1 1 278.302 3.310 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000934465491 639613388 /nfs/dbraw/zinc/61/33/88/639613388.db2.gz MFXGLYFITHUCGR-CYBMUJFWSA-N 1 1 278.302 3.310 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000934468722 639613493 /nfs/dbraw/zinc/61/34/93/639613493.db2.gz HYIGOFWOMYVAMC-AWEZNQCLSA-N 1 1 254.333 3.091 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1[C@H](CC)C(=O)Nc1ccc(OC)cc1 ZINC000934471173 639616025 /nfs/dbraw/zinc/61/60/25/639616025.db2.gz HWPQZBVTQDWZRV-GOEBONIOSA-N 1 1 288.391 3.063 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1cccc(C(=O)OCC)n1 ZINC000934648370 639650386 /nfs/dbraw/zinc/65/03/86/639650386.db2.gz YTUKGSXUMBVNIR-UHFFFAOYSA-N 1 1 276.380 3.046 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)s1 ZINC000934834303 639684470 /nfs/dbraw/zinc/68/44/70/639684470.db2.gz PTNVKDZIHGTXMV-UONOGXRCSA-N 1 1 290.432 3.258 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000934838419 639686472 /nfs/dbraw/zinc/68/64/72/639686472.db2.gz PDTBPXHFLSBMHV-QZTJIDSGSA-N 1 1 284.403 3.197 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000934839259 639688342 /nfs/dbraw/zinc/68/83/42/639688342.db2.gz VZXZDRXBXITGSW-MOPGFXCFSA-N 1 1 283.415 3.177 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000935002127 639729930 /nfs/dbraw/zinc/72/99/30/639729930.db2.gz DRLZQODEERQUEF-JKSUJKDBSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000935011718 639731140 /nfs/dbraw/zinc/73/11/40/639731140.db2.gz KPSCIQYITRTKQC-VYDXJSESSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000076017531 640166163 /nfs/dbraw/zinc/16/61/63/640166163.db2.gz IQCKJSUIPCYAJS-LBPRGKRZSA-N 1 1 288.819 3.070 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000076017531 640166168 /nfs/dbraw/zinc/16/61/68/640166168.db2.gz IQCKJSUIPCYAJS-LBPRGKRZSA-N 1 1 288.819 3.070 20 30 CGEDMO NC(=[NH+]OCc1cccnc1)C12CC3CC(CC(C3)C1)C2 ZINC000193571625 640475853 /nfs/dbraw/zinc/47/58/53/640475853.db2.gz MAGKNVSAPQXLJG-UHFFFAOYSA-N 1 1 285.391 3.087 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000093533581 640775028 /nfs/dbraw/zinc/77/50/28/640775028.db2.gz DRPDHDYTESKSSP-AWEZNQCLSA-N 1 1 258.365 3.375 20 30 CGEDMO CCN(CC)[C@H](C)CNC(=[NH2+])Nc1cccc(C(C)C)c1 ZINC000303886133 640847685 /nfs/dbraw/zinc/84/76/85/640847685.db2.gz KCIXEQPUWYEAJC-CQSZACIVSA-N 1 1 290.455 3.267 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001007327177 640941337 /nfs/dbraw/zinc/94/13/37/640941337.db2.gz LJNSRHULZZCYCT-HOTGVXAUSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccoc2CCC)C1 ZINC001009195781 640956282 /nfs/dbraw/zinc/95/62/82/640956282.db2.gz OKMWBRGNXAXUGE-AWEZNQCLSA-N 1 1 290.407 3.002 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001009750650 640962536 /nfs/dbraw/zinc/96/25/36/640962536.db2.gz RZAKINMRWKAQLV-AWEZNQCLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(F)s2)C1 ZINC001009702640 640963621 /nfs/dbraw/zinc/96/36/21/640963621.db2.gz LIQWGYREWWHQSW-GFCCVEGCSA-N 1 1 296.411 3.048 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2CCCCCC2)C1 ZINC001010368768 640968063 /nfs/dbraw/zinc/96/80/63/640968063.db2.gz GHHOWKNEKSCNJN-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cccc(Cl)c2C)C1 ZINC001014513316 640974031 /nfs/dbraw/zinc/97/40/31/640974031.db2.gz GEAVKMPRENWWRI-ZDUSSCGKSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2oc3ccccc3c2C)C1 ZINC001016181545 640994110 /nfs/dbraw/zinc/99/41/10/640994110.db2.gz UNNVJISZERFFPQ-CQSZACIVSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(C)(C)C ZINC001017795969 641016534 /nfs/dbraw/zinc/01/65/34/641016534.db2.gz IJZZABSGPOOLLH-GASCZTMLSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(C)(C)C ZINC001017795969 641016540 /nfs/dbraw/zinc/01/65/40/641016540.db2.gz IJZZABSGPOOLLH-GASCZTMLSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]1CC ZINC001017903624 641018863 /nfs/dbraw/zinc/01/88/63/641018863.db2.gz ZAPIFRGFRBOBAO-NXOAAHMSSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)cc(C)cc1C ZINC001018243714 641021001 /nfs/dbraw/zinc/02/10/01/641021001.db2.gz OMXQJLILZQOWES-CALCHBBNSA-N 1 1 298.430 3.087 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)cc(C)cc1C ZINC001018243714 641021005 /nfs/dbraw/zinc/02/10/05/641021005.db2.gz OMXQJLILZQOWES-CALCHBBNSA-N 1 1 298.430 3.087 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C2CC2)c1 ZINC001018317174 641022081 /nfs/dbraw/zinc/02/20/81/641022081.db2.gz PLNBJKWGEITCRD-HDICACEKSA-N 1 1 296.414 3.039 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C2CC2)c1 ZINC001018317174 641022087 /nfs/dbraw/zinc/02/20/87/641022087.db2.gz PLNBJKWGEITCRD-HDICACEKSA-N 1 1 296.414 3.039 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1cccc2cc[nH]c21 ZINC001155378268 805576853 /nfs/dbraw/zinc/57/68/53/805576853.db2.gz HHDMZBBMFVZZJT-CQSZACIVSA-N 1 1 299.418 3.184 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)CC[C@H](C)F ZINC001155489759 805586048 /nfs/dbraw/zinc/58/60/48/805586048.db2.gz LIZJISIHNDWZAJ-UONOGXRCSA-N 1 1 286.435 3.163 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](CCC)C(C)C ZINC001155547157 805589951 /nfs/dbraw/zinc/58/99/51/805589951.db2.gz PCUUACIXRCURMW-HZPDHXFCSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1csc(Cl)c1 ZINC001155631058 805598049 /nfs/dbraw/zinc/59/80/49/805598049.db2.gz ICDBDBGKXSDQFI-SNVBAGLBSA-N 1 1 286.828 3.028 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)CCC(C)(C)C ZINC001156366298 805677064 /nfs/dbraw/zinc/67/70/64/805677064.db2.gz FHKSTOAGSWFFDG-LSDHHAIUSA-N 1 1 282.472 3.461 20 30 CGEDMO Cc1ccc(CC#N)c(NCCc2ccsc2)[nH+]1 ZINC001156523928 805710182 /nfs/dbraw/zinc/71/01/82/805710182.db2.gz ZAEWUCXDNIJJPS-UHFFFAOYSA-N 1 1 257.362 3.172 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)CCCCC ZINC001157041491 805768237 /nfs/dbraw/zinc/76/82/37/805768237.db2.gz OYSRXPOSTUGGDQ-OAHLLOKOSA-N 1 1 280.456 3.053 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1c(C)cccc1F ZINC001157307613 805795122 /nfs/dbraw/zinc/79/51/22/805795122.db2.gz LPODYORFKLLSAF-CQSZACIVSA-N 1 1 292.398 3.150 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)C=C(C)C ZINC001157498734 805824555 /nfs/dbraw/zinc/82/45/55/805824555.db2.gz GXUIWVKVZVNPAW-MRXNPFEDSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)C/C=C\Cl ZINC001157662017 805847506 /nfs/dbraw/zinc/84/75/06/805847506.db2.gz UGQDMYODEXKZEA-JKEYDSJLSA-N 1 1 284.831 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC1(C)C ZINC001157818457 805877757 /nfs/dbraw/zinc/87/77/57/805877757.db2.gz LVMLRKMTGLWMAL-KGLIPLIRSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC1(C)C ZINC001157818457 805877765 /nfs/dbraw/zinc/87/77/65/805877765.db2.gz LVMLRKMTGLWMAL-KGLIPLIRSA-N 1 1 298.858 3.098 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CC1(C)CC1 ZINC001158238693 805930114 /nfs/dbraw/zinc/93/01/14/805930114.db2.gz YYZCOESDJRBLEN-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cocc1C ZINC001158322163 805937456 /nfs/dbraw/zinc/93/74/56/805937456.db2.gz RPUBCHSDASLBIA-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)c1cocc1C ZINC001158322187 805937834 /nfs/dbraw/zinc/93/78/34/805937834.db2.gz SPQNWANTZFXWCQ-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1CC=CCC1 ZINC001158322216 805938185 /nfs/dbraw/zinc/93/81/85/805938185.db2.gz UHVDOIVENHJYIA-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cc(C)co1 ZINC001158357321 805945154 /nfs/dbraw/zinc/94/51/54/805945154.db2.gz FEQUXMRDFUROQW-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C#CCOC[C@H](O)C[N@H+](C)CCCCCCCCCC ZINC001251858280 805945928 /nfs/dbraw/zinc/94/59/28/805945928.db2.gz VAUBAYCSTONTEJ-QGZVFWFLSA-N 1 1 283.456 3.070 20 30 CGEDMO CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC(CC)CC ZINC001158667560 805982344 /nfs/dbraw/zinc/98/23/44/805982344.db2.gz TYCQKCWPRXNENZ-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC12CCCC2 ZINC001158714550 805988559 /nfs/dbraw/zinc/98/85/59/805988559.db2.gz SWWXAYIYBCFVTQ-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C#C[C@@](C)(CC)Nc1cc(OC)c2ccccc2[nH+]1 ZINC001158742338 805994695 /nfs/dbraw/zinc/99/46/95/805994695.db2.gz DWULPJSQAAOBIZ-INIZCTEOSA-N 1 1 254.333 3.457 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CC[C@]2(CCCO2)C1 ZINC001252124141 806010661 /nfs/dbraw/zinc/01/06/61/806010661.db2.gz OXOWEWOFKAONGL-DLBZAZTESA-N 1 1 283.456 3.353 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@@H](CO)CC1 ZINC001252123341 806010918 /nfs/dbraw/zinc/01/09/18/806010918.db2.gz GGWYGNRROITZFM-SJORKVTESA-N 1 1 285.472 3.192 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC001252123791 806011098 /nfs/dbraw/zinc/01/10/98/806011098.db2.gz LYYWIWDFJCVKCS-LSDHHAIUSA-N 1 1 269.429 3.009 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCC(=O)[C@@H](C)C1 ZINC001252123791 806011108 /nfs/dbraw/zinc/01/11/08/806011108.db2.gz LYYWIWDFJCVKCS-LSDHHAIUSA-N 1 1 269.429 3.009 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+](CC)CCC#N ZINC001252129118 806015421 /nfs/dbraw/zinc/01/54/21/806015421.db2.gz WUSVOYWQCVXUDA-OAHLLOKOSA-N 1 1 254.418 3.333 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+](CC)CCC#N ZINC001252129118 806015426 /nfs/dbraw/zinc/01/54/26/806015426.db2.gz WUSVOYWQCVXUDA-OAHLLOKOSA-N 1 1 254.418 3.333 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@H]1C(C)(C)O ZINC001252130849 806016868 /nfs/dbraw/zinc/01/68/68/806016868.db2.gz ZEVXZUHRMOWRST-CVEARBPZSA-N 1 1 285.472 3.333 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCN(CC)[C@H](C)C1 ZINC001252134950 806020775 /nfs/dbraw/zinc/02/07/75/806020775.db2.gz ZSUMZMPXAZCFNM-SJORKVTESA-N 1 1 284.488 3.124 20 30 CGEDMO CCCCCCCC[C@H](O)CN1CC[N@H+](CC)[C@H](C)C1 ZINC001252134950 806020786 /nfs/dbraw/zinc/02/07/86/806020786.db2.gz ZSUMZMPXAZCFNM-SJORKVTESA-N 1 1 284.488 3.124 20 30 CGEDMO CCCCCCCC[C@H](O)CN1CC[N@@H+](CC)[C@H](C)C1 ZINC001252134950 806020799 /nfs/dbraw/zinc/02/07/99/806020799.db2.gz ZSUMZMPXAZCFNM-SJORKVTESA-N 1 1 284.488 3.124 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+]1CCC[C@H]1c1c(F)cccc1F ZINC001252557732 806063992 /nfs/dbraw/zinc/06/39/92/806063992.db2.gz KHHJBWLTQZMDKW-DZGCQCFKSA-N 1 1 267.319 3.039 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC001252558165 806064382 /nfs/dbraw/zinc/06/43/82/806064382.db2.gz NBBOTXVQQCRISY-HUUCEWRRSA-N 1 1 267.319 3.039 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1c1ccccc1F ZINC001252599916 806080213 /nfs/dbraw/zinc/08/02/13/806080213.db2.gz OIQGOKPKOBYNSF-XJKSGUPXSA-N 1 1 263.356 3.290 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccccc1F ZINC001252599915 806081572 /nfs/dbraw/zinc/08/15/72/806081572.db2.gz OIQGOKPKOBYNSF-CZUORRHYSA-N 1 1 263.356 3.290 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC001253235391 806188368 /nfs/dbraw/zinc/18/83/68/806188368.db2.gz LDTOJYUMPYPXNB-ROUUACIJSA-N 1 1 295.467 3.376 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@](C)(CO)CC1 ZINC001253233979 806189037 /nfs/dbraw/zinc/18/90/37/806189037.db2.gz RHVWNWGTEQRKJB-ROUUACIJSA-N 1 1 297.483 3.358 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+](CC)CCC#N ZINC001253239841 806190081 /nfs/dbraw/zinc/19/00/81/806190081.db2.gz UCJCMZAJHIYAKU-HNNXBMFYSA-N 1 1 252.402 3.109 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+](CC)CCC#N ZINC001253239841 806190087 /nfs/dbraw/zinc/19/00/87/806190087.db2.gz UCJCMZAJHIYAKU-HNNXBMFYSA-N 1 1 252.402 3.109 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCC[C@]2(CCO2)C1 ZINC001253240239 806190487 /nfs/dbraw/zinc/19/04/87/806190487.db2.gz HOEMHOQLQGGCHB-IRXDYDNUSA-N 1 1 281.440 3.129 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+](C)CCSC ZINC001253242228 806191850 /nfs/dbraw/zinc/19/18/50/806191850.db2.gz JDLJGOKFCSTQHW-CQSZACIVSA-N 1 1 259.459 3.169 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC001253240718 806191916 /nfs/dbraw/zinc/19/19/16/806191916.db2.gz POWZSBAYCYRPNR-IAGOWNOFSA-N 1 1 283.456 3.231 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)C2CC(C)(C)C2)CC1 ZINC001160014432 806213235 /nfs/dbraw/zinc/21/32/35/806213235.db2.gz USVOMCSYOTXWMY-UHFFFAOYSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)NCCC1=CC[N@@H+](CCC)CC1 ZINC001160242456 806241117 /nfs/dbraw/zinc/24/11/17/806241117.db2.gz RTZPQKRNCOVWDR-UHFFFAOYSA-N 1 1 298.858 3.314 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)CCC(=C)C)CC1 ZINC001160264180 806245242 /nfs/dbraw/zinc/24/52/42/806245242.db2.gz HYLLDLJBPRDBJM-UHFFFAOYSA-N 1 1 276.424 3.057 20 30 CGEDMO C=C[C@H](O)C[N@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC001253584096 806263743 /nfs/dbraw/zinc/26/37/43/806263743.db2.gz JWQOEQIAZJOBIV-KBPBESRZSA-N 1 1 296.208 3.133 20 30 CGEDMO C=C[C@H](O)C[N@H+]1CC[C@@H](c2cccc(Cl)c2Cl)C1 ZINC001253578858 806264363 /nfs/dbraw/zinc/26/43/63/806264363.db2.gz ISTIKLBEMHQCIL-MNOVXSKESA-N 1 1 286.202 3.330 20 30 CGEDMO COC1CCC(CCNc2ccc(CC#N)c(C)[nH+]2)CC1 ZINC001160643509 806293278 /nfs/dbraw/zinc/29/32/78/806293278.db2.gz ITVNIMDYXDQAEK-UHFFFAOYSA-N 1 1 287.407 3.463 20 30 CGEDMO Cc1cc(C)c(CNc2[nH+]c(C)ccc2CC#N)c(O)c1 ZINC001160811209 806306324 /nfs/dbraw/zinc/30/63/24/806306324.db2.gz GUUUHSNAVOWMHI-UHFFFAOYSA-N 1 1 281.359 3.391 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1CNc1nccc2ccc(C#N)cc21 ZINC001160953010 806325441 /nfs/dbraw/zinc/32/54/41/806325441.db2.gz MLJFRNLLQAKBQF-INIZCTEOSA-N 1 1 292.386 3.169 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)C2(CC)CCC2)CC1 ZINC001160942151 806325464 /nfs/dbraw/zinc/32/54/64/806325464.db2.gz WPGHVHYKZCERCD-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=C[C@H](C)[C@@H](C)C(=O)NCCC1=CC[N@@H+](CC(=C)C)CC1 ZINC001160940287 806326216 /nfs/dbraw/zinc/32/62/16/806326216.db2.gz AUBSJYSKMNEBTC-JKSUJKDBSA-N 1 1 290.451 3.159 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1nnc(C)c2ccccc21 ZINC001160954063 806328249 /nfs/dbraw/zinc/32/82/49/806328249.db2.gz PEZOXHHGYBJVKK-AWEZNQCLSA-N 1 1 282.391 3.001 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)C[C@@H]2C[C@H]2C)CC1 ZINC001161113253 806350030 /nfs/dbraw/zinc/35/00/30/806350030.db2.gz PDJODEVHYGMCNF-WBVHZDCISA-N 1 1 290.451 3.137 20 30 CGEDMO N#CC1(c2ccc(N[C@H]3CC[N@H+](C4CCC4)C3)nc2)CCC1 ZINC001161176685 806355444 /nfs/dbraw/zinc/35/54/44/806355444.db2.gz AVSWGAPHEKPTMH-HNNXBMFYSA-N 1 1 296.418 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H](C)CC(C)C)CC1 ZINC001161579767 806395304 /nfs/dbraw/zinc/39/53/04/806395304.db2.gz ZBSCHNXXATUQNA-MRXNPFEDSA-N 1 1 292.467 3.383 20 30 CGEDMO O=C1C=C2C[N@@H+](C3CCc4ccccc4CC3)CCC2S1 ZINC001254458262 806410166 /nfs/dbraw/zinc/41/01/66/806410166.db2.gz NWCJPSBLYRWWTD-QGZVFWFLSA-N 1 1 299.439 3.208 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)[C@H](C)C2CCCC2)CC1 ZINC001161674239 806413888 /nfs/dbraw/zinc/41/38/88/806413888.db2.gz HZLZGZJUJMTJNE-OAHLLOKOSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC[N@@H+]([C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(C)(C)C ZINC001254612362 806461169 /nfs/dbraw/zinc/46/11/69/806461169.db2.gz VQUDUBDSJZAPRN-OAHLLOKOSA-N 1 1 274.364 3.349 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](C/C(C)=C/c2ccccc2)C1 ZINC001254645058 806470106 /nfs/dbraw/zinc/47/01/06/806470106.db2.gz FCAOGEZBANYHQU-OKACTXMXSA-N 1 1 257.377 3.367 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cc3cccc(OC)c3o2)C1 ZINC001254645834 806470408 /nfs/dbraw/zinc/47/04/08/806470408.db2.gz RPOVXVMEJCUOFF-CQSZACIVSA-N 1 1 287.359 3.218 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2nccc3ccccc32)C1 ZINC001254646250 806471970 /nfs/dbraw/zinc/47/19/70/806471970.db2.gz XRZBHUYOXVLTHB-HNNXBMFYSA-N 1 1 268.360 3.012 20 30 CGEDMO C#CC[N@@H+]([C@@H]1CC[C@@H](C#N)C1)[C@@H]1CCc2ccccc21 ZINC001254668783 806479252 /nfs/dbraw/zinc/47/92/52/806479252.db2.gz LCONOOSMDLPPIT-QGPMSJSTSA-N 1 1 264.372 3.301 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]CCN1CCC(Cc2ccccc2)CC1 ZINC001255152625 806554566 /nfs/dbraw/zinc/55/45/66/806554566.db2.gz ZHWRRFVGFPKDFU-IBGZPJMESA-N 1 1 299.462 3.223 20 30 CGEDMO CC[C@H](CC#N)[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl ZINC001255157447 806557932 /nfs/dbraw/zinc/55/79/32/806557932.db2.gz QWJISYMNYCQDNG-BXKDBHETSA-N 1 1 287.190 3.309 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1cccc(N2CCCCCC2=O)c1 ZINC001255161277 806559272 /nfs/dbraw/zinc/55/92/72/806559272.db2.gz XPCGKFNIHAAVSV-MRXNPFEDSA-N 1 1 299.418 3.375 20 30 CGEDMO CC[C@H](CC#N)[N@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC001255164337 806561519 /nfs/dbraw/zinc/56/15/19/806561519.db2.gz JOURMCAIXOJOIG-ZIAGYGMSSA-N 1 1 258.365 3.177 20 30 CGEDMO CC[C@H](CC#N)[N@H+]1CC[C@H](c2ccc(OC)cc2)C1 ZINC001255173653 806567707 /nfs/dbraw/zinc/56/77/07/806567707.db2.gz CURQEBXVQSRBHG-LSDHHAIUSA-N 1 1 258.365 3.177 20 30 CGEDMO CC[C@@H](CC#N)N1CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC001255176462 806571102 /nfs/dbraw/zinc/57/11/02/806571102.db2.gz BQYVAWWDDJDZLG-YOEHRIQHSA-N 1 1 289.398 3.197 20 30 CGEDMO CC[C@@H](CC#N)N1CC[C@]2(CCC[N@H+]2Cc2ccccc2)C1 ZINC001255179864 806571824 /nfs/dbraw/zinc/57/18/24/806571824.db2.gz SOVQIZCSSZGAPQ-RBUKOAKNSA-N 1 1 297.446 3.419 20 30 CGEDMO C=CC[N@H+]([C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OCC)C(C)(C)C ZINC001255213362 806577723 /nfs/dbraw/zinc/57/77/23/806577723.db2.gz VGTOSTLZNMRYAV-FICVDOATSA-N 1 1 294.439 3.425 20 30 CGEDMO C=C1CC=C(F)C=C1[NH2+]C1CCC(C(=O)OCC)CC1 ZINC001255253764 806586029 /nfs/dbraw/zinc/58/60/29/806586029.db2.gz UUKGEFCKRHNVSP-UHFFFAOYSA-N 1 1 279.355 3.395 20 30 CGEDMO C=CC[N@H+]([C@@H]1CCC[C@H](C(=O)OCC)C1)C(C)(C)C ZINC001255377918 806628564 /nfs/dbraw/zinc/62/85/64/806628564.db2.gz HZFJQDACOREUCH-UONOGXRCSA-N 1 1 267.413 3.395 20 30 CGEDMO N#C[C@H]1CCCN([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255404031 806634422 /nfs/dbraw/zinc/63/44/22/806634422.db2.gz IKWQJMXJRXVZNZ-MOPGFXCFSA-N 1 1 297.446 3.277 20 30 CGEDMO CC(C)(C)C(=[NH2+])Nc1ccc(Br)c(C#N)n1 ZINC001162664816 806643408 /nfs/dbraw/zinc/64/34/08/806643408.db2.gz QAJVUGQPNPZENG-UHFFFAOYSA-N 1 1 281.157 3.151 20 30 CGEDMO Cc1cnc(C[NH2+]C2CC(C#N)(c3ccccc3)C2)s1 ZINC000127427255 799014159 /nfs/dbraw/zinc/01/41/59/799014159.db2.gz CPNFKDLRLORLKR-UHFFFAOYSA-N 1 1 283.400 3.165 20 30 CGEDMO CCCCCCCCCCCC[N@H+]1C[C@H](O)[C@@H](CO)C1 ZINC000317633934 799244543 /nfs/dbraw/zinc/24/45/43/799244543.db2.gz JGRPYADTDKYBJJ-SJORKVTESA-N 1 1 285.472 3.192 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000373108219 799342293 /nfs/dbraw/zinc/34/22/93/799342293.db2.gz AMTXLLKSIWWHAR-WMLDXEAASA-N 1 1 294.402 3.232 20 30 CGEDMO CC[C@@H](CC#N)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388426278 799452960 /nfs/dbraw/zinc/45/29/60/799452960.db2.gz ZHJAGAXWDMKMRR-ZWKOTPCHSA-N 1 1 285.435 3.275 20 30 CGEDMO CCCCCCC[C@@H](C)[NH2+][C@H](C)c1ncn(C)n1 ZINC000391946114 799480939 /nfs/dbraw/zinc/48/09/39/799480939.db2.gz WJCVBXKXNAFZCB-CHWSQXEVSA-N 1 1 252.406 3.215 20 30 CGEDMO CCCCCCCN1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000697746290 799848828 /nfs/dbraw/zinc/84/88/28/799848828.db2.gz DQYCVPPUGATPII-CHWSQXEVSA-N 1 1 280.378 3.416 20 30 CGEDMO C#C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(C)(C)C ZINC000702294466 799908083 /nfs/dbraw/zinc/90/80/83/799908083.db2.gz NKFLJRATNZNYEA-ZDUSSCGKSA-N 1 1 280.755 3.386 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@H](c3nccs3)C2)cc1C#N ZINC000710353737 800033862 /nfs/dbraw/zinc/03/38/62/800033862.db2.gz CQCJPXLIBTVABB-AWEZNQCLSA-N 1 1 283.400 3.313 20 30 CGEDMO C=C(Cl)CN[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716718124 800178554 /nfs/dbraw/zinc/17/85/54/800178554.db2.gz MZUMFWXNWFPPCS-ULQDDVLXSA-N 1 1 290.838 3.382 20 30 CGEDMO C[N@H+](CCCF)Cc1ccc(Br)cc1C#N ZINC000716718858 800178964 /nfs/dbraw/zinc/17/89/64/800178964.db2.gz SVJOBNODTPWZTC-UHFFFAOYSA-N 1 1 285.160 3.112 20 30 CGEDMO C[N@@H+](CCCF)Cc1ccc(Br)cc1C#N ZINC000716718858 800178973 /nfs/dbraw/zinc/17/89/73/800178973.db2.gz SVJOBNODTPWZTC-UHFFFAOYSA-N 1 1 285.160 3.112 20 30 CGEDMO C=CC[C@@H]([NH2+][C@H]1CCC[C@H](c2ccccc2)C1)C(=O)OC ZINC001256109913 806823785 /nfs/dbraw/zinc/82/37/85/806823785.db2.gz SMAGDVHRMHIFTK-YESZJQIVSA-N 1 1 287.403 3.420 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H]2CN2CCCCC2)cc1 ZINC000809551337 800445416 /nfs/dbraw/zinc/44/54/16/800445416.db2.gz VEKOVBZGEWACPC-IBGZPJMESA-N 1 1 282.431 3.118 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC[C@H]2CN2CCCCC2)cc1 ZINC000809551337 800445417 /nfs/dbraw/zinc/44/54/17/800445417.db2.gz VEKOVBZGEWACPC-IBGZPJMESA-N 1 1 282.431 3.118 20 30 CGEDMO C#CC[C@@H]([NH2+][C@@H](C)c1cc2n(n1)CCC2)c1ccccc1 ZINC000840733758 800500136 /nfs/dbraw/zinc/50/01/36/800500136.db2.gz YDGNPKWBYDCYOE-WMLDXEAASA-N 1 1 279.387 3.245 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C(C)C)cc2)[C@H]1C ZINC000994297635 800695833 /nfs/dbraw/zinc/69/58/33/800695833.db2.gz LWHAAWLVUFWHGH-CRAIPNDOSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC2(C)C)C1 ZINC001023544428 800712062 /nfs/dbraw/zinc/71/20/62/800712062.db2.gz HQDNNSFNZXSNOC-JKSUJKDBSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC2(C)C)C1 ZINC001023547447 800712383 /nfs/dbraw/zinc/71/23/83/800712383.db2.gz MEMHAFJZBYVTBW-HOTGVXAUSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)c2csc(C)c2)C1 ZINC001023646501 800713462 /nfs/dbraw/zinc/71/34/62/800713462.db2.gz BZVXMKVHBQBHAH-AWEZNQCLSA-N 1 1 292.448 3.074 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)c2csc(C)c2)C1 ZINC001023646547 800714256 /nfs/dbraw/zinc/71/42/56/800714256.db2.gz CWRNMDVOVONZLF-AWEZNQCLSA-N 1 1 292.448 3.074 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC12CC2 ZINC001024504883 800730395 /nfs/dbraw/zinc/73/03/95/800730395.db2.gz RNFYFAGNHHFXML-CVEARBPZSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C)cc1C ZINC001024787789 800736548 /nfs/dbraw/zinc/73/65/48/800736548.db2.gz BIDQZNYOBSWZAP-MRXNPFEDSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc2ccccc2o1 ZINC001024787844 800737820 /nfs/dbraw/zinc/73/78/20/800737820.db2.gz CGMVPPCIIXFDAL-HNNXBMFYSA-N 1 1 298.386 3.203 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)F ZINC001025189919 800746547 /nfs/dbraw/zinc/74/65/47/800746547.db2.gz SXUSBDMABMLTGO-CABCVRRESA-N 1 1 296.430 3.156 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)/C(C)=C\C ZINC001025219796 800749721 /nfs/dbraw/zinc/74/97/21/800749721.db2.gz ZZTCALUUMKHPCF-WCLYRPPWSA-N 1 1 290.451 3.374 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CCCC2)C1 ZINC001025320657 800755519 /nfs/dbraw/zinc/75/55/19/800755519.db2.gz OPXCQYKIUZMSNP-HIFRSBDPSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001025524969 800762294 /nfs/dbraw/zinc/76/22/94/800762294.db2.gz WPFIYMVYDXYSLX-DOTOQJQBSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]([N@H+](C)C(C)C)C1 ZINC001027425216 800797002 /nfs/dbraw/zinc/79/70/02/800797002.db2.gz HAXXTWIUBBCSIV-ZDUSSCGKSA-N 1 1 286.847 3.096 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@H]([N@@H+](C)CCC3CC3)C2)C1 ZINC001027566377 800802970 /nfs/dbraw/zinc/80/29/70/800802970.db2.gz HSJGEDRLNYLKQU-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC23CCCC3)C1 ZINC001027639361 800807614 /nfs/dbraw/zinc/80/76/14/800807614.db2.gz VFDZVBKGJVEFCQ-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2sccc2CC)C1 ZINC001027692489 800810569 /nfs/dbraw/zinc/81/05/69/800810569.db2.gz KQQWTHBQNLXJDN-AWEZNQCLSA-N 1 1 292.448 3.033 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC2(CC2)C1 ZINC001027877870 800823624 /nfs/dbraw/zinc/82/36/24/800823624.db2.gz BLCUJNMAJSYVRI-JKSUJKDBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001028146507 800832729 /nfs/dbraw/zinc/83/27/29/800832729.db2.gz HUISXTOIEJMNSA-BRWVUGGUSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(Cl)cc1 ZINC001028276084 800836974 /nfs/dbraw/zinc/83/69/74/800836974.db2.gz GVBRXEBRKCUUSS-HNNXBMFYSA-N 1 1 292.810 3.110 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C)cc1C ZINC001028294406 800840844 /nfs/dbraw/zinc/84/08/44/800840844.db2.gz BUICLLVVYBLXIO-INIZCTEOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCCC1(C)C ZINC001028336655 800841763 /nfs/dbraw/zinc/84/17/63/800841763.db2.gz AQMNHBYGIGYTIJ-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001028546589 800850194 /nfs/dbraw/zinc/85/01/94/800850194.db2.gz ABTJYLDAQVBJPZ-HRCADAONSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H]2CC[N@H+](CC=C(C)C)C2)CC1 ZINC001028778837 800852117 /nfs/dbraw/zinc/85/21/17/800852117.db2.gz MPZAVTYRXFAMRU-INIZCTEOSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001029013120 800857896 /nfs/dbraw/zinc/85/78/96/800857896.db2.gz XPKKLPCHBLEIAK-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC001029422646 800867971 /nfs/dbraw/zinc/86/79/71/800867971.db2.gz UFMQIKJGLCYGOX-GASCZTMLSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)C(C)(C)C2CCCCC2)C1 ZINC001031073816 800904384 /nfs/dbraw/zinc/90/43/84/800904384.db2.gz LZYLLXOVQGNEGR-UHFFFAOYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)CC1CCCC1 ZINC001032661232 800932900 /nfs/dbraw/zinc/93/29/00/800932900.db2.gz RABWKZKHBDKBQO-XIRDDKMYSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C1CCCCC1 ZINC001032672607 800935013 /nfs/dbraw/zinc/93/50/13/800935013.db2.gz SZNVGPLXSRHTSL-HOTGVXAUSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C1CCCCC1 ZINC001032672607 800935020 /nfs/dbraw/zinc/93/50/20/800935020.db2.gz SZNVGPLXSRHTSL-HOTGVXAUSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)cc(C)cc1C ZINC001032769095 800937577 /nfs/dbraw/zinc/93/75/77/800937577.db2.gz XHHPPNDEAUZSQO-IRXDYDNUSA-N 1 1 298.430 3.087 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001033076777 800952854 /nfs/dbraw/zinc/95/28/54/800952854.db2.gz OVVUWWFSMLXRDI-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2oc3ccccc3c2C)C1 ZINC001033640170 800971537 /nfs/dbraw/zinc/97/15/37/800971537.db2.gz PYTCBCHBMUSKGR-AWEZNQCLSA-N 1 1 298.386 3.074 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001033678511 800972933 /nfs/dbraw/zinc/97/29/33/800972933.db2.gz KSYZGBYDPHFEDR-AEFFLSMTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2sccc2CC)C1 ZINC001033685987 800973327 /nfs/dbraw/zinc/97/33/27/800973327.db2.gz YDIHYUJRIAUJLZ-AWEZNQCLSA-N 1 1 292.448 3.033 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(C3CC3)c2)C1 ZINC001033693787 800974755 /nfs/dbraw/zinc/97/47/55/800974755.db2.gz ZBPOGCUPVNYUAT-SFHVURJKSA-N 1 1 298.430 3.286 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCCC2(C)C)C1 ZINC001033697999 800975606 /nfs/dbraw/zinc/97/56/06/800975606.db2.gz LTAUMNKYYWGNBU-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(C)cs2)C1 ZINC001033829457 800985079 /nfs/dbraw/zinc/98/50/79/800985079.db2.gz JQIYQOFHMRJRRS-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc3occc3c2)C1 ZINC001033843457 800986074 /nfs/dbraw/zinc/98/60/74/800986074.db2.gz KNOJSFLOAAKEAJ-MRXNPFEDSA-N 1 1 298.386 3.155 20 30 CGEDMO C=C1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](CCCF)C2)CC1 ZINC001033946285 800991315 /nfs/dbraw/zinc/99/13/15/800991315.db2.gz UIRQTXBKVVHVFC-MRXNPFEDSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)C2CCC=CCC2)C1 ZINC001034041548 800994635 /nfs/dbraw/zinc/99/46/35/800994635.db2.gz HGJXVXYLAAPPDY-QGZVFWFLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001034021031 800995259 /nfs/dbraw/zinc/99/52/59/800995259.db2.gz RJCMSDRLYAPEIS-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(CC)o2)C1 ZINC001034272759 801015429 /nfs/dbraw/zinc/01/54/29/801015429.db2.gz MVMDFJIEAFOXEQ-AWEZNQCLSA-N 1 1 290.407 3.002 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@H](NC(=O)C2CCC(=C)CC2)C1 ZINC001034383456 801022415 /nfs/dbraw/zinc/02/24/15/801022415.db2.gz XZKGYHYYEKRYQT-KRWDZBQOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2ccsc2Cl)C1 ZINC001034432684 801027342 /nfs/dbraw/zinc/02/73/42/801027342.db2.gz YMTQZOQZNLZZJH-NSHDSACASA-N 1 1 298.839 3.172 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001034479914 801028680 /nfs/dbraw/zinc/02/86/80/801028680.db2.gz CLEMBCJQHCYVSN-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(C)cc2)C1 ZINC001034502762 801029923 /nfs/dbraw/zinc/02/99/23/801029923.db2.gz JBKJSMQIISAQLX-QGZVFWFLSA-N 1 1 286.419 3.155 20 30 CGEDMO C=CC[N@H+]1CCCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001034512531 801030522 /nfs/dbraw/zinc/03/05/22/801030522.db2.gz NDKVLYYLMQGCMY-OAHLLOKOSA-N 1 1 298.386 3.203 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)c3ccccc3C)CC[C@@H]21 ZINC001036631818 801084379 /nfs/dbraw/zinc/08/43/79/801084379.db2.gz CBYIQRWTNXYBKV-WMZOPIPTSA-N 1 1 298.430 3.108 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(C)c3)CC[C@@H]21 ZINC001036630835 801085134 /nfs/dbraw/zinc/08/51/34/801085134.db2.gz MUXZTBOQBQXHBW-MSOLQXFVSA-N 1 1 298.430 3.108 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CC(C)(C)C)CC[C@H]21 ZINC001036642097 801086012 /nfs/dbraw/zinc/08/60/12/801086012.db2.gz LFIXTRAEAMJGOG-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2occc2c1 ZINC001038290159 801122585 /nfs/dbraw/zinc/12/25/85/801122585.db2.gz XZZNXWILUBFPBG-INIZCTEOSA-N 1 1 298.386 3.203 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C2CC2)s1 ZINC001038911333 801136799 /nfs/dbraw/zinc/13/67/99/801136799.db2.gz DDTDHISHMLXXDW-CYBMUJFWSA-N 1 1 290.432 3.006 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C2CC2)s1 ZINC001038911333 801136801 /nfs/dbraw/zinc/13/68/01/801136801.db2.gz DDTDHISHMLXXDW-CYBMUJFWSA-N 1 1 290.432 3.006 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1cc2cc(C)ccc2o1 ZINC001039043341 801141983 /nfs/dbraw/zinc/14/19/83/801141983.db2.gz HKTSVMKAGNMFGW-HNNXBMFYSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCCC1(C)C ZINC001039062131 801145263 /nfs/dbraw/zinc/14/52/63/801145263.db2.gz UWTIZTJQFCGZHE-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC([C@@H]2CC[N@H+](CC)C2)CC1 ZINC001039149038 801150519 /nfs/dbraw/zinc/15/05/19/801150519.db2.gz BFQHEZHYRLURLD-MRXNPFEDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001039896091 801168601 /nfs/dbraw/zinc/16/86/01/801168601.db2.gz DUUJCOPIESTSPH-SOLBZPMBSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)C3CCCC3)C2)C1 ZINC001040035791 801169625 /nfs/dbraw/zinc/16/96/25/801169625.db2.gz VDXCLIJNAKIIAY-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)CC)C2)C1 ZINC001040358106 801176620 /nfs/dbraw/zinc/17/66/20/801176620.db2.gz VQHTWHSOZRALMV-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@](C)(C=C)CC)C2)C1 ZINC001040372400 801177198 /nfs/dbraw/zinc/17/71/98/801177198.db2.gz PLSOYJQIYUJOGO-ZWKOTPCHSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(CC)CC)C2)C1 ZINC001041841730 801193635 /nfs/dbraw/zinc/19/36/35/801193635.db2.gz SQJUTEZKEIIJBT-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cccc(C)c3C)C2)C1 ZINC001041813052 801194063 /nfs/dbraw/zinc/19/40/63/801194063.db2.gz SRBAQHJRBKCHDA-LJQANCHMSA-N 1 1 298.430 3.027 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc(C)cc3)C2)C1 ZINC001041802479 801194491 /nfs/dbraw/zinc/19/44/91/801194491.db2.gz SKEZTWUXZQRMSQ-LJQANCHMSA-N 1 1 298.430 3.109 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(C)c3)C[C@H]21 ZINC001041912293 801196605 /nfs/dbraw/zinc/19/66/05/801196605.db2.gz JIJJIFFBXIQLQN-FUHWJXTLSA-N 1 1 298.430 3.108 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)C3(CC)CCC3)C[C@H]21 ZINC001042193657 801201768 /nfs/dbraw/zinc/20/17/68/801201768.db2.gz PPKIJMWRRWKHCX-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(CC)CC)C[C@H]21 ZINC001042365521 801205047 /nfs/dbraw/zinc/20/50/47/801205047.db2.gz OQRAJRNPAPGPLL-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[NH+]1CC(N(C)C(=O)c2sccc2Cl)C1 ZINC001042764753 801211910 /nfs/dbraw/zinc/21/19/10/801211910.db2.gz ALBDAUKKKJAIEG-UHFFFAOYSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CCC[NH+]1CC(N(C)C(=O)c2cccc3ccccc32)C1 ZINC001044255843 801234915 /nfs/dbraw/zinc/23/49/15/801234915.db2.gz WYACCAUGGYWFGR-UHFFFAOYSA-N 1 1 294.398 3.172 20 30 CGEDMO C=C(C)CC[NH+]1CC(N(C)C(=O)c2ccc(Cl)s2)C1 ZINC001044261182 801235582 /nfs/dbraw/zinc/23/55/82/801235582.db2.gz VRZZSXOLYPEOQN-UHFFFAOYSA-N 1 1 298.839 3.124 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@H]2CCC2(C)C)CC1 ZINC001045527310 801276987 /nfs/dbraw/zinc/27/69/87/801276987.db2.gz GWHKKKZBOJEDLD-CYBMUJFWSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C1(C)CCC1)C2 ZINC001045956550 801294979 /nfs/dbraw/zinc/29/49/79/801294979.db2.gz KXOBKUDRMNRXQK-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C)C(C)C)C2 ZINC001045970472 801297596 /nfs/dbraw/zinc/29/75/96/801297596.db2.gz GEKZFZRXMRUADE-FUHWJXTLSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)C2CCCCC2)C1 ZINC001046108189 801301133 /nfs/dbraw/zinc/30/11/33/801301133.db2.gz TZNQBYLVLOYTCX-KRWDZBQOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001046320542 801307354 /nfs/dbraw/zinc/30/73/54/801307354.db2.gz JMCOLKOYWZZZBS-NVXWUHKLSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)c2ccsc2C)C1 ZINC001046309925 801308489 /nfs/dbraw/zinc/30/84/89/801308489.db2.gz WZGGDKFHWQAMFK-MRXNPFEDSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(CC)o2)C1 ZINC001046423767 801312856 /nfs/dbraw/zinc/31/28/56/801312856.db2.gz QWXQVXMBJBXFDF-QGZVFWFLSA-N 1 1 290.407 3.002 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)c2ccccc2CC)C1 ZINC001046577793 801314966 /nfs/dbraw/zinc/31/49/66/801314966.db2.gz CAFYPEJJGXUSAP-SFHVURJKSA-N 1 1 286.419 3.019 20 30 CGEDMO C=C1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CCC3CC3)C2)CC1 ZINC001046594629 801316817 /nfs/dbraw/zinc/31/68/17/801316817.db2.gz LWIFTQGKLIGQEB-SFHVURJKSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)c2csc(C)c2)C1 ZINC001046704573 801322223 /nfs/dbraw/zinc/32/22/23/801322223.db2.gz UBRPBHNOJSOTGB-INIZCTEOSA-N 1 1 292.448 3.217 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(C(C)C)c2)C1 ZINC001046749788 801322803 /nfs/dbraw/zinc/32/28/03/801322803.db2.gz PIFDAENVXZRXFB-LJQANCHMSA-N 1 1 298.430 3.028 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(Cl)s2)C1 ZINC001046820023 801327813 /nfs/dbraw/zinc/32/78/13/801327813.db2.gz GPRJJILNTXDJNF-CQSZACIVSA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC1(C)C ZINC001049430258 801374375 /nfs/dbraw/zinc/37/43/75/801374375.db2.gz DIRJBUXPARSHKI-PMPSAXMXSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)C(=C)C ZINC001049641055 801379145 /nfs/dbraw/zinc/37/91/45/801379145.db2.gz ZUCFHXYETSPHCG-CVEARBPZSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CCC)CC1 ZINC001049689649 801383822 /nfs/dbraw/zinc/38/38/22/801383822.db2.gz LGHZVGVPFZGHIL-IAGOWNOFSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CC1 ZINC001049694838 801384042 /nfs/dbraw/zinc/38/40/42/801384042.db2.gz RUEGAHLUGLMDGG-XYJFISCASA-N 1 1 290.451 3.064 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCCF ZINC001049693402 801384210 /nfs/dbraw/zinc/38/42/10/801384210.db2.gz MPDGNUNGOOHWAQ-YQQAZPJKSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C)c(C)c1 ZINC001049872308 801391011 /nfs/dbraw/zinc/39/10/11/801391011.db2.gz RCXCWULJMSJACY-ROUUACIJSA-N 1 1 298.430 3.168 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C[C@H]2C=CCC2)CC1 ZINC001052187773 801425083 /nfs/dbraw/zinc/42/50/83/801425083.db2.gz PHRKMBQSZVZQPD-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC)o2)CC1 ZINC001052497670 801436447 /nfs/dbraw/zinc/43/64/47/801436447.db2.gz SVKQDBAPGXLEEU-CQSZACIVSA-N 1 1 290.407 3.002 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC)o2)CC1 ZINC001052497666 801436987 /nfs/dbraw/zinc/43/69/87/801436987.db2.gz SVKQDBAPGXLEEU-AWEZNQCLSA-N 1 1 290.407 3.002 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC2(C)C)CC1 ZINC001052637924 801442361 /nfs/dbraw/zinc/44/23/61/801442361.db2.gz QKCMLXQJQICSOD-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC2(C)C)CC1 ZINC001052641437 801443620 /nfs/dbraw/zinc/44/36/20/801443620.db2.gz PHJRXMXJLBXMQG-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2(C)CC(=C)C2)CC1 ZINC001052688884 801447652 /nfs/dbraw/zinc/44/76/52/801447652.db2.gz CJFBNJHCAONHHF-AWEZNQCLSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)c2ccsc2)CC1 ZINC001052701258 801449534 /nfs/dbraw/zinc/44/95/34/801449534.db2.gz BRLSRGOENKGEGC-DZGCQCFKSA-N 1 1 292.448 3.008 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)C2CCCC2)CC1 ZINC001052856780 801453251 /nfs/dbraw/zinc/45/32/51/801453251.db2.gz FQJBNYJWBPOBFU-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)C2CCCC2)CC1 ZINC001052859212 801454121 /nfs/dbraw/zinc/45/41/21/801454121.db2.gz JILYQEYMVUKBEF-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCC)C1 ZINC001053060535 801466097 /nfs/dbraw/zinc/46/60/97/801466097.db2.gz ARMZVZDTEHVFRS-IAGOWNOFSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C(C)C)C1 ZINC001053073881 801468283 /nfs/dbraw/zinc/46/82/83/801468283.db2.gz YSILZINZDISJCR-SJORKVTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1(C)CC1)C2 ZINC001054137975 801475609 /nfs/dbraw/zinc/47/56/09/801475609.db2.gz ZDUXXNRUQNFCNT-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)C(=C)C)C2 ZINC001054174911 801477311 /nfs/dbraw/zinc/47/73/11/801477311.db2.gz CTYXNXFSYWHXSC-GOSISDBHSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(C)CCC1)C2 ZINC001054178464 801477354 /nfs/dbraw/zinc/47/73/54/801477354.db2.gz DRBLNXWMYJMPGO-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@H+]1Cc2ccc(CNC(=O)C3=CCCC3)cc2C1 ZINC001054260702 801482167 /nfs/dbraw/zinc/48/21/67/801482167.db2.gz CLLQMYQLRNKBNJ-UHFFFAOYSA-N 1 1 296.414 3.305 20 30 CGEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3C[C@H]3C(C)C)cc2C1 ZINC001054288493 801484770 /nfs/dbraw/zinc/48/47/70/801484770.db2.gz YTLZAFXIRBEJPF-ROUUACIJSA-N 1 1 298.430 3.097 20 30 CGEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3C[C@H]3C(C)C)cc2C1 ZINC001054288493 801484772 /nfs/dbraw/zinc/48/47/72/801484772.db2.gz YTLZAFXIRBEJPF-ROUUACIJSA-N 1 1 298.430 3.097 20 30 CGEDMO C[C@@H]1C[C@@H](N2CCC[C@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC001256556239 806914184 /nfs/dbraw/zinc/91/41/84/806914184.db2.gz XRAKUXTZOGEPRP-QRQLOZEOSA-N 1 1 297.446 3.275 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cscc2C)CC[C@@H]1C ZINC001071398424 801533869 /nfs/dbraw/zinc/53/38/69/801533869.db2.gz DRNVXKAQBCQUBJ-KBPBESRZSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2cscc2C)CC[C@@H]1C ZINC001071398426 801534777 /nfs/dbraw/zinc/53/47/77/801534777.db2.gz DRNVXKAQBCQUBJ-UONOGXRCSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)c2sccc2Cl)CC[C@H]1C ZINC001071525060 801541301 /nfs/dbraw/zinc/54/13/01/801541301.db2.gz JUCGDMFSXSNFOS-GHMZBOCLSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2sccc2Cl)CC[C@H]1C ZINC001071525060 801541305 /nfs/dbraw/zinc/54/13/05/801541305.db2.gz JUCGDMFSXSNFOS-GHMZBOCLSA-N 1 1 298.839 3.170 20 30 CGEDMO C#CC[N@H+]1C[C@H](NC(=O)c2ccccc2C(C)C)CC[C@@H]1C ZINC001071550066 801543418 /nfs/dbraw/zinc/54/34/18/801543418.db2.gz XJUDBJNKZASTDA-JKSUJKDBSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C2(C3CC3)CCC2)CC[C@H]1C ZINC001071709018 801547001 /nfs/dbraw/zinc/54/70/01/801547001.db2.gz PMZGXWJIIIYIFF-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CCCC)C2)cc1 ZINC001071731656 801547550 /nfs/dbraw/zinc/54/75/50/801547550.db2.gz IAVUDGLEQGGTCK-MAUKXSAKSA-N 1 1 298.430 3.051 20 30 CGEDMO CC(C)(C)N1CCC([N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC1 ZINC001256573150 806918970 /nfs/dbraw/zinc/91/89/70/806918970.db2.gz DMRGZCGBZVXRHC-MKZZRHPPSA-N 1 1 275.440 3.016 20 30 CGEDMO CC(C)(C)N1CCC([N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC1 ZINC001256573150 806918974 /nfs/dbraw/zinc/91/89/74/806918974.db2.gz DMRGZCGBZVXRHC-MKZZRHPPSA-N 1 1 275.440 3.016 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001079550341 801645631 /nfs/dbraw/zinc/64/56/31/801645631.db2.gz IFAVJMRSJGHMIK-RHSMWYFYSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C2CCCCC2)C1 ZINC001080582596 801654480 /nfs/dbraw/zinc/65/44/80/801654480.db2.gz RIKYETISZKKHDI-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC2(CC2)C1 ZINC001085594577 801695031 /nfs/dbraw/zinc/69/50/31/801695031.db2.gz JYUNFELJRFCQGS-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C2CCC2)cc1 ZINC001085629129 801697541 /nfs/dbraw/zinc/69/75/41/801697541.db2.gz MDDNLBGRAOMYJC-GOSISDBHSA-N 1 1 298.430 3.286 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C2CCC2)cc1 ZINC001085629129 801697549 /nfs/dbraw/zinc/69/75/49/801697549.db2.gz MDDNLBGRAOMYJC-GOSISDBHSA-N 1 1 298.430 3.286 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)ccc1C1CC1 ZINC001085740624 801701937 /nfs/dbraw/zinc/70/19/37/801701937.db2.gz XEHHZFCPGSBXRB-MRXNPFEDSA-N 1 1 298.430 3.205 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)ccc1C1CC1 ZINC001085740624 801701942 /nfs/dbraw/zinc/70/19/42/801701942.db2.gz XEHHZFCPGSBXRB-MRXNPFEDSA-N 1 1 298.430 3.205 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CCCCCCC1 ZINC001085715700 801701972 /nfs/dbraw/zinc/70/19/72/801701972.db2.gz REUAULSPFWMWLD-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CCC2CC2)CC1 ZINC001085801697 801705043 /nfs/dbraw/zinc/70/50/43/801705043.db2.gz ZYCPMTWNHZQCMH-QGZVFWFLSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(Cl)cc1 ZINC001085939352 801711765 /nfs/dbraw/zinc/71/17/65/801711765.db2.gz FDKWTOSHSDWIBJ-HNNXBMFYSA-N 1 1 292.810 3.062 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCCC1(C)C ZINC001085991098 801715561 /nfs/dbraw/zinc/71/55/61/801715561.db2.gz GBFBWJMVSGQOQI-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C(C)C ZINC001087274896 801748615 /nfs/dbraw/zinc/74/86/15/801748615.db2.gz YEDQGRGIUNEXHA-HZSPNIEDSA-N 1 1 298.858 3.000 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C(C)C ZINC001087274896 801748621 /nfs/dbraw/zinc/74/86/21/801748621.db2.gz YEDQGRGIUNEXHA-HZSPNIEDSA-N 1 1 298.858 3.000 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cscc2C)[C@H]1CC ZINC001087534715 801754590 /nfs/dbraw/zinc/75/45/90/801754590.db2.gz GZUNHZCIRDLBDZ-LSDHHAIUSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC)o2)[C@H]1CC ZINC001087627235 801759910 /nfs/dbraw/zinc/75/99/10/801759910.db2.gz ROYRQACTEIIKRN-LSDHHAIUSA-N 1 1 290.407 3.001 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cc(C)oc2C)[C@H]1C ZINC001088464539 801797196 /nfs/dbraw/zinc/79/71/96/801797196.db2.gz CUXOQDPHGYYLBI-CJNGLKHVSA-N 1 1 290.407 3.055 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc3occc3c2)[C@H]1C ZINC001088584155 801801746 /nfs/dbraw/zinc/80/17/46/801801746.db2.gz FRPOIFIEWFQMSL-CJNGLKHVSA-N 1 1 298.386 3.202 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)c2ccsc2)[C@H]1C ZINC001088851340 801811599 /nfs/dbraw/zinc/81/15/99/801811599.db2.gz CYLFXRZLALVULN-NFAWXSAZSA-N 1 1 292.448 3.007 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2cccs2)[C@H]1C ZINC001088851974 801811686 /nfs/dbraw/zinc/81/16/86/801811686.db2.gz AECFAOZFCCVILB-MJBXVCDLSA-N 1 1 292.448 3.007 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2c(C)cccc2C)[C@H]1C ZINC001088876314 801811951 /nfs/dbraw/zinc/81/19/51/801811951.db2.gz HXKIORNBLJBWAI-CVEARBPZSA-N 1 1 286.419 3.072 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2csc(Cl)c2)[C@H]1C ZINC001088898800 801813442 /nfs/dbraw/zinc/81/34/42/801813442.db2.gz WSAVLPTVXHBYKI-PWSUYJOCSA-N 1 1 298.839 3.170 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2csc(Cl)c2)[C@H]1C ZINC001088898137 801813685 /nfs/dbraw/zinc/81/36/85/801813685.db2.gz PZSNPKAMNJVXQM-PWSUYJOCSA-N 1 1 298.839 3.170 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccoc2CCC)[C@H]1C ZINC001088979289 801814785 /nfs/dbraw/zinc/81/47/85/801814785.db2.gz FWUHYXFRGLJZEW-HIFRSBDPSA-N 1 1 290.407 3.001 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2sccc2CC)[C@H]1C ZINC001089057100 801818381 /nfs/dbraw/zinc/81/83/81/801818381.db2.gz IOCYXMLMXZGGMQ-OCCSQVGLSA-N 1 1 292.448 3.079 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)CC2CC2)CC(C)(C)C1 ZINC001089295263 801830798 /nfs/dbraw/zinc/83/07/98/801830798.db2.gz FMMKKGLFERQENA-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C2(C)CCC2)CC(C)(C)C1 ZINC001089464417 801839530 /nfs/dbraw/zinc/83/95/30/801839530.db2.gz IKDSTGYEFLBYNS-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](CNC(=O)C2CC(C)(C)C2)[C@H](C)C1 ZINC001092586377 801862493 /nfs/dbraw/zinc/86/24/93/801862493.db2.gz JXYZHHXPCYVTNA-GDBMZVCRSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)cccc1C)C2 ZINC001096053370 801887757 /nfs/dbraw/zinc/88/77/57/801887757.db2.gz MTZFUORLFDGTJY-IKGGRYGDSA-N 1 1 298.430 3.215 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(C)CC=CCC1)C2 ZINC001097130321 801898636 /nfs/dbraw/zinc/89/86/36/801898636.db2.gz IKKCELNSNPPDKN-XLMAVXFVSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C)c(C)c1)C2 ZINC001098320948 801909676 /nfs/dbraw/zinc/90/96/76/801909676.db2.gz RLSRYPJRZSUQQO-KURKYZTESA-N 1 1 298.430 3.215 20 30 CGEDMO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)/C(C)=C/C ZINC001099000834 801923785 /nfs/dbraw/zinc/92/37/85/801923785.db2.gz NDENEUNRVUYVAY-CYIWUNGXSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)/C(C)=C/C ZINC001099000834 801923789 /nfs/dbraw/zinc/92/37/89/801923789.db2.gz NDENEUNRVUYVAY-CYIWUNGXSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)C(C)(C)C ZINC001099121642 801927948 /nfs/dbraw/zinc/92/79/48/801927948.db2.gz MXDJHFPFVASCON-GJZGRUSLSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC(=C)C ZINC001099171919 801932714 /nfs/dbraw/zinc/93/27/14/801932714.db2.gz WNOJJYYOGGQLBF-OAHLLOKOSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CC1 ZINC001099203582 801934877 /nfs/dbraw/zinc/93/48/77/801934877.db2.gz NYWAWFBJUYYGQG-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)CCCC)C[C@]2(C)C1 ZINC001101129947 801972587 /nfs/dbraw/zinc/97/25/87/801972587.db2.gz RTYQSCLYVARXOI-NUJGCVRESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H](C)CCC)C[C@]2(C)C1 ZINC001101166160 801974159 /nfs/dbraw/zinc/97/41/59/801974159.db2.gz DSQXDVOTVUIFNW-JZXOWHBKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)CCCCC)C[C@]2(C)C1 ZINC001101131043 801974469 /nfs/dbraw/zinc/97/44/69/801974469.db2.gz OVERSOLHEXDWOF-AEFFLSMTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCCC(=O)N1C[C@H]2C[N@@H+](CCCC=C)C[C@@]2(C)C1 ZINC001101346865 801978658 /nfs/dbraw/zinc/97/86/58/801978658.db2.gz LACAYUDWANHMIB-AEFFLSMTSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H](CC)C(C)C)C[C@]2(C)C1 ZINC001101434122 801980026 /nfs/dbraw/zinc/98/00/26/801980026.db2.gz CLLMVDKCKLHNDM-NUJGCVRESA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)/C=C(\C)CC)[C@H](C)C1 ZINC001101943293 801996549 /nfs/dbraw/zinc/99/65/49/801996549.db2.gz PCMPVKZCFWABKY-LWNWWNNPSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NC[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1C ZINC001102260810 802002692 /nfs/dbraw/zinc/00/26/92/802002692.db2.gz DVBRFBDFEYLJTK-ZMSDIMECSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](CNC(=O)C/C=C(\C)C=C)[C@H](C)C1 ZINC001102247537 802002766 /nfs/dbraw/zinc/00/27/66/802002766.db2.gz XNABMYGGZXLJKG-DKXBRRKKSA-N 1 1 290.451 3.159 20 30 CGEDMO C=CCCCC(=O)NC[C@@H]1C[N@@H+](CCCCC)C[C@H]1C ZINC001102298387 802004854 /nfs/dbraw/zinc/00/48/54/802004854.db2.gz QHNHEHSEEBWZDN-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H]2C[N@@H+](C[C@H](C)CC)C[C@H]2C)C1 ZINC001102349491 802007176 /nfs/dbraw/zinc/00/71/76/802007176.db2.gz GTFZRPFSOBJEOY-FVQBIDKESA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC)CCC)[C@H](C)C1 ZINC001102485562 802008817 /nfs/dbraw/zinc/00/88/17/802008817.db2.gz WMPAHCOYWGSDIK-IXDOHACOSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC)C1 ZINC001102637540 802015053 /nfs/dbraw/zinc/01/50/53/802015053.db2.gz JGAHLSDWZWQUJW-BZUAXINKSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC(=O)NCC[C@@H]1C[N@@H+](C[C@H](C)CC)C[C@H]1C ZINC001102762010 802019184 /nfs/dbraw/zinc/01/91/84/802019184.db2.gz JCAZQSFMZGIGDW-BZUAXINKSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)/C=C(\C)CC)C1 ZINC001102953420 802024337 /nfs/dbraw/zinc/02/43/37/802024337.db2.gz FVJKVWDINGITCM-OMYPGEHRSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C(C)CCC(=O)NCC[C@@H]1C[N@H+](CC(=C)Cl)C[C@H]1C ZINC001103041865 802026953 /nfs/dbraw/zinc/02/69/53/802026953.db2.gz SEHORGKDVJXRRF-UKRRQHHQSA-N 1 1 298.858 3.169 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[C@@H]1C[N@@H+](CC[C@H](C)F)C[C@H]1C ZINC001103311612 802028458 /nfs/dbraw/zinc/02/84/58/802028458.db2.gz DDCILKZWAYRLPE-QLFBSQMISA-N 1 1 298.446 3.021 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(CC)CCC2)C1 ZINC001103339953 802030424 /nfs/dbraw/zinc/03/04/24/802030424.db2.gz IWZPXTZXVHXGQX-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCC[C@@H]1C[N@@H+](CCC)C[C@H]1C ZINC001103401578 802032146 /nfs/dbraw/zinc/03/21/46/802032146.db2.gz GZDFYVFSKZABOL-INMHGKMJSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C=C)CC)C1 ZINC001103350261 802033146 /nfs/dbraw/zinc/03/31/46/802033146.db2.gz LYDCCSGAPHZOJV-IXDOHACOSA-N 1 1 292.467 3.239 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)CC)C1 ZINC001103385815 802033897 /nfs/dbraw/zinc/03/38/97/802033897.db2.gz LMNWQZSYTMXYSR-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)C(C)C)C1 ZINC001103489452 802035016 /nfs/dbraw/zinc/03/50/16/802035016.db2.gz LITXNUNWZLGLRO-BRWVUGGUSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)CCC)C1 ZINC001103580487 802037225 /nfs/dbraw/zinc/03/72/25/802037225.db2.gz MBEWGDAUBGMDIT-OWCLPIDISA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)CCC)CCC[C@@H]12 ZINC001107341580 802085866 /nfs/dbraw/zinc/08/58/66/802085866.db2.gz OEWYETDKGLXYDF-LZLYRXPVSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)CCC)CCC[C@@H]12 ZINC001107341180 802086344 /nfs/dbraw/zinc/08/63/44/802086344.db2.gz KBRLJGCWTVCMEL-JFIYKMOQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](F)CC)CCC[C@@H]12 ZINC001107506837 802088989 /nfs/dbraw/zinc/08/89/89/802088989.db2.gz PBTNKDCLUZLAEF-BFYDXBDKSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC)CC2 ZINC001107534153 802090172 /nfs/dbraw/zinc/09/01/72/802090172.db2.gz ZTIRNCUXUPXJQE-KBAYOESNSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)C(C)(CC)CC)CCC[C@@H]12 ZINC001107637574 802092441 /nfs/dbraw/zinc/09/24/41/802092441.db2.gz QNHFSBFRWROMJP-CRAIPNDOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCCC ZINC001109055187 802106254 /nfs/dbraw/zinc/10/62/54/802106254.db2.gz SCIGIIYFBTVGNO-PMPSAXMXSA-N 1 1 278.440 3.254 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC=CC1)C2 ZINC001109102901 802107822 /nfs/dbraw/zinc/10/78/22/802107822.db2.gz FNXXPIHWGSZNNY-ORQFMDKSSA-N 1 1 288.435 3.029 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C=C/C(C)(C)C)C2 ZINC001109085896 802108487 /nfs/dbraw/zinc/10/84/87/802108487.db2.gz MMMYYDNPKCJALI-JKCPTCAPSA-N 1 1 290.451 3.276 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(F)=C(C)C)C2 ZINC001109153001 802110208 /nfs/dbraw/zinc/11/02/08/802110208.db2.gz GPHQDCXOONOAMZ-KBXIAJHMSA-N 1 1 294.414 3.326 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)CC)C2 ZINC001109208273 802112856 /nfs/dbraw/zinc/11/28/56/802112856.db2.gz HTUPOFKCUOAAAW-WCVJEAGWSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(C)C=CCC1)C2 ZINC001109607290 802118900 /nfs/dbraw/zinc/11/89/00/802118900.db2.gz RDKUAEIQHFMATF-MUQADHOPSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1 ZINC001109767952 802124966 /nfs/dbraw/zinc/12/49/66/802124966.db2.gz SCYVMRWFEBKGIV-PMPSAXMXSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CC(C)(C)C)C2 ZINC001109804477 802125686 /nfs/dbraw/zinc/12/56/86/802125686.db2.gz QBNAEALFWSHRHW-WCVJEAGWSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C(C)(C)C)C2 ZINC001110722902 802146724 /nfs/dbraw/zinc/14/67/24/802146724.db2.gz WXMFZFCZDJESKK-JJXSEGSLSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)CC)C2 ZINC001110967819 802152163 /nfs/dbraw/zinc/15/21/63/802152163.db2.gz FZXCUYYOVYIAFR-FPCVCCKLSA-N 1 1 292.467 3.499 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)CC(C)(C)C)C2 ZINC001111107466 802155555 /nfs/dbraw/zinc/15/55/55/802155555.db2.gz VWCODURXPWJYQQ-JJXSEGSLSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)CCC)C2 ZINC001111190199 802157017 /nfs/dbraw/zinc/15/70/17/802157017.db2.gz TUALBMVQZNOMCS-FPCVCCKLSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CCCC)C(C)C)C2 ZINC001111468802 802161437 /nfs/dbraw/zinc/16/14/37/802161437.db2.gz QAHRJDSGDSJHOM-VQHPVUNQSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCCCCF)C2 ZINC001111650051 802164500 /nfs/dbraw/zinc/16/45/00/802164500.db2.gz BYEJNUPTTUWERW-RDJZCZTQSA-N 1 1 296.430 3.063 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)/C(C)=C/CC)C1 ZINC001111632268 802165082 /nfs/dbraw/zinc/16/50/82/802165082.db2.gz JXCFEWLFNUDSBL-YOLGGEQPSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)/C(C)=C/CC)C1 ZINC001111632268 802165085 /nfs/dbraw/zinc/16/50/85/802165085.db2.gz JXCFEWLFNUDSBL-YOLGGEQPSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](C[C@@H](C)CC)C2 ZINC001111856819 802170777 /nfs/dbraw/zinc/17/07/77/802170777.db2.gz JACHPYSDYFLGBS-BQFCYCMXSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCF)C1 ZINC001111841167 802171121 /nfs/dbraw/zinc/17/11/21/802171121.db2.gz XPJPOKAWAUKPIT-ZOBUZTSGSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCCCCC[NH+]1CCN(C(=O)c2ccoc2C)CC1 ZINC001112604613 802180991 /nfs/dbraw/zinc/18/09/91/802180991.db2.gz IAHTZSBHIONYBI-UHFFFAOYSA-N 1 1 290.407 3.092 20 30 CGEDMO C=CC[NH+]1CCN(c2nccc3ccc(Cl)cc32)CC1 ZINC001165031250 806966737 /nfs/dbraw/zinc/96/67/37/806966737.db2.gz AFRCVRKQSYOWSZ-UHFFFAOYSA-N 1 1 287.794 3.196 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)[C@@H](C)CCC(C)(C)C)CC1 ZINC001113540386 802229129 /nfs/dbraw/zinc/22/91/29/802229129.db2.gz QDSJWTAZEYDSID-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)C(CC(C)C)CC(C)C)CC1 ZINC001113694902 802232912 /nfs/dbraw/zinc/23/29/12/802232912.db2.gz AMFYAORYWIWULV-UHFFFAOYSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC=C ZINC001114757100 802244563 /nfs/dbraw/zinc/24/45/63/802244563.db2.gz GBWNLRUJGJRTSJ-VQFNDLOPSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC001114791920 802246200 /nfs/dbraw/zinc/24/62/00/802246200.db2.gz LRIAUSLITWMWAB-LDDOYCOJSA-N 1 1 292.467 3.071 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)C(C)C ZINC001114916125 802247916 /nfs/dbraw/zinc/24/79/16/802247916.db2.gz WIKXAZVVXUPIJF-MWDXBVQZSA-N 1 1 294.483 3.295 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(CC)(CC)CC ZINC001115023506 802250492 /nfs/dbraw/zinc/25/04/92/802250492.db2.gz VGPFCQMHWRDOBA-WDNDVIMCSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(CC)(CC)CC ZINC001115023506 802250494 /nfs/dbraw/zinc/25/04/94/802250494.db2.gz VGPFCQMHWRDOBA-WDNDVIMCSA-N 1 1 298.858 3.002 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)CCC(C)(C)C ZINC001115126498 802253621 /nfs/dbraw/zinc/25/36/21/802253621.db2.gz OOYIEDVCOYRWMZ-CAOSSQGBSA-N 1 1 292.467 3.071 20 30 CGEDMO C#CC[N@@H+](CC#CC)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC001116444699 802352703 /nfs/dbraw/zinc/35/27/03/802352703.db2.gz DHSKVNDYKISRMW-UHFFFAOYSA-N 1 1 297.789 3.189 20 30 CGEDMO C#CC[N@H+](CC#CC)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC001116444699 802352711 /nfs/dbraw/zinc/35/27/11/802352711.db2.gz DHSKVNDYKISRMW-UHFFFAOYSA-N 1 1 297.789 3.189 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OC)cc1OC(F)F)CC1CC1 ZINC001116448913 802353955 /nfs/dbraw/zinc/35/39/55/802353955.db2.gz DSXIHCIWNVLWHT-UHFFFAOYSA-N 1 1 295.329 3.142 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC001116472330 802359784 /nfs/dbraw/zinc/35/97/84/802359784.db2.gz CJTUSGZUQBRDGA-UHFFFAOYSA-N 1 1 293.798 3.066 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001116553317 802377618 /nfs/dbraw/zinc/37/76/18/802377618.db2.gz UXWXBORVKLTILN-CYBMUJFWSA-N 1 1 296.754 3.025 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001116553317 802377626 /nfs/dbraw/zinc/37/76/26/802377626.db2.gz UXWXBORVKLTILN-CYBMUJFWSA-N 1 1 296.754 3.025 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CC[C@@](CF)(C(F)(F)F)C1 ZINC001172491143 808350089 /nfs/dbraw/zinc/35/00/89/808350089.db2.gz CCZFQNKYZYCUFH-MNOVXSKESA-N 1 1 266.282 3.293 20 30 CGEDMO C=CCN1CC[C@@]2(CCC[N@H+]2CCCC2CCCC2)C1=O ZINC001273100482 808833249 /nfs/dbraw/zinc/83/32/49/808833249.db2.gz AIYSTVJHWSYBKR-SFHVURJKSA-N 1 1 290.451 3.210 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@@H+]2C[C@@H](C)c2ccccc2)C1=O ZINC001273080405 808832906 /nfs/dbraw/zinc/83/29/06/808832906.db2.gz YKGCOSTZRWONER-VQIMIIECSA-N 1 1 298.430 3.043 20 30 CGEDMO C=CCC1(c2nc([C@@H]([NH3+])c3ccccc3)no2)CCC1 ZINC001118237268 802540838 /nfs/dbraw/zinc/54/08/38/802540838.db2.gz SHKSKHRYBLKQFX-ZDUSSCGKSA-N 1 1 269.348 3.116 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2nc3cc(C)ccc3s2)C1 ZINC001118814583 802606974 /nfs/dbraw/zinc/60/69/74/802606974.db2.gz CBHPMJVHVAMGSE-CYBMUJFWSA-N 1 1 288.416 3.382 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2nc3cc(C)ccc3s2)C1 ZINC001118814583 802606976 /nfs/dbraw/zinc/60/69/76/802606976.db2.gz CBHPMJVHVAMGSE-CYBMUJFWSA-N 1 1 288.416 3.382 20 30 CGEDMO C=CCc1cc(OCC)cc(C[N@H+]2CC[C@H](CF)C2)c1O ZINC001119332235 802650060 /nfs/dbraw/zinc/65/00/60/802650060.db2.gz UENOSXILTAYIGS-CYBMUJFWSA-N 1 1 293.382 3.311 20 30 CGEDMO Cc1csc(C[C@H]2CCC[N@H+](CC3(C#N)CC3)C2)n1 ZINC001119437745 802664174 /nfs/dbraw/zinc/66/41/74/802664174.db2.gz DPTJKPSXMVITEW-CYBMUJFWSA-N 1 1 275.421 3.010 20 30 CGEDMO Cc1csc(C[C@H]2CCC[N@@H+](CC3(C#N)CC3)C2)n1 ZINC001119437745 802664179 /nfs/dbraw/zinc/66/41/79/802664179.db2.gz DPTJKPSXMVITEW-CYBMUJFWSA-N 1 1 275.421 3.010 20 30 CGEDMO C=CCCCC[C@H](C)[NH2+]Cc1nc(C(F)(F)F)n[nH]1 ZINC001184454033 810201040 /nfs/dbraw/zinc/20/10/40/810201040.db2.gz ZRDKMYDEKXHOOU-VIFPVBQESA-N 1 1 276.306 3.048 20 30 CGEDMO N#Cc1cccc(CN[C@@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC001256894939 807000327 /nfs/dbraw/zinc/00/03/27/807000327.db2.gz OOYGNLCZFLTREW-QGZVFWFLSA-N 1 1 283.419 3.055 20 30 CGEDMO N#Cc1cccc(CN[C@@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC001256894939 807000337 /nfs/dbraw/zinc/00/03/37/807000337.db2.gz OOYGNLCZFLTREW-QGZVFWFLSA-N 1 1 283.419 3.055 20 30 CGEDMO C=C(CC)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001123656264 802960875 /nfs/dbraw/zinc/96/08/75/802960875.db2.gz CMLSEEBISBIBGS-WBVHZDCISA-N 1 1 286.419 3.122 20 30 CGEDMO C=CC1(CC(=O)N2CC[N@H+](C)C[C@@H]2CC)CCCCC1 ZINC001129307106 803226990 /nfs/dbraw/zinc/22/69/90/803226990.db2.gz NIDJGJJQXUCXEX-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C2CC2)CC[C@@H]1C ZINC001131731025 803338562 /nfs/dbraw/zinc/33/85/62/803338562.db2.gz TVBLPTDLZNROJS-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccccc2)CC[C@H]1C ZINC001131750866 803340907 /nfs/dbraw/zinc/34/09/07/803340907.db2.gz BNVSCZMBIVUWNH-WBVHZDCISA-N 1 1 286.419 3.236 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)CCCC)CC[C@@H]1C ZINC001131856320 803351725 /nfs/dbraw/zinc/35/17/25/803351725.db2.gz KYVPAXZHPOQBKG-GJZGRUSLSA-N 1 1 266.429 3.112 20 30 CGEDMO CC#CC[N@H+]1C[C@@H](NC(=O)CCCC(C)(C)C)CC[C@@H]1C ZINC001131943063 803359908 /nfs/dbraw/zinc/35/99/08/803359908.db2.gz JMNMVTAHTVKGQR-HOTGVXAUSA-N 1 1 292.467 3.195 20 30 CGEDMO C#CCCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCC(C)C)C1 ZINC001131977439 803363669 /nfs/dbraw/zinc/36/36/69/803363669.db2.gz XFNKDGILLPCWML-IRXDYDNUSA-N 1 1 292.467 3.195 20 30 CGEDMO CCCCCC[N@H+]1C[C@@H](NC(=O)C#CC(C)C)CC[C@H]1C ZINC001132024116 803368411 /nfs/dbraw/zinc/36/84/11/803368411.db2.gz CZZDWAZZBQBAEO-SJORKVTESA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CC2CC2)C1 ZINC001132057227 803369299 /nfs/dbraw/zinc/36/92/99/803369299.db2.gz LLBVNMPHWMCMKA-WMLDXEAASA-N 1 1 290.451 3.134 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC2CCC2)C1 ZINC001132071670 803371231 /nfs/dbraw/zinc/37/12/31/803371231.db2.gz DCLJQZLTLSHBDF-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)C2(C3CC3)CC2)CC[C@@H]1C ZINC001132119693 803374554 /nfs/dbraw/zinc/37/45/54/803374554.db2.gz GYLARFKNWQXSJX-HOCLYGCPSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C/C(C)=C\CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCC(=C)C)C1 ZINC001132228382 803383580 /nfs/dbraw/zinc/38/35/80/803383580.db2.gz QBLVEKNQJJWBMX-XJBCQWDLSA-N 1 1 290.451 3.444 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](C/C=C\Cl)C1 ZINC001132249089 803386842 /nfs/dbraw/zinc/38/68/42/803386842.db2.gz LKNGHCLGVORNDA-FKVJTVNASA-N 1 1 284.831 3.064 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](C/C=C\Cl)C1 ZINC001132249089 803386852 /nfs/dbraw/zinc/38/68/52/803386852.db2.gz LKNGHCLGVORNDA-FKVJTVNASA-N 1 1 284.831 3.064 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCCC=C)C1 ZINC001132256960 803389373 /nfs/dbraw/zinc/38/93/73/803389373.db2.gz RMBYJRQOJBEBRN-CVEARBPZSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)C2CC3(CC3)C2)CC[C@H]1C ZINC001132291295 803392836 /nfs/dbraw/zinc/39/28/36/803392836.db2.gz IYFKOWGZIGWKRA-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(C)C)C1 ZINC001132331913 803396515 /nfs/dbraw/zinc/39/65/15/803396515.db2.gz QCHGPQFWLFJYII-HUUCEWRRSA-N 1 1 280.456 3.214 20 30 CGEDMO C[C@@]1(F)CCC[N@@H+](Cc2ccc(OCC#N)cc2)CC1 ZINC001137114731 803685037 /nfs/dbraw/zinc/68/50/37/803685037.db2.gz WLWRJQIPLLQYMS-MRXNPFEDSA-N 1 1 276.355 3.303 20 30 CGEDMO COc1ccc(Cl)c(C[N@@H+]2CCC[C@H](C#N)CC2)c1 ZINC001137265066 803704162 /nfs/dbraw/zinc/70/41/62/803704162.db2.gz KZZFBWAYLFIBJA-LBPRGKRZSA-N 1 1 278.783 3.474 20 30 CGEDMO COc1ccc(Cl)c(C[N@H+]2CCC[C@H](C#N)CC2)c1 ZINC001137265066 803704164 /nfs/dbraw/zinc/70/41/64/803704164.db2.gz KZZFBWAYLFIBJA-LBPRGKRZSA-N 1 1 278.783 3.474 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]2)CC1 ZINC001137319357 803714209 /nfs/dbraw/zinc/71/42/09/803714209.db2.gz YAVXOXXKXRWZNZ-CYBMUJFWSA-N 1 1 253.349 3.294 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC001137393818 803727805 /nfs/dbraw/zinc/72/78/05/803727805.db2.gz KHMVJNJQIZNYAR-INIZCTEOSA-N 1 1 277.371 3.484 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC001137393818 803727807 /nfs/dbraw/zinc/72/78/07/803727807.db2.gz KHMVJNJQIZNYAR-INIZCTEOSA-N 1 1 277.371 3.484 20 30 CGEDMO N#C[C@@H]1CC[N@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC001137394077 803728061 /nfs/dbraw/zinc/72/80/61/803728061.db2.gz YJVVAPDWWCHZOJ-HNNXBMFYSA-N 1 1 263.344 3.094 20 30 CGEDMO N#C[C@@H]1CC[N@@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC001137394077 803728064 /nfs/dbraw/zinc/72/80/64/803728064.db2.gz YJVVAPDWWCHZOJ-HNNXBMFYSA-N 1 1 263.344 3.094 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2cccc(-c3cncnc3)c2)CC1 ZINC001137770261 803771249 /nfs/dbraw/zinc/77/12/49/803771249.db2.gz DRVNQJHKIHYGIR-HNNXBMFYSA-N 1 1 292.386 3.269 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(O)c3ccccc23)C1 ZINC001138061724 803844008 /nfs/dbraw/zinc/84/40/08/803844008.db2.gz SISVJQPXQOCLJN-AWEZNQCLSA-N 1 1 265.356 3.391 20 30 CGEDMO O[C@@H]1CCC[N@@H+](Cc2ccc(C#Cc3ccccc3)cc2)C1 ZINC001138333653 803897607 /nfs/dbraw/zinc/89/76/07/803897607.db2.gz KHXOLUFMZLLGFG-HXUWFJFHSA-N 1 1 291.394 3.043 20 30 CGEDMO C#CCOc1ccc(C[N@@H+](CC2CC2)C(C)C)cc1OC ZINC001138345475 803898489 /nfs/dbraw/zinc/89/84/89/803898489.db2.gz IOLNUAVVYBGVFS-UHFFFAOYSA-N 1 1 287.403 3.328 20 30 CGEDMO C#CC[NH+](CC#C)Cc1c(OCC)ccc2ccccc21 ZINC001138444735 803938440 /nfs/dbraw/zinc/93/84/40/803938440.db2.gz DYFFPGCXPOANSM-UHFFFAOYSA-N 1 1 277.367 3.307 20 30 CGEDMO COc1ccc2[nH]cc(C[N@H+]3CCC[C@@H](C#N)CC3)c2c1 ZINC001138510665 803955142 /nfs/dbraw/zinc/95/51/42/803955142.db2.gz FLBIHLAPSHGBJN-CYBMUJFWSA-N 1 1 283.375 3.302 20 30 CGEDMO C=CCN1CC[NH+](Cc2cnc(-c3ccccc3)s2)CC1 ZINC001138529895 803962050 /nfs/dbraw/zinc/96/20/50/803962050.db2.gz XSMDNBIAPYOAOW-UHFFFAOYSA-N 1 1 299.443 3.114 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)cc1 ZINC001138557368 803966059 /nfs/dbraw/zinc/96/60/59/803966059.db2.gz IMVFLWDJOUMVFH-CYBMUJFWSA-N 1 1 283.293 3.083 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2CC[C@](C)(F)[C@@H](F)C2)c1O ZINC001138625464 803982218 /nfs/dbraw/zinc/98/22/18/803982218.db2.gz LUJPRPRZYJBSDU-HOCLYGCPSA-N 1 1 281.346 3.393 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2C[C@H](C)CC23CC3)c1O ZINC001138630404 803984939 /nfs/dbraw/zinc/98/49/39/803984939.db2.gz WDICNILKBOWDRJ-CYBMUJFWSA-N 1 1 257.377 3.495 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CCC[C@@H]2c2cnccn2)c1O ZINC001138628361 803985436 /nfs/dbraw/zinc/98/54/36/803985436.db2.gz TTXSIIBMDMLUIQ-QGZVFWFLSA-N 1 1 295.386 3.248 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2CCN(CC)CC2(C)C)c1O ZINC001138630981 803985580 /nfs/dbraw/zinc/98/55/80/803985580.db2.gz HPKUBPBVMUFJJL-UHFFFAOYSA-N 1 1 288.435 3.037 20 30 CGEDMO C=CCc1cccc(CN2CC[N@@H+](CC)CC2(C)C)c1O ZINC001138630981 803985585 /nfs/dbraw/zinc/98/55/85/803985585.db2.gz HPKUBPBVMUFJJL-UHFFFAOYSA-N 1 1 288.435 3.037 20 30 CGEDMO C=CCc1cccc(CN2CC[N@H+](CC)CC2(C)C)c1O ZINC001138630981 803985591 /nfs/dbraw/zinc/98/55/91/803985591.db2.gz HPKUBPBVMUFJJL-UHFFFAOYSA-N 1 1 288.435 3.037 20 30 CGEDMO C=CCc1cccc(C[N@H+](CC)C2CCN(C)CC2)c1O ZINC001138629107 803986322 /nfs/dbraw/zinc/98/63/22/803986322.db2.gz OGYUBGLQWGDPHE-UHFFFAOYSA-N 1 1 288.435 3.037 20 30 CGEDMO C=CCc1cccc(C[N@@H+](C)Cc2ccccc2O)c1O ZINC001138629900 803986379 /nfs/dbraw/zinc/98/63/79/803986379.db2.gz KEXNDOFCYFDBHR-UHFFFAOYSA-N 1 1 283.371 3.458 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1CCC[C@@H](C)[C@H]1CO ZINC001138662318 803993880 /nfs/dbraw/zinc/99/38/80/803993880.db2.gz UFQQSGSSBYJIDF-NVXWUHKLSA-N 1 1 289.419 3.234 20 30 CGEDMO CCSc1ncc(C[N@H+](C)Cc2cccc(C#N)c2)cn1 ZINC001138658601 803994023 /nfs/dbraw/zinc/99/40/23/803994023.db2.gz WUAHBYXYZPJKNH-UHFFFAOYSA-N 1 1 298.415 3.092 20 30 CGEDMO CCSc1ncc(C[N@@H+](C)Cc2cccc(C#N)c2)cn1 ZINC001138658601 803994029 /nfs/dbraw/zinc/99/40/29/803994029.db2.gz WUAHBYXYZPJKNH-UHFFFAOYSA-N 1 1 298.415 3.092 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3)c2)CC1 ZINC001138766731 804034826 /nfs/dbraw/zinc/03/48/26/804034826.db2.gz YWOXXMJCTSVGHZ-INIZCTEOSA-N 1 1 294.402 3.057 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[NH2+][C@H]1CCC[C@H]1N ZINC001246003871 804097993 /nfs/dbraw/zinc/09/79/93/804097993.db2.gz VQFMRDWWMMLTPP-ZACQAIPSSA-N 1 1 284.488 3.348 20 30 CGEDMO C=CCCCCCC[C@H](O)CN(C)[C@H]1CCCC[C@@H]1[NH3+] ZINC001246068616 804109158 /nfs/dbraw/zinc/10/91/58/804109158.db2.gz WFIINFKXRBQJSM-ULQDDVLXSA-N 1 1 282.472 3.076 20 30 CGEDMO CCCCCCCCC[C@@H](C)N[C@@H]1C[NH2+]CCOC1 ZINC001246093555 804125807 /nfs/dbraw/zinc/12/58/07/804125807.db2.gz OKUYBLFEWBJDNT-HZPDHXFCSA-N 1 1 270.461 3.094 20 30 CGEDMO COc1ccc2c(c1)c(C[N@H+]1CCC[C@H](C#N)CC1)cn2C ZINC001139147761 804137783 /nfs/dbraw/zinc/13/77/83/804137783.db2.gz PBLSOOCJNOVUGO-AWEZNQCLSA-N 1 1 297.402 3.313 20 30 CGEDMO C=C1C[C@@H]2CC([NH2+]C[C@@H]3CC[C@H](C)CN3)C[C@H](C1)C2 ZINC001246109527 804141451 /nfs/dbraw/zinc/14/14/51/804141451.db2.gz XWCUMKNNAJHXLE-ITPJMLCISA-N 1 1 262.441 3.099 20 30 CGEDMO N#CCC1C[NH+](Cc2ccc(-c3ccsc3)nc2)C1 ZINC001139500839 804195906 /nfs/dbraw/zinc/19/59/06/804195906.db2.gz CRZHURJGWYLNMD-UHFFFAOYSA-N 1 1 269.373 3.156 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1N1CCOCC1)C(C)(C)C ZINC001139510134 804197132 /nfs/dbraw/zinc/19/71/32/804197132.db2.gz UJUNGPYFIGVDAC-UHFFFAOYSA-N 1 1 288.435 3.310 20 30 CGEDMO CCCCC[C@H]([NH3+])c1nc(-c2cccc(C#N)c2)no1 ZINC001212273530 815000036 /nfs/dbraw/zinc/00/00/36/815000036.db2.gz YRWJFMRJZNREGI-ZDUSSCGKSA-N 1 1 270.336 3.188 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC001139555425 804207599 /nfs/dbraw/zinc/20/75/99/804207599.db2.gz WVEJUXDBKWZAJU-AWEZNQCLSA-N 1 1 280.375 3.202 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC001139555425 804207606 /nfs/dbraw/zinc/20/76/06/804207606.db2.gz WVEJUXDBKWZAJU-AWEZNQCLSA-N 1 1 280.375 3.202 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC001139555425 804207612 /nfs/dbraw/zinc/20/76/12/804207612.db2.gz WVEJUXDBKWZAJU-AWEZNQCLSA-N 1 1 280.375 3.202 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC001139555425 804207618 /nfs/dbraw/zinc/20/76/18/804207618.db2.gz WVEJUXDBKWZAJU-AWEZNQCLSA-N 1 1 280.375 3.202 20 30 CGEDMO C[C@@]1(F)CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC001139647319 804243627 /nfs/dbraw/zinc/24/36/27/804243627.db2.gz VXXDAMRTIPFHRY-OAHLLOKOSA-N 1 1 264.319 3.411 20 30 CGEDMO C[C@]1(F)CCCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001139646785 804243912 /nfs/dbraw/zinc/24/39/12/804243912.db2.gz LZSBTIZRPIBOAQ-HNNXBMFYSA-N 1 1 264.319 3.411 20 30 CGEDMO C[C@]1(F)CCCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001139646785 804243919 /nfs/dbraw/zinc/24/39/19/804243919.db2.gz LZSBTIZRPIBOAQ-HNNXBMFYSA-N 1 1 264.319 3.411 20 30 CGEDMO C#Cc1ccc(CN[C@H]2CC[NH2+][C@H](CCCC)C2)cc1 ZINC001246268951 804248351 /nfs/dbraw/zinc/24/83/51/804248351.db2.gz XQKMGCKAICCPSO-MSOLQXFVSA-N 1 1 270.420 3.068 20 30 CGEDMO CC[N@@H+](Cc1cccc(Cl)c1C#N)C1CCOCC1 ZINC001139690423 804255239 /nfs/dbraw/zinc/25/52/39/804255239.db2.gz AZESBFBFSSSKOU-UHFFFAOYSA-N 1 1 278.783 3.213 20 30 CGEDMO CC(C)[N@H+]1CCN(Cc2cccc(Cl)c2C#N)C[C@@H]1C ZINC001139693169 804256725 /nfs/dbraw/zinc/25/67/25/804256725.db2.gz RUNIHIPCCYLJIV-ZDUSSCGKSA-N 1 1 291.826 3.126 20 30 CGEDMO C[N@@H+](Cc1cccc(Cl)c1C#N)C[C@@H]1CCCCO1 ZINC001139690993 804256787 /nfs/dbraw/zinc/25/67/87/804256787.db2.gz OEHJCLLLEJYOLH-ZDUSSCGKSA-N 1 1 278.783 3.213 20 30 CGEDMO C[N@H+](Cc1cccc(Cl)c1C#N)C[C@@H]1CCCCO1 ZINC001139690993 804256790 /nfs/dbraw/zinc/25/67/90/804256790.db2.gz OEHJCLLLEJYOLH-ZDUSSCGKSA-N 1 1 278.783 3.213 20 30 CGEDMO N#Cc1c(Cl)cccc1C[N@@H+]1C[C@@H]2CCCC(=O)[C@H]2C1 ZINC001139692454 804256893 /nfs/dbraw/zinc/25/68/93/804256893.db2.gz ACIHWBLVJKTKDB-JSGCOSHPSA-N 1 1 288.778 3.013 20 30 CGEDMO N#Cc1c(Cl)cccc1C[N@H+]1C[C@@H]2CCCC(=O)[C@H]2C1 ZINC001139692454 804256899 /nfs/dbraw/zinc/25/68/99/804256899.db2.gz ACIHWBLVJKTKDB-JSGCOSHPSA-N 1 1 288.778 3.013 20 30 CGEDMO Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)cc1C#N ZINC001139723680 804267494 /nfs/dbraw/zinc/26/74/94/804267494.db2.gz CZROTJCKOWPMCP-GASCZTMLSA-N 1 1 276.330 3.344 20 30 CGEDMO CCCC[C@H]1C[C@H](N[C@@H]2CCc3c2cccc3C#N)CC[NH2+]1 ZINC001246309620 804271705 /nfs/dbraw/zinc/27/17/05/804271705.db2.gz VTNHKTVRIDXKSA-FRQCXROJSA-N 1 1 297.446 3.446 20 30 CGEDMO C=CCn1cc(C[N@H+](C)[C@H](C)c2ccc(OC)cc2)cn1 ZINC001139772922 804279437 /nfs/dbraw/zinc/27/94/37/804279437.db2.gz UCQGBVNJFXGTAM-CQSZACIVSA-N 1 1 285.391 3.271 20 30 CGEDMO Cc1ccc(C[N@@H+](C)Cc2cc(F)cc(C#N)c2)cn1 ZINC001139878827 804307480 /nfs/dbraw/zinc/30/74/80/804307480.db2.gz YBIVKZGYGDYGAK-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO Cc1ccc(C[N@H+](C)Cc2cc(F)cc(C#N)c2)cn1 ZINC001139878827 804307490 /nfs/dbraw/zinc/30/74/90/804307490.db2.gz YBIVKZGYGDYGAK-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO CC(C)NCC[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246451885 804335632 /nfs/dbraw/zinc/33/56/32/804335632.db2.gz ICGJZNYHZWNAOU-UHFFFAOYSA-N 1 1 285.435 3.172 20 30 CGEDMO CC[C@H]1CCC[N@H+]1Cc1c[nH]c2ccc(C#N)cc12 ZINC001140113835 804381048 /nfs/dbraw/zinc/38/10/48/804381048.db2.gz FGKMVFBTYROHTB-AWEZNQCLSA-N 1 1 253.349 3.414 20 30 CGEDMO CC1(C)C[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)CCCO1 ZINC001140115053 804381152 /nfs/dbraw/zinc/38/11/52/804381152.db2.gz LAWFODWMJAGDLD-UHFFFAOYSA-N 1 1 283.375 3.040 20 30 CGEDMO COCC[C@@H]1CCCC[N@H+]1Cc1c[nH]c2ccc(C#N)cc12 ZINC001140114527 804381483 /nfs/dbraw/zinc/38/14/83/804381483.db2.gz SSDKHYFDYYGTSH-INIZCTEOSA-N 1 1 297.402 3.431 20 30 CGEDMO C[C@]1(F)CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001140136077 804384589 /nfs/dbraw/zinc/38/45/89/804384589.db2.gz IORFAKHLCJQTFN-HNNXBMFYSA-N 1 1 264.319 3.411 20 30 CGEDMO Cn1cnc2cc(C[N@@H+](CCC#N)C3CCCC3)ccc21 ZINC001140507633 804449174 /nfs/dbraw/zinc/44/91/74/804449174.db2.gz LLMSXBMXKQTJJQ-UHFFFAOYSA-N 1 1 282.391 3.232 20 30 CGEDMO N#Cc1ccc(C[N@@H+](Cc2ccccc2)C2CC2)cn1 ZINC001140545390 804458488 /nfs/dbraw/zinc/45/84/88/804458488.db2.gz CJSSODKHVLBULN-UHFFFAOYSA-N 1 1 263.344 3.118 20 30 CGEDMO CCCCCCC[C@@H](CCC)[N@@H+]1C[C@H]2CNC[C@@H](C1)O2 ZINC001246677890 804492666 /nfs/dbraw/zinc/49/26/66/804492666.db2.gz KBCOLERIBOHJCW-ZACQAIPSSA-N 1 1 282.472 3.188 20 30 CGEDMO CCCCCCC[C@@H](CCC)N1C[C@H]2C[NH2+]C[C@@H](C1)O2 ZINC001246677890 804492671 /nfs/dbraw/zinc/49/26/71/804492671.db2.gz KBCOLERIBOHJCW-ZACQAIPSSA-N 1 1 282.472 3.188 20 30 CGEDMO CC[C@@H]1C[C@@H](N(C)Cc2ccc(C#N)cc2)C[C@H](CC)[NH2+]1 ZINC001246771244 804502336 /nfs/dbraw/zinc/50/23/36/804502336.db2.gz XLKKUJCDPWOIDE-BCDXTJNWSA-N 1 1 285.435 3.299 20 30 CGEDMO CC[C@H]1CC(N(C)Cc2ccc(C#N)cc2)C[C@H](CC)[NH2+]1 ZINC001246771259 804504617 /nfs/dbraw/zinc/50/46/17/804504617.db2.gz XLKKUJCDPWOIDE-IRXDYDNUSA-N 1 1 285.435 3.299 20 30 CGEDMO N#CCC1CCN([C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256919735 807011608 /nfs/dbraw/zinc/01/16/08/807011608.db2.gz YTAVMEFLKZZPNV-QGZVFWFLSA-N 1 1 275.440 3.019 20 30 CGEDMO N#CCC1CC[NH+]([C@@H]2CCCN(C3CCCC3)C2)CC1 ZINC001256919735 807011613 /nfs/dbraw/zinc/01/16/13/807011613.db2.gz YTAVMEFLKZZPNV-QGZVFWFLSA-N 1 1 275.440 3.019 20 30 CGEDMO CC(C)O[C@H]1CC[N@H+](Cc2cccc(C#N)c2Cl)C1 ZINC001140813027 804527468 /nfs/dbraw/zinc/52/74/68/804527468.db2.gz SYEGCPCVHJHTOK-AWEZNQCLSA-N 1 1 278.783 3.211 20 30 CGEDMO CC(C)O[C@H]1CC[N@@H+](Cc2cccc(C#N)c2Cl)C1 ZINC001140813027 804527473 /nfs/dbraw/zinc/52/74/73/804527473.db2.gz SYEGCPCVHJHTOK-AWEZNQCLSA-N 1 1 278.783 3.211 20 30 CGEDMO N#CC1CCC([N@H+]2CCCC[C@@H]2CN2CCCC2)CC1 ZINC001256968849 807018259 /nfs/dbraw/zinc/01/82/59/807018259.db2.gz PHTMUGIRXYQWKR-OFLPRAFFSA-N 1 1 275.440 3.019 20 30 CGEDMO N#CC1CCC(N2CCCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC001256968849 807018263 /nfs/dbraw/zinc/01/82/63/807018263.db2.gz PHTMUGIRXYQWKR-OFLPRAFFSA-N 1 1 275.440 3.019 20 30 CGEDMO CN1CC[N@@H+](C2CCC(C#N)CC2)[C@H](c2ccccc2)C1 ZINC001256965331 807018358 /nfs/dbraw/zinc/01/83/58/807018358.db2.gz ROCKLZDWTMIDMR-VJFUWPCTSA-N 1 1 283.419 3.057 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCNC[C@H]1c1cccs1 ZINC001246882583 804578386 /nfs/dbraw/zinc/57/83/86/804578386.db2.gz AKAKIHADGCEUEL-OLZOCXBDSA-N 1 1 250.411 3.049 20 30 CGEDMO C=CCC[C@@H](C)N1CC[NH2+]C[C@H]1c1cccs1 ZINC001246882583 804578393 /nfs/dbraw/zinc/57/83/93/804578393.db2.gz AKAKIHADGCEUEL-OLZOCXBDSA-N 1 1 250.411 3.049 20 30 CGEDMO COc1ccc2nccc(C[N@H+]3CCC[C@H](CC#N)C3)c2c1 ZINC001141150928 804599085 /nfs/dbraw/zinc/59/90/85/804599085.db2.gz TXVRPYQPHJALHR-CQSZACIVSA-N 1 1 295.386 3.369 20 30 CGEDMO N#Cc1cc(F)ccc1C[NH+]1CCC2(CC(F)C2)CC1 ZINC001141163511 804601835 /nfs/dbraw/zinc/60/18/35/804601835.db2.gz HQOHECBTPQUJOJ-UHFFFAOYSA-N 1 1 276.330 3.411 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+](C3CC3)[C@H]3CCCNC3)C[C@H](C1)C2 ZINC001246923443 804601785 /nfs/dbraw/zinc/60/17/85/804601785.db2.gz ZGSCOOSGAUCFGD-HZSIZEEPSA-N 1 1 274.452 3.338 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+](C3CC3)[C@H]3CCCNC3)C[C@H](C1)C2 ZINC001246923443 804601790 /nfs/dbraw/zinc/60/17/90/804601790.db2.gz ZGSCOOSGAUCFGD-HZSIZEEPSA-N 1 1 274.452 3.338 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001141163575 804602211 /nfs/dbraw/zinc/60/22/11/804602211.db2.gz LDJMQXGDYJVEGF-RISCZKNCSA-N 1 1 280.293 3.174 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001141163575 804602217 /nfs/dbraw/zinc/60/22/17/804602217.db2.gz LDJMQXGDYJVEGF-RISCZKNCSA-N 1 1 280.293 3.174 20 30 CGEDMO CCCCCCC[C@H](CCC)[N@H+]1CC[C@@](N)(C(=O)OC)C1 ZINC001246926166 804603900 /nfs/dbraw/zinc/60/39/00/804603900.db2.gz SHYQEWWBGDNMJQ-RDJZCZTQSA-N 1 1 298.471 3.092 20 30 CGEDMO CCCCCCCCNC(=S)N[C@]1(C)CCC[N@@H+](C)C1 ZINC001247185910 804677322 /nfs/dbraw/zinc/67/73/22/804677322.db2.gz BPRXIQUUXJKOTM-MRXNPFEDSA-N 1 1 299.528 3.295 20 30 CGEDMO CSc1nc(C[N@H+]2CCCCC[C@H]2C)ccc1C#N ZINC001141938784 804680523 /nfs/dbraw/zinc/68/05/23/804680523.db2.gz HWPIWRMTGLXGQF-GFCCVEGCSA-N 1 1 275.421 3.440 20 30 CGEDMO CC(C)(C)c1ccc(-c2noc(C[NH2+]C3CC3)n2)c(C#N)c1 ZINC001247463795 804746039 /nfs/dbraw/zinc/74/60/39/804746039.db2.gz KWVTYYITBFFHNM-UHFFFAOYSA-N 1 1 296.374 3.158 20 30 CGEDMO C#CC[C@H]([NH3+])c1nc(-c2ccc(C)cc2C(F)(F)F)no1 ZINC001247610388 804780106 /nfs/dbraw/zinc/78/01/06/804780106.db2.gz ZJPALUFKEMJRII-NSHDSACASA-N 1 1 295.264 3.087 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2cccc3cccnc32)no1 ZINC001247623007 804784659 /nfs/dbraw/zinc/78/46/59/804784659.db2.gz UVZSMMPNCVYJOB-ZDUSSCGKSA-N 1 1 280.331 3.251 20 30 CGEDMO CC[N@@H+](Cc1c[nH]c2cc(C#N)ccc12)Cc1ccccn1 ZINC001142922380 804785013 /nfs/dbraw/zinc/78/50/13/804785013.db2.gz GCZMGMUVGPHZPS-UHFFFAOYSA-N 1 1 290.370 3.457 20 30 CGEDMO CC(C)[N@@H+](Cc1c[nH]c2cc(C#N)ccc12)C1CCOCC1 ZINC001142930570 804785955 /nfs/dbraw/zinc/78/59/55/804785955.db2.gz KVYJERDEXNPDRN-UHFFFAOYSA-N 1 1 297.402 3.429 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cccc2n[nH]cc21 ZINC001143099149 804800092 /nfs/dbraw/zinc/80/00/92/804800092.db2.gz JGDQUULSWAZMHA-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO COc1c(F)ccc(C[NH+]2CCC(CC#N)CC2)c1F ZINC001143317774 804834885 /nfs/dbraw/zinc/83/48/85/804834885.db2.gz BUDVXQNJFJUWJI-UHFFFAOYSA-N 1 1 280.318 3.099 20 30 CGEDMO COc1cc(C[NH+]2CCC(C#N)CC2)ccc1C(F)(F)F ZINC001143342335 804837782 /nfs/dbraw/zinc/83/77/82/804837782.db2.gz FZVDKLLFJASFCI-UHFFFAOYSA-N 1 1 298.308 3.450 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2ccc(C)c(Cl)c2)no1 ZINC001247966710 804858330 /nfs/dbraw/zinc/85/83/30/804858330.db2.gz DWRQYOSFRQNITI-NSHDSACASA-N 1 1 263.728 3.274 20 30 CGEDMO C=CC[N@@H+](C)Cc1cc(OC(F)(F)F)ccc1OC ZINC001144005443 804921904 /nfs/dbraw/zinc/92/19/04/804921904.db2.gz RVNPCVZRCWBXMY-UHFFFAOYSA-N 1 1 275.270 3.212 20 30 CGEDMO C=CC[N@H+](C)Cc1cc(OC(F)(F)F)ccc1OC ZINC001144005443 804921908 /nfs/dbraw/zinc/92/19/08/804921908.db2.gz RVNPCVZRCWBXMY-UHFFFAOYSA-N 1 1 275.270 3.212 20 30 CGEDMO C[N@H+](Cc1[nH]nc2ccc(F)cc21)Cc1ccc(C#N)cc1 ZINC001144197249 804951868 /nfs/dbraw/zinc/95/18/68/804951868.db2.gz RGGIIHRABQHNNM-UHFFFAOYSA-N 1 1 294.333 3.206 20 30 CGEDMO C[N@@H+](Cc1[nH]nc2ccc(F)cc21)Cc1ccc(C#N)cc1 ZINC001144197249 804951873 /nfs/dbraw/zinc/95/18/73/804951873.db2.gz RGGIIHRABQHNNM-UHFFFAOYSA-N 1 1 294.333 3.206 20 30 CGEDMO Cc1ccc2c(C[N@H+]3CC[C@@](C)(C#N)C3)cccc2n1 ZINC001248578150 804957468 /nfs/dbraw/zinc/95/74/68/804957468.db2.gz YEZCXMUFMCSFCF-KRWDZBQOSA-N 1 1 265.360 3.279 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001248748368 804982230 /nfs/dbraw/zinc/98/22/30/804982230.db2.gz HKGONWSMJSLDPZ-SJLPKXTDSA-N 1 1 284.403 3.122 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC001248752484 804984505 /nfs/dbraw/zinc/98/45/05/804984505.db2.gz NBWVBXKVXYKXCS-SFHVURJKSA-N 1 1 284.403 3.123 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC[C@H](Oc3cccnc3)C2)cc1 ZINC001144573591 805008118 /nfs/dbraw/zinc/00/81/18/805008118.db2.gz MHQWECIYOYMJLA-IBGZPJMESA-N 1 1 292.382 3.106 20 30 CGEDMO N#Cc1ccn2ncc(C[N@H+]3CCC34CCCCC4)c2c1 ZINC001249087192 805086762 /nfs/dbraw/zinc/08/67/62/805086762.db2.gz XVKZGRCHEDYKBB-UHFFFAOYSA-N 1 1 280.375 3.115 20 30 CGEDMO C=CCCC(=O)N1CC2(C1)CC[N@H+](CCCC(C)(C)C)C2 ZINC001147181744 805114794 /nfs/dbraw/zinc/11/47/94/805114794.db2.gz NHHTUYXZBYHWBN-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO N#Cc1cccc(-c2noc([C@@H]([NH3+])CC3CCCC3)n2)c1 ZINC001249218682 805114769 /nfs/dbraw/zinc/11/47/69/805114769.db2.gz NMRPXSIAACIYRN-AWEZNQCLSA-N 1 1 282.347 3.188 20 30 CGEDMO N#Cc1ccc2cc(C[NH+]3CCC(F)(F)CC3)[nH]c2c1 ZINC001249426019 805144517 /nfs/dbraw/zinc/14/45/17/805144517.db2.gz AWSWSQIJINJBCL-UHFFFAOYSA-N 1 1 275.302 3.271 20 30 CGEDMO N#Cc1ccc2cc(C[N@H+]3CCC[C@]4(CCOC4)C3)[nH]c2c1 ZINC001249427302 805146903 /nfs/dbraw/zinc/14/69/03/805146903.db2.gz YHKWGZQVKXHUCI-SFHVURJKSA-N 1 1 295.386 3.042 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(-c2ccc(N(C)C)cc2)cc1 ZINC001249442583 805151774 /nfs/dbraw/zinc/15/17/74/805151774.db2.gz UMYBZLIQFKAHOO-UHFFFAOYSA-N 1 1 278.399 3.485 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC2(C1)CC[N@H+](CCCC(C)C)C2 ZINC001148025323 805160628 /nfs/dbraw/zinc/16/06/28/805160628.db2.gz YOJSBSAKZRBBHD-UHFFFAOYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@H](C)CC(=C)C)C2)C1 ZINC001148147650 805164295 /nfs/dbraw/zinc/16/42/95/805164295.db2.gz XIHAVGHPNXLDHB-MRXNPFEDSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](CC=C(C)C)C2 ZINC001148129668 805164421 /nfs/dbraw/zinc/16/44/21/805164421.db2.gz HJKJNIJPHNPSEN-INIZCTEOSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCCCC(=O)N1CC2(C1)CC[N@H+](CC(CC)CC)C2 ZINC001148199648 805168368 /nfs/dbraw/zinc/16/83/68/805168368.db2.gz NSCSTIXCIUXMCR-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO CCCCCCCNC(=S)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001249635299 805196095 /nfs/dbraw/zinc/19/60/95/805196095.db2.gz ANAGWLXCYUNCSP-OAHLLOKOSA-N 1 1 297.512 3.001 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)c1F ZINC001249681568 805209450 /nfs/dbraw/zinc/20/94/50/805209450.db2.gz WWESHDYZPNJFIU-GXTWGEPZSA-N 1 1 258.340 3.319 20 30 CGEDMO CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)C1CC1 ZINC001151501672 805293790 /nfs/dbraw/zinc/29/37/90/805293790.db2.gz XREPMRPXLFTPTR-CQSZACIVSA-N 1 1 268.445 3.193 20 30 CGEDMO C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)F ZINC001151501686 805294078 /nfs/dbraw/zinc/29/40/78/805294078.db2.gz YHUCXQYQLRHQSK-CQSZACIVSA-N 1 1 286.435 3.308 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)c1sccc1C ZINC001151643974 805301972 /nfs/dbraw/zinc/30/19/72/805301972.db2.gz JWJJWDTZVRDUBP-CQSZACIVSA-N 1 1 294.464 3.463 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)CCCC(C)(C)C ZINC001152379591 805347088 /nfs/dbraw/zinc/34/70/88/805347088.db2.gz VOCAIWTULPKJBD-CQSZACIVSA-N 1 1 268.445 3.215 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)c1ccsc1C ZINC001153214181 805386964 /nfs/dbraw/zinc/38/69/64/805386964.db2.gz KKIDOFODXJRLAK-CYBMUJFWSA-N 1 1 294.464 3.463 20 30 CGEDMO CCOc1cc(OC)ccc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001250063373 805397635 /nfs/dbraw/zinc/39/76/35/805397635.db2.gz XDPBKVLNMVILJX-CQSZACIVSA-N 1 1 288.391 3.220 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)CNC(=O)CCCC[C@@H](C)CC ZINC001153569969 805403154 /nfs/dbraw/zinc/40/31/54/805403154.db2.gz FULFCRMJLHWFBO-JKSUJKDBSA-N 1 1 280.456 3.053 20 30 CGEDMO C#CCCCCCC(=O)NC[C@@H](C)[N@@H+](CC)CCC(=C)C ZINC001154609572 805468143 /nfs/dbraw/zinc/46/81/43/805468143.db2.gz NGJYADYRLDYQMT-QGZVFWFLSA-N 1 1 292.467 3.363 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)CC(C)=C(C)C ZINC001154639867 805470571 /nfs/dbraw/zinc/47/05/71/805470571.db2.gz WGSSFYSMXMHJOK-CQSZACIVSA-N 1 1 286.847 3.312 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)CC(C)=C(C)C ZINC001154639867 805470576 /nfs/dbraw/zinc/47/05/76/805470576.db2.gz WGSSFYSMXMHJOK-CQSZACIVSA-N 1 1 286.847 3.312 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)C/C=C/Cl ZINC001154750893 805482471 /nfs/dbraw/zinc/48/24/71/805482471.db2.gz FGAGINSDLQMYKF-JYASZMECSA-N 1 1 286.847 3.168 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)CCC1CC1 ZINC001154751432 805482593 /nfs/dbraw/zinc/48/25/93/805482593.db2.gz WRKANAWUEMYQBP-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC1(C(=O)N2CC[N@@H+](C3CCCC3)[C@@H](C)C2)CCC1 ZINC001154890084 805505996 /nfs/dbraw/zinc/50/59/96/805505996.db2.gz UXSUHSFOCNQCCD-HNNXBMFYSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)CCC ZINC001154938664 805509717 /nfs/dbraw/zinc/50/97/17/805509717.db2.gz NWTLQPFQRFETQF-CQSZACIVSA-N 1 1 268.445 3.215 20 30 CGEDMO COc1c(C)ccc(F)c1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001250250635 805521285 /nfs/dbraw/zinc/52/12/85/805521285.db2.gz FUSNFWBLUSRRGW-ZSOGYDGISA-N 1 1 288.366 3.409 20 30 CGEDMO COc1c(C)ccc(F)c1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001250250635 805521288 /nfs/dbraw/zinc/52/12/88/805521288.db2.gz FUSNFWBLUSRRGW-ZSOGYDGISA-N 1 1 288.366 3.409 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)C/C=C\Cl)CC1 ZINC001155028203 805526502 /nfs/dbraw/zinc/52/65/02/805526502.db2.gz RESHDEIMZZAQLZ-XTXQVDMPSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCCC1(C(=O)NC[C@@H](C)[N@@H+](CC)CC2CCC2)CC1 ZINC001155037700 805527737 /nfs/dbraw/zinc/52/77/37/805527737.db2.gz ZIQSZMQJDGQXQM-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H](C)[N@@H+](CC)CCC(C)C ZINC001155041066 805528349 /nfs/dbraw/zinc/52/83/49/805528349.db2.gz NQVHIURATZBGSG-WBVHZDCISA-N 1 1 282.472 3.461 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@](C)(C=C)CC ZINC001155072950 805535088 /nfs/dbraw/zinc/53/50/88/805535088.db2.gz PTGDHSPLNJYGJM-WBVHZDCISA-N 1 1 280.456 3.382 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1CCC ZINC001155112521 805541264 /nfs/dbraw/zinc/54/12/64/805541264.db2.gz RXSLOVIROPECMB-BZUAXINKSA-N 1 1 280.456 3.215 20 30 CGEDMO N#Cc1c[nH]c2cc[nH+]c(NC[C@@H]3CCC(F)(F)C3)c12 ZINC001155173982 805548907 /nfs/dbraw/zinc/54/89/07/805548907.db2.gz PKYLMNSXLHDHAV-SECBINFHSA-N 1 1 276.290 3.282 20 30 CGEDMO Cc1c[nH+]c(Nc2ccc(OCC#N)cc2)c(C)c1 ZINC001212606295 815083654 /nfs/dbraw/zinc/08/36/54/815083654.db2.gz WJVLJSXRKMDWNH-UHFFFAOYSA-N 1 1 253.305 3.344 20 30 CGEDMO Cc1ccc(CC#N)c(N2CCO[C@H](c3ccccc3)C2)[nH+]1 ZINC001166680897 807081425 /nfs/dbraw/zinc/08/14/25/807081425.db2.gz JMATZPUFLCPTKZ-KRWDZBQOSA-N 1 1 293.370 3.034 20 30 CGEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](C1CCCCC1)C2 ZINC001257457969 807167103 /nfs/dbraw/zinc/16/71/03/807167103.db2.gz ORJVQRRNRZHSEC-QZTJIDSGSA-N 1 1 293.451 3.393 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C)cc1C)CC1(CC#N)CC1 ZINC001167227314 807169150 /nfs/dbraw/zinc/16/91/50/807169150.db2.gz KRUCUEMXMBUOJA-UHFFFAOYSA-N 1 1 286.419 3.446 20 30 CGEDMO C[C@@H]1C[C@@H]([N@@H+](C)CCC#N)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001257584510 807200442 /nfs/dbraw/zinc/20/04/42/807200442.db2.gz WJFRVTKCHDMTSH-BTTYYORXSA-N 1 1 295.427 3.008 20 30 CGEDMO C#CC[N@H+](CC)C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC001167578054 807208113 /nfs/dbraw/zinc/20/81/13/807208113.db2.gz WXXZOHNXFIXXDF-DLBZAZTESA-N 1 1 257.377 3.252 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CC[C@](C)(O)[C@@H](C)C3)C[C@H](C1)C2 ZINC001257891073 807241500 /nfs/dbraw/zinc/24/15/00/807241500.db2.gz CWLPHSINWGSXLL-REOARJMMSA-N 1 1 263.425 3.214 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CCC[C@@H](O)[C@@H](C)C3)C[C@H](C1)C2 ZINC001257891814 807242592 /nfs/dbraw/zinc/24/25/92/807242592.db2.gz PEIHQRMPXOMTBA-PQAIKRCPSA-N 1 1 263.425 3.214 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCC[C@@H](C)[C@@H]3CO)C[C@H](C1)C2 ZINC001257892473 807242828 /nfs/dbraw/zinc/24/28/28/807242828.db2.gz YZSRCLCTDFSCQE-BJCAYOAGSA-N 1 1 263.425 3.214 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCC[C@H](C(=O)OC)CC3)C[C@H](C1)C2 ZINC001257894012 807244301 /nfs/dbraw/zinc/24/43/01/807244301.db2.gz ISZFIUWKPBROFI-TVXGVJEUSA-N 1 1 291.435 3.396 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CC[C@@]4(CCN(C)C4)C3)C[C@H](C1)C2 ZINC001257895728 807245664 /nfs/dbraw/zinc/24/56/64/807245664.db2.gz ZPJUFSBFDHJWEE-UJJTZGENSA-N 1 1 274.452 3.149 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CC[C@@]4(CCN(C)C4)C3)C[C@H](C1)C2 ZINC001257895728 807245665 /nfs/dbraw/zinc/24/56/65/807245665.db2.gz ZPJUFSBFDHJWEE-UJJTZGENSA-N 1 1 274.452 3.149 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1CC[C@](F)(C(=O)OC)C1 ZINC001258044280 807273713 /nfs/dbraw/zinc/27/37/13/807273713.db2.gz KVGNEXICAZPBHV-UKRRQHHQSA-N 1 1 273.392 3.322 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1CCC[C@@H]1C(=O)OC ZINC001258045400 807274267 /nfs/dbraw/zinc/27/42/67/807274267.db2.gz ZYXADZCHUDQQCS-ZIAGYGMSSA-N 1 1 255.402 3.373 20 30 CGEDMO CCCCCCC[C@H](C)[N@@H+](C[C@@H](O)CO)C(C)(C)C ZINC001258044584 807274443 /nfs/dbraw/zinc/27/44/43/807274443.db2.gz RKJYAVZQPCZQDU-LSDHHAIUSA-N 1 1 273.461 3.189 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@H]1C[C@@H](OCCCC)C1(C)C ZINC001167960122 807286815 /nfs/dbraw/zinc/28/68/15/807286815.db2.gz SGOGGIAEEFTIRE-HRCADAONSA-N 1 1 283.456 3.229 20 30 CGEDMO C#CC1([NH2+]C2C[C@@H](C)N(Cc3ccccc3)[C@H](C)C2)CC1 ZINC001168029575 807301396 /nfs/dbraw/zinc/30/13/96/807301396.db2.gz TUWMCYNSYJYXGN-HZPDHXFCSA-N 1 1 282.431 3.183 20 30 CGEDMO CCOC(=O)CCC[C@H](C)[N@@H+](CCC#N)C1CCCC1 ZINC001258127168 807317750 /nfs/dbraw/zinc/31/77/50/807317750.db2.gz MRSVJUXRUOMMHQ-AWEZNQCLSA-N 1 1 280.412 3.267 20 30 CGEDMO COc1ccc2c(c1)C[C@H]([N@@H+](C)Cc1ccc(C#N)cc1)C2 ZINC001168271896 807368502 /nfs/dbraw/zinc/36/85/02/807368502.db2.gz GBWOLAZQTGIAMB-GOSISDBHSA-N 1 1 292.382 3.166 20 30 CGEDMO O=C1C=C2C[N@@H+](C3CCCCCCC3)CCC2S1 ZINC001258237462 807382548 /nfs/dbraw/zinc/38/25/48/807382548.db2.gz LHKOOAXBOKLXMC-AWEZNQCLSA-N 1 1 265.422 3.373 20 30 CGEDMO C=CCOC(=O)N[C@@H]1CCC[N@H+](C2CCCCCCC2)C1 ZINC001258240627 807384290 /nfs/dbraw/zinc/38/42/90/807384290.db2.gz ANBSDJZNMUYWLP-OAHLLOKOSA-N 1 1 294.439 3.476 20 30 CGEDMO N#CC[C@H]1CCC[N@H+]([C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001168441797 807415862 /nfs/dbraw/zinc/41/58/62/807415862.db2.gz QTJHGAMMYABNFU-CXAGYDPISA-N 1 1 272.367 3.309 20 30 CGEDMO COc1ccc(CC[C@H](C)[N@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC001258405676 807442070 /nfs/dbraw/zinc/44/20/70/807442070.db2.gz IWIMGDUNPWJTID-YOEHRIQHSA-N 1 1 272.392 3.252 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH2+][C@@H](CC)CCCCC)C(=O)OCC ZINC001258438109 807450143 /nfs/dbraw/zinc/45/01/43/807450143.db2.gz LXBCZUIWAYEGPI-IJEWVQPXSA-N 1 1 267.413 3.443 20 30 CGEDMO C[C@@H](Cc1cccnc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001258626499 807515431 /nfs/dbraw/zinc/51/54/31/807515431.db2.gz BKNNZZUTCHXLOI-AWEZNQCLSA-N 1 1 265.360 3.016 20 30 CGEDMO C=CC[C@@H]([NH2+][C@H](CCC)CCCCC)C(=O)OC ZINC001258664412 807532517 /nfs/dbraw/zinc/53/25/17/807532517.db2.gz JRVNPUBNFRKRTG-ZIAGYGMSSA-N 1 1 255.402 3.443 20 30 CGEDMO CCCCCCC[C@H](CC(C)C)[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC001258714135 807565388 /nfs/dbraw/zinc/56/53/88/807565388.db2.gz JASJMGGRVVNQMY-RCCFBDPRSA-N 1 1 299.499 3.437 20 30 CGEDMO C=CCC[C@H](C)[NH2+][C@@H](C(=O)OC)C1CCCCC1 ZINC001258717656 807567802 /nfs/dbraw/zinc/56/78/02/807567802.db2.gz WQDUYJPWINULAO-GXTWGEPZSA-N 1 1 253.386 3.053 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2C(=O)Nc3ccccc3[C@H]2C1 ZINC001258724705 807572435 /nfs/dbraw/zinc/57/24/35/807572435.db2.gz CVLWMHFTUPTEQO-CFVMTHIKSA-N 1 1 270.376 3.009 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCC[C@](O)(C(F)(F)F)C1 ZINC001258724647 807572569 /nfs/dbraw/zinc/57/25/69/807572569.db2.gz BLSNYIUSWVDACM-VXGBXAGGSA-N 1 1 265.319 3.120 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1Cc2nn(CC)cc2[C@@H](COCC)C1 ZINC001258728905 807575843 /nfs/dbraw/zinc/57/58/43/807575843.db2.gz RIRPGYLLJKZTNI-LSDHHAIUSA-N 1 1 291.439 3.193 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCc2c(cccc2C(=O)OC)C1 ZINC001258733582 807579034 /nfs/dbraw/zinc/57/90/34/807579034.db2.gz JCUPNDYSWKNJTK-CYBMUJFWSA-N 1 1 273.376 3.186 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCN2CCc3ccccc3[C@@H]2C1 ZINC001258733034 807579420 /nfs/dbraw/zinc/57/94/20/807579420.db2.gz UJTXBFZMHHHYBS-YJBOKZPZSA-N 1 1 270.420 3.256 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCO[C@H](COc2ccccc2)C1 ZINC001258732706 807579596 /nfs/dbraw/zinc/57/95/96/807579596.db2.gz PGJMTZNLMMPUMA-RDJZCZTQSA-N 1 1 275.392 3.121 20 30 CGEDMO C=CC[C@@](C)([NH2+][C@H](CC)Cc1ccccc1)C(=O)OC ZINC001258844230 807655462 /nfs/dbraw/zinc/65/54/62/807655462.db2.gz OXQIBSJHCYQDJH-NVXWUHKLSA-N 1 1 275.392 3.105 20 30 CGEDMO COc1ccccc1C[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001258894366 807667735 /nfs/dbraw/zinc/66/77/35/807667735.db2.gz WALTVWXVHGOEQT-NXNVCVFFSA-N 1 1 284.403 3.393 20 30 CGEDMO C=CCCCC[N@@H+](C)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001169582093 807671070 /nfs/dbraw/zinc/67/10/70/807671070.db2.gz PIIXLUMKETYWIO-KRWDZBQOSA-N 1 1 289.419 3.449 20 30 CGEDMO C=CCCCC[N@H+](C)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001169582093 807671071 /nfs/dbraw/zinc/67/10/71/807671071.db2.gz PIIXLUMKETYWIO-KRWDZBQOSA-N 1 1 289.419 3.449 20 30 CGEDMO C#C[C@@](C)(CC)Nc1ccc([C@@H]2CC[N@@H+](C)C2)cc1 ZINC001169700464 807692316 /nfs/dbraw/zinc/69/23/16/807692316.db2.gz ORRTVQUDALQPOV-WBVHZDCISA-N 1 1 256.393 3.320 20 30 CGEDMO CCn1ccnc1[C@@H](C)[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001261256627 807723278 /nfs/dbraw/zinc/72/32/78/807723278.db2.gz OGRNEOYBQXGXCE-MXWWQKGMSA-N 1 1 294.402 3.178 20 30 CGEDMO CC1(C)CC(=O)C=C(Nc2cc3[nH+]c[nH]c3cc2F)C1 ZINC001169953124 807729631 /nfs/dbraw/zinc/72/96/31/807729631.db2.gz NSNJUTQTMZFAQJ-UHFFFAOYSA-N 1 1 273.311 3.387 20 30 CGEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+]([C@H]1CC[C@H](C)C1)CCO2 ZINC001170138427 807772680 /nfs/dbraw/zinc/77/26/80/807772680.db2.gz REFUFRLTJFANFJ-XLAORIBOSA-N 1 1 293.451 3.249 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cc3c(ccnc3Cl)o2)C1 ZINC001262010590 807806480 /nfs/dbraw/zinc/80/64/80/807806480.db2.gz JZKKMLODNARFJX-NSHDSACASA-N 1 1 292.766 3.258 20 30 CGEDMO C[C@H]1C[N@H+](C2CCC(C#N)(c3ccccc3)CC2)CCO1 ZINC001170379194 807832896 /nfs/dbraw/zinc/83/28/96/807832896.db2.gz SOWVIUDNPFQLML-ZLPCBKJTSA-N 1 1 284.403 3.111 20 30 CGEDMO COC[C@H]1CC[N@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170397896 807834060 /nfs/dbraw/zinc/83/40/60/807834060.db2.gz ICCQNQVFYBQTFQ-LXPRWKDFSA-N 1 1 284.403 3.111 20 30 CGEDMO N#C[C@@H]1CCC[N@H+]([C@@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170701602 807877859 /nfs/dbraw/zinc/87/78/59/807877859.db2.gz QSWMPIAHGFBVSZ-IUODEOHRSA-N 1 1 290.357 3.448 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001171203690 808008811 /nfs/dbraw/zinc/00/88/11/808008811.db2.gz OYBJUSWRLUNIMK-RRQGHBQHSA-N 1 1 254.377 3.221 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[NH+]1CC(Oc2ccccc2)C1 ZINC001171221446 808011177 /nfs/dbraw/zinc/01/11/77/808011177.db2.gz NJQMMOWDSDLIBB-OAHLLOKOSA-N 1 1 292.382 3.252 20 30 CGEDMO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)Cc1cccc(C#N)c1 ZINC001171229313 808014356 /nfs/dbraw/zinc/01/43/56/808014356.db2.gz LUBRKCRVIUDLSS-BXEVVDMOSA-N 1 1 284.403 3.131 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H]1Cc1ccccc1Br ZINC001171308679 808023869 /nfs/dbraw/zinc/02/38/69/808023869.db2.gz SMCSRJUCPDWFIQ-AWEZNQCLSA-N 1 1 292.220 3.479 20 30 CGEDMO CC[N@H+](CCC#N)[C@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001171324553 808027289 /nfs/dbraw/zinc/02/72/89/808027289.db2.gz ZUAJDMKOHYWAKJ-LBPRGKRZSA-N 1 1 292.810 3.441 20 30 CGEDMO CC[N@@H+](CCC#N)[C@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001171324553 808027294 /nfs/dbraw/zinc/02/72/94/808027294.db2.gz ZUAJDMKOHYWAKJ-LBPRGKRZSA-N 1 1 292.810 3.441 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC[C@@H](C)CC)[C@H]1CC ZINC001264065652 808032677 /nfs/dbraw/zinc/03/26/77/808032677.db2.gz ZCWBVSBJVCNNET-HRCADAONSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)CC(C)(C)C2CC2)[C@H]1C ZINC001264140701 808039522 /nfs/dbraw/zinc/03/95/22/808039522.db2.gz PZXWJYYXTWWURD-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CC1(C)CC1 ZINC001264367107 808061248 /nfs/dbraw/zinc/06/12/48/808061248.db2.gz RPBRDBHGAHUWMU-CABCVRRESA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@](C)(CC)CCC ZINC001264374593 808062353 /nfs/dbraw/zinc/06/23/53/808062353.db2.gz KDSIVUOBIMKIDV-WBVHZDCISA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)/C(C)=C\C)C1 ZINC001264591055 808079406 /nfs/dbraw/zinc/07/94/06/808079406.db2.gz KXWJIQYPESRSBT-LHQSCQDDSA-N 1 1 298.430 3.113 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001171522924 808086819 /nfs/dbraw/zinc/08/68/19/808086819.db2.gz MSRVMDZTFCERJK-KBPBESRZSA-N 1 1 267.413 3.252 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@H]1C[N@H+](C)CCC(C)C ZINC001264739036 808089020 /nfs/dbraw/zinc/08/90/20/808089020.db2.gz OGGMDVXILCMTJK-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCNC(=O)C[C@H]1CC[C@@H](C)C1 ZINC001265022751 808103041 /nfs/dbraw/zinc/10/30/41/808103041.db2.gz KCBDUSDKLTWELA-CVEARBPZSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)c1[nH]c(C)cc1C ZINC001265002531 808103525 /nfs/dbraw/zinc/10/35/25/808103525.db2.gz JVJLBEBZWYNZNN-OAHLLOKOSA-N 1 1 291.439 3.038 20 30 CGEDMO C=CCCC[N@@H+](C)CCCNC(=O)C1(F)CCCCC1 ZINC001265055320 808106817 /nfs/dbraw/zinc/10/68/17/808106817.db2.gz FMNHJAXCWCCWTO-UHFFFAOYSA-N 1 1 284.419 3.063 20 30 CGEDMO C=C(CC)C[N@H+](CC(=O)OC(C)(C)C)C1CCC1 ZINC001171631448 808109856 /nfs/dbraw/zinc/10/98/56/808109856.db2.gz MJYYWDDGVWZKRJ-UHFFFAOYSA-N 1 1 253.386 3.149 20 30 CGEDMO C=C(CC)C[N@@H+](CC(=O)OC(C)(C)C)C1CCC1 ZINC001171631448 808109862 /nfs/dbraw/zinc/10/98/62/808109862.db2.gz MJYYWDDGVWZKRJ-UHFFFAOYSA-N 1 1 253.386 3.149 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)/C=C(\C)CC)CC1 ZINC001265192383 808118311 /nfs/dbraw/zinc/11/83/11/808118311.db2.gz YYXQUAFJKXBTNI-ZRDIBKRKSA-N 1 1 284.831 3.018 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)CCCC)C1 ZINC001265212941 808121277 /nfs/dbraw/zinc/12/12/77/808121277.db2.gz IWHKJNDJHWMGBB-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1CCC[N@H+](CCCCC)C1 ZINC001265224751 808122783 /nfs/dbraw/zinc/12/27/83/808122783.db2.gz JNKSHZRLDGAIET-RDJZCZTQSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C(C)=C2CCC2)C1 ZINC001265281258 808125218 /nfs/dbraw/zinc/12/52/18/808125218.db2.gz JRVVZGIYZPUVBX-CZUORRHYSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@](C)(CC)CCCCC)C1 ZINC001265319262 808130673 /nfs/dbraw/zinc/13/06/73/808130673.db2.gz KLKQJGBPMKPHGR-WBVHZDCISA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)CCC ZINC001265403574 808139892 /nfs/dbraw/zinc/13/98/92/808139892.db2.gz LXZOONRQPQHRGB-HRCADAONSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC(C)C ZINC001265401246 808139971 /nfs/dbraw/zinc/13/99/71/808139971.db2.gz OKHJWUFZGLQGPT-YESZJQIVSA-N 1 1 292.467 3.453 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](CC)C(C)C ZINC001265414946 808140760 /nfs/dbraw/zinc/14/07/60/808140760.db2.gz SQFOZDYAJYORFH-YESZJQIVSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C=C)CC ZINC001265411499 808140962 /nfs/dbraw/zinc/14/09/62/808140962.db2.gz MMHDNIRPOCLFBE-YESZJQIVSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CCC)C(C)C ZINC001265413667 808141135 /nfs/dbraw/zinc/14/11/35/808141135.db2.gz WCIJIXHMAQRDNF-IXDOHACOSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CCC)C(C)C ZINC001265413667 808141138 /nfs/dbraw/zinc/14/11/38/808141138.db2.gz WCIJIXHMAQRDNF-IXDOHACOSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCC[C@H]2C[N@@H+](CC)CC[C@H]21 ZINC001265524448 808151279 /nfs/dbraw/zinc/15/12/79/808151279.db2.gz XYWILGNPEYQHQR-DLBZAZTESA-N 1 1 290.451 3.088 20 30 CGEDMO C#CCCC[NH2+][C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171961526 808160068 /nfs/dbraw/zinc/16/00/68/808160068.db2.gz ADDUQYULAPYKLG-GOSISDBHSA-N 1 1 284.447 3.433 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@H]1CCCC[N@H+]1CC1CCC1 ZINC001265645073 808164321 /nfs/dbraw/zinc/16/43/21/808164321.db2.gz IUSPHDLJEBKISU-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCCCCCC[N@@H+](C)[C@H]1CCN(C2CC2)C(=O)C1 ZINC001172021053 808166173 /nfs/dbraw/zinc/16/61/73/808166173.db2.gz GPDLPKPXUYLBOY-INIZCTEOSA-N 1 1 280.456 3.432 20 30 CGEDMO N#CC1(N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172061157 808168669 /nfs/dbraw/zinc/16/86/69/808168669.db2.gz FVZSZRJEASSWQP-BCDXTJNWSA-N 1 1 295.430 3.218 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)CC)C1 ZINC001265704874 808172686 /nfs/dbraw/zinc/17/26/86/808172686.db2.gz BFIQUTQRNDBXHT-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCCC[N@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172128088 808186689 /nfs/dbraw/zinc/18/66/89/808186689.db2.gz OKMFVEOPZSSJPD-ZSHCYNCHSA-N 1 1 250.430 3.290 20 30 CGEDMO CC(C)C#CC(=O)NCCC[N@@H+](C)CCC1CCCCC1 ZINC001265843293 808187671 /nfs/dbraw/zinc/18/76/71/808187671.db2.gz YKDXKWFITYQHOB-UHFFFAOYSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)CC=C(C)C)C1 ZINC001266107848 808213710 /nfs/dbraw/zinc/21/37/10/808213710.db2.gz KVNDFAGPPKKVLW-OAHLLOKOSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)CC2CC2)C1 ZINC001266197907 808225356 /nfs/dbraw/zinc/22/53/56/808225356.db2.gz RKCPZVUUOOUFCO-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+](C)Cc1cscn1 ZINC001172320283 808229148 /nfs/dbraw/zinc/22/91/48/808229148.db2.gz UUCNRIOGNQTSMG-GFCCVEGCSA-N 1 1 271.389 3.078 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1cscn1 ZINC001172320283 808229151 /nfs/dbraw/zinc/22/91/51/808229151.db2.gz UUCNRIOGNQTSMG-GFCCVEGCSA-N 1 1 271.389 3.078 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCc2ncsc2C1 ZINC001172320109 808229243 /nfs/dbraw/zinc/22/92/43/808229243.db2.gz TWWCRONLYDEVPB-GFCCVEGCSA-N 1 1 283.400 3.004 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H](C#N)CC1 ZINC001172319563 808229734 /nfs/dbraw/zinc/22/97/34/808229734.db2.gz OSOVOJDFFQWPLV-ZBFHGGJFSA-N 1 1 267.376 3.115 20 30 CGEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H](C)CCCCCC)C1 ZINC001266243334 808231189 /nfs/dbraw/zinc/23/11/89/808231189.db2.gz RVCORJDBUYJJTN-SJORKVTESA-N 1 1 292.467 3.197 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)CCCCCC)C1 ZINC001266243334 808231190 /nfs/dbraw/zinc/23/11/90/808231190.db2.gz RVCORJDBUYJJTN-SJORKVTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](CCC)C(C)C)C1 ZINC001266239267 808231488 /nfs/dbraw/zinc/23/14/88/808231488.db2.gz AMHDBUSFASWAPK-HZPDHXFCSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H](CC)CC(C)C ZINC001266240885 808232122 /nfs/dbraw/zinc/23/21/22/808232122.db2.gz FNWDFQSXXVZUGR-DLBZAZTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC[N@H+](C)CCC(C)(C)C ZINC001266306360 808239624 /nfs/dbraw/zinc/23/96/24/808239624.db2.gz OBGFFHYMEKAHKH-UHFFFAOYSA-N 1 1 268.445 3.073 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC001266307551 808239823 /nfs/dbraw/zinc/23/98/23/808239823.db2.gz GHCSHDXSPLDGOS-GOSISDBHSA-N 1 1 298.430 3.221 20 30 CGEDMO CC[C@H](C)OCC[C@@H](C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC001172342691 808241878 /nfs/dbraw/zinc/24/18/78/808241878.db2.gz NOQNJQCLMXJJSE-ILXRZTDVSA-N 1 1 252.402 3.206 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)CC2(C)CCCC2)C1 ZINC001266317563 808242150 /nfs/dbraw/zinc/24/21/50/808242150.db2.gz RSUGUPTUJZUALR-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCNC(=O)c1cc2occc2s1 ZINC001266326401 808243047 /nfs/dbraw/zinc/24/30/47/808243047.db2.gz BQCCRWCXHWKBCE-UHFFFAOYSA-N 1 1 292.404 3.122 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C(CC)CC)C1 ZINC001266327199 808243054 /nfs/dbraw/zinc/24/30/54/808243054.db2.gz APTOLWVCNIGGTJ-ZBFHGGJFSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+](C)CCNC(=O)c1ccc(-c2ccccc2)o1 ZINC001266328850 808243351 /nfs/dbraw/zinc/24/33/51/808243351.db2.gz SRVBGFWREOPPHH-UHFFFAOYSA-N 1 1 298.386 3.184 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001266339021 808244465 /nfs/dbraw/zinc/24/44/65/808244465.db2.gz HVTZKIFTDNLWML-WMZOPIPTSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(CF)cc1 ZINC001266365211 808250303 /nfs/dbraw/zinc/25/03/03/808250303.db2.gz RQZKGELKHZYMOT-CQSZACIVSA-N 1 1 292.398 3.172 20 30 CGEDMO CCCCCCC[C@H](CC)[N@@H+]1CCc2nncn2CC1 ZINC001172358581 808253636 /nfs/dbraw/zinc/25/36/36/808253636.db2.gz QJHVANDBRMAPCH-HNNXBMFYSA-N 1 1 278.444 3.275 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC001172359586 808254042 /nfs/dbraw/zinc/25/40/42/808254042.db2.gz YODXHPOJDRRUED-ZACQAIPSSA-N 1 1 282.472 3.140 20 30 CGEDMO C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](CC)CCCC)C1 ZINC001266448019 808266703 /nfs/dbraw/zinc/26/67/03/808266703.db2.gz FLEDIJRJSVYMDW-IRXDYDNUSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@H]1CCC[N@H+]1CCC(C)C ZINC001266480836 808273585 /nfs/dbraw/zinc/27/35/85/808273585.db2.gz YZWNJAMZVYSFAQ-NVXWUHKLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C)[C@@H](C)C2)C1 ZINC001172381405 808274629 /nfs/dbraw/zinc/27/46/29/808274629.db2.gz DIRWHJKUZJXNKB-CAOSSQGBSA-N 1 1 294.439 3.188 20 30 CGEDMO C=C(Cl)C[N@H+](CCC)CCNC(=O)C1CCCCC1 ZINC001266554143 808285075 /nfs/dbraw/zinc/28/50/75/808285075.db2.gz QFTUMNDPDPXUHB-UHFFFAOYSA-N 1 1 286.847 3.147 20 30 CGEDMO C=C(Cl)C[N@@H+](CCC)CCNC(=O)C1CCCCC1 ZINC001266554143 808285078 /nfs/dbraw/zinc/28/50/78/808285078.db2.gz QFTUMNDPDPXUHB-UHFFFAOYSA-N 1 1 286.847 3.147 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCC[N@@H+](CC1CCCC1)C1CC1 ZINC001266609415 808295267 /nfs/dbraw/zinc/29/52/67/808295267.db2.gz MYVPEXAWFOXWFP-GOSISDBHSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+](CCNC(=O)C1(CC)CCCCC1)C1CC1 ZINC001266621767 808298144 /nfs/dbraw/zinc/29/81/44/808298144.db2.gz KAWHUFWOZKRJPN-UHFFFAOYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]2C[N@@H+](CC(=C)C)CC[C@H]21 ZINC001266660339 808303112 /nfs/dbraw/zinc/30/31/12/808303112.db2.gz WMUCLFHXPZVTOM-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1CCC[N@@H+](C/C=C/Cl)C1 ZINC001266752042 808312865 /nfs/dbraw/zinc/31/28/65/808312865.db2.gz NGMMQTNYHVUYGO-OWNNVSBGSA-N 1 1 298.858 3.169 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)CCC2(C)CC2)C1 ZINC001266764689 808313341 /nfs/dbraw/zinc/31/33/41/808313341.db2.gz UUVZZXMCPICKEE-CQSZACIVSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)CCC2(C)CC2)C1 ZINC001266764689 808313349 /nfs/dbraw/zinc/31/33/49/808313349.db2.gz UUVZZXMCPICKEE-CQSZACIVSA-N 1 1 298.858 3.147 20 30 CGEDMO CC(C)OCC[C@@H](C)[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001172441946 808316120 /nfs/dbraw/zinc/31/61/20/808316120.db2.gz FKMAODMRORRRTI-CQSZACIVSA-N 1 1 272.392 3.120 20 30 CGEDMO CC(C)OCC[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001172455564 808326357 /nfs/dbraw/zinc/32/63/57/808326357.db2.gz VQGDXHKCPCWHRB-AWEZNQCLSA-N 1 1 260.381 3.194 20 30 CGEDMO C=CCOC(=O)[C@@H]([NH2+][C@@H](C)CCOCC(C)C)[C@@H](C)CC ZINC001172462494 808331470 /nfs/dbraw/zinc/33/14/70/808331470.db2.gz PXDFTJBNOYBNIF-JYJNAYRXSA-N 1 1 299.455 3.171 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H](C)[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001266896093 808332939 /nfs/dbraw/zinc/33/29/39/808332939.db2.gz WXAFEYDFPGLVOB-CVEARBPZSA-N 1 1 292.467 3.215 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC001172491928 808352229 /nfs/dbraw/zinc/35/22/29/808352229.db2.gz IIJRTPZJOWBKKP-DOTOQJQBSA-N 1 1 271.408 3.057 20 30 CGEDMO C[C@@H](CCCC#N)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001172497277 808353296 /nfs/dbraw/zinc/35/32/96/808353296.db2.gz AORONQQANMESIP-AWEZNQCLSA-N 1 1 259.397 3.267 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCc2ncc(Cl)cc2C1 ZINC001172498496 808356139 /nfs/dbraw/zinc/35/61/39/808356139.db2.gz NPOSNZLJGNXGJM-LLVKDONJSA-N 1 1 263.772 3.175 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)CC(C)(C)C2CC2)C1 ZINC001267104650 808357532 /nfs/dbraw/zinc/35/75/32/808357532.db2.gz DMQZEXAKLBRQFU-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CCCCCC(=O)N1CCC[C@H]([N@H+](C)CCC(C)C)C1 ZINC001267103326 808358474 /nfs/dbraw/zinc/35/84/74/808358474.db2.gz WUXBCNBCVCGWQH-KRWDZBQOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1CCCNC(=O)CC(C)C ZINC001267158855 808369178 /nfs/dbraw/zinc/36/91/78/808369178.db2.gz UBMZKEPXEGMXED-INIZCTEOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC(C)(C)C(=O)NCCC[C@H]1CCC[N@@H+]1C[C@@H](F)CC ZINC001267172117 808372730 /nfs/dbraw/zinc/37/27/30/808372730.db2.gz WNMGPSKMMKNTSP-GJZGRUSLSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@](C)(C=C)CC ZINC001267175639 808372935 /nfs/dbraw/zinc/37/29/35/808372935.db2.gz XJFQEYCDOSAMPV-NVXWUHKLSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)CC1CCCCC1 ZINC001267261996 808400007 /nfs/dbraw/zinc/40/00/07/808400007.db2.gz SZPBASLTOASKAL-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCC1 ZINC001267272372 808403107 /nfs/dbraw/zinc/40/31/07/808403107.db2.gz MNZKZXGWVQQYRW-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)CC2=CCCCC2)C1 ZINC001267287859 808405385 /nfs/dbraw/zinc/40/53/85/808405385.db2.gz LFFFPYZDZHOPRP-QGZVFWFLSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001267298408 808406617 /nfs/dbraw/zinc/40/66/17/808406617.db2.gz MRIQOPYSSUSHEQ-INIZCTEOSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)C2(C)CCCCCC2)C1 ZINC001267296326 808406631 /nfs/dbraw/zinc/40/66/31/808406631.db2.gz KZJGWIUKJHWMDN-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)[C@H]1CCCC1(C)C ZINC001267316166 808412112 /nfs/dbraw/zinc/41/21/12/808412112.db2.gz HRPPWSQLGJXVIR-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO CC#CC[N@@H+](CCC)CCNC(=O)C[C@H]1CCCC[C@@H]1C ZINC001267320637 808413806 /nfs/dbraw/zinc/41/38/06/808413806.db2.gz QLAOULILYPMKBL-DLBZAZTESA-N 1 1 292.467 3.054 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172679126 808413733 /nfs/dbraw/zinc/41/37/33/808413733.db2.gz ACGWERZUETVEMZ-KRWDZBQOSA-N 1 1 286.419 3.076 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)C[C@@H]1CCCC[C@@H]1C)C1CC1 ZINC001267337677 808417647 /nfs/dbraw/zinc/41/76/47/808417647.db2.gz DVDZYAQXPUGQNO-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172722029 808419705 /nfs/dbraw/zinc/41/97/05/808419705.db2.gz NAEXRQVPVNTOEN-WBMJQRKESA-N 1 1 259.780 3.152 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H](C)CCCC)C1 ZINC001267459533 808429196 /nfs/dbraw/zinc/42/91/96/808429196.db2.gz KTBQILPWPXZGMZ-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)C1CC2(CCC2)C1)C(C)C ZINC001267506171 808434707 /nfs/dbraw/zinc/43/47/07/808434707.db2.gz YJHZHNGEYAOKDN-UHFFFAOYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C1CC(C)(C(=O)NCC[C@@H]2CC[N@H+](CC=C(C)C)C2)C1 ZINC001267569915 808449509 /nfs/dbraw/zinc/44/95/09/808449509.db2.gz FLIKCKFNEBSCLI-MRXNPFEDSA-N 1 1 290.451 3.137 20 30 CGEDMO Cc1ccc2c(c1)C[C@H]([N@H+]1CCC3SC(=O)C=C3C1)CC2 ZINC001172829153 808450030 /nfs/dbraw/zinc/45/00/30/808450030.db2.gz ATTNQKCFWVVIHT-SJORKVTESA-N 1 1 299.439 3.126 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)C2(CCC)CC2)C1 ZINC001267589100 808453978 /nfs/dbraw/zinc/45/39/78/808453978.db2.gz LEXVDIGCNWQJQV-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC[C@H](C[N@H+](C)C[C@H](C)CC)C2)C1 ZINC001267587762 808454048 /nfs/dbraw/zinc/45/40/48/808454048.db2.gz CMWVECYAQTVFOZ-GDBMZVCRSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@H+](C)CC1CCN(C(=O)[C@H](C)C2CCC2)CC1 ZINC001267601956 808457329 /nfs/dbraw/zinc/45/73/29/808457329.db2.gz WXRYFMOZUUTARG-OAHLLOKOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C2(CCC)CCC2)C1 ZINC001267629574 808460814 /nfs/dbraw/zinc/46/08/14/808460814.db2.gz ZTZOWQOEXQCPHW-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)CCCCCC)C1 ZINC001267632983 808462664 /nfs/dbraw/zinc/46/26/64/808462664.db2.gz YCIGUXDMNRLXQI-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC(=O)N(C)[C@H]1CC[N@@H+](C/C=C\c2ccccc2)C1 ZINC001267757229 808484323 /nfs/dbraw/zinc/48/43/23/808484323.db2.gz AKYGDYOMUIKVHF-YFWYWMRJSA-N 1 1 298.430 3.199 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC23CC3)C1 ZINC001267774573 808488387 /nfs/dbraw/zinc/48/83/87/808488387.db2.gz XPBGHPXDRVERQM-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)CC(C)(C)CC)C1 ZINC001267786978 808491989 /nfs/dbraw/zinc/49/19/89/808491989.db2.gz SSPFDWQHKBLRSN-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)C/C=C(/C)C=C)C1 ZINC001267791773 808493608 /nfs/dbraw/zinc/49/36/08/808493608.db2.gz QPSIHXKVEWRUSI-TYWAAFNRSA-N 1 1 276.424 3.008 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)CCCC2CC2)C1 ZINC001267789097 808493701 /nfs/dbraw/zinc/49/37/01/808493701.db2.gz FNHFVUGDSRBRLT-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@H+](C[C@H](C)CC)C1 ZINC001267970975 808523269 /nfs/dbraw/zinc/52/32/69/808523269.db2.gz WCXURYYKGGYZRP-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO CCc1ccc(C[C@@H](C)[N@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC001173246065 808554013 /nfs/dbraw/zinc/55/40/13/808554013.db2.gz KEBOAXNMOKMXAN-PBHICJAKSA-N 1 1 256.393 3.416 20 30 CGEDMO C=CCCC[N@H+](C)CCC1CCN(C(=O)/C(C)=C/C)CC1 ZINC001268201021 808556049 /nfs/dbraw/zinc/55/60/49/808556049.db2.gz UFUXVMFORIKKED-OMCISZLKSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CC[C@H]([NH2+][C@H](CCCC)CC(C)C)C(=O)OC ZINC001173251320 808557590 /nfs/dbraw/zinc/55/75/90/808557590.db2.gz AROIPZSMXLJIMA-KGLIPLIRSA-N 1 1 255.402 3.299 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)[C@H](C)CCC(C)(C)C ZINC001268255200 808570268 /nfs/dbraw/zinc/57/02/68/808570268.db2.gz SFGFNMAKHHLDHM-OAHLLOKOSA-N 1 1 282.472 3.415 20 30 CGEDMO CC[C@@H]1CC[C@H]([NH+]2CC(Oc3ccccc3C#N)C2)C1 ZINC001173281573 808582498 /nfs/dbraw/zinc/58/24/98/808582498.db2.gz ACBCTQIHWYSFMO-HIFRSBDPSA-N 1 1 270.376 3.200 20 30 CGEDMO C=CCOC1CCC([N@H+]2CCCC(F)(F)C2)CC1 ZINC001173319586 808609936 /nfs/dbraw/zinc/60/99/36/808609936.db2.gz NFMXWLICYYXMFU-UHFFFAOYSA-N 1 1 259.340 3.231 20 30 CGEDMO C=CCOC1CCC([N@@H+]2CCCC(F)(F)C2)CC1 ZINC001173319586 808609933 /nfs/dbraw/zinc/60/99/33/808609933.db2.gz NFMXWLICYYXMFU-UHFFFAOYSA-N 1 1 259.340 3.231 20 30 CGEDMO C=CCOC1CCC([NH+]2CCN(C3CCCC3)CC2)CC1 ZINC001173320079 808610494 /nfs/dbraw/zinc/61/04/94/808610494.db2.gz HEPSUVSSHXEVTQ-UHFFFAOYSA-N 1 1 292.467 3.060 20 30 CGEDMO C=CCOC1CCC([N@@H+]2CCn3cccc3[C@H]2C)CC1 ZINC001173323729 808611033 /nfs/dbraw/zinc/61/10/33/808611033.db2.gz FURPGUFENCHSLZ-QQFBHYJXSA-N 1 1 274.408 3.379 20 30 CGEDMO C=CCOC1CCC([N@H+]2CC[C@@](C)(CF)C2)CC1 ZINC001173321781 808611735 /nfs/dbraw/zinc/61/17/35/808611735.db2.gz OYPOWLCVJPXILT-NRXISQOPSA-N 1 1 255.377 3.182 20 30 CGEDMO N#CCC1CCC([N@H+]2CCc3c(O)cccc3C2)CC1 ZINC001173331697 808615987 /nfs/dbraw/zinc/61/59/87/808615987.db2.gz SMENBWMBKDVFTP-UHFFFAOYSA-N 1 1 270.376 3.223 20 30 CGEDMO Cc1nnc([C@H]2CCC[N@H+](C3CCC(CC#N)CC3)C2)o1 ZINC001173336590 808616907 /nfs/dbraw/zinc/61/69/07/808616907.db2.gz FOTNYRSEADKZLR-SLTAFYQDSA-N 1 1 288.395 3.030 20 30 CGEDMO N#CCC1CCC([N@H+]2CC[C@@H](c3ccncc3)C2)CC1 ZINC001173335413 808617434 /nfs/dbraw/zinc/61/74/34/808617434.db2.gz LMRNQVYCKWIEEY-ARWYELJZSA-N 1 1 269.392 3.343 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)c1cc(Cl)ccc1F ZINC001268738422 808619583 /nfs/dbraw/zinc/61/95/83/808619583.db2.gz QLEUZTNWLBJSPJ-LLVKDONJSA-N 1 1 298.789 3.105 20 30 CGEDMO COC(=O)c1cccc2c1C[N@H+](C1CCC(CC#N)CC1)C2 ZINC001173339933 808619716 /nfs/dbraw/zinc/61/97/16/808619716.db2.gz VRSACFLXVXHYON-UHFFFAOYSA-N 1 1 298.386 3.261 20 30 CGEDMO N#CCC1CCC([NH+]2CC(Oc3ccccc3C#N)C2)CC1 ZINC001173339422 808620232 /nfs/dbraw/zinc/62/02/32/808620232.db2.gz HHCRSLZQLORIQR-UHFFFAOYSA-N 1 1 295.386 3.094 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(F)cc1C ZINC001268754179 808623132 /nfs/dbraw/zinc/62/31/32/808623132.db2.gz ZZFXMCCKUGKDPQ-AWEZNQCLSA-N 1 1 292.398 3.150 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)C1CC(C(C)(C)C)C1 ZINC001268760061 808625239 /nfs/dbraw/zinc/62/52/39/808625239.db2.gz QVEDEIAUUFKESL-WLYUNCDWSA-N 1 1 280.456 3.071 20 30 CGEDMO CCCCCCCCCCC(=O)N1CC2(CC[N@@H+]2C)C1 ZINC001268847835 808632900 /nfs/dbraw/zinc/63/29/00/808632900.db2.gz SEFJCILXJQFRFE-UHFFFAOYSA-N 1 1 280.456 3.434 20 30 CGEDMO CCCCCCCCCCC(=O)N1CC2(CC[N@H+]2C)C1 ZINC001268847835 808632902 /nfs/dbraw/zinc/63/29/02/808632902.db2.gz SEFJCILXJQFRFE-UHFFFAOYSA-N 1 1 280.456 3.434 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC/C=C/CC ZINC001268960718 808637559 /nfs/dbraw/zinc/63/75/59/808637559.db2.gz ZWZDZNGUYKULQK-HABDOHHLSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCCCC ZINC001268959561 808638068 /nfs/dbraw/zinc/63/80/68/808638068.db2.gz DCCNSIWDGVFIIM-GJZGRUSLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCCC ZINC001268969972 808639337 /nfs/dbraw/zinc/63/93/37/808639337.db2.gz RJNOMJHFHNQLCH-GJZGRUSLSA-N 1 1 278.440 3.064 20 30 CGEDMO C[N@@H+](CCc1ccccn1)C1CCC(C)(C#N)CC1 ZINC001173592455 808648314 /nfs/dbraw/zinc/64/83/14/808648314.db2.gz PHMKPMIPZHIQFM-UHFFFAOYSA-N 1 1 257.381 3.028 20 30 CGEDMO CN1CC[N@@H+](C2CCC(C)(C#N)CC2)[C@@H](c2ccccc2)C1 ZINC001173592525 808648341 /nfs/dbraw/zinc/64/83/41/808648341.db2.gz RZEZVEBNKMMXIT-JLAWEPINSA-N 1 1 297.446 3.448 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1CC[N@H+]([C@H](CC)c2ccccc2)C1 ZINC001269122319 808649033 /nfs/dbraw/zinc/64/90/33/808649033.db2.gz UWSXKKKNXRUKOH-QZTJIDSGSA-N 1 1 298.430 3.132 20 30 CGEDMO C=CCCC(=O)N(C)[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001269220708 808658659 /nfs/dbraw/zinc/65/86/59/808658659.db2.gz BDIFDNQLCGHUAG-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)CCCCC(C)(C)C)C1 ZINC001269246218 808659955 /nfs/dbraw/zinc/65/99/55/808659955.db2.gz ULEWKFADTIBDRO-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H](CC)CCCC)C1 ZINC001269257155 808661844 /nfs/dbraw/zinc/66/18/44/808661844.db2.gz PCVONJLUAOVTLS-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO CC#CCCCC(=O)N(C)[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001269268496 808661994 /nfs/dbraw/zinc/66/19/94/808661994.db2.gz MKQOSBJYLJAKRQ-INIZCTEOSA-N 1 1 292.467 3.149 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001269287327 808666530 /nfs/dbraw/zinc/66/65/30/808666530.db2.gz HPWDJTCPIYGAQY-HOTGVXAUSA-N 1 1 292.467 3.005 20 30 CGEDMO C#CCCCC(=O)N(CC)[C@H]1CC[N@H+]([C@@H](C)CCC=C)C1 ZINC001269325284 808669841 /nfs/dbraw/zinc/66/98/41/808669841.db2.gz YPNMATGOHUZHQU-IRXDYDNUSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)CCC2CCC2)C1 ZINC001269318378 808670264 /nfs/dbraw/zinc/67/02/64/808670264.db2.gz LNDKRRMKBMMMAI-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H](C)C(C)C)C1 ZINC001269347783 808671029 /nfs/dbraw/zinc/67/10/29/808671029.db2.gz BVIDRCGFYJASAF-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO C[N@H+]1CCc2c(C#N)c(Nc3ccsc3)sc2C1 ZINC001173819949 808688341 /nfs/dbraw/zinc/68/83/41/808688341.db2.gz LSFVPFYDVXEOGG-UHFFFAOYSA-N 1 1 275.402 3.413 20 30 CGEDMO CCCCCCC[N@H+]1CCC2(C1)CCN(C(C)=O)CC2 ZINC001270323435 808724979 /nfs/dbraw/zinc/72/49/79/808724979.db2.gz UOZWSNDCRLDVHQ-UHFFFAOYSA-N 1 1 280.456 3.291 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(C1)CCN(C(=O)C(C)(C)F)CC2 ZINC001270323157 808725104 /nfs/dbraw/zinc/72/51/04/808725104.db2.gz PBJKIJPXUNBMFT-UHFFFAOYSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(C1)CCN(C(=O)CCCF)CC2 ZINC001270335046 808726941 /nfs/dbraw/zinc/72/69/41/808726941.db2.gz AJXUCQIHEBPJDA-UHFFFAOYSA-N 1 1 296.430 3.017 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](C)CC ZINC001270483407 808732174 /nfs/dbraw/zinc/73/21/74/808732174.db2.gz BGEZYPCWJZLKLY-BBWFWOEESA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)C[C@H](C)C2CCCCC2)C1 ZINC001270642785 808741152 /nfs/dbraw/zinc/74/11/52/808741152.db2.gz OGMNMVPZVBURLT-MAUKXSAKSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+](C)CCC1CCN(C(=O)C=C(CC)CC)CC1 ZINC001271766957 808783260 /nfs/dbraw/zinc/78/32/60/808783260.db2.gz XGWHMCUJMCNSBH-UHFFFAOYSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)CCN(C)C(=O)/C=C(/C)CC ZINC001272004676 808792369 /nfs/dbraw/zinc/79/23/69/808792369.db2.gz KIWDRIMBJQIKAM-PLFFATQSSA-N 1 1 266.429 3.088 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2CN(C(=O)CCCC(C)C)CC[C@H]21 ZINC001272222904 808802311 /nfs/dbraw/zinc/80/23/11/808802311.db2.gz AVHHBYKMBCZTIL-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](C)CCC ZINC001272431348 808808138 /nfs/dbraw/zinc/80/81/38/808808138.db2.gz UIPJWMAAVUBDDD-BZUAXINKSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2CCC(C)C ZINC001272453281 808810605 /nfs/dbraw/zinc/81/06/05/808810605.db2.gz NWGCDDSUHUVDAL-KRWDZBQOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CCCCCC ZINC001272475681 808811751 /nfs/dbraw/zinc/81/17/51/808811751.db2.gz GPJYCVZGYWXZJG-QGZVFWFLSA-N 1 1 278.440 3.210 20 30 CGEDMO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CCC(C)(C)C ZINC001272495721 808813859 /nfs/dbraw/zinc/81/38/59/808813859.db2.gz OZYMIBODDDOQFL-KRWDZBQOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCCC[N@H+]1CC[C@@]2(CCN(C3CCCC3)C2=O)C1 ZINC001273494875 808848123 /nfs/dbraw/zinc/84/81/23/808848123.db2.gz IEJJQFQAGIIJNZ-GOSISDBHSA-N 1 1 290.451 3.210 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@]12CCN(CC(C)C)C2=O ZINC001273501461 808850448 /nfs/dbraw/zinc/85/04/48/808850448.db2.gz RZSYSZDCFCWILW-QGZVFWFLSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCN1c2ccccc2[C@@]2(CC[N@H+](CC(C)(C)C)C2)C1=O ZINC001273532572 808852946 /nfs/dbraw/zinc/85/29/46/808852946.db2.gz MHNVAUHQHBTJIA-IBGZPJMESA-N 1 1 298.430 3.209 20 30 CGEDMO C=CCC[N@@H+]1Cc2ccc(CNC(=O)/C(C)=C\C)cc2C1 ZINC001274027930 808866261 /nfs/dbraw/zinc/86/62/61/808866261.db2.gz PCRXGWFPNXMKCM-RZNTYIFUSA-N 1 1 284.403 3.161 20 30 CGEDMO CC#CCCCC(=O)N[C@H]1CC[N@@H+](CC(C)C)CC1(C)C ZINC001274444029 808875744 /nfs/dbraw/zinc/87/57/44/808875744.db2.gz AGLUKZUAYIPIID-INIZCTEOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)C1CCCCCCC1 ZINC001275122172 808912110 /nfs/dbraw/zinc/91/21/10/808912110.db2.gz WVZGOHXWXGHQSJ-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C#CCCCCC(=O)N[C@H](C)C[N@@H+](C)CCC(C)(C)C ZINC001275535873 808945475 /nfs/dbraw/zinc/94/54/75/808945475.db2.gz ZGTHVLNPLMRHJU-OAHLLOKOSA-N 1 1 280.456 3.053 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)c1cccc(Cl)c1F ZINC001275637543 808954848 /nfs/dbraw/zinc/95/48/48/808954848.db2.gz KPWOJNWWUIGLNN-NSHDSACASA-N 1 1 298.789 3.105 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H](C)C1CCCC1 ZINC001275697644 808958565 /nfs/dbraw/zinc/95/85/65/808958565.db2.gz LPXPHXUUBDYLNE-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H](C)[N@@H+](C)CCCC1CCC1 ZINC001275897244 808973698 /nfs/dbraw/zinc/97/36/98/808973698.db2.gz JMXJOZUWGUDUJB-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO CC#CCCCC(=O)NC[C@@H](C)[N@@H+](C)CCC1CCCC1 ZINC001275905274 808976024 /nfs/dbraw/zinc/97/60/24/808976024.db2.gz WYHWAONVTUAMTJ-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccsc2)C1 ZINC001275928287 808976598 /nfs/dbraw/zinc/97/65/98/808976598.db2.gz IZHCAUPZTKMVFG-ZDUSSCGKSA-N 1 1 292.448 3.041 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)c1cc(F)ccc1Cl ZINC001275936729 808978354 /nfs/dbraw/zinc/97/83/54/808978354.db2.gz VCTWOHPKLPTTQU-NSHDSACASA-N 1 1 298.789 3.105 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)c1cccc(C(F)F)c1 ZINC001275977061 808980715 /nfs/dbraw/zinc/98/07/15/808980715.db2.gz MFRRTYPTHLEXCS-GFCCVEGCSA-N 1 1 296.361 3.250 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1CCCCC[N@H+]1CC1CC1 ZINC001276312382 809001593 /nfs/dbraw/zinc/00/15/93/809001593.db2.gz QDRAYLLTMILWIP-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCCCCC/C=C/CN1CC2(CC[N@H+]2C)C1 ZINC001276457764 809010325 /nfs/dbraw/zinc/01/03/25/809010325.db2.gz TYHMQNTWFNSIQJ-MDZDMXLPSA-N 1 1 250.430 3.293 20 30 CGEDMO C#CC[N@@H+]1C[C@H](NC(=O)CCCCCC(C)C)C(C)(C)C1 ZINC001276607518 809020019 /nfs/dbraw/zinc/02/00/19/809020019.db2.gz KYXVRPQCQUHJIB-INIZCTEOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC(C)C)C[C@H]2C1 ZINC001276838662 809035520 /nfs/dbraw/zinc/03/55/20/809035520.db2.gz BAIGSHAIMPIUMV-GVDBMIGSSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CCC(=C)C)C[C@@]2(C)C1 ZINC001276900667 809041870 /nfs/dbraw/zinc/04/18/70/809041870.db2.gz JVNWCOSYPKFCOL-HDICACEKSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]1CNC(=O)C1(C2CCC2)CCC1 ZINC001276891766 809042000 /nfs/dbraw/zinc/04/20/00/809042000.db2.gz MGJRBOZNZDPFJY-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO CC#CCCCC(=O)NC[C@H]1CC[N@H+]1CCCC(C)(C)C ZINC001276910248 809043264 /nfs/dbraw/zinc/04/32/64/809043264.db2.gz XTKPZDOSQSHWKK-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO CCCCCCCC[N@H+]1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)N(C)C ZINC001277230694 809064484 /nfs/dbraw/zinc/06/44/84/809064484.db2.gz AZANYCXGSWYZNJ-BJWYYQGGSA-N 1 1 294.483 3.393 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@](C)(CC)CCC ZINC001277360368 809070883 /nfs/dbraw/zinc/07/08/83/809070883.db2.gz VZFXEZTYYGOLTA-RYRKJORJSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)CC2CCC2)CC1 ZINC001277391373 809072122 /nfs/dbraw/zinc/07/21/22/809072122.db2.gz JICCSJSQCDJTKR-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)C1CCN(C(=O)/C(C)=C\CC)CC1 ZINC001277384604 809072678 /nfs/dbraw/zinc/07/26/78/809072678.db2.gz BNTVBNYJHIOXAH-CHHVJCJISA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)C(CC)CC)C2)C1 ZINC001277502464 809077348 /nfs/dbraw/zinc/07/73/48/809077348.db2.gz PSPMWLFFJHWZOE-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)CCCC)C2)C1 ZINC001277503060 809078458 /nfs/dbraw/zinc/07/84/58/809078458.db2.gz WHVRYCLTWOMCNK-QGZVFWFLSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCC[NH+]1CC(N(C)C(=O)[C@@H](C)[C@H](C)C(C)(C)C)C1 ZINC001277671581 809087988 /nfs/dbraw/zinc/08/79/88/809087988.db2.gz XSPPAJCNGNGBHF-KBPBESRZSA-N 1 1 280.456 3.023 20 30 CGEDMO CCCC[C@@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N(CCC#N)C2 ZINC001277936832 809107640 /nfs/dbraw/zinc/10/76/40/809107640.db2.gz QSOVAKTZTNPNLV-ZACQAIPSSA-N 1 1 277.456 3.123 20 30 CGEDMO C=CCCCCCCCCC[N@@H+]1C[C@H]2C[C@@]2(C(N)=O)C1 ZINC001277978411 809109351 /nfs/dbraw/zinc/10/93/51/809109351.db2.gz SIMVXUOHRJVPQZ-NVXWUHKLSA-N 1 1 278.440 3.100 20 30 CGEDMO C=CC[N@@H+](C[C@@H]1CCC[C@@]2(CCOC2)O1)C(C)(C)C ZINC001174642577 809114595 /nfs/dbraw/zinc/11/45/95/809114595.db2.gz WBBGBPOFAIHDFZ-HOCLYGCPSA-N 1 1 267.413 3.001 20 30 CGEDMO C=CC[N@@H+](C[C@@H]1CCC[C@]2(CCOC2)O1)C(C)(C)C ZINC001174642576 809114692 /nfs/dbraw/zinc/11/46/92/809114692.db2.gz WBBGBPOFAIHDFZ-GOEBONIOSA-N 1 1 267.413 3.001 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@@H](C)CC)C2 ZINC001278336023 809126325 /nfs/dbraw/zinc/12/63/25/809126325.db2.gz OBMMDFRAAGGPAI-WMZOPIPTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)c2ccsc2)C1 ZINC001278355827 809127470 /nfs/dbraw/zinc/12/74/70/809127470.db2.gz DQCPDDIRZAQSQC-XJKSGUPXSA-N 1 1 292.448 3.297 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](C)CC)C1 ZINC001278364333 809128589 /nfs/dbraw/zinc/12/85/89/809128589.db2.gz VHANYFNCDONWHK-RDJZCZTQSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)C=C2CCCCC2)C1 ZINC001278362482 809128843 /nfs/dbraw/zinc/12/88/43/809128843.db2.gz DFNWIYDPRPNRRJ-QGZVFWFLSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)CC2(C)CC2)C1 ZINC001278410906 809130813 /nfs/dbraw/zinc/13/08/13/809130813.db2.gz PQJMDYCARAFEOG-WMLDXEAASA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](CC)CC(C)C)C1 ZINC001278437197 809133451 /nfs/dbraw/zinc/13/34/51/809133451.db2.gz AANXWKOMEOSFCN-DOTOQJQBSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)CC(C)(C)C3CC3)CCC[C@H]12 ZINC001278445015 809135776 /nfs/dbraw/zinc/13/57/76/809135776.db2.gz HRKVPBDAEPHSOI-MAUKXSAKSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CC(C)=C(C)C)[C@H]1C ZINC001278515693 809138522 /nfs/dbraw/zinc/13/85/22/809138522.db2.gz KSDNYGQFPIXIGP-CVEARBPZSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)/C=C(/C)CC)[C@H]1C ZINC001278510901 809139178 /nfs/dbraw/zinc/13/91/78/809139178.db2.gz PLUSQVUKMKLKBL-OPZRYQFUSA-N 1 1 278.440 3.278 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)C(CCC)CCC)[C@H]1C ZINC001278520811 809139185 /nfs/dbraw/zinc/13/91/85/809139185.db2.gz ISWXWMDZHWEWGA-WBVHZDCISA-N 1 1 292.467 3.195 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@H+](CCCC)[C@@H]1C ZINC001278511985 809139247 /nfs/dbraw/zinc/13/92/47/809139247.db2.gz ZGDIHKNXTWJIHG-HUUCEWRRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C2(F)CCCC2)[C@@H]1C ZINC001278516344 809139389 /nfs/dbraw/zinc/13/93/89/809139389.db2.gz RBFURTTVDZDCKQ-LSDHHAIUSA-N 1 1 296.430 3.204 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@]1(C)CCC[N@H+](CC(C)C)C1 ZINC001278673369 809150361 /nfs/dbraw/zinc/15/03/61/809150361.db2.gz RSDHQKSSDXJENK-KRWDZBQOSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCCC(=O)NC[C@@]1(C)CCC[N@H+](CC(C)C)C1 ZINC001278678575 809152246 /nfs/dbraw/zinc/15/22/46/809152246.db2.gz RYAQWIPNAZQEKL-QGZVFWFLSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)[C@@H]1CCC[C@H](F)C1)C(C)C ZINC001278908855 809155556 /nfs/dbraw/zinc/15/55/56/809155556.db2.gz YWWXGFHMNBXURI-CVEARBPZSA-N 1 1 298.446 3.260 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C(=O)[C@@H]1C[C@H]1C(C)C)C(C)C ZINC001278926171 809156750 /nfs/dbraw/zinc/15/67/50/809156750.db2.gz BVGKACMJRNNTDX-DLBZAZTESA-N 1 1 294.483 3.414 20 30 CGEDMO C#CCCCCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCCC ZINC001279552189 809174317 /nfs/dbraw/zinc/17/43/17/809174317.db2.gz ADSJDEWQCGVNNJ-DLBZAZTESA-N 1 1 290.451 3.045 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)CC1CC1 ZINC001280315149 809184663 /nfs/dbraw/zinc/18/46/63/809184663.db2.gz KZXIKVOATBAWAM-UHFFFAOYSA-N 1 1 286.419 3.111 20 30 CGEDMO C=CCCC(=O)N(C)CCC[N@H+](C)[C@@H](C)c1ccccc1 ZINC001280793304 809198808 /nfs/dbraw/zinc/19/88/08/809198808.db2.gz JMFPROWWWHJORP-INIZCTEOSA-N 1 1 288.435 3.494 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@@]1(C)CCC[C@H]1C ZINC001280855977 809202250 /nfs/dbraw/zinc/20/22/50/809202250.db2.gz GCNVBHCLBFYOAZ-WBVHZDCISA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC)C2 ZINC001281069318 809206524 /nfs/dbraw/zinc/20/65/24/809206524.db2.gz AABVGHLUADETOV-DOTOQJQBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)CCC)C(C)(C)C1 ZINC001281542862 809213975 /nfs/dbraw/zinc/21/39/75/809213975.db2.gz XPSBDZIFGOCUBT-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@H+](CC(CC)CC)[C@H](C)C1 ZINC001281650016 809216140 /nfs/dbraw/zinc/21/61/40/809216140.db2.gz ATPXLSIDQNGWNA-ZBFHGGJFSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[N@H+](CC)CC1CCN(C(=O)/C(C)=C\C)CC1 ZINC001281830449 809221164 /nfs/dbraw/zinc/22/11/64/809221164.db2.gz HMRLUEBQWHHKHT-UUASQNMZSA-N 1 1 278.440 3.089 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)C1(F)CCCC1 ZINC001281940663 809225156 /nfs/dbraw/zinc/22/51/56/809225156.db2.gz BXQRLHQSMANVNK-HNNXBMFYSA-N 1 1 296.430 3.158 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C1(C)CCCC1 ZINC001282432992 809246799 /nfs/dbraw/zinc/24/67/99/809246799.db2.gz KWKZUWFTPBCJSP-GJZGRUSLSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)[C@H](CC)CC(C)C)C2)C1 ZINC001282978279 809267528 /nfs/dbraw/zinc/26/75/28/809267528.db2.gz VTWCBRHOHMWKCJ-MRXNPFEDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+](C)C1CCN(C(=O)CSC(C)C)CC1 ZINC001283292728 809274085 /nfs/dbraw/zinc/27/40/85/809274085.db2.gz PJOIDEOTZGWCLV-UHFFFAOYSA-N 1 1 298.496 3.017 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CCC[N@H+](CCCC(C)C)[C@H]1C ZINC001284122224 809296808 /nfs/dbraw/zinc/29/68/08/809296808.db2.gz RZTAQQWGBGWQGM-JKSUJKDBSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)c1ccc(F)c(C)c1)C(C)C ZINC001284544549 809307717 /nfs/dbraw/zinc/30/77/17/809307717.db2.gz ITYTYOSLFAIWBM-UHFFFAOYSA-N 1 1 292.398 3.103 20 30 CGEDMO C=CC(C)(C)C(=O)NCC1=CC[N@@H+](CCCCCF)CC1 ZINC001284947105 809321226 /nfs/dbraw/zinc/32/12/26/809321226.db2.gz QUSQGPSCXBWNCV-UHFFFAOYSA-N 1 1 296.430 3.087 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@@](COC)(C(=O)OC(C)(C)C)C1 ZINC001175249362 809324374 /nfs/dbraw/zinc/32/43/74/809324374.db2.gz GYQQQCDATBFJJL-QGZVFWFLSA-N 1 1 297.439 3.023 20 30 CGEDMO CCC#C[C@@H](C)N1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001175351347 809372234 /nfs/dbraw/zinc/37/22/34/809372234.db2.gz LDBVKYPPTWBNBP-MSOLQXFVSA-N 1 1 276.468 3.375 20 30 CGEDMO C[N@H+]1CCC=C(Nc2ccc(C#N)cc2C(F)(F)F)C1 ZINC001175576238 809457356 /nfs/dbraw/zinc/45/73/56/809457356.db2.gz HGGFRODGXXFTNX-UHFFFAOYSA-N 1 1 281.281 3.208 20 30 CGEDMO C#CC[N@H+](CCC1(O)CCC1)[C@H]1CCCc2ccccc21 ZINC001176452646 809700521 /nfs/dbraw/zinc/70/05/21/809700521.db2.gz LOCQEMZBOGHBRU-SFHVURJKSA-N 1 1 283.415 3.304 20 30 CGEDMO C#CCCCCCC[N@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC001176874455 809766772 /nfs/dbraw/zinc/76/67/72/809766772.db2.gz MQQYVKSVVJVVOR-RTBURBONSA-N 1 1 285.431 3.106 20 30 CGEDMO C=C(C)CC[N@@H+]1CCO[C@@H](c2ccc(OC)c(OC)c2)C1 ZINC001176946196 809772240 /nfs/dbraw/zinc/77/22/40/809772240.db2.gz OKMVDVNFENBBDI-QGZVFWFLSA-N 1 1 291.391 3.043 20 30 CGEDMO C=C(C)CC[N@H+]1CCO[C@@H](c2ccc(OC)c(OC)c2)C1 ZINC001176946196 809772243 /nfs/dbraw/zinc/77/22/43/809772243.db2.gz OKMVDVNFENBBDI-QGZVFWFLSA-N 1 1 291.391 3.043 20 30 CGEDMO C=CCC[C@@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)C(=O)OCC ZINC001181826984 810074773 /nfs/dbraw/zinc/07/47/73/810074773.db2.gz IRLOWJMFOKIDJE-BYNSBNAKSA-N 1 1 265.397 3.053 20 30 CGEDMO CCCCC[N@@H+](C)CCC(=O)Nc1sc(C)cc1C#N ZINC001181859875 810076403 /nfs/dbraw/zinc/07/64/03/810076403.db2.gz SXRAZVAOLDOTTR-UHFFFAOYSA-N 1 1 293.436 3.379 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2ccc3scnc3c2)C1 ZINC001183065159 810136314 /nfs/dbraw/zinc/13/63/14/810136314.db2.gz HLTOUWIJRZKFGD-LBPRGKRZSA-N 1 1 256.374 3.142 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)CCC)[C@@H]2C1 ZINC001187262425 810392579 /nfs/dbraw/zinc/39/25/79/810392579.db2.gz NSCRKINEZSWXJO-IXDOHACOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@H+](CC=C(C)C)C[C@H]21 ZINC001188064011 810448510 /nfs/dbraw/zinc/44/85/10/810448510.db2.gz WQEVXTMNMSUPEE-JKSUJKDBSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC001188665624 810502096 /nfs/dbraw/zinc/50/20/96/810502096.db2.gz PQDOOXBBLYUPHQ-WBVHZDCISA-N 1 1 286.419 3.188 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)CCC2CCCC2)C1 ZINC001188708779 810506760 /nfs/dbraw/zinc/50/67/60/810506760.db2.gz IKIPCUKIXSJTPD-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)C=C(C)C)C1 ZINC001188716461 810507475 /nfs/dbraw/zinc/50/74/75/810507475.db2.gz GNOJYHJWUXQSNG-INIZCTEOSA-N 1 1 280.456 3.456 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](F)CC)[C@@H]2C1 ZINC001188777045 810512791 /nfs/dbraw/zinc/51/27/91/810512791.db2.gz KEMGWXUDBNXNRS-HRCADAONSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)CSCCC)C1 ZINC001189143352 810544207 /nfs/dbraw/zinc/54/42/07/810544207.db2.gz ZRXZMAHZWHIXEO-GJZGRUSLSA-N 1 1 298.496 3.017 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)/C=C/C(C)(C)C)C1 ZINC001189438235 810569615 /nfs/dbraw/zinc/56/96/15/810569615.db2.gz QCZIBHOETOPRNS-JOZWUWCOSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)CCC2CCC2)C1 ZINC001189565924 810578479 /nfs/dbraw/zinc/57/84/79/810578479.db2.gz YTFWAPRHUCOXSP-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C#CCCCC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)c2ccccc2)C1 ZINC001189927310 810594717 /nfs/dbraw/zinc/59/47/17/810594717.db2.gz XIFABTHJYOXCKB-WMZOPIPTSA-N 1 1 298.430 3.084 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)CC(C)(C)C2CC2)C1 ZINC001189984686 810600563 /nfs/dbraw/zinc/60/05/63/810600563.db2.gz UXEIXYMLIAHYFG-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)CCCC[C@@H](C)CC)C1 ZINC001190371948 810623134 /nfs/dbraw/zinc/62/31/34/810623134.db2.gz XFDYBSGTFIBENI-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC23CC3)C1 ZINC001190901125 810655369 /nfs/dbraw/zinc/65/53/69/810655369.db2.gz VJYBRWWRFIWEOF-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+](C[C@@H]1CN(C2CC2)C(=O)O1)CC1CCCCC1 ZINC001190985239 810661110 /nfs/dbraw/zinc/66/11/10/810661110.db2.gz ORUPZGKRUQJRJD-MRXNPFEDSA-N 1 1 292.423 3.038 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)C(CC)CC)C1 ZINC001191050630 810667368 /nfs/dbraw/zinc/66/73/68/810667368.db2.gz JTRSFSPUCVNKMU-GOEBONIOSA-N 1 1 280.456 3.168 20 30 CGEDMO CCCCCCCCNC(=O)N1CC[N@@H+](CC)C[C@H]1C ZINC001191069352 810669984 /nfs/dbraw/zinc/66/99/84/810669984.db2.gz JTFXTCWKDSHYHK-OAHLLOKOSA-N 1 1 283.460 3.083 20 30 CGEDMO C[C@H](Cc1ccsc1)[N@@H+](C)Cc1cc(C#N)ccn1 ZINC001191410011 810711134 /nfs/dbraw/zinc/71/11/34/810711134.db2.gz ZJFBBLALOGCTJW-GFCCVEGCSA-N 1 1 271.389 3.078 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)C[C@H](C)CC)C1 ZINC001191684684 810730107 /nfs/dbraw/zinc/73/01/07/810730107.db2.gz UGVINTADVBRBGD-CABCVRRESA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)C(C)(C)C)C1 ZINC001191727663 810732857 /nfs/dbraw/zinc/73/28/57/810732857.db2.gz PFQLMQPOXGGZEL-AWEZNQCLSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@@H]([N@H+](C)C[C@@H](C)CC(C)C)C1 ZINC001191720810 810733268 /nfs/dbraw/zinc/73/32/68/810733268.db2.gz UYFAZGIWMMMIEP-JKSUJKDBSA-N 1 1 294.483 3.414 20 30 CGEDMO CCC[C@H]1[C@@H](C)CCC[N@H+]1Cc1cc(C#N)ccn1 ZINC001191789605 810740699 /nfs/dbraw/zinc/74/06/99/810740699.db2.gz LUIMTTNVPTTWFV-BBRMVZONSA-N 1 1 257.381 3.354 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC2(C)C)C1 ZINC001191791024 810742061 /nfs/dbraw/zinc/74/20/61/810742061.db2.gz RKYOHXZWQSDSHE-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)CCCF)C1 ZINC001191808771 810744700 /nfs/dbraw/zinc/74/47/00/810744700.db2.gz KBXXWGPJEBSCOH-HNNXBMFYSA-N 1 1 284.419 3.015 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)CC)C1 ZINC001192048273 810766614 /nfs/dbraw/zinc/76/66/14/810766614.db2.gz YDRKBVUHYTWSCI-GJZGRUSLSA-N 1 1 280.456 3.310 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)CCC)C1 ZINC001192113636 810769418 /nfs/dbraw/zinc/76/94/18/810769418.db2.gz GLTDYUXJZIMNOZ-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)C2(CCCC)CC2)C1 ZINC001192189806 810773985 /nfs/dbraw/zinc/77/39/85/810773985.db2.gz HTUWSNCBNNVLSA-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C1CCC(C(=O)N2CC[C@H]([N@H+](C)CCCCC)C2)CC1 ZINC001192180637 810774236 /nfs/dbraw/zinc/77/42/36/810774236.db2.gz KPKPNECWQFHVKR-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)c2occc2Cl)C1 ZINC001192196587 810774446 /nfs/dbraw/zinc/77/44/46/810774446.db2.gz JDDLQCLFSNFCRZ-LBPRGKRZSA-N 1 1 296.798 3.046 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001192390859 810793571 /nfs/dbraw/zinc/79/35/71/810793571.db2.gz QALAHYVRLRRXJS-LSDHHAIUSA-N 1 1 276.330 3.262 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001192436060 810797076 /nfs/dbraw/zinc/79/70/76/810797076.db2.gz RYUSMEINKXIYSA-IXDOHACOSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(Cl)C[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC001192548159 810805977 /nfs/dbraw/zinc/80/59/77/810805977.db2.gz ZCDCYCKVRDVWQK-UHFFFAOYSA-N 1 1 283.824 3.364 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)CC=C)C1 ZINC001192587058 810809506 /nfs/dbraw/zinc/80/95/06/810809506.db2.gz ZGGQGQLYCHGAPI-HZPDHXFCSA-N 1 1 292.467 3.476 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)CC2CCCC2)C1 ZINC001192640549 810813471 /nfs/dbraw/zinc/81/34/71/810813471.db2.gz BPBMYEHLLYTCEK-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO CC(C)[C@@H]1CCCCC[N@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001192654386 810815461 /nfs/dbraw/zinc/81/54/61/810815461.db2.gz YCIKMWDLWAGRSA-ROUUACIJSA-N 1 1 286.419 3.492 20 30 CGEDMO CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)CCCCCC(C)C)C1 ZINC001192704498 810818584 /nfs/dbraw/zinc/81/85/84/810818584.db2.gz MZWAMRUYTUQPPY-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO CC(C)c1cccc(C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)c1 ZINC001192948500 810833425 /nfs/dbraw/zinc/83/34/25/810833425.db2.gz XJUCQCSHDIUOBL-IBGZPJMESA-N 1 1 299.462 3.476 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C2(F)CCCCC2)C1 ZINC001193244025 810865909 /nfs/dbraw/zinc/86/59/09/810865909.db2.gz KSWDOFPQSZABLU-OAHLLOKOSA-N 1 1 296.430 3.158 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)CC(C)C)C1 ZINC001193365147 810878662 /nfs/dbraw/zinc/87/86/62/810878662.db2.gz AZTXYMYUFURBKU-OAHLLOKOSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)C2CCCC2)C1 ZINC001193372506 810881806 /nfs/dbraw/zinc/88/18/06/810881806.db2.gz CUYZFWDJVOWHAL-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)C[C@H](C)CC(C)C)C1 ZINC001193408649 810883816 /nfs/dbraw/zinc/88/38/16/810883816.db2.gz OLVKZDDDTXMWQQ-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO CCCCCCCC[N@@H+]1CC[S@](=O)CC1(C)C ZINC001193461950 810891171 /nfs/dbraw/zinc/89/11/71/810891171.db2.gz SJRRJNIJVILTBQ-KRWDZBQOSA-N 1 1 259.459 3.190 20 30 CGEDMO CCCCCCCC[N@H+]1CC[S@](=O)CC1(C)C ZINC001193461950 810891175 /nfs/dbraw/zinc/89/11/75/810891175.db2.gz SJRRJNIJVILTBQ-KRWDZBQOSA-N 1 1 259.459 3.190 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)Cc1ccc(F)cc1Cl ZINC001193920993 810980771 /nfs/dbraw/zinc/98/07/71/810980771.db2.gz SJYBUSVOEOAYNG-UHFFFAOYSA-N 1 1 284.806 3.419 20 30 CGEDMO CCCCCCCOC(=O)N1CCC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC001194005628 811000295 /nfs/dbraw/zinc/00/02/95/811000295.db2.gz WLQDWQRZKACECJ-HUUCEWRRSA-N 1 1 282.428 3.119 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CCCC)C(C)C)C1 ZINC001194306755 811049968 /nfs/dbraw/zinc/04/99/68/811049968.db2.gz WWCOWNCOLHPFTQ-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)C2CC(C(C)(C)C)C2)C1 ZINC001194374545 811062651 /nfs/dbraw/zinc/06/26/51/811062651.db2.gz IXSIPRJVHRESRF-GPANFISMSA-N 1 1 292.467 3.168 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC001194467610 811081087 /nfs/dbraw/zinc/08/10/87/811081087.db2.gz SMMVQHOOBORQAW-ZDUSSCGKSA-N 1 1 278.193 3.262 20 30 CGEDMO CC#CC[N@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC001194467610 811081092 /nfs/dbraw/zinc/08/10/92/811081092.db2.gz SMMVQHOOBORQAW-ZDUSSCGKSA-N 1 1 278.193 3.262 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC001194754999 811125429 /nfs/dbraw/zinc/12/54/29/811125429.db2.gz MLGQYGUEBJPZLR-GJZGRUSLSA-N 1 1 274.383 3.138 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCN(C(=O)[C@@H](C)C2CC2)CC1 ZINC001195426764 811252316 /nfs/dbraw/zinc/25/23/16/811252316.db2.gz NLQZAVBOGOGWRO-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO CCCCCCC[N@H+]1CCCN(C(=O)/C=C/C2CC2)CC1 ZINC001195418763 811252400 /nfs/dbraw/zinc/25/24/00/811252400.db2.gz JWJSBVGFCYFSQY-ZHACJKMWSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@@H](CC)SC)CC1 ZINC001195488647 811259756 /nfs/dbraw/zinc/25/97/56/811259756.db2.gz SRSVYIPJRAOPBB-LSDHHAIUSA-N 1 1 298.496 3.017 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)c2cc(C)c(C)o2)CC1 ZINC001195489047 811262192 /nfs/dbraw/zinc/26/21/92/811262192.db2.gz XJZDSCNLEGCOBM-UHFFFAOYSA-N 1 1 290.407 3.011 20 30 CGEDMO C#CCCCCC(=O)N1CCC[N@H+](CCCCCC)CC1 ZINC001195562060 811266998 /nfs/dbraw/zinc/26/69/98/811266998.db2.gz BFIAGZJLUNFBTD-UHFFFAOYSA-N 1 1 292.467 3.295 20 30 CGEDMO C#CCCCC(=O)N1CCC[N@H+](CC/C=C/CCC)CC1 ZINC001195675313 811278075 /nfs/dbraw/zinc/27/80/75/811278075.db2.gz WDCOMEMZAOHSTN-BQYQJAHWSA-N 1 1 290.451 3.071 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)/C=C(/C)CC)CC1 ZINC001195760319 811288398 /nfs/dbraw/zinc/28/83/98/811288398.db2.gz AIQAMSUIWDAHQM-FCFCDCELSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](C[C@H]2COC3(CCCCC3)O2)C1 ZINC001195953602 811305236 /nfs/dbraw/zinc/30/52/36/811305236.db2.gz BBCFRFXSVIKUKG-HOTGVXAUSA-N 1 1 279.424 3.350 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCC[N@H+](CCCC)CC1 ZINC001195966682 811305828 /nfs/dbraw/zinc/30/58/28/811305828.db2.gz ROBATAGSMXAJLK-UHFFFAOYSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)C2(CC(C)C)CCC2)CC1 ZINC001196471024 811347741 /nfs/dbraw/zinc/34/77/41/811347741.db2.gz KBOANKHMFRMDNE-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C#CCCCCCC(=O)N1CCC[N@H+](C[C@H](C)CC)CC1 ZINC001196753129 811361190 /nfs/dbraw/zinc/36/11/90/811361190.db2.gz KWDPGLVECKFTFG-QGZVFWFLSA-N 1 1 292.467 3.151 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@@]2(C)C=CCC2)CC1 ZINC001196781876 811367924 /nfs/dbraw/zinc/36/79/24/811367924.db2.gz BOLOXBDAWGVMGH-WMZOPIPTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@H](C)CC(=C)C)CC1 ZINC001196881184 811376734 /nfs/dbraw/zinc/37/67/34/811376734.db2.gz QOWHPDKYUFKEKG-IAGOWNOFSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1CCC[N@H+](CCCCC)CC1 ZINC001196895172 811379241 /nfs/dbraw/zinc/37/92/41/811379241.db2.gz HQHNRCMGTKSQHH-MRXNPFEDSA-N 1 1 280.456 3.313 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[N@@H+](CCCCCF)CC1 ZINC001197036174 811391458 /nfs/dbraw/zinc/39/14/58/811391458.db2.gz BHYQHRRJJOCFPM-KRWDZBQOSA-N 1 1 298.446 3.263 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)[C@@H](C)CC(C)(C)C)CC1 ZINC001197346119 811418510 /nfs/dbraw/zinc/41/85/10/811418510.db2.gz IXCIXBXCESJAMG-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H](C)[C@H](C)CC)CC1 ZINC001197595857 811431751 /nfs/dbraw/zinc/43/17/51/811431751.db2.gz DRCXJQLIPJGFPA-CVEARBPZSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@]2(C)C(C)C)CC1 ZINC001197628576 811438999 /nfs/dbraw/zinc/43/89/99/811438999.db2.gz CPACCWXJBLNYQX-WMZOPIPTSA-N 1 1 292.467 3.169 20 30 CGEDMO C[C@@H]1Cc2n[nH]cc2C[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001197785546 811452417 /nfs/dbraw/zinc/45/24/17/811452417.db2.gz GVENOSIJYNWYOU-CYBMUJFWSA-N 1 1 299.805 3.109 20 30 CGEDMO C[C@@H]1Cc2n[nH]cc2C[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001197785546 811452421 /nfs/dbraw/zinc/45/24/21/811452421.db2.gz GVENOSIJYNWYOU-CYBMUJFWSA-N 1 1 299.805 3.109 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H]1C(=O)NC(C)(C)C ZINC001198000852 811471676 /nfs/dbraw/zinc/47/16/76/811471676.db2.gz KNTZRUSMJFLXBU-CQSZACIVSA-N 1 1 268.445 3.336 20 30 CGEDMO C#CCC[N@@H+]1CCCN(C(=O)[C@H](CC)CCCCC)CC1 ZINC001198204512 811485079 /nfs/dbraw/zinc/48/50/79/811485079.db2.gz ISUBCDADEPERBM-QGZVFWFLSA-N 1 1 292.467 3.151 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCO[C@H](c3ccccc3)CC2)C1 ZINC001198708565 811537405 /nfs/dbraw/zinc/53/74/05/811537405.db2.gz ZDYWKVHIJVKKAQ-PVAVHDDUSA-N 1 1 270.376 3.142 20 30 CGEDMO C=CCOCC[N@H+]1CCc2cc(C(C)C)ccc2C1 ZINC001198844725 811546834 /nfs/dbraw/zinc/54/68/34/811546834.db2.gz RTUCWVDXOFZYNP-UHFFFAOYSA-N 1 1 259.393 3.371 20 30 CGEDMO CC(C)C[N@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001201478997 811855659 /nfs/dbraw/zinc/85/56/59/811855659.db2.gz UNWKCFCMWKTFLA-OAHLLOKOSA-N 1 1 258.365 3.057 20 30 CGEDMO N#Cc1ccc(Nc2c[nH+]c3ccccn23)c(F)c1 ZINC001201559882 811903635 /nfs/dbraw/zinc/90/36/35/811903635.db2.gz CJMDBSKNKGRUSM-UHFFFAOYSA-N 1 1 252.252 3.089 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H](C)[C@]2(CCN(CC)C2=O)C1 ZINC001201762209 811963305 /nfs/dbraw/zinc/96/33/05/811963305.db2.gz BJAXSGMBXFVGLW-RDJZCZTQSA-N 1 1 280.456 3.147 20 30 CGEDMO CCCCCCC[N@@H+]1Cc2nn(CC)cc2[C@H](COC)C1 ZINC001201762823 811963531 /nfs/dbraw/zinc/96/35/31/811963531.db2.gz WYFVLTHFMKZXTL-HNNXBMFYSA-N 1 1 293.455 3.419 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](Oc2nccc(C)n2)C1 ZINC001201798040 811966430 /nfs/dbraw/zinc/96/64/30/811966430.db2.gz MIDJUEHFCHFLFK-OAHLLOKOSA-N 1 1 277.412 3.209 20 30 CGEDMO CCCCCCCCN1CC[N@H+]2C[C@H](OCC)C[C@H]2C1 ZINC001201813786 811967406 /nfs/dbraw/zinc/96/74/06/811967406.db2.gz JIWZLMIOQQEVHB-DLBZAZTESA-N 1 1 282.472 3.142 20 30 CGEDMO CCCCCCCC[N@@H+]1CCN2C[C@H](OCC)C[C@H]2C1 ZINC001201813786 811967411 /nfs/dbraw/zinc/96/74/11/811967411.db2.gz JIWZLMIOQQEVHB-DLBZAZTESA-N 1 1 282.472 3.142 20 30 CGEDMO CCCCCCCC[N@H+]1CCN2C[C@H](OCC)C[C@H]2C1 ZINC001201813786 811967416 /nfs/dbraw/zinc/96/74/16/811967416.db2.gz JIWZLMIOQQEVHB-DLBZAZTESA-N 1 1 282.472 3.142 20 30 CGEDMO CCCCCCCC[N@@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC001201840513 811968879 /nfs/dbraw/zinc/96/88/79/811968879.db2.gz YXSYSZPESIXIJD-SYMSYNOKSA-N 1 1 251.414 3.456 20 30 CGEDMO CCCCCCCCCC[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC001201875298 811974153 /nfs/dbraw/zinc/97/41/53/811974153.db2.gz UOTZGIPKLKKXAF-OAHLLOKOSA-N 1 1 282.428 3.264 20 30 CGEDMO CCCCCCCCCC[N@H+]1C[C@H]2CN(C)C(=O)[C@H]2C1 ZINC001201874961 811974277 /nfs/dbraw/zinc/97/42/77/811974277.db2.gz MPILPWLCUZMZME-CVEARBPZSA-N 1 1 280.456 3.147 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@@H+](CCCC(F)(F)F)CC2 ZINC001202377918 812081233 /nfs/dbraw/zinc/08/12/33/812081233.db2.gz QMEOQVDDNQGDMH-UHFFFAOYSA-N 1 1 268.282 3.259 20 30 CGEDMO CCOC[C@@]12CCC[C@@H]1C[N@@H+](Cc1cccc(C#N)c1)C2 ZINC001203757245 812456395 /nfs/dbraw/zinc/45/63/95/812456395.db2.gz IQOIRKPKNILCGC-MSOLQXFVSA-N 1 1 284.403 3.197 20 30 CGEDMO N#Cc1ccc(Nc2cc[nH+]cc2C(F)(F)F)cc1F ZINC001204028815 812524917 /nfs/dbraw/zinc/52/49/17/812524917.db2.gz RADFYUVGFXPQSN-UHFFFAOYSA-N 1 1 281.212 3.277 20 30 CGEDMO C=CCOc1ccc(C[N@H+](CC)C2CCN(C)CC2)cc1 ZINC001204300467 812604668 /nfs/dbraw/zinc/60/46/68/812604668.db2.gz RWUSQOBDURUHFC-UHFFFAOYSA-N 1 1 288.435 3.168 20 30 CGEDMO CN1CCC([N@@H+](Cc2ccccc2C#N)C2CCCC2)CC1 ZINC001204374665 812622585 /nfs/dbraw/zinc/62/25/85/812622585.db2.gz DITHISRWZBBYEI-UHFFFAOYSA-N 1 1 297.446 3.397 20 30 CGEDMO C[NH+]1CCC(N(Cc2ccccc2C#N)C2CCCC2)CC1 ZINC001204374665 812622588 /nfs/dbraw/zinc/62/25/88/812622588.db2.gz DITHISRWZBBYEI-UHFFFAOYSA-N 1 1 297.446 3.397 20 30 CGEDMO CC(=O)n1cc(C[N@H+]2CCC[C@H](CC#N)C2)c2ccccc21 ZINC001204409417 812630652 /nfs/dbraw/zinc/63/06/52/812630652.db2.gz WLHSUDNSHJRLFQ-OAHLLOKOSA-N 1 1 295.386 3.427 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1ccc2c(c1)CCO2 ZINC001204493782 812656209 /nfs/dbraw/zinc/65/62/09/812656209.db2.gz WBZVSJUUPRUAEU-UHFFFAOYSA-N 1 1 258.365 3.137 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1ccc2c(c1)CCO2 ZINC001204493782 812656214 /nfs/dbraw/zinc/65/62/14/812656214.db2.gz WBZVSJUUPRUAEU-UHFFFAOYSA-N 1 1 258.365 3.137 20 30 CGEDMO C=CCC[N@H+](Cc1cn(C)nc1C)Cc1ccccc1 ZINC001204578160 812680429 /nfs/dbraw/zinc/68/04/29/812680429.db2.gz DYJMTFLBCYFWHO-UHFFFAOYSA-N 1 1 269.392 3.307 20 30 CGEDMO C#CCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001205012281 812824250 /nfs/dbraw/zinc/82/42/50/812824250.db2.gz KUVDCXONEMLXDL-GFCCVEGCSA-N 1 1 284.186 3.218 20 30 CGEDMO C#CCO[C@@H]1CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001205012281 812824260 /nfs/dbraw/zinc/82/42/60/812824260.db2.gz KUVDCXONEMLXDL-GFCCVEGCSA-N 1 1 284.186 3.218 20 30 CGEDMO C=CCO[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001205036833 812834398 /nfs/dbraw/zinc/83/43/98/812834398.db2.gz FFVVMOZRADIKQH-FVQHAEBGSA-N 1 1 257.377 3.385 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H](F)CC2)ccc1F ZINC001205459099 812986162 /nfs/dbraw/zinc/98/61/62/812986162.db2.gz BLDUKJNLRCIFNM-CYBMUJFWSA-N 1 1 250.292 3.021 20 30 CGEDMO N#Cc1ccccc1CO[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001205579794 813011104 /nfs/dbraw/zinc/01/11/04/813011104.db2.gz QPHZSRSZJGOSGO-IBGZPJMESA-N 1 1 292.382 3.349 20 30 CGEDMO C=CCCCCCC[N@@H+]1CC[C@](N)(C(F)(F)F)C1 ZINC001206221722 813247255 /nfs/dbraw/zinc/24/72/55/813247255.db2.gz INNJUWMXYMSDLX-GFCCVEGCSA-N 1 1 264.335 3.088 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[N@@H+](CCCCCCC)C[C@H]1C ZINC001206544787 813347360 /nfs/dbraw/zinc/34/73/60/813347360.db2.gz MTSUHLLVNKFJHD-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO N#Cc1ccc(CC[NH2+]Cc2ccc(Cl)cc2O)cc1 ZINC001206635358 813382585 /nfs/dbraw/zinc/38/25/85/813382585.db2.gz ANTFHYDUPQBREM-UHFFFAOYSA-N 1 1 286.762 3.250 20 30 CGEDMO C(#Cc1ccccc1)CNC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001206692084 813400433 /nfs/dbraw/zinc/40/04/33/813400433.db2.gz XMZUTFSIHSKUGU-IBGZPJMESA-N 1 1 282.431 3.035 20 30 CGEDMO C(#Cc1ccccc1)C[NH2+]C[C@@H]1CCN1C1CCCCC1 ZINC001206692084 813400436 /nfs/dbraw/zinc/40/04/36/813400436.db2.gz XMZUTFSIHSKUGU-IBGZPJMESA-N 1 1 282.431 3.035 20 30 CGEDMO COc1cc(C#N)ccc1Nc1c[nH+]c(N(C)C)cc1C ZINC001206744589 813417409 /nfs/dbraw/zinc/41/74/09/813417409.db2.gz VDFOFMMIPPLGAD-UHFFFAOYSA-N 1 1 282.347 3.080 20 30 CGEDMO COc1ccc(C#N)cc1Nc1c[nH+]c(N(C)C)cc1C ZINC001206748926 813420276 /nfs/dbraw/zinc/42/02/76/813420276.db2.gz UGDRRXCRDHOFTP-UHFFFAOYSA-N 1 1 282.347 3.080 20 30 CGEDMO C#CCCCCC(=O)N[C@@H]1C[N@@H+](CC(CC)CC)C[C@H]1C ZINC001206886182 813457199 /nfs/dbraw/zinc/45/71/99/813457199.db2.gz VXPMRODTKWSJED-NVXWUHKLSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1ccc[nH]c1=O ZINC001207007979 813465723 /nfs/dbraw/zinc/46/57/23/813465723.db2.gz ZZICBQDEXGIULN-UHFFFAOYSA-N 1 1 268.360 3.366 20 30 CGEDMO CNc1ccccc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC001207008970 813465731 /nfs/dbraw/zinc/46/57/31/813465731.db2.gz QMVKOERDPSZXEJ-UHFFFAOYSA-N 1 1 291.398 3.353 20 30 CGEDMO Cn1cc(C[N@@H+](C)C23CC4CC(CC(C4)C2)C3)cc1C#N ZINC001207106965 813487823 /nfs/dbraw/zinc/48/78/23/813487823.db2.gz ZUNGBCBGXHOTEC-UHFFFAOYSA-N 1 1 283.419 3.297 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[C@@H](C)CC)C1 ZINC001207120443 813489808 /nfs/dbraw/zinc/48/98/08/813489808.db2.gz PPYDJIVOHOQXPU-ARFHVFGLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[C@@H]([NH2+][C@@H](C)CCCCCC)C(=O)OC ZINC001207128874 813492929 /nfs/dbraw/zinc/49/29/29/813492929.db2.gz HAKHTRQJYQKMQL-UONOGXRCSA-N 1 1 255.402 3.443 20 30 CGEDMO C=CCN(CC[N@@H+]1C[C@@H](C)CC12CC2)C(=O)OC(C)(C)C ZINC001207204559 813515096 /nfs/dbraw/zinc/51/50/96/813515096.db2.gz RIXGGDKVSCZBAQ-AWEZNQCLSA-N 1 1 294.439 3.284 20 30 CGEDMO C=CCN(CC[N@H+]1CCC2(CCC2)C1)C(=O)OC(C)(C)C ZINC001207203745 813515273 /nfs/dbraw/zinc/51/52/73/813515273.db2.gz OZXARBPIATZJHH-UHFFFAOYSA-N 1 1 294.439 3.286 20 30 CGEDMO N#Cc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(Cl)cc1O)C2 ZINC001207243057 813521672 /nfs/dbraw/zinc/52/16/72/813521672.db2.gz IFXWBJZCPKKHRD-MRXNPFEDSA-N 1 1 298.773 3.174 20 30 CGEDMO C[C@@]1(C#N)CCN(CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207293915 813538487 /nfs/dbraw/zinc/53/84/87/813538487.db2.gz NCPIYEXVUKCBKU-IBGZPJMESA-N 1 1 297.446 3.134 20 30 CGEDMO C=C(C)C[C@H]([NH2+]C1CCCCCC1)C(=O)OCC ZINC001207333944 813542331 /nfs/dbraw/zinc/54/23/31/813542331.db2.gz LPYCGAIKAJXYGU-AWEZNQCLSA-N 1 1 253.386 3.197 20 30 CGEDMO N#Cc1ccc2c(c1)CC[N@H+](CCc1ccc(F)cc1)C2 ZINC001207511802 813581133 /nfs/dbraw/zinc/58/11/33/813581133.db2.gz RWIWGOJXKJTULE-UHFFFAOYSA-N 1 1 280.346 3.298 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](CC[C@H](C)CCCC(C)(C)O)C1 ZINC001207679021 813633887 /nfs/dbraw/zinc/63/38/87/813633887.db2.gz UNJNRRLMAGQQLO-HZPDHXFCSA-N 1 1 265.441 3.299 20 30 CGEDMO CC#CC[N@H+](C)Cc1cn(-c2ccccc2Cl)nc1C ZINC001207716349 813639725 /nfs/dbraw/zinc/63/97/25/813639725.db2.gz XFZZMVQDEDSXOT-UHFFFAOYSA-N 1 1 287.794 3.289 20 30 CGEDMO CC#CC[N@@H+](C)Cc1cn(-c2ccccc2Cl)nc1C ZINC001207716349 813639731 /nfs/dbraw/zinc/63/97/31/813639731.db2.gz XFZZMVQDEDSXOT-UHFFFAOYSA-N 1 1 287.794 3.289 20 30 CGEDMO C=CCC1(O)C[NH+]([C@@H]2C[C@H](C)Sc3sccc32)C1 ZINC001207804694 813654111 /nfs/dbraw/zinc/65/41/11/813654111.db2.gz CCZNLEYMKZXYDK-CMPLNLGQSA-N 1 1 281.446 3.296 20 30 CGEDMO CCCCCCC/C=C/C[N@@H+]1CCN(C(C)=O)[C@H](C)C1 ZINC001208124124 813698537 /nfs/dbraw/zinc/69/85/37/813698537.db2.gz KUAILTUOGLHNQP-SIFUEBAJSA-N 1 1 280.456 3.456 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CCN(C(C)=O)[C@H](C)C1 ZINC001208124124 813698542 /nfs/dbraw/zinc/69/85/42/813698542.db2.gz KUAILTUOGLHNQP-SIFUEBAJSA-N 1 1 280.456 3.456 20 30 CGEDMO CCCCCCC/C=C/C[N@@H+]1CC[C@@](F)(CO)C1 ZINC001208119515 813698648 /nfs/dbraw/zinc/69/86/48/813698648.db2.gz CYZIJETZLWZSRM-HVHJFMEUSA-N 1 1 257.393 3.309 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CC[C@@](F)(CO)C1 ZINC001208119515 813698651 /nfs/dbraw/zinc/69/86/51/813698651.db2.gz CYZIJETZLWZSRM-HVHJFMEUSA-N 1 1 257.393 3.309 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[NH+]2CCN(C(=O)C(C)C)CC2)CC1 ZINC001208179434 813730468 /nfs/dbraw/zinc/73/04/68/813730468.db2.gz ZBUVWHCKBAYTGE-QGZVFWFLSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccsc2)C[C@H]1C ZINC001208458438 813762043 /nfs/dbraw/zinc/76/20/43/813762043.db2.gz JPNHFMWMDIPWQJ-UKRRQHHQSA-N 1 1 292.448 3.041 20 30 CGEDMO C[C@@H](C[N@H+]1CCC[C@@H](C#N)CC1)OCc1ccccc1 ZINC001208700389 813801925 /nfs/dbraw/zinc/80/19/25/813801925.db2.gz IIIBKYHEFOYYIG-JKSUJKDBSA-N 1 1 272.392 3.217 20 30 CGEDMO C=CCN1C(=O)CC[C@@]12CCC[N@H+](CC/C=C\CC)CC2 ZINC001208726876 813814442 /nfs/dbraw/zinc/81/44/42/813814442.db2.gz DCCBAIQPHWTDOW-OOFWQKGWSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](CC/C=C\CC)C2 ZINC001208729045 813818322 /nfs/dbraw/zinc/81/83/22/813818322.db2.gz ZIGCFDATEXVHAK-JEZUCGJFSA-N 1 1 279.424 3.169 20 30 CGEDMO CC(C)CCC[NH+]1CC(Oc2ccccc2C#N)C1 ZINC001208737450 813828194 /nfs/dbraw/zinc/82/81/94/813828194.db2.gz MBKGZJCOMGUHKP-UHFFFAOYSA-N 1 1 258.365 3.057 20 30 CGEDMO C[N@@H+](CCC#N)CCCc1ccccc1C(F)(F)F ZINC001208829815 813856181 /nfs/dbraw/zinc/85/61/81/813856181.db2.gz UHOFXVGXROBJHH-UHFFFAOYSA-N 1 1 270.298 3.483 20 30 CGEDMO C[N@H+](CCC#N)CCCc1ccccc1C(F)(F)F ZINC001208829815 813856191 /nfs/dbraw/zinc/85/61/91/813856191.db2.gz UHOFXVGXROBJHH-UHFFFAOYSA-N 1 1 270.298 3.483 20 30 CGEDMO CC[N@@H+](CCCc1cccc(C#N)c1)Cc1ccccn1 ZINC001208851276 813867322 /nfs/dbraw/zinc/86/73/22/813867322.db2.gz VHALWWCQMUFKEL-UHFFFAOYSA-N 1 1 279.387 3.408 20 30 CGEDMO N#Cc1ccc(CCC[N@@H+]2CC[C@@]3(CC3(F)F)C2)cc1 ZINC001208858126 813868955 /nfs/dbraw/zinc/86/89/55/813868955.db2.gz ISQUJTZSRCLSPS-OAHLLOKOSA-N 1 1 276.330 3.222 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](CC2CCN(c3ccccc3)CC2)C1 ZINC001208910907 813896728 /nfs/dbraw/zinc/89/67/28/813896728.db2.gz ADXNKMKZNDHPAX-KRWDZBQOSA-N 1 1 283.419 3.139 20 30 CGEDMO CCC[N@@H+](CCc1ccc(C#N)cc1)CCc1ccccn1 ZINC001208928187 813901320 /nfs/dbraw/zinc/90/13/20/813901320.db2.gz YRXKZKFQYDCHOM-UHFFFAOYSA-N 1 1 293.414 3.450 20 30 CGEDMO CCCN(CCC#N)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208947351 813906522 /nfs/dbraw/zinc/90/65/22/813906522.db2.gz AXNOMWNDUYJSOI-SFHVURJKSA-N 1 1 285.435 3.134 20 30 CGEDMO C=CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)OCC=C)C2 ZINC001209157155 813949955 /nfs/dbraw/zinc/94/99/55/813949955.db2.gz PQSDSYPJFIYDGX-KRWDZBQOSA-N 1 1 292.423 3.063 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001209158394 813950015 /nfs/dbraw/zinc/95/00/15/813950015.db2.gz MZTBXEKPVMFUCR-KRWDZBQOSA-N 1 1 294.439 3.428 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](c2noc(C(F)(F)F)n2)C1 ZINC001209160123 813951960 /nfs/dbraw/zinc/95/19/60/813951960.db2.gz HDBBMXQSAFRBAF-JTQLQIEISA-N 1 1 289.301 3.234 20 30 CGEDMO C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001209162899 813953874 /nfs/dbraw/zinc/95/38/74/813953874.db2.gz NXHXVZNUFOZWOB-CABCVRRESA-N 1 1 294.439 3.284 20 30 CGEDMO C=CCCCC[N@@H+]1CCC12CN(C(=O)OC(C)(C)C)C2 ZINC001209201891 813965248 /nfs/dbraw/zinc/96/52/48/813965248.db2.gz YATMIPNBZQAYHR-UHFFFAOYSA-N 1 1 280.412 3.038 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@@]2(CCN2C(=O)OC(C)(C)C)C1 ZINC001209201436 813965423 /nfs/dbraw/zinc/96/54/23/813965423.db2.gz LNSWVTLXOOCYAZ-QGZVFWFLSA-N 1 1 294.439 3.428 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC001209204930 813965974 /nfs/dbraw/zinc/96/59/74/813965974.db2.gz LPDSFOUTVMEMHA-AWEZNQCLSA-N 1 1 282.428 3.332 20 30 CGEDMO C=CCCCC[N@H+]1CCn2cc(C(F)(F)F)nc2C1 ZINC001209202366 813966738 /nfs/dbraw/zinc/96/67/38/813966738.db2.gz FUPPWGLQAKAQPC-UHFFFAOYSA-N 1 1 273.302 3.074 20 30 CGEDMO C=CCCCC[N@@H+]1CCn2cc(C(F)(F)F)nc2C1 ZINC001209202366 813966741 /nfs/dbraw/zinc/96/67/41/813966741.db2.gz FUPPWGLQAKAQPC-UHFFFAOYSA-N 1 1 273.302 3.074 20 30 CGEDMO C=CCCCC[N@@H+]1CCc2nc(C(=O)OCC)sc2C1 ZINC001209207353 813968163 /nfs/dbraw/zinc/96/81/63/813968163.db2.gz VAQDERSAUPQTEE-UHFFFAOYSA-N 1 1 294.420 3.034 20 30 CGEDMO C=CCCCC[N@H+]1CCc2nc(C(=O)OCC)sc2C1 ZINC001209207353 813968167 /nfs/dbraw/zinc/96/81/67/813968167.db2.gz VAQDERSAUPQTEE-UHFFFAOYSA-N 1 1 294.420 3.034 20 30 CGEDMO C=CCCCC[N@@H+](CCC(=O)OCC)[C@@H](CCC)COC ZINC001209207298 813968285 /nfs/dbraw/zinc/96/82/85/813968285.db2.gz RKMYCPFFAWWAHZ-INIZCTEOSA-N 1 1 299.455 3.413 20 30 CGEDMO N#C[C@H]1CCC[N@H+](CCc2ccc(F)c(F)c2)CC1 ZINC001209244219 813979377 /nfs/dbraw/zinc/97/93/77/813979377.db2.gz QYEOTVBWGOJKOS-ZDUSSCGKSA-N 1 1 264.319 3.133 20 30 CGEDMO COc1cc(C#N)ccc1Nc1c(C)[nH+]c2ccccn21 ZINC001209272354 813991213 /nfs/dbraw/zinc/99/12/13/813991213.db2.gz PLMIHAPCABMXFV-UHFFFAOYSA-N 1 1 278.315 3.267 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](C[C@H]1C[C@H]1C)[C@H]2CC ZINC001209411105 814017442 /nfs/dbraw/zinc/01/74/42/814017442.db2.gz BDPYUNSKAWLKKR-CBZIJGRNSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)N2CCCC2)C1 ZINC001209432244 814033720 /nfs/dbraw/zinc/03/37/20/814033720.db2.gz BIUILECJXFGKRT-MRXNPFEDSA-N 1 1 293.455 3.003 20 30 CGEDMO C=CCCCCCC[N@H+]1CCC[C@]2(CCCC(=O)N2)C1 ZINC001209437887 814036882 /nfs/dbraw/zinc/03/68/82/814036882.db2.gz XVHUHMHKBLQDJO-QGZVFWFLSA-N 1 1 278.440 3.258 20 30 CGEDMO C=CCCCCCC[N@H+](C)[C@H]1CCCN(C(C)=O)C1 ZINC001209441234 814040687 /nfs/dbraw/zinc/04/06/87/814040687.db2.gz WFUYZTHWYPYWKJ-INIZCTEOSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCCCCCCC[NH+]1C[C@H]2CN(CC)C[C@@H]2C1 ZINC001209442003 814041854 /nfs/dbraw/zinc/04/18/54/814041854.db2.gz MUNGYXUEVQOWCV-IAGOWNOFSA-N 1 1 264.457 3.397 20 30 CGEDMO C=CCCCCCCCC[N@H+]1CCCO[C@H](C(=O)OC)C1 ZINC001209446468 814045287 /nfs/dbraw/zinc/04/52/87/814045287.db2.gz ZSTWCWUDFIWLLD-INIZCTEOSA-N 1 1 297.439 3.167 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1c[nH]nc1-c1ccccc1 ZINC001209764296 814132830 /nfs/dbraw/zinc/13/28/30/814132830.db2.gz ULVZYUDULRNDJM-UHFFFAOYSA-N 1 1 268.364 3.202 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1c[nH]nc1-c1ccccc1 ZINC001209764296 814132835 /nfs/dbraw/zinc/13/28/35/814132835.db2.gz ULVZYUDULRNDJM-UHFFFAOYSA-N 1 1 268.364 3.202 20 30 CGEDMO COc1cccc(Nc2ccc3[nH]c[nH+]c3c2)c1C#N ZINC001209847669 814166612 /nfs/dbraw/zinc/16/66/12/814166612.db2.gz DLOKQMZDWIAKRZ-UHFFFAOYSA-N 1 1 264.288 3.187 20 30 CGEDMO N#Cc1cc(N)c(Nc2ccc3c[nH+]ccc3c2)cc1C#N ZINC001210052356 814265254 /nfs/dbraw/zinc/26/52/54/814265254.db2.gz PDUBZTIKPSYVDL-UHFFFAOYSA-N 1 1 285.310 3.304 20 30 CGEDMO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)CCCCCC)C1 ZINC001210226688 814354162 /nfs/dbraw/zinc/35/41/62/814354162.db2.gz SXTUCFQZDLHOLC-BRWVUGGUSA-N 1 1 292.467 3.053 20 30 CGEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCCCCCC)C1 ZINC001210547165 814519333 /nfs/dbraw/zinc/51/93/33/814519333.db2.gz HDISWEYZAOBVOY-IAGOWNOFSA-N 1 1 292.467 3.197 20 30 CGEDMO CSc1cc(C)ccc1[NH+]=C(NO)c1ccccc1N ZINC001215873203 815619730 /nfs/dbraw/zinc/61/97/30/815619730.db2.gz LTOQZKOROWPAQU-UHFFFAOYSA-N 1 1 287.388 3.356 20 30 CGEDMO Cc1cc(-c2c[nH+]c(N(C)C)cc2C)ccc1C#N ZINC001242768724 823127431 /nfs/dbraw/zinc/12/74/31/823127431.db2.gz XHTWZSGBARXZGV-UHFFFAOYSA-N 1 1 251.333 3.303 20 30 CGEDMO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@](C)(CC)CCCCC)C1 ZINC001211395209 814889026 /nfs/dbraw/zinc/88/90/26/814889026.db2.gz KSNNBIJTPWOPPR-NUJGCVRESA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)/C=C/C(C)(C)C)[C@@H]2C1 ZINC001221454878 816315109 /nfs/dbraw/zinc/31/51/09/816315109.db2.gz MBTQWBQAPAXERF-HKFHSAMXSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(C)CCC(=O)N1C[C@H]2CC[N@H+](CC(CC)CC)C[C@H]21 ZINC001221584932 816320602 /nfs/dbraw/zinc/32/06/02/816320602.db2.gz KHDRQZCUAMAXEL-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC)CCCC)C[C@@H]21 ZINC001222310532 816404948 /nfs/dbraw/zinc/40/49/48/816404948.db2.gz QDFWPVZVUQWWFB-BBWFWOEESA-N 1 1 292.467 3.312 20 30 CGEDMO CCCCCCCCCCC[N@@H+]1CCOC2(CNC2)C1 ZINC001222447478 816447489 /nfs/dbraw/zinc/44/74/89/816447489.db2.gz ZNXHSIAPBPLBDY-UHFFFAOYSA-N 1 1 282.472 3.191 20 30 CGEDMO CCCCCCCCCCC[N@H+]1CCOC2(CNC2)C1 ZINC001222447478 816447495 /nfs/dbraw/zinc/44/74/95/816447495.db2.gz ZNXHSIAPBPLBDY-UHFFFAOYSA-N 1 1 282.472 3.191 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]2CC[N@H+](CCC(C)C)[C@H]2C1 ZINC001222790427 816518160 /nfs/dbraw/zinc/51/81/60/816518160.db2.gz YPDWRKMLGWSXFM-SJORKVTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[C@H]2CC[N@H+](CCCC)[C@H]2C1 ZINC001223338303 816607910 /nfs/dbraw/zinc/60/79/10/816607910.db2.gz LMRKCLPSKKPICT-ZACQAIPSSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3(CCCC)CC3)C[C@@H]21 ZINC001223446063 816630925 /nfs/dbraw/zinc/63/09/25/816630925.db2.gz GVQJEMVWMXBVRT-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3(CCC)CC3)C[C@@H]21 ZINC001223476048 816635603 /nfs/dbraw/zinc/63/56/03/816635603.db2.gz ZDNFRGRQOUAARG-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C[C@@H](C)OC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001224829975 816891426 /nfs/dbraw/zinc/89/14/26/816891426.db2.gz LBEJCUDPJJFOHV-WBVHZDCISA-N 1 1 259.393 3.490 20 30 CGEDMO N#Cc1ccccc1O[C@H]1CCN2Cc3ccccc3[NH+]=C12 ZINC001225198820 816957707 /nfs/dbraw/zinc/95/77/07/816957707.db2.gz KSUDATMKIAHFCZ-KRWDZBQOSA-N 1 1 289.338 3.255 20 30 CGEDMO Cc1ccc(N2CCC[C@@H](Oc3ccc(C#N)cc3)C2)[nH+]c1 ZINC001225247663 816978897 /nfs/dbraw/zinc/97/88/97/816978897.db2.gz QYJSYNMUPVZMNP-QGZVFWFLSA-N 1 1 293.370 3.310 20 30 CGEDMO COc1cccc(CC#N)c1O[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001225842105 817194026 /nfs/dbraw/zinc/19/40/26/817194026.db2.gz UVGOCTFAVVIGBJ-OAHLLOKOSA-N 1 1 288.391 3.013 20 30 CGEDMO CC(C)c1ccc(C#N)c(O[C@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)n1 ZINC001226354596 817334855 /nfs/dbraw/zinc/33/48/55/817334855.db2.gz WNQXRHZLNAASDD-QLPKVWCKSA-N 1 1 299.418 3.186 20 30 CGEDMO CC(=O)c1cc(C#N)ccc1O[C@H]1CCC[N@H+](C(C)C)C1 ZINC001226974169 817521115 /nfs/dbraw/zinc/52/11/15/817521115.db2.gz CBHVNDVIDOXFNM-HNNXBMFYSA-N 1 1 286.375 3.012 20 30 CGEDMO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1C/C=C\c1ccccc1 ZINC001231112546 818033292 /nfs/dbraw/zinc/03/32/92/818033292.db2.gz CPRGLWOYPKHEGF-YFWYWMRJSA-N 1 1 298.430 3.199 20 30 CGEDMO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1C/C=C\c1ccccc1 ZINC001231112546 818033300 /nfs/dbraw/zinc/03/33/00/818033300.db2.gz CPRGLWOYPKHEGF-YFWYWMRJSA-N 1 1 298.430 3.199 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H](C)CCC ZINC001231129192 818038994 /nfs/dbraw/zinc/03/89/94/818038994.db2.gz AKRZCGRVRPBQBA-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCC(C)(C)C ZINC001231227358 818061432 /nfs/dbraw/zinc/06/14/32/818061432.db2.gz YAIGCPNRCPVABG-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CCC1CC1 ZINC001231350578 818082696 /nfs/dbraw/zinc/08/26/96/818082696.db2.gz SQRWSACSRSZHQC-GDBMZVCRSA-N 1 1 278.440 3.064 20 30 CGEDMO C[N@@H+](Cc1ccccc1C#Cc1ccccc1)[C@@H]1CCOC1 ZINC001231578930 818127651 /nfs/dbraw/zinc/12/76/51/818127651.db2.gz UTKHDHFUKBIUDD-HXUWFJFHSA-N 1 1 291.394 3.307 20 30 CGEDMO Cc1cccc(C[N@H+]2CCc3cc(C#N)ccc3C2)c1O ZINC001231591027 818132295 /nfs/dbraw/zinc/13/22/95/818132295.db2.gz QIHXMOHFGSKXBG-UHFFFAOYSA-N 1 1 278.355 3.131 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001231617191 818137704 /nfs/dbraw/zinc/13/77/04/818137704.db2.gz PCGGJNJQLHVZLT-CABCVRRESA-N 1 1 270.376 3.189 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CC[C@@]3(C2)CCCCO3)c1 ZINC001231621017 818138164 /nfs/dbraw/zinc/13/81/64/818138164.db2.gz LYDPBQJECNPPLF-GOSISDBHSA-N 1 1 287.403 3.396 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@](C)(F)CC1 ZINC001231616413 818138712 /nfs/dbraw/zinc/13/87/12/818138712.db2.gz CBCRDWHFCOOYTF-MRXNPFEDSA-N 1 1 276.355 3.281 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C)C[C@@H]1C ZINC001231618580 818138754 /nfs/dbraw/zinc/13/87/54/818138754.db2.gz OHIUPFHJJZYBTQ-OLZOCXBDSA-N 1 1 258.365 3.187 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCC(=O)[C@H](C)CC2)c1 ZINC001231620961 818138922 /nfs/dbraw/zinc/13/89/22/818138922.db2.gz JVTKAATWOVUZSD-CQSZACIVSA-N 1 1 273.376 3.052 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCC(=O)[C@H](C)CC2)c1 ZINC001231620961 818138926 /nfs/dbraw/zinc/13/89/26/818138926.db2.gz JVTKAATWOVUZSD-CQSZACIVSA-N 1 1 273.376 3.052 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)c1 ZINC001231625447 818141237 /nfs/dbraw/zinc/14/12/37/818141237.db2.gz WYNWLQYYZGVBEN-WBVHZDCISA-N 1 1 285.387 3.052 20 30 CGEDMO C#Cc1cccc(C[N@H+](C)CCc2cccc(OC)c2)c1 ZINC001231664325 818153681 /nfs/dbraw/zinc/15/36/81/818153681.db2.gz ZQNGMAYZMGLESO-UHFFFAOYSA-N 1 1 279.383 3.351 20 30 CGEDMO COc1cc(O)c(C[N@H+]2CCC[C@@H](C#N)CC2)cc1Cl ZINC001232269724 818300947 /nfs/dbraw/zinc/30/09/47/818300947.db2.gz IYEYESWQJLNUKC-LLVKDONJSA-N 1 1 294.782 3.180 20 30 CGEDMO CCOc1ncc(C[N@H+](CCC#N)C2CCCC2)cc1C ZINC001232307792 818310104 /nfs/dbraw/zinc/31/01/04/818310104.db2.gz CKHYITJPXXDYJT-UHFFFAOYSA-N 1 1 287.407 3.447 20 30 CGEDMO CCOc1ncc(C[N@@H+](CCC#N)C2CCCC2)cc1C ZINC001232307792 818310112 /nfs/dbraw/zinc/31/01/12/818310112.db2.gz CKHYITJPXXDYJT-UHFFFAOYSA-N 1 1 287.407 3.447 20 30 CGEDMO C[N@@H+](CCc1cccc(F)c1)Cc1cc(C#N)ccc1[O-] ZINC001232677630 818417484 /nfs/dbraw/zinc/41/74/84/818417484.db2.gz HEVNOYQXGPOAOF-UHFFFAOYSA-N 1 1 284.334 3.077 20 30 CGEDMO Cc1c(Cl)nccc1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001232752865 818433616 /nfs/dbraw/zinc/43/36/16/818433616.db2.gz DHIMNMIWJBTRQG-DEZZGGKRSA-N 1 1 275.783 3.310 20 30 CGEDMO Cc1c(Cl)nccc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001232752865 818433618 /nfs/dbraw/zinc/43/36/18/818433618.db2.gz DHIMNMIWJBTRQG-DEZZGGKRSA-N 1 1 275.783 3.310 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001232889521 818465432 /nfs/dbraw/zinc/46/54/32/818465432.db2.gz JHWDHSNSNGIXNG-OCCSQVGLSA-N 1 1 258.340 3.319 20 30 CGEDMO C[C@H]1CC[N@H+](Cc2ccc(Br)c(C#N)c2)C1 ZINC001232893321 818467432 /nfs/dbraw/zinc/46/74/32/818467432.db2.gz GAPZWVKGLCGVTJ-JTQLQIEISA-N 1 1 279.181 3.163 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccc(Br)c(C#N)c2)C1 ZINC001232893321 818467437 /nfs/dbraw/zinc/46/74/37/818467437.db2.gz GAPZWVKGLCGVTJ-JTQLQIEISA-N 1 1 279.181 3.163 20 30 CGEDMO C[N@H+](Cc1[nH]ccc1C#N)[C@H]1CCc2ccccc21 ZINC001233049449 818510993 /nfs/dbraw/zinc/51/09/93/818510993.db2.gz PBANXIBYBDYQFX-INIZCTEOSA-N 1 1 251.333 3.006 20 30 CGEDMO C[N@@H+](Cc1[nH]ccc1C#N)[C@H]1CCc2ccccc21 ZINC001233049449 818511002 /nfs/dbraw/zinc/51/10/02/818511002.db2.gz PBANXIBYBDYQFX-INIZCTEOSA-N 1 1 251.333 3.006 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](COCC2CC2)C1 ZINC001233082314 818519841 /nfs/dbraw/zinc/51/98/41/818519841.db2.gz HOWNBBGRTKWABM-QGZVFWFLSA-N 1 1 284.403 3.115 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1ccc(O)c(OCC2CC2)c1 ZINC001233228492 818546267 /nfs/dbraw/zinc/54/62/67/818546267.db2.gz SKVWJHFWYLLACF-UHFFFAOYSA-N 1 1 288.391 3.307 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1ccc(O)c(OCC2CC2)c1 ZINC001233228492 818546275 /nfs/dbraw/zinc/54/62/75/818546275.db2.gz SKVWJHFWYLLACF-UHFFFAOYSA-N 1 1 288.391 3.307 20 30 CGEDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC001233286653 818567123 /nfs/dbraw/zinc/56/71/23/818567123.db2.gz DBTRMOCZJNSZIA-QGZVFWFLSA-N 1 1 272.392 3.425 20 30 CGEDMO C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2O)CCC1(F)F ZINC001233383711 818605446 /nfs/dbraw/zinc/60/54/46/818605446.db2.gz SNOYXIQSYUTERQ-NSHDSACASA-N 1 1 280.318 3.131 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2O)CCC1(F)F ZINC001233383711 818605448 /nfs/dbraw/zinc/60/54/48/818605448.db2.gz SNOYXIQSYUTERQ-NSHDSACASA-N 1 1 280.318 3.131 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c([O-])c1 ZINC001233386765 818606190 /nfs/dbraw/zinc/60/61/90/818606190.db2.gz IDFMHYMQCIXBEY-DZGCQCFKSA-N 1 1 256.349 3.028 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c(O)c1 ZINC001233386765 818606192 /nfs/dbraw/zinc/60/61/92/818606192.db2.gz IDFMHYMQCIXBEY-DZGCQCFKSA-N 1 1 256.349 3.028 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c(O)c1 ZINC001233386765 818606194 /nfs/dbraw/zinc/60/61/94/818606194.db2.gz IDFMHYMQCIXBEY-DZGCQCFKSA-N 1 1 256.349 3.028 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c([O-])c1 ZINC001233387256 818606832 /nfs/dbraw/zinc/60/68/32/818606832.db2.gz BNLKADUUXJASKX-IYBDPMFKSA-N 1 1 290.366 3.351 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c(O)c1 ZINC001233387256 818606839 /nfs/dbraw/zinc/60/68/39/818606839.db2.gz BNLKADUUXJASKX-IYBDPMFKSA-N 1 1 290.366 3.351 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c(O)c1 ZINC001233387256 818606842 /nfs/dbraw/zinc/60/68/42/818606842.db2.gz BNLKADUUXJASKX-IYBDPMFKSA-N 1 1 290.366 3.351 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCSc3ccccc3C2)c([O-])c1 ZINC001233387724 818607168 /nfs/dbraw/zinc/60/71/68/818607168.db2.gz VQXSBAMXMUEMRA-UHFFFAOYSA-N 1 1 296.395 3.372 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCSc3ccccc3C2)c(O)c1 ZINC001233387724 818607172 /nfs/dbraw/zinc/60/71/72/818607172.db2.gz VQXSBAMXMUEMRA-UHFFFAOYSA-N 1 1 296.395 3.372 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCSc3ccccc3C2)c(O)c1 ZINC001233387724 818607176 /nfs/dbraw/zinc/60/71/76/818607176.db2.gz VQXSBAMXMUEMRA-UHFFFAOYSA-N 1 1 296.395 3.372 20 30 CGEDMO CCC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1O ZINC001233386145 818607613 /nfs/dbraw/zinc/60/76/13/818607613.db2.gz HQCFFSQUFVRUGD-OAHLLOKOSA-N 1 1 258.365 3.418 20 30 CGEDMO CCC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1O ZINC001233386145 818607617 /nfs/dbraw/zinc/60/76/17/818607617.db2.gz HQCFFSQUFVRUGD-OAHLLOKOSA-N 1 1 258.365 3.418 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CCC1CCC1 ZINC001233520352 818632057 /nfs/dbraw/zinc/63/20/57/818632057.db2.gz LJMJRIHFGRAKEG-WBVHZDCISA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C=C1CCC1 ZINC001233642899 818666040 /nfs/dbraw/zinc/66/60/40/818666040.db2.gz AXEBJYIIQLMIKC-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO CC[N@H+]1CCC[C@H](Oc2cc(C#N)cc(C(F)(F)F)c2)C1 ZINC001233656602 818671249 /nfs/dbraw/zinc/67/12/49/818671249.db2.gz CWRVFETWBIEGGZ-ZDUSSCGKSA-N 1 1 298.308 3.440 20 30 CGEDMO C[N@H+]1CCC[C@H](Oc2ccc3sc(C#N)nc3c2)CC1 ZINC001233698274 818684515 /nfs/dbraw/zinc/68/45/15/818684515.db2.gz NSWRJUSJFAECFJ-NSHDSACASA-N 1 1 287.388 3.031 20 30 CGEDMO C#CCCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)CCC=C ZINC001233761406 818699672 /nfs/dbraw/zinc/69/96/72/818699672.db2.gz IVSCKOPLIQJAFP-IRXDYDNUSA-N 1 1 290.451 3.067 20 30 CGEDMO C#CCCCCC(=O)N(C)C[C@H]1CC[N@H+]1CCC(C)(C)C ZINC001233762244 818700797 /nfs/dbraw/zinc/70/07/97/818700797.db2.gz RHPNJECEFLVEQX-MRXNPFEDSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)CCCC ZINC001234049361 818768061 /nfs/dbraw/zinc/76/80/61/818768061.db2.gz HCRWKFOVNJIPMX-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCCCC[N@H+](C)CCCNC(=O)[C@@H](C)CC ZINC001234126259 818786566 /nfs/dbraw/zinc/78/65/66/818786566.db2.gz JPIQCYFGHJTZNJ-HNNXBMFYSA-N 1 1 268.445 3.217 20 30 CGEDMO C=CCC(CC=C)C(=O)N(C)C[C@@H]1CC[N@@H+]1C[C@H](C)CC ZINC001234509799 818870037 /nfs/dbraw/zinc/87/00/37/818870037.db2.gz PXCBOTSPWIZMRH-WBVHZDCISA-N 1 1 292.467 3.334 20 30 CGEDMO C=CCC(CC=C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC(C)C ZINC001234509808 818870451 /nfs/dbraw/zinc/87/04/51/818870451.db2.gz QBNBYZJHUJTSIT-KRWDZBQOSA-N 1 1 292.467 3.334 20 30 CGEDMO C=CCC(CC=C)C(=O)N(C)C[C@H]1CC[N@@H+]1CC[C@@H](C)F ZINC001234518946 818872443 /nfs/dbraw/zinc/87/24/43/818872443.db2.gz YMLINLYCPXNYKV-GDBMZVCRSA-N 1 1 296.430 3.036 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@]1(C)CC=CCC1 ZINC001234525356 818873134 /nfs/dbraw/zinc/87/31/34/818873134.db2.gz BGPHUZOXXJPMSL-SJLPKXTDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCCC ZINC001234555616 818881242 /nfs/dbraw/zinc/88/12/42/818881242.db2.gz XLQCNTIPSAUQGU-ZDUSSCGKSA-N 1 1 286.847 3.098 20 30 CGEDMO CC[N@H+]1CC[C@H](Oc2cccc(C#N)c2C(C)C)C1 ZINC001234854687 818935701 /nfs/dbraw/zinc/93/57/01/818935701.db2.gz QJCBISDQOZXWSY-AWEZNQCLSA-N 1 1 258.365 3.155 20 30 CGEDMO C=C(C)[C@@H]1CC=C(CN2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC001234994745 818973134 /nfs/dbraw/zinc/97/31/34/818973134.db2.gz SSJHRXVCUFIERJ-QZTJIDSGSA-N 1 1 274.452 3.365 20 30 CGEDMO CCCCCCCCCCN1CCC2(C[NH2+]C2)C1 ZINC001235024012 818980380 /nfs/dbraw/zinc/98/03/80/818980380.db2.gz JJTWWHUXOSDYDZ-UHFFFAOYSA-N 1 1 252.446 3.422 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2c[nH]c3cnc(Cl)cc23)C1 ZINC001235519421 819114352 /nfs/dbraw/zinc/11/43/52/819114352.db2.gz FRKQZUROTUYQBC-NSHDSACASA-N 1 1 288.782 3.342 20 30 CGEDMO N#CCc1ccccc1C[N@H+]1CC[C@H](COCC2CC2)C1 ZINC001235526567 819115829 /nfs/dbraw/zinc/11/58/29/819115829.db2.gz DPDSZBJXWJHEMS-INIZCTEOSA-N 1 1 284.403 3.001 20 30 CGEDMO CCCCCCC[N@H+](CCCOC)[C@@H]1CCCNC1 ZINC001235795079 819168694 /nfs/dbraw/zinc/16/86/94/819168694.db2.gz IGSPPKJPBWYVRV-MRXNPFEDSA-N 1 1 270.461 3.047 20 30 CGEDMO CCCCCCC[N@@H+](CCCOC)[C@@H]1CCCNC1 ZINC001235795079 819168696 /nfs/dbraw/zinc/16/86/96/819168696.db2.gz IGSPPKJPBWYVRV-MRXNPFEDSA-N 1 1 270.461 3.047 20 30 CGEDMO C=CCCCCCN1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001236012468 819275330 /nfs/dbraw/zinc/27/53/30/819275330.db2.gz MAZONOJEYNQJEI-MOPGFXCFSA-N 1 1 284.447 3.206 20 30 CGEDMO CCc1cc(C#N)ccc1CN(C[C@H]1CCC[NH2+]C1)C1CC1 ZINC001236605334 819550900 /nfs/dbraw/zinc/55/09/00/819550900.db2.gz MEFYDONOPMFRRT-INIZCTEOSA-N 1 1 297.446 3.085 20 30 CGEDMO C[C@@H]1CCC[N@H+]1Cc1ccc(C#N)c(Br)c1 ZINC001236855114 819623529 /nfs/dbraw/zinc/62/35/29/819623529.db2.gz LBQSTUIKBNFFJM-SNVBAGLBSA-N 1 1 279.181 3.305 20 30 CGEDMO CCCCCCC[N@@H+](CC)Cc1cc(C(=O)OCC)n[nH]1 ZINC001237036196 819648528 /nfs/dbraw/zinc/64/85/28/819648528.db2.gz SQTVGVUXCOAGDN-UHFFFAOYSA-N 1 1 295.427 3.379 20 30 CGEDMO C=CCCCCCCCCC[N@H+]1CC[C@@]2(C1)CNCCO2 ZINC001237142611 819676711 /nfs/dbraw/zinc/67/67/11/819676711.db2.gz OMKDMDGWYJZACG-SFHVURJKSA-N 1 1 294.483 3.358 20 30 CGEDMO Cc1c(F)c(F)ccc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001237163467 819685836 /nfs/dbraw/zinc/68/58/36/819685836.db2.gz RMINDEBBUBVHIM-LBPRGKRZSA-N 1 1 264.319 3.399 20 30 CGEDMO Cc1c(F)c(F)ccc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001237163467 819685840 /nfs/dbraw/zinc/68/58/40/819685840.db2.gz RMINDEBBUBVHIM-LBPRGKRZSA-N 1 1 264.319 3.399 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1cnc(Cl)c(F)c1 ZINC001237402542 819745350 /nfs/dbraw/zinc/74/53/50/819745350.db2.gz PRRNGXUJWXBHLV-UHFFFAOYSA-N 1 1 289.741 3.378 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cnc(Cl)c(F)c1 ZINC001237402542 819745354 /nfs/dbraw/zinc/74/53/54/819745354.db2.gz PRRNGXUJWXBHLV-UHFFFAOYSA-N 1 1 289.741 3.378 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccccc1NC(C)=O ZINC001237418097 819748974 /nfs/dbraw/zinc/74/89/74/819748974.db2.gz NTRSCQJPJDKTIB-UHFFFAOYSA-N 1 1 260.381 3.433 20 30 CGEDMO C=CC[N@@H+](Cc1ccnc(C#N)c1)C1CCCCC1 ZINC001237462765 819757318 /nfs/dbraw/zinc/75/73/18/819757318.db2.gz JSLWRODVLIIHIT-UHFFFAOYSA-N 1 1 255.365 3.274 20 30 CGEDMO CC[C@H]1CCC[N@H+]1Cc1cn(C)c2ccc(C#N)cc12 ZINC001237471324 819759454 /nfs/dbraw/zinc/75/94/54/819759454.db2.gz SOIOXMLIBOLOSE-HNNXBMFYSA-N 1 1 267.376 3.424 20 30 CGEDMO CC[N@@H+](Cc1cn(C)c2ccc(C#N)cc12)C1CC1 ZINC001237467137 819759523 /nfs/dbraw/zinc/75/95/23/819759523.db2.gz SIKDQXWWKXXCIL-UHFFFAOYSA-N 1 1 253.349 3.034 20 30 CGEDMO N#C[C@H]1CC[N@@H+](Cc2cccc3c(F)cccc23)C1 ZINC001237515235 819768889 /nfs/dbraw/zinc/76/88/89/819768889.db2.gz MOTYDUKSQVEDIT-GFCCVEGCSA-N 1 1 254.308 3.324 20 30 CGEDMO N#C[C@H]1CC[N@H+](Cc2cccc3c(F)cccc23)C1 ZINC001237515235 819768893 /nfs/dbraw/zinc/76/88/93/819768893.db2.gz MOTYDUKSQVEDIT-GFCCVEGCSA-N 1 1 254.308 3.324 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CC[C@H](c3cccnc3)C2)c(F)cc1F ZINC001237534224 819774094 /nfs/dbraw/zinc/77/40/94/819774094.db2.gz OEQRATGRRKFIKI-ZDUSSCGKSA-N 1 1 299.324 3.221 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@H](c3cccnc3)C2)c(F)cc1F ZINC001237534224 819774097 /nfs/dbraw/zinc/77/40/97/819774097.db2.gz OEQRATGRRKFIKI-ZDUSSCGKSA-N 1 1 299.324 3.221 20 30 CGEDMO C[N@H+](Cc1ccccc1)Cc1cc(C#N)c(F)cc1F ZINC001237531801 819774329 /nfs/dbraw/zinc/77/43/29/819774329.db2.gz KPQFRZPTOXSGBN-UHFFFAOYSA-N 1 1 272.298 3.468 20 30 CGEDMO C[N@@H+](Cc1ccccc1)Cc1cc(C#N)c(F)cc1F ZINC001237531801 819774333 /nfs/dbraw/zinc/77/43/33/819774333.db2.gz KPQFRZPTOXSGBN-UHFFFAOYSA-N 1 1 272.298 3.468 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1cc(Cl)cc(C)c1O ZINC001237686297 819805406 /nfs/dbraw/zinc/80/54/06/819805406.db2.gz HNMMMNOKGVEDQZ-UHFFFAOYSA-N 1 1 266.772 3.480 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1cc(Cl)cc(C)c1O ZINC001237686297 819805412 /nfs/dbraw/zinc/80/54/12/819805412.db2.gz HNMMMNOKGVEDQZ-UHFFFAOYSA-N 1 1 266.772 3.480 20 30 CGEDMO C=CCN1CC[NH+](Cc2ccc(OC(C)C)c(C)c2)CC1 ZINC001237710795 819815622 /nfs/dbraw/zinc/81/56/22/819815622.db2.gz FKMLTPBULJCZMM-UHFFFAOYSA-N 1 1 288.435 3.086 20 30 CGEDMO CC(C)C1=[NH+]CCc2ccc(CN3CCC(C#N)CC3)cc21 ZINC001237880496 819870267 /nfs/dbraw/zinc/87/02/67/819870267.db2.gz GPRHDBKRZJRZFS-UHFFFAOYSA-N 1 1 295.430 3.423 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c(Cl)c1 ZINC001238080681 819926399 /nfs/dbraw/zinc/92/63/99/819926399.db2.gz UGYHXBYQWFJZOI-GDBMZVCRSA-N 1 1 290.794 3.213 20 30 CGEDMO C[C@]1(CO)CCC[N@@H+](Cc2ccc(C#N)cc2Cl)CC1 ZINC001238080121 819927283 /nfs/dbraw/zinc/92/72/83/819927283.db2.gz LOPVARYMUJXHSH-INIZCTEOSA-N 1 1 292.810 3.196 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(N(C)C(=O)OC(C)(C)C)cc1 ZINC001238129417 819940210 /nfs/dbraw/zinc/94/02/10/819940210.db2.gz JDYUYDKPYYPNBS-UHFFFAOYSA-N 1 1 288.391 3.123 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2ccc(Cl)c(C#N)c2)[C@@H](C)C1 ZINC001238195770 819952727 /nfs/dbraw/zinc/95/27/27/819952727.db2.gz LGLPPMQXBVBFJT-FZMZJTMJSA-N 1 1 278.783 3.211 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@H](C)[C@@H](C)C2)ccc1C#N ZINC001238410858 819987815 /nfs/dbraw/zinc/98/78/15/819987815.db2.gz VDAWCFGBNLXGEN-KBPBESRZSA-N 1 1 272.392 3.435 20 30 CGEDMO CCc1cc(C[N@H+]2CC[C@](C)(CF)C2)ccc1C#N ZINC001238767359 820113412 /nfs/dbraw/zinc/11/34/12/820113412.db2.gz UKFRGLKCQWCNMT-MRXNPFEDSA-N 1 1 260.356 3.302 20 30 CGEDMO CCO[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(CC)c2)C1 ZINC001238774323 820114807 /nfs/dbraw/zinc/11/48/07/820114807.db2.gz IBOHJGAHRVBRBJ-KRWDZBQOSA-N 1 1 272.392 3.122 20 30 CGEDMO CCc1cc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)ccc1C#N ZINC001238779020 820116571 /nfs/dbraw/zinc/11/65/71/820116571.db2.gz SLKVFERRYXOTLU-OAHLLOKOSA-N 1 1 276.330 3.352 20 30 CGEDMO CCc1cc(C[N@H+]2CCC[C@H](CC#N)C2)ccc1C#N ZINC001238779352 820116955 /nfs/dbraw/zinc/11/69/55/820116955.db2.gz VTTMBBLTNGNXMN-CQSZACIVSA-N 1 1 267.376 3.246 20 30 CGEDMO N#Cc1ccc(-c2cccc(C[NH+]3CCOCC3)c2)cc1F ZINC001240154682 820863276 /nfs/dbraw/zinc/86/32/76/820863276.db2.gz CQUMEBDTOGOCFX-UHFFFAOYSA-N 1 1 296.345 3.197 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2ccn(C)c(=O)c2)cc1 ZINC001240998610 821477420 /nfs/dbraw/zinc/47/74/20/821477420.db2.gz ZNXIPRVKHJEFRW-SFHVURJKSA-N 1 1 294.398 3.375 20 30 CGEDMO C[N@H+]1CCC=C(c2ncccc2C#C[Si](C)(C)C)C1 ZINC001241567298 821951874 /nfs/dbraw/zinc/95/18/74/821951874.db2.gz UTNKSBPUQMFOTQ-UHFFFAOYSA-N 1 1 270.452 3.029 20 30 CGEDMO C[N@H+]1CCC=C(c2ccc(C(F)(F)F)cc2CC#N)C1 ZINC001241570798 821956077 /nfs/dbraw/zinc/95/60/77/821956077.db2.gz MZGXDBZNTRDPHY-UHFFFAOYSA-N 1 1 280.293 3.490 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2ccnnc2)cc1 ZINC001242068662 822325125 /nfs/dbraw/zinc/32/51/25/822325125.db2.gz TXPCVFQOQFFOPQ-QGZVFWFLSA-N 1 1 265.360 3.467 20 30 CGEDMO C#Cc1ccc(-c2ccc(CN3CCC([NH3+])CC3)cc2)cc1 ZINC001242295576 822941866 /nfs/dbraw/zinc/94/18/66/822941866.db2.gz CKVKIWCOLQYTOU-UHFFFAOYSA-N 1 1 290.410 3.258 20 30 CGEDMO C[N@H+]1CC[C@@H](c2ccc(-c3cccnc3C#N)cc2)C1 ZINC001242314169 822948778 /nfs/dbraw/zinc/94/87/78/822948778.db2.gz SNUAIAFAJOFHKK-OAHLLOKOSA-N 1 1 263.344 3.039 20 30 CGEDMO N#CC1(CC(=O)O[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCCC1 ZINC001343478064 936503022 /nfs/dbraw/zinc/50/30/22/936503022.db2.gz NEDHOCVKLKGIJM-CABCVRRESA-N 1 1 290.407 3.021 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001346822790 936862930 /nfs/dbraw/zinc/86/29/30/936862930.db2.gz JCYUPBKTYPQNNL-DLBZAZTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1F)CC1CCC(O)CC1 ZINC001347760034 936894834 /nfs/dbraw/zinc/89/48/34/936894834.db2.gz SENCVTBFVQYAKJ-UHFFFAOYSA-N 1 1 277.383 3.365 20 30 CGEDMO CCCCCCCC(=O)N[C@@H]1C[N@@H+](CC)CC1(C)C ZINC001472057915 937079518 /nfs/dbraw/zinc/07/95/18/937079518.db2.gz SQFBEIOZZRABAF-CQSZACIVSA-N 1 1 268.445 3.193 20 30 CGEDMO C=C(C)CC[N@H+](C)CCC1CCN(C(=O)[C@H]2C[C@@H]2C)CC1 ZINC001496504764 926697374 /nfs/dbraw/zinc/69/73/74/926697374.db2.gz WGCDPYSSIGJOAS-RDJZCZTQSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC1(C(=O)NCC[N@H+](C)CCC2CCCC2)CCC1 ZINC001480909782 926773310 /nfs/dbraw/zinc/77/33/10/926773310.db2.gz IWZVVOMNAOGQAV-UHFFFAOYSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@H]1CC[N@H+](C[C@@H](C)CC)C1 ZINC001481112611 926887835 /nfs/dbraw/zinc/88/78/35/926887835.db2.gz LWZCMGQKAHWQDI-LSDHHAIUSA-N 1 1 280.456 3.073 20 30 CGEDMO CC[C@@]1(C(=O)OC(C)(C)C)CCC[N@H+](CC2(C#N)CC2)C1 ZINC001354967812 937118067 /nfs/dbraw/zinc/11/80/67/937118067.db2.gz MEYSXJKGSSEVBL-QGZVFWFLSA-N 1 1 292.423 3.124 20 30 CGEDMO CC[C@@]1(C(=O)OC(C)(C)C)CCC[N@@H+](CC2(C#N)CC2)C1 ZINC001354967812 937118068 /nfs/dbraw/zinc/11/80/68/937118068.db2.gz MEYSXJKGSSEVBL-QGZVFWFLSA-N 1 1 292.423 3.124 20 30 CGEDMO C=CCCC(=O)NCC[N@H+](CC1CCC(C)CC1)C1CC1 ZINC001481160842 926899564 /nfs/dbraw/zinc/89/95/64/926899564.db2.gz RMLIPQJYYNEVRT-UHFFFAOYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)C2(CC)CCC2)C1 ZINC001481445600 926985964 /nfs/dbraw/zinc/98/59/64/926985964.db2.gz IDKJJIBSDWHXAO-AWEZNQCLSA-N 1 1 298.858 3.147 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC001481474779 926995313 /nfs/dbraw/zinc/99/53/13/926995313.db2.gz CFMFDAMTUIOQQC-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)/C=C/C(C)(C)C)C1 ZINC001481482509 926999732 /nfs/dbraw/zinc/99/97/32/926999732.db2.gz QPYITSZJIGACLN-SOGBHIHOSA-N 1 1 292.467 3.335 20 30 CGEDMO C=CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[C@H]2CC)CC1 ZINC001481518269 927012293 /nfs/dbraw/zinc/01/22/93/927012293.db2.gz OLCCLGXHJICTQG-IAGOWNOFSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1CCC[N@@H+](C[C@H](F)CC)C1 ZINC001481525679 927014353 /nfs/dbraw/zinc/01/43/53/927014353.db2.gz CHHDBVIMUXJNEO-HZPDHXFCSA-N 1 1 296.430 3.084 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1CCC[N@H+](C[C@H](F)CC)C1 ZINC001481525679 927014371 /nfs/dbraw/zinc/01/43/71/927014371.db2.gz CHHDBVIMUXJNEO-HZPDHXFCSA-N 1 1 296.430 3.084 20 30 CGEDMO C=CCCC(=O)N[C@H]1CCC[N@H+](CC/C=C\CCC)C1 ZINC001481532448 927016597 /nfs/dbraw/zinc/01/65/97/927016597.db2.gz KYGHBUOSFXNNOI-PTZVLDCSSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)CC2(C)CC2)C1 ZINC001481536074 927018517 /nfs/dbraw/zinc/01/85/17/927018517.db2.gz DBKNXMPFRIEMOJ-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@](C)(F)CCCC)C1 ZINC001481535622 927020335 /nfs/dbraw/zinc/02/03/35/927020335.db2.gz FBGSOWRHMGQLFE-DOTOQJQBSA-N 1 1 298.446 3.452 20 30 CGEDMO C=CCC[NH+]1CC(NC(=O)[C@H](CCC)CC2CCCC2)C1 ZINC001481587374 927034924 /nfs/dbraw/zinc/03/49/24/927034924.db2.gz QCBLNMRRUCKMHU-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@H](C)CC ZINC001481679804 927053077 /nfs/dbraw/zinc/05/30/77/927053077.db2.gz MXIKUQKGOHJQJH-PMPSAXMXSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)CC2CCCCC2)C1 ZINC001481693850 927061560 /nfs/dbraw/zinc/06/15/60/927061560.db2.gz VWKYDGSICLKBJG-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@@]12C[C@@H]1CCCC2 ZINC001496780599 927362984 /nfs/dbraw/zinc/36/29/84/927362984.db2.gz CUDUQEWJENNYAG-BQFCYCMXSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CCC(=O)N[C@H](C)C[N@@H+](C)Cc1cccc(C)c1 ZINC001483342786 927485991 /nfs/dbraw/zinc/48/59/91/927485991.db2.gz OAECHFTZWIABGF-MRXNPFEDSA-N 1 1 288.435 3.288 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H](C)C[N@H+](C)C[C@H](C)CC ZINC001483341448 927486324 /nfs/dbraw/zinc/48/63/24/927486324.db2.gz CRZMFNAZKGSANU-KGLIPLIRSA-N 1 1 268.445 3.071 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)c1cscc1Cl ZINC001483351333 927488212 /nfs/dbraw/zinc/48/82/12/927488212.db2.gz LDYALQPLPRNKAQ-SNVBAGLBSA-N 1 1 286.828 3.028 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)CC ZINC001483377829 927494012 /nfs/dbraw/zinc/49/40/12/927494012.db2.gz GZGYZXHCOWCOQE-KGLIPLIRSA-N 1 1 268.445 3.214 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)c1cccc(F)c1Cl ZINC001483391108 927496548 /nfs/dbraw/zinc/49/65/48/927496548.db2.gz ZPNKKZDJBUCSMX-LLVKDONJSA-N 1 1 298.789 3.105 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)c1ccccc1F ZINC001483635793 927554573 /nfs/dbraw/zinc/55/45/73/927554573.db2.gz NJFMDOCHGZJZJO-KGLIPLIRSA-N 1 1 290.382 3.043 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)c1ccccc1F ZINC001483635793 927554583 /nfs/dbraw/zinc/55/45/83/927554583.db2.gz NJFMDOCHGZJZJO-KGLIPLIRSA-N 1 1 290.382 3.043 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)CC1=CCCCC1 ZINC001483639361 927558728 /nfs/dbraw/zinc/55/87/28/927558728.db2.gz IBOFRWSIXAJYOP-WBVHZDCISA-N 1 1 290.451 3.422 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@@H]1CC[N@H+]1CC1=CCCCC1 ZINC001483673113 927564953 /nfs/dbraw/zinc/56/49/53/927564953.db2.gz MXOLEBKZCBBZHS-WBVHZDCISA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)c2ccccc2)C1 ZINC001484026337 927663891 /nfs/dbraw/zinc/66/38/91/927663891.db2.gz DHNCSPUHJCXFRO-QAPCUYQASA-N 1 1 286.419 3.236 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)C2CCCCC2)C1 ZINC001484026853 927665367 /nfs/dbraw/zinc/66/53/67/927665367.db2.gz HGLVEBYRCGPYLS-QGZVFWFLSA-N 1 1 278.440 3.114 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](CCCC)C(C)C)C1 ZINC001484075181 927671713 /nfs/dbraw/zinc/67/17/13/927671713.db2.gz VYAGCTLWCZDVCT-FUHWJXTLSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)C2=CCCC2)C1 ZINC001484156104 927680782 /nfs/dbraw/zinc/68/07/82/927680782.db2.gz AEYVCNLGXVDEDV-SFHVURJKSA-N 1 1 290.451 3.281 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1CCC[N@H+](CCC(C)(C)C)CC1 ZINC001484713765 927739017 /nfs/dbraw/zinc/73/90/17/927739017.db2.gz JWPVJOGXVKPZFU-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)c1ccoc1CCC ZINC001484765911 927753992 /nfs/dbraw/zinc/75/39/92/927753992.db2.gz XCHPSTNAEFJYFE-UHFFFAOYSA-N 1 1 292.423 3.202 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+](CC)C2)C1 ZINC001484770567 927754079 /nfs/dbraw/zinc/75/40/79/927754079.db2.gz GWJRDWYCXCKZMK-DLBZAZTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC1(C(=O)N(C)CCC[N@@H+](C)C/C=C\Cl)CCC1 ZINC001484757988 927754943 /nfs/dbraw/zinc/75/49/43/927754943.db2.gz YYLLGQSSNLCXBC-WDZFZDKYSA-N 1 1 298.858 3.266 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@H+](C(C)C)C1 ZINC001484772633 927755950 /nfs/dbraw/zinc/75/59/50/927755950.db2.gz YJOKSUXOLIKYEP-DLBZAZTESA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)CCCCCC)C(C)(C)C1 ZINC001484940576 927774409 /nfs/dbraw/zinc/77/44/09/927774409.db2.gz FZWQEBLTUHISCN-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](CC)SC ZINC001485058095 927799264 /nfs/dbraw/zinc/79/92/64/927799264.db2.gz YHIZSZNTAGQIDC-CABCVRRESA-N 1 1 298.496 3.017 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC2(CC2)C1 ZINC001485057791 927800906 /nfs/dbraw/zinc/80/09/06/927800906.db2.gz ZWQLDQZBVOSSHZ-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO CC#CCCCC(=O)NC[C@H](C)[N@@H+](C)CCC(C)(C)C ZINC001485339347 927851467 /nfs/dbraw/zinc/85/14/67/927851467.db2.gz ARIFBQPPMJZGBT-HNNXBMFYSA-N 1 1 280.456 3.053 20 30 CGEDMO C=CC[C@@H]1[N@@H+](CC2(CC(=O)OC)CC2)CCCC1(C)C ZINC001473432169 937199245 /nfs/dbraw/zinc/19/92/45/937199245.db2.gz KGVSFZMJBRHHOG-AWEZNQCLSA-N 1 1 279.424 3.396 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)Cc1ccc(Cl)c(F)c1 ZINC001473431415 937199690 /nfs/dbraw/zinc/19/96/90/937199690.db2.gz DCZAGYHUAMJETF-UHFFFAOYSA-N 1 1 284.806 3.419 20 30 CGEDMO C=CCN(C)CC[N@@H+](CC)Cc1ccc(Cl)c(F)c1 ZINC001473431415 937199692 /nfs/dbraw/zinc/19/96/92/937199692.db2.gz DCZAGYHUAMJETF-UHFFFAOYSA-N 1 1 284.806 3.419 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)Cc1ccc(Cl)c(F)c1 ZINC001473431415 937199694 /nfs/dbraw/zinc/19/96/94/937199694.db2.gz DCZAGYHUAMJETF-UHFFFAOYSA-N 1 1 284.806 3.419 20 30 CGEDMO C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)CCCF ZINC001485479743 927879317 /nfs/dbraw/zinc/87/93/17/927879317.db2.gz GLYRCMSBERORKI-OAHLLOKOSA-N 1 1 284.419 3.063 20 30 CGEDMO C=C(C)CC[N@H+](C)C1CCN(C(=O)C2CCCCC2)CC1 ZINC001485752284 927916286 /nfs/dbraw/zinc/91/62/86/927916286.db2.gz RFKOKIODFPAXKP-UHFFFAOYSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CCC[N@@H+](CC2CCC2)[C@@H]1C ZINC001486176722 927996350 /nfs/dbraw/zinc/99/63/50/927996350.db2.gz LBFONMCHXMLPAH-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C2(C3CC3)CC2)[C@@H]1C ZINC001486176900 927996765 /nfs/dbraw/zinc/99/67/65/927996765.db2.gz MADMKBOUJQXXHG-HOCLYGCPSA-N 1 1 290.451 3.112 20 30 CGEDMO C#CCCCCCC(=O)N[C@@H]1CCC[N@H+](CC(C)C)[C@@H]1C ZINC001486182187 927997028 /nfs/dbraw/zinc/99/70/28/927997028.db2.gz XMZWDAJACGIMDY-IAGOWNOFSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)CCN(C(=O)[C@@H]1C[C@H]1C)C(C)C ZINC001486373097 928009443 /nfs/dbraw/zinc/00/94/43/928009443.db2.gz OZXULPAYTLJSFS-OWCLPIDISA-N 1 1 280.456 3.166 20 30 CGEDMO C=CCC[C@@H]1CCC[N@H+]1Cc1noc(CCCC)n1 ZINC001560199658 937211787 /nfs/dbraw/zinc/21/17/87/937211787.db2.gz AAGPDKDVBOHWHV-CYBMUJFWSA-N 1 1 263.385 3.343 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1noc(CCCC)n1 ZINC001560199658 937211789 /nfs/dbraw/zinc/21/17/89/937211789.db2.gz AAGPDKDVBOHWHV-CYBMUJFWSA-N 1 1 263.385 3.343 20 30 CGEDMO C=CCCC[N@H+](CC)CCNC(=O)[C@@H]1CCCC[C@@H]1C ZINC001493012117 928087132 /nfs/dbraw/zinc/08/71/32/928087132.db2.gz NXLDUNUOYCNTRW-JKSUJKDBSA-N 1 1 280.456 3.217 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)[C@@H](COC)Cc2ccccc2)cc1 ZINC000809652625 928141371 /nfs/dbraw/zinc/14/13/71/928141371.db2.gz IZZUGBSQEHYQCE-HXUWFJFHSA-N 1 1 293.410 3.357 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1cccc(O)c1 ZINC001171204463 928200299 /nfs/dbraw/zinc/20/02/99/928200299.db2.gz YDQPJPNNSUVYKK-CQSZACIVSA-N 1 1 280.371 3.327 20 30 CGEDMO CC(C)N1CC[C@H]([NH2+]C2CCC(CC#N)CC2)[C@H](C)C1 ZINC001173332623 928229011 /nfs/dbraw/zinc/22/90/11/928229011.db2.gz PPXIASBUKDBQNB-VXLLPVPCSA-N 1 1 277.456 3.167 20 30 CGEDMO CC[N@@H+](Cc1ccncc1)Cc1cc(F)cc(C#N)c1 ZINC000163572540 928265541 /nfs/dbraw/zinc/26/55/41/928265541.db2.gz HOUMYWYPQHULGS-UHFFFAOYSA-N 1 1 269.323 3.114 20 30 CGEDMO C#CC[N@H+](CCOc1ccc(Cl)c(F)c1)C(C)C ZINC001198026651 928269665 /nfs/dbraw/zinc/26/96/65/928269665.db2.gz HVJOTRNCCOXBGK-UHFFFAOYSA-N 1 1 269.747 3.202 20 30 CGEDMO C#CC[N@@H+](C[C@H](O)c1cccc2ccccc21)C(C)C ZINC001198026235 928270138 /nfs/dbraw/zinc/27/01/38/928270138.db2.gz BMYAKRZFCDVLDX-SFHVURJKSA-N 1 1 267.372 3.217 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC1(C)C ZINC001488649180 928287416 /nfs/dbraw/zinc/28/74/16/928287416.db2.gz XQDPXVDMOPHVRT-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC1(C)C ZINC001488649176 928287503 /nfs/dbraw/zinc/28/75/03/928287503.db2.gz XQDPXVDMOPHVRT-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)C1CCCC1 ZINC001488675094 928289315 /nfs/dbraw/zinc/28/93/15/928289315.db2.gz FEPDGSPPXOGOPZ-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO CC[N@@H+](Cc1cc2ccc(F)cc2[nH]c1=O)C[C@H](C)C#N ZINC001364686141 937234553 /nfs/dbraw/zinc/23/45/53/937234553.db2.gz ZVQBVSFJWREUJH-LLVKDONJSA-N 1 1 287.338 3.061 20 30 CGEDMO CC[N@H+](Cc1cc2ccc(F)cc2[nH]c1=O)C[C@H](C)C#N ZINC001364686141 937234555 /nfs/dbraw/zinc/23/45/55/937234555.db2.gz ZVQBVSFJWREUJH-LLVKDONJSA-N 1 1 287.338 3.061 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCC2CC2)[C@H]1CC ZINC001489108792 928314946 /nfs/dbraw/zinc/31/49/46/928314946.db2.gz UGMZDFVFZAVBTL-JKSUJKDBSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)CC[C@@H](C)CC)C1 ZINC001480739131 937236497 /nfs/dbraw/zinc/23/64/97/937236497.db2.gz NKZOZAKPHMQWKW-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@@H+](CC3CC3)[C@@H]2C)CCCC1 ZINC001489318428 928326253 /nfs/dbraw/zinc/32/62/53/928326253.db2.gz WIKJHVMJEQQCLK-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@H+](C)CCCNC(=O)[C@@H](C)CCC(C)(C)C ZINC001490270272 928340262 /nfs/dbraw/zinc/34/02/62/928340262.db2.gz LBWJCUHIZGPGBJ-HNNXBMFYSA-N 1 1 282.472 3.463 20 30 CGEDMO C=C(C)C[N@H+](C)CCCNC(=O)c1sccc1C(C)C ZINC001490282229 928340896 /nfs/dbraw/zinc/34/08/96/928340896.db2.gz TZYZAXILGPTLLI-UHFFFAOYSA-N 1 1 294.464 3.499 20 30 CGEDMO C=CC[N@@H+](CC)CCCNC(=O)[C@]1(C)CC=C(C)CC1 ZINC001490362277 928356005 /nfs/dbraw/zinc/35/60/05/928356005.db2.gz TTWOITOCAFAFLF-QGZVFWFLSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001490553249 928372572 /nfs/dbraw/zinc/37/25/72/928372572.db2.gz POLVJOUTZOIXSF-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C#Cc1ccc(NC(=O)[C@H]2CCC[N@H+]2CCC)c(Cl)c1 ZINC000885673092 928440950 /nfs/dbraw/zinc/44/09/50/928440950.db2.gz AEHNDSBAUGJEDX-OAHLLOKOSA-N 1 1 290.794 3.134 20 30 CGEDMO C#Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]2CCC)c(Cl)c1 ZINC000885673092 928440959 /nfs/dbraw/zinc/44/09/59/928440959.db2.gz AEHNDSBAUGJEDX-OAHLLOKOSA-N 1 1 290.794 3.134 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1OCC(F)(F)F)CC1CC1 ZINC001319667449 928480733 /nfs/dbraw/zinc/48/07/33/928480733.db2.gz XLFZHDCIWNKAHI-UHFFFAOYSA-N 1 1 297.320 3.473 20 30 CGEDMO C[C@H](CC#N)[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC001461724708 928760738 /nfs/dbraw/zinc/76/07/38/928760738.db2.gz QICVDJJUDCVWCQ-MRVPVSSYSA-N 1 1 260.234 3.236 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](CCCc2ccc(F)c(F)c2)C1 ZINC001462458787 928793556 /nfs/dbraw/zinc/79/35/56/928793556.db2.gz VJAJNSYVOKOEQH-OAHLLOKOSA-N 1 1 264.319 3.133 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCCC[C@H]1CC1CCC1 ZINC001307949930 928809526 /nfs/dbraw/zinc/80/95/26/928809526.db2.gz OILSKQDGNVSNBK-JKSUJKDBSA-N 1 1 251.414 3.358 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)C[C@@H](C)C2CC2)C1 ZINC001491133523 928836952 /nfs/dbraw/zinc/83/69/52/928836952.db2.gz MRNXFRWNSIYBGW-CVEARBPZSA-N 1 1 292.467 3.217 20 30 CGEDMO CCCCCCCC[C@H](C)C(=O)NC[C@@H]1CC[N@H+]1C ZINC001439522500 937318560 /nfs/dbraw/zinc/31/85/60/937318560.db2.gz CJHZJTCLZAWMFW-GJZGRUSLSA-N 1 1 268.445 3.193 20 30 CGEDMO Cc1cc(NCCCC[N@@H+]2CCC[C@@H](C)C2)ncc1C#N ZINC001458113643 937451503 /nfs/dbraw/zinc/45/15/03/937451503.db2.gz NSGMVPKGSIBGCS-CQSZACIVSA-N 1 1 286.423 3.186 20 30 CGEDMO C#CC[N@H+](CC#CC)C/C=C/c1ccc(Cl)cc1 ZINC001459575630 937492454 /nfs/dbraw/zinc/49/24/54/937492454.db2.gz KSPJCWNRMDJHJZ-VOTSOKGWSA-N 1 1 257.764 3.312 20 30 CGEDMO C#CC[N@@H+](CC#CC)C/C=C/c1ccc(Cl)cc1 ZINC001459575630 937492455 /nfs/dbraw/zinc/49/24/55/937492455.db2.gz KSPJCWNRMDJHJZ-VOTSOKGWSA-N 1 1 257.764 3.312 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC001459623313 937494244 /nfs/dbraw/zinc/49/42/44/937494244.db2.gz XKPRRAXPTVECRT-DOTOQJQBSA-N 1 1 258.409 3.157 20 30 CGEDMO Cc1ncsc1CCC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC001459807514 937501974 /nfs/dbraw/zinc/50/19/74/937501974.db2.gz KEEFHGNZNOOZOV-AWEZNQCLSA-N 1 1 263.410 3.010 20 30 CGEDMO Cc1ncsc1CCC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC001459807514 937501975 /nfs/dbraw/zinc/50/19/75/937501975.db2.gz KEEFHGNZNOOZOV-AWEZNQCLSA-N 1 1 263.410 3.010 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](CC[C@H]2CCC[C@@H](C)C2)C1 ZINC001459815199 937502000 /nfs/dbraw/zinc/50/20/00/937502000.db2.gz BOQZVYQOBLUPDY-BZUAXINKSA-N 1 1 251.414 3.480 20 30 CGEDMO CC[C@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)[C@@H]1C ZINC001459982859 937509347 /nfs/dbraw/zinc/50/93/47/937509347.db2.gz JFFWBLDMEFAXJJ-CABCVRRESA-N 1 1 264.413 3.207 20 30 CGEDMO CC[C@H]1C[N@@H+](CC)CCN1Cc1ccc(C#N)cc1Cl ZINC001460136517 937517522 /nfs/dbraw/zinc/51/75/22/937517522.db2.gz CNDXAMQTBMELKV-HNNXBMFYSA-N 1 1 291.826 3.128 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1CCCN1CCCCC1 ZINC001460886795 937549085 /nfs/dbraw/zinc/54/90/85/937549085.db2.gz QDLAFMQZXNGTGQ-MRXNPFEDSA-N 1 1 250.430 3.293 20 30 CGEDMO C=CCC[C@@H]1CCC[N@H+]1CCCN1CCCCC1 ZINC001460886795 937549089 /nfs/dbraw/zinc/54/90/89/937549089.db2.gz QDLAFMQZXNGTGQ-MRXNPFEDSA-N 1 1 250.430 3.293 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1CCC ZINC001158450800 931980814 /nfs/dbraw/zinc/98/08/14/931980814.db2.gz YOPYJFIMWKRNDD-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCO[C@@H](c2ccc(OC)c(OC)c2)C1 ZINC001460956982 937556121 /nfs/dbraw/zinc/55/61/21/937556121.db2.gz CBOMCOFHIVNSKF-CXAGYDPISA-N 1 1 291.391 3.042 20 30 CGEDMO C=CC[C@@H](C)[N@@H+]1CCO[C@@H](c2ccc(OC)c(OC)c2)C1 ZINC001460956982 937556123 /nfs/dbraw/zinc/55/61/23/937556123.db2.gz CBOMCOFHIVNSKF-CXAGYDPISA-N 1 1 291.391 3.042 20 30 CGEDMO C=CCC[C@H]1CCCN1C(=O)N[C@H](C)C[N@H+](CC)CCC ZINC001229352741 932138555 /nfs/dbraw/zinc/13/85/55/932138555.db2.gz XVCZPVUYFWARPO-CVEARBPZSA-N 1 1 295.471 3.247 20 30 CGEDMO C=CCOc1ccccc1OC1CC[NH+](CCF)CC1 ZINC001229613945 932179348 /nfs/dbraw/zinc/17/93/48/932179348.db2.gz KOCMDYVAPDEDLN-UHFFFAOYSA-N 1 1 279.355 3.064 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cccc2c1OC(F)(F)O2 ZINC001462007453 937612715 /nfs/dbraw/zinc/61/27/15/937612715.db2.gz LBZXGWJBNLDWOT-UHFFFAOYSA-N 1 1 267.275 3.182 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccoc1C ZINC001230703749 932611165 /nfs/dbraw/zinc/61/11/65/932611165.db2.gz ZPWPAZPEWUKJSJ-UKRRQHHQSA-N 1 1 290.407 3.089 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc[nH]1 ZINC001230738691 932617196 /nfs/dbraw/zinc/61/71/96/932617196.db2.gz ISZWRWREDYGEEZ-OAHLLOKOSA-N 1 1 291.439 3.131 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc[nH]1 ZINC001230738690 932617610 /nfs/dbraw/zinc/61/76/10/932617610.db2.gz ISZWRWREDYGEEZ-HNNXBMFYSA-N 1 1 291.439 3.131 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CCCCC ZINC001230776490 932622848 /nfs/dbraw/zinc/62/28/48/932622848.db2.gz SWSJWYRITKHZMA-CVEARBPZSA-N 1 1 280.456 3.454 20 30 CGEDMO C=C(C)[C@@H]1CC[C@H](C)C[C@H]1Oc1[nH+][nH]cc2nncc1-2 ZINC001230899794 932639104 /nfs/dbraw/zinc/63/91/04/932639104.db2.gz AASLLXVYTOHKOQ-COPLHBTASA-N 1 1 272.352 3.113 20 30 CGEDMO N#Cc1cc(F)cc(-c2ccccc2C[NH+]2CCOCC2)c1 ZINC001241658177 932699578 /nfs/dbraw/zinc/69/95/78/932699578.db2.gz BLOWCVDVMNTSET-UHFFFAOYSA-N 1 1 296.345 3.197 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)C(=C)C ZINC001316599700 932743299 /nfs/dbraw/zinc/74/32/99/932743299.db2.gz FDXXQBPJHRWOIZ-HOTGVXAUSA-N 1 1 292.467 3.476 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCC[C@H]2C2CCOCC2)CC1 ZINC001334661286 932769552 /nfs/dbraw/zinc/76/95/52/932769552.db2.gz QSYHLADAABAZFZ-DQPZFDDXSA-N 1 1 276.424 3.207 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2nc3c(s2)C[C@@H](C)CC3)C1 ZINC001335329671 932777254 /nfs/dbraw/zinc/77/72/54/932777254.db2.gz LZSFMRXNGHALOL-STQMWFEESA-N 1 1 274.433 3.113 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001491946574 932798493 /nfs/dbraw/zinc/79/84/93/932798493.db2.gz FHFKUDRVBVNLSC-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](C)CCCC ZINC001492149723 932806072 /nfs/dbraw/zinc/80/60/72/932806072.db2.gz WJEJZKXCSNFQFB-IRXDYDNUSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H]1CCCNC(=O)C1CC=CC1 ZINC001492144641 932806694 /nfs/dbraw/zinc/80/66/94/932806694.db2.gz YVLCJHIQFHAPKS-OAHLLOKOSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2(F)CCCCC2)C1 ZINC001317206823 932818796 /nfs/dbraw/zinc/81/87/96/932818796.db2.gz SYXOOFCHAQYCKI-LSDHHAIUSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)CCC)[C@H]1CC ZINC001316731528 932838172 /nfs/dbraw/zinc/83/81/72/932838172.db2.gz IGVFFIBOJVYYBV-HRCADAONSA-N 1 1 280.456 3.358 20 30 CGEDMO C#CCCCCCC[NH2+][C@@H](CC(C)(C)C)C(=O)OC ZINC001462373496 937636231 /nfs/dbraw/zinc/63/62/31/937636231.db2.gz RKOUVPWAOAYDMG-AWEZNQCLSA-N 1 1 267.413 3.138 20 30 CGEDMO C=CCC[N@@H+](C)CCNC(=O)c1ccc(C)c(C)c1Cl ZINC001317467833 932891490 /nfs/dbraw/zinc/89/14/90/932891490.db2.gz ZKHPSNXUTAUFBC-UHFFFAOYSA-N 1 1 294.826 3.195 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2ccc(C)c(OC)n2)C1 ZINC001462416868 937639311 /nfs/dbraw/zinc/63/93/11/937639311.db2.gz SZOUBLCIKIYZKW-AWEZNQCLSA-N 1 1 260.381 3.187 20 30 CGEDMO N#Cc1c(F)cccc1C[NH2+][C@@H]1CCCC[C@@H]1F ZINC001462487266 937644986 /nfs/dbraw/zinc/64/49/86/937644986.db2.gz RETPPSYNERTKSK-UONOGXRCSA-N 1 1 250.292 3.068 20 30 CGEDMO C[C@H]1C[N@@H+](CCc2ccc(C#N)cc2)CC(C)(C)C1 ZINC001307607097 932976601 /nfs/dbraw/zinc/97/66/01/932976601.db2.gz YRNWFZYSHYRCBW-CQSZACIVSA-N 1 1 256.393 3.469 20 30 CGEDMO C=CCCCC[N@@H+]1[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC001307794771 933001773 /nfs/dbraw/zinc/00/17/73/933001773.db2.gz VYIVEZJGIKNQMA-GASCZTMLSA-N 1 1 280.456 3.310 20 30 CGEDMO C#CCOCC[N@H+](C)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC001307844650 933007710 /nfs/dbraw/zinc/00/77/10/933007710.db2.gz RTXUNOGAXXRZDZ-MSOLQXFVSA-N 1 1 271.404 3.294 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@@]1(C)Cc1cccc(F)c1 ZINC001307866967 933011540 /nfs/dbraw/zinc/01/15/40/933011540.db2.gz MQDOAYPVUKLZGT-KRWDZBQOSA-N 1 1 277.383 3.425 20 30 CGEDMO CCCCCCCC[N@@H+]1C[C@@H](C(=O)OC)[C@H](C2CC2)C1 ZINC001307881977 933013902 /nfs/dbraw/zinc/01/39/02/933013902.db2.gz MQRTWNORGYRIJE-JKSUJKDBSA-N 1 1 281.440 3.478 20 30 CGEDMO C#CC[N@@H+](CCSc1ccc(F)cc1F)C1CSC1 ZINC001307919138 933020592 /nfs/dbraw/zinc/02/05/92/933020592.db2.gz RYJTWYAQXLOQDY-UHFFFAOYSA-N 1 1 299.411 3.108 20 30 CGEDMO C#CC[N@H+](CCSc1ccc(F)cc1F)C1CSC1 ZINC001307919138 933020594 /nfs/dbraw/zinc/02/05/94/933020594.db2.gz RYJTWYAQXLOQDY-UHFFFAOYSA-N 1 1 299.411 3.108 20 30 CGEDMO C=CC[N@@H+](C[C@@H]1CC[C@H](c2ccccc2)O1)[C@@H](C)COC ZINC001307925077 933022585 /nfs/dbraw/zinc/02/25/85/933022585.db2.gz WZZSLEZRBPZFPP-RYQLBKOJSA-N 1 1 289.419 3.430 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cccc(F)c2Cl)C1 ZINC001308068161 933042031 /nfs/dbraw/zinc/04/20/31/933042031.db2.gz MZPJTUONTPEBHB-NSHDSACASA-N 1 1 251.732 3.324 20 30 CGEDMO C#CC[N@H+](CCCc1cccc(OC)c1)C(C)(C)C ZINC001308087689 933046027 /nfs/dbraw/zinc/04/60/27/933046027.db2.gz GFAMOZUERTXNNW-UHFFFAOYSA-N 1 1 259.393 3.362 20 30 CGEDMO C#CC[N@H+](CCCN(C(=O)OC(C)(C)C)C1CC1)C(C)C ZINC001308096151 933047959 /nfs/dbraw/zinc/04/79/59/933047959.db2.gz DZMALQROCXGCKR-UHFFFAOYSA-N 1 1 294.439 3.120 20 30 CGEDMO C#C[C@@H]1CCCC[N@H+]1CCCOCCc1ccccc1 ZINC001308143926 933056927 /nfs/dbraw/zinc/05/69/27/933056927.db2.gz XXAHEAAICWONNC-GOSISDBHSA-N 1 1 271.404 3.124 20 30 CGEDMO C#C[C@H]1CCCC[N@H+]1CCCOCCc1ccccc1 ZINC001308143928 933056975 /nfs/dbraw/zinc/05/69/75/933056975.db2.gz XXAHEAAICWONNC-SFHVURJKSA-N 1 1 271.404 3.124 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@]2(CO)c2ccccc2)s1 ZINC001308163384 933061941 /nfs/dbraw/zinc/06/19/41/933061941.db2.gz KQXYQEKBTZMKDL-QGZVFWFLSA-N 1 1 298.411 3.103 20 30 CGEDMO C#Cc1ccc(CNc2[nH+]c3cc(F)ccc3n2C)cc1 ZINC001308552152 933130654 /nfs/dbraw/zinc/13/06/54/933130654.db2.gz QTWOYYOLUCGVCD-UHFFFAOYSA-N 1 1 279.318 3.306 20 30 CGEDMO C#CC[N@H+](CC#CC)Cc1cc(C)cc(Br)c1 ZINC001308619779 933143805 /nfs/dbraw/zinc/14/38/05/933143805.db2.gz PDPUBZCMIFPRHQ-UHFFFAOYSA-N 1 1 290.204 3.216 20 30 CGEDMO C#CC[N@@H+](CC#CC)Cc1cc(C)cc(Br)c1 ZINC001308619779 933143803 /nfs/dbraw/zinc/14/38/03/933143803.db2.gz PDPUBZCMIFPRHQ-UHFFFAOYSA-N 1 1 290.204 3.216 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)C[C@]1(C)CCCCO1 ZINC001308640953 933149806 /nfs/dbraw/zinc/14/98/06/933149806.db2.gz IQOWKRNRXWFBLP-INIZCTEOSA-N 1 1 263.381 3.269 20 30 CGEDMO C=CCC[C@H]([NH2+][C@@H]1CCC(C)(C)C1)C(=O)OCC ZINC001308769413 933173588 /nfs/dbraw/zinc/17/35/88/933173588.db2.gz HRQYHDOQEXIMTQ-OLZOCXBDSA-N 1 1 253.386 3.053 20 30 CGEDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1cc(C#N)ccc1N(C)C ZINC001308826612 933185345 /nfs/dbraw/zinc/18/53/45/933185345.db2.gz UEWJOEVFUDEAOH-HZSPNIEDSA-N 1 1 271.408 3.101 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2cnn(CC3CCC3)c2)C1 ZINC001308856211 933190901 /nfs/dbraw/zinc/19/09/01/933190901.db2.gz VPPIPGZDSJIXIB-OAHLLOKOSA-N 1 1 273.424 3.471 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)C(C)C)C1 ZINC001317042449 933468436 /nfs/dbraw/zinc/46/84/36/933468436.db2.gz KRLPPKMAFFYINV-SJORKVTESA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]2C[N@@H+](CCC)CC[C@@H]21 ZINC001317106280 933472115 /nfs/dbraw/zinc/47/21/15/933472115.db2.gz UHHZTRDZAHKSIV-HOTGVXAUSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)c1cc(C)c(C)o1 ZINC001316819454 933484593 /nfs/dbraw/zinc/48/45/93/933484593.db2.gz OKXOWOZUTPFSAV-AWEZNQCLSA-N 1 1 292.423 3.303 20 30 CGEDMO C#CCC[N@@H+](CC)CCCNC(=O)C1(C)CCC(C)CC1 ZINC001316911932 933495083 /nfs/dbraw/zinc/49/50/83/933495083.db2.gz XCSFPOMHECVCSD-UHFFFAOYSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)/C(C)=C\CC)C1 ZINC001317036466 933517876 /nfs/dbraw/zinc/51/78/76/933517876.db2.gz VDAGKCNKJOAQKH-TYWAAFNRSA-N 1 1 278.440 3.089 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)/C=C\C(C)(C)C)C1 ZINC001317133771 933537142 /nfs/dbraw/zinc/53/71/42/933537142.db2.gz OGYBFAPHVIONEM-SIJIIQCFSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)C2CCC2)C1 ZINC001317140831 933540178 /nfs/dbraw/zinc/54/01/78/933540178.db2.gz SNJYMPOOSVEWNL-HOTGVXAUSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]1CCCNC(=O)C1(C)CC1 ZINC001317424376 933591614 /nfs/dbraw/zinc/59/16/14/933591614.db2.gz UDBORFWHGAKNMO-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)[C@@]1(C)CCC[C@H]1CC ZINC001317452122 933594638 /nfs/dbraw/zinc/59/46/38/933594638.db2.gz VUALNGWEYBVCKV-WBVHZDCISA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCC[N@H+](CC)CCNC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC001317484111 933602075 /nfs/dbraw/zinc/60/20/75/933602075.db2.gz OACFCCQBBNGPCG-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCC[N@H+](CC)CCNC(=O)[C@H]1CCC[C@H](C)C1 ZINC001317484110 933603248 /nfs/dbraw/zinc/60/32/48/933603248.db2.gz OACFCCQBBNGPCG-HOTGVXAUSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCC[N@H+](CCNC(=O)[C@H](C)C(C)(C)C)C1CC1 ZINC001317553339 933617141 /nfs/dbraw/zinc/61/71/41/933617141.db2.gz JFQLXGICSWDILG-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)[C@H]1CCC[C@H](F)C1)C(C)C ZINC001317685996 933632609 /nfs/dbraw/zinc/63/26/09/933632609.db2.gz GZMJLIKANFZALV-HOTGVXAUSA-N 1 1 298.446 3.308 20 30 CGEDMO C=C(C)CC[N@H+](CCCNC(=O)c1c[nH]cc1C)C(C)C ZINC001317709055 933636003 /nfs/dbraw/zinc/63/60/03/933636003.db2.gz RPTVBONGXDENCO-UHFFFAOYSA-N 1 1 291.439 3.120 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H](C)CC)c1ccccc1 ZINC001317714274 933636721 /nfs/dbraw/zinc/63/67/21/933636721.db2.gz OTYSQIISSPXEDX-WFASDCNBSA-N 1 1 294.826 3.232 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)CC2CC(C)(C)C2)C1 ZINC001317763923 933648012 /nfs/dbraw/zinc/64/80/12/933648012.db2.gz UHMLKGAETXHKNB-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@H]1CCN(C(=O)C2(C)CC2)C1 ZINC001317840767 933657345 /nfs/dbraw/zinc/65/73/45/933657345.db2.gz UPHYEGKUCARAFN-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC)CCC)C1 ZINC001317856716 933659692 /nfs/dbraw/zinc/65/96/92/933659692.db2.gz JFGNQLUNMXREDO-CVEARBPZSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CCCCCC)C1 ZINC001317950636 933667898 /nfs/dbraw/zinc/66/78/98/933667898.db2.gz VALLFUXSAXXCEO-OAHLLOKOSA-N 1 1 266.429 3.114 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)C/C=C(/C)C=C)C1 ZINC001317979243 933672500 /nfs/dbraw/zinc/67/25/00/933672500.db2.gz BGRYWGNLRQSRAL-ZMGFTNJLSA-N 1 1 290.451 3.444 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)cc1 ZINC001318224928 933699131 /nfs/dbraw/zinc/69/91/31/933699131.db2.gz SYPRYHJOXXDLEK-SZMVWBNQSA-N 1 1 298.430 3.248 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)CCC(C)C)C1 ZINC001318383281 933718454 /nfs/dbraw/zinc/71/84/54/933718454.db2.gz ZUYYPSJBXOWLAX-HOTGVXAUSA-N 1 1 280.456 3.310 20 30 CGEDMO C=CCOc1ccc(CN[C@@H]2CCCC[C@@H]2[NH+](C)C)cc1 ZINC001318411401 933721067 /nfs/dbraw/zinc/72/10/67/933721067.db2.gz UEVLGKPOIOAVGP-MSOLQXFVSA-N 1 1 288.435 3.214 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)/C=C(\C)CC)C1 ZINC001318470550 933733092 /nfs/dbraw/zinc/73/30/92/933733092.db2.gz MSDVUSMXLWATHH-QJPKHSJYSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCn1cnn(C[N@H+]2CCCC[C@@H]2[C@@H](C)CC)c1=S ZINC001318638300 933756714 /nfs/dbraw/zinc/75/67/14/933756714.db2.gz YIIDWANJGHXHBQ-UONOGXRCSA-N 1 1 294.468 3.458 20 30 CGEDMO C=CCn1cnn(C[N@@H+]2CCCC[C@@H]2[C@@H](C)CC)c1=S ZINC001318638300 933756723 /nfs/dbraw/zinc/75/67/23/933756723.db2.gz YIIDWANJGHXHBQ-UONOGXRCSA-N 1 1 294.468 3.458 20 30 CGEDMO CS[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc(F)cc2C#N)C1 ZINC001318783762 933779186 /nfs/dbraw/zinc/77/91/86/933779186.db2.gz GMTNDHDVBRNCHL-CABCVRRESA-N 1 1 278.396 3.413 20 30 CGEDMO C#CC[N@@H+](CC(=O)Nc1c(C)cccc1C(C)C)CC1CC1 ZINC001319445920 933877623 /nfs/dbraw/zinc/87/76/23/933877623.db2.gz DZFDOYDPPPYBNF-UHFFFAOYSA-N 1 1 298.430 3.402 20 30 CGEDMO C#CC[N@H+](CC(=O)Nc1c(C)cccc1C(C)C)CC1CC1 ZINC001319445920 933877628 /nfs/dbraw/zinc/87/76/28/933877628.db2.gz DZFDOYDPPPYBNF-UHFFFAOYSA-N 1 1 298.430 3.402 20 30 CGEDMO C#CC[N@H+](CCC(=O)Nc1ccccc1Cl)CC1CC1 ZINC001319666445 933911735 /nfs/dbraw/zinc/91/17/35/933911735.db2.gz HGRHTHSIQLRCDQ-UHFFFAOYSA-N 1 1 290.794 3.014 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCC1CCN(C(=O)C2(C)CC2)CC1 ZINC001319876185 933947748 /nfs/dbraw/zinc/94/77/48/933947748.db2.gz IVQWMUFIRIUCHK-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCO[C@H]1CC[N@H+]([C@H](C)c2nc3ccccc3o2)C1 ZINC001320037880 933984656 /nfs/dbraw/zinc/98/46/56/933984656.db2.gz KINJBUHHJYZFFZ-OLZOCXBDSA-N 1 1 272.348 3.166 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](CCOC2CCCCCC2)C1 ZINC001320036986 933985304 /nfs/dbraw/zinc/98/53/04/933985304.db2.gz AVSKHAAEZRAXER-INIZCTEOSA-N 1 1 267.413 3.003 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](CCc2ccccc2Cl)C1 ZINC001320038409 933985431 /nfs/dbraw/zinc/98/54/31/933985431.db2.gz RRBJXNLWHNQDRG-CQSZACIVSA-N 1 1 265.784 3.159 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCCC)C1 ZINC001320103942 934000921 /nfs/dbraw/zinc/00/09/21/934000921.db2.gz OCKHXLWBEWLLDP-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCCC)C1 ZINC001320103940 934001241 /nfs/dbraw/zinc/00/12/41/934001241.db2.gz OCKHXLWBEWLLDP-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](CC(C)(C)c2ccccc2)C1 ZINC001320208290 934017270 /nfs/dbraw/zinc/01/72/70/934017270.db2.gz HMDNWMIAVXXEPJ-MRXNPFEDSA-N 1 1 259.393 3.241 20 30 CGEDMO C=CC[C@@H]([NH2+][C@H](C)CCC1CCCC1)C(=O)OCC ZINC001320767049 934099822 /nfs/dbraw/zinc/09/98/22/934099822.db2.gz LQLYGAMBOQWQNF-UKRRQHHQSA-N 1 1 267.413 3.443 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](CC[C@H](C)OCc2ccccc2)C1 ZINC001320793207 934104927 /nfs/dbraw/zinc/10/49/27/934104927.db2.gz PYQUXNPNYNIYGK-WMZOPIPTSA-N 1 1 289.419 3.259 20 30 CGEDMO C#CCOCC[N@H+](C)CCc1cc(Cl)cc(Cl)c1 ZINC001321007344 934134046 /nfs/dbraw/zinc/13/40/46/934134046.db2.gz FFHSIBVVLFHKRJ-UHFFFAOYSA-N 1 1 286.202 3.118 20 30 CGEDMO C=CC[C@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)C(=O)OCC ZINC001321202681 934162727 /nfs/dbraw/zinc/16/27/27/934162727.db2.gz OKXOGOUSLQAZNX-AAEUAGOBSA-N 1 1 289.366 3.298 20 30 CGEDMO CSCCO[NH+]=Cc1c(Cl)cccc1N(C)C ZINC001321540181 934193932 /nfs/dbraw/zinc/19/39/32/934193932.db2.gz LZOLBTXVGKLEQI-UHFFFAOYSA-N 1 1 272.801 3.120 20 30 CGEDMO C=CCn1cnn(C[N@@H+](C)[C@@H]2CCC[C@H](C)C2)c1=S ZINC001322024947 934231241 /nfs/dbraw/zinc/23/12/41/934231241.db2.gz MPUWRTULWVPTPC-QWHCGFSZSA-N 1 1 280.441 3.068 20 30 CGEDMO C=CCn1cnn(C[N@H+](C)[C@@H]2CCC[C@H](C)C2)c1=S ZINC001322024947 934231245 /nfs/dbraw/zinc/23/12/45/934231245.db2.gz MPUWRTULWVPTPC-QWHCGFSZSA-N 1 1 280.441 3.068 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H](C)C[N@@H+](C)Cc1csc(C)c1 ZINC001322217774 934258319 /nfs/dbraw/zinc/25/83/19/934258319.db2.gz HGMAFHXOQFZFHQ-GFCCVEGCSA-N 1 1 294.464 3.205 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)C1CCC1 ZINC001322210994 934258515 /nfs/dbraw/zinc/25/85/15/934258515.db2.gz RTTWIGDZTFPODJ-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)c1ccn(C(C)C)c1C ZINC001322229713 934260270 /nfs/dbraw/zinc/26/02/70/934260270.db2.gz FMZYBTHELNSHDW-AWEZNQCLSA-N 1 1 291.439 3.004 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)CC1CCCC1 ZINC001323179396 934371093 /nfs/dbraw/zinc/37/10/93/934371093.db2.gz SMXKMDWQUTZDGK-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]1CNC(=O)C1=CCCCCC1 ZINC001323213482 934372909 /nfs/dbraw/zinc/37/29/09/934372909.db2.gz CVGDYXVOADBELJ-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]1CNC(=O)C#CC(C)(C)C ZINC001323227994 934374925 /nfs/dbraw/zinc/37/49/25/934374925.db2.gz VEEXLQIYJMLEEA-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)c1ccoc1Cl ZINC001323232267 934376067 /nfs/dbraw/zinc/37/60/67/934376067.db2.gz PFZLPMLMFUICBE-NWDGAFQWSA-N 1 1 296.798 3.092 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC001323272256 934378624 /nfs/dbraw/zinc/37/86/24/934378624.db2.gz GWYJLWYSEPPVPZ-SOLBZPMBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C1CCC(C(=O)NC[C@H]2CC[N@@H+]2CCCCCF)CC1 ZINC001323302178 934381624 /nfs/dbraw/zinc/38/16/24/934381624.db2.gz MSGQYYPLIKESKM-MRXNPFEDSA-N 1 1 296.430 3.063 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC)C2 ZINC001323813558 934427832 /nfs/dbraw/zinc/42/78/32/934427832.db2.gz RVFKMQQIKMHYBX-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@H](C=C)CC)C2)C1 ZINC001323860453 934432615 /nfs/dbraw/zinc/43/26/15/934432615.db2.gz RSYXRTIYAWTUCN-SJLPKXTDSA-N 1 1 290.451 3.089 20 30 CGEDMO CCCCCCCCC[N@@H+](C)C[C@@H]1CN(C)C(=O)O1 ZINC001324257689 934474953 /nfs/dbraw/zinc/47/49/53/934474953.db2.gz ALVFYGAKLMYQMX-CQSZACIVSA-N 1 1 270.417 3.119 20 30 CGEDMO C[C@@H]1C[C@@H]([NH2+]C2CC(C#N)(c3ccccc3)C2)c2nccn21 ZINC001324543988 934521747 /nfs/dbraw/zinc/52/17/47/934521747.db2.gz XBSCUMJWWSCIPW-ZFRYHDOHSA-N 1 1 292.386 3.102 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)C(C)=C2CCC2)C1 ZINC001324616830 934534526 /nfs/dbraw/zinc/53/45/26/934534526.db2.gz XVOZPZXDVGLOFW-KRWDZBQOSA-N 1 1 276.424 3.034 20 30 CGEDMO C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](C)CCCCCC)C1 ZINC001324657922 934542639 /nfs/dbraw/zinc/54/26/39/934542639.db2.gz UPOCDCCTZFCPMK-WMZOPIPTSA-N 1 1 292.467 3.197 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@](C)(NC(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001324662862 934544555 /nfs/dbraw/zinc/54/45/55/934544555.db2.gz WXLCHVUNFLBDKJ-MAUKXSAKSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CC[N@H+](CCc1cnn(CC)c1)[C@@H]1CCc2ccccc21 ZINC001473121832 937793185 /nfs/dbraw/zinc/79/31/85/937793185.db2.gz KGXSSIGFGGJNFQ-LJQANCHMSA-N 1 1 293.414 3.068 20 30 CGEDMO C=C[C@H](C(=O)OC)[N@@H+](CCC)CC1CCCCC1 ZINC001473120700 937793195 /nfs/dbraw/zinc/79/31/95/937793195.db2.gz OVXRDZKFILPNBO-CQSZACIVSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001473137730 937794160 /nfs/dbraw/zinc/79/41/60/937794160.db2.gz WBBDTGDVBABLPW-KBPBESRZSA-N 1 1 282.428 3.282 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCCC[C@H]1[C@@H](O)CC ZINC001473181944 937796057 /nfs/dbraw/zinc/79/60/57/937796057.db2.gz QZJGIDJXNBLBDH-HOTGVXAUSA-N 1 1 251.414 3.196 20 30 CGEDMO N#Cc1ccc(C[N@@H+](C[C@@H]2CC[C@@H](C3CC3)O2)C2CC2)cc1 ZINC001473304932 937801212 /nfs/dbraw/zinc/80/12/12/937801212.db2.gz TYHYNDMFDDCIMP-OALUTQOASA-N 1 1 296.414 3.480 20 30 CGEDMO CC[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1cncc(C#N)c1 ZINC001473389345 937804536 /nfs/dbraw/zinc/80/45/36/937804536.db2.gz SSCIGHFLJWYHHY-HOTGVXAUSA-N 1 1 257.381 3.354 20 30 CGEDMO C=CCN1CC[C@H]([N@H+](C)Cc2ccccc2C(C)C)C1=O ZINC001473426533 937806435 /nfs/dbraw/zinc/80/64/35/937806435.db2.gz BYGXCBUDYRMALL-KRWDZBQOSA-N 1 1 286.419 3.029 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](C)CC)C1 ZINC001324909247 934871859 /nfs/dbraw/zinc/87/18/59/934871859.db2.gz JYIGWOSCQZACSN-WBVHZDCISA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+]([C@@H](C)CCc2ccccc2)C1 ZINC001325228718 934896534 /nfs/dbraw/zinc/89/65/34/934896534.db2.gz QRAVCDIEIJVORD-DOTOQJQBSA-N 1 1 259.393 3.285 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](C[C@@H](O)CCCCCC)C1 ZINC001473582476 937812203 /nfs/dbraw/zinc/81/22/03/937812203.db2.gz XDGSCEUWUJHMPP-HOTGVXAUSA-N 1 1 251.414 3.053 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](CC2([C@@H]3CCCCO3)CCC2)C1 ZINC001473581305 937812580 /nfs/dbraw/zinc/81/25/80/937812580.db2.gz KMUGBLMYMSILLC-SJORKVTESA-N 1 1 275.436 3.461 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC(CC)CC ZINC001325919271 934939025 /nfs/dbraw/zinc/93/90/25/934939025.db2.gz HRGHXWPKQSZFDD-HZPDHXFCSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CCc2ccc(C(C)C)cc2C1 ZINC001473624447 937814106 /nfs/dbraw/zinc/81/41/06/937814106.db2.gz ZHOMIFBBKPSAGC-QGZVFWFLSA-N 1 1 259.393 3.105 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC001327127555 935033053 /nfs/dbraw/zinc/03/30/53/935033053.db2.gz XCOCSTRVPQHLEI-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](C[C@@H](C)c2ccc(OC)cc2)C1 ZINC001327498160 935063666 /nfs/dbraw/zinc/06/36/66/935063666.db2.gz DRQKXOWHUFTMBJ-PBHICJAKSA-N 1 1 275.392 3.076 20 30 CGEDMO COc1cccc(N[NH+]=Cc2ccc(N)cc2Cl)c1 ZINC001327706819 935079335 /nfs/dbraw/zinc/07/93/35/935079335.db2.gz RAIRBDHUXBFNPG-UHFFFAOYSA-N 1 1 275.739 3.377 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](CN2CC[C@@H](c3ccccc3)C2=O)C1 ZINC001327701749 935079855 /nfs/dbraw/zinc/07/98/55/935079855.db2.gz ZHZVBAKWGZEZDZ-WMZOPIPTSA-N 1 1 298.430 3.248 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC(=C)C)[C@@H](C)C1 ZINC001328281680 935127590 /nfs/dbraw/zinc/12/75/90/935127590.db2.gz XGLZLCJDTPWFHK-GJZGRUSLSA-N 1 1 278.440 3.134 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2(CF)CCC2)C[C@@H]1C ZINC001328278954 935127823 /nfs/dbraw/zinc/12/78/23/935127823.db2.gz LHPDHTOFUCIXBO-GJZGRUSLSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1c(Cl)cccc1N(C)C ZINC001328523218 935145170 /nfs/dbraw/zinc/14/51/70/935145170.db2.gz DUCMNDAGGDCRSG-UHFFFAOYSA-N 1 1 252.789 3.414 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1c(Cl)cccc1N(C)C ZINC001328523218 935145173 /nfs/dbraw/zinc/14/51/73/935145173.db2.gz DUCMNDAGGDCRSG-UHFFFAOYSA-N 1 1 252.789 3.414 20 30 CGEDMO C=CC[N@H+](CC)CC1CCN(C(=O)C/C=C(\C)C=C)CC1 ZINC001328578817 935149446 /nfs/dbraw/zinc/14/94/46/935149446.db2.gz QVBUOMPRMGCLLB-LZYBPNLTSA-N 1 1 290.451 3.255 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)CC ZINC001328766186 935168092 /nfs/dbraw/zinc/16/80/92/935168092.db2.gz UROBVQOXMSPNFN-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)C(C1CCC1)C1CCC1 ZINC001329519788 935223446 /nfs/dbraw/zinc/22/34/46/935223446.db2.gz ZRWYZKOIAKNDNQ-AWEZNQCLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)CNC(=O)c1cccc(C2CCC2)c1 ZINC001329592033 935230879 /nfs/dbraw/zinc/23/08/79/935230879.db2.gz KKXBVNXQWCYGDB-AWEZNQCLSA-N 1 1 286.419 3.190 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2nc(-c3ccccc3)c[nH]2)C1 ZINC001330107346 935270192 /nfs/dbraw/zinc/27/01/92/935270192.db2.gz AWANMAOAWPWQMY-HNNXBMFYSA-N 1 1 279.387 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)/C=C(/C)CC)C[C@@H]2C1 ZINC001330453288 935288242 /nfs/dbraw/zinc/28/82/42/935288242.db2.gz JFPIXBRHSUJGEK-UKBYRXAPSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)c2cccs2)CC1 ZINC001331000214 935341577 /nfs/dbraw/zinc/34/15/77/935341577.db2.gz MTMBNJQABVFYPK-UHFFFAOYSA-N 1 1 292.448 3.251 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(C(F)(F)F)nc1 ZINC001331836674 935413335 /nfs/dbraw/zinc/41/33/35/935413335.db2.gz KEXOCORKSJPPQK-SECBINFHSA-N 1 1 269.270 3.055 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@]12CCC[C@H]1[N@@H+](CCC)CC2 ZINC001332089042 935438400 /nfs/dbraw/zinc/43/84/00/935438400.db2.gz ICAXIAWAEAEJGP-PBHICJAKSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CCC(=O)N[C@@]12CCC[C@H]1[N@@H+](CC=C(C)C)CC2 ZINC001332094233 935439969 /nfs/dbraw/zinc/43/99/69/935439969.db2.gz ZYYRKKXFXJCSNI-SJLPKXTDSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)CCC3(C)CC3)CCC[C@@H]12 ZINC001332110585 935440699 /nfs/dbraw/zinc/44/06/99/935440699.db2.gz JMCSYJSARRPLBV-CRAIPNDOSA-N 1 1 290.451 3.256 20 30 CGEDMO C#CCCCCCC(=O)N[C@@H]1CCC[N@@H+](CC(=C)C)[C@H]1C ZINC001332197556 935448325 /nfs/dbraw/zinc/44/83/25/935448325.db2.gz CPMXWIMYSFUQGM-DLBZAZTESA-N 1 1 290.451 3.115 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CCCCCC(C)C)[C@@H]1C ZINC001332205992 935449140 /nfs/dbraw/zinc/44/91/40/935449140.db2.gz MLAVHMXGARAANP-DLBZAZTESA-N 1 1 292.467 3.195 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001332523398 935474927 /nfs/dbraw/zinc/47/49/27/935474927.db2.gz QAAPOXYANLWTRG-GJZGRUSLSA-N 1 1 299.374 3.479 20 30 CGEDMO Cc1nc2c(o1)CCC[C@H]2[NH2+]Cc1cccc(OCC#N)c1 ZINC001332866539 935492928 /nfs/dbraw/zinc/49/29/28/935492928.db2.gz SCNPCNVHOPTEMG-OAHLLOKOSA-N 1 1 297.358 3.053 20 30 CGEDMO N#CC1(C[NH2+]Cc2cccn2C2CC2)CCCCC1 ZINC001333127257 935512485 /nfs/dbraw/zinc/51/24/85/935512485.db2.gz KXYFBQNIVJAFGA-UHFFFAOYSA-N 1 1 257.381 3.387 20 30 CGEDMO C=CCCCCC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2C)CC1 ZINC001333379419 935531012 /nfs/dbraw/zinc/53/10/12/935531012.db2.gz TWRNDYOHDHUZDA-NVXWUHKLSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CNC(=O)c2ccc(C)cc2)CC1 ZINC001333433200 935534527 /nfs/dbraw/zinc/53/45/27/935534527.db2.gz KRHYWXFRCWAWNA-UHFFFAOYSA-N 1 1 298.430 3.323 20 30 CGEDMO N#CC1(C[N@H+]2CCCSC[C@H]2c2ccccc2)CC1 ZINC001333490057 935540688 /nfs/dbraw/zinc/54/06/88/935540688.db2.gz INUAMYSQTUPLAS-HNNXBMFYSA-N 1 1 272.417 3.470 20 30 CGEDMO N#Cc1ccc(-c2ccn(C[N@@H+]3CCC[C@H](CF)C3)n2)cc1 ZINC001333808947 936068421 /nfs/dbraw/zinc/06/84/21/936068421.db2.gz UKFPQQOMZYBFSL-OAHLLOKOSA-N 1 1 298.365 3.061 20 30 CGEDMO C=CC1(CC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CCCCC1 ZINC001334106777 936085473 /nfs/dbraw/zinc/08/54/73/936085473.db2.gz ZVPIPXFBCMOQQY-HOTGVXAUSA-N 1 1 290.451 3.256 20 30 CGEDMO Cc1cccnc1[C@H]([NH2+]CC1(C#N)CC1)C(C)(C)C ZINC001334680474 936108014 /nfs/dbraw/zinc/10/80/14/936108014.db2.gz WAQDENUFOCINPO-AWEZNQCLSA-N 1 1 257.381 3.371 20 30 CGEDMO CC[C@@]1(CO)CCC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC001335837463 936163550 /nfs/dbraw/zinc/16/35/50/936163550.db2.gz BCYZEZCMLOLOQT-MRXNPFEDSA-N 1 1 278.440 3.335 20 30 CGEDMO C#Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)cc1 ZINC001336640674 936202197 /nfs/dbraw/zinc/20/21/97/936202197.db2.gz CAXAJGZVNWJYHM-KRWDZBQOSA-N 1 1 282.387 3.013 20 30 CGEDMO C#CC[N@H+](C[C@H](CC)OC)[C@@H]1CCCc2ccccc21 ZINC001473825711 937823604 /nfs/dbraw/zinc/82/36/04/937823604.db2.gz CUQFNATYZCSVQT-FUHWJXTLSA-N 1 1 271.404 3.424 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1CC(=O)N(C1CC1)C1CCC(C)CC1 ZINC001473863835 937825791 /nfs/dbraw/zinc/82/57/91/937825791.db2.gz GIEVZRVWHAOMJK-HWOWSKLDSA-N 1 1 290.451 3.207 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@H]1c1ccc(C(=O)OC)n1C ZINC001473890480 937827551 /nfs/dbraw/zinc/82/75/51/937827551.db2.gz XGLCUWHBLSLTHU-HNNXBMFYSA-N 1 1 290.407 3.305 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2noc3ccccc32)cc1F ZINC001474704992 937876005 /nfs/dbraw/zinc/87/60/05/937876005.db2.gz YFPOZNXSARBMKQ-UHFFFAOYSA-N 1 1 281.290 3.128 20 30 CGEDMO C=CCC1(CNC(=O)NCC[N@H+](CC)C(C)C)CCCC1 ZINC001477747154 937897928 /nfs/dbraw/zinc/89/79/28/937897928.db2.gz RNRHLSOJXGESTB-UHFFFAOYSA-N 1 1 295.471 3.152 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)CC=C)[C@H]1CC ZINC001479642598 937923105 /nfs/dbraw/zinc/92/31/05/937923105.db2.gz NERAPPOTOKXYQK-LSDHHAIUSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)CC2(C)CCCC2)[C@H]1CC ZINC001479633901 937923380 /nfs/dbraw/zinc/92/33/80/937923380.db2.gz JWCDBIMOXJNIRU-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C=C(CC)CC)[C@H]1C ZINC001479704413 937924294 /nfs/dbraw/zinc/92/42/94/937924294.db2.gz WMDCFOJUJVGGLE-ZBFHGGJFSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)CCCCC)[C@H]1C ZINC001479728434 937924711 /nfs/dbraw/zinc/92/47/11/937924711.db2.gz GUAAYQAZJDJKEA-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)c1ccc(F)s1 ZINC001479816385 937926560 /nfs/dbraw/zinc/92/65/60/937926560.db2.gz IYBSFDYAKWYFRF-GFCCVEGCSA-N 1 1 298.427 3.294 20 30 CGEDMO C=C1CC(C)(C(=O)NCCC[N@H+](CC)C[C@@H](C)CC)C1 ZINC001479853822 937927381 /nfs/dbraw/zinc/92/73/81/937927381.db2.gz GHZSBQGEPOOIEK-AWEZNQCLSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)CCCNC(=O)C1=CCCCCC1 ZINC001479842216 937927389 /nfs/dbraw/zinc/92/73/89/937927389.db2.gz OCGXYSFHGIGXPM-UHFFFAOYSA-N 1 1 298.858 3.458 20 30 CGEDMO C=C(Cl)C[N@H+](CCCNC(=O)C[C@@H]1C=CCC1)C1CC1 ZINC001479864306 937927807 /nfs/dbraw/zinc/92/78/07/937927807.db2.gz VPWLPQGMUCXTCY-CQSZACIVSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+](CCCNC(=O)C[C@@H]1C=CCC1)C1CC1 ZINC001479864306 937927809 /nfs/dbraw/zinc/92/78/09/937927809.db2.gz VPWLPQGMUCXTCY-CQSZACIVSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CCCC)C(C)C)C1 ZINC001479914950 937928730 /nfs/dbraw/zinc/92/87/30/937928730.db2.gz AUHDTMFWYAFJSD-HOTGVXAUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)CCCCC)C1 ZINC001479965758 937930360 /nfs/dbraw/zinc/93/03/60/937930360.db2.gz NDRXQDOBSJAFHL-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CC(=C)Cl)C1 ZINC001480379842 937937551 /nfs/dbraw/zinc/93/75/51/937937551.db2.gz MSRPVOXRIVFVEX-LSDHHAIUSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)C(C)(C)C ZINC001480392598 937938020 /nfs/dbraw/zinc/93/80/20/937938020.db2.gz KQPCCLSEVJWOFO-LEOABGAYSA-N 1 1 292.467 3.070 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](CCC)C(C)C)C1 ZINC001480735846 937943273 /nfs/dbraw/zinc/94/32/73/937943273.db2.gz KWXITISVJWNCIU-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H]1CCCNC(=O)C1=CCCC1 ZINC001480821356 937944855 /nfs/dbraw/zinc/94/48/55/937944855.db2.gz WJEHGKHDMZXTLO-OAHLLOKOSA-N 1 1 296.842 3.210 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H](C)C(C)(C)C ZINC001480826988 937945292 /nfs/dbraw/zinc/94/52/92/937945292.db2.gz WCQJPFQKWBMQPE-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)C[C@@H]1CCCC[C@H]1C ZINC001493063225 937946815 /nfs/dbraw/zinc/94/68/15/937946815.db2.gz KDVGJRDMPMNKLE-CVEARBPZSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@](C)(F)CCCC ZINC001493117814 937947239 /nfs/dbraw/zinc/94/72/39/937947239.db2.gz DINGYYRDJOSUNC-GOEBONIOSA-N 1 1 284.419 3.062 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)C1(CCF)CC1 ZINC001493118005 937947471 /nfs/dbraw/zinc/94/74/71/937947471.db2.gz PXWAAYWRNPKLRC-CABCVRRESA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)/C(C)=C\CC)C1 ZINC001493939241 937952324 /nfs/dbraw/zinc/95/23/24/937952324.db2.gz KOPSGIBCAHHCNY-YMDFIQGPSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](CCNC(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001494057661 937953012 /nfs/dbraw/zinc/95/30/12/937953012.db2.gz DQUXPGDZQDBFNU-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)C2(C)CCCC2)C1 ZINC001494149826 937953813 /nfs/dbraw/zinc/95/38/13/937953813.db2.gz MZXDLZDYGRWZSV-CQSZACIVSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(C)CC[N@H+](C)CC1CCN(C(=O)CC2CCC2)CC1 ZINC001494190899 937953963 /nfs/dbraw/zinc/95/39/63/937953963.db2.gz NIZXFMXERIQWEA-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCCC(=O)N1CCC(C[N@H+](C)CC(C)C)CC1 ZINC001494207668 937953978 /nfs/dbraw/zinc/95/39/78/937953978.db2.gz ZOZRCMMUQCKQMA-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)C[N@@H+](C)CC1CCN(C(=O)CCCC2CC2)CC1 ZINC001494204632 937954030 /nfs/dbraw/zinc/95/40/30/937954030.db2.gz IYMCDGSOKNLBDC-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1CCC[N@H+](CC/C=C\CCC)C1 ZINC001494267061 937954051 /nfs/dbraw/zinc/95/40/51/937954051.db2.gz XHRUNAOKBVQHOC-ZPUOCTKUSA-N 1 1 290.451 3.117 20 30 CGEDMO C=CC1(CC(=O)NC2C[NH+](CC[C@H](C)F)C2)CCCCC1 ZINC001494466579 937954947 /nfs/dbraw/zinc/95/49/47/937954947.db2.gz XCVPTMQMHKEWBR-AWEZNQCLSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1(C)CCCC1 ZINC001494651453 937955344 /nfs/dbraw/zinc/95/53/44/937955344.db2.gz ADANJJFXJTUNHU-HOTGVXAUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCCCF ZINC001494666912 937955482 /nfs/dbraw/zinc/95/54/82/937955482.db2.gz FOWQTCIVLXZDBD-YQQAZPJKSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)C2(CCCC)CC2)C1 ZINC001494849138 937956775 /nfs/dbraw/zinc/95/67/75/937956775.db2.gz WMIJXDHVLJFWHY-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)CCCCC(C)C)C1 ZINC001494862124 937957001 /nfs/dbraw/zinc/95/70/01/937957001.db2.gz NBMHDBSLKKZEPH-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)CCCC2CC2)C1 ZINC001494909145 937957345 /nfs/dbraw/zinc/95/73/45/937957345.db2.gz HPAUHMNRQUMLOF-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C[C@H](CC)CC(=O)N(CC)[C@H]1CC[N@H+](C/C=C\Cl)C1 ZINC001494911402 937957411 /nfs/dbraw/zinc/95/74/11/937957411.db2.gz UNKBZSIUZMIWNC-MJYKILKPSA-N 1 1 298.858 3.264 20 30 CGEDMO C=C[C@H](CC)CC(=O)N(CC)[C@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC001494911402 937957412 /nfs/dbraw/zinc/95/74/12/937957412.db2.gz UNKBZSIUZMIWNC-MJYKILKPSA-N 1 1 298.858 3.264 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]2CN(C(=O)C3CC3)CC[C@@H]21 ZINC001496848956 937964557 /nfs/dbraw/zinc/96/45/57/937964557.db2.gz AFMXCMOUESYSLT-IRXDYDNUSA-N 1 1 292.467 3.290 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCC(C)(C)C)C1 ZINC001496852273 937964570 /nfs/dbraw/zinc/96/45/70/937964570.db2.gz AMBUVGFNSULDEV-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CCC(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1F ZINC001498296411 937968905 /nfs/dbraw/zinc/96/89/05/937968905.db2.gz XYIOEMJEFMKQAN-CQSZACIVSA-N 1 1 292.398 3.119 20 30 CGEDMO C=C(C)CCC(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1F ZINC001498296411 937968906 /nfs/dbraw/zinc/96/89/06/937968906.db2.gz XYIOEMJEFMKQAN-CQSZACIVSA-N 1 1 292.398 3.119 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)C1(C)CCCCC1 ZINC001498376730 937969358 /nfs/dbraw/zinc/96/93/58/937969358.db2.gz RRDMFZDHQQGRDP-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)C12CCC(CC1)C2(C)C ZINC001498402285 937969569 /nfs/dbraw/zinc/96/95/69/937969569.db2.gz ZBPNVJAOCRVOCB-KSTDHSDQSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)c1cccc2ccccc21 ZINC001498442431 937969802 /nfs/dbraw/zinc/96/98/02/937969802.db2.gz AUPWXJKHMKXZLO-OAHLLOKOSA-N 1 1 296.414 3.466 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)c1ccoc1C(C)C ZINC001498466000 937969833 /nfs/dbraw/zinc/96/98/33/937969833.db2.gz SIUPVWFARWHOPU-ZDUSSCGKSA-N 1 1 278.396 3.029 20 30 CGEDMO CCCCCCC[NH+]1CC(N(C)C(=O)C#CC(C)(C)C)C1 ZINC001499664106 937974340 /nfs/dbraw/zinc/97/43/40/937974340.db2.gz AUEQZZLKVNMDDE-UHFFFAOYSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@](C)(CNC(=O)CCC)C1 ZINC001500470093 937977465 /nfs/dbraw/zinc/97/74/65/937977465.db2.gz XGDNFOFJDWYNFJ-DOTOQJQBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@](C)(CNC(=O)CCC)C1 ZINC001500470094 937977491 /nfs/dbraw/zinc/97/74/91/937977491.db2.gz XGDNFOFJDWYNFJ-NVXWUHKLSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)c2ccsc2)C1 ZINC001500472139 937977598 /nfs/dbraw/zinc/97/75/98/937977598.db2.gz MOYFJGBJAFLBME-MRXNPFEDSA-N 1 1 292.448 3.156 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)C2(C)CC=CC2)C1 ZINC001500519658 937977882 /nfs/dbraw/zinc/97/78/82/937977882.db2.gz QSXVBEIIYRXUAM-KRWDZBQOSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CCC3(C)CC3)[C@@H]2C1 ZINC001501424619 937979384 /nfs/dbraw/zinc/97/93/84/937979384.db2.gz BOAMXKLGPGAUJN-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC1(C)C ZINC001501382763 937979500 /nfs/dbraw/zinc/97/95/00/937979500.db2.gz QJOBRDNWISRAFQ-ARFHVFGLSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)CCC ZINC001501396112 937979538 /nfs/dbraw/zinc/97/95/38/937979538.db2.gz SRRAUBNRXXBTJO-JKSUJKDBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CCC[N@H+](CCCC)CC1 ZINC001502134903 937981315 /nfs/dbraw/zinc/98/13/15/937981315.db2.gz BWXYERLUFZXQIL-HNNXBMFYSA-N 1 1 266.429 3.114 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC001502135071 937981393 /nfs/dbraw/zinc/98/13/93/937981393.db2.gz GSXIAVVLXXSFAP-AEFFLSMTSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCCF)C1 ZINC001502406936 937982365 /nfs/dbraw/zinc/98/23/65/937982365.db2.gz WMRSMAZRRZARBZ-CVEARBPZSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)c1cc(C)ccc1C ZINC001502394242 937982394 /nfs/dbraw/zinc/98/23/94/937982394.db2.gz PMSXGCXVBMSCEM-UHFFFAOYSA-N 1 1 288.435 3.273 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)CCC)C2 ZINC001502540889 937982794 /nfs/dbraw/zinc/98/27/94/937982794.db2.gz IJJVDMDWIYIPNC-WMZOPIPTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1CC[N@H+](CCC)CC1(C)C ZINC001502832714 937983591 /nfs/dbraw/zinc/98/35/91/937983591.db2.gz XUVBMXWRNFZOAU-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)CCCC)C[C@@H]1C ZINC001502903711 937983777 /nfs/dbraw/zinc/98/37/77/937983777.db2.gz SXGFEGJCWCIYRV-GJZGRUSLSA-N 1 1 266.429 3.112 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1ccc(Cl)o1 ZINC001505869320 937987539 /nfs/dbraw/zinc/98/75/39/937987539.db2.gz RLLFBTADRYEGJM-VXGBXAGGSA-N 1 1 298.814 3.338 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1[nH]c(C)cc1C ZINC001505945494 937987928 /nfs/dbraw/zinc/98/79/28/937987928.db2.gz DMJHEZNTVBVWRQ-LSDHHAIUSA-N 1 1 291.439 3.036 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)c1cc(C)cs1 ZINC001505914549 937988071 /nfs/dbraw/zinc/98/80/71/937988071.db2.gz NPDDATXQIYUEJI-CYBMUJFWSA-N 1 1 280.437 3.073 20 30 CGEDMO C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C)C(CC)CC ZINC001506558288 937990790 /nfs/dbraw/zinc/99/07/90/937990790.db2.gz LTNZQQSSIQSFFP-RDJZCZTQSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCCC(=O)N[C@H]1C[N@H+](C[C@@H](C)CC)CC1(C)C ZINC001506750493 937991850 /nfs/dbraw/zinc/99/18/50/937991850.db2.gz ZIUVWPQWMUHDFV-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO CC#CC[N@H+](C)C1CCN(C(=O)C[C@@H](CC)C(C)C)CC1 ZINC001506970337 937993195 /nfs/dbraw/zinc/99/31/95/937993195.db2.gz MFPJOTBKPMZRLQ-MRXNPFEDSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@]12CCC[C@@H]1[N@@H+](CC1CC1)CC2 ZINC001507346997 937995227 /nfs/dbraw/zinc/99/52/27/937995227.db2.gz WQEIPVSTFDTKMA-YJBOKZPZSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)CCC3CCCC3)CCC[C@@H]12 ZINC001507336337 937995318 /nfs/dbraw/zinc/99/53/18/937995318.db2.gz RPUQHBKZKYCOOF-SJLPKXTDSA-N 1 1 290.451 3.256 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)C[C@H]1CC=CCC1)C(C)C ZINC001507823463 937996794 /nfs/dbraw/zinc/99/67/94/937996794.db2.gz SYEOZOIAQXWAPF-INIZCTEOSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)C[C@@H]1C[C@H]1C1CC1)C(C)C ZINC001507826378 937996905 /nfs/dbraw/zinc/99/69/05/937996905.db2.gz ZMELMTZKTFBWKN-IRXDYDNUSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C(=O)[C@@H]1C[C@H]1CC)C(C)C ZINC001507834196 937997237 /nfs/dbraw/zinc/99/72/37/937997237.db2.gz MAZMVYPWECSPOZ-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C1CCC(C(=O)OCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001514902774 938003641 /nfs/dbraw/zinc/00/36/41/938003641.db2.gz ONNJKCWNZKWAFY-VHRNVKJDSA-N 1 1 277.408 3.149 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC001520336223 938024885 /nfs/dbraw/zinc/02/48/85/938024885.db2.gz CIUGPNHUIDADRW-USXIJHARSA-N 1 1 299.418 3.181 20 30 CGEDMO CCCCCCCC(=O)N1[C@H](C)C[N@@H+](C)[C@@H](C)[C@@H]1C ZINC001527120333 938060517 /nfs/dbraw/zinc/06/05/17/938060517.db2.gz WMECZTNIJHQQHL-ILXRZTDVSA-N 1 1 268.445 3.286 20 30 CGEDMO C=C(CC(C)C)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001528094609 938065467 /nfs/dbraw/zinc/06/54/67/938065467.db2.gz KTWRULFBBVGHAT-CVEARBPZSA-N 1 1 292.467 3.358 20 30 CGEDMO CCCCCCCCC(=O)NC[C@@H]1CCCC[N@H+]1C ZINC001537276143 938109161 /nfs/dbraw/zinc/10/91/61/938109161.db2.gz BXDSEJJOSWGSDU-HNNXBMFYSA-N 1 1 268.445 3.338 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)[C@H]1CC[C@H](CC)CC1 ZINC001556466801 938203870 /nfs/dbraw/zinc/20/38/70/938203870.db2.gz NGNYEHCZRYWGJG-WKILWMFISA-N 1 1 280.456 3.169 20 30 CGEDMO C[N@H+]1C[C@@H]2CC[C@H](Nc3nc(C(C)(C)C)ccc3C#N)[C@@H]2C1 ZINC001559303760 938224935 /nfs/dbraw/zinc/22/49/35/938224935.db2.gz GGTNGFJENDFFQI-ZNMIVQPWSA-N 1 1 298.434 3.003 20 30 CGEDMO C=CC[N@@H+](CCc1ccns1)CCc1ccccc1 ZINC001559513941 938228152 /nfs/dbraw/zinc/22/81/52/938228152.db2.gz MDPCAPPYZQBZMZ-UHFFFAOYSA-N 1 1 272.417 3.416 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1ccc2oc(=O)n(C)c2c1 ZINC001559556363 938229658 /nfs/dbraw/zinc/22/96/58/938229658.db2.gz ZLGUHXAXWVJGAR-UHFFFAOYSA-N 1 1 288.391 3.310 20 30 CGEDMO C#CCOCC[N@@H+](C)CCCCc1cccc(Cl)c1 ZINC001559719579 938233408 /nfs/dbraw/zinc/23/34/08/938233408.db2.gz JNWSSHFXZRCFEP-UHFFFAOYSA-N 1 1 279.811 3.244 20 30 CGEDMO CCCCCCCCC[N@H+]1C[C@@H](C)O[C@@H](COC)C1 ZINC001559762774 938234902 /nfs/dbraw/zinc/23/49/02/938234902.db2.gz UEBSUXFFVUWRSI-HZPDHXFCSA-N 1 1 271.445 3.473 20 30 CGEDMO CC(C)(C)[C@H]1CCC[N@@H+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC001559788238 938235864 /nfs/dbraw/zinc/23/58/64/938235864.db2.gz ZEJVDSNKRVOMIA-IRXDYDNUSA-N 1 1 286.419 3.350 20 30 CGEDMO C=CCCCC[N@@H+]1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC001559858999 938237364 /nfs/dbraw/zinc/23/73/64/938237364.db2.gz QQANXIBXCBPWBY-LLVKDONJSA-N 1 1 265.319 3.384 20 30 CGEDMO C=CCCCC[N@H+]1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC001559858999 938237365 /nfs/dbraw/zinc/23/73/65/938237365.db2.gz QQANXIBXCBPWBY-LLVKDONJSA-N 1 1 265.319 3.384 20 30 CGEDMO COCC#CC[N@H+]1CCc2ccc(-c3ccccc3)cc2C1 ZINC001559875294 938237677 /nfs/dbraw/zinc/23/76/77/938237677.db2.gz QYVNUCVCVRXIBK-UHFFFAOYSA-N 1 1 291.394 3.362 20 30 CGEDMO CCCCCCCC[N@H+]1[C@H](C)CC[C@H](C(N)=O)[C@H]1C ZINC001559949454 938239650 /nfs/dbraw/zinc/23/96/50/938239650.db2.gz ZYALMKJTYSMBBJ-KFWWJZLASA-N 1 1 268.445 3.321 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CCCCC3)C1 ZINC001559947311 938239661 /nfs/dbraw/zinc/23/96/61/938239661.db2.gz PPKORDNZLMKLJA-CVEARBPZSA-N 1 1 261.409 3.071 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)N(C)[C@H](C)CC(C)C)C1 ZINC001559983707 938240897 /nfs/dbraw/zinc/24/08/97/938240897.db2.gz ZHUZAAUUARZFBZ-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO CC#CC[N@H+]([C@@H](C)COC)[C@H]1CCc2ccccc21 ZINC001560045881 938242571 /nfs/dbraw/zinc/24/25/71/938242571.db2.gz VGCJUFAOMDDLLV-YOEHRIQHSA-N 1 1 257.377 3.034 20 30 CGEDMO C=C(CC)C[N@H+]1C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C1 ZINC001560140223 938245008 /nfs/dbraw/zinc/24/50/08/938245008.db2.gz OWMHIHIYHHJRDA-CYBMUJFWSA-N 1 1 282.428 3.188 20 30 CGEDMO C#CC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C ZINC001560156791 938245483 /nfs/dbraw/zinc/24/54/83/938245483.db2.gz ZEEQTQOSRYEIGQ-UHFFFAOYSA-N 1 1 280.755 3.482 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C ZINC001560156791 938245484 /nfs/dbraw/zinc/24/54/84/938245484.db2.gz ZEEQTQOSRYEIGQ-UHFFFAOYSA-N 1 1 280.755 3.482 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@H]1[C@@H](C)c1ccccc1 ZINC001560163748 938245521 /nfs/dbraw/zinc/24/55/21/938245521.db2.gz ZWPFIYLNQZXCBE-RDJZCZTQSA-N 1 1 259.393 3.457 20 30 CGEDMO C=CCC[C@@H]1CCC[N@H+]1Cc1noc(C)c1C(=O)OCC ZINC001560199754 938246721 /nfs/dbraw/zinc/24/67/21/938246721.db2.gz CJJRROWNARXQLT-CYBMUJFWSA-N 1 1 292.379 3.090 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1noc(C)c1C(=O)OCC ZINC001560199754 938246722 /nfs/dbraw/zinc/24/67/22/938246722.db2.gz CJJRROWNARXQLT-CYBMUJFWSA-N 1 1 292.379 3.090 20 30 CGEDMO CCCCCCC[N@@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC001560216216 938247689 /nfs/dbraw/zinc/24/76/89/938247689.db2.gz XJVMSDMMFNUTDJ-QZTJIDSGSA-N 1 1 275.436 3.492 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1cccc2c1OCC2 ZINC001560710068 938271637 /nfs/dbraw/zinc/27/16/37/938271637.db2.gz YRBRHHIFMDPJCE-UHFFFAOYSA-N 1 1 283.371 3.445 20 30 CGEDMO C=CCC[C@@H]([NH2+]C1CCC(CC)CC1)C(=O)OCC ZINC001560837379 938278600 /nfs/dbraw/zinc/27/86/00/938278600.db2.gz PLZHOERBGOLKQC-YMAMQOFZSA-N 1 1 267.413 3.443 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC001560901200 938283046 /nfs/dbraw/zinc/28/30/46/938283046.db2.gz NOCQXXKDMBNWSE-INIZCTEOSA-N 1 1 270.420 3.296 20 30 CGEDMO C[C@]1(C[N@H+]2CCC[C@H](C#N)C2)C[C@@H]1c1ccccc1 ZINC001561004439 938288910 /nfs/dbraw/zinc/28/89/10/938288910.db2.gz ZCPPLHWFJUUNBD-DJIMGWMZSA-N 1 1 254.377 3.416 20 30 CGEDMO C[C@@H]1C[C@H](C)CC[N@@H+](Cc2cc(C#N)ccc2N(C)C)C1 ZINC001561012218 938289445 /nfs/dbraw/zinc/28/94/45/938289445.db2.gz IGFOOZHYSVWAGW-HUUCEWRRSA-N 1 1 285.435 3.492 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)c1ccc(F)c(Cl)c1 ZINC001480997162 957701338 /nfs/dbraw/zinc/70/13/38/957701338.db2.gz SALYVTBUAWMXEE-UHFFFAOYSA-N 1 1 298.789 3.107 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)CC1CC1 ZINC001230607854 957847986 /nfs/dbraw/zinc/84/79/86/957847986.db2.gz HNNDHPMVEDXTSS-MRXNPFEDSA-N 1 1 280.456 3.290 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C)CCC)C1 ZINC001494809073 957851725 /nfs/dbraw/zinc/85/17/25/957851725.db2.gz USRMGAXVXLUUML-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)C(C)(C)CC ZINC001317429746 960432486 /nfs/dbraw/zinc/43/24/86/960432486.db2.gz LFOVLFCWJQTJSZ-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCNC(=O)[C@H]1CCC[C@@H]1CC ZINC001566488163 960560618 /nfs/dbraw/zinc/56/06/18/960560618.db2.gz IUIWQEDZIWDPIX-HOTGVXAUSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(CC(C)C)CCC1 ZINC001565822124 960830123 /nfs/dbraw/zinc/83/01/23/960830123.db2.gz YPYWGWUNSOASTO-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C1(C)CCC1 ZINC001565822274 960830423 /nfs/dbraw/zinc/83/04/23/960830423.db2.gz BYZCACFYPLRMJQ-CABCVRRESA-N 1 1 278.440 3.064 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1CC[N@@H+](CC2CCC2)[C@@H]1CC ZINC001566021566 960864657 /nfs/dbraw/zinc/86/46/57/960864657.db2.gz ICABLGHBTZNVHE-JZXOWHBKSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC2CCC2)[C@@H]1CC ZINC001566022470 960865412 /nfs/dbraw/zinc/86/54/12/960865412.db2.gz QNMLEVRILFPMJT-JKSUJKDBSA-N 1 1 292.467 3.358 20 30 CGEDMO C#CCCCCC(=O)N[C@H]1CC[N@@H+](CCC(C)C)[C@@H]1CC ZINC001566011253 960871862 /nfs/dbraw/zinc/87/18/62/960871862.db2.gz ZADYEZJHRPHVLE-DLBZAZTESA-N 1 1 292.467 3.195 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)/C(C)=C/C ZINC001566120030 960886527 /nfs/dbraw/zinc/88/65/27/960886527.db2.gz VCJAARVUASAMAF-CLUXPMKYSA-N 1 1 284.831 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@@H]1CCCCN1C(=O)/C(C)=C/C ZINC001566120030 960886549 /nfs/dbraw/zinc/88/65/49/960886549.db2.gz VCJAARVUASAMAF-CLUXPMKYSA-N 1 1 284.831 3.018 20 30 CGEDMO C=CCC[N@@H+](C)CCCNC(=O)c1csc(Cl)c1 ZINC001566497782 960942074 /nfs/dbraw/zinc/94/20/74/960942074.db2.gz GYKBZMFNQURISQ-UHFFFAOYSA-N 1 1 286.828 3.029 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)C1C[C@H](C)C[C@@H](C)C1 ZINC001566577064 960957799 /nfs/dbraw/zinc/95/77/99/960957799.db2.gz KZKFKOZSGUDTNN-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C[C@H](CC)C(C)C)C1 ZINC001566679435 960988433 /nfs/dbraw/zinc/98/84/33/960988433.db2.gz UASJUTUOWVJPRI-JKSUJKDBSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)CC2(C=C)CCCCC2)C1 ZINC001566674736 960989734 /nfs/dbraw/zinc/98/97/34/960989734.db2.gz ANGDQCCHESDLQP-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H](C[N@@H+](C)CCC(=C)C)C1 ZINC001566741600 960994205 /nfs/dbraw/zinc/99/42/05/960994205.db2.gz GGGJOYYNVBXVDD-KRWDZBQOSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)/C(C)=C/C)C1 ZINC001566824811 961026156 /nfs/dbraw/zinc/02/61/56/961026156.db2.gz NCDGHNOWQVLXPR-KTHYOXIYSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCCCC)C1 ZINC001566958495 961067607 /nfs/dbraw/zinc/06/76/07/961067607.db2.gz QBMIHSGTWXDYJL-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)C(=C)C)C1 ZINC001567195964 961141831 /nfs/dbraw/zinc/14/18/31/961141831.db2.gz FTUBKALHGSIXAM-MRXNPFEDSA-N 1 1 292.467 3.478 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)C=C(CC)CC ZINC001567247499 961157658 /nfs/dbraw/zinc/15/76/58/961157658.db2.gz MCCILAKQMYPXBG-KRWDZBQOSA-N 1 1 290.451 3.117 20 30 CGEDMO C=CC(C)(C)CC(=O)NCC[N@H+](C)[C@@H](C)c1ccccc1 ZINC001567284258 961264234 /nfs/dbraw/zinc/26/42/34/961264234.db2.gz ZYYXEJCBWBDQDT-HNNXBMFYSA-N 1 1 288.435 3.398 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)c1cc(C)cs1 ZINC001567331644 961295694 /nfs/dbraw/zinc/29/56/94/961295694.db2.gz DIRGQUWOSKKKJH-AWEZNQCLSA-N 1 1 294.464 3.463 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)c1ccsc1 ZINC001567379100 961314112 /nfs/dbraw/zinc/31/41/12/961314112.db2.gz NZMMTNLTTCHXBO-ZFWWWQNUSA-N 1 1 292.448 3.008 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](CNC(=O)C(C)=C2CCC2)C1 ZINC001567399858 961320249 /nfs/dbraw/zinc/32/02/49/961320249.db2.gz DFNGIYMLBVEWBM-GOEBONIOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@@H+](CCNC(=O)c1cccc(C)c1)C1CC1 ZINC001567437120 961336070 /nfs/dbraw/zinc/33/60/70/961336070.db2.gz ROKQEXVFKKMRNH-UHFFFAOYSA-N 1 1 286.419 3.155 20 30 CGEDMO C=CCCC[N@H+](CCNC(=O)c1cc(C)oc1C)C1CC1 ZINC001567437185 961345513 /nfs/dbraw/zinc/34/55/13/961345513.db2.gz UHAIBYKTJSQHFY-UHFFFAOYSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CCNC(=O)[C@H]1CCC1(C)C)C1CC1 ZINC001567448183 961351514 /nfs/dbraw/zinc/35/15/14/961351514.db2.gz GWFRXJOLBHOZDW-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)C1CCC(=C)CC1)C(C)C ZINC001567648635 961377615 /nfs/dbraw/zinc/37/76/15/961377615.db2.gz BEYQSXUCPMJCBQ-UHFFFAOYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](F)CC ZINC001567674117 961389887 /nfs/dbraw/zinc/38/98/87/961389887.db2.gz VGXMLIOSAJYCDL-YHUYYLMFSA-N 1 1 296.430 3.012 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](F)CC ZINC001567674117 961389901 /nfs/dbraw/zinc/38/99/01/961389901.db2.gz VGXMLIOSAJYCDL-YHUYYLMFSA-N 1 1 296.430 3.012 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H](CC)CC(C)C)C1 ZINC001567711370 961406981 /nfs/dbraw/zinc/40/69/81/961406981.db2.gz ACFNWLZWWWILGA-HOTGVXAUSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](CCNC(=O)c2sccc2Cl)C1 ZINC001567699426 961409696 /nfs/dbraw/zinc/40/96/96/961409696.db2.gz LFPHENMOHFHUMM-LLVKDONJSA-N 1 1 298.839 3.029 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC001567722377 961414216 /nfs/dbraw/zinc/41/42/16/961414216.db2.gz IVQRYWGMAPIJHO-IAGOWNOFSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)CC(C)C)C1 ZINC001567769046 961422374 /nfs/dbraw/zinc/42/23/74/961422374.db2.gz ZPUPEHACKOPMOF-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CCCCCCC(=O)N[C@H]1CCC[N@H+](CCC(C)C)C1 ZINC001567776382 961429272 /nfs/dbraw/zinc/42/92/72/961429272.db2.gz MCZFBLWXRIFXKZ-KRWDZBQOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCCCC ZINC001567861159 961443418 /nfs/dbraw/zinc/44/34/18/961443418.db2.gz LNCCPGWVJZBGDE-BQFCYCMXSA-N 1 1 292.467 3.454 20 30 CGEDMO C#CCCCC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC001567872541 961445778 /nfs/dbraw/zinc/44/57/78/961445778.db2.gz ALTMGDWFMHHTCZ-WMZOPIPTSA-N 1 1 298.430 3.050 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)c2ccc(C)s2)C1 ZINC001567868439 961447307 /nfs/dbraw/zinc/44/73/07/961447307.db2.gz WMZVNAGPEDWPRX-JSGCOSHPSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[N@H+](CCCCCF)C2)CCC1 ZINC001567895907 961449926 /nfs/dbraw/zinc/44/99/26/961449926.db2.gz YUMZWMPUWXOCHQ-OAHLLOKOSA-N 1 1 296.430 3.063 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC001567874170 961454114 /nfs/dbraw/zinc/45/41/14/961454114.db2.gz NNSHJYIBUJRKTD-KRWDZBQOSA-N 1 1 286.419 3.042 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCCCC)C1 ZINC001568513228 961606445 /nfs/dbraw/zinc/60/64/45/961606445.db2.gz IPULGKPTWBQSFR-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)CCN(C)C(=O)C[C@@H]1CCCCC1(C)C ZINC001568506428 961609216 /nfs/dbraw/zinc/60/92/16/961609216.db2.gz JFENTSZDELZUFH-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCCCCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001568787480 961646041 /nfs/dbraw/zinc/64/60/41/961646041.db2.gz IFSBSHBPYUDQNH-HZPDHXFCSA-N 1 1 278.440 3.256 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H](C)C[NH2+]C/C(Cl)=C/Cl ZINC001569075870 961679890 /nfs/dbraw/zinc/67/98/90/961679890.db2.gz HXASJFZJCUOEJV-JUQUSQLXSA-N 1 1 293.238 3.002 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc(C)cc1Cl ZINC001569139694 961698247 /nfs/dbraw/zinc/69/82/47/961698247.db2.gz RSAXLESECMAJOJ-CYBMUJFWSA-N 1 1 294.826 3.275 20 30 CGEDMO C=CCCC(=O)N1CCC([N@@H+](CCC)CC2CC2)CC1 ZINC001569452307 961771087 /nfs/dbraw/zinc/77/10/87/961771087.db2.gz QOVZDBXJLZBFPX-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO CCCC[N@@H+](CCNC(=O)[C@H](C)C#N)C1CCCCCC1 ZINC001569448708 961771332 /nfs/dbraw/zinc/77/13/32/961771332.db2.gz ZWISTFKDMPCHLB-OAHLLOKOSA-N 1 1 293.455 3.087 20 30 CGEDMO C=C(C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CC[N@@H+](CCF)C1 ZINC001569437266 961772157 /nfs/dbraw/zinc/77/21/57/961772157.db2.gz RTTZLMIXIFYDLH-HZPDHXFCSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@](C)(NC(=O)C2CCC(F)CC2)C1 ZINC001569646393 961814481 /nfs/dbraw/zinc/81/44/81/961814481.db2.gz JFSPRFSCCSOKAG-DQPZFDDXSA-N 1 1 296.430 3.062 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)C[C@@H](C)CCC)C1 ZINC001569711363 961827461 /nfs/dbraw/zinc/82/74/61/961827461.db2.gz BETCKDGFZPWBIP-FUHWJXTLSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CN(C(=O)C(C)(C)CC(C)(C)C)C[C@H]2C1 ZINC001569882540 961864651 /nfs/dbraw/zinc/86/46/51/961864651.db2.gz UYGIJALVHMIPCP-GASCZTMLSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC1(C)CC1 ZINC001569915047 961867567 /nfs/dbraw/zinc/86/75/67/961867567.db2.gz MXEDTSKBFOBAQJ-HOTGVXAUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC23CCC3)CC1 ZINC001570184189 961922565 /nfs/dbraw/zinc/92/25/65/961922565.db2.gz YSJUIZITTUPJDH-CVEARBPZSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[N@H+](C[C@H](F)CC)CC1(C)C ZINC001570395579 961956138 /nfs/dbraw/zinc/95/61/38/961956138.db2.gz MCTKZVOEZVBBFC-ZIAGYGMSSA-N 1 1 298.446 3.163 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](C[C@@H](F)CC)CC1(C)C ZINC001570395576 961959572 /nfs/dbraw/zinc/95/95/72/961959572.db2.gz MCTKZVOEZVBBFC-KBPBESRZSA-N 1 1 298.446 3.163 20 30 CGEDMO C#CCCCCCC(=O)N[C@H]1CC[N@H+](CCCC)[C@@H](C)C1 ZINC001570440720 961967477 /nfs/dbraw/zinc/96/74/77/961967477.db2.gz OEWWIRDTLURJHB-IRXDYDNUSA-N 1 1 292.467 3.339 20 30 CGEDMO C=C/C(C)=C/CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC(=C)Cl ZINC001570539071 961983921 /nfs/dbraw/zinc/98/39/21/961983921.db2.gz XHPYJBQQPNXDDI-XETPBLJFSA-N 1 1 296.842 3.184 20 30 CGEDMO C=C/C(C)=C/CC(=O)N1CCC[C@@H]1C[N@H+](C)CC(=C)Cl ZINC001570539071 961983935 /nfs/dbraw/zinc/98/39/35/961983935.db2.gz XHPYJBQQPNXDDI-XETPBLJFSA-N 1 1 296.842 3.184 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)C1CCCC1 ZINC001570522185 961988459 /nfs/dbraw/zinc/98/84/59/961988459.db2.gz RSMGMCYOHRUYQF-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)CCCCC ZINC001570524638 961990035 /nfs/dbraw/zinc/99/00/35/961990035.db2.gz XOHSLENTCLVPSP-HNNXBMFYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)C1CCC2(CC2)CC1 ZINC001570536944 961992259 /nfs/dbraw/zinc/99/22/59/961992259.db2.gz VYICJIVBVNKNGP-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)CC1(C)CCCC1 ZINC001570530473 961993548 /nfs/dbraw/zinc/99/35/48/961993548.db2.gz LNFVOSXTRLOAME-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)c1ccc(Cl)cc1F ZINC001570722088 962053192 /nfs/dbraw/zinc/05/31/92/962053192.db2.gz MGVGXNFGVNGSAW-NSHDSACASA-N 1 1 298.789 3.105 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)C1(C)CCCCC1 ZINC001570733933 962065017 /nfs/dbraw/zinc/06/50/17/962065017.db2.gz JVZOLNBITNERIT-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCCC(=O)N[C@@]12CCC[C@H]1[N@@H+](CCC(=C)C)CC2 ZINC001571503718 962173489 /nfs/dbraw/zinc/17/34/89/962173489.db2.gz UXZBZVANMBIPCS-SJLPKXTDSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)[C@H]1CCCC12CC2)C(C)C ZINC001571612839 962189252 /nfs/dbraw/zinc/18/92/52/962189252.db2.gz AQGUIDLBWBFHQN-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@@H](C)CC)CC1 ZINC001571647069 962205827 /nfs/dbraw/zinc/20/58/27/962205827.db2.gz SFSDBDOIINLKQE-AAEUAGOBSA-N 1 1 286.847 3.002 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1ccc(C)c(-c2nn[nH]n2)c1 ZINC001573335030 962242869 /nfs/dbraw/zinc/24/28/69/962242869.db2.gz VGAYLPDRQGNYIP-OAHLLOKOSA-N 1 1 297.406 3.106 20 30 CGEDMO C#CCN(CCC1C[C@H](C)C[C@@H](C)C1)C1CC[NH2+]CC1 ZINC001574667134 962308002 /nfs/dbraw/zinc/30/80/02/962308002.db2.gz NBQYUZKAXUFHSY-HZPDHXFCSA-N 1 1 276.468 3.136 20 30 CGEDMO C#CC[C@]1(C(=O)O[C@@H](C)c2cc3ccccc3o2)CCC[NH2+]1 ZINC001574525530 962308249 /nfs/dbraw/zinc/30/82/49/962308249.db2.gz MDICDRDPMJPOGE-SCLBCKFNSA-N 1 1 297.354 3.183 20 30 CGEDMO N#Cc1c(F)cccc1C[NH+]1CCC(C2CC2)CC1 ZINC000590008698 346821703 /nfs/dbraw/zinc/82/17/03/346821703.db2.gz VCRPTBYGVRGZIM-UHFFFAOYSA-N 1 1 258.340 3.319 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](c3ccccn3)C2)c1 ZINC000590601897 346854145 /nfs/dbraw/zinc/85/41/45/346854145.db2.gz SOUATPXGUWFQAY-KRWDZBQOSA-N 1 1 277.371 3.333 20 30 CGEDMO C[N@H+](Cc1cc2cc(Cl)cnc2o1)CC(C)(C)C#N ZINC000590654514 346859891 /nfs/dbraw/zinc/85/98/91/346859891.db2.gz VCXVVZGUUIKSMS-UHFFFAOYSA-N 1 1 277.755 3.463 20 30 CGEDMO C[N@@H+](Cc1cc2cc(Cl)cnc2o1)CC(C)(C)C#N ZINC000590654514 346859893 /nfs/dbraw/zinc/85/98/93/346859893.db2.gz VCXVVZGUUIKSMS-UHFFFAOYSA-N 1 1 277.755 3.463 20 30 CGEDMO COc1cccc2c1C[N@@H+](CC(C)(C)CCC#N)CC2 ZINC000590660564 346860511 /nfs/dbraw/zinc/86/05/11/346860511.db2.gz LFGDZVMUKGEYDA-UHFFFAOYSA-N 1 1 272.392 3.383 20 30 CGEDMO C=CC[C@H]1CCCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000622144528 349637287 /nfs/dbraw/zinc/63/72/87/349637287.db2.gz LICMEVOECQXXBY-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2C)C12CCC2 ZINC000590761958 346872788 /nfs/dbraw/zinc/87/27/88/346872788.db2.gz HCYODAIYBPYDMN-SJORKVTESA-N 1 1 284.403 3.256 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000590952454 346889989 /nfs/dbraw/zinc/88/99/89/346889989.db2.gz BSCBBZNMDLGZAF-CYBMUJFWSA-N 1 1 297.314 3.049 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000590952454 346889993 /nfs/dbraw/zinc/88/99/93/346889993.db2.gz BSCBBZNMDLGZAF-CYBMUJFWSA-N 1 1 297.314 3.049 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000590952455 346890043 /nfs/dbraw/zinc/89/00/43/346890043.db2.gz BSCBBZNMDLGZAF-ZDUSSCGKSA-N 1 1 297.314 3.049 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000590952455 346890047 /nfs/dbraw/zinc/89/00/47/346890047.db2.gz BSCBBZNMDLGZAF-ZDUSSCGKSA-N 1 1 297.314 3.049 20 30 CGEDMO CO[C@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)CC1 ZINC000591026599 346895835 /nfs/dbraw/zinc/89/58/35/346895835.db2.gz CFLFQJBEFYLFHH-HNNXBMFYSA-N 1 1 264.413 3.351 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](C3CCC3)C2)cc1F ZINC000591063384 346898242 /nfs/dbraw/zinc/89/82/42/346898242.db2.gz SRUCUFQKWJTVON-OAHLLOKOSA-N 1 1 258.340 3.319 20 30 CGEDMO CC[C@@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(C#N)cc1 ZINC000591583000 346930285 /nfs/dbraw/zinc/93/02/85/346930285.db2.gz ZKKYGWXPFYQCDV-IAGOWNOFSA-N 1 1 283.419 3.274 20 30 CGEDMO CC[C@H](N[C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(C#N)cc1 ZINC000591583001 346929887 /nfs/dbraw/zinc/92/98/87/346929887.db2.gz ZKKYGWXPFYQCDV-IRXDYDNUSA-N 1 1 283.419 3.274 20 30 CGEDMO CCc1nn(C)cc1C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000591839100 346941998 /nfs/dbraw/zinc/94/19/98/346941998.db2.gz IPBCJYGTQLGBAQ-ZDUSSCGKSA-N 1 1 282.391 3.047 20 30 CGEDMO CCc1ccc([C@H](CO)[NH2+]Cc2cc(C#N)ccc2F)cc1 ZINC000359620675 529724228 /nfs/dbraw/zinc/72/42/28/529724228.db2.gz ZHTGBGQCZVKRJF-SFHVURJKSA-N 1 1 298.361 3.083 20 30 CGEDMO N#Cc1cnccc1C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000592055242 346958184 /nfs/dbraw/zinc/95/81/84/346958184.db2.gz KYLQFGJVEDCUEC-QGZVFWFLSA-N 1 1 263.344 3.290 20 30 CGEDMO N#Cc1cnccc1C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000592055242 346958186 /nfs/dbraw/zinc/95/81/86/346958186.db2.gz KYLQFGJVEDCUEC-QGZVFWFLSA-N 1 1 263.344 3.290 20 30 CGEDMO C[N@@H+]1CC[C@H](NCc2ccccc2C#N)[C@@H]1c1ccccc1 ZINC000366989016 529806604 /nfs/dbraw/zinc/80/66/04/529806604.db2.gz VQNFAQCWGJVNAM-OALUTQOASA-N 1 1 291.398 3.093 20 30 CGEDMO C[N@H+]1CC[C@H](NCc2ccccc2C#N)[C@@H]1c1ccccc1 ZINC000366989016 529806605 /nfs/dbraw/zinc/80/66/05/529806605.db2.gz VQNFAQCWGJVNAM-OALUTQOASA-N 1 1 291.398 3.093 20 30 CGEDMO C[N@H+](Cc1ccncc1C#N)[C@@H]1CCc2ccccc21 ZINC000592059364 346958414 /nfs/dbraw/zinc/95/84/14/346958414.db2.gz LHZRSCVSOWQPDH-QGZVFWFLSA-N 1 1 263.344 3.073 20 30 CGEDMO C[N@@H+](Cc1ccncc1C#N)[C@@H]1CCc2ccccc21 ZINC000592059364 346958419 /nfs/dbraw/zinc/95/84/19/346958419.db2.gz LHZRSCVSOWQPDH-QGZVFWFLSA-N 1 1 263.344 3.073 20 30 CGEDMO Cc1ccccc1[C@@H]1CC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592066739 346959184 /nfs/dbraw/zinc/95/91/84/346959184.db2.gz NPLGNRRXSPOLID-MRXNPFEDSA-N 1 1 277.371 3.251 20 30 CGEDMO N#Cc1cccc(NC(=O)C[N@H+]2CCCC[C@H]2C2CCC2)c1 ZINC000592197795 346971372 /nfs/dbraw/zinc/97/13/72/346971372.db2.gz KIFJSLKKTADUHB-KRWDZBQOSA-N 1 1 297.402 3.151 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000592182468 346970077 /nfs/dbraw/zinc/97/00/77/346970077.db2.gz AXJUNNVOPDVRPL-OAHLLOKOSA-N 1 1 284.403 3.258 20 30 CGEDMO C[C@@H]1CC2(C[N@H+]1CCCC(C)(C)C#N)CCOCC2 ZINC000592182719 346970272 /nfs/dbraw/zinc/97/02/72/346970272.db2.gz QIGVWSYYKGOVFN-CQSZACIVSA-N 1 1 264.413 3.207 20 30 CGEDMO C[N@H+](CCC#N)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000347480051 529869891 /nfs/dbraw/zinc/86/98/91/529869891.db2.gz SGFVTXXTYGGSTR-LSDHHAIUSA-N 1 1 258.365 3.078 20 30 CGEDMO C[N@@H+](CCC#N)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000347480051 529869892 /nfs/dbraw/zinc/86/98/92/529869892.db2.gz SGFVTXXTYGGSTR-LSDHHAIUSA-N 1 1 258.365 3.078 20 30 CGEDMO C[N@@H+](CCCNc1cnccc1C#N)C1CCCCC1 ZINC000135787396 529892145 /nfs/dbraw/zinc/89/21/45/529892145.db2.gz MMNZZFKZNAFDOP-UHFFFAOYSA-N 1 1 272.396 3.020 20 30 CGEDMO C=CCCC[C@@H](C)NC(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000623856262 349897155 /nfs/dbraw/zinc/89/71/55/349897155.db2.gz QLWNIJAUCFBJPO-GDBMZVCRSA-N 1 1 293.455 3.047 20 30 CGEDMO CCN(C[C@H]1CCC[N@H+]1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000592999971 347026080 /nfs/dbraw/zinc/02/60/80/347026080.db2.gz WTXCLCPQKOJXAN-WMLDXEAASA-N 1 1 271.408 3.035 20 30 CGEDMO CC[N@H+](C[C@H]1CCCN1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000592999971 347026082 /nfs/dbraw/zinc/02/60/82/347026082.db2.gz WTXCLCPQKOJXAN-WMLDXEAASA-N 1 1 271.408 3.035 20 30 CGEDMO CC[N@@H+](C[C@H]1CCCN1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000592999971 347026085 /nfs/dbraw/zinc/02/60/85/347026085.db2.gz WTXCLCPQKOJXAN-WMLDXEAASA-N 1 1 271.408 3.035 20 30 CGEDMO CC[C@@H](OCC[N@H+](C)[C@H](C)CC#N)c1ccccc1 ZINC000593015092 347028004 /nfs/dbraw/zinc/02/80/04/347028004.db2.gz MQADVUOYVIPXEH-GDBMZVCRSA-N 1 1 260.381 3.388 20 30 CGEDMO CC[C@@H](OCC[N@@H+](C)[C@H](C)CC#N)c1ccccc1 ZINC000593015092 347028007 /nfs/dbraw/zinc/02/80/07/347028007.db2.gz MQADVUOYVIPXEH-GDBMZVCRSA-N 1 1 260.381 3.388 20 30 CGEDMO C[C@]1(c2cccc(F)c2)CC[N@@H+](CCCCC#N)C1 ZINC000593046856 347032016 /nfs/dbraw/zinc/03/20/16/347032016.db2.gz UFAOCBODKBLRBW-INIZCTEOSA-N 1 1 260.356 3.483 20 30 CGEDMO CC(C)O[C@@H]1CCC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000593054308 347033621 /nfs/dbraw/zinc/03/36/21/347033621.db2.gz VPPPKEWWFJVCMF-CQSZACIVSA-N 1 1 276.355 3.087 20 30 CGEDMO CC(C)O[C@@H]1CCC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000593054308 347033626 /nfs/dbraw/zinc/03/36/26/347033626.db2.gz VPPPKEWWFJVCMF-CQSZACIVSA-N 1 1 276.355 3.087 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccnc(C#N)c2)CCc2ccc(F)cc21 ZINC000593116297 347041375 /nfs/dbraw/zinc/04/13/75/347041375.db2.gz JSSWXCNPWVRODQ-ZDUSSCGKSA-N 1 1 295.361 3.254 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1OC(F)F)CC1CC1 ZINC000437400750 529984122 /nfs/dbraw/zinc/98/41/22/529984122.db2.gz PELZHLWOIOTDQC-UHFFFAOYSA-N 1 1 266.291 3.001 20 30 CGEDMO C[N@H+]1CCCC[C@H]1CCC(=O)Nc1cnn(C(C)(C)C)c1 ZINC000330344044 530052840 /nfs/dbraw/zinc/05/28/40/530052840.db2.gz CMVWIDUXNYWFGW-AWEZNQCLSA-N 1 1 292.427 3.491 20 30 CGEDMO C[C@H]([N@@H+](C)CCC(=O)Nc1ccccc1C#N)C(C)(C)C ZINC000042763898 344987116 /nfs/dbraw/zinc/98/71/16/344987116.db2.gz DMFWOFWUHRFQSS-ZDUSSCGKSA-N 1 1 287.407 3.253 20 30 CGEDMO CC(C)[N@@H+](CCOc1ccc(C#N)cc1)Cc1ccccn1 ZINC000048273034 345064224 /nfs/dbraw/zinc/06/42/24/345064224.db2.gz IBKCWBSJMNVJFW-UHFFFAOYSA-N 1 1 295.386 3.243 20 30 CGEDMO C[N@@H+](CCNc1cccc(F)c1C#N)Cc1ccccc1 ZINC000064916308 345266647 /nfs/dbraw/zinc/26/66/47/345266647.db2.gz CYPGLZUIXKLPKZ-UHFFFAOYSA-N 1 1 283.350 3.241 20 30 CGEDMO CC(C)[C@H](C)[N@H+]1Cc2cccc(N[C@@H](C)C#N)c2C1 ZINC000069165382 260259905 /nfs/dbraw/zinc/25/99/05/260259905.db2.gz VOZPHDKSBAHGPE-STQMWFEESA-N 1 1 257.381 3.371 20 30 CGEDMO C[C@@H]1C[NH+](Cc2cn3ccccc3c2C#N)C[C@@H](C)S1 ZINC000075891815 345526387 /nfs/dbraw/zinc/52/63/87/345526387.db2.gz NGGNVFMPYWXYOI-CHWSQXEVSA-N 1 1 285.416 3.137 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000076152762 345535348 /nfs/dbraw/zinc/53/53/48/345535348.db2.gz YUDNYHDUMWOPAI-ROUUACIJSA-N 1 1 277.371 3.353 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000076152762 345535349 /nfs/dbraw/zinc/53/53/49/345535349.db2.gz YUDNYHDUMWOPAI-ROUUACIJSA-N 1 1 277.371 3.353 20 30 CGEDMO C=CCCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000076734433 345548459 /nfs/dbraw/zinc/54/84/59/345548459.db2.gz ZEZLTFINBUXFJO-CYBMUJFWSA-N 1 1 288.391 3.114 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000076734433 345548462 /nfs/dbraw/zinc/54/84/62/345548462.db2.gz ZEZLTFINBUXFJO-CYBMUJFWSA-N 1 1 288.391 3.114 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000076758756 345549188 /nfs/dbraw/zinc/54/91/88/345549188.db2.gz AYXSASMQJDABPM-CQSZACIVSA-N 1 1 269.348 3.450 20 30 CGEDMO C=CC[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000076758756 345549189 /nfs/dbraw/zinc/54/91/89/345549189.db2.gz AYXSASMQJDABPM-CQSZACIVSA-N 1 1 269.348 3.450 20 30 CGEDMO C=CCC[N@@H+]1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000077371797 345571061 /nfs/dbraw/zinc/57/10/61/345571061.db2.gz VRMBXDWNHAJKQS-INIZCTEOSA-N 1 1 258.409 3.159 20 30 CGEDMO C=CCCN1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000077371797 345571064 /nfs/dbraw/zinc/57/10/64/345571064.db2.gz VRMBXDWNHAJKQS-INIZCTEOSA-N 1 1 258.409 3.159 20 30 CGEDMO C=CCCN1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000077371797 345571067 /nfs/dbraw/zinc/57/10/67/345571067.db2.gz VRMBXDWNHAJKQS-INIZCTEOSA-N 1 1 258.409 3.159 20 30 CGEDMO CCC[C@@H](C)[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075622786 345515459 /nfs/dbraw/zinc/51/54/59/345515459.db2.gz WRWBWWHZKAJCDN-GFCCVEGCSA-N 1 1 284.363 3.229 20 30 CGEDMO CC[N@H+]1CCN(c2ccc(C(F)(F)F)cc2C#N)C[C@@H]1C ZINC000110750655 345946812 /nfs/dbraw/zinc/94/68/12/345946812.db2.gz OTBVEEKKHQXHQL-NSHDSACASA-N 1 1 297.324 3.107 20 30 CGEDMO N#Cc1cccc(NC(=O)C[N@H+]2CCC3(C2)CCCCC3)c1 ZINC000130002479 346053678 /nfs/dbraw/zinc/05/36/78/346053678.db2.gz ICHRPEJHGCHIEM-UHFFFAOYSA-N 1 1 297.402 3.153 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CCCC[C@H]2C)c1C#N ZINC000131589497 346066836 /nfs/dbraw/zinc/06/68/36/346066836.db2.gz KROGPPDEXHQTEN-CQSZACIVSA-N 1 1 294.402 3.427 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCCC[C@H]2C)c1C#N ZINC000131589497 346066840 /nfs/dbraw/zinc/06/68/40/346066840.db2.gz KROGPPDEXHQTEN-CQSZACIVSA-N 1 1 294.402 3.427 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1F)C1Cc2ccccc2C1 ZINC000141186897 346107750 /nfs/dbraw/zinc/10/77/50/346107750.db2.gz TWPJAUTXTKSUPX-UHFFFAOYSA-N 1 1 280.346 3.297 20 30 CGEDMO CCOc1ccc(OCC[N@H+](CCC#N)CC2CC2)cc1 ZINC000174698489 346245436 /nfs/dbraw/zinc/24/54/36/346245436.db2.gz UNHFKQMXLJRHMR-UHFFFAOYSA-N 1 1 288.391 3.090 20 30 CGEDMO CCOc1ccc(OCC[N@@H+](CCC#N)CC2CC2)cc1 ZINC000174698489 346245438 /nfs/dbraw/zinc/24/54/38/346245438.db2.gz UNHFKQMXLJRHMR-UHFFFAOYSA-N 1 1 288.391 3.090 20 30 CGEDMO C#C[C@H](C)[NH2+]Cc1cc(Br)ccc1Cl ZINC000235519394 346336326 /nfs/dbraw/zinc/33/63/26/346336326.db2.gz ZMUHXSGVIAJNNN-QMMMGPOBSA-N 1 1 272.573 3.214 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCC[C@H]1O ZINC000270413877 346411135 /nfs/dbraw/zinc/41/11/35/346411135.db2.gz FDAINXIQCJQDQH-IAGOWNOFSA-N 1 1 272.392 3.074 20 30 CGEDMO N#CCSCCC[N@H+]1CCc2c(Cl)cc(F)cc2C1 ZINC000295729498 346434087 /nfs/dbraw/zinc/43/40/87/346434087.db2.gz OSLGAZQQEUAIKQ-UHFFFAOYSA-N 1 1 298.814 3.484 20 30 CGEDMO N#CCSCCC[N@@H+]1CCc2c(Cl)cc(F)cc2C1 ZINC000295729498 346434089 /nfs/dbraw/zinc/43/40/89/346434089.db2.gz OSLGAZQQEUAIKQ-UHFFFAOYSA-N 1 1 298.814 3.484 20 30 CGEDMO CC[N@H+]1CCCN(Cc2ccc(C#N)cc2Cl)[C@H](C)C1 ZINC000320714144 346489733 /nfs/dbraw/zinc/48/97/33/346489733.db2.gz QIHGEGXPXLPNHT-CYBMUJFWSA-N 1 1 291.826 3.128 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@]3(C2)CCCOC3)cc1 ZINC000585756359 346729420 /nfs/dbraw/zinc/72/94/20/346729420.db2.gz YKHKZRVNFWYSND-IBGZPJMESA-N 1 1 298.430 3.490 20 30 CGEDMO CCCCCCCCC[N@H+]1CCC[C@H](NC(C)=O)C1 ZINC000584590866 346685378 /nfs/dbraw/zinc/68/53/78/346685378.db2.gz GDIGOARUSWQFGA-INIZCTEOSA-N 1 1 268.445 3.338 20 30 CGEDMO C=CCN(Cc1cccs1)C(=O)C[N@H+](C)CC(C)(C)C ZINC000588901683 346773410 /nfs/dbraw/zinc/77/34/10/346773410.db2.gz WGQHXOUHCLDCCW-UHFFFAOYSA-N 1 1 294.464 3.241 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC=CCC2)c(C(F)(F)F)c1 ZINC000589510780 346799065 /nfs/dbraw/zinc/79/90/65/346799065.db2.gz NVBLIRJPRVLYSY-UHFFFAOYSA-N 1 1 266.266 3.339 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC=CCC2)c(C(F)(F)F)c1 ZINC000589510780 346799067 /nfs/dbraw/zinc/79/90/67/346799067.db2.gz NVBLIRJPRVLYSY-UHFFFAOYSA-N 1 1 266.266 3.339 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCC[C@@H](OC3CCC3)C2)cc1 ZINC000594021927 347138103 /nfs/dbraw/zinc/13/81/03/347138103.db2.gz ZVUQKKMZVRZGBB-GOSISDBHSA-N 1 1 284.403 3.286 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594026964 347139561 /nfs/dbraw/zinc/13/95/61/347139561.db2.gz RAPLMUJUOQMDNB-HNNXBMFYSA-N 1 1 264.413 3.350 20 30 CGEDMO CC1(C)CCCN(c2cc[nH+]c(NCC3(CC#N)CC3)n2)C1 ZINC000594576301 347194705 /nfs/dbraw/zinc/19/47/05/347194705.db2.gz GJYYXGHNRASOFY-UHFFFAOYSA-N 1 1 299.422 3.209 20 30 CGEDMO N#Cc1c(F)cccc1N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594604352 347201198 /nfs/dbraw/zinc/20/11/98/347201198.db2.gz YOKALNZERDNBQQ-HOTGVXAUSA-N 1 1 273.355 3.126 20 30 CGEDMO CC(C)(C#N)c1ccc(CNCCC[NH+]2CCCC2)cc1 ZINC000594494341 347177843 /nfs/dbraw/zinc/17/78/43/347177843.db2.gz YJZKKUSIHHVFGW-UHFFFAOYSA-N 1 1 285.435 3.063 20 30 CGEDMO N#Cc1ccc(COc2cc[nH+]c3c2CCCC3)cc1 ZINC000594493225 347177996 /nfs/dbraw/zinc/17/79/96/347177996.db2.gz HYJSFWIXGUWVRW-UHFFFAOYSA-N 1 1 264.328 3.411 20 30 CGEDMO C[C@H]1C[C@@H]([NH2+]C2(c3ccc(C#N)cc3)CCC2)c2nccn21 ZINC000594519048 347188262 /nfs/dbraw/zinc/18/82/62/347188262.db2.gz SCSCFMFUQBUSIO-XJKSGUPXSA-N 1 1 292.386 3.430 20 30 CGEDMO CCC[N@@H+]1CC[C@@H](NCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594992540 347250913 /nfs/dbraw/zinc/25/09/13/347250913.db2.gz UCFFPJVTQNVKBQ-QGZVFWFLSA-N 1 1 285.435 3.062 20 30 CGEDMO CCC[N@H+]1CC[C@@H](NCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594992540 347250918 /nfs/dbraw/zinc/25/09/18/347250918.db2.gz UCFFPJVTQNVKBQ-QGZVFWFLSA-N 1 1 285.435 3.062 20 30 CGEDMO CC(C)(C)[N@@H+]1CC[C@@H](NCc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594957598 347240762 /nfs/dbraw/zinc/24/07/62/347240762.db2.gz USMZUUXCRBSAAX-QGZVFWFLSA-N 1 1 297.446 3.204 20 30 CGEDMO CC(C)(C)[N@H+]1CC[C@@H](NCc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594957598 347240766 /nfs/dbraw/zinc/24/07/66/347240766.db2.gz USMZUUXCRBSAAX-QGZVFWFLSA-N 1 1 297.446 3.204 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CCCCC1)c1cncc(F)c1 ZINC000594980921 347248083 /nfs/dbraw/zinc/24/80/83/347248083.db2.gz CWYMUGSQDJFSGM-GFCCVEGCSA-N 1 1 261.344 3.345 20 30 CGEDMO N#C[C@@H]1CCC[C@@H](N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000595081200 347279360 /nfs/dbraw/zinc/27/93/60/347279360.db2.gz QXKMJANEQILWQG-BZUAXINKSA-N 1 1 275.440 3.065 20 30 CGEDMO N#C[C@@H]1CCC[C@@H](N[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000595081200 347279361 /nfs/dbraw/zinc/27/93/61/347279361.db2.gz QXKMJANEQILWQG-BZUAXINKSA-N 1 1 275.440 3.065 20 30 CGEDMO CC[C@@H](C)[N@H+](CC)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000595600220 347324386 /nfs/dbraw/zinc/32/43/86/347324386.db2.gz OCOAGBHMPZGEQG-LLVKDONJSA-N 1 1 261.325 3.087 20 30 CGEDMO CC[C@@H](C)[N@@H+](CC)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000595600220 347324387 /nfs/dbraw/zinc/32/43/87/347324387.db2.gz OCOAGBHMPZGEQG-LLVKDONJSA-N 1 1 261.325 3.087 20 30 CGEDMO Cc1ccc(C)c(OCC[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595610412 347326650 /nfs/dbraw/zinc/32/66/50/347326650.db2.gz YBNJJLISWKXKPS-INIZCTEOSA-N 1 1 272.392 3.308 20 30 CGEDMO Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595612416 347327161 /nfs/dbraw/zinc/32/71/61/347327161.db2.gz WNOIBDFIPDLMAU-HOTGVXAUSA-N 1 1 299.418 3.256 20 30 CGEDMO Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595612416 347327164 /nfs/dbraw/zinc/32/71/64/347327164.db2.gz WNOIBDFIPDLMAU-HOTGVXAUSA-N 1 1 299.418 3.256 20 30 CGEDMO CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595611991 347327755 /nfs/dbraw/zinc/32/77/55/347327755.db2.gz RASJQOPHDWCAMS-HUUCEWRRSA-N 1 1 299.418 3.202 20 30 CGEDMO CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595611991 347327759 /nfs/dbraw/zinc/32/77/59/347327759.db2.gz RASJQOPHDWCAMS-HUUCEWRRSA-N 1 1 299.418 3.202 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595616368 347327920 /nfs/dbraw/zinc/32/79/20/347327920.db2.gz BIYWLZIZLWZWEZ-DYVFJYSZSA-N 1 1 270.376 3.120 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCO[C@@](C)(C3CC3)C2)cc1 ZINC000595627194 347330203 /nfs/dbraw/zinc/33/02/03/347330203.db2.gz WSSFOTHNAKTARF-LJQANCHMSA-N 1 1 298.430 3.489 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595627465 347330431 /nfs/dbraw/zinc/33/04/31/347330431.db2.gz ZUOMPAXUVKDCIO-CXAGYDPISA-N 1 1 270.376 3.120 20 30 CGEDMO C[C@@H](CO)[C@H]1CCCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000595675341 347336333 /nfs/dbraw/zinc/33/63/33/347336333.db2.gz MICKSELDOZDPLV-JKSUJKDBSA-N 1 1 278.440 3.333 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](C(=O)OC)[C@@H]2CCCC[C@@H]21 ZINC000595733087 347348746 /nfs/dbraw/zinc/34/87/46/347348746.db2.gz QUEIRDRVLOXZIE-KKUMJFAQSA-N 1 1 265.397 3.006 20 30 CGEDMO N#Cc1cccc(OCC[N@@H+]2CCC[C@@H](CCF)C2)c1 ZINC000595756678 347351680 /nfs/dbraw/zinc/35/16/80/347351680.db2.gz VSLKYFDRDKHGQA-AWEZNQCLSA-N 1 1 276.355 3.009 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](CCF)C2)s1 ZINC000595756364 347351805 /nfs/dbraw/zinc/35/18/05/347351805.db2.gz UJXVWFNLMRSETH-NSHDSACASA-N 1 1 252.358 3.191 20 30 CGEDMO C=CC[N@H+](Cc1cc(C(=O)OC)c(C)o1)C(C)(C)C ZINC000595763992 347352387 /nfs/dbraw/zinc/35/23/87/347352387.db2.gz VASXGCHEIUCQGR-UHFFFAOYSA-N 1 1 265.353 3.161 20 30 CGEDMO COc1cccc([C@]2(C)CC[N@@H+](CCCCC#N)C2)c1 ZINC000595764308 347352692 /nfs/dbraw/zinc/35/26/92/347352692.db2.gz GQZKFVZUVRFOMR-QGZVFWFLSA-N 1 1 272.392 3.352 20 30 CGEDMO COc1cccc([C@@]2(C)CC[N@H+](C[C@H](C#N)CCC#N)C2)c1 ZINC000595771015 347353371 /nfs/dbraw/zinc/35/33/71/347353371.db2.gz YSHAFLLGPXNPMK-YJBOKZPZSA-N 1 1 297.402 3.102 20 30 CGEDMO COc1cccc([C@@]2(C)CC[N@@H+](C[C@H](C#N)CCC#N)C2)c1 ZINC000595771015 347353377 /nfs/dbraw/zinc/35/33/77/347353377.db2.gz YSHAFLLGPXNPMK-YJBOKZPZSA-N 1 1 297.402 3.102 20 30 CGEDMO CC(C)n1cc(C2=CCC[N@@H+](CCCCC#N)CC2)nn1 ZINC000595514339 347314428 /nfs/dbraw/zinc/31/44/28/347314428.db2.gz DADAVDWWEFCCQB-UHFFFAOYSA-N 1 1 287.411 3.032 20 30 CGEDMO CC[C@H](C)[N@@H+](CC)CC(=O)N(CCC#N)c1ccccc1 ZINC000595593658 347322870 /nfs/dbraw/zinc/32/28/70/347322870.db2.gz SFKXZMCVVSHIED-HNNXBMFYSA-N 1 1 287.407 3.054 20 30 CGEDMO N#Cc1ccc(C[NH+]2CCC(c3ccon3)CC2)cc1F ZINC000595828771 347361986 /nfs/dbraw/zinc/36/19/86/347361986.db2.gz LWYYCZUCADWTJR-UHFFFAOYSA-N 1 1 285.322 3.065 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1ccc(C#N)cc1 ZINC000595841542 347365606 /nfs/dbraw/zinc/36/56/06/347365606.db2.gz LYZIMEYLQPHQGP-IYBDPMFKSA-N 1 1 268.360 3.120 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1F ZINC000595844261 347366231 /nfs/dbraw/zinc/36/62/31/347366231.db2.gz COJMEQSPULIAOP-BETUJISGSA-N 1 1 276.311 3.417 20 30 CGEDMO N#CCSCCC[N@H+]1CC2CC1(c1ccccc1)C2 ZINC000595910022 347371631 /nfs/dbraw/zinc/37/16/31/347371631.db2.gz GFDJCTOEOVJNHT-UHFFFAOYSA-N 1 1 272.417 3.254 20 30 CGEDMO Cc1c(Cl)cnc(N[C@@H]2CC[N@H+](C(C)(C)C)C2)c1C#N ZINC000596337419 347423358 /nfs/dbraw/zinc/42/33/58/347423358.db2.gz WVPNAOAGYWOCHG-LLVKDONJSA-N 1 1 292.814 3.200 20 30 CGEDMO Cc1[nH+]ccn1CCCSCCc1ccc(C#N)cc1 ZINC000596367268 347435674 /nfs/dbraw/zinc/43/56/74/347435674.db2.gz QTSJSPKGKIWPIU-UHFFFAOYSA-N 1 1 285.416 3.429 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000596593727 347484069 /nfs/dbraw/zinc/48/40/69/347484069.db2.gz RMGFAKRVRJAMIM-CQSZACIVSA-N 1 1 257.381 3.404 20 30 CGEDMO CCOc1ccc(C[N@H+](CC)C[C@H](C)C#N)c(C)c1 ZINC000596990906 347524923 /nfs/dbraw/zinc/52/49/23/347524923.db2.gz GQNUVVRAUDHOKU-CYBMUJFWSA-N 1 1 260.381 3.375 20 30 CGEDMO CCOc1ccc(C[N@@H+](CC)C[C@H](C)C#N)c(C)c1 ZINC000596990906 347524926 /nfs/dbraw/zinc/52/49/26/347524926.db2.gz GQNUVVRAUDHOKU-CYBMUJFWSA-N 1 1 260.381 3.375 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3CCC4(C3)CCOCC4)cc2)CC1 ZINC000597027749 347528454 /nfs/dbraw/zinc/52/84/54/347528454.db2.gz WPJIAXRNADOTIP-UHFFFAOYSA-N 1 1 296.414 3.244 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3CCOCC34CCCC4)cc2)CC1 ZINC000597027312 347528488 /nfs/dbraw/zinc/52/84/88/347528488.db2.gz UREGRYSDNHQCQH-UHFFFAOYSA-N 1 1 296.414 3.387 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000597177965 347545302 /nfs/dbraw/zinc/54/53/02/347545302.db2.gz SPIRTLRYRNLTLV-CQSZACIVSA-N 1 1 298.365 3.137 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000597177965 347545304 /nfs/dbraw/zinc/54/53/04/347545304.db2.gz SPIRTLRYRNLTLV-CQSZACIVSA-N 1 1 298.365 3.137 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@@H]1F ZINC000597076456 347533126 /nfs/dbraw/zinc/53/31/26/347533126.db2.gz OKTRKLIOQGBNFC-BBRMVZONSA-N 1 1 272.367 3.422 20 30 CGEDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597108167 347535379 /nfs/dbraw/zinc/53/53/79/347535379.db2.gz BFRYPOOOKIVCGX-IIDMSEBBSA-N 1 1 298.430 3.223 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)[C@@H](C)[C@@H](C)O1 ZINC000597111517 347536147 /nfs/dbraw/zinc/53/61/47/347536147.db2.gz PYFKISFIZIIJJY-QLFBSQMISA-N 1 1 284.403 3.239 20 30 CGEDMO C[NH+](C)[C@H]1CCCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597114270 347536159 /nfs/dbraw/zinc/53/61/59/347536159.db2.gz DORFLEICXCGTLI-SFHVURJKSA-N 1 1 297.446 3.158 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)[C@H](C)[C@H](C)O1 ZINC000597111516 347536368 /nfs/dbraw/zinc/53/63/68/347536368.db2.gz PYFKISFIZIIJJY-KFWWJZLASA-N 1 1 284.403 3.239 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@H](C2CC2)O1 ZINC000597114878 347536536 /nfs/dbraw/zinc/53/65/36/347536536.db2.gz CGJKVDIABOLHQJ-RDTXWAMCSA-N 1 1 296.414 3.241 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2nccc3ccccc32)C1 ZINC000597173240 347543447 /nfs/dbraw/zinc/54/34/47/347543447.db2.gz HEVFLPBLPKVDFS-AWEZNQCLSA-N 1 1 265.360 3.360 20 30 CGEDMO Cc1cc(C[NH+]2CC(CC#N)C2)cc(C)c1OC(F)F ZINC000597193333 347547612 /nfs/dbraw/zinc/54/76/12/347547612.db2.gz PZWODQKDCNGYJH-UHFFFAOYSA-N 1 1 280.318 3.250 20 30 CGEDMO Cc1nccnc1C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000598679068 347677672 /nfs/dbraw/zinc/67/76/72/347677672.db2.gz PGVITIXXPMWBII-UHFFFAOYSA-N 1 1 294.402 3.315 20 30 CGEDMO C[C@@H]1C(=O)Nc2ccccc2C[N@H+]1CCCC(C)(C)C#N ZINC000598951109 347700174 /nfs/dbraw/zinc/70/01/74/347700174.db2.gz ZCLCGPJCFWLZNZ-CYBMUJFWSA-N 1 1 285.391 3.159 20 30 CGEDMO C[C@@H]1C(=O)Nc2ccccc2C[N@@H+]1CCCC(C)(C)C#N ZINC000598951109 347700177 /nfs/dbraw/zinc/70/01/77/347700177.db2.gz ZCLCGPJCFWLZNZ-CYBMUJFWSA-N 1 1 285.391 3.159 20 30 CGEDMO C[C@@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1ccc(C#N)cc1F ZINC000599068609 347714161 /nfs/dbraw/zinc/71/41/61/347714161.db2.gz AEENWWPTIXENEO-HIFRSBDPSA-N 1 1 289.398 3.080 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000598585258 347666669 /nfs/dbraw/zinc/66/66/69/347666669.db2.gz BCRGLAOKPMXHCH-CVEARBPZSA-N 1 1 278.440 3.332 20 30 CGEDMO C[N@H+](Cc1ccc(Cl)cc1)C[C@@H](O)CC(C)(C)C#N ZINC000598586829 347667011 /nfs/dbraw/zinc/66/70/11/347667011.db2.gz DZGPFVNWWKDGOL-AWEZNQCLSA-N 1 1 280.799 3.073 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000598594459 347668609 /nfs/dbraw/zinc/66/86/09/347668609.db2.gz KHYOWGYPIYSFDS-FUHWJXTLSA-N 1 1 298.430 3.439 20 30 CGEDMO C[C@H](c1ccco1)[N@@H+](C[C@H](O)CC(C)(C)C#N)C1CC1 ZINC000598598419 347669345 /nfs/dbraw/zinc/66/93/45/347669345.db2.gz RKJYKEZPOHLYKE-TZMCWYRMSA-N 1 1 276.380 3.106 20 30 CGEDMO CCc1noc(C)c1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678720 347765301 /nfs/dbraw/zinc/76/53/01/347765301.db2.gz LNBVLCHKGYVZEP-UHFFFAOYSA-N 1 1 295.386 3.170 20 30 CGEDMO CCc1noc(C)c1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678720 347765303 /nfs/dbraw/zinc/76/53/03/347765303.db2.gz LNBVLCHKGYVZEP-UHFFFAOYSA-N 1 1 295.386 3.170 20 30 CGEDMO C/C=C\C[C@H]1CCC[N@@H+](CCCSCC#N)C1 ZINC000599692443 347766585 /nfs/dbraw/zinc/76/65/85/347766585.db2.gz WVJMPGMFNNMTOZ-SFAKSCPVSA-N 1 1 252.427 3.311 20 30 CGEDMO Cc1ccc(C[N@H+](C)[C@H](CCO)c2ccccc2)cc1C#N ZINC000599300824 347733550 /nfs/dbraw/zinc/73/35/50/347733550.db2.gz XFRUNOLYLXQFAU-LJQANCHMSA-N 1 1 294.398 3.422 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)cc1C#N ZINC000599352582 347738080 /nfs/dbraw/zinc/73/80/80/347738080.db2.gz DHJOPPQHPICXPJ-DLBZAZTESA-N 1 1 286.419 3.096 20 30 CGEDMO Cc1ncc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)o1 ZINC000600111502 347780173 /nfs/dbraw/zinc/78/01/73/347780173.db2.gz IRCMJFSTUYFNSP-UHFFFAOYSA-N 1 1 269.348 3.265 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000599526300 347750431 /nfs/dbraw/zinc/75/04/31/347750431.db2.gz KCUKRSFHYDAKPQ-AWEZNQCLSA-N 1 1 294.358 3.006 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@H](C(=O)OC)[C@H]2CCC[C@@H]21 ZINC000599649168 347761326 /nfs/dbraw/zinc/76/13/26/347761326.db2.gz SBZIOQBUIZQWSW-ILXRZTDVSA-N 1 1 265.397 3.006 20 30 CGEDMO COc1cc(C[NH2+]CC2(C#N)CC2)cc(C(F)(F)F)c1 ZINC000600154133 347785649 /nfs/dbraw/zinc/78/56/49/347785649.db2.gz XJJSEPYOZVDRQS-UHFFFAOYSA-N 1 1 284.281 3.107 20 30 CGEDMO C[N@@H+](CCS[C@@H](C#N)C1CC1)Cc1ccccc1 ZINC000601081461 347865807 /nfs/dbraw/zinc/86/58/07/347865807.db2.gz NYFHKGSZAMZDNV-HNNXBMFYSA-N 1 1 260.406 3.154 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccnn2CC2CCC2)CCCCC1 ZINC000601132621 347873215 /nfs/dbraw/zinc/87/32/15/347873215.db2.gz LCJNAIJCNDLXGL-UHFFFAOYSA-N 1 1 286.423 3.247 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)n1)[C@H]1CCc2ccccc21 ZINC000602434417 347957460 /nfs/dbraw/zinc/95/74/60/347957460.db2.gz DTIPALBRZBIJJJ-KRWDZBQOSA-N 1 1 263.344 3.073 20 30 CGEDMO N#Cc1cccc(C[N@H+](Cc2cccs2)C2CC2)n1 ZINC000602438925 347958137 /nfs/dbraw/zinc/95/81/37/347958137.db2.gz DAQZSJWWRSQKEM-UHFFFAOYSA-N 1 1 269.373 3.179 20 30 CGEDMO N#Cc1cccc(C[N@@H+](Cc2cccs2)C2CC2)n1 ZINC000602438925 347958139 /nfs/dbraw/zinc/95/81/39/347958139.db2.gz DAQZSJWWRSQKEM-UHFFFAOYSA-N 1 1 269.373 3.179 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000602437700 347958426 /nfs/dbraw/zinc/95/84/26/347958426.db2.gz WZXPZUYRXHQZQK-OAHLLOKOSA-N 1 1 282.391 3.244 20 30 CGEDMO CCC[N@@H+](Cc1ccc(OC)cc1)Cc1cccc(C#N)n1 ZINC000602443025 347959221 /nfs/dbraw/zinc/95/92/21/347959221.db2.gz FVJHKAFNDQNPJL-UHFFFAOYSA-N 1 1 295.386 3.374 20 30 CGEDMO CC[N@@H+](CCc1cccs1)Cc1cccc(C#N)n1 ZINC000602449487 347960299 /nfs/dbraw/zinc/96/02/99/347960299.db2.gz RKVYBRKMBBRLNV-UHFFFAOYSA-N 1 1 271.389 3.079 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000602447856 347960325 /nfs/dbraw/zinc/96/03/25/347960325.db2.gz GUQCQTHVSHAXNC-HOCLYGCPSA-N 1 1 276.380 3.200 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCCN(c2ccccc2)CC1 ZINC000602450009 347960429 /nfs/dbraw/zinc/96/04/29/347960429.db2.gz OJQDGJPNBHPZLJ-MRXNPFEDSA-N 1 1 271.408 3.139 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H](C)CCC#N ZINC000602456217 347960798 /nfs/dbraw/zinc/96/07/98/347960798.db2.gz VPNROJQGNHADPI-HNNXBMFYSA-N 1 1 267.376 3.486 20 30 CGEDMO Cc1nc2sccn2c1C[N@H+](C)C[C@H](C)CCC#N ZINC000602457320 347960924 /nfs/dbraw/zinc/96/09/24/347960924.db2.gz FYJWLAGGGQUBPI-LLVKDONJSA-N 1 1 276.409 3.076 20 30 CGEDMO CCC[N@@H+](C[C@@H](C)CCC#N)C[C@H]1CCCCO1 ZINC000602463598 347962203 /nfs/dbraw/zinc/96/22/03/347962203.db2.gz IDIWEJMMOCMCAI-LSDHHAIUSA-N 1 1 252.402 3.207 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000602470995 347963820 /nfs/dbraw/zinc/96/38/20/347963820.db2.gz AUVDKJPNUVOLNZ-DOTOQJQBSA-N 1 1 299.418 3.054 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](CCC[C@H]3CCO3)CC2)cc1 ZINC000602494918 347969456 /nfs/dbraw/zinc/96/94/56/347969456.db2.gz QWSQONUJFRAFKO-SFHVURJKSA-N 1 1 282.387 3.216 20 30 CGEDMO N#CCC1(C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)CC1 ZINC000602780169 348027709 /nfs/dbraw/zinc/02/77/09/348027709.db2.gz PHMPAPSGQLJPFL-OAHLLOKOSA-N 1 1 272.367 3.384 20 30 CGEDMO N#CCC1(C[N@H+]2CCSC[C@@H]2c2ccccc2)CC1 ZINC000602783517 348028303 /nfs/dbraw/zinc/02/83/03/348028303.db2.gz QKPIXDRQVUZSSE-OAHLLOKOSA-N 1 1 272.417 3.470 20 30 CGEDMO CCC1CCC([N@@H+](CCO)C[C@@H](C)CCC#N)CC1 ZINC000602634237 347997602 /nfs/dbraw/zinc/99/76/02/347997602.db2.gz LKCMOCMZNOTNOO-FHERZECASA-N 1 1 266.429 3.189 20 30 CGEDMO C[C@]1(c2ccc(F)cc2)CC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602642061 347999267 /nfs/dbraw/zinc/99/92/67/347999267.db2.gz HNHFJCDAGHEORI-SFHVURJKSA-N 1 1 295.361 3.256 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](CCN(C)C)Cc1cccs1 ZINC000602663848 348004204 /nfs/dbraw/zinc/00/42/04/348004204.db2.gz UDZKKNPGGCHGLJ-AWEZNQCLSA-N 1 1 279.453 3.052 20 30 CGEDMO C[C@@H](CCC#N)CN(CC[NH+](C)C)Cc1cccs1 ZINC000602663848 348004206 /nfs/dbraw/zinc/00/42/06/348004206.db2.gz UDZKKNPGGCHGLJ-AWEZNQCLSA-N 1 1 279.453 3.052 20 30 CGEDMO C[N@H+](CC(C)(C)C#N)CC(C)(C)Oc1ccccc1 ZINC000602677207 348006690 /nfs/dbraw/zinc/00/66/90/348006690.db2.gz WUGRHUZKFBKIGJ-UHFFFAOYSA-N 1 1 260.381 3.326 20 30 CGEDMO Cc1ccc(C[N@H+](C)Cc2cccc(C#N)n2)cc1C ZINC000602687077 348008833 /nfs/dbraw/zinc/00/88/33/348008833.db2.gz VETZFKSCJIULPV-UHFFFAOYSA-N 1 1 265.360 3.202 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+]([C@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000602695225 348011042 /nfs/dbraw/zinc/01/10/42/348011042.db2.gz MOPNWCBBUOQBPA-CHWSQXEVSA-N 1 1 280.412 3.121 20 30 CGEDMO COc1ccc(C[NH+]2CC(CC#N)C2)cc1C(C)(C)C ZINC000602710218 348015237 /nfs/dbraw/zinc/01/52/37/348015237.db2.gz VPLHGWJTQJZGLP-UHFFFAOYSA-N 1 1 272.392 3.338 20 30 CGEDMO N#CCC1(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000602759888 348024571 /nfs/dbraw/zinc/02/45/71/348024571.db2.gz NLHHFQSHHPEPGN-OAHLLOKOSA-N 1 1 298.386 3.289 20 30 CGEDMO C[N@@H+](CCCOc1ccccc1)CC1(CC#N)CC1 ZINC000602765190 348025213 /nfs/dbraw/zinc/02/52/13/348025213.db2.gz FEYAWZHHLWKIRH-UHFFFAOYSA-N 1 1 258.365 3.081 20 30 CGEDMO N#CCC1(C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)CC1 ZINC000602772414 348026151 /nfs/dbraw/zinc/02/61/51/348026151.db2.gz IRWVYYXULVYJKZ-OAHLLOKOSA-N 1 1 298.386 3.289 20 30 CGEDMO C[C@H]1C[C@H](Nc2cccc(-n3cccc3)c2C#N)CC[N@H+]1C ZINC000603298941 348069025 /nfs/dbraw/zinc/06/90/25/348069025.db2.gz ZQAUWDGJDONABO-LSDHHAIUSA-N 1 1 294.402 3.244 20 30 CGEDMO COc1cc(C[N@@H+](CC2(CC#N)CC2)C2CC2)ccc1O ZINC000602799870 348031597 /nfs/dbraw/zinc/03/15/97/348031597.db2.gz QOKICBGRCDOUJU-UHFFFAOYSA-N 1 1 286.375 3.059 20 30 CGEDMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2CC2(CC#N)CC2)C1 ZINC000602829752 348034838 /nfs/dbraw/zinc/03/48/38/348034838.db2.gz VJZCQZXPQXMTLN-TWMKSMIVSA-N 1 1 290.451 3.332 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC1(CC#N)CC1 ZINC000602845587 348036446 /nfs/dbraw/zinc/03/64/46/348036446.db2.gz KUWKCXQTFUFWJV-ZDUSSCGKSA-N 1 1 253.349 3.245 20 30 CGEDMO C[C@H]1CCC[N@H+](CC2(CC#N)CC2)[C@@H]1C(=O)OC(C)(C)C ZINC000602846560 348036613 /nfs/dbraw/zinc/03/66/13/348036613.db2.gz PDUVBYZNCHESPY-KBPBESRZSA-N 1 1 292.423 3.122 20 30 CGEDMO C[C@H]1CCC[N@@H+](CC2(CC#N)CC2)[C@@H]1C(=O)OC(C)(C)C ZINC000602846560 348036616 /nfs/dbraw/zinc/03/66/16/348036616.db2.gz PDUVBYZNCHESPY-KBPBESRZSA-N 1 1 292.423 3.122 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3cccnc3)C2)c(F)c1 ZINC000602857718 348037582 /nfs/dbraw/zinc/03/75/82/348037582.db2.gz YLIJHTJOSJQDAZ-MRXNPFEDSA-N 1 1 295.361 3.472 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3cccnc3)C2)cc1 ZINC000602855914 348037671 /nfs/dbraw/zinc/03/76/71/348037671.db2.gz QJNBZRINENKGIS-GOSISDBHSA-N 1 1 277.371 3.333 20 30 CGEDMO C[C@@]1(c2cccc(F)c2)CC[N@@H+](CC2(CC#N)CC2)C1 ZINC000602868033 348038483 /nfs/dbraw/zinc/03/84/83/348038483.db2.gz VCMLSUCHNIATBD-MRXNPFEDSA-N 1 1 272.367 3.483 20 30 CGEDMO C[C@H](CC#N)[NH2+]CCOc1cc(Cl)ccc1Cl ZINC000602863744 348038569 /nfs/dbraw/zinc/03/85/69/348038569.db2.gz PRYLHKYEKGJXJW-SECBINFHSA-N 1 1 273.163 3.264 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000602880313 348039919 /nfs/dbraw/zinc/03/99/19/348039919.db2.gz LZSFXTGLICYCQJ-CQSZACIVSA-N 1 1 260.385 3.267 20 30 CGEDMO C[N@H+](Cc1ccc(OC(F)F)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000602977211 348049341 /nfs/dbraw/zinc/04/93/41/348049341.db2.gz ZCFMSACTPGHXCI-TZMCWYRMSA-N 1 1 280.318 3.412 20 30 CGEDMO C[N@@H+](Cc1ccc(OC(F)F)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000602977211 348049343 /nfs/dbraw/zinc/04/93/43/348049343.db2.gz ZCFMSACTPGHXCI-TZMCWYRMSA-N 1 1 280.318 3.412 20 30 CGEDMO C[N@@H+](CCc1ccc(F)c(F)c1)[C@@H]1CCC[C@H]1C#N ZINC000602978085 348049445 /nfs/dbraw/zinc/04/94/45/348049445.db2.gz LIEGRKHILMIJID-SWLSCSKDSA-N 1 1 264.319 3.131 20 30 CGEDMO COc1cccc(CCC[N@@H+](C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000602978882 348050485 /nfs/dbraw/zinc/05/04/85/348050485.db2.gz XVQVKWCCONILEO-DOTOQJQBSA-N 1 1 272.392 3.252 20 30 CGEDMO COc1cc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)ccc1Cl ZINC000602982200 348051460 /nfs/dbraw/zinc/05/14/60/348051460.db2.gz OXCBLURCYLLCAK-TZMCWYRMSA-N 1 1 278.783 3.473 20 30 CGEDMO COc1cc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)ccc1Cl ZINC000602982200 348051464 /nfs/dbraw/zinc/05/14/64/348051464.db2.gz OXCBLURCYLLCAK-TZMCWYRMSA-N 1 1 278.783 3.473 20 30 CGEDMO C=CCCC[N@H+](CCC)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000607155059 348224643 /nfs/dbraw/zinc/22/46/43/348224643.db2.gz RSMJONOVXBGGKD-KFWWJZLASA-N 1 1 251.414 3.478 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000610957478 348412035 /nfs/dbraw/zinc/41/20/35/348412035.db2.gz NHCOEHFYBZTWPT-AWEZNQCLSA-N 1 1 282.343 3.149 20 30 CGEDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccnc(C#N)c1 ZINC000610993777 348415969 /nfs/dbraw/zinc/41/59/69/348415969.db2.gz IGLWWPJZMZRMTB-XPKDYRNWSA-N 1 1 255.365 3.106 20 30 CGEDMO COCC[N@@H+](Cc1cc(F)ccc1C#N)C1CCCC1 ZINC000610728521 348399418 /nfs/dbraw/zinc/39/94/18/348399418.db2.gz MGDOAKHOQIAFDS-UHFFFAOYSA-N 1 1 276.355 3.088 20 30 CGEDMO C[C@H]([NH2+]Cc1cn2cccc(F)c2n1)c1ccc(C#N)cc1 ZINC000611118855 348423884 /nfs/dbraw/zinc/42/38/84/348423884.db2.gz HUCOZEGBFOSRRA-LBPRGKRZSA-N 1 1 294.333 3.196 20 30 CGEDMO C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1cccc(C#N)c1 ZINC000611387965 348443684 /nfs/dbraw/zinc/44/36/84/348443684.db2.gz AZBNJWZKXUOMPQ-LLVKDONJSA-N 1 1 299.305 3.456 20 30 CGEDMO CC[C@@H](CN[C@@H]1CCCc2cc(C#N)ccc21)[NH+]1CCCC1 ZINC000611390584 348444656 /nfs/dbraw/zinc/44/46/56/348444656.db2.gz JFWZPSGUKUCRIA-PKOBYXMFSA-N 1 1 297.446 3.400 20 30 CGEDMO CCC[N@@H+]1CC[C@H](CN[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391531 348444750 /nfs/dbraw/zinc/44/47/50/348444750.db2.gz MZYBNJJLHSKAQM-APWZRJJASA-N 1 1 297.446 3.257 20 30 CGEDMO CCC[N@H+]1CC[C@H](CN[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391531 348444752 /nfs/dbraw/zinc/44/47/52/348444752.db2.gz MZYBNJJLHSKAQM-APWZRJJASA-N 1 1 297.446 3.257 20 30 CGEDMO COCC[N@@H+](CCC#N)CCCc1ccccc1Cl ZINC000612084710 348492598 /nfs/dbraw/zinc/49/25/98/348492598.db2.gz GPPANJKOTKQXPI-UHFFFAOYSA-N 1 1 280.799 3.135 20 30 CGEDMO COCC[N@H+](CCC#N)CCCc1ccccc1Cl ZINC000612084710 348492602 /nfs/dbraw/zinc/49/26/02/348492602.db2.gz GPPANJKOTKQXPI-UHFFFAOYSA-N 1 1 280.799 3.135 20 30 CGEDMO C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612159597 348497908 /nfs/dbraw/zinc/49/79/08/348497908.db2.gz CXFKMUYSJFXUOA-OWCLPIDISA-N 1 1 264.413 3.207 20 30 CGEDMO C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612159597 348497910 /nfs/dbraw/zinc/49/79/10/348497910.db2.gz CXFKMUYSJFXUOA-OWCLPIDISA-N 1 1 264.413 3.207 20 30 CGEDMO COc1ccc([C@@H](C)C[N@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612406460 348517688 /nfs/dbraw/zinc/51/76/88/348517688.db2.gz MTAVHQZODYONHO-YOEHRIQHSA-N 1 1 272.392 3.424 20 30 CGEDMO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614159830 348653268 /nfs/dbraw/zinc/65/32/68/348653268.db2.gz SJXKELGYSRKDII-PBHICJAKSA-N 1 1 286.419 3.487 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CCCO1 ZINC000614166443 348653599 /nfs/dbraw/zinc/65/35/99/348653599.db2.gz IXBUJZRQQAOIBX-AWEZNQCLSA-N 1 1 272.392 3.099 20 30 CGEDMO CC[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)C[C@H](C)C#N ZINC000614163222 348653658 /nfs/dbraw/zinc/65/36/58/348653658.db2.gz VFSHABGGVAHKOP-CQSZACIVSA-N 1 1 269.392 3.469 20 30 CGEDMO CC[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C[C@H](C)C#N ZINC000614163222 348653661 /nfs/dbraw/zinc/65/36/61/348653661.db2.gz VFSHABGGVAHKOP-CQSZACIVSA-N 1 1 269.392 3.469 20 30 CGEDMO C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C[C@@H]1CCCOC1 ZINC000614167288 348654353 /nfs/dbraw/zinc/65/43/53/348654353.db2.gz IJPITJHGENFQKH-INIZCTEOSA-N 1 1 286.419 3.346 20 30 CGEDMO C[C@H]1COCCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176083 348654978 /nfs/dbraw/zinc/65/49/78/348654978.db2.gz ALSUTDNGRGMOBV-AWEZNQCLSA-N 1 1 272.392 3.099 20 30 CGEDMO C[C@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614176124 348655011 /nfs/dbraw/zinc/65/50/11/348655011.db2.gz HCVVIBHOZDHUJZ-GOEBONIOSA-N 1 1 286.419 3.081 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCN(C)c2ccccc2C1 ZINC000614397246 348673307 /nfs/dbraw/zinc/67/33/07/348673307.db2.gz FXXPVFPYLVCCIX-UHFFFAOYSA-N 1 1 291.398 3.319 20 30 CGEDMO C/C(=C/c1ccccc1)C[N@H+](C)Cc1ccnc(C#N)c1 ZINC000617260697 348940730 /nfs/dbraw/zinc/94/07/30/348940730.db2.gz ZFLMPIKASGCFJS-GDNBJRDFSA-N 1 1 277.371 3.489 20 30 CGEDMO CC(C)[C@@H]1CN(Cc2ccc(C(C)(C)C#N)cc2)CC[N@H+]1C ZINC000617065726 348912099 /nfs/dbraw/zinc/91/20/99/348912099.db2.gz IIQBZFZYIGLIOR-SFHVURJKSA-N 1 1 299.462 3.260 20 30 CGEDMO CC(C)[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)CCN1C ZINC000617065726 348912104 /nfs/dbraw/zinc/91/21/04/348912104.db2.gz IIQBZFZYIGLIOR-SFHVURJKSA-N 1 1 299.462 3.260 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CCN1C ZINC000617065726 348912106 /nfs/dbraw/zinc/91/21/06/348912106.db2.gz IIQBZFZYIGLIOR-SFHVURJKSA-N 1 1 299.462 3.260 20 30 CGEDMO N#CCN1CC[NH+](Cc2ccc(-c3cccs3)cc2)CC1 ZINC000618286798 349066993 /nfs/dbraw/zinc/06/69/93/349066993.db2.gz CABVVBLZGKRJSM-UHFFFAOYSA-N 1 1 297.427 3.056 20 30 CGEDMO Cc1cc(C[N@H+](Cc2ccccc2)C[C@@H](C)O)ccc1C#N ZINC000618593600 349115851 /nfs/dbraw/zinc/11/58/51/349115851.db2.gz QLEILWRWUZJFKD-MRXNPFEDSA-N 1 1 294.398 3.250 20 30 CGEDMO CCn1ccc(C[N@@H+](C)Cc2ccc(C#N)c(C)c2)c1 ZINC000618611227 349121377 /nfs/dbraw/zinc/12/13/77/349121377.db2.gz FEUGYAAFONNSOZ-UHFFFAOYSA-N 1 1 267.376 3.320 20 30 CGEDMO C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1cscn1 ZINC000618805710 349156718 /nfs/dbraw/zinc/15/67/18/349156718.db2.gz PAESSICXHNMCEM-QMTHXVAHSA-N 1 1 269.373 3.353 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@H](c2cncc(F)c2)C2CC2)c(F)c1 ZINC000619611135 349262956 /nfs/dbraw/zinc/26/29/56/349262956.db2.gz OLRLIWJZSQNZHR-KRWDZBQOSA-N 1 1 299.324 3.472 20 30 CGEDMO C=CCC(C)(C)c1noc([C@H]2CCn3cc(C)[nH+]c3C2)n1 ZINC000624633645 350072278 /nfs/dbraw/zinc/07/22/78/350072278.db2.gz XWWBBRFGAMYGKE-LBPRGKRZSA-N 1 1 286.379 3.158 20 30 CGEDMO Cc1[nH+]ccn1CCCOc1cc(Cl)ccc1C#N ZINC000271228937 191015817 /nfs/dbraw/zinc/01/58/17/191015817.db2.gz SNSAHVCUUVLTTA-UHFFFAOYSA-N 1 1 275.739 3.186 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(C)c(F)c1)[C@@H](C)COC ZINC000625530850 350181396 /nfs/dbraw/zinc/18/13/96/350181396.db2.gz UEYJMTXTJPMYOP-ZDUSSCGKSA-N 1 1 251.345 3.157 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccncc2Br)C1 ZINC000625705924 350200579 /nfs/dbraw/zinc/20/05/79/350200579.db2.gz UFNYMDQRFRNOQI-LLVKDONJSA-N 1 1 281.197 3.242 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000271305109 191063272 /nfs/dbraw/zinc/06/32/72/191063272.db2.gz PTZYBHXWXISOKV-GFCCVEGCSA-N 1 1 271.364 3.032 20 30 CGEDMO COCCC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000625630676 350187418 /nfs/dbraw/zinc/18/74/18/350187418.db2.gz HVEBZNPRHHEJPF-UHFFFAOYSA-N 1 1 291.822 3.440 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000625654694 350191904 /nfs/dbraw/zinc/19/19/04/350191904.db2.gz GSLWCVBUJWTOLQ-CQSZACIVSA-N 1 1 281.346 3.347 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2nc(C3CCCC3)no2)C1 ZINC000625705834 350200937 /nfs/dbraw/zinc/20/09/37/350200937.db2.gz ZTAZVZUBKQXKEG-LBPRGKRZSA-N 1 1 261.369 3.125 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2nc(C3CCCC3)no2)C1 ZINC000625705834 350200940 /nfs/dbraw/zinc/20/09/40/350200940.db2.gz ZTAZVZUBKQXKEG-LBPRGKRZSA-N 1 1 261.369 3.125 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cnc(N(CC)CC)s2)C1 ZINC000628405982 350529281 /nfs/dbraw/zinc/52/92/81/350529281.db2.gz ZHBIWZPQCWQCSM-CYBMUJFWSA-N 1 1 279.453 3.387 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000628406884 350529485 /nfs/dbraw/zinc/52/94/85/350529485.db2.gz TUMGKRGVJRPPRE-GFCCVEGCSA-N 1 1 257.337 3.068 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2nn(CC)c3ccccc23)C1 ZINC000628406534 350530029 /nfs/dbraw/zinc/53/00/29/350530029.db2.gz LLFMFYSHPNTJIX-AWEZNQCLSA-N 1 1 269.392 3.454 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cc(COC)cs2)C1 ZINC000628407029 350530600 /nfs/dbraw/zinc/53/06/00/350530600.db2.gz XNPHGAUUNSBDOV-LBPRGKRZSA-N 1 1 251.395 3.293 20 30 CGEDMO C=CCCC(C)(C)C[NH2+]C1CCN(C(C)C)CC1 ZINC000631681453 351118428 /nfs/dbraw/zinc/11/84/28/351118428.db2.gz ZYXDBOHZMSALQS-UHFFFAOYSA-N 1 1 252.446 3.441 20 30 CGEDMO C=C(Cl)CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000271435560 191137020 /nfs/dbraw/zinc/13/70/20/191137020.db2.gz COXXMSDZRHYFDQ-BBRMVZONSA-N 1 1 278.827 3.239 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC000636310458 351736476 /nfs/dbraw/zinc/73/64/76/351736476.db2.gz MXQRSVRHMHEFTH-UHFFFAOYSA-N 1 1 277.412 3.115 20 30 CGEDMO CCCc1nc(C)c(C[NH2+]Cc2cccc(C#N)c2)o1 ZINC000291666321 198056305 /nfs/dbraw/zinc/05/63/05/198056305.db2.gz FVCFJYKTXWHLKV-UHFFFAOYSA-N 1 1 269.348 3.097 20 30 CGEDMO C=CC[N@H+](Cc1cc(=O)oc2cc(C)ccc12)C1CC1 ZINC000271444751 191141596 /nfs/dbraw/zinc/14/15/96/191141596.db2.gz NCRKIQHKNOJDDK-UHFFFAOYSA-N 1 1 269.344 3.252 20 30 CGEDMO C[N@@H+](CCOCc1ccccc1)Cc1ccc(F)c(C#N)c1 ZINC000122198540 187020484 /nfs/dbraw/zinc/02/04/84/187020484.db2.gz CQUXYLNUSURJSC-UHFFFAOYSA-N 1 1 298.361 3.346 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000122956225 187062055 /nfs/dbraw/zinc/06/20/55/187062055.db2.gz XCYGEQYPSUTNPO-PHIMTYICSA-N 1 1 291.782 3.023 20 30 CGEDMO C[N@@H+](CCc1ccc(Cl)cc1)Cc1ccc(C#N)o1 ZINC000123620829 187101277 /nfs/dbraw/zinc/10/12/77/187101277.db2.gz MWBDVYVDASLXOH-UHFFFAOYSA-N 1 1 274.751 3.479 20 30 CGEDMO C=CCC(CC=C)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000123720003 187106371 /nfs/dbraw/zinc/10/63/71/187106371.db2.gz DILKVGAHQRJICL-INIZCTEOSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CC[N@H+](C[C@@H](O)c1cccc(Cl)c1)C1CC1 ZINC000271457186 191149424 /nfs/dbraw/zinc/14/94/24/191149424.db2.gz PDKSFLWOFMJRQK-CQSZACIVSA-N 1 1 251.757 3.024 20 30 CGEDMO CSC[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000292315951 198240982 /nfs/dbraw/zinc/24/09/82/198240982.db2.gz DZUKQJVOKFAIFA-CYBMUJFWSA-N 1 1 278.396 3.272 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000153968815 188114625 /nfs/dbraw/zinc/11/46/25/188114625.db2.gz DDLQPPURRUDKJV-KRWDZBQOSA-N 1 1 293.370 3.299 20 30 CGEDMO CC#CCC[N@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000155317671 188199195 /nfs/dbraw/zinc/19/91/95/188199195.db2.gz BEUDRNZNENVFDD-UHFFFAOYSA-N 1 1 263.406 3.262 20 30 CGEDMO CC#CCC[N@@H+]1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000155031788 188177353 /nfs/dbraw/zinc/17/73/53/188177353.db2.gz IGAGDOOXMHEZLS-OAHLLOKOSA-N 1 1 273.376 3.254 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000157954455 188348541 /nfs/dbraw/zinc/34/85/41/188348541.db2.gz HRKZQWFJQXEDIP-UHFFFAOYSA-N 1 1 296.418 3.010 20 30 CGEDMO Cc1ccc(C#N)c(NCCCC[N@@H+]2CCCC[C@H]2C)n1 ZINC000160620466 188483592 /nfs/dbraw/zinc/48/35/92/188483592.db2.gz UHSXINCCWCNTAE-OAHLLOKOSA-N 1 1 286.423 3.328 20 30 CGEDMO N#Cc1c(Cl)cccc1SCC[N@H+]1CCCOCC1 ZINC000413005463 235240771 /nfs/dbraw/zinc/24/07/71/235240771.db2.gz ZEFNUEULVNLPLB-UHFFFAOYSA-N 1 1 296.823 3.026 20 30 CGEDMO C#CCC[N@H+](C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273520270 192184852 /nfs/dbraw/zinc/18/48/52/192184852.db2.gz PWDTUXHDJYJDPX-HOTGVXAUSA-N 1 1 261.340 3.001 20 30 CGEDMO N#Cc1ccc(F)cc1C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000189235497 283151166 /nfs/dbraw/zinc/15/11/66/283151166.db2.gz IWPVHRULBNYODW-KRWDZBQOSA-N 1 1 288.366 3.088 20 30 CGEDMO CC[C@H]([NH2+]Cc1ccc(C#N)o1)c1cccc([N+](=O)[O-])c1 ZINC000175051659 188930510 /nfs/dbraw/zinc/93/05/10/188930510.db2.gz XIINSCLXSFQWQV-HNNXBMFYSA-N 1 1 285.303 3.300 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@H](C2CCCC2)C1 ZINC000420959894 283212790 /nfs/dbraw/zinc/21/27/90/283212790.db2.gz FYDXKWNSXUHZIW-HNNXBMFYSA-N 1 1 299.374 3.479 20 30 CGEDMO N#Cc1ccccc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000179194451 283216073 /nfs/dbraw/zinc/21/60/73/283216073.db2.gz ZMOPLIWJVXLMRV-UHFFFAOYSA-N 1 1 269.392 3.013 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000088704577 138342580 /nfs/dbraw/zinc/34/25/80/138342580.db2.gz OJCKWXHGJULAAU-KGLIPLIRSA-N 1 1 285.391 3.007 20 30 CGEDMO C[C@@H](CNc1c(F)cc(C#N)cc1F)[N@H+]1CCC[C@@H](C)C1 ZINC000109810160 138362027 /nfs/dbraw/zinc/36/20/27/138362027.db2.gz WLZFPUXNKDOYLK-NEPJUHHUSA-N 1 1 293.361 3.369 20 30 CGEDMO N#Cc1cnc(N[C@@H]2CC[N@H+](C3CCCC3)C2)c(Cl)c1 ZINC000114709787 138365390 /nfs/dbraw/zinc/36/53/90/138365390.db2.gz JPJFVIWXRSIHKH-GFCCVEGCSA-N 1 1 290.798 3.035 20 30 CGEDMO COc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)cc1C#N ZINC000125002977 138379175 /nfs/dbraw/zinc/37/91/75/138379175.db2.gz IJMXFNHASYGJIO-UHFFFAOYSA-N 1 1 291.354 3.071 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000125375333 138382249 /nfs/dbraw/zinc/38/22/49/138382249.db2.gz RWFIFFZAFVYIHX-MRXNPFEDSA-N 1 1 269.323 3.363 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000125375333 138382250 /nfs/dbraw/zinc/38/22/50/138382250.db2.gz RWFIFFZAFVYIHX-MRXNPFEDSA-N 1 1 269.323 3.363 20 30 CGEDMO N#Cc1ccc2c(c1)[C@H](N[C@@H](C[NH3+])C1CCCCC1)CC2 ZINC000423265726 236014096 /nfs/dbraw/zinc/01/40/96/236014096.db2.gz RGJIRTHPURBNII-MSOLQXFVSA-N 1 1 283.419 3.043 20 30 CGEDMO C[C@H]([NH2+][C@@H](CN)C1CCCCC1)c1cccc(C#N)c1 ZINC000423269261 236014803 /nfs/dbraw/zinc/01/48/03/236014803.db2.gz VVHJJVSCDXUHNF-GUYCJALGSA-N 1 1 271.408 3.116 20 30 CGEDMO CC1(C)C[N@H+](Cc2cc(C#N)cs2)[C@@H]2CCC[C@H]2O1 ZINC000336201637 213022090 /nfs/dbraw/zinc/02/20/90/213022090.db2.gz QURUYLCBYRCZOZ-ZIAGYGMSSA-N 1 1 276.405 3.152 20 30 CGEDMO CC1(C)C[N@@H+](Cc2cc(C#N)cs2)[C@@H]2CCC[C@H]2O1 ZINC000336201637 213022092 /nfs/dbraw/zinc/02/20/92/213022092.db2.gz QURUYLCBYRCZOZ-ZIAGYGMSSA-N 1 1 276.405 3.152 20 30 CGEDMO CC[C@H](C)C[N@@H+](CC)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000177859347 189074699 /nfs/dbraw/zinc/07/46/99/189074699.db2.gz NKSNDTOFQQTBBC-ZDUSSCGKSA-N 1 1 298.390 3.476 20 30 CGEDMO C=CCN1CCC([NH2+][C@@H](C)c2cccnc2Cl)CC1 ZINC000177907502 189078227 /nfs/dbraw/zinc/07/82/27/189078227.db2.gz QXJJYBDEIOAYAK-LBPRGKRZSA-N 1 1 279.815 3.036 20 30 CGEDMO Cn1cc(C[N@H+](C)Cc2cccc(C#N)c2)c(C(C)(C)C)n1 ZINC000179682108 189213014 /nfs/dbraw/zinc/21/30/14/189213014.db2.gz GWFZEAYOIXIWMW-UHFFFAOYSA-N 1 1 296.418 3.221 20 30 CGEDMO Cn1cc(C[N@@H+](C)Cc2cccc(C#N)c2)c(C(C)(C)C)n1 ZINC000179682108 189213015 /nfs/dbraw/zinc/21/30/15/189213015.db2.gz GWFZEAYOIXIWMW-UHFFFAOYSA-N 1 1 296.418 3.221 20 30 CGEDMO CN(CC[C@H]1CCCC[N@H+]1C)c1ccc(C#N)cc1F ZINC000301419732 201002861 /nfs/dbraw/zinc/00/28/61/201002861.db2.gz BTAPSSYSFXVXKQ-CQSZACIVSA-N 1 1 275.371 3.008 20 30 CGEDMO CC(=O)c1ccc(C#N)c(NC[C@@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000302123762 201351720 /nfs/dbraw/zinc/35/17/20/201351720.db2.gz VLXKXFOPBSOUIV-HNNXBMFYSA-N 1 1 299.418 3.151 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1OC)CC1CC1 ZINC000120499387 370774057 /nfs/dbraw/zinc/77/40/57/370774057.db2.gz MKEVRONSXGDQIQ-UHFFFAOYSA-N 1 1 258.365 3.189 20 30 CGEDMO C[C@@]12C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451368964 240285431 /nfs/dbraw/zinc/28/54/31/240285431.db2.gz MUSHTZJSJSDRHC-VUNQQRPYSA-N 1 1 282.362 3.341 20 30 CGEDMO CO[C@H]1C[C@H]([N@H+](C)Cc2ccc(F)cc2C#N)C12CCC2 ZINC000451849982 240370111 /nfs/dbraw/zinc/37/01/11/240370111.db2.gz LEVSPWGEFZMTGJ-HOTGVXAUSA-N 1 1 288.366 3.087 20 30 CGEDMO CO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(F)cc2C#N)C12CCC2 ZINC000451849982 240370116 /nfs/dbraw/zinc/37/01/16/240370116.db2.gz LEVSPWGEFZMTGJ-HOTGVXAUSA-N 1 1 288.366 3.087 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@]3(CCSC3)C2)c1 ZINC000451958683 240385264 /nfs/dbraw/zinc/38/52/64/240385264.db2.gz HVZBURMQIDHSEB-INIZCTEOSA-N 1 1 290.407 3.416 20 30 CGEDMO CCO[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C[C@@H]1C ZINC000451538343 240319822 /nfs/dbraw/zinc/31/98/22/240319822.db2.gz JBVBDVSHUNGABE-BLLLJJGKSA-N 1 1 292.810 3.459 20 30 CGEDMO CCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C[C@@H]1C ZINC000451538343 240319824 /nfs/dbraw/zinc/31/98/24/240319824.db2.gz JBVBDVSHUNGABE-BLLLJJGKSA-N 1 1 292.810 3.459 20 30 CGEDMO C=CC[N@@H+](C)[C@@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000121333415 370853513 /nfs/dbraw/zinc/85/35/13/370853513.db2.gz HGBXIHFXVKMNTF-VIFPVBQESA-N 1 1 276.409 3.069 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000121333415 370853518 /nfs/dbraw/zinc/85/35/18/370853518.db2.gz HGBXIHFXVKMNTF-VIFPVBQESA-N 1 1 276.409 3.069 20 30 CGEDMO C=CC[N@@H+](C)CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000121462254 370862287 /nfs/dbraw/zinc/86/22/87/370862287.db2.gz LDZNUNDAPRWFTH-ZDUSSCGKSA-N 1 1 286.375 3.070 20 30 CGEDMO C=CC[N@H+](C)CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000121462254 370862291 /nfs/dbraw/zinc/86/22/91/370862291.db2.gz LDZNUNDAPRWFTH-ZDUSSCGKSA-N 1 1 286.375 3.070 20 30 CGEDMO CCC1(CC)CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459340903 242079391 /nfs/dbraw/zinc/07/93/91/242079391.db2.gz JJYQUYPQWUJIQN-UHFFFAOYSA-N 1 1 287.363 3.479 20 30 CGEDMO CCC1(CC)CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459340903 242079396 /nfs/dbraw/zinc/07/93/96/242079396.db2.gz JJYQUYPQWUJIQN-UHFFFAOYSA-N 1 1 287.363 3.479 20 30 CGEDMO CCOC[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000459713042 242190792 /nfs/dbraw/zinc/19/07/92/242190792.db2.gz NEAZNBYIEPGSFW-CQSZACIVSA-N 1 1 276.355 3.088 20 30 CGEDMO CCOC[C@H]1CCCC[N@H+]1Cc1cccc(F)c1C#N ZINC000459713042 242190794 /nfs/dbraw/zinc/19/07/94/242190794.db2.gz NEAZNBYIEPGSFW-CQSZACIVSA-N 1 1 276.355 3.088 20 30 CGEDMO C=CC[N@H+](C)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000121500113 370867722 /nfs/dbraw/zinc/86/77/22/370867722.db2.gz NOZOAQXLGKWUBY-SFHVURJKSA-N 1 1 297.398 3.211 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(SC(=O)N(C)C)cc1 ZINC000121601042 370876631 /nfs/dbraw/zinc/87/66/31/370876631.db2.gz ZRCHUYFLLJJCNY-UHFFFAOYSA-N 1 1 264.394 3.078 20 30 CGEDMO Cc1sc(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c(C#N)c1C ZINC000123360196 370911234 /nfs/dbraw/zinc/91/12/34/370911234.db2.gz PPTIAZLLKFAAGH-UWVGGRQHSA-N 1 1 291.420 3.048 20 30 CGEDMO COc1ccc(C[NH+]2CCC(C#N)CC2)cc1OC(F)F ZINC000123719328 370914226 /nfs/dbraw/zinc/91/42/26/370914226.db2.gz BLNZAGPVAYGAOD-UHFFFAOYSA-N 1 1 296.317 3.032 20 30 CGEDMO C=CCCCN(C)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000125334385 370935929 /nfs/dbraw/zinc/93/59/29/370935929.db2.gz LGDWAGBDDNIYHO-INIZCTEOSA-N 1 1 295.471 3.106 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000125936548 370941576 /nfs/dbraw/zinc/94/15/76/370941576.db2.gz ZVSOQLMYZIJKHZ-HOTGVXAUSA-N 1 1 288.435 3.459 20 30 CGEDMO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019934080 368786970 /nfs/dbraw/zinc/78/69/70/368786970.db2.gz XDNFBJSOGFMTCK-LJQANCHMSA-N 1 1 291.398 3.069 20 30 CGEDMO C[N@H+]1CCN(Cc2ccc(C#N)cc2)[C@@H](c2ccccc2)C1 ZINC000020027659 368793145 /nfs/dbraw/zinc/79/31/45/368793145.db2.gz XRQURSBECIMJBC-LJQANCHMSA-N 1 1 291.398 3.047 20 30 CGEDMO C=CCOc1ccc(CNCC[NH+]2CCCCCC2)cc1 ZINC000040433231 369155028 /nfs/dbraw/zinc/15/50/28/369155028.db2.gz UHQCCAJEBRQDMH-UHFFFAOYSA-N 1 1 288.435 3.217 20 30 CGEDMO C[C@@H]1CCC[C@@H]([N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000049011341 369381363 /nfs/dbraw/zinc/38/13/63/369381363.db2.gz IOLBALPSBZUJLI-XYPHTWIQSA-N 1 1 272.392 3.102 20 30 CGEDMO C[C@@H]1[C@@H](C)CCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000050564749 369441834 /nfs/dbraw/zinc/44/18/34/369441834.db2.gz VMVWGPJFMXRXQP-UONOGXRCSA-N 1 1 285.391 3.007 20 30 CGEDMO CC(C)[N@H+]1CCCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000276155910 193228648 /nfs/dbraw/zinc/22/86/48/193228648.db2.gz RMVOEBIUKHMVEU-OAHLLOKOSA-N 1 1 271.408 3.035 20 30 CGEDMO C[C@@H]([NH2+]Cc1nc2ccccc2[nH]1)c1ccc(C#N)cc1 ZINC000054375460 369501613 /nfs/dbraw/zinc/50/16/13/369501613.db2.gz RUXQKUVQYZCDJO-GFCCVEGCSA-N 1 1 276.343 3.285 20 30 CGEDMO C=C(C)C[N@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000063493922 369646489 /nfs/dbraw/zinc/64/64/89/369646489.db2.gz CBOCGZWEVHVFNC-KRWDZBQOSA-N 1 1 252.361 3.469 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)[C@H]1C=CCCC1 ZINC000066496995 369695755 /nfs/dbraw/zinc/69/57/55/369695755.db2.gz GRDDTFAQDLINPK-KRWDZBQOSA-N 1 1 270.376 3.115 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000276608838 193399437 /nfs/dbraw/zinc/39/94/37/193399437.db2.gz YXVLIKLDCIRCTD-JTQLQIEISA-N 1 1 255.793 3.350 20 30 CGEDMO C=CC[N@H+](CCCSC)Cc1ccc(OC)cc1 ZINC000075643613 369916180 /nfs/dbraw/zinc/91/61/80/369916180.db2.gz YHKPOAAXBBHVSM-UHFFFAOYSA-N 1 1 265.422 3.436 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000076148763 369932196 /nfs/dbraw/zinc/93/21/96/369932196.db2.gz SXHMBQHOKPYWBK-OLZOCXBDSA-N 1 1 296.374 3.229 20 30 CGEDMO C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000076148766 369933141 /nfs/dbraw/zinc/93/31/41/369933141.db2.gz SXHMBQHOKPYWBK-QWHCGFSZSA-N 1 1 296.374 3.229 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC000076736125 369941535 /nfs/dbraw/zinc/94/15/35/369941535.db2.gz SUMBTBHRCRNYBU-AWEZNQCLSA-N 1 1 290.407 3.310 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000076737521 369942117 /nfs/dbraw/zinc/94/21/17/369942117.db2.gz NUDQEODGMVXCKB-KGLIPLIRSA-N 1 1 292.398 3.289 20 30 CGEDMO CC[C@H](C)C[N@@H+](CC)CCC(=O)Nc1cccc(C#N)c1 ZINC000093250993 370113717 /nfs/dbraw/zinc/11/37/17/370113717.db2.gz AOTMIUGICBWPGD-AWEZNQCLSA-N 1 1 287.407 3.255 20 30 CGEDMO Cc1c(Br)cccc1C[N@@H+](C)[C@H](C)CC#N ZINC000090552285 370062046 /nfs/dbraw/zinc/06/20/46/370062046.db2.gz NJTGHTNZEZNUDO-SNVBAGLBSA-N 1 1 281.197 3.492 20 30 CGEDMO Cc1c(Br)cccc1C[N@H+](C)[C@H](C)CC#N ZINC000090552285 370062049 /nfs/dbraw/zinc/06/20/49/370062049.db2.gz NJTGHTNZEZNUDO-SNVBAGLBSA-N 1 1 281.197 3.492 20 30 CGEDMO C=CCOc1ccc(CN(C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000092253369 370095039 /nfs/dbraw/zinc/09/50/39/370095039.db2.gz LYZNAGIXRWPFHN-KRWDZBQOSA-N 1 1 288.435 3.025 20 30 CGEDMO C=CCOc1ccc(CN(C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000092253369 370095042 /nfs/dbraw/zinc/09/50/42/370095042.db2.gz LYZNAGIXRWPFHN-KRWDZBQOSA-N 1 1 288.435 3.025 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)C[C@H]2CCCN(C)C2)cc1 ZINC000092253369 370095044 /nfs/dbraw/zinc/09/50/44/370095044.db2.gz LYZNAGIXRWPFHN-KRWDZBQOSA-N 1 1 288.435 3.025 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)C[C@H]2CCCN(C)C2)cc1 ZINC000092253369 370095046 /nfs/dbraw/zinc/09/50/46/370095046.db2.gz LYZNAGIXRWPFHN-KRWDZBQOSA-N 1 1 288.435 3.025 20 30 CGEDMO C=CC[N@@H+](Cc1ccn(C)c1)Cc1ccc(OC)cc1 ZINC000092217502 370095112 /nfs/dbraw/zinc/09/51/12/370095112.db2.gz YIZHRTOPYPNENN-UHFFFAOYSA-N 1 1 270.376 3.222 20 30 CGEDMO N#CCC[N@@H+](Cc1c[nH]nc1-c1cccs1)CC1CC1 ZINC000093091348 370108610 /nfs/dbraw/zinc/10/86/10/370108610.db2.gz GNINHKWNECCFQO-UHFFFAOYSA-N 1 1 286.404 3.264 20 30 CGEDMO N#CCC[N@H+](Cc1c[nH]nc1-c1cccs1)CC1CC1 ZINC000093091348 370108617 /nfs/dbraw/zinc/10/86/17/370108617.db2.gz GNINHKWNECCFQO-UHFFFAOYSA-N 1 1 286.404 3.264 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)o1)[C@@H]1CCc2ccccc2C1 ZINC000093438685 370129187 /nfs/dbraw/zinc/12/91/87/370129187.db2.gz ZFCWKCQBSDKVLC-OAHLLOKOSA-N 1 1 266.344 3.141 20 30 CGEDMO CCO[C@@H]1C[C@H]([N@@H+](C)CC(C)(C)CCC#N)C1(C)C ZINC000093605467 370146593 /nfs/dbraw/zinc/14/65/93/370146593.db2.gz MVCCUZTYMDTUIN-UONOGXRCSA-N 1 1 266.429 3.452 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(N2CCCC2)nc1)C1CCCC1 ZINC000093819762 370160900 /nfs/dbraw/zinc/16/09/00/370160900.db2.gz PLMWCXFPYNEZCO-UHFFFAOYSA-N 1 1 283.419 3.060 20 30 CGEDMO CO[C@]1(C)C[C@@H]([N@@H+](C)CC(C)(C)CCC#N)C1(C)C ZINC000093871949 370165760 /nfs/dbraw/zinc/16/57/60/370165760.db2.gz IIIUWHACWXMBLQ-CZUORRHYSA-N 1 1 266.429 3.452 20 30 CGEDMO C=C(Br)C[N@@H+]1CCC[C@H](OCCC)CC1 ZINC000108493974 370357076 /nfs/dbraw/zinc/35/70/76/370357076.db2.gz AFHCQDAXTUGWLJ-LBPRGKRZSA-N 1 1 276.218 3.176 20 30 CGEDMO CCOC(=O)C[N@H+](CCCCC#N)[C@@H](C)c1ccccc1 ZINC000119087424 370642909 /nfs/dbraw/zinc/64/29/09/370642909.db2.gz QONLECVXMPQTIS-HNNXBMFYSA-N 1 1 288.391 3.307 20 30 CGEDMO CCOC(=O)C[N@@H+](CCCCC#N)[C@@H](C)c1ccccc1 ZINC000119087424 370642913 /nfs/dbraw/zinc/64/29/13/370642913.db2.gz QONLECVXMPQTIS-HNNXBMFYSA-N 1 1 288.391 3.307 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000129661657 370996630 /nfs/dbraw/zinc/99/66/30/370996630.db2.gz MGDIHZQGFRMZNQ-WBVHZDCISA-N 1 1 277.383 3.017 20 30 CGEDMO CC[C@@H](c1ccncc1)[N@@H+](C)CCOc1ccccc1C#N ZINC000130147950 371013411 /nfs/dbraw/zinc/01/34/11/371013411.db2.gz QPYMEFCDJIKIAT-KRWDZBQOSA-N 1 1 295.386 3.415 20 30 CGEDMO N#CCCCC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134792583 371365306 /nfs/dbraw/zinc/36/53/06/371365306.db2.gz QFLRYCBOMRYIFC-SJORKVTESA-N 1 1 290.382 3.407 20 30 CGEDMO N#CCCC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134809368 371366049 /nfs/dbraw/zinc/36/60/49/371366049.db2.gz WKIRFTQJPWRALM-HOTGVXAUSA-N 1 1 276.355 3.017 20 30 CGEDMO CC[C@H]1CC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000135057300 371387287 /nfs/dbraw/zinc/38/72/87/371387287.db2.gz HGDTXCKPQXXCKY-AWEZNQCLSA-N 1 1 258.365 3.059 20 30 CGEDMO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000135119875 371391387 /nfs/dbraw/zinc/39/13/87/371391387.db2.gz KYYMXVNNAHIQGZ-KGLIPLIRSA-N 1 1 272.392 3.097 20 30 CGEDMO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000135119875 371391391 /nfs/dbraw/zinc/39/13/91/371391391.db2.gz KYYMXVNNAHIQGZ-KGLIPLIRSA-N 1 1 272.392 3.097 20 30 CGEDMO CCOC[C@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135270986 371408880 /nfs/dbraw/zinc/40/88/80/371408880.db2.gz GWHXBVKRHMRVCT-HNNXBMFYSA-N 1 1 286.419 3.346 20 30 CGEDMO CC[C@@H](CC#N)N[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000136959112 371488943 /nfs/dbraw/zinc/48/89/43/371488943.db2.gz XHAYOAAPEHSZPB-RYQLBKOJSA-N 1 1 285.435 3.179 20 30 CGEDMO CC[C@@H](CC#N)[NH2+][C@@H]1C[C@H](C)CN(Cc2ccccc2)C1 ZINC000136959112 371488950 /nfs/dbraw/zinc/48/89/50/371488950.db2.gz XHAYOAAPEHSZPB-RYQLBKOJSA-N 1 1 285.435 3.179 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)Nc1nccs1 ZINC000150874298 371543877 /nfs/dbraw/zinc/54/38/77/371543877.db2.gz UXQDSXKXYQKMTB-GFCCVEGCSA-N 1 1 281.425 3.148 20 30 CGEDMO C=CCCCCC[N@@H+](C)[C@H](C)c1nc(CC)no1 ZINC000150877965 371544834 /nfs/dbraw/zinc/54/48/34/371544834.db2.gz JGQILRKLYKZKIO-GFCCVEGCSA-N 1 1 251.374 3.371 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H](C)c1nc(CC)no1 ZINC000150877965 371544843 /nfs/dbraw/zinc/54/48/43/371544843.db2.gz JGQILRKLYKZKIO-GFCCVEGCSA-N 1 1 251.374 3.371 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000151872603 371646237 /nfs/dbraw/zinc/64/62/37/371646237.db2.gz BIVNIRQEPXQAHO-SJORKVTESA-N 1 1 296.370 3.239 20 30 CGEDMO C[N@H+](CC#Cc1ccc(Cl)cc1)CCc1ccccn1 ZINC000152959791 371737217 /nfs/dbraw/zinc/73/72/17/371737217.db2.gz XHNDPDMFFADLMP-UHFFFAOYSA-N 1 1 284.790 3.261 20 30 CGEDMO C[N@@H+]1CC[C@@H](NCC#Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000289355218 371753931 /nfs/dbraw/zinc/75/39/31/371753931.db2.gz HVOCYIRTXSAZAO-UXHICEINSA-N 1 1 290.410 3.073 20 30 CGEDMO C[N@H+]1CC[C@@H](NCC#Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000289355218 371753934 /nfs/dbraw/zinc/75/39/34/371753934.db2.gz HVOCYIRTXSAZAO-UXHICEINSA-N 1 1 290.410 3.073 20 30 CGEDMO CCC[N@@H+](CCOCC(C)C)Cc1ccc(C#N)cc1 ZINC000337319386 214005095 /nfs/dbraw/zinc/00/50/95/214005095.db2.gz AFIGVAHPHQCSCL-UHFFFAOYSA-N 1 1 274.408 3.443 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc(C#N)o1)Cc1ccc(C#N)cc1 ZINC000154372988 371840327 /nfs/dbraw/zinc/84/03/27/371840327.db2.gz RLWYYHYOYZFVPV-UHFFFAOYSA-N 1 1 279.343 3.434 20 30 CGEDMO CC#CCC[N@H+](C)C[C@@H](C)Cc1ccc(OC)cc1 ZINC000157572321 372028075 /nfs/dbraw/zinc/02/80/75/372028075.db2.gz SQZSQMSYWACRCG-HNNXBMFYSA-N 1 1 259.393 3.219 20 30 CGEDMO C[C@H]([NH2+][C@H](CN)C1CCCCC1)c1ccc(C#N)cc1 ZINC000423260951 372044634 /nfs/dbraw/zinc/04/46/34/372044634.db2.gz IWIWQDNDOJQSFU-SUMWQHHRSA-N 1 1 271.408 3.116 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(-c2ccccc2)n[nH]1 ZINC000159014967 372098667 /nfs/dbraw/zinc/09/86/67/372098667.db2.gz ZPGFMTYDFVQNOH-UHFFFAOYSA-N 1 1 255.365 3.475 20 30 CGEDMO C[N@@H+](CCNc1nc2c(cc1C#N)CCCC2(C)C)C1CC1 ZINC000428100788 372180621 /nfs/dbraw/zinc/18/06/21/372180621.db2.gz GTQQIBSHKVCIJN-UHFFFAOYSA-N 1 1 298.434 3.073 20 30 CGEDMO CO[C@@H](C[N@@H+](Cc1ccc(C#N)cc1)C(C)C)C1CC1 ZINC000425402678 372125785 /nfs/dbraw/zinc/12/57/85/372125785.db2.gz RXMOTYLYFKDLHK-KRWDZBQOSA-N 1 1 272.392 3.194 20 30 CGEDMO CCOCC[N@@H+](CC)CC#Cc1cccc(Cl)c1 ZINC000160086337 372211041 /nfs/dbraw/zinc/21/10/41/372211041.db2.gz LYLQZPDJPYEJGH-UHFFFAOYSA-N 1 1 265.784 3.050 20 30 CGEDMO C=CC[N@H+](C)C[C@H](C)Cc1ccc(OC)c(F)c1 ZINC000428389175 372187627 /nfs/dbraw/zinc/18/76/27/372187627.db2.gz KZEYZIKAUCHFLQ-GFCCVEGCSA-N 1 1 251.345 3.131 20 30 CGEDMO O[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C12CCCC2 ZINC000292611146 372198123 /nfs/dbraw/zinc/19/81/23/372198123.db2.gz FIIUZENZZZRHRL-MRXNPFEDSA-N 1 1 289.806 3.071 20 30 CGEDMO CCOC1(C)CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000428746119 372260754 /nfs/dbraw/zinc/26/07/54/372260754.db2.gz DLTXQNFMPFUWMJ-UHFFFAOYSA-N 1 1 276.355 3.088 20 30 CGEDMO CC(C)[C@@H]1C[N@H+]([C@@H](C)c2cccc(C#N)c2)CCCO1 ZINC000293158662 372314023 /nfs/dbraw/zinc/31/40/23/372314023.db2.gz ORPTVGJFVYCLMY-YOEHRIQHSA-N 1 1 272.392 3.366 20 30 CGEDMO CC(C)[C@H]1C[N@H+]([C@H](C)c2cccc(C#N)c2)CCCO1 ZINC000293158656 372314211 /nfs/dbraw/zinc/31/42/11/372314211.db2.gz ORPTVGJFVYCLMY-RHSMWYFYSA-N 1 1 272.392 3.366 20 30 CGEDMO C[C@@H]1CN(Cc2ccc(CC#N)cc2)CC[N@H+](C2CCC2)C1 ZINC000429391770 372360432 /nfs/dbraw/zinc/36/04/32/372360432.db2.gz BDMWYIDOJSWWIH-MRXNPFEDSA-N 1 1 297.446 3.059 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN([C@@H]2CC[C@H](C#N)C2)C1 ZINC000429696010 372375682 /nfs/dbraw/zinc/37/56/82/372375682.db2.gz QRYZMCPULDHHFQ-VSZNYVQBSA-N 1 1 289.467 3.265 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H]2CC)cc1OC ZINC000430205848 372386717 /nfs/dbraw/zinc/38/67/17/372386717.db2.gz NQYVLGJBMFYIRI-CQSZACIVSA-N 1 1 261.365 3.244 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000293961658 372538715 /nfs/dbraw/zinc/53/87/15/372538715.db2.gz TVPPSARMYKPGTM-GFCCVEGCSA-N 1 1 257.337 3.184 20 30 CGEDMO C#CC[N@H+](CCc1c(C)noc1C)[C@H]1CCc2ccccc21 ZINC000164945174 372538893 /nfs/dbraw/zinc/53/88/93/372538893.db2.gz RARVLRSDPDVOEG-IBGZPJMESA-N 1 1 294.398 3.457 20 30 CGEDMO C#CC[N@H+](CCc1c(C)noc1C)Cc1ccc(F)cc1 ZINC000165044146 372541504 /nfs/dbraw/zinc/54/15/04/372541504.db2.gz PJJKQHRTKLSUHE-UHFFFAOYSA-N 1 1 286.350 3.108 20 30 CGEDMO C=CCC(C)(C)CNC(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC000432080748 372533577 /nfs/dbraw/zinc/53/35/77/372533577.db2.gz QGAJSHUVJUJLNU-OAHLLOKOSA-N 1 1 295.471 3.152 20 30 CGEDMO Cc1[nH+]ccn1-c1ccc(NCc2ccc(C#N)s2)cn1 ZINC000165410721 372551740 /nfs/dbraw/zinc/55/17/40/372551740.db2.gz SFAOPFHVZIXUBV-UHFFFAOYSA-N 1 1 295.371 3.121 20 30 CGEDMO C=CCC(C)(C)CNC(=O)N[C@@H](C)C[N@H+](C)CCCC ZINC000432348203 372564381 /nfs/dbraw/zinc/56/43/81/372564381.db2.gz PSIYVMWMLXRZOL-AWEZNQCLSA-N 1 1 283.460 3.008 20 30 CGEDMO C=CCC[N@H+](C)Cc1nc2ccc(F)cc2s1 ZINC000432927010 372575481 /nfs/dbraw/zinc/57/54/81/372575481.db2.gz JGQRYBFJKPCVJK-UHFFFAOYSA-N 1 1 250.342 3.443 20 30 CGEDMO COCC[N@@H+](CCCC(C)(C)C#N)[C@@H]1CCCSC1 ZINC000433185983 372584406 /nfs/dbraw/zinc/58/44/06/372584406.db2.gz GZNDBHLOEHZCNB-CQSZACIVSA-N 1 1 284.469 3.160 20 30 CGEDMO Cc1ccc([C@H]2C[C@@H](C)[N@H+](CCOCCC#N)C2)cc1 ZINC000294171832 372602427 /nfs/dbraw/zinc/60/24/27/372602427.db2.gz PYQWKUCNSAMXSZ-WBVHZDCISA-N 1 1 272.392 3.103 20 30 CGEDMO C#CC[N@@H+](C)CCCN[C@@H](C)c1sc(C(C)C)nc1C ZINC000294898609 372676426 /nfs/dbraw/zinc/67/64/26/372676426.db2.gz FJPIIVHSYCVQQQ-ZDUSSCGKSA-N 1 1 293.480 3.181 20 30 CGEDMO C#CC[N@H+](C)CCCN[C@@H](C)c1sc(C(C)C)nc1C ZINC000294898609 372676432 /nfs/dbraw/zinc/67/64/32/372676432.db2.gz FJPIIVHSYCVQQQ-ZDUSSCGKSA-N 1 1 293.480 3.181 20 30 CGEDMO Cc1ccc([C@@]2(C)CC[N@@H+](CC3(C#N)CC3)C2)cc1 ZINC000434745169 372706818 /nfs/dbraw/zinc/70/68/18/372706818.db2.gz WJCNCIYEYFPMHO-INIZCTEOSA-N 1 1 254.377 3.262 20 30 CGEDMO C=CCCCCCN(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000295782264 372910846 /nfs/dbraw/zinc/91/08/46/372910846.db2.gz JIFUFUYRNDIFQM-UHFFFAOYSA-N 1 1 298.390 3.086 20 30 CGEDMO C[C@@H]1Cc2c([nH+]cn2Cc2ccc(F)c(C#N)c2)C[C@@H]1C ZINC000295937712 372967140 /nfs/dbraw/zinc/96/71/40/372967140.db2.gz KTQBIEVPQMUWIM-NWDGAFQWSA-N 1 1 283.350 3.313 20 30 CGEDMO Clc1cccc(C#CC[N@H+]2CCC[C@@H]3COCC[C@H]32)c1 ZINC000438517181 372968695 /nfs/dbraw/zinc/96/86/95/372968695.db2.gz XZTGLXUYTSERPE-NVXWUHKLSA-N 1 1 289.806 3.192 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@H]1c1nc2cc(C)ccc2[nH]1 ZINC000295971795 372979059 /nfs/dbraw/zinc/97/90/59/372979059.db2.gz NNHLOVKJUVIWGH-INIZCTEOSA-N 1 1 267.376 3.422 20 30 CGEDMO C#CCCC[N@H+]1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000295971795 372979063 /nfs/dbraw/zinc/97/90/63/372979063.db2.gz NNHLOVKJUVIWGH-INIZCTEOSA-N 1 1 267.376 3.422 20 30 CGEDMO CC#CC[NH+]1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000441363321 373003491 /nfs/dbraw/zinc/00/34/91/373003491.db2.gz ZAYZSZCMOGFTGL-AWEZNQCLSA-N 1 1 276.811 3.042 20 30 CGEDMO CC#CC[NH+]1CCN([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000441363325 373003878 /nfs/dbraw/zinc/00/38/78/373003878.db2.gz ZAYZSZCMOGFTGL-CQSZACIVSA-N 1 1 276.811 3.042 20 30 CGEDMO C[C@@H]1Cc2[nH+]cn(Cc3cc(F)ccc3C#N)c2C[C@@H]1C ZINC000296121042 373027347 /nfs/dbraw/zinc/02/73/47/373027347.db2.gz YLLVRSILMQNLMP-NEPJUHHUSA-N 1 1 283.350 3.313 20 30 CGEDMO Clc1ccccc1C#CC[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000441661726 373030703 /nfs/dbraw/zinc/03/07/03/373030703.db2.gz AOOQRJBYNVDSEX-HOTGVXAUSA-N 1 1 289.806 3.050 20 30 CGEDMO CC[N@@H+](CCC(=O)OC(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000172721624 373021984 /nfs/dbraw/zinc/02/19/84/373021984.db2.gz YUPHAHVDPGIDHW-CQSZACIVSA-N 1 1 288.391 3.283 20 30 CGEDMO CC(C)[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)N1CCCCCC1 ZINC000442722682 373069254 /nfs/dbraw/zinc/06/92/54/373069254.db2.gz VXYIVJUHERKWER-BBWFWOEESA-N 1 1 277.456 3.169 20 30 CGEDMO C[C@H](CC[NH2+][C@@H]1CC[C@H](C#N)C1)N(C)Cc1ccccc1 ZINC000442767065 373075419 /nfs/dbraw/zinc/07/54/19/373075419.db2.gz LZBGCHAMSNZNBK-BPQIPLTHSA-N 1 1 285.435 3.179 20 30 CGEDMO Cc1cc(CNC[C@H](C)[N@@H+]2CCC[C@H](C)C2)ccc1C#N ZINC000443977395 373164415 /nfs/dbraw/zinc/16/44/15/373164415.db2.gz IEWYARIFHSCDDV-HOCLYGCPSA-N 1 1 285.435 3.077 20 30 CGEDMO Cc1cc(CNC[C@H](C)[N@H+]2CCC[C@H](C)C2)ccc1C#N ZINC000443977395 373164425 /nfs/dbraw/zinc/16/44/25/373164425.db2.gz IEWYARIFHSCDDV-HOCLYGCPSA-N 1 1 285.435 3.077 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000296751654 373235854 /nfs/dbraw/zinc/23/58/54/373235854.db2.gz PTCONFKPTUBTLH-LSDHHAIUSA-N 1 1 283.419 3.035 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCN(C2CC2)C[C@@H](C)C1 ZINC000296751654 373235861 /nfs/dbraw/zinc/23/58/61/373235861.db2.gz PTCONFKPTUBTLH-LSDHHAIUSA-N 1 1 283.419 3.035 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCN(C2CC2)C[C@@H](C)C1 ZINC000296751654 373235871 /nfs/dbraw/zinc/23/58/71/373235871.db2.gz PTCONFKPTUBTLH-LSDHHAIUSA-N 1 1 283.419 3.035 20 30 CGEDMO C=CC[C@@H]1[N@H+](C[C@H]2CCCOC2)CCCC1(C)C ZINC000444791525 373278577 /nfs/dbraw/zinc/27/85/77/373278577.db2.gz NJUKFZUSTGUUIV-CABCVRRESA-N 1 1 251.414 3.480 20 30 CGEDMO CC(C)[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000444753544 373260791 /nfs/dbraw/zinc/26/07/91/373260791.db2.gz OLERSBPSKHTAMN-GDBMZVCRSA-N 1 1 299.418 3.253 20 30 CGEDMO CC(C)[C@@H]1CCC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000444773032 373268879 /nfs/dbraw/zinc/26/88/79/373268879.db2.gz PXBCKTMBEXBRTP-MRXNPFEDSA-N 1 1 272.392 3.305 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)[C@H](C)c1cnccn1 ZINC000298058738 373289911 /nfs/dbraw/zinc/28/99/11/373289911.db2.gz IOIZSVCJFQTNCZ-OAHLLOKOSA-N 1 1 267.376 3.268 20 30 CGEDMO CC[C@H](N[C@H](C)C[NH+](CC)CC)c1ccc(C#N)cc1 ZINC000447537431 373448344 /nfs/dbraw/zinc/44/83/44/373448344.db2.gz VWCZXXJQHIHBBM-PBHICJAKSA-N 1 1 273.424 3.329 20 30 CGEDMO Cc1csc(C2([NH2+]Cc3ccc(C#N)cc3)CCC2)n1 ZINC000299655212 373593062 /nfs/dbraw/zinc/59/30/62/373593062.db2.gz WIQKBZZIUUNGGK-UHFFFAOYSA-N 1 1 283.400 3.492 20 30 CGEDMO Cc1ncc(C[N@@H+](C)Cc2ccc(F)c(C#N)c2)s1 ZINC000176816535 373632687 /nfs/dbraw/zinc/63/26/87/373632687.db2.gz IIISFZLZEPDPDW-UHFFFAOYSA-N 1 1 275.352 3.094 20 30 CGEDMO Cc1ncc(C[N@H+](C)Cc2ccc(F)c(C#N)c2)s1 ZINC000176816535 373632693 /nfs/dbraw/zinc/63/26/93/373632693.db2.gz IIISFZLZEPDPDW-UHFFFAOYSA-N 1 1 275.352 3.094 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CCCCC1 ZINC000448709182 373636445 /nfs/dbraw/zinc/63/64/45/373636445.db2.gz OOIFHGCSSXMQIJ-HOTGVXAUSA-N 1 1 290.451 3.256 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](OC)C(C)(C)C2)cc1 ZINC000449505281 373804190 /nfs/dbraw/zinc/80/41/90/373804190.db2.gz WUXZBOBZQRLZHQ-QGZVFWFLSA-N 1 1 289.419 3.498 20 30 CGEDMO C=CCOc1cccc(C[NH2+][C@@H](C)c2nccn2CC)c1 ZINC000449563441 373832214 /nfs/dbraw/zinc/83/22/14/373832214.db2.gz VDYAHXWRIYBMMY-AWEZNQCLSA-N 1 1 285.391 3.319 20 30 CGEDMO CCO[C@@H]1CC[N@@H+](CC(C)(C)CCC#N)C[C@H]1C ZINC000449489959 373779180 /nfs/dbraw/zinc/77/91/80/373779180.db2.gz BITKCFMLUMEYHW-ZIAGYGMSSA-N 1 1 252.402 3.063 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)CC1(C(=O)OC)CC1 ZINC000450215179 374002322 /nfs/dbraw/zinc/00/23/22/374002322.db2.gz LVCDIGUNCMFZCN-UHFFFAOYSA-N 1 1 299.823 3.343 20 30 CGEDMO N#CC1(C[N@@H+](Cc2cccc(F)c2)C2CC2)CCC1 ZINC000450269453 374031734 /nfs/dbraw/zinc/03/17/34/374031734.db2.gz ISZHLLRRFGJRSA-UHFFFAOYSA-N 1 1 258.340 3.484 20 30 CGEDMO N#CC1(C[N@H+](Cc2cccc(F)c2)C2CC2)CCC1 ZINC000450269453 374031740 /nfs/dbraw/zinc/03/17/40/374031740.db2.gz ISZHLLRRFGJRSA-UHFFFAOYSA-N 1 1 258.340 3.484 20 30 CGEDMO C[C@H](CCN[C@H]1CCc2ccc(C#N)cc21)[NH+]1CCCCC1 ZINC000353675890 220247585 /nfs/dbraw/zinc/24/75/85/220247585.db2.gz INIZZYUASBCRPS-BEFAXECRSA-N 1 1 297.446 3.400 20 30 CGEDMO C[C@H]([NH2+][C@H](CO)c1ccccc1)c1ccc(C#N)cc1F ZINC000305801778 374113420 /nfs/dbraw/zinc/11/34/20/374113420.db2.gz DOOGGMHRBYCOLV-YVEFUNNKSA-N 1 1 284.334 3.082 20 30 CGEDMO N#CC1(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)CCC1 ZINC000450437046 374129028 /nfs/dbraw/zinc/12/90/28/374129028.db2.gz KHDIPEHZLPQZJF-OAHLLOKOSA-N 1 1 262.397 3.104 20 30 CGEDMO CSCC[N@H+](C)Cc1ccc(C#N)cc1Br ZINC000181149408 374086672 /nfs/dbraw/zinc/08/66/72/374086672.db2.gz AHTFWIRUWLWENX-UHFFFAOYSA-N 1 1 299.237 3.116 20 30 CGEDMO CSCC[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC000181149408 374086680 /nfs/dbraw/zinc/08/66/80/374086680.db2.gz AHTFWIRUWLWENX-UHFFFAOYSA-N 1 1 299.237 3.116 20 30 CGEDMO C=C(C)C[N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000181331310 374109024 /nfs/dbraw/zinc/10/90/24/374109024.db2.gz BNCXVGBRAVZSPE-UHFFFAOYSA-N 1 1 295.386 3.246 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000181331310 374109029 /nfs/dbraw/zinc/10/90/29/374109029.db2.gz BNCXVGBRAVZSPE-UHFFFAOYSA-N 1 1 295.386 3.246 20 30 CGEDMO CN(CC1(C#N)CCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000450450923 374137949 /nfs/dbraw/zinc/13/79/49/374137949.db2.gz GGZOEDGGRWKOEC-GOSISDBHSA-N 1 1 297.446 3.277 20 30 CGEDMO N#CCC[N@@H+](CC1CC1)C[C@H]1CCCCC1(F)F ZINC000450463103 374146879 /nfs/dbraw/zinc/14/68/79/374146879.db2.gz MEJFGVOBRXTZLX-CYBMUJFWSA-N 1 1 256.340 3.438 20 30 CGEDMO CC(C)C[C@@H]1CC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000307781321 374151748 /nfs/dbraw/zinc/15/17/48/374151748.db2.gz VARJKFAQJGPMMY-INIZCTEOSA-N 1 1 272.392 3.305 20 30 CGEDMO C=CC[N@H+](Cc1ccc(C(=O)OC)c(Cl)c1)C1CC1 ZINC000450650769 374169782 /nfs/dbraw/zinc/16/97/82/374169782.db2.gz ZSPWINDEJLZTPX-UHFFFAOYSA-N 1 1 279.767 3.277 20 30 CGEDMO Cc1cc(C#N)cc(N[C@@H](C)C[N@@H+](C)Cc2ccccc2)n1 ZINC000309832726 374199583 /nfs/dbraw/zinc/19/95/83/374199583.db2.gz SQUXQHPEVJXVGP-HNNXBMFYSA-N 1 1 294.402 3.194 20 30 CGEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@@H]3CCC[C@H]32)c1 ZINC000316018330 374332721 /nfs/dbraw/zinc/33/27/21/374332721.db2.gz ZVGASBMAOSRBPH-DOTOQJQBSA-N 1 1 297.402 3.151 20 30 CGEDMO C[C@@H](C1CCC1)[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000325556020 374358368 /nfs/dbraw/zinc/35/83/68/374358368.db2.gz LKDQKEGGLYAOLS-ZDUSSCGKSA-N 1 1 285.391 3.007 20 30 CGEDMO Cc1ocnc1C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000328686908 374377473 /nfs/dbraw/zinc/37/74/73/374377473.db2.gz GPXVQHIPYAPYIW-IUODEOHRSA-N 1 1 299.374 3.123 20 30 CGEDMO Cc1ocnc1C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000328686910 374377663 /nfs/dbraw/zinc/37/76/63/374377663.db2.gz GPXVQHIPYAPYIW-SWLSCSKDSA-N 1 1 299.374 3.123 20 30 CGEDMO CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000453377897 374463922 /nfs/dbraw/zinc/46/39/22/374463922.db2.gz ZHOJUELWXGZJGS-NWDGAFQWSA-N 1 1 286.354 3.326 20 30 CGEDMO COc1ncc(C)cc1NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000329877019 374438328 /nfs/dbraw/zinc/43/83/28/374438328.db2.gz IRSIQJUUGFPUSD-ZDUSSCGKSA-N 1 1 291.395 3.251 20 30 CGEDMO C[N@@H+](Cc1cccnc1)Cc1cccc(OCCCC#N)c1 ZINC000183660846 374441024 /nfs/dbraw/zinc/44/10/24/374441024.db2.gz YSKNOEXDDRLUKV-UHFFFAOYSA-N 1 1 295.386 3.396 20 30 CGEDMO C[C@@H](C[N@@H+](C)Cc1ccc(C#N)cc1)c1nccs1 ZINC000183945197 374475975 /nfs/dbraw/zinc/47/59/75/374475975.db2.gz BKHHLSSNCAPPSR-LBPRGKRZSA-N 1 1 271.389 3.250 20 30 CGEDMO N#Cc1c(C[N@H+]2CCCC3(CC3)C2)cn2ccccc12 ZINC000187011812 374957504 /nfs/dbraw/zinc/95/75/04/374957504.db2.gz APQKEBWCWPVFKU-UHFFFAOYSA-N 1 1 265.360 3.187 20 30 CGEDMO C=CCOCCC[N@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000470778131 374998700 /nfs/dbraw/zinc/99/87/00/374998700.db2.gz BJDOUHMRUBGTKU-INIZCTEOSA-N 1 1 261.409 3.451 20 30 CGEDMO C=CCOCCC[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000470726236 374999713 /nfs/dbraw/zinc/99/97/13/374999713.db2.gz LGATXLDXGGWHKT-KRWDZBQOSA-N 1 1 277.383 3.425 20 30 CGEDMO C=CC[N@H+](C[C@H](O)CCOC(C)C)CC1CCCCC1 ZINC000472153896 375009539 /nfs/dbraw/zinc/00/95/39/375009539.db2.gz HZYHGAPENAYFMQ-QGZVFWFLSA-N 1 1 283.456 3.231 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](C)CCCCc1ccccc1 ZINC000472770707 375033229 /nfs/dbraw/zinc/03/32/29/375033229.db2.gz KQFGJHOGPISTRV-KRWDZBQOSA-N 1 1 261.409 3.268 20 30 CGEDMO C=C(C)[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccc(F)c(F)c1 ZINC000187790434 375095552 /nfs/dbraw/zinc/09/55/52/375095552.db2.gz UBUSPSVAZKHVPK-VXGBXAGGSA-N 1 1 295.251 3.095 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)o1 ZINC000187594493 375052148 /nfs/dbraw/zinc/05/21/48/375052148.db2.gz ARGXURXEBAHVQZ-NSHDSACASA-N 1 1 288.297 3.419 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)o1 ZINC000187594493 375052154 /nfs/dbraw/zinc/05/21/54/375052154.db2.gz ARGXURXEBAHVQZ-NSHDSACASA-N 1 1 288.297 3.419 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000473608063 375055343 /nfs/dbraw/zinc/05/53/43/375055343.db2.gz CXYMFXGZDWGLDO-QGZVFWFLSA-N 1 1 280.456 3.312 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000129635231 296225803 /nfs/dbraw/zinc/22/58/03/296225803.db2.gz LVRZUHLPYWLYQA-MPGHIAIKSA-N 1 1 294.402 3.399 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](CN(CC)CC(F)(F)F)C1 ZINC000477757146 375144745 /nfs/dbraw/zinc/14/47/45/375144745.db2.gz SBNUDZCHPQQNKA-CYBMUJFWSA-N 1 1 278.362 3.159 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)N[C@@H](c1ccc(C)cc1)C1CC1 ZINC000481234230 375163290 /nfs/dbraw/zinc/16/32/90/375163290.db2.gz IZHQLZBFLZTRQF-SFHVURJKSA-N 1 1 286.419 3.070 20 30 CGEDMO C(#Cc1ccccc1)C[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000484062994 375184545 /nfs/dbraw/zinc/18/45/45/375184545.db2.gz FBKGVBXMDMGEFS-IBGZPJMESA-N 1 1 291.394 3.439 20 30 CGEDMO C[C@@H]1CCCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000187918339 375115480 /nfs/dbraw/zinc/11/54/80/375115480.db2.gz DQMSFHLBKPCMLO-CQSZACIVSA-N 1 1 285.391 3.009 20 30 CGEDMO CC#CCC[N@@H+]1CCC[C@]1(Cc1ccccc1)C(=O)OCC ZINC000484305183 375186852 /nfs/dbraw/zinc/18/68/52/375186852.db2.gz UYBGCMTYMOIYMX-IBGZPJMESA-N 1 1 299.414 3.040 20 30 CGEDMO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)CC#Cc1ccccc1 ZINC000484084817 375186893 /nfs/dbraw/zinc/18/68/93/375186893.db2.gz LQODBPWKGWNPKP-JXFKEZNVSA-N 1 1 291.394 3.362 20 30 CGEDMO Cc1cc(C[N@H+]2CC[C@H](c3cccnc3)C2)ccc1C#N ZINC000335419833 375279061 /nfs/dbraw/zinc/27/90/61/375279061.db2.gz ZQLYSXTWYPECTB-SFHVURJKSA-N 1 1 277.371 3.251 20 30 CGEDMO COCC[N@@H+](CC#Cc1ccccc1)[C@@H]1CCC[C@H]1C ZINC000487966966 375289676 /nfs/dbraw/zinc/28/96/76/375289676.db2.gz YEVVWGIFSBQBOE-SJLPKXTDSA-N 1 1 271.404 3.175 20 30 CGEDMO COCC[N@@H+](CCCC(C)(C)C#N)[C@@H]1CCC[C@H]1C ZINC000487964939 375290041 /nfs/dbraw/zinc/29/00/41/375290041.db2.gz VIUWMBOPNRBRRU-HUUCEWRRSA-N 1 1 266.429 3.453 20 30 CGEDMO C[C@H]1COC(C)(C)C[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000488235735 375306642 /nfs/dbraw/zinc/30/66/42/375306642.db2.gz UJSZCNQTXADMCZ-AWEZNQCLSA-N 1 1 286.419 3.487 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1OC ZINC000489433508 375317755 /nfs/dbraw/zinc/31/77/55/375317755.db2.gz HONKGZNFUIOHQM-HNNXBMFYSA-N 1 1 256.349 3.107 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000335377126 375267008 /nfs/dbraw/zinc/26/70/08/375267008.db2.gz AHRYZEICLOHFSO-RHSMWYFYSA-N 1 1 288.366 3.088 20 30 CGEDMO CCCc1nc(C)c(C[NH2+]Cc2ccc(C#N)s2)o1 ZINC000492023720 375396007 /nfs/dbraw/zinc/39/60/07/375396007.db2.gz MYIBXIZZINWUGZ-UHFFFAOYSA-N 1 1 275.377 3.159 20 30 CGEDMO CC1=C(c2ccco2)C[N@H+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000335767437 375413427 /nfs/dbraw/zinc/41/34/27/375413427.db2.gz MPMXVBCUSJCTKV-KBPBESRZSA-N 1 1 256.349 3.451 20 30 CGEDMO C=CC[N@@H+](C)CCOc1ccc(Cl)cc1Cl ZINC000494644267 375490013 /nfs/dbraw/zinc/49/00/13/375490013.db2.gz ZYUYGALHJQHNBJ-UHFFFAOYSA-N 1 1 260.164 3.490 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000496261716 375525441 /nfs/dbraw/zinc/52/54/41/375525441.db2.gz HECBMPGRMFUDGN-OAHLLOKOSA-N 1 1 294.439 3.027 20 30 CGEDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191198188 375594062 /nfs/dbraw/zinc/59/40/62/375594062.db2.gz VVTXQEIAECFTLZ-GFCCVEGCSA-N 1 1 271.339 3.229 20 30 CGEDMO Cn1cc(C[N@@H+](C)[C@H]2CCc3ccccc32)cc1C#N ZINC000191207820 375594696 /nfs/dbraw/zinc/59/46/96/375594696.db2.gz ZPUKJOGLZCNNPD-KRWDZBQOSA-N 1 1 265.360 3.016 20 30 CGEDMO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191207280 375594958 /nfs/dbraw/zinc/59/49/58/375594958.db2.gz DTQZMLQCUOIVBK-NSHDSACASA-N 1 1 289.329 3.368 20 30 CGEDMO COc1ccc([C@@H](C)[N@@H+](C)Cc2cc(C#N)n(C)c2)cc1 ZINC000191209875 375597240 /nfs/dbraw/zinc/59/72/40/375597240.db2.gz PMBPTTNZTVIFIC-CYBMUJFWSA-N 1 1 283.375 3.098 20 30 CGEDMO CCS[C@H]1CCCC[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000191355532 375616175 /nfs/dbraw/zinc/61/61/75/375616175.db2.gz GWMSBTFCYKSZAD-HNNXBMFYSA-N 1 1 277.437 3.004 20 30 CGEDMO C[C@@H]1CC[N@H+](Cc2nc(C#N)cs2)CC12CCC2 ZINC000336011883 375616281 /nfs/dbraw/zinc/61/62/81/375616281.db2.gz LVZDVUKJWPYPAI-LLVKDONJSA-N 1 1 261.394 3.027 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2nc(C#N)cs2)CC12CCC2 ZINC000336011883 375616286 /nfs/dbraw/zinc/61/62/86/375616286.db2.gz LVZDVUKJWPYPAI-LLVKDONJSA-N 1 1 261.394 3.027 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2cc(C#N)n(C)c2)[C@H](c2ccco2)C1 ZINC000191422886 375626185 /nfs/dbraw/zinc/62/61/85/375626185.db2.gz BSADEYZHFYHENL-BBRMVZONSA-N 1 1 283.375 3.463 20 30 CGEDMO CC(C)C[C@@]1(CO)CCC[N@H+]1CCCC(C)(C)C#N ZINC000191648240 375647092 /nfs/dbraw/zinc/64/70/92/375647092.db2.gz MKRPRFQVIXMAGK-MRXNPFEDSA-N 1 1 266.429 3.189 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@](F)(c2ccccc2C)C1 ZINC000502952356 375648103 /nfs/dbraw/zinc/64/81/03/375648103.db2.gz LDWFYEHVTVENON-QGZVFWFLSA-N 1 1 277.383 3.458 20 30 CGEDMO CCC[N@@H+](CCCC#N)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502876107 375648469 /nfs/dbraw/zinc/64/84/69/375648469.db2.gz HAOJXQNLFQTVPS-OAHLLOKOSA-N 1 1 287.407 3.419 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCCC2(CCOCC2)C1 ZINC000336026076 375630933 /nfs/dbraw/zinc/63/09/33/375630933.db2.gz OVEIEMOQUZGTSK-UHFFFAOYSA-N 1 1 288.366 3.090 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(OC)cc2c1O[C@H](C)C2 ZINC000505842754 375661687 /nfs/dbraw/zinc/66/16/87/375661687.db2.gz PNIQOOXAKMLMCI-CYBMUJFWSA-N 1 1 275.392 3.417 20 30 CGEDMO C=CC[N@@H+](CCOCC(C)C)Cc1ccccc1F ZINC000501076024 375639752 /nfs/dbraw/zinc/63/97/52/375639752.db2.gz JTCJUGOIOLJSTG-UHFFFAOYSA-N 1 1 265.372 3.486 20 30 CGEDMO C=CC[N@H+](CCOCC(C)C)Cc1ccccc1F ZINC000501076024 375639762 /nfs/dbraw/zinc/63/97/62/375639762.db2.gz JTCJUGOIOLJSTG-UHFFFAOYSA-N 1 1 265.372 3.486 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCc3ccccc3C2)cc1F ZINC000191870057 375671131 /nfs/dbraw/zinc/67/11/31/375671131.db2.gz DLBNPKHODJCYNL-UHFFFAOYSA-N 1 1 266.319 3.256 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCc3ccccc3C2)cc1F ZINC000191870057 375671136 /nfs/dbraw/zinc/67/11/36/375671136.db2.gz DLBNPKHODJCYNL-UHFFFAOYSA-N 1 1 266.319 3.256 20 30 CGEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2ncccc2CC)CC1 ZINC000507486800 375706914 /nfs/dbraw/zinc/70/69/14/375706914.db2.gz PJFIFFJITPAJKI-OAHLLOKOSA-N 1 1 287.451 3.335 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)CCS1 ZINC000192188050 375707463 /nfs/dbraw/zinc/70/74/63/375707463.db2.gz PVFSWQCMKMNRRQ-LLVKDONJSA-N 1 1 264.369 3.025 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)CCS1 ZINC000192178208 375707505 /nfs/dbraw/zinc/70/75/05/375707505.db2.gz AWTVBCQJAPASAQ-LLVKDONJSA-N 1 1 264.369 3.025 20 30 CGEDMO C=C(C)C[N@H+](CCCCC)Cc1ccc(CO)o1 ZINC000512147574 375794667 /nfs/dbraw/zinc/79/46/67/375794667.db2.gz LHSDFFRWJOCMEM-UHFFFAOYSA-N 1 1 251.370 3.340 20 30 CGEDMO C=CC[N@H+](CCCc1cncn1C)CC1CCCCC1 ZINC000514946159 375807880 /nfs/dbraw/zinc/80/78/80/375807880.db2.gz BQTBDHUDWQJMHD-UHFFFAOYSA-N 1 1 275.440 3.421 20 30 CGEDMO CC(C)(C)[N@H+]1CCCN(c2cccc(F)c2C#N)CC1 ZINC000523080184 375879568 /nfs/dbraw/zinc/87/95/68/375879568.db2.gz RQMOQLLDULZLKQ-UHFFFAOYSA-N 1 1 275.371 3.008 20 30 CGEDMO C=CC[N@H+](C)Cc1cc(OC)cc(C(F)(F)F)c1 ZINC000529549172 375928551 /nfs/dbraw/zinc/92/85/51/375928551.db2.gz GRCBTIJACZYDAY-UHFFFAOYSA-N 1 1 259.271 3.332 20 30 CGEDMO CC[N@H+](Cc1cc(C)n(C)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000336837112 375999331 /nfs/dbraw/zinc/99/93/31/375999331.db2.gz NBJTUJLNJWJJGG-CQSZACIVSA-N 1 1 282.391 3.183 20 30 CGEDMO CC[N@@H+](Cc1cc(C)n(C)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000336837112 375999342 /nfs/dbraw/zinc/99/93/42/375999342.db2.gz NBJTUJLNJWJJGG-CQSZACIVSA-N 1 1 282.391 3.183 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2CCC(C)C)C1=O ZINC000337176078 376116082 /nfs/dbraw/zinc/11/60/82/376116082.db2.gz IMKZWLLYFLHJTL-HOTGVXAUSA-N 1 1 278.440 3.064 20 30 CGEDMO N#Cc1ccc(C[N@@H+](CCc2ccncc2)C2CC2)cc1 ZINC000194967343 376064279 /nfs/dbraw/zinc/06/42/79/376064279.db2.gz YLRKPXOFXUMCBP-UHFFFAOYSA-N 1 1 277.371 3.160 20 30 CGEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(C(C)C)cc1 ZINC000536180195 376081875 /nfs/dbraw/zinc/08/18/75/376081875.db2.gz NTRMBQIBQKBWJN-QGZVFWFLSA-N 1 1 286.419 3.249 20 30 CGEDMO COc1cccc(C[C@@H]2CCC[N@H+]2CC2(C#N)CC2)c1 ZINC000537210591 376154935 /nfs/dbraw/zinc/15/49/35/376154935.db2.gz LKZAADBKVIFWDF-HNNXBMFYSA-N 1 1 270.376 3.006 20 30 CGEDMO C=C(CC)C[N@@H+](CCOC)CCOc1ccc(F)cc1 ZINC000538001851 376217772 /nfs/dbraw/zinc/21/77/72/376217772.db2.gz FRRQKQMEAQNEKO-UHFFFAOYSA-N 1 1 281.371 3.119 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2c2ccccn2)c1F ZINC000538146925 376223454 /nfs/dbraw/zinc/22/34/54/376223454.db2.gz AFJFQZRPAXBZCJ-MRXNPFEDSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]2c2ccccn2)c1F ZINC000538146925 376223459 /nfs/dbraw/zinc/22/34/59/376223459.db2.gz AFJFQZRPAXBZCJ-MRXNPFEDSA-N 1 1 281.334 3.429 20 30 CGEDMO C=CCCc1ccccc1NC(=O)C[N@H+](C)C(C)C ZINC000337524384 376227513 /nfs/dbraw/zinc/22/75/13/376227513.db2.gz AWAUMKMXIYRGET-UHFFFAOYSA-N 1 1 260.381 3.084 20 30 CGEDMO COc1cccc(C[N@H+](CCC#N)CCC(C)C)c1 ZINC000337684053 376235327 /nfs/dbraw/zinc/23/53/27/376235327.db2.gz XUNITCHDEBHMDI-UHFFFAOYSA-N 1 1 260.381 3.457 20 30 CGEDMO COc1cccc(C[N@@H+](CCC#N)CCC(C)C)c1 ZINC000337684053 376235332 /nfs/dbraw/zinc/23/53/32/376235332.db2.gz XUNITCHDEBHMDI-UHFFFAOYSA-N 1 1 260.381 3.457 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000538371416 376236958 /nfs/dbraw/zinc/23/69/58/376236958.db2.gz QHOANZRPSZFKAS-ARFHVFGLSA-N 1 1 295.471 3.245 20 30 CGEDMO C=CCCC[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000541699894 376473233 /nfs/dbraw/zinc/47/32/33/376473233.db2.gz OEODZLOILHSKAA-KRWDZBQOSA-N 1 1 259.393 3.286 20 30 CGEDMO COc1cc(C[N@@H+](CC(C)C)C2CC2)ccc1C#N ZINC000234941698 376624874 /nfs/dbraw/zinc/62/48/74/376624874.db2.gz LUGINJQOGRGASE-UHFFFAOYSA-N 1 1 258.365 3.187 20 30 CGEDMO C[C@@H]1C[N@@H+](CCOc2ccc(C#N)cc2)[C@H]2CCCC[C@H]12 ZINC000543903033 376686492 /nfs/dbraw/zinc/68/64/92/376686492.db2.gz MNPKDJBVFAQOIA-OLMNPRSZSA-N 1 1 284.403 3.448 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCC(=O)N(CCC#N)CC(C)(C)C ZINC000339274747 376744685 /nfs/dbraw/zinc/74/46/85/376744685.db2.gz LGDLQVBOKILAOC-HNNXBMFYSA-N 1 1 293.455 3.039 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCSCC#N)[C@@H](c2ccccc2)CO1 ZINC000245482195 376829709 /nfs/dbraw/zinc/82/97/09/376829709.db2.gz DDKNARAULMUVTN-GDBMZVCRSA-N 1 1 290.432 3.095 20 30 CGEDMO Cc1cc(C[N@H+]2CCOC[C@H]2CC2CCC2)ccc1C#N ZINC000339777758 376843162 /nfs/dbraw/zinc/84/31/62/376843162.db2.gz QBZQAEIJJCQCRI-GOSISDBHSA-N 1 1 284.403 3.258 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000245962089 376945189 /nfs/dbraw/zinc/94/51/89/376945189.db2.gz YJGXXNZVJQYKDX-HRCADAONSA-N 1 1 295.471 3.103 20 30 CGEDMO C[C@H](CN[C@@H](C)c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000245965372 376945443 /nfs/dbraw/zinc/94/54/43/376945443.db2.gz YWQIBVQDTGZJJK-OAGGEKHMSA-N 1 1 285.435 3.329 20 30 CGEDMO C[C@H](CN[C@@H](C)c1cccc(C#N)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000245965372 376945446 /nfs/dbraw/zinc/94/54/46/376945446.db2.gz YWQIBVQDTGZJJK-OAGGEKHMSA-N 1 1 285.435 3.329 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@@H]2Cc2ccccc2)cc1C#N ZINC000340196614 376946534 /nfs/dbraw/zinc/94/65/34/376946534.db2.gz YQIRHUUVWCSXEG-GOSISDBHSA-N 1 1 292.382 3.384 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCC(F)(F)C1 ZINC000340288362 376984296 /nfs/dbraw/zinc/98/42/96/376984296.db2.gz ZZICEEKBSJKMRG-AWEZNQCLSA-N 1 1 264.319 3.425 20 30 CGEDMO CC[C@@H](C)[N@H+](C)CCN[C@@H](CC)c1ccc(C#N)cc1 ZINC000559984452 377111876 /nfs/dbraw/zinc/11/18/76/377111876.db2.gz IWNXWMKMVPXTML-PBHICJAKSA-N 1 1 273.424 3.329 20 30 CGEDMO CC[C@@H](C)[N@@H+](C)CCN[C@@H](CC)c1ccc(C#N)cc1 ZINC000559984452 377111882 /nfs/dbraw/zinc/11/18/82/377111882.db2.gz IWNXWMKMVPXTML-PBHICJAKSA-N 1 1 273.424 3.329 20 30 CGEDMO C[C@@H]1CC[N@@H+](CCCC(C)(C)C#N)C[C@H]1n1ccnc1 ZINC000246712016 377075053 /nfs/dbraw/zinc/07/50/53/377075053.db2.gz XZBFRKTXTFMZKG-HUUCEWRRSA-N 1 1 274.412 3.096 20 30 CGEDMO C=CC[C@@H](C)[C@@H](C)[NH2+][C@H](CC)C(=O)OC(C)(C)C ZINC000561712567 377241120 /nfs/dbraw/zinc/24/11/20/377241120.db2.gz KCGWISQBWPOCRX-JHJVBQTASA-N 1 1 255.402 3.297 20 30 CGEDMO C=C(C)CC[N@@H+](C[C@@H](C)c1ccccc1)[C@@H](C)CO ZINC000561910428 377251580 /nfs/dbraw/zinc/25/15/80/377251580.db2.gz WUFLPUZHJAHNJF-CVEARBPZSA-N 1 1 261.409 3.439 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCCSCC2)c(OC(F)F)c1 ZINC000340774658 377254444 /nfs/dbraw/zinc/25/44/44/377254444.db2.gz MIZOZJVYPJXRGX-UHFFFAOYSA-N 1 1 298.358 3.099 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCSCC2)c(OC(F)F)c1 ZINC000340774658 377254453 /nfs/dbraw/zinc/25/44/53/377254453.db2.gz MIZOZJVYPJXRGX-UHFFFAOYSA-N 1 1 298.358 3.099 20 30 CGEDMO CC[C@H](CC#N)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000248401795 377308834 /nfs/dbraw/zinc/30/88/34/377308834.db2.gz SUGIAEJHDQAHEY-OIISXLGYSA-N 1 1 271.408 3.104 20 30 CGEDMO CC[C@H](CC#N)[NH2+][C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000248401795 377308839 /nfs/dbraw/zinc/30/88/39/377308839.db2.gz SUGIAEJHDQAHEY-OIISXLGYSA-N 1 1 271.408 3.104 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)cc1F ZINC000248883506 377420712 /nfs/dbraw/zinc/42/07/12/377420712.db2.gz QCVPMGNPARYFOU-XJKSGUPXSA-N 1 1 258.340 3.462 20 30 CGEDMO CC[C@@]1(C)C[N@@H+]([C@H](C)c2cccc(C#N)c2)CCO1 ZINC000248911072 377428162 /nfs/dbraw/zinc/42/81/62/377428162.db2.gz IZDWTMLGWCZLBJ-CJNGLKHVSA-N 1 1 258.365 3.120 20 30 CGEDMO CC[C@@]1(C)C[N@H+]([C@H](C)c2cccc(C#N)c2)CCO1 ZINC000248911072 377428169 /nfs/dbraw/zinc/42/81/69/377428169.db2.gz IZDWTMLGWCZLBJ-CJNGLKHVSA-N 1 1 258.365 3.120 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)C[C@@H]1CC[C@@H](C)O1 ZINC000248955087 377432671 /nfs/dbraw/zinc/43/26/71/377432671.db2.gz ALCGXCUJZUSYAQ-HIFRSBDPSA-N 1 1 252.402 3.206 20 30 CGEDMO N#C[C@@H]1CCC[C@H](N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000248800109 377402286 /nfs/dbraw/zinc/40/22/86/377402286.db2.gz JOVBJMINIJTDKI-NEWSRXKRSA-N 1 1 297.446 3.495 20 30 CGEDMO CCC[C@@H]1C[N@@H+]([C@H](C)c2cccc(C#N)c2)CCO1 ZINC000249289188 377486155 /nfs/dbraw/zinc/48/61/55/377486155.db2.gz QLACKGYLCYVURL-CZUORRHYSA-N 1 1 258.365 3.120 20 30 CGEDMO CCC[C@@H]1C[N@H+]([C@H](C)c2cccc(C#N)c2)CCO1 ZINC000249289188 377486162 /nfs/dbraw/zinc/48/61/62/377486162.db2.gz QLACKGYLCYVURL-CZUORRHYSA-N 1 1 258.365 3.120 20 30 CGEDMO C=CCNC(=O)C[N@H+]([C@H](C)c1ccccc1)C1CCCC1 ZINC000565742363 377489399 /nfs/dbraw/zinc/48/93/99/377489399.db2.gz CJOLUUIAESUQHQ-OAHLLOKOSA-N 1 1 286.419 3.294 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000249509744 377510557 /nfs/dbraw/zinc/51/05/57/377510557.db2.gz NGNITJBJWDXNFO-SOUVJXGZSA-N 1 1 266.429 3.062 20 30 CGEDMO C[C@H]1CCC[C@@](C[NH2+]Cc2cc(C#N)cs2)(N(C)C)C1 ZINC000093492512 249037350 /nfs/dbraw/zinc/03/73/50/249037350.db2.gz XWDSZBQXZULMFH-XJKSGUPXSA-N 1 1 291.464 3.220 20 30 CGEDMO C[C@@H]1CCC[C@@](C[NH2+]Cc2cc(C#N)cs2)(N(C)C)C1 ZINC000093492511 249037654 /nfs/dbraw/zinc/03/76/54/249037654.db2.gz XWDSZBQXZULMFH-CZUORRHYSA-N 1 1 291.464 3.220 20 30 CGEDMO CCn1cc(C[N@@H+](C)CCCCC(C)(C)C#N)cn1 ZINC000572006665 377544358 /nfs/dbraw/zinc/54/43/58/377544358.db2.gz QMLHCAITFNPCAV-UHFFFAOYSA-N 1 1 262.401 3.055 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000573654439 377558264 /nfs/dbraw/zinc/55/82/64/377558264.db2.gz MEZGUSXCRWKJSO-SFHVURJKSA-N 1 1 265.422 3.212 20 30 CGEDMO Cc1cccc2[nH]c(C[NH2+]Cc3ccc(C#N)c(C)c3)nc21 ZINC000443984590 249137626 /nfs/dbraw/zinc/13/76/26/249137626.db2.gz GYUMKEBPXWVERS-UHFFFAOYSA-N 1 1 290.370 3.341 20 30 CGEDMO Cc1cccc2nc(C[NH2+]Cc3ccc(C#N)c(C)c3)[nH]c21 ZINC000443984590 249137631 /nfs/dbraw/zinc/13/76/31/249137631.db2.gz GYUMKEBPXWVERS-UHFFFAOYSA-N 1 1 290.370 3.341 20 30 CGEDMO Cc1cc(C[N@H+]2CC(C)(C)[C@H]2C2CC2)ccc1C#N ZINC000574446020 377663828 /nfs/dbraw/zinc/66/38/28/377663828.db2.gz XOHYPOLKCGVEQR-MRXNPFEDSA-N 1 1 254.377 3.487 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1CC ZINC000342764056 377777119 /nfs/dbraw/zinc/77/71/19/377777119.db2.gz IUIDCGYPWCCCIC-CYBMUJFWSA-N 1 1 260.381 3.084 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000342767154 377780487 /nfs/dbraw/zinc/78/04/87/377780487.db2.gz XKSUIARUOSYJCC-AWEZNQCLSA-N 1 1 260.381 3.138 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000342719368 377753730 /nfs/dbraw/zinc/75/37/30/377753730.db2.gz IRVSNIUCBPAEMA-KBPBESRZSA-N 1 1 292.448 3.308 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000342727496 377758388 /nfs/dbraw/zinc/75/83/88/377758388.db2.gz UNYGFHSUGUODFS-OAHLLOKOSA-N 1 1 292.810 3.343 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000342731676 377760306 /nfs/dbraw/zinc/76/03/06/377760306.db2.gz MAUNCDSNWQNEKV-UHFFFAOYSA-N 1 1 254.717 3.256 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)N[C@H](CC)c1ccc(Cl)cc1 ZINC000342735585 377764168 /nfs/dbraw/zinc/76/41/68/377764168.db2.gz IAEDGRSIPGZERL-OAHLLOKOSA-N 1 1 294.826 3.415 20 30 CGEDMO N#Cc1ccc2ncc(C[N@@H+](CC3CC3)CC3CCC3)n2c1 ZINC000342849111 377834653 /nfs/dbraw/zinc/83/46/53/377834653.db2.gz GRUXKAOIGVQABC-UHFFFAOYSA-N 1 1 294.402 3.218 20 30 CGEDMO C[N@H+](Cc1ccc(OC(F)(F)F)cc1)CC1(C#N)CC1 ZINC000343234100 377935852 /nfs/dbraw/zinc/93/58/52/377935852.db2.gz ARNPBWJXHBSUKA-UHFFFAOYSA-N 1 1 284.281 3.321 20 30 CGEDMO C[N@@H+](Cc1ccc(OC(F)(F)F)cc1)CC1(C#N)CC1 ZINC000343234100 377935860 /nfs/dbraw/zinc/93/58/60/377935860.db2.gz ARNPBWJXHBSUKA-UHFFFAOYSA-N 1 1 284.281 3.321 20 30 CGEDMO COc1ccccc1C[N@@H+](CCCCC#N)C1CC1 ZINC000263815807 377950807 /nfs/dbraw/zinc/95/08/07/377950807.db2.gz OMGUPOJEKXNVQS-UHFFFAOYSA-N 1 1 258.365 3.353 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000343481545 377992566 /nfs/dbraw/zinc/99/25/66/377992566.db2.gz FKVZVYDHMAPVBF-UHFFFAOYSA-N 1 1 261.365 3.340 20 30 CGEDMO N#Cc1ccc(Cl)cc1N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265520705 378004963 /nfs/dbraw/zinc/00/49/63/378004963.db2.gz LYQKZCXJYVQBNB-UHFFFAOYSA-N 1 1 286.766 3.319 20 30 CGEDMO CC(C)[C@@H](C)[N@@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000578450387 378071256 /nfs/dbraw/zinc/07/12/56/378071256.db2.gz YCEFLEUVCAZENI-PBHICJAKSA-N 1 1 299.418 3.030 20 30 CGEDMO C=CCCCC[N@H+](CCOC)[C@@H]1CCCSC1 ZINC000578484572 378072497 /nfs/dbraw/zinc/07/24/97/378072497.db2.gz INUILECVZMSKJC-CQSZACIVSA-N 1 1 257.443 3.187 20 30 CGEDMO C[N@@H+](CCC1CCOCC1)Cc1ccc(CC#N)cc1 ZINC000343560697 378020966 /nfs/dbraw/zinc/02/09/66/378020966.db2.gz VPOKDIVTOHXWBM-UHFFFAOYSA-N 1 1 272.392 3.001 20 30 CGEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CC(C)(C)C1 ZINC000344012388 378153923 /nfs/dbraw/zinc/15/39/23/378153923.db2.gz BUVGGVYHPPGTQO-CQSZACIVSA-N 1 1 299.418 3.255 20 30 CGEDMO CC[N@@H+](CCC(F)(F)F)Cc1ccc(OCC#N)cc1 ZINC000731211761 572401599 /nfs/dbraw/zinc/40/15/99/572401599.db2.gz ABTUEBFEVQJGCX-UHFFFAOYSA-N 1 1 286.297 3.363 20 30 CGEDMO COc1cccc(C2([NH2+]Cc3ccc(C#N)cc3F)CC2)c1 ZINC000269442017 378221704 /nfs/dbraw/zinc/22/17/04/378221704.db2.gz SVIIBDRVTCYTNU-UHFFFAOYSA-N 1 1 296.345 3.485 20 30 CGEDMO Cc1ccccc1C[C@H]1CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000580781987 378258147 /nfs/dbraw/zinc/25/81/47/378258147.db2.gz PDEQOOCQNRESNQ-LJQANCHMSA-N 1 1 291.398 3.469 20 30 CGEDMO C#CCC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000270534561 378365962 /nfs/dbraw/zinc/36/59/62/378365962.db2.gz GGCZDFMGKPPLHM-KRWDZBQOSA-N 1 1 285.412 3.307 20 30 CGEDMO CC[N@@H+](CCn1ccnc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000270678597 378388021 /nfs/dbraw/zinc/38/80/21/378388021.db2.gz UCKVJCSDJRTSBV-CQSZACIVSA-N 1 1 282.391 3.146 20 30 CGEDMO C=C1CC[NH+](Cc2cnc(N(CC)CC)s2)CC1 ZINC000271152644 378462736 /nfs/dbraw/zinc/46/27/36/378462736.db2.gz FRJBTOHOKWJGHE-UHFFFAOYSA-N 1 1 265.426 3.141 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000271027211 378432052 /nfs/dbraw/zinc/43/20/52/378432052.db2.gz KKHAJOSHRDAMLV-OAHLLOKOSA-N 1 1 273.351 3.134 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+](Cc1ccccc1C)C1CC1 ZINC000346455750 378584009 /nfs/dbraw/zinc/58/40/09/378584009.db2.gz AHTNOHQHKLLGOO-UHFFFAOYSA-N 1 1 298.430 3.160 20 30 CGEDMO COc1ccc(CNc2ccc3[nH]c[nH+]c3c2)cc1C#N ZINC000346687023 378675422 /nfs/dbraw/zinc/67/54/22/378675422.db2.gz SUWVZNSROJEUBR-UHFFFAOYSA-N 1 1 278.315 3.055 20 30 CGEDMO N#CCC[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000346742472 378685855 /nfs/dbraw/zinc/68/58/55/378685855.db2.gz TWONPIUVRCJIHG-UHFFFAOYSA-N 1 1 276.343 3.029 20 30 CGEDMO CC(C)C[N@@H+](CCCC#N)Cc1ccc(C#N)cc1 ZINC000346773669 378687093 /nfs/dbraw/zinc/68/70/93/378687093.db2.gz CGNUJNGNDBHQII-UHFFFAOYSA-N 1 1 255.365 3.320 20 30 CGEDMO C=C(CC)C[N@@H+](Cc1cccs1)[C@@H]1C=C[C@@H](CO)C1 ZINC000347359165 378717982 /nfs/dbraw/zinc/71/79/82/378717982.db2.gz WFIKYGLTERSGPZ-HUUCEWRRSA-N 1 1 277.433 3.453 20 30 CGEDMO C#CC[N@@H+](Cc1cc(OC)c(OC)cc1SC)C1CC1 ZINC000274110756 378777248 /nfs/dbraw/zinc/77/72/48/378777248.db2.gz LLMVSIDLSDLCLE-UHFFFAOYSA-N 1 1 291.416 3.023 20 30 CGEDMO C#CC[N@H+](Cc1cc(OC)c(OC)cc1SC)C1CC1 ZINC000274110756 378777254 /nfs/dbraw/zinc/77/72/54/378777254.db2.gz LLMVSIDLSDLCLE-UHFFFAOYSA-N 1 1 291.416 3.023 20 30 CGEDMO C[N@@H+]1CC=C(CNc2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000274210079 378793294 /nfs/dbraw/zinc/79/32/94/378793294.db2.gz KUELCBUQXBPMRL-UHFFFAOYSA-N 1 1 295.308 3.251 20 30 CGEDMO C=C(C)CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274748799 378887383 /nfs/dbraw/zinc/88/73/83/378887383.db2.gz AARMCNDRPTYXRD-SFHVURJKSA-N 1 1 272.436 3.407 20 30 CGEDMO C=C(C)CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274748799 378887389 /nfs/dbraw/zinc/88/73/89/378887389.db2.gz AARMCNDRPTYXRD-SFHVURJKSA-N 1 1 272.436 3.407 20 30 CGEDMO C=C(C)CC[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274748799 378887392 /nfs/dbraw/zinc/88/73/92/378887392.db2.gz AARMCNDRPTYXRD-SFHVURJKSA-N 1 1 272.436 3.407 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274748799 378887402 /nfs/dbraw/zinc/88/74/02/378887402.db2.gz AARMCNDRPTYXRD-SFHVURJKSA-N 1 1 272.436 3.407 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000274780443 378893962 /nfs/dbraw/zinc/89/39/62/378893962.db2.gz KQODORXEDPGGGX-UHFFFAOYSA-N 1 1 288.391 3.159 20 30 CGEDMO C=CC[C@@H](C(=O)NCCC[N@H+](C)C(C)C)c1ccccc1 ZINC000275143270 378943498 /nfs/dbraw/zinc/94/34/98/378943498.db2.gz NKBLIMQDMQMKIP-QGZVFWFLSA-N 1 1 288.435 3.193 20 30 CGEDMO CC[C@@H](C)C[N@@H+](CC)Cc1ccc(C#N)cc1OC ZINC000347254794 218171166 /nfs/dbraw/zinc/17/11/66/218171166.db2.gz JQBOBRZPPNNATJ-CYBMUJFWSA-N 1 1 260.381 3.435 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H](OC)[C@H](C)CC ZINC000639162917 379081864 /nfs/dbraw/zinc/08/18/64/379081864.db2.gz UQPPSKFPYMINFC-RHSMWYFYSA-N 1 1 295.423 3.211 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@@H]2c2cccnc2)ccc1C#N ZINC000348903802 379107424 /nfs/dbraw/zinc/10/74/24/379107424.db2.gz HTNISNJOCLRMRJ-QGZVFWFLSA-N 1 1 293.370 3.299 20 30 CGEDMO CC(C)CCO[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000192063899 542263651 /nfs/dbraw/zinc/26/36/51/542263651.db2.gz BGBSTYCQLZDAJC-GOSISDBHSA-N 1 1 271.404 3.175 20 30 CGEDMO CCOCC[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000349288496 379217359 /nfs/dbraw/zinc/21/73/59/379217359.db2.gz PMBWXOJBSAQBMJ-UHFFFAOYSA-N 1 1 260.381 3.053 20 30 CGEDMO Cn1cc(C[C@H]2CC[N@@H+](CCCCC(C)(C)C#N)C2)cn1 ZINC000375404392 379497049 /nfs/dbraw/zinc/49/70/49/379497049.db2.gz MEUBYLQSLFEFOS-OAHLLOKOSA-N 1 1 288.439 3.005 20 30 CGEDMO C[N@@H+](CCCC(=O)OC(C)(C)C)CCCC(C)(C)C#N ZINC000350058279 379490042 /nfs/dbraw/zinc/49/00/42/379490042.db2.gz DQVAMPBKNKEWOZ-UHFFFAOYSA-N 1 1 282.428 3.370 20 30 CGEDMO C=CC[N@@H+](C)CC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000639595161 379496700 /nfs/dbraw/zinc/49/67/00/379496700.db2.gz GIHJXQAXNCNQGC-PHIMTYICSA-N 1 1 263.303 3.042 20 30 CGEDMO C=CC[N@H+](C)CC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000639595161 379496705 /nfs/dbraw/zinc/49/67/05/379496705.db2.gz GIHJXQAXNCNQGC-PHIMTYICSA-N 1 1 263.303 3.042 20 30 CGEDMO C=CCC[N@@H+]1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000375705813 379505061 /nfs/dbraw/zinc/50/50/61/379505061.db2.gz QFEIVXWNTVEZBN-UHFFFAOYSA-N 1 1 280.412 3.038 20 30 CGEDMO C=CC1CC[NH+](Cc2ncc(CSC)s2)CC1 ZINC000351583960 379730004 /nfs/dbraw/zinc/73/00/04/379730004.db2.gz RFPFNBQGGSCYPD-UHFFFAOYSA-N 1 1 268.451 3.404 20 30 CGEDMO C=C(C)CCN1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000351872587 379748196 /nfs/dbraw/zinc/74/81/96/379748196.db2.gz DUBXXSOYDYPZRJ-OWCLPIDISA-N 1 1 250.430 3.290 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000352285523 379759000 /nfs/dbraw/zinc/75/90/00/379759000.db2.gz GIBOSZYNDQOKRX-FCEWJHQRSA-N 1 1 297.446 3.395 20 30 CGEDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1ccc(C#N)nc1 ZINC000267415892 190328261 /nfs/dbraw/zinc/32/82/61/190328261.db2.gz SQQJXZTULGXDTI-UHFFFAOYSA-N 1 1 294.402 3.406 20 30 CGEDMO Cc1cc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)nn1C ZINC000282097651 379852313 /nfs/dbraw/zinc/85/23/13/379852313.db2.gz IMNQKMNYFBKKBF-OLZOCXBDSA-N 1 1 268.364 3.012 20 30 CGEDMO C=CCCC(C)(C)NC(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC000640619134 379825606 /nfs/dbraw/zinc/82/56/06/379825606.db2.gz YVXBXBIJOMZIKV-UHFFFAOYSA-N 1 1 290.411 3.010 20 30 CGEDMO C=CCCC[C@H](C)n1cc(C[NH+]2CCCCC2)nn1 ZINC000641235591 379970487 /nfs/dbraw/zinc/97/04/87/379970487.db2.gz UTYKTVOIXURVEO-AWEZNQCLSA-N 1 1 262.401 3.181 20 30 CGEDMO C=CCCC[C@H](C)n1cc(C[NH+](CC)CC)nn1 ZINC000641235312 379970586 /nfs/dbraw/zinc/97/05/86/379970586.db2.gz ZYHRLICITYZNDM-ZDUSSCGKSA-N 1 1 250.390 3.037 20 30 CGEDMO Cc1cccc(C(C)(C)[NH2+]Cc2nc(C#N)cs2)c1 ZINC000352839118 379994343 /nfs/dbraw/zinc/99/43/43/379994343.db2.gz RZMIGILJTKETST-UHFFFAOYSA-N 1 1 271.389 3.348 20 30 CGEDMO CCCNc1ccc(C[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000352950611 380053033 /nfs/dbraw/zinc/05/30/33/380053033.db2.gz TVXJBMFLGNEKJR-UHFFFAOYSA-N 1 1 286.404 3.126 20 30 CGEDMO CCOC1CC2(C1)CC[N@@H+](Cc1cccc(C#N)c1F)C2 ZINC000353017952 380075659 /nfs/dbraw/zinc/07/56/59/380075659.db2.gz DDCYZEOJOKMCLA-UHFFFAOYSA-N 1 1 288.366 3.088 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCc1cncs1 ZINC000411297342 380137974 /nfs/dbraw/zinc/13/79/74/380137974.db2.gz MDUHDVGBXQEISG-IRXDYDNUSA-N 1 1 297.427 3.457 20 30 CGEDMO CC[N@H+]1C[C@@H](C)N(CCC2(C#N)CCCCC2)C[C@@H]1C ZINC000411428653 380146514 /nfs/dbraw/zinc/14/65/14/380146514.db2.gz QEQYIIHRYAACMN-JKSUJKDBSA-N 1 1 277.456 3.265 20 30 CGEDMO CCN1C[C@@H](C)[N@H+](CCC2(C#N)CCCCC2)C[C@@H]1C ZINC000411428653 380146517 /nfs/dbraw/zinc/14/65/17/380146517.db2.gz QEQYIIHRYAACMN-JKSUJKDBSA-N 1 1 277.456 3.265 20 30 CGEDMO CCN1C[C@@H](C)[N@@H+](CCC2(C#N)CCCCC2)C[C@@H]1C ZINC000411428653 380146519 /nfs/dbraw/zinc/14/65/19/380146519.db2.gz QEQYIIHRYAACMN-JKSUJKDBSA-N 1 1 277.456 3.265 20 30 CGEDMO C[C@H]1C[C@@H](Nc2ncccc2C#N)C[N@H+]1Cc1ccccc1 ZINC000268117714 190378447 /nfs/dbraw/zinc/37/84/47/190378447.db2.gz FDVFQMPTBKRCJH-WMLDXEAASA-N 1 1 292.386 3.028 20 30 CGEDMO CCC[N@@H+](CC)C[C@@H](C)NCc1ccc(C#N)c(C)c1 ZINC000353095913 380112078 /nfs/dbraw/zinc/11/20/78/380112078.db2.gz QEHLQAJTNGZXHZ-OAHLLOKOSA-N 1 1 273.424 3.077 20 30 CGEDMO CCCN(CC)C[C@@H](C)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000353095913 380112084 /nfs/dbraw/zinc/11/20/84/380112084.db2.gz QEHLQAJTNGZXHZ-OAHLLOKOSA-N 1 1 273.424 3.077 20 30 CGEDMO COCC[N@@H+](CCCCCF)Cc1ccc(C#N)cc1 ZINC000284116620 380127878 /nfs/dbraw/zinc/12/78/78/380127878.db2.gz NJQAEBCDUAMMAW-UHFFFAOYSA-N 1 1 278.371 3.146 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)NCCCC ZINC000411134276 380130017 /nfs/dbraw/zinc/13/00/17/380130017.db2.gz JEEINRXMTYKSFS-ZDUSSCGKSA-N 1 1 280.437 3.041 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)NCCCC ZINC000411134276 380130029 /nfs/dbraw/zinc/13/00/29/380130029.db2.gz JEEINRXMTYKSFS-ZDUSSCGKSA-N 1 1 280.437 3.041 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000411558949 380152118 /nfs/dbraw/zinc/15/21/18/380152118.db2.gz MSUFDCHEXMSMKE-PBHICJAKSA-N 1 1 270.376 3.200 20 30 CGEDMO CCC[N@@H+]1CCC[C@@H]1CN[C@@H](C)c1cccc(C#N)c1 ZINC000353972746 380260197 /nfs/dbraw/zinc/26/01/97/380260197.db2.gz OPGCLECPEGMAIW-WMLDXEAASA-N 1 1 271.408 3.083 20 30 CGEDMO CCC[N@H+]1CCC[C@@H]1CN[C@@H](C)c1cccc(C#N)c1 ZINC000353972746 380260202 /nfs/dbraw/zinc/26/02/02/380260202.db2.gz OPGCLECPEGMAIW-WMLDXEAASA-N 1 1 271.408 3.083 20 30 CGEDMO CCCC[N@H+](C)C[C@H](C)N[C@H]1CCc2ccc(C#N)cc21 ZINC000353566491 380212722 /nfs/dbraw/zinc/21/27/22/380212722.db2.gz DLCQYULYZKVIIU-KSSFIOAISA-N 1 1 285.435 3.256 20 30 CGEDMO CCCC[N@@H+](C)C[C@H](C)N[C@H]1CCc2ccc(C#N)cc21 ZINC000353566491 380212725 /nfs/dbraw/zinc/21/27/25/380212725.db2.gz DLCQYULYZKVIIU-KSSFIOAISA-N 1 1 285.435 3.256 20 30 CGEDMO CCOc1cc(C[N@H+](C)CC(C)(C)C#N)ccc1OC ZINC000354017111 380280369 /nfs/dbraw/zinc/28/03/69/380280369.db2.gz GZXBDPFXONYPTH-UHFFFAOYSA-N 1 1 276.380 3.075 20 30 CGEDMO CCOc1cc(C[N@@H+](C)CC(C)(C)C#N)ccc1OC ZINC000354017111 380280373 /nfs/dbraw/zinc/28/03/73/380280373.db2.gz GZXBDPFXONYPTH-UHFFFAOYSA-N 1 1 276.380 3.075 20 30 CGEDMO C=CCCC1(C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000354559692 380485503 /nfs/dbraw/zinc/48/55/03/380485503.db2.gz BIPBEARJOGFVDC-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCOCC[N@H+](CCC)CCc1cccc(F)c1 ZINC000645087386 380575059 /nfs/dbraw/zinc/57/50/59/380575059.db2.gz JCYMIVBQWQLNBA-UHFFFAOYSA-N 1 1 265.372 3.283 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000355200773 380619656 /nfs/dbraw/zinc/61/96/56/380619656.db2.gz NMRLKSAWDIUYBH-KSSFIOAISA-N 1 1 287.403 3.251 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000355200773 380619666 /nfs/dbraw/zinc/61/96/66/380619666.db2.gz NMRLKSAWDIUYBH-KSSFIOAISA-N 1 1 287.403 3.251 20 30 CGEDMO CCC[N@@H+](Cc1cc(C)nn1C)Cc1ccc(C#N)cc1 ZINC000417709174 380668635 /nfs/dbraw/zinc/66/86/35/380668635.db2.gz ARAGWIFQOBVLCQ-UHFFFAOYSA-N 1 1 282.391 3.012 20 30 CGEDMO CC[N@@H+](Cc1cc(C)nn1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000417721051 380670231 /nfs/dbraw/zinc/67/02/31/380670231.db2.gz SWRQOWFYRDQSSC-AWEZNQCLSA-N 1 1 282.391 3.183 20 30 CGEDMO CC[N@@H+](Cc1nc(C#N)cs1)[C@H]1CCCC[C@@H]1C ZINC000419248251 380788204 /nfs/dbraw/zinc/78/82/04/380788204.db2.gz CNCVHEPSPOOFNB-AAEUAGOBSA-N 1 1 263.410 3.415 20 30 CGEDMO C=CCCCC[N@H+]1Cc2ccccc2C[C@H]1C(=O)NC1CC1 ZINC000645994673 380793464 /nfs/dbraw/zinc/79/34/64/380793464.db2.gz HLMRHLSEURINCB-SFHVURJKSA-N 1 1 298.430 3.048 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H](C)[C@H]1C ZINC000419375982 380820197 /nfs/dbraw/zinc/82/01/97/380820197.db2.gz SJCDUSHMEQVIKD-AGIUHOORSA-N 1 1 296.374 3.085 20 30 CGEDMO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1CCC(C)(C)C#N ZINC000420929271 380864055 /nfs/dbraw/zinc/86/40/55/380864055.db2.gz QHDSCGOONLYXMX-KBPBESRZSA-N 1 1 294.439 3.368 20 30 CGEDMO CC[N@@H+](CCOc1ccccc1C)[C@H](C)CCC#N ZINC000420971381 380865851 /nfs/dbraw/zinc/86/58/51/380865851.db2.gz HWCPZLCDWYPEOA-OAHLLOKOSA-N 1 1 260.381 3.388 20 30 CGEDMO N#CCSCCC[N@H+]1CC[C@@H](C2CCCC2)C1 ZINC000420958316 380867031 /nfs/dbraw/zinc/86/70/31/380867031.db2.gz BZXUQVHZRRNRMT-CQSZACIVSA-N 1 1 252.427 3.145 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@H]1C[C@@H](O)C1 ZINC000420897731 380860772 /nfs/dbraw/zinc/86/07/72/380860772.db2.gz DAMGGJGUKAPCEH-PHIMTYICSA-N 1 1 271.813 3.160 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000279287530 194369233 /nfs/dbraw/zinc/36/92/33/194369233.db2.gz PCKWDIXYMQQKPT-UHFFFAOYSA-N 1 1 263.406 3.261 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)cc1C#N ZINC000421392161 380939407 /nfs/dbraw/zinc/93/94/07/380939407.db2.gz QEWGRJONCSHKTR-NSHDSACASA-N 1 1 285.313 3.061 20 30 CGEDMO C[C@@H]1C[C@@H](Nc2cccnc2C#N)C[N@H+]1Cc1ccccc1 ZINC000357533046 381198710 /nfs/dbraw/zinc/19/87/10/381198710.db2.gz PKYVOFYHWBCELL-GDBMZVCRSA-N 1 1 292.386 3.028 20 30 CGEDMO C=CCN1CCC([NH2+]Cc2ccsc2Cl)CC1 ZINC000359733845 381365023 /nfs/dbraw/zinc/36/50/23/381365023.db2.gz IKYVHHTXWOCRNO-UHFFFAOYSA-N 1 1 270.829 3.142 20 30 CGEDMO CCCC[N@@H+](C)C[C@H](C)Nc1nc(C)c(C#N)cc1Cl ZINC000359951934 381385384 /nfs/dbraw/zinc/38/53/84/381385384.db2.gz GPPRGJMEVDVESJ-NSHDSACASA-N 1 1 294.830 3.447 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)C[C@@H](O)CCC(C)C ZINC000361317265 381692673 /nfs/dbraw/zinc/69/26/73/381692673.db2.gz YOEBLJOYGUJELS-HNNXBMFYSA-N 1 1 265.397 3.107 20 30 CGEDMO CC[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)CC1CCC1 ZINC000361484065 381768355 /nfs/dbraw/zinc/76/83/55/381768355.db2.gz HIQVYCZLYGVJMW-UHFFFAOYSA-N 1 1 296.374 3.230 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](CC1CC1)C1CCC1 ZINC000361584155 381817336 /nfs/dbraw/zinc/81/73/36/381817336.db2.gz MRRUJLHPXPPIRV-UHFFFAOYSA-N 1 1 270.376 3.331 20 30 CGEDMO C=CC[N@H+](Cc1ccc(-n2ccnc2)cc1C)C1CC1 ZINC000361865293 381873146 /nfs/dbraw/zinc/87/31/46/381873146.db2.gz MKWMVCTUALBZNE-UHFFFAOYSA-N 1 1 267.376 3.331 20 30 CGEDMO C=CC[N@@H+](Cc1cc(OC)ccc1Cl)C1CC1 ZINC000361864658 381873886 /nfs/dbraw/zinc/87/38/86/381873886.db2.gz CFEALUDCRUBNFA-UHFFFAOYSA-N 1 1 251.757 3.499 20 30 CGEDMO C=CC[N@H+](Cc1cc(OC)ccc1Cl)C1CC1 ZINC000361864658 381873892 /nfs/dbraw/zinc/87/38/92/381873892.db2.gz CFEALUDCRUBNFA-UHFFFAOYSA-N 1 1 251.757 3.499 20 30 CGEDMO CC[C@@]1(C)CCC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000362391589 381972956 /nfs/dbraw/zinc/97/29/56/381972956.db2.gz QZOYDSMKMXLSSO-KDOFPFPSSA-N 1 1 299.418 3.397 20 30 CGEDMO COCC[N@H+](Cc1ccco1)Cc1ccc(C#N)c(C)c1 ZINC000362963701 382167680 /nfs/dbraw/zinc/16/76/80/382167680.db2.gz OQVLISRBNNVERY-UHFFFAOYSA-N 1 1 284.359 3.108 20 30 CGEDMO COCC[N@@H+](Cc1ccco1)Cc1ccc(C#N)c(C)c1 ZINC000362963701 382167685 /nfs/dbraw/zinc/16/76/85/382167685.db2.gz OQVLISRBNNVERY-UHFFFAOYSA-N 1 1 284.359 3.108 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000366557238 382313471 /nfs/dbraw/zinc/31/34/71/382313471.db2.gz PDULXDWAXXVNAN-OAHLLOKOSA-N 1 1 264.413 3.065 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H]2c2nccs2)cc1 ZINC000367377087 382346438 /nfs/dbraw/zinc/34/64/38/382346438.db2.gz GXLYIGRMZUMBCN-HNNXBMFYSA-N 1 1 268.385 3.462 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC[C@H]2c2nccs2)cc1 ZINC000367377087 382346442 /nfs/dbraw/zinc/34/64/42/382346442.db2.gz GXLYIGRMZUMBCN-HNNXBMFYSA-N 1 1 268.385 3.462 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H]1CCC=CO1 ZINC000365793611 382295055 /nfs/dbraw/zinc/29/50/55/382295055.db2.gz GNTRYHYUEHCVBK-KSZLIROESA-N 1 1 282.387 3.451 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H]1CCC=CO1 ZINC000365793611 382295060 /nfs/dbraw/zinc/29/50/60/382295060.db2.gz GNTRYHYUEHCVBK-KSZLIROESA-N 1 1 282.387 3.451 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000367966200 382361815 /nfs/dbraw/zinc/36/18/15/382361815.db2.gz OJFNZGGSQWPWKU-ZIAGYGMSSA-N 1 1 264.413 3.206 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000335377125 208312662 /nfs/dbraw/zinc/31/26/62/208312662.db2.gz AHRYZEICLOHFSO-PBHICJAKSA-N 1 1 288.366 3.088 20 30 CGEDMO C#CCOc1ccccc1C[NH2+][C@H](C)c1ccc(C)o1 ZINC000034993686 260003445 /nfs/dbraw/zinc/00/34/45/260003445.db2.gz MFYZJYMQGXLPDM-CQSZACIVSA-N 1 1 269.344 3.451 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000365626572 262376136 /nfs/dbraw/zinc/37/61/36/262376136.db2.gz XQPWKVDCUABTKW-LSDHHAIUSA-N 1 1 276.424 3.350 20 30 CGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC(C)(C)C[C@H]1C ZINC000412050758 533332474 /nfs/dbraw/zinc/33/24/74/533332474.db2.gz ZJPDCKNOSAKDBW-OLZOCXBDSA-N 1 1 285.391 3.006 20 30 CGEDMO C[N@@H+](CCOc1ccccc1C#N)CCc1ccccc1 ZINC000060477881 392122556 /nfs/dbraw/zinc/12/25/56/392122556.db2.gz FHKSXFAYFCOCGL-UHFFFAOYSA-N 1 1 280.371 3.112 20 30 CGEDMO N#Cc1ccc(Cl)cc1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000062785322 392133136 /nfs/dbraw/zinc/13/31/36/392133136.db2.gz XLHVVZQDRMMTEB-LLVKDONJSA-N 1 1 275.783 3.108 20 30 CGEDMO C[C@H]1C[NH+](Cc2cc(C#N)ccc2F)C[C@H](C)S1 ZINC000070383172 392182236 /nfs/dbraw/zinc/18/22/36/392182236.db2.gz NLLQFUSAIULEIL-QWRGUYRKSA-N 1 1 264.369 3.023 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC)nc1)Cc1cccc(C#N)c1 ZINC000085789056 392225117 /nfs/dbraw/zinc/22/51/17/392225117.db2.gz KYJVIXKGEMGPFL-UHFFFAOYSA-N 1 1 293.370 3.150 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)nc1)Cc1cccc(C#N)c1 ZINC000085789056 392225120 /nfs/dbraw/zinc/22/51/20/392225120.db2.gz KYJVIXKGEMGPFL-UHFFFAOYSA-N 1 1 293.370 3.150 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1cc(-c2ccccc2)on1 ZINC000286121555 392377009 /nfs/dbraw/zinc/37/70/09/392377009.db2.gz MEYCWELOQHJMIE-UHFFFAOYSA-N 1 1 254.333 3.185 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1cc(-c2ccccc2)on1 ZINC000286121555 392377018 /nfs/dbraw/zinc/37/70/18/392377018.db2.gz MEYCWELOQHJMIE-UHFFFAOYSA-N 1 1 254.333 3.185 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000123956865 392432157 /nfs/dbraw/zinc/43/21/57/392432157.db2.gz PADFGZGWROTYES-MRXNPFEDSA-N 1 1 299.418 3.220 20 30 CGEDMO C=CCCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000121088073 392408681 /nfs/dbraw/zinc/40/86/81/392408681.db2.gz LVYFDZCLSKJRCJ-CYBMUJFWSA-N 1 1 288.391 3.114 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000121088073 392408693 /nfs/dbraw/zinc/40/86/93/392408693.db2.gz LVYFDZCLSKJRCJ-CYBMUJFWSA-N 1 1 288.391 3.114 20 30 CGEDMO CCc1nc(C)c(C[NH2+][C@H](C)c2cccc(C#N)c2)o1 ZINC000292019279 392497586 /nfs/dbraw/zinc/49/75/86/392497586.db2.gz ZOLPXAUWFBKAPB-LLVKDONJSA-N 1 1 269.348 3.268 20 30 CGEDMO CCn1ccnc1[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000296098183 392554642 /nfs/dbraw/zinc/55/46/42/392554642.db2.gz UEQDKEGWPCUWJG-STQMWFEESA-N 1 1 268.364 3.186 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000373914244 392664720 /nfs/dbraw/zinc/66/47/20/392664720.db2.gz VIJGLMHAUVTAHA-QKPAOTATSA-N 1 1 251.414 3.214 20 30 CGEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@H+]2CCCCC#N)C1 ZINC000373910611 392665269 /nfs/dbraw/zinc/66/52/69/392665269.db2.gz HABJQNBUFRRHQO-NCOADZHNSA-N 1 1 278.440 3.332 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000374306277 392676548 /nfs/dbraw/zinc/67/65/48/392676548.db2.gz CRTLLAZYHOFAPH-DLBZAZTESA-N 1 1 293.455 3.278 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@@H]2COc3c2cccc3Cl)cc1 ZINC000372672516 392626051 /nfs/dbraw/zinc/62/60/51/392626051.db2.gz CTDFYJANAZWJGS-OAHLLOKOSA-N 1 1 284.746 3.435 20 30 CGEDMO Cc1ccccc1[C@H]1C[N@@H+](CCCCC#N)[C@H](C)CO1 ZINC000173833350 392630326 /nfs/dbraw/zinc/63/03/26/392630326.db2.gz SRRPGHNTXCSGIR-NVXWUHKLSA-N 1 1 272.392 3.451 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1CC ZINC000181330520 392727760 /nfs/dbraw/zinc/72/77/60/392727760.db2.gz DWYBFGMNIQOBNH-ZDUSSCGKSA-N 1 1 260.381 3.084 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1CC ZINC000181330520 392727768 /nfs/dbraw/zinc/72/77/68/392727768.db2.gz DWYBFGMNIQOBNH-ZDUSSCGKSA-N 1 1 260.381 3.084 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000183370858 392755605 /nfs/dbraw/zinc/75/56/05/392755605.db2.gz WKAYDAFQLWIGBK-GOSISDBHSA-N 1 1 296.345 3.351 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000183370858 392755613 /nfs/dbraw/zinc/75/56/13/392755613.db2.gz WKAYDAFQLWIGBK-GOSISDBHSA-N 1 1 296.345 3.351 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCOC3(C2)CCCCCC3)C1 ZINC000334325259 392720463 /nfs/dbraw/zinc/72/04/63/392720463.db2.gz GBAKQHHEGXDQMA-HUUCEWRRSA-N 1 1 262.397 3.104 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)c(C(F)(F)F)c1 ZINC000335157531 392778448 /nfs/dbraw/zinc/77/84/48/392778448.db2.gz SIIWDGAOEFOERZ-RYUDHWBXSA-N 1 1 298.333 3.267 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CS3)c(C(F)(F)F)c1 ZINC000335157531 392778454 /nfs/dbraw/zinc/77/84/54/392778454.db2.gz SIIWDGAOEFOERZ-RYUDHWBXSA-N 1 1 298.333 3.267 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1CN1CCCCC1 ZINC000186201935 392778715 /nfs/dbraw/zinc/77/87/15/392778715.db2.gz JOKJIKHAEJKJOE-LJQANCHMSA-N 1 1 297.446 3.317 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1CN1CCCCC1 ZINC000186201935 392778721 /nfs/dbraw/zinc/77/87/21/392778721.db2.gz JOKJIKHAEJKJOE-LJQANCHMSA-N 1 1 297.446 3.317 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@H]1CCCc2c1cnn2C ZINC000186310424 392783033 /nfs/dbraw/zinc/78/30/33/392783033.db2.gz KFLFLDQSASHALO-KRWDZBQOSA-N 1 1 294.402 3.110 20 30 CGEDMO C[C@@H]1CC[C@@H](C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)O1 ZINC000190460456 392815989 /nfs/dbraw/zinc/81/59/89/392815989.db2.gz BHLKVLWRASRMPA-DYVFJYSZSA-N 1 1 270.376 3.090 20 30 CGEDMO Cc1cccc(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000376213522 392874502 /nfs/dbraw/zinc/87/45/02/392874502.db2.gz ZEPYTDSMLSFWBM-LJQANCHMSA-N 1 1 292.382 3.440 20 30 CGEDMO Cc1cccc(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)c1 ZINC000376213522 392874508 /nfs/dbraw/zinc/87/45/08/392874508.db2.gz ZEPYTDSMLSFWBM-LJQANCHMSA-N 1 1 292.382 3.440 20 30 CGEDMO C[C@H]1C[N@@H+](CCOCCC#N)CC[C@H]1c1ccccc1 ZINC000339005755 392939838 /nfs/dbraw/zinc/93/98/38/392939838.db2.gz WWTQQHZTEKHVEE-DOTOQJQBSA-N 1 1 272.392 3.042 20 30 CGEDMO CC(C)(C)[C@H]1CCC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459321262 392940274 /nfs/dbraw/zinc/94/02/74/392940274.db2.gz BAGUDVMDVAHPMN-OAHLLOKOSA-N 1 1 287.363 3.477 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCCNCc1ccc(C#N)c(F)c1 ZINC000404052424 392962400 /nfs/dbraw/zinc/96/24/00/392962400.db2.gz KILBOSSXTDDCGL-AWEZNQCLSA-N 1 1 289.398 3.051 20 30 CGEDMO CCC[C@]1(CO)CCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411644939 392983490 /nfs/dbraw/zinc/98/34/90/392983490.db2.gz NVJGUUARHWGWIZ-QGZVFWFLSA-N 1 1 278.440 3.478 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1csc(C(=O)OC)c1 ZINC000411658884 392983975 /nfs/dbraw/zinc/98/39/75/392983975.db2.gz XQSLOYKTHOARID-GFCCVEGCSA-N 1 1 265.378 3.075 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1csc(C(=O)OC)c1 ZINC000411658884 392983980 /nfs/dbraw/zinc/98/39/80/392983980.db2.gz XQSLOYKTHOARID-GFCCVEGCSA-N 1 1 265.378 3.075 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000411688035 392984280 /nfs/dbraw/zinc/98/42/80/392984280.db2.gz HPQOXFNUZZUBON-HUUCEWRRSA-N 1 1 286.423 3.091 20 30 CGEDMO CC[C@@H]1C[N@H+](CCC2(C#N)CCCCC2)C[C@H](C)[S@@]1=O ZINC000411720065 392986902 /nfs/dbraw/zinc/98/69/02/392986902.db2.gz OZSJTMYWTDNYCF-MDOVXXIYSA-N 1 1 296.480 3.082 20 30 CGEDMO CC[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)C[C@H](C)[S@@]1=O ZINC000411720065 392986905 /nfs/dbraw/zinc/98/69/05/392986905.db2.gz OZSJTMYWTDNYCF-MDOVXXIYSA-N 1 1 296.480 3.082 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)[C@H](C)CC(=O)OCC)cc1 ZINC000346316533 393084363 /nfs/dbraw/zinc/08/43/63/393084363.db2.gz ANFIJQQXBIUOHW-CQSZACIVSA-N 1 1 291.391 3.025 20 30 CGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CC1CCC1 ZINC000348208534 393116000 /nfs/dbraw/zinc/11/60/00/393116000.db2.gz SWHHOCDOJZMHND-OAHLLOKOSA-N 1 1 299.418 3.054 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)Cc2ccco2)cc1 ZINC000349617564 393151166 /nfs/dbraw/zinc/15/11/66/393151166.db2.gz PRRWZJSXCKKLTB-UHFFFAOYSA-N 1 1 257.333 3.476 20 30 CGEDMO CC(=O)c1ccc(C#N)c(NCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000273234253 393273908 /nfs/dbraw/zinc/27/39/08/393273908.db2.gz RZOGYPLBVGUSRO-CYBMUJFWSA-N 1 1 285.391 3.047 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000649249395 393386035 /nfs/dbraw/zinc/38/60/35/393386035.db2.gz HIOIIRWCOZXHIR-ZDUSSCGKSA-N 1 1 273.298 3.074 20 30 CGEDMO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)Cc1nc(C#N)cs1 ZINC000356132736 393360234 /nfs/dbraw/zinc/36/02/34/393360234.db2.gz WDJPBVAHKVMNMB-CHWSQXEVSA-N 1 1 293.436 3.040 20 30 CGEDMO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356132736 393360239 /nfs/dbraw/zinc/36/02/39/393360239.db2.gz WDJPBVAHKVMNMB-CHWSQXEVSA-N 1 1 293.436 3.040 20 30 CGEDMO COc1ccc(C[N@H+]2CC(C)(C)[C@@H]2C2CC2)cc1C#N ZINC000356302162 393415771 /nfs/dbraw/zinc/41/57/71/393415771.db2.gz VFRONRRAYAUPFK-INIZCTEOSA-N 1 1 270.376 3.187 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@](C)(c2cccc(F)c2)C1 ZINC000649663482 393531464 /nfs/dbraw/zinc/53/14/64/393531464.db2.gz HOHIWAAVNJAMGE-IRXDYDNUSA-N 1 1 277.383 3.116 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000359080828 393534688 /nfs/dbraw/zinc/53/46/88/393534688.db2.gz KOFBVIWEQSAOOA-OWCLPIDISA-N 1 1 278.440 3.207 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@@H]1Cn1c(C)nc2ccccc21 ZINC000360493623 393568184 /nfs/dbraw/zinc/56/81/84/393568184.db2.gz YAUZXKSAPUFDRJ-MRXNPFEDSA-N 1 1 281.403 3.223 20 30 CGEDMO C=C(CC)CN1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000360627197 393571803 /nfs/dbraw/zinc/57/18/03/393571803.db2.gz KCSXABSLFMXHCN-AWEZNQCLSA-N 1 1 264.438 3.393 20 30 CGEDMO C[C@@H](CCN(C)C)[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360837729 393595604 /nfs/dbraw/zinc/59/56/04/393595604.db2.gz RBDRICJRCOOSEW-KSSFIOAISA-N 1 1 285.435 3.256 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)[C@H](C)CCCC=C)n1 ZINC000491507840 393694216 /nfs/dbraw/zinc/69/42/16/393694216.db2.gz XMBJPVTVBBGEHF-OAHLLOKOSA-N 1 1 259.397 3.083 20 30 CGEDMO Cc1cc(CNC[C@@H](C2CCCCC2)[NH+](C)C)ccc1C#N ZINC000443972396 393779366 /nfs/dbraw/zinc/77/93/66/393779366.db2.gz XXYOMWFQTVSKKN-IBGZPJMESA-N 1 1 299.462 3.467 20 30 CGEDMO CCC(CC)[C@H](CNCc1ccc(C#N)c(C)c1)[NH+](C)C ZINC000443988683 393780273 /nfs/dbraw/zinc/78/02/73/393780273.db2.gz JAYGFHYSCJEKJN-SFHVURJKSA-N 1 1 287.451 3.323 20 30 CGEDMO Cc1cc(C[NH2+]C[C@H](C(C)C)N2CCCC2)ccc1C#N ZINC000443989096 393780490 /nfs/dbraw/zinc/78/04/90/393780490.db2.gz KEIGISNXIJRRFL-GOSISDBHSA-N 1 1 285.435 3.077 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)cc1 ZINC000449543558 393892722 /nfs/dbraw/zinc/89/27/22/393892722.db2.gz SZPQWEKKPOZQHU-DLBZAZTESA-N 1 1 252.361 3.179 20 30 CGEDMO C[C@@H]1C[C@@H](C)[NH+]1Cc1ccc(C#N)cc1OC(F)F ZINC000548753491 289020691 /nfs/dbraw/zinc/02/06/91/289020691.db2.gz BUEQKTZHXASILR-NXEZZACHSA-N 1 1 266.291 3.142 20 30 CGEDMO CCC#C[C@H](C)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000671723138 543181247 /nfs/dbraw/zinc/18/12/47/543181247.db2.gz GXMUBMFYBLOERL-ICSRJNTNSA-N 1 1 296.458 3.386 20 30 CGEDMO CCC#C[C@H](C)[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000671723138 543181257 /nfs/dbraw/zinc/18/12/57/543181257.db2.gz GXMUBMFYBLOERL-ICSRJNTNSA-N 1 1 296.458 3.386 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000671723138 543181258 /nfs/dbraw/zinc/18/12/58/543181258.db2.gz GXMUBMFYBLOERL-ICSRJNTNSA-N 1 1 296.458 3.386 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cc(OC)c(OC)cc1C ZINC000117871260 397655642 /nfs/dbraw/zinc/65/56/42/397655642.db2.gz JBJYPFHESKEGQS-UHFFFAOYSA-N 1 1 263.381 3.410 20 30 CGEDMO C=C(C)C[N@@H+](CC)C[C@H](O)COc1ccccc1C(C)C ZINC000046342239 397628556 /nfs/dbraw/zinc/62/85/56/397628556.db2.gz YXZILUGBRCRDJC-INIZCTEOSA-N 1 1 291.435 3.448 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000047959612 397636020 /nfs/dbraw/zinc/63/60/20/397636020.db2.gz PJBRNBAHPAMBCC-INIZCTEOSA-N 1 1 288.435 3.412 20 30 CGEDMO C=CCC[C@@H](NC[C@@H](C)[N@H+](C)C1CC1)c1ccco1 ZINC000286270999 397671570 /nfs/dbraw/zinc/67/15/70/397671570.db2.gz VJDHIBZKMDZZSC-UKRRQHHQSA-N 1 1 262.397 3.359 20 30 CGEDMO C=CCC[C@@H](NC[C@@H](C)[N@@H+](C)C1CC1)c1ccco1 ZINC000286270999 397671571 /nfs/dbraw/zinc/67/15/71/397671571.db2.gz VJDHIBZKMDZZSC-UKRRQHHQSA-N 1 1 262.397 3.359 20 30 CGEDMO CCC#C[C@@H](C)[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000650060706 397773268 /nfs/dbraw/zinc/77/32/68/397773268.db2.gz CJBKHRHNBBTENM-RHSMWYFYSA-N 1 1 257.377 3.034 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000675496953 543345217 /nfs/dbraw/zinc/34/52/17/543345217.db2.gz FPIWUKMIOXCECA-SWLSCSKDSA-N 1 1 263.356 3.072 20 30 CGEDMO CCC#C[C@H](C)[N@@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000677047994 543427680 /nfs/dbraw/zinc/42/76/80/543427680.db2.gz MWSHNSJMLFJQAO-YQQAZPJKSA-N 1 1 257.377 3.250 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000677047994 543427682 /nfs/dbraw/zinc/42/76/82/543427682.db2.gz MWSHNSJMLFJQAO-YQQAZPJKSA-N 1 1 257.377 3.250 20 30 CGEDMO COCC#CC[N@H+](Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000677132880 543435704 /nfs/dbraw/zinc/43/57/04/543435704.db2.gz XGZSEFCNYYXFLC-XJKSGUPXSA-N 1 1 273.376 3.017 20 30 CGEDMO COCC#CC[N@@H+](Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000677132880 543435705 /nfs/dbraw/zinc/43/57/05/543435705.db2.gz XGZSEFCNYYXFLC-XJKSGUPXSA-N 1 1 273.376 3.017 20 30 CGEDMO COCC#CC[N@H+]1CCC[C@@H]1c1ccc(C)c(C)c1 ZINC000677817824 543467221 /nfs/dbraw/zinc/46/72/21/543467221.db2.gz BPOWEXCBLIWEKS-QGZVFWFLSA-N 1 1 257.377 3.090 20 30 CGEDMO COCC#CC[N@H+]1CCC[C@@H]1c1cc(C)ccc1C ZINC000677820629 543467817 /nfs/dbraw/zinc/46/78/17/543467817.db2.gz RFZPLJSWJATZIF-QGZVFWFLSA-N 1 1 257.377 3.090 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1c[nH]nc1-c1cccc(OC)c1 ZINC000678121882 543485713 /nfs/dbraw/zinc/48/57/13/543485713.db2.gz NFTRGBVFNOVJOB-UHFFFAOYSA-N 1 1 285.391 3.483 20 30 CGEDMO C=C(CC)C[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000678623061 543546659 /nfs/dbraw/zinc/54/66/59/543546659.db2.gz JTKBGWGFOMEUBG-IYBDPMFKSA-N 1 1 256.393 3.021 20 30 CGEDMO C=C(CC)C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000678626898 543547645 /nfs/dbraw/zinc/54/76/45/543547645.db2.gz HEHGGJMKQQPHRQ-KRWDZBQOSA-N 1 1 257.377 3.127 20 30 CGEDMO CCO[C@@H]1C[C@H]([N@@H+](C)CCC(C)(C)C#N)C1(C)C ZINC000345709979 286332015 /nfs/dbraw/zinc/33/20/15/286332015.db2.gz CGQBMEOJWRGURM-QWHCGFSZSA-N 1 1 252.402 3.062 20 30 CGEDMO N#Cc1cccc(C[NH2+]C2(c3ccccc3F)CC2)c1 ZINC000076766501 287035671 /nfs/dbraw/zinc/03/56/71/287035671.db2.gz QUTZQWNDRSNTKH-UHFFFAOYSA-N 1 1 266.319 3.476 20 30 CGEDMO CC(C)[N@H+](CCN1CCCCC1)Cc1ccc(C#N)cc1 ZINC000077173251 287037035 /nfs/dbraw/zinc/03/70/35/287037035.db2.gz QACBYKXTEDEEFU-UHFFFAOYSA-N 1 1 285.435 3.255 20 30 CGEDMO CC(C)[N@@H+](CCN1CCCCC1)Cc1ccc(C#N)cc1 ZINC000077173251 287037038 /nfs/dbraw/zinc/03/70/38/287037038.db2.gz QACBYKXTEDEEFU-UHFFFAOYSA-N 1 1 285.435 3.255 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CCS1 ZINC000076064433 165110896 /nfs/dbraw/zinc/11/08/96/165110896.db2.gz NKJAHSTZEJRJMT-OAHLLOKOSA-N 1 1 260.406 3.132 20 30 CGEDMO N#Cc1cccc(OCC[N@H+]2CCC[C@H]3CCC[C@@H]32)c1 ZINC000087770933 165189107 /nfs/dbraw/zinc/18/91/07/165189107.db2.gz MXXNHEJYVSTCTR-WBVHZDCISA-N 1 1 270.376 3.202 20 30 CGEDMO CC[C@H](C)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000088491708 165194317 /nfs/dbraw/zinc/19/43/17/165194317.db2.gz MLBYPWFUIACETG-INIZCTEOSA-N 1 1 285.435 3.112 20 30 CGEDMO CC[C@@H](CSC)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000091099558 165256752 /nfs/dbraw/zinc/25/67/52/165256752.db2.gz FCLLFTRAKGQEHM-AWEZNQCLSA-N 1 1 266.385 3.271 20 30 CGEDMO C[C@H](c1cccnc1)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000093228145 165325570 /nfs/dbraw/zinc/32/55/70/165325570.db2.gz LBZGBYCQOCZZTR-GFCCVEGCSA-N 1 1 269.323 3.285 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)CCS1 ZINC000174327722 165573131 /nfs/dbraw/zinc/57/31/31/165573131.db2.gz TUOMDHARHRWYBK-HNNXBMFYSA-N 1 1 278.396 3.271 20 30 CGEDMO CC[N@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1 ZINC000007445159 170285325 /nfs/dbraw/zinc/28/53/25/170285325.db2.gz KJUAQJDPMDUMPQ-UHFFFAOYSA-N 1 1 293.370 3.019 20 30 CGEDMO CC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1 ZINC000007445159 170285327 /nfs/dbraw/zinc/28/53/27/170285327.db2.gz KJUAQJDPMDUMPQ-UHFFFAOYSA-N 1 1 293.370 3.019 20 30 CGEDMO C[C@H](NCCC[NH+]1CCC(C)CC1)c1ccc(C#N)cc1 ZINC000020146269 171032902 /nfs/dbraw/zinc/03/29/02/171032902.db2.gz KGPJIFRYMRHPCT-INIZCTEOSA-N 1 1 285.435 3.331 20 30 CGEDMO CCC(CC)[C@H](CNCc1ccc(C#N)cc1)[NH+](C)C ZINC000020202123 171066070 /nfs/dbraw/zinc/06/60/70/171066070.db2.gz FWLUEGQOPIRZDW-KRWDZBQOSA-N 1 1 273.424 3.014 20 30 CGEDMO CC(C)N1CCC([NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC000037236813 173053825 /nfs/dbraw/zinc/05/38/25/173053825.db2.gz WQBFFUZQPAZHGG-AWEZNQCLSA-N 1 1 271.408 3.082 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCC(=O)OC(C)(C)C ZINC000128194312 287305503 /nfs/dbraw/zinc/30/55/03/287305503.db2.gz LYEVYPGMPHIABQ-CYBMUJFWSA-N 1 1 288.391 3.283 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000342734519 416541244 /nfs/dbraw/zinc/54/12/44/416541244.db2.gz LOICFZSUFKTREI-UHFFFAOYSA-N 1 1 278.352 3.390 20 30 CGEDMO CCC#C[C@H](C)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000680401215 543708491 /nfs/dbraw/zinc/70/84/91/543708491.db2.gz JNMMSHYIRPCZDF-HRCADAONSA-N 1 1 262.441 3.031 20 30 CGEDMO CCC#C[C@H](C)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000680401215 543708492 /nfs/dbraw/zinc/70/84/92/543708492.db2.gz JNMMSHYIRPCZDF-HRCADAONSA-N 1 1 262.441 3.031 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@H](C)C(C)(C)C ZINC000130444154 287355452 /nfs/dbraw/zinc/35/54/52/287355452.db2.gz NOYUBQLKTQZDKI-GFCCVEGCSA-N 1 1 260.381 3.433 20 30 CGEDMO CC(C)(C)[C@@H]1CC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000131362667 287377236 /nfs/dbraw/zinc/37/72/36/287377236.db2.gz QFAVKQWZZCEVTP-OAHLLOKOSA-N 1 1 272.392 3.305 20 30 CGEDMO COCC[N@@H+](CCC(C)(C)C#N)[C@@H]1CC[C@H](C)C1 ZINC000347126308 226035562 /nfs/dbraw/zinc/03/55/62/226035562.db2.gz SGYAHAWFAGFBRZ-UONOGXRCSA-N 1 1 252.402 3.063 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)Cc1csc(C(C)(C)C)n1 ZINC000411645565 262702935 /nfs/dbraw/zinc/70/29/35/262702935.db2.gz SSOZDLKVWWVOAQ-UHFFFAOYSA-N 1 1 295.496 3.380 20 30 CGEDMO Cc1cnc([C@H](C)[N@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)o1 ZINC000329091995 227292721 /nfs/dbraw/zinc/29/27/21/227292721.db2.gz AKBDNIQQZUPRGU-GXTWGEPZSA-N 1 1 291.395 3.123 20 30 CGEDMO C=CC[N@@H+](CCO[C@H]1CC1(F)F)CCc1ccccc1 ZINC000659856219 419015292 /nfs/dbraw/zinc/01/52/92/419015292.db2.gz AJDLCHDPCNFHMA-HNNXBMFYSA-N 1 1 281.346 3.141 20 30 CGEDMO C=CCCn1cc(C[N@@H+](C)[C@@H]2CCCc3ccccc32)nn1 ZINC000653479938 419033299 /nfs/dbraw/zinc/03/32/99/419033299.db2.gz JUEXWXKNKDWDBG-GOSISDBHSA-N 1 1 296.418 3.364 20 30 CGEDMO C=CCCn1cc(C[N@H+](C)[C@@H]2CCCc3ccccc32)nn1 ZINC000653479938 419033302 /nfs/dbraw/zinc/03/33/02/419033302.db2.gz JUEXWXKNKDWDBG-GOSISDBHSA-N 1 1 296.418 3.364 20 30 CGEDMO C=CCCn1cc(C[N@H+]2CCC[C@@H]2c2ccccc2C)nn1 ZINC000653499374 419037903 /nfs/dbraw/zinc/03/79/03/419037903.db2.gz IZCRIDHZDXTKPF-GOSISDBHSA-N 1 1 296.418 3.500 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CCC[C@@H]2c2ccccc2C)nn1 ZINC000653499374 419037904 /nfs/dbraw/zinc/03/79/04/419037904.db2.gz IZCRIDHZDXTKPF-GOSISDBHSA-N 1 1 296.418 3.500 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)[C@@H]1COC(C)(C)C1 ZINC000659816866 418999370 /nfs/dbraw/zinc/99/93/70/418999370.db2.gz VUVGXJSODIGOCK-LBPRGKRZSA-N 1 1 251.395 3.304 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@@H](C)c2cc(C)cc(C)c2)nn1 ZINC000653604754 419058124 /nfs/dbraw/zinc/05/81/24/419058124.db2.gz WQGIAOLBBSNEMC-HNNXBMFYSA-N 1 1 284.407 3.322 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@H](CC)c2ccc(C)cc2)nn1 ZINC000653598017 419058148 /nfs/dbraw/zinc/05/81/48/419058148.db2.gz JFBVENHRMJWMKG-QGZVFWFLSA-N 1 1 284.407 3.404 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cn(-c2ccccc2F)nc1C ZINC000656254921 419157590 /nfs/dbraw/zinc/15/75/90/419157590.db2.gz FUTPBAKUIPYJOX-UHFFFAOYSA-N 1 1 273.355 3.328 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000660719064 419185807 /nfs/dbraw/zinc/18/58/07/419185807.db2.gz XGLZHPAJEZUWQY-HNNXBMFYSA-N 1 1 286.423 3.140 20 30 CGEDMO C=CC[N@@H+](C[C@H](C)c1ccc(OC)cc1)[C@@H](C)COC ZINC000661240771 419243548 /nfs/dbraw/zinc/24/35/48/419243548.db2.gz TZSBVZPZPLFCPR-GJZGRUSLSA-N 1 1 277.408 3.322 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2nc(-c3ccco3)no2)C1 ZINC000661377910 419255435 /nfs/dbraw/zinc/25/54/35/419255435.db2.gz WKNBXZYBNKSTHV-LBPRGKRZSA-N 1 1 273.336 3.118 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2cnc3ccccn23)C1 ZINC000661379875 419256205 /nfs/dbraw/zinc/25/62/05/419256205.db2.gz BTZKJOUCMYCVFU-AWEZNQCLSA-N 1 1 255.365 3.122 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2nnc(C3CC3)n2C2CC2)C1 ZINC000661386338 419257104 /nfs/dbraw/zinc/25/71/04/419257104.db2.gz RWJUQKBWABWIML-ZDUSSCGKSA-N 1 1 286.423 3.279 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2nnc(C3CC3)n2C2CC2)C1 ZINC000661386338 419257105 /nfs/dbraw/zinc/25/71/05/419257105.db2.gz RWJUQKBWABWIML-ZDUSSCGKSA-N 1 1 286.423 3.279 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)[C@H]1CCO ZINC000661497078 419266217 /nfs/dbraw/zinc/26/62/17/419266217.db2.gz HURSJKOXAVEJFQ-PBHICJAKSA-N 1 1 291.822 3.174 20 30 CGEDMO C=CC[N@H+](Cc1cn2cccc(C)c2n1)C(C)(C)C ZINC000661754738 419294703 /nfs/dbraw/zinc/29/47/03/419294703.db2.gz COXWZHFSYIVPTJ-UHFFFAOYSA-N 1 1 257.381 3.429 20 30 CGEDMO C=CC[N@H+](CC(=O)N[C@@H](C)c1cccs1)C(C)(C)C ZINC000661754784 419295025 /nfs/dbraw/zinc/29/50/25/419295025.db2.gz AQODJFPPXMQKLC-LBPRGKRZSA-N 1 1 280.437 3.212 20 30 CGEDMO C=CC[N@@H+](C[C@@H](O)CCc1ccccc1)C(C)(C)C ZINC000661759874 419295874 /nfs/dbraw/zinc/29/58/74/419295874.db2.gz KRNFIGVUQZLDLA-INIZCTEOSA-N 1 1 261.409 3.267 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000662080652 419333212 /nfs/dbraw/zinc/33/32/12/419333212.db2.gz LEERWADRQWEXJS-JJTUDDRGSA-N 1 1 290.451 3.062 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000662082065 419333400 /nfs/dbraw/zinc/33/34/00/419333400.db2.gz XIAOLHOZAPWFOK-MTSZKFMLSA-N 1 1 290.451 3.253 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCN(Cc2ccccc2)C1 ZINC000662090787 419334147 /nfs/dbraw/zinc/33/41/47/419334147.db2.gz RKXPAXHGFDDGEM-OTWHNJEPSA-N 1 1 282.431 3.444 20 30 CGEDMO C[C@@H](C#N)CN(C)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000352088385 228181339 /nfs/dbraw/zinc/18/13/39/228181339.db2.gz ZLVNPMQEIZETPX-INIZCTEOSA-N 1 1 287.451 3.236 20 30 CGEDMO C=CCCn1cc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)nn1 ZINC000662374735 419416994 /nfs/dbraw/zinc/41/69/94/419416994.db2.gz NAXPJAYCZCIUOL-HOCLYGCPSA-N 1 1 274.412 3.009 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+]1CCn2c(nnc2C(C)(C)C)C1 ZINC000662242759 419370979 /nfs/dbraw/zinc/37/09/79/419370979.db2.gz IRWFBCNSHOIWPZ-ZDUSSCGKSA-N 1 1 276.428 3.136 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCn2c(nnc2C(C)(C)C)C1 ZINC000662242759 419370985 /nfs/dbraw/zinc/37/09/85/419370985.db2.gz IRWFBCNSHOIWPZ-ZDUSSCGKSA-N 1 1 276.428 3.136 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+](CCC)CCc1cccc(F)c1 ZINC000662894553 419504096 /nfs/dbraw/zinc/50/40/96/419504096.db2.gz FCHYHRDGKFDFHY-INIZCTEOSA-N 1 1 265.372 3.017 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1cc(OC)c(OC)cc1SC ZINC000086506727 260208147 /nfs/dbraw/zinc/20/81/47/260208147.db2.gz GMGQHMZKAYKPBC-GFCCVEGCSA-N 1 1 294.420 3.208 20 30 CGEDMO COc1ccccc1C[N@@H+](C)CCCC(C)(C)C#N ZINC000087608532 260215337 /nfs/dbraw/zinc/21/53/37/260215337.db2.gz OYPJLJNTXDOAMB-UHFFFAOYSA-N 1 1 260.381 3.457 20 30 CGEDMO CCC[N@@H+](CCCSCC#N)Cc1ccccc1O ZINC000074991899 260289625 /nfs/dbraw/zinc/28/96/25/260289625.db2.gz BARCDLDVFXIHGZ-UHFFFAOYSA-N 1 1 278.421 3.251 20 30 CGEDMO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1CCCSCC#N ZINC000080628172 260317027 /nfs/dbraw/zinc/31/70/27/260317027.db2.gz CGWDJNIEALPQKI-ZBFHGGJFSA-N 1 1 290.432 3.095 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000448821317 260843645 /nfs/dbraw/zinc/84/36/45/260843645.db2.gz FMDGTPJNFIFPGS-ZNMIVQPWSA-N 1 1 278.440 3.062 20 30 CGEDMO C[N@@H+](CCCCC#N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000174949602 261204441 /nfs/dbraw/zinc/20/44/41/261204441.db2.gz KAAGPFIXVJQOLM-GOSISDBHSA-N 1 1 285.435 3.277 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000361372827 261226203 /nfs/dbraw/zinc/22/62/03/261226203.db2.gz APZZDFLMMWHGGQ-CAOSSQGBSA-N 1 1 251.414 3.214 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)CCC1 ZINC000249711729 261257177 /nfs/dbraw/zinc/25/71/77/261257177.db2.gz YPQLBVPHAZTATL-CVEARBPZSA-N 1 1 290.451 3.207 20 30 CGEDMO C=CCOc1cccc(NC(=O)[C@H]2CCCC[N@@H+]2CC)c1 ZINC000104318657 261292497 /nfs/dbraw/zinc/29/24/97/261292497.db2.gz SRAPCWAOAKLDNY-MRXNPFEDSA-N 1 1 288.391 3.064 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000184089113 262007878 /nfs/dbraw/zinc/00/78/78/262007878.db2.gz DQHIMLQUBITRQB-OAHLLOKOSA-N 1 1 268.364 3.167 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000184091216 262008481 /nfs/dbraw/zinc/00/84/81/262008481.db2.gz RBSONBUVBATXIX-MRXNPFEDSA-N 1 1 295.386 3.442 20 30 CGEDMO COc1ccc(C#N)cc1Cn1c[nH+]c2c1C[C@H](C)[C@H](C)C2 ZINC000390026712 262082931 /nfs/dbraw/zinc/08/29/31/262082931.db2.gz XUZRMSVMIGYGRC-OLZOCXBDSA-N 1 1 295.386 3.182 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+](C)C[C@H]1CCCC[C@H]1O ZINC000497196410 262099278 /nfs/dbraw/zinc/09/92/78/262099278.db2.gz ABGBLSKFWMGROL-NVXWUHKLSA-N 1 1 289.419 3.234 20 30 CGEDMO COc1ccc(C[C@H](C)C[N@@H+](C)[C@H](C)CC#N)cc1F ZINC000186689897 262105490 /nfs/dbraw/zinc/10/54/90/262105490.db2.gz FWQFREHLBWESFL-QWHCGFSZSA-N 1 1 278.371 3.247 20 30 CGEDMO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccnn1C ZINC000193039193 262214821 /nfs/dbraw/zinc/21/48/21/262214821.db2.gz FBNRBRCBXKAQDH-HIFRSBDPSA-N 1 1 268.364 3.116 20 30 CGEDMO N#CC1CC[NH+](Cc2ccccc2OC(F)F)CC1 ZINC000195310897 262249582 /nfs/dbraw/zinc/24/95/82/262249582.db2.gz RYNOFYFWCFCSSL-UHFFFAOYSA-N 1 1 266.291 3.024 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(OC)c(OC(F)F)c1 ZINC000054182167 262260155 /nfs/dbraw/zinc/26/01/55/262260155.db2.gz MEUBJLDGWNMZOV-LLVKDONJSA-N 1 1 284.306 3.078 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000495627039 262283327 /nfs/dbraw/zinc/28/33/27/262283327.db2.gz TWBUWHXJOZNWTD-UONOGXRCSA-N 1 1 282.428 3.330 20 30 CGEDMO CCOC[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000336784077 262394771 /nfs/dbraw/zinc/39/47/71/262394771.db2.gz KQKGHINEYSGBEI-CQSZACIVSA-N 1 1 252.402 3.065 20 30 CGEDMO CC[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)CCCO1 ZINC000411677418 262703902 /nfs/dbraw/zinc/70/39/02/262703902.db2.gz RUVPRPPUGYIUOI-OAHLLOKOSA-N 1 1 264.413 3.351 20 30 CGEDMO C=CCC1(C(=O)NCCCn2cc[nH+]c2C)CCCCC1 ZINC000448757165 263025861 /nfs/dbraw/zinc/02/58/61/263025861.db2.gz CFAVWJIPFQKHNQ-UHFFFAOYSA-N 1 1 289.423 3.224 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000276262797 263035385 /nfs/dbraw/zinc/03/53/85/263035385.db2.gz BJZRNXPBYAMSTE-DZGCQCFKSA-N 1 1 288.366 3.413 20 30 CGEDMO COc1cc(C)c(C[N@@H+](C)[C@H](C)CCC#N)cc1OC ZINC000276300634 263035655 /nfs/dbraw/zinc/03/56/55/263035655.db2.gz JVRPTVXWNQWGHD-CYBMUJFWSA-N 1 1 276.380 3.136 20 30 CGEDMO C[C@H](CCC#N)[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000276316943 263035877 /nfs/dbraw/zinc/03/58/77/263035877.db2.gz NTHZLWKQUQKIJQ-WBVHZDCISA-N 1 1 272.392 3.012 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000276316943 263035878 /nfs/dbraw/zinc/03/58/78/263035878.db2.gz NTHZLWKQUQKIJQ-WBVHZDCISA-N 1 1 272.392 3.012 20 30 CGEDMO CCOc1ccc(C[N@H+](CCC#N)CC2CC2)cc1F ZINC000278353429 263047422 /nfs/dbraw/zinc/04/74/22/263047422.db2.gz AEPRYBQHPLMNDP-UHFFFAOYSA-N 1 1 276.355 3.350 20 30 CGEDMO CCOc1ccc(C[N@@H+](CCC#N)CC2CC2)cc1F ZINC000278353429 263047423 /nfs/dbraw/zinc/04/74/23/263047423.db2.gz AEPRYBQHPLMNDP-UHFFFAOYSA-N 1 1 276.355 3.350 20 30 CGEDMO C[N@@H+](CCCCCO)Cc1ccccc1C(C)(C)C#N ZINC000278916631 263051761 /nfs/dbraw/zinc/05/17/61/263051761.db2.gz RCAYCELRZYGTIB-UHFFFAOYSA-N 1 1 274.408 3.082 20 30 CGEDMO COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1CCCCC#N ZINC000279087962 263052815 /nfs/dbraw/zinc/05/28/15/263052815.db2.gz OWLVYJRZOOAUPK-HOTGVXAUSA-N 1 1 286.375 3.059 20 30 CGEDMO N#CC1(CCC[N@H+]2CCC[C@@H]2c2ccc[nH]2)CCOCC1 ZINC000282019734 263073658 /nfs/dbraw/zinc/07/36/58/263073658.db2.gz PBZLMKLSHLFZBT-MRXNPFEDSA-N 1 1 287.407 3.252 20 30 CGEDMO CCC[N@@H+]1Cc2cccc(NC(=O)CCCC#N)c2C1 ZINC000291692795 263124904 /nfs/dbraw/zinc/12/49/04/263124904.db2.gz MRWZJRJQPXAALP-UHFFFAOYSA-N 1 1 271.364 3.045 20 30 CGEDMO CCC[N@H+]1Cc2cccc(NC(=O)CCCC#N)c2C1 ZINC000291692795 263124905 /nfs/dbraw/zinc/12/49/05/263124905.db2.gz MRWZJRJQPXAALP-UHFFFAOYSA-N 1 1 271.364 3.045 20 30 CGEDMO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1CCCCC#N ZINC000292366027 263131476 /nfs/dbraw/zinc/13/14/76/263131476.db2.gz QQNYDLDCYZGIMF-CQSZACIVSA-N 1 1 275.371 3.030 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](COCc3ccccc3)C2)C1 ZINC000292718346 263134262 /nfs/dbraw/zinc/13/42/62/263134262.db2.gz FQTOWAGACGWBAO-KZNAEPCWSA-N 1 1 284.403 3.217 20 30 CGEDMO COc1ccc([C@@H]2CC[N@H+]([C@@H]3CC[C@H](C#N)C3)C2)cc1 ZINC000292983405 263136834 /nfs/dbraw/zinc/13/68/34/263136834.db2.gz FMEAIIFOPIGTOS-NUEKZKHPSA-N 1 1 270.376 3.177 20 30 CGEDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@@H]1CC[C@H](C#N)C1 ZINC000293493573 263141950 /nfs/dbraw/zinc/14/19/50/263141950.db2.gz NHDFMDDEDGERAF-DZGCQCFKSA-N 1 1 288.391 3.218 20 30 CGEDMO Cc1cccc(C2=CC[N@@H+](CCOCCC#N)CC2)c1 ZINC000293693072 263147225 /nfs/dbraw/zinc/14/72/25/263147225.db2.gz BYJDLPFTKGGYDD-UHFFFAOYSA-N 1 1 270.376 3.014 20 30 CGEDMO C[N@@H+](CCOCCC#N)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000297379970 263204515 /nfs/dbraw/zinc/20/45/15/263204515.db2.gz AJYBGJRVTVAIKP-DLBZAZTESA-N 1 1 272.392 3.185 20 30 CGEDMO C[C@H](CCC#N)[N@@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000299452750 263242520 /nfs/dbraw/zinc/24/25/20/263242520.db2.gz ZIDOXOYNOQFYSE-IOASZLSFSA-N 1 1 276.355 3.280 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000299452750 263242522 /nfs/dbraw/zinc/24/25/22/263242522.db2.gz ZIDOXOYNOQFYSE-IOASZLSFSA-N 1 1 276.355 3.280 20 30 CGEDMO C=CC[N@H+](CC[C@@H]1CCOC1=O)Cc1ccc(Cl)s1 ZINC000120026943 263280550 /nfs/dbraw/zinc/28/05/50/263280550.db2.gz VURPEZZSTWPABH-LLVKDONJSA-N 1 1 299.823 3.343 20 30 CGEDMO C=CC[N@@H+](Cc1c(C)n[nH]c1C)Cc1cccc(C#N)c1 ZINC000120012054 263281144 /nfs/dbraw/zinc/28/11/44/263281144.db2.gz XVIDAUZMJXFKLU-UHFFFAOYSA-N 1 1 280.375 3.086 20 30 CGEDMO C=CC[N@H+](Cc1c(C)n[nH]c1C)Cc1cccc(C#N)c1 ZINC000120012054 263281146 /nfs/dbraw/zinc/28/11/46/263281146.db2.gz XVIDAUZMJXFKLU-UHFFFAOYSA-N 1 1 280.375 3.086 20 30 CGEDMO C=CC[C@H](CC)[NH2+]Cc1cn(-c2ccncc2)nc1C ZINC000341453711 263336081 /nfs/dbraw/zinc/33/60/81/263336081.db2.gz GFYLZVBWIKHEFQ-HNNXBMFYSA-N 1 1 270.380 3.020 20 30 CGEDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000330822927 264047719 /nfs/dbraw/zinc/04/77/19/264047719.db2.gz HRDYFZRIMPDQQI-SLEUVZQESA-N 1 1 273.336 3.246 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([NH2+]Cc2cc(-c3ccccc3)on2)C1 ZINC000425953681 264071422 /nfs/dbraw/zinc/07/14/22/264071422.db2.gz SVYAIUAEWQPCLO-TZMCWYRMSA-N 1 1 267.332 3.123 20 30 CGEDMO C=CC[C@H]1[N@H+](Cc2nc(C(=O)OC)co2)CCCC1(C)C ZINC000331349817 264206901 /nfs/dbraw/zinc/20/69/01/264206901.db2.gz YCGLMMDBMNLWRK-CYBMUJFWSA-N 1 1 292.379 3.028 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2nc(C(=O)OC)co2)CCCC1(C)C ZINC000331349817 264206902 /nfs/dbraw/zinc/20/69/02/264206902.db2.gz YCGLMMDBMNLWRK-CYBMUJFWSA-N 1 1 292.379 3.028 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](CO)[C@H]2C)cc1Cl ZINC000425962747 264228153 /nfs/dbraw/zinc/22/81/53/264228153.db2.gz JBZWPDLLGASGSR-OCCSQVGLSA-N 1 1 295.810 3.108 20 30 CGEDMO C=CCN(C)C(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000161615134 264291147 /nfs/dbraw/zinc/29/11/47/264291147.db2.gz RDVQICKZPUOKLM-UHFFFAOYSA-N 1 1 274.408 3.175 20 30 CGEDMO C=C(Br)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000128663372 264298880 /nfs/dbraw/zinc/29/88/80/264298880.db2.gz MLIXOHWYWDTFCJ-VIFPVBQESA-N 1 1 285.141 3.154 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000335103246 265094295 /nfs/dbraw/zinc/09/42/95/265094295.db2.gz LZBABTVYSXHVHK-ZBFHGGJFSA-N 1 1 290.451 3.064 20 30 CGEDMO CO[C@]1(C)C[C@@H]([N@@H+](C)CCC(C)(C)C#N)C1(C)C ZINC000345706044 265097701 /nfs/dbraw/zinc/09/77/01/265097701.db2.gz FUVFOQKNEGLJDF-IUODEOHRSA-N 1 1 252.402 3.062 20 30 CGEDMO COc1ccc(F)cc1C[NH2+]Cc1ccc(C#N)s1 ZINC000189197912 270070764 /nfs/dbraw/zinc/07/07/64/270070764.db2.gz MHTZCLQXCMTGMA-UHFFFAOYSA-N 1 1 276.336 3.057 20 30 CGEDMO CCc1cnc(C[NH+]2CCC(CCC#N)CC2)s1 ZINC000519656781 265522073 /nfs/dbraw/zinc/52/20/73/265522073.db2.gz ZLUQBUWJZVATPG-UHFFFAOYSA-N 1 1 263.410 3.221 20 30 CGEDMO CC1(C#N)CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000356932040 266212714 /nfs/dbraw/zinc/21/27/14/266212714.db2.gz IYGSVRGKPNGGNZ-GQCTYLIASA-N 1 1 285.347 3.234 20 30 CGEDMO C=CCOc1ccc(CN2CC[N@H+](C)C[C@@H]2C(C)C)cc1 ZINC000357201395 266265614 /nfs/dbraw/zinc/26/56/14/266265614.db2.gz GSJYBZJXFOEWKP-GOSISDBHSA-N 1 1 288.435 3.023 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCN(C)C[C@@H]2C(C)C)cc1 ZINC000357201395 266265616 /nfs/dbraw/zinc/26/56/16/266265616.db2.gz GSJYBZJXFOEWKP-GOSISDBHSA-N 1 1 288.435 3.023 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCN(C)C[C@@H]2C(C)C)cc1 ZINC000357201395 266265617 /nfs/dbraw/zinc/26/56/17/266265617.db2.gz GSJYBZJXFOEWKP-GOSISDBHSA-N 1 1 288.435 3.023 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC2(C1)CCCCC2 ZINC000357755571 266355895 /nfs/dbraw/zinc/35/58/95/266355895.db2.gz ATNUMTOKKHTCTN-INIZCTEOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(CC)C[NH+]1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000358501202 266469970 /nfs/dbraw/zinc/46/99/70/266469970.db2.gz RVHAMCPIEZHRKH-UHFFFAOYSA-N 1 1 292.810 3.064 20 30 CGEDMO CC[N@@H+](CCOc1cccc(C#N)c1)[C@@H](C)C(C)C ZINC000520059658 267066868 /nfs/dbraw/zinc/06/68/68/267066868.db2.gz BAVYSWRJJDYSEW-AWEZNQCLSA-N 1 1 260.381 3.303 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCOC1CCC1 ZINC000367722984 267113225 /nfs/dbraw/zinc/11/32/25/267113225.db2.gz CMNBLODJCKWAJX-MSOLQXFVSA-N 1 1 284.403 3.327 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCOC1CCC1 ZINC000367722984 267113227 /nfs/dbraw/zinc/11/32/27/267113227.db2.gz CMNBLODJCKWAJX-MSOLQXFVSA-N 1 1 284.403 3.327 20 30 CGEDMO N#Cc1cnc(NC[C@H]2CC[N@H+]2C2CCCC2)c(Cl)c1 ZINC000528211721 270158049 /nfs/dbraw/zinc/15/80/49/270158049.db2.gz UYFAHQLYZHXBMU-CYBMUJFWSA-N 1 1 290.798 3.035 20 30 CGEDMO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2COc3cc(F)cc(F)c32)C1 ZINC000368397978 267168843 /nfs/dbraw/zinc/16/88/43/267168843.db2.gz AXJJKOLGFWIXOM-CDMKHQONSA-N 1 1 278.302 3.070 20 30 CGEDMO CC[C@@H](CC#N)N[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000368625703 267191832 /nfs/dbraw/zinc/19/18/32/267191832.db2.gz QRXCOJBVIBTWFQ-IRXDYDNUSA-N 1 1 285.435 3.321 20 30 CGEDMO CC[C@@H](CC#N)[NH2+][C@@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000368625703 267191836 /nfs/dbraw/zinc/19/18/36/267191836.db2.gz QRXCOJBVIBTWFQ-IRXDYDNUSA-N 1 1 285.435 3.321 20 30 CGEDMO C[C@H]1C[C@@H](NCC2(C#N)CCC2)C[N@H+](Cc2ccccc2)C1 ZINC000418141767 267364052 /nfs/dbraw/zinc/36/40/52/267364052.db2.gz LSPKQQIDJPNLKK-FUHWJXTLSA-N 1 1 297.446 3.180 20 30 CGEDMO C[C@H]1C[C@@H](NCC2(C#N)CCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000418141767 267364056 /nfs/dbraw/zinc/36/40/56/267364056.db2.gz LSPKQQIDJPNLKK-FUHWJXTLSA-N 1 1 297.446 3.180 20 30 CGEDMO CC1(C)Cc2cccc(C[NH2+]CC3(C#N)CCC3)c2O1 ZINC000418137919 267372254 /nfs/dbraw/zinc/37/22/54/267372254.db2.gz FLOFSDYPVUALQA-UHFFFAOYSA-N 1 1 270.376 3.184 20 30 CGEDMO CCCCCCCC[N@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000371301809 267385206 /nfs/dbraw/zinc/38/52/06/267385206.db2.gz HGPAUNUQTWIDAB-JKSUJKDBSA-N 1 1 280.456 3.338 20 30 CGEDMO CC1(C)Cc2cccc(C[NH+]3CCC(F)(C#N)CC3)c2O1 ZINC000348712015 275872445 /nfs/dbraw/zinc/87/24/45/275872445.db2.gz GXBFQPAWSTWYPS-UHFFFAOYSA-N 1 1 288.366 3.228 20 30 CGEDMO CN1CCC[C@@]2(CC[N@H+](CCC3(C#N)CCCCC3)C2)C1 ZINC000334647739 277072111 /nfs/dbraw/zinc/07/21/11/277072111.db2.gz ZUYVLLRSCBYCLS-GOSISDBHSA-N 1 1 289.467 3.268 20 30 CGEDMO CN1CCC[C@@]2(CC[N@@H+](CCC3(C#N)CCCCC3)C2)C1 ZINC000334647739 277072112 /nfs/dbraw/zinc/07/21/12/277072112.db2.gz ZUYVLLRSCBYCLS-GOSISDBHSA-N 1 1 289.467 3.268 20 30 CGEDMO C[N@@H+]1CCC[C@@]2(CCN(CCC3(C#N)CCCCC3)C2)C1 ZINC000334647739 277072113 /nfs/dbraw/zinc/07/21/13/277072113.db2.gz ZUYVLLRSCBYCLS-GOSISDBHSA-N 1 1 289.467 3.268 20 30 CGEDMO C[N@H+]1CCC[C@@]2(CCN(CCC3(C#N)CCCCC3)C2)C1 ZINC000334647739 277072115 /nfs/dbraw/zinc/07/21/15/277072115.db2.gz ZUYVLLRSCBYCLS-GOSISDBHSA-N 1 1 289.467 3.268 20 30 CGEDMO CSC1(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)CC1 ZINC000289129955 278122634 /nfs/dbraw/zinc/12/26/34/278122634.db2.gz OKYDNFOFJZEHDR-UHFFFAOYSA-N 1 1 272.417 3.418 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000335304470 278259975 /nfs/dbraw/zinc/25/99/75/278259975.db2.gz GGBQJTQLEFKVHC-WMZOPIPTSA-N 1 1 298.430 3.489 20 30 CGEDMO C[C@@H](CN[C@@H](C)c1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000038028468 278284402 /nfs/dbraw/zinc/28/44/02/278284402.db2.gz DCHPXQDIQLSCTQ-GJZGRUSLSA-N 1 1 271.408 3.083 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000279763549 278306232 /nfs/dbraw/zinc/30/62/32/278306232.db2.gz MKVOWHYMFUINGH-CZUORRHYSA-N 1 1 272.392 3.366 20 30 CGEDMO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000223542930 279108751 /nfs/dbraw/zinc/10/87/51/279108751.db2.gz CTALSFLEXGMIGH-MNOVXSKESA-N 1 1 264.369 3.023 20 30 CGEDMO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1cccc(C#N)c1F ZINC000223542930 279108754 /nfs/dbraw/zinc/10/87/54/279108754.db2.gz CTALSFLEXGMIGH-MNOVXSKESA-N 1 1 264.369 3.023 20 30 CGEDMO C[C@@]12C[N@@H+](Cc3ccccc3C#N)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000449449038 279180056 /nfs/dbraw/zinc/18/00/56/279180056.db2.gz KILPCFVPFRBPMI-RNJTYBCJSA-N 1 1 264.372 3.202 20 30 CGEDMO C[C@H]([NH2+][C@H]1C[C@@H](C)n2ccnc21)c1ccc(C#N)cc1 ZINC000294036729 279553200 /nfs/dbraw/zinc/55/32/00/279553200.db2.gz IJKTWTAXVOCUIQ-XUJVJEKNSA-N 1 1 266.348 3.111 20 30 CGEDMO CC[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(F)cc1F ZINC000562039362 289669265 /nfs/dbraw/zinc/66/92/65/289669265.db2.gz GQMMBQPICZWILD-INIZCTEOSA-N 1 1 287.313 3.472 20 30 CGEDMO CC(C)Oc1ccc(C[NH2+]CCC#N)c(C(F)(F)F)c1 ZINC000570920846 327634711 /nfs/dbraw/zinc/63/47/11/327634711.db2.gz ZIUPLJGXYUWZNR-UHFFFAOYSA-N 1 1 286.297 3.496 20 30 CGEDMO C[C@@H](C1CC1)[N@@H+](Cc1ccc(OCC#N)cc1)C1CC1 ZINC000264565853 328160375 /nfs/dbraw/zinc/16/03/75/328160375.db2.gz PUJWORBXMUYLKC-ZDUSSCGKSA-N 1 1 270.376 3.352 20 30 CGEDMO C[N@H+](C[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CC[C@@H](C#N)C1 ZINC000278566018 328227434 /nfs/dbraw/zinc/22/74/34/328227434.db2.gz IVRQTLWJBBYKFS-CEXWTWQISA-N 1 1 297.446 3.133 20 30 CGEDMO C[N@@H+](C[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CC[C@@H](C#N)C1 ZINC000278566018 328227435 /nfs/dbraw/zinc/22/74/35/328227435.db2.gz IVRQTLWJBBYKFS-CEXWTWQISA-N 1 1 297.446 3.133 20 30 CGEDMO C=C(C)C[N@@H+](CC)[C@@H](C)c1ncc(Br)cn1 ZINC000340274862 328252831 /nfs/dbraw/zinc/25/28/31/328252831.db2.gz ABLVYKWDLGHFCB-JTQLQIEISA-N 1 1 284.201 3.198 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)c1ncc(Br)cn1 ZINC000340274862 328252832 /nfs/dbraw/zinc/25/28/32/328252832.db2.gz ABLVYKWDLGHFCB-JTQLQIEISA-N 1 1 284.201 3.198 20 30 CGEDMO C=CC[N@@H+](CCC#N)CCCc1cccc(OC)c1 ZINC000292227111 328268869 /nfs/dbraw/zinc/26/88/69/328268869.db2.gz PGSYADFKINEPDO-UHFFFAOYSA-N 1 1 258.365 3.029 20 30 CGEDMO C=CC[N@H+](CCC#N)CCCc1cccc(OC)c1 ZINC000292227111 328268870 /nfs/dbraw/zinc/26/88/70/328268870.db2.gz PGSYADFKINEPDO-UHFFFAOYSA-N 1 1 258.365 3.029 20 30 CGEDMO C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000565043471 322056436 /nfs/dbraw/zinc/05/64/36/322056436.db2.gz HLFAKVWNGQOSLJ-UPJWGTAASA-N 1 1 287.363 3.333 20 30 CGEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C1CC1 ZINC000567989805 322186891 /nfs/dbraw/zinc/18/68/91/322186891.db2.gz QIURBNXDAJRLAQ-UHFFFAOYSA-N 1 1 273.336 3.087 20 30 CGEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)CC1(C)CCC1 ZINC000569327922 322243693 /nfs/dbraw/zinc/24/36/93/322243693.db2.gz RITKRJYQEBWZQO-UHFFFAOYSA-N 1 1 272.392 3.197 20 30 CGEDMO C[C@@H]1CCC[C@H](C)[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000571807578 322308409 /nfs/dbraw/zinc/30/84/09/322308409.db2.gz YIMLSRXHAOMSMY-OLZOCXBDSA-N 1 1 287.363 3.477 20 30 CGEDMO Cc1nc(N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c(Cl)cc1C#N ZINC000573380710 322385042 /nfs/dbraw/zinc/38/50/42/322385042.db2.gz HYIXWENEORXHHL-IINYFYTJSA-N 1 1 292.814 3.056 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1c(C)nn(-c2ccccc2)c1C ZINC000130942848 328491015 /nfs/dbraw/zinc/49/10/15/328491015.db2.gz NEPITHFPHPMRER-UHFFFAOYSA-N 1 1 275.783 3.331 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000451405250 331027899 /nfs/dbraw/zinc/02/78/99/331027899.db2.gz HSIFHBXJHQXGQD-RYUDHWBXSA-N 1 1 265.319 3.242 20 30 CGEDMO C[C@@H](c1ccccc1F)[N@@H+](C)CCCSCC#N ZINC000074981901 327122934 /nfs/dbraw/zinc/12/29/34/327122934.db2.gz SIWDNGHCEPYSMZ-LBPRGKRZSA-N 1 1 266.385 3.465 20 30 CGEDMO CCC[N@@H+](CCc1cccs1)Cc1ccc(C#N)cn1 ZINC000584299861 327229734 /nfs/dbraw/zinc/22/97/34/327229734.db2.gz XOSXWMUDEHNRPM-UHFFFAOYSA-N 1 1 285.416 3.469 20 30 CGEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cn2)C1 ZINC000583358512 327318358 /nfs/dbraw/zinc/31/83/58/327318358.db2.gz WIDPLZAOTKFBIN-HUUCEWRRSA-N 1 1 275.421 3.059 20 30 CGEDMO C[N@@H+](CCCc1ccc2c(c1)CCO2)CC(C)(C)C#N ZINC000560569019 327325555 /nfs/dbraw/zinc/32/55/55/327325555.db2.gz QSTQYDZAOLNCBR-UHFFFAOYSA-N 1 1 272.392 3.036 20 30 CGEDMO C=CCOc1cccc(CN[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000561356002 327388767 /nfs/dbraw/zinc/38/87/67/327388767.db2.gz UKKBLELBWOPITE-INIZCTEOSA-N 1 1 288.435 3.215 20 30 CGEDMO Cc1nc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)[nH]c1C ZINC000583642311 328725228 /nfs/dbraw/zinc/72/52/28/328725228.db2.gz WLCWESROXDDSPA-INIZCTEOSA-N 1 1 280.375 3.065 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C)on2)cc1 ZINC000377545477 329018422 /nfs/dbraw/zinc/01/84/22/329018422.db2.gz YFEMUHOOAZPEGM-KRWDZBQOSA-N 1 1 266.344 3.301 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC[C@H]2c2cc(C)on2)cc1 ZINC000377545477 329018420 /nfs/dbraw/zinc/01/84/20/329018420.db2.gz YFEMUHOOAZPEGM-KRWDZBQOSA-N 1 1 266.344 3.301 20 30 CGEDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000177163546 329180494 /nfs/dbraw/zinc/18/04/94/329180494.db2.gz AOUSZUOVKNCQQM-DLBZAZTESA-N 1 1 291.822 3.317 20 30 CGEDMO CCOCc1cc(C[N@H+](CC)C[C@@H](C)C#N)ccc1OC ZINC000179816009 329212604 /nfs/dbraw/zinc/21/26/04/329212604.db2.gz KRRVNBCALNHFEJ-AWEZNQCLSA-N 1 1 290.407 3.213 20 30 CGEDMO CCOCc1cc(C[N@@H+](CC)C[C@@H](C)C#N)ccc1OC ZINC000179816009 329212605 /nfs/dbraw/zinc/21/26/05/329212605.db2.gz KRRVNBCALNHFEJ-AWEZNQCLSA-N 1 1 290.407 3.213 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000181313047 329231167 /nfs/dbraw/zinc/23/11/67/329231167.db2.gz ZQGFXWAJIAMFCW-UHFFFAOYSA-N 1 1 277.755 3.398 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000181313047 329231168 /nfs/dbraw/zinc/23/11/68/329231168.db2.gz ZQGFXWAJIAMFCW-UHFFFAOYSA-N 1 1 277.755 3.398 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000184095135 329256224 /nfs/dbraw/zinc/25/62/24/329256224.db2.gz YQMQHLUOFJKXKQ-OAHLLOKOSA-N 1 1 271.364 3.151 20 30 CGEDMO C=CCCCC[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000583065556 329309665 /nfs/dbraw/zinc/30/96/65/329309665.db2.gz LDPRJLQDYCEVTF-CYBMUJFWSA-N 1 1 261.369 3.093 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186666434 329347064 /nfs/dbraw/zinc/34/70/64/329347064.db2.gz FSTKLHPQMYESRE-GOSISDBHSA-N 1 1 284.403 3.448 20 30 CGEDMO CC(C)n1cnnc1C[N@H+](C)CCCCC(C)(C)C#N ZINC000429296982 329372325 /nfs/dbraw/zinc/37/23/25/329372325.db2.gz UJSVAGHCQQHQDL-UHFFFAOYSA-N 1 1 277.416 3.011 20 30 CGEDMO CC(C)n1cnnc1C[N@@H+](C)CCCCC(C)(C)C#N ZINC000429296982 329372326 /nfs/dbraw/zinc/37/23/26/329372326.db2.gz UJSVAGHCQQHQDL-UHFFFAOYSA-N 1 1 277.416 3.011 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)[C@H](C)Cc1cccc(F)c1 ZINC000459773004 329388438 /nfs/dbraw/zinc/38/84/38/329388438.db2.gz VFUSVMGQJYJBSB-CZUORRHYSA-N 1 1 265.372 3.016 20 30 CGEDMO COC1(C(F)(F)F)CC[NH+](CC#Cc2ccccc2)CC1 ZINC000419343450 329718871 /nfs/dbraw/zinc/71/88/71/329718871.db2.gz CMOCHMOLJXVZPK-UHFFFAOYSA-N 1 1 297.320 3.081 20 30 CGEDMO C=CCN1CCC([NH2+][C@H](C)c2ccncc2Cl)CC1 ZINC000421838051 330092569 /nfs/dbraw/zinc/09/25/69/330092569.db2.gz UNSNXFYTTZEMRN-GFCCVEGCSA-N 1 1 279.815 3.036 20 30 CGEDMO C=CCC1(C[NH2+][C@@H]2CCCCC[C@H]2N)CCCC1 ZINC000423162758 330174031 /nfs/dbraw/zinc/17/40/31/330174031.db2.gz PYQRGUMZJSBXIJ-HUUCEWRRSA-N 1 1 250.430 3.373 20 30 CGEDMO C=CCC[C@@H](CC)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423529586 330210281 /nfs/dbraw/zinc/21/02/81/330210281.db2.gz PYRMYUNSQOELAV-SVXFNXITSA-N 1 1 276.468 3.474 20 30 CGEDMO C=CCC[C@H](CC)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423529584 330210491 /nfs/dbraw/zinc/21/04/91/330210491.db2.gz PYRMYUNSQOELAV-NFSPANSCSA-N 1 1 276.468 3.474 20 30 CGEDMO CSc1ccc(OCC[N@@H+](CCC#N)CC2CC2)cc1 ZINC000081514808 330212552 /nfs/dbraw/zinc/21/25/52/330212552.db2.gz GLNOMMSDSPUSCR-UHFFFAOYSA-N 1 1 290.432 3.413 20 30 CGEDMO CSc1ccc(OCC[N@H+](CCC#N)CC2CC2)cc1 ZINC000081514808 330212550 /nfs/dbraw/zinc/21/25/50/330212550.db2.gz GLNOMMSDSPUSCR-UHFFFAOYSA-N 1 1 290.432 3.413 20 30 CGEDMO Cc1ccc([C@@H]2C[C@H](C)[N@H+](C[C@@H](O)CC3(C#N)CC3)C2)cc1 ZINC000528486627 330242976 /nfs/dbraw/zinc/24/29/76/330242976.db2.gz PNYNFQARMAGMNO-JQHSSLGASA-N 1 1 298.430 3.228 20 30 CGEDMO C=C(C)CN1CCC([NH2+]Cc2ccc(F)cc2F)CC1 ZINC000106246067 330333852 /nfs/dbraw/zinc/33/38/52/330333852.db2.gz ZSLIXWCNOFYCDD-UHFFFAOYSA-N 1 1 280.362 3.095 20 30 CGEDMO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(CCC)cc2)nn1 ZINC000424293578 330335383 /nfs/dbraw/zinc/33/53/83/330335383.db2.gz IQTFNZLVJMXPDB-AWEZNQCLSA-N 1 1 284.407 3.267 20 30 CGEDMO C=C(CC)C[N@@H+]1CC[C@H](CN(CC)CC(F)(F)F)C1 ZINC000536892568 330363479 /nfs/dbraw/zinc/36/34/79/330363479.db2.gz GCEZRTXQINXNDI-CYBMUJFWSA-N 1 1 278.362 3.159 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(CO)o1)Cc1cccs1 ZINC000119938038 330381538 /nfs/dbraw/zinc/38/15/38/330381538.db2.gz RHGPAQVJOUBQMG-UHFFFAOYSA-N 1 1 263.362 3.022 20 30 CGEDMO C=CC[N@H+](Cc1ccc(CO)o1)Cc1cccs1 ZINC000119938038 330381539 /nfs/dbraw/zinc/38/15/39/330381539.db2.gz RHGPAQVJOUBQMG-UHFFFAOYSA-N 1 1 263.362 3.022 20 30 CGEDMO CCC[C@@](C)([NH2+]CCCCC(C)(C)C#N)C(=O)OC ZINC000444650099 330816606 /nfs/dbraw/zinc/81/66/06/330816606.db2.gz NHZRWLASANXEMW-OAHLLOKOSA-N 1 1 268.401 3.028 20 30 CGEDMO C=CCC[C@@H]([NH2+][C@H]1CCCC12CCC2)C(=O)OCC ZINC000449653357 330942131 /nfs/dbraw/zinc/94/21/31/330942131.db2.gz CAFNQPJRXJOGEP-KGLIPLIRSA-N 1 1 265.397 3.197 20 30 CGEDMO C=CCC[C@@H]([NH2+][C@@H](C)C1CCCC1)C(=O)OCC ZINC000449656883 330942483 /nfs/dbraw/zinc/94/24/83/330942483.db2.gz MUGFMLYIHBBLEE-GXTWGEPZSA-N 1 1 253.386 3.053 20 30 CGEDMO C=CCOCC[N@@H+]1[C@H](C)[C@H](CC(F)(F)F)C[C@@H]1C ZINC000451149576 331017751 /nfs/dbraw/zinc/01/77/51/331017751.db2.gz QIQBPROFXYEMAD-TUAOUCFPSA-N 1 1 265.319 3.240 20 30 CGEDMO Cc1cccc2c1CC(C)(C)[N@@H+](CCOCCC#N)C2 ZINC000451259108 331022310 /nfs/dbraw/zinc/02/23/10/331022310.db2.gz HKYAERVICHKDSE-UHFFFAOYSA-N 1 1 272.392 3.062 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451427384 331029091 /nfs/dbraw/zinc/02/90/91/331029091.db2.gz XCGCYGIETJYCIU-ZJIFWQFVSA-N 1 1 251.414 3.357 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000451972004 331049091 /nfs/dbraw/zinc/04/90/91/331049091.db2.gz NUULLHZNNUHYEF-HNNXBMFYSA-N 1 1 267.319 3.304 20 30 CGEDMO COC[C@@H]1CCC[N@@H+](Cc2ccc(CC#N)cc2)CC1 ZINC000452077915 331053355 /nfs/dbraw/zinc/05/33/55/331053355.db2.gz CVXCSQNJWSATAJ-QGZVFWFLSA-N 1 1 272.392 3.001 20 30 CGEDMO C=C(CC)C[NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000453359494 331122253 /nfs/dbraw/zinc/12/22/53/331122253.db2.gz MJCVBZJEEWKWGG-CQSZACIVSA-N 1 1 259.328 3.194 20 30 CGEDMO C=CC1CCN(c2cc(C(C)C)[nH+]c(N(C)C)n2)CC1 ZINC000462848676 331332684 /nfs/dbraw/zinc/33/26/84/331332684.db2.gz VCACWAHBVUMANX-UHFFFAOYSA-N 1 1 274.412 3.068 20 30 CGEDMO CC(C)[N@@H+](CC#Cc1ccccc1Cl)[C@H]1CCOC1 ZINC000463225239 331342909 /nfs/dbraw/zinc/34/29/09/331342909.db2.gz YGJOWPWGXAYHJG-HNNXBMFYSA-N 1 1 277.795 3.191 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCCC[N@@H+]1CCCC ZINC000464448141 331360850 /nfs/dbraw/zinc/36/08/50/331360850.db2.gz NMUJJGYATKYYQX-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[NH+](CC=C)Cc1ccnn1-c1ccccc1C ZINC000474093338 331569672 /nfs/dbraw/zinc/56/96/72/331569672.db2.gz BITIMBDDZCUOQU-UHFFFAOYSA-N 1 1 267.376 3.355 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CCCOc1ccc2c(c1)OCO2 ZINC000489428570 332051645 /nfs/dbraw/zinc/05/16/45/332051645.db2.gz OTAMQKNKFWPWAX-CQSZACIVSA-N 1 1 289.375 3.225 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)c2cccc(OC)c2)n1 ZINC000491325922 332190043 /nfs/dbraw/zinc/19/00/43/332190043.db2.gz IHCVWOYWAKMUPN-HNNXBMFYSA-N 1 1 297.402 3.108 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)[C@@H](C)c2cccc(OC)c2)n1 ZINC000491325922 332190045 /nfs/dbraw/zinc/19/00/45/332190045.db2.gz IHCVWOYWAKMUPN-HNNXBMFYSA-N 1 1 297.402 3.108 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(OCc2cccnc2)cc1 ZINC000491427235 332209545 /nfs/dbraw/zinc/20/95/45/332209545.db2.gz JPEROZQCLRPSND-HNNXBMFYSA-N 1 1 280.371 3.114 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1c[nH]c2nccnc12)c1ccc(Cl)cc1 ZINC000491543461 332233766 /nfs/dbraw/zinc/23/37/66/332233766.db2.gz GYYJGQKNHITXLJ-CQSZACIVSA-N 1 1 296.761 3.027 20 30 CGEDMO C#CC[NH+]1CCC(c2nc(C3(CC)CCCC3)no2)CC1 ZINC000491569107 332240073 /nfs/dbraw/zinc/24/00/73/332240073.db2.gz URXUOHFCEWVONN-UHFFFAOYSA-N 1 1 287.407 3.104 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1cc(-c2ccncc2)ccc1OC ZINC000491656388 332268291 /nfs/dbraw/zinc/26/82/91/332268291.db2.gz IJJGVORQQHDHBX-CQSZACIVSA-N 1 1 280.371 3.211 20 30 CGEDMO C#C[C@H]([NH2+]Cc1ccc2c[nH]nc2c1)c1ccc(F)cc1 ZINC000491734740 332315489 /nfs/dbraw/zinc/31/54/89/332315489.db2.gz BXAPROZULQTKLY-INIZCTEOSA-N 1 1 279.318 3.166 20 30 CGEDMO C=CC[NH+](CC=C)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000492379447 332394816 /nfs/dbraw/zinc/39/48/16/332394816.db2.gz WREQWBGURVLQJO-UHFFFAOYSA-N 1 1 276.336 3.168 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000492420529 332396754 /nfs/dbraw/zinc/39/67/54/332396754.db2.gz ZFLHXSJXPZAYFH-UHFFFAOYSA-N 1 1 264.325 3.001 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000305819149 333000076 /nfs/dbraw/zinc/00/00/76/333000076.db2.gz PREGOAPVGWQXNN-CJNGLKHVSA-N 1 1 297.826 3.286 20 30 CGEDMO CC(C)[C@H](CC[N@@H+](C)CCCC#N)NC(=O)OC(C)(C)C ZINC000178464978 333073245 /nfs/dbraw/zinc/07/32/45/333073245.db2.gz KSCJGDDSQDDUFU-AWEZNQCLSA-N 1 1 297.443 3.161 20 30 CGEDMO C=CC[N@H+](CC[C@H]1CCCO1)Cc1ccc(OC)cc1 ZINC000188850625 333174792 /nfs/dbraw/zinc/17/47/92/333174792.db2.gz QVLVMNYPLQYLEK-QGZVFWFLSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CC[N@@H+](CCOCC(F)F)Cc1ccccc1F ZINC000188862876 333174936 /nfs/dbraw/zinc/17/49/36/333174936.db2.gz UNEXNBXLDFCEOC-UHFFFAOYSA-N 1 1 273.298 3.095 20 30 CGEDMO C=CC[N@H+](CCOCC(F)F)Cc1ccccc1F ZINC000188862876 333174937 /nfs/dbraw/zinc/17/49/37/333174937.db2.gz UNEXNBXLDFCEOC-UHFFFAOYSA-N 1 1 273.298 3.095 20 30 CGEDMO C=CC[N@H+](C[C@@H](O)CC(F)(F)F)CC1CCCCC1 ZINC000189275228 333189050 /nfs/dbraw/zinc/18/90/50/333189050.db2.gz XXEDVRUFPUXEIF-ZDUSSCGKSA-N 1 1 279.346 3.368 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000190329153 333205788 /nfs/dbraw/zinc/20/57/88/333205788.db2.gz HMPQTPXFANJQPS-UHFFFAOYSA-N 1 1 277.318 3.158 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000190329153 333205789 /nfs/dbraw/zinc/20/57/89/333205789.db2.gz HMPQTPXFANJQPS-UHFFFAOYSA-N 1 1 277.318 3.158 20 30 CGEDMO C#CC[N@@H+](C)Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000192238257 333233573 /nfs/dbraw/zinc/23/35/73/333233573.db2.gz TZWSLNUAWUFFFI-UHFFFAOYSA-N 1 1 260.724 3.060 20 30 CGEDMO C#CC[N@H+](C)Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000192238257 333233574 /nfs/dbraw/zinc/23/35/74/333233574.db2.gz TZWSLNUAWUFFFI-UHFFFAOYSA-N 1 1 260.724 3.060 20 30 CGEDMO C=CCCCCC[N@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000193458076 333250484 /nfs/dbraw/zinc/25/04/84/333250484.db2.gz HFLGAOUTSVOOHF-CYBMUJFWSA-N 1 1 278.362 3.301 20 30 CGEDMO C=CCCCC[N@H+]1CCCN(c2nccs2)CC1 ZINC000575986659 335138572 /nfs/dbraw/zinc/13/85/72/335138572.db2.gz RIMCSPLFUAIOTD-UHFFFAOYSA-N 1 1 265.426 3.012 20 30 CGEDMO C=C(C)CN(CC)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000546723013 334048248 /nfs/dbraw/zinc/04/82/48/334048248.db2.gz ITUQFUWDFKKJSZ-UHFFFAOYSA-N 1 1 266.429 3.066 20 30 CGEDMO CN(C[C@@H]1CCC[N@H+]1CCCCC#N)C(=O)OC(C)(C)C ZINC000076017369 334066645 /nfs/dbraw/zinc/06/66/45/334066645.db2.gz QIRFDLBTUUJBNK-AWEZNQCLSA-N 1 1 295.427 3.012 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)Nc1nc2c(s1)C[N@H+](CC)CC2 ZINC000134858318 334105728 /nfs/dbraw/zinc/10/57/28/334105728.db2.gz CWMRCTBWEAPGQL-HNNXBMFYSA-N 1 1 293.436 3.062 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)Nc1nc2c(s1)C[N@@H+](CC)CC2 ZINC000134858318 334105729 /nfs/dbraw/zinc/10/57/29/334105729.db2.gz CWMRCTBWEAPGQL-HNNXBMFYSA-N 1 1 293.436 3.062 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CC(C)(C)O1 ZINC000135145758 334117851 /nfs/dbraw/zinc/11/78/51/334117851.db2.gz QJIWIMQVKZCBMF-AWEZNQCLSA-N 1 1 286.419 3.487 20 30 CGEDMO C=CCOCC[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000549464317 334194642 /nfs/dbraw/zinc/19/46/42/334194642.db2.gz VMDCPEXHIQFLBH-HNNXBMFYSA-N 1 1 277.433 3.303 20 30 CGEDMO C=CCOCC[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000549612493 334199728 /nfs/dbraw/zinc/19/97/28/334199728.db2.gz SRNYZGVBHHEDOY-LLVKDONJSA-N 1 1 265.319 3.099 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000091536448 334379953 /nfs/dbraw/zinc/37/99/53/334379953.db2.gz YEGNEPBGOYPAPF-GFCCVEGCSA-N 1 1 265.353 3.334 20 30 CGEDMO CCc1ccccc1NC(=O)C[NH+]1CCC(CCC#N)CC1 ZINC000567789734 334761047 /nfs/dbraw/zinc/76/10/47/334761047.db2.gz BSRDMXNKWHWORS-UHFFFAOYSA-N 1 1 299.418 3.203 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(CC#N)cc2)CCS1 ZINC000343540311 335208593 /nfs/dbraw/zinc/20/85/93/335208593.db2.gz RBMLSLFVAYNTQN-UHFFFAOYSA-N 1 1 260.406 3.080 20 30 CGEDMO N#CC1(CCC[N@H+]2CC[C@@H]3CCCC[C@@H]32)CCOCC1 ZINC000580547571 335274085 /nfs/dbraw/zinc/27/40/85/335274085.db2.gz JLKYFMQVEHRIJH-HOTGVXAUSA-N 1 1 276.424 3.351 20 30 CGEDMO CCCC[C@H](C)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000382294380 336085412 /nfs/dbraw/zinc/08/54/12/336085412.db2.gz VULKGCYVFDJOPP-AWEZNQCLSA-N 1 1 260.381 3.448 20 30 CGEDMO C=CCCC[N@@H+](C)[C@@H](C(=O)OCC)c1ccccc1 ZINC000382528046 336092403 /nfs/dbraw/zinc/09/24/03/336092403.db2.gz CWUNOAXKOZSXHP-OAHLLOKOSA-N 1 1 261.365 3.189 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C(=O)OCC)c1ccccc1 ZINC000382528046 336092405 /nfs/dbraw/zinc/09/24/05/336092405.db2.gz CWUNOAXKOZSXHP-OAHLLOKOSA-N 1 1 261.365 3.189 20 30 CGEDMO CC[C@H]1[C@H](C)CC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000384283517 336123280 /nfs/dbraw/zinc/12/32/80/336123280.db2.gz JCAKUEGJVHWMOO-PBHICJAKSA-N 1 1 272.392 3.448 20 30 CGEDMO Cc1cccc([C@@H](C)[NH2+]Cc2nc(C#N)cs2)c1 ZINC000386262682 336169478 /nfs/dbraw/zinc/16/94/78/336169478.db2.gz MZVDSRPLJKEROQ-LLVKDONJSA-N 1 1 257.362 3.174 20 30 CGEDMO C[C@H]1Cc2[nH+]cn(Cc3cccc(C#N)c3F)c2C[C@@H]1C ZINC000386664842 336176999 /nfs/dbraw/zinc/17/69/99/336176999.db2.gz BATQGABDVQKVOX-RYUDHWBXSA-N 1 1 283.350 3.313 20 30 CGEDMO COc1ccc(C[C@@H]2CCC[N@@H+](CC3(C#N)CC3)C2)cc1 ZINC000347479795 533764864 /nfs/dbraw/zinc/76/48/64/533764864.db2.gz MXLOJKKNMBTNLM-INIZCTEOSA-N 1 1 284.403 3.253 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCCOC(C)(C)C1 ZINC000365412199 534048600 /nfs/dbraw/zinc/04/86/00/534048600.db2.gz MCRHPYZVTYXWNV-ZDUSSCGKSA-N 1 1 258.365 3.120 20 30 CGEDMO CC[C@@H]1CCCCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000150736456 523145269 /nfs/dbraw/zinc/14/52/69/523145269.db2.gz FHHNEFFKHKDVQQ-CYBMUJFWSA-N 1 1 291.420 3.213 20 30 CGEDMO CC[C@@H]1CCCCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000150736456 523145275 /nfs/dbraw/zinc/14/52/75/523145275.db2.gz FHHNEFFKHKDVQQ-CYBMUJFWSA-N 1 1 291.420 3.213 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000155961221 523526981 /nfs/dbraw/zinc/52/69/81/523526981.db2.gz AAVXKOXRYRCKBZ-GASCZTMLSA-N 1 1 270.376 3.189 20 30 CGEDMO N#Cc1ccccc1NC(=O)CC[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000177575532 534817807 /nfs/dbraw/zinc/81/78/07/534817807.db2.gz DBFMDHQXLFSQHC-IYBDPMFKSA-N 1 1 297.402 3.009 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1c(C)nc2ccccn21 ZINC000352701188 526324677 /nfs/dbraw/zinc/32/46/77/526324677.db2.gz FYGUHTJTBKBDJU-UHFFFAOYSA-N 1 1 295.386 3.466 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccnn1-c1ccc(F)cc1 ZINC000354657559 526505280 /nfs/dbraw/zinc/50/52/80/526505280.db2.gz IBEHIELQBOODMB-UHFFFAOYSA-N 1 1 259.328 3.019 20 30 CGEDMO C=CCCC[N@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000344581641 527196040 /nfs/dbraw/zinc/19/60/40/527196040.db2.gz UBVPCHJXKUYVGA-KRWDZBQOSA-N 1 1 259.393 3.325 20 30 CGEDMO C=CCCCNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000344497289 527224266 /nfs/dbraw/zinc/22/42/66/527224266.db2.gz KSFQJUIRRIJMKC-CQSZACIVSA-N 1 1 280.799 3.025 20 30 CGEDMO C=CCCCNC(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000344552188 527229989 /nfs/dbraw/zinc/22/99/89/527229989.db2.gz LBLLYEZUIWPWHA-UHFFFAOYSA-N 1 1 286.419 3.367 20 30 CGEDMO C=CCCN(C)C(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000344264971 527317136 /nfs/dbraw/zinc/31/71/36/527317136.db2.gz OQNTYUZCOMEIAS-UHFFFAOYSA-N 1 1 286.419 3.319 20 30 CGEDMO C=CCC[N@@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000347333619 527326516 /nfs/dbraw/zinc/32/65/16/527326516.db2.gz HXABHFSZONOIGD-UONOGXRCSA-N 1 1 263.406 3.063 20 30 CGEDMO C=C[C@@H](C)[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000344363054 527415280 /nfs/dbraw/zinc/41/52/80/527415280.db2.gz SPNDIQZKRSUHCJ-SECBINFHSA-N 1 1 297.189 3.238 20 30 CGEDMO CCN1CC[C@@H]([N@H+](C)CC(C)(C)CCC#N)C[C@H]1C ZINC000353769311 527753646 /nfs/dbraw/zinc/75/36/46/527753646.db2.gz RFWGMMXXDBMWKP-HUUCEWRRSA-N 1 1 265.445 3.121 20 30 CGEDMO CCN1CC[C@@H]([N@@H+](C)CC(C)(C)CCC#N)C[C@H]1C ZINC000353769311 527753649 /nfs/dbraw/zinc/75/36/49/527753649.db2.gz RFWGMMXXDBMWKP-HUUCEWRRSA-N 1 1 265.445 3.121 20 30 CGEDMO CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)C1CC(C)(C)C1 ZINC000412044849 527925330 /nfs/dbraw/zinc/92/53/30/527925330.db2.gz YKPNMARJNINKIC-UHFFFAOYSA-N 1 1 285.391 3.007 20 30 CGEDMO CC(C)C[N@@H+](CCC[C@H](C)O)Cc1ccc(C#N)cc1 ZINC000354895175 527938596 /nfs/dbraw/zinc/93/85/96/527938596.db2.gz PJOCPVPZIRBIBH-HNNXBMFYSA-N 1 1 274.408 3.177 20 30 CGEDMO CC(C)C[N@@H+](CCC1(O)CCC1)Cc1ccc(C#N)cc1 ZINC000411205796 527938648 /nfs/dbraw/zinc/93/86/48/527938648.db2.gz IYCCLRKXDRQRAG-UHFFFAOYSA-N 1 1 286.419 3.321 20 30 CGEDMO CCC[N@H+](CCN1CCCC1)[C@H](C)c1cccc(C#N)c1 ZINC000411716204 528081551 /nfs/dbraw/zinc/08/15/51/528081551.db2.gz FJUKXQNAYPBBOA-MRXNPFEDSA-N 1 1 285.435 3.427 20 30 CGEDMO CCC[N@@H+](CCN1CCCC1)[C@H](C)c1cccc(C#N)c1 ZINC000411716204 528081557 /nfs/dbraw/zinc/08/15/57/528081557.db2.gz FJUKXQNAYPBBOA-MRXNPFEDSA-N 1 1 285.435 3.427 20 30 CGEDMO CCC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)CC1CC1 ZINC000441243107 528154531 /nfs/dbraw/zinc/15/45/31/528154531.db2.gz HUJKWHDGUQXPQO-UHFFFAOYSA-N 1 1 296.374 3.230 20 30 CGEDMO CCN(CC)[C@@H](C)C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000359024443 528232439 /nfs/dbraw/zinc/23/24/39/528232439.db2.gz DZWYQHLPZKXNGC-STQMWFEESA-N 1 1 277.387 3.078 20 30 CGEDMO CC(C)C[C@@H](CO)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439432320 528337378 /nfs/dbraw/zinc/33/73/78/528337378.db2.gz PYHRGKPQZOFPDX-AWEZNQCLSA-N 1 1 280.799 3.050 20 30 CGEDMO CCCO[C@@H]1CCC[N@H+](Cc2cccc(F)c2C#N)CC1 ZINC000428224524 528606907 /nfs/dbraw/zinc/60/69/07/528606907.db2.gz ABRWZZAZJQOKPU-OAHLLOKOSA-N 1 1 290.382 3.478 20 30 CGEDMO CCCO[C@@H]1CCC[N@@H+](Cc2cccc(F)c2C#N)CC1 ZINC000428224524 528606911 /nfs/dbraw/zinc/60/69/11/528606911.db2.gz ABRWZZAZJQOKPU-OAHLLOKOSA-N 1 1 290.382 3.478 20 30 CGEDMO CCC[C@@H](C)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000177278006 528889509 /nfs/dbraw/zinc/88/95/09/528889509.db2.gz HVPCUCZQCBAVLR-OAHLLOKOSA-N 1 1 271.408 3.259 20 30 CGEDMO CC(C)[N@@H+](CCc1cncs1)Cc1ccc(C#N)cc1 ZINC000411197279 528913610 /nfs/dbraw/zinc/91/36/10/528913610.db2.gz CRIZRCQIGXNTSB-UHFFFAOYSA-N 1 1 285.416 3.468 20 30 CGEDMO CC[C@@H](NC[C@H](C)[NH+](CC)CC)c1ccc(C#N)cc1 ZINC000359029582 529177890 /nfs/dbraw/zinc/17/78/90/529177890.db2.gz MCRUDSNBOWQGTF-WMLDXEAASA-N 1 1 273.424 3.329 20 30 CGEDMO CC[C@H](C)[C@H]1CCCC[N@H+]1Cc1nc(C#N)cs1 ZINC000356107384 529267662 /nfs/dbraw/zinc/26/76/62/529267662.db2.gz CUEPNHRMOKBUCP-WCQYABFASA-N 1 1 263.410 3.415 20 30 CGEDMO C[N@@H+](Cc1ccc(OCC#N)cc1)Cc1cccc(C#N)c1 ZINC000729266798 571893523 /nfs/dbraw/zinc/89/35/23/571893523.db2.gz DGDUQVQEWACQEL-UHFFFAOYSA-N 1 1 291.354 3.093 20 30 CGEDMO Cc1ccccc1N1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000197618255 572342885 /nfs/dbraw/zinc/34/28/85/572342885.db2.gz WQNWEICMGCFJJI-UHFFFAOYSA-N 1 1 290.410 3.169 20 30 CGEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[Si](C)(C)C ZINC000731211885 572402303 /nfs/dbraw/zinc/40/23/03/572402303.db2.gz GUYZZADYQJPLRX-UHFFFAOYSA-N 1 1 278.428 3.460 20 30 CGEDMO CCCCCCCCC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000741722891 572519185 /nfs/dbraw/zinc/51/91/85/572519185.db2.gz TYRRQOQVRUOVPM-LSDHHAIUSA-N 1 1 268.445 3.336 20 30 CGEDMO COc1cccc(CCC[N@@H+](CCC#N)CC(C)C)c1 ZINC000741796752 572530356 /nfs/dbraw/zinc/53/03/56/572530356.db2.gz XXEVEKZANUMSIW-UHFFFAOYSA-N 1 1 274.408 3.499 20 30 CGEDMO C=CC[N@@H+](C[C@@H](O)c1cccc(Cl)c1)C(C)C ZINC000743841107 572686912 /nfs/dbraw/zinc/68/69/12/572686912.db2.gz FAHYTNQCVOAFAM-CQSZACIVSA-N 1 1 253.773 3.270 20 30 CGEDMO C=C(Cl)CN1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000743872417 572694238 /nfs/dbraw/zinc/69/42/38/572694238.db2.gz VWJSCZMEURMFEU-OAHLLOKOSA-N 1 1 278.827 3.335 20 30 CGEDMO CCCCC(N)=[NH+]OCc1cc(Cl)ccc1OCC#N ZINC000735303651 572714252 /nfs/dbraw/zinc/71/42/52/572714252.db2.gz ZWPVICZPCFJCQF-UHFFFAOYSA-N 1 1 295.770 3.431 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cc(Cl)ccc1OCC#N ZINC000735311168 572714531 /nfs/dbraw/zinc/71/45/31/572714531.db2.gz LPQFZJCYNGBOSG-UHFFFAOYSA-N 1 1 276.767 3.416 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000736945139 572826877 /nfs/dbraw/zinc/82/68/77/572826877.db2.gz DEGPFQUITAMCAD-CYBMUJFWSA-N 1 1 253.748 3.443 20 30 CGEDMO C#CC[N@H+](Cc1cccc(OC)c1OC)C1CCCCC1 ZINC000746146351 572857271 /nfs/dbraw/zinc/85/72/71/572857271.db2.gz AKGWVCGEHCRZQF-UHFFFAOYSA-N 1 1 287.403 3.472 20 30 CGEDMO CC[N@@H+](C/C=C(\C)C(=O)OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000746503491 572875516 /nfs/dbraw/zinc/87/55/16/572875516.db2.gz SHMYMHBGIJNIST-UELRPHRMSA-N 1 1 286.375 3.060 20 30 CGEDMO Cc1nn(C)c(C)c1C[N@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000749905447 573055709 /nfs/dbraw/zinc/05/57/09/573055709.db2.gz HYOWUFVTJWFNCQ-CYBMUJFWSA-N 1 1 282.391 3.102 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)=C2CCC2)C1 ZINC000966003804 613264541 /nfs/dbraw/zinc/26/45/41/613264541.db2.gz LREAHBXJEPAGQE-RHSMWYFYSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cocc2C)C[C@H]1C ZINC000947624021 613268164 /nfs/dbraw/zinc/26/81/64/613268164.db2.gz GCJIEPLVFKLHTJ-HUUCEWRRSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2(C)CCCC2)[C@@H](C)C1 ZINC000942540131 613270455 /nfs/dbraw/zinc/27/04/55/613270455.db2.gz HEQZXMFONFWJEA-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccoc2C)C[C@H]1C ZINC000947032038 613272156 /nfs/dbraw/zinc/27/21/56/613272156.db2.gz JIQIVNZREGVSAJ-HIFRSBDPSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)C2(C)CC(=C)C2)C(C)(C)C1 ZINC000975013416 613273516 /nfs/dbraw/zinc/27/35/16/613273516.db2.gz AVUYCYPUBIFCSG-OAHLLOKOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C=C(C)C)CC[C@@H]2C1 ZINC000946457366 613278294 /nfs/dbraw/zinc/27/82/94/613278294.db2.gz MZRNLCRSWSTYGE-CALCHBBNSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2sccc2CC)C1 ZINC000980470961 613292395 /nfs/dbraw/zinc/29/23/95/613292395.db2.gz JFFSDZZPMMKILU-AWEZNQCLSA-N 1 1 292.448 3.033 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)C2CCCC2)CC1 ZINC000948135521 613313902 /nfs/dbraw/zinc/31/39/02/613313902.db2.gz FMMBCBNZRJXFAT-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@]2(C)C=CCC2)CC1 ZINC000948680401 613314200 /nfs/dbraw/zinc/31/42/00/613314200.db2.gz HPIFTQJVTOKIEQ-SJLPKXTDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC2(C)C)C(C)(C)C1 ZINC000940965333 613328400 /nfs/dbraw/zinc/32/84/00/613328400.db2.gz OBUDWAMDNFXOCQ-HUUCEWRRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C)s2)[C@@H](C)C1 ZINC000941753356 613329703 /nfs/dbraw/zinc/32/97/03/613329703.db2.gz XYKRULVSLPIBNM-GXTWGEPZSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C2(F)CCCCC2)C1 ZINC000968507008 613332039 /nfs/dbraw/zinc/33/20/39/613332039.db2.gz YPNDVUWXMCKVIR-GJZGRUSLSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2C=CCC2)C(C)(C)C1 ZINC000940562548 613335043 /nfs/dbraw/zinc/33/50/43/613335043.db2.gz FRNNJPUYPSZSPD-CVEARBPZSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@]2(C)C=CCC2)C(C)(C)C1 ZINC000940958818 613335629 /nfs/dbraw/zinc/33/56/29/613335629.db2.gz JXAWRDLINDCLCH-YJBOKZPZSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]1C[N@H+](C)C(C)C ZINC000960648309 613367598 /nfs/dbraw/zinc/36/75/98/613367598.db2.gz LAQUEDUDIMMGOP-ZDUSSCGKSA-N 1 1 286.847 3.096 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CC2(C1)CCC[N@H+](C(C)C)C2 ZINC000981792888 613367680 /nfs/dbraw/zinc/36/76/80/613367680.db2.gz CTSQCVSETSIAJV-UHFFFAOYSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2=CCCC2)C(C)(C)C1 ZINC000940672005 613376092 /nfs/dbraw/zinc/37/60/92/613376092.db2.gz FOJQWBNLDIGQJI-CQSZACIVSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2=CCCC2)C(C)(C)C1 ZINC000940672005 613376093 /nfs/dbraw/zinc/37/60/93/613376093.db2.gz FOJQWBNLDIGQJI-CQSZACIVSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)C2CC2)C(C)(C)C1 ZINC000940654871 613376704 /nfs/dbraw/zinc/37/67/04/613376704.db2.gz FRQCCHQFMRISHO-GXTWGEPZSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)C2CC2)C(C)(C)C1 ZINC000940654871 613376705 /nfs/dbraw/zinc/37/67/05/613376705.db2.gz FRQCCHQFMRISHO-GXTWGEPZSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccsc2)C[C@H]1C ZINC000947001319 613376965 /nfs/dbraw/zinc/37/69/65/613376965.db2.gz NXYIKMXNOSYGRD-DGCLKSJQSA-N 1 1 298.839 3.083 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccsc2)C[C@H]1C ZINC000947001319 613376966 /nfs/dbraw/zinc/37/69/66/613376966.db2.gz NXYIKMXNOSYGRD-DGCLKSJQSA-N 1 1 298.839 3.083 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](CCC(C)C)[C@H](C)C2)C1 ZINC000947702299 613397217 /nfs/dbraw/zinc/39/72/17/613397217.db2.gz MDELQDXDKZZAAT-HZPDHXFCSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[N@H+](C(C)C)CC2(C)C)CC1 ZINC000940996904 613411982 /nfs/dbraw/zinc/41/19/82/613411982.db2.gz JTZOHGWGSWZPII-INIZCTEOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[N@H+](CCC)CC2(C)C)CC1 ZINC000940997056 613412039 /nfs/dbraw/zinc/41/20/39/613412039.db2.gz NIQKPFWYWYNILM-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2C[N@@H+](CCCC)CC[C@@H]2C)CC1 ZINC000968215072 613412801 /nfs/dbraw/zinc/41/28/01/613412801.db2.gz VTIMMWKVJIIDAQ-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)c2cccc(Cl)c2)C1 ZINC000957311961 613480312 /nfs/dbraw/zinc/48/03/12/613480312.db2.gz SQUHWBWBRPSKGF-UHFFFAOYSA-N 1 1 292.810 3.062 20 30 CGEDMO C=CCC[N@H+]1CCCN(C(=O)[C@@H]2CCC=CCCC2)CC1 ZINC000981432570 613494040 /nfs/dbraw/zinc/49/40/40/613494040.db2.gz DYTJHSQZNDNXPS-QGZVFWFLSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC2(C)C)CC1 ZINC000948696922 613500794 /nfs/dbraw/zinc/50/07/94/613500794.db2.gz BUMISANWQDKJQQ-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)C2(C)CC=CC2)CC1 ZINC000948746654 613500835 /nfs/dbraw/zinc/50/08/35/613500835.db2.gz HCPZMGJYJPBLAJ-INIZCTEOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)C2CC3(CC3)C2)CC1 ZINC000948767492 613500945 /nfs/dbraw/zinc/50/09/45/613500945.db2.gz XPLNBTHYZJERDJ-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)c2ccccc2)CC1 ZINC000948148556 613501476 /nfs/dbraw/zinc/50/14/76/613501476.db2.gz ABAZTVXUNADHOO-KRWDZBQOSA-N 1 1 286.419 3.189 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[N@@H+](CCC(=C)C)CC1 ZINC000981887429 613501654 /nfs/dbraw/zinc/50/16/54/613501654.db2.gz DWJAMJRHKAHQKR-QGZVFWFLSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC000965864216 613515262 /nfs/dbraw/zinc/51/52/62/613515262.db2.gz SMJVAGDBKOKAGT-KGLIPLIRSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C2CC(C)(C)C2)C(C)(C)C1 ZINC000940726712 613519912 /nfs/dbraw/zinc/51/99/12/613519912.db2.gz QDZHYNWGYKUFOB-OAHLLOKOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)CC2=CCCCC2)C[C@@H]1C ZINC000947142289 613520195 /nfs/dbraw/zinc/52/01/95/613520195.db2.gz AQYGVXFPRLFKOZ-DOTOQJQBSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2CC3(CCC3)C2)C[C@@H]1C ZINC000947624889 613534083 /nfs/dbraw/zinc/53/40/83/613534083.db2.gz NYEPTEAXFRTGCI-HOCLYGCPSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2C(C)(C)C2(C)C)C[C@H]1C ZINC000947173882 613534309 /nfs/dbraw/zinc/53/43/09/613534309.db2.gz AYLLRYOHEXAVAG-KGLIPLIRSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)C2=CCCCCC2)[C@H](C)C1 ZINC000941993702 613534430 /nfs/dbraw/zinc/53/44/30/613534430.db2.gz URESIQCHFOTEIT-WBVHZDCISA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2CCC(=C)CC2)C[C@@H]1C ZINC000947684513 613534825 /nfs/dbraw/zinc/53/48/25/613534825.db2.gz IQROVKQPSKPXSR-RDJZCZTQSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2CCCCC2)C[C@@H]1C ZINC000947005715 613534875 /nfs/dbraw/zinc/53/48/75/613534875.db2.gz SNESGIWLFKDCAL-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)c(C)o2)C[C@@H]1C ZINC000947199364 613537964 /nfs/dbraw/zinc/53/79/64/613537964.db2.gz BIYTWAOYLFDKGN-ZFWWWQNUSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)c2cc3c(cccc3C)o2)C1 ZINC000980511714 613619749 /nfs/dbraw/zinc/61/97/49/613619749.db2.gz SGVQPSFYVUUUEO-CQSZACIVSA-N 1 1 298.386 3.074 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)c2cc3cc(C)ccc3o2)C1 ZINC000980483254 613635890 /nfs/dbraw/zinc/63/58/90/613635890.db2.gz LQRUZMFHJIDSLN-HNNXBMFYSA-N 1 1 298.386 3.074 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)c2ccc3ccccc3c2)C1 ZINC000972791345 613637450 /nfs/dbraw/zinc/63/74/50/613637450.db2.gz LGRYPCXEUIOHGH-SFHVURJKSA-N 1 1 294.398 3.172 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccc(F)s1 ZINC000969160440 613684890 /nfs/dbraw/zinc/68/48/90/613684890.db2.gz CEOBIHIJTZFMMW-GFCCVEGCSA-N 1 1 296.411 3.048 20 30 CGEDMO C=CC[N@H+]1CCCCC[C@H]1CNC(=O)C1CC2(CCC2)C1 ZINC000968984832 613685738 /nfs/dbraw/zinc/68/57/38/613685738.db2.gz IMNGMMXMKVWSCM-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)[C@@H](C)CC2CCCCC2)CC1 ZINC000982070301 613690900 /nfs/dbraw/zinc/69/09/00/613690900.db2.gz NBMBTAADBLFHTD-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000963246671 613706467 /nfs/dbraw/zinc/70/64/67/613706467.db2.gz JFGHLEXRGJVRCK-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)C2CCCC2)[C@H](C)C1 ZINC000942134826 613740637 /nfs/dbraw/zinc/74/06/37/613740637.db2.gz BQXHHIOKQLJUCU-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941008286 613746774 /nfs/dbraw/zinc/74/67/74/613746774.db2.gz MBHFLKDXIULDTH-LSDHHAIUSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)c2cc3ccccc3o2)[C@H](C)C1 ZINC000944633228 613751029 /nfs/dbraw/zinc/75/10/29/613751029.db2.gz DZJCAQRZOWZQGH-UKRRQHHQSA-N 1 1 298.386 3.059 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC)s2)C[C@@H]1C ZINC000947516748 613752729 /nfs/dbraw/zinc/75/27/29/613752729.db2.gz WYDZDEJCLWDFRD-QWHCGFSZSA-N 1 1 292.448 3.079 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2coc3ccccc23)C[C@@H]1C ZINC000948093782 613759410 /nfs/dbraw/zinc/75/94/10/613759410.db2.gz AKDXTZWQHLZKTR-UONOGXRCSA-N 1 1 298.386 3.202 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cc(C)sc2C)C[C@@H]1C ZINC000947515639 613788429 /nfs/dbraw/zinc/78/84/29/613788429.db2.gz MPFZEWLORVVBEU-FZMZJTMJSA-N 1 1 292.448 3.134 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2sccc2CC)C[C@H]1C ZINC000948067490 613802006 /nfs/dbraw/zinc/80/20/06/613802006.db2.gz XITOJQWFWSFXRT-OCCSQVGLSA-N 1 1 292.448 3.079 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)C2(C)CCCCCC2)C(C)(C)C1 ZINC000974687151 613826462 /nfs/dbraw/zinc/82/64/62/613826462.db2.gz DBCNPXJQNHSIGI-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCC(C)(C)C2)C(C)(C)C1 ZINC000977650116 613827487 /nfs/dbraw/zinc/82/74/87/613827487.db2.gz MHBDKXMWIFHCLD-CABCVRRESA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccccc3C)C[C@@H]2C1 ZINC000979483935 613833841 /nfs/dbraw/zinc/83/38/41/613833841.db2.gz YXWYRZIIIPXOQG-BBWFWOEESA-N 1 1 298.430 3.011 20 30 CGEDMO NC(CCc1ccccc1)=[NH+]OCc1ccc(Cl)cn1 ZINC000120201266 617628211 /nfs/dbraw/zinc/62/82/11/617628211.db2.gz ISQQTEPNFMCFEW-UHFFFAOYSA-N 1 1 289.766 3.157 20 30 CGEDMO C=CC[C@H]1CCN1C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000890562634 617645931 /nfs/dbraw/zinc/64/59/31/617645931.db2.gz CQJFMKHBSOCFAX-MSOLQXFVSA-N 1 1 298.430 3.076 20 30 CGEDMO C#CC[N@@H+](Cc1cccc(SC(=O)N(C)C)c1)C(C)C ZINC000932389525 617716578 /nfs/dbraw/zinc/71/65/78/617716578.db2.gz ADPFHWCYBADSHS-UHFFFAOYSA-N 1 1 290.432 3.304 20 30 CGEDMO C#CC[C@H](Cc1ccccc1)Nc1[nH+]cnc2[nH]ccc21 ZINC000804810484 617849908 /nfs/dbraw/zinc/84/99/08/617849908.db2.gz UUARNMOQDYNSPX-CQSZACIVSA-N 1 1 276.343 3.004 20 30 CGEDMO C=C(C)c1cccc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)c1 ZINC000890889969 617891947 /nfs/dbraw/zinc/89/19/47/617891947.db2.gz DFUXBKMWPOHXTD-MRXNPFEDSA-N 1 1 270.376 3.285 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)cs1 ZINC000891404039 618188354 /nfs/dbraw/zinc/18/83/54/618188354.db2.gz BZTGWWLJMIRXQY-CQSZACIVSA-N 1 1 257.362 3.285 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)cs1 ZINC000891404039 618188356 /nfs/dbraw/zinc/18/83/56/618188356.db2.gz BZTGWWLJMIRXQY-CQSZACIVSA-N 1 1 257.362 3.285 20 30 CGEDMO C#CCC1([NH2+]Cc2noc(-c3ccccc3C)n2)CCC1 ZINC000933298185 618193801 /nfs/dbraw/zinc/19/38/01/618193801.db2.gz DAUOCICDBPMLRJ-UHFFFAOYSA-N 1 1 281.359 3.081 20 30 CGEDMO C#CC[N@H+](Cc1cnn(C)c1C1CC1)C1CCCCC1 ZINC000891824969 618319587 /nfs/dbraw/zinc/31/95/87/618319587.db2.gz VEBTWDBWBQMEMZ-UHFFFAOYSA-N 1 1 271.408 3.065 20 30 CGEDMO C[N@H+](CCC(=O)C(C)(C)C)Cc1cc(C#N)cs1 ZINC000933773379 618326331 /nfs/dbraw/zinc/32/63/31/618326331.db2.gz KYZCQLIMYLTHLY-UHFFFAOYSA-N 1 1 264.394 3.057 20 30 CGEDMO C[N@@H+](CCC(=O)C(C)(C)C)Cc1cc(C#N)cs1 ZINC000933773379 618326341 /nfs/dbraw/zinc/32/63/41/618326341.db2.gz KYZCQLIMYLTHLY-UHFFFAOYSA-N 1 1 264.394 3.057 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCCSC[C@@H]1C1CC1 ZINC000933918352 618376401 /nfs/dbraw/zinc/37/64/01/618376401.db2.gz SKUPIENJCGBHDB-QGZVFWFLSA-N 1 1 271.429 3.256 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)C[C@H]1C[C@]1(C)Br ZINC000891937563 618395369 /nfs/dbraw/zinc/39/53/69/618395369.db2.gz NFZBOAIZOMHGGM-OLZOCXBDSA-N 1 1 287.245 3.422 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)C[C@H]1C[C@]1(C)Br ZINC000891937563 618395381 /nfs/dbraw/zinc/39/53/81/618395381.db2.gz NFZBOAIZOMHGGM-OLZOCXBDSA-N 1 1 287.245 3.422 20 30 CGEDMO CC(C)(C)OCCO[NH+]=C(N)CCCc1ccccc1 ZINC000065233941 618465210 /nfs/dbraw/zinc/46/52/10/618465210.db2.gz PLJHLXSYYONQIB-UHFFFAOYSA-N 1 1 278.396 3.113 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCCC3(CCOCC3)C2)cs1 ZINC000892059139 618509741 /nfs/dbraw/zinc/50/97/41/618509741.db2.gz WXECPWCSVWZSAP-UHFFFAOYSA-N 1 1 276.405 3.012 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCCN(c2ccccc2OC)CC1 ZINC000934179938 618519273 /nfs/dbraw/zinc/51/92/73/618519273.db2.gz LMOLIDVGIWRONE-HNNXBMFYSA-N 1 1 274.408 3.172 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@@H]2Cc2ccccc2)cs1 ZINC000892131338 618549997 /nfs/dbraw/zinc/54/99/97/618549997.db2.gz YAKRREOTLHDDNH-OAHLLOKOSA-N 1 1 268.385 3.437 20 30 CGEDMO C[C@@H]1CSCCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000934305570 618587240 /nfs/dbraw/zinc/58/72/40/618587240.db2.gz RNNCIOJUEOLALJ-LLVKDONJSA-N 1 1 264.369 3.025 20 30 CGEDMO CCCCCCCC[N@@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000158151460 618618458 /nfs/dbraw/zinc/61/84/58/618618458.db2.gz LVHDJHOYKYNIIA-UONOGXRCSA-N 1 1 277.474 3.100 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1ccc(OCC(F)(F)F)nc1 ZINC000934458679 618622808 /nfs/dbraw/zinc/62/28/08/618622808.db2.gz BYSYWSHVGQLJFP-GFCCVEGCSA-N 1 1 286.297 3.173 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1cc(C)ccc1C ZINC000934472489 618628557 /nfs/dbraw/zinc/62/85/57/618628557.db2.gz RNJQKKFAVFNZRJ-LSDHHAIUSA-N 1 1 272.392 3.281 20 30 CGEDMO C#C[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccccn2)nc1 ZINC000934516204 618637915 /nfs/dbraw/zinc/63/79/15/618637915.db2.gz YDJRSHDFMYHEER-INIZCTEOSA-N 1 1 277.371 3.131 20 30 CGEDMO CC#CCC[N@@H+](CC(C)C)C[C@H](O)c1ccc(F)cc1 ZINC000155783790 618705547 /nfs/dbraw/zinc/70/55/47/618705547.db2.gz QHQHDSDJXXIFQS-KRWDZBQOSA-N 1 1 277.383 3.231 20 30 CGEDMO C#CC[N@@H+](CCC(C)(C)C#N)Cc1ccc(F)cc1 ZINC000157834294 618726820 /nfs/dbraw/zinc/72/68/20/618726820.db2.gz OLCPKBNTJPNCSA-UHFFFAOYSA-N 1 1 258.340 3.201 20 30 CGEDMO C#CC[N@H+](CCC(C)(C)C#N)Cc1ccc(F)cc1 ZINC000157834294 618726824 /nfs/dbraw/zinc/72/68/24/618726824.db2.gz OLCPKBNTJPNCSA-UHFFFAOYSA-N 1 1 258.340 3.201 20 30 CGEDMO CCc1ncc(C[NH2+][C@H](CC)c2cccc(C#N)c2O)o1 ZINC000926543140 618731936 /nfs/dbraw/zinc/73/19/36/618731936.db2.gz VTNWTVOCIDCMKM-CQSZACIVSA-N 1 1 285.347 3.055 20 30 CGEDMO C#CCCCCC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000179759097 618800812 /nfs/dbraw/zinc/80/08/12/618800812.db2.gz BJDLFZMUXPSCAX-CALCHBBNSA-N 1 1 292.467 3.054 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001007408865 618889114 /nfs/dbraw/zinc/88/91/14/618889114.db2.gz BFFFNASKXIRYTA-AEFFLSMTSA-N 1 1 290.451 3.280 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1cc(Cl)c(OC)c(OCC)c1 ZINC000775183144 619003922 /nfs/dbraw/zinc/00/39/22/619003922.db2.gz JGNFJQBVODVFEU-NSHDSACASA-N 1 1 281.783 3.201 20 30 CGEDMO CO[C@H]1CC[N@@H+](CCCCC2(C#N)CCC2)C[C@@H]1C ZINC000930641157 619042512 /nfs/dbraw/zinc/04/25/12/619042512.db2.gz WGURXORIZVPVNA-GJZGRUSLSA-N 1 1 264.413 3.207 20 30 CGEDMO C[C@@H](C[N@@H+](C)Cc1csc(C#N)c1)c1nccs1 ZINC000893534733 619207766 /nfs/dbraw/zinc/20/77/66/619207766.db2.gz DYMOUQPBIARXFF-JTQLQIEISA-N 1 1 277.418 3.312 20 30 CGEDMO CSC[C@H]1CCC[N@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000093760974 619214862 /nfs/dbraw/zinc/21/48/62/619214862.db2.gz QKLCQDAVZPFAEK-UKRRQHHQSA-N 1 1 290.432 3.305 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(OC)c(OC)c1F ZINC000893878677 619326201 /nfs/dbraw/zinc/32/62/01/619326201.db2.gz ZJXFJWIEUXZGGX-UHFFFAOYSA-N 1 1 267.344 3.241 20 30 CGEDMO N#CCC[N@@H+](C/C=C\c1cccc(F)c1)CC1CC1 ZINC000894003235 619350012 /nfs/dbraw/zinc/35/00/12/619350012.db2.gz HIPRPBNCJUEAEA-DJWKRKHSSA-N 1 1 258.340 3.465 20 30 CGEDMO N#CCC[N@H+](C/C=C\c1cccc(F)c1)CC1CC1 ZINC000894003235 619350014 /nfs/dbraw/zinc/35/00/14/619350014.db2.gz HIPRPBNCJUEAEA-DJWKRKHSSA-N 1 1 258.340 3.465 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@H+]2CCSC[C@@H]2C)c1O ZINC000178893488 619436585 /nfs/dbraw/zinc/43/65/85/619436585.db2.gz LCYWPEQCMIAEJJ-LBPRGKRZSA-N 1 1 293.432 3.067 20 30 CGEDMO C#C[C@H](CC)[NH2+]Cc1nc(-c2cccc(OC)c2)cs1 ZINC000894386794 619514266 /nfs/dbraw/zinc/51/42/66/619514266.db2.gz FDODAOWUDMUNNW-CYBMUJFWSA-N 1 1 286.400 3.320 20 30 CGEDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1csc(C#N)c1 ZINC000894412121 619525077 /nfs/dbraw/zinc/52/50/77/619525077.db2.gz HNSHSZBFXKZHNJ-GXTWGEPZSA-N 1 1 278.421 3.135 20 30 CGEDMO CCn1cc(C[NH2+]CC(C)(C)C#N)c(-c2ccccc2)n1 ZINC000894453977 619540978 /nfs/dbraw/zinc/54/09/78/619540978.db2.gz KNGOCCXWHGNFDO-UHFFFAOYSA-N 1 1 282.391 3.209 20 30 CGEDMO C#C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000894551934 619574707 /nfs/dbraw/zinc/57/47/07/619574707.db2.gz BOMHOQZCXZYDGO-NPYXIHBLSA-N 1 1 288.822 3.229 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cnc2onc(C)c2c1 ZINC000894584203 619582670 /nfs/dbraw/zinc/58/26/70/619582670.db2.gz RAUACLRWXALOGS-ZDUSSCGKSA-N 1 1 257.337 3.072 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1nccn1C1CC1 ZINC000894964400 619688214 /nfs/dbraw/zinc/68/82/14/619688214.db2.gz OZKJPDBHCTYPCR-QGZVFWFLSA-N 1 1 292.386 3.257 20 30 CGEDMO Cc1nc(CO[NH+]=C(N)C2CCCCCC2)oc1C ZINC000179005252 619734957 /nfs/dbraw/zinc/73/49/57/619734957.db2.gz YEXAKXMDEUTTGG-UHFFFAOYSA-N 1 1 265.357 3.051 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000895389727 619819712 /nfs/dbraw/zinc/81/97/12/619819712.db2.gz PLEQOGUDOZYZIA-CYBMUJFWSA-N 1 1 261.365 3.107 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](CF)C2)cc1 ZINC000895545146 619847122 /nfs/dbraw/zinc/84/71/22/619847122.db2.gz CPBARBHMFVFEOT-HIFRSBDPSA-N 1 1 276.355 3.159 20 30 CGEDMO N#Cc1csc(C[N@H+]2CC[C@@H](c3nccs3)C2)c1 ZINC000895580602 619855659 /nfs/dbraw/zinc/85/56/59/619855659.db2.gz HUIXEAAVMXWJGU-LLVKDONJSA-N 1 1 275.402 3.066 20 30 CGEDMO C=C(C)C[C@H]([NH2+]C1CCC(F)(F)CC1)C(=O)OCC ZINC000895592031 619857710 /nfs/dbraw/zinc/85/77/10/619857710.db2.gz KKOFQNUYTCBJDJ-LBPRGKRZSA-N 1 1 275.339 3.052 20 30 CGEDMO C[C@@H](CCc1cccc(F)c1)[N@H+]1CCC[C@@H](C#N)C1 ZINC000896503735 620018264 /nfs/dbraw/zinc/01/82/64/620018264.db2.gz MIAGDVZZCHXDST-ZFWWWQNUSA-N 1 1 260.356 3.382 20 30 CGEDMO CC(C)(C[N@@H+]1CCC[C@@H](C#N)C1)Oc1ccccc1 ZINC000896505584 620019175 /nfs/dbraw/zinc/01/91/75/620019175.db2.gz OJSHMBYQURMWRD-AWEZNQCLSA-N 1 1 258.365 3.080 20 30 CGEDMO CC(C)(C[N@H+]1CCC[C@@H](C#N)C1)Oc1ccccc1 ZINC000896505584 620019179 /nfs/dbraw/zinc/01/91/79/620019179.db2.gz OJSHMBYQURMWRD-AWEZNQCLSA-N 1 1 258.365 3.080 20 30 CGEDMO N#Cc1csc(C[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)c1 ZINC000896793597 620064209 /nfs/dbraw/zinc/06/42/09/620064209.db2.gz CLVCTORXJBOJMQ-HOTGVXAUSA-N 1 1 295.411 3.083 20 30 CGEDMO N#Cc1csc(C[N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)c1 ZINC000896793597 620064215 /nfs/dbraw/zinc/06/42/15/620064215.db2.gz CLVCTORXJBOJMQ-HOTGVXAUSA-N 1 1 295.411 3.083 20 30 CGEDMO Cc1cccc2c1[C@H](C)/C(=C/c1c[nH+]c(N(C)C)n1C)C2=O ZINC000840721055 620195167 /nfs/dbraw/zinc/19/51/67/620195167.db2.gz RJEDIYOHTYWFGR-CDCQXCROSA-N 1 1 295.386 3.178 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@]23C[C@@H]2CCCC3)CC1 ZINC000985633535 620223609 /nfs/dbraw/zinc/22/36/09/620223609.db2.gz RZWCKVQORFMZEE-YJBOKZPZSA-N 1 1 290.451 3.066 20 30 CGEDMO Cc1ccc2nc(C[NH2+][C@@H](C)CC(C)(C)C#N)[nH]c2c1 ZINC000925191968 620224746 /nfs/dbraw/zinc/22/47/46/620224746.db2.gz PPHRUQGSYAJIGN-LBPRGKRZSA-N 1 1 270.380 3.289 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)[C@H]2CCCC[C@@H]2CC)CC1 ZINC000985726205 620232550 /nfs/dbraw/zinc/23/25/50/620232550.db2.gz WXAPQDDMUPPYGM-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCCC(C)(C)C2)CC1 ZINC000985807185 620240792 /nfs/dbraw/zinc/24/07/92/620240792.db2.gz BVDPTULPAHPNQO-OAHLLOKOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)C2(C)CCC(C)CC2)CC1 ZINC000985809390 620241042 /nfs/dbraw/zinc/24/10/42/620241042.db2.gz ZYGZWICQSCDIBB-UHFFFAOYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)c2ccoc2C(C)C)CC1 ZINC000985815324 620242073 /nfs/dbraw/zinc/24/20/73/620242073.db2.gz OYKNWDZZUFHPPI-UHFFFAOYSA-N 1 1 290.407 3.125 20 30 CGEDMO N#Cc1ccc(CO[NH+]=C(N)C2CCC2)c(Cl)c1 ZINC000871765697 620265196 /nfs/dbraw/zinc/26/51/96/620265196.db2.gz IMKLHMVPFAAJAH-UHFFFAOYSA-N 1 1 263.728 3.010 20 30 CGEDMO COc1ccccc1OCC[N@@H+](C)CC#Cc1ccccc1 ZINC000191954196 620299934 /nfs/dbraw/zinc/29/99/34/620299934.db2.gz XOXIJXVWTNSPJN-UHFFFAOYSA-N 1 1 295.382 3.058 20 30 CGEDMO COC1(C[N@@H+](C)Cc2cc(C#N)cs2)CCCC1 ZINC000897625439 620412392 /nfs/dbraw/zinc/41/23/92/620412392.db2.gz IGBDHUZNTLCCOH-UHFFFAOYSA-N 1 1 264.394 3.011 20 30 CGEDMO CC(=O)Nc1ccccc1C[N@H+](C)Cc1cc(C#N)cs1 ZINC000897625934 620412805 /nfs/dbraw/zinc/41/28/05/620412805.db2.gz PQSPLCWPRJHGIU-UHFFFAOYSA-N 1 1 299.399 3.210 20 30 CGEDMO CC(=O)Nc1ccccc1C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000897625934 620412809 /nfs/dbraw/zinc/41/28/09/620412809.db2.gz PQSPLCWPRJHGIU-UHFFFAOYSA-N 1 1 299.399 3.210 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1ccccc1NC(C)=O ZINC000898245996 620497079 /nfs/dbraw/zinc/49/70/79/620497079.db2.gz LIEUNPRKQQKQSN-UHFFFAOYSA-N 1 1 260.381 3.433 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)C2CCC(C)(C)CC2)CC1 ZINC000989760989 620523458 /nfs/dbraw/zinc/52/34/58/620523458.db2.gz MZWPAZUXZBTBHE-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)c3cccs3)CCC[C@@H]12 ZINC000989925110 620532817 /nfs/dbraw/zinc/53/28/17/620532817.db2.gz GYFWBAVDCPOWNB-ZBFHGGJFSA-N 1 1 290.432 3.051 20 30 CGEDMO CC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(C#N)c1 ZINC000902753586 621425635 /nfs/dbraw/zinc/42/56/35/621425635.db2.gz QLICAXSXARVVTG-SQNIBIBYSA-N 1 1 283.419 3.226 20 30 CGEDMO CC[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(C#N)c1 ZINC000902753586 621425640 /nfs/dbraw/zinc/42/56/40/621425640.db2.gz QLICAXSXARVVTG-SQNIBIBYSA-N 1 1 283.419 3.226 20 30 CGEDMO CCC[N@@H+]1CC[C@H](CN[C@@H](CC)c2cccc(C#N)c2)C1 ZINC000902761550 621429516 /nfs/dbraw/zinc/42/95/16/621429516.db2.gz SJGMDLVAMZDDRB-AEFFLSMTSA-N 1 1 285.435 3.331 20 30 CGEDMO CCC[N@H+]1CC[C@H](CN[C@@H](CC)c2cccc(C#N)c2)C1 ZINC000902761550 621429523 /nfs/dbraw/zinc/42/95/23/621429523.db2.gz SJGMDLVAMZDDRB-AEFFLSMTSA-N 1 1 285.435 3.331 20 30 CGEDMO CCc1nc2c(s1)[C@@H]([NH2+]CC1(C#N)CCC1)CCC2 ZINC000903032376 621535168 /nfs/dbraw/zinc/53/51/68/621535168.db2.gz RNANQIXMCYEMTA-NSHDSACASA-N 1 1 275.421 3.366 20 30 CGEDMO N#CC1(C[NH2+][C@@H]2CCc3c2cc(F)cc3F)CCC1 ZINC000903032973 621536520 /nfs/dbraw/zinc/53/65/20/621536520.db2.gz NSFVASUWPFTASU-CQSZACIVSA-N 1 1 262.303 3.236 20 30 CGEDMO COC(=O)c1csc([C@@H](C)[NH2+]CC2(C#N)CCCC2)c1 ZINC000903108573 621581145 /nfs/dbraw/zinc/58/11/45/621581145.db2.gz DLELVYXIIUWUPD-LLVKDONJSA-N 1 1 292.404 3.269 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CCCC1)c1ccccc1N(C)C ZINC000903109001 621582918 /nfs/dbraw/zinc/58/29/18/621582918.db2.gz KAXKGWNLQIGDAL-AWEZNQCLSA-N 1 1 271.408 3.487 20 30 CGEDMO N#CCCc1ccc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000903297803 621665158 /nfs/dbraw/zinc/66/51/58/621665158.db2.gz KLSXOKQERWJKGL-IRXDYDNUSA-N 1 1 269.392 3.181 20 30 CGEDMO CC[N@H+]1CC[C@H](Nc2ccc(CCC#N)cc2)[C@H](C)C1 ZINC000903298565 621666853 /nfs/dbraw/zinc/66/68/53/621666853.db2.gz XCTSENKFGPYDHN-PBHICJAKSA-N 1 1 271.408 3.285 20 30 CGEDMO C[C@@H]([NH2+][C@H](C)c1cc(C#N)ccn1)c1ccc([N+](=O)[O-])cc1 ZINC000903286568 621669997 /nfs/dbraw/zinc/66/99/97/621669997.db2.gz BGGGHSXCZYFYGF-VXGBXAGGSA-N 1 1 296.330 3.273 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000903446250 621758318 /nfs/dbraw/zinc/75/83/18/621758318.db2.gz UYOWCTUSNNCAKE-PKOBYXMFSA-N 1 1 297.446 3.139 20 30 CGEDMO C=C1CC(C)(c2noc(C[N@@H+](C)CC(C)(C)C)n2)C1 ZINC000904111068 621869437 /nfs/dbraw/zinc/86/94/37/621869437.db2.gz NDZLCHNHIJWTND-UHFFFAOYSA-N 1 1 263.385 3.155 20 30 CGEDMO C=C1CC(C)(c2noc(C[N@H+](C)CC(C)(C)C)n2)C1 ZINC000904111068 621869438 /nfs/dbraw/zinc/86/94/38/621869438.db2.gz NDZLCHNHIJWTND-UHFFFAOYSA-N 1 1 263.385 3.155 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(C2(COC)CCCCC2)no1 ZINC000904721285 621956306 /nfs/dbraw/zinc/95/63/06/621956306.db2.gz LJIFLBCQJSTQJI-CYBMUJFWSA-N 1 1 293.411 3.274 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccc(F)cc2F)no1 ZINC000904725090 621958864 /nfs/dbraw/zinc/95/88/64/621958864.db2.gz VXTRYOHPJOPIPC-LBPRGKRZSA-N 1 1 279.290 3.371 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCC2)[C@H]1C(C)C ZINC000905956571 622132645 /nfs/dbraw/zinc/13/26/45/622132645.db2.gz NALGGIYSXDUIAQ-PMPSAXMXSA-N 1 1 278.440 3.044 20 30 CGEDMO CCCCN1CCC([NH2+][C@@H](C)CC(C)(C)C#N)CC1 ZINC000924846088 622659452 /nfs/dbraw/zinc/65/94/52/622659452.db2.gz KJHJKMHGDQECQF-AWEZNQCLSA-N 1 1 265.445 3.169 20 30 CGEDMO CC[N@@H+](CCc1cccs1)Cc1cncc(C#N)c1 ZINC000929410058 623286344 /nfs/dbraw/zinc/28/63/44/623286344.db2.gz GVIIATFNXSRTDT-UHFFFAOYSA-N 1 1 271.389 3.079 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H](C)c3ccccc3)CCC[C@@H]12 ZINC000992429660 623555101 /nfs/dbraw/zinc/55/51/01/623555101.db2.gz MQVLUYWMXZJLSQ-KVSKMBFKSA-N 1 1 298.430 3.089 20 30 CGEDMO N#CCC[N@H+](CC1CC1)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000929775043 623626562 /nfs/dbraw/zinc/62/65/62/623626562.db2.gz HMHBIWPIPDTXMR-STQMWFEESA-N 1 1 290.329 3.112 20 30 CGEDMO N#CCC[N@@H+](CC1CC1)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000929775043 623626564 /nfs/dbraw/zinc/62/65/64/623626564.db2.gz HMHBIWPIPDTXMR-STQMWFEESA-N 1 1 290.329 3.112 20 30 CGEDMO COc1cccc2cc([C@H](C)[NH2+]CC3(C#N)CC3)oc21 ZINC000754597014 623890684 /nfs/dbraw/zinc/89/06/84/623890684.db2.gz LHGUUWMCPMFBIW-NSHDSACASA-N 1 1 270.332 3.396 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C(C)=C2CCC2)[C@H]1C ZINC000993305425 624004056 /nfs/dbraw/zinc/00/40/56/624004056.db2.gz DPNNTPLKAZYVMF-ZBFHGGJFSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C(C)=C2CCC2)[C@H]1C ZINC000993312497 624010737 /nfs/dbraw/zinc/01/07/37/624010737.db2.gz NGDSFAXJZHXNCS-ZBFHGGJFSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C2CCC2)[C@@H]1C ZINC000993619673 624055570 /nfs/dbraw/zinc/05/55/70/624055570.db2.gz BUXCYLKFMDMAHD-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CC2CC(C)(C)C2)[C@@H]1C ZINC000993748086 624060671 /nfs/dbraw/zinc/06/06/71/624060671.db2.gz SXXBJHVPQNPAKD-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2occc2Cl)[C@@H]1C ZINC000993774480 624061882 /nfs/dbraw/zinc/06/18/82/624061882.db2.gz MIIUUIBWNXYQEH-WCQYABFASA-N 1 1 296.798 3.092 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C2CC3(CC3)C2)[C@@H]1C ZINC000993823578 624064025 /nfs/dbraw/zinc/06/40/25/624064025.db2.gz YTRRDXXCRUIJMY-HOCLYGCPSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2csc(C)c2)[C@H]1C ZINC000994014580 624067362 /nfs/dbraw/zinc/06/73/62/624067362.db2.gz ZTDAWYGIVNETJY-UKRRQHHQSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1cccc(Cl)c1)C(C)C ZINC000917069127 624233302 /nfs/dbraw/zinc/23/33/02/624233302.db2.gz IUTTVNSWOZMYEV-UHFFFAOYSA-N 1 1 266.772 3.175 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1cccc(Cl)c1)C(C)C ZINC000917069127 624233303 /nfs/dbraw/zinc/23/33/03/624233303.db2.gz IUTTVNSWOZMYEV-UHFFFAOYSA-N 1 1 266.772 3.175 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2CC)[C@@H]1C ZINC000994483813 624239689 /nfs/dbraw/zinc/23/96/89/624239689.db2.gz IFNZWHGXEBDEMV-GXTWGEPZSA-N 1 1 292.448 3.079 20 30 CGEDMO CC(C)CCC(N)=[NH+]OCCCCC(F)(F)F ZINC000154279623 624240711 /nfs/dbraw/zinc/24/07/11/624240711.db2.gz GYOMBJVKNYOBAE-UHFFFAOYSA-N 1 1 254.296 3.444 20 30 CGEDMO Cc1[nH]c(CSc2ccc(C)cc2C#N)c(C)[nH+]1 ZINC000918657652 624366397 /nfs/dbraw/zinc/36/63/97/624366397.db2.gz HEJGVVZAKMIECG-UHFFFAOYSA-N 1 1 257.362 3.499 20 30 CGEDMO C#CCOc1ccccc1C[N@H+](C)Cc1ccccc1F ZINC000920490291 624505501 /nfs/dbraw/zinc/50/55/01/624505501.db2.gz OGVVAWKWJWMBSB-UHFFFAOYSA-N 1 1 283.346 3.470 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+](C)Cc1ccccc1F ZINC000920490291 624505504 /nfs/dbraw/zinc/50/55/04/624505504.db2.gz OGVVAWKWJWMBSB-UHFFFAOYSA-N 1 1 283.346 3.470 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC2(C)C)CC1 ZINC000997973870 625777636 /nfs/dbraw/zinc/77/76/36/625777636.db2.gz BHMIFBZOCFACJX-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCC[C@H]2C)CC1 ZINC001001100518 625889389 /nfs/dbraw/zinc/88/93/89/625889389.db2.gz OTKQQHNJVWKZPE-NVXWUHKLSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[C@@H]2CC)CC1 ZINC001001117045 625890665 /nfs/dbraw/zinc/89/06/65/625890665.db2.gz SZVJWBMSELGNMT-IRXDYDNUSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[C@H]2CC)CC1 ZINC001001116423 625890672 /nfs/dbraw/zinc/89/06/72/625890672.db2.gz AGIPTSWIHNYBGW-SJORKVTESA-N 1 1 290.451 3.137 20 30 CGEDMO C[C@@H]([NH2+]Cc1cccc2c1OCC2)c1ccc(C#N)cc1F ZINC000921989555 625954601 /nfs/dbraw/zinc/95/46/01/625954601.db2.gz FWHCMXWIVXXBBB-GFCCVEGCSA-N 1 1 296.345 3.483 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001016375485 625976003 /nfs/dbraw/zinc/97/60/03/625976003.db2.gz XPYKTCHWYPKEJI-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)[NH2+]Cc1ccc(C#N)cc1 ZINC000067251526 625977057 /nfs/dbraw/zinc/97/70/57/625977057.db2.gz PQXMOOQYNMYPPW-BZUAXINKSA-N 1 1 285.435 3.014 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC001003575323 625983919 /nfs/dbraw/zinc/98/39/19/625983919.db2.gz XISLUQVICCJNAA-ZDUSSCGKSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H](C)C2CCCC2)CC1 ZINC001003941814 625998119 /nfs/dbraw/zinc/99/81/19/625998119.db2.gz FWVBSOZZGSQLIA-ZDUSSCGKSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CC[C@H](C)CC2)CC1 ZINC001004002736 626001256 /nfs/dbraw/zinc/00/12/56/626001256.db2.gz WAPZQBJPGQBJCQ-MQMHXKEQSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C2CCC2)CC1 ZINC001004319675 626037026 /nfs/dbraw/zinc/03/70/26/626037026.db2.gz PVZSOROKQMVAGU-KRWDZBQOSA-N 1 1 290.451 3.066 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@H+](C)Cc2ccoc2C)cc1 ZINC000929335457 626085116 /nfs/dbraw/zinc/08/51/16/626085116.db2.gz LBJREDXGDOKDFD-UHFFFAOYSA-N 1 1 296.370 3.030 20 30 CGEDMO CCC[N@@H+](C[C@H](O)CC#N)[C@H](CC)c1ccccc1 ZINC000929383931 626150396 /nfs/dbraw/zinc/15/03/96/626150396.db2.gz ZJVYEZHDDYBGNE-HZPDHXFCSA-N 1 1 260.381 3.124 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@H](C)C2)CC1 ZINC001006083783 626154702 /nfs/dbraw/zinc/15/47/02/626154702.db2.gz SQFFYYWYBSOHMC-GXTWGEPZSA-N 1 1 298.858 3.098 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCCCCCC1 ZINC000838783482 626253469 /nfs/dbraw/zinc/25/34/69/626253469.db2.gz JBTZORHADNIVII-UHFFFAOYSA-N 1 1 273.336 3.233 20 30 CGEDMO CCOC(=O)CC(C)(C)C[N@@H+](CCC#N)CC(C)(C)C ZINC000838818641 626258163 /nfs/dbraw/zinc/25/81/63/626258163.db2.gz CDUJZZDMVVEUHK-UHFFFAOYSA-N 1 1 282.428 3.228 20 30 CGEDMO C#CC[N@H+](CCCCCOC)Cc1ccc(F)cc1 ZINC000103227195 626268226 /nfs/dbraw/zinc/26/82/26/626268226.db2.gz CNCZSGGPOZLLQY-UHFFFAOYSA-N 1 1 263.356 3.078 20 30 CGEDMO CCCCCCCCC(=O)O[C@H]1C[C@@H]([NH+]2CCOCC2)C1 ZINC000838910646 626276779 /nfs/dbraw/zinc/27/67/79/626276779.db2.gz GTKVRORFRACIHK-IYBDPMFKSA-N 1 1 297.439 3.143 20 30 CGEDMO CC(C)(CC#N)C[NH2+]Cc1occc1Br ZINC000839163803 626330666 /nfs/dbraw/zinc/33/06/66/626330666.db2.gz QNEDKOIKHQQJDP-UHFFFAOYSA-N 1 1 271.158 3.072 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)CC1=NNC1CCCC1 ZINC000751525968 626394251 /nfs/dbraw/zinc/39/42/51/626394251.db2.gz KOLKFUOVKSLVHZ-CQSZACIVSA-N 1 1 271.408 3.027 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC1=NNC1CCCC1 ZINC000751525968 626394253 /nfs/dbraw/zinc/39/42/53/626394253.db2.gz KOLKFUOVKSLVHZ-CQSZACIVSA-N 1 1 271.408 3.027 20 30 CGEDMO C[C@@H]1CC(N=Nc2cc(C(F)(F)F)ccc2F)C[N@H+]1C ZINC000753946963 626469682 /nfs/dbraw/zinc/46/96/82/626469682.db2.gz MOELIRPXKCVURF-MRVPVSSYSA-N 1 1 289.276 3.336 20 30 CGEDMO C[C@H]1CC(N=Nc2ncccc2C(F)(F)F)C[N@H+]1C1CC1 ZINC000753956495 626470224 /nfs/dbraw/zinc/47/02/24/626470224.db2.gz UWYDMUOSGOSZBF-VIFPVBQESA-N 1 1 298.312 3.125 20 30 CGEDMO CCCCCCCCNC(=O)NC[C@H]1CCC[N@@H+](CC)C1 ZINC000754863307 626591147 /nfs/dbraw/zinc/59/11/47/626591147.db2.gz AZBPOTBFPJQIAN-MRXNPFEDSA-N 1 1 297.487 3.378 20 30 CGEDMO CC1(C)CC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000755066196 626598678 /nfs/dbraw/zinc/59/86/78/626598678.db2.gz NUQHDKNXJQHXEO-UHFFFAOYSA-N 1 1 279.181 3.305 20 30 CGEDMO CC1(C)CC[N@H+]1Cc1cc(C#N)ccc1Br ZINC000755066196 626598679 /nfs/dbraw/zinc/59/86/79/626598679.db2.gz NUQHDKNXJQHXEO-UHFFFAOYSA-N 1 1 279.181 3.305 20 30 CGEDMO CC(C)c1[nH+]c(CN=Nc2ccccn2)c2ccccn21 ZINC000755519333 626628151 /nfs/dbraw/zinc/62/81/51/626628151.db2.gz JGDCPODWLZXSLX-UHFFFAOYSA-N 1 1 279.347 3.299 20 30 CGEDMO C=CC[N@@H+](CC1CCCCC1)CN1C[C@H](CC)CC1=O ZINC000755921509 626660739 /nfs/dbraw/zinc/66/07/39/626660739.db2.gz IBGRJBUVCARUBA-OAHLLOKOSA-N 1 1 278.440 3.271 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@H](c1ccccc1)C(C)C ZINC000756542332 626713963 /nfs/dbraw/zinc/71/39/63/626713963.db2.gz LFLQPDDNGVXTLN-ROUUACIJSA-N 1 1 299.414 3.067 20 30 CGEDMO C#CC[N@@H+](CC(=O)Nc1cc(C)cc(C)c1)C1CCCC1 ZINC000756911366 626741118 /nfs/dbraw/zinc/74/11/18/626741118.db2.gz KSLQRECUGKVBKR-UHFFFAOYSA-N 1 1 284.403 3.120 20 30 CGEDMO C#CC[N@H+](CC(=O)Nc1cc(C)cc(C)c1)C1CCCC1 ZINC000756911366 626741122 /nfs/dbraw/zinc/74/11/22/626741122.db2.gz KSLQRECUGKVBKR-UHFFFAOYSA-N 1 1 284.403 3.120 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CC[C@H](CC(C)(C)C)C1(C)C ZINC000839667747 626773799 /nfs/dbraw/zinc/77/37/99/626773799.db2.gz ZAXOHLUBYNJFEW-ZIAGYGMSSA-N 1 1 266.429 3.452 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC000839676458 626776826 /nfs/dbraw/zinc/77/68/26/626776826.db2.gz NZNFRZYGMGQJRP-MRXNPFEDSA-N 1 1 280.412 3.038 20 30 CGEDMO C#CCOc1ccccc1CNc1[nH]c2ccccc2[nH+]1 ZINC000762532878 627114557 /nfs/dbraw/zinc/11/45/57/627114557.db2.gz HIALBKYNUMWDIH-UHFFFAOYSA-N 1 1 277.327 3.187 20 30 CGEDMO CC(C)c1[nH+]c(/C=C/C(=O)c2cnccn2)c2ccccn21 ZINC000762605068 627116947 /nfs/dbraw/zinc/11/69/47/627116947.db2.gz TUROSNLJNCAXGG-VOTSOKGWSA-N 1 1 292.342 3.144 20 30 CGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CC[C@H]2c2cccc(F)c2)cc1 ZINC000763413269 627157085 /nfs/dbraw/zinc/15/70/85/627157085.db2.gz IVEMVQHRCSOJEY-ROUUACIJSA-N 1 1 296.345 3.178 20 30 CGEDMO C#CC[N@@H+](CCCSCc1ccccc1)C1CC1 ZINC000763945529 627186703 /nfs/dbraw/zinc/18/67/03/627186703.db2.gz YZYOVGXQDCTYQG-UHFFFAOYSA-N 1 1 259.418 3.408 20 30 CGEDMO C#CC[N@H+](Cc1cc(Br)cc(C)c1O)C1CC1 ZINC000764676340 627217882 /nfs/dbraw/zinc/21/78/82/627217882.db2.gz JYZPVONOCAQCJQ-UHFFFAOYSA-N 1 1 294.192 3.061 20 30 CGEDMO C#CC[N@H+](Cc1ccc(N(CC)CC)cc1)C1CC1 ZINC000764682670 627218233 /nfs/dbraw/zinc/21/82/33/627218233.db2.gz KWOJRJAXYZTBOW-UHFFFAOYSA-N 1 1 256.393 3.130 20 30 CGEDMO C#CC[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000764684295 627218669 /nfs/dbraw/zinc/21/86/69/627218669.db2.gz WUONAHVSNMBOFL-UHFFFAOYSA-N 1 1 296.326 3.452 20 30 CGEDMO CCN(C)c1ccc(C(C)=[NH+]OCC(F)(F)F)cc1 ZINC000764843943 627229019 /nfs/dbraw/zinc/22/90/19/627229019.db2.gz COBSXMQTPHJDPO-UHFFFAOYSA-N 1 1 274.286 3.446 20 30 CGEDMO N#Cc1ccc(N2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000765587241 627260913 /nfs/dbraw/zinc/26/09/13/627260913.db2.gz RKBGVQKLVVFVOO-UHFFFAOYSA-N 1 1 295.361 3.020 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cn1ccc(=S)c2ccccc21 ZINC000766661346 627351015 /nfs/dbraw/zinc/35/10/15/627351015.db2.gz BOROHAUYTIGYBT-LBPRGKRZSA-N 1 1 256.374 3.282 20 30 CGEDMO C#CCCC[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000766896311 627368304 /nfs/dbraw/zinc/36/83/04/627368304.db2.gz ZNSGIPUAHJZIER-UHFFFAOYSA-N 1 1 258.409 3.376 20 30 CGEDMO C#CCCC[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC000766941263 627371982 /nfs/dbraw/zinc/37/19/82/627371982.db2.gz WEKSXFJKCRVUQI-GJZGRUSLSA-N 1 1 294.439 3.025 20 30 CGEDMO CC(C)C[N@@H+](CCC(=O)C1CC1)Cc1ccc(C#N)cc1 ZINC000767353080 627400286 /nfs/dbraw/zinc/40/02/86/627400286.db2.gz PAKIXOAUYAPBCH-UHFFFAOYSA-N 1 1 284.403 3.385 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767876636 627441045 /nfs/dbraw/zinc/44/10/45/627441045.db2.gz LHJBIKGEHHMQIE-LBPRGKRZSA-N 1 1 253.267 3.128 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cccc2ccsc21 ZINC000767974116 627447262 /nfs/dbraw/zinc/44/72/62/627447262.db2.gz QUGLDQSVMQNVEZ-CQSZACIVSA-N 1 1 299.395 3.156 20 30 CGEDMO CC(C)C[N@H+](CCC#N)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000768153555 627463621 /nfs/dbraw/zinc/46/36/21/627463621.db2.gz HQRSTIPENTUPHX-OAHLLOKOSA-N 1 1 285.391 3.349 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000768153555 627463622 /nfs/dbraw/zinc/46/36/22/627463622.db2.gz HQRSTIPENTUPHX-OAHLLOKOSA-N 1 1 285.391 3.349 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)Cc1cc(Cl)ccc1O ZINC000768153806 627463679 /nfs/dbraw/zinc/46/36/79/627463679.db2.gz KRRNUEMNKLDQTR-UHFFFAOYSA-N 1 1 266.772 3.417 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2C[C@H](C)OC[C@H]2CC)cc1 ZINC000768172458 627465884 /nfs/dbraw/zinc/46/58/84/627465884.db2.gz PSCWJSNANOMQSW-DOTOQJQBSA-N 1 1 287.403 3.088 20 30 CGEDMO CCCCCCCCC(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000768845889 627503250 /nfs/dbraw/zinc/50/32/50/627503250.db2.gz JCRLFFKQXQKRHN-LSDHHAIUSA-N 1 1 268.445 3.288 20 30 CGEDMO Cc1c(C[N@@H+](C)C[C@H](C)C#N)sc2nc(C)nc(C)c12 ZINC000768877531 627505342 /nfs/dbraw/zinc/50/53/42/627505342.db2.gz MEPCZQOGUNRGJW-SECBINFHSA-N 1 1 288.420 3.208 20 30 CGEDMO Cc1c(C[N@H+](C)C[C@H](C)C#N)sc2nc(C)nc(C)c12 ZINC000768877531 627505345 /nfs/dbraw/zinc/50/53/45/627505345.db2.gz MEPCZQOGUNRGJW-SECBINFHSA-N 1 1 288.420 3.208 20 30 CGEDMO C#CC[N@H+](Cc1ccc(F)cc1)Cc1c(O)cccc1OC ZINC000769145154 627526097 /nfs/dbraw/zinc/52/60/97/627526097.db2.gz CVPOCUPCWMURNL-UHFFFAOYSA-N 1 1 299.345 3.175 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1c(O)cccc1OC ZINC000769145154 627526101 /nfs/dbraw/zinc/52/61/01/627526101.db2.gz CVPOCUPCWMURNL-UHFFFAOYSA-N 1 1 299.345 3.175 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CC=C(C)CC2)cc1 ZINC000769445078 627552840 /nfs/dbraw/zinc/55/28/40/627552840.db2.gz DOCZFQNJLYPBLU-UHFFFAOYSA-N 1 1 255.361 3.241 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2C[C@H](C)C[C@@H]2C)cc1 ZINC000769470657 627557181 /nfs/dbraw/zinc/55/71/81/627557181.db2.gz NENZYNZUMBLKIF-RDBSUJKOSA-N 1 1 258.365 3.208 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1cc(Cl)ccc1OC(F)F ZINC000769962153 627592081 /nfs/dbraw/zinc/59/20/81/627592081.db2.gz RYDGFIPMOYUCDD-VIFPVBQESA-N 1 1 273.710 3.395 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1cc(Cl)ccc1OC(F)F ZINC000769962153 627592083 /nfs/dbraw/zinc/59/20/83/627592083.db2.gz RYDGFIPMOYUCDD-VIFPVBQESA-N 1 1 273.710 3.395 20 30 CGEDMO CCCCCCCCCC[N@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000770195932 627607908 /nfs/dbraw/zinc/60/79/08/627607908.db2.gz UJJYYWBOPOVPLG-IRXDYDNUSA-N 1 1 282.472 3.142 20 30 CGEDMO CC(C)[C@H]1CC[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000770307253 627612685 /nfs/dbraw/zinc/61/26/85/627612685.db2.gz QTRAQMXAXYIGAD-ZBFHGGJFSA-N 1 1 272.392 3.455 20 30 CGEDMO C=CC[N@H+](Cn1ccc(-c2ccccc2)n1)C1CC1 ZINC000771639585 627724716 /nfs/dbraw/zinc/72/47/16/627724716.db2.gz BLIDORYGBYFEID-UHFFFAOYSA-N 1 1 253.349 3.158 20 30 CGEDMO C=CC[N@@H+](Cn1ccc(-c2ccccc2)n1)C1CC1 ZINC000771639585 627724720 /nfs/dbraw/zinc/72/47/20/627724720.db2.gz BLIDORYGBYFEID-UHFFFAOYSA-N 1 1 253.349 3.158 20 30 CGEDMO C#CCOc1ccccc1C[NH2+][C@@H](C)c1cncc(F)c1 ZINC000772987542 627837921 /nfs/dbraw/zinc/83/79/21/627837921.db2.gz KFTABHKDWPEQJG-ZDUSSCGKSA-N 1 1 284.334 3.084 20 30 CGEDMO C[C@H]1CC(=NN[C@@H]2CCCCC2(C)C)CC[N@H+]1C ZINC000773125493 627859490 /nfs/dbraw/zinc/85/94/90/627859490.db2.gz PIRRLEHNXJRHGA-GXTWGEPZSA-N 1 1 251.418 3.015 20 30 CGEDMO CC[N@@H+](CCc1ccccn1)Cc1cccc(C#N)c1F ZINC000774664795 628013670 /nfs/dbraw/zinc/01/36/70/628013670.db2.gz UWYOJHFIPIZOMI-UHFFFAOYSA-N 1 1 283.350 3.157 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000774767543 628025362 /nfs/dbraw/zinc/02/53/62/628025362.db2.gz PUPHYFUJSWNRSF-USXIJHARSA-N 1 1 291.439 3.053 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(-c2ccccc2C(=O)OC)o1 ZINC000775183553 628070642 /nfs/dbraw/zinc/07/06/42/628070642.db2.gz ONEGJVSWLMPDAQ-CYBMUJFWSA-N 1 1 297.354 3.187 20 30 CGEDMO N#CC1(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)CC1 ZINC000775977259 628154939 /nfs/dbraw/zinc/15/49/39/628154939.db2.gz YMTHAFXPNMNICW-HUUCEWRRSA-N 1 1 288.391 3.251 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776583861 628221174 /nfs/dbraw/zinc/22/11/74/628221174.db2.gz GMTMZVVTDWRVOL-INIZCTEOSA-N 1 1 292.379 3.306 20 30 CGEDMO Cc1cc2ccccc2nc1N=NC1C[C@@H](C)[N@H+](C)C1 ZINC000776782860 628231762 /nfs/dbraw/zinc/23/17/62/628231762.db2.gz LZDFCHMQYRSEJH-GFCCVEGCSA-N 1 1 268.364 3.035 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1c(O)c(C(=O)OC)cc2ccccc21 ZINC000777964781 628316652 /nfs/dbraw/zinc/31/66/52/628316652.db2.gz SCJHGNIZMZRFKB-UHFFFAOYSA-N 1 1 299.370 3.340 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000778982003 628381175 /nfs/dbraw/zinc/38/11/75/628381175.db2.gz IPBHMGYTXHKINQ-RRFJBIMHSA-N 1 1 294.439 3.023 20 30 CGEDMO CC(=NNCC(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779782077 628429733 /nfs/dbraw/zinc/42/97/33/628429733.db2.gz CZMPXKARZXQORV-QGZVFWFLSA-N 1 1 273.424 3.130 20 30 CGEDMO CC(=[NH+][N-]c1cc[nH+]cc1)c1cc(Cl)c(N)c(Cl)c1 ZINC000779806765 628432868 /nfs/dbraw/zinc/43/28/68/628432868.db2.gz GLHXAYVCRNZWRX-UHFFFAOYSA-N 1 1 295.173 3.229 20 30 CGEDMO Clc1cccc(Cl)c1C=NNc1cc[nH+]cc1 ZINC000779809236 628433339 /nfs/dbraw/zinc/43/33/39/628433339.db2.gz VHLTXAZDJGJKGC-UHFFFAOYSA-N 1 1 266.131 3.256 20 30 CGEDMO Clc1ccc(Cl)c(C=NNc2cc[nH+]cc2)c1 ZINC000779810052 628433952 /nfs/dbraw/zinc/43/39/52/628433952.db2.gz YKRZWZRLNQAQQQ-UHFFFAOYSA-N 1 1 266.131 3.256 20 30 CGEDMO C#CCCCCCC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000780399266 628486850 /nfs/dbraw/zinc/48/68/50/628486850.db2.gz TVXZFPMEFHTOSX-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C[C@@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000781577909 628574221 /nfs/dbraw/zinc/57/42/21/628574221.db2.gz CDEKLUHQZKYMOI-ZBFHGGJFSA-N 1 1 273.376 3.159 20 30 CGEDMO C=C[C@@H](C)OC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000781577909 628574225 /nfs/dbraw/zinc/57/42/25/628574225.db2.gz CDEKLUHQZKYMOI-ZBFHGGJFSA-N 1 1 273.376 3.159 20 30 CGEDMO C#CC[N@@H+](CCOC1CCC1)[C@@H]1CCc2ccccc21 ZINC000805735729 628664755 /nfs/dbraw/zinc/66/47/55/628664755.db2.gz MICSSDMFBFYOEY-GOSISDBHSA-N 1 1 269.388 3.178 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)CCc1cc(Cl)ccc1Cl ZINC000785832913 628890726 /nfs/dbraw/zinc/89/07/26/628890726.db2.gz JWQTUUZEANVJPR-SNVBAGLBSA-N 1 1 256.176 3.489 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1ccc(Br)s1 ZINC000787997005 629038153 /nfs/dbraw/zinc/03/81/53/629038153.db2.gz FHBUIHOYWNXAGL-UHFFFAOYSA-N 1 1 272.211 3.354 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1cc(Br)ccc1OC ZINC000788000814 629039078 /nfs/dbraw/zinc/03/90/78/629039078.db2.gz VLPXDJAIGGCCJX-UHFFFAOYSA-N 1 1 296.208 3.301 20 30 CGEDMO N#CCC1(C[NH2+][C@@H]2COCc3cccc(Cl)c32)CC1 ZINC000788798658 629082882 /nfs/dbraw/zinc/08/28/82/629082882.db2.gz AJNAFBZCPQRCBP-CYBMUJFWSA-N 1 1 276.767 3.195 20 30 CGEDMO C#CC[N@H+](C[C@@H]1CC[C@H](C)O1)[C@H]1CCc2ccccc21 ZINC000789308721 629122782 /nfs/dbraw/zinc/12/27/82/629122782.db2.gz AZCAEARBAGOVHQ-ZVZYQTTQSA-N 1 1 269.388 3.177 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)C[C@H]2CCC[C@@H](C)C2)n1 ZINC000789325333 629123944 /nfs/dbraw/zinc/12/39/44/629123944.db2.gz CMRGYESJYMTDPP-CVEARBPZSA-N 1 1 273.424 3.165 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)Cc2cccc(CC)c2)n1 ZINC000789325647 629124873 /nfs/dbraw/zinc/12/48/73/629124873.db2.gz HGDBNDQUIWPPOZ-UHFFFAOYSA-N 1 1 281.403 3.101 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)Cc2cccc(CC)c2)n1 ZINC000789325647 629124875 /nfs/dbraw/zinc/12/48/75/629124875.db2.gz HGDBNDQUIWPPOZ-UHFFFAOYSA-N 1 1 281.403 3.101 20 30 CGEDMO C=CC[N@H+](C(C)C)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000790266890 629198582 /nfs/dbraw/zinc/19/85/82/629198582.db2.gz RHVZSCNLKVGTGL-QGZVFWFLSA-N 1 1 286.419 3.074 20 30 CGEDMO CCCCCCCC[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000791589889 629291327 /nfs/dbraw/zinc/29/13/27/629291327.db2.gz JKEHZHRXMCVYSG-HZPDHXFCSA-N 1 1 269.429 3.227 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccccc1 ZINC000791645967 629293906 /nfs/dbraw/zinc/29/39/06/629293906.db2.gz KMFXGBFUFMIQQX-MRXNPFEDSA-N 1 1 273.376 3.160 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1C(=O)OCc1ccccc1 ZINC000791645967 629293911 /nfs/dbraw/zinc/29/39/11/629293911.db2.gz KMFXGBFUFMIQQX-MRXNPFEDSA-N 1 1 273.376 3.160 20 30 CGEDMO CCCCCCCNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000875764890 634730047 /nfs/dbraw/zinc/73/00/47/634730047.db2.gz UVJJKYPVRUSHSW-HZPDHXFCSA-N 1 1 295.471 3.083 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2c(Cl)nc(Cl)n2C)C1 ZINC000862439797 629373016 /nfs/dbraw/zinc/37/30/16/629373016.db2.gz BOHVXUQQEKECSA-VIFPVBQESA-N 1 1 274.195 3.125 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2c(Cl)nc(Cl)n2C)C1 ZINC000862439797 629373018 /nfs/dbraw/zinc/37/30/18/629373018.db2.gz BOHVXUQQEKECSA-VIFPVBQESA-N 1 1 274.195 3.125 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000862440731 629373542 /nfs/dbraw/zinc/37/35/42/629373542.db2.gz KSGFYXMZZMRESO-GJZGRUSLSA-N 1 1 270.376 3.375 20 30 CGEDMO C#CC[C@H]1CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000862444642 629377562 /nfs/dbraw/zinc/37/75/62/629377562.db2.gz DYUHGKROAIEYKE-LTBFUDJGSA-N 1 1 284.359 3.343 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000862445071 629377693 /nfs/dbraw/zinc/37/76/93/629377693.db2.gz LFTKLFIUEYKZMQ-ZDUSSCGKSA-N 1 1 268.335 3.219 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2sccc2Br)C1 ZINC000862445243 629377734 /nfs/dbraw/zinc/37/77/34/629377734.db2.gz OWPBFHUCAUPDSW-SNVBAGLBSA-N 1 1 284.222 3.356 20 30 CGEDMO C#CC[C@H]1CC[N@H+](C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000862445218 629377997 /nfs/dbraw/zinc/37/79/97/629377997.db2.gz OMGDOUSUVLIRPN-CABCVRRESA-N 1 1 257.377 3.144 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2nc3cc(Cl)ccc3n2C)C1 ZINC000862444881 629378056 /nfs/dbraw/zinc/37/80/56/629378056.db2.gz HXZLSTGQQJPAQG-LBPRGKRZSA-N 1 1 287.794 3.072 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cc3cc(OC)ccc3o2)C1 ZINC000862445609 629379561 /nfs/dbraw/zinc/37/95/61/629379561.db2.gz XYQVGYQQOPSOOC-ZDUSSCGKSA-N 1 1 269.344 3.287 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cccc(F)c2Br)C1 ZINC000862447126 629379724 /nfs/dbraw/zinc/37/97/24/629379724.db2.gz IZKUCFJAYKHAOC-LLVKDONJSA-N 1 1 296.183 3.433 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cccc(F)c2Br)C1 ZINC000862447131 629380204 /nfs/dbraw/zinc/38/02/04/629380204.db2.gz IZKUCFJAYKHAOC-NSHDSACASA-N 1 1 296.183 3.433 20 30 CGEDMO CCOCCC[N@H+]1CCC(=NOC[C@H](C)CC)[C@@H](C)C1 ZINC000793163991 629420498 /nfs/dbraw/zinc/42/04/98/629420498.db2.gz OXYLKMFDYFIBAL-CABCVRRESA-N 1 1 284.444 3.174 20 30 CGEDMO CC(C[C@@H](C)CCNC(=O)OC(C)(C)C)=[NH+]n1cccn1 ZINC000863163811 629486767 /nfs/dbraw/zinc/48/67/67/629486767.db2.gz PTRJQCATGTUTOE-LBPRGKRZSA-N 1 1 294.399 3.048 20 30 CGEDMO C=CC1CC[NH+](CN2C[C@@H](c3ccccc3)OC2=O)CC1 ZINC000863258593 629514679 /nfs/dbraw/zinc/51/46/79/629514679.db2.gz FTTJJZBBONPRDB-INIZCTEOSA-N 1 1 286.375 3.035 20 30 CGEDMO C#CC[N@@H+](Cc1cccc(F)c1C#N)C1CCCCC1 ZINC000794307272 629532273 /nfs/dbraw/zinc/53/22/73/629532273.db2.gz ZKZMZBFMBBPVMM-UHFFFAOYSA-N 1 1 270.351 3.465 20 30 CGEDMO C#CC[N@H+](Cc1cccc(F)c1C#N)C1CCCCC1 ZINC000794307272 629532276 /nfs/dbraw/zinc/53/22/76/629532276.db2.gz ZKZMZBFMBBPVMM-UHFFFAOYSA-N 1 1 270.351 3.465 20 30 CGEDMO N#CCc1ccc(CO[NH+]=C(N)CCC(F)(F)F)cc1 ZINC000863490184 629589071 /nfs/dbraw/zinc/58/90/71/629589071.db2.gz IWXVTDIBUAALCL-UHFFFAOYSA-N 1 1 285.269 3.094 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC1N=Nc1ncccc1F ZINC000794986090 629614304 /nfs/dbraw/zinc/61/43/04/629614304.db2.gz YMKVSOLVZYUSOV-CYBMUJFWSA-N 1 1 298.365 3.141 20 30 CGEDMO C=CCNN=C1CCCC[C@H]1[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000794999820 629617813 /nfs/dbraw/zinc/61/78/13/629617813.db2.gz QDHNJOUQCZFIHR-IJEWVQPXSA-N 1 1 263.429 3.039 20 30 CGEDMO C=CCC(C)(C)c1noc([C@@H]([NH3+])CCC(C)C)n1 ZINC000863675099 629642633 /nfs/dbraw/zinc/64/26/33/629642633.db2.gz OOCNWQHXXVXDJO-NSHDSACASA-N 1 1 251.374 3.359 20 30 CGEDMO C#CCC[N@@H+]1C[C@H](C)CC[C@H]1c1ccccc1OC ZINC000796246134 629757214 /nfs/dbraw/zinc/75/72/14/629757214.db2.gz INHBRQBZFQFQBL-ZBFHGGJFSA-N 1 1 257.377 3.492 20 30 CGEDMO C#CCC[N@@H+]1C[C@@H](C)CC[C@@H]1c1ccccc1OC ZINC000796246129 629757273 /nfs/dbraw/zinc/75/72/73/629757273.db2.gz INHBRQBZFQFQBL-GOEBONIOSA-N 1 1 257.377 3.492 20 30 CGEDMO C=CCC(C)(C)C(=O)OCCCCn1cc[nH+]c1C ZINC000796473254 629787371 /nfs/dbraw/zinc/78/73/71/629787371.db2.gz GSSIWGBEFFZZSQ-UHFFFAOYSA-N 1 1 264.369 3.117 20 30 CGEDMO Cc1ccncc1C[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC000796507990 629791486 /nfs/dbraw/zinc/79/14/86/629791486.db2.gz SXHAEALWDFYIRL-UHFFFAOYSA-N 1 1 295.386 3.163 20 30 CGEDMO CCCCCCC[N@H+]1CCCC[C@@H]1CCC(=O)NC ZINC000796587461 629803153 /nfs/dbraw/zinc/80/31/53/629803153.db2.gz HMDUGTJQJWIBMQ-OAHLLOKOSA-N 1 1 268.445 3.338 20 30 CGEDMO COc1ccc(O)c(/C=N/C[C@@H]2c3ccccc3C[N@H+]2C)c1 ZINC000864348390 629817114 /nfs/dbraw/zinc/81/71/14/629817114.db2.gz KOQYFMTZLMGGQH-OXNWSPOFSA-N 1 1 296.370 3.006 20 30 CGEDMO COc1ccc(O)c(/C=N/C[C@@H]2c3ccccc3C[N@@H+]2C)c1 ZINC000864348390 629817116 /nfs/dbraw/zinc/81/71/16/629817116.db2.gz KOQYFMTZLMGGQH-OXNWSPOFSA-N 1 1 296.370 3.006 20 30 CGEDMO COc1cccc(O)c1/C=N/C[C@H]1c2ccccc2C[N@H+]1C ZINC000864349210 629817277 /nfs/dbraw/zinc/81/72/77/629817277.db2.gz USEXXAKJHJJXLO-JJLFXSABSA-N 1 1 296.370 3.006 20 30 CGEDMO COc1cccc(O)c1/C=N/C[C@H]1c2ccccc2C[N@@H+]1C ZINC000864349210 629817279 /nfs/dbraw/zinc/81/72/79/629817279.db2.gz USEXXAKJHJJXLO-JJLFXSABSA-N 1 1 296.370 3.006 20 30 CGEDMO C=C(CC)Cn1cc(C[NH2+][C@H]2CCCc3ccccc32)nn1 ZINC000864628507 629880965 /nfs/dbraw/zinc/88/09/65/629880965.db2.gz VPFNPVACVKUTTR-SFHVURJKSA-N 1 1 296.418 3.412 20 30 CGEDMO CCCNN=C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000797787162 629982409 /nfs/dbraw/zinc/98/24/09/629982409.db2.gz FBYCYXPJCNPUOA-UHFFFAOYSA-N 1 1 273.424 3.417 20 30 CGEDMO N#Cc1csc(C[N@H+]2CC[C@@H](c3ccccn3)C2)c1 ZINC000798963057 630129759 /nfs/dbraw/zinc/12/97/59/630129759.db2.gz WGNYHGURKQRIIE-CYBMUJFWSA-N 1 1 269.373 3.004 20 30 CGEDMO CC(=[NH+]N[C@H](C)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000799109304 630143411 /nfs/dbraw/zinc/14/34/11/630143411.db2.gz AHIOKVAEUFMHQO-LLVKDONJSA-N 1 1 298.346 3.252 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@H](c3ccccn3)C2)ccc1F ZINC000799189851 630155744 /nfs/dbraw/zinc/15/57/44/630155744.db2.gz HSRCCWABWMMAEA-AWEZNQCLSA-N 1 1 281.334 3.082 20 30 CGEDMO CC(C)(C)c1csc(C[NH2+]CC2(CC#N)CC2)n1 ZINC000865550796 630183773 /nfs/dbraw/zinc/18/37/73/630183773.db2.gz KAKMPAQONZZJQT-UHFFFAOYSA-N 1 1 263.410 3.224 20 30 CGEDMO COc1cccc(C[NH2+]Cc2cc(C#N)ccc2F)c1F ZINC000800243779 630256034 /nfs/dbraw/zinc/25/60/34/630256034.db2.gz ZDVXDKYXLAIUNG-UHFFFAOYSA-N 1 1 288.297 3.135 20 30 CGEDMO C[C@H](c1cc2ccccc2o1)[N@H+](C)CCO[C@@H](C)C#N ZINC000801909145 630364061 /nfs/dbraw/zinc/36/40/61/630364061.db2.gz HFJGOEZTSVKFIT-QWHCGFSZSA-N 1 1 272.348 3.354 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000801912860 630365263 /nfs/dbraw/zinc/36/52/63/630365263.db2.gz GZUDLTKBLCCHDK-NVXWUHKLSA-N 1 1 272.392 3.012 20 30 CGEDMO CC(C)C[N@@H+](CCO[C@@H](C)C#N)Cc1ccccc1F ZINC000801915234 630365504 /nfs/dbraw/zinc/36/55/04/630365504.db2.gz LMAKCIMPSWPSFP-AWEZNQCLSA-N 1 1 278.371 3.212 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000801921199 630366325 /nfs/dbraw/zinc/36/63/25/630366325.db2.gz ZLBGADALDPEMRI-GXTWGEPZSA-N 1 1 278.783 3.058 20 30 CGEDMO Cc1ccc(C[N@H+](CCO[C@@H](C)C#N)C2CC2)cc1C ZINC000801922143 630366927 /nfs/dbraw/zinc/36/69/27/630366927.db2.gz GNCCJJPNJLCIJA-HNNXBMFYSA-N 1 1 272.392 3.197 20 30 CGEDMO CC(C)[C@H]1c2ccccc2CC[N@@H+]1CCO[C@H](C)C#N ZINC000801928425 630368761 /nfs/dbraw/zinc/36/87/61/630368761.db2.gz BEVAUHCBSKWENH-PBHICJAKSA-N 1 1 272.392 3.170 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000801931075 630369399 /nfs/dbraw/zinc/36/93/99/630369399.db2.gz OOYPXZJBJVUYJF-KGLIPLIRSA-N 1 1 258.365 3.141 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000801954450 630373430 /nfs/dbraw/zinc/37/34/30/630373430.db2.gz HZCIJTDHLQEPCG-OWLYRPNTSA-N 1 1 284.403 3.326 20 30 CGEDMO C=CCCCCCC[NH2+][C@H]1CCN(CC)C[C@@H]1C ZINC000806167638 630550748 /nfs/dbraw/zinc/55/07/48/630550748.db2.gz CNPWOEGLMKZLMG-HOTGVXAUSA-N 1 1 252.446 3.443 20 30 CGEDMO C#CC[N@H+](C[C@@H](O)C(C)(C)C)[C@H]1CCc2ccccc21 ZINC000808711837 630668842 /nfs/dbraw/zinc/66/88/42/630668842.db2.gz UABUXRAMUUJNGZ-DLBZAZTESA-N 1 1 271.404 3.016 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc1 ZINC000809594903 630756641 /nfs/dbraw/zinc/75/66/41/630756641.db2.gz CMGBSQRARJHJGZ-UYAOXDASSA-N 1 1 294.442 3.117 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc1 ZINC000809594903 630756644 /nfs/dbraw/zinc/75/66/44/630756644.db2.gz CMGBSQRARJHJGZ-UYAOXDASSA-N 1 1 294.442 3.117 20 30 CGEDMO C#Cc1ccc(CNCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000809608706 630761323 /nfs/dbraw/zinc/76/13/23/630761323.db2.gz QKQOXXAZRKUILV-MRXNPFEDSA-N 1 1 284.447 3.268 20 30 CGEDMO C#Cc1ccc(CNCC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000809608706 630761328 /nfs/dbraw/zinc/76/13/28/630761328.db2.gz QKQOXXAZRKUILV-MRXNPFEDSA-N 1 1 284.447 3.268 20 30 CGEDMO C#Cc1ccc(CNCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000809617702 630763229 /nfs/dbraw/zinc/76/32/29/630763229.db2.gz UJPZZBWBNVDCII-HOTGVXAUSA-N 1 1 270.420 3.020 20 30 CGEDMO C#Cc1ccc(C[NH2+]Cc2nc(C(F)(F)F)cs2)cc1 ZINC000809622800 630765244 /nfs/dbraw/zinc/76/52/44/630765244.db2.gz KVIKBHIVHFDLOI-UHFFFAOYSA-N 1 1 296.317 3.433 20 30 CGEDMO C#Cc1ccc(CNCC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000809639425 630771984 /nfs/dbraw/zinc/77/19/84/630771984.db2.gz UPODKEAXDAIVIU-INIZCTEOSA-N 1 1 270.420 3.022 20 30 CGEDMO C#C[C@@H](C)[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000809683810 630779641 /nfs/dbraw/zinc/77/96/41/630779641.db2.gz PYPQUJWZCVLADD-MRVPVSSYSA-N 1 1 259.683 3.053 20 30 CGEDMO C#C[C@H]([NH2+]Cc1nccn1-c1ccccc1)C(C)(C)C ZINC000809781260 630806101 /nfs/dbraw/zinc/80/61/01/630806101.db2.gz LZXQCIDAJIBQOT-HNNXBMFYSA-N 1 1 267.376 3.010 20 30 CGEDMO C=CCC[C@H](C)OC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810651572 630917413 /nfs/dbraw/zinc/91/74/13/630917413.db2.gz NUYLFVZFHCHPHX-SWLSCSKDSA-N 1 1 271.376 3.097 20 30 CGEDMO C=CCCC[C@H](C)OC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810654483 630918409 /nfs/dbraw/zinc/91/84/09/630918409.db2.gz XAVOPMDSPHXRIQ-XJKSGUPXSA-N 1 1 285.403 3.487 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000811510575 631078704 /nfs/dbraw/zinc/07/87/04/631078704.db2.gz KHIPRXVZDBINNP-IRXDYDNUSA-N 1 1 269.388 3.057 20 30 CGEDMO C=CCCCCCCCNC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000811590051 631088663 /nfs/dbraw/zinc/08/86/63/631088663.db2.gz NQHLNBRZFHQQKJ-HNNXBMFYSA-N 1 1 298.496 3.067 20 30 CGEDMO C[C@@H]1CC(=NOCC2CC2)C[N@H+]1Cc1ccccc1 ZINC000814245116 631558644 /nfs/dbraw/zinc/55/86/44/631558644.db2.gz SEBUBUIKSWBFJW-CYBMUJFWSA-N 1 1 258.365 3.063 20 30 CGEDMO CC(=[NH+]Nc1ccccc1)c1cc(F)c(N)c(F)c1 ZINC000814684028 631621890 /nfs/dbraw/zinc/62/18/90/631621890.db2.gz APMSFIKNVSKJSR-UHFFFAOYSA-N 1 1 261.275 3.383 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCC2(CCOCC2)CO1 ZINC000878990928 635673582 /nfs/dbraw/zinc/67/35/82/635673582.db2.gz CHTMFKIMPXKSBR-BBWFWOEESA-N 1 1 291.435 3.145 20 30 CGEDMO CCC(=[NH+]NCc1ccc(F)cc1F)c1cccc(N)c1 ZINC000814829908 631650111 /nfs/dbraw/zinc/65/01/11/631650111.db2.gz OLVWOJJHWGFIFT-UHFFFAOYSA-N 1 1 289.329 3.451 20 30 CGEDMO C=CCOCC[N@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000815048700 631708035 /nfs/dbraw/zinc/70/80/35/631708035.db2.gz ZEKCBTIMDZYCFX-VYDXJSESSA-N 1 1 275.392 3.040 20 30 CGEDMO C=CCCCOC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000815446031 631780471 /nfs/dbraw/zinc/78/04/71/631780471.db2.gz NAGRKTRGVQEAPI-HNNXBMFYSA-N 1 1 265.397 3.293 20 30 CGEDMO C[C@H](c1cccnc1)[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879433662 635787140 /nfs/dbraw/zinc/78/71/40/635787140.db2.gz ADMWKINKQIMIDJ-CQSZACIVSA-N 1 1 265.360 3.189 20 30 CGEDMO C[N@@H+](CCC(=O)C(C)(C)C)CCc1cccc(C#N)c1 ZINC000879433540 635787162 /nfs/dbraw/zinc/78/71/62/635787162.db2.gz WDDAAVJVPIIIAZ-UHFFFAOYSA-N 1 1 272.392 3.038 20 30 CGEDMO C#CC[C@@H]([NH2+]Cc1cnc(OC)s1)c1ccccc1 ZINC000821218921 632740079 /nfs/dbraw/zinc/74/00/79/632740079.db2.gz AJLUXPANYXNXMJ-CQSZACIVSA-N 1 1 272.373 3.006 20 30 CGEDMO C=C(C)C(C)(C)C(=O)OCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000821295442 632748730 /nfs/dbraw/zinc/74/87/30/632748730.db2.gz YLHXDHNHMYQQOG-AGUYFDCRSA-N 1 1 265.397 3.005 20 30 CGEDMO C=C(Br)C[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000105453732 635831806 /nfs/dbraw/zinc/83/18/06/635831806.db2.gz USWUGLFELVSMAG-KWQFWETISA-N 1 1 270.170 3.401 20 30 CGEDMO C=C(Br)C[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000105453098 635831841 /nfs/dbraw/zinc/83/18/41/635831841.db2.gz JKVVYUOKHORMHR-UHFFFAOYSA-N 1 1 280.087 3.102 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000880047384 635904393 /nfs/dbraw/zinc/90/43/93/635904393.db2.gz OOFGNJNFXGZGOC-SMDDNHRTSA-N 1 1 298.308 3.272 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000880047384 635904395 /nfs/dbraw/zinc/90/43/95/635904395.db2.gz OOFGNJNFXGZGOC-SMDDNHRTSA-N 1 1 298.308 3.272 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccnc(N(C)C)c1 ZINC000823617528 633128336 /nfs/dbraw/zinc/12/83/36/633128336.db2.gz JVERYUNPQOJNJS-CQSZACIVSA-N 1 1 294.402 3.212 20 30 CGEDMO Cc1ncc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2O)s1 ZINC000866456312 633143647 /nfs/dbraw/zinc/14/36/47/633143647.db2.gz XUVWYMYYTKTKJX-VHSXEESVSA-N 1 1 287.388 3.441 20 30 CGEDMO C=C(Br)C[NH2+]Cc1ccc(C)cc1OC ZINC000823818892 633155440 /nfs/dbraw/zinc/15/54/40/633155440.db2.gz ZNUFSPAMUAHLLA-UHFFFAOYSA-N 1 1 270.170 3.002 20 30 CGEDMO C=CC[C@H]([NH2+]Cc1ncc(C)s1)c1ccncc1 ZINC000823888327 633166533 /nfs/dbraw/zinc/16/65/33/633166533.db2.gz ZRMVEMZKTKIBLD-ZDUSSCGKSA-N 1 1 259.378 3.254 20 30 CGEDMO C=CC[N@H+](Cc1ccc(O[C@H](C)COC)cc1)C(C)C ZINC000824580488 633262090 /nfs/dbraw/zinc/26/20/90/633262090.db2.gz GKDJRCNOTWBGJK-OAHLLOKOSA-N 1 1 277.408 3.497 20 30 CGEDMO Cc1cc(O)c(C[N@@H+](C)CC(C)(C)C#N)cc1Cl ZINC000826011240 633396922 /nfs/dbraw/zinc/39/69/22/633396922.db2.gz CMJYVHDOGSLLAC-UHFFFAOYSA-N 1 1 266.772 3.336 20 30 CGEDMO Cc1cc(O)c(C[N@H+](C)CC(C)(C)C#N)cc1Cl ZINC000826011240 633396933 /nfs/dbraw/zinc/39/69/33/633396933.db2.gz CMJYVHDOGSLLAC-UHFFFAOYSA-N 1 1 266.772 3.336 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000826535009 633411567 /nfs/dbraw/zinc/41/15/67/633411567.db2.gz PFIAXJMPKWXYEZ-OAHLLOKOSA-N 1 1 264.372 3.087 20 30 CGEDMO C=CCCO[C@@H](C)C(=O)OCc1c(C)cc(C)[nH+]c1C ZINC000869370300 633435831 /nfs/dbraw/zinc/43/58/31/633435831.db2.gz LUIDDMYXURYKMA-AWEZNQCLSA-N 1 1 277.364 3.031 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1cc2ccccc2cc1OC ZINC000827827414 633523002 /nfs/dbraw/zinc/52/30/02/633523002.db2.gz UIEODWGLGOZFAU-UHFFFAOYSA-N 1 1 297.398 3.320 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@@]1(C)Cc1cccc(F)c1 ZINC000829226656 633715182 /nfs/dbraw/zinc/71/51/82/633715182.db2.gz SHSJQXDXFGASEY-PBHICJAKSA-N 1 1 290.382 3.151 20 30 CGEDMO C#CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000829775170 633780302 /nfs/dbraw/zinc/78/03/02/633780302.db2.gz YUBMUEIVOAAOKA-IRXDYDNUSA-N 1 1 298.430 3.366 20 30 CGEDMO C#CC[C@H]1CCC[N@H+]([C@H](C)C(=O)N(CC)c2ccccc2)C1 ZINC000829769666 633781346 /nfs/dbraw/zinc/78/13/46/633781346.db2.gz YVABRPHQGMUBGE-SJORKVTESA-N 1 1 298.430 3.163 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2csc([C@H](C)OCC)n2)C1 ZINC000829784720 633783367 /nfs/dbraw/zinc/78/33/67/633783367.db2.gz MEPVYBJBDBFEBR-KBPBESRZSA-N 1 1 292.448 3.476 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2csc([C@H](C)OCC)n2)C1 ZINC000829784720 633783371 /nfs/dbraw/zinc/78/33/71/633783371.db2.gz MEPVYBJBDBFEBR-KBPBESRZSA-N 1 1 292.448 3.476 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000829785014 633783589 /nfs/dbraw/zinc/78/35/89/633783589.db2.gz PFRBINQRBBGBNN-AWEZNQCLSA-N 1 1 280.371 3.176 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000829784451 633784372 /nfs/dbraw/zinc/78/43/72/633784372.db2.gz KIIDLSRUQWGTNB-UONOGXRCSA-N 1 1 272.348 3.391 20 30 CGEDMO C#CC1CC[NH+](Cc2nc3ccccc3n2C(F)F)CC1 ZINC000830316391 633849489 /nfs/dbraw/zinc/84/94/89/633849489.db2.gz QFVMXFWLSCQTKH-UHFFFAOYSA-N 1 1 289.329 3.277 20 30 CGEDMO C#CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000830345435 633853371 /nfs/dbraw/zinc/85/33/71/633853371.db2.gz CSSSYNLLCZGMLS-UHFFFAOYSA-N 1 1 278.739 3.093 20 30 CGEDMO C=CCCCCCON=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871785102 633864343 /nfs/dbraw/zinc/86/43/43/633864343.db2.gz RGNXSUOTJFXANF-GOOCMWNKSA-N 1 1 279.428 3.104 20 30 CGEDMO C#CCCCN1C[C@H](C)[N@H+](CCCC#C)CC12CCCC2 ZINC000830924206 633898982 /nfs/dbraw/zinc/89/89/82/633898982.db2.gz UTHHZRDBKKBWGI-SFHVURJKSA-N 1 1 286.463 3.132 20 30 CGEDMO C#CCCCN1CC2(CCCC2)[N@@H+](CCCC#C)C[C@@H]1C ZINC000830924206 633898984 /nfs/dbraw/zinc/89/89/84/633898984.db2.gz UTHHZRDBKKBWGI-SFHVURJKSA-N 1 1 286.463 3.132 20 30 CGEDMO C#CCCCN1CC2(CCCC2)[N@H+](CCCC#C)C[C@@H]1C ZINC000830924206 633898988 /nfs/dbraw/zinc/89/89/88/633898988.db2.gz UTHHZRDBKKBWGI-SFHVURJKSA-N 1 1 286.463 3.132 20 30 CGEDMO CC(C)c1cc([C@@H]2CCC[N@H+]([C@H]3CC[C@H](C#N)C3)C2)[nH]n1 ZINC000872094428 634019161 /nfs/dbraw/zinc/01/91/61/634019161.db2.gz GMUHUNQLSNLPST-ZNMIVQPWSA-N 1 1 286.423 3.405 20 30 CGEDMO CC(C)c1cc([C@@H]2CCC[N@@H+]([C@H]3CC[C@H](C#N)C3)C2)n[nH]1 ZINC000872094428 634019166 /nfs/dbraw/zinc/01/91/66/634019166.db2.gz GMUHUNQLSNLPST-ZNMIVQPWSA-N 1 1 286.423 3.405 20 30 CGEDMO CC(C)c1cc([C@@H]2CCC[N@H+]([C@H]3CC[C@H](C#N)C3)C2)n[nH]1 ZINC000872094428 634019172 /nfs/dbraw/zinc/01/91/72/634019172.db2.gz GMUHUNQLSNLPST-ZNMIVQPWSA-N 1 1 286.423 3.405 20 30 CGEDMO C=C(Cl)C[C@H]([NH3+])c1nc(Cc2cc(C)ccc2F)no1 ZINC000872184384 634081497 /nfs/dbraw/zinc/08/14/97/634081497.db2.gz UBHHTXYZHKNQNI-LBPRGKRZSA-N 1 1 295.745 3.250 20 30 CGEDMO C#C[C@H]1CC[C@H]([NH2+]Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000873198275 634283582 /nfs/dbraw/zinc/28/35/82/634283582.db2.gz CCTPIVHKDKQZKT-KOMQPUFPSA-N 1 1 279.387 3.358 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1cccc2c1NCC2 ZINC000873220739 634289618 /nfs/dbraw/zinc/28/96/18/634289618.db2.gz XOSPBBFGWVHQTQ-UHFFFAOYSA-N 1 1 291.398 3.201 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@H](c2nc(C)no2)C1 ZINC000876612727 634867971 /nfs/dbraw/zinc/86/79/71/634867971.db2.gz VHDJYGGXCBYFTB-HNNXBMFYSA-N 1 1 275.396 3.141 20 30 CGEDMO CC[N@@H+](C[C@@H](C)C#N)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000876617229 634868677 /nfs/dbraw/zinc/86/86/77/634868677.db2.gz HVPAIHGYAFHEQG-ZDUSSCGKSA-N 1 1 297.443 3.019 20 30 CGEDMO C#CCCCCCC[N@H+]1CCCN(c2nccs2)CC1 ZINC000876638147 634873727 /nfs/dbraw/zinc/87/37/27/634873727.db2.gz DEPJXUBOMBRUDR-UHFFFAOYSA-N 1 1 291.464 3.239 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@@H](CNC(=O)CCC)C1 ZINC000876655249 634876022 /nfs/dbraw/zinc/87/60/22/634876022.db2.gz XXXIHEXTRXEGMY-KRWDZBQOSA-N 1 1 292.467 3.198 20 30 CGEDMO C#CCCCCCCN1CCC[N@H+](C(C)(C)C)CC1 ZINC000876651428 634876106 /nfs/dbraw/zinc/87/61/06/634876106.db2.gz VVELGOLFYIWLHG-UHFFFAOYSA-N 1 1 264.457 3.376 20 30 CGEDMO C#CCCCCCC[N@H+]1CCCN(C(C)(C)C)CC1 ZINC000876651428 634876111 /nfs/dbraw/zinc/87/61/11/634876111.db2.gz VVELGOLFYIWLHG-UHFFFAOYSA-N 1 1 264.457 3.376 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCCN(C(C)(C)C)CC1 ZINC000876651428 634876118 /nfs/dbraw/zinc/87/61/18/634876118.db2.gz VVELGOLFYIWLHG-UHFFFAOYSA-N 1 1 264.457 3.376 20 30 CGEDMO C[C@@H]1CC[N@H+](Cc2cc(C#N)cnc2Cl)C[C@H]1C ZINC000876745175 634890818 /nfs/dbraw/zinc/89/08/18/634890818.db2.gz GGZBJMPIPKJYSC-GHMZBOCLSA-N 1 1 263.772 3.085 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cc(C#N)cnc2Cl)C[C@H]1C ZINC000876745175 634890822 /nfs/dbraw/zinc/89/08/22/634890822.db2.gz GGZBJMPIPKJYSC-GHMZBOCLSA-N 1 1 263.772 3.085 20 30 CGEDMO CCCCCCCCCN(C)C(=O)Cn1cc[nH+]c1C ZINC000837362030 634895899 /nfs/dbraw/zinc/89/58/99/634895899.db2.gz WMSGOVQBFJSOLY-UHFFFAOYSA-N 1 1 279.428 3.401 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000876807719 634903535 /nfs/dbraw/zinc/90/35/35/634903535.db2.gz IXXDJTOGXUKKGD-QLFBSQMISA-N 1 1 276.380 3.107 20 30 CGEDMO C=CCCCC(=O)OCC[N@H+](C)Cc1ccccc1 ZINC000837560795 634934461 /nfs/dbraw/zinc/93/44/61/634934461.db2.gz XBMGMBSUZKAKIP-UHFFFAOYSA-N 1 1 261.365 3.018 20 30 CGEDMO C#C[C@H](CC)N[C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877513321 635066232 /nfs/dbraw/zinc/06/62/32/635066232.db2.gz RBNHCXCNTUIPBG-ZIFCJYIRSA-N 1 1 282.431 3.356 20 30 CGEDMO C#C[C@H](CC)N[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877513321 635066236 /nfs/dbraw/zinc/06/62/36/635066236.db2.gz RBNHCXCNTUIPBG-ZIFCJYIRSA-N 1 1 282.431 3.356 20 30 CGEDMO N#Cc1cnc(Cl)c(CNc2cc(C3CC3)cc[nH+]2)c1 ZINC000877540652 635079668 /nfs/dbraw/zinc/07/96/68/635079668.db2.gz FYFYDAKQIJKJKX-UHFFFAOYSA-N 1 1 284.750 3.491 20 30 CGEDMO C[C@@H](CC1(C#N)CCOCC1)Nc1cc(C2CC2)cc[nH+]1 ZINC000877540613 635079950 /nfs/dbraw/zinc/07/99/50/635079950.db2.gz DSRLXRXTSQANBX-ZDUSSCGKSA-N 1 1 285.391 3.470 20 30 CGEDMO C=C(Cl)C[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000121490472 635102139 /nfs/dbraw/zinc/10/21/39/635102139.db2.gz GIVRPBADZQWEAS-HNNXBMFYSA-N 1 1 265.784 3.111 20 30 CGEDMO C=C(Cl)C[N@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000121490472 635102141 /nfs/dbraw/zinc/10/21/41/635102141.db2.gz GIVRPBADZQWEAS-HNNXBMFYSA-N 1 1 265.784 3.111 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(Cl)nn1 ZINC000877599176 635106819 /nfs/dbraw/zinc/10/68/19/635106819.db2.gz RGBBPCNYSBGOQT-NSHDSACASA-N 1 1 286.766 3.195 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(Cl)nn1 ZINC000877599176 635106820 /nfs/dbraw/zinc/10/68/20/635106820.db2.gz RGBBPCNYSBGOQT-NSHDSACASA-N 1 1 286.766 3.195 20 30 CGEDMO COc1ccc(N(C)CC[N@@H+](C)C[C@H](C)CCC#N)cc1 ZINC000877611047 635111600 /nfs/dbraw/zinc/11/16/00/635111600.db2.gz VYGFRPKVWGMWFQ-OAHLLOKOSA-N 1 1 289.423 3.003 20 30 CGEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CCC[C@H](CCF)C1 ZINC000877631029 635122509 /nfs/dbraw/zinc/12/25/09/635122509.db2.gz NCOZEIPXFIKQCJ-CQSZACIVSA-N 1 1 289.398 3.196 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1ccccc1CC(F)(F)F ZINC000877640579 635126996 /nfs/dbraw/zinc/12/69/96/635126996.db2.gz AHFUEALSYIBTME-UHFFFAOYSA-N 1 1 299.336 3.263 20 30 CGEDMO C#CCCCCCC[N@H+]1CC[C@H](OCc2ccccn2)C1 ZINC000877645413 635129857 /nfs/dbraw/zinc/12/98/57/635129857.db2.gz KOOPJVQFTJUEQF-SFHVURJKSA-N 1 1 286.419 3.256 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cnc1Cl)C[C@@H]1CC1(C)C ZINC000877644999 635130384 /nfs/dbraw/zinc/13/03/84/635130384.db2.gz XTYNMDMYKCNOJG-LBPRGKRZSA-N 1 1 263.772 3.085 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cccnc2Br)C1 ZINC000877651412 635132501 /nfs/dbraw/zinc/13/25/01/635132501.db2.gz XTHHWUWZKKXCKH-NSHDSACASA-N 1 1 281.197 3.242 20 30 CGEDMO C=C(C)C[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)C(=O)OC ZINC000877689744 635147039 /nfs/dbraw/zinc/14/70/39/635147039.db2.gz JVPIBYALDMRORV-MCIGGMRASA-N 1 1 293.329 3.205 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000877935330 635279336 /nfs/dbraw/zinc/27/93/36/635279336.db2.gz JNDUFNZKSXFOTH-MAUKXSAKSA-N 1 1 284.403 3.301 20 30 CGEDMO C=CC[C@H](C)[N@@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000878041475 635332785 /nfs/dbraw/zinc/33/27/85/635332785.db2.gz MOYCRODIPMOEBG-NHYWBVRUSA-N 1 1 267.319 3.303 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000878041475 635332796 /nfs/dbraw/zinc/33/27/96/635332796.db2.gz MOYCRODIPMOEBG-NHYWBVRUSA-N 1 1 267.319 3.303 20 30 CGEDMO C#CCCCCC[N@H+]1CCC[C@H]1CN1CCCCC1 ZINC000878046091 635336563 /nfs/dbraw/zinc/33/65/63/635336563.db2.gz QRIDOLKNWFGDMJ-KRWDZBQOSA-N 1 1 262.441 3.130 20 30 CGEDMO C#CCCCCCN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000878046091 635336570 /nfs/dbraw/zinc/33/65/70/635336570.db2.gz QRIDOLKNWFGDMJ-KRWDZBQOSA-N 1 1 262.441 3.130 20 30 CGEDMO C[N@@H+](CC1(CC#N)CC1)[C@@H]1CCc2ccccc2C1 ZINC000878107276 635359771 /nfs/dbraw/zinc/35/97/71/635359771.db2.gz WIQSEFYUENJPHC-MRXNPFEDSA-N 1 1 254.377 3.170 20 30 CGEDMO CC(=NNC12CC(C1)C2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000842546232 635399115 /nfs/dbraw/zinc/39/91/15/635399115.db2.gz FVHUPAWAOKFYAH-ADKAHSJRSA-N 1 1 283.419 3.027 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@H](C(C)C)C1)c1ccccc1 ZINC000878182762 635399399 /nfs/dbraw/zinc/39/93/99/635399399.db2.gz SYXUHUSKOUPPJL-PKOBYXMFSA-N 1 1 298.430 3.405 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)C[C@H](O)c1ccc(C#N)cc1 ZINC000126961276 635417272 /nfs/dbraw/zinc/41/72/72/635417272.db2.gz NGACVJBOPZHQMI-KRWDZBQOSA-N 1 1 298.411 3.341 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000878213995 635417399 /nfs/dbraw/zinc/41/73/99/635417399.db2.gz OLNDIPOMWWIBQW-GJZGRUSLSA-N 1 1 287.407 3.005 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cn2ccc(-c3cccs3)n2)C1 ZINC000842629848 635420113 /nfs/dbraw/zinc/42/01/13/635420113.db2.gz SJBIISCVPFJHED-AWEZNQCLSA-N 1 1 285.416 3.304 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000842628306 635421240 /nfs/dbraw/zinc/42/12/40/635421240.db2.gz WIZQAGMOKGKLDJ-OAHLLOKOSA-N 1 1 257.377 3.244 20 30 CGEDMO C=CCCCC(=O)OC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000842829563 635485489 /nfs/dbraw/zinc/48/54/89/635485489.db2.gz FYMHRRPMXCZWGR-AWEZNQCLSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CCC[N@H+](C)Cc1coc(-c2ccccc2OC)n1 ZINC000878490671 635530896 /nfs/dbraw/zinc/53/08/96/635530896.db2.gz POLZQEQALPPRGA-UHFFFAOYSA-N 1 1 272.348 3.358 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)o1 ZINC000878544920 635551125 /nfs/dbraw/zinc/55/11/25/635551125.db2.gz BLFNYODSAOXPHO-GVDBMIGSSA-N 1 1 288.391 3.057 20 30 CGEDMO CC(C)(C)c1ccc([C@@H](O)C[NH2+]C[C@H](C#N)CCC#N)cc1 ZINC000843083077 635557253 /nfs/dbraw/zinc/55/72/53/635557253.db2.gz WKCSERJGMJORQP-YOEHRIQHSA-N 1 1 299.418 3.051 20 30 CGEDMO C#CCCCCC[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000878626059 635576850 /nfs/dbraw/zinc/57/68/50/635576850.db2.gz LHWCRTAQJVSQGE-UHFFFAOYSA-N 1 1 271.360 3.053 20 30 CGEDMO C#CCCCCC[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000878637817 635584117 /nfs/dbraw/zinc/58/41/17/635584117.db2.gz VUYUGMXJRVXNJC-HXUWFJFHSA-N 1 1 299.458 3.497 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000843420043 635664633 /nfs/dbraw/zinc/66/46/33/635664633.db2.gz ZSVMVFFIYFJLHG-QGZVFWFLSA-N 1 1 292.382 3.083 20 30 CGEDMO C[N@@H+](CC[C@@H]1CCCC1(F)F)[C@@H]1CCC[C@H]1C#N ZINC000879309501 635752848 /nfs/dbraw/zinc/75/28/48/635752848.db2.gz NUSWLOSIBOWSID-RWMBFGLXSA-N 1 1 256.340 3.436 20 30 CGEDMO C#Cc1cccc(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)c1 ZINC000843761251 635776278 /nfs/dbraw/zinc/77/62/78/635776278.db2.gz ZRMLWYZPSOKTPG-CYBMUJFWSA-N 1 1 281.359 3.017 20 30 CGEDMO CC(C)C[C@H](C)C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844367939 635882238 /nfs/dbraw/zinc/88/22/38/635882238.db2.gz DGEDPGVMYBBAJA-WMLDXEAASA-N 1 1 274.408 3.206 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCCC[C@H]1Cc1ccccc1F ZINC000844413135 635893643 /nfs/dbraw/zinc/89/36/43/635893643.db2.gz FQBGSRYTCUYGRN-ZBFHGGJFSA-N 1 1 290.382 3.151 20 30 CGEDMO N#Cc1ccc(OCC[N@@H+]2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000844438364 635900639 /nfs/dbraw/zinc/90/06/39/635900639.db2.gz NQRNGNBHJSNLHN-OAHLLOKOSA-N 1 1 292.329 3.058 20 30 CGEDMO C#CCCC[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1C ZINC000880089839 635910982 /nfs/dbraw/zinc/91/09/82/635910982.db2.gz KSWNPXVULIGSDJ-CYBMUJFWSA-N 1 1 273.376 3.036 20 30 CGEDMO COC(=O)[C@]12CCC[C@H]1[N@H+]([C@@H](C)c1ccc(C#N)cc1)CC2 ZINC000880181432 635928715 /nfs/dbraw/zinc/92/87/15/635928715.db2.gz WCFNGINREOPRJQ-XCRHUMRWSA-N 1 1 298.386 3.037 20 30 CGEDMO CC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@@H](CO)c1ccccc1 ZINC000880462140 636004768 /nfs/dbraw/zinc/00/47/68/636004768.db2.gz PIJJBWRSKUUATF-SFHVURJKSA-N 1 1 298.361 3.253 20 30 CGEDMO C#CCC1(O)CC[NH+]([C@H](C)c2cccc(Cl)c2F)CC1 ZINC000880483929 636009185 /nfs/dbraw/zinc/00/91/85/636009185.db2.gz NBWAKQDHGUEQIS-GFCCVEGCSA-N 1 1 295.785 3.390 20 30 CGEDMO N#CCSCCC[N@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000880576136 636024756 /nfs/dbraw/zinc/02/47/56/636024756.db2.gz RKCNFRNBGXRHIK-INIZCTEOSA-N 1 1 296.480 3.162 20 30 CGEDMO CCOC(C[N@@H+](CC)Cc1ccc(C#N)c(C)c1)OCC ZINC000846978336 636298486 /nfs/dbraw/zinc/29/84/86/636298486.db2.gz ZJFSRNWOTOHWKQ-UHFFFAOYSA-N 1 1 290.407 3.088 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](CC[C@H](C)OCc2ccccc2)C1 ZINC000847017925 636311702 /nfs/dbraw/zinc/31/17/02/636311702.db2.gz FQDYEHAOBBJORT-DLBZAZTESA-N 1 1 271.404 3.327 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000847020300 636312973 /nfs/dbraw/zinc/31/29/73/636312973.db2.gz ARHCKLKOBCPQGN-UONOGXRCSA-N 1 1 272.348 3.309 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000847024185 636314923 /nfs/dbraw/zinc/31/49/23/636314923.db2.gz HOGHWKCMGJZLEI-CYBMUJFWSA-N 1 1 290.794 3.014 20 30 CGEDMO C#C[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000847024189 636315494 /nfs/dbraw/zinc/31/54/94/636315494.db2.gz HOGHWKCMGJZLEI-ZDUSSCGKSA-N 1 1 290.794 3.014 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000847025679 636317366 /nfs/dbraw/zinc/31/73/66/636317366.db2.gz CQFXWMHVKOZTBF-CABCVRRESA-N 1 1 295.386 3.451 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2coc(-c3ccc(OC)cc3)n2)C1 ZINC000847026930 636317616 /nfs/dbraw/zinc/31/76/16/636317616.db2.gz IKNZQMAATHOJKR-AWEZNQCLSA-N 1 1 296.370 3.195 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2coc(-c3ccc(OC)cc3)n2)C1 ZINC000847026930 636317623 /nfs/dbraw/zinc/31/76/23/636317623.db2.gz IKNZQMAATHOJKR-AWEZNQCLSA-N 1 1 296.370 3.195 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2nc3cc(Cl)ccc3n2C)C1 ZINC000847033585 636319852 /nfs/dbraw/zinc/31/98/52/636319852.db2.gz YWBDIINOVBBJIC-LBPRGKRZSA-N 1 1 287.794 3.072 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2nc3cc(Cl)ccc3n2C)C1 ZINC000847033585 636319857 /nfs/dbraw/zinc/31/98/57/636319857.db2.gz YWBDIINOVBBJIC-LBPRGKRZSA-N 1 1 287.794 3.072 20 30 CGEDMO O=[N+]([O-])c1cccc(N=NC2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000848399371 636567748 /nfs/dbraw/zinc/56/77/48/636567748.db2.gz PHKGFMZOIGPOSS-HNNXBMFYSA-N 1 1 288.351 3.011 20 30 CGEDMO C=CCC[C@@H]([NH2+]Cc1cn[nH]c1C)[C@H]1Cc2ccccc2O1 ZINC000883205097 636584163 /nfs/dbraw/zinc/58/41/63/636584163.db2.gz ONZNJCFPVPWUBU-SJLPKXTDSA-N 1 1 297.402 3.146 20 30 CGEDMO CC(=O)c1ccc(C#N)cc1N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848784906 636657413 /nfs/dbraw/zinc/65/74/13/636657413.db2.gz HHSFISYYMGAPJW-WMZOPIPTSA-N 1 1 297.402 3.190 20 30 CGEDMO CC(=O)c1ccc(C#N)cc1N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848784905 636657659 /nfs/dbraw/zinc/65/76/59/636657659.db2.gz HHSFISYYMGAPJW-SJLPKXTDSA-N 1 1 297.402 3.190 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc3cnccc3c2)C1 ZINC000848923514 636694012 /nfs/dbraw/zinc/69/40/12/636694012.db2.gz GHIPNEXZBSTNNO-AWEZNQCLSA-N 1 1 250.345 3.080 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cn(-c3ccccc3F)nc2C)C1 ZINC000848923399 636694418 /nfs/dbraw/zinc/69/44/18/636694418.db2.gz DEOUTOLRYRQQPZ-HNNXBMFYSA-N 1 1 297.377 3.165 20 30 CGEDMO C=CCCCCC[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000848923335 636694620 /nfs/dbraw/zinc/69/46/20/636694620.db2.gz JKFGQDMXZDNJCW-UHFFFAOYSA-N 1 1 294.351 3.145 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cn(-c3cccc(F)c3)nc2C)C1 ZINC000848923688 636695187 /nfs/dbraw/zinc/69/51/87/636695187.db2.gz IKDLYAIVXXDMQN-HNNXBMFYSA-N 1 1 297.377 3.165 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000848924005 636696106 /nfs/dbraw/zinc/69/61/06/636696106.db2.gz MEHGVLKXAUEXEZ-CQSZACIVSA-N 1 1 265.356 3.391 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(C)cc2-c2ccnn2C)C1 ZINC000848924529 636698070 /nfs/dbraw/zinc/69/80/70/636698070.db2.gz UTRLGLWEVMKGPH-MRXNPFEDSA-N 1 1 293.414 3.241 20 30 CGEDMO C[C@H](C#N)C[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000849004028 636710792 /nfs/dbraw/zinc/71/07/92/636710792.db2.gz UUMMQBWJARHFJL-CQSZACIVSA-N 1 1 270.380 3.100 20 30 CGEDMO C[C@H](CNCc1ccc(C2(C#N)CC2)cc1)[NH+]1CCCCC1 ZINC000850058612 636939945 /nfs/dbraw/zinc/93/99/45/636939945.db2.gz CUKRMXFYFATNHN-MRXNPFEDSA-N 1 1 297.446 3.206 20 30 CGEDMO CC(C)CC[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000109274811 637019593 /nfs/dbraw/zinc/01/95/93/637019593.db2.gz PKUZMHRSLCBRHX-QGZVFWFLSA-N 1 1 272.392 3.102 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)C[C@@H](O)CC1(C#N)CCC1 ZINC000885967867 637336649 /nfs/dbraw/zinc/33/66/49/637336649.db2.gz ZWVDBWVDHIDXBQ-SFHVURJKSA-N 1 1 298.430 3.162 20 30 CGEDMO CCC[C@@H]1[C@H](C)CCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886072297 637400359 /nfs/dbraw/zinc/40/03/59/637400359.db2.gz CMCVLXCNLKMAAH-BZUAXINKSA-N 1 1 278.440 3.332 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@H+]2CCCC23CCCCC3)CCC1 ZINC000886089573 637404858 /nfs/dbraw/zinc/40/48/58/637404858.db2.gz DTVGDSZPLSEXPM-OAHLLOKOSA-N 1 1 276.424 3.230 20 30 CGEDMO C=CC[C@@H]1[N@H+](C[C@H]2C[C@@]23CCOC3)CCCC1(C)C ZINC000886173587 637448216 /nfs/dbraw/zinc/44/82/16/637448216.db2.gz UEHUSWAPYJJYAZ-HLLBOEOZSA-N 1 1 263.425 3.480 20 30 CGEDMO C#CCOCC[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000851719299 637474296 /nfs/dbraw/zinc/47/42/96/637474296.db2.gz XVDCMBMPXDCPTG-CQSZACIVSA-N 1 1 286.400 3.083 20 30 CGEDMO C#CC[C@H]1CC[N@H+]([C@H](C)c2nc3ccccc3o2)C1 ZINC000886363765 637513697 /nfs/dbraw/zinc/51/36/97/637513697.db2.gz CGYCUUQARBUROF-OLZOCXBDSA-N 1 1 254.333 3.234 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(-c3ncco3)cc2F)C1 ZINC000886366040 637516360 /nfs/dbraw/zinc/51/63/60/637516360.db2.gz VUGPCRASYUQDSA-CYBMUJFWSA-N 1 1 284.334 3.326 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)CCc1nsc2ccccc21 ZINC000851986811 637565944 /nfs/dbraw/zinc/56/59/44/637565944.db2.gz OQVYSXMAXCRQMS-UHFFFAOYSA-N 1 1 258.390 3.182 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+]Cc1coc(-c2cccs2)n1 ZINC000852098094 637590988 /nfs/dbraw/zinc/59/09/88/637590988.db2.gz FKIICMNKZOCIOY-AWEZNQCLSA-N 1 1 260.362 3.295 20 30 CGEDMO CCCCCC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000852318776 637632446 /nfs/dbraw/zinc/63/24/46/637632446.db2.gz AXUBTHZWUHNDCW-HZPDHXFCSA-N 1 1 293.455 3.087 20 30 CGEDMO CCCCCC[C@@H](C)NC(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000852318776 637632451 /nfs/dbraw/zinc/63/24/51/637632451.db2.gz AXUBTHZWUHNDCW-HZPDHXFCSA-N 1 1 293.455 3.087 20 30 CGEDMO C=CC[N@H+](CC[C@H]1CC1(Cl)Cl)[C@H](C)COC ZINC000852357249 637642309 /nfs/dbraw/zinc/64/23/09/637642309.db2.gz YWNSIAWSKPHZOO-MNOVXSKESA-N 1 1 266.212 3.093 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CC[C@@H](O)c2ccccc2)C1 ZINC000852410893 637649151 /nfs/dbraw/zinc/64/91/51/637649151.db2.gz PXHKARQOHOYDSK-NVXWUHKLSA-N 1 1 259.393 3.398 20 30 CGEDMO Cc1csc(C[C@@H]2CCC[N@H+]([C@@H]3CC[C@H](C#N)C3)C2)n1 ZINC000886692160 637656564 /nfs/dbraw/zinc/65/65/64/637656564.db2.gz SVHKOUXMFCWJTQ-SOUVJXGZSA-N 1 1 289.448 3.398 20 30 CGEDMO N#CCOc1ccc(C[N@@H+]2CCC[C@@H](CCF)C2)cc1 ZINC000852533129 637674170 /nfs/dbraw/zinc/67/41/70/637674170.db2.gz OWHQOPLTGIIJJQ-AWEZNQCLSA-N 1 1 276.355 3.161 20 30 CGEDMO C=CCC1(O)CC[NH+](Cc2ccn(C(CC)CC)n2)CC1 ZINC000886773729 637682515 /nfs/dbraw/zinc/68/25/15/637682515.db2.gz AAULBPNHMHQUFR-UHFFFAOYSA-N 1 1 291.439 3.147 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886822235 637708497 /nfs/dbraw/zinc/70/84/97/637708497.db2.gz OAOPWVJHYHXSGN-XYPHTWIQSA-N 1 1 270.376 3.120 20 30 CGEDMO C#CCOCCS[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000853021170 637735575 /nfs/dbraw/zinc/73/55/75/637735575.db2.gz DZTZNZNFLQYNAR-KRWDZBQOSA-N 1 1 289.444 3.034 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)C[C@H](O)c1ccc(F)c(F)c1 ZINC000111250899 637822081 /nfs/dbraw/zinc/82/20/81/637822081.db2.gz HFYAQYPTLBZWBL-HNNXBMFYSA-N 1 1 296.361 3.260 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@H](O)c1ccc(F)c(F)c1 ZINC000111250899 637822084 /nfs/dbraw/zinc/82/20/84/637822084.db2.gz HFYAQYPTLBZWBL-HNNXBMFYSA-N 1 1 296.361 3.260 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cn2cc(-c3ccccc3)cn2)C1 ZINC000853526648 637861584 /nfs/dbraw/zinc/86/15/84/637861584.db2.gz VPDZZXISHHPNND-HNNXBMFYSA-N 1 1 280.375 3.133 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cn2cc(-c3ccccc3)cn2)C1 ZINC000853526648 637861591 /nfs/dbraw/zinc/86/15/91/637861591.db2.gz VPDZZXISHHPNND-HNNXBMFYSA-N 1 1 280.375 3.133 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000853537338 637864044 /nfs/dbraw/zinc/86/40/44/637864044.db2.gz VLNDJJRFTQDKCI-ZDUSSCGKSA-N 1 1 291.391 3.198 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1C[C@H](CC(C)C)CC1=O ZINC000853598422 637871501 /nfs/dbraw/zinc/87/15/01/637871501.db2.gz QRKDHABAACBATO-OAGGEKHMSA-N 1 1 276.424 3.022 20 30 CGEDMO C#CCNc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000857646091 638543811 /nfs/dbraw/zinc/54/38/11/638543811.db2.gz XADDTDIQIBJWIA-UHFFFAOYSA-N 1 1 256.393 3.496 20 30 CGEDMO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2Nc1cccc(OCCCC#N)c1 ZINC000925754666 638598276 /nfs/dbraw/zinc/59/82/76/638598276.db2.gz JGUFMNBNZJWOMD-MVVMVCHASA-N 1 1 299.418 3.121 20 30 CGEDMO C=CC[C@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)c1ccncc1 ZINC000858139255 638640711 /nfs/dbraw/zinc/64/07/11/638640711.db2.gz QWFLELKBVYCSTP-HOTGVXAUSA-N 1 1 273.424 3.161 20 30 CGEDMO C=CC[C@H]([NH2+][C@H]1CCN(C)C(C)(C)C1)c1ccncc1 ZINC000858139255 638640726 /nfs/dbraw/zinc/64/07/26/638640726.db2.gz QWFLELKBVYCSTP-HOTGVXAUSA-N 1 1 273.424 3.161 20 30 CGEDMO C#CC[NH2+][C@@H](C)c1cc(F)c(Br)cc1F ZINC000858345278 638687963 /nfs/dbraw/zinc/68/79/63/638687963.db2.gz ABCJFMZGBBLEDA-ZETCQYMHSA-N 1 1 274.108 3.011 20 30 CGEDMO C[C@@H](CC(C)(C)C#N)[NH2+]CC1(CN(C)C)CCCC1 ZINC000926167434 638727986 /nfs/dbraw/zinc/72/79/86/638727986.db2.gz OBUSANUYZCONOU-AWEZNQCLSA-N 1 1 265.445 3.026 20 30 CGEDMO C#C[C@H]([NH2+][C@@H](C)c1cc(-c2ccccc2)no1)[C@@H]1CCCO1 ZINC000926210896 638741801 /nfs/dbraw/zinc/74/18/01/638741801.db2.gz QRHDXPGLUJMNPH-QRTARXTBSA-N 1 1 296.370 3.173 20 30 CGEDMO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H](C)c1c(F)cncc1F ZINC000926417748 638769200 /nfs/dbraw/zinc/76/92/00/638769200.db2.gz IAECXEXJGXEFNT-UWVGGRQHSA-N 1 1 267.323 3.339 20 30 CGEDMO C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1cc(CO)on1 ZINC000926480117 638775203 /nfs/dbraw/zinc/77/52/03/638775203.db2.gz OPRXLQLBARPNDO-CJNGLKHVSA-N 1 1 299.374 3.253 20 30 CGEDMO Cc1ncc(C[N@@H+](C)CC2CCC(C#N)CC2)s1 ZINC000929286808 638915572 /nfs/dbraw/zinc/91/55/72/638915572.db2.gz GBIILOBZWOLVEO-UHFFFAOYSA-N 1 1 263.410 3.213 20 30 CGEDMO N#CC[C@@H](O)C[N@@H+](Cc1ccccc1F)C1CCCCC1 ZINC000929523049 638930325 /nfs/dbraw/zinc/93/03/25/638930325.db2.gz GYQCPIPORFVLLQ-MRXNPFEDSA-N 1 1 290.382 3.235 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCCOC(C)(C)C1 ZINC000929666434 638939104 /nfs/dbraw/zinc/93/91/04/638939104.db2.gz BCKRWOIRCMFMGY-UHFFFAOYSA-N 1 1 272.392 3.176 20 30 CGEDMO C[C@@H]1CSCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000929689460 638941276 /nfs/dbraw/zinc/94/12/76/638941276.db2.gz VQPNEVSPDXHOHV-CYBMUJFWSA-N 1 1 252.427 3.288 20 30 CGEDMO N#CC1CCC(CN2CCC[N@H+](C3CCCC3)CC2)CC1 ZINC000929690819 638941442 /nfs/dbraw/zinc/94/14/42/638941442.db2.gz WIFZXWONIWCQMV-UHFFFAOYSA-N 1 1 289.467 3.267 20 30 CGEDMO N#CC1CCC(C[N@@H+]2CCCN(C3CCCC3)CC2)CC1 ZINC000929690819 638941443 /nfs/dbraw/zinc/94/14/43/638941443.db2.gz WIFZXWONIWCQMV-UHFFFAOYSA-N 1 1 289.467 3.267 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCCN(C3CCCC3)CC2)CC1 ZINC000929690819 638941444 /nfs/dbraw/zinc/94/14/44/638941444.db2.gz WIFZXWONIWCQMV-UHFFFAOYSA-N 1 1 289.467 3.267 20 30 CGEDMO C[C@H]1CSCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000929689461 638941500 /nfs/dbraw/zinc/94/15/00/638941500.db2.gz VQPNEVSPDXHOHV-ZDUSSCGKSA-N 1 1 252.427 3.288 20 30 CGEDMO Cc1nc(C(C)(C)[NH2+]Cc2cncc(C#N)c2)sc1C ZINC000930010717 638968390 /nfs/dbraw/zinc/96/83/90/638968390.db2.gz WLXJYWSFFZYVGK-UHFFFAOYSA-N 1 1 286.404 3.052 20 30 CGEDMO C[C@@H](O)C[C@H]1CCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000930081245 638972670 /nfs/dbraw/zinc/97/26/70/638972670.db2.gz ITSMBHOJPRELIU-HUUCEWRRSA-N 1 1 264.413 3.086 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)[C@H](C)[C@H](C)O1 ZINC000930251008 638986216 /nfs/dbraw/zinc/98/62/16/638986216.db2.gz HYCQMDQDJHOYIY-KFWWJZLASA-N 1 1 264.413 3.348 20 30 CGEDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000930266950 638986777 /nfs/dbraw/zinc/98/67/77/638986777.db2.gz DDAODASQFQBGDT-WBMJQRKESA-N 1 1 292.810 3.337 20 30 CGEDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4c(C)cc(C#N)cc4C)[C@H]1[C@H]3C2 ZINC000930454901 639001253 /nfs/dbraw/zinc/00/12/53/639001253.db2.gz ZUBKAVWDHFTZBF-BGJMDTOESA-N 1 1 296.414 3.030 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@H+](C)Cc2occc2C)cc1 ZINC000930555043 639024340 /nfs/dbraw/zinc/02/43/40/639024340.db2.gz SGPSXDBYTSVKKP-UHFFFAOYSA-N 1 1 296.370 3.030 20 30 CGEDMO C[N@@H+](CC1CCC(C#N)CC1)[C@H](CO)CC(C)(C)C ZINC000930649604 639045573 /nfs/dbraw/zinc/04/55/73/639045573.db2.gz HXNRLHVODZNHQM-NRXISQOPSA-N 1 1 266.429 3.045 20 30 CGEDMO C[N@@H+](CC1CCC(C#N)CC1)[C@@H](CO)CC(C)(C)C ZINC000930649610 639045660 /nfs/dbraw/zinc/04/56/60/639045660.db2.gz HXNRLHVODZNHQM-YMAMQOFZSA-N 1 1 266.429 3.045 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](O)CC23CCC3)c1 ZINC000930755367 639064663 /nfs/dbraw/zinc/06/46/63/639064663.db2.gz MMIHZPNSFDMFRN-HNNXBMFYSA-N 1 1 290.794 3.091 20 30 CGEDMO Cc1cccc(C)c1C[N@@H+](CC(C)C)C[C@H](O)CC#N ZINC000930813938 639071589 /nfs/dbraw/zinc/07/15/89/639071589.db2.gz GCVSBCYZDBLYDC-MRXNPFEDSA-N 1 1 274.408 3.036 20 30 CGEDMO CC[N@@H+](CCCCC1(C#N)CCC1)[C@@H]1CCCOC1 ZINC000930851821 639076066 /nfs/dbraw/zinc/07/60/66/639076066.db2.gz BCOHDCGHGFTUOR-OAHLLOKOSA-N 1 1 264.413 3.351 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](C2CC(OCc3ccccc3)C2)C1 ZINC000930884225 639081635 /nfs/dbraw/zinc/08/16/35/639081635.db2.gz AJIPYGOTRUUOQH-FAEJEUNOSA-N 1 1 269.388 3.079 20 30 CGEDMO C=CC[N@@H+](C[C@@H]1CC[C@@H](C(F)(F)F)O1)C(C)(C)C ZINC000931017216 639098194 /nfs/dbraw/zinc/09/81/94/639098194.db2.gz NXUIATCYEAGMGQ-QWRGUYRKSA-N 1 1 265.319 3.383 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@@H]1c1ncccn1 ZINC000931054447 639103753 /nfs/dbraw/zinc/10/37/53/639103753.db2.gz GCIXDIWIPNAOPF-QGZVFWFLSA-N 1 1 292.386 3.302 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H]1c1ncccn1 ZINC000931054447 639103755 /nfs/dbraw/zinc/10/37/55/639103755.db2.gz GCIXDIWIPNAOPF-QGZVFWFLSA-N 1 1 292.386 3.302 20 30 CGEDMO C[C@@H]1COC2(CCCC2)C[N@H+]1CC1CCC(C#N)CC1 ZINC000931056434 639103902 /nfs/dbraw/zinc/10/39/02/639103902.db2.gz LVRIFYFQOQVJOA-QQFBHYJXSA-N 1 1 276.424 3.350 20 30 CGEDMO C=CCCCC[N@@H+](C)c1ccc(N2CCOCC2)cc1 ZINC000859384409 639134866 /nfs/dbraw/zinc/13/48/66/639134866.db2.gz GDZVOMQNPWWOFM-UHFFFAOYSA-N 1 1 274.408 3.316 20 30 CGEDMO C=CCCCC[N@H+](C)c1ccc(N2CCOCC2)cc1 ZINC000859384409 639134870 /nfs/dbraw/zinc/13/48/70/639134870.db2.gz GDZVOMQNPWWOFM-UHFFFAOYSA-N 1 1 274.408 3.316 20 30 CGEDMO CCC(O)(CC)C[N@@H+](C)CCCCC1(C#N)CCC1 ZINC000931333154 639136307 /nfs/dbraw/zinc/13/63/07/639136307.db2.gz VULHQVCCJSRYER-UHFFFAOYSA-N 1 1 266.429 3.333 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2cccc3nsnc32)C1 ZINC000859445558 639143378 /nfs/dbraw/zinc/14/33/78/639143378.db2.gz QIBZLTADWCNBFK-NSHDSACASA-N 1 1 259.378 3.089 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000859446436 639143346 /nfs/dbraw/zinc/14/33/46/639143346.db2.gz ZWZNNWLZBVTNNG-ABAIWWIYSA-N 1 1 283.774 3.411 20 30 CGEDMO C#CCCC[N@H+](CCOCC)[C@@H]1CCc2ccccc21 ZINC000859830380 639232760 /nfs/dbraw/zinc/23/27/60/639232760.db2.gz TZQVTFYBYASZAP-GOSISDBHSA-N 1 1 271.404 3.426 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CCCC3(CC3)CC2)cc1 ZINC000860069520 639277770 /nfs/dbraw/zinc/27/77/70/639277770.db2.gz JVHVRXBTIGSKCU-UHFFFAOYSA-N 1 1 270.376 3.355 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](C[C@H]2CCc3ccccc3C2)C1 ZINC000932153683 639278476 /nfs/dbraw/zinc/27/84/76/639278476.db2.gz QLKKKKKNCTYAGQ-LSDHHAIUSA-N 1 1 254.377 3.027 20 30 CGEDMO C#CC[N@H+](CC(=O)Nc1ccccc1C(C)C)C(C)C ZINC000932393929 639325175 /nfs/dbraw/zinc/32/51/75/639325175.db2.gz KRBJKEYQIGJONA-UHFFFAOYSA-N 1 1 272.392 3.092 20 30 CGEDMO C#CC[N@@H+](CC(=O)Nc1ccccc1C(C)C)C(C)C ZINC000932393929 639325184 /nfs/dbraw/zinc/32/51/84/639325184.db2.gz KRBJKEYQIGJONA-UHFFFAOYSA-N 1 1 272.392 3.092 20 30 CGEDMO C#CC[N@H+](Cc1csc(-c2ccccn2)n1)C(C)(C)C ZINC000932464917 639337975 /nfs/dbraw/zinc/33/79/75/639337975.db2.gz UKCRFOTYXOBMOU-UHFFFAOYSA-N 1 1 285.416 3.439 20 30 CGEDMO C#CC[N@@H+](Cc1csc(-c2ccccn2)n1)C(C)(C)C ZINC000932464917 639337981 /nfs/dbraw/zinc/33/79/81/639337981.db2.gz UKCRFOTYXOBMOU-UHFFFAOYSA-N 1 1 285.416 3.439 20 30 CGEDMO C#CC[N@@H+](Cc1ncccc1C(F)(F)F)C(C)(C)C ZINC000932461557 639338275 /nfs/dbraw/zinc/33/82/75/639338275.db2.gz GJGOPDHQGBQICK-UHFFFAOYSA-N 1 1 270.298 3.334 20 30 CGEDMO Cc1csc(C[C@H]2CC[N@@H+](CCCCC#N)C2)n1 ZINC000933131669 639421350 /nfs/dbraw/zinc/42/13/50/639421350.db2.gz QLNMUOVHOCYLAJ-CYBMUJFWSA-N 1 1 263.410 3.010 20 30 CGEDMO C#CCC1([NH2+]Cc2nc(CCCC)no2)CCCCC1 ZINC000933268235 639434234 /nfs/dbraw/zinc/43/42/34/639434234.db2.gz UBQWRWFUQUOWAT-UHFFFAOYSA-N 1 1 275.396 3.228 20 30 CGEDMO CC(C)SCC[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933628017 639471354 /nfs/dbraw/zinc/47/13/54/639471354.db2.gz INBTZTPUOXVHFI-MRXNPFEDSA-N 1 1 290.432 3.073 20 30 CGEDMO CC(C)SCC[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933628017 639471362 /nfs/dbraw/zinc/47/13/62/639471362.db2.gz INBTZTPUOXVHFI-MRXNPFEDSA-N 1 1 290.432 3.073 20 30 CGEDMO C=CC(C)(C)NC(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC000934095397 639540185 /nfs/dbraw/zinc/54/01/85/639540185.db2.gz LIQMKJQJMHJVRO-UHFFFAOYSA-N 1 1 288.395 3.158 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CC[C@H](Cc3nccs3)C2)cc1 ZINC000934331772 639587136 /nfs/dbraw/zinc/58/71/36/639587136.db2.gz OKGLNWAANHPRQB-MRXNPFEDSA-N 1 1 297.427 3.122 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000934465596 639613412 /nfs/dbraw/zinc/61/34/12/639613412.db2.gz DPGMQJLHDDNZFH-INIZCTEOSA-N 1 1 295.382 3.432 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1CCC(=O)Nc1ccccc1SC ZINC000934464962 639614223 /nfs/dbraw/zinc/61/42/23/639614223.db2.gz BDSALXQKOXYYEZ-CYBMUJFWSA-N 1 1 290.432 3.388 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000934468841 639614872 /nfs/dbraw/zinc/61/48/72/639614872.db2.gz KVLJMIGZJPWQFJ-DZGCQCFKSA-N 1 1 283.375 3.372 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000934468841 639614877 /nfs/dbraw/zinc/61/48/77/639614877.db2.gz KVLJMIGZJPWQFJ-DZGCQCFKSA-N 1 1 283.375 3.372 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1ccccc1OCC ZINC000934473035 639617289 /nfs/dbraw/zinc/61/72/89/639617289.db2.gz VWPJELNILMTWMT-UONOGXRCSA-N 1 1 288.391 3.063 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1ccccc1OCC ZINC000934473035 639617298 /nfs/dbraw/zinc/61/72/98/639617298.db2.gz VWPJELNILMTWMT-UONOGXRCSA-N 1 1 288.391 3.063 20 30 CGEDMO C=CCCC[N@@H+](CC)Cc1csc(N(CC)C(C)=O)n1 ZINC000934649296 639650875 /nfs/dbraw/zinc/65/08/75/639650875.db2.gz QKDLPCMGRLSFRJ-UHFFFAOYSA-N 1 1 295.452 3.304 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1csc(N(CC)C(C)=O)n1 ZINC000934649296 639650884 /nfs/dbraw/zinc/65/08/84/639650884.db2.gz QKDLPCMGRLSFRJ-UHFFFAOYSA-N 1 1 295.452 3.304 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000934778275 639673260 /nfs/dbraw/zinc/67/32/60/639673260.db2.gz NDUKDYMEEUUTRK-MAZHCROVSA-N 1 1 272.417 3.304 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000934831431 639682807 /nfs/dbraw/zinc/68/28/07/639682807.db2.gz IOXAHKDAZLYQGQ-MSOLQXFVSA-N 1 1 284.403 3.197 20 30 CGEDMO C=C(Br)C[N@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000934837144 639686283 /nfs/dbraw/zinc/68/62/83/639686283.db2.gz RONSZWHQIVCKKC-QWHCGFSZSA-N 1 1 288.229 3.034 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000934886054 639702699 /nfs/dbraw/zinc/70/26/99/639702699.db2.gz CINXXWQTOJBLCG-SUMWQHHRSA-N 1 1 299.418 3.324 20 30 CGEDMO C#Cc1ccc(NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000934936931 639719264 /nfs/dbraw/zinc/71/92/64/639719264.db2.gz UXHVXGQCMHDQOK-KRWDZBQOSA-N 1 1 299.418 3.006 20 30 CGEDMO CCC[C@@]1(C)CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000156601067 639981461 /nfs/dbraw/zinc/98/14/61/639981461.db2.gz XIZNJBLAFRGTCW-ROUUACIJSA-N 1 1 286.419 3.494 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+](CCC#N)CC(C)C ZINC000159206332 640034917 /nfs/dbraw/zinc/03/49/17/640034917.db2.gz ACDJZVWZGXUNJB-UHFFFAOYSA-N 1 1 255.365 3.238 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+](CCC#N)CC(C)C ZINC000159206332 640034923 /nfs/dbraw/zinc/03/49/23/640034923.db2.gz ACDJZVWZGXUNJB-UHFFFAOYSA-N 1 1 255.365 3.238 20 30 CGEDMO CC[N@H+](Cc1ccccc1C#N)C[C@H](O)c1ccc(C)cc1 ZINC000076016138 640166730 /nfs/dbraw/zinc/16/67/30/640166730.db2.gz OMSZKTYEWYPEBE-IBGZPJMESA-N 1 1 294.398 3.422 20 30 CGEDMO C=CCCC[N@@H+](C)Cn1c(C)c(C)n(CCOC)c1=S ZINC000076664891 640208103 /nfs/dbraw/zinc/20/81/03/640208103.db2.gz PYJBNSMZFFGLLF-UHFFFAOYSA-N 1 1 297.468 3.138 20 30 CGEDMO C=CCCC[N@H+](C)Cn1c(C)c(C)n(CCOC)c1=S ZINC000076664891 640208107 /nfs/dbraw/zinc/20/81/07/640208107.db2.gz PYJBNSMZFFGLLF-UHFFFAOYSA-N 1 1 297.468 3.138 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCS[C@@H](C)[C@H]2C)cc1 ZINC000245754752 640635693 /nfs/dbraw/zinc/63/56/93/640635693.db2.gz OKJFBSMWZHLLFH-MCIONIFRSA-N 1 1 290.432 3.303 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](C)[C@@H]2C)cc1 ZINC000246096482 640656750 /nfs/dbraw/zinc/65/67/50/640656750.db2.gz IYQWBDUZWULPMK-MJBXVCDLSA-N 1 1 258.365 3.208 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)C2=CCCCCC2)C1 ZINC001007191977 640675600 /nfs/dbraw/zinc/67/56/00/640675600.db2.gz AGPAHJPWYQVEPI-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C#CC[N@@H+](CCO[C@H]1CCCCO1)[C@H]1CCc2ccccc21 ZINC000249728303 640806944 /nfs/dbraw/zinc/80/69/44/640806944.db2.gz VBPAMCVCJPBIHX-OALUTQOASA-N 1 1 299.414 3.152 20 30 CGEDMO CCN(CCNC(=[NH2+])Nc1cccc(C(C)C)c1)C(C)C ZINC000303979182 640853178 /nfs/dbraw/zinc/85/31/78/640853178.db2.gz MUKFSMDVPPIXHC-UHFFFAOYSA-N 1 1 290.455 3.267 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)ccc2C2CC2)C1 ZINC001008052913 640946279 /nfs/dbraw/zinc/94/62/79/640946279.db2.gz PTDRZGFOKUARDP-MRXNPFEDSA-N 1 1 298.430 3.253 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](CCC(C)(C)C)C2)C1 ZINC001008465177 640952253 /nfs/dbraw/zinc/95/22/53/640952253.db2.gz POGZLGMMAGNEGX-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2cc(C)c(C)s2)C1 ZINC001009451263 640958878 /nfs/dbraw/zinc/95/88/78/640958878.db2.gz ZIMPAPCQEOTSFJ-AWEZNQCLSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C2CCC(C)(C)CC2)C1 ZINC001009669165 640961597 /nfs/dbraw/zinc/96/15/97/640961597.db2.gz QXNRTNXYQBMDJF-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)C=C2CCCCC2)C1 ZINC001010346722 640967372 /nfs/dbraw/zinc/96/73/72/640967372.db2.gz CLNYCORFTQBQNG-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccsc1 ZINC001017333068 641011348 /nfs/dbraw/zinc/01/13/48/641011348.db2.gz GAVDHPFYLBPLOW-GASCZTMLSA-N 1 1 290.432 3.003 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CCCCCC1 ZINC001017500723 641013179 /nfs/dbraw/zinc/01/31/79/641013179.db2.gz GGESZIZSCZQEEC-CALCHBBNSA-N 1 1 288.435 3.128 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)ccc1C ZINC001018214138 641021219 /nfs/dbraw/zinc/02/12/19/641021219.db2.gz AKTUQKQOLTXZCV-CALCHBBNSA-N 1 1 298.430 3.168 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)C1CC1 ZINC001018321019 641022334 /nfs/dbraw/zinc/02/23/34/641022334.db2.gz VEFJQMZTTJZTTH-OIISXLGYSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)CCCC(C)C ZINC001155412599 805580552 /nfs/dbraw/zinc/58/05/52/805580552.db2.gz KHWGPPWNBOLFNG-CQSZACIVSA-N 1 1 288.863 3.392 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)CCCC(C)C ZINC001155412599 805580558 /nfs/dbraw/zinc/58/05/58/805580558.db2.gz KHWGPPWNBOLFNG-CQSZACIVSA-N 1 1 288.863 3.392 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)c1cccc(C)c1 ZINC001155514659 805587510 /nfs/dbraw/zinc/58/75/10/805587510.db2.gz OHGKBKJSPZLAPQ-HZPDHXFCSA-N 1 1 288.435 3.111 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)CC(C)(C)C ZINC001155644921 805598827 /nfs/dbraw/zinc/59/88/27/805598827.db2.gz RSMBRHVKWYBRMR-UONOGXRCSA-N 1 1 268.445 3.071 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)CC(C)C ZINC001156040600 805644503 /nfs/dbraw/zinc/64/45/03/805644503.db2.gz CZPGRSLEQIIGDQ-TZMCWYRMSA-N 1 1 288.863 3.248 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)CC(C)C ZINC001156040600 805644507 /nfs/dbraw/zinc/64/45/07/805644507.db2.gz CZPGRSLEQIIGDQ-TZMCWYRMSA-N 1 1 288.863 3.248 20 30 CGEDMO CC(C)c1ccc(C#N)c(NCC[C@H]2CCC[N@@H+](C)C2)n1 ZINC001156381978 805681580 /nfs/dbraw/zinc/68/15/80/805681580.db2.gz YPLNJBBWLSZBHC-CQSZACIVSA-N 1 1 286.423 3.220 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](CC)CCCCC ZINC001157041617 805767910 /nfs/dbraw/zinc/76/79/10/805767910.db2.gz PXJIPEALJNYKFL-HZPDHXFCSA-N 1 1 280.456 3.053 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1ccoc1C(C)C ZINC001157196750 805788919 /nfs/dbraw/zinc/78/89/19/805788919.db2.gz WMVNZWVTLKJBMP-CQSZACIVSA-N 1 1 292.423 3.419 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CC1CC1 ZINC001157428277 805810474 /nfs/dbraw/zinc/81/04/74/805810474.db2.gz VMANSWALAUTJPM-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO N#CCCCCNc1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001157640922 805844023 /nfs/dbraw/zinc/84/40/23/805844023.db2.gz FMZVUELFTSAJOS-UHFFFAOYSA-N 1 1 292.814 3.437 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@@H]1C[N@H+](C)C[C@H](C)CC ZINC001157662122 805847091 /nfs/dbraw/zinc/84/70/91/805847091.db2.gz YGGXZFRTZYTFBO-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1cscc1C ZINC001157768222 805866805 /nfs/dbraw/zinc/86/68/05/805866805.db2.gz CAOBYBSJRRRNKC-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CCC1CCC1 ZINC001157775878 805868396 /nfs/dbraw/zinc/86/83/96/805868396.db2.gz ZYELFBQGPKZKOY-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)C=C1CCC1 ZINC001157790014 805871084 /nfs/dbraw/zinc/87/10/84/805871084.db2.gz CFIHFMCXRQZVSA-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCN(c1nc(N(C)CC)cc[nH+]1)C1CCCCC1 ZINC001157847600 805887535 /nfs/dbraw/zinc/88/75/35/805887535.db2.gz CHTAEMLCAGHKGQ-UHFFFAOYSA-N 1 1 274.412 3.258 20 30 CGEDMO Cc1ccc(CC#N)c(N[C@@H]2CCCC(F)(F)C2)[nH+]1 ZINC001158335026 805940984 /nfs/dbraw/zinc/94/09/84/805940984.db2.gz FNOLAHKHZFCYOI-GFCCVEGCSA-N 1 1 265.307 3.446 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)C1CCC(F)CC1 ZINC001158433890 805955527 /nfs/dbraw/zinc/95/55/27/805955527.db2.gz BTCBXEDLJXBKKD-UYSNPLJNSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCCC(C)C ZINC001158518731 805962226 /nfs/dbraw/zinc/96/22/26/805962226.db2.gz LIDSEHDNPPCSFA-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO Cc1ccc(CC#N)c(NC[C@H](C)c2ccc(O)cc2)[nH+]1 ZINC001158608246 805974440 /nfs/dbraw/zinc/97/44/40/805974440.db2.gz XLFFUHDUDRMUAU-LBPRGKRZSA-N 1 1 281.359 3.377 20 30 CGEDMO Cc1ccc(CC#N)c(NC23CCC(C#N)(CC2)CC3)[nH+]1 ZINC001158788780 806003509 /nfs/dbraw/zinc/00/35/09/806003509.db2.gz NAACDRKVGZZVCD-UHFFFAOYSA-N 1 1 280.375 3.485 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CC[C@@]2(CCCO2)C1 ZINC001252124143 806011207 /nfs/dbraw/zinc/01/12/07/806011207.db2.gz OXOWEWOFKAONGL-IRXDYDNUSA-N 1 1 283.456 3.353 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+]1CCC[C@H](N(C)C)C1 ZINC001252127539 806012650 /nfs/dbraw/zinc/01/26/50/806012650.db2.gz BFEAFHKMCAKBSH-IRXDYDNUSA-N 1 1 284.488 3.124 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@H](N(C)C)C1 ZINC001252127539 806012659 /nfs/dbraw/zinc/01/26/59/806012659.db2.gz BFEAFHKMCAKBSH-IRXDYDNUSA-N 1 1 284.488 3.124 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+](C)Cc1ccon1 ZINC001252130048 806014959 /nfs/dbraw/zinc/01/49/59/806014959.db2.gz JOYRPCGWHQSOEE-HNNXBMFYSA-N 1 1 268.401 3.218 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+](C)Cc1ccon1 ZINC001252130048 806014969 /nfs/dbraw/zinc/01/49/69/806014969.db2.gz JOYRPCGWHQSOEE-HNNXBMFYSA-N 1 1 268.401 3.218 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCOC[C@@H]1C1CC1 ZINC001252133775 806020373 /nfs/dbraw/zinc/02/03/73/806020373.db2.gz SIJZVGMULIFGOV-DLBZAZTESA-N 1 1 283.456 3.209 20 30 CGEDMO C=CCOC[C@H](O)C[N@H+](C)C1CCC(C(C)(C)C)CC1 ZINC001252471597 806049319 /nfs/dbraw/zinc/04/93/19/806049319.db2.gz ZLGWTAFFLIBYIM-UYSNPLJNSA-N 1 1 283.456 3.087 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC001252554788 806061927 /nfs/dbraw/zinc/06/19/27/806061927.db2.gz LTRAWBWUOKUJBX-CABCVRRESA-N 1 1 265.784 3.414 20 30 CGEDMO C=C[C@@](C)(O)C[N@@H+](C)CCc1ccc(C(F)(F)F)cc1 ZINC001252562465 806068259 /nfs/dbraw/zinc/06/82/59/806068259.db2.gz SCTTZMHTLDAESN-CQSZACIVSA-N 1 1 287.325 3.117 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC001252558162 806063607 /nfs/dbraw/zinc/06/36/07/806063607.db2.gz NBBOTXVQQCRISY-CABCVRRESA-N 1 1 267.319 3.039 20 30 CGEDMO C=C[C@@](C)(O)C[N@@H+](C)Cc1cccc(Cl)c1Cl ZINC001252555260 806064190 /nfs/dbraw/zinc/06/41/90/806064190.db2.gz QXZPEMXQNRBMBI-CYBMUJFWSA-N 1 1 274.191 3.362 20 30 CGEDMO C=C[C@@](C)(O)C[N@@H+](CC)Cc1cccc(Br)c1 ZINC001252556121 806064469 /nfs/dbraw/zinc/06/44/69/806064469.db2.gz AUMYLDSYIKGYSB-CQSZACIVSA-N 1 1 298.224 3.208 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+]1CCC[C@@H]1c1c(F)cccc1F ZINC001252557734 806064927 /nfs/dbraw/zinc/06/49/27/806064927.db2.gz KHHJBWLTQZMDKW-UKRRQHHQSA-N 1 1 267.319 3.039 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@H](C)CC)CC1 ZINC001159325773 806083237 /nfs/dbraw/zinc/08/32/37/806083237.db2.gz NSYLONJHTFZLCL-OAHLLOKOSA-N 1 1 278.440 3.137 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC001252978986 806143495 /nfs/dbraw/zinc/14/34/95/806143495.db2.gz HTZVEGNQZDYRBV-BBWFWOEESA-N 1 1 285.472 3.191 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[NH2+]Cc1c[nH]cn1 ZINC001252978983 806144043 /nfs/dbraw/zinc/14/40/43/806144043.db2.gz HTUIDLMRBAZGPZ-MRXNPFEDSA-N 1 1 281.444 3.391 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC2(C)C)CC1 ZINC001159836119 806183740 /nfs/dbraw/zinc/18/37/40/806183740.db2.gz UIXGKDFTRFGTEI-MRXNPFEDSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CC[C@@]2(CCCO2)C1 ZINC001253235798 806188945 /nfs/dbraw/zinc/18/89/45/806188945.db2.gz ODCQCANVLAGCCL-SJORKVTESA-N 1 1 281.440 3.129 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCC2(C1)CCOCC2 ZINC001253239812 806189754 /nfs/dbraw/zinc/18/97/54/806189754.db2.gz SXAUECZEOXPAGU-QGZVFWFLSA-N 1 1 295.467 3.376 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CC[C@@H](N2CCCC2)C1 ZINC001253239992 806190674 /nfs/dbraw/zinc/19/06/74/806190674.db2.gz WVYGMHVNHTXQSR-QZTJIDSGSA-N 1 1 294.483 3.044 20 30 CGEDMO C=CCCCCCC[C@@H](O)CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC001253239992 806190679 /nfs/dbraw/zinc/19/06/79/806190679.db2.gz WVYGMHVNHTXQSR-QZTJIDSGSA-N 1 1 294.483 3.044 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC001253241519 806191888 /nfs/dbraw/zinc/19/18/88/806191888.db2.gz XJIKGRSVNJLMDV-MSOLQXFVSA-N 1 1 295.467 3.376 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@H](C(C)=O)C1 ZINC001253241625 806192030 /nfs/dbraw/zinc/19/20/30/806192030.db2.gz YHQZAOXDLBKIPM-IRXDYDNUSA-N 1 1 281.440 3.175 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+](C)Cc1cnc(C)nc1 ZINC001253241300 806192218 /nfs/dbraw/zinc/19/22/18/806192218.db2.gz TXYZNDGSUJPPGM-KRWDZBQOSA-N 1 1 291.439 3.104 20 30 CGEDMO C#CC[N@@H+](Cc1nc2c(cccc2F)n1CC)CC1CC1 ZINC001253562819 806259774 /nfs/dbraw/zinc/25/97/74/806259774.db2.gz DUDPSZZAHMMBFO-UHFFFAOYSA-N 1 1 285.366 3.041 20 30 CGEDMO C#CC[N@H+](Cc1nc2c(cccc2F)n1CC)CC1CC1 ZINC001253562819 806259775 /nfs/dbraw/zinc/25/97/75/806259775.db2.gz DUDPSZZAHMMBFO-UHFFFAOYSA-N 1 1 285.366 3.041 20 30 CGEDMO CC(C)C[C@H](C#N)Nc1ccc(C[N@@H+](C)C2CC2)cn1 ZINC001160365972 806263634 /nfs/dbraw/zinc/26/36/34/806263634.db2.gz TXXMWXYQRUMNTJ-CQSZACIVSA-N 1 1 272.396 3.026 20 30 CGEDMO C=C[C@@H](O)C[N@@H+]1CC[C@H](c2ccc(OC(C)(C)C)cc2)C1 ZINC001253590586 806267150 /nfs/dbraw/zinc/26/71/50/806267150.db2.gz WMOSIOVZMIFZAY-JKSUJKDBSA-N 1 1 289.419 3.200 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)C[C@@H]2C=CCCC2)CC1 ZINC001160466098 806275156 /nfs/dbraw/zinc/27/51/56/806275156.db2.gz AUGLVVNGTPLFCT-QGZVFWFLSA-N 1 1 288.435 3.057 20 30 CGEDMO C=C[C@H](C)[C@@H](C)C(=O)NCCC1=CC[N@@H+](CC(C)C)CC1 ZINC001160941821 806326152 /nfs/dbraw/zinc/32/61/52/806326152.db2.gz QQDFKCKCTINNGV-JKSUJKDBSA-N 1 1 292.467 3.239 20 30 CGEDMO CCCCOC(=O)CC[C@H](C)[N@H+]1CCC[C@H](CC#N)C1 ZINC001257399520 807137042 /nfs/dbraw/zinc/13/70/42/807137042.db2.gz DAVQOGALRROCLP-LSDHHAIUSA-N 1 1 280.412 3.124 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@H]2CC)CC1 ZINC001161125791 806351351 /nfs/dbraw/zinc/35/13/51/806351351.db2.gz AUQOGMHYJDOHQW-SJORKVTESA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)C2(C(C)C)CC2)CC1 ZINC001161177591 806353511 /nfs/dbraw/zinc/35/35/11/806353511.db2.gz BMQYSNZXZHKBEB-UHFFFAOYSA-N 1 1 290.451 3.137 20 30 CGEDMO CCOc1ccc(C[N@@H+](C)CCC(C)(C)C#N)cc1OC ZINC001254211028 806366431 /nfs/dbraw/zinc/36/64/31/806366431.db2.gz GDEZEWOOERCSIC-UHFFFAOYSA-N 1 1 290.407 3.466 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)C[C@@H](CC)C(C)C)CC1 ZINC001161729253 806438795 /nfs/dbraw/zinc/43/87/95/806438795.db2.gz QABSUKHWCODELU-QGZVFWFLSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cc3ccccc3nc2OC)C1 ZINC001254646236 806469752 /nfs/dbraw/zinc/46/97/52/806469752.db2.gz XQIKWGFJBPFJQC-MRXNPFEDSA-N 1 1 298.386 3.020 20 30 CGEDMO CCCCCCCC[N@H+](CCN)[C@@H]1CC[C@@H](C#N)C1 ZINC001254647568 806471896 /nfs/dbraw/zinc/47/18/96/806471896.db2.gz UOQDGKBHXUEIPI-HZPDHXFCSA-N 1 1 265.445 3.300 20 30 CGEDMO CCCCCCCC[N@@H+](CCN)[C@@H]1CC[C@@H](C#N)C1 ZINC001254647568 806471901 /nfs/dbraw/zinc/47/19/01/806471901.db2.gz UOQDGKBHXUEIPI-HZPDHXFCSA-N 1 1 265.445 3.300 20 30 CGEDMO C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)[C@@H](C)CN1Cc1ccccc1 ZINC001254660725 806478506 /nfs/dbraw/zinc/47/85/06/806478506.db2.gz LHOJKZMQEVSADS-KCITZHQASA-N 1 1 297.446 3.273 20 30 CGEDMO C[C@@H]1CN([C@@H]2CC[C@H](C#N)C2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001254660725 806478512 /nfs/dbraw/zinc/47/85/12/806478512.db2.gz LHOJKZMQEVSADS-KCITZHQASA-N 1 1 297.446 3.273 20 30 CGEDMO C[C@@H]1CN([C@@H]2CC[C@H](C#N)C2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001254660725 806478517 /nfs/dbraw/zinc/47/85/17/806478517.db2.gz LHOJKZMQEVSADS-KCITZHQASA-N 1 1 297.446 3.273 20 30 CGEDMO C[N@@H+](Cc1ccccc1)C1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254668806 806479343 /nfs/dbraw/zinc/47/93/43/806479343.db2.gz LFNKVWYLIJXAML-PKOBYXMFSA-N 1 1 297.446 3.275 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](Oc3cc(F)ccc3F)C2)C1 ZINC001254669122 806479878 /nfs/dbraw/zinc/47/98/78/806479878.db2.gz ONZINZFRHUVTCV-MRVWCRGKSA-N 1 1 292.329 3.110 20 30 CGEDMO Cc1ccc([C@@H]2CCC[N@H+]2[C@H]2CC[C@@H](C#N)C2)cn1 ZINC001254672464 806482233 /nfs/dbraw/zinc/48/22/33/806482233.db2.gz BKXRYDYCXUDJGA-KBMXLJTQSA-N 1 1 255.365 3.219 20 30 CGEDMO CC[C@H](C#N)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255132151 806550229 /nfs/dbraw/zinc/55/02/29/806550229.db2.gz RZHYTCWKZRFQMO-ZJPYXAASSA-N 1 1 283.419 3.074 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(N2CCCCCC2=O)cc1 ZINC001255160670 806559221 /nfs/dbraw/zinc/55/92/21/806559221.db2.gz NHKUOUNIYRHZOJ-MRXNPFEDSA-N 1 1 299.418 3.375 20 30 CGEDMO CC[C@H](CC#N)[NH+]1CCC(Oc2ccccc2)CC1 ZINC001255165010 806563600 /nfs/dbraw/zinc/56/36/00/806563600.db2.gz RNRBLWOWFLZOQX-CQSZACIVSA-N 1 1 258.365 3.222 20 30 CGEDMO CC[C@@H](CC#N)[N@@H+]1CCC[C@H]1c1cccc(C(=O)OC)c1 ZINC001255177807 806569932 /nfs/dbraw/zinc/56/99/32/806569932.db2.gz WZTCSEMBCJQHKU-HOTGVXAUSA-N 1 1 286.375 3.302 20 30 CGEDMO CC[C@@H](CC#N)[N@H+]1CCC[C@H]1c1cccc(C(=O)OC)c1 ZINC001255177807 806569939 /nfs/dbraw/zinc/56/99/39/806569939.db2.gz WZTCSEMBCJQHKU-HOTGVXAUSA-N 1 1 286.375 3.302 20 30 CGEDMO CC[C@H](CC#N)N1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001255178748 806572460 /nfs/dbraw/zinc/57/24/60/806572460.db2.gz JCEZECQYKGQPJD-GUDVDZBRSA-N 1 1 297.446 3.133 20 30 CGEDMO C=C(C)c1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255367667 806626956 /nfs/dbraw/zinc/62/69/56/806626956.db2.gz ZMAJJVAJAHQERV-AWEZNQCLSA-N 1 1 269.348 3.092 20 30 CGEDMO N#C[C@H]1CCCCN1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255402819 806632698 /nfs/dbraw/zinc/63/26/98/806632698.db2.gz BCAAOFSAFYAHPJ-RBUKOAKNSA-N 1 1 297.446 3.419 20 30 CGEDMO C[C@H](c1ccccc1)N(C1=CC(=O)CCC1)[C@@H]1CC[N@@H+](C)C1 ZINC001255443565 806639752 /nfs/dbraw/zinc/63/97/52/806639752.db2.gz PUQLJEWQZHNIOT-CRAIPNDOSA-N 1 1 298.430 3.391 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000385466472 799426121 /nfs/dbraw/zinc/42/61/21/799426121.db2.gz DKKWWRYANHOPNX-RYUDHWBXSA-N 1 1 266.772 3.261 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](Nc2ccc(Cl)c(C#N)n2)[C@@H](C)C1 ZINC001163365424 806749058 /nfs/dbraw/zinc/74/90/58/806749058.db2.gz ZWZGLSSBHGSMIE-WCQYABFASA-N 1 1 292.814 3.137 20 30 CGEDMO CC[C@H](CC#N)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398038976 799525846 /nfs/dbraw/zinc/52/58/46/799525846.db2.gz RAUIRGBXMFZUHX-JQHSSLGASA-N 1 1 285.435 3.179 20 30 CGEDMO C#CCCC1(CCNc2cc(C3CC3)cc[nH+]2)N=N1 ZINC001163380316 806754663 /nfs/dbraw/zinc/75/46/63/806754663.db2.gz YDEHTTGYCSZJEE-UHFFFAOYSA-N 1 1 254.337 3.337 20 30 CGEDMO COc1ccccc1[C@@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000405128783 799581633 /nfs/dbraw/zinc/58/16/33/799581633.db2.gz FPMNZPSPFMMWJB-CYBMUJFWSA-N 1 1 258.365 3.430 20 30 CGEDMO CCC[N@@H+](CC)C[C@@H](C)Nc1cc(C#N)sc1[N+](=O)[O-] ZINC001163419527 806762239 /nfs/dbraw/zinc/76/22/39/806762239.db2.gz LMFUVTUNVYRGHN-SNVBAGLBSA-N 1 1 296.396 3.060 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@H+](C3CCCCCC3)C2)C1=O ZINC001255888570 806785049 /nfs/dbraw/zinc/78/50/49/806785049.db2.gz OYEXMBNNFMTKHM-SFHVURJKSA-N 1 1 290.451 3.210 20 30 CGEDMO CCC1(CC)CCC[N@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC000721241708 800282958 /nfs/dbraw/zinc/28/29/58/800282958.db2.gz ZBNOULNZQOBVCJ-MRXNPFEDSA-N 1 1 272.392 3.246 20 30 CGEDMO C#Cc1ccc(C[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000809537488 800443310 /nfs/dbraw/zinc/44/33/10/800443310.db2.gz LEPJHAXZCDWMCA-UHFFFAOYSA-N 1 1 294.373 3.129 20 30 CGEDMO C=CC[C@H]1CCN1C(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000890557852 800559144 /nfs/dbraw/zinc/55/91/44/800559144.db2.gz HZDRJKYPVLNMDR-LSDHHAIUSA-N 1 1 292.810 3.120 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)ccc2C)[C@H]1C ZINC000994298935 800695819 /nfs/dbraw/zinc/69/58/19/800695819.db2.gz UWIXXZMSFWUBDG-NVXWUHKLSA-N 1 1 286.419 3.072 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)C2CCCCC2)C1 ZINC001023205595 800707239 /nfs/dbraw/zinc/70/72/39/800707239.db2.gz WJWDUWUFFBSLIR-CQSZACIVSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)C2CCCCC2)C1 ZINC001023205595 800707246 /nfs/dbraw/zinc/70/72/46/800707246.db2.gz WJWDUWUFFBSLIR-CQSZACIVSA-N 1 1 298.858 3.147 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)c2cscc2C)C1 ZINC001023290790 800708007 /nfs/dbraw/zinc/70/80/07/800708007.db2.gz BOXRRIGORTWCLG-AWEZNQCLSA-N 1 1 292.448 3.074 20 30 CGEDMO C=C1CCC(C(=O)NC[C@H]2CCC[N@H+](CCCC)C2)CC1 ZINC001023572557 800711828 /nfs/dbraw/zinc/71/18/28/800711828.db2.gz HNCPFLYQMUSYRY-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](CNC(=O)c2occc2C(C)C)C1 ZINC001023555602 800712218 /nfs/dbraw/zinc/71/22/18/800712218.db2.gz XSMUJGHTSOVMJD-AWEZNQCLSA-N 1 1 290.407 3.031 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC1(C)C ZINC001024612559 800731785 /nfs/dbraw/zinc/73/17/85/800731785.db2.gz QHJMRUZGVVNVMS-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001024770928 800734677 /nfs/dbraw/zinc/73/46/77/800734677.db2.gz ZSHJVHJSBDMSTL-BRWVUGGUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C)cc1 ZINC001024773799 800737149 /nfs/dbraw/zinc/73/71/49/800737149.db2.gz LDRSZQYRAVTNNN-KRWDZBQOSA-N 1 1 286.419 3.155 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C=C1CCC1 ZINC001025217751 800750050 /nfs/dbraw/zinc/75/00/50/800750050.db2.gz FOSAIFJKIOPCJS-IAGOWNOFSA-N 1 1 288.435 3.128 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1(C)CCC1 ZINC001025260617 800751728 /nfs/dbraw/zinc/75/17/28/800751728.db2.gz YPHCMBVXEXUCJU-CVEARBPZSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCCC[C@H]1[C@@H]1CCC[N@@H+]1CC ZINC001025257899 800751747 /nfs/dbraw/zinc/75/17/47/800751747.db2.gz GPFNWXYZNLHUCU-GJZGRUSLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1(C)CC1 ZINC001025234476 800752382 /nfs/dbraw/zinc/75/23/82/800752382.db2.gz IEZXZWLUTDRCJS-HOTGVXAUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)C ZINC001025289871 800752929 /nfs/dbraw/zinc/75/29/29/800752929.db2.gz UOKVSTVATQSMHW-GJZGRUSLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccoc2)C1 ZINC001025343582 800758862 /nfs/dbraw/zinc/75/88/62/800758862.db2.gz JVWQSCKJZSGVKT-CABCVRRESA-N 1 1 290.407 3.076 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC2(C)C)C1 ZINC001027536416 800801244 /nfs/dbraw/zinc/80/12/44/800801244.db2.gz QRLUDBIANOSGNQ-ZIAGYGMSSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC2(C)C)C1 ZINC001027536416 800801251 /nfs/dbraw/zinc/80/12/51/800801251.db2.gz QRLUDBIANOSGNQ-ZIAGYGMSSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]([N@H+](C)CC(=C)Cl)C1 ZINC001027560117 800803430 /nfs/dbraw/zinc/80/34/30/800803430.db2.gz QGCVJMCCUYLAQH-ZBFHGGJFSA-N 1 1 298.858 3.264 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]([N@@H+](C)CC(=C)Cl)C1 ZINC001027560117 800803439 /nfs/dbraw/zinc/80/34/39/800803439.db2.gz QGCVJMCCUYLAQH-ZBFHGGJFSA-N 1 1 298.858 3.264 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2csc(C)c2)C1 ZINC001027614583 800807602 /nfs/dbraw/zinc/80/76/02/800807602.db2.gz CHFGSAVZLFIPJI-HNNXBMFYSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)C1=CCCCCC1 ZINC001027843556 800821849 /nfs/dbraw/zinc/82/18/49/800821849.db2.gz CMLZFNBRJDBKPZ-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC001028081004 800830396 /nfs/dbraw/zinc/83/03/96/800830396.db2.gz KHOHVRDZVXABQM-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1c(C)cccc1C ZINC001028157363 800833947 /nfs/dbraw/zinc/83/39/47/800833947.db2.gz IUUAOTWCOLHIJU-INIZCTEOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc2ccccc21 ZINC001028298283 800840270 /nfs/dbraw/zinc/84/02/70/800840270.db2.gz RHITYNKJGQVVMU-MRXNPFEDSA-N 1 1 294.398 3.220 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C)c(C)s1 ZINC001028307343 800841133 /nfs/dbraw/zinc/84/11/33/800841133.db2.gz GWKHLZSUYQEQTI-AWEZNQCLSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2cc(C)ccc2o1 ZINC001028334735 800842024 /nfs/dbraw/zinc/84/20/24/800842024.db2.gz HHACVPKZFDGBGJ-OAHLLOKOSA-N 1 1 298.386 3.121 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)C1CCC(C)(C)CC1 ZINC001028343010 800845420 /nfs/dbraw/zinc/84/54/20/800845420.db2.gz NWGJVCIKIAEHQO-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)C2CCCCCC2)C1 ZINC001028442995 800846960 /nfs/dbraw/zinc/84/69/60/800846960.db2.gz KLNVINNIBCFCDK-AWEZNQCLSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)C2CCCCCC2)C1 ZINC001028442995 800846971 /nfs/dbraw/zinc/84/69/71/800846971.db2.gz KLNVINNIBCFCDK-AWEZNQCLSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)c2cscc2C)C1 ZINC001028469166 800848138 /nfs/dbraw/zinc/84/81/38/800848138.db2.gz MWJZJPAAOSSNNX-CQSZACIVSA-N 1 1 292.448 3.074 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001029013079 800857948 /nfs/dbraw/zinc/85/79/48/800857948.db2.gz SHRWETATLRSUCV-FHERZECASA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](CNC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001029011905 800858637 /nfs/dbraw/zinc/85/86/37/800858637.db2.gz DCQPADWLWSNLJT-QQFBHYJXSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C)c1ccccc1 ZINC001029593870 800870988 /nfs/dbraw/zinc/87/09/88/800870988.db2.gz HVYJUMSANAPALS-KSZLIROESA-N 1 1 298.430 3.040 20 30 CGEDMO CC(C)CC[C@@H](C)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001256363111 806867419 /nfs/dbraw/zinc/86/74/19/806867419.db2.gz GPIYGPZAZUFGOC-YPMHNXCESA-N 1 1 253.411 3.085 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@H+]([C@H](C)CCC(C)C)C2)C1=O ZINC001256364269 806868972 /nfs/dbraw/zinc/86/89/72/806868972.db2.gz RJMVRZFGILJTBY-AEFFLSMTSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[NH+]1CC(NC(=O)c2ccc(C)c3ccccc23)C1 ZINC001031017191 800902260 /nfs/dbraw/zinc/90/22/60/800902260.db2.gz QGGTYIMXYDCSRY-UHFFFAOYSA-N 1 1 294.398 3.138 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)C2=CCCCCC2)C1 ZINC001033033715 800950197 /nfs/dbraw/zinc/95/01/97/800950197.db2.gz UFSJBSWTXDLTNI-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001033076775 800952806 /nfs/dbraw/zinc/95/28/06/800952806.db2.gz OVVUWWFSMLXRDI-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)C2CCCCCCC2)C1 ZINC001033252589 800955278 /nfs/dbraw/zinc/95/52/78/800955278.db2.gz GSSOACZHRWWRTL-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CC=CCC2)C1 ZINC001033329604 800959637 /nfs/dbraw/zinc/95/96/37/800959637.db2.gz RLYJTAMFMZDDLD-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CCCC)C2)CC1 ZINC001033388869 800962632 /nfs/dbraw/zinc/96/26/32/800962632.db2.gz FZUAMXCDLKWFQR-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CC3CCC3)C2)CC1 ZINC001033389668 800963008 /nfs/dbraw/zinc/96/30/08/800963008.db2.gz SEBLJSQPHVGJCU-QGZVFWFLSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001033678514 800973682 /nfs/dbraw/zinc/97/36/82/800973682.db2.gz KSYZGBYDPHFEDR-WMZOPIPTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001033698487 800974803 /nfs/dbraw/zinc/97/48/03/800974803.db2.gz SKLHQWSLRXYWAF-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)C2C(C)(C)C2(C)C)C1 ZINC001033785990 800981994 /nfs/dbraw/zinc/98/19/94/800981994.db2.gz PCDIPKHQUGXPQK-AWEZNQCLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001033850996 800986375 /nfs/dbraw/zinc/98/63/75/800986375.db2.gz RIXOJZSQYAQGOW-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2occc2Cl)C1 ZINC001033944062 800991763 /nfs/dbraw/zinc/99/17/63/800991763.db2.gz CZVLBPSCHJYAIU-GFCCVEGCSA-N 1 1 296.798 3.046 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCCC2(C)C)C1 ZINC001034051698 800997404 /nfs/dbraw/zinc/99/74/04/800997404.db2.gz YUTZVTMHWGPEAO-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)C[C@H]2C=CCC2)C1 ZINC001034090635 801004566 /nfs/dbraw/zinc/00/45/66/801004566.db2.gz LDELLGVDTNEKMF-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)c2occc2C)C1 ZINC001034103427 801005431 /nfs/dbraw/zinc/00/54/31/801005431.db2.gz AXCBMDRBUJCYDR-HNNXBMFYSA-N 1 1 290.407 3.139 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001034226718 801013200 /nfs/dbraw/zinc/01/32/00/801013200.db2.gz RSJIHEUFDKXVQD-AEFFLSMTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@@H+](C/C=C/Cl)C2)C1 ZINC001034390368 801024299 /nfs/dbraw/zinc/02/42/99/801024299.db2.gz ZFABKISABUOAIJ-DYLGSBMWSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC001034389598 801024367 /nfs/dbraw/zinc/02/43/67/801024367.db2.gz SFDXXOIDJSZKEH-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C)CC)CC2 ZINC001035159493 801051788 /nfs/dbraw/zinc/05/17/88/801051788.db2.gz GNVBBVUJJXWZEQ-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1CCC2(C1)CCN(C(=O)c1cccc(C)c1)CC2 ZINC001035157458 801052018 /nfs/dbraw/zinc/05/20/18/801052018.db2.gz VBBKXKPROFFAJB-UHFFFAOYSA-N 1 1 298.430 3.109 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)/C(C)=C\C)CC2 ZINC001035173341 801053948 /nfs/dbraw/zinc/05/39/48/801053948.db2.gz YFCRVLXOAYFSHD-BNCCVWRVSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C)C(C)C)CC2 ZINC001035235809 801056573 /nfs/dbraw/zinc/05/65/73/801056573.db2.gz SWVGPJZEUZLKHO-MRXNPFEDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2CN(C(=O)CCC3CCCC3)CC[C@H]21 ZINC001036634864 801085415 /nfs/dbraw/zinc/08/54/15/801085415.db2.gz ZWNMOPMYNGNWRU-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2CN(C(=O)CC3(C)CCCC3)CC[C@@H]21 ZINC001036706820 801089007 /nfs/dbraw/zinc/08/90/07/801089007.db2.gz DZLHYMNPTBJJKN-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3c(C)cccc3C)CC[C@@H]21 ZINC001036827302 801093333 /nfs/dbraw/zinc/09/33/33/801093333.db2.gz VUNDMHVEFRASTA-SJORKVTESA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C)c(Cl)c1 ZINC001038661684 801130066 /nfs/dbraw/zinc/13/00/66/801130066.db2.gz HZRGQHBQCKTHEC-CQSZACIVSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C)c(Cl)c1 ZINC001038661684 801130068 /nfs/dbraw/zinc/13/00/68/801130068.db2.gz HZRGQHBQCKTHEC-CQSZACIVSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCC2CC2)C1 ZINC001039195794 801153245 /nfs/dbraw/zinc/15/32/45/801153245.db2.gz NEAMQJKGVLPIPC-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C)c1 ZINC001039325784 801158335 /nfs/dbraw/zinc/15/83/35/801158335.db2.gz FGJOIOCURDPAJI-MSOLQXFVSA-N 1 1 298.430 3.250 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC(C)C1 ZINC001039355423 801158817 /nfs/dbraw/zinc/15/88/17/801158817.db2.gz OKYVNOGZQSXAMZ-BACDZXNISA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CCCC1 ZINC001039413019 801161588 /nfs/dbraw/zinc/16/15/88/801161588.db2.gz POGGBBRRSHXIKI-CVEARBPZSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC[C@@H](C)F ZINC001039821843 801166823 /nfs/dbraw/zinc/16/68/23/801166823.db2.gz VGALIWLUMMPUAX-KFWWJZLASA-N 1 1 296.430 3.012 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCC ZINC001039823062 801167062 /nfs/dbraw/zinc/16/70/62/801167062.db2.gz OBBVRFCFBAFHEJ-IYBDPMFKSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)c3ccccc3)C2)C1 ZINC001040048310 801171700 /nfs/dbraw/zinc/17/17/00/801171700.db2.gz XVDMNAGTKDNFII-IBGZPJMESA-N 1 1 298.430 3.191 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C3(C)CCC3)C2)C1 ZINC001040337260 801176489 /nfs/dbraw/zinc/17/64/89/801176489.db2.gz LOOMNJWZVNYDDN-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)CC)C2)C1 ZINC001040358109 801176500 /nfs/dbraw/zinc/17/65/00/801176500.db2.gz VQHTWHSOZRALMV-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C3(C)CCC3)C2)C1 ZINC001040337257 801176657 /nfs/dbraw/zinc/17/66/57/801176657.db2.gz LOOMNJWZVNYDDN-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)CC3CCC3)C2)C1 ZINC001041170713 801186142 /nfs/dbraw/zinc/18/61/42/801186142.db2.gz RRRZDVHLOHGDCD-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)CCC3CCC3)C2)C1 ZINC001041181568 801188441 /nfs/dbraw/zinc/18/84/41/801188441.db2.gz MTYPJODUYIAZMG-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)CC)C2)C1 ZINC001041624273 801191017 /nfs/dbraw/zinc/19/10/17/801191017.db2.gz SQTWMAIIWNJQQU-INIZCTEOSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)CC)C2)C1 ZINC001041624273 801191020 /nfs/dbraw/zinc/19/10/20/801191020.db2.gz SQTWMAIIWNJQQU-INIZCTEOSA-N 1 1 298.858 3.100 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CCN(C(=O)CCC3CCCC3)C[C@@H]21 ZINC001041915986 801196477 /nfs/dbraw/zinc/19/64/77/801196477.db2.gz JQUVBRYFDNLRPN-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccccc3C)C[C@H]21 ZINC001041914229 801196659 /nfs/dbraw/zinc/19/66/59/801196659.db2.gz BKKHCHFMYKBKPP-FUHWJXTLSA-N 1 1 298.430 3.108 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CCN(C(=O)C3CCCCCC3)C[C@@H]21 ZINC001041974185 801198085 /nfs/dbraw/zinc/19/80/85/801198085.db2.gz ZPCSRQOKNZHLEI-RDJZCZTQSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)CC3(C)CCCC3)C[C@H]21 ZINC001042044628 801200567 /nfs/dbraw/zinc/20/05/67/801200567.db2.gz RFPXEQGCIPLONE-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3c(C)cccc3C)C[C@H]21 ZINC001042243176 801204026 /nfs/dbraw/zinc/20/40/26/801204026.db2.gz PVLIEGQXLBYBHN-IAGOWNOFSA-N 1 1 298.430 3.026 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](F)CC ZINC001045826681 801287729 /nfs/dbraw/zinc/28/77/29/801287729.db2.gz CQGLVMGLAVEPPJ-ZNMIVQPWSA-N 1 1 296.430 3.012 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCF ZINC001045840023 801288688 /nfs/dbraw/zinc/28/86/88/801288688.db2.gz BLTAKMLKVLMNAK-HLLBOEOZSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCCC[C@]2(CC[N@H+](CC)C2)C1 ZINC001045956663 801294564 /nfs/dbraw/zinc/29/45/64/801294564.db2.gz SAGRYGCBPRCWIZ-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)C2CCCCC2)C1 ZINC001046108190 801300997 /nfs/dbraw/zinc/30/09/97/801300997.db2.gz TZNQBYLVLOYTCX-QGZVFWFLSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001046338773 801309565 /nfs/dbraw/zinc/30/95/65/801309565.db2.gz BOGCHPYFYOLZSW-WMZOPIPTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)C2CCC3(CC3)CC2)C1 ZINC001046489373 801312537 /nfs/dbraw/zinc/31/25/37/801312537.db2.gz AGRWVDUNXDTJQM-KRWDZBQOSA-N 1 1 290.451 3.114 20 30 CGEDMO CCOC1CCC([N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC1 ZINC001256444742 806900913 /nfs/dbraw/zinc/90/09/13/806900913.db2.gz XKMBPWGRZWCBPB-CCVYVMJOSA-N 1 1 262.397 3.101 20 30 CGEDMO C=C1CCC(C(=O)N[C@]2(C)CC[N@H+](CC=C(C)C)C2)CC1 ZINC001046594344 801316109 /nfs/dbraw/zinc/31/61/09/801316109.db2.gz GTTGXVNLGUTHAY-GOSISDBHSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C1CCC(C(=O)N[C@]2(C)CC[N@H+](CC[C@H](C)F)C2)CC1 ZINC001046593832 801316649 /nfs/dbraw/zinc/31/66/49/801316649.db2.gz AWLZCJUOGQQXQU-WMLDXEAASA-N 1 1 296.430 3.062 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001046694656 801322315 /nfs/dbraw/zinc/32/23/15/801322315.db2.gz IXNNKZGPGABXPB-LJQANCHMSA-N 1 1 296.414 3.026 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC23CCCC3)C1 ZINC001046755028 801323702 /nfs/dbraw/zinc/32/37/02/801323702.db2.gz VJSSERCIDYTHPH-NVXWUHKLSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)c2coc3ccccc23)C1 ZINC001046876950 801332574 /nfs/dbraw/zinc/33/25/74/801332574.db2.gz MAPPDXSOUGQWMX-GOSISDBHSA-N 1 1 298.386 3.203 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC(C)(C)C ZINC001049326087 801365179 /nfs/dbraw/zinc/36/51/79/801365179.db2.gz JMMVYUWPOPSOEA-LSDHHAIUSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC1(C)C ZINC001049430257 801372418 /nfs/dbraw/zinc/37/24/18/801372418.db2.gz DIRJBUXPARSHKI-OAGGEKHMSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)C(C)(C)C ZINC001049551198 801374929 /nfs/dbraw/zinc/37/49/29/801374929.db2.gz FSTKDRGUNRAYFL-ARFHVFGLSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC(C)C ZINC001049639486 801379791 /nfs/dbraw/zinc/37/97/91/801379791.db2.gz PROYXCKJKLHGLM-CVEARBPZSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](F)CC ZINC001049643044 801380366 /nfs/dbraw/zinc/38/03/66/801380366.db2.gz CDWYHVCIAWVWAG-RBSFLKMASA-N 1 1 296.430 3.012 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC1(C)C ZINC001049660922 801381505 /nfs/dbraw/zinc/38/15/05/801381505.db2.gz AVUOTJXMYSEKHA-ARFHVFGLSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC[C@H](C)CC1 ZINC001049855788 801388551 /nfs/dbraw/zinc/38/85/51/801388551.db2.gz UJCLEAAYONRKON-VQHPVUNQSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)C(C)C ZINC001049769707 801389520 /nfs/dbraw/zinc/38/95/20/801389520.db2.gz PRGOEOSEMKTZIA-YESZJQIVSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC[C@H](C)CC1 ZINC001049855785 801389647 /nfs/dbraw/zinc/38/96/47/801389647.db2.gz UJCLEAAYONRKON-QAETUUGQSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2sccc2C)CC1 ZINC001052162422 801420700 /nfs/dbraw/zinc/42/07/00/801420700.db2.gz MUWHWDTXGUHOKC-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C(C)=C2CCC2)CC1 ZINC001052368135 801432938 /nfs/dbraw/zinc/43/29/38/801432938.db2.gz HHNPCAYCGCLPFZ-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC001052551482 801438363 /nfs/dbraw/zinc/43/83/63/801438363.db2.gz CHKQIOUVKZAZID-ARFHVFGLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC2(C)C)CC1 ZINC001052636086 801442811 /nfs/dbraw/zinc/44/28/11/801442811.db2.gz NNFIRVAHZYHBGX-KGLIPLIRSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC001052694227 801449525 /nfs/dbraw/zinc/44/95/25/801449525.db2.gz QKQDFGAWPBEZBM-RBSFLKMASA-N 1 1 298.858 3.146 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC2CC2)C1 ZINC001053060261 801465538 /nfs/dbraw/zinc/46/55/38/801465538.db2.gz FOWUHGISCLJFTN-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@]2(CC[N@H+](CCCC)C2)C1 ZINC001054175155 801478087 /nfs/dbraw/zinc/47/80/87/801478087.db2.gz ITHUKHWZZKGDOO-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3C[C@@H]3C)cc2C1 ZINC001054253554 801480549 /nfs/dbraw/zinc/48/05/49/801480549.db2.gz CMULXIDEWRCPBY-KSSFIOAISA-N 1 1 298.430 3.241 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C2CCCCC2)CC[C@@H]1C ZINC001071322136 801528167 /nfs/dbraw/zinc/52/81/67/801528167.db2.gz TZPDZFHCLZAKIH-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)C2CCCCCC2)CC[C@@H]1C ZINC001071384109 801531325 /nfs/dbraw/zinc/53/13/25/801531325.db2.gz SBOXYJMHZRJNLG-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C=C2CCCCC2)CC[C@H]1C ZINC001071373732 801531482 /nfs/dbraw/zinc/53/14/82/801531482.db2.gz NQXJAAZPORAYCF-WBVHZDCISA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)CC2=CCCCC2)CC[C@@H]1C ZINC001071391612 801532491 /nfs/dbraw/zinc/53/24/91/801532491.db2.gz KIJNLODZMVBZTP-DOTOQJQBSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C(C)=C2CCC2)CC[C@H]1C ZINC001071500803 801540718 /nfs/dbraw/zinc/54/07/18/801540718.db2.gz CABDBJKNAQBAOV-PBHICJAKSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C(C)=C2CCC2)CC[C@H]1C ZINC001071489064 801541709 /nfs/dbraw/zinc/54/17/09/801541709.db2.gz ZAZSDSZSVYMGAW-CJNGLKHVSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C2(C3CCC3)CCC2)CC[C@@H]1C ZINC001071712045 801548002 /nfs/dbraw/zinc/54/80/02/801548002.db2.gz IIDXOMNXKFINEC-HOCLYGCPSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2occc2C(C)C)CC[C@H]1C ZINC001071762356 801549854 /nfs/dbraw/zinc/54/98/54/801549854.db2.gz MNUHFQGYOFUSIB-KGLIPLIRSA-N 1 1 290.407 3.172 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2occc2Cl)CC[C@@H]1C ZINC001071796556 801551912 /nfs/dbraw/zinc/55/19/12/801551912.db2.gz UAWKYERIDFEPSK-NWDGAFQWSA-N 1 1 296.798 3.092 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC(C)C)C2)CC1 ZINC001071795207 801552234 /nfs/dbraw/zinc/55/22/34/801552234.db2.gz JAZCKXYHUQKJNP-DOTOQJQBSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)C2(C)CC(=C)C2)CC[C@@H]1C ZINC001071807806 801554938 /nfs/dbraw/zinc/55/49/38/801554938.db2.gz WRTXBRPKPFXROJ-JKSUJKDBSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C)CCCCCC2)C1 ZINC001079869473 801646478 /nfs/dbraw/zinc/64/64/78/801646478.db2.gz GHXUJQPJSIIUTF-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C1CCC(C(=O)N2C[C@H]3CC[N@H+](CCCC)C[C@H]32)CC1 ZINC001084634879 801670001 /nfs/dbraw/zinc/67/00/01/801670001.db2.gz IHNTYBMJAJKBEX-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001085604901 801695637 /nfs/dbraw/zinc/69/56/37/801695637.db2.gz UUTDAIWZHLRIBX-HRCADAONSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)cccc1C ZINC001085836971 801708708 /nfs/dbraw/zinc/70/87/08/801708708.db2.gz YFOOPKWRYBHCSN-MRXNPFEDSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(Cl)cs1 ZINC001085855635 801709924 /nfs/dbraw/zinc/70/99/24/801709924.db2.gz FGPCJSVWCQHYQU-LBPRGKRZSA-N 1 1 298.839 3.124 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(Cl)cs1 ZINC001085855635 801709928 /nfs/dbraw/zinc/70/99/28/801709928.db2.gz FGPCJSVWCQHYQU-LBPRGKRZSA-N 1 1 298.839 3.124 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C)cc1 ZINC001085941888 801712206 /nfs/dbraw/zinc/71/22/06/801712206.db2.gz SIYWYZJPAMTFJJ-KRWDZBQOSA-N 1 1 286.419 3.108 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C1CC(C(C)(C)C)C1 ZINC001085996852 801719544 /nfs/dbraw/zinc/71/95/44/801719544.db2.gz ZQWACVCFUSPHLZ-GPANFISMSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C(C)C ZINC001087274774 801748874 /nfs/dbraw/zinc/74/88/74/801748874.db2.gz WNBSCPKPBUIMTP-OWCLPIDISA-N 1 1 292.467 3.214 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CC2=CCCCC2)[C@H]1CC ZINC001087521898 801755832 /nfs/dbraw/zinc/75/58/32/801755832.db2.gz BPBLTIGEFDVKJF-DLBZAZTESA-N 1 1 290.451 3.422 20 30 CGEDMO C=Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=C)C)[C@@H]2CC)cc1 ZINC001087736589 801766746 /nfs/dbraw/zinc/76/67/46/801766746.db2.gz ZNHRKLVMYFCITQ-ZWKOTPCHSA-N 1 1 298.430 3.488 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C2CCCC2)[C@H]1CC ZINC001087791458 801767480 /nfs/dbraw/zinc/76/74/80/801767480.db2.gz LKSRRHJYIYUQBU-BHYGNILZSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cc(C)ccc2C)[C@H]1CC ZINC001087808961 801767755 /nfs/dbraw/zinc/76/77/55/801767755.db2.gz SJGBXUMNHIJVGY-DLBZAZTESA-N 1 1 286.419 3.072 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC2CCCCC2)[C@H]1C ZINC001088459333 801794159 /nfs/dbraw/zinc/79/41/59/801794159.db2.gz LWVUBERFZGVSHW-HIFRSBDPSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC2CCCCC2)[C@H]1C ZINC001088459333 801794164 /nfs/dbraw/zinc/79/41/64/801794164.db2.gz LWVUBERFZGVSHW-HIFRSBDPSA-N 1 1 298.858 3.288 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C(C)C)[C@H]1C ZINC001088606903 801803663 /nfs/dbraw/zinc/80/36/63/801803663.db2.gz ULYADMJUECOBAT-PBHICJAKSA-N 1 1 286.419 3.189 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2(C)CCCCC2)[C@H]1C ZINC001088834461 801810327 /nfs/dbraw/zinc/81/03/27/801810327.db2.gz UYAUHFSGHRPZHG-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)c2ccsc2)[C@H]1C ZINC001088851488 801811072 /nfs/dbraw/zinc/81/10/72/801811072.db2.gz IJDNQMBTWNEOSH-NFAWXSAZSA-N 1 1 292.448 3.007 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(CC)cc2)[C@H]1C ZINC001089017466 801816469 /nfs/dbraw/zinc/81/64/69/801816469.db2.gz GAGOEYJJQJGLLX-PBHICJAKSA-N 1 1 286.419 3.018 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2(C)CCC(C)CC2)[C@H]1C ZINC001089067867 801818515 /nfs/dbraw/zinc/81/85/15/801818515.db2.gz AAAPVZVQZQLJEX-NDUQDZPOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccoc2C(C)C)[C@H]1C ZINC001089070158 801820299 /nfs/dbraw/zinc/82/02/99/801820299.db2.gz PXVXVIYZTCAYKY-HIFRSBDPSA-N 1 1 290.407 3.172 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cccs2)CC(C)(C)C1 ZINC001089306929 801830618 /nfs/dbraw/zinc/83/06/18/801830618.db2.gz QMTSJHXJRRGEDC-CYBMUJFWSA-N 1 1 292.448 3.155 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C2CCCC2)CC(C)(C)C1 ZINC001089298102 801832077 /nfs/dbraw/zinc/83/20/77/801832077.db2.gz HJKWHFQASSIOJE-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccsc1 ZINC001089606756 801845361 /nfs/dbraw/zinc/84/53/61/801845361.db2.gz AEOFMCOPHCABJJ-AWEZNQCLSA-N 1 1 292.448 3.155 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C)C(C)C)C[C@]2(C)C1 ZINC001092066946 801859779 /nfs/dbraw/zinc/85/97/79/801859779.db2.gz APMICBOYWHCJKI-JZXOWHBKSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)C(C)(C)C)C[C@]2(C)C1 ZINC001091912451 801860444 /nfs/dbraw/zinc/86/04/44/801860444.db2.gz AMIMBSOBEKVAGU-KDOFPFPSSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C)c1C)C2 ZINC001096469227 801889804 /nfs/dbraw/zinc/88/98/04/801889804.db2.gz CXVZVFRMLUVPIZ-NJAFHUGGSA-N 1 1 298.430 3.215 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)c1ccccc1C)C2 ZINC001096592830 801891438 /nfs/dbraw/zinc/89/14/38/801891438.db2.gz BKSWUGNZHALELC-MVJTYMMSSA-N 1 1 298.430 3.006 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC=CCC1)C2 ZINC001096795000 801894920 /nfs/dbraw/zinc/89/49/20/801894920.db2.gz ZLBHEOBMRPSGAX-VQHPVUNQSA-N 1 1 288.435 3.030 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC(C)(C)C1)C2 ZINC001097807597 801904305 /nfs/dbraw/zinc/90/43/05/801904305.db2.gz XAPUVBXTGAFFRJ-FPCVCCKLSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(C)=C2CCC2)C1 ZINC001098829919 801915947 /nfs/dbraw/zinc/91/59/47/801915947.db2.gz WQQZPIBCDPGNOY-WMZOPIPTSA-N 1 1 288.435 3.034 20 30 CGEDMO C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CCC1 ZINC001098825536 801916517 /nfs/dbraw/zinc/91/65/17/801916517.db2.gz DSZARIJVRCVVPY-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC1CCC1 ZINC001098965975 801922348 /nfs/dbraw/zinc/92/23/48/801922348.db2.gz FIPDCVQCGJTBBX-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC1CCC1 ZINC001099001168 801924887 /nfs/dbraw/zinc/92/48/87/801924887.db2.gz QIVQSPRITDCWPY-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C=C)cc2)C1 ZINC001099044824 801925723 /nfs/dbraw/zinc/92/57/23/801925723.db2.gz VKZQFWQPKLAKBL-HKUYNNGSSA-N 1 1 296.414 3.100 20 30 CGEDMO C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001099165059 801929967 /nfs/dbraw/zinc/92/99/67/801929967.db2.gz JREKZOLXKMOLMO-OWCLPIDISA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)C(=C)C ZINC001099171496 801931131 /nfs/dbraw/zinc/93/11/31/801931131.db2.gz QHBGODRHQXWLBX-OAHLLOKOSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)CC(=C)C ZINC001099189303 801932847 /nfs/dbraw/zinc/93/28/47/801932847.db2.gz QBOGCJULPKGKCA-HOTGVXAUSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)C(C)C ZINC001099251164 801933600 /nfs/dbraw/zinc/93/36/00/801933600.db2.gz GZZPQAOZLXKZGI-LSDHHAIUSA-N 1 1 280.456 3.071 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CCC)C1 ZINC001099230588 801934048 /nfs/dbraw/zinc/93/40/48/801934048.db2.gz VZAHJOPOJRMJOX-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC(=O)N1C[C@H]2C[N@H+](CC(CC)CC)C[C@@]2(C)C1 ZINC001101167380 801974572 /nfs/dbraw/zinc/97/45/72/801974572.db2.gz AROKBPXHKTUIJJ-AEFFLSMTSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)CC)C[C@]2(C)C1 ZINC001101344060 801976465 /nfs/dbraw/zinc/97/64/65/801976465.db2.gz XEUJFFJWCYAETO-QAPCUYQASA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C)C(C)C)C[C@]2(C)C1 ZINC001101380508 801977887 /nfs/dbraw/zinc/97/78/87/801977887.db2.gz VYEVTVFTXPQDIZ-NUJGCVRESA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1C ZINC001101806145 801992431 /nfs/dbraw/zinc/99/24/31/801992431.db2.gz DQKVEFZLVJVNBM-NVXWUHKLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](CNC(=O)CC(C)(C)C2CC2)[C@H](C)C1 ZINC001101940718 801996416 /nfs/dbraw/zinc/99/64/16/801996416.db2.gz OAWVVIWXVWSCRM-HUUCEWRRSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)C(C)(C)C)[C@H](C)C1 ZINC001102093380 801998726 /nfs/dbraw/zinc/99/87/26/801998726.db2.gz LIJIIURPGCPJFW-BZUAXINKSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](CNC(=O)CCC[C@H](C)CCC)[C@H](C)C1 ZINC001102001565 801998743 /nfs/dbraw/zinc/99/87/43/801998743.db2.gz QIOZUEBFNYKOGN-BRWVUGGUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](CNC(=O)C2(C)CCCC2)[C@H](C)C1 ZINC001102201708 802000135 /nfs/dbraw/zinc/00/01/35/802000135.db2.gz JRDGJDUPHNOJIR-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1C ZINC001102264668 802005433 /nfs/dbraw/zinc/00/54/33/802005433.db2.gz VBSSSEAOUASBDF-ANIPRKEASA-N 1 1 298.858 3.025 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](CNC(=O)C[C@@H](C)CCCCC)[C@H](C)C1 ZINC001102437565 802007917 /nfs/dbraw/zinc/00/79/17/802007917.db2.gz KLJYDHSJWRMGJO-GVDBMIGSSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC)CC(C)C)[C@H](C)C1 ZINC001102501762 802011719 /nfs/dbraw/zinc/01/17/19/802011719.db2.gz QFZKPIJOILATTC-IXDOHACOSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2CC2)C1 ZINC001102633655 802014857 /nfs/dbraw/zinc/01/48/57/802014857.db2.gz BQBOZSZALLONNG-HLLBOEOZSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC(=O)NCC[C@@H]1C[N@@H+](CC/C=C/CC)C[C@H]1C ZINC001102762219 802019877 /nfs/dbraw/zinc/01/98/77/802019877.db2.gz RUDGBYVHMOGRLD-WPLBAPSMSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCCC(=O)NCC[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1C ZINC001102762154 802020550 /nfs/dbraw/zinc/02/05/50/802020550.db2.gz PNYPUOPHENSQTB-NVXWUHKLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2CCC2)C1 ZINC001102826754 802021173 /nfs/dbraw/zinc/02/11/73/802021173.db2.gz WZXZNTVUNMAYJZ-NVXWUHKLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC2CC2)C1 ZINC001102799621 802022657 /nfs/dbraw/zinc/02/26/57/802022657.db2.gz FDRDPAYBFDRHDD-NVXWUHKLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC(C)=C(C)C)C1 ZINC001103322073 802030187 /nfs/dbraw/zinc/03/01/87/802030187.db2.gz IIFVFDKVNRHKDN-IAGOWNOFSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)CC=C)C1 ZINC001103474706 802035522 /nfs/dbraw/zinc/03/55/22/802035522.db2.gz JQXLDSQRTFJCKY-HZPDHXFCSA-N 1 1 292.467 3.239 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)C2CC2)C1 ZINC001103759177 802039436 /nfs/dbraw/zinc/03/94/36/802039436.db2.gz JCYIQZLBWYDDBV-ZMSDIMECSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)C[C@@H](C)CC)CCC[C@@H]12 ZINC001107384271 802087191 /nfs/dbraw/zinc/08/71/91/802087191.db2.gz WQNDVWFHUABRJO-LZLYRXPVSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)CC(=C)C)CCC[C@@H]12 ZINC001107514442 802089847 /nfs/dbraw/zinc/08/98/47/802089847.db2.gz HCZTXUVTHSXMET-JFIYKMOQSA-N 1 1 290.451 3.136 20 30 CGEDMO CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC)C2 ZINC001108840950 802101215 /nfs/dbraw/zinc/10/12/15/802101215.db2.gz ZUYQOPVCSFZZEE-ILXRZTDVSA-N 1 1 266.429 3.088 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC(C)C)C2 ZINC001108922470 802104981 /nfs/dbraw/zinc/10/49/81/802104981.db2.gz PDJOCHGIWAKONI-PMPSAXMXSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)C(C)C)C2 ZINC001109046523 802106288 /nfs/dbraw/zinc/10/62/88/802106288.db2.gz LVRQVMHWUHPCDG-NCOADZHNSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C(=C)Cl)C2 ZINC001109345069 802113879 /nfs/dbraw/zinc/11/38/79/802113879.db2.gz MGRFIUHQUWVVIC-RDBSUJKOSA-N 1 1 296.842 3.063 20 30 CGEDMO C#CCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC ZINC001109605597 802118632 /nfs/dbraw/zinc/11/86/32/802118632.db2.gz JJUKOBYWMVIQIF-IKGGRYGDSA-N 1 1 290.451 3.092 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1 ZINC001109634399 802120222 /nfs/dbraw/zinc/12/02/22/802120222.db2.gz LJHHBZYPDGPJDG-SIXLDLHFSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCCC)C1 ZINC001109696812 802122447 /nfs/dbraw/zinc/12/24/47/802122447.db2.gz NOLDUJYXWHUQAT-PMPSAXMXSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)CC1CCCC1)C2 ZINC001109795099 802124949 /nfs/dbraw/zinc/12/49/49/802124949.db2.gz VTOKTWIYOXFYEY-ORQFMDKSSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)C(C)(C)C)C2 ZINC001110038942 802129640 /nfs/dbraw/zinc/12/96/40/802129640.db2.gz ZXTJIDIDMQMEDT-FZKCQIBNSA-N 1 1 292.467 3.356 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)C1CC1)C2 ZINC001110166719 802131970 /nfs/dbraw/zinc/13/19/70/802131970.db2.gz PEINPBYRKGGWHT-ORQFMDKSSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(C)(C)CC)C2 ZINC001110596738 802145179 /nfs/dbraw/zinc/14/51/79/802145179.db2.gz VNYREQNQWUGLOE-KFWWJZLASA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C(=C)Cl)C2 ZINC001110601163 802145987 /nfs/dbraw/zinc/14/59/87/802145987.db2.gz MGRFIUHQUWVVIC-MCIONIFRSA-N 1 1 296.842 3.063 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC/C=C/CC ZINC001110609619 802146486 /nfs/dbraw/zinc/14/64/86/802146486.db2.gz NTLRANWSOABOIQ-YNIIXSKUSA-N 1 1 290.451 3.421 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC ZINC001110935063 802150381 /nfs/dbraw/zinc/15/03/81/802150381.db2.gz WFJAGMZLSJRCEF-FPCVCCKLSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC ZINC001111072075 802154241 /nfs/dbraw/zinc/15/42/41/802154241.db2.gz AHYLPOINUOETDT-KFWWJZLASA-N 1 1 278.440 3.110 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)CC(C)(C)C)C2 ZINC001111105859 802154273 /nfs/dbraw/zinc/15/42/73/802154273.db2.gz QBNAEALFWSHRHW-JJXSEGSLSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC)C1 ZINC001111554486 802161461 /nfs/dbraw/zinc/16/14/61/802161461.db2.gz VGZOIPSMQUBDBG-RDJZCZTQSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC2)C1 ZINC001111554813 802161538 /nfs/dbraw/zinc/16/15/38/802161538.db2.gz DPBQIAWVKAJGFC-WMZOPIPTSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC001111648716 802164253 /nfs/dbraw/zinc/16/42/53/802164253.db2.gz LBQZDGPTAQFEQT-HKUYNNGSSA-N 1 1 298.430 3.124 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)CCC)C1 ZINC001111650312 802164414 /nfs/dbraw/zinc/16/44/14/802164414.db2.gz MQUPUXQDRYRIGK-RYRKJORJSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCC(=C)C)C2 ZINC001111764831 802168266 /nfs/dbraw/zinc/16/82/66/802168266.db2.gz FBAANJWTTYRKTB-WMZOPIPTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC(C)(C)C)C1 ZINC001111912465 802172513 /nfs/dbraw/zinc/17/25/13/802172513.db2.gz KRCOJFLQWDKMCL-YJBOKZPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3ccccc3)C[C@H]21 ZINC001114686859 802243647 /nfs/dbraw/zinc/24/36/47/802243647.db2.gz SZWZENSUUFRBTJ-QMCVQRASSA-N 1 1 298.430 3.006 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1[C@H]2C[N@H+](CCCCCC)C[C@H]21 ZINC001114794692 802246330 /nfs/dbraw/zinc/24/63/30/802246330.db2.gz NMZNCMAHLPZDLG-LHHMISFZSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)CC(C)(C)C ZINC001114883491 802247484 /nfs/dbraw/zinc/24/74/84/802247484.db2.gz YZUYAKNYQVYZKK-AIANPOQGSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CCCC)C(C)C ZINC001115314159 802255268 /nfs/dbraw/zinc/25/52/68/802255268.db2.gz PPCBLNQVLCJUSN-NCOADZHNSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CCC)CC(C)C ZINC001115324915 802256474 /nfs/dbraw/zinc/25/64/74/802256474.db2.gz XSVRISVGNSDKEO-NCOADZHNSA-N 1 1 292.467 3.071 20 30 CGEDMO CC[N@@H+](Cc1cc(C)n[nH]1)[C@@H](C)c1ccc(C#N)cc1 ZINC001116440107 802348950 /nfs/dbraw/zinc/34/89/50/802348950.db2.gz LCWVPXXUIINILC-ZDUSSCGKSA-N 1 1 268.364 3.173 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](C/C=C\c2ccc(F)cc2)C1 ZINC001116555691 802377122 /nfs/dbraw/zinc/37/71/22/802377122.db2.gz TXRNDQVUGZWPKU-QGZUEGPWSA-N 1 1 261.340 3.116 20 30 CGEDMO C=CC[C@H](C(=O)Nc1cc(C)[nH+]c(C)c1)c1ccccc1 ZINC001116679514 802395425 /nfs/dbraw/zinc/39/54/25/802395425.db2.gz JCOKSCBHBZWADP-KRWDZBQOSA-N 1 1 280.371 3.419 20 30 CGEDMO CC(C)COCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001172475527 808340938 /nfs/dbraw/zinc/34/09/38/808340938.db2.gz KSNVAMFIUUNUJM-FPCVCCKLSA-N 1 1 264.413 3.204 20 30 CGEDMO C[C@H](CCCC#N)N1CCC([NH3+])(c2ccccc2)CC1 ZINC001172490933 808350813 /nfs/dbraw/zinc/35/08/13/808350813.db2.gz CEIYKXHSDDTJHO-OAHLLOKOSA-N 1 1 271.408 3.019 20 30 CGEDMO C[C@H](CCCC#N)[NH+]1CCC(N)(c2ccccc2)CC1 ZINC001172490933 808350818 /nfs/dbraw/zinc/35/08/18/808350818.db2.gz CEIYKXHSDDTJHO-OAHLLOKOSA-N 1 1 271.408 3.019 20 30 CGEDMO CC(C)c1noc([C@@H]2CCC[N@H+]([C@@H](C)CCCC#N)C2)n1 ZINC001172501432 808356880 /nfs/dbraw/zinc/35/68/80/808356880.db2.gz QEEQSMOLHNEWOR-UONOGXRCSA-N 1 1 290.411 3.455 20 30 CGEDMO C#CC[N@@H+](Cc1nc2ccccc2s1)CC1CC1 ZINC001118130459 802529204 /nfs/dbraw/zinc/52/92/04/802529204.db2.gz ZMOHISBJOSNVDR-UHFFFAOYSA-N 1 1 256.374 3.142 20 30 CGEDMO C#CC[N@H+](Cc1nc2ccccc2s1)CC1CC1 ZINC001118130459 802529205 /nfs/dbraw/zinc/52/92/05/802529205.db2.gz ZMOHISBJOSNVDR-UHFFFAOYSA-N 1 1 256.374 3.142 20 30 CGEDMO C[N@@H+](CCCCC1(C#N)CCC1)C[C@@H]1CCCC[C@H]1O ZINC001119700663 802693226 /nfs/dbraw/zinc/69/32/26/802693226.db2.gz AFFYJPVQSVJLBU-JKSUJKDBSA-N 1 1 278.440 3.333 20 30 CGEDMO N#CC[C@@H](O)C[N@H+]1CCCCC[C@H]1/C=C\c1cccs1 ZINC001119807496 802699933 /nfs/dbraw/zinc/69/99/33/802699933.db2.gz AZSCLUVKCJKFER-PRQMKSPXSA-N 1 1 290.432 3.280 20 30 CGEDMO Cc1ccccc1C[C@@H](C)[N@@H+](C)Cc1cncc(C#N)c1 ZINC001119773864 802700110 /nfs/dbraw/zinc/70/01/10/802700110.db2.gz YQYJHNUSUBGKOE-OAHLLOKOSA-N 1 1 279.387 3.325 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCCC)C1 ZINC001120320740 802739487 /nfs/dbraw/zinc/73/94/87/802739487.db2.gz SGDXJURDQJWJDU-IRXDYDNUSA-N 1 1 292.467 3.456 20 30 CGEDMO N#Cc1ccc(CN[C@H]2CCC[N@@H+](C3CCCC3)C2)s1 ZINC001256905191 807007998 /nfs/dbraw/zinc/00/79/98/807007998.db2.gz RDNBOMCLCIPUSW-ZDUSSCGKSA-N 1 1 289.448 3.116 20 30 CGEDMO N#Cc1ccc(CN[C@H]2CCC[N@H+](C3CCCC3)C2)s1 ZINC001256905191 807008003 /nfs/dbraw/zinc/00/80/03/807008003.db2.gz RDNBOMCLCIPUSW-ZDUSSCGKSA-N 1 1 289.448 3.116 20 30 CGEDMO N#CC1(CN[C@@H]2CCC[N@H+](C3CCCC3)C2)CCCC1 ZINC001256894388 806999831 /nfs/dbraw/zinc/99/98/31/806999831.db2.gz IIXMLYVLROJYKE-OAHLLOKOSA-N 1 1 275.440 3.067 20 30 CGEDMO N#CC1(C[NH2+][C@@H]2CCCN(C3CCCC3)C2)CCCC1 ZINC001256894388 806999833 /nfs/dbraw/zinc/99/98/33/806999833.db2.gz IIXMLYVLROJYKE-OAHLLOKOSA-N 1 1 275.440 3.067 20 30 CGEDMO CC1(C)CC(=O)C=C(N[C@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256903676 807005799 /nfs/dbraw/zinc/00/57/99/807005799.db2.gz CPPXOXMLMVPOMC-AWEZNQCLSA-N 1 1 290.451 3.256 20 30 CGEDMO C=C[C@H](C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC001123923174 802982651 /nfs/dbraw/zinc/98/26/51/802982651.db2.gz AWMLCDSEESWGSA-KSZLIROESA-N 1 1 298.430 3.089 20 30 CGEDMO O/N=C/c1cc(C2=C[NH2+]CCC2)cc(C(F)(F)F)c1 ZINC001243953267 803097592 /nfs/dbraw/zinc/09/75/92/803097592.db2.gz ZVMGJSXZDCOUIU-CNHKJKLMSA-N 1 1 270.254 3.238 20 30 CGEDMO N#C[C@@H]1CC[N@@H+](CCCCCOCc2ccccc2)C1 ZINC001208812460 813855498 /nfs/dbraw/zinc/85/54/98/813855498.db2.gz KHFYXXMGWDRRDS-KRWDZBQOSA-N 1 1 272.392 3.219 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)CCC(C)C)CC[C@H]1C ZINC001131788978 803347360 /nfs/dbraw/zinc/34/73/60/803347360.db2.gz ZUSNRWUSJFDPRK-CVEARBPZSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001131899945 803355887 /nfs/dbraw/zinc/35/58/87/803355887.db2.gz RGQWDKMGVXTCJH-NVXWUHKLSA-N 1 1 286.419 3.122 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[C@H](C)[N@H+](CCC(C)(C)C)C1 ZINC001131895660 803356147 /nfs/dbraw/zinc/35/61/47/803356147.db2.gz LHGPCPKVFLNMBH-GJZGRUSLSA-N 1 1 280.456 3.358 20 30 CGEDMO CCC(CC)C[N@H+]1C[C@H](NC(=O)C#CC(C)C)CC[C@@H]1C ZINC001132022081 803366932 /nfs/dbraw/zinc/36/69/32/803366932.db2.gz UNPQAPGQLSFLJI-DOTOQJQBSA-N 1 1 292.467 3.051 20 30 CGEDMO CCCCC[N@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@H]1C ZINC001132039531 803368651 /nfs/dbraw/zinc/36/86/51/803368651.db2.gz ZFTYUTCRLMASGC-CVEARBPZSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)C(C)=C2CCC2)CC[C@@H]1C ZINC001132047394 803370166 /nfs/dbraw/zinc/37/01/66/803370166.db2.gz WVIQGDPBSZCNQY-YOEHRIQHSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCC(C)C)C1 ZINC001132073586 803371511 /nfs/dbraw/zinc/37/15/11/803371511.db2.gz WVECSMWJRARRFL-HOTGVXAUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C2(CCC=C)CC2)CC[C@H]1C ZINC001132279033 803389783 /nfs/dbraw/zinc/38/97/83/803389783.db2.gz UAGUMJNQBFMHQQ-HZPDHXFCSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC3CC3)C2)CCC1 ZINC001132281466 803390642 /nfs/dbraw/zinc/39/06/42/803390642.db2.gz CIOZPXNGMWBOJP-GOEBONIOSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)C2(CC)CC2)CC[C@H]1C ZINC001132283080 803391802 /nfs/dbraw/zinc/39/18/02/803391802.db2.gz RFQMFUGVDIVHBY-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)CCCCC(C)C)CC[C@H]1C ZINC001132369422 803398016 /nfs/dbraw/zinc/39/80/16/803398016.db2.gz XDYWBHUNRXSUKC-CVEARBPZSA-N 1 1 280.456 3.358 20 30 CGEDMO CC#CC[N@H+]1C[C@H](NC(=O)C(CC)(CC)CC)CC[C@H]1C ZINC001132385094 803398715 /nfs/dbraw/zinc/39/87/15/803398715.db2.gz YKSIDWSTSSUUJM-HZPDHXFCSA-N 1 1 292.467 3.195 20 30 CGEDMO N#Cc1ccc(C[NH+]2CC3CC(C3)C2)c(Br)c1 ZINC001137638941 803747975 /nfs/dbraw/zinc/74/79/75/803747975.db2.gz BETMKVRRFPSWGO-UHFFFAOYSA-N 1 1 291.192 3.163 20 30 CGEDMO C=CC[N@H+](Cc1cccc(OC(C)=O)c1)C(C)(C)C ZINC001138045457 803840895 /nfs/dbraw/zinc/84/08/95/803840895.db2.gz PBXGZRHXVYZSIA-UHFFFAOYSA-N 1 1 261.365 3.398 20 30 CGEDMO C#CCOc1ccc(C[N@@H+](C)CC(C)(C)C)cc1OC ZINC001138345390 803898863 /nfs/dbraw/zinc/89/88/63/803898863.db2.gz DYPSAUQRTISITQ-UHFFFAOYSA-N 1 1 275.392 3.185 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1ccc(OC)c(Cl)c1 ZINC001138475317 803945779 /nfs/dbraw/zinc/94/57/79/803945779.db2.gz XBBSHKMSISVCQN-UHFFFAOYSA-N 1 1 266.772 3.474 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1ccc(OC)c(Cl)c1 ZINC001138475317 803945785 /nfs/dbraw/zinc/94/57/85/803945785.db2.gz XBBSHKMSISVCQN-UHFFFAOYSA-N 1 1 266.772 3.474 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2CCC[C@H](OC)CC2)c1O ZINC001138628377 803985803 /nfs/dbraw/zinc/98/58/03/803985803.db2.gz UASZHNIZCZOIGI-INIZCTEOSA-N 1 1 275.392 3.122 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cnc(SCC)nc1 ZINC001138657319 803994345 /nfs/dbraw/zinc/99/43/45/803994345.db2.gz YJASKULHNQSCNW-UHFFFAOYSA-N 1 1 265.426 3.377 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1CCOC[C@H](C)C1 ZINC001138663165 803996405 /nfs/dbraw/zinc/99/64/05/803996405.db2.gz PAOZMFMLTLPGOD-OAHLLOKOSA-N 1 1 275.392 3.110 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1CCOCC1(C)C ZINC001138665721 803996829 /nfs/dbraw/zinc/99/68/29/803996829.db2.gz VFXMOQJYLBDNNS-UHFFFAOYSA-N 1 1 275.392 3.252 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CCOCC1(C)C ZINC001138665721 803996835 /nfs/dbraw/zinc/99/68/35/803996835.db2.gz VFXMOQJYLBDNNS-UHFFFAOYSA-N 1 1 275.392 3.252 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CCOC[C@@H]1C(C)C ZINC001138665725 803996932 /nfs/dbraw/zinc/99/69/32/803996932.db2.gz VMGHXYNDYIKVMT-QGZVFWFLSA-N 1 1 289.419 3.498 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1CCOC[C@@H]1C(C)C ZINC001138665725 803996938 /nfs/dbraw/zinc/99/69/38/803996938.db2.gz VMGHXYNDYIKVMT-QGZVFWFLSA-N 1 1 289.419 3.498 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CCC[C@](C)(O)CC1 ZINC001138663004 803996997 /nfs/dbraw/zinc/99/69/97/803996997.db2.gz KQMWNNXVYMYDKT-SFHVURJKSA-N 1 1 289.419 3.378 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CC[C@@H](O)[C@@H](C)CC1 ZINC001138663577 803997409 /nfs/dbraw/zinc/99/74/09/803997409.db2.gz YRQQHTGRWNEHFO-DOTOQJQBSA-N 1 1 289.419 3.234 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+](C)C1CCN(C)CC1 ZINC001138662995 803997730 /nfs/dbraw/zinc/99/77/30/803997730.db2.gz KLFSBBHVWZCTAC-UHFFFAOYSA-N 1 1 288.435 3.168 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+](C)C1CCN(C)CC1 ZINC001138662995 803997738 /nfs/dbraw/zinc/99/77/38/803997738.db2.gz KLFSBBHVWZCTAC-UHFFFAOYSA-N 1 1 288.435 3.168 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+](C)[C@H]1CCCOC1 ZINC001138666018 803998837 /nfs/dbraw/zinc/99/88/37/803998837.db2.gz FNUUKKDWWXKCBN-INIZCTEOSA-N 1 1 275.392 3.252 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cnc3[nH]ccc3c2Cl)C1 ZINC001138936342 804077043 /nfs/dbraw/zinc/07/70/43/804077043.db2.gz ORKOPVGGSCEKPX-LLVKDONJSA-N 1 1 288.782 3.294 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2cnc3[nH]ccc3c2Cl)C1 ZINC001138936342 804077050 /nfs/dbraw/zinc/07/70/50/804077050.db2.gz ORKOPVGGSCEKPX-LLVKDONJSA-N 1 1 288.782 3.294 20 30 CGEDMO CCCCCCCC[C@@H](O)C[NH2+]C[C@H](N)CC(C)C ZINC001246000572 804098298 /nfs/dbraw/zinc/09/82/98/804098298.db2.gz LDGKYGZLEYRBRO-HZPDHXFCSA-N 1 1 272.477 3.061 20 30 CGEDMO CCCCCCCC[C@@H](O)CNC[C@H]([NH3+])CC(C)C ZINC001246000572 804098309 /nfs/dbraw/zinc/09/83/09/804098309.db2.gz LDGKYGZLEYRBRO-HZPDHXFCSA-N 1 1 272.477 3.061 20 30 CGEDMO CCCCCCCC[C@H](O)C[NH2+][C@@H]1CNCCC1(C)C ZINC001246004337 804098977 /nfs/dbraw/zinc/09/89/77/804098977.db2.gz OSVQMVULCHDDNG-JKSUJKDBSA-N 1 1 284.488 3.076 20 30 CGEDMO CCCCCCCCCC[C@@H](O)CN[C@H]1C[C@@H]([NH2+]C)C1 ZINC001246012556 804099091 /nfs/dbraw/zinc/09/90/91/804099091.db2.gz ATARRQFRTPUOSM-IXDOHACOSA-N 1 1 284.488 3.218 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCCC12CC[NH2+]CC2 ZINC001246032879 804102172 /nfs/dbraw/zinc/10/21/72/804102172.db2.gz MBPGEGDJWZLZIC-QGZVFWFLSA-N 1 1 296.499 3.316 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@@](C)(CO)CC1 ZINC001139028941 804112014 /nfs/dbraw/zinc/11/20/14/804112014.db2.gz JXMIOYQFBLOMGI-GOSISDBHSA-N 1 1 289.419 3.236 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001139030891 804115031 /nfs/dbraw/zinc/11/50/31/804115031.db2.gz XFXVEAHYWYGRGH-KKUMJFAQSA-N 1 1 261.340 3.184 20 30 CGEDMO CCn1ccc2ccc(C[N@@H+]3CC[C@H](C#N)C3)cc21 ZINC001139124733 804134194 /nfs/dbraw/zinc/13/41/94/804134194.db2.gz RQVWEFVPSKGKJE-CQSZACIVSA-N 1 1 253.349 3.007 20 30 CGEDMO CCn1ccc2ccc(C[N@H+]3CC[C@H](C#N)C3)cc21 ZINC001139124733 804134199 /nfs/dbraw/zinc/13/41/99/804134199.db2.gz RQVWEFVPSKGKJE-CQSZACIVSA-N 1 1 253.349 3.007 20 30 CGEDMO C=CC[C@@H]1N(C(=O)[C@@H]2CCCC[N@@H+]2C)CCCC1(C)C ZINC001139511538 804197787 /nfs/dbraw/zinc/19/77/87/804197787.db2.gz QRIXCKIMUDAVCT-GJZGRUSLSA-N 1 1 278.440 3.064 20 30 CGEDMO CCCCCCCCC[C@@H](C)[NH2+]C[C@]1(O)CCCNC1 ZINC001246235463 804229252 /nfs/dbraw/zinc/22/92/52/804229252.db2.gz YBJYLSZIXUAIFZ-SJORKVTESA-N 1 1 284.488 3.220 20 30 CGEDMO C#Cc1cccc(CN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC001246262603 804243703 /nfs/dbraw/zinc/24/37/03/804243703.db2.gz ITEQXVIPLHLPAT-WOJBJXKFSA-N 1 1 290.410 3.251 20 30 CGEDMO N#Cc1c(Cl)cccc1C[N@@H+]1CC[C@@]2(C1)CCCCO2 ZINC001139686662 804254035 /nfs/dbraw/zinc/25/40/35/804254035.db2.gz AUNLLDHJGOHWBL-MRXNPFEDSA-N 1 1 290.794 3.357 20 30 CGEDMO N#Cc1c(Cl)cccc1C[N@H+]1CC[C@@]2(C1)CCCCO2 ZINC001139686662 804254042 /nfs/dbraw/zinc/25/40/42/804254042.db2.gz AUNLLDHJGOHWBL-MRXNPFEDSA-N 1 1 290.794 3.357 20 30 CGEDMO C[N@H+](Cc1c[nH]c2c1cccc2C#N)CC1CCC1 ZINC001139703358 804260526 /nfs/dbraw/zinc/26/05/26/804260526.db2.gz OPKZRHDCYPSSTP-UHFFFAOYSA-N 1 1 253.349 3.271 20 30 CGEDMO N#Cc1cccc2c(C[N@H+]3CC4CCC3CC4)c[nH]c21 ZINC001139703064 804261555 /nfs/dbraw/zinc/26/15/55/804261555.db2.gz ICDFMFFKEGFTRT-UHFFFAOYSA-N 1 1 265.360 3.414 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCc3cc(O)ccc3C2)cc1C#N ZINC001139725029 804266641 /nfs/dbraw/zinc/26/66/41/804266641.db2.gz ZRBSVMMGLVJOPK-UHFFFAOYSA-N 1 1 278.355 3.131 20 30 CGEDMO Cc1ccc(C[N@H+]2CCc3cc(O)ccc3C2)cc1C#N ZINC001139725029 804266647 /nfs/dbraw/zinc/26/66/47/804266647.db2.gz ZRBSVMMGLVJOPK-UHFFFAOYSA-N 1 1 278.355 3.131 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@H](C(F)F)C2)cc1C#N ZINC001139726263 804267648 /nfs/dbraw/zinc/26/76/48/804267648.db2.gz CXBYTGWGZWSMLX-ZDUSSCGKSA-N 1 1 264.319 3.344 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(C)c(F)c2F)no1 ZINC001212325157 815005205 /nfs/dbraw/zinc/00/52/05/815005205.db2.gz KWLHJMPMMDLPSS-NSHDSACASA-N 1 1 291.301 3.127 20 30 CGEDMO C=CCn1cc(C[N@@H+](C)CCc2cccc(C)c2)cn1 ZINC001139772749 804280166 /nfs/dbraw/zinc/28/01/66/804280166.db2.gz QFIOJUGQCGDFHY-UHFFFAOYSA-N 1 1 269.392 3.052 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001246460935 804342411 /nfs/dbraw/zinc/34/24/11/804342411.db2.gz LDXUQBFUYUFLFO-HNAYVOBHSA-N 1 1 297.446 3.001 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2cc3ccccc3cn2)CC1 ZINC001139999036 804348529 /nfs/dbraw/zinc/34/85/29/804348529.db2.gz NSYGZMMMWMNTMH-CQSZACIVSA-N 1 1 265.360 3.360 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)CC[C@@]1(C)O ZINC001140110009 804379118 /nfs/dbraw/zinc/37/91/18/804379118.db2.gz CYGSTNZSMJOZFB-SCLBCKFNSA-N 1 1 297.402 3.022 20 30 CGEDMO C[N@@H+](Cc1c[nH]c2ccc(C#N)cc12)C1CCCC1 ZINC001140114084 804380890 /nfs/dbraw/zinc/38/08/90/804380890.db2.gz JXNJKBOZVGEVHQ-UHFFFAOYSA-N 1 1 253.349 3.414 20 30 CGEDMO COC(C)(C)[C@@H]1CCC[N@H+]1Cc1c[nH]c2ccc(C#N)cc12 ZINC001140114920 804381065 /nfs/dbraw/zinc/38/10/65/804381065.db2.gz GACKQKGIGORBGR-KRWDZBQOSA-N 1 1 297.402 3.429 20 30 CGEDMO N#Cc1ccc2[nH]cc(C[N@@H+]3CCc4ncsc4C3)c2c1 ZINC001140115047 804381502 /nfs/dbraw/zinc/38/15/02/804381502.db2.gz KTRSHRRKOYILPA-UHFFFAOYSA-N 1 1 294.383 3.054 20 30 CGEDMO N#Cc1ccc2[nH]cc(C[N@H+]3CCc4ncsc4C3)c2c1 ZINC001140115047 804381509 /nfs/dbraw/zinc/38/15/09/804381509.db2.gz KTRSHRRKOYILPA-UHFFFAOYSA-N 1 1 294.383 3.054 20 30 CGEDMO Cc1ccc2n[nH]c(C[N@@H+](C)Cc3cccc(C#N)c3)c2c1 ZINC001140333097 804416432 /nfs/dbraw/zinc/41/64/32/804416432.db2.gz BDLJTMZWBHGUEL-UHFFFAOYSA-N 1 1 290.370 3.375 20 30 CGEDMO Cc1ccc2n[nH]c(C[N@H+](C)Cc3cccc(C#N)c3)c2c1 ZINC001140333097 804416436 /nfs/dbraw/zinc/41/64/36/804416436.db2.gz BDLJTMZWBHGUEL-UHFFFAOYSA-N 1 1 290.370 3.375 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2cccs2)cn1 ZINC001140543125 804457995 /nfs/dbraw/zinc/45/79/95/804457995.db2.gz KUAUWQZJYNXCOY-CQSZACIVSA-N 1 1 269.373 3.352 20 30 CGEDMO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccc(C#N)nc1 ZINC001140544324 804458202 /nfs/dbraw/zinc/45/82/02/804458202.db2.gz JZHUEPFQYDWNDC-QGZVFWFLSA-N 1 1 293.370 3.299 20 30 CGEDMO COc1ccccc1[C@H]1CCC[N@H+]1Cc1ccc(C#N)nc1 ZINC001140544324 804458208 /nfs/dbraw/zinc/45/82/08/804458208.db2.gz JZHUEPFQYDWNDC-QGZVFWFLSA-N 1 1 293.370 3.299 20 30 CGEDMO N#Cc1ccc(C2CCC([N@@H+]3CCCC34CNC4)CC2)cc1 ZINC001246643727 804470739 /nfs/dbraw/zinc/47/07/39/804470739.db2.gz SWPICKZTINIKQX-UHFFFAOYSA-N 1 1 295.430 3.022 20 30 CGEDMO N#Cc1ccc(C2CCC([N@H+]3CCCC34CNC4)CC2)cc1 ZINC001246643727 804470743 /nfs/dbraw/zinc/47/07/43/804470743.db2.gz SWPICKZTINIKQX-UHFFFAOYSA-N 1 1 295.430 3.022 20 30 CGEDMO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C#N)ccc1Cl ZINC001140604041 804473408 /nfs/dbraw/zinc/47/34/08/804473408.db2.gz NQVZUEHBFXWOHS-YIONKMFJSA-N 1 1 290.794 3.353 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2Cl)[C@H](C)C1 ZINC001140603710 804473560 /nfs/dbraw/zinc/47/35/60/804473560.db2.gz ZSMFGUBMBSTTBI-RISCZKNCSA-N 1 1 278.783 3.211 20 30 CGEDMO C[N@H+](C1CCC(c2ccc(C#N)cc2)CC1)[C@@H]1CCCNC1 ZINC001246680597 804494367 /nfs/dbraw/zinc/49/43/67/804494367.db2.gz VXHCUYYBORTJCA-CTWPCTMYSA-N 1 1 297.446 3.268 20 30 CGEDMO C[N@@H+](C1CCC(c2ccc(C#N)cc2)CC1)[C@@H]1CCCNC1 ZINC001246680597 804494370 /nfs/dbraw/zinc/49/43/70/804494370.db2.gz VXHCUYYBORTJCA-CTWPCTMYSA-N 1 1 297.446 3.268 20 30 CGEDMO CCCCCCCCCC[C@H](C)[N@H+]1CCN[C@@H](CO)C1 ZINC001246795288 804517274 /nfs/dbraw/zinc/51/72/74/804517274.db2.gz IJRROWYYIVYEGO-DLBZAZTESA-N 1 1 284.488 3.172 20 30 CGEDMO CCCCCCCCCC[C@H](C)N1CC[NH2+][C@@H](CO)C1 ZINC001246795288 804517275 /nfs/dbraw/zinc/51/72/75/804517275.db2.gz IJRROWYYIVYEGO-DLBZAZTESA-N 1 1 284.488 3.172 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2Cl)CCC[C@]1(C)O ZINC001140808183 804524086 /nfs/dbraw/zinc/52/40/86/804524086.db2.gz LOFRSLXGSZZMMO-WBMJQRKESA-N 1 1 292.810 3.195 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@@]3(C2)CCCCO3)c1Cl ZINC001140808740 804525714 /nfs/dbraw/zinc/52/57/14/804525714.db2.gz YYQNLGVCRDOSMV-MRXNPFEDSA-N 1 1 290.794 3.357 20 30 CGEDMO CC[C@@H]1CNCC[N@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001246807156 804525909 /nfs/dbraw/zinc/52/59/09/804525909.db2.gz ZQKAFJNZVVPJQQ-LMDPOFIKSA-N 1 1 297.446 3.074 20 30 CGEDMO CC[C@@H]1C[NH2+]CCN1C1CCC(C#N)(c2ccccc2)CC1 ZINC001246807156 804525911 /nfs/dbraw/zinc/52/59/11/804525911.db2.gz ZQKAFJNZVVPJQQ-LMDPOFIKSA-N 1 1 297.446 3.074 20 30 CGEDMO N#CC1CCC([N@@H+]2CCC[C@H](F)C(F)(F)C2)CC1 ZINC001256964774 807018521 /nfs/dbraw/zinc/01/85/21/807018521.db2.gz CUSKZPYJCZCAEU-MCIGGMRASA-N 1 1 260.303 3.138 20 30 CGEDMO N#CC1CCC([N@H+]2CCC[C@H](F)C(F)(F)C2)CC1 ZINC001256964774 807018529 /nfs/dbraw/zinc/01/85/29/807018529.db2.gz CUSKZPYJCZCAEU-MCIGGMRASA-N 1 1 260.303 3.138 20 30 CGEDMO N#Cc1ccc(C2CCC([N@@H+]3C[C@@H]4CC[C@@]4(N)C3)CC2)cc1 ZINC001246862755 804567703 /nfs/dbraw/zinc/56/77/03/804567703.db2.gz RCKNZRUIQFBQKF-VLOYRQLPSA-N 1 1 295.430 3.008 20 30 CGEDMO N#Cc1ccc(C2CCC([N@H+]3C[C@@H]4CC[C@@]4(N)C3)CC2)cc1 ZINC001246862755 804567706 /nfs/dbraw/zinc/56/77/06/804567706.db2.gz RCKNZRUIQFBQKF-VLOYRQLPSA-N 1 1 295.430 3.008 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+](C)[C@@]3(C)CCCNC3)C[C@H](C1)C2 ZINC001246910893 804594401 /nfs/dbraw/zinc/59/44/01/804594401.db2.gz LDFTYWKQXXNVMJ-WFVVYAPDSA-N 1 1 262.441 3.195 20 30 CGEDMO C=C1C[C@@H]2CC(N(C)[C@@]3(C)CCC[NH2+]C3)C[C@H](C1)C2 ZINC001246910893 804594407 /nfs/dbraw/zinc/59/44/07/804594407.db2.gz LDFTYWKQXXNVMJ-WFVVYAPDSA-N 1 1 262.441 3.195 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CCC[C@H](NC4CC4)C3)C[C@H](C1)C2 ZINC001246921725 804602662 /nfs/dbraw/zinc/60/26/62/804602662.db2.gz RGFHZPRGFYTNNF-HZSIZEEPSA-N 1 1 274.452 3.338 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCC[C@H](NC4CC4)C3)C[C@H](C1)C2 ZINC001246921725 804602664 /nfs/dbraw/zinc/60/26/64/804602664.db2.gz RGFHZPRGFYTNNF-HZSIZEEPSA-N 1 1 274.452 3.338 20 30 CGEDMO C[C@@H]1[C@@H](N)CCC[N@H+]1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246937203 804608538 /nfs/dbraw/zinc/60/85/38/804608538.db2.gz HQQNQLYKPWUHCK-UJPJLTBQSA-N 1 1 297.446 3.396 20 30 CGEDMO C[C@@H]1[C@@H]([NH3+])CCCN1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246937203 804608544 /nfs/dbraw/zinc/60/85/44/804608544.db2.gz HQQNQLYKPWUHCK-UJPJLTBQSA-N 1 1 297.446 3.396 20 30 CGEDMO N#CCC1CCC([N@H+]([C@@H]2CCNC2)C2CCCCC2)CC1 ZINC001246978510 804625627 /nfs/dbraw/zinc/62/56/27/804625627.db2.gz LDADURXTBJCZGQ-VMWRSERWSA-N 1 1 289.467 3.455 20 30 CGEDMO N#CCC1CCC([N@@H+]([C@@H]2CCNC2)C2CCCCC2)CC1 ZINC001246978510 804625630 /nfs/dbraw/zinc/62/56/30/804625630.db2.gz LDADURXTBJCZGQ-VMWRSERWSA-N 1 1 289.467 3.455 20 30 CGEDMO C/C(=N\O)c1ccc(NCC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC001165300466 806990671 /nfs/dbraw/zinc/99/06/71/806990671.db2.gz ORUPPBJGMIAFRV-RAOBZKRQSA-N 1 1 275.396 3.029 20 30 CGEDMO N#C[C@@H]1CCC[N@H+]([C@H]2CCO[C@@H](c3ccccc3)C2)C1 ZINC001256820630 806985980 /nfs/dbraw/zinc/98/59/80/806985980.db2.gz KGDNYGDLSITQPP-BHYGNILZSA-N 1 1 270.376 3.142 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2cc(F)c(F)cc2C)no1 ZINC001247622730 804782998 /nfs/dbraw/zinc/78/29/98/804782998.db2.gz RFWXTVBROPAKJA-LBPRGKRZSA-N 1 1 279.290 3.289 20 30 CGEDMO N#Cc1ccc2c(C[N@H+]3CC4CCC3CC4)c[nH]c2c1 ZINC001142922426 804784642 /nfs/dbraw/zinc/78/46/42/804784642.db2.gz HLNWOMCJWLMIKQ-UHFFFAOYSA-N 1 1 265.360 3.414 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2ccc(N3CCCC3)cc2)no1 ZINC001247623073 804784857 /nfs/dbraw/zinc/78/48/57/804784857.db2.gz WQXWUHRWPZFQDQ-OAHLLOKOSA-N 1 1 298.390 3.303 20 30 CGEDMO C[N@@H+](CCC1CC1)Cc1c[nH]c2cc(C#N)ccc12 ZINC001142922377 804785026 /nfs/dbraw/zinc/78/50/26/804785026.db2.gz FWDSSZABFFBHOH-UHFFFAOYSA-N 1 1 253.349 3.271 20 30 CGEDMO COc1cc(C)c(C[N@@H+]2CCC[C@@H](C#N)C2)c(C)c1 ZINC001142934931 804787330 /nfs/dbraw/zinc/78/73/30/804787330.db2.gz IEAIPMLLCFMBEU-AWEZNQCLSA-N 1 1 258.365 3.048 20 30 CGEDMO COc1cc(C)c(C[N@H+]2CCC[C@@H](C#N)C2)c(C)c1 ZINC001142934931 804787334 /nfs/dbraw/zinc/78/73/34/804787334.db2.gz IEAIPMLLCFMBEU-AWEZNQCLSA-N 1 1 258.365 3.048 20 30 CGEDMO C[C@]1(C#N)CC[N@H+]([C@H]2CCO[C@H](c3ccccc3)C2)C1 ZINC001256828166 806988506 /nfs/dbraw/zinc/98/85/06/806988506.db2.gz FRVCXJDRSVOYQK-YESZJQIVSA-N 1 1 270.376 3.142 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2ccccc2N2CCCCC2)no1 ZINC001247968221 804858687 /nfs/dbraw/zinc/85/86/87/804858687.db2.gz WKIGTWIKPMUDAU-AWEZNQCLSA-N 1 1 298.390 3.303 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2cc(Cl)ccc2C)no1 ZINC001247968147 804858974 /nfs/dbraw/zinc/85/89/74/804858974.db2.gz UFCWNQFXFALGIQ-NSHDSACASA-N 1 1 263.728 3.274 20 30 CGEDMO Cc1cc(-c2noc([C@H]([NH3+])CC(C)(C)C)n2)ccc1C#N ZINC001248205189 804894713 /nfs/dbraw/zinc/89/47/13/804894713.db2.gz FPTLPQWPAGUVIS-CYBMUJFWSA-N 1 1 284.363 3.353 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001144075709 804934151 /nfs/dbraw/zinc/93/41/51/804934151.db2.gz SYPYYYYHHQKSSJ-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2c2cccnc2)nc1 ZINC001144160162 804946747 /nfs/dbraw/zinc/94/67/47/804946747.db2.gz ATZRJUBTATVGAJ-KRWDZBQOSA-N 1 1 278.359 3.075 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCC[C@H]2c2cccnc2)nc1 ZINC001144160162 804946752 /nfs/dbraw/zinc/94/67/52/804946752.db2.gz ATZRJUBTATVGAJ-KRWDZBQOSA-N 1 1 278.359 3.075 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@@H+](CCO)Cc1ccccc1 ZINC001248742679 804981456 /nfs/dbraw/zinc/98/14/56/804981456.db2.gz GSGDHUOTYPHFCO-UHFFFAOYSA-N 1 1 294.398 3.115 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2ccc(F)c3cc[nH]c32)CC1 ZINC001248817611 805004742 /nfs/dbraw/zinc/00/47/42/805004742.db2.gz CWAXELHSEWZHOI-GFCCVEGCSA-N 1 1 271.339 3.433 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC[C@@H]2Cc2ccccn2)cc1 ZINC001144573448 805008620 /nfs/dbraw/zinc/00/86/20/805008620.db2.gz KLKHAVNMSLPRKW-LJQANCHMSA-N 1 1 276.383 3.270 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H]2C(C)(C)OC)cc1 ZINC001144576971 805008924 /nfs/dbraw/zinc/00/89/24/805008924.db2.gz YRQRNOPNRGLVQV-MRXNPFEDSA-N 1 1 257.377 3.057 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)C(CC)CC)C2)C1 ZINC001147025842 805104570 /nfs/dbraw/zinc/10/45/70/805104570.db2.gz FZPGOBRUBYENFP-OAHLLOKOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(CN(C(=O)CC(C)(C)C=C)C2)C1 ZINC001147652382 805142194 /nfs/dbraw/zinc/14/21/94/805142194.db2.gz HHBLKBGMDQYKKK-UHFFFAOYSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC2(C1)CC[N@@H+](CC=C(C)C)C2 ZINC001148124362 805164151 /nfs/dbraw/zinc/16/41/51/805164151.db2.gz BCMUDBUBYARXGG-MRXNPFEDSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC2(CN(C(=O)C(C)(C)C)C2)C1 ZINC001148640537 805202486 /nfs/dbraw/zinc/20/24/86/805202486.db2.gz IWYPJFMZCCOMPY-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO Cc1cc(Nc2cc(C#N)cn2C(C)(C)C)c[nH+]c1N ZINC001249782102 805243645 /nfs/dbraw/zinc/24/36/45/805243645.db2.gz PAOAIYDFJXMYLJ-UHFFFAOYSA-N 1 1 269.352 3.144 20 30 CGEDMO Cc1cc(Nc2ccc(Cl)c(C#N)c2)c[nH+]c1N ZINC001249788951 805248075 /nfs/dbraw/zinc/24/80/75/805248075.db2.gz UGCWPIFMOSKNGQ-UHFFFAOYSA-N 1 1 258.712 3.241 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)c1ccccc1C ZINC001151643965 805303337 /nfs/dbraw/zinc/30/33/37/805303337.db2.gz JGRKOTGNASJFNY-MRXNPFEDSA-N 1 1 288.435 3.401 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC=CCC1 ZINC001151836090 805316182 /nfs/dbraw/zinc/31/61/82/805316182.db2.gz BMBXKQDKULORFD-HZPDHXFCSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C(CC)CC ZINC001151981259 805328751 /nfs/dbraw/zinc/32/87/51/805328751.db2.gz WBWJXUYOSUDFJK-GFCCVEGCSA-N 1 1 274.836 3.002 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C(CC)CC ZINC001151981259 805328760 /nfs/dbraw/zinc/32/87/60/805328760.db2.gz WBWJXUYOSUDFJK-GFCCVEGCSA-N 1 1 274.836 3.002 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)C1CCCCCC1 ZINC001152297655 805342025 /nfs/dbraw/zinc/34/20/25/805342025.db2.gz PLZBILSRXZXHNG-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)CC(C)(C)CC ZINC001153566364 805402802 /nfs/dbraw/zinc/40/28/02/805402802.db2.gz BNGJSGPZBGHTID-CQSZACIVSA-N 1 1 268.445 3.215 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H](C)[N@@H+](CC)CCC(C)C ZINC001153636420 805409961 /nfs/dbraw/zinc/40/99/61/805409961.db2.gz SSPDMTKDWDYMLF-OAHLLOKOSA-N 1 1 268.445 3.215 20 30 CGEDMO COc1cc(F)c(C)cc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001250109721 805422252 /nfs/dbraw/zinc/42/22/52/805422252.db2.gz QADYQTNRCACFGE-ZDUSSCGKSA-N 1 1 276.355 3.268 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)C(C)(C)C ZINC001154026690 805428747 /nfs/dbraw/zinc/42/87/47/805428747.db2.gz RMRNIPKPJJAWPC-CHWSQXEVSA-N 1 1 288.863 3.248 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)C(C)(C)C ZINC001154026690 805428752 /nfs/dbraw/zinc/42/87/52/805428752.db2.gz RMRNIPKPJJAWPC-CHWSQXEVSA-N 1 1 288.863 3.248 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)CCC(C)(F)F ZINC001154059544 805430440 /nfs/dbraw/zinc/43/04/40/805430440.db2.gz XFVLPXMLGGTZPQ-LLVKDONJSA-N 1 1 296.789 3.001 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)CCC(C)(F)F ZINC001154059544 805430442 /nfs/dbraw/zinc/43/04/42/805430442.db2.gz XFVLPXMLGGTZPQ-LLVKDONJSA-N 1 1 296.789 3.001 20 30 CGEDMO C=CC[N@H+](C)Cc1cc(C)c(Br)cc1O ZINC001250129140 805432756 /nfs/dbraw/zinc/43/27/56/805432756.db2.gz YUCUAQIYYXRZSN-UHFFFAOYSA-N 1 1 270.170 3.081 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001154406736 805454918 /nfs/dbraw/zinc/45/49/18/805454918.db2.gz QWHOFIVJBPLASL-PVAVHDDUSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)C1(C2CCC2)CCC1 ZINC001154488929 805458716 /nfs/dbraw/zinc/45/87/16/805458716.db2.gz OSZHHZOVCDMUJQ-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)C1CCC1 ZINC001154500866 805460149 /nfs/dbraw/zinc/46/01/49/805460149.db2.gz OHNWDIHYGPTMRV-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)C[C@H]1CC=CCC1 ZINC001154632548 805469056 /nfs/dbraw/zinc/46/90/56/805469056.db2.gz YACQHLRKGUODQI-CVEARBPZSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)CC(C)C ZINC001154756864 805482797 /nfs/dbraw/zinc/48/27/97/805482797.db2.gz IXLIMTNDYGPDHP-HUUCEWRRSA-N 1 1 268.445 3.071 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1cc[nH]c1C(C)C ZINC001154774335 805484516 /nfs/dbraw/zinc/48/45/16/805484516.db2.gz DBIXJCBIKRVYGG-CQSZACIVSA-N 1 1 291.439 3.154 20 30 CGEDMO C[N@H+]1CCC[C@@H](CCNc2ncc3ccccc3c2C#N)C1 ZINC001165260805 806982120 /nfs/dbraw/zinc/98/21/20/806982120.db2.gz JENFYCOCYRXHOW-AWEZNQCLSA-N 1 1 294.402 3.250 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)c1cccs1 ZINC001155199901 805555691 /nfs/dbraw/zinc/55/56/91/805555691.db2.gz LSAJHBBRFODILL-ZIAGYGMSSA-N 1 1 294.464 3.254 20 30 CGEDMO CN(C)CCC[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257008027 807025505 /nfs/dbraw/zinc/02/55/05/807025505.db2.gz HDHOPMZMPZBWFK-UHFFFAOYSA-N 1 1 285.435 3.126 20 30 CGEDMO N#CC[C@@H]1CCCN(c2ccc3c([nH+]2)CCCC3)C1 ZINC001166743429 807091375 /nfs/dbraw/zinc/09/13/75/807091375.db2.gz RXHGRXCYZFLNGW-ZDUSSCGKSA-N 1 1 255.365 3.090 20 30 CGEDMO CN(CC1CCCCC1)c1[nH+]ccc2[nH]cc(C#N)c21 ZINC001167097327 807149160 /nfs/dbraw/zinc/14/91/60/807149160.db2.gz WGXHHPFWLYDIBV-UHFFFAOYSA-N 1 1 268.364 3.451 20 30 CGEDMO C#CCCCCCC[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC001167100839 807149917 /nfs/dbraw/zinc/14/99/17/807149917.db2.gz OEGRODWHZTZWGD-MRXNPFEDSA-N 1 1 271.408 3.240 20 30 CGEDMO N#Cc1ccnc(C[N@H+]2CCCC3(CCCCC3)C2)c1 ZINC001167340795 807184594 /nfs/dbraw/zinc/18/45/94/807184594.db2.gz CJFYRAPFPZUTES-UHFFFAOYSA-N 1 1 269.392 3.500 20 30 CGEDMO C[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001167628292 807218999 /nfs/dbraw/zinc/21/89/99/807218999.db2.gz BPGCOJPJWOBTSO-AUUYWEPGSA-N 1 1 292.382 3.211 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3C[C@H](CO)CC[C@H]3C)C[C@H](C1)C2 ZINC001257892180 807242759 /nfs/dbraw/zinc/24/27/59/807242759.db2.gz VFBXGELESWWFLE-DNLWUEFJSA-N 1 1 263.425 3.214 20 30 CGEDMO C=C1C[C@@H]2CC(N3CC[N@H+]4CCCC[C@H]4C3)C[C@H](C1)C2 ZINC001257892765 807242990 /nfs/dbraw/zinc/24/29/90/807242990.db2.gz DFJLMPOZPZSQPK-KTGAGVNESA-N 1 1 274.452 3.291 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CCN4CCCC[C@H]4C3)C[C@H](C1)C2 ZINC001257892765 807242994 /nfs/dbraw/zinc/24/29/94/807242994.db2.gz DFJLMPOZPZSQPK-KTGAGVNESA-N 1 1 274.452 3.291 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCN4CCCC[C@H]4C3)C[C@H](C1)C2 ZINC001257892765 807242999 /nfs/dbraw/zinc/24/29/99/807242999.db2.gz DFJLMPOZPZSQPK-KTGAGVNESA-N 1 1 274.452 3.291 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3C[C@H](C(=O)OC)C[C@H](C)C3)C[C@H](C1)C2 ZINC001257894907 807244100 /nfs/dbraw/zinc/24/41/00/807244100.db2.gz BXTQAZQRUDONSX-LADIWZGKSA-N 1 1 291.435 3.252 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCC[C@H](n4cncn4)C3)C[C@H](C1)C2 ZINC001257895172 807245354 /nfs/dbraw/zinc/24/53/54/807245354.db2.gz KCFLXKUEPSOMNN-TVXGVJEUSA-N 1 1 286.423 3.050 20 30 CGEDMO C=C1C[C@@H]2CC(N3CCC[C@H]4C[N@H+](C)C[C@@H]43)C[C@H](C1)C2 ZINC001257895531 807245670 /nfs/dbraw/zinc/24/56/70/807245670.db2.gz SLSURXDQFMOHMU-VTEPJNGRSA-N 1 1 274.452 3.147 20 30 CGEDMO N#C[C@H]1CC[C@H](Nc2[nH+]cnc3[nH]c4c(c32)CCCC4)CC1 ZINC001167840589 807260384 /nfs/dbraw/zinc/26/03/84/807260384.db2.gz DNGHCIHAHSRHGX-HAQNSBGRSA-N 1 1 295.390 3.331 20 30 CGEDMO CCCCCCC[C@@H](C)n1c(C)ncc(C[NH3+])c1=N ZINC001258038664 807270075 /nfs/dbraw/zinc/27/00/75/807270075.db2.gz CFBKPVSNXJVDCF-GFCCVEGCSA-N 1 1 264.417 3.051 20 30 CGEDMO CCCCCCC[C@H](C)[NH2+]C1(C(=O)OCC)CCOCC1 ZINC001258042084 807272950 /nfs/dbraw/zinc/27/29/50/807272950.db2.gz GMBGRFPAHJPZJS-HNNXBMFYSA-N 1 1 299.455 3.437 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CCC[C@@H](NC(C)=O)C1 ZINC001258047713 807275889 /nfs/dbraw/zinc/27/58/89/807275889.db2.gz NPXMZZKHVSKHJL-GOEBONIOSA-N 1 1 268.445 3.336 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC001258050489 807276996 /nfs/dbraw/zinc/27/69/96/807276996.db2.gz VZMNCOHGZQGSDY-HZPDHXFCSA-N 1 1 297.487 3.471 20 30 CGEDMO C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC001258170265 807336989 /nfs/dbraw/zinc/33/69/89/807336989.db2.gz BRMIDLCIGMGAFO-QXSJWSMHSA-N 1 1 294.439 3.188 20 30 CGEDMO CCCCCCCCC[C@H](C)[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC001258229227 807376678 /nfs/dbraw/zinc/37/66/78/807376678.db2.gz OJVJJTNDABJWIO-GVDBMIGSSA-N 1 1 285.472 3.191 20 30 CGEDMO CCCCCCCCC[C@H](C)[N@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC001258228688 807377481 /nfs/dbraw/zinc/37/74/81/807377481.db2.gz JNHUDOQXCCPDQM-YESZJQIVSA-N 1 1 285.472 3.191 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC001168424915 807411202 /nfs/dbraw/zinc/41/12/02/807411202.db2.gz YLBCUWLVSTXRQG-OLZOCXBDSA-N 1 1 259.340 3.089 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@@H]2CCO[C@H](c3ccc(OC)cc3)C2)C1 ZINC001168665317 807471442 /nfs/dbraw/zinc/47/14/42/807471442.db2.gz PASLCNYMPVYEAT-SUMDDJOVSA-N 1 1 299.414 3.261 20 30 CGEDMO N#C[C@H]1CC[N@H+](C2CCN(c3ccccc3Cl)CC2)C1 ZINC001258545977 807491687 /nfs/dbraw/zinc/49/16/87/807491687.db2.gz OBQUJEQCVISEHN-CYBMUJFWSA-N 1 1 289.810 3.154 20 30 CGEDMO N#C[C@@H]1CCC[N@H+]([C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168734687 807498816 /nfs/dbraw/zinc/49/88/16/807498816.db2.gz KGHPOQFOAJKDRJ-OCCSQVGLSA-N 1 1 274.795 3.433 20 30 CGEDMO C=CCn1ccc2c1nc[nH+]c2NC(C1CC1)C1CC1 ZINC001168742552 807501394 /nfs/dbraw/zinc/50/13/94/807501394.db2.gz NIPRRSXVPLBDQS-UHFFFAOYSA-N 1 1 268.364 3.218 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168872122 807532805 /nfs/dbraw/zinc/53/28/05/807532805.db2.gz KYAYEWZICBXJIQ-KGLIPLIRSA-N 1 1 282.428 3.282 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001258725552 807573434 /nfs/dbraw/zinc/57/34/34/807573434.db2.gz MHAHDTDBAMCCAP-QJPTWQEYSA-N 1 1 283.309 3.068 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCC12CN(C(=O)OC(C)(C)C)C2 ZINC001258727516 807575129 /nfs/dbraw/zinc/57/51/29/807575129.db2.gz HZFSCCOSKDXLIG-AWEZNQCLSA-N 1 1 294.439 3.426 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001258729466 807576776 /nfs/dbraw/zinc/57/67/76/807576776.db2.gz VIYYXBBMSYPEEQ-KBPBESRZSA-N 1 1 282.428 3.282 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCc2ncc(Cl)cc2C1 ZINC001258733513 807578668 /nfs/dbraw/zinc/57/86/68/807578668.db2.gz HLUCZYZPPFUDGH-NSHDSACASA-N 1 1 250.773 3.448 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(c2cccc(C)n2)CC1 ZINC001258732694 807579073 /nfs/dbraw/zinc/57/90/73/807579073.db2.gz PAZYDESGBWMHRM-INIZCTEOSA-N 1 1 273.424 3.257 20 30 CGEDMO C#CCN([C@@H]1CCc2ccccc21)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169143127 807590039 /nfs/dbraw/zinc/59/00/39/807590039.db2.gz YCLXLOWOQWBNHX-DOADOZAASA-N 1 1 294.442 3.234 20 30 CGEDMO C#CC[N@H+]([C@@H]1CCc2ccccc21)[C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169143127 807590043 /nfs/dbraw/zinc/59/00/43/807590043.db2.gz YCLXLOWOQWBNHX-DOADOZAASA-N 1 1 294.442 3.234 20 30 CGEDMO C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169143127 807590050 /nfs/dbraw/zinc/59/00/50/807590050.db2.gz YCLXLOWOQWBNHX-DOADOZAASA-N 1 1 294.442 3.234 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH2+][C@@H](CCC)CCCC)C(=O)OCC ZINC001258757187 807596507 /nfs/dbraw/zinc/59/65/07/807596507.db2.gz KAYXBUDRQVNJOS-IJEWVQPXSA-N 1 1 267.413 3.443 20 30 CGEDMO COc1ccccc1C[C@H](C)[N@H+]1CCC[C@H](C#N)CC1 ZINC001258893397 807666706 /nfs/dbraw/zinc/66/67/06/807666706.db2.gz IQTXBWRDIDCKBL-GJZGRUSLSA-N 1 1 272.392 3.252 20 30 CGEDMO CCCCCCC[N@@H+](C)C1CCC(S(C)(=O)=O)CC1 ZINC001169885721 807721105 /nfs/dbraw/zinc/72/11/05/807721105.db2.gz UUBUFAABXASALJ-UHFFFAOYSA-N 1 1 289.485 3.244 20 30 CGEDMO C=CC[N@@H+](CCOC)CCC1(C(=O)OC(C)(C)C)CCC1 ZINC001169901503 807722151 /nfs/dbraw/zinc/72/21/51/807722151.db2.gz UZEBTOQXKHIYFV-UHFFFAOYSA-N 1 1 297.439 3.023 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001261360653 807738474 /nfs/dbraw/zinc/73/84/74/807738474.db2.gz SICJNANYCKEKCE-KBPBESRZSA-N 1 1 282.391 3.435 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1COC(=O)N1CCCC1 ZINC001170139211 807772617 /nfs/dbraw/zinc/77/26/17/807772617.db2.gz ICGSEMQQFIVKFL-OAHLLOKOSA-N 1 1 280.412 3.040 20 30 CGEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+]([C@@H]1CC[C@@H](C)C1)CCO2 ZINC001170138428 807772949 /nfs/dbraw/zinc/77/29/49/807772949.db2.gz REFUFRLTJFANFJ-XMTFNYHQSA-N 1 1 293.451 3.249 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170350976 807827607 /nfs/dbraw/zinc/82/76/07/807827607.db2.gz CYDQTONBTWIVII-ZDUSSCGKSA-N 1 1 292.379 3.432 20 30 CGEDMO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CC2(F)F)CC1 ZINC001170360251 807829377 /nfs/dbraw/zinc/82/93/77/807829377.db2.gz URBINRVPVFHYBK-SLTAFYQDSA-N 1 1 276.330 3.388 20 30 CGEDMO CC(C)(N)C(C)(C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170365216 807831162 /nfs/dbraw/zinc/83/11/62/807831162.db2.gz QFHYNRNUMGAYEE-UHFFFAOYSA-N 1 1 299.462 3.496 20 30 CGEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCC[C@@H](O)CC2)CC1 ZINC001170379403 807831675 /nfs/dbraw/zinc/83/16/75/807831675.db2.gz XFXKWBKZZGNLCV-JLAWEPINSA-N 1 1 298.430 3.237 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)[C@@H]1CC[C@@H](C(=O)OC)C1 ZINC001170555325 807856674 /nfs/dbraw/zinc/85/66/74/807856674.db2.gz ZBYGSLMUTPVDIG-IAGOWNOFSA-N 1 1 287.403 3.406 20 30 CGEDMO CC#CC[N@H+]1CCN(c2ccc(Cl)cc2)CC1(C)C ZINC001170661392 807871005 /nfs/dbraw/zinc/87/10/05/807871005.db2.gz LTBVAEDXNYDBBS-UHFFFAOYSA-N 1 1 276.811 3.264 20 30 CGEDMO C[C@@H](Nc1cnccc1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001262689725 807895978 /nfs/dbraw/zinc/89/59/78/807895978.db2.gz IGXXVLVUVSQMGW-UKRRQHHQSA-N 1 1 284.407 3.018 20 30 CGEDMO N#C[C@@H]1CC=C(Nc2cc[nH+]cc2C(F)(F)F)CC1 ZINC001212854342 815159476 /nfs/dbraw/zinc/15/94/76/815159476.db2.gz DLHDWRRFKMIQRT-SECBINFHSA-N 1 1 267.254 3.142 20 30 CGEDMO C=CCC(C)(C)C(=O)N(C)C[C@@H]1CC[N@H+]1CC=C(C)C ZINC001263812271 808007238 /nfs/dbraw/zinc/00/72/38/808007238.db2.gz KRDMNGKZNCHARW-HNNXBMFYSA-N 1 1 278.440 3.088 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H](CF)C1 ZINC001171221534 808010261 /nfs/dbraw/zinc/01/02/61/808010261.db2.gz ORPRUIPAEUFLID-CJNGLKHVSA-N 1 1 260.356 3.171 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@H](CC#N)C1 ZINC001171220495 808010983 /nfs/dbraw/zinc/01/09/83/808010983.db2.gz AOOHPKYFFPQVLM-LSDHHAIUSA-N 1 1 267.376 3.115 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)c2cocc2C)[C@H]1CC ZINC001264060428 808031091 /nfs/dbraw/zinc/03/10/91/808031091.db2.gz AUUSKQLUAZNBPE-JKSUJKDBSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCOc1ccccc1[C@H](C)Nc1cc[nH+]c(CN)c1 ZINC001171374330 808037234 /nfs/dbraw/zinc/03/72/34/808037234.db2.gz PVWAISJMFQSVPF-ZDUSSCGKSA-N 1 1 283.375 3.278 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)c2cscc2C)[C@H]1C ZINC001264136827 808039451 /nfs/dbraw/zinc/03/94/51/808039451.db2.gz KXUZFNUZFPOCKO-HIFRSBDPSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)CC/C=C/c2ccccc2)[C@H]1C ZINC001264160172 808041278 /nfs/dbraw/zinc/04/12/78/808041278.db2.gz GWGDLYFYKXZSCC-DDIQYJBLSA-N 1 1 298.430 3.245 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171492285 808075365 /nfs/dbraw/zinc/07/53/65/808075365.db2.gz BYFAHKKJNPXCMM-DOMZBBRYSA-N 1 1 275.342 3.167 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)CC(C)C)[C@H]1CC ZINC001264622191 808081887 /nfs/dbraw/zinc/08/18/87/808081887.db2.gz BDLIGXQLUNZYGH-YESZJQIVSA-N 1 1 292.467 3.051 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@H]1CCc2c(C)cccc2C1 ZINC001171569978 808099071 /nfs/dbraw/zinc/09/90/71/808099071.db2.gz DOZXMGOQOMMCAO-INIZCTEOSA-N 1 1 256.393 3.478 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCNC(=O)c1c(C)oc(C)c1C ZINC001265009873 808103122 /nfs/dbraw/zinc/10/31/22/808103122.db2.gz IRNLUEJDYQNEKC-UHFFFAOYSA-N 1 1 298.814 3.009 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCNC(=O)c1c(C)oc(C)c1C ZINC001265009873 808103127 /nfs/dbraw/zinc/10/31/27/808103127.db2.gz IRNLUEJDYQNEKC-UHFFFAOYSA-N 1 1 298.814 3.009 20 30 CGEDMO Cc1cccc2c1CC[C@H]([N@H+]1CC[C@](C)(C#N)C1)C2 ZINC001171577887 808103751 /nfs/dbraw/zinc/10/37/51/808103751.db2.gz IIRYSFARBFGJQL-DOTOQJQBSA-N 1 1 254.377 3.088 20 30 CGEDMO C#CC(CC)(CC)NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171616609 808105413 /nfs/dbraw/zinc/10/54/13/808105413.db2.gz CRGGSUNQSGUEKZ-UHFFFAOYSA-N 1 1 264.457 3.419 20 30 CGEDMO C#CC(CC)(CC)[NH2+]C1CC(C)(C)N(C)C(C)(C)C1 ZINC001171616609 808105415 /nfs/dbraw/zinc/10/54/15/808105415.db2.gz CRGGSUNQSGUEKZ-UHFFFAOYSA-N 1 1 264.457 3.419 20 30 CGEDMO C=C(C)C[N@@H+](CCCNC(=O)[C@@H]1CCC(C)(C)C1)C1CC1 ZINC001265175020 808115253 /nfs/dbraw/zinc/11/52/53/808115253.db2.gz RGTNDTYRBZJEJF-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)c2ccsc2)C1 ZINC001265203628 808119609 /nfs/dbraw/zinc/11/96/09/808119609.db2.gz NGMILODITXDWCM-HIFRSBDPSA-N 1 1 292.448 3.297 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)C2(C)CCC2)C1 ZINC001265220637 808121126 /nfs/dbraw/zinc/12/11/26/808121126.db2.gz NWXPUPPPCGRQBP-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)CCC2CCCC2)C1 ZINC001265268623 808123799 /nfs/dbraw/zinc/12/37/99/808123799.db2.gz TYBHIIIQKOPAJC-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001265285473 808125456 /nfs/dbraw/zinc/12/54/56/808125456.db2.gz AORSBKJOXNMXAB-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C/C=C(\C)C(=O)N[C@@H]1CC[N@H+](CCCCCCC)C1 ZINC001265278433 808125497 /nfs/dbraw/zinc/12/54/97/808125497.db2.gz FVLZJBZFDDLZNG-ZXZGFYSFSA-N 1 1 266.429 3.114 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[N@H+](CC2CCC(C)CC2)C1 ZINC001265286649 808126491 /nfs/dbraw/zinc/12/64/91/808126491.db2.gz ZFAWLXIQYYBXJS-OFLPRAFFSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@H+](CC2CCC(C)CC2)C1 ZINC001265286648 808126511 /nfs/dbraw/zinc/12/65/11/808126511.db2.gz ZFAWLXIQYYBXJS-JCYILVPMSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CC2(C)CCCCC2)C1 ZINC001265293365 808126710 /nfs/dbraw/zinc/12/67/10/808126710.db2.gz YRKXBXBXFOUJLJ-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO CCC(C#N)(CC)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171739354 808127842 /nfs/dbraw/zinc/12/78/42/808127842.db2.gz CBMMRMSPXSBDSB-DOTOQJQBSA-N 1 1 285.435 3.321 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CCCCCC(C)C)C1 ZINC001265306382 808128181 /nfs/dbraw/zinc/12/81/81/808128181.db2.gz OKDNIEYHSVSOTA-MRXNPFEDSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C)C2CCC2)C1 ZINC001265390287 808137947 /nfs/dbraw/zinc/13/79/47/808137947.db2.gz BEEOZFMQYZIHBZ-HOTGVXAUSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C)C2CCC2)C1 ZINC001265390289 808138748 /nfs/dbraw/zinc/13/87/48/808138748.db2.gz BEEOZFMQYZIHBZ-JKSUJKDBSA-N 1 1 292.467 3.169 20 30 CGEDMO CCCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CC1 ZINC001265407359 808139948 /nfs/dbraw/zinc/13/99/48/808139948.db2.gz YZPFQAXMFSCWTL-IYBDPMFKSA-N 1 1 292.467 3.432 20 30 CGEDMO CC[C@@]1(Cc2ccccc2)CCC[N@H+]1CC#CCOC ZINC001171875709 808150477 /nfs/dbraw/zinc/15/04/77/808150477.db2.gz LIPZEEVYMPLKLY-SFHVURJKSA-N 1 1 271.404 3.124 20 30 CGEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H](C)CC(C)(C)C ZINC001265654146 808164673 /nfs/dbraw/zinc/16/46/73/808164673.db2.gz OCDJLJSBMUFKQN-CVEARBPZSA-N 1 1 292.467 3.053 20 30 CGEDMO C[C@H](C#N)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171986553 808164864 /nfs/dbraw/zinc/16/48/64/808164864.db2.gz ITJJEIDKVFAABA-NVXWUHKLSA-N 1 1 285.435 3.273 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C1(C)CC=CC1 ZINC001265651645 808165117 /nfs/dbraw/zinc/16/51/17/808165117.db2.gz NBSDOPMPACNKJU-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H](C)C1CC1 ZINC001265658338 808165988 /nfs/dbraw/zinc/16/59/88/808165988.db2.gz WXCLYHSZFUPZEY-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC ZINC001265693237 808169319 /nfs/dbraw/zinc/16/93/19/808169319.db2.gz GOOACDOTQKGXAP-HZPDHXFCSA-N 1 1 278.440 3.208 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CC2CCCC2)C1 ZINC001265697618 808170085 /nfs/dbraw/zinc/17/00/85/808170085.db2.gz VAMMXLPXPWWPEN-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CC2=CCCCC2)C1 ZINC001265700711 808170451 /nfs/dbraw/zinc/17/04/51/808170451.db2.gz UWWMUMQIGGLOCO-RDJZCZTQSA-N 1 1 290.451 3.280 20 30 CGEDMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC1(C#N)CCCCCC1)C2 ZINC001172102249 808173519 /nfs/dbraw/zinc/17/35/19/808173519.db2.gz LIUIRMHGFJKYID-PHZGNYQRSA-N 1 1 275.440 3.208 20 30 CGEDMO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC1(c3ccc(C#N)cc3)CC1)C2 ZINC001172109244 808177767 /nfs/dbraw/zinc/17/77/67/808177767.db2.gz IXAOKJAXJVGTSS-NNZMDNLPSA-N 1 1 295.430 3.152 20 30 CGEDMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC1(c3ccc(C#N)cc3)CC1)C2 ZINC001172109244 808177771 /nfs/dbraw/zinc/17/77/71/808177771.db2.gz IXAOKJAXJVGTSS-NNZMDNLPSA-N 1 1 295.430 3.152 20 30 CGEDMO C=CCCC[N@H+](C)CCCNC(=O)[C@]1(C)CCC[C@@H]1C ZINC001265919788 808193506 /nfs/dbraw/zinc/19/35/06/808193506.db2.gz VMZBPQBVUISKHE-DOTOQJQBSA-N 1 1 280.456 3.217 20 30 CGEDMO C#CCCCC(=O)N1CCC[C@H]([N@H+](C)CCCC(C)C)C1 ZINC001266097142 808211699 /nfs/dbraw/zinc/21/16/99/808211699.db2.gz OUWRYVWOEDCEIA-KRWDZBQOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C/C(C)=C\CC(=O)N1CCC[C@@H]([N@@H+](C)CC(=C)C)C1 ZINC001266107987 808213519 /nfs/dbraw/zinc/21/35/19/808213519.db2.gz NSAJOVBFYUWCET-QOBZYLRHSA-N 1 1 276.424 3.008 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1ccncc1 ZINC001172314366 808224584 /nfs/dbraw/zinc/22/45/84/808224584.db2.gz ITNIWVOATJYRPW-AWEZNQCLSA-N 1 1 265.360 3.016 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)c1ccsc1 ZINC001266199035 808227315 /nfs/dbraw/zinc/22/73/15/808227315.db2.gz SRMFMBWXJIJCMV-HNNXBMFYSA-N 1 1 292.448 3.299 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC2CCC1CC2 ZINC001172320956 808230969 /nfs/dbraw/zinc/23/09/69/808230969.db2.gz XPDAFFBYQJAOPJ-NVPAJSRCSA-N 1 1 254.377 3.364 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](NC(=O)CC/C=C/c2ccccc2)C1 ZINC001266239784 808231716 /nfs/dbraw/zinc/23/17/16/808231716.db2.gz JFTJEDAIQLAPPO-QKIXSCASSA-N 1 1 298.430 3.247 20 30 CGEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)CCCCCC)C1 ZINC001266243333 808232089 /nfs/dbraw/zinc/23/20/89/808232089.db2.gz RVCORJDBUYJJTN-IRXDYDNUSA-N 1 1 292.467 3.197 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)CCCCCC)C1 ZINC001266243333 808232095 /nfs/dbraw/zinc/23/20/95/808232095.db2.gz RVCORJDBUYJJTN-IRXDYDNUSA-N 1 1 292.467 3.197 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)CCCCCC)C1 ZINC001266243332 808232179 /nfs/dbraw/zinc/23/21/79/808232179.db2.gz RVCORJDBUYJJTN-IAGOWNOFSA-N 1 1 292.467 3.197 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)CCCCCC)C1 ZINC001266243332 808232185 /nfs/dbraw/zinc/23/21/85/808232185.db2.gz RVCORJDBUYJJTN-IAGOWNOFSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@]2(C)C=CCC2)C1 ZINC001266336588 808244561 /nfs/dbraw/zinc/24/45/61/808244561.db2.gz RUHPJKVDASSRBZ-SJLPKXTDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+](C)CCNC(=O)c1ccc(C(C)(F)F)cc1 ZINC001266367555 808250255 /nfs/dbraw/zinc/25/02/55/808250255.db2.gz CWBSASXNJFWLKN-UHFFFAOYSA-N 1 1 296.361 3.036 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C ZINC001266400307 808257381 /nfs/dbraw/zinc/25/73/81/808257381.db2.gz HIFCOEHVMZXNBV-HZPDHXFCSA-N 1 1 292.467 3.239 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)c1cc(F)ccc1Cl ZINC001266417706 808261652 /nfs/dbraw/zinc/26/16/52/808261652.db2.gz FFVSAAUNTOZWCE-UHFFFAOYSA-N 1 1 298.789 3.107 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)c2ccoc2)C1 ZINC001266447836 808265848 /nfs/dbraw/zinc/26/58/48/808265848.db2.gz ATYNGWXPZJKSHW-OAHLLOKOSA-N 1 1 290.407 3.030 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCN(C(=O)CCC2CC2)C1 ZINC001266452962 808267217 /nfs/dbraw/zinc/26/72/17/808267217.db2.gz VCOQSBPQUNIRAC-OAHLLOKOSA-N 1 1 298.858 3.100 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCC[N@H+]1[C@@H]1CCc2ccccc21 ZINC001266450590 808267633 /nfs/dbraw/zinc/26/76/33/808267633.db2.gz QTNSGGPWCICITF-FUHWJXTLSA-N 1 1 298.430 3.221 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@H](C[N@H+](C)CC(C)C)C1 ZINC001266460081 808269056 /nfs/dbraw/zinc/26/90/56/808269056.db2.gz WVLNMVJZGYPOTL-MRXNPFEDSA-N 1 1 294.483 3.415 20 30 CGEDMO CCCCCC[N@H+]1CC[C@H](CNC(=O)C#CC(C)(C)C)C1 ZINC001266513662 808278376 /nfs/dbraw/zinc/27/83/76/808278376.db2.gz DUNUUJVFQQKCNT-MRXNPFEDSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC(C)C)C1 ZINC001266656583 808301851 /nfs/dbraw/zinc/30/18/51/808301851.db2.gz YGTGWIIDLRJUBA-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]2C[N@@H+](CC(=C)C)CC[C@@H]21 ZINC001266659473 808302728 /nfs/dbraw/zinc/30/27/28/808302728.db2.gz PYBQWXHEFVAYSI-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCC[N@@H+]1C/C=C/Cl ZINC001266849913 808324130 /nfs/dbraw/zinc/32/41/30/808324130.db2.gz PNWXTFADCLKOLM-KGXGESDWSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCC[N@H+]1C/C=C/Cl ZINC001266849913 808324138 /nfs/dbraw/zinc/32/41/38/808324138.db2.gz PNWXTFADCLKOLM-KGXGESDWSA-N 1 1 298.858 3.312 20 30 CGEDMO C[C@H](CCCC#N)[NH2+][C@@H](CCN(C)C)c1ccccc1 ZINC001172479703 808343412 /nfs/dbraw/zinc/34/34/12/808343412.db2.gz KAHVNPNYQRGOSM-WBVHZDCISA-N 1 1 273.424 3.351 20 30 CGEDMO CCOC(=O)C[N@H+](Cc1ccccc1)[C@@H](C)CCCC#N ZINC001172491719 808351708 /nfs/dbraw/zinc/35/17/08/808351708.db2.gz GWBRDPQSCVVDMI-HNNXBMFYSA-N 1 1 288.391 3.134 20 30 CGEDMO CCOC(=O)C[N@@H+](Cc1ccccc1)[C@@H](C)CCCC#N ZINC001172491719 808351716 /nfs/dbraw/zinc/35/17/16/808351716.db2.gz GWBRDPQSCVVDMI-HNNXBMFYSA-N 1 1 288.391 3.134 20 30 CGEDMO C[C@@H](CCCC#N)[N@@H+](C)CCC(=O)c1cccs1 ZINC001172497573 808353453 /nfs/dbraw/zinc/35/34/53/808353453.db2.gz DACFQEKEAMQCGG-LBPRGKRZSA-N 1 1 264.394 3.335 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC001172499653 808354727 /nfs/dbraw/zinc/35/47/27/808354727.db2.gz FRLMXGHEEKHYGM-NJAFHUGGSA-N 1 1 283.419 3.027 20 30 CGEDMO C[C@H](CCCC#N)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC001172499653 808354731 /nfs/dbraw/zinc/35/47/31/808354731.db2.gz FRLMXGHEEKHYGM-NJAFHUGGSA-N 1 1 283.419 3.027 20 30 CGEDMO C[C@H](CCCC#N)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC001172499653 808354736 /nfs/dbraw/zinc/35/47/36/808354736.db2.gz FRLMXGHEEKHYGM-NJAFHUGGSA-N 1 1 283.419 3.027 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001172498243 808356288 /nfs/dbraw/zinc/35/62/88/808356288.db2.gz KJOZJSSYZZVZDQ-SJORKVTESA-N 1 1 285.435 3.275 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](CC)SC)C1 ZINC001267101990 808358166 /nfs/dbraw/zinc/35/81/66/808358166.db2.gz AXNBEESNBXQQOT-HUUCEWRRSA-N 1 1 298.496 3.017 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@H]([N@H+](C)CC[C@@H](C)F)C1 ZINC001267111319 808359979 /nfs/dbraw/zinc/35/99/79/808359979.db2.gz HZOCZOXEPBYADM-CABCVRRESA-N 1 1 298.446 3.260 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)CC[C@@H](C)F)C1 ZINC001267111321 808360271 /nfs/dbraw/zinc/36/02/71/808360271.db2.gz HZOCZOXEPBYADM-HUUCEWRRSA-N 1 1 298.446 3.260 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)C[C@@H](C)CC)C1 ZINC001267106827 808360785 /nfs/dbraw/zinc/36/07/85/808360785.db2.gz XLIWVBWPBFKOJC-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCC(=O)[C@@H](C)C12CCCC2 ZINC001172506490 808362459 /nfs/dbraw/zinc/36/24/59/808362459.db2.gz UVDVWGRXYVTPJT-ZIAGYGMSSA-N 1 1 262.397 3.292 20 30 CGEDMO COC(=O)CC[N@@H+](Cc1ccccc1)[C@@H](C)CCCC#N ZINC001172507406 808364818 /nfs/dbraw/zinc/36/48/18/808364818.db2.gz TVBLDOFLYGQAGJ-HNNXBMFYSA-N 1 1 288.391 3.134 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)c1ccoc1Cl)C(C)C ZINC001267248064 808394968 /nfs/dbraw/zinc/39/49/68/808394968.db2.gz LJDOXXUNDVVCJO-UHFFFAOYSA-N 1 1 298.814 3.339 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)[C@H]1CCCC[C@H]1C1CC1 ZINC001267246847 808395690 /nfs/dbraw/zinc/39/56/90/808395690.db2.gz PSRIHGWMGVZRDU-IRXDYDNUSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)C1[C@H]2CCCCCC[C@H]12 ZINC001267251240 808395707 /nfs/dbraw/zinc/39/57/07/808395707.db2.gz ZIZGADQLIJADRG-HOTGVXAUSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@H+](CC)CCNC(=O)[C@@H]1CCCC[C@H]1CC ZINC001267253491 808397960 /nfs/dbraw/zinc/39/79/60/808397960.db2.gz MWFOVKOJOYOFNE-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)C(C)C)C1 ZINC001267295605 808406769 /nfs/dbraw/zinc/40/67/69/808406769.db2.gz YTWJUAUZRRIDBH-HNNXBMFYSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)CC[N@H+](CCCNC(=O)[C@]12C[C@H]1CCC2)C(C)C ZINC001267293934 808407403 /nfs/dbraw/zinc/40/74/03/808407403.db2.gz DERYEBKPDYKEHQ-SJLPKXTDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CC[C@H](CNC(=O)CCCC2CCCCC2)C1 ZINC001267305389 808408773 /nfs/dbraw/zinc/40/87/73/808408773.db2.gz KVQXBWKIZQDIPJ-QGZVFWFLSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)C2(F)CCCCC2)C1 ZINC001267307904 808410111 /nfs/dbraw/zinc/41/01/11/808410111.db2.gz YEIPSCHOUOPRPT-HNNXBMFYSA-N 1 1 296.430 3.063 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)C1(C)CCC(C)CC1 ZINC001267320333 808414160 /nfs/dbraw/zinc/41/41/60/808414160.db2.gz GNUNSHDLZCAWPE-UHFFFAOYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCC[N@H+](CCNC(=O)[C@@H]1CCCC[C@@H]1C)C1CC1 ZINC001267331368 808417330 /nfs/dbraw/zinc/41/73/30/808417330.db2.gz FUDONPOGKVJWBZ-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+](CCCNC(=O)c1coc(C)c1)C(C)C ZINC001267499559 808433407 /nfs/dbraw/zinc/43/34/07/808433407.db2.gz ANWYEXAFYHWWFG-UHFFFAOYSA-N 1 1 292.423 3.385 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)C2CC=CC2)C1 ZINC001267513516 808436155 /nfs/dbraw/zinc/43/61/55/808436155.db2.gz KQKOLNTZTDQSSH-HZPDHXFCSA-N 1 1 290.451 3.136 20 30 CGEDMO C#CCC[N@H+](CCCNC(=O)[C@H]1CC[C@H](C)CC1)C(C)C ZINC001267511711 808436231 /nfs/dbraw/zinc/43/62/31/808436231.db2.gz UEEJHNMWQSJDCK-QAQDUYKDSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)[C@H]1C[C@@]1(C)C(C)C)C(C)C ZINC001267512033 808436325 /nfs/dbraw/zinc/43/63/25/808436325.db2.gz YUSJMFWJTAKWMZ-AEFFLSMTSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CC(C)(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001267530262 808440621 /nfs/dbraw/zinc/44/06/21/808440621.db2.gz ORULUMXHGHDBIW-IYBDPMFKSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H](CCC)C(C)C)C1 ZINC001267575056 808449066 /nfs/dbraw/zinc/44/90/66/808449066.db2.gz AZNRUDMZPQHWKV-IAGOWNOFSA-N 1 1 294.483 3.463 20 30 CGEDMO C#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)CCCCCC)C1 ZINC001267591913 808452858 /nfs/dbraw/zinc/45/28/58/808452858.db2.gz LFUGFEDKRZKIIQ-SJORKVTESA-N 1 1 292.467 3.006 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[C@H](C[N@@H+](C)CC2CCC2)C1 ZINC001267589618 808452903 /nfs/dbraw/zinc/45/29/03/808452903.db2.gz OYDCZBCODKJUAW-NVXWUHKLSA-N 1 1 292.467 3.169 20 30 CGEDMO C#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)CCCCCC)C1 ZINC001267591911 808452970 /nfs/dbraw/zinc/45/29/70/808452970.db2.gz LFUGFEDKRZKIIQ-IAGOWNOFSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC[C@@H](C[N@H+](C)C[C@@H](C)CC)C2)C1 ZINC001267587764 808453120 /nfs/dbraw/zinc/45/31/20/808453120.db2.gz CMWVECYAQTVFOZ-HOCLYGCPSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](CCNC(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001267594638 808455235 /nfs/dbraw/zinc/45/52/35/808455235.db2.gz LCILZSVXCYLAJS-CVEARBPZSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@H+](C)CC1CCN(C(=O)[C@@H](C)C2CCC2)CC1 ZINC001267601955 808456502 /nfs/dbraw/zinc/45/65/02/808456502.db2.gz WXRYFMOZUUTARG-HNNXBMFYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@H](C)[C@@H](C)CC)CC1 ZINC001267602806 808457095 /nfs/dbraw/zinc/45/70/95/808457095.db2.gz LODRVVVUQMADFE-JKSUJKDBSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C2(CCC)CC2)C1 ZINC001267617951 808458905 /nfs/dbraw/zinc/45/89/05/808458905.db2.gz VONNBLIVZBYCCT-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001267619980 808459228 /nfs/dbraw/zinc/45/92/28/808459228.db2.gz NASYUWQJUZHMIA-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@](C)(F)CCCC)C1 ZINC001267627724 808460032 /nfs/dbraw/zinc/46/00/32/808460032.db2.gz KJQJLPXNZYQLTM-GOEBONIOSA-N 1 1 284.419 3.062 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CCC[N@H+](CC2CC(C)C2)C1 ZINC001267631530 808462698 /nfs/dbraw/zinc/46/26/98/808462698.db2.gz IFERTZZMQJLWLZ-GPANFISMSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)CCC)C1 ZINC001267636937 808463030 /nfs/dbraw/zinc/46/30/30/808463030.db2.gz BUIFRDZNKRVOMF-CVEARBPZSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(CC)CC ZINC001267714113 808473896 /nfs/dbraw/zinc/47/38/96/808473896.db2.gz WRUIRWDFHRSFQX-HOTGVXAUSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)=C1CCC1 ZINC001267706374 808473948 /nfs/dbraw/zinc/47/39/48/808473948.db2.gz LXKRUDLEOOOTDN-JQFCIGGWSA-N 1 1 288.435 3.127 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001267729219 808479195 /nfs/dbraw/zinc/47/91/95/808479195.db2.gz PLTAQDBFVDFLDV-HOCLYGCPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](C/C=C\c2ccccc2)C1 ZINC001267743285 808480877 /nfs/dbraw/zinc/48/08/77/808480877.db2.gz PDMPVFYVVZTCFW-OTIVFRFGSA-N 1 1 298.430 3.247 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001267771703 808487838 /nfs/dbraw/zinc/48/78/38/808487838.db2.gz LVIOTSXETHXBGQ-BQFCYCMXSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)/C(C)=C/CC)C1 ZINC001268159186 808551669 /nfs/dbraw/zinc/55/16/69/808551669.db2.gz JQRYPAUKZHRGEF-MMJTVPDGSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001268238010 808566722 /nfs/dbraw/zinc/56/67/22/808566722.db2.gz YZZUFTJVBBROOD-LSDHHAIUSA-N 1 1 280.456 3.025 20 30 CGEDMO CC[C@H]1CC[C@@H]([NH+]2CC(Oc3ccccc3C#N)C2)C1 ZINC001173281570 808582209 /nfs/dbraw/zinc/58/22/09/808582209.db2.gz ACBCTQIHWYSFMO-DZGCQCFKSA-N 1 1 270.376 3.200 20 30 CGEDMO C=CCOC1CCC([N@@H+](CC)CC(=O)OC(C)(C)C)CC1 ZINC001173326391 808612701 /nfs/dbraw/zinc/61/27/01/808612701.db2.gz GIMUUWSCXDXUEM-UHFFFAOYSA-N 1 1 297.439 3.164 20 30 CGEDMO CCC[N@@H+](C1CCOCC1)C1CCC(CC#N)CC1 ZINC001173336578 808617142 /nfs/dbraw/zinc/61/71/42/808617142.db2.gz FDGYKWHJGSRGBW-UHFFFAOYSA-N 1 1 264.413 3.350 20 30 CGEDMO CCCCC[NH+]1CCN(C2CCC(CC#N)CC2)CC1 ZINC001173338247 808618806 /nfs/dbraw/zinc/61/88/06/808618806.db2.gz BWFKHCHCFDSTCB-UHFFFAOYSA-N 1 1 277.456 3.267 20 30 CGEDMO Cc1cnc2c(c1)C[N@@H+](C1CCC(CC#N)CC1)CC2 ZINC001173341163 808619628 /nfs/dbraw/zinc/61/96/28/808619628.db2.gz QJUOFGFNHNGPKH-UHFFFAOYSA-N 1 1 269.392 3.221 20 30 CGEDMO CCCCOC(=O)[C@H]1CC[N@H+](C2CCC(CC#N)CC2)C1 ZINC001173339248 808620329 /nfs/dbraw/zinc/62/03/29/808620329.db2.gz DSZSDQZGDYDRJT-PCKAHOCUSA-N 1 1 292.423 3.124 20 30 CGEDMO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1C1CCC(CC#N)CC1 ZINC001173339004 808620482 /nfs/dbraw/zinc/62/04/82/808620482.db2.gz KARKIUBYOJAEDI-NRXISQOPSA-N 1 1 292.423 3.265 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H](C)C[N@H+](C)CCC(C)C ZINC001268748476 808621377 /nfs/dbraw/zinc/62/13/77/808621377.db2.gz GIMNXUMLCUOOIZ-CQSZACIVSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)c1cccc(C(C)C)c1 ZINC001268754295 808623900 /nfs/dbraw/zinc/62/39/00/808623900.db2.gz YLYPIFZBMUSNQV-OAHLLOKOSA-N 1 1 288.435 3.436 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)C1(C)CCC(C)CC1 ZINC001268758037 808626050 /nfs/dbraw/zinc/62/60/50/808626050.db2.gz ATYOXBQMWVAPMV-ISXOHVOVSA-N 1 1 280.456 3.215 20 30 CGEDMO CC[N@H+]1CC[C@H](N(CCC#N)Cc2ccc(Cl)cc2)C1 ZINC001173367041 808631072 /nfs/dbraw/zinc/63/10/72/808631072.db2.gz CZHXARCWDDJUEK-INIZCTEOSA-N 1 1 291.826 3.150 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[C@H](C)CC1 ZINC001268978447 808640503 /nfs/dbraw/zinc/64/05/03/808640503.db2.gz AOTJRVFBXIFALD-QAETUUGQSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)C/C=C(\C)C=C)C1 ZINC001269056567 808644531 /nfs/dbraw/zinc/64/45/31/808644531.db2.gz GXOLAFNIJMFQPU-MMJTVPDGSA-N 1 1 276.424 3.054 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)c1oc(C)cc1C ZINC001269215762 808656438 /nfs/dbraw/zinc/65/64/38/808656438.db2.gz QZWJEWMBZIYBEX-UKRRQHHQSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)/C=C\C(C)(C)C)C1 ZINC001269222373 808657721 /nfs/dbraw/zinc/65/77/21/808657721.db2.gz WYMYGSNKSDQKBN-PLLXSZFYSA-N 1 1 292.467 3.476 20 30 CGEDMO C=CCCC(=O)N(C)[C@@H]1CC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC001269221538 808658820 /nfs/dbraw/zinc/65/88/20/808658820.db2.gz MIEDPJPQQWQSDS-AEFFLSMTSA-N 1 1 298.430 3.173 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H]1CC[N@H+]1Cc1cccc(C)c1 ZINC001269241989 808659587 /nfs/dbraw/zinc/65/95/87/808659587.db2.gz ZIYNWBRFTJVWEN-QGZVFWFLSA-N 1 1 286.419 3.042 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)CCCC)C1 ZINC001269235459 808660236 /nfs/dbraw/zinc/66/02/36/808660236.db2.gz XQWLYNGCRJPFOE-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C2(C)CCCC2)C1 ZINC001269262238 808661945 /nfs/dbraw/zinc/66/19/45/808661945.db2.gz FXHQMHXMWDBJIN-HZPDHXFCSA-N 1 1 292.467 3.454 20 30 CGEDMO CC#CCCCC(=O)NC[C@H]1CC[N@H+]1C[C@@H](C)CC(C)C ZINC001269278365 808663720 /nfs/dbraw/zinc/66/37/20/808663720.db2.gz HTMXMZAJYMKHEY-DLBZAZTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@H]2CC[N@@H+]2CC/C=C\CCC)C1 ZINC001269290496 808666337 /nfs/dbraw/zinc/66/63/37/808666337.db2.gz ATRZABNJMGBQEQ-MWWKQMNYSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)C/C=C\c1ccc(C)cc1 ZINC001269356069 808672904 /nfs/dbraw/zinc/67/29/04/808672904.db2.gz MJCPJYDAPSAKIB-XDXAGZTOSA-N 1 1 298.430 3.165 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)/C=C(\C)CC)C1 ZINC001269555642 808687966 /nfs/dbraw/zinc/68/79/66/808687966.db2.gz GSODUWODJUVCIR-LFUXOTAPSA-N 1 1 290.451 3.232 20 30 CGEDMO CC#CCCCC(=O)N(C)C1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC001269839176 808706000 /nfs/dbraw/zinc/70/60/00/808706000.db2.gz LENJYZYIRNOFJH-INIZCTEOSA-N 1 1 298.430 3.084 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](C)SC)C1 ZINC001270548741 808735260 /nfs/dbraw/zinc/73/52/60/808735260.db2.gz LRRRNNWBPRRKTO-GOEBONIOSA-N 1 1 298.496 3.065 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@](C)(NC(=O)CC(C)(C)C=C)C1 ZINC001270589608 808738786 /nfs/dbraw/zinc/73/87/86/808738786.db2.gz JEJUDNKTVNVNAL-KRWDZBQOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)C[C@@H](C)C2CC2)C1 ZINC001271017070 808758620 /nfs/dbraw/zinc/75/86/20/808758620.db2.gz KZSZYBUNDRVVQX-QAPCUYQASA-N 1 1 292.467 3.217 20 30 CGEDMO CCCCCCCC[C@H]1C[C@@H]1C(=O)N1CC2(CC[N@@H+]2C)C1 ZINC001271410931 808769502 /nfs/dbraw/zinc/76/95/02/808769502.db2.gz JVIVZMHIHMTOPR-HOTGVXAUSA-N 1 1 292.467 3.290 20 30 CGEDMO CCCCCCCC[C@H]1C[C@@H]1C(=O)N1CC2(CC[N@H+]2C)C1 ZINC001271410931 808769508 /nfs/dbraw/zinc/76/95/08/808769508.db2.gz JVIVZMHIHMTOPR-HOTGVXAUSA-N 1 1 292.467 3.290 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)CC ZINC001272005944 808791955 /nfs/dbraw/zinc/79/19/55/808791955.db2.gz PRMAAKWAQVATPT-BZUAXINKSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)C1C(C)(C)C1(C)C ZINC001271984319 808792382 /nfs/dbraw/zinc/79/23/82/808792382.db2.gz FNWNUVGAHIFICA-AWEZNQCLSA-N 1 1 294.483 3.414 20 30 CGEDMO C#CCCCCCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001272218702 808800262 /nfs/dbraw/zinc/80/02/62/808800262.db2.gz FOOBTWBOFRCTQF-CALCHBBNSA-N 1 1 290.451 3.045 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)C1(CC)CCCCC1 ZINC001272178080 808800809 /nfs/dbraw/zinc/80/08/09/808800809.db2.gz ATNBSLGRYBFFDB-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)CC(C)=C(C)C)CC[C@@H]21 ZINC001272215673 808801132 /nfs/dbraw/zinc/80/11/32/808801132.db2.gz JEBQZMQISNFPAK-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCN1c2ccccc2[C@]2(CC[N@H+](CCCCC)C2)C1=O ZINC001272470903 808810957 /nfs/dbraw/zinc/81/09/57/808810957.db2.gz NNKRQLPNBLLJAM-LJQANCHMSA-N 1 1 298.430 3.353 20 30 CGEDMO C=C(C)CN1CC[C@]2(CC[N@H+](CCCCCC)C2)C1=O ZINC001272477535 808811935 /nfs/dbraw/zinc/81/19/35/808811935.db2.gz VLJHCFSDUVJJNJ-KRWDZBQOSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCN1CC[C@@]2(CC[N@H+](CCCCCCCC)C2)C1=O ZINC001272479169 808813693 /nfs/dbraw/zinc/81/36/93/808813693.db2.gz YUDJFPWGEHPUIT-GOSISDBHSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(C)ccc1C ZINC001272637548 808818285 /nfs/dbraw/zinc/81/82/85/808818285.db2.gz ATZYFUNYLRGJEI-QZTJIDSGSA-N 1 1 298.430 3.055 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@]2(CCN(CCCC)C2=O)C1 ZINC001272699604 808822194 /nfs/dbraw/zinc/82/21/94/808822194.db2.gz LGNLUPTXTUKBFP-SFHVURJKSA-N 1 1 292.467 3.457 20 30 CGEDMO COc1ccc(Nc2cc[nH+]c3ccccc23)c(C#N)c1 ZINC001174038583 808836811 /nfs/dbraw/zinc/83/68/11/808836811.db2.gz PHFWKUISNVZASL-UHFFFAOYSA-N 1 1 275.311 3.281 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H](CC)CCCC)CC1 ZINC001273394094 808842010 /nfs/dbraw/zinc/84/20/10/808842010.db2.gz WRAHIMRBTIGTNJ-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C/C(C)=C/CC(=O)N[C@@H]1CCC[N@@H+](CC(=C)Cl)CC1 ZINC001273436862 808844565 /nfs/dbraw/zinc/84/45/65/808844565.db2.gz DONNJTGRDNYZGG-MYWXAZLQSA-N 1 1 296.842 3.232 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@@]2(CCN(CC=C(C)C)C2=O)C1 ZINC001273494922 808848798 /nfs/dbraw/zinc/84/87/98/808848798.db2.gz JHYTYMYVBXOYDY-GOSISDBHSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)C(C)(C)C(=C)C ZINC001273540750 808852143 /nfs/dbraw/zinc/85/21/43/808852143.db2.gz AXFIHAGEKHFSJJ-UHFFFAOYSA-N 1 1 280.456 3.335 20 30 CGEDMO C=CCCC[N@H+](C)CCCN(C)C(=O)[C@H](C)C(C)(C)C ZINC001273529990 808852758 /nfs/dbraw/zinc/85/27/58/808852758.db2.gz MCNGRASFEXNOIV-HNNXBMFYSA-N 1 1 282.472 3.415 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC)C2 ZINC001273823375 808862103 /nfs/dbraw/zinc/86/21/03/808862103.db2.gz BNUPNUWAAVDVME-GOSISDBHSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)C3(CC)CCC3)cc2C1 ZINC001274036200 808867515 /nfs/dbraw/zinc/86/75/15/808867515.db2.gz LGEDZKBTOFMEDS-UHFFFAOYSA-N 1 1 298.430 3.385 20 30 CGEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)C3(CC)CCC3)cc2C1 ZINC001274036200 808867522 /nfs/dbraw/zinc/86/75/22/808867522.db2.gz LGEDZKBTOFMEDS-UHFFFAOYSA-N 1 1 298.430 3.385 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@@H+](C/C=C\Cl)[C@@H](C)C1 ZINC001274626412 808880315 /nfs/dbraw/zinc/88/03/15/808880315.db2.gz YUFYJTMJKVAYIW-CUXBFQRZSA-N 1 1 298.858 3.310 20 30 CGEDMO C=CCCCCN1CC2(C1)CC[N@H+](C1CCCC1)C2 ZINC001274975175 808896771 /nfs/dbraw/zinc/89/67/71/808896771.db2.gz XKWACZJFEQENBK-UHFFFAOYSA-N 1 1 262.441 3.293 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)c1ccco1 ZINC001275081663 808903996 /nfs/dbraw/zinc/90/39/96/808903996.db2.gz YOROVEOOWYOQQH-HUUCEWRRSA-N 1 1 290.407 3.171 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C1(C)CC=CC1 ZINC001275142737 808915934 /nfs/dbraw/zinc/91/59/34/808915934.db2.gz CYCUHEJIQXQQNH-INIZCTEOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]([C@H]2CC[N@H+](C(C)C)C2)C1 ZINC001275183757 808920303 /nfs/dbraw/zinc/92/03/03/808920303.db2.gz IFAFJJMIIYOBQO-IRXDYDNUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@H](C)NC(=O)/C=C/C(C)(C)C ZINC001275521077 808944459 /nfs/dbraw/zinc/94/44/59/808944459.db2.gz MHMWESKIWRDZIM-NOQIOLJMSA-N 1 1 280.456 3.380 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001275565834 808948457 /nfs/dbraw/zinc/94/84/57/808948457.db2.gz JQEYDMRLWNIWEE-JKSUJKDBSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC1(C)C ZINC001275622349 808952625 /nfs/dbraw/zinc/95/26/25/808952625.db2.gz OQHSTFDNDIBHJR-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)C[C@@H](C)CC(C)(C)C ZINC001275657106 808955117 /nfs/dbraw/zinc/95/51/17/808955117.db2.gz ATWUBVBGRAMLEC-HUUCEWRRSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)C1CCCC1 ZINC001275697642 808958688 /nfs/dbraw/zinc/95/86/88/808958688.db2.gz LPXPHXUUBDYLNE-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1cccc(F)c1 ZINC001275759138 808964295 /nfs/dbraw/zinc/96/42/95/808964295.db2.gz RHCFLFMXXRBCBY-KGLIPLIRSA-N 1 1 292.398 3.231 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)C1CCCCCCC1 ZINC001275875184 808973186 /nfs/dbraw/zinc/97/31/86/808973186.db2.gz ZKKJXEQUIYAPDR-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[N@H+](C)C[C@H](C)CC ZINC001275897933 808973801 /nfs/dbraw/zinc/97/38/01/808973801.db2.gz XTDKGVZQJOQNLZ-ZIAGYGMSSA-N 1 1 268.445 3.071 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@@H](F)c1ccccc1 ZINC001275947922 808979465 /nfs/dbraw/zinc/97/94/65/808979465.db2.gz YVHGOEYYPAHYTR-ZBFHGGJFSA-N 1 1 292.398 3.100 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001276012812 808984493 /nfs/dbraw/zinc/98/44/93/808984493.db2.gz UBCGNWBAWQCFOA-RWBZWWBESA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CCC)C(C)(C)C1 ZINC001276554806 809015689 /nfs/dbraw/zinc/01/56/89/809015689.db2.gz GGAZBQAPVZJUSC-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)CCCC)C(C)(C)C1 ZINC001276560479 809016318 /nfs/dbraw/zinc/01/63/18/809016318.db2.gz ALBXJPRUFVYLDS-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CCC(=C)C)CC1(C)C ZINC001276606852 809020546 /nfs/dbraw/zinc/02/05/46/809020546.db2.gz BQVFLYCGGYJRHV-QAPCUYQASA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1C[N@H+](C/C=C/Cl)CC1(C)C ZINC001276609414 809020705 /nfs/dbraw/zinc/02/07/05/809020705.db2.gz WODSZLFHPBLQCH-XOVSCCBYSA-N 1 1 298.858 3.168 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1C[N@@H+](C/C=C/Cl)CC1(C)C ZINC001276609414 809020713 /nfs/dbraw/zinc/02/07/13/809020713.db2.gz WODSZLFHPBLQCH-XOVSCCBYSA-N 1 1 298.858 3.168 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C/C=C\Cl)CC1(C)C ZINC001276602369 809021329 /nfs/dbraw/zinc/02/13/29/809021329.db2.gz ZHOALFHDSNFACB-MEJMFZKBSA-N 1 1 298.858 3.168 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)CC1(C)C ZINC001276602369 809021337 /nfs/dbraw/zinc/02/13/37/809021337.db2.gz ZHOALFHDSNFACB-MEJMFZKBSA-N 1 1 298.858 3.168 20 30 CGEDMO C=CCCC(=O)N1CC2(C1)CCC[N@H+](CCCCC)C2 ZINC001276855716 809037941 /nfs/dbraw/zinc/03/79/41/809037941.db2.gz QXZFVTLTVJAQEP-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCCCC(=O)N1CC2(C1)CCC[N@H+](C/C=C\Cl)C2 ZINC001276879300 809040680 /nfs/dbraw/zinc/04/06/80/809040680.db2.gz YVFBYBVRMWPHCT-TWGQIWQCSA-N 1 1 296.842 3.020 20 30 CGEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)C[C@H](C)CC(C)C)C2)C1 ZINC001276886463 809042147 /nfs/dbraw/zinc/04/21/47/809042147.db2.gz KJIGMBHICZXCMK-MRXNPFEDSA-N 1 1 292.467 3.169 20 30 CGEDMO N#Cc1ccc(F)c(N2CC[C@H]3C[N@H+](C4CCCC4)C[C@H]32)c1 ZINC001277023417 809053653 /nfs/dbraw/zinc/05/36/53/809053653.db2.gz JFBRUXBYKYFQKG-KBXCAEBGSA-N 1 1 299.393 3.150 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@]2(CCC[C@@H]2C(=O)N(C)C)C1 ZINC001277153172 809060056 /nfs/dbraw/zinc/06/00/56/809060056.db2.gz XLWPSXWPPTWXBN-SJLPKXTDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CCC ZINC001277340256 809069801 /nfs/dbraw/zinc/06/98/01/809069801.db2.gz OUPHYGWSUZMSPE-BBWFWOEESA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)CCC(=C)C)CC1 ZINC001277404198 809073274 /nfs/dbraw/zinc/07/32/74/809073274.db2.gz SQAYAOCFLADVPC-UHFFFAOYSA-N 1 1 278.440 3.232 20 30 CGEDMO CCCCCCC[C@H](C)NC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001277422208 809074389 /nfs/dbraw/zinc/07/43/89/809074389.db2.gz GZQJSLKUGXHJPU-HRCADAONSA-N 1 1 295.471 3.081 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC([N@@H+](C)CC(=C)C)CC1 ZINC001277429400 809074438 /nfs/dbraw/zinc/07/44/38/809074438.db2.gz NMDOBGKPGHSARV-UHFFFAOYSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)CC)C2)C1 ZINC001277531102 809079488 /nfs/dbraw/zinc/07/94/88/809079488.db2.gz KZWOQRRQCDMDTL-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(=C)C ZINC001278320192 809125020 /nfs/dbraw/zinc/12/50/20/809125020.db2.gz BPIMHQYABWJNFA-SJORKVTESA-N 1 1 290.451 3.374 20 30 CGEDMO C#CCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCCC ZINC001278309821 809125287 /nfs/dbraw/zinc/12/52/87/809125287.db2.gz KLJBOVOZCPJQJC-SJORKVTESA-N 1 1 290.451 3.045 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@](C)(NC(=O)c2c(C)coc2C)C1 ZINC001278389673 809129693 /nfs/dbraw/zinc/12/96/93/809129693.db2.gz WVNBULAVJLSGKF-KRWDZBQOSA-N 1 1 290.407 3.057 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)CCC(C)C)CCC[C@H]12 ZINC001278431958 809133354 /nfs/dbraw/zinc/13/33/54/809133354.db2.gz SVGQSDFUXJYUOF-RDJZCZTQSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H](CC)CC(C)C)C1 ZINC001278437198 809134399 /nfs/dbraw/zinc/13/43/99/809134399.db2.gz AANXWKOMEOSFCN-NVXWUHKLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccsc2)[C@H]1C ZINC001278492353 809137384 /nfs/dbraw/zinc/13/73/84/809137384.db2.gz DFMFTCDYVKYLIN-UKRRQHHQSA-N 1 1 292.448 3.297 20 30 CGEDMO C#CCCCC(=O)N[C@H]1CCC[N@H+](CCCC(C)C)[C@H]1C ZINC001278506425 809139007 /nfs/dbraw/zinc/13/90/07/809139007.db2.gz QMMOCQJVUACBIV-IRXDYDNUSA-N 1 1 292.467 3.195 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CCCCCCCC)[C@@H]1C ZINC001278526108 809140378 /nfs/dbraw/zinc/14/03/78/809140378.db2.gz FZRWFDJJJKHBFJ-IRXDYDNUSA-N 1 1 292.467 3.339 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)/C=C(/C)CC)C1 ZINC001278659452 809149024 /nfs/dbraw/zinc/14/90/24/809149024.db2.gz UYURHFVGZLHCBS-XBNGYDHASA-N 1 1 278.440 3.137 20 30 CGEDMO CC#CC[N@@H+](C)CCN(C(=O)[C@H]1CCC[C@H](C)C1)C(C)C ZINC001278917787 809155845 /nfs/dbraw/zinc/15/58/45/809155845.db2.gz IVOIYCFXNUCNFF-IRXDYDNUSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)CC ZINC001279575921 809174841 /nfs/dbraw/zinc/17/48/41/809174841.db2.gz JQGPTTBAGZOKJN-JKSUJKDBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](CCCOc2ccc3c(c2)OCO3)C1 ZINC001174889876 809192278 /nfs/dbraw/zinc/19/22/78/809192278.db2.gz AFVAMPGBFGQBJW-CQSZACIVSA-N 1 1 289.375 3.082 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)/C=C(/C)C2CC2)CC1 ZINC001280709625 809195735 /nfs/dbraw/zinc/19/57/35/809195735.db2.gz OSLXYMDXBRZSHB-WQTVUKCASA-N 1 1 296.842 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2)C[C@@H]1C ZINC001281644619 809214955 /nfs/dbraw/zinc/21/49/55/809214955.db2.gz MUUHLZXRFMUYLH-DOTOQJQBSA-N 1 1 286.419 3.236 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[N@H+](CC[C@@H](C)F)CC1(C)C ZINC001281556823 809215408 /nfs/dbraw/zinc/21/54/08/809215408.db2.gz MPUVVTXQHZWNEX-HUUCEWRRSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)CC(C)C)C(C)(C)C1 ZINC001281572661 809215573 /nfs/dbraw/zinc/21/55/73/809215573.db2.gz ULSWNXUPLCMZOB-HZPDHXFCSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)C=C)C[C@H]1C ZINC001281664832 809216272 /nfs/dbraw/zinc/21/62/72/809216272.db2.gz NUDXSNSRWCYDHQ-HUUCEWRRSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@@H+](CC(=C)C)[C@@H](C)C2)CCC1 ZINC001281673825 809218306 /nfs/dbraw/zinc/21/83/06/809218306.db2.gz FZIPOSJJWTXZKC-HOTGVXAUSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)CC[N@H+](CC)CC1CCN(C(=O)/C(C)=C/C)CC1 ZINC001281830525 809221420 /nfs/dbraw/zinc/22/14/20/809221420.db2.gz JHIBAUNWZKGOLZ-OMCISZLKSA-N 1 1 292.467 3.479 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)/C=C(\C)C1CC1 ZINC001281918015 809224161 /nfs/dbraw/zinc/22/41/61/809224161.db2.gz YPCRIEBAZBZOGS-SAAWKEMMSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)/C=C(\C)C1CC1 ZINC001281918015 809224164 /nfs/dbraw/zinc/22/41/64/809224164.db2.gz YPCRIEBAZBZOGS-SAAWKEMMSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)CCC1CC1 ZINC001281928524 809224198 /nfs/dbraw/zinc/22/41/98/809224198.db2.gz LINJXABFESBFIA-WBVHZDCISA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)CC ZINC001282449889 809248691 /nfs/dbraw/zinc/24/86/91/809248691.db2.gz PKLFBZCSZKVXGR-KBPBESRZSA-N 1 1 268.445 3.214 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)Cc1ccsc1C ZINC001282463704 809249957 /nfs/dbraw/zinc/24/99/57/809249957.db2.gz BNWVXGQVIGJNPM-ZDUSSCGKSA-N 1 1 294.464 3.002 20 30 CGEDMO C#CCC[N@H+](C)[C@@H](C)CNC(=O)c1cccc(C2CCC2)c1 ZINC001282479036 809250131 /nfs/dbraw/zinc/25/01/31/809250131.db2.gz XCFYLJXYYPXQGV-HNNXBMFYSA-N 1 1 298.430 3.028 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)/C(C)=C/C)C[C@@]2(C)C1 ZINC001282984739 809267461 /nfs/dbraw/zinc/26/74/61/809267461.db2.gz FVSCCJQVLZILBA-CJDLECJZSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)C=C(CC)CC)CC1 ZINC001283301334 809276079 /nfs/dbraw/zinc/27/60/79/809276079.db2.gz BXYIMZJOFJHORU-UHFFFAOYSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)/C=C/C(C)(C)C)CCC[C@H]12 ZINC001284046643 809293909 /nfs/dbraw/zinc/29/39/09/809293909.db2.gz UURXIMLRKNFTGL-QGLFLDNSSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@]12CCC[C@H]1[N@@H+](CC(=C)C)CC2 ZINC001284066493 809295085 /nfs/dbraw/zinc/29/50/85/809295085.db2.gz HAIGBOHEPYZVHB-NUJGCVRESA-N 1 1 290.451 3.278 20 30 CGEDMO C=C1CCC(C(=O)N(CC[N@@H+](C)C(C)C)C(C)C)CC1 ZINC001284545627 809309193 /nfs/dbraw/zinc/30/91/93/809309193.db2.gz YIXBDOCNVKNAFG-UHFFFAOYSA-N 1 1 280.456 3.310 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)C1(F)CCCCC1)C(C)C ZINC001284553541 809309626 /nfs/dbraw/zinc/30/96/26/809309626.db2.gz OTVOHMWALXTJJV-UHFFFAOYSA-N 1 1 284.419 3.014 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NCC1=CC[N@@H+](CC=C(C)C)CC1 ZINC001284950079 809321437 /nfs/dbraw/zinc/32/14/37/809321437.db2.gz ZUBJPKVARNITRN-INIZCTEOSA-N 1 1 290.451 3.303 20 30 CGEDMO C[N@H+]1CCC=C(Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC001175577173 809458024 /nfs/dbraw/zinc/45/80/24/809458024.db2.gz YXHUEOXFRHHMSM-UHFFFAOYSA-N 1 1 281.281 3.208 20 30 CGEDMO Cc1c(Cl)c(C#N)ccc1NC1=CCC[N@H+](C)C1 ZINC001175579130 809459962 /nfs/dbraw/zinc/45/99/62/809459962.db2.gz TXTFILTVZMCYBC-UHFFFAOYSA-N 1 1 261.756 3.151 20 30 CGEDMO N#Cc1cccc([C@@H](O)C[N@H+]2CCC[C@H](C3CCC3)CC2)c1 ZINC001175610593 809472637 /nfs/dbraw/zinc/47/26/37/809472637.db2.gz GXMXXXVLFRISPI-HKUYNNGSSA-N 1 1 298.430 3.494 20 30 CGEDMO C=CCn1cc(Nc2ccc(-n3cc[nH+]c3C)cc2)cn1 ZINC001176546626 809714800 /nfs/dbraw/zinc/71/48/00/809714800.db2.gz XRHGULIYGKGBDM-UHFFFAOYSA-N 1 1 279.347 3.307 20 30 CGEDMO C=CCCCC[N@@H+]1CCn2nc(C(C)(C)C)cc2C1 ZINC001176734825 809754862 /nfs/dbraw/zinc/75/48/62/809754862.db2.gz IWIMAQBJHOCPRQ-UHFFFAOYSA-N 1 1 261.413 3.353 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1CC(=O)Nc1cc(F)ccc1F ZINC001176767571 809758863 /nfs/dbraw/zinc/75/88/63/809758863.db2.gz NWCGPTQZYSZQBB-ZDUSSCGKSA-N 1 1 294.345 3.334 20 30 CGEDMO C#C[C@@H]1CCCC[N@@H+]1Cc1cccc(C(=O)NCC(C)C)c1 ZINC001176832546 809763545 /nfs/dbraw/zinc/76/35/45/809763545.db2.gz DSORUGDSYKGDOX-GOSISDBHSA-N 1 1 298.430 3.060 20 30 CGEDMO CC(C)(C)[C@H]1CC[N@@H+](CCc2ccc(C#N)cc2)CCO1 ZINC001176996428 809773871 /nfs/dbraw/zinc/77/38/71/809773871.db2.gz WRGVAODBPOMQEC-QGZVFWFLSA-N 1 1 286.419 3.238 20 30 CGEDMO C=CC[N@H+](Cc1c2c(nn1C)CCC2)CC1CCCCC1 ZINC001180293161 809990148 /nfs/dbraw/zinc/99/01/48/809990148.db2.gz WELWXOSYHMGTRR-UHFFFAOYSA-N 1 1 287.451 3.477 20 30 CGEDMO C=CCN(C(=O)C[N@H+](C)C1CCCC1)C1CCCCC1 ZINC001180628982 810015649 /nfs/dbraw/zinc/01/56/49/810015649.db2.gz JFGBHGNFKQMEKJ-UHFFFAOYSA-N 1 1 278.440 3.208 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)Cc1cccc(F)c1N ZINC001181638395 810061931 /nfs/dbraw/zinc/06/19/31/810061931.db2.gz RMOIZOICFICVKZ-UHFFFAOYSA-N 1 1 268.335 3.043 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1cccc(F)c1N ZINC001181638395 810061933 /nfs/dbraw/zinc/06/19/33/810061933.db2.gz RMOIZOICFICVKZ-UHFFFAOYSA-N 1 1 268.335 3.043 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CC[C@@H](CC#C)C1 ZINC001183065197 810136341 /nfs/dbraw/zinc/13/63/41/810136341.db2.gz IBRUSVOYHBGEPT-CQSZACIVSA-N 1 1 287.790 3.197 20 30 CGEDMO C#CC[N@@H+](Cc1cnc(CC(C)C)s1)C(C)C ZINC001184116399 810177820 /nfs/dbraw/zinc/17/78/20/810177820.db2.gz WZOVPVILFVIKMY-UHFFFAOYSA-N 1 1 250.411 3.185 20 30 CGEDMO C#CC[N@H+](Cc1cnc(CC(C)C)s1)C(C)C ZINC001184116399 810177822 /nfs/dbraw/zinc/17/78/22/810177822.db2.gz WZOVPVILFVIKMY-UHFFFAOYSA-N 1 1 250.411 3.185 20 30 CGEDMO Cc1cn2cc(Nc3nc(C#N)c(Cl)s3)ccc2[nH+]1 ZINC001185438674 810265792 /nfs/dbraw/zinc/26/57/92/810265792.db2.gz KVFYTVRQRWOOHF-UHFFFAOYSA-N 1 1 289.751 3.368 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)C(C)C)[C@@H]2C1 ZINC001187272531 810392456 /nfs/dbraw/zinc/39/24/56/810392456.db2.gz MDEKIMNGULXLRF-IXDOHACOSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC001188674879 810502212 /nfs/dbraw/zinc/50/22/12/810502212.db2.gz HBSSCIZVHDEIDM-NVXWUHKLSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CCC(C)C)C1 ZINC001188836353 810518658 /nfs/dbraw/zinc/51/86/58/810518658.db2.gz RAFNZIUAXLTNCW-JKSUJKDBSA-N 1 1 280.456 3.310 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)CC(=C)C)[C@@H]2C1 ZINC001188909042 810522752 /nfs/dbraw/zinc/52/27/52/810522752.db2.gz MUNFAHAAJCLULR-YESZJQIVSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]2C[N@@H+](CC3CCCC3)C[C@H]21 ZINC001188985831 810530989 /nfs/dbraw/zinc/53/09/89/810530989.db2.gz UFAQHEZAOKGTGC-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]2C[N@H+](CC/C=C\CC)C[C@H]21 ZINC001189007147 810533818 /nfs/dbraw/zinc/53/38/18/810533818.db2.gz OVMOKCAROOQSMB-FWEDBPMCSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]2C[N@H+](CCCCCC)C[C@H]21 ZINC001189006596 810534156 /nfs/dbraw/zinc/53/41/56/810534156.db2.gz FWSGSNDHJWYBJI-DLBZAZTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)/C=C(/C)C2CC2)C1 ZINC001189131817 810544945 /nfs/dbraw/zinc/54/49/45/810544945.db2.gz CYHFMKSOCIQTIH-NPCRWQHWSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)CCC)C1 ZINC001189271103 810553081 /nfs/dbraw/zinc/55/30/81/810553081.db2.gz XDFRTTUUGOQXBO-TZMCWYRMSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)CCC)C1 ZINC001189271103 810553072 /nfs/dbraw/zinc/55/30/72/810553072.db2.gz XDFRTTUUGOQXBO-TZMCWYRMSA-N 1 1 286.847 3.098 20 30 CGEDMO C=CCCC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)c2ccccc2)C1 ZINC001189318339 810557306 /nfs/dbraw/zinc/55/73/06/810557306.db2.gz JUWKQZAYWBFRLB-NVXWUHKLSA-N 1 1 286.419 3.247 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)/C=C/C2CC2)C1 ZINC001189536721 810575408 /nfs/dbraw/zinc/57/54/08/810575408.db2.gz JOTJWKNPIUMNKP-DVQDXYAYSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)c2oc(C)cc2C)C1 ZINC001189575469 810580095 /nfs/dbraw/zinc/58/00/95/810580095.db2.gz USYYNNUQNMGHOV-HNNXBMFYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)c2cc(C)cs2)C1 ZINC001189993788 810600421 /nfs/dbraw/zinc/60/04/21/810600421.db2.gz CTAUTDRPRPKPJN-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[C@@H]([N@@H+](C)CCC(=C)C)C1 ZINC001190353547 810621228 /nfs/dbraw/zinc/62/12/28/810621228.db2.gz ABVNPAHSCBYLDW-QGZVFWFLSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[C@@H]([N@H+](C)CC[C@H](C)F)C1 ZINC001190354824 810623114 /nfs/dbraw/zinc/62/31/14/810623114.db2.gz QRTQFNQNPVNHDV-GOEBONIOSA-N 1 1 296.430 3.036 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)CCC[C@@H](C)CCC)C1 ZINC001190369673 810623168 /nfs/dbraw/zinc/62/31/68/810623168.db2.gz FKHSZDNODUJVSY-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)C(=C)Cl)C1 ZINC001190355254 810623739 /nfs/dbraw/zinc/62/37/39/810623739.db2.gz XJUBHSUUBDALRQ-CQSZACIVSA-N 1 1 298.858 3.264 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@H]([N@H+](C)CC2CC(C)C2)C1 ZINC001190398476 810625024 /nfs/dbraw/zinc/62/50/24/810625024.db2.gz WEWXROFRXBVMRG-GPANFISMSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001190434901 810628784 /nfs/dbraw/zinc/62/87/84/810628784.db2.gz BULNDSXVQXUTDH-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@](C)(F)CCCC)C1 ZINC001191040935 810665885 /nfs/dbraw/zinc/66/58/85/810665885.db2.gz NFKAYIYPLOBZFX-DOTOQJQBSA-N 1 1 298.446 3.404 20 30 CGEDMO C=C(CC)C[N@@H+](C[C@@H](O)COc1cccc(C)c1)C(C)C ZINC001191203169 810687834 /nfs/dbraw/zinc/68/78/34/810687834.db2.gz MBFHAPAMBNQKFT-QGZVFWFLSA-N 1 1 291.435 3.411 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC001191508631 810720401 /nfs/dbraw/zinc/72/04/01/810720401.db2.gz DMZCENQCXGVSAX-KBPBESRZSA-N 1 1 267.413 3.395 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)C[C@H](C)CC)C1 ZINC001191684686 810730300 /nfs/dbraw/zinc/73/03/00/810730300.db2.gz UGVINTADVBRBGD-HUUCEWRRSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)C(C)(C)C)C1 ZINC001191727664 810732644 /nfs/dbraw/zinc/73/26/44/810732644.db2.gz PFQLMQPOXGGZEL-CQSZACIVSA-N 1 1 280.456 3.168 20 30 CGEDMO C#CCCCCCC(=O)N1CC[C@@H]([N@H+](C)C[C@H](C)CC)C1 ZINC001191754059 810736808 /nfs/dbraw/zinc/73/68/08/810736808.db2.gz KIXZFRSCNQNDPG-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([N@H+](C)CC/C=C\CC)C1 ZINC001191867548 810752494 /nfs/dbraw/zinc/75/24/94/810752494.db2.gz DVIHDDMXYDNPRI-PRJTXATQSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CCCC2CC2)C1 ZINC001191890875 810754190 /nfs/dbraw/zinc/75/41/90/810754190.db2.gz VPIKRIQXDPCSRN-RDJZCZTQSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC[C@H]([N@@H+](C)CCC(C)C)C1 ZINC001191889121 810754768 /nfs/dbraw/zinc/75/47/68/810754768.db2.gz BEHJVJULESJDOR-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([N@@H+](C)CC2CCCC2)C1 ZINC001191902485 810756070 /nfs/dbraw/zinc/75/60/70/810756070.db2.gz OZTMLESMRRVGLP-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)CCC)C1 ZINC001192083561 810768584 /nfs/dbraw/zinc/76/85/84/810768584.db2.gz RWHFADOMOZGNSJ-ZDUSSCGKSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)CCC)C1 ZINC001192083561 810768588 /nfs/dbraw/zinc/76/85/88/810768588.db2.gz RWHFADOMOZGNSJ-ZDUSSCGKSA-N 1 1 286.847 3.098 20 30 CGEDMO C=CCCCC(=O)N1CC[C@@H]([N@@H+](C)CC2CCCCC2)C1 ZINC001192095090 810770005 /nfs/dbraw/zinc/77/00/05/810770005.db2.gz ZKLVRLQSAIRVMK-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C1CCC(C(=O)N2CC[C@@H]([N@H+](C)C[C@@H](C)CC)C2)CC1 ZINC001192180864 810773589 /nfs/dbraw/zinc/77/35/89/810773589.db2.gz NTRCUYWAGFUSJI-WMLDXEAASA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C2(CC)CC2)C1 ZINC001192189347 810774483 /nfs/dbraw/zinc/77/44/83/810774483.db2.gz DLBRLGNXSBZWMQ-LSDHHAIUSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCC1(C(=O)N2CC[C@@H]([N@H+](C)CCC(C)C)C2)CC1 ZINC001192216937 810777110 /nfs/dbraw/zinc/77/71/10/810777110.db2.gz ABIFGTIUKZSZDS-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CC[N@@H+](CC1CC1)C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC001192305631 810785606 /nfs/dbraw/zinc/78/56/06/810785606.db2.gz YNTVHFKGNCPDLR-ZWKOTPCHSA-N 1 1 269.388 3.252 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC23CC3)C1 ZINC001192533908 810805880 /nfs/dbraw/zinc/80/58/80/810805880.db2.gz QSJOJPMYGOPPFK-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)CCCCCC(C)C)C1 ZINC001192680693 810814696 /nfs/dbraw/zinc/81/46/96/810814696.db2.gz VZLDSNQDQMDXLV-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC1(CC(=O)N2CC[C@H]([N@H+](C)CCC)C2)CCCCC1 ZINC001192826354 810823780 /nfs/dbraw/zinc/82/37/80/810823780.db2.gz QZKOTBWYBMVEIJ-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)C2(CC)CCCC2)C1 ZINC001193171240 810862461 /nfs/dbraw/zinc/86/24/61/810862461.db2.gz SVJTVYVUGMXDOE-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CCC2(C)CC2)C1 ZINC001193259066 810867664 /nfs/dbraw/zinc/86/76/64/810867664.db2.gz ZHTBQDBIFDZHMU-HOTGVXAUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](F)CCCCCC)C1 ZINC001193479438 810893901 /nfs/dbraw/zinc/89/39/01/810893901.db2.gz VOFDDAWRDWWLPS-CVEARBPZSA-N 1 1 298.446 3.404 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)Cc1cccc(F)c1Cl ZINC001193920587 810979839 /nfs/dbraw/zinc/97/98/39/810979839.db2.gz PGIZJSVOIKDXMD-UHFFFAOYSA-N 1 1 284.806 3.419 20 30 CGEDMO C=CC[C@@H]1[N@@H+](CCCC(=O)OCC)CCCC1(C)C ZINC001193921003 810980799 /nfs/dbraw/zinc/98/07/99/810980799.db2.gz STIQSDUEPYAJQH-AWEZNQCLSA-N 1 1 267.413 3.396 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001193943303 810981199 /nfs/dbraw/zinc/98/11/99/810981199.db2.gz UGFRAJLPXASYCC-CQSZACIVSA-N 1 1 290.363 3.404 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C(C)(CC)CC)C1 ZINC001194146640 811021210 /nfs/dbraw/zinc/02/12/10/811021210.db2.gz UBOCYGJLWVMUKI-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@H]([N@H+](C)C(C)C)C2)CCCC1 ZINC001194565828 811090858 /nfs/dbraw/zinc/09/08/58/811090858.db2.gz APOWTDOGNOGBOK-HNNXBMFYSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@H]([N@H+](C)CCCC)C2)CCCC1 ZINC001194566290 811091764 /nfs/dbraw/zinc/09/17/64/811091764.db2.gz DLPWFUYSLBGUMQ-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C[C@H]2C=CCC2)CC1 ZINC001194761122 811125686 /nfs/dbraw/zinc/12/56/86/811125686.db2.gz AWPNJANKHJILJG-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C#CCCCC(=O)N1CCC[N@H+](CCCCCC=C)CC1 ZINC001195675637 811278602 /nfs/dbraw/zinc/27/86/02/811278602.db2.gz WZDSTJPXRDDZRV-UHFFFAOYSA-N 1 1 290.451 3.071 20 30 CGEDMO C[Si](C)(C[N@H+]1Cc2cccc(C#N)c2C1)c1ccccc1 ZINC001195704923 811280953 /nfs/dbraw/zinc/28/09/53/811280953.db2.gz ROYJHNZUQUCTOT-UHFFFAOYSA-N 1 1 292.458 3.029 20 30 CGEDMO CC#CC[N@H+]1CCCN(C(=O)CCCC[C@@H](C)CC)CC1 ZINC001195957721 811304850 /nfs/dbraw/zinc/30/48/50/811304850.db2.gz GGPYMRGEMXLWDJ-KRWDZBQOSA-N 1 1 292.467 3.151 20 30 CGEDMO CC#CC[N@@H+]1CCCN(C(=O)CCCC[C@@H](C)CC)CC1 ZINC001195957721 811304860 /nfs/dbraw/zinc/30/48/60/811304860.db2.gz GGPYMRGEMXLWDJ-KRWDZBQOSA-N 1 1 292.467 3.151 20 30 CGEDMO CC#CC[N@@H+]1CCCN(C(=O)CCCCC(C)(C)C)CC1 ZINC001195957562 811306521 /nfs/dbraw/zinc/30/65/21/811306521.db2.gz CCBBEWZPIPFQKA-UHFFFAOYSA-N 1 1 292.467 3.151 20 30 CGEDMO CC#CC[N@H+]1CCCN(C(=O)CCCCC(C)(C)C)CC1 ZINC001195957562 811306531 /nfs/dbraw/zinc/30/65/31/811306531.db2.gz CCBBEWZPIPFQKA-UHFFFAOYSA-N 1 1 292.467 3.151 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC001196023722 811311098 /nfs/dbraw/zinc/31/10/98/811311098.db2.gz WEJAQYUIEMYLSL-INIZCTEOSA-N 1 1 278.444 3.351 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(F)c2cccnc12)[C@H](C)COC ZINC001196047744 811313948 /nfs/dbraw/zinc/31/39/48/811313948.db2.gz CSKQWDUOMYWIBR-CYBMUJFWSA-N 1 1 288.366 3.397 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CCC2(C)C)CC1 ZINC001196823388 811370140 /nfs/dbraw/zinc/37/01/40/811370140.db2.gz JHGWFRUMCXQWIL-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)C/C=C(/C)C=C)CC1 ZINC001196822770 811370632 /nfs/dbraw/zinc/37/06/32/811370632.db2.gz CTGSFNBMAASRGA-SXGWCWSVSA-N 1 1 276.424 3.009 20 30 CGEDMO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@H+](CC/C=C/CC)CC1 ZINC001196854819 811375048 /nfs/dbraw/zinc/37/50/48/811375048.db2.gz UKNCMLWUGCSBKI-UAEOLWBESA-N 1 1 292.467 3.335 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[N@@H+](CCCCCF)CC1 ZINC001196889933 811380525 /nfs/dbraw/zinc/38/05/25/811380525.db2.gz LXJOSTLRAZCVHL-MRXNPFEDSA-N 1 1 298.446 3.263 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@H](C)C2)CC1 ZINC001196943554 811385387 /nfs/dbraw/zinc/38/53/87/811385387.db2.gz QSJYCVFQUFGMBH-DLBZAZTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCCC(=O)N1CCC[N@@H+](CC2CCCC2)CC1 ZINC001196977652 811389430 /nfs/dbraw/zinc/38/94/30/811389430.db2.gz RNMQIMHFLASZMM-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCC1(C(=O)N2CCC[N@@H+](C/C=C\Cl)CC2)CCC1 ZINC001197077410 811397042 /nfs/dbraw/zinc/39/70/42/811397042.db2.gz RSORRCMRGSGSFK-WTKPLQERSA-N 1 1 296.842 3.020 20 30 CGEDMO C=CCC1(C(=O)N2CCC[N@H+](C/C=C\Cl)CC2)CCC1 ZINC001197077410 811397047 /nfs/dbraw/zinc/39/70/47/811397047.db2.gz RSORRCMRGSGSFK-WTKPLQERSA-N 1 1 296.842 3.020 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C(C)(C)CC=C)CC1 ZINC001197291356 811412200 /nfs/dbraw/zinc/41/22/00/811412200.db2.gz AVDHQHPNKZGFQZ-MRXNPFEDSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)CC[C@H](C)CC)CC1 ZINC001197546283 811428760 /nfs/dbraw/zinc/42/87/60/811428760.db2.gz YXISBVCWGUNJDZ-MRXNPFEDSA-N 1 1 280.456 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H](CC)CC(C)C)CC1 ZINC001197737695 811450388 /nfs/dbraw/zinc/45/03/88/811450388.db2.gz GNNNXOARGOOARB-INIZCTEOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]2CC[C@]21CNC(=O)OC(C)(C)C ZINC001198188362 811482807 /nfs/dbraw/zinc/48/28/07/811482807.db2.gz YYZCIZQUNVWNNQ-YOEHRIQHSA-N 1 1 294.439 3.332 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC001198489578 811508719 /nfs/dbraw/zinc/50/87/19/811508719.db2.gz CDIZPEPBVAGGBU-CABCVRRESA-N 1 1 290.794 3.483 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@@H](C3CCCC3)C2)n1 ZINC001198705006 811537001 /nfs/dbraw/zinc/53/70/01/811537001.db2.gz GFFHPOIIATUAKU-CYBMUJFWSA-N 1 1 275.421 3.417 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CCC[C@@H](C3CCCC3)C2)n1 ZINC001198705006 811536999 /nfs/dbraw/zinc/53/69/99/811536999.db2.gz GFFHPOIIATUAKU-CYBMUJFWSA-N 1 1 275.421 3.417 20 30 CGEDMO CC[C@@H](C)C[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001201516046 811879332 /nfs/dbraw/zinc/87/93/32/811879332.db2.gz TZQFRVQIJMTODE-ZBFHGGJFSA-N 1 1 272.392 3.448 20 30 CGEDMO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](CC(CC)CC)CCO2 ZINC001201528638 811886973 /nfs/dbraw/zinc/88/69/73/811886973.db2.gz VKNSATSKPSSIBS-QZTJIDSGSA-N 1 1 295.467 3.496 20 30 CGEDMO CSCCC[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001201697619 811939288 /nfs/dbraw/zinc/93/92/88/811939288.db2.gz KITRBFNWFLUDOK-MRXNPFEDSA-N 1 1 290.432 3.155 20 30 CGEDMO CCCCCC[N@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001201753880 811959257 /nfs/dbraw/zinc/95/92/57/811959257.db2.gz DQCAICJCSARUDR-UHFFFAOYSA-N 1 1 286.423 3.046 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]2OCCC[C@]2(COC)C1 ZINC001201776928 811964733 /nfs/dbraw/zinc/96/47/33/811964733.db2.gz PIKWMBKOSYZJER-IAGOWNOFSA-N 1 1 283.456 3.474 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@@H]2C[C@@]21C(=O)OCC ZINC001201804446 811966838 /nfs/dbraw/zinc/96/68/38/811966838.db2.gz JYBFCPLSSVQEHH-ZBFHGGJFSA-N 1 1 267.413 3.374 20 30 CGEDMO CCCCCCCCN1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001201825888 811967751 /nfs/dbraw/zinc/96/77/51/811967751.db2.gz HJYXPCNTLXLTNC-HDICACEKSA-N 1 1 294.483 3.142 20 30 CGEDMO CCCCCCCC[N@H+]1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001201825888 811967754 /nfs/dbraw/zinc/96/77/54/811967754.db2.gz HJYXPCNTLXLTNC-HDICACEKSA-N 1 1 294.483 3.142 20 30 CGEDMO CCCCCCCC[N@@H+]1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001201825888 811967759 /nfs/dbraw/zinc/96/77/59/811967759.db2.gz HJYXPCNTLXLTNC-HDICACEKSA-N 1 1 294.483 3.142 20 30 CGEDMO CCCCCCCCC[N@@H+](C)CCC1OCCO1 ZINC001201845966 811971302 /nfs/dbraw/zinc/97/13/02/811971302.db2.gz BHKMGNCNVRTACB-UHFFFAOYSA-N 1 1 257.418 3.432 20 30 CGEDMO C=CCCCCCCCC[N@H+]1CC[C@@](F)(CN)C1 ZINC001236434566 819478469 /nfs/dbraw/zinc/47/84/69/819478469.db2.gz NFFJMFNMMURASN-OAHLLOKOSA-N 1 1 256.409 3.276 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CC[C@@](F)(CN)C1 ZINC001236434566 819478475 /nfs/dbraw/zinc/47/84/75/819478475.db2.gz NFFJMFNMMURASN-OAHLLOKOSA-N 1 1 256.409 3.276 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc(Cl)c1 ZINC001202254950 812052000 /nfs/dbraw/zinc/05/20/00/812052000.db2.gz VASORQYQMHDXIU-AWEZNQCLSA-N 1 1 293.798 3.112 20 30 CGEDMO CCc1cc(C[NH+]2CCC(C#N)(c3ccccc3)CC2)on1 ZINC001203213279 812268010 /nfs/dbraw/zinc/26/80/10/812268010.db2.gz WHWHFQQMBNQBEN-UHFFFAOYSA-N 1 1 295.386 3.294 20 30 CGEDMO N#Cc1cccc(O[C@H]2CCC[N@@H+](Cc3ccco3)C2)c1 ZINC001203285988 812292908 /nfs/dbraw/zinc/29/29/08/812292908.db2.gz YFENWNLFWYHDOC-KRWDZBQOSA-N 1 1 282.343 3.195 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccccc2Br)C1 ZINC001203329067 812313677 /nfs/dbraw/zinc/31/36/77/812313677.db2.gz UNKGTAXFTKVYJQ-LBPRGKRZSA-N 1 1 278.193 3.294 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)c1 ZINC001203760307 812456717 /nfs/dbraw/zinc/45/67/17/812456717.db2.gz GYFGZAKQBDXWPR-SFHVURJKSA-N 1 1 296.345 3.351 20 30 CGEDMO C=CC[NH+]1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC001203802482 812465735 /nfs/dbraw/zinc/46/57/35/812465735.db2.gz GIUFUQVGIJJVSL-UHFFFAOYSA-N 1 1 285.218 3.297 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc(C(F)(F)F)cc2)CCOCC1 ZINC001204027316 812524990 /nfs/dbraw/zinc/52/49/90/812524990.db2.gz FBQCJTQRKGHGJI-UHFFFAOYSA-N 1 1 298.308 3.115 20 30 CGEDMO N#Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3ccoc3)C2)c1 ZINC001204244333 812585215 /nfs/dbraw/zinc/58/52/15/812585215.db2.gz ZDTQETKJLNLDNY-QGZVFWFLSA-N 1 1 282.343 3.195 20 30 CGEDMO Cc1[nH]c2ccccc2c1C[N@@H+]1CCC[C@@H](C#N)C1 ZINC001204294269 812603572 /nfs/dbraw/zinc/60/35/72/812603572.db2.gz MIWDNEUMLPMQKG-ZDUSSCGKSA-N 1 1 253.349 3.212 20 30 CGEDMO Cc1[nH]c2ccccc2c1C[N@H+]1CCC[C@@H](C#N)C1 ZINC001204294269 812603575 /nfs/dbraw/zinc/60/35/75/812603575.db2.gz MIWDNEUMLPMQKG-ZDUSSCGKSA-N 1 1 253.349 3.212 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CC[C@@H](C(=O)c2ccccc2)C1 ZINC001204372498 812623318 /nfs/dbraw/zinc/62/33/18/812623318.db2.gz FGDXZNQRIJONSX-GOSISDBHSA-N 1 1 290.366 3.263 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CC[C@@H](C(=O)c2ccccc2)C1 ZINC001204372498 812623325 /nfs/dbraw/zinc/62/33/25/812623325.db2.gz FGDXZNQRIJONSX-GOSISDBHSA-N 1 1 290.366 3.263 20 30 CGEDMO COCC[N@H+](CCC#N)Cc1cccc2c(OC)cccc12 ZINC001204497784 812657332 /nfs/dbraw/zinc/65/73/32/812657332.db2.gz SXXIJGHRSLCPMF-UHFFFAOYSA-N 1 1 298.386 3.210 20 30 CGEDMO COCC[N@@H+](CCC#N)Cc1cccc2c(OC)cccc12 ZINC001204497784 812657337 /nfs/dbraw/zinc/65/73/37/812657337.db2.gz SXXIJGHRSLCPMF-UHFFFAOYSA-N 1 1 298.386 3.210 20 30 CGEDMO C(#CC1CC[NH+](Cc2nccs2)CC1)c1ccccc1 ZINC001204549064 812675210 /nfs/dbraw/zinc/67/52/10/812675210.db2.gz DGHMKLISTFJAQO-UHFFFAOYSA-N 1 1 282.412 3.407 20 30 CGEDMO C#CC[N@H+](Cc1cc2c(cccc2C)[nH]1)CC1CC1 ZINC001204640463 812698732 /nfs/dbraw/zinc/69/87/32/812698732.db2.gz LHYUDGMKCGPMEZ-UHFFFAOYSA-N 1 1 252.361 3.322 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)C[C@@](C)(OC)C1CC1 ZINC001204984526 812810113 /nfs/dbraw/zinc/81/01/13/812810113.db2.gz KDKMYBXOCOBMTQ-MRXNPFEDSA-N 1 1 263.381 3.125 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2cccc3[nH]ccc32)CC1 ZINC001205289816 812933833 /nfs/dbraw/zinc/93/38/33/812933833.db2.gz MYDXUTCUIJJXPP-CYBMUJFWSA-N 1 1 253.349 3.294 20 30 CGEDMO Cc1ccc(C[N@@H+](C)Cc2ccc(F)c(C#N)c2)cn1 ZINC001205502325 812992321 /nfs/dbraw/zinc/99/23/21/812992321.db2.gz QIQYXURYVKSZIK-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO Cc1ccc(C[N@H+](C)Cc2ccc(F)c(C#N)c2)cn1 ZINC001205502325 812992325 /nfs/dbraw/zinc/99/23/25/812992325.db2.gz QIQYXURYVKSZIK-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)CC1CC(OC)C1 ZINC001205757717 813068611 /nfs/dbraw/zinc/06/86/11/813068611.db2.gz FXMAQXGAPVVERK-UHFFFAOYSA-N 1 1 291.439 3.267 20 30 CGEDMO C#C[C@H](NC1CC[NH+](CCC(C)C)CC1)C(C)(C)C ZINC001206077167 813191730 /nfs/dbraw/zinc/19/17/30/813191730.db2.gz IMDGJMKMKIUBKO-INIZCTEOSA-N 1 1 264.457 3.134 20 30 CGEDMO C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]CC#Cc1ccccc1 ZINC001206108304 813201517 /nfs/dbraw/zinc/20/15/17/813201517.db2.gz DAUMTDHIVKGMQD-KBXCAEBGSA-N 1 1 263.340 3.150 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@H](N)[C@H](F)CC2)CC1 ZINC001206153760 813217413 /nfs/dbraw/zinc/21/74/13/813217413.db2.gz FNGKDBVONFWEIE-BZUAXINKSA-N 1 1 266.404 3.050 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)c2ccccc2)C[C@H]1C ZINC001206509247 813338838 /nfs/dbraw/zinc/33/88/38/813338838.db2.gz HHMUWNDZDCYOSY-BFYDXBDKSA-N 1 1 286.419 3.150 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)CCC)C1 ZINC001206518410 813339919 /nfs/dbraw/zinc/33/99/19/813339919.db2.gz XDZVOXINSWNMDF-ARFHVFGLSA-N 1 1 280.456 3.215 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1Nc1nc(Cl)ccc1C#N ZINC001206723393 813407989 /nfs/dbraw/zinc/40/79/89/813407989.db2.gz OKALNQWSNIFYIT-UHFFFAOYSA-N 1 1 287.754 3.120 20 30 CGEDMO C=C(C)CO[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC001206750548 813420096 /nfs/dbraw/zinc/42/00/96/813420096.db2.gz KCHFCAZXFXNTIE-FGTMMUONSA-N 1 1 271.404 3.490 20 30 CGEDMO C=CCC[N@H+](Cc1cc(C#N)n(C)c1)Cc1ccccc1 ZINC001207106339 813487161 /nfs/dbraw/zinc/48/71/61/813487161.db2.gz JXAKNYDQNPEBRK-UHFFFAOYSA-N 1 1 279.387 3.475 20 30 CGEDMO C=CCN(CC[N@H+](C)[C@@H](C)CC)C(=O)OC(C)(C)C ZINC001207201985 813515971 /nfs/dbraw/zinc/51/59/71/813515971.db2.gz IHSQOGZMKYOZFF-ZDUSSCGKSA-N 1 1 270.417 3.140 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1ccc(C#N)cc1F ZINC001207218380 813517066 /nfs/dbraw/zinc/51/70/66/813517066.db2.gz KAEBVZOPSKXRIU-UHFFFAOYSA-N 1 1 293.345 3.244 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccsc2)C[C@H]1C ZINC001207215599 813517302 /nfs/dbraw/zinc/51/73/02/813517302.db2.gz MOVHWSNSXZDGAO-UKRRQHHQSA-N 1 1 292.448 3.041 20 30 CGEDMO CC(C)(O)CCCC1=CC[C@@H](C[N@H+]2CC[C@H](C#N)C2)CC1 ZINC001207413868 813558821 /nfs/dbraw/zinc/55/88/21/813558821.db2.gz STQKMFXGKGDTEM-IAGOWNOFSA-N 1 1 290.451 3.500 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](CCCc2cccc(F)c2)CC1 ZINC001207604795 813608764 /nfs/dbraw/zinc/60/87/64/813608764.db2.gz AQVOJRITYNFNSU-OAHLLOKOSA-N 1 1 260.356 3.384 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C(CC)CC)C1 ZINC001207784749 813649747 /nfs/dbraw/zinc/64/97/47/813649747.db2.gz SVDDZHGTONVWMA-HLLBOEOZSA-N 1 1 294.483 3.461 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](CCc2c(F)cccc2F)CC1 ZINC001208116476 813696066 /nfs/dbraw/zinc/69/60/66/813696066.db2.gz CNEAWYACWTXHRC-GFCCVEGCSA-N 1 1 264.319 3.133 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001208120963 813698371 /nfs/dbraw/zinc/69/83/71/813698371.db2.gz XDZYDGQEKYMUAF-JJGIJDNGSA-N 1 1 257.393 3.308 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@H](n3ccnn3)C2)CC1 ZINC001208179414 813730361 /nfs/dbraw/zinc/73/03/61/813730361.db2.gz YMCULDLNAJYAOI-SJORKVTESA-N 1 1 286.423 3.218 20 30 CGEDMO COC(C)(C)CCC[C@H](C)CC[N@H+]1CC[C@@H](C#N)C1 ZINC001208217082 813748430 /nfs/dbraw/zinc/74/84/30/813748430.db2.gz IHVPMFPGEJCOIN-GJZGRUSLSA-N 1 1 266.429 3.453 20 30 CGEDMO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)CC)C[C@H]1C ZINC001208315060 813753992 /nfs/dbraw/zinc/75/39/92/813753992.db2.gz HRXWIXPXOQWBDM-BRWVUGGUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](CC/C=C/CC)C[C@H]1C ZINC001208392860 813759648 /nfs/dbraw/zinc/75/96/48/813759648.db2.gz DFVOZUCRUOSRMU-LIZFRFSKSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1C[N@@H+](CCCC(C)C)C[C@H]1C ZINC001208452285 813761867 /nfs/dbraw/zinc/76/18/67/813761867.db2.gz DKQSDGQUWLECLQ-HZPDHXFCSA-N 1 1 280.456 3.215 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](C[C@H]2CCCCN2Cc2ccccc2)C1 ZINC001208591931 813769349 /nfs/dbraw/zinc/76/93/49/813769349.db2.gz PTQKFWGJEOPRLA-AZUAARDMSA-N 1 1 296.458 3.386 20 30 CGEDMO C#C[C@H]1CCCN(C[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC001208591931 813769351 /nfs/dbraw/zinc/76/93/51/813769351.db2.gz PTQKFWGJEOPRLA-AZUAARDMSA-N 1 1 296.458 3.386 20 30 CGEDMO C#C[C@H]1CCCN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001208591931 813769356 /nfs/dbraw/zinc/76/93/56/813769356.db2.gz PTQKFWGJEOPRLA-AZUAARDMSA-N 1 1 296.458 3.386 20 30 CGEDMO CCN(CC)CC[N@@H+](CC)CCCc1cccc(C#N)c1 ZINC001208853858 813865776 /nfs/dbraw/zinc/86/57/76/813865776.db2.gz ZELYAKLVFOBOGS-UHFFFAOYSA-N 1 1 287.451 3.155 20 30 CGEDMO CCN(CCCc1cccc(C#N)c1)CC[NH+](CC)CC ZINC001208853858 813865782 /nfs/dbraw/zinc/86/57/82/813865782.db2.gz ZELYAKLVFOBOGS-UHFFFAOYSA-N 1 1 287.451 3.155 20 30 CGEDMO N#Cc1ccc(CCC[N@@H+]2CCc3c(O)cccc3C2)cc1 ZINC001208860964 813870777 /nfs/dbraw/zinc/87/07/77/813870777.db2.gz ZVZROYKJUAZDTL-UHFFFAOYSA-N 1 1 292.382 3.255 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](CC2CCN(c3ccccc3)CC2)C1 ZINC001208911962 813897090 /nfs/dbraw/zinc/89/70/90/813897090.db2.gz KBMKVBAXEXQBGP-QGZVFWFLSA-N 1 1 282.431 3.248 20 30 CGEDMO C=CCN(CC[N@H+](CCC)[C@@H](C)CC)C(=O)OCC ZINC001209015666 813917529 /nfs/dbraw/zinc/91/75/29/813917529.db2.gz QODYFZHJUIICQR-AWEZNQCLSA-N 1 1 270.417 3.141 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CC2CCCC2)C1 ZINC001209115592 813938582 /nfs/dbraw/zinc/93/85/82/813938582.db2.gz GRZLWQGLPKYABK-ZMSDIMECSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)CC2CCCC2)C1 ZINC001209125597 813941987 /nfs/dbraw/zinc/94/19/87/813941987.db2.gz OLIIHNLUUNQJLW-DJIMGWMZSA-N 1 1 292.467 3.215 20 30 CGEDMO CCC[N@H+](CCC#N)CCc1cc(F)cc(F)c1 ZINC001209134145 813944355 /nfs/dbraw/zinc/94/43/55/813944355.db2.gz BZFSKLXXUBRYSJ-UHFFFAOYSA-N 1 1 252.308 3.133 20 30 CGEDMO CCC[N@@H+](CCC#N)CCc1cc(F)cc(F)c1 ZINC001209134145 813944361 /nfs/dbraw/zinc/94/43/61/813944361.db2.gz BZFSKLXXUBRYSJ-UHFFFAOYSA-N 1 1 252.308 3.133 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]1CC(=O)OC(C)(C)C ZINC001209162632 813953076 /nfs/dbraw/zinc/95/30/76/813953076.db2.gz JZFNEXNIUBKMQO-CYBMUJFWSA-N 1 1 253.386 3.149 20 30 CGEDMO C=CC[N@H+](CC1COC(C)(C)OC1)C1CCCCC1 ZINC001209200317 813964691 /nfs/dbraw/zinc/96/46/91/813964691.db2.gz CSKFRQHHRGCLJD-UHFFFAOYSA-N 1 1 267.413 3.206 20 30 CGEDMO C=CCCCC[N@@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001209201277 813964865 /nfs/dbraw/zinc/96/48/65/813964865.db2.gz XTGLGBAZBNDYEW-UHFFFAOYSA-N 1 1 282.428 3.286 20 30 CGEDMO C=CCCCC[N@H+]1CC[C@@H]2[C@@H](CN2C(=O)OC(C)(C)C)C1 ZINC001209200355 813965174 /nfs/dbraw/zinc/96/51/74/813965174.db2.gz GRBMBARXOHJNKU-HUUCEWRRSA-N 1 1 294.439 3.284 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@@](C)(C(=O)OCC)C1 ZINC001209206800 813966757 /nfs/dbraw/zinc/96/67/57/813966757.db2.gz AWQBSQOZINYOEU-OAHLLOKOSA-N 1 1 253.386 3.008 20 30 CGEDMO C=CCCCC[N@@H+]1CCn2c(COCC)cnc2[C@H]1C ZINC001209202545 813966797 /nfs/dbraw/zinc/96/67/97/813966797.db2.gz DVCYKVZMAGPBCZ-CQSZACIVSA-N 1 1 277.412 3.153 20 30 CGEDMO C=CCCCC[N@H+]1CCn2c(COCC)cnc2[C@H]1C ZINC001209202545 813966802 /nfs/dbraw/zinc/96/68/02/813966802.db2.gz DVCYKVZMAGPBCZ-CQSZACIVSA-N 1 1 277.412 3.153 20 30 CGEDMO C=CCCCC[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001209207031 813968902 /nfs/dbraw/zinc/96/89/02/813968902.db2.gz IKLUEDXTCCFJHY-UHFFFAOYSA-N 1 1 261.365 3.202 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](CC2Cc3ccccc3C2)CC1 ZINC001209321763 813998988 /nfs/dbraw/zinc/99/89/88/813998988.db2.gz KCJCCAUQZOTXNX-CQSZACIVSA-N 1 1 254.377 3.027 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](C(=O)OC)[C@@H]1C ZINC001209428548 814029716 /nfs/dbraw/zinc/02/97/16/814029716.db2.gz KZSLFPBQSXUESJ-UONOGXRCSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](C[C@H]1C[C@@H]1C)[C@@H]2CC ZINC001209411112 814017384 /nfs/dbraw/zinc/01/73/84/814017384.db2.gz BDPYUNSKAWLKKR-LHHMISFZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCCCCCC[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC001209431769 814032104 /nfs/dbraw/zinc/03/21/04/814032104.db2.gz SNRJZKYFOYXDRB-ZDUSSCGKSA-N 1 1 261.356 3.072 20 30 CGEDMO C=CCCCCCC[N@@H+]1CC[C@@H](Oc2ncncc2C)C1 ZINC001209438488 814039426 /nfs/dbraw/zinc/03/94/26/814039426.db2.gz MDJZZJNSDRMHDT-MRXNPFEDSA-N 1 1 289.423 3.375 20 30 CGEDMO C=CCCCCCC[N@H+]1CCC[C@H](Oc2ncccn2)C1 ZINC001209440872 814040975 /nfs/dbraw/zinc/04/09/75/814040975.db2.gz QOXZTEJIKRCLJQ-INIZCTEOSA-N 1 1 289.423 3.456 20 30 CGEDMO C=CCCCCCCCC[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC001209442638 814044079 /nfs/dbraw/zinc/04/40/79/814044079.db2.gz ALCHXIITICKQTK-GOSISDBHSA-N 1 1 294.483 3.310 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(N2CCCC2)nc1)C(C)(C)C ZINC001209627380 814099752 /nfs/dbraw/zinc/09/97/52/814099752.db2.gz QQFXFDQGTWCPMU-UHFFFAOYSA-N 1 1 273.424 3.468 20 30 CGEDMO C=CC[N@H+](Cc1cnc(OC)c(OC)c1)C1CCCCC1 ZINC001209619375 814099951 /nfs/dbraw/zinc/09/99/51/814099951.db2.gz UAGQRZBDBSLEGS-UHFFFAOYSA-N 1 1 290.407 3.420 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCCC(C)C)C1 ZINC001209618589 814100845 /nfs/dbraw/zinc/10/08/45/814100845.db2.gz SMRNOYDXFHGVRZ-HZPDHXFCSA-N 1 1 280.456 3.215 20 30 CGEDMO CCCCCCC[N@@H+](C)Cc1ccnc(OC)c1 ZINC001209638983 814103395 /nfs/dbraw/zinc/10/33/95/814103395.db2.gz JDDKIPGDBRFFNT-UHFFFAOYSA-N 1 1 250.386 3.492 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H](C)CC)C1 ZINC001209698542 814114989 /nfs/dbraw/zinc/11/49/89/814114989.db2.gz QLUYCNSSIWKRHI-ARFHVFGLSA-N 1 1 280.456 3.215 20 30 CGEDMO C#Cc1cc(Nc2ccc3[nH]c[nH+]c3c2)ccc1F ZINC001209846303 814163386 /nfs/dbraw/zinc/16/33/86/814163386.db2.gz ALAJIZBJIFJTAL-UHFFFAOYSA-N 1 1 251.264 3.427 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)CC(C)C)C1 ZINC001210213921 814344837 /nfs/dbraw/zinc/34/48/37/814344837.db2.gz QYZCXZGSSCXVFZ-BZUAXINKSA-N 1 1 280.456 3.071 20 30 CGEDMO CCCCCCCC[C@@H](C)OCC[NH+]1CCOCC1 ZINC001210225028 814352525 /nfs/dbraw/zinc/35/25/25/814352525.db2.gz NDVGIAXFKBYDNJ-MRXNPFEDSA-N 1 1 271.445 3.474 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001210226243 814354720 /nfs/dbraw/zinc/35/47/20/814354720.db2.gz NQMCBYIHOYRWHC-OWCLPIDISA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001210308350 814396031 /nfs/dbraw/zinc/39/60/31/814396031.db2.gz YLXKKUIUQFMNKT-ARFHVFGLSA-N 1 1 294.483 3.461 20 30 CGEDMO Cc1cnc(NC2=CC[C@H]([NH+]3CCCC3)CC2)c(C#N)c1 ZINC001210706405 814590761 /nfs/dbraw/zinc/59/07/61/814590761.db2.gz LZJZYQHNPXIMAS-INIZCTEOSA-N 1 1 282.391 3.206 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nnc(-c2ccc(CC)cc2)o1 ZINC001217757759 815954992 /nfs/dbraw/zinc/95/49/92/815954992.db2.gz SJYBEULUIGZJKQ-AWEZNQCLSA-N 1 1 269.348 3.102 20 30 CGEDMO C=CCCCCCCCCCO[C@@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001217804221 815967832 /nfs/dbraw/zinc/96/78/32/815967832.db2.gz VXIWMVONFSWTME-ZWKOTPCHSA-N 1 1 294.483 3.356 20 30 CGEDMO C=CCCCCCCCCCO[C@@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001217804221 815967834 /nfs/dbraw/zinc/96/78/34/815967834.db2.gz VXIWMVONFSWTME-ZWKOTPCHSA-N 1 1 294.483 3.356 20 30 CGEDMO C=C(C)C[C@@H](Oc1ccc(C(=O)C[NH3+])cc1)C(=C)C ZINC001218435972 816212461 /nfs/dbraw/zinc/21/24/61/816212461.db2.gz GWEKJFVLQOEVDS-MRXNPFEDSA-N 1 1 259.349 3.118 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC(C)(C)C)[C@@H]2C1 ZINC001221269910 816307656 /nfs/dbraw/zinc/30/76/56/816307656.db2.gz BUSHVHALTFZXPF-ARFHVFGLSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)C(C)C)[C@@H]2C1 ZINC001221436325 816314344 /nfs/dbraw/zinc/31/43/44/816314344.db2.gz UHRYOZXJSNBDKB-GVDBMIGSSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[C@H](C)CC)[C@@H]2C1 ZINC001221578171 816320820 /nfs/dbraw/zinc/32/08/20/816320820.db2.gz VXRZPJOSKCSFRN-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@](C)(F)CCCC)[C@@H]2C1 ZINC001221661105 816323793 /nfs/dbraw/zinc/32/37/93/816323793.db2.gz LORKWERFKRFUMO-INMHGKMJSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C(CC)CC)[C@@H]2C1 ZINC001221662304 816323970 /nfs/dbraw/zinc/32/39/70/816323970.db2.gz HFEIEOXKROEJDZ-USXIJHARSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC(C)(C)C(=O)N1C[C@H]2CC[N@H+](C[C@H](C)CC)C[C@H]21 ZINC001221838059 816329764 /nfs/dbraw/zinc/32/97/64/816329764.db2.gz QCOCTLLQVCUGRL-BZUAXINKSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(CC)CC)[C@@H]2C1 ZINC001222031587 816339169 /nfs/dbraw/zinc/33/91/69/816339169.db2.gz OBBPBEIPGZBYSW-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]2CC[N@H+](CCCC=C)[C@H]2C1 ZINC001223406009 816623938 /nfs/dbraw/zinc/62/39/38/816623938.db2.gz KRMSWLNRTZANHJ-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](CC(=C)C)[C@H]2C1 ZINC001223579654 816653304 /nfs/dbraw/zinc/65/33/04/816653304.db2.gz GNQHYYIFNFMOIY-CVEARBPZSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)CCC(C)(C)C)C[C@@H]21 ZINC001223716730 816670714 /nfs/dbraw/zinc/67/07/14/816670714.db2.gz MJYLRJJWXSNHNJ-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C[N@H+]1CCC[C@H](OCc2ccc(C#N)c3ccccc23)C1 ZINC001224024766 816723255 /nfs/dbraw/zinc/72/32/55/816723255.db2.gz LNSIJNNREYJHGK-INIZCTEOSA-N 1 1 280.371 3.322 20 30 CGEDMO CC#CCO[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001224357692 816785605 /nfs/dbraw/zinc/78/56/05/816785605.db2.gz TXNVAVVMKVASNJ-QGZVFWFLSA-N 1 1 271.404 3.327 20 30 CGEDMO C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1OC[C@@H]1CCC[N@H+]1C ZINC001224817774 816889536 /nfs/dbraw/zinc/88/95/36/816889536.db2.gz ZSFXABZYXXYLLS-VGWMRTNUSA-N 1 1 251.414 3.478 20 30 CGEDMO C#C[C@H](OC[C@@H]1CCC[N@H+]1C)[C@@H](CC)CCCC ZINC001224817243 816889766 /nfs/dbraw/zinc/88/97/66/816889766.db2.gz KDJPNYKMKSGVEC-JYJNAYRXSA-N 1 1 251.414 3.315 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OCC#CC1CC1 ZINC001224851307 816894186 /nfs/dbraw/zinc/89/41/86/816894186.db2.gz YLDMOBYQVYCCCD-QFBILLFUSA-N 1 1 283.415 3.327 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C)[C@@H](OCCC[NH+]2CCOCC2)C1 ZINC001224869083 816898296 /nfs/dbraw/zinc/89/82/96/816898296.db2.gz DIFYPMSHLZLSBB-SJORKVTESA-N 1 1 279.424 3.026 20 30 CGEDMO C=CCCC[C@@H](C)NC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001224913313 816908901 /nfs/dbraw/zinc/90/89/01/816908901.db2.gz BCZIVEUCKKECHB-CABCVRRESA-N 1 1 295.471 3.151 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H](Oc2ccc(CC#N)cc2)C1 ZINC001225264623 816985638 /nfs/dbraw/zinc/98/56/38/816985638.db2.gz AUIXVYXJVIOPAI-INIZCTEOSA-N 1 1 258.365 3.004 20 30 CGEDMO Cc1cc(O[C@@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)cc(C)c1C#N ZINC001226834018 817479220 /nfs/dbraw/zinc/47/92/20/817479220.db2.gz OXXWRTRODHVEBV-JLVBRIDZSA-N 1 1 284.403 3.284 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CCCCCC1 ZINC001231116065 818034482 /nfs/dbraw/zinc/03/44/82/818034482.db2.gz YOCVXGWQGNNEMP-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC=C ZINC001231170127 818050074 /nfs/dbraw/zinc/05/00/74/818050074.db2.gz NCANYZGLVUYNFX-MRXNPFEDSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CCCCCCC ZINC001231179320 818053511 /nfs/dbraw/zinc/05/35/11/818053511.db2.gz RNTYKNILABKSNC-INIZCTEOSA-N 1 1 280.456 3.456 20 30 CGEDMO C=C(C)C(=O)Nc1ccc(OC2C[NH+](C(C)(C)C)C2)cc1 ZINC001231314960 818074305 /nfs/dbraw/zinc/07/43/05/818074305.db2.gz JEAYPVMSOQIWPK-UHFFFAOYSA-N 1 1 288.391 3.063 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)c1 ZINC001231658970 818150366 /nfs/dbraw/zinc/15/03/66/818150366.db2.gz BZPVMZJJOUQNLG-LJQANCHMSA-N 1 1 277.367 3.321 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CCc3cc(OC)ccc3C2)c1 ZINC001231658258 818150704 /nfs/dbraw/zinc/15/07/04/818150704.db2.gz SSFSKDSTBFZZJK-UHFFFAOYSA-N 1 1 277.367 3.235 20 30 CGEDMO C#Cc1cccc(C[N@H+](C)Cc2ccccc2O)c1 ZINC001231660379 818151953 /nfs/dbraw/zinc/15/19/53/818151953.db2.gz FOTHJGVAUWJZIN-UHFFFAOYSA-N 1 1 251.329 3.006 20 30 CGEDMO C=CC[N@H+](Cc1cn(C)nc1C(F)(F)F)C(C)(C)C ZINC001232092235 818252451 /nfs/dbraw/zinc/25/24/51/818252451.db2.gz MDOBEGCADVAQQO-UHFFFAOYSA-N 1 1 275.318 3.225 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)c(Cl)c1)C[C@@H]1CCCCO1 ZINC001232114982 818259075 /nfs/dbraw/zinc/25/90/75/818259075.db2.gz BOTFCXDDHGYQMJ-AWEZNQCLSA-N 1 1 278.783 3.213 20 30 CGEDMO N#Cc1cccc(O[C@@H]2CCC[N@H+](Cc3ccns3)C2)c1 ZINC001232192463 818273683 /nfs/dbraw/zinc/27/36/83/818273683.db2.gz JCKUVKZEXVIOMB-OAHLLOKOSA-N 1 1 299.399 3.058 20 30 CGEDMO N#Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3ccns3)C2)c1 ZINC001232192463 818273689 /nfs/dbraw/zinc/27/36/89/818273689.db2.gz JCKUVKZEXVIOMB-OAHLLOKOSA-N 1 1 299.399 3.058 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(O)c2ncccc12 ZINC001232276364 818302866 /nfs/dbraw/zinc/30/28/66/818302866.db2.gz URIRMNHNRKPGLW-UHFFFAOYSA-N 1 1 256.349 3.338 20 30 CGEDMO C[N@H+](C/C=C/c1ccccc1)Cc1cc(C#N)ccn1 ZINC001232478208 818363991 /nfs/dbraw/zinc/36/39/91/818363991.db2.gz HWPLJGRWZACDDS-VMPITWQZSA-N 1 1 263.344 3.098 20 30 CGEDMO C[N@@H+](C/C=C/c1ccccc1)Cc1cc(C#N)ccn1 ZINC001232478208 818363994 /nfs/dbraw/zinc/36/39/94/818363994.db2.gz HWPLJGRWZACDDS-VMPITWQZSA-N 1 1 263.344 3.098 20 30 CGEDMO C#CC[NH+](CC#C)Cc1cc(C)c(Br)c(C)c1 ZINC001232525045 818379101 /nfs/dbraw/zinc/37/91/01/818379101.db2.gz XALUYQXVQJDCNS-UHFFFAOYSA-N 1 1 290.204 3.134 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1cccc(CF)n1 ZINC001232537120 818381372 /nfs/dbraw/zinc/38/13/72/818381372.db2.gz AMBVGSKLSWHQJH-UHFFFAOYSA-N 1 1 269.323 3.055 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(CF)n1 ZINC001232537120 818381374 /nfs/dbraw/zinc/38/13/74/818381374.db2.gz AMBVGSKLSWHQJH-UHFFFAOYSA-N 1 1 269.323 3.055 20 30 CGEDMO C=CCC[N@@H+](Cc1c[nH]c2ncncc12)Cc1ccccc1 ZINC001232657489 818412378 /nfs/dbraw/zinc/41/23/78/818412378.db2.gz VAXYILRMETWYQT-UHFFFAOYSA-N 1 1 292.386 3.488 20 30 CGEDMO Cc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)c(F)cc1F ZINC001232782491 818437762 /nfs/dbraw/zinc/43/77/62/818437762.db2.gz MGHIWIVSDKZYIZ-LBPRGKRZSA-N 1 1 264.319 3.399 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)c(F)cc1F ZINC001232782491 818437765 /nfs/dbraw/zinc/43/77/65/818437765.db2.gz MGHIWIVSDKZYIZ-LBPRGKRZSA-N 1 1 264.319 3.399 20 30 CGEDMO C[N@H+](Cc1ccc(Cl)cc1)Cc1cccc(C#N)n1 ZINC001232924517 818474285 /nfs/dbraw/zinc/47/42/85/818474285.db2.gz HJBYSPFTQBWOPZ-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO C[N@@H+](Cc1ccc(Cl)cc1)Cc1cccc(C#N)n1 ZINC001232924517 818474288 /nfs/dbraw/zinc/47/42/88/818474288.db2.gz HJBYSPFTQBWOPZ-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)n1 ZINC001232925799 818475790 /nfs/dbraw/zinc/47/57/90/818475790.db2.gz QMAWSEVTQGIYEZ-BBRMVZONSA-N 1 1 255.365 3.108 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cnc(OC)c3ccccc23)C1 ZINC001232951328 818480932 /nfs/dbraw/zinc/48/09/32/818480932.db2.gz GEGHMGBJDGOVED-CQSZACIVSA-N 1 1 280.371 3.089 20 30 CGEDMO COC[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(C#N)cc1C)C2 ZINC001233081297 818519346 /nfs/dbraw/zinc/51/93/46/818519346.db2.gz BWYRXKCCGJDDRA-MSOLQXFVSA-N 1 1 284.403 3.115 20 30 CGEDMO Cc1cc(C[N@H+](CCC#N)C2CCCC2)cnc1C ZINC001233164444 818532012 /nfs/dbraw/zinc/53/20/12/818532012.db2.gz VKGNFPOYJXCPEY-UHFFFAOYSA-N 1 1 257.381 3.357 20 30 CGEDMO Cc1cc(C[N@@H+](CCC#N)C2CCCC2)cnc1C ZINC001233164444 818532017 /nfs/dbraw/zinc/53/20/17/818532017.db2.gz VKGNFPOYJXCPEY-UHFFFAOYSA-N 1 1 257.381 3.357 20 30 CGEDMO Cc1ccc(C[N@H+](CCC#N)C2CCCC2)cc1O ZINC001233233969 818549100 /nfs/dbraw/zinc/54/91/00/818549100.db2.gz XTNYTLUNZGBWNB-UHFFFAOYSA-N 1 1 258.365 3.359 20 30 CGEDMO Cc1ccc(C[N@@H+](CCC#N)C2CCCC2)cc1O ZINC001233233969 818549107 /nfs/dbraw/zinc/54/91/07/818549107.db2.gz XTNYTLUNZGBWNB-UHFFFAOYSA-N 1 1 258.365 3.359 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cccc2c1CCO2 ZINC001233277825 818564262 /nfs/dbraw/zinc/56/42/62/818564262.db2.gz SNUIZRRJVYAOHT-UHFFFAOYSA-N 1 1 278.355 3.125 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1[O-])Cc1ccc(F)cc1F ZINC001233387164 818606354 /nfs/dbraw/zinc/60/63/54/818606354.db2.gz XJMUEHCZEGNYQE-UHFFFAOYSA-N 1 1 288.297 3.174 20 30 CGEDMO N#CCC[N@@H+](Cc1c[nH]c(Br)c1)C1CCCC1 ZINC001233436466 818618804 /nfs/dbraw/zinc/61/88/04/818618804.db2.gz MRDZHORGFTWRNK-UHFFFAOYSA-N 1 1 296.212 3.435 20 30 CGEDMO N#CCC[N@H+](Cc1c[nH]c(Br)c1)C1CCCC1 ZINC001233436466 818618808 /nfs/dbraw/zinc/61/88/08/818618808.db2.gz MRDZHORGFTWRNK-UHFFFAOYSA-N 1 1 296.212 3.435 20 30 CGEDMO Cc1cc(C[N@H+]2CCC3SC(=O)C=C3C2)sc1C ZINC001233666734 818674696 /nfs/dbraw/zinc/67/46/96/818674696.db2.gz XZCGUJAJMNCHKD-ZDUSSCGKSA-N 1 1 279.430 3.139 20 30 CGEDMO Cc1cc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)sc1C ZINC001233666734 818674701 /nfs/dbraw/zinc/67/47/01/818674701.db2.gz XZCGUJAJMNCHKD-ZDUSSCGKSA-N 1 1 279.430 3.139 20 30 CGEDMO Cc1cc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)sc1C ZINC001233666734 818674706 /nfs/dbraw/zinc/67/47/06/818674706.db2.gz XZCGUJAJMNCHKD-ZDUSSCGKSA-N 1 1 279.430 3.139 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)/C=C(/C)CC ZINC001234140371 818788311 /nfs/dbraw/zinc/78/83/11/818788311.db2.gz KSZJMGAUYUXGPP-YNLMUAPZSA-N 1 1 278.440 3.230 20 30 CGEDMO C#C[C@@H](CC(C)C)Oc1cccc2c1CC[N@@H+](C)C2 ZINC001234424446 818852130 /nfs/dbraw/zinc/85/21/30/818852130.db2.gz PXPKHBBFHRSLRF-HNNXBMFYSA-N 1 1 257.377 3.101 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc[nH]c1 ZINC001234437907 818855151 /nfs/dbraw/zinc/85/51/51/818855151.db2.gz YNLBAKIOPMSFOJ-MRXNPFEDSA-N 1 1 291.439 3.131 20 30 CGEDMO C=CC(C)(C)CC(=O)N(C)C[C@H]1CC[N@H+]1CC1CCCC1 ZINC001234537309 818876718 /nfs/dbraw/zinc/87/67/18/818876718.db2.gz MPCMLTLVOCPZJE-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC(C)(C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1CCC(C)C ZINC001234563448 818882534 /nfs/dbraw/zinc/88/25/34/818882534.db2.gz QIHGLCPQPNUWKN-HNNXBMFYSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccsc1 ZINC001234627110 818896483 /nfs/dbraw/zinc/89/64/83/818896483.db2.gz YUQDINRFLADLRM-HNNXBMFYSA-N 1 1 292.448 3.137 20 30 CGEDMO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccsc1 ZINC001234627110 818896487 /nfs/dbraw/zinc/89/64/87/818896487.db2.gz YUQDINRFLADLRM-HNNXBMFYSA-N 1 1 292.448 3.137 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)c(C(=O)OC)c1)C(C)(C)C ZINC001234966863 818968257 /nfs/dbraw/zinc/96/82/57/818968257.db2.gz HYQPNMJNGUQEFE-UHFFFAOYSA-N 1 1 291.391 3.268 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001235090692 818998290 /nfs/dbraw/zinc/99/82/90/818998290.db2.gz SGQTXSNOKPCKRD-CQSZACIVSA-N 1 1 274.399 3.278 20 30 CGEDMO CCCCCCC[N@@H+]1CC[C@]2(C1)CNCCC2(F)F ZINC001235090692 818998296 /nfs/dbraw/zinc/99/82/96/818998296.db2.gz SGQTXSNOKPCKRD-CQSZACIVSA-N 1 1 274.399 3.278 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@]2(C1)CNCCC2(F)F ZINC001235090692 818998300 /nfs/dbraw/zinc/99/83/00/818998300.db2.gz SGQTXSNOKPCKRD-CQSZACIVSA-N 1 1 274.399 3.278 20 30 CGEDMO C=CCCC(=O)NCCC[N@H+](C)[C@H](C)c1cccc(F)c1 ZINC001235464566 819105104 /nfs/dbraw/zinc/10/51/04/819105104.db2.gz LDQBXDFEAGLUCB-CQSZACIVSA-N 1 1 292.398 3.291 20 30 CGEDMO N#CCc1ccccc1C[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC001235523983 819113993 /nfs/dbraw/zinc/11/39/93/819113993.db2.gz XNBRBTMDDVRXDW-GOSISDBHSA-N 1 1 277.371 3.137 20 30 CGEDMO Cc1ccnc(C[N@@H+]2CCC[C@@H](C#N)CC2)c1Cl ZINC001235584983 819124417 /nfs/dbraw/zinc/12/44/17/819124417.db2.gz MMSSQNUVTXNJKN-GFCCVEGCSA-N 1 1 263.772 3.169 20 30 CGEDMO Cc1ccnc(C[N@H+]2CCC[C@@H](C#N)CC2)c1Cl ZINC001235584983 819124424 /nfs/dbraw/zinc/12/44/24/819124424.db2.gz MMSSQNUVTXNJKN-GFCCVEGCSA-N 1 1 263.772 3.169 20 30 CGEDMO N#Cc1cc(F)c(C[N@H+](CC2CC2)C2CC2)c(F)c1 ZINC001235659896 819130827 /nfs/dbraw/zinc/13/08/27/819130827.db2.gz BCQAPZIDKGDRHC-UHFFFAOYSA-N 1 1 262.303 3.211 20 30 CGEDMO N#Cc1cc(F)c(C[N@@H+](CC2CC2)C2CC2)c(F)c1 ZINC001235659896 819130830 /nfs/dbraw/zinc/13/08/30/819130830.db2.gz BCQAPZIDKGDRHC-UHFFFAOYSA-N 1 1 262.303 3.211 20 30 CGEDMO C=CCNCC[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC001235959400 819247146 /nfs/dbraw/zinc/24/71/46/819247146.db2.gz IZFIRGNUXLDAPX-QGZVFWFLSA-N 1 1 258.409 3.032 20 30 CGEDMO C=CCNCC[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC001235959400 819247152 /nfs/dbraw/zinc/24/71/52/819247152.db2.gz IZFIRGNUXLDAPX-QGZVFWFLSA-N 1 1 258.409 3.032 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2CCc3c(N)cccc3C2)c1O ZINC001236361782 819434490 /nfs/dbraw/zinc/43/44/90/819434490.db2.gz BKBMUWLRZHAKRN-UHFFFAOYSA-N 1 1 294.398 3.261 20 30 CGEDMO C=CC[N@H+](Cc1cc(OC)c(OC)cc1O)C(C)(C)C ZINC001236753103 819589471 /nfs/dbraw/zinc/58/94/71/819589471.db2.gz HBJRNUHVNIJZPE-UHFFFAOYSA-N 1 1 279.380 3.196 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(Br)c2)C1 ZINC001236858355 819625014 /nfs/dbraw/zinc/62/50/14/819625014.db2.gz VLULPWWSDNZUJO-SNVBAGLBSA-N 1 1 279.181 3.163 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(-n3cccn3)c(Cl)c2)C1 ZINC001236900507 819635389 /nfs/dbraw/zinc/63/53/89/819635389.db2.gz FKJWPWWUMBBCLU-CQSZACIVSA-N 1 1 299.805 3.371 20 30 CGEDMO C#CC[N@@H+](C)Cc1ccc(-c2cccc(C)c2C)nc1 ZINC001236995192 819642681 /nfs/dbraw/zinc/64/26/81/819642681.db2.gz XSGZFHWUXCGXGC-UHFFFAOYSA-N 1 1 264.372 3.430 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(-c2cccc(C)c2C)nc1 ZINC001236995192 819642684 /nfs/dbraw/zinc/64/26/84/819642684.db2.gz XSGZFHWUXCGXGC-UHFFFAOYSA-N 1 1 264.372 3.430 20 30 CGEDMO CCCCCCC[N@@H+](C)Cc1ccc(C(=O)OC)nc1 ZINC001237444956 819750865 /nfs/dbraw/zinc/75/08/65/819750865.db2.gz LAFWVXPQFYWHBU-UHFFFAOYSA-N 1 1 278.396 3.270 20 30 CGEDMO N#Cc1cc(C[N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c(F)cc1F ZINC001237528155 819772169 /nfs/dbraw/zinc/77/21/69/819772169.db2.gz RRAGLKIGUBYMLG-SKDRFNHKSA-N 1 1 298.283 3.314 20 30 CGEDMO N#Cc1cc(C[N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c(F)cc1F ZINC001237528155 819772172 /nfs/dbraw/zinc/77/21/72/819772172.db2.gz RRAGLKIGUBYMLG-SKDRFNHKSA-N 1 1 298.283 3.314 20 30 CGEDMO C[C@@H]1CCC[N@H+](Cc2cc(C#N)c(F)cc2F)C1 ZINC001237529163 819772234 /nfs/dbraw/zinc/77/22/34/819772234.db2.gz GTRPTFOUCLJCPX-SNVBAGLBSA-N 1 1 250.292 3.068 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2cc(C#N)c(F)cc2F)C1 ZINC001237529163 819772236 /nfs/dbraw/zinc/77/22/36/819772236.db2.gz GTRPTFOUCLJCPX-SNVBAGLBSA-N 1 1 250.292 3.068 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2cc(C#N)c(F)cc2F)C1 ZINC001237532849 819773961 /nfs/dbraw/zinc/77/39/61/819773961.db2.gz GVLWVJCTLJGIHG-PHIMTYICSA-N 1 1 264.319 3.314 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2cn3cc(C#N)ccc3n2)C[C@H]1C ZINC001237608307 819785390 /nfs/dbraw/zinc/78/53/90/819785390.db2.gz FVHSFOZCRNBYNB-ZIAGYGMSSA-N 1 1 282.391 3.074 20 30 CGEDMO Cc1coc(C[NH+]2CCC(C#Cc3ccccc3)CC2)n1 ZINC001237638244 819795952 /nfs/dbraw/zinc/79/59/52/819795952.db2.gz DLHXIBXPCYMVGP-UHFFFAOYSA-N 1 1 280.371 3.247 20 30 CGEDMO Cc1coc(C[NH+]2CCC(c3cccc(C#N)c3)CC2)n1 ZINC001237645315 819796565 /nfs/dbraw/zinc/79/65/65/819796565.db2.gz KNIBZZCGAJYUTJ-UHFFFAOYSA-N 1 1 281.359 3.234 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cccc2c1OCC2 ZINC001237754958 819837561 /nfs/dbraw/zinc/83/75/61/819837561.db2.gz OAGJVANIUVPUSW-UHFFFAOYSA-N 1 1 278.355 3.125 20 30 CGEDMO CSCC[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC001237755875 819838595 /nfs/dbraw/zinc/83/85/95/819838595.db2.gz UKLDLJYANPCWAI-UHFFFAOYSA-N 1 1 254.786 3.006 20 30 CGEDMO Cc1sccc1C[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001237964042 819895052 /nfs/dbraw/zinc/89/50/52/819895052.db2.gz CVMLXLGZJFZTAN-UHFFFAOYSA-N 1 1 268.385 3.487 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2csc(-c3ccc(O)cc3)n2)C1 ZINC001237983778 819902713 /nfs/dbraw/zinc/90/27/13/819902713.db2.gz QCONDFYNASPXON-ZDUSSCGKSA-N 1 1 298.411 3.361 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2csc(-c3ccc(O)cc3)n2)C1 ZINC001237983778 819902717 /nfs/dbraw/zinc/90/27/17/819902717.db2.gz QCONDFYNASPXON-ZDUSSCGKSA-N 1 1 298.411 3.361 20 30 CGEDMO CC(C)[N@@H+](C)[C@@H]1CCN(Cc2ccc(C#N)cc2Cl)C1 ZINC001238084860 819928012 /nfs/dbraw/zinc/92/80/12/819928012.db2.gz PSIBDTWGWZLLCP-OAHLLOKOSA-N 1 1 291.826 3.126 20 30 CGEDMO Cc1ccc(O)cc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001238099408 819933846 /nfs/dbraw/zinc/93/38/46/819933846.db2.gz PHWXZCRNZJZASO-UHFFFAOYSA-N 1 1 266.344 3.204 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238191141 819950935 /nfs/dbraw/zinc/95/09/35/819950935.db2.gz IXODWEPVSCCXOU-GFCCVEGCSA-N 1 1 258.752 3.057 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238191141 819950941 /nfs/dbraw/zinc/95/09/41/819950941.db2.gz IXODWEPVSCCXOU-GFCCVEGCSA-N 1 1 258.752 3.057 20 30 CGEDMO CCO[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238194953 819952092 /nfs/dbraw/zinc/95/20/92/819952092.db2.gz XYMARUSHUOUZSF-CQSZACIVSA-N 1 1 278.783 3.213 20 30 CGEDMO CCO[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238194953 819952094 /nfs/dbraw/zinc/95/20/94/819952094.db2.gz XYMARUSHUOUZSF-CQSZACIVSA-N 1 1 278.783 3.213 20 30 CGEDMO CC(C)[N@@H+](C)[C@@H]1CCN(Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238199664 819955206 /nfs/dbraw/zinc/95/52/06/819955206.db2.gz XIUISMHOZOZFOR-OAHLLOKOSA-N 1 1 291.826 3.126 20 30 CGEDMO CCC[N@H+](CCCN(C)C)Cc1ccc(Cl)c(C#N)c1 ZINC001238199341 819955326 /nfs/dbraw/zinc/95/53/26/819955326.db2.gz RRAWLQLSLJIADH-UHFFFAOYSA-N 1 1 293.842 3.375 20 30 CGEDMO CCC[N@@H+](CCCN(C)C)Cc1ccc(Cl)c(C#N)c1 ZINC001238199341 819955330 /nfs/dbraw/zinc/95/53/30/819955330.db2.gz RRAWLQLSLJIADH-UHFFFAOYSA-N 1 1 293.842 3.375 20 30 CGEDMO COc1cc(C)cc(F)c1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001238589850 820051801 /nfs/dbraw/zinc/05/18/01/820051801.db2.gz BMIITFAFZBYILG-ZSOGYDGISA-N 1 1 288.366 3.409 20 30 CGEDMO COc1cc(C)cc(F)c1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001238589850 820051813 /nfs/dbraw/zinc/05/18/13/820051813.db2.gz BMIITFAFZBYILG-ZSOGYDGISA-N 1 1 288.366 3.409 20 30 CGEDMO CSc1ncc(C)cc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001238715575 820100366 /nfs/dbraw/zinc/10/03/66/820100366.db2.gz BWQVZVJRAQLRKS-ZDUSSCGKSA-N 1 1 275.421 3.238 20 30 CGEDMO N#Cc1c(F)cncc1C1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001240387476 821013012 /nfs/dbraw/zinc/01/30/12/821013012.db2.gz RVYPSTRPDZKSJZ-UHFFFAOYSA-N 1 1 293.345 3.382 20 30 CGEDMO N#CCc1ccccc1-c1ccc(C[NH+]2CCOCC2)cc1 ZINC001240476416 821080378 /nfs/dbraw/zinc/08/03/78/821080378.db2.gz RLAYVNDUALQSQF-UHFFFAOYSA-N 1 1 292.382 3.252 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1-c1ccc(F)cc1CC#N ZINC001241248565 821669709 /nfs/dbraw/zinc/66/97/09/821669709.db2.gz QGOKEJGMVMAXRV-UHFFFAOYSA-N 1 1 269.323 3.328 20 30 CGEDMO COc1cc(C#N)ccc1-c1[nH+]ccc2c1ccn2C ZINC001241387932 821788070 /nfs/dbraw/zinc/78/80/70/821788070.db2.gz MZQFDVQCEZOCKD-UHFFFAOYSA-N 1 1 263.300 3.121 20 30 CGEDMO C=CC[C@@H]([NH2+][C@@H]1CCCC(C)(C)C1)C(=O)OCC ZINC001339095782 936349760 /nfs/dbraw/zinc/34/97/60/936349760.db2.gz SFAWTYZYPLTJSV-CHWSQXEVSA-N 1 1 253.386 3.053 20 30 CGEDMO CS[C@@H]1CC[C@H]([N@@H+](C)Cc2csc(C#N)c2)C1 ZINC001335421066 936144839 /nfs/dbraw/zinc/14/48/39/936144839.db2.gz KVCAFQZDAKTKTE-NWDGAFQWSA-N 1 1 266.435 3.336 20 30 CGEDMO C=C[C@H](COC)[NH2+]Cc1csc(-c2ccsc2)n1 ZINC001342734584 936477102 /nfs/dbraw/zinc/47/71/02/936477102.db2.gz ZTQQQGDQTMWLEC-LLVKDONJSA-N 1 1 280.418 3.162 20 30 CGEDMO C=C(CC)C(=O)Nc1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC001347607668 936889217 /nfs/dbraw/zinc/88/92/17/936889217.db2.gz CWNCLRRWZPNEGH-UHFFFAOYSA-N 1 1 269.348 3.394 20 30 CGEDMO COc1cc(C[NH2+]CC2(C#N)CCCC2)ccc1F ZINC001349564732 936952975 /nfs/dbraw/zinc/95/29/75/936952975.db2.gz TUOOTLBJPHRLSM-UHFFFAOYSA-N 1 1 262.328 3.008 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C#N)cc1 ZINC001350859986 937001804 /nfs/dbraw/zinc/00/18/04/937001804.db2.gz YHCMRBGXPKXXTG-FRFSOERESA-N 1 1 297.402 3.159 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H](C[N@H+](C)CC2CC(C)C2)C1 ZINC001480073151 937005828 /nfs/dbraw/zinc/00/58/28/937005828.db2.gz QVGIXVHQSZWLDP-AQFXKWCLSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)CC ZINC001480322746 937046087 /nfs/dbraw/zinc/04/60/87/937046087.db2.gz DOBXAZKLXFVLFV-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO Cc1nc(C[NH2+][C@@H](C)c2cccc(C#N)c2)c(C)s1 ZINC001353043306 937056305 /nfs/dbraw/zinc/05/63/05/937056305.db2.gz IYWZVPMKDWCCAJ-JTQLQIEISA-N 1 1 271.389 3.482 20 30 CGEDMO C=C(C)CCC(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC001353540597 937068695 /nfs/dbraw/zinc/06/86/95/937068695.db2.gz HVMMXUPKISHAOZ-UHFFFAOYSA-N 1 1 274.408 3.111 20 30 CGEDMO C=CCCC[N@@H+](CC)CCCNC(=O)OC(C)(C)C ZINC001473861526 937825787 /nfs/dbraw/zinc/82/57/87/937825787.db2.gz ANZSUHGMNMAISG-UHFFFAOYSA-N 1 1 270.417 3.189 20 30 CGEDMO COC(=O)[C@H]1CCCCC[N@H+]1CCCCC1(C#N)CCC1 ZINC001354572630 937106538 /nfs/dbraw/zinc/10/65/38/937106538.db2.gz QVCVCPIINMHRFC-OAHLLOKOSA-N 1 1 292.423 3.268 20 30 CGEDMO C=C(C)C[N@H+](C)CCNC(=O)C[C@@H](C)c1ccccc1C ZINC001480920156 926792842 /nfs/dbraw/zinc/79/28/42/926792842.db2.gz ICWZTTAMEYDOCZ-MRXNPFEDSA-N 1 1 288.435 3.113 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)C2(CCC)CC2)C1 ZINC001481109493 926887321 /nfs/dbraw/zinc/88/73/21/926887321.db2.gz BEIIFNAXNPFELZ-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)C2(C)CCCCC2)C1 ZINC001481109808 926887872 /nfs/dbraw/zinc/88/78/72/926887872.db2.gz VCPKNWGGBNMXGL-AWEZNQCLSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)C2(C)CCCCC2)C1 ZINC001481109808 926887882 /nfs/dbraw/zinc/88/78/82/926887882.db2.gz VCPKNWGGBNMXGL-AWEZNQCLSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)C2(CC)CCCC2)C1 ZINC001481117492 926889392 /nfs/dbraw/zinc/88/93/92/926889392.db2.gz VFBGDADRPGOWQV-AWEZNQCLSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)C2(CC)CCCC2)C1 ZINC001481117492 926889403 /nfs/dbraw/zinc/88/94/03/926889403.db2.gz VFBGDADRPGOWQV-AWEZNQCLSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001481119340 926890756 /nfs/dbraw/zinc/89/07/56/926890756.db2.gz UFAPYODWQAMQMQ-HOTGVXAUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC[N@H+](CCNC(=O)[C@@H](C)CC1CCCCC1)C1CC1 ZINC001481186898 926903784 /nfs/dbraw/zinc/90/37/84/926903784.db2.gz BOZSROPOQXAVJA-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)CCC(C)C)C1 ZINC001481388036 926971741 /nfs/dbraw/zinc/97/17/41/926971741.db2.gz AGHAVRREZCWWEK-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CCC(=O)N(CCC)[C@H]1CC[N@H+](CCCC)C1 ZINC001481399831 926977746 /nfs/dbraw/zinc/97/77/46/926977746.db2.gz GYARXFHNRCARCW-INIZCTEOSA-N 1 1 280.456 3.456 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001481448595 926988548 /nfs/dbraw/zinc/98/85/48/926988548.db2.gz ZJTGNTHZUAQZCC-HOTGVXAUSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)CCCCC)C1 ZINC001481477303 926996546 /nfs/dbraw/zinc/99/65/46/926996546.db2.gz PQAPJJPVHYFWQN-MRXNPFEDSA-N 1 1 280.456 3.313 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H](C[N@H+](C)C[C@H](C)CC)C1 ZINC001481488393 927001421 /nfs/dbraw/zinc/00/14/21/927001421.db2.gz RUGRUYNUNCJIPW-HZPDHXFCSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(C=C)cc2)C1 ZINC001481499260 927003363 /nfs/dbraw/zinc/00/33/63/927003363.db2.gz UVVISPQAAQGBBP-QGZVFWFLSA-N 1 1 298.430 3.300 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC(C[N@@H+](C)CCCF)CC1 ZINC001481518056 927011128 /nfs/dbraw/zinc/01/11/28/927011128.db2.gz FULUBLZZTCDOCA-KRWDZBQOSA-N 1 1 298.446 3.119 20 30 CGEDMO C=CCC[N@H+](C)CC1CCN(C(=O)C2(CCC)CC2)CC1 ZINC001481518183 927012053 /nfs/dbraw/zinc/01/20/53/927012053.db2.gz JZQLZEMBPLUANK-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC(C)C ZINC001481663366 927051763 /nfs/dbraw/zinc/05/17/63/927051763.db2.gz GBNGLSYZEFAIBO-JYJNAYRXSA-N 1 1 278.440 3.062 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)CC)C1 ZINC001481705232 927065908 /nfs/dbraw/zinc/06/59/08/927065908.db2.gz KKEWUHPYTVVYEI-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)CC2CCCCC2)C1 ZINC001481709167 927066698 /nfs/dbraw/zinc/06/66/98/927066698.db2.gz VWKYDGSICLKBJG-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C(C)(C)CCC)C1 ZINC001481705279 927067894 /nfs/dbraw/zinc/06/78/94/927067894.db2.gz QGBRNWMOTNCQFD-HUUCEWRRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(C)o2)C1 ZINC001481756817 927081040 /nfs/dbraw/zinc/08/10/40/927081040.db2.gz OAZWHZBGZPFNHX-HNNXBMFYSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)/C=C/C(C)(C)C)C1 ZINC001481761961 927083049 /nfs/dbraw/zinc/08/30/49/927083049.db2.gz POJUNYCKYGCTSV-KXKDPZRNSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCCC)CC[C@@H]21 ZINC001482658600 927341547 /nfs/dbraw/zinc/34/15/47/927341547.db2.gz URZQRZQCGCSRNA-SJORKVTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2CN(C(=O)CC(CC)CC)CC[C@@H]21 ZINC001482668163 927346899 /nfs/dbraw/zinc/34/68/99/927346899.db2.gz VFJKGGLGUUFYNM-IRXDYDNUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)CC(C)(C)CC ZINC001483343276 927486425 /nfs/dbraw/zinc/48/64/25/927486425.db2.gz XPARALQKHDGHEL-CQSZACIVSA-N 1 1 268.445 3.215 20 30 CGEDMO CC#CCCCC(=O)N[C@@H](C)C[N@@H+](C)CCC1CCCC1 ZINC001483373504 927489888 /nfs/dbraw/zinc/48/98/88/927489888.db2.gz CJENOTGHAYZNDK-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H](C)C[N@@H+](C)CCC2CCCC2)C1 ZINC001483384184 927492907 /nfs/dbraw/zinc/49/29/07/927492907.db2.gz NRDPEWPNTHIGDJ-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC(C)(C)C1 ZINC001483383685 927494134 /nfs/dbraw/zinc/49/41/34/927494134.db2.gz LZAXEADZXBLHQR-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H](F)c1ccccc1 ZINC001483391043 927495833 /nfs/dbraw/zinc/49/58/33/927495833.db2.gz MHXRZIDNIPQEML-HOCLYGCPSA-N 1 1 292.398 3.100 20 30 CGEDMO C=CCCCC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1C ZINC001483675568 927566564 /nfs/dbraw/zinc/56/65/64/927566564.db2.gz FSCCJKZOYXFWCL-KRWDZBQOSA-N 1 1 286.419 3.042 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](CC)CC1CCCC1 ZINC001483692927 927578858 /nfs/dbraw/zinc/57/88/58/927578858.db2.gz BOWGURDSGCRVGR-DLBZAZTESA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)CC(C)(C)C ZINC001483703976 927581365 /nfs/dbraw/zinc/58/13/65/927581365.db2.gz BRLNZURFSGIVCU-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)C(C)(C)CC(C)(C)C ZINC001483703976 927581374 /nfs/dbraw/zinc/58/13/74/927581374.db2.gz BRLNZURFSGIVCU-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCCC(=O)N1CCCC[C@H]1[C@H]1CC[N@H+](CCC)C1 ZINC001483801683 927625518 /nfs/dbraw/zinc/62/55/18/927625518.db2.gz KWHCNFZOJFLONH-IRXDYDNUSA-N 1 1 292.467 3.456 20 30 CGEDMO C#CCC[N@H+](CCNC(=O)/C(C)=C/C)C1CCCCCC1 ZINC001483813974 927628029 /nfs/dbraw/zinc/62/80/29/927628029.db2.gz BFZHTMCCTQRKKE-FZSIALSZSA-N 1 1 290.451 3.117 20 30 CGEDMO CCCCCCC[NH+]1CC(N(C)C(=O)c2ccsc2)C1 ZINC001483853636 927637571 /nfs/dbraw/zinc/63/75/71/927637571.db2.gz XMDKMKOJADEDTD-UHFFFAOYSA-N 1 1 294.464 3.475 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)CC2=CCCCC2)C1 ZINC001484037804 927663684 /nfs/dbraw/zinc/66/36/84/927663684.db2.gz PKEMHCDWNDRZCA-KRWDZBQOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001484052476 927667670 /nfs/dbraw/zinc/66/76/70/927667670.db2.gz MLAVNUSNNVLNPM-RKVPGOIHSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)CC(C)C)C1 ZINC001484151290 927683534 /nfs/dbraw/zinc/68/35/34/927683534.db2.gz VMBXNUKMINTDEL-OAHLLOKOSA-N 1 1 286.847 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)CC(C)C)C1 ZINC001484151290 927683554 /nfs/dbraw/zinc/68/35/54/927683554.db2.gz VMBXNUKMINTDEL-OAHLLOKOSA-N 1 1 286.847 3.003 20 30 CGEDMO C=CCCC[N@H+]1C[C@H]2CN(C(=O)C(C)(C)CCC)C[C@H]2C1 ZINC001484412662 927703372 /nfs/dbraw/zinc/70/33/72/927703372.db2.gz SKDXBONNTNZMRM-IYBDPMFKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H](C)CC(C)C ZINC001484466824 927709581 /nfs/dbraw/zinc/70/95/81/927709581.db2.gz XBNTWKWNYIVYIK-GVDBMIGSSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)C1(C)CC1 ZINC001484553443 927720323 /nfs/dbraw/zinc/72/03/23/927720323.db2.gz FCVVYCHQHDAIKI-UHFFFAOYSA-N 1 1 286.419 3.111 20 30 CGEDMO C#CCC[N@H+](C)CCCN(C)C(=O)[C@@]1(C)CCC[C@@H]1CC ZINC001484747047 927748846 /nfs/dbraw/zinc/74/88/46/927748846.db2.gz LPKJZDLPTVIGML-WMZOPIPTSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@]2(CC[N@H+](CCC)C2)C1 ZINC001484829698 927760209 /nfs/dbraw/zinc/76/02/09/927760209.db2.gz IKRUZRGLAXLPJC-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)C1=CCCC1 ZINC001485053816 927795293 /nfs/dbraw/zinc/79/52/93/927795293.db2.gz DENSDJSMSUDLCO-DOTOQJQBSA-N 1 1 290.451 3.374 20 30 CGEDMO CC#CC[N@@H+](C)[C@@H](C)CNC(=O)C1(CC(C)C)CCCC1 ZINC001485367477 927854784 /nfs/dbraw/zinc/85/47/84/927854784.db2.gz ZQSLBJWXGXHGQO-INIZCTEOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCN(C)CC[N@@H+](CC)CCO[C@@H]1CCCC[C@@H]1C ZINC001473432483 937199104 /nfs/dbraw/zinc/19/91/04/937199104.db2.gz UBQGSKANDLUALG-DLBZAZTESA-N 1 1 282.472 3.021 20 30 CGEDMO C=CC[N@@H+](C)CCN(CC)CCO[C@@H]1CCCC[C@@H]1C ZINC001473432483 937199107 /nfs/dbraw/zinc/19/91/07/937199107.db2.gz UBQGSKANDLUALG-DLBZAZTESA-N 1 1 282.472 3.021 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)CCO[C@@H]1CCCC[C@@H]1C ZINC001473432483 937199110 /nfs/dbraw/zinc/19/91/10/937199110.db2.gz UBQGSKANDLUALG-DLBZAZTESA-N 1 1 282.472 3.021 20 30 CGEDMO C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C)CCCC ZINC001485477310 927877210 /nfs/dbraw/zinc/87/72/10/927877210.db2.gz RPQGCBRXFDDQGX-IRXDYDNUSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](C)CC ZINC001485474085 927877238 /nfs/dbraw/zinc/87/72/38/927877238.db2.gz LKGZNVWTKMSLAG-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H](NC(=O)C2CCC2)C(C)(C)C1 ZINC001485557909 927886554 /nfs/dbraw/zinc/88/65/54/927886554.db2.gz KLXMNEVARVPIHH-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2CCCC2)C(C)(C)C1 ZINC001485559548 927886740 /nfs/dbraw/zinc/88/67/40/927886740.db2.gz YTVXHYAGMDKMGX-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCC2(CN(C(=O)CCC)C2)C1 ZINC001485657808 927897120 /nfs/dbraw/zinc/89/71/20/927897120.db2.gz NYIQXSWIERQGLB-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCCC(=O)N1CCC([N@@H+](C)CCCC2CCC2)CC1 ZINC001485754520 927912429 /nfs/dbraw/zinc/91/24/29/927912429.db2.gz HJNIFMJVQKSFNN-UHFFFAOYSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@]2(NC(=O)CCC(=C)C)CCC[C@@H]12 ZINC001486149816 927989143 /nfs/dbraw/zinc/98/91/43/927989143.db2.gz WKYGRGGLUTWGLZ-AEFFLSMTSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C2(C3CC3)CC2)[C@H]1C ZINC001486176898 927997096 /nfs/dbraw/zinc/99/70/96/927997096.db2.gz MADMKBOUJQXXHG-GDBMZVCRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)CCC(=O)N(CC[N@H+](C)C/C=C/Cl)C(C)C ZINC001486369377 928009233 /nfs/dbraw/zinc/00/92/33/928009233.db2.gz FGYFYWMCSDXKEJ-RMKNXTFCSA-N 1 1 286.847 3.264 20 30 CGEDMO C=C(C)CCC(=O)N(CC[N@@H+](C)C/C=C/Cl)C(C)C ZINC001486369377 928009248 /nfs/dbraw/zinc/00/92/48/928009248.db2.gz FGYFYWMCSDXKEJ-RMKNXTFCSA-N 1 1 286.847 3.264 20 30 CGEDMO C=C(C)CCC(=O)N(CC[N@H+](C)C/C=C\Cl)C(C)C ZINC001486369378 928010181 /nfs/dbraw/zinc/01/01/81/928010181.db2.gz FGYFYWMCSDXKEJ-TWGQIWQCSA-N 1 1 286.847 3.264 20 30 CGEDMO C=C(C)CCC(=O)N(CC[N@@H+](C)C/C=C\Cl)C(C)C ZINC001486369378 928010192 /nfs/dbraw/zinc/01/01/92/928010192.db2.gz FGYFYWMCSDXKEJ-TWGQIWQCSA-N 1 1 286.847 3.264 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C(=O)[C@H]1C[C@H]2C[C@H]2C1)C(C)C ZINC001486373760 928014340 /nfs/dbraw/zinc/01/43/40/928014340.db2.gz BRINITFISKPZFI-FVQHAEBGSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCC[N@H+](CC)C[C@H]1CCCC[C@H]1C(=O)OC ZINC001560204468 937212018 /nfs/dbraw/zinc/21/20/18/937212018.db2.gz MJXPZUFLMSBLJC-HUUCEWRRSA-N 1 1 267.413 3.254 20 30 CGEDMO C=C[C@H](CC)CC(=O)NCC1=CC[N@@H+](C[C@@H](F)CC)CC1 ZINC001486512787 928029615 /nfs/dbraw/zinc/02/96/15/928029615.db2.gz ALKPRDSTOGQAOH-ZBFHGGJFSA-N 1 1 296.430 3.085 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCCC(F)(F)[C@H](F)C2)cc1 ZINC001144568591 928198772 /nfs/dbraw/zinc/19/87/72/928198772.db2.gz ZCYMHLOBWDZYPC-CQSZACIVSA-N 1 1 267.294 3.237 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCCC(F)(F)[C@H](F)C2)cc1 ZINC001144568591 928198782 /nfs/dbraw/zinc/19/87/82/928198782.db2.gz ZCYMHLOBWDZYPC-CQSZACIVSA-N 1 1 267.294 3.237 20 30 CGEDMO C[N@H+](Cc1ccsc1)Cc1cc(F)cc(C#N)c1 ZINC000163547203 928265318 /nfs/dbraw/zinc/26/53/18/928265318.db2.gz KRRIZZYPCNBHIG-UHFFFAOYSA-N 1 1 260.337 3.391 20 30 CGEDMO C[N@@H+](Cc1ccsc1)Cc1cc(F)cc(C#N)c1 ZINC000163547203 928265334 /nfs/dbraw/zinc/26/53/34/928265334.db2.gz KRRIZZYPCNBHIG-UHFFFAOYSA-N 1 1 260.337 3.391 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)CC2CCCC2)C1 ZINC001494880181 928274383 /nfs/dbraw/zinc/27/43/83/928274383.db2.gz YZWRZAKCOULBQT-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H]1CCCCC1(C)C ZINC001488705134 928296774 /nfs/dbraw/zinc/29/67/74/928296774.db2.gz ZXQJQDRNKCROBR-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)CC[C@H](C)CC)C1 ZINC001480739130 937235870 /nfs/dbraw/zinc/23/58/70/937235870.db2.gz NKZOZAKPHMQWKW-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CC[N@@H+](CC(=C)C)[C@@H]1CC ZINC001489116560 928313705 /nfs/dbraw/zinc/31/37/05/928313705.db2.gz PVQWNCGLVNSXJC-DLBZAZTESA-N 1 1 290.451 3.300 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@H]([N@H+](C)C[C@H](C)CC)C1 ZINC001480731484 937236121 /nfs/dbraw/zinc/23/61/21/937236121.db2.gz VTCQFIANKKHVBX-CABCVRRESA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)CCC)C[C@@H]2C1 ZINC001489180162 928318238 /nfs/dbraw/zinc/31/82/38/928318238.db2.gz AAVPDEAMLAALOI-BBWFWOEESA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CC[N@H+](C[C@H](F)CC)[C@@H]1C ZINC001489267213 928321392 /nfs/dbraw/zinc/32/13/92/928321392.db2.gz AEKOXNYNQMGSJL-BMFZPTHFSA-N 1 1 296.430 3.082 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)CC1CCCCC1 ZINC001493143204 928325091 /nfs/dbraw/zinc/32/50/91/928325091.db2.gz TUKSRSWXRMTILK-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)CC)CC(C)(C)C1 ZINC001489340850 928327506 /nfs/dbraw/zinc/32/75/06/928327506.db2.gz URKZIORDZSUCQP-GJZGRUSLSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CC1=CCCCC1 ZINC001489320364 928329160 /nfs/dbraw/zinc/32/91/60/928329160.db2.gz YTIFGARZLZFZTB-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCNC(=O)CC1(C)CCCC1 ZINC001490188160 928335596 /nfs/dbraw/zinc/33/55/96/928335596.db2.gz VTJQICJDJBWGBB-UHFFFAOYSA-N 1 1 286.847 3.147 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCNC(=O)CC1(C)CCCC1 ZINC001490188160 928335607 /nfs/dbraw/zinc/33/56/07/928335607.db2.gz VTJQICJDJBWGBB-UHFFFAOYSA-N 1 1 286.847 3.147 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)[C@H](F)c1ccccc1 ZINC001490350196 928343285 /nfs/dbraw/zinc/34/32/85/928343285.db2.gz PKMCYQYOSAROPJ-MRXNPFEDSA-N 1 1 292.398 3.102 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CCC[N@H+](CC(CC)CC)C1 ZINC001490438491 928359350 /nfs/dbraw/zinc/35/93/50/928359350.db2.gz PTFCSGXVXBGVBQ-MRXNPFEDSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001490547819 928367120 /nfs/dbraw/zinc/36/71/20/928367120.db2.gz HEJQKSYRFSBXHT-DOTOQJQBSA-N 1 1 286.419 3.294 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C(CC)(CC)CC)C1 ZINC001490566348 928371591 /nfs/dbraw/zinc/37/15/91/928371591.db2.gz KHPATUHTLHEUFZ-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)CCCC)C1 ZINC001490523410 928371663 /nfs/dbraw/zinc/37/16/63/928371663.db2.gz VVFSABFCYNBPNA-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H](C[N@H+](C)CCCC)C1 ZINC001490773071 928385534 /nfs/dbraw/zinc/38/55/34/928385534.db2.gz WXZGBUANZWJQPV-MRXNPFEDSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C)CCCC)C1 ZINC001490757563 928386115 /nfs/dbraw/zinc/38/61/15/928386115.db2.gz AOADIMBSOVVHNN-JKSUJKDBSA-N 1 1 280.456 3.169 20 30 CGEDMO C#CCOCC[N@H+](C)[C@@H](C)c1cccc(Br)c1 ZINC001323094339 928517357 /nfs/dbraw/zinc/51/73/57/928517357.db2.gz VXOZBFCRFLPLIU-LBPRGKRZSA-N 1 1 296.208 3.092 20 30 CGEDMO C=CC(C)(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC001490969089 928822119 /nfs/dbraw/zinc/82/21/19/928822119.db2.gz HAMAMGTZROJPQT-GOOCMWNKSA-N 1 1 278.440 3.109 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCC(C)C)C1 ZINC001490980845 928823082 /nfs/dbraw/zinc/82/30/82/928823082.db2.gz MAQQUBVCJBYMEI-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)C(CC)CC ZINC001491213876 928843820 /nfs/dbraw/zinc/84/38/20/928843820.db2.gz LACQHTCUCADWBL-RDJZCZTQSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H]1CCCC[N@@H+]1CCC(=C)C ZINC001491219775 928845755 /nfs/dbraw/zinc/84/57/55/928845755.db2.gz YFOLVLBTXBFNOO-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CC(C)(C)C)C1 ZINC001491285871 928854364 /nfs/dbraw/zinc/85/43/64/928854364.db2.gz XIJAMZBKBYDAJR-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2=CCCC2)C1 ZINC001491290855 928854952 /nfs/dbraw/zinc/85/49/52/928854952.db2.gz UKFKSENWTBPITL-DOTOQJQBSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C[C@H](OC(=O)[C@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001437643911 937296643 /nfs/dbraw/zinc/29/66/43/937296643.db2.gz WRPHLKNVRRVLJA-CVEARBPZSA-N 1 1 273.376 3.330 20 30 CGEDMO C=C[C@@H](OC(=O)[C@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001437643917 937296666 /nfs/dbraw/zinc/29/66/66/937296666.db2.gz WRPHLKNVRRVLJA-HZPDHXFCSA-N 1 1 273.376 3.330 20 30 CGEDMO C=CCN(CC1CCCCC1)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001443928479 937349137 /nfs/dbraw/zinc/34/91/37/937349137.db2.gz BBGXUSVDIWVYCG-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO COc1ccc(CCC[N@@H+](C)Cc2cc(C#N)ccn2)cc1 ZINC001459352823 937485801 /nfs/dbraw/zinc/48/58/01/937485801.db2.gz QISFTYJCWUSEPV-UHFFFAOYSA-N 1 1 295.386 3.026 20 30 CGEDMO C[C@@H](C#N)C[N@H+](C)C[C@@H]1CCC2(CCCCCC2)O1 ZINC001459410075 937487679 /nfs/dbraw/zinc/48/76/79/937487679.db2.gz DUWVIZPHGWOHBF-GJZGRUSLSA-N 1 1 264.413 3.350 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C)C[C@@H]1CCC2(CCCCCC2)O1 ZINC001459410075 937487681 /nfs/dbraw/zinc/48/76/81/937487681.db2.gz DUWVIZPHGWOHBF-GJZGRUSLSA-N 1 1 264.413 3.350 20 30 CGEDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cc(C#N)ccn1 ZINC001459522919 937489955 /nfs/dbraw/zinc/48/99/55/937489955.db2.gz RIRICLJDPSZZAH-XPKDYRNWSA-N 1 1 255.365 3.106 20 30 CGEDMO C=C(C)C[N@@H+]1CCN(c2ccc(C)c(C)c2)C[C@@H]1C ZINC001459605581 937493553 /nfs/dbraw/zinc/49/35/53/937493553.db2.gz CAHVLDZEDBXRKP-INIZCTEOSA-N 1 1 258.409 3.390 20 30 CGEDMO N#Cc1cccc([C@@H](O)C[N@H+]2CC[C@@H]2c2cccc(F)c2)c1 ZINC001459609180 937493580 /nfs/dbraw/zinc/49/35/80/937493580.db2.gz LDSQZSCASQZJGN-MSOLQXFVSA-N 1 1 296.345 3.178 20 30 CGEDMO N#Cc1ccnc(C[N@H+]2CCCC23CCCCC3)c1 ZINC001459774705 937499535 /nfs/dbraw/zinc/49/95/35/937499535.db2.gz JVSMHGFWJSIVHP-UHFFFAOYSA-N 1 1 255.365 3.252 20 30 CGEDMO C#CCCCCCC[N@H+]1CCOc2cc(OC)ccc2C1 ZINC001460011062 937511253 /nfs/dbraw/zinc/51/12/53/937511253.db2.gz INNKWURMNRCTNO-UHFFFAOYSA-N 1 1 287.403 3.473 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC001460052218 937513281 /nfs/dbraw/zinc/51/32/81/937513281.db2.gz LARVWINPOVYMGI-AWEZNQCLSA-N 1 1 278.371 3.420 20 30 CGEDMO CC#CC[N@@H+]1C[C@H](C)CC[C@H]1c1ccccc1OC ZINC001460086552 937514801 /nfs/dbraw/zinc/51/48/01/937514801.db2.gz VDRCDTDZPAFYIT-ZBFHGGJFSA-N 1 1 257.377 3.492 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCC=C(c3ccccc3)C2)c1 ZINC001460086306 937514977 /nfs/dbraw/zinc/51/49/77/937514977.db2.gz TXPHSGWLIMVILC-UHFFFAOYSA-N 1 1 275.355 3.243 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cccc2c1OC(F)(F)O2 ZINC001460476515 937532100 /nfs/dbraw/zinc/53/21/00/937532100.db2.gz NVEMCWZVGNBWSD-UHFFFAOYSA-N 1 1 255.264 3.016 20 30 CGEDMO C#CC[N@@H+](C[C@@H]1CC2(CO1)CCCCC2)C(C)(C)C ZINC001460807026 937546161 /nfs/dbraw/zinc/54/61/61/937546161.db2.gz LHLMSCWWUNZEPG-HNNXBMFYSA-N 1 1 263.425 3.460 20 30 CGEDMO C#CC[C@H]1CC[N@H+](CCOc2ccc(F)c(Cl)c2)C1 ZINC001460759229 937543761 /nfs/dbraw/zinc/54/37/61/937543761.db2.gz MFRNBBQWGZNNMT-LBPRGKRZSA-N 1 1 281.758 3.203 20 30 CGEDMO C[N@@H+](CCC1CC1)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140115494 931956218 /nfs/dbraw/zinc/95/62/18/931956218.db2.gz CVDQQNVPHAMDQV-UHFFFAOYSA-N 1 1 253.349 3.271 20 30 CGEDMO CC[N@@H+](CCCC#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001460984754 937558074 /nfs/dbraw/zinc/55/80/74/937558074.db2.gz DDGKRVQKZFVIIB-CQSZACIVSA-N 1 1 295.427 3.012 20 30 CGEDMO C=CCC1(C(=O)NC2CC[NH+](CC(=C)Cl)CC2)CCC1 ZINC001229030465 932075542 /nfs/dbraw/zinc/07/55/42/932075542.db2.gz NUHUOZGWOITTJY-UHFFFAOYSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)c(Cn2cccn2)c1)C(C)C ZINC001461890326 937604713 /nfs/dbraw/zinc/60/47/13/937604713.db2.gz ZIKOCKLXBCPVRS-UHFFFAOYSA-N 1 1 299.418 3.336 20 30 CGEDMO C[C@H](Oc1ccc2[nH+]c(N)[nH]c2c1)c1ccccc1C#N ZINC001230517976 932583157 /nfs/dbraw/zinc/58/31/57/932583157.db2.gz JXTMMMOKTUHWME-JTQLQIEISA-N 1 1 278.315 3.157 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCC(=C)C)CC1 ZINC001230571411 932591051 /nfs/dbraw/zinc/59/10/51/932591051.db2.gz DMOCALIKGCFNEN-KRWDZBQOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+](Cc1c(C)nc2scc(C)n12)C1CC1 ZINC001462059647 937615060 /nfs/dbraw/zinc/61/50/60/937615060.db2.gz BSMBRAGMLISGLJ-UHFFFAOYSA-N 1 1 261.394 3.163 20 30 CGEDMO C=CC[N@H+](Cc1c(C)nc2scc(C)n12)C1CC1 ZINC001462059647 937615062 /nfs/dbraw/zinc/61/50/62/937615062.db2.gz BSMBRAGMLISGLJ-UHFFFAOYSA-N 1 1 261.394 3.163 20 30 CGEDMO C=C[C@H](CCCCCC)Oc1[nH+][nH]cc2nncc1-2 ZINC001230900342 932638893 /nfs/dbraw/zinc/63/88/93/932638893.db2.gz GZRJQPNKUCMFDG-LLVKDONJSA-N 1 1 260.341 3.257 20 30 CGEDMO C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1[nH+][nH]cc2nncc1-2 ZINC001230899797 932639485 /nfs/dbraw/zinc/63/94/85/932639485.db2.gz AASLLXVYTOHKOQ-UHIISALHSA-N 1 1 272.352 3.113 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](CNC(=O)OC(C)(C)C)C(C)C ZINC001462094295 937617579 /nfs/dbraw/zinc/61/75/79/937617579.db2.gz PIJNEKMERLFMJC-AWEZNQCLSA-N 1 1 284.444 3.291 20 30 CGEDMO CCCCCCC[N@@H+](CC)C[C@H](O)COC(C)C ZINC001252674234 932722137 /nfs/dbraw/zinc/72/21/37/932722137.db2.gz GOFHBXXXHOPJHD-HNNXBMFYSA-N 1 1 259.434 3.065 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)C(CC)CC)CCC[C@@H]12 ZINC001332070091 932732586 /nfs/dbraw/zinc/73/25/86/932732586.db2.gz MVPRGVIUGOLLHR-WBVHZDCISA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H]1CC=CCC1 ZINC001316600283 932745382 /nfs/dbraw/zinc/74/53/82/932745382.db2.gz IDYNLNRKPBWLSS-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC1(C)CC1 ZINC001316605332 932747432 /nfs/dbraw/zinc/74/74/32/932747432.db2.gz HAXLQMZPTITUTP-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)CC(C)(C)C ZINC001316610993 932748299 /nfs/dbraw/zinc/74/82/99/932748299.db2.gz WOODZWHXAWCAJI-HNNXBMFYSA-N 1 1 292.467 3.005 20 30 CGEDMO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)CC(C)(C)C ZINC001316610993 932748303 /nfs/dbraw/zinc/74/83/03/932748303.db2.gz WOODZWHXAWCAJI-HNNXBMFYSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[C@@H]([NH2+]CCC(C)(C)SC)C(=O)OCC ZINC001462248903 937627385 /nfs/dbraw/zinc/62/73/85/937627385.db2.gz NROJPGPRXUBMQD-GFCCVEGCSA-N 1 1 273.442 3.006 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@H]([N@H+](C)CC(=C)Cl)C1 ZINC001491951614 932798415 /nfs/dbraw/zinc/79/84/15/932798415.db2.gz KBTCTELLVVKUTN-AWEZNQCLSA-N 1 1 298.858 3.264 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)CC(=C)Cl)C1 ZINC001491951614 932798418 /nfs/dbraw/zinc/79/84/18/932798418.db2.gz KBTCTELLVVKUTN-AWEZNQCLSA-N 1 1 298.858 3.264 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@H]([N@H+](C)CCCC)C1 ZINC001491952926 932800122 /nfs/dbraw/zinc/80/01/22/932800122.db2.gz UMXJUZJZDKRBEQ-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H](C)CCCC ZINC001492149722 932807179 /nfs/dbraw/zinc/80/71/79/932807179.db2.gz WJEJZKXCSNFQFB-IAGOWNOFSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H]1CCCNC(=O)C1CCCC1 ZINC001492135356 932809064 /nfs/dbraw/zinc/80/90/64/932809064.db2.gz FNIANGCRFAFIRD-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)c1cc2cc(C)ccc2[nH]1 ZINC001492365835 932814729 /nfs/dbraw/zinc/81/47/29/932814729.db2.gz FYFCLDUXKNXXEL-UHFFFAOYSA-N 1 1 299.418 3.104 20 30 CGEDMO C#CC[C@H]1CC[N@H+](C[C@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC001462461596 937643257 /nfs/dbraw/zinc/64/32/57/937643257.db2.gz PIEOBZDMHWLEDL-CABCVRRESA-N 1 1 289.394 3.358 20 30 CGEDMO C#CC[N@H+](Cc1cc(C)cc(C)n1)C1CCCCC1 ZINC001307444451 932953271 /nfs/dbraw/zinc/95/32/71/932953271.db2.gz BRHOEVPKAQIIQF-UHFFFAOYSA-N 1 1 256.393 3.466 20 30 CGEDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)CCc2ccc(C#N)cc2)C1(C)C ZINC001307494607 932961581 /nfs/dbraw/zinc/96/15/81/932961581.db2.gz VPPXZVZMCJGSHI-AEFFLSMTSA-N 1 1 286.419 3.236 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001307875182 933013609 /nfs/dbraw/zinc/01/36/09/933013609.db2.gz QOIMZZIOMKUXKC-ZIAGYGMSSA-N 1 1 267.413 3.252 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](CC[C@H]2CCc3ccccc32)C1 ZINC001308067754 933042241 /nfs/dbraw/zinc/04/22/41/933042241.db2.gz KFMKMBGDMNBLME-NVXWUHKLSA-N 1 1 253.389 3.452 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC001308137069 933054740 /nfs/dbraw/zinc/05/47/40/933054740.db2.gz NYEFQNVMNQQIEH-GVDBMIGSSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC[N@H+](CC)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC001308134894 933055538 /nfs/dbraw/zinc/05/55/38/933055538.db2.gz UBMHSLPCMUQYDM-AWEZNQCLSA-N 1 1 285.391 3.173 20 30 CGEDMO C#C[C@H]1CCCC[N@H+]1Cc1cnc(-c2ccccc2)o1 ZINC001308140569 933056741 /nfs/dbraw/zinc/05/67/41/933056741.db2.gz HNNOGCYBRRPWCX-HNNXBMFYSA-N 1 1 266.344 3.329 20 30 CGEDMO C#C[C@@H]1CCCC[N@@H+]1CCOc1ccc(Cl)c(F)c1 ZINC001308143875 933057239 /nfs/dbraw/zinc/05/72/39/933057239.db2.gz WVCQOBWWVARUIS-GFCCVEGCSA-N 1 1 281.758 3.346 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCCC[C@H]2[C@@H]2CCCO2)CC1 ZINC001308158579 933062217 /nfs/dbraw/zinc/06/22/17/933062217.db2.gz BYUIKWDAGWFUDX-GQGLESIBSA-N 1 1 276.424 3.350 20 30 CGEDMO CCc1ccc2c(c1)C[N@H+](CCCSCC#N)CC2 ZINC001308173625 933065366 /nfs/dbraw/zinc/06/53/66/933065366.db2.gz CEKOTQXWZVRIIX-UHFFFAOYSA-N 1 1 274.433 3.254 20 30 CGEDMO CN(C)c1ccc(C#N)cc1C[N@@H+](CC1CC1)C1CCC1 ZINC001308717555 933164662 /nfs/dbraw/zinc/16/46/62/933164662.db2.gz IRCPSOKWZTXWIO-UHFFFAOYSA-N 1 1 283.419 3.389 20 30 CGEDMO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@@H](C#N)C2)c1 ZINC001308935613 933207920 /nfs/dbraw/zinc/20/79/20/933207920.db2.gz QZQKKZVNYCAPAX-ZDUSSCGKSA-N 1 1 258.365 3.251 20 30 CGEDMO CC(C)c1ccc(O)c(C[N@H+]2CCC[C@@H](C#N)C2)c1 ZINC001308935613 933207926 /nfs/dbraw/zinc/20/79/26/933207926.db2.gz QZQKKZVNYCAPAX-ZDUSSCGKSA-N 1 1 258.365 3.251 20 30 CGEDMO C=CCCCN(CC)C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC001311400346 933294972 /nfs/dbraw/zinc/29/49/72/933294972.db2.gz JEJWDIGZWSFIJD-HOTGVXAUSA-N 1 1 295.471 3.247 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]([C@H]2CC[N@H+](CCC)C2)C1 ZINC001328808172 933464873 /nfs/dbraw/zinc/46/48/73/933464873.db2.gz OJOXGGURCGHBPZ-IRXDYDNUSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCCCN1C(=O)CCC ZINC001316801124 933468340 /nfs/dbraw/zinc/46/83/40/933468340.db2.gz OJJUCBRPSFIUOO-CVEARBPZSA-N 1 1 280.456 3.454 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)CC)CC(C)(C)C1 ZINC001316811273 933470511 /nfs/dbraw/zinc/47/05/11/933470511.db2.gz KVRDNFNNBYFDKG-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1occc1C ZINC001316804255 933482070 /nfs/dbraw/zinc/48/20/70/933482070.db2.gz ZKMNWJPOWAAXDV-HNNXBMFYSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C(C)(C)F ZINC001316801588 933482090 /nfs/dbraw/zinc/48/20/90/933482090.db2.gz UWAFJHORBWYQIC-AWEZNQCLSA-N 1 1 284.419 3.014 20 30 CGEDMO C=CCC[N@@H+](C)CCCNC(=O)c1ccc(F)c(Cl)c1 ZINC001316848910 933487355 /nfs/dbraw/zinc/48/73/55/933487355.db2.gz MWKQLNQFYZZKGK-UHFFFAOYSA-N 1 1 298.789 3.107 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)CCCCC)C1 ZINC001316937356 933497941 /nfs/dbraw/zinc/49/79/41/933497941.db2.gz GEXRDEJBVFWADE-HNNXBMFYSA-N 1 1 266.429 3.114 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001316955422 933501412 /nfs/dbraw/zinc/50/14/12/933501412.db2.gz RPCBYOGBHZJSHG-CVEARBPZSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC=C)C1)c1ccccc1 ZINC001316952210 933502848 /nfs/dbraw/zinc/50/28/48/933502848.db2.gz NPKBDSFIQDOGMF-QZTJIDSGSA-N 1 1 298.430 3.113 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[N@H+](CC(C)C)C2)CCCCC1 ZINC001316994231 933507667 /nfs/dbraw/zinc/50/76/67/933507667.db2.gz HHQHARHTCONUJT-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC[C@H](C[N@@H+](C)CC(=C)C)C1 ZINC001317040104 933518384 /nfs/dbraw/zinc/51/83/84/933518384.db2.gz WYDKZKXGWWDWND-DLBZAZTESA-N 1 1 292.467 3.335 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)/C=C(/C)CC)C1 ZINC001317129782 933536605 /nfs/dbraw/zinc/53/66/05/933536605.db2.gz CDHHFJQOHIGUSJ-UVQBRAAOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)C[C@H](C)CCC)C1 ZINC001317127143 933536983 /nfs/dbraw/zinc/53/69/83/933536983.db2.gz CUQKSOPPLDZAFC-CVEARBPZSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001317127890 933537113 /nfs/dbraw/zinc/53/71/13/933537113.db2.gz JYAAYRCCTYTZBO-KRWDZBQOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@H]1CCC[N@@H+](CCC(C)C)C1 ZINC001317135790 933537236 /nfs/dbraw/zinc/53/72/36/933537236.db2.gz RESRGROLVZONCG-AEFFLSMTSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)CC(C)C)C1 ZINC001317202080 933551165 /nfs/dbraw/zinc/55/11/65/933551165.db2.gz DWQSJJGKDUKIDS-CVEARBPZSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)/C=C/C(C)(C)C)C1 ZINC001317200944 933551922 /nfs/dbraw/zinc/55/19/22/933551922.db2.gz NKFWYCZMFJJICU-IGXNXKSNSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)CCC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@H+]1CCF ZINC001317209896 933553485 /nfs/dbraw/zinc/55/34/85/933553485.db2.gz VKKADCQJASLKEY-HOTGVXAUSA-N 1 1 296.430 3.158 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)CCC2(C)CC2)C1 ZINC001317382469 933581868 /nfs/dbraw/zinc/58/18/68/933581868.db2.gz RVWFMFHORUEBFL-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C#CCC[N@@H+](CC)CCNC(=O)c1ccccc1C1CCC1 ZINC001317491755 933604471 /nfs/dbraw/zinc/60/44/71/933604471.db2.gz AMZPNBCDGCXTPZ-UHFFFAOYSA-N 1 1 298.430 3.029 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)CC ZINC001317506757 933607352 /nfs/dbraw/zinc/60/73/52/933607352.db2.gz FFSPSJHFAZDDIX-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1CC[N@H+](CCCC(C)C)C1 ZINC001317520812 933609743 /nfs/dbraw/zinc/60/97/43/933609743.db2.gz RDKNOKDGXYPLEH-INIZCTEOSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(Cl)C[N@H+](CCC)CCNC(=O)C12CCC(CC1)C2 ZINC001317540232 933612555 /nfs/dbraw/zinc/61/25/55/933612555.db2.gz DTBFKLFJJQYFRG-UHFFFAOYSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C(Cl)C[N@@H+](CCC)CCNC(=O)C12CCC(CC1)C2 ZINC001317540232 933612566 /nfs/dbraw/zinc/61/25/66/933612566.db2.gz DTBFKLFJJQYFRG-UHFFFAOYSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)[C@@H](C)c1ccsc1 ZINC001317544936 933614213 /nfs/dbraw/zinc/61/42/13/933614213.db2.gz DAWNYTZHJNAXAN-AWEZNQCLSA-N 1 1 294.464 3.256 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C ZINC001317543828 933614916 /nfs/dbraw/zinc/61/49/16/933614916.db2.gz XFVKIXHWIFLZMF-JKSUJKDBSA-N 1 1 292.467 3.239 20 30 CGEDMO C=C1CCC(C(=O)NCC[N@H+](CC[C@H](C)F)C2CC2)CC1 ZINC001317556787 933620140 /nfs/dbraw/zinc/62/01/40/933620140.db2.gz OYSPWYWLQMXQCY-AWEZNQCLSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)c1cc(C)ccc1C)C1CC1 ZINC001317560368 933621057 /nfs/dbraw/zinc/62/10/57/933621057.db2.gz ZZJXNOVDGDTCSD-UHFFFAOYSA-N 1 1 286.419 3.074 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H](C)CCCC)C1 ZINC001317755588 933645481 /nfs/dbraw/zinc/64/54/81/933645481.db2.gz XNOXLJAEYUEJSO-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CC23CCC3)C1 ZINC001317766616 933646355 /nfs/dbraw/zinc/64/63/55/933646355.db2.gz GKSDPEWMFRWKSN-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001317796523 933652579 /nfs/dbraw/zinc/65/25/79/933652579.db2.gz ADSXVJJAIHEKDB-HOTGVXAUSA-N 1 1 292.467 3.217 20 30 CGEDMO CCCCC[N@@H+](C)CC1CCN(C(=O)C#CC(C)C)CC1 ZINC001317872317 933661773 /nfs/dbraw/zinc/66/17/73/933661773.db2.gz OQQPXMQZLLGBSL-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)[C@@H](CCCC)C(C)C)C1 ZINC001318093009 933685783 /nfs/dbraw/zinc/68/57/83/933685783.db2.gz HHAVEUXZHQVWSF-INIZCTEOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@](C)(CC)CCC ZINC001318220435 933697053 /nfs/dbraw/zinc/69/70/53/933697053.db2.gz WZKZQFKWMYMWJY-XYJFISCASA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC(C)(C)CCNC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC001467673426 937720856 /nfs/dbraw/zinc/72/08/56/937720856.db2.gz CABSWVCDEDDJNH-GJZGRUSLSA-N 1 1 295.471 3.151 20 30 CGEDMO C[NH+](C)[C@@H]1CCCC[C@@H]1N[C@@H]1CCCc2cc(C#N)ccc21 ZINC001319804253 933935097 /nfs/dbraw/zinc/93/50/97/933935097.db2.gz FWNBJTFKMUJXMY-CEXWTWQISA-N 1 1 297.446 3.398 20 30 CGEDMO C#CC[N@H+](C)CCC1CCN(C(=O)C(C)(C)CCC)CC1 ZINC001319886355 933949988 /nfs/dbraw/zinc/94/99/88/933949988.db2.gz SUAJMWSEHCNYTF-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO CCN1CCC[C@H](C[NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC001319925403 933957860 /nfs/dbraw/zinc/95/78/60/933957860.db2.gz MJVWCPKIUIRUPD-APWZRJJASA-N 1 1 297.446 3.257 20 30 CGEDMO N#CCC[N@@H+](CCc1ccc(F)cc1F)CC1CC1 ZINC001319991481 933974288 /nfs/dbraw/zinc/97/42/88/933974288.db2.gz AZIDIWGTFXXNIW-UHFFFAOYSA-N 1 1 264.319 3.133 20 30 CGEDMO N#CCC[N@H+](CCc1ccc(F)cc1F)CC1CC1 ZINC001319991481 933974294 /nfs/dbraw/zinc/97/42/94/933974294.db2.gz AZIDIWGTFXXNIW-UHFFFAOYSA-N 1 1 264.319 3.133 20 30 CGEDMO C=CCO[C@H]1CC[N@H+]([C@@H](C)c2nc3ccccc3o2)C1 ZINC001320037882 933985585 /nfs/dbraw/zinc/98/55/85/933985585.db2.gz KINJBUHHJYZFFZ-STQMWFEESA-N 1 1 272.348 3.166 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N(C)CC[N@@H+](C)CC1CC(C)C1 ZINC001320041677 933985952 /nfs/dbraw/zinc/98/59/52/933985952.db2.gz FIPYYWKJGJTMCF-DQPZFDDXSA-N 1 1 280.456 3.025 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C#N)cc1OC(F)F)CC1CC1 ZINC001320135754 934006853 /nfs/dbraw/zinc/00/68/53/934006853.db2.gz NZWHCTQPVSNJAY-UHFFFAOYSA-N 1 1 290.313 3.005 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2nc3ccccc3s2)C1 ZINC001320160847 934010244 /nfs/dbraw/zinc/01/02/44/934010244.db2.gz SJOAYSLMSLLKGH-GFCCVEGCSA-N 1 1 274.389 3.073 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC001320160847 934010255 /nfs/dbraw/zinc/01/02/55/934010255.db2.gz SJOAYSLMSLLKGH-GFCCVEGCSA-N 1 1 274.389 3.073 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](CCCOc2c(C)cccc2C)C1 ZINC001320325538 934032507 /nfs/dbraw/zinc/03/25/07/934032507.db2.gz RZORIIGRVLBHTK-KRWDZBQOSA-N 1 1 289.419 3.349 20 30 CGEDMO C=CC[C@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC001470388994 937752081 /nfs/dbraw/zinc/75/20/81/937752081.db2.gz QREWCZQLOQOUCW-JYJNAYRXSA-N 1 1 295.471 3.149 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)C1(C)CCCC1 ZINC001322211069 934259437 /nfs/dbraw/zinc/25/94/37/934259437.db2.gz SPKRGQWMGOTMOQ-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO C[C@H](CO)[N@@H+](CC#Cc1ccc(F)cc1)Cc1ccccc1 ZINC001322837951 934339291 /nfs/dbraw/zinc/33/92/91/934339291.db2.gz ZNNMCGWBEQMKBY-MRXNPFEDSA-N 1 1 297.373 3.060 20 30 CGEDMO C[C@@H]1CC(N=Nc2ccccc2Cl)CC[N@H+]1C ZINC001323136930 934366426 /nfs/dbraw/zinc/36/64/26/934366426.db2.gz SOSMUZHOMONSAV-SNVBAGLBSA-N 1 1 251.761 3.222 20 30 CGEDMO C=CC1(CC(=O)NC[C@H]2CC[N@@H+]2C(C)C)CCCCC1 ZINC001323316937 934383819 /nfs/dbraw/zinc/38/38/19/934383819.db2.gz BTAUKDQTYZNVIX-OAHLLOKOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CNC(=O)C1(C)C(C)(C)C1(C)C ZINC001323372052 934391776 /nfs/dbraw/zinc/39/17/76/934391776.db2.gz PTBSYBNUSIWCNP-AWEZNQCLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001323731607 934421520 /nfs/dbraw/zinc/42/15/20/934421520.db2.gz YEOWMIUUWPAIGD-ZDUSSCGKSA-N 1 1 296.754 3.025 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001323731607 934421523 /nfs/dbraw/zinc/42/15/23/934421523.db2.gz YEOWMIUUWPAIGD-ZDUSSCGKSA-N 1 1 296.754 3.025 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccc(OC)c(Cl)c2)C1 ZINC001323727799 934422015 /nfs/dbraw/zinc/42/20/15/934422015.db2.gz IOMYGSLQGRFAGC-ZDUSSCGKSA-N 1 1 281.783 3.126 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)/C(C)=C/CC)C2)C1 ZINC001323844660 934430789 /nfs/dbraw/zinc/43/07/89/934430789.db2.gz MDHQZBGHZOLPMH-XSZFBFBBSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@](C)(F)CCCC)C2)C1 ZINC001323857548 934432665 /nfs/dbraw/zinc/43/26/65/934432665.db2.gz JJQXEMCTYFYTOT-IAGOWNOFSA-N 1 1 296.430 3.015 20 30 CGEDMO Cc1nc(N2CCCCC2)sc1C=[NH+]OCC1CC1 ZINC001324162504 934467974 /nfs/dbraw/zinc/46/79/74/934467974.db2.gz HIVARDSSZQCUMN-UHFFFAOYSA-N 1 1 279.409 3.202 20 30 CGEDMO C[C@H](CC#N)[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001324743773 934562179 /nfs/dbraw/zinc/56/21/79/934562179.db2.gz ILMHUXVRVBLSBY-CQSZACIVSA-N 1 1 257.381 3.021 20 30 CGEDMO C[C@H](CC#N)[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001324743773 934562190 /nfs/dbraw/zinc/56/21/90/934562190.db2.gz ILMHUXVRVBLSBY-CQSZACIVSA-N 1 1 257.381 3.021 20 30 CGEDMO C#CC[NH+]1CCC(Nc2nc3c(ccc(C)c3C)s2)CC1 ZINC001472882023 937787981 /nfs/dbraw/zinc/78/79/81/937787981.db2.gz FVVKJMCLVSFSLW-UHFFFAOYSA-N 1 1 299.443 3.423 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C)[C@@H]2CC)cc1 ZINC001473410884 937806333 /nfs/dbraw/zinc/80/63/33/937806333.db2.gz OTALDLMLJYTGQH-PBHICJAKSA-N 1 1 284.403 3.117 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@]1(C)CCC[N@H+](C(C)C)C1 ZINC001324960997 934876392 /nfs/dbraw/zinc/87/63/92/934876392.db2.gz MWDMNZZYPYBEJD-KRWDZBQOSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](CC2([C@H]3CCCCO3)CCC2)C1 ZINC001473581299 937812780 /nfs/dbraw/zinc/81/27/80/937812780.db2.gz KMUGBLMYMSILLC-DLBZAZTESA-N 1 1 275.436 3.461 20 30 CGEDMO C=CCCC[N@H+]1C[C@H]2CN(C(=O)CC[C@@H](C)CC)C[C@H]2C1 ZINC001325767407 934928375 /nfs/dbraw/zinc/92/83/75/934928375.db2.gz ZUNSTJINDIPZEA-YESZJQIVSA-N 1 1 292.467 3.169 20 30 CGEDMO Cc1ccc(C[N@@H+](Cc2cc(C#N)ccn2)CC2CC2)cn1 ZINC001473583205 937812687 /nfs/dbraw/zinc/81/26/87/937812687.db2.gz ZLRFRJMNBPEHJE-UHFFFAOYSA-N 1 1 292.386 3.069 20 30 CGEDMO Cc1ccc(C[N@H+](Cc2cc(C#N)ccn2)CC2CC2)cn1 ZINC001473583205 937812688 /nfs/dbraw/zinc/81/26/88/937812688.db2.gz ZLRFRJMNBPEHJE-UHFFFAOYSA-N 1 1 292.386 3.069 20 30 CGEDMO N#Cc1ccnc(C[N@H+]2CCC[C@H]2CC2CCCC2)c1 ZINC001473595721 937813010 /nfs/dbraw/zinc/81/30/10/937813010.db2.gz LTQOOXWFFGJMTM-KRWDZBQOSA-N 1 1 269.392 3.498 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)CCCC ZINC001325899926 934938423 /nfs/dbraw/zinc/93/84/23/934938423.db2.gz OMCSPYZEMFOOFA-OWCLPIDISA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]2C[N@@H+](CCC3CC3)C[C@H]21 ZINC001325945567 934940807 /nfs/dbraw/zinc/94/08/07/934940807.db2.gz DQPOKKIQNZIQTE-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CC(=O)OC(C)(C)C ZINC001473611185 937813579 /nfs/dbraw/zinc/81/35/79/937813579.db2.gz NXQKJLAQPBJYDV-CYBMUJFWSA-N 1 1 253.386 3.149 20 30 CGEDMO C#CCCCCCC(=O)N[C@@H]1CCC[N@H+](CC(C)C)CC1 ZINC001327141044 935035115 /nfs/dbraw/zinc/03/51/15/935035115.db2.gz AOGDJMFJYKNHKD-QGZVFWFLSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)/C(C)=C\CC ZINC001327506663 935065045 /nfs/dbraw/zinc/06/50/45/935065045.db2.gz HKSSRKZEPBGVHP-ODZYNRFZSA-N 1 1 298.430 3.072 20 30 CGEDMO C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)/C(C)=C\CC ZINC001327506663 935065054 /nfs/dbraw/zinc/06/50/54/935065054.db2.gz HKSSRKZEPBGVHP-ODZYNRFZSA-N 1 1 298.430 3.072 20 30 CGEDMO C=C(Cl)COc1ccc([C@@H](C)NCC[C@H](C)[NH2+]C)cc1 ZINC001327840109 935089234 /nfs/dbraw/zinc/08/92/34/935089234.db2.gz MOUYYZFNBZACAY-UONOGXRCSA-N 1 1 296.842 3.467 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](C[C@H](C)c2cc(F)cc(F)c2)C1 ZINC001327946372 935101212 /nfs/dbraw/zinc/10/12/12/935101212.db2.gz OWOQAEAEYRIIQO-BLLLJJGKSA-N 1 1 281.346 3.345 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)CCCC)C(C)(C)C1 ZINC001328080571 935115605 /nfs/dbraw/zinc/11/56/05/935115605.db2.gz GXRHVEFVKKULSR-CVEARBPZSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)CC(C)C)C(C)(C)C1 ZINC001328099379 935116774 /nfs/dbraw/zinc/11/67/74/935116774.db2.gz UVDKOMWLWBPTLB-CVEARBPZSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H]2c3ccccc3CC[N@@H+]2CC)C1 ZINC001328469893 935141006 /nfs/dbraw/zinc/14/10/06/935141006.db2.gz SVNMGUTXULZHGG-QGZVFWFLSA-N 1 1 298.430 3.078 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC=CCC1 ZINC001328704391 935161309 /nfs/dbraw/zinc/16/13/09/935161309.db2.gz OUZCRPLNAZFYJH-LSDHHAIUSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC=CCC1 ZINC001328704391 935161311 /nfs/dbraw/zinc/16/13/11/935161311.db2.gz OUZCRPLNAZFYJH-LSDHHAIUSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]1C[N@H+](C)Cc1ccccc1 ZINC001328707356 935162177 /nfs/dbraw/zinc/16/21/77/935162177.db2.gz PJQNEQBZTIPMPW-QGZVFWFLSA-N 1 1 286.419 3.076 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C1(F)CCCC1 ZINC001328732478 935164448 /nfs/dbraw/zinc/16/44/48/935164448.db2.gz GFNOUCKYMLUEMV-HNNXBMFYSA-N 1 1 296.430 3.158 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)CC=C(C)C ZINC001328752865 935166583 /nfs/dbraw/zinc/16/65/83/935166583.db2.gz NBTLGEMVHGAQNF-MRXNPFEDSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)CCC ZINC001328764575 935167931 /nfs/dbraw/zinc/16/79/31/935167931.db2.gz LYAWUHQMJUGADR-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1sccc1F ZINC001329432104 935216090 /nfs/dbraw/zinc/21/60/90/935216090.db2.gz RRJFDMKVLDAHEX-RYUDHWBXSA-N 1 1 298.427 3.292 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1sccc1F ZINC001329432105 935216382 /nfs/dbraw/zinc/21/63/82/935216382.db2.gz RRJFDMKVLDAHEX-VXGBXAGGSA-N 1 1 298.427 3.292 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)CNC(=O)c1ccc(C)c2ccccc12 ZINC001329560127 935228614 /nfs/dbraw/zinc/22/86/14/935228614.db2.gz MWIQNZZYAOCQOI-OAHLLOKOSA-N 1 1 296.414 3.384 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)CNC(=O)CC[C@@H](C)c1ccccc1 ZINC001329575477 935229642 /nfs/dbraw/zinc/22/96/42/935229642.db2.gz TYHZYNSXBBBEOZ-CVEARBPZSA-N 1 1 288.435 3.193 20 30 CGEDMO C#CCC[N@H+](C)[C@@H](C)CNC(=O)CC1CCC(C)(C)CC1 ZINC001329628816 935234837 /nfs/dbraw/zinc/23/48/37/935234837.db2.gz UTIMBUDPUBXSHN-HNNXBMFYSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2nsc3ccccc23)C1 ZINC001329875970 935250176 /nfs/dbraw/zinc/25/01/76/935250176.db2.gz IAXRCNUHTIPYFR-GFCCVEGCSA-N 1 1 274.389 3.073 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2nsc3ccccc23)C1 ZINC001329875970 935250178 /nfs/dbraw/zinc/25/01/78/935250178.db2.gz IAXRCNUHTIPYFR-GFCCVEGCSA-N 1 1 274.389 3.073 20 30 CGEDMO C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](CC)CCCC ZINC001329908433 935253984 /nfs/dbraw/zinc/25/39/84/935253984.db2.gz JZBCEPFTJCWRSS-DLBZAZTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](C[C@H](C)CC)CC1(C)C ZINC001330204734 935276667 /nfs/dbraw/zinc/27/66/67/935276667.db2.gz WFUKASYFCAQNFH-HUUCEWRRSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1C[N@H+](CCC(=C)C)CC1(C)C ZINC001330242533 935279560 /nfs/dbraw/zinc/27/95/60/935279560.db2.gz LUQKGJPRBRLFIJ-HNNXBMFYSA-N 1 1 292.467 3.382 20 30 CGEDMO CC[N@@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)CC(C)C ZINC001330658079 935308948 /nfs/dbraw/zinc/30/89/48/935308948.db2.gz QABOKOYXQINDMQ-GOSISDBHSA-N 1 1 286.419 3.405 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)c2ccoc2)CC1 ZINC001331000137 935340653 /nfs/dbraw/zinc/34/06/53/935340653.db2.gz LTDOLNMZYWCFME-CQSZACIVSA-N 1 1 290.407 3.171 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)C2(CC)CCCC2)CC1 ZINC001331059954 935346347 /nfs/dbraw/zinc/34/63/47/935346347.db2.gz QZOPCVUNNDSEMR-UHFFFAOYSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)CCC3(C)CC3)CCC[C@@H]12 ZINC001332110588 935441159 /nfs/dbraw/zinc/44/11/59/935441159.db2.gz JMCSYJSARRPLBV-QAPCUYQASA-N 1 1 290.451 3.256 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2occc2C)[C@@H]1C ZINC001332160167 935444056 /nfs/dbraw/zinc/44/40/56/935444056.db2.gz QLIMDPJKBNWODF-LSDHHAIUSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C2(CC)CC2)[C@@H]1C ZINC001332208384 935449280 /nfs/dbraw/zinc/44/92/80/935449280.db2.gz VXZNAVSXXCFNNB-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)C1CC(C)(C)C1)C(C)C ZINC001332699924 935483131 /nfs/dbraw/zinc/48/31/31/935483131.db2.gz QHILOMQDQQKCDG-UHFFFAOYSA-N 1 1 280.456 3.168 20 30 CGEDMO COCC[N@@H+](CC1CCC(C#N)CC1)[C@@H]1CC[C@@H](C)C1 ZINC001334874032 936119898 /nfs/dbraw/zinc/11/98/98/936119898.db2.gz MIQDJOYWXZIAOD-RDHHWEPZSA-N 1 1 278.440 3.453 20 30 CGEDMO C=CCC[C@@H]([NH2+]C[C@H]1CCCN(CC)C1)C1CC1 ZINC001334869283 936119978 /nfs/dbraw/zinc/11/99/78/936119978.db2.gz WTVTXXVVOWENJZ-GDBMZVCRSA-N 1 1 250.430 3.053 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]Cc1ccc(OC)o1 ZINC001334963881 936124430 /nfs/dbraw/zinc/12/44/30/936124430.db2.gz BFSAUUBKIOCEPY-UHFFFAOYSA-N 1 1 273.332 3.143 20 30 CGEDMO C[C@]1(C#N)CCC[N@H+](C[C@@H]2CCCC3(CCC3)O2)C1 ZINC001335760491 936158700 /nfs/dbraw/zinc/15/87/00/936158700.db2.gz ROLHLQPDKQYAJN-LSDHHAIUSA-N 1 1 262.397 3.104 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](C[C@@H]2CCCC3(CCC3)O2)C1 ZINC001335760491 936158704 /nfs/dbraw/zinc/15/87/04/936158704.db2.gz ROLHLQPDKQYAJN-LSDHHAIUSA-N 1 1 262.397 3.104 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC001336775974 936217401 /nfs/dbraw/zinc/21/74/01/936217401.db2.gz PIQWDCKRGZBRSS-QWHCGFSZSA-N 1 1 259.340 3.089 20 30 CGEDMO CS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cc(C#N)cs2)C1 ZINC001337042445 936233484 /nfs/dbraw/zinc/23/34/84/936233484.db2.gz MTIJCLHEONGLBY-VXGBXAGGSA-N 1 1 266.435 3.336 20 30 CGEDMO CCCCCCCCC[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001473792849 937822416 /nfs/dbraw/zinc/82/24/16/937822416.db2.gz QQOYCRCPRSEKLH-OWCLPIDISA-N 1 1 253.430 3.440 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@H+](C)CC(C)C ZINC001474364437 937854922 /nfs/dbraw/zinc/85/49/22/937854922.db2.gz DREIMOKYCZFVMM-UHFFFAOYSA-N 1 1 265.784 3.440 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](C[C@H]2CCC[C@@H](CC)C2)C1 ZINC001474389370 937856568 /nfs/dbraw/zinc/85/65/68/937856568.db2.gz NSZSPLLIGRFCIT-OWCLPIDISA-N 1 1 251.414 3.480 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1c(Cl)cccc1CC ZINC001474642191 937872310 /nfs/dbraw/zinc/87/23/10/937872310.db2.gz BGPGXLLAUVDHFF-UHFFFAOYSA-N 1 1 279.811 3.374 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001479094525 937916128 /nfs/dbraw/zinc/91/61/28/937916128.db2.gz XKCMGJNBFBHTIH-LSDHHAIUSA-N 1 1 295.471 3.103 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N(C)C[C@@H]1CC[N@H+]1CCC(=C)C ZINC001479235442 937917933 /nfs/dbraw/zinc/91/79/33/937917933.db2.gz IURKZSSJTFUVOO-HOTGVXAUSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCCCC)[C@H]1CC ZINC001479628739 937923278 /nfs/dbraw/zinc/92/32/78/937923278.db2.gz HHWSVBBJSBJCMH-UONOGXRCSA-N 1 1 286.847 3.288 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCCCC)[C@H]1CC ZINC001479628739 937923280 /nfs/dbraw/zinc/92/32/80/937923280.db2.gz HHWSVBBJSBJCMH-UONOGXRCSA-N 1 1 286.847 3.288 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)(C)CC)[C@H]1CC ZINC001479641082 937923545 /nfs/dbraw/zinc/92/35/45/937923545.db2.gz LAOFEXZKOUCVQS-QWHCGFSZSA-N 1 1 286.847 3.144 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)CC)[C@H]1CC ZINC001479641082 937923546 /nfs/dbraw/zinc/92/35/46/937923546.db2.gz LAOFEXZKOUCVQS-QWHCGFSZSA-N 1 1 286.847 3.144 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)CCCCCC)[C@H]1C ZINC001479715118 937923950 /nfs/dbraw/zinc/92/39/50/937923950.db2.gz QZWLHIZKYGKUAM-IKGGRYGDSA-N 1 1 292.467 3.195 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC1(C)C ZINC001479733776 937924736 /nfs/dbraw/zinc/92/47/36/937924736.db2.gz DHKXNXJBDVPMRI-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCCC[C@H]1C[N@@H+](C)CC1CC1 ZINC001479735607 937924995 /nfs/dbraw/zinc/92/49/95/937924995.db2.gz WDEIEQBAWVBIFF-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)[C@H]2C[C@@H]2C)CC1 ZINC001479990290 937930763 /nfs/dbraw/zinc/93/07/63/937930763.db2.gz VPJHQHMUAPOOGT-WFASDCNBSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CC2(C)CC2)C1 ZINC001480080928 937931845 /nfs/dbraw/zinc/93/18/45/937931845.db2.gz IZQSEHOHCFHTJB-AWEZNQCLSA-N 1 1 298.858 3.100 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)C[C@@H]2C=CCCC2)C1 ZINC001480077729 937931895 /nfs/dbraw/zinc/93/18/95/937931895.db2.gz HHVKZVDEIFGNGW-IAGOWNOFSA-N 1 1 290.451 3.089 20 30 CGEDMO CCCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC ZINC001480088903 937932232 /nfs/dbraw/zinc/93/22/32/937932232.db2.gz FVLABESYPIDTEY-GASCZTMLSA-N 1 1 266.429 3.042 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@H]1CCCC[N@@H+]1C/C=C\Cl ZINC001480325401 937936211 /nfs/dbraw/zinc/93/62/11/937936211.db2.gz LPLZOIBAKHWHEV-JKEYDSJLSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@H]1CCCC[N@H+]1C/C=C\Cl ZINC001480325401 937936213 /nfs/dbraw/zinc/93/62/13/937936213.db2.gz LPLZOIBAKHWHEV-JKEYDSJLSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCCC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CC=C(C)C)C1 ZINC001480377452 937937681 /nfs/dbraw/zinc/93/76/81/937937681.db2.gz UQUSJKHKTZZBGK-HOTGVXAUSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC(=O)N[C@H](C)[C@H]1CCC[N@@H+](CC=C(C)C)C1 ZINC001480377451 937937684 /nfs/dbraw/zinc/93/76/84/937937684.db2.gz UQUSJKHKTZZBGK-CVEARBPZSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)CCC(C)C)C1 ZINC001480716774 937942840 /nfs/dbraw/zinc/94/28/40/937942840.db2.gz OPBUIALSAUXNTP-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CCC(=O)NCCC[C@@H]1CCC[N@H+]1CC1CC1 ZINC001480823300 937944786 /nfs/dbraw/zinc/94/47/86/937944786.db2.gz HHMXRKGMZCBYEU-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1ccsc1 ZINC001493073872 937946602 /nfs/dbraw/zinc/94/66/02/937946602.db2.gz LHEMLUZQAFYGOM-ZFWWWQNUSA-N 1 1 292.448 3.297 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C=C(CC)CC ZINC001493093825 937947113 /nfs/dbraw/zinc/94/71/13/937947113.db2.gz QPMSMFJXKOEAFD-CQSZACIVSA-N 1 1 284.831 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C=C(CC)CC ZINC001493093825 937947114 /nfs/dbraw/zinc/94/71/14/937947114.db2.gz QPMSMFJXKOEAFD-CQSZACIVSA-N 1 1 284.831 3.066 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@](C)(F)CCCC ZINC001493117817 937947358 /nfs/dbraw/zinc/94/73/58/937947358.db2.gz DINGYYRDJOSUNC-ZBFHGGJFSA-N 1 1 284.419 3.062 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](CNC(=O)CC(C)(C)C=C)C1 ZINC001493206995 937948344 /nfs/dbraw/zinc/94/83/44/937948344.db2.gz NKXJPWLTCKSLRD-HOTGVXAUSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@H]1CC[N@H+](CC/C=C/CC)C1 ZINC001493206433 937948679 /nfs/dbraw/zinc/94/86/79/937948679.db2.gz JSCJIDDAKKZMPL-KXPUMZMLSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](CNC(=O)CC2CC(C)(C)C2)C1 ZINC001493229628 937948739 /nfs/dbraw/zinc/94/87/39/937948739.db2.gz WMVYCWJSHQYPCU-OAHLLOKOSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@@H+](CCC)CCNC(=O)c1ccsc1C ZINC001493288200 937949016 /nfs/dbraw/zinc/94/90/16/937949016.db2.gz COYVZHNHNAQJQF-UHFFFAOYSA-N 1 1 280.437 3.074 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)C1C[C@@H](C)C[C@H](C)C1 ZINC001493334660 937949683 /nfs/dbraw/zinc/94/96/83/937949683.db2.gz WMLQTBDMMIESDA-HOTGVXAUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC(C)(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCCC ZINC001493916256 937952308 /nfs/dbraw/zinc/95/23/08/937952308.db2.gz ZTNIJTQOGJPXIL-IYBDPMFKSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](CCNC(=O)C2(F)CCCC2)C1 ZINC001494030007 937953030 /nfs/dbraw/zinc/95/30/30/937953030.db2.gz LMJFFFKLCGGQKM-HNNXBMFYSA-N 1 1 296.430 3.063 20 30 CGEDMO C#CCCCCC(=O)N1CC[C@@H](C[N@H+](C)C[C@H](C)CC)C1 ZINC001494125245 937953382 /nfs/dbraw/zinc/95/33/82/937953382.db2.gz MWEGRWYMUMUASZ-SJORKVTESA-N 1 1 292.467 3.006 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCN(C(=O)C2CC(C(C)(C)C)C2)C1 ZINC001494178103 937953567 /nfs/dbraw/zinc/95/35/67/937953567.db2.gz GRTPNVFRYFPFBV-FHERZECASA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@H](C[N@@H+](C)CCC(=C)C)C1 ZINC001494161814 937953760 /nfs/dbraw/zinc/95/37/60/937953760.db2.gz PWNOUWUWAPILSL-MRXNPFEDSA-N 1 1 292.467 3.335 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)CC(C)C ZINC001494676145 937955632 /nfs/dbraw/zinc/95/56/32/937955632.db2.gz VHELNPMRLJXGEL-IKGGRYGDSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CC1(CC(=O)N[C@H]2CC[N@H+](CC(=C)C)C2)CCCCC1 ZINC001494726244 937956117 /nfs/dbraw/zinc/95/61/17/937956117.db2.gz LEZZRTDLDXJRHV-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](C)CCC)C1 ZINC001494809069 937956382 /nfs/dbraw/zinc/95/63/82/937956382.db2.gz USRMGAXVXLUUML-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2CN(C(=O)CC(C)(C)C=C)CC[C@@H]21 ZINC001496862065 937964456 /nfs/dbraw/zinc/96/44/56/937964456.db2.gz VPMAXOBGDOEROB-HOTGVXAUSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)[C@]1(C)CC=CCC1 ZINC001498296064 937969031 /nfs/dbraw/zinc/96/90/31/937969031.db2.gz ONWWBHYOQLAXDZ-DOTOQJQBSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)c1sccc1C(C)C ZINC001498454689 937969847 /nfs/dbraw/zinc/96/98/47/937969847.db2.gz DGERUZQDABCIKC-CYBMUJFWSA-N 1 1 294.464 3.498 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)sc1C ZINC001499014378 937971827 /nfs/dbraw/zinc/97/18/27/937971827.db2.gz DQGCSBNSUKIGRL-CQSZACIVSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(Cl)s1 ZINC001499112751 937972561 /nfs/dbraw/zinc/97/25/61/937972561.db2.gz RHIOIMJSATYDMB-LLVKDONJSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CC[N@@H+]2CC[C@@H](C)F)CCCC1 ZINC001499139392 937972706 /nfs/dbraw/zinc/97/27/06/937972706.db2.gz XCHQLNMKCOQSPJ-HUUCEWRRSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[N@H+](CCNC(=O)[C@H]1C[C@@H]1C)C1CCCCCC1 ZINC001499518686 937973634 /nfs/dbraw/zinc/97/36/34/937973634.db2.gz DLPRGTHKWZCDGH-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+](CC1CC1)C1CCN(C(=O)/C(C)=C/C)CC1 ZINC001499526338 937973707 /nfs/dbraw/zinc/97/37/07/937973707.db2.gz SEYNWHWKVVHTEO-PJQLUOCWSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC001499571151 937974054 /nfs/dbraw/zinc/97/40/54/937974054.db2.gz YVZDPHJMXLXJIQ-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCCC(=O)N[C@]1(C)CC[N@H+](CC/C=C\CCC)C1 ZINC001500192213 937976439 /nfs/dbraw/zinc/97/64/39/937976439.db2.gz ZTWICBJCQWINJZ-XZVRFQMRSA-N 1 1 278.440 3.280 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)C[C@@H]1C=CCC1 ZINC001502158496 937981593 /nfs/dbraw/zinc/98/15/93/937981593.db2.gz UBOXKVRUFVXFEM-MRXNPFEDSA-N 1 1 278.440 3.089 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)[C@H](C)c1ccco1 ZINC001502373743 937982090 /nfs/dbraw/zinc/98/20/90/937982090.db2.gz VKBIEBJQMNQEOM-OAHLLOKOSA-N 1 1 292.423 3.130 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)c1ccc(CC)cc1 ZINC001502393584 937982527 /nfs/dbraw/zinc/98/25/27/937982527.db2.gz ANXUPNRSNFKNDC-UHFFFAOYSA-N 1 1 288.435 3.219 20 30 CGEDMO C#CCC[N@@H+]1Cc2ccc(CNC(=O)C(CC)CC)cc2C1 ZINC001502647091 937982606 /nfs/dbraw/zinc/98/26/06/937982606.db2.gz FWWNVTUCKDZLOL-UHFFFAOYSA-N 1 1 298.430 3.078 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@]2(CC[N@H+](CCCC)C2)C1 ZINC001502542143 937982614 /nfs/dbraw/zinc/98/26/14/937982614.db2.gz ZROOXROWKOATPI-KRWDZBQOSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@H+](CC(C)C)CC1(C)C ZINC001502828482 937983309 /nfs/dbraw/zinc/98/33/09/937983309.db2.gz AVAIJAJMEDEXQE-OAHLLOKOSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)CSC(C)C)C[C@H]1C ZINC001502903970 937983583 /nfs/dbraw/zinc/98/35/83/937983583.db2.gz WZYLUAUPNKLOMR-CABCVRRESA-N 1 1 298.496 3.063 20 30 CGEDMO CCCCC[N@H+]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[C@@H]1C ZINC001502923681 937984007 /nfs/dbraw/zinc/98/40/07/937984007.db2.gz UPMJWLXSZKPTAV-JKSUJKDBSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCCCC(=O)N1CCC(C[N@@H+](CC)CC2CC2)CC1 ZINC001505398860 937984961 /nfs/dbraw/zinc/98/49/61/937984961.db2.gz YAVGUHRVXFRQDB-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)C1CCCCC1 ZINC001505418197 937985131 /nfs/dbraw/zinc/98/51/31/937985131.db2.gz TXXZDJKPHQJNPE-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)c1ccccc1 ZINC001505418190 937985272 /nfs/dbraw/zinc/98/52/72/937985272.db2.gz SXNDREDFGYMLBW-QGZVFWFLSA-N 1 1 286.419 3.189 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)c1sccc1C ZINC001505418244 937985293 /nfs/dbraw/zinc/98/52/93/937985293.db2.gz UUTXZPHKNYSKCX-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C)CCC ZINC001505424810 937985350 /nfs/dbraw/zinc/98/53/50/937985350.db2.gz VIZKMFBKSCPMHH-OCCSQVGLSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C)CCC ZINC001505424810 937985351 /nfs/dbraw/zinc/98/53/51/937985351.db2.gz VIZKMFBKSCPMHH-OCCSQVGLSA-N 1 1 286.847 3.098 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]([C@H]2CC[N@H+](CC(=C)C)C2)C1 ZINC001505471864 937985811 /nfs/dbraw/zinc/98/58/11/937985811.db2.gz CKFSTTYOAUNNAE-IRXDYDNUSA-N 1 1 290.451 3.089 20 30 CGEDMO CC(C)C[N@H+]1CCCCC[C@H]1CNC(=O)C#CC(C)(C)C ZINC001506563694 937990786 /nfs/dbraw/zinc/99/07/86/937990786.db2.gz MXCSBFLSNGNRFL-INIZCTEOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)CCC2CCC2)C(C)(C)C1 ZINC001506737315 937991513 /nfs/dbraw/zinc/99/15/13/937991513.db2.gz OQCNWXBLWZIEBQ-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)CC(C)(C)C=C)C(C)(C)C1 ZINC001506740595 937991788 /nfs/dbraw/zinc/99/17/88/937991788.db2.gz WAPWCIOYCZDEJY-HNNXBMFYSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C2(CF)CCC2)[C@H]1C ZINC001507379614 937995499 /nfs/dbraw/zinc/99/54/99/937995499.db2.gz AALGKEJUCGDXFC-HUUCEWRRSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C(=O)c1ccc(C)o1)C(C)C ZINC001507757987 937996572 /nfs/dbraw/zinc/99/65/72/937996572.db2.gz NPDQRTYNPFCWSE-UHFFFAOYSA-N 1 1 292.423 3.337 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)CC(C)=C(C)C)C(C)C ZINC001507823450 937996986 /nfs/dbraw/zinc/99/69/86/937996986.db2.gz SLDIIHGYZPHIEP-UHFFFAOYSA-N 1 1 280.456 3.478 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)[C@H]1CCC[C@@H](F)C1)C(C)C ZINC001507788329 937997046 /nfs/dbraw/zinc/99/70/46/937997046.db2.gz SJWZSRIJESDTQY-JKSUJKDBSA-N 1 1 298.446 3.260 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)[C@@H]1CC[C@H](C)C1)C(C)C ZINC001507840557 937997271 /nfs/dbraw/zinc/99/72/71/937997271.db2.gz KIZBEENUMMKSPM-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO CCCCCCCC(=O)N1CC[N@@H+](CC)C[C@H]1CC ZINC001525710359 938051038 /nfs/dbraw/zinc/05/10/38/938051038.db2.gz RSDNDYPRBHTKHB-OAHLLOKOSA-N 1 1 268.445 3.290 20 30 CGEDMO C=C(CC(C)C)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001528094611 938065556 /nfs/dbraw/zinc/06/55/56/938065556.db2.gz KTWRULFBBVGHAT-HZPDHXFCSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCCCCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001532191580 938085150 /nfs/dbraw/zinc/08/51/50/938085150.db2.gz INECRWPUOULQER-OAHLLOKOSA-N 1 1 266.429 3.064 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC001536448886 938105043 /nfs/dbraw/zinc/10/50/43/938105043.db2.gz PNDBRCORODOCQU-QGZVFWFLSA-N 1 1 297.402 3.247 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@@H](OCC)C1CC1 ZINC001559514115 938228285 /nfs/dbraw/zinc/22/82/85/938228285.db2.gz RYEITNYWBHZGOL-QGZVFWFLSA-N 1 1 275.367 3.076 20 30 CGEDMO C#CCOCC[N@H+](C)[C@H]1CCC[C@H]1c1ccc(C)cc1 ZINC001559562618 938229832 /nfs/dbraw/zinc/22/98/32/938229832.db2.gz GJVOIFRWMPHJPC-ROUUACIJSA-N 1 1 271.404 3.213 20 30 CGEDMO C[C@]1(C#N)CCC[N@H+](C[C@H]2CC3(CO2)CCCCC3)C1 ZINC001559671329 938232628 /nfs/dbraw/zinc/23/26/28/938232628.db2.gz LYBFFGBDDZYTCS-HZPDHXFCSA-N 1 1 276.424 3.351 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](C[C@H]2CC3(CO2)CCCCC3)C1 ZINC001559671329 938232629 /nfs/dbraw/zinc/23/26/29/938232629.db2.gz LYBFFGBDDZYTCS-HZPDHXFCSA-N 1 1 276.424 3.351 20 30 CGEDMO CCCCCCCCCC[N@@H+]1CCC[C@H](O)[C@@H]1C(=O)OC ZINC001559752666 938234552 /nfs/dbraw/zinc/23/45/52/938234552.db2.gz DMDLCUDWZFJBDB-JKSUJKDBSA-N 1 1 299.455 3.125 20 30 CGEDMO CCCCCCCCCC[N@H+]1CCC[C@H](O)[C@@H]1C(=O)OC ZINC001559752666 938234553 /nfs/dbraw/zinc/23/45/53/938234553.db2.gz DMDLCUDWZFJBDB-JKSUJKDBSA-N 1 1 299.455 3.125 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)C1CC(OC(C)(C)C)C1 ZINC001559820787 938236595 /nfs/dbraw/zinc/23/65/95/938236595.db2.gz OKLGTGSOZZGRIY-UHFFFAOYSA-N 1 1 271.404 3.468 20 30 CGEDMO C=CC[C@@H](C(=O)OC)[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001559977382 938240455 /nfs/dbraw/zinc/24/04/55/938240455.db2.gz SYLRKKOXJIZSDY-CABCVRRESA-N 1 1 265.397 3.006 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@H]2CCCN(c3ccccc3)C2=O)C1 ZINC001559983198 938241016 /nfs/dbraw/zinc/24/10/16/938241016.db2.gz KDJUZOYUYRRTKF-WMZOPIPTSA-N 1 1 298.430 3.470 20 30 CGEDMO COCC#CC[N@H+]1CC=C(c2ccc(Cl)cc2C)CC1 ZINC001560049689 938242919 /nfs/dbraw/zinc/24/29/19/938242919.db2.gz NSSABPKXQFOWOV-UHFFFAOYSA-N 1 1 289.806 3.387 20 30 CGEDMO COCC#CC[N@@H+]1CC=C(c2ccc(Cl)cc2C)CC1 ZINC001560049689 938242920 /nfs/dbraw/zinc/24/29/20/938242920.db2.gz NSSABPKXQFOWOV-UHFFFAOYSA-N 1 1 289.806 3.387 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@@H](CCC(=O)OC)C1 ZINC001560116669 938244248 /nfs/dbraw/zinc/24/42/48/938244248.db2.gz GHMRATYVHYGKSN-INIZCTEOSA-N 1 1 279.424 3.235 20 30 CGEDMO CCCCCCCC[N@H+]1CC(=O)NC[C@H]1C(C)(C)C ZINC001560172616 938246013 /nfs/dbraw/zinc/24/60/13/938246013.db2.gz BXHKXYFBSZOYHI-AWEZNQCLSA-N 1 1 268.445 3.193 20 30 CGEDMO C=CCOCC[N@@H+]1C[C@H](c2ccccc2)CC1(C)C ZINC001560188324 938246403 /nfs/dbraw/zinc/24/64/03/938246403.db2.gz YZENJYWGXHVLFQ-MRXNPFEDSA-N 1 1 259.393 3.457 20 30 CGEDMO Cc1cccc(C)c1C[N@H+]1CCc2c(C#N)c(N)sc2C1 ZINC001560200600 938246847 /nfs/dbraw/zinc/24/68/47/938246847.db2.gz CSGZTCTUTIYQMY-UHFFFAOYSA-N 1 1 297.427 3.377 20 30 CGEDMO C[C@@]12CSC[C@@H]1C[N@@H+](Cc1ccc(C#N)cc1Cl)C2 ZINC001560204346 938246990 /nfs/dbraw/zinc/24/69/90/938246990.db2.gz IAGZUJAJKOJPPQ-DZGCQCFKSA-N 1 1 292.835 3.397 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCO[C@H](c3ccccc3)CC2)o1 ZINC001560227305 938248124 /nfs/dbraw/zinc/24/81/24/938248124.db2.gz LGVSNIBSEJLAQV-KRWDZBQOSA-N 1 1 282.343 3.115 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCO[C@H](c3ccccc3)CC2)o1 ZINC001560227305 938248125 /nfs/dbraw/zinc/24/81/25/938248125.db2.gz LGVSNIBSEJLAQV-KRWDZBQOSA-N 1 1 282.343 3.115 20 30 CGEDMO C#CC[N@@H+](Cc1cn(CC)nc1C)[C@H]1CCc2ccccc21 ZINC001560702192 938271375 /nfs/dbraw/zinc/27/13/75/938271375.db2.gz YKTRLNCCMSBMFD-IBGZPJMESA-N 1 1 293.414 3.334 20 30 CGEDMO C#CC[N@H+](Cc1cn(CC)nc1C)[C@H]1CCc2ccccc21 ZINC001560702192 938271376 /nfs/dbraw/zinc/27/13/76/938271376.db2.gz YKTRLNCCMSBMFD-IBGZPJMESA-N 1 1 293.414 3.334 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc2ccc(F)cc2[nH]c1=O ZINC001560720953 938271868 /nfs/dbraw/zinc/27/18/68/938271868.db2.gz QCRGFKAFZILVDX-UHFFFAOYSA-N 1 1 274.339 3.478 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc(Cl)cc1O ZINC001560718467 938272339 /nfs/dbraw/zinc/27/23/39/938272339.db2.gz UMQLOWXBRAEYOK-UHFFFAOYSA-N 1 1 266.772 3.417 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)Cc1cc[nH]c(=O)c1 ZINC001560725454 938272670 /nfs/dbraw/zinc/27/26/70/938272670.db2.gz FNMFFBQQJKRZHC-UHFFFAOYSA-N 1 1 260.362 3.037 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@]2(CCC)C(=O)OCC)cc1 ZINC001560796734 938276414 /nfs/dbraw/zinc/27/64/14/938276414.db2.gz JPVQWRHEBIRCGF-LJQANCHMSA-N 1 1 299.414 3.366 20 30 CGEDMO C#CCC[N@H+](CCOC)C[C@@H](c1ccccc1)C(C)C ZINC001560946129 938285779 /nfs/dbraw/zinc/28/57/79/938285779.db2.gz PSKAMDLRTZHDRG-GOSISDBHSA-N 1 1 273.420 3.398 20 30 CGEDMO N#Cc1cccc(C[NH2+]Cc2ccsc2C(F)(F)F)n1 ZINC001560958794 938286399 /nfs/dbraw/zinc/28/63/99/938286399.db2.gz ADCVPNGBEKHMMU-UHFFFAOYSA-N 1 1 297.305 3.323 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)C1CSC1 ZINC001560975880 938287447 /nfs/dbraw/zinc/28/74/47/938287447.db2.gz LIKSUNOZKSZLNL-UHFFFAOYSA-N 1 1 284.428 3.038 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C1CSC1 ZINC001560975880 938287448 /nfs/dbraw/zinc/28/74/48/938287448.db2.gz LIKSUNOZKSZLNL-UHFFFAOYSA-N 1 1 284.428 3.038 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H]2CC[N@H+]2CCCC2CCC2)C1 ZINC001483679764 957820949 /nfs/dbraw/zinc/82/09/49/957820949.db2.gz NYEMEKJQESOUQL-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)CNC(=O)[C@@]1(C)CCC(C)=C(C)C1 ZINC001570753656 960457171 /nfs/dbraw/zinc/45/71/71/960457171.db2.gz NJADVKJKPKDUBA-WBVHZDCISA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)C(=C)C ZINC001570728496 960457971 /nfs/dbraw/zinc/45/79/71/960457971.db2.gz PXVWRGOZBAENPZ-HUUCEWRRSA-N 1 1 280.456 3.380 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H]2CC[C@H](NC(C)=O)C[C@H]2C1 ZINC001571011214 960459021 /nfs/dbraw/zinc/45/90/21/960459021.db2.gz XOWSNNQXCHLLTL-ULQDDVLXSA-N 1 1 280.456 3.193 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@H]1CC[N@@H+](CCCC(C)C)C1 ZINC001566673080 960569301 /nfs/dbraw/zinc/56/93/01/960569301.db2.gz ZREATGGNQDCVKA-HOTGVXAUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC(=O)NCC[N@H+](C)CC[C@@H]1CCC[C@H](C)C1 ZINC001567273723 960583239 /nfs/dbraw/zinc/58/32/39/960583239.db2.gz KQDCMYMMZCOTPF-HOTGVXAUSA-N 1 1 280.456 3.217 20 30 CGEDMO CC#CCCCC(=O)NC[C@H]1CCC[N@H+]1CCCC(C)C ZINC001567374108 960592550 /nfs/dbraw/zinc/59/25/50/960592550.db2.gz RCCBYVZBOHXBAO-QGZVFWFLSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(CC(C)C)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC001565752330 960826840 /nfs/dbraw/zinc/82/68/40/960826840.db2.gz MCZPNCVCSKPDSP-MRXNPFEDSA-N 1 1 288.435 3.225 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@@H](C)CC)[C@H]1CC ZINC001566010652 960869230 /nfs/dbraw/zinc/86/92/30/960869230.db2.gz MVZNQSXIHAJXIJ-FPMFFAJLSA-N 1 1 286.847 3.144 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)CC)[C@H]1CC ZINC001566010652 960869245 /nfs/dbraw/zinc/86/92/45/960869245.db2.gz MVZNQSXIHAJXIJ-FPMFFAJLSA-N 1 1 286.847 3.144 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC=CCC2)[C@H]1C ZINC001566099249 960876441 /nfs/dbraw/zinc/87/64/41/960876441.db2.gz DILVRXRYXQAZJS-IKGGRYGDSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC(C)(C)C(=O)NCCC[N@H+](C)[C@H](C)c1ccccc1 ZINC001566481480 960934679 /nfs/dbraw/zinc/93/46/79/960934679.db2.gz DLRAOBOLGHHYGG-OAHLLOKOSA-N 1 1 288.435 3.398 20 30 CGEDMO C=C(C)C[N@@H+](C)CCCNC(=O)C1(C)CCCCCC1 ZINC001566462638 960942861 /nfs/dbraw/zinc/94/28/61/960942861.db2.gz ZODXVDQQRLOQQD-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C=C(Cl)C[N@@H+](CCCNC(=O)C1(C)CC=CC1)C1CC1 ZINC001566595419 960961937 /nfs/dbraw/zinc/96/19/37/960961937.db2.gz CKVLXVVMZSBWJT-UHFFFAOYSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@H+](CCCNC(=O)C1(C)CC=CC1)C1CC1 ZINC001566595419 960961946 /nfs/dbraw/zinc/96/19/46/960961946.db2.gz CKVLXVVMZSBWJT-UHFFFAOYSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)CC(C)(C)C)C1 ZINC001566682426 960982320 /nfs/dbraw/zinc/98/23/20/960982320.db2.gz ZTWWJKBPENHJKH-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)CC(CC)CC)C1 ZINC001566676766 960988345 /nfs/dbraw/zinc/98/83/45/960988345.db2.gz QWZARBHALVTSCV-ZBFHGGJFSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)C2(CC)CCCCC2)C1 ZINC001566881329 961048349 /nfs/dbraw/zinc/04/83/49/961048349.db2.gz QAUDLMBOPYOKBW-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)=C1CCCC1 ZINC001566920419 961060036 /nfs/dbraw/zinc/06/00/36/961060036.db2.gz RYLLYHZAGMIADI-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)CC1CCCC1 ZINC001566916873 961064367 /nfs/dbraw/zinc/06/43/67/961064367.db2.gz SSTUUZOOWPBWSN-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCCCC ZINC001566954781 961069584 /nfs/dbraw/zinc/06/95/84/961069584.db2.gz CVVJXCGFUZSWAM-IRXDYDNUSA-N 1 1 290.451 3.045 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)CCCC ZINC001566971834 961081769 /nfs/dbraw/zinc/08/17/69/961081769.db2.gz NGRDHZRLHNWFEO-ALYAQQCSSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CCCNC(=O)/C=C(/C)C1CC1 ZINC001567246769 961152162 /nfs/dbraw/zinc/15/21/62/961152162.db2.gz IQIKIQRSXDMTDH-NHRMXYMRSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)C1(F)CCCC1 ZINC001567253992 961154455 /nfs/dbraw/zinc/15/44/55/961154455.db2.gz HVLAYDCEBGFSMQ-HNNXBMFYSA-N 1 1 296.430 3.206 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](C)C(C)(C)C ZINC001567253385 961157599 /nfs/dbraw/zinc/15/75/99/961157599.db2.gz DIOWENRUDUQAAA-CVEARBPZSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC(C)(C)CC(=O)NCC[N@H+](C)CCC(C)(C)C ZINC001567284247 961269707 /nfs/dbraw/zinc/26/97/07/961269707.db2.gz ZORRBJBKVVQFBW-UHFFFAOYSA-N 1 1 268.445 3.073 20 30 CGEDMO C=C(C)CCC(=O)NCC[N@H+](C)[C@H](C)c1ccccc1 ZINC001567284671 961270034 /nfs/dbraw/zinc/27/00/34/961270034.db2.gz RBGOYXZZTOTMFE-OAHLLOKOSA-N 1 1 274.408 3.152 20 30 CGEDMO CC#CC[N@@H+](CC)CCNC(=O)CCCC1CCCCC1 ZINC001567351811 961295567 /nfs/dbraw/zinc/29/55/67/961295567.db2.gz CDEZWZZQFONNPL-UHFFFAOYSA-N 1 1 292.467 3.198 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](CNC(=O)c2ccc(C)s2)C1 ZINC001567389377 961303490 /nfs/dbraw/zinc/30/34/90/961303490.db2.gz PEHJBALWNFNICF-CQSZACIVSA-N 1 1 292.448 3.074 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCC[N@H+]1C/C=C/c1ccccc1 ZINC001567367116 961308923 /nfs/dbraw/zinc/30/89/23/961308923.db2.gz VLKKQTMAKKDZDY-DBEXCURXSA-N 1 1 298.430 3.247 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+]1C[C@@H](C)CC(C)C ZINC001567378353 961311190 /nfs/dbraw/zinc/31/11/90/961311190.db2.gz ZYZWLCFKHROGCN-JKSUJKDBSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)C=C(CC)CC)C1 ZINC001567396688 961329239 /nfs/dbraw/zinc/32/92/39/961329239.db2.gz HXRUPNAWDIYSNH-INIZCTEOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)c1cc(F)ccc1C ZINC001567428070 961341003 /nfs/dbraw/zinc/34/10/03/961341003.db2.gz OADALSDJOASALK-UHFFFAOYSA-N 1 1 292.398 3.152 20 30 CGEDMO C#CC[N@H+](CCCNC(=O)[C@@H]1CCCC[C@@H]1CC)C(C)C ZINC001567651761 961376242 /nfs/dbraw/zinc/37/62/42/961376242.db2.gz XEIFAQBJNXQQCR-DLBZAZTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)c1ccc(Cl)cc1)C(C)C ZINC001567651944 961381387 /nfs/dbraw/zinc/38/13/87/961381387.db2.gz FUHZAMKLQNSRMB-UHFFFAOYSA-N 1 1 294.826 3.356 20 30 CGEDMO C#CC[N@H+](CCCNC(=O)C[C@H](CC)C(C)(C)C)C(C)C ZINC001567651290 961384788 /nfs/dbraw/zinc/38/47/88/961384788.db2.gz IXYYIQTZLSJPEU-INIZCTEOSA-N 1 1 294.483 3.299 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@H](C[N@H+](C)C[C@H](C)CC)C1 ZINC001567737416 961414298 /nfs/dbraw/zinc/41/42/98/961414298.db2.gz AMHDYFDJZWEEGK-HZPDHXFCSA-N 1 1 294.483 3.415 20 30 CGEDMO CC#CCCCC(=O)N[C@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC001567777731 961429550 /nfs/dbraw/zinc/42/95/50/961429550.db2.gz MNSPUOMHZQPLNB-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC001567874504 961456168 /nfs/dbraw/zinc/45/61/68/961456168.db2.gz ZMTAUGQNMZOLGK-WMZOPIPTSA-N 1 1 298.430 3.221 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)C2(CC(C)C)CCCC2)C1 ZINC001567923691 961460270 /nfs/dbraw/zinc/46/02/70/961460270.db2.gz DFJQKULBCQIXGT-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)CCC(=C)C)C1 ZINC001567939392 961465992 /nfs/dbraw/zinc/46/59/92/961465992.db2.gz RIXMHMCFWZYTQQ-INIZCTEOSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)CCC1CCCC1 ZINC001568472779 961586651 /nfs/dbraw/zinc/58/66/51/961586651.db2.gz AQCWDUIHESWIJG-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H](C)C[NH2+]C/C(Cl)=C/Cl ZINC001569073558 961677057 /nfs/dbraw/zinc/67/70/57/961677057.db2.gz ZJVDEZHIBUOZNF-OYUORYAFSA-N 1 1 293.238 3.002 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)CC1(C)CCCC1 ZINC001569355454 961745159 /nfs/dbraw/zinc/74/51/59/961745159.db2.gz KHQWCWMBPVQEML-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C1(CC)CCC1 ZINC001569370056 961746554 /nfs/dbraw/zinc/74/65/54/961746554.db2.gz LTGLSTWITZFDHG-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)C1CCCCC1 ZINC001569375625 961754029 /nfs/dbraw/zinc/75/40/29/961754029.db2.gz AVTXNDMKRLLFRO-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)C(C)(C)C1CCCCC1 ZINC001569375625 961754035 /nfs/dbraw/zinc/75/40/35/961754035.db2.gz AVTXNDMKRLLFRO-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)C[C@H]2C=CCCC2)C1 ZINC001569641676 961816085 /nfs/dbraw/zinc/81/60/85/961816085.db2.gz RROUCNLOOYIDLL-HOCLYGCPSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)C[C@H]2C=CCCC2)C1 ZINC001569641676 961816105 /nfs/dbraw/zinc/81/61/05/961816105.db2.gz RROUCNLOOYIDLL-HOCLYGCPSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H](C)CCC)C2 ZINC001569858049 961864055 /nfs/dbraw/zinc/86/40/55/961864055.db2.gz CKGIUYHYLXLPAJ-NXOAAHMSSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC1(C)CC1 ZINC001569915049 961868530 /nfs/dbraw/zinc/86/85/30/961868530.db2.gz MXEDTSKBFOBAQJ-JKSUJKDBSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCC ZINC001569913243 961877747 /nfs/dbraw/zinc/87/77/47/961877747.db2.gz PJQSKSUUZSVNQJ-HOTGVXAUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)C1CC2(CCC2)C1 ZINC001570206073 961925970 /nfs/dbraw/zinc/92/59/70/961925970.db2.gz HIAOMIOOVYKRNU-UHFFFAOYSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCN(C)C(=O)C1CC2(CCC2)C1 ZINC001570206073 961925983 /nfs/dbraw/zinc/92/59/83/961925983.db2.gz HIAOMIOOVYKRNU-UHFFFAOYSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)c1ccc(C)c(C)c1 ZINC001570216733 961934482 /nfs/dbraw/zinc/93/44/82/961934482.db2.gz IOMAUMXYIHNKQW-UHFFFAOYSA-N 1 1 288.435 3.273 20 30 CGEDMO C=CCCCC(=O)NCc1ccc2c(c1)C[N@@H+](CC=C)C2 ZINC001570312579 961939206 /nfs/dbraw/zinc/93/92/06/961939206.db2.gz HFGOZZNQIFDRBR-UHFFFAOYSA-N 1 1 284.403 3.161 20 30 CGEDMO C=CCCCC(=O)NCc1ccc2c(c1)C[N@H+](CC=C)C2 ZINC001570312579 961939215 /nfs/dbraw/zinc/93/92/15/961939215.db2.gz HFGOZZNQIFDRBR-UHFFFAOYSA-N 1 1 284.403 3.161 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@H+](CCC)CC1(C)C ZINC001570397947 961956837 /nfs/dbraw/zinc/95/68/37/961956837.db2.gz RMIPFLBEFPUVPS-RHSMWYFYSA-N 1 1 280.456 3.215 20 30 CGEDMO CC#CCCCC(=O)N[C@@H]1CC[N@H+](CCCCC)[C@@H](C)C1 ZINC001570441632 961971665 /nfs/dbraw/zinc/97/16/65/961971665.db2.gz WQVRIEHUEMJGQE-DLBZAZTESA-N 1 1 292.467 3.339 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC(C)(C)C2CC2)C[C@H]1C ZINC001570433767 961972595 /nfs/dbraw/zinc/97/25/95/961972595.db2.gz CHMOVSOODCUJID-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1c2ccccc2CC[N@@H+]1C(C)C ZINC001570477099 961977963 /nfs/dbraw/zinc/97/79/63/961977963.db2.gz OPDAAIYNYNHPPB-QGZVFWFLSA-N 1 1 286.419 3.077 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1C[N@@H+](C)CC=C(C)C ZINC001570540696 961987194 /nfs/dbraw/zinc/98/71/94/961987194.db2.gz RPKBXONPGJFYKK-AEFFLSMTSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)C1(C)CC(=C)C1 ZINC001570541097 961988840 /nfs/dbraw/zinc/98/88/40/961988840.db2.gz XGTNKZMIPFNHHX-CQSZACIVSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)C1(C)CC(=C)C1 ZINC001570541097 961988853 /nfs/dbraw/zinc/98/88/53/961988853.db2.gz XGTNKZMIPFNHHX-CQSZACIVSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)C1CCC1 ZINC001570521702 961990775 /nfs/dbraw/zinc/99/07/75/961990775.db2.gz CBTHNUKGOPTYEB-GDBMZVCRSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@H]1C[N@H+](C)C[C@H](C)CC ZINC001570537884 961994438 /nfs/dbraw/zinc/99/44/38/961994438.db2.gz IQLVJEOAWQTPGS-CABCVRRESA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)c1cscc1C ZINC001570704535 962041186 /nfs/dbraw/zinc/04/11/86/962041186.db2.gz NRMLVBHHTQRPSX-ZDUSSCGKSA-N 1 1 280.437 3.073 20 30 CGEDMO C=CCCC(=O)NC[C@@H](C)[N@H+](C)Cc1cccc(CC)c1 ZINC001570700476 962047691 /nfs/dbraw/zinc/04/76/91/962047691.db2.gz QFNJRZSVVOAFAE-OAHLLOKOSA-N 1 1 288.435 3.152 20 30 CGEDMO C=CCC1(C(=O)NC[C@H](C)[N@@H+](C)CC2CC(C)C2)CCC1 ZINC001570734255 962055335 /nfs/dbraw/zinc/05/53/35/962055335.db2.gz QDYYOCXSBQJODA-PCKAHOCUSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H](C)[N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001570735624 962064682 /nfs/dbraw/zinc/06/46/82/962064682.db2.gz IESCKPQLFHAMEB-CQSZACIVSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)c1ccc(C)c(C)c1 ZINC001570748644 962071692 /nfs/dbraw/zinc/07/16/92/962071692.db2.gz DAEBECAHHVEUJB-MRXNPFEDSA-N 1 1 288.435 3.320 20 30 CGEDMO CC#CC[N@@H+]1C[C@H](NC(=O)[C@H](CC)CCCC)C(C)(C)C1 ZINC001570888517 962101128 /nfs/dbraw/zinc/10/11/28/962101128.db2.gz GCOWEDUKOSZSIE-CVEARBPZSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](CC=C(C)C)CC1(C)C ZINC001570902174 962109919 /nfs/dbraw/zinc/10/99/19/962109919.db2.gz MUNPPMHLBBFAHY-JKSUJKDBSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)/C=C(\C)CC)C2)C1 ZINC001571035758 962120650 /nfs/dbraw/zinc/12/06/50/962120650.db2.gz LKBGYAXIKQYTMM-MDWZMJQESA-N 1 1 296.842 3.020 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)/C=C(\C)CC)C2)C1 ZINC001571035758 962120659 /nfs/dbraw/zinc/12/06/59/962120659.db2.gz LKBGYAXIKQYTMM-MDWZMJQESA-N 1 1 296.842 3.020 20 30 CGEDMO C=CCCCC(=O)N1CCC([N@H+](C)CC[C@H](C)F)CC1 ZINC001571333034 962130861 /nfs/dbraw/zinc/13/08/61/962130861.db2.gz CQMJGWFZRZVWSZ-AWEZNQCLSA-N 1 1 284.419 3.014 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC([N@H+](C)CC[C@@H](C)F)CC2)C1 ZINC001571333919 962132205 /nfs/dbraw/zinc/13/22/05/962132205.db2.gz GBNDSQFGOAYYRG-CQSZACIVSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)/C=C\C(C)(C)C)CCC[C@@H]12 ZINC001571496703 962165790 /nfs/dbraw/zinc/16/57/90/962165790.db2.gz HWJSOFKXSJJXGT-QVFMIUSGSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCCCC(=O)N[C@]12CCC[C@@H]1[N@@H+](CCC(=C)C)CC2 ZINC001571503719 962170996 /nfs/dbraw/zinc/17/09/96/962170996.db2.gz UXZBZVANMBIPCS-WMZOPIPTSA-N 1 1 290.451 3.422 20 30 CGEDMO C#CCCCCC(=O)N[C@@]12CCC[C@@H]1[N@@H+](CCCC)CC2 ZINC001571498935 962173575 /nfs/dbraw/zinc/17/35/75/962173575.db2.gz KTFGJYXATRBVBE-FUHWJXTLSA-N 1 1 290.451 3.093 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)/C(C)=C\CC)CCC[C@H]12 ZINC001571497808 962173776 /nfs/dbraw/zinc/17/37/76/962173776.db2.gz WCPZBLPGUYCGIG-MXMNCTLASA-N 1 1 296.842 3.208 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)/C(C)=C\CC)CCC[C@H]12 ZINC001571497808 962173783 /nfs/dbraw/zinc/17/37/83/962173783.db2.gz WCPZBLPGUYCGIG-MXMNCTLASA-N 1 1 296.842 3.208 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)c1cc(C)oc1C)C(C)C ZINC001571610032 962183227 /nfs/dbraw/zinc/18/32/27/962183227.db2.gz CHUIUULGYUAPAA-UHFFFAOYSA-N 1 1 292.423 3.255 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)c1ccc(CC)cc1)C(C)C ZINC001571616097 962192258 /nfs/dbraw/zinc/19/22/58/962192258.db2.gz QKMRGYIFYOPAMP-UHFFFAOYSA-N 1 1 288.435 3.217 20 30 CGEDMO C=C(Cl)CN1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC001574859808 962324496 /nfs/dbraw/zinc/32/44/96/962324496.db2.gz IZDYQRJYVMPZGJ-ZFWWWQNUSA-N 1 1 270.848 3.359 20 30 CGEDMO Cc1ccccc1[C@@]1(F)CC[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000337422925 214073996 /nfs/dbraw/zinc/07/39/96/214073996.db2.gz XJGBBXOCYOPJLZ-GOSISDBHSA-N 1 1 297.377 3.276 20 30 CGEDMO Cc1ccccc1[C@@]1(F)CC[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000337422925 214073998 /nfs/dbraw/zinc/07/39/98/214073998.db2.gz XJGBBXOCYOPJLZ-GOSISDBHSA-N 1 1 297.377 3.276 20 30 CGEDMO Cc1n[nH]cc1C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000350654823 219043094 /nfs/dbraw/zinc/04/30/94/219043094.db2.gz HHYUKUIGEYOEEZ-UHFFFAOYSA-N 1 1 282.391 3.248 20 30 CGEDMO C=CCCN(C)C(=O)NCCC[N@H+](CC)C1CCCCC1 ZINC000651219200 398218232 /nfs/dbraw/zinc/21/82/32/398218232.db2.gz OCAMBRRMVJBTDH-UHFFFAOYSA-N 1 1 295.471 3.249 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2Cc2ccccc2)o1 ZINC000124965835 187163287 /nfs/dbraw/zinc/16/32/87/187163287.db2.gz ZJZKWOPAHCYLAD-OAHLLOKOSA-N 1 1 266.344 3.358 20 30 CGEDMO C=CC[C@H]1CC[C@@H]([NH2+]CCCN2CCCCC2)C1 ZINC000651669447 398265966 /nfs/dbraw/zinc/26/59/66/398265966.db2.gz VIJYQUDEGWQTQB-JKSUJKDBSA-N 1 1 250.430 3.197 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H]2c2ccncc2)c1 ZINC000125360736 187181324 /nfs/dbraw/zinc/18/13/24/187181324.db2.gz VHNHTLMLXONPDU-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H]2c2ccncc2)c1 ZINC000125360736 187181325 /nfs/dbraw/zinc/18/13/25/187181325.db2.gz VHNHTLMLXONPDU-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1cc2cc(Cl)cnc2o1 ZINC000590649669 346859382 /nfs/dbraw/zinc/85/93/82/346859382.db2.gz DQYSQXCBBFMZSO-UHFFFAOYSA-N 1 1 263.728 3.121 20 30 CGEDMO CC(C)c1csc(C[NH2+]Cc2ccc(C#N)cc2)n1 ZINC000125629810 187193752 /nfs/dbraw/zinc/19/37/52/187193752.db2.gz SFKUOCQKPXGKDQ-UHFFFAOYSA-N 1 1 271.389 3.428 20 30 CGEDMO CC[N@@H+](CCC1(C#N)CCCCC1)C[C@@H]1CCOC1 ZINC000591011266 346894097 /nfs/dbraw/zinc/89/40/97/346894097.db2.gz GIUVGCGPCGKRND-HNNXBMFYSA-N 1 1 264.413 3.209 20 30 CGEDMO CCO[C@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000591015011 346894413 /nfs/dbraw/zinc/89/44/13/346894413.db2.gz HYUZNZYPDXJUSB-HNNXBMFYSA-N 1 1 264.413 3.351 20 30 CGEDMO CC1(C)C[C@H](NCC2(C#N)CCC2)C[N@H+]1Cc1ccccc1 ZINC000591357743 346916884 /nfs/dbraw/zinc/91/68/84/346916884.db2.gz NYNZDWZTHPGUJG-KRWDZBQOSA-N 1 1 297.446 3.323 20 30 CGEDMO CC1(C)C[C@H]([NH2+]CC2(C#N)CCC2)CN1Cc1ccccc1 ZINC000591357743 346916885 /nfs/dbraw/zinc/91/68/85/346916885.db2.gz NYNZDWZTHPGUJG-KRWDZBQOSA-N 1 1 297.446 3.323 20 30 CGEDMO CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000439440828 529712164 /nfs/dbraw/zinc/71/21/64/529712164.db2.gz QTMOYQQRFJVRTK-CVEARBPZSA-N 1 1 292.810 3.337 20 30 CGEDMO CCc1ncc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cn1 ZINC000425368417 529752362 /nfs/dbraw/zinc/75/23/62/529752362.db2.gz WRXFVNAAZNHUMO-ZDUSSCGKSA-N 1 1 280.375 3.104 20 30 CGEDMO CCc1ncc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cn1 ZINC000425368417 529752363 /nfs/dbraw/zinc/75/23/63/529752363.db2.gz WRXFVNAAZNHUMO-ZDUSSCGKSA-N 1 1 280.375 3.104 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](CCC[C@@H]3CCOC3)CC2)cc1 ZINC000592089642 346962608 /nfs/dbraw/zinc/96/26/08/346962608.db2.gz HGNKWOSYWRNTBO-QGZVFWFLSA-N 1 1 296.414 3.464 20 30 CGEDMO N#Cc1ccc(C[N@@H+](CCC[C@H]2CCOC2)C2CC2)cc1 ZINC000592065423 346958885 /nfs/dbraw/zinc/95/88/85/346958885.db2.gz USWBOVZXHSKHBZ-KRWDZBQOSA-N 1 1 284.403 3.339 20 30 CGEDMO Cc1cccc([C@H]2CC[N@@H+](Cc3ccc(C#N)o3)C2)c1 ZINC000273168501 192064677 /nfs/dbraw/zinc/06/46/77/192064677.db2.gz LXAXADYFJZDXLZ-HNNXBMFYSA-N 1 1 266.344 3.449 20 30 CGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CCC(C)(C)C ZINC000592144291 346966702 /nfs/dbraw/zinc/96/67/02/346966702.db2.gz HKQXGMMEHPYOFD-CQSZACIVSA-N 1 1 293.455 3.086 20 30 CGEDMO N#Cc1cc(C[NH2+]C2(c3ccccc3F)CCC2)ccn1 ZINC000592145428 346966944 /nfs/dbraw/zinc/96/69/44/346966944.db2.gz ZOXLAIYMMBHKRL-UHFFFAOYSA-N 1 1 281.334 3.261 20 30 CGEDMO COC(=O)c1cccc(C[N@@H+](C)CCC(C)(C)C)c1C#N ZINC000592144616 346967028 /nfs/dbraw/zinc/96/70/28/346967028.db2.gz DVJPEVMLSOSHNT-UHFFFAOYSA-N 1 1 288.391 3.213 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000592134846 346965796 /nfs/dbraw/zinc/96/57/96/346965796.db2.gz NNGWMYANCGSOEK-MSOLQXFVSA-N 1 1 284.403 3.258 20 30 CGEDMO CC(C)(C#N)CN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000592507133 346993719 /nfs/dbraw/zinc/99/37/19/346993719.db2.gz HPRLCUMTRHTKJP-KRWDZBQOSA-N 1 1 297.446 3.323 20 30 CGEDMO C=CCCC[C@@H](C)NC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000623856265 349897174 /nfs/dbraw/zinc/89/71/74/349897174.db2.gz QLWNIJAUCFBJPO-ZBFHGGJFSA-N 1 1 293.455 3.047 20 30 CGEDMO C[C@]1(c2cccc(F)c2)CC[N@H+](CC2(C#N)CC2)C1 ZINC000593040886 347030749 /nfs/dbraw/zinc/03/07/49/347030749.db2.gz NUINCEZASCCMQB-HNNXBMFYSA-N 1 1 258.340 3.093 20 30 CGEDMO C[C@]1(c2cccc(F)c2)CC[N@@H+](CC2(C#N)CC2)C1 ZINC000593040886 347030754 /nfs/dbraw/zinc/03/07/54/347030754.db2.gz NUINCEZASCCMQB-HNNXBMFYSA-N 1 1 258.340 3.093 20 30 CGEDMO Cc1ccccc1C1([NH2+]Cc2nc(C#N)cs2)CCC1 ZINC000593040841 347031130 /nfs/dbraw/zinc/03/11/30/347031130.db2.gz WNXCCXFWVZIYPE-UHFFFAOYSA-N 1 1 283.400 3.492 20 30 CGEDMO C[N@@H+](CCOc1cccc(C#N)c1)Cc1ccsc1 ZINC000035719209 344942710 /nfs/dbraw/zinc/94/27/10/344942710.db2.gz OBZRSWVQHVGCPG-UHFFFAOYSA-N 1 1 272.373 3.131 20 30 CGEDMO COc1ccc2ccccc2c1C[NH2+]C[C@H](C)C#N ZINC000054180643 345130436 /nfs/dbraw/zinc/13/04/36/345130436.db2.gz DAURHOFGJRFLMX-GFCCVEGCSA-N 1 1 254.333 3.098 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1ccc(SC)cc1 ZINC000073141696 345432283 /nfs/dbraw/zinc/43/22/83/345432283.db2.gz ZLMZFAYHDSLQND-UHFFFAOYSA-N 1 1 278.421 3.245 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1ccc(SC)cc1 ZINC000073141696 345432287 /nfs/dbraw/zinc/43/22/87/345432287.db2.gz ZLMZFAYHDSLQND-UHFFFAOYSA-N 1 1 278.421 3.245 20 30 CGEDMO C[C@H]1c2ccsc2CC[N@@H+]1CCCSCC#N ZINC000074981048 345488989 /nfs/dbraw/zinc/48/89/89/345488989.db2.gz ITVSUTLGZWAUEQ-NSHDSACASA-N 1 1 266.435 3.314 20 30 CGEDMO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000076494701 345544549 /nfs/dbraw/zinc/54/45/49/345544549.db2.gz ABLJYAKDYKZCKW-GXTWGEPZSA-N 1 1 259.378 3.329 20 30 CGEDMO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000076494701 345544552 /nfs/dbraw/zinc/54/45/52/345544552.db2.gz ABLJYAKDYKZCKW-GXTWGEPZSA-N 1 1 259.378 3.329 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H](C#N)CCC#N ZINC000076496362 345545313 /nfs/dbraw/zinc/54/53/13/345545313.db2.gz UUXJSWDCCWEDQB-KRWDZBQOSA-N 1 1 280.375 3.214 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](C#N)CCC#N ZINC000076496362 345545316 /nfs/dbraw/zinc/54/53/16/345545316.db2.gz UUXJSWDCCWEDQB-KRWDZBQOSA-N 1 1 280.375 3.214 20 30 CGEDMO Cc1[nH+]ccn1CCCNc1cc(C#N)c2ccccc2n1 ZINC000078333682 345600743 /nfs/dbraw/zinc/60/07/43/345600743.db2.gz SYTMTGXNKLAEAL-UHFFFAOYSA-N 1 1 291.358 3.114 20 30 CGEDMO N#CCC[N@@H+](CCCCOc1ccccc1)CC1CC1 ZINC000081045000 345697614 /nfs/dbraw/zinc/69/76/14/345697614.db2.gz TUAAXXBTESGQHE-UHFFFAOYSA-N 1 1 272.392 3.471 20 30 CGEDMO CC(C)CCO[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000083247589 345725848 /nfs/dbraw/zinc/72/58/48/345725848.db2.gz KANBTYBENVWUNH-QGZVFWFLSA-N 1 1 272.392 3.195 20 30 CGEDMO CCC[N@H+]1CC[C@H](CNc2ccc(Cl)cc2C#N)C1 ZINC000091457624 345814952 /nfs/dbraw/zinc/81/49/52/345814952.db2.gz KJCXBZOODUHLON-GFCCVEGCSA-N 1 1 277.799 3.355 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[N@@H+](C)[C@@H](C)C2CC2)c1C#N ZINC000091066179 345802168 /nfs/dbraw/zinc/80/21/68/345802168.db2.gz OMJKIPNVTGVKEJ-AWEZNQCLSA-N 1 1 294.402 3.283 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[N@H+](C)[C@@H](C)C2CC2)c1C#N ZINC000091066179 345802173 /nfs/dbraw/zinc/80/21/73/345802173.db2.gz OMJKIPNVTGVKEJ-AWEZNQCLSA-N 1 1 294.402 3.283 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC2(C)C)cc1OC ZINC000093460352 345879875 /nfs/dbraw/zinc/87/98/75/345879875.db2.gz VLJRSUMTDYFIHO-UHFFFAOYSA-N 1 1 261.365 3.244 20 30 CGEDMO C=C[C@H](C)[NH2+][C@H](C)c1ncc(Br)s1 ZINC000126660804 346025938 /nfs/dbraw/zinc/02/59/38/346025938.db2.gz NNXSPCLMLATKRL-NKWVEPMBSA-N 1 1 261.188 3.131 20 30 CGEDMO C=C[C@@H](C)[NH2+][C@@H](C)c1ncc(Br)s1 ZINC000126660543 346026200 /nfs/dbraw/zinc/02/62/00/346026200.db2.gz NNXSPCLMLATKRL-RQJHMYQMSA-N 1 1 261.188 3.131 20 30 CGEDMO CCO[C@@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135242753 346087069 /nfs/dbraw/zinc/08/70/69/346087069.db2.gz FXSQRLHBXBIRPS-MRXNPFEDSA-N 1 1 286.419 3.489 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000158386657 346164430 /nfs/dbraw/zinc/16/44/30/346164430.db2.gz BJSLFMZFJAWPQR-OAHLLOKOSA-N 1 1 290.455 3.374 20 30 CGEDMO CC(C)[N@@H+](CCc1nccs1)Cc1ccc(C#N)cc1 ZINC000159757152 346168904 /nfs/dbraw/zinc/16/89/04/346168904.db2.gz SKGMEWQDAVEVPQ-UHFFFAOYSA-N 1 1 285.416 3.468 20 30 CGEDMO CCc1ccc(C[NH+]2CCN(CCCCC#N)CC2)s1 ZINC000156813807 346160068 /nfs/dbraw/zinc/16/00/68/346160068.db2.gz MABPEDLYGVIVEI-UHFFFAOYSA-N 1 1 291.464 3.122 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000260052753 346402164 /nfs/dbraw/zinc/40/21/64/346402164.db2.gz OEVPRDGWNFLHFK-LLVKDONJSA-N 1 1 250.292 3.090 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000260052753 346402167 /nfs/dbraw/zinc/40/21/67/346402167.db2.gz OEVPRDGWNFLHFK-LLVKDONJSA-N 1 1 250.292 3.090 20 30 CGEDMO N#CCC[C@H]([NH2+]C1CCN(C2CC2)CC1)c1ccccc1 ZINC000297289601 346434737 /nfs/dbraw/zinc/43/47/37/346434737.db2.gz AIEVAAOEJQDALO-SFHVURJKSA-N 1 1 283.419 3.248 20 30 CGEDMO C[C@@H](CC#N)[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000308821720 346468009 /nfs/dbraw/zinc/46/80/09/346468009.db2.gz CHCZOHDFSDGXDC-QMMMGPOBSA-N 1 1 287.588 3.494 20 30 CGEDMO CC[N@H+](CCC1CCN(CC2(C#N)CC2)CC1)CC1CC1 ZINC000343579741 346505983 /nfs/dbraw/zinc/50/59/83/346505983.db2.gz DSEVRLKSWIZFKZ-UHFFFAOYSA-N 1 1 289.467 3.124 20 30 CGEDMO CC[N@@H+](CCC1CCN(CC2(C#N)CC2)CC1)CC1CC1 ZINC000343579741 346505988 /nfs/dbraw/zinc/50/59/88/346505988.db2.gz DSEVRLKSWIZFKZ-UHFFFAOYSA-N 1 1 289.467 3.124 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1CC1(CC#N)CC1 ZINC000383067676 346561948 /nfs/dbraw/zinc/56/19/48/346561948.db2.gz HNVABTOXKJHBQY-QGZVFWFLSA-N 1 1 297.446 3.277 20 30 CGEDMO C[C@@H]1CN(Cc2ccccc2)CCC[N@@H+]1CC1(CC#N)CC1 ZINC000383067676 346561950 /nfs/dbraw/zinc/56/19/50/346561950.db2.gz HNVABTOXKJHBQY-QGZVFWFLSA-N 1 1 297.446 3.277 20 30 CGEDMO C[C@@H]1CN(Cc2ccccc2)CCC[N@H+]1CC1(CC#N)CC1 ZINC000383067676 346561953 /nfs/dbraw/zinc/56/19/53/346561953.db2.gz HNVABTOXKJHBQY-QGZVFWFLSA-N 1 1 297.446 3.277 20 30 CGEDMO Cc1ccc(Br)cc1C[NH2+][C@@H](C)CC#N ZINC000389916891 346573481 /nfs/dbraw/zinc/57/34/81/346573481.db2.gz NOEMYMHXXOEXRN-JTQLQIEISA-N 1 1 267.170 3.149 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000397656162 346583997 /nfs/dbraw/zinc/58/39/97/346583997.db2.gz FZVSAWNTAGXXBT-LSDHHAIUSA-N 1 1 270.376 3.178 20 30 CGEDMO CC[C@H]1C[N@@H+](CCCCC(C)(C)C#N)[C@H](C)CO1 ZINC000404015605 346598970 /nfs/dbraw/zinc/59/89/70/346598970.db2.gz WKUKSOQALNSBOI-KGLIPLIRSA-N 1 1 252.402 3.206 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CCCCCC#N ZINC000588295267 346759122 /nfs/dbraw/zinc/75/91/22/346759122.db2.gz ALHIJSJDUGRODD-MRXNPFEDSA-N 1 1 293.455 3.231 20 30 CGEDMO CC(C)C[N@@H+](C)CCCN[C@H]1CCc2ccc(C#N)cc21 ZINC000593714873 347106908 /nfs/dbraw/zinc/10/69/08/347106908.db2.gz FEJNWWGAWIRDRB-SFHVURJKSA-N 1 1 285.435 3.113 20 30 CGEDMO Cc1cc(C[N@@H+]2CCC[C@](C)(C#N)C2)cc(C)c1O ZINC000589173189 346787400 /nfs/dbraw/zinc/78/74/00/346787400.db2.gz MWDLZMZBKXZLMF-MRXNPFEDSA-N 1 1 258.365 3.135 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@](C)(C#N)C2)cc(C)c1O ZINC000589173189 346787403 /nfs/dbraw/zinc/78/74/03/346787403.db2.gz MWDLZMZBKXZLMF-MRXNPFEDSA-N 1 1 258.365 3.135 20 30 CGEDMO Cc1cccc2c1CC[C@H]2[NH2+]Cc1nc(C#N)cs1 ZINC000589312608 346793578 /nfs/dbraw/zinc/79/35/78/346793578.db2.gz YEBIOCRXMVRNDN-CQSZACIVSA-N 1 1 269.373 3.100 20 30 CGEDMO N#CCC[N@@H+](CC1CC1)CC1Cc2ccccc2C1 ZINC000589498243 346798734 /nfs/dbraw/zinc/79/87/34/346798734.db2.gz GGYNOJRVTBZLMW-UHFFFAOYSA-N 1 1 254.377 3.027 20 30 CGEDMO N#Cc1c(F)cccc1N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594604354 347201303 /nfs/dbraw/zinc/20/13/03/347201303.db2.gz YOKALNZERDNBQQ-JKSUJKDBSA-N 1 1 273.355 3.126 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594612928 347203742 /nfs/dbraw/zinc/20/37/42/347203742.db2.gz PPFSAIFLBXZKFZ-OAHLLOKOSA-N 1 1 264.413 3.350 20 30 CGEDMO C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1nccn1C ZINC000594516242 347186301 /nfs/dbraw/zinc/18/63/01/347186301.db2.gz BYANRPBBQQIGHU-ZDUSSCGKSA-N 1 1 280.375 3.022 20 30 CGEDMO CCc1cc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)on1 ZINC000594919914 347229613 /nfs/dbraw/zinc/22/96/13/347229613.db2.gz DDULSKLWBDOQPI-UHFFFAOYSA-N 1 1 281.359 3.082 20 30 CGEDMO N#CCC[C@H]([NH2+]Cc1ccnn1CC1CC1)c1ccccc1 ZINC000594948643 347238693 /nfs/dbraw/zinc/23/86/93/347238693.db2.gz AZPZKOXCPKGKRS-SFHVURJKSA-N 1 1 294.402 3.428 20 30 CGEDMO COc1ccccc1CC[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595305218 347289997 /nfs/dbraw/zinc/28/99/97/347289997.db2.gz YUXKDYFASRALSI-UHFFFAOYSA-N 1 1 294.398 3.284 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)cc1 ZINC000595418570 347300276 /nfs/dbraw/zinc/30/02/76/347300276.db2.gz CUMJTRKDVQWZOL-RTBURBONSA-N 1 1 298.430 3.239 20 30 CGEDMO CC(C)(C)[N@@H+]1CC[C@@H](N[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000595057215 347272523 /nfs/dbraw/zinc/27/25/23/347272523.db2.gz VGPXNYAIWGFCHT-SJLPKXTDSA-N 1 1 297.446 3.398 20 30 CGEDMO CC[N@@H+](CCCC(C)(C)C#N)[C@H](C)C(=O)OC(C)(C)C ZINC000595601912 347324333 /nfs/dbraw/zinc/32/43/33/347324333.db2.gz QNFGOIRONTXOGB-CYBMUJFWSA-N 1 1 282.428 3.368 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](CCCOc2ccc(F)cc2)C1 ZINC000595610890 347326302 /nfs/dbraw/zinc/32/63/02/347326302.db2.gz COLFWMIOODBODI-AWEZNQCLSA-N 1 1 276.355 3.220 20 30 CGEDMO C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595611002 347326481 /nfs/dbraw/zinc/32/64/81/347326481.db2.gz FXVWWLSYPAEOPZ-KBPBESRZSA-N 1 1 296.374 3.423 20 30 CGEDMO C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595611002 347326484 /nfs/dbraw/zinc/32/64/84/347326484.db2.gz FXVWWLSYPAEOPZ-KBPBESRZSA-N 1 1 296.374 3.423 20 30 CGEDMO CCCCN(CCCC)C(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595610483 347326606 /nfs/dbraw/zinc/32/66/06/347326606.db2.gz ZRDPKJBZUFEJIF-MRXNPFEDSA-N 1 1 293.455 3.041 20 30 CGEDMO CCCCN(CCCC)C(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595610483 347326608 /nfs/dbraw/zinc/32/66/08/347326608.db2.gz ZRDPKJBZUFEJIF-MRXNPFEDSA-N 1 1 293.455 3.041 20 30 CGEDMO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595612415 347327611 /nfs/dbraw/zinc/32/76/11/347327611.db2.gz WNOIBDFIPDLMAU-CVEARBPZSA-N 1 1 299.418 3.256 20 30 CGEDMO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595612415 347327613 /nfs/dbraw/zinc/32/76/13/347327613.db2.gz WNOIBDFIPDLMAU-CVEARBPZSA-N 1 1 299.418 3.256 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC000595623275 347329757 /nfs/dbraw/zinc/32/97/57/347329757.db2.gz LOZQTRNKXJXZFU-GFCCVEGCSA-N 1 1 256.340 3.438 20 30 CGEDMO COc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)ccc1Cl ZINC000595623321 347329841 /nfs/dbraw/zinc/32/98/41/347329841.db2.gz MKKKTDBASMLXTE-GFCCVEGCSA-N 1 1 278.783 3.474 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@H](CC#N)C2)ccc1Cl ZINC000595623321 347329843 /nfs/dbraw/zinc/32/98/43/347329843.db2.gz MKKKTDBASMLXTE-GFCCVEGCSA-N 1 1 278.783 3.474 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000595659062 347334537 /nfs/dbraw/zinc/33/45/37/347334537.db2.gz JDWAZVLEQDZSSB-CYBMUJFWSA-N 1 1 290.363 3.392 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000595661053 347335161 /nfs/dbraw/zinc/33/51/61/347335161.db2.gz XAARDUGRZMWBMH-GJZGRUSLSA-N 1 1 297.402 3.173 20 30 CGEDMO C[C@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)[C@@H]1CCO ZINC000595690182 347337793 /nfs/dbraw/zinc/33/77/93/347337793.db2.gz WGGQRUZLEGZBNW-JKSUJKDBSA-N 1 1 278.440 3.333 20 30 CGEDMO C=CC[N@H+](Cc1cc(C(=O)OC)oc1C)C(C)(C)C ZINC000595762575 347352585 /nfs/dbraw/zinc/35/25/85/347352585.db2.gz BBRFECKPHCFNQU-UHFFFAOYSA-N 1 1 265.353 3.161 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@H](C)O1 ZINC000595779765 347355023 /nfs/dbraw/zinc/35/50/23/347355023.db2.gz HVYVYINSXFQRAJ-CABCVRRESA-N 1 1 286.419 3.487 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)s1 ZINC000595788019 347356342 /nfs/dbraw/zinc/35/63/42/347356342.db2.gz MBRAWZGICRRTRZ-CJNGLKHVSA-N 1 1 290.432 3.401 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)CCc1ccc(C#N)cc1 ZINC000595432280 347302977 /nfs/dbraw/zinc/30/29/77/347302977.db2.gz YPJIUBFHNZQQKD-UHFFFAOYSA-N 1 1 280.371 3.424 20 30 CGEDMO C[C@]12CC[N@@H+](CCc3ccc(C#N)cc3)C[C@H]1C2(F)F ZINC000595499461 347312447 /nfs/dbraw/zinc/31/24/47/347312447.db2.gz NVLMKWDLHCPIPS-CABCVRRESA-N 1 1 276.330 3.078 20 30 CGEDMO N#Cc1c(C[N@H+]2C[C@@H]3CCCC[C@@H]32)cn2ccccc12 ZINC000595565243 347320291 /nfs/dbraw/zinc/32/02/91/347320291.db2.gz DFVZHNGEMVTHSN-BBRMVZONSA-N 1 1 265.360 3.185 20 30 CGEDMO CCC[N@@H+](CC)C[C@@H](C)Nc1nc2ncccc2cc1C#N ZINC000596236992 347402382 /nfs/dbraw/zinc/40/23/82/347402382.db2.gz UUSNGSJSDMITHY-CYBMUJFWSA-N 1 1 297.406 3.034 20 30 CGEDMO N#Cc1cc(C[NH+]2CCC(c3ccon3)CC2)ccc1F ZINC000595829509 347361960 /nfs/dbraw/zinc/36/19/60/347361960.db2.gz VDNGZRQGJGTKSY-UHFFFAOYSA-N 1 1 285.322 3.065 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000595844393 347366610 /nfs/dbraw/zinc/36/66/10/347366610.db2.gz SNJQUBFINZEKTJ-KRWDZBQOSA-N 1 1 267.376 3.223 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000595844393 347366611 /nfs/dbraw/zinc/36/66/11/347366611.db2.gz SNJQUBFINZEKTJ-KRWDZBQOSA-N 1 1 267.376 3.223 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1ccc(C#N)cc1 ZINC000595845648 347367261 /nfs/dbraw/zinc/36/72/61/347367261.db2.gz RYYXUQMPJNPRAR-CALCHBBNSA-N 1 1 295.386 3.070 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](CC)C(=O)OC(C)(C)C ZINC000595845452 347367566 /nfs/dbraw/zinc/36/75/66/347367566.db2.gz OOKFJPJIROIWFF-HZSPNIEDSA-N 1 1 265.397 3.290 20 30 CGEDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccc(C#N)cc1 ZINC000595856829 347368223 /nfs/dbraw/zinc/36/82/23/347368223.db2.gz FYADWMJNZCICGS-FUCXHRTASA-N 1 1 254.377 3.364 20 30 CGEDMO C[C@H]1C[N@H+](CCCC(C)(C)C#N)C[C@H](CC(F)(F)F)O1 ZINC000595887618 347369990 /nfs/dbraw/zinc/36/99/90/347369990.db2.gz AARRFDRSETWVIO-RYUDHWBXSA-N 1 1 292.345 3.358 20 30 CGEDMO C[C@H]1C[N@@H+](CCCC(C)(C)C#N)C[C@H](CC(F)(F)F)O1 ZINC000595887618 347369992 /nfs/dbraw/zinc/36/99/92/347369992.db2.gz AARRFDRSETWVIO-RYUDHWBXSA-N 1 1 292.345 3.358 20 30 CGEDMO Cc1nc(NC[C@@H]2CC[N@H+]2C(C)(C)C)c(Cl)cc1C#N ZINC000596308744 347414680 /nfs/dbraw/zinc/41/46/80/347414680.db2.gz MSTUQOGKYXUUKK-LBPRGKRZSA-N 1 1 292.814 3.200 20 30 CGEDMO Cc1ccc(C#N)nc1NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000596077340 347380310 /nfs/dbraw/zinc/38/03/10/347380310.db2.gz UKEULXGSGRDKEA-HNNXBMFYSA-N 1 1 286.423 3.328 20 30 CGEDMO C[C@@H](NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(C#N)cc1 ZINC000596097503 347383000 /nfs/dbraw/zinc/38/30/00/347383000.db2.gz YHCUQXDUACGOMI-QAPCUYQASA-N 1 1 297.446 3.331 20 30 CGEDMO C[C@@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(C#N)cc1 ZINC000596097503 347383003 /nfs/dbraw/zinc/38/30/03/347383003.db2.gz YHCUQXDUACGOMI-QAPCUYQASA-N 1 1 297.446 3.331 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc3cnccc3c2)C1 ZINC000597175519 347544499 /nfs/dbraw/zinc/54/44/99/347544499.db2.gz BJPZPQVATHBXCM-AWEZNQCLSA-N 1 1 265.360 3.360 20 30 CGEDMO CC(C)[N@@H+](Cc1cnn2c1CCC2)Cc1ccc(C#N)cc1 ZINC000596978767 347523838 /nfs/dbraw/zinc/52/38/38/347523838.db2.gz CBLDFISRXRWNBC-UHFFFAOYSA-N 1 1 294.402 3.112 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)cc(C)c1O ZINC000597176942 347545098 /nfs/dbraw/zinc/54/50/98/347545098.db2.gz JTVDIJLPLPQKET-AWEZNQCLSA-N 1 1 258.365 3.135 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC000597177494 347545419 /nfs/dbraw/zinc/54/54/19/347545419.db2.gz NDLDVKXSMIOJBV-CQSZACIVSA-N 1 1 254.377 3.301 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000597086526 347535904 /nfs/dbraw/zinc/53/59/04/347535904.db2.gz MRWYWYSWMRPMPZ-OAHLLOKOSA-N 1 1 253.349 3.024 20 30 CGEDMO CCc1nocc1C[N@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597136334 347539178 /nfs/dbraw/zinc/53/91/78/347539178.db2.gz VJTPKWBHABUZHR-UHFFFAOYSA-N 1 1 295.386 3.424 20 30 CGEDMO CCc1nocc1C[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597136334 347539182 /nfs/dbraw/zinc/53/91/82/347539182.db2.gz VJTPKWBHABUZHR-UHFFFAOYSA-N 1 1 295.386 3.424 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000597172658 347543501 /nfs/dbraw/zinc/54/35/01/347543501.db2.gz CSIXUPPLZWGWKY-CQSZACIVSA-N 1 1 280.375 3.202 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000597172658 347543503 /nfs/dbraw/zinc/54/35/03/347543503.db2.gz CSIXUPPLZWGWKY-CQSZACIVSA-N 1 1 280.375 3.202 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000597173571 347543625 /nfs/dbraw/zinc/54/36/25/347543625.db2.gz KFICZMWECNGUFY-GBXSZLQWSA-N 1 1 285.347 3.234 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](Cc2ccc3c(c2)CCCC3)C1 ZINC000597232302 347559981 /nfs/dbraw/zinc/55/99/81/347559981.db2.gz SQUQKAXIRUDEDK-KRWDZBQOSA-N 1 1 254.377 3.301 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](Cc2ccc3c(c2)CCCC3)C1 ZINC000597232302 347559985 /nfs/dbraw/zinc/55/99/85/347559985.db2.gz SQUQKAXIRUDEDK-KRWDZBQOSA-N 1 1 254.377 3.301 20 30 CGEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@](C)(C#N)C1 ZINC000597231702 347560159 /nfs/dbraw/zinc/56/01/59/347560159.db2.gz ZYWJLUMMPSEOCS-LJQANCHMSA-N 1 1 299.462 3.380 20 30 CGEDMO CC1(C)CC[C@@H](CO)[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000598646727 347675010 /nfs/dbraw/zinc/67/50/10/347675010.db2.gz ARTLOGUNMCBDIG-HNNXBMFYSA-N 1 1 278.440 3.333 20 30 CGEDMO CC[C@H](C)[C@H](C)[N@@H+](C[C@H](O)CC(C)(C)C#N)C1CC1 ZINC000598589306 347667893 /nfs/dbraw/zinc/66/78/93/347667893.db2.gz HXHQPLDYOIXXOQ-KCQAQPDRSA-N 1 1 266.429 3.186 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000598594461 347668544 /nfs/dbraw/zinc/66/85/44/347668544.db2.gz KHYOWGYPIYSFDS-WMZOPIPTSA-N 1 1 298.430 3.439 20 30 CGEDMO CCC[C@@H]1[C@H](C)CCC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598597973 347669325 /nfs/dbraw/zinc/66/93/25/347669325.db2.gz LBDSHIYANUEAET-RBSFLKMASA-N 1 1 266.429 3.188 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000598596540 347669394 /nfs/dbraw/zinc/66/93/94/347669394.db2.gz SMZDYLQVMZIZSA-CABCVRRESA-N 1 1 292.810 3.388 20 30 CGEDMO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598618442 347671209 /nfs/dbraw/zinc/67/12/09/347671209.db2.gz YGLYPPYELWZKEN-QLFBSQMISA-N 1 1 280.456 3.434 20 30 CGEDMO Cc1cccc(C[N@@H+](C)C[C@H](O)CC(C)(C)C#N)c1C ZINC000598616691 347671609 /nfs/dbraw/zinc/67/16/09/347671609.db2.gz DXLXVAWODYJPHM-MRXNPFEDSA-N 1 1 274.408 3.036 20 30 CGEDMO Cc1cc(C)cc(C[N@@H+](C)C[C@@H](O)CC(C)(C)C#N)c1 ZINC000598611651 347671653 /nfs/dbraw/zinc/67/16/53/347671653.db2.gz VMKZBPAQNYPNCU-INIZCTEOSA-N 1 1 274.408 3.036 20 30 CGEDMO Cc1ccc(C[N@@H+](C)C2CCN(C(C)C)CC2)cc1C#N ZINC000599279434 347731733 /nfs/dbraw/zinc/73/17/33/347731733.db2.gz OQHQJKRHZPPSBH-UHFFFAOYSA-N 1 1 285.435 3.171 20 30 CGEDMO Cc1ccc(C[N@H+](C)C2CCN(C(C)C)CC2)cc1C#N ZINC000599279434 347731737 /nfs/dbraw/zinc/73/17/37/347731737.db2.gz OQHQJKRHZPPSBH-UHFFFAOYSA-N 1 1 285.435 3.171 20 30 CGEDMO Cc1ccc(C[N@H+]2CCOC[C@@H]2CC(C)C)cc1C#N ZINC000599295030 347732309 /nfs/dbraw/zinc/73/23/09/347732309.db2.gz JKJUASOZRWYWJC-KRWDZBQOSA-N 1 1 272.392 3.114 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCOC[C@@H]2CC(C)C)cc1C#N ZINC000599295030 347732311 /nfs/dbraw/zinc/73/23/11/347732311.db2.gz JKJUASOZRWYWJC-KRWDZBQOSA-N 1 1 272.392 3.114 20 30 CGEDMO Cc1ccc(C[N@H+](C)CCCOC(C)C)cc1C#N ZINC000599298441 347733891 /nfs/dbraw/zinc/73/38/91/347733891.db2.gz SLSRXLSYOXCYDD-UHFFFAOYSA-N 1 1 260.381 3.114 20 30 CGEDMO Cc1ccc(C[N@H+](C)[C@H](C)c2ccccn2)cc1C#N ZINC000599348177 347738432 /nfs/dbraw/zinc/73/84/32/347738432.db2.gz MTVORXKAXHNBBB-CQSZACIVSA-N 1 1 265.360 3.455 20 30 CGEDMO COC[C@H]1CCCC[N@@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599366575 347740461 /nfs/dbraw/zinc/74/04/61/347740461.db2.gz UJNSGHHTBVCNIR-INIZCTEOSA-N 1 1 272.392 3.115 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCO[C@@H](C(C)(C)C)C2)cc1C#N ZINC000599393025 347741177 /nfs/dbraw/zinc/74/11/77/347741177.db2.gz BESVZLDIBKCWPK-MRXNPFEDSA-N 1 1 272.392 3.114 20 30 CGEDMO Cc1ccc(C[N@H+]2CCO[C@@H](C(C)(C)C)C2)cc1C#N ZINC000599393025 347741179 /nfs/dbraw/zinc/74/11/79/347741179.db2.gz BESVZLDIBKCWPK-MRXNPFEDSA-N 1 1 272.392 3.114 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCSCC[C@H]2C)cc1C#N ZINC000599383954 347741568 /nfs/dbraw/zinc/74/15/68/347741568.db2.gz CSAWZBDPBBOGEU-CYBMUJFWSA-N 1 1 260.406 3.194 20 30 CGEDMO Cc1ccc(C[NH2+][C@@H](C)c2c(F)cncc2F)cc1C#N ZINC000599416332 347742858 /nfs/dbraw/zinc/74/28/58/347742858.db2.gz IBPNKDYLIQWSHO-NSHDSACASA-N 1 1 287.313 3.391 20 30 CGEDMO Cc1ncc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)o1 ZINC000600110765 347780242 /nfs/dbraw/zinc/78/02/42/347780242.db2.gz CQEMMDUAQOPMNS-UHFFFAOYSA-N 1 1 267.332 3.019 20 30 CGEDMO Cc1ncc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)o1 ZINC000600110765 347780244 /nfs/dbraw/zinc/78/02/44/347780244.db2.gz CQEMMDUAQOPMNS-UHFFFAOYSA-N 1 1 267.332 3.019 20 30 CGEDMO CCO[C@H]1CC[N@@H+](Cc2ccc(C)c(C#N)c2)C[C@H]1C ZINC000599434220 347744905 /nfs/dbraw/zinc/74/49/05/347744905.db2.gz VDZQIVSQLBQSPH-PBHICJAKSA-N 1 1 272.392 3.114 20 30 CGEDMO CCOC[C@@H]1CCCC[N@H+]1Cc1ccc(C)c(C#N)c1 ZINC000599437760 347745709 /nfs/dbraw/zinc/74/57/09/347745709.db2.gz MASWKBKSVWGCMF-KRWDZBQOSA-N 1 1 272.392 3.258 20 30 CGEDMO Cc1ccc(C[N@H+]2C[C@@H](C)OC3(CCC3)C2)cc1C#N ZINC000599452921 347746097 /nfs/dbraw/zinc/74/60/97/347746097.db2.gz ZDVROQGLSMHQAB-CQSZACIVSA-N 1 1 270.376 3.010 20 30 CGEDMO Cc1ccc(C[N@@H+]2C[C@@H](C)OC3(CCC3)C2)cc1C#N ZINC000599452921 347746099 /nfs/dbraw/zinc/74/60/99/347746099.db2.gz ZDVROQGLSMHQAB-CQSZACIVSA-N 1 1 270.376 3.010 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)C[C@]1(C)CCCS1 ZINC000600109734 347780401 /nfs/dbraw/zinc/78/04/01/347780401.db2.gz PCNHLZGLKJGJLR-HNNXBMFYSA-N 1 1 260.406 3.276 20 30 CGEDMO N#Cc1cccc(OCCC[N@@H+]2CCCC(F)(F)CC2)c1 ZINC000599551369 347753602 /nfs/dbraw/zinc/75/36/02/347753602.db2.gz LWMGTUHZHQKXEM-UHFFFAOYSA-N 1 1 294.345 3.448 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)s1 ZINC000599553388 347754326 /nfs/dbraw/zinc/75/43/26/347754326.db2.gz SBUORMOWWSIIIR-PWSUYJOCSA-N 1 1 264.419 3.090 20 30 CGEDMO N#Cc1ccc(C[NH+]2CC(Cc3cccs3)C2)cc1F ZINC000600215475 347794780 /nfs/dbraw/zinc/79/47/80/347794780.db2.gz LVGGNZCOHHJLIR-UHFFFAOYSA-N 1 1 286.375 3.433 20 30 CGEDMO C[N@H+]1CC[C@@H](Nc2cccc(CC#N)c2)CC1(C)C ZINC000600169323 347788500 /nfs/dbraw/zinc/78/85/00/347788500.db2.gz RBHRUVASUYXHLY-OAHLLOKOSA-N 1 1 257.381 3.037 20 30 CGEDMO CCc1ccccc1NC(=O)C[N@@H+](C)C[C@@H](C)CCC#N ZINC000602432964 347956849 /nfs/dbraw/zinc/95/68/49/347956849.db2.gz KKVBBIJLGPQHOP-AWEZNQCLSA-N 1 1 287.407 3.059 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)n1)[C@@H]1CCc2ccccc21 ZINC000602434426 347957140 /nfs/dbraw/zinc/95/71/40/347957140.db2.gz DTIPALBRZBIJJJ-QGZVFWFLSA-N 1 1 263.344 3.073 20 30 CGEDMO CC[N@@H+](Cc1ccc(C)cc1)Cc1cccc(C#N)n1 ZINC000602439827 347958062 /nfs/dbraw/zinc/95/80/62/347958062.db2.gz LINLXXPQBCAWPX-UHFFFAOYSA-N 1 1 265.360 3.284 20 30 CGEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(=O)[nH]c1 ZINC000602445219 347959176 /nfs/dbraw/zinc/95/91/76/347959176.db2.gz SBYDVZFCQUEKEJ-UHFFFAOYSA-N 1 1 295.386 3.317 20 30 CGEDMO CC[N@@H+](Cc1cccc(C#N)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000602443227 347959261 /nfs/dbraw/zinc/95/92/61/347959261.db2.gz HTSGBVWJJCMSHO-AWEZNQCLSA-N 1 1 290.370 3.408 20 30 CGEDMO COCC[N@@H+](CCc1ccccc1)C[C@@H](C)CCC#N ZINC000602444792 347959286 /nfs/dbraw/zinc/95/92/86/347959286.db2.gz OPADYGUBSAWWNF-INIZCTEOSA-N 1 1 274.408 3.117 20 30 CGEDMO COc1cc2c(cc1OC)[C@H]([N@H+](CCC#N)C(C)C)CC2 ZINC000602448169 347960044 /nfs/dbraw/zinc/96/00/44/347960044.db2.gz NATIEXDWMALWNO-OAHLLOKOSA-N 1 1 288.391 3.315 20 30 CGEDMO COc1cc2c(cc1OC)[C@H]([N@@H+](CCC#N)C(C)C)CC2 ZINC000602448169 347960048 /nfs/dbraw/zinc/96/00/48/347960048.db2.gz NATIEXDWMALWNO-OAHLLOKOSA-N 1 1 288.391 3.315 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000602457245 347960783 /nfs/dbraw/zinc/96/07/83/347960783.db2.gz CKGHDAQKIDAKOK-VYDXJSESSA-N 1 1 272.392 3.388 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000602453952 347961095 /nfs/dbraw/zinc/96/10/95/347961095.db2.gz LKQQVJZTFCTJJO-XJKSGUPXSA-N 1 1 258.365 3.469 20 30 CGEDMO COc1c(C)cc(C[N@@H+](C)Cc2cccc(C#N)n2)cc1C ZINC000602461727 347961891 /nfs/dbraw/zinc/96/18/91/347961891.db2.gz DLIOMTDURQVQPW-UHFFFAOYSA-N 1 1 295.386 3.211 20 30 CGEDMO C[C@@H](C[N@@H+](C)Cc1cccc(C#N)n1)c1ccccc1 ZINC000602459868 347962275 /nfs/dbraw/zinc/96/22/75/347962275.db2.gz VPQSEZPAVVAPHH-AWEZNQCLSA-N 1 1 265.360 3.189 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)C[C@@H](OC)C1CCOCC1 ZINC000602466462 347962869 /nfs/dbraw/zinc/96/28/69/347962869.db2.gz WVIZKOOOOPGKSS-QGZVFWFLSA-N 1 1 296.455 3.080 20 30 CGEDMO CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602469854 347963744 /nfs/dbraw/zinc/96/37/44/347963744.db2.gz FHYJMUWVVBXECK-GOSISDBHSA-N 1 1 277.371 3.463 20 30 CGEDMO CC1(C)C[N@H+](Cc2cccc(C#N)n2)Cc2ccccc21 ZINC000602469200 347964263 /nfs/dbraw/zinc/96/42/63/347964263.db2.gz BSNQLLBELIMRGM-UHFFFAOYSA-N 1 1 277.371 3.247 20 30 CGEDMO CC1(C)C[N@@H+](Cc2cccc(C#N)n2)Cc2ccccc21 ZINC000602469200 347964267 /nfs/dbraw/zinc/96/42/67/347964267.db2.gz BSNQLLBELIMRGM-UHFFFAOYSA-N 1 1 277.371 3.247 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)n1 ZINC000602473746 347964809 /nfs/dbraw/zinc/96/48/09/347964809.db2.gz WQVWBPHBIXCWPS-OAHLLOKOSA-N 1 1 295.361 3.157 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)CCOCc1ccccc1 ZINC000602483967 347966827 /nfs/dbraw/zinc/96/68/27/347966827.db2.gz KNGMKELTBDHDDR-OAHLLOKOSA-N 1 1 260.381 3.075 20 30 CGEDMO C[C@@H](CCC#N)C[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000602523288 347975359 /nfs/dbraw/zinc/97/53/59/347975359.db2.gz AGPFUCVDRFEXGA-HKUYNNGSSA-N 1 1 299.462 3.428 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](CCN(C)C)Cc1ccc(F)cc1 ZINC000602657622 348002921 /nfs/dbraw/zinc/00/29/21/348002921.db2.gz OXARLVZJMNKZHP-OAHLLOKOSA-N 1 1 291.414 3.129 20 30 CGEDMO C[C@H](CCC#N)CN(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000602657622 348002923 /nfs/dbraw/zinc/00/29/23/348002923.db2.gz OXARLVZJMNKZHP-OAHLLOKOSA-N 1 1 291.414 3.129 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000602659224 348002949 /nfs/dbraw/zinc/00/29/49/348002949.db2.gz PVZQYRMDFINYGT-HOCLYGCPSA-N 1 1 260.356 3.497 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCSC2(CCC2)CC1 ZINC000602694598 348010807 /nfs/dbraw/zinc/01/08/07/348010807.db2.gz JQRPNINKRDCRTQ-ZDUSSCGKSA-N 1 1 252.427 3.288 20 30 CGEDMO N#Cc1cccc(C[NH2+]C2(c3ccccc3F)CCC2)n1 ZINC000602700167 348012969 /nfs/dbraw/zinc/01/29/69/348012969.db2.gz LHLZTOGZHKXWMT-UHFFFAOYSA-N 1 1 281.334 3.261 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000602729397 348019948 /nfs/dbraw/zinc/01/99/48/348019948.db2.gz JYPJCMHIIHNKTJ-AWEZNQCLSA-N 1 1 267.376 3.051 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](O)C[C@@H]2c2ccccc2)c1 ZINC000602733592 348021020 /nfs/dbraw/zinc/02/10/20/348021020.db2.gz WIFBYHLDWLIFFN-RTBURBONSA-N 1 1 292.382 3.256 20 30 CGEDMO C[C@@H]1C[N@H+](CC2(CC#N)CC2)C[C@H](c2ccccc2)O1 ZINC000602761887 348024584 /nfs/dbraw/zinc/02/45/84/348024584.db2.gz BSLRPBMKTBPWHV-GDBMZVCRSA-N 1 1 270.376 3.142 20 30 CGEDMO C[C@@H]1C[N@@H+](CC2(CC#N)CC2)C[C@H](c2ccccc2)O1 ZINC000602761887 348024586 /nfs/dbraw/zinc/02/45/86/348024586.db2.gz BSLRPBMKTBPWHV-GDBMZVCRSA-N 1 1 270.376 3.142 20 30 CGEDMO N#CCC1(C[NH+]2CCN(C/C=C/c3ccccc3)CC2)CC1 ZINC000602762116 348024797 /nfs/dbraw/zinc/02/47/97/348024797.db2.gz IHIGNKPYEIISCB-QPJJXVBHSA-N 1 1 295.430 3.011 20 30 CGEDMO CC[N@@H+](Cc1ccc(OC)cc1)CC1(CC#N)CC1 ZINC000602764718 348025172 /nfs/dbraw/zinc/02/51/72/348025172.db2.gz HNEZOJFZMXCACN-UHFFFAOYSA-N 1 1 258.365 3.211 20 30 CGEDMO N#CCC1(C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)CC1 ZINC000602766426 348025617 /nfs/dbraw/zinc/02/56/17/348025617.db2.gz JOJLGWNWWAHMGN-AWEZNQCLSA-N 1 1 290.432 3.423 20 30 CGEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCO[C@@H]1C ZINC000602770102 348026547 /nfs/dbraw/zinc/02/65/47/348026547.db2.gz VRNQMXCJRNLCHS-RHSMWYFYSA-N 1 1 272.392 3.194 20 30 CGEDMO CCC[N@@H+](CC1(CC#N)CC1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000602778497 348027209 /nfs/dbraw/zinc/02/72/09/348027209.db2.gz IFFWPZIWVMAHJG-RBSFLKMASA-N 1 1 276.424 3.206 20 30 CGEDMO C[C@@H]1C[N@H+](CC[C@@H]2CCc3ccccc32)C[C@H](C)N1CC#N ZINC000602848193 348036117 /nfs/dbraw/zinc/03/61/17/348036117.db2.gz FIUZURJLSAYJSZ-JZXOWHBKSA-N 1 1 297.446 3.025 20 30 CGEDMO C[C@H](CC#N)[NH2+]CCOc1cc(Cl)cc(Cl)c1 ZINC000602864142 348038405 /nfs/dbraw/zinc/03/84/05/348038405.db2.gz QXXLRBPCZONPGJ-SECBINFHSA-N 1 1 273.163 3.264 20 30 CGEDMO COc1ccc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)cc1Cl ZINC000602979175 348050202 /nfs/dbraw/zinc/05/02/02/348050202.db2.gz ARASORZOOLUJOF-GXTWGEPZSA-N 1 1 278.783 3.473 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)cc1Cl ZINC000602979175 348050204 /nfs/dbraw/zinc/05/02/04/348050204.db2.gz ARASORZOOLUJOF-GXTWGEPZSA-N 1 1 278.783 3.473 20 30 CGEDMO N#Cc1ccc(NC(=O)C[N@@H+](C2CC2)C2CCCCC2)cc1 ZINC000603875014 348101296 /nfs/dbraw/zinc/10/12/96/348101296.db2.gz HYANWEATIWHUHT-UHFFFAOYSA-N 1 1 297.402 3.294 20 30 CGEDMO CC(C)(C)Oc1ccc(C[NH2+]C[C@H](C#N)CCC#N)cc1 ZINC000604436880 348120109 /nfs/dbraw/zinc/12/01/09/348120109.db2.gz NWJPPEGCABUZHQ-HNNXBMFYSA-N 1 1 285.391 3.397 20 30 CGEDMO COCc1cc(C[NH2+][C@@H](CCCC#N)c2ccccc2)no1 ZINC000603429517 348082942 /nfs/dbraw/zinc/08/29/42/348082942.db2.gz RAYKMUYYVMRLBI-KRWDZBQOSA-N 1 1 299.374 3.346 20 30 CGEDMO CC#CC[N@@H+](C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000607728178 348258428 /nfs/dbraw/zinc/25/84/28/348258428.db2.gz NGTRLBNAYCYJQX-SJORKVTESA-N 1 1 257.377 3.109 20 30 CGEDMO N#Cc1ccc(OCC[N@H+]2CCCc3sccc3C2)cc1 ZINC000609323047 348342132 /nfs/dbraw/zinc/34/21/32/348342132.db2.gz RJMUSQNGXNBVIV-UHFFFAOYSA-N 1 1 298.411 3.447 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CC(C)(C)OCC1(C)C ZINC000610453338 348383352 /nfs/dbraw/zinc/38/33/52/348383352.db2.gz PSMWQHQVWHTFAP-UHFFFAOYSA-N 1 1 252.402 3.206 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H](CCO)C1 ZINC000610859516 348407302 /nfs/dbraw/zinc/40/73/02/348407302.db2.gz FGJZJDNJSRORPC-OAHLLOKOSA-N 1 1 286.419 3.082 20 30 CGEDMO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1ccnc(C#N)c1 ZINC000610993190 348415345 /nfs/dbraw/zinc/41/53/45/348415345.db2.gz GONDKDSSWZQFJF-XJKSGUPXSA-N 1 1 295.361 3.470 20 30 CGEDMO C[C@H]1C[N@H+](Cc2ccnc(C#N)c2)[C@H]1c1ccccc1 ZINC000610994263 348415983 /nfs/dbraw/zinc/41/59/83/348415983.db2.gz AFBCQRQFLWGMLU-SUMWQHHRSA-N 1 1 263.344 3.146 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccnc(C#N)c2)[C@H]1c1ccccc1 ZINC000610994263 348415985 /nfs/dbraw/zinc/41/59/85/348415985.db2.gz AFBCQRQFLWGMLU-SUMWQHHRSA-N 1 1 263.344 3.146 20 30 CGEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2ccnc(C#N)c2)C1 ZINC000610993969 348416741 /nfs/dbraw/zinc/41/67/41/348416741.db2.gz OUBHEHMPSZYDHZ-LSDHHAIUSA-N 1 1 275.421 3.059 20 30 CGEDMO C[C@@H](c1ccco1)[N@H+](Cc1ccnc(C#N)c1)C1CC1 ZINC000610995151 348417801 /nfs/dbraw/zinc/41/78/01/348417801.db2.gz PMFCUWCJXPGJPN-LBPRGKRZSA-N 1 1 267.332 3.272 20 30 CGEDMO C[C@@H](c1ccco1)[N@@H+](Cc1ccnc(C#N)c1)C1CC1 ZINC000610995151 348417803 /nfs/dbraw/zinc/41/78/03/348417803.db2.gz PMFCUWCJXPGJPN-LBPRGKRZSA-N 1 1 267.332 3.272 20 30 CGEDMO COCC[N@H+](CCC#N)CCC1C[C@H](C)C[C@@H](C)C1 ZINC000610681989 348395856 /nfs/dbraw/zinc/39/58/56/348395856.db2.gz GUJQHZNWDHVGFI-HUUCEWRRSA-N 1 1 266.429 3.311 20 30 CGEDMO COCC[N@@H+](CCC#N)CCC1C[C@H](C)C[C@@H](C)C1 ZINC000610681989 348395858 /nfs/dbraw/zinc/39/58/58/348395858.db2.gz GUJQHZNWDHVGFI-HUUCEWRRSA-N 1 1 266.429 3.311 20 30 CGEDMO CC[N@@H+](CCC(F)(F)F)Cc1ccc(F)c(C#N)c1 ZINC000610719288 348399126 /nfs/dbraw/zinc/39/91/26/348399126.db2.gz QBOLJPQFDHSIOS-UHFFFAOYSA-N 1 1 274.261 3.472 20 30 CGEDMO N#Cc1cccc(OCCC[N@H+]2CCC[C@@H]2C2CC2)c1 ZINC000610786299 348403290 /nfs/dbraw/zinc/40/32/90/348403290.db2.gz VXGVBLARVASLNJ-QGZVFWFLSA-N 1 1 270.376 3.202 20 30 CGEDMO CCC[N@H+](CC)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000611346261 348440114 /nfs/dbraw/zinc/44/01/14/348440114.db2.gz JAVZGLBDCGJJHM-UHFFFAOYSA-N 1 1 282.391 3.284 20 30 CGEDMO CCC[N@@H+](CC)Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000611346261 348440117 /nfs/dbraw/zinc/44/01/17/348440117.db2.gz JAVZGLBDCGJJHM-UHFFFAOYSA-N 1 1 282.391 3.284 20 30 CGEDMO CCc1cc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)on1 ZINC000611393204 348445930 /nfs/dbraw/zinc/44/59/30/348445930.db2.gz OMWJWFPEULVVCL-QGZVFWFLSA-N 1 1 281.359 3.276 20 30 CGEDMO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1CCCSCC#N ZINC000611554390 348460340 /nfs/dbraw/zinc/46/03/40/348460340.db2.gz NFBHVCVVUCCZDU-MNOVXSKESA-N 1 1 280.359 3.296 20 30 CGEDMO N#C[C@@H]1CCC[C@H]([NH2+]Cc2c(F)c(F)cc(F)c2F)C1 ZINC000613255549 348581452 /nfs/dbraw/zinc/58/14/52/348581452.db2.gz YKZHNRXIKNOJMA-BDAKNGLRSA-N 1 1 286.272 3.415 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)[C@@H](C)CO1 ZINC000614160055 348653425 /nfs/dbraw/zinc/65/34/25/348653425.db2.gz LVPDHCNXJXYEPX-KBPBESRZSA-N 1 1 272.392 3.097 20 30 CGEDMO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614159838 348653453 /nfs/dbraw/zinc/65/34/53/348653453.db2.gz SJXKELGYSRKDII-YOEHRIQHSA-N 1 1 286.419 3.487 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCOCC3(CCCC3)C2)c1F ZINC000614222808 348660060 /nfs/dbraw/zinc/66/00/60/348660060.db2.gz FUOBCFXXWHINMN-UHFFFAOYSA-N 1 1 288.366 3.090 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCOCC3(CCCC3)C2)c1F ZINC000614222808 348660065 /nfs/dbraw/zinc/66/00/65/348660065.db2.gz FUOBCFXXWHINMN-UHFFFAOYSA-N 1 1 288.366 3.090 20 30 CGEDMO COc1cc(C)c([C@@H](C)[N@H+](C)C[C@@H](C)C#N)cc1C ZINC000614530579 348681990 /nfs/dbraw/zinc/68/19/90/348681990.db2.gz ACZIVDCMQUTCSC-SMDDNHRTSA-N 1 1 260.381 3.465 20 30 CGEDMO COc1cc(C)c([C@@H](C)[N@@H+](C)C[C@@H](C)C#N)cc1C ZINC000614530579 348681993 /nfs/dbraw/zinc/68/19/93/348681993.db2.gz ACZIVDCMQUTCSC-SMDDNHRTSA-N 1 1 260.381 3.465 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000614962863 348703141 /nfs/dbraw/zinc/70/31/41/348703141.db2.gz KBKCFMGMLPXXAO-RHSMWYFYSA-N 1 1 280.375 3.153 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(N(C)C)nc1 ZINC000614963346 348704165 /nfs/dbraw/zinc/70/41/65/348704165.db2.gz AFJCUAIRNUHUGB-CQSZACIVSA-N 1 1 294.402 3.212 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC12CCOCC2 ZINC000618318420 349068800 /nfs/dbraw/zinc/06/88/00/349068800.db2.gz YRCIMMISYYOWGB-UHFFFAOYSA-N 1 1 284.403 3.243 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2scnc2C2CC2)c(F)c1 ZINC000618723632 349149666 /nfs/dbraw/zinc/14/96/66/349149666.db2.gz BMWCURJOFRLAIL-UHFFFAOYSA-N 1 1 287.363 3.321 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000618887192 349175254 /nfs/dbraw/zinc/17/52/54/349175254.db2.gz LNLGVFDOCCYLEW-CJNGLKHVSA-N 1 1 276.355 3.139 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCO[C@H](c2cccc(F)c2)C1 ZINC000618887192 349175257 /nfs/dbraw/zinc/17/52/57/349175257.db2.gz LNLGVFDOCCYLEW-CJNGLKHVSA-N 1 1 276.355 3.139 20 30 CGEDMO CCn1ccc(C[N@@H+](C)Cc2ccc(C#N)c(OC)c2)c1 ZINC000619674838 349269863 /nfs/dbraw/zinc/26/98/63/349269863.db2.gz FLOPTSMCUHYIFW-UHFFFAOYSA-N 1 1 283.375 3.020 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)CCC1 ZINC000620781309 349422726 /nfs/dbraw/zinc/42/27/26/349422726.db2.gz LYRFEPQFXIBJLW-KRWDZBQOSA-N 1 1 298.430 3.124 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CC(=O)N(C)[C@H](C)c2ccccc2)C1 ZINC000625703204 350199975 /nfs/dbraw/zinc/19/99/75/350199975.db2.gz YZCGKACIAGWMMF-HZPDHXFCSA-N 1 1 286.419 3.104 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N[C@H](C)c1ccccc1 ZINC000625558132 350184220 /nfs/dbraw/zinc/18/42/20/350184220.db2.gz MAOOZGURTAYELY-OIISXLGYSA-N 1 1 284.403 3.047 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](CC(=O)c2c[nH]c3ccccc23)C1 ZINC000625705687 350200823 /nfs/dbraw/zinc/20/08/23/350200823.db2.gz XEWQOVGTUFCOGB-CYBMUJFWSA-N 1 1 268.360 3.249 20 30 CGEDMO C=CCC1([NH2+]Cc2noc(CCC)n2)CCCCC1 ZINC000625936396 350233963 /nfs/dbraw/zinc/23/39/63/350233963.db2.gz KQMLIYJLRRTSSN-UHFFFAOYSA-N 1 1 263.385 3.391 20 30 CGEDMO C=CCC[C@H](NC(=O)Cn1c[nH+]cc1C)c1ccccc1 ZINC000626216158 350284121 /nfs/dbraw/zinc/28/41/21/350284121.db2.gz GORWZYNSDJPYTQ-INIZCTEOSA-N 1 1 283.375 3.015 20 30 CGEDMO C=CC[N@H+](C[C@@H](O)c1ccccc1Br)C1CC1 ZINC000271372013 191103076 /nfs/dbraw/zinc/10/30/76/191103076.db2.gz HAAXOBMWRYPEBM-CQSZACIVSA-N 1 1 296.208 3.133 20 30 CGEDMO C=CC[N@H+](CCC(=O)Nc1ccc(OCC)cc1)C1CC1 ZINC000271375373 191105473 /nfs/dbraw/zinc/10/54/73/191105473.db2.gz HQDGWZWSQSFORY-UHFFFAOYSA-N 1 1 288.391 3.064 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2c[nH]nc2-c2cccc(OC)c2)C1 ZINC000628405318 350528334 /nfs/dbraw/zinc/52/83/34/350528334.db2.gz JDOCNEUARBOWNE-AWEZNQCLSA-N 1 1 297.402 3.483 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cnc3ccc(C)cn23)C1 ZINC000628405549 350529699 /nfs/dbraw/zinc/52/96/99/350529699.db2.gz OEBPBZBFGKZLCN-CQSZACIVSA-N 1 1 255.365 3.041 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000628543642 350573370 /nfs/dbraw/zinc/57/33/70/350573370.db2.gz BBPKVTLQJLWEDZ-OAHLLOKOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C1CC(C)(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000630747500 350882654 /nfs/dbraw/zinc/88/26/54/350882654.db2.gz SKVUEJSUYOQARF-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO COc1cc(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)ccc1C#N ZINC000291712591 198067899 /nfs/dbraw/zinc/06/78/99/198067899.db2.gz ZZXYWPNXLSCIKV-QGZVFWFLSA-N 1 1 282.387 3.331 20 30 CGEDMO CCCc1nc(C)c(C[NH2+]Cc2ccc(C#N)cc2)o1 ZINC000291772548 198087162 /nfs/dbraw/zinc/08/71/62/198087162.db2.gz SZOIMSNKWMGCCM-UHFFFAOYSA-N 1 1 269.348 3.097 20 30 CGEDMO Cc1nc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)ccc1C#N ZINC000291900738 198100398 /nfs/dbraw/zinc/10/03/98/198100398.db2.gz KDGMIFDPVNEHHQ-FUHWJXTLSA-N 1 1 292.386 3.119 20 30 CGEDMO CCc1nc(C)c(C[NH2+][C@@H](C)c2ccc(C#N)cc2)o1 ZINC000291974888 198122096 /nfs/dbraw/zinc/12/20/96/198122096.db2.gz UMNCLCGKDDTUHP-NSHDSACASA-N 1 1 269.348 3.268 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCCOC(C)(C)C1 ZINC000365412197 234101396 /nfs/dbraw/zinc/10/13/96/234101396.db2.gz MCRHPYZVTYXWNV-CYBMUJFWSA-N 1 1 258.365 3.120 20 30 CGEDMO CSC[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000292120422 198171218 /nfs/dbraw/zinc/17/12/18/198171218.db2.gz AJHIBRUFNPILSN-CYBMUJFWSA-N 1 1 278.396 3.272 20 30 CGEDMO C=CC[N@H+](C)Cc1cccc(OCC)c1OC(F)F ZINC000154794578 188162402 /nfs/dbraw/zinc/16/24/02/188162402.db2.gz XFXBYECCZCCCPE-UHFFFAOYSA-N 1 1 271.307 3.305 20 30 CGEDMO C[C@H]1C[C@@H]([N@@H+](C)CCCC#N)CCN1Cc1ccccc1 ZINC000156933854 188289145 /nfs/dbraw/zinc/28/91/45/188289145.db2.gz WIZLDUHPAMQQHT-WMZOPIPTSA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@H]1C[C@@H](N(C)CCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000156933854 188289147 /nfs/dbraw/zinc/28/91/47/188289147.db2.gz WIZLDUHPAMQQHT-WMZOPIPTSA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@H](c1ccco1)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000156394667 188259847 /nfs/dbraw/zinc/25/98/47/188259847.db2.gz ZJFKBRZAFHHIGD-CYBMUJFWSA-N 1 1 257.308 3.463 20 30 CGEDMO C[C@H](c1ccco1)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000156394667 188259848 /nfs/dbraw/zinc/25/98/48/188259848.db2.gz ZJFKBRZAFHHIGD-CYBMUJFWSA-N 1 1 257.308 3.463 20 30 CGEDMO CC(C)(C#N)CCC[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000157445974 188317441 /nfs/dbraw/zinc/31/74/41/188317441.db2.gz YVJBHIQTBLJSDQ-ZDUSSCGKSA-N 1 1 278.421 3.451 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000157445974 188317443 /nfs/dbraw/zinc/31/74/43/188317443.db2.gz YVJBHIQTBLJSDQ-ZDUSSCGKSA-N 1 1 278.421 3.451 20 30 CGEDMO N#CC1(CC[N@H+]2CCC[C@]3(CCOC3)C2)CCCCC1 ZINC000334637179 283045624 /nfs/dbraw/zinc/04/56/24/283045624.db2.gz DVWCJFOXZVBQSN-KRWDZBQOSA-N 1 1 276.424 3.353 20 30 CGEDMO Cc1cc(C[NH2+][C@@H](C)c2nccs2)ccc1C#N ZINC000411880558 235090718 /nfs/dbraw/zinc/09/07/18/235090718.db2.gz JBQBTARQGKLRML-NSHDSACASA-N 1 1 257.362 3.174 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCSC[C@@H]2C2CCC2)cc1 ZINC000418122792 283141937 /nfs/dbraw/zinc/14/19/37/283141937.db2.gz FPKDKBPWINDCSI-MRXNPFEDSA-N 1 1 272.417 3.276 20 30 CGEDMO C[C@H](Nc1ncccc1C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272969727 192001067 /nfs/dbraw/zinc/00/10/67/192001067.db2.gz OHFVVMCFBJQVDS-ZFWWWQNUSA-N 1 1 284.407 3.018 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000289476162 283214195 /nfs/dbraw/zinc/21/41/95/283214195.db2.gz ZKABEKALFDGMDE-QGZVFWFLSA-N 1 1 277.371 3.333 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)o1 ZINC000093690057 138348607 /nfs/dbraw/zinc/34/86/07/138348607.db2.gz KQOJTWCCFKIAMK-KBPBESRZSA-N 1 1 262.378 3.011 20 30 CGEDMO C[C@@H](CNc1c(F)cc(C#N)cc1F)[N@H+]1CCC[C@H](C)C1 ZINC000109810164 138362369 /nfs/dbraw/zinc/36/23/69/138362369.db2.gz WLZFPUXNKDOYLK-RYUDHWBXSA-N 1 1 293.361 3.369 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)s1 ZINC000127087074 138387885 /nfs/dbraw/zinc/38/78/85/138387885.db2.gz XYLKGKFMYAYIRR-CQSZACIVSA-N 1 1 283.400 3.306 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3ccncc3)C2)cc1F ZINC000336264855 213102431 /nfs/dbraw/zinc/10/24/31/213102431.db2.gz QUUUHMGGZXOZPQ-QGZVFWFLSA-N 1 1 295.361 3.472 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)[C@H]1C ZINC000246910476 138539692 /nfs/dbraw/zinc/53/96/92/138539692.db2.gz PSPXCPOSAJJEEO-NEPJUHHUSA-N 1 1 291.420 3.069 20 30 CGEDMO C=C(C)CC[N@@H+]1Cc2ccccc2C[C@@H]1c1nnc(C)o1 ZINC000274765440 192764404 /nfs/dbraw/zinc/76/44/04/192764404.db2.gz LDNVQGWQYARGLI-MRXNPFEDSA-N 1 1 283.375 3.444 20 30 CGEDMO C=C(C)CC[N@H+]1Cc2ccccc2C[C@@H]1c1nnc(C)o1 ZINC000274765440 192764406 /nfs/dbraw/zinc/76/44/06/192764406.db2.gz LDNVQGWQYARGLI-MRXNPFEDSA-N 1 1 283.375 3.444 20 30 CGEDMO CCC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000341600403 216027977 /nfs/dbraw/zinc/02/79/77/216027977.db2.gz BPJDHSLJYIIZOL-LSDHHAIUSA-N 1 1 299.418 3.397 20 30 CGEDMO CCOc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)ccc1O ZINC000297987696 200313929 /nfs/dbraw/zinc/31/39/29/200313929.db2.gz YMQARYLSNHVDEA-UHFFFAOYSA-N 1 1 296.370 3.295 20 30 CGEDMO C[C@@H](O)C[N@@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000298141647 200343477 /nfs/dbraw/zinc/34/34/77/200343477.db2.gz LPLYDQYWADGKQT-CQSZACIVSA-N 1 1 280.371 3.038 20 30 CGEDMO CS[C@H]1CCCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000179112072 189170572 /nfs/dbraw/zinc/17/05/72/189170572.db2.gz DDGDOXCCIUKIPJ-HNNXBMFYSA-N 1 1 260.406 3.276 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)cc1 ZINC000181537686 189299586 /nfs/dbraw/zinc/29/95/86/189299586.db2.gz SZCSMXJOHCEDRU-IBGZPJMESA-N 1 1 292.382 3.002 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)cc1 ZINC000181537686 189299587 /nfs/dbraw/zinc/29/95/87/189299587.db2.gz SZCSMXJOHCEDRU-IBGZPJMESA-N 1 1 292.382 3.002 20 30 CGEDMO COC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccco1 ZINC000181848975 189308016 /nfs/dbraw/zinc/30/80/16/189308016.db2.gz WOQSXCALMOKPTD-DOMZBBRYSA-N 1 1 270.332 3.190 20 30 CGEDMO C[C@H]1CCC[N@@H+](CCNc2c(C#N)cnc3ccccc32)C1 ZINC000301508956 201036573 /nfs/dbraw/zinc/03/65/73/201036573.db2.gz HWQVRPOXAXYEOS-AWEZNQCLSA-N 1 1 294.402 3.250 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2cc(Cl)cc3c2OCC3)o1 ZINC000184137606 189377719 /nfs/dbraw/zinc/37/77/19/189377719.db2.gz QDECKMGYHBHANR-UHFFFAOYSA-N 1 1 288.734 3.029 20 30 CGEDMO CC[C@H](c1ccncc1)[N@@H+](C)CCCSCC#N ZINC000119815064 370711959 /nfs/dbraw/zinc/71/19/59/370711959.db2.gz CSXQQKYJIBMFOG-CQSZACIVSA-N 1 1 263.410 3.111 20 30 CGEDMO COc1ccc([C@H]2CC[N@@H+](CCC(C)(C)C#N)C2)cc1 ZINC000119903314 370720594 /nfs/dbraw/zinc/72/05/94/370720594.db2.gz SHSUSLCMHFFLBO-HNNXBMFYSA-N 1 1 272.392 3.424 20 30 CGEDMO N#CCC[C@H](C#N)C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000120542064 370777993 /nfs/dbraw/zinc/77/79/93/370777993.db2.gz ZUPUQHWWIMFOPA-QGZVFWFLSA-N 1 1 297.402 3.111 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451416485 240296037 /nfs/dbraw/zinc/29/60/37/240296037.db2.gz GOBFBFQXKOXWGP-BVPBIZIASA-N 1 1 284.403 3.245 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+](C)[C@H](C)c1ccco1 ZINC000120725517 370794977 /nfs/dbraw/zinc/79/49/77/370794977.db2.gz MKHREOKUKYUGFG-GFCCVEGCSA-N 1 1 270.332 3.353 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@H](C)c1ccco1 ZINC000120725517 370794980 /nfs/dbraw/zinc/79/49/80/370794980.db2.gz MKHREOKUKYUGFG-GFCCVEGCSA-N 1 1 270.332 3.353 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000121208551 370838989 /nfs/dbraw/zinc/83/89/89/370838989.db2.gz TZUXYWXJYZIIIT-RYUDHWBXSA-N 1 1 280.799 3.024 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000121403902 370857904 /nfs/dbraw/zinc/85/79/04/370857904.db2.gz WWCLKNDDAUOTCG-ZDUSSCGKSA-N 1 1 296.370 3.465 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000121403902 370857907 /nfs/dbraw/zinc/85/79/07/370857907.db2.gz WWCLKNDDAUOTCG-ZDUSSCGKSA-N 1 1 296.370 3.465 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@@H](C)CCSC ZINC000121431666 370861566 /nfs/dbraw/zinc/86/15/66/370861566.db2.gz MVMYJFCTZPRTDA-LBPRGKRZSA-N 1 1 278.421 3.140 20 30 CGEDMO CC(C)(C)[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000483239475 243268103 /nfs/dbraw/zinc/26/81/03/243268103.db2.gz XUQKQZDCGPDVPT-HNNXBMFYSA-N 1 1 299.418 3.255 20 30 CGEDMO COc1cccc(C[NH+]2CCC(C#N)CC2)c1OC(C)C ZINC000123745830 370914634 /nfs/dbraw/zinc/91/46/34/370914634.db2.gz KLDOHPPXXDTPAD-UHFFFAOYSA-N 1 1 288.391 3.218 20 30 CGEDMO C[C@@H]1SCC[N@@H+](CC#Cc2ccc(F)cc2)[C@H]1C ZINC000125241652 370934090 /nfs/dbraw/zinc/93/40/90/370934090.db2.gz DSHBABUPGBDZBT-STQMWFEESA-N 1 1 263.381 3.003 20 30 CGEDMO CC(C)[C@H](C)[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000036787284 369029246 /nfs/dbraw/zinc/02/92/46/369029246.db2.gz BAVNNUASMUALDY-AWEZNQCLSA-N 1 1 260.381 3.303 20 30 CGEDMO CCCCC[N@@H+](CC(=O)Nc1cccc(C#N)c1)C(C)C ZINC000042253351 369209245 /nfs/dbraw/zinc/20/92/45/369209245.db2.gz MYVLAHTWHAOZJK-UHFFFAOYSA-N 1 1 287.407 3.397 20 30 CGEDMO C[C@@H]1c2ccsc2CC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000042764615 369230528 /nfs/dbraw/zinc/23/05/28/369230528.db2.gz BDNPMWQLEDASSR-WBMJQRKESA-N 1 1 298.411 3.272 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000276074370 193205818 /nfs/dbraw/zinc/20/58/18/193205818.db2.gz AHHDXOVMAJATBM-LLVKDONJSA-N 1 1 298.333 3.123 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cncc(C)c1 ZINC000276118853 193217639 /nfs/dbraw/zinc/21/76/39/193217639.db2.gz YKHFNFVFQLMPLQ-UHFFFAOYSA-N 1 1 256.349 3.214 20 30 CGEDMO Cc1ccccc1-c1noc([C@@H](C)O[NH+]=C(N)C(C)C)n1 ZINC000128553731 370964283 /nfs/dbraw/zinc/96/42/83/370964283.db2.gz HDCKIIDOSGHPAJ-LLVKDONJSA-N 1 1 288.351 3.051 20 30 CGEDMO C=CCC[N@H+](C)Cc1cnc(C)n1-c1ccccc1 ZINC000276144380 193225458 /nfs/dbraw/zinc/22/54/58/193225458.db2.gz NWPOMMUQBYZQSL-UHFFFAOYSA-N 1 1 255.365 3.189 20 30 CGEDMO C=CCC[N@H+](C)Cc1ncc(-c2ccccc2F)o1 ZINC000276452381 193335765 /nfs/dbraw/zinc/33/57/65/193335765.db2.gz PTRCEFKKFBVFOD-UHFFFAOYSA-N 1 1 260.312 3.489 20 30 CGEDMO CC[N@@H+](Cc1cccc(OC(F)F)c1)C[C@@H](C)C#N ZINC000065235317 369666196 /nfs/dbraw/zinc/66/61/96/369666196.db2.gz UDOAWYOIEJASCY-NSHDSACASA-N 1 1 268.307 3.270 20 30 CGEDMO CC[N@H+](Cc1cccc(OC(F)F)c1)C[C@@H](C)C#N ZINC000065235317 369666204 /nfs/dbraw/zinc/66/62/04/369666204.db2.gz UDOAWYOIEJASCY-NSHDSACASA-N 1 1 268.307 3.270 20 30 CGEDMO CC[C@@]1(C)CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000072802615 369839089 /nfs/dbraw/zinc/83/90/89/369839089.db2.gz BFRHTTRSMBYPDG-SFHVURJKSA-N 1 1 299.418 3.399 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1cccn1C ZINC000092505714 370097875 /nfs/dbraw/zinc/09/78/75/370097875.db2.gz YYQNOMFLAOKLFB-UHFFFAOYSA-N 1 1 254.377 3.256 20 30 CGEDMO C=CC[N@@H+](Cc1ccn(C)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000092646268 370099783 /nfs/dbraw/zinc/09/97/83/370099783.db2.gz XRJYDAZOGPCUCQ-UHFFFAOYSA-N 1 1 285.347 3.122 20 30 CGEDMO C=CC[N@H+](Cc1ccn(C)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000092646268 370099789 /nfs/dbraw/zinc/09/97/89/370099789.db2.gz XRJYDAZOGPCUCQ-UHFFFAOYSA-N 1 1 285.347 3.122 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCCSCC1 ZINC000089983547 370053544 /nfs/dbraw/zinc/05/35/44/370053544.db2.gz SEWVZZXUDZYTRC-UHFFFAOYSA-N 1 1 274.433 3.427 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](COC)C1 ZINC000093337697 370119154 /nfs/dbraw/zinc/11/91/54/370119154.db2.gz LIRFSUVYKJYIBS-OAHLLOKOSA-N 1 1 275.392 3.110 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000093438448 370129805 /nfs/dbraw/zinc/12/98/05/370129805.db2.gz RRSPXOQCOSQGOX-CQSZACIVSA-N 1 1 272.377 3.070 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000093438448 370129808 /nfs/dbraw/zinc/12/98/08/370129808.db2.gz RRSPXOQCOSQGOX-CQSZACIVSA-N 1 1 272.377 3.070 20 30 CGEDMO C=C(C)COc1cc(C[N@@H+](C)CCSC)ccc1OC ZINC000093509701 370138677 /nfs/dbraw/zinc/13/86/77/370138677.db2.gz LDKQIKSFDMWPIC-UHFFFAOYSA-N 1 1 295.448 3.445 20 30 CGEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(C#N)cs2)C1(C)C ZINC000093605413 370146474 /nfs/dbraw/zinc/14/64/74/370146474.db2.gz OHRFGJFCWDDKJE-ZIAGYGMSSA-N 1 1 278.421 3.255 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCOC3(CCC3)C2)cc1 ZINC000093639907 370150859 /nfs/dbraw/zinc/15/08/59/370150859.db2.gz VKAGOSBFXCMQQJ-UHFFFAOYSA-N 1 1 273.376 3.006 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCOC3(CCC3)C2)cc1 ZINC000093639907 370150862 /nfs/dbraw/zinc/15/08/62/370150862.db2.gz VKAGOSBFXCMQQJ-UHFFFAOYSA-N 1 1 273.376 3.006 20 30 CGEDMO C=CCOc1ccccc1CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000093644291 370151453 /nfs/dbraw/zinc/15/14/53/370151453.db2.gz WKVHWKWSVGIJNV-NVXWUHKLSA-N 1 1 288.435 3.166 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000093644291 370151456 /nfs/dbraw/zinc/15/14/56/370151456.db2.gz WKVHWKWSVGIJNV-NVXWUHKLSA-N 1 1 288.435 3.166 20 30 CGEDMO C=CCOc1ccccc1C[N@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000093644291 370151461 /nfs/dbraw/zinc/15/14/61/370151461.db2.gz WKVHWKWSVGIJNV-NVXWUHKLSA-N 1 1 288.435 3.166 20 30 CGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)CCCC ZINC000097056388 370220995 /nfs/dbraw/zinc/22/09/95/370220995.db2.gz WMIIAKOTCHPNBH-AWEZNQCLSA-N 1 1 294.464 3.383 20 30 CGEDMO Cc1nc(C)c([C@H](C)[N@@H+](C)CCCCC#N)s1 ZINC000106878872 370354280 /nfs/dbraw/zinc/35/42/80/370354280.db2.gz IILUWHUYAOEETL-NSHDSACASA-N 1 1 251.399 3.447 20 30 CGEDMO CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000117345218 370586541 /nfs/dbraw/zinc/58/65/41/370586541.db2.gz BGDPYHOKCAXMKQ-GJZGRUSLSA-N 1 1 299.418 3.397 20 30 CGEDMO CC#CCNc1[nH+]cnc2c1c(C)c(C)n2Cc1ccco1 ZINC000129883146 371006346 /nfs/dbraw/zinc/00/63/46/371006346.db2.gz QDVOQXGPUCQEEX-UHFFFAOYSA-N 1 1 294.358 3.125 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](C)Cc1ccccc1 ZINC000130386226 371028665 /nfs/dbraw/zinc/02/86/65/371028665.db2.gz UEFLSOSAKCOHDN-UHFFFAOYSA-N 1 1 266.344 3.199 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)[C@H]2CCSC2)cc1 ZINC000130485859 371037916 /nfs/dbraw/zinc/03/79/16/371037916.db2.gz GROSMNQHPBJPCJ-AWEZNQCLSA-N 1 1 263.406 3.189 20 30 CGEDMO CC[C@@H](C)C[N@@H+](CC)Cc1cc(C#N)ccc1OC ZINC000130484505 371038572 /nfs/dbraw/zinc/03/85/72/371038572.db2.gz GJMLZASXDLAPKE-CYBMUJFWSA-N 1 1 260.381 3.435 20 30 CGEDMO C=CCC[C@@H](C)[NH2+]CCCN(C)Cc1ccccc1 ZINC000130528160 371041239 /nfs/dbraw/zinc/04/12/39/371041239.db2.gz DPAKKWQYKAWQFV-MRXNPFEDSA-N 1 1 260.425 3.453 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2nc(C3CC3)cs2)cc1 ZINC000131097126 371083256 /nfs/dbraw/zinc/08/32/56/371083256.db2.gz WTPIKGFKIJHLTC-UHFFFAOYSA-N 1 1 269.373 3.182 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000133297092 371241093 /nfs/dbraw/zinc/24/10/93/371241093.db2.gz NIRCQKTVWMPJDP-SNVBAGLBSA-N 1 1 285.160 3.370 20 30 CGEDMO C=CC[N@@H+](CC(=O)N[C@@H](C)c1ccccc1Cl)C1CC1 ZINC000537858047 376205319 /nfs/dbraw/zinc/20/53/19/376205319.db2.gz QUHLDOARGARZCO-LBPRGKRZSA-N 1 1 292.810 3.168 20 30 CGEDMO C=CC[N@H+](CC(=O)N[C@@H](C)c1ccccc1Cl)C1CC1 ZINC000537858047 376205328 /nfs/dbraw/zinc/20/53/28/376205328.db2.gz QUHLDOARGARZCO-LBPRGKRZSA-N 1 1 292.810 3.168 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCCC[C@@H](SC)C1 ZINC000134610135 371354560 /nfs/dbraw/zinc/35/45/60/371354560.db2.gz HVRIUILYFRFVAA-OAHLLOKOSA-N 1 1 290.432 3.284 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2cccc(C(F)(F)F)c2)o1 ZINC000135126088 371393301 /nfs/dbraw/zinc/39/33/01/371393301.db2.gz RIYSPELJRGSZFH-UHFFFAOYSA-N 1 1 280.249 3.460 20 30 CGEDMO CCOCC[N@@H+](CC)Cc1ccccc1C(C)(C)C#N ZINC000135206130 371399949 /nfs/dbraw/zinc/39/99/49/371399949.db2.gz UOTDGCJYJKBGQS-UHFFFAOYSA-N 1 1 274.408 3.346 20 30 CGEDMO C=C(C)C[N@H+](CC)CCC(=O)Nc1ccc(OCC)cc1 ZINC000136194695 371466241 /nfs/dbraw/zinc/46/62/41/371466241.db2.gz ANSQZIZRTPRODJ-UHFFFAOYSA-N 1 1 290.407 3.312 20 30 CGEDMO C[N@@H+](CCCNc1ccc(C#N)nc1)C1CCCCC1 ZINC000149347868 371527877 /nfs/dbraw/zinc/52/78/77/371527877.db2.gz JGFAVUMIJJWIMY-UHFFFAOYSA-N 1 1 272.396 3.020 20 30 CGEDMO C[C@H](NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000344033108 217020360 /nfs/dbraw/zinc/02/03/60/217020360.db2.gz LBCLXTACQGBEKA-JYJNAYRXSA-N 1 1 285.435 3.472 20 30 CGEDMO C[C@H](NC[C@H](C)[N@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000344033108 217020362 /nfs/dbraw/zinc/02/03/62/217020362.db2.gz LBCLXTACQGBEKA-JYJNAYRXSA-N 1 1 285.435 3.472 20 30 CGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)C[C@H]1CC=CCC1 ZINC000344066541 217035180 /nfs/dbraw/zinc/03/51/80/217035180.db2.gz PLYLSMKEAQYELS-CABCVRRESA-N 1 1 297.402 3.173 20 30 CGEDMO C=CC[N@@H+](C)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000154769788 371876734 /nfs/dbraw/zinc/87/67/34/371876734.db2.gz PEMNMENLUMBQPB-UHFFFAOYSA-N 1 1 261.756 3.144 20 30 CGEDMO C=CC[N@H+](C)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000154769788 371876737 /nfs/dbraw/zinc/87/67/37/371876737.db2.gz PEMNMENLUMBQPB-UHFFFAOYSA-N 1 1 261.756 3.144 20 30 CGEDMO CC(C)[N@@H+](Cc1cncs1)Cc1ccc(C#N)cc1 ZINC000154369510 371840625 /nfs/dbraw/zinc/84/06/25/371840625.db2.gz JYGCDSKSJNFDIL-UHFFFAOYSA-N 1 1 271.389 3.425 20 30 CGEDMO C[N@@H+](CC#Cc1ccccc1Cl)CC1CCOCC1 ZINC000155703935 371940382 /nfs/dbraw/zinc/94/03/82/371940382.db2.gz QSJVBIMLWXYOQW-UHFFFAOYSA-N 1 1 277.795 3.050 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3ccccc3)C2)o1 ZINC000155061766 371901438 /nfs/dbraw/zinc/90/14/38/371901438.db2.gz QQGLJCSNSUDRSX-CQSZACIVSA-N 1 1 252.317 3.141 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2cnc(N(C)C)n2C)CCCC1(C)C ZINC000425337727 372122643 /nfs/dbraw/zinc/12/26/43/372122643.db2.gz NRBANSYHPWOOCJ-OAHLLOKOSA-N 1 1 290.455 3.053 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1 ZINC000290934824 372077573 /nfs/dbraw/zinc/07/75/73/372077573.db2.gz PFXGBGIRJYJTGI-MSOLQXFVSA-N 1 1 281.399 3.201 20 30 CGEDMO CCCC[N@@H+](C)C[C@@H](C)Nc1nc(Cl)c(C#N)s1 ZINC000290940616 372078950 /nfs/dbraw/zinc/07/89/50/372078950.db2.gz BTMUCZGPRXMTJI-SECBINFHSA-N 1 1 286.832 3.200 20 30 CGEDMO C=C(C)COc1cc(C[N@@H+](C)C(C)C)ccc1OC ZINC000158742297 372083364 /nfs/dbraw/zinc/08/33/64/372083364.db2.gz YQFYKSRHBSMHTE-UHFFFAOYSA-N 1 1 263.381 3.490 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cccc(OCCCOC)c1 ZINC000159014205 372099339 /nfs/dbraw/zinc/09/93/39/372099339.db2.gz ZGBHAPUTEXYZRZ-UHFFFAOYSA-N 1 1 277.408 3.500 20 30 CGEDMO CC[C@]1(C)CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000344214591 217102221 /nfs/dbraw/zinc/10/22/21/217102221.db2.gz BSIKMXUOZVQIPR-SUMWQHHRSA-N 1 1 285.391 3.007 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000291718561 372174317 /nfs/dbraw/zinc/17/43/17/372174317.db2.gz IWWSPUDJHDORDL-SFHVURJKSA-N 1 1 273.420 3.369 20 30 CGEDMO COc1ccc(CNc2cccc(C3CC3)[nH+]2)cc1C#N ZINC000292846598 372225954 /nfs/dbraw/zinc/22/59/54/372225954.db2.gz BMMIPPCMEORPDV-UHFFFAOYSA-N 1 1 279.343 3.451 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000428380135 372186813 /nfs/dbraw/zinc/18/68/13/372186813.db2.gz YHQPAUYKZJQDHP-UHFFFAOYSA-N 1 1 289.297 3.254 20 30 CGEDMO COCC[C@H]1CCCC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000428436649 372200886 /nfs/dbraw/zinc/20/08/86/372200886.db2.gz GDAVOPPQZQZCQS-CQSZACIVSA-N 1 1 290.382 3.336 20 30 CGEDMO C=CC[C@H]1[N@H+](Cc2nnc(C(C)C)[nH]2)CCCC1(C)C ZINC000428976702 372294234 /nfs/dbraw/zinc/29/42/34/372294234.db2.gz JQYMTZIOIFQGHI-CYBMUJFWSA-N 1 1 276.428 3.495 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2nnc(C(C)C)[nH]2)CCCC1(C)C ZINC000428976702 372294237 /nfs/dbraw/zinc/29/42/37/372294237.db2.gz JQYMTZIOIFQGHI-CYBMUJFWSA-N 1 1 276.428 3.495 20 30 CGEDMO C=CCCCCC[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000428990288 372299154 /nfs/dbraw/zinc/29/91/54/372299154.db2.gz GTCWTUNQNRNLSB-INIZCTEOSA-N 1 1 251.414 3.481 20 30 CGEDMO CC(C)[N@@H+]1CCCC[C@@H]1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000344295913 217138039 /nfs/dbraw/zinc/13/80/39/217138039.db2.gz KNVGQEPRRRHTNH-MAUKXSAKSA-N 1 1 285.435 3.472 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@@H]1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000344295913 217138041 /nfs/dbraw/zinc/13/80/41/217138041.db2.gz KNVGQEPRRRHTNH-MAUKXSAKSA-N 1 1 285.435 3.472 20 30 CGEDMO CC(C)[C@H]1C[N@H+]([C@@H](C)c2cccc(C#N)c2)CCCO1 ZINC000293158660 372313936 /nfs/dbraw/zinc/31/39/36/372313936.db2.gz ORPTVGJFVYCLMY-WMLDXEAASA-N 1 1 272.392 3.366 20 30 CGEDMO C=CCOc1ccccc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000161510742 372330952 /nfs/dbraw/zinc/33/09/52/372330952.db2.gz LKQXFZMWMOTOAR-HLLBOEOZSA-N 1 1 288.435 3.070 20 30 CGEDMO CSC[C@H]1CCC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000429289689 372340928 /nfs/dbraw/zinc/34/09/28/372340928.db2.gz YKSNMXLVWSDIQA-HNNXBMFYSA-N 1 1 296.480 3.162 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2Br)[C@H]1C ZINC000293338687 372358951 /nfs/dbraw/zinc/35/89/51/372358951.db2.gz GXIOTFXRLMXZJK-ZJUUUORDSA-N 1 1 279.181 3.161 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)[C@H]1C ZINC000293338687 372358959 /nfs/dbraw/zinc/35/89/59/372358959.db2.gz GXIOTFXRLMXZJK-ZJUUUORDSA-N 1 1 279.181 3.161 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)[C@H]1CCc2ccc(F)cc21 ZINC000429719435 372377482 /nfs/dbraw/zinc/37/74/82/372377482.db2.gz CARDESQCJIZNGV-KRWDZBQOSA-N 1 1 276.399 3.253 20 30 CGEDMO C=CC[N@@H+](C)CCN(CC)[C@H]1CCc2ccc(F)cc21 ZINC000429719435 372377484 /nfs/dbraw/zinc/37/74/84/372377484.db2.gz CARDESQCJIZNGV-KRWDZBQOSA-N 1 1 276.399 3.253 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)[C@H]1CCc2ccc(F)cc21 ZINC000429719435 372377486 /nfs/dbraw/zinc/37/74/86/372377486.db2.gz CARDESQCJIZNGV-KRWDZBQOSA-N 1 1 276.399 3.253 20 30 CGEDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(F)c(C#N)c2)C[C@@H]1C ZINC000344388619 217177197 /nfs/dbraw/zinc/17/71/97/217177197.db2.gz BHJFONNMZZWPPY-BBRMVZONSA-N 1 1 289.398 3.002 20 30 CGEDMO Cc1ccc(C[NH2+]C[C@@H](C)C#N)cc1Br ZINC000163667255 372486793 /nfs/dbraw/zinc/48/67/93/372486793.db2.gz KLXPNRLQEAHGFL-VIFPVBQESA-N 1 1 267.170 3.007 20 30 CGEDMO C=CC[NH+](CC=C)CC(=O)N[C@@H](C)c1ccc(CC)cc1 ZINC000052868592 541877194 /nfs/dbraw/zinc/87/71/94/541877194.db2.gz BSHCGWANHZRNDO-HNNXBMFYSA-N 1 1 286.419 3.100 20 30 CGEDMO N#CCCC[C@@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1ccccc1 ZINC000433020303 372578594 /nfs/dbraw/zinc/57/85/94/372578594.db2.gz CBBHWKGHDQNEMP-OAHLLOKOSA-N 1 1 295.390 3.207 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433078919 372580196 /nfs/dbraw/zinc/58/01/96/372580196.db2.gz XGIGUXSJYHNNFO-SJORKVTESA-N 1 1 259.393 3.193 20 30 CGEDMO Cc1cc(C)n(-c2ccc(C[N@@H+](C)CC(C)(C)C#N)cc2)n1 ZINC000433310159 372588505 /nfs/dbraw/zinc/58/85/05/372588505.db2.gz AVEMTYZLKBBXRA-UHFFFAOYSA-N 1 1 296.418 3.471 20 30 CGEDMO Cc1cc(C)n(-c2ccc(C[N@H+](C)CC(C)(C)C#N)cc2)n1 ZINC000433310159 372588512 /nfs/dbraw/zinc/58/85/12/372588512.db2.gz AVEMTYZLKBBXRA-UHFFFAOYSA-N 1 1 296.418 3.471 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CC(C)(C)C#N ZINC000168916508 372623690 /nfs/dbraw/zinc/62/36/90/372623690.db2.gz PGWVYOOVCUKZGP-UHFFFAOYSA-N 1 1 282.391 3.129 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CC[C@H](SC)C2)cc1 ZINC000294951633 372682849 /nfs/dbraw/zinc/68/28/49/372682849.db2.gz DAVAWBYMRLHLDJ-INIZCTEOSA-N 1 1 275.417 3.026 20 30 CGEDMO C#CC[N@@H+](C)CCCN[C@@H](C)c1csc(Cl)c1 ZINC000295004308 372685952 /nfs/dbraw/zinc/68/59/52/372685952.db2.gz MFXIRGWCWXLXOY-NSHDSACASA-N 1 1 270.829 3.007 20 30 CGEDMO C#CC[N@H+](C)CCCN[C@@H](C)c1csc(Cl)c1 ZINC000295004308 372685957 /nfs/dbraw/zinc/68/59/57/372685957.db2.gz MFXIRGWCWXLXOY-NSHDSACASA-N 1 1 270.829 3.007 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@H](SC)C2)cc1OC ZINC000295124259 372694903 /nfs/dbraw/zinc/69/49/03/372694903.db2.gz XBIUPYIMLVHDKQ-AWEZNQCLSA-N 1 1 293.432 3.197 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC(C)(C)CO ZINC000295157327 372696712 /nfs/dbraw/zinc/69/67/12/372696712.db2.gz DYANICAPNPEQQW-UHFFFAOYSA-N 1 1 299.336 3.007 20 30 CGEDMO C=CC[N@H+](CC[C@H]1CCOC1)Cc1ccccc1F ZINC000437688058 372855427 /nfs/dbraw/zinc/85/54/27/372855427.db2.gz MSVVYFCCJOWXOY-AWEZNQCLSA-N 1 1 263.356 3.240 20 30 CGEDMO C[C@@H]1Cc2[nH+]cn(Cc3cc(C#N)ccc3F)c2C[C@H]1C ZINC000295726184 372890599 /nfs/dbraw/zinc/89/05/99/372890599.db2.gz HJBQLEJRARSXLR-VXGBXAGGSA-N 1 1 283.350 3.313 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCC[C@H]3CCC[C@H]32)cc1 ZINC000438175075 372904064 /nfs/dbraw/zinc/90/40/64/372904064.db2.gz OFNVZVYYTXYVSL-NVXWUHKLSA-N 1 1 257.352 3.442 20 30 CGEDMO Clc1ccccc1C#CC[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000441159142 372997436 /nfs/dbraw/zinc/99/74/36/372997436.db2.gz TXKKBFLNOUXRRY-WBVHZDCISA-N 1 1 289.806 3.192 20 30 CGEDMO C=CCCC[N@H+]1Cc2ccccc2[C@@H](C(=O)OCC)C1 ZINC000441123763 372998288 /nfs/dbraw/zinc/99/82/88/372998288.db2.gz KIYKPUXCTXZSCD-INIZCTEOSA-N 1 1 273.376 3.115 20 30 CGEDMO CO[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)[C@H](C)C1 ZINC000441343754 373002400 /nfs/dbraw/zinc/00/24/00/373002400.db2.gz GYUJPNMFKCUFKC-HIFRSBDPSA-N 1 1 277.795 3.191 20 30 CGEDMO CO[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)[C@H](C)C1 ZINC000441343754 373002402 /nfs/dbraw/zinc/00/24/02/373002402.db2.gz GYUJPNMFKCUFKC-HIFRSBDPSA-N 1 1 277.795 3.191 20 30 CGEDMO C[C@@H]1Cc2[nH+]cn(Cc3ccc(C#N)cc3)c2C[C@H]1C ZINC000296049969 373006047 /nfs/dbraw/zinc/00/60/47/373006047.db2.gz UBOTWAGVARRNQT-CHWSQXEVSA-N 1 1 265.360 3.174 20 30 CGEDMO C[C@@H]1Cc2c([nH+]cn2Cc2ccccc2C#N)C[C@@H]1C ZINC000296001429 372991340 /nfs/dbraw/zinc/99/13/40/372991340.db2.gz PVLGDVIOMFHHLE-QWHCGFSZSA-N 1 1 265.360 3.174 20 30 CGEDMO COc1ccc(C#N)cc1C[NH2+]C(C)(C)c1c(C)noc1C ZINC000353544693 220149013 /nfs/dbraw/zinc/14/90/13/220149013.db2.gz PTWIOPMWCBCASL-UHFFFAOYSA-N 1 1 299.374 3.197 20 30 CGEDMO Cc1noc(C)c1C(C)(C)[NH2+]Cc1cc(C#N)ccc1F ZINC000353543942 220149239 /nfs/dbraw/zinc/14/92/39/220149239.db2.gz OAPVZGLXWLXJNC-UHFFFAOYSA-N 1 1 287.338 3.327 20 30 CGEDMO CC[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000173486718 373146275 /nfs/dbraw/zinc/14/62/75/373146275.db2.gz OZKUQODMFPQSFP-ZDUSSCGKSA-N 1 1 296.374 3.230 20 30 CGEDMO COC(=O)C1([N@@H+](C)CCCCC(C)(C)C#N)CCCC1 ZINC000444664218 373224728 /nfs/dbraw/zinc/22/47/28/373224728.db2.gz LYIRWITUHALBMU-UHFFFAOYSA-N 1 1 280.412 3.124 20 30 CGEDMO N#Cc1cccc(OCCC[N@H+]2CCCC23CCC3)c1 ZINC000444793155 373277194 /nfs/dbraw/zinc/27/71/94/373277194.db2.gz RCOMWRIILOIQOF-UHFFFAOYSA-N 1 1 270.376 3.346 20 30 CGEDMO C=CCCC[N@@H+](C[C@H](O)COc1ccccc1)C(C)C ZINC000444798450 373278354 /nfs/dbraw/zinc/27/83/54/373278354.db2.gz GABXOKRPDZKDRX-INIZCTEOSA-N 1 1 277.408 3.103 20 30 CGEDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000444770621 373266410 /nfs/dbraw/zinc/26/64/10/373266410.db2.gz FDFLQFFLJSJZKT-INIZCTEOSA-N 1 1 292.810 3.339 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2ccnc(OC3CCCC3)c2)o1 ZINC000174266270 373280781 /nfs/dbraw/zinc/28/07/81/373280781.db2.gz XXEITNFXIWBNHZ-UHFFFAOYSA-N 1 1 297.358 3.157 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2cn(C)nc2C)CCCC1(C)C ZINC000446856259 373372037 /nfs/dbraw/zinc/37/20/37/373372037.db2.gz MRJOIJIIQCNUQP-HNNXBMFYSA-N 1 1 261.413 3.295 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)[C@@H](C)c1ccccn1 ZINC000299167003 373476099 /nfs/dbraw/zinc/47/60/99/373476099.db2.gz XVYYKQAFOFRSLY-AWEZNQCLSA-N 1 1 256.349 3.466 20 30 CGEDMO C[C@@H](C1CCCCC1)[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000447393232 373432793 /nfs/dbraw/zinc/43/27/93/373432793.db2.gz DFYYHSXCHOGSOL-AWEZNQCLSA-N 1 1 299.418 3.397 20 30 CGEDMO C[N@H+]1CCCC(C)(C)[C@H]1CNc1cccc(F)c1C#N ZINC000447809617 373493757 /nfs/dbraw/zinc/49/37/57/373493757.db2.gz AYZIFFPJHUTYBC-OAHLLOKOSA-N 1 1 275.371 3.230 20 30 CGEDMO C[N@H+]1CCCC(C)(C)[C@H]1CNc1ccc(C#N)cc1F ZINC000447806095 373494101 /nfs/dbraw/zinc/49/41/01/373494101.db2.gz LXSUCBLMEYLQFM-OAHLLOKOSA-N 1 1 275.371 3.230 20 30 CGEDMO C=CCCCNC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000447989878 373534730 /nfs/dbraw/zinc/53/47/30/373534730.db2.gz QBPKUNITAVYEEG-GASCZTMLSA-N 1 1 295.471 3.008 20 30 CGEDMO CC(C)(C)[C@H]1C[N@@H+](CCCCC(C)(C)C#N)CCO1 ZINC000447833646 373503585 /nfs/dbraw/zinc/50/35/85/373503585.db2.gz IZBNMUKVWBSEDT-CQSZACIVSA-N 1 1 266.429 3.453 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNc2ccc(C#N)cc2)C1 ZINC000301069657 373648802 /nfs/dbraw/zinc/64/88/02/373648802.db2.gz DCJRJXVUJCOZSD-GASCZTMLSA-N 1 1 271.408 3.338 20 30 CGEDMO COc1cc(C[N@H+]2C[C@H](C)C[C@H](C)[C@@H]2C)ccc1C#N ZINC000300194963 373620148 /nfs/dbraw/zinc/62/01/48/373620148.db2.gz DUEILJSFKWYEHJ-RDBSUJKOSA-N 1 1 272.392 3.433 20 30 CGEDMO CC[C@@H](C)C[N@@H+](CC)CCC(=O)Nc1sccc1C#N ZINC000177849974 373717328 /nfs/dbraw/zinc/71/73/28/373717328.db2.gz PHTMGEXKXYYDSI-GFCCVEGCSA-N 1 1 293.436 3.316 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc2c(c1)OCCCCO2 ZINC000449267712 373674736 /nfs/dbraw/zinc/67/47/36/373674736.db2.gz BCZIPRVLZBFZDL-UHFFFAOYSA-N 1 1 261.365 3.246 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCNc1cc(C#N)nc2ccccc21 ZINC000301356601 373758779 /nfs/dbraw/zinc/75/87/79/373758779.db2.gz KQTUKEYZVVMOIK-AWEZNQCLSA-N 1 1 294.402 3.393 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]Cc1cnc(CC)o1 ZINC000449610981 373835696 /nfs/dbraw/zinc/83/56/96/373835696.db2.gz SYVRKCMCUKTQFK-UHFFFAOYSA-N 1 1 272.348 3.092 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@@H](OCC)[C@@H](C)C1 ZINC000449491784 373780711 /nfs/dbraw/zinc/78/07/11/373780711.db2.gz HYDSXQLHGAMMLJ-DOTOQJQBSA-N 1 1 289.419 3.498 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@H](OCC)[C@@H](C)C1 ZINC000449491786 373782320 /nfs/dbraw/zinc/78/23/20/373782320.db2.gz HYDSXQLHGAMMLJ-RDJZCZTQSA-N 1 1 289.419 3.498 20 30 CGEDMO C=CCC[C@@H]([NH2+]C1CCC(C(F)F)CC1)C(=O)OCC ZINC000449655903 373837532 /nfs/dbraw/zinc/83/75/32/373837532.db2.gz IHASKOZITARFPR-WXRRBKDZSA-N 1 1 289.366 3.298 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CCCC1 ZINC000449847149 373943380 /nfs/dbraw/zinc/94/33/80/373943380.db2.gz DOTBJQSYXYTLBJ-HNNXBMFYSA-N 1 1 290.451 3.256 20 30 CGEDMO C=CCC1(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CCCC1 ZINC000449964892 373978321 /nfs/dbraw/zinc/97/83/21/373978321.db2.gz KPTNXXHLXKHZIV-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@@H]1CO ZINC000305699596 374098076 /nfs/dbraw/zinc/09/80/76/374098076.db2.gz BEGDBYLJKICILY-WMLDXEAASA-N 1 1 286.419 3.081 20 30 CGEDMO C[C@@H](NC[C@@H](C)[NH+]1CCC(C)CC1)c1cccc(C#N)c1 ZINC000181624486 374147539 /nfs/dbraw/zinc/14/75/39/374147539.db2.gz QTSOVQHVMCXCOX-HZPDHXFCSA-N 1 1 285.435 3.329 20 30 CGEDMO CC[N@@H+]1CCCC[C@H]1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000181735023 374162346 /nfs/dbraw/zinc/16/23/46/374162346.db2.gz SNPXBEFHAJCBHR-YOEHRIQHSA-N 1 1 271.408 3.083 20 30 CGEDMO CC[N@H+]1CCCC[C@H]1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000181735023 374162349 /nfs/dbraw/zinc/16/23/49/374162349.db2.gz SNPXBEFHAJCBHR-YOEHRIQHSA-N 1 1 271.408 3.083 20 30 CGEDMO C=CC[N@H+](CCCC(=O)c1ccc(F)cc1)C1CC1 ZINC000450639400 374166348 /nfs/dbraw/zinc/16/63/48/374166348.db2.gz AQVGNDZGVQOMLO-UHFFFAOYSA-N 1 1 261.340 3.439 20 30 CGEDMO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000182031459 374206950 /nfs/dbraw/zinc/20/69/50/374206950.db2.gz QOTUXRCCHWFGBB-IBGZPJMESA-N 1 1 294.398 3.248 20 30 CGEDMO COC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000452106939 374238949 /nfs/dbraw/zinc/23/89/49/374238949.db2.gz RPJPEXZTKPDSBY-CYBMUJFWSA-N 1 1 292.810 3.460 20 30 CGEDMO C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000319729884 374347170 /nfs/dbraw/zinc/34/71/70/374347170.db2.gz WJQBSWWRHHBROR-RBSFLKMASA-N 1 1 299.418 3.253 20 30 CGEDMO C[C@@H](C[N@@H+](C)Cc1cc(C#N)cs1)c1nccs1 ZINC000183259666 374393871 /nfs/dbraw/zinc/39/38/71/374393871.db2.gz OOPSBTWQQJQPOX-JTQLQIEISA-N 1 1 277.418 3.312 20 30 CGEDMO C=CCOc1cccc(C[N@H+](C)[C@H](C)CC(=O)OCC)c1 ZINC000183186720 374383052 /nfs/dbraw/zinc/38/30/52/374383052.db2.gz KWVCZQAVXRCOOX-CQSZACIVSA-N 1 1 291.391 3.025 20 30 CGEDMO CC1=CC[N@H+](CC(=O)NC(=O)N[C@@H]2CCCC[C@H]2C)CC1 ZINC000328852183 374388133 /nfs/dbraw/zinc/38/81/33/374388133.db2.gz ISDQIDDACNKSIU-ZIAGYGMSSA-N 1 1 293.411 3.088 20 30 CGEDMO CC1=CC[N@@H+](CC(=O)NC(=O)N[C@@H]2CCCC[C@H]2C)CC1 ZINC000328852183 374388140 /nfs/dbraw/zinc/38/81/40/374388140.db2.gz ISDQIDDACNKSIU-ZIAGYGMSSA-N 1 1 293.411 3.088 20 30 CGEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000329393172 374406737 /nfs/dbraw/zinc/40/67/37/374406737.db2.gz UOGBCRLWLIFGMJ-KGLIPLIRSA-N 1 1 290.411 3.008 20 30 CGEDMO C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000329393172 374406741 /nfs/dbraw/zinc/40/67/41/374406741.db2.gz UOGBCRLWLIFGMJ-KGLIPLIRSA-N 1 1 290.411 3.008 20 30 CGEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000329393172 374406744 /nfs/dbraw/zinc/40/67/44/374406744.db2.gz UOGBCRLWLIFGMJ-KGLIPLIRSA-N 1 1 290.411 3.008 20 30 CGEDMO C[C@H](C#N)C[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000183819250 374462162 /nfs/dbraw/zinc/46/21/62/374462162.db2.gz MFOYKCGHGFZILH-MRVPVSSYSA-N 1 1 274.698 3.191 20 30 CGEDMO CCC(C)(C)[N@@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000330968966 374492384 /nfs/dbraw/zinc/49/23/84/374492384.db2.gz FKDZHRUDCBBDCO-UHFFFAOYSA-N 1 1 293.436 3.296 20 30 CGEDMO C[C@@H](C[N@@H+](C)CC#Cc1ccc(F)cc1)c1nccs1 ZINC000183957243 374477510 /nfs/dbraw/zinc/47/75/10/374477510.db2.gz GEFGLZRTMCMKBQ-ZDUSSCGKSA-N 1 1 288.391 3.369 20 30 CGEDMO CC[C@@H]1[C@@H](C)CC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000331100079 374505003 /nfs/dbraw/zinc/50/50/03/374505003.db2.gz CRTACZZFOUOSKH-XJKSGUPXSA-N 1 1 285.391 3.007 20 30 CGEDMO Cc1csc([C@H](C)[NH2+]CC#Cc2ccc(F)cc2)n1 ZINC000184152662 374498595 /nfs/dbraw/zinc/49/85/95/374498595.db2.gz NMYFUXADKLZPKS-LBPRGKRZSA-N 1 1 274.364 3.293 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C(C)(C)C1 ZINC000332143677 374557096 /nfs/dbraw/zinc/55/70/96/374557096.db2.gz MXVKLNCIXPTKQW-LBPRGKRZSA-N 1 1 296.374 3.229 20 30 CGEDMO CC(C)C[C@H](CO)[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000185343958 374642931 /nfs/dbraw/zinc/64/29/31/374642931.db2.gz FKCMCCNXXWAGGT-OAHLLOKOSA-N 1 1 280.799 3.050 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCCC[C@H](C)C1 ZINC000185261469 374623364 /nfs/dbraw/zinc/62/33/64/374623364.db2.gz HEEJIYMDXTXATD-ZDUSSCGKSA-N 1 1 258.365 3.189 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)n1 ZINC000334150204 374650731 /nfs/dbraw/zinc/65/07/31/374650731.db2.gz IRJIDJGROBFVSP-HNNXBMFYSA-N 1 1 273.405 3.337 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@@]3(CC=CCC3)C2)n1 ZINC000334150204 374650740 /nfs/dbraw/zinc/65/07/40/374650740.db2.gz IRJIDJGROBFVSP-HNNXBMFYSA-N 1 1 273.405 3.337 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)n1 ZINC000334382910 374702356 /nfs/dbraw/zinc/70/23/56/374702356.db2.gz KNBFAFCXJXWGIE-DGCLKSJQSA-N 1 1 261.394 3.169 20 30 CGEDMO CCC[C@H]1CCCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000185867597 374756486 /nfs/dbraw/zinc/75/64/86/374756486.db2.gz REVMRHROMAOPTO-ZDUSSCGKSA-N 1 1 291.420 3.213 20 30 CGEDMO CCC[C@H]1CCCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000185867597 374756489 /nfs/dbraw/zinc/75/64/89/374756489.db2.gz REVMRHROMAOPTO-ZDUSSCGKSA-N 1 1 291.420 3.213 20 30 CGEDMO CCC1(CO)CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000187378504 375013299 /nfs/dbraw/zinc/01/32/99/375013299.db2.gz LTVZTKFZDMBHFI-UHFFFAOYSA-N 1 1 292.810 3.196 20 30 CGEDMO C=CCCCCNC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000472849715 375036983 /nfs/dbraw/zinc/03/69/83/375036983.db2.gz NKMZDZBPJFNELG-IYBDPMFKSA-N 1 1 295.471 3.010 20 30 CGEDMO COC[C@H]1CCCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000467120947 374972288 /nfs/dbraw/zinc/97/22/88/374972288.db2.gz RUNUYQQCCDMUDD-HNNXBMFYSA-N 1 1 291.822 3.440 20 30 CGEDMO C[C@H]1CC[C@](CO)([N@@H+](C)Cc2ccc(Cl)cc2C#N)C1 ZINC000188007136 375139103 /nfs/dbraw/zinc/13/91/03/375139103.db2.gz VWNCWSVKAVJCNH-LRDDRELGSA-N 1 1 292.810 3.195 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000481273443 375163379 /nfs/dbraw/zinc/16/33/79/375163379.db2.gz YMMZKGBLSCQUCQ-HUUCEWRRSA-N 1 1 286.419 3.251 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000481273443 375163388 /nfs/dbraw/zinc/16/33/88/375163388.db2.gz YMMZKGBLSCQUCQ-HUUCEWRRSA-N 1 1 286.419 3.251 20 30 CGEDMO Cc1ccc2c(c1)CC[N@H+](CC#Cc1ccccc1)C2 ZINC000483986240 375184467 /nfs/dbraw/zinc/18/44/67/375184467.db2.gz VVPRXMIPSZEKSH-UHFFFAOYSA-N 1 1 261.368 3.405 20 30 CGEDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000487379373 375233617 /nfs/dbraw/zinc/23/36/17/375233617.db2.gz NMRRRIRKBPBKKO-GOEBONIOSA-N 1 1 286.419 3.487 20 30 CGEDMO COCC[N@@H+](Cc1ccc(CC#N)cc1)[C@@H]1CCC[C@H]1C ZINC000487995658 375294360 /nfs/dbraw/zinc/29/43/60/375294360.db2.gz AZYGFGGCINRORC-CRAIPNDOSA-N 1 1 286.419 3.390 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H]2c2ccncc2)c1F ZINC000335461899 375309735 /nfs/dbraw/zinc/30/97/35/375309735.db2.gz VPMYQKQKDLCGAP-INIZCTEOSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]2c2ccncc2)c1F ZINC000335461899 375309740 /nfs/dbraw/zinc/30/97/40/375309740.db2.gz VPMYQKQKDLCGAP-INIZCTEOSA-N 1 1 281.334 3.429 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CCC(=O)c1ccc(F)cc1 ZINC000489424117 375318649 /nfs/dbraw/zinc/31/86/49/375318649.db2.gz JNPHRDIRKPOTMA-HNNXBMFYSA-N 1 1 261.340 3.439 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000335382326 375268004 /nfs/dbraw/zinc/26/80/04/375268004.db2.gz YRTFJOYFJXQFIV-RHSMWYFYSA-N 1 1 288.366 3.088 20 30 CGEDMO N#CC1(CC[N@H+]2C[C@@H]3C[C@H]2CS3)CCCCC1 ZINC000335645796 375337553 /nfs/dbraw/zinc/33/75/53/375337553.db2.gz WBFKVWAFOZCUKH-STQMWFEESA-N 1 1 250.411 3.040 20 30 CGEDMO CC1=C(C)C[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000335785395 375428145 /nfs/dbraw/zinc/42/81/45/375428145.db2.gz SMLYSNQUODJNLK-OAHLLOKOSA-N 1 1 269.348 3.177 20 30 CGEDMO CC1=C(C)C[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000335785395 375428150 /nfs/dbraw/zinc/42/81/50/375428150.db2.gz SMLYSNQUODJNLK-OAHLLOKOSA-N 1 1 269.348 3.177 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](C)COC ZINC000189691531 375435382 /nfs/dbraw/zinc/43/53/82/375435382.db2.gz HFWHIBGWXFDMEA-AWEZNQCLSA-N 1 1 260.381 3.053 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000496025257 375511041 /nfs/dbraw/zinc/51/10/41/375511041.db2.gz VTRSSNXFGXKAHR-LSDHHAIUSA-N 1 1 294.439 3.141 20 30 CGEDMO C[C@@H](c1ccccc1)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191184885 375592254 /nfs/dbraw/zinc/59/22/54/375592254.db2.gz KYWNYZHCZREDAF-ZDUSSCGKSA-N 1 1 253.349 3.090 20 30 CGEDMO Cn1cc(C[N@H+]2CCC3(C2)CCCCC3)cc1C#N ZINC000191402388 375624380 /nfs/dbraw/zinc/62/43/80/375624380.db2.gz RQYBCQILRPQETK-UHFFFAOYSA-N 1 1 257.381 3.053 20 30 CGEDMO CC(C)CC[C@H]1CCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191430815 375627872 /nfs/dbraw/zinc/62/78/72/375627872.db2.gz KFYHBYQWKJCBEU-OAHLLOKOSA-N 1 1 259.397 3.297 20 30 CGEDMO C=CC[N@H+](CCC)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502929561 375648641 /nfs/dbraw/zinc/64/86/41/375648641.db2.gz CWYJRCMRNCSYHX-CQSZACIVSA-N 1 1 260.381 3.302 20 30 CGEDMO CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000191661639 375649756 /nfs/dbraw/zinc/64/97/56/375649756.db2.gz XCGCXWBXHVFGMS-QGZVFWFLSA-N 1 1 290.382 3.070 20 30 CGEDMO CCc1cc(OC)ccc1C[N@H+](CC)C[C@@H](C)C#N ZINC000503953380 375653118 /nfs/dbraw/zinc/65/31/18/375653118.db2.gz OODVXDXZXSJHAJ-ZDUSSCGKSA-N 1 1 260.381 3.239 20 30 CGEDMO CCc1cc(OC)ccc1C[N@@H+](CC)C[C@@H](C)C#N ZINC000503953380 375653122 /nfs/dbraw/zinc/65/31/22/375653122.db2.gz OODVXDXZXSJHAJ-ZDUSSCGKSA-N 1 1 260.381 3.239 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccccc1OC(C)C ZINC000191756625 375658979 /nfs/dbraw/zinc/65/89/79/375658979.db2.gz LCUQWCJEXFRNOV-UHFFFAOYSA-N 1 1 263.381 3.108 20 30 CGEDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccccc1C#N ZINC000191480211 375633105 /nfs/dbraw/zinc/63/31/05/375633105.db2.gz JCCKEGTUNCUZOC-LJQANCHMSA-N 1 1 294.398 3.248 20 30 CGEDMO C[C@H](c1cccnc1)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192135415 375702645 /nfs/dbraw/zinc/70/26/45/375702645.db2.gz FXNQJYTZSGYSHO-GFCCVEGCSA-N 1 1 269.323 3.285 20 30 CGEDMO N#Cc1ccc2c(c1)[C@H]([NH2+]C1CC(N3CCCCC3)C1)CC2 ZINC000336373969 375783077 /nfs/dbraw/zinc/78/30/77/375783077.db2.gz ZSZBEHQNJWNCEB-FAFZWHIHSA-N 1 1 295.430 3.152 20 30 CGEDMO C=C(C)CC[N@H+](C)C1(C(=O)OCC)CCCCC1 ZINC000509035044 375770172 /nfs/dbraw/zinc/77/01/72/375770172.db2.gz UXUFUSQHAVCSKL-UHFFFAOYSA-N 1 1 253.386 3.150 20 30 CGEDMO C[N@H+]1CCCC12CCN(CCC1(C#N)CCCCC1)CC2 ZINC000336279056 375771198 /nfs/dbraw/zinc/77/11/98/375771198.db2.gz RLNBSMRMJCIXRQ-UHFFFAOYSA-N 1 1 289.467 3.411 20 30 CGEDMO N#C[C@H]1CCC[C@@H]([NH2+]C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000192921427 375803053 /nfs/dbraw/zinc/80/30/53/375803053.db2.gz XDRZAEUUUQXAQX-IPMKNSEASA-N 1 1 297.446 3.180 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(OC)cc1OCc1cccnc1 ZINC000514909694 375808444 /nfs/dbraw/zinc/80/84/44/375808444.db2.gz FBTMOVKOIKWPRM-UHFFFAOYSA-N 1 1 298.386 3.287 20 30 CGEDMO CC(C)O[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000516057178 375817958 /nfs/dbraw/zinc/81/79/58/375817958.db2.gz XUPZGOSOXBKCID-CQSZACIVSA-N 1 1 252.402 3.206 20 30 CGEDMO N#CCC1CC[NH+](Cc2cnc3ccc(Cl)cn23)CC1 ZINC000336391080 375786912 /nfs/dbraw/zinc/78/69/12/375786912.db2.gz SWRMZJSQOOQYGQ-UHFFFAOYSA-N 1 1 288.782 3.113 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000510767265 375787962 /nfs/dbraw/zinc/78/79/62/375787962.db2.gz VQGZVZDWCCVIMI-HDICACEKSA-N 1 1 270.420 3.016 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000510767265 375787964 /nfs/dbraw/zinc/78/79/64/375787964.db2.gz VQGZVZDWCCVIMI-HDICACEKSA-N 1 1 270.420 3.016 20 30 CGEDMO Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1nc(C#N)cs1 ZINC000336591604 375858415 /nfs/dbraw/zinc/85/84/15/375858415.db2.gz OBNJXLUOPZZZCB-AWEZNQCLSA-N 1 1 269.373 3.100 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@](C)(CCC)C1 ZINC000525268893 375881555 /nfs/dbraw/zinc/88/15/55/375881555.db2.gz VGJFXMILQJWQHP-QGZVFWFLSA-N 1 1 280.456 3.313 20 30 CGEDMO Cc1noc(C)c1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000193613694 375897563 /nfs/dbraw/zinc/89/75/63/375897563.db2.gz CQLYECRENKLMDA-UHFFFAOYSA-N 1 1 281.359 3.328 20 30 CGEDMO Cc1noc(C)c1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000193613694 375897568 /nfs/dbraw/zinc/89/75/68/375897568.db2.gz CQLYECRENKLMDA-UHFFFAOYSA-N 1 1 281.359 3.328 20 30 CGEDMO C=CC[N@H+]1CCCC[C@H]1c1nc2ccccc2n1C ZINC000532718153 375952663 /nfs/dbraw/zinc/95/26/63/375952663.db2.gz XJJUBQQIMXJIPK-HNNXBMFYSA-N 1 1 255.365 3.286 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1c1nc2ccccc2n1C ZINC000532718153 375952671 /nfs/dbraw/zinc/95/26/71/375952671.db2.gz XJJUBQQIMXJIPK-HNNXBMFYSA-N 1 1 255.365 3.286 20 30 CGEDMO CCC1(CC)CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000336853178 376013500 /nfs/dbraw/zinc/01/35/00/376013500.db2.gz DYXVFMXCSIGIPS-UHFFFAOYSA-N 1 1 299.418 3.399 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2C[C@H](C)C[C@H]2C)cc1OC ZINC000536659369 376111769 /nfs/dbraw/zinc/11/17/69/376111769.db2.gz YKHNSEOVKBVDKG-ZIAGYGMSSA-N 1 1 275.392 3.490 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337189434 376126154 /nfs/dbraw/zinc/12/61/54/376126154.db2.gz RGLOXSHDYQDHAX-CABCVRRESA-N 1 1 264.413 3.207 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)CCC)C1 ZINC000538139540 376223661 /nfs/dbraw/zinc/22/36/61/376223661.db2.gz SBQOFCCANSUFTO-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCc1cccc2ccccc21 ZINC000337685010 376234632 /nfs/dbraw/zinc/23/46/32/376234632.db2.gz PKZCXAIGXSLSRB-HNNXBMFYSA-N 1 1 296.414 3.005 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCO[C@@H](CCC)C2)cc1 ZINC000538727732 376262941 /nfs/dbraw/zinc/26/29/41/376262941.db2.gz SKNPHRMYVWWQQA-KRWDZBQOSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCO[C@@H](CCC)C2)cc1 ZINC000538727732 376262947 /nfs/dbraw/zinc/26/29/47/376262947.db2.gz SKNPHRMYVWWQQA-KRWDZBQOSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H](C3CC3)C2)cc1 ZINC000538753162 376269173 /nfs/dbraw/zinc/26/91/73/376269173.db2.gz ROVQHOAVKLYRIJ-MRXNPFEDSA-N 1 1 257.377 3.483 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCOC3(CCCC3)C2)c1 ZINC000539819425 376334532 /nfs/dbraw/zinc/33/45/32/376334532.db2.gz GKSLZOCLCRHAJQ-UHFFFAOYSA-N 1 1 287.403 3.396 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccncc1F ZINC000338355862 376347383 /nfs/dbraw/zinc/34/73/83/376347383.db2.gz LQMPQUPIDVKGRK-SNVBAGLBSA-N 1 1 273.286 3.082 20 30 CGEDMO C=CC[C@H](CC)NC(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000543071075 376602782 /nfs/dbraw/zinc/60/27/82/376602782.db2.gz SHCVQQZJZMKIJT-JKSUJKDBSA-N 1 1 295.471 3.151 20 30 CGEDMO C[C@@H]([NH2+][C@@H]1COc2ccc(F)cc21)c1cccc(C#N)c1 ZINC000334316257 206358766 /nfs/dbraw/zinc/35/87/66/206358766.db2.gz SFZVORZTGLCPJI-BDJLRTHQSA-N 1 1 282.318 3.482 20 30 CGEDMO C=CCOCC[N@H+]1CCc2c(Br)cccc2C1 ZINC000338945004 376593109 /nfs/dbraw/zinc/59/31/09/376593109.db2.gz KCWXFWOIALJBFO-UHFFFAOYSA-N 1 1 296.208 3.010 20 30 CGEDMO C=CCOCC[N@@H+]1CCc2c(Br)cccc2C1 ZINC000338945004 376593115 /nfs/dbraw/zinc/59/31/15/376593115.db2.gz KCWXFWOIALJBFO-UHFFFAOYSA-N 1 1 296.208 3.010 20 30 CGEDMO COc1cc(C[N@H+](C)Cc2ccoc2C)ccc1C#N ZINC000234931786 376625068 /nfs/dbraw/zinc/62/50/68/376625068.db2.gz AUPLYIYFUBRBTP-UHFFFAOYSA-N 1 1 270.332 3.100 20 30 CGEDMO COc1cc(C[N@@H+](C)Cc2ccoc2C)ccc1C#N ZINC000234931786 376625072 /nfs/dbraw/zinc/62/50/72/376625072.db2.gz AUPLYIYFUBRBTP-UHFFFAOYSA-N 1 1 270.332 3.100 20 30 CGEDMO COc1cc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)ccc1C#N ZINC000234978150 376626481 /nfs/dbraw/zinc/62/64/81/376626481.db2.gz RAWNALFWHXXYRD-ZDUSSCGKSA-N 1 1 298.308 3.341 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)ccc1C#N ZINC000234978150 376626490 /nfs/dbraw/zinc/62/64/90/376626490.db2.gz RAWNALFWHXXYRD-ZDUSSCGKSA-N 1 1 298.308 3.341 20 30 CGEDMO CC(C)CC[C@@H]1CCCC[N@H+]1CCOCCC#N ZINC000339049159 376644952 /nfs/dbraw/zinc/64/49/52/376644952.db2.gz USHXTRPDCGQTFZ-HNNXBMFYSA-N 1 1 252.402 3.207 20 30 CGEDMO C=CC[N@H+](Cc1cc2c(cc1OC)C[C@H](C)O2)C1CC1 ZINC000543624173 376661021 /nfs/dbraw/zinc/66/10/21/376661021.db2.gz MIVGFBPDPOBPDD-LBPRGKRZSA-N 1 1 273.376 3.169 20 30 CGEDMO C=CCOCC[N@H+](C)[C@H](CC)c1cccc(OC)c1 ZINC000339197456 376734581 /nfs/dbraw/zinc/73/45/81/376734581.db2.gz DCIPYZBRVOVWPJ-MRXNPFEDSA-N 1 1 263.381 3.281 20 30 CGEDMO N#CCCC[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000147508610 542098244 /nfs/dbraw/zinc/09/82/44/542098244.db2.gz SEQMPGWNMGTSSP-UHFFFAOYSA-N 1 1 298.217 3.419 20 30 CGEDMO CC(C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000245496053 376832724 /nfs/dbraw/zinc/83/27/24/376832724.db2.gz QRQYKJAVONZONV-CABCVRRESA-N 1 1 299.418 3.253 20 30 CGEDMO COc1ccc(C[N@H+](CCC#N)C(C)C)c(C)c1OC ZINC000554848730 376852852 /nfs/dbraw/zinc/85/28/52/376852852.db2.gz KZADLTZPKJBFIE-UHFFFAOYSA-N 1 1 276.380 3.136 20 30 CGEDMO COc1ccc(C[N@@H+](CCC#N)C(C)C)c(C)c1OC ZINC000554848730 376852861 /nfs/dbraw/zinc/85/28/61/376852861.db2.gz KZADLTZPKJBFIE-UHFFFAOYSA-N 1 1 276.380 3.136 20 30 CGEDMO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCCCC#N)C1 ZINC000246367535 377015005 /nfs/dbraw/zinc/01/50/05/377015005.db2.gz LLFAZAREBGTOGV-SJORKVTESA-N 1 1 277.456 3.267 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CCCCC#N)C1 ZINC000246367535 377015014 /nfs/dbraw/zinc/01/50/14/377015014.db2.gz LLFAZAREBGTOGV-SJORKVTESA-N 1 1 277.456 3.267 20 30 CGEDMO CCc1noc(C)c1C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000340441453 377058352 /nfs/dbraw/zinc/05/83/52/377058352.db2.gz YUSIDWDKAYGQCS-JTQLQIEISA-N 1 1 287.338 3.407 20 30 CGEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CC[C@H](CC3CC3)C2)c1 ZINC000559410975 377087815 /nfs/dbraw/zinc/08/78/15/377087815.db2.gz ZTOOJFICJWCXJY-MRXNPFEDSA-N 1 1 297.402 3.009 20 30 CGEDMO CC[N@H+](Cc1snnc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000559637058 377093800 /nfs/dbraw/zinc/09/38/00/377093800.db2.gz HJEPQMZBCFTHTF-LBPRGKRZSA-N 1 1 286.404 3.301 20 30 CGEDMO CC[N@@H+](Cc1snnc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000559637058 377093804 /nfs/dbraw/zinc/09/38/04/377093804.db2.gz HJEPQMZBCFTHTF-LBPRGKRZSA-N 1 1 286.404 3.301 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246815564 377094770 /nfs/dbraw/zinc/09/47/70/377094770.db2.gz REZWONOPZNGQEG-RDJZCZTQSA-N 1 1 289.467 3.265 20 30 CGEDMO CC[C@]1(C)CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000247245840 377182595 /nfs/dbraw/zinc/18/25/95/377182595.db2.gz DRABIMRMOFAIKK-RDTXWAMCSA-N 1 1 299.418 3.397 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000247578304 377226449 /nfs/dbraw/zinc/22/64/49/377226449.db2.gz SMNFPFSTRIYNHS-MLGOLLRUSA-N 1 1 258.340 3.462 20 30 CGEDMO C=C(C)CC[N@@H+](C[C@H](C)c1ccccc1)[C@@H](C)CO ZINC000561910429 377251782 /nfs/dbraw/zinc/25/17/82/377251782.db2.gz WUFLPUZHJAHNJF-HOTGVXAUSA-N 1 1 261.409 3.439 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1F)C1Cc2ccccc2C1 ZINC000340944582 377332520 /nfs/dbraw/zinc/33/25/20/377332520.db2.gz AIGOUYVJQVTJCB-UHFFFAOYSA-N 1 1 280.346 3.297 20 30 CGEDMO CC(C)[NH2+]CCCN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000562956425 377379505 /nfs/dbraw/zinc/37/95/05/377379505.db2.gz SXCJKEVNTODQLY-SFHVURJKSA-N 1 1 285.435 3.303 20 30 CGEDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000563216235 377421170 /nfs/dbraw/zinc/42/11/70/377421170.db2.gz UATZHDSIRIIMRA-FZMZJTMJSA-N 1 1 273.336 3.087 20 30 CGEDMO CC[C@]1(CO)CCC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000249002240 377442902 /nfs/dbraw/zinc/44/29/02/377442902.db2.gz YXUPQMNBNQFUEL-PBHICJAKSA-N 1 1 272.392 3.104 20 30 CGEDMO C=CCCCCCNC(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000565210101 377485979 /nfs/dbraw/zinc/48/59/79/377485979.db2.gz YZZLBIPIHCLHNF-HNNXBMFYSA-N 1 1 266.429 3.114 20 30 CGEDMO C#CC(C)(C)NC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000265162668 190162646 /nfs/dbraw/zinc/16/26/46/190162646.db2.gz BYFKAUMKZVQUIE-UHFFFAOYSA-N 1 1 286.419 3.059 20 30 CGEDMO C=CCCCC[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000572333871 377548004 /nfs/dbraw/zinc/54/80/04/377548004.db2.gz KSHNYVYJAOIDSW-OWCLPIDISA-N 1 1 267.413 3.001 20 30 CGEDMO C=CCOCC[N@H+](Cc1ccc(OC)cc1)[C@H](C)C1CC1 ZINC000572608200 377549582 /nfs/dbraw/zinc/54/95/82/377549582.db2.gz ZAENBVDGXPBZTM-OAHLLOKOSA-N 1 1 289.419 3.498 20 30 CGEDMO COc1ccc(C)[nH+]c1NCc1ccc(C#N)c(C)c1 ZINC000443980786 249137727 /nfs/dbraw/zinc/13/77/27/249137727.db2.gz AAENXMYJKOAZKW-UHFFFAOYSA-N 1 1 267.332 3.191 20 30 CGEDMO CC[C@H](CSC)[N@@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000516604564 249238285 /nfs/dbraw/zinc/23/82/85/249238285.db2.gz YBBCCPZLDJSNQL-OAHLLOKOSA-N 1 1 262.422 3.440 20 30 CGEDMO C[C@H]([N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-])C(C)(C)C ZINC000517238466 249260842 /nfs/dbraw/zinc/26/08/42/249260842.db2.gz BVHBICULXSPZGB-NSHDSACASA-N 1 1 275.352 3.333 20 30 CGEDMO C=CC[C@@H](CC)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000341657045 377609996 /nfs/dbraw/zinc/60/99/96/377609996.db2.gz VDMOCNPXLCLEGD-SJORKVTESA-N 1 1 286.419 3.122 20 30 CGEDMO C[N@@H+](CCOc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000342696707 377741750 /nfs/dbraw/zinc/74/17/50/377741750.db2.gz RHAQBMXMTHDFRB-UHFFFAOYSA-N 1 1 280.371 3.263 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000342716374 377751097 /nfs/dbraw/zinc/75/10/97/377751097.db2.gz DEHLUAPXXGAREK-QGZVFWFLSA-N 1 1 286.419 3.030 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc(-c2ccc(F)cc2)no1 ZINC000342729538 377760518 /nfs/dbraw/zinc/76/05/18/377760518.db2.gz FVQBSORJCDYNLT-UHFFFAOYSA-N 1 1 260.312 3.489 20 30 CGEDMO N#Cc1cccc(OCC[N@H+]2CCC[C@H]2C2CCC2)c1 ZINC000342995984 377879142 /nfs/dbraw/zinc/87/91/42/377879142.db2.gz AONQSLCYOWMUAD-KRWDZBQOSA-N 1 1 270.376 3.202 20 30 CGEDMO CCC[NH+]1CCC(N(C)Cc2ccc(CC#N)cc2)CC1 ZINC000343550658 378017581 /nfs/dbraw/zinc/01/75/81/378017581.db2.gz AYOZXIKIBWAOHQ-UHFFFAOYSA-N 1 1 285.435 3.059 20 30 CGEDMO CCCN1CCC([N@H+](C)Cc2ccc(CC#N)cc2)CC1 ZINC000343550658 378017587 /nfs/dbraw/zinc/01/75/87/378017587.db2.gz AYOZXIKIBWAOHQ-UHFFFAOYSA-N 1 1 285.435 3.059 20 30 CGEDMO CCCN1CCC([N@@H+](C)Cc2ccc(CC#N)cc2)CC1 ZINC000343550658 378017592 /nfs/dbraw/zinc/01/75/92/378017592.db2.gz AYOZXIKIBWAOHQ-UHFFFAOYSA-N 1 1 285.435 3.059 20 30 CGEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000264577865 377990053 /nfs/dbraw/zinc/99/00/53/377990053.db2.gz ULECULWKVMWKMF-OKILXGFUSA-N 1 1 258.365 3.352 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)C[C@@H](C#N)CCC#N ZINC000264851192 377994967 /nfs/dbraw/zinc/99/49/67/377994967.db2.gz JDNLRASXYWDGFB-QGZVFWFLSA-N 1 1 267.376 3.161 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)C[C@@H](C#N)CCC#N ZINC000264851192 377994973 /nfs/dbraw/zinc/99/49/73/377994973.db2.gz JDNLRASXYWDGFB-QGZVFWFLSA-N 1 1 267.376 3.161 20 30 CGEDMO COc1cc([C@H](C)[NH2+]CC2(C#N)CC2)ccc1OC(C)C ZINC000343584497 378028838 /nfs/dbraw/zinc/02/88/38/378028838.db2.gz VZWFONQTRBORPA-ZDUSSCGKSA-N 1 1 288.391 3.437 20 30 CGEDMO CC[C@H]1CCCC[C@H]1[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000578370002 378062860 /nfs/dbraw/zinc/06/28/60/378062860.db2.gz MAZWBLHQMIBNGM-GOEBONIOSA-N 1 1 259.397 3.297 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000268580658 378076411 /nfs/dbraw/zinc/07/64/11/378076411.db2.gz SWRSXKWQXNDAJF-AAEUAGOBSA-N 1 1 268.426 3.080 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000343751380 378082327 /nfs/dbraw/zinc/08/23/27/378082327.db2.gz QRWATUWLVISQSP-LLVKDONJSA-N 1 1 287.329 3.194 20 30 CGEDMO C#CCC[N@@H+](CC)CC(=O)Nc1c(Cl)cccc1Cl ZINC000268721328 378095476 /nfs/dbraw/zinc/09/54/76/378095476.db2.gz OPRKWMNRRLCLLA-UHFFFAOYSA-N 1 1 299.201 3.277 20 30 CGEDMO C#CCC[N@H+](CC)CC(=O)Nc1c(Cl)cccc1Cl ZINC000268721328 378095481 /nfs/dbraw/zinc/09/54/81/378095481.db2.gz OPRKWMNRRLCLLA-UHFFFAOYSA-N 1 1 299.201 3.277 20 30 CGEDMO CC[N@H+]1C[C@H](C)N(c2cc(C#N)c3ccccc3n2)C[C@@H]1C ZINC000345155527 378207042 /nfs/dbraw/zinc/20/70/42/378207042.db2.gz XIKXQCXHYYTSOI-KBPBESRZSA-N 1 1 294.402 3.025 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000579964439 378213285 /nfs/dbraw/zinc/21/32/85/378213285.db2.gz HGFWOEOAYKIYQO-OLZOCXBDSA-N 1 1 287.363 3.334 20 30 CGEDMO C=C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000580902710 378267388 /nfs/dbraw/zinc/26/73/88/378267388.db2.gz NEPONAVPJPLTIY-ROUUACIJSA-N 1 1 298.430 3.076 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CCCn1c2ccccc2[nH]c1=O ZINC000580146081 378228062 /nfs/dbraw/zinc/22/80/62/378228062.db2.gz QBBCGQKZXPJIRH-AWEZNQCLSA-N 1 1 285.391 3.173 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)nc1 ZINC000583820078 378350935 /nfs/dbraw/zinc/35/09/35/378350935.db2.gz BVFDHDZMGHYQEH-SFHVURJKSA-N 1 1 292.386 3.030 20 30 CGEDMO COc1c(C)c[nH+]c(CN(C)[C@@H](C#N)c2ccccc2)c1C ZINC000595508770 378402372 /nfs/dbraw/zinc/40/23/72/378402372.db2.gz KWQINUXJYXAYPW-KRWDZBQOSA-N 1 1 295.386 3.404 20 30 CGEDMO C#CCCC[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000271062431 378446090 /nfs/dbraw/zinc/44/60/90/378446090.db2.gz SWAKECFZHOATTJ-CQSZACIVSA-N 1 1 263.406 3.143 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](COC)C2)cc1Cl ZINC000271160383 378466558 /nfs/dbraw/zinc/46/65/58/378466558.db2.gz FKGKUBOFPGORDC-AWEZNQCLSA-N 1 1 295.810 3.373 20 30 CGEDMO Cn1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000271043835 378435511 /nfs/dbraw/zinc/43/55/11/378435511.db2.gz KLPREAIQYUDCHI-UHFFFAOYSA-N 1 1 265.360 3.061 20 30 CGEDMO CC[N@H+](CCC#N)Cc1cc(Cl)cc(C)c1O ZINC000271790108 378503871 /nfs/dbraw/zinc/50/38/71/378503871.db2.gz IQAJWYSZOXCQKF-UHFFFAOYSA-N 1 1 252.745 3.090 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1cc(Cl)cc(C)c1O ZINC000271790108 378503875 /nfs/dbraw/zinc/50/38/75/378503875.db2.gz IQAJWYSZOXCQKF-UHFFFAOYSA-N 1 1 252.745 3.090 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)CC(C)(C)C1 ZINC000346320315 378541316 /nfs/dbraw/zinc/54/13/16/378541316.db2.gz GCVPJYFFFULONO-CYBMUJFWSA-N 1 1 282.391 3.074 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(COC)o1 ZINC000272620343 378678329 /nfs/dbraw/zinc/67/83/29/378678329.db2.gz LSKXVTNLYLOWSU-UHFFFAOYSA-N 1 1 275.348 3.250 20 30 CGEDMO COC(C)(C)CC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000346624846 378650556 /nfs/dbraw/zinc/65/05/56/378650556.db2.gz WSKKWKSEMONNBE-UHFFFAOYSA-N 1 1 284.403 3.462 20 30 CGEDMO Cc1cc(C2CC[NH+](CC#Cc3ccc(F)cc3)CC2)n[nH]1 ZINC000273052185 378736243 /nfs/dbraw/zinc/73/62/43/378736243.db2.gz YNPHCGFKCDSDAW-UHFFFAOYSA-N 1 1 297.377 3.088 20 30 CGEDMO C=CCOCCC[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000348040559 378763393 /nfs/dbraw/zinc/76/33/93/378763393.db2.gz DQZGUWWACAJVPK-INIZCTEOSA-N 1 1 277.433 3.369 20 30 CGEDMO C=CCOCCC[N@@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000348044413 378764350 /nfs/dbraw/zinc/76/43/50/378764350.db2.gz HNVQZJFQCCIYRB-ZFWWWQNUSA-N 1 1 281.421 3.103 20 30 CGEDMO C=CCOCCC[N@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000348044413 378764353 /nfs/dbraw/zinc/76/43/53/378764353.db2.gz HNVQZJFQCCIYRB-ZFWWWQNUSA-N 1 1 281.421 3.103 20 30 CGEDMO CC#CCC[N@@H+](C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000274202166 378792243 /nfs/dbraw/zinc/79/22/43/378792243.db2.gz UJAQYCUCJCXMFH-DLBZAZTESA-N 1 1 275.367 3.391 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCCC3(CCC3)C2)ccc1F ZINC000348191610 378831572 /nfs/dbraw/zinc/83/15/72/378831572.db2.gz FEWUYVJPFHSCIT-UHFFFAOYSA-N 1 1 258.340 3.463 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H]1CCSC1 ZINC000278507813 194018491 /nfs/dbraw/zinc/01/84/91/194018491.db2.gz WKHWOUOVNFCNNU-HNNXBMFYSA-N 1 1 277.433 3.436 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+](C)CCCC2CCCCC2)C1=O ZINC000348282962 378884184 /nfs/dbraw/zinc/88/41/84/378884184.db2.gz BCIUPGCVZMDAJE-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO COC[C@@H]([NH2+]CC1(CC#N)CC1)c1cccc(Cl)c1F ZINC000348288382 378887762 /nfs/dbraw/zinc/88/77/62/378887762.db2.gz JOYXCYVVGLNOQQ-CYBMUJFWSA-N 1 1 296.773 3.450 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000276667699 378977217 /nfs/dbraw/zinc/97/72/17/378977217.db2.gz RGMKJFPXZOCSDX-KRWDZBQOSA-N 1 1 298.430 3.124 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)[C@H]2CCC[C@@H]2O)cc1Cl ZINC000348545311 378986335 /nfs/dbraw/zinc/98/63/35/378986335.db2.gz KNNWETIQYDCSEI-GJZGRUSLSA-N 1 1 295.810 3.250 20 30 CGEDMO C=CCC[C@@H](C)[NH2+]Cc1noc(-c2ccccc2C)n1 ZINC000276793303 378998409 /nfs/dbraw/zinc/99/84/09/378998409.db2.gz UFAXGHUIYUXKFF-CYBMUJFWSA-N 1 1 271.364 3.489 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@H]2COc3c2cccc3Cl)s1 ZINC000370463297 379020708 /nfs/dbraw/zinc/02/07/08/379020708.db2.gz JUEWLXZPJKQLIP-ZDUSSCGKSA-N 1 1 290.775 3.496 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](Oc3ccccc3)C2)o1 ZINC000371412669 379159102 /nfs/dbraw/zinc/15/91/02/379159102.db2.gz IRUNCNNWLLZOBB-INIZCTEOSA-N 1 1 282.343 3.195 20 30 CGEDMO CC[C@@H](NC1CC[NH+](CC2CC2)CC1)c1ccc(C#N)cc1 ZINC000278151436 379302553 /nfs/dbraw/zinc/30/25/53/379302553.db2.gz AAZWRWPQXFMMPH-LJQANCHMSA-N 1 1 297.446 3.473 20 30 CGEDMO CC[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(C#N)cc1 ZINC000278151436 379302561 /nfs/dbraw/zinc/30/25/61/379302561.db2.gz AAZWRWPQXFMMPH-LJQANCHMSA-N 1 1 297.446 3.473 20 30 CGEDMO Cc1nc(F)ccc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000278453820 379391596 /nfs/dbraw/zinc/39/15/96/379391596.db2.gz NOXDIWGLFCOMIZ-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO CC[C@H]([NH2+]C1CCN(C(C)C)CC1)c1ccc(C#N)cc1 ZINC000278391814 379370190 /nfs/dbraw/zinc/37/01/90/379370190.db2.gz DVBSBGKOOLRHKY-SFHVURJKSA-N 1 1 285.435 3.472 20 30 CGEDMO CC[C@H](NC1CC[NH+](C(C)C)CC1)c1ccc(C#N)cc1 ZINC000278391814 379370196 /nfs/dbraw/zinc/37/01/96/379370196.db2.gz DVBSBGKOOLRHKY-SFHVURJKSA-N 1 1 285.435 3.472 20 30 CGEDMO C#CC(C)(C)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000279370002 379419910 /nfs/dbraw/zinc/41/99/10/379419910.db2.gz XAGJEPOIAMAEEB-UHFFFAOYSA-N 1 1 299.201 3.276 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000279370002 379419915 /nfs/dbraw/zinc/41/99/15/379419915.db2.gz XAGJEPOIAMAEEB-UHFFFAOYSA-N 1 1 299.201 3.276 20 30 CGEDMO C[C@@H](CC1CCOCC1)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000350003509 379475988 /nfs/dbraw/zinc/47/59/88/379475988.db2.gz BBPRYVSVSKWPMN-HNNXBMFYSA-N 1 1 286.419 3.443 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(SC)cc2)n1 ZINC000279645272 379480080 /nfs/dbraw/zinc/48/00/80/379480080.db2.gz AQNQESNRXFLCEK-UHFFFAOYSA-N 1 1 299.443 3.260 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)Cc2ccc(SC)cc2)n1 ZINC000279645272 379480084 /nfs/dbraw/zinc/48/00/84/379480084.db2.gz AQNQESNRXFLCEK-UHFFFAOYSA-N 1 1 299.443 3.260 20 30 CGEDMO CC[N@H+](Cc1ccc(C)cc1-c1cnn(C)c1)C[C@H](C)C#N ZINC000375026856 379485588 /nfs/dbraw/zinc/48/55/88/379485588.db2.gz GAQFJVKSSSQLPI-OAHLLOKOSA-N 1 1 296.418 3.377 20 30 CGEDMO C=CC[N@H+](Cc1cc(OC)cc2c1O[C@H](C)C2)C1CC1 ZINC000350316696 379538734 /nfs/dbraw/zinc/53/87/34/379538734.db2.gz KUBINNXUNOWRHT-GFCCVEGCSA-N 1 1 273.376 3.169 20 30 CGEDMO CO[C@]1(C)CCC[N@@H+](CC(C)(C)CCC#N)CC1 ZINC000376011920 379519718 /nfs/dbraw/zinc/51/97/18/379519718.db2.gz BVLZOOPOVKZUQG-OAHLLOKOSA-N 1 1 252.402 3.207 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639793070 379585890 /nfs/dbraw/zinc/58/58/90/379585890.db2.gz SCEIJBUQSVOZNE-HNNXBMFYSA-N 1 1 267.376 3.385 20 30 CGEDMO C=CC[N@H+](C[C@@H](C)CC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000350986751 379621334 /nfs/dbraw/zinc/62/13/34/379621334.db2.gz GCRBWLJCOCUBEK-LSDHHAIUSA-N 1 1 299.422 3.257 20 30 CGEDMO N#Cc1csc(C[NH+]2CC(c3ccccc3F)C2)c1 ZINC000334604387 206788180 /nfs/dbraw/zinc/78/81/80/206788180.db2.gz FMLNUCXXBKPMSW-UHFFFAOYSA-N 1 1 272.348 3.358 20 30 CGEDMO C=C(C)CC[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000351849564 379746318 /nfs/dbraw/zinc/74/63/18/379746318.db2.gz DZWRPEQPOBKVQT-UHFFFAOYSA-N 1 1 267.376 3.197 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCSC2(CCOCC2)C1 ZINC000352038147 379753022 /nfs/dbraw/zinc/75/30/22/379753022.db2.gz DZPSFEAMRBVYCP-CQSZACIVSA-N 1 1 269.454 3.329 20 30 CGEDMO CSc1ccc(C[NH+]2CCC(F)(C#N)CC2)cc1 ZINC000352441736 379816115 /nfs/dbraw/zinc/81/61/15/379816115.db2.gz BXOAVIXWEFQVLE-UHFFFAOYSA-N 1 1 264.369 3.236 20 30 CGEDMO CC(C)Oc1ccc(C[NH+]2CCC(F)(C#N)CC2)cc1 ZINC000352458422 379823807 /nfs/dbraw/zinc/82/38/07/379823807.db2.gz KFXZQFCEQNWLKV-UHFFFAOYSA-N 1 1 276.355 3.301 20 30 CGEDMO CCOC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)o1 ZINC000267647168 190343982 /nfs/dbraw/zinc/34/39/82/190343982.db2.gz LOUOZIDPWXABMQ-LBPRGKRZSA-N 1 1 298.342 3.179 20 30 CGEDMO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000267874469 190359762 /nfs/dbraw/zinc/35/97/62/190359762.db2.gz MMBMZZKGGMYHKS-OAHLLOKOSA-N 1 1 272.392 3.304 20 30 CGEDMO CC[N@@H+](CCC1(C#N)CCCCC1)C[C@@H]1CCCO1 ZINC000411223679 380136096 /nfs/dbraw/zinc/13/60/96/380136096.db2.gz PJRQATPCLCNXGO-HNNXBMFYSA-N 1 1 264.413 3.351 20 30 CGEDMO C[C@@]1(CCCO)CCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411439495 380146537 /nfs/dbraw/zinc/14/65/37/380146537.db2.gz MVWZBNTWJNTSLB-INIZCTEOSA-N 1 1 278.440 3.478 20 30 CGEDMO C=CCn1cc(C[NH2+][C@@H](c2ccccc2)C2CCC2)nn1 ZINC000641781105 380096107 /nfs/dbraw/zinc/09/61/07/380096107.db2.gz SDQAEOSDIQLTEU-KRWDZBQOSA-N 1 1 282.391 3.095 20 30 CGEDMO C=CCC1(C(=O)N2C[C@H](C)[N@@H+](CC)C[C@H]2C)CCCC1 ZINC000410631752 380107575 /nfs/dbraw/zinc/10/75/75/380107575.db2.gz ANFJUFCHJDUYHQ-LSDHHAIUSA-N 1 1 278.440 3.064 20 30 CGEDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1CCC1(C#N)CCCCC1 ZINC000411168895 380131432 /nfs/dbraw/zinc/13/14/32/380131432.db2.gz QVXWIKFJEQVQKC-LSDHHAIUSA-N 1 1 264.413 3.350 20 30 CGEDMO C[C@H](CN[C@H]1CCc2ccc(C#N)cc21)C[NH+]1CCCCC1 ZINC000353383234 380204804 /nfs/dbraw/zinc/20/48/04/380204804.db2.gz IREXUOUCHMDGAR-BEFAXECRSA-N 1 1 297.446 3.257 20 30 CGEDMO CC(C)(CC#N)C[NH2+][C@H](c1ncc[nH]1)c1ccccc1 ZINC000414159182 380193654 /nfs/dbraw/zinc/19/36/54/380193654.db2.gz AZFRXVOAYPGORJ-AWEZNQCLSA-N 1 1 268.364 3.029 20 30 CGEDMO C[C@@H]1CC[C@@](CO)([N@@H+](C)CCC2(C#N)CCCCC2)C1 ZINC000411574542 380150966 /nfs/dbraw/zinc/15/09/66/380150966.db2.gz WEFHJIRCTUGSJG-NVXWUHKLSA-N 1 1 278.440 3.333 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1nc2ccc(Cl)cc2n1C ZINC000353170625 380151142 /nfs/dbraw/zinc/15/11/42/380151142.db2.gz IKOWWEBAVCQWDL-UHFFFAOYSA-N 1 1 263.772 3.235 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1nc2ccc(Cl)cc2n1C ZINC000353170625 380151147 /nfs/dbraw/zinc/15/11/47/380151147.db2.gz IKOWWEBAVCQWDL-UHFFFAOYSA-N 1 1 263.772 3.235 20 30 CGEDMO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000414310115 380211356 /nfs/dbraw/zinc/21/13/56/380211356.db2.gz WBBRMFIYEPLVIN-QRVBRYPASA-N 1 1 284.447 3.390 20 30 CGEDMO Cn1nccc1-c1ccccc1C[N@@H+](C)CC(C)(C)C#N ZINC000354016801 380279872 /nfs/dbraw/zinc/27/98/72/380279872.db2.gz DAMSHFXFSCSGCT-UHFFFAOYSA-N 1 1 282.391 3.069 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)cc1 ZINC000354025333 380286133 /nfs/dbraw/zinc/28/61/33/380286133.db2.gz BZVMHILNVHVKJK-AWEZNQCLSA-N 1 1 270.376 3.375 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C[C@@H](C)C#N)C2CC2)cc1 ZINC000354025333 380286138 /nfs/dbraw/zinc/28/61/38/380286138.db2.gz BZVMHILNVHVKJK-AWEZNQCLSA-N 1 1 270.376 3.375 20 30 CGEDMO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(F)cc2C#N)C1(C)C ZINC000354471361 380451868 /nfs/dbraw/zinc/45/18/68/380451868.db2.gz ZIRLJGGNSLJURQ-HZPDHXFCSA-N 1 1 290.382 3.333 20 30 CGEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)cc2C#N)C1(C)C ZINC000354471361 380451874 /nfs/dbraw/zinc/45/18/74/380451874.db2.gz ZIRLJGGNSLJURQ-HZPDHXFCSA-N 1 1 290.382 3.333 20 30 CGEDMO N#Cc1cccc(OCCC[N@H+]2CC[C@H]3CCC[C@@H]32)c1 ZINC000355100484 380571179 /nfs/dbraw/zinc/57/11/79/380571179.db2.gz HMUAMAOTWZOJCO-WBVHZDCISA-N 1 1 270.376 3.202 20 30 CGEDMO C=C[C@H]1CCCCN1c1[nH+]cnc2[nH]c(C)c(C)c21 ZINC000645228305 380624575 /nfs/dbraw/zinc/62/45/75/380624575.db2.gz UVUOZSNEVFEIGO-LBPRGKRZSA-N 1 1 256.353 3.120 20 30 CGEDMO C=CCc1cc(C[N@@H+]2CC[C@@](C)(F)C2)cc(OC)c1O ZINC000355356089 380655841 /nfs/dbraw/zinc/65/58/41/380655841.db2.gz PXSZNFPDTFLVHM-MRXNPFEDSA-N 1 1 279.355 3.063 20 30 CGEDMO C=CCc1cc(C[N@H+]2CC[C@@](C)(F)C2)cc(OC)c1O ZINC000355356089 380655846 /nfs/dbraw/zinc/65/58/46/380655846.db2.gz PXSZNFPDTFLVHM-MRXNPFEDSA-N 1 1 279.355 3.063 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCC[C@H]1C ZINC000355683725 380750514 /nfs/dbraw/zinc/75/05/14/380750514.db2.gz OABGLMNUFPMFMB-PBHICJAKSA-N 1 1 272.392 3.195 20 30 CGEDMO CC#CC[N@H+](CCCC)[C@@H]1CCc2ncsc2C1 ZINC000646129955 380848027 /nfs/dbraw/zinc/84/80/27/380848027.db2.gz XVVFTYHVTZGJPY-CYBMUJFWSA-N 1 1 262.422 3.126 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000420923592 380859635 /nfs/dbraw/zinc/85/96/35/380859635.db2.gz IDGFRHBSDJUQOZ-QWHCGFSZSA-N 1 1 253.386 3.005 20 30 CGEDMO C[C@@H](CN1CCCCCC1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421346081 380885196 /nfs/dbraw/zinc/88/51/96/380885196.db2.gz SEUOYGGIJHPQNP-AWEZNQCLSA-N 1 1 289.398 3.051 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)C[C@H](C)c2ccc(F)cc2)n1 ZINC000279343765 194392529 /nfs/dbraw/zinc/39/25/29/194392529.db2.gz FHTOBLCDFFHEOV-HNNXBMFYSA-N 1 1 299.393 3.281 20 30 CGEDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(C#N)cc1OC ZINC000357556524 381206973 /nfs/dbraw/zinc/20/69/73/381206973.db2.gz UXMXYBDINMWTAJ-SWLSCSKDSA-N 1 1 258.365 3.330 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)[C@@H]1C ZINC000357716878 381264254 /nfs/dbraw/zinc/26/42/54/381264254.db2.gz PEMKIXRWZYSIHH-ZIAGYGMSSA-N 1 1 267.376 3.431 20 30 CGEDMO C=C(CC)C[N@@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000358496019 381311820 /nfs/dbraw/zinc/31/18/20/381311820.db2.gz IYRXRFXPFXVANE-SCLBCKFNSA-N 1 1 265.422 3.383 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000358623765 381318934 /nfs/dbraw/zinc/31/89/34/381318934.db2.gz HMIAEMSTALJENL-OAHLLOKOSA-N 1 1 287.407 3.007 20 30 CGEDMO CC(C)[N@H+]1CCCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC000360053466 381427033 /nfs/dbraw/zinc/42/70/33/381427033.db2.gz KTZIHMPRMDATNP-UHFFFAOYSA-N 1 1 291.826 3.128 20 30 CGEDMO C=C(CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000360223092 381487545 /nfs/dbraw/zinc/48/75/45/381487545.db2.gz XZFRFHQQYYUKAB-KRWDZBQOSA-N 1 1 286.419 3.081 20 30 CGEDMO CN(C)Cc1ccc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)cc1F ZINC000361426081 381744202 /nfs/dbraw/zinc/74/42/02/381744202.db2.gz LKZFIRYNCAVHEP-CJNGLKHVSA-N 1 1 289.398 3.059 20 30 CGEDMO CCCCCCC[N@@H+](C)CC(=O)NCc1cccs1 ZINC000740877659 572465243 /nfs/dbraw/zinc/46/52/43/572465243.db2.gz VTNKNEGAEVLJBG-UHFFFAOYSA-N 1 1 282.453 3.267 20 30 CGEDMO CC(C)(C)[C@@H]1CCC[N@@H+](CCCSCC#N)C1 ZINC000361544156 381794524 /nfs/dbraw/zinc/79/45/24/381794524.db2.gz SJQGFZGKWGDVGJ-CYBMUJFWSA-N 1 1 254.443 3.391 20 30 CGEDMO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@H]1CCC(C)(C)C1 ZINC000361469590 381760818 /nfs/dbraw/zinc/76/08/18/381760818.db2.gz MVGRSKIMZJKHTQ-HNNXBMFYSA-N 1 1 285.391 3.007 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+]1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000362091974 381882195 /nfs/dbraw/zinc/88/21/95/381882195.db2.gz ZJIUYMBUDRIBND-GOEBONIOSA-N 1 1 277.412 3.021 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H]2CC)c1C ZINC000362229297 381912387 /nfs/dbraw/zinc/91/23/87/381912387.db2.gz QIXXZZGEMVXXJO-OAHLLOKOSA-N 1 1 274.408 3.348 20 30 CGEDMO COCC[N@@H+](Cc1ccc(CC#N)cc1)[C@H]1CC[C@@H](C)C1 ZINC000362157827 381891502 /nfs/dbraw/zinc/89/15/02/381891502.db2.gz QPXPURZSWGMIED-QAPCUYQASA-N 1 1 286.419 3.390 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000367966198 382361251 /nfs/dbraw/zinc/36/12/51/382361251.db2.gz OJFNZGGSQWPWKU-KGLIPLIRSA-N 1 1 264.413 3.206 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)o1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000353748550 220300632 /nfs/dbraw/zinc/30/06/32/220300632.db2.gz QQZKMCXMMGQVST-XHSDSOJGSA-N 1 1 288.391 3.177 20 30 CGEDMO COc1cc([C@@H](C)[NH2+]CC2(C#N)CC2)ccc1OC(C)C ZINC000343584491 533113986 /nfs/dbraw/zinc/11/39/86/533113986.db2.gz VZWFONQTRBORPA-CYBMUJFWSA-N 1 1 288.391 3.437 20 30 CGEDMO CCOC[C@@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000336806368 262395797 /nfs/dbraw/zinc/39/57/97/262395797.db2.gz VZMHXQWLOMXLSN-OAHLLOKOSA-N 1 1 266.429 3.455 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2C[C@H](O)C[C@H]2c2cccc(F)c2)c1 ZINC000281565290 195290277 /nfs/dbraw/zinc/29/02/77/195290277.db2.gz CZWJRPSFFBBEMH-MSOLQXFVSA-N 1 1 296.345 3.005 20 30 CGEDMO N#Cc1cccc(C[N@H+]2C[C@H](O)C[C@H]2c2cccc(F)c2)c1 ZINC000281565290 195290278 /nfs/dbraw/zinc/29/02/78/195290278.db2.gz CZWJRPSFFBBEMH-MSOLQXFVSA-N 1 1 296.345 3.005 20 30 CGEDMO C=CC[N@@H+](CCc1ccncc1)Cc1cccc(C#N)c1 ZINC000063300855 392136533 /nfs/dbraw/zinc/13/65/33/392136533.db2.gz CFPHACCJRUWCDA-UHFFFAOYSA-N 1 1 277.371 3.184 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)Cc1c[nH]nc1-c1cccnc1 ZINC000093100914 392234346 /nfs/dbraw/zinc/23/43/46/392234346.db2.gz SLMUKOFUIASDJU-UHFFFAOYSA-N 1 1 297.406 3.233 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)Cc1c[nH]nc1-c1cccnc1 ZINC000093100914 392234348 /nfs/dbraw/zinc/23/43/48/392234348.db2.gz SLMUKOFUIASDJU-UHFFFAOYSA-N 1 1 297.406 3.233 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000093533603 392238950 /nfs/dbraw/zinc/23/89/50/392238950.db2.gz CGPRUWLDCSLEIW-UHFFFAOYSA-N 1 1 294.351 3.010 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000575097163 335064582 /nfs/dbraw/zinc/06/45/82/335064582.db2.gz WGCBWIMKRSAZIV-QGZVFWFLSA-N 1 1 257.377 3.422 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(OC)ccn1 ZINC000106933544 392313059 /nfs/dbraw/zinc/31/30/59/392313059.db2.gz CTUOKBHFGYVZTR-UHFFFAOYSA-N 1 1 295.386 3.374 20 30 CGEDMO C#CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1nc(C(C)C)no1 ZINC000285134470 392319698 /nfs/dbraw/zinc/31/96/98/392319698.db2.gz ODJQVLFOYSUYDK-GOEBONIOSA-N 1 1 297.402 3.478 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c(F)c1 ZINC000106000085 392298212 /nfs/dbraw/zinc/29/82/12/392298212.db2.gz CXVJDRSXPKFHJS-GFCCVEGCSA-N 1 1 286.272 3.472 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c(F)c1 ZINC000106000085 392298215 /nfs/dbraw/zinc/29/82/15/392298215.db2.gz CXVJDRSXPKFHJS-GFCCVEGCSA-N 1 1 286.272 3.472 20 30 CGEDMO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2ccc(C#N)c(F)c2)C1(C)C ZINC000361830015 392335154 /nfs/dbraw/zinc/33/51/54/392335154.db2.gz POGNKAVTMATEQR-NVXWUHKLSA-N 1 1 290.382 3.333 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000361866695 392348393 /nfs/dbraw/zinc/34/83/93/392348393.db2.gz WLYDSASXJDPQQH-NSHDSACASA-N 1 1 299.305 3.456 20 30 CGEDMO C=CCCCCC[N@@H+]1CCn2c(Br)cnc2C1 ZINC000285427110 392322940 /nfs/dbraw/zinc/32/29/40/392322940.db2.gz WGIZJYABXHPGTA-UHFFFAOYSA-N 1 1 298.228 3.208 20 30 CGEDMO C=CCCCCC[N@H+]1CCn2c(Br)cnc2C1 ZINC000285427110 392322946 /nfs/dbraw/zinc/32/29/46/392322946.db2.gz WGIZJYABXHPGTA-UHFFFAOYSA-N 1 1 298.228 3.208 20 30 CGEDMO C=CCC[C@@H]([NH2+]Cc1cccnc1OC)c1ccco1 ZINC000285530731 392324467 /nfs/dbraw/zinc/32/44/67/392324467.db2.gz FMNYSSYDLOKIJB-CQSZACIVSA-N 1 1 272.348 3.480 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@@H](C)c1ccc(OC)cc1 ZINC000245999412 131090072 /nfs/dbraw/zinc/09/00/72/131090072.db2.gz IFMKZZZSXBDAJA-ZFWWWQNUSA-N 1 1 263.381 3.015 20 30 CGEDMO Cc1[nH+]ccn1CCCCNc1nc(Cl)c(C#N)s1 ZINC000286031996 392366177 /nfs/dbraw/zinc/36/61/77/392366177.db2.gz BBFZMCSLRLXLBI-UHFFFAOYSA-N 1 1 295.799 3.065 20 30 CGEDMO C#Cc1ccc(C[N@@H+](Cc2ccccn2)C2CC2)cc1 ZINC000290544826 392449356 /nfs/dbraw/zinc/44/93/56/392449356.db2.gz RLZFULXAIPVSKH-UHFFFAOYSA-N 1 1 262.356 3.228 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000120979102 392405084 /nfs/dbraw/zinc/40/50/84/392405084.db2.gz RJABCOYFEJCCJD-AWEZNQCLSA-N 1 1 293.411 3.378 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000121164410 392408929 /nfs/dbraw/zinc/40/89/29/392408929.db2.gz YKCQHHBRAPSCTN-CQSZACIVSA-N 1 1 292.398 3.071 20 30 CGEDMO CCCCCCCC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000155712182 392543602 /nfs/dbraw/zinc/54/36/02/392543602.db2.gz YOOULEBNSCQYBJ-JKSUJKDBSA-N 1 1 280.456 3.290 20 30 CGEDMO CCCCCCCC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000155712077 392543679 /nfs/dbraw/zinc/54/36/79/392543679.db2.gz YOOULEBNSCQYBJ-CVEARBPZSA-N 1 1 280.456 3.290 20 30 CGEDMO CCCCC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000372341545 392601488 /nfs/dbraw/zinc/60/14/88/392601488.db2.gz DXPHWXFWBYPHAP-MRXNPFEDSA-N 1 1 258.365 3.122 20 30 CGEDMO CCCCC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000372341545 392601492 /nfs/dbraw/zinc/60/14/92/392601492.db2.gz DXPHWXFWBYPHAP-MRXNPFEDSA-N 1 1 258.365 3.122 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000374179504 392671096 /nfs/dbraw/zinc/67/10/96/392671096.db2.gz UCKDDDLNXYSNOR-CABNGKKXSA-N 1 1 257.805 3.000 20 30 CGEDMO CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc2[nH]cnc2c1 ZINC000329494444 392684277 /nfs/dbraw/zinc/68/42/77/392684277.db2.gz ILQVTBLNECXYFF-CQSZACIVSA-N 1 1 272.352 3.025 20 30 CGEDMO CC[C@H]1C[N@@H+](CCCCC(C)(C)C#N)CCCO1 ZINC000305989442 392635631 /nfs/dbraw/zinc/63/56/31/392635631.db2.gz UALIRWSVDGEUJW-AWEZNQCLSA-N 1 1 252.402 3.207 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000174816252 392645906 /nfs/dbraw/zinc/64/59/06/392645906.db2.gz GAMYRWVHMSDZRS-MRXNPFEDSA-N 1 1 272.392 3.390 20 30 CGEDMO CN(Cc1ccccc1)CC(C)(C)C[NH2+]CCCCC#N ZINC000177557388 392662705 /nfs/dbraw/zinc/66/27/05/392662705.db2.gz VSPKRSSBDHKRFL-UHFFFAOYSA-N 1 1 287.451 3.428 20 30 CGEDMO C=CCSc1ccccc1NC(=O)C[N@H+](C)CC(=C)C ZINC000181245133 392723996 /nfs/dbraw/zinc/72/39/96/392723996.db2.gz GHODVPZNJAJELA-UHFFFAOYSA-N 1 1 290.432 3.411 20 30 CGEDMO C=CCSc1ccccc1NC(=O)C[N@@H+](C)CC(=C)C ZINC000181245133 392723998 /nfs/dbraw/zinc/72/39/98/392723998.db2.gz GHODVPZNJAJELA-UHFFFAOYSA-N 1 1 290.432 3.411 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)cc1 ZINC000183366841 392755809 /nfs/dbraw/zinc/75/58/09/392755809.db2.gz UVFHQZPYBDEJAB-GOSISDBHSA-N 1 1 296.345 3.351 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCOC[C@H]1CC(C)C ZINC000186231442 392780761 /nfs/dbraw/zinc/78/07/61/392780761.db2.gz QBHVHSCWHRXSHI-QGZVFWFLSA-N 1 1 272.392 3.114 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@H](C)c1ccncc1 ZINC000186314835 392782615 /nfs/dbraw/zinc/78/26/15/392782615.db2.gz DDHVMQZAWFTDLV-CQSZACIVSA-N 1 1 265.360 3.455 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000186309289 392783181 /nfs/dbraw/zinc/78/31/81/392783181.db2.gz KOHSJNJWRUVOQN-KBXCAEBGSA-N 1 1 294.402 3.146 20 30 CGEDMO Cc1cc(F)cc2c1C[N@@H+](CCCSCC#N)CC2 ZINC000337427896 392885218 /nfs/dbraw/zinc/88/52/18/392885218.db2.gz AAVPHXOUFVOBRY-UHFFFAOYSA-N 1 1 278.396 3.139 20 30 CGEDMO C=C(C)CC[N@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000337434612 392885275 /nfs/dbraw/zinc/88/52/75/392885275.db2.gz HCWBWPDXAIZSJH-OAHLLOKOSA-N 1 1 274.408 3.104 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000337439397 392886935 /nfs/dbraw/zinc/88/69/35/392886935.db2.gz LHYXSMBEKQYBMK-HNNXBMFYSA-N 1 1 273.424 3.365 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)Cc1snnc1C ZINC000647960861 392845246 /nfs/dbraw/zinc/84/52/46/392845246.db2.gz OXFMUBTXMXDRJS-UHFFFAOYSA-N 1 1 273.405 3.077 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1snnc1C ZINC000647960861 392845251 /nfs/dbraw/zinc/84/52/51/392845251.db2.gz OXFMUBTXMXDRJS-UHFFFAOYSA-N 1 1 273.405 3.077 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]2C2CCOCC2)ccc1F ZINC000336387083 392852452 /nfs/dbraw/zinc/85/24/52/392852452.db2.gz RKAVRAZCASNZIA-QGZVFWFLSA-N 1 1 288.366 3.088 20 30 CGEDMO Cc1ccc([C@H](C)[N@@H+](C)CCOCCC#N)c(C)c1 ZINC000338923638 392936809 /nfs/dbraw/zinc/93/68/09/392936809.db2.gz DUYVWLZFOGQZHV-HNNXBMFYSA-N 1 1 260.381 3.227 20 30 CGEDMO CC#CC[N@@H+](Cc1cccc(Br)c1)C1CC1 ZINC000525633406 392941065 /nfs/dbraw/zinc/94/10/65/392941065.db2.gz NJKWOKTVRWBPNL-UHFFFAOYSA-N 1 1 278.193 3.437 20 30 CGEDMO N#CCCOCC[N@H+]1CCCC[C@H]1CCc1ccccc1 ZINC000339057918 392943128 /nfs/dbraw/zinc/94/31/28/392943128.db2.gz IJHDRMIJDKMHQZ-SFHVURJKSA-N 1 1 286.419 3.404 20 30 CGEDMO C=CC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339090072 392947559 /nfs/dbraw/zinc/94/75/59/392947559.db2.gz BJSFEZMTIYHYIX-UHFFFAOYSA-N 1 1 274.242 3.231 20 30 CGEDMO C=CC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339090072 392947565 /nfs/dbraw/zinc/94/75/65/392947565.db2.gz BJSFEZMTIYHYIX-UHFFFAOYSA-N 1 1 274.242 3.231 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)CC1CCC(F)(F)CC1 ZINC000411648880 392983626 /nfs/dbraw/zinc/98/36/26/392983626.db2.gz QOUWOQBTXKDABW-UHFFFAOYSA-N 1 1 274.399 3.252 20 30 CGEDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2CCC1(C#N)CCCCC1 ZINC000411718571 392986156 /nfs/dbraw/zinc/98/61/56/392986156.db2.gz LPRDKUGZAFXFFV-DMRKSPOLSA-N 1 1 288.435 3.206 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000216208747 392989490 /nfs/dbraw/zinc/98/94/90/392989490.db2.gz LEGRXUYKEATBMF-CYBMUJFWSA-N 1 1 278.371 3.359 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](N(C)CCC2(C#N)CCCCC2)C1 ZINC000411884840 392991274 /nfs/dbraw/zinc/99/12/74/392991274.db2.gz WVJNWLNBTZQIHF-INIZCTEOSA-N 1 1 277.456 3.265 20 30 CGEDMO CC[N@@H+](CCCSCC#N)Cc1occc1C ZINC000412032508 392994487 /nfs/dbraw/zinc/99/44/87/392994487.db2.gz ZBFJPGIDCNIZNV-UHFFFAOYSA-N 1 1 252.383 3.057 20 30 CGEDMO CCC[N@H+](Cc1cccc(C(=O)OC)c1C#N)CC(C)C ZINC000534463518 392998282 /nfs/dbraw/zinc/99/82/82/392998282.db2.gz RCKRGAVQNHSQDS-UHFFFAOYSA-N 1 1 288.391 3.213 20 30 CGEDMO CC[N@@H+](Cc1cccc(C(=O)OC)c1C#N)[C@@H](C)C(C)C ZINC000534486686 392999179 /nfs/dbraw/zinc/99/91/79/392999179.db2.gz IKFIAIRBDDARIY-ZDUSSCGKSA-N 1 1 288.391 3.211 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000342966720 393014560 /nfs/dbraw/zinc/01/45/60/393014560.db2.gz RJFKBDSALYXITF-HNSVSWJLSA-N 1 1 293.455 3.046 20 30 CGEDMO N#CC1(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)CC1 ZINC000343143811 393019289 /nfs/dbraw/zinc/01/92/89/393019289.db2.gz XHFQABISBJHTBB-OAHLLOKOSA-N 1 1 258.340 3.136 20 30 CGEDMO CC[N@H+](CC1(C#N)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000343145322 393019810 /nfs/dbraw/zinc/01/98/10/393019810.db2.gz VDGRDDLIGIAYBO-ZDUSSCGKSA-N 1 1 253.349 3.245 20 30 CGEDMO CC[N@@H+](CC1(C#N)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000343145322 393019815 /nfs/dbraw/zinc/01/98/15/393019815.db2.gz VDGRDDLIGIAYBO-ZDUSSCGKSA-N 1 1 253.349 3.245 20 30 CGEDMO COc1ccccc1C[C@@H]1CCC[N@H+]1CC1(C#N)CC1 ZINC000343312934 393023940 /nfs/dbraw/zinc/02/39/40/393023940.db2.gz FJXPGUBBJVLFFV-HNNXBMFYSA-N 1 1 270.376 3.006 20 30 CGEDMO Cc1ccc(C[C@@H]2CCC[N@H+]2CC2(C#N)CC2)cc1 ZINC000343314039 393024056 /nfs/dbraw/zinc/02/40/56/393024056.db2.gz MBGOSSNGACLVPO-INIZCTEOSA-N 1 1 254.377 3.306 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1F)C[C@H]1CC[C@H](C)O1 ZINC000354872575 393250623 /nfs/dbraw/zinc/25/06/23/393250623.db2.gz QKXXQVORSYFZJB-DZGCQCFKSA-N 1 1 263.356 3.381 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@H]1CC[C@H](C)O1 ZINC000354872575 393250629 /nfs/dbraw/zinc/25/06/29/393250629.db2.gz QKXXQVORSYFZJB-DZGCQCFKSA-N 1 1 263.356 3.381 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC000648853000 393274016 /nfs/dbraw/zinc/27/40/16/393274016.db2.gz JMVIDGPGLIULKA-UONOGXRCSA-N 1 1 277.412 3.258 20 30 CGEDMO C[C@H](CCN(C)C)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000356169292 393366475 /nfs/dbraw/zinc/36/64/75/393366475.db2.gz RHIRIEGYDGCRIJ-LLVKDONJSA-N 1 1 299.340 3.007 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CC=C(c2ccc(OCC)cc2)CC1 ZINC000649406345 393412790 /nfs/dbraw/zinc/41/27/90/393412790.db2.gz ANWZRQABKACEQF-SFHVURJKSA-N 1 1 287.403 3.111 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CCCOC1 ZINC000356340952 393424148 /nfs/dbraw/zinc/42/41/48/393424148.db2.gz PJEJPSPRHQJJTB-ZDUSSCGKSA-N 1 1 298.308 3.188 20 30 CGEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)c(C)c2)cc1O ZINC000488193915 393469654 /nfs/dbraw/zinc/46/96/54/393469654.db2.gz CWKRXJRIPXDKFP-UHFFFAOYSA-N 1 1 296.370 3.213 20 30 CGEDMO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(C#N)c(C)c2)s1 ZINC000488262947 393476140 /nfs/dbraw/zinc/47/61/40/393476140.db2.gz GPYZDGXXNVDHOB-GFCCVEGCSA-N 1 1 271.389 3.482 20 30 CGEDMO CC(C)(C)[C@@H]1CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000475634474 393410239 /nfs/dbraw/zinc/41/02/39/393410239.db2.gz JNFONODNINWBMG-OAHLLOKOSA-N 1 1 296.418 3.464 20 30 CGEDMO C[C@H]1CC[C@@H]([N@@H+](C)CCCOc2cccc(C#N)c2)C1 ZINC000429578332 393486365 /nfs/dbraw/zinc/48/63/65/393486365.db2.gz IKIFGRUDZFVWBB-GOEBONIOSA-N 1 1 272.392 3.448 20 30 CGEDMO Cc1cc(C[N@H+]2CCS[C@H](C(C)C)C2)ccc1C#N ZINC000488459321 393522512 /nfs/dbraw/zinc/52/25/12/393522512.db2.gz IZWIJIVLAQBSDH-INIZCTEOSA-N 1 1 274.433 3.440 20 30 CGEDMO COc1ccc2c(c1)C[C@H](C)[N@H+](CCCC#N)[C@H]2C ZINC000359539340 393549976 /nfs/dbraw/zinc/54/99/76/393549976.db2.gz ORLNHPBGPHUWMP-STQMWFEESA-N 1 1 258.365 3.307 20 30 CGEDMO CC[N@@H+](CC#Cc1ccc(Cl)cc1)[C@@H]1CCCOC1 ZINC000649757523 393575107 /nfs/dbraw/zinc/57/51/07/393575107.db2.gz QFBFPNUYFHFDBO-MRXNPFEDSA-N 1 1 277.795 3.192 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000489442676 393597228 /nfs/dbraw/zinc/59/72/28/393597228.db2.gz BDEIWVGTQJMEDY-OAHLLOKOSA-N 1 1 294.358 3.149 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000489442676 393597231 /nfs/dbraw/zinc/59/72/31/393597231.db2.gz BDEIWVGTQJMEDY-OAHLLOKOSA-N 1 1 294.358 3.149 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1OC ZINC000489492949 393600855 /nfs/dbraw/zinc/60/08/55/393600855.db2.gz FEXVSBSVSSWHGU-OAHLLOKOSA-N 1 1 256.349 3.107 20 30 CGEDMO C[C@H](Cc1[nH]cc[nH+]1)OCC#Cc1ccc(Cl)cc1 ZINC000360953950 393622460 /nfs/dbraw/zinc/62/24/60/393622460.db2.gz NMRZOAHJUNLJGM-GFCCVEGCSA-N 1 1 274.751 3.062 20 30 CGEDMO C=CC[N@H+](CCCC(=O)OC)CC1CCCCC1 ZINC000360965337 393626102 /nfs/dbraw/zinc/62/61/02/393626102.db2.gz DVYKXWWYXOGRNZ-UHFFFAOYSA-N 1 1 253.386 3.008 20 30 CGEDMO C[C@H](Nc1[nH+]c2cccc(F)c2n1C)c1ccc(C#N)cc1 ZINC000443520371 393761431 /nfs/dbraw/zinc/76/14/31/393761431.db2.gz RDOBEQCXKBIGBY-NSHDSACASA-N 1 1 294.333 3.179 20 30 CGEDMO Cc1cc(N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c(C#N)cn1 ZINC000425207561 393690124 /nfs/dbraw/zinc/69/01/24/393690124.db2.gz MZFVBTDQPDSKQW-HLLBOEOZSA-N 1 1 298.434 3.103 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)[C@@H](C)CCCC=C)n1 ZINC000491507839 393694003 /nfs/dbraw/zinc/69/40/03/393694003.db2.gz XMBJPVTVBBGEHF-HNNXBMFYSA-N 1 1 259.397 3.083 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC1(C#N)CCC1 ZINC000425540460 393697899 /nfs/dbraw/zinc/69/78/99/393697899.db2.gz VIRUSGGJDGIVFG-CYBMUJFWSA-N 1 1 253.349 3.245 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC1(C#N)CCC1 ZINC000425540460 393697900 /nfs/dbraw/zinc/69/79/00/393697900.db2.gz VIRUSGGJDGIVFG-CYBMUJFWSA-N 1 1 253.349 3.245 20 30 CGEDMO C[C@@H]1C[C@H](C)CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000443643011 393768718 /nfs/dbraw/zinc/76/87/18/393768718.db2.gz QGJMBSORDOAXMU-HUUCEWRRSA-N 1 1 299.418 3.255 20 30 CGEDMO COc1cc(C[N@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)ccc1C#N ZINC000449534971 393887580 /nfs/dbraw/zinc/88/75/80/393887580.db2.gz HBHJVCPEZFKURJ-FUHWJXTLSA-N 1 1 282.387 3.187 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)s1 ZINC000449537748 393888706 /nfs/dbraw/zinc/88/87/06/393888706.db2.gz JWERVWPLLPUZKP-LSDHHAIUSA-N 1 1 258.390 3.240 20 30 CGEDMO Cc1cc(C[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)ccc1C#N ZINC000449539581 393889436 /nfs/dbraw/zinc/88/94/36/393889436.db2.gz LWBDJDQGLPSOBD-QZTJIDSGSA-N 1 1 266.388 3.487 20 30 CGEDMO CO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)s2)C12CCC2 ZINC000449629718 393927175 /nfs/dbraw/zinc/92/71/75/393927175.db2.gz GCEKEBLFTTWOTB-UONOGXRCSA-N 1 1 276.405 3.009 20 30 CGEDMO C=CCC[C@H]([NH2+]C1CCC2(CC2)CC1)C(=O)OCC ZINC000449654935 393934561 /nfs/dbraw/zinc/93/45/61/393934561.db2.gz FYJWQAUALVOZHK-AWEZNQCLSA-N 1 1 265.397 3.197 20 30 CGEDMO C=CC[N@@H+](Cc1ccnn1CCC)Cc1ccccc1 ZINC000667518399 542882691 /nfs/dbraw/zinc/88/26/91/542882691.db2.gz ZKHPUVMWNHWTFD-UHFFFAOYSA-N 1 1 269.392 3.481 20 30 CGEDMO C=CC[N@H+](Cc1ccnn1CCC)Cc1ccccc1 ZINC000667518399 542882697 /nfs/dbraw/zinc/88/26/97/542882697.db2.gz ZKHPUVMWNHWTFD-UHFFFAOYSA-N 1 1 269.392 3.481 20 30 CGEDMO C=CC[N@H+](Cc1cnn2c1CCC2)Cc1ccc(OC)cc1 ZINC000667534890 542885609 /nfs/dbraw/zinc/88/56/09/542885609.db2.gz OKLDFTBZKGTNRX-UHFFFAOYSA-N 1 1 297.402 3.026 20 30 CGEDMO C=CC[N@@H+](Cc1cnn2c1CCC2)Cc1ccc(OC)cc1 ZINC000667534890 542885612 /nfs/dbraw/zinc/88/56/12/542885612.db2.gz OKLDFTBZKGTNRX-UHFFFAOYSA-N 1 1 297.402 3.026 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000575119874 335068830 /nfs/dbraw/zinc/06/88/30/335068830.db2.gz ZVUGTVBWHQLFHS-OAHLLOKOSA-N 1 1 257.381 3.201 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc(-n3cncn3)c(C)c2)C1 ZINC000668494395 543020954 /nfs/dbraw/zinc/02/09/54/543020954.db2.gz YXSDAFPQVCTPTM-MRXNPFEDSA-N 1 1 296.418 3.364 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cccc(OC)c2OC)C1 ZINC000668492584 543020602 /nfs/dbraw/zinc/02/06/02/543020602.db2.gz DCISPELXAMLPCZ-CQSZACIVSA-N 1 1 275.392 3.492 20 30 CGEDMO C=C(C)C[N@@H+]1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000673757253 543254400 /nfs/dbraw/zinc/25/44/00/543254400.db2.gz JAQYBOVAKLHOJB-INIZCTEOSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C(C)CN1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000673757253 543254401 /nfs/dbraw/zinc/25/44/01/543254401.db2.gz JAQYBOVAKLHOJB-INIZCTEOSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C(C)CN1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000673757253 543254405 /nfs/dbraw/zinc/25/44/05/543254405.db2.gz JAQYBOVAKLHOJB-INIZCTEOSA-N 1 1 258.409 3.159 20 30 CGEDMO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@H]1CCOC1 ZINC000047698639 397634217 /nfs/dbraw/zinc/63/42/17/397634217.db2.gz KRNSSOUGSKFPGB-LLVKDONJSA-N 1 1 271.813 3.426 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1cc(OC)cc(OC)c1 ZINC000735490394 572726305 /nfs/dbraw/zinc/72/63/05/572726305.db2.gz JKDFYGLOGFIQNG-UHFFFAOYSA-N 1 1 263.381 3.492 20 30 CGEDMO CCC#C[C@@H](C)[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000677476174 543450808 /nfs/dbraw/zinc/45/08/08/543450808.db2.gz KPKCXUMNKRAQEP-OAHLLOKOSA-N 1 1 267.376 3.106 20 30 CGEDMO CCC#C[C@@H](C)[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000677476174 543450810 /nfs/dbraw/zinc/45/08/10/543450810.db2.gz KPKCXUMNKRAQEP-OAHLLOKOSA-N 1 1 267.376 3.106 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCC[C@@H](n3ccnc3)C2)c1 ZINC000678235334 543498973 /nfs/dbraw/zinc/49/89/73/543498973.db2.gz QZFQELUOJBJARH-QGZVFWFLSA-N 1 1 297.402 3.285 20 30 CGEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2)C12CCC2 ZINC000120918890 286247330 /nfs/dbraw/zinc/24/73/30/286247330.db2.gz YMKUQGRPGBHLOE-IAGOWNOFSA-N 1 1 284.403 3.338 20 30 CGEDMO CC[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000079341404 165141613 /nfs/dbraw/zinc/14/16/13/165141613.db2.gz HBCSFJSHHDPSKY-PBHICJAKSA-N 1 1 272.392 3.104 20 30 CGEDMO C[C@@H](c1ccccn1)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000091702300 165269114 /nfs/dbraw/zinc/26/91/14/165269114.db2.gz XOXSTSRAOGPEQS-LBPRGKRZSA-N 1 1 269.323 3.285 20 30 CGEDMO C[C@@H](c1ccccn1)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000091702300 165269115 /nfs/dbraw/zinc/26/91/15/165269115.db2.gz XOXSTSRAOGPEQS-LBPRGKRZSA-N 1 1 269.323 3.285 20 30 CGEDMO C[N@@H+](CCCOc1cccc(C#N)c1)Cc1ccco1 ZINC000035701940 172369197 /nfs/dbraw/zinc/36/91/97/172369197.db2.gz FDQUFIXIVVYOHU-UHFFFAOYSA-N 1 1 270.332 3.052 20 30 CGEDMO C[NH+](C)CC(=O)Nc1nnc(-c2ccccc2Cl)s1 ZINC000039757068 174172016 /nfs/dbraw/zinc/17/20/16/174172016.db2.gz ZWHRVJCEOFOHDS-UHFFFAOYSA-N 1 1 296.783 3.008 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc2c[nH]nc21 ZINC000131175594 287372311 /nfs/dbraw/zinc/37/23/11/287372311.db2.gz WNKCBYBHMXNGAO-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)s1)Cc1ccc(C#N)cc1 ZINC000131194997 287373054 /nfs/dbraw/zinc/37/30/54/287373054.db2.gz JQBSZSRWOWYRKG-UHFFFAOYSA-N 1 1 267.357 3.123 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)s1)Cc1ccc(C#N)cc1 ZINC000131194997 287373055 /nfs/dbraw/zinc/37/30/55/287373055.db2.gz JQBSZSRWOWYRKG-UHFFFAOYSA-N 1 1 267.357 3.123 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc2ccccc2nc1OC ZINC000682436332 543846304 /nfs/dbraw/zinc/84/63/04/543846304.db2.gz HTTZFXZCFKSINJ-UHFFFAOYSA-N 1 1 256.349 3.251 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000685605826 544087872 /nfs/dbraw/zinc/08/78/72/544087872.db2.gz LPJFEHBDIWZZTB-AWEZNQCLSA-N 1 1 269.388 3.344 20 30 CGEDMO N#CC1(C[NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)CC1 ZINC000352813283 227250376 /nfs/dbraw/zinc/25/03/76/227250376.db2.gz ATWJFMCBNGFTDI-ZDUSSCGKSA-N 1 1 299.201 3.310 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(C)nc(C)n1 ZINC000659850532 419013193 /nfs/dbraw/zinc/01/31/93/419013193.db2.gz SCXNNGZJBFHMMV-UHFFFAOYSA-N 1 1 297.402 3.290 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(C)nc(C)n1 ZINC000659850532 419013196 /nfs/dbraw/zinc/01/31/96/419013196.db2.gz SCXNNGZJBFHMMV-UHFFFAOYSA-N 1 1 297.402 3.290 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CCC[C@@H](CC(C)C)C2)nn1 ZINC000653568875 419052366 /nfs/dbraw/zinc/05/23/66/419052366.db2.gz PWRYVFXQMLHEBW-HNNXBMFYSA-N 1 1 276.428 3.112 20 30 CGEDMO C=CCCn1cc(C[N@H+](C)[C@@H](C)Cc2ccccc2C)nn1 ZINC000653647667 419065167 /nfs/dbraw/zinc/06/51/67/419065167.db2.gz PPEFZKSQMUDRLX-INIZCTEOSA-N 1 1 298.434 3.226 20 30 CGEDMO C=CC[N@H+](CCCc1cccc(OC)c1)[C@@H](C)COC ZINC000661244886 419243989 /nfs/dbraw/zinc/24/39/89/419243989.db2.gz ZLRMXSYVXWGSRW-HNNXBMFYSA-N 1 1 277.408 3.151 20 30 CGEDMO C=CC[N@H+](Cc1cn2cc(Cl)ccc2n1)[C@@H](C)COC ZINC000661246159 419244602 /nfs/dbraw/zinc/24/46/02/419244602.db2.gz FNZJUKQMRZFFCZ-LBPRGKRZSA-N 1 1 293.798 3.011 20 30 CGEDMO C=CC[N@@H+](Cc1cn2cc(Cl)ccc2n1)[C@@H](C)COC ZINC000661246159 419244604 /nfs/dbraw/zinc/24/46/04/419244604.db2.gz FNZJUKQMRZFFCZ-LBPRGKRZSA-N 1 1 293.798 3.011 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](CC[C@H]2CCCCN2C)C1 ZINC000661378492 419255493 /nfs/dbraw/zinc/25/54/93/419255493.db2.gz HOIVLLDTUHMYOD-HZPDHXFCSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CC[C@H]2CCCCN2C)C1 ZINC000661378492 419255495 /nfs/dbraw/zinc/25/54/95/419255495.db2.gz HOIVLLDTUHMYOD-HZPDHXFCSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1noc(CCC)n1 ZINC000661115117 419231941 /nfs/dbraw/zinc/23/19/41/419231941.db2.gz AFYCOWDYMUMVTF-QWHCGFSZSA-N 1 1 263.385 3.247 20 30 CGEDMO C=CCN1CC[C@@H]([N@H+](Cc2ccsc2)C(C)(C)C)C1=O ZINC000661135803 419234531 /nfs/dbraw/zinc/23/45/31/419234531.db2.gz KGSWMUJVVNLCKN-CQSZACIVSA-N 1 1 292.448 3.136 20 30 CGEDMO C=CC[N@H+](CC(=O)N(C)[C@H](C)c1ccccc1)C(C)(C)C ZINC000661755698 419294956 /nfs/dbraw/zinc/29/49/56/419294956.db2.gz OUBHOCFXUXIFFI-OAHLLOKOSA-N 1 1 288.435 3.493 20 30 CGEDMO C=CC[N@H+](CC(=O)N(C)C1CCCCC1)C(C)(C)C ZINC000661755441 419295422 /nfs/dbraw/zinc/29/54/22/419295422.db2.gz MNLWPVGRJGTWGN-UHFFFAOYSA-N 1 1 266.429 3.064 20 30 CGEDMO C=CC[N@H+](CCOCC(F)(F)C(F)F)C(C)(C)C ZINC000661760706 419296158 /nfs/dbraw/zinc/29/61/58/419296158.db2.gz XIZMMJLHAHSHTE-UHFFFAOYSA-N 1 1 271.298 3.190 20 30 CGEDMO COC1CC[NH+](Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000356056600 228103248 /nfs/dbraw/zinc/10/32/48/228103248.db2.gz MPLOPSZITXWNPJ-UHFFFAOYSA-N 1 1 298.308 3.188 20 30 CGEDMO C[C@@H](C#N)C[N@H+](C)CCc1ccc(F)cc1Cl ZINC000356081719 228113318 /nfs/dbraw/zinc/11/33/18/228113318.db2.gz GJOMMNWYHKISGE-JTQLQIEISA-N 1 1 254.736 3.113 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C)CCc1ccc(F)cc1Cl ZINC000356081719 228113320 /nfs/dbraw/zinc/11/33/20/228113320.db2.gz GJOMMNWYHKISGE-JTQLQIEISA-N 1 1 254.736 3.113 20 30 CGEDMO C=C(C)CCN1CC[N@H+](CCC(=C)C)[C@@H](C)[C@@H]1C ZINC000662226208 419366948 /nfs/dbraw/zinc/36/69/48/419366948.db2.gz YFGWHPCIEQQJHT-HOTGVXAUSA-N 1 1 250.430 3.313 20 30 CGEDMO C=CC[N@H+](Cc1ccc(Cl)s1)[C@@H](CO)C(=C)C ZINC000662284056 419383720 /nfs/dbraw/zinc/38/37/20/419383720.db2.gz GOEQEQGSXVOPKE-LBPRGKRZSA-N 1 1 271.813 3.327 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](CO)C(=C)C ZINC000662284056 419383728 /nfs/dbraw/zinc/38/37/28/419383728.db2.gz GOEQEQGSXVOPKE-LBPRGKRZSA-N 1 1 271.813 3.327 20 30 CGEDMO C[C@H](CC#N)[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000068610265 260256891 /nfs/dbraw/zinc/25/68/91/260256891.db2.gz QFEATAZCECRCKV-NXEZZACHSA-N 1 1 254.280 3.241 20 30 CGEDMO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2C)cc1C ZINC000072875452 260279235 /nfs/dbraw/zinc/27/92/35/260279235.db2.gz GAOPKAWFCBXWSZ-INIZCTEOSA-N 1 1 299.418 3.034 20 30 CGEDMO N#CCCCOc1cccc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000127967838 260370999 /nfs/dbraw/zinc/37/09/99/260370999.db2.gz AVAUPOIYTDFXOT-IAGOWNOFSA-N 1 1 299.418 3.408 20 30 CGEDMO COC[C@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135226700 260918874 /nfs/dbraw/zinc/91/88/74/260918874.db2.gz LFFVOYOYTDABSP-HNNXBMFYSA-N 1 1 286.419 3.346 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000448316502 261109412 /nfs/dbraw/zinc/10/94/12/261109412.db2.gz VXAIBSWGAGECFM-GOSISDBHSA-N 1 1 298.430 3.242 20 30 CGEDMO CC(C)(C)OC(=O)N1CC[N@@H+](CCCCC#N)CC1(C)C ZINC000497235030 262118875 /nfs/dbraw/zinc/11/88/75/262118875.db2.gz CGYNOGGDCMGRAN-UHFFFAOYSA-N 1 1 295.427 3.012 20 30 CGEDMO CC(C)(C)[C@@H]1CCC[N@@H+](CCOCCC#N)CC1 ZINC000338997871 262148671 /nfs/dbraw/zinc/14/86/71/262148671.db2.gz XDVDFBCMMOFSLY-CQSZACIVSA-N 1 1 252.402 3.065 20 30 CGEDMO C=CC[N@@H+](CC[C@@H]1CCCO1)Cc1cccs1 ZINC000188592327 262321892 /nfs/dbraw/zinc/32/18/92/262321892.db2.gz GQYRSSUFLIQSEH-ZDUSSCGKSA-N 1 1 251.395 3.305 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000496197803 262339913 /nfs/dbraw/zinc/33/99/13/262339913.db2.gz QIVIVHDALXWIRQ-ZIAGYGMSSA-N 1 1 282.428 3.330 20 30 CGEDMO C=CCCC[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000117883162 262359742 /nfs/dbraw/zinc/35/97/42/262359742.db2.gz LRZSMHGRMFWRAC-KRWDZBQOSA-N 1 1 259.393 3.325 20 30 CGEDMO N#CCCCC[N@H+]1CCc2ccc(F)c(F)c2C1 ZINC000336736650 262386635 /nfs/dbraw/zinc/38/66/35/262386635.db2.gz YVQGNHDOPHXCPY-UHFFFAOYSA-N 1 1 250.292 3.017 20 30 CGEDMO N#CCCCC[N@@H+]1CCc2ccc(F)c(F)c2C1 ZINC000336736650 262386637 /nfs/dbraw/zinc/38/66/37/262386637.db2.gz YVQGNHDOPHXCPY-UHFFFAOYSA-N 1 1 250.292 3.017 20 30 CGEDMO CCOCC[N@@H+](CC)CCC1(C#N)CCCCC1 ZINC000411282514 262686642 /nfs/dbraw/zinc/68/66/42/262686642.db2.gz VAPJDDFMTOTZPN-UHFFFAOYSA-N 1 1 252.402 3.209 20 30 CGEDMO CC(C)(C#N)CC[NH+]1CCN(c2cccc(F)c2F)CC1 ZINC000272041312 263001311 /nfs/dbraw/zinc/00/13/11/263001311.db2.gz RDMJJQNHZARSDQ-UHFFFAOYSA-N 1 1 293.361 3.027 20 30 CGEDMO CC1(C#N)CC[NH+](C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000274787916 263030410 /nfs/dbraw/zinc/03/04/10/263030410.db2.gz BKXHEBCIQIZLFO-CQSZACIVSA-N 1 1 296.773 3.138 20 30 CGEDMO C[C@@H]1CCN([C@@H]2CC[C@@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000278771817 263051031 /nfs/dbraw/zinc/05/10/31/263051031.db2.gz YUAPAHHLTCBRFR-BHIYHBOVSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CCN1Cc1ccccc1 ZINC000278771817 263051032 /nfs/dbraw/zinc/05/10/32/263051032.db2.gz YUAPAHHLTCBRFR-BHIYHBOVSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C#N)C2)CCN1Cc1ccccc1 ZINC000278771817 263051033 /nfs/dbraw/zinc/05/10/33/263051033.db2.gz YUAPAHHLTCBRFR-BHIYHBOVSA-N 1 1 297.446 3.275 20 30 CGEDMO N#CC1(CCC[N@H+]2CCc3ccccc3C2)CCOCC1 ZINC000281930208 263073022 /nfs/dbraw/zinc/07/30/22/263073022.db2.gz HZCNSNGRVNKBAF-UHFFFAOYSA-N 1 1 284.403 3.145 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@@H](C)C1 ZINC000282528837 263077288 /nfs/dbraw/zinc/07/72/88/263077288.db2.gz YWJSAORAKDGCHQ-HOCLYGCPSA-N 1 1 286.419 3.487 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CCC1(F)F ZINC000289792960 263112079 /nfs/dbraw/zinc/11/20/79/263112079.db2.gz MKBRGHRNXSANLL-GFCCVEGCSA-N 1 1 280.318 3.066 20 30 CGEDMO CCCC[N@@H+](C)C[C@H](C)/N=C/c1cccc(OCC)c1O ZINC000290023699 263114018 /nfs/dbraw/zinc/11/40/18/263114018.db2.gz XIMGERDKDYRNFC-QCUKBLKESA-N 1 1 292.423 3.330 20 30 CGEDMO CC(C)[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@H]1CCOC1 ZINC000291662717 263124600 /nfs/dbraw/zinc/12/46/00/263124600.db2.gz FXMJJRKKTWLWDR-INIZCTEOSA-N 1 1 286.419 3.487 20 30 CGEDMO C=CC[N@@H+](CCC#N)CCCOCCc1ccccc1 ZINC000292096229 263128226 /nfs/dbraw/zinc/12/82/26/263128226.db2.gz FZVJYOBRDZLGQE-UHFFFAOYSA-N 1 1 272.392 3.037 20 30 CGEDMO C=CC[N@H+](CCC#N)CCCOCCc1ccccc1 ZINC000292096229 263128227 /nfs/dbraw/zinc/12/82/27/263128227.db2.gz FZVJYOBRDZLGQE-UHFFFAOYSA-N 1 1 272.392 3.037 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@H](c3ccc(F)cc3)C2)C1 ZINC000292848564 263135739 /nfs/dbraw/zinc/13/57/39/263135739.db2.gz QFGYLBXZLWTVNT-INWMFGNUSA-N 1 1 258.340 3.307 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)Cc1cccc(C)c1 ZINC000340408020 263136732 /nfs/dbraw/zinc/13/67/32/263136732.db2.gz IIOJPCGPMURNQY-MRXNPFEDSA-N 1 1 288.435 3.240 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000340409398 263136888 /nfs/dbraw/zinc/13/68/88/263136888.db2.gz WPNXMOGTLHWFLK-GOSISDBHSA-N 1 1 298.430 3.333 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](c3ccccc3F)C2)C1 ZINC000293133405 263138073 /nfs/dbraw/zinc/13/80/73/263138073.db2.gz PVLJQYAEVBAYMY-MGPQQGTHSA-N 1 1 258.340 3.307 20 30 CGEDMO C[N@@H+](CCOCCC#N)CCc1cccc2ccccc21 ZINC000293121315 263138139 /nfs/dbraw/zinc/13/81/39/263138139.db2.gz PFMLJTPJWGHCCT-UHFFFAOYSA-N 1 1 282.387 3.244 20 30 CGEDMO C[N@@H+](Cc1ccccc1N1CCCC1)[C@@H]1CC[C@@H](C#N)C1 ZINC000293355144 263139491 /nfs/dbraw/zinc/13/94/91/263139491.db2.gz DVQKUPMPJHUIGW-NVXWUHKLSA-N 1 1 283.419 3.411 20 30 CGEDMO CCc1ccc([C@H]2CC[N@@H+](C[C@H](C#N)CCC#N)C2)cc1 ZINC000293398693 263139617 /nfs/dbraw/zinc/13/96/17/263139617.db2.gz RAQRJJBEZWSAMO-WMZOPIPTSA-N 1 1 281.403 3.482 20 30 CGEDMO C[N@@H+](CCOCCC#N)Cc1csc2ccccc12 ZINC000293610145 263144479 /nfs/dbraw/zinc/14/44/79/263144479.db2.gz VMVDYOYDDRSTFG-UHFFFAOYSA-N 1 1 274.389 3.263 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@@H](C#N)C1 ZINC000297716330 263208662 /nfs/dbraw/zinc/20/86/62/263208662.db2.gz BFKPFKJHEUONOT-WBVHZDCISA-N 1 1 265.360 3.239 20 30 CGEDMO CN(C)c1ccc(C[N@@H+](CCCC#N)C2CC2)cc1 ZINC000298710634 263224730 /nfs/dbraw/zinc/22/47/30/263224730.db2.gz KECCSKMHRBKLDZ-UHFFFAOYSA-N 1 1 257.381 3.021 20 30 CGEDMO C=CCCC[N@@H+](C)Cc1ncc(Br)s1 ZINC000341194937 263328867 /nfs/dbraw/zinc/32/88/67/263328867.db2.gz USTDSHHWFTXCCC-UHFFFAOYSA-N 1 1 275.215 3.304 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ncc(Br)s1 ZINC000341194937 263328869 /nfs/dbraw/zinc/32/88/69/263328869.db2.gz USTDSHHWFTXCCC-UHFFFAOYSA-N 1 1 275.215 3.304 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000330862456 264056334 /nfs/dbraw/zinc/05/63/34/264056334.db2.gz VUOTYKCYYBXASB-CZUORRHYSA-N 1 1 267.376 3.270 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1cc(F)ccc1C ZINC000076735952 264342984 /nfs/dbraw/zinc/34/29/84/264342984.db2.gz SHRZJVGQNOJCTO-ZDUSSCGKSA-N 1 1 278.371 3.359 20 30 CGEDMO C=CCOCC[N@@H+]1CCCC[C@H]1CCC(=O)OC(C)(C)C ZINC000425480870 264349037 /nfs/dbraw/zinc/34/90/37/264349037.db2.gz RFXOZTXIBMDIQP-HNNXBMFYSA-N 1 1 297.439 3.165 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000132651517 264397409 /nfs/dbraw/zinc/39/74/09/264397409.db2.gz KVUXHWLUHCTXKR-UHFFFAOYSA-N 1 1 251.395 3.425 20 30 CGEDMO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)Cc2cc(C)[nH]n2)cc1 ZINC000090533294 264397628 /nfs/dbraw/zinc/39/76/28/264397628.db2.gz YVYZXXYYNXDBLI-ZFWWWQNUSA-N 1 1 297.402 3.012 20 30 CGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)[C@H](C)CCC ZINC000514541505 265178039 /nfs/dbraw/zinc/17/80/39/265178039.db2.gz CWFRRUORLBVEMA-NVXWUHKLSA-N 1 1 291.435 3.275 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1c(C)nn(CC(C)C)c1OCC ZINC000353165024 266035583 /nfs/dbraw/zinc/03/55/83/266035583.db2.gz RZBRHMIPEXXLBC-UHFFFAOYSA-N 1 1 279.428 3.254 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1c(C)nn(CC(C)C)c1OCC ZINC000353165024 266035586 /nfs/dbraw/zinc/03/55/86/266035586.db2.gz RZBRHMIPEXXLBC-UHFFFAOYSA-N 1 1 279.428 3.254 20 30 CGEDMO CC1(C#N)CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000356932049 266212900 /nfs/dbraw/zinc/21/29/00/266212900.db2.gz IYGSVRGKPNGGNZ-XQRVVYSFSA-N 1 1 285.347 3.234 20 30 CGEDMO CCCC[N@@H+](C)C[C@H](C)Nc1ccc(F)cc1C#N ZINC000519728462 267005973 /nfs/dbraw/zinc/00/59/73/267005973.db2.gz QUVULEKOYSAVEL-LBPRGKRZSA-N 1 1 263.360 3.230 20 30 CGEDMO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc2ncsc2c1 ZINC000362572912 267008922 /nfs/dbraw/zinc/00/89/22/267008922.db2.gz NGCXLXUFCZRLBE-NWDGAFQWSA-N 1 1 284.388 3.390 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000367701033 267110684 /nfs/dbraw/zinc/11/06/84/267110684.db2.gz JUQVYUBTHZLMDN-ZDUSSCGKSA-N 1 1 292.345 3.096 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](N2CCCC2)[C@@H]1C ZINC000367892586 267124888 /nfs/dbraw/zinc/12/48/88/267124888.db2.gz QUPYENGLCRXVHZ-HOTGVXAUSA-N 1 1 250.430 3.291 20 30 CGEDMO C=CCCCCCN1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000367892586 267124890 /nfs/dbraw/zinc/12/48/90/267124890.db2.gz QUPYENGLCRXVHZ-HOTGVXAUSA-N 1 1 250.430 3.291 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000369319115 267235495 /nfs/dbraw/zinc/23/54/95/267235495.db2.gz KKFRDEOAJVFLFV-XHSDSOJGSA-N 1 1 267.413 3.001 20 30 CGEDMO C=C(Br)C[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000369416564 267242051 /nfs/dbraw/zinc/24/20/51/267242051.db2.gz HJPTXMZCPONNHZ-QWHCGFSZSA-N 1 1 288.229 3.034 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](N2CCCC2)C1 ZINC000370093712 267289946 /nfs/dbraw/zinc/28/99/46/267289946.db2.gz UKOPGCXKPOCASS-INIZCTEOSA-N 1 1 250.430 3.293 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@H](N2CCCC2)C1 ZINC000370093712 267289948 /nfs/dbraw/zinc/28/99/48/267289948.db2.gz UKOPGCXKPOCASS-INIZCTEOSA-N 1 1 250.430 3.293 20 30 CGEDMO C[C@]1(c2ccccc2)CC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000370395312 267316513 /nfs/dbraw/zinc/31/65/13/267316513.db2.gz ONVVJAYCBQSNOV-WBVHZDCISA-N 1 1 267.376 3.094 20 30 CGEDMO C[C@]1(c2ccccc2)CC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000370395312 267316515 /nfs/dbraw/zinc/31/65/15/267316515.db2.gz ONVVJAYCBQSNOV-WBVHZDCISA-N 1 1 267.376 3.094 20 30 CGEDMO CC(C)Oc1ccccc1C[NH2+]CC1(C#N)CCC1 ZINC000418140641 267361841 /nfs/dbraw/zinc/36/18/41/267361841.db2.gz JVWQVTWDSRNKOX-UHFFFAOYSA-N 1 1 258.365 3.257 20 30 CGEDMO Cc1cccc(-c2n[nH]cc2C[NH2+]CC2(C#N)CCC2)c1 ZINC000418143111 267364645 /nfs/dbraw/zinc/36/46/45/267364645.db2.gz OVQUBURNDGQNPB-UHFFFAOYSA-N 1 1 280.375 3.169 20 30 CGEDMO N#CCCCC[N@@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000120163180 267389041 /nfs/dbraw/zinc/38/90/41/267389041.db2.gz KIGACLJMUPNIEP-HNNXBMFYSA-N 1 1 278.783 3.487 20 30 CGEDMO C=CC[C@H](C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000376936615 268031608 /nfs/dbraw/zinc/03/16/08/268031608.db2.gz DRUNULDYIXHUEE-BZSNNMDCSA-N 1 1 298.430 3.089 20 30 CGEDMO C[N@H+]1CC[C@H]2[C@H](CCCN2c2ccc(C#N)c(Cl)c2)C1 ZINC000277034783 277183004 /nfs/dbraw/zinc/18/30/04/277183004.db2.gz OMBJMOHJSCNAGC-CJNGLKHVSA-N 1 1 289.810 3.132 20 30 CGEDMO CC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(C#N)cc1 ZINC000373028281 288070427 /nfs/dbraw/zinc/07/04/27/288070427.db2.gz XXQYCZOJPZUFHD-SQNIBIBYSA-N 1 1 283.419 3.226 20 30 CGEDMO CC[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(C#N)cc1 ZINC000373028281 288070430 /nfs/dbraw/zinc/07/04/30/288070430.db2.gz XXQYCZOJPZUFHD-SQNIBIBYSA-N 1 1 283.419 3.226 20 30 CGEDMO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(C#N)o1 ZINC000179909827 280028232 /nfs/dbraw/zinc/02/82/32/280028232.db2.gz UJDMIFIDNAIIRZ-LBPRGKRZSA-N 1 1 252.317 3.098 20 30 CGEDMO C[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(C#N)o1 ZINC000179909827 280028234 /nfs/dbraw/zinc/02/82/34/280028234.db2.gz UJDMIFIDNAIIRZ-LBPRGKRZSA-N 1 1 252.317 3.098 20 30 CGEDMO CC[C@]1(CO)CCC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000187554200 281346400 /nfs/dbraw/zinc/34/64/00/281346400.db2.gz QGQYPCJSZJQJJF-YOEHRIQHSA-N 1 1 272.392 3.104 20 30 CGEDMO C[C@H]1CCCC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000335305150 290376181 /nfs/dbraw/zinc/37/61/81/290376181.db2.gz WMTVFUMSXPCHBE-WFASDCNBSA-N 1 1 271.364 3.257 20 30 CGEDMO Cc1cnn([C@@H]2CC[N@@H+](CCC3(C#N)CCCCC3)C2)c1 ZINC000411746605 328098572 /nfs/dbraw/zinc/09/85/72/328098572.db2.gz OVZMGFZGEJFVQA-MRXNPFEDSA-N 1 1 286.423 3.303 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@](C)(C(=O)OC)C1 ZINC000412082726 328102984 /nfs/dbraw/zinc/10/29/84/328102984.db2.gz XTNAZLUNGBSZBY-DZGCQCFKSA-N 1 1 253.386 3.006 20 30 CGEDMO C=C(C)C[N@@H+](C)CCC(=O)Nc1ccccc1Cl ZINC000181308175 329230746 /nfs/dbraw/zinc/23/07/46/329230746.db2.gz UVFXHFPQYZZJFB-UHFFFAOYSA-N 1 1 266.772 3.177 20 30 CGEDMO C[C@@H](c1cccs1)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000563668918 322005936 /nfs/dbraw/zinc/00/59/36/322005936.db2.gz BRGNIYZVMPUCEQ-NSHDSACASA-N 1 1 257.362 3.208 20 30 CGEDMO C[C@@H](c1cccs1)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000563668918 322005938 /nfs/dbraw/zinc/00/59/38/322005938.db2.gz BRGNIYZVMPUCEQ-NSHDSACASA-N 1 1 257.362 3.208 20 30 CGEDMO CCn1ccnc1C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000572694346 322350174 /nfs/dbraw/zinc/35/01/74/322350174.db2.gz BCZUARCSQXUZBT-KRWDZBQOSA-N 1 1 294.402 3.332 20 30 CGEDMO N#CC1(C[NH2+]Cc2cc(Br)cs2)CCC1 ZINC000258894985 326879611 /nfs/dbraw/zinc/87/96/11/326879611.db2.gz KKSFYCMJOARXIX-UHFFFAOYSA-N 1 1 285.210 3.294 20 30 CGEDMO C=C(C)C[N@H+](CCN1CCCCCC1)C1CCC1 ZINC000558172661 327077215 /nfs/dbraw/zinc/07/72/15/327077215.db2.gz KKHKZKBFMGWZJB-UHFFFAOYSA-N 1 1 250.430 3.293 20 30 CGEDMO C=C(C)C[N@@H+](CCN1CCCCCC1)C1CCC1 ZINC000558172661 327077216 /nfs/dbraw/zinc/07/72/16/327077216.db2.gz KKHKZKBFMGWZJB-UHFFFAOYSA-N 1 1 250.430 3.293 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCCc2sccc21 ZINC000558679171 327113665 /nfs/dbraw/zinc/11/36/65/327113665.db2.gz LVRUBPHLEQDYHZ-WCQYABFASA-N 1 1 259.378 3.159 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc2ccccc2n(C)c1=O ZINC000569468715 327182195 /nfs/dbraw/zinc/18/21/95/327182195.db2.gz HSOSBDYVLCFCDF-MRXNPFEDSA-N 1 1 282.387 3.079 20 30 CGEDMO C=CCNC(=O)C[N@H+](CC(C)C)[C@H](C)c1ccccc1C ZINC000560184830 327288680 /nfs/dbraw/zinc/28/86/80/327288680.db2.gz SZTAUBOECQYVEV-MRXNPFEDSA-N 1 1 288.435 3.316 20 30 CGEDMO C=C[C@H](C)NC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000362705647 328929406 /nfs/dbraw/zinc/92/94/06/328929406.db2.gz XLSGFCDYFMVBMY-QWHCGFSZSA-N 1 1 298.390 3.115 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000378637223 329057459 /nfs/dbraw/zinc/05/74/59/329057459.db2.gz ZEOYTIQRYZKCKC-INIZCTEOSA-N 1 1 271.408 3.276 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCc2ccccc2[C@H]1C ZINC000170955933 329072803 /nfs/dbraw/zinc/07/28/03/329072803.db2.gz UPOODCGOKCNHJG-OAHLLOKOSA-N 1 1 286.419 3.030 20 30 CGEDMO CCOCC[N@@H+](CC)CC#Cc1ccc(Cl)cc1 ZINC000177151658 329180664 /nfs/dbraw/zinc/18/06/64/329180664.db2.gz LTWNKTQNPFAERC-UHFFFAOYSA-N 1 1 265.784 3.050 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1ncc(-c2ccc(OC)cc2)o1 ZINC000181291940 329229784 /nfs/dbraw/zinc/22/97/84/329229784.db2.gz RTYSMHSFFFSVST-UHFFFAOYSA-N 1 1 272.348 3.358 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ncc(-c2ccc(OC)cc2)o1 ZINC000181291940 329229785 /nfs/dbraw/zinc/22/97/85/329229785.db2.gz RTYSMHSFFFSVST-UHFFFAOYSA-N 1 1 272.348 3.358 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)N(CC)[C@@H](C)c1ccc(F)cc1 ZINC000181322338 329231387 /nfs/dbraw/zinc/23/13/87/329231387.db2.gz QZPWPZVCKUUPMN-AWEZNQCLSA-N 1 1 292.398 3.243 20 30 CGEDMO C[N@H+](CC#Cc1cccc(Cl)c1)CCc1ccncc1 ZINC000181458670 329233484 /nfs/dbraw/zinc/23/34/84/329233484.db2.gz IBUPKHKENIGPBJ-UHFFFAOYSA-N 1 1 284.790 3.261 20 30 CGEDMO C=CCCCC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181555762 329234498 /nfs/dbraw/zinc/23/44/98/329234498.db2.gz SFPLLVIJFUPMAO-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO CC[C@H](CC#N)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000184095395 329256094 /nfs/dbraw/zinc/25/60/94/329256094.db2.gz SUGIAEJHDQAHEY-UAGQMJEPSA-N 1 1 271.408 3.104 20 30 CGEDMO CC[C@H](CC#N)[NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000184095395 329256096 /nfs/dbraw/zinc/25/60/96/329256096.db2.gz SUGIAEJHDQAHEY-UAGQMJEPSA-N 1 1 271.408 3.104 20 30 CGEDMO CCC(CC)[N@@H+](CC)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000582986756 329294134 /nfs/dbraw/zinc/29/41/34/329294134.db2.gz BNIFNEREZQNTOE-UHFFFAOYSA-N 1 1 293.455 3.182 20 30 CGEDMO C=CCCCCNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000583092677 329314778 /nfs/dbraw/zinc/31/47/78/329314778.db2.gz WRCAPKTUPINFLB-OAHLLOKOSA-N 1 1 294.826 3.415 20 30 CGEDMO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H]1CCC[C@H](C#N)C1 ZINC000185796780 329331955 /nfs/dbraw/zinc/33/19/55/329331955.db2.gz QHLOVRYTKBWRIU-BPKGMFCQSA-N 1 1 277.456 3.025 20 30 CGEDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H]1CCC[C@H](C#N)C1 ZINC000185796780 329331956 /nfs/dbraw/zinc/33/19/56/329331956.db2.gz QHLOVRYTKBWRIU-BPKGMFCQSA-N 1 1 277.456 3.025 20 30 CGEDMO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCCC#N ZINC000185945522 329333159 /nfs/dbraw/zinc/33/31/59/329333159.db2.gz OLWHCGNMHVDAKN-KKUMJFAQSA-N 1 1 292.423 3.265 20 30 CGEDMO CC(C)(C)c1nc(C[NH2+]CC(C)(C)CC#N)cs1 ZINC000459685595 329361932 /nfs/dbraw/zinc/36/19/32/329361932.db2.gz FMDDDLCEDPETTP-UHFFFAOYSA-N 1 1 265.426 3.470 20 30 CGEDMO C=CC1CC[NH+](Cc2nc(-c3ccccc3F)no2)CC1 ZINC000189022133 329374749 /nfs/dbraw/zinc/37/47/49/329374749.db2.gz NPDPVPDVLHQLHZ-UHFFFAOYSA-N 1 1 287.338 3.274 20 30 CGEDMO N#CC1CC[NH+](Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000123669591 329561137 /nfs/dbraw/zinc/56/11/37/329561137.db2.gz YNVJBVKPFJLBNZ-UHFFFAOYSA-N 1 1 284.281 3.163 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000527481507 330248363 /nfs/dbraw/zinc/24/83/63/330248363.db2.gz RZNUZNXFNPIQCP-KRWDZBQOSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(C(C)C)cc2)nn1 ZINC000424122034 330253717 /nfs/dbraw/zinc/25/37/17/330253717.db2.gz GKWQWOWVQUNPBZ-AWEZNQCLSA-N 1 1 284.407 3.438 20 30 CGEDMO C=CCCC[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000533046159 330326164 /nfs/dbraw/zinc/32/61/64/330326164.db2.gz LSJSQNJCHAWWBF-UHFFFAOYSA-N 1 1 278.371 3.441 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000533100473 330335431 /nfs/dbraw/zinc/33/54/31/330335431.db2.gz HZBXHURFQBTHRM-GFCCVEGCSA-N 1 1 251.757 3.369 20 30 CGEDMO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(SC)cc2)nn1 ZINC000424296337 330336141 /nfs/dbraw/zinc/33/61/41/330336141.db2.gz OEPPZZSZXMPEPW-LBPRGKRZSA-N 1 1 288.420 3.037 20 30 CGEDMO C[C@@H](C#N)C[N@H+](CCOc1cccc(Cl)c1)C1CC1 ZINC000533137917 330350376 /nfs/dbraw/zinc/35/03/76/330350376.db2.gz IMJIVBAVYBGBPR-LBPRGKRZSA-N 1 1 278.783 3.343 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](CCOc1cccc(Cl)c1)C1CC1 ZINC000533137917 330350377 /nfs/dbraw/zinc/35/03/77/330350377.db2.gz IMJIVBAVYBGBPR-LBPRGKRZSA-N 1 1 278.783 3.343 20 30 CGEDMO C=C(CC)C[N@@H+](CC)CC(=O)Nc1c(F)cccc1F ZINC000536881120 330360747 /nfs/dbraw/zinc/36/07/47/330360747.db2.gz KJLCMEAWIJINDG-UHFFFAOYSA-N 1 1 282.334 3.191 20 30 CGEDMO C=C(CC)C[N@H+](CC)CC(=O)Nc1c(F)cccc1F ZINC000536881120 330360748 /nfs/dbraw/zinc/36/07/48/330360748.db2.gz KJLCMEAWIJINDG-UHFFFAOYSA-N 1 1 282.334 3.191 20 30 CGEDMO CC(C)Oc1ccccc1C[NH+]1CCC(C#N)CC1 ZINC000057872789 330379237 /nfs/dbraw/zinc/37/92/37/330379237.db2.gz FIULDZYXBWUOPX-UHFFFAOYSA-N 1 1 258.365 3.209 20 30 CGEDMO C=CCC[C@H]([NH2+][C@H](C)C1CCSCC1)C(=O)OCC ZINC000449654618 330942071 /nfs/dbraw/zinc/94/20/71/330942071.db2.gz FEFULEDMABGZPX-OCCSQVGLSA-N 1 1 285.453 3.006 20 30 CGEDMO C=CCC[C@@H]([NH2+]C1CCC(CSC)CC1)C(=O)OCC ZINC000449652770 330942124 /nfs/dbraw/zinc/94/21/24/330942124.db2.gz BOBBEFHLQSHQSP-YMAMQOFZSA-N 1 1 299.480 3.396 20 30 CGEDMO COC[C@@]1(C)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000451204849 331020430 /nfs/dbraw/zinc/02/04/30/331020430.db2.gz WEIHRECZGLBSQL-INIZCTEOSA-N 1 1 277.795 3.050 20 30 CGEDMO COC[C@@]1(C)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000451204849 331020431 /nfs/dbraw/zinc/02/04/31/331020431.db2.gz WEIHRECZGLBSQL-INIZCTEOSA-N 1 1 277.795 3.050 20 30 CGEDMO C[C@H]([N@@H+](C)Cc1ccccc1C(C)(C)C#N)C(C)(C)O ZINC000451356228 331025626 /nfs/dbraw/zinc/02/56/26/331025626.db2.gz AKPHUHDDFFOHDD-ZDUSSCGKSA-N 1 1 274.408 3.079 20 30 CGEDMO CO[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C[C@@H]1C ZINC000451576565 331035095 /nfs/dbraw/zinc/03/50/95/331035095.db2.gz UKKFWXVPCJYQJL-BBRMVZONSA-N 1 1 277.795 3.048 20 30 CGEDMO CO[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C[C@@H]1C ZINC000451576565 331035096 /nfs/dbraw/zinc/03/50/96/331035096.db2.gz UKKFWXVPCJYQJL-BBRMVZONSA-N 1 1 277.795 3.048 20 30 CGEDMO CC[C@H]1C[N@@H+](CC)CCN1Cc1ccccc1C(C)(C)C#N ZINC000451729079 331040436 /nfs/dbraw/zinc/04/04/36/331040436.db2.gz IXIJSEUJNAITTE-KRWDZBQOSA-N 1 1 299.462 3.404 20 30 CGEDMO CC[C@H]1CN(CC)CC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000451729079 331040437 /nfs/dbraw/zinc/04/04/37/331040437.db2.gz IXIJSEUJNAITTE-KRWDZBQOSA-N 1 1 299.462 3.404 20 30 CGEDMO CC[C@H]1CN(CC)CC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000451729079 331040438 /nfs/dbraw/zinc/04/04/38/331040438.db2.gz IXIJSEUJNAITTE-KRWDZBQOSA-N 1 1 299.462 3.404 20 30 CGEDMO COC[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000452081392 331053228 /nfs/dbraw/zinc/05/32/28/331053228.db2.gz JTEPXBBAKVTKQM-MRXNPFEDSA-N 1 1 291.822 3.440 20 30 CGEDMO C=C(CC)CNC(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000456829634 331206415 /nfs/dbraw/zinc/20/64/15/331206415.db2.gz OZJVXWZBNFJJCK-UHFFFAOYSA-N 1 1 286.419 3.367 20 30 CGEDMO C[N@@H+](CCc1cccc(Cl)c1)CC(C)(C)C#N ZINC000459580926 331289200 /nfs/dbraw/zinc/28/92/00/331289200.db2.gz BQAINTASCIWQEF-UHFFFAOYSA-N 1 1 250.773 3.364 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccn(C)n1 ZINC000459786634 331300846 /nfs/dbraw/zinc/30/08/46/331300846.db2.gz KPDIDLQKSMMVKW-CYBMUJFWSA-N 1 1 282.391 3.072 20 30 CGEDMO C=CC[C@H](C)[C@@H](C)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000462876899 331333750 /nfs/dbraw/zinc/33/37/50/331333750.db2.gz YDZWDJNEKSURRJ-DAYGRLMNSA-N 1 1 288.435 3.266 20 30 CGEDMO CC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)CC(C)(C)C ZINC000463370907 331346598 /nfs/dbraw/zinc/34/65/98/331346598.db2.gz VTBAHUAYSXBINW-UHFFFAOYSA-N 1 1 293.455 3.039 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1 ZINC000489458975 332053966 /nfs/dbraw/zinc/05/39/66/332053966.db2.gz FOURKNPYHYQNCP-CQSZACIVSA-N 1 1 278.783 3.319 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1 ZINC000489458975 332053967 /nfs/dbraw/zinc/05/39/67/332053967.db2.gz FOURKNPYHYQNCP-CQSZACIVSA-N 1 1 278.783 3.319 20 30 CGEDMO C=CC[C@H](C(=O)Nc1cc[nH+]c(N(C)C)c1)c1ccccc1 ZINC000489582305 332060080 /nfs/dbraw/zinc/06/00/80/332060080.db2.gz GRANDYGIAJRRDA-INIZCTEOSA-N 1 1 295.386 3.446 20 30 CGEDMO C#CC[N@@H+](Cc1nccn1C(F)F)C1CCCCC1 ZINC000490841410 332119567 /nfs/dbraw/zinc/11/95/67/332119567.db2.gz UJKXZHHIRSRAPT-UHFFFAOYSA-N 1 1 267.323 3.046 20 30 CGEDMO C#CC[N@H+](Cc1nccn1C(F)F)C1CCCCC1 ZINC000490841410 332119568 /nfs/dbraw/zinc/11/95/68/332119568.db2.gz UJKXZHHIRSRAPT-UHFFFAOYSA-N 1 1 267.323 3.046 20 30 CGEDMO C#CC[N@H+](Cc1oc(CCC)nc1C)C1CCCC1 ZINC000491486414 332221016 /nfs/dbraw/zinc/22/10/16/332221016.db2.gz WABFUQGFMMSPNB-UHFFFAOYSA-N 1 1 260.381 3.313 20 30 CGEDMO C=CCNC(=O)C[N@H+](C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000175434727 333024794 /nfs/dbraw/zinc/02/47/94/333024794.db2.gz TWGFTBXOTPJOKL-CHWSQXEVSA-N 1 1 294.826 3.066 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000185521162 333142991 /nfs/dbraw/zinc/14/29/91/333142991.db2.gz FJUJNAFFEYPXOO-HZPDHXFCSA-N 1 1 288.435 3.225 20 30 CGEDMO C=CC[N@H+](CC[C@@H]1CCCO1)Cc1ccc(OC)cc1 ZINC000188850605 333174838 /nfs/dbraw/zinc/17/48/38/333174838.db2.gz QVLVMNYPLQYLEK-KRWDZBQOSA-N 1 1 275.392 3.252 20 30 CGEDMO CC[N@@H+](Cc1ccc(C(=O)N[C@@](C)(C#N)CC)cc1)C1CC1 ZINC000523071530 333306944 /nfs/dbraw/zinc/30/69/44/333306944.db2.gz QSULRIOZHPYMQU-GOSISDBHSA-N 1 1 299.418 3.093 20 30 CGEDMO C[C@@H]1c2c(F)cccc2CC[N@@H+]1CCCSCC#N ZINC000524791711 333388149 /nfs/dbraw/zinc/38/81/49/333388149.db2.gz MJHJJGNVHUARAI-GFCCVEGCSA-N 1 1 278.396 3.392 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CC[C@H](c3ccncc3)C2)cc1 ZINC000576050252 335146332 /nfs/dbraw/zinc/14/63/32/335146332.db2.gz BPULJGTZHREVNN-SFHVURJKSA-N 1 1 277.371 3.137 20 30 CGEDMO CSc1ccc(C[NH2+]Cc2ccc(C#N)o2)cc1 ZINC000174302525 335152267 /nfs/dbraw/zinc/15/22/67/335152267.db2.gz FPZSIKXJSWGGDH-UHFFFAOYSA-N 1 1 258.346 3.163 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1CC ZINC000076738495 334088307 /nfs/dbraw/zinc/08/83/07/334088307.db2.gz KDIQJYBRJXFTPX-AWEZNQCLSA-N 1 1 274.408 3.474 20 30 CGEDMO C[N@@H+](CC#Cc1ccccc1Cl)[C@H](CO)C(C)(C)C ZINC000135215167 334119721 /nfs/dbraw/zinc/11/97/21/334119721.db2.gz RIDVQEPFDFJMEJ-OAHLLOKOSA-N 1 1 279.811 3.030 20 30 CGEDMO C=CCOCC[N@H+](C)Cc1ccc2ccccc2c1 ZINC000549346285 334190859 /nfs/dbraw/zinc/19/08/59/334190859.db2.gz ZCUNSXBQORCGDF-UHFFFAOYSA-N 1 1 255.361 3.474 20 30 CGEDMO COc1ccc(C[C@H](C)C[N@@H+](C)C[C@@H](C#N)CCC#N)cc1 ZINC000245589411 334205597 /nfs/dbraw/zinc/20/55/97/334205597.db2.gz OFTSSNZQZKVFJX-DOTOQJQBSA-N 1 1 299.418 3.249 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CC[C@H](CC3CC3)C2)cc1 ZINC000550029144 334211619 /nfs/dbraw/zinc/21/16/19/334211619.db2.gz NZZOCEBASDNFLC-MRXNPFEDSA-N 1 1 257.352 3.299 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)CCCO1 ZINC000550188027 334215800 /nfs/dbraw/zinc/21/58/00/334215800.db2.gz JGPPWMAPUQVGPQ-KRWDZBQOSA-N 1 1 291.822 3.438 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000248616282 334309089 /nfs/dbraw/zinc/30/90/89/334309089.db2.gz IWADZIUNXMHQRA-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000248889744 334320880 /nfs/dbraw/zinc/32/08/80/334320880.db2.gz FODUMPDSPNKOMG-PBHICJAKSA-N 1 1 280.456 3.215 20 30 CGEDMO Cc1ccc(C[N@H+](C)Cc2ccc(CC#N)cc2)o1 ZINC000342693097 335185654 /nfs/dbraw/zinc/18/56/54/335185654.db2.gz LSVUICKGIZZNRI-UHFFFAOYSA-N 1 1 254.333 3.286 20 30 CGEDMO C=CCCC[N@H+](C)Cc1nc2c(s1)CCCC2 ZINC000175543720 335187465 /nfs/dbraw/zinc/18/74/65/335187465.db2.gz VLAINGPSESSOIM-UHFFFAOYSA-N 1 1 250.411 3.420 20 30 CGEDMO CC(C)([NH2+]Cc1ccc(CC#N)cc1)c1nccs1 ZINC000343411793 335204097 /nfs/dbraw/zinc/20/40/97/335204097.db2.gz CIBYFFCQBZUYCT-UHFFFAOYSA-N 1 1 271.389 3.234 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)cc1 ZINC000576634483 335228189 /nfs/dbraw/zinc/22/81/89/335228189.db2.gz NOKPGYJQKBQPIF-IBGZPJMESA-N 1 1 292.382 3.406 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(Cl)c(OC)c1 ZINC000577122529 335304226 /nfs/dbraw/zinc/30/42/26/335304226.db2.gz STAGSHAQLQMWPV-LLVKDONJSA-N 1 1 252.745 3.130 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000535775478 500576936 /nfs/dbraw/zinc/57/69/36/500576936.db2.gz LKJUQGQHCWJPSW-CYBMUJFWSA-N 1 1 273.376 3.193 20 30 CGEDMO C=CCOCCC[N@H+](C)[C@@H]1CCCc2nc(C)sc21 ZINC000348041995 500578569 /nfs/dbraw/zinc/57/85/69/500578569.db2.gz FMAPRVCBXXXTIJ-CQSZACIVSA-N 1 1 280.437 3.353 20 30 CGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC(C)(C)C[C@@H]1C ZINC000412050759 534297412 /nfs/dbraw/zinc/29/74/12/534297412.db2.gz ZJPDCKNOSAKDBW-QWHCGFSZSA-N 1 1 285.391 3.006 20 30 CGEDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000163874361 525820994 /nfs/dbraw/zinc/82/09/94/525820994.db2.gz BGIPLUCDPQNFQI-DOMZBBRYSA-N 1 1 292.810 3.337 20 30 CGEDMO C=Cn1cc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)cn1 ZINC000425364919 526279286 /nfs/dbraw/zinc/27/92/86/526279286.db2.gz HWVIQKZYIDLCEE-ZDUSSCGKSA-N 1 1 266.348 3.048 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1conc1CC ZINC000352831056 526326942 /nfs/dbraw/zinc/32/69/42/526326942.db2.gz LOGDVKYGNLFSDH-UHFFFAOYSA-N 1 1 260.337 3.061 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1nc(-c2ccoc2)no1 ZINC000352721681 526327862 /nfs/dbraw/zinc/32/78/62/526327862.db2.gz VXBSUQBSOXRHHB-UHFFFAOYSA-N 1 1 299.330 3.153 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1nc(-c2ccoc2)no1 ZINC000352721681 526327865 /nfs/dbraw/zinc/32/78/65/526327865.db2.gz VXBSUQBSOXRHHB-UHFFFAOYSA-N 1 1 299.330 3.153 20 30 CGEDMO C=CC[N@H+](Cc1cnn(CC)c1)CC1CCCCC1 ZINC000353563961 526380186 /nfs/dbraw/zinc/38/01/86/526380186.db2.gz NMTGOGVPOBFQCS-UHFFFAOYSA-N 1 1 261.413 3.471 20 30 CGEDMO C=C(C)CC[N@H+](C)Cc1cc(OC)c(OC)cc1C ZINC000352113837 526439105 /nfs/dbraw/zinc/43/91/05/526439105.db2.gz OMFGVBPEHYSKDW-UHFFFAOYSA-N 1 1 263.381 3.410 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000336189234 526455846 /nfs/dbraw/zinc/45/58/46/526455846.db2.gz SNMRQZUPFFAFOV-LLVKDONJSA-N 1 1 260.312 3.332 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1cnc([C@@H]2CCCO2)s1 ZINC000353163774 526504921 /nfs/dbraw/zinc/50/49/21/526504921.db2.gz NQBXVVGUVYTBRL-LBPRGKRZSA-N 1 1 252.383 3.003 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cnc([C@@H]2CCCO2)s1 ZINC000353163774 526504931 /nfs/dbraw/zinc/50/49/31/526504931.db2.gz NQBXVVGUVYTBRL-LBPRGKRZSA-N 1 1 252.383 3.003 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)Cc1ccnc(C)n1 ZINC000353255564 526567691 /nfs/dbraw/zinc/56/76/91/526567691.db2.gz GOHKLCGOJJLBCD-UHFFFAOYSA-N 1 1 267.376 3.363 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1ccnc(C)n1 ZINC000353255564 526567697 /nfs/dbraw/zinc/56/76/97/526567697.db2.gz GOHKLCGOJJLBCD-UHFFFAOYSA-N 1 1 267.376 3.363 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000157005076 526735355 /nfs/dbraw/zinc/73/53/55/526735355.db2.gz ZXJGWMJIAIXSGU-HNNXBMFYSA-N 1 1 283.400 3.394 20 30 CGEDMO C=CCOCCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000347961162 526749547 /nfs/dbraw/zinc/74/95/47/526749547.db2.gz HFGJDBPOTJGTHJ-UHFFFAOYSA-N 1 1 292.379 3.398 20 30 CGEDMO C=CCOCCC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000348059576 526754149 /nfs/dbraw/zinc/75/41/49/526754149.db2.gz WJJINNXYPIIRJE-OAHLLOKOSA-N 1 1 289.375 3.145 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000353175191 526934111 /nfs/dbraw/zinc/93/41/11/526934111.db2.gz RPSHEEXVNCIRQX-KRWDZBQOSA-N 1 1 275.392 3.108 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCO[C@H](C(C)C)C1 ZINC000353175191 526934114 /nfs/dbraw/zinc/93/41/14/526934114.db2.gz RPSHEEXVNCIRQX-KRWDZBQOSA-N 1 1 275.392 3.108 20 30 CGEDMO C=CCCC1(C(=O)NCC[N@@H+]2CCCC[C@@H]2CC)CC1 ZINC000356103719 527087294 /nfs/dbraw/zinc/08/72/94/527087294.db2.gz ZHVXLKFUSZUYEF-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000346974889 527194345 /nfs/dbraw/zinc/19/43/45/527194345.db2.gz UHXHOYYRWIMCMW-CYBMUJFWSA-N 1 1 278.371 3.359 20 30 CGEDMO C=CCCC[N@H+](CC)C[C@H]1COc2ccccc2O1 ZINC000344595294 527194977 /nfs/dbraw/zinc/19/49/77/527194977.db2.gz GVUATRYIWDIFSE-AWEZNQCLSA-N 1 1 261.365 3.115 20 30 CGEDMO C=CCCCN1CC[NH+](Cc2ccccc2C)CC1 ZINC000344605109 527199776 /nfs/dbraw/zinc/19/97/76/527199776.db2.gz SZVUHNBKGWEGLR-UHFFFAOYSA-N 1 1 258.409 3.079 20 30 CGEDMO C=CCC[C@@H](C)[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000192923725 527425150 /nfs/dbraw/zinc/42/51/50/527425150.db2.gz OSAFPNKLKFZYMM-SJLPKXTDSA-N 1 1 272.436 3.453 20 30 CGEDMO CCO[C@H]1C[C@H]([N@H+](C)Cc2cccc(F)c2C#N)C1(C)C ZINC000428217309 528131138 /nfs/dbraw/zinc/13/11/38/528131138.db2.gz JBEOHDAIIHEZGS-HOTGVXAUSA-N 1 1 290.382 3.333 20 30 CGEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cccc(F)c2C#N)C1(C)C ZINC000428217309 528131141 /nfs/dbraw/zinc/13/11/41/528131141.db2.gz JBEOHDAIIHEZGS-HOTGVXAUSA-N 1 1 290.382 3.333 20 30 CGEDMO CC(C)c1ccc[nH+]c1NCc1cc(C#N)n(C)c1 ZINC000358377138 528208022 /nfs/dbraw/zinc/20/80/22/528208022.db2.gz CHFONAHXYQLZRI-UHFFFAOYSA-N 1 1 254.337 3.027 20 30 CGEDMO CC(C)[C@@H](C)[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441233281 528406413 /nfs/dbraw/zinc/40/64/13/528406413.db2.gz MNSCAJCODKJVTI-GFCCVEGCSA-N 1 1 284.363 3.085 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C(C)C ZINC000437434682 528770467 /nfs/dbraw/zinc/77/04/67/528770467.db2.gz RRDUSBQUAZSIOO-UHFFFAOYSA-N 1 1 268.307 3.390 20 30 CGEDMO CC[C@@H](NC[C@@H](C)[NH+](CC)CC)c1ccc(C#N)cc1 ZINC000359029580 529171966 /nfs/dbraw/zinc/17/19/66/529171966.db2.gz MCRUDSNBOWQGTF-RHSMWYFYSA-N 1 1 273.424 3.329 20 30 CGEDMO CC[C@@H]([NH2+][C@H](C)c1ccn(C)n1)c1ccc(C#N)cc1 ZINC000414184848 529205776 /nfs/dbraw/zinc/20/57/76/529205776.db2.gz OLWOOZUQVVGYCI-IUODEOHRSA-N 1 1 268.364 3.094 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)ccc1F)C[C@](C)(O)c1ccccc1 ZINC000727828513 571772070 /nfs/dbraw/zinc/77/20/70/571772070.db2.gz RZBXJSXZOKHWFN-SFHVURJKSA-N 1 1 298.361 3.037 20 30 CGEDMO CCCCCCCCC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000732036870 572446096 /nfs/dbraw/zinc/44/60/96/572446096.db2.gz YDMDIUDMMRDRHI-MRXNPFEDSA-N 1 1 280.456 3.432 20 30 CGEDMO CCCCCCCC[N@H+]1CCCC[C@H]1CC(N)=O ZINC000740876044 572465681 /nfs/dbraw/zinc/46/56/81/572465681.db2.gz LJJDLZPPPLWNQJ-AWEZNQCLSA-N 1 1 254.418 3.077 20 30 CGEDMO CCCCCCC[N@@H+](C)CC(=O)NCc1ccccc1 ZINC000740878778 572466395 /nfs/dbraw/zinc/46/63/95/572466395.db2.gz XRIJVEKZMDYVSZ-UHFFFAOYSA-N 1 1 276.424 3.205 20 30 CGEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)OCCCC#N)cc1 ZINC000741336776 572493497 /nfs/dbraw/zinc/49/34/97/572493497.db2.gz CZTJVSVDPFWZSQ-UHFFFAOYSA-N 1 1 288.391 3.379 20 30 CGEDMO CC[N@H+]1CCC(N=Nc2nc3ccccc3s2)[C@@H](C)C1 ZINC000741451485 572498464 /nfs/dbraw/zinc/49/84/64/572498464.db2.gz PUWFHZBSNCTWDJ-NSHDSACASA-N 1 1 288.420 3.426 20 30 CGEDMO CCN(C)c1ccc(C[N@H+](CC)C[C@H](C)C#N)cc1 ZINC000741753768 572522256 /nfs/dbraw/zinc/52/22/56/572522256.db2.gz AOJIGABGLOGUOO-CQSZACIVSA-N 1 1 259.397 3.124 20 30 CGEDMO CCN(C)c1ccc(C[N@@H+](CC)C[C@H](C)C#N)cc1 ZINC000741753768 572522261 /nfs/dbraw/zinc/52/22/61/572522261.db2.gz AOJIGABGLOGUOO-CQSZACIVSA-N 1 1 259.397 3.124 20 30 CGEDMO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2nccs2)c1 ZINC000733800318 572605924 /nfs/dbraw/zinc/60/59/24/572605924.db2.gz MEODUHXIXDYDMV-CYBMUJFWSA-N 1 1 287.388 3.114 20 30 CGEDMO C#CCC[NH+]1CCN(C(=O)CCCCCCCCC)CC1 ZINC000744366646 572747101 /nfs/dbraw/zinc/74/71/01/572747101.db2.gz XQJADSSPTREZKJ-UHFFFAOYSA-N 1 1 292.467 3.295 20 30 CGEDMO C=CCCC[N@@H+](C)Cn1ccn(C(C)C)c1=S ZINC000736589604 572800558 /nfs/dbraw/zinc/80/05/58/572800558.db2.gz JSXZPPVQCDFCFB-UHFFFAOYSA-N 1 1 253.415 3.455 20 30 CGEDMO C=CCCC[N@H+](C)Cn1ccn(C(C)C)c1=S ZINC000736589604 572800562 /nfs/dbraw/zinc/80/05/62/572800562.db2.gz JSXZPPVQCDFCFB-UHFFFAOYSA-N 1 1 253.415 3.455 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccccc1Oc1cccnc1 ZINC000746457634 572871657 /nfs/dbraw/zinc/87/16/57/572871657.db2.gz ODWYRVFRGVNNJI-UHFFFAOYSA-N 1 1 266.344 3.329 20 30 CGEDMO C=CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000747524993 572934284 /nfs/dbraw/zinc/93/42/84/572934284.db2.gz VLVJADYHAYIKNV-UHFFFAOYSA-N 1 1 252.289 3.130 20 30 CGEDMO C=CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000747524993 572934287 /nfs/dbraw/zinc/93/42/87/572934287.db2.gz VLVJADYHAYIKNV-UHFFFAOYSA-N 1 1 252.289 3.130 20 30 CGEDMO C#CC[N@@H+](CC)[C@@H](C)C(=O)Nc1ccccc1[C@H](C)CC ZINC000749154639 572990009 /nfs/dbraw/zinc/99/00/09/572990009.db2.gz FOTJIVMCOWYYDV-CABCVRRESA-N 1 1 286.419 3.482 20 30 CGEDMO C#CC[N@H+](CC)[C@@H](C)C(=O)Nc1ccccc1[C@H](C)CC ZINC000749154639 572990010 /nfs/dbraw/zinc/99/00/10/572990010.db2.gz FOTJIVMCOWYYDV-CABCVRRESA-N 1 1 286.419 3.482 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC ZINC000969039421 613251197 /nfs/dbraw/zinc/25/11/97/613251197.db2.gz KZMHZEDQGCMIQH-BRWVUGGUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)C2=CCCC2)CC1 ZINC000948295476 613256325 /nfs/dbraw/zinc/25/63/25/613256325.db2.gz VSROWUNPIFWXAG-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC)C1 ZINC000963216020 613257053 /nfs/dbraw/zinc/25/70/53/613257053.db2.gz IPZSVDGNQQSCNV-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C(C)=C2CCC2)C[C@@H]1C ZINC000947301686 613265370 /nfs/dbraw/zinc/26/53/70/613265370.db2.gz XTYWOILBSYDCGS-WMLDXEAASA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)CC2CCCC2)C1 ZINC000964803247 613269690 /nfs/dbraw/zinc/26/96/90/613269690.db2.gz KXZQTOXFRPZKMJ-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2(C)CC=CC2)[C@@H](C)C1 ZINC000942602096 613270429 /nfs/dbraw/zinc/27/04/29/613270429.db2.gz CYWAPUVPUXNWGT-HOTGVXAUSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2)C[C@H]1C ZINC000947005476 613271626 /nfs/dbraw/zinc/27/16/26/613271626.db2.gz PTKIQARSMQDTOL-WBVHZDCISA-N 1 1 286.419 3.236 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C(C)C)C2)C1 ZINC000961149147 613273698 /nfs/dbraw/zinc/27/36/98/613273698.db2.gz VUIPVWHBQQMCEB-IRXDYDNUSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC000980456005 613285061 /nfs/dbraw/zinc/28/50/61/613285061.db2.gz GTXBJOAVGBAEOH-AEFFLSMTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)C2(C)CCCCCC2)C1 ZINC000971698469 613287887 /nfs/dbraw/zinc/28/78/87/613287887.db2.gz ZHXLCPWYKVHPMB-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)CC2CCCCC2)C1 ZINC000971026634 613288323 /nfs/dbraw/zinc/28/83/23/613288323.db2.gz SXZKUULNTCAMIY-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1coc(C)c1 ZINC000968821830 613306724 /nfs/dbraw/zinc/30/67/24/613306724.db2.gz GGEUPPMVEMBWBS-MRXNPFEDSA-N 1 1 290.407 3.139 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@]2(CC)C(C)C)CC1 ZINC000983389440 613309971 /nfs/dbraw/zinc/30/99/71/613309971.db2.gz JZPUNTRZFSGCAV-WMZOPIPTSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)[C@H]2CC[C@H](C(C)C)CC2)CC1 ZINC000952407621 613318406 /nfs/dbraw/zinc/31/84/06/613318406.db2.gz ZUBMMPIIDNKUSV-QAQDUYKDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C=C2CCCCC2)C1 ZINC000965450506 613323886 /nfs/dbraw/zinc/32/38/86/613323886.db2.gz QIBOROHTNHHIHA-WBVHZDCISA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC000965859073 613325258 /nfs/dbraw/zinc/32/52/58/613325258.db2.gz GMKLSQHPZHRSNV-ZIAGYGMSSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)CC2=CCCCC2)C1 ZINC000965621898 613325369 /nfs/dbraw/zinc/32/53/69/613325369.db2.gz HVRWSRNVGGBXAH-NVXWUHKLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C(F)=C2CCCC2)C[C@@H]1C ZINC000947196412 613326841 /nfs/dbraw/zinc/32/68/41/613326841.db2.gz UFXYHNSFPNKAHT-DZGCQCFKSA-N 1 1 294.414 3.329 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(Cl)o2)C[C@H]1C ZINC000947061232 613329782 /nfs/dbraw/zinc/32/97/82/613329782.db2.gz NOQBPMFZGCTWIX-VXGBXAGGSA-N 1 1 296.798 3.092 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cscc2C)C1 ZINC000965770369 613334451 /nfs/dbraw/zinc/33/44/51/613334451.db2.gz YADCRSZMCOWHPY-SWLSCSKDSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)C2CC2)C(C)(C)C1 ZINC000940955307 613334466 /nfs/dbraw/zinc/33/44/66/613334466.db2.gz VAOCTWMOQLTKGF-HNNXBMFYSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2CCC)C(C)(C)C1 ZINC000941015857 613335607 /nfs/dbraw/zinc/33/56/07/613335607.db2.gz VLLLUIGYFOGBIY-OAGGEKHMSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)oc2C)C[C@H]1C ZINC000947032925 613335845 /nfs/dbraw/zinc/33/58/45/613335845.db2.gz WFIGJXCQLGDJFY-DOMZBBRYSA-N 1 1 290.407 3.055 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cccs2)C(C)(C)C1 ZINC000940550669 613336241 /nfs/dbraw/zinc/33/62/41/613336241.db2.gz OEKQFHRNSCUUPI-AWEZNQCLSA-N 1 1 292.448 3.155 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)CC(C)(C)C)C2)C1 ZINC000981624145 613372779 /nfs/dbraw/zinc/37/27/79/613372779.db2.gz KVYJUACIORAQFQ-UHFFFAOYSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)CC(C)(C)C)C2)C1 ZINC000981624145 613372780 /nfs/dbraw/zinc/37/27/80/613372780.db2.gz KVYJUACIORAQFQ-UHFFFAOYSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](N(C)C(=O)C=C2CCC2)CC1 ZINC000948286006 613374343 /nfs/dbraw/zinc/37/43/43/613374343.db2.gz JAOUHDVGTCIMRA-HNNXBMFYSA-N 1 1 296.842 3.162 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(C)CCCC2)C[C@@H]1C ZINC000947588223 613376089 /nfs/dbraw/zinc/37/60/89/613376089.db2.gz AHFORACTFNLBPG-UONOGXRCSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(C)CCCC2)C[C@@H]1C ZINC000947588223 613376090 /nfs/dbraw/zinc/37/60/90/613376090.db2.gz AHFORACTFNLBPG-UONOGXRCSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2=CCCC2)C(C)(C)C1 ZINC000940672004 613378506 /nfs/dbraw/zinc/37/85/06/613378506.db2.gz FOJQWBNLDIGQJI-AWEZNQCLSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2=CCCC2)C(C)(C)C1 ZINC000940672004 613378507 /nfs/dbraw/zinc/37/85/07/613378507.db2.gz FOJQWBNLDIGQJI-AWEZNQCLSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C[C@H](C(=O)N1CC[C@H]([N@@H+](C)CC(=C)C)C1)c1ccccc1 ZINC000980463202 613481768 /nfs/dbraw/zinc/48/17/68/613481768.db2.gz UGMREJFISQHECO-ROUUACIJSA-N 1 1 298.430 3.065 20 30 CGEDMO C=CCC[N@H+]1CCCN(C(=O)c2ccc3occc3c2)CC1 ZINC000981218752 613497624 /nfs/dbraw/zinc/49/76/24/613497624.db2.gz PMAZRZNFSUWWPQ-UHFFFAOYSA-N 1 1 298.386 3.157 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC(C)C)C1 ZINC000963245160 613500349 /nfs/dbraw/zinc/50/03/49/613500349.db2.gz SPKNISCYDBMSMM-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)C[C@H]2C=CCC2)CC1 ZINC000948173295 613500847 /nfs/dbraw/zinc/50/08/47/613500847.db2.gz JIYBHTZDQPQPQP-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[NH+]1CCN(C(=O)c2cc(C(C)C)oc2C)CC1 ZINC000957028649 613509470 /nfs/dbraw/zinc/50/94/70/613509470.db2.gz DAVLJIBHMJPYCQ-UHFFFAOYSA-N 1 1 290.407 3.045 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)CC2CCCCC2)[C@@H](C)C1 ZINC000941772354 613520865 /nfs/dbraw/zinc/52/08/65/613520865.db2.gz MYXIMRFDDIZRRU-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cc(C)cs2)C1 ZINC000965999882 613531562 /nfs/dbraw/zinc/53/15/62/613531562.db2.gz HYTWPEUCIRVEBU-UONOGXRCSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C)s2)C[C@@H]1C ZINC000946999889 613538520 /nfs/dbraw/zinc/53/85/20/613538520.db2.gz DITNSLVYYBRYPL-JSGCOSHPSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)c2csc(C)c2)[C@@H](C)C1 ZINC000943647774 613541934 /nfs/dbraw/zinc/54/19/34/613541934.db2.gz RENTYYGPOOYUQS-WFASDCNBSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](NC(=O)C2=CCCCCC2)C(C)(C)C1 ZINC000974506518 613543272 /nfs/dbraw/zinc/54/32/72/613543272.db2.gz NUCIADWFNQBZTQ-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C(C)(C)C1 ZINC000974822799 613554921 /nfs/dbraw/zinc/55/49/21/613554921.db2.gz VXXCDJQCDZIDPC-KFWWJZLASA-N 1 1 292.467 3.071 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)C2CCCCC2)C1 ZINC000972507077 613610432 /nfs/dbraw/zinc/61/04/32/613610432.db2.gz PZIGDIRDTLMSCR-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccccc2C(C)C)C1 ZINC000971644007 613622718 /nfs/dbraw/zinc/62/27/18/613622718.db2.gz CZVRTPGAFYGNLU-OAHLLOKOSA-N 1 1 286.419 3.142 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1csc(C)c1 ZINC000969072671 613685505 /nfs/dbraw/zinc/68/55/05/613685505.db2.gz OXWRJLOEHHOYEU-OAHLLOKOSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC2(C)C)CC1 ZINC000948692427 613704614 /nfs/dbraw/zinc/70/46/14/613704614.db2.gz CIMVGJRVBZTIIO-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCCC23CC3)CC1 ZINC000948542385 613704699 /nfs/dbraw/zinc/70/46/99/613704699.db2.gz RAPQBNSGPAJACO-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C2CCC(C)(C)CC2)C1 ZINC000968693418 613727557 /nfs/dbraw/zinc/72/75/57/613727557.db2.gz ZDQCHMVNVYHEHC-ZBFHGGJFSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)CC2CCCCCC2)C1 ZINC000968365274 613733068 /nfs/dbraw/zinc/73/30/68/613733068.db2.gz MCQIIEFGZQBCPA-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3occc3c2)C[C@@H]1C ZINC000947334761 613753118 /nfs/dbraw/zinc/75/31/18/613753118.db2.gz RRMQTXNUINXJOF-XJKSGUPXSA-N 1 1 298.386 3.202 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccsc2Cl)C[C@H]1C ZINC000947779390 613756247 /nfs/dbraw/zinc/75/62/47/613756247.db2.gz OZOAPZVOADQNPR-GHMZBOCLSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccsc2Cl)C1 ZINC000968386612 613770452 /nfs/dbraw/zinc/77/04/52/613770452.db2.gz MKXXOHJHXOWNQI-JQWIXIFHSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2occc2C(C)C)C1 ZINC000967994362 613770903 /nfs/dbraw/zinc/77/09/03/613770903.db2.gz MYADPXAHWFVMJD-ZFWWWQNUSA-N 1 1 290.407 3.029 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)[C@H](C)C1 ZINC000945365236 613779312 /nfs/dbraw/zinc/77/93/12/613779312.db2.gz IQJHJXLIWDKHSQ-KGLIPLIRSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)c2cc3ccccc3o2)C(C)(C)C1 ZINC000977556350 613828819 /nfs/dbraw/zinc/82/88/19/613828819.db2.gz IYPOZPUDTNVRAL-INIZCTEOSA-N 1 1 298.386 3.059 20 30 CGEDMO C=CC[C@H]1CCN1C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000890562636 617646010 /nfs/dbraw/zinc/64/60/10/617646010.db2.gz CQJFMKHBSOCFAX-ROUUACIJSA-N 1 1 298.430 3.076 20 30 CGEDMO C#CC[C@@H](Cc1ccccc1)Nc1cc(C)cc[nH+]1 ZINC000804807645 617848733 /nfs/dbraw/zinc/84/87/33/617848733.db2.gz JJCWLDSXKKMPCZ-INIZCTEOSA-N 1 1 250.345 3.437 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)/C(C)=C/C)C1 ZINC001021553373 618037648 /nfs/dbraw/zinc/03/76/48/618037648.db2.gz HMYLBSWUPPGMQP-BUZWVPAYSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810910266 618061985 /nfs/dbraw/zinc/06/19/85/618061985.db2.gz FVEOTWWIVULJJW-BBRMVZONSA-N 1 1 284.419 3.060 20 30 CGEDMO CC(C)C[N@H+](CCC#N)C[C@H]1C[C@]1(C)Br ZINC000891464985 618228595 /nfs/dbraw/zinc/22/85/95/618228595.db2.gz MSGPPBOTAIHZOU-NEPJUHHUSA-N 1 1 273.218 3.032 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)C[C@H]1C[C@]1(C)Br ZINC000891464985 618228600 /nfs/dbraw/zinc/22/86/00/618228600.db2.gz MSGPPBOTAIHZOU-NEPJUHHUSA-N 1 1 273.218 3.032 20 30 CGEDMO C=CC1(CC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)CCCCC1 ZINC000933433510 618231321 /nfs/dbraw/zinc/23/13/21/618231321.db2.gz DVDASONOPMUTEB-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO Cc1cc(F)c(C#N)c(NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000891718046 618259404 /nfs/dbraw/zinc/25/94/04/618259404.db2.gz KFNKHPNVSNXETG-UHFFFAOYSA-N 1 1 298.365 3.193 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1ccc2c(c1)COC2 ZINC000933773112 618324116 /nfs/dbraw/zinc/32/41/16/618324116.db2.gz CKNCMOKLFSJUHF-UHFFFAOYSA-N 1 1 284.384 3.282 20 30 CGEDMO CSCC[C@H](C)[N@@H+](C)Cc1csc(C#N)c1 ZINC000892083490 618523590 /nfs/dbraw/zinc/52/35/90/618523590.db2.gz JOUNPRAQIZWRHE-JTQLQIEISA-N 1 1 254.424 3.193 20 30 CGEDMO CC([NH2+]Nc1cc([N+](=O)[O-])ccc1C)=C1CC1(F)F ZINC000841622638 618583007 /nfs/dbraw/zinc/58/30/07/618583007.db2.gz ZNWQSAKVUCUCOU-JTQLQIEISA-N 1 1 269.251 3.346 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1nnc(-c2cccc(F)c2)o1 ZINC000934469849 618627014 /nfs/dbraw/zinc/62/70/14/618627014.db2.gz ZUDCDNKGNPHJQL-CYBMUJFWSA-N 1 1 273.311 3.026 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1nnc(-c2cccc(F)c2)o1 ZINC000934469849 618627016 /nfs/dbraw/zinc/62/70/16/618627016.db2.gz ZUDCDNKGNPHJQL-CYBMUJFWSA-N 1 1 273.311 3.026 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CCC1)c1cnn(CC2CCC2)c1 ZINC000934560501 618647180 /nfs/dbraw/zinc/64/71/80/618647180.db2.gz DIFVDKOKLHOBGY-ZDUSSCGKSA-N 1 1 272.396 3.028 20 30 CGEDMO C#CC[N@H+](CC(=O)N(C)[C@H](C)c1ccccc1)C1CCCC1 ZINC000155911868 618707012 /nfs/dbraw/zinc/70/70/12/618707012.db2.gz PLSTUNWQOPVQPM-MRXNPFEDSA-N 1 1 298.430 3.084 20 30 CGEDMO C=C(Br)C[NH+]1CCC(OCC(C)C)CC1 ZINC000052442147 618717426 /nfs/dbraw/zinc/71/74/26/618717426.db2.gz IEAJSZSNOVEXLO-UHFFFAOYSA-N 1 1 276.218 3.032 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CCCCCC1 ZINC001018002185 618892262 /nfs/dbraw/zinc/89/22/62/618892262.db2.gz ZLNIZKIJKNDADH-CALCHBBNSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CCCCCC1 ZINC001018002185 618892263 /nfs/dbraw/zinc/89/22/63/618892263.db2.gz ZLNIZKIJKNDADH-CALCHBBNSA-N 1 1 290.451 3.208 20 30 CGEDMO Cc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc(Cl)n1 ZINC000852319648 618957671 /nfs/dbraw/zinc/95/76/71/618957671.db2.gz AABAOYAEWQOZQQ-LBPRGKRZSA-N 1 1 263.772 3.169 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)cc(Cl)n1 ZINC000852319648 618957673 /nfs/dbraw/zinc/95/76/73/618957673.db2.gz AABAOYAEWQOZQQ-LBPRGKRZSA-N 1 1 263.772 3.169 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1cnnn1-c1ccccc1 ZINC000926873464 618959995 /nfs/dbraw/zinc/95/99/95/618959995.db2.gz GDPPZHXFXKOBMH-CQSZACIVSA-N 1 1 295.390 3.002 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cl)s2)C1 ZINC001009419206 619175380 /nfs/dbraw/zinc/17/53/80/619175380.db2.gz RAISUEYEEVLDKM-NSHDSACASA-N 1 1 298.839 3.172 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C(C)C)s2)C1 ZINC001009670051 619184568 /nfs/dbraw/zinc/18/45/68/619184568.db2.gz VGNKWYRHTOOITJ-CYBMUJFWSA-N 1 1 292.448 3.252 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C(C)C)s2)C1 ZINC001009670051 619184569 /nfs/dbraw/zinc/18/45/69/619184569.db2.gz VGNKWYRHTOOITJ-CYBMUJFWSA-N 1 1 292.448 3.252 20 30 CGEDMO C[C@H](C[N@@H+](C)Cc1csc(C#N)c1)c1nccs1 ZINC000893534734 619207694 /nfs/dbraw/zinc/20/76/94/619207694.db2.gz DYMOUQPBIARXFF-SNVBAGLBSA-N 1 1 277.418 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001006745225 619214258 /nfs/dbraw/zinc/21/42/58/619214258.db2.gz LTSCIBWKFZIAHR-LBPRGKRZSA-N 1 1 296.798 3.093 20 30 CGEDMO C=C1CCC(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)N)CC1 ZINC000925836346 619287561 /nfs/dbraw/zinc/28/75/61/619287561.db2.gz ZRYLRONJPBWWCK-YJBOKZPZSA-N 1 1 272.436 3.281 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)c(OC)c1F)C(C)C ZINC000893953018 619339896 /nfs/dbraw/zinc/33/98/96/619339896.db2.gz PNYXHELQNKIIDO-UHFFFAOYSA-N 1 1 267.344 3.239 20 30 CGEDMO Cc1coc(C[N@H+]2CCCN(c3ccccc3C#N)CC2)c1 ZINC000893960338 619341565 /nfs/dbraw/zinc/34/15/65/619341565.db2.gz SYPMUJVOYPKDIV-UHFFFAOYSA-N 1 1 295.386 3.172 20 30 CGEDMO CC1(C)CC[N@@H+](Cc2csc(C#N)c2)CCS1 ZINC000894111939 619378344 /nfs/dbraw/zinc/37/83/44/619378344.db2.gz NJPZSULSKRKNJV-UHFFFAOYSA-N 1 1 266.435 3.337 20 30 CGEDMO COc1cccc(N[NH+]=C(C)c2cc(F)c(N)c(F)c2)c1 ZINC000814776940 619423084 /nfs/dbraw/zinc/42/30/84/619423084.db2.gz IPUSQIVFGDUUSO-UHFFFAOYSA-N 1 1 291.301 3.392 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@H](CCC(=O)OC)C1 ZINC000880042459 619528455 /nfs/dbraw/zinc/52/84/55/619528455.db2.gz ARVDARNRZBINMO-CQSZACIVSA-N 1 1 253.386 3.008 20 30 CGEDMO C=CC[C@H]([NH2+][C@@H](C)c1cn(C(C)C)nn1)c1ccncc1 ZINC000925075509 619568357 /nfs/dbraw/zinc/56/83/57/619568357.db2.gz OZKVKUBHXVOFHJ-ZFWWWQNUSA-N 1 1 285.395 3.222 20 30 CGEDMO C[C@@H](C[N@@H+](C)Cc1csc(C#N)c1)C(=O)OC(C)(C)C ZINC000894867685 619660006 /nfs/dbraw/zinc/66/00/06/619660006.db2.gz VMFFAMDILDRRRK-NSHDSACASA-N 1 1 294.420 3.029 20 30 CGEDMO C[C@@H](O[NH+]=C(N)C1CCCCCC1)c1nc(C2CC2)no1 ZINC000179005311 619734631 /nfs/dbraw/zinc/73/46/31/619734631.db2.gz YTQMWDKCDQTXPI-SNVBAGLBSA-N 1 1 292.383 3.267 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](C/C=C/c2cccc(F)c2)C1 ZINC000895229170 619786127 /nfs/dbraw/zinc/78/61/27/619786127.db2.gz SLCOIVUIEYNSOZ-FIMWJMCYSA-N 1 1 258.340 3.465 20 30 CGEDMO COC(=O)c1cc(C[NH2+]CC2(C#N)CCCCC2)cs1 ZINC000895278866 619794413 /nfs/dbraw/zinc/79/44/13/619794413.db2.gz DWBSPDSTJJJGKG-UHFFFAOYSA-N 1 1 292.404 3.098 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000895337977 619807455 /nfs/dbraw/zinc/80/74/55/619807455.db2.gz MZGHNXXLSXLMMI-CYBMUJFWSA-N 1 1 291.391 3.198 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895846611 619896453 /nfs/dbraw/zinc/89/64/53/619896453.db2.gz REGLVYVUOUPHIS-SJLPKXTDSA-N 1 1 287.403 3.252 20 30 CGEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)CC2CCCC2)CC1 ZINC000985229785 620140810 /nfs/dbraw/zinc/14/08/10/620140810.db2.gz YBGOPEFWLVBUGP-UHFFFAOYSA-N 1 1 298.858 3.242 20 30 CGEDMO CC(C)(C)[N@H+]1CC[C@H]1C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000897154122 620152253 /nfs/dbraw/zinc/15/22/53/620152253.db2.gz MAFNWZUDMHSCOT-HOTGVXAUSA-N 1 1 299.418 3.020 20 30 CGEDMO CCCc1ccc(C(=O)/C=C\c2c[nH+]c(N(C)C)n2C)cc1 ZINC000840715897 620164487 /nfs/dbraw/zinc/16/44/87/620164487.db2.gz SMZPFKUQFWSGFQ-QXMHVHEDSA-N 1 1 297.402 3.335 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)C2CCCCCCC2)CC1 ZINC000985534006 620206581 /nfs/dbraw/zinc/20/65/81/620206581.db2.gz YSVVJHGFRIPEHW-UHFFFAOYSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)C[C@H]2CC[C@@H](C)C2)CC1 ZINC000985584229 620215883 /nfs/dbraw/zinc/21/58/83/620215883.db2.gz GPHYUAMNVZSHKC-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCC2(C)C)CC1 ZINC000985591915 620217700 /nfs/dbraw/zinc/21/77/00/620217700.db2.gz VWMGRUBIONFHLT-AWEZNQCLSA-N 1 1 298.858 3.098 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)c2occc2C(C)C)CC1 ZINC000985596049 620219351 /nfs/dbraw/zinc/21/93/51/620219351.db2.gz OTDQXYKKVMCHRH-UHFFFAOYSA-N 1 1 290.407 3.125 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)c2cc(C)ccc2C)CC1 ZINC000985769983 620237738 /nfs/dbraw/zinc/23/77/38/620237738.db2.gz AFEJYQSVJZKQSP-UHFFFAOYSA-N 1 1 286.419 3.026 20 30 CGEDMO C=CCCCCNC(=O)[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000897419039 620297681 /nfs/dbraw/zinc/29/76/81/620297681.db2.gz ULIYKPYUIIEGPD-IRXDYDNUSA-N 1 1 286.419 3.152 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000053096017 620330985 /nfs/dbraw/zinc/33/09/85/620330985.db2.gz CAJLJRKVOXKKAM-ZDUSSCGKSA-N 1 1 279.767 3.347 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000053096017 620330989 /nfs/dbraw/zinc/33/09/89/620330989.db2.gz CAJLJRKVOXKKAM-ZDUSSCGKSA-N 1 1 279.767 3.347 20 30 CGEDMO CC(=O)Nc1ccc(C[N@@H+](C)Cc2cc(C#N)cs2)cc1 ZINC000897626462 620412386 /nfs/dbraw/zinc/41/23/86/620412386.db2.gz ZXBCUOFCECPQIA-UHFFFAOYSA-N 1 1 299.399 3.210 20 30 CGEDMO C=C(C)c1cccc(NCc2c[nH+]c(N(C)C)n2C)c1 ZINC000898311256 620510840 /nfs/dbraw/zinc/51/08/40/620510840.db2.gz QPFNTPSIMSUEJC-UHFFFAOYSA-N 1 1 270.380 3.131 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000929162115 620517815 /nfs/dbraw/zinc/51/78/15/620517815.db2.gz HRBDCMLBPZFLRH-UONOGXRCSA-N 1 1 298.308 3.100 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)c2ccc(C)c(C)c2)CC1 ZINC000989598445 620518391 /nfs/dbraw/zinc/51/83/91/620518391.db2.gz XEKVZKQZYIKACO-UHFFFAOYSA-N 1 1 286.419 3.027 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)C3CCCCC3)CCC[C@H]12 ZINC000989919149 620532087 /nfs/dbraw/zinc/53/20/87/620532087.db2.gz LBRDHZDSEJBHHH-FUHWJXTLSA-N 1 1 290.451 3.256 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)C(C)=C3CCCC3)CCC[C@@H]12 ZINC000990194262 620538204 /nfs/dbraw/zinc/53/82/04/620538204.db2.gz ROQAFSPRAFZMJY-AEFFLSMTSA-N 1 1 288.435 3.176 20 30 CGEDMO CC(=[NH+]N[C@H](C)c1ccc(C(C)C)cc1)c1c[nH]c(N)n1 ZINC000901170395 620839776 /nfs/dbraw/zinc/83/97/76/620839776.db2.gz MGTVMXAOPKKKLU-LLVKDONJSA-N 1 1 285.395 3.190 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000801913524 621296391 /nfs/dbraw/zinc/29/63/91/621296391.db2.gz WHJXQHNNKKTOAH-LBPRGKRZSA-N 1 1 278.783 3.233 20 30 CGEDMO CC[C@@H](NCCC[N@H+](C)C(C)C)c1cccc(C#N)c1 ZINC000902735580 621418646 /nfs/dbraw/zinc/41/86/46/621418646.db2.gz GGVHYYDVSBMTHZ-QGZVFWFLSA-N 1 1 273.424 3.329 20 30 CGEDMO CC[C@@H](NCCC[N@@H+](C)C(C)C)c1cccc(C#N)c1 ZINC000902735580 621418653 /nfs/dbraw/zinc/41/86/53/621418653.db2.gz GGVHYYDVSBMTHZ-QGZVFWFLSA-N 1 1 273.424 3.329 20 30 CGEDMO CC[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(C#N)c1 ZINC000902753580 621425105 /nfs/dbraw/zinc/42/51/05/621425105.db2.gz QLICAXSXARVVTG-BZSNNMDCSA-N 1 1 283.419 3.226 20 30 CGEDMO CC[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(C#N)c1 ZINC000902753580 621425109 /nfs/dbraw/zinc/42/51/09/621425109.db2.gz QLICAXSXARVVTG-BZSNNMDCSA-N 1 1 283.419 3.226 20 30 CGEDMO C=CCC[C@H]([NH2+]C[C@@H]1CCCN(C)C1)[C@]1(C)CCCCO1 ZINC000902795673 621450923 /nfs/dbraw/zinc/45/09/23/621450923.db2.gz FONBANJQWHASIK-BZSNNMDCSA-N 1 1 294.483 3.212 20 30 CGEDMO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1cc(C#N)ccn1 ZINC000902898140 621480777 /nfs/dbraw/zinc/48/07/77/621480777.db2.gz YCDCTFONCVJQFW-VXGBXAGGSA-N 1 1 296.330 3.273 20 30 CGEDMO Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1cc(C#N)ccn1)CO2 ZINC000902879597 621481669 /nfs/dbraw/zinc/48/16/69/621481669.db2.gz WJEJBHSIUHUUKE-WBMJQRKESA-N 1 1 279.343 3.046 20 30 CGEDMO CC[C@H]([NH2+]Cc1ncccc1F)c1cccc(C#N)c1 ZINC000902886081 621483703 /nfs/dbraw/zinc/48/37/03/621483703.db2.gz JLZDQRIQGDDMNT-HNNXBMFYSA-N 1 1 269.323 3.333 20 30 CGEDMO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cc(C#N)ccn1 ZINC000902919084 621491498 /nfs/dbraw/zinc/49/14/98/621491498.db2.gz BNOSFANQKCHYHG-CYBMUJFWSA-N 1 1 288.354 3.165 20 30 CGEDMO COc1ccc(C2([NH2+][C@@H](C)c3cc(C#N)ccn3)CC2)cc1 ZINC000902912559 621495413 /nfs/dbraw/zinc/49/54/13/621495413.db2.gz QGQAFJNDAIEGFA-ZDUSSCGKSA-N 1 1 293.370 3.302 20 30 CGEDMO C[C@H]([NH2+][C@H](c1ccccn1)C1CC1)c1cc(C#N)ccn1 ZINC000903335701 621692276 /nfs/dbraw/zinc/69/22/76/621692276.db2.gz SBVRMPJDAFFCLD-SJCJKPOMSA-N 1 1 278.359 3.150 20 30 CGEDMO C[N@@H+](CCCCC1(C#N)CCC1)C1(CN)CCCCC1 ZINC000903782643 621806889 /nfs/dbraw/zinc/80/68/89/621806889.db2.gz PQENNHCMVQCZEI-UHFFFAOYSA-N 1 1 277.456 3.444 20 30 CGEDMO C=CCCC[N@@H+](CC)C[C@@H](CN)c1ccc(OC)cc1 ZINC000903850711 621821083 /nfs/dbraw/zinc/82/10/83/621821083.db2.gz XQMDULOACUSMDS-MRXNPFEDSA-N 1 1 276.424 3.026 20 30 CGEDMO C=CCCC[N@H+](CC)C[C@@H](CN)c1ccc(OC)cc1 ZINC000903850711 621821084 /nfs/dbraw/zinc/82/10/84/621821084.db2.gz XQMDULOACUSMDS-MRXNPFEDSA-N 1 1 276.424 3.026 20 30 CGEDMO C=CCCc1noc([C@H]([NH3+])Cc2cc3ccccc3o2)n1 ZINC000904123851 621873974 /nfs/dbraw/zinc/87/39/74/621873974.db2.gz RQEJONROJNNOJE-CYBMUJFWSA-N 1 1 283.331 3.177 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2cccc(C)c2)no1 ZINC000904522167 621929132 /nfs/dbraw/zinc/92/91/32/621929132.db2.gz UCEDQVCMRKQIMJ-CYBMUJFWSA-N 1 1 257.337 3.401 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(CCCSCC)no1 ZINC000904701351 621959963 /nfs/dbraw/zinc/95/99/63/621959963.db2.gz QXXSOXXSIIPHJJ-NSHDSACASA-N 1 1 269.414 3.111 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccc(C)c(C)n2)no1 ZINC000904736722 621968499 /nfs/dbraw/zinc/96/84/99/621968499.db2.gz SMCMUHFOKJDBIO-LBPRGKRZSA-N 1 1 272.352 3.105 20 30 CGEDMO C[N@H+]1CCCC[C@H]1CCn1ccc(-c2ccc(C#N)cc2)n1 ZINC000906500826 622244459 /nfs/dbraw/zinc/24/44/59/622244459.db2.gz OCVFGUKRUWYTCE-KRWDZBQOSA-N 1 1 294.402 3.296 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)[C@@H](C)C2CC2)cc1 ZINC000158051125 622994342 /nfs/dbraw/zinc/99/43/42/622994342.db2.gz PMLXNSBKCHARLT-STQMWFEESA-N 1 1 258.365 3.208 20 30 CGEDMO Cc1sc(C[NH2+]C[C@@H](C)C#N)cc1Br ZINC000227827565 623031830 /nfs/dbraw/zinc/03/18/30/623031830.db2.gz CPMNDOPCBMJEQI-ZETCQYMHSA-N 1 1 273.199 3.068 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@H+](CC)Cc2ccoc2)cc1 ZINC000929477842 623421244 /nfs/dbraw/zinc/42/12/44/623421244.db2.gz IFBXWWAFSPWYIG-UHFFFAOYSA-N 1 1 296.370 3.112 20 30 CGEDMO C[C@H]1C(=NOCC(F)F)CCC[N@@H+]1Cc1ccccc1 ZINC000814904059 623429295 /nfs/dbraw/zinc/42/92/95/623429295.db2.gz PGFBRKNSALDYOE-LBPRGKRZSA-N 1 1 282.334 3.309 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)c3ccc(C)cc3)CCC[C@@H]12 ZINC000992420056 623551375 /nfs/dbraw/zinc/55/13/75/623551375.db2.gz HFCHSUPJNIVDNJ-MJGOQNOKSA-N 1 1 298.430 3.298 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[C@H](C)CC3)CCC[C@H]12 ZINC000992423979 623555071 /nfs/dbraw/zinc/55/50/71/623555071.db2.gz ONBDKFYOSBPFIH-OVWQWFNUSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)CC2CCCC2)[C@H]1C ZINC000992990257 623775079 /nfs/dbraw/zinc/77/50/79/623775079.db2.gz ZRFRVQMTVJMZSE-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2oc(C)cc2C)[C@@H]1C ZINC000993143030 623866582 /nfs/dbraw/zinc/86/65/82/623866582.db2.gz GILSOMFGQNFBEF-LSDHHAIUSA-N 1 1 290.407 3.055 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCS[C@@H]3COCC[C@@H]32)CCC1 ZINC000929856267 623881190 /nfs/dbraw/zinc/88/11/90/623881190.db2.gz VCEPIQQVVHDCJJ-LSDHHAIUSA-N 1 1 294.464 3.057 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C2C(C)(C)C2(C)C)[C@@H]1C ZINC000993185180 623907243 /nfs/dbraw/zinc/90/72/43/623907243.db2.gz NXPCSMAAKGYHQY-UONOGXRCSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C2(F)CCCC2)[C@@H]1C ZINC000993504483 624051512 /nfs/dbraw/zinc/05/15/12/624051512.db2.gz RDQGGODDHBGZQV-LSDHHAIUSA-N 1 1 296.430 3.204 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)sc2C)[C@H]1C ZINC000993562120 624054261 /nfs/dbraw/zinc/05/42/61/624054261.db2.gz BXMKBSMZLVHREF-DOMZBBRYSA-N 1 1 292.448 3.134 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C2(C)CCC2)[C@H]1C ZINC000993679549 624056862 /nfs/dbraw/zinc/05/68/62/624056862.db2.gz XQCVLOUAFGWLSJ-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2occc2C(C)C)[C@@H]1C ZINC000993736322 624060522 /nfs/dbraw/zinc/06/05/22/624060522.db2.gz AZLHBEPUCSIBIC-DZGCQCFKSA-N 1 1 290.407 3.172 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](C/C=C/Cl)[C@@H]2C)C1 ZINC000993795487 624064380 /nfs/dbraw/zinc/06/43/80/624064380.db2.gz XTGXDEZDOJPIBP-VTGPQGOBSA-N 1 1 296.842 3.064 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](C/C=C/Cl)[C@@H]2C)C1 ZINC000993795487 624064389 /nfs/dbraw/zinc/06/43/89/624064389.db2.gz XTGXDEZDOJPIBP-VTGPQGOBSA-N 1 1 296.842 3.064 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)cccc2C)[C@H]1C ZINC000993848677 624065514 /nfs/dbraw/zinc/06/55/14/624065514.db2.gz SFETWGFSOMPFIL-HZPDHXFCSA-N 1 1 286.419 3.072 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2Cl)[C@H]1C ZINC000994275202 624196874 /nfs/dbraw/zinc/19/68/74/624196874.db2.gz HWKSOHHVJWCBDS-IUODEOHRSA-N 1 1 292.810 3.109 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(Cl)c2)[C@H]1C ZINC000994287308 624202804 /nfs/dbraw/zinc/20/28/04/624202804.db2.gz OOXICQXCAQXTGZ-DOMZBBRYSA-N 1 1 292.810 3.109 20 30 CGEDMO C#CC[N@@H+](Cc1cnc(-c2ccccc2)[nH]1)C1CCCC1 ZINC000180103143 624715235 /nfs/dbraw/zinc/71/52/35/624715235.db2.gz DMYGBNJUGCXLRX-UHFFFAOYSA-N 1 1 279.387 3.455 20 30 CGEDMO C#CC[N@H+](Cc1c[nH]c(-c2ccccc2)n1)C1CCCC1 ZINC000180103143 624715238 /nfs/dbraw/zinc/71/52/38/624715238.db2.gz DMYGBNJUGCXLRX-UHFFFAOYSA-N 1 1 279.387 3.455 20 30 CGEDMO C#CC[N@@H+](Cc1c[nH]c(-c2ccccc2)n1)C1CCCC1 ZINC000180103143 624715241 /nfs/dbraw/zinc/71/52/41/624715241.db2.gz DMYGBNJUGCXLRX-UHFFFAOYSA-N 1 1 279.387 3.455 20 30 CGEDMO C=C(Cl)CN1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000170901982 624798229 /nfs/dbraw/zinc/79/82/29/624798229.db2.gz WQBVBGKKQDAIGV-AWEZNQCLSA-N 1 1 294.826 3.126 20 30 CGEDMO C=CCCC[C@@H](C)OC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000835268163 634421300 /nfs/dbraw/zinc/42/13/00/634421300.db2.gz GJTSNOGVVHMCLA-CYBMUJFWSA-N 1 1 285.347 3.169 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)c2ccccc2)CC1 ZINC000997929839 625774147 /nfs/dbraw/zinc/77/41/47/625774147.db2.gz SQEWBHGSHLDURG-KRWDZBQOSA-N 1 1 286.419 3.189 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC2(C)C)CC1 ZINC000997976398 625779128 /nfs/dbraw/zinc/77/91/28/625779128.db2.gz MTYVRPYEUQLZIT-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[C@H](C)C2)CC1 ZINC001001103830 625890013 /nfs/dbraw/zinc/89/00/13/625890013.db2.gz BZJSHPGTCBOLFV-RDJZCZTQSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@H]2C[C@]2(C)CC)CC1 ZINC001001322839 625894818 /nfs/dbraw/zinc/89/48/18/625894818.db2.gz ACFUUQDDUBTBFG-AEFFLSMTSA-N 1 1 290.451 3.137 20 30 CGEDMO Cn1nc2c(c1C[NH2+][C@@H](CCC#N)c1ccccc1)CCC2 ZINC000921922036 625931904 /nfs/dbraw/zinc/93/19/04/625931904.db2.gz FHYIODGMVGWTOC-INIZCTEOSA-N 1 1 294.402 3.043 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000922164615 625977460 /nfs/dbraw/zinc/97/74/60/625977460.db2.gz NFWAJYFNJXRKBQ-XJKSGUPXSA-N 1 1 280.375 3.167 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CCC[C@H]2CC)CC1 ZINC001003572824 625983568 /nfs/dbraw/zinc/98/35/68/625983568.db2.gz JZAKBKSQZWEMNL-HIFRSBDPSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2C[C@]2(C)C(C)C)CC1 ZINC001003882923 625995213 /nfs/dbraw/zinc/99/52/13/625995213.db2.gz YRBPUJLMVLUUJM-GOEBONIOSA-N 1 1 298.858 3.002 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC(C)(C)C)CC1 ZINC001004340748 626039616 /nfs/dbraw/zinc/03/96/16/626039616.db2.gz UBPGMUOUWRMTGF-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO CCOC1CC[NH+](Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000929327528 626072724 /nfs/dbraw/zinc/07/27/24/626072724.db2.gz JQCBUJDDCPDXMJ-UHFFFAOYSA-N 1 1 278.783 3.213 20 30 CGEDMO Cc1cc(C[N@H+](C)Cc2ccccc2O)ccc1C#N ZINC000774839068 626180441 /nfs/dbraw/zinc/18/04/41/626180441.db2.gz AGMAFRADQZAMJQ-UHFFFAOYSA-N 1 1 266.344 3.204 20 30 CGEDMO C=CC[C@H]1[N@H+](CCC(=O)N2CCCC2)CCCC1(C)C ZINC000838971692 626288514 /nfs/dbraw/zinc/28/85/14/626288514.db2.gz QVAPSEVGBZWIHP-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C#CCOc1ccccc1C[NH+]1CC(C)(CC(F)(F)F)C1 ZINC000839142132 626323189 /nfs/dbraw/zinc/32/31/89/626323189.db2.gz CKWFQMLTVNFLQA-UHFFFAOYSA-N 1 1 297.320 3.473 20 30 CGEDMO C#CC[N@@H+](CCc1ccccn1)[C@@H]1CCc2ccccc21 ZINC000103467253 626354381 /nfs/dbraw/zinc/35/43/81/626354381.db2.gz ZWGVBZIKYJRWGW-LJQANCHMSA-N 1 1 276.383 3.247 20 30 CGEDMO C=CC[N@H+](C[C@@H](O)COc1ccc(SC)cc1)C(C)C ZINC000839467728 626354419 /nfs/dbraw/zinc/35/44/19/626354419.db2.gz YVNXOHLUHARIOM-CQSZACIVSA-N 1 1 295.448 3.045 20 30 CGEDMO Brc1cnn([NH+]=C2CCC[C@@H](C3CC3)C2)c1 ZINC000752748840 626437647 /nfs/dbraw/zinc/43/76/47/626437647.db2.gz ZXJHHBOAPOLTLH-SNVBAGLBSA-N 1 1 282.185 3.450 20 30 CGEDMO COc1cccc(N[NH+]=Cc2ccc3c(c2)CCN3C)c1 ZINC000752721870 626435941 /nfs/dbraw/zinc/43/59/41/626435941.db2.gz ZEALWWRLSCEWNI-UHFFFAOYSA-N 1 1 281.359 3.134 20 30 CGEDMO C=CC[N@@H+](Cc1cc(-n2ccnc2)cs1)C(C)C ZINC000753536903 626454313 /nfs/dbraw/zinc/45/43/13/626454313.db2.gz PYDKAQAAHPWTQC-UHFFFAOYSA-N 1 1 261.394 3.330 20 30 CGEDMO C#CC[NH2+][C@@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1 ZINC000753915813 626468916 /nfs/dbraw/zinc/46/89/16/626468916.db2.gz XGAWHUHMASJERX-INIZCTEOSA-N 1 1 292.373 3.103 20 30 CGEDMO C[C@H]1CC(N=Nc2cccc(C(F)(F)F)n2)C[N@H+]1C1CC1 ZINC000753959643 626470066 /nfs/dbraw/zinc/47/00/66/626470066.db2.gz MORXQYCBVVBYJC-VIFPVBQESA-N 1 1 298.312 3.125 20 30 CGEDMO CC(C)[N@@H+]1CC(N=Nc2cccc3cnccc32)[C@H](C)C1 ZINC000754258410 626565089 /nfs/dbraw/zinc/56/50/89/626565089.db2.gz IFKUBLJKWALTPK-CYBMUJFWSA-N 1 1 282.391 3.363 20 30 CGEDMO C#C[C@@H](CC)NC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000754393721 626570915 /nfs/dbraw/zinc/57/09/15/626570915.db2.gz GTFMQRAONSYHIP-KRWDZBQOSA-N 1 1 286.419 3.059 20 30 CGEDMO C=CCc1cc(C[N@H+]2C[C@@H](C)C[C@@H]2C)c(O)c(OC)c1 ZINC000754740794 626585841 /nfs/dbraw/zinc/58/58/41/626585841.db2.gz HPBZJJWFVIMEOX-STQMWFEESA-N 1 1 275.392 3.360 20 30 CGEDMO Cc1cccc(OCC[N@H+](CCC#N)CC(C)C)c1 ZINC000755672441 626636319 /nfs/dbraw/zinc/63/63/19/626636319.db2.gz ZVDSDQUFCAMRCI-UHFFFAOYSA-N 1 1 260.381 3.246 20 30 CGEDMO Cc1cccc(OCC[N@@H+](CCC#N)CC(C)C)c1 ZINC000755672441 626636323 /nfs/dbraw/zinc/63/63/23/626636323.db2.gz ZVDSDQUFCAMRCI-UHFFFAOYSA-N 1 1 260.381 3.246 20 30 CGEDMO C#Cc1cccc(NC(=O)c2sccc2C[NH+](C)C)c1 ZINC000756040475 626671698 /nfs/dbraw/zinc/67/16/98/626671698.db2.gz UDDMMEBLZWBDPC-UHFFFAOYSA-N 1 1 284.384 3.043 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1cc(F)cc(F)c1O ZINC000756418139 626704515 /nfs/dbraw/zinc/70/45/15/626704515.db2.gz PGOPJACXYXJCRD-SNVBAGLBSA-N 1 1 288.297 3.393 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 ZINC000757101528 626754788 /nfs/dbraw/zinc/75/47/88/626754788.db2.gz ICWDCSXEKOPOOX-ZIAGYGMSSA-N 1 1 282.428 3.188 20 30 CGEDMO Cc1ccn(C[NH+]2CCC3(CCCCC3)CC2)c(=O)c1C#N ZINC000758218611 626833711 /nfs/dbraw/zinc/83/37/11/626833711.db2.gz TVKPIXBLILVKCU-UHFFFAOYSA-N 1 1 299.418 3.032 20 30 CGEDMO CC(C)[C@@H](c1ccccc1)[N@@H+](C)Cn1cccc(C#N)c1=O ZINC000758227369 626833860 /nfs/dbraw/zinc/83/38/60/626833860.db2.gz VKECNOVDPMUNRQ-KRWDZBQOSA-N 1 1 295.386 3.007 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000760958834 627005499 /nfs/dbraw/zinc/00/54/99/627005499.db2.gz BUSZRBKEVXBZRH-GFCCVEGCSA-N 1 1 273.804 3.183 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000760958834 627005504 /nfs/dbraw/zinc/00/55/04/627005504.db2.gz BUSZRBKEVXBZRH-GFCCVEGCSA-N 1 1 273.804 3.183 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000760958835 627005856 /nfs/dbraw/zinc/00/58/56/627005856.db2.gz BUSZRBKEVXBZRH-LBPRGKRZSA-N 1 1 273.804 3.183 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000760958835 627005858 /nfs/dbraw/zinc/00/58/58/627005858.db2.gz BUSZRBKEVXBZRH-LBPRGKRZSA-N 1 1 273.804 3.183 20 30 CGEDMO C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)[C@H]2CCCC[C@H]12 ZINC000763233092 627145911 /nfs/dbraw/zinc/14/59/11/627145911.db2.gz YCRYEPBBZVGGSI-OAOYMFHYSA-N 1 1 298.430 3.492 20 30 CGEDMO C#CC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000763950158 627186554 /nfs/dbraw/zinc/18/65/54/627186554.db2.gz KRUIIOYEZUBOCN-UHFFFAOYSA-N 1 1 277.289 3.155 20 30 CGEDMO C#CC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000763950158 627186556 /nfs/dbraw/zinc/18/65/56/627186556.db2.gz KRUIIOYEZUBOCN-UHFFFAOYSA-N 1 1 277.289 3.155 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(Br)cc1OC)C1CC1 ZINC000764676595 627217593 /nfs/dbraw/zinc/21/75/93/627217593.db2.gz LPIPBFDDOBNBBM-UHFFFAOYSA-N 1 1 294.192 3.055 20 30 CGEDMO C#CC[N@H+](Cc1ccc(Br)cc1OC)C1CC1 ZINC000764676595 627217596 /nfs/dbraw/zinc/21/75/96/627217596.db2.gz LPIPBFDDOBNBBM-UHFFFAOYSA-N 1 1 294.192 3.055 20 30 CGEDMO C#CC[N@H+](Cc1cc2cc(OC)ccc2o1)C1CC1 ZINC000764683088 627218315 /nfs/dbraw/zinc/21/83/15/627218315.db2.gz ORMHIGGFFAUTFQ-UHFFFAOYSA-N 1 1 255.317 3.039 20 30 CGEDMO C#CCOc1ccc([C@@H](C)NCCC[N@H+](C)C(C)C)cc1 ZINC000764806609 627225621 /nfs/dbraw/zinc/22/56/21/627225621.db2.gz OKOOZCXIDPBDKU-MRXNPFEDSA-N 1 1 288.435 3.080 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000765028433 627237087 /nfs/dbraw/zinc/23/70/87/627237087.db2.gz AXECAVHFRNWCNZ-KRWDZBQOSA-N 1 1 294.439 3.286 20 30 CGEDMO FC(F)(F)c1ccc(CNN=C2CC[N@H+]3CCC[C@H]23)cc1 ZINC000765573991 627260638 /nfs/dbraw/zinc/26/06/38/627260638.db2.gz ZRZFUYMVOXWKDY-CQSZACIVSA-N 1 1 297.324 3.019 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc2nsnc21 ZINC000766007312 627286004 /nfs/dbraw/zinc/28/60/04/627286004.db2.gz BULRPJSJRXNXBR-UHFFFAOYSA-N 1 1 294.383 3.195 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@@H](C)[C@@H]1CNC(=O)OC(C)(C)C ZINC000766904111 627369023 /nfs/dbraw/zinc/36/90/23/627369023.db2.gz WPWDAKPOGRMCJU-CABCVRRESA-N 1 1 294.439 3.025 20 30 CGEDMO C#CCCC[N@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000766902256 627369639 /nfs/dbraw/zinc/36/96/39/627369639.db2.gz ZGVJWSFNDRZXQK-UHFFFAOYSA-N 1 1 299.393 3.494 20 30 CGEDMO C#CCCC[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000766935824 627371702 /nfs/dbraw/zinc/37/17/02/627371702.db2.gz QEZRDQCVKVJHAQ-CYBMUJFWSA-N 1 1 263.768 3.207 20 30 CGEDMO CC/C=C\CC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000767333550 627399095 /nfs/dbraw/zinc/39/90/95/627399095.db2.gz VEFXORNTFZTWDY-LIMHQNJXSA-N 1 1 270.376 3.288 20 30 CGEDMO CC/C=C\CC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000767333550 627399099 /nfs/dbraw/zinc/39/90/99/627399099.db2.gz VEFXORNTFZTWDY-LIMHQNJXSA-N 1 1 270.376 3.288 20 30 CGEDMO Cc1cc(CNc2ccc3c(c2)[nH+]cn3C)ccc1C#N ZINC000767684656 627427915 /nfs/dbraw/zinc/42/79/15/627427915.db2.gz DUXTYJPPALOBHT-UHFFFAOYSA-N 1 1 276.343 3.366 20 30 CGEDMO Cc1ccc(-c2n[nH]cc2C[N@@H+](CCC#N)CC(C)C)o1 ZINC000768155267 627464183 /nfs/dbraw/zinc/46/41/83/627464183.db2.gz XPWDDXBUXOIZQV-UHFFFAOYSA-N 1 1 286.379 3.350 20 30 CGEDMO Cc1ccc(-c2n[nH]cc2C[N@H+](CCC#N)CC(C)C)o1 ZINC000768155267 627464184 /nfs/dbraw/zinc/46/41/84/627464184.db2.gz XPWDDXBUXOIZQV-UHFFFAOYSA-N 1 1 286.379 3.350 20 30 CGEDMO C[C@H]1C[C@H](NCC(C)(C)C#N)C[N@H+](Cc2ccccc2)C1 ZINC000768529503 627484487 /nfs/dbraw/zinc/48/44/87/627484487.db2.gz PNFDSXAYLYHKEJ-RDJZCZTQSA-N 1 1 285.435 3.036 20 30 CGEDMO C[C@H]1C[C@H](NCC(C)(C)C#N)C[N@@H+](Cc2ccccc2)C1 ZINC000768529503 627484490 /nfs/dbraw/zinc/48/44/90/627484490.db2.gz PNFDSXAYLYHKEJ-RDJZCZTQSA-N 1 1 285.435 3.036 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C)no2)cc1 ZINC000768879795 627505992 /nfs/dbraw/zinc/50/59/92/627505992.db2.gz XYUCZOCCJPERIX-KRWDZBQOSA-N 1 1 296.370 3.332 20 30 CGEDMO COc1cccc(O)c1C[N@H+](CCC#N)CCC(C)C ZINC000769335674 627543714 /nfs/dbraw/zinc/54/37/14/627543714.db2.gz QCTSHBKVJIQNGV-UHFFFAOYSA-N 1 1 276.380 3.163 20 30 CGEDMO COc1cccc(O)c1C[N@@H+](CCC#N)CCC(C)C ZINC000769335674 627543715 /nfs/dbraw/zinc/54/37/15/627543715.db2.gz QCTSHBKVJIQNGV-UHFFFAOYSA-N 1 1 276.380 3.163 20 30 CGEDMO C#CCOc1ccccc1C[N@H+](C)[C@H](C)CCSC ZINC000769464264 627555490 /nfs/dbraw/zinc/55/54/90/627555490.db2.gz YFAVGXMVVPVKEN-CQSZACIVSA-N 1 1 277.433 3.272 20 30 CGEDMO C#CC[N@@H+](C[C@H]1CCOc2ccccc21)C1CCCC1 ZINC000769529443 627563000 /nfs/dbraw/zinc/56/30/00/627563000.db2.gz BBDMFPVWWOSEGA-OAHLLOKOSA-N 1 1 269.388 3.431 20 30 CGEDMO CC(=[NH+]O[C@@H]1CCCCO1)c1ccccc1N(C)C ZINC000769586441 627567944 /nfs/dbraw/zinc/56/79/44/627567944.db2.gz UMKUTLLSTWOBEI-OAHLLOKOSA-N 1 1 262.353 3.020 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000769798766 627578851 /nfs/dbraw/zinc/57/88/51/627578851.db2.gz YDTYDTCGCLZWME-HNNXBMFYSA-N 1 1 294.439 3.181 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccccc1OCC(F)(F)F ZINC000769977629 627594219 /nfs/dbraw/zinc/59/42/19/627594219.db2.gz MWPDIROFWGYCJD-NSHDSACASA-N 1 1 271.282 3.081 20 30 CGEDMO C#CC[N@H+](CCCNC(=O)OC(C)(C)C)C1CCCCC1 ZINC000774860318 628041854 /nfs/dbraw/zinc/04/18/54/628041854.db2.gz YTAOCSKAQIRXAJ-UHFFFAOYSA-N 1 1 294.439 3.169 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000775182610 628069521 /nfs/dbraw/zinc/06/95/21/628069521.db2.gz FAECHQBNYIOMQX-OAHLLOKOSA-N 1 1 295.430 3.310 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000775182610 628069523 /nfs/dbraw/zinc/06/95/23/628069523.db2.gz FAECHQBNYIOMQX-OAHLLOKOSA-N 1 1 295.430 3.310 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(OCCCC)c(OC)c1 ZINC000775182611 628069781 /nfs/dbraw/zinc/06/97/81/628069781.db2.gz FBZQNMDJRDLEBC-AWEZNQCLSA-N 1 1 275.392 3.328 20 30 CGEDMO C#C[C@H]([NH2+]Cc1c(Cl)oc2ccccc21)[C@@H]1CCCO1 ZINC000775343279 628084407 /nfs/dbraw/zinc/08/44/07/628084407.db2.gz VTVXWHRFWHGAJO-ZFWWWQNUSA-N 1 1 289.762 3.357 20 30 CGEDMO CC(C)[C@H]1CC[N@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000775765887 628134256 /nfs/dbraw/zinc/13/42/56/628134256.db2.gz UTVKORBULOQHHZ-XJKSGUPXSA-N 1 1 258.365 3.208 20 30 CGEDMO C#CCCC[N@H+]1[C@H](C(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21 ZINC000775839262 628140990 /nfs/dbraw/zinc/14/09/90/628140990.db2.gz VIWOKJKXFFHUFC-JYJNAYRXSA-N 1 1 291.435 3.375 20 30 CGEDMO CCCCCCCCC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000775885609 628146017 /nfs/dbraw/zinc/14/60/17/628146017.db2.gz FUFFNLGCBABVJE-UHFFFAOYSA-N 1 1 266.429 3.115 20 30 CGEDMO CC(C)CNN=C1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000776187054 628177172 /nfs/dbraw/zinc/17/71/72/628177172.db2.gz FLZLXPKHGOPGLL-OAHLLOKOSA-N 1 1 273.424 3.130 20 30 CGEDMO CC(C)CNN=C1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000776187054 628177176 /nfs/dbraw/zinc/17/71/76/628177176.db2.gz FLZLXPKHGOPGLL-OAHLLOKOSA-N 1 1 273.424 3.130 20 30 CGEDMO C[C@@H](NC[C@H](C)[NH+]1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000776729447 628227920 /nfs/dbraw/zinc/22/79/20/628227920.db2.gz LWEACJBURITMCL-UONOGXRCSA-N 1 1 289.398 3.222 20 30 CGEDMO CC(C)[C@H](Cc1ccccc1)N=NC1CC[N@H+]2CCC[C@H]12 ZINC000777449762 628271931 /nfs/dbraw/zinc/27/19/31/628271931.db2.gz YUZXKXSNNJWKQY-ZWKOTPCHSA-N 1 1 285.435 3.067 20 30 CGEDMO C=CC[N@@H+](C)CC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000778167248 628330160 /nfs/dbraw/zinc/33/01/60/628330160.db2.gz DZTMXEWMHZGKAX-UHFFFAOYSA-N 1 1 280.371 3.410 20 30 CGEDMO C=CC[N@H+](C)CC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC000778167248 628330164 /nfs/dbraw/zinc/33/01/64/628330164.db2.gz DZTMXEWMHZGKAX-UHFFFAOYSA-N 1 1 280.371 3.410 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)C[C@@H](O)c1ccc(C)cc1 ZINC000778996000 628382251 /nfs/dbraw/zinc/38/22/51/628382251.db2.gz IWZAZTXDYGWDRK-GOSISDBHSA-N 1 1 285.387 3.352 20 30 CGEDMO C#CC[N@H+](Cc1cc(F)ccc1O)C1CCCCC1 ZINC000779003173 628382805 /nfs/dbraw/zinc/38/28/05/628382805.db2.gz SHPJTAXQEUIKEY-UHFFFAOYSA-N 1 1 261.340 3.299 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC[C@H](OCC3CC3)C2)cc1 ZINC000779188450 628393209 /nfs/dbraw/zinc/39/32/09/628393209.db2.gz ODCUGRSSTSOJSQ-IBGZPJMESA-N 1 1 299.414 3.090 20 30 CGEDMO CSc1ccc(C(C)=NNc2cc[nH+]cc2)cc1F ZINC000779806831 628432827 /nfs/dbraw/zinc/43/28/27/628432827.db2.gz IIXFADWUOUAOIB-UHFFFAOYSA-N 1 1 275.352 3.201 20 30 CGEDMO C[C@@H]1CCc2c(F)cccc2C1=NNc1cc[nH+]cc1 ZINC000779806574 628433018 /nfs/dbraw/zinc/43/30/18/628433018.db2.gz BBJGTZIYJOYCQT-LLVKDONJSA-N 1 1 269.323 3.041 20 30 CGEDMO C(=NNc1cc[nH+]cc1)c1ccc(Oc2ccccc2)o1 ZINC000779808022 628433384 /nfs/dbraw/zinc/43/33/84/628433384.db2.gz AWIJVNZCOZACMO-UHFFFAOYSA-N 1 1 279.299 3.335 20 30 CGEDMO C=CCOc1ccc(C=NNc2cc[nH+]cc2)cc1Cl ZINC000779809631 628433944 /nfs/dbraw/zinc/43/39/44/628433944.db2.gz QSKDFWUGENHSHS-UHFFFAOYSA-N 1 1 287.750 3.168 20 30 CGEDMO Clc1ccc2cccnc2c1C=NNc1cc[nH+]cc1 ZINC000781124939 628538024 /nfs/dbraw/zinc/53/80/24/628538024.db2.gz OXPOUBARXOPQHE-UHFFFAOYSA-N 1 1 282.734 3.151 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2ccc(Cl)cc2F)nc1 ZINC000782535534 628653562 /nfs/dbraw/zinc/65/35/62/628653562.db2.gz JRUPWCFMTBFPEG-UHFFFAOYSA-N 1 1 275.714 3.036 20 30 CGEDMO C#CC[N@H+](C[C@@H](O)Cc1cccc(Cl)c1)C1CCCC1 ZINC000805742594 628686021 /nfs/dbraw/zinc/68/60/21/628686021.db2.gz OCLWMOQZPNKKAU-KRWDZBQOSA-N 1 1 291.822 3.121 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@H]2CCSc3ccc(F)cc32)nc1 ZINC000783299755 628700750 /nfs/dbraw/zinc/70/07/50/628700750.db2.gz FMUFVHMVARQKCU-HNNXBMFYSA-N 1 1 299.374 3.419 20 30 CGEDMO Cc1cc(C(F)(F)F)ccc1C=NNc1cc[nH+]cc1 ZINC000785462999 628863745 /nfs/dbraw/zinc/86/37/45/628863745.db2.gz ZBUPRFMRIMEXFG-UHFFFAOYSA-N 1 1 279.265 3.277 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)CCCc2ccccc2C)n1 ZINC000789328602 629124631 /nfs/dbraw/zinc/12/46/31/629124631.db2.gz COXWILKLDUKCFT-UHFFFAOYSA-N 1 1 295.430 3.279 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)CCCC(C)(C)C)n1 ZINC000789328890 629124708 /nfs/dbraw/zinc/12/47/08/629124708.db2.gz BCNDTLCKISIENV-UHFFFAOYSA-N 1 1 261.413 3.165 20 30 CGEDMO CCCCCCCCCC[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000789354448 629127028 /nfs/dbraw/zinc/12/70/28/629127028.db2.gz IWIXBELHEJCPEA-KRWDZBQOSA-N 1 1 280.456 3.339 20 30 CGEDMO CC[C@H](C)NN=C(C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000790182046 629189792 /nfs/dbraw/zinc/18/97/92/629189792.db2.gz HWNOMHGASWURGS-LBPRGKRZSA-N 1 1 270.380 3.293 20 30 CGEDMO Cc1cccnc1N=NC1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000790193207 629193341 /nfs/dbraw/zinc/19/33/41/629193341.db2.gz YGTRTOAACVPNGY-HNNXBMFYSA-N 1 1 294.402 3.452 20 30 CGEDMO C#C[C@H](CC)OC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000805917878 629194960 /nfs/dbraw/zinc/19/49/60/629194960.db2.gz BNJCISAEUGLFCT-QGZVFWFLSA-N 1 1 287.403 3.486 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000790357394 629207877 /nfs/dbraw/zinc/20/78/77/629207877.db2.gz PBDGGXLAMXCIAB-QZTJIDSGSA-N 1 1 298.430 3.218 20 30 CGEDMO C#CC[N@@H+](Cc1cnc(C)o1)[C@@H]1CCc2ccccc21 ZINC000862211120 629324314 /nfs/dbraw/zinc/32/43/14/629324314.db2.gz CPFRDOWRUTWWQT-QGZVFWFLSA-N 1 1 266.344 3.106 20 30 CGEDMO C#CC[N@H+](Cc1cnc(C)o1)[C@@H]1CCc2ccccc21 ZINC000862211120 629324318 /nfs/dbraw/zinc/32/43/18/629324318.db2.gz CPFRDOWRUTWWQT-QGZVFWFLSA-N 1 1 266.344 3.106 20 30 CGEDMO CCn1ccc(C[N@@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)c1 ZINC000792182279 629345870 /nfs/dbraw/zinc/34/58/70/629345870.db2.gz ABZVUBFDPNZALL-OAHLLOKOSA-N 1 1 297.402 3.431 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cc2cccc(OC)c2o1 ZINC000792192864 629347253 /nfs/dbraw/zinc/34/72/53/629347253.db2.gz OOIVNQGLFQVWAC-UHFFFAOYSA-N 1 1 275.348 3.076 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1ncc(Br)cc1F)C(C)(C)C ZINC000862368710 629354100 /nfs/dbraw/zinc/35/41/00/629354100.db2.gz LLFMKVCBSQUCCA-GFCCVEGCSA-N 1 1 299.187 3.121 20 30 CGEDMO CCCCCCCNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000875765290 634730104 /nfs/dbraw/zinc/73/01/04/634730104.db2.gz KHRYBUKAGRCHFL-HUUCEWRRSA-N 1 1 283.460 3.081 20 30 CGEDMO CCCCCCCNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000875764546 634730455 /nfs/dbraw/zinc/73/04/55/634730455.db2.gz KNWZXZHNSDYTAX-CVEARBPZSA-N 1 1 297.487 3.329 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2c(C)nn(CCCC)c2Cl)C1 ZINC000862442734 629375651 /nfs/dbraw/zinc/37/56/51/629375651.db2.gz GSJBNOIBCSQAMP-CQSZACIVSA-N 1 1 293.842 3.490 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cccc(Br)c2)C1 ZINC000862442498 629376062 /nfs/dbraw/zinc/37/60/62/629376062.db2.gz CVIOEHUSLKOFIE-LBPRGKRZSA-N 1 1 278.193 3.294 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000862444519 629378153 /nfs/dbraw/zinc/37/81/53/629378153.db2.gz BHBAYPWTVJWENQ-GFCCVEGCSA-N 1 1 257.308 3.417 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(OC)c(OC)c2Cl)C1 ZINC000862445055 629378606 /nfs/dbraw/zinc/37/86/06/629378606.db2.gz KWJFCZNUEKONPQ-LBPRGKRZSA-N 1 1 293.794 3.202 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cn(-c3ccc(C)cc3)nc2C)C1 ZINC000862447519 629381222 /nfs/dbraw/zinc/38/12/22/629381222.db2.gz NNPGMIAWMGRZMO-KRWDZBQOSA-N 1 1 293.414 3.334 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](C[C@H](C)c2cc(F)cc(F)c2)C1 ZINC000862447435 629381388 /nfs/dbraw/zinc/38/13/88/629381388.db2.gz MSFJNAMDGLTANA-QWHCGFSZSA-N 1 1 263.331 3.414 20 30 CGEDMO C=CCCCCCCNC(=O)NC[C@H]1CCC[N@H+](CC)C1 ZINC000806004173 629401700 /nfs/dbraw/zinc/40/17/00/629401700.db2.gz KTASMJNBUDOQDY-MRXNPFEDSA-N 1 1 295.471 3.154 20 30 CGEDMO C[C@H](C#N)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793076118 629407818 /nfs/dbraw/zinc/40/78/18/629407818.db2.gz LEXQYIUTEHMIKT-SNVBAGLBSA-N 1 1 285.313 3.021 20 30 CGEDMO CCC(=NNc1cc[nH+]cc1)c1cc(C)ccc1C ZINC000863106780 629473390 /nfs/dbraw/zinc/47/33/90/629473390.db2.gz PKTBBUXUIPLPNY-UHFFFAOYSA-N 1 1 253.349 3.347 20 30 CGEDMO C=CCCCCC[C@H](C)[NH2+]CC(C)(C)N1CCN(C)CC1 ZINC000793521579 629474189 /nfs/dbraw/zinc/47/41/89/629474189.db2.gz CQQAWEANCSHSSJ-KRWDZBQOSA-N 1 1 295.515 3.127 20 30 CGEDMO C=CCCCCC[C@@H](C)[NH2+]C[C@@H]1CCN(CC)C1 ZINC000793520697 629474387 /nfs/dbraw/zinc/47/43/87/629474387.db2.gz HJVSYEVJEUMBQJ-CVEARBPZSA-N 1 1 252.446 3.443 20 30 CGEDMO CC1=C(C)C[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)CC1 ZINC000794890799 629594719 /nfs/dbraw/zinc/59/47/19/629594719.db2.gz XYOORCWODDWKNM-UHFFFAOYSA-N 1 1 292.386 3.421 20 30 CGEDMO CCCCCCCC[N@@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000795662309 629707024 /nfs/dbraw/zinc/70/70/24/629707024.db2.gz SDRJLMWPIZLZCU-CYBMUJFWSA-N 1 1 255.402 3.373 20 30 CGEDMO CCCCCCCC[N@H+]1CCCC2(C1)OCCO2 ZINC000125725578 634779624 /nfs/dbraw/zinc/77/96/24/634779624.db2.gz DYWTVPOYQJWRFB-UHFFFAOYSA-N 1 1 255.402 3.186 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000799179572 630152789 /nfs/dbraw/zinc/15/27/89/630152789.db2.gz PDPYLFWDITULQZ-CABCVRRESA-N 1 1 282.428 3.167 20 30 CGEDMO C#CC[N@@H+](C[C@@H]1CCC2(CCCC2)O1)C1CCCC1 ZINC000801520591 630340484 /nfs/dbraw/zinc/34/04/84/630340484.db2.gz HWDCMCCNSDONSC-INIZCTEOSA-N 1 1 261.409 3.356 20 30 CGEDMO C[C@@H]1CC(CC/[NH+]=C/c2ccccc2O)C[C@H](C)O1 ZINC000801645508 630349425 /nfs/dbraw/zinc/34/94/25/630349425.db2.gz BSPNVZQYMSAKNT-NKFZOZRWSA-N 1 1 261.365 3.405 20 30 CGEDMO Cc1ccc([C@H]2CCC[N@@H+]2CCO[C@H](C)C#N)cc1C ZINC000801915707 630365768 /nfs/dbraw/zinc/36/57/68/630365768.db2.gz MKGQDWWCWBEOAV-NVXWUHKLSA-N 1 1 272.392 3.369 20 30 CGEDMO CC(C)[C@@H](c1ccccc1)[N@@H+](C)CCO[C@@H](C)C#N ZINC000801919894 630366633 /nfs/dbraw/zinc/36/66/33/630366633.db2.gz JIFCIGBPBMUCCE-HOCLYGCPSA-N 1 1 260.381 3.244 20 30 CGEDMO Cc1ccc(C)c([C@H]2CCC[N@@H+]2CCO[C@@H](C)C#N)c1 ZINC000801928402 630368424 /nfs/dbraw/zinc/36/84/24/630368424.db2.gz AHMZXYKGSWAKCC-DOTOQJQBSA-N 1 1 272.392 3.369 20 30 CGEDMO C[C@H](c1nc2ccccc2s1)[N@@H+](C)CCO[C@@H](C)C#N ZINC000801929317 630368489 /nfs/dbraw/zinc/36/84/89/630368489.db2.gz KXPRWPGFUZGUBP-NWDGAFQWSA-N 1 1 289.404 3.218 20 30 CGEDMO C[C@H](c1nc2ccccc2s1)[N@H+](C)CCO[C@@H](C)C#N ZINC000801929317 630368492 /nfs/dbraw/zinc/36/84/92/630368492.db2.gz KXPRWPGFUZGUBP-NWDGAFQWSA-N 1 1 289.404 3.218 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@H]1CCCc1ccccc1 ZINC000801929380 630368544 /nfs/dbraw/zinc/36/85/44/630368544.db2.gz LSDZGQBJEAGXBP-FUHWJXTLSA-N 1 1 286.419 3.402 20 30 CGEDMO C=CCc1cc(C[N@H+]2CCC[C@](C)(F)C2)c(O)c(OC)c1 ZINC000840097903 630592062 /nfs/dbraw/zinc/59/20/62/630592062.db2.gz AIFDUQRVMZLRSC-KRWDZBQOSA-N 1 1 293.382 3.453 20 30 CGEDMO C=CCCCCCCNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000807572270 630593774 /nfs/dbraw/zinc/59/37/74/630593774.db2.gz YFAOUQXALBRVPN-CVEARBPZSA-N 1 1 295.471 3.247 20 30 CGEDMO Nc1ccc(C=[NH+]Nc2cccc(C(F)(F)F)c2)cn1 ZINC000807944031 630607947 /nfs/dbraw/zinc/60/79/47/630607947.db2.gz QMJOGJLPMJLYGR-UHFFFAOYSA-N 1 1 280.253 3.129 20 30 CGEDMO Nc1ccc(C=[NH+]Nc2ccc(C(F)(F)F)cc2)cn1 ZINC000807979691 630610461 /nfs/dbraw/zinc/61/04/61/630610461.db2.gz WDPCRMVSJSRSFI-UHFFFAOYSA-N 1 1 280.253 3.129 20 30 CGEDMO C#Cc1ccc(C[NH2+]Cc2cc(C(C)C)no2)cc1 ZINC000809618804 630763475 /nfs/dbraw/zinc/76/34/75/630763475.db2.gz OHVUKYKDNONXNN-UHFFFAOYSA-N 1 1 254.333 3.069 20 30 CGEDMO C#C[C@@H](C)[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000809683844 630779830 /nfs/dbraw/zinc/77/98/30/630779830.db2.gz RJPPQMVDEYPWPS-MRVPVSSYSA-N 1 1 261.674 3.470 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCCCC[C@@H]2C[C@H](C)O)cc1 ZINC000809701329 630785670 /nfs/dbraw/zinc/78/56/70/630785670.db2.gz XBSFQTJHOFASOP-MAUKXSAKSA-N 1 1 271.404 3.183 20 30 CGEDMO C#CC[N@H+](Cc1ccc(-c2cc[nH]n2)o1)Cc1ccccc1 ZINC000809716678 630790359 /nfs/dbraw/zinc/79/03/59/630790359.db2.gz QYIPGSPGOMFYIO-UHFFFAOYSA-N 1 1 291.354 3.305 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)Cc1ccccc1 ZINC000809716678 630790363 /nfs/dbraw/zinc/79/03/63/630790363.db2.gz QYIPGSPGOMFYIO-UHFFFAOYSA-N 1 1 291.354 3.305 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)C[C@@H]1CCO[C@H](CC)C1 ZINC000809718868 630791466 /nfs/dbraw/zinc/79/14/66/630791466.db2.gz ZUDYEIVWCUFQHC-QZTJIDSGSA-N 1 1 271.404 3.327 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000810048240 630834123 /nfs/dbraw/zinc/83/41/23/630834123.db2.gz ZGCLSLBPEOGLJR-QAPCUYQASA-N 1 1 269.388 3.258 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000811486501 631073544 /nfs/dbraw/zinc/07/35/44/631073544.db2.gz DVKNPXFYLLMKPX-CQSZACIVSA-N 1 1 284.444 3.434 20 30 CGEDMO C#C[C@H](Nc1[nH+]cnc2[nH]ccc21)c1ccc(Cl)cc1 ZINC000811863556 631128332 /nfs/dbraw/zinc/12/83/32/631128332.db2.gz ZLVBRSTUQKFGBJ-ZDUSSCGKSA-N 1 1 282.734 3.398 20 30 CGEDMO C#CCCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000812839686 631322514 /nfs/dbraw/zinc/32/25/14/631322514.db2.gz AHNRWJPALUXTHF-NXOAAHMSSA-N 1 1 263.425 3.051 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)CCCCCn1c(C)nc2ccccc21 ZINC000812837387 631323171 /nfs/dbraw/zinc/32/31/71/631323171.db2.gz FCRAQIJZIAQZDR-OAHLLOKOSA-N 1 1 283.419 3.469 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+]1CCC[C@H](CSC)C1 ZINC000814179806 631540219 /nfs/dbraw/zinc/54/02/19/631540219.db2.gz ZRRVWJZXZMBSLI-HNNXBMFYSA-N 1 1 289.444 3.274 20 30 CGEDMO CC(C)[N@@H+]1CC(N=Nc2ccc(F)c(F)c2F)[C@H](C)C1 ZINC000814944134 631694990 /nfs/dbraw/zinc/69/49/90/631694990.db2.gz SAFRHQBZVLONGD-SECBINFHSA-N 1 1 285.313 3.232 20 30 CGEDMO C=CCOCC[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000815079970 631712880 /nfs/dbraw/zinc/71/28/80/631712880.db2.gz CJLFRAAGBBNWNF-UHFFFAOYSA-N 1 1 278.783 3.027 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](O)c1cccc2ccccc21 ZINC000815100540 631716004 /nfs/dbraw/zinc/71/60/04/631716004.db2.gz QNALUEAPCHVSMB-KRWDZBQOSA-N 1 1 255.361 3.381 20 30 CGEDMO C=CC[N@H+](CCOC)C[C@H](O)c1cccc2ccccc21 ZINC000815100079 631716398 /nfs/dbraw/zinc/71/63/98/631716398.db2.gz CABZFUABHMEYAW-SFHVURJKSA-N 1 1 285.387 3.008 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OCC#N)[C@H]1C ZINC000815162987 631733584 /nfs/dbraw/zinc/73/35/84/631733584.db2.gz NRJWHGBWSJWVNU-MNOVXSKESA-N 1 1 264.756 3.083 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC#N)[C@H]1C ZINC000815162987 631733588 /nfs/dbraw/zinc/73/35/88/631733588.db2.gz NRJWHGBWSJWVNU-MNOVXSKESA-N 1 1 264.756 3.083 20 30 CGEDMO N#Cc1cccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)c1 ZINC000816534217 632005132 /nfs/dbraw/zinc/00/51/32/632005132.db2.gz AWTFBHINBXYVNF-UHFFFAOYSA-N 1 1 290.725 3.346 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1cccc(Cl)n1 ZINC000879433782 635786608 /nfs/dbraw/zinc/78/66/08/635786608.db2.gz FREYHDGPHWAAQX-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO C=C(C)C(C)(C)C(=O)OCC[C@H]1CCCC[N@@H+]1C ZINC000821444619 632774953 /nfs/dbraw/zinc/77/49/53/632774953.db2.gz MAWZTMNCRINNNL-CYBMUJFWSA-N 1 1 253.386 3.006 20 30 CGEDMO C[C@@H](c1ccccc1)[N@@H+](CC(=O)NCCC#N)C1CCCC1 ZINC000823110369 633062391 /nfs/dbraw/zinc/06/23/91/633062391.db2.gz RZMAKFGJXKXMMJ-HNNXBMFYSA-N 1 1 299.418 3.022 20 30 CGEDMO CC(C)c1ccoc1-c1noc([C@H]([NH3+])CCCC#N)n1 ZINC000823243959 633081007 /nfs/dbraw/zinc/08/10/07/633081007.db2.gz RKFJDUJZHINROX-LLVKDONJSA-N 1 1 274.324 3.147 20 30 CGEDMO C[N@@H+](CCCC(C)(C)C#N)C[C@@](C)(O)c1ccccc1 ZINC000823590232 633124744 /nfs/dbraw/zinc/12/47/44/633124744.db2.gz ANQIGYHODHWMGG-QGZVFWFLSA-N 1 1 274.408 3.156 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@](C)(O)c1ccccc1 ZINC000823605397 633126828 /nfs/dbraw/zinc/12/68/28/633126828.db2.gz JWMCZUKHIMUMTL-HNAYVOBHSA-N 1 1 294.398 3.459 20 30 CGEDMO C#C[C@H]([NH2+]Cc1cc2ccccc2cc1OC)[C@H]1CCCO1 ZINC000824196105 633210618 /nfs/dbraw/zinc/21/06/18/633210618.db2.gz ONXOBZRVRAJFOQ-ZWKOTPCHSA-N 1 1 295.382 3.119 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(O[C@@H]2CCOC2)cc1)C1CCCC1 ZINC000824901511 633304379 /nfs/dbraw/zinc/30/43/79/633304379.db2.gz LRUILYWEICYNTH-LJQANCHMSA-N 1 1 299.414 3.232 20 30 CGEDMO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000824953162 633309734 /nfs/dbraw/zinc/30/97/34/633309734.db2.gz HXWRGUNDCKGKAC-YPMHNXCESA-N 1 1 285.746 3.008 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CCC[C@]3(CCOC3)C2)cc1 ZINC000825133484 633331570 /nfs/dbraw/zinc/33/15/70/633331570.db2.gz HITXNMXGMOWNIF-IBGZPJMESA-N 1 1 299.414 3.091 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[NH2+][C@H](c2ccccc2C)C1 ZINC000825168725 633333853 /nfs/dbraw/zinc/33/38/53/633333853.db2.gz BUHMRZBAYGMBQT-FUHWJXTLSA-N 1 1 286.419 3.070 20 30 CGEDMO C[N@H+](Cc1ccc(Br)cc1O)CC(C)(C)C#N ZINC000826011320 633397189 /nfs/dbraw/zinc/39/71/89/633397189.db2.gz FXTYMMILRHAPED-UHFFFAOYSA-N 1 1 297.196 3.136 20 30 CGEDMO C[N@@H+](Cc1ccc(Br)cc1O)CC(C)(C)C#N ZINC000826011320 633397196 /nfs/dbraw/zinc/39/71/96/633397196.db2.gz FXTYMMILRHAPED-UHFFFAOYSA-N 1 1 297.196 3.136 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](C[C@@H]2CCO[C@H](CC)C2)C1 ZINC000826948160 633445823 /nfs/dbraw/zinc/44/58/23/633445823.db2.gz WQHHUCLXKPXYKZ-BZUAXINKSA-N 1 1 251.414 3.480 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000827650527 633507517 /nfs/dbraw/zinc/50/75/17/633507517.db2.gz RHPLSCXDJJLCFW-GOSISDBHSA-N 1 1 283.419 3.412 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000827650527 633507520 /nfs/dbraw/zinc/50/75/20/633507520.db2.gz RHPLSCXDJJLCFW-GOSISDBHSA-N 1 1 283.419 3.412 20 30 CGEDMO C#CC[N@@H+](CCC[C@H]1CCOC1)[C@@H]1CCc2ccccc21 ZINC000827808926 633519841 /nfs/dbraw/zinc/51/98/41/633519841.db2.gz UULYBUWZLMSZOD-QFBILLFUSA-N 1 1 283.415 3.426 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CCC1)c1ccc(N2CCCC2=O)cc1 ZINC000828674464 633641129 /nfs/dbraw/zinc/64/11/29/633641129.db2.gz BLOBFIABIPDDKU-CQSZACIVSA-N 1 1 297.402 3.158 20 30 CGEDMO CCC(C#N)(CC)C(=O)O[C@H](C)C[C@H]1CCCC[N@H+]1C ZINC000870787211 633646485 /nfs/dbraw/zinc/64/64/85/633646485.db2.gz UZAPPZFQZWJIRG-ZIAGYGMSSA-N 1 1 280.412 3.122 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000828739538 633647017 /nfs/dbraw/zinc/64/70/17/633647017.db2.gz XFSKQZUBXZJWSJ-INIZCTEOSA-N 1 1 263.356 3.075 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](CCOc2ccccc2C(C)=O)C1 ZINC000829769127 633778432 /nfs/dbraw/zinc/77/84/32/633778432.db2.gz PEBWLYCTIDFQJF-MRXNPFEDSA-N 1 1 285.387 3.003 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cc(F)ccc2OC)C1 ZINC000829775073 633780153 /nfs/dbraw/zinc/78/01/53/633780153.db2.gz XWDYJMXMELMUDG-ZDUSSCGKSA-N 1 1 261.340 3.070 20 30 CGEDMO C#CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C)C1 ZINC000829773793 633780998 /nfs/dbraw/zinc/78/09/98/633780998.db2.gz JWZDNCSMQFRHQR-HOTGVXAUSA-N 1 1 284.403 3.057 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2csc([C@H](C)OC)n2)C1 ZINC000829784070 633782052 /nfs/dbraw/zinc/78/20/52/633782052.db2.gz FZRPYLVGZPPWJT-QWHCGFSZSA-N 1 1 278.421 3.086 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2csc([C@H](C)OC)n2)C1 ZINC000829784070 633782054 /nfs/dbraw/zinc/78/20/54/633782054.db2.gz FZRPYLVGZPPWJT-QWHCGFSZSA-N 1 1 278.421 3.086 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2ncc(C(C)(C)C)o2)C1 ZINC000829778887 633782450 /nfs/dbraw/zinc/78/24/50/633782450.db2.gz JOPJIPSNCWIFQO-CYBMUJFWSA-N 1 1 260.381 3.207 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ncc(C(C)(C)C)o2)C1 ZINC000829778887 633782452 /nfs/dbraw/zinc/78/24/52/633782452.db2.gz JOPJIPSNCWIFQO-CYBMUJFWSA-N 1 1 260.381 3.207 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000829785015 633784184 /nfs/dbraw/zinc/78/41/84/633784184.db2.gz PFRBINQRBBGBNN-CQSZACIVSA-N 1 1 280.371 3.176 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2nc3cc(F)ccc3o2)C1 ZINC000829789204 633784197 /nfs/dbraw/zinc/78/41/97/633784197.db2.gz PXKLDWNTMXZMJH-GFCCVEGCSA-N 1 1 272.323 3.202 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+]([C@H](C(=O)OCC)c2ccccc2)C1 ZINC000829805606 633789307 /nfs/dbraw/zinc/78/93/07/633789307.db2.gz VMPVATDFPSQELS-WBVHZDCISA-N 1 1 285.387 3.026 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000829809813 633792961 /nfs/dbraw/zinc/79/29/61/633792961.db2.gz IETMYHHGAHNKCH-CZUORRHYSA-N 1 1 277.795 3.109 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000829810152 633793239 /nfs/dbraw/zinc/79/32/39/633793239.db2.gz MHHCINMBEJYCFH-GFCCVEGCSA-N 1 1 292.766 3.484 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000829811187 633794070 /nfs/dbraw/zinc/79/40/70/633794070.db2.gz ZFCLHJYXPPZBQU-WBMJQRKESA-N 1 1 295.785 3.248 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cc(C)nc(Cl)c2)C1 ZINC000829815527 633796648 /nfs/dbraw/zinc/79/66/48/633796648.db2.gz NMVRUNFBVUJWCN-ZDUSSCGKSA-N 1 1 262.784 3.279 20 30 CGEDMO C#C[C@H]1CC[C@H]([NH2+][C@H](C)c2ccc(F)cc2O)CC1 ZINC000872138939 634062035 /nfs/dbraw/zinc/06/20/35/634062035.db2.gz BUUARZNFMSANIM-YRGRVCCFSA-N 1 1 261.340 3.374 20 30 CGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc([C@@H](C)Oc2ccccc2)no1 ZINC000872175267 634078590 /nfs/dbraw/zinc/07/85/90/634078590.db2.gz OCEGBHFBTBZYSF-ZYHUDNBSSA-N 1 1 293.754 3.352 20 30 CGEDMO CN1CC[N@@H+](CCCCC(C)(C)C#N)Cc2cccnc21 ZINC000872319626 634108831 /nfs/dbraw/zinc/10/88/31/634108831.db2.gz KZUFDSDIXMJYHC-UHFFFAOYSA-N 1 1 286.423 3.053 20 30 CGEDMO CSc1nnc(SC)n1[NH+]=C[C@@H]1CCCC[C@H]1C ZINC000872417564 634141278 /nfs/dbraw/zinc/14/12/78/634141278.db2.gz FFZUKOLRRIBOLC-ZJUUUORDSA-N 1 1 284.454 3.382 20 30 CGEDMO C[C@@H]1CC[C@H](C)C(=[NH+]n2cc(Br)cn2)C1 ZINC000834966453 634296555 /nfs/dbraw/zinc/29/65/55/634296555.db2.gz OBGSVTHJWRXJHQ-BDAKNGLRSA-N 1 1 270.174 3.306 20 30 CGEDMO C[C@H]1CCC(=NNc2cc[nH+]cc2)c2sccc21 ZINC000834973182 634300086 /nfs/dbraw/zinc/30/00/86/634300086.db2.gz JNUOSYYTPPDTHM-JTQLQIEISA-N 1 1 257.362 3.279 20 30 CGEDMO CC[C@H]1CCC[N@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876613019 634867819 /nfs/dbraw/zinc/86/78/19/634867819.db2.gz FOOHXDYVHSUMEV-NSHDSACASA-N 1 1 263.772 3.229 20 30 CGEDMO CC[C@H]1CCC[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876613019 634867823 /nfs/dbraw/zinc/86/78/23/634867823.db2.gz FOOHXDYVHSUMEV-NSHDSACASA-N 1 1 263.772 3.229 20 30 CGEDMO C[C@@H]1CCC[N@H+](Cc2cc(C#N)cnc2Cl)[C@@H]1C ZINC000876657616 634877057 /nfs/dbraw/zinc/87/70/57/634877057.db2.gz PNCANFYJIZWMDE-GHMZBOCLSA-N 1 1 263.772 3.227 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2cc(C#N)cnc2Cl)[C@@H]1C ZINC000876657616 634877058 /nfs/dbraw/zinc/87/70/58/634877058.db2.gz PNCANFYJIZWMDE-GHMZBOCLSA-N 1 1 263.772 3.227 20 30 CGEDMO C=CC1CC[NH+](Cc2cc(C#N)cnc2Cl)CC1 ZINC000876727270 634887143 /nfs/dbraw/zinc/88/71/43/634887143.db2.gz HEWYDXUPSNHWPL-UHFFFAOYSA-N 1 1 261.756 3.005 20 30 CGEDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)C#CC3CC3)c2C1 ZINC000837485702 634918551 /nfs/dbraw/zinc/91/85/51/634918551.db2.gz QAOKQNRSLXGUHF-UHFFFAOYSA-N 1 1 282.387 3.010 20 30 CGEDMO CCCOc1ccc(C[NH2+]CC(C)(C)C#N)cc1C ZINC000877323470 635026793 /nfs/dbraw/zinc/02/67/93/635026793.db2.gz PEEKBLGVNHDFEX-UHFFFAOYSA-N 1 1 260.381 3.423 20 30 CGEDMO CC[N@@H+](CCC1CC1)Cc1cc(C#N)cnc1Cl ZINC000877352810 635030124 /nfs/dbraw/zinc/03/01/24/635030124.db2.gz DODXWHDHAIYGBC-UHFFFAOYSA-N 1 1 263.772 3.229 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000877540273 635079599 /nfs/dbraw/zinc/07/95/99/635079599.db2.gz VGSGOBIXJBXMNY-MAUKXSAKSA-N 1 1 284.403 3.396 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000877563721 635092344 /nfs/dbraw/zinc/09/23/44/635092344.db2.gz OPGZLNOCYNLNPP-GVDBMIGSSA-N 1 1 263.425 3.196 20 30 CGEDMO C=C(C)C[C@H]([NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)OC ZINC000877690353 635147240 /nfs/dbraw/zinc/14/72/40/635147240.db2.gz RHLASGRLLBHTRQ-WOPDTQHZSA-N 1 1 293.329 3.205 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3Cc4cccc(O)c4C3)cc2)CC1 ZINC000877703169 635155297 /nfs/dbraw/zinc/15/52/97/635155297.db2.gz ULUCUPBROLJEBA-UHFFFAOYSA-N 1 1 290.366 3.463 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000877741057 635175389 /nfs/dbraw/zinc/17/53/89/635175389.db2.gz URMJICQJHDWTDN-CHWSQXEVSA-N 1 1 252.427 3.001 20 30 CGEDMO COC(=O)c1ccc(N[NH2+]C(C)=C2CC2(F)F)cc1F ZINC000841642936 635207453 /nfs/dbraw/zinc/20/74/53/635207453.db2.gz DNHOWTVLQCZLRB-JTQLQIEISA-N 1 1 286.253 3.055 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@]3(CCc4ccccc43)C2)o1 ZINC000877811054 635214722 /nfs/dbraw/zinc/21/47/22/635214722.db2.gz TWZZQZAXORTJRH-SFHVURJKSA-N 1 1 278.355 3.241 20 30 CGEDMO C[C@H]1C[N@H+](Cc2cccc(C#N)c2)CC[C@H](C(F)(F)F)O1 ZINC000877823813 635229470 /nfs/dbraw/zinc/22/94/70/635229470.db2.gz NLOYMMHRFGAIHR-SMDDNHRTSA-N 1 1 298.308 3.100 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@H](C(F)(F)F)O1 ZINC000877823813 635229475 /nfs/dbraw/zinc/22/94/75/635229475.db2.gz NLOYMMHRFGAIHR-SMDDNHRTSA-N 1 1 298.308 3.100 20 30 CGEDMO C#C[C@@H]([NH2+][C@@H]1COC(C)(C)C1)c1ccc(Cl)cc1F ZINC000841885541 635246042 /nfs/dbraw/zinc/24/60/42/635246042.db2.gz FYFCLCLLAZGRME-SMDDNHRTSA-N 1 1 281.758 3.311 20 30 CGEDMO C#CCCCCC[N@H+](Cc1ccc(C(=O)NC)cc1)C1CC1 ZINC000877891042 635254182 /nfs/dbraw/zinc/25/41/82/635254182.db2.gz ALLWLDYXTCFEFO-UHFFFAOYSA-N 1 1 298.430 3.204 20 30 CGEDMO C[N@@H+](CCC1CCCCC1)C[C@H](O)c1cccc(C#N)c1 ZINC000842148190 635296026 /nfs/dbraw/zinc/29/60/26/635296026.db2.gz ODKUOKTVSUAMSA-SFHVURJKSA-N 1 1 286.419 3.494 20 30 CGEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCCC1(C)C)c1ccccc1 ZINC000878049364 635338337 /nfs/dbraw/zinc/33/83/37/635338337.db2.gz WTQOQELUNHPJMX-SFHVURJKSA-N 1 1 284.403 3.301 20 30 CGEDMO CCON=C1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842524657 635390528 /nfs/dbraw/zinc/39/05/28/635390528.db2.gz FKXGQYXZKLAHSI-UHFFFAOYSA-N 1 1 258.365 3.208 20 30 CGEDMO C#CCCCCC[N@H+](C)Cc1ccc(Cl)nc1 ZINC000878167445 635391428 /nfs/dbraw/zinc/39/14/28/635391428.db2.gz SYSYKGZPJRDCJV-UHFFFAOYSA-N 1 1 250.773 3.360 20 30 CGEDMO C#CCCCCC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000878188920 635403151 /nfs/dbraw/zinc/40/31/51/635403151.db2.gz PWFKAHQKNCSRJW-JKSUJKDBSA-N 1 1 275.392 3.361 20 30 CGEDMO C#CCCCCC[N@@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000878563166 635556520 /nfs/dbraw/zinc/55/65/20/635556520.db2.gz NRYIHLTVFKAQPD-IBGZPJMESA-N 1 1 285.431 3.206 20 30 CGEDMO C=C/C=C/CC[N@H+](CC(=C)C)Cc1ccc(CO)o1 ZINC000878607631 635567775 /nfs/dbraw/zinc/56/77/75/635567775.db2.gz YESQPMRLEMAWMY-AATRIKPKSA-N 1 1 261.365 3.282 20 30 CGEDMO C#C[C@](C)(CC)[NH2+]Cc1coc(-c2cccc(OC)c2)n1 ZINC000878660417 635595816 /nfs/dbraw/zinc/59/58/16/635595816.db2.gz HJPFVSCTUAZSRX-QGZVFWFLSA-N 1 1 284.359 3.242 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878698705 635607945 /nfs/dbraw/zinc/60/79/45/635607945.db2.gz HPRKLTYEMPVXAF-GWCFXTLKSA-N 1 1 287.190 3.309 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2scnc2Cl)C1 ZINC000878760148 635625078 /nfs/dbraw/zinc/62/50/78/635625078.db2.gz FGKLRIZPGAFZSR-JTQLQIEISA-N 1 1 254.786 3.032 20 30 CGEDMO C=CC[N@@H+](C[C@H]1CC(C)(C)OC1(C)C)[C@@H](C)COC ZINC000878889623 635651045 /nfs/dbraw/zinc/65/10/45/635651045.db2.gz DEQALRSSSXCIPZ-UONOGXRCSA-N 1 1 269.429 3.103 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000878903913 635654302 /nfs/dbraw/zinc/65/43/02/635654302.db2.gz HGMOTBJWIPBVJI-CYBMUJFWSA-N 1 1 273.767 3.172 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000878903913 635654306 /nfs/dbraw/zinc/65/43/06/635654306.db2.gz HGMOTBJWIPBVJI-CYBMUJFWSA-N 1 1 273.767 3.172 20 30 CGEDMO C=CC[N@@H+](Cc1nnc(-c2cccc(O)c2)o1)C(C)(C)C ZINC000878950395 635664266 /nfs/dbraw/zinc/66/42/66/635664266.db2.gz SBKOHZBYPWPBNB-UHFFFAOYSA-N 1 1 287.363 3.229 20 30 CGEDMO C[N@@H+](CC(C)(C)CCC#N)C[C@]1(O)CCc2ccccc21 ZINC000843420308 635664548 /nfs/dbraw/zinc/66/45/48/635664548.db2.gz BMSKABAVXSWSGQ-GOSISDBHSA-N 1 1 286.419 3.082 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cc(OC)ccc2F)C1 ZINC000843421825 635665261 /nfs/dbraw/zinc/66/52/61/635665261.db2.gz ABCDCHFSQSJLGR-ZDUSSCGKSA-N 1 1 261.340 3.070 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000843423505 635667043 /nfs/dbraw/zinc/66/70/43/635667043.db2.gz GCXKFNTWVSWMCL-GFCCVEGCSA-N 1 1 263.768 3.281 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2c(Cl)nc3ccccn32)C1 ZINC000843423959 635668010 /nfs/dbraw/zinc/66/80/10/635668010.db2.gz MTQVJIAGNNTZOU-CYBMUJFWSA-N 1 1 287.794 3.223 20 30 CGEDMO N#CCc1cccc2c1CC[N@@H+](C[C@@H]1C[C@H]3CCC[C@H]3O1)C2 ZINC000879064295 635693533 /nfs/dbraw/zinc/69/35/33/635693533.db2.gz BHSVRAJSCXAAGQ-HHXXYDBFSA-N 1 1 296.414 3.068 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H]1[C@@H](O)c1ccccc1 ZINC000879243848 635733201 /nfs/dbraw/zinc/73/32/01/635733201.db2.gz MNMIWPSWLYHGGM-HOTGVXAUSA-N 1 1 272.392 3.124 20 30 CGEDMO C[N@H+](C[C@H](O)c1ccc(F)cc1Cl)[C@@H]1CCC[C@H]1C#N ZINC000879309555 635751842 /nfs/dbraw/zinc/75/18/42/635751842.db2.gz HADDMPBBFMDXAS-VQISRLSMSA-N 1 1 296.773 3.137 20 30 CGEDMO C[N@@H+](C[C@H](O)c1ccc(F)cc1Cl)[C@@H]1CCC[C@H]1C#N ZINC000879309555 635751846 /nfs/dbraw/zinc/75/18/46/635751846.db2.gz HADDMPBBFMDXAS-VQISRLSMSA-N 1 1 296.773 3.137 20 30 CGEDMO CCCCCC[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844368177 635882654 /nfs/dbraw/zinc/88/26/54/635882654.db2.gz CQWQQXYLPKPVMV-INIZCTEOSA-N 1 1 260.381 3.104 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000844374016 635884266 /nfs/dbraw/zinc/88/42/66/635884266.db2.gz UPQCNPASYLWNAB-HNNXBMFYSA-N 1 1 265.784 3.200 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@]3(CCc4ccccc43)C2)C1 ZINC000879996618 635892626 /nfs/dbraw/zinc/89/26/26/635892626.db2.gz KCGIBACLRBYSNV-UWWQBHOKSA-N 1 1 266.388 3.269 20 30 CGEDMO N#CCSCCC[N@H+]1CC[C@]2(CCc3ccccc32)C1 ZINC000879998691 635894033 /nfs/dbraw/zinc/89/40/33/635894033.db2.gz YAFRXNXCVFQRQV-QGZVFWFLSA-N 1 1 286.444 3.223 20 30 CGEDMO C=C(Br)C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844439142 635900867 /nfs/dbraw/zinc/90/08/67/635900867.db2.gz NHWMTMBMDFHFTF-SECBINFHSA-N 1 1 266.129 3.016 20 30 CGEDMO C=C(Br)C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844439142 635900871 /nfs/dbraw/zinc/90/08/71/635900871.db2.gz NHWMTMBMDFHFTF-SECBINFHSA-N 1 1 266.129 3.016 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CCCC2(CC)CC)nn1 ZINC000880093683 635912107 /nfs/dbraw/zinc/91/21/07/635912107.db2.gz GIZXOYZVOOMOOU-UHFFFAOYSA-N 1 1 262.401 3.009 20 30 CGEDMO Cc1nccnc1[C@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC000880108087 635915029 /nfs/dbraw/zinc/91/50/29/635915029.db2.gz NCKNRCBHPLDJCE-LBPRGKRZSA-N 1 1 285.778 3.141 20 30 CGEDMO Cc1cc(C)c(O)c(C[N@@H+]2Cc3cccc(C#N)c3C2)c1 ZINC000844761095 635959429 /nfs/dbraw/zinc/95/94/29/635959429.db2.gz AOFXCVDTDVFCMP-UHFFFAOYSA-N 1 1 278.355 3.397 20 30 CGEDMO Cc1cc(C)c(O)c(C[N@H+]2Cc3cccc(C#N)c3C2)c1 ZINC000844761095 635959431 /nfs/dbraw/zinc/95/94/31/635959431.db2.gz AOFXCVDTDVFCMP-UHFFFAOYSA-N 1 1 278.355 3.397 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCCSC[C@@H]1c1ccccc1 ZINC000880388369 635990907 /nfs/dbraw/zinc/99/09/07/635990907.db2.gz QHFBLPUTGBMWKI-DLBZAZTESA-N 1 1 291.460 3.494 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCc3cc(F)c(F)cc3C2)C1 ZINC000880443232 636000966 /nfs/dbraw/zinc/00/09/66/636000966.db2.gz CXVBTUDLXPXIOC-ZWNOBZJWSA-N 1 1 262.303 3.015 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@@H+]2CCc3cc(F)c(F)cc3C2)C1 ZINC000880443232 636000967 /nfs/dbraw/zinc/00/09/67/636000967.db2.gz CXVBTUDLXPXIOC-ZWNOBZJWSA-N 1 1 262.303 3.015 20 30 CGEDMO C=CCC(CC=C)C(=O)OC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000845732640 636089781 /nfs/dbraw/zinc/08/97/81/636089781.db2.gz HFXXXNAQALJWAK-AWEZNQCLSA-N 1 1 265.397 3.171 20 30 CGEDMO CCCCCCCC(=O)OC[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000845814393 636102776 /nfs/dbraw/zinc/10/27/76/636102776.db2.gz RNNZMDNSQBWGTQ-KGLIPLIRSA-N 1 1 255.402 3.230 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1cn(-c2cccc(C)c2)nc1C ZINC000845951074 636123138 /nfs/dbraw/zinc/12/31/38/636123138.db2.gz GVDGHAGQNXZKKQ-UHFFFAOYSA-N 1 1 275.783 3.331 20 30 CGEDMO Cc1cc(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)cs1 ZINC000846008168 636128380 /nfs/dbraw/zinc/12/83/80/636128380.db2.gz SGAXKOQWVBEQRP-MRXNPFEDSA-N 1 1 286.400 3.094 20 30 CGEDMO C=C[C@H](C)ONC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000846549924 636200066 /nfs/dbraw/zinc/20/00/66/636200066.db2.gz KYRBNUXHZYWSRD-AWEZNQCLSA-N 1 1 290.407 3.153 20 30 CGEDMO C=CCCn1cc(C[N@H+]2C[C@H](C)C[C@H]2c2ccccc2)nn1 ZINC000846904361 636277172 /nfs/dbraw/zinc/27/71/72/636277172.db2.gz UDJHXYPMTXGEKF-QAPCUYQASA-N 1 1 296.418 3.437 20 30 CGEDMO CCCCCCCC[N@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000846930312 636287058 /nfs/dbraw/zinc/28/70/58/636287058.db2.gz AQEUOLKWXOZQTI-KRWDZBQOSA-N 1 1 282.472 3.144 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000847020164 636313045 /nfs/dbraw/zinc/31/30/45/636313045.db2.gz WVAGKHZXGHAFKZ-IUODEOHRSA-N 1 1 297.320 3.084 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccn(C(CC)CC)n2)C1 ZINC000847022460 636314254 /nfs/dbraw/zinc/31/42/54/636314254.db2.gz UMVKTNMWCIZPPV-AWEZNQCLSA-N 1 1 259.397 3.089 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccn(C(CC)CC)n2)C1 ZINC000847022460 636314257 /nfs/dbraw/zinc/31/42/57/636314257.db2.gz UMVKTNMWCIZPPV-AWEZNQCLSA-N 1 1 259.397 3.089 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(C)nc3ccccc23)C1 ZINC000847025684 636317230 /nfs/dbraw/zinc/31/72/30/636317230.db2.gz OGVCJTDOPLRCTQ-OAHLLOKOSA-N 1 1 264.372 3.388 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000847031254 636318229 /nfs/dbraw/zinc/31/82/29/636318229.db2.gz SUKCCUGCNLNYEF-ZDUSSCGKSA-N 1 1 284.334 3.326 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000847031254 636318235 /nfs/dbraw/zinc/31/82/35/636318235.db2.gz SUKCCUGCNLNYEF-ZDUSSCGKSA-N 1 1 284.334 3.326 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000847028472 636318302 /nfs/dbraw/zinc/31/83/02/636318302.db2.gz YWYCEZVQMAEPSP-GFCCVEGCSA-N 1 1 272.373 3.248 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000847028472 636318309 /nfs/dbraw/zinc/31/83/09/636318309.db2.gz YWYCEZVQMAEPSP-GFCCVEGCSA-N 1 1 272.373 3.248 20 30 CGEDMO C#C[C@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3cccs3)o2)C1 ZINC000847032588 636318978 /nfs/dbraw/zinc/31/89/78/636318978.db2.gz XGTKUYKKFQBQEG-NEPJUHHUSA-N 1 1 287.388 3.204 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@H](C)c2nnc(-c3cccs3)o2)C1 ZINC000847032588 636318984 /nfs/dbraw/zinc/31/89/84/636318984.db2.gz XGTKUYKKFQBQEG-NEPJUHHUSA-N 1 1 287.388 3.204 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000848494543 636581210 /nfs/dbraw/zinc/58/12/10/636581210.db2.gz WHKHZGXYPNSDMX-ZDUSSCGKSA-N 1 1 287.403 3.241 20 30 CGEDMO Cc1cccc(NCc2ccc(O[C@@H](C)C#N)cc2)[nH+]1 ZINC000131200891 636581853 /nfs/dbraw/zinc/58/18/53/636581853.db2.gz NWAWOFVSNDYLGO-ZDUSSCGKSA-N 1 1 267.332 3.293 20 30 CGEDMO C[C@@H]1CCC[C@H](c2noc([C@H]([NH3+])CCCCC#N)n2)C1 ZINC000848620618 636620406 /nfs/dbraw/zinc/62/04/06/636620406.db2.gz FLHBGNUKJKOXTA-FRRDWIJNSA-N 1 1 276.384 3.447 20 30 CGEDMO CC1CCC(c2noc([C@@H]([NH3+])CCCCC#N)n2)CC1 ZINC000848621285 636621219 /nfs/dbraw/zinc/62/12/19/636621219.db2.gz LBRHRAQBFPTTQY-BPCQOVAHSA-N 1 1 276.384 3.447 20 30 CGEDMO C=CCCCCC[N@@H+](C)Cn1c2ccccc2oc1=O ZINC000131394422 636647868 /nfs/dbraw/zinc/64/78/68/636647868.db2.gz OPKQXZAQVYGWFE-UHFFFAOYSA-N 1 1 274.364 3.230 20 30 CGEDMO C=CCCCCC[N@H+](C)Cn1c2ccccc2oc1=O ZINC000131394422 636647872 /nfs/dbraw/zinc/64/78/72/636647872.db2.gz OPKQXZAQVYGWFE-UHFFFAOYSA-N 1 1 274.364 3.230 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cnc(CC(C)C)s2)C1 ZINC000848923699 636696163 /nfs/dbraw/zinc/69/61/63/636696163.db2.gz IOTIQOULLRROQA-ZDUSSCGKSA-N 1 1 262.422 3.187 20 30 CGEDMO CC[C@H]1C[C@H](C[N@H+]2Cc3ccc(C#N)cc3C2)CCO1 ZINC000848926482 636698724 /nfs/dbraw/zinc/69/87/24/636698724.db2.gz YSSDOIOOJBVEPB-PBHICJAKSA-N 1 1 270.376 3.079 20 30 CGEDMO CCc1cccc(C[N@@H+]2Cc3ccc(C#N)cc3C2)c1O ZINC000848926212 636699403 /nfs/dbraw/zinc/69/94/03/636699403.db2.gz RZWCTBTWVLOSEL-UHFFFAOYSA-N 1 1 278.355 3.342 20 30 CGEDMO CCc1cccc(C[N@H+]2Cc3ccc(C#N)cc3C2)c1O ZINC000848926212 636699406 /nfs/dbraw/zinc/69/94/06/636699406.db2.gz RZWCTBTWVLOSEL-UHFFFAOYSA-N 1 1 278.355 3.342 20 30 CGEDMO CCCCCCCCNC(=[NH2+])NC[C@H](C)N1CCCCC1 ZINC000849071974 636738634 /nfs/dbraw/zinc/73/86/34/636738634.db2.gz WMKUUNYQNFTKRZ-INIZCTEOSA-N 1 1 296.503 3.335 20 30 CGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000849326022 636811575 /nfs/dbraw/zinc/81/15/75/636811575.db2.gz ARGLOZJYQQMTCI-QZTJIDSGSA-N 1 1 296.345 3.178 20 30 CGEDMO C=C1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)CC1 ZINC000889310331 637011906 /nfs/dbraw/zinc/01/19/06/637011906.db2.gz IXBFNCBBQGENLF-SJORKVTESA-N 1 1 290.451 3.207 20 30 CGEDMO C[N@@H+](CCCOc1ccc(C#N)cc1)Cc1ccccc1O ZINC000109773740 637267474 /nfs/dbraw/zinc/26/74/74/637267474.db2.gz GIGQBTMZLFOCSI-UHFFFAOYSA-N 1 1 296.370 3.165 20 30 CGEDMO C[N@H+](Cc1ccccc1Cl)C[C@H](O)CC1(C#N)CCC1 ZINC000885930829 637316941 /nfs/dbraw/zinc/31/69/41/637316941.db2.gz JAAPJMVQKRHRIX-CQSZACIVSA-N 1 1 292.810 3.217 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@@H+](Cc2ccccc2)C2CC2)CCC1 ZINC000885937881 637321639 /nfs/dbraw/zinc/32/16/39/637321639.db2.gz LXVKKZPQFIYSFE-QGZVFWFLSA-N 1 1 284.403 3.096 20 30 CGEDMO C[C@H](c1cccs1)[N@@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000885959412 637331996 /nfs/dbraw/zinc/33/19/96/637331996.db2.gz ZZTYYMRDGJFHCM-CHWSQXEVSA-N 1 1 278.421 3.186 20 30 CGEDMO C[C@H](c1ccccc1F)[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000885959031 637332049 /nfs/dbraw/zinc/33/20/49/637332049.db2.gz QUFHKQWWCLBPMS-KGLIPLIRSA-N 1 1 290.382 3.263 20 30 CGEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1C[C@]12CCOC2 ZINC000885969138 637337208 /nfs/dbraw/zinc/33/72/08/637337208.db2.gz LFSVVTZPROMGLC-ROUUACIJSA-N 1 1 284.403 3.195 20 30 CGEDMO C[N@@H+](C[C@H](O)CC1(C#N)CCC1)C1CCCCCCC1 ZINC000885973159 637338674 /nfs/dbraw/zinc/33/86/74/637338674.db2.gz PGLUHSRLGWEUIF-MRXNPFEDSA-N 1 1 278.440 3.476 20 30 CGEDMO CC1(C)C[N@@H+](C[C@@H](O)CC2(C#N)CCC2)Cc2ccccc21 ZINC000886090123 637404400 /nfs/dbraw/zinc/40/44/00/637404400.db2.gz PYRXQPKNTOCMBG-INIZCTEOSA-N 1 1 298.430 3.225 20 30 CGEDMO C=CC(C)(C)C(=O)OC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000851470614 637409029 /nfs/dbraw/zinc/40/90/29/637409029.db2.gz RPNSVURUQWGKHC-OAHLLOKOSA-N 1 1 273.376 3.016 20 30 CGEDMO C/C(=C/c1ccccc1)C[N@@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000886171468 637446592 /nfs/dbraw/zinc/44/65/92/637446592.db2.gz HNFMIMWXRRKROC-MUMAZLPKSA-N 1 1 298.430 3.467 20 30 CGEDMO C[C@@H](COCc1ccccc1)C[N@@H+](C)CC(C)(C)C#N ZINC000886217651 637462054 /nfs/dbraw/zinc/46/20/54/637462054.db2.gz FAKQTAORIVZDER-OAHLLOKOSA-N 1 1 274.408 3.321 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@H]1CC[C@@H](OC)C1 ZINC000851733270 637482113 /nfs/dbraw/zinc/48/21/13/637482113.db2.gz PPROAUUDORAECT-DOTOQJQBSA-N 1 1 275.392 3.251 20 30 CGEDMO C[C@@]1(c2ccccc2)CCC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886318192 637498295 /nfs/dbraw/zinc/49/82/95/637498295.db2.gz MDTOWBGWJBZBGM-ROUUACIJSA-N 1 1 298.430 3.442 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2nc(-c3ccc(CC)cc3)no2)C1 ZINC000886353882 637509515 /nfs/dbraw/zinc/50/95/15/637509515.db2.gz RQBDBDCPAWTLTR-HNNXBMFYSA-N 1 1 295.386 3.144 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000886354231 637509664 /nfs/dbraw/zinc/50/96/64/637509664.db2.gz YKKGSOGUDIPKCL-CYBMUJFWSA-N 1 1 284.334 3.326 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000886355528 637511000 /nfs/dbraw/zinc/51/10/00/637511000.db2.gz JWSQUBWJBGTTQJ-HNNXBMFYSA-N 1 1 295.386 3.014 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cccc(C(=O)C(F)(F)F)c2)C1 ZINC000886366196 637516000 /nfs/dbraw/zinc/51/60/00/637516000.db2.gz ZFCPHJBCYFMGGA-GFCCVEGCSA-N 1 1 295.304 3.277 20 30 CGEDMO N#CC1(CC[N@H+]2CC[C@@]3(CO)CCC[C@@H]23)CCCCC1 ZINC000886634367 637619714 /nfs/dbraw/zinc/61/97/14/637619714.db2.gz CBCYLUMHCSWGAP-NVXWUHKLSA-N 1 1 276.424 3.087 20 30 CGEDMO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)c2c(O)cccc2F)CC1 ZINC000886650220 637629234 /nfs/dbraw/zinc/62/92/34/637629234.db2.gz RSGIHJPMIHITNX-AVGNSLFASA-N 1 1 261.340 3.374 20 30 CGEDMO CC(C)=CCC[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852331379 637636175 /nfs/dbraw/zinc/63/61/75/637636175.db2.gz NCKBGOHKJITSLB-QGZVFWFLSA-N 1 1 269.392 3.295 20 30 CGEDMO CC(C)=CCC[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852331379 637636177 /nfs/dbraw/zinc/63/61/77/637636177.db2.gz NCKBGOHKJITSLB-QGZVFWFLSA-N 1 1 269.392 3.295 20 30 CGEDMO N#C[C@]1(c2ccccn2)CCC[N@H+](CCC2CCC2)C1 ZINC000852331340 637637000 /nfs/dbraw/zinc/63/70/00/637637000.db2.gz MHWMLXRCQQFVMA-QGZVFWFLSA-N 1 1 269.392 3.129 20 30 CGEDMO N#C[C@]1(c2ccccn2)CCC[N@@H+](CCC2CCC2)C1 ZINC000852331340 637637009 /nfs/dbraw/zinc/63/70/09/637637009.db2.gz MHWMLXRCQQFVMA-QGZVFWFLSA-N 1 1 269.392 3.129 20 30 CGEDMO N#CCOc1ccc(C[N@@H+]2CCC[C@H](CCF)C2)cc1 ZINC000852533130 637674041 /nfs/dbraw/zinc/67/40/41/637674041.db2.gz OWHQOPLTGIIJJQ-CQSZACIVSA-N 1 1 276.355 3.161 20 30 CGEDMO C=CCC1([NH2+]CC(=O)OCc2ccccc2)CCCC1 ZINC000852588717 637684155 /nfs/dbraw/zinc/68/41/55/637684155.db2.gz XGBSKQAFPIAUHU-UHFFFAOYSA-N 1 1 273.376 3.208 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@](C)(O)c1ccccc1 ZINC000852686340 637695802 /nfs/dbraw/zinc/69/58/02/637695802.db2.gz RWPUZNWKKUYOPK-IXDOHACOSA-N 1 1 257.377 3.077 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)c1cccc(F)c1 ZINC000852685857 637695869 /nfs/dbraw/zinc/69/58/69/637695869.db2.gz LKAAUKIYWAWKGS-OWCLPIDISA-N 1 1 261.340 3.042 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCNC(=O)OC(C)(C)C ZINC000852687936 637697164 /nfs/dbraw/zinc/69/71/64/637697164.db2.gz OQKYRAGAOPQLAG-OKILXGFUSA-N 1 1 280.412 3.084 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1cccc(C(F)(F)F)c1 ZINC000852752128 637706180 /nfs/dbraw/zinc/70/61/80/637706180.db2.gz UHVOQTFGAHSBSC-UHFFFAOYSA-N 1 1 285.309 3.177 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1cc(C)nc2ccccc12 ZINC000852751523 637706382 /nfs/dbraw/zinc/70/63/82/637706382.db2.gz GSCCOWOWSGFOKV-UHFFFAOYSA-N 1 1 282.387 3.015 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1cnc2ccc(C)cc2c1 ZINC000852749831 637707072 /nfs/dbraw/zinc/70/70/72/637707072.db2.gz HCJFIBNKODYKBD-UHFFFAOYSA-N 1 1 282.387 3.015 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1Cc2ccccc2OC2(CCC2)C1 ZINC000887149556 637763267 /nfs/dbraw/zinc/76/32/67/637763267.db2.gz ASCOXSYHDCMPKN-AWEZNQCLSA-N 1 1 270.376 3.496 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](CN2Cc3ccc(F)cc3C2=O)C1 ZINC000853536393 637864096 /nfs/dbraw/zinc/86/40/96/637864096.db2.gz BRRNNUOTJLWBAY-ZDUSSCGKSA-N 1 1 288.366 3.027 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](CN2Cc3ccc(F)cc3C2=O)C1 ZINC000853536393 637864101 /nfs/dbraw/zinc/86/41/01/637864101.db2.gz BRRNNUOTJLWBAY-ZDUSSCGKSA-N 1 1 288.366 3.027 20 30 CGEDMO CC[C@@H]([NH2+]Cc1cccc(C)n1)c1cccc(C#N)c1O ZINC000924721465 638394787 /nfs/dbraw/zinc/39/47/87/638394787.db2.gz CDTKZIFTCQSDSJ-MRXNPFEDSA-N 1 1 281.359 3.208 20 30 CGEDMO CC(C)n1cc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)nn1 ZINC000925185268 638469526 /nfs/dbraw/zinc/46/95/26/638469526.db2.gz JNTHDSPQLHUXRQ-STQMWFEESA-N 1 1 283.379 3.142 20 30 CGEDMO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H](N)C12CCC2 ZINC000925687972 638570091 /nfs/dbraw/zinc/57/00/91/638570091.db2.gz CZLBEDUVVZCOEP-IXDOHACOSA-N 1 1 270.420 3.033 20 30 CGEDMO C#CC[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1ccccc1 ZINC000857859740 638582888 /nfs/dbraw/zinc/58/28/88/638582888.db2.gz WFHDALTWGZALOO-HOTGVXAUSA-N 1 1 265.360 3.141 20 30 CGEDMO C=CCCCCC[C@@H](C)[NH2+]C[C@H]1CNCCC1(F)F ZINC000925774494 638608301 /nfs/dbraw/zinc/60/83/01/638608301.db2.gz ATEAPGVPMKTGOH-ZIAGYGMSSA-N 1 1 274.399 3.346 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858046792 638621665 /nfs/dbraw/zinc/62/16/65/638621665.db2.gz DYWUJWBCJAGWEC-YOEHRIQHSA-N 1 1 284.403 3.214 20 30 CGEDMO CCCc1ncc(C[NH2+][C@H](CC)c2cccc(C#N)c2O)o1 ZINC000926536908 638782701 /nfs/dbraw/zinc/78/27/01/638782701.db2.gz IMMDQEBRNTYHFP-OAHLLOKOSA-N 1 1 299.374 3.445 20 30 CGEDMO CC[C@@H]([NH2+]Cc1ccc(C)o1)c1cccc(C#N)c1O ZINC000926786706 638811732 /nfs/dbraw/zinc/81/17/32/638811732.db2.gz AHYMCALJARBMPS-OAHLLOKOSA-N 1 1 270.332 3.406 20 30 CGEDMO C=CC[N@@H+](Cc1cnn(CCF)c1)Cc1ccccc1 ZINC000929162895 638904106 /nfs/dbraw/zinc/90/41/06/638904106.db2.gz VFOXCZPFKMLYSA-UHFFFAOYSA-N 1 1 273.355 3.041 20 30 CGEDMO C=CC[N@H+](Cc1cnn(CCF)c1)Cc1ccccc1 ZINC000929162895 638904107 /nfs/dbraw/zinc/90/41/07/638904107.db2.gz VFOXCZPFKMLYSA-UHFFFAOYSA-N 1 1 273.355 3.041 20 30 CGEDMO Cc1noc(C)c1C[N@@H+](C)Cc1c(C)cc(C#N)cc1C ZINC000929254065 638911979 /nfs/dbraw/zinc/91/19/79/638911979.db2.gz LLEJLLUOHXZZOF-UHFFFAOYSA-N 1 1 283.375 3.412 20 30 CGEDMO Cc1noc(C)c1C[N@H+](C)Cc1c(C)cc(C#N)cc1C ZINC000929254065 638911982 /nfs/dbraw/zinc/91/19/82/638911982.db2.gz LLEJLLUOHXZZOF-UHFFFAOYSA-N 1 1 283.375 3.412 20 30 CGEDMO CC[C@@H](C)[C@H](C)[N@@H+](Cc1cncc(C#N)c1)C1CC1 ZINC000929528152 638930891 /nfs/dbraw/zinc/93/08/91/638930891.db2.gz ABVZTTTVBMOQLC-OLZOCXBDSA-N 1 1 257.381 3.352 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)CCSc1ccncc1 ZINC000929688824 638941220 /nfs/dbraw/zinc/94/12/20/638941220.db2.gz XKPTVEZCKSVVHI-UHFFFAOYSA-N 1 1 263.410 3.045 20 30 CGEDMO CC(C)C[N@H+](CCC#N)CCSc1ccncc1 ZINC000929688824 638941223 /nfs/dbraw/zinc/94/12/23/638941223.db2.gz XKPTVEZCKSVVHI-UHFFFAOYSA-N 1 1 263.410 3.045 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000929691124 638941811 /nfs/dbraw/zinc/94/18/11/638941811.db2.gz DDLOOWTWOSQEPP-NWDGAFQWSA-N 1 1 292.345 3.358 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000929691124 638941813 /nfs/dbraw/zinc/94/18/13/638941813.db2.gz DDLOOWTWOSQEPP-NWDGAFQWSA-N 1 1 292.345 3.358 20 30 CGEDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1Cc1cncc(C#N)c1 ZINC000929693826 638941916 /nfs/dbraw/zinc/94/19/16/638941916.db2.gz SKRPYZIAYFETFX-BBRMVZONSA-N 1 1 257.381 3.354 20 30 CGEDMO C[C@@H]1C[N@H+](CC2CCC(C#N)CC2)C[C@H](C)S1 ZINC000929726396 638945380 /nfs/dbraw/zinc/94/53/80/638945380.db2.gz SPRFCJUEMXTJAG-VTXSZYRJSA-N 1 1 252.427 3.142 20 30 CGEDMO CC(C)CC[C@H]1CCC[N@H+]1Cc1cncc(C#N)c1 ZINC000929852454 638957020 /nfs/dbraw/zinc/95/70/20/638957020.db2.gz DCCFEVXVKQBDLB-MRXNPFEDSA-N 1 1 257.381 3.354 20 30 CGEDMO C[N@@H+](CCCCC1(C#N)CCC1)[C@@H](CO)C(C)(C)C ZINC000930056634 638971618 /nfs/dbraw/zinc/97/16/18/638971618.db2.gz BVECEPZZIDAELQ-AWEZNQCLSA-N 1 1 266.429 3.189 20 30 CGEDMO C[N@@H+](Cc1cc(Cl)cc(C#N)c1)[C@@H]1CCSC1 ZINC000930094709 638974220 /nfs/dbraw/zinc/97/42/20/638974220.db2.gz TUPYUCVHIXNDJY-CYBMUJFWSA-N 1 1 266.797 3.149 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCOCC23CCCC3)CCC1 ZINC000930132796 638977267 /nfs/dbraw/zinc/97/72/67/638977267.db2.gz BOZLNNRDZHNYRJ-UHFFFAOYSA-N 1 1 276.424 3.496 20 30 CGEDMO C[N@H+](Cc1cc(Cl)cc(C#N)c1)CC1CCOCC1 ZINC000930154875 638977899 /nfs/dbraw/zinc/97/78/99/638977899.db2.gz NKGJUXYIGJMRAS-UHFFFAOYSA-N 1 1 278.783 3.070 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCC[C@H]2c2ncc[nH]2)CCC1 ZINC000930162663 638978220 /nfs/dbraw/zinc/97/82/20/638978220.db2.gz KHJLSPRJZVCWKC-AWEZNQCLSA-N 1 1 272.396 3.411 20 30 CGEDMO CC[C@H]([NH2+]Cc1cncc(C#N)c1)c1ccc(F)cc1F ZINC000930222658 638984052 /nfs/dbraw/zinc/98/40/52/638984052.db2.gz QKTOCCOQYGFATE-INIZCTEOSA-N 1 1 287.313 3.472 20 30 CGEDMO CO[C@@H]1CC[N@@H+](CCCCC2(C#N)CCC2)[C@@H](C)C1 ZINC000930325609 638990859 /nfs/dbraw/zinc/99/08/59/638990859.db2.gz VPPZZWSUMAZAAL-LSDHHAIUSA-N 1 1 264.413 3.350 20 30 CGEDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1CC1CCC(C#N)CC1 ZINC000930455996 639001150 /nfs/dbraw/zinc/00/11/50/639001150.db2.gz SFXHXPPICHNTPA-OTBWCIGPSA-N 1 1 278.440 3.332 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H](COC)C(C)C ZINC000930455596 639001617 /nfs/dbraw/zinc/00/16/17/639001617.db2.gz NDYSCRHESOJQOU-HNNXBMFYSA-N 1 1 295.423 3.069 20 30 CGEDMO N#CC[C@@H](O)C[NH2+][C@@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000930507038 639013413 /nfs/dbraw/zinc/01/34/13/639013413.db2.gz BOYCWKJXGRGSJZ-QMTHXVAHSA-N 1 1 299.201 3.309 20 30 CGEDMO Cc1cnn([C@@H]2CC[N@@H+](CCCCC3(C#N)CCC3)C2)c1 ZINC000930526925 639018952 /nfs/dbraw/zinc/01/89/52/639018952.db2.gz UOJKQBZRTYSBCB-MRXNPFEDSA-N 1 1 286.423 3.303 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](Cc2cc(Cl)cc(C#N)c2)CCCO1 ZINC000930588218 639032536 /nfs/dbraw/zinc/03/25/36/639032536.db2.gz GNKHLDSBPLRNDU-MRXNPFEDSA-N 1 1 292.810 3.459 20 30 CGEDMO CS[C@@H]1CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000930611201 639037606 /nfs/dbraw/zinc/03/76/06/639037606.db2.gz VARGOKMGEIFMAN-CYBMUJFWSA-N 1 1 252.427 3.288 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000930623826 639040176 /nfs/dbraw/zinc/04/01/76/639040176.db2.gz VALPPPMRCSRDQT-UHOSZYNNSA-N 1 1 298.430 3.301 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCSC[C@H]2C2CC2)CC1 ZINC000930641894 639043960 /nfs/dbraw/zinc/04/39/60/639043960.db2.gz IFNZVADTOQAYRH-PIMMBPRGSA-N 1 1 264.438 3.144 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000930709860 639057272 /nfs/dbraw/zinc/05/72/72/639057272.db2.gz KFKCZXXPPXLWKI-HNNXBMFYSA-N 1 1 280.456 3.168 20 30 CGEDMO CC[N@@H+](CC1CC(OC)C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000859089310 639075639 /nfs/dbraw/zinc/07/56/39/639075639.db2.gz BXLYRKUTMBJMGW-KTAKPFMOSA-N 1 1 272.392 3.366 20 30 CGEDMO C#CC[N@H+](Cc1cc(CO)ccc1F)C1CCCCC1 ZINC000859093427 639076832 /nfs/dbraw/zinc/07/68/32/639076832.db2.gz MYPORNKLDGMIQM-UHFFFAOYSA-N 1 1 275.367 3.086 20 30 CGEDMO C#CCCCCCC[N@H+]1CCC[C@@H]1c1ncccn1 ZINC000931054954 639103064 /nfs/dbraw/zinc/10/30/64/639103064.db2.gz RGIOSUBXOQFOGN-OAHLLOKOSA-N 1 1 257.381 3.197 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCC[C@H]2c2ncccn2)CCC1 ZINC000931055595 639103855 /nfs/dbraw/zinc/10/38/55/639103855.db2.gz YDPVOGLOGQEYIJ-HNNXBMFYSA-N 1 1 284.407 3.478 20 30 CGEDMO C=C[C@H](CO)[NH2+]Cc1nc2c(s1)C(C)(C)CC(C)(C)C2 ZINC000931068175 639107486 /nfs/dbraw/zinc/10/74/86/639107486.db2.gz WNGPLNUZOKLRFJ-LLVKDONJSA-N 1 1 294.464 3.030 20 30 CGEDMO C[C@@H]1C[N@@H+](CC2CCC(C#N)CC2)C[C@@](C)(C(F)F)O1 ZINC000931079382 639108546 /nfs/dbraw/zinc/10/85/46/639108546.db2.gz JPRVNVQWBBKZSK-LPXQKFACSA-N 1 1 286.366 3.061 20 30 CGEDMO C/C=C\C[C@H]1CCC[N@@H+](Cc2cncc(C#N)c2)C1 ZINC000931337448 639137640 /nfs/dbraw/zinc/13/76/40/639137640.db2.gz JXZQLKFFKJFEQB-SFAKSCPVSA-N 1 1 255.365 3.131 20 30 CGEDMO C=CC[C@H]1CC[N@H+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000859444172 639141715 /nfs/dbraw/zinc/14/17/15/639141715.db2.gz FPVGJVCHMUJOLI-LSDHHAIUSA-N 1 1 294.439 3.141 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000859444171 639141872 /nfs/dbraw/zinc/14/18/72/639141872.db2.gz FPVGJVCHMUJOLI-HUUCEWRRSA-N 1 1 294.439 3.141 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](C[C@H](O)c2cccc(Cl)c2)C1 ZINC000859444557 639141981 /nfs/dbraw/zinc/14/19/81/639141981.db2.gz SMKCEXXRCVNPEE-DOMZBBRYSA-N 1 1 265.784 3.271 20 30 CGEDMO N#CCC1(C[N@H+]2CCC[C@@H](c3c[nH]c4ncccc34)C2)CC1 ZINC000931376462 639142949 /nfs/dbraw/zinc/14/29/49/639142949.db2.gz PUQQRLDYWPSBOG-CQSZACIVSA-N 1 1 294.402 3.436 20 30 CGEDMO C=C(C)CC[N@@H+]1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1 ZINC000931389788 639143910 /nfs/dbraw/zinc/14/39/10/639143910.db2.gz QPIDMLUMCMTYCC-QGZVFWFLSA-N 1 1 285.366 3.463 20 30 CGEDMO C=C(C)CC[N@H+]1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1 ZINC000931389788 639143915 /nfs/dbraw/zinc/14/39/15/639143915.db2.gz QPIDMLUMCMTYCC-QGZVFWFLSA-N 1 1 285.366 3.463 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC000859583384 639168301 /nfs/dbraw/zinc/16/83/01/639168301.db2.gz UBUZHWCLQVXFOL-LJQANCHMSA-N 1 1 292.382 3.042 20 30 CGEDMO CC(C)(C)[C@H]1CSCC[N@H+]1CCCSCC#N ZINC000931593722 639176184 /nfs/dbraw/zinc/17/61/84/639176184.db2.gz YBFQPTZTXOQTSX-GFCCVEGCSA-N 1 1 272.483 3.097 20 30 CGEDMO Cc1ccccc1[C@@H](CO)[N@@H+](C)CC1CCC(C#N)CC1 ZINC000931743933 639199171 /nfs/dbraw/zinc/19/91/71/639199171.db2.gz KJKRLKLMMLJDHC-LEOMRAHMSA-N 1 1 286.419 3.290 20 30 CGEDMO C=CC[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000931957361 639243654 /nfs/dbraw/zinc/24/36/54/639243654.db2.gz XRSPKHQTWVLEMR-QLFBSQMISA-N 1 1 296.455 3.434 20 30 CGEDMO C#CCCC[N@@H+]1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC000860103949 639283185 /nfs/dbraw/zinc/28/31/85/639283185.db2.gz CZAITGFMHBSDQE-AWEZNQCLSA-N 1 1 261.340 3.037 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000932196068 639294243 /nfs/dbraw/zinc/29/42/43/639294243.db2.gz UUOBSTHIZBFOIQ-LLVKDONJSA-N 1 1 256.802 3.150 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000932196068 639294249 /nfs/dbraw/zinc/29/42/49/639294249.db2.gz UUOBSTHIZBFOIQ-LLVKDONJSA-N 1 1 256.802 3.150 20 30 CGEDMO C#CCC1([NH2+]Cc2nc(C(C)C)no2)CCCCC1 ZINC000933267223 639434387 /nfs/dbraw/zinc/43/43/87/639434387.db2.gz CQKYXOGDTNKCIJ-UHFFFAOYSA-N 1 1 261.369 3.009 20 30 CGEDMO C#CCC1([NH2+]Cc2nc(-c3ccc(F)c(C)c3)no2)CCC1 ZINC000933299661 639437128 /nfs/dbraw/zinc/43/71/28/639437128.db2.gz ZVVSDAISCJUOKV-UHFFFAOYSA-N 1 1 299.349 3.220 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000933771253 639489029 /nfs/dbraw/zinc/48/90/29/639489029.db2.gz WUVNMGJGFMWQRG-YDHLFZDLSA-N 1 1 276.405 3.009 20 30 CGEDMO C[C@H](CCC#N)[N@@H+](C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000934415211 639603773 /nfs/dbraw/zinc/60/37/73/639603773.db2.gz NAEBYOATKYOWQL-CYBMUJFWSA-N 1 1 268.364 3.201 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1CC(=O)c1c[nH]c2ccc(F)cc21 ZINC000934460930 639612243 /nfs/dbraw/zinc/61/22/43/639612243.db2.gz TZCWDAAWEFPEPQ-GFCCVEGCSA-N 1 1 272.323 3.140 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1CC(=O)c1c[nH]c2ccc(F)cc21 ZINC000934460930 639612244 /nfs/dbraw/zinc/61/22/44/639612244.db2.gz TZCWDAAWEFPEPQ-GFCCVEGCSA-N 1 1 272.323 3.140 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000934469852 639614797 /nfs/dbraw/zinc/61/47/97/639614797.db2.gz IHNKXLWODMYLFZ-SJLPKXTDSA-N 1 1 298.430 3.221 20 30 CGEDMO COc1cc([C@H](C)[NH2+]CCC#N)cc2ccccc21 ZINC000934631663 639645116 /nfs/dbraw/zinc/64/51/16/639645116.db2.gz NFCUKFATRWYKNS-LBPRGKRZSA-N 1 1 254.333 3.413 20 30 CGEDMO C=CCCC[N@H+](CC)C[C@@H](O)c1cc(OC)ccc1OC ZINC000934647457 639648689 /nfs/dbraw/zinc/64/86/89/639648689.db2.gz OWBUPSNAFSDNTK-MRXNPFEDSA-N 1 1 293.407 3.025 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N(C)C[C@@H]2CCC[N@H+]2C)c1 ZINC000934884727 639701234 /nfs/dbraw/zinc/70/12/34/639701234.db2.gz FMZOLNYAEYICTI-INIZCTEOSA-N 1 1 287.407 3.278 20 30 CGEDMO CC[C@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)CCS1 ZINC000076071748 640173360 /nfs/dbraw/zinc/17/33/60/640173360.db2.gz WXUAOIATNJDVNT-INIZCTEOSA-N 1 1 290.432 3.155 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](O)c1ccccc1Cl ZINC000076737060 640211591 /nfs/dbraw/zinc/21/15/91/640211591.db2.gz FHDMNEAQMUJNLR-AWEZNQCLSA-N 1 1 253.773 3.271 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+]1CCSCC[C@H]1C ZINC000191817126 640331946 /nfs/dbraw/zinc/33/19/46/640331946.db2.gz JPRUFFKVTPLTHM-CQSZACIVSA-N 1 1 275.417 3.026 20 30 CGEDMO C=CCn1c(C)nn(C[N@@H+](C)[C@H]2CCC[C@H](C)C2)c1=S ZINC000192566364 640388608 /nfs/dbraw/zinc/38/86/08/640388608.db2.gz ATXBCSBFFPZITG-JSGCOSHPSA-N 1 1 294.468 3.377 20 30 CGEDMO C=CCn1c(C)nn(C[N@H+](C)[C@H]2CCC[C@H](C)C2)c1=S ZINC000192566364 640388611 /nfs/dbraw/zinc/38/86/11/640388611.db2.gz ATXBCSBFFPZITG-JSGCOSHPSA-N 1 1 294.468 3.377 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000245507098 640622256 /nfs/dbraw/zinc/62/22/56/640622256.db2.gz PHCMHCHOPFEYOJ-ZIAGYGMSSA-N 1 1 258.365 3.352 20 30 CGEDMO Cc1cc(C[N@@H+]2CCC[C@H](C#N)C2)c2ccccc2n1 ZINC000092347735 640735418 /nfs/dbraw/zinc/73/54/18/640735418.db2.gz WPCBFARNLJHALO-CQSZACIVSA-N 1 1 265.360 3.279 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@H](C#N)C2)c2ccccc2n1 ZINC000092347735 640735422 /nfs/dbraw/zinc/73/54/22/640735422.db2.gz WPCBFARNLJHALO-CQSZACIVSA-N 1 1 265.360 3.279 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CCCCC1 ZINC001017331089 640754128 /nfs/dbraw/zinc/75/41/28/640754128.db2.gz IQNOERKTOYPBEF-CALCHBBNSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C(C)C)c2)C1 ZINC001009089707 640955298 /nfs/dbraw/zinc/95/52/98/640955298.db2.gz BCYQWPXPMVCGOG-KRWDZBQOSA-N 1 1 286.419 3.190 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccoc2CCC)C1 ZINC001009195408 640956358 /nfs/dbraw/zinc/95/63/58/640956358.db2.gz LTPRDTSYQNXUTN-AWEZNQCLSA-N 1 1 290.407 3.002 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C(F)F)c2)C1 ZINC001009262419 640958016 /nfs/dbraw/zinc/95/80/16/640958016.db2.gz GOOWWDSQFWFDJP-CQSZACIVSA-N 1 1 294.345 3.004 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CC3=CCCCC3)C2)C1 ZINC001015674247 640983768 /nfs/dbraw/zinc/98/37/68/640983768.db2.gz XGFJHIRIGALNQB-INIZCTEOSA-N 1 1 288.435 3.034 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)CC2CCC(C)(C)CC2)C1 ZINC001016433563 640999593 /nfs/dbraw/zinc/99/95/93/640999593.db2.gz PAWAEULLNUVOLX-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[C@@H]1C ZINC001017864545 641017866 /nfs/dbraw/zinc/01/78/66/641017866.db2.gz KHNGEDGJGWXRRZ-MWDXBVQZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)cccc1C ZINC001017988019 641019270 /nfs/dbraw/zinc/01/92/70/641019270.db2.gz UUAFDIIBNRGYMF-CALCHBBNSA-N 1 1 298.430 3.168 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)CC(C)(C)C ZINC001155418238 805580451 /nfs/dbraw/zinc/58/04/51/805580451.db2.gz CTEKPKRSHLWJGI-HUUCEWRRSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](CCC)C(C)C ZINC001155547156 805590061 /nfs/dbraw/zinc/59/00/61/805590061.db2.gz PCUUACIXRCURMW-CVEARBPZSA-N 1 1 282.472 3.461 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](CC)CC1CCCC1 ZINC001155607573 805596537 /nfs/dbraw/zinc/59/65/37/805596537.db2.gz QZAPRCBDIJPQSA-NVXWUHKLSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[C@H]1N(C(=O)CC[N@H+]2CC[C@H](F)C2)CCCC1(C)C ZINC001156190859 805664616 /nfs/dbraw/zinc/66/46/16/805664616.db2.gz NHZSIMNVCFCULS-LSDHHAIUSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)c1ccco1 ZINC001156421836 805689081 /nfs/dbraw/zinc/68/90/81/805689081.db2.gz NSQHUVKFWZADDE-HUUCEWRRSA-N 1 1 292.423 3.176 20 30 CGEDMO Cc1c[nH]c2nc[nH+]c(NC(C)(C)c3ccc(C#N)cc3)c12 ZINC001156428811 805690454 /nfs/dbraw/zinc/69/04/54/805690454.db2.gz BGLFCFDVMJCNDN-UHFFFAOYSA-N 1 1 291.358 3.485 20 30 CGEDMO N#Cc1ccccc1-c1cccc(C[NH+]2CCOCC2)c1 ZINC001250580290 805705752 /nfs/dbraw/zinc/70/57/52/805705752.db2.gz QPZMQPSNYNGNAW-UHFFFAOYSA-N 1 1 278.355 3.057 20 30 CGEDMO C[NH+](C)Cc1ccc2nc(Cc3ccc(C#N)cc3)[nH]c2c1 ZINC001250587917 805711509 /nfs/dbraw/zinc/71/15/09/805711509.db2.gz PRIRYQLLHKRQPR-UHFFFAOYSA-N 1 1 290.370 3.087 20 30 CGEDMO Cc1c[nH+]c(NCCc2ccc(C#N)cc2)nc1NC(C)C ZINC001156831074 805738266 /nfs/dbraw/zinc/73/82/66/805738266.db2.gz NUGFJVUBELGQAS-UHFFFAOYSA-N 1 1 295.390 3.132 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)CC(C)(C)C ZINC001157047307 805768763 /nfs/dbraw/zinc/76/87/63/805768763.db2.gz QBJPYGOJHQOWLD-OAHLLOKOSA-N 1 1 294.483 3.299 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)CCCC1CCCC1 ZINC001157183905 805788199 /nfs/dbraw/zinc/78/81/99/805788199.db2.gz CXAHOEGNBHNWRG-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)CC1CC1 ZINC001157422006 805809602 /nfs/dbraw/zinc/80/96/02/805809602.db2.gz GBWTWXPUECGZMJ-DOTOQJQBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1cccc(C)c1 ZINC001157498613 805824979 /nfs/dbraw/zinc/82/49/79/805824979.db2.gz AWWPKNCYIGDQAJ-QGZVFWFLSA-N 1 1 286.419 3.108 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)/C(C)=C/CC ZINC001157630233 805844761 /nfs/dbraw/zinc/84/47/61/805844761.db2.gz JWLZVDWAQOKPEZ-AAGJOFLKSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C(C)=C1CCC1 ZINC001157919363 805902044 /nfs/dbraw/zinc/90/20/44/805902044.db2.gz DPJBOSVIEFHSCG-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CC1 ZINC001158019108 805915204 /nfs/dbraw/zinc/91/52/04/805915204.db2.gz QBYWCCTVJDMBIA-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C#CCCCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)C(C)C ZINC001158316098 805936806 /nfs/dbraw/zinc/93/68/06/805936806.db2.gz AFYWWMSAQAFREH-QGZVFWFLSA-N 1 1 292.467 3.291 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](F)C(C)C ZINC001158350915 805945354 /nfs/dbraw/zinc/94/53/54/805945354.db2.gz ZMMBXVYMPKBYKA-CVEARBPZSA-N 1 1 298.446 3.260 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)C(C)C ZINC001158553932 805965408 /nfs/dbraw/zinc/96/54/08/805965408.db2.gz DHPSJPUGFLNBQD-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCCCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CCC ZINC001252038961 805979548 /nfs/dbraw/zinc/97/95/48/805979548.db2.gz IZNGBAOTONBJGW-INIZCTEOSA-N 1 1 280.456 3.456 20 30 CGEDMO CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)CC(C)C ZINC001158673794 805982546 /nfs/dbraw/zinc/98/25/46/805982546.db2.gz OKMWPQVDGPUYNK-IAGOWNOFSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCC1(C)CC1 ZINC001158689755 805986603 /nfs/dbraw/zinc/98/66/03/805986603.db2.gz QWDQYEDVFMSJES-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCCC(=O)[C@H](C)C1 ZINC001252123617 806011671 /nfs/dbraw/zinc/01/16/71/806011671.db2.gz KGDSOVQIIKPYLF-CVEARBPZSA-N 1 1 283.456 3.399 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+]1CCC(=O)C[C@H]1C ZINC001252123547 806011708 /nfs/dbraw/zinc/01/17/08/806011708.db2.gz IXKFBWVQBHTGRV-ZBFHGGJFSA-N 1 1 269.429 3.151 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC(=O)C[C@H]1C ZINC001252123547 806011716 /nfs/dbraw/zinc/01/17/16/806011716.db2.gz IXKFBWVQBHTGRV-ZBFHGGJFSA-N 1 1 269.429 3.151 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1C[C@@H](CO)CC[C@@H]1C ZINC001252125508 806012525 /nfs/dbraw/zinc/01/25/25/806012525.db2.gz ZRRWTGPPWSGGPI-ULQDDVLXSA-N 1 1 285.472 3.191 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001252125809 806012838 /nfs/dbraw/zinc/01/28/38/806012838.db2.gz HDQIWUAVJXXLCV-VGWMRTNUSA-N 1 1 271.420 3.388 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@H](N(C)C)C1 ZINC001252127537 806013102 /nfs/dbraw/zinc/01/31/02/806013102.db2.gz BFEAFHKMCAKBSH-DLBZAZTESA-N 1 1 284.488 3.124 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@H](N(C)C)C1 ZINC001252127537 806013110 /nfs/dbraw/zinc/01/31/10/806013110.db2.gz BFEAFHKMCAKBSH-DLBZAZTESA-N 1 1 284.488 3.124 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCN2CCCC[C@H]2C1 ZINC001252128187 806013253 /nfs/dbraw/zinc/01/32/53/806013253.db2.gz JYKGPIIVIAPIMR-ROUUACIJSA-N 1 1 296.499 3.268 20 30 CGEDMO CCCCCCCC[C@H](O)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC001252128187 806013260 /nfs/dbraw/zinc/01/32/60/806013260.db2.gz JYKGPIIVIAPIMR-ROUUACIJSA-N 1 1 296.499 3.268 20 30 CGEDMO CCCCCCCC[C@H](O)CN1CC[N@H+]2CCCC[C@H]2C1 ZINC001252128187 806013269 /nfs/dbraw/zinc/01/32/69/806013269.db2.gz JYKGPIIVIAPIMR-ROUUACIJSA-N 1 1 296.499 3.268 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCCC[C@@](C)(O)C1 ZINC001252124318 806014072 /nfs/dbraw/zinc/01/40/72/806014072.db2.gz QSPWUJAPGZGTMN-DLBZAZTESA-N 1 1 285.472 3.335 20 30 CGEDMO CCCCCCCC[C@H](O)C[NH2+][C@H]1CCN(C)C[C@H]1C ZINC001252141956 806025194 /nfs/dbraw/zinc/02/51/94/806025194.db2.gz QTROEQFTWMQMIB-IKGGRYGDSA-N 1 1 284.488 3.028 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)C(C)(C)F)CC1 ZINC001159046181 806034922 /nfs/dbraw/zinc/03/49/22/806034922.db2.gz BEGPOLDMBBVWDX-AWEZNQCLSA-N 1 1 296.430 3.228 20 30 CGEDMO C=C(Cl)C[N@H+]1CC=C(CCNC(=O)C2CCCC2)CC1 ZINC001159027510 806034968 /nfs/dbraw/zinc/03/49/68/806034968.db2.gz KLVKILMQOVUPSP-UHFFFAOYSA-N 1 1 296.842 3.068 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)C2CCCC2)CC1 ZINC001159027510 806034977 /nfs/dbraw/zinc/03/49/77/806034977.db2.gz KLVKILMQOVUPSP-UHFFFAOYSA-N 1 1 296.842 3.068 20 30 CGEDMO C=CCCCCC[N@@H+]1CC=C(CCNC(=O)C2CC2)CC1 ZINC001159053060 806036826 /nfs/dbraw/zinc/03/68/26/806036826.db2.gz UHIPTRGRJJDCBE-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC001252554789 806062642 /nfs/dbraw/zinc/06/26/42/806062642.db2.gz LTRAWBWUOKUJBX-GJZGRUSLSA-N 1 1 265.784 3.414 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1CCC[C@@H]1c1ccc(Cl)s1 ZINC001252554998 806064126 /nfs/dbraw/zinc/06/41/26/806064126.db2.gz NQPOQVZNIOSGID-MFKMUULPSA-N 1 1 271.813 3.475 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1CCC[C@H]1c1ccc(Cl)s1 ZINC001252554996 806064618 /nfs/dbraw/zinc/06/46/18/806064618.db2.gz NQPOQVZNIOSGID-GWCFXTLKSA-N 1 1 271.813 3.475 20 30 CGEDMO C=C[C@@](C)(O)C[N@@H+](CC)Cc1cccc(Cl)c1 ZINC001252559270 806065588 /nfs/dbraw/zinc/06/55/88/806065588.db2.gz UVJNNYHWRMGYDI-CQSZACIVSA-N 1 1 253.773 3.099 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)C(C)C)CC1 ZINC001159306661 806077902 /nfs/dbraw/zinc/07/79/02/806077902.db2.gz QSQWXAYVPYTWJA-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC001252978988 806143948 /nfs/dbraw/zinc/14/39/48/806143948.db2.gz HTZVEGNQZDYRBV-ULQDDVLXSA-N 1 1 285.472 3.191 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC001252983000 806147054 /nfs/dbraw/zinc/14/70/54/806147054.db2.gz PIDDGCCRZCDDOB-YESZJQIVSA-N 1 1 283.456 3.351 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[N@H+]1CCO[C@@H]2C[C@@H]21 ZINC001252983000 806147056 /nfs/dbraw/zinc/14/70/56/806147056.db2.gz PIDDGCCRZCDDOB-YESZJQIVSA-N 1 1 283.456 3.351 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CO2 ZINC001252986996 806148482 /nfs/dbraw/zinc/14/84/82/806148482.db2.gz ZDUPOIPJSQVCOL-BBWFWOEESA-N 1 1 283.456 3.351 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)C2CC2)CC1 ZINC001159725992 806161937 /nfs/dbraw/zinc/16/19/37/806161937.db2.gz QODNFFFVQGCRRT-HNNXBMFYSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCCCCCC[C@H](O)CNc1[nH+]cnc2[nH]ccc21 ZINC001253232460 806187491 /nfs/dbraw/zinc/18/74/91/806187491.db2.gz OFIJDAYARDSGGY-ZDUSSCGKSA-N 1 1 288.395 3.257 20 30 CGEDMO COc1ccc2[nH+]c(NCCCS)cc(C)c2c1 ZINC001159869402 806187761 /nfs/dbraw/zinc/18/77/61/806187761.db2.gz BQIAGEBJAVJLJP-UHFFFAOYSA-N 1 1 262.378 3.284 20 30 CGEDMO C=CCCCCCC[C@@H](O)CN1CCC[N@H+]2CCC[C@H]2C1 ZINC001253239750 806189744 /nfs/dbraw/zinc/18/97/44/806189744.db2.gz RTNJLOXGZKHTLR-ZWKOTPCHSA-N 1 1 294.483 3.044 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC001253238563 806190006 /nfs/dbraw/zinc/19/00/06/806190006.db2.gz CZXZQSMZHLFUGA-ARFHVFGLSA-N 1 1 251.414 3.358 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CC[C@H](N2CCCC2)C1 ZINC001253239994 806190097 /nfs/dbraw/zinc/19/00/97/806190097.db2.gz WVYGMHVNHTXQSR-ZWKOTPCHSA-N 1 1 294.483 3.044 20 30 CGEDMO C=CCCCCCC[C@@H](O)CN1CC[C@H]([NH+]2CCCC2)C1 ZINC001253239994 806190101 /nfs/dbraw/zinc/19/01/01/806190101.db2.gz WVYGMHVNHTXQSR-ZWKOTPCHSA-N 1 1 294.483 3.044 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CCOC[C@@H]1C(C)C ZINC001253240402 806190126 /nfs/dbraw/zinc/19/01/26/806190126.db2.gz KPOVCBUNUZIVPW-DLBZAZTESA-N 1 1 283.456 3.231 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1CCN(C(C)C)[C@@H](C)C1 ZINC001253242376 806192697 /nfs/dbraw/zinc/19/26/97/806192697.db2.gz JSTGARKGRACFGY-ZWKOTPCHSA-N 1 1 296.499 3.288 20 30 CGEDMO C=CCCCCCC[C@@H](O)CN1CC[N@@H+](C(C)C)[C@@H](C)C1 ZINC001253242376 806192703 /nfs/dbraw/zinc/19/27/03/806192703.db2.gz JSTGARKGRACFGY-ZWKOTPCHSA-N 1 1 296.499 3.288 20 30 CGEDMO C=CCCCCCC[C@@H](O)CN1CC[N@H+](C(C)C)[C@@H](C)C1 ZINC001253242376 806192706 /nfs/dbraw/zinc/19/27/06/806192706.db2.gz JSTGARKGRACFGY-ZWKOTPCHSA-N 1 1 296.499 3.288 20 30 CGEDMO N#Cc1c[nH]c2cc[nH+]c(N[C@@H]3CCc4c3cccc4C#N)c12 ZINC001159916633 806198286 /nfs/dbraw/zinc/19/82/86/806198286.db2.gz PVDRAWHKMHOMLK-OAHLLOKOSA-N 1 1 299.337 3.406 20 30 CGEDMO Cc1[nH+]c(NCc2cccc3ncoc32)ccc1CC#N ZINC001160256622 806243767 /nfs/dbraw/zinc/24/37/67/806243767.db2.gz YJNSPTUTIYLRSO-UHFFFAOYSA-N 1 1 278.315 3.209 20 30 CGEDMO C#CCOCC[N@H+](C)[C@@H](CC)c1ccc(Cl)cc1 ZINC001253749720 806296736 /nfs/dbraw/zinc/29/67/36/806296736.db2.gz LGFIXFXYQSYDBQ-HNNXBMFYSA-N 1 1 265.784 3.373 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)C2(C)CCCC2)CC1 ZINC001160816167 806307108 /nfs/dbraw/zinc/30/71/08/806307108.db2.gz KTONHCBLTGDHOJ-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO CC(C)c1ccc(NCc2cncc(C#N)c2)[nH+]c1 ZINC001160995685 806335002 /nfs/dbraw/zinc/33/50/02/806335002.db2.gz UHBYUTLPRGIVLF-UHFFFAOYSA-N 1 1 252.321 3.084 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)c2c(C)cccc2C)CC1 ZINC001161301192 806363687 /nfs/dbraw/zinc/36/36/87/806363687.db2.gz NUTLDUXTDUXWNC-UHFFFAOYSA-N 1 1 298.430 3.241 20 30 CGEDMO N#CC1(c2ccc(F)cc2)CCC([N@H+]2C[C@@H]3C[C@@H]3C2)CC1 ZINC001254354364 806383322 /nfs/dbraw/zinc/38/33/22/806383322.db2.gz QZRHJYHLKKABJT-MWABVPJASA-N 1 1 284.378 3.481 20 30 CGEDMO C=CCOc1ccccc1[C@@H](C)N[C@@H]1CCC[N@@H+](C)CC1 ZINC001254507258 806427104 /nfs/dbraw/zinc/42/71/04/806427104.db2.gz AFBLEWHWINYXHG-HZPDHXFCSA-N 1 1 288.435 3.386 20 30 CGEDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CC#N)C1 ZINC001254558491 806449540 /nfs/dbraw/zinc/44/95/40/806449540.db2.gz BTBDNCNRPNQPBM-UONOGXRCSA-N 1 1 287.363 3.151 20 30 CGEDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C#N)CC1 ZINC001254559488 806449684 /nfs/dbraw/zinc/44/96/84/806449684.db2.gz KBYNKSCNCZNKRF-UONOGXRCSA-N 1 1 287.363 3.151 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+]([C@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC001254556462 806449922 /nfs/dbraw/zinc/44/99/22/806449922.db2.gz KUAUZGMIGASBDO-CHWSQXEVSA-N 1 1 278.396 3.310 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+]([C@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC001254556462 806449926 /nfs/dbraw/zinc/44/99/26/806449926.db2.gz KUAUZGMIGASBDO-CHWSQXEVSA-N 1 1 278.396 3.310 20 30 CGEDMO N#C[C@H]1CC[C@H]([NH2+]Cc2c(F)ccc(F)c2Cl)C1 ZINC001254637465 806467175 /nfs/dbraw/zinc/46/71/75/806467175.db2.gz QWUCMCCZHAJXAH-IUCAKERBSA-N 1 1 270.710 3.400 20 30 CGEDMO N#C[C@@H]1CC[C@H](NC2CC[NH+](C[C@@H]3CC=CCC3)CC2)C1 ZINC001254654191 806475712 /nfs/dbraw/zinc/47/57/12/806475712.db2.gz SJDKUWALXLUCQS-NUJGCVRESA-N 1 1 287.451 3.089 20 30 CGEDMO COc1ccccc1[C@H](C)[N@@H+](C)[C@@H]1CC[C@H](C#N)C1 ZINC001254668223 806480094 /nfs/dbraw/zinc/48/00/94/806480094.db2.gz FLRXYRSYCBCLOA-MELADBBJSA-N 1 1 258.365 3.380 20 30 CGEDMO N#Cc1ccccc1O[C@@H]1CCC[N@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC001254671433 806481024 /nfs/dbraw/zinc/48/10/24/806481024.db2.gz REKPYOGBOHBWOE-HYVNUMGLSA-N 1 1 295.386 3.094 20 30 CGEDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@H]1CC[C@H](C#N)C1 ZINC001254676672 806485033 /nfs/dbraw/zinc/48/50/33/806485033.db2.gz MZMFEUOFJIZZMU-RDJZCZTQSA-N 1 1 271.408 3.267 20 30 CGEDMO CCCCCCCC[N@@H+](CCN)[C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254929618 806512101 /nfs/dbraw/zinc/51/21/01/806512101.db2.gz VPKNJEYOGSRROM-FVQHAEBGSA-N 1 1 294.483 3.365 20 30 CGEDMO CCCCCCCCN(CC[NH3+])[C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254929618 806512106 /nfs/dbraw/zinc/51/21/06/806512106.db2.gz VPKNJEYOGSRROM-FVQHAEBGSA-N 1 1 294.483 3.365 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1cccc(OC)c1C(F)(F)F ZINC001255155249 806556908 /nfs/dbraw/zinc/55/69/08/806556908.db2.gz NBQLHHZRGKPFFC-LLVKDONJSA-N 1 1 286.297 3.496 20 30 CGEDMO C[N@H+]1CCC[C@](C)(Nc2nccc3ccc(C#N)cc32)C1 ZINC001162340505 806558259 /nfs/dbraw/zinc/55/82/59/806558259.db2.gz CWYMICQNEMKQGO-KRWDZBQOSA-N 1 1 280.375 3.003 20 30 CGEDMO C[N@H+]1CCC[C@@](C)(Nc2nc(Cl)cc(Cl)c2C#N)C1 ZINC001162338619 806558269 /nfs/dbraw/zinc/55/82/69/806558269.db2.gz COOLXHLBQXEJMZ-CYBMUJFWSA-N 1 1 299.205 3.156 20 30 CGEDMO CC[C@H](CC#N)[N@H+]1CC[C@H](c2ccccc2OC)C1 ZINC001255164335 806562074 /nfs/dbraw/zinc/56/20/74/806562074.db2.gz JOURMCAIXOJOIG-UONOGXRCSA-N 1 1 258.365 3.177 20 30 CGEDMO CC[C@H](CC#N)[NH2+][C@H](C(=O)Nc1ccc(F)cc1)C(C)C ZINC001255160623 806560380 /nfs/dbraw/zinc/56/03/80/806560380.db2.gz MYGRZHBCTSOWOU-HIFRSBDPSA-N 1 1 291.370 3.071 20 30 CGEDMO CC[C@@H](CC#N)[NH2+][C@@H]1CCCc2ccc(C(=O)OC)cc21 ZINC001255162194 806560759 /nfs/dbraw/zinc/56/07/59/806560759.db2.gz JRNHHSFJZAOZCS-GOEBONIOSA-N 1 1 286.375 3.132 20 30 CGEDMO CCCC[N@@H+](CCC#N)[C@@H]1CCC[C@H](C(=O)OCC)C1 ZINC001255367026 806626776 /nfs/dbraw/zinc/62/67/76/806626776.db2.gz KPEKVHOLODVFGL-LSDHHAIUSA-N 1 1 280.412 3.124 20 30 CGEDMO N#CCCCC[NH2+][C@H]1CCCN(Cc2ccccc2)CC1 ZINC001255385094 806630444 /nfs/dbraw/zinc/63/04/44/806630444.db2.gz DSJRDVZUKPTORB-SFHVURJKSA-N 1 1 285.435 3.325 20 30 CGEDMO C=CCn1ccc2c1nc[nH+]c2NC[C@H]1CCC(F)(F)C1 ZINC001162645895 806636262 /nfs/dbraw/zinc/63/62/62/806636262.db2.gz CKUFTTKGIXEUMU-NSHDSACASA-N 1 1 292.333 3.465 20 30 CGEDMO CC(C)(C)C(=[NH2+])Nc1ccc(C#N)c(C(F)(F)F)n1 ZINC001162657949 806642731 /nfs/dbraw/zinc/64/27/31/806642731.db2.gz XEPJBCQBNLVYIG-UHFFFAOYSA-N 1 1 270.258 3.407 20 30 CGEDMO C[C@@H](CC(F)(F)F)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC001255646042 806692134 /nfs/dbraw/zinc/69/21/34/806692134.db2.gz LVUYXJGDALHWEP-LBPRGKRZSA-N 1 1 297.324 3.021 20 30 CGEDMO CCCCC(N)=[NH+]OCC(=O)Nc1ccc2ccccc2c1 ZINC000149035043 799052413 /nfs/dbraw/zinc/05/24/13/799052413.db2.gz WLBVDFCZFYOFFZ-UHFFFAOYSA-N 1 1 299.374 3.257 20 30 CGEDMO CC[C@@H]1CC[C@H](C)[N@@H+](CCOc2ccccc2C#N)C1 ZINC000312405390 799227672 /nfs/dbraw/zinc/22/76/72/799227672.db2.gz PSLZDAPSUPIHDI-LSDHHAIUSA-N 1 1 272.392 3.448 20 30 CGEDMO COc1cccc2c1OC[C@@H]2Nc1ccc(CC#N)c(C)[nH+]1 ZINC001163228305 806730826 /nfs/dbraw/zinc/73/08/26/806730826.db2.gz DMFJRHFJZAMVES-AWEZNQCLSA-N 1 1 295.342 3.010 20 30 CGEDMO Cc1ccc(C[C@H](C)[N@H+]2CCC3SC(=O)C=C3C2)cc1 ZINC001255787418 806751113 /nfs/dbraw/zinc/75/11/13/806751113.db2.gz KGZGFESZXVWBBI-BBRMVZONSA-N 1 1 287.428 3.200 20 30 CGEDMO CC[C@H](CC#N)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000398038975 799525216 /nfs/dbraw/zinc/52/52/16/799525216.db2.gz RAUIRGBXMFZUHX-CGTJXYLNSA-N 1 1 285.435 3.179 20 30 CGEDMO C=C(C)CNc1cc[nH+]c(NC(=O)OC(C)(C)C)c1 ZINC001163378863 806754463 /nfs/dbraw/zinc/75/44/63/806754463.db2.gz UPSIXQPEKGWUGF-UHFFFAOYSA-N 1 1 263.341 3.417 20 30 CGEDMO CC(=O)Nc1cccc([C@H](C)[NH2+]CC2(C#N)CCCC2)c1 ZINC000405135184 799581477 /nfs/dbraw/zinc/58/14/77/799581477.db2.gz ANVZECJLKYVOJI-ZDUSSCGKSA-N 1 1 285.391 3.380 20 30 CGEDMO C[C@@H](C[N@@H+](C)Cc1cccc(C#N)c1)C(F)(F)F ZINC000441158043 799615977 /nfs/dbraw/zinc/61/59/77/799615977.db2.gz OYLQMTPKSFVSFW-JTQLQIEISA-N 1 1 256.271 3.188 20 30 CGEDMO C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CCC#N ZINC000449288790 799621234 /nfs/dbraw/zinc/62/12/34/799621234.db2.gz ODDOLRIUKJCPJN-SECBINFHSA-N 1 1 273.163 3.264 20 30 CGEDMO C[C@@H](Cc1ccccc1F)[N@H+]1CCC[C@@H](CC#N)C1 ZINC001255851834 806769308 /nfs/dbraw/zinc/76/93/08/806769308.db2.gz XNNLIKLKLMCTIG-KBPBESRZSA-N 1 1 260.356 3.382 20 30 CGEDMO N#Cc1ccc(C[NH+]2CCC(F)CC2)c(Cl)c1 ZINC000689904310 799770486 /nfs/dbraw/zinc/77/04/86/799770486.db2.gz KIFIWHYDIQNGTH-UHFFFAOYSA-N 1 1 252.720 3.146 20 30 CGEDMO CC[N@@H+](C[C@H](C)C#N)C[C@H]1CC(C)(C)OC1(C)C ZINC000711277225 800051215 /nfs/dbraw/zinc/05/12/15/800051215.db2.gz HCDCXACDLSIHKF-CHWSQXEVSA-N 1 1 252.402 3.062 20 30 CGEDMO CCCCCCCC[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000719069210 800231422 /nfs/dbraw/zinc/23/14/22/800231422.db2.gz XUIVFCDQQXGFFS-HNNXBMFYSA-N 1 1 269.429 3.432 20 30 CGEDMO C#Cc1ccc(C[N@H+](CCOC)C2CCCC2)cc1 ZINC000809548055 800444912 /nfs/dbraw/zinc/44/49/12/800444912.db2.gz ZRDTUJZGKRJOKF-UHFFFAOYSA-N 1 1 257.377 3.059 20 30 CGEDMO COCc1ccc(C[N@@H+](C)Cc2cc(C#N)cs2)cc1 ZINC000933770928 800675839 /nfs/dbraw/zinc/67/58/39/800675839.db2.gz AXNHRYNKYVGUFO-UHFFFAOYSA-N 1 1 286.400 3.398 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001023228532 800708029 /nfs/dbraw/zinc/70/80/29/800708029.db2.gz ASOKLZQIGFWOKK-DLBZAZTESA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001023575723 800713137 /nfs/dbraw/zinc/71/31/37/800713137.db2.gz ZLEHYEXGNHROJW-JKSUJKDBSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001023768114 800715047 /nfs/dbraw/zinc/71/50/47/800715047.db2.gz MVBBWIYNJIXXQY-JKSUJKDBSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1C ZINC001024307470 800722849 /nfs/dbraw/zinc/72/28/49/800722849.db2.gz WFGNVZONKIKTKX-MRXNPFEDSA-N 1 1 286.419 3.155 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc(C)cs1 ZINC001024429409 800728287 /nfs/dbraw/zinc/72/82/87/800728287.db2.gz GWCREJNEEHCHNA-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c(C)coc1C ZINC001024426176 800728564 /nfs/dbraw/zinc/72/85/64/800728564.db2.gz WBHVJIFMZKYFRT-OAHLLOKOSA-N 1 1 290.407 3.057 20 30 CGEDMO C#Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2CCCC)cc1 ZINC001024587149 800730341 /nfs/dbraw/zinc/73/03/41/800730341.db2.gz AUXZOQKRYZVFPF-GOSISDBHSA-N 1 1 298.430 3.052 20 30 CGEDMO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC=CCCC1 ZINC001024506989 800731037 /nfs/dbraw/zinc/73/10/37/800731037.db2.gz QORGDGOVZACHPA-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1occc1Cl ZINC001024636205 800733424 /nfs/dbraw/zinc/73/34/24/800733424.db2.gz PCHJFEPFROFCEI-GFCCVEGCSA-N 1 1 296.798 3.093 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC001024744608 800734704 /nfs/dbraw/zinc/73/47/04/800734704.db2.gz AIVZRXIOPKFWDE-HZPDHXFCSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1csc(C)c1 ZINC001024705567 800734721 /nfs/dbraw/zinc/73/47/21/800734721.db2.gz GJKHPQFCYMTDLA-HNNXBMFYSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1csc(Cl)c1 ZINC001024693069 800735836 /nfs/dbraw/zinc/73/58/36/800735836.db2.gz VOBXVAKBUJWONE-GFCCVEGCSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(F)s1 ZINC001024824646 800737488 /nfs/dbraw/zinc/73/74/88/800737488.db2.gz SJRCZFANVJZAKF-LBPRGKRZSA-N 1 1 296.411 3.048 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC ZINC001025184513 800745295 /nfs/dbraw/zinc/74/52/95/800745295.db2.gz PPYMCISUFFOBCP-CVEARBPZSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(F)=C(C)C ZINC001025214792 800750257 /nfs/dbraw/zinc/75/02/57/800750257.db2.gz FJPVZGPTIKMBNH-CABCVRRESA-N 1 1 294.414 3.281 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1(CC)CC1 ZINC001025266033 800751570 /nfs/dbraw/zinc/75/15/70/800751570.db2.gz ILWMIBMIEZSEAX-HZPDHXFCSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCCC[C@@H]2[C@H]2CCC[N@@H+]2CC)C1 ZINC001025270045 800752806 /nfs/dbraw/zinc/75/28/06/800752806.db2.gz ZVUFEWUSPLNTAO-HZPDHXFCSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2CC=CC2)C1 ZINC001025371647 800758170 /nfs/dbraw/zinc/75/81/70/800758170.db2.gz GTNRUAOUCKHNBD-RDJZCZTQSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2cc(C)cs2)C1 ZINC001027400237 800794826 /nfs/dbraw/zinc/79/48/26/800794826.db2.gz OFDJNWCRMASFLN-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)C2(C)CCCC2)C1 ZINC001027512011 800799702 /nfs/dbraw/zinc/79/97/02/800799702.db2.gz ITNQEMPUJQYUPX-CQSZACIVSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)C2(C)CCCC2)C1 ZINC001027512011 800799707 /nfs/dbraw/zinc/79/97/07/800799707.db2.gz ITNQEMPUJQYUPX-CQSZACIVSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001027532599 800801404 /nfs/dbraw/zinc/80/14/04/800801404.db2.gz CSTWDXRRYLFOQB-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2csc(Cl)c2)C1 ZINC001027601624 800805946 /nfs/dbraw/zinc/80/59/46/800805946.db2.gz FTWQRSLROYUNPH-GFCCVEGCSA-N 1 1 298.839 3.124 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2csc(C)c2)C1 ZINC001027614584 800806576 /nfs/dbraw/zinc/80/65/76/800806576.db2.gz CHFGSAVZLFIPJI-OAHLLOKOSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C2(CC)CCCC2)C1 ZINC001027636110 800807907 /nfs/dbraw/zinc/80/79/07/800807907.db2.gz WRPGUMUWFXNMEE-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H]1CNC(=O)C1=CCCCCC1 ZINC001027842487 800822040 /nfs/dbraw/zinc/82/20/40/800822040.db2.gz HTQMTCSZFHKMGY-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(Cl)c1C ZINC001027898842 800825601 /nfs/dbraw/zinc/82/56/01/800825601.db2.gz PRSONBJSCAPZOB-ZDUSSCGKSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CC[C@H](C)F)CC1 ZINC001028116074 800830955 /nfs/dbraw/zinc/83/09/55/800830955.db2.gz BVGSBVDJBDNQNC-GOEBONIOSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1occc1Cl ZINC001028118882 800832536 /nfs/dbraw/zinc/83/25/36/800832536.db2.gz JCHPYSQNXBLCIM-GFCCVEGCSA-N 1 1 296.798 3.093 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(CC)cc1 ZINC001028295679 800841267 /nfs/dbraw/zinc/84/12/67/800841267.db2.gz LDWOUYSGXWQVQY-QGZVFWFLSA-N 1 1 286.419 3.019 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC=CCCC2)C1 ZINC001028625520 800849982 /nfs/dbraw/zinc/84/99/82/800849982.db2.gz SSGATMHNPCFILY-SJORKVTESA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001028562656 800850389 /nfs/dbraw/zinc/85/03/89/800850389.db2.gz RJABIKXUGFYENE-SJORKVTESA-N 1 1 290.451 3.137 20 30 CGEDMO C=C1CCC(C(=O)NC[C@H]2CC[N@H+](CCC(C)C)C2)CC1 ZINC001028778920 800852478 /nfs/dbraw/zinc/85/24/78/800852478.db2.gz OWUIGQYBZWYNIR-MRXNPFEDSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(C)cc2)C1 ZINC001028949457 800856289 /nfs/dbraw/zinc/85/62/89/800856289.db2.gz KZMOIRNMAXWDGG-INIZCTEOSA-N 1 1 286.419 3.013 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](F)CC ZINC001029420322 800868239 /nfs/dbraw/zinc/86/82/39/800868239.db2.gz XHMFACQWJBNSOA-KFWWJZLASA-N 1 1 296.430 3.012 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](F)CC ZINC001029420322 800868245 /nfs/dbraw/zinc/86/82/45/800868245.db2.gz XHMFACQWJBNSOA-KFWWJZLASA-N 1 1 296.430 3.012 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC1(C)C ZINC001032573845 800930524 /nfs/dbraw/zinc/93/05/24/800930524.db2.gz UIKANKSEWKNGNX-HRCADAONSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CC)cc1 ZINC001032762443 800937176 /nfs/dbraw/zinc/93/71/76/800937176.db2.gz LGYYMDMKPRUHCO-ROUUACIJSA-N 1 1 298.430 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(CC)s2)C1 ZINC001033237770 800956062 /nfs/dbraw/zinc/95/60/62/800956062.db2.gz LSKGZNRZCRGYKM-CYBMUJFWSA-N 1 1 292.448 3.033 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)C2(C)CCCC2)C1 ZINC001033306830 800959534 /nfs/dbraw/zinc/95/95/34/800959534.db2.gz RCYJQJCXXHBLAW-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C=C)cc2)C1 ZINC001033452006 800966235 /nfs/dbraw/zinc/96/62/35/800966235.db2.gz FPWBAFXCUIIPMP-QGZVFWFLSA-N 1 1 284.403 3.052 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(Cl)c2)C1 ZINC001033606308 800969509 /nfs/dbraw/zinc/96/95/09/800969509.db2.gz LFFQTJURWHMKEI-HNNXBMFYSA-N 1 1 292.810 3.062 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)C2(C3CCCCC3)CC2)C1 ZINC001033622831 800971631 /nfs/dbraw/zinc/97/16/31/800971631.db2.gz ATXIMWCXEFMECR-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(C)c2C)C1 ZINC001033631911 800971811 /nfs/dbraw/zinc/97/18/11/800971811.db2.gz XCBNIINJAWGAKQ-MRXNPFEDSA-N 1 1 286.419 3.026 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@]2(C)CCC(C)=C(C)C2)C1 ZINC001033698494 800975473 /nfs/dbraw/zinc/97/54/73/800975473.db2.gz SLQRCYYSFHDKFS-SJLPKXTDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)C2CCC(F)CC2)C1 ZINC001033943408 800991183 /nfs/dbraw/zinc/99/11/83/800991183.db2.gz MHDNGDQCMCWFPH-UYSNPLJNSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)C2CCC=CCC2)C1 ZINC001034043162 800994126 /nfs/dbraw/zinc/99/41/26/800994126.db2.gz XPYFZZPPYMHBMQ-KRWDZBQOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C)cc2)C1 ZINC001034026303 800995672 /nfs/dbraw/zinc/99/56/72/800995672.db2.gz UYDKDDCPUAKEJZ-QGZVFWFLSA-N 1 1 286.419 3.108 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)c2coc(C)c2)C1 ZINC001034182361 801008928 /nfs/dbraw/zinc/00/89/28/801008928.db2.gz BFSKCJMRAFRYJY-MRXNPFEDSA-N 1 1 290.407 3.139 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H](C)C2CCC2)C1 ZINC001034263707 801015052 /nfs/dbraw/zinc/01/50/52/801015052.db2.gz BCASFCMMWMWLQJ-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)C[C@H]2CC=CCC2)C1 ZINC001034351550 801019067 /nfs/dbraw/zinc/01/90/67/801019067.db2.gz JWXUSRCMAGZDKY-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)C2CCC(F)CC2)C1 ZINC001034386837 801022945 /nfs/dbraw/zinc/02/29/45/801022945.db2.gz GJTKHPSWHGNSIP-UYSNPLJNSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2occc2Cl)C1 ZINC001034381038 801023370 /nfs/dbraw/zinc/02/33/70/801023370.db2.gz MWYNMUIILKWKKJ-GFCCVEGCSA-N 1 1 296.798 3.093 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H](C)c2ccsc2)C1 ZINC001034395783 801025094 /nfs/dbraw/zinc/02/50/94/801025094.db2.gz ZEDNPNZKYFPBIJ-UKRRQHHQSA-N 1 1 292.448 3.008 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@@H]21 ZINC001036628013 801084841 /nfs/dbraw/zinc/08/48/41/801084841.db2.gz UJNNLGOIUAEDEA-ROUUACIJSA-N 1 1 298.430 3.189 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C3CCCCC3)CC[C@H]21 ZINC001036628416 801085498 /nfs/dbraw/zinc/08/54/98/801085498.db2.gz AMSQPWYPRXJYNE-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(C)c3)CC[C@@H]21 ZINC001036631079 801085534 /nfs/dbraw/zinc/08/55/34/801085534.db2.gz QFEZGPPORCMMAD-MSOLQXFVSA-N 1 1 298.430 3.108 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CN(C(=O)CCC3CCCC3)CC[C@@H]21 ZINC001036634865 801085715 /nfs/dbraw/zinc/08/57/15/801085715.db2.gz ZWNMOPMYNGNWRU-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CCC3CCC3)CC[C@@H]21 ZINC001036679234 801088926 /nfs/dbraw/zinc/08/89/26/801088926.db2.gz DBTBWTUFIGQZLJ-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3(C)CCCC3)CC[C@@H]21 ZINC001036784287 801089827 /nfs/dbraw/zinc/08/98/27/801089827.db2.gz LSAUZYMLGYYGSC-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)C(=C)C)CC[C@H]21 ZINC001036792126 801091367 /nfs/dbraw/zinc/09/13/67/801091367.db2.gz KNKJUPGJTJQVBB-JKSUJKDBSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)C3(CC)CCC3)CC[C@@H]21 ZINC001036794868 801091490 /nfs/dbraw/zinc/09/14/90/801091490.db2.gz CTDUFBBQUBGFMU-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C)cc3)CC[C@H]21 ZINC001036878360 801092879 /nfs/dbraw/zinc/09/28/79/801092879.db2.gz VQCMZDGQITVTTG-QZTJIDSGSA-N 1 1 298.430 3.108 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1scc(C)c1Cl ZINC001038284209 801123550 /nfs/dbraw/zinc/12/35/50/801123550.db2.gz MWPQFJCJECVHFN-LLVKDONJSA-N 1 1 298.839 3.090 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)c1sc(C)cc1C ZINC001038301982 801125109 /nfs/dbraw/zinc/12/51/09/801125109.db2.gz TWZUOYCSNIXHPU-CQSZACIVSA-N 1 1 292.448 3.135 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)cc(Cl)c1 ZINC001038513981 801126673 /nfs/dbraw/zinc/12/66/73/801126673.db2.gz GPTIEGAFKOAXMF-OAHLLOKOSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)cc(Cl)c1 ZINC001038513981 801126679 /nfs/dbraw/zinc/12/66/79/801126679.db2.gz GPTIEGAFKOAXMF-OAHLLOKOSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CC[N@H+]1CC[C@H]1CNC(=O)c1coc2cc(C)c(C)cc12 ZINC001038559391 801129102 /nfs/dbraw/zinc/12/91/02/801129102.db2.gz XTSUUJIJPJYSDI-AWEZNQCLSA-N 1 1 298.386 3.040 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1coc2cc(C)c(C)cc12 ZINC001038559391 801129107 /nfs/dbraw/zinc/12/91/07/801129107.db2.gz XTSUUJIJPJYSDI-AWEZNQCLSA-N 1 1 298.386 3.040 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)cccc1Cl ZINC001038674648 801130888 /nfs/dbraw/zinc/13/08/88/801130888.db2.gz RVUOPUFLZGJNQM-CYBMUJFWSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(C2CC2)c1 ZINC001039059001 801143971 /nfs/dbraw/zinc/14/39/71/801143971.db2.gz CREXQNZPRHXJPG-SFHVURJKSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)/C(C)=C\C)CC2)C1 ZINC001039120478 801148840 /nfs/dbraw/zinc/14/88/40/801148840.db2.gz AYISBTLKDCINRX-DBCFMDJHSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C(C)C)C1 ZINC001039190407 801151595 /nfs/dbraw/zinc/15/15/95/801151595.db2.gz MBUZEGQHBFXRJX-HUUCEWRRSA-N 1 1 298.858 3.098 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC2(C)CC2)C1 ZINC001039230367 801154524 /nfs/dbraw/zinc/15/45/24/801154524.db2.gz QJJMFDPOBPKJHY-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC1CCC1 ZINC001039352734 801158800 /nfs/dbraw/zinc/15/88/00/801158800.db2.gz FCRZJSNAAOVQOO-SJORKVTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C1CC1 ZINC001039421741 801161263 /nfs/dbraw/zinc/16/12/63/801161263.db2.gz PWVJABPKQCBBCP-CVEARBPZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)CCC)C2)C1 ZINC001040036480 801170262 /nfs/dbraw/zinc/17/02/62/801170262.db2.gz BNLJZKRNZZHSMF-KRWDZBQOSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)CCC3CC3)C2)C1 ZINC001040125046 801173937 /nfs/dbraw/zinc/17/39/37/801173937.db2.gz ZPKLEHOSAIINLM-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C3(C)CCCC3)C2)C1 ZINC001040318950 801175300 /nfs/dbraw/zinc/17/53/00/801175300.db2.gz AHRXNDNQNMWLGM-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)CC(C)(C)C)C2)C1 ZINC001041052351 801184707 /nfs/dbraw/zinc/18/47/07/801184707.db2.gz PXJOPWSVNVLSQU-INIZCTEOSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)CC(C)(C)C)C2)C1 ZINC001041052351 801184715 /nfs/dbraw/zinc/18/47/15/801184715.db2.gz PXJOPWSVNVLSQU-INIZCTEOSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)C(C)C)C2)C1 ZINC001041322453 801187864 /nfs/dbraw/zinc/18/78/64/801187864.db2.gz QJIKRUCPTCRPSE-GOSISDBHSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)CCC3CCC3)C[C@@H]21 ZINC001041999376 801199362 /nfs/dbraw/zinc/19/93/62/801199362.db2.gz GCZXOHHORHOHCY-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C1CCC(C(=O)N2CC[C@H]3CC[N@H+](CCC)[C@@H]3C2)CC1 ZINC001042217229 801204038 /nfs/dbraw/zinc/20/40/38/801204038.db2.gz WDPQZRJZQYYRJZ-NVXWUHKLSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC(C)C)C2 ZINC001045909165 801292177 /nfs/dbraw/zinc/29/21/77/801292177.db2.gz JWBZFECHMPFWTC-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)c2cc(C)c(C)o2)C1 ZINC001046243796 801305362 /nfs/dbraw/zinc/30/53/62/801305362.db2.gz FXVZKCUPFHQESJ-QGZVFWFLSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001046320401 801307792 /nfs/dbraw/zinc/30/77/92/801307792.db2.gz IRYXJIIAFFGPKZ-WBVHZDCISA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)c2sc(C)cc2C)C1 ZINC001046348064 801310187 /nfs/dbraw/zinc/31/01/87/801310187.db2.gz GXBRWTDPAOQEHB-MRXNPFEDSA-N 1 1 292.448 3.135 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)c2cscc2Cl)C1 ZINC001046403934 801310639 /nfs/dbraw/zinc/31/06/39/801310639.db2.gz STYVAWWVXSJOOJ-CQSZACIVSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)C2CCCCCCC2)C1 ZINC001046470333 801311228 /nfs/dbraw/zinc/31/12/28/801311228.db2.gz JNCCVBNQCOMKQB-QGZVFWFLSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C1CCC(C(=O)N[C@]2(C)CC[N@H+](C[C@H](F)CC)C2)CC1 ZINC001046594935 801315634 /nfs/dbraw/zinc/31/56/34/801315634.db2.gz SHDMSBFWMXMGBZ-NVXWUHKLSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(C3CCC3)c2)C1 ZINC001046771332 801322602 /nfs/dbraw/zinc/32/26/02/801322602.db2.gz OTEVIJXIYQIXGU-LJQANCHMSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC(C)C ZINC001049292265 801361412 /nfs/dbraw/zinc/36/14/12/801361412.db2.gz MAXHFNCXIYHXBQ-HZPDHXFCSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(CC)CC ZINC001049342746 801367090 /nfs/dbraw/zinc/36/70/90/801367090.db2.gz GGGBFEUEQZILTJ-HZPDHXFCSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC(C)(C)C1 ZINC001049455240 801372548 /nfs/dbraw/zinc/37/25/48/801372548.db2.gz YLFYWDMXDBYJKQ-CVEARBPZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC(C)(C)C1 ZINC001049455243 801373973 /nfs/dbraw/zinc/37/39/73/801373973.db2.gz YLFYWDMXDBYJKQ-JKSUJKDBSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1=CCCCCC1 ZINC001049446645 801374411 /nfs/dbraw/zinc/37/44/11/801374411.db2.gz YAWDXHSGCOVNBH-SJORKVTESA-N 1 1 288.435 3.128 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)C1CCC1 ZINC001049546832 801376460 /nfs/dbraw/zinc/37/64/60/801376460.db2.gz UFYCIJVNRVVYKM-USXIJHARSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)C(=C)C ZINC001049635783 801379180 /nfs/dbraw/zinc/37/91/80/801379180.db2.gz WFKKJWUASKCYQO-JKSUJKDBSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2C/C=C/Cl ZINC001049637166 801379874 /nfs/dbraw/zinc/37/98/74/801379874.db2.gz FWCJYVDBRHXFHZ-VAIDBEGPSA-N 1 1 296.842 3.016 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@H](F)CC ZINC001049643043 801380328 /nfs/dbraw/zinc/38/03/28/801380328.db2.gz CDWYHVCIAWVWAG-KFWWJZLASA-N 1 1 296.430 3.012 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)C1CC1 ZINC001049660472 801383145 /nfs/dbraw/zinc/38/31/45/801383145.db2.gz NRKGSLOMZTVTLX-HOTGVXAUSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CC(C)C)C1 ZINC001049701539 801386143 /nfs/dbraw/zinc/38/61/43/801386143.db2.gz FGDOARBRGLXSJZ-CVEARBPZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1CCC ZINC001049702754 801387327 /nfs/dbraw/zinc/38/73/27/801387327.db2.gz NUAMDVUUWYGKFC-VQHPVUNQSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)c1ccccc1 ZINC001049860283 801390321 /nfs/dbraw/zinc/39/03/21/801390321.db2.gz RTUKKKSPCSGMNL-BPQIPLTHSA-N 1 1 298.430 3.041 20 30 CGEDMO C[C@H]1C[C@H](NC2=CC(=O)CCC2)CC[N@H+]1Cc1ccccc1 ZINC001256524005 806909175 /nfs/dbraw/zinc/90/91/75/806909175.db2.gz RUUUQVNLTPLLDU-MAUKXSAKSA-N 1 1 298.430 3.266 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C[C@H]2C=CCC2)CC1 ZINC001052187765 801424415 /nfs/dbraw/zinc/42/44/15/801424415.db2.gz PHRKMBQSZVZQPD-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)CC2=CCCCC2)CC1 ZINC001052258681 801428764 /nfs/dbraw/zinc/42/87/64/801428764.db2.gz SXHFCNMKRCEJEW-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)C2CC3(CCC3)C2)CC1 ZINC001052631050 801442632 /nfs/dbraw/zinc/44/26/32/801442632.db2.gz MTCBSZPHWGOEMR-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CC)CC1 ZINC001052664675 801444138 /nfs/dbraw/zinc/44/41/38/801444138.db2.gz OYWYRGLKBMLLDR-MRXNPFEDSA-N 1 1 286.419 3.019 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+](C(C)C)CC2)CC1 ZINC001052678058 801445092 /nfs/dbraw/zinc/44/50/92/801445092.db2.gz SWHSXUFOWIMHLO-MRXNPFEDSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](C[C@@H](C)CC)CC2)C1 ZINC001052690795 801446852 /nfs/dbraw/zinc/44/68/52/801446852.db2.gz PPYPGFXSXIUCCR-HOCLYGCPSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)CC1 ZINC001052729533 801449046 /nfs/dbraw/zinc/44/90/46/801449046.db2.gz WRZLTGWLCQUONI-BRWVUGGUSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(Cl)cs2)CC1 ZINC001052762914 801451842 /nfs/dbraw/zinc/45/18/42/801451842.db2.gz BMHJBVKFEIQKOV-GFCCVEGCSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCC2(C)C)CC1 ZINC001052963978 801457402 /nfs/dbraw/zinc/45/74/02/801457402.db2.gz DJVPWYIVGVQMLY-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C2CCC=CCC2)CC1 ZINC001052942955 801458362 /nfs/dbraw/zinc/45/83/62/801458362.db2.gz HVNZAIOIFPHYBR-QGZVFWFLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC(C)C)C2 ZINC001054075396 801469606 /nfs/dbraw/zinc/46/96/06/801469606.db2.gz IRHPKWNSPXKYLC-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCC)C2 ZINC001054072992 801470656 /nfs/dbraw/zinc/47/06/56/801470656.db2.gz IENRKYKYYTUCBG-KRWDZBQOSA-N 1 1 278.440 3.067 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@]2(CC[N@H+](C(C)C)C2)C1 ZINC001054175202 801477994 /nfs/dbraw/zinc/47/79/94/801477994.db2.gz JIFWTCFUGDJJQD-GOSISDBHSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)c3cccs3)cc2C1 ZINC001054253693 801482411 /nfs/dbraw/zinc/48/24/11/801482411.db2.gz HLHNRRYHBGZBRS-UHFFFAOYSA-N 1 1 298.411 3.180 20 30 CGEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)c3cccs3)cc2C1 ZINC001054253693 801482417 /nfs/dbraw/zinc/48/24/17/801482417.db2.gz HLHNRRYHBGZBRS-UHFFFAOYSA-N 1 1 298.411 3.180 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc(C)oc2C)CC[C@H]1C ZINC001071333778 801529526 /nfs/dbraw/zinc/52/95/26/801529526.db2.gz BDAVOJFKPODJPH-DOMZBBRYSA-N 1 1 290.407 3.055 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C=C2CCCCC2)CC[C@@H]1C ZINC001071373731 801532744 /nfs/dbraw/zinc/53/27/44/801532744.db2.gz NQXJAAZPORAYCF-RDJZCZTQSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C2C(C)(C)C2(C)C)CC[C@H]1C ZINC001071414682 801534171 /nfs/dbraw/zinc/53/41/71/801534171.db2.gz VQKRIPMDHBLPAD-KGLIPLIRSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc(C)cs2)CC[C@@H]1C ZINC001071477332 801538241 /nfs/dbraw/zinc/53/82/41/801538241.db2.gz MMHJXNBKJFQTPQ-KBPBESRZSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)C2CCC2)CC[C@@H]1C ZINC001071708145 801544426 /nfs/dbraw/zinc/54/44/26/801544426.db2.gz AQIWAUNXXJXAMT-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)C2CC3(CCC3)C2)CC[C@@H]1C ZINC001071740951 801548154 /nfs/dbraw/zinc/54/81/54/801548154.db2.gz CBUKVJDRSJJGTH-GOEBONIOSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CCC3CC3)C2)C1 ZINC001071803668 801553866 /nfs/dbraw/zinc/55/38/66/801553866.db2.gz PUCOPZWEXHAXBU-GOEBONIOSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CCC3CC3)C2)C1 ZINC001071803670 801554896 /nfs/dbraw/zinc/55/48/96/801554896.db2.gz PUCOPZWEXHAXBU-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC3CCC3)C2)C1 ZINC001071803277 801555060 /nfs/dbraw/zinc/55/50/60/801555060.db2.gz JYRTTZBVNIOHBC-HOCLYGCPSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2cc(C)ccc2C)CC[C@@H]1C ZINC001072031002 801561616 /nfs/dbraw/zinc/56/16/16/801561616.db2.gz ZKYZLJSBISKECK-JKSUJKDBSA-N 1 1 286.419 3.072 20 30 CGEDMO C=CCC[N@H+]1CCC2(CN(C(=O)C3CCCCCC3)C2)C1 ZINC001072529832 801572263 /nfs/dbraw/zinc/57/22/63/801572263.db2.gz BTUMFQVYDWYCQK-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)CCC3CCCC3)[C@@H]2C1 ZINC001075508963 801604970 /nfs/dbraw/zinc/60/49/70/801604970.db2.gz GXVBIZNXVMCUEI-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2=CCCCC2)C1 ZINC001079496133 801644323 /nfs/dbraw/zinc/64/43/23/801644323.db2.gz MNJMBBPLRRQVTM-NVXWUHKLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2CCCCCC2)C1 ZINC001080516217 801654120 /nfs/dbraw/zinc/65/41/20/801654120.db2.gz YXSFULVRWXMDGP-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C(C)C)s2)C1 ZINC001081013908 801657011 /nfs/dbraw/zinc/65/70/11/801657011.db2.gz JKZYXRRXIFHMAN-CHWSQXEVSA-N 1 1 292.448 3.108 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1sccc1Cl ZINC001085610850 801695006 /nfs/dbraw/zinc/69/50/06/801695006.db2.gz CNAGHLVMDLKJCV-LLVKDONJSA-N 1 1 298.839 3.124 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1sccc1Cl ZINC001085610850 801695011 /nfs/dbraw/zinc/69/50/11/801695011.db2.gz CNAGHLVMDLKJCV-LLVKDONJSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2occc2c1 ZINC001085610701 801696321 /nfs/dbraw/zinc/69/63/21/801696321.db2.gz ZLMLCFIYWBVCKZ-MRXNPFEDSA-N 1 1 298.386 3.155 20 30 CGEDMO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)C1CCCCCCC1 ZINC001085714533 801700946 /nfs/dbraw/zinc/70/09/46/801700946.db2.gz MVGXLVYUVJEVJI-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CCCCCCC1 ZINC001085714533 801700955 /nfs/dbraw/zinc/70/09/55/801700955.db2.gz MVGXLVYUVJEVJI-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C=C)cc1 ZINC001085833881 801707336 /nfs/dbraw/zinc/70/73/36/801707336.db2.gz WAKLMCODHDYJMZ-QGZVFWFLSA-N 1 1 284.403 3.052 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1oc2ccccc2c1C ZINC001085959819 801714934 /nfs/dbraw/zinc/71/49/34/801714934.db2.gz MVHHFODMZGLGMD-CQSZACIVSA-N 1 1 298.386 3.074 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1oc2ccccc2c1C ZINC001085959819 801714938 /nfs/dbraw/zinc/71/49/38/801714938.db2.gz MVHHFODMZGLGMD-CQSZACIVSA-N 1 1 298.386 3.074 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C2CC2)cc1 ZINC001085982946 801716782 /nfs/dbraw/zinc/71/67/82/801716782.db2.gz VESOZMCIKVOAGS-SFHVURJKSA-N 1 1 298.430 3.286 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC(C)(C)C1 ZINC001085990553 801716863 /nfs/dbraw/zinc/71/68/63/801716863.db2.gz SGSNTTTVWKHDAC-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C)s2)[C@H]1CC ZINC001087487064 801750802 /nfs/dbraw/zinc/75/08/02/801750802.db2.gz MECGQHZUEZEPOC-UONOGXRCSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC=CCC2)[C@H]1CC ZINC001087688582 801762772 /nfs/dbraw/zinc/76/27/72/801762772.db2.gz MWAFUAGOCOXYRB-IXDOHACOSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)[C@H]1CC ZINC001087717243 801763506 /nfs/dbraw/zinc/76/35/06/801763506.db2.gz XMTBGYIUAWGKRR-OWCLPIDISA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2csc(C)c2)[C@H]1CC ZINC001087762753 801766269 /nfs/dbraw/zinc/76/62/69/801766269.db2.gz LMJXAWSCLUHRCM-LSDHHAIUSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC23CCC3)[C@H]1CC ZINC001087742946 801766665 /nfs/dbraw/zinc/76/66/65/801766665.db2.gz HQSHODQKFVDNAV-HRCADAONSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2sccc2F)[C@H]1C ZINC001088554362 801802150 /nfs/dbraw/zinc/80/21/50/801802150.db2.gz GNFVHFLDFJRANG-YPMHNXCESA-N 1 1 296.411 3.046 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2CCC3(CC3)CC2)[C@H]1C ZINC001088751502 801806353 /nfs/dbraw/zinc/80/63/53/801806353.db2.gz RMFMWPZQBUFSSL-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C2CCCC2)[C@H]1C ZINC001088971445 801813850 /nfs/dbraw/zinc/81/38/50/801813850.db2.gz PYBOUJCFKXPWSD-UXLLHSPISA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2CCCC2)CC(C)(C)C1 ZINC001089299481 801830996 /nfs/dbraw/zinc/83/09/96/801830996.db2.gz UAMPJEWNVAQKEB-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccoc1 ZINC001089605530 801845392 /nfs/dbraw/zinc/84/53/92/801845392.db2.gz OSIYGOHIZAHJKN-HNNXBMFYSA-N 1 1 290.407 3.076 20 30 CGEDMO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001089684204 801848173 /nfs/dbraw/zinc/84/81/73/801848173.db2.gz OBMMJOCXTVKBHO-UBHSHLNASA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001089684204 801848182 /nfs/dbraw/zinc/84/81/82/801848182.db2.gz OBMMJOCXTVKBHO-UBHSHLNASA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[C@H](C)CC2)[C@H](C)C1 ZINC001093140113 801865481 /nfs/dbraw/zinc/86/54/81/801865481.db2.gz HAZYTUCZYNVNPO-QBPKDAKJSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC(C)(C)C1)C2 ZINC001095983348 801888390 /nfs/dbraw/zinc/88/83/90/801888390.db2.gz XAPUVBXTGAFFRJ-WCVJEAGWSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC1(C)C)C2 ZINC001097667063 801901181 /nfs/dbraw/zinc/90/11/81/801901181.db2.gz MZKNYYPUKLWYQU-QXSJWSMHSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC=CCC1)C2 ZINC001097654023 801901895 /nfs/dbraw/zinc/90/18/95/801901895.db2.gz UAFHOLHGRQZIPP-HZMVEIRTSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC(C)(C)C1)C2 ZINC001098476697 801908554 /nfs/dbraw/zinc/90/85/54/801908554.db2.gz OZRWCYXHBHTKDG-JJXSEGSLSA-N 1 1 290.451 3.110 20 30 CGEDMO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H](C)CCC ZINC001098960120 801922014 /nfs/dbraw/zinc/92/20/14/801922014.db2.gz LRSULOUOHODBPO-CVEARBPZSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCCC ZINC001099042858 801925918 /nfs/dbraw/zinc/92/59/18/801925918.db2.gz DBNWGDMBLMXDQD-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)CC(C)C ZINC001099286371 801936574 /nfs/dbraw/zinc/93/65/74/801936574.db2.gz VPFHUNSABUEHMQ-HZPDHXFCSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCC(=O)N1C[C@H]2C[N@H+](CC/C=C\CC)C[C@@]2(C)C1 ZINC001101167551 801973271 /nfs/dbraw/zinc/97/32/71/801973271.db2.gz JEVDBRGDRDWMGV-KKPFSTTMSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1C[N@@H+](CC/C=C/CC)C[C@H]1C ZINC001102011749 801997065 /nfs/dbraw/zinc/99/70/65/801997065.db2.gz OTPBDOVNSYPZNT-KGVXHEBISA-N 1 1 292.467 3.383 20 30 CGEDMO CCCCCCC[N@@H+]1C[C@@H](CNC(=O)C2(C)CC2)[C@H](C)C1 ZINC001101990427 801997638 /nfs/dbraw/zinc/99/76/38/801997638.db2.gz VQLJMFCCFAFJSA-HZPDHXFCSA-N 1 1 294.483 3.441 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](CNC(=O)C2(C)CCCC2)[C@H](C)C1 ZINC001102202626 802000594 /nfs/dbraw/zinc/00/05/94/802000594.db2.gz FLKPHSKIEARLNH-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)C2(CCC)CCC2)[C@H](C)C1 ZINC001102256259 802001437 /nfs/dbraw/zinc/00/14/37/802001437.db2.gz JBIAUTPGHUCJBS-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)CC(=C)C)[C@H](C)C1 ZINC001102261365 802001853 /nfs/dbraw/zinc/00/18/53/802001853.db2.gz XEHHDIOPYHAAKR-GVDBMIGSSA-N 1 1 292.467 3.239 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@@H]1C[N@@H+](CCCC)C[C@H]1C ZINC001102264553 802005001 /nfs/dbraw/zinc/00/50/01/802005001.db2.gz PJKBYFPUMKEVOD-BZUAXINKSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@@H+](C[C@@H](F)CC)C[C@H]1C ZINC001102410182 802007295 /nfs/dbraw/zinc/00/72/95/802007295.db2.gz ORVWQJRGTIHBRB-KFWWJZLASA-N 1 1 298.446 3.021 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](CNC(=O)CCC(C)(C)C)[C@H](C)C1 ZINC001102475960 802007873 /nfs/dbraw/zinc/00/78/73/802007873.db2.gz MKQPZFZMEXUHRV-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@H](CC)CCC)[C@H](C)C1 ZINC001102485011 802008570 /nfs/dbraw/zinc/00/85/70/802008570.db2.gz FVJZRUHRDKDNSG-BZUAXINKSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](CNC(=O)C(C)(CC)CC)[C@H](C)C1 ZINC001102587934 802013453 /nfs/dbraw/zinc/01/34/53/802013453.db2.gz GOPOHTDFICHEAX-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)CC)C1 ZINC001102679648 802016769 /nfs/dbraw/zinc/01/67/69/802016769.db2.gz GYRSTCIWHBZKSZ-ARFHVFGLSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)/C=C/C(C)(C)C)C1 ZINC001102791503 802021308 /nfs/dbraw/zinc/02/13/08/802021308.db2.gz BWWUKRDLZVZWKO-ZGWZEZEDSA-N 1 1 292.467 3.239 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC(C)C2)C1 ZINC001102845523 802022298 /nfs/dbraw/zinc/02/22/98/802022298.db2.gz JHBXTFUWOMQHHG-JCCCHCCOSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2=CCCCCC2)C1 ZINC001102906657 802024573 /nfs/dbraw/zinc/02/45/73/802024573.db2.gz WGGQSASGEIOCQO-NVXWUHKLSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CCC(=O)NCC[C@@H]1C[N@H+](CC=C(C)C)C[C@H]1C ZINC001103040013 802026779 /nfs/dbraw/zinc/02/67/79/802026779.db2.gz BKJYRCCBFVBRAW-IAGOWNOFSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CC(C)(C)CC(=O)NCC[C@@H]1C[N@@H+](CC(C)C)C[C@H]1C ZINC001103033285 802027803 /nfs/dbraw/zinc/02/78/03/802027803.db2.gz DOPIQBPCJMBIRY-HZPDHXFCSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)CC(C)(C)C)C1 ZINC001103498702 802035585 /nfs/dbraw/zinc/03/55/85/802035585.db2.gz DTWYMTVZOZHCEK-BZUAXINKSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)C(C)C)CCC[C@@H]12 ZINC001107566898 802089461 /nfs/dbraw/zinc/08/94/61/802089461.db2.gz DZZBKVLPUPAKEO-JFIYKMOQSA-N 1 1 292.467 3.215 20 30 CGEDMO CCCCCCCCC[C@@H](C)[NH2+][C@](N)(CC)CO ZINC001258230997 807378028 /nfs/dbraw/zinc/37/80/28/807378028.db2.gz FQBLVGYJHQAXEZ-HUUCEWRRSA-N 1 1 258.450 3.163 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccs1)C2 ZINC001108879951 802102747 /nfs/dbraw/zinc/10/27/47/802102747.db2.gz BDHKKSGGYXLVEO-RDBSUJKOSA-N 1 1 290.432 3.049 20 30 CGEDMO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC/C=C\CC ZINC001109054815 802106341 /nfs/dbraw/zinc/10/63/41/802106341.db2.gz AJKJJXNJNHUHDQ-HUYRKFLJSA-N 1 1 276.424 3.030 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(C)C ZINC001109327919 802113167 /nfs/dbraw/zinc/11/31/67/802113167.db2.gz CGXVUDHILDAZOC-IKGGRYGDSA-N 1 1 290.451 3.132 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCC ZINC001109352915 802114972 /nfs/dbraw/zinc/11/49/72/802114972.db2.gz AOFRRBMOFQODTA-PMPSAXMXSA-N 1 1 278.440 3.254 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@](C)(F)CCCC)C2 ZINC001109467271 802117401 /nfs/dbraw/zinc/11/74/01/802117401.db2.gz PSMJKLQUYWSMQE-AESZEHBQSA-N 1 1 296.430 3.202 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C ZINC001109604332 802119641 /nfs/dbraw/zinc/11/96/41/802119641.db2.gz DLRVSCINVAUQQS-ILXRZTDVSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)CCC(C)(C)C)C2 ZINC001109981631 802129713 /nfs/dbraw/zinc/12/97/13/802129713.db2.gz WYKAPYSVZJQWGV-FZKCQIBNSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)CC(C)C)C2 ZINC001109944594 802129784 /nfs/dbraw/zinc/12/97/84/802129784.db2.gz MODKGWUAKYMLEE-YVSFHVDLSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)F)C2 ZINC001110232716 802133234 /nfs/dbraw/zinc/13/32/34/802133234.db2.gz SVVIQWVPGSZFMU-KFWWJZLASA-N 1 1 296.430 3.202 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC1CCCC1)C2 ZINC001110256580 802134374 /nfs/dbraw/zinc/13/43/74/802134374.db2.gz INMZBZKOZRVGGT-ZACQAIPSSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)/C(C)=C/CC)C2 ZINC001110349681 802138264 /nfs/dbraw/zinc/13/82/64/802138264.db2.gz UMAWVOMYGVWUPD-NOBOXSFCSA-N 1 1 276.424 3.030 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)/C=C(/C)CC)C2 ZINC001110532735 802145046 /nfs/dbraw/zinc/14/50/46/802145046.db2.gz AQMRSLCZNUAVAQ-ZRXJQWSSSA-N 1 1 276.424 3.030 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](C)CC ZINC001110609457 802147298 /nfs/dbraw/zinc/14/72/98/802147298.db2.gz GVQZEMRWTDTUMP-FPCVCCKLSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[C@@H]1C)C2 ZINC001110900553 802148902 /nfs/dbraw/zinc/14/89/02/802148902.db2.gz GKEQLYQYKLXXDL-NNXHMXCWSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C/C=C(\C)C=C)C2 ZINC001110916188 802149972 /nfs/dbraw/zinc/14/99/72/802149972.db2.gz JGHZXXFYNXBRLX-JXOWHGLYSA-N 1 1 288.435 3.197 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCCC)C1 ZINC001111001916 802151778 /nfs/dbraw/zinc/15/17/78/802151778.db2.gz NOLDUJYXWHUQAT-OAGGEKHMSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCCC(C)C)C2 ZINC001111164093 802153895 /nfs/dbraw/zinc/15/38/95/802153895.db2.gz ITGWSCURUVEBQT-OAGGEKHMSA-N 1 1 278.440 3.110 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)C(C)C)C1 ZINC001111654403 802164327 /nfs/dbraw/zinc/16/43/27/802164327.db2.gz TXNYXERXTOGRIG-RYRKJORJSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCF)C1 ZINC001111841166 802171088 /nfs/dbraw/zinc/17/10/88/802171088.db2.gz XPJPOKAWAUKPIT-VYDXJSESSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCCC1(C(=O)N2CC[NH+](CC/C=C\CC)CC2)CC1 ZINC001113311008 802213967 /nfs/dbraw/zinc/21/39/67/802213967.db2.gz YBLDNFJSIZZTLY-ALCCZGGFSA-N 1 1 290.451 3.233 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C=C1CCC1 ZINC001114126416 802238608 /nfs/dbraw/zinc/23/86/08/802238608.db2.gz ZKNLBDNYQSJQPX-VQFNDLOPSA-N 1 1 290.451 3.114 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)C1CC1 ZINC001114103851 802238746 /nfs/dbraw/zinc/23/87/46/802238746.db2.gz REZJMLMZMYXAHD-QMCVQRASSA-N 1 1 292.467 3.049 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)C(CC)CC ZINC001114498929 802242803 /nfs/dbraw/zinc/24/28/03/802242803.db2.gz HWGVYFNYKXOKEJ-QMCVQRASSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(CC)CC)C[C@H]21 ZINC001114724251 802243564 /nfs/dbraw/zinc/24/35/64/802243564.db2.gz JNSYUNBCKPOXAX-QMCVQRASSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(CCC)CCC ZINC001114747603 802245051 /nfs/dbraw/zinc/24/50/51/802245051.db2.gz DHSACUJAUHOLQI-FVQHAEBGSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)CCCCC ZINC001115272983 802255429 /nfs/dbraw/zinc/25/54/29/802255429.db2.gz CKMAWDXKIJJILL-MWDXBVQZSA-N 1 1 292.467 3.215 20 30 CGEDMO CCCCCCCC[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC)C[C@H]21 ZINC001115274938 802255620 /nfs/dbraw/zinc/25/56/20/802255620.db2.gz ZPLOPWQICNSOSW-NCOADZHNSA-N 1 1 294.483 3.439 20 30 CGEDMO CC[N@H+](Cc1ccccc1F)C[C@@H](O)c1ccc(C#N)cc1 ZINC001116285171 802323980 /nfs/dbraw/zinc/32/39/80/802323980.db2.gz ARZRGICOPXZLDU-GOSISDBHSA-N 1 1 298.361 3.253 20 30 CGEDMO N#CCCCC[N@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001116350104 802333473 /nfs/dbraw/zinc/33/34/73/802333473.db2.gz SLFGYBXXFRZBJU-AWEZNQCLSA-N 1 1 282.391 3.436 20 30 CGEDMO CC(=[NH+]OC(C)(C)C)c1ccc(F)cc1N(C)C ZINC001116408967 802343045 /nfs/dbraw/zinc/34/30/45/802343045.db2.gz PSZHHFOSGATDRP-UHFFFAOYSA-N 1 1 252.333 3.431 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@H](O)[C@](C)(CO)C1 ZINC001172359621 808254373 /nfs/dbraw/zinc/25/43/73/808254373.db2.gz ZDRYXEWNSNSJEW-ULQDDVLXSA-N 1 1 285.472 3.191 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cc(C)ccc2OC(F)F)C1 ZINC001117720457 802481035 /nfs/dbraw/zinc/48/10/35/802481035.db2.gz QKMLBLJMZAQJLL-CQSZACIVSA-N 1 1 297.345 3.373 20 30 CGEDMO CN(C)c1ccccc1C[N@H+](C)Cc1csc(C#N)c1 ZINC001120053729 802730178 /nfs/dbraw/zinc/73/01/78/802730178.db2.gz NGVAKRQVRZRHKG-UHFFFAOYSA-N 1 1 285.416 3.318 20 30 CGEDMO CN(C)c1ccccc1C[N@@H+](C)Cc1csc(C#N)c1 ZINC001120053729 802730182 /nfs/dbraw/zinc/73/01/82/802730182.db2.gz NGVAKRQVRZRHKG-UHFFFAOYSA-N 1 1 285.416 3.318 20 30 CGEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ccc2cc(C#N)ccc2n1 ZINC001120824481 802784248 /nfs/dbraw/zinc/78/42/48/802784248.db2.gz SEJZMUJRTHBZIA-PXAZEXFGSA-N 1 1 292.386 3.001 20 30 CGEDMO Cc1ccc(N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C#N)n1 ZINC001120921180 802793315 /nfs/dbraw/zinc/79/33/15/802793315.db2.gz LWBHSZNJTDFPED-HUUCEWRRSA-N 1 1 298.434 3.327 20 30 CGEDMO N#C[C@@H](N[C@H]1CCC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC001256898437 807001804 /nfs/dbraw/zinc/00/18/04/807001804.db2.gz ZWQZRTDDORGXRG-FUHWJXTLSA-N 1 1 283.419 3.248 20 30 CGEDMO CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@@H]3C[C@@H]3C#N)c2C1 ZINC001125737871 803074478 /nfs/dbraw/zinc/07/44/78/803074478.db2.gz AZOIHCXDLKFNNN-HUUCEWRRSA-N 1 1 297.402 3.146 20 30 CGEDMO C[N@H+]1CC[C@@H](c2ccc(-c3ccncc3C#N)cc2)C1 ZINC001244338076 803313342 /nfs/dbraw/zinc/31/33/42/803313342.db2.gz QXJITUZOQYSWAQ-OAHLLOKOSA-N 1 1 263.344 3.039 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H](NC(=O)C2CC2)CC[C@@H]1C ZINC001131730527 803337871 /nfs/dbraw/zinc/33/78/71/803337871.db2.gz MQLNEZWGIZIYKK-GOEBONIOSA-N 1 1 280.456 3.336 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)c2ccsc2)CC[C@H]1C ZINC001131796419 803345982 /nfs/dbraw/zinc/34/59/82/803345982.db2.gz FMOCDVYMITZRFY-UKRRQHHQSA-N 1 1 292.448 3.297 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCCC(C)C)C1 ZINC001131894612 803356135 /nfs/dbraw/zinc/35/61/35/803356135.db2.gz ACYWSUWVBKUBKS-HOTGVXAUSA-N 1 1 280.456 3.358 20 30 CGEDMO C#CCCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCC(C)C)C1 ZINC001131977437 803364429 /nfs/dbraw/zinc/36/44/29/803364429.db2.gz XFNKDGILLPCWML-DLBZAZTESA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)c2coc(C)c2)CC[C@@H]1C ZINC001131984926 803364445 /nfs/dbraw/zinc/36/44/45/803364445.db2.gz RNEHHUPTWOOQHS-XJKSGUPXSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(=C)C)CC[C@H]1C ZINC001132222169 803379667 /nfs/dbraw/zinc/37/96/67/803379667.db2.gz UUVRNDXVKQQNJE-CABCVRRESA-N 1 1 278.440 3.134 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)C(C)(C)C(C)(C)C)CC[C@@H]1C ZINC001132240546 803384760 /nfs/dbraw/zinc/38/47/60/803384760.db2.gz IPJDJWINZHIFEH-UONOGXRCSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)C2(C)CC=CC2)CC[C@@H]1C ZINC001132266487 803388114 /nfs/dbraw/zinc/38/81/14/803388114.db2.gz XJXLDKRYBZETHA-JKSUJKDBSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCCC=C)C1 ZINC001132256962 803388548 /nfs/dbraw/zinc/38/85/48/803388548.db2.gz RMBYJRQOJBEBRN-HZPDHXFCSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=C)C)C1 ZINC001132332852 803396061 /nfs/dbraw/zinc/39/60/61/803396061.db2.gz XKBJYHNBJOGYJV-HUUCEWRRSA-N 1 1 278.440 3.134 20 30 CGEDMO C#CCC[N@H+]1C[C@H](NC(=O)C(CC)(CC)CC)CC[C@H]1C ZINC001132383946 803399608 /nfs/dbraw/zinc/39/96/08/803399608.db2.gz GNRYOWPIWOQKLF-HZPDHXFCSA-N 1 1 292.467 3.195 20 30 CGEDMO C#CC[N@H+]1C[C@@H](NC(=O)CCCCCCCC)CC[C@@H]1C ZINC001132441657 803404560 /nfs/dbraw/zinc/40/45/60/803404560.db2.gz RTLSYCXSCBGLHB-IRXDYDNUSA-N 1 1 292.467 3.339 20 30 CGEDMO C=C(CC(C)C)C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001136492660 803645437 /nfs/dbraw/zinc/64/54/37/803645437.db2.gz HWROOWVTIWVIDR-IXDOHACOSA-N 1 1 292.467 3.453 20 30 CGEDMO C=C(CC(C)C)C(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC001136715866 803650394 /nfs/dbraw/zinc/65/03/94/803650394.db2.gz BVRDTPHDXJOWOE-UHFFFAOYSA-N 1 1 272.392 3.067 20 30 CGEDMO C=C(CC(C)C)C(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC001136715866 803650396 /nfs/dbraw/zinc/65/03/96/803650396.db2.gz BVRDTPHDXJOWOE-UHFFFAOYSA-N 1 1 272.392 3.067 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cn2c(cccc2C)n1 ZINC001137301294 803712632 /nfs/dbraw/zinc/71/26/32/803712632.db2.gz GCXBBFWYRHQLAR-UHFFFAOYSA-N 1 1 257.381 3.431 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1c[nH]c2ccc(F)cc12 ZINC001137339732 803718884 /nfs/dbraw/zinc/71/88/84/803718884.db2.gz BOVSHAOYFXVTEN-UHFFFAOYSA-N 1 1 259.328 3.433 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1c[nH]c2ccc(F)cc12 ZINC001137339732 803718887 /nfs/dbraw/zinc/71/88/87/803718887.db2.gz BOVSHAOYFXVTEN-UHFFFAOYSA-N 1 1 259.328 3.433 20 30 CGEDMO C=CC[N@@H+](C)Cc1cnc(SC)nc1NC1CCCC1 ZINC001137485264 803737198 /nfs/dbraw/zinc/73/71/98/803737198.db2.gz IGAJHELUYQBJRM-UHFFFAOYSA-N 1 1 292.452 3.171 20 30 CGEDMO C=CC[N@H+](C)Cc1cnc(SC)nc1NC1CCCC1 ZINC001137485264 803737203 /nfs/dbraw/zinc/73/72/03/803737203.db2.gz IGAJHELUYQBJRM-UHFFFAOYSA-N 1 1 292.452 3.171 20 30 CGEDMO COc1ccc(C[N@@H+]2CCC[C@@H](C(F)F)C2)c(C#N)c1 ZINC001137703211 803760814 /nfs/dbraw/zinc/76/08/14/803760814.db2.gz GJZUNKVALXEEKE-GFCCVEGCSA-N 1 1 280.318 3.044 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@@H](C(F)F)C2)c(C#N)c1 ZINC001137703211 803760817 /nfs/dbraw/zinc/76/08/17/803760817.db2.gz GJZUNKVALXEEKE-GFCCVEGCSA-N 1 1 280.318 3.044 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)c(C#N)c1 ZINC001137699449 803760826 /nfs/dbraw/zinc/76/08/26/803760826.db2.gz IHZPSTQIAKERBG-ZIAGYGMSSA-N 1 1 270.376 3.189 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2Br)C1 ZINC001137722306 803764044 /nfs/dbraw/zinc/76/40/44/803764044.db2.gz HJMZXQZPSDYLRG-LLVKDONJSA-N 1 1 296.183 3.433 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cccc(F)c2Br)C1 ZINC001137722306 803764049 /nfs/dbraw/zinc/76/40/49/803764049.db2.gz HJMZXQZPSDYLRG-LLVKDONJSA-N 1 1 296.183 3.433 20 30 CGEDMO N#CCC1C[NH+](Cc2ccc(C#Cc3ccccc3)cc2)C1 ZINC001138333876 803897449 /nfs/dbraw/zinc/89/74/49/803897449.db2.gz VETLDAIXWCDRCW-UHFFFAOYSA-N 1 1 286.378 3.432 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(-n3ccnc3C)cc2)C1 ZINC001138549262 803962878 /nfs/dbraw/zinc/96/28/78/803962878.db2.gz UEUKWAXNJLMKRI-INIZCTEOSA-N 1 1 279.387 3.026 20 30 CGEDMO C=C(C)COc1ccccc1CN1CCn2c(C)[nH+]cc2C1 ZINC001138662299 803993907 /nfs/dbraw/zinc/99/39/07/803993907.db2.gz STPPWBKKXRMWBR-UHFFFAOYSA-N 1 1 297.402 3.162 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CCCC[C@@](C)(O)C1 ZINC001138662038 803995290 /nfs/dbraw/zinc/99/52/90/803995290.db2.gz NMQKEOVMQHKANH-GOSISDBHSA-N 1 1 289.419 3.378 20 30 CGEDMO C=C(C)COc1ccccc1CN1CC[N@H+](C)C(C)(C)C1 ZINC001138665311 803996454 /nfs/dbraw/zinc/99/64/54/803996454.db2.gz MIFKLOHYLGGKSO-UHFFFAOYSA-N 1 1 288.435 3.168 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1CCN(C)C(C)(C)C1 ZINC001138665311 803996469 /nfs/dbraw/zinc/99/64/69/803996469.db2.gz MIFKLOHYLGGKSO-UHFFFAOYSA-N 1 1 288.435 3.168 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+](C)CCC(=O)OCC ZINC001138665727 803996588 /nfs/dbraw/zinc/99/65/88/803996588.db2.gz VQPCJIDKAZEIKG-UHFFFAOYSA-N 1 1 291.391 3.027 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+](CCOC)C(C)C ZINC001138664359 803996703 /nfs/dbraw/zinc/99/67/03/803996703.db2.gz OJODSZMTTGFZLQ-UHFFFAOYSA-N 1 1 277.408 3.498 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CCC[C@@H](CO)CC1 ZINC001138662391 803996894 /nfs/dbraw/zinc/99/68/94/803996894.db2.gz WTKWBDUDUNGLAY-MRXNPFEDSA-N 1 1 289.419 3.236 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CCC[C@@H](CCO)C1 ZINC001138665851 803997311 /nfs/dbraw/zinc/99/73/11/803997311.db2.gz YGBVMUGTCQIAIT-INIZCTEOSA-N 1 1 289.419 3.236 20 30 CGEDMO C=CC[NH+](CC=C)Cc1c2cc[nH]c2ncc1Cl ZINC001138951610 804077450 /nfs/dbraw/zinc/07/74/50/804077450.db2.gz GJFVOVLDWOCJHK-UHFFFAOYSA-N 1 1 261.756 3.342 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[NH2+][C@@H]1CNC[C@H]2C[C@H]21 ZINC001246017395 804099391 /nfs/dbraw/zinc/09/93/91/804099391.db2.gz YXCRDRUUMDRRBL-XMTFNYHQSA-N 1 1 296.499 3.076 20 30 CGEDMO C#CC(CC)(CC)N[C@@H]1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001246073262 804110567 /nfs/dbraw/zinc/11/05/67/804110567.db2.gz WGPHNZCYCGKIHJ-MSOLQXFVSA-N 1 1 284.447 3.131 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCc2cccnc2C1 ZINC001139029980 804113987 /nfs/dbraw/zinc/11/39/87/804113987.db2.gz AEBLDHRFIJSQLV-UHFFFAOYSA-N 1 1 280.371 3.205 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCc2cccnc2C1 ZINC001139029980 804113992 /nfs/dbraw/zinc/11/39/92/804113992.db2.gz AEBLDHRFIJSQLV-UHFFFAOYSA-N 1 1 280.371 3.205 20 30 CGEDMO CCCCCCCC[C@@H](CC)[NH2+][C@@H]1CNC[C@H]1F ZINC001246132656 804158114 /nfs/dbraw/zinc/15/81/14/804158114.db2.gz ZTNPXVPYQJNPKJ-RBSFLKMASA-N 1 1 258.425 3.415 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccc(-c3cnccn3)cc2)CC1 ZINC001139392978 804185410 /nfs/dbraw/zinc/18/54/10/804185410.db2.gz ALVMKNDUGGNYEC-OAHLLOKOSA-N 1 1 292.386 3.269 20 30 CGEDMO C=CC[NH+]1CCN(Cc2ccc(OCC)c(Cl)c2)CC1 ZINC001139594935 804217743 /nfs/dbraw/zinc/21/77/43/804217743.db2.gz CRIUPYHEELGJQZ-UHFFFAOYSA-N 1 1 294.826 3.042 20 30 CGEDMO COc1cc(C[N@@H+]2CCC[C@H](C#N)CC2)ccc1Cl ZINC001139614349 804227525 /nfs/dbraw/zinc/22/75/25/804227525.db2.gz AYELVWDLXQRRLC-LBPRGKRZSA-N 1 1 278.783 3.474 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@H](C#N)CC2)ccc1Cl ZINC001139614349 804227532 /nfs/dbraw/zinc/22/75/32/804227532.db2.gz AYELVWDLXQRRLC-LBPRGKRZSA-N 1 1 278.783 3.474 20 30 CGEDMO CCCCCCCCC[C@H](C)[NH2+]C[C@]1(O)CCCNC1 ZINC001246235460 804228423 /nfs/dbraw/zinc/22/84/23/804228423.db2.gz YBJYLSZIXUAIFZ-IRXDYDNUSA-N 1 1 284.488 3.220 20 30 CGEDMO CC(C)[N@@H+](Cc1c[nH]c2c1cccc2C#N)C1CCOCC1 ZINC001139707876 804259895 /nfs/dbraw/zinc/25/98/95/804259895.db2.gz WVHGDNVRKKEQNS-UHFFFAOYSA-N 1 1 297.402 3.429 20 30 CGEDMO N#Cc1cccc2c(C[N@H+]3CCC4(C3)CCOCC4)c[nH]c21 ZINC001139703645 804261445 /nfs/dbraw/zinc/26/14/45/804261445.db2.gz RLDVSESNHSJMAW-UHFFFAOYSA-N 1 1 295.386 3.042 20 30 CGEDMO Cc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)cc1C#N ZINC001139727243 804267174 /nfs/dbraw/zinc/26/71/74/804267174.db2.gz KKYROVAJRJMBJK-UHFFFAOYSA-N 1 1 275.355 3.370 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@H]2Cc2ccccn2)cc1C#N ZINC001139726644 804267196 /nfs/dbraw/zinc/26/71/96/804267196.db2.gz XQJAVXKRXXHJTK-IBGZPJMESA-N 1 1 291.398 3.469 20 30 CGEDMO Cc1ccc(C[N@@H+](C2CCC2)C2CCOCC2)cc1C#N ZINC001139726943 804267684 /nfs/dbraw/zinc/26/76/84/804267684.db2.gz CRKQXRJMYYDNKY-UHFFFAOYSA-N 1 1 284.403 3.400 20 30 CGEDMO C=CCn1cc(C[N@H+](C)Cc2ccccc2C)cn1 ZINC001139770464 804277423 /nfs/dbraw/zinc/27/74/23/804277423.db2.gz OJNADMILUBRMON-UHFFFAOYSA-N 1 1 255.365 3.010 20 30 CGEDMO C=CCn1cc(C[N@H+](C)Cc2ccc(C)cc2)cn1 ZINC001139770206 804277711 /nfs/dbraw/zinc/27/77/11/804277711.db2.gz HGNMSFBHOGZLDX-UHFFFAOYSA-N 1 1 255.365 3.010 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cc(F)c(C)c(F)c2)no1 ZINC001212325543 815005299 /nfs/dbraw/zinc/00/52/99/815005299.db2.gz UCXYCUFIYGNKGL-ZDUSSCGKSA-N 1 1 291.301 3.127 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)[C@H](CCC)C(C)C ZINC001139869575 804304367 /nfs/dbraw/zinc/30/43/67/804304367.db2.gz LVQOAKDUJYBBRD-OAHLLOKOSA-N 1 1 268.445 3.025 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2cc(F)cc(C#N)c2)CCC1(F)F ZINC001139873170 804304785 /nfs/dbraw/zinc/30/47/85/804304785.db2.gz CVHDRNPSXNZZEP-SNVBAGLBSA-N 1 1 268.282 3.174 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cc(F)cc(C#N)c2)CCC1(F)F ZINC001139873170 804304794 /nfs/dbraw/zinc/30/47/94/804304794.db2.gz CVHDRNPSXNZZEP-SNVBAGLBSA-N 1 1 268.282 3.174 20 30 CGEDMO N#Cc1cc(F)cc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)c1 ZINC001139875018 804305314 /nfs/dbraw/zinc/30/53/14/804305314.db2.gz RKZGJXQXLCTPNA-SFHVURJKSA-N 1 1 296.345 3.351 20 30 CGEDMO C#CC[NH+](CC#C)Cc1cc(C(F)(F)F)ccc1C ZINC001139888729 804314983 /nfs/dbraw/zinc/31/49/83/804314983.db2.gz IFWNQFJOKNIRJD-UHFFFAOYSA-N 1 1 265.278 3.082 20 30 CGEDMO N#Cc1ccc2[nH]cc(C[N@@H+]3CCC[C@H](CF)C3)c2c1 ZINC001140115045 804381449 /nfs/dbraw/zinc/38/14/49/804381449.db2.gz KRRWYUNKOFXHME-CYBMUJFWSA-N 1 1 271.339 3.221 20 30 CGEDMO Cc1ccc(C)c(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1O ZINC001140182766 804396860 /nfs/dbraw/zinc/39/68/60/804396860.db2.gz ZLSPQKVWZXGGQZ-QKDCVEJESA-N 1 1 270.376 3.276 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CCNC[C@@H](F)C1 ZINC001246603351 804440294 /nfs/dbraw/zinc/44/02/94/804440294.db2.gz ZBACMJKSQZXOGE-HUUCEWRRSA-N 1 1 258.425 3.369 20 30 CGEDMO CCCCCCC[C@@H](CC)N1CC[NH2+]C[C@@H](F)C1 ZINC001246603351 804440298 /nfs/dbraw/zinc/44/02/98/804440298.db2.gz ZBACMJKSQZXOGE-HUUCEWRRSA-N 1 1 258.425 3.369 20 30 CGEDMO CCCCCCC[C@@H](CCC)[N@H+]1CCOC2(CNC2)C1 ZINC001246617688 804452148 /nfs/dbraw/zinc/45/21/48/804452148.db2.gz DOHIYTWQFZHAIO-MRXNPFEDSA-N 1 1 282.472 3.190 20 30 CGEDMO CCCCCCC[C@@H](CCC)N1CCOC2(C[NH2+]C2)C1 ZINC001246617688 804452151 /nfs/dbraw/zinc/45/21/51/804452151.db2.gz DOHIYTWQFZHAIO-MRXNPFEDSA-N 1 1 282.472 3.190 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2F)cn1 ZINC001140543539 804457774 /nfs/dbraw/zinc/45/77/74/804457774.db2.gz BZZHGLMFYZNXRM-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccc2F)cn1 ZINC001140543539 804457780 /nfs/dbraw/zinc/45/77/80/804457780.db2.gz BZZHGLMFYZNXRM-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2N)CC1 ZINC001140717284 804496356 /nfs/dbraw/zinc/49/63/56/804496356.db2.gz PKJQJMYWHRUVMQ-NSHDSACASA-N 1 1 263.772 3.048 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2cc(F)c(C#N)c(F)c2)CC1 ZINC001140752178 804504370 /nfs/dbraw/zinc/50/43/70/804504370.db2.gz HEGRPXPIUPHPGZ-LLVKDONJSA-N 1 1 264.319 3.458 20 30 CGEDMO N#Cc1c(F)cc(C[N@H+]2CC[C@@H](c3cccnc3)C2)cc1F ZINC001140754150 804506841 /nfs/dbraw/zinc/50/68/41/804506841.db2.gz PLTBLANZPZOXTP-CQSZACIVSA-N 1 1 299.324 3.221 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(Br)ccn1 ZINC001140766842 804507985 /nfs/dbraw/zinc/50/79/85/804507985.db2.gz TUQLMSCHSUVHQZ-UHFFFAOYSA-N 1 1 269.186 3.242 20 30 CGEDMO Cc1c[nH]c(C[N@H+](C)Cc2ccc(C#N)cc2)c1C ZINC001140860125 804534714 /nfs/dbraw/zinc/53/47/14/804534714.db2.gz LEVZIUMGKDWQNE-UHFFFAOYSA-N 1 1 253.349 3.135 20 30 CGEDMO C#CC[N@@H+](C)Cc1cc(F)c(C(F)(F)F)c(F)c1 ZINC001140882937 804540917 /nfs/dbraw/zinc/54/09/17/804540917.db2.gz SGRQJHGMVQWMSG-UHFFFAOYSA-N 1 1 263.209 3.049 20 30 CGEDMO C#CC[N@H+](C)Cc1cc(F)c(C(F)(F)F)c(F)c1 ZINC001140882937 804540920 /nfs/dbraw/zinc/54/09/20/804540920.db2.gz SGRQJHGMVQWMSG-UHFFFAOYSA-N 1 1 263.209 3.049 20 30 CGEDMO CC(C)(C)CN1CCC([NH2+]C2CCC(C#N)CC2)CC1 ZINC001256960360 807017852 /nfs/dbraw/zinc/01/78/52/807017852.db2.gz UGCWAMYWEQDEOK-UHFFFAOYSA-N 1 1 277.456 3.169 20 30 CGEDMO Cc1ccc(C[N@H+]2CCc3ccc(C#N)cc3C2)c(O)c1 ZINC001140947964 804555391 /nfs/dbraw/zinc/55/53/91/804555391.db2.gz NKVPTVPWELBOJF-UHFFFAOYSA-N 1 1 278.355 3.131 20 30 CGEDMO CN1CC[N@@H+](C2CCC(C#N)CC2)[C@@H](c2ccccc2)C1 ZINC001256965332 807018585 /nfs/dbraw/zinc/01/85/85/807018585.db2.gz ROCKLZDWTMIDMR-VMWRSERWSA-N 1 1 283.419 3.057 20 30 CGEDMO Cc1cc([C@@H]2CCC[N@H+]2C2CCC(C#N)CC2)no1 ZINC001256965264 807019034 /nfs/dbraw/zinc/01/90/34/807019034.db2.gz OPFZHHFPPDMQKA-PIMMBPRGSA-N 1 1 259.353 3.202 20 30 CGEDMO CN(C)CC[N@@H+](Cc1ccccc1)C1CCC(C#N)CC1 ZINC001256965161 807019408 /nfs/dbraw/zinc/01/94/08/807019408.db2.gz LDIFAXXOGXIFRJ-UHFFFAOYSA-N 1 1 285.435 3.133 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cccc(-c3ncccn3)c2)C1 ZINC001140980055 804562127 /nfs/dbraw/zinc/56/21/27/804562127.db2.gz LCKYRGZYHPOKBI-OAHLLOKOSA-N 1 1 292.386 3.269 20 30 CGEDMO CC1(F)CC[NH+](Cc2sc(N)c(C#N)c2Cl)CC1 ZINC001141108989 804591978 /nfs/dbraw/zinc/59/19/78/804591978.db2.gz KYHXJEPJOIYOLB-UHFFFAOYSA-N 1 1 287.791 3.179 20 30 CGEDMO CC[C@H]1CCC[N@@H+](Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141114906 804592106 /nfs/dbraw/zinc/59/21/06/804592106.db2.gz YEQFNXSKLZAESI-VIFPVBQESA-N 1 1 283.828 3.477 20 30 CGEDMO COc1ccc2nccc(C[N@H+]3CCC[C@@H](CC#N)C3)c2c1 ZINC001141150927 804598450 /nfs/dbraw/zinc/59/84/50/804598450.db2.gz TXVRPYQPHJALHR-AWEZNQCLSA-N 1 1 295.386 3.369 20 30 CGEDMO CCCCCCC[C@H](CCC)[N@H+]1CC[C@](N)(C(=O)OC)C1 ZINC001246926164 804603805 /nfs/dbraw/zinc/60/38/05/804603805.db2.gz SHYQEWWBGDNMJQ-DOTOQJQBSA-N 1 1 298.471 3.092 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc(-c3ncccn3)cc2)C1 ZINC001141189533 804606593 /nfs/dbraw/zinc/60/65/93/804606593.db2.gz VITQNEZPWSMMFH-OAHLLOKOSA-N 1 1 292.386 3.269 20 30 CGEDMO CCCCCCCC[C@@H](CCC)[N@H+]1C[C@@H](N)C[C@@H]1CO ZINC001246938552 804609874 /nfs/dbraw/zinc/60/98/74/804609874.db2.gz NNNREPOHGGHNPQ-GVDBMIGSSA-N 1 1 284.488 3.300 20 30 CGEDMO N#CCC1C[NH+](Cc2cccc(-c3ccc(F)cc3)n2)C1 ZINC001141206196 804611240 /nfs/dbraw/zinc/61/12/40/804611240.db2.gz USWDLPSOVYSUEC-UHFFFAOYSA-N 1 1 281.334 3.233 20 30 CGEDMO C=CC[N@@H+](C1CCCCC1)[C@@H]1CC[NH2+][C@H](CC)C1 ZINC001246944838 804612278 /nfs/dbraw/zinc/61/22/78/804612278.db2.gz CYPMKPBPLDSWET-GDBMZVCRSA-N 1 1 250.430 3.338 20 30 CGEDMO CCCCCCCC[N@@H+](C)Cc1cn2c(n1)COCC2 ZINC001141533142 804651466 /nfs/dbraw/zinc/65/14/66/804651466.db2.gz NLMIJIZMGRRTGG-UHFFFAOYSA-N 1 1 279.428 3.206 20 30 CGEDMO C=CCN(C(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC001141705583 804665266 /nfs/dbraw/zinc/66/52/66/804665266.db2.gz RSRJOUQPYUEHSI-XHSDSOJGSA-N 1 1 286.419 3.467 20 30 CGEDMO CCCCCCCCNC(=S)N[C@H]1CC[N@H+](C(C)C)C1 ZINC001247171196 804673872 /nfs/dbraw/zinc/67/38/72/804673872.db2.gz LYJXRBGUIQECTB-HNNXBMFYSA-N 1 1 299.528 3.294 20 30 CGEDMO C=CC1(CC(=O)N2CCC[N@H+](CC)C[C@@H]2C)CCCCC1 ZINC001141861210 804675528 /nfs/dbraw/zinc/67/55/28/804675528.db2.gz TYPIYAKHKRMPLR-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C[C@H]1CC[N@H+](Cc2cc(Br)ccc2C#N)C1 ZINC001141897251 804677837 /nfs/dbraw/zinc/67/78/37/804677837.db2.gz LMEHAPVFCPQSTD-JTQLQIEISA-N 1 1 279.181 3.163 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2cc(Br)ccc2C#N)C1 ZINC001141897251 804677839 /nfs/dbraw/zinc/67/78/39/804677839.db2.gz LMEHAPVFCPQSTD-JTQLQIEISA-N 1 1 279.181 3.163 20 30 CGEDMO CC(C)[N@@H+](C)Cc1cc(Br)ccc1C#N ZINC001141894388 804678226 /nfs/dbraw/zinc/67/82/26/804678226.db2.gz ICNDHJQHOWZLCK-UHFFFAOYSA-N 1 1 267.170 3.161 20 30 CGEDMO CC[N@@H+](CCC#N)[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256815512 806983674 /nfs/dbraw/zinc/98/36/74/806983674.db2.gz BCGJCGDZSMJKRT-JKSUJKDBSA-N 1 1 258.365 3.142 20 30 CGEDMO N#C[C@H]1CC[N@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC001142843928 804774344 /nfs/dbraw/zinc/77/43/44/804774344.db2.gz DQYJWXXYJQFTIP-OAHLLOKOSA-N 1 1 263.344 3.094 20 30 CGEDMO N#C[C@H]1CC[N@@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC001142843928 804774346 /nfs/dbraw/zinc/77/43/46/804774346.db2.gz DQYJWXXYJQFTIP-OAHLLOKOSA-N 1 1 263.344 3.094 20 30 CGEDMO C#CC[C@@H]([NH3+])c1nc(-c2ccc(C)cc2C(F)(F)F)no1 ZINC001247610387 804779696 /nfs/dbraw/zinc/77/96/96/804779696.db2.gz ZJPALUFKEMJRII-LLVKDONJSA-N 1 1 295.264 3.087 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccnc2[nH]ccc21 ZINC001142883806 804780496 /nfs/dbraw/zinc/78/04/96/804780496.db2.gz PNRMSBHSIJSTJU-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO C=CCOc1ccc(-c2noc([C@@H]([NH3+])CCC)n2)c(F)c1 ZINC001247618529 804781260 /nfs/dbraw/zinc/78/12/60/804781260.db2.gz CCPMTXVTIFPPOI-ZDUSSCGKSA-N 1 1 291.326 3.240 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH3+])c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC001247621282 804781452 /nfs/dbraw/zinc/78/14/52/804781452.db2.gz PYMHAPAYRKOTLV-NOZJJQNGSA-N 1 1 295.264 3.115 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cccc(Cl)c2F)no1 ZINC001247622201 804783561 /nfs/dbraw/zinc/78/35/61/804783561.db2.gz IEVZQORAGBBYCC-SNVBAGLBSA-N 1 1 281.718 3.495 20 30 CGEDMO Cn1nc(-c2ccccc2)cc1C[NH+]1CCC(C)(C#N)CC1 ZINC001143015285 804795018 /nfs/dbraw/zinc/79/50/18/804795018.db2.gz HYYGEVWMLDPKRR-UHFFFAOYSA-N 1 1 294.402 3.213 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2c(Cl)cccc2C#N)CCC[C@@]1(C)O ZINC001143717297 804887286 /nfs/dbraw/zinc/88/72/86/804887286.db2.gz BHQXVUBHTRFPLZ-MLGOLLRUSA-N 1 1 292.810 3.195 20 30 CGEDMO CC[N@H+]1CCC[C@@H](c2nc(-c3ccc(C#N)c(C)c3)no2)C1 ZINC001248272069 804906066 /nfs/dbraw/zinc/90/60/66/804906066.db2.gz CWGJQHAEEQOHFA-OAHLLOKOSA-N 1 1 296.374 3.116 20 30 CGEDMO CCOc1ccc(F)c(C[NH+]2CCC(CC#N)CC2)c1F ZINC001143937145 804911408 /nfs/dbraw/zinc/91/14/08/804911408.db2.gz AGLBXSCXXJWQIW-UHFFFAOYSA-N 1 1 294.345 3.489 20 30 CGEDMO N#Cc1ccc(C2CCC([N@H+]3C[C@@H]4CCO[C@@H]4C3)CC2)cc1 ZINC001257019509 807029145 /nfs/dbraw/zinc/02/91/45/807029145.db2.gz PRRIHWOVMQYLDK-VLOYRQLPSA-N 1 1 296.414 3.305 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(Cl)cn2ccnc12 ZINC001248451711 804934743 /nfs/dbraw/zinc/93/47/43/804934743.db2.gz ICCTUUWJDFKFSG-UHFFFAOYSA-N 1 1 263.772 3.386 20 30 CGEDMO COc1cccc(CCC[N@@H+](C)Cc2cncc(C#N)c2)c1 ZINC001144083886 804935598 /nfs/dbraw/zinc/93/55/98/804935598.db2.gz VRWBMWVQMJOFCS-UHFFFAOYSA-N 1 1 295.386 3.026 20 30 CGEDMO C[N@H+](C/C=C/c1ccccc1)Cc1ccc(C#N)cn1 ZINC001144163368 804946971 /nfs/dbraw/zinc/94/69/71/804946971.db2.gz DQDRCJPDGCRPJL-VMPITWQZSA-N 1 1 263.344 3.098 20 30 CGEDMO C[N@@H+](C/C=C/c1ccccc1)Cc1ccc(C#N)cn1 ZINC001144163368 804946975 /nfs/dbraw/zinc/94/69/75/804946975.db2.gz DQDRCJPDGCRPJL-VMPITWQZSA-N 1 1 263.344 3.098 20 30 CGEDMO Cc1noc2ccc(C[N@H+]3CCC[C@H](C#N)CC3)cc12 ZINC001248706591 804971272 /nfs/dbraw/zinc/97/12/72/804971272.db2.gz ZRABNINNAOZVSA-ZDUSSCGKSA-N 1 1 269.348 3.262 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(O)cc2C(F)(F)F)C1 ZINC001144391705 804980619 /nfs/dbraw/zinc/98/06/19/804980619.db2.gz WFIQLPZSFFKAAS-NSHDSACASA-N 1 1 283.293 3.256 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1COC ZINC001248748384 804982490 /nfs/dbraw/zinc/98/24/90/804982490.db2.gz HTQLUCISLYKHSY-QGZVFWFLSA-N 1 1 272.392 3.122 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@@H+]1CCc2ncccc2C1 ZINC001248751767 804984607 /nfs/dbraw/zinc/98/46/07/804984607.db2.gz JTWNFZNXDDTZER-UHFFFAOYSA-N 1 1 277.371 3.074 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCc2ncccc2C1 ZINC001248751767 804984612 /nfs/dbraw/zinc/98/46/12/804984612.db2.gz JTWNFZNXDDTZER-UHFFFAOYSA-N 1 1 277.371 3.074 20 30 CGEDMO C#Cc1ccc(C[N@H+](CCCCCO)C(C)C)cc1 ZINC001144578801 805009228 /nfs/dbraw/zinc/00/92/28/805009228.db2.gz QHZJMDATBQSLNN-UHFFFAOYSA-N 1 1 259.393 3.041 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)CCCC)C2)C1 ZINC001147022230 805104995 /nfs/dbraw/zinc/10/49/95/805104995.db2.gz ZYSGLQQBVMYTDR-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)C(F)=C(C)C)C2)C1 ZINC001147323479 805122189 /nfs/dbraw/zinc/12/21/89/805122189.db2.gz BFOQOXXHCCFROF-AWEZNQCLSA-N 1 1 294.414 3.139 20 30 CGEDMO N#CCC1CC[NH+](Cc2csc(-c3ccncc3)n2)CC1 ZINC001249292233 805128271 /nfs/dbraw/zinc/12/82/71/805128271.db2.gz GBNAKXXSOYFVDK-UHFFFAOYSA-N 1 1 298.415 3.331 20 30 CGEDMO CC1(C)C[N@@H+](Cc2cc3ccc(C#N)cc3[nH]2)CCCO1 ZINC001249429351 805146664 /nfs/dbraw/zinc/14/66/64/805146664.db2.gz YEBMGTBNXPEWNW-UHFFFAOYSA-N 1 1 283.375 3.040 20 30 CGEDMO C[C@H]1C[C@H]2C[N@@H+](Cc3cc4ccc(C#N)cc4[nH]3)CC[C@H]2O1 ZINC001249427709 805146840 /nfs/dbraw/zinc/14/68/40/805146840.db2.gz NFVYJGAHLUEENL-XLWVJDPXSA-N 1 1 295.386 3.039 20 30 CGEDMO N#Cc1ccc2cc(C[N@@H+]3CC[C@@]4(CC4(F)F)C3)[nH]c2c1 ZINC001249429286 805147569 /nfs/dbraw/zinc/14/75/69/805147569.db2.gz UXGBWGTXQDKRLO-OAHLLOKOSA-N 1 1 287.313 3.271 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cc3ccc(C#N)cc3[nH]2)C2(CC2)C1 ZINC001249430036 805148741 /nfs/dbraw/zinc/14/87/41/805148741.db2.gz AVFIKKLETBJXJB-LBPRGKRZSA-N 1 1 265.360 3.414 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1c(C)nnn1-c1ccc(F)cc1 ZINC001249450528 805152159 /nfs/dbraw/zinc/15/21/59/805152159.db2.gz VUMYMARUMFARRY-UHFFFAOYSA-N 1 1 288.370 3.113 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)CC[C@@H](C)CC)C2)C1 ZINC001148484600 805188170 /nfs/dbraw/zinc/18/81/70/805188170.db2.gz JTGTZHCZJPJWNK-ZDUSSCGKSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)CC[C@@H](C)CC)C2)C1 ZINC001148484600 805188174 /nfs/dbraw/zinc/18/81/74/805188174.db2.gz JTGTZHCZJPJWNK-ZDUSSCGKSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@H](C)CC(C)C)C2)C1 ZINC001148496422 805189179 /nfs/dbraw/zinc/18/91/79/805189179.db2.gz MLGJFECUPMNQDN-MRXNPFEDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CCC2(CN(C(=O)C[C@H](C)CC(C)C)C2)C1 ZINC001148600119 805198329 /nfs/dbraw/zinc/19/83/29/805198329.db2.gz WFXNTUNJZHLPAM-MRXNPFEDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CCC2(CN(C(=O)C[C@H](C)C(C)(C)C)C2)C1 ZINC001148672892 805204922 /nfs/dbraw/zinc/20/49/22/805204922.db2.gz OTLYMHJXISDIQJ-HNNXBMFYSA-N 1 1 292.467 3.169 20 30 CGEDMO Cc1cc(Nc2ccc(C#N)c3ncccc23)c[nH+]c1N ZINC001249794494 805251346 /nfs/dbraw/zinc/25/13/46/805251346.db2.gz SLSNQYSOPQCSGN-UHFFFAOYSA-N 1 1 275.315 3.136 20 30 CGEDMO C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)CC1CC1 ZINC001151527645 805295471 /nfs/dbraw/zinc/29/54/71/805295471.db2.gz ARPYKHFFFPVQEK-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO CN(C)c1cc(F)cc(C[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC001249959659 805327551 /nfs/dbraw/zinc/32/75/51/805327551.db2.gz NNXDQPGCOMZHFB-UHFFFAOYSA-N 1 1 297.377 3.395 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)/C=C/C(C)(C)C ZINC001152433144 805350312 /nfs/dbraw/zinc/35/03/12/805350312.db2.gz ZOTINHCDZRTGIB-AYJWMTRPSA-N 1 1 280.456 3.382 20 30 CGEDMO C#CCCCCC(=O)NC[C@@H](C)[N@@H+](CC)CCCC(C)C ZINC001152873971 805371671 /nfs/dbraw/zinc/37/16/71/805371671.db2.gz XCGGCRCCEYHFPE-QGZVFWFLSA-N 1 1 294.483 3.443 20 30 CGEDMO C#CCCCCC(=O)NC[C@@H](C)[N@@H+](CC)CC1CCCC1 ZINC001152841698 805371741 /nfs/dbraw/zinc/37/17/41/805371741.db2.gz JEOWEMNPVQFHJO-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)C1=CCCCCC1 ZINC001152940142 805374514 /nfs/dbraw/zinc/37/45/14/805374514.db2.gz GPURTLJRNSMULH-OAHLLOKOSA-N 1 1 278.440 3.280 20 30 CGEDMO C#CCCCC(=O)NC[C@@H](C)[N@@H+](CC)CCC1CCCC1 ZINC001153012474 805378602 /nfs/dbraw/zinc/37/86/02/805378602.db2.gz LVPDWUDJVXBMKH-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)C(C)=C1CCC1 ZINC001153240545 805388694 /nfs/dbraw/zinc/38/86/94/805388694.db2.gz DQUYSZQDUCNWQD-CQSZACIVSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CC[NH+](CC=C)Cc1ccc(OC)cc1OCC ZINC001250063359 805397933 /nfs/dbraw/zinc/39/79/33/805397933.db2.gz WPQDRFOQAJUSHD-UHFFFAOYSA-N 1 1 261.365 3.268 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C[C@H]1C=CCCC1 ZINC001153995329 805424276 /nfs/dbraw/zinc/42/42/76/805424276.db2.gz XTWBLMNORJYGGQ-CABCVRRESA-N 1 1 298.858 3.312 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C[C@H]1C=CCCC1 ZINC001153995329 805424282 /nfs/dbraw/zinc/42/42/82/805424282.db2.gz XTWBLMNORJYGGQ-CABCVRRESA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(CC)o1 ZINC001154062362 805430301 /nfs/dbraw/zinc/43/03/01/805430301.db2.gz KTDUEGVBTGHLNW-CQSZACIVSA-N 1 1 292.423 3.248 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)C1(C)CCCC1 ZINC001154505915 805460072 /nfs/dbraw/zinc/46/00/72/805460072.db2.gz ZNRCUTOUTRXKAP-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC1(C)C ZINC001154694051 805478353 /nfs/dbraw/zinc/47/83/53/805478353.db2.gz YLNILVDYIAIQAR-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NC[C@@H](C)[N@H+](CC)CCCC ZINC001154742590 805480907 /nfs/dbraw/zinc/48/09/07/805480907.db2.gz IYRBPJNCJPGWCJ-LSDHHAIUSA-N 1 1 268.445 3.215 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)CCC(C)C ZINC001154756558 805483322 /nfs/dbraw/zinc/48/33/22/805483322.db2.gz CRXMNHSTRXPJBR-HZPDHXFCSA-N 1 1 282.472 3.461 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)CC[C@@H](C)F)CC1 ZINC001155028316 805526442 /nfs/dbraw/zinc/52/64/42/805526442.db2.gz YJFYEMCHDSGHSV-HUUCEWRRSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CCCC1(C(=O)NC[C@@H](C)[N@@H+](CC)CC[C@@H](C)F)CC1 ZINC001155037166 805527489 /nfs/dbraw/zinc/52/74/89/805527489.db2.gz RCKRDWHCHUELEL-HUUCEWRRSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)C1(C)CCCCC1 ZINC001155036878 805527553 /nfs/dbraw/zinc/52/75/53/805527553.db2.gz JAWDRUTXYIHZIJ-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)C1(CCC=C)CC1 ZINC001155037501 805527889 /nfs/dbraw/zinc/52/78/89/805527889.db2.gz SPVRCDNTBSMZNJ-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO Cc1[nH+]c(NC[C@@H]2CCC(F)(F)C2)ccc1CC#N ZINC001155172923 805549020 /nfs/dbraw/zinc/54/90/20/805549020.db2.gz DYKDSLKPDUSTOV-LLVKDONJSA-N 1 1 265.307 3.303 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)C(C)(F)F ZINC001155306967 805571305 /nfs/dbraw/zinc/57/13/05/805571305.db2.gz RGEHRTNQTYTCDE-CHWSQXEVSA-N 1 1 290.398 3.071 20 30 CGEDMO Cc1[nH+]c2ccccn2c1Nc1ccc(OCC#N)cc1 ZINC001212606185 815083536 /nfs/dbraw/zinc/08/35/36/815083536.db2.gz QHXBJTFCCISXMM-UHFFFAOYSA-N 1 1 278.315 3.289 20 30 CGEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H](CC)CCC)C2 ZINC001257260056 807074868 /nfs/dbraw/zinc/07/48/68/807074868.db2.gz AOGHBACQGHTASR-YESZJQIVSA-N 1 1 281.440 3.391 20 30 CGEDMO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1[C@@H](CC)CCC ZINC001257263605 807077372 /nfs/dbraw/zinc/07/73/72/807077372.db2.gz UOYQCZOFNLHGSZ-GOEBONIOSA-N 1 1 291.439 3.101 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@@H+](C1CCCC1)[C@@H]2CC ZINC001257351180 807118854 /nfs/dbraw/zinc/11/88/54/807118854.db2.gz WTKSIBBRISEPBL-AEFFLSMTSA-N 1 1 290.451 3.351 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)C1CCC(C(=O)OC)CC1 ZINC001257866889 807230270 /nfs/dbraw/zinc/23/02/70/807230270.db2.gz UHMYHZNSBOJNHC-UHFFFAOYSA-N 1 1 287.403 3.406 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CCCC(=O)[C@@H](C)C3)C[C@H](C1)C2 ZINC001257890870 807240902 /nfs/dbraw/zinc/24/09/02/807240902.db2.gz BNZKFVDTBWZLRA-LSVZVQIISA-N 1 1 261.409 3.422 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+](C)Cc3cc(C)nn3C)C[C@H](C1)C2 ZINC001257893714 807243692 /nfs/dbraw/zinc/24/36/92/807243692.db2.gz YGXHQCMDZZIZEV-XYPWUTKMSA-N 1 1 273.424 3.295 20 30 CGEDMO Cc1[nH+]c(N)ccc1CNc1nc2ccccc2cc1C#N ZINC001167781766 807249198 /nfs/dbraw/zinc/24/91/98/807249198.db2.gz OBTGWFOPKLALIL-UHFFFAOYSA-N 1 1 289.342 3.004 20 30 CGEDMO CC(C)C[C@@H]1CCCC[N@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001167898668 807270354 /nfs/dbraw/zinc/27/03/54/807270354.db2.gz QMRDZBPHKINRPP-ROUUACIJSA-N 1 1 286.419 3.492 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CC[C@](O)(CF)[C@@H](F)C1 ZINC001258044600 807274156 /nfs/dbraw/zinc/27/41/56/807274156.db2.gz RNIUKAPHLGBUSL-KKUMJFAQSA-N 1 1 277.399 3.480 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1C[C@@H]2C[C@H](C1)C2C(=O)OC ZINC001258052291 807278591 /nfs/dbraw/zinc/27/85/91/807278591.db2.gz NZBCSOFSDRVOPD-JZWPEALZSA-N 1 1 281.440 3.476 20 30 CGEDMO Cc1cccc(N(C(N)=[NH2+])c2ccc(F)cc2)c1C#N ZINC001167991944 807292496 /nfs/dbraw/zinc/29/24/96/807292496.db2.gz MRGYNGOFSPHNTB-UHFFFAOYSA-N 1 1 268.295 3.037 20 30 CGEDMO C=CCN(CC=C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167996081 807294457 /nfs/dbraw/zinc/29/44/57/807294457.db2.gz WGZGTLHASQNIQD-SJPCQFCGSA-N 1 1 260.425 3.066 20 30 CGEDMO C[NH+](C)Cc1c(F)cc(NCCCCC#N)cc1F ZINC001168436275 807414221 /nfs/dbraw/zinc/41/42/21/807414221.db2.gz NAOJYUDSTGRURW-UHFFFAOYSA-N 1 1 267.323 3.132 20 30 CGEDMO CC(C)[C@H]1CCCCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC001168581624 807450555 /nfs/dbraw/zinc/45/05/55/807450555.db2.gz WJBPKFLEAGZWBD-HZPDHXFCSA-N 1 1 278.440 3.332 20 30 CGEDMO C=CCOC[C@]12CCCO[C@H]1CC[N@H+]([C@H](C)CC1CC1)C2 ZINC001258461403 807464141 /nfs/dbraw/zinc/46/41/41/807464141.db2.gz PAUJJKCGATZTOI-BPQIPLTHSA-N 1 1 293.451 3.249 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168658405 807470290 /nfs/dbraw/zinc/47/02/90/807470290.db2.gz ABAMEIVJBNBJEZ-GDBMZVCRSA-N 1 1 261.365 3.033 20 30 CGEDMO CCCC[N@H+](CC#N)C1CCC2(CC1)OCC(C)(C)CO2 ZINC001258526600 807485305 /nfs/dbraw/zinc/48/53/05/807485305.db2.gz PVDFARYAZFLFDA-UHFFFAOYSA-N 1 1 294.439 3.324 20 30 CGEDMO CCCC[N@@H+](CC#N)C1CCC2(CC1)OCC(C)(C)CO2 ZINC001258526600 807485308 /nfs/dbraw/zinc/48/53/08/807485308.db2.gz PVDFARYAZFLFDA-UHFFFAOYSA-N 1 1 294.439 3.324 20 30 CGEDMO CC[C@H](c1ccncc1)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC001168910634 807537716 /nfs/dbraw/zinc/53/77/16/807537716.db2.gz CEVARAJZPBHBII-MSOLQXFVSA-N 1 1 295.386 3.070 20 30 CGEDMO C=CCC[C@H](C)[NH2+]C1(C(=O)OCC)CCCCC1 ZINC001258721532 807570073 /nfs/dbraw/zinc/57/00/73/807570073.db2.gz YQIBIOWLYYNLJF-ZDUSSCGKSA-N 1 1 253.386 3.197 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC001258724859 807573349 /nfs/dbraw/zinc/57/33/49/807573349.db2.gz FJUKDGSDKFGXEG-NWDGAFQWSA-N 1 1 265.319 3.120 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CCc1ccc(OC)cc1)C[C@@H](C)O ZINC001258726953 807574732 /nfs/dbraw/zinc/57/47/32/807574732.db2.gz ZIFPOPJCGPZEFX-HZPDHXFCSA-N 1 1 291.435 3.275 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@]2(CCN2C(=O)OC(C)(C)C)C1 ZINC001258729930 807575876 /nfs/dbraw/zinc/57/58/76/807575876.db2.gz ZEARHZFRHQMVHB-YOEHRIQHSA-N 1 1 294.439 3.426 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H]2[C@H]1CN2C(=O)OC(C)(C)C ZINC001258728936 807576431 /nfs/dbraw/zinc/57/64/31/807576431.db2.gz RJOAXUGXSVLZGF-RRFJBIMHSA-N 1 1 294.439 3.425 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](CCC(=O)OCC)[C@@H](CCC)COC ZINC001258733857 807580424 /nfs/dbraw/zinc/58/04/24/807580424.db2.gz NAGLHLYFRKYXKY-CVEARBPZSA-N 1 1 299.455 3.411 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CC)CCNC(=O)OC(C)(C)C ZINC001258734414 807581041 /nfs/dbraw/zinc/58/10/41/807581041.db2.gz XMLHKOBICOVEQA-CYBMUJFWSA-N 1 1 270.417 3.188 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](Oc2ccncc2C)C1 ZINC001258735927 807582250 /nfs/dbraw/zinc/58/22/50/807582250.db2.gz GCDGDVHWZWYQAK-GJZGRUSLSA-N 1 1 260.381 3.198 20 30 CGEDMO C[C@@H]1CCC[C@@H]([N@H+]2CCCN(c3ccc(C#N)cn3)CC2)C1 ZINC001258827743 807642735 /nfs/dbraw/zinc/64/27/35/807642735.db2.gz UTMIJPJTZILUEP-NVXWUHKLSA-N 1 1 298.434 3.044 20 30 CGEDMO C=CC[N@@H+](CCOC)CCSc1ccc(F)cc1F ZINC001169898405 807722500 /nfs/dbraw/zinc/72/25/00/807722500.db2.gz BXWLEACZBPEBTH-UHFFFAOYSA-N 1 1 287.375 3.191 20 30 CGEDMO COC(=[NH2+])c1cccc(NC2=CC(=O)CC(C)(C)C2)c1 ZINC001169952940 807728961 /nfs/dbraw/zinc/72/89/61/807728961.db2.gz KSKLRVVFFATBFU-UHFFFAOYSA-N 1 1 272.348 3.343 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC001169970253 807731420 /nfs/dbraw/zinc/73/14/20/807731420.db2.gz HGDNDVYHSPVQOS-STQMWFEESA-N 1 1 264.344 3.029 20 30 CGEDMO C=C(C)CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C1CC1 ZINC001261414305 807741321 /nfs/dbraw/zinc/74/13/21/807741321.db2.gz QGSKUWZXGCBZMF-SFHVURJKSA-N 1 1 298.430 3.078 20 30 CGEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+]([C@H]1CC[C@H](C)C1)C2 ZINC001170140295 807773711 /nfs/dbraw/zinc/77/37/11/807773711.db2.gz XIDXZVNHTPBTAZ-XYJFISCASA-N 1 1 290.451 3.208 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCC[C@H](OCC3CC3)C2)CC1 ZINC001262264353 807844018 /nfs/dbraw/zinc/84/40/18/807844018.db2.gz PMCYQJVAJVVAMP-DQPZFDDXSA-N 1 1 276.424 3.207 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@H]1CC[C@@H](C(=O)OC)C1 ZINC001170548069 807853712 /nfs/dbraw/zinc/85/37/12/807853712.db2.gz BUMGQYZJOOCURF-KGLIPLIRSA-N 1 1 255.402 3.230 20 30 CGEDMO COc1cc(C[N@H+](C)Cc2cc(C#N)cs2)ccc1F ZINC001262377020 807862297 /nfs/dbraw/zinc/86/22/97/807862297.db2.gz JRQVUCLQQOBFKI-UHFFFAOYSA-N 1 1 290.363 3.399 20 30 CGEDMO COc1cc(C[N@@H+](C)Cc2cc(C#N)cs2)ccc1F ZINC001262377020 807862300 /nfs/dbraw/zinc/86/23/00/807862300.db2.gz JRQVUCLQQOBFKI-UHFFFAOYSA-N 1 1 290.363 3.399 20 30 CGEDMO C=CCOC(=O)[C@@H]([NH2+][C@@H]1C[C@@H]2[C@H](C1)C2(C)C)[C@@H](C)CC ZINC001170721759 807885252 /nfs/dbraw/zinc/88/52/52/807885252.db2.gz YVNWYLGFPFLSPY-LXFSFDBISA-N 1 1 279.424 3.155 20 30 CGEDMO C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@H]1CCCOCC1 ZINC001170828265 807919128 /nfs/dbraw/zinc/91/91/28/807919128.db2.gz XNOVYXKKDZXEKD-FUHWJXTLSA-N 1 1 269.388 3.178 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1CCN(C2CCC2)CC1 ZINC001171190324 808004410 /nfs/dbraw/zinc/00/44/10/808004410.db2.gz RZNVFRPJGWCUIT-HNNXBMFYSA-N 1 1 297.446 3.096 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001171210774 808010715 /nfs/dbraw/zinc/01/07/15/808010715.db2.gz WJCIFLITUWDBFK-WQVCFCJDSA-N 1 1 290.357 3.466 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1nccs1 ZINC001171222077 808011979 /nfs/dbraw/zinc/01/19/79/808011979.db2.gz CPROTFQGYFQAOC-GFCCVEGCSA-N 1 1 271.389 3.078 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+](C)Cc1cscn1 ZINC001171222058 808012626 /nfs/dbraw/zinc/01/26/26/808012626.db2.gz CDWVHPMVNKGKGA-LBPRGKRZSA-N 1 1 271.389 3.078 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1cscn1 ZINC001171222058 808012632 /nfs/dbraw/zinc/01/26/32/808012632.db2.gz CDWVHPMVNKGKGA-LBPRGKRZSA-N 1 1 271.389 3.078 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C(CC)CC)[C@H]1CC ZINC001264045678 808029670 /nfs/dbraw/zinc/02/96/70/808029670.db2.gz LIAOKFYQSDYNTK-JKSUJKDBSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC(C)(C)CC(=O)N1C[C@@H]2C[N@@H+](CCCC)CC[C@@H]2C1 ZINC001264089091 808034002 /nfs/dbraw/zinc/03/40/02/808034002.db2.gz HZKNHJNFRCCHHS-CVEARBPZSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](C)C1CCC1 ZINC001264183025 808043884 /nfs/dbraw/zinc/04/38/84/808043884.db2.gz FOYBFTOOMBLRPX-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CCC(=O)N1CCCC[C@H]1C[N@H+](C)CC(C)C ZINC001264183641 808043958 /nfs/dbraw/zinc/04/39/58/808043958.db2.gz WSDIMEJZCOPCPB-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)C2CC2)CC(C)(C)C1 ZINC001264197304 808047456 /nfs/dbraw/zinc/04/74/56/808047456.db2.gz ZCVJQWDKPOINKB-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](CCOc2ccccc2OCC)C1 ZINC001171491659 808075785 /nfs/dbraw/zinc/07/57/85/808075785.db2.gz XBPYVKOEFPLYLB-MRXNPFEDSA-N 1 1 287.403 3.199 20 30 CGEDMO N#C[C@@H]1CCC[N@H+]([C@@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171492669 808075917 /nfs/dbraw/zinc/07/59/17/808075917.db2.gz GYTIZTAIUZNXCM-IUODEOHRSA-N 1 1 290.357 3.448 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+]([C@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171497866 808078771 /nfs/dbraw/zinc/07/87/71/808078771.db2.gz WXVFUPGZAYGADA-XJKSGUPXSA-N 1 1 276.330 3.058 20 30 CGEDMO C[C@]1(C#N)CC[N@H+]([C@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171497866 808078780 /nfs/dbraw/zinc/07/87/80/808078780.db2.gz WXVFUPGZAYGADA-XJKSGUPXSA-N 1 1 276.330 3.058 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001171522892 808085977 /nfs/dbraw/zinc/08/59/77/808085977.db2.gz MJBNUTSZFULHHN-PWSUYJOCSA-N 1 1 273.804 3.039 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001171522892 808085985 /nfs/dbraw/zinc/08/59/85/808085985.db2.gz MJBNUTSZFULHHN-PWSUYJOCSA-N 1 1 273.804 3.039 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001171522893 808086699 /nfs/dbraw/zinc/08/66/99/808086699.db2.gz MJBNUTSZFULHHN-ZYHUDNBSSA-N 1 1 273.804 3.039 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001171522893 808086708 /nfs/dbraw/zinc/08/67/08/808086708.db2.gz MJBNUTSZFULHHN-ZYHUDNBSSA-N 1 1 273.804 3.039 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@@H+](Cc2ccsc2)[C@@H]1C ZINC001264716388 808087709 /nfs/dbraw/zinc/08/77/09/808087709.db2.gz HNYMAUDFFKTLLO-HIFRSBDPSA-N 1 1 292.448 3.183 20 30 CGEDMO C#CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)CCCC(C)C ZINC001264744170 808092064 /nfs/dbraw/zinc/09/20/64/808092064.db2.gz LINZWMKILLDXQS-KRWDZBQOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H](F)CC)CC(C)(C)C1 ZINC001264753591 808093528 /nfs/dbraw/zinc/09/35/28/808093528.db2.gz LBVHDRPQKZCYHV-HUUCEWRRSA-N 1 1 298.446 3.308 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](CC[C@H]2CCc3ccccc32)C1 ZINC001171571813 808101038 /nfs/dbraw/zinc/10/10/38/808101038.db2.gz BRYTZERCHDXITN-NVXWUHKLSA-N 1 1 253.389 3.452 20 30 CGEDMO C=C1CC(C)(C(=O)NCCC[N@H+](C)CC/C=C\CC)C1 ZINC001265033512 808105166 /nfs/dbraw/zinc/10/51/66/808105166.db2.gz HBUQNDPRLSROMM-SREVYHEPSA-N 1 1 278.440 3.137 20 30 CGEDMO C#Cc1ccc(CNC2CC(C)(C)[NH+](C)C(C)(C)C2)cc1 ZINC001171623020 808106942 /nfs/dbraw/zinc/10/69/42/808106942.db2.gz HHMUPAVRKXTCOB-UHFFFAOYSA-N 1 1 284.447 3.409 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCCCCC(C)C)C1 ZINC001265306381 808128757 /nfs/dbraw/zinc/12/87/57/808128757.db2.gz OKDNIEYHSVSOTA-INIZCTEOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](CC(CC)CC)C1 ZINC001265305864 808129240 /nfs/dbraw/zinc/12/92/40/808129240.db2.gz FKEUFIBAKQIIEN-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C[C@@H]1C[C@H](N2CCC[C@H](C#N)CC2)C[N@H+]1Cc1ccccc1 ZINC001171763160 808133493 /nfs/dbraw/zinc/13/34/93/808133493.db2.gz ORATYXHHKGZEFC-AOIWGVFYSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](C#N)CC2)CN1Cc1ccccc1 ZINC001171763160 808133496 /nfs/dbraw/zinc/13/34/96/808133496.db2.gz ORATYXHHKGZEFC-AOIWGVFYSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1C[C@H]([N@H+]2CCC[C@H](C#N)CC2)CN1Cc1ccccc1 ZINC001171763160 808133499 /nfs/dbraw/zinc/13/34/99/808133499.db2.gz ORATYXHHKGZEFC-AOIWGVFYSA-N 1 1 297.446 3.275 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)CC(C)C)C1 ZINC001265384436 808137119 /nfs/dbraw/zinc/13/71/19/808137119.db2.gz IFRONEJFMZJHDU-INIZCTEOSA-N 1 1 280.456 3.169 20 30 CGEDMO C#CCCCCC(=O)N1CCC[C@@H](C[N@H+](C)CC(C)C)C1 ZINC001265388837 808138001 /nfs/dbraw/zinc/13/80/01/808138001.db2.gz MQKYMQDRUHXEIX-KRWDZBQOSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCN1CC[C@@H]([N@H+](C)C2CC(C)(C)CC(C)(C)C2)C1=O ZINC001171853883 808149559 /nfs/dbraw/zinc/14/95/59/808149559.db2.gz OSFJBPXTVLYZGN-OAHLLOKOSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]2C[N@@H+](CCCF)CC[C@@H]21 ZINC001265522669 808150252 /nfs/dbraw/zinc/15/02/52/808150252.db2.gz ALXSVECTCNQWPH-HOTGVXAUSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]2C[N@@H+](CCCF)CC[C@H]21 ZINC001265522671 808150521 /nfs/dbraw/zinc/15/05/21/808150521.db2.gz ALXSVECTCNQWPH-JKSUJKDBSA-N 1 1 296.430 3.015 20 30 CGEDMO C#CC(C)(C)N[C@@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171963948 808161253 /nfs/dbraw/zinc/16/12/53/808161253.db2.gz GCUKXVUXLSUPFH-QGZVFWFLSA-N 1 1 284.447 3.431 20 30 CGEDMO C#CC(C)(C)N[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171963948 808161255 /nfs/dbraw/zinc/16/12/55/808161255.db2.gz GCUKXVUXLSUPFH-QGZVFWFLSA-N 1 1 284.447 3.431 20 30 CGEDMO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@@H](C#N)C1 ZINC001171975717 808163628 /nfs/dbraw/zinc/16/36/28/808163628.db2.gz ZELGUUQIWLSHIS-AAEUAGOBSA-N 1 1 282.309 3.482 20 30 CGEDMO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@H](C#N)C1 ZINC001171975717 808163632 /nfs/dbraw/zinc/16/36/32/808163632.db2.gz ZELGUUQIWLSHIS-AAEUAGOBSA-N 1 1 282.309 3.482 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CCCC[N@H+]2CC2CC2)CCC1 ZINC001265651638 808164301 /nfs/dbraw/zinc/16/43/01/808164301.db2.gz MXLDNZQKRHWELT-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@H](C)CC(C)(C)C ZINC001265654147 808164387 /nfs/dbraw/zinc/16/43/87/808164387.db2.gz OCDJLJSBMUFKQN-HOTGVXAUSA-N 1 1 292.467 3.053 20 30 CGEDMO CCCCCCC[N@@H+](CC)[C@H]1CCN(C2CC2)C(=O)C1 ZINC001172023866 808166418 /nfs/dbraw/zinc/16/64/18/808166418.db2.gz YLWQPTZFPSVSFG-INIZCTEOSA-N 1 1 280.456 3.432 20 30 CGEDMO CCCCCCC[N@@H+](CC)[C@H]1CCN(CC)C(=O)C1 ZINC001172043420 808169000 /nfs/dbraw/zinc/16/90/00/808169000.db2.gz NVJILMCWPNYRGQ-HNNXBMFYSA-N 1 1 268.445 3.290 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001265702860 808170846 /nfs/dbraw/zinc/17/08/46/808170846.db2.gz IUONSZJEROQDSA-GOEBONIOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2(CC)CCC2)C1 ZINC001265704829 808172514 /nfs/dbraw/zinc/17/25/14/808172514.db2.gz ALQTVXGAGDWSBF-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N(CC#N)Cc1ccccc1)C2 ZINC001172128078 808186395 /nfs/dbraw/zinc/18/63/95/808186395.db2.gz OAWMDBYFYDYEQG-PIIMJCKOSA-N 1 1 283.419 3.027 20 30 CGEDMO C=CCC[N@H+](C)CCCNC(=O)c1ccn(C(C)C)c1C ZINC001265907985 808191502 /nfs/dbraw/zinc/19/15/02/808191502.db2.gz JMDGJPAUADOPBV-UHFFFAOYSA-N 1 1 291.439 3.005 20 30 CGEDMO C=CC(C)(C)C(=O)NCCC[N@H+](C)CC1CCCCC1 ZINC001265902230 808191574 /nfs/dbraw/zinc/19/15/74/808191574.db2.gz KPGGQIKIFBLKNU-UHFFFAOYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)[C@]1(C)C=CCC1 ZINC001265904261 808191615 /nfs/dbraw/zinc/19/16/15/808191615.db2.gz CYYFALWWQFKGMT-DOTOQJQBSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)[C@@H]1CCC1(C)C ZINC001265908735 808191958 /nfs/dbraw/zinc/19/19/58/808191958.db2.gz XQJBENGHDJIWSK-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=C1CC(C)(C(=O)NCCC[N@H+](C)C[C@H](C)CC(C)C)C1 ZINC001265921003 808193231 /nfs/dbraw/zinc/19/32/31/808193231.db2.gz FHWLEFFOISAFNJ-OAHLLOKOSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)CC2CC2)C1 ZINC001266087739 808208982 /nfs/dbraw/zinc/20/89/82/808208982.db2.gz AORDRWGHVOVXQF-ZBFHGGJFSA-N 1 1 278.440 3.064 20 30 CGEDMO CCC[N@@H+]([C@@H](C)Cc1ccc(C#N)cc1)C1CCOCC1 ZINC001172310228 808223169 /nfs/dbraw/zinc/22/31/69/808223169.db2.gz FDVXIUNJLUVXDQ-HNNXBMFYSA-N 1 1 286.419 3.380 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCn2cccc2[C@@H]1C ZINC001172311115 808223220 /nfs/dbraw/zinc/22/32/20/808223220.db2.gz PCRSDWPUEUSPEJ-CABCVRRESA-N 1 1 279.387 3.368 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCn2cccc2[C@@H]1C ZINC001172311115 808223221 /nfs/dbraw/zinc/22/32/21/808223221.db2.gz PCRSDWPUEUSPEJ-CABCVRRESA-N 1 1 279.387 3.368 20 30 CGEDMO Cc1cnc2c(c1)C[N@@H+]([C@H](C)Cc1ccc(C#N)cc1)CC2 ZINC001172313019 808223910 /nfs/dbraw/zinc/22/39/10/808223910.db2.gz NQVPQKIVQSPJOE-OAHLLOKOSA-N 1 1 291.398 3.251 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC001172316978 808226890 /nfs/dbraw/zinc/22/68/90/808226890.db2.gz ZJIPQZLPAUOBMO-XJKCOSOUSA-N 1 1 260.356 3.169 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H](CF)C1 ZINC001172318316 808228503 /nfs/dbraw/zinc/22/85/03/808228503.db2.gz DZMXBJXDMQCPEA-CJNGLKHVSA-N 1 1 260.356 3.171 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C(F)F)C1 ZINC001172319044 808228568 /nfs/dbraw/zinc/22/85/68/808228568.db2.gz KMQVMCHEUQXHHA-IUODEOHRSA-N 1 1 278.346 3.466 20 30 CGEDMO C#CCCCC(=O)N[C@H]1CCC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001266215319 808228876 /nfs/dbraw/zinc/22/88/76/808228876.db2.gz JELCYKJTNLUKTF-AEFFLSMTSA-N 1 1 298.430 3.132 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C(C)(C)C(C)C ZINC001266220598 808230254 /nfs/dbraw/zinc/23/02/54/808230254.db2.gz XMUHRKUFCIDJOU-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001266233520 808230735 /nfs/dbraw/zinc/23/07/35/808230735.db2.gz MABZZQGMXSDTPE-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)CC[C@@H](C)CC ZINC001266238355 808231661 /nfs/dbraw/zinc/23/16/61/808231661.db2.gz QWWUOHDIXXGWPN-DLBZAZTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCOC(=O)[C@H](CC(C)C)[NH2+][C@H](C)CCO[C@@H](C)CC ZINC001172326718 808235000 /nfs/dbraw/zinc/23/50/00/808235000.db2.gz LDEFQQXGSLFLFM-PMPSAXMXSA-N 1 1 299.455 3.314 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)c1ccn(C(C)C)c1C ZINC001266313072 808240388 /nfs/dbraw/zinc/24/03/88/808240388.db2.gz FPBHODIJERDPLA-UHFFFAOYSA-N 1 1 291.439 3.005 20 30 CGEDMO CC[C@H](C)OCC[C@H](C)[N@H+]1CCC[C@@H](C#N)CC1 ZINC001172351931 808249944 /nfs/dbraw/zinc/24/99/44/808249944.db2.gz DXPKEJTUVFFDMV-SOUVJXGZSA-N 1 1 252.402 3.206 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CCO[C@@H](C(C)=O)C1 ZINC001172360044 808255077 /nfs/dbraw/zinc/25/50/77/808255077.db2.gz IECIGPRSOVMCHF-HZPDHXFCSA-N 1 1 269.429 3.415 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1C[C@@H]2COC[C@H](C1)C2=O ZINC001172360139 808255272 /nfs/dbraw/zinc/25/52/72/808255272.db2.gz KTUVTFKYHJGBEY-XHSDSOJGSA-N 1 1 281.440 3.273 20 30 CGEDMO C=C(C)C[N@H+](CC)CCNC(=O)[C@]1(C)CCC[C@@H]1CC ZINC001266398839 808256038 /nfs/dbraw/zinc/25/60/38/808256038.db2.gz FDPYYJGDSQHYKB-DOTOQJQBSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)c1c(C)oc(C)c1C ZINC001266400822 808257740 /nfs/dbraw/zinc/25/77/40/808257740.db2.gz UBZAXBCFTPNLFI-UHFFFAOYSA-N 1 1 292.423 3.223 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)c2sccc2C)C1 ZINC001266447933 808266173 /nfs/dbraw/zinc/26/61/73/808266173.db2.gz CVJIHDZIDKYQIQ-AWEZNQCLSA-N 1 1 292.448 3.027 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCC[N@H+]1[C@H]1CCc2ccccc21 ZINC001266450592 808267824 /nfs/dbraw/zinc/26/78/24/808267824.db2.gz QTNSGGPWCICITF-WMZOPIPTSA-N 1 1 298.430 3.221 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H]1CNC(=O)C#CC(C)C ZINC001266460943 808269222 /nfs/dbraw/zinc/26/92/22/808269222.db2.gz GQZHQDTXSYHKIL-KRWDZBQOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H]1CC=CCC1 ZINC001266474859 808272340 /nfs/dbraw/zinc/27/23/40/808272340.db2.gz XOZXPOBUAHCBFS-LSDHHAIUSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C[C@H]1CC=CCC1 ZINC001266474859 808272341 /nfs/dbraw/zinc/27/23/41/808272341.db2.gz XOZXPOBUAHCBFS-LSDHHAIUSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)C1(F)CCCCC1 ZINC001266488485 808273996 /nfs/dbraw/zinc/27/39/96/808273996.db2.gz KIHBOMGPZTWHAT-OAHLLOKOSA-N 1 1 296.430 3.206 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCC[N@H+]1CCC(C)C ZINC001266480837 808274386 /nfs/dbraw/zinc/27/43/86/808274386.db2.gz YZWNJAMZVYSFAQ-RDJZCZTQSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](CNC(=O)C(C)(C)C(C)C)C1 ZINC001266513876 808278391 /nfs/dbraw/zinc/27/83/91/808278391.db2.gz IDQAAASVCQZBBA-JKSUJKDBSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001266545909 808283559 /nfs/dbraw/zinc/28/35/59/808283559.db2.gz RCDPINQZJHIZSZ-JKSUJKDBSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)CC(CC)CC)C1 ZINC001266540567 808284382 /nfs/dbraw/zinc/28/43/82/808284382.db2.gz ZEXRPXNMTGKYDD-INIZCTEOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)[C@]1(C)CCC[C@@H]1CC ZINC001266565203 808286319 /nfs/dbraw/zinc/28/63/19/808286319.db2.gz PKXFYZUWYTXJSI-DOTOQJQBSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)c1occc1C(C)C ZINC001266568194 808288732 /nfs/dbraw/zinc/28/87/32/808288732.db2.gz HMSXANQGCHKPQZ-UHFFFAOYSA-N 1 1 278.396 3.031 20 30 CGEDMO CCCCCC[N@@H+](CCNC(=O)C#CC(C)(C)C)C1CC1 ZINC001266591936 808293254 /nfs/dbraw/zinc/29/32/54/808293254.db2.gz CHFWPGCCWIYUJK-UHFFFAOYSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC(C)C)C1 ZINC001266656585 808301589 /nfs/dbraw/zinc/30/15/89/808301589.db2.gz YGTGWIIDLRJUBA-IRXDYDNUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001266770128 808313243 /nfs/dbraw/zinc/31/32/43/808313243.db2.gz OZOPULRGIFCDNO-CQSZACIVSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)CC1(C)CCCC1 ZINC001266839527 808321885 /nfs/dbraw/zinc/32/18/85/808321885.db2.gz CLKXAMWKTWQTKM-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCCC(=O)NC[C@@H]1CCCC[N@H+]1CCC1CC1 ZINC001266853561 808322884 /nfs/dbraw/zinc/32/28/84/808322884.db2.gz OCASWMINMAVMOO-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)CC(CC)CC ZINC001266857394 808325795 /nfs/dbraw/zinc/32/57/95/808325795.db2.gz LQMTWOSBYOXWIS-INIZCTEOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCCC[C@H]1[C@H]1CCC[N@@H+]1CC ZINC001266894549 808330875 /nfs/dbraw/zinc/33/08/75/808330875.db2.gz ZVMQBTSULYCYEK-CVEARBPZSA-N 1 1 292.467 3.454 20 30 CGEDMO C[C@H](CCCC#N)[NH2+][C@H](C(=O)OC(C)(C)C)C(C)(C)C ZINC001172488590 808348980 /nfs/dbraw/zinc/34/89/80/808348980.db2.gz UUPYRZSDSXYMIB-CHWSQXEVSA-N 1 1 282.428 3.415 20 30 CGEDMO C[C@H](CCCC#N)[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001172492426 808351672 /nfs/dbraw/zinc/35/16/72/808351672.db2.gz LGULAXVHYZSHFX-SJLPKXTDSA-N 1 1 285.435 3.275 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](CC)SC)C1 ZINC001267101988 808357514 /nfs/dbraw/zinc/35/75/14/808357514.db2.gz AXNBEESNBXQQOT-CABCVRRESA-N 1 1 298.496 3.017 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@H](C)CCCC#N)c(OC)c1 ZINC001172503136 808358822 /nfs/dbraw/zinc/35/88/22/808358822.db2.gz YEKKKHJFHSWGRW-CYBMUJFWSA-N 1 1 276.380 3.218 20 30 CGEDMO CCCCCCCC[C@H](CC)[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC001172505495 808361285 /nfs/dbraw/zinc/36/12/85/808361285.db2.gz OBXGZUKCMDKNAJ-ULQDDVLXSA-N 1 1 285.472 3.191 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)CCCCC(C)C)C1 ZINC001267112601 808361510 /nfs/dbraw/zinc/36/15/10/808361510.db2.gz SWWNOUPSWFBJPZ-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)CCCCCCCC)C1 ZINC001267113942 808361750 /nfs/dbraw/zinc/36/17/50/808361750.db2.gz VJAZAMGQGRKCSD-KRWDZBQOSA-N 1 1 292.467 3.293 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CC[C@H](C(=O)c2ccccc2)C1 ZINC001172508022 808364833 /nfs/dbraw/zinc/36/48/33/808364833.db2.gz AWGZSLSHBCPFSL-ZBFHGGJFSA-N 1 1 270.376 3.274 20 30 CGEDMO C=CCC[N@@H+](C)CCNC(=O)Cc1cccc2ccccc21 ZINC001267227577 808389190 /nfs/dbraw/zinc/38/91/90/808389190.db2.gz WUQIKQFGUCMBDJ-UHFFFAOYSA-N 1 1 296.414 3.006 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@H](C)CC(C)(C)C ZINC001267276268 808402199 /nfs/dbraw/zinc/40/21/99/808402199.db2.gz OJOAKSRGAAIVPQ-JKSUJKDBSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)C2(F)CCCCC2)C1 ZINC001267307905 808410048 /nfs/dbraw/zinc/41/00/48/808410048.db2.gz YEIPSCHOUOPRPT-OAHLLOKOSA-N 1 1 296.430 3.063 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172679128 808413331 /nfs/dbraw/zinc/41/33/31/808413331.db2.gz ACGWERZUETVEMZ-QGZVFWFLSA-N 1 1 286.419 3.076 20 30 CGEDMO C#CCC[N@H+](CCNC(=O)c1cccc(C(C)C)c1)C1CC1 ZINC001267336107 808418083 /nfs/dbraw/zinc/41/80/83/808418083.db2.gz IYHXZLDJFWYNNX-UHFFFAOYSA-N 1 1 298.430 3.028 20 30 CGEDMO CC(C)OC(=O)CC[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001172761126 808433268 /nfs/dbraw/zinc/43/32/68/808433268.db2.gz DSHRHNVPBMGYRP-AWEZNQCLSA-N 1 1 288.391 3.110 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)C1(CC)CCCC1)C(C)C ZINC001267511043 808436394 /nfs/dbraw/zinc/43/63/94/808436394.db2.gz FUMFILHEOYUEMB-UHFFFAOYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)[C@H]1C[C@]1(C)C(C)C)C(C)C ZINC001267512035 808437100 /nfs/dbraw/zinc/43/71/00/808437100.db2.gz YUSJMFWJTAKWMZ-SJLPKXTDSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CCNC(=O)CCC2CCCC2)C1 ZINC001267549796 808444769 /nfs/dbraw/zinc/44/47/69/808444769.db2.gz JFVVCWXNIXGPCE-KRWDZBQOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC)CC(C)C)C1 ZINC001267592990 808453081 /nfs/dbraw/zinc/45/30/81/808453081.db2.gz AJOICTIXMHQQBR-DLBZAZTESA-N 1 1 294.483 3.415 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001267593610 808453720 /nfs/dbraw/zinc/45/37/20/808453720.db2.gz OROVMOJXBRNOLP-BRWVUGGUSA-N 1 1 292.467 3.169 20 30 CGEDMO C#CCC[N@H+](C)CC1CCN(C(=O)C[C@H](C)CCC)CC1 ZINC001267597627 808454581 /nfs/dbraw/zinc/45/45/81/808454581.db2.gz FKFULDMEJQGSON-MRXNPFEDSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@H]2CC[C@@H](C)C2)CC1 ZINC001267602366 808457127 /nfs/dbraw/zinc/45/71/27/808457127.db2.gz AGXNEWFEVLGXPP-WBVHZDCISA-N 1 1 292.467 3.169 20 30 CGEDMO CC(C)CCC[N@H+]1CCC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001267614728 808458468 /nfs/dbraw/zinc/45/84/68/808458468.db2.gz PZZUUMXXQQDCMS-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)CCC2CCCC2)C1 ZINC001267626732 808460565 /nfs/dbraw/zinc/46/05/65/808460565.db2.gz ZJOBBBFEMWEOQI-KRWDZBQOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CCC[N@H+](CC(=C)C)C2)CCCC1 ZINC001267621096 808461178 /nfs/dbraw/zinc/46/11/78/808461178.db2.gz PRTKASDNGJYMQZ-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C[C@H](C(=O)N[C@@H]1CCC[N@H+](CC(=C)C)C1)c1ccccc1 ZINC001267622116 808461424 /nfs/dbraw/zinc/46/14/24/808461424.db2.gz MUKUJVDUUCHBKN-MSOLQXFVSA-N 1 1 298.430 3.113 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[C@@H](C[N@@H+](C)CC(=C)Cl)C1 ZINC001267684839 808470675 /nfs/dbraw/zinc/47/06/75/808470675.db2.gz SOMXETRGEHCQRU-GOEBONIOSA-N 1 1 298.858 3.122 20 30 CGEDMO C#CC[N@H+](C)[C@@H](C)CSc1ccc(Cl)cc1 ZINC001172883711 808474615 /nfs/dbraw/zinc/47/46/15/808474615.db2.gz VRDSOICKHMUJAU-NSHDSACASA-N 1 1 253.798 3.386 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)C[C@H](CC)C(C)C)C1 ZINC001267702945 808475259 /nfs/dbraw/zinc/47/52/59/808475259.db2.gz KIJATZIVVVUNIY-IRXDYDNUSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)c2ccc(C=C)cc2)C1 ZINC001267728778 808479321 /nfs/dbraw/zinc/47/93/21/808479321.db2.gz LWLUNDPDMBBWRL-YJBOKZPZSA-N 1 1 298.430 3.488 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](NC(=O)c2coc(C)c2)C1 ZINC001267740686 808480714 /nfs/dbraw/zinc/48/07/14/808480714.db2.gz QAYJKUWUFUSDEU-MRXNPFEDSA-N 1 1 292.423 3.363 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C(C)(C)CC=C)C1 ZINC001267749040 808483207 /nfs/dbraw/zinc/48/32/07/808483207.db2.gz HLCODAYASJYERZ-HUUCEWRRSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C2(F)CCCC2)C1 ZINC001267766787 808486826 /nfs/dbraw/zinc/48/68/26/808486826.db2.gz DXNHGHHTISGLJN-LSDHHAIUSA-N 1 1 296.430 3.156 20 30 CGEDMO C=C/C(C)=C/CC(=O)N(CC)[C@@H]1CC[N@H+](CC(=C)Cl)C1 ZINC001267788672 808491628 /nfs/dbraw/zinc/49/16/28/808491628.db2.gz BZKMLAWGYRHRAD-MYWXAZLQSA-N 1 1 296.842 3.184 20 30 CGEDMO C=C/C(C)=C/CC(=O)N(CC)[C@@H]1CC[N@@H+](CC(=C)Cl)C1 ZINC001267788672 808491634 /nfs/dbraw/zinc/49/16/34/808491634.db2.gz BZKMLAWGYRHRAD-MYWXAZLQSA-N 1 1 296.842 3.184 20 30 CGEDMO CCCOC1CCC([N@@H+](CCC)CCC#N)CC1 ZINC001173099197 808508106 /nfs/dbraw/zinc/50/81/06/808508106.db2.gz BHDADGXSEQHQAS-UHFFFAOYSA-N 1 1 252.402 3.350 20 30 CGEDMO CCCOC1CCC([N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC1 ZINC001173100220 808509305 /nfs/dbraw/zinc/50/93/05/808509305.db2.gz HFYQHDGRJVBOSQ-RXURYVNASA-N 1 1 276.424 3.491 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)C2=CCCC2)C1 ZINC001267925858 808515566 /nfs/dbraw/zinc/51/55/66/808515566.db2.gz RZQIYACNYFVKGL-GDBMZVCRSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)/C=C(\C)CC)C1 ZINC001267931509 808516579 /nfs/dbraw/zinc/51/65/79/808516579.db2.gz UNSHWFVNYPTCQS-XRZYUTHKSA-N 1 1 278.440 3.278 20 30 CGEDMO CCCCCC[N@H+]1CCC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001267931597 808516747 /nfs/dbraw/zinc/51/67/47/808516747.db2.gz XYCQZWDNNQQFDX-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC[N@@H+]([C@H]1CCc2ncsc2C1)C(C)(C)C ZINC001173145925 808527148 /nfs/dbraw/zinc/52/71/48/808527148.db2.gz MZSYQJFKUNSMHY-NSHDSACASA-N 1 1 250.411 3.287 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H](NC(=O)C2CCC2)C1 ZINC001268153612 808549783 /nfs/dbraw/zinc/54/97/83/808549783.db2.gz PAWGRBXITCETMW-INIZCTEOSA-N 1 1 280.456 3.338 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)CCCCC)C1 ZINC001268237158 808565273 /nfs/dbraw/zinc/56/52/73/808565273.db2.gz XTDNILZCCACRJM-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C#CCC[N@H+](C)CCN(C)C(=O)[C@H](CC)CC1CCCC1 ZINC001268252830 808569688 /nfs/dbraw/zinc/56/96/88/808569688.db2.gz DRKWSKGFIFHAIG-QGZVFWFLSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCOC(=O)[C@@H]([NH2+][C@H]1CC[C@@H](CC)C1)[C@@H](C)CC ZINC001173265716 808570670 /nfs/dbraw/zinc/57/06/70/808570670.db2.gz IMURXDMFQNEVNL-XGUBFFRZSA-N 1 1 267.413 3.299 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)/C(C)=C\CC)CC[C@@H]21 ZINC001268266527 808572852 /nfs/dbraw/zinc/57/28/52/808572852.db2.gz ZGKHKBOPVCLBQC-DUEUMOEASA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H]1CC[C@H](CC)C1)C2 ZINC001173276142 808578497 /nfs/dbraw/zinc/57/84/97/808578497.db2.gz BQIGYYJZBXWRMR-XLAORIBOSA-N 1 1 293.451 3.391 20 30 CGEDMO C=C[C@@H](C(=O)NC1C[NH+](CC/C=C/CC)C1)c1ccccc1 ZINC001268482892 808592790 /nfs/dbraw/zinc/59/27/90/808592790.db2.gz AEJVQWIRCZTYEZ-DUMMIQTOSA-N 1 1 298.430 3.113 20 30 CGEDMO C=CCOC1CCC([N@@H+](C(C)C)C2CCOCC2)CC1 ZINC001173325327 808612444 /nfs/dbraw/zinc/61/24/44/808612444.db2.gz JHTVWPUYMWVNQQ-UHFFFAOYSA-N 1 1 281.440 3.390 20 30 CGEDMO C=CCOC1CCC([N@H+]2CCC[C@@H]2c2ncccn2)CC1 ZINC001173325645 808612802 /nfs/dbraw/zinc/61/28/02/808612802.db2.gz OOYLOBFQQJSORO-UYSNPLJNSA-N 1 1 287.407 3.127 20 30 CGEDMO C=CCOC1CCC([N@H+]2CCC[C@H](C(F)F)C2)CC1 ZINC001173327882 808614132 /nfs/dbraw/zinc/61/41/32/808614132.db2.gz VCPNJGWDFMAMNP-HSBZDZAISA-N 1 1 273.367 3.477 20 30 CGEDMO CCOC(=O)[C@@]1(C)CCC[N@H+](C2CCC(CC#N)CC2)C1 ZINC001173336507 808616919 /nfs/dbraw/zinc/61/69/19/808616919.db2.gz BQAZOPQFMDNWJN-DQPZFDDXSA-N 1 1 292.423 3.124 20 30 CGEDMO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCC(CC#N)CC1 ZINC001173336625 808617527 /nfs/dbraw/zinc/61/75/27/808617527.db2.gz GZPOETLFDARTDP-OZEOOWDWSA-N 1 1 262.397 3.101 20 30 CGEDMO N#CCC1CCC([N@H+]2CCCN(c3cccnc3)CC2)CC1 ZINC001173340965 808620532 /nfs/dbraw/zinc/62/05/32/808620532.db2.gz OHYMTINRBRHDKL-UHFFFAOYSA-N 1 1 298.434 3.066 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@H](NC(=O)C[C@H]2C=CCC2)C1 ZINC001268996721 808641503 /nfs/dbraw/zinc/64/15/03/808641503.db2.gz SFUQIMJNBLJRNF-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CC[C@@H](Oc3cccnc3)C2)CC1 ZINC001173596517 808650062 /nfs/dbraw/zinc/65/00/62/808650062.db2.gz ZGSTZVXYKLSKRF-ARWYELJZSA-N 1 1 285.391 3.007 20 30 CGEDMO COC(=O)CC[N@@H+](C1CCCC1)C1CCC(C)(C#N)CC1 ZINC001173595949 808650101 /nfs/dbraw/zinc/65/01/01/808650101.db2.gz CTSGORGQFPLFET-UHFFFAOYSA-N 1 1 292.423 3.267 20 30 CGEDMO CCC[N@@H+](C1CCOCC1)C1CCC(C)(C#N)CC1 ZINC001173600621 808650696 /nfs/dbraw/zinc/65/06/96/808650696.db2.gz GVFNKHFUSBRHIE-UHFFFAOYSA-N 1 1 264.413 3.350 20 30 CGEDMO C[N@@H+](Cc1ccccc1O)C1CCC(C)(C#N)CC1 ZINC001173598282 808650771 /nfs/dbraw/zinc/65/07/71/808650771.db2.gz OOFAYYNHUSWVHV-UHFFFAOYSA-N 1 1 258.365 3.296 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)CCCCC(C)(C)C ZINC001269241838 808660700 /nfs/dbraw/zinc/66/07/00/808660700.db2.gz YDFXXPBECJJZEF-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](C)CC ZINC001270483409 808732005 /nfs/dbraw/zinc/73/20/05/808732005.db2.gz BGEZYPCWJZLKLY-ZACQAIPSSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)CCC(=O)N1CCCC[C@]2(CC[N@H+](CC)C2)C1 ZINC001270512414 808733043 /nfs/dbraw/zinc/73/30/43/808733043.db2.gz IJACQQRMQQFEEO-QGZVFWFLSA-N 1 1 278.440 3.067 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](CC)CCC)C1 ZINC001270643228 808741048 /nfs/dbraw/zinc/74/10/48/808741048.db2.gz SWMISGYWJJUKDL-DOTOQJQBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](C(C)C)C3)CCC1 ZINC001271423275 808770993 /nfs/dbraw/zinc/77/09/93/808770993.db2.gz WJKXBCHJXQALEO-JYJNAYRXSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CC[N@H+](C)CCN(C)C(=O)C[C@@H](CC)C(C)(C)C ZINC001272152514 808799392 /nfs/dbraw/zinc/79/93/92/808799392.db2.gz XFHNMKMVHVYBJY-CQSZACIVSA-N 1 1 268.445 3.025 20 30 CGEDMO C#CCCCCCCCCC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2C ZINC001272220635 808801831 /nfs/dbraw/zinc/80/18/31/808801831.db2.gz ZTBJWACFHTZGNY-IRXDYDNUSA-N 1 1 290.451 3.045 20 30 CGEDMO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2C[C@H](C)CCC ZINC001272429339 808808390 /nfs/dbraw/zinc/80/83/90/808808390.db2.gz CBYVGBWDTBDSSQ-WBVHZDCISA-N 1 1 278.440 3.066 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@]2(CCN(C)C2=O)CC1 ZINC001272478911 808813088 /nfs/dbraw/zinc/81/30/88/808813088.db2.gz SCKHYYKEPZPXMN-QGZVFWFLSA-N 1 1 280.456 3.291 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@]2(CCN([C@@H](C)CC)C2=O)C1 ZINC001272699901 808822069 /nfs/dbraw/zinc/82/20/69/808822069.db2.gz PGQWTYUZAKELPB-WMZOPIPTSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](CC)CCCC)CC1 ZINC001273394098 808842239 /nfs/dbraw/zinc/84/22/39/808842239.db2.gz WRAHIMRBTIGTNJ-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H](NC(=O)C2=CCCC2)CC1 ZINC001273410771 808843117 /nfs/dbraw/zinc/84/31/17/808843117.db2.gz OMGLTCSDRFMMNF-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H](NC(=O)C2=CCCC2)CC1 ZINC001273410769 808843746 /nfs/dbraw/zinc/84/37/46/808843746.db2.gz OMGLTCSDRFMMNF-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCN1CC[C@@]2(CC[N@H+](CC3(C)CCCCC3)C2)C1=O ZINC001273451469 808847058 /nfs/dbraw/zinc/84/70/58/808847058.db2.gz YZCQNZLHAXHURM-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCCC[N@H+]1CCCC[C@]12CC(=O)N(C1CCCC1)C2 ZINC001273487644 808848853 /nfs/dbraw/zinc/84/88/53/808848853.db2.gz NPMPRRNNEQTCRI-GOSISDBHSA-N 1 1 290.451 3.352 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@@]2(CCN([C@H](C)CC)C2=O)C1 ZINC001273495412 808850078 /nfs/dbraw/zinc/85/00/78/808850078.db2.gz WGZZJUKJHPZDHL-NVXWUHKLSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CN1CC[C@]2(CCC[N@@H+](CC(C)(C)C)CC2)C1=O ZINC001273532911 808852477 /nfs/dbraw/zinc/85/24/77/808852477.db2.gz QNLFHGGSRNLGMB-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC1(C(=O)N(C)CCC[N@H+](C)CC)CCCCC1 ZINC001273591217 808856940 /nfs/dbraw/zinc/85/69/40/808856940.db2.gz IZJGMDFBFNZNDX-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCCC1CC1)C2 ZINC001273840827 808861634 /nfs/dbraw/zinc/86/16/34/808861634.db2.gz OHWIPRYFBVNJBM-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CN1c2ccccc2[C@]2(CC[N@H+]([C@H](C)CC)C2)C1=O ZINC001273920757 808864307 /nfs/dbraw/zinc/86/43/07/808864307.db2.gz CROWHBHJLFQIMP-DNVCBOLYSA-N 1 1 298.430 3.351 20 30 CGEDMO C=C1CC(C)(C(=O)NCc2ccc3c(c2)C[N@@H+](CCC)C3)C1 ZINC001274034778 808868378 /nfs/dbraw/zinc/86/83/78/808868378.db2.gz AAOJNLKLAPBTLF-UHFFFAOYSA-N 1 1 298.430 3.385 20 30 CGEDMO C#CCCCCC(=O)N[C@H]1CC[N@H+](CCCCC)[C@@H](C)C1 ZINC001274611892 808878995 /nfs/dbraw/zinc/87/89/95/808878995.db2.gz MQQKJNPMGUBJHF-IRXDYDNUSA-N 1 1 292.467 3.339 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)C2(C)CC(=C)C2)C[C@@H]1C ZINC001274643850 808879314 /nfs/dbraw/zinc/87/93/14/808879314.db2.gz MDISVGNOZQBBMG-JKSUJKDBSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](CCC(=C)C)[C@H](C)C1 ZINC001274626572 808880256 /nfs/dbraw/zinc/88/02/56/808880256.db2.gz ZIMXEJSYDZVSLS-CVEARBPZSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)C[C@H](F)CC ZINC001275151332 808917301 /nfs/dbraw/zinc/91/73/01/808917301.db2.gz ZTMTZNFNPQAPQT-HUUCEWRRSA-N 1 1 298.446 3.260 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)CCC1(C)CC1 ZINC001275160344 808919107 /nfs/dbraw/zinc/91/91/07/808919107.db2.gz LWVGRGBAHARPTP-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)c1occc1Cl ZINC001275647437 808954946 /nfs/dbraw/zinc/95/49/46/808954946.db2.gz AXGATNMMTAWISE-NEPJUHHUSA-N 1 1 298.814 3.338 20 30 CGEDMO C#CC[N@H+](C)C[C@@H](C)NC(=O)[C@H](CC)CC1CCCCC1 ZINC001275665618 808955921 /nfs/dbraw/zinc/95/59/21/808955921.db2.gz KKFWGJCDRYFJMA-NVXWUHKLSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@H+](C)C[C@@H](C)NC(=O)C1(CC=C)CCCCC1 ZINC001275729446 808961588 /nfs/dbraw/zinc/96/15/88/808961588.db2.gz MOWLNBGWVQNGDA-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1cccc(F)c1 ZINC001275759140 808964385 /nfs/dbraw/zinc/96/43/85/808964385.db2.gz RHCFLFMXXRBCBY-UONOGXRCSA-N 1 1 292.398 3.231 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)C1C(C)(C)C1(C)C ZINC001275799669 808966806 /nfs/dbraw/zinc/96/68/06/808966806.db2.gz FMGDVACXBDVWAR-CYBMUJFWSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001275962279 808979165 /nfs/dbraw/zinc/97/91/65/808979165.db2.gz DXTHXOKEFIHZGF-ULQDDVLXSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCC[N@H+]1C[C@H](NC(=O)C2(F)CCCC2)C(C)(C)C1 ZINC001276594335 809018776 /nfs/dbraw/zinc/01/87/76/809018776.db2.gz XWZQNECWMRZHMG-AWEZNQCLSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](CC(=C)C)C[C@@H]2C1 ZINC001276829334 809036509 /nfs/dbraw/zinc/03/65/09/809036509.db2.gz GRSBOAXYNLXXNI-IXDOHACOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)C[C@@H](C)C1CCCCC1 ZINC001276940023 809047115 /nfs/dbraw/zinc/04/71/15/809047115.db2.gz JEOZXNVHZFEFHU-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC(=O)N1CC[C@@]2(C1)CCC[N@H+](C[C@H](F)CC)C2 ZINC001277459596 809075953 /nfs/dbraw/zinc/07/59/53/809075953.db2.gz QSPRTXWWTSWEJK-WBVHZDCISA-N 1 1 296.430 3.015 20 30 CGEDMO CCCC[C@@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N2CCCC#N ZINC001277943292 809107340 /nfs/dbraw/zinc/10/73/40/809107340.db2.gz RESCQSKAJYITFL-ZACQAIPSSA-N 1 1 277.456 3.265 20 30 CGEDMO C=CC[N@@H+](C[C@@H](O)CCOCc1ccccc1)C(C)(C)C ZINC001174641196 809114359 /nfs/dbraw/zinc/11/43/59/809114359.db2.gz FLZAWXOWMQBOAB-KRWDZBQOSA-N 1 1 291.435 3.241 20 30 CGEDMO CC(C)(C)C#CC(=O)N[C@]1(C)CC[N@H+](CCC(C)(C)C)C1 ZINC001278389187 809129585 /nfs/dbraw/zinc/12/95/85/809129585.db2.gz QZYHGGCDGNPBFC-GOSISDBHSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@]1(C)CC[N@H+](C/C=C\Cl)C1 ZINC001278394596 809130148 /nfs/dbraw/zinc/13/01/48/809130148.db2.gz BZVSWCREOUOQLJ-DIEDAUMRSA-N 1 1 296.842 3.088 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@]1(C)CC[N@@H+](C/C=C\Cl)C1 ZINC001278394596 809130152 /nfs/dbraw/zinc/13/01/52/809130152.db2.gz BZVSWCREOUOQLJ-DIEDAUMRSA-N 1 1 296.842 3.088 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C2CC2)[C@H]1C ZINC001278514884 809139286 /nfs/dbraw/zinc/13/92/86/809139286.db2.gz AZGLXXWCZKOXST-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)CCCCC(C)C)[C@@H]1C ZINC001278526376 809140477 /nfs/dbraw/zinc/14/04/77/809140477.db2.gz IQZYIICGSHCRHK-IRXDYDNUSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)[C@@H]1CCC(C)(C)C1)C(C)C ZINC001278917812 809155087 /nfs/dbraw/zinc/15/50/87/809155087.db2.gz JMZQMRMUQWYCRK-OAHLLOKOSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(C)C)C2 ZINC001278953456 809158806 /nfs/dbraw/zinc/15/88/06/809158806.db2.gz INIFQHQLRYWQHO-XHSDSOJGSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C(C)CCC(=O)NCC1=CC[N@@H+](CCC(=C)C)CC1 ZINC001279573838 809174929 /nfs/dbraw/zinc/17/49/29/809174929.db2.gz IUHZQMACRNUQCT-UHFFFAOYSA-N 1 1 276.424 3.057 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]2C[N@H+](CCC(=C)C)C[C@H]21 ZINC001279618639 809176222 /nfs/dbraw/zinc/17/62/22/809176222.db2.gz KOGCVXKMRLSUGV-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]2C[N@@H+](C/C=C\Cl)C[C@H]21 ZINC001279618789 809176288 /nfs/dbraw/zinc/17/62/88/809176288.db2.gz OCIBEQRNXIKTEH-FEDKZRLMSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2CCCN(C(=O)CCCC)[C@@H]2C1 ZINC001279598022 809176405 /nfs/dbraw/zinc/17/64/05/809176405.db2.gz UDFXFMRAWSKMFI-YESZJQIVSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)CCC=C)CC1 ZINC001280712396 809195770 /nfs/dbraw/zinc/19/57/70/809195770.db2.gz XYZAZTQPLVHBLH-HZPDHXFCSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)CCC=C)CC1 ZINC001280712397 809196198 /nfs/dbraw/zinc/19/61/98/809196198.db2.gz XYZAZTQPLVHBLH-JKSUJKDBSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCCC(=O)N[C@H]1CCC[N@H+](CC(CC)CC)CC1 ZINC001280710575 809196226 /nfs/dbraw/zinc/19/62/26/809196226.db2.gz RNGIVPWUCUMJLI-INIZCTEOSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC)CCCCC)CC1 ZINC001280776814 809198505 /nfs/dbraw/zinc/19/85/05/809198505.db2.gz LZKVLQTZFCLENP-DLBZAZTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)C1(C2CCC2)CCC1 ZINC001280836337 809201707 /nfs/dbraw/zinc/20/17/07/809201707.db2.gz WEDJBBMEBYIESB-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCN(C)C(=O)C1(C)CC=CC1 ZINC001280856954 809202131 /nfs/dbraw/zinc/20/21/31/809202131.db2.gz OXLSPNIKCYJJJV-INIZCTEOSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[N@H+](CC[C@H](C)F)CC1(C)C ZINC001281556825 809215648 /nfs/dbraw/zinc/21/56/48/809215648.db2.gz MPUVVTXQHZWNEX-LSDHHAIUSA-N 1 1 298.446 3.308 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC(C)=C(C)C)C[C@H]1C ZINC001281669905 809217604 /nfs/dbraw/zinc/21/76/04/809217604.db2.gz KOFBKJQXVBYYBR-CVEARBPZSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](C/C=C/Cl)[C@H](C)C1 ZINC001281677953 809218387 /nfs/dbraw/zinc/21/83/87/809218387.db2.gz XULAQUMMWWAUOK-VAIDBEGPSA-N 1 1 298.858 3.310 20 30 CGEDMO C#CCC[N@H+](CC)CC1CCN(C(=O)C(CC)CC)CC1 ZINC001281825349 809221350 /nfs/dbraw/zinc/22/13/50/809221350.db2.gz SSFFULYGKKMDNR-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]1C[N@@H+](C)CCC1CCCC1 ZINC001281916926 809224177 /nfs/dbraw/zinc/22/41/77/809224177.db2.gz PJCFZHWRXMLKSG-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)CC=C(C)C ZINC001281953459 809224574 /nfs/dbraw/zinc/22/45/74/809224574.db2.gz WBUYSDWGMUZDOR-OAHLLOKOSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC12CCC2 ZINC001281956207 809225173 /nfs/dbraw/zinc/22/51/73/809225173.db2.gz WVJALMQYIXCUHB-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]1C[N@H+](C)CCC(C)C ZINC001281939407 809225203 /nfs/dbraw/zinc/22/52/03/809225203.db2.gz FQLCCSPDKIJZPD-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@](C)(CC)CCC ZINC001281965899 809226328 /nfs/dbraw/zinc/22/63/28/809226328.db2.gz YKKJIZDZFZFUBR-AEFFLSMTSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC1(C(=O)N2CCC[C@H]2C[N@H+](C)CC(C)C)CCC1 ZINC001281957629 809226509 /nfs/dbraw/zinc/22/65/09/809226509.db2.gz SFXHCNMDZVVGBL-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO CC#CC[N@@H+](C)[C@@H](C)CNC(=O)CCCC1CCCCC1 ZINC001282487747 809251609 /nfs/dbraw/zinc/25/16/09/809251609.db2.gz ZWQSAPQGDCJXGL-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1C[N@H+](CC(C)C)CC1(C)C ZINC001282821564 809263069 /nfs/dbraw/zinc/26/30/69/809263069.db2.gz PJVXGDKUFIPIJM-AWEZNQCLSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](CC(C)C)CC1(C)C ZINC001282812583 809264236 /nfs/dbraw/zinc/26/42/36/809264236.db2.gz XBERMBVDYPBSLF-CQSZACIVSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C=C(CC)CC)C[C@H]2C1 ZINC001282944742 809266986 /nfs/dbraw/zinc/26/69/86/809266986.db2.gz BJKUKJYDHNIIOE-ULQDDVLXSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C(=O)C[C@@H]1C=CCC1)C(C)C ZINC001284528751 809305882 /nfs/dbraw/zinc/30/58/82/809305882.db2.gz ZTXRZGQSPHQZAR-QGZVFWFLSA-N 1 1 292.467 3.478 20 30 CGEDMO C[N@@H+](CCSC(F)(F)F)CCc1cccc(C#N)c1 ZINC001175531914 809446289 /nfs/dbraw/zinc/44/62/89/809446289.db2.gz MZXTUHKIPWXXTB-UHFFFAOYSA-N 1 1 288.338 3.286 20 30 CGEDMO C#CC[N@@H+](C[C@H](O)c1ccc(Cl)cc1Cl)C(C)C ZINC001176373654 809682249 /nfs/dbraw/zinc/68/22/49/809682249.db2.gz WBNMNMLBESQNJN-AWEZNQCLSA-N 1 1 286.202 3.370 20 30 CGEDMO N#Cc1csc(C[NH2+]Cc2cc(F)cnc2Cl)c1 ZINC001178826520 809889394 /nfs/dbraw/zinc/88/93/94/809889394.db2.gz DLCNNFSKVFZAPO-UHFFFAOYSA-N 1 1 281.743 3.097 20 30 CGEDMO CC[NH+](CC)CC[C@H](C)NCc1ccc(C2(C#N)CC2)cc1 ZINC001179830754 809948724 /nfs/dbraw/zinc/94/87/24/809948724.db2.gz VWVKHRMBAFPDKL-INIZCTEOSA-N 1 1 299.462 3.452 20 30 CGEDMO CCCCCCC[C@H](C)C(=O)NCCn1cc[nH+]c1C ZINC001181120833 810039160 /nfs/dbraw/zinc/03/91/60/810039160.db2.gz KYOQIZNWZNMVDV-AWEZNQCLSA-N 1 1 279.428 3.304 20 30 CGEDMO C=CCC[C@@H]([NH2+]CC1(C)CCCC1)C(=O)OCC ZINC001181828815 810074888 /nfs/dbraw/zinc/07/48/88/810074888.db2.gz VHCUKHQUBRHZJX-CYBMUJFWSA-N 1 1 253.386 3.054 20 30 CGEDMO C=CCC[C@H]([NH2+][C@@H]1CCC[C@@H]1C(C)C)C(=O)OCC ZINC001181827415 810075301 /nfs/dbraw/zinc/07/53/01/810075301.db2.gz KZRBKBCSICGUSB-KFWWJZLASA-N 1 1 267.413 3.299 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CC(C)(C)CNC(=O)OC(C)(C)C)C1 ZINC001183065440 810136284 /nfs/dbraw/zinc/13/62/84/810136284.db2.gz LHMYSMLGUISDRK-AWEZNQCLSA-N 1 1 296.455 3.435 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]2C[N@H+](CCCC(C)(C)C)C[C@H]21 ZINC001187240085 810391238 /nfs/dbraw/zinc/39/12/38/810391238.db2.gz MGMSPQDWJUXQTE-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]2C[N@H+](CC/C=C/CCC)C[C@H]21 ZINC001187232832 810391270 /nfs/dbraw/zinc/39/12/70/810391270.db2.gz JOLYZAFGWAXUNL-UAEOLWBESA-N 1 1 290.451 3.232 20 30 CGEDMO C/C=C(/C)C(=O)N1CC[C@H]2C[N@H+](CCCCCCC)C[C@H]21 ZINC001187479774 810401254 /nfs/dbraw/zinc/40/12/54/810401254.db2.gz LIOPTSWUAZWSLU-XIENNYHASA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)/C(C)=C/C)[C@@H]2C1 ZINC001187480540 810401297 /nfs/dbraw/zinc/40/12/97/810401297.db2.gz YLLXNMDRHOPWJE-KTHYOXIYSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)CCCC)[C@@H]2C1 ZINC001187749995 810422452 /nfs/dbraw/zinc/42/24/52/810422452.db2.gz LJYRTHMCBYEZLR-AEGPPILISA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)CCCC)[C@@H]2C1 ZINC001187749995 810422459 /nfs/dbraw/zinc/42/24/59/810422459.db2.gz LJYRTHMCBYEZLR-AEGPPILISA-N 1 1 298.858 3.098 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)/C=C(\C)CC)[C@@H]2C1 ZINC001187811797 810425847 /nfs/dbraw/zinc/42/58/47/810425847.db2.gz FNZRIHIRDAVVRU-PYIPWEHNSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)C=C(C)C)C1 ZINC001188718027 810507700 /nfs/dbraw/zinc/50/77/00/810507700.db2.gz QFWPUHHWHXLGBA-INIZCTEOSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@@H+](CCC(C)C)C[C@H]21 ZINC001188894545 810521665 /nfs/dbraw/zinc/52/16/65/810521665.db2.gz BUIOYTWXZJGMGV-YESZJQIVSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)CC)C1 ZINC001188924870 810523468 /nfs/dbraw/zinc/52/34/68/810523468.db2.gz IREZUUJITKUTTF-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]([N@@H+](C)C/C=C/c2ccccc2)C1 ZINC001189280052 810553766 /nfs/dbraw/zinc/55/37/66/810553766.db2.gz PUYQBIFQBVDOBU-MZEUMTGBSA-N 1 1 298.430 3.199 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]([N@H+](C)CC/C=C\CCC)C1 ZINC001189281170 810554359 /nfs/dbraw/zinc/55/43/59/810554359.db2.gz YYVAJYKSKGOCLE-QWGSZXSUSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@@H](C)CC)[C@@H]2C1 ZINC001189522899 810575052 /nfs/dbraw/zinc/57/50/52/810575052.db2.gz QPNPVWMNJJXHHE-YESZJQIVSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)C2CC2)C1 ZINC001189546373 810576811 /nfs/dbraw/zinc/57/68/11/810576811.db2.gz BSBHMXMPKQWBMM-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C#CCCCCC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)CCC=C)C1 ZINC001189744354 810587408 /nfs/dbraw/zinc/58/74/08/810587408.db2.gz QKJRXHANQHSQRK-IRXDYDNUSA-N 1 1 290.451 3.067 20 30 CGEDMO CCCCCCCCC(=O)N1CC[C@H]2C[N@H+](CCF)C[C@H]21 ZINC001189937063 810594732 /nfs/dbraw/zinc/59/47/32/810594732.db2.gz QIYLCJSYISFMOZ-JKSUJKDBSA-N 1 1 298.446 3.239 20 30 CGEDMO CCCCCCCCC(=O)N1CC[C@H]2C[N@@H+](CCF)C[C@H]21 ZINC001189937063 810594734 /nfs/dbraw/zinc/59/47/34/810594734.db2.gz QIYLCJSYISFMOZ-JKSUJKDBSA-N 1 1 298.446 3.239 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[C@H]([N@H+](C)CCC(C)C)C1 ZINC001190328336 810620510 /nfs/dbraw/zinc/62/05/10/810620510.db2.gz HDMFOZDMAOYIQF-KRWDZBQOSA-N 1 1 292.467 3.334 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[C@@H]([N@H+](C)CC(=C)Cl)C1 ZINC001190328673 810620670 /nfs/dbraw/zinc/62/06/70/810620670.db2.gz KDHWKLGEYSSYHU-OAHLLOKOSA-N 1 1 296.842 3.040 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[C@@H]([N@@H+](C)CC(=C)Cl)C1 ZINC001190328673 810620674 /nfs/dbraw/zinc/62/06/74/810620674.db2.gz KDHWKLGEYSSYHU-OAHLLOKOSA-N 1 1 296.842 3.040 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CCCC)C(C)C)[C@@H]2C1 ZINC001190378137 810624924 /nfs/dbraw/zinc/62/49/24/810624924.db2.gz SUHPBCCSDKAIDU-GVDBMIGSSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]([N@H+](C)CC/C=C/CC)C1 ZINC001190428624 810628726 /nfs/dbraw/zinc/62/87/26/810628726.db2.gz MNUMGVDJBPKSFR-MOEXGYKKSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)c2cscc2Cl)C1 ZINC001190808254 810649578 /nfs/dbraw/zinc/64/95/78/810649578.db2.gz GYXSYUNVLDJMSP-NSHDSACASA-N 1 1 298.839 3.124 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC23CC3)C1 ZINC001190901121 810655891 /nfs/dbraw/zinc/65/58/91/810655891.db2.gz VJYBRWWRFIWEOF-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C#CC[NH+](CC#C)Cc1ccc(C(C)(C)CC)cc1 ZINC001191156947 810683020 /nfs/dbraw/zinc/68/30/20/810683020.db2.gz ORRBGDQBRAPGSC-UHFFFAOYSA-N 1 1 253.389 3.443 20 30 CGEDMO C[C@@H](Cc1cccs1)[N@@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC001191464937 810716840 /nfs/dbraw/zinc/71/68/40/810716840.db2.gz UINMMWUCVPZUMC-UONOGXRCSA-N 1 1 292.448 3.056 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CC=CCC2)C1 ZINC001191728455 810732692 /nfs/dbraw/zinc/73/26/92/810732692.db2.gz ZDGREMPFEQGAAZ-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C#CCCCCCC(=O)N1CC[C@@H]([N@H+](C)CCC(C)C)C1 ZINC001191727666 810732870 /nfs/dbraw/zinc/73/28/70/810732870.db2.gz PGMYIMOZSZRTIJ-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001191727089 810732963 /nfs/dbraw/zinc/73/29/63/810732963.db2.gz FUCCWKTUPDMAII-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C/C=C(/C)C=C)C1 ZINC001191827167 810747274 /nfs/dbraw/zinc/74/72/74/810747274.db2.gz AGTWTBPLNJDDOM-QOBZYLRHSA-N 1 1 276.424 3.008 20 30 CGEDMO CC#CCCCC(=O)N1CC[C@H]([N@H+](C)CC/C=C/CC)C1 ZINC001191859956 810753019 /nfs/dbraw/zinc/75/30/19/810753019.db2.gz UGUSXZKAHWWOMA-LKUPDRCFSA-N 1 1 290.451 3.069 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)CC2CC(C)(C)C2)C1 ZINC001191931927 810757877 /nfs/dbraw/zinc/75/78/77/810757877.db2.gz VMSFTOAPXRJKPO-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]([N@H+](C)CC/C=C\CC)C1 ZINC001192094780 810769578 /nfs/dbraw/zinc/76/95/78/810769578.db2.gz VZSUQKRPGKUFPJ-IOBAAEILSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)C2(C)CCCCC2)C1 ZINC001192159862 810772223 /nfs/dbraw/zinc/77/22/23/810772223.db2.gz ABQQIJXPWXHQJR-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C2CCC(=C)CC2)C1 ZINC001192197188 810773535 /nfs/dbraw/zinc/77/35/35/810773535.db2.gz NCEURVQDXXSNKU-QGZVFWFLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C1CCC(C(=O)N2CC[C@H]([N@H+](C)C[C@H](C)CC)C2)CC1 ZINC001192180860 810774168 /nfs/dbraw/zinc/77/41/68/810774168.db2.gz NTRCUYWAGFUSJI-PBHICJAKSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC1(C(=O)N2CC[C@H]([N@H+](C)CCCC)C2)CC1 ZINC001192218941 810777265 /nfs/dbraw/zinc/77/72/65/810777265.db2.gz ZDYFOVGZUOLHFO-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@H]([N@H+](C)C[C@@H](F)CC)C2)CCC1 ZINC001192227576 810779244 /nfs/dbraw/zinc/77/92/44/810779244.db2.gz SKWRHCRHABKMGM-GJZGRUSLSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C2CC3(CC3)C2)C1 ZINC001192294679 810784438 /nfs/dbraw/zinc/78/44/38/810784438.db2.gz NVRPBZLQZZILNN-GDBMZVCRSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)CCC=C(C)C)C1 ZINC001192471478 810801452 /nfs/dbraw/zinc/80/14/52/810801452.db2.gz DEPCFZKIUOSRFI-IAGOWNOFSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@H]([N@@H+](C)CCC(=C)C)C1 ZINC001192587013 810808670 /nfs/dbraw/zinc/80/86/70/810808670.db2.gz YMPHQTHJBVHSSW-HNNXBMFYSA-N 1 1 278.440 3.088 20 30 CGEDMO CCCCCCC[C@H](C)NC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC001192944801 810832313 /nfs/dbraw/zinc/83/23/13/810832313.db2.gz VUWSKMJCNSFSED-JKSUJKDBSA-N 1 1 297.487 3.376 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CCC2(C)CC2)C1 ZINC001193259065 810867281 /nfs/dbraw/zinc/86/72/81/810867281.db2.gz ZHTBQDBIFDZHMU-CVEARBPZSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)C2CCCC2)C1 ZINC001193372505 810880763 /nfs/dbraw/zinc/88/07/63/810880763.db2.gz CUYZFWDJVOWHAL-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)CCCCCCCC)C1 ZINC001193630411 810923134 /nfs/dbraw/zinc/92/31/34/810923134.db2.gz JFWMTKCDUHXLOC-INIZCTEOSA-N 1 1 280.456 3.456 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)c2cc(C)cc(C)c2)C1 ZINC001193696867 810937417 /nfs/dbraw/zinc/93/74/17/810937417.db2.gz URQVAAAZWSDATA-QGZVFWFLSA-N 1 1 286.419 3.026 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)c2cccc(C)c2C)C1 ZINC001193806137 810959843 /nfs/dbraw/zinc/95/98/43/810959843.db2.gz PRBHBQAKSMNLHJ-MRXNPFEDSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)CCCC2CCCC2)C1 ZINC001194335962 811053280 /nfs/dbraw/zinc/05/32/80/811053280.db2.gz DYPFIMOMBBVZNN-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](CCCC)C(C)C)C1 ZINC001194336803 811054709 /nfs/dbraw/zinc/05/47/09/811054709.db2.gz MOOARUDEIHGFTQ-DLBZAZTESA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)C2C(C)(C)C2(C)C)CC1 ZINC001195427753 811253061 /nfs/dbraw/zinc/25/30/61/811253061.db2.gz VWDSNFKPECDZSW-UHFFFAOYSA-N 1 1 292.467 3.169 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](CCCOc2ccccc2C)C1 ZINC001195560196 811267012 /nfs/dbraw/zinc/26/70/12/811267012.db2.gz ZDUJMCJOHLLYMQ-MRXNPFEDSA-N 1 1 257.377 3.109 20 30 CGEDMO C#CCCCC(=O)N1CCC[N@H+](C[C@@H](C)CC(C)C)CC1 ZINC001195675262 811278674 /nfs/dbraw/zinc/27/86/74/811278674.db2.gz VEZIITWXSRGBKS-KRWDZBQOSA-N 1 1 292.467 3.006 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@H](C)[C@@H]1CCO ZINC001195938661 811303576 /nfs/dbraw/zinc/30/35/76/811303576.db2.gz QVBYRRWDRFDJMP-UGSOOPFHSA-N 1 1 286.419 3.158 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)CC(C)(C)CC)CC1 ZINC001195974385 811306832 /nfs/dbraw/zinc/30/68/32/811306832.db2.gz GNNMJWJLBTWSMF-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C2(C3CC3)CC2)CC1 ZINC001196231811 811327962 /nfs/dbraw/zinc/32/79/62/811327962.db2.gz MJMPIEDPOSIZED-HNNXBMFYSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[N@H+]1CCCN(C(=O)C23CCC(CC2)C3)CC1 ZINC001196295713 811333676 /nfs/dbraw/zinc/33/36/76/811333676.db2.gz OOVQAOCLGCLQHO-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C)c(Cl)c2)C1 ZINC001196441760 811342729 /nfs/dbraw/zinc/34/27/29/811342729.db2.gz MOQDPXPCYSQGCE-CYBMUJFWSA-N 1 1 292.810 3.485 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)CC2(C)CC2)CC1 ZINC001196540063 811352159 /nfs/dbraw/zinc/35/21/59/811352159.db2.gz VTQFDRIBUAESMB-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C2(C)CCCC2)CC1 ZINC001196681156 811358688 /nfs/dbraw/zinc/35/86/88/811358688.db2.gz QJDSUFHRAIGCEL-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@H]2CCC2(C)C)CC1 ZINC001196823391 811370194 /nfs/dbraw/zinc/37/01/94/811370194.db2.gz JHGWFRUMCXQWIL-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@H+](CCCCC)CC1 ZINC001196828998 811372751 /nfs/dbraw/zinc/37/27/51/811372751.db2.gz BPMVWMVIUBQCPV-HOTGVXAUSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCCC(=O)N1CCC[N@H+](CCCCCF)CC1 ZINC001197000158 811388925 /nfs/dbraw/zinc/38/89/25/811388925.db2.gz JYOBKUNBOQUDAW-UHFFFAOYSA-N 1 1 284.419 3.017 20 30 CGEDMO C=CCCCCC[N@H+]1CCCN(C(=O)[C@@H]2CC23CC3)CC1 ZINC001197255923 811408006 /nfs/dbraw/zinc/40/80/06/811408006.db2.gz ZUYNNKVBFJBNBR-INIZCTEOSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@H](C)C2CCCC2)CC1 ZINC001197766984 811451666 /nfs/dbraw/zinc/45/16/66/811451666.db2.gz AWESBAQBVXMNSY-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C#CC[N@H+](CC1(C)COC1)[C@@H]1CCCc2ccccc21 ZINC001198104813 811476379 /nfs/dbraw/zinc/47/63/79/811476379.db2.gz SCWRNBVYUGKWHX-QGZVFWFLSA-N 1 1 269.388 3.036 20 30 CGEDMO C#CC[N@H+](CCSC)[C@H]1CCCc2ccccc21 ZINC001198105804 811476892 /nfs/dbraw/zinc/47/68/92/811476892.db2.gz ZHOAXJDAKRMONA-INIZCTEOSA-N 1 1 259.418 3.362 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)C(C)(CC)CC)CC1 ZINC001198176287 811482015 /nfs/dbraw/zinc/48/20/15/811482015.db2.gz QCZVHTZVQSVTHH-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CC[C@H](C(=O)N1CCC[N@@H+](CC=C)CC1)c1ccccc1 ZINC001198190769 811483244 /nfs/dbraw/zinc/48/32/44/811483244.db2.gz UBSDBTCTYRJUOM-SFHVURJKSA-N 1 1 298.430 3.067 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@]1(C)Cc1cccs1 ZINC001198300187 811490377 /nfs/dbraw/zinc/49/03/77/811490377.db2.gz KOWCWBDOTWQRCR-GDBMZVCRSA-N 1 1 279.449 3.472 20 30 CGEDMO C=CCC[C@H]1CCC[N@H+]1Cc1ccc2c[nH]nc2c1 ZINC001198414460 811499214 /nfs/dbraw/zinc/49/92/14/811499214.db2.gz SAJCMDLXFXRPBT-HNNXBMFYSA-N 1 1 255.365 3.494 20 30 CGEDMO C#C[C@@H]1CCCC[N@H+]1C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC001198523985 811511938 /nfs/dbraw/zinc/51/19/38/811511938.db2.gz BHYFPHKDUWMVGO-SQNIBIBYSA-N 1 1 269.388 3.394 20 30 CGEDMO CC[C@@H](C)C[N@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001201516041 811877605 /nfs/dbraw/zinc/87/76/05/811877605.db2.gz TZQFRVQIJMTODE-GDBMZVCRSA-N 1 1 272.392 3.448 20 30 CGEDMO C=CCN1C(=O)CCC[C@@]12CCC[N@H+](CC(CC)CC)C2 ZINC001201523664 811883664 /nfs/dbraw/zinc/88/36/64/811883664.db2.gz UHAUVWKSXYPKIT-SFHVURJKSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCOCc1ncn2c1C[N@@H+](C[C@@H](C)CCC)CCC2 ZINC001201542756 811892840 /nfs/dbraw/zinc/89/28/40/811892840.db2.gz LVRYNCHDONUNPW-HNNXBMFYSA-N 1 1 291.439 3.228 20 30 CGEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](C[C@H](C)CCC)CCO2 ZINC001201544004 811895131 /nfs/dbraw/zinc/89/51/31/811895131.db2.gz MGHQGPCOYNMAHM-FGTMMUONSA-N 1 1 295.467 3.496 20 30 CGEDMO Cc1[nH+]c2ccccn2c1Nc1ccc(C#N)cc1F ZINC001201560648 811903550 /nfs/dbraw/zinc/90/35/50/811903550.db2.gz LOOBIZUUWUOAHE-UHFFFAOYSA-N 1 1 266.279 3.397 20 30 CGEDMO CSCCC[N@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001201691752 811937527 /nfs/dbraw/zinc/93/75/27/811937527.db2.gz DSHPDFMKLZASDT-OAHLLOKOSA-N 1 1 290.432 3.155 20 30 CGEDMO CSCCC[N@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001201692167 811937918 /nfs/dbraw/zinc/93/79/18/811937918.db2.gz JOUCAECIPHDCQX-INIZCTEOSA-N 1 1 290.432 3.155 20 30 CGEDMO CCCCCCC[N@@H+]1Cc2cn(C)nc2[C@H](COCC)C1 ZINC001201762402 811963551 /nfs/dbraw/zinc/96/35/51/811963551.db2.gz JMIMEKSOFILNIN-INIZCTEOSA-N 1 1 293.455 3.326 20 30 CGEDMO CCCCCCC[N@@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001201798494 811966231 /nfs/dbraw/zinc/96/62/31/811966231.db2.gz WPQSKLVKZGNNFV-IYBDPMFKSA-N 1 1 252.446 3.230 20 30 CGEDMO CCCCCCC[NH+]1C[C@H]2C[N@@H+](CCC)C[C@H]2C1 ZINC001201798494 811966234 /nfs/dbraw/zinc/96/62/34/811966234.db2.gz WPQSKLVKZGNNFV-IYBDPMFKSA-N 1 1 252.446 3.230 20 30 CGEDMO CCCCCCC[NH+]1C[C@H]2C[N@H+](CCC)C[C@H]2C1 ZINC001201798494 811966238 /nfs/dbraw/zinc/96/62/38/811966238.db2.gz WPQSKLVKZGNNFV-IYBDPMFKSA-N 1 1 252.446 3.230 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](Oc2ncc(C)cn2)C1 ZINC001201797693 811966260 /nfs/dbraw/zinc/96/62/60/811966260.db2.gz CYHBGHSWMMVWIC-HNNXBMFYSA-N 1 1 277.412 3.209 20 30 CGEDMO CCCCCCCCC[N@H+]1CCO[C@@H]2C[C@@H](CO)C[C@H]21 ZINC001201840046 811969608 /nfs/dbraw/zinc/96/96/08/811969608.db2.gz SGBUTFMWVJQDQH-GVDBMIGSSA-N 1 1 283.456 3.209 20 30 CGEDMO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](CC1CCCC1)C2 ZINC001202140072 812024621 /nfs/dbraw/zinc/02/46/21/812024621.db2.gz VKYGHFAOVSDDPV-GOSISDBHSA-N 1 1 290.451 3.210 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(Cl)cc1 ZINC001202382783 812079903 /nfs/dbraw/zinc/07/99/03/812079903.db2.gz HEFXISMOGPEQIU-AWEZNQCLSA-N 1 1 293.798 3.112 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCC3)CC1 ZINC001203034234 812221788 /nfs/dbraw/zinc/22/17/88/812221788.db2.gz UKIVFDOIMRQALS-CQSZACIVSA-N 1 1 254.377 3.301 20 30 CGEDMO C[C@H](CC#N)[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC001203521061 812382805 /nfs/dbraw/zinc/38/28/05/812382805.db2.gz CKMXYGSSRYVTFM-CYBMUJFWSA-N 1 1 251.333 3.140 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(C)c(OC)cc2C)C1 ZINC001203761064 812458426 /nfs/dbraw/zinc/45/84/26/812458426.db2.gz TYCMLPPMLFUSJR-OAHLLOKOSA-N 1 1 257.377 3.157 20 30 CGEDMO COc1cccc(C[N@H+]2CCc3cc(C#N)ccc3C2)c1 ZINC001203817635 812468955 /nfs/dbraw/zinc/46/89/55/812468955.db2.gz GGYUNNKFJAHPLB-UHFFFAOYSA-N 1 1 278.355 3.125 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCOC[C@H]2C2CCCCC2)cc1 ZINC001203906692 812488499 /nfs/dbraw/zinc/48/84/99/812488499.db2.gz UHEUXBIZAWUCPL-SFHVURJKSA-N 1 1 284.403 3.339 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@@H+](Cc1ccsc1)CC2 ZINC001204034779 812528278 /nfs/dbraw/zinc/52/82/78/812528278.db2.gz OEENCRVIVMEJFD-UHFFFAOYSA-N 1 1 254.358 3.178 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@H+](Cc1ccsc1)CC2 ZINC001204034779 812528282 /nfs/dbraw/zinc/52/82/82/812528282.db2.gz OEENCRVIVMEJFD-UHFFFAOYSA-N 1 1 254.358 3.178 20 30 CGEDMO CCOc1cc(C[N@H+]2CCC[C@@H](C#N)CC2)ccc1OC ZINC001204191741 812570694 /nfs/dbraw/zinc/57/06/94/812570694.db2.gz XEVACXOOXJBBKB-CQSZACIVSA-N 1 1 288.391 3.220 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)cc(F)c1 ZINC001204230452 812580070 /nfs/dbraw/zinc/58/00/70/812580070.db2.gz GXNKQAHTXDIRKN-LYILDCAHSA-N 1 1 262.303 3.231 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)cc(F)c1 ZINC001204230452 812580073 /nfs/dbraw/zinc/58/00/73/812580073.db2.gz GXNKQAHTXDIRKN-LYILDCAHSA-N 1 1 262.303 3.231 20 30 CGEDMO N#Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3ccoc3)C2)cc1 ZINC001204244473 812586580 /nfs/dbraw/zinc/58/65/80/812586580.db2.gz HLCYPOFBRWGTMP-QGZVFWFLSA-N 1 1 282.343 3.195 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)C2CC(F)(F)C2)cc1 ZINC001204297671 812604632 /nfs/dbraw/zinc/60/46/32/812604632.db2.gz MXTZOBMPUIXCES-UHFFFAOYSA-N 1 1 267.319 3.481 20 30 CGEDMO CCc1ccc(C[NH+]2CCN(c3cccc(C#N)c3)CC2)o1 ZINC001204395434 812628029 /nfs/dbraw/zinc/62/80/29/812628029.db2.gz POBBMQRHJAIEQG-UHFFFAOYSA-N 1 1 295.386 3.036 20 30 CGEDMO C=CCC[N@H+](Cc1cnn(C)c1C)Cc1ccccc1 ZINC001204572822 812680064 /nfs/dbraw/zinc/68/00/64/812680064.db2.gz VCFDKDLUSJKDRY-UHFFFAOYSA-N 1 1 269.392 3.307 20 30 CGEDMO C#Cc1ccc(C[N@H+](CCC)CC(=O)OC(C)(C)C)cc1 ZINC001205299233 812939223 /nfs/dbraw/zinc/93/92/23/812939223.db2.gz LSOZEIVKJZMYDU-UHFFFAOYSA-N 1 1 287.403 3.222 20 30 CGEDMO C#Cc1ccc(C[N@@H+](CCC)CC(=O)OC(C)(C)C)cc1 ZINC001205299233 812939230 /nfs/dbraw/zinc/93/92/30/812939230.db2.gz LSOZEIVKJZMYDU-UHFFFAOYSA-N 1 1 287.403 3.222 20 30 CGEDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc(F)c(C#N)c2)cc1 ZINC001205496915 812991652 /nfs/dbraw/zinc/99/16/52/812991652.db2.gz YUJGHEIUNCUTCM-UHFFFAOYSA-N 1 1 297.377 3.395 20 30 CGEDMO N#Cc1cccc(CO[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001205589362 813012971 /nfs/dbraw/zinc/01/29/71/813012971.db2.gz CQBZADDXWOZKAJ-IBGZPJMESA-N 1 1 292.382 3.349 20 30 CGEDMO C=CCCCCCCCC[N@H+]1CCCC[C@](O)(CN)C1 ZINC001205663704 813045907 /nfs/dbraw/zinc/04/59/07/813045907.db2.gz KFNGFEFYJYNUFY-KRWDZBQOSA-N 1 1 282.472 3.079 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CCCC[C@](O)(CN)C1 ZINC001205663704 813045913 /nfs/dbraw/zinc/04/59/13/813045913.db2.gz KFNGFEFYJYNUFY-KRWDZBQOSA-N 1 1 282.472 3.079 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2CCCC2)C1 ZINC001205784477 813076969 /nfs/dbraw/zinc/07/69/69/813076969.db2.gz GZGIDZUMQRGMCB-HLLBOEOZSA-N 1 1 292.467 3.358 20 30 CGEDMO Cc1nc(C[NH+]2CCC(C#Cc3ccccc3)CC2)co1 ZINC001206087453 813196041 /nfs/dbraw/zinc/19/60/41/813196041.db2.gz RDFUHAJJSCOAPV-UHFFFAOYSA-N 1 1 280.371 3.247 20 30 CGEDMO C[C@@H]1Oc2ccccc2[C@H]1[NH2+]CC#Cc1ccccc1 ZINC001206108306 813201496 /nfs/dbraw/zinc/20/14/96/813201496.db2.gz DAUMTDHIVKGMQD-KSSFIOAISA-N 1 1 263.340 3.150 20 30 CGEDMO COc1ccc(Nc2c[nH+]c(N(C)C)cc2C)c(C#N)c1 ZINC001206738102 813413840 /nfs/dbraw/zinc/41/38/40/813413840.db2.gz WJAXAIRZUVZLRL-UHFFFAOYSA-N 1 1 282.347 3.080 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(F)=C(C)C)C1 ZINC001206871884 813457646 /nfs/dbraw/zinc/45/76/46/813457646.db2.gz DJPKSBNINAFXJN-MGPQQGTHSA-N 1 1 282.403 3.041 20 30 CGEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCCC(C)(C)C)C1 ZINC001207093921 813483282 /nfs/dbraw/zinc/48/32/82/813483282.db2.gz RRDXECTWNJLELF-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[C@H]([NH2+][C@H](CC)Cc1ccc(C)cc1)C(=O)OC ZINC001207129456 813492571 /nfs/dbraw/zinc/49/25/71/813492571.db2.gz NVVJZWVDNHZYHY-SJORKVTESA-N 1 1 289.419 3.414 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1C ZINC001207216394 813516899 /nfs/dbraw/zinc/51/68/99/813516899.db2.gz ZIRHANQWGCAFPR-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO N#C[C@H]1CCC[N@H+](CC2CCC(F)(F)CC2)CC1 ZINC001207348665 813547624 /nfs/dbraw/zinc/54/76/24/813547624.db2.gz XGBDVULMLCIIGL-LBPRGKRZSA-N 1 1 256.340 3.438 20 30 CGEDMO CC1(C)C[C@@H](C[N@H+]2CCc3ccc(C#N)cc3C2)CCO1 ZINC001207354087 813548593 /nfs/dbraw/zinc/54/85/93/813548593.db2.gz QSUIMUOEJFFXKM-HNNXBMFYSA-N 1 1 284.403 3.122 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCOC(C)(C)C1 ZINC001207358456 813550411 /nfs/dbraw/zinc/55/04/11/813550411.db2.gz QOFMVRKBUWXLRO-INIZCTEOSA-N 1 1 272.392 3.195 20 30 CGEDMO CC1(C)C[C@H](C[N@@H+](CCC#N)C2CCCC2)CCO1 ZINC001207358447 813550899 /nfs/dbraw/zinc/55/08/99/813550899.db2.gz QMBVMMFEVCDJNC-CQSZACIVSA-N 1 1 264.413 3.350 20 30 CGEDMO CCC[N@H+](CCC#N)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001207374860 813554112 /nfs/dbraw/zinc/55/41/12/813554112.db2.gz SOXPEJRIEZUUJN-CQSZACIVSA-N 1 1 295.427 3.012 20 30 CGEDMO CCC[N@@H+](CCC#N)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001207374860 813554116 /nfs/dbraw/zinc/55/41/16/813554116.db2.gz SOXPEJRIEZUUJN-CQSZACIVSA-N 1 1 295.427 3.012 20 30 CGEDMO COc1ccc(CCC[N@H+]2CCC[C@H](C#N)CC2)cc1 ZINC001207582624 813598412 /nfs/dbraw/zinc/59/84/12/813598412.db2.gz NLAJKDLKYDPXSN-INIZCTEOSA-N 1 1 272.392 3.253 20 30 CGEDMO C[C@@H](CCCC(C)(C)O)CC[N@H+]1CC[C@@](C)(C#N)C1 ZINC001207683205 813635432 /nfs/dbraw/zinc/63/54/32/813635432.db2.gz NLFWXMFKZMYRGR-HOCLYGCPSA-N 1 1 266.429 3.189 20 30 CGEDMO C=CCCCCCCCCC[NH+]1CCN(C#N)CC1 ZINC001207900122 813666982 /nfs/dbraw/zinc/66/69/82/813666982.db2.gz UXGYFGJBZYMPAT-UHFFFAOYSA-N 1 1 263.429 3.392 20 30 CGEDMO C=CCCCCCCCCC[N@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC001207898705 813667420 /nfs/dbraw/zinc/66/74/20/813667420.db2.gz CWMRGYFVYRCKIS-GJZGRUSLSA-N 1 1 284.419 3.191 20 30 CGEDMO C=CCCCCCCCCC[N@@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC001207898705 813667427 /nfs/dbraw/zinc/66/74/27/813667427.db2.gz CWMRGYFVYRCKIS-GJZGRUSLSA-N 1 1 284.419 3.191 20 30 CGEDMO CS[C@@H](C)CC[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001208139153 813704434 /nfs/dbraw/zinc/70/44/34/813704434.db2.gz PKEKGUTXTFQRNN-LBPRGKRZSA-N 1 1 260.406 3.058 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@H](CO)CC2)CC1 ZINC001208170291 813724092 /nfs/dbraw/zinc/72/40/92/813724092.db2.gz HNKZLUSBLXAPBA-DLBZAZTESA-N 1 1 263.425 3.383 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@H](C(=O)N(C)C)C2)CC1 ZINC001208177595 813729091 /nfs/dbraw/zinc/72/90/91/813729091.db2.gz VHLWXOFPMHCCIH-SJORKVTESA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@@H](CCO)C2)CC1 ZINC001208178570 813729246 /nfs/dbraw/zinc/72/92/46/813729246.db2.gz RTVPDWBMTPRLPG-DOTOQJQBSA-N 1 1 263.425 3.383 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCc3nn(C)cc3C2)CC1 ZINC001208177715 813729517 /nfs/dbraw/zinc/72/95/17/813729517.db2.gz XOBBOOFGCVSOKW-OAHLLOKOSA-N 1 1 271.408 3.081 20 30 CGEDMO C=C(C)[C@@H]1CC=C(CN2CCC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC001208178959 813730552 /nfs/dbraw/zinc/73/05/52/813730552.db2.gz YXQDJQFXCWQPRT-FGTMMUONSA-N 1 1 274.452 3.315 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](CCCC(C)C)C[C@H]1C ZINC001208393544 813759815 /nfs/dbraw/zinc/75/98/15/813759815.db2.gz RTBRHXJZWHKJOQ-IXDOHACOSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1C[N@@H+]([C@H](C)CCC=C)C[C@H]1C ZINC001208452425 813761814 /nfs/dbraw/zinc/76/18/14/813761814.db2.gz KQSRDPOIPKBXNG-BZUAXINKSA-N 1 1 278.440 3.134 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CCCCC)C[C@H]1C ZINC001208498142 813763735 /nfs/dbraw/zinc/76/37/35/813763735.db2.gz LWVYOMPJNPYGGS-INMHGKMJSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CC1CCN(C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC001208591132 813768847 /nfs/dbraw/zinc/76/88/47/813768847.db2.gz IDHCGVVHXLYFOS-FQEVSTJZSA-N 1 1 296.458 3.386 20 30 CGEDMO C#CC1CCN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001208591132 813768851 /nfs/dbraw/zinc/76/88/51/813768851.db2.gz IDHCGVVHXLYFOS-FQEVSTJZSA-N 1 1 296.458 3.386 20 30 CGEDMO C[C@@H]1CC[N@@H+](CCCc2cccc(C#N)c2)C[C@H]1F ZINC001208843905 813864202 /nfs/dbraw/zinc/86/42/02/813864202.db2.gz ATKKKDXKOUKCPJ-CZUORRHYSA-N 1 1 260.356 3.171 20 30 CGEDMO C[N@H+](CCCc1cccc(C#N)c1)Cc1cscn1 ZINC001208851311 813867630 /nfs/dbraw/zinc/86/76/30/813867630.db2.gz WDCALUQRDMGAJY-UHFFFAOYSA-N 1 1 271.389 3.079 20 30 CGEDMO C[N@@H+](CCCc1cccc(C#N)c1)Cc1cscn1 ZINC001208851311 813867641 /nfs/dbraw/zinc/86/76/41/813867641.db2.gz WDCALUQRDMGAJY-UHFFFAOYSA-N 1 1 271.389 3.079 20 30 CGEDMO N#Cc1ccc(CCC[N@@H+]2CCCC[C@H](F)C2)cc1 ZINC001208855695 813868821 /nfs/dbraw/zinc/86/88/21/813868821.db2.gz FOBGKQHQUQSXJC-INIZCTEOSA-N 1 1 260.356 3.315 20 30 CGEDMO Cc1cc2c(cn1)C[N@H+](CCCc1ccc(C#N)cc1)C2 ZINC001208862747 813871758 /nfs/dbraw/zinc/87/17/58/813871758.db2.gz PCMSCVKFDQDKHO-UHFFFAOYSA-N 1 1 277.371 3.210 20 30 CGEDMO Cc1cc2c(cn1)C[N@@H+](CCCc1ccc(C#N)cc1)C2 ZINC001208862747 813871768 /nfs/dbraw/zinc/87/17/68/813871768.db2.gz PCMSCVKFDQDKHO-UHFFFAOYSA-N 1 1 277.371 3.210 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCc3nc(Cl)ccc3C2)cc1 ZINC001208926602 813900987 /nfs/dbraw/zinc/90/09/87/813900987.db2.gz VWUNJQYBZUPPAM-UHFFFAOYSA-N 1 1 297.789 3.207 20 30 CGEDMO C[N@@H+](CCc1ccc(C#N)cc1)C[C@H]1Cc2ccccc2O1 ZINC001208928805 813903730 /nfs/dbraw/zinc/90/37/30/813903730.db2.gz LOKQUVMEKIGIGU-GOSISDBHSA-N 1 1 292.382 3.036 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](CCc2ccc(C(F)(F)F)cc2)C1 ZINC001209127045 813943458 /nfs/dbraw/zinc/94/34/58/813943458.db2.gz OTOHFTFOVFSMLZ-CQSZACIVSA-N 1 1 282.309 3.483 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](CCc2ccc(C(F)(F)F)cc2)C1 ZINC001209127045 813943466 /nfs/dbraw/zinc/94/34/66/813943466.db2.gz OTOHFTFOVFSMLZ-CQSZACIVSA-N 1 1 282.309 3.483 20 30 CGEDMO C=CCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC001209157150 813949913 /nfs/dbraw/zinc/94/99/13/813949913.db2.gz PPMATEXYZWGJDD-CQSZACIVSA-N 1 1 282.428 3.284 20 30 CGEDMO C=CCCC[N@@H+]1CCCC12CN(C(=O)OC(C)(C)C)C2 ZINC001209158483 813951906 /nfs/dbraw/zinc/95/19/06/813951906.db2.gz POJFREVEZJUGDE-UHFFFAOYSA-N 1 1 280.412 3.038 20 30 CGEDMO C=CCCCC[N@H+]1CC[C@@H]2OCCC[C@]2(COCC=C)C1 ZINC001209200085 813965542 /nfs/dbraw/zinc/96/55/42/813965542.db2.gz GEZLJZMSTJIZKQ-ZWKOTPCHSA-N 1 1 293.451 3.416 20 30 CGEDMO C=CCCCC[N@H+]1CCCN(C(=O)C2CCCCC2)CC1 ZINC001209207057 813967939 /nfs/dbraw/zinc/96/79/39/813967939.db2.gz JQLZZZGGPUPIAF-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCCCC[N@@H+](C)CC(=O)OCc1ccccc1 ZINC001209208238 813968175 /nfs/dbraw/zinc/96/81/75/813968175.db2.gz OEWPCVJYFSDCIV-UHFFFAOYSA-N 1 1 261.365 3.018 20 30 CGEDMO C=CCCCC[N@H+](C)CC(=O)OCc1ccccc1 ZINC001209208238 813968179 /nfs/dbraw/zinc/96/81/79/813968179.db2.gz OEWPCVJYFSDCIV-UHFFFAOYSA-N 1 1 261.365 3.018 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@@H](N2Cc3ccccc3C2=O)C1 ZINC001209208407 813968461 /nfs/dbraw/zinc/96/84/61/813968461.db2.gz UCXZFJGUYMWTAV-QGZVFWFLSA-N 1 1 298.430 3.463 20 30 CGEDMO C=CCCCCC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@@H]21 ZINC001209422850 814024682 /nfs/dbraw/zinc/02/46/82/814024682.db2.gz JINWUSQZBYVMCO-LSDHHAIUSA-N 1 1 294.439 3.426 20 30 CGEDMO C=CCCCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@@H]21 ZINC001209422850 814024688 /nfs/dbraw/zinc/02/46/88/814024688.db2.gz JINWUSQZBYVMCO-LSDHHAIUSA-N 1 1 294.439 3.426 20 30 CGEDMO C=CCCCCC[N@@H+]1Cc2ccnn2C[C@H](COCC)C1 ZINC001209424844 814025733 /nfs/dbraw/zinc/02/57/33/814025733.db2.gz WFWGGWUXVDLRFP-MRXNPFEDSA-N 1 1 291.439 3.098 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@]2(CCN(CC)C2=O)C1 ZINC001209424805 814026047 /nfs/dbraw/zinc/02/60/47/814026047.db2.gz UOHLNZVNJQASEE-KRWDZBQOSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001209427051 814027673 /nfs/dbraw/zinc/02/76/73/814027673.db2.gz DYMRHVDVKFUICK-ROUUACIJSA-N 1 1 293.451 3.393 20 30 CGEDMO C=CCCCCCN1CCC([N@@H+](CC)[C@@H]2CCOC2)CC1 ZINC001209428513 814030067 /nfs/dbraw/zinc/03/00/67/814030067.db2.gz IZOWFCAHIOCYKO-GOSISDBHSA-N 1 1 294.483 3.308 20 30 CGEDMO C=CCCCCC[N@H+](CC)CC(=O)OC(C)(C)C ZINC001209428478 814030254 /nfs/dbraw/zinc/03/02/54/814030254.db2.gz HENDVJMGHHOGMS-UHFFFAOYSA-N 1 1 255.402 3.396 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](CCC(=O)OC)C1 ZINC001209429106 814030494 /nfs/dbraw/zinc/03/04/94/814030494.db2.gz TXEPXBNKFNGRNQ-CQSZACIVSA-N 1 1 253.386 3.008 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](Oc2ccc(OC)cn2)C1 ZINC001209432209 814033623 /nfs/dbraw/zinc/03/36/23/814033623.db2.gz AYKPVSSLWHSNBI-INIZCTEOSA-N 1 1 290.407 3.290 20 30 CGEDMO C=CCCCCCCN1CCC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001209435548 814036653 /nfs/dbraw/zinc/03/66/53/814036653.db2.gz DYMAJVYGUKNJTF-HOTGVXAUSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CCCCCCC[N@H+]1CCC2SC(=O)C=C2C1 ZINC001209436317 814036986 /nfs/dbraw/zinc/03/69/86/814036986.db2.gz TZUUOJIQVCIDQR-CQSZACIVSA-N 1 1 265.422 3.397 20 30 CGEDMO C=CCCCCCC[N@H+]1CC[C@]2(CCN(C)C2)C1 ZINC001209440123 814038698 /nfs/dbraw/zinc/03/86/98/814038698.db2.gz BPRPWBZPHCUTMV-INIZCTEOSA-N 1 1 250.430 3.151 20 30 CGEDMO C=CCCCCCC[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC001209440123 814038704 /nfs/dbraw/zinc/03/87/04/814038704.db2.gz BPRPWBZPHCUTMV-INIZCTEOSA-N 1 1 250.430 3.151 20 30 CGEDMO C=CCCCCCC[N@H+]1CC[C@@H](Oc2cnccn2)C1 ZINC001209438451 814039173 /nfs/dbraw/zinc/03/91/73/814039173.db2.gz LLCYBQGYQXQSDM-OAHLLOKOSA-N 1 1 275.396 3.066 20 30 CGEDMO C=CCCCCCCC[N@@H+]1C[C@@H]2CCN(C)[C@@H]2C1 ZINC001209440656 814040565 /nfs/dbraw/zinc/04/05/65/814040565.db2.gz ATYMZTAHASOZLS-JKSUJKDBSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CCCCCCC[N@H+]1CCC[C@@H](NC(=O)C2CC2)C1 ZINC001209441158 814041737 /nfs/dbraw/zinc/04/17/37/814041737.db2.gz UEGTYFIYEJFARC-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCCCCCCC[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC001209443121 814042566 /nfs/dbraw/zinc/04/25/66/814042566.db2.gz MFTOEVSILORNHS-KRWDZBQOSA-N 1 1 281.440 3.394 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CCO[C@@H]2C[C@H](CO)C[C@@H]21 ZINC001209443530 814042639 /nfs/dbraw/zinc/04/26/39/814042639.db2.gz UWIDSXIMESPCEE-FGTMMUONSA-N 1 1 295.467 3.375 20 30 CGEDMO C=CCCCCCCCC[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC001209446327 814045700 /nfs/dbraw/zinc/04/57/00/814045700.db2.gz WMEREWKUDWXYGS-KRWDZBQOSA-N 1 1 294.439 3.478 20 30 CGEDMO N#CCC1CC[NH+](Cc2[nH]nc3ccc(Cl)cc32)CC1 ZINC001209755742 814132151 /nfs/dbraw/zinc/13/21/51/814132151.db2.gz OHAAHYDSCYOASN-UHFFFAOYSA-N 1 1 288.782 3.342 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)CCC)C1 ZINC001209775693 814137518 /nfs/dbraw/zinc/13/75/18/814137518.db2.gz DTZNXXOZHFNNJE-OWCLPIDISA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@](C)(CC)CCC)C1 ZINC001209784789 814139526 /nfs/dbraw/zinc/13/95/26/814139526.db2.gz XFZFROMPPLXBPS-BFYDXBDKSA-N 1 1 280.456 3.215 20 30 CGEDMO N#Cc1cc(F)cc(F)c1Nc1ccc2[nH]c[nH+]c2c1 ZINC001209852013 814170750 /nfs/dbraw/zinc/17/07/50/814170750.db2.gz QZSRIEYYVMRJLZ-UHFFFAOYSA-N 1 1 270.242 3.456 20 30 CGEDMO C[C@@H]1CC(=O)C=C(c2cccc(C[NH+](C)C)c2F)C1 ZINC001242743630 823119407 /nfs/dbraw/zinc/11/94/07/823119407.db2.gz XMWIBFVILGZNEN-NSHDSACASA-N 1 1 261.340 3.270 20 30 CGEDMO C=C[C@H](CCCCCCC)OCC[NH+]1CCOCC1 ZINC001210224911 814353727 /nfs/dbraw/zinc/35/37/27/814353727.db2.gz KFFVWXLGHNIVFJ-MRXNPFEDSA-N 1 1 269.429 3.250 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](F)CCCCCC)C1 ZINC001210284886 814380010 /nfs/dbraw/zinc/38/00/10/814380010.db2.gz UQYRIGSYJKEQAJ-BZUAXINKSA-N 1 1 298.446 3.308 20 30 CGEDMO C#Cc1cccnc1N=C1CCC([NH+]2CCCC2)CC1 ZINC001210703799 814588741 /nfs/dbraw/zinc/58/87/41/814588741.db2.gz FFBMTCULBHUVGR-INIZCTEOSA-N 1 1 267.376 3.007 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(CC(C)C)CC(C)C)C1 ZINC001211393434 814889148 /nfs/dbraw/zinc/88/91/48/814889148.db2.gz RMQFBXHZNPMRBF-NVXWUHKLSA-N 1 1 294.483 3.317 20 30 CGEDMO C=CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1cc(C)[nH+]c(C)c1 ZINC001215828569 815608635 /nfs/dbraw/zinc/60/86/35/815608635.db2.gz IWHANPAPYJZKOS-ZBFHGGJFSA-N 1 1 287.407 3.377 20 30 CGEDMO CCCCCCC[C@@H](C)CNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC001221270656 816308423 /nfs/dbraw/zinc/30/84/23/816308423.db2.gz GWNXGPWVBZAUPM-CVEARBPZSA-N 1 1 297.487 3.376 20 30 CGEDMO C=CC(C)(C)CC(=O)N1C[C@H]2CC[N@H+](CCCCC)C[C@H]21 ZINC001221579727 816321191 /nfs/dbraw/zinc/32/11/91/816321191.db2.gz SNDNMXGBIFOIHQ-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1C[C@H]2CC[N@@H+](CC=C(C)C)C[C@H]21 ZINC001221760915 816326958 /nfs/dbraw/zinc/32/69/58/816326958.db2.gz UKRCEESAIGAGSK-GVDBMIGSSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCC1(C(=O)N2C[C@H]3CC[N@H+](CCC)C[C@H]32)CCCC1 ZINC001222151597 816361361 /nfs/dbraw/zinc/36/13/61/816361361.db2.gz JMRWYCVGAOBWDN-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)/C=C(/C)CC)C[C@@H]21 ZINC001222640821 816489230 /nfs/dbraw/zinc/48/92/30/816489230.db2.gz UUHNOMDUFOLCDM-AMCSTGOPSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[C@H](C)CC)C[C@@H]21 ZINC001223744921 816674351 /nfs/dbraw/zinc/67/43/51/816674351.db2.gz AKNJJBREQBYIBE-ZACQAIPSSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H](C)CC(C)C)C[C@@H]21 ZINC001223900355 816701469 /nfs/dbraw/zinc/70/14/69/816701469.db2.gz DMRBMMHLAFMEDU-ZACQAIPSSA-N 1 1 292.467 3.168 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ccccc1C#N ZINC001225197534 816958077 /nfs/dbraw/zinc/95/80/77/816958077.db2.gz OHGVFMNYOHFCNE-KXBFYZLASA-N 1 1 292.382 3.458 20 30 CGEDMO N#CCc1ccc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001225264593 816985991 /nfs/dbraw/zinc/98/59/91/816985991.db2.gz JTOCWEVSXWCHQN-LJQANCHMSA-N 1 1 292.382 3.406 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H](Oc2ccc(C#N)c(F)c2F)C1 ZINC001226017436 817250140 /nfs/dbraw/zinc/25/01/40/817250140.db2.gz KFXDCHCPXLVQDW-LBPRGKRZSA-N 1 1 280.318 3.088 20 30 CGEDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cccc(/C=N/O)c1)C2 ZINC001226114612 817277171 /nfs/dbraw/zinc/27/71/71/817277171.db2.gz NFDHQADEGBGYKC-OZVQWIRISA-N 1 1 288.391 3.277 20 30 CGEDMO Cc1cc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)cc1C#N ZINC001228143650 817823223 /nfs/dbraw/zinc/82/32/23/817823223.db2.gz KQVXHMZMHQXFPY-ZSHCYNCHSA-N 1 1 270.376 3.179 20 30 CGEDMO Cc1cc(O[C@@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)c(C)cc1C#N ZINC001228148674 817824219 /nfs/dbraw/zinc/82/42/19/817824219.db2.gz ZYHHYCRNYFKNSV-JLVBRIDZSA-N 1 1 284.403 3.284 20 30 CGEDMO Cc1cc(O[C@H]2CC[N@H+](C(C)C)C2)c(C)cc1C#N ZINC001228147209 817824450 /nfs/dbraw/zinc/82/44/50/817824450.db2.gz KCSJOJSGVHACPX-HNNXBMFYSA-N 1 1 258.365 3.037 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H](C)CCC ZINC001231140238 818042023 /nfs/dbraw/zinc/04/20/23/818042023.db2.gz VGCAYGXPKCJRGW-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](C)C(C)C ZINC001231179925 818055240 /nfs/dbraw/zinc/05/52/40/818055240.db2.gz XTFNEZNQHMXRAO-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)/C=C/C(C)(C)C ZINC001231253583 818064026 /nfs/dbraw/zinc/06/40/26/818064026.db2.gz AHPYDASNTDFFEE-GDXASINISA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCCCC[N@H+](C)CCCNC(=O)c1ccccc1 ZINC001231352068 818083614 /nfs/dbraw/zinc/08/36/14/818083614.db2.gz MSPXLYCRTFMNOJ-UHFFFAOYSA-N 1 1 288.435 3.485 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)C1CC=CC1 ZINC001231376984 818087429 /nfs/dbraw/zinc/08/74/29/818087429.db2.gz HLJRAJMMRPXWMS-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C[N@@H+](Cc1c[nH]c2cnccc12)Cc1cccc(C#N)c1 ZINC001231520389 818119528 /nfs/dbraw/zinc/11/95/28/818119528.db2.gz VWYGTJGFBWRWRD-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO COc1cc(F)ccc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001231606651 818137208 /nfs/dbraw/zinc/13/72/08/818137208.db2.gz QYNAPWZXPSKQNU-UWEBFBLFSA-N 1 1 274.339 3.101 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2C[C@@H](C)C[C@H]2CF)c1 ZINC001231621345 818138234 /nfs/dbraw/zinc/13/82/34/818138234.db2.gz ZAJXJLRKDFUIFY-ZFWWWQNUSA-N 1 1 263.356 3.431 20 30 CGEDMO C=CCOc1cccc(C[N@H+](CCOC)C(C)C)c1 ZINC001231623702 818139556 /nfs/dbraw/zinc/13/95/56/818139556.db2.gz QRMITDPISSYCHV-UHFFFAOYSA-N 1 1 263.381 3.108 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)c1 ZINC001231659656 818151662 /nfs/dbraw/zinc/15/16/62/818151662.db2.gz QLOIBINOVXLMIH-LJQANCHMSA-N 1 1 277.367 3.241 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)c1 ZINC001231659656 818151663 /nfs/dbraw/zinc/15/16/63/818151663.db2.gz QLOIBINOVXLMIH-LJQANCHMSA-N 1 1 277.367 3.241 20 30 CGEDMO C#Cc1cccc(C[N@H+](CC)Cc2ccccc2O)c1 ZINC001231660349 818151810 /nfs/dbraw/zinc/15/18/10/818151810.db2.gz CVXOWZIKXKPJHH-UHFFFAOYSA-N 1 1 265.356 3.396 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)c1 ZINC001231664543 818153432 /nfs/dbraw/zinc/15/34/32/818153432.db2.gz RPRCBIXWPFJJKA-LJQANCHMSA-N 1 1 295.357 3.460 20 30 CGEDMO COc1cc(N(C)C)ccc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001231855045 818188438 /nfs/dbraw/zinc/18/84/38/818188438.db2.gz PWQSSBZAIOJUPS-FFGGFLGDSA-N 1 1 299.418 3.028 20 30 CGEDMO C[N@@H+](Cc1cc2ccncc2[nH]1)Cc1ccc(C#N)cc1 ZINC001232093248 818253247 /nfs/dbraw/zinc/25/32/47/818253247.db2.gz UYTYOUHPAYHFIL-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO CC[N@@H+](C)C1CCN(Cc2ccc(C#N)c(Cl)c2)CC1 ZINC001232119461 818259909 /nfs/dbraw/zinc/25/99/09/818259909.db2.gz ZICSXHFQXXFPQG-UHFFFAOYSA-N 1 1 291.826 3.128 20 30 CGEDMO N#Cc1ccc(O[C@@H]2CCC[N@H+](Cc3ccns3)C2)cc1 ZINC001232196173 818275414 /nfs/dbraw/zinc/27/54/14/818275414.db2.gz XZEAOWHJJMKICU-OAHLLOKOSA-N 1 1 299.399 3.058 20 30 CGEDMO N#Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3ccns3)C2)cc1 ZINC001232196173 818275424 /nfs/dbraw/zinc/27/54/24/818275424.db2.gz XZEAOWHJJMKICU-OAHLLOKOSA-N 1 1 299.399 3.058 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2c[nH]c3nccc(Cl)c23)C1 ZINC001232459699 818355503 /nfs/dbraw/zinc/35/55/03/818355503.db2.gz JRNSZICVSGKKRW-NSHDSACASA-N 1 1 288.782 3.342 20 30 CGEDMO CC[N@@H+](Cc1ccc(Cl)cc1C#N)C1CCOCC1 ZINC001232606844 818394957 /nfs/dbraw/zinc/39/49/57/818394957.db2.gz CKHKGVBPPBTUOT-UHFFFAOYSA-N 1 1 278.783 3.213 20 30 CGEDMO C[C@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)CC[C@@]1(C)O ZINC001232604774 818395025 /nfs/dbraw/zinc/39/50/25/818395025.db2.gz IJVLTZMWWNYQNT-BLLLJJGKSA-N 1 1 292.810 3.195 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)CC[C@@]1(C)O ZINC001232604774 818395030 /nfs/dbraw/zinc/39/50/30/818395030.db2.gz IJVLTZMWWNYQNT-BLLLJJGKSA-N 1 1 292.810 3.195 20 30 CGEDMO N#Cc1ccc([O-])c(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC001232678666 818417497 /nfs/dbraw/zinc/41/74/97/818417497.db2.gz MLPHQZPHERTZGS-OAHLLOKOSA-N 1 1 296.345 3.392 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](Oc3cccnc3)C2)s1 ZINC001232844063 818455053 /nfs/dbraw/zinc/45/50/53/818455053.db2.gz MPBATADMGYYUIL-AWEZNQCLSA-N 1 1 299.399 3.058 20 30 CGEDMO Cc1ccc(C[NH+]2CC(c3ccccc3)C2)c(C#N)c1 ZINC001232967592 818485679 /nfs/dbraw/zinc/48/56/79/818485679.db2.gz RGUHMJWRRBYBHJ-UHFFFAOYSA-N 1 1 262.356 3.466 20 30 CGEDMO Cc1ccc(C[N@@H+](C)Cc2ccccc2O)c(C#N)c1 ZINC001232967212 818485927 /nfs/dbraw/zinc/48/59/27/818485927.db2.gz GKRHDEZYAPPIHP-UHFFFAOYSA-N 1 1 266.344 3.204 20 30 CGEDMO CC[N@@H+](Cc1cccnc1)Cc1ccc(C#N)cc1C ZINC001233083030 818521933 /nfs/dbraw/zinc/52/19/33/818521933.db2.gz PTVBNMZHERGYMO-UHFFFAOYSA-N 1 1 265.360 3.284 20 30 CGEDMO COCOc1cccc(C[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC001233280852 818563867 /nfs/dbraw/zinc/56/38/67/818563867.db2.gz FMPAQGOPMHUUGZ-UHFFFAOYSA-N 1 1 296.370 3.173 20 30 CGEDMO C=CC[N@H+](Cc1cccc(OCOC)c1)C(C)(C)C ZINC001233282770 818565240 /nfs/dbraw/zinc/56/52/40/818565240.db2.gz FTJQRXXDLWBDJI-UHFFFAOYSA-N 1 1 263.381 3.456 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2O)CCC[C@@H]1C ZINC001233383823 818606180 /nfs/dbraw/zinc/60/61/80/818606180.db2.gz XKOKVFYPJVQJNO-STQMWFEESA-N 1 1 258.365 3.132 20 30 CGEDMO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2O)CCC[C@@H]1C ZINC001233383823 818606181 /nfs/dbraw/zinc/60/61/81/818606181.db2.gz XKOKVFYPJVQJNO-STQMWFEESA-N 1 1 258.365 3.132 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC3(C2)CCCCC3)c([O-])c1 ZINC001233387982 818606253 /nfs/dbraw/zinc/60/62/53/818606253.db2.gz HNLSXSFPPGTOIE-UHFFFAOYSA-N 1 1 270.376 3.420 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC3(C2)CCCCC3)c(O)c1 ZINC001233387982 818606257 /nfs/dbraw/zinc/60/62/57/818606257.db2.gz HNLSXSFPPGTOIE-UHFFFAOYSA-N 1 1 270.376 3.420 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC3(C2)CCCCC3)c(O)c1 ZINC001233387982 818606260 /nfs/dbraw/zinc/60/62/60/818606260.db2.gz HNLSXSFPPGTOIE-UHFFFAOYSA-N 1 1 270.376 3.420 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCC3(CCC3)C2)c([O-])c1 ZINC001233387304 818606652 /nfs/dbraw/zinc/60/66/52/818606652.db2.gz DRORAGGNWDDNEX-UHFFFAOYSA-N 1 1 256.349 3.030 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCCC3(CCC3)C2)c(O)c1 ZINC001233387304 818606658 /nfs/dbraw/zinc/60/66/58/818606658.db2.gz DRORAGGNWDDNEX-UHFFFAOYSA-N 1 1 256.349 3.030 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCC3(CCC3)C2)c(O)c1 ZINC001233387304 818606664 /nfs/dbraw/zinc/60/66/64/818606664.db2.gz DRORAGGNWDDNEX-UHFFFAOYSA-N 1 1 256.349 3.030 20 30 CGEDMO N#Cc1ccc(C[NH+]2CC3(C2)CCCCC3)c(O)c1 ZINC001233387149 818607185 /nfs/dbraw/zinc/60/71/85/818607185.db2.gz WVUSPWJKZGRTKK-UHFFFAOYSA-N 1 1 256.349 3.030 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H](Oc2ccccc2C(=O)CC#N)C1 ZINC001233525871 818634136 /nfs/dbraw/zinc/63/41/36/818634136.db2.gz YGUXFBYPQWQNBB-AWEZNQCLSA-N 1 1 286.375 3.035 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](Oc2ccc(Cl)c(C#N)c2)C1 ZINC001233926232 818732628 /nfs/dbraw/zinc/73/26/28/818732628.db2.gz XVBCIIPHIGSRNE-CYBMUJFWSA-N 1 1 264.756 3.073 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C(C)=C1CCC1 ZINC001234152297 818793653 /nfs/dbraw/zinc/79/36/53/818793653.db2.gz UZXPBVWDTNISIU-YOEHRIQHSA-N 1 1 290.451 3.374 20 30 CGEDMO CCCCCCC[N@@H+](C)CCCNC(=O)[C@@H](C)SC ZINC001234291268 818828810 /nfs/dbraw/zinc/82/88/10/818828810.db2.gz PHCVDHIXZCHXKD-CQSZACIVSA-N 1 1 288.501 3.146 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCC[C@H](C)CC ZINC001234548110 818880670 /nfs/dbraw/zinc/88/06/70/818880670.db2.gz VZXLXCLYHUGASX-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C[N@H+](CCC#N)Cc1cccc(-c2ccccc2)c1O ZINC001234992267 818969446 /nfs/dbraw/zinc/96/94/46/818969446.db2.gz OGDYOOPTKPRFID-UHFFFAOYSA-N 1 1 266.344 3.405 20 30 CGEDMO C[N@@H+](CCC#N)Cc1cccc(-c2ccccc2)c1O ZINC001234992267 818969450 /nfs/dbraw/zinc/96/94/50/818969450.db2.gz OGDYOOPTKPRFID-UHFFFAOYSA-N 1 1 266.344 3.405 20 30 CGEDMO C=CCCCCCCCN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235186847 819028115 /nfs/dbraw/zinc/02/81/15/819028115.db2.gz NKPQHXJVPUGNMV-CVEARBPZSA-N 1 1 250.430 3.054 20 30 CGEDMO C=CCCCCCCCN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001235256727 819053314 /nfs/dbraw/zinc/05/33/14/819053314.db2.gz SVBKXWDAVVONPB-HOTGVXAUSA-N 1 1 250.430 3.197 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccc1CC#N ZINC001235517032 819114147 /nfs/dbraw/zinc/11/41/47/819114147.db2.gz IRGBCPNESDXRHA-UHFFFAOYSA-N 1 1 275.355 3.256 20 30 CGEDMO N#CCc1ccccc1C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC001235522592 819114561 /nfs/dbraw/zinc/11/45/61/819114561.db2.gz HMMZYLZJKMHMKV-QGZVFWFLSA-N 1 1 277.371 3.137 20 30 CGEDMO N#Cc1cc(F)c(C[N@@H+]2CC[C@H](c3cccnc3)C2)c(F)c1 ZINC001235659713 819130303 /nfs/dbraw/zinc/13/03/03/819130303.db2.gz YQJCPSSFQKSRFP-AWEZNQCLSA-N 1 1 299.324 3.221 20 30 CGEDMO N#Cc1cc(F)c(C[N@H+]2CC[C@H](c3cccnc3)C2)c(F)c1 ZINC001235659713 819130306 /nfs/dbraw/zinc/13/03/06/819130306.db2.gz YQJCPSSFQKSRFP-AWEZNQCLSA-N 1 1 299.324 3.221 20 30 CGEDMO C=CCC[N@H+](CC[C@H]1COC(C)(C)N1)Cc1ccccc1 ZINC001235703429 819146442 /nfs/dbraw/zinc/14/64/42/819146442.db2.gz VEOAAFLRNHFIBP-KRWDZBQOSA-N 1 1 288.435 3.179 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1C=CCCC1 ZINC001235775236 819165979 /nfs/dbraw/zinc/16/59/79/819165979.db2.gz BJFJLMUJNLYJKR-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO CCOc1cc(C[N@H+]2CCC[C@@H](C#N)CC2)ccc1F ZINC001235803482 819171228 /nfs/dbraw/zinc/17/12/28/819171228.db2.gz OGBRSXAUTRBCMX-CYBMUJFWSA-N 1 1 276.355 3.350 20 30 CGEDMO C=CC[NH+](CC=C)Cc1c(O)cc(OC)cc1Cl ZINC001236801968 819599576 /nfs/dbraw/zinc/59/95/76/819599576.db2.gz FXCPKKXKLNHUPU-UHFFFAOYSA-N 1 1 267.756 3.228 20 30 CGEDMO COc1cccc(CCC[N@@H+](C)Cc2ccnc(C#N)c2)c1 ZINC001237465738 819756950 /nfs/dbraw/zinc/75/69/50/819756950.db2.gz KNIKDNUFGJDULA-UHFFFAOYSA-N 1 1 295.386 3.026 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@@H](C#N)CC2)c2cc(C#N)ccc21 ZINC001237471690 819759665 /nfs/dbraw/zinc/75/96/65/819759665.db2.gz XTRVEAWPDZSMMJ-CQSZACIVSA-N 1 1 292.386 3.176 20 30 CGEDMO Cn1cc(C[N@@H+](C)C2CCCC2)c2cc(C#N)ccc21 ZINC001237470151 819759753 /nfs/dbraw/zinc/75/97/53/819759753.db2.gz FLHYFUUXOICALL-UHFFFAOYSA-N 1 1 267.376 3.424 20 30 CGEDMO N#Cc1ccc2nc(C[N@H+]3CCC4(C3)CCCCC4)cn2c1 ZINC001237611134 819786353 /nfs/dbraw/zinc/78/63/53/819786353.db2.gz NFAOMIZIYVSXNX-UHFFFAOYSA-N 1 1 294.402 3.362 20 30 CGEDMO C#CC[NH+](CC#C)Cc1ccc(-c2ccc(O)cc2)cc1 ZINC001237664869 819802566 /nfs/dbraw/zinc/80/25/66/819802566.db2.gz AZFGTJIAWXLBBL-UHFFFAOYSA-N 1 1 275.351 3.128 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1cc(Br)c(C)cc1O ZINC001237678760 819806777 /nfs/dbraw/zinc/80/67/77/819806777.db2.gz MAPYMVAIOUPBCP-UHFFFAOYSA-N 1 1 297.196 3.199 20 30 CGEDMO CC[N@H+](CCC#N)Cc1cc(Br)c(C)cc1O ZINC001237678760 819806772 /nfs/dbraw/zinc/80/67/72/819806772.db2.gz MAPYMVAIOUPBCP-UHFFFAOYSA-N 1 1 297.196 3.199 20 30 CGEDMO COc1ccc(C)c(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1 ZINC001237708796 819815977 /nfs/dbraw/zinc/81/59/77/819815977.db2.gz CQZHDJDTNRGUIF-MKZZRHPPSA-N 1 1 270.376 3.270 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@@H+](Cc1cccc3c1OCC3)CC2 ZINC001237745783 819832378 /nfs/dbraw/zinc/83/23/78/819832378.db2.gz KIIFNNSIDOWSQW-UHFFFAOYSA-N 1 1 290.366 3.051 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@H+](Cc1cccc3c1OCC3)CC2 ZINC001237745783 819832383 /nfs/dbraw/zinc/83/23/83/819832383.db2.gz KIIFNNSIDOWSQW-UHFFFAOYSA-N 1 1 290.366 3.051 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(Br)cc1CC ZINC001237749518 819835494 /nfs/dbraw/zinc/83/54/94/819835494.db2.gz LCCBYSXOSDEVKF-UHFFFAOYSA-N 1 1 266.182 3.077 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)c1 ZINC001237753739 819837640 /nfs/dbraw/zinc/83/76/40/819837640.db2.gz NXHMOVKGANSAEJ-UBHSHLNASA-N 1 1 264.731 3.144 20 30 CGEDMO CCCO[C@H]1CC[N@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001237756694 819838278 /nfs/dbraw/zinc/83/82/78/819838278.db2.gz MIDAWTIPDLPVED-HNNXBMFYSA-N 1 1 278.783 3.213 20 30 CGEDMO CCCO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001237756694 819838287 /nfs/dbraw/zinc/83/82/87/819838287.db2.gz MIDAWTIPDLPVED-HNNXBMFYSA-N 1 1 278.783 3.213 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)c(Cl)c1 ZINC001238086609 819928075 /nfs/dbraw/zinc/92/80/75/819928075.db2.gz KLXQXMMMUYKDRH-OBJOEFQTSA-N 1 1 264.731 3.144 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)c(Cl)c1 ZINC001238084084 819928234 /nfs/dbraw/zinc/92/82/34/819928234.db2.gz ZFTGEBCJUBKYRR-CZUORRHYSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)c(Cl)c1 ZINC001238084084 819928239 /nfs/dbraw/zinc/92/82/39/819928239.db2.gz ZFTGEBCJUBKYRR-CZUORRHYSA-N 1 1 290.794 3.213 20 30 CGEDMO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1Cl ZINC001238084870 819928419 /nfs/dbraw/zinc/92/84/19/819928419.db2.gz QNOSPHUJFHYVIO-YIONKMFJSA-N 1 1 290.794 3.353 20 30 CGEDMO C[N@H+](Cc1ccc(Cl)c(C#N)c1)Cc1ccccn1 ZINC001238197087 819955259 /nfs/dbraw/zinc/95/52/59/819955259.db2.gz RXMILPUMDRSFJL-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO C[N@@H+](Cc1ccc(Cl)c(C#N)c1)Cc1ccccn1 ZINC001238197087 819955264 /nfs/dbraw/zinc/95/52/64/819955264.db2.gz RXMILPUMDRSFJL-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO C#CC1CC[NH+](Cc2cc(F)c(F)cc2OCC)CC1 ZINC001238659146 820071456 /nfs/dbraw/zinc/07/14/56/820071456.db2.gz CPVCRQCKLFKWKY-UHFFFAOYSA-N 1 1 279.330 3.209 20 30 CGEDMO CCc1cc(C[N@H+]2C[C@@H](C)C[C@H]2CF)ccc1C#N ZINC001238766494 820111025 /nfs/dbraw/zinc/11/10/25/820111025.db2.gz MVGOGZBKZLPJPR-LRDDRELGSA-N 1 1 260.356 3.301 20 30 CGEDMO CCc1cc(C[N@H+]2CCC[C@@](C)(O)[C@H](C)C2)ccc1C#N ZINC001238765624 820111388 /nfs/dbraw/zinc/11/13/88/820111388.db2.gz GLOMUJFCHUTBMC-RDTXWAMCSA-N 1 1 286.419 3.104 20 30 CGEDMO Cc1[nH+]ccn1-c1ccc(/C=C/c2ccc(C#N)cc2)nn1 ZINC001239283373 820252394 /nfs/dbraw/zinc/25/23/94/820252394.db2.gz AIYUFPADLYGLCU-VOTSOKGWSA-N 1 1 287.326 3.013 20 30 CGEDMO N#Cc1c(F)ccnc1C1=CCC[N@H+](Cc2ccccc2)C1 ZINC001240385894 821008943 /nfs/dbraw/zinc/00/89/43/821008943.db2.gz PPYOAANEUUZGFZ-UHFFFAOYSA-N 1 1 293.345 3.382 20 30 CGEDMO N#Cc1c(F)ccnc1C1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001240385894 821008949 /nfs/dbraw/zinc/00/89/49/821008949.db2.gz PPYOAANEUUZGFZ-UHFFFAOYSA-N 1 1 293.345 3.382 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1-c1ccc2c(c1)CC/C2=N/O ZINC001241251654 821674008 /nfs/dbraw/zinc/67/40/08/821674008.db2.gz YETPIBLYXOJNNR-MNDPQUGUSA-N 1 1 281.359 3.248 20 30 CGEDMO C[N@@H+]1CC=C(c2ccc(C#C[Si](C)(C)C)nc2)CC1 ZINC001241332529 821739365 /nfs/dbraw/zinc/73/93/65/821739365.db2.gz KKTRPBVJVIBSAQ-UHFFFAOYSA-N 1 1 270.452 3.029 20 30 CGEDMO N#Cc1cc(F)cnc1C1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001241501898 821905090 /nfs/dbraw/zinc/90/50/90/821905090.db2.gz YBWZUFMFTNVYQS-UHFFFAOYSA-N 1 1 293.345 3.382 20 30 CGEDMO Cc1cc(N)[nH+]cc1-c1ccc(C2(C#N)CCOCC2)cc1 ZINC001242083676 822341639 /nfs/dbraw/zinc/34/16/39/822341639.db2.gz CGAHVODMKPMIEW-UHFFFAOYSA-N 1 1 293.370 3.211 20 30 CGEDMO Cc1cc(C#N)ccc1-c1cc(-n2ccnc2)cc[nH+]1 ZINC001242473462 823004329 /nfs/dbraw/zinc/00/43/29/823004329.db2.gz ARWKRJCAEMCLAE-UHFFFAOYSA-N 1 1 260.300 3.114 20 30 CGEDMO C[N@@H+]1Cc2ccccc2[C@H](Nc2cc(C#N)cc(Cl)n2)C1 ZINC001339646715 936381454 /nfs/dbraw/zinc/38/14/54/936381454.db2.gz VYHHMMNBDCTLPF-CQSZACIVSA-N 1 1 298.777 3.205 20 30 CGEDMO C=CCC1(C(=O)N(C)C[C@H]2CC[N@@H+]2CC[C@@H](C)F)CCC1 ZINC001479244577 936464128 /nfs/dbraw/zinc/46/41/28/936464128.db2.gz KRSCTGQAQSTEKF-HUUCEWRRSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001346822793 936862878 /nfs/dbraw/zinc/86/28/78/936862878.db2.gz JCYUPBKTYPQNNL-SJORKVTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[N@@H+](C2CCCC2)[C@@H](C)C1 ZINC001349383923 936947940 /nfs/dbraw/zinc/94/79/40/936947940.db2.gz OIBOBEVBNJEVGN-AWEZNQCLSA-N 1 1 278.440 3.064 20 30 CGEDMO Cc1nc(C[N@@H+](C)CCc2cccc(C#N)c2)c(C)s1 ZINC001349676654 936957444 /nfs/dbraw/zinc/95/74/44/936957444.db2.gz QIXPFEBIEDLIEG-UHFFFAOYSA-N 1 1 285.416 3.306 20 30 CGEDMO N#CC1(C[NH2+][C@@H]2CCc3nc(Cl)ccc32)CCC1 ZINC001353933748 937083399 /nfs/dbraw/zinc/08/33/99/937083399.db2.gz ZCAAJPGSSWPEQV-LLVKDONJSA-N 1 1 261.756 3.006 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cnc(CC)o1 ZINC001354494237 937104253 /nfs/dbraw/zinc/10/42/53/937104253.db2.gz IICKOJVMJBQZDY-UHFFFAOYSA-N 1 1 260.337 3.061 20 30 CGEDMO CCC[C@H](C)[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC001354529028 937104849 /nfs/dbraw/zinc/10/48/49/937104849.db2.gz SFYJXROOYKTDCW-HOCLYGCPSA-N 1 1 257.381 3.127 20 30 CGEDMO CCC[C@H](C)[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC001354529028 937104852 /nfs/dbraw/zinc/10/48/52/937104852.db2.gz SFYJXROOYKTDCW-HOCLYGCPSA-N 1 1 257.381 3.127 20 30 CGEDMO C=C(C)CC[N@@H+](CCC)CCNC(=O)c1ccsc1C ZINC001493289796 926795979 /nfs/dbraw/zinc/79/59/79/926795979.db2.gz VXPLKJYKGNZCLA-UHFFFAOYSA-N 1 1 294.464 3.465 20 30 CGEDMO N#CC1(C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCC4)C2)CC1 ZINC001354929658 937116614 /nfs/dbraw/zinc/11/66/14/937116614.db2.gz XHVURYOXUJWFRU-GFCCVEGCSA-N 1 1 287.432 3.115 20 30 CGEDMO N#CC1(C[N@H+]2CCC[C@@H](c3nc4c(s3)CCC4)C2)CC1 ZINC001354929658 937116616 /nfs/dbraw/zinc/11/66/16/937116616.db2.gz XHVURYOXUJWFRU-GFCCVEGCSA-N 1 1 287.432 3.115 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)CCC(C)C ZINC001481026540 926864938 /nfs/dbraw/zinc/86/49/38/926864938.db2.gz ZGCVRHJVNKCALY-HZPDHXFCSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@H+](CCNC(=O)[C@@]1(C)CCC[C@@H]1C)C1CC1 ZINC001481184984 926903924 /nfs/dbraw/zinc/90/39/24/926903924.db2.gz RFWAMJSHUCBNEL-YJBOKZPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[C@H]1CC[N@H+](CC2CC(C)C2)C1 ZINC001481445946 926985300 /nfs/dbraw/zinc/98/53/00/926985300.db2.gz JZGMYTYAKRUHHL-PCKAHOCUSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[C@@H]1CC[N@H+](CC2CC(C)C2)C1 ZINC001481445944 926985759 /nfs/dbraw/zinc/98/57/59/926985759.db2.gz JZGMYTYAKRUHHL-HWOWSKLDSA-N 1 1 292.467 3.073 20 30 CGEDMO CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@](C)(CC)CCC)C1 ZINC001481503415 927006422 /nfs/dbraw/zinc/00/64/22/927006422.db2.gz QBSXSCGBPKIPHA-WMZOPIPTSA-N 1 1 292.467 3.006 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)F)C1 ZINC001481522810 927013280 /nfs/dbraw/zinc/01/32/80/927013280.db2.gz OZEIEQKCHACJHA-CQSZACIVSA-N 1 1 286.435 3.286 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CCC[N@H+](C[C@@H](C)CC)C2)CCC1 ZINC001481528239 927015729 /nfs/dbraw/zinc/01/57/29/927015729.db2.gz APHDJDVJLPFBPH-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCCCC ZINC001481668306 927050320 /nfs/dbraw/zinc/05/03/20/927050320.db2.gz HHWVTJZQIJSVIV-IRXDYDNUSA-N 1 1 290.451 3.045 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](NC(=O)CC(C)C)C1 ZINC001481697579 927060757 /nfs/dbraw/zinc/06/07/57/927060757.db2.gz MJLMUKATNRKFKT-OAHLLOKOSA-N 1 1 268.445 3.193 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001481691950 927061415 /nfs/dbraw/zinc/06/14/15/927061415.db2.gz YGCXVLKTQGMUNX-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)CC(C)C)C1 ZINC001481747245 927078127 /nfs/dbraw/zinc/07/81/27/927078127.db2.gz NYRYZDMJZYBJKY-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)C1(F)CCCCC1 ZINC001482641497 927333730 /nfs/dbraw/zinc/33/37/30/927333730.db2.gz OIMHKOUIOAFYQO-UHFFFAOYSA-N 1 1 284.419 3.015 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)C1(C)C(C)(C)C1(C)C ZINC001482653497 927336431 /nfs/dbraw/zinc/33/64/31/927336431.db2.gz LTKKMPJSEOCZOK-UHFFFAOYSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC)CC[C@H]21 ZINC001482658446 927341446 /nfs/dbraw/zinc/34/14/46/927341446.db2.gz TWOJMXQRLKRJKH-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CCC3(C)CC3)CC[C@H]21 ZINC001482667220 927345359 /nfs/dbraw/zinc/34/53/59/927345359.db2.gz RQRADFSCQMUYKF-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)C[C@H]1CCO[C@@H]1C ZINC001473137457 937164461 /nfs/dbraw/zinc/16/44/61/937164461.db2.gz WFNAPIIBFXXUQK-NVXWUHKLSA-N 1 1 259.393 3.142 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)C(C)C ZINC001483343052 927486119 /nfs/dbraw/zinc/48/61/19/927486119.db2.gz SWBJODMPZANMCU-CQSZACIVSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CC[N@H+](C)C[C@H](C)NC(=O)c1ccccc1C(C)C ZINC001483345407 927485700 /nfs/dbraw/zinc/48/57/00/927485700.db2.gz LVCMEVCGWYZCLJ-AWEZNQCLSA-N 1 1 274.408 3.046 20 30 CGEDMO C=CC[N@H+](C)C[C@@H](C)NC(=O)c1ccccc1C(C)C ZINC001483345408 927486041 /nfs/dbraw/zinc/48/60/41/927486041.db2.gz LVCMEVCGWYZCLJ-CQSZACIVSA-N 1 1 274.408 3.046 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H](C)C[N@@H+](C)CCC(C)(C)C ZINC001483374114 927489968 /nfs/dbraw/zinc/48/99/68/927489968.db2.gz JTCHLCBPIQDUFK-GJZGRUSLSA-N 1 1 282.472 3.461 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)c1cc(F)ccc1C ZINC001483368010 927490742 /nfs/dbraw/zinc/49/07/42/927490742.db2.gz IHXBONMHYPJSBC-AWEZNQCLSA-N 1 1 292.398 3.150 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC(C)(C)C1 ZINC001483383697 927494105 /nfs/dbraw/zinc/49/41/05/927494105.db2.gz LZAXEADZXBLHQR-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001483678869 927569270 /nfs/dbraw/zinc/56/92/70/927569270.db2.gz VCFZSCCCUURLAE-MAUKXSAKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CNC(=O)C[C@H]1CCCCC1(C)C ZINC001483709427 927581799 /nfs/dbraw/zinc/58/17/99/927581799.db2.gz XRIBUSOZTXVSBG-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@@]2(CC[N@H+](CCCC)C2)C1 ZINC001483849652 927635224 /nfs/dbraw/zinc/63/52/24/927635224.db2.gz ZMPRXYSZMCWDCH-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001358112424 937188219 /nfs/dbraw/zinc/18/82/19/937188219.db2.gz UADFUPRSAGBEDF-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)CCC(=C)C)C[C@H]2C1 ZINC001484409634 927703482 /nfs/dbraw/zinc/70/34/82/927703482.db2.gz UOMLCEIVINJHBO-ZACQAIPSSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](C)CC ZINC001484458631 927706673 /nfs/dbraw/zinc/70/66/73/927706673.db2.gz BZRPZBFXWSPGQK-BRWVUGGUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C=C(CC)CC ZINC001484455714 927707033 /nfs/dbraw/zinc/70/70/33/927707033.db2.gz AYGOYYVGZPLJJO-IRXDYDNUSA-N 1 1 290.451 3.374 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)CC=C ZINC001485070965 927802702 /nfs/dbraw/zinc/80/27/02/927802702.db2.gz GYDPHJSKTXCEAC-HNNXBMFYSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](C)[C@H]1C(=O)OC(C)(C)C ZINC001473571712 937200139 /nfs/dbraw/zinc/20/01/39/937200139.db2.gz OUOQEXHCZUIXHK-STQMWFEESA-N 1 1 253.386 3.005 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](C)[C@H]1C(=O)OC(C)(C)C ZINC001473571712 937200142 /nfs/dbraw/zinc/20/01/42/937200142.db2.gz OUOQEXHCZUIXHK-STQMWFEESA-N 1 1 253.386 3.005 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)CC(C)=C(C)C ZINC001485479617 927875438 /nfs/dbraw/zinc/87/54/38/927875438.db2.gz FQGIROGGZOCEPK-INIZCTEOSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1CCCCC[N@@H+]1CC[C@H](C)F ZINC001485480572 927879730 /nfs/dbraw/zinc/87/97/30/927879730.db2.gz PTTLFWKWNWMLTA-GJZGRUSLSA-N 1 1 298.446 3.308 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)CC(C)C)C(C)(C)C1 ZINC001485582864 927887931 /nfs/dbraw/zinc/88/79/31/927887931.db2.gz VDVLMEYIOUQXTM-OAHLLOKOSA-N 1 1 294.483 3.461 20 30 CGEDMO C#CCC[N@@H+]1C[C@H](NC(=O)CCCCC(C)C)C(C)(C)C1 ZINC001485579265 927889107 /nfs/dbraw/zinc/88/91/07/927889107.db2.gz JOVCYMBPGLLQGL-INIZCTEOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)/C(C)=C/C)C[C@@H]2C1 ZINC001485652591 927894925 /nfs/dbraw/zinc/89/49/25/927894925.db2.gz DTWRVGSSPQSYBM-KZXAMELUSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCCCCC[N@H+]1CCOc2ccccc2[C@@H]1CO ZINC001473825438 937202314 /nfs/dbraw/zinc/20/23/14/937202314.db2.gz RLRZGBXXTMLDDQ-INIZCTEOSA-N 1 1 275.392 3.161 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000184094712 927929282 /nfs/dbraw/zinc/92/92/82/927929282.db2.gz KVWNKCSBEBRNMS-AWEZNQCLSA-N 1 1 277.387 3.454 20 30 CGEDMO C#CCCCC(=O)N1CC[C@H](C[N@H+](C)CC(CC)CC)C1 ZINC001494125614 927985613 /nfs/dbraw/zinc/98/56/13/927985613.db2.gz PFCMZZGMZXSNNP-QGZVFWFLSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@]2(NC(=O)CCC)CCC[C@@H]12 ZINC001486134548 927987644 /nfs/dbraw/zinc/98/76/44/927987644.db2.gz FNZPJAKURCHWQG-ZMSDIMECSA-N 1 1 278.440 3.254 20 30 CGEDMO C=C(C)CCC(=O)N[C@]12CCC[C@@H]1[N@@H+](CCCC)CC2 ZINC001486145825 927989224 /nfs/dbraw/zinc/98/92/24/927989224.db2.gz LRFXXWPIWWXQEN-RDJZCZTQSA-N 1 1 278.440 3.256 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C(C)C)[C@@H]1C ZINC001486173929 927994917 /nfs/dbraw/zinc/99/49/17/927994917.db2.gz OLXYWUVEGYLRPR-LSDHHAIUSA-N 1 1 280.456 3.214 20 30 CGEDMO C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H](C)CC)CC1 ZINC001486435145 928022085 /nfs/dbraw/zinc/02/20/85/928022085.db2.gz SFSDBDOIINLKQE-WCQYABFASA-N 1 1 286.847 3.002 20 30 CGEDMO C=CC(C)(C)CC(=O)NCC1=CC[N@@H+](CC[C@H](C)F)CC1 ZINC001486509521 928029061 /nfs/dbraw/zinc/02/90/61/928029061.db2.gz NDFJTROGOMGXTP-AWEZNQCLSA-N 1 1 296.430 3.085 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)C[C@@H]2C=CCCC2)CC1 ZINC001486509660 928032210 /nfs/dbraw/zinc/03/22/10/928032210.db2.gz UWJZQFBBJXVWBM-MRXNPFEDSA-N 1 1 288.435 3.057 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC001171209097 928201443 /nfs/dbraw/zinc/20/14/43/928201443.db2.gz HZBUGPAZQACFQU-DVOMOZLQSA-N 1 1 260.356 3.169 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[N@H+](CCCC)CC(C)(C)C1 ZINC001489343211 928328444 /nfs/dbraw/zinc/32/84/44/928328444.db2.gz DNRKNLMZGSWAAI-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@@H]1CCCCN1C(=O)C=C1CCC1 ZINC001489321421 928329213 /nfs/dbraw/zinc/32/92/13/928329213.db2.gz FONZEQMGIANJGY-HNNXBMFYSA-N 1 1 296.842 3.162 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)C=C1CCC1 ZINC001489321421 928329220 /nfs/dbraw/zinc/32/92/20/928329220.db2.gz FONZEQMGIANJGY-HNNXBMFYSA-N 1 1 296.842 3.162 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)CC(C)(C)CC)C1 ZINC001490438300 928354577 /nfs/dbraw/zinc/35/45/77/928354577.db2.gz DNFRSKUFJBGJNP-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCCNC(=O)[C@H]1CC12CCCC2 ZINC001490354637 928356967 /nfs/dbraw/zinc/35/69/67/928356967.db2.gz IBUATIDKQNJSLY-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@H](NC(=O)C2=CCCC2)C1 ZINC001490532706 928366364 /nfs/dbraw/zinc/36/63/64/928366364.db2.gz XTFQSMVPTHDKBL-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)CC2CCCC2)C1 ZINC001490563506 928372939 /nfs/dbraw/zinc/37/29/39/928372939.db2.gz NZHKEMJRJMURPR-IRXDYDNUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001492956780 937244472 /nfs/dbraw/zinc/24/44/72/937244472.db2.gz NARPNXKLDOKMTE-LSDHHAIUSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)C[C@@H](C)CCC)C1 ZINC001317753973 928396891 /nfs/dbraw/zinc/39/68/91/928396891.db2.gz NVVAJTGEWDTJLH-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc([C@H]3C[C@H]3C)o2)C1 ZINC001320084568 928489074 /nfs/dbraw/zinc/48/90/74/928489074.db2.gz BJPNDXVIHSWJEL-NFAWXSAZSA-N 1 1 261.365 3.180 20 30 CGEDMO CNc1ccc(C)cc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC001461992439 928771785 /nfs/dbraw/zinc/77/17/85/928771785.db2.gz BHLHWGODHCGERI-INIZCTEOSA-N 1 1 257.381 3.162 20 30 CGEDMO CNc1ccc(C)cc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC001461992439 928771793 /nfs/dbraw/zinc/77/17/93/928771793.db2.gz BHLHWGODHCGERI-INIZCTEOSA-N 1 1 257.381 3.162 20 30 CGEDMO C=CC[N@H+]1CCCN(C(=O)c2oc3ccccc3c2C)CC1 ZINC000072252549 928798435 /nfs/dbraw/zinc/79/84/35/928798435.db2.gz QWHQABJEICCYAJ-UHFFFAOYSA-N 1 1 298.386 3.075 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)c2oc3ccccc3c2C)CC1 ZINC000072252549 928798438 /nfs/dbraw/zinc/79/84/38/928798438.db2.gz QWHQABJEICCYAJ-UHFFFAOYSA-N 1 1 298.386 3.075 20 30 CGEDMO C=CC(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](C)F ZINC001490974682 928823127 /nfs/dbraw/zinc/82/31/27/928823127.db2.gz MWRXZHPFQYMEIO-AVOUXACISA-N 1 1 296.430 3.058 20 30 CGEDMO C[C@H]1CCCC(=[NH+]n2cc(Br)cn2)C1 ZINC000752746157 928829089 /nfs/dbraw/zinc/82/90/89/928829089.db2.gz GPFQZWRNVHUNIK-QMMMGPOBSA-N 1 1 256.147 3.060 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)c2ccco2)C1 ZINC001491090942 928831311 /nfs/dbraw/zinc/83/13/11/928831311.db2.gz PRLQACQBFNVMAG-CABCVRRESA-N 1 1 290.407 3.076 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@H]1CCC[N@H+](C[C@@H](F)CC)C1 ZINC001491117481 928834158 /nfs/dbraw/zinc/83/41/58/928834158.db2.gz IDQNVUIMNHNPNP-CABCVRRESA-N 1 1 298.446 3.165 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)C[C@H](C)C2CC2)C1 ZINC001491133524 928835678 /nfs/dbraw/zinc/83/56/78/928835678.db2.gz MRNXFRWNSIYBGW-HOTGVXAUSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)/C(C)=C\CC ZINC001491199244 928842205 /nfs/dbraw/zinc/84/22/05/928842205.db2.gz GVEFVASSEQHNFD-YMDFIQGPSA-N 1 1 278.440 3.280 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)/C(C)=C/CC ZINC001491199243 928842248 /nfs/dbraw/zinc/84/22/48/928842248.db2.gz GVEFVASSEQHNFD-WPBGYSLVSA-N 1 1 278.440 3.280 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCC[N@H+]1CCC1CC1 ZINC001491224417 928845640 /nfs/dbraw/zinc/84/56/40/928845640.db2.gz IHILTAHYTNYTSW-FUHWJXTLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)/C=C(/C)C2CC2)C1 ZINC001491280117 928852184 /nfs/dbraw/zinc/85/21/84/928852184.db2.gz HJKOKVWWTXTMHK-DXEZKJKHSA-N 1 1 290.451 3.136 20 30 CGEDMO CCCCCCCC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC001439249930 937315257 /nfs/dbraw/zinc/31/52/57/937315257.db2.gz LTWXRLXFMJJWHE-HUUCEWRRSA-N 1 1 298.496 3.043 20 30 CGEDMO CCCCCCCC[C@@H](C)C(=O)NC[C@H]1CC[N@H+]1C ZINC001439522504 937318867 /nfs/dbraw/zinc/31/88/67/937318867.db2.gz CJHZJTCLZAWMFW-HUUCEWRRSA-N 1 1 268.445 3.193 20 30 CGEDMO CCCCCCC[C@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001441959117 937340073 /nfs/dbraw/zinc/34/00/73/937340073.db2.gz OPOOBTYKBXIZCQ-HOTGVXAUSA-N 1 1 282.472 3.441 20 30 CGEDMO CC[C@@H](C)[N@@H+](CCO[C@@H](C)C#N)CCc1ccccc1F ZINC001459384184 937486812 /nfs/dbraw/zinc/48/68/12/937486812.db2.gz DZDQILLYUBCCKM-CABCVRRESA-N 1 1 292.398 3.397 20 30 CGEDMO C[C@H](C#N)C[N@H+](C)C[C@H]1CCC2(CCCCCC2)O1 ZINC001459410081 937487648 /nfs/dbraw/zinc/48/76/48/937487648.db2.gz DUWVIZPHGWOHBF-HUUCEWRRSA-N 1 1 264.413 3.350 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C)C[C@H]1CCC2(CCCCCC2)O1 ZINC001459410081 937487651 /nfs/dbraw/zinc/48/76/51/937487651.db2.gz DUWVIZPHGWOHBF-HUUCEWRRSA-N 1 1 264.413 3.350 20 30 CGEDMO C=CCC[NH+]1CCN([C@H](CC)c2ccccc2)CC1 ZINC001459578539 937492525 /nfs/dbraw/zinc/49/25/25/937492525.db2.gz LORSERCZTYOBQL-QGZVFWFLSA-N 1 1 258.409 3.331 20 30 CGEDMO C[C@H](Cc1cccs1)[N@@H+](C)CCCSCC#N ZINC001459626274 937493888 /nfs/dbraw/zinc/49/38/88/937493888.db2.gz GXJWFMLQPLJQCX-GFCCVEGCSA-N 1 1 268.451 3.258 20 30 CGEDMO CC(C)[C@@H]1CCCCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC001459830951 937502491 /nfs/dbraw/zinc/50/24/91/937502491.db2.gz NXMJZSYLELCCTO-ZWKOTPCHSA-N 1 1 286.419 3.492 20 30 CGEDMO C[C@@H](C#N)C[N@H+](Cc1ccc([Si](C)(C)C)cc1)C1CC1 ZINC001459880475 937504323 /nfs/dbraw/zinc/50/43/23/937504323.db2.gz XLANEFRUSKYIHM-AWEZNQCLSA-N 1 1 286.495 3.356 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](Cc1ccc([Si](C)(C)C)cc1)C1CC1 ZINC001459880475 937504326 /nfs/dbraw/zinc/50/43/26/937504326.db2.gz XLANEFRUSKYIHM-AWEZNQCLSA-N 1 1 286.495 3.356 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](CCOc2ccc(F)cc2Cl)C1 ZINC001460306855 937525571 /nfs/dbraw/zinc/52/55/71/937525571.db2.gz AYUWIMFBZLUICS-GFCCVEGCSA-N 1 1 281.758 3.203 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](CCSc2cccc(OC)c2)C1 ZINC001460763380 937544166 /nfs/dbraw/zinc/54/41/66/937544166.db2.gz YOSYEZXOHHIHRX-CQSZACIVSA-N 1 1 275.417 3.133 20 30 CGEDMO C=CCC[C@@H]1CCC[N@H+]1Cc1csc(C(=O)OCC)n1 ZINC001460888600 937550878 /nfs/dbraw/zinc/55/08/78/937550878.db2.gz GJRAXPYAWURIGX-CYBMUJFWSA-N 1 1 294.420 3.250 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1csc(C(=O)OCC)n1 ZINC001460888600 937550881 /nfs/dbraw/zinc/55/08/81/937550881.db2.gz GJRAXPYAWURIGX-CYBMUJFWSA-N 1 1 294.420 3.250 20 30 CGEDMO COc1ccc(CC[N@@H+](C)Cc2ccc(C#N)c(F)c2)cc1 ZINC001139528979 931953849 /nfs/dbraw/zinc/95/38/49/931953849.db2.gz APKMBRBEVCMBDD-UHFFFAOYSA-N 1 1 298.361 3.380 20 30 CGEDMO N#Cc1ccc2[nH]cc(C[N@@H+]3CCc4occc4C3)c2c1 ZINC001140115566 931955898 /nfs/dbraw/zinc/95/58/98/931955898.db2.gz HEZAZMRDLGUSEB-UHFFFAOYSA-N 1 1 277.327 3.191 20 30 CGEDMO N#Cc1ccc2[nH]cc(C[N@H+]3CCc4occc4C3)c2c1 ZINC001140115566 931955902 /nfs/dbraw/zinc/95/59/02/931955902.db2.gz HEZAZMRDLGUSEB-UHFFFAOYSA-N 1 1 277.327 3.191 20 30 CGEDMO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]c2ccc(C#N)cc12 ZINC001140116126 931955929 /nfs/dbraw/zinc/95/59/29/931955929.db2.gz SAGLOUBMBMIEGA-XYPWUTKMSA-N 1 1 295.386 3.181 20 30 CGEDMO N#Cc1ccc(Cl)c(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c1 ZINC001140601701 931959478 /nfs/dbraw/zinc/95/94/78/931959478.db2.gz YZGSDGJTWXFGSP-CYBMUJFWSA-N 1 1 282.721 3.443 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)C1CCC(C)(C)CC1 ZINC001157177120 931979200 /nfs/dbraw/zinc/97/92/00/931979200.db2.gz LENDHQKTMANMMV-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO Cc1nc(O[C@H]2CC[N@H+](C(C)C)C2)c(C#N)c(C)c1Cl ZINC001227828157 932043033 /nfs/dbraw/zinc/04/30/33/932043033.db2.gz NDSLXOBXBWOGDO-LBPRGKRZSA-N 1 1 293.798 3.085 20 30 CGEDMO C=CC[C@@H]1CCCN(C(=O)N[C@H](C)C[N@H+](CC)CCC)C1 ZINC001229350044 932136962 /nfs/dbraw/zinc/13/69/62/932136962.db2.gz DCBMCIOXALNOEY-HZPDHXFCSA-N 1 1 295.471 3.105 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(F)c(N(C)C)cc1F ZINC001462017744 937612847 /nfs/dbraw/zinc/61/28/47/937612847.db2.gz WERYKVSWWMIVAK-UHFFFAOYSA-N 1 1 268.351 3.429 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(Cl)o1 ZINC001230759286 932620705 /nfs/dbraw/zinc/62/07/05/932620705.db2.gz QNZJWHZMJANKNH-GFCCVEGCSA-N 1 1 296.798 3.046 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)CC ZINC001230809526 932626440 /nfs/dbraw/zinc/62/64/40/932626440.db2.gz GESMLSCYNXNVMK-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO CC(C)c1c(C#N)cccc1O[C@@H]1CCC[N@@H+](C)C1 ZINC001234853575 932687636 /nfs/dbraw/zinc/68/76/36/932687636.db2.gz GDQPPFPWDSHOGN-CQSZACIVSA-N 1 1 258.365 3.155 20 30 CGEDMO C[C@@H]([NH2+]CC(C)(C)C#N)c1ccnn1-c1ccccc1 ZINC001331966849 932727750 /nfs/dbraw/zinc/72/77/50/932727750.db2.gz ZAHWWLAGCDEBLQ-CYBMUJFWSA-N 1 1 268.364 3.073 20 30 CGEDMO C=C[C@@H](C(=O)N(C)C[C@H]1CC[N@H+]1CC(=C)C)c1ccccc1 ZINC001316608210 932747880 /nfs/dbraw/zinc/74/78/80/932747880.db2.gz FWWAZUXJZIMVRO-QZTJIDSGSA-N 1 1 298.430 3.065 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)/C(C)=C\C)C1 ZINC001316642063 932754091 /nfs/dbraw/zinc/75/40/91/932754091.db2.gz JNKYOXQQBRQCNX-VLSXRJLXSA-N 1 1 298.430 3.113 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)CCC(C)C)C1 ZINC001491906427 932797183 /nfs/dbraw/zinc/79/71/83/932797183.db2.gz HEKOGEHEHVUDIB-CQSZACIVSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)CCC(C)C)C1 ZINC001491906427 932797185 /nfs/dbraw/zinc/79/71/85/932797185.db2.gz HEKOGEHEHVUDIB-CQSZACIVSA-N 1 1 286.847 3.098 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC23CC3)C1 ZINC001491931580 932798819 /nfs/dbraw/zinc/79/88/19/932798819.db2.gz BCFLFBHSRHFJER-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1c(Cl)ccnc1F)C(C)(C)C ZINC001462294203 937630719 /nfs/dbraw/zinc/63/07/19/937630719.db2.gz HYMNINHEBNOVKJ-LLVKDONJSA-N 1 1 254.736 3.012 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)C2(CC=C)CCCC2)C1 ZINC001317383932 932862346 /nfs/dbraw/zinc/86/23/46/932862346.db2.gz IWYUFULRPFSTQW-MRXNPFEDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[C@@H](C)[N@@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC001307468563 932955884 /nfs/dbraw/zinc/95/58/84/932955884.db2.gz AUWBJIBHJFLHDN-IUODEOHRSA-N 1 1 292.810 3.342 20 30 CGEDMO C=CCCCC[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC001307472164 932958467 /nfs/dbraw/zinc/95/84/67/932958467.db2.gz XXCVHSPNEBXVCD-QGZVFWFLSA-N 1 1 286.419 3.470 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](CC2([C@@H]3CCCCO3)CCC2)C1 ZINC001307606299 932975763 /nfs/dbraw/zinc/97/57/63/932975763.db2.gz GZWPRPTUOKBHBQ-HOTGVXAUSA-N 1 1 279.424 3.003 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC001307680861 932985504 /nfs/dbraw/zinc/98/55/04/932985504.db2.gz YBOKBOQMUHEVBQ-HOTGVXAUSA-N 1 1 257.377 3.250 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)C[C@@H]1CC2(CO1)CCCCC2 ZINC001307729355 932992356 /nfs/dbraw/zinc/99/23/56/932992356.db2.gz LHHQWZVHXUIFTL-KRWDZBQOSA-N 1 1 294.483 3.166 20 30 CGEDMO C=CC[N@@H+](C)CCN(CC)C[C@@H]1CC2(CO1)CCCCC2 ZINC001307729355 932992358 /nfs/dbraw/zinc/99/23/58/932992358.db2.gz LHHQWZVHXUIFTL-KRWDZBQOSA-N 1 1 294.483 3.166 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C[C@@H]1CC2(CO1)CCCCC2 ZINC001307729355 932992361 /nfs/dbraw/zinc/99/23/61/932992361.db2.gz LHHQWZVHXUIFTL-KRWDZBQOSA-N 1 1 294.483 3.166 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@H](C)[C@H]1C(=O)OC(C)(C)C ZINC001307860851 933009407 /nfs/dbraw/zinc/00/94/07/933009407.db2.gz SDIRVXMSNPWAPQ-KBPBESRZSA-N 1 1 267.413 3.395 20 30 CGEDMO C=CC[N@@H+](Cc1c(C)cc(C#N)cc1C)[C@@H](C)COC ZINC001307923242 933019753 /nfs/dbraw/zinc/01/97/53/933019753.db2.gz GDLLVCUEOLAFNJ-HNNXBMFYSA-N 1 1 272.392 3.198 20 30 CGEDMO C#CC[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001308067443 933043043 /nfs/dbraw/zinc/04/30/43/933043043.db2.gz HJMMORHVGMLIJA-HNNXBMFYSA-N 1 1 257.764 3.037 20 30 CGEDMO C[N@H+]1C[C@@]23CN([C@H](C#N)c4ccccc4)C[C@]2(C1)CCCC3 ZINC001308169578 933063911 /nfs/dbraw/zinc/06/39/11/933063911.db2.gz CVULOKGVLMGBCG-QRVBRYPASA-N 1 1 295.430 3.059 20 30 CGEDMO CCc1ccc2c(c1)CC[N@@H+](Cc1ccc(C#N)o1)C2 ZINC001308171566 933065652 /nfs/dbraw/zinc/06/56/52/933065652.db2.gz VGXBNRARWCJQLM-UHFFFAOYSA-N 1 1 266.344 3.272 20 30 CGEDMO CCc1ccc2c(c1)CC[N@H+](Cc1ccc(C#N)o1)C2 ZINC001308171566 933065653 /nfs/dbraw/zinc/06/56/53/933065653.db2.gz VGXBNRARWCJQLM-UHFFFAOYSA-N 1 1 266.344 3.272 20 30 CGEDMO C#CC[N@@H+](Cc1cccc2c1OCO2)C1CCCCC1 ZINC001308589398 933137922 /nfs/dbraw/zinc/13/79/22/933137922.db2.gz DMXKTIJQQKPNRX-UHFFFAOYSA-N 1 1 271.360 3.183 20 30 CGEDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1cc(C#N)ccc1N(C)C ZINC001308620171 933145374 /nfs/dbraw/zinc/14/53/74/933145374.db2.gz RKGJECABSBSMHV-XJKSGUPXSA-N 1 1 271.408 3.245 20 30 CGEDMO C=CCC[C@H]([NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)C(=O)OCC ZINC001308770001 933174028 /nfs/dbraw/zinc/17/40/28/933174028.db2.gz PGKPGJKZHVSNRU-YJNKXOJESA-N 1 1 265.397 3.053 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CC2(CCC2)[C@H]1C1CC1 ZINC001308802972 933180771 /nfs/dbraw/zinc/18/07/71/933180771.db2.gz OFHDNHREAWHVDE-QGZVFWFLSA-N 1 1 251.373 3.303 20 30 CGEDMO CC(C)(CC#N)C[NH2+]Cc1c(Cl)ccnc1Cl ZINC001308811007 933181955 /nfs/dbraw/zinc/18/19/55/933181955.db2.gz JDVBEKKRZIYMDN-UHFFFAOYSA-N 1 1 272.179 3.418 20 30 CGEDMO C=CCCCN(CC)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC001311400347 933294709 /nfs/dbraw/zinc/29/47/09/933294709.db2.gz JEJWDIGZWSFIJD-HZPDHXFCSA-N 1 1 295.471 3.247 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H](C)CC(C)(C)C ZINC001317511369 933306253 /nfs/dbraw/zinc/30/62/53/933306253.db2.gz QZUWVYYINCBTOK-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCCN(CC)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC001311691727 933310430 /nfs/dbraw/zinc/31/04/30/933310430.db2.gz ZTKUBVBPKZFFQD-HOTGVXAUSA-N 1 1 295.471 3.105 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)CCC1(C)CC1 ZINC001328779716 933462855 /nfs/dbraw/zinc/46/28/55/933462855.db2.gz ISSLTLAXQJRRCS-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)CCCCC)CC(C)(C)C1 ZINC001316807787 933467141 /nfs/dbraw/zinc/46/71/41/933467141.db2.gz JNZPAQMEMLLOES-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]2C[N@@H+](CCC)CC[C@H]21 ZINC001317106282 933472284 /nfs/dbraw/zinc/47/22/84/933472284.db2.gz UHHZTRDZAHKSIV-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C=C(CC)CC)C[C@@H]2C1 ZINC001316751638 933478445 /nfs/dbraw/zinc/47/84/45/933478445.db2.gz ANHDIBSQKZOHQL-SJORKVTESA-N 1 1 290.451 3.089 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)CCCCCC)[C@H]1C ZINC001316794963 933483662 /nfs/dbraw/zinc/48/36/62/933483662.db2.gz BBKGDXTXBHEXHP-BBWFWOEESA-N 1 1 292.467 3.195 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1occc1Cl ZINC001316804131 933483765 /nfs/dbraw/zinc/48/37/65/933483765.db2.gz BXEMZUDGOBZRJP-LBPRGKRZSA-N 1 1 296.798 3.046 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)CC2(C)CCCCC2)C1 ZINC001316943158 933499289 /nfs/dbraw/zinc/49/92/89/933499289.db2.gz FNILWQVKAJLEIM-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C)C(CC)CC)C1 ZINC001316945636 933500603 /nfs/dbraw/zinc/50/06/03/933500603.db2.gz QNIBANQCBMSGHI-ZBFHGGJFSA-N 1 1 280.456 3.215 20 30 CGEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](CCCC)C(C)C)C1 ZINC001316953503 933501398 /nfs/dbraw/zinc/50/13/98/933501398.db2.gz MEZIQESKWAFSTO-IRXDYDNUSA-N 1 1 292.467 3.053 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CCCC)C(C)C)C1 ZINC001316953503 933501400 /nfs/dbraw/zinc/50/14/00/933501400.db2.gz MEZIQESKWAFSTO-IRXDYDNUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CCC(=C)C)C1 ZINC001316950819 933501903 /nfs/dbraw/zinc/50/19/03/933501903.db2.gz UWKIONDYTKYNPM-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C2(CCC)CCC2)C1 ZINC001316949794 933503407 /nfs/dbraw/zinc/50/34/07/933503407.db2.gz ZTZOWQOEXQCPHW-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)C2CCCCC2)C1 ZINC001316987358 933505278 /nfs/dbraw/zinc/50/52/78/933505278.db2.gz BSHQTXHGGINYDL-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@H+](CC/C=C/CC)C1 ZINC001316979029 933505660 /nfs/dbraw/zinc/50/56/60/933505660.db2.gz HTLQSVIGTHHLKL-MVGZEHJDSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2(CC(C)C)CCCC2)C1 ZINC001316990030 933508184 /nfs/dbraw/zinc/50/81/84/933508184.db2.gz JXKBSTCRAUFLFK-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(CC(C)C)C(=O)NC[C@H]1CCCC[N@@H+]1CCCC ZINC001464565572 937692369 /nfs/dbraw/zinc/69/23/69/937692369.db2.gz ZSQKOFGTWDHHFE-MRXNPFEDSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)CC(C)C)C1 ZINC001317145053 933543062 /nfs/dbraw/zinc/54/30/62/933543062.db2.gz WIHRHPNZQTUDLE-MRXNPFEDSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)CCCCC(C)C ZINC001317177652 933546663 /nfs/dbraw/zinc/54/66/63/933546663.db2.gz XBCFLTVIXQTSST-INIZCTEOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C/C(C)=C\CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](CC(=C)C)C1 ZINC001317208796 933554011 /nfs/dbraw/zinc/55/40/11/933554011.db2.gz LIXRCJSCJMYXCD-DNQJIUQOSA-N 1 1 290.451 3.302 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@]2(C)C=CCC2)C1 ZINC001317377736 933580009 /nfs/dbraw/zinc/58/00/09/933580009.db2.gz DXVGCNWSKOIQEI-AEFFLSMTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)/C=C(/C)CC)C1 ZINC001317373499 933580155 /nfs/dbraw/zinc/58/01/55/933580155.db2.gz ONGYMYFMARAIEH-UQTJOTSZSA-N 1 1 284.831 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)/C=C(/C)CC)C1 ZINC001317373499 933580162 /nfs/dbraw/zinc/58/01/62/933580162.db2.gz ONGYMYFMARAIEH-UQTJOTSZSA-N 1 1 284.831 3.018 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001317445693 933593530 /nfs/dbraw/zinc/59/35/30/933593530.db2.gz FHSQSGIHLSIYLD-OWCLPIDISA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC[N@H+](C)CC1CCC(C)CC1 ZINC001317458328 933596310 /nfs/dbraw/zinc/59/63/10/933596310.db2.gz GPHLXCXMJWJGBV-UHFFFAOYSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCNC(=O)C1CCC(C)(C)CC1 ZINC001317471205 933600976 /nfs/dbraw/zinc/60/09/76/933600976.db2.gz FCHTWSLTHCCFEF-UHFFFAOYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)c1cc2cc(C)ccc2[nH]1 ZINC001317483896 933603407 /nfs/dbraw/zinc/60/34/07/933603407.db2.gz LQVSZBMGXLVFFD-UHFFFAOYSA-N 1 1 299.418 3.104 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)CC(C)C ZINC001317508329 933606596 /nfs/dbraw/zinc/60/65/96/933606596.db2.gz KFSAZJYZGKMIOC-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)c1cccs1 ZINC001317511234 933608129 /nfs/dbraw/zinc/60/81/29/933608129.db2.gz XBWKZKTVAOCQOH-KGLIPLIRSA-N 1 1 292.448 3.008 20 30 CGEDMO C=CCCC[N@H+](CCNC(=O)/C=C\C(C)(C)C)C1CC1 ZINC001317549146 933616925 /nfs/dbraw/zinc/61/69/25/933616925.db2.gz LKUUYFXZQMYDAI-KHPPLWFESA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)c2ccoc2)C1 ZINC001317774372 933647265 /nfs/dbraw/zinc/64/72/65/933647265.db2.gz HUAPVVFPISLUJU-CABCVRRESA-N 1 1 290.407 3.076 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2sccc2C)C1 ZINC001317824165 933653908 /nfs/dbraw/zinc/65/39/08/933653908.db2.gz MEDCVPXHHUWLOX-AWEZNQCLSA-N 1 1 292.448 3.027 20 30 CGEDMO C=C(C)CC[N@H+](C)CC1CCN(C(=O)[C@@H](C)C(C)C)CC1 ZINC001317880056 933660476 /nfs/dbraw/zinc/66/04/76/933660476.db2.gz PMDYKDIWGKPCQJ-INIZCTEOSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCCC[N@H+](C)CC1CCN(C(=O)CCC2CC2)CC1 ZINC001317868853 933660839 /nfs/dbraw/zinc/66/08/39/933660839.db2.gz MSRGWAFRHMBYIO-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H](NC(=O)C2CCCCCC2)C1 ZINC001318320419 933709329 /nfs/dbraw/zinc/70/93/29/933709329.db2.gz XOLQGWAVIFIGFA-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CCC(C)C)C1 ZINC001318383282 933718917 /nfs/dbraw/zinc/71/89/17/933718917.db2.gz ZUYYPSJBXOWLAX-HZPDHXFCSA-N 1 1 280.456 3.310 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)C2(C)CC=CC2)C1 ZINC001318425502 933723802 /nfs/dbraw/zinc/72/38/02/933723802.db2.gz QATRJDVGSXIKGU-CVEARBPZSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C2(C)CC=CC2)C1 ZINC001318425506 933724438 /nfs/dbraw/zinc/72/44/38/933724438.db2.gz QATRJDVGSXIKGU-JKSUJKDBSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)c2ccco2)C1 ZINC001318453244 933730390 /nfs/dbraw/zinc/73/03/90/933730390.db2.gz KFVCOLWGKWUSMP-LSDHHAIUSA-N 1 1 290.407 3.171 20 30 CGEDMO C=CCC[C@@H](CCC)[NH2+]C[C@@H]1CN2CCC1CC2 ZINC001474734620 933820122 /nfs/dbraw/zinc/82/01/22/933820122.db2.gz ALOWPWVOJRDUMA-HZPDHXFCSA-N 1 1 250.430 3.053 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)[C@H]1CCCC[C@@H]1C1CC1 ZINC001467728761 937721456 /nfs/dbraw/zinc/72/14/56/937721456.db2.gz OVEVMTIXQGTDPT-SJORKVTESA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)[C@H]1[C@H](C=C(C)C)C1(C)C ZINC001467727949 937721463 /nfs/dbraw/zinc/72/14/63/937721463.db2.gz XNONNVDYUGLUGI-JKSUJKDBSA-N 1 1 292.467 3.191 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)C=C1CCCCC1 ZINC001319979255 933970965 /nfs/dbraw/zinc/97/09/65/933970965.db2.gz STTPSVGOKQYCSV-UHFFFAOYSA-N 1 1 278.440 3.233 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)[C@H]1C[C@H]1C1CCCC1 ZINC001320067454 933993629 /nfs/dbraw/zinc/99/36/29/933993629.db2.gz RHJDRLACZBXJLP-IRXDYDNUSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](C[C@H](CC)c2ccccc2)C1 ZINC001320378845 934039238 /nfs/dbraw/zinc/03/92/38/934039238.db2.gz LBNZRVRSVFEFCE-RDJZCZTQSA-N 1 1 259.393 3.457 20 30 CGEDMO CCOC(=O)C1([NH2+]CCCCC(C)(C)C#N)CCCC1 ZINC001320831454 934111149 /nfs/dbraw/zinc/11/11/49/934111149.db2.gz RXTKPYKJLSCTFG-UHFFFAOYSA-N 1 1 280.412 3.172 20 30 CGEDMO C=CCn1cnn(C[N@@H+](C(CC)CC)C2CC2)c1=S ZINC001321840301 934216165 /nfs/dbraw/zinc/21/61/65/934216165.db2.gz HMMLWRUZHDQRPP-UHFFFAOYSA-N 1 1 280.441 3.211 20 30 CGEDMO C=CCn1cnn(C[N@H+](C(CC)CC)C2CC2)c1=S ZINC001321840301 934216176 /nfs/dbraw/zinc/21/61/76/934216176.db2.gz HMMLWRUZHDQRPP-UHFFFAOYSA-N 1 1 280.441 3.211 20 30 CGEDMO C=CCn1cnn(C[N@@H+](C)[C@H]2CCC[C@@H](C)C2)c1=S ZINC001322024946 934232128 /nfs/dbraw/zinc/23/21/28/934232128.db2.gz MPUWRTULWVPTPC-OLZOCXBDSA-N 1 1 280.441 3.068 20 30 CGEDMO C=CCn1cnn(C[N@H+](C)[C@H]2CCC[C@@H](C)C2)c1=S ZINC001322024946 934232140 /nfs/dbraw/zinc/23/21/40/934232140.db2.gz MPUWRTULWVPTPC-OLZOCXBDSA-N 1 1 280.441 3.068 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)/C=C/c1ccco1 ZINC001322103595 934243747 /nfs/dbraw/zinc/24/37/47/934243747.db2.gz JWOQVAGXLURRJP-UNNWNWIUSA-N 1 1 290.407 3.084 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)C1(CC)CCC1 ZINC001322224230 934261507 /nfs/dbraw/zinc/26/15/07/934261507.db2.gz PZUZVNXPQILFGE-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC[N@H+](C)C[C@H](C)NC(=O)c1ccc(C(C)(C)C)s1 ZINC001322299424 934273458 /nfs/dbraw/zinc/27/34/58/934273458.db2.gz UGLVLAODZJEXMQ-LBPRGKRZSA-N 1 1 294.464 3.282 20 30 CGEDMO C=CCC1(C(=O)N[C@H](C)C[N@H+](C)CCC)CCCCC1 ZINC001322307690 934274639 /nfs/dbraw/zinc/27/46/39/934274639.db2.gz RMQDKNIPRKSFJT-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC1(C(=O)N[C@@H](C)C[N@H+](C)C/C=C\Cl)CCCC1 ZINC001322312115 934277054 /nfs/dbraw/zinc/27/70/54/934277054.db2.gz DFEMJNPAKGENHY-JOHMGYAOSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCC1(C(=O)N[C@@H](C)C[N@@H+](C)C/C=C\Cl)CCCC1 ZINC001322312115 934277057 /nfs/dbraw/zinc/27/70/57/934277057.db2.gz DFEMJNPAKGENHY-JOHMGYAOSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CC[C@@H](C)NC(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001471116204 937761620 /nfs/dbraw/zinc/76/16/20/937761620.db2.gz PZKXMNADJBQCGD-GDBMZVCRSA-N 1 1 293.455 3.047 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C=C(CC)CC ZINC001323215743 934374126 /nfs/dbraw/zinc/37/41/26/934374126.db2.gz ZOPINWDSMYNIMX-GOEBONIOSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)C(C)(C)CCCCC ZINC001323358115 934389579 /nfs/dbraw/zinc/38/95/79/934389579.db2.gz RRNMPUQTFWBRLO-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)CCCCC ZINC001323358115 934389590 /nfs/dbraw/zinc/38/95/90/934389590.db2.gz RRNMPUQTFWBRLO-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CC[N@@H+]2CCC(=C)C)CCCC1 ZINC001323369869 934390913 /nfs/dbraw/zinc/39/09/13/934390913.db2.gz DLQHQHCHGBACHN-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)CCCC)CC2)C1 ZINC001323628332 934414141 /nfs/dbraw/zinc/41/41/41/934414141.db2.gz KWKPBIZMVPVVTB-KRWDZBQOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCO[C@H]1CC[N@H+]([C@H](C)c2ccc(F)cc2F)C1 ZINC001323729084 934421465 /nfs/dbraw/zinc/42/14/65/934421465.db2.gz OKDOHTLNQOKGNJ-YPMHNXCESA-N 1 1 267.319 3.303 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+]([C@@H]2CCc3c2cccc3F)C1 ZINC001323729641 934422444 /nfs/dbraw/zinc/42/24/44/934422444.db2.gz PSDVJMMQRKOFQG-MLGOLLRUSA-N 1 1 261.340 3.090 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccc3nc(C)ccc3c2)C1 ZINC001324346185 934488908 /nfs/dbraw/zinc/48/89/08/934488908.db2.gz XTFCMGMMLIUAOP-KRWDZBQOSA-N 1 1 282.387 3.320 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)[C@H](CCC)C(C)C)C1 ZINC001324655497 934541345 /nfs/dbraw/zinc/54/13/45/934541345.db2.gz FJMKCFKBKHTRFR-WBVHZDCISA-N 1 1 280.456 3.215 20 30 CGEDMO CC(C)[N@@H+](CCc1ccccc1)Cc1cc(C#N)ccn1 ZINC001473125108 937793601 /nfs/dbraw/zinc/79/36/01/937793601.db2.gz LAOAKSUJQMMLTB-UHFFFAOYSA-N 1 1 279.387 3.406 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cc(C(=O)OCC)no1 ZINC001473179404 937795932 /nfs/dbraw/zinc/79/59/32/937795932.db2.gz QCOVBTJSPBMWHC-UHFFFAOYSA-N 1 1 280.368 3.030 20 30 CGEDMO C#CC[N@@H+](CC#CC)CCCSCc1ccccc1 ZINC001473191082 937796307 /nfs/dbraw/zinc/79/63/07/937796307.db2.gz WIYJKVSFHBNMLW-UHFFFAOYSA-N 1 1 271.429 3.268 20 30 CGEDMO CC[C@H]1CCCC[C@H]1[N@@H+](C)Cc1cncc(C#N)c1 ZINC001473389347 937804320 /nfs/dbraw/zinc/80/43/20/937804320.db2.gz SSCIGHFLJWYHHY-JKSUJKDBSA-N 1 1 257.381 3.354 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](C[C@@H](OC)C2CCCCC2)C1 ZINC001473581070 937812708 /nfs/dbraw/zinc/81/27/08/937812708.db2.gz HBOJXAZKSCAIGA-NVXWUHKLSA-N 1 1 263.425 3.317 20 30 CGEDMO CCOc1ccc2c(c1)C[N@@H+]([C@H]1CC[C@@H](C#N)C1)CC2 ZINC001324926833 934872898 /nfs/dbraw/zinc/87/28/98/934872898.db2.gz BCUAMTGSJQFUTD-CJNGLKHVSA-N 1 1 270.376 3.136 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)C2=CCCCCC2)C1 ZINC001324929047 934873544 /nfs/dbraw/zinc/87/35/44/934873544.db2.gz TWMPMAXLRYRUHC-SFHVURJKSA-N 1 1 290.451 3.281 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)C2CC(C)(C)C2)C1 ZINC001324929133 934874702 /nfs/dbraw/zinc/87/47/02/934874702.db2.gz UXQGTDNJTNYXFP-GOSISDBHSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@]1(C)CCC[N@H+](C(C)C)C1 ZINC001324959047 934876689 /nfs/dbraw/zinc/87/66/89/934876689.db2.gz ZSUFINHDZBBGRZ-IRXDYDNUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H](CNC(=O)CC)c1ccccc1CC ZINC001325360101 934908016 /nfs/dbraw/zinc/90/80/16/934908016.db2.gz BNMCRKDIZDBSCM-HNNXBMFYSA-N 1 1 294.826 3.158 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](C)[C@H]1C(=O)OC(C)(C)C ZINC001473571710 937812262 /nfs/dbraw/zinc/81/22/62/937812262.db2.gz OUOQEXHCZUIXHK-OLZOCXBDSA-N 1 1 253.386 3.005 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](C)[C@H]1C(=O)OC(C)(C)C ZINC001473571710 937812264 /nfs/dbraw/zinc/81/22/64/937812264.db2.gz OUOQEXHCZUIXHK-OLZOCXBDSA-N 1 1 253.386 3.005 20 30 CGEDMO C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@H](C)[C@@H](C)CC)C[C@H]2C1 ZINC001325766800 934928593 /nfs/dbraw/zinc/92/85/93/934928593.db2.gz QTRLGYWWTVLPLW-VVLHAWIVSA-N 1 1 292.467 3.025 20 30 CGEDMO C#CC[N@@H+](Cc1cccc(OC(C)(C)C)c1)C1CSC1 ZINC001473630411 937814704 /nfs/dbraw/zinc/81/47/04/937814704.db2.gz RUDJNWHGWLEVJM-UHFFFAOYSA-N 1 1 289.444 3.415 20 30 CGEDMO C#CC[N@H+](Cc1cccc(OC(C)(C)C)c1)C1CSC1 ZINC001473630411 937814706 /nfs/dbraw/zinc/81/47/06/937814706.db2.gz RUDJNWHGWLEVJM-UHFFFAOYSA-N 1 1 289.444 3.415 20 30 CGEDMO C#CC[N@@H+](CCCCc1ccccc1)C1CSC1 ZINC001473629573 937814816 /nfs/dbraw/zinc/81/48/16/937814816.db2.gz GEQFWAUBQNGXNU-UHFFFAOYSA-N 1 1 259.418 3.060 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCCC[C@@H]1[C@@H](C)CO ZINC001473632376 937814942 /nfs/dbraw/zinc/81/49/42/937814942.db2.gz YDHLTSKBVROKBJ-MAUKXSAKSA-N 1 1 286.419 3.158 20 30 CGEDMO C=CCCCCC[N@H+]1CC2(CCCC2)OC[C@@H]1CN(C)C ZINC001473652076 937816166 /nfs/dbraw/zinc/81/61/66/937816166.db2.gz YLDFHRPFIGFOQG-KRWDZBQOSA-N 1 1 294.483 3.308 20 30 CGEDMO C=CCCCCC[N@@H+]1CC2(CCCC2)OC[C@@H]1CN(C)C ZINC001473652076 937816168 /nfs/dbraw/zinc/81/61/68/937816168.db2.gz YLDFHRPFIGFOQG-KRWDZBQOSA-N 1 1 294.483 3.308 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H]1CC(=O)OCC ZINC001326618960 934994621 /nfs/dbraw/zinc/99/46/21/934994621.db2.gz FQOAUPXTOKFBGH-CQSZACIVSA-N 1 1 253.386 3.150 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC001327156748 935037906 /nfs/dbraw/zinc/03/79/06/935037906.db2.gz MOVLTPZTQFQFMC-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@@H](C)c1ccsc1 ZINC001327257785 935048402 /nfs/dbraw/zinc/04/84/02/935048402.db2.gz JULRVNWCUDTZEC-AWEZNQCLSA-N 1 1 294.464 3.208 20 30 CGEDMO C=CCC[N@H+]1Cc2ccc(CNC(=O)C=C3CCC3)cc2C1 ZINC001327684646 935077330 /nfs/dbraw/zinc/07/73/30/935077330.db2.gz DVWAOFBTIAYQKI-UHFFFAOYSA-N 1 1 296.414 3.305 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC(CC)CC)C[C@H]1C ZINC001328282084 935127954 /nfs/dbraw/zinc/12/79/54/935127954.db2.gz XRGGKCCYTGNICY-ZBFHGGJFSA-N 1 1 280.456 3.358 20 30 CGEDMO CCCCCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C(F)F ZINC001328706598 935162305 /nfs/dbraw/zinc/16/23/05/935162305.db2.gz YAOKLRVLXKQDOF-ZDUSSCGKSA-N 1 1 290.398 3.145 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)c1csc(C)c1C ZINC001329449529 935217175 /nfs/dbraw/zinc/21/71/75/935217175.db2.gz GWAOYISLVUWNJB-GFCCVEGCSA-N 1 1 294.464 3.381 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC=CCCC1 ZINC001329473645 935219041 /nfs/dbraw/zinc/21/90/41/935219041.db2.gz BEMSLMVTIXGXIU-CVEARBPZSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)c1cc(C(C)C)oc1C ZINC001329590758 935231368 /nfs/dbraw/zinc/23/13/68/935231368.db2.gz XXAMGQGYNMYZTK-CYBMUJFWSA-N 1 1 292.423 3.338 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC2(C)C)C(C)(C)C1 ZINC001330222549 935277665 /nfs/dbraw/zinc/27/76/65/935277665.db2.gz OUPFQJCBTSVKAC-HUUCEWRRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1C[N@@H+](CCC2CC2)CC1(C)C ZINC001330231011 935278997 /nfs/dbraw/zinc/27/89/97/935278997.db2.gz VAKNDUKMMFBENK-YJBOKZPZSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC(C)C)C[C@H]2C1 ZINC001330447233 935289057 /nfs/dbraw/zinc/28/90/57/935289057.db2.gz SADSNXNEQASNOQ-KKUMJFAQSA-N 1 1 298.858 3.002 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)[C@@H]2CCCC[C@H]2C)CC1 ZINC001331038479 935344395 /nfs/dbraw/zinc/34/43/95/935344395.db2.gz HGFALLHQDJBBIS-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC([N@H+](C)CCCCC)CC2)C1 ZINC001331054434 935346487 /nfs/dbraw/zinc/34/64/87/935346487.db2.gz RLYAAOFSJXVSCL-UHFFFAOYSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C2(CC=C)CCC2)[C@@H]1C ZINC001332197991 935447986 /nfs/dbraw/zinc/44/79/86/935447986.db2.gz GXESTNKPNWBWFF-JKSUJKDBSA-N 1 1 290.451 3.278 20 30 CGEDMO CC[N@H+](Cc1csc(C#N)c1)Cc1ccccn1 ZINC001333646652 935555964 /nfs/dbraw/zinc/55/59/64/935555964.db2.gz SFWDJRLEJRIVJU-UHFFFAOYSA-N 1 1 257.362 3.037 20 30 CGEDMO CC[N@@H+](Cc1csc(C#N)c1)Cc1ccccn1 ZINC001333646652 935555967 /nfs/dbraw/zinc/55/59/67/935555967.db2.gz SFWDJRLEJRIVJU-UHFFFAOYSA-N 1 1 257.362 3.037 20 30 CGEDMO CC[C@@H]([NH2+]Cc1cccc(C#N)n1)c1cc(F)ccc1OC ZINC001333810555 936068485 /nfs/dbraw/zinc/06/84/85/936068485.db2.gz TYKZAVUBZJEIQR-MRXNPFEDSA-N 1 1 299.349 3.342 20 30 CGEDMO C#Cc1ccc(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC001334401315 936102271 /nfs/dbraw/zinc/10/22/71/936102271.db2.gz FAOYVKKXZUKCSS-INIZCTEOSA-N 1 1 298.430 3.052 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC001335807425 936162465 /nfs/dbraw/zinc/16/24/65/936162465.db2.gz VTLXHEVZAOECES-HNNXBMFYSA-N 1 1 287.407 3.149 20 30 CGEDMO CCc1ccc(NCc2ccc(CC#N)cc2)[nH+]c1 ZINC001336661733 936203163 /nfs/dbraw/zinc/20/31/63/936203163.db2.gz RMGDSAFQIBYEGO-UHFFFAOYSA-N 1 1 251.333 3.322 20 30 CGEDMO N#Cc1ccnc(C[N@H+]2CCC[C@@H](C3CCCC3)C2)c1 ZINC001473886608 937827889 /nfs/dbraw/zinc/82/78/89/937827889.db2.gz FKSZOOXEVYFIGG-MRXNPFEDSA-N 1 1 269.392 3.355 20 30 CGEDMO CCC[C@H](C[N@@H+](Cc1ccc(C#N)cc1)C1CC1)OC ZINC001474390058 937856491 /nfs/dbraw/zinc/85/64/91/937856491.db2.gz RSXNFNALDUTEMI-QGZVFWFLSA-N 1 1 272.392 3.338 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2c(Cl)n[nH]c2CC)C1 ZINC001474619588 937870947 /nfs/dbraw/zinc/87/09/47/937870947.db2.gz ZPDBWKFAPCZREE-LLVKDONJSA-N 1 1 267.804 3.414 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(Br)nc2)C1 ZINC001474647506 937872992 /nfs/dbraw/zinc/87/29/92/937872992.db2.gz QQIRKGSMSCIZLH-NSHDSACASA-N 1 1 281.197 3.242 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)cs1)C[C@@]1(C)CCCCO1 ZINC001474725545 937877030 /nfs/dbraw/zinc/87/70/30/937877030.db2.gz AQEYDGPTQDDAPL-CQSZACIVSA-N 1 1 264.394 3.011 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1ccc(/C=C\C(=O)OC)o1 ZINC001474739570 937878002 /nfs/dbraw/zinc/87/80/02/937878002.db2.gz ZWEPNLAQQFZSEF-KHPPLWFESA-N 1 1 277.364 3.254 20 30 CGEDMO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)CCC(C)(C)C ZINC001479261665 937918555 /nfs/dbraw/zinc/91/85/55/937918555.db2.gz YSHVFWAFEHHHGR-CABCVRRESA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)CCC(C)(C)C ZINC001479261665 937918557 /nfs/dbraw/zinc/91/85/57/937918557.db2.gz YSHVFWAFEHHHGR-CABCVRRESA-N 1 1 280.456 3.168 20 30 CGEDMO C=C/C(C)=C\CC(=O)N[C@H]1CC[N@@H+](CCC(=C)C)[C@@H]1C ZINC001479715786 937924399 /nfs/dbraw/zinc/92/43/99/937924399.db2.gz HSJPBMJFKDCBIG-QAIKFOBFSA-N 1 1 276.424 3.054 20 30 CGEDMO C=C(C)CCC(=O)N1CCCC[C@H]1C[N@H+](C)CCC ZINC001479734952 937924939 /nfs/dbraw/zinc/92/49/39/937924939.db2.gz LWQIAQBGZYDEMY-HNNXBMFYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CC[N@@H+](C)CCCNC(=O)C/C=C\c1ccc(C)cc1 ZINC001479822826 937926355 /nfs/dbraw/zinc/92/63/55/937926355.db2.gz MSINVMDXQWIWIU-ALCCZGGFSA-N 1 1 286.419 3.022 20 30 CGEDMO C=C(C)CC[N@@H+](CCCNC(=O)[C@@]1(C)C=CCC1)C1CC1 ZINC001479873313 937927741 /nfs/dbraw/zinc/92/77/41/937927741.db2.gz BOULSSIOVLAMJX-SFHVURJKSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@](C)(CC)CCC)C1 ZINC001479912543 937929097 /nfs/dbraw/zinc/92/90/97/937929097.db2.gz OMINBILEJZHLMV-RDJZCZTQSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CCC[N@H+](CC/C=C/CC)C1 ZINC001479909091 937929257 /nfs/dbraw/zinc/92/92/57/937929257.db2.gz XBXUWTZFNVZSPY-YERXGYGTSA-N 1 1 278.440 3.280 20 30 CGEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCCCCC)C2)cc1 ZINC001479959713 937929418 /nfs/dbraw/zinc/92/94/18/937929418.db2.gz GOLNIRQTYUAVQO-SFHVURJKSA-N 1 1 298.430 3.052 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)[C@@H]2C[C@@H]2C)CC1 ZINC001479990289 937930593 /nfs/dbraw/zinc/93/05/93/937930593.db2.gz VPJHQHMUAPOOGT-SWLSCSKDSA-N 1 1 298.858 3.098 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)C=C(C)C)C1 ZINC001480072272 937931906 /nfs/dbraw/zinc/93/19/06/937931906.db2.gz QBVFOPSZBJMOCW-DLBZAZTESA-N 1 1 292.467 3.478 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)C2(F)CCCCC2)C1 ZINC001480086545 937932156 /nfs/dbraw/zinc/93/21/56/937932156.db2.gz VXDUHIRIECTYRZ-HNNXBMFYSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@H](C[N@@H+](C)CCCF)C1 ZINC001480082309 937932215 /nfs/dbraw/zinc/93/22/15/937932215.db2.gz UJWREQCUOIKPCL-OAHLLOKOSA-N 1 1 298.446 3.119 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCCC(C)(C)C ZINC001480095000 937932317 /nfs/dbraw/zinc/93/23/17/937932317.db2.gz GDYHEMCSAXFONW-IYBDPMFKSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCCC(C)(C)C ZINC001480095000 937932318 /nfs/dbraw/zinc/93/23/18/937932318.db2.gz GDYHEMCSAXFONW-IYBDPMFKSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001480267220 937935397 /nfs/dbraw/zinc/93/53/97/937935397.db2.gz JCJMCMCXAWHVLR-CVEARBPZSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)C1CCCC1 ZINC001480332976 937936931 /nfs/dbraw/zinc/93/69/31/937936931.db2.gz PFTAEBYQTYAIER-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](CCCC)C1 ZINC001480382022 937937594 /nfs/dbraw/zinc/93/75/94/937937594.db2.gz HTQNHASZLVKGMQ-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCCC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001480382527 937937693 /nfs/dbraw/zinc/93/76/93/937937693.db2.gz JYEWDFMZUWLQBH-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H](C)[C@H]1CCC[N@H+](CCCC)C1 ZINC001480382020 937937881 /nfs/dbraw/zinc/93/78/81/937937881.db2.gz HTQNHASZLVKGMQ-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)C(C)(C)C)C1 ZINC001493214528 937948513 /nfs/dbraw/zinc/94/85/13/937948513.db2.gz YRNXTVYVQBPOON-CABCVRRESA-N 1 1 280.456 3.073 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](CNC(=O)CC2CCC(C)(C)CC2)C1 ZINC001493268851 937948876 /nfs/dbraw/zinc/94/88/76/937948876.db2.gz GWGRUSNCBMNJFS-INIZCTEOSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C1CCC(C(=O)NCC[N@H+](CCC)CC[C@@H](C)F)CC1 ZINC001493313071 937949540 /nfs/dbraw/zinc/94/95/40/937949540.db2.gz AZNMTLWGPWBSNG-OAHLLOKOSA-N 1 1 298.446 3.309 20 30 CGEDMO CC#CC[N@@H+](CCC)CCNC(=O)[C@H](C)[C@@H](C)C(C)(C)C ZINC001493321677 937949634 /nfs/dbraw/zinc/94/96/34/937949634.db2.gz IYVRITPLDBFONU-HZPDHXFCSA-N 1 1 294.483 3.156 20 30 CGEDMO C=C(C)CC[N@@H+](CCNC(=O)[C@H]1CCCC12CC2)C1CC1 ZINC001493381236 937950149 /nfs/dbraw/zinc/95/01/49/937950149.db2.gz BQKINCYKXYCUJY-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)CCCC(C)C)C1 ZINC001493968574 937952449 /nfs/dbraw/zinc/95/24/49/937952449.db2.gz SCKSAYRYSSVAKV-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](C)C2CCC2)C1 ZINC001494027280 937952963 /nfs/dbraw/zinc/95/29/63/937952963.db2.gz DHVSCRJOBKMMPW-JKSUJKDBSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](C)CCCCC)C1 ZINC001494290767 937953999 /nfs/dbraw/zinc/95/39/99/937953999.db2.gz ZREXPMORUQMZQF-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@H+](C)CC1CCN(C(=O)C=C(CC)CC)CC1 ZINC001494191742 937954136 /nfs/dbraw/zinc/95/41/36/937954136.db2.gz KENHBLXTLBBXAM-UHFFFAOYSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C[C@H](C)CCCCC)C1 ZINC001494326708 937954425 /nfs/dbraw/zinc/95/44/25/937954425.db2.gz ZREXPMORUQMZQF-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)c(C)c1 ZINC001494683295 937955493 /nfs/dbraw/zinc/95/54/93/937955493.db2.gz MMUIQHOCTVSJLF-ROUUACIJSA-N 1 1 298.430 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](CC)C(C)(C)C ZINC001494675837 937955603 /nfs/dbraw/zinc/95/56/03/937955603.db2.gz QEJIIZNBNDTYJT-JYJNAYRXSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)/C=C(/C)CC)C1 ZINC001494755087 937956032 /nfs/dbraw/zinc/95/60/32/937956032.db2.gz GJQHLXLZZVCIJB-UGEDRFTOSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[N@H+](CCC(C)C)C2)CCCC1 ZINC001494795407 937956298 /nfs/dbraw/zinc/95/62/98/937956298.db2.gz KKFWCJMHJXMLCL-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)CC2(C)CCCC2)C1 ZINC001494818202 937956450 /nfs/dbraw/zinc/95/64/50/937956450.db2.gz COHRHWNQDPKKOJ-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)C2(CC)CCCC2)C1 ZINC001494857168 937956855 /nfs/dbraw/zinc/95/68/55/937956855.db2.gz SESDBKFXCFTJSO-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](N(CC)C(=O)[C@H](C)C#N)C1 ZINC001494890864 937957085 /nfs/dbraw/zinc/95/70/85/937957085.db2.gz VAUFQNAPEICAIW-CVEARBPZSA-N 1 1 293.455 3.039 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)CCC2(C)CC2)C1 ZINC001494920120 937957360 /nfs/dbraw/zinc/95/73/60/937957360.db2.gz ZBOYKKVMJHQESJ-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)/C=C(\C)CC)CC[C@@H]21 ZINC001496859414 937964615 /nfs/dbraw/zinc/96/46/15/937964615.db2.gz QXCCSRCJGPMLTF-ODQHEUEKSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(Cl)c(F)c1 ZINC001498387775 937969514 /nfs/dbraw/zinc/96/95/14/937969514.db2.gz CVLHWIPLKWWJLT-LLVKDONJSA-N 1 1 298.789 3.105 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)C(C)(C)CC=C ZINC001499072275 937972509 /nfs/dbraw/zinc/97/25/09/937972509.db2.gz NIWJMLMUVFGVTD-GJZGRUSLSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)cc(C)c1 ZINC001499107714 937972518 /nfs/dbraw/zinc/97/25/18/937972518.db2.gz USCNVQTWEVNOTF-KRWDZBQOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CC[N@H+]2CC2CC2)CCCCC1 ZINC001499128358 937972742 /nfs/dbraw/zinc/97/27/42/937972742.db2.gz WQEMHAFNUVQIQN-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@H](C)CC ZINC001499550698 937973790 /nfs/dbraw/zinc/97/37/90/937973790.db2.gz CMSITAXQRXKFSL-ZACQAIPSSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001500201132 937976379 /nfs/dbraw/zinc/97/63/79/937976379.db2.gz SMPFBYIOEOVTQC-GOSISDBHSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@](C)(CNC(=O)c2ccoc2)C1 ZINC001500474761 937977551 /nfs/dbraw/zinc/97/75/51/937977551.db2.gz ABZNPFJIIROQIG-QGZVFWFLSA-N 1 1 290.407 3.078 20 30 CGEDMO C=CC[N@@H+]1CCC[C@](C)(CNC(=O)C2CCC=CCC2)C1 ZINC001500552819 937977979 /nfs/dbraw/zinc/97/79/79/937977979.db2.gz MLGHXQYSRCDHMT-GOSISDBHSA-N 1 1 290.451 3.137 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)CCCCCC)C1 ZINC001500550243 937978039 /nfs/dbraw/zinc/97/80/39/937978039.db2.gz LTMMHNIDZKYVQT-GOSISDBHSA-N 1 1 292.467 3.198 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)C[C@H](C)CC)C[C@H]2C1 ZINC001501217401 937979226 /nfs/dbraw/zinc/97/92/26/937979226.db2.gz YWYBVIJDROTKFV-TWMKSMIVSA-N 1 1 292.467 3.168 20 30 CGEDMO CC(C)C#CC(=O)N(C)CCC[N@@H+](C)CCCC1CCC1 ZINC001502192896 937981859 /nfs/dbraw/zinc/98/18/59/937981859.db2.gz IWVXWVHOILLAFP-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)C[C@@H]1CCC[C@@H]1C ZINC001502335808 937981957 /nfs/dbraw/zinc/98/19/57/937981957.db2.gz AVQKAASENQCQNS-HOTGVXAUSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCCF)C1 ZINC001502406937 937982466 /nfs/dbraw/zinc/98/24/66/937982466.db2.gz WMRSMAZRRZARBZ-HOTGVXAUSA-N 1 1 296.430 3.015 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)CCCC)C(C)(C)C1 ZINC001502818152 937983297 /nfs/dbraw/zinc/98/32/97/937983297.db2.gz REVPXFPFYJBDKZ-HOTGVXAUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(CC)CCC2)C[C@@H]1C ZINC001502972558 937983961 /nfs/dbraw/zinc/98/39/61/937983961.db2.gz YVPZUHYSRAODJZ-UONOGXRCSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(CC)CCC2)C[C@@H]1C ZINC001502972558 937983962 /nfs/dbraw/zinc/98/39/62/937983962.db2.gz YVPZUHYSRAODJZ-UONOGXRCSA-N 1 1 298.858 3.288 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)CCCCC(C)C)C[C@@H]1C ZINC001503003934 937984011 /nfs/dbraw/zinc/98/40/11/937984011.db2.gz URVKWZUQYXDARX-IRXDYDNUSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)c1ccoc1 ZINC001505418748 937985207 /nfs/dbraw/zinc/98/52/07/937985207.db2.gz AXPVKFASOZNDTO-HOCLYGCPSA-N 1 1 290.407 3.171 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)CCCC#CC ZINC001505442622 937985501 /nfs/dbraw/zinc/98/55/01/937985501.db2.gz ZTAFXUCBZANEGD-KRWDZBQOSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCC)C2)C1 ZINC001505468657 937985863 /nfs/dbraw/zinc/98/58/63/937985863.db2.gz CMMVNHKTKRQRKU-IRXDYDNUSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001505925777 937987988 /nfs/dbraw/zinc/98/79/88/937987988.db2.gz ZZECAVPBPTUSOP-HOTGVXAUSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCCC(=O)NC[C@H](C)[N@@H+](C)CC1CCCCC1 ZINC001505990413 937988227 /nfs/dbraw/zinc/98/82/27/937988227.db2.gz DWMNNUMCPIBPFY-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CCCCCF)CC1 ZINC001505995369 937988546 /nfs/dbraw/zinc/98/85/46/937988546.db2.gz YBEXVVIXMNCQJC-OAHLLOKOSA-N 1 1 298.446 3.309 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)c1ccc(C(C)C)cc1 ZINC001506044691 937989041 /nfs/dbraw/zinc/98/90/41/937989041.db2.gz GEZPSADVGKEKGN-HNNXBMFYSA-N 1 1 288.435 3.436 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)c1coc2ccccc12 ZINC001506069638 937989335 /nfs/dbraw/zinc/98/93/35/937989335.db2.gz SFYGPHPZRRGWGW-CYBMUJFWSA-N 1 1 286.375 3.059 20 30 CGEDMO C=CCC[N@@H+]1CCCC2(CN(C(=O)CC(C)=C(C)C)C2)C1 ZINC001506864750 937992253 /nfs/dbraw/zinc/99/22/53/937992253.db2.gz FWXGBNVOUNDOCO-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@]2(NC(=O)C3CCC3)CCC[C@H]12 ZINC001507336172 937995314 /nfs/dbraw/zinc/99/53/14/937995314.db2.gz RMNGQRKXVJHLCD-ZVZYQTTQSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CCC(=C)C)[C@H]1C ZINC001507381915 937995666 /nfs/dbraw/zinc/99/56/66/937995666.db2.gz KQGWMNRSSRMICB-LSDHHAIUSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)CC(C)C)CC1 ZINC001508187489 937998456 /nfs/dbraw/zinc/99/84/56/937998456.db2.gz IPJVQOWOGWKPNA-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CNC(=O)C[C@@H]2C=CCC2)CC1 ZINC001508187372 937998464 /nfs/dbraw/zinc/99/84/64/937998464.db2.gz PAJTWGUEUMFODY-MRXNPFEDSA-N 1 1 288.435 3.057 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)[C@]2(C)CCC[C@H]2C)CC1 ZINC001508222646 937998641 /nfs/dbraw/zinc/99/86/41/937998641.db2.gz ZVGZNXXCBCKUDG-CRAIPNDOSA-N 1 1 290.451 3.137 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3C[C@@H]3C#N)cc2)C1 ZINC001525112017 938047608 /nfs/dbraw/zinc/04/76/08/938047608.db2.gz RCVNUTVESBXGKN-YSVLISHTSA-N 1 1 297.402 3.017 20 30 CGEDMO C=C[C@@H](C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC001548644017 938151728 /nfs/dbraw/zinc/15/17/28/938151728.db2.gz XIQMREHKMIJTAS-FUHWJXTLSA-N 1 1 298.430 3.089 20 30 CGEDMO C=C[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC001548644018 938151837 /nfs/dbraw/zinc/15/18/37/938151837.db2.gz XIQMREHKMIJTAS-SJLPKXTDSA-N 1 1 298.430 3.089 20 30 CGEDMO CCc1cc(NCc2ccc(C)c(C#N)c2)nc(C)[nH+]1 ZINC001559275940 938224189 /nfs/dbraw/zinc/22/41/89/938224189.db2.gz AHMGVRAWJSSZHU-UHFFFAOYSA-N 1 1 266.348 3.140 20 30 CGEDMO C=CC[N@@H+](C/C=C(\C)COC)Cc1ccccc1F ZINC001559495347 938227611 /nfs/dbraw/zinc/22/76/11/938227611.db2.gz CLUMRVJPCMOKKH-NTEUORMPSA-N 1 1 263.356 3.406 20 30 CGEDMO C=CC[N@H+](C/C=C(\C)COC)Cc1ccccc1F ZINC001559495347 938227612 /nfs/dbraw/zinc/22/76/12/938227612.db2.gz CLUMRVJPCMOKKH-NTEUORMPSA-N 1 1 263.356 3.406 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CC[C@H](c2ccc(OC)cc2)C1 ZINC001559517351 938228133 /nfs/dbraw/zinc/22/81/33/938228133.db2.gz PCJYSUDISNDRSS-ZBFHGGJFSA-N 1 1 257.377 3.286 20 30 CGEDMO CC#CC[N@H+](CCC)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001559527607 938228598 /nfs/dbraw/zinc/22/85/98/938228598.db2.gz IMXIIVLIXFBWSJ-IBGZPJMESA-N 1 1 284.447 3.386 20 30 CGEDMO CC#CCN(CCC)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001559527607 938228599 /nfs/dbraw/zinc/22/85/99/938228599.db2.gz IMXIIVLIXFBWSJ-IBGZPJMESA-N 1 1 284.447 3.386 20 30 CGEDMO CC#CCN(CCC)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001559527607 938228600 /nfs/dbraw/zinc/22/86/00/938228600.db2.gz IMXIIVLIXFBWSJ-IBGZPJMESA-N 1 1 284.447 3.386 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccncc1C#N)c1ccc2c(c1)CCC2 ZINC001559703645 938233106 /nfs/dbraw/zinc/23/31/06/938233106.db2.gz ITMHGQJNWALZSM-CYBMUJFWSA-N 1 1 277.371 3.293 20 30 CGEDMO CCCCCCCCCC[N@@H+]1CCC[C@H](O)[C@H]1C(=O)OC ZINC001559752664 938234538 /nfs/dbraw/zinc/23/45/38/938234538.db2.gz DMDLCUDWZFJBDB-HOTGVXAUSA-N 1 1 299.455 3.125 20 30 CGEDMO CCCCCCCCCC[N@H+]1CCC[C@H](O)[C@H]1C(=O)OC ZINC001559752664 938234539 /nfs/dbraw/zinc/23/45/39/938234539.db2.gz DMDLCUDWZFJBDB-HOTGVXAUSA-N 1 1 299.455 3.125 20 30 CGEDMO C=CC[C@H](C)[N@@H+]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001559765348 938234839 /nfs/dbraw/zinc/23/48/39/938234839.db2.gz YRBOZENDCWBRNQ-SOUVJXGZSA-N 1 1 294.439 3.425 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)Cc1ccc(Cl)cc1C#N ZINC001559797028 938236242 /nfs/dbraw/zinc/23/62/42/938236242.db2.gz DOQNRXSDYFQICY-UHFFFAOYSA-N 1 1 291.826 3.151 20 30 CGEDMO C#CC[N@H+](CCCOc1c(C)cccc1C)C1CC1 ZINC001559844700 938236971 /nfs/dbraw/zinc/23/69/71/938236971.db2.gz UGJIKHXPDXLGKF-UHFFFAOYSA-N 1 1 257.377 3.170 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC001559862651 938237367 /nfs/dbraw/zinc/23/73/67/938237367.db2.gz XJLIDXZYILURHB-SFHVURJKSA-N 1 1 298.430 3.424 20 30 CGEDMO CC[N@H+]1CCCN(Cc2c(C)cc(C#N)cc2C)[C@H](C)C1 ZINC001559897682 938238231 /nfs/dbraw/zinc/23/82/31/938238231.db2.gz VKTHCXIRBCSEFQ-MRXNPFEDSA-N 1 1 285.435 3.091 20 30 CGEDMO CCN1CCC[N@H+](Cc2c(C)cc(C#N)cc2C)[C@H](C)C1 ZINC001559897682 938238232 /nfs/dbraw/zinc/23/82/32/938238232.db2.gz VKTHCXIRBCSEFQ-MRXNPFEDSA-N 1 1 285.435 3.091 20 30 CGEDMO CCN1CCC[N@@H+](Cc2c(C)cc(C#N)cc2C)[C@H](C)C1 ZINC001559897682 938238233 /nfs/dbraw/zinc/23/82/33/938238233.db2.gz VKTHCXIRBCSEFQ-MRXNPFEDSA-N 1 1 285.435 3.091 20 30 CGEDMO C#C[C@@H]1COCC[N@H+]1CC1CCC(C(C)(C)C)CC1 ZINC001559899990 938238371 /nfs/dbraw/zinc/23/83/71/938238371.db2.gz URBLPDHESQCNNY-UYSNPLJNSA-N 1 1 263.425 3.173 20 30 CGEDMO C#C[C@@H]1COCC[N@@H+]1CC1CCC(C(C)(C)C)CC1 ZINC001559899990 938238372 /nfs/dbraw/zinc/23/83/72/938238372.db2.gz URBLPDHESQCNNY-UYSNPLJNSA-N 1 1 263.425 3.173 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@@H]([C@@H]2CCCC2(C)C)C1 ZINC001559935690 938239472 /nfs/dbraw/zinc/23/94/72/938239472.db2.gz QTXAJXMYZHMVLB-PMPSAXMXSA-N 1 1 265.441 3.462 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@H]2CCCN(c3ccccc3)C2=O)C1 ZINC001559983195 938240958 /nfs/dbraw/zinc/24/09/58/938240958.db2.gz KDJUZOYUYRRTKF-AEFFLSMTSA-N 1 1 298.430 3.470 20 30 CGEDMO N#Cc1cccc([C@@H](O)C[N@H+]2CCC[C@@H](C3CCC3)C2)c1 ZINC001560012250 938241691 /nfs/dbraw/zinc/24/16/91/938241691.db2.gz UNTYPXBMSFPDNE-MSOLQXFVSA-N 1 1 284.403 3.104 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](CC)C(=O)N(C)c1ccc(C)cc1 ZINC001560015070 938241762 /nfs/dbraw/zinc/24/17/62/938241762.db2.gz RSCKOFMEFIISEI-MRXNPFEDSA-N 1 1 274.408 3.244 20 30 CGEDMO C=CCOc1cccc(CNCC[NH+]2CCCCCC2)c1 ZINC001560263465 938249954 /nfs/dbraw/zinc/24/99/54/938249954.db2.gz FTWINUPGUKRYRE-UHFFFAOYSA-N 1 1 288.435 3.217 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccc(C(F)(F)F)c(C)c1 ZINC001560699229 938270781 /nfs/dbraw/zinc/27/07/81/938270781.db2.gz MYLSERGMZHBEPF-UHFFFAOYSA-N 1 1 255.283 3.469 20 30 CGEDMO C=C(C)C[C@H]([NH2+][C@H](CC)CCCC)C(=O)OCC ZINC001560987065 938287966 /nfs/dbraw/zinc/28/79/66/938287966.db2.gz PRZGCNWSFREOBP-KGLIPLIRSA-N 1 1 255.402 3.443 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1cc(F)ccc1O ZINC001561026163 938290374 /nfs/dbraw/zinc/29/03/74/938290374.db2.gz VLELDCAVHJJKTP-UHFFFAOYSA-N 1 1 276.336 3.096 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC001563143517 938300670 /nfs/dbraw/zinc/30/06/70/938300670.db2.gz NAHQGIWPYQVYFG-UHFFFAOYSA-N 1 1 290.411 3.262 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@H]2CC[N@H+]2CCCC2CCC2)C1 ZINC001483679765 957820906 /nfs/dbraw/zinc/82/09/06/957820906.db2.gz NYEMEKJQESOUQL-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(CC)CC)C[C@@H]2C1 ZINC001485658796 957827947 /nfs/dbraw/zinc/82/79/47/957827947.db2.gz YHBJUBYTWFRUBN-XHSDSOJGSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC1(C(=O)N(C)C[C@H]2CC[N@@H+]2CCC)CCCC1 ZINC001565834936 960834721 /nfs/dbraw/zinc/83/47/21/960834721.db2.gz DVAGKJWODMPEHS-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)/C(C)=C\C ZINC001566120031 960888285 /nfs/dbraw/zinc/88/82/85/960888285.db2.gz VCJAARVUASAMAF-VDFGQWLZSA-N 1 1 284.831 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@@H]1CCCCN1C(=O)/C(C)=C\C ZINC001566120031 960888304 /nfs/dbraw/zinc/88/83/04/960888304.db2.gz VCJAARVUASAMAF-VDFGQWLZSA-N 1 1 284.831 3.018 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C(C)C)CC(C)(C)C1 ZINC001566131142 960893025 /nfs/dbraw/zinc/89/30/25/960893025.db2.gz HXEVXMGKLGTKRD-HOTGVXAUSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)C1CC2(CCC2)C1 ZINC001566483457 960936723 /nfs/dbraw/zinc/93/67/23/960936723.db2.gz CANKXKJMGQLCTD-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCNC(=O)[C@H]1CCC[C@H]1CC ZINC001566488460 960943446 /nfs/dbraw/zinc/94/34/46/960943446.db2.gz RRGIAZFYTVGWTM-KGLIPLIRSA-N 1 1 286.847 3.003 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCNC(=O)[C@H]1CCC[C@H]1CC ZINC001566488460 960943458 /nfs/dbraw/zinc/94/34/58/960943458.db2.gz RRGIAZFYTVGWTM-KGLIPLIRSA-N 1 1 286.847 3.003 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)c1c(C)cccc1C ZINC001566566067 960946525 /nfs/dbraw/zinc/94/65/25/960946525.db2.gz OOWXZIDSYSPKPR-UHFFFAOYSA-N 1 1 288.435 3.321 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)C=C2CCC2)C1 ZINC001566619284 960971949 /nfs/dbraw/zinc/97/19/49/960971949.db2.gz FIPLRGDXCCXHKM-GDBMZVCRSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccc(C=C)cc2)C1 ZINC001566674314 960987197 /nfs/dbraw/zinc/98/71/97/960987197.db2.gz LWLUNDPDMBBWRL-MAUKXSAKSA-N 1 1 298.430 3.488 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)CC(C)C ZINC001566758000 961005050 /nfs/dbraw/zinc/00/50/50/961005050.db2.gz XARHCLDFVZKMIW-ZACQAIPSSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)CC(C)C ZINC001566758000 961005069 /nfs/dbraw/zinc/00/50/69/961005069.db2.gz XARHCLDFVZKMIW-ZACQAIPSSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC(=C)C ZINC001566752773 961009753 /nfs/dbraw/zinc/00/97/53/961009753.db2.gz NKOWYKXWWIHNKZ-YESZJQIVSA-N 1 1 290.451 3.373 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@@H](C[N@@H+](C)CC(=C)C)C1 ZINC001566743333 961011713 /nfs/dbraw/zinc/01/17/13/961011713.db2.gz LXADTDYQXJWCSV-FUHWJXTLSA-N 1 1 292.467 3.335 20 30 CGEDMO C=CCCC[C@@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001566837329 961027611 /nfs/dbraw/zinc/02/76/11/961027611.db2.gz KCIUGLYEBGCIQQ-MRXNPFEDSA-N 1 1 288.435 3.022 20 30 CGEDMO C#CCCCCC(=O)NC[C@@H]1CCC[N@H+](C[C@H](C)CC)C1 ZINC001566868384 961036482 /nfs/dbraw/zinc/03/64/82/961036482.db2.gz JJDKHMHCJCPQIP-SJORKVTESA-N 1 1 292.467 3.054 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@@H]([N@H+](C)CC[C@@H](C)F)C1 ZINC001567192457 961130050 /nfs/dbraw/zinc/13/00/50/961130050.db2.gz ADGICKPLGWFYIU-HUUCEWRRSA-N 1 1 298.446 3.260 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]([N@H+](C)CC/C=C\CC)C1 ZINC001567189045 961132919 /nfs/dbraw/zinc/13/29/19/961132919.db2.gz YVOJUBCBUFPNIO-IOBAAEILSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)CC/C=C/CC)C1 ZINC001567196550 961137754 /nfs/dbraw/zinc/13/77/54/961137754.db2.gz MXOQEHGIIZGKNK-ROJDOSBLSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC(C)(C)C(=O)NCCC[C@H]1CCC[N@H+]1CC1CC1 ZINC001567259791 961158672 /nfs/dbraw/zinc/15/86/72/961158672.db2.gz IWGIXDOCMVRMPJ-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1cc(C)co1 ZINC001567261465 961159752 /nfs/dbraw/zinc/15/97/52/961159752.db2.gz KAMNLLKQFKAGQR-HNNXBMFYSA-N 1 1 290.407 3.139 20 30 CGEDMO C=C(C)CCC(=O)NCC[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001567284708 961255525 /nfs/dbraw/zinc/25/55/25/961255525.db2.gz SIMCPAQAKZVARO-QGZVFWFLSA-N 1 1 286.419 3.078 20 30 CGEDMO C=CCCC[N@H+](CC)CCNC(=O)C1(C)C(C)(C)C1(C)C ZINC001567356726 961290456 /nfs/dbraw/zinc/29/04/56/961290456.db2.gz FICOECOGHMUYSX-UHFFFAOYSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC1(C(=O)NCC[N@H+](CC)CC2CCCC2)CCC1 ZINC001567343674 961295080 /nfs/dbraw/zinc/29/50/80/961295080.db2.gz CMSABAROPOBTIT-UHFFFAOYSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1CCC[N@@H+]1CC=C(C)C ZINC001567376614 961312097 /nfs/dbraw/zinc/31/20/97/961312097.db2.gz KXFPZBOJBMPXRG-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCC[N@@H+]1C[C@H](C)CC(C)C ZINC001567365639 961314336 /nfs/dbraw/zinc/31/43/36/961314336.db2.gz AXFFHLGGEWNDIN-HZPDHXFCSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](CNC(=O)C2(C)CCC2)C1 ZINC001567408292 961321645 /nfs/dbraw/zinc/32/16/45/961321645.db2.gz XENKXWMSHCDGIV-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(CC)CC ZINC001567391548 961322521 /nfs/dbraw/zinc/32/25/21/961322521.db2.gz RDOOFBKSUNBKQF-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)C(C)=C2CCC2)C1 ZINC001567399860 961330196 /nfs/dbraw/zinc/33/01/96/961330196.db2.gz DFNGIYMLBVEWBM-ZBFHGGJFSA-N 1 1 290.451 3.280 20 30 CGEDMO C#CCC[N@@H+](CCC)CCNC(=O)C[C@H]1CCCC[C@H]1C ZINC001567435488 961337912 /nfs/dbraw/zinc/33/79/12/961337912.db2.gz QFWNZTUBRWUZNK-IAGOWNOFSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCCC[N@@H+](CCNC(=O)[C@H]1CCCC12CC2)C1CC1 ZINC001567444817 961355609 /nfs/dbraw/zinc/35/56/09/961355609.db2.gz ODHXASDROQCKJA-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C1CCC(C(=O)NCC[N@@H+](C/C=C/Cl)C2CC2)CC1 ZINC001567448418 961357904 /nfs/dbraw/zinc/35/79/04/961357904.db2.gz ALXHRTFXOLDXJM-XNWCZRBMSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C1CCC(C(=O)NCC[N@H+](C/C=C/Cl)C2CC2)CC1 ZINC001567448418 961357918 /nfs/dbraw/zinc/35/79/18/961357918.db2.gz ALXHRTFXOLDXJM-XNWCZRBMSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)C2CCCCC2)C1 ZINC001567678647 961392714 /nfs/dbraw/zinc/39/27/14/961392714.db2.gz RXUFUTJDTDIMRB-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)/C=C\C(C)(C)C)C1 ZINC001567695433 961409288 /nfs/dbraw/zinc/40/92/88/961409288.db2.gz BJXHRVNZPOWLOO-PODYEWJSSA-N 1 1 298.858 3.169 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)c2cc(C)cs2)C1 ZINC001567698621 961409969 /nfs/dbraw/zinc/40/99/69/961409969.db2.gz WBCYRERFOVTQSC-CQSZACIVSA-N 1 1 292.448 3.074 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)c2ccc(C)cc2)C1 ZINC001567882413 961457396 /nfs/dbraw/zinc/45/73/96/961457396.db2.gz CHFXFSJBVSOQMG-RDJZCZTQSA-N 1 1 286.419 3.154 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H](C)C2CCC2)C1 ZINC001567939799 961462452 /nfs/dbraw/zinc/46/24/52/961462452.db2.gz XCLYYOCLTNHJIA-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCCC)C1 ZINC001568514407 961605247 /nfs/dbraw/zinc/60/52/47/961605247.db2.gz XHXNUVFCIIDYTE-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)C1(C)CCC(C)CC1 ZINC001568506425 961609109 /nfs/dbraw/zinc/60/91/09/961609109.db2.gz JCKKBEWYZOYBLO-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)C1(C)CC=CC1 ZINC001569136399 961698468 /nfs/dbraw/zinc/69/84/68/961698468.db2.gz QYGJCBPOJFYNEM-LSDHHAIUSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(C)c(F)c1 ZINC001569126798 961698931 /nfs/dbraw/zinc/69/89/31/961698931.db2.gz NNAXZDWYSGIPPY-CQSZACIVSA-N 1 1 292.398 3.150 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)CCC1CCC1 ZINC001569351977 961736578 /nfs/dbraw/zinc/73/65/78/961736578.db2.gz BUWZDTXFJXMZDN-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)C(C)=C1CCC1 ZINC001569358549 961743055 /nfs/dbraw/zinc/74/30/55/961743055.db2.gz ZBEACDGQZQOXIK-BBRMVZONSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CCC(C)C)CC2)C1 ZINC001569433941 961765357 /nfs/dbraw/zinc/76/53/57/961765357.db2.gz CAVNMJYKBWNPMF-QGZVFWFLSA-N 1 1 292.467 3.169 20 30 CGEDMO C#CC[N@H+](CCNC(=O)/C(C)=C/CC)C1CCCCCC1 ZINC001569448204 961768334 /nfs/dbraw/zinc/76/83/34/961768334.db2.gz KZWXDWPPVIYQLB-MHWRWJLKSA-N 1 1 290.451 3.117 20 30 CGEDMO C=CCC(C)(C)C(=O)N(C)C1C[NH+](CCCCCC)C1 ZINC001569500215 961773769 /nfs/dbraw/zinc/77/37/69/961773769.db2.gz FGPHSEWUBQLYOG-UHFFFAOYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCCF)C2 ZINC001569622486 961804089 /nfs/dbraw/zinc/80/40/89/961804089.db2.gz QSJHWKTXIYGDQQ-QGZVFWFLSA-N 1 1 296.430 3.017 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001569723215 961844419 /nfs/dbraw/zinc/84/44/19/961844419.db2.gz SMMSZSIOHNJOJX-NUJGCVRESA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)C(C)(C)C)C[C@H]2C1 ZINC001569877598 961860923 /nfs/dbraw/zinc/86/09/23/961860923.db2.gz SHQDGYQMAXIVFQ-OAGGEKHMSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](F)CC ZINC001569858080 961862725 /nfs/dbraw/zinc/86/27/25/961862725.db2.gz DKZFLMPETURVMF-JONQDZQNSA-N 1 1 296.430 3.060 20 30 CGEDMO C=CCC[N@H+]1C[C@H]2CN(C(=O)CCCCC(C)C)C[C@H]2C1 ZINC001569881650 961864491 /nfs/dbraw/zinc/86/44/91/961864491.db2.gz LEQJOFRUPYTBIZ-CALCHBBNSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCF ZINC001569909241 961867270 /nfs/dbraw/zinc/86/72/70/961867270.db2.gz BLLAQGNFMMZJPV-CABCVRRESA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](CCC)C(C)C)CC1 ZINC001570183337 961924161 /nfs/dbraw/zinc/92/41/61/961924161.db2.gz IOLNLMZXFNRJGU-HZPDHXFCSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C2(C)CCC2)CC1 ZINC001570181684 961926525 /nfs/dbraw/zinc/92/65/25/961926525.db2.gz OLNVDIRRVVQVMZ-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC)C2 ZINC001570271658 961939156 /nfs/dbraw/zinc/93/91/56/961939156.db2.gz LYZHLFZGSNKWGS-FUHWJXTLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@H+](CCC)CC1(C)C ZINC001570394279 961956985 /nfs/dbraw/zinc/95/69/85/961956985.db2.gz YYSXPSQBUVZZHP-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@H+](C(C)C)CC1(C)C ZINC001570395446 961963588 /nfs/dbraw/zinc/96/35/88/961963588.db2.gz JJNLTGVLPITDAN-AWEZNQCLSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)CCCF ZINC001570539012 961986195 /nfs/dbraw/zinc/98/61/95/961986195.db2.gz WEWYBEUDYXAFCA-HUUCEWRRSA-N 1 1 284.419 3.014 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)c1cscc1C ZINC001570704534 962040856 /nfs/dbraw/zinc/04/08/56/962040856.db2.gz NRMLVBHHTQRPSX-CYBMUJFWSA-N 1 1 280.437 3.073 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)c1cc2ccc(C)cc2[nH]1 ZINC001570726239 962058217 /nfs/dbraw/zinc/05/82/17/962058217.db2.gz NFYBWZWKLAVGKU-AWEZNQCLSA-N 1 1 299.418 3.103 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)CNC(=O)c1ccccc1C(C)C ZINC001570714830 962061947 /nfs/dbraw/zinc/06/19/47/962061947.db2.gz XNQPZBUQEHTPLA-CQSZACIVSA-N 1 1 274.408 3.046 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)c1ccccc1 ZINC001570747145 962069143 /nfs/dbraw/zinc/06/91/43/962069143.db2.gz CKUVMPXJMOXCNE-CVEARBPZSA-N 1 1 288.435 3.193 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)c1cccc(Cl)c1 ZINC001570748993 962071904 /nfs/dbraw/zinc/07/19/04/962071904.db2.gz LETANLAMRPQBEJ-CYBMUJFWSA-N 1 1 294.826 3.356 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](CC)SC ZINC001570820341 962093800 /nfs/dbraw/zinc/09/38/00/962093800.db2.gz NLOAFPJCVTXYSI-GJZGRUSLSA-N 1 1 298.496 3.065 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCCC)C[C@@H]2C1 ZINC001571007200 962106079 /nfs/dbraw/zinc/10/60/79/962106079.db2.gz BXGQQALSQRCESQ-BBWFWOEESA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1C[N@H+](CCC(C)C)CC1(C)C ZINC001570902831 962110783 /nfs/dbraw/zinc/11/07/83/962110783.db2.gz ZLQUTBNXYQYRDK-AWEZNQCLSA-N 1 1 280.456 3.071 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CC(CC)CC)C(C)(C)C1 ZINC001570908361 962111737 /nfs/dbraw/zinc/11/17/37/962111737.db2.gz ZOXGKYOOAJGVTK-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC(C)(C)CC(=O)N1C[C@]2(C)C[N@H+](CCC)C[C@]2(C)C1 ZINC001571058506 962120839 /nfs/dbraw/zinc/12/08/39/962120839.db2.gz ADPCNQFVPTUFEW-HDICACEKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)C[C@@H](C=C)CC)CC1 ZINC001571333384 962135246 /nfs/dbraw/zinc/13/52/46/962135246.db2.gz OSZBPBPLPXWOEL-INIZCTEOSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCCC[N@H+]1CC[C@]2(NC(=O)[C@@H](C)CC)CCC[C@@H]12 ZINC001571495245 962172350 /nfs/dbraw/zinc/17/23/50/962172350.db2.gz NVHVDUGXCFRHSG-ZMSDIMECSA-N 1 1 278.440 3.112 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)CC(C)C)[C@H]1C ZINC001571525672 962180435 /nfs/dbraw/zinc/18/04/35/962180435.db2.gz VQIYWUMNRFBYKK-CVEARBPZSA-N 1 1 292.467 3.051 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C(=O)/C=C(/C)C1CC1)C(C)C ZINC001571610692 962187016 /nfs/dbraw/zinc/18/70/16/962187016.db2.gz YHBBGNKTZXWEFW-SSZFMOIBSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C(=O)/C=C(\C)C1CC1)C(C)C ZINC001571610691 962190992 /nfs/dbraw/zinc/19/09/92/962190992.db2.gz YHBBGNKTZXWEFW-DTQAZKPQSA-N 1 1 292.467 3.478 20 30 CGEDMO C#CC[C@]1(C(=O)O[C@H](C)c2cc(C)ccc2C)CCC[NH2+]1 ZINC001574525274 962311982 /nfs/dbraw/zinc/31/19/82/962311982.db2.gz HGZOIZFERCWYHG-CRAIPNDOSA-N 1 1 285.387 3.053 20 30 CGEDMO N#Cc1ccc(C[NH+]2CC(C3CC3)C2)c(C(F)(F)F)c1 ZINC000589736760 346809852 /nfs/dbraw/zinc/80/98/52/346809852.db2.gz IPEFESVTAILMGI-UHFFFAOYSA-N 1 1 280.293 3.419 20 30 CGEDMO CC1(C)CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000124650339 187146938 /nfs/dbraw/zinc/14/69/38/187146938.db2.gz FHHVITGEBUEAMG-UHFFFAOYSA-N 1 1 299.418 3.399 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccncc2)cc1 ZINC000125448023 187185108 /nfs/dbraw/zinc/18/51/08/187185108.db2.gz OHBXDEATFSUZAO-QGZVFWFLSA-N 1 1 263.344 3.290 20 30 CGEDMO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)c2noc(COC(C)C)n2)C1 ZINC000651814797 398291938 /nfs/dbraw/zinc/29/19/38/398291938.db2.gz LFWDTSJHVQHQBO-MJBXVCDLSA-N 1 1 293.411 3.390 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000652062726 398322264 /nfs/dbraw/zinc/32/22/64/398322264.db2.gz UPTKJPBPYDBRPR-HNNXBMFYSA-N 1 1 279.330 3.483 20 30 CGEDMO C=CC[C@H]1CCCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000622144526 349637343 /nfs/dbraw/zinc/63/73/43/349637343.db2.gz LICMEVOECQXXBY-HOTGVXAUSA-N 1 1 278.440 3.066 20 30 CGEDMO C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)c2nccn21 ZINC000590778623 346875031 /nfs/dbraw/zinc/87/50/31/346875031.db2.gz KVCPWDKFLHYFOC-HZMBPMFUSA-N 1 1 286.766 3.204 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000591061634 346897089 /nfs/dbraw/zinc/89/70/89/346897089.db2.gz ALJQOISTQUYTCR-CQSZACIVSA-N 1 1 258.340 3.319 20 30 CGEDMO CCc1cc(N(C)[C@@H](C)c2cccc(C#N)c2)nc(C)[nH+]1 ZINC000425277289 529528968 /nfs/dbraw/zinc/52/89/68/529528968.db2.gz DSSCUXIEFDVXOQ-LBPRGKRZSA-N 1 1 280.375 3.417 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@H](O)CC23CCC3)cc1 ZINC000591480122 346926890 /nfs/dbraw/zinc/92/68/90/346926890.db2.gz OYVLZNYWMDARHF-KRWDZBQOSA-N 1 1 298.430 3.367 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H](C[NH3+])C1CCCCC1 ZINC000591576962 346929079 /nfs/dbraw/zinc/92/90/79/346929079.db2.gz MNYAQTAVLGIYDZ-MOPGFXCFSA-N 1 1 297.446 3.433 20 30 CGEDMO Cc1[nH]c2nc[nH+]c(NCC3CCC(C#N)CC3)c2c1C ZINC000591939580 346948948 /nfs/dbraw/zinc/94/89/48/346948948.db2.gz JQYDTBWEJVUBCC-UHFFFAOYSA-N 1 1 283.379 3.317 20 30 CGEDMO C[C@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000295066332 199327442 /nfs/dbraw/zinc/32/74/42/199327442.db2.gz QQJNAEXPCQGLKT-JQWIXIFHSA-N 1 1 285.313 3.060 20 30 CGEDMO N#Cc1ccc(CN2CCC[N@@H+](CC3=CCCC3)CC2)cc1 ZINC000592055226 346958254 /nfs/dbraw/zinc/95/82/54/346958254.db2.gz KULVZZLPIHWMPD-UHFFFAOYSA-N 1 1 295.430 3.176 20 30 CGEDMO N#CCC[N@@H+](CCc1c(F)cccc1F)CC1CC1 ZINC000592071861 346960240 /nfs/dbraw/zinc/96/02/40/346960240.db2.gz SPUGALLEXQGYQC-UHFFFAOYSA-N 1 1 264.319 3.133 20 30 CGEDMO N#CCC[N@H+](CCc1c(F)cccc1F)CC1CC1 ZINC000592071861 346960244 /nfs/dbraw/zinc/96/02/44/346960244.db2.gz SPUGALLEXQGYQC-UHFFFAOYSA-N 1 1 264.319 3.133 20 30 CGEDMO C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150906 346967044 /nfs/dbraw/zinc/96/70/44/346967044.db2.gz JIUDGVDPEVSEOT-KDOFPFPSSA-N 1 1 280.371 3.251 20 30 CGEDMO C[C@@H](c1cccc2ccccc21)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592151427 346967590 /nfs/dbraw/zinc/96/75/90/346967590.db2.gz OUPXTSQYBPPZNX-KBXCAEBGSA-N 1 1 280.371 3.251 20 30 CGEDMO N#CCCCC[N@@H+](Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC000592139314 346965871 /nfs/dbraw/zinc/96/58/71/346965871.db2.gz VBGIGBLHJDVITG-SFHVURJKSA-N 1 1 286.419 3.343 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CC2(CCCC2)O1 ZINC000592191195 346970483 /nfs/dbraw/zinc/97/04/83/346970483.db2.gz BEZMWGVBGYDWME-CYBMUJFWSA-N 1 1 288.366 3.231 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CC2(CCCC2)O1 ZINC000592191195 346970486 /nfs/dbraw/zinc/97/04/86/346970486.db2.gz BEZMWGVBGYDWME-CYBMUJFWSA-N 1 1 288.366 3.231 20 30 CGEDMO CCn1cc(C[N@@H+](CCCC(C)(C)C#N)C(C)C)cn1 ZINC000593080415 347036518 /nfs/dbraw/zinc/03/65/18/347036518.db2.gz NMPYGVJFFDWHFY-UHFFFAOYSA-N 1 1 276.428 3.443 20 30 CGEDMO C[C@@H]1C[N@H+]([C@H]2CC[C@@H](C#N)C2)CCc2ccccc21 ZINC000593090284 347038206 /nfs/dbraw/zinc/03/82/06/347038206.db2.gz HRXOMBKVUHZWJV-FMKPAKJESA-N 1 1 254.377 3.340 20 30 CGEDMO C[C@@H]1C[N@@H+](C[C@@H](C#N)CCC#N)CCc2ccccc21 ZINC000593095952 347039039 /nfs/dbraw/zinc/03/90/39/347039039.db2.gz ORBQPPBFKOZJKM-HUUCEWRRSA-N 1 1 267.376 3.092 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](Cc1cccs1)C1CC1 ZINC000036103455 344943463 /nfs/dbraw/zinc/94/34/63/344943463.db2.gz RCFJSSJSJINXHC-CYBMUJFWSA-N 1 1 251.395 3.040 20 30 CGEDMO C=CC[N@@H+](CC(=O)N1CCCC[C@H]1C)Cc1ccccc1 ZINC000045840795 345030604 /nfs/dbraw/zinc/03/06/04/345030604.db2.gz QDYINFRYLSLAMN-MRXNPFEDSA-N 1 1 286.419 3.076 20 30 CGEDMO C=CC[N@H+](CC(=O)N1CCCC[C@H]1C)Cc1ccccc1 ZINC000045840795 345030609 /nfs/dbraw/zinc/03/06/09/345030609.db2.gz QDYINFRYLSLAMN-MRXNPFEDSA-N 1 1 286.419 3.076 20 30 CGEDMO N#CCCC[N@@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000052076384 345097765 /nfs/dbraw/zinc/09/77/65/345097765.db2.gz TUSALFYILUIMBE-UHFFFAOYSA-N 1 1 250.292 3.233 20 30 CGEDMO N#CCCC[N@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000052076384 345097766 /nfs/dbraw/zinc/09/77/66/345097766.db2.gz TUSALFYILUIMBE-UHFFFAOYSA-N 1 1 250.292 3.233 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](CNc2ccc(Cl)cc2C#N)C1 ZINC000052857587 345108128 /nfs/dbraw/zinc/10/81/28/345108128.db2.gz YXAKEPDJCQOGDZ-LBPRGKRZSA-N 1 1 277.799 3.354 20 30 CGEDMO COCC[N@H+](Cc1ccccc1)Cc1cc(C#N)ccc1F ZINC000053906456 345126306 /nfs/dbraw/zinc/12/63/06/345126306.db2.gz CVQZOAIXOAFZKA-UHFFFAOYSA-N 1 1 298.361 3.346 20 30 CGEDMO COCC[N@@H+](Cc1ccccc1)Cc1cc(C#N)ccc1F ZINC000053906456 345126309 /nfs/dbraw/zinc/12/63/09/345126309.db2.gz CVQZOAIXOAFZKA-UHFFFAOYSA-N 1 1 298.361 3.346 20 30 CGEDMO CC1CCC([N@@H+](C)CCC(=O)Nc2ccccc2C#N)CC1 ZINC000054427159 345135252 /nfs/dbraw/zinc/13/52/52/345135252.db2.gz ZUWPJFKQUYKMAK-UHFFFAOYSA-N 1 1 299.418 3.397 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000054993323 345142237 /nfs/dbraw/zinc/14/22/37/345142237.db2.gz NOPWOEKXUMBMCY-KRWDZBQOSA-N 1 1 284.403 3.024 20 30 CGEDMO C=CC[N@@H+](CCC(=O)OC(C)(C)C)CCc1ccccc1 ZINC000062364206 345237919 /nfs/dbraw/zinc/23/79/19/345237919.db2.gz WDHINZCRFVVUBE-UHFFFAOYSA-N 1 1 289.419 3.449 20 30 CGEDMO CC(C)[N@@H+](CCc1ccncc1)Cc1ccc(C#N)cc1 ZINC000063751187 345253215 /nfs/dbraw/zinc/25/32/15/345253215.db2.gz YTZOHVWHABLJOQ-UHFFFAOYSA-N 1 1 279.387 3.406 20 30 CGEDMO C[C@@H](CNc1ccc(Cl)c(C#N)n1)[N@H+]1CCCC[C@H]1C ZINC000067351091 345319570 /nfs/dbraw/zinc/31/95/70/345319570.db2.gz GHSFVVPHNUXCNG-NEPJUHHUSA-N 1 1 292.814 3.281 20 30 CGEDMO CC[N@@H+](CCOc1ccc(C#N)cc1)[C@H](C)C(C)C ZINC000065299577 345271449 /nfs/dbraw/zinc/27/14/49/345271449.db2.gz UXDUDJWFAAFYMQ-CQSZACIVSA-N 1 1 260.381 3.303 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(C(=O)NC)cc1 ZINC000066871383 345309631 /nfs/dbraw/zinc/30/96/31/345309631.db2.gz GTLLHGIQRQNXKA-UHFFFAOYSA-N 1 1 294.398 3.234 20 30 CGEDMO CCOc1ccc(C[N@@H+](C)CCCSCC#N)cc1 ZINC000074981191 345489153 /nfs/dbraw/zinc/48/91/53/345489153.db2.gz KLEUTJBWAZRTHX-UHFFFAOYSA-N 1 1 278.421 3.164 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000076119893 345534592 /nfs/dbraw/zinc/53/45/92/345534592.db2.gz ALVLRYVSILWLHT-MRXNPFEDSA-N 1 1 258.409 3.159 20 30 CGEDMO C=CCCN1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000076119893 345534593 /nfs/dbraw/zinc/53/45/93/345534593.db2.gz ALVLRYVSILWLHT-MRXNPFEDSA-N 1 1 258.409 3.159 20 30 CGEDMO C=CCCN1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000076119893 345534597 /nfs/dbraw/zinc/53/45/97/345534597.db2.gz ALVLRYVSILWLHT-MRXNPFEDSA-N 1 1 258.409 3.159 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000076152761 345535482 /nfs/dbraw/zinc/53/54/82/345535482.db2.gz YUDNYHDUMWOPAI-MSOLQXFVSA-N 1 1 277.371 3.353 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000076152761 345535485 /nfs/dbraw/zinc/53/54/85/345535485.db2.gz YUDNYHDUMWOPAI-MSOLQXFVSA-N 1 1 277.371 3.353 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC1CCOCC1 ZINC000076152450 345535625 /nfs/dbraw/zinc/53/56/25/345535625.db2.gz IHLJPXFWYZEMEZ-QZTJIDSGSA-N 1 1 284.403 3.185 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](O)COCc1ccccc1Cl ZINC000077176948 345558431 /nfs/dbraw/zinc/55/84/31/345558431.db2.gz MQAGZANBENGNDQ-HNNXBMFYSA-N 1 1 297.826 3.116 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000075616653 345515827 /nfs/dbraw/zinc/51/58/27/345515827.db2.gz VUVNELDZVCMVNK-BETUJISGSA-N 1 1 296.374 3.086 20 30 CGEDMO CCC[N@@H+](C)C[C@@H]1CCN(c2c(Cl)cccc2C#N)C1 ZINC000078563242 345613590 /nfs/dbraw/zinc/61/35/90/345613590.db2.gz ALQZTGVXACNKDF-ZDUSSCGKSA-N 1 1 291.826 3.380 20 30 CGEDMO C=CCC[N@@H+](CC(=O)OC)[C@@H](CC)c1ccccc1 ZINC000090560422 345790275 /nfs/dbraw/zinc/79/02/75/345790275.db2.gz BUQYCTGZPAXJKW-HNNXBMFYSA-N 1 1 261.365 3.189 20 30 CGEDMO C[C@@H]1C[C@H](Nc2c(C#N)cnc3ccccc32)CC[N@H+]1C ZINC000090795374 345794163 /nfs/dbraw/zinc/79/41/63/345794163.db2.gz ZFRHSGLHWOZWKX-TZMCWYRMSA-N 1 1 280.375 3.001 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@H](C)[C@@H]2C)c1C#N ZINC000091071868 345802961 /nfs/dbraw/zinc/80/29/61/345802961.db2.gz LRJMGZBTYUKBHB-HIFRSBDPSA-N 1 1 294.402 3.283 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@H](C)[C@@H]2C)c1C#N ZINC000091071868 345802963 /nfs/dbraw/zinc/80/29/63/345802963.db2.gz LRJMGZBTYUKBHB-HIFRSBDPSA-N 1 1 294.402 3.283 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+](CC)C[C@H]1CCCO1 ZINC000092407356 345838002 /nfs/dbraw/zinc/83/80/02/345838002.db2.gz OECAYOGZFORICP-MRXNPFEDSA-N 1 1 275.392 3.252 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000092471354 345840999 /nfs/dbraw/zinc/84/09/99/345840999.db2.gz XMUYVVRUVYODNU-CQSZACIVSA-N 1 1 258.365 3.211 20 30 CGEDMO N#Cc1ccncc1NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000094159538 345897335 /nfs/dbraw/zinc/89/73/35/345897335.db2.gz DIGFOMGIXXKVMZ-KRWDZBQOSA-N 1 1 292.386 3.030 20 30 CGEDMO CCCC[N@H+]1CCCC[C@@H]1CNc1cnccc1C#N ZINC000094152536 345896720 /nfs/dbraw/zinc/89/67/20/345896720.db2.gz MJFSNSVTCYYABR-OAHLLOKOSA-N 1 1 272.396 3.020 20 30 CGEDMO N#Cc1csc(C[N@H+](CCO)[C@H]2CCc3ccccc32)c1 ZINC000093388125 345876889 /nfs/dbraw/zinc/87/68/89/345876889.db2.gz NZACLVQTBFTGJK-KRWDZBQOSA-N 1 1 298.411 3.102 20 30 CGEDMO CC1(C)CC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000093460293 345880147 /nfs/dbraw/zinc/88/01/47/345880147.db2.gz JQTLYEWWSMHDRS-UHFFFAOYSA-N 1 1 258.365 3.353 20 30 CGEDMO Cc1csc([C@H](C)[NH2+]Cc2ccc(C#N)cc2C)n1 ZINC000165312099 346183970 /nfs/dbraw/zinc/18/39/70/346183970.db2.gz CJOMUPOEYWZJQR-LBPRGKRZSA-N 1 1 271.389 3.482 20 30 CGEDMO COC(=O)C[C@@H]1CCCC[N@H+]1CCCCC(C)(C)C#N ZINC000234537708 346331484 /nfs/dbraw/zinc/33/14/84/346331484.db2.gz XOEOAQBINVHDGH-AWEZNQCLSA-N 1 1 280.412 3.124 20 30 CGEDMO C#C[C@@H](C)[NH2+]Cc1cc(Br)ccc1Cl ZINC000235220478 346334105 /nfs/dbraw/zinc/33/41/05/346334105.db2.gz ZMUHXSGVIAJNNN-MRVPVSSYSA-N 1 1 272.573 3.214 20 30 CGEDMO N#CCCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000228493706 346314933 /nfs/dbraw/zinc/31/49/33/346314933.db2.gz VUYQTIOCDNXZPJ-XHSDSOJGSA-N 1 1 264.413 3.086 20 30 CGEDMO CC[N@@H+](C)Cc1cccc(CNc2nccc(C)c2C#N)c1 ZINC000273292420 192102100 /nfs/dbraw/zinc/10/21/00/192102100.db2.gz FSMJIPFJZKXOOX-UHFFFAOYSA-N 1 1 294.402 3.326 20 30 CGEDMO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NCC2(C#N)CCCC2)C1 ZINC000593653754 347099928 /nfs/dbraw/zinc/09/99/28/347099928.db2.gz WNCKRMXGWMWJNL-SJLPKXTDSA-N 1 1 297.446 3.495 20 30 CGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NCC2(C#N)CCCC2)C1 ZINC000593653754 347099931 /nfs/dbraw/zinc/09/99/31/347099931.db2.gz WNCKRMXGWMWJNL-SJLPKXTDSA-N 1 1 297.446 3.495 20 30 CGEDMO C=CCCC1(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000354591242 346541874 /nfs/dbraw/zinc/54/18/74/346541874.db2.gz GLQQVVNADORZBR-IYBDPMFKSA-N 1 1 292.467 3.217 20 30 CGEDMO N#CCCCC[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000370015883 346551237 /nfs/dbraw/zinc/55/12/37/346551237.db2.gz BCNJQRGMSIJMTO-OAHLLOKOSA-N 1 1 286.423 3.093 20 30 CGEDMO Cc1ccc(Br)cc1C[NH2+][C@H](C)CC#N ZINC000389916893 346573686 /nfs/dbraw/zinc/57/36/86/346573686.db2.gz NOEMYMHXXOEXRN-SNVBAGLBSA-N 1 1 267.170 3.149 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000397744798 346584935 /nfs/dbraw/zinc/58/49/35/346584935.db2.gz NXZFBWOJJBACQA-CQSZACIVSA-N 1 1 254.377 3.301 20 30 CGEDMO CC1(C#N)CC[NH+](CCc2c(F)cccc2F)CC1 ZINC000402840413 346595939 /nfs/dbraw/zinc/59/59/39/346595939.db2.gz WZDGLXHVCWXMGF-UHFFFAOYSA-N 1 1 264.319 3.133 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403581896 346597200 /nfs/dbraw/zinc/59/72/00/346597200.db2.gz AWUVPRKOGMMJNR-IXDOHACOSA-N 1 1 254.377 3.426 20 30 CGEDMO CC[C@H]1C[N@@H+](CCCC(C)(C)C#N)[C@@H](CC)CO1 ZINC000403870157 346598211 /nfs/dbraw/zinc/59/82/11/346598211.db2.gz LCDLQSQXVVVAEP-KBPBESRZSA-N 1 1 252.402 3.206 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](OC(C)C)C1 ZINC000404728956 346600825 /nfs/dbraw/zinc/60/08/25/346600825.db2.gz YQFSOEIHXIREEO-KRWDZBQOSA-N 1 1 272.392 3.256 20 30 CGEDMO N#CC1(C[NH2+]Cc2cnn(Cc3ccccc3)c2)CCCC1 ZINC000405166551 346602571 /nfs/dbraw/zinc/60/25/71/346602571.db2.gz JHIRNCLGNGXNGT-UHFFFAOYSA-N 1 1 294.402 3.105 20 30 CGEDMO CC(C)C[N@@H+](C)CCCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000593716530 347106416 /nfs/dbraw/zinc/10/64/16/347106416.db2.gz RQNXECJAKGWFAJ-AWEZNQCLSA-N 1 1 291.414 3.326 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000589272751 346791885 /nfs/dbraw/zinc/79/18/85/346791885.db2.gz URZSIRGRLYUPOC-DLBZAZTESA-N 1 1 284.403 3.256 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000589300234 346793023 /nfs/dbraw/zinc/79/30/23/346793023.db2.gz ILGUGSGZWLKPHN-QZTJIDSGSA-N 1 1 296.414 3.400 20 30 CGEDMO Cc1ccc2c(c1)[C@H]([NH2+]Cc1nc(C#N)cs1)CC2 ZINC000589312532 346793644 /nfs/dbraw/zinc/79/36/44/346793644.db2.gz QIUQHFLZLCKBFT-CQSZACIVSA-N 1 1 269.373 3.100 20 30 CGEDMO CC(C)[N@@H+](C)C[C@@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000589350431 346794842 /nfs/dbraw/zinc/79/48/42/346794842.db2.gz UKGNZBNMMPEPAU-RDTXWAMCSA-N 1 1 285.435 3.254 20 30 CGEDMO CC(C)[N@H+](C)C[C@@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000589350431 346794844 /nfs/dbraw/zinc/79/48/44/346794844.db2.gz UKGNZBNMMPEPAU-RDTXWAMCSA-N 1 1 285.435 3.254 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccccc2C#N)CC2(CCCCC2)O1 ZINC000594058860 347147024 /nfs/dbraw/zinc/14/70/24/347147024.db2.gz STQSYESDLZSMFC-OAHLLOKOSA-N 1 1 284.403 3.482 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)CC2(CCCCC2)O1 ZINC000594058860 347147029 /nfs/dbraw/zinc/14/70/29/347147029.db2.gz STQSYESDLZSMFC-OAHLLOKOSA-N 1 1 284.403 3.482 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)nc1 ZINC000593962625 347124690 /nfs/dbraw/zinc/12/46/90/347124690.db2.gz UUSMEWOLVODSCQ-OAHLLOKOSA-N 1 1 281.334 3.082 20 30 CGEDMO CCC[N@@H+]1CCC[C@H]1CNCc1ccc(C(C)(C)C#N)cc1 ZINC000594506226 347181454 /nfs/dbraw/zinc/18/14/54/347181454.db2.gz NLLPBEICOVDHFX-SFHVURJKSA-N 1 1 299.462 3.452 20 30 CGEDMO CCC[N@H+]1CCC[C@H]1CNCc1ccc(C(C)(C)C#N)cc1 ZINC000594506226 347181456 /nfs/dbraw/zinc/18/14/56/347181456.db2.gz NLLPBEICOVDHFX-SFHVURJKSA-N 1 1 299.462 3.452 20 30 CGEDMO C[C@@H]1C[C@H]([NH2+]C2(c3ccc(C#N)cc3)CCC2)c2nccn21 ZINC000594519046 347188071 /nfs/dbraw/zinc/18/80/71/347188071.db2.gz SCSCFMFUQBUSIO-CJNGLKHVSA-N 1 1 292.386 3.430 20 30 CGEDMO N#CC1(C[NH2+]Cc2cnn(-c3ccccc3)c2)CCCCC1 ZINC000594994324 347251087 /nfs/dbraw/zinc/25/10/87/347251087.db2.gz KKRNWMFXTWWYIW-UHFFFAOYSA-N 1 1 294.402 3.436 20 30 CGEDMO CCc1nn(C)c(CC)c1C[NH2+]CC1(C#N)CCCCC1 ZINC000594981642 347248373 /nfs/dbraw/zinc/24/83/73/347248373.db2.gz SDIXYBAZJXHQBT-UHFFFAOYSA-N 1 1 288.439 3.109 20 30 CGEDMO N#CC1(C[NH2+]Cc2cc(-c3cccnc3)n[nH]2)CCCCC1 ZINC000594982050 347248869 /nfs/dbraw/zinc/24/88/69/347248869.db2.gz XRQQACVZRFCLMO-UHFFFAOYSA-N 1 1 295.390 3.035 20 30 CGEDMO CN(CC[C@H]1CCCC[N@H+]1C)[C@H](C#N)c1ccccc1 ZINC000595327736 347292150 /nfs/dbraw/zinc/29/21/50/347292150.db2.gz RKEWBRHGTOGLTI-IAGOWNOFSA-N 1 1 271.408 3.057 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCS[C@@H]3CCCC[C@H]32)cc1 ZINC000595337916 347294025 /nfs/dbraw/zinc/29/40/25/347294025.db2.gz DFXKOTIGRSWZQM-IAGOWNOFSA-N 1 1 286.444 3.461 20 30 CGEDMO CO[C@H](C[N@H+](C[C@H](C)C#N)C1CC1)C1CCCCC1 ZINC000595387245 347297534 /nfs/dbraw/zinc/29/75/34/347297534.db2.gz CQDPTBJPTIKHLU-CZUORRHYSA-N 1 1 264.413 3.206 20 30 CGEDMO CO[C@H](C[N@@H+](C[C@H](C)C#N)C1CC1)C1CCCCC1 ZINC000595387245 347297536 /nfs/dbraw/zinc/29/75/36/347297536.db2.gz CQDPTBJPTIKHLU-CZUORRHYSA-N 1 1 264.413 3.206 20 30 CGEDMO Cc1cnc(CC[N@H+](C)CCc2ccc(C#N)cc2)s1 ZINC000595390450 347297604 /nfs/dbraw/zinc/29/76/04/347297604.db2.gz WOTVKVZYYGHGEK-UHFFFAOYSA-N 1 1 285.416 3.040 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000595398988 347298630 /nfs/dbraw/zinc/29/86/30/347298630.db2.gz UDGWZBRTTBMZDL-SFHVURJKSA-N 1 1 277.371 3.333 20 30 CGEDMO C[C@@H](N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(C#N)cc1F ZINC000595056877 347272733 /nfs/dbraw/zinc/27/27/33/347272733.db2.gz SAHTXWHVFXQUPA-TZMCWYRMSA-N 1 1 289.398 3.221 20 30 CGEDMO CC(C)(C)[N@@H+]1CC[C@@H](N[C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000595057484 347272752 /nfs/dbraw/zinc/27/27/52/347272752.db2.gz XQVYLERWAMOZTO-NVXWUHKLSA-N 1 1 283.419 3.008 20 30 CGEDMO CC(C)(C)[N@H+]1CC[C@@H](N[C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000595057484 347272755 /nfs/dbraw/zinc/27/27/55/347272755.db2.gz XQVYLERWAMOZTO-NVXWUHKLSA-N 1 1 283.419 3.008 20 30 CGEDMO COc1cccc(SCC[N@@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000595426206 347301672 /nfs/dbraw/zinc/30/16/72/347301672.db2.gz OUFZFWYGHFENRK-INIZCTEOSA-N 1 1 290.432 3.413 20 30 CGEDMO COc1cccc(SCC[N@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000595426206 347301674 /nfs/dbraw/zinc/30/16/74/347301674.db2.gz OUFZFWYGHFENRK-INIZCTEOSA-N 1 1 290.432 3.413 20 30 CGEDMO CC[C@H](C)[N@@H+](CC)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000595600145 347324084 /nfs/dbraw/zinc/32/40/84/347324084.db2.gz MQBGNKOGJXQKOC-NSHDSACASA-N 1 1 261.325 3.087 20 30 CGEDMO CCN(C(=O)[C@@H](C)[N@@H+]1CCC[C@H](CC#N)C1)c1ccccc1 ZINC000595609385 347325672 /nfs/dbraw/zinc/32/56/72/347325672.db2.gz JHCUBUBEMARWNE-HZPDHXFCSA-N 1 1 299.418 3.054 20 30 CGEDMO CCN(C(=O)[C@@H](C)[N@H+]1CCC[C@H](CC#N)C1)c1ccccc1 ZINC000595609385 347325676 /nfs/dbraw/zinc/32/56/76/347325676.db2.gz JHCUBUBEMARWNE-HZPDHXFCSA-N 1 1 299.418 3.054 20 30 CGEDMO CC(C)n1ccc(C[NH2+]C(C)(C)c2cccc(C#N)c2)n1 ZINC000595636568 347331353 /nfs/dbraw/zinc/33/13/53/347331353.db2.gz QYCXZQMXGFCNBS-UHFFFAOYSA-N 1 1 282.391 3.361 20 30 CGEDMO C[C@@H]1COC2(CCC2)C[N@H+]1CCCCC(C)(C)C#N ZINC000595683698 347337239 /nfs/dbraw/zinc/33/72/39/347337239.db2.gz YMTWUSDMCPVNAO-CQSZACIVSA-N 1 1 264.413 3.350 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](C(=O)OC)[C@H]2CCCC[C@H]21 ZINC000595731337 347347761 /nfs/dbraw/zinc/34/77/61/347347761.db2.gz BEVZTBVTSBIMPY-QLFBSQMISA-N 1 1 265.397 3.006 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595779533 347354950 /nfs/dbraw/zinc/35/49/50/347354950.db2.gz BTTPAHMPLUWRJD-RDBSUJKOSA-N 1 1 258.365 3.119 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595786282 347355937 /nfs/dbraw/zinc/35/59/37/347355937.db2.gz HKKACBFWFNDTGD-ZWKOTPCHSA-N 1 1 284.403 3.339 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1 ZINC000595490037 347310668 /nfs/dbraw/zinc/31/06/68/347310668.db2.gz KYZOVPDENQGXCL-QZTJIDSGSA-N 1 1 296.414 3.134 20 30 CGEDMO N#Cc1cccc(OCCC[N@H+]2C[C@@H]3CCCC[C@@H]32)c1 ZINC000595568441 347320405 /nfs/dbraw/zinc/32/04/05/347320405.db2.gz VKKHSACKBUDNCA-RDJZCZTQSA-N 1 1 270.376 3.202 20 30 CGEDMO Cc1cccc(C)c1OCCC[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595839075 347364193 /nfs/dbraw/zinc/36/41/93/347364193.db2.gz HDLGOFYSUXHABH-KRWDZBQOSA-N 1 1 272.392 3.308 20 30 CGEDMO Cc1cccc(C)c1OCCC[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595839075 347364197 /nfs/dbraw/zinc/36/41/97/347364197.db2.gz HDLGOFYSUXHABH-KRWDZBQOSA-N 1 1 272.392 3.308 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000595843203 347366075 /nfs/dbraw/zinc/36/60/75/347366075.db2.gz JHDNLTMSBTYCCX-CVEARBPZSA-N 1 1 258.340 3.439 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000595843203 347366077 /nfs/dbraw/zinc/36/60/77/347366077.db2.gz JHDNLTMSBTYCCX-CVEARBPZSA-N 1 1 258.340 3.439 20 30 CGEDMO CC[C@@H](OCC[N@@H+]1CC[C@@](C)(C#N)C1)c1ccccc1 ZINC000595842974 347366105 /nfs/dbraw/zinc/36/61/05/347366105.db2.gz XBIIAVAQUGZFLO-SJORKVTESA-N 1 1 272.392 3.390 20 30 CGEDMO CC[C@@H](OCC[N@H+]1CC[C@@](C)(C#N)C1)c1ccccc1 ZINC000595842974 347366108 /nfs/dbraw/zinc/36/61/08/347366108.db2.gz XBIIAVAQUGZFLO-SJORKVTESA-N 1 1 272.392 3.390 20 30 CGEDMO CO[C@@H](C[N@@H+]1CC[C@@](C)(C#N)C1)c1ccc(Cl)cc1 ZINC000595845148 347367032 /nfs/dbraw/zinc/36/70/32/347367032.db2.gz YWVLQZMSOHUWIO-GJZGRUSLSA-N 1 1 278.783 3.263 20 30 CGEDMO CO[C@@H](C[N@H+]1CC[C@@](C)(C#N)C1)c1ccc(Cl)cc1 ZINC000595845148 347367033 /nfs/dbraw/zinc/36/70/33/347367033.db2.gz YWVLQZMSOHUWIO-GJZGRUSLSA-N 1 1 278.783 3.263 20 30 CGEDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC000595858593 347368037 /nfs/dbraw/zinc/36/80/37/347368037.db2.gz XQCCWBKPGPOQGF-PHTAMDTFSA-N 1 1 258.340 3.460 20 30 CGEDMO CC(C)(C)[N@H+]1CC[C@H](CNc2ncc(C#N)cc2Cl)C1 ZINC000596307801 347414224 /nfs/dbraw/zinc/41/42/24/347414224.db2.gz PESINNCNECFEOE-LLVKDONJSA-N 1 1 292.814 3.139 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000595913159 347372681 /nfs/dbraw/zinc/37/26/81/347372681.db2.gz CGPFWBIGUARMEZ-WQGACYEGSA-N 1 1 294.345 3.364 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000595913159 347372683 /nfs/dbraw/zinc/37/26/83/347372683.db2.gz CGPFWBIGUARMEZ-WQGACYEGSA-N 1 1 294.345 3.364 20 30 CGEDMO Cc1cc(CO)cc(N[C@H](CCC#N)c2ccccc2)[nH+]1 ZINC000596171100 347393984 /nfs/dbraw/zinc/39/39/84/347393984.db2.gz GEMAXUISDPPLBS-MRXNPFEDSA-N 1 1 281.359 3.339 20 30 CGEDMO CC1(C)C[N@H+]([C@@H]2CC[C@@H](C#N)C2)[C@H]1c1cccnc1 ZINC000596589679 347483547 /nfs/dbraw/zinc/48/35/47/347483547.db2.gz BOSGHXUGRHOAHQ-YUELXQCFSA-N 1 1 255.365 3.157 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000597173911 347544078 /nfs/dbraw/zinc/54/40/78/347544078.db2.gz NIVNEEHJCJIDQD-OAHLLOKOSA-N 1 1 270.376 3.377 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2cnc(C3CC3)s2)C1 ZINC000597175126 347544104 /nfs/dbraw/zinc/54/41/04/347544104.db2.gz XBNAMVNMRHNVHR-LLVKDONJSA-N 1 1 261.394 3.146 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cnc(C3CC3)s2)C1 ZINC000597175126 347544107 /nfs/dbraw/zinc/54/41/07/347544107.db2.gz XBNAMVNMRHNVHR-LLVKDONJSA-N 1 1 261.394 3.146 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000597173910 347544483 /nfs/dbraw/zinc/54/44/83/347544483.db2.gz NIVNEEHJCJIDQD-HNNXBMFYSA-N 1 1 270.376 3.377 20 30 CGEDMO Cc1ccccc1-n1cc(C[N@H+]2CCC[C@H](CC#N)C2)cn1 ZINC000597175553 347544514 /nfs/dbraw/zinc/54/45/14/347544514.db2.gz BLCVQOWUJKNAMK-MRXNPFEDSA-N 1 1 294.402 3.306 20 30 CGEDMO CC(C)C[C@@H]1COCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597015067 347527606 /nfs/dbraw/zinc/52/76/06/347527606.db2.gz IQWYBVHITXMILP-GOSISDBHSA-N 1 1 298.430 3.489 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](CC2Cc3ccccc3C2)C1 ZINC000597177024 347545142 /nfs/dbraw/zinc/54/51/42/347545142.db2.gz LTUPYLCGFRQTHW-CQSZACIVSA-N 1 1 254.377 3.027 20 30 CGEDMO Cc1[nH+]cc(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)n1C ZINC000597025531 347528202 /nfs/dbraw/zinc/52/82/02/347528202.db2.gz BUSIBHDIUHKOQV-QZTJIDSGSA-N 1 1 294.402 3.000 20 30 CGEDMO Cc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)c(-c2cnn(C)c2)c1 ZINC000597232714 347559540 /nfs/dbraw/zinc/55/95/40/347559540.db2.gz WASBMVGCUGHEDN-GOSISDBHSA-N 1 1 294.402 3.131 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)c(-c2cnn(C)c2)c1 ZINC000597232714 347559543 /nfs/dbraw/zinc/55/95/43/347559543.db2.gz WASBMVGCUGHEDN-GOSISDBHSA-N 1 1 294.402 3.131 20 30 CGEDMO CCn1nc(C)c(C[N@@H+](C)CCc2ccc(C#N)cc2)c1C ZINC000597241990 347561626 /nfs/dbraw/zinc/56/16/26/347561626.db2.gz CDXBCLPLRSCQJS-UHFFFAOYSA-N 1 1 296.418 3.066 20 30 CGEDMO COc1cc(C[N@@H+](C)C[C@@H]2CC2(C)C)ccc1C#N ZINC000597253798 347563033 /nfs/dbraw/zinc/56/30/33/347563033.db2.gz FGPLEYDCXYKNAB-AWEZNQCLSA-N 1 1 258.365 3.045 20 30 CGEDMO CC1(c2ccccc2)C[NH+](Cc2ccc(C#N)s2)C1 ZINC000598678429 347678015 /nfs/dbraw/zinc/67/80/15/347678015.db2.gz YAIJCGDCJPYIIN-UHFFFAOYSA-N 1 1 268.385 3.393 20 30 CGEDMO C[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@H]1CCCc2ccccc21 ZINC000598584734 347666171 /nfs/dbraw/zinc/66/61/71/347666171.db2.gz UDYNZRWLOTUASP-WBVHZDCISA-N 1 1 286.419 3.297 20 30 CGEDMO Cc1ccccc1[C@@H]1CCC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598585748 347666952 /nfs/dbraw/zinc/66/69/52/347666952.db2.gz KQALIAGKNMQROC-WBVHZDCISA-N 1 1 286.419 3.433 20 30 CGEDMO C[C@H](c1ccccc1F)[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598585441 347667031 /nfs/dbraw/zinc/66/70/31/347667031.db2.gz CXKPDUPZDDEGKJ-CHWSQXEVSA-N 1 1 278.371 3.119 20 30 CGEDMO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598593592 347668576 /nfs/dbraw/zinc/66/85/76/347668576.db2.gz VBABEWXFQHMPDE-IUODEOHRSA-N 1 1 290.382 3.046 20 30 CGEDMO COC(=O)c1cccc(C[N@H+]2CCCC3(CC3)CC2)c1C#N ZINC000599673803 347764374 /nfs/dbraw/zinc/76/43/74/347764374.db2.gz ZHCPWFOUBODNLA-UHFFFAOYSA-N 1 1 298.386 3.111 20 30 CGEDMO CO[C@@H](CC(C)C)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678456 347764717 /nfs/dbraw/zinc/76/47/17/347764717.db2.gz RDGPXPCWVLQZHD-KRWDZBQOSA-N 1 1 286.419 3.172 20 30 CGEDMO C/C=C\C[C@H]1CCC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000599688977 347766249 /nfs/dbraw/zinc/76/62/49/347766249.db2.gz GYQVOIVGJDGYSZ-SFAKSCPVSA-N 1 1 255.365 3.131 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCOc3ccccc3C2)cc1C#N ZINC000599269194 347731034 /nfs/dbraw/zinc/73/10/34/347731034.db2.gz ONTDYNMFBWULEG-UHFFFAOYSA-N 1 1 278.355 3.261 20 30 CGEDMO Cc1ccc(C[N@H+]2CCOc3ccccc3C2)cc1C#N ZINC000599269194 347731036 /nfs/dbraw/zinc/73/10/36/347731036.db2.gz ONTDYNMFBWULEG-UHFFFAOYSA-N 1 1 278.355 3.261 20 30 CGEDMO Cc1ncsc1C[N@@H+](C)Cc1ccc(C)c(C#N)c1 ZINC000599287158 347731518 /nfs/dbraw/zinc/73/15/18/347731518.db2.gz RKBOITWNFPZSDG-UHFFFAOYSA-N 1 1 271.389 3.264 20 30 CGEDMO Cc1ncsc1C[N@H+](C)Cc1ccc(C)c(C#N)c1 ZINC000599287158 347731522 /nfs/dbraw/zinc/73/15/22/347731522.db2.gz RKBOITWNFPZSDG-UHFFFAOYSA-N 1 1 271.389 3.264 20 30 CGEDMO Cc1ccc(C[N@@H+](Cc2ccncc2)C2CC2)cc1C#N ZINC000599336090 347736503 /nfs/dbraw/zinc/73/65/03/347736503.db2.gz FVGLZNVBHRBYLO-UHFFFAOYSA-N 1 1 277.371 3.426 20 30 CGEDMO Cc1ccc(C[N@H+](C)[C@@H](C)c2cccnc2)cc1C#N ZINC000599348877 347738288 /nfs/dbraw/zinc/73/82/88/347738288.db2.gz RGGVYHKQBMQMSP-AWEZNQCLSA-N 1 1 265.360 3.455 20 30 CGEDMO Cc1ccc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1C#N ZINC000599424805 347743345 /nfs/dbraw/zinc/74/33/45/347743345.db2.gz VOUYYFHWEGJABF-ZWKOTPCHSA-N 1 1 296.414 3.400 20 30 CGEDMO CO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C)c(C#N)c2)C12CCC2 ZINC000599434849 347744648 /nfs/dbraw/zinc/74/46/48/347744648.db2.gz JWVUXHBPAJJQJK-IAGOWNOFSA-N 1 1 284.403 3.256 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1 ZINC000599553106 347753860 /nfs/dbraw/zinc/75/38/60/347753860.db2.gz NIZZKLLCDQOIPI-CVEARBPZSA-N 1 1 272.417 3.071 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599586830 347755942 /nfs/dbraw/zinc/75/59/42/347755942.db2.gz JHMZZUSFIKKVMD-ZIAGYGMSSA-N 1 1 267.413 3.252 20 30 CGEDMO COc1ccc(C(C)(C)[NH2+]Cc2ccncc2C#N)cc1F ZINC000599596626 347756956 /nfs/dbraw/zinc/75/69/56/347756956.db2.gz DCLIJZXUEFERLT-UHFFFAOYSA-N 1 1 299.349 3.126 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CCO[C@@H](CCF)C2)cc1 ZINC000599640023 347760667 /nfs/dbraw/zinc/76/06/67/347760667.db2.gz BQVBVMINSKIJEM-INIZCTEOSA-N 1 1 290.382 3.048 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCO[C@@H](CCF)C2)cc1 ZINC000599640023 347760670 /nfs/dbraw/zinc/76/06/70/347760670.db2.gz BQVBVMINSKIJEM-INIZCTEOSA-N 1 1 290.382 3.048 20 30 CGEDMO CC(C)Cc1ccccc1C[NH2+]C[C@H](C#N)CCC#N ZINC000600599057 347812506 /nfs/dbraw/zinc/81/25/06/347812506.db2.gz CYVICCIBJWGQAJ-HNNXBMFYSA-N 1 1 269.392 3.418 20 30 CGEDMO Cc1nocc1C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000601142613 347875145 /nfs/dbraw/zinc/87/51/45/347875145.db2.gz WIPBCMOCBSJXAQ-UHFFFAOYSA-N 1 1 295.264 3.163 20 30 CGEDMO Cc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)o1 ZINC000601305450 347890389 /nfs/dbraw/zinc/89/03/89/347890389.db2.gz YEZMGSAVXOQTJV-NSHDSACASA-N 1 1 258.296 3.450 20 30 CGEDMO N#C[C@@H]1CC[C@H]([NH2+][C@H](CF)c2ccc(F)cc2)C1 ZINC000601318525 347891957 /nfs/dbraw/zinc/89/19/57/347891957.db2.gz NQVNTUVCXHRJQR-DDTOSNHZSA-N 1 1 250.292 3.118 20 30 CGEDMO C[C@]1(C2CCCCC2)CC[N@H+]1C[C@H](O)CC1(C#N)CC1 ZINC000601961205 347930143 /nfs/dbraw/zinc/93/01/43/347930143.db2.gz BREYSEHZJUFKPS-HZPDHXFCSA-N 1 1 276.424 3.086 20 30 CGEDMO C[C@H](CCC#N)C[NH2+]CC(C)(C)N1C[C@H](C)C[C@H](C)C1 ZINC000602529764 347976458 /nfs/dbraw/zinc/97/64/58/347976458.db2.gz OSVIKEWNRIEKKU-OAGGEKHMSA-N 1 1 279.472 3.272 20 30 CGEDMO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)C[C@@H](C)CCC#N ZINC000602430187 347955906 /nfs/dbraw/zinc/95/59/06/347955906.db2.gz IVMZGBFGTJNTLB-LSDHHAIUSA-N 1 1 297.406 3.200 20 30 CGEDMO Cc1ccccc1OCC[N@H+](C)C[C@@H](C)CCC#N ZINC000602436265 347957228 /nfs/dbraw/zinc/95/72/28/347957228.db2.gz MLGZIFKQVUISOY-AWEZNQCLSA-N 1 1 260.381 3.246 20 30 CGEDMO CC[C@H](C)[C@H](C[N@@H+](C)Cc1ccc(C#N)cc1)OC ZINC000602438016 347958098 /nfs/dbraw/zinc/95/80/98/347958098.db2.gz GDYYVRKMYAJCPO-BBRMVZONSA-N 1 1 260.381 3.051 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000602444221 347959510 /nfs/dbraw/zinc/95/95/10/347959510.db2.gz ZGTWKMXWZIFHKC-CJNGLKHVSA-N 1 1 276.355 3.139 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000602444221 347959512 /nfs/dbraw/zinc/95/95/12/347959512.db2.gz ZGTWKMXWZIFHKC-CJNGLKHVSA-N 1 1 276.355 3.139 20 30 CGEDMO CCC[N@H+](Cc1ccns1)Cc1ccc(C#N)cc1 ZINC000602444805 347959517 /nfs/dbraw/zinc/95/95/17/347959517.db2.gz QHDXYHPXQOCRBQ-UHFFFAOYSA-N 1 1 271.389 3.427 20 30 CGEDMO CCC[N@@H+](Cc1ccns1)Cc1ccc(C#N)cc1 ZINC000602444805 347959519 /nfs/dbraw/zinc/95/95/19/347959519.db2.gz QHDXYHPXQOCRBQ-UHFFFAOYSA-N 1 1 271.389 3.427 20 30 CGEDMO Cc1nc2sccn2c1C[N@H+](C)C[C@@H](C)CCC#N ZINC000602457321 347961311 /nfs/dbraw/zinc/96/13/11/347961311.db2.gz FYJWLAGGGQUBPI-NSHDSACASA-N 1 1 276.409 3.076 20 30 CGEDMO Cn1c(C[N@H+](CCC#N)CC2CC2)cc2ccccc21 ZINC000602466439 347962789 /nfs/dbraw/zinc/96/27/89/347962789.db2.gz WMRUJAWZIKTVNA-UHFFFAOYSA-N 1 1 267.376 3.304 20 30 CGEDMO Cn1c(C[N@@H+](CCC#N)CC2CC2)cc2ccccc21 ZINC000602466439 347962794 /nfs/dbraw/zinc/96/27/94/347962794.db2.gz WMRUJAWZIKTVNA-UHFFFAOYSA-N 1 1 267.376 3.304 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000602468164 347962857 /nfs/dbraw/zinc/96/28/57/347962857.db2.gz JWTMXVDVZKJLLR-MAUKXSAKSA-N 1 1 286.419 3.298 20 30 CGEDMO CC[C@H](C)[C@H](C)[N@@H+](Cc1cccc(C#N)n1)C1CC1 ZINC000602465381 347963062 /nfs/dbraw/zinc/96/30/62/347963062.db2.gz QCHYXUDKEIQFTJ-STQMWFEESA-N 1 1 257.381 3.352 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)n1 ZINC000602473744 347963631 /nfs/dbraw/zinc/96/36/31/347963631.db2.gz WQVWBPHBIXCWPS-HNNXBMFYSA-N 1 1 295.361 3.157 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000602468872 347964177 /nfs/dbraw/zinc/96/41/77/347964177.db2.gz NWJFNYRRRTWNOR-MAUKXSAKSA-N 1 1 286.419 3.298 20 30 CGEDMO Cc1ccc(C[C@H](C)[N@@H+](C)Cc2cccc(C#N)n2)cc1 ZINC000602473174 347964382 /nfs/dbraw/zinc/96/43/82/347964382.db2.gz JWPNAPOUMXQGPW-HNNXBMFYSA-N 1 1 279.387 3.325 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)n1 ZINC000602477937 347965146 /nfs/dbraw/zinc/96/51/46/347965146.db2.gz UTEMQPMPWLUKSU-SFHVURJKSA-N 1 1 292.386 3.030 20 30 CGEDMO N#CC1CCC([NH2+]C[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000602649952 348001574 /nfs/dbraw/zinc/00/15/74/348001574.db2.gz QVHOQHHGJFPCBR-CUYAVPTFSA-N 1 1 297.446 3.180 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+](CCN(C)C)Cc1ccccc1F ZINC000602659811 348003730 /nfs/dbraw/zinc/00/37/30/348003730.db2.gz SMVBMLIMWSEMKK-HNNXBMFYSA-N 1 1 291.414 3.129 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](CCN(C)C)Cc1ccccc1F ZINC000602659811 348003734 /nfs/dbraw/zinc/00/37/34/348003734.db2.gz SMVBMLIMWSEMKK-HNNXBMFYSA-N 1 1 291.414 3.129 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000602670657 348005892 /nfs/dbraw/zinc/00/58/92/348005892.db2.gz BJQLRIAYTFPGIS-KGLIPLIRSA-N 1 1 258.365 3.209 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H]1COc1ccccc1 ZINC000602682949 348008347 /nfs/dbraw/zinc/00/83/47/348008347.db2.gz YQITZWGGLSWZDF-CVEARBPZSA-N 1 1 272.392 3.470 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000602684406 348009157 /nfs/dbraw/zinc/00/91/57/348009157.db2.gz XSOFPQWGPGTIOO-QZTJIDSGSA-N 1 1 299.462 3.380 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cc[nH]c(=O)c1 ZINC000602786662 348029102 /nfs/dbraw/zinc/02/91/02/348029102.db2.gz SKXQTASACYAMQE-IAGOWNOFSA-N 1 1 293.370 3.059 20 30 CGEDMO COc1cccc(C)c1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000602705817 348013472 /nfs/dbraw/zinc/01/34/72/348013472.db2.gz MJWFOSDJRLRBBG-CQSZACIVSA-N 1 1 258.365 3.129 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@H](C3CCCCC3)C2)n1 ZINC000602708704 348014343 /nfs/dbraw/zinc/01/43/43/348014343.db2.gz KTLMUMZGPFBWKU-HNNXBMFYSA-N 1 1 269.392 3.355 20 30 CGEDMO C[C@@]1(c2ccccc2)CC[N@@H+](CC2(CC#N)CC2)C1 ZINC000602786265 348029418 /nfs/dbraw/zinc/02/94/18/348029418.db2.gz FOGFQPNARVGCAE-MRXNPFEDSA-N 1 1 254.377 3.344 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](O)C[C@@H]2c2ccccc2)s1 ZINC000602730307 348020117 /nfs/dbraw/zinc/02/01/17/348020117.db2.gz FIRHVHAFKZILAM-WMLDXEAASA-N 1 1 298.411 3.318 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](O)C[C@@H]2c2ccccc2)s1 ZINC000602730305 348020167 /nfs/dbraw/zinc/02/01/67/348020167.db2.gz FIRHVHAFKZILAM-RHSMWYFYSA-N 1 1 298.411 3.318 20 30 CGEDMO COc1cccc(C[C@H]2CCC[N@H+]2CC2(CC#N)CC2)c1 ZINC000602769676 348026049 /nfs/dbraw/zinc/02/60/49/348026049.db2.gz URLFLJYMKQDAMB-MRXNPFEDSA-N 1 1 284.403 3.396 20 30 CGEDMO C[C@@H]1C[N@H+](CC2(CC#N)CC2)[C@H](c2ccccc2)CO1 ZINC000602779155 348027026 /nfs/dbraw/zinc/02/70/26/348027026.db2.gz BLSIFQMKEIVJOW-ZBFHGGJFSA-N 1 1 270.376 3.142 20 30 CGEDMO C[C@@H]1C[N@@H+](CC2(CC#N)CC2)[C@H](c2ccccc2)CO1 ZINC000602779155 348027030 /nfs/dbraw/zinc/02/70/30/348027030.db2.gz BLSIFQMKEIVJOW-ZBFHGGJFSA-N 1 1 270.376 3.142 20 30 CGEDMO C[C@H]1CN(c2ccccc2F)CC[N@@H+]1CC1(CC#N)CC1 ZINC000602814800 348033208 /nfs/dbraw/zinc/03/32/08/348033208.db2.gz IHSSZBPJOHGRFB-AWEZNQCLSA-N 1 1 287.382 3.030 20 30 CGEDMO C[C@H]1CN(c2ccccc2F)CC[N@H+]1CC1(CC#N)CC1 ZINC000602814800 348033214 /nfs/dbraw/zinc/03/32/14/348033214.db2.gz IHSSZBPJOHGRFB-AWEZNQCLSA-N 1 1 287.382 3.030 20 30 CGEDMO CCn1nc(C)c(C[N@@H+](C)Cc2ccc(CC#N)cc2)c1C ZINC000602925281 348045019 /nfs/dbraw/zinc/04/50/19/348045019.db2.gz JPKJVOSRUNBNPB-UHFFFAOYSA-N 1 1 296.418 3.218 20 30 CGEDMO C[N@@H+](Cc1cccc2ncccc12)[C@@H]1CCC[C@H]1C#N ZINC000602981704 348051023 /nfs/dbraw/zinc/05/10/23/348051023.db2.gz IGONFCICRBKIQE-SUMWQHHRSA-N 1 1 265.360 3.359 20 30 CGEDMO COc1cc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)ccc1C ZINC000602981789 348051027 /nfs/dbraw/zinc/05/10/27/348051027.db2.gz JRYFAFLZEAIVJL-GJZGRUSLSA-N 1 1 258.365 3.128 20 30 CGEDMO COc1cc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)ccc1C ZINC000602981789 348051028 /nfs/dbraw/zinc/05/10/28/348051028.db2.gz JRYFAFLZEAIVJL-GJZGRUSLSA-N 1 1 258.365 3.128 20 30 CGEDMO C[N@@H+](CC1CCC(F)(F)CC1)[C@@H]1CCC[C@@H]1C#N ZINC000602981289 348051693 /nfs/dbraw/zinc/05/16/93/348051693.db2.gz AXKITHUWDGVQTC-CHWSQXEVSA-N 1 1 256.340 3.436 20 30 CGEDMO C[N@H+](CCc1nsc2ccccc21)[C@H]1CCC[C@H]1C#N ZINC000602982393 348052392 /nfs/dbraw/zinc/05/23/92/348052392.db2.gz RWESRINYTQBLTK-WFASDCNBSA-N 1 1 285.416 3.463 20 30 CGEDMO C[N@@H+](CCc1nsc2ccccc21)[C@H]1CCC[C@H]1C#N ZINC000602982393 348052397 /nfs/dbraw/zinc/05/23/97/348052397.db2.gz RWESRINYTQBLTK-WFASDCNBSA-N 1 1 285.416 3.463 20 30 CGEDMO N#CCC[C@H](C#N)C[N@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000602999972 348054064 /nfs/dbraw/zinc/05/40/64/348054064.db2.gz QFMDMFYPKZGQGL-GDBMZVCRSA-N 1 1 259.397 3.332 20 30 CGEDMO CC(C)(C#N)CC[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC000603017577 348054786 /nfs/dbraw/zinc/05/47/86/348054786.db2.gz IVAFHBCSSGXRSR-ZDUSSCGKSA-N 1 1 252.308 3.366 20 30 CGEDMO CC[N@@H+](Cc1cccc(C#N)c1F)[C@H]1CCOC(C)(C)C1 ZINC000351926268 219250231 /nfs/dbraw/zinc/25/02/31/219250231.db2.gz NXNUPLQMCGHSAM-HNNXBMFYSA-N 1 1 290.382 3.477 20 30 CGEDMO CC(C)c1cc(C[NH2+]Cc2cc(C#N)cs2)on1 ZINC000610488756 348384752 /nfs/dbraw/zinc/38/47/52/348384752.db2.gz OOXBKWZGXWXIQD-UHFFFAOYSA-N 1 1 261.350 3.021 20 30 CGEDMO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1ccnc(C#N)c1 ZINC000610991493 348414165 /nfs/dbraw/zinc/41/41/65/348414165.db2.gz OGSJQPPZGUVGMB-LLVKDONJSA-N 1 1 287.313 3.424 20 30 CGEDMO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000610991493 348414167 /nfs/dbraw/zinc/41/41/67/348414167.db2.gz OGSJQPPZGUVGMB-LLVKDONJSA-N 1 1 287.313 3.424 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCSC[C@H]2c2ccccc2)ccn1 ZINC000610993168 348415288 /nfs/dbraw/zinc/41/52/88/348415288.db2.gz GCLGXKJOOGCBIW-KRWDZBQOSA-N 1 1 295.411 3.243 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCSC[C@H]2c2ccccc2)ccn1 ZINC000610993168 348415290 /nfs/dbraw/zinc/41/52/90/348415290.db2.gz GCLGXKJOOGCBIW-KRWDZBQOSA-N 1 1 295.411 3.243 20 30 CGEDMO CC[C@H](C[N@@H+](CCC#N)CCOC)c1ccccc1 ZINC000611268769 348433111 /nfs/dbraw/zinc/43/31/11/348433111.db2.gz SZHANHPZHXZEFC-OAHLLOKOSA-N 1 1 260.381 3.042 20 30 CGEDMO CC[C@H](C[N@H+](CCC#N)CCOC)c1ccccc1 ZINC000611268769 348433115 /nfs/dbraw/zinc/43/31/15/348433115.db2.gz SZHANHPZHXZEFC-OAHLLOKOSA-N 1 1 260.381 3.042 20 30 CGEDMO CC[N@H+]1CCN(c2ccc(C#N)cc2C(F)(F)F)C[C@H]1C ZINC000611084590 348421545 /nfs/dbraw/zinc/42/15/45/348421545.db2.gz FXWKMOXACLSNAO-LLVKDONJSA-N 1 1 297.324 3.107 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C(F)F)C1 ZINC000611180519 348426826 /nfs/dbraw/zinc/42/68/26/348426826.db2.gz YVTBJGGKLHQXQJ-ZWNOBZJWSA-N 1 1 250.292 3.206 20 30 CGEDMO COC(=O)c1cc(C[NH2+][C@@H](C)c2cccc(C#N)c2)oc1C ZINC000611388758 348443429 /nfs/dbraw/zinc/44/34/29/348443429.db2.gz MLEAVIXZQVUMCG-NSHDSACASA-N 1 1 298.342 3.097 20 30 CGEDMO C[C@@H](CN[C@@H]1CCCc2cc(C#N)ccc21)C[NH+]1CCCC1 ZINC000611391135 348444471 /nfs/dbraw/zinc/44/44/71/348444471.db2.gz UUKZGRUPNLKLIE-HNAYVOBHSA-N 1 1 297.446 3.257 20 30 CGEDMO CC[NH+](CC)CCCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000611390016 348444744 /nfs/dbraw/zinc/44/47/44/348444744.db2.gz HSLRNQNBMZOUAS-SFHVURJKSA-N 1 1 285.435 3.257 20 30 CGEDMO N#CC1(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)CC1 ZINC000611430666 348451761 /nfs/dbraw/zinc/45/17/61/348451761.db2.gz XKNCLNHFZBWMOG-ZDUSSCGKSA-N 1 1 281.359 3.311 20 30 CGEDMO N#CC1(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)CC1 ZINC000611430666 348451763 /nfs/dbraw/zinc/45/17/63/348451763.db2.gz XKNCLNHFZBWMOG-ZDUSSCGKSA-N 1 1 281.359 3.311 20 30 CGEDMO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1ccnc(C#N)c1 ZINC000611554375 348460503 /nfs/dbraw/zinc/46/05/03/348460503.db2.gz MXCIRWNOOCDCCO-CMPLNLGQSA-N 1 1 283.297 3.116 20 30 CGEDMO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1ccnc(C#N)c1 ZINC000611554375 348460507 /nfs/dbraw/zinc/46/05/07/348460507.db2.gz MXCIRWNOOCDCCO-CMPLNLGQSA-N 1 1 283.297 3.116 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000611608955 348463195 /nfs/dbraw/zinc/46/31/95/348463195.db2.gz DUHSXJQIDHEGAD-NSHDSACASA-N 1 1 260.328 3.020 20 30 CGEDMO C[N@H+](CCOc1ccc(Cl)cc1)CC(C)(C)C#N ZINC000611718023 348470529 /nfs/dbraw/zinc/47/05/29/348470529.db2.gz NFVQDSLFNNCTKO-UHFFFAOYSA-N 1 1 266.772 3.200 20 30 CGEDMO C[N@@H+](CCOc1ccc(Cl)cc1)CC(C)(C)C#N ZINC000611718023 348470531 /nfs/dbraw/zinc/47/05/31/348470531.db2.gz NFVQDSLFNNCTKO-UHFFFAOYSA-N 1 1 266.772 3.200 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612158086 348497644 /nfs/dbraw/zinc/49/76/44/348497644.db2.gz HKYPTLGMFGWHEK-CZUORRHYSA-N 1 1 253.349 3.245 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612158086 348497647 /nfs/dbraw/zinc/49/76/47/348497647.db2.gz HKYPTLGMFGWHEK-CZUORRHYSA-N 1 1 253.349 3.245 20 30 CGEDMO Cc1cc(C)cc(OCC[N@@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000612166501 348499423 /nfs/dbraw/zinc/49/94/23/348499423.db2.gz CSVRTPYOEARLLD-QGZVFWFLSA-N 1 1 272.392 3.308 20 30 CGEDMO Cc1cc(C)cc(OCC[N@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000612166501 348499427 /nfs/dbraw/zinc/49/94/27/348499427.db2.gz CSVRTPYOEARLLD-QGZVFWFLSA-N 1 1 272.392 3.308 20 30 CGEDMO C[N@H+]1CCC[C@H](CNc2nc(C(C)(C)C)ccc2C#N)C1 ZINC000613422823 348600057 /nfs/dbraw/zinc/60/00/57/348600057.db2.gz CUNBDCBAGMLQDP-CYBMUJFWSA-N 1 1 286.423 3.004 20 30 CGEDMO C[C@@H]1C[C@H](Nc2nc(C(C)(C)C)ccc2C#N)CC[N@H+]1C ZINC000613426138 348600554 /nfs/dbraw/zinc/60/05/54/348600554.db2.gz SHTFQUUQZYYMKG-TZMCWYRMSA-N 1 1 286.423 3.145 20 30 CGEDMO CN(CC[N@@H+](C)C1CC1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614185856 348656760 /nfs/dbraw/zinc/65/67/60/348656760.db2.gz AKEZXMKLALBMAI-UHFFFAOYSA-N 1 1 285.435 3.014 20 30 CGEDMO CN(CC[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1)C1CC1 ZINC000614185856 348656764 /nfs/dbraw/zinc/65/67/64/348656764.db2.gz AKEZXMKLALBMAI-UHFFFAOYSA-N 1 1 285.435 3.014 20 30 CGEDMO CN(CC[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1)C1CC1 ZINC000614185856 348656767 /nfs/dbraw/zinc/65/67/67/348656767.db2.gz AKEZXMKLALBMAI-UHFFFAOYSA-N 1 1 285.435 3.014 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCOCC3(CCCC3)C2)c1 ZINC000614253611 348662370 /nfs/dbraw/zinc/66/23/70/348662370.db2.gz WAIJOXKWQYBQTO-UHFFFAOYSA-N 1 1 276.405 3.012 20 30 CGEDMO CO[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000615231190 348725044 /nfs/dbraw/zinc/72/50/44/348725044.db2.gz BVRIHRHYFJXMHE-CQSZACIVSA-N 1 1 278.783 3.213 20 30 CGEDMO CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2C)C[C@H]1C ZINC000614402302 348674281 /nfs/dbraw/zinc/67/42/81/348674281.db2.gz RBOOHSBEHIPKJV-CRAIPNDOSA-N 1 1 285.435 3.171 20 30 CGEDMO CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2C)C[C@H]1C ZINC000614402302 348674282 /nfs/dbraw/zinc/67/42/82/348674282.db2.gz RBOOHSBEHIPKJV-CRAIPNDOSA-N 1 1 285.435 3.171 20 30 CGEDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2C)C[C@H]1C ZINC000614402302 348674285 /nfs/dbraw/zinc/67/42/85/348674285.db2.gz RBOOHSBEHIPKJV-CRAIPNDOSA-N 1 1 285.435 3.171 20 30 CGEDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2C)C[C@H]1C ZINC000614402302 348674288 /nfs/dbraw/zinc/67/42/88/348674288.db2.gz RBOOHSBEHIPKJV-CRAIPNDOSA-N 1 1 285.435 3.171 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[NH+]1CC2(C1)CC(F)(F)C2 ZINC000615444853 348740521 /nfs/dbraw/zinc/74/05/21/348740521.db2.gz HRAGTIJODWFTOZ-LLVKDONJSA-N 1 1 262.303 3.350 20 30 CGEDMO Cc1nc2ccc(C[NH2+]CC(C)(C)C#N)cc2s1 ZINC000617315664 348944447 /nfs/dbraw/zinc/94/44/47/348944447.db2.gz XWCIJCADUGDXOY-UHFFFAOYSA-N 1 1 259.378 3.244 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000618655802 349135461 /nfs/dbraw/zinc/13/54/61/349135461.db2.gz KTASOKRDJPDLPB-AWEZNQCLSA-N 1 1 278.440 3.112 20 30 CGEDMO Cc1cc(N[C@H]2CCc3cc(C#N)ccc32)nc(C)[nH+]1 ZINC000618693795 349145448 /nfs/dbraw/zinc/14/54/48/349145448.db2.gz POPUMYHLCDKWBR-HNNXBMFYSA-N 1 1 264.332 3.065 20 30 CGEDMO CSc1ccccc1C[N@H+](C)Cc1ccnc(C#N)c1 ZINC000619291803 349227659 /nfs/dbraw/zinc/22/76/59/349227659.db2.gz UNIXNIGJEMVDQV-UHFFFAOYSA-N 1 1 283.400 3.307 20 30 CGEDMO CSc1ccccc1C[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000619291803 349227661 /nfs/dbraw/zinc/22/76/61/349227661.db2.gz UNIXNIGJEMVDQV-UHFFFAOYSA-N 1 1 283.400 3.307 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000625700677 350198824 /nfs/dbraw/zinc/19/88/24/350198824.db2.gz DXTXSEPUJAAEQG-HZPDHXFCSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](C[C@H](O)[C@@H](C)c2ccccc2)C1 ZINC000625700660 350198934 /nfs/dbraw/zinc/19/89/34/350198934.db2.gz DPHKSHHSOQTEIP-UXLLHSPISA-N 1 1 259.393 3.049 20 30 CGEDMO C=CC[C@H]1CC[N@H+](C[C@H]2CCCCN2C(C)C)C1 ZINC000625701890 350199864 /nfs/dbraw/zinc/19/98/64/350199864.db2.gz LYCUTKSZKPQBTH-JKSUJKDBSA-N 1 1 250.430 3.147 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000625705655 350201152 /nfs/dbraw/zinc/20/11/52/350201152.db2.gz WYXILKQIJFRGRB-HNNXBMFYSA-N 1 1 267.376 3.270 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000628407119 350530818 /nfs/dbraw/zinc/53/08/18/350530818.db2.gz ZDXYGOSOKUGDMG-MAUKXSAKSA-N 1 1 287.403 3.252 20 30 CGEDMO N#Cc1ccc(C[N@@H+](Cc2ccncc2)C2CC2)cc1 ZINC000122275298 187024115 /nfs/dbraw/zinc/02/41/15/187024115.db2.gz OETFDOZZDOPPTO-UHFFFAOYSA-N 1 1 263.344 3.118 20 30 CGEDMO C=CC[N@H+](C[C@@H](O)c1ccccc1Cl)C1CC1 ZINC000271472953 191159383 /nfs/dbraw/zinc/15/93/83/191159383.db2.gz RNJKMKBRLKBWKM-CQSZACIVSA-N 1 1 251.757 3.024 20 30 CGEDMO C=C(Cl)CN[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000271560709 191212366 /nfs/dbraw/zinc/21/23/66/191212366.db2.gz XLYBHUJTLNOCRK-CYBMUJFWSA-N 1 1 282.815 3.030 20 30 CGEDMO C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCCc3c[nH]nc32)cc1 ZINC000271556199 191210543 /nfs/dbraw/zinc/21/05/43/191210543.db2.gz VTRFYSLTUWPIKX-GUYCJALGSA-N 1 1 295.386 3.150 20 30 CGEDMO COc1ccc(C[N@H+](C)Cc2occc2C)cc1C#N ZINC000292388575 198269841 /nfs/dbraw/zinc/26/98/41/198269841.db2.gz RZTNOFKWHICGOF-UHFFFAOYSA-N 1 1 270.332 3.100 20 30 CGEDMO COc1ccc(C[N@@H+](C)Cc2occc2C)cc1C#N ZINC000292388575 198269843 /nfs/dbraw/zinc/26/98/43/198269843.db2.gz RZTNOFKWHICGOF-UHFFFAOYSA-N 1 1 270.332 3.100 20 30 CGEDMO COc1cc(C[N@@H+](C)[C@H](C)c2ccc(C#N)cc2)ccc1O ZINC000156834360 188283931 /nfs/dbraw/zinc/28/39/31/188283931.db2.gz FLSLNZOORPCTDR-CYBMUJFWSA-N 1 1 296.370 3.465 20 30 CGEDMO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]C[C@H](C#N)CCC#N ZINC000157638678 188329777 /nfs/dbraw/zinc/32/97/77/188329777.db2.gz AKDRKFPCHCLBLH-OCCSQVGLSA-N 1 1 287.411 3.041 20 30 CGEDMO C[C@@H]1C[N@H+](CCC(C)(C)C#N)C[C@H](c2ccccc2)O1 ZINC000157803080 188339372 /nfs/dbraw/zinc/33/93/72/188339372.db2.gz BIPKMCFZKPRONX-GDBMZVCRSA-N 1 1 272.392 3.388 20 30 CGEDMO C[C@@H]1C[N@@H+](CCC(C)(C)C#N)C[C@H](c2ccccc2)O1 ZINC000157803080 188339374 /nfs/dbraw/zinc/33/93/74/188339374.db2.gz BIPKMCFZKPRONX-GDBMZVCRSA-N 1 1 272.392 3.388 20 30 CGEDMO COCC[C@@H]1CCCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000372090013 234544293 /nfs/dbraw/zinc/54/42/93/234544293.db2.gz YNHHZOIVTXFUDE-HNNXBMFYSA-N 1 1 272.392 3.197 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CC[C@H](c3ccccc3)C2)n1 ZINC000336400009 213257061 /nfs/dbraw/zinc/25/70/61/213257061.db2.gz BBLPYYOGEZIARH-ZDUSSCGKSA-N 1 1 269.373 3.004 20 30 CGEDMO N#Cc1csc(C[N@H+]2CC[C@H](c3ccccc3)C2)n1 ZINC000336400009 213257063 /nfs/dbraw/zinc/25/70/63/213257063.db2.gz BBLPYYOGEZIARH-ZDUSSCGKSA-N 1 1 269.373 3.004 20 30 CGEDMO C=C(Br)C[NH2+]C1(c2cccc(OC)c2)CC1 ZINC000271737115 191298703 /nfs/dbraw/zinc/29/87/03/191298703.db2.gz URNFMAMLYAKGHW-UHFFFAOYSA-N 1 1 282.181 3.183 20 30 CGEDMO Cc1nc(C[NH2+]C2(c3cccc(C#N)c3)CC2)sc1C ZINC000271763395 191310959 /nfs/dbraw/zinc/31/09/59/191310959.db2.gz IGOUVKLREWRXDY-UHFFFAOYSA-N 1 1 283.400 3.411 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2Cc3ccccc3C3(CC3)C2)C1 ZINC000336573654 283058176 /nfs/dbraw/zinc/05/81/76/283058176.db2.gz VCKBYBNXNXQKGP-UKRRQHHQSA-N 1 1 252.361 3.226 20 30 CGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC(C)(C)C[C@@H]1C ZINC000412018651 235103867 /nfs/dbraw/zinc/10/38/67/235103867.db2.gz CAMFHAFWNDYLQX-QWHCGFSZSA-N 1 1 285.391 3.006 20 30 CGEDMO C[C@H]1CC(C)(C)C[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000412033188 235108927 /nfs/dbraw/zinc/10/89/27/235108927.db2.gz CQBGIYLHVJJOMB-LBPRGKRZSA-N 1 1 296.374 3.229 20 30 CGEDMO C[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1cccc(C#N)c1 ZINC000271885168 191388902 /nfs/dbraw/zinc/38/89/02/191388902.db2.gz QMJZLSYTEUJDRN-XHDPSFHLSA-N 1 1 266.348 3.010 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000335235312 283214521 /nfs/dbraw/zinc/21/45/21/283214521.db2.gz SUCDXGJJOFUWLK-SFHVURJKSA-N 1 1 296.414 3.339 20 30 CGEDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000124611013 138376436 /nfs/dbraw/zinc/37/64/36/138376436.db2.gz JLLRRFVEUQJWDN-WFASDCNBSA-N 1 1 258.365 3.330 20 30 CGEDMO N#Cc1csc(C[NH2+][C@H]2C[C@]2(F)c2ccccc2)c1 ZINC000424190284 236131285 /nfs/dbraw/zinc/13/12/85/236131285.db2.gz FTFMMTAJSJEOKK-GJZGRUSLSA-N 1 1 272.348 3.347 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000245558619 138521413 /nfs/dbraw/zinc/52/14/13/138521413.db2.gz VSDVEPABKJFIOH-XYPHTWIQSA-N 1 1 272.392 3.102 20 30 CGEDMO Cc1cccc(NCCNc2ccc(C#N)c(Cl)c2)[nH+]1 ZINC000427415180 236330552 /nfs/dbraw/zinc/33/05/52/236330552.db2.gz PBIBRIMHNLFYGF-UHFFFAOYSA-N 1 1 286.766 3.439 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(C)c2)CC1(C)C ZINC000336208793 213030797 /nfs/dbraw/zinc/03/07/97/213030797.db2.gz HYRIAOHQNWCPDY-MRXNPFEDSA-N 1 1 272.392 3.114 20 30 CGEDMO C[C@@H]([NH2+]Cc1cn2ccccc2n1)c1cccc(C#N)c1 ZINC000341775245 216099525 /nfs/dbraw/zinc/09/95/25/216099525.db2.gz IKSARQNCUKKGGB-CYBMUJFWSA-N 1 1 276.343 3.057 20 30 CGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2cc(C#N)ccn2)C1 ZINC000341825212 216117645 /nfs/dbraw/zinc/11/76/45/216117645.db2.gz PUOUSBUHYAFWCC-RHSMWYFYSA-N 1 1 292.386 3.201 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@@H]2CCCc3occc32)c(F)c1 ZINC000178782061 189146002 /nfs/dbraw/zinc/14/60/02/189146002.db2.gz YGBUVJFTLXZEBF-OAHLLOKOSA-N 1 1 270.307 3.458 20 30 CGEDMO CO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)c(F)c2)C12CCC2 ZINC000451829901 240367522 /nfs/dbraw/zinc/36/75/22/240367522.db2.gz BSLLUGJEIPTUIL-HOTGVXAUSA-N 1 1 288.366 3.087 20 30 CGEDMO CC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)CC1CC1 ZINC000180149000 189240036 /nfs/dbraw/zinc/24/00/36/189240036.db2.gz WKAFUJIKARBEBN-UHFFFAOYSA-N 1 1 294.402 3.191 20 30 CGEDMO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180254602 189246999 /nfs/dbraw/zinc/24/69/99/189246999.db2.gz GGXJWECEFBFQHX-UONOGXRCSA-N 1 1 294.402 3.189 20 30 CGEDMO CC[C@H](CN[C@H](C)c1cccc(C#N)c1)[NH+]1CCCC1 ZINC000181477189 189298182 /nfs/dbraw/zinc/29/81/82/189298182.db2.gz XJZFWVLKENKGHE-RHSMWYFYSA-N 1 1 271.408 3.083 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)c1 ZINC000181536898 189299930 /nfs/dbraw/zinc/29/99/30/189299930.db2.gz ZBTPLFCMTRGMBB-IBGZPJMESA-N 1 1 292.382 3.002 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)c1 ZINC000181536898 189299931 /nfs/dbraw/zinc/29/99/31/189299931.db2.gz ZBTPLFCMTRGMBB-IBGZPJMESA-N 1 1 292.382 3.002 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H](CNc2ccc(Cl)c(C#N)n2)C1 ZINC000301529071 201050286 /nfs/dbraw/zinc/05/02/86/201050286.db2.gz ONHXOHZYCWZZBW-GFCCVEGCSA-N 1 1 292.814 3.139 20 30 CGEDMO N#Cc1ccc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000301522582 201046173 /nfs/dbraw/zinc/04/61/73/201046173.db2.gz OAOSPYXTNUXJHG-GOSISDBHSA-N 1 1 292.386 3.030 20 30 CGEDMO Cc1[nH+]ccn1CCCCNc1nccc(C#N)c1Cl ZINC000342371983 216327852 /nfs/dbraw/zinc/32/78/52/216327852.db2.gz RDTPCMGGMSNJDQ-UHFFFAOYSA-N 1 1 289.770 3.004 20 30 CGEDMO C[C@H](CCN[C@H](C)c1cccc(C#N)c1)[NH+]1CCCCC1 ZINC000184505529 189387563 /nfs/dbraw/zinc/38/75/63/189387563.db2.gz CODLVHWZFUSXDM-HZPDHXFCSA-N 1 1 285.435 3.473 20 30 CGEDMO C=CC[N@@H+](CC(=O)OCC)C[C@H](C)CC(C)(C)C ZINC000709117049 800003821 /nfs/dbraw/zinc/00/38/21/800003821.db2.gz YAEQGDFFDCKMCW-CYBMUJFWSA-N 1 1 255.402 3.110 20 30 CGEDMO C=CC[N@H+](CC(=O)OCC)C[C@H](C)CC(C)(C)C ZINC000709117049 800003825 /nfs/dbraw/zinc/00/38/25/800003825.db2.gz YAEQGDFFDCKMCW-CYBMUJFWSA-N 1 1 255.402 3.110 20 30 CGEDMO C[C@H]1CCCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000187951410 189483432 /nfs/dbraw/zinc/48/34/32/189483432.db2.gz MEYMQFYQTFEAIP-LBPRGKRZSA-N 1 1 291.420 3.070 20 30 CGEDMO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)CCC(C)(C)C#N ZINC000119999285 370730451 /nfs/dbraw/zinc/73/04/51/370730451.db2.gz KBWICVHXMGKLNA-BBRMVZONSA-N 1 1 272.392 3.250 20 30 CGEDMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCC(C)(C)C#N ZINC000119907161 370722134 /nfs/dbraw/zinc/72/21/34/370722134.db2.gz AQBMIFDLJCXBMB-GDBMZVCRSA-N 1 1 272.392 3.388 20 30 CGEDMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCC(C)(C)C#N ZINC000119907161 370722138 /nfs/dbraw/zinc/72/21/38/370722138.db2.gz AQBMIFDLJCXBMB-GDBMZVCRSA-N 1 1 272.392 3.388 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000335673286 212392520 /nfs/dbraw/zinc/39/25/20/212392520.db2.gz FCMWVWHHSYAERL-LLVKDONJSA-N 1 1 280.318 3.044 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000335673286 212392521 /nfs/dbraw/zinc/39/25/21/212392521.db2.gz FCMWVWHHSYAERL-LLVKDONJSA-N 1 1 280.318 3.044 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@]3(CCSC3)C2)cc1 ZINC000335579920 212291323 /nfs/dbraw/zinc/29/13/23/212291323.db2.gz LWSMYGHSSCBVGU-MRXNPFEDSA-N 1 1 272.417 3.277 20 30 CGEDMO C=CCC[C@@H](C(=O)NCC1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000275386609 193019034 /nfs/dbraw/zinc/01/90/34/193019034.db2.gz YBFJJRQWKAYWFM-GOSISDBHSA-N 1 1 298.430 3.115 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000120881953 370810587 /nfs/dbraw/zinc/81/05/87/370810587.db2.gz ZQOQFRGVQUSDPB-TZMCWYRMSA-N 1 1 251.395 3.476 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc(F)c(C#N)c1)C1CCOCC1 ZINC000121411752 370858169 /nfs/dbraw/zinc/85/81/69/370858169.db2.gz KUIYJAJDFMLXSD-UHFFFAOYSA-N 1 1 276.355 3.087 20 30 CGEDMO CC[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1CCCC1 ZINC000459308754 242063757 /nfs/dbraw/zinc/06/37/57/242063757.db2.gz UCPPUOJLKIMKMC-UHFFFAOYSA-N 1 1 273.336 3.231 20 30 CGEDMO CC[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1CCCC1 ZINC000459308754 242063760 /nfs/dbraw/zinc/06/37/60/242063760.db2.gz UCPPUOJLKIMKMC-UHFFFAOYSA-N 1 1 273.336 3.231 20 30 CGEDMO C=CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000121598865 370876527 /nfs/dbraw/zinc/87/65/27/370876527.db2.gz FWPPCBRPRMSQGG-SNVBAGLBSA-N 1 1 286.297 3.150 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000121598865 370876536 /nfs/dbraw/zinc/87/65/36/370876536.db2.gz FWPPCBRPRMSQGG-SNVBAGLBSA-N 1 1 286.297 3.150 20 30 CGEDMO C=C[C@H](CC(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccccc1 ZINC000124205843 370921993 /nfs/dbraw/zinc/92/19/93/370921993.db2.gz GWUADPXWYUGVJE-INMHGKMJSA-N 1 1 298.430 3.088 20 30 CGEDMO CCCC[N@@H+](CC)CCC(=O)Nc1cccc(C#N)c1 ZINC000019846844 368772921 /nfs/dbraw/zinc/77/29/21/368772921.db2.gz UPASJOVAFCEBHQ-UHFFFAOYSA-N 1 1 273.380 3.009 20 30 CGEDMO C[C@@H]1CCC[C@H]([N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000026468497 368859604 /nfs/dbraw/zinc/85/96/04/368859604.db2.gz MAQGNGTVHUTXTJ-CJNGLKHVSA-N 1 1 285.391 3.007 20 30 CGEDMO N#Cc1cccc(C[NH2+]Cc2cccc(F)c2F)c1 ZINC000037749329 369104888 /nfs/dbraw/zinc/10/48/88/369104888.db2.gz DSQAFASGAAVAQZ-UHFFFAOYSA-N 1 1 258.271 3.126 20 30 CGEDMO COc1cccc(C[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC000042267113 369209207 /nfs/dbraw/zinc/20/92/07/369209207.db2.gz SUPHRNMRHAJIKD-UHFFFAOYSA-N 1 1 266.344 3.199 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCOc2cccc(C#N)c2)[C@@H]1C ZINC000050564762 369441075 /nfs/dbraw/zinc/44/10/75/369441075.db2.gz HGCOIQWQRPWZFN-ZIAGYGMSSA-N 1 1 258.365 3.057 20 30 CGEDMO C#CC[N@@H+](Cc1cnn(CC)c1)[C@@H]1CCc2ccccc21 ZINC000127530283 370952820 /nfs/dbraw/zinc/95/28/20/370952820.db2.gz ONGKFIQMPASNNH-GOSISDBHSA-N 1 1 279.387 3.026 20 30 CGEDMO C#CC[N@H+](Cc1cnn(CC)c1)[C@@H]1CCc2ccccc21 ZINC000127530283 370952827 /nfs/dbraw/zinc/95/28/27/370952827.db2.gz ONGKFIQMPASNNH-GOSISDBHSA-N 1 1 279.387 3.026 20 30 CGEDMO C[N@H+](CC#Cc1ccc(F)cc1)Cc1cccc(F)c1 ZINC000127658627 370954456 /nfs/dbraw/zinc/95/44/56/370954456.db2.gz QHAWHWPCXGMCAM-UHFFFAOYSA-N 1 1 271.310 3.448 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(F)cc1)Cc1cccc(F)c1 ZINC000127658627 370954461 /nfs/dbraw/zinc/95/44/61/370954461.db2.gz QHAWHWPCXGMCAM-UHFFFAOYSA-N 1 1 271.310 3.448 20 30 CGEDMO CCS[C@H](C)c1noc(C[N@H+](C)CCCCC#N)n1 ZINC000128054897 370958810 /nfs/dbraw/zinc/95/88/10/370958810.db2.gz QURVAJPNEOXXPI-LLVKDONJSA-N 1 1 282.413 3.009 20 30 CGEDMO CCS[C@H](C)c1noc(C[N@@H+](C)CCCCC#N)n1 ZINC000128054897 370958814 /nfs/dbraw/zinc/95/88/14/370958814.db2.gz QURVAJPNEOXXPI-LLVKDONJSA-N 1 1 282.413 3.009 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000276464975 193342297 /nfs/dbraw/zinc/34/22/97/193342297.db2.gz QZLIEOYBOYRPBN-LBPRGKRZSA-N 1 1 280.799 3.483 20 30 CGEDMO C=C(C)C[N@@H+](CC)C[C@H](O)COCc1ccccc1Cl ZINC000068045791 369738481 /nfs/dbraw/zinc/73/84/81/369738481.db2.gz PIPXHOFTFJVFLL-HNNXBMFYSA-N 1 1 297.826 3.116 20 30 CGEDMO CC(C)n1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)n1 ZINC000069988570 369776169 /nfs/dbraw/zinc/77/61/69/369776169.db2.gz PXLXSPQYPWFJMZ-ZDUSSCGKSA-N 1 1 268.364 3.186 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000075616636 369916138 /nfs/dbraw/zinc/91/61/38/369916138.db2.gz SMLHPVVEGUOIMH-BETUJISGSA-N 1 1 296.374 3.086 20 30 CGEDMO C[C@H](c1ccc(Cl)cc1)N1CC[NH+](CCCC#N)CC1 ZINC000075863181 369919485 /nfs/dbraw/zinc/91/94/85/369919485.db2.gz AMIBLTRGFJMBCG-CQSZACIVSA-N 1 1 291.826 3.322 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000076109704 369930778 /nfs/dbraw/zinc/93/07/78/369930778.db2.gz SNQJYVVYFPMINW-KRWDZBQOSA-N 1 1 258.409 3.016 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000076109704 369930780 /nfs/dbraw/zinc/93/07/80/369930780.db2.gz SNQJYVVYFPMINW-KRWDZBQOSA-N 1 1 258.409 3.016 20 30 CGEDMO C=C(C)CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109704 369930782 /nfs/dbraw/zinc/93/07/82/369930782.db2.gz SNQJYVVYFPMINW-KRWDZBQOSA-N 1 1 258.409 3.016 20 30 CGEDMO C=C(C)CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109704 369930786 /nfs/dbraw/zinc/93/07/86/369930786.db2.gz SNQJYVVYFPMINW-KRWDZBQOSA-N 1 1 258.409 3.016 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)NCc1ccccc1Cl ZINC000076735304 369941375 /nfs/dbraw/zinc/94/13/75/369941375.db2.gz YEBNNNCJYJNTMJ-CYBMUJFWSA-N 1 1 294.826 3.243 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)N(C)Cc1ccccc1C ZINC000076734405 369941951 /nfs/dbraw/zinc/94/19/51/369941951.db2.gz RJEQQAPALCACNX-INIZCTEOSA-N 1 1 288.435 3.240 20 30 CGEDMO C=CCOc1ccc(C[N@H+](CC)C[C@@H](C)C#N)cc1OC ZINC000091983428 370085352 /nfs/dbraw/zinc/08/53/52/370085352.db2.gz QTAZVPXALMOREP-AWEZNQCLSA-N 1 1 288.391 3.242 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](CC)C[C@@H](C)C#N)cc1OC ZINC000091983428 370085355 /nfs/dbraw/zinc/08/53/55/370085355.db2.gz QTAZVPXALMOREP-AWEZNQCLSA-N 1 1 288.391 3.242 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1F)CC1=CCCOC1 ZINC000092404653 370096059 /nfs/dbraw/zinc/09/60/59/370096059.db2.gz FIVSKHJHCHZSRD-UHFFFAOYSA-N 1 1 261.340 3.160 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1F)CC1=CCCOC1 ZINC000092404653 370096065 /nfs/dbraw/zinc/09/60/65/370096065.db2.gz FIVSKHJHCHZSRD-UHFFFAOYSA-N 1 1 261.340 3.160 20 30 CGEDMO CC(C)C[C@@H]1COCC[N@H+]1CC(C)(C)CCC#N ZINC000093340381 370118913 /nfs/dbraw/zinc/11/89/13/370118913.db2.gz QULJULPSKCTDAQ-CQSZACIVSA-N 1 1 252.402 3.063 20 30 CGEDMO C=C(C)CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103229280 370321217 /nfs/dbraw/zinc/32/12/17/370321217.db2.gz LRTCDRSGGZSASK-MRXNPFEDSA-N 1 1 250.430 3.151 20 30 CGEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000112556638 370434910 /nfs/dbraw/zinc/43/49/10/370434910.db2.gz RQOBCECAUCBRMV-SFHVURJKSA-N 1 1 292.382 3.182 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2F)C[C@H](C)S1 ZINC000219523847 376201655 /nfs/dbraw/zinc/20/16/55/376201655.db2.gz JGUYIQAZWDAACP-PHIMTYICSA-N 1 1 264.369 3.023 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2F)C[C@H](C)S1 ZINC000219523847 376201662 /nfs/dbraw/zinc/20/16/62/376201662.db2.gz JGUYIQAZWDAACP-PHIMTYICSA-N 1 1 264.369 3.023 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000130184697 371017287 /nfs/dbraw/zinc/01/72/87/371017287.db2.gz GMPIOTGGQUNYKF-NVXWUHKLSA-N 1 1 261.409 3.185 20 30 CGEDMO C[N@@H+](CCc1cccs1)Cc1ccc(C#N)s1 ZINC000131241556 371092697 /nfs/dbraw/zinc/09/26/97/371092697.db2.gz RBDBKCZROFLCLZ-UHFFFAOYSA-N 1 1 262.403 3.356 20 30 CGEDMO C=CCOc1ccc(C[N@H+](CCCO)C(C)(C)C)cc1 ZINC000131843130 371133149 /nfs/dbraw/zinc/13/31/49/371133149.db2.gz CJWPAKPZCDXDFM-UHFFFAOYSA-N 1 1 277.408 3.234 20 30 CGEDMO CCCOc1ccc2c(c1)CC[N@H+](CCCC#N)C2 ZINC000134524330 371345928 /nfs/dbraw/zinc/34/59/28/371345928.db2.gz AIVFQPGSEPZWBF-UHFFFAOYSA-N 1 1 258.365 3.137 20 30 CGEDMO CSC[C@@H]1CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000135445189 371427030 /nfs/dbraw/zinc/42/70/30/371427030.db2.gz COGYBGHZZMTMIG-ZDUSSCGKSA-N 1 1 264.369 3.025 20 30 CGEDMO CSC[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000135459505 371429534 /nfs/dbraw/zinc/42/95/34/371429534.db2.gz SOTCBJHBXMNBDB-CQSZACIVSA-N 1 1 264.369 3.025 20 30 CGEDMO CSC[C@H]1CCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000135459505 371429535 /nfs/dbraw/zinc/42/95/35/371429535.db2.gz SOTCBJHBXMNBDB-CQSZACIVSA-N 1 1 264.369 3.025 20 30 CGEDMO N#Cc1cccc(C[NH2+]Cc2cc(F)c(F)cc2F)c1 ZINC000135866932 371451416 /nfs/dbraw/zinc/45/14/16/371451416.db2.gz QTIFDLQQKZMBBA-UHFFFAOYSA-N 1 1 276.261 3.265 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000151008419 371557294 /nfs/dbraw/zinc/55/72/94/371557294.db2.gz CCUVWOMZEXYKHN-QGZVFWFLSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@H+](C)Cc1cc(Br)cc2c1OCC2 ZINC000154787800 371879122 /nfs/dbraw/zinc/87/91/22/371879122.db2.gz VSAFIXFOCAADPV-UHFFFAOYSA-N 1 1 282.181 3.002 20 30 CGEDMO CC1(C)C[N@H+](Cc2ccc(C#N)cc2F)[C@H]1[C@@H]1CCCO1 ZINC000289871501 371842821 /nfs/dbraw/zinc/84/28/21/371842821.db2.gz RFTZASXMPASIOX-HOTGVXAUSA-N 1 1 288.366 3.087 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2F)[C@H]1[C@@H]1CCCO1 ZINC000289871501 371842828 /nfs/dbraw/zinc/84/28/28/371842828.db2.gz RFTZASXMPASIOX-HOTGVXAUSA-N 1 1 288.366 3.087 20 30 CGEDMO CCCC[C@H](C)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000290097722 371902745 /nfs/dbraw/zinc/90/27/45/371902745.db2.gz ZZHZROLLKBHOOK-BBRMVZONSA-N 1 1 260.381 3.102 20 30 CGEDMO C[N@H+](CC#Cc1ccc(F)cc1)CCOCc1ccccc1 ZINC000156827586 371997631 /nfs/dbraw/zinc/99/76/31/371997631.db2.gz DMDRLFYWGOAZJD-UHFFFAOYSA-N 1 1 297.373 3.326 20 30 CGEDMO CC(C)CO[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000156930101 372000938 /nfs/dbraw/zinc/00/09/38/372000938.db2.gz AGBQTBGTXLOEDE-KRWDZBQOSA-N 1 1 291.822 3.438 20 30 CGEDMO C[C@H](c1cccs1)[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000157818908 372038513 /nfs/dbraw/zinc/03/85/13/372038513.db2.gz JSQCCNKNXSAFIF-GFCCVEGCSA-N 1 1 296.399 3.460 20 30 CGEDMO C[C@@H]1C[C@@H](Nc2c(C#N)cnc3ccccc32)C[N@H+]1C1CC1 ZINC000290529778 372011291 /nfs/dbraw/zinc/01/12/91/372011291.db2.gz DBSHZMABSFRPRV-TZMCWYRMSA-N 1 1 292.386 3.144 20 30 CGEDMO CCCC[N@@H+]1CCCC[C@@H]1CNCc1cc(C#N)cs1 ZINC000344186202 217089754 /nfs/dbraw/zinc/08/97/54/217089754.db2.gz CXMKWZPHDZKWOH-OAHLLOKOSA-N 1 1 291.464 3.364 20 30 CGEDMO CCCC[N@H+]1CCCC[C@@H]1CNCc1cc(C#N)cs1 ZINC000344186202 217089757 /nfs/dbraw/zinc/08/97/57/217089757.db2.gz CXMKWZPHDZKWOH-OAHLLOKOSA-N 1 1 291.464 3.364 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)s1 ZINC000290894332 372071804 /nfs/dbraw/zinc/07/18/04/372071804.db2.gz LQVOYOKOGXABLF-GJZGRUSLSA-N 1 1 288.416 3.153 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)s1 ZINC000290894332 372071812 /nfs/dbraw/zinc/07/18/12/372071812.db2.gz LQVOYOKOGXABLF-GJZGRUSLSA-N 1 1 288.416 3.153 20 30 CGEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000158941780 372092460 /nfs/dbraw/zinc/09/24/60/372092460.db2.gz ZDSMWRNJPIFSBI-HNNXBMFYSA-N 1 1 271.408 3.411 20 30 CGEDMO C=CCN1CC[C@@H]([N@@H+]2CC(C)(C)C[C@H]2c2ccccc2)C1=O ZINC000425545256 372132708 /nfs/dbraw/zinc/13/27/08/372132708.db2.gz RUDWEPAHQUUJTN-SJORKVTESA-N 1 1 298.430 3.247 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc2nc(C)sc2c1 ZINC000426363303 372153585 /nfs/dbraw/zinc/15/35/85/372153585.db2.gz VKKSQZNKWUDKCU-LBPRGKRZSA-N 1 1 259.378 3.387 20 30 CGEDMO C=CC[N@@H+](Cc1nnc(C(C)C)[nH]1)CC1CCCCC1 ZINC000428247296 372182594 /nfs/dbraw/zinc/18/25/94/372182594.db2.gz UCSCDCGKRTVVRR-UHFFFAOYSA-N 1 1 276.428 3.496 20 30 CGEDMO C=CC[N@H+](Cc1nnc(C(C)C)[nH]1)CC1CCCCC1 ZINC000428247296 372182597 /nfs/dbraw/zinc/18/25/97/372182597.db2.gz UCSCDCGKRTVVRR-UHFFFAOYSA-N 1 1 276.428 3.496 20 30 CGEDMO CC(C)(C)OC(=O)CC[C@@H]1CCCC[N@H+]1CCCC#N ZINC000425473028 372128216 /nfs/dbraw/zinc/12/82/16/372128216.db2.gz JTIFLTWMJMEQEH-AWEZNQCLSA-N 1 1 280.412 3.267 20 30 CGEDMO CC[C@@]1(C)CC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000344241017 217112506 /nfs/dbraw/zinc/11/25/06/217112506.db2.gz RRFTYHAPPVBPTK-INIZCTEOSA-N 1 1 258.365 3.059 20 30 CGEDMO CCC[N@@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCCO1 ZINC000160212466 372225885 /nfs/dbraw/zinc/22/58/85/372225885.db2.gz KVNKFUNFJBCQJH-QGZVFWFLSA-N 1 1 290.382 3.478 20 30 CGEDMO CCC[N@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCCCO1 ZINC000160212466 372225891 /nfs/dbraw/zinc/22/58/91/372225891.db2.gz KVNKFUNFJBCQJH-QGZVFWFLSA-N 1 1 290.382 3.478 20 30 CGEDMO COc1ccccc1CC[N@H+](C)Cc1cc(F)ccc1C#N ZINC000159831797 372185518 /nfs/dbraw/zinc/18/55/18/372185518.db2.gz NMTXASAHSFRRKC-UHFFFAOYSA-N 1 1 298.361 3.380 20 30 CGEDMO COc1ccccc1CC[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000159831797 372185522 /nfs/dbraw/zinc/18/55/22/372185522.db2.gz NMTXASAHSFRRKC-UHFFFAOYSA-N 1 1 298.361 3.380 20 30 CGEDMO C[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)CCS1 ZINC000159844425 372187243 /nfs/dbraw/zinc/18/72/43/372187243.db2.gz AAXUZUKVXJFLFH-GFCCVEGCSA-N 1 1 265.809 3.129 20 30 CGEDMO C[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)CCS1 ZINC000159844425 372187250 /nfs/dbraw/zinc/18/72/50/372187250.db2.gz AAXUZUKVXJFLFH-GFCCVEGCSA-N 1 1 265.809 3.129 20 30 CGEDMO COc1ccc(C[N@@H+](C)CC(C)(C)CCC#N)cc1 ZINC000159875354 372191084 /nfs/dbraw/zinc/19/10/84/372191084.db2.gz WACRMXFRNKKBJV-UHFFFAOYSA-N 1 1 260.381 3.457 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CCN1CCc2ccccc21 ZINC000428984305 372296024 /nfs/dbraw/zinc/29/60/24/372296024.db2.gz HOFTZAZUEKRLCH-MRXNPFEDSA-N 1 1 256.393 3.090 20 30 CGEDMO CC[C@H](C)C[N@H+](CC)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000160541927 372256615 /nfs/dbraw/zinc/25/66/15/372256615.db2.gz YLRNDCLELVPQOH-BBRMVZONSA-N 1 1 288.391 3.140 20 30 CGEDMO CC[C@H](C)C[N@@H+](CC)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000160541927 372256623 /nfs/dbraw/zinc/25/66/23/372256623.db2.gz YLRNDCLELVPQOH-BBRMVZONSA-N 1 1 288.391 3.140 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428810568 372265828 /nfs/dbraw/zinc/26/58/28/372265828.db2.gz YKWVTRSESMLJMB-GDBMZVCRSA-N 1 1 285.391 3.151 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)o1)Cc1ccc(Cl)cc1 ZINC000160808186 372277992 /nfs/dbraw/zinc/27/79/92/372277992.db2.gz KAMPRSXOTWFAQS-UHFFFAOYSA-N 1 1 260.724 3.437 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)o1)Cc1ccc(Cl)cc1 ZINC000160808186 372277994 /nfs/dbraw/zinc/27/79/94/372277994.db2.gz KAMPRSXOTWFAQS-UHFFFAOYSA-N 1 1 260.724 3.437 20 30 CGEDMO C[C@H]1C[N@H+](CC#Cc2ccc(F)cc2)Cc2ccccc2O1 ZINC000429140552 372317255 /nfs/dbraw/zinc/31/72/55/372317255.db2.gz YIFFQXOYCQFCGW-HNNXBMFYSA-N 1 1 295.357 3.460 20 30 CGEDMO C[C@H]1C[N@@H+](CC#Cc2ccc(F)cc2)Cc2ccccc2O1 ZINC000429140552 372317262 /nfs/dbraw/zinc/31/72/62/372317262.db2.gz YIFFQXOYCQFCGW-HNNXBMFYSA-N 1 1 295.357 3.460 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000429224318 372323954 /nfs/dbraw/zinc/32/39/54/372323954.db2.gz BBLJOWLYSYLIGP-GDBMZVCRSA-N 1 1 251.414 3.480 20 30 CGEDMO Cc1cc(CN2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)ccc1C#N ZINC000429009736 372303463 /nfs/dbraw/zinc/30/34/63/372303463.db2.gz OWSAKTFXFPBBCT-IDHHARJASA-N 1 1 297.446 3.029 20 30 CGEDMO CCS[C@@H]1CCCC[N@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000429677248 372375408 /nfs/dbraw/zinc/37/54/08/372375408.db2.gz AOAIWGKJQLWHEZ-MGPQQGTHSA-N 1 1 252.427 3.286 20 30 CGEDMO CCS[C@@H]1CCCC[N@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000429677245 372375859 /nfs/dbraw/zinc/37/58/59/372375859.db2.gz AOAIWGKJQLWHEZ-BFHYXJOUSA-N 1 1 252.427 3.286 20 30 CGEDMO C=CCN(C)CC[N@@H+](CC)CCCc1cccc(F)c1 ZINC000429699363 372377742 /nfs/dbraw/zinc/37/77/42/372377742.db2.gz FESHJIUKVHBWCO-UHFFFAOYSA-N 1 1 278.415 3.198 20 30 CGEDMO CC(C)(C)c1nc(C[NH2+]CC2(CC#N)CC2)cs1 ZINC000430021354 372381329 /nfs/dbraw/zinc/38/13/29/372381329.db2.gz LTHZDOXCGHKMNR-UHFFFAOYSA-N 1 1 263.410 3.224 20 30 CGEDMO C=CCOCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000293531003 372403275 /nfs/dbraw/zinc/40/32/75/372403275.db2.gz PLLBUGVHIKMCEQ-UHFFFAOYSA-N 1 1 278.352 3.008 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](C)Cc2conc2CC)c1 ZINC000293555334 372410134 /nfs/dbraw/zinc/41/01/34/372410134.db2.gz FLWSBADSJBMEID-UHFFFAOYSA-N 1 1 286.375 3.434 20 30 CGEDMO C=CCOc1cccc(C[N@H+](C)Cc2conc2CC)c1 ZINC000293555334 372410139 /nfs/dbraw/zinc/41/01/39/372410139.db2.gz FLWSBADSJBMEID-UHFFFAOYSA-N 1 1 286.375 3.434 20 30 CGEDMO C=CCC(C)(C)CNC(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000432071623 372533294 /nfs/dbraw/zinc/53/32/94/372533294.db2.gz KUXOYXSUSRBUEM-LSDHHAIUSA-N 1 1 295.471 3.008 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CC[C@@H](c2ccc(CC)cc2)C1 ZINC000433054418 372580723 /nfs/dbraw/zinc/58/07/23/372580723.db2.gz SROLQNXZPXUIER-QZTJIDSGSA-N 1 1 273.420 3.365 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000168918362 372623783 /nfs/dbraw/zinc/62/37/83/372623783.db2.gz MMMNUSYEGOEVAD-UHFFFAOYSA-N 1 1 274.261 3.484 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cccc(S(C)(=O)=O)c1 ZINC000294742066 372670009 /nfs/dbraw/zinc/67/00/09/372670009.db2.gz HOSZQOHKCRSMRH-UHFFFAOYSA-N 1 1 295.448 3.268 20 30 CGEDMO C=CCOc1ccc(C[N@H+](CCO)C2CCCCC2)cc1 ZINC000434977338 372720162 /nfs/dbraw/zinc/72/01/62/372720162.db2.gz HDPXCPDZERANRW-UHFFFAOYSA-N 1 1 289.419 3.378 20 30 CGEDMO N#Cc1ccc2ncc(C[N@@H+]3CC[C@@H]3c3ccccc3)n2c1 ZINC000434988198 372722254 /nfs/dbraw/zinc/72/22/54/372722254.db2.gz YTPGWNUKTJCKRM-QGZVFWFLSA-N 1 1 288.354 3.153 20 30 CGEDMO N#Cc1ccc2ncc(C[N@H+]3CC[C@@H]3c3ccccc3)n2c1 ZINC000434988198 372722261 /nfs/dbraw/zinc/72/22/61/372722261.db2.gz YTPGWNUKTJCKRM-QGZVFWFLSA-N 1 1 288.354 3.153 20 30 CGEDMO COCCCCC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000171500438 372775050 /nfs/dbraw/zinc/77/50/50/372775050.db2.gz BFXKKOIYOYEVHI-UHFFFAOYSA-N 1 1 272.392 3.339 20 30 CGEDMO Fc1ccc(C#CC[NH+]2CCC(C(F)F)CC2)cc1 ZINC000438620549 372970642 /nfs/dbraw/zinc/97/06/42/372970642.db2.gz PXZRZYHQTWWJJP-UHFFFAOYSA-N 1 1 267.294 3.154 20 30 CGEDMO CO[C@H](C)C[N@@H+](CC#Cc1ccccc1Cl)C(C)C ZINC000441167445 372998627 /nfs/dbraw/zinc/99/86/27/372998627.db2.gz MITLOPJFHDICDU-CQSZACIVSA-N 1 1 279.811 3.437 20 30 CGEDMO Clc1ccccc1C#CCN1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000441268619 373000171 /nfs/dbraw/zinc/00/01/71/373000171.db2.gz YHTZLGMFTDBMLG-HNNXBMFYSA-N 1 1 299.805 3.294 20 30 CGEDMO Clc1ccccc1C#CC[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000441268619 373000182 /nfs/dbraw/zinc/00/01/82/373000182.db2.gz YHTZLGMFTDBMLG-HNNXBMFYSA-N 1 1 299.805 3.294 20 30 CGEDMO Clc1ccccc1C#CC[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000441268619 373000192 /nfs/dbraw/zinc/00/01/92/373000192.db2.gz YHTZLGMFTDBMLG-HNNXBMFYSA-N 1 1 299.805 3.294 20 30 CGEDMO CCC[N@@H+](CC#Cc1ccc(F)cc1)C[C@@H]1CCCCO1 ZINC000440309283 372986079 /nfs/dbraw/zinc/98/60/79/372986079.db2.gz AMWDVMVGBBOCBE-SFHVURJKSA-N 1 1 289.394 3.458 20 30 CGEDMO C[C@H]1Cc2[nH+]cn(Cc3cc(F)ccc3C#N)c2C[C@@H]1C ZINC000296121046 373026545 /nfs/dbraw/zinc/02/65/45/373026545.db2.gz YLLVRSILMQNLMP-RYUDHWBXSA-N 1 1 283.350 3.313 20 30 CGEDMO C[C@H]([NH2+]C(C)(C)CN[C@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000442784291 373080181 /nfs/dbraw/zinc/08/01/81/373080181.db2.gz RWWHJYRVPYIHDO-UXLLHSPISA-N 1 1 285.435 3.398 20 30 CGEDMO COc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)ccc1C#N ZINC000442805209 373092223 /nfs/dbraw/zinc/09/22/23/373092223.db2.gz ZKOZTSBFIHKNJR-UHFFFAOYSA-N 1 1 291.354 3.071 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)CC1CC(F)(F)C1 ZINC000296666794 373213241 /nfs/dbraw/zinc/21/32/41/373213241.db2.gz YZAXDPHNRZVLRC-UHFFFAOYSA-N 1 1 250.292 3.035 20 30 CGEDMO CC(C)(C)[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)C[C@@H]1O ZINC000444675189 373229969 /nfs/dbraw/zinc/22/99/69/373229969.db2.gz MTOUXDHVPZXSHK-CABCVRRESA-N 1 1 280.456 3.435 20 30 CGEDMO C[C@@H]1CC[C@](CO)([N@@H+](C)CCCCC(C)(C)C#N)C1 ZINC000444687751 373236792 /nfs/dbraw/zinc/23/67/92/373236792.db2.gz WJRVANIYLQBMHW-ZBFHGGJFSA-N 1 1 266.429 3.189 20 30 CGEDMO CC[C@]1(C)C[N@@H+](CCCCC(C)(C)C#N)CCO1 ZINC000444688728 373237586 /nfs/dbraw/zinc/23/75/86/373237586.db2.gz KQHHWEAFGRGQTH-OAHLLOKOSA-N 1 1 252.402 3.207 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c1F ZINC000444721377 373251308 /nfs/dbraw/zinc/25/13/08/373251308.db2.gz WDUWPRFBAKFTBZ-JTQLQIEISA-N 1 1 286.272 3.472 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c1F ZINC000444721377 373251313 /nfs/dbraw/zinc/25/13/13/373251313.db2.gz WDUWPRFBAKFTBZ-JTQLQIEISA-N 1 1 286.272 3.472 20 30 CGEDMO CC(C)[C@H]1CCC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000444769002 373265442 /nfs/dbraw/zinc/26/54/42/373265442.db2.gz GYYQXQHGBBNIII-INIZCTEOSA-N 1 1 272.392 3.305 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H](C(C)C)C1 ZINC000444773913 373269906 /nfs/dbraw/zinc/26/99/06/373269906.db2.gz UALXRFKYHCSWMZ-HNNXBMFYSA-N 1 1 272.392 3.435 20 30 CGEDMO N#Cc1ccc(S[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000298454460 373332076 /nfs/dbraw/zinc/33/20/76/373332076.db2.gz SMIUPGMGZMXJLJ-INIZCTEOSA-N 1 1 295.411 3.320 20 30 CGEDMO C[C@@H](NCC[N@@H+]1CCCC(C)(C)C1)c1cccc(C#N)c1 ZINC000447566442 373453407 /nfs/dbraw/zinc/45/34/07/373453407.db2.gz SYXHXSADZXJGQE-OAHLLOKOSA-N 1 1 285.435 3.331 20 30 CGEDMO C[C@@H](NCC[N@H+]1CCCC(C)(C)C1)c1cccc(C#N)c1 ZINC000447566442 373453413 /nfs/dbraw/zinc/45/34/13/373453413.db2.gz SYXHXSADZXJGQE-OAHLLOKOSA-N 1 1 285.435 3.331 20 30 CGEDMO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CCCCC#N ZINC000175386162 373462134 /nfs/dbraw/zinc/46/21/34/373462134.db2.gz QWONJPZWFCZLOQ-DJJJIMSYSA-N 1 1 278.421 3.111 20 30 CGEDMO COc1cc(C)ccc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000345044600 217395214 /nfs/dbraw/zinc/39/52/14/217395214.db2.gz UUARJZISGCTABV-UHFFFAOYSA-N 1 1 284.334 3.304 20 30 CGEDMO N#Cc1ccc(NCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000301100790 373660043 /nfs/dbraw/zinc/66/00/43/373660043.db2.gz QDQZFBFPUBPFDV-UHFFFAOYSA-N 1 1 291.398 3.419 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCNc1ccc(C#N)c(Cl)c1 ZINC000301287735 373730398 /nfs/dbraw/zinc/73/03/98/373730398.db2.gz ZUVCOUGVYKZJFK-GFCCVEGCSA-N 1 1 277.799 3.498 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCSC[C@@H]2C2CC2)c(F)c1 ZINC000449528857 373825727 /nfs/dbraw/zinc/82/57/27/373825727.db2.gz SNOMFEHPGFLVLV-OAHLLOKOSA-N 1 1 276.380 3.025 20 30 CGEDMO CCO[C@H]1CC[N@@H+](CC(C)(C)CCC#N)C[C@H]1C ZINC000449489956 373779131 /nfs/dbraw/zinc/77/91/31/373779131.db2.gz BITKCFMLUMEYHW-KGLIPLIRSA-N 1 1 252.402 3.063 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](OC)[C@@H](C)C2)cc1 ZINC000449491900 373781831 /nfs/dbraw/zinc/78/18/31/373781831.db2.gz BAFLLGXJKGUZGW-WMLDXEAASA-N 1 1 275.392 3.108 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@@H](OCC)[C@@H](C)C2)c1 ZINC000449490733 373782067 /nfs/dbraw/zinc/78/20/67/373782067.db2.gz CQKLMKQLVZVBPW-MAUKXSAKSA-N 1 1 289.419 3.498 20 30 CGEDMO Cc1cccc(C[N@@H+](CCC#N)CC(C)(C)C)c1O ZINC000180059701 373961040 /nfs/dbraw/zinc/96/10/40/373961040.db2.gz YOBVQBXBTRPYLA-UHFFFAOYSA-N 1 1 260.381 3.462 20 30 CGEDMO COC[C@H]1CCC[N@@H+](CC(C)(C)CCC#N)CC1 ZINC000449774869 373904722 /nfs/dbraw/zinc/90/47/22/373904722.db2.gz LHWYOIHILGWCNN-AWEZNQCLSA-N 1 1 252.402 3.065 20 30 CGEDMO Cc1ccc(NCCCC[N@@H+]2CCC[C@H](C)C2)nc1C#N ZINC000302650981 373914736 /nfs/dbraw/zinc/91/47/36/373914736.db2.gz NBCCUYKTEKJUGV-AWEZNQCLSA-N 1 1 286.423 3.186 20 30 CGEDMO CC[N@@H+](Cc1cn(C)nc1-c1cccs1)C[C@@H](C)C#N ZINC000179773080 373914951 /nfs/dbraw/zinc/91/49/51/373914951.db2.gz NYHWJIKMPHPMFB-LBPRGKRZSA-N 1 1 288.420 3.130 20 30 CGEDMO CC[N@H+](Cc1cn(C)nc1-c1cccs1)C[C@@H](C)C#N ZINC000179773080 373914957 /nfs/dbraw/zinc/91/49/57/373914957.db2.gz NYHWJIKMPHPMFB-LBPRGKRZSA-N 1 1 288.420 3.130 20 30 CGEDMO CCC[N@@H+](Cc1ccc(N(C)CCC#N)cc1)C1CC1 ZINC000180098346 373963177 /nfs/dbraw/zinc/96/31/77/373963177.db2.gz RCDZDVBSLFBLMT-UHFFFAOYSA-N 1 1 271.408 3.411 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCCCNc1c(C#N)cccc1C#N ZINC000302860492 373986167 /nfs/dbraw/zinc/98/61/67/373986167.db2.gz UQBPQUFLVRCHSW-OAHLLOKOSA-N 1 1 296.418 3.496 20 30 CGEDMO CN(CC[N@@H+](C)C1CCCCC1)c1c(C#N)cccc1C#N ZINC000302872200 373990080 /nfs/dbraw/zinc/99/00/80/373990080.db2.gz CHIARRBYMIDBKD-UHFFFAOYSA-N 1 1 296.418 3.131 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)CC1CCC(=O)CC1 ZINC000450463177 374146123 /nfs/dbraw/zinc/14/61/23/374146123.db2.gz MSZIMGAJCLMARC-UHFFFAOYSA-N 1 1 264.413 3.398 20 30 CGEDMO C=CCC1(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)CCCCC1 ZINC000450536743 374159138 /nfs/dbraw/zinc/15/91/38/374159138.db2.gz AZGMOCJXRDRCDU-CABCVRRESA-N 1 1 278.440 3.064 20 30 CGEDMO C[N@@H+](CCC(=O)c1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000181959463 374196130 /nfs/dbraw/zinc/19/61/30/374196130.db2.gz WLHIMZCRWDDMMK-UHFFFAOYSA-N 1 1 296.345 3.402 20 30 CGEDMO COC[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000452101951 374235549 /nfs/dbraw/zinc/23/55/49/374235549.db2.gz KEANYAZCSLLDJL-ZDUSSCGKSA-N 1 1 292.810 3.460 20 30 CGEDMO COC[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000452101951 374235555 /nfs/dbraw/zinc/23/55/55/374235555.db2.gz KEANYAZCSLLDJL-ZDUSSCGKSA-N 1 1 292.810 3.460 20 30 CGEDMO CC(C)[N@H+](C)C[C@@H](C)Nc1cc(C#N)c2ccccc2n1 ZINC000314578235 374319970 /nfs/dbraw/zinc/31/99/70/374319970.db2.gz VOSWJJRMZFTWLM-CYBMUJFWSA-N 1 1 282.391 3.247 20 30 CGEDMO C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000319638321 374347348 /nfs/dbraw/zinc/34/73/48/374347348.db2.gz OKURTZRXMQKHKG-KFWWJZLASA-N 1 1 299.418 3.253 20 30 CGEDMO C[C@H](NC(=O)C1(C#N)CCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000329309856 374403362 /nfs/dbraw/zinc/40/33/62/374403362.db2.gz QQGRLCUTCDLXSK-UONOGXRCSA-N 1 1 289.423 3.290 20 30 CGEDMO CC[N@H+]1CCC[C@@H](NC(=O)c2coc(C3CCCC3)n2)C1 ZINC000328721795 374379107 /nfs/dbraw/zinc/37/91/07/374379107.db2.gz XCVVYCQGRNFCAI-CYBMUJFWSA-N 1 1 291.395 3.121 20 30 CGEDMO Cc1noc(C)c1CCNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000329590461 374411663 /nfs/dbraw/zinc/41/16/63/374411663.db2.gz ZRHXFLSKUSAQRW-CQSZACIVSA-N 1 1 293.411 3.055 20 30 CGEDMO CC1(C)C[N@H+](Cc2ccc(C#N)c(F)c2)[C@H]1[C@H]1CCCO1 ZINC000334153916 206107262 /nfs/dbraw/zinc/10/72/62/206107262.db2.gz PTXMLGZENSREBK-CVEARBPZSA-N 1 1 288.366 3.087 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)c(F)c2)[C@H]1[C@H]1CCCO1 ZINC000334153916 206107267 /nfs/dbraw/zinc/10/72/67/206107267.db2.gz PTXMLGZENSREBK-CVEARBPZSA-N 1 1 288.366 3.087 20 30 CGEDMO CC[C@H]1C[C@H](C)C[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000330958256 374491911 /nfs/dbraw/zinc/49/19/11/374491911.db2.gz WLIYUMROMKBLHS-ZFWWWQNUSA-N 1 1 285.391 3.007 20 30 CGEDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000185596148 374695432 /nfs/dbraw/zinc/69/54/32/374695432.db2.gz JYLGKUUNGLJDCE-SWLSCSKDSA-N 1 1 258.365 3.187 20 30 CGEDMO CC[C@@H]1[C@H](C)CC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000185635570 374703144 /nfs/dbraw/zinc/70/31/44/374703144.db2.gz BOSHWSDZCQRHAJ-NVXWUHKLSA-N 1 1 299.418 3.054 20 30 CGEDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc(C#N)cc1OC ZINC000185656417 374706340 /nfs/dbraw/zinc/70/63/40/374706340.db2.gz LRLFIAWXXITMRB-SWLSCSKDSA-N 1 1 258.365 3.187 20 30 CGEDMO C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@@H]1CC=CCC1 ZINC000459413758 374807691 /nfs/dbraw/zinc/80/76/91/374807691.db2.gz RBEUVMLSGUJTNH-CYBMUJFWSA-N 1 1 285.347 3.255 20 30 CGEDMO C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@@H]1CC=CCC1 ZINC000459413758 374807695 /nfs/dbraw/zinc/80/76/95/374807695.db2.gz RBEUVMLSGUJTNH-CYBMUJFWSA-N 1 1 285.347 3.255 20 30 CGEDMO Cc1ccc2c(c1C)OC[C@H]2[NH2+]Cc1cc(C#N)cs1 ZINC000334484079 374789130 /nfs/dbraw/zinc/78/91/30/374789130.db2.gz ZERKBMRUUKJLSC-OAHLLOKOSA-N 1 1 284.384 3.460 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000334608698 374901548 /nfs/dbraw/zinc/90/15/48/374901548.db2.gz ZUQRIYQQRZFGST-KSSFIOAISA-N 1 1 284.403 3.368 20 30 CGEDMO CC[N@@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)C[C@H](C)C#N ZINC000470176485 374995640 /nfs/dbraw/zinc/99/56/40/374995640.db2.gz WRCWBCDYMLKKGC-YLHGKKIISA-N 1 1 287.363 3.480 20 30 CGEDMO CC[N@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)C[C@H](C)C#N ZINC000470176485 374995647 /nfs/dbraw/zinc/99/56/47/374995647.db2.gz WRCWBCDYMLKKGC-YLHGKKIISA-N 1 1 287.363 3.480 20 30 CGEDMO C=CCOCCC[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000470722810 374998520 /nfs/dbraw/zinc/99/85/20/374998520.db2.gz KLSYZDHQIKPTSE-KRWDZBQOSA-N 1 1 277.383 3.425 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@H]2CCc3c2cccc3O)c(F)c1 ZINC000334720783 375003647 /nfs/dbraw/zinc/00/36/47/375003647.db2.gz RHNZAPUFYDYKEA-INIZCTEOSA-N 1 1 282.318 3.180 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC000474221779 375090147 /nfs/dbraw/zinc/09/01/47/375090147.db2.gz VAZNEEABWYLPLB-UHFFFAOYSA-N 1 1 259.393 3.370 20 30 CGEDMO C=C(C)[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccc(F)c(F)c1 ZINC000187790414 375095493 /nfs/dbraw/zinc/09/54/93/375095493.db2.gz UBUSPSVAZKHVPK-NEPJUHHUSA-N 1 1 295.251 3.095 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H](O)CCC(C)C ZINC000481742550 375165790 /nfs/dbraw/zinc/16/57/90/375165790.db2.gz LWKUTDDXROPQID-KRWDZBQOSA-N 1 1 291.435 3.480 20 30 CGEDMO COc1ccc(C[N@H+]2CCCC[C@@H](C)C2)cc1C#N ZINC000187916561 375115196 /nfs/dbraw/zinc/11/51/96/375115196.db2.gz VTOPOTHYQUUSTP-CYBMUJFWSA-N 1 1 258.365 3.189 20 30 CGEDMO C[C@H]1CCCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000187918370 375115839 /nfs/dbraw/zinc/11/58/39/375115839.db2.gz DQMSFHLBKPCMLO-AWEZNQCLSA-N 1 1 285.391 3.009 20 30 CGEDMO C[C@]12CC[N@@H+](Cc3cc(C#N)cs3)C[C@H]1C2(F)F ZINC000335230473 375246917 /nfs/dbraw/zinc/24/69/17/375246917.db2.gz LRFSFCWUQHGVCF-NEPJUHHUSA-N 1 1 268.332 3.097 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccccc1OCC(C)C ZINC000484560383 375189343 /nfs/dbraw/zinc/18/93/43/375189343.db2.gz UJTPSUDQDDKBAH-UHFFFAOYSA-N 1 1 277.408 3.356 20 30 CGEDMO COC1CCC([N@@H+](C)Cc2ccc(C#N)c(C)c2)CC1 ZINC000487866252 375278827 /nfs/dbraw/zinc/27/88/27/375278827.db2.gz BXIJCSCDHFGVCD-UHFFFAOYSA-N 1 1 272.392 3.256 20 30 CGEDMO N#Cc1ccc(C[N@@H+](CC[C@H]2CCCO2)C2CC2)cc1 ZINC000188916930 375291863 /nfs/dbraw/zinc/29/18/63/375291863.db2.gz SWLACKHFPJCDBK-QGZVFWFLSA-N 1 1 270.376 3.092 20 30 CGEDMO COCC[N@@H+](Cc1cc(C#N)ccc1F)[C@@H]1CCC[C@@H]1C ZINC000487998210 375294519 /nfs/dbraw/zinc/29/45/19/375294519.db2.gz HDUXHTZXMOFKNS-SUMWQHHRSA-N 1 1 290.382 3.334 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c1 ZINC000335248543 375257059 /nfs/dbraw/zinc/25/70/59/375257059.db2.gz JPPKWHDTBVHMTN-WMZOPIPTSA-N 1 1 296.345 3.005 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c1 ZINC000335248543 375257064 /nfs/dbraw/zinc/25/70/64/375257064.db2.gz JPPKWHDTBVHMTN-WMZOPIPTSA-N 1 1 296.345 3.005 20 30 CGEDMO CCC(=O)CC[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000190197795 375484689 /nfs/dbraw/zinc/48/46/89/375484689.db2.gz HTRFYZCNCWSCJR-CYBMUJFWSA-N 1 1 258.365 3.310 20 30 CGEDMO N#CC1(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)CC1 ZINC000335928458 375546142 /nfs/dbraw/zinc/54/61/42/375546142.db2.gz PGQHXEBTRLZNFM-NSHDSACASA-N 1 1 272.314 3.345 20 30 CGEDMO N#CC1(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)CC1 ZINC000335928458 375546149 /nfs/dbraw/zinc/54/61/49/375546149.db2.gz PGQHXEBTRLZNFM-NSHDSACASA-N 1 1 272.314 3.345 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000494485577 375488724 /nfs/dbraw/zinc/48/87/24/375488724.db2.gz LWDUFPISPMMSKL-AWEZNQCLSA-N 1 1 282.428 3.189 20 30 CGEDMO C=CC[N@@H+](C)CCOc1ccccc1C(F)(F)F ZINC000494643967 375490336 /nfs/dbraw/zinc/49/03/36/375490336.db2.gz WWEKDQXQEKOVGC-UHFFFAOYSA-N 1 1 259.271 3.202 20 30 CGEDMO C=CC[N@@H+](C)CCOc1ccc(OC(F)(F)F)cc1 ZINC000494692020 375492315 /nfs/dbraw/zinc/49/23/15/375492315.db2.gz SLSWJHPRXOZPDE-UHFFFAOYSA-N 1 1 275.270 3.082 20 30 CGEDMO C=CC[N@H+](C)C[C@@H](O)COc1ccc(C(C)(C)C)cc1C ZINC000494706471 375492350 /nfs/dbraw/zinc/49/23/50/375492350.db2.gz FDUCLGKVCUAPKD-MRXNPFEDSA-N 1 1 291.435 3.150 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000496025254 375510724 /nfs/dbraw/zinc/51/07/24/375510724.db2.gz VTRSSNXFGXKAHR-CABCVRRESA-N 1 1 294.439 3.141 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1CC[C@@H](C)O1 ZINC000190458367 375512429 /nfs/dbraw/zinc/51/24/29/375512429.db2.gz NJZPHZOKHQJASB-PBHICJAKSA-N 1 1 270.376 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000496319578 375528428 /nfs/dbraw/zinc/52/84/28/375528428.db2.gz CYTOTBQGGWMTRR-INIZCTEOSA-N 1 1 282.428 3.189 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)ccc1C#N ZINC000335933688 375550680 /nfs/dbraw/zinc/55/06/80/375550680.db2.gz NSHGURWUJXKDLX-IAGOWNOFSA-N 1 1 270.376 3.010 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000190957391 375555175 /nfs/dbraw/zinc/55/51/75/375555175.db2.gz UTLXOCZAWHAICQ-GOSISDBHSA-N 1 1 288.435 3.357 20 30 CGEDMO N#CCC[N@H+](CC1CC1)C[C@@H]1CCC2(CCCCC2)O1 ZINC000190978473 375556997 /nfs/dbraw/zinc/55/69/97/375556997.db2.gz SNEDJBMBWRZXTL-INIZCTEOSA-N 1 1 276.424 3.494 20 30 CGEDMO N#CCC[N@@H+](CC1CC1)C[C@@H]1CCC2(CCCCC2)O1 ZINC000190978473 375557000 /nfs/dbraw/zinc/55/70/00/375557000.db2.gz SNEDJBMBWRZXTL-INIZCTEOSA-N 1 1 276.424 3.494 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cccnc2)cc1F ZINC000335959115 375572942 /nfs/dbraw/zinc/57/29/42/375572942.db2.gz KRNQIBYBBCYPSX-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2)cc1F ZINC000335959115 375572947 /nfs/dbraw/zinc/57/29/47/375572947.db2.gz KRNQIBYBBCYPSX-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO COc1ccc(C[N@H+]2CCC(F)(F)[C@H](C)C2)cc1C#N ZINC000336009008 375613669 /nfs/dbraw/zinc/61/36/69/375613669.db2.gz OHXMIKLIGFGUIP-LLVKDONJSA-N 1 1 280.318 3.044 20 30 CGEDMO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1nc(C#N)cs1 ZINC000336012523 375617771 /nfs/dbraw/zinc/61/77/71/375617771.db2.gz CDGNXLOLTVKSRI-GXTWGEPZSA-N 1 1 283.400 3.393 20 30 CGEDMO Cn1cc(C[N@@H+](CCc2cccc(F)c2)C2CC2)cc1C#N ZINC000191368010 375618608 /nfs/dbraw/zinc/61/86/08/375618608.db2.gz WKKVUICSUJULQU-UHFFFAOYSA-N 1 1 297.377 3.243 20 30 CGEDMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191385818 375622115 /nfs/dbraw/zinc/62/21/15/375622115.db2.gz MWYZJIWBCSDZFR-CZUORRHYSA-N 1 1 297.377 3.414 20 30 CGEDMO CCC[N@@H+](CCCC#N)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502876104 375648355 /nfs/dbraw/zinc/64/83/55/375648355.db2.gz HAOJXQNLFQTVPS-HNNXBMFYSA-N 1 1 287.407 3.419 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1OC ZINC000505327423 375657247 /nfs/dbraw/zinc/65/72/47/375657247.db2.gz UTOPFXCBTVHDMT-AWEZNQCLSA-N 1 1 275.392 3.492 20 30 CGEDMO CC[C@@H](CSC)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192145741 375702715 /nfs/dbraw/zinc/70/27/15/375702715.db2.gz CLDHSXXOEAVBGL-ZDUSSCGKSA-N 1 1 266.385 3.271 20 30 CGEDMO CC(C)OC(=O)C[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000192189646 375707963 /nfs/dbraw/zinc/70/79/63/375707963.db2.gz WPKUHOOUFYIEJM-GOSISDBHSA-N 1 1 299.414 3.092 20 30 CGEDMO C=C(C)CC[N@@H+](Cc1ccccc1)[C@@H](CO)C(C)C ZINC000509371053 375779528 /nfs/dbraw/zinc/77/95/28/375779528.db2.gz IWLKITJJMWVELY-KRWDZBQOSA-N 1 1 261.409 3.472 20 30 CGEDMO C=C(C)CC[N@@H+](Cc1ccccc1)[C@H](CO)C(C)C ZINC000509371055 375779598 /nfs/dbraw/zinc/77/95/98/375779598.db2.gz IWLKITJJMWVELY-QGZVFWFLSA-N 1 1 261.409 3.472 20 30 CGEDMO C=CCOCC[N@@H+](CC)Cc1ccccc1Br ZINC000515155117 375809747 /nfs/dbraw/zinc/80/97/47/375809747.db2.gz DRVRYDVKYHHVHL-UHFFFAOYSA-N 1 1 298.224 3.474 20 30 CGEDMO C=CCOCC[N@H+](CC)Cc1ccccc1Br ZINC000515155117 375809750 /nfs/dbraw/zinc/80/97/50/375809750.db2.gz DRVRYDVKYHHVHL-UHFFFAOYSA-N 1 1 298.224 3.474 20 30 CGEDMO CC[N@@H+](CCCc1ccc2c(c1)CCO2)C[C@@H](C)C#N ZINC000193240348 375846028 /nfs/dbraw/zinc/84/60/28/375846028.db2.gz PDMILGRLJHPZFE-AWEZNQCLSA-N 1 1 272.392 3.036 20 30 CGEDMO C=CC[N@H+](CCC(C)(C)C(=O)OC)Cc1cccs1 ZINC000526969392 375890679 /nfs/dbraw/zinc/89/06/79/375890679.db2.gz NECZWIYAYMJOFN-UHFFFAOYSA-N 1 1 281.421 3.325 20 30 CGEDMO C=CCCCCC[N@H+]1CCSC2(CCOCC2)C1 ZINC000193561305 375894262 /nfs/dbraw/zinc/89/42/62/375894262.db2.gz ISTMPMKSNJILQC-UHFFFAOYSA-N 1 1 269.454 3.331 20 30 CGEDMO CCn1cc(C[N@@H+](C)Cc2ccccc2C(C)(C)C#N)cn1 ZINC000532623932 375952023 /nfs/dbraw/zinc/95/20/23/375952023.db2.gz NDZUHYJGKKNQKA-UHFFFAOYSA-N 1 1 296.418 3.336 20 30 CGEDMO COc1cccc(CCC[N@@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000532818362 375953812 /nfs/dbraw/zinc/95/38/12/375953812.db2.gz TXFRPFSLEUNLEN-AWEZNQCLSA-N 1 1 272.392 3.252 20 30 CGEDMO CCc1ccc(CC[N@H+](C[C@H](C)C#N)C2CC2)cc1 ZINC000532817374 375953874 /nfs/dbraw/zinc/95/38/74/375953874.db2.gz FVEYHNHURJUNBE-CQSZACIVSA-N 1 1 256.393 3.416 20 30 CGEDMO CCc1ccc(CC[N@@H+](C[C@H](C)C#N)C2CC2)cc1 ZINC000532817374 375953880 /nfs/dbraw/zinc/95/38/80/375953880.db2.gz FVEYHNHURJUNBE-CQSZACIVSA-N 1 1 256.393 3.416 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)N1CCCCCC1 ZINC000533427474 375955730 /nfs/dbraw/zinc/95/57/30/375955730.db2.gz WVAJWVIYSZVEBM-INIZCTEOSA-N 1 1 280.456 3.456 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000529715225 375934360 /nfs/dbraw/zinc/93/43/60/375934360.db2.gz YNQPXDDQXCCMNJ-HNNXBMFYSA-N 1 1 278.440 3.112 20 30 CGEDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000536682659 376122114 /nfs/dbraw/zinc/12/21/14/376122114.db2.gz AQILYSJALLARSP-UKPHBRMFSA-N 1 1 294.402 3.359 20 30 CGEDMO C=CC[C@@H](CC)NC(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000337080821 376073816 /nfs/dbraw/zinc/07/38/16/376073816.db2.gz XQFUEGJZJQXAGJ-CHWSQXEVSA-N 1 1 289.423 3.109 20 30 CGEDMO COC(=O)c1cccc(C[N@H+]2CCC[C@H]3CCC[C@H]32)c1C#N ZINC000535962678 376074920 /nfs/dbraw/zinc/07/49/20/376074920.db2.gz HLOKFYTUFBPIOZ-CXAGYDPISA-N 1 1 298.386 3.109 20 30 CGEDMO C=CC[N@H+](C[C@@H](O)COc1c(C)ccc(C)c1C)C1CC1 ZINC000536742692 376128778 /nfs/dbraw/zinc/12/87/78/376128778.db2.gz WJTZRDROLRXQNR-QGZVFWFLSA-N 1 1 289.419 3.002 20 30 CGEDMO C[N@@H+](CCCC1(C#N)CCOCC1)C[C@@H]1CC=CCC1 ZINC000337212917 376141971 /nfs/dbraw/zinc/14/19/71/376141971.db2.gz VWDZPYQLSKHHNE-MRXNPFEDSA-N 1 1 276.424 3.375 20 30 CGEDMO C[C@@H]1CCCCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000337189353 376125419 /nfs/dbraw/zinc/12/54/19/376125419.db2.gz REILIHZDLMCGOT-OAHLLOKOSA-N 1 1 264.413 3.351 20 30 CGEDMO C=CC[N@H+](CCOCC(C)C)Cc1cccc(C#N)c1 ZINC000337341834 376213764 /nfs/dbraw/zinc/21/37/64/376213764.db2.gz VECBDXQJJJOCJM-UHFFFAOYSA-N 1 1 272.392 3.219 20 30 CGEDMO C[N@H+]1CCC[C@H]2CN(c3ccc(C#N)c(Cl)c3)CC[C@H]21 ZINC000227335454 376390223 /nfs/dbraw/zinc/39/02/23/376390223.db2.gz GPIBVLDORYSOLE-XJKSGUPXSA-N 1 1 289.810 3.132 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)cc1C#N ZINC000228163824 376430892 /nfs/dbraw/zinc/43/08/92/376430892.db2.gz ZJHCYMIRCLKDRK-GOEBONIOSA-N 1 1 270.376 3.331 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000264085585 190091176 /nfs/dbraw/zinc/09/11/76/190091176.db2.gz DVYNFPFEHAIHAB-UHFFFAOYSA-N 1 1 276.767 3.154 20 30 CGEDMO CCc1nocc1C[N@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000339607992 376772663 /nfs/dbraw/zinc/77/26/63/376772663.db2.gz YTDGLXGZPCJPPR-UHFFFAOYSA-N 1 1 269.348 3.049 20 30 CGEDMO CCc1nocc1C[N@@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000339607992 376772670 /nfs/dbraw/zinc/77/26/70/376772670.db2.gz YTDGLXGZPCJPPR-UHFFFAOYSA-N 1 1 269.348 3.049 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](OCC)C2)cc1 ZINC000155489055 542123816 /nfs/dbraw/zinc/12/38/16/542123816.db2.gz YVIHNRDAVLIIFJ-QGZVFWFLSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@H](OCC)C1 ZINC000155456417 542124189 /nfs/dbraw/zinc/12/41/89/542124189.db2.gz WWJAWIMRABYLIW-INIZCTEOSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@H](OCC)C2)c1 ZINC000155468241 542124212 /nfs/dbraw/zinc/12/42/12/542124212.db2.gz DFXWAXUAXJPVDT-KRWDZBQOSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCc2cc(OC)c(Cl)cc2C1 ZINC000339735557 376829336 /nfs/dbraw/zinc/82/93/36/376829336.db2.gz OMNQLSFXPOFQJN-AWEZNQCLSA-N 1 1 295.810 3.034 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000339773930 376839453 /nfs/dbraw/zinc/83/94/53/376839453.db2.gz YUBWBWWPBGIFDX-OAHLLOKOSA-N 1 1 264.413 3.207 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)o1 ZINC000245735527 376895140 /nfs/dbraw/zinc/89/51/40/376895140.db2.gz KQOJTWCCFKIAMK-ZIAGYGMSSA-N 1 1 262.378 3.011 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCS[C@H]3CCCC[C@H]32)c1 ZINC000245804413 376914308 /nfs/dbraw/zinc/91/43/08/376914308.db2.gz YFSKAZGHBCDCFG-KGLIPLIRSA-N 1 1 278.446 3.480 20 30 CGEDMO C[C@@H](NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000245899003 376929419 /nfs/dbraw/zinc/92/94/19/376929419.db2.gz NQBFPBDBEUJRAH-BZUAXINKSA-N 1 1 285.435 3.329 20 30 CGEDMO C[C@@H](NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000245899003 376929426 /nfs/dbraw/zinc/92/94/26/376929426.db2.gz NQBFPBDBEUJRAH-BZUAXINKSA-N 1 1 285.435 3.329 20 30 CGEDMO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCCCC#N)C1 ZINC000246367524 377015315 /nfs/dbraw/zinc/01/53/15/377015315.db2.gz LLFAZAREBGTOGV-IRXDYDNUSA-N 1 1 277.456 3.267 20 30 CGEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CCCCC#N)C1 ZINC000246367524 377015324 /nfs/dbraw/zinc/01/53/24/377015324.db2.gz LLFAZAREBGTOGV-IRXDYDNUSA-N 1 1 277.456 3.267 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000246623243 377064255 /nfs/dbraw/zinc/06/42/55/377064255.db2.gz BYMJGNGHLQSENH-KBPBESRZSA-N 1 1 293.432 3.112 20 30 CGEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CC[C@@H](CC3CC3)C2)c1 ZINC000559410974 377087430 /nfs/dbraw/zinc/08/74/30/377087430.db2.gz ZTOOJFICJWCXJY-INIZCTEOSA-N 1 1 297.402 3.009 20 30 CGEDMO C[C@@H](C1CC1)[N@@H+](Cc1cccc(C#N)c1F)C1CC1 ZINC000340766485 377248411 /nfs/dbraw/zinc/24/84/11/377248411.db2.gz YVBQVSWIXGEUPP-NSHDSACASA-N 1 1 258.340 3.460 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@@H](CC)c1ccccc1OC ZINC000561955144 377253460 /nfs/dbraw/zinc/25/34/60/377253460.db2.gz JKPBDGZAPPNVEG-HOCLYGCPSA-N 1 1 277.408 3.405 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000340907863 377314214 /nfs/dbraw/zinc/31/42/14/377314214.db2.gz QOJWNTHYCWCMNG-HOTGVXAUSA-N 1 1 278.440 3.066 20 30 CGEDMO N#Cc1cccc(C[N@H+](CCCO)Cc2ccccc2)c1F ZINC000340934938 377327478 /nfs/dbraw/zinc/32/74/78/377327478.db2.gz YDHPTGABDCSPEK-UHFFFAOYSA-N 1 1 298.361 3.082 20 30 CGEDMO N#Cc1cccc(C[N@@H+](CCCO)Cc2ccccc2)c1F ZINC000340934938 377327487 /nfs/dbraw/zinc/32/74/87/377327487.db2.gz YDHPTGABDCSPEK-UHFFFAOYSA-N 1 1 298.361 3.082 20 30 CGEDMO N#Cc1csc(C[N@H+]2CC[C@H](Nc3ccccc3)C2)c1 ZINC000092758321 249034286 /nfs/dbraw/zinc/03/42/86/249034286.db2.gz QVDGJUNWHHDCBC-HNNXBMFYSA-N 1 1 283.400 3.306 20 30 CGEDMO CC(C)O[C@@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000567789698 377509743 /nfs/dbraw/zinc/50/97/43/377509743.db2.gz ASKDTYDXKZRIHG-OAHLLOKOSA-N 1 1 264.413 3.350 20 30 CGEDMO C[C@@H]1CCC[C@](C[NH2+]Cc2cc(C#N)cs2)(N(C)C)C1 ZINC000093492513 249037792 /nfs/dbraw/zinc/03/77/92/249037792.db2.gz XWDSZBQXZULMFH-CJNGLKHVSA-N 1 1 291.464 3.220 20 30 CGEDMO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(C#N)cc1 ZINC000037654277 249002471 /nfs/dbraw/zinc/00/24/71/249002471.db2.gz OFXYPSKSDZZTDK-SNVBAGLBSA-N 1 1 287.344 3.379 20 30 CGEDMO CC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000315997149 249099609 /nfs/dbraw/zinc/09/96/09/249099609.db2.gz QJJYSXIHYITWEO-HNNXBMFYSA-N 1 1 299.418 3.399 20 30 CGEDMO C=CCCCC[N@@H+]1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000572333872 377547798 /nfs/dbraw/zinc/54/77/98/377547798.db2.gz KSHNYVYJAOIDSW-PMPSAXMXSA-N 1 1 267.413 3.001 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000573411533 377556172 /nfs/dbraw/zinc/55/61/72/377556172.db2.gz RZBDFAFEKZGRPO-LSDHHAIUSA-N 1 1 267.413 3.001 20 30 CGEDMO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000573694633 377562828 /nfs/dbraw/zinc/56/28/28/377562828.db2.gz GGCVUKSUTZKIPE-LLVKDONJSA-N 1 1 287.313 3.424 20 30 CGEDMO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000573694633 377562835 /nfs/dbraw/zinc/56/28/35/377562835.db2.gz GGCVUKSUTZKIPE-LLVKDONJSA-N 1 1 287.313 3.424 20 30 CGEDMO Cc1cc(C2CC[NH+](Cc3ccc(C#N)s3)CC2)n[nH]1 ZINC000516660057 249240249 /nfs/dbraw/zinc/24/02/49/249240249.db2.gz JJAFSVBQHAJISF-UHFFFAOYSA-N 1 1 286.404 3.031 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@H+](C)[C@H](C)C2CC2)c1C ZINC000177579773 542192059 /nfs/dbraw/zinc/19/20/59/542192059.db2.gz WZMUYQNEAMBSCY-CYBMUJFWSA-N 1 1 274.408 3.204 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000265455502 190183167 /nfs/dbraw/zinc/18/31/67/190183167.db2.gz LSZYVPIIXLLCSY-UHFFFAOYSA-N 1 1 286.419 3.189 20 30 CGEDMO N#Cc1ccc(C[N@H+](C[C@H]2CCCC[C@@H]2O)C2CC2)cc1 ZINC000518192703 249277090 /nfs/dbraw/zinc/27/70/90/249277090.db2.gz PONRZNLCRAAATJ-AEFFLSMTSA-N 1 1 284.403 3.074 20 30 CGEDMO CC(C)C[C@]1(C)CCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000517236866 249260333 /nfs/dbraw/zinc/26/03/33/249260333.db2.gz RWWXUYBXTQGLEC-KRWDZBQOSA-N 1 1 297.406 3.002 20 30 CGEDMO CCC(CC)[N@@H+](CC)Cc1cccc(C(=O)OC)c1C#N ZINC000517258260 249261415 /nfs/dbraw/zinc/26/14/15/249261415.db2.gz YSYXSGAERMJLHG-UHFFFAOYSA-N 1 1 288.391 3.355 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1cn(C)nc1CC ZINC000179858926 542203740 /nfs/dbraw/zinc/20/37/40/542203740.db2.gz HLEDVGGREVSFQT-UHFFFAOYSA-N 1 1 283.419 3.213 20 30 CGEDMO Cc1cc(SCC[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1C#N ZINC000573935722 377597523 /nfs/dbraw/zinc/59/75/23/377597523.db2.gz NTXWQMCEBHCGLB-ZIAGYGMSSA-N 1 1 290.432 3.068 20 30 CGEDMO C[C@H](CNc1c(F)cc(C#N)cc1F)[N@H+]1CCC[C@H](C)C1 ZINC000252211602 377618932 /nfs/dbraw/zinc/61/89/32/377618932.db2.gz WLZFPUXNKDOYLK-NWDGAFQWSA-N 1 1 293.361 3.369 20 30 CGEDMO Cc1ccccc1[C@@H]1C[N@@H+](CCCCC#N)[C@@H](C)CO1 ZINC000252481028 377628621 /nfs/dbraw/zinc/62/86/21/377628621.db2.gz SRRPGHNTXCSGIR-RDJZCZTQSA-N 1 1 272.392 3.451 20 30 CGEDMO C[N@H+](CC#Cc1ccccc1Cl)CC[C@@H]1CCCO1 ZINC000342609924 377690657 /nfs/dbraw/zinc/69/06/57/377690657.db2.gz WQXUTHFNGKKRDB-HNNXBMFYSA-N 1 1 277.795 3.192 20 30 CGEDMO CCC[N@@H+](CCOc1ccc(C#N)cc1OC)C(C)C ZINC000574581388 377683154 /nfs/dbraw/zinc/68/31/54/377683154.db2.gz JGYAKEJQGOGELK-UHFFFAOYSA-N 1 1 276.380 3.066 20 30 CGEDMO C[N@@H+](Cc1ccc(CC#N)cc1)Cc1ccc2c(c1)OCO2 ZINC000342764281 377778179 /nfs/dbraw/zinc/77/81/79/377778179.db2.gz HDVSWMKXZYCOJV-UHFFFAOYSA-N 1 1 294.354 3.113 20 30 CGEDMO COc1ccccc1/C=C\C[N@H+](CCC#N)CC1CC1 ZINC000255361150 377753542 /nfs/dbraw/zinc/75/35/42/377753542.db2.gz UVVFWGIAPOXUSM-DAXSKMNVSA-N 1 1 270.376 3.334 20 30 CGEDMO COc1ccccc1/C=C\C[N@@H+](CCC#N)CC1CC1 ZINC000255361150 377753561 /nfs/dbraw/zinc/75/35/61/377753561.db2.gz UVVFWGIAPOXUSM-DAXSKMNVSA-N 1 1 270.376 3.334 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000342735227 377764574 /nfs/dbraw/zinc/76/45/74/377764574.db2.gz PASPRYASEBOFLV-GFCCVEGCSA-N 1 1 280.799 3.483 20 30 CGEDMO N#Cc1ccc(F)c(C[NH2+]C2(c3ccccc3)CC2)c1 ZINC000342996512 377879156 /nfs/dbraw/zinc/87/91/56/377879156.db2.gz FBIAFFJTBCHRRI-UHFFFAOYSA-N 1 1 266.319 3.476 20 30 CGEDMO Cc1ccc(C#N)c(NC[C@@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC000343063013 377892202 /nfs/dbraw/zinc/89/22/02/377892202.db2.gz GQNRDXSGQLEBTK-KRWDZBQOSA-N 1 1 298.434 3.471 20 30 CGEDMO CCCCO[C@H]1C[C@@H]([N@@H+](C)CC2(C#N)CC2)C1(C)C ZINC000343323304 377952812 /nfs/dbraw/zinc/95/28/12/377952812.db2.gz JFQVQDXGBKRZIE-KGLIPLIRSA-N 1 1 264.413 3.206 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(OC(C)C)c(OC)c1 ZINC000343447567 377982601 /nfs/dbraw/zinc/98/26/01/377982601.db2.gz TUJFXLIILLJGID-UHFFFAOYSA-N 1 1 263.381 3.490 20 30 CGEDMO C=CCC[N@H+](C)Cc1nc2ccccc2n1CCC ZINC000343490905 377994808 /nfs/dbraw/zinc/99/48/08/377994808.db2.gz MRZAXFIZXMIHCY-UHFFFAOYSA-N 1 1 257.381 3.454 20 30 CGEDMO C[C@@H]1c2ccccc2CC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000268630025 378083242 /nfs/dbraw/zinc/08/32/42/378083242.db2.gz BLCJEMJXKWKSRM-KUHUBIRLSA-N 1 1 292.382 3.211 20 30 CGEDMO C[C@H](c1ccccc1F)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000268633040 378084256 /nfs/dbraw/zinc/08/42/56/378084256.db2.gz QJEVLLNNYSFERT-ACJLOTCBSA-N 1 1 298.361 3.424 20 30 CGEDMO Cn1cc([C@@H]2C[N@@H+](CCCC(C)(C)C#N)CC2(C)C)cn1 ZINC000578284869 378053895 /nfs/dbraw/zinc/05/38/95/378053895.db2.gz IPHYMTOOCGQXRX-HNNXBMFYSA-N 1 1 288.439 3.175 20 30 CGEDMO C=CCCCCC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000578549536 378079939 /nfs/dbraw/zinc/07/99/39/378079939.db2.gz QJXNJLXXNHFYDI-XHSDSOJGSA-N 1 1 250.430 3.195 20 30 CGEDMO C=CCCCCC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000578549535 378079965 /nfs/dbraw/zinc/07/99/65/378079965.db2.gz QJXNJLXXNHFYDI-OAGGEKHMSA-N 1 1 250.430 3.195 20 30 CGEDMO C[C@@H]1CCC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000579114886 378131224 /nfs/dbraw/zinc/13/12/24/378131224.db2.gz GZBCOQOPCGKFMV-DOMZBBRYSA-N 1 1 287.363 3.477 20 30 CGEDMO C[C@@H](C[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1)c1ccccc1 ZINC000268716762 378095697 /nfs/dbraw/zinc/09/56/97/378095697.db2.gz UZQDITVLTOTUSU-HNAYVOBHSA-N 1 1 294.398 3.327 20 30 CGEDMO C[NH+](C)Cc1cccc(CNCc2ccc(C#N)cc2F)c1 ZINC000269445074 378223825 /nfs/dbraw/zinc/22/38/25/378223825.db2.gz USHVBRGFHLWUAZ-UHFFFAOYSA-N 1 1 297.377 3.049 20 30 CGEDMO C[C@@H]1C[C@H](C)CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000579964438 378213250 /nfs/dbraw/zinc/21/32/50/378213250.db2.gz HGFWOEOAYKIYQO-CHWSQXEVSA-N 1 1 287.363 3.334 20 30 CGEDMO N#CCCCC[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000270411351 378347542 /nfs/dbraw/zinc/34/75/42/378347542.db2.gz DVUIZCYPMZSDMV-OAHLLOKOSA-N 1 1 282.391 3.195 20 30 CGEDMO CC[C@H](CC#N)N[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000583935148 378360048 /nfs/dbraw/zinc/36/00/48/378360048.db2.gz RWJQEISCQWNIAG-MSOLQXFVSA-N 1 1 297.446 3.465 20 30 CGEDMO Cc1ccccc1OCCC[N@H+](C)Cc1ccc(C#N)cn1 ZINC000584030159 378367284 /nfs/dbraw/zinc/36/72/84/378367284.db2.gz JYRVSYOIVQNUJQ-UHFFFAOYSA-N 1 1 295.386 3.163 20 30 CGEDMO C#CCCC[N@@H+]1C[C@H](c2ccccc2C)OC[C@H]1C ZINC000271064575 378446146 /nfs/dbraw/zinc/44/61/46/378446146.db2.gz UDNNAVJPAZNVEZ-NVXWUHKLSA-N 1 1 257.377 3.170 20 30 CGEDMO COc1cc(C[N@@H+](C)CC(C)(C)CCC#N)cc(OC)c1 ZINC000271082352 378451065 /nfs/dbraw/zinc/45/10/65/378451065.db2.gz XCJVSFCFRYPECL-UHFFFAOYSA-N 1 1 290.407 3.466 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCCC3(CCOCC3)C2)cc1 ZINC000271155058 378464877 /nfs/dbraw/zinc/46/48/77/378464877.db2.gz AYJSXMLJKWOAFQ-UHFFFAOYSA-N 1 1 299.414 3.091 20 30 CGEDMO C#CCCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000271004102 378424795 /nfs/dbraw/zinc/42/47/95/378424795.db2.gz GROFVAONBOUIQX-UHFFFAOYSA-N 1 1 260.337 3.219 20 30 CGEDMO Cc1nc([C@H](C)[NH2+]Cc2ccc(OCC#N)cc2)cs1 ZINC000271501083 378495277 /nfs/dbraw/zinc/49/52/77/378495277.db2.gz QPXSWPKTOHNFSL-NSHDSACASA-N 1 1 287.388 3.205 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000272224183 378589697 /nfs/dbraw/zinc/58/96/97/378589697.db2.gz LDBHTXPIQHUTAX-CQSZACIVSA-N 1 1 274.412 3.218 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000272224183 378589708 /nfs/dbraw/zinc/58/97/08/378589708.db2.gz LDBHTXPIQHUTAX-CQSZACIVSA-N 1 1 274.412 3.218 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1ccn(C(C)C)n1 ZINC000272315289 378610454 /nfs/dbraw/zinc/61/04/54/378610454.db2.gz SLTFNIKTNYAUMC-UHFFFAOYSA-N 1 1 273.380 3.288 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1ccn(C(C)C)n1 ZINC000272315289 378610460 /nfs/dbraw/zinc/61/04/60/378610460.db2.gz SLTFNIKTNYAUMC-UHFFFAOYSA-N 1 1 273.380 3.288 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](CC[C@H]3CCCO3)CC2)cc1 ZINC000346600186 378640962 /nfs/dbraw/zinc/64/09/62/378640962.db2.gz HALUSKWIALZJKF-GOSISDBHSA-N 1 1 282.387 3.216 20 30 CGEDMO C=CCOCCC[NH2+]C1(c2noc(C)n2)CCCCCC1 ZINC000348024741 378756105 /nfs/dbraw/zinc/75/61/05/378756105.db2.gz AGUKDTHRQZSIQE-UHFFFAOYSA-N 1 1 293.411 3.110 20 30 CGEDMO C=CC[N@@H+](CCCC(=O)CC)CCc1ccccc1 ZINC000347730179 378724584 /nfs/dbraw/zinc/72/45/84/378724584.db2.gz FYBJIXYYZCYMPQ-UHFFFAOYSA-N 1 1 259.393 3.476 20 30 CGEDMO C=CCOCCC[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000348060216 378771108 /nfs/dbraw/zinc/77/11/08/378771108.db2.gz XNPGCRRIOWEEPJ-GOSISDBHSA-N 1 1 289.419 3.118 20 30 CGEDMO C=CCOCCC[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000348060217 378771534 /nfs/dbraw/zinc/77/15/34/378771534.db2.gz XNPGCRRIOWEEPJ-SFHVURJKSA-N 1 1 289.419 3.118 20 30 CGEDMO C=CCOCCC[N@H+](C)Cc1ccc(F)c(C)c1 ZINC000348184407 378828280 /nfs/dbraw/zinc/82/82/80/378828280.db2.gz WRNGTJLKEGRZRR-UHFFFAOYSA-N 1 1 251.345 3.159 20 30 CGEDMO CC(C)(C#N)C[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000348219687 378845283 /nfs/dbraw/zinc/84/52/83/378845283.db2.gz LVBPIJDSASJVMD-ONEGZZNKSA-N 1 1 250.292 3.117 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cncc(F)c1 ZINC000275121143 378939576 /nfs/dbraw/zinc/93/95/76/378939576.db2.gz JHOVLJMKETXUDR-UHFFFAOYSA-N 1 1 260.312 3.044 20 30 CGEDMO CCCCCCC[C@@H](CCC)[NH2+][C@@H]1CNC[C@H]1F ZINC001246129501 804155556 /nfs/dbraw/zinc/15/55/56/804155556.db2.gz QFENIAINEXBDQW-RBSFLKMASA-N 1 1 258.425 3.415 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC2(C1)CCOCC2 ZINC000275625564 378957567 /nfs/dbraw/zinc/95/75/67/378957567.db2.gz MWSBWBSZXDGNGK-AWEZNQCLSA-N 1 1 270.376 3.122 20 30 CGEDMO Cc1ccc([C@H]2CCC[N@@H+]2Cc2cc(C#N)n(C)c2)o1 ZINC000276716980 378984800 /nfs/dbraw/zinc/98/48/00/378984800.db2.gz DSLWKWRVOVEEIC-OAHLLOKOSA-N 1 1 269.348 3.135 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@@H]2c2ccsc2)cc1C#N ZINC000276759617 378991794 /nfs/dbraw/zinc/99/17/94/378991794.db2.gz MPZDCMCXWYXPGR-OAHLLOKOSA-N 1 1 271.389 3.295 20 30 CGEDMO C=CC[N@@H+](C[C@@H]1CCN(c2ccccc2)C1)C1CC1 ZINC000639063540 378997954 /nfs/dbraw/zinc/99/79/54/378997954.db2.gz XTJFJBMWFUBXEU-HNNXBMFYSA-N 1 1 256.393 3.163 20 30 CGEDMO CC(C)[N@H+](Cc1ccc(C#N)s1)Cc1cccnc1 ZINC000349286081 379215043 /nfs/dbraw/zinc/21/50/43/379215043.db2.gz TWILDQQMKCLAOA-UHFFFAOYSA-N 1 1 271.389 3.425 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc(C#N)s1)Cc1cccnc1 ZINC000349286081 379215052 /nfs/dbraw/zinc/21/50/52/379215052.db2.gz TWILDQQMKCLAOA-UHFFFAOYSA-N 1 1 271.389 3.425 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@H](c2nccn2C)C2CC2)C1 ZINC000639308694 379258365 /nfs/dbraw/zinc/25/83/65/379258365.db2.gz HUHSTWSDTAWTOJ-HIFRSBDPSA-N 1 1 259.397 3.159 20 30 CGEDMO C=CCCCCC[N@H+](CCOC)Cc1cccnc1 ZINC000278335784 379352860 /nfs/dbraw/zinc/35/28/60/379352860.db2.gz BNOZCNXNOGVZCR-UHFFFAOYSA-N 1 1 262.397 3.276 20 30 CGEDMO N#Cc1cccc(OCC[N@H+]2CC[C@@H](c3ccco3)C2)c1 ZINC000374003814 379359176 /nfs/dbraw/zinc/35/91/76/379359176.db2.gz RZQSUOMCNCSLTD-OAHLLOKOSA-N 1 1 282.343 3.020 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(Cl)cc1-n1cncn1 ZINC000279564185 379460762 /nfs/dbraw/zinc/46/07/62/379460762.db2.gz FLSHLQDOLFSXNU-UHFFFAOYSA-N 1 1 290.798 3.319 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000375333226 379492721 /nfs/dbraw/zinc/49/27/21/379492721.db2.gz SFFLQSXKRIGTFV-KRWDZBQOSA-N 1 1 284.403 3.099 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCO[C@H](C2CC2)C1 ZINC000375333226 379492731 /nfs/dbraw/zinc/49/27/31/379492731.db2.gz SFFLQSXKRIGTFV-KRWDZBQOSA-N 1 1 284.403 3.099 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCC[C@H](c3cccnc3)C2)cc1 ZINC000639696655 379552786 /nfs/dbraw/zinc/55/27/86/379552786.db2.gz NTVJWAICAHGHBR-SFHVURJKSA-N 1 1 294.373 3.452 20 30 CGEDMO C=CC[C@H]1[N@H+](Cc2cc[nH]c(=O)c2)CCCC1(C)C ZINC000639612178 379503806 /nfs/dbraw/zinc/50/38/06/379503806.db2.gz MBZXQTKRSFADME-CQSZACIVSA-N 1 1 260.381 3.354 20 30 CGEDMO C=CCC[C@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1ccco1 ZINC000375812004 379511691 /nfs/dbraw/zinc/51/16/91/379511691.db2.gz XINGTSPAJRQWKB-KGLIPLIRSA-N 1 1 271.364 3.157 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](n2ccnn2)CC1 ZINC000639816485 379599762 /nfs/dbraw/zinc/59/97/62/379599762.db2.gz FKMITLOZUKQICX-HUUCEWRRSA-N 1 1 262.401 3.050 20 30 CGEDMO C=CCCC[NH+]1CCC(Cc2nnc(C(C)C)[nH]2)CC1 ZINC000639718534 379557816 /nfs/dbraw/zinc/55/78/16/379557816.db2.gz MJJGPZJALOUCLI-UHFFFAOYSA-N 1 1 276.428 3.149 20 30 CGEDMO C=CCCC[NH+]1CCC(Cc2n[nH]c(C(C)C)n2)CC1 ZINC000639718534 379557818 /nfs/dbraw/zinc/55/78/18/379557818.db2.gz MJJGPZJALOUCLI-UHFFFAOYSA-N 1 1 276.428 3.149 20 30 CGEDMO C[C@@H](c1ccccn1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000267056497 190299991 /nfs/dbraw/zinc/29/99/91/190299991.db2.gz KYOUBSZJBOSQFD-ZDUSSCGKSA-N 1 1 251.333 3.146 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cccc2c1OC(C)(C)C2 ZINC000351617762 379731196 /nfs/dbraw/zinc/73/11/96/379731196.db2.gz CGRJMWFSELTVMP-UHFFFAOYSA-N 1 1 275.392 3.035 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1ccc2c(c1)oc(=O)n2C ZINC000351625035 379732157 /nfs/dbraw/zinc/73/21/57/379732157.db2.gz RUHQDVLDSZHOGA-UHFFFAOYSA-N 1 1 288.391 3.310 20 30 CGEDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000280569770 379736459 /nfs/dbraw/zinc/73/64/59/379736459.db2.gz RVHZDDYYHIGWNP-INIZCTEOSA-N 1 1 276.355 3.088 20 30 CGEDMO C=CC[N@H+](CCCCF)Cc1cccc([N+](=O)[O-])c1 ZINC000351855140 379745933 /nfs/dbraw/zinc/74/59/33/379745933.db2.gz HTKWKZONIOSSRF-UHFFFAOYSA-N 1 1 266.316 3.333 20 30 CGEDMO Cc1[nH+]ccn1CCCSc1ccc(C#N)cc1 ZINC000352538507 379849194 /nfs/dbraw/zinc/84/91/94/379849194.db2.gz LFDFMDODMJVERR-UHFFFAOYSA-N 1 1 257.362 3.246 20 30 CGEDMO COc1cc(C[N@H+]2CC[C@H](CC(F)(F)F)C2)ccc1C#N ZINC000282229438 379877667 /nfs/dbraw/zinc/87/76/67/379877667.db2.gz IKOUZGUXZNTJJR-GFCCVEGCSA-N 1 1 298.308 3.341 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1cccc(C#N)c1 ZINC000389932039 379905640 /nfs/dbraw/zinc/90/56/40/379905640.db2.gz LJMMRBGVCGNBTR-KXBFYZLASA-N 1 1 291.398 3.491 20 30 CGEDMO Cc1ccc([C@@H](C)[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000352833228 379991291 /nfs/dbraw/zinc/99/12/91/379991291.db2.gz HMGIVVPZYBBMBL-LLVKDONJSA-N 1 1 257.362 3.174 20 30 CGEDMO C=C(C)C[N@H+](CCCOCC)Cc1cnn(C(C)C)c1 ZINC000352914848 380035448 /nfs/dbraw/zinc/03/54/48/380035448.db2.gz MTVMKHLEZGMHDO-UHFFFAOYSA-N 1 1 279.428 3.269 20 30 CGEDMO C=C(C)CN1CCC([NH2+]Cc2ccc(SC)o2)CC1 ZINC000641718953 380060720 /nfs/dbraw/zinc/06/07/20/380060720.db2.gz GLLYXKJNOAOHCR-UHFFFAOYSA-N 1 1 280.437 3.132 20 30 CGEDMO C[N@@H+](CCC1(C#N)CCCCC1)C[C@@H]1CCCOC1 ZINC000411267798 380135601 /nfs/dbraw/zinc/13/56/01/380135601.db2.gz CIPAXZJRAKEEKO-HNNXBMFYSA-N 1 1 264.413 3.209 20 30 CGEDMO N#CC1(CC[N@@H+]2CC[C@H](N3CCCCC3)C2)CCCCC1 ZINC000411281978 380138170 /nfs/dbraw/zinc/13/81/70/380138170.db2.gz UIZUNNZOKUODPP-KRWDZBQOSA-N 1 1 289.467 3.411 20 30 CGEDMO N#CC1(CC[N@H+]2CC[C@H](N3CCCCC3)C2)CCCCC1 ZINC000411281978 380138179 /nfs/dbraw/zinc/13/81/79/380138179.db2.gz UIZUNNZOKUODPP-KRWDZBQOSA-N 1 1 289.467 3.411 20 30 CGEDMO C[C@@H](CCC#N)[N@@H+]1CCc2cccc(Br)c2C1 ZINC000411276474 380140026 /nfs/dbraw/zinc/14/00/26/380140026.db2.gz MKTVBYNDFKWTFB-NSHDSACASA-N 1 1 293.208 3.499 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCc2cccc(Br)c2C1 ZINC000411276474 380140033 /nfs/dbraw/zinc/14/00/33/380140033.db2.gz MKTVBYNDFKWTFB-NSHDSACASA-N 1 1 293.208 3.499 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCC1(O)CCC1 ZINC000411116588 380130377 /nfs/dbraw/zinc/13/03/77/380130377.db2.gz YPTFAAKDPBQDEF-SJORKVTESA-N 1 1 284.403 3.063 20 30 CGEDMO CCC[N@@H+](CC(C)C)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000411203759 380134175 /nfs/dbraw/zinc/13/41/75/380134175.db2.gz SHMJEVDESMTXQZ-HNNXBMFYSA-N 1 1 293.455 3.086 20 30 CGEDMO C=C(C)[C@@H]([NH2+]CC(=O)N(C)C(C)C)c1ccc(F)c(F)c1 ZINC000411546217 380151745 /nfs/dbraw/zinc/15/17/45/380151745.db2.gz AJCCMWSTCFZLQP-MRXNPFEDSA-N 1 1 296.361 3.038 20 30 CGEDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CC1(C)C ZINC000354003060 380274798 /nfs/dbraw/zinc/27/47/98/380274798.db2.gz QRWINYXMEJTGRS-CQSZACIVSA-N 1 1 299.418 3.255 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H]2Cc2ccccc2)cc1 ZINC000354010423 380276463 /nfs/dbraw/zinc/27/64/63/380276463.db2.gz QCHUBCYEKPZRIS-SFHVURJKSA-N 1 1 262.356 3.375 20 30 CGEDMO C=CCOCC[N@H+]1CCc2ccccc2[C@@H]1C(C)C ZINC000645091394 380577351 /nfs/dbraw/zinc/57/73/51/380577351.db2.gz FZJUSVXLPHPVHW-KRWDZBQOSA-N 1 1 259.393 3.444 20 30 CGEDMO Cc1[nH+]c2ccccc2c(NCC2(C#N)CCC2)c1C ZINC000419023273 380764074 /nfs/dbraw/zinc/76/40/74/380764074.db2.gz OPMIDKPVSZKELL-UHFFFAOYSA-N 1 1 265.360 3.379 20 30 CGEDMO CO[C@@H](CC(C)C)C[N@@H+](CCC#N)CC(C)(C)C ZINC000419209182 380779676 /nfs/dbraw/zinc/77/96/76/380779676.db2.gz SJJNEWVYLFECHH-AWEZNQCLSA-N 1 1 254.418 3.309 20 30 CGEDMO CO[C@H](CC(C)C)C[N@@H+](CCC#N)CCC(C)C ZINC000419224086 380783179 /nfs/dbraw/zinc/78/31/79/380783179.db2.gz YYXFHKBKZQRVCD-OAHLLOKOSA-N 1 1 254.418 3.309 20 30 CGEDMO COc1ccc2c(c1)OC(C)(C)C[N@@H+]([C@@H](C)CCC#N)C2 ZINC000421040210 380871382 /nfs/dbraw/zinc/87/13/82/380871382.db2.gz NCCUGOROZGWTSX-ZDUSSCGKSA-N 1 1 288.391 3.360 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)cc1F ZINC000421382305 380927310 /nfs/dbraw/zinc/92/73/10/380927310.db2.gz MNMIYFCTZSNDST-RDJZCZTQSA-N 1 1 270.351 3.318 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000357040617 381007047 /nfs/dbraw/zinc/00/70/47/381007047.db2.gz OFVNUJOBBMUMJW-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000357788056 381283092 /nfs/dbraw/zinc/28/30/92/381283092.db2.gz ILJNTTAAWKQIIT-UHFFFAOYSA-N 1 1 285.366 3.336 20 30 CGEDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc(CC#N)cc2)CC1 ZINC000361423629 381741977 /nfs/dbraw/zinc/74/19/77/381741977.db2.gz VIJDTOOXBXCHGE-KRWDZBQOSA-N 1 1 272.392 3.144 20 30 CGEDMO CC(C)(C)[C@H]1CCC[N@@H+](CCCSCC#N)C1 ZINC000361544157 381794799 /nfs/dbraw/zinc/79/47/99/381794799.db2.gz SJQGFZGKWGDVGJ-ZDUSSCGKSA-N 1 1 254.443 3.391 20 30 CGEDMO CC[C@@H](C)[C@H]1CCCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000361550653 381796236 /nfs/dbraw/zinc/79/62/36/381796236.db2.gz GGDKIUDWFMOEDF-CZUORRHYSA-N 1 1 259.397 3.297 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H](CC(N)=O)c1ccccc1 ZINC000361470666 381760208 /nfs/dbraw/zinc/76/02/08/381760208.db2.gz UQLUEWQYPKGIIY-MRXNPFEDSA-N 1 1 274.408 3.281 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@@H+](CC1CC1)C1CCC1 ZINC000361585122 381818788 /nfs/dbraw/zinc/81/87/88/381818788.db2.gz HDOHSASKVFTJLS-UHFFFAOYSA-N 1 1 258.340 3.462 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cccc(-c2ccncc2)c1 ZINC000361646700 381856398 /nfs/dbraw/zinc/85/63/98/381856398.db2.gz HVZVPGUQCDADBY-UHFFFAOYSA-N 1 1 282.387 3.383 20 30 CGEDMO C[C@@H]1CCOCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000362231874 381912611 /nfs/dbraw/zinc/91/26/11/381912611.db2.gz ACIFXCJADMQQEN-CYBMUJFWSA-N 1 1 297.320 3.168 20 30 CGEDMO C[C@@H]1CCOCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000362231874 381912616 /nfs/dbraw/zinc/91/26/16/381912616.db2.gz ACIFXCJADMQQEN-CYBMUJFWSA-N 1 1 297.320 3.168 20 30 CGEDMO COCC[N@@H+](CCCC(C)(C)C#N)[C@H]1CC[C@H](C)C1 ZINC000362163559 381893681 /nfs/dbraw/zinc/89/36/81/381893681.db2.gz PEHLLAAAOQEPCU-GJZGRUSLSA-N 1 1 266.429 3.453 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCCC2(CCOCC2)C1 ZINC000365716772 382292599 /nfs/dbraw/zinc/29/25/99/382292599.db2.gz DLDRNSJXJPCTNK-UHFFFAOYSA-N 1 1 264.413 3.209 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCOCC12CCCC2 ZINC000369319600 382389253 /nfs/dbraw/zinc/38/92/53/382389253.db2.gz PCURNPZAOGEDFE-UHFFFAOYSA-N 1 1 264.413 3.351 20 30 CGEDMO COC(C)(C)CC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425533427 532950373 /nfs/dbraw/zinc/95/03/73/532950373.db2.gz KTVIWZSAVSQMFR-CYBMUJFWSA-N 1 1 260.381 3.366 20 30 CGEDMO CO[C@@]1(C)CCC[N@@H+](Cc2cc(C#N)cs2)CC1 ZINC000336465871 533026377 /nfs/dbraw/zinc/02/63/77/533026377.db2.gz IOYWDRRCFCJPRA-AWEZNQCLSA-N 1 1 264.394 3.011 20 30 CGEDMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@H+]2Cc2cccc(C#N)c2)C1 ZINC000281104227 195105945 /nfs/dbraw/zinc/10/59/45/195105945.db2.gz AQCFTEVYEXILAY-FDPIWHGQSA-N 1 1 298.430 3.320 20 30 CGEDMO Cn1ccc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000335365899 208284120 /nfs/dbraw/zinc/28/41/20/208284120.db2.gz HNPSYZGQXMYDBR-UHFFFAOYSA-N 1 1 277.371 3.186 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)o1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000353748547 220300823 /nfs/dbraw/zinc/30/08/23/220300823.db2.gz QQZKMCXMMGQVST-ARFHVFGLSA-N 1 1 288.391 3.177 20 30 CGEDMO CC(C)c1nc([C@@H]2CCC[N@H+]([C@@H]3CC[C@H](C#N)C3)C2)no1 ZINC000328719001 542445273 /nfs/dbraw/zinc/44/52/73/542445273.db2.gz GCPFNNQWFMCVDZ-BFHYXJOUSA-N 1 1 288.395 3.065 20 30 CGEDMO C[C@@H](NCC[N@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1F ZINC000358571170 533395242 /nfs/dbraw/zinc/39/52/42/533395242.db2.gz OMVWELWHOIWIEW-UONOGXRCSA-N 1 1 289.398 3.222 20 30 CGEDMO C[C@@H]([NH2+]CCN1CCCC[C@@H]1C)c1ccc(C#N)cc1F ZINC000358571170 533395248 /nfs/dbraw/zinc/39/52/48/533395248.db2.gz OMVWELWHOIWIEW-UONOGXRCSA-N 1 1 289.398 3.222 20 30 CGEDMO C[C@@H]([NH2+]Cc1cccc2c1OCO2)c1ccc(C#N)cc1F ZINC000358568339 533457781 /nfs/dbraw/zinc/45/77/81/533457781.db2.gz KSGHGJFGWGYAMB-LLVKDONJSA-N 1 1 298.317 3.277 20 30 CGEDMO N#Cc1ccccc1OCC[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000060464033 392120650 /nfs/dbraw/zinc/12/06/50/392120650.db2.gz IDUSJTPUTSGVMM-ZDUSSCGKSA-N 1 1 298.308 3.211 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2ccc(OC)nn2)CCCC1(C)C ZINC000282543402 392292125 /nfs/dbraw/zinc/29/21/25/392292125.db2.gz RPDBVYNQXPJULE-AWEZNQCLSA-N 1 1 275.396 3.052 20 30 CGEDMO C=CCCC[N@H+](C)Cc1c(C)nn(-c2ccccn2)c1C ZINC000282824389 392295153 /nfs/dbraw/zinc/29/51/53/392295153.db2.gz PRNQWSNJZSZOCI-UHFFFAOYSA-N 1 1 284.407 3.282 20 30 CGEDMO C=CCCC(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000285888791 392344727 /nfs/dbraw/zinc/34/47/27/392344727.db2.gz BVBRGDQXNIUDLC-MRXNPFEDSA-N 1 1 298.386 3.193 20 30 CGEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000247159118 131101557 /nfs/dbraw/zinc/10/15/57/131101557.db2.gz XXZDYAFYBOBBMR-WMLDXEAASA-N 1 1 297.402 3.151 20 30 CGEDMO C[C@@H]1CCC[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000124365043 392433555 /nfs/dbraw/zinc/43/35/55/392433555.db2.gz LILAVGDGFJHEKZ-CQSZACIVSA-N 1 1 257.381 3.021 20 30 CGEDMO Cc1cnn([C@@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)c1 ZINC000289867662 392434486 /nfs/dbraw/zinc/43/44/86/392434486.db2.gz LOAMRSOGOQTFFL-QGZVFWFLSA-N 1 1 299.805 3.143 20 30 CGEDMO Cc1nc(CC[N@@H+](CCC#N)CCC(C)C)cs1 ZINC000124933831 392436518 /nfs/dbraw/zinc/43/65/18/392436518.db2.gz HSPLPXJLPOLRBT-UHFFFAOYSA-N 1 1 265.426 3.256 20 30 CGEDMO Cc1nc(CC[N@H+](CCC#N)CCC(C)C)cs1 ZINC000124933831 392436522 /nfs/dbraw/zinc/43/65/22/392436522.db2.gz HSPLPXJLPOLRBT-UHFFFAOYSA-N 1 1 265.426 3.256 20 30 CGEDMO C=CCOc1cccc(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)c1 ZINC000290579178 392450659 /nfs/dbraw/zinc/45/06/59/392450659.db2.gz UKMCVGHHTPIZJF-QAPCUYQASA-N 1 1 288.435 3.023 20 30 CGEDMO C=CCOc1cccc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000290579178 392450683 /nfs/dbraw/zinc/45/06/83/392450683.db2.gz UKMCVGHHTPIZJF-QAPCUYQASA-N 1 1 288.435 3.023 20 30 CGEDMO C=CCOc1cccc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000290579178 392450688 /nfs/dbraw/zinc/45/06/88/392450688.db2.gz UKMCVGHHTPIZJF-QAPCUYQASA-N 1 1 288.435 3.023 20 30 CGEDMO COc1ccc(C[N@H+](C)Cc2cc(C#N)ccc2OC)cc1 ZINC000153629778 392524138 /nfs/dbraw/zinc/52/41/38/392524138.db2.gz NKHRBVITEFNPLL-UHFFFAOYSA-N 1 1 296.370 3.207 20 30 CGEDMO COc1ccc(C[N@@H+](C)Cc2cc(C#N)ccc2OC)cc1 ZINC000153629778 392524141 /nfs/dbraw/zinc/52/41/41/392524141.db2.gz NKHRBVITEFNPLL-UHFFFAOYSA-N 1 1 296.370 3.207 20 30 CGEDMO C[C@H]1C[C@@H](N(C)CC#Cc2cccc(Cl)c2)CC[N@H+]1C ZINC000154297965 392535535 /nfs/dbraw/zinc/53/55/35/392535535.db2.gz NKFJILQXFUOAIX-YOEHRIQHSA-N 1 1 290.838 3.106 20 30 CGEDMO C=CC[N@@H+]1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000372511854 392615862 /nfs/dbraw/zinc/61/58/62/392615862.db2.gz GOFMOIWFOHLQFB-UHFFFAOYSA-N 1 1 294.439 3.286 20 30 CGEDMO COCC[C@H]1CCCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000372100793 392583386 /nfs/dbraw/zinc/58/33/86/392583386.db2.gz FBBZMNCHQTWFDZ-QGZVFWFLSA-N 1 1 289.394 3.316 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000374179505 392670952 /nfs/dbraw/zinc/67/09/52/392670952.db2.gz UCKDDDLNXYSNOR-DEQVHRJGSA-N 1 1 257.805 3.000 20 30 CGEDMO C[C@@H]1COCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000374349985 392676626 /nfs/dbraw/zinc/67/66/26/392676626.db2.gz AZEBUEZPEMHPNZ-ZDUSSCGKSA-N 1 1 297.320 3.025 20 30 CGEDMO C[C@]1(c2ccc(F)cc2)CC[N@@H+](CCCSCC#N)C1 ZINC000373791135 392663438 /nfs/dbraw/zinc/66/34/38/392663438.db2.gz JRFVHKRPYRTZTD-INIZCTEOSA-N 1 1 292.423 3.436 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(C(=O)OC(C)C)cc1 ZINC000181290555 392726525 /nfs/dbraw/zinc/72/65/25/392726525.db2.gz RQOCCVMMTABSAD-UHFFFAOYSA-N 1 1 261.365 3.260 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cnc(C)cn1 ZINC000505822193 392699415 /nfs/dbraw/zinc/69/94/15/392699415.db2.gz WFPVBRLMIZLSIO-UHFFFAOYSA-N 1 1 280.375 3.069 20 30 CGEDMO N#C[C@H]1CC[C@H]([N@H+]2CCOC3(C2)CCCCCC3)C1 ZINC000334325257 392721023 /nfs/dbraw/zinc/72/10/23/392721023.db2.gz GBAKQHHEGXDQMA-GJZGRUSLSA-N 1 1 262.397 3.104 20 30 CGEDMO CC1(C)C[NH+](Cc2ccc(C#N)c(F)c2)CC(C)(C)O1 ZINC000192216294 392843617 /nfs/dbraw/zinc/84/36/17/392843617.db2.gz XAODGTAFAWIUHQ-UHFFFAOYSA-N 1 1 276.355 3.087 20 30 CGEDMO CC#CC[N@@H+](C)[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000519762756 392892107 /nfs/dbraw/zinc/89/21/07/392892107.db2.gz CCYRAMLKSIUWTQ-NSHDSACASA-N 1 1 253.292 3.304 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC=C(c3ccccn3)C2)cc1 ZINC000520327027 392919281 /nfs/dbraw/zinc/91/92/81/392919281.db2.gz HFMDDXXMIRUSMS-UHFFFAOYSA-N 1 1 275.355 3.243 20 30 CGEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCO1 ZINC000338938982 392935597 /nfs/dbraw/zinc/93/55/97/392935597.db2.gz OUPVBIXIKLSUEX-QGZVFWFLSA-N 1 1 272.392 3.195 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@@H]1c1ccc(C)s1 ZINC000339003169 392939558 /nfs/dbraw/zinc/93/95/58/392939558.db2.gz XRZPZOASFDOAIG-CYBMUJFWSA-N 1 1 251.395 3.396 20 30 CGEDMO Cc1ccc([C@H]2CCC[C@H]2[N@@H+](C)CCOCCC#N)cc1 ZINC000339006693 392939848 /nfs/dbraw/zinc/93/98/48/392939848.db2.gz ZMPPCSMCGXXNFQ-QZTJIDSGSA-N 1 1 286.419 3.493 20 30 CGEDMO C=CCOCC[N@@H+]1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000339002840 392939981 /nfs/dbraw/zinc/93/99/81/392939981.db2.gz LQTYGZTXYCRNHF-GDBMZVCRSA-N 1 1 277.433 3.368 20 30 CGEDMO CC(C)C[C@H]1CCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000396870573 392943683 /nfs/dbraw/zinc/94/36/83/392943683.db2.gz NWZRSWOLNJNROI-QGZVFWFLSA-N 1 1 299.418 3.397 20 30 CGEDMO COc1ccc(C[N@@H+]2CCC(F)(F)C[C@@H]2C)cc1C#N ZINC000528774687 392971174 /nfs/dbraw/zinc/97/11/74/392971174.db2.gz VNPSZSRENPPVAD-NSHDSACASA-N 1 1 280.318 3.186 20 30 CGEDMO COc1ccc(C[N@H+]2CCC(F)(F)C[C@@H]2C)cc1C#N ZINC000528774687 392971179 /nfs/dbraw/zinc/97/11/79/392971179.db2.gz VNPSZSRENPPVAD-NSHDSACASA-N 1 1 280.318 3.186 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1csc(C(=O)OC)c1 ZINC000411658885 392983749 /nfs/dbraw/zinc/98/37/49/392983749.db2.gz XQSLOYKTHOARID-LBPRGKRZSA-N 1 1 265.378 3.075 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1csc(C(=O)OC)c1 ZINC000411658885 392983762 /nfs/dbraw/zinc/98/37/62/392983762.db2.gz XQSLOYKTHOARID-LBPRGKRZSA-N 1 1 265.378 3.075 20 30 CGEDMO CCN1C[C@H](C)[NH+](CCC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000411723050 392986763 /nfs/dbraw/zinc/98/67/63/392986763.db2.gz RXDACKQUZOJPQX-HOTGVXAUSA-N 1 1 277.456 3.265 20 30 CGEDMO CC[N@H+]1C[C@H](C)[C@H](Nc2cccc(OCCCC#N)c2)C1 ZINC000342912104 393012789 /nfs/dbraw/zinc/01/27/89/393012789.db2.gz PKTHLJNPSKEFCR-WMLDXEAASA-N 1 1 287.407 3.121 20 30 CGEDMO N#CC1(C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)CC1 ZINC000343314313 393024818 /nfs/dbraw/zinc/02/48/18/393024818.db2.gz MOJCNQXJYDJITO-INIZCTEOSA-N 1 1 254.377 3.245 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)Cc1ccc(F)cn1 ZINC000345772027 393070181 /nfs/dbraw/zinc/07/01/81/393070181.db2.gz NPQSNRRIJMQONH-UHFFFAOYSA-N 1 1 256.324 3.409 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(F)cn1 ZINC000345772027 393070186 /nfs/dbraw/zinc/07/01/86/393070186.db2.gz NPQSNRRIJMQONH-UHFFFAOYSA-N 1 1 256.324 3.409 20 30 CGEDMO Cc1cc(C[N@@H+](C)C[C@@H](C)C#N)cc2cccnc12 ZINC000346174016 393078473 /nfs/dbraw/zinc/07/84/73/393078473.db2.gz CITOJWBEMYAIOA-LBPRGKRZSA-N 1 1 253.349 3.135 20 30 CGEDMO Cc1cc(C[N@H+](C)C[C@@H](C)C#N)cc2cccnc12 ZINC000346174016 393078481 /nfs/dbraw/zinc/07/84/81/393078481.db2.gz CITOJWBEMYAIOA-LBPRGKRZSA-N 1 1 253.349 3.135 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000346243493 393079922 /nfs/dbraw/zinc/07/99/22/393079922.db2.gz STHHNRFENYTMAU-GXTWGEPZSA-N 1 1 275.396 3.481 20 30 CGEDMO CC[N@H+](CCC#N)Cc1cc(C)c2ncccc2c1 ZINC000346224983 393080473 /nfs/dbraw/zinc/08/04/73/393080473.db2.gz VKUZLQIIPUCGIK-UHFFFAOYSA-N 1 1 253.349 3.279 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1cc(C)c2ncccc2c1 ZINC000346224983 393080482 /nfs/dbraw/zinc/08/04/82/393080482.db2.gz VKUZLQIIPUCGIK-UHFFFAOYSA-N 1 1 253.349 3.279 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCCC2(CCC2)C1 ZINC000348183205 393116050 /nfs/dbraw/zinc/11/60/50/393116050.db2.gz SVNXYNJOLGWIGT-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](CC)C[C@H](C)O)cc1Cl ZINC000348713378 393128682 /nfs/dbraw/zinc/12/86/82/393128682.db2.gz KRNVZIQTXWMHBI-LBPRGKRZSA-N 1 1 283.799 3.108 20 30 CGEDMO C[C@@H](c1cnn(C)c1)[N@H+](C)CC#Cc1ccccc1Cl ZINC000348915319 393135812 /nfs/dbraw/zinc/13/58/12/393135812.db2.gz BQLQGGZFMAMYLW-ZDUSSCGKSA-N 1 1 287.794 3.118 20 30 CGEDMO C[C@@H](c1cnn(C)c1)[N@@H+](C)CC#Cc1ccccc1Cl ZINC000348915319 393135818 /nfs/dbraw/zinc/13/58/18/393135818.db2.gz BQLQGGZFMAMYLW-ZDUSSCGKSA-N 1 1 287.794 3.118 20 30 CGEDMO COCc1ccccc1/C=C(/C)C[N@H+](C)[C@@H](C)CC#N ZINC000351392859 393188554 /nfs/dbraw/zinc/18/85/54/393188554.db2.gz BILKDJSSHHYJNX-SZGZABIGSA-N 1 1 272.392 3.470 20 30 CGEDMO COCc1ccccc1/C=C(/C)C[N@@H+](C)[C@@H](C)CC#N ZINC000351392859 393188556 /nfs/dbraw/zinc/18/85/56/393188556.db2.gz BILKDJSSHHYJNX-SZGZABIGSA-N 1 1 272.392 3.470 20 30 CGEDMO C=CCCCCC[NH2+][C@H](Cc1ccccc1)[C@@H](C)N ZINC000570696392 393197828 /nfs/dbraw/zinc/19/78/28/393197828.db2.gz LOCFAWJQCFROON-NVXWUHKLSA-N 1 1 260.425 3.281 20 30 CGEDMO CC[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccc(C#N)cc1 ZINC000278249361 393315605 /nfs/dbraw/zinc/31/56/05/393315605.db2.gz MLJMUVFINADHJX-CRAIPNDOSA-N 1 1 283.419 3.083 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000595844004 542771588 /nfs/dbraw/zinc/77/15/88/542771588.db2.gz OJAWJPAEBHGBSV-CQSZACIVSA-N 1 1 250.292 3.360 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000595844004 542771591 /nfs/dbraw/zinc/77/15/91/542771591.db2.gz OJAWJPAEBHGBSV-CQSZACIVSA-N 1 1 250.292 3.360 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H](O)CC1CCCC1 ZINC000475044868 393366586 /nfs/dbraw/zinc/36/65/86/393366586.db2.gz CNCVGABWSKWYNX-LJQANCHMSA-N 1 1 298.430 3.487 20 30 CGEDMO Cc1cc(C[N@@H+](CCO)CC2CCCCC2)ccc1C#N ZINC000488085905 393455727 /nfs/dbraw/zinc/45/57/27/393455727.db2.gz SZPMXGAZSPYBFB-UHFFFAOYSA-N 1 1 286.419 3.241 20 30 CGEDMO Cc1cc(C[N@@H+](C)CCC(=O)OC(C)(C)C)ccc1C#N ZINC000488217360 393471285 /nfs/dbraw/zinc/47/12/85/393471285.db2.gz NIJQGPVYKKLBPS-UHFFFAOYSA-N 1 1 288.391 3.030 20 30 CGEDMO C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000488316566 393485542 /nfs/dbraw/zinc/48/55/42/393485542.db2.gz GJYVFAZCPNEWAX-MWQQHZPXSA-N 1 1 254.377 3.414 20 30 CGEDMO COc1ccc(C[N@@H+]2CCC[C@](C)(C#N)C2)cc1C ZINC000612406148 542775665 /nfs/dbraw/zinc/77/56/65/542775665.db2.gz JFRYHYHSFJWLDX-MRXNPFEDSA-N 1 1 258.365 3.129 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@](C)(C#N)C2)cc1C ZINC000612406148 542775666 /nfs/dbraw/zinc/77/56/66/542775666.db2.gz JFRYHYHSFJWLDX-MRXNPFEDSA-N 1 1 258.365 3.129 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccccc2F)no1 ZINC000489494685 393600346 /nfs/dbraw/zinc/60/03/46/393600346.db2.gz VWVFQZYOFXHLRF-GFCCVEGCSA-N 1 1 287.338 3.416 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccccc2F)no1 ZINC000489494685 393600351 /nfs/dbraw/zinc/60/03/51/393600351.db2.gz VWVFQZYOFXHLRF-GFCCVEGCSA-N 1 1 287.338 3.416 20 30 CGEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)C1(C)CCCC1 ZINC000490239262 393636884 /nfs/dbraw/zinc/63/68/84/393636884.db2.gz HHXQOPCSRFSMEH-UHFFFAOYSA-N 1 1 288.391 3.210 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+](CC)C[C@@H](C)OC ZINC000361016857 393643033 /nfs/dbraw/zinc/64/30/33/393643033.db2.gz JUYRGHOFHLSQGA-CQSZACIVSA-N 1 1 263.381 3.108 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](CC)C[C@H](C)OC)cc1 ZINC000361019509 393644073 /nfs/dbraw/zinc/64/40/73/393644073.db2.gz ZYADIBJULJSMOV-AWEZNQCLSA-N 1 1 263.381 3.108 20 30 CGEDMO CC(C)C[C@@H](C[NH3+])N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000423272900 393657810 /nfs/dbraw/zinc/65/78/10/393657810.db2.gz ZPPMOZJNRJKSIV-FUHWJXTLSA-N 1 1 285.435 3.289 20 30 CGEDMO COc1cc(C[N@H+]2CC3(CCC3)C[C@@H]2C)ccc1C#N ZINC000443072588 393743015 /nfs/dbraw/zinc/74/30/15/393743015.db2.gz VABJDJGOGVDKHD-ZDUSSCGKSA-N 1 1 270.376 3.331 20 30 CGEDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000443340732 393752974 /nfs/dbraw/zinc/75/29/74/393752974.db2.gz BGXYAHBMNULEJE-HSMVNMDESA-N 1 1 292.810 3.193 20 30 CGEDMO Cc1cc(C[NH2+]CCN2[C@@H](C)CCC[C@@H]2C)ccc1C#N ZINC000443970417 393779407 /nfs/dbraw/zinc/77/94/07/393779407.db2.gz ICSISJVMCXAQTH-HOTGVXAUSA-N 1 1 285.435 3.219 20 30 CGEDMO COc1ccc(C)cc1[C@@H](C)[NH2+]CC1(C#N)CCC1 ZINC000450662576 394032657 /nfs/dbraw/zinc/03/26/57/394032657.db2.gz QMYQHCGNPXOEJC-CYBMUJFWSA-N 1 1 258.365 3.348 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NC3CC3)cc2)C1 ZINC000668494043 543020054 /nfs/dbraw/zinc/02/00/54/543020054.db2.gz UNSOEYDOMKVHQR-HNNXBMFYSA-N 1 1 298.430 3.367 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cnc3nc(C)cc(C)n23)C1 ZINC000668493567 543020103 /nfs/dbraw/zinc/02/01/03/543020103.db2.gz PBXFLJPVGRBCLL-HNNXBMFYSA-N 1 1 284.407 3.134 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2c(C3CC3)cnn2C)C1 ZINC000668493682 543020653 /nfs/dbraw/zinc/02/06/53/543020653.db2.gz QKBPRGXOZHSLRZ-ZDUSSCGKSA-N 1 1 259.397 3.086 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccnn2CC(C)C)C1 ZINC000668492542 543020854 /nfs/dbraw/zinc/02/08/54/543020854.db2.gz CPIHYJBODCBLGD-OAHLLOKOSA-N 1 1 261.413 3.327 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2C[C@]3(C)COC[C@]3(C)C2)cc1 ZINC000668516469 543022574 /nfs/dbraw/zinc/02/25/74/543022574.db2.gz SEXRVLNNZAPYOG-HDICACEKSA-N 1 1 287.403 3.110 20 30 CGEDMO OCC[C@@H]1CCCCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000671248305 543165023 /nfs/dbraw/zinc/16/50/23/543165023.db2.gz PTTMWGDYXSXYFE-KRWDZBQOSA-N 1 1 291.822 3.319 20 30 CGEDMO CCCCC[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000117871972 397655870 /nfs/dbraw/zinc/65/58/70/397655870.db2.gz YZCASTDOTDSIRA-UHFFFAOYSA-N 1 1 285.435 3.256 20 30 CGEDMO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@@H]1CCOC1 ZINC000047698638 397634408 /nfs/dbraw/zinc/63/44/08/397634408.db2.gz KRNSSOUGSKFPGB-NSHDSACASA-N 1 1 271.813 3.426 20 30 CGEDMO C=C(CNC1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000675784124 543364855 /nfs/dbraw/zinc/36/48/55/543364855.db2.gz UZGVSIYOAFPQOJ-UHFFFAOYSA-N 1 1 270.420 3.164 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+](C)Cc1cccc2ccccc21 ZINC000677047670 543427668 /nfs/dbraw/zinc/42/76/68/543427668.db2.gz FJJQNZQCWJQDGF-KRWDZBQOSA-N 1 1 255.361 3.209 20 30 CGEDMO COCC#CC[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000678780053 543557422 /nfs/dbraw/zinc/55/74/22/543557422.db2.gz DTUPNSVQZAVHHD-JTQLQIEISA-N 1 1 272.175 3.294 20 30 CGEDMO C=CC[N@H+](CCc1nc2ccccc2n1C)C(C)C ZINC000736308345 572780704 /nfs/dbraw/zinc/78/07/04/572780704.db2.gz IHBZWCSVQCFHJA-UHFFFAOYSA-N 1 1 257.381 3.012 20 30 CGEDMO CCCC[N@@H+](CC)CCOc1ccc(C#N)cc1OC ZINC000077250620 165118403 /nfs/dbraw/zinc/11/84/03/165118403.db2.gz IMCRODUKSOYVAO-UHFFFAOYSA-N 1 1 276.380 3.068 20 30 CGEDMO CC[N@@H+](CCOc1ccc(C#N)cc1OC)[C@@H](C)C(C)C ZINC000077655303 165123000 /nfs/dbraw/zinc/12/30/00/165123000.db2.gz ZXFSEXBJNLPSIF-AWEZNQCLSA-N 1 1 290.407 3.312 20 30 CGEDMO C[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000091988764 165279870 /nfs/dbraw/zinc/27/98/70/165279870.db2.gz XMZFFDQLKFEHNE-LBPRGKRZSA-N 1 1 269.323 3.285 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+](C)[C@H](C)c1cccnc1 ZINC000093234893 165325986 /nfs/dbraw/zinc/32/59/86/165325986.db2.gz PQPPAFWCVSWTHC-CYBMUJFWSA-N 1 1 281.359 3.155 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000093234893 165325988 /nfs/dbraw/zinc/32/59/88/165325988.db2.gz PQPPAFWCVSWTHC-CYBMUJFWSA-N 1 1 281.359 3.155 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158698098 287131225 /nfs/dbraw/zinc/13/12/25/287131225.db2.gz HZDJQWPMSQSDIB-BMGDILEWSA-N 1 1 283.419 3.035 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158698098 287131229 /nfs/dbraw/zinc/13/12/29/287131229.db2.gz HZDJQWPMSQSDIB-BMGDILEWSA-N 1 1 283.419 3.035 20 30 CGEDMO Cn1cc(C[N@H+]2CCC=C(c3ccccc3)C2)cc1C#N ZINC000284958041 196163837 /nfs/dbraw/zinc/16/38/37/196163837.db2.gz HVXKXODXQKNDTI-UHFFFAOYSA-N 1 1 277.371 3.186 20 30 CGEDMO C[N@@H+](CCc1ccccc1)Cc1cc(C#N)cs1 ZINC000126467429 287265584 /nfs/dbraw/zinc/26/55/84/287265584.db2.gz DUFHQHNOUJBYMP-UHFFFAOYSA-N 1 1 256.374 3.294 20 30 CGEDMO CSCC[C@@H](C)[N@@H+](C)Cc1cn2ccccc2c1C#N ZINC000126437009 287264900 /nfs/dbraw/zinc/26/49/00/287264900.db2.gz CTRWKMUUXFBYJK-CYBMUJFWSA-N 1 1 287.432 3.384 20 30 CGEDMO C[N@H+]1CCC[C@H](CNc2ccc(C(F)(F)F)cc2C#N)C1 ZINC000044539067 175200726 /nfs/dbraw/zinc/20/07/26/175200726.db2.gz RBBSGGNYCMREIB-LLVKDONJSA-N 1 1 297.324 3.331 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1cn2cccc(F)c2n1 ZINC000679364663 543630089 /nfs/dbraw/zinc/63/00/89/543630089.db2.gz JQHUXSWOFCQQKB-UHFFFAOYSA-N 1 1 299.349 3.297 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cn2cccc(F)c2n1 ZINC000679364663 543630093 /nfs/dbraw/zinc/63/00/93/543630093.db2.gz JQHUXSWOFCQQKB-UHFFFAOYSA-N 1 1 299.349 3.297 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CCc2ccc(C(C)(C)C)cc2C1 ZINC000679674857 543655890 /nfs/dbraw/zinc/65/58/90/543655890.db2.gz USFWAHVBHOQQCC-QGZVFWFLSA-N 1 1 273.420 3.279 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cc(Cl)cc2c1OCC2 ZINC000680000072 543674241 /nfs/dbraw/zinc/67/42/41/543674241.db2.gz CNIWWRYFSPQUKV-UHFFFAOYSA-N 1 1 251.757 3.283 20 30 CGEDMO CCC#C[C@H](C)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000681412722 543787298 /nfs/dbraw/zinc/78/72/98/543787298.db2.gz RLDQYYYZDRRBHU-ZIFCJYIRSA-N 1 1 284.447 3.289 20 30 CGEDMO CCC#C[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000681412722 543787300 /nfs/dbraw/zinc/78/73/00/543787300.db2.gz RLDQYYYZDRRBHU-ZIFCJYIRSA-N 1 1 284.447 3.289 20 30 CGEDMO Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCC(C#N)CC1 ZINC000334847194 225336915 /nfs/dbraw/zinc/33/69/15/225336915.db2.gz GMTYETDUDSGIBV-UHFFFAOYSA-N 1 1 298.365 3.055 20 30 CGEDMO COc1cccc(OCC[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000130878716 287365440 /nfs/dbraw/zinc/36/54/40/287365440.db2.gz QOVQHPXOMFLHQW-UHFFFAOYSA-N 1 1 296.370 3.078 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CCc2c(cccc2C(C)C)C1 ZINC000682778985 543867934 /nfs/dbraw/zinc/86/79/34/543867934.db2.gz ANBAHXQPLSRNFN-KRWDZBQOSA-N 1 1 259.393 3.105 20 30 CGEDMO C[C@@H]1c2ccccc2OCC[N@H+]1CC#Cc1ccccc1 ZINC000683016859 543889572 /nfs/dbraw/zinc/88/95/72/543889572.db2.gz UVGQHCHQBREZLR-MRXNPFEDSA-N 1 1 277.367 3.494 20 30 CGEDMO C[C@@H]1c2ccccc2OCC[N@@H+]1CC#Cc1ccccc1 ZINC000683016859 543889575 /nfs/dbraw/zinc/88/95/75/543889575.db2.gz UVGQHCHQBREZLR-MRXNPFEDSA-N 1 1 277.367 3.494 20 30 CGEDMO COCC[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1ccco1 ZINC000347942384 226394301 /nfs/dbraw/zinc/39/43/01/226394301.db2.gz ZGPZEENHKRUSKA-CQSZACIVSA-N 1 1 288.322 3.158 20 30 CGEDMO C[C@H]1C[C@H](C[N@@H+](CCC#N)CC(C)(C)C)CCO1 ZINC000352690402 227161687 /nfs/dbraw/zinc/16/16/87/227161687.db2.gz DTMTULJJHPERRF-UONOGXRCSA-N 1 1 252.402 3.063 20 30 CGEDMO C=CCCCCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000655247046 419032818 /nfs/dbraw/zinc/03/28/18/419032818.db2.gz YYRSPUFLWJOSBM-INIZCTEOSA-N 1 1 274.408 3.152 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1cc(Br)cnc1OC ZINC000659828532 419004345 /nfs/dbraw/zinc/00/43/45/419004345.db2.gz FLVGCHSOQIITHV-UHFFFAOYSA-N 1 1 299.212 3.251 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(Br)cnc1OC ZINC000659828532 419004347 /nfs/dbraw/zinc/00/43/47/419004347.db2.gz FLVGCHSOQIITHV-UHFFFAOYSA-N 1 1 299.212 3.251 20 30 CGEDMO C=CCOc1ccc(C[NH2+][C@H]2CCCn3ccnc32)cc1 ZINC000655767154 419091760 /nfs/dbraw/zinc/09/17/60/419091760.db2.gz RDEBMTYWMAATEN-INIZCTEOSA-N 1 1 283.375 3.073 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CCC[C@@H]2CCCCC)nn1 ZINC000653571110 419052450 /nfs/dbraw/zinc/05/24/50/419052450.db2.gz XEGVJZNTHACAQV-INIZCTEOSA-N 1 1 276.428 3.399 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC)nn1 ZINC000653582191 419053294 /nfs/dbraw/zinc/05/32/94/419053294.db2.gz BCDCQRQOIAURDR-GDBMZVCRSA-N 1 1 276.428 3.255 20 30 CGEDMO C=CC(C)(C)c1nc(CCCCn2c[nH+]c(C)c2C)no1 ZINC000656039000 419134488 /nfs/dbraw/zinc/13/44/88/419134488.db2.gz JIJZPIYQUBITIS-UHFFFAOYSA-N 1 1 288.395 3.369 20 30 CGEDMO C=C(CC)Cn1cc([C@H]([NH3+])c2ccc(Cl)cc2F)nn1 ZINC000656453788 419172329 /nfs/dbraw/zinc/17/23/29/419172329.db2.gz WODIXFXWMCUJQT-CQSZACIVSA-N 1 1 294.761 3.085 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000660662695 419178872 /nfs/dbraw/zinc/17/88/72/419178872.db2.gz LLRQXAUCKSDFFM-MRXNPFEDSA-N 1 1 250.430 3.151 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000660662695 419178875 /nfs/dbraw/zinc/17/88/75/419178875.db2.gz LLRQXAUCKSDFFM-MRXNPFEDSA-N 1 1 250.430 3.151 20 30 CGEDMO C=CC[N@@H+](CC1CCC(F)(F)CC1)[C@H](C)COC ZINC000661240950 419243198 /nfs/dbraw/zinc/24/31/98/419243198.db2.gz UKMPBIJPNJOUEE-GFCCVEGCSA-N 1 1 261.356 3.335 20 30 CGEDMO C=CC[N@@H+](Cc1cc(F)ccc1C)[C@@H](C)COC ZINC000661238953 419243273 /nfs/dbraw/zinc/24/32/73/419243273.db2.gz AQKWWODLKKDJIV-ZDUSSCGKSA-N 1 1 251.345 3.157 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000661379848 419255424 /nfs/dbraw/zinc/25/54/24/419255424.db2.gz IYLSBGQWLRGNTI-CRAIPNDOSA-N 1 1 298.430 3.294 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cn(C)nc2C(F)F)C1 ZINC000661384985 419255462 /nfs/dbraw/zinc/25/54/62/419255462.db2.gz MPPGFRDKVXHVCD-NSHDSACASA-N 1 1 269.339 3.146 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000656786856 419219667 /nfs/dbraw/zinc/21/96/67/419219667.db2.gz BQFPPUSLGBOBMR-AWEZNQCLSA-N 1 1 256.393 3.443 20 30 CGEDMO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1noc(C(C)C)n1 ZINC000661116025 419232008 /nfs/dbraw/zinc/23/20/08/419232008.db2.gz GXNYTFUCGMPBSM-QWHCGFSZSA-N 1 1 263.385 3.418 20 30 CGEDMO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1noc(CCC)n1 ZINC000661115118 419232257 /nfs/dbraw/zinc/23/22/57/419232257.db2.gz AFYCOWDYMUMVTF-STQMWFEESA-N 1 1 263.385 3.247 20 30 CGEDMO C=CC[N@H+](CC(=O)N([C@H](C)C1CC1)C1CC1)C(C)(C)C ZINC000661756273 419295238 /nfs/dbraw/zinc/29/52/38/419295238.db2.gz IKVGLXUVGTXWJS-CYBMUJFWSA-N 1 1 278.440 3.062 20 30 CGEDMO C[C@@H]1C[NH+](CCC2(C#N)CCCCC2)C[C@@H](C)C1=O ZINC000661538232 419271315 /nfs/dbraw/zinc/27/13/15/419271315.db2.gz HFLAPIQHHZCABP-ZIAGYGMSSA-N 1 1 262.397 3.007 20 30 CGEDMO Cc1cc(C)n(-c2ccc(C[NH2+][C@@H]3CCC[C@@H]3C#N)cc2)n1 ZINC000331605110 228114637 /nfs/dbraw/zinc/11/46/37/228114637.db2.gz BLEBPSADQRYZEK-SJLPKXTDSA-N 1 1 294.402 3.271 20 30 CGEDMO Cc1noc([C@@H]2CCCC[N@@H+]2CCCC(C)(C)C#N)n1 ZINC000353549307 228119028 /nfs/dbraw/zinc/11/90/28/228119028.db2.gz JQKDSZJDETVMIR-ZDUSSCGKSA-N 1 1 276.384 3.235 20 30 CGEDMO Cc1noc([C@@H]2CCCC[N@H+]2CCCC(C)(C)C#N)n1 ZINC000353549307 228119029 /nfs/dbraw/zinc/11/90/29/228119029.db2.gz JQKDSZJDETVMIR-ZDUSSCGKSA-N 1 1 276.384 3.235 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCOCC(F)(F)F ZINC000662080820 419333061 /nfs/dbraw/zinc/33/30/61/419333061.db2.gz QSCPTXWVVFDKJT-TXEJJXNPSA-N 1 1 263.303 3.138 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1cccc(C)c1C ZINC000662081902 419333547 /nfs/dbraw/zinc/33/35/47/419333547.db2.gz YIWTYODELZXEIZ-IYBDPMFKSA-N 1 1 284.403 3.425 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1csc(N(C)C2CC2)n1 ZINC000662085580 419334221 /nfs/dbraw/zinc/33/42/21/419334221.db2.gz HNJPPEVMWKPQRM-GASCZTMLSA-N 1 1 289.448 3.425 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCOc2ccc(O)cc2C1 ZINC000662095824 419335458 /nfs/dbraw/zinc/33/54/58/419335458.db2.gz IJYJGAKGAIISLS-ZDUSSCGKSA-N 1 1 261.365 3.331 20 30 CGEDMO C=C(C)[C@H]1OCC[C@H]1CNc1[nH+]ccc2c(N)cccc21 ZINC000663870379 419746951 /nfs/dbraw/zinc/74/69/51/419746951.db2.gz UBRFHGZCZSXUPY-BLLLJJGKSA-N 1 1 283.375 3.210 20 30 CGEDMO C[N@@H+](CCCOc1ccccc1)CCCSCC#N ZINC000080626459 260317416 /nfs/dbraw/zinc/31/74/16/260317416.db2.gz RSVIRFKSJLQLKF-UHFFFAOYSA-N 1 1 278.421 3.034 20 30 CGEDMO C[C@H]1CN(C)c2ccccc2C[N@H+]1CCCCC#N ZINC000083248523 260347346 /nfs/dbraw/zinc/34/73/46/260347346.db2.gz CJVSYHHGKAQTDH-AWEZNQCLSA-N 1 1 257.381 3.021 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(Br)cc1 ZINC000132342128 260496763 /nfs/dbraw/zinc/49/67/63/260496763.db2.gz AFSDWXSOMZTHKK-UHFFFAOYSA-N 1 1 254.171 3.457 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000448316503 261109237 /nfs/dbraw/zinc/10/92/37/261109237.db2.gz VXAIBSWGAGECFM-SFHVURJKSA-N 1 1 298.430 3.242 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000448351523 261123515 /nfs/dbraw/zinc/12/35/15/261123515.db2.gz ATPMKUCPELDFNG-QGZVFWFLSA-N 1 1 289.419 3.498 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000448351523 261123517 /nfs/dbraw/zinc/12/35/17/261123517.db2.gz ATPMKUCPELDFNG-QGZVFWFLSA-N 1 1 289.419 3.498 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCCC[C@@H]2C[C@@H](C)O)c1 ZINC000448363734 261127000 /nfs/dbraw/zinc/12/70/00/261127000.db2.gz DCBFIANFVPGREN-NVXWUHKLSA-N 1 1 289.419 3.377 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000300187897 261181360 /nfs/dbraw/zinc/18/13/60/261181360.db2.gz LKJZEPHMMSFKAE-ARFHVFGLSA-N 1 1 278.440 3.332 20 30 CGEDMO CCOC[C@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000174862646 261200302 /nfs/dbraw/zinc/20/03/02/261200302.db2.gz RZFVRAXHRMKKDJ-AWEZNQCLSA-N 1 1 252.402 3.065 20 30 CGEDMO N#CC1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000177082896 261330362 /nfs/dbraw/zinc/33/03/62/261330362.db2.gz IJZXJMCJZLHDFE-UHFFFAOYSA-N 1 1 292.304 3.292 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cn1)[C@H]1CCc2ccccc21 ZINC000491251649 261389216 /nfs/dbraw/zinc/38/92/16/261389216.db2.gz BCAXAAOCZVJUCN-SFHVURJKSA-N 1 1 280.346 3.343 20 30 CGEDMO C#CC[N@H+](Cc1ccc(F)cn1)[C@H]1CCc2ccccc21 ZINC000491251649 261389217 /nfs/dbraw/zinc/38/92/17/261389217.db2.gz BCAXAAOCZVJUCN-SFHVURJKSA-N 1 1 280.346 3.343 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(OC(F)F)c(OC)c1 ZINC000184085717 262008171 /nfs/dbraw/zinc/00/81/71/262008171.db2.gz VFMFBMJMCCYNNR-NSHDSACASA-N 1 1 284.306 3.078 20 30 CGEDMO C=C(Br)C[N@@H+]1CCCC[C@H](CCOC)C1 ZINC000368654689 262199023 /nfs/dbraw/zinc/19/90/23/262199023.db2.gz BJWZSTWBIQCDME-GFCCVEGCSA-N 1 1 276.218 3.034 20 30 CGEDMO N#CCC[NH+]1CCC(c2c[nH]c3cc(F)ccc32)CC1 ZINC000111260978 262258736 /nfs/dbraw/zinc/25/87/36/262258736.db2.gz AANRAHRBJSNJET-UHFFFAOYSA-N 1 1 271.339 3.400 20 30 CGEDMO CC(C)(C#N)CC[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000119980287 262280141 /nfs/dbraw/zinc/28/01/41/262280141.db2.gz ZMPNXKVGIRZHPW-KRWDZBQOSA-N 1 1 272.392 3.174 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000119980287 262280142 /nfs/dbraw/zinc/28/01/42/262280142.db2.gz ZMPNXKVGIRZHPW-KRWDZBQOSA-N 1 1 272.392 3.174 20 30 CGEDMO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000337248457 262440432 /nfs/dbraw/zinc/44/04/32/262440432.db2.gz IUOPNMCTQAGSDP-GOSISDBHSA-N 1 1 294.402 3.213 20 30 CGEDMO C=CCOc1ccc(C[N@H+](CCC)CC(C)(C)O)cc1 ZINC000353416617 263020507 /nfs/dbraw/zinc/02/05/07/263020507.db2.gz PAHRJOJGPYOMKM-UHFFFAOYSA-N 1 1 277.408 3.234 20 30 CGEDMO COCc1ccc([C@@H]2CCC[N@H+]2[C@H]2CC[C@@H](C#N)C2)o1 ZINC000280996175 263065614 /nfs/dbraw/zinc/06/56/14/263065614.db2.gz MFLQZJHVYSORSO-IPYPFGDCSA-N 1 1 274.364 3.255 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000340192931 263087506 /nfs/dbraw/zinc/08/75/06/263087506.db2.gz UODAVKLPXZEFRT-NWDGAFQWSA-N 1 1 292.345 3.094 20 30 CGEDMO CN1CC[N@@H+](CC(C)(C)CCC#N)C[C@H]1Cc1ccccc1 ZINC000285090608 263089958 /nfs/dbraw/zinc/08/99/58/263089958.db2.gz MSAPEFZHTFUVLS-GOSISDBHSA-N 1 1 299.462 3.175 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000289436928 263110167 /nfs/dbraw/zinc/11/01/67/263110167.db2.gz JTCCNUYTBSAJSS-QGZVFWFLSA-N 1 1 297.446 3.453 20 30 CGEDMO C[C@@H]1C[C@H]1c1ccc(C[N@@H+](CCOCCC#N)C2CC2)o1 ZINC000293441009 263140539 /nfs/dbraw/zinc/14/05/39/263140539.db2.gz JXFBIAIDFFCSGP-CZUORRHYSA-N 1 1 288.391 3.298 20 30 CGEDMO C[N@@H+](CCCOc1ccc(F)cc1)[C@@H]1CC[C@H](C#N)C1 ZINC000293610613 263144089 /nfs/dbraw/zinc/14/40/89/263144089.db2.gz VOXJLJUNQJHFJX-DZGCQCFKSA-N 1 1 276.355 3.219 20 30 CGEDMO CCC[N@@H+](CCOCCC#N)[C@H](C)c1ccccc1OC ZINC000293608258 263144184 /nfs/dbraw/zinc/14/41/84/263144184.db2.gz VLLRMHBDRHSDOS-OAHLLOKOSA-N 1 1 290.407 3.398 20 30 CGEDMO C[C@@H]1Cc2[nH+]cn(Cc3ccc(OCC#N)cc3)c2C[C@@H]1C ZINC000296028736 263185016 /nfs/dbraw/zinc/18/50/16/263185016.db2.gz RUIRKLXLRNBSCD-KGLIPLIRSA-N 1 1 295.386 3.205 20 30 CGEDMO C=CC[N@@H+](Cc1cnns1)CC1CCCCC1 ZINC000297521699 263205912 /nfs/dbraw/zinc/20/59/12/263205912.db2.gz OOEPVDNZGPNVND-UHFFFAOYSA-N 1 1 251.399 3.106 20 30 CGEDMO C=CC[N@H+](Cc1cnns1)CC1CCCCC1 ZINC000297521699 263205913 /nfs/dbraw/zinc/20/59/13/263205913.db2.gz OOEPVDNZGPNVND-UHFFFAOYSA-N 1 1 251.399 3.106 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccccc1C ZINC000120113295 263280122 /nfs/dbraw/zinc/28/01/22/263280122.db2.gz BPSCVXGNRHMQER-AWEZNQCLSA-N 1 1 260.381 3.220 20 30 CGEDMO C=CCC[C@@H]([NH2+]Cc1c(C)nn(C)c1OC)c1ccco1 ZINC000353670654 263351667 /nfs/dbraw/zinc/35/16/67/263351667.db2.gz IKVDNPGFQZVOGZ-CQSZACIVSA-N 1 1 289.379 3.127 20 30 CGEDMO N#C[C@@H]1CC[C@H]([NH2+]Cc2cc(-c3ccccc3)on2)C1 ZINC000425953680 264071346 /nfs/dbraw/zinc/07/13/46/264071346.db2.gz SVYAIUAEWQPCLO-OCCSQVGLSA-N 1 1 267.332 3.123 20 30 CGEDMO C=CC[C@@H]1[N@H+](Cc2nc(C(=O)OC)co2)CCCC1(C)C ZINC000331349818 264206399 /nfs/dbraw/zinc/20/63/99/264206399.db2.gz YCGLMMDBMNLWRK-ZDUSSCGKSA-N 1 1 292.379 3.028 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2nc(C(=O)OC)co2)CCCC1(C)C ZINC000331349818 264206401 /nfs/dbraw/zinc/20/64/01/264206401.db2.gz YCGLMMDBMNLWRK-ZDUSSCGKSA-N 1 1 292.379 3.028 20 30 CGEDMO C=CCOc1ccccc1CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000161510652 264288276 /nfs/dbraw/zinc/28/82/76/264288276.db2.gz LKQXFZMWMOTOAR-BFYDXBDKSA-N 1 1 288.435 3.070 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000076801873 264344040 /nfs/dbraw/zinc/34/40/40/264344040.db2.gz ZFTRXKCGMOKVRB-CABCVRRESA-N 1 1 274.408 3.150 20 30 CGEDMO CC(C)[C@H]1CN(C)CC[N@H+]1CCC1(C#N)CCCCC1 ZINC000425483574 264358954 /nfs/dbraw/zinc/35/89/54/264358954.db2.gz RKROFRZYQSMDNP-MRXNPFEDSA-N 1 1 277.456 3.123 20 30 CGEDMO CC(C)[C@H]1C[N@H+](C)CCN1CCC1(C#N)CCCCC1 ZINC000425483574 264358956 /nfs/dbraw/zinc/35/89/56/264358956.db2.gz RKROFRZYQSMDNP-MRXNPFEDSA-N 1 1 277.456 3.123 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](C)CCN1CCC1(C#N)CCCCC1 ZINC000425483574 264358958 /nfs/dbraw/zinc/35/89/58/264358958.db2.gz RKROFRZYQSMDNP-MRXNPFEDSA-N 1 1 277.456 3.123 20 30 CGEDMO N#Cc1ccc(OCC[N@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000530963076 269989217 /nfs/dbraw/zinc/98/92/17/269989217.db2.gz DBLMQZRJNYWENH-SFHVURJKSA-N 1 1 293.370 3.169 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](Cc1ccco1)Cc1cccnc1 ZINC000182067934 264500213 /nfs/dbraw/zinc/50/02/13/264500213.db2.gz CFUPYUIPSXVLOQ-MRXNPFEDSA-N 1 1 286.375 3.004 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](Cc1ccco1)Cc1cccnc1 ZINC000182067934 264500215 /nfs/dbraw/zinc/50/02/15/264500215.db2.gz CFUPYUIPSXVLOQ-MRXNPFEDSA-N 1 1 286.375 3.004 20 30 CGEDMO N#Cc1cccc(OCC[N@@H+](C2CC2)C2CCCC2)c1 ZINC000103466033 270046013 /nfs/dbraw/zinc/04/60/13/270046013.db2.gz GEZSOCRJPYFBHL-UHFFFAOYSA-N 1 1 270.376 3.344 20 30 CGEDMO C=C(CC)CN1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000358621120 266481691 /nfs/dbraw/zinc/48/16/91/266481691.db2.gz RZBJBJDLSFVWQG-OWCLPIDISA-N 1 1 250.430 3.290 20 30 CGEDMO COCC[N@@H+](CCCC(C)(C)C#N)[C@H]1CC[C@@H](C)C1 ZINC000362163558 266936565 /nfs/dbraw/zinc/93/65/65/266936565.db2.gz PEHLLAAAOQEPCU-CABCVRRESA-N 1 1 266.429 3.453 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000367689237 267109551 /nfs/dbraw/zinc/10/95/51/267109551.db2.gz UNDSCDXOFRWVRJ-JKSUJKDBSA-N 1 1 278.440 3.455 20 30 CGEDMO CCCCCCCC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000119126290 267302436 /nfs/dbraw/zinc/30/24/36/267302436.db2.gz KVUYRFLARRVQMN-HZPDHXFCSA-N 1 1 280.456 3.290 20 30 CGEDMO N#CCSCCC[N@H+]1CCOC2(C1)CCCCCC2 ZINC000119568266 267344716 /nfs/dbraw/zinc/34/47/16/267344716.db2.gz MYNSNMACNDBPFM-UHFFFAOYSA-N 1 1 282.453 3.058 20 30 CGEDMO N#CC1(C[NH2+]Cc2cc(F)cc3cccnc32)CCC1 ZINC000418142314 267364013 /nfs/dbraw/zinc/36/40/13/267364013.db2.gz MTFURKZUFPHNIQ-UHFFFAOYSA-N 1 1 269.323 3.157 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000120111771 267382504 /nfs/dbraw/zinc/38/25/04/267382504.db2.gz NGNITJBJWDXNFO-ZNMIVQPWSA-N 1 1 266.429 3.062 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000377157973 268051754 /nfs/dbraw/zinc/05/17/54/268051754.db2.gz NEQHMTHXAZGDRO-KZNAEPCWSA-N 1 1 271.404 3.457 20 30 CGEDMO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1nc2ccccc2n1C ZINC000127317226 274252414 /nfs/dbraw/zinc/25/24/14/274252414.db2.gz OPLBFGNFHSZMDV-CYBMUJFWSA-N 1 1 290.370 3.296 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H]1c1nc2ccccc2n1C(C)C ZINC000267372401 275382346 /nfs/dbraw/zinc/38/23/46/275382346.db2.gz SAKNLBKFQGERBR-INIZCTEOSA-N 1 1 267.376 3.387 20 30 CGEDMO C#CC[N@H+]1CCC[C@H]1c1nc2ccccc2n1C(C)C ZINC000267372401 275382344 /nfs/dbraw/zinc/38/23/44/275382344.db2.gz SAKNLBKFQGERBR-INIZCTEOSA-N 1 1 267.376 3.387 20 30 CGEDMO CCC[N@H+](Cc1ccccc1C#N)C[C@H]1CCCCO1 ZINC000170958008 276002524 /nfs/dbraw/zinc/00/25/24/276002524.db2.gz LINODUNRPSIAIN-QGZVFWFLSA-N 1 1 272.392 3.339 20 30 CGEDMO CC1=C[C@H](C)C[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000336519088 276184714 /nfs/dbraw/zinc/18/47/14/276184714.db2.gz NZMVHUUZRRHYAZ-NHYWBVRUSA-N 1 1 269.348 3.033 20 30 CGEDMO CC1=C[C@H](C)C[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000336519088 276184716 /nfs/dbraw/zinc/18/47/16/276184716.db2.gz NZMVHUUZRRHYAZ-NHYWBVRUSA-N 1 1 269.348 3.033 20 30 CGEDMO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459434463 278008023 /nfs/dbraw/zinc/00/80/23/278008023.db2.gz ORAQQTNGXRRPRL-FRRDWIJNSA-N 1 1 287.363 3.333 20 30 CGEDMO Cc1ccc2c(c1)[C@H]([NH2+]Cc1nc(C#N)cs1)[C@H](C)C2 ZINC000352794809 281121576 /nfs/dbraw/zinc/12/15/76/281121576.db2.gz IHVHBYFFNSMKLY-BDJLRTHQSA-N 1 1 283.400 3.346 20 30 CGEDMO C[C@H](C1CCCCC1)[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000554838772 289312758 /nfs/dbraw/zinc/31/27/58/289312758.db2.gz DFYYHSXCHOGSOL-CQSZACIVSA-N 1 1 299.418 3.397 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000246387032 290222083 /nfs/dbraw/zinc/22/20/83/290222083.db2.gz NVFXNDSOYDAGHU-QWHCGFSZSA-N 1 1 258.365 3.119 20 30 CGEDMO C=CCCCCCNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000563371267 328060152 /nfs/dbraw/zinc/06/01/52/328060152.db2.gz LDDNLCAOGTYLCH-OAHLLOKOSA-N 1 1 293.455 3.049 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000411267102 328081458 /nfs/dbraw/zinc/08/14/58/328081458.db2.gz KQWJHRFWTBXJAV-ZBFHGGJFSA-N 1 1 258.365 3.222 20 30 CGEDMO C=CCCCCC[N@@H+]1CCNC(=O)[C@@H]1c1cccc(C)c1 ZINC000571297176 328100582 /nfs/dbraw/zinc/10/05/82/328100582.db2.gz IKUVPWAKBJDLRO-KRWDZBQOSA-N 1 1 286.419 3.214 20 30 CGEDMO C=CCCCCC[N@H+]1CCNC(=O)[C@@H]1c1cccc(C)c1 ZINC000571297176 328100584 /nfs/dbraw/zinc/10/05/84/328100584.db2.gz IKUVPWAKBJDLRO-KRWDZBQOSA-N 1 1 286.419 3.214 20 30 CGEDMO C[N@@H+](CCCC#N)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273574157 328205221 /nfs/dbraw/zinc/20/52/21/328205221.db2.gz YQEICZCWAOJFNQ-HOTGVXAUSA-N 1 1 276.355 3.281 20 30 CGEDMO N#CCCC[N@@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000293165055 328274500 /nfs/dbraw/zinc/27/45/00/328274500.db2.gz VAULMXNKASVECD-CQSZACIVSA-N 1 1 264.756 3.097 20 30 CGEDMO C[C@@H]([NH2+]CCC#N)c1ccc(Oc2cccnc2)cc1 ZINC000298621465 328296834 /nfs/dbraw/zinc/29/68/34/328296834.db2.gz UYRHIWBXCWGPIC-CYBMUJFWSA-N 1 1 267.332 3.438 20 30 CGEDMO CCC[N@@H+](CC)C[C@H](C)Nc1c(C#N)cnc2ccccc21 ZINC000565140194 322062262 /nfs/dbraw/zinc/06/22/62/322062262.db2.gz CKISMKVNOCHCNM-AWEZNQCLSA-N 1 1 296.418 3.061 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3ccncc3)C2)c(F)c1 ZINC000565400529 322076065 /nfs/dbraw/zinc/07/60/65/322076065.db2.gz JSRAMCAIHKBRCS-HNNXBMFYSA-N 1 1 281.334 3.082 20 30 CGEDMO C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000565867725 322094300 /nfs/dbraw/zinc/09/43/00/322094300.db2.gz YHVCLCYKMCGAQM-APWZRJJASA-N 1 1 297.446 3.257 20 30 CGEDMO CN1CCC[C@H](C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000565867725 322094303 /nfs/dbraw/zinc/09/43/03/322094303.db2.gz YHVCLCYKMCGAQM-APWZRJJASA-N 1 1 297.446 3.257 20 30 CGEDMO C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000565867728 322094621 /nfs/dbraw/zinc/09/46/21/322094621.db2.gz YHVCLCYKMCGAQM-VQIMIIECSA-N 1 1 297.446 3.257 20 30 CGEDMO CN1CCC[C@H](C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000565867728 322094622 /nfs/dbraw/zinc/09/46/22/322094622.db2.gz YHVCLCYKMCGAQM-VQIMIIECSA-N 1 1 297.446 3.257 20 30 CGEDMO Cc1ccnc([C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c1 ZINC000570341541 322271229 /nfs/dbraw/zinc/27/12/29/322271229.db2.gz IYPGQCXNODACEM-QGZVFWFLSA-N 1 1 277.371 3.251 20 30 CGEDMO C=CCCCCN1CCC[N@H+](C2CCCC2)CC1 ZINC000584213060 327068110 /nfs/dbraw/zinc/06/81/10/327068110.db2.gz JWEDQXHKNNLASG-UHFFFAOYSA-N 1 1 250.430 3.293 20 30 CGEDMO C=CCCCC[N@@H+]1CCCN(C2CCCC2)CC1 ZINC000584213060 327068111 /nfs/dbraw/zinc/06/81/11/327068111.db2.gz JWEDQXHKNNLASG-UHFFFAOYSA-N 1 1 250.430 3.293 20 30 CGEDMO C=CCCCC[N@H+]1CCCN(C2CCCC2)CC1 ZINC000584213060 327068112 /nfs/dbraw/zinc/06/81/12/327068112.db2.gz JWEDQXHKNNLASG-UHFFFAOYSA-N 1 1 250.430 3.293 20 30 CGEDMO COc1ccc2c(c1)CCC[N@@H+]([C@@H]1CC[C@@H](C#N)C1)C2 ZINC000559070809 327139976 /nfs/dbraw/zinc/13/99/76/327139976.db2.gz GCQFWECGYUOFPJ-CZUORRHYSA-N 1 1 270.376 3.136 20 30 CGEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@@H]1CCSC1 ZINC000089937659 327175212 /nfs/dbraw/zinc/17/52/12/327175212.db2.gz QNYMTCLKGWMJMZ-CQSZACIVSA-N 1 1 274.433 3.425 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)nc1 ZINC000584299589 327229579 /nfs/dbraw/zinc/22/95/79/327229579.db2.gz OKBDZNWDPNMFSL-QGZVFWFLSA-N 1 1 277.371 3.333 20 30 CGEDMO CC#CC[N@@H+](C)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000559459245 327246235 /nfs/dbraw/zinc/24/62/35/327246235.db2.gz REJBURRGERSVSS-UHFFFAOYSA-N 1 1 292.382 3.394 20 30 CGEDMO CCOc1cccc([C@H](C)[NH2+]C[C@H](C#N)CCC#N)c1 ZINC000112537335 327286347 /nfs/dbraw/zinc/28/63/47/327286347.db2.gz GNYDULNXTUFPRU-KBPBESRZSA-N 1 1 271.364 3.179 20 30 CGEDMO CCCC[C@H](C)[N@@H+](C)Cc1cccc(C(=O)OC)c1C#N ZINC000582516050 329099609 /nfs/dbraw/zinc/09/96/09/329099609.db2.gz UAAWNJZQTPORJW-ZDUSSCGKSA-N 1 1 288.391 3.355 20 30 CGEDMO CCO[C@@H]1C[C@H]([N@@H+](C)CCCC#N)C1(CC)CC ZINC000177405806 329184109 /nfs/dbraw/zinc/18/41/09/329184109.db2.gz BYQZMIACNQVEIT-UONOGXRCSA-N 1 1 252.402 3.206 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000181280981 329229193 /nfs/dbraw/zinc/22/91/93/329229193.db2.gz NNGMZKVJTVQDFS-HUUCEWRRSA-N 1 1 274.408 3.069 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000181287315 329229637 /nfs/dbraw/zinc/22/96/37/329229637.db2.gz DURNMDCUTYEVKB-KRWDZBQOSA-N 1 1 286.419 3.030 20 30 CGEDMO CC(C)[NH+](CCCN[C@@H]1CCC[C@H](C#N)C1)C(C)C ZINC000185853957 329333670 /nfs/dbraw/zinc/33/36/70/329333670.db2.gz ZKEPSHOXCHIEMR-JKSUJKDBSA-N 1 1 265.445 3.167 20 30 CGEDMO C=CCC1(C(=O)N2CCC[N@H+](C3CCCC3)CC2)CCC1 ZINC000187911107 329361310 /nfs/dbraw/zinc/36/13/10/329361310.db2.gz QWALFXBNENJPBQ-UHFFFAOYSA-N 1 1 290.451 3.210 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+][C@H]1CCSc2ccccc21 ZINC000583216308 329372010 /nfs/dbraw/zinc/37/20/10/329372010.db2.gz WIHXHHGLRZDIHJ-JSGCOSHPSA-N 1 1 271.389 3.257 20 30 CGEDMO C=CCCCCCN(C)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000273008546 330088467 /nfs/dbraw/zinc/08/84/67/330088467.db2.gz RZNQLJKMXKVJJP-HNNXBMFYSA-N 1 1 293.455 3.025 20 30 CGEDMO C=C(C)CC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000274770134 330107487 /nfs/dbraw/zinc/10/74/87/330107487.db2.gz HCVMAYHNKZAQKI-MRXNPFEDSA-N 1 1 275.392 3.339 20 30 CGEDMO CC(C)(CCC#N)C[NH2+][C@H]1C[C@H](N)c2ccccc21 ZINC000423130357 330171777 /nfs/dbraw/zinc/17/17/77/330171777.db2.gz RYFFVRRZZRPNPT-GJZGRUSLSA-N 1 1 257.381 3.051 20 30 CGEDMO C=CCn1cc(C[NH2+]Cc2ccc(C(C)(C)C)cc2)nn1 ZINC000424173377 330313696 /nfs/dbraw/zinc/31/36/96/330313696.db2.gz PPWJRJUYIVGZBX-UHFFFAOYSA-N 1 1 284.407 3.051 20 30 CGEDMO C=CCN(CC[C@H]1CCC[N@H+]1C)Cc1ccc(OC)cc1 ZINC000089425761 330384969 /nfs/dbraw/zinc/38/49/69/330384969.db2.gz FTJFGCUYRFFKOB-QGZVFWFLSA-N 1 1 288.435 3.168 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000537031190 330387899 /nfs/dbraw/zinc/38/78/99/330387899.db2.gz BOFGWBXRVRSWCD-ZBFHGGJFSA-N 1 1 251.414 3.480 20 30 CGEDMO C[N@@H+](CC#Cc1ccccc1Cl)C1CCC(CO)CC1 ZINC000089924219 330388975 /nfs/dbraw/zinc/38/89/75/330388975.db2.gz LMHAEUPWDVXJNB-UHFFFAOYSA-N 1 1 291.822 3.174 20 30 CGEDMO C=CC[N@H+](C)CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000121145883 330395564 /nfs/dbraw/zinc/39/55/64/330395564.db2.gz LDUWUBQFWWNRDK-KRWDZBQOSA-N 1 1 292.231 3.219 20 30 CGEDMO C=CC[N@@H+](C)CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000121145883 330395565 /nfs/dbraw/zinc/39/55/65/330395565.db2.gz LDUWUBQFWWNRDK-KRWDZBQOSA-N 1 1 292.231 3.219 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccn(CCc2ccccc2)n1 ZINC000450823094 331001198 /nfs/dbraw/zinc/00/11/98/331001198.db2.gz UNMXEGUPSHZXHB-UHFFFAOYSA-N 1 1 269.392 3.134 20 30 CGEDMO C=CCC[C@@H](CO)Nc1cc(C)[nH+]c2c(OC)cccc12 ZINC000450900061 331005806 /nfs/dbraw/zinc/00/58/06/331005806.db2.gz UBFADVIPOGFQFF-ZDUSSCGKSA-N 1 1 286.375 3.291 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCc2c(Cl)cc(F)cc2C1 ZINC000451161428 331018115 /nfs/dbraw/zinc/01/81/15/331018115.db2.gz YJJJOBCPNVJBEG-CYBMUJFWSA-N 1 1 283.774 3.164 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCc2c(Cl)cc(F)cc2C1 ZINC000451161428 331018116 /nfs/dbraw/zinc/01/81/16/331018116.db2.gz YJJJOBCPNVJBEG-CYBMUJFWSA-N 1 1 283.774 3.164 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451332267 331024747 /nfs/dbraw/zinc/02/47/47/331024747.db2.gz OZAGLCQOWHWSBZ-AWEZNQCLSA-N 1 1 253.773 3.271 20 30 CGEDMO CO[C@@H]1CC[N@@H+](CCCC(C)(C)C#N)CC1(C)C ZINC000451549731 331033824 /nfs/dbraw/zinc/03/38/24/331033824.db2.gz HWCRDAFYSUIHTD-CYBMUJFWSA-N 1 1 252.402 3.063 20 30 CGEDMO CCO[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)C[C@H]1C ZINC000451551055 331033882 /nfs/dbraw/zinc/03/38/82/331033882.db2.gz XKNVCHUQDSCUIE-HUUCEWRRSA-N 1 1 266.429 3.453 20 30 CGEDMO N#CCSCCC[N@H+]1CCCc2ccccc2CC1 ZINC000451711354 331039830 /nfs/dbraw/zinc/03/98/30/331039830.db2.gz ODYOKXMWKHDYDI-UHFFFAOYSA-N 1 1 274.433 3.124 20 30 CGEDMO C[N@@H+](CCCCC(C)(C)C#N)[C@H](CO)CC(C)(C)C ZINC000451791314 331042109 /nfs/dbraw/zinc/04/21/09/331042109.db2.gz PWHDEVQQVCNTRJ-AWEZNQCLSA-N 1 1 268.445 3.435 20 30 CGEDMO Clc1ccc(C#CC[N@H+]2CCC[C@]3(CCOC3)C2)cc1 ZINC000451907407 331047023 /nfs/dbraw/zinc/04/70/23/331047023.db2.gz VANRKLHUMMGDNJ-KRWDZBQOSA-N 1 1 289.806 3.194 20 30 CGEDMO COC[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000452081385 331053232 /nfs/dbraw/zinc/05/32/32/331053232.db2.gz JTEPXBBAKVTKQM-INIZCTEOSA-N 1 1 291.822 3.440 20 30 CGEDMO C=CCC1(C(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)CCCC1 ZINC000452165654 331056851 /nfs/dbraw/zinc/05/68/51/331056851.db2.gz QKEQSWFJKXZOAD-OAHLLOKOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[C@H](CC)[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000453285716 331111073 /nfs/dbraw/zinc/11/10/73/331111073.db2.gz QHLDYEXECIAUCQ-GJZGRUSLSA-N 1 1 280.456 3.345 20 30 CGEDMO C=CCC1(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC000456365712 331191146 /nfs/dbraw/zinc/19/11/46/331191146.db2.gz LLDLMJPQBUPJCZ-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCCCCN(C)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000459245833 331272856 /nfs/dbraw/zinc/27/28/56/331272856.db2.gz BOJKFJDHPDMEBC-MRXNPFEDSA-N 1 1 295.471 3.106 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1ccc(Br)s1 ZINC000164679534 331280973 /nfs/dbraw/zinc/28/09/73/331280973.db2.gz CCMMIBLTHGYYPR-UHFFFAOYSA-N 1 1 273.199 3.150 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2cc(COC)on2)CCCC1(C)C ZINC000459512132 331285425 /nfs/dbraw/zinc/28/54/25/331285425.db2.gz QYHOLKLMHZBVJI-OAHLLOKOSA-N 1 1 278.396 3.388 20 30 CGEDMO N#CCCCOc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CS3)c1 ZINC000459768888 331299705 /nfs/dbraw/zinc/29/97/05/331299705.db2.gz QWVZQGCGHQAUNA-HOCLYGCPSA-N 1 1 288.416 3.059 20 30 CGEDMO C[N@@H+](CCCC1(C#N)CCOCC1)C1CC(C)(C)C1 ZINC000459773191 331300046 /nfs/dbraw/zinc/30/00/46/331300046.db2.gz URJWAEUXFPKGCM-UHFFFAOYSA-N 1 1 264.413 3.207 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000463451871 331347939 /nfs/dbraw/zinc/34/79/39/331347939.db2.gz QXPSOQYDEFUPRA-SJLPKXTDSA-N 1 1 273.420 3.367 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000488469317 332012340 /nfs/dbraw/zinc/01/23/40/332012340.db2.gz ZDEHIDNLZNKQOH-KRWDZBQOSA-N 1 1 264.457 3.397 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000488617461 332020386 /nfs/dbraw/zinc/02/03/86/332020386.db2.gz KEYSCKBSNGLBDV-OAHLLOKOSA-N 1 1 292.810 3.343 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)OC ZINC000488972803 332036162 /nfs/dbraw/zinc/03/61/62/332036162.db2.gz FBZOJEPFCPRJOQ-SOUVJXGZSA-N 1 1 265.397 3.006 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1c(C)cccc1C ZINC000489421849 332051192 /nfs/dbraw/zinc/05/11/92/332051192.db2.gz CZUMKEZYSUPIEB-HNNXBMFYSA-N 1 1 272.392 3.282 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1c(C)cccc1C ZINC000489421849 332051193 /nfs/dbraw/zinc/05/11/93/332051193.db2.gz CZUMKEZYSUPIEB-HNNXBMFYSA-N 1 1 272.392 3.282 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CCOCCOc1ccccc1 ZINC000489432609 332051883 /nfs/dbraw/zinc/05/18/83/332051883.db2.gz STEWVOQZJKJWHG-MRXNPFEDSA-N 1 1 275.392 3.123 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C)c1C ZINC000489466851 332054312 /nfs/dbraw/zinc/05/43/12/332054312.db2.gz ZPQGSUYPXZACRG-OAHLLOKOSA-N 1 1 272.392 3.282 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(C)c1C ZINC000489466851 332054314 /nfs/dbraw/zinc/05/43/14/332054314.db2.gz ZPQGSUYPXZACRG-OAHLLOKOSA-N 1 1 272.392 3.282 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000489471182 332054604 /nfs/dbraw/zinc/05/46/04/332054604.db2.gz GOABTADAOMRSJO-AWEZNQCLSA-N 1 1 260.337 3.178 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000489476316 332054911 /nfs/dbraw/zinc/05/49/11/332054911.db2.gz MTBDBZLIJWNGDR-CYBMUJFWSA-N 1 1 276.336 3.014 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1cc(F)cc2cccnc21 ZINC000491210807 332167417 /nfs/dbraw/zinc/16/74/17/332167417.db2.gz ZBEPELDUVSFEPA-UHFFFAOYSA-N 1 1 256.324 3.218 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccccc1OCc1cccnc1 ZINC000491308552 332187394 /nfs/dbraw/zinc/18/73/94/332187394.db2.gz VBBBILUCHJGUCJ-UHFFFAOYSA-N 1 1 280.371 3.116 20 30 CGEDMO C=CCCC[N@H+](Cc1ccc(OC)cc1)[C@H](CO)C(C)C ZINC000491331359 332191693 /nfs/dbraw/zinc/19/16/93/332191693.db2.gz XTTIFQDXTJPZTP-GOSISDBHSA-N 1 1 291.435 3.480 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(Sc2ccccn2)o1 ZINC000491506870 332225375 /nfs/dbraw/zinc/22/53/75/332225375.db2.gz RSYPBYGHELAOCI-GFCCVEGCSA-N 1 1 272.373 3.279 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(Sc2ccccn2)o1 ZINC000491506870 332225376 /nfs/dbraw/zinc/22/53/76/332225376.db2.gz RSYPBYGHELAOCI-GFCCVEGCSA-N 1 1 272.373 3.279 20 30 CGEDMO C#C[C@@H](CC)[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000491543730 332234105 /nfs/dbraw/zinc/23/41/05/332234105.db2.gz ICFHMUUOCCNDMA-ZDUSSCGKSA-N 1 1 256.374 3.312 20 30 CGEDMO C#CC[NH+]1CCC(c2nc([C@@H](C)C(C)(C)C)no2)CC1 ZINC000491556866 332238022 /nfs/dbraw/zinc/23/80/22/332238022.db2.gz ZHODRXMWAICFFT-GFCCVEGCSA-N 1 1 275.396 3.032 20 30 CGEDMO C=CCCCCC[N@H+](CC)CC(=O)N1CCCCCC1 ZINC000513220549 333009440 /nfs/dbraw/zinc/00/94/40/333009440.db2.gz ZSXYFEVTIQKYAN-UHFFFAOYSA-N 1 1 280.456 3.457 20 30 CGEDMO C[C@@H](C#N)C[NH2+]Cc1ccc(N(C)c2ccccc2)nc1 ZINC000575822589 335119289 /nfs/dbraw/zinc/11/92/89/335119289.db2.gz QQESKPPZZIIYQA-AWEZNQCLSA-N 1 1 280.375 3.099 20 30 CGEDMO CC#CCCCC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000185522231 333143004 /nfs/dbraw/zinc/14/30/04/333143004.db2.gz KMJHPWDBIFFMRN-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC[N@H+](CC[C@H]1CCCO1)Cc1cccc([N+](=O)[O-])c1 ZINC000188916187 333176126 /nfs/dbraw/zinc/17/61/26/333176126.db2.gz KAAMVZYUIDAEPD-MRXNPFEDSA-N 1 1 290.363 3.152 20 30 CGEDMO C=CCCCCC[NH+]1CCN(C2CCCC2)CC1 ZINC000193305914 333247555 /nfs/dbraw/zinc/24/75/55/333247555.db2.gz ZOQSXNUEEVZDKA-UHFFFAOYSA-N 1 1 250.430 3.293 20 30 CGEDMO C=CCCCCCN(C)C(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000524801337 333388712 /nfs/dbraw/zinc/38/87/12/333388712.db2.gz WMLLLTWGSNJJHF-INIZCTEOSA-N 1 1 295.471 3.249 20 30 CGEDMO CC[N@@H+](Cc1ccccc1C(C)(C)C#N)C[C@@H](C)C#N ZINC000135139380 334117478 /nfs/dbraw/zinc/11/74/78/334117478.db2.gz MYBBXLXJYPHXNK-AWEZNQCLSA-N 1 1 269.392 3.469 20 30 CGEDMO CC[N@H+](Cc1ccccc1C(C)(C)C#N)C[C@@H](C)C#N ZINC000135139380 334117480 /nfs/dbraw/zinc/11/74/80/334117480.db2.gz MYBBXLXJYPHXNK-AWEZNQCLSA-N 1 1 269.392 3.469 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@](CO)(CCC)C2)cc1 ZINC000564330921 334118013 /nfs/dbraw/zinc/11/80/13/334118013.db2.gz UEUCMTNKFVTDEO-SFHVURJKSA-N 1 1 289.419 3.236 20 30 CGEDMO CC#CC[NH2+][C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000135266364 334122808 /nfs/dbraw/zinc/12/28/08/334122808.db2.gz VBVYUVQGBIZIFZ-SFHVURJKSA-N 1 1 292.382 3.288 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000549445611 334194029 /nfs/dbraw/zinc/19/40/29/334194029.db2.gz AIDTUOZEZSUWHP-KRWDZBQOSA-N 1 1 259.393 3.243 20 30 CGEDMO C=CCOCC[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000549446629 334194201 /nfs/dbraw/zinc/19/42/01/334194201.db2.gz WEOCRSHVQOMRDU-DZGCQCFKSA-N 1 1 263.356 3.206 20 30 CGEDMO C=CCOCC[N@H+](C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000549844421 334206564 /nfs/dbraw/zinc/20/65/64/334206564.db2.gz UJTFVIJVPQKDSD-CYBMUJFWSA-N 1 1 267.800 3.405 20 30 CGEDMO C=CCOCCC[N@H+]1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000551403735 334249272 /nfs/dbraw/zinc/24/92/72/334249272.db2.gz MNCITIGVLPCWNV-INIZCTEOSA-N 1 1 299.336 3.428 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000551403735 334249274 /nfs/dbraw/zinc/24/92/74/334249274.db2.gz MNCITIGVLPCWNV-INIZCTEOSA-N 1 1 299.336 3.428 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2C[C@H](C)OC3(CCC3)C2)c1 ZINC000576756257 335244289 /nfs/dbraw/zinc/24/42/89/335244289.db2.gz VFHQEJORTWXWSH-HNNXBMFYSA-N 1 1 287.403 3.395 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(Cl)c(OC)c1 ZINC000577122531 335304136 /nfs/dbraw/zinc/30/41/36/335304136.db2.gz STAGSHAQLQMWPV-NSHDSACASA-N 1 1 252.745 3.130 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@H]2c2ccccn2)ccc1C#N ZINC000577455490 335354069 /nfs/dbraw/zinc/35/40/69/335354069.db2.gz HMOIMRMNCMHFQH-KRWDZBQOSA-N 1 1 293.370 3.299 20 30 CGEDMO C[C@H](O)[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccccc1F ZINC000577618038 335379178 /nfs/dbraw/zinc/37/91/78/335379178.db2.gz ZCKMRDBQHURZEK-ZJNRKIDTSA-N 1 1 298.361 3.470 20 30 CGEDMO CCCOc1ncccc1C[NH2+]Cc1cc(C#N)cs1 ZINC000177690791 335379184 /nfs/dbraw/zinc/37/91/84/335379184.db2.gz MTKVULMZAFJGNG-UHFFFAOYSA-N 1 1 287.388 3.093 20 30 CGEDMO C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)c2nccn21 ZINC000578030188 335468220 /nfs/dbraw/zinc/46/82/20/335468220.db2.gz WGNPVQXWCJXHTO-XFBWCDHKSA-N 1 1 278.359 3.038 20 30 CGEDMO C[C@@H]1C[C@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)c2nccn21 ZINC000578030187 335468319 /nfs/dbraw/zinc/46/83/19/335468319.db2.gz WGNPVQXWCJXHTO-RLCCDNCMSA-N 1 1 278.359 3.038 20 30 CGEDMO N#Cc1ccc(C[N@H+](CCOCC(F)(F)F)C2CC2)cc1 ZINC000194957846 336041229 /nfs/dbraw/zinc/04/12/29/336041229.db2.gz YESFEZSCSXGZQS-UHFFFAOYSA-N 1 1 298.308 3.102 20 30 CGEDMO CC(C)[N@@H+](C)C[C@H](C)Nc1ccc(C#N)c(Cl)c1 ZINC000386330627 336170735 /nfs/dbraw/zinc/17/07/35/336170735.db2.gz MHXSEQTVDUKTBE-NSHDSACASA-N 1 1 265.788 3.352 20 30 CGEDMO C[C@H]([NH2+]Cc1cccc(O)c1)c1ccc(C#N)cc1F ZINC000358561300 533929281 /nfs/dbraw/zinc/92/92/81/533929281.db2.gz GHYYLVQUSHVWFI-NSHDSACASA-N 1 1 270.307 3.254 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cnc(C2CC2)nc1 ZINC000425366442 534081469 /nfs/dbraw/zinc/08/14/69/534081469.db2.gz PXTOUDXKFIPQKG-ZDUSSCGKSA-N 1 1 292.386 3.419 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cnc(C2CC2)nc1 ZINC000425366442 534081474 /nfs/dbraw/zinc/08/14/74/534081474.db2.gz PXTOUDXKFIPQKG-ZDUSSCGKSA-N 1 1 292.386 3.419 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2CCOCC3(CCCC3)C2)c1 ZINC000369018087 534786072 /nfs/dbraw/zinc/78/60/72/534786072.db2.gz QXKMTGRTCHGFIZ-UHFFFAOYSA-N 1 1 288.366 3.090 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCOCC3(CCCC3)C2)c1 ZINC000369018087 534786078 /nfs/dbraw/zinc/78/60/78/534786078.db2.gz QXKMTGRTCHGFIZ-UHFFFAOYSA-N 1 1 288.366 3.090 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000351992295 526443996 /nfs/dbraw/zinc/44/39/96/526443996.db2.gz BZRWCEYCUYLSRD-CQSZACIVSA-N 1 1 253.386 3.006 20 30 CGEDMO C=C(C)CCN1CC[NH+](Cc2ccccc2C)CC1 ZINC000352091265 526446161 /nfs/dbraw/zinc/44/61/61/526446161.db2.gz HZINAQYEUQONLR-UHFFFAOYSA-N 1 1 258.409 3.079 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nc2cccnc2s1 ZINC000334708917 527456816 /nfs/dbraw/zinc/45/68/16/527456816.db2.gz RMEODRWUCJDHKC-LLVKDONJSA-N 1 1 259.378 3.232 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nc2cccnc2s1 ZINC000334708917 527456819 /nfs/dbraw/zinc/45/68/19/527456819.db2.gz RMEODRWUCJDHKC-LLVKDONJSA-N 1 1 259.378 3.232 20 30 CGEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccnc(N)c1 ZINC000411208777 527945636 /nfs/dbraw/zinc/94/56/36/527945636.db2.gz QVUPSOGCGSTCOA-UHFFFAOYSA-N 1 1 294.402 3.024 20 30 CGEDMO CCOC1CC(C[N@@H+](CCC#N)CCC(C)C)C1 ZINC000352029781 528496678 /nfs/dbraw/zinc/49/66/78/528496678.db2.gz SENDOQKOSZTNDR-UHFFFAOYSA-N 1 1 252.402 3.063 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@H]1CSc1ccc(C#N)cn1 ZINC000412989157 529004154 /nfs/dbraw/zinc/00/41/54/529004154.db2.gz MQKDKGHOQVMLON-AWEZNQCLSA-N 1 1 275.421 3.308 20 30 CGEDMO CCC[C@H](C)[N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459302519 535632509 /nfs/dbraw/zinc/63/25/09/535632509.db2.gz DVTTUMVYCGHNBA-NSHDSACASA-N 1 1 261.325 3.087 20 30 CGEDMO CCC[C@H](C)[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459302519 535632515 /nfs/dbraw/zinc/63/25/15/535632515.db2.gz DVTTUMVYCGHNBA-NSHDSACASA-N 1 1 261.325 3.087 20 30 CGEDMO C[N@@H+](Cn1ccc(-c2ccc(C#N)cc2)n1)CC(C)(C)C ZINC000738090329 571780416 /nfs/dbraw/zinc/78/04/16/571780416.db2.gz OTEMRQPBPBVDLN-UHFFFAOYSA-N 1 1 282.391 3.357 20 30 CGEDMO CC[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1C#N ZINC000728569771 571810978 /nfs/dbraw/zinc/81/09/78/571810978.db2.gz MSTKMGCONDMAFL-UHFFFAOYSA-N 1 1 283.350 3.157 20 30 CGEDMO COCC[N@@H+](Cc1ccc(F)cc1C#N)C1CCCC1 ZINC000728569544 571811284 /nfs/dbraw/zinc/81/12/84/571811284.db2.gz LGLQEVYIXMRVPB-UHFFFAOYSA-N 1 1 276.355 3.088 20 30 CGEDMO N#Cc1ccc(-c2ccn(C[N@H+]3CCC[C@H]3C3CC3)n2)cc1 ZINC000728559836 571812092 /nfs/dbraw/zinc/81/20/92/571812092.db2.gz LGTGXEVFWQMSRE-SFHVURJKSA-N 1 1 292.386 3.254 20 30 CGEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[NH+]1CCCCCCC1 ZINC000739901176 572425739 /nfs/dbraw/zinc/42/57/39/572425739.db2.gz DVIJERLARKONRQ-INIZCTEOSA-N 1 1 286.375 3.038 20 30 CGEDMO CCCCCCCC[N@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000740874649 572462686 /nfs/dbraw/zinc/46/26/86/572462686.db2.gz YBRSDWCZGQWVPW-OAHLLOKOSA-N 1 1 266.429 3.090 20 30 CGEDMO CCCCCCCC[N@@H+](CC(N)=O)C1CCCC1 ZINC000740875040 572464034 /nfs/dbraw/zinc/46/40/34/572464034.db2.gz ZXYKGKAEOXUYAF-UHFFFAOYSA-N 1 1 254.418 3.077 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](C(=O)NCCCCCC)C1 ZINC000735490098 572726292 /nfs/dbraw/zinc/72/62/92/572726292.db2.gz DPFAYZFYZKUHHY-INIZCTEOSA-N 1 1 280.456 3.361 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)CCOC ZINC000352902849 572814626 /nfs/dbraw/zinc/81/46/26/572814626.db2.gz ORTWYFUGBCHETO-OAHLLOKOSA-N 1 1 279.428 3.267 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000746156214 572857610 /nfs/dbraw/zinc/85/76/10/572857610.db2.gz GAQDJOLTOWUFHP-UHFFFAOYSA-N 1 1 260.340 3.194 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccc(Cl)c2cccnc12 ZINC000746457023 572871633 /nfs/dbraw/zinc/87/16/33/572871633.db2.gz UUXDMEPAMACLAC-UHFFFAOYSA-N 1 1 258.752 3.343 20 30 CGEDMO CCCNN=CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000747632734 572938015 /nfs/dbraw/zinc/93/80/15/572938015.db2.gz HLAIVMBJAGNLAK-UHFFFAOYSA-N 1 1 261.413 3.130 20 30 CGEDMO CN1CCCc2cc(C=[NH+]Nc3ccc(C#N)cc3)ccc21 ZINC000748034368 572958658 /nfs/dbraw/zinc/95/86/58/572958658.db2.gz QRCXEOQEHKCHSA-UHFFFAOYSA-N 1 1 290.370 3.387 20 30 CGEDMO C=CCCCC(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000748295737 572972700 /nfs/dbraw/zinc/97/27/00/572972700.db2.gz HPUMBLPVBAAVEZ-UHFFFAOYSA-N 1 1 283.375 3.153 20 30 CGEDMO C#CC[N@H+](Cc1ccnc(C#N)c1)[C@H]1CCc2ccccc21 ZINC000749513408 573014782 /nfs/dbraw/zinc/01/47/82/573014782.db2.gz DXXZQABRWVXUPN-IBGZPJMESA-N 1 1 287.366 3.076 20 30 CGEDMO C#CC[N@@H+](Cc1ccnc(C#N)c1)[C@H]1CCc2ccccc21 ZINC000749513408 573014790 /nfs/dbraw/zinc/01/47/90/573014790.db2.gz DXXZQABRWVXUPN-IBGZPJMESA-N 1 1 287.366 3.076 20 30 CGEDMO CCCCCCCCC[N@H+](C)Cc1nccc(N)n1 ZINC000749515858 573015749 /nfs/dbraw/zinc/01/57/49/573015749.db2.gz YERXIIGEDDQJSQ-UHFFFAOYSA-N 1 1 264.417 3.241 20 30 CGEDMO CCCCCCCCC[N@@H+](C)Cc1nccc(N)n1 ZINC000749515858 573015754 /nfs/dbraw/zinc/01/57/54/573015754.db2.gz YERXIIGEDDQJSQ-UHFFFAOYSA-N 1 1 264.417 3.241 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCNc2nc3ccccc3cc2C#N)C1 ZINC000750016118 573074059 /nfs/dbraw/zinc/07/40/59/573074059.db2.gz JMKHAOUMDLVTIC-CQSZACIVSA-N 1 1 294.402 3.250 20 30 CGEDMO C=C(CC)C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000823878121 608310011 /nfs/dbraw/zinc/31/00/11/608310011.db2.gz PRZQZIYRIGHYEC-UHFFFAOYSA-N 1 1 285.395 3.043 20 30 CGEDMO C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)C1CCC1 ZINC000968724566 613251311 /nfs/dbraw/zinc/25/13/11/613251311.db2.gz GYTZUZXOIZLGDY-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H]2CCCC[C@H]2C)CC1 ZINC000981844623 613254360 /nfs/dbraw/zinc/25/43/60/613254360.db2.gz FQPLRDZWUJTEQU-SJORKVTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC000968274430 613264870 /nfs/dbraw/zinc/26/48/70/613264870.db2.gz LSMHQNNTUFAJAI-HZPDHXFCSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2)C[C@H]1C ZINC000947005474 613267395 /nfs/dbraw/zinc/26/73/95/613267395.db2.gz PTKIQARSMQDTOL-NVXWUHKLSA-N 1 1 286.419 3.236 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2(C)CC=CC2)C1 ZINC000968236573 613269146 /nfs/dbraw/zinc/26/91/46/613269146.db2.gz VAMMOEOFAXCRTP-JKSUJKDBSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccsc2)[C@@H](C)C1 ZINC000941784188 613272413 /nfs/dbraw/zinc/27/24/13/613272413.db2.gz IYLADVVODOXOKN-ZFWWWQNUSA-N 1 1 292.448 3.155 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccsc2)[C@H](C)C1 ZINC000941784180 613272421 /nfs/dbraw/zinc/27/24/21/613272421.db2.gz IYLADVVODOXOKN-HIFRSBDPSA-N 1 1 292.448 3.155 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2cc3ccccc3o2)C1 ZINC000980322658 613286078 /nfs/dbraw/zinc/28/60/78/613286078.db2.gz PQUUOZJZSYOSKW-OAHLLOKOSA-N 1 1 298.386 3.155 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC000980456017 613289993 /nfs/dbraw/zinc/28/99/93/613289993.db2.gz GTXBJOAVGBAEOH-WMZOPIPTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2cc3ccccc3o2)C1 ZINC000980322654 613291139 /nfs/dbraw/zinc/29/11/39/613291139.db2.gz PQUUOZJZSYOSKW-HNNXBMFYSA-N 1 1 298.386 3.155 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2ccccc2Cl)C1 ZINC000972778233 613291648 /nfs/dbraw/zinc/29/16/48/613291648.db2.gz RYPJOQKFVOSIET-ZDUSSCGKSA-N 1 1 292.810 3.062 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)CC2(C)CCCCC2)CC1 ZINC000981595077 613307719 /nfs/dbraw/zinc/30/77/19/613307719.db2.gz GBODHMRDKCWZQA-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)C2(C)CCC2)CC1 ZINC000948681298 613313856 /nfs/dbraw/zinc/31/38/56/613313856.db2.gz UWMSAYAIYNUYDK-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)C[C@@H]2CCCC(C)(C)C2)CC1 ZINC000957331147 613316266 /nfs/dbraw/zinc/31/62/66/613316266.db2.gz YZZUTRKHJHRMPT-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2CCC)C(C)(C)C1 ZINC000941015856 613328368 /nfs/dbraw/zinc/32/83/68/613328368.db2.gz VLLLUIGYFOGBIY-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C2CCC(=C)CC2)C1 ZINC000968190794 613331995 /nfs/dbraw/zinc/33/19/95/613331995.db2.gz MHRMSKYOYYRZPA-RDJZCZTQSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975027039 613341536 /nfs/dbraw/zinc/34/15/36/613341536.db2.gz NOQIZAWNLWFYRI-CABCVRRESA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](N(C)C(=O)C2CCCC2)CC1 ZINC000948145877 613374105 /nfs/dbraw/zinc/37/41/05/613374105.db2.gz MQEVDNDHHFAEHF-OAHLLOKOSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CC(C)(C)C2)[C@@H](C)C1 ZINC000942019522 613375952 /nfs/dbraw/zinc/37/59/52/613375952.db2.gz FCBLHJLTVLKCPK-SMDDNHRTSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CC(C)(C)C2)[C@@H](C)C1 ZINC000942019522 613375953 /nfs/dbraw/zinc/37/59/53/613375953.db2.gz FCBLHJLTVLKCPK-SMDDNHRTSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC2CCCC2)[C@H](C)C1 ZINC000941766996 613376259 /nfs/dbraw/zinc/37/62/59/613376259.db2.gz CHLUPKRELKQVCH-IUODEOHRSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC2CCCC2)[C@H](C)C1 ZINC000941766996 613376260 /nfs/dbraw/zinc/37/62/60/613376260.db2.gz CHLUPKRELKQVCH-IUODEOHRSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CCCCC2)[C@H](C)C1 ZINC000941754738 613376334 /nfs/dbraw/zinc/37/63/34/613376334.db2.gz CNHODAKMPUGKLT-IUODEOHRSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CCCCC2)[C@H](C)C1 ZINC000941754738 613376335 /nfs/dbraw/zinc/37/63/35/613376335.db2.gz CNHODAKMPUGKLT-IUODEOHRSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CCCC)[C@@H](C)C2)C1 ZINC000947702286 613401062 /nfs/dbraw/zinc/40/10/62/613401062.db2.gz LXMDMFKJAXOSFG-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2C[N@@H+](CCC(C)C)CC[C@H]2C)C1 ZINC000968275262 613401547 /nfs/dbraw/zinc/40/15/47/613401547.db2.gz QGRIJYBRVZNKBG-CVEARBPZSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C1CCC(C(=O)N(C)[C@@H]2CCC[N@H+](C(C)C)CC2)CC1 ZINC000948747209 613403572 /nfs/dbraw/zinc/40/35/72/613403572.db2.gz RFGQBBRLTUAPMS-QGZVFWFLSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)C23CCC(CC2)CC3)C1 ZINC000957408114 613476918 /nfs/dbraw/zinc/47/69/18/613476918.db2.gz LWWHGMZKHBBBGA-UHFFFAOYSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)[C@H]2C[C@@]2(CC)C(C)C)CC1 ZINC000983391802 613495806 /nfs/dbraw/zinc/49/58/06/613495806.db2.gz YERLNCBERLEDME-AEFFLSMTSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)C2CCCC2)CC1 ZINC000948137033 613499642 /nfs/dbraw/zinc/49/96/42/613499642.db2.gz WONPLUJGLMQZJL-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)C[C@H]2C=CCC2)CC1 ZINC000948173293 613499752 /nfs/dbraw/zinc/49/97/52/613499752.db2.gz JIYBHTZDQPQPQP-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)C2(C3CC3)CC2)CC1 ZINC000948467369 613500994 /nfs/dbraw/zinc/50/09/94/613500994.db2.gz PECFLFSJYHJLPP-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000963403065 613501583 /nfs/dbraw/zinc/50/15/83/613501583.db2.gz IPPOMVGSFVBDNX-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=Cc1ccc(C(=O)N[C@H]2C[N@H+](CC(=C)C)CC2(C)C)cc1 ZINC000975060690 613515747 /nfs/dbraw/zinc/51/57/47/613515747.db2.gz AIEHPZARHHTVPU-KRWDZBQOSA-N 1 1 298.430 3.346 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccsc2C)C1 ZINC000966004099 613516052 /nfs/dbraw/zinc/51/60/52/613516052.db2.gz NLXDSEASOLZYPN-DOMZBBRYSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC000967493744 613516536 /nfs/dbraw/zinc/51/65/36/613516536.db2.gz GBRONTCQAHOPTN-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)C2=CCCCCC2)[C@H](C)C1 ZINC000941993700 613519290 /nfs/dbraw/zinc/51/92/90/613519290.db2.gz URESIQCHFOTEIT-NVXWUHKLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C2CC3(CCC3)C2)C[C@@H]1C ZINC000947624888 613520191 /nfs/dbraw/zinc/52/01/91/613520191.db2.gz NYEPTEAXFRTGCI-GOEBONIOSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)c2cc(C)cs2)[C@H](C)C1 ZINC000942030507 613523068 /nfs/dbraw/zinc/52/30/68/613523068.db2.gz YJMUOCDSUCUCFJ-ZIAGYGMSSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2sccc2F)C[C@@H]1C ZINC000947285290 613528493 /nfs/dbraw/zinc/52/84/93/613528493.db2.gz DEFXXUJYIWHWSL-NWDGAFQWSA-N 1 1 296.411 3.046 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC000968565096 613531450 /nfs/dbraw/zinc/53/14/50/613531450.db2.gz DMALZXOKWSUGTJ-LUKYLMHMSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(C)cc2)C1 ZINC000968578055 613531475 /nfs/dbraw/zinc/53/14/75/613531475.db2.gz BGAOGPIQPTYGEO-DOTOQJQBSA-N 1 1 286.419 3.011 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2C(C)(C)C2(C)C)C[C@@H]1C ZINC000947173881 613534134 /nfs/dbraw/zinc/53/41/34/613534134.db2.gz AYLLRYOHEXAVAG-KBPBESRZSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)c2ccc(C)cc2)[C@H](C)C1 ZINC000944264779 613538621 /nfs/dbraw/zinc/53/86/21/613538621.db2.gz QKJNIHPHRPRZQS-WBVHZDCISA-N 1 1 286.419 3.011 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](NC(=O)C2CCC=CCC2)C(C)(C)C1 ZINC000977618673 613543546 /nfs/dbraw/zinc/54/35/46/613543546.db2.gz JQEOOOPWPGVXLU-MRXNPFEDSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)/C(C)=C/C)C2)C1 ZINC000961136495 613543728 /nfs/dbraw/zinc/54/37/28/613543728.db2.gz INCPMOMJBRXOON-DJKUPCSYSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cscc2C)C(C)(C)C1 ZINC000973012573 613546745 /nfs/dbraw/zinc/54/67/45/613546745.db2.gz LCUSBPWCVSJANL-CQSZACIVSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)CC2CC(C)(C)C2)C(C)(C)C1 ZINC000974965433 613553662 /nfs/dbraw/zinc/55/36/62/613553662.db2.gz ZFENXXFFJNHZHJ-HNNXBMFYSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCC2(C)C)C(C)(C)C1 ZINC000974935272 613554621 /nfs/dbraw/zinc/55/46/21/613554621.db2.gz MGOMWRKANOAKSD-CABCVRRESA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)C2CCCCCCC2)C1 ZINC000971914015 613627360 /nfs/dbraw/zinc/62/73/60/613627360.db2.gz CUJBLLBQRNBDGN-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)C12CCC(CC1)C2 ZINC000968916539 613683429 /nfs/dbraw/zinc/68/34/29/613683429.db2.gz CLIJVXUTLBSKQF-UPTPFMHGSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccc(C)cc1 ZINC000969127236 613684626 /nfs/dbraw/zinc/68/46/26/613684626.db2.gz SRHPTLUBGNGEBV-QGZVFWFLSA-N 1 1 286.419 3.155 20 30 CGEDMO C=CC[N@H+]1CCCN(C(=O)CCC2CCCCCC2)CC1 ZINC000981628414 613688462 /nfs/dbraw/zinc/68/84/62/613688462.db2.gz KZILZNVAEDKSKU-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)/C(C)=C/C)CC2)C1 ZINC000961344230 613700099 /nfs/dbraw/zinc/70/00/99/613700099.db2.gz APFRUMCWULPRKJ-ZNZANGIRSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)C2C(C)(C)C2(C)C)CC1 ZINC000948274314 613700429 /nfs/dbraw/zinc/70/04/29/613700429.db2.gz SNSSBPOWYVOMMA-CQSZACIVSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)C2CCC(C)(C)CC2)[C@H](C)C1 ZINC000945338241 613741855 /nfs/dbraw/zinc/74/18/55/613741855.db2.gz ZEZPJEWOBFWJKK-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccoc2C(C)C)C[C@H]1C ZINC000948072641 613756859 /nfs/dbraw/zinc/75/68/59/613756859.db2.gz AOUKIJRANMPEJF-ZIAGYGMSSA-N 1 1 290.407 3.172 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(C3CC3)cc2)C1 ZINC000968674452 613769150 /nfs/dbraw/zinc/76/91/50/613769150.db2.gz QXLDPWNPMLVAMW-KSSFIOAISA-N 1 1 298.430 3.190 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)[C@H](C)C1 ZINC000944230039 613783946 /nfs/dbraw/zinc/78/39/46/613783946.db2.gz YCOMAZYNZPAWMP-VQHPVUNQSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc(Cl)s2)C(C)(C)C1 ZINC000977582526 613810173 /nfs/dbraw/zinc/81/01/73/613810173.db2.gz FUIXQAPKYUMBRY-LLVKDONJSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2ccc(Cl)s2)C(C)(C)C1 ZINC000977582526 613810174 /nfs/dbraw/zinc/81/01/74/613810174.db2.gz FUIXQAPKYUMBRY-LLVKDONJSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C(C)(C)C)CC[C@@H]2C1 ZINC000946644499 613832811 /nfs/dbraw/zinc/83/28/11/613832811.db2.gz FJNCBORVIUDJGG-OAGGEKHMSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000932710115 617913134 /nfs/dbraw/zinc/91/31/34/617913134.db2.gz CGSXKKVZLMRGLI-UONOGXRCSA-N 1 1 282.428 3.045 20 30 CGEDMO Cc1nccc([C@@H]2CCC[N@@H+](CCCC(C)(C)C#N)C2)n1 ZINC000610447530 618093195 /nfs/dbraw/zinc/09/31/95/618093195.db2.gz HBVZGRMCIIDARD-OAHLLOKOSA-N 1 1 286.423 3.294 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000933076592 618139179 /nfs/dbraw/zinc/13/91/79/618139179.db2.gz ANVOJPCNWXWYAH-INIZCTEOSA-N 1 1 278.440 3.455 20 30 CGEDMO Cc1csc(C[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)n1 ZINC000933128815 618159327 /nfs/dbraw/zinc/15/93/27/618159327.db2.gz XGGNLHFHPCWDLE-MRXNPFEDSA-N 1 1 297.427 3.388 20 30 CGEDMO C=CC1(CC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC000933447128 618233148 /nfs/dbraw/zinc/23/31/48/618233148.db2.gz UVPGYQZUNCEKHM-HOTGVXAUSA-N 1 1 292.467 3.454 20 30 CGEDMO N#Cc1cc(C[NH+]2CCC(C(F)(F)F)CC2)cs1 ZINC000891574535 618239637 /nfs/dbraw/zinc/23/96/37/618239637.db2.gz PQGIBEMZCLIZOX-UHFFFAOYSA-N 1 1 274.311 3.394 20 30 CGEDMO Cc1cnc(CC[N@H+](C)Cc2cc(C#N)cs2)c(C)c1 ZINC000933769894 618321387 /nfs/dbraw/zinc/32/13/87/618321387.db2.gz CJXWCZBFGZTCMQ-UHFFFAOYSA-N 1 1 285.416 3.306 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@H]1CCC(C)(C)O1 ZINC000933773678 618327042 /nfs/dbraw/zinc/32/70/42/618327042.db2.gz PNCVTWJNWCZJFJ-GFCCVEGCSA-N 1 1 264.394 3.009 20 30 CGEDMO CO[C@H]1CC[C@@H]1[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000934110280 618469043 /nfs/dbraw/zinc/46/90/43/618469043.db2.gz XUBVWHJAMUIHQW-KBPBESRZSA-N 1 1 298.308 3.186 20 30 CGEDMO Cc1cc(F)c(C#N)c(NC[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000892080999 618521800 /nfs/dbraw/zinc/52/18/00/618521800.db2.gz SSGMKTDIKBDWGF-ZDUSSCGKSA-N 1 1 275.371 3.148 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1ccc(-c2ccccn2)nc1 ZINC000934461574 618624657 /nfs/dbraw/zinc/62/46/57/618624657.db2.gz YUGTXRQRYPDMIL-HNNXBMFYSA-N 1 1 265.360 3.294 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1ccn(-c2ccc(F)cc2)n1 ZINC000934469641 618627002 /nfs/dbraw/zinc/62/70/02/618627002.db2.gz WYTCTUVCQBUMML-HNNXBMFYSA-N 1 1 271.339 3.162 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1ccn(-c2ccc(F)cc2)n1 ZINC000934469641 618627004 /nfs/dbraw/zinc/62/70/04/618627004.db2.gz WYTCTUVCQBUMML-HNNXBMFYSA-N 1 1 271.339 3.162 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1CC(=O)Nc1c(CC)cccc1CC ZINC000934471445 618627337 /nfs/dbraw/zinc/62/73/37/618627337.db2.gz JOONFTGJNGGZDS-INIZCTEOSA-N 1 1 286.419 3.400 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1CC(=O)Nc1c(CC)cccc1CC ZINC000934471445 618627341 /nfs/dbraw/zinc/62/73/41/618627341.db2.gz JOONFTGJNGGZDS-INIZCTEOSA-N 1 1 286.419 3.400 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1coc(-c2ccccc2)n1 ZINC000934472057 618627650 /nfs/dbraw/zinc/62/76/50/618627650.db2.gz NWXDFXQFUNKKIG-OAHLLOKOSA-N 1 1 254.333 3.492 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1coc(-c2ccccc2)n1 ZINC000934472057 618627654 /nfs/dbraw/zinc/62/76/54/618627654.db2.gz NWXDFXQFUNKKIG-OAHLLOKOSA-N 1 1 254.333 3.492 20 30 CGEDMO C=CCCC[N@@H+](CC)Cc1csc(C(=O)OCC)n1 ZINC000934649650 618664950 /nfs/dbraw/zinc/66/49/50/618664950.db2.gz WEMQPJWXFRGFDN-UHFFFAOYSA-N 1 1 282.409 3.108 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1csc(C(=O)OCC)n1 ZINC000934649650 618664952 /nfs/dbraw/zinc/66/49/52/618664952.db2.gz WEMQPJWXFRGFDN-UHFFFAOYSA-N 1 1 282.409 3.108 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000934835764 618701391 /nfs/dbraw/zinc/70/13/91/618701391.db2.gz WNUVYLFGKYEYSL-RTBURBONSA-N 1 1 298.430 3.239 20 30 CGEDMO C=C(Br)C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000179693851 618913683 /nfs/dbraw/zinc/91/36/83/618913683.db2.gz QLQFYTGDDANOPZ-UHFFFAOYSA-N 1 1 270.145 3.313 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1cccc(OCC)c1OC(F)F ZINC000775185303 619006802 /nfs/dbraw/zinc/00/68/02/619006802.db2.gz ZUXRTIXLWNJWSE-NSHDSACASA-N 1 1 283.318 3.140 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1cccc(OCC)c1OC(F)F ZINC000775185303 619006804 /nfs/dbraw/zinc/00/68/04/619006804.db2.gz ZUXRTIXLWNJWSE-NSHDSACASA-N 1 1 283.318 3.140 20 30 CGEDMO CC#CC[N@@H+](C)Cc1cncc(-c2cc(F)ccc2OC)c1 ZINC000930587878 619024399 /nfs/dbraw/zinc/02/43/99/619024399.db2.gz FCMXTMHFRCYNPP-UHFFFAOYSA-N 1 1 298.361 3.351 20 30 CGEDMO CC#CC[N@H+](C)Cc1cncc(-c2cc(F)ccc2OC)c1 ZINC000930587878 619024401 /nfs/dbraw/zinc/02/44/01/619024401.db2.gz FCMXTMHFRCYNPP-UHFFFAOYSA-N 1 1 298.361 3.351 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)CC2CCCC2)C1 ZINC001006640354 619075445 /nfs/dbraw/zinc/07/54/45/619075445.db2.gz UQVUOZYPPBERFM-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]2C2CCOCC2)cs1 ZINC000893318067 619090180 /nfs/dbraw/zinc/09/01/80/619090180.db2.gz QSRIGASEYLTTFO-OAHLLOKOSA-N 1 1 276.405 3.011 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)CC2CCCCC2)C1 ZINC001006669339 619148918 /nfs/dbraw/zinc/14/89/18/619148918.db2.gz UHKHUXQPYYDKSU-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO CCCC[N@@H+](CCOC)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000093323014 619184070 /nfs/dbraw/zinc/18/40/70/619184070.db2.gz JVZCMLPAWXFLSY-OAHLLOKOSA-N 1 1 290.407 3.226 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000894092172 619370134 /nfs/dbraw/zinc/37/01/34/619370134.db2.gz YRRCQTXWAHTLNA-ZNMIVQPWSA-N 1 1 294.439 3.330 20 30 CGEDMO C[C@H]1CC(=NOCC2CC2)C[N@H+]1Cc1ccccc1 ZINC000814245117 619418379 /nfs/dbraw/zinc/41/83/79/619418379.db2.gz SEBUBUIKSWBFJW-ZDUSSCGKSA-N 1 1 258.365 3.063 20 30 CGEDMO C[C@@]1(C#N)CCC[N@H+](Cc2cccc3c2NCCC3)C1 ZINC000894443953 619538841 /nfs/dbraw/zinc/53/88/41/619538841.db2.gz JAUBKHNNOBHAGL-KRWDZBQOSA-N 1 1 269.392 3.170 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](Cc2cccc3c2NCCC3)C1 ZINC000894443953 619538845 /nfs/dbraw/zinc/53/88/45/619538845.db2.gz JAUBKHNNOBHAGL-KRWDZBQOSA-N 1 1 269.392 3.170 20 30 CGEDMO C=CC[N@H+](C)CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000894493803 619555475 /nfs/dbraw/zinc/55/54/75/619555475.db2.gz DEIBGQUOMGCTFW-GOOCMWNKSA-N 1 1 294.439 3.282 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCCc3occc3C2)cs1 ZINC000894529179 619564566 /nfs/dbraw/zinc/56/45/66/619564566.db2.gz ZDAGZZUFZMZMQJ-UHFFFAOYSA-N 1 1 258.346 3.161 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCCc3occc3C2)cs1 ZINC000894529179 619564573 /nfs/dbraw/zinc/56/45/73/619564573.db2.gz ZDAGZZUFZMZMQJ-UHFFFAOYSA-N 1 1 258.346 3.161 20 30 CGEDMO CC1(C)C[N@H+](Cc2csc(C#N)c2)[C@@H]1[C@H]1CCCO1 ZINC000894535989 619567726 /nfs/dbraw/zinc/56/77/26/619567726.db2.gz PERPEMUESVHFLM-ZIAGYGMSSA-N 1 1 276.405 3.009 20 30 CGEDMO CC1(C)C[N@@H+](Cc2csc(C#N)c2)[C@@H]1[C@H]1CCCO1 ZINC000894535989 619567730 /nfs/dbraw/zinc/56/77/30/619567730.db2.gz PERPEMUESVHFLM-ZIAGYGMSSA-N 1 1 276.405 3.009 20 30 CGEDMO C[C@H](C[N@@H+](C)Cc1csc(C#N)c1)C(=O)OC(C)(C)C ZINC000894867684 619660219 /nfs/dbraw/zinc/66/02/19/619660219.db2.gz VMFFAMDILDRRRK-LLVKDONJSA-N 1 1 294.420 3.029 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccccc2OCC(F)F)CCC1 ZINC000895025304 619698644 /nfs/dbraw/zinc/69/86/44/619698644.db2.gz IHQHQGDPCLXUIS-UHFFFAOYSA-N 1 1 280.318 3.114 20 30 CGEDMO CCCCCCCCCC[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000794867669 619778447 /nfs/dbraw/zinc/77/84/47/619778447.db2.gz ZYUSCLMNTRRGID-ZSHCYNCHSA-N 1 1 253.430 3.297 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@H](CC#N)C2)c2c(n1)CCCC2 ZINC000895314131 619803795 /nfs/dbraw/zinc/80/37/95/619803795.db2.gz QOSRGYZXJYCFFH-OAHLLOKOSA-N 1 1 283.419 3.395 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2cn3ccnc3s2)C1 ZINC000895337762 619807404 /nfs/dbraw/zinc/80/74/04/619807404.db2.gz LKASEFDQEIFQBB-GFCCVEGCSA-N 1 1 261.394 3.184 20 30 CGEDMO C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000895380035 619817003 /nfs/dbraw/zinc/81/70/03/619817003.db2.gz XCIBOXLKRHMLEA-YJBOKZPZSA-N 1 1 285.435 3.110 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000895582595 619856530 /nfs/dbraw/zinc/85/65/30/619856530.db2.gz IKUAOYLCNMAHMB-GFCCVEGCSA-N 1 1 263.410 3.262 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCc2cc(F)c(F)cc2C1 ZINC000895655357 619864220 /nfs/dbraw/zinc/86/42/20/619864220.db2.gz HQPKICIJQOZMPD-NSHDSACASA-N 1 1 264.319 3.263 20 30 CGEDMO C=CCCCN(CC)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000896009374 619928769 /nfs/dbraw/zinc/92/87/69/619928769.db2.gz AVMWKJBMYINYOQ-INIZCTEOSA-N 1 1 293.455 3.001 20 30 CGEDMO CSc1ccc(C[NH2+]Cc2nccn2C2CC2)cc1C#N ZINC000896046497 619936724 /nfs/dbraw/zinc/93/67/24/619936724.db2.gz SDJXJSDFKUKJQY-UHFFFAOYSA-N 1 1 298.415 3.101 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)C2CCC(F)CC2)CC1 ZINC000985621796 620222302 /nfs/dbraw/zinc/22/23/02/620222302.db2.gz VROWVCARGOJWSP-UHFFFAOYSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)c2ccc(C=C)cc2)CC1 ZINC000985664993 620228332 /nfs/dbraw/zinc/22/83/32/620228332.db2.gz QTOSCBARNKPDAL-UHFFFAOYSA-N 1 1 284.403 3.052 20 30 CGEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@@H]2CC[C@H](C)C2)CC1 ZINC000985689528 620229561 /nfs/dbraw/zinc/22/95/61/620229561.db2.gz RPLOUZYJUOOYBW-GXTWGEPZSA-N 1 1 298.858 3.098 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)C2(CC)CCCCC2)CC1 ZINC000989719773 620522188 /nfs/dbraw/zinc/52/21/88/620522188.db2.gz LFLGECICAFPBNE-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCC[N@H+]1CCCN(C(=O)[C@@H](C=C)c2ccccc2)CC1 ZINC000989718741 620522220 /nfs/dbraw/zinc/52/22/20/620522220.db2.gz CBAPRZIUMPEHHF-SFHVURJKSA-N 1 1 298.430 3.067 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)CC3CCCC3)CCC[C@H]12 ZINC000989921357 620531616 /nfs/dbraw/zinc/53/16/16/620531616.db2.gz HCAKQUPOHFMDGC-FUHWJXTLSA-N 1 1 290.451 3.256 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)C3CC(C)C3)CCC[C@H]12 ZINC000990178481 620538230 /nfs/dbraw/zinc/53/82/30/620538230.db2.gz YPXYCGWBCJUTAT-OBQMCRIKSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)C3CC(C)(C)C3)CCC[C@@H]12 ZINC000990539259 620553283 /nfs/dbraw/zinc/55/32/83/620553283.db2.gz CAFJGMSFDCRLOW-CRAIPNDOSA-N 1 1 290.451 3.112 20 30 CGEDMO C[N@@H+](CCCNCc1csc(C#N)c1)Cc1ccccc1 ZINC000921503774 625458663 /nfs/dbraw/zinc/45/86/63/625458663.db2.gz CLRCDJQALKHMPY-UHFFFAOYSA-N 1 1 299.443 3.231 20 30 CGEDMO CN(CCC[NH2+]Cc1csc(C#N)c1)Cc1ccccc1 ZINC000921503774 625458665 /nfs/dbraw/zinc/45/86/65/625458665.db2.gz CLRCDJQALKHMPY-UHFFFAOYSA-N 1 1 299.443 3.231 20 30 CGEDMO Cc1cc(NCc2ccc(C3(C#N)CC3)cc2)nc(C)[nH+]1 ZINC000902168909 621182345 /nfs/dbraw/zinc/18/23/45/621182345.db2.gz AYPYSOIKMCWFBS-UHFFFAOYSA-N 1 1 278.359 3.261 20 30 CGEDMO CCCN1CCC([NH2+][C@H](CC)c2cccc(C#N)c2)CC1 ZINC000902727973 621414519 /nfs/dbraw/zinc/41/45/19/621414519.db2.gz IFDWVSJYDSCPQW-GOSISDBHSA-N 1 1 285.435 3.473 20 30 CGEDMO CCC[NH+]1CCC(N[C@H](CC)c2cccc(C#N)c2)CC1 ZINC000902727973 621414532 /nfs/dbraw/zinc/41/45/32/621414532.db2.gz IFDWVSJYDSCPQW-GOSISDBHSA-N 1 1 285.435 3.473 20 30 CGEDMO C=CCC[C@H]([NH2+]Cc1cn[nH]c1C)[C@@]1(C)CCCCO1 ZINC000902873089 621476604 /nfs/dbraw/zinc/47/66/04/621476604.db2.gz VBFPADJYFRTHEP-JKSUJKDBSA-N 1 1 277.412 3.102 20 30 CGEDMO CC[C@H]([NH2+]Cc1ccn(CC)n1)c1cccc(C#N)c1 ZINC000903018721 621520693 /nfs/dbraw/zinc/52/06/93/621520693.db2.gz GNACUJKALJBIDI-INIZCTEOSA-N 1 1 268.364 3.016 20 30 CGEDMO Cc1c([C@@H](C)[NH2+]CC2(C#N)CCC2)cnn1C(C)C ZINC000903032235 621535510 /nfs/dbraw/zinc/53/55/10/621535510.db2.gz GYYUCKNIBNQDIF-GFCCVEGCSA-N 1 1 260.385 3.117 20 30 CGEDMO C=CCC[C@@H]([NH2+]Cc1nncn1C)c1cccc(Cl)c1 ZINC000903067317 621553039 /nfs/dbraw/zinc/55/30/39/621553039.db2.gz REDWCNNQERAFAH-CQSZACIVSA-N 1 1 290.798 3.266 20 30 CGEDMO C=C(C)C[NH+]1CCC(N[C@H](c2ccccn2)C2CC2)CC1 ZINC000903090437 621566711 /nfs/dbraw/zinc/56/67/11/621566711.db2.gz BDLYWKCKZQLBDJ-SFHVURJKSA-N 1 1 285.435 3.163 20 30 CGEDMO COc1ccc2c(c1)[C@H]([NH2+]CC(C)(C)C#N)CCCO2 ZINC000903099919 621573031 /nfs/dbraw/zinc/57/30/31/621573031.db2.gz BYXGGFCVPHUENK-CQSZACIVSA-N 1 1 274.364 3.048 20 30 CGEDMO CC(C)(C#N)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000903102168 621575956 /nfs/dbraw/zinc/57/59/56/621575956.db2.gz SXCUIPKXWZFRKS-AWEZNQCLSA-N 1 1 287.363 3.457 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1ccnc(Cl)c1 ZINC000903109223 621583116 /nfs/dbraw/zinc/58/31/16/621583116.db2.gz ZQCIDGCYLUYXEJ-LLVKDONJSA-N 1 1 263.772 3.470 20 30 CGEDMO N#CC1(CCCC[N@H+](C2CC2)C2CCNCC2)CCC1 ZINC000903713582 621798074 /nfs/dbraw/zinc/79/80/74/621798074.db2.gz WRGWITGCZWLEQF-UHFFFAOYSA-N 1 1 275.440 3.067 20 30 CGEDMO N#CC1(CCCC[N@@H+](C2CC2)C2CCNCC2)CCC1 ZINC000903713582 621798081 /nfs/dbraw/zinc/79/80/81/621798081.db2.gz WRGWITGCZWLEQF-UHFFFAOYSA-N 1 1 275.440 3.067 20 30 CGEDMO C=CCCC[N@@H+](CC)C[C@H](CN)c1ccc(OC)cc1 ZINC000903850710 621821233 /nfs/dbraw/zinc/82/12/33/621821233.db2.gz XQMDULOACUSMDS-INIZCTEOSA-N 1 1 276.424 3.026 20 30 CGEDMO C=CCCC[N@H+](CC)C[C@H](CN)c1ccc(OC)cc1 ZINC000903850710 621821235 /nfs/dbraw/zinc/82/12/35/621821235.db2.gz XQMDULOACUSMDS-INIZCTEOSA-N 1 1 276.424 3.026 20 30 CGEDMO C=CC[C@H]1[N@H+](Cc2cn(C3CC3)nn2)CCCC1(C)C ZINC000906299604 622214724 /nfs/dbraw/zinc/21/47/24/622214724.db2.gz QJMHKYSLBLCZFZ-OAHLLOKOSA-N 1 1 274.412 3.180 20 30 CGEDMO C=C1CCC(C(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)CC1 ZINC000908359420 622345271 /nfs/dbraw/zinc/34/52/71/622345271.db2.gz VNIMAROTJGXFOW-HNNXBMFYSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCc1cc(C[N@H+](CC)C[C@H](C)C#N)c(O)c(OC)c1 ZINC000164225045 622820699 /nfs/dbraw/zinc/82/06/99/622820699.db2.gz FBBHRIBXZDAEQM-CYBMUJFWSA-N 1 1 288.391 3.111 20 30 CGEDMO C=CCc1cc(C[N@@H+](CC)C[C@H](C)C#N)c(O)c(OC)c1 ZINC000164225045 622820701 /nfs/dbraw/zinc/82/07/01/622820701.db2.gz FBBHRIBXZDAEQM-CYBMUJFWSA-N 1 1 288.391 3.111 20 30 CGEDMO CCCCCCCC[N@@H+](C)C[C@H]1CCN(C(C)=O)C1 ZINC000156529484 622823618 /nfs/dbraw/zinc/82/36/18/622823618.db2.gz NWPRLXNOVLSZGE-MRXNPFEDSA-N 1 1 268.445 3.147 20 30 CGEDMO C=CCc1cc(C[N@H+]2CCC[C@@H]2C)c(O)c(OC)c1 ZINC000164431219 622835029 /nfs/dbraw/zinc/83/50/29/622835029.db2.gz YGVSKPNOBAODCP-LBPRGKRZSA-N 1 1 261.365 3.114 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000929697796 623512781 /nfs/dbraw/zinc/51/27/81/623512781.db2.gz VFVORXMDNKQUIW-QGZVFWFLSA-N 1 1 297.446 3.093 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3cc(C)cc(C)c3)CCC[C@H]12 ZINC000992458586 623573350 /nfs/dbraw/zinc/57/33/50/623573350.db2.gz KSQOEZDYOPGEGJ-HKUYNNGSSA-N 1 1 298.430 3.216 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3ccc(C)c(C)c3)CCC[C@@H]12 ZINC000992474300 623584197 /nfs/dbraw/zinc/58/41/97/623584197.db2.gz ZYUKZNOHYMVYKL-IEBWSBKVSA-N 1 1 298.430 3.216 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C)c2)[C@@H]1C ZINC000992987725 623770584 /nfs/dbraw/zinc/77/05/84/623770584.db2.gz QUNVWTHLLQQQKF-RDJZCZTQSA-N 1 1 286.419 3.154 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C)o2)[C@@H]1C ZINC000993003749 623786046 /nfs/dbraw/zinc/78/60/46/623786046.db2.gz LLSDQUHMMCKPBX-GJZGRUSLSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cl)o2)[C@H]1C ZINC000993032986 623800297 /nfs/dbraw/zinc/80/02/97/623800297.db2.gz DAONEJKUEMQLSW-NEPJUHHUSA-N 1 1 296.798 3.092 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2cscc2C)[C@@H]1C ZINC000993198944 623944058 /nfs/dbraw/zinc/94/40/58/623944058.db2.gz FWZHCUYPJWCVPU-DZGCQCFKSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cscc2C)[C@@H]1C ZINC000993206761 623958332 /nfs/dbraw/zinc/95/83/32/623958332.db2.gz NQWDCAKRCRZKAL-ZFWWWQNUSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccoc2CCC)[C@H]1C ZINC000994227663 624071521 /nfs/dbraw/zinc/07/15/21/624071521.db2.gz HYOQVPLEQDAJPR-UKRRQHHQSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1ccc(C)c(C)c1)C(C)C ZINC000917167137 624248546 /nfs/dbraw/zinc/24/85/46/624248546.db2.gz VYKOKRKBDCFFPB-UHFFFAOYSA-N 1 1 260.381 3.138 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2coc3ccccc23)[C@@H]1C ZINC000994521630 624269188 /nfs/dbraw/zinc/26/91/88/624269188.db2.gz ASGQRMWQYNWCHM-BBRMVZONSA-N 1 1 298.386 3.202 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000929991831 624301583 /nfs/dbraw/zinc/30/15/83/624301583.db2.gz KHQUEDDYOYQQPT-MRXNPFEDSA-N 1 1 294.402 3.278 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)[C@@H]1C ZINC000994538423 624310998 /nfs/dbraw/zinc/31/09/98/624310998.db2.gz UJDHIMIPDRPRBY-KBPBESRZSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C(C)CNc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000917823067 624313552 /nfs/dbraw/zinc/31/35/52/624313552.db2.gz ITKFDYABVRAASL-GASCZTMLSA-N 1 1 274.408 3.284 20 30 CGEDMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cncc(C#N)c1 ZINC000930006712 624330792 /nfs/dbraw/zinc/33/07/92/624330792.db2.gz WOMVQPYGQHQBNY-XJKSGUPXSA-N 1 1 257.381 3.354 20 30 CGEDMO C[C@@H](c1ccco1)[N@H+](Cc1cncc(C#N)c1)C1CC1 ZINC000930023304 624346629 /nfs/dbraw/zinc/34/66/29/624346629.db2.gz KCDHKASRMIJEAS-LBPRGKRZSA-N 1 1 267.332 3.272 20 30 CGEDMO C[C@@H](c1ccco1)[N@@H+](Cc1cncc(C#N)c1)C1CC1 ZINC000930023304 624346631 /nfs/dbraw/zinc/34/66/31/624346631.db2.gz KCDHKASRMIJEAS-LBPRGKRZSA-N 1 1 267.332 3.272 20 30 CGEDMO C#CC[N@@H+](CCCSCC#N)[C@@H]1CCc2ccccc21 ZINC000072515016 624415130 /nfs/dbraw/zinc/41/51/30/624415130.db2.gz UBVSLSKNIWSZSB-QGZVFWFLSA-N 1 1 284.428 3.256 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+](C)Cc1cccc(F)c1 ZINC000920489898 624506500 /nfs/dbraw/zinc/50/65/00/624506500.db2.gz PGFXFKFWSYMVAC-UHFFFAOYSA-N 1 1 283.346 3.470 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)c2ccccc2)CC1 ZINC000997924692 625773629 /nfs/dbraw/zinc/77/36/29/625773629.db2.gz CWUXPNCKDKCXEK-SFHVURJKSA-N 1 1 298.430 3.027 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2cc(C)co2)CC1 ZINC000998101124 625788053 /nfs/dbraw/zinc/78/80/53/625788053.db2.gz GIIAGXVXIILHBL-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2C)CC1 ZINC000998094102 625788312 /nfs/dbraw/zinc/78/83/12/625788312.db2.gz NBKDNFFYHIEWGL-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]Cc1ccnn1C1CCC1 ZINC000921724875 625855294 /nfs/dbraw/zinc/85/52/94/625855294.db2.gz LSLNSEZUPRGLTK-UHFFFAOYSA-N 1 1 297.402 3.463 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCCC[C@H]2C)CC1 ZINC001001100523 625889591 /nfs/dbraw/zinc/88/95/91/625889591.db2.gz OTKQQHNJVWKZPE-WBVHZDCISA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001001111555 625890830 /nfs/dbraw/zinc/89/08/30/625890830.db2.gz RQYHRAXEGKUTPQ-NVXWUHKLSA-N 1 1 290.451 3.137 20 30 CGEDMO CC(C)C[N@H+]1CCC[C@@H](CNCc2csc(C#N)c2)C1 ZINC000921915342 625927542 /nfs/dbraw/zinc/92/75/42/625927542.db2.gz TYJKFLSGCZLVEW-AWEZNQCLSA-N 1 1 291.464 3.077 20 30 CGEDMO COc1ccccc1C1([NH2+]Cc2csc(C#N)c2)CC1 ZINC000922210432 625984309 /nfs/dbraw/zinc/98/43/09/625984309.db2.gz SITKVONDHGKKDB-UHFFFAOYSA-N 1 1 284.384 3.407 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2CC(C)C)CC1 ZINC001003655802 625986262 /nfs/dbraw/zinc/98/62/62/625986262.db2.gz MUKNGUILHVWGRA-UKRRQHHQSA-N 1 1 298.858 3.002 20 30 CGEDMO N#CC1(C[NH2+]Cc2cccc3[nH]c(=O)oc32)CCCCC1 ZINC000922251179 625990482 /nfs/dbraw/zinc/99/04/82/625990482.db2.gz YHYJHTBCEFAGJB-UHFFFAOYSA-N 1 1 285.347 3.097 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2C[C@]2(C)C(C)C)CC1 ZINC001003882915 625995361 /nfs/dbraw/zinc/99/53/61/625995361.db2.gz YRBPUJLMVLUUJM-GDBMZVCRSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C1CCC(C[NH2+]Cc2ccnn2-c2ccncc2)CC1 ZINC000922711767 626037872 /nfs/dbraw/zinc/03/78/72/626037872.db2.gz WBNSWKXSVXYACC-UHFFFAOYSA-N 1 1 282.391 3.103 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)C)CC1 ZINC001004348588 626041362 /nfs/dbraw/zinc/04/13/62/626041362.db2.gz XZBUMGVGWWRIQH-QGZVFWFLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](F)CC)CC1 ZINC001004498913 626064259 /nfs/dbraw/zinc/06/42/59/626064259.db2.gz JDDBHTNWSZGRCP-JKSUJKDBSA-N 1 1 296.430 3.014 20 30 CGEDMO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccc(C)nc1C ZINC000186786311 626075572 /nfs/dbraw/zinc/07/55/72/626075572.db2.gz WWCYYXKXWHRNJW-UHFFFAOYSA-N 1 1 282.362 3.473 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(C)nc1C ZINC000186786311 626075576 /nfs/dbraw/zinc/07/55/76/626075576.db2.gz WWCYYXKXWHRNJW-UHFFFAOYSA-N 1 1 282.362 3.473 20 30 CGEDMO C=CCCC[N@H+]1CCOC[C@@H]1C[C@@H]1CNc2ccccc21 ZINC000923556566 626163926 /nfs/dbraw/zinc/16/39/26/626163926.db2.gz POVGOFXVNCOXKY-CVEARBPZSA-N 1 1 286.419 3.253 20 30 CGEDMO C=CCCCCCCNC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000838590940 626240054 /nfs/dbraw/zinc/24/00/54/626240054.db2.gz CXGKWAURKNAVLW-INIZCTEOSA-N 1 1 295.471 3.247 20 30 CGEDMO Cc1[nH+]ccn1-c1ccc(C(C)N=Nc2ccccn2)cc1 ZINC000751519744 626393991 /nfs/dbraw/zinc/39/39/91/626393991.db2.gz ACKBQBZUTPHSDB-UHFFFAOYSA-N 1 1 291.358 3.412 20 30 CGEDMO CC#CC[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000751559691 626395943 /nfs/dbraw/zinc/39/59/43/626395943.db2.gz ZHTFETOVZGTMFT-ZWKOTPCHSA-N 1 1 271.404 3.378 20 30 CGEDMO C=CCCC(CC)=[NH+]n1cc(Br)cn1 ZINC000752746843 626437230 /nfs/dbraw/zinc/43/72/30/626437230.db2.gz KRGALFLWRQPJQS-UHFFFAOYSA-N 1 1 256.147 3.226 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)CCC(=O)C(C)(C)C ZINC000753731055 626463524 /nfs/dbraw/zinc/46/35/24/626463524.db2.gz FPCSVMJGWALJNZ-UHFFFAOYSA-N 1 1 252.402 3.253 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)CCC(=O)C(C)(C)C ZINC000753731055 626463526 /nfs/dbraw/zinc/46/35/26/626463526.db2.gz FPCSVMJGWALJNZ-UHFFFAOYSA-N 1 1 252.402 3.253 20 30 CGEDMO Cc1cc(O)c(C[N@@H+](C[C@H](C)C#N)C2CC2)cc1C ZINC000753988290 626470836 /nfs/dbraw/zinc/47/08/36/626470836.db2.gz OQAFUKGLSIMUSI-LLVKDONJSA-N 1 1 258.365 3.133 20 30 CGEDMO Cc1cc(O)c(C[N@H+](C[C@H](C)C#N)C2CC2)cc1C ZINC000753988290 626470837 /nfs/dbraw/zinc/47/08/37/626470837.db2.gz OQAFUKGLSIMUSI-LLVKDONJSA-N 1 1 258.365 3.133 20 30 CGEDMO CC(C)[N@@H+]1CC(N=Nc2cccc3ncccc23)[C@@H](C)C1 ZINC000754257347 626565367 /nfs/dbraw/zinc/56/53/67/626565367.db2.gz HVUPMHWFXHPHJT-ZDUSSCGKSA-N 1 1 282.391 3.363 20 30 CGEDMO C[C@@H]1CC(=NOc2ccccc2C(F)(F)F)C[N@@H+]1C ZINC000754712876 626583779 /nfs/dbraw/zinc/58/37/79/626583779.db2.gz WKKHYINUAVIANF-SECBINFHSA-N 1 1 272.270 3.164 20 30 CGEDMO C[C@@H]1CC(=NOc2ccccc2C(F)(F)F)C[N@H+]1C ZINC000754712876 626583780 /nfs/dbraw/zinc/58/37/80/626583780.db2.gz WKKHYINUAVIANF-SECBINFHSA-N 1 1 272.270 3.164 20 30 CGEDMO C=CCc1cc(C[N@H+]2C[C@H](C)C[C@@H]2C)c(O)c(OC)c1 ZINC000754740789 626585797 /nfs/dbraw/zinc/58/57/97/626585797.db2.gz HPBZJJWFVIMEOX-OLZOCXBDSA-N 1 1 275.392 3.360 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@H+]2C[C@H](C)C[C@@H]2C)c1O ZINC000754741330 626585886 /nfs/dbraw/zinc/58/58/86/626585886.db2.gz LGCHAEFJWHRWGR-OLZOCXBDSA-N 1 1 275.392 3.360 20 30 CGEDMO CCCCCCCCNC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000754864699 626590979 /nfs/dbraw/zinc/59/09/79/626590979.db2.gz KUADDCKAYMLKCF-HZPDHXFCSA-N 1 1 295.471 3.273 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)CCOc1ccc(F)cc1 ZINC000755670200 626635689 /nfs/dbraw/zinc/63/56/89/626635689.db2.gz OTOQEMASFFXIAD-UHFFFAOYSA-N 1 1 264.344 3.076 20 30 CGEDMO CC(C)C[N@H+](CCC#N)CCOc1ccc(F)cc1 ZINC000755670200 626635691 /nfs/dbraw/zinc/63/56/91/626635691.db2.gz OTOQEMASFFXIAD-UHFFFAOYSA-N 1 1 264.344 3.076 20 30 CGEDMO CCCCCCCC[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000756896549 626739736 /nfs/dbraw/zinc/73/97/36/626739736.db2.gz LCBDEOIFBFHCBG-HOTGVXAUSA-N 1 1 269.429 3.227 20 30 CGEDMO C#CC[N@@H+](CC(=O)Nc1cccc(Cl)c1)C1CCCC1 ZINC000756911592 626740945 /nfs/dbraw/zinc/74/09/45/626740945.db2.gz TVCAJMQIQGNIFF-UHFFFAOYSA-N 1 1 290.794 3.156 20 30 CGEDMO C#CC[N@H+](CC(=O)Nc1cccc(Cl)c1)C1CCCC1 ZINC000756911592 626740951 /nfs/dbraw/zinc/74/09/51/626740951.db2.gz TVCAJMQIQGNIFF-UHFFFAOYSA-N 1 1 290.794 3.156 20 30 CGEDMO Cc1ccc(N[NH+]=Cc2ccc(N3CCCC3)nc2)cc1 ZINC000758358238 626839003 /nfs/dbraw/zinc/83/90/03/626839003.db2.gz HIQIVDZHUVWHGT-UHFFFAOYSA-N 1 1 280.375 3.436 20 30 CGEDMO C#CCOc1ccccc1CNc1[nH+]c2ccccc2n1C ZINC000762532863 627114842 /nfs/dbraw/zinc/11/48/42/627114842.db2.gz GWXVSNLBYMYBGV-UHFFFAOYSA-N 1 1 291.354 3.197 20 30 CGEDMO CC[N@@H+](CC#CCOC)Cc1ccc(C(F)(F)F)cc1 ZINC000762917026 627131631 /nfs/dbraw/zinc/13/16/31/627131631.db2.gz JVIQBBMJAUSBMG-UHFFFAOYSA-N 1 1 285.309 3.177 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000763432328 627158228 /nfs/dbraw/zinc/15/82/28/627158228.db2.gz IZZLCPDPQUCILT-UHFFFAOYSA-N 1 1 265.769 3.047 20 30 CGEDMO C[C@@H]1C[N@H+](C[C@H](C#N)CCC#N)Cc2ccccc21 ZINC000763629185 627170905 /nfs/dbraw/zinc/17/09/05/627170905.db2.gz PSAPBAQLIRDGTA-KGLIPLIRSA-N 1 1 253.349 3.049 20 30 CGEDMO C[C@@H]1C[N@@H+](C[C@H](C#N)CCC#N)Cc2ccccc21 ZINC000763629185 627170909 /nfs/dbraw/zinc/17/09/09/627170909.db2.gz PSAPBAQLIRDGTA-KGLIPLIRSA-N 1 1 253.349 3.049 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)C1CC1 ZINC000763959229 627187823 /nfs/dbraw/zinc/18/78/23/627187823.db2.gz BBIZRLHYWHVBTC-UHFFFAOYSA-N 1 1 285.387 3.240 20 30 CGEDMO Cc1[nH+]c(C=NNCc2cccc(C)c2)c2ccccn12 ZINC000764715473 627219810 /nfs/dbraw/zinc/21/98/10/627219810.db2.gz PPABLRAXKMVQBY-UHFFFAOYSA-N 1 1 278.359 3.075 20 30 CGEDMO C[C@H]1CC(=NOCC(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000764838255 627228570 /nfs/dbraw/zinc/22/85/70/627228570.db2.gz BCNTTZDXYBKTKL-NSHDSACASA-N 1 1 286.297 3.216 20 30 CGEDMO Fc1c(Cl)cccc1N=NC1CC[N@H+]2CCC[C@@H]12 ZINC000765573364 627260269 /nfs/dbraw/zinc/26/02/69/627260269.db2.gz YRVJCCIHRPPHDE-LBPRGKRZSA-N 1 1 267.735 3.115 20 30 CGEDMO CCCCCC[N@@H+](C)CC(=O)N1CCCC(C)(C)[C@@H]1C#N ZINC000765778261 627270018 /nfs/dbraw/zinc/27/00/18/627270018.db2.gz YDBHPTCUHAAANR-HNNXBMFYSA-N 1 1 293.455 3.039 20 30 CGEDMO C=CC[N@H+](CCC(=O)Nc1ccccc1OCC)C(C)C ZINC000766856319 627364172 /nfs/dbraw/zinc/36/41/72/627364172.db2.gz UICYBKPCRFDPOZ-UHFFFAOYSA-N 1 1 290.407 3.310 20 30 CGEDMO C#CCCCOC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000766888763 627367042 /nfs/dbraw/zinc/36/70/42/627367042.db2.gz QYUUFFMYGASZDA-UHFFFAOYSA-N 1 1 287.403 3.487 20 30 CGEDMO C#CCCC[N@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000766896634 627368711 /nfs/dbraw/zinc/36/87/11/627368711.db2.gz VXJGMOWPJLEUNR-ROUUACIJSA-N 1 1 271.404 3.500 20 30 CGEDMO C#CCCC[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000766935826 627372153 /nfs/dbraw/zinc/37/21/53/627372153.db2.gz QEZRDQCVKVJHAQ-ZDUSSCGKSA-N 1 1 263.768 3.207 20 30 CGEDMO C[C@H]1CCC[C@@H](C=[NH+]n2cc(Br)cn2)C1 ZINC000768367402 627476481 /nfs/dbraw/zinc/47/64/81/627476481.db2.gz QAFDQFIGFMOWGB-VHSXEESVSA-N 1 1 270.174 3.306 20 30 CGEDMO C#CCOc1ccc(C[N@H+]([C@@H](C)C2CC2)C2CC2)cc1 ZINC000768533404 627484747 /nfs/dbraw/zinc/48/47/47/627484747.db2.gz WPLAQKPIQQWAET-AWEZNQCLSA-N 1 1 269.388 3.462 20 30 CGEDMO C#CC[N@@H+](Cc1ccc2c(c1)COC2)C1CCCCC1 ZINC000769145232 627525834 /nfs/dbraw/zinc/52/58/34/627525834.db2.gz FHQUIWHJGWUAOY-UHFFFAOYSA-N 1 1 269.388 3.485 20 30 CGEDMO C=CC1CC[NH+](Cc2occc2Br)CC1 ZINC000769401350 627548903 /nfs/dbraw/zinc/54/89/03/627548903.db2.gz JAABXHBRFTXAHM-UHFFFAOYSA-N 1 1 270.170 3.440 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CCC(C)(C)C2)cc1 ZINC000769399492 627549092 /nfs/dbraw/zinc/54/90/92/627549092.db2.gz SHPBSDVGMSZWPA-UHFFFAOYSA-N 1 1 257.377 3.321 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000769449132 627553843 /nfs/dbraw/zinc/55/38/43/627553843.db2.gz ZSRSDENSZAIYNM-GASCZTMLSA-N 1 1 257.377 3.177 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000769462691 627555673 /nfs/dbraw/zinc/55/56/73/627555673.db2.gz KRGYQJWBPMIGSN-UHFFFAOYSA-N 1 1 250.361 3.290 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+]1CCCC[C@H](SC)C1 ZINC000770350940 627614385 /nfs/dbraw/zinc/61/43/85/627614385.db2.gz QTEIIAAQYZPRPH-INIZCTEOSA-N 1 1 289.444 3.416 20 30 CGEDMO CCC[N@H+]1CC[C@@H](CNc2nc3ccccc3cc2C#N)C1 ZINC000774519283 627999954 /nfs/dbraw/zinc/99/99/54/627999954.db2.gz XCZOMQJFQFWJPA-AWEZNQCLSA-N 1 1 294.402 3.250 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(OC)c(OCC(=C)C)c1 ZINC000775184329 628070963 /nfs/dbraw/zinc/07/09/63/628070963.db2.gz VSEGOLLOBOUPNY-CQSZACIVSA-N 1 1 273.376 3.104 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccc(-c2ccccc2C(=O)OC)o1 ZINC000775907099 628147650 /nfs/dbraw/zinc/14/76/50/628147650.db2.gz FHBZTVMBQAWJFR-UHFFFAOYSA-N 1 1 297.354 3.188 20 30 CGEDMO C#CCCC[NH2+][C@H](C(=O)OCc1ccccc1)C(C)(C)C ZINC000777746077 628297556 /nfs/dbraw/zinc/29/75/56/628297556.db2.gz FWHZGVPQULQVHZ-MRXNPFEDSA-N 1 1 287.403 3.148 20 30 CGEDMO CCCCCCC[N@@H+](CC)C[C@H](O)C(F)(F)F ZINC000778201570 628333404 /nfs/dbraw/zinc/33/34/04/628333404.db2.gz LBHHOLVXSLXOGR-NSHDSACASA-N 1 1 255.324 3.202 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000778981162 628380804 /nfs/dbraw/zinc/38/08/04/628380804.db2.gz MQVYDDVNTIVBBU-KBPBESRZSA-N 1 1 282.428 3.188 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000779188279 628393077 /nfs/dbraw/zinc/39/30/77/628393077.db2.gz KDZOFCUUHFZPQF-SFHVURJKSA-N 1 1 299.414 3.090 20 30 CGEDMO C(=NNc1cc[nH+]cc1)c1cc2ccccc2s1 ZINC000779807056 628432875 /nfs/dbraw/zinc/43/28/75/628432875.db2.gz MWEXVOLUMJTONN-UHFFFAOYSA-N 1 1 253.330 3.164 20 30 CGEDMO Cc1ccc(C=NNc2cc[nH+]cc2)c(Br)c1 ZINC000779808052 628433388 /nfs/dbraw/zinc/43/33/88/628433388.db2.gz CBVNCCXMZMVNKK-UHFFFAOYSA-N 1 1 290.164 3.020 20 30 CGEDMO CCCc1ccc(C(C)=NNc2cc[nH+]cc2)cc1 ZINC000779809738 628433846 /nfs/dbraw/zinc/43/38/46/628433846.db2.gz PDDSKJAHOYTPTO-UHFFFAOYSA-N 1 1 253.349 3.292 20 30 CGEDMO Cc1cccc2c1[C@@H](C)CC2=NNc1cc[nH+]cc1 ZINC000779810460 628433969 /nfs/dbraw/zinc/43/39/69/628433969.db2.gz BQYIYUBXFTZBJK-LBPRGKRZSA-N 1 1 251.333 3.135 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@H]2CCc3c2c(F)ccc3F)nc1 ZINC000780328718 628482733 /nfs/dbraw/zinc/48/27/33/628482733.db2.gz CYQKIBHOPGSZGE-HNNXBMFYSA-N 1 1 285.297 3.009 20 30 CGEDMO CC[C@@H]1C[C@@H](C[N@@H+](CCC#N)CC(C)C)CCO1 ZINC000780755536 628514297 /nfs/dbraw/zinc/51/42/97/628514297.db2.gz WPLAFOUBBSEHMA-LSDHHAIUSA-N 1 1 252.402 3.063 20 30 CGEDMO C[C@H]1CC(N=Nc2ccnc(F)c2)C[N@H+]1Cc1ccccc1 ZINC000781127334 628538677 /nfs/dbraw/zinc/53/86/77/628538677.db2.gz MAQRKGYHKGDQLA-ZDUSSCGKSA-N 1 1 298.365 3.283 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC1N=Nc1ccnc(F)c1 ZINC000781129189 628539060 /nfs/dbraw/zinc/53/90/60/628539060.db2.gz DBPOOQWTAHHQQJ-CYBMUJFWSA-N 1 1 298.365 3.141 20 30 CGEDMO CCCCCCCC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000781189529 628546066 /nfs/dbraw/zinc/54/60/66/628546066.db2.gz NBDGDKMPCWYGKF-CQSZACIVSA-N 1 1 266.429 3.114 20 30 CGEDMO C[C@@H](C(=O)OCCCC(C)(C)C#N)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000783779324 628747813 /nfs/dbraw/zinc/74/78/13/628747813.db2.gz TUUBAFAZSUCLSA-MJBXVCDLSA-N 1 1 280.412 3.121 20 30 CGEDMO C[C@@H]1CCC(=[NH+]n2cc(Br)cn2)[C@H](C)C1 ZINC000783856434 628751577 /nfs/dbraw/zinc/75/15/77/628751577.db2.gz CHDYIWUXJZEZSE-RKDXNWHRSA-N 1 1 270.174 3.306 20 30 CGEDMO C[C@@H]1CCCC[C@@H]1C=[NH+]n1cc(Br)cn1 ZINC000783856927 628751793 /nfs/dbraw/zinc/75/17/93/628751793.db2.gz OLJDJMWDNCNKRJ-NXEZZACHSA-N 1 1 270.174 3.306 20 30 CGEDMO CCCCCCC[N@@H+](C)C1CCC(NC(C)=O)CC1 ZINC000784549735 628821063 /nfs/dbraw/zinc/82/10/63/628821063.db2.gz QWGPVHRIMAKQQY-UHFFFAOYSA-N 1 1 268.445 3.336 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(F)cc1C ZINC000785998675 628906467 /nfs/dbraw/zinc/90/64/67/628906467.db2.gz KFGQWAZICSGBFD-HOCLYGCPSA-N 1 1 263.356 3.208 20 30 CGEDMO C=C[C@](C)(CC)COC(=O)[C@H]1CCCC[N@H+]1CC ZINC000786530766 628946557 /nfs/dbraw/zinc/94/65/57/628946557.db2.gz SFLDRGUVHFZFJF-UKRRQHHQSA-N 1 1 253.386 3.006 20 30 CGEDMO C=C[C@](C)(CC)COC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000786530766 628946559 /nfs/dbraw/zinc/94/65/59/628946559.db2.gz SFLDRGUVHFZFJF-UKRRQHHQSA-N 1 1 253.386 3.006 20 30 CGEDMO C#CCCC[N@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000787342074 629009849 /nfs/dbraw/zinc/00/98/49/629009849.db2.gz MNGUGKYEDMYYPC-UHFFFAOYSA-N 1 1 285.309 3.429 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1cccc(OCC(F)(F)F)c1 ZINC000787997668 629038722 /nfs/dbraw/zinc/03/87/22/629038722.db2.gz ONEKWOUWONRVOG-UHFFFAOYSA-N 1 1 285.309 3.471 20 30 CGEDMO C=CCN(Cc1ccccc1F)CC1CC[NH+](C)CC1 ZINC000788479281 629057998 /nfs/dbraw/zinc/05/79/98/629057998.db2.gz QMZIPRZOYPJCAB-UHFFFAOYSA-N 1 1 276.399 3.156 20 30 CGEDMO C=CC[C@H]([NH2+]Cc1cn2cc(C)ccc2n1)c1ccncc1 ZINC000790542437 629216605 /nfs/dbraw/zinc/21/66/05/629216605.db2.gz FVVCEDWZZGKIGV-KRWDZBQOSA-N 1 1 292.386 3.445 20 30 CGEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+]2[C@H](C)C[C@@H]2C)cc1C ZINC000791567598 629289162 /nfs/dbraw/zinc/28/91/62/629289162.db2.gz SFZXJRMQGMUCRV-IYBDPMFKSA-N 1 1 299.418 3.033 20 30 CGEDMO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2[C@H](C)C[C@@H]2C)cc1C ZINC000791567598 629289166 /nfs/dbraw/zinc/28/91/66/629289166.db2.gz SFZXJRMQGMUCRV-IYBDPMFKSA-N 1 1 299.418 3.033 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1ccnc(F)c1C ZINC000862301007 629341670 /nfs/dbraw/zinc/34/16/70/629341670.db2.gz BUKJSSSELMDEBD-UHFFFAOYSA-N 1 1 274.339 3.353 20 30 CGEDMO CCCCCCCCC[N@H+]1CCO[C@H](COC)C1 ZINC000792229282 629350827 /nfs/dbraw/zinc/35/08/27/629350827.db2.gz FXDKXVBVCNAFRL-HNNXBMFYSA-N 1 1 257.418 3.084 20 30 CGEDMO C#CCC[NH+]1CCN(CCCCCCCCC)CC1 ZINC000792264956 629352995 /nfs/dbraw/zinc/35/29/95/629352995.db2.gz ZZXYIVARKGVXAC-UHFFFAOYSA-N 1 1 264.457 3.378 20 30 CGEDMO C#CCCOc1ccc(Cn2c[nH+]c3c2CCCC3)cc1 ZINC000862431693 629371586 /nfs/dbraw/zinc/37/15/86/629371586.db2.gz QBPASBBHBLTKGV-UHFFFAOYSA-N 1 1 280.371 3.212 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000862445034 629377717 /nfs/dbraw/zinc/37/77/17/629377717.db2.gz KAMQVGYJVGNWSU-CYBMUJFWSA-N 1 1 283.400 3.050 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000862445214 629378647 /nfs/dbraw/zinc/37/86/47/629378647.db2.gz OHFSVRAIKQEKNQ-LLVKDONJSA-N 1 1 278.739 3.093 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000862445509 629379334 /nfs/dbraw/zinc/37/93/34/629379334.db2.gz VQEPPKKMTBLSCP-ZDUSSCGKSA-N 1 1 268.335 3.219 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(C)c3ncccc3c2)C1 ZINC000862445327 629379461 /nfs/dbraw/zinc/37/94/61/629379461.db2.gz QNKNWYQECSQALW-OAHLLOKOSA-N 1 1 264.372 3.388 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000862445553 629379803 /nfs/dbraw/zinc/37/98/03/629379803.db2.gz WWODIJMNRBXATC-ZDUSSCGKSA-N 1 1 297.320 3.473 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](C[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000862447433 629380084 /nfs/dbraw/zinc/38/00/84/629380084.db2.gz MSFJNAMDGLTANA-CHWSQXEVSA-N 1 1 263.331 3.414 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(OC)ccc2OC(F)F)C1 ZINC000862445468 629380097 /nfs/dbraw/zinc/38/00/97/629380097.db2.gz URSANNNHKFMMKQ-GFCCVEGCSA-N 1 1 295.329 3.142 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cc3cc(Cl)cnc3o2)C1 ZINC000862448019 629381812 /nfs/dbraw/zinc/38/18/12/629381812.db2.gz VDQVUOLRTYKHEF-NSHDSACASA-N 1 1 274.751 3.326 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792908624 629392909 /nfs/dbraw/zinc/39/29/09/629392909.db2.gz SDKGQGNXHITYJU-SDDRHHMPSA-N 1 1 260.208 3.304 20 30 CGEDMO c1sc(N=NC2C[N@@H+]3C[C@@H]2CCC3)nc1-c1ccccc1 ZINC000863075395 629467566 /nfs/dbraw/zinc/46/75/66/629467566.db2.gz MYMMQZCVGIWVDE-ZDUSSCGKSA-N 1 1 298.415 3.304 20 30 CGEDMO c1sc(N=NC2C[N@H+]3C[C@@H]2CCC3)nc1-c1ccccc1 ZINC000863075395 629467567 /nfs/dbraw/zinc/46/75/67/629467567.db2.gz MYMMQZCVGIWVDE-ZDUSSCGKSA-N 1 1 298.415 3.304 20 30 CGEDMO c1cnn(N=C2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000863163604 629486247 /nfs/dbraw/zinc/48/62/47/629486247.db2.gz KJWLCTCTZMJQHH-KRWDZBQOSA-N 1 1 280.375 3.087 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)CN1C[C@@H](C2CC2)CC1=O ZINC000794649576 629564088 /nfs/dbraw/zinc/56/40/88/629564088.db2.gz BJITWPHOSXSQJI-SFHVURJKSA-N 1 1 298.430 3.281 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)CN1C[C@@H](C2CC2)CC1=O ZINC000794649576 629564090 /nfs/dbraw/zinc/56/40/90/629564090.db2.gz BJITWPHOSXSQJI-SFHVURJKSA-N 1 1 298.430 3.281 20 30 CGEDMO C[C@@H]([NH2+]Cc1cccnc1F)c1ccc(C#N)c(F)c1 ZINC000794837672 629586322 /nfs/dbraw/zinc/58/63/22/629586322.db2.gz VCRDLPSKKQCFIT-SNVBAGLBSA-N 1 1 273.286 3.082 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795112738 629633822 /nfs/dbraw/zinc/63/38/22/629633822.db2.gz ZYISYZCAMIWNJL-GJZGRUSLSA-N 1 1 294.439 3.284 20 30 CGEDMO CCCCCCCC[N@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000796339138 629768495 /nfs/dbraw/zinc/76/84/95/629768495.db2.gz AEBCDTNLHXVGJZ-HOTGVXAUSA-N 1 1 269.429 3.227 20 30 CGEDMO C=CCC(C)(C)C(=O)OCC[C@H]1CCCC[N@@H+]1C ZINC000796463674 629785926 /nfs/dbraw/zinc/78/59/26/629785926.db2.gz WYGGZSSWEWIYQU-CYBMUJFWSA-N 1 1 253.386 3.006 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(OC(C)=O)cc1 ZINC000796640855 629808799 /nfs/dbraw/zinc/80/87/99/629808799.db2.gz JRIPKSJNMHVYLO-UHFFFAOYSA-N 1 1 293.366 3.247 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CC(C)=C[C@@H](C)C2)cc1 ZINC000797604847 629970291 /nfs/dbraw/zinc/97/02/91/629970291.db2.gz JGNNZEYYXKZAFP-OAHLLOKOSA-N 1 1 269.388 3.487 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CCCN(C)C(=O)OC(C)(C)C ZINC000797990363 630012498 /nfs/dbraw/zinc/01/24/98/630012498.db2.gz WMOJPACNCSZGCD-CQSZACIVSA-N 1 1 282.428 3.284 20 30 CGEDMO CC(C)=CCC[C@H](C)CC=NNCCC[NH+]1CCOCC1 ZINC000799489882 630189336 /nfs/dbraw/zinc/18/93/36/630189336.db2.gz GNGZAXPJZCNSEU-KRWDZBQOSA-N 1 1 295.471 3.057 20 30 CGEDMO CC(C)=CCC[C@@H](C)CC=NNCCC[NH+]1CCOCC1 ZINC000799489883 630189502 /nfs/dbraw/zinc/18/95/02/630189502.db2.gz GNGZAXPJZCNSEU-QGZVFWFLSA-N 1 1 295.471 3.057 20 30 CGEDMO N#Cc1ccc(C2([NH2+]Cc3cn(C4CC4)cn3)CCC2)cc1 ZINC000865618768 630225157 /nfs/dbraw/zinc/22/51/57/630225157.db2.gz FTCYFENVZOEDSJ-UHFFFAOYSA-N 1 1 292.386 3.259 20 30 CGEDMO CCC[N@@H+](CCO[C@@H](C)C#N)Cc1ccc(C)cc1 ZINC000801909969 630363911 /nfs/dbraw/zinc/36/39/11/630363911.db2.gz JIMZXTDIJCAXGZ-HNNXBMFYSA-N 1 1 260.381 3.136 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000801909143 630364453 /nfs/dbraw/zinc/36/44/53/630364453.db2.gz HFJGOEZTSVKFIT-CHWSQXEVSA-N 1 1 272.348 3.354 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000801923199 630367694 /nfs/dbraw/zinc/36/76/94/630367694.db2.gz BBWJUCHFTPGKJA-IOASZLSFSA-N 1 1 276.355 3.137 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](Cc1ccc(F)cc1)C(C)(C)C ZINC000801929224 630368794 /nfs/dbraw/zinc/36/87/94/630368794.db2.gz QFPKADBVZGAUBY-CYBMUJFWSA-N 1 1 278.371 3.355 20 30 CGEDMO CC(C)CC[C@H]1CCCC[N@H+]1CCO[C@@H](C)C#N ZINC000801935419 630369889 /nfs/dbraw/zinc/36/98/89/630369889.db2.gz ZZTHWGLHGUFRGI-LSDHHAIUSA-N 1 1 252.402 3.206 20 30 CGEDMO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CCO[C@@H](C)C#N ZINC000801935756 630370056 /nfs/dbraw/zinc/37/00/56/630370056.db2.gz DFWMVMQQJXQZHZ-WCQYABFASA-N 1 1 295.452 3.496 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000801933925 630370163 /nfs/dbraw/zinc/37/01/63/630370163.db2.gz DVEOSFMISJDWOG-UKRRQHHQSA-N 1 1 299.374 3.283 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000801933925 630370167 /nfs/dbraw/zinc/37/01/67/630370167.db2.gz DVEOSFMISJDWOG-UKRRQHHQSA-N 1 1 299.374 3.283 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000802008736 630374086 /nfs/dbraw/zinc/37/40/86/630374086.db2.gz OGQJYJFYPAVOGT-KRWDZBQOSA-N 1 1 294.439 3.286 20 30 CGEDMO C#CC[N@H+](C[C@H](O)C(C)(C)C)[C@H]1CCc2ccccc21 ZINC000808711839 630668967 /nfs/dbraw/zinc/66/89/67/630668967.db2.gz UABUXRAMUUJNGZ-IRXDYDNUSA-N 1 1 271.404 3.016 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCc3ccsc3C2)cc1 ZINC000809579036 630754201 /nfs/dbraw/zinc/75/42/01/630754201.db2.gz UXIYIJCTIUYJPM-UHFFFAOYSA-N 1 1 253.370 3.288 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)Cc2cnccc2C)cc1 ZINC000809657905 630776719 /nfs/dbraw/zinc/77/67/19/630776719.db2.gz WPXAMYSKPISISF-UHFFFAOYSA-N 1 1 250.345 3.003 20 30 CGEDMO C#C[C@@H](C)[NH2+]Cc1c(C)nn(Cc2ccccc2)c1Cl ZINC000809682894 630779195 /nfs/dbraw/zinc/77/91/95/630779195.db2.gz HXDQVMMQHCPQGX-GFCCVEGCSA-N 1 1 287.794 3.005 20 30 CGEDMO C#C[C@H]([NH2+][C@@H](CC)COC)c1ccc(Cl)cc1F ZINC000809699700 630786022 /nfs/dbraw/zinc/78/60/22/630786022.db2.gz SDAHNALHXNXDHV-FZMZJTMJSA-N 1 1 269.747 3.168 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000809729722 630793632 /nfs/dbraw/zinc/79/36/32/630793632.db2.gz XNMNZIMEZLFSSG-GOSISDBHSA-N 1 1 292.382 3.431 20 30 CGEDMO C#C[C@H](NC1CC[NH+](C2CCCCC2)CC1)C(C)(C)C ZINC000809781229 630805331 /nfs/dbraw/zinc/80/53/31/630805331.db2.gz KCPBAUAGFSRRQT-KRWDZBQOSA-N 1 1 276.468 3.421 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000810046919 630833830 /nfs/dbraw/zinc/83/38/30/630833830.db2.gz CMUXNGJOOQZNFU-OAHLLOKOSA-N 1 1 263.768 3.209 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000810046919 630833834 /nfs/dbraw/zinc/83/38/34/630833834.db2.gz CMUXNGJOOQZNFU-OAHLLOKOSA-N 1 1 263.768 3.209 20 30 CGEDMO C=CCC[C@@H](OC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC000810638862 630914374 /nfs/dbraw/zinc/91/43/74/630914374.db2.gz PGEYACNDAFLPCM-PBHICJAKSA-N 1 1 297.414 3.487 20 30 CGEDMO C[C@@H]1C(=NNC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000811641280 631095368 /nfs/dbraw/zinc/09/53/68/631095368.db2.gz VJSRMXOLDJYYID-CQSZACIVSA-N 1 1 271.408 3.169 20 30 CGEDMO C[C@@H]1C(=NNC2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000811641280 631095372 /nfs/dbraw/zinc/09/53/72/631095372.db2.gz VJSRMXOLDJYYID-CQSZACIVSA-N 1 1 271.408 3.169 20 30 CGEDMO C#CCCCCC[N@@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000878710290 635612226 /nfs/dbraw/zinc/61/22/26/635612226.db2.gz BEPBURXMYDTUDK-LJQANCHMSA-N 1 1 297.398 3.290 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CC1=NOC1CCC1 ZINC000812237829 631228566 /nfs/dbraw/zinc/22/85/66/631228566.db2.gz FLHAPKCLPZMECU-AWEZNQCLSA-N 1 1 272.392 3.454 20 30 CGEDMO C=CCOCC[N@H+](C)Cc1ccc(N(CC)CC)cc1 ZINC000815011130 631703539 /nfs/dbraw/zinc/70/35/39/631703539.db2.gz ATBQVZZHWGORJQ-UHFFFAOYSA-N 1 1 276.424 3.167 20 30 CGEDMO C=CCOCC[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000815069465 631710583 /nfs/dbraw/zinc/71/05/83/631710583.db2.gz BHDTYFZNVOAQFK-UHFFFAOYSA-N 1 1 287.359 3.190 20 30 CGEDMO C#CC[N@H+](CC)C/C(C)=C/c1ccccc1COC ZINC000816496277 631994662 /nfs/dbraw/zinc/99/46/62/631994662.db2.gz CVHCSCYUJVBYBS-NTCAYCPXSA-N 1 1 257.377 3.191 20 30 CGEDMO C#CCOc1ccc([C@@H](C)NC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000817955584 632250589 /nfs/dbraw/zinc/25/05/89/632250589.db2.gz ZLXBYIISTFNQTH-DNVCBOLYSA-N 1 1 294.398 3.049 20 30 CGEDMO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H](CN)C2CC2)cc1 ZINC000817959490 632255347 /nfs/dbraw/zinc/25/53/47/632255347.db2.gz GQLYQNXMVQNJEY-LRDDRELGSA-N 1 1 294.826 3.206 20 30 CGEDMO C#CCOc1ccc([C@@H](C)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000817986886 632276277 /nfs/dbraw/zinc/27/62/77/632276277.db2.gz VHUDJDNLSWYATF-NVXWUHKLSA-N 1 1 298.430 3.024 20 30 CGEDMO C=CC1(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCCC1 ZINC000821777360 632817279 /nfs/dbraw/zinc/81/72/79/632817279.db2.gz ZGZAFMXTOZXEEF-MQVJKMGUSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C(Br)C[NH2+]Cc1ccccc1OCC ZINC000105453869 635832472 /nfs/dbraw/zinc/83/24/72/635832472.db2.gz SWCWFXVEPKJXJW-UHFFFAOYSA-N 1 1 270.170 3.084 20 30 CGEDMO C=C(C)CC[N@@H+]1CCOC[C@H]1c1ccc(OC)cc1 ZINC000879739450 635848763 /nfs/dbraw/zinc/84/87/63/635848763.db2.gz RXSPHIVIEBUKJX-INIZCTEOSA-N 1 1 261.365 3.035 20 30 CGEDMO N#Cc1ccc(CNC[C@H]2CC[N@H+]2C2CCCCCC2)o1 ZINC000865805108 632895091 /nfs/dbraw/zinc/89/50/91/632895091.db2.gz QVRLEJHSISBLPD-OAHLLOKOSA-N 1 1 287.407 3.038 20 30 CGEDMO N#Cc1ccc(C[NH2+]C[C@H]2CCN2C2CCCCCC2)o1 ZINC000865805108 632895097 /nfs/dbraw/zinc/89/50/97/632895097.db2.gz QVRLEJHSISBLPD-OAHLLOKOSA-N 1 1 287.407 3.038 20 30 CGEDMO CC(C)n1cc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2O)cn1 ZINC000866265500 633052412 /nfs/dbraw/zinc/05/24/12/633052412.db2.gz MKCJQKSZXXZSOO-OLZOCXBDSA-N 1 1 298.390 3.453 20 30 CGEDMO C[C@H]([NH2+][C@H]1COCc2ccccc21)c1cccc(C#N)c1O ZINC000866377482 633111472 /nfs/dbraw/zinc/11/14/72/633111472.db2.gz VEOLTYMVSPCICF-SJCJKPOMSA-N 1 1 294.354 3.186 20 30 CGEDMO C[N@@H+](Cc1ccc(F)cc1C#N)C[C@@](C)(O)c1ccccc1 ZINC000823590405 633124873 /nfs/dbraw/zinc/12/48/73/633124873.db2.gz CXWDTASRALPRMP-GOSISDBHSA-N 1 1 298.361 3.037 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cnc(Cl)cn1 ZINC000823619031 633128154 /nfs/dbraw/zinc/12/81/54/633128154.db2.gz WTDGEJZMQOEDCA-LLVKDONJSA-N 1 1 286.766 3.195 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cnc(Cl)cn1 ZINC000823619031 633128156 /nfs/dbraw/zinc/12/81/56/633128156.db2.gz WTDGEJZMQOEDCA-LLVKDONJSA-N 1 1 286.766 3.195 20 30 CGEDMO C#CC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C1CCCCC1 ZINC000824632397 633266635 /nfs/dbraw/zinc/26/66/35/633266635.db2.gz HMKRSVZOYCDQNW-UHFFFAOYSA-N 1 1 294.402 3.035 20 30 CGEDMO C#CC[N@@H+](Cc1ccnn1-c1ccncc1)C1CCCCC1 ZINC000824632397 633266643 /nfs/dbraw/zinc/26/66/43/633266643.db2.gz HMKRSVZOYCDQNW-UHFFFAOYSA-N 1 1 294.402 3.035 20 30 CGEDMO Cc1cc(O)c(C[N@@H+](C)[C@@H](C)CC#N)cc1Cl ZINC000824714636 633277653 /nfs/dbraw/zinc/27/76/53/633277653.db2.gz SUESHKGFIWRLOF-JTQLQIEISA-N 1 1 252.745 3.088 20 30 CGEDMO C#CCCCCCC[N@@H+](C)Cc1nccn1C(F)F ZINC000876584461 634862697 /nfs/dbraw/zinc/86/26/97/634862697.db2.gz HVHWBIHSUQJWFX-UHFFFAOYSA-N 1 1 269.339 3.294 20 30 CGEDMO C#CCCCCCC[N@H+](C)Cc1nccn1C(F)F ZINC000876584461 634862701 /nfs/dbraw/zinc/86/27/01/634862701.db2.gz HVHWBIHSUQJWFX-UHFFFAOYSA-N 1 1 269.339 3.294 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC[NH2+][C@H](c2ccccc2C)C1 ZINC000825168727 633333787 /nfs/dbraw/zinc/33/37/87/633333787.db2.gz BUHMRZBAYGMBQT-WMZOPIPTSA-N 1 1 286.419 3.070 20 30 CGEDMO CCOCOc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000826862032 633438364 /nfs/dbraw/zinc/43/83/64/633438364.db2.gz RNHWMCCXPSACLA-HNNXBMFYSA-N 1 1 288.391 3.185 20 30 CGEDMO C=CC[NH+](CC=C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000122632407 633458550 /nfs/dbraw/zinc/45/85/50/633458550.db2.gz YHPUTWBCJHZPET-UHFFFAOYSA-N 1 1 266.728 3.422 20 30 CGEDMO CCC(C#N)(CC)C(=O)O[C@@H](C)C[C@H]1CCCC[N@H+]1C ZINC000870787210 633645998 /nfs/dbraw/zinc/64/59/98/633645998.db2.gz UZAPPZFQZWJIRG-UONOGXRCSA-N 1 1 280.412 3.122 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000829779669 633782296 /nfs/dbraw/zinc/78/22/96/633782296.db2.gz ZBUYUERITCYXLS-QGZVFWFLSA-N 1 1 282.387 3.062 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000829784453 633783663 /nfs/dbraw/zinc/78/36/63/633783663.db2.gz KIIDLSRUQWGTNB-ZIAGYGMSSA-N 1 1 272.348 3.391 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+]([C@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000829804456 633789841 /nfs/dbraw/zinc/78/98/41/633789841.db2.gz HKEMSERBVGIOOU-ZIAGYGMSSA-N 1 1 289.375 3.171 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](C[C@H](OC)c2ccccc2)C1 ZINC000829815474 633796621 /nfs/dbraw/zinc/79/66/21/633796621.db2.gz MMDRMLXUZKXCHV-RDJZCZTQSA-N 1 1 257.377 3.109 20 30 CGEDMO CC(=O)[C@](C#N)(CCn1cc[nH+]c1C1CC1)c1ccccc1 ZINC000871679437 633821370 /nfs/dbraw/zinc/82/13/70/633821370.db2.gz LKWDAADCANWCGJ-GOSISDBHSA-N 1 1 293.370 3.201 20 30 CGEDMO C#CC1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000830345438 633853479 /nfs/dbraw/zinc/85/34/79/633853479.db2.gz CXSNHOSLWKWXGV-UHFFFAOYSA-N 1 1 258.752 3.057 20 30 CGEDMO COc1ccc(NCc2c(C)cc(C)[nH+]c2C)cc1C#N ZINC000871866069 633902574 /nfs/dbraw/zinc/90/25/74/633902574.db2.gz HIXMELDADYDBMK-UHFFFAOYSA-N 1 1 281.359 3.499 20 30 CGEDMO C=C(Br)C[N@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000831000880 633908728 /nfs/dbraw/zinc/90/87/28/633908728.db2.gz JHWBJOCBANGMFZ-VOAKCMCISA-N 1 1 268.198 3.039 20 30 CGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2sccc2C)no1 ZINC000872181811 634080581 /nfs/dbraw/zinc/08/05/81/634080581.db2.gz BVALSLHVKFHKCQ-MRVPVSSYSA-N 1 1 269.757 3.249 20 30 CGEDMO N#CCC[NH2+][C@@H]1CCCO[C@H]1c1ccc(Cl)cc1 ZINC000872237935 634087153 /nfs/dbraw/zinc/08/71/53/634087153.db2.gz RLRROKWNPQUIII-KGLIPLIRSA-N 1 1 264.756 3.063 20 30 CGEDMO CC(=[NH+]NC1CCC(C)(C)CC1)c1csc(N)n1 ZINC000872394747 634130730 /nfs/dbraw/zinc/13/07/30/634130730.db2.gz KXTDXRXYSBYKDF-UHFFFAOYSA-N 1 1 266.414 3.008 20 30 CGEDMO C=CCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)CCCC1 ZINC000834901294 634277528 /nfs/dbraw/zinc/27/75/28/634277528.db2.gz ZEXJOYDTZVCSQZ-MQVJKMGUSA-N 1 1 262.441 3.338 20 30 CGEDMO C=CCON=C(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000835012980 634316751 /nfs/dbraw/zinc/31/67/51/634316751.db2.gz COVGBIQFFZZBDN-INIZCTEOSA-N 1 1 258.365 3.087 20 30 CGEDMO CC(C)[N@@H+](CCC#N)Cc1cccc2ncccc12 ZINC000876611216 634867367 /nfs/dbraw/zinc/86/73/67/634867367.db2.gz VQRHILIILZTZNT-UHFFFAOYSA-N 1 1 253.349 3.359 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000876807718 634903089 /nfs/dbraw/zinc/90/30/89/634903089.db2.gz IXXDJTOGXUKKGD-KFWWJZLASA-N 1 1 276.380 3.107 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@@H]1c1cn(C)nc1C ZINC000876806787 634903636 /nfs/dbraw/zinc/90/36/36/634903636.db2.gz TUURRAFIMJUYOF-QGZVFWFLSA-N 1 1 273.424 3.449 20 30 CGEDMO C#CCCCCCC[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000877516082 635067243 /nfs/dbraw/zinc/06/72/43/635067243.db2.gz BNYALJWHNZDJRM-UONOGXRCSA-N 1 1 291.357 3.063 20 30 CGEDMO C#CCCCCCC[N@H+](C)C1CCC(CO)CC1 ZINC000877531184 635075375 /nfs/dbraw/zinc/07/53/75/635075375.db2.gz JGEMZEXSYWTCKJ-UHFFFAOYSA-N 1 1 251.414 3.053 20 30 CGEDMO C#CCCCCCC[N@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000877560375 635090280 /nfs/dbraw/zinc/09/02/80/635090280.db2.gz PFZHTDFAVZLQCH-UHFFFAOYSA-N 1 1 298.430 3.334 20 30 CGEDMO CN(C)c1ccc(C#N)cc1C[NH+]1CC(CC(F)(F)F)C1 ZINC000877580149 635100412 /nfs/dbraw/zinc/10/04/12/635100412.db2.gz FTSQYCHLAIRUQI-UHFFFAOYSA-N 1 1 297.324 3.008 20 30 CGEDMO CC(C)(C)C1C[NH+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877582070 635101269 /nfs/dbraw/zinc/10/12/69/635101269.db2.gz HCZFSGPHVZJNHZ-UHFFFAOYSA-N 1 1 263.772 3.085 20 30 CGEDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000877623205 635117704 /nfs/dbraw/zinc/11/77/04/635117704.db2.gz ZCPCPQRKVDBFDA-CQSZACIVSA-N 1 1 287.363 3.337 20 30 CGEDMO CC(C)(O)[C@@H]1CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000877795513 635204670 /nfs/dbraw/zinc/20/46/70/635204670.db2.gz MUYBMRDEPFMRQL-QGZVFWFLSA-N 1 1 298.430 3.225 20 30 CGEDMO N#CC1(CO[NH+]=C(N)C23CC4CC(CC(C4)C2)C3)CCC1 ZINC000842019480 635256620 /nfs/dbraw/zinc/25/66/20/635256620.db2.gz PGNRHWDNNGBECZ-UHFFFAOYSA-N 1 1 287.407 3.395 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000877898922 635256826 /nfs/dbraw/zinc/25/68/26/635256826.db2.gz VNJDJFAIFVSALM-MRXNPFEDSA-N 1 1 283.419 3.031 20 30 CGEDMO Cc1ccc(F)cc1C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000842156870 635298966 /nfs/dbraw/zinc/29/89/66/635298966.db2.gz AEFQSMQJBLGJOP-GOSISDBHSA-N 1 1 298.361 3.171 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000878053843 635339857 /nfs/dbraw/zinc/33/98/57/635339857.db2.gz RGNPDEFZCZTPAE-KGLIPLIRSA-N 1 1 282.428 3.140 20 30 CGEDMO C=C1CC[NH+](CC[C@](C#N)(C(C)=O)c2ccccc2)CC1 ZINC000878086731 635349089 /nfs/dbraw/zinc/34/90/89/635349089.db2.gz ANNKRWLMWGIDPC-SFHVURJKSA-N 1 1 282.387 3.079 20 30 CGEDMO C[N@@H+](CC1(CC#N)CC1)[C@H]1CCc2ccccc2C1 ZINC000878107256 635359310 /nfs/dbraw/zinc/35/93/10/635359310.db2.gz WIQSEFYUENJPHC-INIZCTEOSA-N 1 1 254.377 3.170 20 30 CGEDMO C#CCCCCC[N@H+](C)[C@@H](CCO)c1ccccc1 ZINC000878138912 635374905 /nfs/dbraw/zinc/37/49/05/635374905.db2.gz JFHNRPXCHLCYFR-KRWDZBQOSA-N 1 1 259.393 3.236 20 30 CGEDMO C=CC[C@H](C)[N@@H+](C)Cc1nc([C@H](C)OCC(C)C)no1 ZINC000878154120 635383127 /nfs/dbraw/zinc/38/31/27/635383127.db2.gz PYASWGQHBZREKJ-STQMWFEESA-N 1 1 281.400 3.200 20 30 CGEDMO C=CC[C@H](C)[N@H+](C)Cc1nc([C@H](C)OCC(C)C)no1 ZINC000878154120 635383131 /nfs/dbraw/zinc/38/31/31/635383131.db2.gz PYASWGQHBZREKJ-STQMWFEESA-N 1 1 281.400 3.200 20 30 CGEDMO CSc1ccc2c(c1)C(=NNc1cc[nH+]cc1)CCC2 ZINC000842530352 635392781 /nfs/dbraw/zinc/39/27/81/635392781.db2.gz SIYIIMVIGXDGOA-UHFFFAOYSA-N 1 1 283.400 3.378 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cn2cnc3cc(F)c(F)cc32)C1 ZINC000842630051 635421675 /nfs/dbraw/zinc/42/16/75/635421675.db2.gz WGYTWPBMQNTKGC-LBPRGKRZSA-N 1 1 289.329 3.007 20 30 CGEDMO C=CC(C)(C)CC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000878244113 635429355 /nfs/dbraw/zinc/42/93/55/635429355.db2.gz LSPOWSKVIRGPAF-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1c(C)cccc1Cl ZINC000878489868 635528892 /nfs/dbraw/zinc/52/88/92/635528892.db2.gz ADCSTSJSNAVSPL-LBPRGKRZSA-N 1 1 280.799 3.483 20 30 CGEDMO CC[N@@H+](CC1(CC#N)CC1)[C@H](C)[C@H](O)c1ccccc1 ZINC000878635903 635583277 /nfs/dbraw/zinc/58/32/77/635583277.db2.gz SXRUTPRKJYIOPF-ZBFHGGJFSA-N 1 1 272.392 3.124 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@@H+]1C[C@H](C)[C@H](C)[C@@H]1C)c1ccccc1 ZINC000878719015 635615054 /nfs/dbraw/zinc/61/50/54/635615054.db2.gz ZRMSROGYUMQPDK-IUVQAAGXSA-N 1 1 298.430 3.403 20 30 CGEDMO C#CC1CC[NH+](Cc2noc3c2CC(C)(C)CC3)CC1 ZINC000878763700 635625719 /nfs/dbraw/zinc/62/57/19/635625719.db2.gz LXAXELCNQWSWKD-UHFFFAOYSA-N 1 1 272.392 3.035 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000878886475 635649770 /nfs/dbraw/zinc/64/97/70/635649770.db2.gz KGRHFRUPVUDVRY-QWHCGFSZSA-N 1 1 256.340 3.438 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(C)c(Cl)n1)[C@@H](C)COC ZINC000878889870 635651262 /nfs/dbraw/zinc/65/12/62/635651262.db2.gz LHUINYQYIVROAC-LBPRGKRZSA-N 1 1 268.788 3.066 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)cc1 ZINC000843415599 635661620 /nfs/dbraw/zinc/66/16/20/635661620.db2.gz DCOQVEWFFZYVRS-HKUYNNGSSA-N 1 1 299.414 3.090 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000843421860 635665225 /nfs/dbraw/zinc/66/52/25/635665225.db2.gz ADLYKMWCDBOAJG-ZDUSSCGKSA-N 1 1 285.416 3.374 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](CCCc2ccc(C)nc2)C1 ZINC000843423402 635667033 /nfs/dbraw/zinc/66/70/33/635667033.db2.gz NPEZPVWAYDQOHW-QGZVFWFLSA-N 1 1 256.393 3.058 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2C)C1 ZINC000843423707 635667970 /nfs/dbraw/zinc/66/79/70/635667970.db2.gz IQPFYUITDKSRCM-OAHLLOKOSA-N 1 1 287.403 3.248 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000843431894 635674705 /nfs/dbraw/zinc/67/47/05/635674705.db2.gz MTQUBLCFMNDTSS-MRXNPFEDSA-N 1 1 299.414 3.090 20 30 CGEDMO CCN(C)c1ccc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)cc1 ZINC000879309415 635752788 /nfs/dbraw/zinc/75/27/88/635752788.db2.gz NAMIUXVULQQKDO-WBVHZDCISA-N 1 1 271.408 3.267 20 30 CGEDMO C=CC[N@H+](C[C@@H]1CCC[C@H](C(F)(F)F)O1)C1CC1 ZINC000930175614 635782717 /nfs/dbraw/zinc/78/27/17/635782717.db2.gz NGJIZPQXLWRLBT-NWDGAFQWSA-N 1 1 263.303 3.137 20 30 CGEDMO N#CCc1ccc(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)cc1 ZINC000879530157 635805030 /nfs/dbraw/zinc/80/50/30/635805030.db2.gz MPQKFPCSCISYOJ-CALCHBBNSA-N 1 1 252.361 3.151 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCO[C@H](c2ccccc2OC)C1 ZINC000879629292 635822862 /nfs/dbraw/zinc/82/28/62/635822862.db2.gz KYWHIKXFGNOFGR-CJNGLKHVSA-N 1 1 261.365 3.033 20 30 CGEDMO C=CC[C@@H](C)[N@@H+]1CCO[C@H](c2ccccc2OC)C1 ZINC000879629292 635822865 /nfs/dbraw/zinc/82/28/65/635822865.db2.gz KYWHIKXFGNOFGR-CJNGLKHVSA-N 1 1 261.365 3.033 20 30 CGEDMO Cc1nnsc1[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000930212793 635884739 /nfs/dbraw/zinc/88/47/39/635884739.db2.gz IDJQBGFYGBBMQD-VHSXEESVSA-N 1 1 272.377 3.130 20 30 CGEDMO C=CC[C@H](C)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879952166 635886546 /nfs/dbraw/zinc/88/65/46/635886546.db2.gz UESRVJWNJKVLRG-HNNXBMFYSA-N 1 1 250.430 3.291 20 30 CGEDMO C[C@H](c1ccccc1)N1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000880250451 635956644 /nfs/dbraw/zinc/95/66/44/635956644.db2.gz KHEYDFXOKYAYFS-MRXNPFEDSA-N 1 1 285.435 3.305 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](CF)C1 ZINC000880298530 635968127 /nfs/dbraw/zinc/96/81/27/635968127.db2.gz DDXCKNBQDXYVKW-SNVBAGLBSA-N 1 1 252.720 3.003 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H](CF)C1 ZINC000880298530 635968130 /nfs/dbraw/zinc/96/81/30/635968130.db2.gz DDXCKNBQDXYVKW-SNVBAGLBSA-N 1 1 252.720 3.003 20 30 CGEDMO N#Cc1c(F)cccc1C[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000880321116 635974590 /nfs/dbraw/zinc/97/45/90/635974590.db2.gz NBRXYGRLKZCNFS-GFCCVEGCSA-N 1 1 287.363 3.143 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000880321116 635974593 /nfs/dbraw/zinc/97/45/93/635974593.db2.gz NBRXYGRLKZCNFS-GFCCVEGCSA-N 1 1 287.363 3.143 20 30 CGEDMO CC[N@H+](Cc1ccc(F)cc1C#N)[C@@H](CO)c1ccccc1 ZINC000880461224 636004545 /nfs/dbraw/zinc/00/45/45/636004545.db2.gz GXGVRIPXZAQBFV-SFHVURJKSA-N 1 1 298.361 3.253 20 30 CGEDMO CC[N@@H+](Cc1ccc(F)cc1C#N)[C@@H](CO)c1ccccc1 ZINC000880461224 636004549 /nfs/dbraw/zinc/00/45/49/636004549.db2.gz GXGVRIPXZAQBFV-SFHVURJKSA-N 1 1 298.361 3.253 20 30 CGEDMO CC[N@H+](Cc1cc(C#N)ccc1F)[C@@H](CO)c1ccccc1 ZINC000880460055 636005157 /nfs/dbraw/zinc/00/51/57/636005157.db2.gz OOHAVNFVMATNHE-SFHVURJKSA-N 1 1 298.361 3.253 20 30 CGEDMO CC[N@@H+](Cc1cc(C#N)ccc1F)[C@@H](CO)c1ccccc1 ZINC000880460055 636005158 /nfs/dbraw/zinc/00/51/58/636005158.db2.gz OOHAVNFVMATNHE-SFHVURJKSA-N 1 1 298.361 3.253 20 30 CGEDMO C#CCC1(O)CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000880478036 636008024 /nfs/dbraw/zinc/00/80/24/636008024.db2.gz QUNYMXMLGDTVBY-UHFFFAOYSA-N 1 1 298.213 3.344 20 30 CGEDMO C=C(C)Cn1cc(C[NH2+][C@H]2CCCc3ccccc32)nn1 ZINC000881009043 636070925 /nfs/dbraw/zinc/07/09/25/636070925.db2.gz BYOASOKNQASJCQ-KRWDZBQOSA-N 1 1 282.391 3.021 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)OC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000845732539 636089801 /nfs/dbraw/zinc/08/98/01/636089801.db2.gz QWQUINMMDZRHQJ-OLZOCXBDSA-N 1 1 253.386 3.005 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)s1 ZINC000846107015 636144259 /nfs/dbraw/zinc/14/42/59/636144259.db2.gz DTBOUAXTEAPBBY-GFCCVEGCSA-N 1 1 268.332 3.241 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000846110135 636145047 /nfs/dbraw/zinc/14/50/47/636145047.db2.gz ZJVVFEARBJXINS-INIZCTEOSA-N 1 1 291.341 3.320 20 30 CGEDMO C=CCC[N@@H+]1CC2CCC1(CNC(=O)OC(C)(C)C)CC2 ZINC000846899539 636275008 /nfs/dbraw/zinc/27/50/08/636275008.db2.gz KWKJSLQHBPPHCZ-UHFFFAOYSA-N 1 1 294.439 3.332 20 30 CGEDMO C=CCCn1cc(C[N@H+]2C[C@H](C)C[C@@H]2c2ccccc2)nn1 ZINC000846904358 636277627 /nfs/dbraw/zinc/27/76/27/636277627.db2.gz UDJHXYPMTXGEKF-CRAIPNDOSA-N 1 1 296.418 3.437 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000847020301 636312202 /nfs/dbraw/zinc/31/22/02/636312202.db2.gz ARHCKLKOBCPQGN-ZIAGYGMSSA-N 1 1 272.348 3.309 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@@H](C)c2nc3ccccc3o2)C1 ZINC000847022605 636313415 /nfs/dbraw/zinc/31/34/15/636313415.db2.gz VUALVZYDHMUPEU-QWHCGFSZSA-N 1 1 254.333 3.234 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@@H](CCOC)c2ccccc2)C1 ZINC000847022041 636313773 /nfs/dbraw/zinc/31/37/73/636313773.db2.gz RLSHSYUVEGPFHI-WBVHZDCISA-N 1 1 257.377 3.109 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2sccc2Br)C1 ZINC000847022768 636313963 /nfs/dbraw/zinc/31/39/63/636313963.db2.gz XJQTXIIWRAMECC-SNVBAGLBSA-N 1 1 284.222 3.356 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2sccc2Br)C1 ZINC000847022768 636313966 /nfs/dbraw/zinc/31/39/66/636313966.db2.gz XJQTXIIWRAMECC-SNVBAGLBSA-N 1 1 284.222 3.356 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000847023482 636315712 /nfs/dbraw/zinc/31/57/12/636315712.db2.gz MYDRVQGPAPKNES-CYBMUJFWSA-N 1 1 284.334 3.326 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000847023482 636315719 /nfs/dbraw/zinc/31/57/19/636315719.db2.gz MYDRVQGPAPKNES-CYBMUJFWSA-N 1 1 284.334 3.326 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000847023948 636315951 /nfs/dbraw/zinc/31/59/51/636315951.db2.gz GYRPJVYPIRTTJZ-OAHLLOKOSA-N 1 1 266.388 3.333 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000847027487 636317241 /nfs/dbraw/zinc/31/72/41/636317241.db2.gz TVVKDJHMHGDIQI-ZDUSSCGKSA-N 1 1 297.320 3.473 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(C)C)C1 ZINC000847026489 636317669 /nfs/dbraw/zinc/31/76/69/636317669.db2.gz FHYSZRGPHAKJSW-OAHLLOKOSA-N 1 1 284.403 3.094 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(C)C)C1 ZINC000847026489 636317675 /nfs/dbraw/zinc/31/76/75/636317675.db2.gz FHYSZRGPHAKJSW-OAHLLOKOSA-N 1 1 284.403 3.094 20 30 CGEDMO C#C[C@H]1CCC[N@H+](CCCC(=O)Nc2c(C)cccc2C)C1 ZINC000847028845 636318756 /nfs/dbraw/zinc/31/87/56/636318756.db2.gz KXGVVEMGTYOWCL-KRWDZBQOSA-N 1 1 298.430 3.367 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](CC(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000847029247 636318781 /nfs/dbraw/zinc/31/87/81/636318781.db2.gz MELFHWJWWVMAMY-INIZCTEOSA-N 1 1 298.430 3.402 20 30 CGEDMO C#C[C@H]1CCC[N@H+](CC(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000847029247 636318786 /nfs/dbraw/zinc/31/87/86/636318786.db2.gz MELFHWJWWVMAMY-INIZCTEOSA-N 1 1 298.430 3.402 20 30 CGEDMO COc1cc(F)cc(N=NC2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000848407606 636568744 /nfs/dbraw/zinc/56/87/44/636568744.db2.gz RXVPEDNZJTTWBQ-INIZCTEOSA-N 1 1 291.370 3.251 20 30 CGEDMO CC(C)(C)CCNN=C1CCC[N@H+]2CCCC[C@@H]12 ZINC000848408528 636569508 /nfs/dbraw/zinc/56/95/08/636569508.db2.gz QTKFQZIPDFKGDH-AWEZNQCLSA-N 1 1 251.418 3.017 20 30 CGEDMO C=CCC[C@H](Nc1cc(CCOC)cc[nH+]1)[C@H]1CCCO1 ZINC000883221992 636595103 /nfs/dbraw/zinc/59/51/03/636595103.db2.gz LGDBGONXHBIGJA-JKSUJKDBSA-N 1 1 290.407 3.196 20 30 CGEDMO C=CCC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000883223501 636595734 /nfs/dbraw/zinc/59/57/34/636595734.db2.gz QHJMWJCRJPKHCQ-IRXDYDNUSA-N 1 1 295.430 3.434 20 30 CGEDMO C[NH+](C)[C@H]1CCC[C@H](NCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000848541307 636597863 /nfs/dbraw/zinc/59/78/63/636597863.db2.gz WMMQABXARYTXOR-ROUUACIJSA-N 1 1 299.462 3.450 20 30 CGEDMO N#CCCCC[C@@H]([NH3+])c1nc([C@@H]2CCc3ccccc32)no1 ZINC000848622134 636621115 /nfs/dbraw/zinc/62/11/15/636621115.db2.gz SENQVIRMOSDFBN-HUUCEWRRSA-N 1 1 296.374 3.231 20 30 CGEDMO Cc1cc(C)cc(Cc2noc([C@@H]([NH3+])CCCCC#N)n2)c1 ZINC000848622553 636622227 /nfs/dbraw/zinc/62/22/27/636622227.db2.gz YPTLIJKEEDFNDL-HNNXBMFYSA-N 1 1 298.390 3.361 20 30 CGEDMO C=CCC(C)(C)c1noc([C@H]([NH3+])CCCCC#N)n1 ZINC000848630860 636624587 /nfs/dbraw/zinc/62/45/87/636624587.db2.gz TTZJFCWKEDWGLJ-LLVKDONJSA-N 1 1 262.357 3.007 20 30 CGEDMO C=CCCCOC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000848775149 636656413 /nfs/dbraw/zinc/65/64/13/636656413.db2.gz WSNIIIRUXYPIEO-INIZCTEOSA-N 1 1 273.376 3.018 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cnc(Cl)n1C ZINC000848886843 636674636 /nfs/dbraw/zinc/67/46/36/636674636.db2.gz IYHDSFKRBJKUBA-UHFFFAOYSA-N 1 1 255.793 3.252 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2CCC)C1 ZINC000848923082 636694046 /nfs/dbraw/zinc/69/40/46/636694046.db2.gz DYCHZCSHZILMAI-OAHLLOKOSA-N 1 1 281.403 3.292 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2CCC)C1 ZINC000848923082 636694048 /nfs/dbraw/zinc/69/40/48/636694048.db2.gz DYCHZCSHZILMAI-OAHLLOKOSA-N 1 1 281.403 3.292 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000848923183 636694551 /nfs/dbraw/zinc/69/45/51/636694551.db2.gz ANUHYCKONDMQCU-HNNXBMFYSA-N 1 1 293.370 3.114 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cc(Cl)c(O)c(OCC)c2)C1 ZINC000848923920 636695694 /nfs/dbraw/zinc/69/56/94/636695694.db2.gz LISLIVJUCPBIDE-LBPRGKRZSA-N 1 1 293.794 3.290 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(Cl)c(O)c(OCC)c2)C1 ZINC000848923920 636695698 /nfs/dbraw/zinc/69/56/98/636695698.db2.gz LISLIVJUCPBIDE-LBPRGKRZSA-N 1 1 293.794 3.290 20 30 CGEDMO CCCNN=C1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000884417446 637023285 /nfs/dbraw/zinc/02/32/85/637023285.db2.gz ICPJCGMBKVDCNN-RDJZCZTQSA-N 1 1 271.408 3.027 20 30 CGEDMO CC[N@H+](Cc1ccc(C)cc1)C[C@@H](O)CC1(C#N)CCC1 ZINC000885969467 637337846 /nfs/dbraw/zinc/33/78/46/637337846.db2.gz SXECITXTPGQOCX-KRWDZBQOSA-N 1 1 286.419 3.262 20 30 CGEDMO CC[C@H](C)[C@@H](C)[N@@H+](C[C@H](O)CC1(C#N)CCC1)C1CC1 ZINC000885989285 637343759 /nfs/dbraw/zinc/34/37/59/637343759.db2.gz ZYDBARRLUDDJEL-SQWLQELKSA-N 1 1 278.440 3.330 20 30 CGEDMO C[C@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886001859 637352354 /nfs/dbraw/zinc/35/23/54/637352354.db2.gz LJYJMTYVIFFUKD-HOCLYGCPSA-N 1 1 284.403 3.051 20 30 CGEDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886012399 637361982 /nfs/dbraw/zinc/36/19/82/637361982.db2.gz GRGAWHJSYYFJEI-BPQIPLTHSA-N 1 1 298.430 3.309 20 30 CGEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886027859 637373246 /nfs/dbraw/zinc/37/32/46/637373246.db2.gz JOVIIUKDRWKQKO-SOUVJXGZSA-N 1 1 296.480 3.037 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@H+]2CC[C@@H]2c2cccc(F)c2)CCC1 ZINC000886032426 637375339 /nfs/dbraw/zinc/37/53/39/637375339.db2.gz GILIFKREAXDRMM-HZPDHXFCSA-N 1 1 288.366 3.017 20 30 CGEDMO C[C@H]1c2ccccc2C[N@@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886030753 637376000 /nfs/dbraw/zinc/37/60/00/637376000.db2.gz TWCPXLCQZDOYGE-ZFWWWQNUSA-N 1 1 270.376 3.008 20 30 CGEDMO C[N@@H+](C[C@@H](O)CC1(C#N)CCC1)C1CCC(C)(C)CC1 ZINC000886036972 637378882 /nfs/dbraw/zinc/37/88/82/637378882.db2.gz DWZFBZHVNOGBBA-HNNXBMFYSA-N 1 1 278.440 3.332 20 30 CGEDMO C[C@H](c1ccco1)[N@@H+](C[C@@H](O)CC1(C#N)CCC1)C1CC1 ZINC000886077379 637401569 /nfs/dbraw/zinc/40/15/69/637401569.db2.gz YTGMAZPWHNEUTB-HIFRSBDPSA-N 1 1 288.391 3.250 20 30 CGEDMO N#CC1(C[C@H](O)C[N@H+]2CCC=C(c3ccccc3)C2)CCC1 ZINC000886193715 637453837 /nfs/dbraw/zinc/45/38/37/637453837.db2.gz AWHURLUAHLZQPA-SFHVURJKSA-N 1 1 296.414 3.221 20 30 CGEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CC[C@H](OC)C1 ZINC000851738882 637484868 /nfs/dbraw/zinc/48/48/68/637484868.db2.gz WAFDIDMJRHKTMF-ZBFHGGJFSA-N 1 1 290.363 3.150 20 30 CGEDMO CC(C)C[N@@H+](CCOC(F)F)Cc1ccc(C#N)cc1 ZINC000851739281 637487128 /nfs/dbraw/zinc/48/71/28/637487128.db2.gz HQZSANCANZQOOJ-UHFFFAOYSA-N 1 1 282.334 3.255 20 30 CGEDMO CC1(C)CCC(C)(C)[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886296970 637488324 /nfs/dbraw/zinc/48/83/24/637488324.db2.gz GHYSGCSCMJRWRS-CQSZACIVSA-N 1 1 278.440 3.332 20 30 CGEDMO C[C@@]1(C2CCCCC2)CC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886312291 637495749 /nfs/dbraw/zinc/49/57/49/637495749.db2.gz ZLSLRNANXFBMMU-SJORKVTESA-N 1 1 290.451 3.476 20 30 CGEDMO C#CC[N@@H+](Cc1cnc2ccccc2n1)C1CCCC1 ZINC000851807201 637509192 /nfs/dbraw/zinc/50/91/92/637509192.db2.gz BPAPCFYSPMICDJ-UHFFFAOYSA-N 1 1 265.360 3.008 20 30 CGEDMO C#CC[C@H]1CC[N@H+](CC(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000886353121 637509878 /nfs/dbraw/zinc/50/98/78/637509878.db2.gz BZRLDJJGLHKIJD-INIZCTEOSA-N 1 1 298.430 3.402 20 30 CGEDMO C#CC[C@H]1CC[N@H+]([C@H](C)c2nc(-c3cccs3)no2)C1 ZINC000886356320 637510710 /nfs/dbraw/zinc/51/07/10/637510710.db2.gz XZIIEXDISFFMFH-NEPJUHHUSA-N 1 1 287.388 3.204 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2csc(CCCC)n2)C1 ZINC000886354965 637510869 /nfs/dbraw/zinc/51/08/69/637510869.db2.gz ACKHYYPSTJTMTA-CYBMUJFWSA-N 1 1 262.422 3.331 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CCCC1 ZINC000851809661 637511075 /nfs/dbraw/zinc/51/10/75/637511075.db2.gz WYQYCUGXZSYTND-UHFFFAOYSA-N 1 1 276.311 3.112 20 30 CGEDMO C#CC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CCCC1 ZINC000851809661 637511080 /nfs/dbraw/zinc/51/10/80/637511080.db2.gz WYQYCUGXZSYTND-UHFFFAOYSA-N 1 1 276.311 3.112 20 30 CGEDMO C#CC[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000886355716 637511568 /nfs/dbraw/zinc/51/15/68/637511568.db2.gz MPQHXXMUOSWZSM-HZPDHXFCSA-N 1 1 298.430 3.482 20 30 CGEDMO C#CCOCC[N@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000852155750 637607498 /nfs/dbraw/zinc/60/74/98/637607498.db2.gz MCQFQMXOUVANBE-KRWDZBQOSA-N 1 1 269.388 3.254 20 30 CGEDMO Cc1ccc2c(C[N@H+]3CCC[C@@H](CC#N)C3)cc(=O)oc2c1 ZINC000852319493 637633678 /nfs/dbraw/zinc/63/36/78/637633678.db2.gz NRSULRGZGPQNTM-AWEZNQCLSA-N 1 1 296.370 3.227 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](C[C@@H](O)c2cc3ccccc3o2)C1 ZINC000852319755 637633709 /nfs/dbraw/zinc/63/37/09/637633709.db2.gz RIGHKPMTBVXRED-UKRRQHHQSA-N 1 1 284.359 3.092 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000852320301 637634264 /nfs/dbraw/zinc/63/42/64/637634264.db2.gz YTVWJMWFKGKGGR-IAQYHMDHSA-N 1 1 296.773 3.138 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000852320301 637634265 /nfs/dbraw/zinc/63/42/65/637634265.db2.gz YTVWJMWFKGKGGR-IAQYHMDHSA-N 1 1 296.773 3.138 20 30 CGEDMO C#CCCC[N@@H+](Cc1ccccc1)[C@H]1COC(C)(C)C1 ZINC000852342919 637638922 /nfs/dbraw/zinc/63/89/22/637638922.db2.gz NJGYTGLDGNUUFC-QGZVFWFLSA-N 1 1 271.404 3.470 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)cc2F)C1 ZINC000852411934 637649768 /nfs/dbraw/zinc/64/97/68/637649768.db2.gz WRLBJORKAZCATD-MLGOLLRUSA-N 1 1 281.346 3.286 20 30 CGEDMO Cc1csc(C[C@H]2CCC[N@H+]([C@H](C)CCC#N)C2)n1 ZINC000886691570 637655417 /nfs/dbraw/zinc/65/54/17/637655417.db2.gz HGELXPZNZLVGLE-ZIAGYGMSSA-N 1 1 277.437 3.398 20 30 CGEDMO C=C(Br)C[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000852594361 637681901 /nfs/dbraw/zinc/68/19/01/637681901.db2.gz MGUOLCROFUMXRT-CYBMUJFWSA-N 1 1 288.229 3.176 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)c1ccc(C)cc1 ZINC000852685816 637695633 /nfs/dbraw/zinc/69/56/33/637695633.db2.gz KTWATSGDWVPDDJ-IXDOHACOSA-N 1 1 257.377 3.211 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886818137 637704886 /nfs/dbraw/zinc/70/48/86/637704886.db2.gz ATJDMMRUOMPDHW-LSDHHAIUSA-N 1 1 264.413 3.207 20 30 CGEDMO Oc1ccccc1/C=N\C[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000852998632 637727549 /nfs/dbraw/zinc/72/75/49/637727549.db2.gz QHSWPXRSCWGFQE-LSPINASFSA-N 1 1 280.371 3.086 20 30 CGEDMO C#Cc1cccnc1N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000853228190 637787954 /nfs/dbraw/zinc/78/79/54/637787954.db2.gz GNJYRKOMYTVUKE-YJBOKZPZSA-N 1 1 291.398 3.310 20 30 CGEDMO Fc1cc(Cl)cc(N=NC2CC[N@H+]3CCC[C@H]23)c1 ZINC000853396093 637835112 /nfs/dbraw/zinc/83/51/12/637835112.db2.gz VIBGOQFXEQKGBP-CYBMUJFWSA-N 1 1 267.735 3.115 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](CN2CCN(c3ccccc3)C2=O)C1 ZINC000853536620 637864510 /nfs/dbraw/zinc/86/45/10/637864510.db2.gz FVPLEVQZYSCENL-MRXNPFEDSA-N 1 1 299.418 3.174 20 30 CGEDMO C=CCCCCCCCNC(=O)N(CC)[C@H]1CC[N@@H+](C)C1 ZINC000854066909 637981710 /nfs/dbraw/zinc/98/17/10/637981710.db2.gz JYYTXHFDKBBJJG-INIZCTEOSA-N 1 1 295.471 3.249 20 30 CGEDMO C=C(Cl)C[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000113506095 638225742 /nfs/dbraw/zinc/22/57/42/638225742.db2.gz DESMCGILOZYXPV-UHFFFAOYSA-N 1 1 251.757 3.357 20 30 CGEDMO C=C(Cl)C[N@@H+](Cc1cccc(O)c1)CC1CC1 ZINC000113506095 638225745 /nfs/dbraw/zinc/22/57/45/638225745.db2.gz DESMCGILOZYXPV-UHFFFAOYSA-N 1 1 251.757 3.357 20 30 CGEDMO CC(C)[NH+](CCCN[C@@H](C)CC(C)(C)C#N)C(C)C ZINC000925196455 638473805 /nfs/dbraw/zinc/47/38/05/638473805.db2.gz MSTYKORUUWJFAV-HNNXBMFYSA-N 1 1 267.461 3.413 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC[C@H](Oc3ccc(C)cn3)C2)cc1 ZINC000858013874 638618175 /nfs/dbraw/zinc/61/81/75/638618175.db2.gz WSKDFQNTJWYBBE-SFHVURJKSA-N 1 1 292.382 3.025 20 30 CGEDMO C#CCCC[N@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858029575 638619519 /nfs/dbraw/zinc/61/95/19/638619519.db2.gz YRXRHTIPGJFURU-KRWDZBQOSA-N 1 1 284.403 3.216 20 30 CGEDMO C#CC[NH2+][C@H](C)c1cc(F)c(Br)cc1F ZINC000858345277 638687771 /nfs/dbraw/zinc/68/77/71/638687771.db2.gz ABCJFMZGBBLEDA-SSDOTTSWSA-N 1 1 274.108 3.011 20 30 CGEDMO COc1ccccc1[C@H]([NH2+]CCCC#N)c1ccccn1 ZINC000926131815 638716844 /nfs/dbraw/zinc/71/68/44/638716844.db2.gz GQCBMPOOTZNKCM-KRWDZBQOSA-N 1 1 281.359 3.073 20 30 CGEDMO C=C(C)[C@H]([NH2+][C@H]1CCC1(OC)OC)c1ccc(F)c(F)c1 ZINC000926206308 638740347 /nfs/dbraw/zinc/74/03/47/638740347.db2.gz MDONCKMAVQEDGW-GJZGRUSLSA-N 1 1 297.345 3.323 20 30 CGEDMO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@@H](C)CC(C)(C)C#N)[nH]1 ZINC000926274540 638757901 /nfs/dbraw/zinc/75/79/01/638757901.db2.gz BEBCPRSANCUTEW-SDDRHHMPSA-N 1 1 277.416 3.297 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CCC1)c1ccnn1CC1CCC1 ZINC000926623618 638791850 /nfs/dbraw/zinc/79/18/50/638791850.db2.gz DHJYFHJVTOBXCX-ZDUSSCGKSA-N 1 1 272.396 3.028 20 30 CGEDMO C=CCn1ncc2ccc(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc21 ZINC000927067874 638837720 /nfs/dbraw/zinc/83/77/20/638837720.db2.gz RCZGPRTZXKPPRB-IAGOWNOFSA-N 1 1 296.418 3.261 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCc3sccc3C2)CC1 ZINC000929198744 638907570 /nfs/dbraw/zinc/90/75/70/638907570.db2.gz JDJOIQNAZYVGAA-UHFFFAOYSA-N 1 1 260.406 3.436 20 30 CGEDMO COC[C@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000929637396 638936570 /nfs/dbraw/zinc/93/65/70/638936570.db2.gz BIZSEICVVFPWLI-HNNXBMFYSA-N 1 1 264.413 3.209 20 30 CGEDMO COC/C(C)=C/C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000929758442 638948249 /nfs/dbraw/zinc/94/82/49/638948249.db2.gz ZDERIDOTMIRYHY-MGJGCBFKSA-N 1 1 284.403 3.351 20 30 CGEDMO COC/C(C)=C/C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000929758442 638948250 /nfs/dbraw/zinc/94/82/50/638948250.db2.gz ZDERIDOTMIRYHY-MGJGCBFKSA-N 1 1 284.403 3.351 20 30 CGEDMO CCC[C@H](C)[C@H]1CCC[N@H+]1Cc1cncc(C#N)c1 ZINC000929855280 638957556 /nfs/dbraw/zinc/95/75/56/638957556.db2.gz QAVPZLVMJOWALT-XJKSGUPXSA-N 1 1 257.381 3.354 20 30 CGEDMO CC(C)C[C@H]1CCCC[N@H+]1Cc1cncc(C#N)c1 ZINC000930029422 638970275 /nfs/dbraw/zinc/97/02/75/638970275.db2.gz UZYLPKFEORYVPX-MRXNPFEDSA-N 1 1 257.381 3.354 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)CC1 ZINC000930178751 638979426 /nfs/dbraw/zinc/97/94/26/638979426.db2.gz HVUFXNKCWGQBLG-FOIPXRHGSA-N 1 1 290.451 3.455 20 30 CGEDMO CCOC1CC([N@@H+](C)CCCCC2(C#N)CCC2)C1 ZINC000930488724 639009222 /nfs/dbraw/zinc/00/92/22/639009222.db2.gz PRFBRZPHSFUCNN-UHFFFAOYSA-N 1 1 264.413 3.350 20 30 CGEDMO CCC[C@@]1(CO)CC[N@@H+](Cc2c(C)cc(C#N)cc2C)C1 ZINC000930504932 639013334 /nfs/dbraw/zinc/01/33/34/639013334.db2.gz NAEZYNPNLRISJX-GOSISDBHSA-N 1 1 286.419 3.160 20 30 CGEDMO N#CC1CCC(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)CC1 ZINC000930612954 639038495 /nfs/dbraw/zinc/03/84/95/639038495.db2.gz YVNGOKREQOFADT-YXYCDRMUSA-N 1 1 290.451 3.332 20 30 CGEDMO CCOC(C[N@@H+](CC)CC1CCC(C#N)CC1)OCC ZINC000930655349 639047468 /nfs/dbraw/zinc/04/74/68/639047468.db2.gz HIQBESJTSDODLD-UHFFFAOYSA-N 1 1 282.428 3.037 20 30 CGEDMO N#CC[C@@H](O)C[N@H+]1CC2(CCCCC2)[C@@H]1c1ccccc1 ZINC000930698701 639055579 /nfs/dbraw/zinc/05/55/79/639055579.db2.gz UWHJOEKWZWJKBC-SJORKVTESA-N 1 1 284.403 3.268 20 30 CGEDMO N#CC1(CCCC[N@@H+]2CCC[C@H](CCO)CC2)CCC1 ZINC000930753844 639064336 /nfs/dbraw/zinc/06/43/36/639064336.db2.gz IYLZYRXNGSTZHW-INIZCTEOSA-N 1 1 278.440 3.335 20 30 CGEDMO CC[C@@H]1C[N@H+](CC2CCC(C#N)CC2)C[C@H](CC)O1 ZINC000930750787 639064428 /nfs/dbraw/zinc/06/44/28/639064428.db2.gz VDISKPVUAPSXIV-STONLHKKSA-N 1 1 264.413 3.206 20 30 CGEDMO Cc1noc([C@@H](C)[N@H+](C)CCCCC2(C#N)CCC2)n1 ZINC000930889628 639082359 /nfs/dbraw/zinc/08/23/59/639082359.db2.gz UWEGGWAIDAWLHY-GFCCVEGCSA-N 1 1 276.384 3.235 20 30 CGEDMO Cc1noc([C@@H](C)[N@@H+](C)CCCCC2(C#N)CCC2)n1 ZINC000930889628 639082360 /nfs/dbraw/zinc/08/23/60/639082360.db2.gz UWEGGWAIDAWLHY-GFCCVEGCSA-N 1 1 276.384 3.235 20 30 CGEDMO C[C@H]1CC(F)(F)CC[N@H+]1CC1CCC(C#N)CC1 ZINC000931253970 639126891 /nfs/dbraw/zinc/12/68/91/639126891.db2.gz DLRDOMGGPZDROQ-HIFPTAJRSA-N 1 1 256.340 3.436 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2nc3cc(C)ccc3s2)C1 ZINC000859336012 639130826 /nfs/dbraw/zinc/13/08/26/639130826.db2.gz JLNVHWDMMAOEKK-CYBMUJFWSA-N 1 1 270.401 3.450 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC000931372002 639141672 /nfs/dbraw/zinc/14/16/72/639141672.db2.gz HVFJLROSKDSXEW-UONOGXRCSA-N 1 1 282.391 3.435 20 30 CGEDMO C#CCCC[N@H+]1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC000931370033 639141723 /nfs/dbraw/zinc/14/17/23/639141723.db2.gz LKRIBIDWPXIPMU-CQSZACIVSA-N 1 1 267.376 3.156 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](C[C@@H](O)c2cc3ccccc3o2)C1 ZINC000859445113 639142166 /nfs/dbraw/zinc/14/21/66/639142166.db2.gz BLDPHIAFLCKTPU-UKRRQHHQSA-N 1 1 271.360 3.364 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cc(C)nc(Cl)c2)C1 ZINC000859445279 639142861 /nfs/dbraw/zinc/14/28/61/639142861.db2.gz DNIQQXRFCBETSY-LBPRGKRZSA-N 1 1 250.773 3.441 20 30 CGEDMO C=CC[C@H]1CC[N@H+]([C@H]2CCCN(Cc3ccccc3)C2=O)C1 ZINC000859445722 639143215 /nfs/dbraw/zinc/14/32/15/639143215.db2.gz OAECDWUJRLFCRC-WMZOPIPTSA-N 1 1 298.430 3.076 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(C)nc(Cl)c2)C1 ZINC000859445278 639143297 /nfs/dbraw/zinc/14/32/97/639143297.db2.gz DNIQQXRFCBETSY-GFCCVEGCSA-N 1 1 250.773 3.441 20 30 CGEDMO CCCCCCC[N@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000859520881 639155422 /nfs/dbraw/zinc/15/54/22/639155422.db2.gz ZKHKVDJGNNZGLY-INIZCTEOSA-N 1 1 283.456 3.210 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](C[C@H](O)c2cccc3ccccc32)C1 ZINC000932154563 639278410 /nfs/dbraw/zinc/27/84/10/639278410.db2.gz KVHUFBRSWVFVTQ-KDOFPFPSSA-N 1 1 280.371 3.109 20 30 CGEDMO N#C[C@H]1CCC[N@H+](C[C@H](O)c2cccc3ccccc32)C1 ZINC000932154563 639278413 /nfs/dbraw/zinc/27/84/13/639278413.db2.gz KVHUFBRSWVFVTQ-KDOFPFPSSA-N 1 1 280.371 3.109 20 30 CGEDMO Cc1cccc(C)c1NC(=O)CCC[N@@H+]1CCC[C@@H](C#N)C1 ZINC000932161434 639279866 /nfs/dbraw/zinc/27/98/66/639279866.db2.gz LOWQFYYOXIWDJI-INIZCTEOSA-N 1 1 299.418 3.258 20 30 CGEDMO Cc1cccc(C)c1NC(=O)CCC[N@H+]1CCC[C@@H](C#N)C1 ZINC000932161434 639279871 /nfs/dbraw/zinc/27/98/71/639279871.db2.gz LOWQFYYOXIWDJI-INIZCTEOSA-N 1 1 299.418 3.258 20 30 CGEDMO C#CCCC[N@H+]([C@@H](C)COC)[C@H]1CCc2ccccc21 ZINC000860111598 639284500 /nfs/dbraw/zinc/28/45/00/639284500.db2.gz NNLBRBDREZRGBB-YJBOKZPZSA-N 1 1 271.404 3.424 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](Cc3nccs3)C2)o1 ZINC000932195711 639293215 /nfs/dbraw/zinc/29/32/15/639293215.db2.gz HVEIOBJVPLVDGH-GFCCVEGCSA-N 1 1 287.388 3.062 20 30 CGEDMO C#CC[N@H+](Cc1cc(-c2ccccc2)on1)C(C)C ZINC000932391908 639325408 /nfs/dbraw/zinc/32/54/08/639325408.db2.gz RIJNRSPROVQWIC-UHFFFAOYSA-N 1 1 254.333 3.185 20 30 CGEDMO C#CC[N@@H+](Cc1cc(-c2ccccc2)on1)C(C)C ZINC000932391908 639325412 /nfs/dbraw/zinc/32/54/12/639325412.db2.gz RIJNRSPROVQWIC-UHFFFAOYSA-N 1 1 254.333 3.185 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@H](c2ncc(C(=O)OC)s2)C1 ZINC000932673741 639373210 /nfs/dbraw/zinc/37/32/10/639373210.db2.gz SOYZCOTUXNZCNR-LBPRGKRZSA-N 1 1 294.420 3.075 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000932697613 639374881 /nfs/dbraw/zinc/37/48/81/639374881.db2.gz UBDXATFDNSFKTP-AWEZNQCLSA-N 1 1 282.428 3.189 20 30 CGEDMO C#CC[N@@H+](Cc1cnc(C)nc1)[C@@H]1CCCc2ccccc21 ZINC000933417512 639448844 /nfs/dbraw/zinc/44/88/44/639448844.db2.gz ISUJTRJGWSDORW-LJQANCHMSA-N 1 1 291.398 3.298 20 30 CGEDMO C#CC[N@H+](Cc1cnc(C)nc1)[C@@H]1CCCc2ccccc21 ZINC000933417512 639448846 /nfs/dbraw/zinc/44/88/46/639448846.db2.gz ISUJTRJGWSDORW-LJQANCHMSA-N 1 1 291.398 3.298 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@H](Cc2nc(C)no2)C1 ZINC000933566876 639461731 /nfs/dbraw/zinc/46/17/31/639461731.db2.gz ZBTJPXQPUFFWTP-MRXNPFEDSA-N 1 1 289.423 3.216 20 30 CGEDMO N#Cc1ccc(C2CC[NH+](Cc3nccs3)CC2)cc1 ZINC000933611288 639469343 /nfs/dbraw/zinc/46/93/43/639469343.db2.gz QNKHJNMXTNBPAV-UHFFFAOYSA-N 1 1 283.400 3.394 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000934463182 639612548 /nfs/dbraw/zinc/61/25/48/639612548.db2.gz UOTOZCZMDLIJMB-UTUOFQBUSA-N 1 1 263.303 3.137 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000934465600 639613992 /nfs/dbraw/zinc/61/39/92/639613992.db2.gz DPGMQJLHDDNZFH-MRXNPFEDSA-N 1 1 295.382 3.432 20 30 CGEDMO C=CCCC[N@H+](CC)CCc1nc2ccccc2n1C ZINC000934647430 639649044 /nfs/dbraw/zinc/64/90/44/639649044.db2.gz ZDYDTGFKRUTNMU-UHFFFAOYSA-N 1 1 271.408 3.404 20 30 CGEDMO C=CCCC[N@@H+](CC)Cc1nnc(C(C)C)s1 ZINC000934646559 639649063 /nfs/dbraw/zinc/64/90/63/639649063.db2.gz HQOWKSDNFYJJIX-UHFFFAOYSA-N 1 1 253.415 3.450 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1nnc(C(C)C)s1 ZINC000934646559 639649067 /nfs/dbraw/zinc/64/90/67/639649067.db2.gz HQOWKSDNFYJJIX-UHFFFAOYSA-N 1 1 253.415 3.450 20 30 CGEDMO C=CCSc1nc2ccccc2n1C[N@H+](C)C1CC1 ZINC000192562232 640386790 /nfs/dbraw/zinc/38/67/90/640386790.db2.gz DINYGSVABNWOEZ-UHFFFAOYSA-N 1 1 273.405 3.366 20 30 CGEDMO CC[C@@H]1C[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)CCS1 ZINC000245735917 640635339 /nfs/dbraw/zinc/63/53/39/640635339.db2.gz KSRJUPBUXZSMQE-CZUORRHYSA-N 1 1 290.432 3.305 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C)C2)cc1 ZINC000245786967 640638123 /nfs/dbraw/zinc/63/81/23/640638123.db2.gz VJSUHSSSAHLLJL-RBSFLKMASA-N 1 1 272.392 3.455 20 30 CGEDMO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H](C)C#N ZINC000091982208 640728417 /nfs/dbraw/zinc/72/84/17/640728417.db2.gz PYZBFSQRQKGKPN-SNVBAGLBSA-N 1 1 297.196 3.136 20 30 CGEDMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@H](C)C#N ZINC000091982208 640728422 /nfs/dbraw/zinc/72/84/22/640728422.db2.gz PYZBFSQRQKGKPN-SNVBAGLBSA-N 1 1 297.196 3.136 20 30 CGEDMO CCCN(CC)CCNC(=[NH2+])Nc1cccc(C(C)C)c1 ZINC000304495787 640864582 /nfs/dbraw/zinc/86/45/82/640864582.db2.gz NMKPAVBIEIMLSY-UHFFFAOYSA-N 1 1 290.455 3.269 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC23CC3)C1 ZINC001007621475 640943865 /nfs/dbraw/zinc/94/38/65/640943865.db2.gz XQCVDCPLGNIZCM-HOTGVXAUSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001007608957 640944213 /nfs/dbraw/zinc/94/42/13/640944213.db2.gz NGEPHUPCNXSSII-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C)c2cccs2)C1 ZINC001008499199 640952050 /nfs/dbraw/zinc/95/20/50/640952050.db2.gz JEXDCWWMBGDVFX-KGLIPLIRSA-N 1 1 292.448 3.008 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)c2ccsc2)C1 ZINC001008502363 640952122 /nfs/dbraw/zinc/95/21/22/640952122.db2.gz OZYFJSFAZWRZQZ-DZGCQCFKSA-N 1 1 292.448 3.008 20 30 CGEDMO C#CC[C@H](Nc1cc(C)[nH+]c(C)n1)c1ccccc1 ZINC000270248557 640972490 /nfs/dbraw/zinc/97/24/90/640972490.db2.gz ROPWVJACMUHOSC-HNNXBMFYSA-N 1 1 251.333 3.270 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC)C1 ZINC001015624368 640982522 /nfs/dbraw/zinc/98/25/22/640982522.db2.gz ICBWZJCTVKCAHY-MRXNPFEDSA-N 1 1 286.419 3.019 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](CCC(C)(C)C)C2)CC1 ZINC001015660278 640983871 /nfs/dbraw/zinc/98/38/71/640983871.db2.gz WOUCYPIALDCHNV-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001015830421 640987204 /nfs/dbraw/zinc/98/72/04/640987204.db2.gz UMZGTEGACQWVDN-GOSISDBHSA-N 1 1 296.414 3.026 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC001016086679 640991553 /nfs/dbraw/zinc/99/15/53/640991553.db2.gz VIMSTMVQNZFEQC-GOSISDBHSA-N 1 1 294.398 3.220 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001016316287 640994096 /nfs/dbraw/zinc/99/40/96/640994096.db2.gz LQNYMJVRJHTLNP-FUHWJXTLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CCCCC2(C)C)C1 ZINC001016425215 640999552 /nfs/dbraw/zinc/99/95/52/640999552.db2.gz SJCMZFPFQWXKRF-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(=C)Cl ZINC001017584516 641014703 /nfs/dbraw/zinc/01/47/03/641014703.db2.gz NSGWBSHFHPRVEL-OKILXGFUSA-N 1 1 296.842 3.016 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H](C)C1 ZINC001017865825 641017152 /nfs/dbraw/zinc/01/71/52/641017152.db2.gz QWJNVVWMVJUMFH-LUKYLMHMSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)CCCC(C)C ZINC001155401273 805578152 /nfs/dbraw/zinc/57/81/52/805578152.db2.gz XFVIPORNNQDSNF-OAHLLOKOSA-N 1 1 268.445 3.215 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1ccc(F)c(C(=O)OC)c1F ZINC001250430875 805611333 /nfs/dbraw/zinc/61/13/33/805611333.db2.gz XCSFJJVODIKWMJ-UHFFFAOYSA-N 1 1 283.318 3.149 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(F)c(C(=O)OC)c1F ZINC001250430875 805611338 /nfs/dbraw/zinc/61/13/38/805611338.db2.gz XCSFJJVODIKWMJ-UHFFFAOYSA-N 1 1 283.318 3.149 20 30 CGEDMO C[NH+](C)Cc1ccc2nc(-c3ccc(C#N)cc3)[nH]c2c1 ZINC001250468081 805635988 /nfs/dbraw/zinc/63/59/88/805635988.db2.gz VHVOZQIDJKWEHC-UHFFFAOYSA-N 1 1 276.343 3.163 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)CC(C)C ZINC001156040986 805645004 /nfs/dbraw/zinc/64/50/04/805645004.db2.gz HPXRANJHHMFZAJ-JKSUJKDBSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](CC)CC(C)C ZINC001156247863 805668300 /nfs/dbraw/zinc/66/83/00/805668300.db2.gz HOVCFUWVXHAPHX-HUUCEWRRSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)c1ccco1 ZINC001156422025 805689534 /nfs/dbraw/zinc/68/95/34/805689534.db2.gz VMIIWKAFQVELQG-HUUCEWRRSA-N 1 1 292.423 3.176 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](CC)C(C)C ZINC001156465953 805699780 /nfs/dbraw/zinc/69/97/80/805699780.db2.gz IPNNUPRXAXZOJL-HZPDHXFCSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1cc(C)c(CC)s1 ZINC001156787576 805735908 /nfs/dbraw/zinc/73/59/08/805735908.db2.gz MKTDNLXLZDAPLX-CYBMUJFWSA-N 1 1 294.464 3.245 20 30 CGEDMO C=CCCCC[N@H+](C)C[C@H](O)COc1ccc(Cl)cc1 ZINC001250670431 805753728 /nfs/dbraw/zinc/75/37/28/805753728.db2.gz COBVVZXTYHAPLT-HNNXBMFYSA-N 1 1 297.826 3.368 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCCNc1nccc(Cl)c1C#N ZINC001156929287 805756325 /nfs/dbraw/zinc/75/63/25/805756325.db2.gz UCRVDCIWJMVPRI-GFCCVEGCSA-N 1 1 292.814 3.283 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)C1CC1 ZINC001157145663 805785077 /nfs/dbraw/zinc/78/50/77/805785077.db2.gz HGEXHMLJSNLUOT-DGCLKSJQSA-N 1 1 286.847 3.002 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)C1CC1 ZINC001157145663 805785083 /nfs/dbraw/zinc/78/50/83/805785083.db2.gz HGEXHMLJSNLUOT-DGCLKSJQSA-N 1 1 286.847 3.002 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)C(C)(C)F ZINC001157428259 805810218 /nfs/dbraw/zinc/81/02/18/805810218.db2.gz UWAFJHORBWYQIC-CQSZACIVSA-N 1 1 284.419 3.014 20 30 CGEDMO CCC[N@H+]1CCCC[C@H]1c1ccc(N(C)[C@H](C)C#N)nc1 ZINC001157491493 805824404 /nfs/dbraw/zinc/82/44/04/805824404.db2.gz SQLUUWBVXVQCSV-ZBFHGGJFSA-N 1 1 286.423 3.367 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)c1cccs1 ZINC001157470995 805818882 /nfs/dbraw/zinc/81/88/82/805818882.db2.gz YZVBNDLGBVTQQO-CQSZACIVSA-N 1 1 292.448 3.251 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC=CCC1 ZINC001157517125 805826581 /nfs/dbraw/zinc/82/65/81/805826581.db2.gz SWDBIVCIFBQXBC-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CSCCC ZINC001157623706 805842598 /nfs/dbraw/zinc/84/25/98/805842598.db2.gz ZDORFLHLBRYHGE-OAHLLOKOSA-N 1 1 298.496 3.019 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)/C=C/C1CC1 ZINC001157761811 805863915 /nfs/dbraw/zinc/86/39/15/805863915.db2.gz CVDHQLQQSIRYRZ-FMQWLBJXSA-N 1 1 290.451 3.232 20 30 CGEDMO C[NH+](C)Cc1ccc2nc(-c3ccc(C#N)s3)[nH]c2c1 ZINC001251218010 805865347 /nfs/dbraw/zinc/86/53/47/805865347.db2.gz JVDFBDAORDBQDO-UHFFFAOYSA-N 1 1 282.372 3.225 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC1(C)C ZINC001157818011 805877240 /nfs/dbraw/zinc/87/72/40/805877240.db2.gz DHKXNXJBDVPMRI-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)CCC ZINC001158011705 805913354 /nfs/dbraw/zinc/91/33/54/805913354.db2.gz LWQIAQBGZYDEMY-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC(C)=C(C)C ZINC001158329078 805938401 /nfs/dbraw/zinc/93/84/01/805938401.db2.gz ITFYEBKUHSCKSI-MRXNPFEDSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](F)CC ZINC001158328839 805938497 /nfs/dbraw/zinc/93/84/97/805938497.db2.gz BPBIXKBYZLKTTE-HUUCEWRRSA-N 1 1 284.419 3.014 20 30 CGEDMO CC(C)c1ccc(C#N)c(N2CC[N@@H+](C)CC23CCCC3)n1 ZINC001158408295 805951332 /nfs/dbraw/zinc/95/13/32/805951332.db2.gz FHNLCPMLCMMNTQ-UHFFFAOYSA-N 1 1 298.434 3.141 20 30 CGEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+]([C@H](C)CCC)CCO2 ZINC001257322695 807107987 /nfs/dbraw/zinc/10/79/87/807107987.db2.gz ZKSBYBVZKIOPES-IXDOHACOSA-N 1 1 281.440 3.249 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@@H]1COC ZINC001252121093 806006943 /nfs/dbraw/zinc/00/69/43/806006943.db2.gz CELHAYOWIZBIBW-HZPDHXFCSA-N 1 1 271.445 3.209 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@@H](OC)C1 ZINC001252121015 806007437 /nfs/dbraw/zinc/00/74/37/806007437.db2.gz BAYXWCSBFCMPEU-JKSUJKDBSA-N 1 1 271.445 3.209 20 30 CGEDMO CCCCCCCC[C@@H](O)CNc1[nH+]cnc2[nH]ccc21 ZINC001252122435 806009899 /nfs/dbraw/zinc/00/98/99/806009899.db2.gz VJVMRUPTRIUJSV-CYBMUJFWSA-N 1 1 290.411 3.481 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+]1CCC(=O)[C@H](C)CC1 ZINC001252123216 806012013 /nfs/dbraw/zinc/01/20/13/806012013.db2.gz DQQJSSMZLBHZMG-HZPDHXFCSA-N 1 1 283.456 3.399 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CC[C@]2(CCOC2)C1 ZINC001252124890 806012949 /nfs/dbraw/zinc/01/29/49/806012949.db2.gz UXIWTOICWRUHSA-IRXDYDNUSA-N 1 1 283.456 3.210 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)CC2CCCC2)CC1 ZINC001159124735 806046618 /nfs/dbraw/zinc/04/66/18/806046618.db2.gz VZFLVTWBFDXBMB-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)C=C(C)C)CC1 ZINC001159187512 806056957 /nfs/dbraw/zinc/05/69/57/806056957.db2.gz SPHYVFYTHQKTEN-INIZCTEOSA-N 1 1 290.451 3.446 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)C[C@H]2C=CCC2)CC1 ZINC001159225826 806061495 /nfs/dbraw/zinc/06/14/95/806061495.db2.gz RRAQGBBSCCTZPI-KRWDZBQOSA-N 1 1 288.435 3.057 20 30 CGEDMO C=C[C@@](C)(O)C[N@@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC001252554640 806062252 /nfs/dbraw/zinc/06/22/52/806062252.db2.gz IYNBWYDOVKKMNL-MRXNPFEDSA-N 1 1 290.794 3.116 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC001252554640 806062261 /nfs/dbraw/zinc/06/22/61/806062261.db2.gz IYNBWYDOVKKMNL-MRXNPFEDSA-N 1 1 290.794 3.116 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001252554114 806062286 /nfs/dbraw/zinc/06/22/86/806062286.db2.gz BIXQAXAGTOHSAS-UKRRQHHQSA-N 1 1 299.336 3.432 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1[C@@H](CC)CO[C@]1(C)CCC(C)C ZINC001252560295 806065986 /nfs/dbraw/zinc/06/59/86/806065986.db2.gz QXCLEWCCESRNDU-HRCADAONSA-N 1 1 269.429 3.187 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1CCC[C@@]2(CCc3c2cccc3F)C1 ZINC001252560041 806066654 /nfs/dbraw/zinc/06/66/54/806066654.db2.gz FIVLHXSOWBYVBL-ZWKOTPCHSA-N 1 1 289.394 3.043 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001252560431 806066991 /nfs/dbraw/zinc/06/69/91/806066991.db2.gz RWFPVCLGUPBVIK-BXUZGUMPSA-N 1 1 253.773 3.270 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cccnc1 ZINC001252598778 806081922 /nfs/dbraw/zinc/08/19/22/806081922.db2.gz QZFYSYFHVBUDGF-LJQANCHMSA-N 1 1 296.414 3.411 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H](c2cccc(OC)c2)C1 ZINC001252603987 806082918 /nfs/dbraw/zinc/08/29/18/806082918.db2.gz KLFSPSDZVJTJNH-DLBZAZTESA-N 1 1 289.419 3.202 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CCNC(=O)CCC=C)CC1 ZINC001159544117 806119158 /nfs/dbraw/zinc/11/91/58/806119158.db2.gz HGJTXQOSYIVZKZ-UHFFFAOYSA-N 1 1 276.424 3.057 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[N@H+]1C[C@H](C)[C@H](O)C1 ZINC001252978989 806143641 /nfs/dbraw/zinc/14/36/41/806143641.db2.gz HTZVEGNQZDYRBV-YESZJQIVSA-N 1 1 285.472 3.191 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[N@H+]1CCC[C@@H](O)C1 ZINC001252979658 806145341 /nfs/dbraw/zinc/14/53/41/806145341.db2.gz MCWQAKMXWLYRGV-IAGOWNOFSA-N 1 1 285.472 3.335 20 30 CGEDMO C=CCCCCCC[C@@H](O)CNc1[nH+]c(C)ccc1O ZINC001253232974 806186886 /nfs/dbraw/zinc/18/68/86/806186886.db2.gz XVOWPCFTVMWUEF-CQSZACIVSA-N 1 1 278.396 3.395 20 30 CGEDMO C=CCCCCCC[C@H](O)C[NH+]1CC2(C1)CCCCO2 ZINC001253235994 806188759 /nfs/dbraw/zinc/18/87/59/806188759.db2.gz PZIINQPXNWWMHN-INIZCTEOSA-N 1 1 281.440 3.129 20 30 CGEDMO C=CCCCCCC[C@H](O)CN1CCC([N@H+](C)CC)CC1 ZINC001253243534 806193868 /nfs/dbraw/zinc/19/38/68/806193868.db2.gz WYLWGKUJHAWGAW-SFHVURJKSA-N 1 1 296.499 3.290 20 30 CGEDMO C=C[C@H](O)C[N@H+](C)Cc1cccc(Oc2ccccc2)c1 ZINC001253586854 806265055 /nfs/dbraw/zinc/26/50/55/806265055.db2.gz TUEKVJNLGLUVPR-INIZCTEOSA-N 1 1 283.371 3.458 20 30 CGEDMO COC1CCC(CCNc2[nH+]ccc3[nH]cc(C#N)c32)CC1 ZINC001160641539 806290687 /nfs/dbraw/zinc/29/06/87/806290687.db2.gz AEJZICOXNSQQRT-UHFFFAOYSA-N 1 1 298.390 3.442 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)C(C)(C)C(=C)C)CC1 ZINC001160860903 806311955 /nfs/dbraw/zinc/31/19/55/806311955.db2.gz OTQXUCQLVKBRFV-UHFFFAOYSA-N 1 1 290.451 3.303 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1cc(CSC)ccn1 ZINC001160957465 806327724 /nfs/dbraw/zinc/32/77/24/806327724.db2.gz LSGNAXMHDRBHPN-AWEZNQCLSA-N 1 1 277.437 3.007 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)C[C@@H]2C[C@@H]2C)CC1 ZINC001161113249 806350182 /nfs/dbraw/zinc/35/01/82/806350182.db2.gz PDJODEVHYGMCNF-RDJZCZTQSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)C2(C)CC=CC2)CC1 ZINC001161102105 806350371 /nfs/dbraw/zinc/35/03/71/806350371.db2.gz SIIFQBHIPNXNDV-UHFFFAOYSA-N 1 1 288.435 3.057 20 30 CGEDMO C=CCOC(=O)[C@@H]([NH2+]C1CCC(F)(F)CC1)[C@@H](C)CC ZINC001254208728 806363824 /nfs/dbraw/zinc/36/38/24/806363824.db2.gz WLBISUKCIRRYLT-AAEUAGOBSA-N 1 1 289.366 3.298 20 30 CGEDMO COCc1ccc(CNc2[nH+]c(C)ccc2CC#N)cc1 ZINC001161327587 806367925 /nfs/dbraw/zinc/36/79/25/806367925.db2.gz WTXIFWBRVWEPHQ-UHFFFAOYSA-N 1 1 281.359 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[C@@H](C)C2)CC1 ZINC001161398003 806373747 /nfs/dbraw/zinc/37/37/47/806373747.db2.gz MBGZYXITFZAKPS-NVXWUHKLSA-N 1 1 290.451 3.137 20 30 CGEDMO CC[C@@H]([NH2+][C@@H]1CCCN(C)CC1)c1cccc(C#N)c1 ZINC001254508449 806427767 /nfs/dbraw/zinc/42/77/67/806427767.db2.gz QWSJYKXKKVGUQS-IAGOWNOFSA-N 1 1 271.408 3.083 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)c2ccc(C)cc2)CC1 ZINC001161771864 806451923 /nfs/dbraw/zinc/45/19/23/806451923.db2.gz XJZZFMWEOBSFPH-UHFFFAOYSA-N 1 1 298.430 3.323 20 30 CGEDMO C[N@@H+](Cc1cccc2cccnc21)[C@@H]1CC[C@H](C#N)C1 ZINC001254668812 806479206 /nfs/dbraw/zinc/47/92/06/806479206.db2.gz LPALBJZDPMAHIF-XJKSGUPXSA-N 1 1 265.360 3.359 20 30 CGEDMO N#C[C@H]1CC[C@H]([N@H+]2CCCC3(CC(F)C3)CC2)C1 ZINC001254670418 806480981 /nfs/dbraw/zinc/48/09/81/806480981.db2.gz JJCGOLZVVIVYQW-LQULJDIASA-N 1 1 250.361 3.283 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254958027 806519228 /nfs/dbraw/zinc/51/92/28/806519228.db2.gz ZKUPHQCZZIGQEK-HZPDHXFCSA-N 1 1 269.388 3.432 20 30 CGEDMO FC(F)(F)C(F)(F)C(F)(F)C[NH2+]C1CCSCC1 ZINC001255080408 806537488 /nfs/dbraw/zinc/53/74/88/806537488.db2.gz MPANFBQUTWATLN-UHFFFAOYSA-N 1 1 299.255 3.305 20 30 CGEDMO CN(CCC#N)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255135457 806551392 /nfs/dbraw/zinc/55/13/92/806551392.db2.gz BLJYPDWPRJRKFJ-PIIMJCKOSA-N 1 1 283.419 3.027 20 30 CGEDMO C[C@H](C#N)N(C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255151832 806554531 /nfs/dbraw/zinc/55/45/31/806554531.db2.gz YMKADVLOWKQSCP-NRSFXHEJSA-N 1 1 283.419 3.026 20 30 CGEDMO C[N@H+]1CCC[C@@](C)(Nc2cc(C#N)c3ccccc3n2)C1 ZINC001162337874 806556387 /nfs/dbraw/zinc/55/63/87/806556387.db2.gz URBZYDLTCOHPGZ-QGZVFWFLSA-N 1 1 280.375 3.003 20 30 CGEDMO CC[C@H](CC#N)[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2OCC1CC1 ZINC001255169798 806565546 /nfs/dbraw/zinc/56/55/46/806565546.db2.gz KKYZJAKQFFECPJ-NCOADZHNSA-N 1 1 276.424 3.206 20 30 CGEDMO CC[C@@H](CC#N)N1CC[C@@]2(CCC[N@H+]2Cc2ccccc2)C1 ZINC001255179861 806571926 /nfs/dbraw/zinc/57/19/26/806571926.db2.gz SOVQIZCSSZGAPQ-OALUTQOASA-N 1 1 297.446 3.419 20 30 CGEDMO C[N@H+]1CCCC[C@@H]1c1ccc(NCC2(C#N)CCC2)nc1 ZINC001162413610 806582303 /nfs/dbraw/zinc/58/23/03/806582303.db2.gz ZDPLJRXVUWAGFZ-OAHLLOKOSA-N 1 1 284.407 3.344 20 30 CGEDMO N#CC1CCN([C@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255399677 806633054 /nfs/dbraw/zinc/63/30/54/806633054.db2.gz XDJCSSVHTQQPMZ-IBGZPJMESA-N 1 1 297.446 3.277 20 30 CGEDMO C#C[C@H]1CCC[N@@H+]([C@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001255406069 806634452 /nfs/dbraw/zinc/63/44/52/806634452.db2.gz OZIOWKPEONTLIV-ICSRJNTNSA-N 1 1 296.458 3.386 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001255406069 806634456 /nfs/dbraw/zinc/63/44/56/806634456.db2.gz OZIOWKPEONTLIV-ICSRJNTNSA-N 1 1 296.458 3.386 20 30 CGEDMO C=CC[N@@H+](C)[C@@H]1CCCN(Cc2ccccc2)CC1 ZINC001255404487 806635764 /nfs/dbraw/zinc/63/57/64/806635764.db2.gz JMEOMLKTQKLJEE-QGZVFWFLSA-N 1 1 258.409 3.159 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(Cc2ccccc2)CC1 ZINC001255404487 806635768 /nfs/dbraw/zinc/63/57/68/806635768.db2.gz JMEOMLKTQKLJEE-QGZVFWFLSA-N 1 1 258.409 3.159 20 30 CGEDMO C=CCN(C)[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255404487 806635771 /nfs/dbraw/zinc/63/57/71/806635771.db2.gz JMEOMLKTQKLJEE-QGZVFWFLSA-N 1 1 258.409 3.159 20 30 CGEDMO C=CCN(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255404487 806635775 /nfs/dbraw/zinc/63/57/75/806635775.db2.gz JMEOMLKTQKLJEE-QGZVFWFLSA-N 1 1 258.409 3.159 20 30 CGEDMO N#CC1CCN([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255399677 806633055 /nfs/dbraw/zinc/63/30/55/806633055.db2.gz XDJCSSVHTQQPMZ-IBGZPJMESA-N 1 1 297.446 3.277 20 30 CGEDMO CC(C)(C)C(=[NH2+])Nc1cc(C#N)cc(C(F)(F)F)n1 ZINC001162657977 806642061 /nfs/dbraw/zinc/64/20/61/806642061.db2.gz YLINIXKMGBWTKG-UHFFFAOYSA-N 1 1 270.258 3.407 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C)C1 ZINC001255485512 806650732 /nfs/dbraw/zinc/65/07/32/806650732.db2.gz DCUSKRQWGMEEAM-QGZVFWFLSA-N 1 1 258.409 3.159 20 30 CGEDMO C#C[C@H]1CCC[N@H+](C2CCC(C(F)(F)F)CC2)C1 ZINC001255521006 806660614 /nfs/dbraw/zinc/66/06/14/806660614.db2.gz QCWNVGSOGMYSDP-HIFPTAJRSA-N 1 1 259.315 3.453 20 30 CGEDMO C[C@H](CC(F)(F)F)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC001255646041 806692191 /nfs/dbraw/zinc/69/21/91/806692191.db2.gz LVUYXJGDALHWEP-GFCCVEGCSA-N 1 1 297.324 3.021 20 30 CGEDMO C#CCOc1ccc(C[N@@H+](C)Cc2ccccc2)cc1OC ZINC000077252921 798927541 /nfs/dbraw/zinc/92/75/41/798927541.db2.gz IZNBEHLESZXHHS-UHFFFAOYSA-N 1 1 295.382 3.339 20 30 CGEDMO C#CCOc1ccc(C[N@H+](C(C)C)C2CCOCC2)cc1 ZINC000093604917 798965476 /nfs/dbraw/zinc/96/54/76/798965476.db2.gz HAIYXMPCGOMXJG-UHFFFAOYSA-N 1 1 287.403 3.088 20 30 CGEDMO CC[C@H](C)[N@@H+](C)CCNc1nc2ccccc2cc1C#N ZINC000218081946 799135540 /nfs/dbraw/zinc/13/55/40/799135540.db2.gz PHEVFRNZIFJJCF-ZDUSSCGKSA-N 1 1 282.391 3.249 20 30 CGEDMO C=C(Br)C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000307267747 799215446 /nfs/dbraw/zinc/21/54/46/799215446.db2.gz FEBDWUHQLYMBMT-VXGBXAGGSA-N 1 1 258.203 3.407 20 30 CGEDMO C#C[C@@](C)(CC)Nc1[nH+]ccc2ccc(OC)cc21 ZINC000384191479 799412939 /nfs/dbraw/zinc/41/29/39/799412939.db2.gz HFVTVFGWMJRWNU-INIZCTEOSA-N 1 1 254.333 3.457 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+](Cc1ccccc1)[C@@H](C)C1CC1 ZINC000385768563 799429357 /nfs/dbraw/zinc/42/93/57/799429357.db2.gz BISSFFYJDBJHNK-GJZGRUSLSA-N 1 1 272.392 3.216 20 30 CGEDMO CC[C@@H](C)[N@@H+](CCO[C@H](C)C#N)Cc1ccccc1 ZINC000387322504 799445883 /nfs/dbraw/zinc/44/58/83/799445883.db2.gz CQHFKVCFJPIYGA-HUUCEWRRSA-N 1 1 260.381 3.216 20 30 CGEDMO CC(C)C[N@H+](CCC#N)CCCCC1CCOCC1 ZINC000388796569 799456899 /nfs/dbraw/zinc/45/68/99/799456899.db2.gz NYEQIKAMSDHPTR-UHFFFAOYSA-N 1 1 266.429 3.455 20 30 CGEDMO C#CCNc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001163367711 806750422 /nfs/dbraw/zinc/75/04/22/806750422.db2.gz BOSOWXPFUUJVKK-UHFFFAOYSA-N 1 1 262.356 3.248 20 30 CGEDMO CCCCCCCCN1CCC(F)(F)[C@H](C[NH3+])C1 ZINC000403311826 799565177 /nfs/dbraw/zinc/56/51/77/799565177.db2.gz XYAIDLCQUNLUHM-CYBMUJFWSA-N 1 1 262.388 3.263 20 30 CGEDMO CCC#C[C@H](C)[N@@H+](CC)Cc1ccc(OC)cc1OC ZINC001167233856 807169057 /nfs/dbraw/zinc/16/90/57/807169057.db2.gz RNOBWFNXUIYEPS-AWEZNQCLSA-N 1 1 275.392 3.328 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)c1ccc([N+](=O)[O-])cc1Cl ZINC001163604380 806791096 /nfs/dbraw/zinc/79/10/96/806791096.db2.gz BBKBMLMTKOYOCV-UHFFFAOYSA-N 1 1 297.786 3.192 20 30 CGEDMO C[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000708721789 799993583 /nfs/dbraw/zinc/99/35/83/799993583.db2.gz YLUPWMCHOJAAHX-CYBMUJFWSA-N 1 1 286.272 3.472 20 30 CGEDMO C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000708721789 799993588 /nfs/dbraw/zinc/99/35/88/799993588.db2.gz YLUPWMCHOJAAHX-CYBMUJFWSA-N 1 1 286.272 3.472 20 30 CGEDMO N#Cc1cc(F)cc(C[N@@H+]2CCc3ccsc3C2)c1 ZINC000711874665 800078970 /nfs/dbraw/zinc/07/89/70/800078970.db2.gz OEMAKZVMABQUOB-UHFFFAOYSA-N 1 1 272.348 3.317 20 30 CGEDMO N#Cc1cc(F)cc(C[N@H+]2CCc3ccsc3C2)c1 ZINC000711874665 800078981 /nfs/dbraw/zinc/07/89/81/800078981.db2.gz OEMAKZVMABQUOB-UHFFFAOYSA-N 1 1 272.348 3.317 20 30 CGEDMO CC[C@H](CC#N)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716624553 800177610 /nfs/dbraw/zinc/17/76/10/800177610.db2.gz IHLVLWWNHDNZAM-MANSERQUSA-N 1 1 297.446 3.321 20 30 CGEDMO C[C@H](COCc1ccccc1)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000719610305 800245697 /nfs/dbraw/zinc/24/56/97/800245697.db2.gz LSACMDARUDWTGG-IRXDYDNUSA-N 1 1 286.419 3.465 20 30 CGEDMO C[C@@H](COCc1ccccc1)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000719610304 800245908 /nfs/dbraw/zinc/24/59/08/800245908.db2.gz LSACMDARUDWTGG-IAGOWNOFSA-N 1 1 286.419 3.465 20 30 CGEDMO CC(C)(O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000719643086 800247399 /nfs/dbraw/zinc/24/73/99/800247399.db2.gz PLBYVHDMWJOZIF-AWEZNQCLSA-N 1 1 292.810 3.195 20 30 CGEDMO CCC1CCC([N@@H+](C)Cc2cncc(C#N)c2)CC1 ZINC000721556434 800293578 /nfs/dbraw/zinc/29/35/78/800293578.db2.gz BIXGASCZORGSMG-UHFFFAOYSA-N 1 1 257.381 3.354 20 30 CGEDMO C=C(C[NH2+]Cc1nnc(C2CC2)s1)c1ccccc1 ZINC000892712086 800568106 /nfs/dbraw/zinc/56/81/06/800568106.db2.gz OGWJGEZAGBOFCI-UHFFFAOYSA-N 1 1 271.389 3.219 20 30 CGEDMO C[C@H](Cc1cccc(Br)c1)[N@H+](C)CCC#N ZINC001256179170 806844019 /nfs/dbraw/zinc/84/40/19/806844019.db2.gz ALWSOPSCJWVKLY-LLVKDONJSA-N 1 1 281.197 3.226 20 30 CGEDMO C[C@H](Cc1cccc(Br)c1)[N@@H+](C)CCC#N ZINC001256179170 806844025 /nfs/dbraw/zinc/84/40/25/806844025.db2.gz ALWSOPSCJWVKLY-LLVKDONJSA-N 1 1 281.197 3.226 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000934459904 800678603 /nfs/dbraw/zinc/67/86/03/800678603.db2.gz IDLNBHHZQJVYOC-AWEZNQCLSA-N 1 1 299.330 3.400 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000934459904 800678606 /nfs/dbraw/zinc/67/86/06/800678606.db2.gz IDLNBHHZQJVYOC-AWEZNQCLSA-N 1 1 299.330 3.400 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1nc(-c2ccc(C)c(OC)c2)no1 ZINC000934459915 800678727 /nfs/dbraw/zinc/67/87/27/800678727.db2.gz IFLBEZAWTBZFJI-CQSZACIVSA-N 1 1 299.374 3.204 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1nc(-c2ccc(C)c(OC)c2)no1 ZINC000934459915 800678733 /nfs/dbraw/zinc/67/87/33/800678733.db2.gz IFLBEZAWTBZFJI-CQSZACIVSA-N 1 1 299.374 3.204 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccsc2Cl)C1 ZINC001008758856 800699164 /nfs/dbraw/zinc/69/91/64/800699164.db2.gz AGTZRNGMQCXOIY-LLVKDONJSA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)c2sccc2C)C1 ZINC001023202098 800706032 /nfs/dbraw/zinc/70/60/32/800706032.db2.gz KGZXXTSHHXKSED-AWEZNQCLSA-N 1 1 292.448 3.074 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001023544183 800712414 /nfs/dbraw/zinc/71/24/14/800712414.db2.gz BOKMNSIRYNVNAQ-CVEARBPZSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001023769287 800715115 /nfs/dbraw/zinc/71/51/15/800715115.db2.gz YSRPHFRZWQIYTO-HOTGVXAUSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](CNC(=O)c2cc3ccccc3o2)C1 ZINC001023736816 800715352 /nfs/dbraw/zinc/71/53/52/800715352.db2.gz JPDUPRGEGFPATR-CQSZACIVSA-N 1 1 298.386 3.061 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)c(C)o1 ZINC001024388499 800726884 /nfs/dbraw/zinc/72/68/84/800726884.db2.gz JRWXOAKOSCAVQN-OAHLLOKOSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc2occc2c1 ZINC001024454026 800728300 /nfs/dbraw/zinc/72/83/00/800728300.db2.gz YBLRKTGWJFVUIJ-MRXNPFEDSA-N 1 1 298.386 3.203 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001024455213 800728438 /nfs/dbraw/zinc/72/84/38/800728438.db2.gz KVRIFOYBHNPDFG-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCC ZINC001025191256 800746463 /nfs/dbraw/zinc/74/64/63/800746463.db2.gz HBUASAPHKPGOFN-JKSUJKDBSA-N 1 1 278.440 3.208 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCCC[C@H]2[C@H]2CCC[N@@H+]2CC)C1 ZINC001025270043 800753199 /nfs/dbraw/zinc/75/31/99/800753199.db2.gz ZVUFEWUSPLNTAO-CVEARBPZSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2CCCC2)C1 ZINC001025320659 800755086 /nfs/dbraw/zinc/75/50/86/800755086.db2.gz OPXCQYKIUZMSNP-ZFWWWQNUSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2=CCCC2)C1 ZINC001025376728 800759232 /nfs/dbraw/zinc/75/92/32/800759232.db2.gz ZZCVRTOHDRBTHG-DZGCQCFKSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)CC2CCCCC2)C1 ZINC001027287267 800789770 /nfs/dbraw/zinc/78/97/70/800789770.db2.gz IYYWOFLIJQZWLH-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)C2CCCC2)C1 ZINC001027444651 800797220 /nfs/dbraw/zinc/79/72/20/800797220.db2.gz WJQCNHPIIGWFNS-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)C(C)(C)C)C1 ZINC001027464638 800798527 /nfs/dbraw/zinc/79/85/27/800798527.db2.gz HUFFTMRYLWCDLP-HUUCEWRRSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2occc2Cl)C1 ZINC001027560492 800803044 /nfs/dbraw/zinc/80/30/44/800803044.db2.gz AVACCIWBEKIRJT-GFCCVEGCSA-N 1 1 296.798 3.046 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@@H]([N@@H+](C)CC3CCC3)C2)C1 ZINC001027566624 800803708 /nfs/dbraw/zinc/80/37/08/800803708.db2.gz KGHSDZVMZYFOGA-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001027563514 800803902 /nfs/dbraw/zinc/80/39/02/800803902.db2.gz BIPIUFQGMOEKEE-RBSFLKMASA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001027563514 800803904 /nfs/dbraw/zinc/80/39/04/800803904.db2.gz BIPIUFQGMOEKEE-RBSFLKMASA-N 1 1 298.858 3.098 20 30 CGEDMO C=Cc1ccc(C(=O)N2CCC[C@H]([N@@H+](C)CC(=C)C)C2)cc1 ZINC001027588064 800806161 /nfs/dbraw/zinc/80/61/61/800806161.db2.gz SSKULWKHBICTKH-SFHVURJKSA-N 1 1 298.430 3.442 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C2(CC)CCCC2)C1 ZINC001027636109 800808233 /nfs/dbraw/zinc/80/82/33/800808233.db2.gz WRPGUMUWFXNMEE-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2sccc2CC)C1 ZINC001027692490 800811740 /nfs/dbraw/zinc/81/17/40/800811740.db2.gz KQQWTHBQNLXJDN-CQSZACIVSA-N 1 1 292.448 3.033 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1sc(C)cc1C ZINC001027909275 800826808 /nfs/dbraw/zinc/82/68/08/800826808.db2.gz NHAIUKNIJUCBKQ-AWEZNQCLSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC=CCCC1 ZINC001027966806 800828484 /nfs/dbraw/zinc/82/84/84/800828484.db2.gz LKFMGCKVDHQBBA-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001028021455 800828708 /nfs/dbraw/zinc/82/87/08/800828708.db2.gz RQCJIYLWZIHDGU-ARFHVFGLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@]12C[C@H]1CCCC2 ZINC001028126514 800834020 /nfs/dbraw/zinc/83/40/20/800834020.db2.gz LHKYICKWMWHUKV-JFIYKMOQSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Cl)cc1 ZINC001028276987 800837328 /nfs/dbraw/zinc/83/73/28/800837328.db2.gz QJXGYVDUTMMSHE-HNNXBMFYSA-N 1 1 292.810 3.110 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C(C)C)cc1 ZINC001028280915 800838176 /nfs/dbraw/zinc/83/81/76/800838176.db2.gz ZCTGTQPFWOUOOQ-GOSISDBHSA-N 1 1 298.430 3.028 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C)ccc1C ZINC001028286956 800840486 /nfs/dbraw/zinc/84/04/86/800840486.db2.gz GZLQRMNUUYVVOY-INIZCTEOSA-N 1 1 286.419 3.074 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([C@@H](C)CC)cc1 ZINC001028336331 800842959 /nfs/dbraw/zinc/84/29/59/800842959.db2.gz ATMVQICFXOZGKU-MAUKXSAKSA-N 1 1 298.430 3.028 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)C2CCCCCC2)C1 ZINC001028442996 800845517 /nfs/dbraw/zinc/84/55/17/800845517.db2.gz KLNVINNIBCFCDK-CQSZACIVSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)C2CCCCCC2)C1 ZINC001028442996 800845522 /nfs/dbraw/zinc/84/55/22/800845522.db2.gz KLNVINNIBCFCDK-CQSZACIVSA-N 1 1 298.858 3.147 20 30 CGEDMO C=CCC[NH+]1CC(NC(=O)c2ccc(CCCC)cc2)C1 ZINC001030638633 800894842 /nfs/dbraw/zinc/89/48/42/800894842.db2.gz HERQUMOGCAGSIR-UHFFFAOYSA-N 1 1 286.419 3.019 20 30 CGEDMO C=CCC[NH+]1CC(NC(=O)C[C@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC001031112368 800904331 /nfs/dbraw/zinc/90/43/31/800904331.db2.gz VDPGPDHLEURZJT-HUUCEWRRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)c2ccc3c(c2)CCC=C3)C1 ZINC001031267736 800907831 /nfs/dbraw/zinc/90/78/31/800907831.db2.gz SKADPGZRVSHBOX-UHFFFAOYSA-N 1 1 296.414 3.026 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C=C1CCCCC1 ZINC001032305125 800924534 /nfs/dbraw/zinc/92/45/34/800924534.db2.gz KOYLPYLFONDMEM-IRXDYDNUSA-N 1 1 288.435 3.128 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1C1CCC1 ZINC001032757721 800935443 /nfs/dbraw/zinc/93/54/43/800935443.db2.gz MPPDYATVFUCJRU-HOTGVXAUSA-N 1 1 296.414 3.039 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1C1CCC1 ZINC001032757721 800935448 /nfs/dbraw/zinc/93/54/48/800935448.db2.gz MPPDYATVFUCJRU-HOTGVXAUSA-N 1 1 296.414 3.039 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(C)c2)C1 ZINC001032878931 800943074 /nfs/dbraw/zinc/94/30/74/800943074.db2.gz BFDMZJUXMMDNAY-QGZVFWFLSA-N 1 1 286.419 3.108 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001033258429 800957917 /nfs/dbraw/zinc/95/79/17/800957917.db2.gz XSSJXJLHWSOEEG-ARFHVFGLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2c(C)cccc2C)C1 ZINC001033444622 800964047 /nfs/dbraw/zinc/96/40/47/800964047.db2.gz XSEGEKMMUZLUCK-INIZCTEOSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)CC2CCCCCC2)C1 ZINC001033458369 800966827 /nfs/dbraw/zinc/96/68/27/800966827.db2.gz PXUYHMIQGIYWRG-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Cl)cc2)C1 ZINC001033603285 800969023 /nfs/dbraw/zinc/96/90/23/800969023.db2.gz KLMRWHSVMMZJQH-OAHLLOKOSA-N 1 1 292.810 3.062 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3ccccc3o2)C1 ZINC001033639557 800971366 /nfs/dbraw/zinc/97/13/66/800971366.db2.gz INAUFYUGUUQWKF-OAHLLOKOSA-N 1 1 298.386 3.155 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001033695985 800974884 /nfs/dbraw/zinc/97/48/84/800974884.db2.gz GFNGYOMQUOWGAH-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccsc2C)C1 ZINC001033820160 800985882 /nfs/dbraw/zinc/98/58/82/800985882.db2.gz JWMPYKCSJNWIFS-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCC2(C)C)C1 ZINC001033928165 800989761 /nfs/dbraw/zinc/98/97/61/800989761.db2.gz WGMDUKWNECQZRY-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC23CCC3)C1 ZINC001033973498 800993895 /nfs/dbraw/zinc/99/38/95/800993895.db2.gz ZHJDIDVHBLFLAV-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@@H](NC(=O)CC2=CCCCC2)C1 ZINC001034132977 801008282 /nfs/dbraw/zinc/00/82/82/801008282.db2.gz LYLACNVWLYPIDP-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)C(C)=C2CCC2)C1 ZINC001034196143 801011951 /nfs/dbraw/zinc/01/19/51/801011951.db2.gz LFEOCSZIHYHSML-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@]2(C)CC=CCC2)C1 ZINC001034225135 801013334 /nfs/dbraw/zinc/01/33/34/801013334.db2.gz FGUSBTPBXAJIBD-SJLPKXTDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001034330192 801016205 /nfs/dbraw/zinc/01/62/05/801016205.db2.gz KFHCCEYFAPHYCZ-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)C2(C)CC=CC2)C1 ZINC001034376569 801021385 /nfs/dbraw/zinc/02/13/85/801021385.db2.gz OSUYBOVUMKFJCI-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2ccoc2CCC)C1 ZINC001034485931 801028326 /nfs/dbraw/zinc/02/83/26/801028326.db2.gz VAXSTZBVWMVJMC-AWEZNQCLSA-N 1 1 290.407 3.002 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2cccc(Cl)c2)C1 ZINC001034505313 801029403 /nfs/dbraw/zinc/02/94/03/801029403.db2.gz DUFVATLZLXQRBK-HNNXBMFYSA-N 1 1 292.810 3.110 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)C2(C)CCC(C)CC2)C1 ZINC001034547507 801033060 /nfs/dbraw/zinc/03/30/60/801033060.db2.gz RAOQHZMVGMEAOC-UPTPFMHGSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)C(C)(C)C)CC2 ZINC001035249846 801056972 /nfs/dbraw/zinc/05/69/72/801056972.db2.gz XMJUEIOYRMMSFU-UHFFFAOYSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCCC)C1 ZINC001036793790 801091318 /nfs/dbraw/zinc/09/13/18/801091318.db2.gz LEMQCCYJFATYBP-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2CN(C(=O)C3(CC)CCC3)CC[C@H]21 ZINC001036794966 801091967 /nfs/dbraw/zinc/09/19/67/801091967.db2.gz FMXOTWAFSKNRLK-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C2CCC2)cc1 ZINC001038316330 801124950 /nfs/dbraw/zinc/12/49/50/801124950.db2.gz RSECYSYFIVJHFT-GOSISDBHSA-N 1 1 298.430 3.334 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C2CCC2)cc1 ZINC001038316328 801125031 /nfs/dbraw/zinc/12/50/31/801125031.db2.gz RRJXAHKHQXLMQD-GOSISDBHSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)cccc1Cl ZINC001038675120 801130526 /nfs/dbraw/zinc/13/05/26/801130526.db2.gz WVCGETVJJDJGJG-CYBMUJFWSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1c(C)cccc1Cl ZINC001038675120 801130531 /nfs/dbraw/zinc/13/05/31/801130531.db2.gz WVCGETVJJDJGJG-CYBMUJFWSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(CCC)cc1 ZINC001038645870 801130933 /nfs/dbraw/zinc/13/09/33/801130933.db2.gz XLJZJFOQGALRAX-QGZVFWFLSA-N 1 1 286.419 3.019 20 30 CGEDMO C=Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2CCC(=C)C)cc1 ZINC001038729705 801132481 /nfs/dbraw/zinc/13/24/81/801132481.db2.gz OZRRRSXSRZGOQD-KRWDZBQOSA-N 1 1 284.403 3.100 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C2CC2)cc1 ZINC001039044285 801141756 /nfs/dbraw/zinc/14/17/56/801141756.db2.gz YAFPMIZVYGFBDC-GOSISDBHSA-N 1 1 298.430 3.334 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](C)CC)CC2)C1 ZINC001039105602 801148048 /nfs/dbraw/zinc/14/80/48/801148048.db2.gz XSXNNFKQCDXWTJ-RDJZCZTQSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C2CCC2)C1 ZINC001039178419 801150175 /nfs/dbraw/zinc/15/01/75/801150175.db2.gz PQUZFALIFYIMSD-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C(C)C)C1 ZINC001039190330 801151607 /nfs/dbraw/zinc/15/16/07/801151607.db2.gz LFPAPFVUOANIRR-SJORKVTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC(C)(C)C)C1 ZINC001039194265 801153005 /nfs/dbraw/zinc/15/30/05/801153005.db2.gz YBSLMHQBZZKEIU-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1CCCC1 ZINC001039327257 801157838 /nfs/dbraw/zinc/15/78/38/801157838.db2.gz GMHJDMDIBSLICN-SJORKVTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C1CC1 ZINC001039421625 801161283 /nfs/dbraw/zinc/16/12/83/801161283.db2.gz KXVYHKXXPHKLIW-CVEARBPZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(=C)C ZINC001039896069 801168440 /nfs/dbraw/zinc/16/84/40/801168440.db2.gz DDCTWZQXUYSQNI-SOLBZPMBSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(=C)C ZINC001039896069 801168443 /nfs/dbraw/zinc/16/84/43/801168443.db2.gz DDCTWZQXUYSQNI-SOLBZPMBSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)C3CCC3)C2)C1 ZINC001040035953 801169655 /nfs/dbraw/zinc/16/96/55/801169655.db2.gz ZIAWRZZIYJDDCQ-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C)C(C)(C)C)C2)C1 ZINC001040263736 801175172 /nfs/dbraw/zinc/17/51/72/801175172.db2.gz HRTGQEYVKJDJLR-YJBOKZPZSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C)C(C)C)C2)C1 ZINC001040426812 801178234 /nfs/dbraw/zinc/17/82/34/801178234.db2.gz YOPVLEPYTMWMTR-FUHWJXTLSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccccc3C)C2)C1 ZINC001041033776 801184390 /nfs/dbraw/zinc/18/43/90/801184390.db2.gz RKUKGKUZTZZFED-LJQANCHMSA-N 1 1 298.430 3.109 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)CC3CCCC3)C2)C1 ZINC001041033045 801184885 /nfs/dbraw/zinc/18/48/85/801184885.db2.gz LJCVCVCBWGJYIP-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)c3ccccc3)C2)C1 ZINC001041025252 801185200 /nfs/dbraw/zinc/18/52/00/801185200.db2.gz AKJJJAVXZNJGSR-IBGZPJMESA-N 1 1 298.430 3.191 20 30 CGEDMO C=C1CCC(C(=O)N2CC[C@]3(CC[N@H+](C(C)C)C3)C2)CC1 ZINC001041636406 801192083 /nfs/dbraw/zinc/19/20/83/801192083.db2.gz RBDFOKYMILLYIP-SFHVURJKSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C(F)=C(C)C)C[C@@H]21 ZINC001042004688 801200978 /nfs/dbraw/zinc/20/09/78/801200978.db2.gz CQPPVYFOAWUDFV-GJZGRUSLSA-N 1 1 294.414 3.139 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)C(C)(C)C)C[C@@H]21 ZINC001042181257 801202287 /nfs/dbraw/zinc/20/22/87/801202287.db2.gz FNAYGNDMEGLEOK-CABCVRRESA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)C(CC)(CC)CC)C[C@@H]21 ZINC001042290530 801203507 /nfs/dbraw/zinc/20/35/07/801203507.db2.gz PVTGHBYFQYDMGL-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[NH+]1CC(N(C)C(=O)c2coc3c2cccc3C)C1 ZINC001042934707 801215244 /nfs/dbraw/zinc/21/52/44/801215244.db2.gz MACWIBHQDDQALO-UHFFFAOYSA-N 1 1 298.386 3.074 20 30 CGEDMO CCOC1CCC([N@H+](CCC#N)Cc2cccnc2)CC1 ZINC001256437391 806897917 /nfs/dbraw/zinc/89/79/17/806897917.db2.gz ZGWSRELQWYVRDU-UHFFFAOYSA-N 1 1 287.407 3.145 20 30 CGEDMO CCOC1CCC([N@@H+](CCC#N)Cc2cccnc2)CC1 ZINC001256437391 806897921 /nfs/dbraw/zinc/89/79/21/806897921.db2.gz ZGWSRELQWYVRDU-UHFFFAOYSA-N 1 1 287.407 3.145 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC001045787366 801286683 /nfs/dbraw/zinc/28/66/83/801286683.db2.gz NGUMFQSCSYRJJC-KGLIPLIRSA-N 1 1 298.858 3.239 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC)C2 ZINC001045900999 801290109 /nfs/dbraw/zinc/29/01/09/801290109.db2.gz CPHFXRDAIIURQH-QGZVFWFLSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2sc(C)cc2C)C1 ZINC001046356009 801310435 /nfs/dbraw/zinc/31/04/35/801310435.db2.gz RTAOEZPYSSWYLE-MRXNPFEDSA-N 1 1 292.448 3.135 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001046604003 801315897 /nfs/dbraw/zinc/31/58/97/801315897.db2.gz FWWBGRDLDGNAES-MAUKXSAKSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C)c(Cl)c2)C1 ZINC001046599310 801317318 /nfs/dbraw/zinc/31/73/18/801317318.db2.gz VCOWSKDBFJJBGD-INIZCTEOSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2coc3ccccc23)C1 ZINC001046877152 801332316 /nfs/dbraw/zinc/33/23/16/801332316.db2.gz NYRNRPKMKQKIOM-SFHVURJKSA-N 1 1 298.386 3.203 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC(C)C ZINC001049292266 801360972 /nfs/dbraw/zinc/36/09/72/801360972.db2.gz MAXHFNCXIYHXBQ-JKSUJKDBSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CCCCC1 ZINC001049303144 801363262 /nfs/dbraw/zinc/36/32/62/801363262.db2.gz QTRNBXMKWKCZCA-IRXDYDNUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)C(C)C ZINC001049504319 801375597 /nfs/dbraw/zinc/37/55/97/801375597.db2.gz JTYOMYSBFXSECL-JKSUJKDBSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C=C)cc1 ZINC001049743464 801386376 /nfs/dbraw/zinc/38/63/76/801386376.db2.gz PWQBQIQRSUXLAP-ZWKOTPCHSA-N 1 1 296.414 3.195 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@](C)(C=C)CC ZINC001049700576 801386718 /nfs/dbraw/zinc/38/67/18/801386718.db2.gz XHDMGBCHJKDBHB-JFIYKMOQSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(C(C)C)CC1 ZINC001049702457 801387127 /nfs/dbraw/zinc/38/71/27/801387127.db2.gz LPYUWYPXIOVARY-JKSUJKDBSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(C)c1C ZINC001049876164 801391953 /nfs/dbraw/zinc/39/19/53/801391953.db2.gz OLXARIRCICERRV-MSOLQXFVSA-N 1 1 298.430 3.168 20 30 CGEDMO CC(=O)C=C(C)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256521600 806908805 /nfs/dbraw/zinc/90/88/05/806908805.db2.gz APNZKVROCTUVKT-SSEPWQBHSA-N 1 1 286.419 3.122 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)CC2CCCC2)CC1 ZINC001052165961 801422222 /nfs/dbraw/zinc/42/22/22/801422222.db2.gz WQGPJPXHNMFGFE-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)C2CCCCC2)CC1 ZINC001052165132 801422746 /nfs/dbraw/zinc/42/27/46/801422746.db2.gz IDBHGCCIOXHRDZ-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2ccsc2)CC1 ZINC001052179319 801423797 /nfs/dbraw/zinc/42/37/97/801423797.db2.gz GGRHGPUGDVGENB-HNNXBMFYSA-N 1 1 292.448 3.299 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)CC2CCC2)CC1 ZINC001052276585 801428186 /nfs/dbraw/zinc/42/81/86/801428186.db2.gz HBXUUDVTGMOVLM-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C2(F)CCCC2)CC1 ZINC001052509934 801436370 /nfs/dbraw/zinc/43/63/70/801436370.db2.gz SEGFTWXXPLBTPX-HNNXBMFYSA-N 1 1 296.430 3.206 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC23CC3)CC1 ZINC001052486909 801436602 /nfs/dbraw/zinc/43/66/02/801436602.db2.gz QNONSCKNQMKPAF-CVEARBPZSA-N 1 1 290.451 3.114 20 30 CGEDMO CC(=O)C=C(C)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256521602 806909948 /nfs/dbraw/zinc/90/99/48/806909948.db2.gz APNZKVROCTUVKT-ZZVGLVNZSA-N 1 1 286.419 3.122 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C2(C3CC3)CCC2)CC1 ZINC001052596440 801438917 /nfs/dbraw/zinc/43/89/17/801438917.db2.gz IKXQXMCYFHTWEA-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CC=CCC2)CC1 ZINC001052628382 801440552 /nfs/dbraw/zinc/44/05/52/801440552.db2.gz XYHNEQUILVVEMI-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@]2(C)C=CCC2)CC1 ZINC001052631029 801442870 /nfs/dbraw/zinc/44/28/70/801442870.db2.gz MKZJRWIRLNLQCL-WMZOPIPTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](C[C@@H](F)CC)CC2)C1 ZINC001052693685 801449270 /nfs/dbraw/zinc/44/92/70/801449270.db2.gz XFMDZQYQFRSOJS-GJZGRUSLSA-N 1 1 296.430 3.062 20 30 CGEDMO C[C@H]1C[C@H](N2CCC(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256536199 806911164 /nfs/dbraw/zinc/91/11/64/806911164.db2.gz FYBDGMJENBQCHJ-QFBILLFUSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@H]1C[C@H](N2CCC(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256536199 806911168 /nfs/dbraw/zinc/91/11/68/806911168.db2.gz FYBDGMJENBQCHJ-QFBILLFUSA-N 1 1 297.446 3.275 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)C2CCCC2)CC1 ZINC001052859213 801453161 /nfs/dbraw/zinc/45/31/61/801453161.db2.gz JILYQEYMVUKBEF-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)C2CCC=CCC2)CC1 ZINC001052944210 801458013 /nfs/dbraw/zinc/45/80/13/801458013.db2.gz UELXLALVBCFPCU-KRWDZBQOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCC)C2)C1 ZINC001052998585 801460698 /nfs/dbraw/zinc/46/06/98/801460698.db2.gz ACINPEFGDMRPBB-IRXDYDNUSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC(C)C)C2)C1 ZINC001053005592 801462707 /nfs/dbraw/zinc/46/27/07/801462707.db2.gz PGXSQCIJAQREHK-SJORKVTESA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C2CC2)C1 ZINC001053057163 801463328 /nfs/dbraw/zinc/46/33/28/801463328.db2.gz HVFGHXVTYYPYRC-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC)C1 ZINC001053056121 801464464 /nfs/dbraw/zinc/46/44/64/801464464.db2.gz BHNDPVOVILZZHM-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C(C)(C)F)C1 ZINC001053063783 801465685 /nfs/dbraw/zinc/46/56/85/801465685.db2.gz RAQOKMLBGSVBOQ-HUUCEWRRSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC1CCC1)C2 ZINC001054112082 801475324 /nfs/dbraw/zinc/47/53/24/801475324.db2.gz IQZDGGWPTAVMAJ-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1(CC)CC1)C2 ZINC001054192375 801479530 /nfs/dbraw/zinc/47/95/30/801479530.db2.gz WDVOFDZLPFSUSQ-KRWDZBQOSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)c3ccoc3C)cc2C1 ZINC001054255169 801482676 /nfs/dbraw/zinc/48/26/76/801482676.db2.gz FSVHIXGXPKNSBJ-UHFFFAOYSA-N 1 1 296.370 3.020 20 30 CGEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)c3ccoc3C)cc2C1 ZINC001054255169 801482682 /nfs/dbraw/zinc/48/26/82/801482682.db2.gz FSVHIXGXPKNSBJ-UHFFFAOYSA-N 1 1 296.370 3.020 20 30 CGEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@]3(C)CC)cc2C1 ZINC001054288397 801484584 /nfs/dbraw/zinc/48/45/84/801484584.db2.gz VLAFRZCFSPRIOP-HKUYNNGSSA-N 1 1 298.430 3.241 20 30 CGEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@]3(C)CC)cc2C1 ZINC001054288397 801484587 /nfs/dbraw/zinc/48/45/87/801484587.db2.gz VLAFRZCFSPRIOP-HKUYNNGSSA-N 1 1 298.430 3.241 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2cccc(C)c2)CC[C@@H]1C ZINC001071316883 801526685 /nfs/dbraw/zinc/52/66/85/801526685.db2.gz LDAYIWYBUKSHKJ-DOTOQJQBSA-N 1 1 286.419 3.154 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2oc(C)cc2C)CC[C@H]1C ZINC001071398737 801534846 /nfs/dbraw/zinc/53/48/46/801534846.db2.gz IRCPNJXKGMVEOH-HIFRSBDPSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C2=CCCCCC2)CC[C@H]1C ZINC001071457196 801537176 /nfs/dbraw/zinc/53/71/76/801537176.db2.gz GTEHFQVDQZZBAM-WBVHZDCISA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)c2ccoc2CC)CC[C@@H]1C ZINC001071473237 801539330 /nfs/dbraw/zinc/53/93/30/801539330.db2.gz HZXWTRAZUCIUDI-UONOGXRCSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2sccc2F)CC[C@H]1C ZINC001071491147 801541547 /nfs/dbraw/zinc/54/15/47/801541547.db2.gz XHRBQOSPJIECGB-NEPJUHHUSA-N 1 1 296.411 3.046 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)sc2C)CC[C@H]1C ZINC001071660213 801544583 /nfs/dbraw/zinc/54/45/83/801544583.db2.gz RTNCIWZOYARJIW-RISCZKNCSA-N 1 1 292.448 3.134 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C2(F)CCCCC2)CC[C@@H]1C ZINC001071963744 801558031 /nfs/dbraw/zinc/55/80/31/801558031.db2.gz IIHQJVBPRGCAJW-GJZGRUSLSA-N 1 1 296.430 3.204 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2cc(C)cc(C)c2)CC[C@@H]1C ZINC001072027067 801560629 /nfs/dbraw/zinc/56/06/29/801560629.db2.gz SVIWOCFNQIJISU-DOTOQJQBSA-N 1 1 286.419 3.072 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@H](C)C(C)(C)C)C2)C1 ZINC001072854307 801574540 /nfs/dbraw/zinc/57/45/40/801574540.db2.gz JGLHDFQEEMNNNP-HNNXBMFYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CC[N@@H+](CCC(C)C)C2 ZINC001072951403 801574626 /nfs/dbraw/zinc/57/46/26/801574626.db2.gz BYBXBBASGZPLSC-KRWDZBQOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CCC2(CN(C(=O)C(CC)(CC)CC)C2)C1 ZINC001073082233 801576442 /nfs/dbraw/zinc/57/64/42/801576442.db2.gz MXEJHWMFXRDBAD-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C)c(C)c3)[C@@H]2C1 ZINC001076526703 801619486 /nfs/dbraw/zinc/61/94/86/801619486.db2.gz WHJWUXIBLAGIQA-ZWKOTPCHSA-N 1 1 298.430 3.026 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2C(C)C)C1 ZINC001079809979 801647118 /nfs/dbraw/zinc/64/71/18/801647118.db2.gz IXUGMWKZWHCZHD-RHSMWYFYSA-N 1 1 286.419 3.046 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(Cl)s2)C1 ZINC001080889639 801656021 /nfs/dbraw/zinc/65/60/21/801656021.db2.gz NFEAREKSWFTULJ-GHMZBOCLSA-N 1 1 298.839 3.028 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001080984355 801656245 /nfs/dbraw/zinc/65/62/45/801656245.db2.gz QNKPWTQDSIQHEL-JFIYKMOQSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C3CCCCCC3)[C@@H]2C1 ZINC001084222335 801665349 /nfs/dbraw/zinc/66/53/49/801665349.db2.gz UNPSISXJRPYHCO-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)C(C)C)C[C@@H]21 ZINC001085048056 801674459 /nfs/dbraw/zinc/67/44/59/801674459.db2.gz BQFSRRDRVDIPOR-BBWFWOEESA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1C(C)(C)C1(C)C ZINC001085536636 801691638 /nfs/dbraw/zinc/69/16/38/801691638.db2.gz GKWGKGKDWBHVHO-AWEZNQCLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC(C)(C)C1 ZINC001085804367 801705302 /nfs/dbraw/zinc/70/53/02/801705302.db2.gz HQTKNHRTJNRDFK-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2sccc2C)[C@H]1CC ZINC001087488859 801749213 /nfs/dbraw/zinc/74/92/13/801749213.db2.gz WVERCQBLDAVBKJ-UONOGXRCSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC=CCC2)[C@H]1CC ZINC001087500608 801752860 /nfs/dbraw/zinc/75/28/60/801752860.db2.gz RSVCNHBYCHBVLZ-SOUVJXGZSA-N 1 1 296.842 3.064 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC=CCC2)[C@H]1CC ZINC001087500608 801752868 /nfs/dbraw/zinc/75/28/68/801752868.db2.gz RSVCNHBYCHBVLZ-SOUVJXGZSA-N 1 1 296.842 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)CC2CCCCC2)[C@H]1CC ZINC001087495818 801753343 /nfs/dbraw/zinc/75/33/43/801753343.db2.gz YGWYPSHKRRXXTQ-JKSUJKDBSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC3(CC3)C2)[C@H]1CC ZINC001087569424 801757457 /nfs/dbraw/zinc/75/74/57/801757457.db2.gz VJXGITXJFHWNEQ-OWCLPIDISA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)=C2CCC2)[C@H]1CC ZINC001087568569 801757602 /nfs/dbraw/zinc/75/76/02/801757602.db2.gz YXGDYFCKACEQJE-JKSUJKDBSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C2CCCC2)[C@H]1CC ZINC001087605142 801760407 /nfs/dbraw/zinc/76/04/07/801760407.db2.gz JEXOHDWEJYDSBE-JKSUJKDBSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C2CCC2)[C@H]1CC ZINC001087675544 801762500 /nfs/dbraw/zinc/76/25/00/801762500.db2.gz RLQLCNTZXODVRD-JKSUJKDBSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCC2(C)C)[C@H]1CC ZINC001087843311 801771826 /nfs/dbraw/zinc/77/18/26/801771826.db2.gz PYFXSXOMRGTQJV-OWCLPIDISA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)[C@H]1C ZINC001088869054 801811668 /nfs/dbraw/zinc/81/16/68/801811668.db2.gz MXPFZYXNSBOYHH-VQHPVUNQSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CC[C@H](C)C2(C)C)[C@H]1C ZINC001088899776 801812826 /nfs/dbraw/zinc/81/28/26/801812826.db2.gz ZHPBXALBIDRERO-KRXQYRFLSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C3CC3)s2)[C@H]1C ZINC001088979377 801814595 /nfs/dbraw/zinc/81/45/95/801814595.db2.gz KTGXUYFUWDPYDT-YPMHNXCESA-N 1 1 290.432 3.004 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cccc(Cl)c2)[C@H]1C ZINC001088998667 801816159 /nfs/dbraw/zinc/81/61/59/801816159.db2.gz JGPANDQROIHVCR-DOMZBBRYSA-N 1 1 292.810 3.109 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCC2(C)C)[C@H]1C ZINC001089067392 801819297 /nfs/dbraw/zinc/81/92/97/801819297.db2.gz FGHCYIKQSYVGTD-OAGGEKHMSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC2(C)C)CC(C)(C)C1 ZINC001089464926 801840322 /nfs/dbraw/zinc/84/03/22/801840322.db2.gz MFGUWDGJZQRDPZ-LSDHHAIUSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2CCC)CC(C)(C)C1 ZINC001089487457 801841465 /nfs/dbraw/zinc/84/14/65/801841465.db2.gz LKGSNMGUYIEVQR-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C)CC(C)(C)C1 ZINC001089546490 801842899 /nfs/dbraw/zinc/84/28/99/801842899.db2.gz SUQSGYKDZXEYEN-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CC(C)C1 ZINC001089627344 801846788 /nfs/dbraw/zinc/84/67/88/801846788.db2.gz XHTMVIABHXLKBO-UYSNPLJNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)CC)C[C@]2(C)C1 ZINC001091964322 801859323 /nfs/dbraw/zinc/85/93/23/801859323.db2.gz ZCXDCYFVEONNLX-QAPCUYQASA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)C3CCC3)CCC[C@@H]12 ZINC001094347347 801871191 /nfs/dbraw/zinc/87/11/91/801871191.db2.gz MLMWNTQDMJVLNL-SJLPKXTDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C)CCC(C)CC1)C2 ZINC001096635995 801890768 /nfs/dbraw/zinc/89/07/68/801890768.db2.gz BVVNEZABSIXYNC-PLQZLIEUSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)F ZINC001098856209 801917796 /nfs/dbraw/zinc/91/77/96/801917796.db2.gz VIAIWAXSNRSQIR-CQSZACIVSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC1CC1 ZINC001098862153 801919039 /nfs/dbraw/zinc/91/90/39/801919039.db2.gz NDNVJHJSWTUUAD-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC(C)C ZINC001098893849 801920955 /nfs/dbraw/zinc/92/09/55/801920955.db2.gz BIYQKZGCDVYJHW-INIZCTEOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC1(C)CC1 ZINC001099149114 801930460 /nfs/dbraw/zinc/93/04/60/801930460.db2.gz PMGRPTRFLLCGRJ-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](F)C(C)C ZINC001099189469 801931963 /nfs/dbraw/zinc/93/19/63/801931963.db2.gz SACNGSGHMLHKOK-GJZGRUSLSA-N 1 1 298.446 3.163 20 30 CGEDMO C=CCCC(=O)N1C[C@H]2C[N@H+](CCCC(C)C)C[C@@]2(C)C1 ZINC001101167436 801973821 /nfs/dbraw/zinc/97/38/21/801973821.db2.gz DSCOXQSRDBFGND-AEFFLSMTSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)CC(C)=C(C)C)C[C@]2(C)C1 ZINC001101327239 801975390 /nfs/dbraw/zinc/97/53/90/801975390.db2.gz TWGOKUHITRXZCK-AEFFLSMTSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101384878 801977306 /nfs/dbraw/zinc/97/73/06/801977306.db2.gz WKPIRXQPVZLFOY-DAYGRLMNSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)C(C)C)[C@H](C)C1 ZINC001101733325 801989685 /nfs/dbraw/zinc/98/96/85/801989685.db2.gz CTTSWGPMBZBYGU-HZPDHXFCSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@H](C)CCCC)[C@H](C)C1 ZINC001101932311 801996248 /nfs/dbraw/zinc/99/62/48/801996248.db2.gz MPFWVRRWZHZABP-BZUAXINKSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CCC(=C)C)[C@H](C)C1 ZINC001102011569 801998554 /nfs/dbraw/zinc/99/85/54/801998554.db2.gz FQTKRXIIJVEUJN-IXDOHACOSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)CC(=C)C)[C@H](C)C1 ZINC001102261056 802002411 /nfs/dbraw/zinc/00/24/11/802002411.db2.gz MJARQNDLNRWUHJ-GVDBMIGSSA-N 1 1 292.467 3.239 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2CCC)[C@H](C)C1 ZINC001102342583 802007494 /nfs/dbraw/zinc/00/74/94/802007494.db2.gz ODGPXMZYNIRZMN-QBPKDAKJSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@H](CC)CCC)[C@H](C)C1 ZINC001102485233 802009874 /nfs/dbraw/zinc/00/98/74/802009874.db2.gz MCDSUYFURVWVLW-BZUAXINKSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)C2CCCC2)[C@H](C)C1 ZINC001102507029 802010704 /nfs/dbraw/zinc/01/07/04/802010704.db2.gz MLIWUPFMUTYONQ-BFYDXBDKSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H](CC)CCCCC)[C@H](C)C1 ZINC001102591295 802014135 /nfs/dbraw/zinc/01/41/35/802014135.db2.gz DOPGYMHNNUJYPV-BRWVUGGUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CCCC2)C1 ZINC001102633541 802014368 /nfs/dbraw/zinc/01/43/68/802014368.db2.gz XRKDKFDRZOFRCA-NVXWUHKLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC(C)(C)C)C1 ZINC001102667615 802017910 /nfs/dbraw/zinc/01/79/10/802017910.db2.gz LNTPIPXVMRVVMV-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC(C)(C)C)C1 ZINC001102667589 802018495 /nfs/dbraw/zinc/01/84/95/802018495.db2.gz KMXANUOXAAESDH-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)CCC)C1 ZINC001102789507 802019495 /nfs/dbraw/zinc/01/94/95/802019495.db2.gz FHDXTIDLQADCMN-BZUAXINKSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCCC(=O)NCC[C@@H]1C[N@@H+](C[C@H](F)CC)C[C@H]1C ZINC001103382587 802032269 /nfs/dbraw/zinc/03/22/69/802032269.db2.gz NKZJNJJJSXFWMG-BZUAXINKSA-N 1 1 298.446 3.165 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)CCC)C1 ZINC001103387426 802033201 /nfs/dbraw/zinc/03/32/01/802033201.db2.gz YNPSZELVDXLASE-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(CC)CCCC2)C1 ZINC001103594319 802036596 /nfs/dbraw/zinc/03/65/96/802036596.db2.gz LANRGMJEFBFWDI-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(C)=O)CC1 ZINC001105383318 802057169 /nfs/dbraw/zinc/05/71/69/802057169.db2.gz WPUUEDHDCGMOHH-QGZVFWFLSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC)CC2 ZINC001107419345 802087461 /nfs/dbraw/zinc/08/74/61/802087461.db2.gz RVIPLWVQGUXXNE-CRAIPNDOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(C)C ZINC001109340497 802114741 /nfs/dbraw/zinc/11/47/41/802114741.db2.gz QVALFPWWSCRTMP-PMPSAXMXSA-N 1 1 290.451 3.276 20 30 CGEDMO CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](F)CC)C2 ZINC001109609650 802118315 /nfs/dbraw/zinc/11/83/15/802118315.db2.gz FVAUIEIUBJHLQF-UGUYLWEFSA-N 1 1 298.446 3.426 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(C)=C(C)C)C2 ZINC001109613871 802118734 /nfs/dbraw/zinc/11/87/34/802118734.db2.gz VUYKBZLPYHDXCQ-IKGGRYGDSA-N 1 1 290.451 3.421 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC1CC1)C2 ZINC001109630447 802120749 /nfs/dbraw/zinc/12/07/49/802120749.db2.gz FCEPUYCPQDRMLY-IKGGRYGDSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)CC(=C)C)C2 ZINC001109634287 802121504 /nfs/dbraw/zinc/12/15/04/802121504.db2.gz JIHAKIRPFICMMT-YVSFHVDLSA-N 1 1 290.451 3.276 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC ZINC001109634271 802121631 /nfs/dbraw/zinc/12/16/31/802121631.db2.gz ITOGERXRCYTRMR-WCVJEAGWSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C)CC(=C)C1)C2 ZINC001109697218 802122830 /nfs/dbraw/zinc/12/28/30/802122830.db2.gz VUQNNVABHJCTJW-PMPSAXMXSA-N 1 1 288.435 3.030 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C\Cl ZINC001109678849 802123566 /nfs/dbraw/zinc/12/35/66/802123566.db2.gz JWNKAOKJVSQGND-IFCWBNKWSA-N 1 1 296.842 3.063 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C/C=C\Cl ZINC001109678849 802123572 /nfs/dbraw/zinc/12/35/72/802123572.db2.gz JWNKAOKJVSQGND-IFCWBNKWSA-N 1 1 296.842 3.063 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](CC)C(C)C)C2 ZINC001110004576 802128780 /nfs/dbraw/zinc/12/87/80/802128780.db2.gz QMEBSVCTSQTVOS-YVSFHVDLSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)CC(C)C)C2 ZINC001109944593 802130299 /nfs/dbraw/zinc/13/02/99/802130299.db2.gz MODKGWUAKYMLEE-NCOADZHNSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC=CC1)C2 ZINC001110408846 802140560 /nfs/dbraw/zinc/14/05/60/802140560.db2.gz FNXXPIHWGSZNNY-DZUCGIPZSA-N 1 1 288.435 3.029 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(C)(C)C1CC1)C2 ZINC001110527906 802144960 /nfs/dbraw/zinc/14/49/60/802144960.db2.gz OYXGGSAZHLZDQU-OAGGEKHMSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C/Cl ZINC001110602337 802145948 /nfs/dbraw/zinc/14/59/48/802145948.db2.gz NFUZNSKLZXXOJN-BIHARUESSA-N 1 1 296.842 3.063 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C/C=C/Cl ZINC001110602337 802145951 /nfs/dbraw/zinc/14/59/51/802145951.db2.gz NFUZNSKLZXXOJN-BIHARUESSA-N 1 1 296.842 3.063 20 30 CGEDMO CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[C@@H]1C)C2 ZINC001110900791 802148000 /nfs/dbraw/zinc/14/80/00/802148000.db2.gz QNUCEBLKISUFNF-NNXHMXCWSA-N 1 1 292.467 3.334 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C/Cl ZINC001110934570 802150876 /nfs/dbraw/zinc/15/08/76/802150876.db2.gz IEMWBBVHGFNQCS-LDTSMOQBSA-N 1 1 296.842 3.063 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C/C=C/Cl ZINC001110934570 802150880 /nfs/dbraw/zinc/15/08/80/802150880.db2.gz IEMWBBVHGFNQCS-LDTSMOQBSA-N 1 1 296.842 3.063 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(C)C ZINC001110985380 802151758 /nfs/dbraw/zinc/15/17/58/802151758.db2.gz XEOVYZOSTZCVRV-CBZIJGRNSA-N 1 1 290.451 3.276 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](CC)C(C)C)C2 ZINC001111296645 802158846 /nfs/dbraw/zinc/15/88/46/802158846.db2.gz QMEBSVCTSQTVOS-HZMVEIRTSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C=C(C)C)C1 ZINC001111579051 802162500 /nfs/dbraw/zinc/16/25/00/802162500.db2.gz HDGBHNKFZYUTTI-RYRKJORJSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](C[C@H](F)CC)C2 ZINC001111859231 802170306 /nfs/dbraw/zinc/17/03/06/802170306.db2.gz VVFNXBDZSDYQML-UXLLHSPISA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC1(C(=O)N2CC[NH+](CC/C=C\CC)CC2)CCC1 ZINC001113312516 802215136 /nfs/dbraw/zinc/21/51/36/802215136.db2.gz AFVIFFNFJIMKMS-WAYWQWQTSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H]2C(NC(=O)/C(C)=C/CC)[C@@H]2C1 ZINC001113965233 802236102 /nfs/dbraw/zinc/23/61/02/802236102.db2.gz LCBICKYCBFJMFR-NZOZXDMSSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](C)CC(C)C)C[C@H]21 ZINC001114353466 802241554 /nfs/dbraw/zinc/24/15/54/802241554.db2.gz SGXZKAUBLMZEGD-LISAXSMJSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](CCCCCC)C[C@H]21 ZINC001114724092 802243606 /nfs/dbraw/zinc/24/36/06/802243606.db2.gz GEAHGZMYRSILJQ-NCOADZHNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)CC(C)(C)C ZINC001114930005 802248213 /nfs/dbraw/zinc/24/82/13/802248213.db2.gz PSGIUIRDJHDGFB-CAOSSQGBSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)CC(C)(C)C ZINC001114930008 802248486 /nfs/dbraw/zinc/24/84/86/802248486.db2.gz PSGIUIRDJHDGFB-WCVJEAGWSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@](C)(CC)CCC ZINC001115028073 802251128 /nfs/dbraw/zinc/25/11/28/802251128.db2.gz GWQOBPCJFRLXMB-NHIYQJMISA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@](C)(CC)CCC ZINC001115028073 802251132 /nfs/dbraw/zinc/25/11/32/802251132.db2.gz GWQOBPCJFRLXMB-NHIYQJMISA-N 1 1 298.858 3.002 20 30 CGEDMO C#CC[N@H+](Cc1cccc(OC(C)(C)C)n1)CC1CC1 ZINC001116440318 802348633 /nfs/dbraw/zinc/34/86/33/802348633.db2.gz QCTNARNVSMSVRJ-UHFFFAOYSA-N 1 1 272.392 3.104 20 30 CGEDMO N#CC1(C[N@@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)CC1 ZINC001116474829 802361010 /nfs/dbraw/zinc/36/10/10/802361010.db2.gz LMQBTCBUCJHPNZ-CYBMUJFWSA-N 1 1 280.375 3.046 20 30 CGEDMO N#CC1(C[N@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)CC1 ZINC001116474829 802361016 /nfs/dbraw/zinc/36/10/16/802361016.db2.gz LMQBTCBUCJHPNZ-CYBMUJFWSA-N 1 1 280.375 3.046 20 30 CGEDMO CC(C)COCC[C@H](C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC001172475289 808339980 /nfs/dbraw/zinc/33/99/80/808339980.db2.gz HOUJWMXLOCBUGF-GJZGRUSLSA-N 1 1 252.402 3.063 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001172490930 808349858 /nfs/dbraw/zinc/34/98/58/808349858.db2.gz ASXIBWFETLJMCF-GMTAPVOTSA-N 1 1 266.282 3.149 20 30 CGEDMO C[C@H](CCCC#N)[N@@H+](C)CCC(=O)c1ccccc1 ZINC001172502305 808358028 /nfs/dbraw/zinc/35/80/28/808358028.db2.gz UDHVQDSDWKOXTO-CQSZACIVSA-N 1 1 258.365 3.274 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1nc2c(s1)C[C@@H](C)CC2)C(C)(C)C ZINC001117645788 802473888 /nfs/dbraw/zinc/47/38/88/802473888.db2.gz MGLQNKAZOWXXPF-SMDDNHRTSA-N 1 1 276.449 3.405 20 30 CGEDMO C[C@H]1CCc2nc(C[N@@H+]3CCC[C@@H](CC#N)C3)sc2C1 ZINC001118587083 802587419 /nfs/dbraw/zinc/58/74/19/802587419.db2.gz FLZMPPYSBNGIED-STQMWFEESA-N 1 1 289.448 3.394 20 30 CGEDMO C[C@H]1CCc2nc(C[N@H+]3CCC[C@@H](CC#N)C3)sc2C1 ZINC001118587083 802587424 /nfs/dbraw/zinc/58/74/24/802587424.db2.gz FLZMPPYSBNGIED-STQMWFEESA-N 1 1 289.448 3.394 20 30 CGEDMO C#CC[N@H+](Cc1cccnc1C(F)(F)F)C1CCCC1 ZINC001118873987 802613759 /nfs/dbraw/zinc/61/37/59/802613759.db2.gz QBRCSPSUVOFRIT-UHFFFAOYSA-N 1 1 282.309 3.478 20 30 CGEDMO C[C@@H](CCc1ccccc1)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC001119450522 802667776 /nfs/dbraw/zinc/66/77/76/802667776.db2.gz RVRBPPSMYCVIRR-OKZBNKHCSA-N 1 1 299.462 3.173 20 30 CGEDMO N#CC1CCC(C[N@H+]2CC[C@H](Cc3ccncc3)C2)CC1 ZINC001119724864 802694809 /nfs/dbraw/zinc/69/48/09/802694809.db2.gz HYFAPTRXNSFITA-DAWZGUTISA-N 1 1 283.419 3.276 20 30 CGEDMO N#CC1CCC(C[N@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001119761197 802697990 /nfs/dbraw/zinc/69/79/90/802697990.db2.gz ZIGHBEDBYZPNTD-UHFFFAOYSA-N 1 1 285.347 3.240 20 30 CGEDMO N#CC1CCC(C[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001119761197 802697992 /nfs/dbraw/zinc/69/79/92/802697992.db2.gz ZIGHBEDBYZPNTD-UHFFFAOYSA-N 1 1 285.347 3.240 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)C[C@](O)(CC)C(F)(F)F ZINC001119776267 802699485 /nfs/dbraw/zinc/69/94/85/802699485.db2.gz JQADLWAUMHSTGZ-CYBMUJFWSA-N 1 1 291.313 3.014 20 30 CGEDMO Cc1cc(C#N)ccc1N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC001119943024 802712074 /nfs/dbraw/zinc/71/20/74/802712074.db2.gz JXMNXCLYEFUBNZ-MRXNPFEDSA-N 1 1 294.402 3.059 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC)C1 ZINC001120272766 802737517 /nfs/dbraw/zinc/73/75/17/802737517.db2.gz UQIYOQGBTDZEEF-HOTGVXAUSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCC)C1 ZINC001120289871 802738383 /nfs/dbraw/zinc/73/83/83/802738383.db2.gz IIHBEOVWHHDIAT-IRXDYDNUSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CCC(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC001120728572 802769242 /nfs/dbraw/zinc/76/92/42/802769242.db2.gz HYKCRXKIHJPJMI-UHFFFAOYSA-N 1 1 283.375 3.153 20 30 CGEDMO C=C[C@H](C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccccc1 ZINC001123923175 802982214 /nfs/dbraw/zinc/98/22/14/802982214.db2.gz AWMLCDSEESWGSA-OKZBNKHCSA-N 1 1 298.430 3.089 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](NC(=O)CC)CC[C@@H]1C ZINC001131736537 803338833 /nfs/dbraw/zinc/33/88/33/803338833.db2.gz ZKNWIXVIILFJSW-GJZGRUSLSA-N 1 1 268.445 3.336 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CC(C)(C)C)CC[C@H]1C ZINC001131839212 803349631 /nfs/dbraw/zinc/34/96/31/803349631.db2.gz OOSSQKQMLYISPU-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)C(C)=C2CCC2)CC[C@H]1C ZINC001132047392 803369993 /nfs/dbraw/zinc/36/99/93/803369993.db2.gz WVIQGDPBSZCNQY-RHSMWYFYSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CC[C@H](C)[N@H+](CC2CC2)C1 ZINC001132057228 803370222 /nfs/dbraw/zinc/37/02/22/803370222.db2.gz LLBVNMPHWMCMKA-YOEHRIQHSA-N 1 1 290.451 3.134 20 30 CGEDMO C#CC[N@@H+]1C[C@H](NC(=O)CCCCC(C)(C)C)CC[C@@H]1C ZINC001132058544 803370314 /nfs/dbraw/zinc/37/03/14/803370314.db2.gz ZJSJACDEPQRZIS-JKSUJKDBSA-N 1 1 292.467 3.195 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)/C=C(\C)CC)CC[C@@H]1C ZINC001132042440 803370368 /nfs/dbraw/zinc/37/03/68/803370368.db2.gz UVCHAIVUGUAATP-QNHDLBPPSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)CCCC#CC)CC[C@H]1C ZINC001132224833 803381034 /nfs/dbraw/zinc/38/10/34/803381034.db2.gz RAPOIQJZQYQNDK-SJORKVTESA-N 1 1 290.451 3.115 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)C2(C)CCC2)CC[C@@H]1C ZINC001132225591 803381669 /nfs/dbraw/zinc/38/16/69/803381669.db2.gz YXDKNNVBJYAGCY-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C#CCC[N@@H+]1C[C@H](NC(=O)C(C)(C)C(C)(C)C)CC[C@@H]1C ZINC001132241091 803385012 /nfs/dbraw/zinc/38/50/12/803385012.db2.gz QOGBZOFFXMKSHY-LSDHHAIUSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(C)(C)C)CC[C@@H]1C ZINC001132240544 803386043 /nfs/dbraw/zinc/38/60/43/803386043.db2.gz IPJDJWINZHIFEH-KBPBESRZSA-N 1 1 280.456 3.214 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C2(CCC)CC2)CC[C@H]1C ZINC001132273354 803390712 /nfs/dbraw/zinc/39/07/12/803390712.db2.gz FKXZKHKBFKGYJY-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)C2(CCCC)CC2)CC[C@H]1C ZINC001132278487 803391035 /nfs/dbraw/zinc/39/10/35/803391035.db2.gz PLYZJZSGQIJGPR-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@H+]1C[C@H](NC(=O)C(C)(C)CC)CC[C@@H]1C ZINC001132287865 803391968 /nfs/dbraw/zinc/39/19/68/803391968.db2.gz KMBBXTPTWLPXLH-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC1(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC3CC3)C2)CC1 ZINC001132292459 803393599 /nfs/dbraw/zinc/39/35/99/803393599.db2.gz RKHLGQZTAFJLAQ-HOCLYGCPSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@H+]1C[C@H](NC(=O)CC(CC)CC)CC[C@@H]1C ZINC001132391532 803399326 /nfs/dbraw/zinc/39/93/26/803399326.db2.gz BEMJAFQKZMJVEJ-GOEBONIOSA-N 1 1 280.456 3.358 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)o2)CC1 ZINC001137067728 803679138 /nfs/dbraw/zinc/67/91/38/803679138.db2.gz GHJNNBTXOPSAQR-CQSZACIVSA-N 1 1 273.380 3.005 20 30 CGEDMO Cc1cc(C)c(C[N@H+]2CCc3cc(C#N)ccc3C2)[nH]1 ZINC001137322674 803715460 /nfs/dbraw/zinc/71/54/60/803715460.db2.gz MSEFMHRROCSOCV-UHFFFAOYSA-N 1 1 265.360 3.062 20 30 CGEDMO CC(C)(C)c1ccc(C[N@H+]2CCC[C@H](CC#N)C2)[nH]1 ZINC001137376283 803724530 /nfs/dbraw/zinc/72/45/30/803724530.db2.gz CDIKJHAPMNOCME-CYBMUJFWSA-N 1 1 259.397 3.438 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Br)C1 ZINC001137548855 803739846 /nfs/dbraw/zinc/73/98/46/803739846.db2.gz JWPGWPOLUUGMCK-LLVKDONJSA-N 1 1 296.183 3.433 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Br)C1 ZINC001137548855 803739849 /nfs/dbraw/zinc/73/98/49/803739849.db2.gz JWPGWPOLUUGMCK-LLVKDONJSA-N 1 1 296.183 3.433 20 30 CGEDMO CCCCCCCCNC(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC001137583423 803742704 /nfs/dbraw/zinc/74/27/04/803742704.db2.gz IFVRDGJCROTUNW-MRXNPFEDSA-N 1 1 280.456 3.480 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cccc(-c3cncnc3)c2)C1 ZINC001137769031 803769562 /nfs/dbraw/zinc/76/95/62/803769562.db2.gz LOYYSJSSIBKXIH-OAHLLOKOSA-N 1 1 292.386 3.269 20 30 CGEDMO Cc1cccc(C)c1C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001137847730 803782955 /nfs/dbraw/zinc/78/29/55/803782955.db2.gz CORYCXQEWQVVON-HNNXBMFYSA-N 1 1 273.401 3.078 20 30 CGEDMO Cc1cccc(C)c1C[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001137847730 803782956 /nfs/dbraw/zinc/78/29/56/803782956.db2.gz CORYCXQEWQVVON-HNNXBMFYSA-N 1 1 273.401 3.078 20 30 CGEDMO Cc1cccc(C)c1C[N@H+]1CCC2SC(=O)C=C2C1 ZINC001137847730 803782959 /nfs/dbraw/zinc/78/29/59/803782959.db2.gz CORYCXQEWQVVON-HNNXBMFYSA-N 1 1 273.401 3.078 20 30 CGEDMO C=CC[NH+]1CCN(Cc2c(Cl)ccc(C)c2F)CC1 ZINC001138034777 803836257 /nfs/dbraw/zinc/83/62/57/803836257.db2.gz STOVWGSTYINZFF-UHFFFAOYSA-N 1 1 282.790 3.091 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1c(C)[nH]c(C(=O)OCC)c1C ZINC001138138902 803866323 /nfs/dbraw/zinc/86/63/23/803866323.db2.gz UOTZICZHJMJZEN-UHFFFAOYSA-N 1 1 278.396 3.206 20 30 CGEDMO CN(C)c1ccc(C[N@H+]2CCc3ccc(C#N)cc3C2)s1 ZINC001138489917 803951100 /nfs/dbraw/zinc/95/11/00/803951100.db2.gz WPTFQXLYUWXYGS-UHFFFAOYSA-N 1 1 297.427 3.244 20 30 CGEDMO Cc1nccn1-c1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC001138547139 803965357 /nfs/dbraw/zinc/96/53/57/803965357.db2.gz FXCGFPKDZQOCHK-INIZCTEOSA-N 1 1 294.402 3.306 20 30 CGEDMO Cc1cc(C[N@@H+]2CCC3SC(=O)C=C3C2)c(C)s1 ZINC001138570877 803971238 /nfs/dbraw/zinc/97/12/38/803971238.db2.gz ZPKHKVDRMHCROJ-ZDUSSCGKSA-N 1 1 279.430 3.139 20 30 CGEDMO Cc1cc(C[N@H+]2CCC3SC(=O)C=C3C2)c(C)s1 ZINC001138570877 803971240 /nfs/dbraw/zinc/97/12/40/803971240.db2.gz ZPKHKVDRMHCROJ-ZDUSSCGKSA-N 1 1 279.430 3.139 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CCC[C@](C)(O)[C@@H](C)C2)c1O ZINC001138625327 803982048 /nfs/dbraw/zinc/98/20/48/803982048.db2.gz JITMGFHHXZTURH-KSSFIOAISA-N 1 1 289.419 3.104 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2CC[C@@](C)(CF)C2)c1O ZINC001138625242 803983915 /nfs/dbraw/zinc/98/39/15/803983915.db2.gz IKHTUXRWYHWLHV-INIZCTEOSA-N 1 1 263.356 3.302 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CCc3ccncc3C2)c1O ZINC001138628592 803984834 /nfs/dbraw/zinc/98/48/34/803984834.db2.gz XXYHGYQMECFHAQ-UHFFFAOYSA-N 1 1 280.371 3.074 20 30 CGEDMO C=CCc1cccc(C[NH+]2CCN(C(C)(C)C)CC2)c1O ZINC001138627740 803986781 /nfs/dbraw/zinc/98/67/81/803986781.db2.gz FGGBSHHKGCZWCJ-UHFFFAOYSA-N 1 1 288.435 3.037 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+](C)Cc1cnn(C)c1 ZINC001138662994 803996198 /nfs/dbraw/zinc/99/61/98/803996198.db2.gz KKNDWVYTBKSLQD-UHFFFAOYSA-N 1 1 285.391 3.007 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+](C)Cc1cnn(C)c1 ZINC001138662994 803996206 /nfs/dbraw/zinc/99/62/06/803996206.db2.gz KKNDWVYTBKSLQD-UHFFFAOYSA-N 1 1 285.391 3.007 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)Cc1cnc(SC)nc1 ZINC001138710157 804011620 /nfs/dbraw/zinc/01/16/20/804011620.db2.gz YKACMIQSIWDYFY-UHFFFAOYSA-N 1 1 285.416 3.387 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cnc(SC)nc1 ZINC001138710157 804011629 /nfs/dbraw/zinc/01/16/29/804011629.db2.gz YKACMIQSIWDYFY-UHFFFAOYSA-N 1 1 285.416 3.387 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC001138882588 804062347 /nfs/dbraw/zinc/06/23/47/804062347.db2.gz KJOVLUBWMFCIPX-CYBMUJFWSA-N 1 1 298.365 3.341 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[NH2+][C@@H]1CCCNC1 ZINC001245975918 804091308 /nfs/dbraw/zinc/09/13/08/804091308.db2.gz ACPCKWBWARITIP-IAGOWNOFSA-N 1 1 284.488 3.220 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[NH2+][C@@H]1CCCNC1 ZINC001245975927 804091908 /nfs/dbraw/zinc/09/19/08/804091908.db2.gz ACPCKWBWARITIP-SJORKVTESA-N 1 1 284.488 3.220 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1N ZINC001245996495 804095666 /nfs/dbraw/zinc/09/56/66/804095666.db2.gz VQFMRDWWMMLTPP-YESZJQIVSA-N 1 1 284.488 3.348 20 30 CGEDMO C=CCCCCCC[C@H](O)CN1CCC2(CCC[NH2+]2)CC1 ZINC001246023454 804101099 /nfs/dbraw/zinc/10/10/99/804101099.db2.gz BZOFOQCMTGCYOC-KRWDZBQOSA-N 1 1 294.483 3.092 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCC(=O)[C@H](C)CC1 ZINC001139029367 804112469 /nfs/dbraw/zinc/11/24/69/804112469.db2.gz VUSWAMBZINXPTO-CQSZACIVSA-N 1 1 273.376 3.052 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCC(=O)[C@H](C)CC1 ZINC001139029367 804112472 /nfs/dbraw/zinc/11/24/72/804112472.db2.gz VUSWAMBZINXPTO-CQSZACIVSA-N 1 1 273.376 3.052 20 30 CGEDMO C=CCOc1ccccc1CN1CC[C@H]([N@H+](C)C(C)C)C1 ZINC001139030527 804114077 /nfs/dbraw/zinc/11/40/77/804114077.db2.gz PPLASPFSICPYBV-KRWDZBQOSA-N 1 1 288.435 3.166 20 30 CGEDMO C=CCOc1ccccc1C[NH+]1CC2(C1)C[C@H](F)CS2 ZINC001139029992 804114091 /nfs/dbraw/zinc/11/40/91/804114091.db2.gz APCRPQQLIIEDDR-AWEZNQCLSA-N 1 1 293.407 3.281 20 30 CGEDMO Cn1ccc2ccc(C[N@@H+]3[C@@H]4CC[C@H]3C[C@H](C#N)C4)cc21 ZINC001139206526 804162046 /nfs/dbraw/zinc/16/20/46/804162046.db2.gz DLPDPCRFQYINAY-XGBSXSJOSA-N 1 1 279.387 3.445 20 30 CGEDMO CCCCCCC[C@@H](CCC)[NH2+][C@H]1CN[C@@H]2CCO[C@@H]21 ZINC001246149706 804169618 /nfs/dbraw/zinc/16/96/18/804169618.db2.gz DYTLCCCUYFIYFR-NCOADZHNSA-N 1 1 282.472 3.235 20 30 CGEDMO CCCCCCC[C@@H](CCC)[NH2+]C[C@@]12CN[C@@H](CO1)C2 ZINC001246150281 804169642 /nfs/dbraw/zinc/16/96/42/804169642.db2.gz SWVQBPIPFCNKNQ-ZACQAIPSSA-N 1 1 282.472 3.236 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccccc1-n1cncn1 ZINC001139422248 804188602 /nfs/dbraw/zinc/18/86/02/804188602.db2.gz WYBPLFJVTFTAEA-UHFFFAOYSA-N 1 1 270.380 3.055 20 30 CGEDMO C=CC[NH+]1CCN(Cc2ccc(-c3ccccc3)nc2)CC1 ZINC001139517877 804199009 /nfs/dbraw/zinc/19/90/09/804199009.db2.gz DVFXSVIKAKLAFZ-UHFFFAOYSA-N 1 1 293.414 3.052 20 30 CGEDMO C=CCN1CC[NH+](Cc2ccc(-c3ccccc3)nc2)CC1 ZINC001139517877 804199012 /nfs/dbraw/zinc/19/90/12/804199012.db2.gz DVFXSVIKAKLAFZ-UHFFFAOYSA-N 1 1 293.414 3.052 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Cl)ccn1 ZINC001139566308 804211165 /nfs/dbraw/zinc/21/11/65/804211165.db2.gz WQFPNVZGBADJHZ-OJNYZHBWSA-N 1 1 261.756 3.002 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Cl)ccn1 ZINC001139566308 804211171 /nfs/dbraw/zinc/21/11/71/804211171.db2.gz WQFPNVZGBADJHZ-OJNYZHBWSA-N 1 1 261.756 3.002 20 30 CGEDMO CCCCCCCC[C@@H](CC)[NH2+]C[C@]1(O)CCCNC1 ZINC001246231056 804222892 /nfs/dbraw/zinc/22/28/92/804222892.db2.gz NWYVRMFXSPWTGS-SJORKVTESA-N 1 1 284.488 3.220 20 30 CGEDMO COc1cc(C[N@@H+]2CCC[C@@H](C#N)CC2)ccc1Cl ZINC001139614348 804228043 /nfs/dbraw/zinc/22/80/43/804228043.db2.gz AYELVWDLXQRRLC-GFCCVEGCSA-N 1 1 278.783 3.474 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@@H](C#N)CC2)ccc1Cl ZINC001139614348 804228052 /nfs/dbraw/zinc/22/80/52/804228052.db2.gz AYELVWDLXQRRLC-GFCCVEGCSA-N 1 1 278.783 3.474 20 30 CGEDMO N#C[C@H]1CC[N@H+](Cc2ccc(-c3cccnc3)cc2)C1 ZINC001139645078 804241429 /nfs/dbraw/zinc/24/14/29/804241429.db2.gz DUUZRWODSFZFNH-OAHLLOKOSA-N 1 1 263.344 3.094 20 30 CGEDMO N#C[C@H]1CC[N@@H+](Cc2ccc(-c3cccnc3)cc2)C1 ZINC001139645078 804241437 /nfs/dbraw/zinc/24/14/37/804241437.db2.gz DUUZRWODSFZFNH-OAHLLOKOSA-N 1 1 263.344 3.094 20 30 CGEDMO CO[C@H]1CC[N@H+](Cc2cccc(Cl)c2C#N)[C@@H](C)C1 ZINC001139693190 804257108 /nfs/dbraw/zinc/25/71/08/804257108.db2.gz SKLXIVGVNNUXPY-AAEUAGOBSA-N 1 1 278.783 3.211 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2cccc(Cl)c2C#N)[C@@H](C)C1 ZINC001139693190 804257115 /nfs/dbraw/zinc/25/71/15/804257115.db2.gz SKLXIVGVNNUXPY-AAEUAGOBSA-N 1 1 278.783 3.211 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@@H](COCC3CC3)C2)cc1C#N ZINC001139726108 804266696 /nfs/dbraw/zinc/26/66/96/804266696.db2.gz SFQKFTSCPHFTGK-QGZVFWFLSA-N 1 1 284.403 3.115 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@H](COCC3CC3)C2)cc1C#N ZINC001139726107 804267477 /nfs/dbraw/zinc/26/74/77/804267477.db2.gz SFQKFTSCPHFTGK-KRWDZBQOSA-N 1 1 284.403 3.115 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)cc1C#N ZINC001139722862 804267636 /nfs/dbraw/zinc/26/76/36/804267636.db2.gz JPWWMDYPFFWZKZ-SJORKVTESA-N 1 1 282.387 3.200 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)cc1C#N ZINC001139722862 804267641 /nfs/dbraw/zinc/26/76/41/804267641.db2.gz JPWWMDYPFFWZKZ-SJORKVTESA-N 1 1 282.387 3.200 20 30 CGEDMO Cc1ccc(C[N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)cc1C#N ZINC001139724204 804267728 /nfs/dbraw/zinc/26/77/28/804267728.db2.gz JLRRNKGAHVIVHB-GASCZTMLSA-N 1 1 276.330 3.344 20 30 CGEDMO CCCCCCCC[C@H](CCC)[NH2+][C@H]1CCNC[C@@H]1O ZINC001246314114 804275447 /nfs/dbraw/zinc/27/54/47/804275447.db2.gz VZLCZLKUCJGLOC-ULQDDVLXSA-N 1 1 284.488 3.218 20 30 CGEDMO C=CCn1cc(C[N@@H+]2CC[C@@H](Oc3ccccc3C)C2)cn1 ZINC001139770201 804278587 /nfs/dbraw/zinc/27/85/87/804278587.db2.gz HAROBMNKDJARAC-QGZVFWFLSA-N 1 1 297.402 3.031 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cc(Cl)ccc2F)no1 ZINC001212325454 815005409 /nfs/dbraw/zinc/00/54/09/815005409.db2.gz RNEWYPYAIRXIIM-LBPRGKRZSA-N 1 1 293.729 3.332 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccccc2Cl)no1 ZINC001212324983 815005727 /nfs/dbraw/zinc/00/57/27/815005727.db2.gz DPHQTVHLQYCDDB-LBPRGKRZSA-N 1 1 275.739 3.193 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)CCC1CCCCC1 ZINC001139865186 804299553 /nfs/dbraw/zinc/29/95/53/804299553.db2.gz ALLAALMHLULKEX-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO Cn1c(C[N@H+]2CCC[C@H](C#N)CC2)cc2ccccc21 ZINC001139871849 804302308 /nfs/dbraw/zinc/30/23/08/804302308.db2.gz UDTWJQFNWSJMAS-AWEZNQCLSA-N 1 1 267.376 3.304 20 30 CGEDMO COc1ccccc1CC[N@@H+](C)Cc1cc(F)cc(C#N)c1 ZINC001139875115 804305453 /nfs/dbraw/zinc/30/54/53/804305453.db2.gz GYRKVVKFQJNFFZ-UHFFFAOYSA-N 1 1 298.361 3.380 20 30 CGEDMO N#Cc1cc(F)cc(C[N@H+]2CC[C@@H](c3ccncc3)C2)c1 ZINC001139874589 804306375 /nfs/dbraw/zinc/30/63/75/804306375.db2.gz DJZHEZQQUHMXHV-MRXNPFEDSA-N 1 1 281.334 3.082 20 30 CGEDMO C#CC1(N[C@H]2CC[NH2+][C@H](c3ccccc3)C2)CCCCC1 ZINC001246461561 804341266 /nfs/dbraw/zinc/34/12/66/804341266.db2.gz DEMRDEVVLIOEHM-ROUUACIJSA-N 1 1 282.431 3.405 20 30 CGEDMO C[C@]1(F)CC[N@H+](Cc2c[nH]c3ccc(C#N)cc23)C[C@@H]1F ZINC001140111051 804379756 /nfs/dbraw/zinc/37/97/56/804379756.db2.gz XNYOUASYPTYLGL-HOTGVXAUSA-N 1 1 289.329 3.312 20 30 CGEDMO C[C@]1(F)CC[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)C[C@@H]1F ZINC001140111051 804379766 /nfs/dbraw/zinc/37/97/66/804379766.db2.gz XNYOUASYPTYLGL-HOTGVXAUSA-N 1 1 289.329 3.312 20 30 CGEDMO Cc1ccc(C)c(C[N@H+]2CCC[C@H](C#N)CC2)c1O ZINC001140182771 804395990 /nfs/dbraw/zinc/39/59/90/804395990.db2.gz ZTRSMNBIFKSNMI-AWEZNQCLSA-N 1 1 258.365 3.135 20 30 CGEDMO N#Cc1ccc(C2CCC([N@H+]3CCCC[C@@H](N)C3)CC2)cc1 ZINC001246557812 804406794 /nfs/dbraw/zinc/40/67/94/804406794.db2.gz IETGFGZHSOWMIP-JLAWEPINSA-N 1 1 297.446 3.398 20 30 CGEDMO N#Cc1ccc(C2CCC(N3CCCC[C@@H]([NH3+])C3)CC2)cc1 ZINC001246557812 804406804 /nfs/dbraw/zinc/40/68/04/804406804.db2.gz IETGFGZHSOWMIP-JLAWEPINSA-N 1 1 297.446 3.398 20 30 CGEDMO CCCCCCCCC[C@@H](C)[N@@H+](C)C[C@@H]1CNCCO1 ZINC001246562196 804411388 /nfs/dbraw/zinc/41/13/88/804411388.db2.gz YYHVRJCHUSWLFA-SJORKVTESA-N 1 1 284.488 3.436 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140467565 804444207 /nfs/dbraw/zinc/44/42/07/804444207.db2.gz XRVDLEWOCITFEQ-NSHDSACASA-N 1 1 264.756 3.171 20 30 CGEDMO CCCCCCCC[C@@H](CCC)[N@H+]1CCNC[C@@H]1CO ZINC001246700275 804499437 /nfs/dbraw/zinc/49/94/37/804499437.db2.gz PHUKRCDQWISORV-IAGOWNOFSA-N 1 1 284.488 3.172 20 30 CGEDMO N#Cc1c(F)cc(C[N@H+]2CC[C@H](c3ccccn3)C2)cc1F ZINC001140754112 804506325 /nfs/dbraw/zinc/50/63/25/804506325.db2.gz PEAGVFAQDWWBGM-ZDUSSCGKSA-N 1 1 299.324 3.221 20 30 CGEDMO C[C@@]1(CF)CC[N@@H+](Cc2cccc(C#N)c2Cl)C1 ZINC001140808707 804525691 /nfs/dbraw/zinc/52/56/91/804525691.db2.gz YMKMKDBNAWJOSC-AWEZNQCLSA-N 1 1 266.747 3.393 20 30 CGEDMO CCC1CCC([NH2+]C2CCC(C#N)CC2)(C(=O)OC)CC1 ZINC001256960103 807016072 /nfs/dbraw/zinc/01/60/72/807016072.db2.gz ZNGGDHPBYCBOJI-UHFFFAOYSA-N 1 1 292.423 3.170 20 30 CGEDMO C#CC[N@H+](C)Cc1cccn1-c1ccc(Cl)cc1 ZINC001140941621 804554152 /nfs/dbraw/zinc/55/41/52/804554152.db2.gz OYFPVYLXEQVCKW-UHFFFAOYSA-N 1 1 258.752 3.196 20 30 CGEDMO Cc1ccc(C[N@H+]2CCc3cc(C#N)ccc3C2)c(O)c1 ZINC001140948172 804556112 /nfs/dbraw/zinc/55/61/12/804556112.db2.gz WKCOPAFVJBLZKK-UHFFFAOYSA-N 1 1 278.355 3.131 20 30 CGEDMO N#CC1CCC([NH+]2CC(Oc3ccc(F)c(F)c3)C2)CC1 ZINC001256968464 807019128 /nfs/dbraw/zinc/01/91/28/807019128.db2.gz GINVUAMYSITDDU-UHFFFAOYSA-N 1 1 292.329 3.110 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1cccc(-c2ncccn2)c1 ZINC001140980259 804562187 /nfs/dbraw/zinc/56/21/87/804562187.db2.gz RPHHUGICWCGFQL-UHFFFAOYSA-N 1 1 280.375 3.269 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1cccc(-c2ncccn2)c1 ZINC001140980259 804562192 /nfs/dbraw/zinc/56/21/92/804562192.db2.gz RPHHUGICWCGFQL-UHFFFAOYSA-N 1 1 280.375 3.269 20 30 CGEDMO CC1([NH+]2CCCC2)CCN(C2CCC(C#N)CC2)CC1 ZINC001256972352 807021568 /nfs/dbraw/zinc/02/15/68/807021568.db2.gz WSECHVDCRKZSPS-UHFFFAOYSA-N 1 1 275.440 3.019 20 30 CGEDMO CCCCCCCC[C@H](CC)[N@H+]1CCN[C@@H](CCO)C1 ZINC001246878108 804576883 /nfs/dbraw/zinc/57/68/83/804576883.db2.gz YTWRJJUXPJLRIS-IRXDYDNUSA-N 1 1 284.488 3.172 20 30 CGEDMO CCCCCCCC[C@H](CC)N1CC[NH2+][C@@H](CCO)C1 ZINC001246878108 804576886 /nfs/dbraw/zinc/57/68/86/804576886.db2.gz YTWRJJUXPJLRIS-IRXDYDNUSA-N 1 1 284.488 3.172 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CCNC[C@H]1c1ccc(F)cc1 ZINC001246887469 804582091 /nfs/dbraw/zinc/58/20/91/804582091.db2.gz OXDGSYAKIBSOKV-CJNGLKHVSA-N 1 1 262.372 3.127 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCNC[C@H]1c1ccc(F)cc1 ZINC001246887469 804582097 /nfs/dbraw/zinc/58/20/97/804582097.db2.gz OXDGSYAKIBSOKV-CJNGLKHVSA-N 1 1 262.372 3.127 20 30 CGEDMO CCCC[N@@H+](C)Cc1sc(N)c(C#N)c1Cl ZINC001141110162 804591679 /nfs/dbraw/zinc/59/16/79/804591679.db2.gz ZNVORJCFJMOQDW-UHFFFAOYSA-N 1 1 257.790 3.087 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2sc(N)c(C#N)c2Cl)[C@@H](C)C1 ZINC001141114287 804591805 /nfs/dbraw/zinc/59/18/05/804591805.db2.gz KRLCAICYIVSMOC-BDAKNGLRSA-N 1 1 283.828 3.476 20 30 CGEDMO C[N@@H+](Cc1sc(N)c(C#N)c1Cl)CC(C)(C)C ZINC001141112197 804592497 /nfs/dbraw/zinc/59/24/97/804592497.db2.gz SKPXPAUCZQDJJR-UHFFFAOYSA-N 1 1 271.817 3.333 20 30 CGEDMO CCCCCCCC[C@H](CC)[N@H+]1CC[C@@](N)(C(=O)OC)C1 ZINC001246924005 804603727 /nfs/dbraw/zinc/60/37/27/804603727.db2.gz LBODVGSRMDNKPS-RDJZCZTQSA-N 1 1 298.471 3.092 20 30 CGEDMO N#Cc1ccc(C2CCC([N@H+]3C[C@@H]4CC[C@H]3CN4)CC2)cc1 ZINC001246942176 804612231 /nfs/dbraw/zinc/61/22/31/804612231.db2.gz FGLBONXDRIZRSM-JEVOJNTISA-N 1 1 295.430 3.021 20 30 CGEDMO N#Cc1ccc(C2CCC(N3C[C@@H]4CC[C@H]3C[NH2+]4)CC2)cc1 ZINC001246942176 804612235 /nfs/dbraw/zinc/61/22/35/804612235.db2.gz FGLBONXDRIZRSM-JEVOJNTISA-N 1 1 295.430 3.021 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1cccc(N(C)C)c1 ZINC001141264211 804625360 /nfs/dbraw/zinc/62/53/60/804625360.db2.gz YKLROZWNPAUTOZ-UHFFFAOYSA-N 1 1 259.397 3.268 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1cccc(N(C)C)c1 ZINC001141264211 804625365 /nfs/dbraw/zinc/62/53/65/804625365.db2.gz YKLROZWNPAUTOZ-UHFFFAOYSA-N 1 1 259.397 3.268 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cc(F)cc2c1OCOC2 ZINC001141400049 804638514 /nfs/dbraw/zinc/63/85/14/804638514.db2.gz JPYRHRKRDCHNMN-UHFFFAOYSA-N 1 1 279.355 3.480 20 30 CGEDMO C[N@H+](Cc1cc(Br)ccc1C#N)CC1CC1 ZINC001141894895 804678336 /nfs/dbraw/zinc/67/83/36/804678336.db2.gz UQLNLGHAMMVZSJ-UHFFFAOYSA-N 1 1 279.181 3.163 20 30 CGEDMO CC(C)[C@@H]([NH3+])c1nc(-c2ccc(C#N)c3ccccc23)no1 ZINC001247499711 804752882 /nfs/dbraw/zinc/75/28/82/804752882.db2.gz VTPMRYSPIFODBA-OAHLLOKOSA-N 1 1 292.342 3.417 20 30 CGEDMO N#C[C@@H]1CCC[N@H+]([C@@H]2CCO[C@H](c3ccccc3)C2)C1 ZINC001256820632 806985689 /nfs/dbraw/zinc/98/56/89/806985689.db2.gz KGDNYGDLSITQPP-UAGQMJEPSA-N 1 1 270.376 3.142 20 30 CGEDMO C#CC[C@@H]([NH3+])c1nc(-c2ccc(Cl)cc2Cl)no1 ZINC001247610328 804779891 /nfs/dbraw/zinc/77/98/91/804779891.db2.gz XXERKOORWIWFFX-SNVBAGLBSA-N 1 1 282.130 3.067 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2cc(C)ccc2F)no1 ZINC001247621902 804781491 /nfs/dbraw/zinc/78/14/91/804781491.db2.gz BCYHOQIWIBJWBU-LBPRGKRZSA-N 1 1 261.300 3.150 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cc(C)ccc2F)no1 ZINC001247621898 804781866 /nfs/dbraw/zinc/78/18/66/804781866.db2.gz BCYHOQIWIBJWBU-GFCCVEGCSA-N 1 1 261.300 3.150 20 30 CGEDMO N#Cc1ccc2c(C[N@H+]3CC[C@H]4CCCO[C@@H]4C3)c[nH]c2c1 ZINC001142915407 804783003 /nfs/dbraw/zinc/78/30/03/804783003.db2.gz ACWGUFBBFYCZFD-RDTXWAMCSA-N 1 1 295.386 3.040 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2ccc(C(F)(F)F)cn2)no1 ZINC001247622550 804783501 /nfs/dbraw/zinc/78/35/01/804783501.db2.gz NGIBDCBLQJMODC-SECBINFHSA-N 1 1 298.268 3.116 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2ccc(OC)c(Cl)c2)no1 ZINC001247622001 804783690 /nfs/dbraw/zinc/78/36/90/804783690.db2.gz CPMTUWHDAMPMOJ-NSHDSACASA-N 1 1 293.754 3.365 20 30 CGEDMO N#Cc1ccc2c(C[N@H+]3CC[C@H]4OCCC[C@H]4C3)c[nH]c2c1 ZINC001142912004 804783682 /nfs/dbraw/zinc/78/36/82/804783682.db2.gz RGDQAZQWQPUSSV-KBXCAEBGSA-N 1 1 295.386 3.040 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cc(C(C)(C)C)ccn2)no1 ZINC001247624331 804785188 /nfs/dbraw/zinc/78/51/88/804785188.db2.gz RBOAKTLSRWOQFL-GFCCVEGCSA-N 1 1 286.379 3.395 20 30 CGEDMO COc1cc(C)c(C[N@H+]2CCC[C@H](CC#N)C2)c(C)c1 ZINC001142935184 804787705 /nfs/dbraw/zinc/78/77/05/804787705.db2.gz SFUQSWXVWIAMLX-OAHLLOKOSA-N 1 1 272.392 3.438 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2ccccc2OC(F)(F)F)no1 ZINC001247966620 804858830 /nfs/dbraw/zinc/85/88/30/804858830.db2.gz BJUPKVZJKGYWNH-VIFPVBQESA-N 1 1 299.252 3.211 20 30 CGEDMO CC[N@@H+](C)C1CCN(Cc2c(Cl)cccc2C#N)CC1 ZINC001143732756 804888908 /nfs/dbraw/zinc/88/89/08/804888908.db2.gz UJYCEIUROJHVCY-UHFFFAOYSA-N 1 1 291.826 3.128 20 30 CGEDMO CO[C@H]1CC[N@H+](Cc2c(Cl)cccc2C#N)[C@@H](C)C1 ZINC001143734390 804889068 /nfs/dbraw/zinc/88/90/68/804889068.db2.gz MLYFJDDSYLTNNV-AAEUAGOBSA-N 1 1 278.783 3.211 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2c(Cl)cccc2C#N)[C@@H](C)C1 ZINC001143734390 804889073 /nfs/dbraw/zinc/88/90/73/804889073.db2.gz MLYFJDDSYLTNNV-AAEUAGOBSA-N 1 1 278.783 3.211 20 30 CGEDMO CC[N@@H+](CCc1ccc(OC)cc1)Cc1cncc(C#N)c1 ZINC001144084865 804935579 /nfs/dbraw/zinc/93/55/79/804935579.db2.gz QGOKQZSCHBDGSR-UHFFFAOYSA-N 1 1 295.386 3.026 20 30 CGEDMO CCc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)cc(CC)c1O ZINC001144149632 804945057 /nfs/dbraw/zinc/94/50/57/804945057.db2.gz LHSPCZDIMFATFY-KRWDZBQOSA-N 1 1 272.392 3.253 20 30 CGEDMO CCc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)cc(CC)c1O ZINC001144149632 804945060 /nfs/dbraw/zinc/94/50/60/804945060.db2.gz LHSPCZDIMFATFY-KRWDZBQOSA-N 1 1 272.392 3.253 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+](CC)C1CCOCC1 ZINC001248750990 804983889 /nfs/dbraw/zinc/98/38/89/804983889.db2.gz FLEWCVWVXIBEPR-UHFFFAOYSA-N 1 1 272.392 3.122 20 30 CGEDMO C=CC[N@H+](Cc1c(O)cc(O)cc1O)C1CCCCC1 ZINC001144515855 804997980 /nfs/dbraw/zinc/99/79/80/804997980.db2.gz HDAGQDDZTKXQHL-UHFFFAOYSA-N 1 1 277.364 3.124 20 30 CGEDMO C#Cc1ccc(C[N@H+]2Cc3ccc(OC)cc3C2)cc1 ZINC001144573778 805008389 /nfs/dbraw/zinc/00/83/89/805008389.db2.gz QQHFAPCFVMLRLH-UHFFFAOYSA-N 1 1 263.340 3.192 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2Cc3ccc(OC)cc3C2)cc1 ZINC001144573778 805008395 /nfs/dbraw/zinc/00/83/95/805008395.db2.gz QQHFAPCFVMLRLH-UHFFFAOYSA-N 1 1 263.340 3.192 20 30 CGEDMO C=CC[N@@H+](Cc1cnn2ccc(Cl)nc12)C(C)(C)C ZINC001248879051 805031714 /nfs/dbraw/zinc/03/17/14/805031714.db2.gz DTWQZIQTRVXBOD-UHFFFAOYSA-N 1 1 278.787 3.169 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2cccc3cc[nH]c32)CC1 ZINC001144717535 805038049 /nfs/dbraw/zinc/03/80/49/805038049.db2.gz WKCFTWIETSDPKN-CYBMUJFWSA-N 1 1 253.349 3.294 20 30 CGEDMO C=CCCC1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CCCC1 ZINC001166528948 807048332 /nfs/dbraw/zinc/04/83/32/807048332.db2.gz PBXGFSIUAKPDMT-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO CCCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@@H]3C)C2)C1 ZINC001146927552 805097959 /nfs/dbraw/zinc/09/79/59/805097959.db2.gz DLZHLKVIFRDJSV-JKSUJKDBSA-N 1 1 292.467 3.147 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C)CC)C2)C1 ZINC001147006159 805103012 /nfs/dbraw/zinc/10/30/12/805103012.db2.gz VFKGIMPRXAPEKK-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC(=O)N1CC2(C1)CC[N@H+](CC/C=C\CCC)C2 ZINC001147166038 805113228 /nfs/dbraw/zinc/11/32/28/805113228.db2.gz QEKWJZBKMDIMCC-FPLPWBNLSA-N 1 1 290.451 3.233 20 30 CGEDMO C/C=C(/C)C(=O)N1CC2(C1)CC[N@H+](CCCCCCC)C2 ZINC001147311353 805120531 /nfs/dbraw/zinc/12/05/31/805120531.db2.gz MCEWFHARXYSVSP-BNCCVWRVSA-N 1 1 292.467 3.457 20 30 CGEDMO N#Cc1ccc2cc(C[N@H+]3CC[C@@H]4CCCO[C@H]4C3)[nH]c2c1 ZINC001249426712 805146926 /nfs/dbraw/zinc/14/69/26/805146926.db2.gz DBTINCKJNZAILM-KSSFIOAISA-N 1 1 295.386 3.040 20 30 CGEDMO CC[C@@H]1CC[N@@H+](Cc2cc3ccc(C#N)cc3[nH]2)C1 ZINC001249431189 805147882 /nfs/dbraw/zinc/14/78/82/805147882.db2.gz XIPBJNOWKBMDCF-GFCCVEGCSA-N 1 1 253.349 3.271 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H](C)[C@@H](C)CC)C2)C1 ZINC001148502283 805192001 /nfs/dbraw/zinc/19/20/01/805192001.db2.gz WXOOIEHEANJDRO-JKSUJKDBSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CCC2(CN(C(=O)C[C@@H](C)C(C)(C)C)C2)C1 ZINC001148672893 805204569 /nfs/dbraw/zinc/20/45/69/805204569.db2.gz OTLYMHJXISDIQJ-OAHLLOKOSA-N 1 1 292.467 3.169 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)c1F ZINC001249681671 805209726 /nfs/dbraw/zinc/20/97/26/805209726.db2.gz ZRSYUHYXVQBWPV-BETUJISGSA-N 1 1 280.293 3.174 20 30 CGEDMO COc1cccc(CC[N@@H+](C)Cc2cccc(C#N)c2F)c1 ZINC001249688084 805213868 /nfs/dbraw/zinc/21/38/68/805213868.db2.gz YNVLIKSJGAUGNN-UHFFFAOYSA-N 1 1 298.361 3.380 20 30 CGEDMO CCc1cc(C#N)ccc1Nc1c[nH+]c(N)c(C)c1 ZINC001249787050 805244989 /nfs/dbraw/zinc/24/49/89/805244989.db2.gz FMGIFPMNVWZPFJ-UHFFFAOYSA-N 1 1 252.321 3.150 20 30 CGEDMO Cc1cc(Nc2cc(F)c(F)c(C#N)c2F)c[nH+]c1N ZINC001249794026 805251817 /nfs/dbraw/zinc/25/18/17/805251817.db2.gz GMMIWFKROZRWJO-UHFFFAOYSA-N 1 1 278.237 3.005 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)/C=C\c1ccco1 ZINC001151597510 805298894 /nfs/dbraw/zinc/29/88/94/805298894.db2.gz MFOWGBZBVCWTRM-WHLNPGIBSA-N 1 1 290.407 3.086 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)CCC ZINC001152460894 805350887 /nfs/dbraw/zinc/35/08/87/805350887.db2.gz WNKBSBYWTWMSNT-LSDHHAIUSA-N 1 1 268.445 3.215 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)CCc1ccoc1 ZINC001152666777 805361491 /nfs/dbraw/zinc/36/14/91/805361491.db2.gz XZXKPURIOGMAOQ-OAHLLOKOSA-N 1 1 292.423 3.005 20 30 CGEDMO C#CCCCCC(=O)NC[C@@H](C)[N@@H+](CC)CC1CC(C)C1 ZINC001152842267 805371780 /nfs/dbraw/zinc/37/17/80/805371780.db2.gz UEYFJKIDRIHQLU-AQFXKWCLSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@H](CC)CC(F)F ZINC001153783768 805414886 /nfs/dbraw/zinc/41/48/86/805414886.db2.gz PTCAOERNSKLHJA-CHWSQXEVSA-N 1 1 290.398 3.071 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)CC1CC(C)C1 ZINC001154588894 805464620 /nfs/dbraw/zinc/46/46/20/805464620.db2.gz QVQJVNSCPUXTKO-HWOWSKLDSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)CC[C@@H](C)F ZINC001154584671 805464725 /nfs/dbraw/zinc/46/47/25/805464725.db2.gz SFTQUAMTIXIKKD-ZIAGYGMSSA-N 1 1 286.435 3.163 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)CC1CCCC1 ZINC001154605311 805465969 /nfs/dbraw/zinc/46/59/69/805465969.db2.gz DJROICRTTNXUPR-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](F)CC ZINC001154656436 805474115 /nfs/dbraw/zinc/47/41/15/805474115.db2.gz HOWHVBMOKVBQTI-HUUCEWRRSA-N 1 1 286.435 3.308 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)CC1CCC1 ZINC001154751010 805482381 /nfs/dbraw/zinc/48/23/81/805482381.db2.gz IULNLTHDOUYWLN-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1ccc2[nH]ccc2c1 ZINC001154932370 805509940 /nfs/dbraw/zinc/50/99/40/805509940.db2.gz DUNCJHSLLIJJII-CQSZACIVSA-N 1 1 299.418 3.184 20 30 CGEDMO C=CCCCC(=O)NC[C@@H](C)[N@H+](CC)C[C@@H](C)CC ZINC001154927913 805510324 /nfs/dbraw/zinc/51/03/24/805510324.db2.gz SECGWXQVOMFZMS-LSDHHAIUSA-N 1 1 268.445 3.215 20 30 CGEDMO Cc1[nH+]c2ccccn2c1Nc1ccccc1OCC#N ZINC001212597330 815081750 /nfs/dbraw/zinc/08/17/50/815081750.db2.gz OPGYXCNLDLJUPN-UHFFFAOYSA-N 1 1 278.315 3.289 20 30 CGEDMO C#CCCCNc1[nH+]cnc2c1ccn2Cc1ccccc1 ZINC001155014212 805522162 /nfs/dbraw/zinc/52/21/62/805522162.db2.gz QTAZIWBTQSLCIS-UHFFFAOYSA-N 1 1 290.370 3.305 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)C1(C(C)C)CC1 ZINC001155142270 805543717 /nfs/dbraw/zinc/54/37/17/805543717.db2.gz VRPBPGROQFPYKD-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO Cc1ccn2c(CNc3ccc(CC#N)c(C)[nH+]3)cnc2c1 ZINC001155281912 805567720 /nfs/dbraw/zinc/56/77/20/805567720.db2.gz RXUHQBYONQGFOU-UHFFFAOYSA-N 1 1 291.358 3.024 20 30 CGEDMO C[N@H+]1CCc2ccc(Nc3ccccc3OCC#N)cc2C1 ZINC001212603721 815083072 /nfs/dbraw/zinc/08/30/72/815083072.db2.gz NUOBPJUQCAPYKH-UHFFFAOYSA-N 1 1 293.370 3.320 20 30 CGEDMO CC(C)(C)OC(=O)[C@@H]1CCCC[N@H+]1C1CCC(C#N)CC1 ZINC001256969837 807020172 /nfs/dbraw/zinc/02/01/72/807020172.db2.gz QDIFSQADPOEQAZ-NRXISQOPSA-N 1 1 292.423 3.265 20 30 CGEDMO N#Cc1ccc(C2CCC([N@H+]3CCCOCC3)CC2)cc1 ZINC001257016200 807027935 /nfs/dbraw/zinc/02/79/35/807027935.db2.gz XZUXEVZDDGAJTN-UHFFFAOYSA-N 1 1 284.403 3.307 20 30 CGEDMO C[C@H]1C[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)CC[C@@H]1O ZINC001257016686 807028303 /nfs/dbraw/zinc/02/83/03/807028303.db2.gz HRHCWKUFTYLWKH-QKHJWGRCSA-N 1 1 298.430 3.287 20 30 CGEDMO N#Cc1ccc(C2CCC([N@H+]3CCCC34COC4)CC2)cc1 ZINC001257021562 807028764 /nfs/dbraw/zinc/02/87/64/807028764.db2.gz WGBIEIXZNJIOGC-UHFFFAOYSA-N 1 1 296.414 3.449 20 30 CGEDMO COc1ccc2c[nH+]c(N3CCC[C@@H](CC#N)C3)cc2c1 ZINC001166742130 807089630 /nfs/dbraw/zinc/08/96/30/807089630.db2.gz BIQMAUILYWBEEG-ZDUSSCGKSA-N 1 1 281.359 3.373 20 30 CGEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+]([C@@H](C)CCC)C2 ZINC001257316442 807103375 /nfs/dbraw/zinc/10/33/75/807103375.db2.gz DJKVIRXIOYLLGB-DOTOQJQBSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](C1CCCC1)C2 ZINC001257349894 807117305 /nfs/dbraw/zinc/11/73/05/807117305.db2.gz FIMWOCZYLIOHSD-DLBZAZTESA-N 1 1 279.424 3.003 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)CCC)C1 ZINC001167263701 807172073 /nfs/dbraw/zinc/17/20/73/807172073.db2.gz CFZWAZGLZVGQNW-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC001167433800 807192328 /nfs/dbraw/zinc/19/23/28/807192328.db2.gz MFQYGFSEQUAVDS-HOCLYGCPSA-N 1 1 259.368 3.492 20 30 CGEDMO CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(C)cc(C#N)cc1C ZINC001167633986 807221437 /nfs/dbraw/zinc/22/14/37/807221437.db2.gz HENWFAMCDCSHQG-MSOLQXFVSA-N 1 1 297.446 3.234 20 30 CGEDMO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1c(C)cc(C#N)cc1C ZINC001167633986 807221445 /nfs/dbraw/zinc/22/14/45/807221445.db2.gz HENWFAMCDCSHQG-MSOLQXFVSA-N 1 1 297.446 3.234 20 30 CGEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1c(C)cc(C#N)cc1C ZINC001167633986 807221450 /nfs/dbraw/zinc/22/14/50/807221450.db2.gz HENWFAMCDCSHQG-MSOLQXFVSA-N 1 1 297.446 3.234 20 30 CGEDMO C=C1C[C@@H]2CC([NH2+][C@H]3CCCN(C)CC3)C[C@H](C1)C2 ZINC001257886406 807237996 /nfs/dbraw/zinc/23/79/96/807237996.db2.gz DTOGCCKSRZXHSX-TVXGVJEUSA-N 1 1 262.441 3.195 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+](CCC)CCOC)C[C@H](C1)C2 ZINC001257889968 807241208 /nfs/dbraw/zinc/24/12/08/807241208.db2.gz PFNAZYJOQGJYJQ-XYPWUTKMSA-N 1 1 251.414 3.480 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CC(F)(F)C[C@]3(C)CO)C[C@H](C1)C2 ZINC001257891913 807242281 /nfs/dbraw/zinc/24/22/81/807242281.db2.gz QRJSCAVSNBDBRE-IZGVIRRGSA-N 1 1 285.378 3.213 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3[C@@H](C(=O)OC)[C@@H]4CC[C@H]3C4)C[C@H](C1)C2 ZINC001257893992 807244394 /nfs/dbraw/zinc/24/43/94/807244394.db2.gz HQQLQEICWBSKFQ-FEGGEPFGSA-N 1 1 289.419 3.147 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CCC[C@H]3C(=O)OCC)C[C@H](C1)C2 ZINC001257895554 807245559 /nfs/dbraw/zinc/24/55/59/807245559.db2.gz SZVAEDRTBJKAAY-QXULXFAOSA-N 1 1 277.408 3.149 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1CCC[C@@]2(CCNC2=O)C1 ZINC001258043290 807274476 /nfs/dbraw/zinc/27/44/76/807274476.db2.gz AZZRQYISLWXJCQ-NVXWUHKLSA-N 1 1 280.456 3.338 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CCC2(C1)OCCO2 ZINC001258047536 807275504 /nfs/dbraw/zinc/27/55/04/807275504.db2.gz LUCNBZWQPGZYHJ-AWEZNQCLSA-N 1 1 255.402 3.184 20 30 CGEDMO C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@H](C)CCC=C(C)C)C1 ZINC001258098691 807308146 /nfs/dbraw/zinc/30/81/46/807308146.db2.gz ZRZXDIXLLTUDNY-HZPDHXFCSA-N 1 1 294.439 3.498 20 30 CGEDMO N#CC[C@H]1CCC[N@H+]([C@H]2CCc3cc(F)ccc3C2)C1 ZINC001168441799 807415373 /nfs/dbraw/zinc/41/53/73/807415373.db2.gz QTJHGAMMYABNFU-DYVFJYSZSA-N 1 1 272.367 3.309 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001168440578 807416398 /nfs/dbraw/zinc/41/63/98/807416398.db2.gz JOWRSEWQAVPYSK-SUMWQHHRSA-N 1 1 257.352 3.028 20 30 CGEDMO C=CCc1cc(C)c[nH+]c1NCCOc1cccnc1 ZINC001168611269 807455898 /nfs/dbraw/zinc/45/58/98/807455898.db2.gz XKZJVLVBIYJLIN-UHFFFAOYSA-N 1 1 269.348 3.004 20 30 CGEDMO CC[C@H](c1ccncc1)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC001168910635 807537885 /nfs/dbraw/zinc/53/78/85/807537885.db2.gz CEVARAJZPBHBII-QZTJIDSGSA-N 1 1 295.386 3.070 20 30 CGEDMO CCCCCCCC[N@@H+](CCN)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168987264 807547263 /nfs/dbraw/zinc/54/72/63/807547263.db2.gz HUCJHZRNDITPMM-HZPDHXFCSA-N 1 1 299.459 3.053 20 30 CGEDMO CCCCCCC[C@H](CC(C)C)[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC001258714132 807565766 /nfs/dbraw/zinc/56/57/66/807565766.db2.gz JASJMGGRVVNQMY-KSZLIROESA-N 1 1 299.499 3.437 20 30 CGEDMO C=CCC[C@@H](C)[NH2+]C1(C(=O)OC)CCC(CC)CC1 ZINC001258721065 807568801 /nfs/dbraw/zinc/56/88/01/807568801.db2.gz LZUDSDNMYIILDQ-VQCLRJIVSA-N 1 1 267.413 3.443 20 30 CGEDMO C=CCC[C@H](C)[NH2+][C@@H](CC1CCCCC1)C(=O)OC ZINC001258720221 807569084 /nfs/dbraw/zinc/56/90/84/807569084.db2.gz UWXVMCHUACLQMZ-ZFWWWQNUSA-N 1 1 267.413 3.443 20 30 CGEDMO C=CCC[C@H](C)[NH+]1CCC(N)(c2cccc(OC)c2)CC1 ZINC001258724135 807572224 /nfs/dbraw/zinc/57/22/24/807572224.db2.gz OBFDECDMZWYYAH-HNNXBMFYSA-N 1 1 288.435 3.300 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1Cc2cnn(CC)c2[C@H](COCC)C1 ZINC001258729690 807575707 /nfs/dbraw/zinc/57/57/07/807575707.db2.gz XFUNYEJBBFFAOL-ZBFHGGJFSA-N 1 1 291.439 3.193 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@H]21 ZINC001258728769 807575773 /nfs/dbraw/zinc/57/57/73/807575773.db2.gz PYEZMZFDLLNEQL-MJBXVCDLSA-N 1 1 280.412 3.035 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCN(C)[C@H](c2ccccc2)C1 ZINC001258730357 807577488 /nfs/dbraw/zinc/57/74/88/807577488.db2.gz FSPMCXYTEGAICZ-WBVHZDCISA-N 1 1 258.409 3.330 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCN(C)[C@H](c2ccccc2)C1 ZINC001258730356 807577506 /nfs/dbraw/zinc/57/75/06/807577506.db2.gz FSPMCXYTEGAICZ-RDJZCZTQSA-N 1 1 258.409 3.330 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)Cc1cccc(OC)c1OC ZINC001258732489 807577577 /nfs/dbraw/zinc/57/75/77/807577577.db2.gz MDCAKCWSVSHMJB-ZDUSSCGKSA-N 1 1 263.381 3.490 20 30 CGEDMO C=CCC[C@H](C)[N@H+](CCC(=O)OC)C1CCCC1 ZINC001258731644 807577864 /nfs/dbraw/zinc/57/78/64/807577864.db2.gz BMUNKLAREJUVJU-ZDUSSCGKSA-N 1 1 253.386 3.149 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001258732930 807579689 /nfs/dbraw/zinc/57/96/89/807579689.db2.gz FBSWYKMYUFAAOE-YTQUADARSA-N 1 1 284.447 3.405 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001258732930 807579696 /nfs/dbraw/zinc/57/96/96/807579696.db2.gz FBSWYKMYUFAAOE-YTQUADARSA-N 1 1 284.447 3.405 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001258732930 807579699 /nfs/dbraw/zinc/57/96/99/807579699.db2.gz FBSWYKMYUFAAOE-YTQUADARSA-N 1 1 284.447 3.405 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](CC(=O)OC(C)(C)C)C1 ZINC001258734461 807580434 /nfs/dbraw/zinc/58/04/34/807580434.db2.gz YILSGSFYAYVUHA-ZIAGYGMSSA-N 1 1 267.413 3.395 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](n2cc(Br)cn2)C1 ZINC001258735997 807581965 /nfs/dbraw/zinc/58/19/65/807581965.db2.gz HXMWGVYFSGSBNU-WCQYABFASA-N 1 1 298.228 3.247 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@H](C(=O)OC)[C@H](c2ccccc2)C1 ZINC001258735771 807582024 /nfs/dbraw/zinc/58/20/24/807582024.db2.gz BLCBWVSVVAWLPJ-XIRDDKMYSA-N 1 1 287.403 3.230 20 30 CGEDMO C=C[C@@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001169122821 807582696 /nfs/dbraw/zinc/58/26/96/807582696.db2.gz FGRRAXZWWNQLOV-YYIAUSFCSA-N 1 1 256.393 3.129 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH2+][C@H](CC)C[C@@H](C)CC)C(=O)OCC ZINC001258783243 807610941 /nfs/dbraw/zinc/61/09/41/807610941.db2.gz BNKMCUMOINDGCY-DSJMHWKBSA-N 1 1 267.413 3.299 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1cc(C)nc2ccccc12 ZINC001169234796 807611623 /nfs/dbraw/zinc/61/16/23/807611623.db2.gz YCPTUPJODIYFSV-UHFFFAOYSA-N 1 1 252.361 3.387 20 30 CGEDMO C=CCc1cc(C)c[nH+]c1NCCc1cc(C)ccn1 ZINC001169316151 807627289 /nfs/dbraw/zinc/62/72/89/807627289.db2.gz SQLLUWZUJRAOAF-UHFFFAOYSA-N 1 1 267.376 3.477 20 30 CGEDMO C=CC[C@H](Nc1ccc2c(C)cc[nH+]c2c1)C(=O)OC ZINC001169841900 807715082 /nfs/dbraw/zinc/71/50/82/807715082.db2.gz PMXHTNMASMYAAA-AWEZNQCLSA-N 1 1 270.332 3.073 20 30 CGEDMO C=CC[N@H+](CCCOc1c(C)cccc1C)CCOC ZINC001169901038 807721832 /nfs/dbraw/zinc/72/18/32/807721832.db2.gz QINPOMBWDJBWDS-UHFFFAOYSA-N 1 1 277.408 3.207 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H]1COC(=O)N1CCCC1 ZINC001170139210 807772906 /nfs/dbraw/zinc/77/29/06/807772906.db2.gz ICGSEMQQFIVKFL-HNNXBMFYSA-N 1 1 280.412 3.040 20 30 CGEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H]1CC[C@@H](C)C1)C2 ZINC001170143981 807773988 /nfs/dbraw/zinc/77/39/88/807773988.db2.gz BDEYBACQZDZNKM-LTIDMASMSA-N 1 1 279.424 3.001 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2nnc(-c3ccccc3OC)o2)C1 ZINC001261804880 807789110 /nfs/dbraw/zinc/78/91/10/807789110.db2.gz RXVBZXKIXOFUNE-CYBMUJFWSA-N 1 1 299.374 3.143 20 30 CGEDMO CN1CCC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170376955 807833004 /nfs/dbraw/zinc/83/30/04/807833004.db2.gz TVOAJLFIDGVJNV-UHFFFAOYSA-N 1 1 297.446 3.028 20 30 CGEDMO N#CC1(c2ccccc2)CCC([N@H+]2C[C@@H]3CCO[C@@H]3C2)CC1 ZINC001170394768 807833462 /nfs/dbraw/zinc/83/34/62/807833462.db2.gz ACULBGRETRZRKT-WEOZKBJRSA-N 1 1 296.414 3.111 20 30 CGEDMO N#CC1(c2ccccc2)CCC([N@H+]2CC[C@]23CCOC3)CC1 ZINC001170397673 807833678 /nfs/dbraw/zinc/83/36/78/807833678.db2.gz FXKFKIZGPFOJOT-CTWPCTMYSA-N 1 1 296.414 3.255 20 30 CGEDMO C[C@H]1C[C@H](O)CC[N@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170388828 807834532 /nfs/dbraw/zinc/83/45/32/807834532.db2.gz GXUSJQKFEIGKFO-WEOZKBJRSA-N 1 1 298.430 3.236 20 30 CGEDMO CC[C@@H]([NH2+]Cc1cnc(C)s1)c1cccc(C#N)c1O ZINC001262198025 807835784 /nfs/dbraw/zinc/83/57/84/807835784.db2.gz DJSKFOJBGUKSKY-CQSZACIVSA-N 1 1 287.388 3.270 20 30 CGEDMO CC(C)(C)OC[C@H]1CCC[N@H+]1Cc1ccc(C#N)s1 ZINC001262311061 807846689 /nfs/dbraw/zinc/84/66/89/807846689.db2.gz QFQMUHAMFGDFNH-GFCCVEGCSA-N 1 1 278.421 3.399 20 30 CGEDMO N#C[C@H]1CCC[N@H+]([C@H]2CCc3cccc(F)c3C2)CC1 ZINC001171002285 807956718 /nfs/dbraw/zinc/95/67/18/807956718.db2.gz UUIROSLDHRPXIC-ZFWWWQNUSA-N 1 1 272.367 3.309 20 30 CGEDMO CC(C)Nc1cc[nH+]c(N[C@@H]2CCc3c2cccc3C#N)n1 ZINC001171060003 807976498 /nfs/dbraw/zinc/97/64/98/807976498.db2.gz RNEDYWCKSBAOAI-OAHLLOKOSA-N 1 1 293.374 3.268 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[NH2+]C1CCN(C2CCC2)CC1 ZINC001171190325 808003930 /nfs/dbraw/zinc/00/39/30/808003930.db2.gz RZNVFRPJGWCUIT-OAHLLOKOSA-N 1 1 297.446 3.096 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@@H](N2CCCCC2)C1 ZINC001171221343 808010350 /nfs/dbraw/zinc/01/03/50/808010350.db2.gz KTTJOROBMTWZMA-QFBILLFUSA-N 1 1 297.446 3.049 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@H](N2CCCCC2)C1 ZINC001171221343 808010356 /nfs/dbraw/zinc/01/03/56/808010356.db2.gz KTTJOROBMTWZMA-QFBILLFUSA-N 1 1 297.446 3.049 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@H](c2ccccn2)C1 ZINC001171221296 808010461 /nfs/dbraw/zinc/01/04/61/808010461.db2.gz KEKDTUOLMUTECS-YJBOKZPZSA-N 1 1 291.398 3.374 20 30 CGEDMO CC[N@@H+](Cc1cccnc1)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171221651 808011323 /nfs/dbraw/zinc/01/13/23/808011323.db2.gz RKCCONZZYPRUMI-HNNXBMFYSA-N 1 1 279.387 3.406 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@H](C(F)F)C1 ZINC001171224271 808013031 /nfs/dbraw/zinc/01/30/31/808013031.db2.gz QOCPCVNEBJPTIR-DOMZBBRYSA-N 1 1 278.346 3.466 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1O ZINC001171230027 808013448 /nfs/dbraw/zinc/01/34/48/808013448.db2.gz RPTJKVFNUHQWGB-AWEZNQCLSA-N 1 1 280.371 3.327 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCN(C)CC12CCCC2 ZINC001171231943 808015152 /nfs/dbraw/zinc/01/51/52/808015152.db2.gz OLSADSXLPCJILY-INIZCTEOSA-N 1 1 297.446 3.049 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)N1CC[N@H+](C)CC12CCCC2 ZINC001171231943 808015158 /nfs/dbraw/zinc/01/51/58/808015158.db2.gz OLSADSXLPCJILY-INIZCTEOSA-N 1 1 297.446 3.049 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)N1CC[N@@H+](C)CC12CCCC2 ZINC001171231943 808015164 /nfs/dbraw/zinc/01/51/64/808015164.db2.gz OLSADSXLPCJILY-INIZCTEOSA-N 1 1 297.446 3.049 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H]1c1ncccn1 ZINC001171233915 808015286 /nfs/dbraw/zinc/01/52/86/808015286.db2.gz HRHOVWCXKQCBEW-WMLDXEAASA-N 1 1 292.386 3.116 20 30 CGEDMO CC[N@H+](Cc1occc1C)C[C@@H](O)c1cccc(C#N)c1 ZINC001171240784 808015455 /nfs/dbraw/zinc/01/54/55/808015455.db2.gz VKAOCCHPQVMGIY-MRXNPFEDSA-N 1 1 284.359 3.015 20 30 CGEDMO C=CCOCC[N@@H+]1CC[C@@H](c2ccccc2)C1(C)C ZINC001171276647 808017237 /nfs/dbraw/zinc/01/72/37/808017237.db2.gz MFSGDVSSUGRCGU-INIZCTEOSA-N 1 1 259.393 3.457 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1[C@@H]2CCC[N@H+](CC)[C@H]2C1(C)C ZINC001264029835 808030152 /nfs/dbraw/zinc/03/01/52/808030152.db2.gz JWONNZTVWQBYBB-NUEKZKHPSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)/C=C(\C)CC)[C@H]1CC ZINC001264051434 808031404 /nfs/dbraw/zinc/03/14/04/808031404.db2.gz BXPXZTYOLIMXMG-KBYULJEUSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)C2CC2)[C@H]1CC ZINC001264071671 808033699 /nfs/dbraw/zinc/03/36/99/808033699.db2.gz KSWXKTQNUFVQME-HYVNUMGLSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1CC ZINC001264185986 808046469 /nfs/dbraw/zinc/04/64/69/808046469.db2.gz NMGYIEBTZDJDJF-QLFBSQMISA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1CC ZINC001264185986 808046473 /nfs/dbraw/zinc/04/64/73/808046473.db2.gz NMGYIEBTZDJDJF-QLFBSQMISA-N 1 1 298.858 3.098 20 30 CGEDMO C=CC(C)(C)C(=O)N(C)C[C@@H]1CC[N@H+]1CC1=CCCCC1 ZINC001264366951 808061116 /nfs/dbraw/zinc/06/11/16/808061116.db2.gz OMZQQFPQDGHZLB-INIZCTEOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)CC1CCCCCC1 ZINC001264372761 808062456 /nfs/dbraw/zinc/06/24/56/808062456.db2.gz MEORGDMTQHDGCO-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[C@H](C(=O)OC)[N@H+]1CC[C@@H]([C@@H]2CCCC2(C)C)C1 ZINC001171459168 808063985 /nfs/dbraw/zinc/06/39/85/808063985.db2.gz SKEHMGBFPLNTPN-QLFBSQMISA-N 1 1 279.424 3.252 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)CC(C)C)[C@H]1C ZINC001264727810 808087846 /nfs/dbraw/zinc/08/78/46/808087846.db2.gz YTXIGGBQGIKUCA-XHSDSOJGSA-N 1 1 280.456 3.214 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1CC ZINC001264744483 808091120 /nfs/dbraw/zinc/09/11/20/808091120.db2.gz ZZVWCUNMQLYBOC-IXDOHACOSA-N 1 1 292.467 3.312 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC001171571815 808100570 /nfs/dbraw/zinc/10/05/70/808100570.db2.gz BRYTZERCHDXITN-RDJZCZTQSA-N 1 1 253.389 3.452 20 30 CGEDMO C=CC[N@@H+](CC)CCCNC(=O)c1c(C)cccc1Cl ZINC001265131180 808112872 /nfs/dbraw/zinc/11/28/72/808112872.db2.gz PHYYBRKERAADNQ-UHFFFAOYSA-N 1 1 294.826 3.276 20 30 CGEDMO C=CC[N@@H+](CC)CCCNC(=O)c1sccc1C(C)C ZINC001265148145 808114359 /nfs/dbraw/zinc/11/43/59/808114359.db2.gz XEKWYOUQSFXIPL-UHFFFAOYSA-N 1 1 294.464 3.499 20 30 CGEDMO C=C(C)C[N@@H+](CCCNC(=O)C1(F)CCCCC1)C1CC1 ZINC001265180324 808115574 /nfs/dbraw/zinc/11/55/74/808115574.db2.gz QQOPDWFFISGSKX-UHFFFAOYSA-N 1 1 296.430 3.206 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C)s2)C1 ZINC001265202031 808119588 /nfs/dbraw/zinc/11/95/88/808119588.db2.gz ZQEWBGCOZDURNX-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)C(C)=C2CCC2)C1 ZINC001265281254 808125152 /nfs/dbraw/zinc/12/51/52/808125152.db2.gz JRVVZGIYZPUVBX-BBRMVZONSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC001265274262 808125983 /nfs/dbraw/zinc/12/59/83/808125983.db2.gz AORBEQYNWZESRC-KRWDZBQOSA-N 1 1 298.430 3.221 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CCCCCC)C2)C1 ZINC001265303054 808128963 /nfs/dbraw/zinc/12/89/63/808128963.db2.gz AOQMAZXIOPLAGC-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@@H](OC(C)C)C1 ZINC001171742144 808129173 /nfs/dbraw/zinc/12/91/73/808129173.db2.gz WSLUMNNIELALAZ-MRXNPFEDSA-N 1 1 251.414 3.460 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](C)CCC)C1 ZINC001265386841 808138622 /nfs/dbraw/zinc/13/86/22/808138622.db2.gz NTYYYLDMFTYLNX-HZPDHXFCSA-N 1 1 280.456 3.169 20 30 CGEDMO CC(C)(C)OC(=O)C1CCC([N@H+]2CCC[C@@H](C#N)C2)CC1 ZINC001171928582 808154913 /nfs/dbraw/zinc/15/49/13/808154913.db2.gz MMYQJODZKOMWEO-NFOMZHRRSA-N 1 1 292.423 3.122 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](CNC(=O)CC(C)(C)C=C)C1 ZINC001265585017 808157382 /nfs/dbraw/zinc/15/73/82/808157382.db2.gz YOXYZJPDHMMNHD-MRXNPFEDSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C2CC2)C1 ZINC001265588599 808158461 /nfs/dbraw/zinc/15/84/61/808158461.db2.gz HNLQSBPSSISXKU-OAHLLOKOSA-N 1 1 292.467 3.217 20 30 CGEDMO CC1(C)C[C@@H]([NH2+]CCCS)CCN1Cc1ccccc1 ZINC001171974390 808162661 /nfs/dbraw/zinc/16/26/61/808162661.db2.gz FMYVEOVMIGNXQO-INIZCTEOSA-N 1 1 292.492 3.339 20 30 CGEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H](CC)CCCC ZINC001265650085 808164212 /nfs/dbraw/zinc/16/42/12/808164212.db2.gz ZNBBNZPFARCJBR-IRXDYDNUSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CC)CC(C)C ZINC001265656059 808166047 /nfs/dbraw/zinc/16/60/47/808166047.db2.gz VLGDRNQLKWLYSR-JKSUJKDBSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCC2CC2)C1 ZINC001265700654 808171010 /nfs/dbraw/zinc/17/10/10/808171010.db2.gz UDVCDMJQJSTGMR-HIFRSBDPSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)CC)C1 ZINC001265704873 808172135 /nfs/dbraw/zinc/17/21/35/808172135.db2.gz BFIQUTQRNDBXHT-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC(=O)NC[C@@H](C)[NH2+]Cc1c(F)cccc1Cl ZINC001265759259 808178901 /nfs/dbraw/zinc/17/89/01/808178901.db2.gz SMAYUFRIXQVFOI-LLVKDONJSA-N 1 1 298.789 3.040 20 30 CGEDMO C=C1CC(C)(C(=O)NCCC[N@H+](C)C[C@@H](C)CC(C)C)C1 ZINC001265921002 808193478 /nfs/dbraw/zinc/19/34/78/808193478.db2.gz FHWLEFFOISAFNJ-HNNXBMFYSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[N@@H+](C)CCCNC(=O)c1c(F)cccc1Cl ZINC001265958941 808197199 /nfs/dbraw/zinc/19/71/99/808197199.db2.gz HMXBHNVQBIUSOD-UHFFFAOYSA-N 1 1 298.789 3.107 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)CCC2CCCC2)C1 ZINC001266090578 808208865 /nfs/dbraw/zinc/20/88/65/808208865.db2.gz NBQXTGKZXOCZJM-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO COCC[C@H]1CCCC[N@H+]1[C@H](C)Cc1ccc(C#N)cc1 ZINC001172307499 808222634 /nfs/dbraw/zinc/22/26/34/808222634.db2.gz OUGZHQANZOYWNW-CRAIPNDOSA-N 1 1 286.419 3.380 20 30 CGEDMO CC(C)N1CC[C@@H]([NH2+][C@H](C)Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001172308609 808222691 /nfs/dbraw/zinc/22/26/91/808222691.db2.gz LLQLLPHMVXWBTN-GPMSIDNRSA-N 1 1 299.462 3.198 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001172312542 808224114 /nfs/dbraw/zinc/22/41/14/808224114.db2.gz GLDLBILJJKKPTL-HNNXBMFYSA-N 1 1 289.382 3.493 20 30 CGEDMO C=C(C)CCC(=O)NCCC[C@@H]1CCC[N@H+]1C/C=C\Cl ZINC001266219137 808227979 /nfs/dbraw/zinc/22/79/79/808227979.db2.gz DKGGIPIMMGQCKF-WSVPDTOYSA-N 1 1 298.858 3.456 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001266240445 808231686 /nfs/dbraw/zinc/23/16/86/808231686.db2.gz VRXRBAQARGQJIN-IXDOHACOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H](CCC)C(C)C)C1 ZINC001266239269 808231919 /nfs/dbraw/zinc/23/19/19/808231919.db2.gz AMHDBUSFASWAPK-JKSUJKDBSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)o2)C1 ZINC001266299721 808238644 /nfs/dbraw/zinc/23/86/44/808238644.db2.gz XBDGEAYDAKAPTR-OAHLLOKOSA-N 1 1 290.407 3.139 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)CC2CCCC2)C1 ZINC001266298876 808238800 /nfs/dbraw/zinc/23/88/00/808238800.db2.gz JUIAQTXKQDRNQI-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2sc(C)cc2C)C1 ZINC001266322061 808241086 /nfs/dbraw/zinc/24/10/86/808241086.db2.gz ZUDIGZPHSNXWFC-CQSZACIVSA-N 1 1 292.448 3.135 20 30 CGEDMO CCCCCCC[C@H](CC)n1cnc(C[NH3+])cc1=N ZINC001172345907 808244033 /nfs/dbraw/zinc/24/40/33/808244033.db2.gz FFBWLFLLLSHVDL-AWEZNQCLSA-N 1 1 264.417 3.133 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)C(C)=C1CCCC1 ZINC001266456672 808269064 /nfs/dbraw/zinc/26/90/64/808269064.db2.gz BYTYAWNPZCBIFK-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CCCC(C)C)C1 ZINC001266469284 808270758 /nfs/dbraw/zinc/27/07/58/808270758.db2.gz ITTYBAXRGPDJCE-KRWDZBQOSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC12CC2 ZINC001266483026 808273748 /nfs/dbraw/zinc/27/37/48/808273748.db2.gz MNGNWZSQHZWCCV-HZPDHXFCSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)CC2CCCCC2)C1 ZINC001266500213 808277065 /nfs/dbraw/zinc/27/70/65/808277065.db2.gz NRAVBUJGSLHZRL-HNNXBMFYSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)CC2CCCCC2)C1 ZINC001266500213 808277069 /nfs/dbraw/zinc/27/70/69/808277069.db2.gz NRAVBUJGSLHZRL-HNNXBMFYSA-N 1 1 298.858 3.147 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](CNC(=O)C(C)(C)C(C)C)C1 ZINC001266513874 808279826 /nfs/dbraw/zinc/27/98/26/808279826.db2.gz IDQAAASVCQZBBA-HOTGVXAUSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001266533289 808282068 /nfs/dbraw/zinc/28/20/68/808282068.db2.gz HQKFKYGKGCQDBY-CVEARBPZSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H](CNC(=O)C2(CC=C)CCC2)C1 ZINC001266533947 808282258 /nfs/dbraw/zinc/28/22/58/808282258.db2.gz UBKGBSFBLYSNGC-INIZCTEOSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001266544706 808283501 /nfs/dbraw/zinc/28/35/01/808283501.db2.gz HELKCLRNSVMHSI-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)[C@@H](C)C1CCCC1 ZINC001266575725 808290048 /nfs/dbraw/zinc/29/00/48/808290048.db2.gz ZXCMRZTXPJXWHW-HNNXBMFYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCCF)C1 ZINC001266659777 808303631 /nfs/dbraw/zinc/30/36/31/808303631.db2.gz RSSBXJJKDPOPQT-HZPDHXFCSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)C(CC)CC)C1 ZINC001266754397 808312318 /nfs/dbraw/zinc/31/23/18/808312318.db2.gz BXEPSXFGFADKGQ-LSDHHAIUSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCCC(=O)NC[C@H]1CCC[N@H+](CC=C(C)C)C1 ZINC001266758530 808314647 /nfs/dbraw/zinc/31/46/47/808314647.db2.gz VFKUCBOTXRSOBA-MRXNPFEDSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)co1 ZINC001266852940 808323088 /nfs/dbraw/zinc/32/30/88/808323088.db2.gz BOCUPKGERLBRSY-OAHLLOKOSA-N 1 1 290.407 3.139 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)CC1(C)CC1 ZINC001266850074 808323312 /nfs/dbraw/zinc/32/33/12/808323312.db2.gz TWZKAFGNLWWIEG-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C[C@@H](CCCC#N)[NH2+][C@H](C(=O)OC(C)(C)C)C(C)(C)C ZINC001172488591 808349010 /nfs/dbraw/zinc/34/90/10/808349010.db2.gz UUPYRZSDSXYMIB-QWHCGFSZSA-N 1 1 282.428 3.415 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC001172491935 808352401 /nfs/dbraw/zinc/35/24/01/808352401.db2.gz IIJRTPZJOWBKKP-WBVHZDCISA-N 1 1 271.408 3.057 20 30 CGEDMO C[C@@H](CCCC#N)[N@@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC001172498016 808354923 /nfs/dbraw/zinc/35/49/23/808354923.db2.gz IFOKHPZELOWJAR-HNNXBMFYSA-N 1 1 282.391 3.386 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001172500413 808355012 /nfs/dbraw/zinc/35/50/12/808355012.db2.gz NIGVNCOJPMYEOU-CRAIPNDOSA-N 1 1 297.402 3.484 20 30 CGEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)CCCC[C@@H](C)CC)C1 ZINC001267104052 808358274 /nfs/dbraw/zinc/35/82/74/808358274.db2.gz LBOBUSTZXLOPPP-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO C[C@H](c1ccccc1)[NH+]1CCN([C@@H](C)CCCC#N)CC1 ZINC001172503156 808358995 /nfs/dbraw/zinc/35/89/95/808358995.db2.gz YGQAZLFOIIWADW-DLBZAZTESA-N 1 1 285.435 3.448 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC001172503346 808359080 /nfs/dbraw/zinc/35/90/80/808359080.db2.gz AFNFVTPNEIPVLW-HNNXBMFYSA-N 1 1 294.402 3.313 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@@H](C)CCCC#N)c(OC)c1 ZINC001172503140 808359229 /nfs/dbraw/zinc/35/92/29/808359229.db2.gz YEKKKHJFHSWGRW-ZDUSSCGKSA-N 1 1 276.380 3.218 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001172508438 808364236 /nfs/dbraw/zinc/36/42/36/808364236.db2.gz CZHXQAGXTGIRRR-JOYOIKCWSA-N 1 1 286.301 3.425 20 30 CGEDMO CCCCCCC[C@H](CCC)[N@@H+](C)CC(=O)NC ZINC001172509093 808365983 /nfs/dbraw/zinc/36/59/83/808365983.db2.gz SKNXYNHESUESMZ-AWEZNQCLSA-N 1 1 256.434 3.193 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)c1cc(C)cc(C)c1 ZINC001267227232 808387042 /nfs/dbraw/zinc/38/70/42/808387042.db2.gz IHQUBVJIYZFJDX-INIZCTEOSA-N 1 1 288.435 3.320 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](CNC(=O)C2(CC(C)C)CCC2)C1 ZINC001267297758 808406680 /nfs/dbraw/zinc/40/66/80/808406680.db2.gz JRHPFSNMULTAGO-MRXNPFEDSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001267308034 808410186 /nfs/dbraw/zinc/41/01/86/808410186.db2.gz YQLONKWPOJIPNA-BRWVUGGUSA-N 1 1 292.467 3.217 20 30 CGEDMO C#CC[N@@H+](CCC)CCNC(=O)CC1CCC(C)(C)CC1 ZINC001267320206 808413142 /nfs/dbraw/zinc/41/31/42/808413142.db2.gz ASDYNUPHIJFJAQ-UHFFFAOYSA-N 1 1 292.467 3.054 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172719407 808417412 /nfs/dbraw/zinc/41/74/12/808417412.db2.gz NNWXUUWZHKASIZ-HNNXBMFYSA-N 1 1 262.784 3.433 20 30 CGEDMO C=C1CC=C(F)C=C1[NH2+][C@H]1CCC[C@H](C(=O)OC)CC1 ZINC001172800422 808442344 /nfs/dbraw/zinc/44/23/44/808442344.db2.gz RYFKEZROXMKOPM-JSGCOSHPSA-N 1 1 279.355 3.395 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)CCCCC(C)C)C1 ZINC001267547302 808443651 /nfs/dbraw/zinc/44/36/51/808443651.db2.gz LPRXGCUNZTZXDT-KRWDZBQOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCCC[N@H+](C)[C@@H]1CCC[C@H](C(=O)OC)CC1 ZINC001172806648 808443756 /nfs/dbraw/zinc/44/37/56/808443756.db2.gz JISZHHPRCAHNDQ-LSDHHAIUSA-N 1 1 267.413 3.396 20 30 CGEDMO C=C[C@H](CC)CC(=O)N(CCC)[C@H]1CC[N@H+](C(C)C)C1 ZINC001267546456 808444926 /nfs/dbraw/zinc/44/49/26/808444926.db2.gz PDHZSLQWMPANCQ-CVEARBPZSA-N 1 1 280.456 3.310 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCN(C(=O)CC(C)C)C1 ZINC001267576914 808451285 /nfs/dbraw/zinc/45/12/85/808451285.db2.gz BJFIRXWZOCMSGP-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)C2CCC(=C)CC2)C1 ZINC001267587544 808453534 /nfs/dbraw/zinc/45/35/34/808453534.db2.gz ALQUDEWTZDWOPK-MRXNPFEDSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCCC[NH+]1CC(NC(=O)c2cccc(C3CCC3)c2)C1 ZINC001267666678 808467637 /nfs/dbraw/zinc/46/76/37/808467637.db2.gz IXMJNQCWUMXNFL-UHFFFAOYSA-N 1 1 298.430 3.334 20 30 CGEDMO C=CCCCC(=O)N1CC[C@@H](C[N@H+](C)C[C@H](C)CC)C1 ZINC001267683579 808470863 /nfs/dbraw/zinc/47/08/63/808470863.db2.gz LIGLJSPCXYPCAY-CVEARBPZSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[N@H+](C)CC1CCN(C(=O)C=C2CCCCC2)CC1 ZINC001267718682 808476955 /nfs/dbraw/zinc/47/69/55/808476955.db2.gz PVIUXWYWKZDCSE-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C(C)C)C1 ZINC001267730795 808478581 /nfs/dbraw/zinc/47/85/81/808478581.db2.gz ADAYJOLCKSSFPY-HOTGVXAUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+](C)CC1CCN(C(=O)C[C@H](C)CC)CC1 ZINC001267724900 808479116 /nfs/dbraw/zinc/47/91/16/808479116.db2.gz PYPJSEOWMKRJDN-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](N(C)C(=O)CCCC[C@H](C)CC)C1 ZINC001267764339 808486712 /nfs/dbraw/zinc/48/67/12/808486712.db2.gz SRWFFQSZIFGQOB-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](N(C)C(=O)CCCCCC(C)C)C1 ZINC001267774293 808488653 /nfs/dbraw/zinc/48/86/53/808488653.db2.gz VYZYPGXMROVSIP-KRWDZBQOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001268112880 808543703 /nfs/dbraw/zinc/54/37/03/808543703.db2.gz VQZBIALTSDRLLR-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+](C)CCC1CCN(C(=O)C(CC)CC)CC1 ZINC001268199409 808556038 /nfs/dbraw/zinc/55/60/38/808556038.db2.gz CPNBHWYDDUTXKZ-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)[C@]1(C)CC=CCC1 ZINC001268239942 808565188 /nfs/dbraw/zinc/56/51/88/808565188.db2.gz TWDRKLQCNUECCN-QGZVFWFLSA-N 1 1 278.440 3.089 20 30 CGEDMO C#Cc1ccc(C(=O)N(C)CC[N@H+](C)CC/C=C/CC)cc1 ZINC001268245476 808567129 /nfs/dbraw/zinc/56/71/29/808567129.db2.gz OXVNOBBUMLBZPO-BQYQJAHWSA-N 1 1 298.430 3.028 20 30 CGEDMO C=CCOC(=O)[C@H](CC(C)C)[NH2+][C@H]1CC[C@@H](CC)C1 ZINC001173268334 808572023 /nfs/dbraw/zinc/57/20/23/808572023.db2.gz WKLFQRBSAAJPKT-ILXRZTDVSA-N 1 1 267.413 3.299 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)CCCCC)CC[C@H]21 ZINC001268264628 808573285 /nfs/dbraw/zinc/57/32/85/808573285.db2.gz UUANXKBRADTDKN-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCOC1CCC([N@H+]2CC[C@]3(C2)CCCOC3)CC1 ZINC001173326724 808612657 /nfs/dbraw/zinc/61/26/57/808612657.db2.gz OLNBJCRNRYNOPK-JCYILVPMSA-N 1 1 279.424 3.003 20 30 CGEDMO C=CCOC1CCC([N@H+]2CC[C@@H](C(F)(F)F)C2)CC1 ZINC001173327856 808614409 /nfs/dbraw/zinc/61/44/09/808614409.db2.gz UQAOQYMONBNYDX-PNESKVBLSA-N 1 1 277.330 3.384 20 30 CGEDMO Cc1nc([C@@H]2CCCC[N@@H+]2C2CCC(CC#N)CC2)no1 ZINC001173339934 808619516 /nfs/dbraw/zinc/61/95/16/808619516.db2.gz VRWCSMDKZHZTJU-NRXISQOPSA-N 1 1 288.395 3.378 20 30 CGEDMO Cc1nc([C@@H]2CCCC[N@H+]2C2CCC(CC#N)CC2)no1 ZINC001173339934 808619520 /nfs/dbraw/zinc/61/95/20/808619520.db2.gz VRWCSMDKZHZTJU-NRXISQOPSA-N 1 1 288.395 3.378 20 30 CGEDMO C=CC1(CC(=O)N[C@@H](C)C[N@@H+](C)CC2CC2)CCCCC1 ZINC001268751183 808623947 /nfs/dbraw/zinc/62/39/47/808623947.db2.gz RVXPDFXSMRTZJY-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CCC1 ZINC001268935264 808636471 /nfs/dbraw/zinc/63/64/71/808636471.db2.gz RBINOBGIBDARLJ-IRXDYDNUSA-N 1 1 292.467 3.432 20 30 CGEDMO C=C1CC=C(F)C=C1[NH2+][C@@H](C)CCCCC(=O)OC ZINC001173447026 808638049 /nfs/dbraw/zinc/63/80/49/808638049.db2.gz YVZMHSQOZMIIBK-LBPRGKRZSA-N 1 1 267.344 3.395 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C2CCC2)C1 ZINC001269038788 808642533 /nfs/dbraw/zinc/64/25/33/808642533.db2.gz IAWOAGAMGCTWIB-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@H]1CC[N@H+](CC(CC)CC)C1 ZINC001269057234 808644089 /nfs/dbraw/zinc/64/40/89/808644089.db2.gz RAOVNYKTKSZNNV-HOCLYGCPSA-N 1 1 280.456 3.215 20 30 CGEDMO CCCCC[NH+]1CCN(C2CCC(C)(C#N)CC2)CC1 ZINC001173596320 808649544 /nfs/dbraw/zinc/64/95/44/808649544.db2.gz RXCORRZWNKGEQH-UHFFFAOYSA-N 1 1 277.456 3.267 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CC[C@H](c3cccnc3)C2)CC1 ZINC001173596297 808649752 /nfs/dbraw/zinc/64/97/52/808649752.db2.gz QWIXOTPWAQMKEN-GTPINHCMSA-N 1 1 269.392 3.343 20 30 CGEDMO Cc1nc([C@H]2CCCC[N@@H+]2C2CCC(C)(C#N)CC2)no1 ZINC001173599933 808651354 /nfs/dbraw/zinc/65/13/54/808651354.db2.gz TYXXAOSXURJKGO-NPCAHTBFSA-N 1 1 288.395 3.378 20 30 CGEDMO Cc1nc([C@H]2CCCC[N@H+]2C2CCC(C)(C#N)CC2)no1 ZINC001173599933 808651357 /nfs/dbraw/zinc/65/13/57/808651357.db2.gz TYXXAOSXURJKGO-NPCAHTBFSA-N 1 1 288.395 3.378 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001269186933 808653211 /nfs/dbraw/zinc/65/32/11/808653211.db2.gz KGVOPLAUQCQAQO-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)c1ccoc1CC ZINC001269229302 808657949 /nfs/dbraw/zinc/65/79/49/808657949.db2.gz GWAOWXUEBUSOKJ-KGLIPLIRSA-N 1 1 290.407 3.001 20 30 CGEDMO C=C(C)CCC(=O)N(C)[C@H]1CC[N@H+](CCCCCC)C1 ZINC001269246196 808659260 /nfs/dbraw/zinc/65/92/60/808659260.db2.gz TYGSYWQFGWCQCS-INIZCTEOSA-N 1 1 280.456 3.456 20 30 CGEDMO C=CCCCC(=O)N(C)[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001269268498 808661633 /nfs/dbraw/zinc/66/16/33/808661633.db2.gz MLBAYRYVSGOQEK-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@H]1CC[N@H+]1CCC(C)(C)C ZINC001269278997 808664257 /nfs/dbraw/zinc/66/42/57/808664257.db2.gz SUUHCHKDXVGALT-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)CCC2CCCC2)C1 ZINC001269306485 808668063 /nfs/dbraw/zinc/66/80/63/808668063.db2.gz DWFMJGLHMYAWLC-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)Cc1ccc(C(=O)OC)cc1 ZINC001173730758 808668609 /nfs/dbraw/zinc/66/86/09/808668609.db2.gz PLJMAEKBXJCODG-CQSZACIVSA-N 1 1 275.392 3.302 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)C(C)=C2CCC2)C1 ZINC001269323668 808668956 /nfs/dbraw/zinc/66/89/56/808668956.db2.gz ANWLCJXXNRLYGT-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO CCCCCCC[N@@H+](CC)[C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173758431 808670322 /nfs/dbraw/zinc/67/03/22/808670322.db2.gz DZDASMPEEHEICI-JKSUJKDBSA-N 1 1 293.459 3.449 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(C)=O)C1 ZINC001269553354 808687772 /nfs/dbraw/zinc/68/77/72/808687772.db2.gz QWEMVIPQSLVDGS-QZTJIDSGSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCC ZINC001269580613 808690188 /nfs/dbraw/zinc/69/01/88/808690188.db2.gz XPLLKUPQUQDQTD-CVEARBPZSA-N 1 1 278.440 3.208 20 30 CGEDMO C#CCC[N@H+](CCNC(=O)CCC=C)C1CCCCCC1 ZINC001269605518 808691159 /nfs/dbraw/zinc/69/11/59/808691159.db2.gz SEGNCQAJSJLVSX-UHFFFAOYSA-N 1 1 290.451 3.117 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@]1(C)CC[N@H+](C[C@H](F)CC)C1 ZINC001270590684 808738324 /nfs/dbraw/zinc/73/83/24/808738324.db2.gz QEJIWAOPQSKDEZ-WBVHZDCISA-N 1 1 296.430 3.084 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)C2CC(C)C2)C1 ZINC001270949780 808756640 /nfs/dbraw/zinc/75/66/40/808756640.db2.gz KICHBPIVPSKMMP-HTWSVDAQSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CC=CCC1 ZINC001271962218 808791056 /nfs/dbraw/zinc/79/10/56/808791056.db2.gz INBNNXXOHYROAV-JKSUJKDBSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)/C=C(\C)CC)[C@@H]2C1 ZINC001272071486 808795787 /nfs/dbraw/zinc/79/57/87/808795787.db2.gz HYQFWWZOMLEZHG-PPHUUTPLSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)/C=C(\C)CC)[C@@H]2C1 ZINC001272071486 808795792 /nfs/dbraw/zinc/79/57/92/808795792.db2.gz HYQFWWZOMLEZHG-PPHUUTPLSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)/C=C(/C)CC)[C@@H]2C1 ZINC001272071490 808796483 /nfs/dbraw/zinc/79/64/83/808796483.db2.gz HZJVFZIGJBHWLF-IDDMRKIPSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C[C@H](C(=O)N(C)CC[N@H+](C)CC(C)C)c1ccccc1 ZINC001272179059 808800619 /nfs/dbraw/zinc/80/06/19/808800619.db2.gz VUTSIOJQQIFOLM-KRWDZBQOSA-N 1 1 288.435 3.002 20 30 CGEDMO CCCCCCC[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](C)C2 ZINC001272293641 808803736 /nfs/dbraw/zinc/80/37/36/808803736.db2.gz LTTXDDHTLUOBNA-OAHLLOKOSA-N 1 1 280.456 3.147 20 30 CGEDMO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CCCCCCC ZINC001272476150 808812198 /nfs/dbraw/zinc/81/21/98/808812198.db2.gz JWXXHBQXCRIYKZ-SFHVURJKSA-N 1 1 290.451 3.047 20 30 CGEDMO CCCCCCCCC[N@H+]1CCC[C@]12CCN(C)C2=O ZINC001272479188 808813800 /nfs/dbraw/zinc/81/38/00/808813800.db2.gz ZHECTLRCTHPTOT-QGZVFWFLSA-N 1 1 280.456 3.434 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccccc3)CC2)C1=O ZINC001272591873 808817620 /nfs/dbraw/zinc/81/76/20/808817620.db2.gz BYASQHLYDSFVQP-LJQANCHMSA-N 1 1 298.430 3.077 20 30 CGEDMO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(C)c1 ZINC001272908218 808826662 /nfs/dbraw/zinc/82/66/62/808826662.db2.gz XNGKPZZFTWRYQN-LJQANCHMSA-N 1 1 298.430 3.138 20 30 CGEDMO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(C)c(C)c2)C1=O ZINC001272988250 808830096 /nfs/dbraw/zinc/83/00/96/808830096.db2.gz OQJGMZHRSWMLJH-IBGZPJMESA-N 1 1 298.430 3.056 20 30 CGEDMO C#CCCCC(=O)N[C@H]1CCC[N@H+]([C@H](C)CCC=C)CC1 ZINC001273408295 808844063 /nfs/dbraw/zinc/84/40/63/808844063.db2.gz BIYDOUHQJJGKHD-SJORKVTESA-N 1 1 290.451 3.115 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CCC[N@H+](CC(=C)C)CC2)CCC1 ZINC001273447161 808844495 /nfs/dbraw/zinc/84/44/95/808844495.db2.gz VQLZNLLACZLCIX-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC[N@H+](C)CCCN(C)C(=O)C1CCCCC1 ZINC001273482631 808848648 /nfs/dbraw/zinc/84/86/48/808848648.db2.gz VIOSCAANAHPLCV-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@]2(CCN([C@H](C)CC)C2=O)C1 ZINC001273495414 808850209 /nfs/dbraw/zinc/85/02/09/808850209.db2.gz WGZZJUKJHPZDHL-WBVHZDCISA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)c1cc[nH]c1C(C)C ZINC001273548427 808853718 /nfs/dbraw/zinc/85/37/18/808853718.db2.gz SMEGDDGJUWGQLX-UHFFFAOYSA-N 1 1 291.439 3.108 20 30 CGEDMO C=CC[N@H+](C)CCCN(C)C(=O)c1cc2ccccc2o1 ZINC001273584784 808856410 /nfs/dbraw/zinc/85/64/10/808856410.db2.gz XJXJOKRKPSVNPZ-UHFFFAOYSA-N 1 1 286.375 3.013 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[N@@H+](C/C=C\Cl)CC1(C)C ZINC001274447620 808875623 /nfs/dbraw/zinc/87/56/23/808875623.db2.gz YEGWGRZJKUXPNH-FNOHHLHBSA-N 1 1 298.858 3.168 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H](NC(=O)CC2CCC2)C(C)(C)C1 ZINC001274427152 808875845 /nfs/dbraw/zinc/87/58/45/808875845.db2.gz ZACUWGWXTWVJSG-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(CCC)CC2)C[C@H]1C ZINC001274642638 808879821 /nfs/dbraw/zinc/87/98/21/808879821.db2.gz FOBGZHDWHMTLFF-ZIAGYGMSSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(CCC)CC2)C[C@H]1C ZINC001274642638 808879826 /nfs/dbraw/zinc/87/98/26/808879826.db2.gz FOBGZHDWHMTLFF-ZIAGYGMSSA-N 1 1 298.858 3.288 20 30 CGEDMO C=CCCCC(=O)NC[C@@H]1c2ccccc2CC[N@H+]1CC=C ZINC001274847893 808890435 /nfs/dbraw/zinc/89/04/35/808890435.db2.gz RPZRUVWAFWNYNX-GOSISDBHSA-N 1 1 298.430 3.244 20 30 CGEDMO C=CCCCC(=O)NC[C@@H]1c2ccccc2CC[N@@H+]1CC=C ZINC001274847893 808890444 /nfs/dbraw/zinc/89/04/44/808890444.db2.gz RPZRUVWAFWNYNX-GOSISDBHSA-N 1 1 298.430 3.244 20 30 CGEDMO C=CCC[N@H+](CC)CC1CCN(C(=O)C2CC=CC2)CC1 ZINC001274945518 808894512 /nfs/dbraw/zinc/89/45/12/808894512.db2.gz OMXAKZOLTHNTJO-UHFFFAOYSA-N 1 1 290.451 3.089 20 30 CGEDMO CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)C[C@H](CC)C(C)C ZINC001275161306 808919332 /nfs/dbraw/zinc/91/93/32/808919332.db2.gz YIXRBPJQAOVLJM-DLBZAZTESA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)C[C@H](C)C1CC1 ZINC001275176433 808920217 /nfs/dbraw/zinc/92/02/17/808920217.db2.gz OJFMEMLXKOFPCD-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)CCC(F)(F)F ZINC001275528172 808943988 /nfs/dbraw/zinc/94/39/88/808943988.db2.gz MADMYNBTTZTNBH-VXGBXAGGSA-N 1 1 294.361 3.120 20 30 CGEDMO CCCCCCC[N@@H+](C)C[C@@H](C)NC(=O)C#CC(C)(C)C ZINC001275553361 808947694 /nfs/dbraw/zinc/94/76/94/808947694.db2.gz YRHGIQBHLKMWAU-MRXNPFEDSA-N 1 1 294.483 3.443 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H](C)[N@@H+](C)CC1CC(C)(C)C1 ZINC001275843926 808971027 /nfs/dbraw/zinc/97/10/27/808971027.db2.gz JWHRAHHOXXGYHS-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[C@H](C(=O)NC[C@H](C)[N@H+](C)C(C)C)c1ccccc1 ZINC001276000726 808982958 /nfs/dbraw/zinc/98/29/58/808982958.db2.gz BJJBOBYVKDYDCK-RDJZCZTQSA-N 1 1 288.435 3.191 20 30 CGEDMO CC#CC[N@@H+](C)[C@@H](C)CNC(=O)CC1CCC(C)(C)CC1 ZINC001276021560 808984588 /nfs/dbraw/zinc/98/45/88/808984588.db2.gz UIKHFEFSTOOOCT-HNNXBMFYSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001276012810 808985047 /nfs/dbraw/zinc/98/50/47/808985047.db2.gz UBCGNWBAWQCFOA-NNGSBXSVSA-N 1 1 292.467 3.215 20 30 CGEDMO C#CCCCC(=O)NC[C@H]1CCCCC[N@@H+]1CCC(C)C ZINC001276301028 809001319 /nfs/dbraw/zinc/00/13/19/809001319.db2.gz WILTYWAHLQRWRB-QGZVFWFLSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)C2CCCCC2)C(C)(C)C1 ZINC001276554727 809015629 /nfs/dbraw/zinc/01/56/29/809015629.db2.gz FRCYNTVGAJJMHH-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@](C)(CC)CCC)[C@@H]2C1 ZINC001276725009 809026672 /nfs/dbraw/zinc/02/66/72/809026672.db2.gz DGHVCFLSTBVBDM-XLMAVXFVSA-N 1 1 292.467 3.073 20 30 CGEDMO CC#CCCCC(=O)NC[C@@H]1CC[N@H+]1CCCC(C)(C)C ZINC001276910247 809043487 /nfs/dbraw/zinc/04/34/87/809043487.db2.gz XTKPZDOSQSHWKK-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C[N@H+]1CCC[C@@]2(CCCN(c3cc(C#N)ccc3F)C2)C1 ZINC001277022208 809054308 /nfs/dbraw/zinc/05/43/08/809054308.db2.gz ASYUCPBCPOCKTK-QGZVFWFLSA-N 1 1 287.382 3.010 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1C[C@H]2C[C@@]2(C(=O)N(C)C)C1 ZINC001277169817 809061465 /nfs/dbraw/zinc/06/14/65/809061465.db2.gz HLYSLOJVRQMWDV-SJLPKXTDSA-N 1 1 292.467 3.313 20 30 CGEDMO CCc1cc(C#N)ccc1CN[C@@]12CC[C@@]([NH2+]C)(C1)CCC2 ZINC001277238992 809065117 /nfs/dbraw/zinc/06/51/17/809065117.db2.gz LFAAWJBVVUGOJX-MOPGFXCFSA-N 1 1 297.446 3.275 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)C3(CCCC)CC3)C2)C1 ZINC001277531992 809078386 /nfs/dbraw/zinc/07/83/86/809078386.db2.gz VGGZANPCROWUTG-KRWDZBQOSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C/C(C)=C/CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(=C)C ZINC001278315821 809124914 /nfs/dbraw/zinc/12/49/14/809124914.db2.gz VDCAQAZZIPJNSC-WZQKHZFYSA-N 1 1 288.435 3.150 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)C(CC)CC)CCC[C@@H]12 ZINC001278431800 809134354 /nfs/dbraw/zinc/13/43/54/809134354.db2.gz RIYFUPWMMQEWHA-ZBFHGGJFSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)C(CC)CC)CCC[C@@H]12 ZINC001278431800 809134361 /nfs/dbraw/zinc/13/43/61/809134361.db2.gz RIYFUPWMMQEWHA-ZBFHGGJFSA-N 1 1 298.858 3.288 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C=C2CCC2)[C@H]1C ZINC001278505380 809138769 /nfs/dbraw/zinc/13/87/69/809138769.db2.gz JDRNHGRCPQHYND-ZBFHGGJFSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C2(F)CCCC2)[C@@H]1C ZINC001278516342 809139503 /nfs/dbraw/zinc/13/95/03/809139503.db2.gz RBFURTTVDZDCKQ-GJZGRUSLSA-N 1 1 296.430 3.204 20 30 CGEDMO CC#CC[N@H+](C)CCN(C(=O)[C@@H](CC)CCC)C(C)C ZINC001278926244 809156734 /nfs/dbraw/zinc/15/67/34/809156734.db2.gz FAHXYOSMEGBHBC-INIZCTEOSA-N 1 1 280.456 3.005 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CN(C(=O)C[C@@H](C)CC(C)(C)C)C[C@H]2C1 ZINC001279396363 809172286 /nfs/dbraw/zinc/17/22/86/809172286.db2.gz VEDUUMVSOWATLM-OAGGEKHMSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)C[C@@H](C)CC(C)(C)C)CC1 ZINC001279644127 809176958 /nfs/dbraw/zinc/17/69/58/809176958.db2.gz NELSTUQVUJDKJR-OAHLLOKOSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@@]1(C)C(=O)OC(C)(C)C ZINC001174874823 809184992 /nfs/dbraw/zinc/18/49/92/809184992.db2.gz VITCSJWYNLYFOO-HNNXBMFYSA-N 1 1 253.386 3.149 20 30 CGEDMO C=CCCC(=O)N1CCC[C@]2(CC[N@H+](CCC(=C)C)C2)C1 ZINC001281085752 809206090 /nfs/dbraw/zinc/20/60/90/809206090.db2.gz MLCXXWDGRANOJL-GOSISDBHSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[N@H+](CCC(C)C)CC1(C)C ZINC001281553689 809214967 /nfs/dbraw/zinc/21/49/67/809214967.db2.gz RTPRWMQRPWCGQC-OAHLLOKOSA-N 1 1 294.483 3.461 20 30 CGEDMO C#CCCCCC(=O)N[C@@H]1CC[N@@H+](CCCC=C)[C@@H](C)C1 ZINC001281660417 809216738 /nfs/dbraw/zinc/21/67/38/809216738.db2.gz XEYVTOCBPMRKOT-DLBZAZTESA-N 1 1 290.451 3.115 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCC(C)C)C[C@@H]1C ZINC001281650869 809216778 /nfs/dbraw/zinc/21/67/78/809216778.db2.gz GIHLMCGTVRETEF-KBPBESRZSA-N 1 1 286.847 3.144 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCC(C)C)C[C@@H]1C ZINC001281650869 809216782 /nfs/dbraw/zinc/21/67/82/809216782.db2.gz GIHLMCGTVRETEF-KBPBESRZSA-N 1 1 286.847 3.144 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)F)C[C@@H]1C ZINC001281645653 809217050 /nfs/dbraw/zinc/21/70/50/809217050.db2.gz ZVKTYVJWTJCLCP-GJZGRUSLSA-N 1 1 298.446 3.450 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)CCC1CCC1 ZINC001281930150 809223515 /nfs/dbraw/zinc/22/35/15/809223515.db2.gz UCWOOSDRZMVXJG-HNNXBMFYSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CCC1CCC1 ZINC001281930150 809223520 /nfs/dbraw/zinc/22/35/20/809223520.db2.gz UCWOOSDRZMVXJG-HNNXBMFYSA-N 1 1 298.858 3.242 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C12CCC(CC1)C2 ZINC001281942423 809225221 /nfs/dbraw/zinc/22/52/21/809225221.db2.gz QEGPQDHXECRHBG-PQUAAJSLSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)C1(C)CCC1 ZINC001281953425 809225292 /nfs/dbraw/zinc/22/52/92/809225292.db2.gz VEJZUSLQEDZDEA-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@](C)(C=C)CC ZINC001281956693 809226097 /nfs/dbraw/zinc/22/60/97/809226097.db2.gz JNJODMDXCZRYHC-FUHWJXTLSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCCCC[N@@H+]1CC=C(C)C ZINC001282660774 809257976 /nfs/dbraw/zinc/25/79/76/809257976.db2.gz DLQYTWGHQIXNEF-INIZCTEOSA-N 1 1 278.440 3.280 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1C[N@H+](C[C@@H](C)CC)CC1(C)C ZINC001282812379 809263722 /nfs/dbraw/zinc/26/37/22/809263722.db2.gz VEGNNQGGXRCSSQ-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1C[N@H+](CCC(C)C)CC1(C)C ZINC001282822109 809265180 /nfs/dbraw/zinc/26/51/80/809265180.db2.gz RHVXNBRKOGUAII-HNNXBMFYSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)C2CC2)C(C)(C)C1 ZINC001282833153 809265615 /nfs/dbraw/zinc/26/56/15/809265615.db2.gz ILISPENBBLDUEF-GOEBONIOSA-N 1 1 292.467 3.215 20 30 CGEDMO Cc1cn2cc(Nc3cc(F)cc(C#N)c3)ccc2[nH+]1 ZINC001175683347 809502971 /nfs/dbraw/zinc/50/29/71/809502971.db2.gz KNFQMFMUCCWMMI-UHFFFAOYSA-N 1 1 266.279 3.397 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001297373588 809516332 /nfs/dbraw/zinc/51/63/32/809516332.db2.gz YUOUGKAVPULXAN-MRXNPFEDSA-N 1 1 278.440 3.089 20 30 CGEDMO Cc1cc([C@H]2CCCC[N@@H+]2Cc2cccc(C#N)c2)[nH]n1 ZINC001176484339 809706162 /nfs/dbraw/zinc/70/61/62/809706162.db2.gz FXAYPSZMZXUXJG-QGZVFWFLSA-N 1 1 280.375 3.317 20 30 CGEDMO Cc1cc([C@H]2CCCC[N@H+]2Cc2cccc(C#N)c2)[nH]n1 ZINC001176484339 809706165 /nfs/dbraw/zinc/70/61/65/809706165.db2.gz FXAYPSZMZXUXJG-QGZVFWFLSA-N 1 1 280.375 3.317 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1C[C@H](O)CC1CCCC1 ZINC001176771663 809760080 /nfs/dbraw/zinc/76/00/80/809760080.db2.gz QKYITMAXRZQLHA-HZPDHXFCSA-N 1 1 251.414 3.358 20 30 CGEDMO C=CC[C@@H](C)N1CCCc2c3[nH+]cn(C)c3ccc21 ZINC001176921657 809768554 /nfs/dbraw/zinc/76/85/54/809768554.db2.gz PPOZPWXHXQKSFK-GFCCVEGCSA-N 1 1 255.365 3.291 20 30 CGEDMO C#Cc1ccc(C[N@@H+](CCOC)CCc2ccccc2)cc1 ZINC001179942987 809961323 /nfs/dbraw/zinc/96/13/23/809961323.db2.gz XGNKHOVUAXFGGB-UHFFFAOYSA-N 1 1 293.410 3.359 20 30 CGEDMO C#CC[N@H+](Cc1cn(-c2cccc(C)c2)nc1C)CC1CC1 ZINC001180116461 809975266 /nfs/dbraw/zinc/97/52/66/809975266.db2.gz IVJYPAASDRLKPE-UHFFFAOYSA-N 1 1 293.414 3.334 20 30 CGEDMO C[C@@H](C#N)C[N@H+](C)[C@@H](C)c1nccc2ccccc21 ZINC001180239540 809985682 /nfs/dbraw/zinc/98/56/82/809985682.db2.gz MHATZSVLWVGUGO-STQMWFEESA-N 1 1 253.349 3.387 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C)[C@@H](C)c1nccc2ccccc21 ZINC001180239540 809985686 /nfs/dbraw/zinc/98/56/86/809985686.db2.gz MHATZSVLWVGUGO-STQMWFEESA-N 1 1 253.349 3.387 20 30 CGEDMO C=CCC[C@H]([NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C)C(=O)OCC ZINC001181827635 810075173 /nfs/dbraw/zinc/07/51/73/810075173.db2.gz NAFARVGNJZXFKN-BARDWOONSA-N 1 1 267.413 3.299 20 30 CGEDMO C=CCN(C(=O)[C@H]1CCCC[N@@H+]1CC)C1CCCCC1 ZINC001181993122 810088596 /nfs/dbraw/zinc/08/85/96/810088596.db2.gz AIBDVGIJVQMGLS-MRXNPFEDSA-N 1 1 278.440 3.208 20 30 CGEDMO C#CC[N@H+](C[C@@H](C)c1cccc(Cl)c1)C1CSC1 ZINC001183419831 810148213 /nfs/dbraw/zinc/14/82/13/810148213.db2.gz TUELFEVAYFBOCK-GFCCVEGCSA-N 1 1 279.836 3.494 20 30 CGEDMO C=C(C)C[C@H]([NH2+]C1CCC(C)CC1)C(=O)OCC ZINC001183551353 810151893 /nfs/dbraw/zinc/15/18/93/810151893.db2.gz PWAYXGVPFQCFFQ-RUXDESIVSA-N 1 1 253.386 3.053 20 30 CGEDMO C#CCCCCCC[NH2+]CC(F)(F)C1(O)CCCCC1 ZINC001184276916 810187569 /nfs/dbraw/zinc/18/75/69/810187569.db2.gz IPZJUMGGABINFY-UHFFFAOYSA-N 1 1 287.394 3.490 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCC(C)C)[C@@H]2C1 ZINC001186784918 810360895 /nfs/dbraw/zinc/36/08/95/810360895.db2.gz FQLUACFXQRMCSQ-IXDOHACOSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCCC)[C@@H]2C1 ZINC001186885777 810370692 /nfs/dbraw/zinc/37/06/92/810370692.db2.gz RWWHUOJTVMDQTO-HRCADAONSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)CCCC)[C@@H]2C1 ZINC001187749996 810422630 /nfs/dbraw/zinc/42/26/30/810422630.db2.gz LJYRTHMCBYEZLR-VHDGCEQUSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)CCCC)[C@@H]2C1 ZINC001187749996 810422635 /nfs/dbraw/zinc/42/26/35/810422635.db2.gz LJYRTHMCBYEZLR-VHDGCEQUSA-N 1 1 298.858 3.098 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)CCC)C1 ZINC001188635558 810497678 /nfs/dbraw/zinc/49/76/78/810497678.db2.gz ZZSCUTCZDQEWRZ-OAHLLOKOSA-N 1 1 268.445 3.290 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)c2cccs2)C1 ZINC001188702598 810505115 /nfs/dbraw/zinc/50/51/15/810505115.db2.gz QUFXMFZLZGOAAM-KGLIPLIRSA-N 1 1 292.448 3.249 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)C=C(C)C)C1 ZINC001188716463 810508181 /nfs/dbraw/zinc/50/81/81/810508181.db2.gz GNOJYHJWUXQSNG-MRXNPFEDSA-N 1 1 280.456 3.456 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C2CCCCCC2)C1 ZINC001189278885 810554489 /nfs/dbraw/zinc/55/44/89/810554489.db2.gz FGUBLQGAXPWUQK-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]([N@@H+](C)CCCC2CCCC2)C1 ZINC001189279197 810554658 /nfs/dbraw/zinc/55/46/58/810554658.db2.gz HVVFRWXMNKHSME-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)/C=C\C(C)(C)C)C1 ZINC001189438238 810569543 /nfs/dbraw/zinc/56/95/43/810569543.db2.gz QCZIBHOETOPRNS-YYRKOSNBSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](CC)C(C)(C)C)[C@@H]2C1 ZINC001189780493 810589909 /nfs/dbraw/zinc/58/99/09/810589909.db2.gz XAUDKIXUQGFJDI-HRCADAONSA-N 1 1 292.467 3.168 20 30 CGEDMO C#CCCCC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)c2ccccc2)C1 ZINC001189927308 810594778 /nfs/dbraw/zinc/59/47/78/810594778.db2.gz XIFABTHJYOXCKB-FUHWJXTLSA-N 1 1 298.430 3.084 20 30 CGEDMO C#CCCCC(=O)N1CC[C@H]([N@H+](C)[C@H](C)c2ccccc2)C1 ZINC001189927307 810595435 /nfs/dbraw/zinc/59/54/35/810595435.db2.gz XIFABTHJYOXCKB-AEFFLSMTSA-N 1 1 298.430 3.084 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)C(C)(C)C)[C@@H]2C1 ZINC001189953147 810598034 /nfs/dbraw/zinc/59/80/34/810598034.db2.gz KYQKXIXXWJAGIW-HRCADAONSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[C@@H]([N@H+](C)C[C@H](C)CC)C1 ZINC001190353931 810621062 /nfs/dbraw/zinc/62/10/62/810621062.db2.gz DWGHKIPGHIKMQD-NVXWUHKLSA-N 1 1 292.467 3.334 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]([N@@H+](C)CCC(C)(C)C)C1 ZINC001190429278 810628519 /nfs/dbraw/zinc/62/85/19/810628519.db2.gz ZPIYREMBKFBOJQ-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CC[N@H+](Cc1ccc(F)cc1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC001190707779 810644468 /nfs/dbraw/zinc/64/44/68/810644468.db2.gz MNUABFBTNQGHHD-MUJYYYPQSA-N 1 1 257.352 3.307 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@](C)(F)CCCC)C1 ZINC001191040936 810665492 /nfs/dbraw/zinc/66/54/92/810665492.db2.gz NFKAYIYPLOBZFX-NVXWUHKLSA-N 1 1 298.446 3.404 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C2(F)CCCC2)C1 ZINC001191061920 810668762 /nfs/dbraw/zinc/66/87/62/810668762.db2.gz NWTROIPRKBZTEW-LSDHHAIUSA-N 1 1 296.430 3.156 20 30 CGEDMO CCCCCCCCNC(=O)N[C@@H]1CCC[N@@H+](C)CC1 ZINC001191074307 810670971 /nfs/dbraw/zinc/67/09/71/810670971.db2.gz RHFYEPVSCNKUKP-OAHLLOKOSA-N 1 1 283.460 3.130 20 30 CGEDMO CCCCCCCNC(=O)N[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001191123592 810679892 /nfs/dbraw/zinc/67/98/92/810679892.db2.gz QJQDCFISNTWLPB-INIZCTEOSA-N 1 1 295.471 3.130 20 30 CGEDMO CCCCCCCNC(=O)N[C@@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001191122221 810680042 /nfs/dbraw/zinc/68/00/42/810680042.db2.gz UUMIVFWDYHDMMX-HZPDHXFCSA-N 1 1 297.487 3.375 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]([N@H+](C)C[C@H](C)CC(C)C)C1 ZINC001191720807 810732977 /nfs/dbraw/zinc/73/29/77/810732977.db2.gz UYFAZGIWMMMIEP-CVEARBPZSA-N 1 1 294.483 3.414 20 30 CGEDMO C#CCCCCCC(=O)N1CC[C@@H]([N@H+](C)C[C@@H](C)CC)C1 ZINC001191754058 810736283 /nfs/dbraw/zinc/73/62/83/810736283.db2.gz KIXZFRSCNQNDPG-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)C2(CCC)CCC2)C1 ZINC001191858943 810752548 /nfs/dbraw/zinc/75/25/48/810752548.db2.gz FTVJEEDMZGEYRB-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)CCC)C1 ZINC001192113638 810769896 /nfs/dbraw/zinc/76/98/96/810769896.db2.gz GLTDYUXJZIMNOZ-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001192239279 810780412 /nfs/dbraw/zinc/78/04/12/810780412.db2.gz UMCRRRADOLXJGF-JZXOWHBKSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C2CC3(CC3)C2)C1 ZINC001192294681 810783910 /nfs/dbraw/zinc/78/39/10/810783910.db2.gz NVRPBZLQZZILNN-HOCLYGCPSA-N 1 1 290.451 3.064 20 30 CGEDMO CC#CC[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001192501568 810803972 /nfs/dbraw/zinc/80/39/72/810803972.db2.gz OKNPIBCOOUBNGK-CVEARBPZSA-N 1 1 292.467 3.005 20 30 CGEDMO CC(C)[C@H]1CCCCC[N@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001192654385 810812861 /nfs/dbraw/zinc/81/28/61/810812861.db2.gz YCIKMWDLWAGRSA-QZTJIDSGSA-N 1 1 286.419 3.492 20 30 CGEDMO C[C@@H]([NH2+]Cc1cncc(C#N)c1)c1ccc(F)cc1F ZINC001192824652 810823579 /nfs/dbraw/zinc/82/35/79/810823579.db2.gz RXPROYZOYDIGJY-SNVBAGLBSA-N 1 1 273.286 3.082 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)CC(C)C)C1 ZINC001193349918 810876031 /nfs/dbraw/zinc/87/60/31/810876031.db2.gz MDNHAAWEAATGPT-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC001193713408 810940598 /nfs/dbraw/zinc/94/05/98/810940598.db2.gz GIRIUFIJCCNNQG-UGSOOPFHSA-N 1 1 286.419 3.158 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(CC)CC)C1 ZINC001194143797 811021644 /nfs/dbraw/zinc/02/16/44/811021644.db2.gz CYBSOIYMEWMQJX-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CCCCCCC[N@H+]1CCOc2cc(O)ccc2C1 ZINC001194242828 811041138 /nfs/dbraw/zinc/04/11/38/811041138.db2.gz ZHLSWOUTFOWPTA-UHFFFAOYSA-N 1 1 273.376 3.170 20 30 CGEDMO C=C(C)CC[N@H+]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001195115732 811205191 /nfs/dbraw/zinc/20/51/91/811205191.db2.gz WKFVWENKBOPRJT-INIZCTEOSA-N 1 1 258.409 3.159 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@H](CC)SC)CC1 ZINC001195488643 811260300 /nfs/dbraw/zinc/26/03/00/811260300.db2.gz SRSVYIPJRAOPBB-CABCVRRESA-N 1 1 298.496 3.017 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H](CC)SC)CC1 ZINC001195488645 811260684 /nfs/dbraw/zinc/26/06/84/811260684.db2.gz SRSVYIPJRAOPBB-HUUCEWRRSA-N 1 1 298.496 3.017 20 30 CGEDMO C=CCCC[N@H+]1CCCN(C(=O)C(CC=C)CC=C)CC1 ZINC001195966369 811305142 /nfs/dbraw/zinc/30/51/42/811305142.db2.gz ALQSKZVVWJUQMM-UHFFFAOYSA-N 1 1 290.451 3.255 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCC[N@H+](C[C@@H](C)CC)CC1 ZINC001195966402 811305279 /nfs/dbraw/zinc/30/52/79/811305279.db2.gz BRYFGKNHFZPWQE-INIZCTEOSA-N 1 1 292.467 3.335 20 30 CGEDMO C#CCC[N@@H+]1CCCN(C(=O)CCCC[C@@H](C)CC)CC1 ZINC001195982035 811307030 /nfs/dbraw/zinc/30/70/30/811307030.db2.gz MKOJBEMYDXTGFJ-KRWDZBQOSA-N 1 1 292.467 3.151 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[N@H+](CC/C=C/CC)CC1 ZINC001195990446 811309628 /nfs/dbraw/zinc/30/96/28/811309628.db2.gz TXODPOKRFRMNSC-BQYQJAHWSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CC[C@H](C(=O)OC)[N@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC001196411197 811342028 /nfs/dbraw/zinc/34/20/28/811342028.db2.gz ZSCLWRACDAFYGX-HZPDHXFCSA-N 1 1 279.424 3.396 20 30 CGEDMO C#CCCCCCC[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC001196537342 811351313 /nfs/dbraw/zinc/35/13/13/811351313.db2.gz XDNCHULJMRSFRE-UHFFFAOYSA-N 1 1 273.424 3.378 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC[N@@H+](CCC(C)C)CC1 ZINC001196895034 811378949 /nfs/dbraw/zinc/37/89/49/811378949.db2.gz FBCAYZWWPBSOLK-INIZCTEOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[N@@H+](CCC(C)C)CC1 ZINC001196895035 811379226 /nfs/dbraw/zinc/37/92/26/811379226.db2.gz FBCAYZWWPBSOLK-MRXNPFEDSA-N 1 1 280.456 3.169 20 30 CGEDMO C[N@@H+](CCOC1CCCCC1)CCc1cccc(C#N)c1 ZINC001197116584 811400200 /nfs/dbraw/zinc/40/02/00/811400200.db2.gz SNQCTFLINGGYFD-UHFFFAOYSA-N 1 1 286.419 3.382 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)[C@@H](F)CCCCCC)CC1 ZINC001197824237 811455483 /nfs/dbraw/zinc/45/54/83/811455483.db2.gz MEQQQGVVSZWUAS-INIZCTEOSA-N 1 1 298.446 3.405 20 30 CGEDMO C=CC[N@H+]1CCCN(C(=O)[C@H](F)CCCCCC)CC1 ZINC001197842079 811456752 /nfs/dbraw/zinc/45/67/52/811456752.db2.gz DUBYWDUKCCAPFG-OAHLLOKOSA-N 1 1 284.419 3.015 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)[C@H](F)CCCCCC)CC1 ZINC001197842079 811456757 /nfs/dbraw/zinc/45/67/57/811456757.db2.gz DUBYWDUKCCAPFG-OAHLLOKOSA-N 1 1 284.419 3.015 20 30 CGEDMO C#CC[N@H+]1CCCN(C(=O)[C@@](C)(CC)CCCCC)CC1 ZINC001198296744 811490345 /nfs/dbraw/zinc/49/03/45/811490345.db2.gz WEXFNPVRPFQVNF-SFHVURJKSA-N 1 1 292.467 3.151 20 30 CGEDMO C#CC[N@@H+]1CCCN(C(=O)[C@@](C)(CC)CCCCC)CC1 ZINC001198296744 811490350 /nfs/dbraw/zinc/49/03/50/811490350.db2.gz WEXFNPVRPFQVNF-SFHVURJKSA-N 1 1 292.467 3.151 20 30 CGEDMO C=CCC[C@H]1CCC[N@H+]1Cc1nc(C2CCC2)no1 ZINC001198414399 811498880 /nfs/dbraw/zinc/49/88/80/811498880.db2.gz QBLOIZKPSHKMPL-ZDUSSCGKSA-N 1 1 261.369 3.268 20 30 CGEDMO C=CCCC[N@H+](CC)C[C@](C)(O)c1ccc(F)cc1 ZINC001198458616 811505313 /nfs/dbraw/zinc/50/53/13/811505313.db2.gz XEJSIDGBFJSSTG-INIZCTEOSA-N 1 1 265.372 3.321 20 30 CGEDMO C#C[C@@H]1CCCC[N@@H+]1Cc1cnc(N(C)C)c2ccccc12 ZINC001198525509 811511985 /nfs/dbraw/zinc/51/19/85/811511985.db2.gz NFJGCDVCWFVYCU-MRXNPFEDSA-N 1 1 293.414 3.289 20 30 CGEDMO CC#CC[N@H+](CCC)C1CCN(Cc2ccccc2)CC1 ZINC001198640297 811527893 /nfs/dbraw/zinc/52/78/93/811527893.db2.gz BCQZMWCHNAFWOM-UHFFFAOYSA-N 1 1 284.447 3.386 20 30 CGEDMO C=CCOc1cccc(CNC[C@@H]2CCC[N@@H+](CC)C2)c1 ZINC001199844160 811602787 /nfs/dbraw/zinc/60/27/87/811602787.db2.gz WKXRMLJHTAUIGQ-KRWDZBQOSA-N 1 1 288.435 3.073 20 30 CGEDMO C=CCOc1cccc(CNC[C@@H]2CCC[N@H+](CC)C2)c1 ZINC001199844160 811602796 /nfs/dbraw/zinc/60/27/96/811602796.db2.gz WKXRMLJHTAUIGQ-KRWDZBQOSA-N 1 1 288.435 3.073 20 30 CGEDMO C=CCN1C(=O)CC[C@@]12CCC[N@H+](C[C@H](C)CCC)CC2 ZINC001201543695 811895577 /nfs/dbraw/zinc/89/55/77/811895577.db2.gz JMUHFVZRMIPDHC-SJLPKXTDSA-N 1 1 292.467 3.456 20 30 CGEDMO Cc1cn2cc(Nc3ccc(C#N)cc3F)ccc2[nH+]1 ZINC001201560811 811903298 /nfs/dbraw/zinc/90/32/98/811903298.db2.gz BTEMLOSLTSSZBV-UHFFFAOYSA-N 1 1 266.279 3.397 20 30 CGEDMO CCCCCCC[NH+]1CCN(c2nccnc2Cl)CC1 ZINC001201761742 811963474 /nfs/dbraw/zinc/96/34/74/811963474.db2.gz QNFDRLJRWMQTSV-UHFFFAOYSA-N 1 1 296.846 3.222 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H](C)C[C@H](C(=O)OC)C1 ZINC001201787753 811964752 /nfs/dbraw/zinc/96/47/52/811964752.db2.gz KRJQEILQXJOYRQ-KGLIPLIRSA-N 1 1 255.402 3.088 20 30 CGEDMO CCCCCCCC[N@H+]1[C@H]2CC[C@H](C2)[C@H]1C(=O)OC ZINC001201839807 811969934 /nfs/dbraw/zinc/96/99/34/811969934.db2.gz JVTQAFSZNDFVRC-ILXRZTDVSA-N 1 1 267.413 3.373 20 30 CGEDMO CCCCCCCCCC[N@@H+](C)CC(=O)NCC ZINC001201852507 811972820 /nfs/dbraw/zinc/97/28/20/811972820.db2.gz AVZAIOZTPQMNDP-UHFFFAOYSA-N 1 1 256.434 3.195 20 30 CGEDMO CCCCCCCCCC[N@H+]1C[C@@H]2COC[C@H](C1)C2=O ZINC001201874839 811974147 /nfs/dbraw/zinc/97/41/47/811974147.db2.gz ITOKHRDOCYVYNK-IYBDPMFKSA-N 1 1 281.440 3.274 20 30 CGEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](CCC(C)(C)C)C2 ZINC001202077847 812012070 /nfs/dbraw/zinc/01/20/70/812012070.db2.gz MJRWVPUFLDQNGC-RDJZCZTQSA-N 1 1 281.440 3.249 20 30 CGEDMO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](CC1CCCC1)C2 ZINC001202140073 812024855 /nfs/dbraw/zinc/02/48/55/812024855.db2.gz VKYGHFAOVSDDPV-SFHVURJKSA-N 1 1 290.451 3.210 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(CC)cc1 ZINC001202946214 812207753 /nfs/dbraw/zinc/20/77/53/812207753.db2.gz MHCMBPCHOURVJV-INIZCTEOSA-N 1 1 287.407 3.021 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCc3cc(C#N)ccc3C2)o1 ZINC001203290556 812294610 /nfs/dbraw/zinc/29/46/10/812294610.db2.gz KMXWRMJRJASOBX-UHFFFAOYSA-N 1 1 252.317 3.018 20 30 CGEDMO Cc1ccc(C[N@H+]2CCc3cc(C#N)ccc3C2)o1 ZINC001203290556 812294613 /nfs/dbraw/zinc/29/46/13/812294613.db2.gz KMXWRMJRJASOBX-UHFFFAOYSA-N 1 1 252.317 3.018 20 30 CGEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001203309191 812305864 /nfs/dbraw/zinc/30/58/64/812305864.db2.gz NFVGNIOEYGXDNO-ZWKOTPCHSA-N 1 1 287.403 3.013 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)CCC1(F)F ZINC001203756936 812454771 /nfs/dbraw/zinc/45/47/71/812454771.db2.gz FPNGDIJPYSYVRI-GFCCVEGCSA-N 1 1 264.319 3.425 20 30 CGEDMO CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccccc1O ZINC001203764327 812457708 /nfs/dbraw/zinc/45/77/08/812457708.db2.gz MLGJADRWPXCPCC-UHFFFAOYSA-N 1 1 266.344 3.286 20 30 CGEDMO C[N@@H+](CC/C=C/c1cccnc1)Cc1ccc(C#N)cc1 ZINC001203905205 812487601 /nfs/dbraw/zinc/48/76/01/812487601.db2.gz WJNLDCRGYQBJHV-GORDUTHDSA-N 1 1 277.371 3.489 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)cc1 ZINC001203904096 812487710 /nfs/dbraw/zinc/48/77/10/812487710.db2.gz VOERKVDMEAVROM-GOSISDBHSA-N 1 1 296.345 3.351 20 30 CGEDMO CN1CCC([N@@H+](Cc2ccc(C#N)cc2)C2CCCC2)CC1 ZINC001203906887 812487752 /nfs/dbraw/zinc/48/77/52/812487752.db2.gz FICHFSZXTHFIEP-UHFFFAOYSA-N 1 1 297.446 3.397 20 30 CGEDMO Cc1ccsc1C[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001204019251 812523147 /nfs/dbraw/zinc/52/31/47/812523147.db2.gz TZRZAMDNHOLEDD-UHFFFAOYSA-N 1 1 268.385 3.487 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1ccnc2ccccc12 ZINC001204087686 812546415 /nfs/dbraw/zinc/54/64/15/812546415.db2.gz GWXCWXHHQLBUKX-UHFFFAOYSA-N 1 1 253.349 3.360 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1ccnc2ccccc12 ZINC001204087686 812546420 /nfs/dbraw/zinc/54/64/20/812546420.db2.gz GWXCWXHHQLBUKX-UHFFFAOYSA-N 1 1 253.349 3.360 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@H](C#N)CC2)c(OC)c1C ZINC001204262815 812591664 /nfs/dbraw/zinc/59/16/64/812591664.db2.gz FKXITNRMNTYWTC-AWEZNQCLSA-N 1 1 288.391 3.138 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001204366827 812620926 /nfs/dbraw/zinc/62/09/26/812620926.db2.gz WOGSJIJUPWYFEJ-ZDUSSCGKSA-N 1 1 268.282 3.127 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001204366827 812620931 /nfs/dbraw/zinc/62/09/31/812620931.db2.gz WOGSJIJUPWYFEJ-ZDUSSCGKSA-N 1 1 268.282 3.127 20 30 CGEDMO CC[N@@H+](Cc1ccccc1O)Cc1ccccc1C#N ZINC001204373399 812622715 /nfs/dbraw/zinc/62/27/15/812622715.db2.gz RYADNJDQBITUPN-UHFFFAOYSA-N 1 1 266.344 3.286 20 30 CGEDMO C=CC[N@H+](Cc1c2ccccc2[nH]c1C(=O)OC)C(C)C ZINC001204441236 812640462 /nfs/dbraw/zinc/64/04/62/812640462.db2.gz HFVQJFFAGXYKEC-UHFFFAOYSA-N 1 1 286.375 3.351 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@H]2Cc2ccccn2)ccc1F ZINC001205479192 812989269 /nfs/dbraw/zinc/98/92/69/812989269.db2.gz VUODVOSFTCQPBG-KRWDZBQOSA-N 1 1 295.361 3.299 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@H](C(F)F)C2)ccc1F ZINC001205493845 812990898 /nfs/dbraw/zinc/99/08/98/812990898.db2.gz VONNINYQYSMQJO-NSHDSACASA-N 1 1 268.282 3.174 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@H](C(F)F)C2)ccc1F ZINC001205493845 812990901 /nfs/dbraw/zinc/99/09/01/812990901.db2.gz VONNINYQYSMQJO-NSHDSACASA-N 1 1 268.282 3.174 20 30 CGEDMO CC(C)(C)[C@@]1(CNCCC#N)CC[N@@H+](Cc2ccccc2)C1 ZINC001205561768 813004705 /nfs/dbraw/zinc/00/47/05/813004705.db2.gz JXQNPLLHUCPSCA-LJQANCHMSA-N 1 1 299.462 3.428 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OCCCC#N ZINC001205622381 813031002 /nfs/dbraw/zinc/03/10/02/813031002.db2.gz SUUZNPQIIAVWOS-NVXWUHKLSA-N 1 1 272.392 3.217 20 30 CGEDMO C[C@H]1CN(Cc2cccc(Cl)c2C#N)CCC[C@H]1C[NH3+] ZINC001206003211 813160764 /nfs/dbraw/zinc/16/07/64/813160764.db2.gz FUTQBVQDAXYTNY-STQMWFEESA-N 1 1 291.826 3.018 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCCC)C1 ZINC001206018592 813167621 /nfs/dbraw/zinc/16/76/21/813167621.db2.gz SZPLXRUBJQDVQM-BZUAXINKSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@](N)(C(F)(F)F)C2)CC1 ZINC001206209463 813241169 /nfs/dbraw/zinc/24/11/69/813241169.db2.gz FMASLPUULNDKMN-ZIAGYGMSSA-N 1 1 288.357 3.255 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)s1 ZINC001206342569 813296096 /nfs/dbraw/zinc/29/60/96/813296096.db2.gz LJUSYADOTDWHFU-UHFFFAOYSA-N 1 1 296.754 3.408 20 30 CGEDMO C=CCOc1ccccc1CN1CCCC[C@@](C)(C[NH3+])C1 ZINC001206550270 813349173 /nfs/dbraw/zinc/34/91/73/813349173.db2.gz YXZHQIFGZOVMJS-SFHVURJKSA-N 1 1 288.435 3.202 20 30 CGEDMO C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1OCCCN1CC[NH+](C)CC1 ZINC001206594931 813368437 /nfs/dbraw/zinc/36/84/37/813368437.db2.gz CUUIUAVZOMCLNO-BZSNNMDCSA-N 1 1 294.483 3.021 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C(C)C)C1 ZINC001207131620 813494438 /nfs/dbraw/zinc/49/44/38/813494438.db2.gz GRMWCCJNVCYCBH-BZUAXINKSA-N 1 1 294.483 3.460 20 30 CGEDMO CN(C)CC(C)(C)C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001207288764 813536376 /nfs/dbraw/zinc/53/63/76/813536376.db2.gz VEKWYAWRNPRHAB-UHFFFAOYSA-N 1 1 299.462 3.325 20 30 CGEDMO CC1(C)C[C@H](C[N@H+]2CCc3ccc(C#N)cc3C2)CCO1 ZINC001207354088 813548183 /nfs/dbraw/zinc/54/81/83/813548183.db2.gz QSUIMUOEJFFXKM-OAHLLOKOSA-N 1 1 284.403 3.122 20 30 CGEDMO C[N@@H+](CCC#N)C[C@H]1CC=C(CCCC(C)(C)O)CC1 ZINC001207402832 813557922 /nfs/dbraw/zinc/55/79/22/813557922.db2.gz OOWARVNNSXEUNL-INIZCTEOSA-N 1 1 278.440 3.500 20 30 CGEDMO C=CCC[N@H+](Cc1ccccc1)C[C@@H]1CCCOC1 ZINC001207467195 813569844 /nfs/dbraw/zinc/56/98/44/813569844.db2.gz CAKSNKDAHUBBJB-KRWDZBQOSA-N 1 1 259.393 3.491 20 30 CGEDMO C#C[C@H]1CCC[N@H+](CC[C@@H](C)CCCC(C)(C)O)C1 ZINC001207679020 813634408 /nfs/dbraw/zinc/63/44/08/813634408.db2.gz UNJNRRLMAGQQLO-HOTGVXAUSA-N 1 1 265.441 3.299 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1c(C)cc(OC)nc1C ZINC001207735469 813641476 /nfs/dbraw/zinc/64/14/76/813641476.db2.gz GWMAKZKROARQNS-UHFFFAOYSA-N 1 1 262.397 3.495 20 30 CGEDMO C=CC[N@H+](C[C@H]1CCCN(C)C1)C1CCCCC1 ZINC001208619593 813777335 /nfs/dbraw/zinc/77/73/35/813777335.db2.gz YHHBIPHBZHGZTD-HNNXBMFYSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](CCC1CC1)[C@@H]2CC ZINC001208681240 813793380 /nfs/dbraw/zinc/79/33/80/813793380.db2.gz QSOYJKVSPQXBTC-AEFFLSMTSA-N 1 1 290.451 3.208 20 30 CGEDMO N#Cc1cccc(CCC[N@H+]2CC[C@@H](c3ccncc3)C2)c1 ZINC001208852663 813866692 /nfs/dbraw/zinc/86/66/92/813866692.db2.gz PKHKHDXDHGLITE-LJQANCHMSA-N 1 1 291.398 3.375 20 30 CGEDMO COC(C)(C)[C@@H]1CCC[N@H+]1CCCc1cccc(C#N)c1 ZINC001208853313 813867055 /nfs/dbraw/zinc/86/70/55/813867055.db2.gz IDLLXDFDRANGOW-KRWDZBQOSA-N 1 1 286.419 3.380 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCc2ccc(C#N)cc2)C2(CC2)C1 ZINC001208864106 813870896 /nfs/dbraw/zinc/87/08/96/813870896.db2.gz INWXBSFCMGBZAJ-AWEZNQCLSA-N 1 1 254.377 3.365 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCc2ccc(C#N)cc2)C1 ZINC001208862318 813872752 /nfs/dbraw/zinc/87/27/52/813872752.db2.gz IDGWYYVYETYMLS-GASCZTMLSA-N 1 1 256.393 3.469 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001208877546 813876925 /nfs/dbraw/zinc/87/69/25/813876925.db2.gz LYOFQOYAGMVIMT-ARFHVFGLSA-N 1 1 294.483 3.461 20 30 CGEDMO CC1(C[N@H+]2CCC3SC(=O)C=C3C2)CCCCC1 ZINC001208896596 813885640 /nfs/dbraw/zinc/88/56/40/813885640.db2.gz NAXWBYTXALYJDF-CYBMUJFWSA-N 1 1 265.422 3.231 20 30 CGEDMO C=CCOC(=O)N[C@H]1CCC[N@H+](CC2(C)CCCCC2)C1 ZINC001208907499 813894234 /nfs/dbraw/zinc/89/42/34/813894234.db2.gz KBIFGKQSERUKMF-HNNXBMFYSA-N 1 1 294.439 3.333 20 30 CGEDMO N#C[C@H]1CC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC001209118193 813939920 /nfs/dbraw/zinc/93/99/20/813939920.db2.gz RQTXQNBCRWUOOL-GFCCVEGCSA-N 1 1 268.282 3.093 20 30 CGEDMO N#C[C@H]1CC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC001209118193 813939925 /nfs/dbraw/zinc/93/99/25/813939925.db2.gz RQTXQNBCRWUOOL-GFCCVEGCSA-N 1 1 268.282 3.093 20 30 CGEDMO CC(=O)OC(C)(C)CCC[N@H+](C)Cc1ccc(C#N)cc1 ZINC001209154588 813950213 /nfs/dbraw/zinc/95/02/13/813950213.db2.gz OYXHCYBZBQXYEN-UHFFFAOYSA-N 1 1 288.391 3.112 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@](O)(C(F)(F)F)[C@H](C)C1 ZINC001209200424 813965281 /nfs/dbraw/zinc/96/52/81/813965281.db2.gz IEMXXJSNMYUYBQ-CHWSQXEVSA-N 1 1 279.346 3.368 20 30 CGEDMO C=CCCCC[N@H+]1CC[C@H](N2Cc3ccccc3C2=O)C1 ZINC001209208667 813970349 /nfs/dbraw/zinc/97/03/49/813970349.db2.gz WZZWEXJHWOOJFC-INIZCTEOSA-N 1 1 284.403 3.073 20 30 CGEDMO C#CCCC[N@H+](C)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC001209267231 813989326 /nfs/dbraw/zinc/98/93/26/813989326.db2.gz DVLARFHTZVDEAM-GJZGRUSLSA-N 1 1 294.439 3.168 20 30 CGEDMO C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001209422897 814024219 /nfs/dbraw/zinc/02/42/19/814024219.db2.gz ZSZXUCIMNDUBLA-BMFZPTHFSA-N 1 1 270.376 3.057 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C ZINC001209422535 814024622 /nfs/dbraw/zinc/02/46/22/814024622.db2.gz DXZGYBBKQNCPPX-GJZGRUSLSA-N 1 1 294.439 3.426 20 30 CGEDMO C=CCCCCC[N@H+]1Cc2ncn(C)c2[C@@H](COCC)C1 ZINC001209423320 814026991 /nfs/dbraw/zinc/02/69/91/814026991.db2.gz SBUPBBSSSUBTBQ-OAHLLOKOSA-N 1 1 291.439 3.102 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@]2(CCCN2C(=O)C(C)C)C1 ZINC001209427152 814027992 /nfs/dbraw/zinc/02/79/92/814027992.db2.gz GVJLKEQQKXWOQO-SFHVURJKSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCCCCC[N@@H+]1CCC[C@](F)(CO)CC1 ZINC001209431360 814031306 /nfs/dbraw/zinc/03/13/06/814031306.db2.gz LSUYMTAQTTVQDC-OAHLLOKOSA-N 1 1 257.393 3.309 20 30 CGEDMO C=CCCCCCC[N@@H+]1CCCC[C@@](O)(CF)C1 ZINC001209431463 814031643 /nfs/dbraw/zinc/03/16/43/814031643.db2.gz OPTDCVHLTOLWQF-OAHLLOKOSA-N 1 1 257.393 3.309 20 30 CGEDMO C=CCCCCCC[N@@H+]1CCC[C@@](C)(C(=O)OC)C1 ZINC001209435630 814037221 /nfs/dbraw/zinc/03/72/21/814037221.db2.gz GXMFJKCKCCTGGR-MRXNPFEDSA-N 1 1 267.413 3.398 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CCCN(C(=O)OC)CC1 ZINC001209438599 814039100 /nfs/dbraw/zinc/03/91/00/814039100.db2.gz OXSJRKMUGRPSAN-UHFFFAOYSA-N 1 1 282.428 3.287 20 30 CGEDMO C=CCCCCCC[N@H+]1CCC[C@@H](NC(=O)OCC=C)C1 ZINC001209438298 814039406 /nfs/dbraw/zinc/03/94/06/814039406.db2.gz IWRYCYYLBJFGKU-MRXNPFEDSA-N 1 1 294.439 3.500 20 30 CGEDMO C=CCCCCCC[N@H+](C)[C@H](C(=O)OC)C(C)C ZINC001209440298 814040031 /nfs/dbraw/zinc/04/00/31/814040031.db2.gz FUPGXFYUSKNGSC-AWEZNQCLSA-N 1 1 255.402 3.252 20 30 CGEDMO C=CCCCCCCCC[N@H+]1CC[C@H]1C(=O)OC ZINC001209443307 814042720 /nfs/dbraw/zinc/04/27/20/814042720.db2.gz QGGMZVZVDHJFKP-AWEZNQCLSA-N 1 1 253.386 3.150 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CC[C@H]1C(=O)OC ZINC001209443307 814042729 /nfs/dbraw/zinc/04/27/29/814042729.db2.gz QGGMZVZVDHJFKP-AWEZNQCLSA-N 1 1 253.386 3.150 20 30 CGEDMO Cc1ccc2[nH]cc(C[N@@H+]3CCC[C@@H](C#N)C3)c2c1 ZINC001209495436 814061838 /nfs/dbraw/zinc/06/18/38/814061838.db2.gz UXLNBGMPUHKRMV-ZDUSSCGKSA-N 1 1 253.349 3.212 20 30 CGEDMO Cc1ccc2[nH]cc(C[N@H+]3CCC[C@@H](C#N)C3)c2c1 ZINC001209495436 814061843 /nfs/dbraw/zinc/06/18/43/814061843.db2.gz UXLNBGMPUHKRMV-ZDUSSCGKSA-N 1 1 253.349 3.212 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001210179072 814323226 /nfs/dbraw/zinc/32/32/26/814323226.db2.gz HNSVTXZKNCAUGW-BFYDXBDKSA-N 1 1 292.467 3.215 20 30 CGEDMO N#Cc1ncc(F)cc1N=C1CCC([NH+]2CCCC2)CC1 ZINC001210708062 814591459 /nfs/dbraw/zinc/59/14/59/814591459.db2.gz HVGRJUWDNXTNET-AWEZNQCLSA-N 1 1 286.354 3.036 20 30 CGEDMO CCCCCCc1nnc([C@@H]([NH3+])Cc2ccc(C#N)cc2)o1 ZINC001217711210 815946521 /nfs/dbraw/zinc/94/65/21/815946521.db2.gz KAZFCBNJPYVFSF-HNNXBMFYSA-N 1 1 298.390 3.307 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)CCCC)[C@@H]2C1 ZINC001221302178 816309967 /nfs/dbraw/zinc/30/99/67/816309967.db2.gz JAVKZAWJORQUSM-GVDBMIGSSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC(=O)N1C[C@H]2CC[N@H+](C[C@@H](C)CC(C)C)C[C@H]21 ZINC001221429037 816313102 /nfs/dbraw/zinc/31/31/02/816313102.db2.gz FFCKNMJQVZIUMJ-GVDBMIGSSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CC(C)(C)CC)[C@@H]2C1 ZINC001221577745 816320763 /nfs/dbraw/zinc/32/07/63/816320763.db2.gz DMZRCZQRGFUZLH-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CCC(=O)N1C[C@H]2CC[N@H+](CCCC(C)C)C[C@H]21 ZINC001221584836 816321081 /nfs/dbraw/zinc/32/10/81/816321081.db2.gz FWHIRHBJHUIZMT-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCC(=O)N1C[C@H]2CC[N@H+](CC(CC)CC)C[C@H]21 ZINC001221782775 816327883 /nfs/dbraw/zinc/32/78/83/816327883.db2.gz MNPJQCYRIDEZMR-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)CC)[C@@H]2C1 ZINC001221778629 816328092 /nfs/dbraw/zinc/32/80/92/816328092.db2.gz RRVCHLACRPTVDF-ARFHVFGLSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCC3(C)CC3)[C@@H]2C1 ZINC001221915762 816334670 /nfs/dbraw/zinc/33/46/70/816334670.db2.gz PXSPMDMPWUCBMP-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)C3CC3)C[C@@H]21 ZINC001222161035 816365805 /nfs/dbraw/zinc/36/58/05/816365805.db2.gz IVSMUXUMEFPCFS-WBVHZDCISA-N 1 1 292.467 3.290 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)/C(C)=C/CC)C[C@@H]21 ZINC001222378232 816422226 /nfs/dbraw/zinc/42/22/26/816422226.db2.gz JAKPSUUTCDRTIO-WZQKHZFYSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]2CC[N@H+](CCC(C)(C)C)[C@H]2C1 ZINC001222432780 816444043 /nfs/dbraw/zinc/44/40/43/816444043.db2.gz YLRSGRHUFAYOBP-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OCC1(C#N)CC1 ZINC001224952753 816917193 /nfs/dbraw/zinc/91/71/93/816917193.db2.gz NRLVKXIJBFSSBL-NVXWUHKLSA-N 1 1 284.403 3.217 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OCC1(C#N)CC1 ZINC001224952754 816917379 /nfs/dbraw/zinc/91/73/79/816917379.db2.gz NRLVKXIJBFSSBL-RDJZCZTQSA-N 1 1 284.403 3.217 20 30 CGEDMO C[N@@H+]1CCC[C@@H](Oc2c(Cl)cc(C#N)cc2Cl)C1 ZINC001226583623 817404343 /nfs/dbraw/zinc/40/43/43/817404343.db2.gz AECHSEJDPJFJAB-SNVBAGLBSA-N 1 1 285.174 3.338 20 30 CGEDMO C[N@H+]1CCC[C@@H](Oc2c(Cl)cc(C#N)cc2Cl)C1 ZINC001226583623 817404347 /nfs/dbraw/zinc/40/43/47/817404347.db2.gz AECHSEJDPJFJAB-SNVBAGLBSA-N 1 1 285.174 3.338 20 30 CGEDMO Cc1cc(C#N)cc(Cl)c1O[C@H]1CCC[N@H+](C)CC1 ZINC001226595985 817410146 /nfs/dbraw/zinc/41/01/46/817410146.db2.gz SZBUVDCCJQGSRB-ZDUSSCGKSA-N 1 1 278.783 3.383 20 30 CGEDMO CC[N@H+]1CCC[C@@H](Oc2cc(C)c(C#N)c(C)c2)C1 ZINC001226834363 817479447 /nfs/dbraw/zinc/47/94/47/817479447.db2.gz RQAQJYNNTVPLGC-CQSZACIVSA-N 1 1 258.365 3.038 20 30 CGEDMO Cc1c(C#N)cccc1O[C@H]1CCC[N@H+](C(C)C)C1 ZINC001228027831 817788813 /nfs/dbraw/zinc/78/88/13/817788813.db2.gz QZKGLFCSYVPEOQ-HNNXBMFYSA-N 1 1 258.365 3.118 20 30 CGEDMO C#C[C@H](CC(C)C)Oc1cc2c(cc1OC)CC[NH+]=C2 ZINC001228091641 817809838 /nfs/dbraw/zinc/80/98/38/817809838.db2.gz CVRIRIIPEYNZPI-OAHLLOKOSA-N 1 1 271.360 3.097 20 30 CGEDMO CCCc1cc(C)nc(O[C@@H]2CCC[N@@H+](CC)C2)c1C#N ZINC001228600211 817950530 /nfs/dbraw/zinc/95/05/30/817950530.db2.gz ZMWRREAMKGMGLI-OAHLLOKOSA-N 1 1 287.407 3.077 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)C1CCCCC1 ZINC001231344718 818081312 /nfs/dbraw/zinc/08/13/12/818081312.db2.gz HWPMRHRETNXAMX-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)c1cccc(F)c1 ZINC001231398072 818090800 /nfs/dbraw/zinc/09/08/00/818090800.db2.gz VDBPMYHZIXHADH-CQSZACIVSA-N 1 1 292.398 3.232 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2ccccc2C#Cc2ccccc2)C1 ZINC001231577338 818125855 /nfs/dbraw/zinc/12/58/55/818125855.db2.gz SHCJMBGNATZPGC-HXUWFJFHSA-N 1 1 291.394 3.307 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC(F)(F)C(C)(C)C1 ZINC001231616597 818137961 /nfs/dbraw/zinc/13/79/61/818137961.db2.gz FXAXUXLBSGTVHU-UHFFFAOYSA-N 1 1 294.345 3.434 20 30 CGEDMO C#Cc1cccc(C[N@H+](C)Cc2ccc3c(c2)OCCO3)c1 ZINC001231657440 818150875 /nfs/dbraw/zinc/15/08/75/818150875.db2.gz KSIISTKEVWJGHO-UHFFFAOYSA-N 1 1 293.366 3.071 20 30 CGEDMO C#Cc1cccc(C[N@@H+](C)CCc2ccc(F)cc2)c1 ZINC001231662491 818153485 /nfs/dbraw/zinc/15/34/85/818153485.db2.gz GSOTWZFHSRHJNE-UHFFFAOYSA-N 1 1 267.347 3.482 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(OC)c(OC(C)=O)c1 ZINC001231707994 818160336 /nfs/dbraw/zinc/16/03/36/818160336.db2.gz NOBNEIJEVAKXJS-UHFFFAOYSA-N 1 1 277.364 3.019 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)cc1Cl ZINC001232111681 818258228 /nfs/dbraw/zinc/25/82/28/818258228.db2.gz GAVMGJQSOKVBKE-CZUORRHYSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)cc1Cl ZINC001232111681 818258233 /nfs/dbraw/zinc/25/82/33/818258233.db2.gz GAVMGJQSOKVBKE-CZUORRHYSA-N 1 1 290.794 3.213 20 30 CGEDMO COCc1ccc(C[N@@H+](CCC#N)C2CCCC2)cc1 ZINC001232300235 818307286 /nfs/dbraw/zinc/30/72/86/818307286.db2.gz KVMXDVOADDUNBX-UHFFFAOYSA-N 1 1 272.392 3.491 20 30 CGEDMO CCOc1ccc(OC)cc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001232384240 818330714 /nfs/dbraw/zinc/33/07/14/818330714.db2.gz NVFYRMBXLXLNOM-AWEZNQCLSA-N 1 1 288.391 3.220 20 30 CGEDMO C#CC[N@H+](Cc1[nH]nc2c1CCC2)[C@@H]1CCc2ccccc21 ZINC001232429341 818349204 /nfs/dbraw/zinc/34/92/04/818349204.db2.gz MDFJEOVHGOHZHS-LJQANCHMSA-N 1 1 291.398 3.021 20 30 CGEDMO C#CC[N@@H+](Cc1[nH]nc2c1CCC2)[C@@H]1CCc2ccccc21 ZINC001232429341 818349207 /nfs/dbraw/zinc/34/92/07/818349207.db2.gz MDFJEOVHGOHZHS-LJQANCHMSA-N 1 1 291.398 3.021 20 30 CGEDMO N#Cc1ccnc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c1 ZINC001232480947 818365148 /nfs/dbraw/zinc/36/51/48/818365148.db2.gz OEAXATRLBXBHFC-CQSZACIVSA-N 1 1 281.334 3.082 20 30 CGEDMO CC1(C)C[N@H+](Cc2cc(C#N)ccn2)Cc2ccccc21 ZINC001232480008 818365446 /nfs/dbraw/zinc/36/54/46/818365446.db2.gz DXGATDFTJSDAOH-UHFFFAOYSA-N 1 1 277.371 3.247 20 30 CGEDMO CC1(C)C[N@@H+](Cc2cc(C#N)ccn2)Cc2ccccc21 ZINC001232480008 818365449 /nfs/dbraw/zinc/36/54/49/818365449.db2.gz DXGATDFTJSDAOH-UHFFFAOYSA-N 1 1 277.371 3.247 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1C[C@H]2CCCC(=O)[C@@H]2C1 ZINC001232608870 818393494 /nfs/dbraw/zinc/39/34/94/818393494.db2.gz XYGPGOAEIDRURJ-IUODEOHRSA-N 1 1 288.778 3.013 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1C[C@H]2CCCC(=O)[C@@H]2C1 ZINC001232608870 818393503 /nfs/dbraw/zinc/39/35/03/818393503.db2.gz XYGPGOAEIDRURJ-IUODEOHRSA-N 1 1 288.778 3.013 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1c[nH]c2c1cccc2C(=O)OC ZINC001232707841 818422108 /nfs/dbraw/zinc/42/21/08/818422108.db2.gz HDNOONAYNUETJB-UHFFFAOYSA-N 1 1 299.374 3.080 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1c[nH]c2c1cccc2C(=O)OC ZINC001232707841 818422110 /nfs/dbraw/zinc/42/21/10/818422110.db2.gz HDNOONAYNUETJB-UHFFFAOYSA-N 1 1 299.374 3.080 20 30 CGEDMO N#Cc1cc[nH]c1C[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC001233047094 818507905 /nfs/dbraw/zinc/50/79/05/818507905.db2.gz ONTDYGHWHVGYPX-UHFFFAOYSA-N 1 1 297.377 3.480 20 30 CGEDMO N#Cc1cc[nH]c1C[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC001233043961 818508410 /nfs/dbraw/zinc/50/84/10/818508410.db2.gz JDLUSLKDOZFNDN-INIZCTEOSA-N 1 1 279.387 3.341 20 30 CGEDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](F)CC2)c(F)c1C#N ZINC001233097544 818520765 /nfs/dbraw/zinc/52/07/65/818520765.db2.gz ULNWFGLLADNTOE-CYBMUJFWSA-N 1 1 293.361 3.087 20 30 CGEDMO C[C@H]1CCCC[N@@H+](Cc2ccc(N(C)C)c(C#N)c2F)C1 ZINC001233096714 818521741 /nfs/dbraw/zinc/52/17/41/818521741.db2.gz KMPCAURLTZDBNU-ZDUSSCGKSA-N 1 1 289.398 3.385 20 30 CGEDMO N#CC[C@@H](Oc1ccc2[nH+]ccn2c1)c1ccccc1 ZINC001233754980 818697748 /nfs/dbraw/zinc/69/77/48/818697748.db2.gz NPDVQRUSNLOFFA-OAHLLOKOSA-N 1 1 263.300 3.368 20 30 CGEDMO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC/C=C\CCC ZINC001233966625 818742750 /nfs/dbraw/zinc/74/27/50/818742750.db2.gz NPYHIFBKDFNZOL-JJEJIETFSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC(C)(C)C1CC1 ZINC001234099254 818780139 /nfs/dbraw/zinc/78/01/39/818780139.db2.gz KHUWNJNBQROLOQ-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCCCCCN1CCC2(CC[NH2+]2)CC1 ZINC001235105897 819003885 /nfs/dbraw/zinc/00/38/85/819003885.db2.gz HYRPTHYDOMZDAN-UHFFFAOYSA-N 1 1 250.430 3.341 20 30 CGEDMO C=CCCC(=O)NCCC[N@H+](C)Cc1ccc(Cl)cc1 ZINC001235436217 819099319 /nfs/dbraw/zinc/09/93/19/819099319.db2.gz ICSWMLMJOXIAPN-UHFFFAOYSA-N 1 1 294.826 3.244 20 30 CGEDMO C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccccc1CC#N ZINC001235530199 819116339 /nfs/dbraw/zinc/11/63/39/819116339.db2.gz SKJFIZSNHIVTFS-UHFFFAOYSA-N 1 1 294.354 3.113 20 30 CGEDMO CCCCCCC[N@@H+](C)C[C@H]1[C@@H](C)CNCC1(F)F ZINC001235663873 819132292 /nfs/dbraw/zinc/13/22/92/819132292.db2.gz XRNAEKZMHAPPFV-KBPBESRZSA-N 1 1 276.415 3.379 20 30 CGEDMO CCCCCCC[N@@H+](C)C[C@@H]1[C@H](C)CNCC1(F)F ZINC001235663885 819132464 /nfs/dbraw/zinc/13/24/64/819132464.db2.gz XRNAEKZMHAPPFV-ZIAGYGMSSA-N 1 1 276.415 3.379 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC12CC2 ZINC001235794509 819168596 /nfs/dbraw/zinc/16/85/96/819168596.db2.gz CYHFBPIKKGGVFS-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO CCOc1cc(C[NH+]2CCC(C)(C#N)CC2)ccc1F ZINC001235799512 819171025 /nfs/dbraw/zinc/17/10/25/819171025.db2.gz CLQHSCZGPMNYHQ-UHFFFAOYSA-N 1 1 276.355 3.350 20 30 CGEDMO C=CCCCCCC[N@@H+](CCCOC)[C@H]1CCCNC1 ZINC001235808028 819172361 /nfs/dbraw/zinc/17/23/61/819172361.db2.gz RDTROIKIJFJBIP-KRWDZBQOSA-N 1 1 282.472 3.213 20 30 CGEDMO C=CCCCCCC[N@H+](CCCOC)[C@H]1CCCNC1 ZINC001235808028 819172367 /nfs/dbraw/zinc/17/23/67/819172367.db2.gz RDTROIKIJFJBIP-KRWDZBQOSA-N 1 1 282.472 3.213 20 30 CGEDMO C(#CC1CCN(CC[C@H]2CCCC[NH2+]2)CC1)c1ccccc1 ZINC001236303889 819417094 /nfs/dbraw/zinc/41/70/94/819417094.db2.gz UINLIYISVMIDLC-HXUWFJFHSA-N 1 1 296.458 3.282 20 30 CGEDMO C=CCCCCC[N@H+](C1CCC1)C1CCNCC1 ZINC001236634096 819556152 /nfs/dbraw/zinc/55/61/52/819556152.db2.gz QNPHFPOGOWLEMP-UHFFFAOYSA-N 1 1 250.430 3.339 20 30 CGEDMO C=CCCCCC[N@@H+](C1CCC1)C1CCNCC1 ZINC001236634096 819556156 /nfs/dbraw/zinc/55/61/56/819556156.db2.gz QNPHFPOGOWLEMP-UHFFFAOYSA-N 1 1 250.430 3.339 20 30 CGEDMO CCc1cc(CN(C2CCC2)C2CC[NH2+]CC2)ccc1C#N ZINC001236647965 819559936 /nfs/dbraw/zinc/55/99/36/819559936.db2.gz NUAOSKMLXNJBIC-UHFFFAOYSA-N 1 1 297.446 3.227 20 30 CGEDMO CC(C)C[N@@H+](C)Cc1ccc(C#N)c(Br)c1 ZINC001236857496 819624300 /nfs/dbraw/zinc/62/43/00/819624300.db2.gz XTDPPQKKJZWNOU-UHFFFAOYSA-N 1 1 281.197 3.409 20 30 CGEDMO C=CC[NH+]1CCN(Cc2ccccc2OC(C)(C)C)CC1 ZINC001237025297 819646289 /nfs/dbraw/zinc/64/62/89/819646289.db2.gz ICTQUCHBINIVHJ-UHFFFAOYSA-N 1 1 288.435 3.168 20 30 CGEDMO CC(C)c1ccc(C[N@@H+]2CCC[C@H](C#N)C2)c(O)c1 ZINC001237048181 819652743 /nfs/dbraw/zinc/65/27/43/819652743.db2.gz DSDIZXYXLFSKOL-CYBMUJFWSA-N 1 1 258.365 3.251 20 30 CGEDMO CC(C)c1ccc(C[N@H+]2CCC[C@H](C#N)C2)c(O)c1 ZINC001237048181 819652747 /nfs/dbraw/zinc/65/27/47/819652747.db2.gz DSDIZXYXLFSKOL-CYBMUJFWSA-N 1 1 258.365 3.251 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237122669 819674165 /nfs/dbraw/zinc/67/41/65/819674165.db2.gz JZJIXKPJHZRBDZ-LLVKDONJSA-N 1 1 299.292 3.136 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(C(F)F)c(OC)c2)C1 ZINC001237279042 819715123 /nfs/dbraw/zinc/71/51/23/819715123.db2.gz FVZGNGXGXFBQBB-GFCCVEGCSA-N 1 1 279.330 3.478 20 30 CGEDMO CC(C)[N@@H+](CCCCCO)Cc1cc(C#N)c(F)cc1F ZINC001237539342 819774038 /nfs/dbraw/zinc/77/40/38/819774038.db2.gz YYVCZTXTPHUYBK-UHFFFAOYSA-N 1 1 296.361 3.209 20 30 CGEDMO C#CC[N@H+](C)Cc1cccc(-c2ccc(C(=O)OC)cc2)c1 ZINC001237815680 819851198 /nfs/dbraw/zinc/85/11/98/819851198.db2.gz FJYBITLCEUBFCY-UHFFFAOYSA-N 1 1 293.366 3.205 20 30 CGEDMO CCCCCCC[N@@H+](CC)Cc1c[nH]ccc1=O ZINC001237836046 819857586 /nfs/dbraw/zinc/85/75/86/819857586.db2.gz CUWXXXYOSZWBEH-UHFFFAOYSA-N 1 1 250.386 3.167 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(C2CC2)cnc1OC ZINC001238027802 819915545 /nfs/dbraw/zinc/91/55/45/819915545.db2.gz GKXDVSQTLDDTRD-UHFFFAOYSA-N 1 1 260.381 3.366 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1cc(F)cc(C)c1O ZINC001238060606 819920224 /nfs/dbraw/zinc/92/02/24/819920224.db2.gz KFKBGZKOUACVDK-UHFFFAOYSA-N 1 1 264.344 3.356 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1cc(F)cc(C)c1O ZINC001238060606 819920228 /nfs/dbraw/zinc/92/02/28/819920228.db2.gz KFKBGZKOUACVDK-UHFFFAOYSA-N 1 1 264.344 3.356 20 30 CGEDMO COC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)c(C#N)c1 ZINC001238189907 819950844 /nfs/dbraw/zinc/95/08/44/819950844.db2.gz YVWXLGNRJXAHMX-AWEZNQCLSA-N 1 1 278.783 3.213 20 30 CGEDMO COc1cc(C[N@H+](CCC#N)C2CCCC2)ccc1C#N ZINC001238406353 819987696 /nfs/dbraw/zinc/98/76/96/819987696.db2.gz BJGSGIPBCVPFFB-UHFFFAOYSA-N 1 1 283.375 3.225 20 30 CGEDMO COc1cc(C[N@@H+](CCC#N)C2CCCC2)ccc1C#N ZINC001238406353 819987700 /nfs/dbraw/zinc/98/77/00/819987700.db2.gz BJGSGIPBCVPFFB-UHFFFAOYSA-N 1 1 283.375 3.225 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1ncc(OC)cc1Cl ZINC001238486916 820020894 /nfs/dbraw/zinc/02/08/94/820020894.db2.gz HJKDALZPMMWPRM-UHFFFAOYSA-N 1 1 254.761 3.142 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ncc(OC)cc1Cl ZINC001238486916 820020901 /nfs/dbraw/zinc/02/09/01/820020901.db2.gz HJKDALZPMMWPRM-UHFFFAOYSA-N 1 1 254.761 3.142 20 30 CGEDMO CCc1cc(C[N@@H+]2CCC[C@](C)(F)C2)ccc1C#N ZINC001238766901 820111596 /nfs/dbraw/zinc/11/15/96/820111596.db2.gz QKFFDSQXDZOFDB-INIZCTEOSA-N 1 1 260.356 3.445 20 30 CGEDMO CCc1cc(C[N@H+]2CCC[C@](C)(F)C2)ccc1C#N ZINC001238766901 820111598 /nfs/dbraw/zinc/11/15/98/820111598.db2.gz QKFFDSQXDZOFDB-INIZCTEOSA-N 1 1 260.356 3.445 20 30 CGEDMO CCCCCCCCNC(=O)NCc1ccc(N)[nH+]c1C ZINC001239225616 820235343 /nfs/dbraw/zinc/23/53/43/820235343.db2.gz YTNVPEKAXYGOLV-UHFFFAOYSA-N 1 1 292.427 3.132 20 30 CGEDMO CCCCCCCCOC(=O)N1CCC(F)(F)[C@H]([NH3+])C1 ZINC001239330066 820274780 /nfs/dbraw/zinc/27/47/80/820274780.db2.gz LFPUDHAJUQJPGR-GFCCVEGCSA-N 1 1 292.370 3.152 20 30 CGEDMO Cc1nc2cccc(-c3cc(C#N)cc(C4C[NH2+]C4)c3)c2[nH]1 ZINC001240351306 820985875 /nfs/dbraw/zinc/98/58/75/820985875.db2.gz QFFOTKKZTUZJIG-UHFFFAOYSA-N 1 1 288.354 3.097 20 30 CGEDMO N#Cc1cc(-c2cc(-n3ccnc3)cc[nH+]2)ccc1Cl ZINC001240401521 821022607 /nfs/dbraw/zinc/02/26/07/821022607.db2.gz ZMSZTMSAHLRAPG-UHFFFAOYSA-N 1 1 280.718 3.459 20 30 CGEDMO C[N@@H+]1CC=C(c2cc(OC3CCC3)cc(F)c2C#N)CC1 ZINC001241330055 821736495 /nfs/dbraw/zinc/73/64/95/821736495.db2.gz HHLZHGSFHZKTJM-UHFFFAOYSA-N 1 1 286.350 3.348 20 30 CGEDMO C[N@H+]1CC[C@@H](c2ccc(-c3ccc(C#N)nc3)cc2)C1 ZINC001241437253 821830774 /nfs/dbraw/zinc/83/07/74/821830774.db2.gz AVWIRFSJIHSOJJ-MRXNPFEDSA-N 1 1 263.344 3.039 20 30 CGEDMO C[N@H+]1CCC=C(c2nc(-c3ccccc3)ccc2C#N)C1 ZINC001241565317 821950911 /nfs/dbraw/zinc/95/09/11/821950911.db2.gz HXIPLMLFQGKFJP-UHFFFAOYSA-N 1 1 275.355 3.339 20 30 CGEDMO Cc1cc(-c2ccc([C@H]3CCCC[N@@H+]3C)cn2)cnc1C#N ZINC001242355233 822963710 /nfs/dbraw/zinc/96/37/10/822963710.db2.gz KZFKHKYKDBXIAB-GOSISDBHSA-N 1 1 292.386 3.481 20 30 CGEDMO Cc1cc(C#N)cc(-c2ccccc2C[NH+]2CCOCC2)c1 ZINC001242479148 823006661 /nfs/dbraw/zinc/00/66/61/823006661.db2.gz PJPSVEYZGMKKBQ-UHFFFAOYSA-N 1 1 292.382 3.366 20 30 CGEDMO Cc1ccc(C#N)cc1-c1cccc(C[NH+]2CCOCC2)c1 ZINC001242543035 823025090 /nfs/dbraw/zinc/02/50/90/823025090.db2.gz PAFVJORXTPKEER-UHFFFAOYSA-N 1 1 292.382 3.366 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001338902047 936338550 /nfs/dbraw/zinc/33/85/50/936338550.db2.gz JPKDQKXPLMRSAB-WBVHZDCISA-N 1 1 286.419 3.122 20 30 CGEDMO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](CC)C1 ZINC001330314856 935284992 /nfs/dbraw/zinc/28/49/92/935284992.db2.gz FVFVIVVBJAQKDF-ZACQAIPSSA-N 1 1 264.457 3.443 20 30 CGEDMO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCN(CC)C1 ZINC001330314856 935284993 /nfs/dbraw/zinc/28/49/93/935284993.db2.gz FVFVIVVBJAQKDF-ZACQAIPSSA-N 1 1 264.457 3.443 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)/C(C)=C\C)C(C)(C)C1 ZINC001330184633 935274934 /nfs/dbraw/zinc/27/49/34/935274934.db2.gz PFOVIVHDBYCHLE-QUWCCNNGSA-N 1 1 278.440 3.134 20 30 CGEDMO C[N@@H+](CCc1cccs1)Cc1csc(C#N)c1 ZINC001342865094 936481696 /nfs/dbraw/zinc/48/16/96/936481696.db2.gz XPVHSMPXHQJVDU-UHFFFAOYSA-N 1 1 262.403 3.356 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC001343420681 936499822 /nfs/dbraw/zinc/49/98/22/936499822.db2.gz GEOODBKCWLGFPY-LBPRGKRZSA-N 1 1 269.747 3.256 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC001343420681 936499826 /nfs/dbraw/zinc/49/98/26/936499826.db2.gz GEOODBKCWLGFPY-LBPRGKRZSA-N 1 1 269.747 3.256 20 30 CGEDMO C#CC[N@H+](C[C@H](C)c1ccc(OC)cc1)CC1CC1 ZINC001347099203 936870329 /nfs/dbraw/zinc/87/03/29/936870329.db2.gz UEOHECREEODHHM-AWEZNQCLSA-N 1 1 257.377 3.144 20 30 CGEDMO C=CCCC(=O)N[C@H]1CCC[N@H+](Cc2csc(C)c2)C1 ZINC001479899308 936913817 /nfs/dbraw/zinc/91/38/17/936913817.db2.gz CENJYWSRXXSLOG-HNNXBMFYSA-N 1 1 292.448 3.103 20 30 CGEDMO CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC)C1)c1cccc(C#N)c1 ZINC001350636921 936997040 /nfs/dbraw/zinc/99/70/40/936997040.db2.gz UYGTWQGONUMDAQ-FUHWJXTLSA-N 1 1 285.435 3.331 20 30 CGEDMO CC[C@@H]([NH2+]C[C@@H]1CCCN(CC)C1)c1cccc(C#N)c1 ZINC001350636921 936997042 /nfs/dbraw/zinc/99/70/42/936997042.db2.gz UYGTWQGONUMDAQ-FUHWJXTLSA-N 1 1 285.435 3.331 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)CC ZINC001480322745 937046108 /nfs/dbraw/zinc/04/61/08/937046108.db2.gz DOBXAZKLXFVLFV-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C[C@H](Nc1cccnc1C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001354157505 937092331 /nfs/dbraw/zinc/09/23/31/937092331.db2.gz QZCLXBASXQRFKT-KBPBESRZSA-N 1 1 284.407 3.018 20 30 CGEDMO C=C(C)CCC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001354474032 937103646 /nfs/dbraw/zinc/10/36/46/937103646.db2.gz GCDRUCDBWJMOQH-MRXNPFEDSA-N 1 1 286.419 3.076 20 30 CGEDMO C=C(C)CCC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001354474032 937103649 /nfs/dbraw/zinc/10/36/49/937103649.db2.gz GCDRUCDBWJMOQH-MRXNPFEDSA-N 1 1 286.419 3.076 20 30 CGEDMO C=C1CC(C)(C(=O)NCC[N@H+](C)C[C@@H](C)CC(C)C)C1 ZINC001480909961 926773235 /nfs/dbraw/zinc/77/32/35/926773235.db2.gz XPOGWASBDUWROP-AWEZNQCLSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(Cl)C[N@H+](CCCNC(=O)[C@H]1CC1(C)C)C(C)C ZINC001481348668 926962976 /nfs/dbraw/zinc/96/29/76/926962976.db2.gz HVHUDLCSHOVSJK-CYBMUJFWSA-N 1 1 286.847 3.002 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)C[C@@H]1CC[C@@H](C)C1)C(C)C ZINC001481353512 926965689 /nfs/dbraw/zinc/96/56/89/926965689.db2.gz JRRUWHZGQKOVEW-HZPDHXFCSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2ccoc2C)C1 ZINC001481388870 926972819 /nfs/dbraw/zinc/97/28/19/926972819.db2.gz GLGUUYUNLOMVDE-HNNXBMFYSA-N 1 1 290.407 3.091 20 30 CGEDMO C#CCCCCC(=O)N(CCC)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001481397835 926975823 /nfs/dbraw/zinc/97/58/23/926975823.db2.gz YJDBRGQMYBRCGZ-KRWDZBQOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@@H](C[N@H+](C)C[C@H](C)CC)C1 ZINC001481488389 927002206 /nfs/dbraw/zinc/00/22/06/927002206.db2.gz RUGRUYNUNCJIPW-CVEARBPZSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@@H](CC)C(C)C)C1 ZINC001481505925 927006468 /nfs/dbraw/zinc/00/64/68/927006468.db2.gz XKVUQXYFKWDZNQ-JKSUJKDBSA-N 1 1 280.456 3.025 20 30 CGEDMO C=CCC[C@H](C)[NH+]1CC(NC(=O)c2cc(C)c(C)s2)C1 ZINC001481600782 927038548 /nfs/dbraw/zinc/03/85/48/927038548.db2.gz VKLZRBDKSNESSZ-LBPRGKRZSA-N 1 1 292.448 3.134 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC001481702351 927062216 /nfs/dbraw/zinc/06/22/16/927062216.db2.gz PNLTVCWJHUVIPJ-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)c2occc2Cl)C1 ZINC001481739558 927076617 /nfs/dbraw/zinc/07/66/17/927076617.db2.gz AMPMPEJHMXUQID-GFCCVEGCSA-N 1 1 296.798 3.046 20 30 CGEDMO C=CC[N@H+](C)CCC1CCN(C(=O)C[C@H](C)C2CC2)CC1 ZINC001482509537 927273536 /nfs/dbraw/zinc/27/35/36/927273536.db2.gz WWANNAZTKOBWTG-HNNXBMFYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)/C=C\C(C)(C)C ZINC001482586964 927305561 /nfs/dbraw/zinc/30/55/61/927305561.db2.gz UNLBKLVWBHFULA-QYMJWVLRSA-N 1 1 280.456 3.334 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)C[C@@H]1CC=CCC1 ZINC001482620472 927329486 /nfs/dbraw/zinc/32/94/86/927329486.db2.gz RUSYLCYPKIHFHB-MRXNPFEDSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CC(=C)Cl)C1 ZINC001482664670 927342016 /nfs/dbraw/zinc/34/20/16/927342016.db2.gz VYTVUHJKSKHACE-CABCVRRESA-N 1 1 296.842 3.018 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(C=C)cc1 ZINC001483387168 927494931 /nfs/dbraw/zinc/49/49/31/927494931.db2.gz LBJJDIITGTXCTF-HNNXBMFYSA-N 1 1 286.419 3.346 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)c1cc(F)cc(Cl)c1 ZINC001483388407 927496561 /nfs/dbraw/zinc/49/65/61/927496561.db2.gz LKWKEASAOJZIMY-LLVKDONJSA-N 1 1 298.789 3.105 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H](C)c1cccs1 ZINC001483382173 927496755 /nfs/dbraw/zinc/49/67/55/927496755.db2.gz AXWRCOYAAYAXES-UONOGXRCSA-N 1 1 294.464 3.254 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)CC1=CCCCC1 ZINC001483639360 927558556 /nfs/dbraw/zinc/55/85/56/927558556.db2.gz IBOFRWSIXAJYOP-RDJZCZTQSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)C1CCC=CCC1 ZINC001483703170 927579813 /nfs/dbraw/zinc/57/98/13/927579813.db2.gz VKHIWCLIVAUHJC-RDJZCZTQSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC(C)(C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCC ZINC001483824841 927630069 /nfs/dbraw/zinc/63/00/69/927630069.db2.gz QWGCRKMVJRLLNM-IYBDPMFKSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC1(C(=O)N(C)C2C[NH+](CC/C=C\CC)C2)CCC1 ZINC001483876982 927638277 /nfs/dbraw/zinc/63/82/77/927638277.db2.gz LCFGAENZILNTQZ-SREVYHEPSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)C2(F)CCCCC2)C1 ZINC001484063887 927669208 /nfs/dbraw/zinc/66/92/08/927669208.db2.gz HCDFZHWOAAHRKE-MRXNPFEDSA-N 1 1 296.430 3.206 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C)CCCC)[C@@H]2C1 ZINC001484470655 927708400 /nfs/dbraw/zinc/70/84/00/927708400.db2.gz MVQWATOYBMUVDN-YESZJQIVSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCCCC(C)C ZINC001484465750 927708870 /nfs/dbraw/zinc/70/88/70/927708870.db2.gz UOLWRSCXUBUVMI-SJORKVTESA-N 1 1 292.467 3.454 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC001484723096 927742810 /nfs/dbraw/zinc/74/28/10/927742810.db2.gz LONNLEULPRMCKI-AEFFLSMTSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC001484723097 927743044 /nfs/dbraw/zinc/74/30/44/927743044.db2.gz LONNLEULPRMCKI-FUHWJXTLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)/C=C/c1ccco1 ZINC001484731314 927744217 /nfs/dbraw/zinc/74/42/17/927744217.db2.gz ODHUDDBTFPJBOC-CMDGGOBGSA-N 1 1 290.407 3.039 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1CCC[N@@H+](C/C=C\Cl)CC1 ZINC001484720874 927744636 /nfs/dbraw/zinc/74/46/36/927744636.db2.gz WJGIFCDQKSLOJV-AJNJCKRNSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)C1CC2(CCC2)C1 ZINC001484753670 927751132 /nfs/dbraw/zinc/75/11/32/927751132.db2.gz MVDMEIWCVSHEQF-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC1(C(=O)N(C)CCC[N@@H+](C)C/C=C/Cl)CCC1 ZINC001484757986 927755591 /nfs/dbraw/zinc/75/55/91/927755591.db2.gz YYLLGQSSNLCXBC-IZZDOVSWSA-N 1 1 298.858 3.266 20 30 CGEDMO C=C(C)C[N@H+]1Cc2ccc(CNC(=O)C=C3CCC3)cc2C1 ZINC001484872639 927763079 /nfs/dbraw/zinc/76/30/79/927763079.db2.gz AFFKMHHJPLHFJE-UHFFFAOYSA-N 1 1 296.414 3.305 20 30 CGEDMO CC#CC[N@H+]1CC[C@H](NC(=O)CCCC(C)C)C(C)(C)C1 ZINC001484941344 927773304 /nfs/dbraw/zinc/77/33/04/927773304.db2.gz ZTMPSMMUPJOTIA-INIZCTEOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)C1(CCC)CCC1 ZINC001485065462 927795249 /nfs/dbraw/zinc/79/52/49/927795249.db2.gz KVAGCBMCZTZNDP-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C1CCCCCC1 ZINC001485052309 927795318 /nfs/dbraw/zinc/79/53/18/927795318.db2.gz ZDEIKBYKCPZCAC-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@]12C[C@@H]1CCCC2 ZINC001485069967 927798509 /nfs/dbraw/zinc/79/85/09/927798509.db2.gz UIZSYPIWKXILEB-BQFCYCMXSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]1C[N@H+](C)C[C@@H](C)CC ZINC001485058024 927799354 /nfs/dbraw/zinc/79/93/54/927799354.db2.gz HXONZAWLFHHYFT-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001485306092 927848497 /nfs/dbraw/zinc/84/84/97/927848497.db2.gz JTJNLUPNNYJQQW-SOUVJXGZSA-N 1 1 280.456 3.071 20 30 CGEDMO C#CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](CC)CC1CCCC1 ZINC001485357220 927855173 /nfs/dbraw/zinc/85/51/73/927855173.db2.gz QTGPYVKJZFDLQU-RDJZCZTQSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)C[C@H]1CC2CCC1CC2 ZINC001473431747 937198932 /nfs/dbraw/zinc/19/89/32/937198932.db2.gz JUKVSEPMASDTAQ-OFLPRAFFSA-N 1 1 264.457 3.252 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)c1cc2ccccc2o1 ZINC001485380589 927861565 /nfs/dbraw/zinc/86/15/65/927861565.db2.gz IJAZVLOKCMYZCV-CYBMUJFWSA-N 1 1 286.375 3.059 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@H](NC(=O)C2CCC2)C(C)(C)C1 ZINC001485557908 927887008 /nfs/dbraw/zinc/88/70/08/927887008.db2.gz KLXMNEVARVPIHH-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCCCCC(=O)N[C@H]1C[N@H+](CCCCC)CC1(C)C ZINC001485563673 927888734 /nfs/dbraw/zinc/88/87/34/927888734.db2.gz DVGZLAIBDBABRA-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@H+]1C[C@H](NC(=O)CCCC2CC2)C(C)(C)C1 ZINC001485573731 927892994 /nfs/dbraw/zinc/89/29/94/927892994.db2.gz GLWYGKDYKHTQFG-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+](C)C1CCN(C(=O)C[C@@H](C)SC)CC1 ZINC001485756535 927912070 /nfs/dbraw/zinc/91/20/70/927912070.db2.gz OWMHFZDGJXCGIY-CQSZACIVSA-N 1 1 298.496 3.017 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)CC2CC(C)(C)C2)CC1 ZINC001485761837 927916148 /nfs/dbraw/zinc/91/61/48/927916148.db2.gz CYSPYGDJWVJTNB-UHFFFAOYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@H](C)CCCC)CCC[C@H]12 ZINC001486152097 927989696 /nfs/dbraw/zinc/98/96/96/927989696.db2.gz NUVYZQBWKWKYFF-HLLBOEOZSA-N 1 1 278.440 3.112 20 30 CGEDMO C#CCCCCCC(=O)N[C@H]1CCC[N@H+](CC(C)C)[C@@H]1C ZINC001486182190 927996153 /nfs/dbraw/zinc/99/61/53/927996153.db2.gz XMZWDAJACGIMDY-SJORKVTESA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CCC[N@@H+](CC3CC3)[C@H]2C)CCC1 ZINC001486181419 927996939 /nfs/dbraw/zinc/99/69/39/927996939.db2.gz PDFBXRMXWCPOKV-GOEBONIOSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC(C)(C)CC(=O)NCC1=CC[N@@H+](CC[C@@H](C)F)CC1 ZINC001486509522 928028420 /nfs/dbraw/zinc/02/84/20/928028420.db2.gz NDFJTROGOMGXTP-CQSZACIVSA-N 1 1 296.430 3.085 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+]([C@H]2CCc3c2cccc3F)C1 ZINC001323729642 928083689 /nfs/dbraw/zinc/08/36/89/928083689.db2.gz PSDVJMMQRKOFQG-WBMJQRKESA-N 1 1 261.340 3.090 20 30 CGEDMO C#CCC1([NH2+]Cc2n[nH]c3ccccc32)CCCCC1 ZINC001179662882 928241438 /nfs/dbraw/zinc/24/14/38/928241438.db2.gz XAINMYZDEDHKEZ-UHFFFAOYSA-N 1 1 267.376 3.379 20 30 CGEDMO C=CCCCC(=O)N(CC)[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001494911581 928275400 /nfs/dbraw/zinc/27/54/00/928275400.db2.gz WAAQQYSIJZOUHX-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@H+](CCNC(=O)[C@H](C)[C@@H](C)C(C)(C)C)C1CC1 ZINC001317557656 928277231 /nfs/dbraw/zinc/27/72/31/928277231.db2.gz GMTQCSZBKZJHQD-HUUCEWRRSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CCC[N@H+]2C/C=C/Cl)CCC1 ZINC001493135421 928295768 /nfs/dbraw/zinc/29/57/68/928295768.db2.gz IIFJHWFKZMTMCT-AZWQULSGSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CCC[N@@H+]2C/C=C/Cl)CCC1 ZINC001493135421 928295778 /nfs/dbraw/zinc/29/57/78/928295778.db2.gz IIFJHWFKZMTMCT-AZWQULSGSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CCC[N@@H+](CC)CCCNC(=O)c1cccc(C)c1 ZINC001490312661 928346709 /nfs/dbraw/zinc/34/67/09/928346709.db2.gz QGRBLPDDYSQTLO-UHFFFAOYSA-N 1 1 274.408 3.013 20 30 CGEDMO C=C(C)CC[N@@H+](CCCNC(=O)C1CC(C)(C)C1)C1CC1 ZINC001490373690 928350495 /nfs/dbraw/zinc/35/04/95/928350495.db2.gz STWMGWGMXBPEHW-UHFFFAOYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001490449183 928358957 /nfs/dbraw/zinc/35/89/57/928358957.db2.gz MCMFKPZIENIHAD-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001490448831 928360267 /nfs/dbraw/zinc/36/02/67/928360267.db2.gz LBJGJYGMIMWAJB-BRWVUGGUSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C)C1 ZINC001490425855 928362007 /nfs/dbraw/zinc/36/20/07/928362007.db2.gz SQAFDUDBHVVARL-MRXNPFEDSA-N 1 1 286.419 3.155 20 30 CGEDMO CC#CC[N@H+]1CC[C@H](NC(=O)[C@@](C)(CC)CCCCC)C1 ZINC001490579981 928375049 /nfs/dbraw/zinc/37/50/49/928375049.db2.gz MRIMVRFXMMEITK-WMZOPIPTSA-N 1 1 292.467 3.197 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@](C)(CC)CCCCC)C1 ZINC001490579981 928375057 /nfs/dbraw/zinc/37/50/57/928375057.db2.gz MRIMVRFXMMEITK-WMZOPIPTSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)ccc2C)C1 ZINC001490573308 928376900 /nfs/dbraw/zinc/37/69/00/928376900.db2.gz HQHVYOUOOIHNOF-INIZCTEOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CCCC ZINC001490789875 928390077 /nfs/dbraw/zinc/39/00/77/928390077.db2.gz SGDKLHOJPRWVLX-HRCADAONSA-N 1 1 278.440 3.064 20 30 CGEDMO N#CCC[N@@H+](Cc1cc2ccc(F)cc2[nH]c1=O)CC1CC1 ZINC001414126085 937245186 /nfs/dbraw/zinc/24/51/86/937245186.db2.gz DRDOLYSGLPZXRR-UHFFFAOYSA-N 1 1 299.349 3.205 20 30 CGEDMO N#CCC[N@H+](Cc1cc2ccc(F)cc2[nH]c1=O)CC1CC1 ZINC001414126085 937245189 /nfs/dbraw/zinc/24/51/89/937245189.db2.gz DRDOLYSGLPZXRR-UHFFFAOYSA-N 1 1 299.349 3.205 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@H]1CCCC[N@@H+]1CCCC ZINC001491211748 928844741 /nfs/dbraw/zinc/84/47/41/928844741.db2.gz CHQGOGYIVHKZBG-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C[C@H](C#N)C[N@H+](C)C[C@@H]1CCC2(CCCCCC2)O1 ZINC001459410067 937487524 /nfs/dbraw/zinc/48/75/24/937487524.db2.gz DUWVIZPHGWOHBF-CABCVRRESA-N 1 1 264.413 3.350 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C)C[C@@H]1CCC2(CCCCCC2)O1 ZINC001459410067 937487527 /nfs/dbraw/zinc/48/75/27/937487527.db2.gz DUWVIZPHGWOHBF-CABCVRRESA-N 1 1 264.413 3.350 20 30 CGEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cc(C#N)ccn2)C1 ZINC001459554116 937491684 /nfs/dbraw/zinc/49/16/84/937491684.db2.gz AFZVVOZHPZOZPY-HUUCEWRRSA-N 1 1 275.421 3.059 20 30 CGEDMO C#CCOCC[N@@H+]1CCC[C@@H]1[C@H](CC)c1ccccc1 ZINC001459662850 937494822 /nfs/dbraw/zinc/49/48/22/937494822.db2.gz QFFVPOOQEFLJEK-QZTJIDSGSA-N 1 1 271.404 3.294 20 30 CGEDMO C#CCC[N@@H+](CCOC)CCSc1cccc(Cl)c1 ZINC001460513696 937533897 /nfs/dbraw/zinc/53/38/97/937533897.db2.gz XJOBUNYVNLBPTA-UHFFFAOYSA-N 1 1 297.851 3.404 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC001460693966 937540638 /nfs/dbraw/zinc/54/06/38/937540638.db2.gz SVAOPYWRLYSJKT-WBVHZDCISA-N 1 1 263.425 3.317 20 30 CGEDMO C#CC[N@@H+](C[C@H]1CCCOC1)[C@@H]1CCCc2ccccc21 ZINC001460835177 937548321 /nfs/dbraw/zinc/54/83/21/937548321.db2.gz JICXNYIRZRYDAH-VQIMIIECSA-N 1 1 283.415 3.426 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001460885217 937550469 /nfs/dbraw/zinc/55/04/69/937550469.db2.gz BGHYWOSSOUMBPZ-GDBMZVCRSA-N 1 1 290.363 3.059 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)CCC(F)(F)F ZINC001329408221 931950277 /nfs/dbraw/zinc/95/02/77/931950277.db2.gz HRPLPRDEPGAMSK-VXGBXAGGSA-N 1 1 294.361 3.120 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)c(F)c1 ZINC001140136318 931957519 /nfs/dbraw/zinc/95/75/19/931957519.db2.gz VDJLAMOCWWQHIY-BETUJISGSA-N 1 1 280.293 3.174 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCC(C)(C)C1 ZINC001158456781 931980293 /nfs/dbraw/zinc/98/02/93/931980293.db2.gz BQZGBIMFZYSRJX-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C[C@H](C#C[Si](C)(C)C)Oc1ccc2c(c1)CC[N@H+](C)C2 ZINC001228945875 932056545 /nfs/dbraw/zinc/05/65/45/932056545.db2.gz WQEJXMDLDLGKQJ-CQSZACIVSA-N 1 1 287.479 3.323 20 30 CGEDMO C[N@H+]1CCC[C@H](Oc2cc(C#N)ccc2Cl)CC1 ZINC001229249609 932122461 /nfs/dbraw/zinc/12/24/61/932122461.db2.gz XRBWOGYOGDLJDC-LBPRGKRZSA-N 1 1 264.756 3.075 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@H](C)CC(C)C)CC1 ZINC001229770315 932483418 /nfs/dbraw/zinc/48/34/18/932483418.db2.gz QOYLNJPAMWCGCH-GFCCVEGCSA-N 1 1 286.847 3.002 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H](C)[C@@H](C)CC)CC1 ZINC001229776842 932484307 /nfs/dbraw/zinc/48/43/07/932484307.db2.gz WTDSIMICQJMZCF-AAEUAGOBSA-N 1 1 286.847 3.002 20 30 CGEDMO C[N@H+]1CC[C@H](Oc2ccccc2/C=N/c2ccccc2O)C1 ZINC001229933015 932504999 /nfs/dbraw/zinc/50/49/99/932504999.db2.gz KZGCKKUCNZDIHC-UZUMKDMXSA-N 1 1 296.370 3.226 20 30 CGEDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ccc(C2(C#N)CC2)cc1 ZINC001229945340 932506539 /nfs/dbraw/zinc/50/65/39/932506539.db2.gz VNDRUQVQAOCZMG-HWWDLCQESA-N 1 1 296.414 3.351 20 30 CGEDMO C#CC[N@H+](Cc1cc(C)c(C2OCCO2)cc1C)CC1CC1 ZINC001461923827 937607122 /nfs/dbraw/zinc/60/71/22/937607122.db2.gz BSIRDFCIMPQECO-UHFFFAOYSA-N 1 1 299.414 3.194 20 30 CGEDMO C[N@@H+](Cc1cc2cccnc2o1)Cc1ccc(C#N)cc1 ZINC001461935333 937607484 /nfs/dbraw/zinc/60/74/84/937607484.db2.gz FUSREXPRFIXZPN-UHFFFAOYSA-N 1 1 277.327 3.331 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccccc1CC(F)(F)F ZINC001461985533 937608070 /nfs/dbraw/zinc/60/80/70/937608070.db2.gz GTVWDYDCAGNIAZ-UHFFFAOYSA-N 1 1 255.283 3.247 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C(C)C)CC1 ZINC001230508954 932580816 /nfs/dbraw/zinc/58/08/16/932580816.db2.gz VDUGSDHAXLYPMQ-KRWDZBQOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCCCC)CC1 ZINC001230509229 932580901 /nfs/dbraw/zinc/58/09/01/932580901.db2.gz WXCVYDCWJDTYLX-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccsc1 ZINC001230698486 932611044 /nfs/dbraw/zinc/61/10/44/932611044.db2.gz QRDJUUIZWPTKOK-DZGCQCFKSA-N 1 1 292.448 3.249 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccsc1 ZINC001230698488 932611434 /nfs/dbraw/zinc/61/14/34/932611434.db2.gz QRDJUUIZWPTKOK-UKRRQHHQSA-N 1 1 292.448 3.249 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)CC ZINC001230809531 932625809 /nfs/dbraw/zinc/62/58/09/932625809.db2.gz GESMLSCYNXNVMK-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO N#Cc1cccc(-c2cccc(C[NH+]3CCOCC3)c2)c1F ZINC001245068775 932709681 /nfs/dbraw/zinc/70/96/81/932709681.db2.gz LRLWPVVMTUQDHB-UHFFFAOYSA-N 1 1 296.345 3.197 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC/C=C/CC ZINC001316601112 932745489 /nfs/dbraw/zinc/74/54/89/932745489.db2.gz OKNKXXDSQIAKHS-FDMDGMSGSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CC2(CCC2)C1 ZINC001316601087 932745709 /nfs/dbraw/zinc/74/57/09/932745709.db2.gz OGUHZNPPZXUGDG-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2C)C1 ZINC001491942820 932797679 /nfs/dbraw/zinc/79/76/79/932797679.db2.gz GIWWQAKBUIJTLC-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)C2(CC)CC2)C1 ZINC001491947535 932799024 /nfs/dbraw/zinc/79/90/24/932799024.db2.gz WKPWNZWVTWUOJI-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H]1CCCNC(=O)C1CC=CC1 ZINC001492144640 932806351 /nfs/dbraw/zinc/80/63/51/932806351.db2.gz YVLCJHIQFHAPKS-HNNXBMFYSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)C(F)=C2CCCC2)C1 ZINC001317369724 932855647 /nfs/dbraw/zinc/85/56/47/932855647.db2.gz HDPYIIMHBMWNHW-OAHLLOKOSA-N 1 1 294.414 3.283 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)c2cc(C)oc2C)C1 ZINC001317373465 932860397 /nfs/dbraw/zinc/86/03/97/932860397.db2.gz DGNKUXUFWPHTND-OAHLLOKOSA-N 1 1 290.407 3.009 20 30 CGEDMO Cc1ccc(C#N)c(NC[C@H]2CC[N@H+]2C2CCCCCC2)n1 ZINC001307190689 932927118 /nfs/dbraw/zinc/92/71/18/932927118.db2.gz JDMQOQVHORVGDZ-QGZVFWFLSA-N 1 1 298.434 3.471 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H](NC(=O)OCC)C1 ZINC001307415886 932950059 /nfs/dbraw/zinc/95/00/59/932950059.db2.gz ULXHJJIBCVLNNX-CQSZACIVSA-N 1 1 270.417 3.167 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CCc2ccc(OCC)cc2C1 ZINC001307434556 932950714 /nfs/dbraw/zinc/95/07/14/932950714.db2.gz XMEBTPUEFVQWEK-AWEZNQCLSA-N 1 1 257.377 3.245 20 30 CGEDMO C=CCCC[N@@H+](C[C@H](O)COc1cccc(C)c1)C(C)C ZINC001307493661 932961507 /nfs/dbraw/zinc/96/15/07/932961507.db2.gz ZWOBLHCFWQHHBE-KRWDZBQOSA-N 1 1 291.435 3.411 20 30 CGEDMO CCC#C[C@H](C)[N@H+](CC)CC(=O)Nc1c(C)cccc1C ZINC001307535978 932966890 /nfs/dbraw/zinc/96/68/90/932966890.db2.gz PRWZBIVFLUQNOM-INIZCTEOSA-N 1 1 286.419 3.366 20 30 CGEDMO CCC#C[C@H](C)[N@@H+](CC)CC(=O)Nc1c(C)cccc1C ZINC001307535978 932966894 /nfs/dbraw/zinc/96/68/94/932966894.db2.gz PRWZBIVFLUQNOM-INIZCTEOSA-N 1 1 286.419 3.366 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)CC1CC1 ZINC001307589234 932972516 /nfs/dbraw/zinc/97/25/16/932972516.db2.gz UGENPEBDLYJYDS-UHFFFAOYSA-N 1 1 299.414 3.487 20 30 CGEDMO C#CC1([NH2+]Cc2cc(Cl)c(F)cc2O)CCCC1 ZINC001462529574 937647953 /nfs/dbraw/zinc/64/79/53/937647953.db2.gz IEDRYSUKKXPWAG-UHFFFAOYSA-N 1 1 267.731 3.220 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC001307773843 932998196 /nfs/dbraw/zinc/99/81/96/932998196.db2.gz AOMGHIKAGXTJBT-IRXDYDNUSA-N 1 1 272.436 3.405 20 30 CGEDMO C#C[C@H]1COCC[N@H+]1CCCCCCCCCC ZINC001307831062 933006895 /nfs/dbraw/zinc/00/68/95/933006895.db2.gz JOJDMXZWQZQENF-INIZCTEOSA-N 1 1 251.414 3.461 20 30 CGEDMO C#C[C@H]1COCC[N@@H+]1CCCCCCCCCC ZINC001307831062 933006898 /nfs/dbraw/zinc/00/68/98/933006898.db2.gz JOJDMXZWQZQENF-INIZCTEOSA-N 1 1 251.414 3.461 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC001307962907 933027310 /nfs/dbraw/zinc/02/73/10/933027310.db2.gz YLOGVLLTJSAXMT-NSHDSACASA-N 1 1 281.302 3.406 20 30 CGEDMO C#CC[C@H]1CC[N@H+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC001308066569 933042666 /nfs/dbraw/zinc/04/26/66/933042666.db2.gz CTSKQXSCMOCKCH-JXFKEZNVSA-N 1 1 293.410 3.088 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1CCCOC(F)(F)F ZINC001308135107 933055344 /nfs/dbraw/zinc/05/53/44/933055344.db2.gz DPHCNTWXOVFRFG-NSHDSACASA-N 1 1 251.292 3.344 20 30 CGEDMO C=CCCC[N@H+](CC)CC(=O)N[C@H](C)c1ccc(F)cc1 ZINC001308134906 933055779 /nfs/dbraw/zinc/05/57/79/933055779.db2.gz UKEXYXKBGLESBO-CQSZACIVSA-N 1 1 292.398 3.291 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC001308142822 933056933 /nfs/dbraw/zinc/05/69/33/933056933.db2.gz WXLPUALRBWEWBI-IAGOWNOFSA-N 1 1 298.430 3.368 20 30 CGEDMO C#CC[N@@H+](C)Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC001462622222 937655055 /nfs/dbraw/zinc/65/50/55/937655055.db2.gz AHZPRSUINUHKHP-UHFFFAOYSA-N 1 1 270.307 3.078 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC001462622222 937655056 /nfs/dbraw/zinc/65/50/56/937655056.db2.gz AHZPRSUINUHKHP-UHFFFAOYSA-N 1 1 270.307 3.078 20 30 CGEDMO C#Cc1ccc(C[NH2+]Cc2cccc(O)c2Cl)cc1 ZINC001308411002 933107971 /nfs/dbraw/zinc/10/79/71/933107971.db2.gz INCBUWZICXYBPO-UHFFFAOYSA-N 1 1 271.747 3.317 20 30 CGEDMO C#Cc1ccc(CNC[C@@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC001308466972 933114829 /nfs/dbraw/zinc/11/48/29/933114829.db2.gz SCWXIAYTFCHFFF-IBGZPJMESA-N 1 1 282.431 3.165 20 30 CGEDMO C#Cc1ccc(CNC[C@@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC001308466972 933114831 /nfs/dbraw/zinc/11/48/31/933114831.db2.gz SCWXIAYTFCHFFF-IBGZPJMESA-N 1 1 282.431 3.165 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)[C@@H]2C[C@@H](OC)C23CCC3)cc1 ZINC001308768055 933172536 /nfs/dbraw/zinc/17/25/36/933172536.db2.gz YIBSRUXRONHGHQ-IAGOWNOFSA-N 1 1 269.388 3.057 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@H+](CCc1ccc(F)c(F)c1)C2 ZINC001308837606 933186450 /nfs/dbraw/zinc/18/64/50/933186450.db2.gz GIMIIVGACISKCV-UHFFFAOYSA-N 1 1 284.309 3.395 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@@H+](CCc1ccc(F)c(F)c1)C2 ZINC001308837606 933186453 /nfs/dbraw/zinc/18/64/53/933186453.db2.gz GIMIIVGACISKCV-UHFFFAOYSA-N 1 1 284.309 3.395 20 30 CGEDMO C=CCC[C@@H](CCC)[NH2+][C@H](CC1CCOCC1)C(=O)OC ZINC001308919980 933205047 /nfs/dbraw/zinc/20/50/47/933205047.db2.gz YRLKDDSVWRPGLD-HZPDHXFCSA-N 1 1 297.439 3.069 20 30 CGEDMO C=CCCCC[C@H](C)[NH2+]C[C@@H]1CN2CCC1CC2 ZINC001308965971 933214845 /nfs/dbraw/zinc/21/48/45/933214845.db2.gz KDUQQLPLVPWWJK-GOEBONIOSA-N 1 1 250.430 3.053 20 30 CGEDMO C=CC[N@@H+](C)CCNC(=O)c1ccc(C2=CCCC2)cc1 ZINC001317475986 933227853 /nfs/dbraw/zinc/22/78/53/933227853.db2.gz OHJPSZRZLXUCPS-UHFFFAOYSA-N 1 1 284.403 3.102 20 30 CGEDMO COC(=O)[C@H]1C[C@H](C)CC[N@H+]1CCCCC1(C#N)CCC1 ZINC001341139999 933324061 /nfs/dbraw/zinc/32/40/61/933324061.db2.gz VKNKUMPLTGDTLH-HUUCEWRRSA-N 1 1 292.423 3.124 20 30 CGEDMO C=CCN(Cc1ccccc1)C(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC001463885470 937682765 /nfs/dbraw/zinc/68/27/65/937682765.db2.gz AZLOLUFSBPPPTK-INIZCTEOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CCC[N@H+](CCC)C2)CCCC1 ZINC001316951665 933461044 /nfs/dbraw/zinc/46/10/44/933461044.db2.gz CDDZMYCEYKUISA-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)CCCCC)CC(C)(C)C1 ZINC001316807788 933467103 /nfs/dbraw/zinc/46/71/03/933467103.db2.gz JNZPAQMEMLLOES-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCC)C(C)(C)[C@H]21 ZINC001316722135 933478194 /nfs/dbraw/zinc/47/81/94/933478194.db2.gz YCAJXSYCTOZPJA-OIISXLGYSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CC)CCCNC(=O)C(C)(C)C ZINC001316905918 933492231 /nfs/dbraw/zinc/49/22/31/933492231.db2.gz MKQSBABKBHXAHZ-AWEZNQCLSA-N 1 1 268.445 3.215 20 30 CGEDMO C#Cc1ccc(C(=O)NCCC[N@H+](CCCC)C2CC2)cc1 ZINC001316920820 933494489 /nfs/dbraw/zinc/49/44/89/933494489.db2.gz FTNAWAMZUUZRLH-UHFFFAOYSA-N 1 1 298.430 3.052 20 30 CGEDMO C=CC[N@@H+](CC)CCCNC(=O)C[C@@H]1CCCC[C@@H]1C ZINC001316910593 933494827 /nfs/dbraw/zinc/49/48/27/933494827.db2.gz CJHLWQRMSIGRJL-HOTGVXAUSA-N 1 1 280.456 3.217 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](NC(=O)c2ccco2)C1 ZINC001316968264 933503786 /nfs/dbraw/zinc/50/37/86/933503786.db2.gz CGPJWRBHIJYYFE-CQSZACIVSA-N 1 1 278.396 3.054 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)CCCC ZINC001317042463 933517979 /nfs/dbraw/zinc/51/79/79/933517979.db2.gz IFQVXPBZOONHKL-ZACQAIPSSA-N 1 1 292.467 3.454 20 30 CGEDMO C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)C[C@@H](C)CCC)C1 ZINC001317035331 933518521 /nfs/dbraw/zinc/51/85/21/933518521.db2.gz KQTYXCNMQVKFLL-DLBZAZTESA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCN(C(=O)C2(CC)CC2)C1 ZINC001317045395 933521079 /nfs/dbraw/zinc/52/10/79/933521079.db2.gz VLRWNDPKMQWPLK-CQSZACIVSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]2C[N@@H+](C(C)C)CC[C@H]21 ZINC001317104879 933530711 /nfs/dbraw/zinc/53/07/11/933530711.db2.gz KVHLWYZXEVUBDR-HZPDHXFCSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCCC)C1 ZINC001317101981 933531720 /nfs/dbraw/zinc/53/17/20/933531720.db2.gz ZTEQYDNBFSSYGX-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO C#CCCCCCC(=O)N[C@@H](C)[C@H]1CCC[N@H+](CCC)C1 ZINC001317210835 933553418 /nfs/dbraw/zinc/55/34/18/933553418.db2.gz VFOXIRZCHYKTDO-IRXDYDNUSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)C2(CC)CC2)C1 ZINC001317376947 933578835 /nfs/dbraw/zinc/57/88/35/933578835.db2.gz APBXQEBZENIUOD-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@H+](CC)CCNC(=O)c1cc(C)cc(F)c1 ZINC001317486912 933603022 /nfs/dbraw/zinc/60/30/22/933603022.db2.gz JZQUXARFFGRZGW-UHFFFAOYSA-N 1 1 292.398 3.152 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)C1CCC(F)CC1 ZINC001317486080 933603443 /nfs/dbraw/zinc/60/34/43/933603443.db2.gz JJFDVVWDZKHLCS-FHERZECASA-N 1 1 298.446 3.308 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@](C)(F)CCCC ZINC001317502894 933605452 /nfs/dbraw/zinc/60/54/52/933605452.db2.gz LFXGQNLPFJIMKF-ZBFHGGJFSA-N 1 1 284.419 3.062 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1CNC(=O)C1(C2CCCCC2)CC1 ZINC001317513743 933606165 /nfs/dbraw/zinc/60/61/65/933606165.db2.gz YCGBACJDTPFFOE-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)C1(C)CCCC1 ZINC001317507079 933607907 /nfs/dbraw/zinc/60/79/07/933607907.db2.gz YOOUCXIRLLYJEA-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](CNC(=O)/C=C(\C)CC)C1 ZINC001317521117 933610852 /nfs/dbraw/zinc/61/08/52/933610852.db2.gz BHSIHAKUDDMTLQ-QNHDLBPPSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@@H+](CCC)CCNC(=O)c1ccc(C)cc1 ZINC001317546311 933614266 /nfs/dbraw/zinc/61/42/66/933614266.db2.gz CBHHXFDRHRJTCB-UHFFFAOYSA-N 1 1 274.408 3.013 20 30 CGEDMO C=C(C)C[C@H]([NH2+]CC1CCC(C)(C)CC1)C(=O)OC ZINC001474668071 933637924 /nfs/dbraw/zinc/63/79/24/933637924.db2.gz PHKQAKYFHMRELH-AWEZNQCLSA-N 1 1 267.413 3.300 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC23CC3)C1 ZINC001317766195 933647207 /nfs/dbraw/zinc/64/72/07/933647207.db2.gz CBIWEURYFMATIY-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC)CCC)C1 ZINC001317856719 933658742 /nfs/dbraw/zinc/65/87/42/933658742.db2.gz JFGNQLUNMXREDO-JKSUJKDBSA-N 1 1 280.456 3.169 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)C2(C)CCCC2)C1 ZINC001318051175 933679365 /nfs/dbraw/zinc/67/93/65/933679365.db2.gz BVCZRGNSBOQXBK-UHFFFAOYSA-N 1 1 280.456 3.338 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCCCF ZINC001318209840 933696587 /nfs/dbraw/zinc/69/65/87/933696587.db2.gz QRCCOGMEURAGJS-JYJNAYRXSA-N 1 1 296.430 3.014 20 30 CGEDMO CC#CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCCCC ZINC001318210301 933697639 /nfs/dbraw/zinc/69/76/39/933697639.db2.gz XGQIMBZDZCERLS-IRXDYDNUSA-N 1 1 290.451 3.045 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)c2occc2C(C)C)C1 ZINC001318273125 933703004 /nfs/dbraw/zinc/70/30/04/933703004.db2.gz LRFIUNUWGZNCMJ-AWEZNQCLSA-N 1 1 290.407 3.173 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)C(CC)CC)C1 ZINC001318341870 933711029 /nfs/dbraw/zinc/71/10/29/933711029.db2.gz JZADNNITRVNJCC-GOEBONIOSA-N 1 1 280.456 3.215 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](NC(=O)C2(C3CC3)CC2)C1 ZINC001318338154 933712173 /nfs/dbraw/zinc/71/21/73/933712173.db2.gz OXPKIJLVXHMDPQ-MRXNPFEDSA-N 1 1 292.467 3.338 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)CCCC)C1 ZINC001318389661 933718737 /nfs/dbraw/zinc/71/87/37/933718737.db2.gz QPEKTYZYBGNKEL-CABCVRRESA-N 1 1 266.429 3.064 20 30 CGEDMO N#CCSCCC[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001319255144 933846216 /nfs/dbraw/zinc/84/62/16/933846216.db2.gz BJHBILBHKRADNN-ZIAGYGMSSA-N 1 1 252.427 3.145 20 30 CGEDMO C#CC[N@H+](Cc1ccc2oc(C(=O)OC)cc2c1)CC1CC1 ZINC001319552746 933892254 /nfs/dbraw/zinc/89/22/54/933892254.db2.gz VOVRTWLTQWEJGX-UHFFFAOYSA-N 1 1 297.354 3.065 20 30 CGEDMO C=CCCC(=O)N1CCC(CC[N@H+](C)CC=C(C)C)CC1 ZINC001319875140 933948343 /nfs/dbraw/zinc/94/83/43/933948343.db2.gz MKXWWQXCZJFGOL-UHFFFAOYSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)c1ccc(CCC)cc1 ZINC001320048557 933987924 /nfs/dbraw/zinc/98/79/24/933987924.db2.gz RWTQHCTWXQCJFJ-UHFFFAOYSA-N 1 1 288.435 3.219 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)C=C)CC[C@H]21 ZINC001320103447 934001311 /nfs/dbraw/zinc/00/13/11/934001311.db2.gz KQAPZKCCUVGJSN-JKSUJKDBSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)CCCC(C)C)CC[C@@H]21 ZINC001320113474 934003826 /nfs/dbraw/zinc/00/38/26/934003826.db2.gz YETWBDJJXALBLU-IRXDYDNUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2nc3ccccc3s2)C1 ZINC001320160848 934010530 /nfs/dbraw/zinc/01/05/30/934010530.db2.gz SJOAYSLMSLLKGH-LBPRGKRZSA-N 1 1 274.389 3.073 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC001320160848 934010540 /nfs/dbraw/zinc/01/05/40/934010540.db2.gz SJOAYSLMSLLKGH-LBPRGKRZSA-N 1 1 274.389 3.073 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2cncc3ccccc32)C1 ZINC001320377950 934039551 /nfs/dbraw/zinc/03/95/51/934039551.db2.gz RGSRPFDGANGDFO-INIZCTEOSA-N 1 1 268.360 3.012 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(Cl)cc1C#N)CC1CC1 ZINC001320533473 934061202 /nfs/dbraw/zinc/06/12/02/934061202.db2.gz JQNKSSDAUPSUIA-UHFFFAOYSA-N 1 1 258.752 3.057 20 30 CGEDMO C#CC[N@H+](Cc1ccc(Cl)cc1C#N)CC1CC1 ZINC001320533473 934061206 /nfs/dbraw/zinc/06/12/06/934061206.db2.gz JQNKSSDAUPSUIA-UHFFFAOYSA-N 1 1 258.752 3.057 20 30 CGEDMO CCOC(=O)C[C@H]1CCC[N@H+]1CCCCC(C)(C)C#N ZINC001320814775 934107308 /nfs/dbraw/zinc/10/73/08/934107308.db2.gz WWKPSCNXJRENIE-CQSZACIVSA-N 1 1 280.412 3.124 20 30 CGEDMO C#CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)CC1CC1 ZINC001320968002 934128047 /nfs/dbraw/zinc/12/80/47/934128047.db2.gz WHSGNSJMVXBURG-UHFFFAOYSA-N 1 1 278.739 3.093 20 30 CGEDMO C#CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)CC1CC1 ZINC001320968002 934128053 /nfs/dbraw/zinc/12/80/53/934128053.db2.gz WHSGNSJMVXBURG-UHFFFAOYSA-N 1 1 278.739 3.093 20 30 CGEDMO C=C(C)C[N@@H+](C)CCNC(=O)c1cccc(-c2ccoc2)c1 ZINC001492490665 934132678 /nfs/dbraw/zinc/13/26/78/934132678.db2.gz QMYICFNXDVVZGP-UHFFFAOYSA-N 1 1 298.386 3.184 20 30 CGEDMO C=CCCC(=O)N[C@H](C)C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001322124455 934247558 /nfs/dbraw/zinc/24/75/58/934247558.db2.gz SJGWAKJHQKWEMP-RHSMWYFYSA-N 1 1 286.419 3.077 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)C1[C@H]2CCCCCC[C@H]12 ZINC001322246881 934262830 /nfs/dbraw/zinc/26/28/30/934262830.db2.gz BAENAKJHGZHHOC-JYJNAYRXSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)C1(F)CCCCC1 ZINC001322275229 934269435 /nfs/dbraw/zinc/26/94/35/934269435.db2.gz WFQPLLSKLPJNDN-CQSZACIVSA-N 1 1 284.419 3.062 20 30 CGEDMO C#CCC[N@H+](C)C[C@@H](C)NC(=O)c1ccccc1C1CCC1 ZINC001322287371 934271841 /nfs/dbraw/zinc/27/18/41/934271841.db2.gz YWKHNBBQRVKOAS-OAHLLOKOSA-N 1 1 298.430 3.028 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)C12CCC(CC1)CC2 ZINC001322299469 934273683 /nfs/dbraw/zinc/27/36/83/934273683.db2.gz UXZNYUPREBUBDK-HJOIGYKYSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CC[N@@H+](Cc1ncc(-c2ccc(F)cc2)o1)CC1CC1 ZINC001322948330 934350617 /nfs/dbraw/zinc/35/06/17/934350617.db2.gz JNTQREYCCMZVOY-UHFFFAOYSA-N 1 1 284.334 3.326 20 30 CGEDMO C#CC[N@H+](Cc1ncc(-c2ccc(F)cc2)o1)CC1CC1 ZINC001322948330 934350627 /nfs/dbraw/zinc/35/06/27/934350627.db2.gz JNTQREYCCMZVOY-UHFFFAOYSA-N 1 1 284.334 3.326 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)CCCCC)C2)C1 ZINC001323834664 934429631 /nfs/dbraw/zinc/42/96/31/934429631.db2.gz BXUMCGLKBKHFGE-MRXNPFEDSA-N 1 1 298.858 3.244 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)CCCCC)C2)C1 ZINC001323834664 934429634 /nfs/dbraw/zinc/42/96/34/934429634.db2.gz BXUMCGLKBKHFGE-MRXNPFEDSA-N 1 1 298.858 3.244 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[C@H](C)CC)C2)C1 ZINC001323872889 934434547 /nfs/dbraw/zinc/43/45/47/934434547.db2.gz LYJZCHCSTNBCJA-SJLPKXTDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC1(C(=O)N(C)C2C[NH+](CCC)C2)CCCCC1 ZINC001324030307 934451905 /nfs/dbraw/zinc/45/19/05/934451905.db2.gz HIZSVHXOYNQXOO-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO C#CC[N@H+](C[C@H](O)c1ccc(C(F)(F)F)cc1)CC1CC1 ZINC001324704607 934552183 /nfs/dbraw/zinc/55/21/83/934552183.db2.gz NQABDGGUJFGYEX-HNNXBMFYSA-N 1 1 297.320 3.084 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1OCC1CC1)CC1CC1 ZINC001324775953 934565174 /nfs/dbraw/zinc/56/51/74/934565174.db2.gz KFIAQQJJRKLGGM-UHFFFAOYSA-N 1 1 269.388 3.321 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H](COC)C(C)C ZINC001473131461 937793462 /nfs/dbraw/zinc/79/34/62/937793462.db2.gz CCWIZSVKKWFGLO-SFHVURJKSA-N 1 1 286.419 3.465 20 30 CGEDMO C=CC[N@H+](C[C@H](C)CN1CCOCC1)CC1CCCCC1 ZINC001473164405 937795294 /nfs/dbraw/zinc/79/52/94/937795294.db2.gz VYIRPAZVGGFZJT-QGZVFWFLSA-N 1 1 294.483 3.023 20 30 CGEDMO C#CCCCCCC[N@@H+](C)Cc1cnn(-c2ccccc2)n1 ZINC001473182476 937796166 /nfs/dbraw/zinc/79/61/66/937796166.db2.gz FMWKPPZGWPRSAD-UHFFFAOYSA-N 1 1 296.418 3.283 20 30 CGEDMO C#CCCCCCC[N@H+](C)Cc1cnn(-c2ccccc2)n1 ZINC001473182476 937796167 /nfs/dbraw/zinc/79/61/67/937796167.db2.gz FMWKPPZGWPRSAD-UHFFFAOYSA-N 1 1 296.418 3.283 20 30 CGEDMO CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1cc(C#N)ccn1 ZINC001473195595 937797275 /nfs/dbraw/zinc/79/72/75/937797275.db2.gz ZCWKUEPLKGVEMP-GOSISDBHSA-N 1 1 279.387 3.406 20 30 CGEDMO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@](C)(CCc2ccccc2)C1 ZINC001473213030 937797390 /nfs/dbraw/zinc/79/73/90/937797390.db2.gz PYIJOOJSKGFSIA-WMZOPIPTSA-N 1 1 287.403 3.059 20 30 CGEDMO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@](C)(CCc2ccccc2)C1 ZINC001473213030 937797391 /nfs/dbraw/zinc/79/73/91/937797391.db2.gz PYIJOOJSKGFSIA-WMZOPIPTSA-N 1 1 287.403 3.059 20 30 CGEDMO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@](C)(CCc2ccccc2)C1 ZINC001473213027 937797826 /nfs/dbraw/zinc/79/78/26/937797826.db2.gz PYIJOOJSKGFSIA-AEFFLSMTSA-N 1 1 287.403 3.059 20 30 CGEDMO C=C[C@H](C(=O)OC)[N@H+]1CC[C@](C)(CCc2ccccc2)C1 ZINC001473213027 937797828 /nfs/dbraw/zinc/79/78/28/937797828.db2.gz PYIJOOJSKGFSIA-AEFFLSMTSA-N 1 1 287.403 3.059 20 30 CGEDMO Cc1nnc(C[N@@H+](CCc2ccc(C#N)cc2)C(C)(C)C)o1 ZINC001473237187 937798687 /nfs/dbraw/zinc/79/86/87/937798687.db2.gz YOPUCHLBUJLRBO-UHFFFAOYSA-N 1 1 298.390 3.093 20 30 CGEDMO CC[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H]1C ZINC001473402817 937805014 /nfs/dbraw/zinc/80/50/14/937805014.db2.gz MZUOWPXBLZCRMW-WCQYABFASA-N 1 1 273.336 3.087 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](C)C[C@@H]1C(=O)OC ZINC001473409877 937805449 /nfs/dbraw/zinc/80/54/49/937805449.db2.gz IFADQXMROXPPQZ-ZIAGYGMSSA-N 1 1 253.386 3.006 20 30 CGEDMO C#CC[N@H+](CCCC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001473454335 937807752 /nfs/dbraw/zinc/80/77/52/937807752.db2.gz PORFAHGXGXAPFI-UHFFFAOYSA-N 1 1 287.403 3.244 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C)C2CC2)C1 ZINC001324925863 934873322 /nfs/dbraw/zinc/87/33/22/934873322.db2.gz GAAKVOBBKINZBP-BBRMVZONSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C)C2CC2)C1 ZINC001324925863 934873324 /nfs/dbraw/zinc/87/33/24/934873324.db2.gz GAAKVOBBKINZBP-BBRMVZONSA-N 1 1 298.858 3.003 20 30 CGEDMO C[N@@H+](CC#Cc1ccccc1Cl)[C@H](CO)CC(C)(C)C ZINC001473475289 937808001 /nfs/dbraw/zinc/80/80/01/937808001.db2.gz CPTFLJKPUSHDAA-HNNXBMFYSA-N 1 1 293.838 3.420 20 30 CGEDMO C#CCCCCCC[NH2+][C@H](C(=O)OC(C)C)C(C)C ZINC001473491995 937809307 /nfs/dbraw/zinc/80/93/07/937809307.db2.gz PWTVYJROSMUOAC-HNNXBMFYSA-N 1 1 267.413 3.136 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cnc(C(C)C)s2)C1 ZINC001325303903 934902512 /nfs/dbraw/zinc/90/25/12/934902512.db2.gz VODQCBPZPOKAIF-LBPRGKRZSA-N 1 1 266.410 3.043 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C/C=C(\C)C=C ZINC001325899075 934937726 /nfs/dbraw/zinc/93/77/26/934937726.db2.gz NXSGAFIPCWJIMY-TUTJWUKCSA-N 1 1 288.435 3.150 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)CCCC ZINC001325899419 934937828 /nfs/dbraw/zinc/93/78/28/934937828.db2.gz LTPINMBYJQMAOH-BRWVUGGUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](C)CCC ZINC001326449405 934981241 /nfs/dbraw/zinc/98/12/41/934981241.db2.gz LADMPVDUZXTJMX-HNNXBMFYSA-N 1 1 288.435 3.357 20 30 CGEDMO C#CCCCCCC[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC001473676470 937816919 /nfs/dbraw/zinc/81/69/19/937816919.db2.gz VKEQEXNMJXXJNW-HDICACEKSA-N 1 1 275.436 3.463 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC001327143515 935035152 /nfs/dbraw/zinc/03/51/52/935035152.db2.gz RGEZHAQNZSXXQG-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)CC2(C)CC2)CC1 ZINC001327141846 935034736 /nfs/dbraw/zinc/03/47/36/935034736.db2.gz GGHHFZLOGVZLIX-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO CC(C)C#CC(=O)N[C@@H]1CCC[N@H+](CCCC(C)C)CC1 ZINC001327127809 935032757 /nfs/dbraw/zinc/03/27/57/935032757.db2.gz XVAKPJFLMDCYQT-QGZVFWFLSA-N 1 1 292.467 3.053 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCc2cc(C(C)(C)C)ccc2C1 ZINC001327144246 935036032 /nfs/dbraw/zinc/03/60/32/935036032.db2.gz BOWZYFRZHOJDIK-AWEZNQCLSA-N 1 1 286.419 3.271 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@](C)(C=C)CC)CC1 ZINC001327149099 935036365 /nfs/dbraw/zinc/03/63/65/935036365.db2.gz XTIWSOGPEUAAQD-NVXWUHKLSA-N 1 1 278.440 3.136 20 30 CGEDMO CC(C)C#CC(=O)N(C)CCC[N@H+](C)C[C@@H](C)CC(C)C ZINC001327198857 935043353 /nfs/dbraw/zinc/04/33/53/935043353.db2.gz DCBQLHPNDZBLAC-KRWDZBQOSA-N 1 1 294.483 3.108 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC001327225973 935045939 /nfs/dbraw/zinc/04/59/39/935045939.db2.gz USRRJYOSVNYYCT-YESZJQIVSA-N 1 1 292.467 3.169 20 30 CGEDMO C[C@H]1COC2(CCCC2)C[N@@H+]1Cc1ccc(C#N)s1 ZINC001328429487 935137889 /nfs/dbraw/zinc/13/78/89/935137889.db2.gz NXZBAJUYPAGZJR-LBPRGKRZSA-N 1 1 276.405 3.153 20 30 CGEDMO C[C@H]1COC2(CCCC2)C[N@H+]1Cc1ccc(C#N)s1 ZINC001328429487 935137893 /nfs/dbraw/zinc/13/78/93/935137893.db2.gz NXZBAJUYPAGZJR-LBPRGKRZSA-N 1 1 276.405 3.153 20 30 CGEDMO C=CCC[N@H+](CC)CC1CCN(C(=O)CCC2CC2)CC1 ZINC001328573692 935148144 /nfs/dbraw/zinc/14/81/44/935148144.db2.gz HTSWXPIDTWFEMV-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC1CCN(C(=O)c2ccco2)CC1 ZINC001328567735 935148290 /nfs/dbraw/zinc/14/82/90/935148290.db2.gz NSGJUBMTUMGVAK-UHFFFAOYSA-N 1 1 290.407 3.030 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@](C)(CC)CCC ZINC001329586522 935230808 /nfs/dbraw/zinc/23/08/08/935230808.db2.gz CIHRPNBEKHZOGI-GDBMZVCRSA-N 1 1 268.445 3.215 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)C1CCCC1 ZINC001329592780 935231209 /nfs/dbraw/zinc/23/12/09/935231209.db2.gz UJIYAUBXBXDQEJ-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)c1ccc(C2CC2)cc1 ZINC001329625131 935235279 /nfs/dbraw/zinc/23/52/79/935235279.db2.gz UYKZEJNMKOIFSH-CQSZACIVSA-N 1 1 286.419 3.190 20 30 CGEDMO N#CCOc1cccc(C[NH2+][C@H]2CCCc3scnc32)c1 ZINC001329746512 935243677 /nfs/dbraw/zinc/24/36/77/935243677.db2.gz VONXMAWFPOYUAD-AWEZNQCLSA-N 1 1 299.399 3.213 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H]1CCCCC[N@@H+]1CC(=C)Cl ZINC001329938777 935255681 /nfs/dbraw/zinc/25/56/81/935255681.db2.gz QELOQUZZGHOGSJ-CQSZACIVSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H]1CCCCC[N@H+]1CC(=C)Cl ZINC001329938777 935255686 /nfs/dbraw/zinc/25/56/86/935255686.db2.gz QELOQUZZGHOGSJ-CQSZACIVSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@](C)(C=C)CC ZINC001329937075 935256527 /nfs/dbraw/zinc/25/65/27/935256527.db2.gz KSDOFIQJJXBRNQ-NVXWUHKLSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](NC(=O)C(CC=C)CC=C)C(C)(C)C1 ZINC001330204923 935277037 /nfs/dbraw/zinc/27/70/37/935277037.db2.gz YEHQHGQDCKEBJR-MRXNPFEDSA-N 1 1 290.451 3.158 20 30 CGEDMO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC[N@H+](CC)C1 ZINC001330314854 935285351 /nfs/dbraw/zinc/28/53/51/935285351.db2.gz FVFVIVVBJAQKDF-BRWVUGGUSA-N 1 1 264.457 3.443 20 30 CGEDMO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCN(CC)C1 ZINC001330314854 935285356 /nfs/dbraw/zinc/28/53/56/935285356.db2.gz FVFVIVVBJAQKDF-BRWVUGGUSA-N 1 1 264.457 3.443 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)CCCCC)CCC[C@@H]12 ZINC001332072090 935437082 /nfs/dbraw/zinc/43/70/82/935437082.db2.gz VUIKCXFEZSMUQZ-GDBMZVCRSA-N 1 1 298.858 3.432 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)CCCCC)CCC[C@@H]12 ZINC001332072090 935437084 /nfs/dbraw/zinc/43/70/84/935437084.db2.gz VUIKCXFEZSMUQZ-GDBMZVCRSA-N 1 1 298.858 3.432 20 30 CGEDMO CC(C)C#CC(=O)N[C@@H]1CCC[N@@H+](CCC(C)(C)C)[C@@H]1C ZINC001332180204 935446467 /nfs/dbraw/zinc/44/64/67/935446467.db2.gz WQSGWCZZOMSKKK-HZPDHXFCSA-N 1 1 292.467 3.051 20 30 CGEDMO C=C/C(C)=C\CC(=O)N[C@@H]1CCC[N@@H+](CCC(=C)C)[C@H]1C ZINC001332199007 935449241 /nfs/dbraw/zinc/44/92/41/935449241.db2.gz NAWHEOSKYXDRDQ-DKJKAOOUSA-N 1 1 290.451 3.444 20 30 CGEDMO N#Cc1cncc(C[NH+]2CCC(Nc3ccccc3)CC2)c1 ZINC001333849244 936071100 /nfs/dbraw/zinc/07/11/00/936071100.db2.gz HROZZULRKJLUAW-UHFFFAOYSA-N 1 1 292.386 3.030 20 30 CGEDMO CC[N@@H+](Cc1cncc(C#N)c1)[C@@H]1CCCC[C@@H]1C ZINC001335885028 936165649 /nfs/dbraw/zinc/16/56/49/936165649.db2.gz PGNBGASHDSJEAV-XJKSGUPXSA-N 1 1 257.381 3.354 20 30 CGEDMO C[C@H]1CCSCC[N@H+]1CC1CCC(C#N)CC1 ZINC001335928407 936167241 /nfs/dbraw/zinc/16/72/41/936167241.db2.gz SHRXLCMXHUKWRU-HSBZDZAISA-N 1 1 252.427 3.144 20 30 CGEDMO C=CCC[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001336217202 936180857 /nfs/dbraw/zinc/18/08/57/936180857.db2.gz LANJAECBCBJTRM-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO C#Cc1ccc(CNc2[nH+]c3ccccc3n2C)cc1 ZINC001474246705 937846077 /nfs/dbraw/zinc/84/60/77/937846077.db2.gz DADZNMTUMJNGPQ-UHFFFAOYSA-N 1 1 261.328 3.167 20 30 CGEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CC(C)(C)C1(C)C ZINC001474369284 937854477 /nfs/dbraw/zinc/85/44/77/937854477.db2.gz IFJKLNXZFCYOAC-UHFFFAOYSA-N 1 1 271.408 3.245 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1cc(F)c(F)cc1O ZINC001474392422 937857088 /nfs/dbraw/zinc/85/70/88/937857088.db2.gz XKDRSXWUUMBGNB-UHFFFAOYSA-N 1 1 293.313 3.494 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cc(F)c(F)cc1O ZINC001474392422 937857090 /nfs/dbraw/zinc/85/70/90/937857090.db2.gz XKDRSXWUUMBGNB-UHFFFAOYSA-N 1 1 293.313 3.494 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)CC(C)C)[C@H]1CC ZINC001479644865 937923243 /nfs/dbraw/zinc/92/32/43/937923243.db2.gz HOICSKNDFPFRIA-OWCLPIDISA-N 1 1 280.456 3.214 20 30 CGEDMO CCCCCC[N@@H+](C)CCCNC(=O)C#CC(C)(C)C ZINC001479769965 937925147 /nfs/dbraw/zinc/92/51/47/937925147.db2.gz GZFKPQFYZHEJKB-UHFFFAOYSA-N 1 1 280.456 3.054 20 30 CGEDMO C=CCC[N@@H+](C)CCCNC(=O)c1sccc1Cl ZINC001479772554 937925629 /nfs/dbraw/zinc/92/56/29/937925629.db2.gz YGKSVFNKVSTTEK-UHFFFAOYSA-N 1 1 286.828 3.029 20 30 CGEDMO C=CC[N@H+](C)CCCNC(=O)C1(CC(C)C)CCCC1 ZINC001479802069 937926610 /nfs/dbraw/zinc/92/66/10/937926610.db2.gz KIIKJQSKWQTZPM-UHFFFAOYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[N@H+](CC/C=C\CCC)C1 ZINC001479960416 937929531 /nfs/dbraw/zinc/92/95/31/937929531.db2.gz KDKLPYWPMKBQRW-WHLNPGIBSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001479953973 937929634 /nfs/dbraw/zinc/92/96/34/937929634.db2.gz ODGYVVAVNWAAMM-ARFHVFGLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC001479962609 937930184 /nfs/dbraw/zinc/93/01/84/937930184.db2.gz UCYMQBZISBSKJY-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](CC)C(C)C ZINC001480103007 937932342 /nfs/dbraw/zinc/93/23/42/937932342.db2.gz VMPBSXSFPQYRGC-YESZJQIVSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]2C[N@@H+](CCCC)CC[C@H]21 ZINC001480186479 937933880 /nfs/dbraw/zinc/93/38/80/937933880.db2.gz NLHSNFLKQRIJDF-IAGOWNOFSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1(CC)CCCC1 ZINC001480331882 937936922 /nfs/dbraw/zinc/93/69/22/937936922.db2.gz OEVBYNKADDPVDP-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@@H](C)[NH2+]C/C(Cl)=C/Cl ZINC001480523165 937939635 /nfs/dbraw/zinc/93/96/35/937939635.db2.gz XIXHFFIOSMGMEP-OECYYCGISA-N 1 1 293.238 3.002 20 30 CGEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@H](CC)CCCC)C1 ZINC001480728586 937942859 /nfs/dbraw/zinc/94/28/59/937942859.db2.gz TVZRJFLGNBIQOO-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H](C)C(C)(C)C ZINC001480826989 937945739 /nfs/dbraw/zinc/94/57/39/937945739.db2.gz WCQJPFQKWBMQPE-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@](C)(F)CCCC ZINC001493117813 937947301 /nfs/dbraw/zinc/94/73/01/937947301.db2.gz DINGYYRDJOSUNC-GDBMZVCRSA-N 1 1 284.419 3.062 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](CNC(=O)CC(C)=C(C)C)C1 ZINC001493224895 937948350 /nfs/dbraw/zinc/94/83/50/937948350.db2.gz BQLZCWDNQWCLHM-INIZCTEOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCC[N@@H+](CCC)CCNC(=O)c1cc(C)ccc1C ZINC001493329347 937949578 /nfs/dbraw/zinc/94/95/78/937949578.db2.gz FCBJZHZXWVNDGV-UHFFFAOYSA-N 1 1 288.435 3.321 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)c1ccc(C)cc1F ZINC001493331724 937949712 /nfs/dbraw/zinc/94/97/12/937949712.db2.gz WINGOVJLHHHPEX-UHFFFAOYSA-N 1 1 292.398 3.152 20 30 CGEDMO C=CCC[N@@H+](CCC)CCNC(=O)c1cccc(C)c1C ZINC001493341694 937949808 /nfs/dbraw/zinc/94/98/08/937949808.db2.gz LBCMQWMWGHJUAM-UHFFFAOYSA-N 1 1 288.435 3.321 20 30 CGEDMO C=C(C)C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1CC(C)(C)C)C1CC1 ZINC001493372547 937950195 /nfs/dbraw/zinc/95/01/95/937950195.db2.gz MUBHLTFWDOWTCJ-GOEBONIOSA-N 1 1 292.467 3.215 20 30 CGEDMO CC#CC[N@@H+](CCCNC(=O)C=C1CCCCC1)C(C)C ZINC001493856861 937951474 /nfs/dbraw/zinc/95/14/74/937951474.db2.gz DZQVDFDZERLWME-UHFFFAOYSA-N 1 1 290.451 3.117 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)[C@@H]1CCC1(C)C)C(C)C ZINC001493866616 937951774 /nfs/dbraw/zinc/95/17/74/937951774.db2.gz HAJLNFYLEVEDHE-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](CCNC(=O)CC2CCCCC2)C1 ZINC001493986532 937952747 /nfs/dbraw/zinc/95/27/47/937952747.db2.gz VONYRLCBEHNVLL-KRWDZBQOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001494048693 937953077 /nfs/dbraw/zinc/95/30/77/937953077.db2.gz KOMDGTGRSVKHSU-INIZCTEOSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)C2CC(C)(C)C2)C1 ZINC001494124355 937953265 /nfs/dbraw/zinc/95/32/65/937953265.db2.gz GOXSWDLUEGUCDO-HNNXBMFYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)C(C)C)C1 ZINC001494135492 937953295 /nfs/dbraw/zinc/95/32/95/937953295.db2.gz QLXCGFCGAFABOC-OAHLLOKOSA-N 1 1 280.456 3.025 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)C(CC)CC)C1 ZINC001494280231 937953987 /nfs/dbraw/zinc/95/39/87/937953987.db2.gz FYBWVVOTMROCPU-GOEBONIOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CCC)C(C)C ZINC001494674321 937955811 /nfs/dbraw/zinc/95/58/11/937955811.db2.gz FSGNQNLTZHTTGL-YESZJQIVSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)CCC(=O)N(C)[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001494824758 937956609 /nfs/dbraw/zinc/95/66/09/937956609.db2.gz DTQOADPKRKVMRM-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(CCC)CCC3)CC[C@@H]21 ZINC001496864033 937964490 /nfs/dbraw/zinc/96/44/90/937964490.db2.gz RXCLGBNNOPFCMI-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CC)CC[C@H]21 ZINC001496851752 937964625 /nfs/dbraw/zinc/96/46/25/937964625.db2.gz SMULSLYFNZBVKG-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCCC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CC2CCC2)C1 ZINC001496865201 937964662 /nfs/dbraw/zinc/96/46/62/937964662.db2.gz WHXKTSDMSBRREG-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC(=O)N[C@@H](C)C[N@@H+](C)[C@H](C)c1cccc(C)c1 ZINC001498239177 937968743 /nfs/dbraw/zinc/96/87/43/937968743.db2.gz LDFQHNXTZRDRSY-JKSUJKDBSA-N 1 1 288.435 3.459 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)c1ccn(C(C)C)c1C ZINC001498366326 937969125 /nfs/dbraw/zinc/96/91/25/937969125.db2.gz PLDMJIVGHQUXNY-AWEZNQCLSA-N 1 1 291.439 3.004 20 30 CGEDMO C=CCCCC(=O)N[C@H](C)C[N@@H+](C)CC1CC(C)(C)C1 ZINC001498370035 937969260 /nfs/dbraw/zinc/96/92/60/937969260.db2.gz UDHJDEFXGCOWJE-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO CC#CCCCC(=O)N[C@H](C)C[N@@H+](C)CCC(C)(C)C ZINC001498361985 937969346 /nfs/dbraw/zinc/96/93/46/937969346.db2.gz JNETUQBIBAJEDR-OAHLLOKOSA-N 1 1 280.456 3.053 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1C1CC1 ZINC001498942665 937971510 /nfs/dbraw/zinc/97/15/10/937971510.db2.gz CPLJOMHNDYPDTI-KRWDZBQOSA-N 1 1 298.430 3.221 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C(C)(CC)CC ZINC001499123913 937972859 /nfs/dbraw/zinc/97/28/59/937972859.db2.gz FQFWFQUMPHHQPN-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC[N@H+](CCNC(=O)[C@H](C)CC)C1CCCCCC1 ZINC001499517640 937973666 /nfs/dbraw/zinc/97/36/66/937973666.db2.gz JKGOIYMRIBDJSU-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001500261972 937976650 /nfs/dbraw/zinc/97/66/50/937976650.db2.gz ZADCOACCBNXOTI-NUJGCVRESA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](C)c2cccs2)C1 ZINC001500258539 937976749 /nfs/dbraw/zinc/97/67/49/937976749.db2.gz UPJOHRQEBXPFOE-XJKSGUPXSA-N 1 1 292.448 3.008 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)CCCCCC)[C@@H]2C1 ZINC001501427613 937979486 /nfs/dbraw/zinc/97/94/86/937979486.db2.gz URWWIMRZEFUUNS-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H](NC(=O)C2(C3CC3)CC2)CC1 ZINC001502126127 937981146 /nfs/dbraw/zinc/98/11/46/937981146.db2.gz QWJCXRFBVYZKGY-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)C(C)(C)C)CC1 ZINC001502126199 937981172 /nfs/dbraw/zinc/98/11/72/937981172.db2.gz SJNXRLKVNDNCBY-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO CC(C)[N@H+]1Cc2ccc(CNC(=O)C#CC(C)(C)C)cc2C1 ZINC001502648479 937982811 /nfs/dbraw/zinc/98/28/11/937982811.db2.gz NSFZOZDWYVEXFB-UHFFFAOYSA-N 1 1 298.430 3.076 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)CCC)C(C)(C)C1 ZINC001502820183 937983453 /nfs/dbraw/zinc/98/34/53/937983453.db2.gz IDKWRQMTWBEEHO-JKSUJKDBSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]1C[N@H+](C)C[C@@H](F)CC ZINC001505432147 937985112 /nfs/dbraw/zinc/98/51/12/937985112.db2.gz GVCXTEWRNVCHJX-LSDHHAIUSA-N 1 1 284.419 3.014 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@H]1C[N@@H+](C)C/C=C/Cl ZINC001505441745 937985529 /nfs/dbraw/zinc/98/55/29/937985529.db2.gz JSOWATPKCJXMDW-KGXGESDWSA-N 1 1 298.858 3.264 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]([C@@H]2CC[N@H+](CC(=C)C)C2)C1 ZINC001505471861 937985713 /nfs/dbraw/zinc/98/57/13/937985713.db2.gz CKFSTTYOAUNNAE-DLBZAZTESA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)CNC(=O)c1ccc2sccc2c1 ZINC001506032208 937988871 /nfs/dbraw/zinc/98/88/71/937988871.db2.gz KKJRKDABVJPEHO-GFCCVEGCSA-N 1 1 288.416 3.137 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)CC2CCC2)CC1 ZINC001506954900 937992957 /nfs/dbraw/zinc/99/29/57/937992957.db2.gz VWJZRQXOYUSBCV-HNNXBMFYSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@]2(NC(=O)C3CCC3)CCC[C@@H]12 ZINC001507336166 937995221 /nfs/dbraw/zinc/99/52/21/937995221.db2.gz RMNGQRKXVJHLCD-LESCRADOSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)CCC(C)C)CCC[C@@H]12 ZINC001507336300 937995349 /nfs/dbraw/zinc/99/53/49/937995349.db2.gz RCLMQPWVJOSKHU-NVXWUHKLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)C[C@H](C)C3CC3)CCC[C@H]12 ZINC001507354314 937995375 /nfs/dbraw/zinc/99/53/75/937995375.db2.gz GELRTZDSQJJFHB-QILLFSRXSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CCC2(C)CC2)[C@H]1C ZINC001507379286 937995686 /nfs/dbraw/zinc/99/56/86/937995686.db2.gz AWBSFYLFCNHMSB-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3C[C@@H]3C#N)cc2)C1 ZINC001525112015 938047706 /nfs/dbraw/zinc/04/77/06/938047706.db2.gz RCVNUTVESBXGKN-FRFSOERESA-N 1 1 297.402 3.017 20 30 CGEDMO CCCCCCCC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC001534447994 938096384 /nfs/dbraw/zinc/09/63/84/938096384.db2.gz GJWSBMKTQZLPLB-INIZCTEOSA-N 1 1 280.456 3.480 20 30 CGEDMO C=CCC1(C(=O)N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)CCCCC1 ZINC001537409356 938110180 /nfs/dbraw/zinc/11/01/80/938110180.db2.gz ZYNRBNFEROYZGP-HOTGVXAUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001542303860 938135624 /nfs/dbraw/zinc/13/56/24/938135624.db2.gz OONVUGHWQPSODI-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CCCC1 ZINC001543946266 938142509 /nfs/dbraw/zinc/14/25/09/938142509.db2.gz VYAQXRFHJFERGW-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2CC)cc1 ZINC001559497223 938227644 /nfs/dbraw/zinc/22/76/44/938227644.db2.gz ODGNDYDRDXMFPK-QGZVFWFLSA-N 1 1 284.403 3.261 20 30 CGEDMO C#CCOCC[N@H+]1CCCCC[C@@H]1c1ccccc1 ZINC001559513545 938228378 /nfs/dbraw/zinc/22/83/78/938228378.db2.gz USQHBSLPHIXGQN-QGZVFWFLSA-N 1 1 257.377 3.254 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)C[C@@H]1C[C@H]1C(=O)OCC ZINC001559807762 938236504 /nfs/dbraw/zinc/23/65/04/938236504.db2.gz OWCVYUXMDDPHSZ-DLBZAZTESA-N 1 1 287.403 3.264 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](CC)CCOc1ccccc1C ZINC001559926871 938238986 /nfs/dbraw/zinc/23/89/86/938238986.db2.gz BRFQXCUXOYLYHO-INIZCTEOSA-N 1 1 277.408 3.023 20 30 CGEDMO C=C(C)CC[NH2+][C@H](C(=O)OCC)C1CCCCCC1 ZINC001559951301 938240057 /nfs/dbraw/zinc/24/00/57/938240057.db2.gz PMPLQVQCEVJOPE-HNNXBMFYSA-N 1 1 267.413 3.444 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Cl)cc1OC)[C@@H](C)COC ZINC001559992609 938241144 /nfs/dbraw/zinc/24/11/44/938241144.db2.gz DNVXCYMDVURLLR-LBPRGKRZSA-N 1 1 283.799 3.372 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](CCO[C@@H](CC)c2ccccc2)C1 ZINC001560135969 938244764 /nfs/dbraw/zinc/24/47/64/938244764.db2.gz HCUDIIWMTYLVKS-AEFFLSMTSA-N 1 1 271.404 3.500 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1nc([C@@H](C)OCC)no1 ZINC001560200334 938246662 /nfs/dbraw/zinc/24/66/62/938246662.db2.gz UCEAIJTUDGTPDI-OLZOCXBDSA-N 1 1 279.384 3.098 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1CCOCC(F)(F)C(F)F ZINC001560200095 938246906 /nfs/dbraw/zinc/24/69/06/938246906.db2.gz LZMHCLZNWIVDQX-LLVKDONJSA-N 1 1 283.309 3.334 20 30 CGEDMO C#C[C@H]1CCCC[N@H+]1Cc1cnc2ccccc2c1 ZINC001560209815 938247366 /nfs/dbraw/zinc/24/73/66/938247366.db2.gz YNODKLXZAUNXCV-INIZCTEOSA-N 1 1 250.345 3.223 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1c(C)cc(C)c(COC)c1C ZINC001560793471 938275977 /nfs/dbraw/zinc/27/59/77/938275977.db2.gz PZBLYOOABPKWMM-AWEZNQCLSA-N 1 1 259.393 3.212 20 30 CGEDMO C#CC[N@@H+](Cc1cn(-c2ccccc2Cl)nc1C)C1CC1 ZINC001560840395 938278695 /nfs/dbraw/zinc/27/86/95/938278695.db2.gz PSNXUSOLQODECV-UHFFFAOYSA-N 1 1 299.805 3.432 20 30 CGEDMO C#CC[N@H+](Cc1cn(-c2ccccc2Cl)nc1C)C1CC1 ZINC001560840395 938278696 /nfs/dbraw/zinc/27/86/96/938278696.db2.gz PSNXUSOLQODECV-UHFFFAOYSA-N 1 1 299.805 3.432 20 30 CGEDMO C#C[C@H]1CCC[N@H+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC001560906477 938283292 /nfs/dbraw/zinc/28/32/92/938283292.db2.gz KYYLIAREENTFCT-AGLBCWCQSA-N 1 1 261.315 3.323 20 30 CGEDMO C=CCCC(C)(C)NC(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC001563143370 938300648 /nfs/dbraw/zinc/30/06/48/938300648.db2.gz HYWWTECYGNAGHX-UHFFFAOYSA-N 1 1 276.384 3.014 20 30 CGEDMO C=C(C)C[N@@H+](C)CCNC(=O)c1cccc(C(C)(C)C)c1 ZINC001480925697 957695523 /nfs/dbraw/zinc/69/55/23/957695523.db2.gz IRQCQQUBIMCLOR-UHFFFAOYSA-N 1 1 288.435 3.222 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC=C(CNC(=O)C2CC=CC2)CC1 ZINC001486504506 957834798 /nfs/dbraw/zinc/83/47/98/957834798.db2.gz ACMXAYYUSCVTCV-OAHLLOKOSA-N 1 1 288.435 3.056 20 30 CGEDMO C=CCCCCC[N@@H+]1CC=C(CNC(=O)C=C(C)C)CC1 ZINC001486502779 957835038 /nfs/dbraw/zinc/83/50/38/957835038.db2.gz PMLWKTCAIMXHAJ-UHFFFAOYSA-N 1 1 290.451 3.447 20 30 CGEDMO C=CCCCC(=O)N1CCC([C@@H]2CCC[N@H+]2CC=C)CC1 ZINC001230591511 957846394 /nfs/dbraw/zinc/84/63/94/957846394.db2.gz ALAVTARPVAFUGE-KRWDZBQOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)/C=C/C(C)(C)C)C1 ZINC001569631784 960447280 /nfs/dbraw/zinc/44/72/80/960447280.db2.gz HNJDTKKYNHJLHA-LKUPDRCFSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C/C=C(\C)C=C)[C@H]1C ZINC001566101177 960552461 /nfs/dbraw/zinc/55/24/61/960552461.db2.gz WDKBECUDPFITPO-MMJTVPDGSA-N 1 1 276.424 3.054 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)C(C)C)C1 ZINC001566879095 960572996 /nfs/dbraw/zinc/57/29/96/960572996.db2.gz YKLUGTXSNVUXSR-JKSUJKDBSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N(C)C[C@H]1CC[N@H+]1CC1CCCC1 ZINC001565825455 960829343 /nfs/dbraw/zinc/82/93/43/960829343.db2.gz VEWUKQSWLNOCRI-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO CC#CCCCC(=O)N[C@H]1CC[N@H+](C[C@@H](C)CC)[C@@H]1CC ZINC001566019406 960871272 /nfs/dbraw/zinc/87/12/72/960871272.db2.gz OHLZGKYKRKJNQX-YESZJQIVSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CC(C)(C)CC)[C@H]1CC ZINC001566013895 960872182 /nfs/dbraw/zinc/87/21/82/960872182.db2.gz NZBNXSQRWVWHTL-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C#CCCCCC(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)[C@@H]1C ZINC001566087055 960878160 /nfs/dbraw/zinc/87/81/60/960878160.db2.gz AARFSIFTCZGCJW-CVEARBPZSA-N 1 1 292.467 3.195 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(CC)CC)CC(C)(C)C1 ZINC001566132039 960890263 /nfs/dbraw/zinc/89/02/63/960890263.db2.gz UYTZOTFJOISBSB-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)C)CC(C)(C)C1 ZINC001566127620 960897974 /nfs/dbraw/zinc/89/79/74/960897974.db2.gz CVFPAHSDFZINQX-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H](C[N@H+](C)C[C@H](C)CC)C1 ZINC001566736406 960997702 /nfs/dbraw/zinc/99/77/02/960997702.db2.gz PUYDSBSGJYGDKG-CVEARBPZSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)CC(C)C ZINC001566756066 961003004 /nfs/dbraw/zinc/00/30/04/961003004.db2.gz BNTLFLQPVNGXLM-ZACQAIPSSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H](CNC(=O)c2ccsc2)C1 ZINC001566866415 961034344 /nfs/dbraw/zinc/03/43/44/961034344.db2.gz YBVNHQPYHXHJAN-AWEZNQCLSA-N 1 1 292.448 3.156 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)C2(C)CC=CC2)C1 ZINC001566877078 961034477 /nfs/dbraw/zinc/03/44/77/961034477.db2.gz PTLXVKUFSRWBAS-MRXNPFEDSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)C2(CCC)CCC2)C1 ZINC001566877205 961042079 /nfs/dbraw/zinc/04/20/79/961042079.db2.gz SCOLHCVDOPNMOP-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H]2CCC[N@H+](CC=C(C)C)C2)C1 ZINC001566879042 961046825 /nfs/dbraw/zinc/04/68/25/961046825.db2.gz XJULBMITEVAOSN-INIZCTEOSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@](C)(F)CCCC ZINC001566922647 961054409 /nfs/dbraw/zinc/05/44/09/961054409.db2.gz BDWHQJSLLLZTAQ-WBVHZDCISA-N 1 1 298.446 3.452 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001566963264 961068836 /nfs/dbraw/zinc/06/88/36/961068836.db2.gz RVULMFHFAYRHDW-HOCLYGCPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)c2cc(C)cs2)C1 ZINC001567192324 961131199 /nfs/dbraw/zinc/13/11/99/961131199.db2.gz XJFYBNDEXWKBOD-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](C)C1CCCC1 ZINC001567265063 961152202 /nfs/dbraw/zinc/15/22/02/961152202.db2.gz PIDVTPZWCRVOGX-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)C(F)=C1CCCC1 ZINC001567248342 961156925 /nfs/dbraw/zinc/15/69/25/961156925.db2.gz VJTXMJZDWZMWOP-OAHLLOKOSA-N 1 1 294.414 3.331 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[N@H+](C)Cc1ccc(C)c(C)c1 ZINC001567296847 961264559 /nfs/dbraw/zinc/26/45/59/961264559.db2.gz BOLKLLJGGFFZNZ-UHFFFAOYSA-N 1 1 288.435 3.064 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)C1CCC(C)(C)CC1 ZINC001567324679 961284634 /nfs/dbraw/zinc/28/46/34/961284634.db2.gz YBRQNSLWZVHQHA-UHFFFAOYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](CNC(=O)c2cscc2C)C1 ZINC001567397419 961325077 /nfs/dbraw/zinc/32/50/77/961325077.db2.gz VOFSYBWIHBSDMA-CQSZACIVSA-N 1 1 292.448 3.074 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)c1ccc(F)cc1Cl ZINC001567432715 961334029 /nfs/dbraw/zinc/33/40/29/961334029.db2.gz LLGCZYLEXUKWLG-UHFFFAOYSA-N 1 1 298.789 3.107 20 30 CGEDMO C#CCC[N@@H+](CCC)CCNC(=O)C[C@@H]1CCCC[C@@H]1C ZINC001567435489 961334438 /nfs/dbraw/zinc/33/44/38/961334438.db2.gz QFWNZTUBRWUZNK-IRXDYDNUSA-N 1 1 292.467 3.054 20 30 CGEDMO C=C(C)CC[N@H+](CCNC(=O)[C@]1(C)CCC[C@H]1C)C1CC1 ZINC001567449484 961346448 /nfs/dbraw/zinc/34/64/48/961346448.db2.gz ZOLDUICOZWMWOL-CRAIPNDOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21)C(C)C ZINC001567644987 961376135 /nfs/dbraw/zinc/37/61/35/961376135.db2.gz GFIQNQVJBGFMCM-ZACQAIPSSA-N 1 1 292.467 3.215 20 30 CGEDMO CC#CC[N@H+](CCCNC(=O)C(C)(C)CCC)C(C)C ZINC001567647462 961380349 /nfs/dbraw/zinc/38/03/49/961380349.db2.gz MXZMDVQPCLTIAL-UHFFFAOYSA-N 1 1 280.456 3.053 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)[C@@]12C[C@@H]1CCCC2)C(C)C ZINC001567649606 961381040 /nfs/dbraw/zinc/38/10/40/961381040.db2.gz YECHWMGRMPTQET-WMZOPIPTSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1C(C)(C)C)C(C)C ZINC001567644188 961385454 /nfs/dbraw/zinc/38/54/54/961385454.db2.gz CAHAOLMBLRXNQX-HUUCEWRRSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CC(C)(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC=C(C)C ZINC001567671787 961387786 /nfs/dbraw/zinc/38/77/86/961387786.db2.gz OLRHLLOKICGIRC-IYBDPMFKSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)/C=C(\C)CC)C1 ZINC001567683738 961390159 /nfs/dbraw/zinc/39/01/59/961390159.db2.gz ZNQNHLWYRUASEE-SFKKXYGYSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CCC)C(=O)c2ccoc2)C1 ZINC001567680145 961391535 /nfs/dbraw/zinc/39/15/35/961391535.db2.gz ZZYBOYLWQINHCR-INIZCTEOSA-N 1 1 290.407 3.172 20 30 CGEDMO C=CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC)CCCCC1 ZINC001567675595 961397490 /nfs/dbraw/zinc/39/74/90/961397490.db2.gz DJXWGOMTZRNEKE-IYBDPMFKSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](CCNC(=O)c2cscc2Cl)C1 ZINC001567701895 961402945 /nfs/dbraw/zinc/40/29/45/961402945.db2.gz RUQZSFLCAPOISY-NSHDSACASA-N 1 1 298.839 3.029 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)C(CC)CC)C1 ZINC001567731222 961413459 /nfs/dbraw/zinc/41/34/59/961413459.db2.gz JWBBXBXICWUTTC-HOTGVXAUSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)C(C)(C)C)C1 ZINC001567732004 961418803 /nfs/dbraw/zinc/41/88/03/961418803.db2.gz UCRLJUDDUZEYBU-JKSUJKDBSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)C(C)(C)C)C1 ZINC001567732001 961419108 /nfs/dbraw/zinc/41/91/08/961419108.db2.gz UCRLJUDDUZEYBU-CVEARBPZSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CC[N@H+](C)CC1CCN(C(=O)C2(CC=C)CCC2)CC1 ZINC001567750277 961427508 /nfs/dbraw/zinc/42/75/08/961427508.db2.gz IGNNVGOYXDRVGQ-UHFFFAOYSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC(C)(C)C(=O)NC1C[NH+](CC/C=C/CCC)C1 ZINC001567808356 961437073 /nfs/dbraw/zinc/43/70/73/961437073.db2.gz QAAQJXPANJUMIB-CMDGGOBGSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H](NC(=O)C2CCCCCC2)C1 ZINC001567870351 961447011 /nfs/dbraw/zinc/44/70/11/961447011.db2.gz XOLQGWAVIFIGFA-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC(=O)N(C)[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001567907502 961455968 /nfs/dbraw/zinc/45/59/68/961455968.db2.gz UIHYKQQCVHTJNY-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)CC2(C)CCCC2)C1 ZINC001567937083 961460155 /nfs/dbraw/zinc/46/01/55/961460155.db2.gz CXRGMEXUONJANS-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)C=C1CCCCC1 ZINC001569106346 961684658 /nfs/dbraw/zinc/68/46/58/961684658.db2.gz CWNIQQWTWIIPLZ-HNNXBMFYSA-N 1 1 278.440 3.280 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[C@H](C)CC1 ZINC001569146655 961709776 /nfs/dbraw/zinc/70/97/76/961709776.db2.gz JJGTYTQECMBAKG-BZUAXINKSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)[C@]1(C)CC=C(C)CC1 ZINC001569151684 961711909 /nfs/dbraw/zinc/71/19/09/961711909.db2.gz MZUMQLSORXWYHN-NVXWUHKLSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)c1cc(C)oc1C ZINC001569346081 961738478 /nfs/dbraw/zinc/73/84/78/961738478.db2.gz AXIOKEOTGGSMMV-DOMZBBRYSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CCCC(=O)N1CC[C@]2(CC[N@H+]([C@H](C)CCC=C)C2)C1 ZINC001569475291 961781526 /nfs/dbraw/zinc/78/15/26/961781526.db2.gz QZSXGBFQGWELOA-AEFFLSMTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccccc2C)C1 ZINC001569628126 961808492 /nfs/dbraw/zinc/80/84/92/961808492.db2.gz IYTISDDMSLZNLZ-GOSISDBHSA-N 1 1 286.419 3.155 20 30 CGEDMO C=CCCC(=O)N[C@@]1(C)CC[N@@H+](CC2CCCCC2)C1 ZINC001569631449 961814784 /nfs/dbraw/zinc/81/47/84/961814784.db2.gz AOYYFPBTZXNJFS-KRWDZBQOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)/C(C)=C/CC)C1 ZINC001569709919 961834749 /nfs/dbraw/zinc/83/47/49/961834749.db2.gz KELXUDFBIAOYNO-FVLHSZHDSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(CC)CC)C2 ZINC001569794816 961839409 /nfs/dbraw/zinc/83/94/09/961839409.db2.gz OIFSQCDXTCLQDB-BBWFWOEESA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCC(=C)C ZINC001569911062 961876614 /nfs/dbraw/zinc/87/66/14/961876614.db2.gz ZFERQUOQXZLYHG-IAGOWNOFSA-N 1 1 290.451 3.374 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H](C)CC ZINC001569913146 961878289 /nfs/dbraw/zinc/87/82/89/961878289.db2.gz NXIVPSMVOIIKQN-BBWFWOEESA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)C(C)(C)C1CCC1 ZINC001570204347 961922267 /nfs/dbraw/zinc/92/22/67/961922267.db2.gz NMVCAWDJUMKIDH-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[N@H+](C)CCCN(C)C(=O)c1sccc1C(C)C ZINC001570218583 961933009 /nfs/dbraw/zinc/93/30/09/961933009.db2.gz WHDNYLZWDCMQHG-UHFFFAOYSA-N 1 1 294.464 3.451 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@]2(CC[N@H+](C[C@H](C)CC)C2)C1 ZINC001570271979 961943519 /nfs/dbraw/zinc/94/35/19/961943519.db2.gz RXSWKLLYKNNNNE-AEFFLSMTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C(C)(C)C)C(C)(C)C1 ZINC001570395774 961958764 /nfs/dbraw/zinc/95/87/64/961958764.db2.gz QGAAMSFLZAEHDT-KBPBESRZSA-N 1 1 280.456 3.071 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](C/C=C/Cl)CC1(C)C ZINC001570393244 961960391 /nfs/dbraw/zinc/96/03/91/961960391.db2.gz FKQQZUGBPMXVFY-KVEVGEHQSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)CCC)C[C@H]1C ZINC001570440267 961971597 /nfs/dbraw/zinc/97/15/97/961971597.db2.gz JTZWOOSVIHVIOA-HUUCEWRRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCC1 ZINC001570525184 961984224 /nfs/dbraw/zinc/98/42/24/961984224.db2.gz AJUCBFKVVKATAI-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)C=C1CCC1 ZINC001570527361 961986806 /nfs/dbraw/zinc/98/68/06/961986806.db2.gz GCOYZUJNPYPBIU-DOTOQJQBSA-N 1 1 290.451 3.374 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC12CC2 ZINC001570534246 961989838 /nfs/dbraw/zinc/98/98/38/961989838.db2.gz FRWAUEBIWKNONA-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC(=O)NC[C@H](C)[N@@H+](C)[C@H](C)c1ccccc1C ZINC001570700996 962038459 /nfs/dbraw/zinc/03/84/59/962038459.db2.gz ZRQZCTXSJOQZIN-JKSUJKDBSA-N 1 1 288.435 3.459 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)CC1(C)CCCCC1 ZINC001570721752 962055528 /nfs/dbraw/zinc/05/55/28/962055528.db2.gz FBLPBBBMMNAUQG-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)CNC(=O)c1ccccc1C(C)C ZINC001570714829 962059141 /nfs/dbraw/zinc/05/91/41/962059141.db2.gz XNQPZBUQEHTPLA-AWEZNQCLSA-N 1 1 274.408 3.046 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)C[C@H](C)c1ccco1 ZINC001570748088 962074101 /nfs/dbraw/zinc/07/41/01/962074101.db2.gz ROQWVXVYEMPZNA-GJZGRUSLSA-N 1 1 292.423 3.176 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@H]2CCCCC[N@@H+]2CC(C)C)C1 ZINC001570824481 962093137 /nfs/dbraw/zinc/09/31/37/962093137.db2.gz AKIGOGNXKWUWSD-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)CC(C)=C(C)C)C(C)(C)C1 ZINC001570901748 962108163 /nfs/dbraw/zinc/10/81/63/962108163.db2.gz HACDSYWURYQMQO-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H]2CC[C@H](NC(C)=O)C[C@@H]2C1 ZINC001571011212 962108894 /nfs/dbraw/zinc/10/88/94/962108894.db2.gz XOWSNNQXCHLLTL-BBWFWOEESA-N 1 1 280.456 3.193 20 30 CGEDMO CC#CC[N@H+](C)C1CCN(C(=O)[C@@H](C)C(CC)CC)CC1 ZINC001571332155 962136400 /nfs/dbraw/zinc/13/64/00/962136400.db2.gz UULHYVAFNPBGNZ-HNNXBMFYSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@H](C)C(C)C)CCC[C@@H]12 ZINC001571502782 962165384 /nfs/dbraw/zinc/16/53/84/962165384.db2.gz IXGOSFLSHGEOPU-IIAWOOMASA-N 1 1 298.858 3.144 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@H](C)C(C)C)CCC[C@@H]12 ZINC001571502782 962165393 /nfs/dbraw/zinc/16/53/93/962165393.db2.gz IXGOSFLSHGEOPU-IIAWOOMASA-N 1 1 298.858 3.144 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)CCC3CC3)CCC[C@@H]12 ZINC001571497559 962167265 /nfs/dbraw/zinc/16/72/65/962167265.db2.gz RYFATZCBKOSVMA-ZBFHGGJFSA-N 1 1 296.842 3.042 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)CCC3CC3)CCC[C@@H]12 ZINC001571497559 962167279 /nfs/dbraw/zinc/16/72/79/962167279.db2.gz RYFATZCBKOSVMA-ZBFHGGJFSA-N 1 1 296.842 3.042 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@@H](C)C(C)C)CCC[C@@H]12 ZINC001571502785 962170824 /nfs/dbraw/zinc/17/08/24/962170824.db2.gz IXGOSFLSHGEOPU-SQWLQELKSA-N 1 1 298.858 3.144 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@@H](C)C(C)C)CCC[C@@H]12 ZINC001571502785 962170832 /nfs/dbraw/zinc/17/08/32/962170832.db2.gz IXGOSFLSHGEOPU-SQWLQELKSA-N 1 1 298.858 3.144 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)CCC3CC3)CCC[C@@H]12 ZINC001571497556 962170850 /nfs/dbraw/zinc/17/08/50/962170850.db2.gz RYFATZCBKOSVMA-GDBMZVCRSA-N 1 1 296.842 3.042 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)CCC3CC3)CCC[C@@H]12 ZINC001571497556 962170861 /nfs/dbraw/zinc/17/08/61/962170861.db2.gz RYFATZCBKOSVMA-GDBMZVCRSA-N 1 1 296.842 3.042 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C=C)[C@H]1C ZINC001571520122 962171723 /nfs/dbraw/zinc/17/17/23/962171723.db2.gz AXOGEOADXWOSII-HUUCEWRRSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)[C@H]1C[C@H]1C(C)C)C(C)C ZINC001571615398 962186216 /nfs/dbraw/zinc/18/62/16/962186216.db2.gz QLEWMPDYQYNOJR-HOTGVXAUSA-N 1 1 280.456 3.023 20 30 CGEDMO C=CCCC(=O)N(CC[N@@H+](C)Cc1ccccc1)C(C)C ZINC001571610488 962189684 /nfs/dbraw/zinc/18/96/84/962189684.db2.gz RVGPYMXGAMPPNT-UHFFFAOYSA-N 1 1 288.435 3.322 20 30 CGEDMO C=C(CC)C(=O)NCCC[N@H+](CC)C1CCCCC1 ZINC001583719026 962847221 /nfs/dbraw/zinc/84/72/21/962847221.db2.gz YSLFXRTVWHXLHB-UHFFFAOYSA-N 1 1 266.429 3.114 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)CCC(=O)Nc1ccc(Cl)cc1F ZINC000298419060 260153297 /nfs/dbraw/zinc/15/32/97/260153297.db2.gz FUFCSNOVXVEUAR-UHFFFAOYSA-N 1 1 296.773 3.151 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000589996707 346820847 /nfs/dbraw/zinc/82/08/47/346820847.db2.gz DEHHUKPWQMQPSC-LSDHHAIUSA-N 1 1 276.330 3.344 20 30 CGEDMO C[C@@H]1CN(c2ccccc2F)CC[N@H+]1[C@@H]1CC[C@@H](C#N)C1 ZINC000590176913 346834870 /nfs/dbraw/zinc/83/48/70/346834870.db2.gz KPWDNPSGCJNEMZ-RBSFLKMASA-N 1 1 287.382 3.028 20 30 CGEDMO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000590375349 346844650 /nfs/dbraw/zinc/84/46/50/346844650.db2.gz LYRNZELYCHKWPK-VHSXEESVSA-N 1 1 268.282 3.417 20 30 CGEDMO C[C@@H]1[C@@H](C)C[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000590375349 346844652 /nfs/dbraw/zinc/84/46/52/346844652.db2.gz LYRNZELYCHKWPK-VHSXEESVSA-N 1 1 268.282 3.417 20 30 CGEDMO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2noc(COCC)n2)C1 ZINC000651814226 398291992 /nfs/dbraw/zinc/29/19/92/398291992.db2.gz NNRCGOJGGKEGBX-YNEHKIRRSA-N 1 1 279.384 3.002 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@@H](C3CCC3)C2)ccc1F ZINC000591061906 346897341 /nfs/dbraw/zinc/89/73/41/346897341.db2.gz NINUMTFZEBGIIP-CQSZACIVSA-N 1 1 258.340 3.319 20 30 CGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](C2CCC2)C1 ZINC000591062255 346898159 /nfs/dbraw/zinc/89/81/59/346898159.db2.gz ZRXWONHXSRGBDD-CJNGLKHVSA-N 1 1 297.402 3.007 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000591758835 346934319 /nfs/dbraw/zinc/93/43/19/346934319.db2.gz MWXCMSUWTMKECV-DOMZBBRYSA-N 1 1 287.338 3.073 20 30 CGEDMO CCc1onc(C)c1NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000330303728 529770470 /nfs/dbraw/zinc/77/04/70/529770470.db2.gz PLCAEEXOTACRJM-LBPRGKRZSA-N 1 1 279.384 3.398 20 30 CGEDMO CN(CCC[N@H+]1CCC[C@@](C)(C#N)C1)c1ccccc1 ZINC000592099312 346962161 /nfs/dbraw/zinc/96/21/61/346962161.db2.gz FINSTYMKHOCMCI-KRWDZBQOSA-N 1 1 271.408 3.139 20 30 CGEDMO N#Cc1cnccc1C[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000592069727 346959137 /nfs/dbraw/zinc/95/91/37/346959137.db2.gz REOYYNDLJFBNAD-HNNXBMFYSA-N 1 1 295.361 3.157 20 30 CGEDMO N#Cc1cnccc1C[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000592071028 346959907 /nfs/dbraw/zinc/95/99/07/346959907.db2.gz XQGYMCKJIOORDJ-QGZVFWFLSA-N 1 1 267.376 3.276 20 30 CGEDMO COc1cncc(/C=C\CC[N@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000592101803 346963392 /nfs/dbraw/zinc/96/33/92/346963392.db2.gz SLCOQFRZPHDHFC-GPCFVJJQSA-N 1 1 285.391 3.119 20 30 CGEDMO Cc1ccc(C[C@H](C)[N@@H+](C)Cc2ccncc2C#N)cc1 ZINC000592072047 346960387 /nfs/dbraw/zinc/96/03/87/346960387.db2.gz GROARBFHEZTQLY-HNNXBMFYSA-N 1 1 279.387 3.325 20 30 CGEDMO CC[C@H](C)[C@H]1CCCC[N@H+]1Cc1ccncc1C#N ZINC000592072543 346960504 /nfs/dbraw/zinc/96/05/04/346960504.db2.gz PQYIJRYFIZQRDJ-XJKSGUPXSA-N 1 1 257.381 3.354 20 30 CGEDMO COc1ccccc1C1([NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000592143286 346966696 /nfs/dbraw/zinc/96/66/96/346966696.db2.gz SQCIKKDXRXYYJV-UHFFFAOYSA-N 1 1 296.345 3.485 20 30 CGEDMO C=CCOc1ccc(CNC[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000623654547 349856521 /nfs/dbraw/zinc/85/65/21/349856521.db2.gz CEOLKQYWGIFPSR-QGZVFWFLSA-N 1 1 288.435 3.073 20 30 CGEDMO C=CCOc1ccc(CNC[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000623654547 349856526 /nfs/dbraw/zinc/85/65/26/349856526.db2.gz CEOLKQYWGIFPSR-QGZVFWFLSA-N 1 1 288.435 3.073 20 30 CGEDMO COc1ccccc1C1([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000592373989 346979732 /nfs/dbraw/zinc/97/97/32/346979732.db2.gz FZOWVRLJYZDMKX-UHFFFAOYSA-N 1 1 284.384 3.407 20 30 CGEDMO C[N@H+](CCC(F)(F)F)Cc1ccc(F)c(C#N)c1 ZINC000160989313 529874415 /nfs/dbraw/zinc/87/44/15/529874415.db2.gz UEZJZEYNEMYBRT-UHFFFAOYSA-N 1 1 260.234 3.082 20 30 CGEDMO C[N@@H+](CCC(F)(F)F)Cc1ccc(F)c(C#N)c1 ZINC000160989313 529874416 /nfs/dbraw/zinc/87/44/16/529874416.db2.gz UEZJZEYNEMYBRT-UHFFFAOYSA-N 1 1 260.234 3.082 20 30 CGEDMO CC(C)[C@H]1[N@H+](Cc2nc(C#N)cs2)CC12CC=CC2 ZINC000592526067 346996193 /nfs/dbraw/zinc/99/61/93/346996193.db2.gz GRDYPLICTCXGOV-CQSZACIVSA-N 1 1 273.405 3.191 20 30 CGEDMO CC(C)[C@H]1[N@@H+](Cc2nc(C#N)cs2)CC12CC=CC2 ZINC000592526067 346996196 /nfs/dbraw/zinc/99/61/96/346996196.db2.gz GRDYPLICTCXGOV-CQSZACIVSA-N 1 1 273.405 3.191 20 30 CGEDMO Cc1cnn(CCCCC[N@@H+]2Cc3cccc(C#N)c3C2)c1 ZINC000593123142 347043060 /nfs/dbraw/zinc/04/30/60/347043060.db2.gz TWQVYSKUCUETKM-UHFFFAOYSA-N 1 1 294.402 3.249 20 30 CGEDMO Cc1cnn(CCCCC[N@H+]2Cc3cccc(C#N)c3C2)c1 ZINC000593123142 347043062 /nfs/dbraw/zinc/04/30/62/347043062.db2.gz TWQVYSKUCUETKM-UHFFFAOYSA-N 1 1 294.402 3.249 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@@H]1CN1Cc2cccc(C#N)c2C1 ZINC000593127726 347043701 /nfs/dbraw/zinc/04/37/01/347043701.db2.gz UXEUICXEPXKEII-QGZVFWFLSA-N 1 1 283.419 3.137 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccncc2C#N)CCc2ccccc21 ZINC000593090294 347038615 /nfs/dbraw/zinc/03/86/15/347038615.db2.gz HVQCMCSESYKUAE-CQSZACIVSA-N 1 1 277.371 3.115 20 30 CGEDMO C[C@H](O)C[N@@H+](Cc1ccc(C#N)s1)C1CCCCC1 ZINC000130708471 290082903 /nfs/dbraw/zinc/08/29/03/290082903.db2.gz BFCUOXUNXUYSSC-LBPRGKRZSA-N 1 1 278.421 3.135 20 30 CGEDMO C[C@@H]1C[N@@H+](C[C@H](C#N)CCC#N)CCc2ccccc21 ZINC000593095940 347039057 /nfs/dbraw/zinc/03/90/57/347039057.db2.gz ORBQPPBFKOZJKM-CABCVRRESA-N 1 1 267.376 3.092 20 30 CGEDMO C=CCOc1ccc(CNC[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000040622230 344964206 /nfs/dbraw/zinc/96/42/06/344964206.db2.gz AJXHASVUKMTNPO-KRWDZBQOSA-N 1 1 288.435 3.071 20 30 CGEDMO C=CCOc1ccc(CNC[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000040622230 344964209 /nfs/dbraw/zinc/96/42/09/344964209.db2.gz AJXHASVUKMTNPO-KRWDZBQOSA-N 1 1 288.435 3.071 20 30 CGEDMO C[N@@H+](CCCC#N)Cc1ccc(N2CCCCC2)cc1 ZINC000053139082 345115518 /nfs/dbraw/zinc/11/55/18/345115518.db2.gz BASQWNHQISEJML-UHFFFAOYSA-N 1 1 271.408 3.412 20 30 CGEDMO C[N@H+](CCCC#N)CCCOc1cccc(Cl)c1 ZINC000052458101 345104314 /nfs/dbraw/zinc/10/43/14/345104314.db2.gz AQMOJKPYDQWLOK-UHFFFAOYSA-N 1 1 266.772 3.344 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1c1cc(OC)ccc1OC ZINC000053099147 345114612 /nfs/dbraw/zinc/11/46/12/345114612.db2.gz FNNCWQIKXXVWIX-HNNXBMFYSA-N 1 1 261.365 3.417 20 30 CGEDMO CN(C)c1ccc(C[N@H+](C)Cc2ccc(C#N)cc2F)cc1 ZINC000053899207 345126214 /nfs/dbraw/zinc/12/62/14/345126214.db2.gz NOGCANZMZRDCOH-UHFFFAOYSA-N 1 1 297.377 3.395 20 30 CGEDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2F)cc1 ZINC000053899207 345126216 /nfs/dbraw/zinc/12/62/16/345126216.db2.gz NOGCANZMZRDCOH-UHFFFAOYSA-N 1 1 297.377 3.395 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)cc1C#N ZINC000127386283 187301308 /nfs/dbraw/zinc/30/13/08/187301308.db2.gz QESXDNGQKZFZTP-INIZCTEOSA-N 1 1 281.359 3.232 20 30 CGEDMO C[C@@H](CC#N)[NH2+]CCOc1cccc2ccccc21 ZINC000068613008 345357050 /nfs/dbraw/zinc/35/70/50/345357050.db2.gz OAAXTBZYOMNWOY-ZDUSSCGKSA-N 1 1 254.333 3.110 20 30 CGEDMO CC[N@H+]1CCC[C@H](Nc2cc(C#N)c3ccccc3n2)C1 ZINC000068770165 345361802 /nfs/dbraw/zinc/36/18/02/345361802.db2.gz XOGQXJGPXKJJKN-AWEZNQCLSA-N 1 1 280.375 3.003 20 30 CGEDMO CC[N@@H+](CCn1nc(C)cc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000068809208 345364121 /nfs/dbraw/zinc/36/41/21/345364121.db2.gz MBNXOIMCIZCOCS-INIZCTEOSA-N 1 1 296.418 3.455 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C)Cc1c(O)ccc2ccccc21 ZINC000068870783 345366895 /nfs/dbraw/zinc/36/68/95/345366895.db2.gz OWYSYBKPZPAZMH-GFCCVEGCSA-N 1 1 254.333 3.137 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1ccc(Cl)cc1 ZINC000072553326 345412498 /nfs/dbraw/zinc/41/24/98/345412498.db2.gz NQVZQYYFQQHYMX-UHFFFAOYSA-N 1 1 266.772 3.177 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1ccc(Cl)cc1 ZINC000072553326 345412499 /nfs/dbraw/zinc/41/24/99/345412499.db2.gz NQVZQYYFQQHYMX-UHFFFAOYSA-N 1 1 266.772 3.177 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC2(C1)CCOCC2 ZINC000076156982 345536543 /nfs/dbraw/zinc/53/65/43/345536543.db2.gz LTWCJMLKXUZKSP-AWEZNQCLSA-N 1 1 270.376 3.122 20 30 CGEDMO C=CCCCN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000076490138 345544630 /nfs/dbraw/zinc/54/46/30/345544630.db2.gz WPBKHPXUZXKBBU-KRWDZBQOSA-N 1 1 286.419 3.076 20 30 CGEDMO C[C@H]1C[C@@H](Nc2c(C#N)cnc3ccccc32)CC[N@H+]1C ZINC000090795377 345793626 /nfs/dbraw/zinc/79/36/26/345793626.db2.gz ZFRHSGLHWOZWKX-JSGCOSHPSA-N 1 1 280.375 3.001 20 30 CGEDMO Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000092331695 345836048 /nfs/dbraw/zinc/83/60/48/345836048.db2.gz YRYYOIQDWVJXGX-VIFPVBQESA-N 1 1 273.311 3.153 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCCC#N)[C@H](C)CN1C(=O)OC(C)(C)C ZINC000093258897 345873821 /nfs/dbraw/zinc/87/38/21/345873821.db2.gz DUBRQIKSOXTHKX-ZIAGYGMSSA-N 1 1 295.427 3.010 20 30 CGEDMO C[N@@H+](CCOc1ccc(C#N)cc1)C1Cc2ccccc2C1 ZINC000141248565 346107556 /nfs/dbraw/zinc/10/75/56/346107556.db2.gz ASBRTZAKNRKYIY-UHFFFAOYSA-N 1 1 292.382 3.036 20 30 CGEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)CC1CCOCC1 ZINC000171826408 346211302 /nfs/dbraw/zinc/21/13/02/346211302.db2.gz MVSKJKBQGRDGDB-UHFFFAOYSA-N 1 1 290.363 3.009 20 30 CGEDMO C=CCCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000172173357 346216612 /nfs/dbraw/zinc/21/66/12/346216612.db2.gz GJWDXSNKLWPXEP-UHFFFAOYSA-N 1 1 261.365 3.028 20 30 CGEDMO COc1cc(C[N@@H+](C)[C@H](C)C(C)(C)C)ccc1C#N ZINC000234803809 346332158 /nfs/dbraw/zinc/33/21/58/346332158.db2.gz QTKDGFFBDSNVEZ-GFCCVEGCSA-N 1 1 260.381 3.433 20 30 CGEDMO COc1cc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)ccc1C#N ZINC000235001719 346333572 /nfs/dbraw/zinc/33/35/72/346333572.db2.gz RMSUYSUQOQHZNY-HOCLYGCPSA-N 1 1 270.376 3.331 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCO[C@@H](CCc3ccccc3)C2)C1 ZINC000278642994 346415993 /nfs/dbraw/zinc/41/59/93/346415993.db2.gz PFBLPKZGUVXJRE-SQNIBIBYSA-N 1 1 284.403 3.012 20 30 CGEDMO N#CCC[N@H+](Cc1cccc2c1CCC2)CC1CC1 ZINC000593571239 347091830 /nfs/dbraw/zinc/09/18/30/347091830.db2.gz DUZIGYCVJGNBOV-UHFFFAOYSA-N 1 1 254.377 3.301 20 30 CGEDMO Cc1nc(NC[C@H]2CC[N@H+](C(C)C)C2)c(Cl)cc1C#N ZINC000312910379 346478359 /nfs/dbraw/zinc/47/83/59/346478359.db2.gz KQBIGMNNPHQZBN-GFCCVEGCSA-N 1 1 292.814 3.057 20 30 CGEDMO C=CCCC[C@@H](C)[N@@H+](C)Cc1nc([C@@H](C)OCC)no1 ZINC000340882017 346503577 /nfs/dbraw/zinc/50/35/77/346503577.db2.gz VUGWIRREWRSMSY-CHWSQXEVSA-N 1 1 281.400 3.344 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+](C)Cc1nc([C@@H](C)OCC)no1 ZINC000340882017 346503583 /nfs/dbraw/zinc/50/35/83/346503583.db2.gz VUGWIRREWRSMSY-CHWSQXEVSA-N 1 1 281.400 3.344 20 30 CGEDMO Cc1ccccc1-n1nccc1C[NH2+]CC1(C#N)CCCC1 ZINC000593654796 347100960 /nfs/dbraw/zinc/10/09/60/347100960.db2.gz OVTBHZXRKBAIGC-UHFFFAOYSA-N 1 1 294.402 3.354 20 30 CGEDMO N#Cc1ccc(C[NH+]2CCC3(CC2)C(F)(F)C3(F)F)o1 ZINC000593658873 347101106 /nfs/dbraw/zinc/10/11/06/347101106.db2.gz XBQUQBIFJQPMPA-UHFFFAOYSA-N 1 1 288.244 3.018 20 30 CGEDMO N#CC1(C[NH2+]Cc2c[nH]nc2-c2ccsc2)CCCC1 ZINC000593654937 347101249 /nfs/dbraw/zinc/10/12/49/347101249.db2.gz ROTBHGSXKHUSRN-UHFFFAOYSA-N 1 1 286.404 3.312 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000397647427 346583671 /nfs/dbraw/zinc/58/36/71/346583671.db2.gz LFGCCIYNFLWARS-LLVKDONJSA-N 1 1 250.292 3.090 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000397647427 346583674 /nfs/dbraw/zinc/58/36/74/346583674.db2.gz LFGCCIYNFLWARS-LLVKDONJSA-N 1 1 250.292 3.090 20 30 CGEDMO C#CC[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000490852787 346627433 /nfs/dbraw/zinc/62/74/33/346627433.db2.gz NOZPMMGYNQGQDE-LBPRGKRZSA-N 1 1 256.374 3.109 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000491164948 346627836 /nfs/dbraw/zinc/62/78/36/346627836.db2.gz GWYOJZCGLMPAAV-UHFFFAOYSA-N 1 1 276.767 3.086 20 30 CGEDMO CCCCCCCCC[N@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000584590867 346685392 /nfs/dbraw/zinc/68/53/92/346685392.db2.gz GDIGOARUSWQFGA-MRXNPFEDSA-N 1 1 268.445 3.338 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)Cc1ccc2c[nH]nc2c1 ZINC000119184446 370653100 /nfs/dbraw/zinc/65/31/00/370653100.db2.gz JRNJUXGIGFFHBP-UHFFFAOYSA-N 1 1 270.380 3.325 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc2c[nH]nc2c1 ZINC000119184446 370653104 /nfs/dbraw/zinc/65/31/04/370653104.db2.gz JRNJUXGIGFFHBP-UHFFFAOYSA-N 1 1 270.380 3.325 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](OC3CCC3)C2)c1 ZINC000594026331 347139420 /nfs/dbraw/zinc/13/94/20/347139420.db2.gz JEOBXGZGROBCMA-INIZCTEOSA-N 1 1 288.366 3.231 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](OC3CCC3)C2)c1 ZINC000594026331 347139424 /nfs/dbraw/zinc/13/94/24/347139424.db2.gz JEOBXGZGROBCMA-INIZCTEOSA-N 1 1 288.366 3.231 20 30 CGEDMO C[N@@H+]1CCC[C@@H]1CCNC1(c2ccc(C#N)cc2)CCC1 ZINC000594033375 347140867 /nfs/dbraw/zinc/14/08/67/347140867.db2.gz OEHQPDXGLDEPSB-QGZVFWFLSA-N 1 1 283.419 3.011 20 30 CGEDMO C[N@H+]1CCC[C@@H]1CCNC1(c2ccc(C#N)cc2)CCC1 ZINC000594033375 347140870 /nfs/dbraw/zinc/14/08/70/347140870.db2.gz OEHQPDXGLDEPSB-QGZVFWFLSA-N 1 1 283.419 3.011 20 30 CGEDMO Cc1nc(C)c(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)o1 ZINC000594032858 347140987 /nfs/dbraw/zinc/14/09/87/347140987.db2.gz AYLUXBWADYTYPJ-UHFFFAOYSA-N 1 1 281.359 3.332 20 30 CGEDMO CN(C)c1[nH+]ccc2cc(NC(=O)CCCCC#N)ccc21 ZINC000594037530 347141704 /nfs/dbraw/zinc/14/17/04/347141704.db2.gz YKUGCXGQXVIIHG-UHFFFAOYSA-N 1 1 296.374 3.323 20 30 CGEDMO CC[C@@H](CNCc1ccc(C(C)(C)C#N)cc1)[NH+]1CCCC1 ZINC000594494275 347177671 /nfs/dbraw/zinc/17/76/71/347177671.db2.gz DXMOWXVHQKAYDU-SFHVURJKSA-N 1 1 299.462 3.452 20 30 CGEDMO C[C@H]1C[C@H]([NH2+]C2(c3ccc(C#N)cc3)CCC2)c2nccn21 ZINC000594518945 347188089 /nfs/dbraw/zinc/18/80/89/347188089.db2.gz SCSCFMFUQBUSIO-BBRMVZONSA-N 1 1 292.386 3.430 20 30 CGEDMO CC(C)n1ccnc1C[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000594940989 347235907 /nfs/dbraw/zinc/23/59/07/347235907.db2.gz OWXXOCDPDWLKRN-UHFFFAOYSA-N 1 1 288.782 3.279 20 30 CGEDMO CC1(C)CCC[N@H+]1CCNCc1ccc(C2(C#N)CC2)cc1 ZINC000594947339 347238607 /nfs/dbraw/zinc/23/86/07/347238607.db2.gz ZEZXWMHFZNEJOR-UHFFFAOYSA-N 1 1 297.446 3.206 20 30 CGEDMO CC1(C)CCCN1CC[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594947339 347238610 /nfs/dbraw/zinc/23/86/10/347238610.db2.gz ZEZXWMHFZNEJOR-UHFFFAOYSA-N 1 1 297.446 3.206 20 30 CGEDMO N#Cc1ccccc1N1CCC[N@@H+](CCC2CCC2)CC1 ZINC000595298139 347289385 /nfs/dbraw/zinc/28/93/85/347289385.db2.gz NRBMQQUZULNVBG-UHFFFAOYSA-N 1 1 283.419 3.261 20 30 CGEDMO N#C[C@@H](c1ccccc1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000595326901 347292229 /nfs/dbraw/zinc/29/22/29/347292229.db2.gz AUXRCWAINUMMAG-SFHVURJKSA-N 1 1 283.419 3.202 20 30 CGEDMO N#Cc1ccc(CC[N@@H+]2CCc3c(F)cc(F)cc3C2)cc1 ZINC000595350920 347296115 /nfs/dbraw/zinc/29/61/15/347296115.db2.gz LSIUQXMESRATQE-UHFFFAOYSA-N 1 1 298.336 3.437 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000595623661 347329235 /nfs/dbraw/zinc/32/92/35/347329235.db2.gz WNQZYPHWXDZJFM-LBPRGKRZSA-N 1 1 296.773 3.484 20 30 CGEDMO COc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)ccc1Cl ZINC000595623322 347329365 /nfs/dbraw/zinc/32/93/65/347329365.db2.gz MKKKTDBASMLXTE-LBPRGKRZSA-N 1 1 278.783 3.474 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)ccc1Cl ZINC000595623322 347329368 /nfs/dbraw/zinc/32/93/68/347329368.db2.gz MKKKTDBASMLXTE-LBPRGKRZSA-N 1 1 278.783 3.474 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cn2)CCc2ccccc21 ZINC000595631876 347330250 /nfs/dbraw/zinc/33/02/50/347330250.db2.gz LECNOSDKIMXXNQ-UHFFFAOYSA-N 1 1 291.398 3.289 20 30 CGEDMO CC1(C)C[C@H]([N@@H+](CCCC#N)Cc2ccccc2)CO1 ZINC000595636798 347330881 /nfs/dbraw/zinc/33/08/81/347330881.db2.gz JROGNZZHUINIFE-INIZCTEOSA-N 1 1 272.392 3.360 20 30 CGEDMO C=CC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)COC ZINC000595645183 347332444 /nfs/dbraw/zinc/33/24/44/347332444.db2.gz FTRDVYQPHVDZAB-NSHDSACASA-N 1 1 298.770 3.271 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C)COC ZINC000595645183 347332446 /nfs/dbraw/zinc/33/24/46/347332446.db2.gz FTRDVYQPHVDZAB-NSHDSACASA-N 1 1 298.770 3.271 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000595658612 347334187 /nfs/dbraw/zinc/33/41/87/347334187.db2.gz GCJRTIXJJUSHES-INIZCTEOSA-N 1 1 297.402 3.175 20 30 CGEDMO CCCn1cc[nH+]c1CCCN(C)[C@@H](C#N)c1ccccc1 ZINC000595453186 347305957 /nfs/dbraw/zinc/30/59/57/347305957.db2.gz AHICAANFUYVECV-KRWDZBQOSA-N 1 1 296.418 3.422 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1 ZINC000595490017 347310766 /nfs/dbraw/zinc/31/07/66/347310766.db2.gz KYZOVPDENQGXCL-MSOLQXFVSA-N 1 1 296.414 3.134 20 30 CGEDMO Cc1cc(C(F)(F)F)cc(NCC(C)(C)CC#N)[nH+]1 ZINC000596265708 347407591 /nfs/dbraw/zinc/40/75/91/347407591.db2.gz WIDFMMCZQNBQMR-UHFFFAOYSA-N 1 1 271.286 3.183 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000595836550 347364508 /nfs/dbraw/zinc/36/45/08/347364508.db2.gz ZRFSZRAGNSKBJL-ZDUSSCGKSA-N 1 1 268.282 3.441 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000595836550 347364511 /nfs/dbraw/zinc/36/45/11/347364511.db2.gz ZRFSZRAGNSKBJL-ZDUSSCGKSA-N 1 1 268.282 3.441 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](CCSCc2ccccc2)C1 ZINC000595843185 347366501 /nfs/dbraw/zinc/36/65/01/347366501.db2.gz IYEHXQJOBWKDNM-HNNXBMFYSA-N 1 1 260.406 3.155 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](CCSCc2ccccc2)C1 ZINC000595843185 347366504 /nfs/dbraw/zinc/36/65/04/347366504.db2.gz IYEHXQJOBWKDNM-HNNXBMFYSA-N 1 1 260.406 3.155 20 30 CGEDMO C[N@@H+](CCCCC(C)(C)C#N)CC1=CCSC1 ZINC000595889801 347370906 /nfs/dbraw/zinc/37/09/06/347370906.db2.gz WVQRTXWQSVTNGD-UHFFFAOYSA-N 1 1 252.427 3.311 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595910372 347371503 /nfs/dbraw/zinc/37/15/03/347371503.db2.gz PHJSPBRIMIHOTG-KDURUIRLSA-N 1 1 296.414 3.259 20 30 CGEDMO Cc1[nH+]ccn1CCCOc1c(Cl)cc(F)cc1C#N ZINC000596310428 347414639 /nfs/dbraw/zinc/41/46/39/347414639.db2.gz CBIMLIRTSWAXEY-UHFFFAOYSA-N 1 1 293.729 3.325 20 30 CGEDMO Cc1ccc(C#N)nc1N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000596082595 347381089 /nfs/dbraw/zinc/38/10/89/347381089.db2.gz RVYLLTZNKAMCOB-UXLLHSPISA-N 1 1 298.434 3.103 20 30 CGEDMO CC1(C)C[N@H+]([C@@H]2CC[C@H](C#N)C2)[C@@H]1c1cccnc1 ZINC000596589678 347483598 /nfs/dbraw/zinc/48/35/98/347483598.db2.gz BOSGHXUGRHOAHQ-NWANDNLSSA-N 1 1 255.365 3.157 20 30 CGEDMO CC1(C)C[N@H+]([C@@H]2CC[C@H](C#N)C2)[C@H]1c1cccnc1 ZINC000596589677 347483735 /nfs/dbraw/zinc/48/37/35/347483735.db2.gz BOSGHXUGRHOAHQ-CFVMTHIKSA-N 1 1 255.365 3.157 20 30 CGEDMO CC1(C)C[N@H+]([C@@H]2CC[C@H](C#N)C2)[C@@H]1c1ccncc1 ZINC000596593730 347484384 /nfs/dbraw/zinc/48/43/84/347484384.db2.gz RISULMVLUXIPLR-NWANDNLSSA-N 1 1 255.365 3.157 20 30 CGEDMO CCC[N@@H+](C)CC(C)(C)Nc1cccc(F)c1C#N ZINC000596539657 347476472 /nfs/dbraw/zinc/47/64/72/347476472.db2.gz AXZQONAVBAVSLV-UHFFFAOYSA-N 1 1 263.360 3.230 20 30 CGEDMO CC[C@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@@H](C)O1 ZINC000596999595 347526742 /nfs/dbraw/zinc/52/67/42/347526742.db2.gz DNQKTOPDSGAAOJ-PBHICJAKSA-N 1 1 284.403 3.241 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3CC[C@H]([C@@H]4CCOC4)C3)cc2)CC1 ZINC000597023015 347528241 /nfs/dbraw/zinc/52/82/41/347528241.db2.gz YILGFTCHOWSASX-DLBZAZTESA-N 1 1 296.414 3.100 20 30 CGEDMO C[N@@H+](CCc1ccncc1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597080481 347533697 /nfs/dbraw/zinc/53/36/97/347533697.db2.gz NVDATWISAMATFR-UHFFFAOYSA-N 1 1 291.398 3.311 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@H](C2CC2)O1 ZINC000597114875 347536216 /nfs/dbraw/zinc/53/62/16/347536216.db2.gz CGJKVDIABOLHQJ-KBXCAEBGSA-N 1 1 296.414 3.241 20 30 CGEDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597117524 347536815 /nfs/dbraw/zinc/53/68/15/347536815.db2.gz USKMKCCZZWGZPV-CRAIPNDOSA-N 1 1 298.430 3.367 20 30 CGEDMO CC[C@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CCCO1 ZINC000597122946 347537588 /nfs/dbraw/zinc/53/75/88/347537588.db2.gz BNTDWQVCWXXPFZ-KRWDZBQOSA-N 1 1 284.403 3.243 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)[C@H](C)C1 ZINC000597132343 347538378 /nfs/dbraw/zinc/53/83/78/347538378.db2.gz PBZMGTTWXBRZCI-RHSMWYFYSA-N 1 1 284.403 3.241 20 30 CGEDMO CC[C@H]1C[N@@H+](CC)CCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597138657 347539850 /nfs/dbraw/zinc/53/98/50/347539850.db2.gz BBPSCAWAIKHXIN-SFHVURJKSA-N 1 1 297.446 3.158 20 30 CGEDMO CC[C@H]1CN(CC)CC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597138657 347539855 /nfs/dbraw/zinc/53/98/55/347539855.db2.gz BBPSCAWAIKHXIN-SFHVURJKSA-N 1 1 297.446 3.158 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@H]1C ZINC000597138211 347540177 /nfs/dbraw/zinc/54/01/77/347540177.db2.gz MYIUMIHMPOQTFD-RHSMWYFYSA-N 1 1 284.403 3.099 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)[C@@H]2COC[C@@H]21 ZINC000597150093 347540864 /nfs/dbraw/zinc/54/08/64/347540864.db2.gz UEQRFXNHRBLRQY-DLBZAZTESA-N 1 1 296.414 3.099 20 30 CGEDMO Cc1ccc2cc(C[N@@H+]3CC[C@@](C)(C#N)C3)ccc2n1 ZINC000597232741 347560009 /nfs/dbraw/zinc/56/00/09/347560009.db2.gz WQEHPJHAWORWKM-KRWDZBQOSA-N 1 1 265.360 3.279 20 30 CGEDMO Cc1ccc2cc(C[N@H+]3CC[C@@](C)(C#N)C3)ccc2n1 ZINC000597232741 347560012 /nfs/dbraw/zinc/56/00/12/347560012.db2.gz WQEHPJHAWORWKM-KRWDZBQOSA-N 1 1 265.360 3.279 20 30 CGEDMO N#Cc1csc(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c1 ZINC000597247826 347562227 /nfs/dbraw/zinc/56/22/27/347562227.db2.gz FDGAXAQVOKPPPJ-IYBDPMFKSA-N 1 1 288.416 3.012 20 30 CGEDMO N#CCC1C[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000597194727 347548814 /nfs/dbraw/zinc/54/88/14/347548814.db2.gz YXOZBHORBAHFCK-UHFFFAOYSA-N 1 1 297.314 3.200 20 30 CGEDMO Cc1cc(C#N)cc(N[C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000598978659 347703165 /nfs/dbraw/zinc/70/31/65/347703165.db2.gz QCDZQBXGUBXEGN-AWEZNQCLSA-N 1 1 257.381 3.151 20 30 CGEDMO C[N@@H+]1CCCC[C@@H](CNCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000598993882 347704767 /nfs/dbraw/zinc/70/47/67/347704767.db2.gz DNASJDGGYBNFQU-KRWDZBQOSA-N 1 1 299.462 3.309 20 30 CGEDMO C[N@H+]1CCCC[C@@H](CNCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000598993882 347704771 /nfs/dbraw/zinc/70/47/71/347704771.db2.gz DNASJDGGYBNFQU-KRWDZBQOSA-N 1 1 299.462 3.309 20 30 CGEDMO CC[N@H+](Cc1ccc(Cl)cc1)C[C@@H](O)CC(C)(C)C#N ZINC000598586293 347666762 /nfs/dbraw/zinc/66/67/62/347666762.db2.gz DUFBYHSCXIMDFM-HNNXBMFYSA-N 1 1 294.826 3.463 20 30 CGEDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598593309 347668213 /nfs/dbraw/zinc/66/82/13/347668213.db2.gz SHHFKJIZMSSFGF-PVAVHDDUSA-N 1 1 286.419 3.165 20 30 CGEDMO CCCCC[C@H]1CCC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598593052 347668547 /nfs/dbraw/zinc/66/85/47/347668547.db2.gz OOIRCYJVDPNIFC-GJZGRUSLSA-N 1 1 266.429 3.332 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCCC[C@H]1c1ccco1 ZINC000598593622 347668564 /nfs/dbraw/zinc/66/85/64/347668564.db2.gz VLGFKKYSQGIJPB-KGLIPLIRSA-N 1 1 276.380 3.107 20 30 CGEDMO C[N@H+](Cc1cc2ccccc2o1)C[C@H](O)CC(C)(C)C#N ZINC000598595360 347669442 /nfs/dbraw/zinc/66/94/42/347669442.db2.gz NKQQTZJBSIJKPX-CQSZACIVSA-N 1 1 286.375 3.165 20 30 CGEDMO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598618440 347671452 /nfs/dbraw/zinc/67/14/52/347671452.db2.gz YGLYPPYELWZKEN-ILXRZTDVSA-N 1 1 280.456 3.434 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H](OCC)C1CC1 ZINC000599280607 347732007 /nfs/dbraw/zinc/73/20/07/347732007.db2.gz AAGVSXYTVMUZEX-SFHVURJKSA-N 1 1 284.403 3.361 20 30 CGEDMO CCOC[C@H]1CCC[N@@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599295773 347732522 /nfs/dbraw/zinc/73/25/22/347732522.db2.gz PJKAMNNSZCSJMD-INIZCTEOSA-N 1 1 272.392 3.115 20 30 CGEDMO Cc1ccc(C[N@@H+]2CC[C@@H](OCC(C)C)C2)cc1C#N ZINC000599310755 347734509 /nfs/dbraw/zinc/73/45/09/347734509.db2.gz BSYRFTLCDTZBMU-QGZVFWFLSA-N 1 1 272.392 3.114 20 30 CGEDMO CCO[C@H](C[N@@H+](CCC#N)CCC(C)C)C1CC1 ZINC000599308670 347734663 /nfs/dbraw/zinc/73/46/63/347734663.db2.gz WLHXDCROQLHTKV-OAHLLOKOSA-N 1 1 252.402 3.063 20 30 CGEDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C)c(C#N)c2)C[C@H]1C ZINC000599319438 347735195 /nfs/dbraw/zinc/73/51/95/347735195.db2.gz ZPTSZNKCOFFPPP-CRAIPNDOSA-N 1 1 285.435 3.171 20 30 CGEDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(C)c(C#N)c2)C[C@H]1C ZINC000599319438 347735200 /nfs/dbraw/zinc/73/52/00/347735200.db2.gz ZPTSZNKCOFFPPP-CRAIPNDOSA-N 1 1 285.435 3.171 20 30 CGEDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C)c(C#N)c2)C[C@H]1C ZINC000599319438 347735201 /nfs/dbraw/zinc/73/52/01/347735201.db2.gz ZPTSZNKCOFFPPP-CRAIPNDOSA-N 1 1 285.435 3.171 20 30 CGEDMO Cc1cnc([C@H](C)[NH2+]Cc2ccc(C)c(C#N)c2)s1 ZINC000599362787 347739640 /nfs/dbraw/zinc/73/96/40/347739640.db2.gz MGRLVDDDWNSWCV-LBPRGKRZSA-N 1 1 271.389 3.482 20 30 CGEDMO Cc1ccc(C[N@@H+]2C[C@H](C)OC3(CCCC3)C2)cc1C#N ZINC000599451793 347746042 /nfs/dbraw/zinc/74/60/42/347746042.db2.gz IJDHWAINRPQHNU-HNNXBMFYSA-N 1 1 284.403 3.400 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000599526281 347750735 /nfs/dbraw/zinc/75/07/35/347750735.db2.gz JMPZUSOHINIHDJ-CYBMUJFWSA-N 1 1 260.337 3.301 20 30 CGEDMO COC(=O)[C@@]1([NH2+]CCCC(C)(C)C#N)CCCC(C)(C)C1 ZINC000599558917 347754466 /nfs/dbraw/zinc/75/44/66/347754466.db2.gz PAJQJMSFTYIVJL-QGZVFWFLSA-N 1 1 294.439 3.418 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599582512 347756203 /nfs/dbraw/zinc/75/62/03/347756203.db2.gz MSVLDLAJXNWLAU-KGLIPLIRSA-N 1 1 267.413 3.252 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCc2c(O)cccc2C1 ZINC000599646356 347761539 /nfs/dbraw/zinc/76/15/39/347761539.db2.gz INQOSVUFOFNDPT-CYBMUJFWSA-N 1 1 278.355 3.383 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](c3ccc(O)cc3)C2)cc1 ZINC000600214157 347794723 /nfs/dbraw/zinc/79/47/23/347794723.db2.gz LQJMFIDGTPLGLB-QGZVFWFLSA-N 1 1 278.355 3.253 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCCNCc1cccc(F)c1C#N ZINC000601997867 347931976 /nfs/dbraw/zinc/93/19/76/347931976.db2.gz NHKXEYGFWWOGAD-CQSZACIVSA-N 1 1 289.398 3.051 20 30 CGEDMO CC[N@H+](Cc1ccc2c(c1)OCO2)C[C@@H](C)CCC#N ZINC000602430789 347955943 /nfs/dbraw/zinc/95/59/43/347955943.db2.gz DBOTZAKLMZYBSS-ZDUSSCGKSA-N 1 1 274.364 3.177 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)CCOc1ccccc1F ZINC000602436971 347957867 /nfs/dbraw/zinc/95/78/67/347957867.db2.gz PQJUYYBMPFXSCL-CYBMUJFWSA-N 1 1 264.344 3.076 20 30 CGEDMO N#Cc1cccc(C[N@@H+](Cc2ccco2)C2CCCC2)n1 ZINC000602440515 347958071 /nfs/dbraw/zinc/95/80/71/347958071.db2.gz UVKJNNJQUHQWAG-UHFFFAOYSA-N 1 1 281.359 3.491 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000602467923 347963053 /nfs/dbraw/zinc/96/30/53/347963053.db2.gz LAWGDOIUTZNECL-ZIAGYGMSSA-N 1 1 260.381 3.195 20 30 CGEDMO Cc1ccc(C[C@@H](C)[N@@H+](C)Cc2cccc(C#N)n2)cc1 ZINC000602473176 347963804 /nfs/dbraw/zinc/96/38/04/347963804.db2.gz JWPNAPOUMXQGPW-OAHLLOKOSA-N 1 1 279.387 3.325 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000602472475 347964185 /nfs/dbraw/zinc/96/41/85/347964185.db2.gz KLPVBTAXGGYEPL-WBVHZDCISA-N 1 1 272.392 3.174 20 30 CGEDMO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1cccc(C#N)n1 ZINC000602473183 347964303 /nfs/dbraw/zinc/96/43/03/347964303.db2.gz LNQCXSLLUMWZGL-GOEBONIOSA-N 1 1 277.371 3.331 20 30 CGEDMO CC[N@@H+](C[C@H](C)CCC#N)[C@@H]1CCN(c2ccccc2)C1=O ZINC000602477276 347965036 /nfs/dbraw/zinc/96/50/36/347965036.db2.gz ZZDSAVSQSFPALJ-NVXWUHKLSA-N 1 1 299.418 3.054 20 30 CGEDMO C[C@H]1C[N@H+](Cc2cccc(C#N)n2)[C@H]1c1ccccc1 ZINC000602486584 347967710 /nfs/dbraw/zinc/96/77/10/347967710.db2.gz VBOFZYLBGUJNAB-SUMWQHHRSA-N 1 1 263.344 3.146 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cccc(C#N)n2)[C@H]1c1ccccc1 ZINC000602486584 347967712 /nfs/dbraw/zinc/96/77/12/347967712.db2.gz VBOFZYLBGUJNAB-SUMWQHHRSA-N 1 1 263.344 3.146 20 30 CGEDMO Cc1cc(C[NH2+]C2(c3cccc(C#N)c3)CC2)sn1 ZINC000602583125 347988209 /nfs/dbraw/zinc/98/82/09/347988209.db2.gz QCWDPLJEKXASRM-UHFFFAOYSA-N 1 1 269.373 3.102 20 30 CGEDMO CC1(C)C[N@H+](Cc2cccc(C#N)n2)CC[C@@H]1C(F)(F)F ZINC000602635691 347997563 /nfs/dbraw/zinc/99/75/63/347997563.db2.gz UHKVTQDXXMKPRK-ZDUSSCGKSA-N 1 1 297.324 3.364 20 30 CGEDMO CC1(C)C[N@@H+](Cc2cccc(C#N)n2)CC[C@@H]1C(F)(F)F ZINC000602635691 347997565 /nfs/dbraw/zinc/99/75/65/347997565.db2.gz UHKVTQDXXMKPRK-ZDUSSCGKSA-N 1 1 297.324 3.364 20 30 CGEDMO C[C@H](CCC#N)C[NH2+]CC(F)(F)c1ccccc1 ZINC000602642155 347999749 /nfs/dbraw/zinc/99/97/49/347999749.db2.gz IAZRRVHOCYXYBF-GFCCVEGCSA-N 1 1 252.308 3.308 20 30 CGEDMO C[C@H](CCC#N)C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000602647362 348000678 /nfs/dbraw/zinc/00/06/78/348000678.db2.gz HLFORUATYXJCRE-AEFFLSMTSA-N 1 1 285.435 3.038 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccns1 ZINC000602693012 348010461 /nfs/dbraw/zinc/01/04/61/348010461.db2.gz POQMWJDUSGFMAL-NSHDSACASA-N 1 1 257.362 3.208 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccns1 ZINC000602693012 348010466 /nfs/dbraw/zinc/01/04/66/348010466.db2.gz POQMWJDUSGFMAL-NSHDSACASA-N 1 1 257.362 3.208 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C)C1CC(OC(C)(C)C)C1 ZINC000602698979 348011908 /nfs/dbraw/zinc/01/19/08/348011908.db2.gz OORXHXBGJGBXCS-HSBZDZAISA-N 1 1 252.402 3.204 20 30 CGEDMO Cc1ncccc1OC[C@@H]1CCC[N@@H+]1C[C@H](C)CCC#N ZINC000602700285 348012747 /nfs/dbraw/zinc/01/27/47/348012747.db2.gz UUZJLQOLVJIUJC-ZBFHGGJFSA-N 1 1 287.407 3.173 20 30 CGEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCO[C@H]1C ZINC000602765863 348025228 /nfs/dbraw/zinc/02/52/28/348025228.db2.gz NIUNUMAPGNGUPC-YJBOKZPZSA-N 1 1 286.419 3.441 20 30 CGEDMO CC[N@@H+](Cc1cnc(OC)c2ccccc12)C[C@@H](C)C#N ZINC000602768780 348026176 /nfs/dbraw/zinc/02/61/76/348026176.db2.gz AQLVANMNNQUMPQ-ZDUSSCGKSA-N 1 1 283.375 3.225 20 30 CGEDMO CC[N@H+](Cc1cnc(OC)c2ccccc12)C[C@@H](C)C#N ZINC000602768780 348026179 /nfs/dbraw/zinc/02/61/79/348026179.db2.gz AQLVANMNNQUMPQ-ZDUSSCGKSA-N 1 1 283.375 3.225 20 30 CGEDMO C[C@H]1C[N@H+](CC2(CC#N)CC2)[C@H](c2ccccc2)CO1 ZINC000602779154 348027255 /nfs/dbraw/zinc/02/72/55/348027255.db2.gz BLSIFQMKEIVJOW-HOCLYGCPSA-N 1 1 270.376 3.142 20 30 CGEDMO C[C@H]1C[N@@H+](CC2(CC#N)CC2)[C@H](c2ccccc2)CO1 ZINC000602779154 348027257 /nfs/dbraw/zinc/02/72/57/348027257.db2.gz BLSIFQMKEIVJOW-HOCLYGCPSA-N 1 1 270.376 3.142 20 30 CGEDMO C[N@H+](Cc1cc(F)c(F)c(F)c1)CC1(CC#N)CC1 ZINC000602800291 348031675 /nfs/dbraw/zinc/03/16/75/348031675.db2.gz HKRKEEYFDCTPGG-UHFFFAOYSA-N 1 1 268.282 3.230 20 30 CGEDMO C[N@@H+](Cc1cc(F)c(F)c(F)c1)CC1(CC#N)CC1 ZINC000602800291 348031680 /nfs/dbraw/zinc/03/16/80/348031680.db2.gz HKRKEEYFDCTPGG-UHFFFAOYSA-N 1 1 268.282 3.230 20 30 CGEDMO CN1CC[N@@H+](CCCCC(C)(C)C#N)C[C@@H]1C(C)(C)C ZINC000602872291 348039357 /nfs/dbraw/zinc/03/93/57/348039357.db2.gz BTPUQRTUBVNPSS-OAHLLOKOSA-N 1 1 279.472 3.369 20 30 CGEDMO C[N@@H+]1CCN(CCCCC(C)(C)C#N)C[C@@H]1C(C)(C)C ZINC000602872291 348039359 /nfs/dbraw/zinc/03/93/59/348039359.db2.gz BTPUQRTUBVNPSS-OAHLLOKOSA-N 1 1 279.472 3.369 20 30 CGEDMO C[N@H+]1CCN(CCCCC(C)(C)C#N)C[C@@H]1C(C)(C)C ZINC000602872291 348039360 /nfs/dbraw/zinc/03/93/60/348039360.db2.gz BTPUQRTUBVNPSS-OAHLLOKOSA-N 1 1 279.472 3.369 20 30 CGEDMO C[N@H+](CCC1(C#N)CCCCC1)Cc1ccns1 ZINC000602880538 348040169 /nfs/dbraw/zinc/04/01/69/348040169.db2.gz AQWCULIMUVODHU-UHFFFAOYSA-N 1 1 263.410 3.439 20 30 CGEDMO C[N@@H+](CCC1(C#N)CCCCC1)Cc1ccns1 ZINC000602880538 348040173 /nfs/dbraw/zinc/04/01/73/348040173.db2.gz AQWCULIMUVODHU-UHFFFAOYSA-N 1 1 263.410 3.439 20 30 CGEDMO N#CC1(CC[N@H+]2CCC[C@H]2c2cn[nH]c2)CCCCC1 ZINC000602880980 348040269 /nfs/dbraw/zinc/04/02/69/348040269.db2.gz PJPOJTDEZYSISW-HNNXBMFYSA-N 1 1 272.396 3.411 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602886091 348040810 /nfs/dbraw/zinc/04/08/10/348040810.db2.gz GNTVMZRLGFKZDO-HIFRSBDPSA-N 1 1 280.375 3.111 20 30 CGEDMO Cn1cc(C2=CCC[N@@H+](CCCCC(C)(C)C#N)C2)cn1 ZINC000602883958 348041018 /nfs/dbraw/zinc/04/10/18/348041018.db2.gz TZOVXUUXTQWDOM-UHFFFAOYSA-N 1 1 286.423 3.229 20 30 CGEDMO COc1ccc(OCCC[N@@H+](C)[C@H]2CCC[C@@H]2C#N)cc1 ZINC000602976840 348049094 /nfs/dbraw/zinc/04/90/94/348049094.db2.gz UGDAMWYOIQDROX-PBHICJAKSA-N 1 1 288.391 3.088 20 30 CGEDMO COc1ccc(OCCC[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000602976841 348049174 /nfs/dbraw/zinc/04/91/74/348049174.db2.gz UGDAMWYOIQDROX-RHSMWYFYSA-N 1 1 288.391 3.088 20 30 CGEDMO Cc1nccc([C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)n1 ZINC000603833999 348097303 /nfs/dbraw/zinc/09/73/03/348097303.db2.gz CLAOUQJIQKARLS-QGZVFWFLSA-N 1 1 292.386 3.036 20 30 CGEDMO COc1ccc2c(c1)CCC[N@H+](CCCCC#N)C2 ZINC000609133970 348337139 /nfs/dbraw/zinc/33/71/39/348337139.db2.gz QRFKKSPLQQJTMF-UHFFFAOYSA-N 1 1 258.365 3.137 20 30 CGEDMO CCC(CC)C[N@H+](CCC#N)CCCc1cnn(C)c1 ZINC000610392379 348380288 /nfs/dbraw/zinc/38/02/88/348380288.db2.gz DLSQEVAQIGNBLV-UHFFFAOYSA-N 1 1 276.428 3.005 20 30 CGEDMO Cc1ccc(C[N@@H+](CCCSCC#N)C2CC2)o1 ZINC000610409598 348381588 /nfs/dbraw/zinc/38/15/88/348381588.db2.gz JVSIMJJMDNGYNT-UHFFFAOYSA-N 1 1 264.394 3.199 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCc2ccc(O)cc2CC1 ZINC000610447719 348383306 /nfs/dbraw/zinc/38/33/06/348383306.db2.gz DZOMJTKOFKQUTO-UHFFFAOYSA-N 1 1 272.392 3.123 20 30 CGEDMO C[N@@H+](CCC1CCCCC1)Cc1ccnc(C#N)c1 ZINC000610992197 348415499 /nfs/dbraw/zinc/41/54/99/348415499.db2.gz KWMMEDRVVULENU-UHFFFAOYSA-N 1 1 257.381 3.355 20 30 CGEDMO Cc1nc(C(C)(C)[NH2+]Cc2ccnc(C#N)c2)sc1C ZINC000610994331 348416698 /nfs/dbraw/zinc/41/66/98/348416698.db2.gz AIAPKSCKJSZZJT-UHFFFAOYSA-N 1 1 286.404 3.052 20 30 CGEDMO C[N@@H+](CCCOC(C)(C)C)Cc1cccc(C#N)c1 ZINC000610681230 348395926 /nfs/dbraw/zinc/39/59/26/348395926.db2.gz GUTDDEZTFRCUAW-UHFFFAOYSA-N 1 1 260.381 3.195 20 30 CGEDMO CC[C@@H]1CCC[N@@H+]1Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000611346649 348440134 /nfs/dbraw/zinc/44/01/34/348440134.db2.gz AJYUJHSZLKWTCH-OAHLLOKOSA-N 1 1 294.402 3.427 20 30 CGEDMO CC[C@@H]1CCC[N@H+]1Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000611346649 348440136 /nfs/dbraw/zinc/44/01/36/348440136.db2.gz AJYUJHSZLKWTCH-OAHLLOKOSA-N 1 1 294.402 3.427 20 30 CGEDMO COc1ccc(C[N@@H+](C)CCC(C)(C)C#N)cc1OC ZINC000611462427 348453727 /nfs/dbraw/zinc/45/37/27/348453727.db2.gz QLTCVKZWAZDYNA-UHFFFAOYSA-N 1 1 276.380 3.075 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000612162094 348497951 /nfs/dbraw/zinc/49/79/51/348497951.db2.gz KHTGGAZTQKREGK-CVEARBPZSA-N 1 1 258.340 3.439 20 30 CGEDMO C[C@@]1(C#N)CCC[N@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000612162094 348497953 /nfs/dbraw/zinc/49/79/53/348497953.db2.gz KHTGGAZTQKREGK-CVEARBPZSA-N 1 1 258.340 3.439 20 30 CGEDMO CCc1ccc(CC[N@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612158296 348497966 /nfs/dbraw/zinc/49/79/66/348497966.db2.gz KDKZPETWVVAAHO-QGZVFWFLSA-N 1 1 256.393 3.417 20 30 CGEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)CNCC(C)(C)C#N ZINC000612585193 348530215 /nfs/dbraw/zinc/53/02/15/348530215.db2.gz REDXSBGAKWFMPY-UHFFFAOYSA-N 1 1 287.451 3.284 20 30 CGEDMO C[C@H]1C[C@@H](Nc2nc(C(C)(C)C)ccc2C#N)CC[N@H+]1C ZINC000613426130 348600596 /nfs/dbraw/zinc/60/05/96/348600596.db2.gz SHTFQUUQZYYMKG-JSGCOSHPSA-N 1 1 286.423 3.145 20 30 CGEDMO C[C@@H](Nc1nc(C(C)(C)C)ccc1C#N)C1=CC[N@@H+](C)CC1 ZINC000613429290 348601738 /nfs/dbraw/zinc/60/17/38/348601738.db2.gz PRDMGAMTXFRVSH-CYBMUJFWSA-N 1 1 298.434 3.313 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@@H+](CCO)C2CCCC2)cc1 ZINC000614170681 348654645 /nfs/dbraw/zinc/65/46/45/348654645.db2.gz GDFRYPJGCGWXHC-UHFFFAOYSA-N 1 1 286.419 3.225 20 30 CGEDMO CC[N@H+]1C[C@H](C)N(Cc2ccc(C(C)(C)C#N)cc2)C[C@H]1C ZINC000614178483 348655516 /nfs/dbraw/zinc/65/55/16/348655516.db2.gz FQICNVNCRUTTJE-CVEARBPZSA-N 1 1 299.462 3.402 20 30 CGEDMO CCN1C[C@H](C)[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@H]1C ZINC000614178483 348655518 /nfs/dbraw/zinc/65/55/18/348655518.db2.gz FQICNVNCRUTTJE-CVEARBPZSA-N 1 1 299.462 3.402 20 30 CGEDMO CCN1C[C@H](C)[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@H]1C ZINC000614178483 348655520 /nfs/dbraw/zinc/65/55/20/348655520.db2.gz FQICNVNCRUTTJE-CVEARBPZSA-N 1 1 299.462 3.402 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000614403116 348674314 /nfs/dbraw/zinc/67/43/14/348674314.db2.gz FFJSXFOVOVZMIX-GOSISDBHSA-N 1 1 284.403 3.115 20 30 CGEDMO CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000614922616 348700294 /nfs/dbraw/zinc/70/02/94/348700294.db2.gz YJKLKVJXJYSHDW-AWEZNQCLSA-N 1 1 298.308 3.102 20 30 CGEDMO CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000614922616 348700295 /nfs/dbraw/zinc/70/02/95/348700295.db2.gz YJKLKVJXJYSHDW-AWEZNQCLSA-N 1 1 298.308 3.102 20 30 CGEDMO C[C@H]1CCCCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000358403505 233126312 /nfs/dbraw/zinc/12/63/12/233126312.db2.gz WBCFWZYKTRDCDH-LBPRGKRZSA-N 1 1 291.420 3.213 20 30 CGEDMO Cc1c([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)cnn1C ZINC000358562496 233155175 /nfs/dbraw/zinc/15/51/75/233155175.db2.gz GWUSTPHKPOPGBN-GHMZBOCLSA-N 1 1 286.354 3.151 20 30 CGEDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000618594271 349115964 /nfs/dbraw/zinc/11/59/64/349115964.db2.gz YSHTZZIOLYQMQB-SFHVURJKSA-N 1 1 294.402 3.246 20 30 CGEDMO Cc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)ccc1C#N ZINC000618752602 349152994 /nfs/dbraw/zinc/15/29/94/349152994.db2.gz HSZHQCIDRDQXKB-CYBMUJFWSA-N 1 1 268.282 3.251 20 30 CGEDMO C[C@@H]1C[C@H](C)[N@H+]1Cc1ccc(C#N)cc1Br ZINC000619285160 349227577 /nfs/dbraw/zinc/22/75/77/349227577.db2.gz ABGFLQRCZUSHSV-AOOOYVTPSA-N 1 1 279.181 3.303 20 30 CGEDMO C[C@@H]1C[C@H](C)[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000619285160 349227579 /nfs/dbraw/zinc/22/75/79/349227579.db2.gz ABGFLQRCZUSHSV-AOOOYVTPSA-N 1 1 279.181 3.303 20 30 CGEDMO N#C[C@H]1CC[C@@H]([NH2+]Cc2c(F)c(F)cc(F)c2F)C1 ZINC000619673107 349269138 /nfs/dbraw/zinc/26/91/38/349269138.db2.gz UMBRETMGYXCONJ-JGVFFNPUSA-N 1 1 272.245 3.025 20 30 CGEDMO Cc1ccccc1[C@@]1(F)CC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000619723752 349278624 /nfs/dbraw/zinc/27/86/24/349278624.db2.gz JXORQWQWAPRLRQ-GOSISDBHSA-N 1 1 295.361 3.332 20 30 CGEDMO Cc1ccccc1[C@@]1(F)CC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000619723752 349278627 /nfs/dbraw/zinc/27/86/27/349278627.db2.gz JXORQWQWAPRLRQ-GOSISDBHSA-N 1 1 295.361 3.332 20 30 CGEDMO CC[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1nccn1C ZINC000619755112 349281717 /nfs/dbraw/zinc/28/17/17/349281717.db2.gz UAILQQNMAOGFCQ-AWEZNQCLSA-N 1 1 288.782 3.186 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000620310955 349355393 /nfs/dbraw/zinc/35/53/93/349355393.db2.gz XEEMLHBFPYUTQH-KSZLIROESA-N 1 1 298.430 3.389 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000625699619 350197570 /nfs/dbraw/zinc/19/75/70/350197570.db2.gz BCKPWSZISFANJK-ZDUSSCGKSA-N 1 1 268.360 3.338 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2csc([C@@H](C)OC)n2)C1 ZINC000625699962 350198124 /nfs/dbraw/zinc/19/81/24/350198124.db2.gz FPWNXTUTSNSLRB-VXGBXAGGSA-N 1 1 266.410 3.249 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2csc([C@@H](C)OC)n2)C1 ZINC000625699962 350198126 /nfs/dbraw/zinc/19/81/26/350198126.db2.gz FPWNXTUTSNSLRB-VXGBXAGGSA-N 1 1 266.410 3.249 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2nc(-c3ccsc3)no2)C1 ZINC000625701165 350198424 /nfs/dbraw/zinc/19/84/24/350198424.db2.gz NSHZFIWGHYIFBC-LLVKDONJSA-N 1 1 275.377 3.196 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2nc(CCc3ccccc3)no2)C1 ZINC000625701111 350198471 /nfs/dbraw/zinc/19/84/71/350198471.db2.gz OMESGLXOBAYDIW-MRXNPFEDSA-N 1 1 297.402 3.253 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cc(OC)ccc2OC)C1 ZINC000625702117 350199369 /nfs/dbraw/zinc/19/93/69/350199369.db2.gz DCVAVAXOULGRFK-ZDUSSCGKSA-N 1 1 261.365 3.102 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(OC)cc3)o2)C1 ZINC000625703677 350199751 /nfs/dbraw/zinc/19/97/51/350199751.db2.gz OILOUJGGYIAGHZ-CYBMUJFWSA-N 1 1 299.374 3.143 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](CCCCC2CCOCC2)C1 ZINC000625704459 350200724 /nfs/dbraw/zinc/20/07/24/350200724.db2.gz YBPXNDUSEIPQPL-INIZCTEOSA-N 1 1 251.414 3.481 20 30 CGEDMO C=CCC1([NH2+]CC[C@@H]2CCCN2C)CCCCC1 ZINC000625935398 350233487 /nfs/dbraw/zinc/23/34/87/350233487.db2.gz YNYJGRFOIKWWBS-HNNXBMFYSA-N 1 1 250.430 3.339 20 30 CGEDMO C=CC[N@@H+](Cc1cc(-c2ccccc2)no1)C1CC1 ZINC000271372011 191103453 /nfs/dbraw/zinc/10/34/53/191103453.db2.gz GZTRTGMZZSUEBZ-UHFFFAOYSA-N 1 1 254.333 3.492 20 30 CGEDMO Cc1ncc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)o1 ZINC000628233506 350455435 /nfs/dbraw/zinc/45/54/35/350455435.db2.gz GZYPPUPNTKYQRI-UHFFFAOYSA-N 1 1 294.276 3.143 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cccc(OCCOC)c2)C1 ZINC000628405816 350529989 /nfs/dbraw/zinc/52/99/89/350529989.db2.gz VNEUOGWTOCYVSN-OAHLLOKOSA-N 1 1 275.392 3.110 20 30 CGEDMO C#CCOc1ccccc1C[NH2+][C@@H](C)c1cncs1 ZINC000271490712 191170972 /nfs/dbraw/zinc/17/09/72/191170972.db2.gz OXFLGWSQIRWAAF-LBPRGKRZSA-N 1 1 272.373 3.006 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](OCC3CC3)C2)cc1F ZINC000364587397 234052464 /nfs/dbraw/zinc/05/24/64/234052464.db2.gz BWKNDXLGVOSQRQ-INIZCTEOSA-N 1 1 288.366 3.088 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000292062456 198148604 /nfs/dbraw/zinc/14/86/04/198148604.db2.gz CRLFHETTWQNAEM-KSSFIOAISA-N 1 1 284.403 3.368 20 30 CGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292110656 198166090 /nfs/dbraw/zinc/16/60/90/198166090.db2.gz HCGUSOKCHABJLO-RHSMWYFYSA-N 1 1 293.370 3.168 20 30 CGEDMO Cc1nc(N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccc1C#N ZINC000292089018 198159602 /nfs/dbraw/zinc/15/96/02/198159602.db2.gz YNEUTGASFGFVBV-HOCLYGCPSA-N 1 1 298.434 3.327 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@H]2c2ccncc2)cc1C#N ZINC000153936733 188112252 /nfs/dbraw/zinc/11/22/52/188112252.db2.gz XUPBHBAXWVOAJC-KRWDZBQOSA-N 1 1 293.370 3.299 20 30 CGEDMO COCC[C@H]1CCCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000368659400 234329209 /nfs/dbraw/zinc/32/92/09/234329209.db2.gz NNODKHTWYTYZFF-CQSZACIVSA-N 1 1 290.382 3.336 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000295187799 199395274 /nfs/dbraw/zinc/39/52/74/199395274.db2.gz ABUBGSHOCHTROQ-CJNGLKHVSA-N 1 1 272.392 3.102 20 30 CGEDMO C#CC[C@@H]([NH2+]Cc1ncc(C)s1)c1ccccc1 ZINC000271719347 191290477 /nfs/dbraw/zinc/29/04/77/191290477.db2.gz PQSWUISCCLHYSA-CQSZACIVSA-N 1 1 256.374 3.306 20 30 CGEDMO N#Cc1ccc(N2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC000265625912 283156726 /nfs/dbraw/zinc/15/67/26/283156726.db2.gz ZCPWVKOGFGNISY-UHFFFAOYSA-N 1 1 269.392 3.013 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c1F ZINC000300239223 283205776 /nfs/dbraw/zinc/20/57/76/283205776.db2.gz LZQBHISUYIIFNC-SWLSCSKDSA-N 1 1 258.340 3.462 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000459501855 283212630 /nfs/dbraw/zinc/21/26/30/283212630.db2.gz FDRLUHPUVNSAPN-OKILXGFUSA-N 1 1 285.347 3.088 20 30 CGEDMO C[C@@H]1CC[C@H](C)C[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000088704580 138342554 /nfs/dbraw/zinc/34/25/54/138342554.db2.gz OJCKWXHGJULAAU-UONOGXRCSA-N 1 1 285.391 3.007 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000336257010 213093762 /nfs/dbraw/zinc/09/37/62/213093762.db2.gz ZRABHQIIZXFOOK-OAHLLOKOSA-N 1 1 295.361 3.472 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000336257010 213093765 /nfs/dbraw/zinc/09/37/65/213093765.db2.gz ZRABHQIIZXFOOK-OAHLLOKOSA-N 1 1 295.361 3.472 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC23CCC3)c(OC(F)F)c1 ZINC000437894681 237368800 /nfs/dbraw/zinc/36/88/00/237368800.db2.gz YLVOWVDXGANTHO-UHFFFAOYSA-N 1 1 278.302 3.288 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC23CCC3)c(OC(F)F)c1 ZINC000437894681 237368805 /nfs/dbraw/zinc/36/88/05/237368805.db2.gz YLVOWVDXGANTHO-UHFFFAOYSA-N 1 1 278.302 3.288 20 30 CGEDMO COc1ccc(C2([NH2+]Cc3cccc(C#N)c3F)CC2)cc1 ZINC000341687144 216066685 /nfs/dbraw/zinc/06/66/85/216066685.db2.gz XVRBWBMCHQFXLQ-UHFFFAOYSA-N 1 1 296.345 3.485 20 30 CGEDMO CC(C)[C@@H](C)[N@@H+](C)Cc1cn2ccccc2c1C#N ZINC000341805948 216111863 /nfs/dbraw/zinc/11/18/63/216111863.db2.gz FQTAHGVPBYNPOW-CYBMUJFWSA-N 1 1 255.365 3.287 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1c1nc2ccccc2n1CC ZINC000177118979 189030228 /nfs/dbraw/zinc/03/02/28/189030228.db2.gz JLAIGXRQUIJKPL-HNNXBMFYSA-N 1 1 255.365 3.379 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1c1nc2ccccc2n1CC ZINC000177118979 189030229 /nfs/dbraw/zinc/03/02/29/189030229.db2.gz JLAIGXRQUIJKPL-HNNXBMFYSA-N 1 1 255.365 3.379 20 30 CGEDMO C=CC[NH+]1CCC(N[C@H](C)c2ccc(F)cc2F)CC1 ZINC000177906870 189078641 /nfs/dbraw/zinc/07/86/41/189078641.db2.gz DEXVYFDMYDYJJO-GFCCVEGCSA-N 1 1 280.362 3.266 20 30 CGEDMO Cc1ccc(C#N)c(NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)n1 ZINC000342110785 216221232 /nfs/dbraw/zinc/22/12/32/216221232.db2.gz ITFZPHKANWSNMU-CYBMUJFWSA-N 1 1 286.423 3.184 20 30 CGEDMO COc1cc(C#N)ccc1C[NH+]1CCC(C(F)(F)F)CC1 ZINC000179661374 189211353 /nfs/dbraw/zinc/21/13/53/189211353.db2.gz RCMDZHPISFMKKN-UHFFFAOYSA-N 1 1 298.308 3.341 20 30 CGEDMO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000179708469 189215449 /nfs/dbraw/zinc/21/54/49/189215449.db2.gz WVLGRQPGVJLJQN-HNNXBMFYSA-N 1 1 271.389 3.295 20 30 CGEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)s2)C12CCC2 ZINC000180729186 189272217 /nfs/dbraw/zinc/27/22/17/189272217.db2.gz HLEWKVWORMIWIU-HUUCEWRRSA-N 1 1 290.432 3.399 20 30 CGEDMO N#Cc1ccc(N[C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000301484350 201024561 /nfs/dbraw/zinc/02/45/61/201024561.db2.gz YKCPGAAHUJRKOT-QGZVFWFLSA-N 1 1 269.392 3.235 20 30 CGEDMO C[C@H](C[N@H+](C)Cc1ccccc1)NCc1ccc(C#N)s1 ZINC000182683316 189331504 /nfs/dbraw/zinc/33/15/04/189331504.db2.gz XOFJGUUGOVTPJV-CQSZACIVSA-N 1 1 299.443 3.230 20 30 CGEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NCc1ccc(C#N)s1 ZINC000182683316 189331505 /nfs/dbraw/zinc/33/15/05/189331505.db2.gz XOFJGUUGOVTPJV-CQSZACIVSA-N 1 1 299.443 3.230 20 30 CGEDMO C[C@@H]1C[N@H+](CCC(C)(C)C#N)[C@H](c2ccccc2)CO1 ZINC000119956348 370726341 /nfs/dbraw/zinc/72/63/41/370726341.db2.gz USUYXGQNGZHQQE-ZBFHGGJFSA-N 1 1 272.392 3.388 20 30 CGEDMO C[C@@H]1C[N@@H+](CCC(C)(C)C#N)[C@H](c2ccccc2)CO1 ZINC000119956348 370726343 /nfs/dbraw/zinc/72/63/43/370726343.db2.gz USUYXGQNGZHQQE-ZBFHGGJFSA-N 1 1 272.392 3.388 20 30 CGEDMO Cn1cc(Cl)cc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000120135222 370741553 /nfs/dbraw/zinc/74/15/53/370741553.db2.gz ZRNNPTHYUOJQMQ-UHFFFAOYSA-N 1 1 273.767 3.182 20 30 CGEDMO Cn1cc(Cl)cc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000120135222 370741557 /nfs/dbraw/zinc/74/15/57/370741557.db2.gz ZRNNPTHYUOJQMQ-UHFFFAOYSA-N 1 1 273.767 3.182 20 30 CGEDMO Cc1[nH+]ccn1CCCN(C)c1cc(Cl)ccc1C#N ZINC000120194930 370747116 /nfs/dbraw/zinc/74/71/16/370747116.db2.gz BUFSKUGGMPRKRE-UHFFFAOYSA-N 1 1 288.782 3.243 20 30 CGEDMO C[C@@H]1CCC(C)(C)[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000452019827 240395835 /nfs/dbraw/zinc/39/58/35/240395835.db2.gz ZCYJOPLPEXYRFW-LLVKDONJSA-N 1 1 291.420 3.211 20 30 CGEDMO CC(C)C[N@@H+]1CCC[C@H](CNCc2ccc(C#N)cc2)C1 ZINC000120843091 370806313 /nfs/dbraw/zinc/80/63/13/370806313.db2.gz CJPVFBYFARSYBS-GOSISDBHSA-N 1 1 285.435 3.016 20 30 CGEDMO CC(C)C[N@H+]1CCC[C@H](CNCc2ccc(C#N)cc2)C1 ZINC000120843091 370806319 /nfs/dbraw/zinc/80/63/19/370806319.db2.gz CJPVFBYFARSYBS-GOSISDBHSA-N 1 1 285.435 3.016 20 30 CGEDMO C=CC[N@@H+](C)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000121198171 370839921 /nfs/dbraw/zinc/83/99/21/370839921.db2.gz JGIOPONZYUBEJR-UHFFFAOYSA-N 1 1 270.163 3.259 20 30 CGEDMO C=CC[N@H+](C)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000121198171 370839926 /nfs/dbraw/zinc/83/99/26/370839926.db2.gz JGIOPONZYUBEJR-UHFFFAOYSA-N 1 1 270.163 3.259 20 30 CGEDMO N#Cc1ccc(C[NH+]2CC(Cc3ccc(F)c(F)c3)C2)o1 ZINC000459625315 242150173 /nfs/dbraw/zinc/15/01/73/242150173.db2.gz IJBNYTIVSPDOJZ-UHFFFAOYSA-N 1 1 288.297 3.104 20 30 CGEDMO C[C@H]1C[C@@H](Nc2c(Cl)cccc2C#N)CC[N@H+]1C ZINC000462885400 242372154 /nfs/dbraw/zinc/37/21/54/242372154.db2.gz UQRKAEZOZIDFEH-JQWIXIFHSA-N 1 1 263.772 3.106 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(C)cc1 ZINC000126091024 370942853 /nfs/dbraw/zinc/94/28/53/370942853.db2.gz NLDRQEYSEUUOBM-INIZCTEOSA-N 1 1 286.419 3.016 20 30 CGEDMO C[C@@H](N[C@@H](C)C[NH+]1CCCCC1)c1ccc(C#N)cc1 ZINC000037153946 369069204 /nfs/dbraw/zinc/06/92/04/369069204.db2.gz NZBBEQCPJSEHMQ-LSDHHAIUSA-N 1 1 271.408 3.083 20 30 CGEDMO CC(C)[C@H](C[NH2+][C@H](C)c1cccc(C#N)c1)N1CCCC1 ZINC000037240607 369078110 /nfs/dbraw/zinc/07/81/10/369078110.db2.gz LMPNLHUYNHGZSR-QAPCUYQASA-N 1 1 285.435 3.329 20 30 CGEDMO C[C@@H](CC#N)[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000038012475 369140489 /nfs/dbraw/zinc/14/04/89/369140489.db2.gz LQMMYQATXBGYOV-UWVGGRQHSA-N 1 1 267.170 3.402 20 30 CGEDMO CCC(CC)[N@@H+](CCOC)Cc1ccccc1C#N ZINC000042616406 369226521 /nfs/dbraw/zinc/22/65/21/369226521.db2.gz VOSRKJNBTAGJMV-UHFFFAOYSA-N 1 1 260.381 3.195 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCOc2ccccc2C#N)[C@@H]1C ZINC000050564768 369441973 /nfs/dbraw/zinc/44/19/73/369441973.db2.gz BXHCIWOZUYOSGC-ZIAGYGMSSA-N 1 1 258.365 3.057 20 30 CGEDMO C=CCNC(=O)C[N@@H+](Cc1ccccc1)C1CCCCC1 ZINC000054255749 369500563 /nfs/dbraw/zinc/50/05/63/369500563.db2.gz JGPCKLUPZPCJJI-UHFFFAOYSA-N 1 1 286.419 3.124 20 30 CGEDMO CSCC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000129021877 370971867 /nfs/dbraw/zinc/97/18/67/370971867.db2.gz QIYVKVURDLYFMC-SNVBAGLBSA-N 1 1 254.424 3.193 20 30 CGEDMO C[N@@H+]1CCC[C@H]2CN(CCCCC(C)(C)C#N)CC[C@H]21 ZINC000300187828 261181597 /nfs/dbraw/zinc/18/15/97/261181597.db2.gz HOXCHZMKYFFQOR-JKSUJKDBSA-N 1 1 277.456 3.123 20 30 CGEDMO C[N@H+]1CCC[C@H]2CN(CCCCC(C)(C)C#N)CC[C@H]21 ZINC000300187828 261181599 /nfs/dbraw/zinc/18/15/99/261181599.db2.gz HOXCHZMKYFFQOR-JKSUJKDBSA-N 1 1 277.456 3.123 20 30 CGEDMO C=CC[N@H+](CCc1ccnn1CC)Cc1ccccc1F ZINC000276315817 193285414 /nfs/dbraw/zinc/28/54/14/193285414.db2.gz NIXBYHURRZHQAM-UHFFFAOYSA-N 1 1 287.382 3.273 20 30 CGEDMO C=CCC[N@H+](C)CCC(=O)Nc1ccccc1Cl ZINC000276494349 193354878 /nfs/dbraw/zinc/35/48/78/193354878.db2.gz VJEGUHPBDAEMLR-UHFFFAOYSA-N 1 1 266.772 3.177 20 30 CGEDMO C=CCC[N@@H+](C)[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000276521179 193366354 /nfs/dbraw/zinc/36/63/54/193366354.db2.gz YXLWGSUIAOVGBH-CYBMUJFWSA-N 1 1 271.364 3.229 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000276521179 193366355 /nfs/dbraw/zinc/36/63/55/193366355.db2.gz YXLWGSUIAOVGBH-CYBMUJFWSA-N 1 1 271.364 3.229 20 30 CGEDMO COc1ccccc1C[C@@H]1CCC[N@H+]1CCCC#N ZINC000069683415 369766586 /nfs/dbraw/zinc/76/65/86/369766586.db2.gz YEBHFFVOTHEHER-HNNXBMFYSA-N 1 1 258.365 3.006 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000076737512 369941392 /nfs/dbraw/zinc/94/13/92/369941392.db2.gz NUDQEODGMVXCKB-ZIAGYGMSSA-N 1 1 292.398 3.289 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)N(CC)Cc1cccc(F)c1 ZINC000076737379 369941911 /nfs/dbraw/zinc/94/19/11/369941911.db2.gz PBMJJIJIZKTRRI-UHFFFAOYSA-N 1 1 292.398 3.072 20 30 CGEDMO C=CCOc1ccc(C[N@H+](CC)C[C@H](C)C#N)cc1 ZINC000091982318 370084169 /nfs/dbraw/zinc/08/41/69/370084169.db2.gz LHDVKDLAYVDDCG-CQSZACIVSA-N 1 1 258.365 3.233 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](CC)C[C@H](C)C#N)cc1 ZINC000091982318 370084174 /nfs/dbraw/zinc/08/41/74/370084174.db2.gz LHDVKDLAYVDDCG-CQSZACIVSA-N 1 1 258.365 3.233 20 30 CGEDMO CCCOc1ccc(C[N@H+](CC)C[C@H](C)C#N)cc1OC ZINC000091983660 370086250 /nfs/dbraw/zinc/08/62/50/370086250.db2.gz DNNUHOJZRVAFEY-CQSZACIVSA-N 1 1 290.407 3.466 20 30 CGEDMO CCCOc1ccc(C[N@@H+](CC)C[C@H](C)C#N)cc1OC ZINC000091983660 370086254 /nfs/dbraw/zinc/08/62/54/370086254.db2.gz DNNUHOJZRVAFEY-CQSZACIVSA-N 1 1 290.407 3.466 20 30 CGEDMO C=CCOc1ccc(C[N@H+](CC)C[C@H](C)C#N)cc1OC ZINC000091983430 370086289 /nfs/dbraw/zinc/08/62/89/370086289.db2.gz QTAZVPXALMOREP-CQSZACIVSA-N 1 1 288.391 3.242 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](CC)C[C@H](C)C#N)cc1OC ZINC000091983430 370086295 /nfs/dbraw/zinc/08/62/95/370086295.db2.gz QTAZVPXALMOREP-CQSZACIVSA-N 1 1 288.391 3.242 20 30 CGEDMO CC[C@@H]1CCCCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000093530166 370138502 /nfs/dbraw/zinc/13/85/02/370138502.db2.gz ALSWPMROZFDCRM-OAHLLOKOSA-N 1 1 282.391 3.361 20 30 CGEDMO CC(C)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000117347549 370587578 /nfs/dbraw/zinc/58/75/78/370587578.db2.gz MURFHRUJFMTPOM-KRWDZBQOSA-N 1 1 299.418 3.397 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](CC(C)C)C1CC1 ZINC000130438574 371033850 /nfs/dbraw/zinc/03/38/50/371033850.db2.gz YYWSZUYEBUNIOS-UHFFFAOYSA-N 1 1 258.365 3.187 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(OC)nc1 ZINC000131143939 371086072 /nfs/dbraw/zinc/08/60/72/371086072.db2.gz ZTPBJZMHBKTCNA-UHFFFAOYSA-N 1 1 298.386 3.287 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(OC)nc1 ZINC000131143939 371086076 /nfs/dbraw/zinc/08/60/76/371086076.db2.gz ZTPBJZMHBKTCNA-UHFFFAOYSA-N 1 1 298.386 3.287 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000132515919 371180790 /nfs/dbraw/zinc/18/07/90/371180790.db2.gz FXTPHCUDABAJST-UHFFFAOYSA-N 1 1 271.307 3.305 20 30 CGEDMO C=CCC[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000133048719 371222898 /nfs/dbraw/zinc/22/28/98/371222898.db2.gz YLMAGSXLWDPANC-UHFFFAOYSA-N 1 1 259.393 3.491 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1cccc2ccccc21)C1CC1 ZINC000537853769 376204821 /nfs/dbraw/zinc/20/48/21/376204821.db2.gz ZNEWXBYWYOQBQY-UHFFFAOYSA-N 1 1 280.371 3.429 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1cccc2ccccc21)C1CC1 ZINC000537853769 376204828 /nfs/dbraw/zinc/20/48/28/376204828.db2.gz ZNEWXBYWYOQBQY-UHFFFAOYSA-N 1 1 280.371 3.429 20 30 CGEDMO CSCC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000134849714 371368562 /nfs/dbraw/zinc/36/85/62/371368562.db2.gz ZMZTXCZBHOVRAS-LLVKDONJSA-N 1 1 266.385 3.271 20 30 CGEDMO CSCC[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000134849695 371368782 /nfs/dbraw/zinc/36/87/82/371368782.db2.gz ZMZTXCZBHOVRAS-NSHDSACASA-N 1 1 266.385 3.271 20 30 CGEDMO COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC000135129804 371392586 /nfs/dbraw/zinc/39/25/86/371392586.db2.gz AQGKMMUJSHTRKR-LLVKDONJSA-N 1 1 256.305 3.011 20 30 CGEDMO C[N@H+](Cc1ccccc1C(C)(C)C#N)C[C@@H]1CCCCO1 ZINC000135139208 371394111 /nfs/dbraw/zinc/39/41/11/371394111.db2.gz DYYZYVUQBPCKRU-INIZCTEOSA-N 1 1 286.419 3.489 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCOCC1(C)C ZINC000135138759 371394201 /nfs/dbraw/zinc/39/42/01/371394201.db2.gz RVKDAPPAEDIVTJ-UHFFFAOYSA-N 1 1 272.392 3.099 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCOCC1(C)C ZINC000135138759 371394204 /nfs/dbraw/zinc/39/42/04/371394204.db2.gz RVKDAPPAEDIVTJ-UHFFFAOYSA-N 1 1 272.392 3.099 20 30 CGEDMO N#Cc1ccccc1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134888201 371372523 /nfs/dbraw/zinc/37/25/23/371372523.db2.gz NLJQRILGQRGQOP-MJGOQNOKSA-N 1 1 295.430 3.007 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2cc(C#N)ccn2)C1 ZINC000286519884 371513321 /nfs/dbraw/zinc/51/33/21/371513321.db2.gz XKCJFAFCOIADKE-GASCZTMLSA-N 1 1 286.423 3.123 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cc(Br)cn1C ZINC000151565552 371613973 /nfs/dbraw/zinc/61/39/73/371613973.db2.gz AQCCOYFUSRXRLS-UHFFFAOYSA-N 1 1 271.202 3.186 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000287437768 371656930 /nfs/dbraw/zinc/65/69/30/371656930.db2.gz PZIHVJSJKRGIDZ-ZIAGYGMSSA-N 1 1 291.395 3.414 20 30 CGEDMO C=CCCC[N@H+]1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000287437768 371656934 /nfs/dbraw/zinc/65/69/34/371656934.db2.gz PZIHVJSJKRGIDZ-ZIAGYGMSSA-N 1 1 291.395 3.414 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000288112906 371731228 /nfs/dbraw/zinc/73/12/28/371731228.db2.gz HONGQCJDMAGGAM-DOTOQJQBSA-N 1 1 286.419 3.122 20 30 CGEDMO CCC(CC)C[N@@H+](CC)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000153883027 371795660 /nfs/dbraw/zinc/79/56/60/371795660.db2.gz KQBBAOWGMQKWBK-YOEHRIQHSA-N 1 1 295.471 3.187 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCS[C@@H](C(C)C)C1 ZINC000154151928 371822620 /nfs/dbraw/zinc/82/26/20/371822620.db2.gz SXAUIPYTJIEXLW-MRXNPFEDSA-N 1 1 290.432 3.140 20 30 CGEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)[C@@H]1C=CCCC1 ZINC000344070701 217037411 /nfs/dbraw/zinc/03/74/11/217037411.db2.gz MMRNIQZUNLIZIU-QGZVFWFLSA-N 1 1 270.376 3.115 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@@](CO)(CCC)C2)c1 ZINC000290009729 371878750 /nfs/dbraw/zinc/87/87/50/371878750.db2.gz DNMKAPUFQZIYST-SFHVURJKSA-N 1 1 289.419 3.236 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC000155132932 371907020 /nfs/dbraw/zinc/90/70/20/371907020.db2.gz RIGGHIRLVDHRIN-CQSZACIVSA-N 1 1 290.407 3.310 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCCC3(CCOCC3)C2)cc1 ZINC000290169790 371920299 /nfs/dbraw/zinc/92/02/99/371920299.db2.gz YEXJBJWWEIKRHO-UHFFFAOYSA-N 1 1 269.388 3.061 20 30 CGEDMO C[N@@H+](CCCOc1cccc(C#N)c1)C(C1CC1)C1CC1 ZINC000155913807 371953124 /nfs/dbraw/zinc/95/31/24/371953124.db2.gz QRBNJLRUSWFYKT-UHFFFAOYSA-N 1 1 284.403 3.448 20 30 CGEDMO Cc1cccc(CN2CC[NH+](CCC(C)(C)C#N)CC2)c1 ZINC000157406401 372020088 /nfs/dbraw/zinc/02/00/88/372020088.db2.gz NZMVSYLFORGSMN-UHFFFAOYSA-N 1 1 285.435 3.053 20 30 CGEDMO Cc1ccc(OCC[N@H+](C)CCC(C)(C)C#N)cc1 ZINC000157474068 372021851 /nfs/dbraw/zinc/02/18/51/372021851.db2.gz SLGUJLUPOSEBGX-UHFFFAOYSA-N 1 1 260.381 3.246 20 30 CGEDMO N#C[C@H]1CC[C@@H](Nc2cc[nH+]c3ccc(Cl)cc23)C1 ZINC000425270757 372118734 /nfs/dbraw/zinc/11/87/34/372118734.db2.gz GOPNRYAKSOGPKL-CMPLNLGQSA-N 1 1 271.751 3.414 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000424619497 372088196 /nfs/dbraw/zinc/08/81/96/372088196.db2.gz BNAZUPSOVSCZFI-OWCLPIDISA-N 1 1 292.467 3.453 20 30 CGEDMO C=CCCCCCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000291008643 372093046 /nfs/dbraw/zinc/09/30/46/372093046.db2.gz WPZUIOGGNYWZML-OAHLLOKOSA-N 1 1 289.423 3.007 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cccc2c1OCCCO2 ZINC000158988513 372096846 /nfs/dbraw/zinc/09/68/46/372096846.db2.gz MSHAIEVQJVMTGQ-UHFFFAOYSA-N 1 1 261.365 3.246 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425559611 372133914 /nfs/dbraw/zinc/13/39/14/372133914.db2.gz ZOBOFTVOIIKKEB-HNNXBMFYSA-N 1 1 276.424 3.207 20 30 CGEDMO CC[N@H+](CCc1nccs1)Cc1ccc(F)cc1C#N ZINC000159340721 372134537 /nfs/dbraw/zinc/13/45/37/372134537.db2.gz XFYMIWOHQWJWPR-UHFFFAOYSA-N 1 1 289.379 3.218 20 30 CGEDMO CC[N@@H+](CCc1nccs1)Cc1ccc(F)cc1C#N ZINC000159340721 372134543 /nfs/dbraw/zinc/13/45/43/372134543.db2.gz XFYMIWOHQWJWPR-UHFFFAOYSA-N 1 1 289.379 3.218 20 30 CGEDMO C[C@H]1CCC[C@H](C)N1CC[NH2+]Cc1ccc(C#N)cc1F ZINC000344228124 217109507 /nfs/dbraw/zinc/10/95/07/217109507.db2.gz WISJAJDJVAJFTI-KBPBESRZSA-N 1 1 289.398 3.050 20 30 CGEDMO C[C@@H](O)C[N@@H+](CC#Cc1ccc(F)cc1)C1CCCCC1 ZINC000159868099 372189367 /nfs/dbraw/zinc/18/93/67/372189367.db2.gz AJFYUYSVUKYVAX-OAHLLOKOSA-N 1 1 289.394 3.193 20 30 CGEDMO Cc1cccc([C@@H]2CCC[N@H+]2CCCSCC#N)n1 ZINC000160035010 372205295 /nfs/dbraw/zinc/20/52/95/372205295.db2.gz BDDDVWQINQVYKT-HNNXBMFYSA-N 1 1 275.421 3.174 20 30 CGEDMO C[C@H]1C[C@@H](Nc2ccc(C#N)nc2)C[N@H+]1Cc1ccccc1 ZINC000160947105 372290783 /nfs/dbraw/zinc/29/07/83/372290783.db2.gz CDJFPKIOTQYESY-KBXCAEBGSA-N 1 1 292.386 3.028 20 30 CGEDMO CC(C)[C@@]1(CO)CCC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000292906418 372243498 /nfs/dbraw/zinc/24/34/98/372243498.db2.gz ATWVOLQOQYHHCE-YJBOKZPZSA-N 1 1 286.419 3.350 20 30 CGEDMO CC[C@@H](C)C[N@@H+](CC)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000160528688 372255703 /nfs/dbraw/zinc/25/57/03/372255703.db2.gz JDLQGYHNDLKJGP-RHSMWYFYSA-N 1 1 299.418 3.032 20 30 CGEDMO C[C@]12CC[N@@H+](CCCC3(C#N)CCOCC3)C[C@H]1C2(F)F ZINC000428738068 372257968 /nfs/dbraw/zinc/25/79/68/372257968.db2.gz MXSGBPILLGJBRT-KGLIPLIRSA-N 1 1 298.377 3.064 20 30 CGEDMO CC1(C)C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)[C@H]2CCC[C@@H]21 ZINC000292990055 372270680 /nfs/dbraw/zinc/27/06/80/372270680.db2.gz ICRCETUMSVIOCB-ULQDDVLXSA-N 1 1 284.403 3.102 20 30 CGEDMO CC(C)C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1CC#N ZINC000429388177 372359986 /nfs/dbraw/zinc/35/99/86/372359986.db2.gz QVQQEDOJPSXEHS-IBGZPJMESA-N 1 1 299.462 3.175 20 30 CGEDMO C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)Cc2ccccc2O1 ZINC000429140554 372317343 /nfs/dbraw/zinc/31/73/43/372317343.db2.gz YIFFQXOYCQFCGW-OAHLLOKOSA-N 1 1 295.357 3.460 20 30 CGEDMO C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)Cc2ccccc2O1 ZINC000429140554 372317351 /nfs/dbraw/zinc/31/73/51/372317351.db2.gz YIFFQXOYCQFCGW-OAHLLOKOSA-N 1 1 295.357 3.460 20 30 CGEDMO Cc1cc(C)cc(OCCC[N@H+](C)[C@H](C)CC#N)c1 ZINC000161955083 372362460 /nfs/dbraw/zinc/36/24/60/372362460.db2.gz KHNSQPRYFWRKSQ-OAHLLOKOSA-N 1 1 260.381 3.306 20 30 CGEDMO C=C(C)CC[N@@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429238739 372326285 /nfs/dbraw/zinc/32/62/85/372326285.db2.gz FJQOAJQUGYRHHD-AWEZNQCLSA-N 1 1 262.372 3.302 20 30 CGEDMO Cc1cc(C)cc(OCCC[N@@H+](C)[C@H](C)CC#N)c1 ZINC000161955083 372362455 /nfs/dbraw/zinc/36/24/55/372362455.db2.gz KHNSQPRYFWRKSQ-OAHLLOKOSA-N 1 1 260.381 3.306 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC000429696008 372375962 /nfs/dbraw/zinc/37/59/62/372375962.db2.gz QRYZMCPULDHHFQ-BDXSIMOUSA-N 1 1 289.467 3.265 20 30 CGEDMO CCOc1ccc(C[N@@H+](C)[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000429724285 372377617 /nfs/dbraw/zinc/37/76/17/372377617.db2.gz WNFRDMJWWRQURN-HUUCEWRRSA-N 1 1 258.365 3.209 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1Cl)C[C@H]1CCCCO1 ZINC000162878498 372430693 /nfs/dbraw/zinc/43/06/93/372430693.db2.gz LFNLHKRWJCDPAF-CQSZACIVSA-N 1 1 278.783 3.213 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1Cl)C[C@H]1CCCCO1 ZINC000162878498 372430699 /nfs/dbraw/zinc/43/06/99/372430699.db2.gz LFNLHKRWJCDPAF-CQSZACIVSA-N 1 1 278.783 3.213 20 30 CGEDMO C=CCC[C@H]([NH2+]Cc1snnc1C)c1ccco1 ZINC000293720379 372461039 /nfs/dbraw/zinc/46/10/39/372461039.db2.gz PMLSGTXNVOXNSL-NSHDSACASA-N 1 1 263.366 3.237 20 30 CGEDMO N#CCCC[C@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1ccccc1 ZINC000433020301 372577937 /nfs/dbraw/zinc/57/79/37/372577937.db2.gz CBBHWKGHDQNEMP-HNNXBMFYSA-N 1 1 295.390 3.207 20 30 CGEDMO C=CCCC[C@@H](C)NC(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000433925809 372641123 /nfs/dbraw/zinc/64/11/23/372641123.db2.gz IHQSYVGGZRAFIL-GDBMZVCRSA-N 1 1 293.455 3.047 20 30 CGEDMO C=CCOc1ccc(C[NH2+][C@H]2C[C@H](C)n3ccnc32)cc1 ZINC000295198958 372698950 /nfs/dbraw/zinc/69/89/50/372698950.db2.gz JYFHRIWNDFRDLC-BBRMVZONSA-N 1 1 283.375 3.244 20 30 CGEDMO CC1(C)C[C@@H](O)CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000295203623 372700744 /nfs/dbraw/zinc/70/07/44/372700744.db2.gz CKDIGPOAVNDGKD-INIZCTEOSA-N 1 1 291.822 3.174 20 30 CGEDMO N#CC[C@@H]1CC[C@H](Nc2cc[nH+]cc2Br)C1 ZINC000294972563 372681861 /nfs/dbraw/zinc/68/18/61/372681861.db2.gz LBOUSWIJSNKTPY-UWVGGRQHSA-N 1 1 280.169 3.338 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@@](C)(COC)C2)c1 ZINC000295170199 372696359 /nfs/dbraw/zinc/69/63/59/372696359.db2.gz UDOBGWANUPGAAU-QGZVFWFLSA-N 1 1 275.392 3.110 20 30 CGEDMO C=CCC[C@@H](Nc1cc[nH+]c(N(C)C)n1)c1ccccc1 ZINC000434944645 372718459 /nfs/dbraw/zinc/71/84/59/372718459.db2.gz XPWCUVOBOLWWCB-OAHLLOKOSA-N 1 1 282.391 3.084 20 30 CGEDMO C=CCOc1ccc(C[NH2+][C@H](C)c2nccn2CC)cc1 ZINC000295309624 372733155 /nfs/dbraw/zinc/73/31/55/372733155.db2.gz VXRHFZOPBNFBNI-CQSZACIVSA-N 1 1 285.391 3.319 20 30 CGEDMO CCCC[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000434833133 372714416 /nfs/dbraw/zinc/71/44/16/372714416.db2.gz IJLHFHSUVDNDMR-UHFFFAOYSA-N 1 1 297.406 3.091 20 30 CGEDMO C=CCNC(=O)C[N@H+](CCCCC)Cc1ccc(F)cc1 ZINC000057622219 541880603 /nfs/dbraw/zinc/88/06/03/541880603.db2.gz QQYWSRNJWGFKLY-UHFFFAOYSA-N 1 1 292.398 3.120 20 30 CGEDMO C[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)Cc1ccc(C#N)cc1 ZINC000435135674 372735923 /nfs/dbraw/zinc/73/59/23/372735923.db2.gz SWWSUCWAYVADAZ-UHFFFAOYSA-N 1 1 292.342 3.173 20 30 CGEDMO CCC(=O)CCC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000295654257 372861798 /nfs/dbraw/zinc/86/17/98/372861798.db2.gz ZMOAJOMBPOPVCS-UHFFFAOYSA-N 1 1 270.376 3.282 20 30 CGEDMO CC1(C)[C@@H]2C[N@H+](CC#Cc3cccc(Cl)c3)C[C@@H]21 ZINC000438167913 372902007 /nfs/dbraw/zinc/90/20/07/372902007.db2.gz AKKYCEWBSMHEBN-GASCZTMLSA-N 1 1 259.780 3.279 20 30 CGEDMO C=CC[N@H+](CC1CC1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000438269133 372917803 /nfs/dbraw/zinc/91/78/03/372917803.db2.gz JYCZBGYPWRPQKC-KRWDZBQOSA-N 1 1 287.403 3.059 20 30 CGEDMO C=CC[N@@H+](CC1CC1)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000438269133 372917808 /nfs/dbraw/zinc/91/78/08/372917808.db2.gz JYCZBGYPWRPQKC-KRWDZBQOSA-N 1 1 287.403 3.059 20 30 CGEDMO C[C@@H]1Cc2[nH+]cn(Cc3ccc(C#N)cc3F)c2C[C@H]1C ZINC000295932159 372964073 /nfs/dbraw/zinc/96/40/73/372964073.db2.gz KIBQBTDPEZLCJO-VXGBXAGGSA-N 1 1 283.350 3.313 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCc2cc(OCCC)ccc2C1 ZINC000441086439 372998783 /nfs/dbraw/zinc/99/87/83/372998783.db2.gz NYIPDYIDMFEPGP-QGZVFWFLSA-N 1 1 289.419 3.161 20 30 CGEDMO N#CCC[N@@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC000440316989 372985143 /nfs/dbraw/zinc/98/51/43/372985143.db2.gz OFZWXBMRVXNGJN-QGZVFWFLSA-N 1 1 254.377 3.270 20 30 CGEDMO N#CCC[N@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC000440316989 372985146 /nfs/dbraw/zinc/98/51/46/372985146.db2.gz OFZWXBMRVXNGJN-QGZVFWFLSA-N 1 1 254.377 3.270 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)Nc1c(F)cccc1F ZINC000172543948 372986699 /nfs/dbraw/zinc/98/66/99/372986699.db2.gz NULLXPZUFQCSBD-LLVKDONJSA-N 1 1 282.334 3.190 20 30 CGEDMO N#Cc1ccc(CN2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC000172582458 372991045 /nfs/dbraw/zinc/99/10/45/372991045.db2.gz HRGGRDZIGTWQRQ-UHFFFAOYSA-N 1 1 283.419 3.009 20 30 CGEDMO Clc1ccccc1C#CC[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000441661729 373030732 /nfs/dbraw/zinc/03/07/32/373030732.db2.gz AOOQRJBYNVDSEX-JKSUJKDBSA-N 1 1 289.806 3.050 20 30 CGEDMO COc1ccc(C)[nH+]c1NCc1ccc(C#N)cc1F ZINC000344842073 217329484 /nfs/dbraw/zinc/32/94/84/217329484.db2.gz UDLLGUCGELIFEE-UHFFFAOYSA-N 1 1 271.295 3.022 20 30 CGEDMO COc1cc(C[N@H+]2CC[C@H](C)C[C@H](C)C2)ccc1C#N ZINC000442882578 373116242 /nfs/dbraw/zinc/11/62/42/373116242.db2.gz DXIDJFCUPXMBJL-KBPBESRZSA-N 1 1 272.392 3.435 20 30 CGEDMO Cc1cc(CNC[C@H]2CCC[N@@H+](C(C)C)C2)ccc1C#N ZINC000443978225 373164508 /nfs/dbraw/zinc/16/45/08/373164508.db2.gz KUNNFORNBDROFJ-QGZVFWFLSA-N 1 1 285.435 3.077 20 30 CGEDMO Cc1cc(CNC[C@H]2CCC[N@H+](C(C)C)C2)ccc1C#N ZINC000443978225 373164519 /nfs/dbraw/zinc/16/45/19/373164519.db2.gz KUNNFORNBDROFJ-QGZVFWFLSA-N 1 1 285.435 3.077 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+](CC)[C@H]1CCCC[C@H]1C ZINC000444670117 373226841 /nfs/dbraw/zinc/22/68/41/373226841.db2.gz FCKQHTXAAYGBKB-CVEARBPZSA-N 1 1 278.440 3.088 20 30 CGEDMO CCN(CC)[C@@H](C[NH2+]Cc1ccc(C#N)o1)c1ccccc1 ZINC000174238129 373272696 /nfs/dbraw/zinc/27/26/96/373272696.db2.gz MLLZHVLAKZIKER-SFHVURJKSA-N 1 1 297.402 3.324 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)[C@@H](C)[C@@H](C)O1 ZINC000444677258 373232897 /nfs/dbraw/zinc/23/28/97/373232897.db2.gz SLUWXKVBCUFJHP-HZSPNIEDSA-N 1 1 252.402 3.204 20 30 CGEDMO C[N@@H+](CCCCC(C)(C)C#N)CC[C@@H]1CCCO1 ZINC000444689971 373237395 /nfs/dbraw/zinc/23/73/95/373237395.db2.gz QEHBVDICEQUNDE-AWEZNQCLSA-N 1 1 252.402 3.207 20 30 CGEDMO C=CC[C@H]1[N@H+](C[C@H]2CCCOC2)CCCC1(C)C ZINC000444791527 373277979 /nfs/dbraw/zinc/27/79/79/373277979.db2.gz NJUKFZUSTGUUIV-HUUCEWRRSA-N 1 1 251.414 3.480 20 30 CGEDMO C=CCC[N@H+](C)Cc1c(Cl)cccc1N1CCOCC1 ZINC000296921441 373253147 /nfs/dbraw/zinc/25/31/47/373253147.db2.gz RWNAPJDMZNDUMQ-UHFFFAOYSA-N 1 1 294.826 3.185 20 30 CGEDMO COC[C@]1(C)CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000296970110 373254224 /nfs/dbraw/zinc/25/42/24/373254224.db2.gz YQRDCTVXITYAKI-MRXNPFEDSA-N 1 1 277.795 3.050 20 30 CGEDMO CC(C)[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000444753547 373260888 /nfs/dbraw/zinc/26/08/88/373260888.db2.gz OLERSBPSKHTAMN-ZBFHGGJFSA-N 1 1 299.418 3.253 20 30 CGEDMO CC(C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000444764813 373264269 /nfs/dbraw/zinc/26/42/69/373264269.db2.gz CHSBTRZAEHVDOA-MRXNPFEDSA-N 1 1 299.418 3.255 20 30 CGEDMO CC(C)([NH2+]Cc1ccc(C#N)o1)c1ccc([N+](=O)[O-])cc1 ZINC000175984691 373545898 /nfs/dbraw/zinc/54/58/98/373545898.db2.gz SJHLBCNKVRXPSH-UHFFFAOYSA-N 1 1 285.303 3.084 20 30 CGEDMO CC[C@H]1CCCC[N@H+]1CCNc1cccc(F)c1C#N ZINC000301249286 373711332 /nfs/dbraw/zinc/71/13/32/373711332.db2.gz IOLCVVOLRMHODI-ZDUSSCGKSA-N 1 1 275.371 3.374 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1cncc(F)c1 ZINC000177860207 373716583 /nfs/dbraw/zinc/71/65/83/373716583.db2.gz FWRQOQZGLDLCKE-JTQLQIEISA-N 1 1 273.286 3.082 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CCCC1 ZINC000449064317 373659399 /nfs/dbraw/zinc/65/93/99/373659399.db2.gz PKQIWFKQRJOHPF-AWEZNQCLSA-N 1 1 290.407 3.135 20 30 CGEDMO CC[C@@H]1CCCC[N@H+]1CCNc1snc(Cl)c1C#N ZINC000301292941 373732988 /nfs/dbraw/zinc/73/29/88/373732988.db2.gz UNGZHXTYMYQAMT-SNVBAGLBSA-N 1 1 298.843 3.345 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000449452376 373735604 /nfs/dbraw/zinc/73/56/04/373735604.db2.gz ULTDRSYMDXYVKR-AESZEHBQSA-N 1 1 258.409 3.460 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000449457220 373740199 /nfs/dbraw/zinc/74/01/99/373740199.db2.gz UGKPZCGKMPOSDA-OAGGEKHMSA-N 1 1 290.432 3.135 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)N[C@H](C)CCCC(C)C ZINC000302734342 373945967 /nfs/dbraw/zinc/94/59/67/373945967.db2.gz AYQDTDUTYVIRBU-OAHLLOKOSA-N 1 1 268.445 3.215 20 30 CGEDMO CC(C)(CCC#N)CN1CCC[N@H+](C2CCCC2)CC1 ZINC000179772762 373915595 /nfs/dbraw/zinc/91/55/95/373915595.db2.gz VVWGAQBVDLXCGD-UHFFFAOYSA-N 1 1 277.456 3.267 20 30 CGEDMO CC(C)(CCC#N)C[N@@H+]1CCCN(C2CCCC2)CC1 ZINC000179772762 373915598 /nfs/dbraw/zinc/91/55/98/373915598.db2.gz VVWGAQBVDLXCGD-UHFFFAOYSA-N 1 1 277.456 3.267 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCCN(C2CCCC2)CC1 ZINC000179772762 373915605 /nfs/dbraw/zinc/91/56/05/373915605.db2.gz VVWGAQBVDLXCGD-UHFFFAOYSA-N 1 1 277.456 3.267 20 30 CGEDMO CC(C)[C@H]1[N@H+](Cc2nc(C#N)cs2)CC12CCCC2 ZINC000449789370 373920957 /nfs/dbraw/zinc/92/09/57/373920957.db2.gz GUUYVANWFXOTDJ-CQSZACIVSA-N 1 1 275.421 3.415 20 30 CGEDMO CC(C)[C@H]1[N@@H+](Cc2nc(C#N)cs2)CC12CCCC2 ZINC000449789370 373920965 /nfs/dbraw/zinc/92/09/65/373920965.db2.gz GUUYVANWFXOTDJ-CQSZACIVSA-N 1 1 275.421 3.415 20 30 CGEDMO COc1ccc([C@@H](C)[N@H+](C)CC2(C#N)CCC2)cc1 ZINC000450212060 374000895 /nfs/dbraw/zinc/00/08/95/374000895.db2.gz BRNUAMIBEUBNTQ-CYBMUJFWSA-N 1 1 258.365 3.382 20 30 CGEDMO COc1ccc([C@@H](C)[N@@H+](C)CC2(C#N)CCC2)cc1 ZINC000450212060 374000905 /nfs/dbraw/zinc/00/09/05/374000905.db2.gz BRNUAMIBEUBNTQ-CYBMUJFWSA-N 1 1 258.365 3.382 20 30 CGEDMO C[C@@H](c1ccccc1)[C@@H](O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000450229035 374010204 /nfs/dbraw/zinc/01/02/04/374010204.db2.gz VYNXEVFYTNFMGZ-KXBFYZLASA-N 1 1 294.398 3.155 20 30 CGEDMO CCC[N@@H+](CCC(=O)Nc1sccc1C#N)CC1CC1 ZINC000302801662 373968923 /nfs/dbraw/zinc/96/89/23/373968923.db2.gz ATSNJAXXTNYGOX-UHFFFAOYSA-N 1 1 291.420 3.070 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@H](C[N@H+](C)CC)C2)CCCCC1 ZINC000449995323 373980050 /nfs/dbraw/zinc/98/00/50/373980050.db2.gz LPLXFZCFHDBDFD-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC1(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)CCCCC1 ZINC000449995301 373980320 /nfs/dbraw/zinc/98/03/20/373980320.db2.gz LIZRIBJUBUGSEZ-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCCNc1c(C#N)cccc1C#N ZINC000302862496 373987984 /nfs/dbraw/zinc/98/79/84/373987984.db2.gz WDDYJEVTTPOAHX-CQSZACIVSA-N 1 1 282.391 3.106 20 30 CGEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)CC1(C#N)CCC1 ZINC000450442252 374133914 /nfs/dbraw/zinc/13/39/14/374133914.db2.gz SEUAFPFRVDODAR-CQSZACIVSA-N 1 1 272.392 3.252 20 30 CGEDMO N#CC1(C[N@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)CCC1 ZINC000450623657 374165489 /nfs/dbraw/zinc/16/54/89/374165489.db2.gz NARPQDHWIHXWTF-HNNXBMFYSA-N 1 1 290.794 3.487 20 30 CGEDMO N#CC1(C[N@@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)CCC1 ZINC000450623657 374165491 /nfs/dbraw/zinc/16/54/91/374165491.db2.gz NARPQDHWIHXWTF-HNNXBMFYSA-N 1 1 290.794 3.487 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)C[C@H](O)[C@@H](C)c1ccccc1 ZINC000450691761 374172892 /nfs/dbraw/zinc/17/28/92/374172892.db2.gz ALXJSQDXVYIJBX-LPHOPBHVSA-N 1 1 299.414 3.475 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc2c(c1)OCO2 ZINC000182299835 374254308 /nfs/dbraw/zinc/25/43/08/374254308.db2.gz XHZBLFXMWBJLPV-NSHDSACASA-N 1 1 298.317 3.277 20 30 CGEDMO CC[N@@H+](Cc1ccc(OC)c(C#N)c1)CC(C)(C)C ZINC000311765297 374255882 /nfs/dbraw/zinc/25/58/82/374255882.db2.gz ABJGZUFLPAOHGA-UHFFFAOYSA-N 1 1 260.381 3.435 20 30 CGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000317334266 374340263 /nfs/dbraw/zinc/34/02/63/374340263.db2.gz AHGHHKPZUAFZDX-UKRRQHHQSA-N 1 1 299.418 3.253 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@H](C)C2CCC2)cc1C#N ZINC000325550005 374358844 /nfs/dbraw/zinc/35/88/44/374358844.db2.gz KMPYICHJCJBBGX-GFCCVEGCSA-N 1 1 258.365 3.187 20 30 CGEDMO C[C@@H](CNC(=O)c1coc(C2CCCC2)n1)[N@@H+](C)C1CC1 ZINC000328765366 374379947 /nfs/dbraw/zinc/37/99/47/374379947.db2.gz PDHDCNHONLTVRF-NSHDSACASA-N 1 1 291.395 3.120 20 30 CGEDMO CC[N@H+]1CCC[C@H](NC(=O)CCC(=O)NC2CCCC2)C1 ZINC000328771496 374380057 /nfs/dbraw/zinc/38/00/57/374380057.db2.gz JILPHZZOPTUXTQ-AWEZNQCLSA-N 1 1 295.427 3.107 20 30 CGEDMO CC[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000330502489 374474344 /nfs/dbraw/zinc/47/43/44/374474344.db2.gz WZPFFEHFLHAYMW-ZDUSSCGKSA-N 1 1 291.782 3.025 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000185283300 374629302 /nfs/dbraw/zinc/62/93/02/374629302.db2.gz GPVBWRCFJFONAN-HNNXBMFYSA-N 1 1 288.435 3.357 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H](CC(C)C)C1 ZINC000466735192 374969031 /nfs/dbraw/zinc/96/90/31/374969031.db2.gz ABHFIFKFTACGCX-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCOCCC[N@@H+]1CCN(c2ccccc2)C[C@@H]1CC ZINC000470761823 374999397 /nfs/dbraw/zinc/99/93/97/374999397.db2.gz LPYHZOLRMHKVBY-KRWDZBQOSA-N 1 1 288.435 3.180 20 30 CGEDMO C=C(C)C[N@@H+](CCOCC1CC1)Cc1ccccc1 ZINC000470921681 375001545 /nfs/dbraw/zinc/00/15/45/375001545.db2.gz ZVCGZPZAQMMZKZ-UHFFFAOYSA-N 1 1 259.393 3.491 20 30 CGEDMO C[N@H+](Cc1ccc(Cl)cc1C#N)C[C@H]1CCCC[C@@H]1O ZINC000187461834 375025541 /nfs/dbraw/zinc/02/55/41/375025541.db2.gz XJFZDTUYRCPYNA-CJNGLKHVSA-N 1 1 292.810 3.195 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000472582890 375026810 /nfs/dbraw/zinc/02/68/10/375026810.db2.gz RYYNBQZUFLYQRQ-GJZGRUSLSA-N 1 1 253.430 3.462 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@]1(C)Cc1ccccc1 ZINC000467235123 374972765 /nfs/dbraw/zinc/97/27/65/374972765.db2.gz IOGXKOSVUPKWJA-QZTJIDSGSA-N 1 1 273.420 3.411 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CCCc3occc3C2)c1 ZINC000334987366 375054339 /nfs/dbraw/zinc/05/43/39/375054339.db2.gz IXTWAVSQGCYKKU-UHFFFAOYSA-N 1 1 258.346 3.161 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCCc3occc3C2)c1 ZINC000334987366 375054346 /nfs/dbraw/zinc/05/43/46/375054346.db2.gz IXTWAVSQGCYKKU-UHFFFAOYSA-N 1 1 258.346 3.161 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000473626501 375055778 /nfs/dbraw/zinc/05/57/78/375055778.db2.gz OWNRHNLWHHOAQI-DAYGRLMNSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CC[N@H+](CCOC)C[C@@H](C)Cc1ccc(OC)c(F)c1 ZINC000483399056 375179990 /nfs/dbraw/zinc/17/99/90/375179990.db2.gz AOYZBHZNXHZECU-AWEZNQCLSA-N 1 1 295.398 3.147 20 30 CGEDMO CC#CCC[N@@H+]1CCc2cc(Br)ccc2C1 ZINC000483994027 375185498 /nfs/dbraw/zinc/18/54/98/375185498.db2.gz PFSHLSSJPXAUBO-UHFFFAOYSA-N 1 1 278.193 3.221 20 30 CGEDMO CC#CCC[N@H+]1CCc2cc(Br)ccc2C1 ZINC000483994027 375185501 /nfs/dbraw/zinc/18/55/01/375185501.db2.gz PFSHLSSJPXAUBO-UHFFFAOYSA-N 1 1 278.193 3.221 20 30 CGEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CC[C@H](C)O1 ZINC000188544098 375228889 /nfs/dbraw/zinc/22/88/89/375228889.db2.gz UJZWQDLFAXITBG-YOEHRIQHSA-N 1 1 272.392 3.336 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@H](c3cccnc3)C2)c1F ZINC000335419788 375278891 /nfs/dbraw/zinc/27/88/91/375278891.db2.gz YABDEBUBNQFIFZ-HNNXBMFYSA-N 1 1 281.334 3.082 20 30 CGEDMO Cc1cc(C[N@H+](C)CCN(C)c2ccccc2)ccc1C#N ZINC000487870749 375279449 /nfs/dbraw/zinc/27/94/49/375279449.db2.gz LPUMYAKUPIAXAY-UHFFFAOYSA-N 1 1 293.414 3.435 20 30 CGEDMO N#Cc1ccc(F)cc1C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000189235515 375345153 /nfs/dbraw/zinc/34/51/53/375345153.db2.gz IWPVHRULBNYODW-QGZVFWFLSA-N 1 1 288.366 3.088 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000335756626 375404982 /nfs/dbraw/zinc/40/49/82/375404982.db2.gz SRQZMNUNEWHMOK-QGZVFWFLSA-N 1 1 288.366 3.090 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000335756626 375404983 /nfs/dbraw/zinc/40/49/83/375404983.db2.gz SRQZMNUNEWHMOK-QGZVFWFLSA-N 1 1 288.366 3.090 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+](C)C/C(C)=C\c1ccccc1 ZINC000494242874 375486566 /nfs/dbraw/zinc/48/65/66/375486566.db2.gz WBQXQLXPDRUBND-VKAVYKQESA-N 1 1 298.430 3.222 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+](C)C/C(C)=C\c1ccccc1 ZINC000494242874 375486577 /nfs/dbraw/zinc/48/65/77/375486577.db2.gz WBQXQLXPDRUBND-VKAVYKQESA-N 1 1 298.430 3.222 20 30 CGEDMO C=CC[N@@H+](C)CC(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000494690876 375491693 /nfs/dbraw/zinc/49/16/93/375491693.db2.gz PYFWQNJQSFHEKD-HNNXBMFYSA-N 1 1 288.435 3.180 20 30 CGEDMO C=CC[N@H+](C)CC(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000494690876 375491698 /nfs/dbraw/zinc/49/16/98/375491698.db2.gz PYFWQNJQSFHEKD-HNNXBMFYSA-N 1 1 288.435 3.180 20 30 CGEDMO C#CCCC[N@H+](C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000495637315 375499092 /nfs/dbraw/zinc/49/90/92/375499092.db2.gz DQOSKOLHZHUSPS-AWEZNQCLSA-N 1 1 286.375 3.049 20 30 CGEDMO CC1(C)C[NH+](Cc2ccc(F)c(C#N)c2)CC(C)(C)O1 ZINC000190544473 375519045 /nfs/dbraw/zinc/51/90/45/375519045.db2.gz CSFXYFWWOXLEQB-UHFFFAOYSA-N 1 1 276.355 3.087 20 30 CGEDMO COc1ccccc1C[N@H+](Cc1cc(C#N)n(C)c1)C1CC1 ZINC000191224423 375598383 /nfs/dbraw/zinc/59/83/83/375598383.db2.gz QPPKVJFOSJUQJQ-UHFFFAOYSA-N 1 1 295.386 3.070 20 30 CGEDMO COc1ccccc1C[N@@H+](Cc1cc(C#N)n(C)c1)C1CC1 ZINC000191224423 375598390 /nfs/dbraw/zinc/59/83/90/375598390.db2.gz QPPKVJFOSJUQJQ-UHFFFAOYSA-N 1 1 295.386 3.070 20 30 CGEDMO CC(C)[C@@H]1CCC[N@@H+](Cc2cc(C#N)n(C)c2)CC1 ZINC000191368484 375618862 /nfs/dbraw/zinc/61/88/62/375618862.db2.gz FCOBJJBDGORMSA-OAHLLOKOSA-N 1 1 259.397 3.155 20 30 CGEDMO Cn1cc(C[N@@H+](C)C2CCC(C)(C)CC2)cc1C#N ZINC000191379564 375621328 /nfs/dbraw/zinc/62/13/28/375621328.db2.gz PNSUOEROUNZZOA-UHFFFAOYSA-N 1 1 259.397 3.297 20 30 CGEDMO CC[N@H+]1C[C@@H](C)N(CC#Cc2cccc(Cl)c2)C[C@@H]1C ZINC000498939482 375629285 /nfs/dbraw/zinc/62/92/85/375629285.db2.gz VPRAMVWAJSTOBV-LSDHHAIUSA-N 1 1 290.838 3.106 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2C[C@H](C)OC[C@H]2CC)c1 ZINC000505635610 375659506 /nfs/dbraw/zinc/65/95/06/375659506.db2.gz KLTFSOMYAFYOMP-GOEBONIOSA-N 1 1 275.392 3.251 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@@]2(C)Cc2ccccc2)cc1C#N ZINC000191501968 375635249 /nfs/dbraw/zinc/63/52/49/375635249.db2.gz WFEHOJGXJZVLIC-IBGZPJMESA-N 1 1 293.414 3.494 20 30 CGEDMO C=CC[N@H+](CCOCC(C)C)Cc1ccc(OC)cc1 ZINC000501162331 375639259 /nfs/dbraw/zinc/63/92/59/375639259.db2.gz IPCAKIDGRLNMNI-UHFFFAOYSA-N 1 1 277.408 3.356 20 30 CGEDMO CCc1nocc1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000507157390 375681376 /nfs/dbraw/zinc/68/13/76/375681376.db2.gz XEVNHYDMWNDSNH-UHFFFAOYSA-N 1 1 281.359 3.273 20 30 CGEDMO CCc1nocc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000507157390 375681384 /nfs/dbraw/zinc/68/13/84/375681384.db2.gz XEVNHYDMWNDSNH-UHFFFAOYSA-N 1 1 281.359 3.273 20 30 CGEDMO C[C@H](C[N@@H+](C)Cc1ccc(C#N)c(F)c1)c1nccs1 ZINC000192176065 375706182 /nfs/dbraw/zinc/70/61/82/375706182.db2.gz VNQFHZSOUJWUOX-LLVKDONJSA-N 1 1 289.379 3.389 20 30 CGEDMO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000192189641 375708475 /nfs/dbraw/zinc/70/84/75/375708475.db2.gz WPKUHOOUFYIEJM-SFHVURJKSA-N 1 1 299.414 3.092 20 30 CGEDMO CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192218070 375714320 /nfs/dbraw/zinc/71/43/20/375714320.db2.gz SFHKBZOGSQJCML-QGZVFWFLSA-N 1 1 290.382 3.070 20 30 CGEDMO CC[N@H+](Cc1ccccc1-c1ccnn1C)C[C@H](C)C#N ZINC000507582228 375715198 /nfs/dbraw/zinc/71/51/98/375715198.db2.gz LVJLUZAKSCBGLE-CQSZACIVSA-N 1 1 282.391 3.069 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](CC)Cc1cccs1 ZINC000192614515 375771831 /nfs/dbraw/zinc/77/18/31/375771831.db2.gz HEEQNDRWJHJFPL-AWEZNQCLSA-N 1 1 292.448 3.159 20 30 CGEDMO Cn1cc(C[N@H+]2CCCC[C@H]2c2ccco2)cc1C#N ZINC000336544404 375821225 /nfs/dbraw/zinc/82/12/25/375821225.db2.gz IBRKLIWBSMHNBH-HNNXBMFYSA-N 1 1 269.348 3.217 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000193339990 375863269 /nfs/dbraw/zinc/86/32/69/375863269.db2.gz LVJSVNYTFWBEAA-HNNXBMFYSA-N 1 1 288.439 3.150 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@](CO)(CCC)C1 ZINC000519478868 375840510 /nfs/dbraw/zinc/84/05/10/375840510.db2.gz ZCNTZJWJUKEUEE-GOSISDBHSA-N 1 1 289.419 3.236 20 30 CGEDMO CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccccc2C#N)c1 ZINC000193430613 375875142 /nfs/dbraw/zinc/87/51/42/375875142.db2.gz QSQWIRQPUDLEAV-ZDUSSCGKSA-N 1 1 293.370 3.367 20 30 CGEDMO CO[C@]1(C)CCC[N@@H+](Cc2cccc(C#N)c2F)CC1 ZINC000336634371 375893551 /nfs/dbraw/zinc/89/35/51/375893551.db2.gz GJZSGRSCTZEFLI-MRXNPFEDSA-N 1 1 276.355 3.088 20 30 CGEDMO C=C[C@H](C)[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000336657272 375896813 /nfs/dbraw/zinc/89/68/13/375896813.db2.gz POFBQCSPIBXUFM-ZOBUZTSGSA-N 1 1 258.409 3.061 20 30 CGEDMO C=CC[N@@H+](C)Cc1ccc(Br)c(F)c1F ZINC000528466051 375903885 /nfs/dbraw/zinc/90/38/85/375903885.db2.gz SEELHLKRXHIHDZ-UHFFFAOYSA-N 1 1 276.124 3.345 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(Br)c(F)c1F ZINC000528466051 375903889 /nfs/dbraw/zinc/90/38/89/375903889.db2.gz SEELHLKRXHIHDZ-UHFFFAOYSA-N 1 1 276.124 3.345 20 30 CGEDMO C=CCCCC[N@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000528590998 375906177 /nfs/dbraw/zinc/90/61/77/375906177.db2.gz ADWWQXUVDPJTJX-UHFFFAOYSA-N 1 1 273.424 3.489 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1ncc(Br)cc1F ZINC000529519811 375926814 /nfs/dbraw/zinc/92/68/14/375926814.db2.gz YIFXSNLADORPOA-UHFFFAOYSA-N 1 1 287.176 3.381 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ncc(Br)cc1F ZINC000529519811 375926823 /nfs/dbraw/zinc/92/68/23/375926823.db2.gz YIFXSNLADORPOA-UHFFFAOYSA-N 1 1 287.176 3.381 20 30 CGEDMO C[C@H](C#N)C[NH2+][C@H]1CCc2cc(F)c(Cl)cc21 ZINC000529540065 375928321 /nfs/dbraw/zinc/92/83/21/375928321.db2.gz DTAPSZJAJHRJSD-OQPBUACISA-N 1 1 252.720 3.216 20 30 CGEDMO Clc1cccc(C#CCn2cc[nH+]c2C2CC2)c1 ZINC000530129178 375940082 /nfs/dbraw/zinc/94/00/82/375940082.db2.gz GAKIJOWBSXNCOO-UHFFFAOYSA-N 1 1 256.736 3.466 20 30 CGEDMO CC[N@@H+](C[C@@H]1CCCOC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000336822944 375979807 /nfs/dbraw/zinc/97/98/07/375979807.db2.gz NNHJJGUKJBOSKT-HOCLYGCPSA-N 1 1 272.392 3.368 20 30 CGEDMO Cc1c(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cnn1C ZINC000336857190 376014239 /nfs/dbraw/zinc/01/42/39/376014239.db2.gz QUNNHKBOCWUZBP-ZWKOTPCHSA-N 1 1 294.402 3.000 20 30 CGEDMO Cc1c(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cnn1C ZINC000336857190 376014254 /nfs/dbraw/zinc/01/42/54/376014254.db2.gz QUNNHKBOCWUZBP-ZWKOTPCHSA-N 1 1 294.402 3.000 20 30 CGEDMO CC[C@@H](C)C[N@@H+](CC)Cc1cccc(C(=O)OC)c1C#N ZINC000535207731 376030664 /nfs/dbraw/zinc/03/06/64/376030664.db2.gz SWGNVSJASZBIJY-CYBMUJFWSA-N 1 1 288.391 3.213 20 30 CGEDMO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337182066 376120364 /nfs/dbraw/zinc/12/03/64/376120364.db2.gz BEGSBDPZUVROMW-OWCLPIDISA-N 1 1 278.440 3.453 20 30 CGEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)c2cccc(Cl)c2)C1=O ZINC000337125699 376087942 /nfs/dbraw/zinc/08/79/42/376087942.db2.gz FFNZYOXPBIRCNM-IUODEOHRSA-N 1 1 292.810 3.120 20 30 CGEDMO C=CCN1CC[C@H]([N@H+](Cc2ccccc2)CC2CCC2)C1=O ZINC000337140956 376097021 /nfs/dbraw/zinc/09/70/21/376097021.db2.gz RPEQRCBZALEPCO-SFHVURJKSA-N 1 1 298.430 3.076 20 30 CGEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2CCC(C)C)C1=O ZINC000337176080 376114668 /nfs/dbraw/zinc/11/46/68/376114668.db2.gz IMKZWLLYFLHJTL-JKSUJKDBSA-N 1 1 278.440 3.064 20 30 CGEDMO C[N@@H+](Cc1ccc2[nH]cnc2c1)Cc1cccc(C#N)c1 ZINC000535785400 376060719 /nfs/dbraw/zinc/06/07/19/376060719.db2.gz KFWHKXLDSVUELA-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO C[N@H+](Cc1ccc2nc[nH]c2c1)Cc1cccc(C#N)c1 ZINC000535785400 376060729 /nfs/dbraw/zinc/06/07/29/376060729.db2.gz KFWHKXLDSVUELA-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO C[N@@H+](Cc1ccc2nc[nH]c2c1)Cc1cccc(C#N)c1 ZINC000535785400 376060738 /nfs/dbraw/zinc/06/07/38/376060738.db2.gz KFWHKXLDSVUELA-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO C=CC[N@H+](C[C@H](O)COc1cccc2ccccc21)C1CC1 ZINC000536743198 376128256 /nfs/dbraw/zinc/12/82/56/376128256.db2.gz RJNGNMZTIXEYSE-KRWDZBQOSA-N 1 1 297.398 3.230 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cc2c(cc1OC)C[C@H](C)O2 ZINC000537636092 376186689 /nfs/dbraw/zinc/18/66/89/376186689.db2.gz KRQROMXJZJINGQ-ZDUSSCGKSA-N 1 1 275.392 3.417 20 30 CGEDMO C=CCNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000338019647 376255582 /nfs/dbraw/zinc/25/55/82/376255582.db2.gz UEHLWPXVFCHOBS-UHFFFAOYSA-N 1 1 294.398 3.234 20 30 CGEDMO C[N@H+](Cc1cccs1)Cc1cccc(C#N)c1F ZINC000223518383 376255678 /nfs/dbraw/zinc/25/56/78/376255678.db2.gz ZMNIXYNUZSEBSJ-UHFFFAOYSA-N 1 1 260.337 3.391 20 30 CGEDMO C[N@@H+](Cc1cccs1)Cc1cccc(C#N)c1F ZINC000223518383 376255682 /nfs/dbraw/zinc/25/56/82/376255682.db2.gz ZMNIXYNUZSEBSJ-UHFFFAOYSA-N 1 1 260.337 3.391 20 30 CGEDMO C=CCc1cc(C[N@H+]2C[C@@H](C)C[C@@H]2C)cc(OC)c1O ZINC000539837889 376339983 /nfs/dbraw/zinc/33/99/83/376339983.db2.gz BHXONIXLPVXZCZ-STQMWFEESA-N 1 1 275.392 3.360 20 30 CGEDMO C=C(CC)C[N@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000540194035 376364838 /nfs/dbraw/zinc/36/48/38/376364838.db2.gz VSCHADXLCRJOMY-UHFFFAOYSA-N 1 1 266.772 3.177 20 30 CGEDMO C=C(CC)C[N@@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000540194035 376364841 /nfs/dbraw/zinc/36/48/41/376364841.db2.gz VSCHADXLCRJOMY-UHFFFAOYSA-N 1 1 266.772 3.177 20 30 CGEDMO CC[C@@H]1CO[C@H](C)C[N@H+]1CCCCC(C)(C)C#N ZINC000233910627 376608112 /nfs/dbraw/zinc/60/81/12/376608112.db2.gz MTPQIBIJZWNBHG-ZIAGYGMSSA-N 1 1 252.402 3.206 20 30 CGEDMO CC[N@@H+](C[C@@H](C)C#N)C[C@H]1CCc2ccccc2C1 ZINC000542917120 376592829 /nfs/dbraw/zinc/59/28/29/376592829.db2.gz UUUPFKQMLKASDW-GJZGRUSLSA-N 1 1 256.393 3.273 20 30 CGEDMO C=C1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000264517340 190115165 /nfs/dbraw/zinc/11/51/65/190115165.db2.gz UKMCCMCOJFGUIM-SFHVURJKSA-N 1 1 298.430 3.077 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000544186639 376714363 /nfs/dbraw/zinc/71/43/63/376714363.db2.gz BAGOQYXDZABHNN-DLBZAZTESA-N 1 1 259.393 3.111 20 30 CGEDMO C[C@@H]1C[C@H](C(C)(C)C)CC[N@H+]1CCOCCC#N ZINC000339206108 376734333 /nfs/dbraw/zinc/73/43/33/376734333.db2.gz OXZZAAONOXPYOA-ZIAGYGMSSA-N 1 1 252.402 3.063 20 30 CGEDMO CC[N@@H+](Cc1ccno1)[C@@H](C)c1ccc(C#N)cc1 ZINC000264639805 190124615 /nfs/dbraw/zinc/12/46/15/190124615.db2.gz USOHUAYNEFARFB-LBPRGKRZSA-N 1 1 255.321 3.129 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000339672044 376799397 /nfs/dbraw/zinc/79/93/97/376799397.db2.gz CXUXUSLHWIQKBL-ZDUSSCGKSA-N 1 1 258.340 3.319 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000339684572 376808897 /nfs/dbraw/zinc/80/88/97/376808897.db2.gz TYHROSASMKBHLR-ZDUSSCGKSA-N 1 1 258.340 3.319 20 30 CGEDMO CC[C@H](C)C[N@@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000245537099 376845197 /nfs/dbraw/zinc/84/51/97/376845197.db2.gz XYAZHMONWDIYGW-YOEHRIQHSA-N 1 1 299.418 3.032 20 30 CGEDMO C=CCCC[C@@H](C)NC(=O)N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000245650571 376873747 /nfs/dbraw/zinc/87/37/47/376873747.db2.gz HHGBZKDHKIQENV-CVEARBPZSA-N 1 1 295.471 3.105 20 30 CGEDMO C=CCC[C@@H](NCC[N@H+]1CC[C@H](C)C1)c1ccco1 ZINC000556874041 376895677 /nfs/dbraw/zinc/89/56/77/376895677.db2.gz ZOQRGLJFJAQHGR-LSDHHAIUSA-N 1 1 262.397 3.218 20 30 CGEDMO C=CCC[C@@H](NCC[N@@H+]1CC[C@H](C)C1)c1ccco1 ZINC000556874041 376895684 /nfs/dbraw/zinc/89/56/84/376895684.db2.gz ZOQRGLJFJAQHGR-LSDHHAIUSA-N 1 1 262.397 3.218 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@H](C)C[C@@H](C)C2)cc1C#N ZINC000340174287 376936147 /nfs/dbraw/zinc/93/61/47/376936147.db2.gz PVXVZKGTRQJMQL-UONOGXRCSA-N 1 1 272.392 3.435 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000246014813 376952543 /nfs/dbraw/zinc/95/25/43/376952543.db2.gz LYTVYVNFSYQASQ-WMZOPIPTSA-N 1 1 271.404 3.465 20 30 CGEDMO CC[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(F)cc1F ZINC000562039363 377269230 /nfs/dbraw/zinc/26/92/30/377269230.db2.gz GQMMBQPICZWILD-MRXNPFEDSA-N 1 1 287.313 3.472 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]2C2CCC2)c1F ZINC000340942019 377329193 /nfs/dbraw/zinc/32/91/93/377329193.db2.gz QKJAHCNDLCDZAD-OAHLLOKOSA-N 1 1 258.340 3.462 20 30 CGEDMO COc1ccccc1[C@H](C)[NH2+]Cc1ccc(C#N)cc1OC ZINC000341069825 377384482 /nfs/dbraw/zinc/38/44/82/377384482.db2.gz PJGVHUHKUCGRAG-ZDUSSCGKSA-N 1 1 296.370 3.426 20 30 CGEDMO C[N@H+](CCN1CCC(CCC#N)CC1)Cc1ccccc1 ZINC000563068204 377397103 /nfs/dbraw/zinc/39/71/03/377397103.db2.gz LKIWBFXPQBFQJH-UHFFFAOYSA-N 1 1 285.435 3.134 20 30 CGEDMO C[N@@H+](CCN1CCC(CCC#N)CC1)Cc1ccccc1 ZINC000563068204 377397110 /nfs/dbraw/zinc/39/71/10/377397110.db2.gz LKIWBFXPQBFQJH-UHFFFAOYSA-N 1 1 285.435 3.134 20 30 CGEDMO CCCC[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000563217155 377423463 /nfs/dbraw/zinc/42/34/63/377423463.db2.gz MCGZQQSJLHTDTA-LBPRGKRZSA-N 1 1 275.352 3.477 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCSC[C@H](C)C1 ZINC000248968501 377437144 /nfs/dbraw/zinc/43/71/44/377437144.db2.gz CVDXBYRTSQVVBY-CHWSQXEVSA-N 1 1 260.406 3.304 20 30 CGEDMO O[C@H](C[C@@H]1CCC[N@H+]1CC#Cc1ccccc1)c1ccco1 ZINC000248878585 377419064 /nfs/dbraw/zinc/41/90/64/377419064.db2.gz OQWUNSBIRKRCEQ-ZWKOTPCHSA-N 1 1 295.382 3.219 20 30 CGEDMO C[C@@H](c1ccncc1)[N@H+](C)Cc1cccc(C#N)c1F ZINC000341149209 377419296 /nfs/dbraw/zinc/41/92/96/377419296.db2.gz UXVUHVDFIYSWQJ-LBPRGKRZSA-N 1 1 269.323 3.285 20 30 CGEDMO C[C@@H](c1ccncc1)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000341149209 377419306 /nfs/dbraw/zinc/41/93/06/377419306.db2.gz UXVUHVDFIYSWQJ-LBPRGKRZSA-N 1 1 269.323 3.285 20 30 CGEDMO OC1([C@@H]2CCCC[N@@H+]2CC#Cc2ccccc2Cl)CC1 ZINC000566900596 377502552 /nfs/dbraw/zinc/50/25/52/377502552.db2.gz YWBYZRRIEFEYHO-INIZCTEOSA-N 1 1 289.806 3.071 20 30 CGEDMO OC1([C@@H]2CCCC[N@H+]2CC#Cc2ccccc2Cl)CC1 ZINC000566900596 377502559 /nfs/dbraw/zinc/50/25/59/377502559.db2.gz YWBYZRRIEFEYHO-INIZCTEOSA-N 1 1 289.806 3.071 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000249433175 377503823 /nfs/dbraw/zinc/50/38/23/377503823.db2.gz HTARFPVRFNWYLY-XJKSGUPXSA-N 1 1 280.375 3.222 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000249433175 377503828 /nfs/dbraw/zinc/50/38/28/377503828.db2.gz HTARFPVRFNWYLY-XJKSGUPXSA-N 1 1 280.375 3.222 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000249433175 377503837 /nfs/dbraw/zinc/50/38/37/377503837.db2.gz HTARFPVRFNWYLY-XJKSGUPXSA-N 1 1 280.375 3.222 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1nc(C)c2ccccc2n1 ZINC000566538489 377498603 /nfs/dbraw/zinc/49/86/03/377498603.db2.gz MDFWXTBSTVOFNC-AWEZNQCLSA-N 1 1 267.376 3.479 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nc(C)c2ccccc2n1 ZINC000566538489 377498611 /nfs/dbraw/zinc/49/86/11/377498611.db2.gz MDFWXTBSTVOFNC-AWEZNQCLSA-N 1 1 267.376 3.479 20 30 CGEDMO C[C@@H]1CC[C@@H](C)[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000088704583 249027611 /nfs/dbraw/zinc/02/76/11/249027611.db2.gz BPVMNDVGRNXWPE-HUUCEWRRSA-N 1 1 272.392 3.448 20 30 CGEDMO C=CCC[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC000569116457 377527152 /nfs/dbraw/zinc/52/71/52/377527152.db2.gz JKSRDZKHJPYNJN-WBVHZDCISA-N 1 1 286.419 3.152 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000570015911 377532350 /nfs/dbraw/zinc/53/23/50/377532350.db2.gz CWLQYPCYPRAGSW-MRXNPFEDSA-N 1 1 250.430 3.006 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H](CNc2ncc(C#N)cc2Cl)C1 ZINC000265128944 190159925 /nfs/dbraw/zinc/15/99/25/190159925.db2.gz MKKAGKUMYDCCED-GFCCVEGCSA-N 1 1 292.814 3.139 20 30 CGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](C)CC1 ZINC000249814320 377533850 /nfs/dbraw/zinc/53/38/50/377533850.db2.gz ABLJHPBSGJJVHH-UONOGXRCSA-N 1 1 285.391 3.007 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1C1CC1 ZINC000421357353 249126295 /nfs/dbraw/zinc/12/62/95/249126295.db2.gz NPWXCUXNUFJWJB-OAHLLOKOSA-N 1 1 258.340 3.318 20 30 CGEDMO N#Cc1cccc(OCCC[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000314925613 249098396 /nfs/dbraw/zinc/09/83/96/249098396.db2.gz MZTPHDKDXWHWDT-CALCHBBNSA-N 1 1 284.403 3.449 20 30 CGEDMO Cc1cc(CNCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1C#N ZINC000443984858 249137655 /nfs/dbraw/zinc/13/76/55/249137655.db2.gz UDCNPLMLPHIAOU-IYBDPMFKSA-N 1 1 299.462 3.324 20 30 CGEDMO CCCN1CCC([NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000341762810 377615510 /nfs/dbraw/zinc/61/55/10/377615510.db2.gz UWZIPKWLYCQVPO-LJQANCHMSA-N 1 1 297.446 3.400 20 30 CGEDMO CCC[NH+]1CCC(N[C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000341762810 377615523 /nfs/dbraw/zinc/61/55/23/377615523.db2.gz UWZIPKWLYCQVPO-LJQANCHMSA-N 1 1 297.446 3.400 20 30 CGEDMO Cc1cc([C@@H](C)[NH2+]C[C@@H](C#N)CCC#N)ccc1F ZINC000342338484 377640315 /nfs/dbraw/zinc/64/03/15/377640315.db2.gz NSNGGMUUPFJJEU-CHWSQXEVSA-N 1 1 259.328 3.228 20 30 CGEDMO CC(C)OCCC[N@@H+](C)Cc1cn2ccccc2c1C#N ZINC000265845815 190212141 /nfs/dbraw/zinc/21/21/41/190212141.db2.gz HEMYHGGKZIRNMV-UHFFFAOYSA-N 1 1 285.391 3.058 20 30 CGEDMO Cc1[nH+]ccn1CCCSc1ccccc1C#N ZINC000342709932 377749244 /nfs/dbraw/zinc/74/92/44/377749244.db2.gz OORMBEKWCXSNGX-UHFFFAOYSA-N 1 1 257.362 3.246 20 30 CGEDMO C[N@@H+](Cc1ccc(CC#N)cc1)C1Cc2ccccc2C1 ZINC000342720253 377753437 /nfs/dbraw/zinc/75/34/37/377753437.db2.gz GFADIJKJBOTZCU-UHFFFAOYSA-N 1 1 276.383 3.352 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000342729415 377760835 /nfs/dbraw/zinc/76/08/35/377760835.db2.gz DYSNZGDVRLHKRL-INIZCTEOSA-N 1 1 288.435 3.320 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000342740224 377766566 /nfs/dbraw/zinc/76/65/66/377766566.db2.gz RCCMYFJZAUBGDT-AWEZNQCLSA-N 1 1 260.381 3.138 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)N[C@H](CC(C)C)c1ccccc1 ZINC000342740261 377766797 /nfs/dbraw/zinc/76/67/97/377766797.db2.gz RMBNJSYKRKHNIH-QGZVFWFLSA-N 1 1 288.435 3.398 20 30 CGEDMO N#Cc1ccc(C[NH+]2CCC(CC(F)(F)F)CC2)o1 ZINC000342839350 377828061 /nfs/dbraw/zinc/82/80/61/377828061.db2.gz QMLXZZVNYCDUCQ-UHFFFAOYSA-N 1 1 272.270 3.316 20 30 CGEDMO Cc1ccc(C#N)c(NC[C@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC000343063016 377892364 /nfs/dbraw/zinc/89/23/64/377892364.db2.gz GQNRDXSGQLEBTK-QGZVFWFLSA-N 1 1 298.434 3.471 20 30 CGEDMO COc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)ccn1 ZINC000342863677 377846559 /nfs/dbraw/zinc/84/65/59/377846559.db2.gz IMIIWTUOMIGVEC-UHFFFAOYSA-N 1 1 295.386 3.372 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cn(C)nc1C1CCCCC1 ZINC000183165071 542228952 /nfs/dbraw/zinc/22/89/52/542228952.db2.gz AWUUWAVCOLUPNU-UHFFFAOYSA-N 1 1 261.413 3.476 20 30 CGEDMO C[N@@H+](Cc1ccc(CC#N)cc1)[C@H](CCO)c1ccccc1 ZINC000343556965 378017347 /nfs/dbraw/zinc/01/73/47/378017347.db2.gz RMZURQQHCMFMCG-LJQANCHMSA-N 1 1 294.398 3.308 20 30 CGEDMO C[N@@H+](Cc1ccccc1)C1CN(c2ccc(C#N)cc2F)C1 ZINC000343625630 378045438 /nfs/dbraw/zinc/04/54/38/378045438.db2.gz KSNSFRLCEAWNKO-UHFFFAOYSA-N 1 1 295.361 3.018 20 30 CGEDMO C=C(C)C[N@H+](C)CCCCOc1c(OC)cccc1OC ZINC000343680927 378064648 /nfs/dbraw/zinc/06/46/48/378064648.db2.gz AYEMIHUDSPFYIK-UHFFFAOYSA-N 1 1 293.407 3.371 20 30 CGEDMO CCOc1ccccc1[C@H](CC)[NH2+]CC1(C#N)CC1 ZINC000343571569 378024983 /nfs/dbraw/zinc/02/49/83/378024983.db2.gz BKIQNZJRRKAYTB-AWEZNQCLSA-N 1 1 258.365 3.430 20 30 CGEDMO CC(C)[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000343941647 378138266 /nfs/dbraw/zinc/13/82/66/378138266.db2.gz WBVLLTOADIZHPG-QGZVFWFLSA-N 1 1 299.418 3.397 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000583912956 378357702 /nfs/dbraw/zinc/35/77/02/378357702.db2.gz QFMXUXSHQFRLKM-GOSISDBHSA-N 1 1 291.410 3.409 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595504620 378401418 /nfs/dbraw/zinc/40/14/18/378401418.db2.gz KQUOEPOKEPHGJX-QAPCUYQASA-N 1 1 283.419 3.037 20 30 CGEDMO CC[N@@H+](CCCOc1cccc(C#N)c1)Cc1ccncc1 ZINC000270984456 378421695 /nfs/dbraw/zinc/42/16/95/378421695.db2.gz GRQICIHXJFNJSF-UHFFFAOYSA-N 1 1 295.386 3.244 20 30 CGEDMO C#CCCC[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000270998664 378425461 /nfs/dbraw/zinc/42/54/61/378425461.db2.gz FSCHYNCGNYMNAE-HNNXBMFYSA-N 1 1 263.768 3.127 20 30 CGEDMO CC[C@H]1CC[C@@H](C)[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000271455346 378493307 /nfs/dbraw/zinc/49/33/07/378493307.db2.gz DJDKCDIGHYRSDV-CVEARBPZSA-N 1 1 299.418 3.196 20 30 CGEDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000346386179 378563883 /nfs/dbraw/zinc/56/38/83/378563883.db2.gz JOABAIKFLLHRHZ-CQSZACIVSA-N 1 1 282.391 3.074 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000346943638 378697983 /nfs/dbraw/zinc/69/79/83/378697983.db2.gz LLARFYYLFGQCSP-HNNXBMFYSA-N 1 1 282.391 3.223 20 30 CGEDMO C=CC[N@H+](CCC[C@@H]1CCO1)Cc1ccc(OC)cc1 ZINC000637959605 378647117 /nfs/dbraw/zinc/64/71/17/378647117.db2.gz HQLUUWQTTROUAL-QGZVFWFLSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CCOCCC[N@H+]1CCc2sccc2[C@H]1C ZINC000347965829 378742268 /nfs/dbraw/zinc/74/22/68/378742268.db2.gz FHEAAPDXEOEROF-GFCCVEGCSA-N 1 1 251.395 3.260 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1C(C)C ZINC000347272819 378711049 /nfs/dbraw/zinc/71/10/49/378711049.db2.gz YHNQEFZXAZJTTN-HNNXBMFYSA-N 1 1 258.365 3.187 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1ccn(C(F)F)n1 ZINC000347726024 378725031 /nfs/dbraw/zinc/72/50/31/378725031.db2.gz RJZUUWHYNGHPMM-UHFFFAOYSA-N 1 1 257.328 3.456 20 30 CGEDMO C#CC[N@H+](CCCC(=O)Nc1c(C)cccc1C)C1CC1 ZINC000274247721 378797776 /nfs/dbraw/zinc/79/77/76/378797776.db2.gz YZKCFZIFXLPZAK-UHFFFAOYSA-N 1 1 284.403 3.120 20 30 CGEDMO C=CCOCCC[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000348191880 378832970 /nfs/dbraw/zinc/83/29/70/378832970.db2.gz FYJQTHIRHZSBNM-UHFFFAOYSA-N 1 1 265.784 3.291 20 30 CGEDMO C[N@@H+](CCSc1cc(C#N)ccn1)Cc1ccccc1 ZINC000278518746 194023285 /nfs/dbraw/zinc/02/32/85/194023285.db2.gz GFVXPPKZZYZNEB-UHFFFAOYSA-N 1 1 283.400 3.177 20 30 CGEDMO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NCC1(C#N)CC1 ZINC000348300488 378893490 /nfs/dbraw/zinc/89/34/90/378893490.db2.gz BBZIEVSWRNFSFY-KRWDZBQOSA-N 1 1 285.435 3.036 20 30 CGEDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NCC1(C#N)CC1 ZINC000348300488 378893498 /nfs/dbraw/zinc/89/34/98/378893498.db2.gz BBZIEVSWRNFSFY-KRWDZBQOSA-N 1 1 285.435 3.036 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000274814575 378900422 /nfs/dbraw/zinc/90/04/22/378900422.db2.gz IRLMDACLMSXREF-CQSZACIVSA-N 1 1 262.401 3.005 20 30 CGEDMO Cn1cc(C[N@@H+](CCc2ccc(F)cc2)C2CC2)cc1C#N ZINC000276782072 378996387 /nfs/dbraw/zinc/99/63/87/378996387.db2.gz QWIHIIMTPRBYIU-UHFFFAOYSA-N 1 1 297.377 3.243 20 30 CGEDMO CC[C@H](NCC[N@H+](CC)C1CC1)c1ccc(C#N)cc1 ZINC000278717463 194119857 /nfs/dbraw/zinc/11/98/57/194119857.db2.gz LZWJSSUTPZVNAO-KRWDZBQOSA-N 1 1 271.408 3.083 20 30 CGEDMO CC[C@H](NCC[N@@H+](CC)C1CC1)c1ccc(C#N)cc1 ZINC000278717463 194119860 /nfs/dbraw/zinc/11/98/60/194119860.db2.gz LZWJSSUTPZVNAO-KRWDZBQOSA-N 1 1 271.408 3.083 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)CC1CCSCC1 ZINC000639163377 379081893 /nfs/dbraw/zinc/08/18/93/379081893.db2.gz XKXNHULFGQIHBH-UHFFFAOYSA-N 1 1 295.448 3.293 20 30 CGEDMO CSCC[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000371785440 379176475 /nfs/dbraw/zinc/17/64/75/379176475.db2.gz NJRUUPPSIRAJBR-HUUCEWRRSA-N 1 1 260.406 3.121 20 30 CGEDMO C#Cc1ccc(C[NH2+][C@@H](C)c2ncc(C)s2)cc1 ZINC000278839019 194178368 /nfs/dbraw/zinc/17/83/68/194178368.db2.gz DCDPRMTVKUNNCW-LBPRGKRZSA-N 1 1 256.374 3.284 20 30 CGEDMO C=CC[C@H]1[N@H+](Cc2cn3cccnc3n2)CCCC1(C)C ZINC000277749225 379226953 /nfs/dbraw/zinc/22/69/53/379226953.db2.gz LLPOOOOEZJXDCJ-OAHLLOKOSA-N 1 1 284.407 3.296 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]1c1nc(C(=O)OC)c(C)s1 ZINC000373509652 379290185 /nfs/dbraw/zinc/29/01/85/379290185.db2.gz PTMDMTDNYWNDHQ-LBPRGKRZSA-N 1 1 294.420 3.341 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000373306447 379259096 /nfs/dbraw/zinc/25/90/96/379259096.db2.gz SCMNBTFXCOMCLE-HNNXBMFYSA-N 1 1 259.397 3.402 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@@H]1C ZINC000347580236 218279160 /nfs/dbraw/zinc/27/91/60/218279160.db2.gz KPGCCEAFVNELKO-OLZOCXBDSA-N 1 1 296.374 3.086 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccccc2OCCCCO)C1 ZINC000639346920 379303987 /nfs/dbraw/zinc/30/39/87/379303987.db2.gz FYMBYHRTLQASST-MRXNPFEDSA-N 1 1 289.419 3.236 20 30 CGEDMO C=CCC[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000266602815 190270647 /nfs/dbraw/zinc/27/06/47/190270647.db2.gz XMEHOINKYOTGSJ-QGZVFWFLSA-N 1 1 258.409 3.016 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000266602815 190270648 /nfs/dbraw/zinc/27/06/48/190270648.db2.gz XMEHOINKYOTGSJ-QGZVFWFLSA-N 1 1 258.409 3.016 20 30 CGEDMO CC[C@@H]([NH2+]C1CCN(C(C)C)CC1)c1ccc(C#N)cc1 ZINC000278391811 379370538 /nfs/dbraw/zinc/37/05/38/379370538.db2.gz DVBSBGKOOLRHKY-GOSISDBHSA-N 1 1 285.435 3.472 20 30 CGEDMO CC[C@@H](NC1CC[NH+](C(C)C)CC1)c1ccc(C#N)cc1 ZINC000278391811 379370546 /nfs/dbraw/zinc/37/05/46/379370546.db2.gz DVBSBGKOOLRHKY-GOSISDBHSA-N 1 1 285.435 3.472 20 30 CGEDMO Cc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)nc1 ZINC000349912227 379444829 /nfs/dbraw/zinc/44/48/29/379444829.db2.gz JKYJTZXFNWUSBN-UHFFFAOYSA-N 1 1 277.371 3.426 20 30 CGEDMO COc1ccc2c(c1)CC[N@H+](CC(C)(C)CCC#N)CC2 ZINC000375536115 379501425 /nfs/dbraw/zinc/50/14/25/379501425.db2.gz ZDMARICKKSMGOO-UHFFFAOYSA-N 1 1 286.419 3.426 20 30 CGEDMO C=CC[N@@H+](Cc1nc2ccc(Cl)cc2n1C)C1CC1 ZINC000350273115 379532821 /nfs/dbraw/zinc/53/28/21/379532821.db2.gz ZHMFOCPYODZECC-UHFFFAOYSA-N 1 1 275.783 3.377 20 30 CGEDMO C=CC[N@H+](Cc1nc2ccc(Cl)cc2n1C)C1CC1 ZINC000350273115 379532829 /nfs/dbraw/zinc/53/28/29/379532829.db2.gz ZHMFOCPYODZECC-UHFFFAOYSA-N 1 1 275.783 3.377 20 30 CGEDMO C=CC[N@@H+](Cc1cnn(CC(F)F)c1)Cc1cccs1 ZINC000350302704 379536062 /nfs/dbraw/zinc/53/60/62/379536062.db2.gz TZMIVXRGNUUVLN-UHFFFAOYSA-N 1 1 297.374 3.398 20 30 CGEDMO C=CC[N@H+](Cc1cnn(CC(F)F)c1)Cc1cccs1 ZINC000350302704 379536071 /nfs/dbraw/zinc/53/60/71/379536071.db2.gz TZMIVXRGNUUVLN-UHFFFAOYSA-N 1 1 297.374 3.398 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000639796031 379589079 /nfs/dbraw/zinc/58/90/79/379589079.db2.gz FCHBZVXLJBFBHJ-UHFFFAOYSA-N 1 1 259.397 3.256 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1cnc(C)nc1 ZINC000351844482 379745617 /nfs/dbraw/zinc/74/56/17/379745617.db2.gz LDPKCAORSQVSFK-UHFFFAOYSA-N 1 1 267.376 3.016 20 30 CGEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@H]1CCCOC1 ZINC000352202172 379754136 /nfs/dbraw/zinc/75/41/36/379754136.db2.gz ILBGYROHOYTZAB-HNNXBMFYSA-N 1 1 272.392 3.099 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)cc1 ZINC000352377870 379787058 /nfs/dbraw/zinc/78/70/58/379787058.db2.gz ZMPXDSCBURJHFJ-IRXDYDNUSA-N 1 1 273.376 3.005 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)cc1 ZINC000352377870 379787060 /nfs/dbraw/zinc/78/70/60/379787060.db2.gz ZMPXDSCBURJHFJ-IRXDYDNUSA-N 1 1 273.376 3.005 20 30 CGEDMO CCc1cc(NCC2CCC(C#N)CC2)nc(C)[nH+]1 ZINC000281724530 379843203 /nfs/dbraw/zinc/84/32/03/379843203.db2.gz VPTXXCOJLZAULS-UHFFFAOYSA-N 1 1 258.369 3.089 20 30 CGEDMO C=CCc1cc(C[N@@H+](C)CCCSC)cc(OC)c1O ZINC000281313553 379827710 /nfs/dbraw/zinc/82/77/10/379827710.db2.gz QRMPJJZLNCUCAV-UHFFFAOYSA-N 1 1 295.448 3.314 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)c1cccnc1 ZINC000352807628 379971992 /nfs/dbraw/zinc/97/19/92/379971992.db2.gz WUSKQLGYFHNILP-AWEZNQCLSA-N 1 1 286.375 3.306 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)c1cccnc1 ZINC000352807628 379971996 /nfs/dbraw/zinc/97/19/96/379971996.db2.gz WUSKQLGYFHNILP-AWEZNQCLSA-N 1 1 286.375 3.306 20 30 CGEDMO N#Cc1csc(C[NH2+]Cc2ccc3ccccc3c2)n1 ZINC000352823484 379983196 /nfs/dbraw/zinc/98/31/96/379983196.db2.gz NMYPZNMIPMQUBU-UHFFFAOYSA-N 1 1 279.368 3.458 20 30 CGEDMO CCOc1cccc([C@@H](C)[NH2+]Cc2nc(C#N)cs2)c1 ZINC000352819929 379981313 /nfs/dbraw/zinc/98/13/13/379981313.db2.gz BJKMYZQPBVALQL-LLVKDONJSA-N 1 1 287.388 3.264 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1C[C@H](C)[C@@H](C)[C@H]1C ZINC000399682069 379943193 /nfs/dbraw/zinc/94/31/93/379943193.db2.gz RJHFKZONOYXHKO-YNEHKIRRSA-N 1 1 258.365 3.043 20 30 CGEDMO Cc1cc(C)cc([C@@H](C)[NH2+]Cc2nc(C#N)cs2)c1 ZINC000352844866 380001035 /nfs/dbraw/zinc/00/10/35/380001035.db2.gz HLUJROFYFUMHRJ-GFCCVEGCSA-N 1 1 271.389 3.482 20 30 CGEDMO CC(C)c1ccc(C[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000352852897 380005931 /nfs/dbraw/zinc/00/59/31/380005931.db2.gz LOGGCYMXOIFUKL-UHFFFAOYSA-N 1 1 271.389 3.428 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000409446521 380035594 /nfs/dbraw/zinc/03/55/94/380035594.db2.gz XGTFJLXCGWVKJT-HZPDHXFCSA-N 1 1 278.440 3.455 20 30 CGEDMO Cc1oc2ccccc2c1C[NH2+]Cc1nc(C#N)cs1 ZINC000352891566 380021762 /nfs/dbraw/zinc/02/17/62/380021762.db2.gz KOAPIQIOSWMTJU-UHFFFAOYSA-N 1 1 283.356 3.359 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H]1CCCCO1 ZINC000352945954 380051345 /nfs/dbraw/zinc/05/13/45/380051345.db2.gz HPLXOAGCRYUSRP-KRWDZBQOSA-N 1 1 291.439 3.411 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@H](COC(F)F)C1 ZINC000353006190 380072148 /nfs/dbraw/zinc/07/21/48/380072148.db2.gz FYYMVIAUZXXGBA-LBPRGKRZSA-N 1 1 274.355 3.268 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+]2CCCCC[C@@H]2CC(C)C)C1=O ZINC000410385002 380091304 /nfs/dbraw/zinc/09/13/04/380091304.db2.gz UZAUXRIOPOXHCP-CVEARBPZSA-N 1 1 278.440 3.064 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000411406116 380145201 /nfs/dbraw/zinc/14/52/01/380145201.db2.gz BKTHPXIERGBAJS-IUODEOHRSA-N 1 1 278.783 3.485 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)[C@H](C)C(=O)N[C@@H](C)CCC ZINC000411492595 380148546 /nfs/dbraw/zinc/14/85/46/380148546.db2.gz XDJLXQQNGFWXDC-LSDHHAIUSA-N 1 1 292.423 3.003 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)[C@H](C)C(=O)N[C@@H](C)CCC ZINC000411492595 380148551 /nfs/dbraw/zinc/14/85/51/380148551.db2.gz XDJLXQQNGFWXDC-LSDHHAIUSA-N 1 1 292.423 3.003 20 30 CGEDMO C=CC[N@@H+](CCc1cncs1)Cc1cccc(C#N)c1 ZINC000411189994 380133534 /nfs/dbraw/zinc/13/35/34/380133534.db2.gz GVEDRARRALZQEL-UHFFFAOYSA-N 1 1 283.400 3.245 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)C1CC(OC(C)C)C1 ZINC000411488504 380149081 /nfs/dbraw/zinc/14/90/81/380149081.db2.gz INURFFLBGGONGF-UHFFFAOYSA-N 1 1 263.381 3.266 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)[C@@H](C)C(=O)N[C@@H](C)CC ZINC000411196120 380134265 /nfs/dbraw/zinc/13/42/65/380134265.db2.gz JDVDQSSQTRWJRU-HOTGVXAUSA-N 1 1 288.435 3.020 20 30 CGEDMO CCCN1CCC([NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353424361 380206483 /nfs/dbraw/zinc/20/64/83/380206483.db2.gz GSGZHDAXIGZVDC-SFHVURJKSA-N 1 1 283.419 3.010 20 30 CGEDMO Cc1c([C@@H](C)[NH2+]CC(C)(C)CC#N)nnn1-c1ccccc1 ZINC000414165459 380196279 /nfs/dbraw/zinc/19/62/79/380196279.db2.gz MEFFHFXECGZPPV-CYBMUJFWSA-N 1 1 297.406 3.166 20 30 CGEDMO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000414163951 380196556 /nfs/dbraw/zinc/19/65/56/380196556.db2.gz JNZXJARGHLVSMA-WMZOPIPTSA-N 1 1 299.462 3.426 20 30 CGEDMO C[NH+](C)[C@@H]1CCC[C@@H](N[C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000353268314 380199239 /nfs/dbraw/zinc/19/92/39/380199239.db2.gz REZNSAUSJSRTPL-JFIYKMOQSA-N 1 1 283.419 3.008 20 30 CGEDMO Cc1c[nH]nc1C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000353916661 380234170 /nfs/dbraw/zinc/23/41/70/380234170.db2.gz RCVUTMDCBTXMDM-OAHLLOKOSA-N 1 1 268.364 3.243 20 30 CGEDMO Cc1cn2cc(Nc3cccc(F)c3C#N)ccc2[nH+]1 ZINC000354090773 380318535 /nfs/dbraw/zinc/31/85/35/380318535.db2.gz DMPHKVKWGIREBZ-UHFFFAOYSA-N 1 1 266.279 3.397 20 30 CGEDMO CC[N@@H+](Cc1occc1C)Cc1ccc(C#N)c(OC)c1 ZINC000414551454 380315651 /nfs/dbraw/zinc/31/56/51/380315651.db2.gz OZZNZAVTRJRSAA-UHFFFAOYSA-N 1 1 284.359 3.490 20 30 CGEDMO N#Cc1cccc([C@@H]2C[N@@H+](C[C@H]3CC=CCC3)CCO2)c1 ZINC000355140351 380594929 /nfs/dbraw/zinc/59/49/29/380594929.db2.gz UAIVHMFRWYJDKY-YJBOKZPZSA-N 1 1 282.387 3.288 20 30 CGEDMO CCn1cncc1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000417740146 380672655 /nfs/dbraw/zinc/67/26/55/380672655.db2.gz ZZXHXDDQMILGTJ-UHFFFAOYSA-N 1 1 282.391 3.185 20 30 CGEDMO Cc1cc(NC(=O)c2ccc(C#N)cc2C)cn2cc[nH+]c12 ZINC000355470756 380678821 /nfs/dbraw/zinc/67/88/21/380678821.db2.gz CBKJAXFUTFRMLI-UHFFFAOYSA-N 1 1 290.326 3.075 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCSC[C@H]1C1CCC1 ZINC000419371025 380817823 /nfs/dbraw/zinc/81/78/23/380817823.db2.gz IHVDILAMAGGLGO-KRWDZBQOSA-N 1 1 271.429 3.256 20 30 CGEDMO CC[N@H+](CCOc1ccccc1C)C[C@@H](C#N)CCC#N ZINC000420975484 380866717 /nfs/dbraw/zinc/86/67/17/380866717.db2.gz RCINBJYEGBROPX-MRXNPFEDSA-N 1 1 285.391 3.139 20 30 CGEDMO CC[N@@H+](CCOc1ccccc1C)C[C@@H](C#N)CCC#N ZINC000420975484 380866728 /nfs/dbraw/zinc/86/67/28/380866728.db2.gz RCINBJYEGBROPX-MRXNPFEDSA-N 1 1 285.391 3.139 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@H](O)CC12CCC2 ZINC000420988598 380868351 /nfs/dbraw/zinc/86/83/51/380868351.db2.gz AOAKARLFKQKRTC-AWEZNQCLSA-N 1 1 264.413 3.086 20 30 CGEDMO COCC#CC[N@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000646118595 380841679 /nfs/dbraw/zinc/84/16/79/380841679.db2.gz LPSOHMBBBFGKRC-KRWDZBQOSA-N 1 1 267.372 3.030 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)cc1F ZINC000421382303 380927423 /nfs/dbraw/zinc/92/74/23/380927423.db2.gz MNMIYFCTZSNDST-NVXWUHKLSA-N 1 1 270.351 3.318 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2C[C@H](O)CC[C@H]2C)cc1Cl ZINC000421366112 380902926 /nfs/dbraw/zinc/90/29/26/380902926.db2.gz CPXYGDIHGPTMCA-TZMCWYRMSA-N 1 1 295.810 3.250 20 30 CGEDMO Cc1cc(C[NH2+]C(C)(C)c2cn(C(C)C)nn2)ccc1C#N ZINC000421405804 380956597 /nfs/dbraw/zinc/95/65/97/380956597.db2.gz RUUGSUNNYIBDCB-UHFFFAOYSA-N 1 1 297.406 3.064 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1cc(-c2cccs2)on1 ZINC000279328533 194387296 /nfs/dbraw/zinc/38/72/96/194387296.db2.gz SZUZKUUPINDUMQ-UHFFFAOYSA-N 1 1 260.362 3.247 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1cc(-c2cccs2)on1 ZINC000279328533 194387299 /nfs/dbraw/zinc/38/72/99/194387299.db2.gz SZUZKUUPINDUMQ-UHFFFAOYSA-N 1 1 260.362 3.247 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2cccnc2C#N)C1 ZINC000357313612 381100817 /nfs/dbraw/zinc/10/08/17/381100817.db2.gz KKYNFMRZWLTCSN-GASCZTMLSA-N 1 1 286.423 3.123 20 30 CGEDMO CC[C@H](CC#N)[NH2+]C/C=C/c1ccc(F)cc1F ZINC000358278344 381300316 /nfs/dbraw/zinc/30/03/16/381300316.db2.gz MHHOXAYXNLGZGC-ITDFMYJTSA-N 1 1 250.292 3.260 20 30 CGEDMO C=C(CC)C[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000358503758 381313967 /nfs/dbraw/zinc/31/39/67/381313967.db2.gz DTCZTZGPXKSEBF-INIZCTEOSA-N 1 1 272.392 3.080 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1ccc(S(=O)(=O)C(C)C)cc1 ZINC000359585987 381355420 /nfs/dbraw/zinc/35/54/20/381355420.db2.gz CAFGHKUOEMKVQZ-UHFFFAOYSA-N 1 1 295.448 3.267 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(S(=O)(=O)C(C)C)cc1 ZINC000359585987 381355424 /nfs/dbraw/zinc/35/54/24/381355424.db2.gz CAFGHKUOEMKVQZ-UHFFFAOYSA-N 1 1 295.448 3.267 20 30 CGEDMO COc1ccc2c(c1)C[C@@H](C)[N@@H+](CC1(C#N)CC1)[C@H]2C ZINC000359643330 381358924 /nfs/dbraw/zinc/35/89/24/381358924.db2.gz ZFTUXXTUGYXSTR-OLZOCXBDSA-N 1 1 270.376 3.307 20 30 CGEDMO COc1ccc2c(c1)C[C@@H](C)[N@H+](CC1(C#N)CC1)[C@H]2C ZINC000359643330 381358930 /nfs/dbraw/zinc/35/89/30/381358930.db2.gz ZFTUXXTUGYXSTR-OLZOCXBDSA-N 1 1 270.376 3.307 20 30 CGEDMO CC[C@H]1CCC[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000360017598 381413257 /nfs/dbraw/zinc/41/32/57/381413257.db2.gz OZCITKBMAZMSLN-KRWDZBQOSA-N 1 1 294.402 3.333 20 30 CGEDMO CC[N@H+]1CCCC[C@@H]1CNc1nc(C)c(C#N)cc1Cl ZINC000360055187 381428008 /nfs/dbraw/zinc/42/80/08/381428008.db2.gz VETLFJMMXLUPQE-CYBMUJFWSA-N 1 1 292.814 3.201 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1C[C@@H](CC)O[C@]2(CCOC2)C1 ZINC000361509772 381782460 /nfs/dbraw/zinc/78/24/60/381782460.db2.gz WUTDTGDUYBMVKV-ARFHVFGLSA-N 1 1 267.413 3.001 20 30 CGEDMO C=CCCCCC[N@H+](CCO)Cc1ccc(C)o1 ZINC000361508671 381780240 /nfs/dbraw/zinc/78/02/40/381780240.db2.gz OGLJAUMLHHJOLF-UHFFFAOYSA-N 1 1 251.370 3.129 20 30 CGEDMO Cc1ccccc1C[C@H]1CCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000361555377 381802603 /nfs/dbraw/zinc/80/26/03/381802603.db2.gz AZLZRBIAWGYEFL-GOSISDBHSA-N 1 1 293.414 3.412 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1C[C@H](SC)[C@@H](N2CCCC2)C1 ZINC000362015917 381880423 /nfs/dbraw/zinc/88/04/23/381880423.db2.gz OZUJPKWKOUTDDN-JYJNAYRXSA-N 1 1 282.497 3.243 20 30 CGEDMO C=CCCC[C@H](C)N1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000362015917 381880428 /nfs/dbraw/zinc/88/04/28/381880428.db2.gz OZUJPKWKOUTDDN-JYJNAYRXSA-N 1 1 282.497 3.243 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000361648661 381858504 /nfs/dbraw/zinc/85/85/04/381858504.db2.gz UAEPESLHQWTLAU-UHFFFAOYSA-N 1 1 275.392 3.035 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H]1c1ccccc1 ZINC000362190004 381904551 /nfs/dbraw/zinc/90/45/51/381904551.db2.gz NIWQRZUWIPSKPI-NVXWUHKLSA-N 1 1 286.419 3.247 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@](C)(CC)C1 ZINC000362390378 381970952 /nfs/dbraw/zinc/97/09/52/381970952.db2.gz ITYUFWXDUAAZDL-RDJZCZTQSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@H+](C)[C@H](C)C(C)C)c1C ZINC000362295477 381933891 /nfs/dbraw/zinc/93/38/91/381933891.db2.gz LWJKBFKRBXPUPB-CQSZACIVSA-N 1 1 276.424 3.450 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+](CCCO)Cc1ccccc1 ZINC000362949892 382159786 /nfs/dbraw/zinc/15/97/86/382159786.db2.gz UUVQNISOUREAFK-UHFFFAOYSA-N 1 1 298.361 3.082 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@@H+](CCCO)Cc1ccccc1 ZINC000362949892 382159791 /nfs/dbraw/zinc/15/97/91/382159791.db2.gz UUVQNISOUREAFK-UHFFFAOYSA-N 1 1 298.361 3.082 20 30 CGEDMO C=CCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000363592007 382237185 /nfs/dbraw/zinc/23/71/85/382237185.db2.gz JQIDLQNJWXXNHB-QGZVFWFLSA-N 1 1 286.419 3.076 20 30 CGEDMO CO[C@@H]1CCC[N@H+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000363676234 382246002 /nfs/dbraw/zinc/24/60/02/382246002.db2.gz VQOKIOWTNFTKKG-CZUORRHYSA-N 1 1 258.365 3.120 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCC[C@@H]1CCS(C)(=O)=O ZINC000366447291 382309472 /nfs/dbraw/zinc/30/94/72/382309472.db2.gz ZVKXGBOQJVDFHQ-OAHLLOKOSA-N 1 1 287.469 3.022 20 30 CGEDMO C=C(C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000367620566 382352078 /nfs/dbraw/zinc/35/20/78/382352078.db2.gz YHGDTLPIFYJDQW-RCCFBDPRSA-N 1 1 270.420 3.162 20 30 CGEDMO C=C(CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000367620566 382352085 /nfs/dbraw/zinc/35/20/85/382352085.db2.gz YHGDTLPIFYJDQW-RCCFBDPRSA-N 1 1 270.420 3.162 20 30 CGEDMO C=C(CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000367620566 382352094 /nfs/dbraw/zinc/35/20/94/382352094.db2.gz YHGDTLPIFYJDQW-RCCFBDPRSA-N 1 1 270.420 3.162 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000289427895 197343127 /nfs/dbraw/zinc/34/31/27/197343127.db2.gz CNZORODRISTJDR-DLBZAZTESA-N 1 1 282.387 3.092 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000289427895 197343129 /nfs/dbraw/zinc/34/31/29/197343129.db2.gz CNZORODRISTJDR-DLBZAZTESA-N 1 1 282.387 3.092 20 30 CGEDMO COCCc1cc[nH+]c(N[C@H](C)c2ccc(C#N)cc2F)c1 ZINC000353845413 220363303 /nfs/dbraw/zinc/36/33/03/220363303.db2.gz NCFFCEURPXSLKX-GFCCVEGCSA-N 1 1 299.349 3.454 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000365432002 262364879 /nfs/dbraw/zinc/36/48/79/262364879.db2.gz KRHMCXPLLGPRQM-GJZGRUSLSA-N 1 1 264.413 3.207 20 30 CGEDMO C=CCC[C@H](NC[C@@]1([NH+](C)C)CCSC1)c1ccco1 ZINC000286190880 392379217 /nfs/dbraw/zinc/37/92/17/392379217.db2.gz RHSHRSFSRLHYDX-HOCLYGCPSA-N 1 1 294.464 3.314 20 30 CGEDMO Cc1cnn([C@H]2CC[N@@H+](CC#Cc3ccc(Cl)cc3)C2)c1 ZINC000289867659 392434534 /nfs/dbraw/zinc/43/45/34/392434534.db2.gz LOAMRSOGOQTFFL-KRWDZBQOSA-N 1 1 299.805 3.143 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)Cc1cccc(Cl)c1 ZINC000121164238 392408045 /nfs/dbraw/zinc/40/80/45/392408045.db2.gz LCXSNUPCJWKMQH-CQSZACIVSA-N 1 1 253.773 3.099 20 30 CGEDMO CC(C)[C@@H](C)[N@@H+](Cc1cnc2ccc(C#N)cn12)C1CC1 ZINC000505259326 392653287 /nfs/dbraw/zinc/65/32/87/392653287.db2.gz GGRQWBVBVBMTKY-CYBMUJFWSA-N 1 1 282.391 3.215 20 30 CGEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1ccccc1C(C)C ZINC000181299820 392726081 /nfs/dbraw/zinc/72/60/81/392726081.db2.gz NSWSTCHSEOTRLK-UHFFFAOYSA-N 1 1 260.381 3.256 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)Nc1ccccc1C(C)C ZINC000181299820 392726087 /nfs/dbraw/zinc/72/60/87/392726087.db2.gz NSWSTCHSEOTRLK-UHFFFAOYSA-N 1 1 260.381 3.256 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)cc1 ZINC000183366858 392755953 /nfs/dbraw/zinc/75/59/53/392755953.db2.gz UVFHQZPYBDEJAB-SFHVURJKSA-N 1 1 296.345 3.351 20 30 CGEDMO C[C@H]1CC[C@H](C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)O1 ZINC000190460437 392815661 /nfs/dbraw/zinc/81/56/61/392815661.db2.gz BHLKVLWRASRMPA-SUMWQHHRSA-N 1 1 270.376 3.090 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000516655073 392865938 /nfs/dbraw/zinc/86/59/38/392865938.db2.gz XGAMQWYVAGHWME-CQSZACIVSA-N 1 1 271.320 3.007 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000516655073 392865942 /nfs/dbraw/zinc/86/59/42/392865942.db2.gz XGAMQWYVAGHWME-CQSZACIVSA-N 1 1 271.320 3.007 20 30 CGEDMO CC(C)C[C@H]1CCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000396863649 392943819 /nfs/dbraw/zinc/94/38/19/392943819.db2.gz JEPZJUZPSRNXTC-MRXNPFEDSA-N 1 1 272.392 3.448 20 30 CGEDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459399825 392944199 /nfs/dbraw/zinc/94/41/99/392944199.db2.gz AXRSGISCSUQFQH-SMDDNHRTSA-N 1 1 273.336 3.087 20 30 CGEDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459405970 392944218 /nfs/dbraw/zinc/94/42/18/392944218.db2.gz FYESSPUGAMXBRK-IUODEOHRSA-N 1 1 287.363 3.477 20 30 CGEDMO C=CCOCC[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000338981751 392937835 /nfs/dbraw/zinc/93/78/35/392937835.db2.gz PCBZVKKRWUAPRV-UHFFFAOYSA-N 1 1 257.736 3.114 20 30 CGEDMO C=CCOCC[N@H+](C)Cc1ccc(F)cc1Cl ZINC000338981751 392937841 /nfs/dbraw/zinc/93/78/41/392937841.db2.gz PCBZVKKRWUAPRV-UHFFFAOYSA-N 1 1 257.736 3.114 20 30 CGEDMO COc1c(C)cc(C[N@@H+](C)[C@@H]2CC[C@H](C#N)C2)cc1C ZINC000338956306 392937876 /nfs/dbraw/zinc/93/78/76/392937876.db2.gz WVOXANDLWJRZQS-GOEBONIOSA-N 1 1 272.392 3.436 20 30 CGEDMO C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C(C1CC1)C1CC1 ZINC000459331485 392941755 /nfs/dbraw/zinc/94/17/55/392941755.db2.gz WBGUESLFILGLEV-UHFFFAOYSA-N 1 1 285.347 3.087 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000198698081 392978835 /nfs/dbraw/zinc/97/88/35/392978835.db2.gz ONNCNEUHLMNWKZ-CYBMUJFWSA-N 1 1 253.349 3.185 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000411626106 392982054 /nfs/dbraw/zinc/98/20/54/392982054.db2.gz WHBLLCAGRGTOCT-ZDUSSCGKSA-N 1 1 250.386 3.102 20 30 CGEDMO CO[C@]1(C)CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411656946 392984993 /nfs/dbraw/zinc/98/49/93/392984993.db2.gz DWYOZBHKYZLGJE-OAHLLOKOSA-N 1 1 264.413 3.351 20 30 CGEDMO N#Cc1ccc(C[NH+]2C3CCC2CC3)c(OC(F)F)c1 ZINC000530995057 392987881 /nfs/dbraw/zinc/98/78/81/392987881.db2.gz PIECFEGCAYOTDZ-UHFFFAOYSA-N 1 1 278.302 3.286 20 30 CGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](C)CC1 ZINC000216158693 392989031 /nfs/dbraw/zinc/98/90/31/392989031.db2.gz WAYPLMNBRMQHTJ-ZIAGYGMSSA-N 1 1 285.391 3.007 20 30 CGEDMO CC(C)(C[NH+]1CCCC1)NCCC1(C#N)CCCCC1 ZINC000411866619 392990624 /nfs/dbraw/zinc/99/06/24/392990624.db2.gz IBSVOBSPKDLBHL-UHFFFAOYSA-N 1 1 277.456 3.315 20 30 CGEDMO COC[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000221120341 393006380 /nfs/dbraw/zinc/00/63/80/393006380.db2.gz NOMUZHBDZCPEDE-ZDUSSCGKSA-N 1 1 278.783 3.070 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000342820106 393009308 /nfs/dbraw/zinc/00/93/08/393009308.db2.gz FYCAMBXVSKSCGB-AEFFLSMTSA-N 1 1 287.403 3.395 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)Cc1ccnc(OC)c1 ZINC000342863662 393010210 /nfs/dbraw/zinc/01/02/10/393010210.db2.gz IGFRURAFPIMXSO-UHFFFAOYSA-N 1 1 274.389 3.340 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccnc(OC)c1 ZINC000342863662 393010215 /nfs/dbraw/zinc/01/02/15/393010215.db2.gz IGFRURAFPIMXSO-UHFFFAOYSA-N 1 1 274.389 3.340 20 30 CGEDMO C[C@H]1CCSCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000348170301 393115381 /nfs/dbraw/zinc/11/53/81/393115381.db2.gz TWJFINMNSMXDIO-NSHDSACASA-N 1 1 264.369 3.025 20 30 CGEDMO C[C@H]1CCSCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000348170301 393115395 /nfs/dbraw/zinc/11/53/95/393115395.db2.gz TWJFINMNSMXDIO-NSHDSACASA-N 1 1 264.369 3.025 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCCC2(CCC2)C1 ZINC000348183206 393116338 /nfs/dbraw/zinc/11/63/38/393116338.db2.gz SVNXYNJOLGWIGT-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCOc1cccc(C[NH+]2CCC(F)(C#N)CC2)c1 ZINC000348704911 393128759 /nfs/dbraw/zinc/12/87/59/393128759.db2.gz FTKSRVKGSZATJG-UHFFFAOYSA-N 1 1 274.339 3.079 20 30 CGEDMO C[NH+](C)CC1(CN[C@@H]2CCc3ccc(C#N)cc32)CCCC1 ZINC000353680348 393230253 /nfs/dbraw/zinc/23/02/53/393230253.db2.gz TZCNEYBLDJQZGO-GOSISDBHSA-N 1 1 297.446 3.257 20 30 CGEDMO CN(C)CC1(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)CCCC1 ZINC000353680348 393230259 /nfs/dbraw/zinc/23/02/59/393230259.db2.gz TZCNEYBLDJQZGO-GOSISDBHSA-N 1 1 297.446 3.257 20 30 CGEDMO C=C(C)CN1CC[N@@H+](CC(=C)C)[C@@H]([C@@H](C)CC)C1 ZINC000270010179 393234109 /nfs/dbraw/zinc/23/41/09/393234109.db2.gz LPPCSQRYHWALML-JKSUJKDBSA-N 1 1 250.430 3.171 20 30 CGEDMO C=C(C)CN1CC[N@@H+](CC(=C)C)C[C@@H]1[C@@H](C)CC ZINC000270010179 393234116 /nfs/dbraw/zinc/23/41/16/393234116.db2.gz LPPCSQRYHWALML-JKSUJKDBSA-N 1 1 250.430 3.171 20 30 CGEDMO C=C(C)CN1CC[N@H+](CC(=C)C)C[C@@H]1[C@@H](C)CC ZINC000270010179 393234119 /nfs/dbraw/zinc/23/41/19/393234119.db2.gz LPPCSQRYHWALML-JKSUJKDBSA-N 1 1 250.430 3.171 20 30 CGEDMO CC(C)c1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)[nH]1 ZINC000271908171 393255857 /nfs/dbraw/zinc/25/58/57/393255857.db2.gz XFICFAQBWJYVAY-VXGBXAGGSA-N 1 1 283.379 3.212 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000355203005 393256335 /nfs/dbraw/zinc/25/63/35/393256335.db2.gz DCTJKYFEKGHPEB-HUUCEWRRSA-N 1 1 264.413 3.065 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CCCC1 ZINC000649243146 393384346 /nfs/dbraw/zinc/38/43/46/393384346.db2.gz JFRFQYXWOUZSPT-QGZVFWFLSA-N 1 1 298.430 3.426 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CCCC1 ZINC000649243146 393384351 /nfs/dbraw/zinc/38/43/51/393384351.db2.gz JFRFQYXWOUZSPT-QGZVFWFLSA-N 1 1 298.430 3.426 20 30 CGEDMO C[C@H]1C[C@H](Nc2cc(C#N)ccc2C(F)(F)F)CC[N@H+]1C ZINC000475516754 393406421 /nfs/dbraw/zinc/40/64/21/393406421.db2.gz OBENEVYQCOKBSO-CMPLNLGQSA-N 1 1 297.324 3.472 20 30 CGEDMO CCS[C@H]1CCCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000356198907 393379428 /nfs/dbraw/zinc/37/94/28/393379428.db2.gz XDYRNDOJSFBKIB-LBPRGKRZSA-N 1 1 281.450 3.122 20 30 CGEDMO CCS[C@H]1CCCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000356198907 393379432 /nfs/dbraw/zinc/37/94/32/393379432.db2.gz XDYRNDOJSFBKIB-LBPRGKRZSA-N 1 1 281.450 3.122 20 30 CGEDMO C[C@@H]1CC[C@@H]([N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000429559658 393479941 /nfs/dbraw/zinc/47/99/41/393479941.db2.gz LVKYDNLGJNTUME-IUODEOHRSA-N 1 1 296.374 3.229 20 30 CGEDMO C[C@H](c1cccc(F)c1)[NH+]1CCC(F)(C#N)CC1 ZINC000352489761 299636380 /nfs/dbraw/zinc/63/63/80/299636380.db2.gz CMYPSXXLDKJCCI-LLVKDONJSA-N 1 1 250.292 3.214 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCC[C@H]1C ZINC000488100814 393458286 /nfs/dbraw/zinc/45/82/86/393458286.db2.gz ZGESRDDXRGGHJX-CXAGYDPISA-N 1 1 290.382 3.334 20 30 CGEDMO Cc1cc(C[NH+]2CCN(c3cccs3)CC2)ccc1C#N ZINC000488193742 393470061 /nfs/dbraw/zinc/47/00/61/393470061.db2.gz CNDMZQKMYVDTOZ-UHFFFAOYSA-N 1 1 297.427 3.250 20 30 CGEDMO C[C@@H]1CC[C@H]([N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000429574059 393485554 /nfs/dbraw/zinc/48/55/54/393485554.db2.gz FCJUDGLCRRZFIM-CJNGLKHVSA-N 1 1 285.391 3.007 20 30 CGEDMO Cc1cc(C[N@@H+]2CCS[C@H](C)[C@@H]2C)ccc1C#N ZINC000488413377 393503911 /nfs/dbraw/zinc/50/39/11/393503911.db2.gz ZIYWSIODTQKDRO-QWHCGFSZSA-N 1 1 260.406 3.193 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@H](c2nc(C)no2)C1 ZINC000359505246 393550786 /nfs/dbraw/zinc/55/07/86/393550786.db2.gz FSISOECTULKPNN-OCCSQVGLSA-N 1 1 263.385 3.302 20 30 CGEDMO CC[N@@H+](CC#Cc1cccc(Cl)c1)[C@@H]1CCCOC1 ZINC000649755060 393573569 /nfs/dbraw/zinc/57/35/69/393573569.db2.gz DEMAYGVFNVMMHZ-MRXNPFEDSA-N 1 1 277.795 3.192 20 30 CGEDMO CC[N@@H+](CC#Cc1ccc(Cl)cc1)[C@H]1CCCOC1 ZINC000649757522 393575032 /nfs/dbraw/zinc/57/50/32/393575032.db2.gz QFBFPNUYFHFDBO-INIZCTEOSA-N 1 1 277.795 3.192 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](CCC3CCOCC3)CC2)cc1 ZINC000432773416 393636621 /nfs/dbraw/zinc/63/66/21/393636621.db2.gz GACJFFHFVSVVCS-UHFFFAOYSA-N 1 1 296.414 3.464 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000442676817 393738710 /nfs/dbraw/zinc/73/87/10/393738710.db2.gz BLFQTALCUHPJQC-OLMNPRSZSA-N 1 1 284.403 3.368 20 30 CGEDMO COc1cc(C[NH+]2CC(c3ccccc3F)C2)ccc1C#N ZINC000361237548 393709863 /nfs/dbraw/zinc/70/98/63/393709863.db2.gz KPTGKAOPHPQEEP-UHFFFAOYSA-N 1 1 296.345 3.305 20 30 CGEDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@@H](C)C1 ZINC000443638585 393768296 /nfs/dbraw/zinc/76/82/96/393768296.db2.gz DWMBBQVDWCRSPW-CABCVRRESA-N 1 1 299.418 3.255 20 30 CGEDMO Cc1cc(CNC[C@H]2CCC[N@@H+](CC(C)C)C2)ccc1C#N ZINC000443988109 393780234 /nfs/dbraw/zinc/78/02/34/393780234.db2.gz KSPXBPRCFVMDBT-GOSISDBHSA-N 1 1 299.462 3.324 20 30 CGEDMO Cc1cc(CNC[C@H]2CCC[N@H+](CC(C)C)C2)ccc1C#N ZINC000443988109 393780240 /nfs/dbraw/zinc/78/02/40/393780240.db2.gz KSPXBPRCFVMDBT-GOSISDBHSA-N 1 1 299.462 3.324 20 30 CGEDMO CC(C)[C@@H]1[C@@H](C(C)C)C[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000449559764 393902990 /nfs/dbraw/zinc/90/29/90/393902990.db2.gz ZAPKCHLMYQXIEJ-HZPDHXFCSA-N 1 1 259.397 3.009 20 30 CGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCCC(C)(C)C1 ZINC000446066214 393844427 /nfs/dbraw/zinc/84/44/27/393844427.db2.gz JJOMFIQMJBDOIU-CQSZACIVSA-N 1 1 299.418 3.397 20 30 CGEDMO CO[C@H]1C[C@H]([N@@H+](C)Cc2cc(C#N)cs2)C12CCC2 ZINC000449627819 393926309 /nfs/dbraw/zinc/92/63/09/393926309.db2.gz AUTPICMDGZSDLG-KBPBESRZSA-N 1 1 276.405 3.009 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(O[C@@H](C)COC)cc1 ZINC000667473526 542873009 /nfs/dbraw/zinc/87/30/09/542873009.db2.gz MSOYRMDKRWKNGQ-HNNXBMFYSA-N 1 1 277.408 3.498 20 30 CGEDMO C=CCC[N@H+](C)Cc1cncc(Br)c1C ZINC000668039955 542962530 /nfs/dbraw/zinc/96/25/30/542962530.db2.gz GWZBPNXJBUBENB-UHFFFAOYSA-N 1 1 269.186 3.160 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2cnc(C)n2C)CCCC1(C)C ZINC000668070547 542965438 /nfs/dbraw/zinc/96/54/38/542965438.db2.gz STEHOSFMMOGJCP-HNNXBMFYSA-N 1 1 261.413 3.295 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2c(C)nc3sc(C)nn23)C1 ZINC000668494376 543020400 /nfs/dbraw/zinc/02/04/00/543020400.db2.gz YJOKGZUBWBZPEY-ZDUSSCGKSA-N 1 1 290.436 3.196 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2c(CC)nn(C)c2CC)C1 ZINC000668492838 543020426 /nfs/dbraw/zinc/02/04/26/543020426.db2.gz HIOBGZIUULPLNS-CQSZACIVSA-N 1 1 275.440 3.333 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cnc3nc(C)cc(C)n23)C1 ZINC000668493569 543020631 /nfs/dbraw/zinc/02/06/31/543020631.db2.gz PBXFLJPVGRBCLL-OAHLLOKOSA-N 1 1 284.407 3.134 20 30 CGEDMO C=CCC[C@H]([NH2+]CCc1ccc2cn[nH]c2c1)C1CC1 ZINC000671301164 543167312 /nfs/dbraw/zinc/16/73/12/543167312.db2.gz IBKMCZRIZXEZDZ-INIZCTEOSA-N 1 1 269.392 3.440 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000672578680 543217776 /nfs/dbraw/zinc/21/77/76/543217776.db2.gz VNKUMWNEPSOZKR-AAEUAGOBSA-N 1 1 251.395 3.068 20 30 CGEDMO CC(C)CC(N)=[NH+]OCc1cc(Cl)ccc1OCC#N ZINC000735302577 572713424 /nfs/dbraw/zinc/71/34/24/572713424.db2.gz AEFUUWQRCIENEX-UHFFFAOYSA-N 1 1 295.770 3.287 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000674252286 543276981 /nfs/dbraw/zinc/27/69/81/543276981.db2.gz VHGBDGOBILTMOO-KRWDZBQOSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C(C)[C@@H](CO)[N@@H+](C)CCc1cccc2ccccc21 ZINC000677478211 543450870 /nfs/dbraw/zinc/45/08/70/543450870.db2.gz RLLCZAXRVBHNRF-GOSISDBHSA-N 1 1 269.388 3.251 20 30 CGEDMO COCC#CC[N@H+]1CC[C@H](C)C[C@@H]1c1ccc(C)o1 ZINC000677820721 543467860 /nfs/dbraw/zinc/46/78/60/543467860.db2.gz TZBJMGSSFRYVIR-DZGCQCFKSA-N 1 1 261.365 3.011 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccc(N(C)C)nc1 ZINC000678214898 543494982 /nfs/dbraw/zinc/49/49/82/543494982.db2.gz JUDFLLXAOVZMNA-UHFFFAOYSA-N 1 1 295.430 3.378 20 30 CGEDMO C=CCOc1ccc(C[N@H+](CCO)CC(C)(C)C)cc1 ZINC000678239891 543499436 /nfs/dbraw/zinc/49/94/36/543499436.db2.gz BKDZEQCRQOBCKV-UHFFFAOYSA-N 1 1 277.408 3.092 20 30 CGEDMO C=CCCC[C@@H](C)Nc1nc(N2CCCC2)cc[nH+]1 ZINC000678832290 543564932 /nfs/dbraw/zinc/56/49/32/543564932.db2.gz FTZQEQBEWSJARM-CYBMUJFWSA-N 1 1 260.385 3.234 20 30 CGEDMO CSCc1cc(F)ccc1C[NH2+]Cc1ccc(C#N)o1 ZINC000088751856 165195851 /nfs/dbraw/zinc/19/58/51/165195851.db2.gz BAECSGZSTXPKHY-UHFFFAOYSA-N 1 1 290.363 3.443 20 30 CGEDMO N#Cc1ccc(F)c(C[NH+]2CCC(C(F)(F)F)CC2)c1 ZINC000088420317 165196233 /nfs/dbraw/zinc/19/62/33/165196233.db2.gz SWBQERQZLOPMKJ-UHFFFAOYSA-N 1 1 286.272 3.472 20 30 CGEDMO N#Cc1ccccc1-c1ccc(C[NH2+]Cc2ncc[nH]2)cc1 ZINC000091068166 165254854 /nfs/dbraw/zinc/25/48/54/165254854.db2.gz XRGLTVAAWVVEPK-UHFFFAOYSA-N 1 1 288.354 3.238 20 30 CGEDMO COc1ccc(CCC[N@@H+](C)Cc2ccc(C#N)o2)cc1 ZINC000092163645 165282732 /nfs/dbraw/zinc/28/27/32/165282732.db2.gz MJBODTAQSNFHIE-UHFFFAOYSA-N 1 1 284.359 3.224 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@H](C)c2cccnc2)cc1C#N ZINC000093234361 165325994 /nfs/dbraw/zinc/32/59/94/165325994.db2.gz ZBOSBSDLPHASJC-CYBMUJFWSA-N 1 1 281.359 3.155 20 30 CGEDMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000003583550 169899555 /nfs/dbraw/zinc/89/95/55/169899555.db2.gz RDXNJEZGOIKMKG-NSHDSACASA-N 1 1 291.782 3.025 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000003583550 169899556 /nfs/dbraw/zinc/89/95/56/169899556.db2.gz RDXNJEZGOIKMKG-NSHDSACASA-N 1 1 291.782 3.025 20 30 CGEDMO C=C(C)COc1cc(C[N@@H+]2CC=CCC2)ccc1OC ZINC000679357475 543626173 /nfs/dbraw/zinc/62/61/73/543626173.db2.gz SXMYAKQAWFIZKF-UHFFFAOYSA-N 1 1 273.376 3.412 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1c[nH]nc1-c1cccc(OC)c1 ZINC000679361690 543629737 /nfs/dbraw/zinc/62/97/37/543629737.db2.gz UVBLYQKQLLKTNK-UHFFFAOYSA-N 1 1 271.364 3.093 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@H](OC(F)F)C2)c1 ZINC000679741133 543659587 /nfs/dbraw/zinc/65/95/87/543659587.db2.gz VSNWRBMMCFJVOH-HNNXBMFYSA-N 1 1 297.345 3.455 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc2c(c(Cl)c1)OCO2 ZINC000682435054 543845111 /nfs/dbraw/zinc/84/51/11/543845111.db2.gz IPFGOMIFMBHFQO-UHFFFAOYSA-N 1 1 253.729 3.077 20 30 CGEDMO Fc1cccc(O[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)c1 ZINC000683021621 543890782 /nfs/dbraw/zinc/89/07/82/543890782.db2.gz GNCBGCSPLLHBEF-IBGZPJMESA-N 1 1 295.357 3.331 20 30 CGEDMO C=C(C)C[C@H](C)c1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1 ZINC000685325478 544062860 /nfs/dbraw/zinc/06/28/60/544062860.db2.gz GBOFHQXJVOGUHM-FUDCBSFHSA-N 1 1 275.396 3.480 20 30 CGEDMO N#Cc1ccccc1OCC[N@@H+]1CCc2cccc(F)c2C1 ZINC000347942043 226394209 /nfs/dbraw/zinc/39/42/09/226394209.db2.gz DZCBPSSVBYLJJH-UHFFFAOYSA-N 1 1 296.345 3.134 20 30 CGEDMO N#Cc1ccccc1OCC[N@H+]1CCc2cccc(F)c2C1 ZINC000347942043 226394211 /nfs/dbraw/zinc/39/42/11/226394211.db2.gz DZCBPSSVBYLJJH-UHFFFAOYSA-N 1 1 296.345 3.134 20 30 CGEDMO C=CC(C)(C)C(=O)NCCC[N@H+](CC)C1CCCCC1 ZINC000650372095 418935409 /nfs/dbraw/zinc/93/54/09/418935409.db2.gz FLFFTTRNYJBSEO-UHFFFAOYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@@H+](CCO[C@@H]1CC1(F)F)CCc1ccccc1 ZINC000659856227 419015815 /nfs/dbraw/zinc/01/58/15/419015815.db2.gz AJDLCHDPCNFHMA-OAHLLOKOSA-N 1 1 281.346 3.141 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC000659947031 419041587 /nfs/dbraw/zinc/04/15/87/419041587.db2.gz LKLBQCGJQYRLNB-ARFHVFGLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCn1cc(C[N@H+](C)C[C@@H](C)c2ccccc2)nn1 ZINC000653539181 419043959 /nfs/dbraw/zinc/04/39/59/419043959.db2.gz VKEAUPUCJJSKDQ-OAHLLOKOSA-N 1 1 284.407 3.090 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1nc(C)oc1C ZINC000660225374 419105008 /nfs/dbraw/zinc/10/50/08/419105008.db2.gz OWJDIUDWIPMMBB-UHFFFAOYSA-N 1 1 260.337 3.115 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1nc(C)oc1C ZINC000660225374 419105013 /nfs/dbraw/zinc/10/50/13/419105013.db2.gz OWJDIUDWIPMMBB-UHFFFAOYSA-N 1 1 260.337 3.115 20 30 CGEDMO C=CCC1(NC(=O)NCCCC[N@H+](C)C2CC2)CCCC1 ZINC000665080165 419050995 /nfs/dbraw/zinc/05/09/95/419050995.db2.gz MUYPMCKICMEMRX-UHFFFAOYSA-N 1 1 293.455 3.049 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CCc1noc2ccccc21 ZINC000653648372 419064434 /nfs/dbraw/zinc/06/44/34/419064434.db2.gz UKYDIAJZCXGULC-CYBMUJFWSA-N 1 1 256.349 3.411 20 30 CGEDMO OCC1([N@@H+](CC#Cc2ccc(Cl)cc2)C2CC2)CCC1 ZINC000660785431 419196370 /nfs/dbraw/zinc/19/63/70/419196370.db2.gz JLTZNANFZBGVDI-UHFFFAOYSA-N 1 1 289.806 3.071 20 30 CGEDMO C=CC[N@H+](CCC(=O)c1ccc(C)cc1)[C@@H](C)COC ZINC000661239227 419243152 /nfs/dbraw/zinc/24/31/52/419243152.db2.gz DHPDRBOJRNBHGK-HNNXBMFYSA-N 1 1 275.392 3.091 20 30 CGEDMO C=CC[N@@H+](Cc1ccc2ncccc2c1)[C@@H](C)COC ZINC000661240770 419243192 /nfs/dbraw/zinc/24/31/92/419243192.db2.gz QXFZQEKMUGRFDZ-AWEZNQCLSA-N 1 1 270.376 3.258 20 30 CGEDMO C=CC[N@@H+](Cc1cnc2ccccc2c1)[C@H](C)COC ZINC000661239421 419243301 /nfs/dbraw/zinc/24/33/01/419243301.db2.gz GGVCTZCFIVHETI-CQSZACIVSA-N 1 1 270.376 3.258 20 30 CGEDMO C=CC[N@@H+](CC1CCC(F)(F)CC1)[C@@H](C)COC ZINC000661240951 419243669 /nfs/dbraw/zinc/24/36/69/419243669.db2.gz UKMPBIJPNJOUEE-LBPRGKRZSA-N 1 1 261.356 3.335 20 30 CGEDMO C=CC[N@H+](CCc1c(F)cccc1F)[C@@H](C)COC ZINC000661239462 419243749 /nfs/dbraw/zinc/24/37/49/419243749.db2.gz MLXOXVLCDPTNCN-LBPRGKRZSA-N 1 1 269.335 3.030 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)N[C@H](C)c2cccs2)C1 ZINC000661377966 419255081 /nfs/dbraw/zinc/25/50/81/419255081.db2.gz XYWYQOMVLOQDBB-ZIAGYGMSSA-N 1 1 292.448 3.213 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@H](C)c2nc(C3CC3)no2)C1 ZINC000661378972 419256009 /nfs/dbraw/zinc/25/60/09/419256009.db2.gz PUVGBQDGLGGVMD-NEPJUHHUSA-N 1 1 261.369 3.296 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]Cc1ccnn1CCC ZINC000657356996 419258883 /nfs/dbraw/zinc/25/88/83/419258883.db2.gz KNLJYSJCMXADRN-UHFFFAOYSA-N 1 1 285.391 3.148 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)[C@H]1CCO ZINC000661493082 419266808 /nfs/dbraw/zinc/26/68/08/419266808.db2.gz NJFHFZVBYPJVRQ-PBHICJAKSA-N 1 1 291.822 3.174 20 30 CGEDMO C=CCCCCNC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000661033818 419223115 /nfs/dbraw/zinc/22/31/15/419223115.db2.gz LMYPSJAJGWXESE-OAHLLOKOSA-N 1 1 293.455 3.049 20 30 CGEDMO C=CCOCC[N@@H+](Cc1ccccc1)[C@H]1COC(C)(C)C1 ZINC000661196444 419239977 /nfs/dbraw/zinc/23/99/77/419239977.db2.gz SBZNIKQYBFAHJV-QGZVFWFLSA-N 1 1 289.419 3.259 20 30 CGEDMO C=CC[N@H+](Cc1cn(-c2ccccc2)nn1)C(C)(C)C ZINC000661756303 419295297 /nfs/dbraw/zinc/29/52/97/419295297.db2.gz JJJLDDZFSWLVIG-UHFFFAOYSA-N 1 1 270.380 3.054 20 30 CGEDMO C=CC[N@@H+](Cc1cn(-c2ccccc2)nn1)C(C)(C)C ZINC000661756303 419295299 /nfs/dbraw/zinc/29/52/99/419295299.db2.gz JJJLDDZFSWLVIG-UHFFFAOYSA-N 1 1 270.380 3.054 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCN1C[C@@H](C)C[C@H](C)C1 ZINC000662088558 419334867 /nfs/dbraw/zinc/33/48/67/419334867.db2.gz JFUNDPZVYCVUBU-LUKYLMHMSA-N 1 1 262.441 3.147 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN1C[C@@H](C)C[C@H](C)C1 ZINC000662088558 419334869 /nfs/dbraw/zinc/33/48/69/419334869.db2.gz JFUNDPZVYCVUBU-LUKYLMHMSA-N 1 1 262.441 3.147 20 30 CGEDMO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCN(C)C1 ZINC000657876453 419399280 /nfs/dbraw/zinc/39/92/80/419399280.db2.gz MCLCUPCKFCGEII-XHSDSOJGSA-N 1 1 250.430 3.053 20 30 CGEDMO CC(=O)c1ccc(C#N)c(NC[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000664142727 419841391 /nfs/dbraw/zinc/84/13/91/419841391.db2.gz MQDOMCZLEMEFFG-OAHLLOKOSA-N 1 1 285.391 3.046 20 30 CGEDMO COc1ccc(Cl)cc1C[N@H+](C)CCCC#N ZINC000072982021 260279665 /nfs/dbraw/zinc/27/96/65/260279665.db2.gz KPBVASDFPZSCLO-UHFFFAOYSA-N 1 1 252.745 3.084 20 30 CGEDMO COc1ccc(Cl)cc1C[N@@H+](C)CCCC#N ZINC000072982021 260279667 /nfs/dbraw/zinc/27/96/67/260279667.db2.gz KPBVASDFPZSCLO-UHFFFAOYSA-N 1 1 252.745 3.084 20 30 CGEDMO C[N@@H+](CCCSCC#N)[C@@H]1CCc2ccccc2C1 ZINC000080633087 260316930 /nfs/dbraw/zinc/31/69/30/260316930.db2.gz YVMAJBUPIBHQAS-MRXNPFEDSA-N 1 1 274.433 3.123 20 30 CGEDMO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000091860132 260486756 /nfs/dbraw/zinc/48/67/56/260486756.db2.gz XBEWYHGPYWEFSQ-LSDHHAIUSA-N 1 1 271.408 3.267 20 30 CGEDMO C#CC[N@H+](CC)Cc1cccc(-c2cccnc2)c1 ZINC000490897117 261240753 /nfs/dbraw/zinc/24/07/53/261240753.db2.gz AAKSXRPBWOOMPB-UHFFFAOYSA-N 1 1 250.345 3.204 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1cnc(-c2ccccc2)s1 ZINC000491757476 262009869 /nfs/dbraw/zinc/00/98/69/262009869.db2.gz DRTNRUXTAFFQHC-LBPRGKRZSA-N 1 1 256.374 3.264 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1cnc(-c2ccccc2)s1 ZINC000491757476 262009871 /nfs/dbraw/zinc/00/98/71/262009871.db2.gz DRTNRUXTAFFQHC-LBPRGKRZSA-N 1 1 256.374 3.264 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCOCC2(CCC2)C1 ZINC000363889025 262010815 /nfs/dbraw/zinc/01/08/15/262010815.db2.gz RWGCXYBYPQAYSR-UHFFFAOYSA-N 1 1 298.430 3.490 20 30 CGEDMO CC(C)(C)[C@H]1CCC[N@@H+](CCOCCC#N)CC1 ZINC000338997870 262148746 /nfs/dbraw/zinc/14/87/46/262148746.db2.gz XDVDFBCMMOFSLY-AWEZNQCLSA-N 1 1 252.402 3.065 20 30 CGEDMO CCC(CC)C[N@@H+](CC)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000488513611 262329819 /nfs/dbraw/zinc/32/98/19/262329819.db2.gz KQBBAOWGMQKWBK-WMLDXEAASA-N 1 1 295.471 3.187 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000336827781 262397970 /nfs/dbraw/zinc/39/79/70/262397970.db2.gz IWQPERCKQFVZQW-ZDUSSCGKSA-N 1 1 292.345 3.096 20 30 CGEDMO Cc1nnc([C@@H]2CCC[N@@H+](CCCCC(C)(C)C#N)C2)[nH]1 ZINC000336845373 262399076 /nfs/dbraw/zinc/39/90/76/262399076.db2.gz MPTRCZBTWMBNKN-CQSZACIVSA-N 1 1 289.427 3.013 20 30 CGEDMO Cc1n[nH]c([C@@H]2CCC[N@H+](CCCCC(C)(C)C#N)C2)n1 ZINC000336845373 262399077 /nfs/dbraw/zinc/39/90/77/262399077.db2.gz MPTRCZBTWMBNKN-CQSZACIVSA-N 1 1 289.427 3.013 20 30 CGEDMO Cc1n[nH]c([C@@H]2CCC[N@@H+](CCCCC(C)(C)C#N)C2)n1 ZINC000336845373 262399078 /nfs/dbraw/zinc/39/90/78/262399078.db2.gz MPTRCZBTWMBNKN-CQSZACIVSA-N 1 1 289.427 3.013 20 30 CGEDMO Cc1nc([C@@H]2CCC[N@H+](CCCCC(C)(C)C#N)C2)n[nH]1 ZINC000336845373 262399080 /nfs/dbraw/zinc/39/90/80/262399080.db2.gz MPTRCZBTWMBNKN-CQSZACIVSA-N 1 1 289.427 3.013 20 30 CGEDMO Cc1nc([C@@H]2CCC[N@@H+](CCCCC(C)(C)C#N)C2)n[nH]1 ZINC000336845373 262399081 /nfs/dbraw/zinc/39/90/81/262399081.db2.gz MPTRCZBTWMBNKN-CQSZACIVSA-N 1 1 289.427 3.013 20 30 CGEDMO CSc1ccc(OCC[N@H+](C[C@@H](C)C#N)C2CC2)cc1 ZINC000338350868 262526191 /nfs/dbraw/zinc/52/61/91/262526191.db2.gz QBGULQWUHJIBFV-ZDUSSCGKSA-N 1 1 290.432 3.411 20 30 CGEDMO CSc1ccc(OCC[N@@H+](C[C@@H](C)C#N)C2CC2)cc1 ZINC000338350868 262526193 /nfs/dbraw/zinc/52/61/93/262526193.db2.gz QBGULQWUHJIBFV-ZDUSSCGKSA-N 1 1 290.432 3.411 20 30 CGEDMO C=C[C@@H](C)[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000339502688 262649151 /nfs/dbraw/zinc/64/91/51/262649151.db2.gz UZNLWNUEAXNAEM-SECBINFHSA-N 1 1 297.189 3.238 20 30 CGEDMO CC(C)(C#N)CC[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000272020813 263001356 /nfs/dbraw/zinc/00/13/56/263001356.db2.gz MWSNJCKIVCOVCC-QGZVFWFLSA-N 1 1 286.419 3.298 20 30 CGEDMO CCN(C(=O)[C@@H](C)[NH+]1CCC(C)(C#N)CC1)c1ccccc1 ZINC000272589951 263007337 /nfs/dbraw/zinc/00/73/37/263007337.db2.gz PKZLJJJXGBTUIM-OAHLLOKOSA-N 1 1 299.418 3.054 20 30 CGEDMO CC1(C#N)CC[NH+](CCOc2ccc(F)cc2Cl)CC1 ZINC000272631916 263007921 /nfs/dbraw/zinc/00/79/21/263007921.db2.gz WKGPUGDEYYOQHB-UHFFFAOYSA-N 1 1 296.773 3.484 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cnc(-c2ccncc2)s1 ZINC000353174164 263008555 /nfs/dbraw/zinc/00/85/55/263008555.db2.gz OWZSUNWLPOEFNQ-UHFFFAOYSA-N 1 1 259.378 3.213 20 30 CGEDMO C[C@@H](CCC#N)[NH+]1CCN([C@@H](C)c2ccsc2)CC1 ZINC000276563806 263037321 /nfs/dbraw/zinc/03/73/21/263037321.db2.gz MBKGXYCXIHGHDL-KBPBESRZSA-N 1 1 277.437 3.119 20 30 CGEDMO CO[C@H](C)c1nc(C[NH2+][C@H]2CCC[C@H](C#N)C2)cs1 ZINC000278908080 263051675 /nfs/dbraw/zinc/05/16/75/263051675.db2.gz ZXAIWOJZGGFGEQ-WOPDTQHZSA-N 1 1 279.409 3.022 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000366594613 263067995 /nfs/dbraw/zinc/06/79/95/263067995.db2.gz SQVMTSATKSNIOE-HOTGVXAUSA-N 1 1 267.413 3.003 20 30 CGEDMO CC1=CCC[N@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000281910796 263072949 /nfs/dbraw/zinc/07/29/49/263072949.db2.gz YBYYXISHVBYETC-UHFFFAOYSA-N 1 1 269.392 3.188 20 30 CGEDMO N#CCOc1ccc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)cc1 ZINC000285337061 263092278 /nfs/dbraw/zinc/09/22/78/263092278.db2.gz KHTHIBRNQMLYMW-QGZVFWFLSA-N 1 1 296.374 3.039 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)cc1 ZINC000285337061 263092279 /nfs/dbraw/zinc/09/22/79/263092279.db2.gz KHTHIBRNQMLYMW-QGZVFWFLSA-N 1 1 296.374 3.039 20 30 CGEDMO CSC[C@@H]1CCC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000292491979 263132898 /nfs/dbraw/zinc/13/28/98/263132898.db2.gz TUUQEBYVVQLWCU-OAHLLOKOSA-N 1 1 290.432 3.164 20 30 CGEDMO CC[N@@H+](Cc1ccc(OC)cc1OC)[C@H]1CC[C@@H](C#N)C1 ZINC000298027854 263214279 /nfs/dbraw/zinc/21/42/79/263214279.db2.gz FBUUGIGERABNBP-HIFRSBDPSA-N 1 1 288.391 3.218 20 30 CGEDMO CC(C)[N@@H+](CCCC#N)Cc1ccc(N(C)C)cc1 ZINC000298705128 263224610 /nfs/dbraw/zinc/22/46/10/263224610.db2.gz IMEMRSNASRJUNH-UHFFFAOYSA-N 1 1 259.397 3.267 20 30 CGEDMO CCCCCCCC(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000299084409 263229596 /nfs/dbraw/zinc/22/95/96/263229596.db2.gz MHMGJPGULUBZTG-AWEZNQCLSA-N 1 1 279.428 3.304 20 30 CGEDMO C[C@H]([NH2+]CCC#N)c1ccc(OCC2CC2)c(F)c1 ZINC000299102996 263230486 /nfs/dbraw/zinc/23/04/86/263230486.db2.gz UYJUPIMBFRSQEP-NSHDSACASA-N 1 1 262.328 3.179 20 30 CGEDMO C=CCOc1ccc(C[NH2+][C@@H](CN)C(C)(C)C)cc1Cl ZINC000415061588 263258657 /nfs/dbraw/zinc/25/86/57/263258657.db2.gz YSBPPNIWXIEVQL-HNNXBMFYSA-N 1 1 296.842 3.368 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000340903309 263308897 /nfs/dbraw/zinc/30/88/97/263308897.db2.gz NSFKKCPTROHJOG-GOEBONIOSA-N 1 1 260.381 3.280 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000340905310 263309086 /nfs/dbraw/zinc/30/90/86/263309086.db2.gz YJZLWFPYOIAZBN-AWEZNQCLSA-N 1 1 295.448 3.267 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000340868323 263310305 /nfs/dbraw/zinc/31/03/05/263310305.db2.gz AMCLSTUQPOCSCP-TZMCWYRMSA-N 1 1 262.401 3.037 20 30 CGEDMO C=CCCC[C@@H](C)[N@@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000340868323 263310306 /nfs/dbraw/zinc/31/03/06/263310306.db2.gz AMCLSTUQPOCSCP-TZMCWYRMSA-N 1 1 262.401 3.037 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000340868323 263310308 /nfs/dbraw/zinc/31/03/08/263310308.db2.gz AMCLSTUQPOCSCP-TZMCWYRMSA-N 1 1 262.401 3.037 20 30 CGEDMO C=CCCC[C@@H](C)[N@@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000340868323 263310310 /nfs/dbraw/zinc/31/03/10/263310310.db2.gz AMCLSTUQPOCSCP-TZMCWYRMSA-N 1 1 262.401 3.037 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000340868323 263310312 /nfs/dbraw/zinc/31/03/12/263310312.db2.gz AMCLSTUQPOCSCP-TZMCWYRMSA-N 1 1 262.401 3.037 20 30 CGEDMO C=C1CC[NH+]([C@@H](C)C(=O)NCCC2=CCCCC2)CC1 ZINC000341997862 263373959 /nfs/dbraw/zinc/37/39/59/263373959.db2.gz ISDDIQVWIZVTEM-HNNXBMFYSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C1CC[NH+]([C@@H](CC)C(=O)Nc2ccc(OC)cc2)CC1 ZINC000342013642 263379071 /nfs/dbraw/zinc/37/90/71/263379071.db2.gz UCQZXDIXZBYCFY-INIZCTEOSA-N 1 1 288.391 3.064 20 30 CGEDMO COCC1(C#N)CC[NH+](Cc2cc(Cl)cs2)CC1 ZINC000342837942 263539220 /nfs/dbraw/zinc/53/92/20/263539220.db2.gz NHJPJBPONRLDRT-UHFFFAOYSA-N 1 1 284.812 3.154 20 30 CGEDMO C=C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000428045969 263803092 /nfs/dbraw/zinc/80/30/92/263803092.db2.gz SKJSCJSJVMSDMD-HOTGVXAUSA-N 1 1 290.451 3.208 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000330862457 264056228 /nfs/dbraw/zinc/05/62/28/264056228.db2.gz VUOTYKCYYBXASB-XJKSGUPXSA-N 1 1 267.376 3.270 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)C[C@H](OC)C1CC1 ZINC000425385905 264220979 /nfs/dbraw/zinc/22/09/79/264220979.db2.gz NYYCGGIIRJZNQH-AWEZNQCLSA-N 1 1 251.395 3.161 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000126771528 264225141 /nfs/dbraw/zinc/22/51/41/264225141.db2.gz ZUVYUUOFDKLKAQ-LBPRGKRZSA-N 1 1 296.361 3.040 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](CO)[C@@H]2C)cc1Cl ZINC000425962745 264228182 /nfs/dbraw/zinc/22/81/82/264228182.db2.gz JBZWPDLLGASGSR-JSGCOSHPSA-N 1 1 295.810 3.108 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC000128104135 264274044 /nfs/dbraw/zinc/27/40/44/264274044.db2.gz ANORJMUSISCSGF-SJLPKXTDSA-N 1 1 287.403 3.252 20 30 CGEDMO C[C@H](C1CC1)[N@@H+](CCOc1ccc(C#N)cc1)C1CC1 ZINC000042123298 270031749 /nfs/dbraw/zinc/03/17/49/270031749.db2.gz UIWUNYOWGVXRCO-CYBMUJFWSA-N 1 1 270.376 3.200 20 30 CGEDMO C=CCOc1ccc(CN2CC[N@H+](C)C[C@H]2C(C)C)cc1 ZINC000357201396 266265276 /nfs/dbraw/zinc/26/52/76/266265276.db2.gz GSJYBZJXFOEWKP-SFHVURJKSA-N 1 1 288.435 3.023 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCN(C)C[C@H]2C(C)C)cc1 ZINC000357201396 266265279 /nfs/dbraw/zinc/26/52/79/266265279.db2.gz GSJYBZJXFOEWKP-SFHVURJKSA-N 1 1 288.435 3.023 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCN(C)C[C@H]2C(C)C)cc1 ZINC000357201396 266265281 /nfs/dbraw/zinc/26/52/81/266265281.db2.gz GSJYBZJXFOEWKP-SFHVURJKSA-N 1 1 288.435 3.023 20 30 CGEDMO C=CC[N@H+](CCCOc1ccc(OC)cc1)C1CC1 ZINC000357557041 266322918 /nfs/dbraw/zinc/32/29/18/266322918.db2.gz XQDJGIAVIQGUOD-UHFFFAOYSA-N 1 1 261.365 3.115 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC2(C1)CCCCC2 ZINC000357755576 266355832 /nfs/dbraw/zinc/35/58/32/266355832.db2.gz ATNUMTOKKHTCTN-MRXNPFEDSA-N 1 1 290.451 3.232 20 30 CGEDMO CC[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(C#N)o1 ZINC000185653352 266388466 /nfs/dbraw/zinc/38/84/66/266388466.db2.gz BGUGSJCGHCVNMV-OAHLLOKOSA-N 1 1 266.344 3.488 20 30 CGEDMO C[C@@H](Cc1[nH]cc[nH+]1)OCC#Cc1ccc(Cl)cc1 ZINC000360953951 266760124 /nfs/dbraw/zinc/76/01/24/266760124.db2.gz NMRZOAHJUNLJGM-LBPRGKRZSA-N 1 1 274.751 3.062 20 30 CGEDMO CC[N@@H+](CCCC1(C#N)CCOCC1)CC(C)(C)C ZINC000361527769 266839860 /nfs/dbraw/zinc/83/98/60/266839860.db2.gz JKZCKDAUBBCPJL-UHFFFAOYSA-N 1 1 266.429 3.455 20 30 CGEDMO CCCCC[C@H]1CCC[N@H+]1CC(=O)N(CC)C[C@H](C)C#N ZINC000362943352 267064602 /nfs/dbraw/zinc/06/46/02/267064602.db2.gz XYVMDZKLOIVHDU-CVEARBPZSA-N 1 1 293.455 3.039 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000368538657 267182185 /nfs/dbraw/zinc/18/21/85/267182185.db2.gz MOEDZNUIZBBPRQ-UHFFFAOYSA-N 1 1 269.392 3.403 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000369879203 267273512 /nfs/dbraw/zinc/27/35/12/267273512.db2.gz XWARJLPNZJRFLA-MRXNPFEDSA-N 1 1 267.413 3.003 20 30 CGEDMO N#CC1(C[NH2+]Cc2cc3cc(F)ccc3o2)CCC1 ZINC000418143512 267364909 /nfs/dbraw/zinc/36/49/09/267364909.db2.gz PWUCKGKKGVBMBF-UHFFFAOYSA-N 1 1 258.296 3.355 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)Nc1cccc(C)c1 ZINC000120107009 267381497 /nfs/dbraw/zinc/38/14/97/267381497.db2.gz IAIGVYFNKVZERB-AWEZNQCLSA-N 1 1 260.381 3.220 20 30 CGEDMO C[C@H]1CC(F)(F)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000528769753 270171747 /nfs/dbraw/zinc/17/17/47/270171747.db2.gz SAFBRJIKBBWKRY-JTQLQIEISA-N 1 1 268.282 3.317 20 30 CGEDMO C[C@H]1CC(F)(F)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC000528769753 270171748 /nfs/dbraw/zinc/17/17/48/270171748.db2.gz SAFBRJIKBBWKRY-JTQLQIEISA-N 1 1 268.282 3.317 20 30 CGEDMO CO[C@@]1(C)CCC[N@@H+](CC(C)(C)CCC#N)CC1 ZINC000376011919 267929914 /nfs/dbraw/zinc/92/99/14/267929914.db2.gz BVLZOOPOVKZUQG-HNNXBMFYSA-N 1 1 252.402 3.207 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(CO)cc1 ZINC000305806089 268001020 /nfs/dbraw/zinc/00/10/20/268001020.db2.gz GHXOFXWOYQMOHQ-UHFFFAOYSA-N 1 1 267.372 3.367 20 30 CGEDMO N#CC1(C(=O)Nc2cccc3c2C[N@H+](C2CC2)C3)CCCC1 ZINC000377187095 268053808 /nfs/dbraw/zinc/05/38/08/268053808.db2.gz DIYWEFWTSAKWPU-UHFFFAOYSA-N 1 1 295.386 3.187 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](c3nccs3)C2)c1 ZINC000195346777 268248075 /nfs/dbraw/zinc/24/80/75/268248075.db2.gz UQLPIFFLXXGFGZ-HNNXBMFYSA-N 1 1 283.400 3.394 20 30 CGEDMO C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(F)c(C#N)c1 ZINC000532344324 270215627 /nfs/dbraw/zinc/21/56/27/270215627.db2.gz ZTSVULAPVFBZCQ-CQSZACIVSA-N 1 1 298.361 3.080 20 30 CGEDMO C[C@@H](CN[C@@H]1CCc2ccc(C#N)cc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000353386196 274225250 /nfs/dbraw/zinc/22/52/50/274225250.db2.gz NAHGCFUTJFFMCQ-ZRGWGRIASA-N 1 1 297.446 3.256 20 30 CGEDMO C[C@@H](CN[C@@H]1CCc2ccc(C#N)cc21)[N@H+]1CCC[C@@H](C)C1 ZINC000353386196 274225252 /nfs/dbraw/zinc/22/52/52/274225252.db2.gz NAHGCFUTJFFMCQ-ZRGWGRIASA-N 1 1 297.446 3.256 20 30 CGEDMO C[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)C[C@H](C)[N@@H+]1C ZINC000135267244 274362959 /nfs/dbraw/zinc/36/29/59/274362959.db2.gz GQGMHUGKWDYZFT-PHIMTYICSA-N 1 1 297.324 3.106 20 30 CGEDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ccc(C(F)(F)F)c(C#N)c1 ZINC000443514364 274363026 /nfs/dbraw/zinc/36/30/26/274363026.db2.gz FSQWGRLMBKURPL-GHMZBOCLSA-N 1 1 297.324 3.106 20 30 CGEDMO CN1CC[N@H+](Cc2ccc(C#N)c(F)c2)Cc2ccccc21 ZINC000361714231 277109241 /nfs/dbraw/zinc/10/92/41/277109241.db2.gz OFIRTJVOBRSHPV-UHFFFAOYSA-N 1 1 295.361 3.149 20 30 CGEDMO CN1CC[N@@H+](Cc2ccc(C#N)c(F)c2)Cc2ccccc21 ZINC000361714231 277109242 /nfs/dbraw/zinc/10/92/42/277109242.db2.gz OFIRTJVOBRSHPV-UHFFFAOYSA-N 1 1 295.361 3.149 20 30 CGEDMO CC(C)C[N@H+](Cc1ccon1)Cc1ccc(C#N)cc1 ZINC000351479915 277381567 /nfs/dbraw/zinc/38/15/67/277381567.db2.gz TUQAZMDMASUTAP-UHFFFAOYSA-N 1 1 269.348 3.204 20 30 CGEDMO CC(C)C[N@@H+](Cc1ccon1)Cc1ccc(C#N)cc1 ZINC000351479915 277381569 /nfs/dbraw/zinc/38/15/69/277381569.db2.gz TUQAZMDMASUTAP-UHFFFAOYSA-N 1 1 269.348 3.204 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451705075 278306250 /nfs/dbraw/zinc/30/62/50/278306250.db2.gz LESWJGSMILWKIR-NKGKWGDASA-N 1 1 284.403 3.102 20 30 CGEDMO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353413503 279309733 /nfs/dbraw/zinc/30/97/33/279309733.db2.gz PVSQHVNVQKWBNW-SPYBWZPUSA-N 1 1 297.446 3.256 20 30 CGEDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353413503 279309735 /nfs/dbraw/zinc/30/97/35/279309735.db2.gz PVSQHVNVQKWBNW-SPYBWZPUSA-N 1 1 297.446 3.256 20 30 CGEDMO CC[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)N1CCCC1 ZINC000271960681 280145678 /nfs/dbraw/zinc/14/56/78/280145678.db2.gz UICOPUUAZQYYHL-BBRMVZONSA-N 1 1 289.398 3.222 20 30 CGEDMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1cc(C#N)ccc1OC ZINC000124606258 281106824 /nfs/dbraw/zinc/10/68/24/281106824.db2.gz BLJFYIMPKRNVGC-DOMZBBRYSA-N 1 1 258.365 3.330 20 30 CGEDMO CC1(C)C[N@H+]([C@@H]2CC[C@H](C#N)C2)CC2(CCCC2)O1 ZINC000336440908 281263203 /nfs/dbraw/zinc/26/32/03/281263203.db2.gz BZDLMYFEVGXSLA-UONOGXRCSA-N 1 1 262.397 3.102 20 30 CGEDMO Cc1cnc([C@@H](C)[NH2+]CC#Cc2ccc(F)cc2)s1 ZINC000184980417 281634259 /nfs/dbraw/zinc/63/42/59/281634259.db2.gz ZTJRHWLBRVERCD-GFCCVEGCSA-N 1 1 274.364 3.293 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437435634 533692903 /nfs/dbraw/zinc/69/29/03/533692903.db2.gz WHRJPKZSHWLCBI-LLVKDONJSA-N 1 1 280.318 3.392 20 30 CGEDMO Cc1nc(C(C)C)ccc1C[NH+]1CCC(F)(C#N)CC1 ZINC000339186073 328000328 /nfs/dbraw/zinc/00/03/28/328000328.db2.gz NZMNILQPZOEFNR-UHFFFAOYSA-N 1 1 275.371 3.341 20 30 CGEDMO C=CC[N@H+](CCCc1cncn1C)Cc1ccccc1 ZINC000563355057 328057683 /nfs/dbraw/zinc/05/76/83/328057683.db2.gz LULRNJWLFCCJRA-UHFFFAOYSA-N 1 1 269.392 3.041 20 30 CGEDMO COC[C@@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411265323 328081279 /nfs/dbraw/zinc/08/12/79/328081279.db2.gz IZUCAAMBXJMXFA-OAHLLOKOSA-N 1 1 264.413 3.209 20 30 CGEDMO CC[C@H](C)[N@H+](CCC1(C#N)CCCCC1)CC(=O)OC ZINC000411662507 328097968 /nfs/dbraw/zinc/09/79/68/328097968.db2.gz BJQBXFKFYPZLFN-AWEZNQCLSA-N 1 1 280.412 3.124 20 30 CGEDMO CC[C@H](C)[N@@H+](CCC1(C#N)CCCCC1)CC(=O)OC ZINC000411662507 328097970 /nfs/dbraw/zinc/09/79/70/328097970.db2.gz BJQBXFKFYPZLFN-AWEZNQCLSA-N 1 1 280.412 3.124 20 30 CGEDMO C[N@H+](C[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CC[C@H](C#N)C1 ZINC000278566021 328227462 /nfs/dbraw/zinc/22/74/62/328227462.db2.gz IVRQTLWJBBYKFS-FHWLQOOXSA-N 1 1 297.446 3.133 20 30 CGEDMO C[N@@H+](C[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CC[C@H](C#N)C1 ZINC000278566021 328227463 /nfs/dbraw/zinc/22/74/63/328227463.db2.gz IVRQTLWJBBYKFS-FHWLQOOXSA-N 1 1 297.446 3.133 20 30 CGEDMO C=CCCCCC[N@H+](C)C1CCN(c2cnccn2)CC1 ZINC000366672544 328257994 /nfs/dbraw/zinc/25/79/94/328257994.db2.gz DWCPXQUCLGLVAA-UHFFFAOYSA-N 1 1 288.439 3.124 20 30 CGEDMO C[C@@H]1C[N@@H+](CCC(C)(C)C#N)Cc2ccccc2O1 ZINC000292399173 328269885 /nfs/dbraw/zinc/26/98/85/328269885.db2.gz LCSGVSJGDQRPAL-CYBMUJFWSA-N 1 1 258.365 3.209 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H]1C1CCCC1 ZINC000340552480 328292525 /nfs/dbraw/zinc/29/25/25/328292525.db2.gz GLXTXRDCHMFWEW-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO Cc1cc(SCC[C@@H]2CCC[N@@H+]2C)ccc1C#N ZINC000563535208 322001857 /nfs/dbraw/zinc/00/18/57/322001857.db2.gz QJHJBQOMFDTGOU-AWEZNQCLSA-N 1 1 260.406 3.443 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C1CCC1 ZINC000565047192 322056997 /nfs/dbraw/zinc/05/69/97/322056997.db2.gz OHISDKIALAVZOK-UHFFFAOYSA-N 1 1 273.336 3.229 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C1CCOCC1 ZINC000566040895 322101771 /nfs/dbraw/zinc/10/17/71/322101771.db2.gz GAYHZOHZOSROEN-UHFFFAOYSA-N 1 1 298.308 3.188 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000567811263 322179077 /nfs/dbraw/zinc/17/90/77/322179077.db2.gz ZWMGHCPTOIBEHZ-ZIAGYGMSSA-N 1 1 270.376 3.263 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cn1 ZINC000568763930 322221894 /nfs/dbraw/zinc/22/18/94/322221894.db2.gz KUOIEVDHNVNIDZ-UHFFFAOYSA-N 1 1 290.370 3.236 20 30 CGEDMO CCC[N@@H+](CC)C[C@H](C)Nc1c(C#N)nnc2ccccc21 ZINC000569446434 322247675 /nfs/dbraw/zinc/24/76/75/322247675.db2.gz KHLNRCLQEVYOJL-ZDUSSCGKSA-N 1 1 297.406 3.034 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ncccc1O ZINC000570365803 322271683 /nfs/dbraw/zinc/27/16/83/322271683.db2.gz QXONXPUMVVBRJW-UHFFFAOYSA-N 1 1 281.359 3.069 20 30 CGEDMO C#Cc1ccc(C[NH2+]Cc2oc(CCC)nc2C)cc1 ZINC000292814305 328540303 /nfs/dbraw/zinc/54/03/03/328540303.db2.gz PBQIUGFYXQSVPW-UHFFFAOYSA-N 1 1 268.360 3.207 20 30 CGEDMO C=C(CC)C[NH+]1CCN(c2cccc(F)c2F)CC1 ZINC000557292158 327000262 /nfs/dbraw/zinc/00/02/62/327000262.db2.gz PXTFGUDMXPRJQV-UHFFFAOYSA-N 1 1 266.335 3.053 20 30 CGEDMO N#CCSCCC[N@H+]1CCC[C@H]1c1ccccc1 ZINC000074980511 327122358 /nfs/dbraw/zinc/12/23/58/327122358.db2.gz XXWAWCUTJAXQDP-HNNXBMFYSA-N 1 1 260.406 3.470 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000181310907 327208133 /nfs/dbraw/zinc/20/81/33/327208133.db2.gz STNPJMGRRLOFND-GFCCVEGCSA-N 1 1 280.799 3.025 20 30 CGEDMO C=CC[NH+](CC=C)[C@H](CNCc1occc1C)C(C)C ZINC000531006019 327213214 /nfs/dbraw/zinc/21/32/14/327213214.db2.gz MLWDZRXRKRMVDY-MRXNPFEDSA-N 1 1 276.424 3.376 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)CCCO1 ZINC000559496874 327249026 /nfs/dbraw/zinc/24/90/26/327249026.db2.gz HGWZFTPYSJALCB-KRWDZBQOSA-N 1 1 291.822 3.438 20 30 CGEDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)CCC(C)(C)C#N ZINC000119733407 327261829 /nfs/dbraw/zinc/26/18/29/327261829.db2.gz SPJCOTZULQVDSV-CYBMUJFWSA-N 1 1 260.381 3.195 20 30 CGEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1ccc(OC)cc1 ZINC000150892175 327396083 /nfs/dbraw/zinc/39/60/83/327396083.db2.gz YHQZMCJIQNMQLS-UHFFFAOYSA-N 1 1 290.407 3.312 20 30 CGEDMO CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000125870842 327396248 /nfs/dbraw/zinc/39/62/48/327396248.db2.gz SWBKGBPFKBMPIA-JKSUJKDBSA-N 1 1 299.418 3.054 20 30 CGEDMO C=C[C@@H](C)NC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000362705645 328929450 /nfs/dbraw/zinc/92/94/50/328929450.db2.gz XLSGFCDYFMVBMY-CHWSQXEVSA-N 1 1 298.390 3.115 20 30 CGEDMO C=CCCCCCCNC(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000377005749 329008994 /nfs/dbraw/zinc/00/89/94/329008994.db2.gz GDRZIDQTNUWRHC-INIZCTEOSA-N 1 1 293.455 3.003 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000377775877 329029003 /nfs/dbraw/zinc/02/90/03/329029003.db2.gz IDUYWQNMBGFPPY-GJZGRUSLSA-N 1 1 276.424 3.350 20 30 CGEDMO C[C@@]1(c2ccccc2)CC[N@@H+](CCCSCC#N)C1 ZINC000378126065 329040684 /nfs/dbraw/zinc/04/06/84/329040684.db2.gz LIWJMVRBCYDEJH-MRXNPFEDSA-N 1 1 274.433 3.297 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000173988542 329153718 /nfs/dbraw/zinc/15/37/18/329153718.db2.gz KAQZBGPGAAAYQS-QGZVFWFLSA-N 1 1 259.393 3.491 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C[C@H]1CCOC1 ZINC000177372869 329186050 /nfs/dbraw/zinc/18/60/50/329186050.db2.gz SMQGQBZTLRCGKN-CQSZACIVSA-N 1 1 297.320 3.025 20 30 CGEDMO C#CCOc1ccc(C[N@H+](C)Cc2cnc(C)s2)cc1 ZINC000179382791 329207117 /nfs/dbraw/zinc/20/71/17/329207117.db2.gz XBTOJEXWPXMBHL-UHFFFAOYSA-N 1 1 286.400 3.096 20 30 CGEDMO C#CCOc1ccc(C[N@@H+](C)Cc2cnc(C)s2)cc1 ZINC000179382791 329207119 /nfs/dbraw/zinc/20/71/19/329207119.db2.gz XBTOJEXWPXMBHL-UHFFFAOYSA-N 1 1 286.400 3.096 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cnc2ccc(Br)cn12 ZINC000181043699 329225204 /nfs/dbraw/zinc/22/52/04/329225204.db2.gz OSDKALFFSSDZND-UHFFFAOYSA-N 1 1 294.196 3.105 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000181260884 329228378 /nfs/dbraw/zinc/22/83/78/329228378.db2.gz JPNKJXRDIQDBBS-NSHDSACASA-N 1 1 298.333 3.123 20 30 CGEDMO N#CCSCCC[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000185326114 329272864 /nfs/dbraw/zinc/27/28/64/329272864.db2.gz RJJWETPTWUGBSK-LBPRGKRZSA-N 1 1 296.386 3.401 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@@H](c3ccncc3)C2)ccc1F ZINC000584389038 329324320 /nfs/dbraw/zinc/32/43/20/329324320.db2.gz FGQPYYFWYWGPFS-OAHLLOKOSA-N 1 1 281.334 3.082 20 30 CGEDMO C=C(C)[C@@H]([NH2+][C@H](C)C(=O)NCCC)c1ccc(F)c(F)c1 ZINC000187762938 329360429 /nfs/dbraw/zinc/36/04/29/329360429.db2.gz MLGKDDKVBUQBJL-IAQYHMDHSA-N 1 1 296.361 3.086 20 30 CGEDMO COC1CCC([N@@H+](C)CC#Cc2ccc(F)cc2)CC1 ZINC000269572024 330069956 /nfs/dbraw/zinc/06/99/56/330069956.db2.gz YETFARBDXULUJF-UHFFFAOYSA-N 1 1 275.367 3.067 20 30 CGEDMO C=CC[N@H+](CCc1ccccn1)Cc1ccccc1F ZINC000079899961 330071591 /nfs/dbraw/zinc/07/15/91/330071591.db2.gz JHAQHTXABBPMQW-UHFFFAOYSA-N 1 1 270.351 3.451 20 30 CGEDMO C=CCn1cc(C[NH2+][C@@H]2CC[C@H](C)c3ccccc32)nn1 ZINC000424292327 330335103 /nfs/dbraw/zinc/33/51/03/330335103.db2.gz GLRCVRAOEWFUJF-SUMWQHHRSA-N 1 1 282.391 3.192 20 30 CGEDMO C=CCn1cc(C[NH2+][C@H](C)c2ccc(SC)cc2)nn1 ZINC000424296335 330336160 /nfs/dbraw/zinc/33/61/60/330336160.db2.gz OEPPZZSZXMPEPW-GFCCVEGCSA-N 1 1 288.420 3.037 20 30 CGEDMO C=CCN(C)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000119367958 330373541 /nfs/dbraw/zinc/37/35/41/330373541.db2.gz OQGMNSFANUJWSV-ZDUSSCGKSA-N 1 1 298.390 3.069 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000120137105 330385369 /nfs/dbraw/zinc/38/53/69/330385369.db2.gz PGDCEWONMOLSMY-WMZOPIPTSA-N 1 1 298.430 3.065 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@@H](N2CCCCC2)C1 ZINC000537038183 330393302 /nfs/dbraw/zinc/39/33/02/330393302.db2.gz WHCXJZQXRPPWCT-HZPDHXFCSA-N 1 1 250.430 3.291 20 30 CGEDMO C=CCCC[C@@H](C)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000537038183 330393303 /nfs/dbraw/zinc/39/33/03/330393303.db2.gz WHCXJZQXRPPWCT-HZPDHXFCSA-N 1 1 250.430 3.291 20 30 CGEDMO CCCCN1CCC([NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000449102620 330899227 /nfs/dbraw/zinc/89/92/27/330899227.db2.gz ZVTIGAWUZQDNCP-UHFFFAOYSA-N 1 1 277.456 3.313 20 30 CGEDMO C=CCC[C@@H]([NH2+][C@H](C)C1CCSCC1)C(=O)OCC ZINC000449654619 330942141 /nfs/dbraw/zinc/94/21/41/330942141.db2.gz FEFULEDMABGZPX-TZMCWYRMSA-N 1 1 285.453 3.006 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCN(C2CC2)C[C@@H](C)C1 ZINC000451089893 331015437 /nfs/dbraw/zinc/01/54/37/331015437.db2.gz FTUPQYIPNWLDIK-LSDHHAIUSA-N 1 1 250.430 3.147 20 30 CGEDMO C[C@@H]1CN(Cc2ccccc2)CC[N@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000451705268 331039704 /nfs/dbraw/zinc/03/97/04/331039704.db2.gz IEKDCLDEBGYELP-QRQLOZEOSA-N 1 1 297.446 3.133 20 30 CGEDMO C[C@H]1CN([C@H]2CC[C@@H](C#N)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000451705268 331039705 /nfs/dbraw/zinc/03/97/05/331039705.db2.gz IEKDCLDEBGYELP-QRQLOZEOSA-N 1 1 297.446 3.133 20 30 CGEDMO C[C@H]1CN([C@H]2CC[C@@H](C#N)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000451705268 331039706 /nfs/dbraw/zinc/03/97/06/331039706.db2.gz IEKDCLDEBGYELP-QRQLOZEOSA-N 1 1 297.446 3.133 20 30 CGEDMO CO[C@H]1C[C@H]([N@@H+](C)CCCC(C)(C)C#N)C12CCC2 ZINC000451839616 331044327 /nfs/dbraw/zinc/04/43/27/331044327.db2.gz DFZXDNRGFSJHDW-KBPBESRZSA-N 1 1 264.413 3.206 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC3(CCC3)[C@@H]2c2ccco2)C1 ZINC000451855889 331044898 /nfs/dbraw/zinc/04/48/98/331044898.db2.gz OXLRMWXWONHUPX-IPYPFGDCSA-N 1 1 256.349 3.499 20 30 CGEDMO N#CCCC[N@@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000451879532 331046133 /nfs/dbraw/zinc/04/61/33/331046133.db2.gz RMXWNVOTRGRUCD-HNNXBMFYSA-N 1 1 268.364 3.394 20 30 CGEDMO N#CCCC[N@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000451879532 331046134 /nfs/dbraw/zinc/04/61/34/331046134.db2.gz RMXWNVOTRGRUCD-HNNXBMFYSA-N 1 1 268.364 3.394 20 30 CGEDMO C=CCOCCC[N@H+](C)[C@H]1C[C@H](c2cccc(OC)c2)C1 ZINC000452024551 331050847 /nfs/dbraw/zinc/05/08/47/331050847.db2.gz YJGWYGIIRXIVBR-QAQDUYKDSA-N 1 1 289.419 3.466 20 30 CGEDMO C=CCC1(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)CCCC1 ZINC000453353097 331121090 /nfs/dbraw/zinc/12/10/90/331121090.db2.gz HJAMOIRETBVLFM-OWCLPIDISA-N 1 1 264.457 3.441 20 30 CGEDMO CC#CCC[N@@H+]1CC=C(c2cccc(OC)c2)CC1 ZINC000462324901 331319706 /nfs/dbraw/zinc/31/97/06/331319706.db2.gz LRQOHTMBAQYMTE-UHFFFAOYSA-N 1 1 255.361 3.198 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000489439059 332052432 /nfs/dbraw/zinc/05/24/32/332052432.db2.gz NGWXZEOVPXPOIX-BZUAXINKSA-N 1 1 278.440 3.064 20 30 CGEDMO C#CC[N@@H+](Cc1cncc(F)c1)[C@H]1CCc2ccccc21 ZINC000491644711 332262789 /nfs/dbraw/zinc/26/27/89/332262789.db2.gz LBGPYOUNYGCWPP-SFHVURJKSA-N 1 1 280.346 3.343 20 30 CGEDMO C#CC[N@H+](Cc1cncc(F)c1)[C@H]1CCc2ccccc21 ZINC000491644711 332262791 /nfs/dbraw/zinc/26/27/91/332262791.db2.gz LBGPYOUNYGCWPP-SFHVURJKSA-N 1 1 280.346 3.343 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccccc1OCc1ccccn1 ZINC000491672784 332279370 /nfs/dbraw/zinc/27/93/70/332279370.db2.gz UZPBLHIOXZNVIS-OAHLLOKOSA-N 1 1 280.371 3.114 20 30 CGEDMO C#C[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccc(Cl)cc1 ZINC000491740888 332319886 /nfs/dbraw/zinc/31/98/86/332319886.db2.gz VHBUCGOKOBEFDU-INIZCTEOSA-N 1 1 283.762 3.014 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000247403688 334280403 /nfs/dbraw/zinc/28/04/03/334280403.db2.gz MGDIHZQGFRMZNQ-DOTOQJQBSA-N 1 1 277.383 3.017 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cnc2ccc(Cl)cn12 ZINC000505853543 332754833 /nfs/dbraw/zinc/75/48/33/332754833.db2.gz OUHACJKMOSDOCU-UHFFFAOYSA-N 1 1 261.756 3.162 20 30 CGEDMO C#CC[N@H+](Cc1nnc(-c2ccccc2)o1)C1CCCC1 ZINC000176387784 333041530 /nfs/dbraw/zinc/04/15/30/333041530.db2.gz JJZXJSXXRGCFSG-UHFFFAOYSA-N 1 1 281.359 3.114 20 30 CGEDMO C#CC[N@@H+](Cc1nnc(-c2ccccc2)o1)C1CCCC1 ZINC000176387784 333041532 /nfs/dbraw/zinc/04/15/32/333041532.db2.gz JJZXJSXXRGCFSG-UHFFFAOYSA-N 1 1 281.359 3.114 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000309973336 333051913 /nfs/dbraw/zinc/05/19/13/333051913.db2.gz PDQSNPZFMTVGDU-RBUKOAKNSA-N 1 1 284.447 3.407 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000309973336 333051914 /nfs/dbraw/zinc/05/19/14/333051914.db2.gz PDQSNPZFMTVGDU-RBUKOAKNSA-N 1 1 284.447 3.407 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000309980508 333052220 /nfs/dbraw/zinc/05/22/20/333052220.db2.gz URLYCHYBZKQBOC-QZTJIDSGSA-N 1 1 270.420 3.016 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000309980508 333052223 /nfs/dbraw/zinc/05/22/23/333052223.db2.gz URLYCHYBZKQBOC-QZTJIDSGSA-N 1 1 270.420 3.016 20 30 CGEDMO C=C1CC[NH+](CC(=O)N[C@H](C)c2ccc(C)c(C)c2)CC1 ZINC000520849801 333106846 /nfs/dbraw/zinc/10/68/46/333106846.db2.gz VPAFSAIJOOVIFO-MRXNPFEDSA-N 1 1 286.419 3.133 20 30 CGEDMO CC(C)OC(=O)C[C@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000185584640 333144240 /nfs/dbraw/zinc/14/42/40/333144240.db2.gz LAYZVIPYSAGNGV-OAHLLOKOSA-N 1 1 294.439 3.370 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000186030993 333153790 /nfs/dbraw/zinc/15/37/90/333153790.db2.gz PJOJXJASTMQYQG-HRCADAONSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCCCC[N@H+]1CCN(CC(F)F)[C@@H](CC)C1 ZINC000193459447 333250500 /nfs/dbraw/zinc/25/05/00/333250500.db2.gz STCNOCRMIVQPKG-AWEZNQCLSA-N 1 1 274.399 3.394 20 30 CGEDMO CC(C)(C#N)CCCC[N@@H+]1CC[C@H](N2CCCCC2)C1 ZINC000232531762 333338111 /nfs/dbraw/zinc/33/81/11/333338111.db2.gz VFTSHZAWIKQRLN-INIZCTEOSA-N 1 1 277.456 3.267 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@H](N2CCCCC2)C1 ZINC000232531762 333338112 /nfs/dbraw/zinc/33/81/12/333338112.db2.gz VFTSHZAWIKQRLN-INIZCTEOSA-N 1 1 277.456 3.267 20 30 CGEDMO N#CCSCCC[N@H+](CCc1cccc(F)c1)C1CC1 ZINC000074990951 334022324 /nfs/dbraw/zinc/02/23/24/334022324.db2.gz UKUHNDHLOPBQON-UHFFFAOYSA-N 1 1 292.423 3.479 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000134004921 334077066 /nfs/dbraw/zinc/07/70/66/334077066.db2.gz BQVJAPHVAVIKLD-UONOGXRCSA-N 1 1 282.428 3.188 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000135136659 334117184 /nfs/dbraw/zinc/11/71/84/334117184.db2.gz AQCIDMPMOMMPBC-WBVHZDCISA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCOCC[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000549446632 334194350 /nfs/dbraw/zinc/19/43/50/334194350.db2.gz WEOCRSHVQOMRDU-ZFWWWQNUSA-N 1 1 263.356 3.206 20 30 CGEDMO N#CCCOCC[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000549864708 334207481 /nfs/dbraw/zinc/20/74/81/334207481.db2.gz GZAWUKFAHYXQRL-CQSZACIVSA-N 1 1 264.756 3.017 20 30 CGEDMO N#CCCOCC[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000549864708 334207483 /nfs/dbraw/zinc/20/74/83/334207483.db2.gz GZAWUKFAHYXQRL-CQSZACIVSA-N 1 1 264.756 3.017 20 30 CGEDMO CC[N@H+](C[C@H](C)c1ccc(OC)cc1)C[C@H](C)C#N ZINC000245868937 334222256 /nfs/dbraw/zinc/22/22/56/334222256.db2.gz RBAYSMMNJSONQP-KGLIPLIRSA-N 1 1 260.381 3.280 20 30 CGEDMO CC#CCC[N@@H+]1CCc2ccc(Br)cc2C1 ZINC000551748660 334259769 /nfs/dbraw/zinc/25/97/69/334259769.db2.gz ZIEGNQUMKVTCRB-UHFFFAOYSA-N 1 1 278.193 3.221 20 30 CGEDMO CC#CCC[N@H+]1CCc2ccc(Br)cc2C1 ZINC000551748660 334259771 /nfs/dbraw/zinc/25/97/71/334259771.db2.gz ZIEGNQUMKVTCRB-UHFFFAOYSA-N 1 1 278.193 3.221 20 30 CGEDMO C[C@H](C#N)C[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000183820353 335907377 /nfs/dbraw/zinc/90/73/77/335907377.db2.gz CRKRXFVBKHCYNB-LLVKDONJSA-N 1 1 257.362 3.059 20 30 CGEDMO C=CCOCCC[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000581754826 336142397 /nfs/dbraw/zinc/14/23/97/336142397.db2.gz HMWHPCFGBOYUHY-GOSISDBHSA-N 1 1 287.403 3.049 20 30 CGEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc(C#N)nc2)C1 ZINC000359506015 534110902 /nfs/dbraw/zinc/11/09/02/534110902.db2.gz IEPQMEBBDQFUKS-KSSFIOAISA-N 1 1 292.386 3.201 20 30 CGEDMO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000437832003 534232843 /nfs/dbraw/zinc/23/28/43/534232843.db2.gz DZWNEHUHQKAPIQ-WDEREUQCSA-N 1 1 280.318 3.390 20 30 CGEDMO CCOc1ccc(O)c(C[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC000130781665 521142179 /nfs/dbraw/zinc/14/21/79/521142179.db2.gz RMGFHFJOALZZID-UHFFFAOYSA-N 1 1 296.370 3.295 20 30 CGEDMO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCCC[C@H]2N)CC1 ZINC000333368086 534577470 /nfs/dbraw/zinc/57/74/70/534577470.db2.gz FCGWLLOCAAMWBN-QGLXBCBXSA-N 1 1 297.446 3.250 20 30 CGEDMO C[C@@H]([N@@H+](C)CCOc1ccc(C#N)cc1)C(C)(C)C ZINC000055481891 524981964 /nfs/dbraw/zinc/98/19/64/524981964.db2.gz IYIATHRIUTWUNA-CYBMUJFWSA-N 1 1 260.381 3.303 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)n1 ZINC000356095203 534828826 /nfs/dbraw/zinc/82/88/26/534828826.db2.gz XQWMFASQZPOQCN-CQSZACIVSA-N 1 1 283.400 3.079 20 30 CGEDMO N#Cc1csc(C[N@H+]2CC[C@H](Cc3ccccc3)C2)n1 ZINC000356095203 534828832 /nfs/dbraw/zinc/82/88/32/534828832.db2.gz XQWMFASQZPOQCN-CQSZACIVSA-N 1 1 283.400 3.079 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@@H]1CCC(C)(C)O1 ZINC000352802996 526558752 /nfs/dbraw/zinc/55/87/52/526558752.db2.gz XKIRETXCRUYQPM-HNNXBMFYSA-N 1 1 293.407 3.108 20 30 CGEDMO C=CCOCCC[N@H+](CC)CCc1cccs1 ZINC000347972403 526747746 /nfs/dbraw/zinc/74/77/46/526747746.db2.gz PZSJVJYYJBAASC-UHFFFAOYSA-N 1 1 253.411 3.205 20 30 CGEDMO C=CCOCCC[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000348038475 526754355 /nfs/dbraw/zinc/75/43/55/526754355.db2.gz SMDYGNMCLWXJAV-MRXNPFEDSA-N 1 1 299.418 3.093 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](CC)C2)c1 ZINC000352727844 526901528 /nfs/dbraw/zinc/90/15/28/526901528.db2.gz ZYJSMLZLQQVCRL-ZBFHGGJFSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](CC)C2)c1 ZINC000352727844 526901534 /nfs/dbraw/zinc/90/15/34/526901534.db2.gz ZYJSMLZLQQVCRL-ZBFHGGJFSA-N 1 1 275.392 3.251 20 30 CGEDMO CC(C)(CCC#N)C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000192931989 526998760 /nfs/dbraw/zinc/99/87/60/526998760.db2.gz JGANAAARESPBBJ-GOSISDBHSA-N 1 1 299.462 3.428 20 30 CGEDMO C=CCC1(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)CCCC1 ZINC000336194145 527040079 /nfs/dbraw/zinc/04/00/79/527040079.db2.gz AOBFNVNIQFMWCI-UHFFFAOYSA-N 1 1 290.451 3.210 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCOc2cc(O)ccc2C1 ZINC000353151604 527274986 /nfs/dbraw/zinc/27/49/86/527274986.db2.gz FVKXRNQRKAMIQG-ZDUSSCGKSA-N 1 1 261.365 3.331 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000352830444 527326845 /nfs/dbraw/zinc/32/68/45/527326845.db2.gz KBHVJRMUNWBVOD-GOSISDBHSA-N 1 1 270.420 3.161 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000352830444 527326854 /nfs/dbraw/zinc/32/68/54/527326854.db2.gz KBHVJRMUNWBVOD-GOSISDBHSA-N 1 1 270.420 3.161 20 30 CGEDMO C=CCC[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccco1 ZINC000353533968 527488694 /nfs/dbraw/zinc/48/86/94/527488694.db2.gz YKVNZIPDBIWYRH-ILXRZTDVSA-N 1 1 262.397 3.359 20 30 CGEDMO C=CCC[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1ccco1 ZINC000353533968 527488700 /nfs/dbraw/zinc/48/87/00/527488700.db2.gz YKVNZIPDBIWYRH-ILXRZTDVSA-N 1 1 262.397 3.359 20 30 CGEDMO C=C[C@H](C)[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000344363057 527569608 /nfs/dbraw/zinc/56/96/08/527569608.db2.gz SPNDIQZKRSUHCJ-VIFPVBQESA-N 1 1 297.189 3.238 20 30 CGEDMO CCC[N@@H+](CC)C[C@H](C)Nc1ncc(C#N)cc1Cl ZINC000357812624 528000327 /nfs/dbraw/zinc/00/03/27/528000327.db2.gz RRHFRKLWLNNGAT-NSHDSACASA-N 1 1 280.803 3.139 20 30 CGEDMO CC[N@H+](CCc1ccccc1)Cc1nc(C#N)cs1 ZINC000356062123 528591371 /nfs/dbraw/zinc/59/13/71/528591371.db2.gz KFGDZLVMJJJGME-UHFFFAOYSA-N 1 1 271.389 3.079 20 30 CGEDMO CC[N@@H+](CCc1ccccc1)Cc1nc(C#N)cs1 ZINC000356062123 528591373 /nfs/dbraw/zinc/59/13/73/528591373.db2.gz KFGDZLVMJJJGME-UHFFFAOYSA-N 1 1 271.389 3.079 20 30 CGEDMO CCC(CC)[N@@H+](CCOC)Cc1cc(F)ccc1C#N ZINC000159707234 528778855 /nfs/dbraw/zinc/77/88/55/528778855.db2.gz KTYWOHWVMKKSEA-UHFFFAOYSA-N 1 1 278.371 3.334 20 30 CGEDMO CC[C@@H](C)C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000088495367 535513149 /nfs/dbraw/zinc/51/31/49/535513149.db2.gz GQRGHGQXSPAUCA-OAHLLOKOSA-N 1 1 271.408 3.116 20 30 CGEDMO CCO[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@@H]1C ZINC000451527377 535631017 /nfs/dbraw/zinc/63/10/17/535631017.db2.gz HIDYIVRJOSNRHF-LRDDRELGSA-N 1 1 292.810 3.459 20 30 CGEDMO CC[C@]1(C)CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459357081 535910631 /nfs/dbraw/zinc/91/06/31/535910631.db2.gz DARCXDHRNQZEMI-OAHLLOKOSA-N 1 1 273.336 3.088 20 30 CGEDMO CC[C@]1(C)CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459357081 535910633 /nfs/dbraw/zinc/91/06/33/535910633.db2.gz DARCXDHRNQZEMI-OAHLLOKOSA-N 1 1 273.336 3.088 20 30 CGEDMO CCC[N@@H+](Cn1ccc(-c2ccc(C#N)cc2)n1)C1CC1 ZINC000728902750 571846711 /nfs/dbraw/zinc/84/67/11/571846711.db2.gz OKSOUIORSZSHCV-UHFFFAOYSA-N 1 1 280.375 3.254 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+](C)Cc1ccccc1 ZINC000730260635 572333944 /nfs/dbraw/zinc/33/39/44/572333944.db2.gz KNNDJZXDHDIPTA-UHFFFAOYSA-N 1 1 265.356 3.331 20 30 CGEDMO CCCCCCCC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000737744404 572394296 /nfs/dbraw/zinc/39/42/96/572394296.db2.gz XUZVZVAYEUKDNM-OAHLLOKOSA-N 1 1 268.445 3.146 20 30 CGEDMO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(OCC#N)cc2)no1 ZINC000731210194 572401043 /nfs/dbraw/zinc/40/10/43/572401043.db2.gz CBSUZXVODBNABT-QGZVFWFLSA-N 1 1 297.358 3.223 20 30 CGEDMO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(OCC#N)cc2)no1 ZINC000731210194 572401050 /nfs/dbraw/zinc/40/10/50/572401050.db2.gz CBSUZXVODBNABT-QGZVFWFLSA-N 1 1 297.358 3.223 20 30 CGEDMO C=CCN(C(=O)NC[C@H]1CCCC[N@@H+]1CCCC)C(C)C ZINC000731283272 572405779 /nfs/dbraw/zinc/40/57/79/572405779.db2.gz GWKPIHCUHRTOPA-MRXNPFEDSA-N 1 1 295.471 3.247 20 30 CGEDMO N#CCC[NH+](CCC#N)Cn1ccc(=S)c2ccccc21 ZINC000731659001 572420984 /nfs/dbraw/zinc/42/09/84/572420984.db2.gz WORREFDNAYPKDU-UHFFFAOYSA-N 1 1 296.399 3.458 20 30 CGEDMO CCCCCC[N@@H+](C)CC(=O)Nc1cc(C#N)ccc1C ZINC000732279511 572458410 /nfs/dbraw/zinc/45/84/10/572458410.db2.gz SAQLQYIUASLLAH-UHFFFAOYSA-N 1 1 287.407 3.317 20 30 CGEDMO CCCCCCCCC(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000741625769 572514435 /nfs/dbraw/zinc/51/44/35/572514435.db2.gz SAPLPISZWTWACF-HNNXBMFYSA-N 1 1 268.445 3.290 20 30 CGEDMO CC[N@@H+](CC(C)C)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000744140312 572712679 /nfs/dbraw/zinc/71/26/79/572712679.db2.gz UVRRMEQVAONQJD-UHFFFAOYSA-N 1 1 282.391 3.357 20 30 CGEDMO C=CCCC[N@H+](CC)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000735413383 572717822 /nfs/dbraw/zinc/71/78/22/572717822.db2.gz SXTUMVIOUITPIV-ZDUSSCGKSA-N 1 1 285.395 3.216 20 30 CGEDMO C#CC[N@@H+](CCc1cccs1)Cc1ccccc1 ZINC000746167333 572858859 /nfs/dbraw/zinc/85/88/59/572858859.db2.gz FNNRJBQQKUMOLQ-UHFFFAOYSA-N 1 1 255.386 3.426 20 30 CGEDMO C#CC[N@@H+](CC)[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000746456902 572871549 /nfs/dbraw/zinc/87/15/49/572871549.db2.gz RFKOUCLRLCGYFG-JTQLQIEISA-N 1 1 299.201 3.276 20 30 CGEDMO C#CC[N@H+](CC)[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000746456902 572871551 /nfs/dbraw/zinc/87/15/51/572871551.db2.gz RFKOUCLRLCGYFG-JTQLQIEISA-N 1 1 299.201 3.276 20 30 CGEDMO CC[N@@H+](C/C=C(\C)C(=O)OC)[C@H](C)c1ccc(C#N)cc1 ZINC000746503487 572875111 /nfs/dbraw/zinc/87/51/11/572875111.db2.gz SHMYMHBGIJNIST-JWAFFJSPSA-N 1 1 286.375 3.060 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000746676280 572891577 /nfs/dbraw/zinc/89/15/77/572891577.db2.gz JMUNJFRZDSVMHM-OAHLLOKOSA-N 1 1 263.429 3.255 20 30 CGEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)CN=Nc1cccnn1 ZINC000747631907 572938267 /nfs/dbraw/zinc/93/82/67/572938267.db2.gz CFFQTKOERPTBAZ-UHFFFAOYSA-N 1 1 297.406 3.033 20 30 CGEDMO CCCCCCCCCC(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000748346908 572974428 /nfs/dbraw/zinc/97/44/28/572974428.db2.gz SNTBAOXCDLDJDK-HNNXBMFYSA-N 1 1 268.445 3.290 20 30 CGEDMO CCCCCCCCCC(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000748346908 572974430 /nfs/dbraw/zinc/97/44/30/572974430.db2.gz SNTBAOXCDLDJDK-HNNXBMFYSA-N 1 1 268.445 3.290 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccc(Br)c(F)c1 ZINC000749155350 572990051 /nfs/dbraw/zinc/99/00/51/572990051.db2.gz OTWMJDRGUYBFRP-UHFFFAOYSA-N 1 1 270.145 3.043 20 30 CGEDMO C=CCCCCC[N@H+](C)CN1C(=O)[C@H]2CCCCC[C@H]21 ZINC000749955933 573068052 /nfs/dbraw/zinc/06/80/52/573068052.db2.gz VJRXZDPAUSTUPC-JKSUJKDBSA-N 1 1 278.440 3.413 20 30 CGEDMO Cc1sc(C[NH2+]CC(C)(C)C#N)cc1Br ZINC000227854886 623033270 /nfs/dbraw/zinc/03/32/70/623033270.db2.gz PXZPHFSCCRYFJB-UHFFFAOYSA-N 1 1 287.226 3.458 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[NH+](CC2=CCCCC2)CC1 ZINC000949635886 613241001 /nfs/dbraw/zinc/24/10/01/613241001.db2.gz WRYQHXARYSCEDL-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)CC[NH+]1CC(N(CC)C(=O)c2ccc(Cl)o2)C1 ZINC000949682030 613246235 /nfs/dbraw/zinc/24/62/35/613246235.db2.gz WGAFSYFQPZPWQD-UHFFFAOYSA-N 1 1 296.798 3.046 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)C[C@@H]2CCC[C@@H]2C)CC1 ZINC000981226223 613252262 /nfs/dbraw/zinc/25/22/62/613252262.db2.gz AVFGKWACIGOJEW-IRXDYDNUSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@]2(C)C(C)C)CC1 ZINC000983430863 613253598 /nfs/dbraw/zinc/25/35/98/613253598.db2.gz RHBRTGROEOHSCU-FUHWJXTLSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)[C@]23C[C@H]2CCCC3)CC1 ZINC000981915030 613254244 /nfs/dbraw/zinc/25/42/44/613254244.db2.gz CDFFZMHELCPORP-SJLPKXTDSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)c2cc(C)cs2)CC1 ZINC000981108127 613254712 /nfs/dbraw/zinc/25/47/12/613254712.db2.gz HEEAHMBQOSDDBH-UHFFFAOYSA-N 1 1 292.448 3.171 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)c2ccoc2Cl)CC1 ZINC000981042720 613255359 /nfs/dbraw/zinc/25/53/59/613255359.db2.gz TXATXSCNTOMQOY-UHFFFAOYSA-N 1 1 296.798 3.047 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)C2(C)CCC2)CC1 ZINC000948675892 613256561 /nfs/dbraw/zinc/25/65/61/613256561.db2.gz PQYMYNUBSNLSQY-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C(C)(C)C2CC2)C1 ZINC000967917339 613269431 /nfs/dbraw/zinc/26/94/31/613269431.db2.gz GSUFLOOKMLZKGT-GOEBONIOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@@]2(C)C=CCC2)C(C)(C)C1 ZINC000974966072 613277402 /nfs/dbraw/zinc/27/74/02/613277402.db2.gz VRRBNYONCMTBKK-YJBOKZPZSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)CC2(C)CCCC2)C1 ZINC000971466386 613282999 /nfs/dbraw/zinc/28/29/99/613282999.db2.gz UQESZJGUQQPCPT-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC000971591733 613284725 /nfs/dbraw/zinc/28/47/25/613284725.db2.gz JEYMKICYKNMOJC-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000972773766 613291135 /nfs/dbraw/zinc/29/11/35/613291135.db2.gz KTENGCQLGCBLNH-HNNXBMFYSA-N 1 1 292.810 3.062 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2ccc(C)cc2C)C1 ZINC000980305955 613291155 /nfs/dbraw/zinc/29/11/55/613291155.db2.gz XVKXGSUDXMAUDF-INIZCTEOSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2cccc(C3CC3)c2)C1 ZINC000980499463 613291670 /nfs/dbraw/zinc/29/16/70/613291670.db2.gz AWRSXBWXGLTWLD-SFHVURJKSA-N 1 1 298.430 3.286 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC23CCC3)CC1 ZINC000948816901 613314780 /nfs/dbraw/zinc/31/47/80/613314780.db2.gz PKLUJAGOCFGMSB-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC(C)C)C1 ZINC000963244097 613315626 /nfs/dbraw/zinc/31/56/26/613315626.db2.gz LJTUXTANWYBQJA-IRXDYDNUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2CCC(=C)CC2)C[C@H]1C ZINC000947686005 613327265 /nfs/dbraw/zinc/32/72/65/613327265.db2.gz RRMHDDBYKKWWMO-NVXWUHKLSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)CC2CCCC2)C(C)(C)C1 ZINC000940547668 613327745 /nfs/dbraw/zinc/32/77/45/613327745.db2.gz HDOSNBSPAKXWCX-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C2CCCCCC2)[C@@H](C)C1 ZINC000941869216 613335031 /nfs/dbraw/zinc/33/50/31/613335031.db2.gz HLYNAXNNDZZNDN-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C[C@@H]1C ZINC000947949636 613335639 /nfs/dbraw/zinc/33/56/39/613335639.db2.gz YLSLQUGGVIOVOY-QAETUUGQSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2csc(C)c2)[C@@H](C)C1 ZINC000943644915 613337138 /nfs/dbraw/zinc/33/71/38/613337138.db2.gz BGFDVMJLLRXCKI-WFASDCNBSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2occc2Cl)C[C@@H]1C ZINC000947683398 613337418 /nfs/dbraw/zinc/33/74/18/613337418.db2.gz AHDBBYCENMGWTP-RYUDHWBXSA-N 1 1 296.798 3.092 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)c2ccccc2C)C(C)(C)C1 ZINC000972774017 613342211 /nfs/dbraw/zinc/34/22/11/613342211.db2.gz LLESWOAVGMOIMP-INIZCTEOSA-N 1 1 286.419 3.011 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)C=C2CCCCC2)C1 ZINC000971170208 613367976 /nfs/dbraw/zinc/36/79/76/613367976.db2.gz WAEWNRUIQCTOFS-OAHLLOKOSA-N 1 1 296.842 3.162 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)C=C2CCCCC2)C1 ZINC000971170208 613367977 /nfs/dbraw/zinc/36/79/77/613367977.db2.gz WAEWNRUIQCTOFS-OAHLLOKOSA-N 1 1 296.842 3.162 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)C1CC(C)C1 ZINC000968806739 613372926 /nfs/dbraw/zinc/37/29/26/613372926.db2.gz NZPCZBMLMZDXKJ-PESDSKBTSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C1CC(C)C1 ZINC000968806739 613372927 /nfs/dbraw/zinc/37/29/27/613372927.db2.gz NZPCZBMLMZDXKJ-PESDSKBTSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(C)CC=CC2)C[C@H]1C ZINC000947693883 613378374 /nfs/dbraw/zinc/37/83/74/613378374.db2.gz TYJNNPXWUCWQPR-KGLIPLIRSA-N 1 1 296.842 3.064 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(C)CC=CC2)C[C@H]1C ZINC000947693883 613378375 /nfs/dbraw/zinc/37/83/75/613378375.db2.gz TYJNNPXWUCWQPR-KGLIPLIRSA-N 1 1 296.842 3.064 20 30 CGEDMO C=C1CCC(C(=O)N(CC)C2C[NH+](CC[C@H](C)F)C2)CC1 ZINC000951619395 613403398 /nfs/dbraw/zinc/40/33/98/613403398.db2.gz HTVPEFAXONNVKF-AWEZNQCLSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[N@H+](CC(C)C)[C@H](C)C2)CC1 ZINC000947686491 613411850 /nfs/dbraw/zinc/41/18/50/613411850.db2.gz ZGHPYAUSRVLGCG-WBVHZDCISA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC2(C1)CCC[N@H+](CC=C(C)C)C2 ZINC000981932883 613429434 /nfs/dbraw/zinc/42/94/34/613429434.db2.gz GMCRCVUCPIJIAZ-UHFFFAOYSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@@H+]1CCCC2(CN(C(=O)C3(C)CCCC3)C2)C1 ZINC000981922523 613488224 /nfs/dbraw/zinc/48/82/24/613488224.db2.gz YZSRHUSONLFZGF-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)C2(C3CC3)CC2)CC1 ZINC000948467371 613499833 /nfs/dbraw/zinc/49/98/33/613499833.db2.gz PECFLFSJYHJLPP-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)/C(C)=C/C)C1 ZINC000963281790 613500439 /nfs/dbraw/zinc/50/04/39/613500439.db2.gz MUSLBYLRFYZTSV-KZIQZQBPSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@]23C[C@H]2CCC3)CC1 ZINC000948635337 613500851 /nfs/dbraw/zinc/50/08/51/613500851.db2.gz PEKQGYBRKPCQJK-SOLBZPMBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)c2ccsc2)CC1 ZINC000948169348 613501427 /nfs/dbraw/zinc/50/14/27/613501427.db2.gz IYHONMCJVSZIHS-HNNXBMFYSA-N 1 1 292.448 3.251 20 30 CGEDMO C=CCC[NH+]1CCN(C(=O)[C@@H](F)CC2CCCCC2)CC1 ZINC000957340173 613505271 /nfs/dbraw/zinc/50/52/71/613505271.db2.gz GHRIRRSKYNPAQC-INIZCTEOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C)cc2)C1 ZINC000968578058 613516114 /nfs/dbraw/zinc/51/61/14/613516114.db2.gz BGAOGPIQPTYGEO-WBVHZDCISA-N 1 1 286.419 3.011 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C(C)=C2CCC2)C[C@H]1C ZINC000947301590 613518566 /nfs/dbraw/zinc/51/85/66/613518566.db2.gz WHQZAFCWVQFMBJ-CZUORRHYSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)CC2CC(C)(C)C2)C[C@@H]1C ZINC000947653344 613519888 /nfs/dbraw/zinc/51/98/88/613519888.db2.gz MFRJQDSZYKZHGL-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)s2)C[C@@H]1C ZINC000946999887 613523740 /nfs/dbraw/zinc/52/37/40/613523740.db2.gz DITNSLVYYBRYPL-GXTWGEPZSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)CC2=CCCCC2)C1 ZINC000965625570 613528799 /nfs/dbraw/zinc/52/87/99/613528799.db2.gz OEXSZUUKZZUASB-RDJZCZTQSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2(C3CC3)CCC2)C[C@H]1C ZINC000947576856 613533987 /nfs/dbraw/zinc/53/39/87/613533987.db2.gz RYMXYUYKPYZRNL-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)C2CCCCCC2)[C@H](C)C1 ZINC000941869257 613534633 /nfs/dbraw/zinc/53/46/33/613534633.db2.gz INCUIUUWRXXYTH-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)c2ccc(C=C)cc2)[C@@H](C)C1 ZINC000942897275 613538566 /nfs/dbraw/zinc/53/85/66/613538566.db2.gz VZDOQESYJVWKSM-YJBOKZPZSA-N 1 1 298.430 3.346 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccsc2C)C[C@H]1C ZINC000947280502 613539996 /nfs/dbraw/zinc/53/99/96/613539996.db2.gz BLDMYHLXUBGSCE-OCCSQVGLSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C2C(C)(C)C2(C)C)C(C)(C)C1 ZINC000972998893 613543454 /nfs/dbraw/zinc/54/34/54/613543454.db2.gz PDVFJDNOCOWANF-CYBMUJFWSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](NC(=O)[C@]2(C)CC=CCC2)C(C)(C)C1 ZINC000974621102 613545363 /nfs/dbraw/zinc/54/53/63/613545363.db2.gz LNQXTGAKBGXDME-CRAIPNDOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)CC)C[C@@]2(C)C1 ZINC000982490830 613550700 /nfs/dbraw/zinc/55/07/00/613550700.db2.gz AXZOYSUCSZYNAP-HDICACEKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(C(C)C)cc2)C1 ZINC000972788409 613620726 /nfs/dbraw/zinc/62/07/26/613620726.db2.gz FOMWHTNYXBAIOS-QGZVFWFLSA-N 1 1 286.419 3.142 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)c2oc3ccccc3c2C)C1 ZINC000980325441 613640892 /nfs/dbraw/zinc/64/08/92/613640892.db2.gz NUMVNGZUEGQNJX-AWEZNQCLSA-N 1 1 298.386 3.074 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)c2coc3c2cccc3C)CC1 ZINC000981343005 613699855 /nfs/dbraw/zinc/69/98/55/613699855.db2.gz QJRCBOQXCJTBLK-UHFFFAOYSA-N 1 1 298.386 3.075 20 30 CGEDMO C=CC[N@H+]1CCCN(C(=O)c2scc(C)c2Cl)CC1 ZINC000981233531 613700080 /nfs/dbraw/zinc/70/00/80/613700080.db2.gz SZXKBUOWKWDCED-UHFFFAOYSA-N 1 1 298.839 3.044 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)c2scc(C)c2Cl)CC1 ZINC000981233531 613700081 /nfs/dbraw/zinc/70/00/81/613700081.db2.gz SZXKBUOWKWDCED-UHFFFAOYSA-N 1 1 298.839 3.044 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)C2CCC(F)CC2)CC1 ZINC000948741726 613700343 /nfs/dbraw/zinc/70/03/43/613700343.db2.gz DODLRFLTQFRFSR-UYSNPLJNSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC23CC3)CC1 ZINC000948542384 613701044 /nfs/dbraw/zinc/70/10/44/613701044.db2.gz RAPQBNSGPAJACO-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000963248915 613702948 /nfs/dbraw/zinc/70/29/48/613702948.db2.gz FEKHIMALRQYGEU-QZTJIDSGSA-N 1 1 298.430 3.189 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCC2CC2)C1 ZINC000963279504 613706179 /nfs/dbraw/zinc/70/61/79/613706179.db2.gz RUKNCXMUELCNQQ-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(Cl)s2)C1 ZINC000968614834 613730226 /nfs/dbraw/zinc/73/02/26/613730226.db2.gz OIGVCZMZZGNNBU-MNOVXSKESA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(Cl)s2)C1 ZINC000968614834 613730228 /nfs/dbraw/zinc/73/02/28/613730228.db2.gz OIGVCZMZZGNNBU-MNOVXSKESA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C(C)=C2CCCC2)C[C@@H]1C ZINC000947191791 613740252 /nfs/dbraw/zinc/74/02/52/613740252.db2.gz XYSJDAQOFZIVRK-XJKSGUPXSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Cl)s2)C[C@H]1C ZINC000947997982 613752785 /nfs/dbraw/zinc/75/27/85/613752785.db2.gz HFXCZLXITWJCKK-GHMZBOCLSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC)C[C@H]1C ZINC000947667917 613754248 /nfs/dbraw/zinc/75/42/48/613754248.db2.gz UCVDRKSNKLWGQL-GDBMZVCRSA-N 1 1 286.419 3.018 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cc3ccccc3o2)C[C@@H]1C ZINC000948001725 613789337 /nfs/dbraw/zinc/78/93/37/613789337.db2.gz DVKZGPYYRBXOLZ-ZFWWWQNUSA-N 1 1 298.386 3.202 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccoc2C(C)C)C[C@@H]1C ZINC000948072638 613793972 /nfs/dbraw/zinc/79/39/72/613793972.db2.gz AOUKIJRANMPEJF-KBPBESRZSA-N 1 1 290.407 3.172 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccoc2C(C)C)C(C)(C)C1 ZINC000977649011 613810841 /nfs/dbraw/zinc/81/08/41/613810841.db2.gz KNNBDRCILUAHPN-CQSZACIVSA-N 1 1 290.407 3.029 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCCCC2(C)C)C(C)(C)C1 ZINC000977635569 613827398 /nfs/dbraw/zinc/82/73/98/613827398.db2.gz MMXBGXXBPSAMGW-GJZGRUSLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)c2csc(Cl)c2)C(C)(C)C1 ZINC000975105452 613830042 /nfs/dbraw/zinc/83/00/42/613830042.db2.gz CHODQWPYFCEFOY-NSHDSACASA-N 1 1 298.839 3.028 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2csc(C3CC3)n2)cc1 ZINC000069876388 617806001 /nfs/dbraw/zinc/80/60/01/617806001.db2.gz CWPPIMIRWNUYSZ-UHFFFAOYSA-N 1 1 269.373 3.182 20 30 CGEDMO C#CC[C@H](Cc1ccccc1)Nc1cc(C)[nH+]c(C)n1 ZINC000804810090 617849424 /nfs/dbraw/zinc/84/94/24/617849424.db2.gz OQSGCHAXKQEJNF-MRXNPFEDSA-N 1 1 265.360 3.140 20 30 CGEDMO C=CCCCCCCNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000807571017 617856469 /nfs/dbraw/zinc/85/64/69/617856469.db2.gz YFPVYGXNCHZKIR-JKSUJKDBSA-N 1 1 295.471 3.105 20 30 CGEDMO C#Cc1cccc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000177632924 617953471 /nfs/dbraw/zinc/95/34/71/617953471.db2.gz AQYMCSOEWNOYIW-INIZCTEOSA-N 1 1 296.414 3.261 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CCCC2)C1 ZINC001021492225 618012329 /nfs/dbraw/zinc/01/23/29/618012329.db2.gz HPZWGWUVDYDOJF-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C1CCC(C(=O)Nc2cccnc2-n2cc[nH+]c2C)CC1 ZINC000900255915 620775467 /nfs/dbraw/zinc/77/54/67/620775467.db2.gz LYCIQIZQVNPNSI-UHFFFAOYSA-N 1 1 296.374 3.261 20 30 CGEDMO C#CCOc1ccccc1C[NH2+][C@H](C)c1c(C)noc1C ZINC000092326537 618179791 /nfs/dbraw/zinc/17/97/91/618179791.db2.gz SBDDPAPWMXYICI-GFCCVEGCSA-N 1 1 284.359 3.154 20 30 CGEDMO COc1ccc(C[N@H+](C)Cc2csc(C#N)c2)cc1 ZINC000891466595 618228209 /nfs/dbraw/zinc/22/82/09/618228209.db2.gz PSOVYQIOFTXFCE-UHFFFAOYSA-N 1 1 272.373 3.260 20 30 CGEDMO COc1ccc(C[N@@H+](C)Cc2csc(C#N)c2)cc1 ZINC000891466595 618228212 /nfs/dbraw/zinc/22/82/12/618228212.db2.gz PSOVYQIOFTXFCE-UHFFFAOYSA-N 1 1 272.373 3.260 20 30 CGEDMO COc1ccc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)o1 ZINC000891596267 618240822 /nfs/dbraw/zinc/24/08/22/618240822.db2.gz QROYBSJPLDQDRF-UHFFFAOYSA-N 1 1 282.343 3.324 20 30 CGEDMO COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)o1 ZINC000891596267 618240823 /nfs/dbraw/zinc/24/08/23/618240823.db2.gz QROYBSJPLDQDRF-UHFFFAOYSA-N 1 1 282.343 3.324 20 30 CGEDMO CC[NH+](CC)CC1CCN(Cc2csc(C#N)c2)CC1 ZINC000891611635 618241967 /nfs/dbraw/zinc/24/19/67/618241967.db2.gz SEZBFBWMVMKZJN-UHFFFAOYSA-N 1 1 291.464 3.174 20 30 CGEDMO C#CCOc1ccccc1CNc1cc(C)cc[nH+]1 ZINC000121509498 618243445 /nfs/dbraw/zinc/24/34/45/618243445.db2.gz GMJZBYGGMGVSNJ-UHFFFAOYSA-N 1 1 252.317 3.014 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)cs1)C[C@H]1CC1(Cl)Cl ZINC000933780584 618328179 /nfs/dbraw/zinc/32/81/79/618328179.db2.gz RLDXVIJEDGMWJC-SECBINFHSA-N 1 1 275.204 3.245 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@H]1CC1(Cl)Cl ZINC000933780584 618328186 /nfs/dbraw/zinc/32/81/86/618328186.db2.gz RLDXVIJEDGMWJC-SECBINFHSA-N 1 1 275.204 3.245 20 30 CGEDMO CCC[N@H+](Cc1csc(C#N)c1)C[C@H]1CCCCO1 ZINC000891942347 618396850 /nfs/dbraw/zinc/39/68/50/618396850.db2.gz FDIXSSNTGPMOIX-CQSZACIVSA-N 1 1 278.421 3.401 20 30 CGEDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1csc(C#N)c1 ZINC000892019074 618490412 /nfs/dbraw/zinc/49/04/12/618490412.db2.gz NTQSTCCTRQRSRP-LBPRGKRZSA-N 1 1 286.400 3.388 20 30 CGEDMO C[C@@H]1CSCCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000934305893 618585265 /nfs/dbraw/zinc/58/52/65/618585265.db2.gz LCOWPDDZLZQTKV-LLVKDONJSA-N 1 1 264.369 3.025 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1cc(-c2ccccc2)no1 ZINC000934469734 618626822 /nfs/dbraw/zinc/62/68/22/618626822.db2.gz YWWIOXMVGDVCNJ-CQSZACIVSA-N 1 1 254.333 3.492 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1CCCc1nc(-c2cccs2)no1 ZINC000934472443 618628291 /nfs/dbraw/zinc/62/82/91/618628291.db2.gz QUCYTQKIVHLVJK-GFCCVEGCSA-N 1 1 289.404 3.381 20 30 CGEDMO CC#CCC[N@@H+](C)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000155951742 618706777 /nfs/dbraw/zinc/70/67/77/618706777.db2.gz AGTIDWZBZVVGGS-UHFFFAOYSA-N 1 1 294.439 3.168 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001007398217 618888193 /nfs/dbraw/zinc/88/81/93/618888193.db2.gz YXPFCYWDVXLWPG-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1CCC ZINC001017921596 618891272 /nfs/dbraw/zinc/89/12/72/618891272.db2.gz DDSPZAWNUFSOFY-WCXIOVBPSA-N 1 1 290.451 3.064 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(OC)c(OCCCC)c1 ZINC000775184486 619006594 /nfs/dbraw/zinc/00/65/94/619006594.db2.gz WZVAKCTWPUKDJF-AWEZNQCLSA-N 1 1 275.392 3.328 20 30 CGEDMO C#CC[C@H]([NH2+]Cc1ccc(OC)o1)c1ccccc1 ZINC000893240524 619039971 /nfs/dbraw/zinc/03/99/71/619039971.db2.gz YENTXYVZDMVMAR-HNNXBMFYSA-N 1 1 255.317 3.142 20 30 CGEDMO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)CC1CCC(C#N)CC1 ZINC000930868635 619085271 /nfs/dbraw/zinc/08/52/71/619085271.db2.gz XPQKCTSCKCCYJH-NRXISQOPSA-N 1 1 294.439 3.368 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+](C[C@@H](C)CC)C2)CC1 ZINC001008413887 619093634 /nfs/dbraw/zinc/09/36/34/619093634.db2.gz WPLLZCBWASZQIG-WMLDXEAASA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+](CCOC1CCSCC1)C(C)(C)C ZINC000931017713 619099542 /nfs/dbraw/zinc/09/95/42/619099542.db2.gz SOIXMHVGISHVMW-UHFFFAOYSA-N 1 1 257.443 3.185 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@@H+](CCC#N)CC2CC2)cc1 ZINC000093091489 619165523 /nfs/dbraw/zinc/16/55/23/619165523.db2.gz SEYRBUBTRHYMKV-UHFFFAOYSA-N 1 1 296.418 3.162 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1ccnn1C1CCC1 ZINC000893421792 619171590 /nfs/dbraw/zinc/17/15/90/619171590.db2.gz SGGLFZUHWAQCLU-UHFFFAOYSA-N 1 1 285.391 3.432 20 30 CGEDMO C=C(Br)C[N@H+](Cc1ccccc1)[C@H](C)CCO ZINC000093311087 619183303 /nfs/dbraw/zinc/18/33/03/619183303.db2.gz ZNQMZHCUGXHIIE-CYBMUJFWSA-N 1 1 298.224 3.168 20 30 CGEDMO C=C(Br)C[N@@H+](Cc1ccccc1)[C@H](C)CCO ZINC000093311087 619183304 /nfs/dbraw/zinc/18/33/04/619183304.db2.gz ZNQMZHCUGXHIIE-CYBMUJFWSA-N 1 1 298.224 3.168 20 30 CGEDMO CCCCCCCC[NH+]1CCN(C[C@H]2CCOC2)CC1 ZINC000178500762 619229244 /nfs/dbraw/zinc/22/92/44/619229244.db2.gz TVJKZNISGHDKQG-QGZVFWFLSA-N 1 1 282.472 3.001 20 30 CGEDMO C#CC[N@H+](Cc1ccc2oc(=O)oc2c1)C1CCCCC1 ZINC000893978835 619343789 /nfs/dbraw/zinc/34/37/89/619343789.db2.gz XDLOTTPDQPTYKX-UHFFFAOYSA-N 1 1 285.343 3.154 20 30 CGEDMO CC(=O)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000163117864 619375117 /nfs/dbraw/zinc/37/51/17/619375117.db2.gz WALBTUOFJUFRBK-ZDUSSCGKSA-N 1 1 276.767 3.013 20 30 CGEDMO CC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000163117864 619375120 /nfs/dbraw/zinc/37/51/20/619375120.db2.gz WALBTUOFJUFRBK-ZDUSSCGKSA-N 1 1 276.767 3.013 20 30 CGEDMO Cc1ncoc1C[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000894395385 619518233 /nfs/dbraw/zinc/51/82/33/619518233.db2.gz CCFSKRVOKUBSJU-UHFFFAOYSA-N 1 1 294.276 3.143 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cs1 ZINC000894700830 619607426 /nfs/dbraw/zinc/60/74/26/619607426.db2.gz VPKJGQVYYSMKAA-OAGGEKHMSA-N 1 1 290.432 3.135 20 30 CGEDMO CC[N@H+](Cc1cc2c(cc1O)CCCC2)C[C@@H](C)C#N ZINC000160033257 619667262 /nfs/dbraw/zinc/66/72/62/619667262.db2.gz WBVJXEUTFNCSTK-ZDUSSCGKSA-N 1 1 272.392 3.253 20 30 CGEDMO CCC1CCC([N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000049024143 619675796 /nfs/dbraw/zinc/67/57/96/619675796.db2.gz IKUCQVGWLWCOPJ-UYJHFMRCSA-N 1 1 286.419 3.492 20 30 CGEDMO CC(=[NH+]NCCC(F)(F)F)c1ccccc1N(C)C ZINC000794552320 619763630 /nfs/dbraw/zinc/76/36/30/619763630.db2.gz MKYNLBQTWFXBDV-UHFFFAOYSA-N 1 1 273.302 3.019 20 30 CGEDMO CSCCON=C1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000794573386 619767762 /nfs/dbraw/zinc/76/77/62/619767762.db2.gz ZLCLFYCHQSQRIE-AWEZNQCLSA-N 1 1 292.448 3.264 20 30 CGEDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H](CC#N)C2)c1OC ZINC000895227935 619785896 /nfs/dbraw/zinc/78/58/96/619785896.db2.gz GKPPEPSKIHUSPY-AWEZNQCLSA-N 1 1 288.391 3.138 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)cs1 ZINC000895403969 619823750 /nfs/dbraw/zinc/82/37/50/619823750.db2.gz HWOPFFMBJMGNCR-GOEBONIOSA-N 1 1 290.432 3.401 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1ccc(C(F)F)c(F)c1 ZINC000895470984 619833950 /nfs/dbraw/zinc/83/39/50/619833950.db2.gz FYEWLTMUELRARP-UHFFFAOYSA-N 1 1 285.309 3.235 20 30 CGEDMO CC(C)CCO[C@@H]1CC[N@H+](Cc2csc(C#N)c2)C1 ZINC000895492276 619837658 /nfs/dbraw/zinc/83/76/58/619837658.db2.gz STFGFOLLOLFGMQ-CQSZACIVSA-N 1 1 278.421 3.257 20 30 CGEDMO CC(C)CCO[C@@H]1CC[N@@H+](Cc2csc(C#N)c2)C1 ZINC000895492276 619837660 /nfs/dbraw/zinc/83/76/60/619837660.db2.gz STFGFOLLOLFGMQ-CQSZACIVSA-N 1 1 278.421 3.257 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CC[C@H](c3nccs3)C2)cc1 ZINC000895584063 619854531 /nfs/dbraw/zinc/85/45/31/619854531.db2.gz OZNMVDYWLDGNGG-HNNXBMFYSA-N 1 1 298.411 3.145 20 30 CGEDMO C=C(C)C[C@@H]([NH2+][C@H](C)CCC(F)(F)F)C(=O)OCC ZINC000895597736 619858702 /nfs/dbraw/zinc/85/87/02/619858702.db2.gz KGECFSJHPBEFPK-GHMZBOCLSA-N 1 1 281.318 3.205 20 30 CGEDMO N#Cc1cc(C[NH+]2CC(c3ccccc3)C2)cs1 ZINC000895693600 619871429 /nfs/dbraw/zinc/87/14/29/619871429.db2.gz IIAIQJJEJAMCRV-UHFFFAOYSA-N 1 1 254.358 3.219 20 30 CGEDMO C[C@H]1[C@@H](Nc2ccc(C#N)cc2C(F)(F)F)CC[N@H+]1C ZINC000895739573 619877917 /nfs/dbraw/zinc/87/79/17/619877917.db2.gz HCBQMHRMVASSSQ-CABZTGNLSA-N 1 1 283.297 3.082 20 30 CGEDMO C[C@H]1[C@H](Nc2cc(C#N)ccc2C(F)(F)F)CC[N@H+]1C ZINC000895740171 619878282 /nfs/dbraw/zinc/87/82/82/619878282.db2.gz LVWNXZIOKVVADI-JOYOIKCWSA-N 1 1 283.297 3.082 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3CC[C@@H]([C@H]4CCCO4)C3)cc2)CC1 ZINC000895842566 619892789 /nfs/dbraw/zinc/89/27/89/619892789.db2.gz HHGKBHBCQONGJM-SJLPKXTDSA-N 1 1 296.414 3.243 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)c2oc(C)cc2C)CC1 ZINC000985363292 620177136 /nfs/dbraw/zinc/17/71/36/620177136.db2.gz VLYVSOAWZYYTKV-UHFFFAOYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H](O)c1ccccc1 ZINC000054272390 620180762 /nfs/dbraw/zinc/18/07/62/620180762.db2.gz OPJIDAVXYOLJQG-LJQANCHMSA-N 1 1 297.398 3.417 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)C2(C)CCCCCC2)CC1 ZINC000985470293 620197349 /nfs/dbraw/zinc/19/73/49/620197349.db2.gz HUDPYEDURCTICX-UHFFFAOYSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)c2ccc(CC)s2)CC1 ZINC000985525995 620205727 /nfs/dbraw/zinc/20/57/27/620205727.db2.gz MVZVJBFUDAPPKR-UHFFFAOYSA-N 1 1 292.448 3.033 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000985614746 620221885 /nfs/dbraw/zinc/22/18/85/620221885.db2.gz SUJCTCQVWQYTDN-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C1CCC(C(=O)N2CCC([N@H+](C)CCC)CC2)CC1 ZINC000985619763 620222488 /nfs/dbraw/zinc/22/24/88/620222488.db2.gz VASULTGGEYWUIN-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@H]2C[C@@]2(C)CC)CC1 ZINC000985727363 620232698 /nfs/dbraw/zinc/23/26/98/620232698.db2.gz MTJGKLFMJDAMRJ-GDBMZVCRSA-N 1 1 298.858 3.098 20 30 CGEDMO C#Cc1ccc(C[N@H+](CC)Cc2ccccn2)cc1 ZINC000798185463 620248949 /nfs/dbraw/zinc/24/89/49/620248949.db2.gz URRIPGVWQIWPKZ-UHFFFAOYSA-N 1 1 250.345 3.085 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2oc(C)cc2C)C1 ZINC001007046731 620383515 /nfs/dbraw/zinc/38/35/15/620383515.db2.gz WTQPXDZUVCRFAC-OAHLLOKOSA-N 1 1 290.407 3.057 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000898119192 620480402 /nfs/dbraw/zinc/48/04/02/620480402.db2.gz JLGQHPZHYLHEDL-CQSZACIVSA-N 1 1 282.391 3.448 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)C2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000989754613 620524283 /nfs/dbraw/zinc/52/42/83/620524283.db2.gz TXPQOSSCHAIJPH-HOTGVXAUSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)C[C@@H]2CCCCC2(C)C)CC1 ZINC000989808557 620525580 /nfs/dbraw/zinc/52/55/80/620525580.db2.gz MTXLVLKMHQZMQQ-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)CC3CCC3)CCC[C@H]12 ZINC000990137774 620536757 /nfs/dbraw/zinc/53/67/57/620536757.db2.gz SYXARVOKHMPGCB-WMZOPIPTSA-N 1 1 290.451 3.256 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(CC)C(=O)C2CCC2)CC1 ZINC000997898641 625763170 /nfs/dbraw/zinc/76/31/70/625763170.db2.gz IIFFFLHNKKYWAT-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000801924379 621388352 /nfs/dbraw/zinc/38/83/52/621388352.db2.gz OHXSPIWBIGTMTJ-XJKSGUPXSA-N 1 1 276.355 3.281 20 30 CGEDMO C[C@H]([NH2+][C@H]1CCOc2ccc(F)cc21)c1cc(C#N)ccn1 ZINC000902860066 621478693 /nfs/dbraw/zinc/47/86/93/621478693.db2.gz OCUKMVIUHKIZSA-NHYWBVRUSA-N 1 1 297.333 3.267 20 30 CGEDMO CC[C@H]([NH2+]CC1(C#N)CCC1)c1ccc(C(=O)OC)cc1 ZINC000903035417 621537942 /nfs/dbraw/zinc/53/79/42/621537942.db2.gz OUQQBMVYQZFVBI-HNNXBMFYSA-N 1 1 286.375 3.208 20 30 CGEDMO N#CC1(C[NH2+][C@H](Cc2ccncc2)c2cccs2)CC1 ZINC000903106859 621579417 /nfs/dbraw/zinc/57/94/17/621579417.db2.gz WYFRWFSRNDMXBE-CQSZACIVSA-N 1 1 283.400 3.320 20 30 CGEDMO COc1ccc(OC)c([C@@H](C)[NH2+]CC2(C#N)CCCC2)c1 ZINC000903107743 621581108 /nfs/dbraw/zinc/58/11/08/621581108.db2.gz DCVJUUVQGYYHEA-CYBMUJFWSA-N 1 1 288.391 3.438 20 30 CGEDMO CC(C)n1cc([C@H](C)[NH2+]CC2(C#N)CCCC2)cn1 ZINC000903108162 621581278 /nfs/dbraw/zinc/58/12/78/621581278.db2.gz NYSNJQOVVQKOSR-ZDUSSCGKSA-N 1 1 260.385 3.199 20 30 CGEDMO C=CCC[C@H](CC)[NH2+][C@@H](CCN(C)C)c1cccnc1 ZINC000903382173 621723629 /nfs/dbraw/zinc/72/36/29/621723629.db2.gz DAFKEXGKCIVVIC-IRXDYDNUSA-N 1 1 275.440 3.409 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(Cc2csc(CC)n2)no1 ZINC000904582990 621935879 /nfs/dbraw/zinc/93/58/79/621935879.db2.gz AYFSYBHEPSCIMG-NSHDSACASA-N 1 1 292.408 3.035 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc([C@@H]2CCOc3ccccc32)no1 ZINC000904601479 621943101 /nfs/dbraw/zinc/94/31/01/621943101.db2.gz DRWVORNBIOURKM-KGLIPLIRSA-N 1 1 299.374 3.340 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2coc(CCC)n2)no1 ZINC000904721464 621956497 /nfs/dbraw/zinc/95/64/97/621956497.db2.gz LHOXUBGXTVPZKT-SNVBAGLBSA-N 1 1 276.340 3.033 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2cc(CC)ccn2)no1 ZINC000904713735 621960751 /nfs/dbraw/zinc/96/07/51/621960751.db2.gz WUKMCEUICTUTIF-GFCCVEGCSA-N 1 1 272.352 3.050 20 30 CGEDMO C=CC[N@@H+](Cc1cn(C2CC2)nn1)CC1CCCCC1 ZINC000906265757 622211150 /nfs/dbraw/zinc/21/11/50/622211150.db2.gz HGQRLBRWSWUAPU-UHFFFAOYSA-N 1 1 274.412 3.181 20 30 CGEDMO C=CC[N@H+](Cc1cn(C2CC2)nn1)CC1CCCCC1 ZINC000906265757 622211155 /nfs/dbraw/zinc/21/11/55/622211155.db2.gz HGQRLBRWSWUAPU-UHFFFAOYSA-N 1 1 274.412 3.181 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2C[C@@H](C)C[C@H]2C)cc1 ZINC000769471266 625569923 /nfs/dbraw/zinc/56/99/23/625569923.db2.gz RPKOTJNYOPGUIJ-LSDHHAIUSA-N 1 1 257.377 3.319 20 30 CGEDMO C[N@@H+](CCC1CCCCC1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000156003971 622596513 /nfs/dbraw/zinc/59/65/13/622596513.db2.gz GPXOFOZAJASLMZ-GOSISDBHSA-N 1 1 286.419 3.494 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(C)c(Br)c1 ZINC000769977193 625583949 /nfs/dbraw/zinc/58/39/49/625583949.db2.gz AAZHYZFRPHQOQN-NSHDSACASA-N 1 1 266.182 3.211 20 30 CGEDMO CCCCCCCC[N@@H+](C)C[C@@H]1CCN(C(C)=O)C1 ZINC000156529376 622823493 /nfs/dbraw/zinc/82/34/93/622823493.db2.gz NWPRLXNOVLSZGE-INIZCTEOSA-N 1 1 268.445 3.147 20 30 CGEDMO C=CCc1cc(C[N@H+]2CCC(C)(C)C2)c(O)c(OC)c1 ZINC000164423971 622834469 /nfs/dbraw/zinc/83/44/69/622834469.db2.gz BYJUPDDEDAOLCV-UHFFFAOYSA-N 1 1 275.392 3.361 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000157033449 622861806 /nfs/dbraw/zinc/86/18/06/622861806.db2.gz ZGRWCJXSKKPYMT-ZDUSSCGKSA-N 1 1 263.768 3.064 20 30 CGEDMO CCC(CC)[C@@H](C[NH2+]Cc1csc(C#N)c1)N(C)C ZINC000921523522 625631908 /nfs/dbraw/zinc/63/19/08/625631908.db2.gz YLSSQRUPNAPCGC-OAHLLOKOSA-N 1 1 279.453 3.076 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000172829522 623284417 /nfs/dbraw/zinc/28/44/17/623284417.db2.gz YBZZYZOQUAVOOV-AWEZNQCLSA-N 1 1 282.428 3.141 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCCOc2ccc(C#N)cc2)CC1 ZINC000063302476 623313805 /nfs/dbraw/zinc/31/38/05/623313805.db2.gz KRCHCCWHWNNJRC-OAHLLOKOSA-N 1 1 272.392 3.449 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC3(CCCC3)C2)c(F)c1 ZINC000174262281 623379299 /nfs/dbraw/zinc/37/92/99/623379299.db2.gz GFJOMBKWWIYRJP-UHFFFAOYSA-N 1 1 258.340 3.463 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3CC)CCC[C@H]12 ZINC000992243947 623487058 /nfs/dbraw/zinc/48/70/58/623487058.db2.gz XERCFWXQKMBHDQ-CBZIJGRNSA-N 1 1 290.451 3.112 20 30 CGEDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000929684641 623508369 /nfs/dbraw/zinc/50/83/69/623508369.db2.gz JKQNOZRJOXMDEK-JKSUJKDBSA-N 1 1 278.440 3.476 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CC2CCCC2)[C@H]1C ZINC000992989890 623773795 /nfs/dbraw/zinc/77/37/95/623773795.db2.gz UQPOXSWARRJBJI-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccsc2)[C@@H]1C ZINC000993051257 623806661 /nfs/dbraw/zinc/80/66/61/623806661.db2.gz HLUWBPVBXDXFGN-DZGCQCFKSA-N 1 1 292.448 3.297 20 30 CGEDMO Nc1ccc2c(c1)CCCC2=[NH+]OCCC(F)(F)F ZINC000834971182 623840549 /nfs/dbraw/zinc/84/05/49/623840549.db2.gz BASJLPVLZDPRGK-UHFFFAOYSA-N 1 1 272.270 3.278 20 30 CGEDMO C[C@H]1[N@@H+](CCCCC2(C#N)CCC2)CCOC1(C)C ZINC000929840992 623840587 /nfs/dbraw/zinc/84/05/87/623840587.db2.gz JANRSGFZJDVKBJ-CQSZACIVSA-N 1 1 264.413 3.350 20 30 CGEDMO NC(=[NH2+])NN=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000915050672 623889694 /nfs/dbraw/zinc/88/96/94/623889694.db2.gz DYMQOSITBYJOPD-UHFFFAOYSA-N 1 1 297.145 3.070 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C(C)=C2CCCC2)[C@@H]1C ZINC000993191150 623908140 /nfs/dbraw/zinc/90/81/40/623908140.db2.gz AFUZMUUKSWXBEP-GOEBONIOSA-N 1 1 276.424 3.032 20 30 CGEDMO COc1ccc(O)c(/C=N\C[C@H](C)[N@H+]2CCCC[C@H]2C)c1 ZINC000915271150 623936243 /nfs/dbraw/zinc/93/62/43/623936243.db2.gz LUACMUGHLPYDHD-KJLGNSRGSA-N 1 1 290.407 3.083 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C(C)=C2CCCC2)[C@@H]1C ZINC000993196455 623940728 /nfs/dbraw/zinc/94/07/28/623940728.db2.gz INLQXODTBHEABC-DOTOQJQBSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C2=CCCC2)[C@@H]1C ZINC000993236564 623993552 /nfs/dbraw/zinc/99/35/52/623993552.db2.gz SLYJAXGCBFWNMA-GOEBONIOSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C2CC(C)(C)C2)[C@H]1C ZINC000993323633 624023096 /nfs/dbraw/zinc/02/30/96/624023096.db2.gz FYEJPNWNFVRTHT-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C23CCC(CC2)C3)[C@@H]1C ZINC000993480428 624051201 /nfs/dbraw/zinc/05/12/01/624051201.db2.gz DLWLDKSRBSMNLR-UERKLNTKSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C23CCC(CC2)C3)[C@H]1C ZINC000993480425 624051337 /nfs/dbraw/zinc/05/13/37/624051337.db2.gz DLWLDKSRBSMNLR-CTMQZQKCSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C2(F)CCCC2)[C@H]1C ZINC000993504476 624052367 /nfs/dbraw/zinc/05/23/67/624052367.db2.gz RDQGGODDHBGZQV-CABCVRRESA-N 1 1 296.430 3.204 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C2(C)CCCC2)[C@@H]1C ZINC000993618409 624055397 /nfs/dbraw/zinc/05/53/97/624055397.db2.gz ADMYZFZUUNWDJQ-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C2CC3(CC3)C2)[C@H]1C ZINC000993823581 624063877 /nfs/dbraw/zinc/06/38/77/624063877.db2.gz YTRRDXXCRUIJMY-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO C=Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CC(=C)C)[C@H]2C)cc1 ZINC000993830335 624064001 /nfs/dbraw/zinc/06/40/01/624064001.db2.gz XRDLNPHHYMFQGW-YJBOKZPZSA-N 1 1 298.430 3.488 20 30 CGEDMO CCCC(=NN1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000916581247 624184672 /nfs/dbraw/zinc/18/46/72/624184672.db2.gz WAKQDDMHYPPXCG-UHFFFAOYSA-N 1 1 279.815 3.092 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C2CCC=CCC2)[C@H]1C ZINC000994457667 624230753 /nfs/dbraw/zinc/23/07/53/624230753.db2.gz YMOBKPBVJJUJEU-WBVHZDCISA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC[N@@H+](C[C@@H](O)COc1c(C)ccc(C)c1C)C(C)C ZINC000917069084 624232693 /nfs/dbraw/zinc/23/26/93/624232693.db2.gz GVQZRHKFRYTNNN-QGZVFWFLSA-N 1 1 291.435 3.248 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(F)s2)[C@@H]1C ZINC000994503123 624244020 /nfs/dbraw/zinc/24/40/20/624244020.db2.gz DTGVWRBSIZKHEM-RYUDHWBXSA-N 1 1 296.411 3.046 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1ccc(F)cc1Cl)C(C)C ZINC000917167172 624248566 /nfs/dbraw/zinc/24/85/66/624248566.db2.gz YKQTXEUOFVMPGM-UHFFFAOYSA-N 1 1 284.762 3.314 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1ccc(F)cc1Cl)C(C)C ZINC000917167172 624248569 /nfs/dbraw/zinc/24/85/69/624248569.db2.gz YKQTXEUOFVMPGM-UHFFFAOYSA-N 1 1 284.762 3.314 20 30 CGEDMO CCCCCCCCCC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000918395284 624345954 /nfs/dbraw/zinc/34/59/54/624345954.db2.gz NAQLHUQIMAVJMC-OAHLLOKOSA-N 1 1 268.445 3.338 20 30 CGEDMO C[C@H](C#N)C[N@H+](C[C@@H]1CCC[C@@H](C(F)(F)F)O1)C1CC1 ZINC000930088184 624414575 /nfs/dbraw/zinc/41/45/75/624414575.db2.gz ZBWQTAFAKJWNOI-WXHSDQCUSA-N 1 1 290.329 3.110 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C[C@@H]1CCC[C@@H](C(F)(F)F)O1)C1CC1 ZINC000930088184 624414579 /nfs/dbraw/zinc/41/45/79/624414579.db2.gz ZBWQTAFAKJWNOI-WXHSDQCUSA-N 1 1 290.329 3.110 20 30 CGEDMO C=C(Br)C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000919648836 624415326 /nfs/dbraw/zinc/41/53/26/624415326.db2.gz WZSBHMKREMDDTE-UHFFFAOYSA-N 1 1 295.224 3.107 20 30 CGEDMO C=C(Br)C[N@H+]1CCCN(c2ccccc2)CC1 ZINC000919648836 624415329 /nfs/dbraw/zinc/41/53/29/624415329.db2.gz WZSBHMKREMDDTE-UHFFFAOYSA-N 1 1 295.224 3.107 20 30 CGEDMO CC(=[NH+]n1cc(Br)cn1)C1CCCC1 ZINC000752748262 626437036 /nfs/dbraw/zinc/43/70/36/626437036.db2.gz UYAAIEHQJKZRDY-UHFFFAOYSA-N 1 1 256.147 3.060 20 30 CGEDMO C#CCCCCC(=O)N1CCC(C[N@H+](C)CCCC)CC1 ZINC000180151332 624720347 /nfs/dbraw/zinc/72/03/47/624720347.db2.gz YPFVHSYLSFEQSN-UHFFFAOYSA-N 1 1 292.467 3.151 20 30 CGEDMO C#CC[N@H+](Cc1ccc(CO)cc1)[C@@H]1CCc2ccccc21 ZINC000182687242 625024200 /nfs/dbraw/zinc/02/42/00/625024200.db2.gz STIBKSOGYYUHOR-HXUWFJFHSA-N 1 1 291.394 3.302 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cccc(C(F)F)c2)C1 ZINC001016055646 625755811 /nfs/dbraw/zinc/75/58/11/625755811.db2.gz FGFUYWMQTRLNTA-AWEZNQCLSA-N 1 1 294.345 3.004 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cccc(C(F)F)c2)C1 ZINC001016055649 625756849 /nfs/dbraw/zinc/75/68/49/625756849.db2.gz FGFUYWMQTRLNTA-CQSZACIVSA-N 1 1 294.345 3.004 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)C2CCCC2)CC1 ZINC000997896320 625764066 /nfs/dbraw/zinc/76/40/66/625764066.db2.gz BFFLZIZXEBVKIX-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)c2c(C)cccc2C)CC1 ZINC001001198567 625892230 /nfs/dbraw/zinc/89/22/30/625892230.db2.gz FLSPOWPABIPRSZ-UHFFFAOYSA-N 1 1 298.430 3.241 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)CC2CCCCC2)CC1 ZINC001002296620 625922698 /nfs/dbraw/zinc/92/26/98/625922698.db2.gz DVBAPJRKCDEPDU-UHFFFAOYSA-N 1 1 298.858 3.290 20 30 CGEDMO C[C@H](NCc1csc(C#N)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000922006174 625959491 /nfs/dbraw/zinc/95/94/91/625959491.db2.gz CXGQWYLCTPMZMX-SUMWQHHRSA-N 1 1 299.443 3.401 20 30 CGEDMO N#Cc1cc(CNC[C@@H]2CC[N@H+]2C2CCCCC2)cs1 ZINC000922290834 625993799 /nfs/dbraw/zinc/99/37/99/625993799.db2.gz WDBAXEWUYXZSAG-HNNXBMFYSA-N 1 1 289.448 3.116 20 30 CGEDMO N#Cc1cc(C[NH2+]C[C@@H]2CCN2C2CCCCC2)cs1 ZINC000922290834 625993801 /nfs/dbraw/zinc/99/38/01/625993801.db2.gz WDBAXEWUYXZSAG-HNNXBMFYSA-N 1 1 289.448 3.116 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000839524453 626356432 /nfs/dbraw/zinc/35/64/32/626356432.db2.gz GECVPVTYOBEDDR-XOKHGSTOSA-N 1 1 290.382 3.406 20 30 CGEDMO C=C(Cl)C[N@@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000839530262 626364827 /nfs/dbraw/zinc/36/48/27/626364827.db2.gz PDMZJWDFOYFDFB-HNNXBMFYSA-N 1 1 265.784 3.012 20 30 CGEDMO C=C(Br)C[N@@H+](C)[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000752074521 626417618 /nfs/dbraw/zinc/41/76/18/626417618.db2.gz DZWXOYNKCWXYMI-ZYHUDNBSSA-N 1 1 276.218 3.030 20 30 CGEDMO C=C(Br)C[N@H+](C)[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000752074521 626417621 /nfs/dbraw/zinc/41/76/21/626417621.db2.gz DZWXOYNKCWXYMI-ZYHUDNBSSA-N 1 1 276.218 3.030 20 30 CGEDMO CCc1ncc(C[NH2+]Cc2cc(C#N)ccc2F)s1 ZINC000752266247 626423501 /nfs/dbraw/zinc/42/35/01/626423501.db2.gz SMOJJQUDRXBPBG-UHFFFAOYSA-N 1 1 275.352 3.006 20 30 CGEDMO C#CCC[N@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000752858623 626440951 /nfs/dbraw/zinc/44/09/51/626440951.db2.gz WOHNRHXZIQOYTJ-WBVHZDCISA-N 1 1 257.377 3.089 20 30 CGEDMO C#CCC[N@@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000752858623 626440952 /nfs/dbraw/zinc/44/09/52/626440952.db2.gz WOHNRHXZIQOYTJ-WBVHZDCISA-N 1 1 257.377 3.089 20 30 CGEDMO Cc1cccc(C)c1CO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000753831151 626467445 /nfs/dbraw/zinc/46/74/45/626467445.db2.gz YKSIMEAGPGVYPI-UHFFFAOYSA-N 1 1 296.370 3.075 20 30 CGEDMO COC1CCC(CC/[NH+]=C/c2ccccc2O)CC1 ZINC000753993025 626471153 /nfs/dbraw/zinc/47/11/53/626471153.db2.gz CBWTZTCCDAROST-SFQUDFHCSA-N 1 1 261.365 3.406 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CC(C)(C)OC[C@@H]2C)cc1 ZINC000754156738 626561555 /nfs/dbraw/zinc/56/15/55/626561555.db2.gz UIOXELMFGWMTNQ-HNNXBMFYSA-N 1 1 287.403 3.088 20 30 CGEDMO CC(C)[N@@H+]1CC(=NNCc2cccc3cccnc32)[C@@H](C)C1 ZINC000754258684 626565205 /nfs/dbraw/zinc/56/52/05/626565205.db2.gz MZKDZVFVVSWDIQ-AWEZNQCLSA-N 1 1 296.418 3.041 20 30 CGEDMO CCc1[nH+]c(C=Nn2cnc3ccccc32)c2ccccn21 ZINC000755611710 626631624 /nfs/dbraw/zinc/63/16/24/626631624.db2.gz GJDYXRLHVUJYBI-UHFFFAOYSA-N 1 1 289.342 3.129 20 30 CGEDMO C[C@H]1C[N@H+](C2CC2)CC1N=Nc1ccc(Cl)cc1 ZINC000755874298 626655480 /nfs/dbraw/zinc/65/54/80/626655480.db2.gz MDLWUPHMMIGNHB-JTQLQIEISA-N 1 1 263.772 3.222 20 30 CGEDMO C#CC[N@H+](CCCOC(C)(C)C)C1CCCCC1 ZINC000756809747 626734324 /nfs/dbraw/zinc/73/43/24/626734324.db2.gz XGEWQNRLWUVLQR-UHFFFAOYSA-N 1 1 251.414 3.460 20 30 CGEDMO C#CC[N@H+](Cc1cn2cc(Cl)ccc2n1)C1CCCC1 ZINC000756910880 626740861 /nfs/dbraw/zinc/74/08/61/626740861.db2.gz LYBPZGBMDXIWBR-UHFFFAOYSA-N 1 1 287.794 3.366 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000124857072 634521667 /nfs/dbraw/zinc/52/16/67/634521667.db2.gz AEQVECBEGIYEJA-MJBXVCDLSA-N 1 1 257.805 3.145 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000760819667 626993818 /nfs/dbraw/zinc/99/38/18/626993818.db2.gz NLFGBCKIFQMURP-OAHLLOKOSA-N 1 1 292.220 3.479 20 30 CGEDMO C#CCC[N@H+](C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000760821169 626994400 /nfs/dbraw/zinc/99/44/00/626994400.db2.gz PDYAAPUYOZPUDM-SJORKVTESA-N 1 1 257.377 3.109 20 30 CGEDMO C#CCC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000760843498 626996066 /nfs/dbraw/zinc/99/60/66/626996066.db2.gz KUXBRFXDEUSBJY-MSOLQXFVSA-N 1 1 271.404 3.378 20 30 CGEDMO C#CCC[N@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000760845372 626996316 /nfs/dbraw/zinc/99/63/16/626996316.db2.gz XOHOWRIZFOMANO-SFHVURJKSA-N 1 1 253.389 3.380 20 30 CGEDMO C#CC[N@@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000762625005 627118127 /nfs/dbraw/zinc/11/81/27/627118127.db2.gz RWRXILBUIXKFFC-UHFFFAOYSA-N 1 1 276.177 3.171 20 30 CGEDMO CCO[NH+]=Cc1c(Cl)cccc1N1CCCC1 ZINC000763353438 627153329 /nfs/dbraw/zinc/15/33/29/627153329.db2.gz DBSBEHOXOAFIHE-UHFFFAOYSA-N 1 1 252.745 3.311 20 30 CGEDMO C#CC[N@H+](CCOc1ccccc1C(F)(F)F)C1CC1 ZINC000763956323 627187606 /nfs/dbraw/zinc/18/76/06/627187606.db2.gz LCKPMAZHLFFLIJ-UHFFFAOYSA-N 1 1 283.293 3.182 20 30 CGEDMO C#CC[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000764676064 627217684 /nfs/dbraw/zinc/21/76/84/627217684.db2.gz FKATVZAADPYVRI-UHFFFAOYSA-N 1 1 296.326 3.452 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OC)c(OCC(C)C)c1)C1CC1 ZINC000764681709 627218263 /nfs/dbraw/zinc/21/82/63/627218263.db2.gz HMKUTUTVTILYMW-UHFFFAOYSA-N 1 1 287.403 3.328 20 30 CGEDMO CC(=O)c1ccc(C#N)cc1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000764939503 627233548 /nfs/dbraw/zinc/23/35/48/627233548.db2.gz CQYKFWPUORCWLA-INIZCTEOSA-N 1 1 297.402 3.190 20 30 CGEDMO CC(=O)c1ccc(C#N)cc1NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000764939504 627233553 /nfs/dbraw/zinc/23/35/53/627233553.db2.gz CQYKFWPUORCWLA-MRXNPFEDSA-N 1 1 297.402 3.190 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1cccnc1Cl ZINC000765015988 627236657 /nfs/dbraw/zinc/23/66/57/627236657.db2.gz UJNIHALFVKKBAD-LLVKDONJSA-N 1 1 271.751 3.457 20 30 CGEDMO C[C@@H]1CC(C)(C)CC1=[NH+]n1cc(Br)cn1 ZINC000766025782 627288219 /nfs/dbraw/zinc/28/82/19/627288219.db2.gz OBAJWHAIXJAGBJ-MRVPVSSYSA-N 1 1 270.174 3.306 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cn1nccc1-c1ccc(F)c(Cl)c1 ZINC000766664756 627351771 /nfs/dbraw/zinc/35/17/71/627351771.db2.gz UXDSGWQUJFBPRN-LLVKDONJSA-N 1 1 291.757 3.254 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cn1nccc1-c1ccc(F)c(Cl)c1 ZINC000766664756 627351773 /nfs/dbraw/zinc/35/17/73/627351773.db2.gz UXDSGWQUJFBPRN-LLVKDONJSA-N 1 1 291.757 3.254 20 30 CGEDMO C[NH+]1CCN(N=C2CCC(C)(c3ccccc3)CC2)CC1 ZINC000766678290 627352221 /nfs/dbraw/zinc/35/22/21/627352221.db2.gz ORMXDQBQNLBLNW-UHFFFAOYSA-N 1 1 285.435 3.122 20 30 CGEDMO C#CCCC[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000766897069 627368673 /nfs/dbraw/zinc/36/86/73/627368673.db2.gz XMPIUBBDHTZICM-UHFFFAOYSA-N 1 1 271.282 3.430 20 30 CGEDMO C#CCCC[N@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000766902350 627369199 /nfs/dbraw/zinc/36/91/99/627369199.db2.gz GPXZZCMQDMJQRM-KRWDZBQOSA-N 1 1 256.393 3.001 20 30 CGEDMO C#CCCC[N@@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000766903647 627369684 /nfs/dbraw/zinc/36/96/84/627369684.db2.gz UODXRHBCIMUDTE-HNNXBMFYSA-N 1 1 297.320 3.492 20 30 CGEDMO C#CCCC[N@H+]1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000766903647 627369687 /nfs/dbraw/zinc/36/96/87/627369687.db2.gz UODXRHBCIMUDTE-HNNXBMFYSA-N 1 1 297.320 3.492 20 30 CGEDMO C#CCCC[N@@H+](CCN(CC)CC)Cc1ccccc1 ZINC000766907134 627370321 /nfs/dbraw/zinc/37/03/21/627370321.db2.gz VINMJXOYYCYONO-UHFFFAOYSA-N 1 1 272.436 3.244 20 30 CGEDMO C#CCCC[N@H+](CCN(CC)CC)Cc1ccccc1 ZINC000766907134 627370323 /nfs/dbraw/zinc/37/03/23/627370323.db2.gz VINMJXOYYCYONO-UHFFFAOYSA-N 1 1 272.436 3.244 20 30 CGEDMO Cc1cc(C[NH2+]Cc2cc(C#N)ccc2F)c(C)o1 ZINC000767374019 627402516 /nfs/dbraw/zinc/40/25/16/627402516.db2.gz REHXHMGKLHKVDJ-UHFFFAOYSA-N 1 1 258.296 3.197 20 30 CGEDMO C[C@H]1CC(=NNC2CCCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000767378849 627403472 /nfs/dbraw/zinc/40/34/72/627403472.db2.gz VRPBBBCSLNRPPQ-HNNXBMFYSA-N 1 1 285.435 3.417 20 30 CGEDMO C[C@H]1CC(=NNC2CCCC2)C[N@H+](Cc2ccccc2)C1 ZINC000767378849 627403473 /nfs/dbraw/zinc/40/34/73/627403473.db2.gz VRPBBBCSLNRPPQ-HNNXBMFYSA-N 1 1 285.435 3.417 20 30 CGEDMO CC(C)C[N@H+](CCC#N)Cc1c[nH]nc1-c1ccccc1 ZINC000768153897 627464088 /nfs/dbraw/zinc/46/40/88/627464088.db2.gz OUWIFNNLOAEYEH-UHFFFAOYSA-N 1 1 282.391 3.448 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)Cc1c[nH]nc1-c1ccccc1 ZINC000768153897 627464090 /nfs/dbraw/zinc/46/40/90/627464090.db2.gz OUWIFNNLOAEYEH-UHFFFAOYSA-N 1 1 282.391 3.448 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000768359535 627475743 /nfs/dbraw/zinc/47/57/43/627475743.db2.gz FHVXVZALRJEAMK-LJQANCHMSA-N 1 1 292.382 3.431 20 30 CGEDMO C=CC[N@@H+](Cc1cnc2ccc(Cl)cn12)C(C)C ZINC000768547464 627485771 /nfs/dbraw/zinc/48/57/71/627485771.db2.gz NNVBCTBDDFCJRD-UHFFFAOYSA-N 1 1 263.772 3.384 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000768547961 627485997 /nfs/dbraw/zinc/48/59/97/627485997.db2.gz UTRHXQHDFXNWIA-UHFFFAOYSA-N 1 1 292.398 3.059 20 30 CGEDMO CCCCCCC[N@@H+](CCO)Cc1ccc(C)o1 ZINC000768840754 627503213 /nfs/dbraw/zinc/50/32/13/627503213.db2.gz DZBIVSVJKVEPJU-UHFFFAOYSA-N 1 1 253.386 3.353 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@H]2CC)cc1 ZINC000769011569 627516942 /nfs/dbraw/zinc/51/69/42/627516942.db2.gz YCYDSSOCLRZZRW-MRXNPFEDSA-N 1 1 257.377 3.463 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccc(OC(F)F)c(Cl)c1 ZINC000769111085 627523058 /nfs/dbraw/zinc/52/30/58/627523058.db2.gz MAKIRNACHRAIOR-UHFFFAOYSA-N 1 1 273.710 3.397 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)cc1 ZINC000769142308 627525312 /nfs/dbraw/zinc/52/53/12/627525312.db2.gz UNDZPKPPYBNDNW-GASCZTMLSA-N 1 1 289.444 3.415 20 30 CGEDMO C#CC[N@@H+](Cc1ccc2c[nH]nc2c1)C1CCCCC1 ZINC000769146419 627526042 /nfs/dbraw/zinc/52/60/42/627526042.db2.gz XPUXPUNKRDNMDC-UHFFFAOYSA-N 1 1 267.376 3.331 20 30 CGEDMO N#CCC[N@@H+](Cc1cncc2ccccc21)CC1CC1 ZINC000769335515 627543921 /nfs/dbraw/zinc/54/39/21/627543921.db2.gz LBRLQCSNIQWKQR-UHFFFAOYSA-N 1 1 265.360 3.360 20 30 CGEDMO N#CCC[N@H+](Cc1cncc2ccccc21)CC1CC1 ZINC000769335515 627543924 /nfs/dbraw/zinc/54/39/24/627543924.db2.gz LBRLQCSNIQWKQR-UHFFFAOYSA-N 1 1 265.360 3.360 20 30 CGEDMO CC(C)C[N@H+](CCC#N)CCCC1CCOCC1 ZINC000769434594 627551706 /nfs/dbraw/zinc/55/17/06/627551706.db2.gz IAEWKKLQCVRLSF-UHFFFAOYSA-N 1 1 252.402 3.065 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC[C@]3(CCCOC3)C2)cc1 ZINC000769485944 627559211 /nfs/dbraw/zinc/55/92/11/627559211.db2.gz QRDFUEISUADBGK-IBGZPJMESA-N 1 1 299.414 3.091 20 30 CGEDMO C#CC[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)C1CCCC1 ZINC000769529341 627563124 /nfs/dbraw/zinc/56/31/24/627563124.db2.gz IKXYLBWALMJQMU-UHFFFAOYSA-N 1 1 297.377 3.389 20 30 CGEDMO C=CC[C@H]1[N@H+](CCC2OCCCO2)CCCC1(C)C ZINC000769954600 627592562 /nfs/dbraw/zinc/59/25/62/627592562.db2.gz VHZARNWNMKABHR-CQSZACIVSA-N 1 1 267.413 3.206 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000769962708 627592943 /nfs/dbraw/zinc/59/29/43/627592943.db2.gz HZRFGSFBTXMRQX-NSHDSACASA-N 1 1 271.282 3.081 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000769977595 627594288 /nfs/dbraw/zinc/59/42/88/627594288.db2.gz MFYFRVOGZWVYAY-ZDUSSCGKSA-N 1 1 288.391 3.487 20 30 CGEDMO CCCCCCCC[N@@H+](C)C1(C(N)=O)CCCC1 ZINC000772226572 627774748 /nfs/dbraw/zinc/77/47/48/627774748.db2.gz AWFNVGGUFGRNAX-UHFFFAOYSA-N 1 1 254.418 3.077 20 30 CGEDMO CC(=[NH+]N[C@@H]1CCCCC1(C)C)c1csc(N)n1 ZINC000773126415 627859932 /nfs/dbraw/zinc/85/99/32/627859932.db2.gz VRIGFIRXQCKYNL-LLVKDONJSA-N 1 1 266.414 3.008 20 30 CGEDMO C[C@@H](C1CCCCC1)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000773975153 627934357 /nfs/dbraw/zinc/93/43/57/627934357.db2.gz GVFMIPRDZAVQPJ-KSSFIOAISA-N 1 1 286.419 3.492 20 30 CGEDMO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)c1cccc(C#N)c1 ZINC000774042814 627939893 /nfs/dbraw/zinc/93/98/93/627939893.db2.gz BPYHSUMFIPKSMB-XJKSGUPXSA-N 1 1 286.375 3.037 20 30 CGEDMO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)c1cccc(C#N)c1 ZINC000774042814 627939897 /nfs/dbraw/zinc/93/98/97/627939897.db2.gz BPYHSUMFIPKSMB-XJKSGUPXSA-N 1 1 286.375 3.037 20 30 CGEDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000774618482 628009600 /nfs/dbraw/zinc/00/96/00/628009600.db2.gz LLIVYQVCRYQEIK-KSSFIOAISA-N 1 1 294.402 3.500 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000775182428 628069558 /nfs/dbraw/zinc/06/95/58/628069558.db2.gz FBONLNBRCUNYJM-SECBINFHSA-N 1 1 259.246 3.298 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccccc1OC1CCCC1 ZINC000775183579 628071175 /nfs/dbraw/zinc/07/11/75/628071175.db2.gz PGNXLBPQFMVNCT-CQSZACIVSA-N 1 1 257.377 3.462 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)CCCCC1 ZINC000874826438 634627765 /nfs/dbraw/zinc/62/77/65/634627765.db2.gz OBSCJMGYFGNARJ-HZPDHXFCSA-N 1 1 290.451 3.208 20 30 CGEDMO C[C@@H]1CCC[N@@H+]1CCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000775396061 628090023 /nfs/dbraw/zinc/09/00/23/628090023.db2.gz WYOBDWVKNJXVPX-RDTXWAMCSA-N 1 1 283.419 3.010 20 30 CGEDMO C[C@@H]1CCC[N@H+]1CCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000775396061 628090026 /nfs/dbraw/zinc/09/00/26/628090026.db2.gz WYOBDWVKNJXVPX-RDTXWAMCSA-N 1 1 283.419 3.010 20 30 CGEDMO C#CC[C@@H]([NH2+]Cc1cn2cc(C)ccc2n1)c1ccccc1 ZINC000775403581 628091823 /nfs/dbraw/zinc/09/18/23/628091823.db2.gz HNOUKMLXRMZEIY-GOSISDBHSA-N 1 1 289.382 3.497 20 30 CGEDMO C=CC[N@@H+](CC1CCN(C(=O)C(C)(C)C)CC1)C(C)C ZINC000775572493 628109067 /nfs/dbraw/zinc/10/90/67/628109067.db2.gz RYFSSYYXYHQODD-UHFFFAOYSA-N 1 1 280.456 3.168 20 30 CGEDMO Cc1cc(Cl)cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)c1O ZINC000775733997 628130018 /nfs/dbraw/zinc/13/00/18/628130018.db2.gz XPPNUPHCXBCLBE-JTQLQIEISA-N 1 1 278.783 3.478 20 30 CGEDMO Cc1cc(Cl)cc(C[N@H+](C[C@@H](C)C#N)C2CC2)c1O ZINC000775733997 628130019 /nfs/dbraw/zinc/13/00/19/628130019.db2.gz XPPNUPHCXBCLBE-JTQLQIEISA-N 1 1 278.783 3.478 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CCOCC2(CCCC2)C1 ZINC000776017788 628158446 /nfs/dbraw/zinc/15/84/46/628158446.db2.gz RMCRBTCVOFDSLX-UHFFFAOYSA-N 1 1 299.414 3.091 20 30 CGEDMO Cc1cc(C#N)ccc1CO[NH+]=C(N)CCc1ccccc1 ZINC000776742643 628229433 /nfs/dbraw/zinc/22/94/33/628229433.db2.gz HXYYWXLFFRMJLR-UHFFFAOYSA-N 1 1 293.370 3.498 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000777439850 628270075 /nfs/dbraw/zinc/27/00/75/628270075.db2.gz PEWZSIJHGGOBBC-SFHVURJKSA-N 1 1 299.414 3.090 20 30 CGEDMO C#CC[N@H+](C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCc2ccccc21 ZINC000778984200 628381019 /nfs/dbraw/zinc/38/10/19/628381019.db2.gz AYPNWHXROQOZKZ-FRQCXROJSA-N 1 1 283.415 3.424 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000778982004 628381161 /nfs/dbraw/zinc/38/11/61/628381161.db2.gz IPBHMGYTXHKINQ-SOUVJXGZSA-N 1 1 294.439 3.023 20 30 CGEDMO C#CCOc1ccccc1C[NH2+][C@@H](CC)c1ccc(F)cn1 ZINC000779104811 628388635 /nfs/dbraw/zinc/38/86/35/628388635.db2.gz ORCXCQHRILMEDQ-INIZCTEOSA-N 1 1 298.361 3.474 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cc(Br)cc(C)c1O ZINC000779148712 628390060 /nfs/dbraw/zinc/39/00/60/628390060.db2.gz JDIYSXUJLIXTHD-UHFFFAOYSA-N 1 1 284.197 3.471 20 30 CGEDMO C#CCCC[NH2+][C@H](CCc1ccccc1)C(F)F ZINC000779398816 628411003 /nfs/dbraw/zinc/41/10/03/628411003.db2.gz IEQLKSQPROSCRS-CQSZACIVSA-N 1 1 251.320 3.256 20 30 CGEDMO c1ccc2c(c1)OC1(CCCC1)CC2=NNc1cc[nH+]cc1 ZINC000779807198 628433008 /nfs/dbraw/zinc/43/30/08/628433008.db2.gz OWXVWPMNPFLDQT-UHFFFAOYSA-N 1 1 293.370 3.415 20 30 CGEDMO CC(C)(C)c1ccc(C=NNc2cc[nH+]cc2)s1 ZINC000779810456 628434185 /nfs/dbraw/zinc/43/41/85/628434185.db2.gz BMRSBCTZFCICLK-UHFFFAOYSA-N 1 1 259.378 3.309 20 30 CGEDMO CCCCCC[C@@H](C)NC(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000780332295 628482901 /nfs/dbraw/zinc/48/29/01/628482901.db2.gz DHJSXZXMDBQRFL-OAHLLOKOSA-N 1 1 293.455 3.087 20 30 CGEDMO C=C(Br)C[N@@H+](CCCCC)CCCOC ZINC000780379300 628485659 /nfs/dbraw/zinc/48/56/59/628485659.db2.gz MUJUNKLYLDAENA-UHFFFAOYSA-N 1 1 278.234 3.424 20 30 CGEDMO C#CCCCCCC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000780377834 628485678 /nfs/dbraw/zinc/48/56/78/628485678.db2.gz HKFCJGPWDBKLRU-QGZVFWFLSA-N 1 1 292.467 3.198 20 30 CGEDMO C#CCCC[N@@H+]1[C@H](C)c2ccc(OC)cc2C[C@@H]1C ZINC000782097405 628615545 /nfs/dbraw/zinc/61/55/45/628615545.db2.gz JTOCKRZLHIUFIB-UONOGXRCSA-N 1 1 257.377 3.416 20 30 CGEDMO COc1ccc(C(N)=[NH+]OCCCc2ccsc2)cc1 ZINC000782948741 628669638 /nfs/dbraw/zinc/66/96/38/628669638.db2.gz WNALRESTYPCSIZ-UHFFFAOYSA-N 1 1 290.388 3.026 20 30 CGEDMO C=C[C@](C)(CC)C(=O)OCCCCn1cc[nH+]c1C ZINC000785770196 628887463 /nfs/dbraw/zinc/88/74/63/628887463.db2.gz VWVRCNZHBVWZRM-OAHLLOKOSA-N 1 1 264.369 3.117 20 30 CGEDMO C=CCC[N@H+](C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000786446008 628933537 /nfs/dbraw/zinc/93/35/37/628933537.db2.gz PQNJSLKJCVLVQL-UHFFFAOYSA-N 1 1 282.428 3.141 20 30 CGEDMO CC(C)(C#N)CCCOC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000786881094 628968295 /nfs/dbraw/zinc/96/82/95/628968295.db2.gz SCFFDINEBIVJLR-OAHLLOKOSA-N 1 1 292.423 3.267 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CC[C@@H](C(C)(C)C)C[C@H]1C ZINC000805838777 629013285 /nfs/dbraw/zinc/01/32/85/629013285.db2.gz HHOMCGSVAZWTOJ-MGPQQGTHSA-N 1 1 252.402 3.062 20 30 CGEDMO CCCCCCCCNC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000787474253 629014018 /nfs/dbraw/zinc/01/40/18/629014018.db2.gz QXWVGSANHFUCIR-HNNXBMFYSA-N 1 1 266.429 3.090 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCc3c(cccc3OC)C2)cc1 ZINC000787775018 629029174 /nfs/dbraw/zinc/02/91/74/629029174.db2.gz JWWPWTALMULNBJ-UHFFFAOYSA-N 1 1 277.367 3.235 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)[C@H](C)c2ccncc2)cc1 ZINC000787773677 629029399 /nfs/dbraw/zinc/02/93/99/629029399.db2.gz CPPPVJCALHVQLB-CQSZACIVSA-N 1 1 250.345 3.256 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000787997348 629038494 /nfs/dbraw/zinc/03/84/94/629038494.db2.gz KSCJTXKMSOEAPU-UHFFFAOYSA-N 1 1 251.757 3.062 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000787995696 629038521 /nfs/dbraw/zinc/03/85/21/629038521.db2.gz QAARNXDFYQAPNY-INIZCTEOSA-N 1 1 280.412 3.038 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1cc(F)cc(Br)c1 ZINC000787997345 629038579 /nfs/dbraw/zinc/03/85/79/629038579.db2.gz KNHVLMHAGZNDNR-UHFFFAOYSA-N 1 1 284.172 3.432 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1ccccc1Br ZINC000787996952 629038628 /nfs/dbraw/zinc/03/86/28/629038628.db2.gz CXPDGJRGVHNFMU-UHFFFAOYSA-N 1 1 266.182 3.293 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1ccccc1Br ZINC000787996952 629038630 /nfs/dbraw/zinc/03/86/30/629038630.db2.gz CXPDGJRGVHNFMU-UHFFFAOYSA-N 1 1 266.182 3.293 20 30 CGEDMO CCN(C)c1ccc(C=[NH+]Nc2ccc(C)cc2)cn1 ZINC000790136147 629185445 /nfs/dbraw/zinc/18/54/45/629185445.db2.gz BLQCVXGXBLXUNX-UHFFFAOYSA-N 1 1 268.364 3.292 20 30 CGEDMO Cn1cc[nH+]c1[N-][NH+]=CC=C1N(C)c2ccccc2C1(C)C ZINC000790302093 629201626 /nfs/dbraw/zinc/20/16/26/629201626.db2.gz MZGATYCODIBMJN-JQZWTCMUSA-N 1 1 295.390 3.129 20 30 CGEDMO CCCCCCCCC[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000792230906 629350366 /nfs/dbraw/zinc/35/03/66/629350366.db2.gz ILWUJOUJDHYRLB-INIZCTEOSA-N 1 1 295.471 3.227 20 30 CGEDMO CCCCCCCCC[N@H+]1CCC[C@H](C(=O)NC)C1 ZINC000792222124 629350600 /nfs/dbraw/zinc/35/06/00/629350600.db2.gz QFHKVHVQGXFCQT-HNNXBMFYSA-N 1 1 268.445 3.195 20 30 CGEDMO CCCCCCCCC[N@H+]1CCOC[C@H]1C[C@@H](C)O ZINC000792292254 629354751 /nfs/dbraw/zinc/35/47/51/629354751.db2.gz VVYGJSQKWJTAIZ-HZPDHXFCSA-N 1 1 271.445 3.209 20 30 CGEDMO CCCCCCCCC[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000792292456 629354920 /nfs/dbraw/zinc/35/49/20/629354920.db2.gz XIXAQCVJKYNQJQ-INIZCTEOSA-N 1 1 269.429 3.228 20 30 CGEDMO CCCCCCCC[NH+]1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000792387163 629358394 /nfs/dbraw/zinc/35/83/94/629358394.db2.gz CFFUXUZHCLWVCB-ZIAGYGMSSA-N 1 1 259.459 3.188 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2ccnc(Cl)c2F)C1 ZINC000862440009 629373404 /nfs/dbraw/zinc/37/34/04/629373404.db2.gz DEGYWBHLYHMZHG-JTQLQIEISA-N 1 1 254.736 3.272 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccnc(Cl)c2F)C1 ZINC000862440009 629373406 /nfs/dbraw/zinc/37/34/06/629373406.db2.gz DEGYWBHLYHMZHG-JTQLQIEISA-N 1 1 254.736 3.272 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cccc(Br)c2)C1 ZINC000862442497 629375113 /nfs/dbraw/zinc/37/51/13/629375113.db2.gz CVIOEHUSLKOFIE-GFCCVEGCSA-N 1 1 278.193 3.294 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cnc(C(C)(C)C)s2)C1 ZINC000862443807 629376528 /nfs/dbraw/zinc/37/65/28/629376528.db2.gz USXLOPGLRHEDKQ-GFCCVEGCSA-N 1 1 262.422 3.286 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2ccccc2OCC2CC2)C1 ZINC000862443498 629376687 /nfs/dbraw/zinc/37/66/87/629376687.db2.gz PYIHRMBVVDKBLE-HNNXBMFYSA-N 1 1 269.388 3.321 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cnc(C(C)(C)C)s2)C1 ZINC000862443808 629376785 /nfs/dbraw/zinc/37/67/85/629376785.db2.gz USXLOPGLRHEDKQ-LBPRGKRZSA-N 1 1 262.422 3.286 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cnc(CC(C)C)s2)C1 ZINC000862445302 629377550 /nfs/dbraw/zinc/37/75/50/629377550.db2.gz QDKYQRDWYWTTCM-CYBMUJFWSA-N 1 1 262.422 3.187 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000862444694 629377576 /nfs/dbraw/zinc/37/75/76/629377576.db2.gz FMRGPXGBVPWSJY-AWEZNQCLSA-N 1 1 250.345 3.080 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2ccc3c(c2)OCCCCO3)C1 ZINC000862447045 629379665 /nfs/dbraw/zinc/37/96/65/629379665.db2.gz HGCJARVUWKHXII-OAHLLOKOSA-N 1 1 285.387 3.083 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000862445508 629379692 /nfs/dbraw/zinc/37/96/92/629379692.db2.gz VQEPPKKMTBLSCP-CYBMUJFWSA-N 1 1 268.335 3.219 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000862445453 629379783 /nfs/dbraw/zinc/37/97/83/629379783.db2.gz UGSOJNBRGKAMQQ-OAHLLOKOSA-N 1 1 293.370 3.114 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(OCC)cc2C)C1 ZINC000862447294 629380029 /nfs/dbraw/zinc/38/00/29/629380029.db2.gz LIFLEAKCUCDSRA-OAHLLOKOSA-N 1 1 257.377 3.239 20 30 CGEDMO C#CC[C@H]1CC[N@H+](C[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC000862447434 629380700 /nfs/dbraw/zinc/38/07/00/629380700.db2.gz MSFJNAMDGLTANA-OLZOCXBDSA-N 1 1 263.331 3.414 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792897401 629391517 /nfs/dbraw/zinc/39/15/17/629391517.db2.gz AWJPMBFYODUGMD-DTWKUNHWSA-N 1 1 254.588 3.255 20 30 CGEDMO CCOCCC[N@H+]1CCC(=NOC[C@@H](C)CC)[C@@H](C)C1 ZINC000793163992 629420658 /nfs/dbraw/zinc/42/06/58/629420658.db2.gz OXYLKMFDYFIBAL-GJZGRUSLSA-N 1 1 284.444 3.174 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000794575227 629558178 /nfs/dbraw/zinc/55/81/78/629558178.db2.gz UKGJKUWDRZYIKL-CYBMUJFWSA-N 1 1 285.309 3.082 20 30 CGEDMO C#CCC[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000794803815 629578824 /nfs/dbraw/zinc/57/88/24/629578824.db2.gz QEWINAIKUSBONR-WFASDCNBSA-N 1 1 297.320 3.491 20 30 CGEDMO C#CCC[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000794803815 629578828 /nfs/dbraw/zinc/57/88/28/629578828.db2.gz QEWINAIKUSBONR-WFASDCNBSA-N 1 1 297.320 3.491 20 30 CGEDMO CC(C)c1[nH+]c(CN=Nc2cccc(F)n2)c2ccccn21 ZINC000795008651 629621177 /nfs/dbraw/zinc/62/11/77/629621177.db2.gz NOEMYOCBVBGNFZ-UHFFFAOYSA-N 1 1 297.337 3.438 20 30 CGEDMO C#CCn1cc(-c2ccc(C[N@@H+]3CCC[C@H]3C)cc2)cn1 ZINC000863690092 629647674 /nfs/dbraw/zinc/64/76/74/629647674.db2.gz JYMDMGWWYMHDGY-OAHLLOKOSA-N 1 1 279.387 3.168 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000796042346 629739405 /nfs/dbraw/zinc/73/94/05/629739405.db2.gz XOAZDXMKTFUKQZ-QGZVFWFLSA-N 1 1 294.439 3.428 20 30 CGEDMO C#CCN(Cc1ccccc1)Cc1cc(OC)cc(C)[nH+]1 ZINC000796640152 629809082 /nfs/dbraw/zinc/80/90/82/629809082.db2.gz GPFXXOZJQZGZMF-UHFFFAOYSA-N 1 1 280.371 3.034 20 30 CGEDMO CCCCCCCCC[N@H+]1CCOC[C@]12CCOC2 ZINC000799348024 630173104 /nfs/dbraw/zinc/17/31/04/630173104.db2.gz WCVMUCRCIIPFPR-MRXNPFEDSA-N 1 1 269.429 3.228 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000801550472 630342937 /nfs/dbraw/zinc/34/29/37/630342937.db2.gz BAKUJBCPOVEJEU-CQSZACIVSA-N 1 1 276.428 3.209 20 30 CGEDMO CCCCCCC[N@H+]1[C@H]2C[C@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000801601126 630347766 /nfs/dbraw/zinc/34/77/66/630347766.db2.gz YLUZMZCYSILGOH-FXUDXRNXSA-N 1 1 297.439 3.140 20 30 CGEDMO CCC[N@@H+](CCO[C@H](C)C#N)Cc1ccc(C)cc1 ZINC000801909970 630363873 /nfs/dbraw/zinc/36/38/73/630363873.db2.gz JIMZXTDIJCAXGZ-OAHLLOKOSA-N 1 1 260.381 3.136 20 30 CGEDMO CCC[N@@H+](CCO[C@H](C)C#N)[C@H]1CCc2ccccc21 ZINC000801913980 630365060 /nfs/dbraw/zinc/36/50/60/630365060.db2.gz QAOWQYLMKKFHGW-PBHICJAKSA-N 1 1 272.392 3.315 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000801913299 630365174 /nfs/dbraw/zinc/36/51/74/630365174.db2.gz SJSQWYXFTJTKIG-SWLSCSKDSA-N 1 1 278.783 3.406 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000801930128 630368839 /nfs/dbraw/zinc/36/88/39/630368839.db2.gz GOZHPNREPZQADY-CXAGYDPISA-N 1 1 270.376 3.067 20 30 CGEDMO C=CCCCCCCNC(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000807571082 630593343 /nfs/dbraw/zinc/59/33/43/630593343.db2.gz ZWSYCMKJYSTGNW-UHFFFAOYSA-N 1 1 295.471 3.249 20 30 CGEDMO C#Cc1ccc(CNCCC[N@H+](C)C2CCCCC2)cc1 ZINC000809602122 630758783 /nfs/dbraw/zinc/75/87/83/630758783.db2.gz QUSSGWGEZPQRLE-UHFFFAOYSA-N 1 1 284.447 3.412 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@](OC)(C(F)(F)F)C2)cc1 ZINC000809649573 630774453 /nfs/dbraw/zinc/77/44/53/630774453.db2.gz WTZRRGLQVGTCDE-HNNXBMFYSA-N 1 1 297.320 3.211 20 30 CGEDMO C#C[C@H](CC)NCC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000809686182 630781886 /nfs/dbraw/zinc/78/18/86/630781886.db2.gz YJPBJIHISFTBDJ-QGZVFWFLSA-N 1 1 272.436 3.146 20 30 CGEDMO C#C[C@H](CC)NCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000809686182 630781890 /nfs/dbraw/zinc/78/18/90/630781890.db2.gz YJPBJIHISFTBDJ-QGZVFWFLSA-N 1 1 272.436 3.146 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc2c[nH]nc2c1 ZINC000809715829 630789357 /nfs/dbraw/zinc/78/93/57/630789357.db2.gz HDAXGZDBYGEYDV-UHFFFAOYSA-N 1 1 275.355 3.198 20 30 CGEDMO C#CC[N@H+](Cc1cc(C#N)cs1)Cc1ccccc1 ZINC000809715900 630790340 /nfs/dbraw/zinc/79/03/40/630790340.db2.gz HSQXNDLAURPHBV-UHFFFAOYSA-N 1 1 266.369 3.255 20 30 CGEDMO C#CC[N@@H+](Cc1cc(C#N)cs1)Cc1ccccc1 ZINC000809715900 630790345 /nfs/dbraw/zinc/79/03/45/630790345.db2.gz HSQXNDLAURPHBV-UHFFFAOYSA-N 1 1 266.369 3.255 20 30 CGEDMO C=CCCCCC[C@@H](C)[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000810253202 630860385 /nfs/dbraw/zinc/86/03/85/630860385.db2.gz OBDQTBKHCFVTKH-KGLIPLIRSA-N 1 1 261.413 3.382 20 30 CGEDMO C=CCCC[C@@H](C)OC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810654481 630918743 /nfs/dbraw/zinc/91/87/43/630918743.db2.gz XAVOPMDSPHXRIQ-CJNGLKHVSA-N 1 1 285.403 3.487 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CC2(CCC2)[C@@H]1C1CC1 ZINC000811513500 631082606 /nfs/dbraw/zinc/08/26/06/631082606.db2.gz IVSYPQHFQRDNCU-SFHVURJKSA-N 1 1 281.399 3.463 20 30 CGEDMO C[C@@H]1C(N=Nc2cccc(F)n2)CC[N@H+]1Cc1ccccc1 ZINC000811650398 631098128 /nfs/dbraw/zinc/09/81/28/631098128.db2.gz XXLDIYQOYPUMLN-CYBMUJFWSA-N 1 1 298.365 3.283 20 30 CGEDMO C=CC[N@H+](Cn1nc(C(F)(F)F)cc1C)C(C)C ZINC000811735121 631115947 /nfs/dbraw/zinc/11/59/47/631115947.db2.gz LPJYMDOJKIYXOX-UHFFFAOYSA-N 1 1 261.291 3.064 20 30 CGEDMO C=CC[N@@H+](Cn1nc(C(F)(F)F)cc1C)C(C)C ZINC000811735121 631115952 /nfs/dbraw/zinc/11/59/52/631115952.db2.gz LPJYMDOJKIYXOX-UHFFFAOYSA-N 1 1 261.291 3.064 20 30 CGEDMO C=C(C)C[N@H+](C)CN1C[C@@H](c2cccc(Cl)c2)CC1=O ZINC000812288195 631235266 /nfs/dbraw/zinc/23/52/66/631235266.db2.gz JWYPDFDEHKWUFY-AWEZNQCLSA-N 1 1 292.810 3.121 20 30 CGEDMO C=C(C)C[N@@H+](C)CN1C[C@@H](c2cccc(Cl)c2)CC1=O ZINC000812288195 631235274 /nfs/dbraw/zinc/23/52/74/631235274.db2.gz JWYPDFDEHKWUFY-AWEZNQCLSA-N 1 1 292.810 3.121 20 30 CGEDMO C=C(CC)C[N@@H+](C)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000812833997 631323202 /nfs/dbraw/zinc/32/32/02/631323202.db2.gz FYADCHUPKBXWSL-CQSZACIVSA-N 1 1 282.428 3.188 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C(=O)OC)cs1 ZINC000878992182 635674112 /nfs/dbraw/zinc/67/41/12/635674112.db2.gz SYSRVQUCJBGGRB-BETUJISGSA-N 1 1 277.389 3.218 20 30 CGEDMO CC(=[NH+]N[C@@H](C)c1ccccc1)c1cc(N)ccc1F ZINC000814815022 631647837 /nfs/dbraw/zinc/64/78/37/631647837.db2.gz JPQBAVWEYSJWPT-NSHDSACASA-N 1 1 271.339 3.483 20 30 CGEDMO C=CCCC(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000816454708 631985814 /nfs/dbraw/zinc/98/58/14/631985814.db2.gz IEAYMDNXPJCSRE-WBVHZDCISA-N 1 1 287.403 3.406 20 30 CGEDMO C[N@@H+](CCCOC(C)(C)C)CCc1cccc(C#N)c1 ZINC000879433802 635787717 /nfs/dbraw/zinc/78/77/17/635787717.db2.gz GBWDZTMTKMRKKV-UHFFFAOYSA-N 1 1 274.408 3.238 20 30 CGEDMO CCCCCCCC[C@@H](C)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000823027298 633051128 /nfs/dbraw/zinc/05/11/28/633051128.db2.gz HGESYLQHLJFBIG-HZPDHXFCSA-N 1 1 282.472 3.441 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000880053701 635905400 /nfs/dbraw/zinc/90/54/00/635905400.db2.gz QOKKLOVJKUMJQM-SMDDNHRTSA-N 1 1 298.308 3.272 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000880053701 635905403 /nfs/dbraw/zinc/90/54/03/635905403.db2.gz QOKKLOVJKUMJQM-SMDDNHRTSA-N 1 1 298.308 3.272 20 30 CGEDMO COc1cnccc1[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866344970 633090502 /nfs/dbraw/zinc/09/05/02/633090502.db2.gz DINKFAYMXNYAJI-NEPJUHHUSA-N 1 1 297.358 3.079 20 30 CGEDMO N#CC1CC[NH+](Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000823423472 633102648 /nfs/dbraw/zinc/10/26/48/633102648.db2.gz KDTUXBFGTMPEJM-UHFFFAOYSA-N 1 1 275.739 3.217 20 30 CGEDMO C[C@@H]([NH2+][C@H]1COCc2ccccc21)c1cccc(C#N)c1O ZINC000866377480 633112254 /nfs/dbraw/zinc/11/22/54/633112254.db2.gz VEOLTYMVSPCICF-PXAZEXFGSA-N 1 1 294.354 3.186 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1c[nH]c(C(=O)OCc2ccccc2)c1 ZINC000824114125 633199825 /nfs/dbraw/zinc/19/98/25/633199825.db2.gz POUQDCFCULXBGI-UHFFFAOYSA-N 1 1 298.386 3.380 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1cc2ccccc2cc1OC)[C@H]1CCCO1 ZINC000824196101 633211077 /nfs/dbraw/zinc/21/10/77/633211077.db2.gz ONXOBZRVRAJFOQ-QZTJIDSGSA-N 1 1 295.382 3.119 20 30 CGEDMO Cc1ccc(CN2CC[C@@](C[NH3+])(C(C)(C)C)C2)cc1C#N ZINC000866706249 633234091 /nfs/dbraw/zinc/23/40/91/633234091.db2.gz AUWOYYUSNWFOME-SFHVURJKSA-N 1 1 285.435 3.064 20 30 CGEDMO CC#CCCCC(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000826661455 633424139 /nfs/dbraw/zinc/42/41/39/633424139.db2.gz UHGGYHXXVZTOCO-QGZVFWFLSA-N 1 1 290.451 3.093 20 30 CGEDMO N#CCC1C[NH+](Cc2ccc(SC(F)F)cc2)C1 ZINC000826990553 633447311 /nfs/dbraw/zinc/44/73/11/633447311.db2.gz IRIAXFAKEOCXFN-UHFFFAOYSA-N 1 1 268.332 3.347 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1c(OC)ccc2ccccc21 ZINC000827818669 633521274 /nfs/dbraw/zinc/52/12/74/633521274.db2.gz UOZVAFZWKRPFEG-UHFFFAOYSA-N 1 1 297.398 3.320 20 30 CGEDMO C=CCCCC[N@H+]1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000828032457 633551404 /nfs/dbraw/zinc/55/14/04/633551404.db2.gz WCVZBUPSYIZTGU-CABCVRRESA-N 1 1 295.448 3.229 20 30 CGEDMO C=CCCCC[N@@H+]1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000828032457 633551406 /nfs/dbraw/zinc/55/14/06/633551406.db2.gz WCVZBUPSYIZTGU-CABCVRRESA-N 1 1 295.448 3.229 20 30 CGEDMO C=CCCCC[N@H+]1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000828032460 633551689 /nfs/dbraw/zinc/55/16/89/633551689.db2.gz WCVZBUPSYIZTGU-LSDHHAIUSA-N 1 1 295.448 3.229 20 30 CGEDMO C=CCCCC[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000828032460 633551695 /nfs/dbraw/zinc/55/16/95/633551695.db2.gz WCVZBUPSYIZTGU-LSDHHAIUSA-N 1 1 295.448 3.229 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000828145390 633572711 /nfs/dbraw/zinc/57/27/11/633572711.db2.gz FLLMJKRTINSVBZ-OAHLLOKOSA-N 1 1 287.407 3.088 20 30 CGEDMO C=CC1(CC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CCCCC1 ZINC000828510800 633622396 /nfs/dbraw/zinc/62/23/96/633622396.db2.gz KAYCIDFJFHJWBD-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO N#CCCCC(=O)OC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000870734260 633637690 /nfs/dbraw/zinc/63/76/90/633637690.db2.gz URFPODICKCGIEB-OAHLLOKOSA-N 1 1 278.396 3.021 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CCC1)c1cc(F)c(F)c(F)c1 ZINC000828688939 633642084 /nfs/dbraw/zinc/64/20/84/633642084.db2.gz YPRUEAGREPNRIC-SECBINFHSA-N 1 1 268.282 3.448 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc([C@H](C)C(F)(F)F)cc1 ZINC000829159439 633706253 /nfs/dbraw/zinc/70/62/53/633706253.db2.gz RFRRELVNSKFSLV-NSHDSACASA-N 1 1 255.283 3.417 20 30 CGEDMO C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC000829198621 633710848 /nfs/dbraw/zinc/71/08/48/633710848.db2.gz CPFSSBJBQKFSHR-DLBZAZTESA-N 1 1 299.414 3.067 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(C)cc3)o2)C1 ZINC000829773554 633780090 /nfs/dbraw/zinc/78/00/90/633780090.db2.gz FSUMZAKIDMQZQM-OAHLLOKOSA-N 1 1 295.386 3.280 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2ccc(Br)cn2)C1 ZINC000829785391 633784268 /nfs/dbraw/zinc/78/42/68/633784268.db2.gz VKHTUOCFYKJKOA-GFCCVEGCSA-N 1 1 293.208 3.079 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(Br)cn2)C1 ZINC000829785391 633784272 /nfs/dbraw/zinc/78/42/72/633784272.db2.gz VKHTUOCFYKJKOA-GFCCVEGCSA-N 1 1 293.208 3.079 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2ccc(Br)cn2)C1 ZINC000829785392 633784639 /nfs/dbraw/zinc/78/46/39/633784639.db2.gz VKHTUOCFYKJKOA-LBPRGKRZSA-N 1 1 293.208 3.079 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(Br)cn2)C1 ZINC000829785392 633784650 /nfs/dbraw/zinc/78/46/50/633784650.db2.gz VKHTUOCFYKJKOA-LBPRGKRZSA-N 1 1 293.208 3.079 20 30 CGEDMO C#CCCCN1C[C@@H](C)[N@H+](CCCC#C)CC12CCCC2 ZINC000830924205 633898783 /nfs/dbraw/zinc/89/87/83/633898783.db2.gz UTHHZRDBKKBWGI-GOSISDBHSA-N 1 1 286.463 3.132 20 30 CGEDMO C#CCCCN1CC2(CCCC2)[N@@H+](CCCC#C)C[C@H]1C ZINC000830924205 633898785 /nfs/dbraw/zinc/89/87/85/633898785.db2.gz UTHHZRDBKKBWGI-GOSISDBHSA-N 1 1 286.463 3.132 20 30 CGEDMO C#CCCCN1CC2(CCCC2)[N@H+](CCCC#C)C[C@H]1C ZINC000830924205 633898787 /nfs/dbraw/zinc/89/87/87/633898787.db2.gz UTHHZRDBKKBWGI-GOSISDBHSA-N 1 1 286.463 3.132 20 30 CGEDMO C[C@H]([NH2+]CC1(CC#N)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872068856 633991177 /nfs/dbraw/zinc/99/11/77/633991177.db2.gz JGZPMTFKALKMEM-JTQLQIEISA-N 1 1 277.299 3.078 20 30 CGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(CC2(C)CCCC2)no1 ZINC000872182446 634081224 /nfs/dbraw/zinc/08/12/24/634081224.db2.gz MLASYVCXHLIDAY-SNVBAGLBSA-N 1 1 269.776 3.335 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](OC3CCC3)CC2)o1 ZINC000872262165 634091860 /nfs/dbraw/zinc/09/18/60/634091860.db2.gz RNBJVEZAHJPJDE-CQSZACIVSA-N 1 1 274.364 3.075 20 30 CGEDMO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)n3ccnc32)cc1 ZINC000834896588 634273580 /nfs/dbraw/zinc/27/35/80/634273580.db2.gz LQDXFAUSFZQYAO-GRDNDAEWSA-N 1 1 295.386 3.252 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C)Cc1ccn(-c2ccccc2)n1 ZINC000876621739 634869594 /nfs/dbraw/zinc/86/95/94/634869594.db2.gz HCTPYKAYMLWKFO-HNNXBMFYSA-N 1 1 282.391 3.244 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1ccc(Cl)nn1 ZINC000876749029 634892023 /nfs/dbraw/zinc/89/20/23/634892023.db2.gz HJDNBAHUOMLYGT-UHFFFAOYSA-N 1 1 253.777 3.308 20 30 CGEDMO CSCC[C@H](C)[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC000126352383 634985672 /nfs/dbraw/zinc/98/56/72/634985672.db2.gz SREYTPHADOSAAL-AWEZNQCLSA-N 1 1 292.448 3.401 20 30 CGEDMO Cc1cc([NH2+]C[C@@H](C)CCC#N)ccc1N1CCOCC1 ZINC000877195073 635011695 /nfs/dbraw/zinc/01/16/95/635011695.db2.gz CKEVDVPIOAMAFV-AWEZNQCLSA-N 1 1 287.407 3.183 20 30 CGEDMO C=CC(C)(C)CCCNC(=O)[C@H]([NH3+])c1ccc(F)cc1F ZINC000877304381 635021765 /nfs/dbraw/zinc/02/17/65/635021765.db2.gz ZOBLOMMLGJKXFY-CQSZACIVSA-N 1 1 296.361 3.073 20 30 CGEDMO C[C@H](C#N)C[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000877321976 635025539 /nfs/dbraw/zinc/02/55/39/635025539.db2.gz VKSOSHITLAOANI-GFCCVEGCSA-N 1 1 289.379 3.283 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc2c(ccnc2Cl)o1 ZINC000877465121 635047419 /nfs/dbraw/zinc/04/74/19/635047419.db2.gz PZSSBPFDYAHWNX-UHFFFAOYSA-N 1 1 250.729 3.489 20 30 CGEDMO C[C@@H](CCC#N)C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000877496160 635060113 /nfs/dbraw/zinc/06/01/13/635060113.db2.gz MRNKTPQEQAZHQZ-PKOBYXMFSA-N 1 1 299.462 3.428 20 30 CGEDMO C[C@@H](CCC#N)C[NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000877496160 635060118 /nfs/dbraw/zinc/06/01/18/635060118.db2.gz MRNKTPQEQAZHQZ-PKOBYXMFSA-N 1 1 299.462 3.428 20 30 CGEDMO C#C[C@H](CC)N[C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877513318 635065846 /nfs/dbraw/zinc/06/58/46/635065846.db2.gz RBNHCXCNTUIPBG-AOIWGVFYSA-N 1 1 282.431 3.356 20 30 CGEDMO C#C[C@H](CC)N[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877513318 635065855 /nfs/dbraw/zinc/06/58/55/635065855.db2.gz RBNHCXCNTUIPBG-AOIWGVFYSA-N 1 1 282.431 3.356 20 30 CGEDMO C#C[C@@H](CC)[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC000877512889 635066132 /nfs/dbraw/zinc/06/61/32/635066132.db2.gz FHICQPPEHZIBNN-JTQLQIEISA-N 1 1 293.164 3.092 20 30 CGEDMO C#C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1F ZINC000877519847 635068672 /nfs/dbraw/zinc/06/86/72/635068672.db2.gz ZSYHKOODFJSCFK-RBOXIYTFSA-N 1 1 294.801 3.226 20 30 CGEDMO C#CCCCCCC[N@@H+]1CC[C@@H](N2CCCC2)[C@@H]1C ZINC000877521877 635070927 /nfs/dbraw/zinc/07/09/27/635070927.db2.gz JYQDKUMOJWRFQD-DLBZAZTESA-N 1 1 262.441 3.129 20 30 CGEDMO C#CCCCCCCN1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000877521877 635070931 /nfs/dbraw/zinc/07/09/31/635070931.db2.gz JYQDKUMOJWRFQD-DLBZAZTESA-N 1 1 262.441 3.129 20 30 CGEDMO CSC[C@H]1CCC[N@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877548083 635084366 /nfs/dbraw/zinc/08/43/66/635084366.db2.gz QNPZULTUXPAYOU-NSHDSACASA-N 1 1 295.839 3.182 20 30 CGEDMO CSC[C@H]1CCC[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877548083 635084373 /nfs/dbraw/zinc/08/43/73/635084373.db2.gz QNPZULTUXPAYOU-NSHDSACASA-N 1 1 295.839 3.182 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@H](COC)CC1 ZINC000877577353 635099234 /nfs/dbraw/zinc/09/92/34/635099234.db2.gz WDZIPIFDXKAUPW-INIZCTEOSA-N 1 1 251.414 3.319 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(C(F)F)nc2)C1 ZINC000877605714 635108620 /nfs/dbraw/zinc/10/86/20/635108620.db2.gz WMKOJSSLFSAVEK-GFCCVEGCSA-N 1 1 264.319 3.255 20 30 CGEDMO Cc1nc(C)c(C[N@@H+](C)CCc2cccc(C#N)c2)s1 ZINC000877704441 635157260 /nfs/dbraw/zinc/15/72/60/635157260.db2.gz OVIPPJPQSAXRNK-UHFFFAOYSA-N 1 1 285.416 3.306 20 30 CGEDMO COc1ccc([C@@H]2C[N@@H+](C[C@@H](C)CCC#N)CCO2)cc1 ZINC000877757270 635186027 /nfs/dbraw/zinc/18/60/27/635186027.db2.gz HNGVGGJPJXPVRQ-YOEHRIQHSA-N 1 1 288.391 3.008 20 30 CGEDMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000841493194 635186397 /nfs/dbraw/zinc/18/63/97/635186397.db2.gz WJLNPNPCZOQMJN-UGSOOPFHSA-N 1 1 298.361 3.424 20 30 CGEDMO COc1cc([N+](=O)[O-])ccc1N[NH2+]C(C)=C1CC1(F)F ZINC000841621770 635199544 /nfs/dbraw/zinc/19/95/44/635199544.db2.gz FPXXGRYIAVWNOF-SECBINFHSA-N 1 1 285.250 3.046 20 30 CGEDMO FC(F)CNN=C1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000841627215 635200228 /nfs/dbraw/zinc/20/02/28/635200228.db2.gz ZSOMZLXTQBJYJS-HNNXBMFYSA-N 1 1 293.361 3.197 20 30 CGEDMO CC([NH2+]Nc1cncc(Br)c1)=C1CC1(F)F ZINC000841631912 635202933 /nfs/dbraw/zinc/20/29/33/635202933.db2.gz LQBNYEJMATYODA-SECBINFHSA-N 1 1 290.111 3.287 20 30 CGEDMO Cc1csc([C@@H]2CC[N@H+](C[C@@H](C)CCC#N)C2)n1 ZINC000877814486 635222938 /nfs/dbraw/zinc/22/29/38/635222938.db2.gz ROFKGYBHUZUKOW-WCQYABFASA-N 1 1 263.410 3.181 20 30 CGEDMO C=CC[C@@H](C)[N@@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000877947173 635283251 /nfs/dbraw/zinc/28/32/51/635283251.db2.gz KVJCLTFPKZJHNK-CQSZACIVSA-N 1 1 260.381 3.138 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@H+](C)CCC(C)C)c1ccccc1 ZINC000877975876 635302254 /nfs/dbraw/zinc/30/22/54/635302254.db2.gz RJPCJADVNBENPW-GOSISDBHSA-N 1 1 286.419 3.405 20 30 CGEDMO N#Cc1ccc(C[N@@H+](C[C@@H]2C[C@H]3CCC[C@H]3O2)C2CC2)cc1 ZINC000878002249 635315033 /nfs/dbraw/zinc/31/50/33/635315033.db2.gz RTHADHQJWXVRTE-NZSAHSFTSA-N 1 1 296.414 3.480 20 30 CGEDMO C[C@H]1C(=NNC23CC(C2)C3)CCC[N@H+]1Cc1ccccc1 ZINC000842544634 635397555 /nfs/dbraw/zinc/39/75/55/635397555.db2.gz WIMVUBALYHLFHX-NXVRBGIVSA-N 1 1 283.419 3.169 20 30 CGEDMO C[C@H]1C(=NNC23CC(C2)C3)CCC[N@@H+]1Cc1ccccc1 ZINC000842544634 635397561 /nfs/dbraw/zinc/39/75/61/635397561.db2.gz WIMVUBALYHLFHX-NXVRBGIVSA-N 1 1 283.419 3.169 20 30 CGEDMO CC[C@@H]1CC[N@@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878184614 635397989 /nfs/dbraw/zinc/39/79/89/635397989.db2.gz XXOUDEQTYWJKOV-AEFFLSMTSA-N 1 1 284.403 3.159 20 30 CGEDMO C=CC(C)(C)CC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000878243592 635429422 /nfs/dbraw/zinc/42/94/22/635429422.db2.gz GDKCYKXRMAFZOD-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO C#CCCCCC[N@H+](CC)CCc1nccs1 ZINC000878299314 635449627 /nfs/dbraw/zinc/44/96/27/635449627.db2.gz QPIMSMWWRZHHNV-UHFFFAOYSA-N 1 1 250.411 3.201 20 30 CGEDMO C=C/C=C\CC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000878322883 635461871 /nfs/dbraw/zinc/46/18/71/635461871.db2.gz QOKOMNSFGCCQMW-LIMHQNJXSA-N 1 1 268.360 3.064 20 30 CGEDMO C=C/C=C\CC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000878322883 635461876 /nfs/dbraw/zinc/46/18/76/635461876.db2.gz QOKOMNSFGCCQMW-LIMHQNJXSA-N 1 1 268.360 3.064 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@H+]1CC[C@@H](C2CC2)C1)c1ccccc1 ZINC000878324067 635461989 /nfs/dbraw/zinc/46/19/89/635461989.db2.gz HPCGTOYHUUFVSY-IEBWSBKVSA-N 1 1 296.414 3.159 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@H](C)[C@H](C)C1)c1ccccc1 ZINC000878328802 635463214 /nfs/dbraw/zinc/46/32/14/635463214.db2.gz OWBPXCOSZLYGEY-FRQCXROJSA-N 1 1 298.430 3.405 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1C[C@@H]1CCC2(CCOCC2)CO1 ZINC000878524640 635542082 /nfs/dbraw/zinc/54/20/82/635542082.db2.gz RTHMGNOUOOLGKB-HOTGVXAUSA-N 1 1 279.424 3.003 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)CC[C@@H]2CCCC2(F)F)n1 ZINC000878528003 635543348 /nfs/dbraw/zinc/54/33/48/635543348.db2.gz MSFCFCVYNSTBGV-AWEZNQCLSA-N 1 1 295.377 3.164 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000878886474 635650471 /nfs/dbraw/zinc/65/04/71/635650471.db2.gz KGRHFRUPVUDVRY-OLZOCXBDSA-N 1 1 256.340 3.438 20 30 CGEDMO CCCCCCCC[N@H+]1CCC[C@@H](c2nnc(N)o2)C1 ZINC000878945532 635662928 /nfs/dbraw/zinc/66/29/28/635662928.db2.gz MFVDJWAXFIWNIN-CYBMUJFWSA-N 1 1 280.416 3.192 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CC[C@@H](c3cccnc3)C2)cc1 ZINC000843418753 635663522 /nfs/dbraw/zinc/66/35/22/635663522.db2.gz KFZROXJMSHLJJF-GOSISDBHSA-N 1 1 262.356 3.052 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000843423453 635666933 /nfs/dbraw/zinc/66/69/33/635666933.db2.gz DTNYJSZUIPZPRL-GFCCVEGCSA-N 1 1 292.766 3.484 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000843424545 635668024 /nfs/dbraw/zinc/66/80/24/635668024.db2.gz VVJUQYKZIWPOQE-CVEARBPZSA-N 1 1 282.387 3.213 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc(OCC)ccc2O)C1 ZINC000843423728 635668225 /nfs/dbraw/zinc/66/82/25/635668225.db2.gz JAWAUIBCPJPHKB-CQSZACIVSA-N 1 1 273.376 3.026 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000843424336 635668762 /nfs/dbraw/zinc/66/87/62/635668762.db2.gz SBROUDQXTYMWIR-CQSZACIVSA-N 1 1 272.348 3.139 20 30 CGEDMO C#CC1CC[NH+](Cc2cscc2Br)CC1 ZINC000843426844 635671727 /nfs/dbraw/zinc/67/17/27/635671727.db2.gz LXWLLJYUZPPLDY-UHFFFAOYSA-N 1 1 284.222 3.356 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCCCCCNC(=O)CC1 ZINC000879256037 635739175 /nfs/dbraw/zinc/73/91/75/635739175.db2.gz VJVBEKUYXHLOJC-UHFFFAOYSA-N 1 1 293.455 3.089 20 30 CGEDMO C[N@H+](C[C@]1(C)CC1(Cl)Cl)[C@H]1CCC[C@H]1C#N ZINC000879309201 635752047 /nfs/dbraw/zinc/75/20/47/635752047.db2.gz LZQJDNDVQBDKLL-DCAQKATOSA-N 1 1 261.196 3.194 20 30 CGEDMO C[N@@H+](C[C@]1(C)CC1(Cl)Cl)[C@H]1CCC[C@H]1C#N ZINC000879309201 635752053 /nfs/dbraw/zinc/75/20/53/635752053.db2.gz LZQJDNDVQBDKLL-DCAQKATOSA-N 1 1 261.196 3.194 20 30 CGEDMO C#Cc1cccc(NC(=O)C[C@H](C)n2cc[nH+]c2CC)c1 ZINC000843761252 635776564 /nfs/dbraw/zinc/77/65/64/635776564.db2.gz ZRMLWYZPSOKTPG-ZDUSSCGKSA-N 1 1 281.359 3.017 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879529368 635806168 /nfs/dbraw/zinc/80/61/68/635806168.db2.gz WZBZKEVXDUKKOS-BETUJISGSA-N 1 1 256.324 3.095 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879557613 635809346 /nfs/dbraw/zinc/80/93/46/635809346.db2.gz DETSNSGIJRSNNH-CHWSQXEVSA-N 1 1 252.427 3.001 20 30 CGEDMO C=CCCC[N@H+]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC000879634685 635823314 /nfs/dbraw/zinc/82/33/14/635823314.db2.gz VIKFBENRZBFQMI-MRXNPFEDSA-N 1 1 261.365 3.035 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CCC[C@H](c2ccccc2OC)CC1 ZINC000879730958 635845253 /nfs/dbraw/zinc/84/52/53/635845253.db2.gz GJAMWKRDKPEPJU-DOTOQJQBSA-N 1 1 289.419 3.202 20 30 CGEDMO C#CCCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000844325737 635871176 /nfs/dbraw/zinc/87/11/76/635871176.db2.gz CQGYUGLIOSYHSN-INIZCTEOSA-N 1 1 290.476 3.224 20 30 CGEDMO C#CCCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000844325737 635871179 /nfs/dbraw/zinc/87/11/79/635871179.db2.gz CQGYUGLIOSYHSN-INIZCTEOSA-N 1 1 290.476 3.224 20 30 CGEDMO C#CCCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(C)s2)C1 ZINC000844325737 635871180 /nfs/dbraw/zinc/87/11/80/635871180.db2.gz CQGYUGLIOSYHSN-INIZCTEOSA-N 1 1 290.476 3.224 20 30 CGEDMO C#CCCC[N@H+](C)C[C@@H]1CCN(Cc2ccc(C)s2)C1 ZINC000844325737 635871183 /nfs/dbraw/zinc/87/11/83/635871183.db2.gz CQGYUGLIOSYHSN-INIZCTEOSA-N 1 1 290.476 3.224 20 30 CGEDMO CC(C)(O)[C@@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000879963915 635889918 /nfs/dbraw/zinc/88/99/18/635889918.db2.gz QYKUXWZEAJZPOJ-OAHLLOKOSA-N 1 1 291.822 3.174 20 30 CGEDMO CC(C)(O)[C@@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000879963915 635889921 /nfs/dbraw/zinc/88/99/21/635889921.db2.gz QYKUXWZEAJZPOJ-OAHLLOKOSA-N 1 1 291.822 3.174 20 30 CGEDMO N#CCC[C@H](C#N)C[N@H+]1CC[C@@]2(CCc3ccccc32)C1 ZINC000879994254 635891936 /nfs/dbraw/zinc/89/19/36/635891936.db2.gz AJTCXLGSFMIUJC-QAPCUYQASA-N 1 1 279.387 3.020 20 30 CGEDMO C#CCCCCC[N@@H+]1CC[C@@H](c2nc(C)cs2)C1 ZINC000880013878 635899154 /nfs/dbraw/zinc/89/91/54/635899154.db2.gz ZOJASQXZFNJLEM-CQSZACIVSA-N 1 1 262.422 3.434 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c1 ZINC000844436829 635900922 /nfs/dbraw/zinc/90/09/22/635900922.db2.gz RKTQWINTYDIWME-CQSZACIVSA-N 1 1 280.293 3.319 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)c1 ZINC000844436829 635900928 /nfs/dbraw/zinc/90/09/28/635900928.db2.gz RKTQWINTYDIWME-CQSZACIVSA-N 1 1 280.293 3.319 20 30 CGEDMO C#CCCC[N@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000844471890 635912909 /nfs/dbraw/zinc/91/29/09/635912909.db2.gz HHCFGLRJOBFZQO-BZSNNMDCSA-N 1 1 269.388 3.394 20 30 CGEDMO C[C@@H]1CCCC[C@@H]1C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000846006154 636128436 /nfs/dbraw/zinc/12/84/36/636128436.db2.gz GQQYIQCVGHAAQN-ZTFGCOKTSA-N 1 1 286.419 3.350 20 30 CGEDMO CC[C@H]1C[C@@H](C[N@@H+]2Cc3cccc(C#N)c3C2)CCO1 ZINC000846117342 636146555 /nfs/dbraw/zinc/14/65/55/636146555.db2.gz NHYHZZSGUOLLJK-BBRMVZONSA-N 1 1 270.376 3.079 20 30 CGEDMO CC[C@H]1C[C@@H](C[N@H+]2Cc3cccc(C#N)c3C2)CCO1 ZINC000846117342 636146556 /nfs/dbraw/zinc/14/65/56/636146556.db2.gz NHYHZZSGUOLLJK-BBRMVZONSA-N 1 1 270.376 3.079 20 30 CGEDMO CC[C@@H]1C[C@H](C[N@@H+]2Cc3cccc(C#N)c3C2)CCO1 ZINC000846117344 636146801 /nfs/dbraw/zinc/14/68/01/636146801.db2.gz NHYHZZSGUOLLJK-CZUORRHYSA-N 1 1 270.376 3.079 20 30 CGEDMO CC[C@@H]1C[C@H](C[N@H+]2Cc3cccc(C#N)c3C2)CCO1 ZINC000846117344 636146803 /nfs/dbraw/zinc/14/68/03/636146803.db2.gz NHYHZZSGUOLLJK-CZUORRHYSA-N 1 1 270.376 3.079 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@]3(CC3(F)F)C2)cc1 ZINC000846115756 636147038 /nfs/dbraw/zinc/14/70/38/636147038.db2.gz AAGPMKIIJHHEEE-WFASDCNBSA-N 1 1 292.329 3.209 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cnc3ccc(C)cc3c2)C1 ZINC000847019451 636312349 /nfs/dbraw/zinc/31/23/49/636312349.db2.gz QMQGIJVWEQYVGH-HNNXBMFYSA-N 1 1 264.372 3.388 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2sc(C)nc2C(F)(F)F)C1 ZINC000847020748 636312720 /nfs/dbraw/zinc/31/27/20/636312720.db2.gz DOOZMDCDIHFGQD-SNVBAGLBSA-N 1 1 288.338 3.316 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2sc(C)nc2C(F)(F)F)C1 ZINC000847020748 636312722 /nfs/dbraw/zinc/31/27/22/636312722.db2.gz DOOZMDCDIHFGQD-SNVBAGLBSA-N 1 1 288.338 3.316 20 30 CGEDMO C#C[C@H]1CCC[N@@H+]([C@@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000847026838 636316538 /nfs/dbraw/zinc/31/65/38/636316538.db2.gz QRTQAJPWWCUHNI-GJZGRUSLSA-N 1 1 295.386 3.067 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000847026838 636316541 /nfs/dbraw/zinc/31/65/41/636316541.db2.gz QRTQAJPWWCUHNI-GJZGRUSLSA-N 1 1 295.386 3.067 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](CC(=O)c2c(C)[nH]c3ccccc32)C1 ZINC000847033510 636319696 /nfs/dbraw/zinc/31/96/96/636319696.db2.gz XWPOYYIGKMFLKU-CQSZACIVSA-N 1 1 280.371 3.004 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](CC(=O)c2c(C)[nH]c3ccccc32)C1 ZINC000847033510 636319703 /nfs/dbraw/zinc/31/97/03/636319703.db2.gz XWPOYYIGKMFLKU-CQSZACIVSA-N 1 1 280.371 3.004 20 30 CGEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)C1CCCCCCC1 ZINC000130184669 636429334 /nfs/dbraw/zinc/42/93/34/636429334.db2.gz XTJVABLDBHGAQO-OAHLLOKOSA-N 1 1 293.455 3.039 20 30 CGEDMO C#CCC1(O)CCN(c2cc(C)c3ccc(C)cc3[nH+]2)CC1 ZINC000882971743 636483006 /nfs/dbraw/zinc/48/30/06/636483006.db2.gz RVRMWNVUNIIIMD-UHFFFAOYSA-N 1 1 294.398 3.206 20 30 CGEDMO Fc1ccc(N=NC2CCC[N@H+]3CCCC[C@@H]23)c(F)c1 ZINC000848398590 636566905 /nfs/dbraw/zinc/56/69/05/636566905.db2.gz KCPYPPKFACDEAE-HNNXBMFYSA-N 1 1 279.334 3.381 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000848492920 636580317 /nfs/dbraw/zinc/58/03/17/636580317.db2.gz HPXAAQAMJIHBIY-CQSZACIVSA-N 1 1 295.382 3.399 20 30 CGEDMO C=CC[C@H]([NH2+][C@H]1CCCn2ccnc21)c1ccncc1 ZINC000848531121 636591261 /nfs/dbraw/zinc/59/12/61/636591261.db2.gz MOORSIDOUIOZIR-GJZGRUSLSA-N 1 1 268.364 3.020 20 30 CGEDMO C[C@H]1CCC[N@@H+]1CCNCc1ccc(C(C)(C)C#N)cc1 ZINC000848541841 636598237 /nfs/dbraw/zinc/59/82/37/636598237.db2.gz XPTSEXIGQJJOKS-HNNXBMFYSA-N 1 1 285.435 3.062 20 30 CGEDMO C[C@H]1CCC[N@H+]1CCNCc1ccc(C(C)(C)C#N)cc1 ZINC000848541841 636598242 /nfs/dbraw/zinc/59/82/42/636598242.db2.gz XPTSEXIGQJJOKS-HNNXBMFYSA-N 1 1 285.435 3.062 20 30 CGEDMO N#Cc1c(Cl)nsc1N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848783977 636657205 /nfs/dbraw/zinc/65/72/05/636657205.db2.gz JAWRQMOPHJLYIL-QWRGUYRKSA-N 1 1 296.827 3.097 20 30 CGEDMO CCc1cccc(C[N@H+](C[C@H](C)C#N)C2CC2)c1O ZINC000848889918 636677505 /nfs/dbraw/zinc/67/75/05/636677505.db2.gz PAVUUKWVWIEICF-GFCCVEGCSA-N 1 1 258.365 3.079 20 30 CGEDMO CCc1cccc(C[N@@H+](C[C@H](C)C#N)C2CC2)c1O ZINC000848889918 636677507 /nfs/dbraw/zinc/67/75/07/636677507.db2.gz PAVUUKWVWIEICF-GFCCVEGCSA-N 1 1 258.365 3.079 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(OC)c(COCC)c2)C1 ZINC000848924092 636695711 /nfs/dbraw/zinc/69/57/11/636695711.db2.gz NJEXECBSLUQKHW-OAHLLOKOSA-N 1 1 287.403 3.077 20 30 CGEDMO CC(C)(C)[N@H+]1CC[C@@H]1CN=Cc1cc2ccccc2[nH]c1=O ZINC000849171489 636763678 /nfs/dbraw/zinc/76/36/78/636763678.db2.gz XQXUFWJBONPUME-SKCQWOFPSA-N 1 1 297.402 3.232 20 30 CGEDMO C=C(Cl)CNc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000849314276 636804847 /nfs/dbraw/zinc/80/48/47/636804847.db2.gz FJBHXZDKBSPWEU-CYBMUJFWSA-N 1 1 280.799 3.244 20 30 CGEDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000885929490 637316279 /nfs/dbraw/zinc/31/62/79/637316279.db2.gz QQSZSDVUGIIOMJ-CJNGLKHVSA-N 1 1 290.382 3.263 20 30 CGEDMO C[N@@H+](C[C@H](O)CC1(C#N)CCC1)[C@@H]1CCCc2ccccc21 ZINC000885930694 637317115 /nfs/dbraw/zinc/31/71/15/637317115.db2.gz DVMRLCKRUDJDRS-SJLPKXTDSA-N 1 1 298.430 3.441 20 30 CGEDMO Cc1ccccc1[C@H](C)[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000885962857 637333504 /nfs/dbraw/zinc/33/35/04/637333504.db2.gz HRXACROYGZDQID-HOTGVXAUSA-N 1 1 286.419 3.433 20 30 CGEDMO CC[C@@H]1c2ccccc2CC[N@@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886010851 637359665 /nfs/dbraw/zinc/35/96/65/637359665.db2.gz QOCAONAUAMETKB-SJLPKXTDSA-N 1 1 298.430 3.441 20 30 CGEDMO CC(C)CC[C@@H]1CCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886044066 637383520 /nfs/dbraw/zinc/38/35/20/637383520.db2.gz PPLCKBLESYNZAM-JKSUJKDBSA-N 1 1 278.440 3.332 20 30 CGEDMO C[N@@H+](C[C@@H](O)CC1(C#N)CCC1)CC1(c2ccccc2)CC1 ZINC000886157557 637440740 /nfs/dbraw/zinc/44/07/40/637440740.db2.gz DZUKAZMLXWJOCP-KRWDZBQOSA-N 1 1 298.430 3.095 20 30 CGEDMO C#CCOCC[N@@H+](CC=C)Cc1ccc(Cl)s1 ZINC000851713403 637470162 /nfs/dbraw/zinc/47/01/62/637470162.db2.gz DOVVZLQXTUKDBJ-UHFFFAOYSA-N 1 1 269.797 3.039 20 30 CGEDMO C#CCOCC[N@H+](CC=C)Cc1ccc(Cl)s1 ZINC000851713403 637470159 /nfs/dbraw/zinc/47/01/59/637470159.db2.gz DOVVZLQXTUKDBJ-UHFFFAOYSA-N 1 1 269.797 3.039 20 30 CGEDMO C#CCOCC[N@H+](C)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000851738919 637486474 /nfs/dbraw/zinc/48/64/74/637486474.db2.gz XNEWYCLSMWMEAX-GFCCVEGCSA-N 1 1 285.309 3.348 20 30 CGEDMO C[C@H](C[N@@H+](C)C[C@H](O)CC1(C#N)CCC1)C(C)(C)C ZINC000886314365 637495908 /nfs/dbraw/zinc/49/59/08/637495908.db2.gz VTPHNUWOXCJRNI-ZIAGYGMSSA-N 1 1 266.429 3.045 20 30 CGEDMO CCC1(CC)CCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886315657 637497032 /nfs/dbraw/zinc/49/70/32/637497032.db2.gz WIFUTNMLSAMTBP-CQSZACIVSA-N 1 1 264.413 3.086 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000886353916 637509555 /nfs/dbraw/zinc/50/95/55/637509555.db2.gz SFHUIRDZGOMSHD-GFCCVEGCSA-N 1 1 272.373 3.248 20 30 CGEDMO C#CC[C@H]1CC[N@H+](CC(=O)Nc2ccccc2C(C)(C)C)C1 ZINC000886353744 637510133 /nfs/dbraw/zinc/51/01/33/637510133.db2.gz ONFKETKJEIGFKQ-HNNXBMFYSA-N 1 1 298.430 3.268 20 30 CGEDMO C#CC[C@H]1CC[N@H+]([C@@H](C)c2nc3ccccc3o2)C1 ZINC000886363767 637514666 /nfs/dbraw/zinc/51/46/66/637514666.db2.gz CGYCUUQARBUROF-STQMWFEESA-N 1 1 254.333 3.234 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)CCSc1ccc(F)cc1F ZINC000851989501 637565547 /nfs/dbraw/zinc/56/55/47/637565547.db2.gz JQIDHEMKNIZTPW-SNVBAGLBSA-N 1 1 255.333 3.010 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)cc1 ZINC000886568660 637584417 /nfs/dbraw/zinc/58/44/17/637584417.db2.gz QOAQTIQFYALZAV-GASCZTMLSA-N 1 1 286.444 3.283 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+]Cc1ncc(Cl)cc1Cl ZINC000852102331 637596264 /nfs/dbraw/zinc/59/62/64/637596264.db2.gz WRNPHOAGOSUAAP-LBPRGKRZSA-N 1 1 257.164 3.280 20 30 CGEDMO C#C[C@](C)(CC)[NH2+]Cc1cc(C#N)ccc1Br ZINC000852103352 637597943 /nfs/dbraw/zinc/59/79/43/637597943.db2.gz FHXNVVVZPGQEKW-CQSZACIVSA-N 1 1 291.192 3.212 20 30 CGEDMO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1c(O)cccc1F ZINC000886605408 637600869 /nfs/dbraw/zinc/60/08/69/637600869.db2.gz PZGZSQQTBVDZEL-HSMVNMDESA-N 1 1 279.355 3.163 20 30 CGEDMO N#CCCCC[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886612273 637605536 /nfs/dbraw/zinc/60/55/36/637605536.db2.gz HOCHYLMFYBABEO-RYUDHWBXSA-N 1 1 260.303 3.345 20 30 CGEDMO C#CCOCC[N@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000852155751 637607815 /nfs/dbraw/zinc/60/78/15/637607815.db2.gz MCQFQMXOUVANBE-QGZVFWFLSA-N 1 1 269.388 3.254 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)o1 ZINC000886620505 637613066 /nfs/dbraw/zinc/61/30/66/637613066.db2.gz LMBSQEXFURFYQG-GWCFXTLKSA-N 1 1 284.281 3.316 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)nc2)C1 ZINC000852410137 637647632 /nfs/dbraw/zinc/64/76/32/637647632.db2.gz IUCLCFMBYCGYEW-HNNXBMFYSA-N 1 1 282.391 3.055 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886686081 637651942 /nfs/dbraw/zinc/65/19/42/637651942.db2.gz JKSHJGWMUUDGTM-HNNXBMFYSA-N 1 1 259.397 3.402 20 30 CGEDMO C[N@@H+](CCCC(C)(C)C#N)CCc1ccc2c(c1)OCO2 ZINC000887095578 637743687 /nfs/dbraw/zinc/74/36/87/637743687.db2.gz QQUKWCMVJKZGDN-UHFFFAOYSA-N 1 1 288.391 3.220 20 30 CGEDMO C[N@@H+](CCCF)Cc1ccc(C#N)cc1C(F)(F)F ZINC000887142314 637759507 /nfs/dbraw/zinc/75/95/07/637759507.db2.gz FJMHPBFOATXDIB-UHFFFAOYSA-N 1 1 274.261 3.368 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](CN2C(=O)C[C@H]2c2ccccc2)C1 ZINC000853537103 637864243 /nfs/dbraw/zinc/86/42/43/637864243.db2.gz PBGPMGABRVBYQH-WBVHZDCISA-N 1 1 284.403 3.206 20 30 CGEDMO C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCCn1cc[nH+]c1C ZINC000855170407 638151601 /nfs/dbraw/zinc/15/16/01/638151601.db2.gz QLMGXTMZBCSHAM-CVEARBPZSA-N 1 1 289.423 3.223 20 30 CGEDMO C=CCCC(C)(C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000856372620 638353221 /nfs/dbraw/zinc/35/32/21/638353221.db2.gz OGVVVKGTGXSEGH-INIZCTEOSA-N 1 1 284.419 3.060 20 30 CGEDMO CC[C@H]([NH2+]Cc1cccc(F)n1)c1cccc(C#N)c1O ZINC000925592018 638539822 /nfs/dbraw/zinc/53/98/22/638539822.db2.gz FMAJAIFZCHHBPA-AWEZNQCLSA-N 1 1 285.322 3.039 20 30 CGEDMO C#CC[C@@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1ccccc1 ZINC000857859738 638581722 /nfs/dbraw/zinc/58/17/22/638581722.db2.gz WFHDALTWGZALOO-CVEARBPZSA-N 1 1 265.360 3.141 20 30 CGEDMO C=CCC[C@H](CC)[N@H+]1CCOc2ccc(N)cc2C1 ZINC000925753905 638598592 /nfs/dbraw/zinc/59/85/92/638598592.db2.gz SQIZXUJYEQOYLB-HNNXBMFYSA-N 1 1 260.381 3.208 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)C1 ZINC000858051151 638621771 /nfs/dbraw/zinc/62/17/71/638621771.db2.gz INYAMVXURGLFMW-XOKHGSTOSA-N 1 1 297.402 3.104 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858050513 638621947 /nfs/dbraw/zinc/62/19/47/638621947.db2.gz GDXAMNVHODBOSQ-CZUORRHYSA-N 1 1 285.391 3.104 20 30 CGEDMO Cc1ccc(CN[C@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1C#N ZINC000925838777 638628284 /nfs/dbraw/zinc/62/82/84/638628284.db2.gz OAKMAYJDTOYGTR-OALUTQOASA-N 1 1 297.446 3.125 20 30 CGEDMO CC[C@@H](NC[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(C#N)cc1 ZINC000925839559 638628925 /nfs/dbraw/zinc/62/89/25/638628925.db2.gz HMAZOHUOPYUDHC-KZNAEPCWSA-N 1 1 283.419 3.131 20 30 CGEDMO C[C@H](C#N)Oc1ccccc1N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858403296 638705026 /nfs/dbraw/zinc/70/50/26/638705026.db2.gz ADPPSHBBEPTHPC-KGLIPLIRSA-N 1 1 287.407 3.262 20 30 CGEDMO C=CCCCCCCNC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000858457175 638724882 /nfs/dbraw/zinc/72/48/82/638724882.db2.gz OCRXZPBAQRYHNC-INIZCTEOSA-N 1 1 295.471 3.154 20 30 CGEDMO C#C[C@H]1CC[C@H]([NH2+]C2CCN(CCC(C)C)CC2)CC1 ZINC000926839617 638816794 /nfs/dbraw/zinc/81/67/94/638816794.db2.gz LTPCCELNYQCJRS-QAQDUYKDSA-N 1 1 276.468 3.279 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)CC1CCC(C#N)CC1 ZINC000929163595 638903862 /nfs/dbraw/zinc/90/38/62/638903862.db2.gz CTSSUQDCQOZEJD-UHFFFAOYSA-N 1 1 267.376 3.320 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000929164912 638904675 /nfs/dbraw/zinc/90/46/75/638904675.db2.gz PECIUWYISZTVKU-ZIAGYGMSSA-N 1 1 298.308 3.100 20 30 CGEDMO C[C@H]1c2cccn2CC[N@@H+]1CC1CCC(C#N)CC1 ZINC000929190681 638906910 /nfs/dbraw/zinc/90/69/10/638906910.db2.gz ISKJZKDYDNMPCO-NFOMZHRRSA-N 1 1 257.381 3.195 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000929691126 638941949 /nfs/dbraw/zinc/94/19/49/638941949.db2.gz DDLOOWTWOSQEPP-VXGBXAGGSA-N 1 1 292.345 3.358 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000929691126 638941950 /nfs/dbraw/zinc/94/19/50/638941950.db2.gz DDLOOWTWOSQEPP-VXGBXAGGSA-N 1 1 292.345 3.358 20 30 CGEDMO C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cc1cncc(C#N)c1 ZINC000929770315 638949281 /nfs/dbraw/zinc/94/92/81/638949281.db2.gz WBFHZTMXTDTFHB-KXBFYZLASA-N 1 1 291.398 3.406 20 30 CGEDMO CCN1CC[C@H]([N@H+](C)CC2CCC(C#N)CC2)C[C@H]1C ZINC000929779625 638950572 /nfs/dbraw/zinc/95/05/72/638950572.db2.gz GJCIRHLQQZNKRQ-VXLLPVPCSA-N 1 1 277.456 3.121 20 30 CGEDMO CCN1CC[C@H]([N@@H+](C)CC2CCC(C#N)CC2)C[C@H]1C ZINC000929779625 638950574 /nfs/dbraw/zinc/95/05/74/638950574.db2.gz GJCIRHLQQZNKRQ-VXLLPVPCSA-N 1 1 277.456 3.121 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](C)CCc1ccncc1 ZINC000930159491 638978506 /nfs/dbraw/zinc/97/85/06/638978506.db2.gz SJXWLVYPUNTOSZ-UHFFFAOYSA-N 1 1 279.387 3.245 20 30 CGEDMO CC[C@H]1COC(C)(C)C[N@H+]1CC1CCC(C#N)CC1 ZINC000930848483 639075822 /nfs/dbraw/zinc/07/58/22/639075822.db2.gz KAOXBOYPZCODEI-NRXISQOPSA-N 1 1 264.413 3.206 20 30 CGEDMO N#CC1CCC(C[N@@H+]2CC[C@]3(CC3(F)F)C2)CC1 ZINC000930865261 639079732 /nfs/dbraw/zinc/07/97/32/639079732.db2.gz CNPRWBIXAGDORV-BPCQOVAHSA-N 1 1 254.324 3.047 20 30 CGEDMO C#C[C@H]1CCC[N@H+](C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC000930885165 639082901 /nfs/dbraw/zinc/08/29/01/639082901.db2.gz KICKCIKRLCOPKJ-BPUTZDHNSA-N 1 1 275.342 3.381 20 30 CGEDMO C[C@@H]1C(=O)Nc2ccccc2C[N@@H+]1CC1CCC(C#N)CC1 ZINC000930992177 639095052 /nfs/dbraw/zinc/09/50/52/639095052.db2.gz XROBYTZPVUKCEG-WLYUNCDWSA-N 1 1 297.402 3.159 20 30 CGEDMO N#Cc1cncc(C[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)c1 ZINC000931261008 639127891 /nfs/dbraw/zinc/12/78/91/639127891.db2.gz KFELVFRSDACXAH-GBESFXJTSA-N 1 1 289.382 3.189 20 30 CGEDMO C=CC[C@H]1CC[N@H+](C[C@@H](O)c2cc3ccccc3o2)C1 ZINC000859445112 639141915 /nfs/dbraw/zinc/14/19/15/639141915.db2.gz BLDPHIAFLCKTPU-DZGCQCFKSA-N 1 1 271.360 3.364 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(=O)oc3c(C)c(O)ccc23)C1 ZINC000859445529 639142952 /nfs/dbraw/zinc/14/29/52/639142952.db2.gz PVGMALZSEIMKLF-CYBMUJFWSA-N 1 1 299.370 3.205 20 30 CGEDMO COc1ccc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)cc1C ZINC000931475845 639157842 /nfs/dbraw/zinc/15/78/42/639157842.db2.gz MZQCFAHFOGRKAM-CABCVRRESA-N 1 1 258.365 3.128 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)cc1C ZINC000931475845 639157846 /nfs/dbraw/zinc/15/78/46/639157846.db2.gz MZQCFAHFOGRKAM-CABCVRRESA-N 1 1 258.365 3.128 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000931506463 639161417 /nfs/dbraw/zinc/16/14/17/639161417.db2.gz ZSEAFSUUSVJYAQ-UHOSZYNNSA-N 1 1 298.430 3.301 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000931551630 639169269 /nfs/dbraw/zinc/16/92/69/639169269.db2.gz YKXRSNUWNNQKDG-CVEARBPZSA-N 1 1 286.444 3.360 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC000859589963 639170014 /nfs/dbraw/zinc/17/00/14/639170014.db2.gz STOBKQRJNSOZOU-QGZVFWFLSA-N 1 1 259.393 3.326 20 30 CGEDMO C=CCC1(O)CC[NH+](Cc2c(F)ccc(C)c2F)CC1 ZINC000931750669 639199825 /nfs/dbraw/zinc/19/98/25/639199825.db2.gz MHVCZEIAHCGDCU-UHFFFAOYSA-N 1 1 281.346 3.176 20 30 CGEDMO N#CC1(CCCC[N@H+]2CC[C@@]3(CO)CCC[C@@H]23)CCC1 ZINC000931747496 639200286 /nfs/dbraw/zinc/20/02/86/639200286.db2.gz RDUMUMHBJHTUTN-NVXWUHKLSA-N 1 1 276.424 3.087 20 30 CGEDMO N#CCC1(C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)CC1 ZINC000931911357 639227939 /nfs/dbraw/zinc/22/79/39/639227939.db2.gz MHYXDRXZVCOJDH-LLVKDONJSA-N 1 1 276.277 3.047 20 30 CGEDMO C#CCC[N@H+](CCOCC)[C@@H]1CCc2ccccc21 ZINC000859830203 639233061 /nfs/dbraw/zinc/23/30/61/639233061.db2.gz OOWRXCPHPYICEP-QGZVFWFLSA-N 1 1 257.377 3.036 20 30 CGEDMO C#CCCC[N@H+](CCOCC)[C@H]1CCc2ccccc21 ZINC000859830381 639233192 /nfs/dbraw/zinc/23/31/92/639233192.db2.gz TZQVTFYBYASZAP-SFHVURJKSA-N 1 1 271.404 3.426 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)cc1 ZINC000931932118 639236073 /nfs/dbraw/zinc/23/60/73/639236073.db2.gz QJFWDKPDSIZLED-RBUKOAKNSA-N 1 1 274.367 3.332 20 30 CGEDMO N#CCc1cccc2c1CC[N@H+](CC1CC(F)(F)C1)C2 ZINC000860109469 639284407 /nfs/dbraw/zinc/28/44/07/639284407.db2.gz UOVWCQYUJDVQBC-UHFFFAOYSA-N 1 1 276.330 3.156 20 30 CGEDMO C#CCCC[N@H+]([C@H](C)COC)[C@@H]1CCc2ccccc21 ZINC000860111595 639284579 /nfs/dbraw/zinc/28/45/79/639284579.db2.gz NNLBRBDREZRGBB-CRAIPNDOSA-N 1 1 271.404 3.424 20 30 CGEDMO C=C(Cl)C[NH+]1CCC([C@@H](O)c2cccc(OC)c2)CC1 ZINC000860132896 639286604 /nfs/dbraw/zinc/28/66/04/639286604.db2.gz KPLKYZQZXJEPEZ-MRXNPFEDSA-N 1 1 295.810 3.193 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000932190518 639291952 /nfs/dbraw/zinc/29/19/52/639291952.db2.gz NFPNSWPLIVUBJP-GFCCVEGCSA-N 1 1 262.422 3.387 20 30 CGEDMO C=C(Br)C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000932376717 639323397 /nfs/dbraw/zinc/32/33/97/639323397.db2.gz DCWPXESGSLRJNG-GFCCVEGCSA-N 1 1 267.170 3.031 20 30 CGEDMO C#CC[N@@H+](Cc1nnc(-c2ccc(C)cc2)o1)C(C)(C)C ZINC000932465251 639337874 /nfs/dbraw/zinc/33/78/74/639337874.db2.gz DLJAHVOIBMRXHZ-UHFFFAOYSA-N 1 1 283.375 3.279 20 30 CGEDMO C#CC[N@H+](Cc1nnc(-c2ccc(C)cc2)o1)C(C)(C)C ZINC000932465251 639337877 /nfs/dbraw/zinc/33/78/77/639337877.db2.gz DLJAHVOIBMRXHZ-UHFFFAOYSA-N 1 1 283.375 3.279 20 30 CGEDMO COc1ccc([C@H](C)[NH2+]C[C@@H](C#N)CCC#N)cc1C ZINC000932577581 639359321 /nfs/dbraw/zinc/35/93/21/639359321.db2.gz NNQYZHUHQVHVPD-UONOGXRCSA-N 1 1 271.364 3.098 20 30 CGEDMO Cc1csc(C[C@H]2CC[N@@H+](CCC(C)(C)C#N)C2)n1 ZINC000933125361 639421446 /nfs/dbraw/zinc/42/14/46/639421446.db2.gz FWHFZYNJTSEQTB-CYBMUJFWSA-N 1 1 277.437 3.256 20 30 CGEDMO Cc1nc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)[nH]c1C ZINC000933606156 639468297 /nfs/dbraw/zinc/46/82/97/639468297.db2.gz FCCUCCQWJWOSIY-UHFFFAOYSA-N 1 1 294.402 3.278 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933718534 639483145 /nfs/dbraw/zinc/48/31/45/639483145.db2.gz ZAXYQBMNNGELFY-LLVKDONJSA-N 1 1 285.313 3.251 20 30 CGEDMO COc1ccc([C@@H]2CCC[N@@H+]2CC#Cc2ccccc2)nc1 ZINC000934343533 639591094 /nfs/dbraw/zinc/59/10/94/639591094.db2.gz MVWGUFYGUVARJL-IBGZPJMESA-N 1 1 292.382 3.279 20 30 CGEDMO COc1ccc([C@@H]2CCC[N@H+]2CC#Cc2ccccc2)nc1 ZINC000934343533 639591101 /nfs/dbraw/zinc/59/11/01/639591101.db2.gz MVWGUFYGUVARJL-IBGZPJMESA-N 1 1 292.382 3.279 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1ncccc1C(F)(F)F ZINC000934460900 639611879 /nfs/dbraw/zinc/61/18/79/639611879.db2.gz STDRIGWATBUSSE-SNVBAGLBSA-N 1 1 256.271 3.251 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1ncccc1C(F)(F)F ZINC000934460900 639611883 /nfs/dbraw/zinc/61/18/83/639611883.db2.gz STDRIGWATBUSSE-SNVBAGLBSA-N 1 1 256.271 3.251 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1cccc(C(=O)OC)c1Cl ZINC000934460865 639612371 /nfs/dbraw/zinc/61/23/71/639612371.db2.gz SDWYYEDBLZUJTF-LBPRGKRZSA-N 1 1 279.767 3.277 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1cccc(C(=O)OC)c1Cl ZINC000934460865 639612378 /nfs/dbraw/zinc/61/23/78/639612378.db2.gz SDWYYEDBLZUJTF-LBPRGKRZSA-N 1 1 279.767 3.277 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1C[C@H](O)c1cccc(Cl)c1 ZINC000934468779 639613619 /nfs/dbraw/zinc/61/36/19/639613619.db2.gz JFHJHXWRXVWKRR-KGLIPLIRSA-N 1 1 251.757 3.024 20 30 CGEDMO CCOc1ccc(CC[N@H+](C)C[C@@H](C#N)CCC#N)cc1 ZINC000934724556 639666431 /nfs/dbraw/zinc/66/64/31/639666431.db2.gz AFLUFOKCZIQATQ-MRXNPFEDSA-N 1 1 285.391 3.003 20 30 CGEDMO CCOc1ccc(CC[N@@H+](C)C[C@@H](C#N)CCC#N)cc1 ZINC000934724556 639666437 /nfs/dbraw/zinc/66/64/37/639666437.db2.gz AFLUFOKCZIQATQ-MRXNPFEDSA-N 1 1 285.391 3.003 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC000934732760 639668814 /nfs/dbraw/zinc/66/88/14/639668814.db2.gz FONQVIIEUYEXBK-MRXNPFEDSA-N 1 1 280.412 3.038 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000934764983 639672450 /nfs/dbraw/zinc/67/24/50/639672450.db2.gz AQKVUZHOXZOFRQ-HIFRSBDPSA-N 1 1 266.454 3.391 20 30 CGEDMO C[C@]12CSC[C@H]1C[N@@H+](Cc1cc(Cl)cc(C#N)c1)C2 ZINC000934770331 639673609 /nfs/dbraw/zinc/67/36/09/639673609.db2.gz XVVFIIJWCROSIS-HIFRSBDPSA-N 1 1 292.835 3.397 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCS[C@H](C)CC2)cc1 ZINC000190700218 640261839 /nfs/dbraw/zinc/26/18/39/640261839.db2.gz LYUQVJAEHRZJHD-UONOGXRCSA-N 1 1 290.432 3.305 20 30 CGEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C/c2cocn2)cc1 ZINC000191316941 640302495 /nfs/dbraw/zinc/30/24/95/640302495.db2.gz GBVAUTFEPFTUIW-QPJJXVBHSA-N 1 1 279.299 3.065 20 30 CGEDMO Fc1ccccc1C1([NH2+]CC#Cc2ccccc2)CC1 ZINC000192158059 640354055 /nfs/dbraw/zinc/35/40/55/640354055.db2.gz RUFBKTPFQCZSES-UHFFFAOYSA-N 1 1 265.331 3.456 20 30 CGEDMO C#CC[N@H+](C)Cc1cc(=O)oc2cc(C)c(C(C)C)cc12 ZINC000192230920 640359697 /nfs/dbraw/zinc/35/96/97/640359697.db2.gz TVRPFJUZQLTYEW-UHFFFAOYSA-N 1 1 283.371 3.290 20 30 CGEDMO CCCOC(=O)[C@@H](C)[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000246942286 640700332 /nfs/dbraw/zinc/70/03/32/640700332.db2.gz QUHJPUFEUFLLQA-ZIAGYGMSSA-N 1 1 288.391 3.283 20 30 CGEDMO CCCOC(=O)[C@@H](C)[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000246942286 640700337 /nfs/dbraw/zinc/70/03/37/640700337.db2.gz QUHJPUFEUFLLQA-ZIAGYGMSSA-N 1 1 288.391 3.283 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CCO[C@@H](CCC)C2)cc1 ZINC000093508774 640774250 /nfs/dbraw/zinc/77/42/50/640774250.db2.gz XUWXLWBFSRDXKC-SFHVURJKSA-N 1 1 287.403 3.090 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CCO[C@@H](CCC)C2)cc1 ZINC000093508774 640774255 /nfs/dbraw/zinc/77/42/55/640774255.db2.gz XUWXLWBFSRDXKC-SFHVURJKSA-N 1 1 287.403 3.090 20 30 CGEDMO C#CC[N@H+](Cc1cnc2ccc(C)cn12)C1CCCC1 ZINC000093819864 640783052 /nfs/dbraw/zinc/78/30/52/640783052.db2.gz BPMMPIANMBWEEO-UHFFFAOYSA-N 1 1 267.376 3.021 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)cccc2Cl)C1 ZINC001008412511 640950316 /nfs/dbraw/zinc/95/03/16/640950316.db2.gz PYIUECPDRKDRPN-CYBMUJFWSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CCC[N@@H+](C[C@@H](F)CC)C2)CC1 ZINC001008422598 640950877 /nfs/dbraw/zinc/95/08/77/640950877.db2.gz NZVQYFINOGTHNR-HOTGVXAUSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CCC[N@H+](C[C@@H](F)CC)C2)CC1 ZINC001008422598 640950882 /nfs/dbraw/zinc/95/08/82/640950882.db2.gz NZVQYFINOGTHNR-HOTGVXAUSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccoc2C(C)C)C1 ZINC001009687140 640961932 /nfs/dbraw/zinc/96/19/32/640961932.db2.gz YJPIIUYQAZHERN-AWEZNQCLSA-N 1 1 290.407 3.173 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)CCC=C3)C1 ZINC001016008266 640989716 /nfs/dbraw/zinc/98/97/16/640989716.db2.gz CYJDYQDVMGZNGC-GOSISDBHSA-N 1 1 296.414 3.026 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1(C)CCCC1 ZINC001017525491 641013841 /nfs/dbraw/zinc/01/38/41/641013841.db2.gz JWXOKAQIYYSUEK-IYBDPMFKSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(F)=C1CCCC1 ZINC001017474250 641013952 /nfs/dbraw/zinc/01/39/52/641013952.db2.gz BIURSDCKMDIJRM-GASCZTMLSA-N 1 1 292.398 3.035 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)c1cc(C)[nH]c1C ZINC001155496522 805586569 /nfs/dbraw/zinc/58/65/69/805586569.db2.gz BGNUQVHQEGOWJY-CQSZACIVSA-N 1 1 291.439 3.038 20 30 CGEDMO C=C(C)CNc1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001155660852 805600932 /nfs/dbraw/zinc/60/09/32/805600932.db2.gz PDKLSVNGQIRAKL-UHFFFAOYSA-N 1 1 265.788 3.319 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)CCC1(C)CC1 ZINC001156177088 805662927 /nfs/dbraw/zinc/66/29/27/805662927.db2.gz MDCGGPLOEGFUHQ-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CC12CCCC2 ZINC001156200893 805666047 /nfs/dbraw/zinc/66/60/47/805666047.db2.gz SMUDSNPVVNPBBI-ZIAGYGMSSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC12CCCC2 ZINC001156200893 805666051 /nfs/dbraw/zinc/66/60/51/805666051.db2.gz SMUDSNPVVNPBBI-ZIAGYGMSSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1ccoc1CCC ZINC001156366614 805677546 /nfs/dbraw/zinc/67/75/46/805677546.db2.gz ODWSOLMTEGUKIL-CQSZACIVSA-N 1 1 292.423 3.248 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)C(C)(CC)CC ZINC001156993300 805763645 /nfs/dbraw/zinc/76/36/45/805763645.db2.gz FYIWKUMSJHGHJV-CQSZACIVSA-N 1 1 268.445 3.215 20 30 CGEDMO CC(C)[N@@H+](C)[C@@H]1CCN(c2nccc3ccc(C#N)cc32)C1 ZINC001157009287 805765750 /nfs/dbraw/zinc/76/57/50/805765750.db2.gz GJDVQIADDQGNOR-MRXNPFEDSA-N 1 1 294.402 3.025 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H](C)[N@@H+](CC)CCF)CCCCC1 ZINC001157058217 805772626 /nfs/dbraw/zinc/77/26/26/805772626.db2.gz QRLCLTAERFKTOQ-OAHLLOKOSA-N 1 1 298.446 3.309 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H](C)[N@@H+](CC)CCCF)CCCC1 ZINC001157364333 805799545 /nfs/dbraw/zinc/79/95/45/805799545.db2.gz OOTPPAVJONBVFC-OAHLLOKOSA-N 1 1 298.446 3.309 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccc(C)o1 ZINC001157486875 805820645 /nfs/dbraw/zinc/82/06/45/805820645.db2.gz GLEVJHUUWHOMMH-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCCC ZINC001157554528 805834245 /nfs/dbraw/zinc/83/42/45/805834245.db2.gz IPMGOGWWGZRBHR-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](F)C(C)C ZINC001158349749 805942362 /nfs/dbraw/zinc/94/23/62/805942362.db2.gz IPKPZUFCYHOLFR-HZPDHXFCSA-N 1 1 298.446 3.260 20 30 CGEDMO C=CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC1CC1 ZINC001158419714 805953330 /nfs/dbraw/zinc/95/33/30/805953330.db2.gz XXOPWOPPJZMTLX-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)C[C@H](F)CC ZINC001158419438 805953711 /nfs/dbraw/zinc/95/37/11/805953711.db2.gz PMRXTCXAHJIDTO-HZPDHXFCSA-N 1 1 298.446 3.404 20 30 CGEDMO CC(C)[N@H+]1CCN(c2nccc3ccc(C#N)cc32)C[C@@H]1C ZINC001158494418 805961176 /nfs/dbraw/zinc/96/11/76/805961176.db2.gz HURDINQLSKQYCW-AWEZNQCLSA-N 1 1 294.402 3.025 20 30 CGEDMO CCCCCCCC[C@H](O)C[NH+]1CCN(C2CCC2)CC1 ZINC001252121812 806009765 /nfs/dbraw/zinc/00/97/65/806009765.db2.gz MGHNMSKLKIBZEW-SFHVURJKSA-N 1 1 296.499 3.268 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@@H](CO)CC1 ZINC001252123338 806010253 /nfs/dbraw/zinc/01/02/53/806010253.db2.gz GGWYGNRROITZFM-IAGOWNOFSA-N 1 1 285.472 3.192 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+]1CCC(=O)[C@H](C)C1 ZINC001252123775 806011175 /nfs/dbraw/zinc/01/11/75/806011175.db2.gz LYYWIWDFJCVKCS-CABCVRRESA-N 1 1 269.429 3.009 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC(=O)[C@H](C)C1 ZINC001252123775 806011183 /nfs/dbraw/zinc/01/11/83/806011183.db2.gz LYYWIWDFJCVKCS-CABCVRRESA-N 1 1 269.429 3.009 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+]1CCC(=O)[C@H](C)C1 ZINC001252123785 806011577 /nfs/dbraw/zinc/01/15/77/806011577.db2.gz LYYWIWDFJCVKCS-HUUCEWRRSA-N 1 1 269.429 3.009 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCC(=O)[C@H](C)C1 ZINC001252123785 806011586 /nfs/dbraw/zinc/01/15/86/806011586.db2.gz LYYWIWDFJCVKCS-HUUCEWRRSA-N 1 1 269.429 3.009 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1C[C@@H](CO)CC[C@H]1C ZINC001252125507 806012734 /nfs/dbraw/zinc/01/27/34/806012734.db2.gz ZRRWTGPPWSGGPI-IKGGRYGDSA-N 1 1 285.472 3.191 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001252125810 806012763 /nfs/dbraw/zinc/01/27/63/806012763.db2.gz HDQIWUAVJXXLCV-XUWVNRHRSA-N 1 1 271.420 3.388 20 30 CGEDMO CCCCCCCC[C@@H](O)C[NH+]1CCN(CC(C)C)CC1 ZINC001252127155 806013736 /nfs/dbraw/zinc/01/37/36/806013736.db2.gz XSUWICDDMIYIPV-GOSISDBHSA-N 1 1 298.515 3.372 20 30 CGEDMO CCCCCCCC[C@@H](O)C[NH+]1CC(OC(C)C)C1 ZINC001252134614 806021095 /nfs/dbraw/zinc/02/10/95/806021095.db2.gz YMLBFNZRJQLNCW-OAHLLOKOSA-N 1 1 271.445 3.207 20 30 CGEDMO N#Cc1c2c(sc1N=CC1CC[NH2+]CC1)CCCC2 ZINC001159112723 806043969 /nfs/dbraw/zinc/04/39/69/806043969.db2.gz FRZQCDIAYLVOIT-UHFFFAOYSA-N 1 1 273.405 3.178 20 30 CGEDMO C=CCOC[C@H](O)C[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC001252472900 806049211 /nfs/dbraw/zinc/04/92/11/806049211.db2.gz CFQMDVGKZITEOY-CVEARBPZSA-N 1 1 295.810 3.040 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC001252555489 806064219 /nfs/dbraw/zinc/06/42/19/806064219.db2.gz WCGIFXNVNUGXMM-LSDHHAIUSA-N 1 1 265.784 3.414 20 30 CGEDMO C=C[C@@](C)(O)C[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC001252555436 806064518 /nfs/dbraw/zinc/06/45/18/806064518.db2.gz VCUYNABFASHDRA-CYBMUJFWSA-N 1 1 273.298 3.074 20 30 CGEDMO C=C[C@](C)(O)C[N@@H+](CC)Cc1cccc(Br)c1 ZINC001252556120 806065086 /nfs/dbraw/zinc/06/50/86/806065086.db2.gz AUMYLDSYIKGYSB-AWEZNQCLSA-N 1 1 298.224 3.208 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCc2c3ccccc3oc2C1 ZINC001252602171 806080611 /nfs/dbraw/zinc/08/06/11/806080611.db2.gz NRAOHXKTOKUZIT-CYBMUJFWSA-N 1 1 271.360 3.118 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCc2c3ccccc3oc2C1 ZINC001252602171 806080620 /nfs/dbraw/zinc/08/06/20/806080620.db2.gz NRAOHXKTOKUZIT-CYBMUJFWSA-N 1 1 271.360 3.118 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](Oc2ccc(C)cc2)C1 ZINC001252599521 806082031 /nfs/dbraw/zinc/08/20/31/806082031.db2.gz BDLFUKHYLVJSMO-FUHWJXTLSA-N 1 1 289.419 3.165 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[NH2+]C[C@H]1CCN(C)C1 ZINC001252983332 806146796 /nfs/dbraw/zinc/14/67/96/806146796.db2.gz VEJXPIYZIRCYPN-QZTJIDSGSA-N 1 1 298.515 3.419 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+](C)CCc1ccccn1 ZINC001253227544 806184660 /nfs/dbraw/zinc/18/46/60/806184660.db2.gz KITAXHAPJFIAIY-SFHVURJKSA-N 1 1 290.451 3.443 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001253228654 806184756 /nfs/dbraw/zinc/18/47/56/806184756.db2.gz VTYGAUNYMCXYCM-FGTMMUONSA-N 1 1 295.467 3.375 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCc2cnccc2C1 ZINC001253227323 806184801 /nfs/dbraw/zinc/18/48/01/806184801.db2.gz GUOPZYBNGHDQRQ-GOSISDBHSA-N 1 1 288.435 3.327 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+](CC)CCCC(=O)OC ZINC001253234196 806188989 /nfs/dbraw/zinc/18/89/89/806188989.db2.gz WGAPSSBYVIEMHE-MRXNPFEDSA-N 1 1 299.455 3.149 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+](C)C[C@H]1CCCCO1 ZINC001253239551 806190071 /nfs/dbraw/zinc/19/00/71/806190071.db2.gz NPMJFURWOFOVCL-DLBZAZTESA-N 1 1 283.456 3.375 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001253239353 806190585 /nfs/dbraw/zinc/19/05/85/806190585.db2.gz MJCSCKORBUSPNB-DLBZAZTESA-N 1 1 278.440 3.500 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCc2[nH]ccc2C1 ZINC001253242556 806191808 /nfs/dbraw/zinc/19/18/08/806191808.db2.gz NEYPCADPXMUEAR-MRXNPFEDSA-N 1 1 276.424 3.260 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@H](C(C)=O)C1 ZINC001253241623 806192287 /nfs/dbraw/zinc/19/22/87/806192287.db2.gz YHQZAOXDLBKIPM-DLBZAZTESA-N 1 1 281.440 3.175 20 30 CGEDMO CCCCCCCCC[N@@H+](C)[C@@H]1CCN(C2CC2)C1=O ZINC001253304252 806203230 /nfs/dbraw/zinc/20/32/30/806203230.db2.gz SMIASRKDPZZGPY-MRXNPFEDSA-N 1 1 280.456 3.432 20 30 CGEDMO C=CCOc1ccccc1[C@H](C)Nc1[nH+]cccc1N ZINC001160181305 806232210 /nfs/dbraw/zinc/23/22/10/806232210.db2.gz PGSZUVZAUVDJQM-LBPRGKRZSA-N 1 1 269.348 3.402 20 30 CGEDMO C=C[C@@H](O)C[N@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001253581870 806263707 /nfs/dbraw/zinc/26/37/07/806263707.db2.gz FAESETJKBZMZMS-GXTWGEPZSA-N 1 1 285.309 3.042 20 30 CGEDMO CCOc1cc(CNc2[nH+]c(C)ccc2CC#N)ccc1O ZINC001160784527 806303263 /nfs/dbraw/zinc/30/32/63/806303263.db2.gz NKGZOQKLBYRIBZ-UHFFFAOYSA-N 1 1 297.358 3.173 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)[C@H](C)C=C)CC1 ZINC001160942506 806326353 /nfs/dbraw/zinc/32/63/53/806326353.db2.gz ZOBYJHPLUXMHDC-CVEARBPZSA-N 1 1 290.451 3.159 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@H](F)C(C)C)CC1 ZINC001160946997 806326387 /nfs/dbraw/zinc/32/63/87/806326387.db2.gz WSJLHLCOIPJJIS-MRXNPFEDSA-N 1 1 296.430 3.085 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1nc(C)c2ccccc2n1 ZINC001160953162 806329305 /nfs/dbraw/zinc/32/93/05/806329305.db2.gz UIZUVBSGNBYUKM-AWEZNQCLSA-N 1 1 282.391 3.001 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NCCC1=CC[N@H+](C(C)C)CC1 ZINC001160967671 806330309 /nfs/dbraw/zinc/33/03/09/806330309.db2.gz MNNQMPKUUCBGJP-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCCC(=O)NCCC1=CC[N@@H+](CCC2CC2)CC1 ZINC001161056850 806345306 /nfs/dbraw/zinc/34/53/06/806345306.db2.gz RNEFAMAGAPQPSY-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CCNC(=O)C[C@@H]2C[C@@H]2C)CC1 ZINC001161111959 806351048 /nfs/dbraw/zinc/35/10/48/806351048.db2.gz BYSXIBONGSNTSZ-RDJZCZTQSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)C[C@H]2C[C@H]2C)CC1 ZINC001161113247 806351314 /nfs/dbraw/zinc/35/13/14/806351314.db2.gz PDJODEVHYGMCNF-NVXWUHKLSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C1CC(C)(C(=O)NCCC2=CC[N@@H+](CCCC)CC2)C1 ZINC001161172239 806354393 /nfs/dbraw/zinc/35/43/93/806354393.db2.gz ASWOLBNOSVPLBI-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2C[C@]2(C)CC)CC1 ZINC001161611427 806398200 /nfs/dbraw/zinc/39/82/00/806398200.db2.gz SUMSNCXELCAERL-AEFFLSMTSA-N 1 1 290.451 3.137 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](C2CCc3ccccc3CC2)C1 ZINC001254463601 806411822 /nfs/dbraw/zinc/41/18/22/806411822.db2.gz SLMFLLLDHZZVEI-KRWDZBQOSA-N 1 1 254.377 3.170 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)C[C@H](C)C(C)(C)C)CC1 ZINC001161771137 806451341 /nfs/dbraw/zinc/45/13/41/806451341.db2.gz IEFWUFRBKKMHEJ-HNNXBMFYSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2nc3c(s2)C[C@@H](C)CC3)C1 ZINC001254646099 806470150 /nfs/dbraw/zinc/47/01/50/806470150.db2.gz VAIRVSXAQSDFLX-QWHCGFSZSA-N 1 1 292.448 3.045 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2nc3c(s2)C[C@@H](C)CC3)C1 ZINC001254646099 806470153 /nfs/dbraw/zinc/47/01/53/806470153.db2.gz VAIRVSXAQSDFLX-QWHCGFSZSA-N 1 1 292.448 3.045 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2nc3c(s2)C[C@H](C)CC3)C1 ZINC001254646097 806470211 /nfs/dbraw/zinc/47/02/11/806470211.db2.gz VAIRVSXAQSDFLX-CHWSQXEVSA-N 1 1 292.448 3.045 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2nc3c(s2)C[C@H](C)CC3)C1 ZINC001254646097 806470216 /nfs/dbraw/zinc/47/02/16/806470216.db2.gz VAIRVSXAQSDFLX-CHWSQXEVSA-N 1 1 292.448 3.045 20 30 CGEDMO N#C[C@@H]1CC[C@H](N2CCCC[C@H]2CC[NH+]2CCCC2)C1 ZINC001254669001 806480133 /nfs/dbraw/zinc/48/01/33/806480133.db2.gz MMHBTJGUOOCTKM-IKGGRYGDSA-N 1 1 275.440 3.019 20 30 CGEDMO CC(C)c1noc([C@@H]2CCC[N@H+]([C@H]3CC[C@@H](C#N)C3)C2)n1 ZINC001254670717 806481073 /nfs/dbraw/zinc/48/10/73/806481073.db2.gz LNUAAXBZZYDYQT-MCIONIFRSA-N 1 1 288.395 3.065 20 30 CGEDMO Cc1ccccc1O[C@H]1CC[N@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC001254670658 806481109 /nfs/dbraw/zinc/48/11/09/806481109.db2.gz KNKFPCJDPISLAY-PMPSAXMXSA-N 1 1 270.376 3.140 20 30 CGEDMO N#Cc1ccccc1O[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC001254671432 806481622 /nfs/dbraw/zinc/48/16/22/806481622.db2.gz REKPYOGBOHBWOE-DJIMGWMZSA-N 1 1 295.386 3.094 20 30 CGEDMO N#C[C@@H]1CC[C@@H](n2ccc(C[NH2+]Cc3ccccc3)n2)C1 ZINC001254677262 806485192 /nfs/dbraw/zinc/48/51/92/806485192.db2.gz RPAUQMZSTUYUHR-NVXWUHKLSA-N 1 1 280.375 3.038 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCCN(c3ccc(F)cc3)CC2)C1 ZINC001254677239 806485297 /nfs/dbraw/zinc/48/52/97/806485297.db2.gz RKYFSFBVRQFEPX-PBHICJAKSA-N 1 1 287.382 3.030 20 30 CGEDMO C[C@@H](CC#N)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255130744 806550444 /nfs/dbraw/zinc/55/04/44/806550444.db2.gz JGWRNQLSAGKZGU-OWLYRPNTSA-N 1 1 283.419 3.074 20 30 CGEDMO CC[C@H](CC#N)[NH2+]CCOc1cccc2ccoc21 ZINC001255162944 806561294 /nfs/dbraw/zinc/56/12/94/806561294.db2.gz AEHRGJXPUFGZNI-CYBMUJFWSA-N 1 1 258.321 3.093 20 30 CGEDMO CC[C@H](CC#N)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001255174425 806568373 /nfs/dbraw/zinc/56/83/73/806568373.db2.gz XCXGKWBPZDSQOD-MOPGFXCFSA-N 1 1 297.446 3.277 20 30 CGEDMO CC[C@H](CC#N)[N@@H+]1CCC[C@H](OCc2ccccc2)C1 ZINC001255175222 806568904 /nfs/dbraw/zinc/56/89/04/806568904.db2.gz NVEBOVRASOMRCL-SJORKVTESA-N 1 1 272.392 3.360 20 30 CGEDMO CC[C@H](CC#N)[N@H+]1CCC[C@H](OCc2ccccc2)C1 ZINC001255175222 806568908 /nfs/dbraw/zinc/56/89/08/806568908.db2.gz NVEBOVRASOMRCL-SJORKVTESA-N 1 1 272.392 3.360 20 30 CGEDMO CC[C@@H](CC#N)[N@@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001255177291 806570507 /nfs/dbraw/zinc/57/05/07/806570507.db2.gz PPCIFBFXQLVXDV-DOTOQJQBSA-N 1 1 283.375 3.094 20 30 CGEDMO CC[C@@H](CC#N)[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001255177291 806570514 /nfs/dbraw/zinc/57/05/14/806570514.db2.gz PPCIFBFXQLVXDV-DOTOQJQBSA-N 1 1 283.375 3.094 20 30 CGEDMO C#CCCCNc1ccc(C[N@@H+]2CCCC[C@H]2C)cn1 ZINC001162440076 806586039 /nfs/dbraw/zinc/58/60/39/806586039.db2.gz MJULQOYBYIULMJ-OAHLLOKOSA-N 1 1 271.408 3.281 20 30 CGEDMO CCCCCCCC[N@@H+](CCN)[C@@H]1CCSC1 ZINC001255277840 806591426 /nfs/dbraw/zinc/59/14/26/806591426.db2.gz XNZPAIXHSFRCJC-CQSZACIVSA-N 1 1 258.475 3.113 20 30 CGEDMO CCCCCCCCN(CC[NH3+])[C@@H]1CCSC1 ZINC001255277840 806591431 /nfs/dbraw/zinc/59/14/31/806591431.db2.gz XNZPAIXHSFRCJC-CQSZACIVSA-N 1 1 258.475 3.113 20 30 CGEDMO Cc1[nH+]c(NC2(Cc3ccc(O)cc3)CC2)ccc1CC#N ZINC001162735552 806655471 /nfs/dbraw/zinc/65/54/71/806655471.db2.gz DEPSFWWXFOBRAK-UHFFFAOYSA-N 1 1 293.370 3.349 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](C2CCC(C(F)(F)F)CC2)C1 ZINC001255521007 806661220 /nfs/dbraw/zinc/66/12/20/806661220.db2.gz QCWNVGSOGMYSDP-PNESKVBLSA-N 1 1 259.315 3.453 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(Cl)ccc1N ZINC000093632090 798966363 /nfs/dbraw/zinc/96/63/63/798966363.db2.gz NQYSKZDIANVZRE-UHFFFAOYSA-N 1 1 285.778 3.426 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001255718672 806716884 /nfs/dbraw/zinc/71/68/84/806716884.db2.gz VVUNXTPKRFINOQ-QJPTWQEYSA-N 1 1 260.303 3.343 20 30 CGEDMO N#C[C@@H]1CCC[N@H+]([C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001255718672 806716888 /nfs/dbraw/zinc/71/68/88/806716888.db2.gz VVUNXTPKRFINOQ-QJPTWQEYSA-N 1 1 260.303 3.343 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC001255715213 806717381 /nfs/dbraw/zinc/71/73/81/806717381.db2.gz CNYPXOMWXWDEIT-FRRDWIJNSA-N 1 1 259.315 3.453 20 30 CGEDMO C=C(Br)C[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000307267744 799215482 /nfs/dbraw/zinc/21/54/82/799215482.db2.gz FEBDWUHQLYMBMT-NEPJUHHUSA-N 1 1 258.203 3.407 20 30 CGEDMO Cc1cc(F)c(C#N)c(NC[C@H]2CCCC[N@H+]2C2CC2)c1 ZINC001163241341 806733420 /nfs/dbraw/zinc/73/34/20/806733420.db2.gz DJOLTGQIYODMIS-CQSZACIVSA-N 1 1 287.382 3.435 20 30 CGEDMO C#CC[N@H+](C)CCCN[C@H](C)c1ccc(F)cc1Cl ZINC000380929507 799369979 /nfs/dbraw/zinc/36/99/79/799369979.db2.gz NUFXVRPJUGMZPM-GFCCVEGCSA-N 1 1 282.790 3.085 20 30 CGEDMO C#CCN(C)CCC[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000380929507 799369984 /nfs/dbraw/zinc/36/99/84/799369984.db2.gz NUFXVRPJUGMZPM-GFCCVEGCSA-N 1 1 282.790 3.085 20 30 CGEDMO C#CCNc1[nH+]ccc2ccn(Cc3ccccc3)c21 ZINC001163362484 806748112 /nfs/dbraw/zinc/74/81/12/806748112.db2.gz WTWOUZADLLSQKQ-UHFFFAOYSA-N 1 1 261.328 3.130 20 30 CGEDMO CCCCCCCCC[NH2+][C@H](C)c1ncn(C)n1 ZINC000391998798 799480260 /nfs/dbraw/zinc/48/02/60/799480260.db2.gz NTXHYYRFPXBUMO-CYBMUJFWSA-N 1 1 252.406 3.216 20 30 CGEDMO C=C(C)CNc1nc(C[NH+](C)C)nc2sc(C)c(C)c21 ZINC001163376158 806753349 /nfs/dbraw/zinc/75/33/49/806753349.db2.gz UYFYWZRHQOSPPY-UHFFFAOYSA-N 1 1 290.436 3.358 20 30 CGEDMO C=C(Br)C[NH+]1CCC2(CC2(F)F)CC1 ZINC000405041053 799580699 /nfs/dbraw/zinc/58/06/99/799580699.db2.gz BTPYJYJSNQGCFZ-UHFFFAOYSA-N 1 1 266.129 3.016 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1ccc(C#N)cc1 ZINC000405158357 799580996 /nfs/dbraw/zinc/58/09/96/799580996.db2.gz MGVYAMWOAMDGEB-CYBMUJFWSA-N 1 1 253.349 3.293 20 30 CGEDMO C=CC[C@@H]([NH2+]CC1CCCCCC1)C(=O)OCC ZINC001255854876 806770313 /nfs/dbraw/zinc/77/03/13/806770313.db2.gz WBYJWYISHXZYBM-CQSZACIVSA-N 1 1 253.386 3.054 20 30 CGEDMO COc1ccc(C[NH2+]Cc2ccc(Cl)o2)cc1C#N ZINC000698103996 799852342 /nfs/dbraw/zinc/85/23/42/799852342.db2.gz ZAQLTVUPJLCJBG-UHFFFAOYSA-N 1 1 276.723 3.103 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C ZINC000702231471 799905639 /nfs/dbraw/zinc/90/56/39/799905639.db2.gz DPLOJOQTMKGNSM-CYBMUJFWSA-N 1 1 280.755 3.386 20 30 CGEDMO C#CCOc1ccccc1C[NH2+][C@H](C)c1ccns1 ZINC000716046322 800162085 /nfs/dbraw/zinc/16/20/85/800162085.db2.gz GQEKNSSLBNRHBI-GFCCVEGCSA-N 1 1 272.373 3.006 20 30 CGEDMO C[C@@H](COCc1ccccc1)C[N@@H+](C)[C@@H](C)CC#N ZINC000719590181 800244678 /nfs/dbraw/zinc/24/46/78/800244678.db2.gz BHVHBBXZZPURKV-CABCVRRESA-N 1 1 260.381 3.073 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000809543610 800443684 /nfs/dbraw/zinc/44/36/84/800443684.db2.gz SDDZTZSJFGTHHJ-LJQANCHMSA-N 1 1 277.367 3.241 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000809543610 800443688 /nfs/dbraw/zinc/44/36/88/800443688.db2.gz SDDZTZSJFGTHHJ-LJQANCHMSA-N 1 1 277.367 3.241 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CC[C@@H](c3ccco3)C2)cc1 ZINC000809575083 800446472 /nfs/dbraw/zinc/44/64/72/800446472.db2.gz YUPZFNRCCHERDT-MRXNPFEDSA-N 1 1 251.329 3.250 20 30 CGEDMO CC([NH2+]Nc1cccc([N+](=O)[O-])c1)=C1CC1(F)F ZINC000841605673 800502340 /nfs/dbraw/zinc/50/23/40/800502340.db2.gz QNMAFNDYYUHNTK-JTQLQIEISA-N 1 1 255.224 3.038 20 30 CGEDMO C=CC(C)(C)CCC[NH2+]C1CCN(C(C)C)CC1 ZINC000872101372 800536961 /nfs/dbraw/zinc/53/69/61/800536961.db2.gz MAQPAQPKYWDKDT-UHFFFAOYSA-N 1 1 252.446 3.441 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001023442689 800709746 /nfs/dbraw/zinc/70/97/46/800709746.db2.gz BSNBDBCKVMVGPL-IAGOWNOFSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC2(C)C)C1 ZINC001023547449 800712068 /nfs/dbraw/zinc/71/20/68/800712068.db2.gz MEMHAFJZBYVTBW-JKSUJKDBSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1c(C)coc1C ZINC001024426175 800727681 /nfs/dbraw/zinc/72/76/81/800727681.db2.gz WBHVJIFMZKYFRT-HNNXBMFYSA-N 1 1 290.407 3.057 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC001024564740 800730683 /nfs/dbraw/zinc/73/06/83/800730683.db2.gz LQCSPYACHYVCKR-JFIYKMOQSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)c1cocc1C ZINC001024605425 800732197 /nfs/dbraw/zinc/73/21/97/800732197.db2.gz WDERGRQNHWBBIK-HNNXBMFYSA-N 1 1 290.407 3.139 20 30 CGEDMO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1coc2ccccc12 ZINC001024825330 800738930 /nfs/dbraw/zinc/73/89/30/800738930.db2.gz FKYVIGHRTQMVIU-CQSZACIVSA-N 1 1 298.386 3.203 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC ZINC001025184514 800745670 /nfs/dbraw/zinc/74/56/70/800745670.db2.gz PPYMCISUFFOBCP-HOTGVXAUSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)C ZINC001025292374 800752983 /nfs/dbraw/zinc/75/29/83/800752983.db2.gz HWVKGAIUCVGMEZ-JKSUJKDBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(C=C)cc2)C1 ZINC001025544693 800764092 /nfs/dbraw/zinc/76/40/92/800764092.db2.gz YXAZMIWMAPLHDO-YJBOKZPZSA-N 1 1 298.430 3.346 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001027563298 800804168 /nfs/dbraw/zinc/80/41/68/800804168.db2.gz IJMKXOJQWPHLMZ-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001027903506 800826135 /nfs/dbraw/zinc/82/61/35/800826135.db2.gz IKJBJOPJKRASNN-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1C(C)C ZINC001027918242 800826421 /nfs/dbraw/zinc/82/64/21/800826421.db2.gz LBRMDANWESGNOA-MRXNPFEDSA-N 1 1 298.430 3.028 20 30 CGEDMO C=Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CCC(=C)C)cc1 ZINC001028157194 800834669 /nfs/dbraw/zinc/83/46/69/800834669.db2.gz ZXDGZQBSFKNLBO-SFHVURJKSA-N 1 1 298.430 3.490 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(Cl)c1 ZINC001028282324 800839565 /nfs/dbraw/zinc/83/95/65/800839565.db2.gz ZHTKCRUHDMIGCT-HNNXBMFYSA-N 1 1 292.810 3.110 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1sccc1C(C)C ZINC001028332680 800841907 /nfs/dbraw/zinc/84/19/07/800841907.db2.gz BUUJPZAGUXIOTO-ZDUSSCGKSA-N 1 1 292.448 3.252 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)c2ccsc2C)C1 ZINC001028531837 800850660 /nfs/dbraw/zinc/85/06/60/800850660.db2.gz KCZWAAQGDJGHFQ-AWEZNQCLSA-N 1 1 292.448 3.074 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)C ZINC001029323545 800867620 /nfs/dbraw/zinc/86/76/20/800867620.db2.gz DLGVXPUMEGACKK-OKILXGFUSA-N 1 1 298.858 3.096 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=C)C ZINC001029453847 800868844 /nfs/dbraw/zinc/86/88/44/800868844.db2.gz MYUGHMAVXJVCFT-JZXOWHBKSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC(C)C)CC1 ZINC001032607224 800932931 /nfs/dbraw/zinc/93/29/31/800932931.db2.gz JOLJXRCQOBWWRI-IRXDYDNUSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2c(C)coc2C)C1 ZINC001033047845 800951256 /nfs/dbraw/zinc/95/12/56/800951256.db2.gz KCELXIFYIVUUJI-OAHLLOKOSA-N 1 1 290.407 3.009 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C2(C)CCCC2)C1 ZINC001033306829 800958719 /nfs/dbraw/zinc/95/87/19/800958719.db2.gz RCYJQJCXXHBLAW-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C1CCC(C(=O)N(C)[C@H]2CC[N@H+](CCCC)C2)CC1 ZINC001033388867 800962843 /nfs/dbraw/zinc/96/28/43/800962843.db2.gz FZUAMXCDLKWFQR-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)C2CCC(C)(C)CC2)C1 ZINC001033695089 800975040 /nfs/dbraw/zinc/97/50/40/800975040.db2.gz XAKXCKMUMYSYII-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccccc2)C1 ZINC001033733736 800978253 /nfs/dbraw/zinc/97/82/53/800978253.db2.gz HHCSBTYKMDLZKF-QGZVFWFLSA-N 1 1 286.419 3.189 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC=CCC2)C1 ZINC001033754768 800982956 /nfs/dbraw/zinc/98/29/56/800982956.db2.gz ZKGPEHBPERRRIK-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccoc2Cl)C1 ZINC001033811120 800984094 /nfs/dbraw/zinc/98/40/94/800984094.db2.gz YIILCMAZFGNWTQ-GFCCVEGCSA-N 1 1 296.798 3.046 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2sc(C)cc2C)C1 ZINC001033845906 800986005 /nfs/dbraw/zinc/98/60/05/800986005.db2.gz IRQDPGKDVLGIPD-AWEZNQCLSA-N 1 1 292.448 3.087 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)C2CC3(CCC3)C2)C1 ZINC001033921536 800987731 /nfs/dbraw/zinc/98/77/31/800987731.db2.gz CAYOAUXWODVIGJ-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc(Cl)c2)C1 ZINC001034028593 800994846 /nfs/dbraw/zinc/99/48/46/800994846.db2.gz HKFCOLNXQJZBBL-OAHLLOKOSA-N 1 1 292.810 3.062 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001034156104 801007095 /nfs/dbraw/zinc/00/70/95/801007095.db2.gz SKKRHZOCQTVOJM-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2c(C)coc2C)C1 ZINC001034202921 801011133 /nfs/dbraw/zinc/01/11/33/801011133.db2.gz XGNWLLGXDGKVQY-OAHLLOKOSA-N 1 1 290.407 3.057 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)C2(C3CC3)CC2)C1 ZINC001034256703 801012399 /nfs/dbraw/zinc/01/23/99/801012399.db2.gz FSSHCCDZHATNTN-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC23CC3)C1 ZINC001034271759 801015013 /nfs/dbraw/zinc/01/50/13/801015013.db2.gz IZFFMFFZMHLBEF-JKSUJKDBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)C2(C)CCC2)C1 ZINC001034353642 801019668 /nfs/dbraw/zinc/01/96/68/801019668.db2.gz YCIUCLHGBIVRDC-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)c2cocc2C)C1 ZINC001034356129 801019897 /nfs/dbraw/zinc/01/98/97/801019897.db2.gz NSAQUUIIBMWHKO-HNNXBMFYSA-N 1 1 290.407 3.139 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccccc2CC)C1 ZINC001034373496 801021532 /nfs/dbraw/zinc/02/15/32/801021532.db2.gz TUQVUJYHDBCDKE-MRXNPFEDSA-N 1 1 286.419 3.019 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2occc2CC)C1 ZINC001034384609 801022537 /nfs/dbraw/zinc/02/25/37/801022537.db2.gz KLNGEUZWCDMSOH-OAHLLOKOSA-N 1 1 290.407 3.002 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001034409894 801024317 /nfs/dbraw/zinc/02/43/17/801024317.db2.gz ZTMFDUDTRRMNFQ-IXDOHACOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2csc(C)c2)C1 ZINC001034441952 801025913 /nfs/dbraw/zinc/02/59/13/801025913.db2.gz ACTFYYZSGJXOLX-OAHLLOKOSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC23CCCC3)C1 ZINC001034477789 801028275 /nfs/dbraw/zinc/02/82/75/801028275.db2.gz PSOCAVICMLVRBJ-JKSUJKDBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC23CCCC3)C1 ZINC001034477701 801028721 /nfs/dbraw/zinc/02/87/21/801028721.db2.gz PDHQQVIVOLZTFG-JKSUJKDBSA-N 1 1 290.451 3.114 20 30 CGEDMO C#CC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001034504956 801030141 /nfs/dbraw/zinc/03/01/41/801030141.db2.gz BIYKBOVCKSVEJT-SFHVURJKSA-N 1 1 298.430 3.028 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001034547414 801033625 /nfs/dbraw/zinc/03/36/25/801033625.db2.gz QKCRJNZWAGCLSL-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C(C)C)CC[C@H]21 ZINC001036725057 801089505 /nfs/dbraw/zinc/08/95/05/801089505.db2.gz QOAQCIHMCKHKRL-HZPDHXFCSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3(C)CCCC3)CC[C@H]21 ZINC001036784289 801089674 /nfs/dbraw/zinc/08/96/74/801089674.db2.gz LSAUZYMLGYYGSC-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C3(C)CCCC3)CC[C@@H]21 ZINC001036782287 801089974 /nfs/dbraw/zinc/08/99/74/801089974.db2.gz HQVSOWQIOKUGAF-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC2(CC2)C1 ZINC001038246562 801122668 /nfs/dbraw/zinc/12/26/68/801122668.db2.gz NHAGKGROZIIIBZ-HOTGVXAUSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(C(F)F)c1 ZINC001038931348 801136514 /nfs/dbraw/zinc/13/65/14/801136514.db2.gz UFRYBBSMAXOYOK-CQSZACIVSA-N 1 1 294.345 3.004 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1cccc(C(F)F)c1 ZINC001038931348 801136516 /nfs/dbraw/zinc/13/65/16/801136516.db2.gz UFRYBBSMAXOYOK-CQSZACIVSA-N 1 1 294.345 3.004 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1oc2ccccc2c1C ZINC001038996089 801140882 /nfs/dbraw/zinc/14/08/82/801140882.db2.gz KLIFTNWMLHHMRH-AWEZNQCLSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1oc2ccccc2c1C ZINC001038996089 801140884 /nfs/dbraw/zinc/14/08/84/801140884.db2.gz KLIFTNWMLHHMRH-AWEZNQCLSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC([C@@H]2CC[N@H+](CC)C2)CC1 ZINC001039153711 801151089 /nfs/dbraw/zinc/15/10/89/801151089.db2.gz FYQJOSGIYZZPSK-AEFFLSMTSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C2CC2)C1 ZINC001039186077 801152025 /nfs/dbraw/zinc/15/20/25/801152025.db2.gz XILVJLRDARTSIO-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC)C1 ZINC001039190867 801152245 /nfs/dbraw/zinc/15/22/45/801152245.db2.gz XNMBNHVEASZFDG-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C1CCC1 ZINC001039393071 801160350 /nfs/dbraw/zinc/16/03/50/801160350.db2.gz PSWTXTQMPBCNTJ-OIISXLGYSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001039896090 801168055 /nfs/dbraw/zinc/16/80/55/801168055.db2.gz DUUJCOPIESTSPH-JZXOWHBKSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)CC3CC3)C2)C1 ZINC001040037777 801169572 /nfs/dbraw/zinc/16/95/72/801169572.db2.gz GHGWRNUMNWTBCF-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C)CC)C2)C1 ZINC001040082438 801172464 /nfs/dbraw/zinc/17/24/64/801172464.db2.gz DZBNYMZTMQTHKH-XJKSGUPXSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C)CC)C2)C1 ZINC001040082438 801172465 /nfs/dbraw/zinc/17/24/65/801172465.db2.gz DZBNYMZTMQTHKH-XJKSGUPXSA-N 1 1 298.858 3.100 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@]2(C1)CCC[N@H+](CC(=C)C)C2 ZINC001040327329 801175852 /nfs/dbraw/zinc/17/58/52/801175852.db2.gz FASPNTSBZGUKKH-GOSISDBHSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC)C2 ZINC001040370216 801176372 /nfs/dbraw/zinc/17/63/72/801176372.db2.gz ZFDVYITXJQSXGY-MSOLQXFVSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CC[C@@]2(CC[N@H+](CCC)C2)C1 ZINC001041319720 801188037 /nfs/dbraw/zinc/18/80/37/801188037.db2.gz AFAKKALVUUVGMS-MRXNPFEDSA-N 1 1 298.858 3.100 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@]2(CC[N@H+](CCC(C)C)C2)C1 ZINC001041541860 801191835 /nfs/dbraw/zinc/19/18/35/801191835.db2.gz ZPCWOYINZGFWRJ-SFHVURJKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)C(C)C)C2)C1 ZINC001041719633 801192202 /nfs/dbraw/zinc/19/22/02/801192202.db2.gz FUZSKFORRRFVRO-FUHWJXTLSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc(C)ccc3C)C2)C1 ZINC001041804092 801193505 /nfs/dbraw/zinc/19/35/05/801193505.db2.gz PUFPDOAYAFYGDF-LJQANCHMSA-N 1 1 298.430 3.027 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C3(C)CCC3)C[C@H]21 ZINC001042186869 801202051 /nfs/dbraw/zinc/20/20/51/801202051.db2.gz KHOUCBAJFRGCKH-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[NH+]1CC(N(C)C(=O)c2coc3ccccc23)C1 ZINC001044369032 801238983 /nfs/dbraw/zinc/23/89/83/801238983.db2.gz OJSBIQDDSPWNSO-UHFFFAOYSA-N 1 1 298.386 3.155 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(C)C ZINC001045825870 801287968 /nfs/dbraw/zinc/28/79/68/801287968.db2.gz MRCDFXHVUARRTI-CVEARBPZSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CC(C)C)C1 ZINC001045843784 801288854 /nfs/dbraw/zinc/28/88/54/801288854.db2.gz UBPAHHLQIKLLAW-CVEARBPZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(CC)CC)C2 ZINC001045915140 801291694 /nfs/dbraw/zinc/29/16/94/801291694.db2.gz HZQBRFXUYYXJKX-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)C2=CCCCCC2)C1 ZINC001046254168 801305806 /nfs/dbraw/zinc/30/58/06/801305806.db2.gz JCORZOXCWYDAOB-QGZVFWFLSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001046320400 801306583 /nfs/dbraw/zinc/30/65/83/801306583.db2.gz IRYXJIIAFFGPKZ-RDJZCZTQSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)c2sccc2F)C1 ZINC001046295464 801306619 /nfs/dbraw/zinc/30/66/19/801306619.db2.gz BAOYQNWNDKDLSA-HNNXBMFYSA-N 1 1 296.411 3.048 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2cc(C)sc2C)C1 ZINC001046465132 801312625 /nfs/dbraw/zinc/31/26/25/801312625.db2.gz WSWNWSIWNYKIQZ-MRXNPFEDSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2csc(Cl)c2)C1 ZINC001046673035 801321687 /nfs/dbraw/zinc/32/16/87/801321687.db2.gz CWIONCICFHWJRM-AWEZNQCLSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001046788222 801324186 /nfs/dbraw/zinc/32/41/86/801324186.db2.gz AMUBHDYNHCTQNA-JFIYKMOQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)c2ccccc2Cl)C1 ZINC001046790013 801326103 /nfs/dbraw/zinc/32/61/03/801326103.db2.gz XHBPECKJKYAFCK-MRXNPFEDSA-N 1 1 292.810 3.110 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(CC)cc2)C1 ZINC001046810875 801326249 /nfs/dbraw/zinc/32/62/49/801326249.db2.gz IEJPJCSQICILQM-GOSISDBHSA-N 1 1 286.419 3.019 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001046860973 801330448 /nfs/dbraw/zinc/33/04/48/801330448.db2.gz RABGJSXEBVFFKX-MAUKXSAKSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2coc3ccccc23)C1 ZINC001046877151 801331718 /nfs/dbraw/zinc/33/17/18/801331718.db2.gz NYRNRPKMKQKIOM-GOSISDBHSA-N 1 1 298.386 3.203 20 30 CGEDMO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](CCC(C)(C)C)C[C@@H]2C1 ZINC001048980015 801353953 /nfs/dbraw/zinc/35/39/53/801353953.db2.gz GUTHFBSZODTWRY-GASCZTMLSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC1CCC1 ZINC001049403212 801368906 /nfs/dbraw/zinc/36/89/06/801368906.db2.gz YCYFBAZVHCSRQV-IRXDYDNUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)C(C)C ZINC001049504318 801374778 /nfs/dbraw/zinc/37/47/78/801374778.db2.gz JTYOMYSBFXSECL-HZPDHXFCSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC(=C)Cl ZINC001049638163 801379099 /nfs/dbraw/zinc/37/90/99/801379099.db2.gz ZNGTXHICFNXUJO-ZIAGYGMSSA-N 1 1 296.842 3.016 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC(=C)Cl ZINC001049638163 801379108 /nfs/dbraw/zinc/37/91/08/801379108.db2.gz ZNGTXHICFNXUJO-ZIAGYGMSSA-N 1 1 296.842 3.016 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC(C)C ZINC001049639491 801379725 /nfs/dbraw/zinc/37/97/25/801379725.db2.gz PROYXCKJKLHGLM-HZPDHXFCSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)C1CC1 ZINC001049660172 801382082 /nfs/dbraw/zinc/38/20/82/801382082.db2.gz MFTBICQXJAXNPY-JKSUJKDBSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1(CC)CC1 ZINC001049697094 801383578 /nfs/dbraw/zinc/38/35/78/801383578.db2.gz IJMSVYFIMAEQLH-CVEARBPZSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC ZINC001049696821 801384989 /nfs/dbraw/zinc/38/49/89/801384989.db2.gz AIILPMMKJINRCL-YQQAZPJKSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(C)cc(C)c1 ZINC001049863197 801390782 /nfs/dbraw/zinc/39/07/82/801390782.db2.gz LSUSDIKXXNKXGV-QZTJIDSGSA-N 1 1 298.430 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(CC)CC ZINC001049910926 801393232 /nfs/dbraw/zinc/39/32/32/801393232.db2.gz WTAYIKRSJLPRIL-JKSUJKDBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(CC)CC ZINC001049911250 801393912 /nfs/dbraw/zinc/39/39/12/801393912.db2.gz YGTBZSNKCSFJKD-JKSUJKDBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)CC3CCCC3)[C@@H]2C1 ZINC001049958837 801395354 /nfs/dbraw/zinc/39/53/54/801395354.db2.gz CWFRITTXWLIEOU-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)C2=CCCCCC2)CC1 ZINC001052332902 801431108 /nfs/dbraw/zinc/43/11/08/801431108.db2.gz CQEWXNAPZWZMBM-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C)C2CCC2)CC1 ZINC001052483164 801436497 /nfs/dbraw/zinc/43/64/97/801436497.db2.gz FAYKWVXQEZGNRC-HIFRSBDPSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)C2(C3CC3)CCC2)CC1 ZINC001052596674 801438472 /nfs/dbraw/zinc/43/84/72/801438472.db2.gz LDXOEFXMRGXYRZ-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC2(C)C)CC1 ZINC001052641435 801442503 /nfs/dbraw/zinc/44/25/03/801442503.db2.gz PHJRXMXJLBXMQG-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC2(C)C)CC1 ZINC001052637921 801442728 /nfs/dbraw/zinc/44/27/28/801442728.db2.gz QKCMLXQJQICSOD-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CCC[N@H+](CCC)CC2)CC1 ZINC001052676682 801445407 /nfs/dbraw/zinc/44/54/07/801445407.db2.gz JDTSAAXXHBDQGE-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C2CC3(CC3)C2)CC1 ZINC001052697990 801449701 /nfs/dbraw/zinc/44/97/01/801449701.db2.gz CSAFFJOGYBREFH-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2csc(Cl)c2)CC1 ZINC001052767461 801450356 /nfs/dbraw/zinc/45/03/56/801450356.db2.gz VITLBEXKZGTOPI-GFCCVEGCSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C2(F)CCCCC2)CC1 ZINC001052842790 801454314 /nfs/dbraw/zinc/45/43/14/801454314.db2.gz AWRYASREPZQOJP-HNNXBMFYSA-N 1 1 296.430 3.206 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)cc(C)c2)CC1 ZINC001052893558 801454839 /nfs/dbraw/zinc/45/48/39/801454839.db2.gz BXSVENBVZRGZBG-QGZVFWFLSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](NC(=O)c2cccc(C3CC3)c2)CC1 ZINC001052963035 801457465 /nfs/dbraw/zinc/45/74/65/801457465.db2.gz RIUKLQLPHBYPCZ-SFHVURJKSA-N 1 1 298.430 3.334 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC001053053106 801464705 /nfs/dbraw/zinc/46/47/05/801464705.db2.gz YRVYQDWIPJLVIB-HZPDHXFCSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C(C)C)C1 ZINC001053073875 801467965 /nfs/dbraw/zinc/46/79/65/801467965.db2.gz YSILZINZDISJCR-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)CC)C2 ZINC001054090458 801473042 /nfs/dbraw/zinc/47/30/42/801473042.db2.gz BGOXFJWYCJAHTP-WMZOPIPTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@H+]1Cc2ccc(CNC(=O)c3ccco3)cc2C1 ZINC001054253113 801482238 /nfs/dbraw/zinc/48/22/38/801482238.db2.gz NAMDISZIZWVKGF-UHFFFAOYSA-N 1 1 296.370 3.101 20 30 CGEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC3(C)C)cc2C1 ZINC001054277774 801484506 /nfs/dbraw/zinc/48/45/06/801484506.db2.gz RNSWPZAIDBUJSM-KRWDZBQOSA-N 1 1 298.430 3.241 20 30 CGEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC3(C)C)cc2C1 ZINC001054277774 801484511 /nfs/dbraw/zinc/48/45/11/801484511.db2.gz RNSWPZAIDBUJSM-KRWDZBQOSA-N 1 1 298.430 3.241 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)C2CCCC2)CC[C@@H]1C ZINC001071294492 801522155 /nfs/dbraw/zinc/52/21/55/801522155.db2.gz UCNIJOUPKCFTKB-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(C)s2)CC[C@H]1C ZINC001071300160 801524568 /nfs/dbraw/zinc/52/45/68/801524568.db2.gz QLUPEZZTBOSYDF-OCCSQVGLSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)C=C2CCCCC2)CC[C@H]1C ZINC001071373730 801531596 /nfs/dbraw/zinc/53/15/96/801531596.db2.gz NQXJAAZPORAYCF-NVXWUHKLSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2occc2C)CC[C@@H]1C ZINC001071351897 801533104 /nfs/dbraw/zinc/53/31/04/801533104.db2.gz JVBFWSJRKUWHDX-LSDHHAIUSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)c2occc2CC)CC[C@H]1C ZINC001071800133 801552623 /nfs/dbraw/zinc/55/26/23/801552623.db2.gz RPDFSRQSEOXJNT-UKRRQHHQSA-N 1 1 290.407 3.001 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2occc2Cl)CC[C@H]1C ZINC001071795614 801552678 /nfs/dbraw/zinc/55/26/78/801552678.db2.gz MJBUCVHQQVYEQI-VXGBXAGGSA-N 1 1 296.798 3.092 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC3CCC3)C2)C1 ZINC001071803278 801553112 /nfs/dbraw/zinc/55/31/12/801553112.db2.gz JYRTTZBVNIOHBC-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO C=Cc1ccc(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC(=C)C)C2)cc1 ZINC001071828302 801554099 /nfs/dbraw/zinc/55/40/99/801554099.db2.gz MNUJPPPPGUBROF-YJBOKZPZSA-N 1 1 298.430 3.488 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C2CCC=CCC2)CC[C@@H]1C ZINC001072078674 801563288 /nfs/dbraw/zinc/56/32/88/801563288.db2.gz JUADRAALEQNJPJ-RDJZCZTQSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC[N@@H+]1CCC2(CN(C(=O)c3ccccc3C(C)C)C2)C1 ZINC001072800216 801573459 /nfs/dbraw/zinc/57/34/59/801573459.db2.gz ICZNSLBVEPJKFD-UHFFFAOYSA-N 1 1 298.430 3.144 20 30 CGEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)CC3(C)CCCC3)C2)C1 ZINC001072690813 801573676 /nfs/dbraw/zinc/57/36/76/801573676.db2.gz NVNWVCWMHPZNKJ-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C1CCC(C(=O)N2CCCC[C@@H]2C[N@H+](C)CC)CC1 ZINC001074060150 801585719 /nfs/dbraw/zinc/58/57/19/801585719.db2.gz KGNRBRMPRHMGIF-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(C)c2)C1 ZINC001079382847 801642650 /nfs/dbraw/zinc/64/26/50/801642650.db2.gz QZDAEAFIKHGJNY-NVXWUHKLSA-N 1 1 286.419 3.011 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1C(C)(C)C1(C)C ZINC001085536637 801691430 /nfs/dbraw/zinc/69/14/30/801691430.db2.gz GKWGKGKDWBHVHO-CQSZACIVSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1oc(C)cc1C ZINC001085537708 801691982 /nfs/dbraw/zinc/69/19/82/801691982.db2.gz FVFXTNGCKROARH-HNNXBMFYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC(C)=C(C)C1 ZINC001085612420 801696973 /nfs/dbraw/zinc/69/69/73/801696973.db2.gz QXSRUWNAMWCHHP-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC12CC2 ZINC001085670499 801698736 /nfs/dbraw/zinc/69/87/36/801698736.db2.gz XGBYVCKIFWYGIL-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[C@H](C)CC1 ZINC001085935511 801712545 /nfs/dbraw/zinc/71/25/45/801712545.db2.gz HFYKVZSMUDTRAK-ULQDDVLXSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2ccccc2o1 ZINC001085960934 801713121 /nfs/dbraw/zinc/71/31/21/801713121.db2.gz SGXOOORWMVIAFH-HNNXBMFYSA-N 1 1 298.386 3.155 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2ccccc2o1 ZINC001085960934 801713127 /nfs/dbraw/zinc/71/31/27/801713127.db2.gz SGXOOORWMVIAFH-HNNXBMFYSA-N 1 1 298.386 3.155 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@]2(C)C=CCC2)[C@H]1CC ZINC001087690750 801762623 /nfs/dbraw/zinc/76/26/23/801762623.db2.gz PJZZDXXEXCBETK-LZLYRXPVSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C2CCCC2)[C@H]1CC ZINC001087791459 801769183 /nfs/dbraw/zinc/76/91/83/801769183.db2.gz LKSRRHJYIYUQBU-HYVNUMGLSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C(C)(C)C)C[C@@H]2C1 ZINC001088013455 801774502 /nfs/dbraw/zinc/77/45/02/801774502.db2.gz GAYXCPSQCGLYEP-OAGGEKHMSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)[C@H]1C ZINC001088576247 801801189 /nfs/dbraw/zinc/80/11/89/801801189.db2.gz FFVDSCYANWDHFF-QXSJWSMHSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2occc2Cl)[C@H]1C ZINC001088839597 801810645 /nfs/dbraw/zinc/81/06/45/801810645.db2.gz TZIZHOMOOHQKLN-YPMHNXCESA-N 1 1 296.798 3.092 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CCC2)CC(C)(C)C1 ZINC001089296236 801831540 /nfs/dbraw/zinc/83/15/40/801831540.db2.gz PHRHEWCBRXVRCN-AWEZNQCLSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccoc2)CC(C)(C)C1 ZINC001089318037 801833977 /nfs/dbraw/zinc/83/39/77/801833977.db2.gz NBJFVSNCNWYJPA-OAHLLOKOSA-N 1 1 290.407 3.076 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C=C2CCC2)CC(C)(C)C1 ZINC001089358198 801834712 /nfs/dbraw/zinc/83/47/12/801834712.db2.gz ULIDGOVXQOPSCT-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2CC(C)C2)CC(C)(C)C1 ZINC001089358341 801835351 /nfs/dbraw/zinc/83/53/51/801835351.db2.gz VMVGOHLNDVFFRQ-GPANFISMSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2=CCCC2)CC(C)(C)C1 ZINC001089361152 801835930 /nfs/dbraw/zinc/83/59/30/801835930.db2.gz SUZZFEWVUYNVOK-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CCCC1 ZINC001089602134 801846562 /nfs/dbraw/zinc/84/65/62/801846562.db2.gz XFLBAOCVGUNRKS-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C1CCCC1)C2 ZINC001096313779 801887406 /nfs/dbraw/zinc/88/74/06/801887406.db2.gz OKURUPKXOSVHTG-ORQFMDKSSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C)cc1)C2 ZINC001096411708 801890970 /nfs/dbraw/zinc/89/09/70/801890970.db2.gz ARKBIUIDACIISP-SQNIBIBYSA-N 1 1 298.430 3.296 20 30 CGEDMO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H](C)CCC ZINC001098960121 801922509 /nfs/dbraw/zinc/92/25/09/801922509.db2.gz LRSULOUOHODBPO-HOTGVXAUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1C/C=C\Cl ZINC001098965785 801922774 /nfs/dbraw/zinc/92/27/74/801922774.db2.gz BJGWEWLUMWMJIH-LBIZBFCRSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)/C=C\C1CC1 ZINC001099007952 801923769 /nfs/dbraw/zinc/92/37/69/801923769.db2.gz KRIMSNDWAYATFL-PTZVLDCSSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC1CC1 ZINC001098989274 801924502 /nfs/dbraw/zinc/92/45/02/801924502.db2.gz WIYFBZZTIHTMAR-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)CCCC ZINC001099048336 801926513 /nfs/dbraw/zinc/92/65/13/801926513.db2.gz FKFHWKSSGBVHFL-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(CC)CC ZINC001099343713 801936181 /nfs/dbraw/zinc/93/61/81/801936181.db2.gz BCTFZMYRZRXYPG-HNNXBMFYSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)CC(C)(C)C)C[C@]2(C)C1 ZINC001101126427 801971709 /nfs/dbraw/zinc/97/17/09/801971709.db2.gz OUZBILQTJIMOMI-QAPCUYQASA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](CC)CCCC)C[C@]2(C)C1 ZINC001101138092 801974102 /nfs/dbraw/zinc/97/41/02/801974102.db2.gz ZNNBGEOOHSHZGD-NUJGCVRESA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC(C)(C)C(=O)N1C[C@H]2C[N@H+](CC(C)C)C[C@@]2(C)C1 ZINC001101377298 801977405 /nfs/dbraw/zinc/97/74/05/801977405.db2.gz XWFKXLKMUMNOHM-QAPCUYQASA-N 1 1 292.467 3.025 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101384879 801978137 /nfs/dbraw/zinc/97/81/37/801978137.db2.gz WKPIRXQPVZLFOY-RKVPGOIHSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCCCC(=O)N1C[C@H]2C[N@H+](CCC(=C)C)C[C@@]2(C)C1 ZINC001101347884 801978627 /nfs/dbraw/zinc/97/86/27/801978627.db2.gz NGNDDRLFJOFZQO-AEFFLSMTSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1C[N@@H+](CC/C=C/CC)C[C@H]1C ZINC001102230087 802000982 /nfs/dbraw/zinc/00/09/82/802000982.db2.gz QOHSUZKVWYZYCN-GUFYHEMZSA-N 1 1 292.467 3.239 20 30 CGEDMO C=CCCCC(=O)NC[C@@H]1C[N@@H+](CCCC(C)C)C[C@H]1C ZINC001102297188 802003957 /nfs/dbraw/zinc/00/39/57/802003957.db2.gz MYXMPCPHAZEBSN-IAGOWNOFSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](CNC(=O)CCCC(C)C)[C@H](C)C1 ZINC001102396105 802007310 /nfs/dbraw/zinc/00/73/10/802007310.db2.gz NLQXJEMLSQILDG-IAGOWNOFSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](CNC(=O)C2(CC)CCCC2)[C@H](C)C1 ZINC001102493349 802010324 /nfs/dbraw/zinc/01/03/24/802010324.db2.gz JHJRZFZGLRQESD-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCCC)C1 ZINC001102664861 802017598 /nfs/dbraw/zinc/01/75/98/802017598.db2.gz LVENVXSAVHRGJM-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)CCC)C1 ZINC001102758723 802019230 /nfs/dbraw/zinc/01/92/30/802019230.db2.gz PGAGQXUGQCJNBR-BRWVUGGUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCC(=O)NCC[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C ZINC001102762079 802020091 /nfs/dbraw/zinc/02/00/91/802020091.db2.gz MJDWGFKHABYVEP-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC2CCC2)C1 ZINC001102834785 802021620 /nfs/dbraw/zinc/02/16/20/802021620.db2.gz ZAULGEIYYAAKGV-NVXWUHKLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CCC(=O)NCC[C@@H]1C[N@H+](CCC(=C)C)C[C@H]1C ZINC001103040257 802026821 /nfs/dbraw/zinc/02/68/21/802026821.db2.gz MSGIWWWNIGQWAQ-IAGOWNOFSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)C2CCC2)C1 ZINC001103278752 802028260 /nfs/dbraw/zinc/02/82/60/802028260.db2.gz VIJKLVYPMDNQQD-HUUCEWRRSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)CCC)C1 ZINC001103387316 802033521 /nfs/dbraw/zinc/03/35/21/802033521.db2.gz SDPNCTYMWFHCIV-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)C[C@H](C)CCC)CCC[C@@H]12 ZINC001107322985 802086570 /nfs/dbraw/zinc/08/65/70/802086570.db2.gz LAHRBWCSFSEKIC-JFIYKMOQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](C[C@H](C)CC)CC2 ZINC001107327050 802086635 /nfs/dbraw/zinc/08/66/35/802086635.db2.gz PPCPFXAYTYHKJY-JFIYKMOQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CCC)C2 ZINC001109094266 802108323 /nfs/dbraw/zinc/10/83/23/802108323.db2.gz VSRTVHJYJWDODD-WCVJEAGWSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](F)CC ZINC001109343316 802114755 /nfs/dbraw/zinc/11/47/55/802114755.db2.gz SQZMCLVKJHIIAY-XGUBFFRZSA-N 1 1 296.430 3.058 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(C)C1 ZINC001109353842 802115497 /nfs/dbraw/zinc/11/54/97/802115497.db2.gz ZXXBUGOYGUUKGD-JWRYVHENSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](F)CC ZINC001109596505 802116169 /nfs/dbraw/zinc/11/61/69/802116169.db2.gz UKOMGQJDHKPETK-KBXIAJHMSA-N 1 1 296.430 3.058 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](F)CC ZINC001109596505 802116173 /nfs/dbraw/zinc/11/61/73/802116173.db2.gz UKOMGQJDHKPETK-KBXIAJHMSA-N 1 1 296.430 3.058 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C(=C)C)C2 ZINC001109596377 802116448 /nfs/dbraw/zinc/11/64/48/802116448.db2.gz OOLRLOVAOUHMNX-PMPSAXMXSA-N 1 1 290.451 3.276 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C)CCC1)C2 ZINC001109601962 802119633 /nfs/dbraw/zinc/11/96/33/802119633.db2.gz WFAWDOMPXXRALM-FZKCQIBNSA-N 1 1 290.451 3.253 20 30 CGEDMO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCC ZINC001109657959 802120271 /nfs/dbraw/zinc/12/02/71/802120271.db2.gz LRVURNSQLDGGCD-PMPSAXMXSA-N 1 1 278.440 3.254 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC ZINC001109634751 802120616 /nfs/dbraw/zinc/12/06/16/802120616.db2.gz WFJAGMZLSJRCEF-FZKCQIBNSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1 ZINC001109656260 802121354 /nfs/dbraw/zinc/12/13/54/802121354.db2.gz LHPVCMMZQFZQBS-SQNIBIBYSA-N 1 1 298.430 3.264 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CC1CCCC1)C2 ZINC001109795100 802124361 /nfs/dbraw/zinc/12/43/61/802124361.db2.gz VTOKTWIYOXFYEY-SIXLDLHFSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC ZINC001109767558 802124860 /nfs/dbraw/zinc/12/48/60/802124860.db2.gz AHYLPOINUOETDT-ILXRZTDVSA-N 1 1 278.440 3.110 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)CCC)C2 ZINC001109891797 802127916 /nfs/dbraw/zinc/12/79/16/802127916.db2.gz UJSOMDCTGKBBEX-WCVJEAGWSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C)C2 ZINC001110016445 802130145 /nfs/dbraw/zinc/13/01/45/802130145.db2.gz ORUCMIFJJFFDMA-KBXIAJHMSA-N 1 1 278.440 3.109 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](CC)C(C)(C)C)C2 ZINC001109970183 802130216 /nfs/dbraw/zinc/13/02/16/802130216.db2.gz QXGPOOLDXDDZGL-WCVJEAGWSA-N 1 1 292.467 3.356 20 30 CGEDMO CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)F)C2 ZINC001110234796 802134295 /nfs/dbraw/zinc/13/42/95/802134295.db2.gz GEZCLJMEHJJKRW-KFWWJZLASA-N 1 1 298.446 3.426 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1=CCCC1)C2 ZINC001110440247 802142819 /nfs/dbraw/zinc/14/28/19/802142819.db2.gz JJHPWHRLLAVNQW-DZUCGIPZSA-N 1 1 288.435 3.173 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(C)C ZINC001110933321 802150238 /nfs/dbraw/zinc/15/02/38/802150238.db2.gz JORPOWSKJCBCRP-HZMVEIRTSA-N 1 1 290.451 3.276 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)CC(C)(C)C)C2 ZINC001111107465 802154251 /nfs/dbraw/zinc/15/42/51/802154251.db2.gz VWCODURXPWJYQQ-FPCVCCKLSA-N 1 1 292.467 3.356 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)CCC)C2 ZINC001111190215 802156883 /nfs/dbraw/zinc/15/68/83/802156883.db2.gz UJSOMDCTGKBBEX-FPCVCCKLSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)/C(C)=C/C)C1 ZINC001111694728 802166231 /nfs/dbraw/zinc/16/62/31/802166231.db2.gz IAVGXSUJHAFDAJ-GANSBTNOSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)CC(C)(C)C)C1 ZINC001111894393 802170480 /nfs/dbraw/zinc/17/04/80/802170480.db2.gz DDRKSGWMIRSKOM-VKJFTORMSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCCCC[NH+]1CCN(C(=O)c2cc(C)co2)CC1 ZINC001113223673 802206683 /nfs/dbraw/zinc/20/66/83/802206683.db2.gz JSUHZCARWKXPHL-UHFFFAOYSA-N 1 1 290.407 3.092 20 30 CGEDMO C=CCC1(C(=O)N2CC[NH+](CC/C=C/CC)CC2)CCC1 ZINC001113312515 802213997 /nfs/dbraw/zinc/21/39/97/802213997.db2.gz AFVIFFNFJIMKMS-AATRIKPKSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCCC[NH+]1CCN(C(=O)c2sccc2CC)CC1 ZINC001113672479 802232013 /nfs/dbraw/zinc/23/20/13/802232013.db2.gz VURFSAUNGHANKC-UHFFFAOYSA-N 1 1 292.448 3.035 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(C)c1 ZINC001113805571 802234283 /nfs/dbraw/zinc/23/42/83/802234283.db2.gz GLORTUOYCAOPFF-DZJNRPSUSA-N 1 1 298.430 3.010 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCCC(C)(C)C ZINC001114324612 802240431 /nfs/dbraw/zinc/24/04/31/802240431.db2.gz XNZNXDPRVUEZGR-QLPKVWCKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](CCCCCCC)C[C@H]21 ZINC001114759775 802244460 /nfs/dbraw/zinc/24/44/60/802244460.db2.gz OHPOAFZQNJVQHJ-VQFNDLOPSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@](C)(CC)CCC ZINC001115030907 802250585 /nfs/dbraw/zinc/25/05/85/802250585.db2.gz NYNKNCJUGZICNV-LHHMISFZSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCn1cnn(C[N@@H+]2C[C@H](C)[C@@H]3CCCC[C@@H]32)c1=S ZINC001116533167 802373046 /nfs/dbraw/zinc/37/30/46/802373046.db2.gz JXNCUJWDVTYVJU-IHRRRGAJSA-N 1 1 292.452 3.068 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC001116542689 802376219 /nfs/dbraw/zinc/37/62/19/802376219.db2.gz VEGOMKBGGHMRME-GFCCVEGCSA-N 1 1 290.388 3.180 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC001116542689 802376224 /nfs/dbraw/zinc/37/62/24/802376224.db2.gz VEGOMKBGGHMRME-GFCCVEGCSA-N 1 1 290.388 3.180 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CC[C@H](OC(=O)OC(C)(C)C)C1 ZINC001172490974 808350052 /nfs/dbraw/zinc/35/00/52/808350052.db2.gz BEASDJVFUCURBE-STQMWFEESA-N 1 1 282.384 3.095 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)/C=C(\C)C2CC2)C1 ZINC001270942522 808754920 /nfs/dbraw/zinc/75/49/20/808754920.db2.gz ZIWJVXWRQXHJTK-NKAIQICCSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cnc3c(F)cccc3c2)C1 ZINC001119300697 802644721 /nfs/dbraw/zinc/64/47/21/802644721.db2.gz DFLOWMPAXFENHM-OAHLLOKOSA-N 1 1 286.350 3.151 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2oc(-c3ccccc3)nc2C)C1 ZINC001119307868 802647106 /nfs/dbraw/zinc/64/71/06/802647106.db2.gz DUJVFOMVTZVKDL-INIZCTEOSA-N 1 1 298.386 3.427 20 30 CGEDMO CCOC(=O)C[C@@H]1CCC[N@H+]1CCCCC1(C#N)CCC1 ZINC001119719170 802694900 /nfs/dbraw/zinc/69/49/00/802694900.db2.gz DJWMDKBSBYQPLH-HNNXBMFYSA-N 1 1 292.423 3.268 20 30 CGEDMO C[N@H+]1CC[C@H]2[C@H](CCCN2c2ccc(C#N)cc2Cl)C1 ZINC001119947001 802712326 /nfs/dbraw/zinc/71/23/26/802712326.db2.gz JYQHXIRSISYWBJ-HIFRSBDPSA-N 1 1 289.810 3.132 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)/C(C)=C\CC)C1 ZINC001120339286 802739362 /nfs/dbraw/zinc/73/93/62/802739362.db2.gz VFUVUAHNRLKXEG-IFORROHYSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001120348246 802740900 /nfs/dbraw/zinc/74/09/00/802740900.db2.gz SBVLCOVMGWKMQC-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCCF)C1 ZINC001120423639 802744628 /nfs/dbraw/zinc/74/46/28/802744628.db2.gz VVWYGFZNOVGGIZ-JKSUJKDBSA-N 1 1 296.430 3.015 20 30 CGEDMO C[N@H+]1CCCC[C@@H]1CNc1ncc(C#N)c2ccsc21 ZINC001120883479 802790563 /nfs/dbraw/zinc/79/05/63/802790563.db2.gz DJQFOYSNJONPFX-GFCCVEGCSA-N 1 1 286.404 3.064 20 30 CGEDMO C=CCn1ccc2c1nc[nH+]c2NCCCc1ccncc1 ZINC001165500070 807005991 /nfs/dbraw/zinc/00/59/91/807005991.db2.gz QSRFDPGLEMQIQU-UHFFFAOYSA-N 1 1 293.374 3.057 20 30 CGEDMO N#C[C@@H]1CC=C(c2cccc(CN3CCC([NH3+])CC3)c2)CC1 ZINC001243796737 803015207 /nfs/dbraw/zinc/01/52/07/803015207.db2.gz YKFSXQMEIIDSEY-OAHLLOKOSA-N 1 1 295.430 3.317 20 30 CGEDMO C=CCN(CC1CCCCC1)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001126141630 803084647 /nfs/dbraw/zinc/08/46/47/803084647.db2.gz NNUJRSBFIMDNSV-KRWDZBQOSA-N 1 1 292.467 3.454 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](NC(=O)C(F)F)CC[C@H]1C ZINC001131742771 803339935 /nfs/dbraw/zinc/33/99/35/803339935.db2.gz HFDMRPLNIADJIZ-OLZOCXBDSA-N 1 1 290.398 3.191 20 30 CGEDMO C=CCCC[N@H+]1C[C@H](NC(=O)CCC(C)C)CC[C@@H]1C ZINC001131787755 803346379 /nfs/dbraw/zinc/34/63/79/803346379.db2.gz LQVQZCYSYQEXRM-JKSUJKDBSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H](NC(=O)C(C)C)CC[C@@H]1C ZINC001131808305 803348751 /nfs/dbraw/zinc/34/87/51/803348751.db2.gz JUIZUPXFFISSQF-HOTGVXAUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)C(CC)CC)CC[C@@H]1C ZINC001131838258 803349740 /nfs/dbraw/zinc/34/97/40/803349740.db2.gz HKEQYNRFEXNDCP-HOCLYGCPSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC2CC(C)(C)C2)C1 ZINC001131894962 803355525 /nfs/dbraw/zinc/35/55/25/803355525.db2.gz DOJLPMSWROVHBF-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)CSCCC)CC[C@H]1C ZINC001131903548 803356024 /nfs/dbraw/zinc/35/60/24/803356024.db2.gz IWPPVIPDHQUACD-CABCVRRESA-N 1 1 298.496 3.065 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)/C=C\C(C)(C)C)CC[C@H]1C ZINC001131912413 803357067 /nfs/dbraw/zinc/35/70/67/803357067.db2.gz XJJTYUBWGUYMBC-CINZJOAMSA-N 1 1 278.440 3.134 20 30 CGEDMO CC(C)C#CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCC(C)(C)C)C1 ZINC001132020992 803367735 /nfs/dbraw/zinc/36/77/35/803367735.db2.gz JQUPOCSZICMOKD-HZPDHXFCSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)CC(C)(C)C=C)CC[C@H]1C ZINC001132060752 803370815 /nfs/dbraw/zinc/37/08/15/803370815.db2.gz KNEUOIDNBXUMHW-HUUCEWRRSA-N 1 1 278.440 3.134 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCC2CC2)C1 ZINC001132073994 803372551 /nfs/dbraw/zinc/37/25/51/803372551.db2.gz ZMOXKSNEFZLPJZ-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)CC2(C)CC2)CC[C@H]1C ZINC001132191250 803377689 /nfs/dbraw/zinc/37/76/89/803377689.db2.gz RQNFPLLLNSKDKS-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)C2(CCF)CC2)CC[C@@H]1C ZINC001132198693 803378570 /nfs/dbraw/zinc/37/85/70/803378570.db2.gz ASRMGRBUOGOWRJ-GJZGRUSLSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)C2(CCF)CC2)CC[C@H]1C ZINC001132198691 803378933 /nfs/dbraw/zinc/37/89/33/803378933.db2.gz ASRMGRBUOGOWRJ-CABCVRRESA-N 1 1 296.430 3.062 20 30 CGEDMO CC#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCC(C)C)C1 ZINC001132225128 803382137 /nfs/dbraw/zinc/38/21/37/803382137.db2.gz SSUAJUCIINAKSP-SJORKVTESA-N 1 1 292.467 3.195 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](CCC(=C)C)C1 ZINC001132228728 803384317 /nfs/dbraw/zinc/38/43/17/803384317.db2.gz VSRBHCCENFIJJF-GJZGRUSLSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)c2cc(C)co2)CC[C@@H]1C ZINC001132235383 803384487 /nfs/dbraw/zinc/38/44/87/803384487.db2.gz MSNPFSUXODUWEI-LSDHHAIUSA-N 1 1 290.407 3.137 20 30 CGEDMO C#CCCCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(C)C)C1 ZINC001132241511 803384840 /nfs/dbraw/zinc/38/48/40/803384840.db2.gz VRWVLHWDVYVILT-DLBZAZTESA-N 1 1 292.467 3.195 20 30 CGEDMO C#CCCCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCCC)C1 ZINC001132241111 803385665 /nfs/dbraw/zinc/38/56/65/803385665.db2.gz QSJKEYZPJYYMHT-SJORKVTESA-N 1 1 292.467 3.339 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)C2(C)CC=CC2)CC[C@H]1C ZINC001132266484 803388494 /nfs/dbraw/zinc/38/84/94/803388494.db2.gz XJXLDKRYBZETHA-CVEARBPZSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)C2(C)CC(=C)C2)CC[C@H]1C ZINC001132288724 803391370 /nfs/dbraw/zinc/39/13/70/803391370.db2.gz VRNSBJBYOOXACL-CVEARBPZSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)C2(CC)CC2)CC[C@H]1C ZINC001132287678 803392121 /nfs/dbraw/zinc/39/21/21/803392121.db2.gz IWMXZBHWPWPNBM-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C#CCC[N@H+]1C[C@H](NC(=O)C(CC)(CC)CC)CC[C@@H]1C ZINC001132383947 803399594 /nfs/dbraw/zinc/39/95/94/803399594.db2.gz GNRYOWPIWOQKLF-JKSUJKDBSA-N 1 1 292.467 3.195 20 30 CGEDMO C#CC[N@H+]1C[C@H](NC(=O)CCCCCCCC)CC[C@@H]1C ZINC001132441655 803404892 /nfs/dbraw/zinc/40/48/92/803404892.db2.gz RTLSYCXSCBGLHB-DLBZAZTESA-N 1 1 292.467 3.339 20 30 CGEDMO C=CC(C)(C)CCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001133391892 803472245 /nfs/dbraw/zinc/47/22/45/803472245.db2.gz XPQDKINRHMSRCL-QGZVFWFLSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2cnn(COC)c2)cc1 ZINC001245222173 803666177 /nfs/dbraw/zinc/66/61/77/803666177.db2.gz HLEZVDCKNDNGNI-GOSISDBHSA-N 1 1 297.402 3.477 20 30 CGEDMO Cc1csc(C[NH+]2CCC(C#N)CC2)c1Cl ZINC001137286017 803708885 /nfs/dbraw/zinc/70/88/85/803708885.db2.gz SIOSCUOARNEIMC-UHFFFAOYSA-N 1 1 254.786 3.446 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2c[nH]c3ccc(F)cc23)CC1 ZINC001137341183 803718947 /nfs/dbraw/zinc/71/89/47/803718947.db2.gz BIJNMIRSQAKGGI-LBPRGKRZSA-N 1 1 271.339 3.433 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc(F)c(Br)c2)C1 ZINC001137558406 803741056 /nfs/dbraw/zinc/74/10/56/803741056.db2.gz VMTBJTLJNYIXME-NSHDSACASA-N 1 1 296.183 3.433 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(F)c(Br)c2)C1 ZINC001137558406 803741061 /nfs/dbraw/zinc/74/10/61/803741061.db2.gz VMTBJTLJNYIXME-NSHDSACASA-N 1 1 296.183 3.433 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC001137654253 803749973 /nfs/dbraw/zinc/74/99/73/803749973.db2.gz GEUSSFCBGAHEAO-LLVKDONJSA-N 1 1 251.732 3.324 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC001137654253 803749977 /nfs/dbraw/zinc/74/99/77/803749977.db2.gz GEUSSFCBGAHEAO-LLVKDONJSA-N 1 1 251.732 3.324 20 30 CGEDMO C#CC1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC001137661272 803752348 /nfs/dbraw/zinc/75/23/48/803752348.db2.gz MCXBFKWHZTVVCY-UHFFFAOYSA-N 1 1 251.732 3.324 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1cccc(-c2cncnc2)c1 ZINC001137769111 803770292 /nfs/dbraw/zinc/77/02/92/803770292.db2.gz OGPFEKROHFHMDA-UHFFFAOYSA-N 1 1 280.375 3.269 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1cccc(-c2cncnc2)c1 ZINC001137769111 803770295 /nfs/dbraw/zinc/77/02/95/803770295.db2.gz OGPFEKROHFHMDA-UHFFFAOYSA-N 1 1 280.375 3.269 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1ccc2ncccc2c1 ZINC001138110463 803857509 /nfs/dbraw/zinc/85/75/09/803857509.db2.gz IACBDWPRRDZDBR-UHFFFAOYSA-N 1 1 253.349 3.360 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1ccc2ncccc2c1 ZINC001138110463 803857517 /nfs/dbraw/zinc/85/75/17/803857517.db2.gz IACBDWPRRDZDBR-UHFFFAOYSA-N 1 1 253.349 3.360 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)cc1OC ZINC001138345412 803899164 /nfs/dbraw/zinc/89/91/64/803899164.db2.gz FUIOEIPRRSJXCJ-CABCVRRESA-N 1 1 287.403 3.328 20 30 CGEDMO CCCCCCC[N@@H+](CC)Cc1cnc(N(C)C)nc1 ZINC001138352189 803900759 /nfs/dbraw/zinc/90/07/59/803900759.db2.gz PJWAAEDTADPNLY-UHFFFAOYSA-N 1 1 278.444 3.335 20 30 CGEDMO CCc1cccc2c(C[N@@H+]3CC[C@@](C)(C#N)C3)c[nH]c21 ZINC001138363143 803903823 /nfs/dbraw/zinc/90/38/23/803903823.db2.gz GFSFIWHXGINZBN-KRWDZBQOSA-N 1 1 267.376 3.466 20 30 CGEDMO CCc1cccc2c(C[N@H+]3CC[C@@](C)(C#N)C3)c[nH]c21 ZINC001138363143 803903831 /nfs/dbraw/zinc/90/38/31/803903831.db2.gz GFSFIWHXGINZBN-KRWDZBQOSA-N 1 1 267.376 3.466 20 30 CGEDMO C#CCOc1ccc(C[N@H+](C)Cc2cccnc2C)cc1 ZINC001138560145 803968229 /nfs/dbraw/zinc/96/82/29/803968229.db2.gz IMXYOOMGWATGNF-UHFFFAOYSA-N 1 1 280.371 3.034 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2CCC[C@@](C)(CO)CC2)c1O ZINC001138624342 803982650 /nfs/dbraw/zinc/98/26/50/803982650.db2.gz DYFLPGDAVFRIMS-GOSISDBHSA-N 1 1 289.419 3.105 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CC[C@H](N(CC)CC)C2)c1O ZINC001138627828 803985151 /nfs/dbraw/zinc/98/51/51/803985151.db2.gz GGBGLOAFNISPRA-KRWDZBQOSA-N 1 1 288.435 3.037 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2CC[C@H](N(CC)CC)C2)c1O ZINC001138627828 803985154 /nfs/dbraw/zinc/98/51/54/803985154.db2.gz GGBGLOAFNISPRA-KRWDZBQOSA-N 1 1 288.435 3.037 20 30 CGEDMO C=CCc1cccc(C[N@@H+](C)C[C@@H]2CCCCO2)c1O ZINC001138629424 803985284 /nfs/dbraw/zinc/98/52/84/803985284.db2.gz YOILYHTVVBVFFY-INIZCTEOSA-N 1 1 275.392 3.122 20 30 CGEDMO C=CCc1cccc(C[N@H+](CCCCCO)C(C)C)c1O ZINC001138630524 803986444 /nfs/dbraw/zinc/98/64/44/803986444.db2.gz YBLNVUSLOVZRDP-UHFFFAOYSA-N 1 1 291.435 3.494 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1CCC[C@H](C)[C@@H]1CO ZINC001138662319 803995454 /nfs/dbraw/zinc/99/54/54/803995454.db2.gz UFQQSGSSBYJIDF-RDJZCZTQSA-N 1 1 289.419 3.234 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+](CCC)CCOC ZINC001138663159 803997426 /nfs/dbraw/zinc/99/74/26/803997426.db2.gz OVONAGMDHOKJQG-UHFFFAOYSA-N 1 1 277.408 3.500 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)Cc1cccnc1NC ZINC001138696621 804007580 /nfs/dbraw/zinc/00/75/80/804007580.db2.gz VAQYZABVPYBUFC-UHFFFAOYSA-N 1 1 267.376 3.312 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cccnc1NC ZINC001138696621 804007589 /nfs/dbraw/zinc/00/75/89/804007589.db2.gz VAQYZABVPYBUFC-UHFFFAOYSA-N 1 1 267.376 3.312 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[NH2+]CC(C)(C)N ZINC001245989990 804095444 /nfs/dbraw/zinc/09/54/44/804095444.db2.gz HUEUMQWPPSUDDN-HNNXBMFYSA-N 1 1 272.477 3.205 20 30 CGEDMO CCCCCCCCCC[C@H](O)CNCC(C)(C)[NH3+] ZINC001245989990 804095449 /nfs/dbraw/zinc/09/54/49/804095449.db2.gz HUEUMQWPPSUDDN-HNNXBMFYSA-N 1 1 272.477 3.205 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[NH2+][C@H]1CCC[C@@H]1N ZINC001246003869 804097186 /nfs/dbraw/zinc/09/71/86/804097186.db2.gz VQFMRDWWMMLTPP-IKGGRYGDSA-N 1 1 284.488 3.348 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(OCC)cc2OCC)C1 ZINC001138979783 804097395 /nfs/dbraw/zinc/09/73/95/804097395.db2.gz LHQNROBNIIDPJB-HNNXBMFYSA-N 1 1 287.403 3.329 20 30 CGEDMO CCCCCCCCCC[C@@H](O)CN[C@H]1C[C@H]([NH2+]C)C1 ZINC001246006126 804099170 /nfs/dbraw/zinc/09/91/70/804099170.db2.gz ATARRQFRTPUOSM-BRWVUGGUSA-N 1 1 284.488 3.218 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[NH2+]C[C@H](N)CC ZINC001246005137 804099214 /nfs/dbraw/zinc/09/92/14/804099214.db2.gz QZBVXDOLHJNANI-HZPDHXFCSA-N 1 1 272.477 3.205 20 30 CGEDMO CCCCCCCCCC[C@@H](O)CNC[C@H]([NH3+])CC ZINC001246005137 804099223 /nfs/dbraw/zinc/09/92/23/804099223.db2.gz QZBVXDOLHJNANI-HZPDHXFCSA-N 1 1 272.477 3.205 20 30 CGEDMO C#CC(CC)(CC)N[C@@H]1CC[NH2+][C@@H](CCCC)C1 ZINC001246073313 804112056 /nfs/dbraw/zinc/11/20/56/804112056.db2.gz XDDOTYOSRZSXQF-LSDHHAIUSA-N 1 1 250.430 3.079 20 30 CGEDMO CCCCCCC[C@H](CC(C)C)[NH2+][C@H]1CN[C@@H]2CCO[C@@H]21 ZINC001246152199 804171063 /nfs/dbraw/zinc/17/10/63/804171063.db2.gz LHSLUTMJRWNRAI-BDXSIMOUSA-N 1 1 296.499 3.481 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(Cl)n1 ZINC001139550260 804205921 /nfs/dbraw/zinc/20/59/21/804205921.db2.gz ZHAJHDNYMVYIBG-UOJUARBOSA-N 1 1 261.756 3.002 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(Cl)n1 ZINC001139550260 804205929 /nfs/dbraw/zinc/20/59/29/804205929.db2.gz ZHAJHDNYMVYIBG-UOJUARBOSA-N 1 1 261.756 3.002 20 30 CGEDMO CCCCCCC[C@H](CC(C)C)[NH2+][C@H]1CN[C@H](CO)C1 ZINC001246213321 804209982 /nfs/dbraw/zinc/20/99/82/804209982.db2.gz QASMBYATFWMUCY-ZACQAIPSSA-N 1 1 284.488 3.074 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](C(F)F)C2)c1 ZINC001139651662 804243718 /nfs/dbraw/zinc/24/37/18/804243718.db2.gz SLYONOUUXHCZQX-NSHDSACASA-N 1 1 268.282 3.174 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](C(F)F)C2)c1 ZINC001139651662 804243721 /nfs/dbraw/zinc/24/37/21/804243721.db2.gz SLYONOUUXHCZQX-NSHDSACASA-N 1 1 268.282 3.174 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@@H](C#N)CC2)ccc1N(C)C ZINC001139673145 804247709 /nfs/dbraw/zinc/24/77/09/804247709.db2.gz QFUIEYHMAPMHCA-OAHLLOKOSA-N 1 1 271.408 3.187 20 30 CGEDMO C[C@]1(CF)CC[N@H+](Cc2cccc(Cl)c2C#N)C1 ZINC001139686659 804254414 /nfs/dbraw/zinc/25/44/14/804254414.db2.gz ATXOUHSOYLTFKK-CQSZACIVSA-N 1 1 266.747 3.393 20 30 CGEDMO C[C@]1(CF)CC[N@@H+](Cc2cccc(Cl)c2C#N)C1 ZINC001139686659 804254418 /nfs/dbraw/zinc/25/44/18/804254418.db2.gz ATXOUHSOYLTFKK-CQSZACIVSA-N 1 1 266.747 3.393 20 30 CGEDMO CCCCCCC[C@H](CC(C)C)[NH2+][C@]1(CO)CCNC1 ZINC001246287675 804260455 /nfs/dbraw/zinc/26/04/55/804260455.db2.gz KGZIGYLUNUBFMR-IAGOWNOFSA-N 1 1 284.488 3.076 20 30 CGEDMO C=CCn1cc(C[N@@H+]2Cc3ccccc3C[C@@H]2C)cn1 ZINC001139770865 804278197 /nfs/dbraw/zinc/27/81/97/804278197.db2.gz DVYKGGIYACKTMT-AWEZNQCLSA-N 1 1 267.376 3.016 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cccc(C)c2C)no1 ZINC001212325648 815005945 /nfs/dbraw/zinc/00/59/45/815005945.db2.gz ZDYMDYOHYNWOFA-AWEZNQCLSA-N 1 1 269.348 3.157 20 30 CGEDMO N#Cc1cc(F)cc(C[N@H+]2CCC[C@H](C(F)F)C2)c1 ZINC001139875190 804305507 /nfs/dbraw/zinc/30/55/07/804305507.db2.gz KEBFLVMMKHUJPJ-LBPRGKRZSA-N 1 1 268.282 3.174 20 30 CGEDMO N#Cc1cc(F)cc(C[N@@H+]2CCC[C@H](C(F)F)C2)c1 ZINC001139875190 804305517 /nfs/dbraw/zinc/30/55/17/804305517.db2.gz KEBFLVMMKHUJPJ-LBPRGKRZSA-N 1 1 268.282 3.174 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3ccccc3C3CC3)CC[C@H]2S1 ZINC001139881715 804311423 /nfs/dbraw/zinc/31/14/23/804311423.db2.gz VZJHQXWHFYJOOA-MRXNPFEDSA-N 1 1 285.412 3.338 20 30 CGEDMO O=C1C=C2C[N@@H+](Cc3ccccc3C3CC3)CCC2S1 ZINC001139881715 804311430 /nfs/dbraw/zinc/31/14/30/804311430.db2.gz VZJHQXWHFYJOOA-MRXNPFEDSA-N 1 1 285.412 3.338 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3ccccc3C3CC3)CCC2S1 ZINC001139881715 804311440 /nfs/dbraw/zinc/31/14/40/804311440.db2.gz VZJHQXWHFYJOOA-MRXNPFEDSA-N 1 1 285.412 3.338 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)Cc1ccnc(SC)n1 ZINC001140036119 804359435 /nfs/dbraw/zinc/35/94/35/804359435.db2.gz YXKQNDGDDKVTCX-UHFFFAOYSA-N 1 1 285.416 3.387 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccnc(SC)n1 ZINC001140036119 804359441 /nfs/dbraw/zinc/35/94/41/804359441.db2.gz YXKQNDGDDKVTCX-UHFFFAOYSA-N 1 1 285.416 3.387 20 30 CGEDMO CCCCCCCC[C@@H](CCC)[N@@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246567949 804415067 /nfs/dbraw/zinc/41/50/67/804415067.db2.gz NGWZSTKBQUIPTP-BRWVUGGUSA-N 1 1 284.488 3.300 20 30 CGEDMO CCCCCCCC[C@@H](CCC)[N@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246567949 804415071 /nfs/dbraw/zinc/41/50/71/804415071.db2.gz NGWZSTKBQUIPTP-BRWVUGGUSA-N 1 1 284.488 3.300 20 30 CGEDMO C[C@@H]1CNC[C@H](C)[N@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001246585758 804429429 /nfs/dbraw/zinc/42/94/29/804429429.db2.gz INVVRQKQLBWDGZ-CCZBSFLLSA-N 1 1 297.446 3.073 20 30 CGEDMO C[C@@H]1CNC[C@H](C)[N@@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001246585758 804429432 /nfs/dbraw/zinc/42/94/32/804429432.db2.gz INVVRQKQLBWDGZ-CCZBSFLLSA-N 1 1 297.446 3.073 20 30 CGEDMO CCCCCCC[C@H](CCC)[N@H+]1CCNC[C@@H]1COC ZINC001246593468 804435501 /nfs/dbraw/zinc/43/55/01/804435501.db2.gz IATZIXKDUKRSCD-DLBZAZTESA-N 1 1 284.488 3.436 20 30 CGEDMO CCCCCCC[C@H](CCC)N1CC[NH2+]C[C@@H]1COC ZINC001246593468 804435503 /nfs/dbraw/zinc/43/55/03/804435503.db2.gz IATZIXKDUKRSCD-DLBZAZTESA-N 1 1 284.488 3.436 20 30 CGEDMO N#Cc1ccc2c(c1)CC[N@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140462278 804441847 /nfs/dbraw/zinc/44/18/47/804441847.db2.gz DGTFLCUNJGOLDI-UHFFFAOYSA-N 1 1 298.773 3.476 20 30 CGEDMO Fc1cc(Cl)cc(C[NH+]2CCC(S)CC2)c1 ZINC001140538807 804456317 /nfs/dbraw/zinc/45/63/17/804456317.db2.gz MBEZTTCLUATMFM-UHFFFAOYSA-N 1 1 259.777 3.373 20 30 CGEDMO Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc(C)c1O ZINC001140658857 804486052 /nfs/dbraw/zinc/48/60/52/804486052.db2.gz AFUQFDKHZJCHRM-MKZZRHPPSA-N 1 1 270.376 3.276 20 30 CGEDMO CCCCCCC[C@H](CCC)[N@H+]1C[C@@H]2COC[C@H](C1)N2 ZINC001246674733 804490685 /nfs/dbraw/zinc/49/06/85/804490685.db2.gz OUOOTALMKRKUOG-BBWFWOEESA-N 1 1 282.472 3.188 20 30 CGEDMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cc(F)c(C#N)c(F)c1 ZINC001140754390 804506883 /nfs/dbraw/zinc/50/68/83/804506883.db2.gz XSIBMIKOMZDKSD-WDEREUQCSA-N 1 1 264.319 3.457 20 30 CGEDMO CC1(C)C[N@H+](Cc2cccc(C#N)c2Cl)CCCO1 ZINC001140809711 804525639 /nfs/dbraw/zinc/52/56/39/804525639.db2.gz DDOYWNYXQNOBGB-UHFFFAOYSA-N 1 1 278.783 3.213 20 30 CGEDMO CC1(C)C[N@@H+](Cc2cccc(C#N)c2Cl)CCCO1 ZINC001140809711 804525644 /nfs/dbraw/zinc/52/56/44/804525644.db2.gz DDOYWNYXQNOBGB-UHFFFAOYSA-N 1 1 278.783 3.213 20 30 CGEDMO C[C@@H]1C[C@H](N)C[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001246864253 804566925 /nfs/dbraw/zinc/56/69/25/804566925.db2.gz SFWWAHFOYSHALG-SIBREGTBSA-N 1 1 297.446 3.254 20 30 CGEDMO C[C@@H]1C[C@H]([NH3+])CN(C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001246864253 804566928 /nfs/dbraw/zinc/56/69/28/804566928.db2.gz SFWWAHFOYSHALG-SIBREGTBSA-N 1 1 297.446 3.254 20 30 CGEDMO C=CC[N@H+](C)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141076071 804585615 /nfs/dbraw/zinc/58/56/15/804585615.db2.gz LQBZHFBCHOUKAS-UHFFFAOYSA-N 1 1 256.393 3.003 20 30 CGEDMO C#CC[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1OC ZINC001141084840 804587445 /nfs/dbraw/zinc/58/74/45/804587445.db2.gz RAXVIACAOHFPTC-UHFFFAOYSA-N 1 1 295.382 3.339 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(OCc2ccccc2)cc1OC ZINC001141084840 804587447 /nfs/dbraw/zinc/58/74/47/804587447.db2.gz RAXVIACAOHFPTC-UHFFFAOYSA-N 1 1 295.382 3.339 20 30 CGEDMO C[N@H+](Cc1sc(N)c(C#N)c1Cl)C[C@@H]1CC1(C)C ZINC001141114407 804591735 /nfs/dbraw/zinc/59/17/35/804591735.db2.gz NPQNARNTFMJKJS-QMMMGPOBSA-N 1 1 283.828 3.333 20 30 CGEDMO C[C@H]1CCCC[N@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141109458 804592266 /nfs/dbraw/zinc/59/22/66/804592266.db2.gz RMWPYRKWTJUXEN-QMMMGPOBSA-N 1 1 269.801 3.230 20 30 CGEDMO CCCCCCCC[C@H](CC)[N@@H+]1C[C@@H]2CN[C@@H]2C1 ZINC001246921330 804601947 /nfs/dbraw/zinc/60/19/47/804601947.db2.gz RYQWXPWEKQKMOZ-HRCADAONSA-N 1 1 252.446 3.419 20 30 CGEDMO CCCCCCCC[C@H](CC)[N@H+]1C[C@@H]2CN[C@@H]2C1 ZINC001246921330 804601951 /nfs/dbraw/zinc/60/19/51/804601951.db2.gz RYQWXPWEKQKMOZ-HRCADAONSA-N 1 1 252.446 3.419 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc3cccnc3cc2F)C1 ZINC001141631206 804658747 /nfs/dbraw/zinc/65/87/47/804658747.db2.gz LMMVEEFRKZGRNV-CYBMUJFWSA-N 1 1 268.335 3.219 20 30 CGEDMO CSc1nc(C[N@H+]2CCC[C@H](C)[C@H]2C)ccc1C#N ZINC001141939798 804680655 /nfs/dbraw/zinc/68/06/55/804680655.db2.gz UKXPFFMGVJZCFK-NWDGAFQWSA-N 1 1 275.421 3.296 20 30 CGEDMO CC[C@H]1CCC[N@H+]1Cc1ccc(C#N)c(SC)n1 ZINC001141939207 804680663 /nfs/dbraw/zinc/68/06/63/804680663.db2.gz MRGDDSJMVLVINV-ZDUSSCGKSA-N 1 1 261.394 3.050 20 30 CGEDMO CC[N@@H+](CCC#N)[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256815511 806984736 /nfs/dbraw/zinc/98/47/36/806984736.db2.gz BCGJCGDZSMJKRT-HZPDHXFCSA-N 1 1 258.365 3.142 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2cc(Cl)cnc2C)no1 ZINC001247622749 804782791 /nfs/dbraw/zinc/78/27/91/804782791.db2.gz RNQYITOEELECMP-NSHDSACASA-N 1 1 278.743 3.059 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2cc(F)cc(C)c2F)no1 ZINC001247622331 804783045 /nfs/dbraw/zinc/78/30/45/804783045.db2.gz JEZJSJIXEHYHRA-NSHDSACASA-N 1 1 279.290 3.289 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2ccccc2OC(C)C)no1 ZINC001247622076 804783075 /nfs/dbraw/zinc/78/30/75/804783075.db2.gz FHLTUBOTWHAJGN-CYBMUJFWSA-N 1 1 287.363 3.490 20 30 CGEDMO N#Cc1ccc2c(C[N@H+]3CC[C@@]4(C3)CCCCO4)c[nH]c2c1 ZINC001142916290 804783661 /nfs/dbraw/zinc/78/36/61/804783661.db2.gz RKWSQKDFLQCPQF-GOSISDBHSA-N 1 1 295.386 3.185 20 30 CGEDMO N#Cc1ccc2c(C[N@H+]3CCC4(CC4)C3)c[nH]c2c1 ZINC001142916235 804783718 /nfs/dbraw/zinc/78/37/18/804783718.db2.gz QFWLWMRVIUTSCA-UHFFFAOYSA-N 1 1 251.333 3.025 20 30 CGEDMO CO[C@@H]1CCC[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)CC1 ZINC001142922660 804784678 /nfs/dbraw/zinc/78/46/78/804784678.db2.gz PTDYAYNPSZGGAE-OAHLLOKOSA-N 1 1 283.375 3.040 20 30 CGEDMO N#Cc1cccc(Cl)c1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001143716072 804888276 /nfs/dbraw/zinc/88/82/76/804888276.db2.gz CQDOFEDHKRLLRJ-CJNGLKHVSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1cccc(Cl)c1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001143716072 804888279 /nfs/dbraw/zinc/88/82/79/804888279.db2.gz CQDOFEDHKRLLRJ-CJNGLKHVSA-N 1 1 290.794 3.213 20 30 CGEDMO C=CC[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1F ZINC001143791448 804895896 /nfs/dbraw/zinc/89/58/96/804895896.db2.gz PKCSDUVGPZLFBK-UHFFFAOYSA-N 1 1 263.234 3.342 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(OC(F)(F)F)cc1F ZINC001143791448 804895902 /nfs/dbraw/zinc/89/59/02/804895902.db2.gz PKCSDUVGPZLFBK-UHFFFAOYSA-N 1 1 263.234 3.342 20 30 CGEDMO CCOc1ccc(F)c(C[NH+]2CCC(S)CC2)c1F ZINC001143942524 804912410 /nfs/dbraw/zinc/91/24/10/804912410.db2.gz LORSFJHQBUTWQM-UHFFFAOYSA-N 1 1 287.375 3.258 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[N@@H+]2CCc3ccccc3[C@@H]2C1 ZINC001144069374 804932952 /nfs/dbraw/zinc/93/29/52/804932952.db2.gz UUDPLWANYKEKQJ-KRWDZBQOSA-N 1 1 298.430 3.030 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[N@H+]2CCc3ccccc3[C@@H]2C1 ZINC001144069374 804932957 /nfs/dbraw/zinc/93/29/57/804932957.db2.gz UUDPLWANYKEKQJ-KRWDZBQOSA-N 1 1 298.430 3.030 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](Cc2ccc(-n3cccc3)cc2)C1 ZINC001144251517 804961918 /nfs/dbraw/zinc/96/19/18/804961918.db2.gz GUPYQTLHWVAXHV-KRWDZBQOSA-N 1 1 265.360 3.213 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(-n3cccc3)cc2)C1 ZINC001144251517 804961923 /nfs/dbraw/zinc/96/19/23/804961923.db2.gz GUPYQTLHWVAXHV-KRWDZBQOSA-N 1 1 265.360 3.213 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1ccc2onc(C)c2c1 ZINC001248703205 804969725 /nfs/dbraw/zinc/96/97/25/804969725.db2.gz YWKISDPNBGQPPZ-UHFFFAOYSA-N 1 1 257.337 3.262 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1ccc2onc(C)c2c1 ZINC001248703205 804969727 /nfs/dbraw/zinc/96/97/27/804969727.db2.gz YWKISDPNBGQPPZ-UHFFFAOYSA-N 1 1 257.337 3.262 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@@H+]1CC[C@](C)(F)[C@@H](F)C1 ZINC001248748262 804983127 /nfs/dbraw/zinc/98/31/27/804983127.db2.gz CYDKQPHIUQQZST-HOTGVXAUSA-N 1 1 278.346 3.393 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CC[C@](C)(F)[C@@H](F)C1 ZINC001248748262 804983130 /nfs/dbraw/zinc/98/31/30/804983130.db2.gz CYDKQPHIUQQZST-HOTGVXAUSA-N 1 1 278.346 3.393 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@@H+]1CCn2cccc2[C@@H]1C ZINC001248752046 804984036 /nfs/dbraw/zinc/98/40/36/804984036.db2.gz UYOMKLOPMAGWPD-AWEZNQCLSA-N 1 1 279.387 3.499 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCn2cccc2[C@@H]1C ZINC001248752046 804984040 /nfs/dbraw/zinc/98/40/40/804984040.db2.gz UYOMKLOPMAGWPD-AWEZNQCLSA-N 1 1 279.387 3.499 20 30 CGEDMO C=CC[N@H+](Cc1cnc(OC)c(F)c1)C(C)(C)C ZINC001144472667 804992268 /nfs/dbraw/zinc/99/22/68/804992268.db2.gz FHNHTXXQBWAFIJ-UHFFFAOYSA-N 1 1 252.333 3.016 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)cc1 ZINC001144573483 805008255 /nfs/dbraw/zinc/00/82/55/805008255.db2.gz LRCZVIUHDDMHDN-IBGZPJMESA-N 1 1 277.367 3.321 20 30 CGEDMO C[C@@H]1CC([N@@H+](CCC#N)Cc2ccccc2)C[C@@H](C)O1 ZINC001257086689 807047966 /nfs/dbraw/zinc/04/79/66/807047966.db2.gz JPNRHABXKZTBQD-HUUCEWRRSA-N 1 1 272.392 3.358 20 30 CGEDMO C[C@H]1CC[C@H]([N@@H+](C)Cc2cnn3ccc(C#N)cc23)CC1 ZINC001249124718 805093897 /nfs/dbraw/zinc/09/38/97/805093897.db2.gz HEMUGUXJLBMQOP-SAZUREKKSA-N 1 1 282.391 3.216 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)/C(C)=C\CC)C2)C1 ZINC001147106289 805109844 /nfs/dbraw/zinc/10/98/44/805109844.db2.gz OFWQUMOCTVFNBF-MVMZHWFQSA-N 1 1 290.451 3.232 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001249259385 805121279 /nfs/dbraw/zinc/12/12/79/805121279.db2.gz VSZNGCAGXAYUFT-SFHVURJKSA-N 1 1 298.386 3.312 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](Cc2ccc3c(c2O)C=CC(C)(C)O3)C1 ZINC001249259385 805121284 /nfs/dbraw/zinc/12/12/84/805121284.db2.gz VSZNGCAGXAYUFT-SFHVURJKSA-N 1 1 298.386 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)C[C@@H](C)CC)C2)C1 ZINC001147435434 805128902 /nfs/dbraw/zinc/12/89/02/805128902.db2.gz QSOCZQCHNMBODK-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO N#Cc1ccc2cc(C[N@@H+]3CCC[C@H](F)CC3)[nH]c2c1 ZINC001249426457 805147203 /nfs/dbraw/zinc/14/72/03/805147203.db2.gz RNMSHIZAAXRCNZ-AWEZNQCLSA-N 1 1 271.339 3.364 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CC[N@@H+](CC=C(C)C)C2 ZINC001148129670 805164076 /nfs/dbraw/zinc/16/40/76/805164076.db2.gz HJKJNIJPHNPSEN-MRXNPFEDSA-N 1 1 290.451 3.089 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2cc(F)cc3cc[nH]c32)C1 ZINC001249525076 805164364 /nfs/dbraw/zinc/16/43/64/805164364.db2.gz XUBRHTDHHQTITM-GFCCVEGCSA-N 1 1 271.339 3.433 20 30 CGEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H](CC)CC(C)C)C2)C1 ZINC001148568292 805195738 /nfs/dbraw/zinc/19/57/38/805195738.db2.gz QDQHXZMVTHXQLB-INIZCTEOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H](CC)CC(C)C)C2)C1 ZINC001148563492 805195850 /nfs/dbraw/zinc/19/58/50/805195850.db2.gz VZRCDHWRWKUXMF-INIZCTEOSA-N 1 1 292.467 3.169 20 30 CGEDMO CCN1CCc2ccc(C[N@H+]3CCC[C@H](CC#N)C3)cc21 ZINC001249664164 805206531 /nfs/dbraw/zinc/20/65/31/805206531.db2.gz AENMBWYWGBOWDP-OAHLLOKOSA-N 1 1 283.419 3.195 20 30 CGEDMO Cc1cc(Nc2ccc(N3CCCC3)c(C#N)c2)c[nH+]c1N ZINC001249791357 805249998 /nfs/dbraw/zinc/24/99/98/805249998.db2.gz YPXCYSYCTMJUOI-UHFFFAOYSA-N 1 1 293.374 3.188 20 30 CGEDMO C=CCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccc(C)cc1 ZINC001152346033 805345662 /nfs/dbraw/zinc/34/56/62/805345662.db2.gz AJAOHOZDRCFFCG-MRXNPFEDSA-N 1 1 288.435 3.288 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)CCCC(C)(C)C ZINC001152379534 805348435 /nfs/dbraw/zinc/34/84/35/805348435.db2.gz SVVZKEGYWSVRTF-OAHLLOKOSA-N 1 1 280.456 3.053 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)c1cscc1C ZINC001152612275 805357548 /nfs/dbraw/zinc/35/75/48/805357548.db2.gz YUINSUMCTYUGLG-CQSZACIVSA-N 1 1 294.464 3.463 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1cscc1C ZINC001152612088 805358068 /nfs/dbraw/zinc/35/80/68/805358068.db2.gz UKLLACSABOWELM-CYBMUJFWSA-N 1 1 280.437 3.073 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)C(C)C ZINC001153570934 805402912 /nfs/dbraw/zinc/40/29/12/805402912.db2.gz QIDDHBMWIGWLBQ-CYBMUJFWSA-N 1 1 288.863 3.248 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)C(C)C ZINC001153570934 805402914 /nfs/dbraw/zinc/40/29/14/805402914.db2.gz QIDDHBMWIGWLBQ-CYBMUJFWSA-N 1 1 288.863 3.248 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)C(C)C ZINC001153570647 805403072 /nfs/dbraw/zinc/40/30/72/805403072.db2.gz LMOOFJIFEDIPPB-CQSZACIVSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H](C)[N@H+](CC)CC(=C)Cl ZINC001153594954 805405597 /nfs/dbraw/zinc/40/55/97/805405597.db2.gz SUIBJMLIYQJOLU-CYBMUJFWSA-N 1 1 286.847 3.168 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H](C)[N@@H+](CC)CC(=C)Cl ZINC001153594954 805405600 /nfs/dbraw/zinc/40/56/00/805405600.db2.gz SUIBJMLIYQJOLU-CYBMUJFWSA-N 1 1 286.847 3.168 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)C/C=C\Cl ZINC001154589204 805465112 /nfs/dbraw/zinc/46/51/12/805465112.db2.gz VDNYFWDMQDHNEM-LJTDUEICSA-N 1 1 286.847 3.168 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)CCC1CC1 ZINC001154743103 805481083 /nfs/dbraw/zinc/48/10/83/805481083.db2.gz TZRVQRJKOMMJLH-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)CC1CCC1 ZINC001154751011 805482371 /nfs/dbraw/zinc/48/23/71/805482371.db2.gz IULNLTHDOUYWLN-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO Cc1cccc2[nH+]cc(Nc3ccccc3OCC#N)n21 ZINC001212599198 815081798 /nfs/dbraw/zinc/08/17/98/815081798.db2.gz IENZZOVXVVPXFN-UHFFFAOYSA-N 1 1 278.315 3.289 20 30 CGEDMO C=CCCC1(C(=O)NC[C@@H](C)[N@@H+](CC)C/C=C\Cl)CC1 ZINC001155037487 805527069 /nfs/dbraw/zinc/52/70/69/805527069.db2.gz SBTTYPUPZNQCFK-SMJHDNPOSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCCC1(C(=O)NC[C@@H](C)[N@H+](CC)CC(=C)Cl)CC1 ZINC001155037613 805527798 /nfs/dbraw/zinc/52/77/98/805527798.db2.gz XJUZSUSJXFVMER-CQSZACIVSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCCC1(C(=O)NC[C@@H](C)[N@@H+](CC)CC(=C)Cl)CC1 ZINC001155037613 805527803 /nfs/dbraw/zinc/52/78/03/805527803.db2.gz XJUZSUSJXFVMER-CQSZACIVSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)C1(CF)CC1 ZINC001155189417 805554037 /nfs/dbraw/zinc/55/40/37/805554037.db2.gz MDPIVYQSCMFSCB-OAHLLOKOSA-N 1 1 298.446 3.309 20 30 CGEDMO N#Cc1ccc(C2CCC([N@H+]3CCC[C@H](O)C3)CC2)cc1 ZINC001257016122 807027721 /nfs/dbraw/zinc/02/77/21/807027721.db2.gz VYPUKBVGYKFJKA-ABHNRTSZSA-N 1 1 284.403 3.041 20 30 CGEDMO CCOC(=O)c1ccc(C[C@@H](C)[N@H+](CC)CCC#N)cc1 ZINC001257161328 807058029 /nfs/dbraw/zinc/05/80/29/807058029.db2.gz BYPTYOUVFSLOSK-CQSZACIVSA-N 1 1 288.391 3.030 20 30 CGEDMO CCOC(=O)c1ccc(C[C@@H](C)[N@@H+](CC)CCC#N)cc1 ZINC001257161328 807058037 /nfs/dbraw/zinc/05/80/37/807058037.db2.gz BYPTYOUVFSLOSK-CQSZACIVSA-N 1 1 288.391 3.030 20 30 CGEDMO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1[C@@H](CC)CCC ZINC001257263606 807077180 /nfs/dbraw/zinc/07/71/80/807077180.db2.gz UOYQCZOFNLHGSZ-HOCLYGCPSA-N 1 1 291.439 3.101 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@@H+](C1CCCC1)[C@H]2CC ZINC001257351181 807119371 /nfs/dbraw/zinc/11/93/71/807119371.db2.gz WTKSIBBRISEPBL-WMZOPIPTSA-N 1 1 290.451 3.351 20 30 CGEDMO C#C[C@H]1CCCN(c2[nH+]ccc3ccc(OC)cc32)C1 ZINC001167007154 807127381 /nfs/dbraw/zinc/12/73/81/807127381.db2.gz YMXMACOBYDPFBC-ZDUSSCGKSA-N 1 1 266.344 3.093 20 30 CGEDMO Cc1ccc(CC#N)c(N2CC(c3ccccc3)C2)[nH+]1 ZINC001167065693 807142077 /nfs/dbraw/zinc/14/20/77/807142077.db2.gz VXPKJECPWZKGJV-UHFFFAOYSA-N 1 1 263.344 3.060 20 30 CGEDMO Cc1ccc(CC#N)c(N2CC3(C2)CCCCC3)[nH+]1 ZINC001167179943 807163683 /nfs/dbraw/zinc/16/36/83/807163683.db2.gz MFVIQDTXBLLOMC-UHFFFAOYSA-N 1 1 255.365 3.227 20 30 CGEDMO CCCCCCCCCC[C@H](C)[N@H+]1CCO[C@H](C(N)=O)C1 ZINC001257550156 807196355 /nfs/dbraw/zinc/19/63/55/807196355.db2.gz JUKYIRHZOYSFTM-HOTGVXAUSA-N 1 1 298.471 3.092 20 30 CGEDMO C=C1C[C@@H]2CC([NH2+][C@H]3C[C@H]4CCN(C3)[C@@H]4C)C[C@H](C1)C2 ZINC001257887727 807238994 /nfs/dbraw/zinc/23/89/94/807238994.db2.gz HFRUZAYYMPPZDW-AOXRCQJJSA-N 1 1 274.452 3.194 20 30 CGEDMO C=C1C[C@@H]2CC([NH2+]Cc3ncccc3O)C[C@H](C1)C2 ZINC001257887759 807239023 /nfs/dbraw/zinc/23/90/23/807239023.db2.gz IOJAHJGYSPGGET-PBWFPOADSA-N 1 1 258.365 3.012 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCC[C@@H](C(=O)OC)C3)C[C@H](C1)C2 ZINC001257889862 807240017 /nfs/dbraw/zinc/24/00/17/807240017.db2.gz LRLUTVNCBJFIKW-IUOOZAAYSA-N 1 1 277.408 3.006 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+](C)[C@@H]3CCC4(C3)OCCO4)C[C@H](C1)C2 ZINC001257894504 807243661 /nfs/dbraw/zinc/24/36/61/807243661.db2.gz YAOWOCRCFPYZLB-LVYZTWJOSA-N 1 1 291.435 3.349 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3C[C@@H](C(=O)OC)C4(CC4)C3)C[C@H](C1)C2 ZINC001257893988 807244378 /nfs/dbraw/zinc/24/43/78/807244378.db2.gz HOJZGJVDTUXEGU-QXULXFAOSA-N 1 1 289.419 3.006 20 30 CGEDMO C=CCOCC[N@H+](C)[C@H]1C[C@@H](OCC)C1(CC)CC ZINC001167820868 807254719 /nfs/dbraw/zinc/25/47/19/807254719.db2.gz YDDIRMHTAYNVCS-LSDHHAIUSA-N 1 1 269.429 3.105 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1CC[C@@](F)(C(=O)OC)C1 ZINC001258044279 807274038 /nfs/dbraw/zinc/27/40/38/807274038.db2.gz KVGNEXICAZPBHV-HIFRSBDPSA-N 1 1 273.392 3.322 20 30 CGEDMO CCCCCCC[C@H](C)[N@@H+]1C[C@H](CO)C[C@H](F)C1 ZINC001258043601 807274350 /nfs/dbraw/zinc/27/43/50/807274350.db2.gz DYZDINFVZBJOQG-ZNMIVQPWSA-N 1 1 259.409 3.388 20 30 CGEDMO C[C@@H]1CC([NH2+]C2CC(C#N)C2)C[C@@H](C)N1Cc1ccccc1 ZINC001168033499 807300031 /nfs/dbraw/zinc/30/00/31/807300031.db2.gz LNLWQKYRZQYKAL-SSSCAMEASA-N 1 1 297.446 3.320 20 30 CGEDMO C[C@@H]1CC(NC2CC(C#N)C2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168033499 807300040 /nfs/dbraw/zinc/30/00/40/807300040.db2.gz LNLWQKYRZQYKAL-SSSCAMEASA-N 1 1 297.446 3.320 20 30 CGEDMO CCCCCCCC[N@@H+](CCN)[C@@H]1CCO[C@H](C)C1 ZINC001168087477 807307868 /nfs/dbraw/zinc/30/78/68/807307868.db2.gz LWKOREOLXYTOFK-HZPDHXFCSA-N 1 1 270.461 3.175 20 30 CGEDMO CCCCCCCCN(CC[NH3+])[C@@H]1CCO[C@H](C)C1 ZINC001168087477 807307877 /nfs/dbraw/zinc/30/78/77/807307877.db2.gz LWKOREOLXYTOFK-HZPDHXFCSA-N 1 1 270.461 3.175 20 30 CGEDMO C=CCOC(=O)N[C@@H]1CCC[N@H+](C2C[C@H](C)C[C@@H](C)C2)C1 ZINC001258170266 807337377 /nfs/dbraw/zinc/33/73/77/807337377.db2.gz BRMIDLCIGMGAFO-RBSFLKMASA-N 1 1 294.439 3.188 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1c1ccc(NCC2CC(=O)C2)cc1 ZINC001168395644 807402731 /nfs/dbraw/zinc/40/27/31/807402731.db2.gz FZEDUCBTZSZFTJ-GOSISDBHSA-N 1 1 284.403 3.401 20 30 CGEDMO C=C[C@@H]1C[C@@]1([NH2+][C@H](CC)CCCCC)C(=O)OCC ZINC001258438106 807450465 /nfs/dbraw/zinc/45/04/65/807450465.db2.gz LXBCZUIWAYEGPI-FMKPAKJESA-N 1 1 267.413 3.443 20 30 CGEDMO C=CCC[C@H](C)[NH2+][C@H](CC1CCC1)C(=O)OCC ZINC001258723326 807571307 /nfs/dbraw/zinc/57/13/07/807571307.db2.gz YVHFTQCBTCXTHB-GXTWGEPZSA-N 1 1 253.386 3.053 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CN2C(=O)OC(C)(C)C)C1 ZINC001258724714 807573477 /nfs/dbraw/zinc/57/34/77/807573477.db2.gz DAFKBNBQPAPYAT-RRFJBIMHSA-N 1 1 294.439 3.282 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC001258725574 807573887 /nfs/dbraw/zinc/57/38/87/807573887.db2.gz ADMITRLAYBTQEM-KKUMJFAQSA-N 1 1 294.439 3.282 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001258727815 807574426 /nfs/dbraw/zinc/57/44/26/807574426.db2.gz JEIXHJITXDFFOV-MELADBBJSA-N 1 1 280.412 3.035 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CCC[C@]2(CCC(=O)N2C)[C@@H]1CC ZINC001258728100 807574466 /nfs/dbraw/zinc/57/44/66/807574466.db2.gz LFNQVJXQSYTJST-ZOBUZTSGSA-N 1 1 278.440 3.207 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001258726640 807574494 /nfs/dbraw/zinc/57/44/94/807574494.db2.gz VNWNFWBQOIZJKN-SOUVJXGZSA-N 1 1 294.439 3.282 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@]2(C1)COCCN(C(C)C)C2 ZINC001258727531 807574660 /nfs/dbraw/zinc/57/46/60/807574660.db2.gz IDIPIKXAEVMQBC-MSOLQXFVSA-N 1 1 294.483 3.164 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1Cc2c(cnn2CC)[C@@H](COCC)C1 ZINC001258729465 807576466 /nfs/dbraw/zinc/57/64/66/807576466.db2.gz VINBRGRAEZJUJY-LSDHHAIUSA-N 1 1 291.439 3.193 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCN2CCc3ccccc3[C@H]2C1 ZINC001258733031 807579078 /nfs/dbraw/zinc/57/90/78/807579078.db2.gz UJTXBFZMHHHYBS-CRAIPNDOSA-N 1 1 270.420 3.256 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001258732686 807579112 /nfs/dbraw/zinc/57/91/12/807579112.db2.gz BHXSFTPPHZDNRQ-KBXIAJHMSA-N 1 1 294.439 3.138 20 30 CGEDMO C=CCC[C@H](C)[N@H+](CC(=O)OCC)C1CCCC1 ZINC001258732962 807579347 /nfs/dbraw/zinc/57/93/47/807579347.db2.gz FNAJMLJZIUECPM-ZDUSSCGKSA-N 1 1 253.386 3.149 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC001258732703 807579547 /nfs/dbraw/zinc/57/95/47/807579547.db2.gz PGJMTZNLMMPUMA-NVXWUHKLSA-N 1 1 275.392 3.121 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](Oc2ccc(C)cn2)C1 ZINC001258734087 807580727 /nfs/dbraw/zinc/58/07/27/807580727.db2.gz RGONOEVIGXIXRV-LSDHHAIUSA-N 1 1 260.381 3.198 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1cc(Br)ccc1F ZINC001169232870 807611423 /nfs/dbraw/zinc/61/14/23/807611423.db2.gz KGGISOWWZSOCGU-UHFFFAOYSA-N 1 1 284.172 3.432 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1cc(Br)ccc1F ZINC001169232870 807611426 /nfs/dbraw/zinc/61/14/26/807611426.db2.gz KGGISOWWZSOCGU-UHFFFAOYSA-N 1 1 284.172 3.432 20 30 CGEDMO CC[C@H](C[C@@H](C)CC)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001258792965 807615257 /nfs/dbraw/zinc/61/52/57/807615257.db2.gz ZLOOCKKYCLKAPY-YUTCNCBUSA-N 1 1 267.438 3.475 20 30 CGEDMO COc1ccc(Nc2cc(C)cc(C)[nH+]2)c(C#N)c1 ZINC001212778968 815133968 /nfs/dbraw/zinc/13/39/68/815133968.db2.gz MDCISVQFGHBMPR-UHFFFAOYSA-N 1 1 253.305 3.322 20 30 CGEDMO C=CCCCC[N@@H+](C)[C@H](Cc1ccccc1)C(=O)OCC ZINC001169582094 807670602 /nfs/dbraw/zinc/67/06/02/807670602.db2.gz PIIXLUMKETYWIO-QGZVFWFLSA-N 1 1 289.419 3.449 20 30 CGEDMO C=CCCCC[N@H+](C)[C@H](Cc1ccccc1)C(=O)OCC ZINC001169582094 807670604 /nfs/dbraw/zinc/67/06/04/807670604.db2.gz PIIXLUMKETYWIO-QGZVFWFLSA-N 1 1 289.419 3.449 20 30 CGEDMO N#CC12CCC(Nc3nc(NCC4CC4)cc[nH+]3)(CC1)CC2 ZINC001169744180 807702535 /nfs/dbraw/zinc/70/25/35/807702535.db2.gz PWJHJXYYOATONR-UHFFFAOYSA-N 1 1 297.406 3.327 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1C[C@@H]1COC2(CCCCC2)O1 ZINC001169862315 807717434 /nfs/dbraw/zinc/71/74/34/807717434.db2.gz DNLICXHBNFLPQJ-HUUCEWRRSA-N 1 1 265.397 3.103 20 30 CGEDMO CC[C@@H]1C[C@@H]([N@@H+](CCC#N)Cc2ccccc2)CCO1 ZINC001170204028 807795253 /nfs/dbraw/zinc/79/52/53/807795253.db2.gz ODNZAYKVFGUMRS-DLBZAZTESA-N 1 1 272.392 3.360 20 30 CGEDMO N#C[C@@H]1CC[N@H+]([C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171136872 807995699 /nfs/dbraw/zinc/99/56/99/807995699.db2.gz XFOONJQOQMAFKD-XHDPSFHLSA-N 1 1 260.768 3.043 20 30 CGEDMO CC(C)[NH+](CCN[C@@H](C)Cc1cccc(C#N)c1)C(C)C ZINC001171177869 808000582 /nfs/dbraw/zinc/00/05/82/808000582.db2.gz BMWQHPHOPZIHNR-INIZCTEOSA-N 1 1 287.451 3.198 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@H](N2CCCCC2)C1 ZINC001171221342 808010912 /nfs/dbraw/zinc/01/09/12/808010912.db2.gz KTTJOROBMTWZMA-LPHOPBHVSA-N 1 1 297.446 3.049 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@H](N2CCCCC2)C1 ZINC001171221342 808010918 /nfs/dbraw/zinc/01/09/18/808010918.db2.gz KTTJOROBMTWZMA-LPHOPBHVSA-N 1 1 297.446 3.049 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC001171220493 808011352 /nfs/dbraw/zinc/01/13/52/808011352.db2.gz AOOHPKYFFPQVLM-GJZGRUSLSA-N 1 1 267.376 3.115 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001171221426 808011596 /nfs/dbraw/zinc/01/15/96/808011596.db2.gz NCJMBRWOXAIRHE-OAHLLOKOSA-N 1 1 289.382 3.493 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CC(Oc2ccccc2)C1 ZINC001171221445 808011622 /nfs/dbraw/zinc/01/16/22/808011622.db2.gz NJQMMOWDSDLIBB-HNNXBMFYSA-N 1 1 292.382 3.252 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)C2CCCCC2)[C@H]1C ZINC001264164667 808043106 /nfs/dbraw/zinc/04/31/06/808043106.db2.gz LPXGCPIKRQQPJI-UXLLHSPISA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC(C)(C)C(=O)N(C)C[C@H]1CC[N@@H+]1CC(CC)CC ZINC001264368496 808061679 /nfs/dbraw/zinc/06/16/79/808061679.db2.gz GLDORDQDFCRNKW-OAHLLOKOSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@](C)(CC)CCC ZINC001264374592 808063195 /nfs/dbraw/zinc/06/31/95/808063195.db2.gz KDSIVUOBIMKIDV-RDJZCZTQSA-N 1 1 280.456 3.312 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171490666 808073667 /nfs/dbraw/zinc/07/36/67/808073667.db2.gz ZCKMITJXMYZIHK-CQSZACIVSA-N 1 1 278.346 3.448 20 30 CGEDMO CC[N@@H+](CCC#N)[C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171490745 808076379 /nfs/dbraw/zinc/07/63/79/808076379.db2.gz ZXNVXTMAIJHFML-CYBMUJFWSA-N 1 1 264.319 3.058 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@H+](C[C@H](C)CC)[C@@H]1CC ZINC001264617661 808081673 /nfs/dbraw/zinc/08/16/73/808081673.db2.gz XHQBTALAUJAQTM-OWCLPIDISA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2(CCC)CCC2)[C@H]1C ZINC001264715299 808088242 /nfs/dbraw/zinc/08/82/42/808088242.db2.gz TVMILVOVCYPRDP-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@@H]1CCc2c(C)cccc2C1 ZINC001171569979 808098534 /nfs/dbraw/zinc/09/85/34/808098534.db2.gz DOZXMGOQOMMCAO-MRXNPFEDSA-N 1 1 256.393 3.478 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001265210000 808119334 /nfs/dbraw/zinc/11/93/34/808119334.db2.gz GWUDDJPLTFSOHD-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](CC)CCCCC)C1 ZINC001265233258 808121928 /nfs/dbraw/zinc/12/19/28/808121928.db2.gz PSPQPDRODJWTQS-IRXDYDNUSA-N 1 1 292.467 3.197 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC)CCCCC)C1 ZINC001265233258 808121934 /nfs/dbraw/zinc/12/19/34/808121934.db2.gz PSPQPDRODJWTQS-IRXDYDNUSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)C(C)=C2CCC2)C1 ZINC001265281257 808125757 /nfs/dbraw/zinc/12/57/57/808125757.db2.gz JRVVZGIYZPUVBX-CJNGLKHVSA-N 1 1 276.424 3.032 20 30 CGEDMO C[C@H]1C[C@@H](NC2(C#N)CCCC2)C[N@H+]1Cc1ccccc1 ZINC001171730845 808126551 /nfs/dbraw/zinc/12/65/51/808126551.db2.gz ZOXZGEJBZUPXPS-DOTOQJQBSA-N 1 1 283.419 3.075 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001265297704 808126634 /nfs/dbraw/zinc/12/66/34/808126634.db2.gz WJJBDWZPNXIDEY-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C[C@H]1C[C@H](NC2(C#N)CCCCC2)C[N@H+]1Cc1ccccc1 ZINC001171727517 808126667 /nfs/dbraw/zinc/12/66/67/808126667.db2.gz DBJQMZHPIQJXPV-WMZOPIPTSA-N 1 1 297.446 3.465 20 30 CGEDMO CCC(C#N)(CC)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171739355 808128399 /nfs/dbraw/zinc/12/83/99/808128399.db2.gz CBMMRMSPXSBDSB-NVXWUHKLSA-N 1 1 285.435 3.321 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](CCC)C(C)C)C1 ZINC001265396429 808140193 /nfs/dbraw/zinc/14/01/93/808140193.db2.gz DBWKYXYRSLQSRO-IAGOWNOFSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](C)C2CCCC2)C1 ZINC001265396282 808140216 /nfs/dbraw/zinc/14/02/16/808140216.db2.gz AGLPGFZWZWEJHC-HZPDHXFCSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](C[C@H](O)c2ccc(F)cc2C)C1 ZINC001171840045 808148139 /nfs/dbraw/zinc/14/81/39/808148139.db2.gz ABKRSLVZZWCHAF-YOEHRIQHSA-N 1 1 277.383 3.456 20 30 CGEDMO C=CCC(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=C)C ZINC001265519375 808150353 /nfs/dbraw/zinc/15/03/53/808150353.db2.gz MMSQIPIELWQVEC-MQVJKMGUSA-N 1 1 290.451 3.276 20 30 CGEDMO C#CCCCCCC[N@@H+]1Cc2ccccc2NC(=O)[C@H]1C ZINC001171893477 808152914 /nfs/dbraw/zinc/15/29/14/808152914.db2.gz OUWVESGZKGGLNX-OAHLLOKOSA-N 1 1 284.403 3.413 20 30 CGEDMO C#CCCCCCC[N@H+]1Cc2ccccc2NC(=O)[C@H]1C ZINC001171893477 808152919 /nfs/dbraw/zinc/15/29/19/808152919.db2.gz OUWVESGZKGGLNX-OAHLLOKOSA-N 1 1 284.403 3.413 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)CC(C)(C)C2CC2)C1 ZINC001265582971 808156461 /nfs/dbraw/zinc/15/64/61/808156461.db2.gz XVRNFEZCMJJZJW-HNNXBMFYSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)C2=CCCC2)C1 ZINC001265579455 808157492 /nfs/dbraw/zinc/15/74/92/808157492.db2.gz FQRUFDRQRFAUGF-CVEARBPZSA-N 1 1 290.451 3.280 20 30 CGEDMO CC(C)(C#N)N[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171961768 808160125 /nfs/dbraw/zinc/16/01/25/808160125.db2.gz AOOYYXZSKDYOGT-MRXNPFEDSA-N 1 1 285.435 3.321 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(F)=C1CCCC1 ZINC001265643993 808163358 /nfs/dbraw/zinc/16/33/58/808163358.db2.gz YPNNRZYKSNLEKB-HNNXBMFYSA-N 1 1 294.414 3.331 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)C1(F)CCCC1 ZINC001265647534 808164623 /nfs/dbraw/zinc/16/46/23/808164623.db2.gz PSMWBHCTPNCQOT-HNNXBMFYSA-N 1 1 296.430 3.206 20 30 CGEDMO C#CC1(N[C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172063558 808169910 /nfs/dbraw/zinc/16/99/10/808169910.db2.gz AOHFAIDIYSCSOS-REPLKXPHSA-N 1 1 294.442 3.328 20 30 CGEDMO C#CC1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001172063558 808169914 /nfs/dbraw/zinc/16/99/14/808169914.db2.gz AOHFAIDIYSCSOS-REPLKXPHSA-N 1 1 294.442 3.328 20 30 CGEDMO C=CCCC(=O)N[C@H](C)[C@@H]1CCC[N@H+](CCC(C)C)C1 ZINC001265699927 808170892 /nfs/dbraw/zinc/17/08/92/808170892.db2.gz KGYKIPUFVJASIG-HZPDHXFCSA-N 1 1 280.456 3.215 20 30 CGEDMO CCCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C#CC(C)(C)C)C1 ZINC001265702894 808171063 /nfs/dbraw/zinc/17/10/63/808171063.db2.gz JDIFNOCEYGZLRW-JKSUJKDBSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCCC[N@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172128087 808184933 /nfs/dbraw/zinc/18/49/33/808184933.db2.gz OKMFVEOPZSSJPD-MUJYYYPQSA-N 1 1 250.430 3.290 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172245189 808209406 /nfs/dbraw/zinc/20/94/06/808209406.db2.gz YXIGHKRPLYZEHO-ALOPSCKCSA-N 1 1 255.361 3.161 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)[C@H]1CCCN(C(=O)CCCC)C1 ZINC001266090498 808209371 /nfs/dbraw/zinc/20/93/71/808209371.db2.gz LNMVVUVBOUBWJQ-CVEARBPZSA-N 1 1 280.456 3.454 20 30 CGEDMO CC(C)CN1CCC([NH2+][C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172297706 808219457 /nfs/dbraw/zinc/21/94/57/808219457.db2.gz RVZCNBBBMAETBP-INIZCTEOSA-N 1 1 299.462 3.199 20 30 CGEDMO CO[C@@H]1CCC[C@@H]2C[N@H+]([C@@H](C)Cc3ccc(C#N)cc3)C[C@@H]21 ZINC001172309879 808222706 /nfs/dbraw/zinc/22/27/06/808222706.db2.gz VXVJVSLXXCRIPK-KLIQENQMSA-N 1 1 298.430 3.236 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)c2cccs2)C1 ZINC001266200588 808227478 /nfs/dbraw/zinc/22/74/78/808227478.db2.gz OXDHOPRSFBGVCJ-KBPBESRZSA-N 1 1 292.448 3.297 20 30 CGEDMO C=C(C)CCC(=O)NCCC[C@@H]1CCC[N@H+]1C/C=C/Cl ZINC001266219135 808227884 /nfs/dbraw/zinc/22/78/84/808227884.db2.gz DKGGIPIMMGQCKF-HYJLXUOHSA-N 1 1 298.858 3.456 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001172319131 808229615 /nfs/dbraw/zinc/22/96/15/808229615.db2.gz LTIHUQPAXIFHDS-SMDDNHRTSA-N 1 1 282.309 3.373 20 30 CGEDMO C=CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)CCO[C@@H](C)CC ZINC001172326704 808234719 /nfs/dbraw/zinc/23/47/19/808234719.db2.gz LDEFQQXGSLFLFM-JYJNAYRXSA-N 1 1 299.455 3.314 20 30 CGEDMO CCCCCCCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001266263705 808234790 /nfs/dbraw/zinc/23/47/90/808234790.db2.gz UEABWJAORMGBSB-HNNXBMFYSA-N 1 1 268.445 3.336 20 30 CGEDMO C=C(C)CC[N@H+](C)CCNC(=O)c1ccccc1C(C)C ZINC001266280898 808236812 /nfs/dbraw/zinc/23/68/12/808236812.db2.gz YCVRKSSZUIRTQU-UHFFFAOYSA-N 1 1 288.435 3.438 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)CC)C1 ZINC001266301987 808238389 /nfs/dbraw/zinc/23/83/89/808238389.db2.gz GZXWAMIGBSGXJO-GJZGRUSLSA-N 1 1 268.445 3.193 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@@](C)(CO)[C@@H](O)C1 ZINC001172357918 808252670 /nfs/dbraw/zinc/25/26/70/808252670.db2.gz MZEQDTGBVWUXCA-ULQDDVLXSA-N 1 1 285.472 3.191 20 30 CGEDMO CCCCCCC[C@H](CC)[N@@H+]1CCn2cnnc2C1 ZINC001172358519 808253565 /nfs/dbraw/zinc/25/35/65/808253565.db2.gz PPZBEXGEUKNHOX-AWEZNQCLSA-N 1 1 264.417 3.233 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CCn2cnnc2C1 ZINC001172358519 808253572 /nfs/dbraw/zinc/25/35/72/808253572.db2.gz PPZBEXGEUKNHOX-AWEZNQCLSA-N 1 1 264.417 3.233 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)c1cccc(C)c1Cl ZINC001266425627 808260577 /nfs/dbraw/zinc/26/05/77/808260577.db2.gz WQYUXHOZXCMFEY-UHFFFAOYSA-N 1 1 294.826 3.276 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)/C=C\C(C)(C)C)C1 ZINC001266451187 808266854 /nfs/dbraw/zinc/26/68/54/808266854.db2.gz AXSXGNGAADAMCP-SNGWPZLWSA-N 1 1 292.467 3.335 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)CCCCCC)C1 ZINC001266473083 808272151 /nfs/dbraw/zinc/27/21/51/808272151.db2.gz WDLWNLNWDWCLJF-MRXNPFEDSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@@H](C)CC(C)C)C1 ZINC001266472872 808272211 /nfs/dbraw/zinc/27/22/11/808272211.db2.gz SIIQYUWOQHMBBX-IRXDYDNUSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)CCCC#CC ZINC001266476653 808272589 /nfs/dbraw/zinc/27/25/89/808272589.db2.gz AGSALWLIYRSULW-IAGOWNOFSA-N 1 1 290.451 3.115 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CCC ZINC001266481313 808273958 /nfs/dbraw/zinc/27/39/58/808273958.db2.gz OGDAZKWUCMXGOT-OAGGEKHMSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](CNC(=O)C2(CC)CCC2)C1 ZINC001266525570 808282622 /nfs/dbraw/zinc/28/26/22/808282622.db2.gz JRXMZTXOVIHCFX-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001266533290 808282925 /nfs/dbraw/zinc/28/29/25/808282925.db2.gz HQKFKYGKGCQDBY-HOTGVXAUSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(Cl)C[N@H+](CCC)CCNC(=O)c1ccoc1CC ZINC001266560509 808287137 /nfs/dbraw/zinc/28/71/37/808287137.db2.gz PMXKZAUZLNDRLQ-UHFFFAOYSA-N 1 1 298.814 3.036 20 30 CGEDMO C=C(Cl)C[N@@H+](CCC)CCNC(=O)c1ccoc1CC ZINC001266560509 808287141 /nfs/dbraw/zinc/28/71/41/808287141.db2.gz PMXKZAUZLNDRLQ-UHFFFAOYSA-N 1 1 298.814 3.036 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)c1cc(C)sc1C)C1CC1 ZINC001266600067 808294484 /nfs/dbraw/zinc/29/44/84/808294484.db2.gz HUVGAWDIMCRLKB-UHFFFAOYSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@H]1CCC[N@@H+](C/C=C\Cl)C1 ZINC001266752039 808311691 /nfs/dbraw/zinc/31/16/91/808311691.db2.gz NGMMQTNYHVUYGO-IQCBXXCUSA-N 1 1 298.858 3.169 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2(C)CC=CC2)C1 ZINC001266895591 808331152 /nfs/dbraw/zinc/33/11/52/808331152.db2.gz QFVIAFHKNXOIIL-HZPDHXFCSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001266896095 808333056 /nfs/dbraw/zinc/33/30/56/808333056.db2.gz WXAFEYDFPGLVOB-HZPDHXFCSA-N 1 1 292.467 3.215 20 30 CGEDMO COc1ccc2c(c1)C[N@@H+]([C@@H](C)CCCC#N)CC2 ZINC001172492454 808351453 /nfs/dbraw/zinc/35/14/53/808351453.db2.gz LKXWHYOUKASKSG-ZDUSSCGKSA-N 1 1 258.365 3.136 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@@H](C)CC)C1 ZINC001267106829 808359197 /nfs/dbraw/zinc/35/91/97/808359197.db2.gz XLIWVBWPBFKOJC-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001172505199 808361239 /nfs/dbraw/zinc/36/12/39/808361239.db2.gz KRPANOARTLLRHP-XJKSGUPXSA-N 1 1 276.355 3.361 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)CCCCCC)C1 ZINC001267114612 808361273 /nfs/dbraw/zinc/36/12/73/808361273.db2.gz JGBCOYYLDPYTTA-HNNXBMFYSA-N 1 1 266.429 3.066 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC001172506739 808361925 /nfs/dbraw/zinc/36/19/25/808361925.db2.gz ITENICSNKFCBNA-HOCLYGCPSA-N 1 1 258.365 3.142 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@H]([N@H+](C)CCCC)C2)C1 ZINC001267111714 808362231 /nfs/dbraw/zinc/36/22/31/808362231.db2.gz ROAKMFUJIXENCC-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@@H](Oc2cccnc2)C1 ZINC001172507279 808365003 /nfs/dbraw/zinc/36/50/03/808365003.db2.gz RTKKJQILKOSRJN-GDBMZVCRSA-N 1 1 273.380 3.007 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCOC[C@H]1C1CCCCC1 ZINC001172509786 808365559 /nfs/dbraw/zinc/36/55/59/808365559.db2.gz QPJOJWAYIGTJBR-ZBFHGGJFSA-N 1 1 264.413 3.350 20 30 CGEDMO C[C@H](CCCC#N)N1CC[NH+](C2(c3ccccc3)CC2)CC1 ZINC001172509938 808365604 /nfs/dbraw/zinc/36/56/04/808365604.db2.gz SRUFCJOFODHLOD-QGZVFWFLSA-N 1 1 297.446 3.376 20 30 CGEDMO Cc1ccnc(O[C@@H]2CCC[N@H+]([C@@H](C)CCCC#N)C2)c1 ZINC001172509827 808366753 /nfs/dbraw/zinc/36/67/53/808366753.db2.gz REEHTWAVLSDHNL-JKSUJKDBSA-N 1 1 287.407 3.316 20 30 CGEDMO C=CC(C)(C)C(=O)NCCC[C@H]1CCC[N@H+]1C/C=C\Cl ZINC001267170867 808374021 /nfs/dbraw/zinc/37/40/21/808374021.db2.gz APOHNDQHSMTEJM-YHAOYDPOSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCCC(=O)NCC[N@H+](C)Cc1ccc(C2CC2)cc1 ZINC001267188951 808378484 /nfs/dbraw/zinc/37/84/84/808378484.db2.gz UPCICKGSWWUUJX-UHFFFAOYSA-N 1 1 286.419 3.078 20 30 CGEDMO C=CC[N@H+](C)CCNC(=O)[C@@H](CC)CC1CCCCC1 ZINC001267220200 808385089 /nfs/dbraw/zinc/38/50/89/808385089.db2.gz LQIUMYYWFRBYNS-INIZCTEOSA-N 1 1 280.456 3.217 20 30 CGEDMO CC#CC[N@@H+](CCCNC(=O)C(F)=C1CCCC1)C(C)C ZINC001267243838 808393032 /nfs/dbraw/zinc/39/30/32/808393032.db2.gz LZZNONRIZZEJBG-UHFFFAOYSA-N 1 1 294.414 3.024 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H]1CCC[N@H+]1CCC1CCCC1 ZINC001267272057 808401403 /nfs/dbraw/zinc/40/14/03/808401403.db2.gz HYYSPUOTVDTBJV-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CC2(C)C)C1 ZINC001267291269 808407053 /nfs/dbraw/zinc/40/70/53/808407053.db2.gz CGXVNSQHGGCRJC-HZPDHXFCSA-N 1 1 294.483 3.441 20 30 CGEDMO C=C(C)CC[N@@H+](CCC)CCNC(=O)c1cc(C)c(C)o1 ZINC001267312657 808412442 /nfs/dbraw/zinc/41/24/42/808412442.db2.gz JUSWCIIOQHSXSH-UHFFFAOYSA-N 1 1 292.423 3.304 20 30 CGEDMO C=C(Cl)C[N@H+](CCC)CCNC(=O)C[C@@H]1C=CCCC1 ZINC001267315321 808412571 /nfs/dbraw/zinc/41/25/71/808412571.db2.gz JMCARYOMBIIAFU-OAHLLOKOSA-N 1 1 298.858 3.314 20 30 CGEDMO C=C(Cl)C[N@@H+](CCC)CCNC(=O)C[C@@H]1C=CCCC1 ZINC001267315321 808412574 /nfs/dbraw/zinc/41/25/74/808412574.db2.gz JMCARYOMBIIAFU-OAHLLOKOSA-N 1 1 298.858 3.314 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)c1ccc2ccccc2c1 ZINC001267319516 808412991 /nfs/dbraw/zinc/41/29/91/808412991.db2.gz KHNKYXSCKWDHKA-UHFFFAOYSA-N 1 1 296.414 3.468 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)[C@H]1CCC[C@H](C)C1 ZINC001267317057 808413942 /nfs/dbraw/zinc/41/39/42/808413942.db2.gz MRLFPOITVPAZCU-HOTGVXAUSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)c1c(C)cccc1C)C(C)C ZINC001267324502 808415009 /nfs/dbraw/zinc/41/50/09/808415009.db2.gz IZBVUGVBQWECKD-UHFFFAOYSA-N 1 1 288.435 3.320 20 30 CGEDMO C=C[C@H](CC)CC(=O)N(CCC)[C@H]1CC[N@@H+](CCC)C1 ZINC001267473792 808430986 /nfs/dbraw/zinc/43/09/86/808430986.db2.gz FGWJUQLJWUKSOS-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@H+](CCCNC(=O)c1[nH]ccc1C)C(C)C ZINC001267499656 808433260 /nfs/dbraw/zinc/43/32/60/808433260.db2.gz FKENVFFCUMHWRJ-UHFFFAOYSA-N 1 1 291.439 3.120 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H]1CCC[C@@H](C(=O)OC)CC1 ZINC001172792429 808441393 /nfs/dbraw/zinc/44/13/93/808441393.db2.gz BEUDVLOMKRQXGL-KGLIPLIRSA-N 1 1 253.386 3.006 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N(CCC)[C@@H]1CC[N@H+](C(C)C)C1 ZINC001267546459 808444277 /nfs/dbraw/zinc/44/42/77/808444277.db2.gz PDHZSLQWMPANCQ-JKSUJKDBSA-N 1 1 280.456 3.310 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC[C@H]1CC[N@H+](C[C@@H](C)CC)C1 ZINC001267560421 808447611 /nfs/dbraw/zinc/44/76/11/808447611.db2.gz HANKUDCAUHLCBU-HOTGVXAUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C1CC(C)(C(=O)NCC[C@H]2CC[N@H+](CC=C(C)C)C2)C1 ZINC001267569914 808450282 /nfs/dbraw/zinc/45/02/82/808450282.db2.gz FLIKCKFNEBSCLI-INIZCTEOSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)C2CC=CC2)C1 ZINC001267580212 808452219 /nfs/dbraw/zinc/45/22/19/808452219.db2.gz SGXKAPCZUNVUIJ-HOTGVXAUSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001267593611 808454008 /nfs/dbraw/zinc/45/40/08/808454008.db2.gz OROVMOJXBRNOLP-ULQDDVLXSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)CCC(C)C)C1 ZINC001267611271 808456909 /nfs/dbraw/zinc/45/69/09/808456909.db2.gz MRSJUNGICPXAHG-JKSUJKDBSA-N 1 1 280.456 3.358 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](CCCC)C(C)C)C1 ZINC001267622096 808460162 /nfs/dbraw/zinc/46/01/62/808460162.db2.gz MEZIQESKWAFSTO-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](CCCC)C(C)C)C1 ZINC001267622096 808460165 /nfs/dbraw/zinc/46/01/65/808460165.db2.gz MEZIQESKWAFSTO-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001267701952 808472902 /nfs/dbraw/zinc/47/29/02/808472902.db2.gz BIZOYHIHCNBZQT-JKSUJKDBSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001267724226 808478345 /nfs/dbraw/zinc/47/83/45/808478345.db2.gz VNWFHWVPZGAMHO-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)C2CCC=CCC2)C1 ZINC001267734411 808479015 /nfs/dbraw/zinc/47/90/15/808479015.db2.gz IAKSOXGUKXLAMY-RDJZCZTQSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)sc2C)C1 ZINC001267745208 808481073 /nfs/dbraw/zinc/48/10/73/808481073.db2.gz VUURMKVZRCAPFC-CQSZACIVSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CCCCC(=O)N(CC)[C@H]1CC[N@@H+](CC2CC(C)C2)C1 ZINC001267788638 808491413 /nfs/dbraw/zinc/49/14/13/808491413.db2.gz BNTVUSBHRLKKCP-JCYILVPMSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C/C(C)=C\CC(=O)N(CC)[C@H]1CC[N@H+](CC(=C)Cl)C1 ZINC001267788673 808491821 /nfs/dbraw/zinc/49/18/21/808491821.db2.gz BZKMLAWGYRHRAD-QLBUUCPGSA-N 1 1 296.842 3.184 20 30 CGEDMO C=C/C(C)=C\CC(=O)N(CC)[C@H]1CC[N@@H+](CC(=C)Cl)C1 ZINC001267788673 808491826 /nfs/dbraw/zinc/49/18/26/808491826.db2.gz BZKMLAWGYRHRAD-QLBUUCPGSA-N 1 1 296.842 3.184 20 30 CGEDMO CC[N@@H+](C(C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172979685 808497201 /nfs/dbraw/zinc/49/72/01/808497201.db2.gz GRERODSXBKVWNT-KGLIPLIRSA-N 1 1 295.427 3.008 20 30 CGEDMO C=CC[N@H+](C)CCN(C)C(=O)c1cc(C)c(C)cc1Cl ZINC001268244334 808566793 /nfs/dbraw/zinc/56/67/93/808566793.db2.gz ACFWFRCNRQAWOO-UHFFFAOYSA-N 1 1 294.826 3.147 20 30 CGEDMO CC[C@H]1CC[C@@H]([N@H+]2CCc3ccc(C#N)cc3C2)C1 ZINC001173271691 808575836 /nfs/dbraw/zinc/57/58/36/808575836.db2.gz FXYUISSHVNCTCE-SUMWQHHRSA-N 1 1 254.377 3.495 20 30 CGEDMO C=C1CCC(C(=O)NC2C[NH+](CC/C=C/CCC)C2)CC1 ZINC001268446106 808587928 /nfs/dbraw/zinc/58/79/28/808587928.db2.gz ULTLSKAGFQGOQL-AATRIKPKSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCCCC[NH+]1CC(NC(=O)[C@@H]2CCC[C@@H]2CC)C1 ZINC001268447122 808588239 /nfs/dbraw/zinc/58/82/39/808588239.db2.gz PHPJVRYOMMXTSR-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCCC[NH+]1CC(NC(=O)[C@@H]2C[C@@]2(C)C(C)C)C1 ZINC001268467472 808590741 /nfs/dbraw/zinc/59/07/41/808590741.db2.gz UQESQGIOABGSPC-WMZOPIPTSA-N 1 1 292.467 3.215 20 30 CGEDMO Cc1[nH]c2ccc(Nc3ncc(C)cc3C#N)cc2[nH+]1 ZINC001213072457 815221192 /nfs/dbraw/zinc/22/11/92/815221192.db2.gz UZFJRXBPNUIWEU-UHFFFAOYSA-N 1 1 263.304 3.190 20 30 CGEDMO C=CCOC1CCC([N@H+]2CC[C@@]3(CC3(F)F)C2)CC1 ZINC001173327813 808614730 /nfs/dbraw/zinc/61/47/30/808614730.db2.gz SXILDOARATXZHW-JXQTWKCFSA-N 1 1 271.351 3.231 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC=CCCC1 ZINC001268734692 808617663 /nfs/dbraw/zinc/61/76/63/808617663.db2.gz GGVHJJILAWZGNQ-JKSUJKDBSA-N 1 1 278.440 3.136 20 30 CGEDMO N#CCC1CCC([N@H+]2CCc3nc(C4CC4)ncc3C2)CC1 ZINC001173337516 808618965 /nfs/dbraw/zinc/61/89/65/808618965.db2.gz MXKYPUQGIAAWCP-UHFFFAOYSA-N 1 1 296.418 3.185 20 30 CGEDMO COCC[C@H]1CCCC[N@H+]1C1CCC(CC#N)CC1 ZINC001173340036 808620304 /nfs/dbraw/zinc/62/03/04/808620304.db2.gz XKOUKBITMLDUEM-HWOWSKLDSA-N 1 1 264.413 3.350 20 30 CGEDMO CC(C)[N@@H+](C1CCC(CC#N)CC1)C1CCN(C)CC1 ZINC001173341499 808621269 /nfs/dbraw/zinc/62/12/69/808621269.db2.gz XWOTWBHKAWOSMM-UHFFFAOYSA-N 1 1 277.456 3.263 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)c1ccc(Cl)s1 ZINC001268755777 808624351 /nfs/dbraw/zinc/62/43/51/808624351.db2.gz CQWPGKPXBKWBTJ-JTQLQIEISA-N 1 1 286.828 3.028 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)CC ZINC001268922903 808635975 /nfs/dbraw/zinc/63/59/75/808635975.db2.gz XZPQIMDZNMFCOX-JYJNAYRXSA-N 1 1 280.456 3.288 20 30 CGEDMO C=C(C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](C)CC(C)C ZINC001268947153 808636307 /nfs/dbraw/zinc/63/63/07/808636307.db2.gz CYLLFQJCKVPYOH-IKGGRYGDSA-N 1 1 292.467 3.310 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)C2CCCC2)C1 ZINC001268993519 808641723 /nfs/dbraw/zinc/64/17/23/808641723.db2.gz UNZPTPGEBRDLOG-INIZCTEOSA-N 1 1 280.456 3.338 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CC[C@H](c3ccncc3)C2)CC1 ZINC001173595933 808649475 /nfs/dbraw/zinc/64/94/75/808649475.db2.gz CECAEJLZFDVTAX-GTPINHCMSA-N 1 1 269.392 3.343 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)CC1 ZINC001173594821 808649595 /nfs/dbraw/zinc/64/95/95/808649595.db2.gz MMPNFAZEEZZBSX-CXUOOODFSA-N 1 1 298.430 3.137 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CCc3nc(C4CC4)ncc3C2)CC1 ZINC001173597975 808651212 /nfs/dbraw/zinc/65/12/12/808651212.db2.gz KUIKAJVJCZFUNG-UHFFFAOYSA-N 1 1 296.418 3.185 20 30 CGEDMO Cc1nc2c(s1)C[N@@H+](C1CCC(C)(C#N)CC1)C2 ZINC001173600905 808652180 /nfs/dbraw/zinc/65/21/80/808652180.db2.gz MFICDVOSVBMPSH-UHFFFAOYSA-N 1 1 261.394 3.240 20 30 CGEDMO Cc1nc2c(s1)C[N@H+](C1CCC(C)(C#N)CC1)C2 ZINC001173600905 808652181 /nfs/dbraw/zinc/65/21/81/808652181.db2.gz MFICDVOSVBMPSH-UHFFFAOYSA-N 1 1 261.394 3.240 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2coc(C)c2)C1 ZINC001269232959 808657556 /nfs/dbraw/zinc/65/75/56/808657556.db2.gz BPRCBZMCUMFXPB-CJNGLKHVSA-N 1 1 290.407 3.089 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C)c1cccs1 ZINC001269293335 808665661 /nfs/dbraw/zinc/66/56/61/808665661.db2.gz WXDKNSMQYPADAK-KBPBESRZSA-N 1 1 292.448 3.008 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C(C)C)C1 ZINC001269556343 808688281 /nfs/dbraw/zinc/68/82/81/808688281.db2.gz LITIXOYWIRAWCV-IRXDYDNUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@H]1[C@H]1CC[N@H+](CC(C)C)C1 ZINC001269558493 808689235 /nfs/dbraw/zinc/68/92/35/808689235.db2.gz YTERASACPSVNBE-IRXDYDNUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)CCC ZINC001269584423 808690034 /nfs/dbraw/zinc/69/00/34/808690034.db2.gz XEQORYXVHMKGMX-OAGGEKHMSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)CCC ZINC001269584425 808690160 /nfs/dbraw/zinc/69/01/60/808690160.db2.gz XEQORYXVHMKGMX-XHSDSOJGSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)CC[C@@H](C)CC)C2)C1 ZINC001269743239 808702651 /nfs/dbraw/zinc/70/26/51/808702651.db2.gz YYLMESNJZJLXND-FUHWJXTLSA-N 1 1 292.467 3.313 20 30 CGEDMO CCCCCCC[NH+]1CC(N(C)C(=O)c2ccc(C)o2)C1 ZINC001269751792 808703307 /nfs/dbraw/zinc/70/33/07/808703307.db2.gz UQAPBEAAMUPGKK-UHFFFAOYSA-N 1 1 292.423 3.315 20 30 CGEDMO CC#CCCCC(=O)N(C)C1C[NH+]([C@H](C)c2ccccc2)C1 ZINC001269839177 808706685 /nfs/dbraw/zinc/70/66/85/808706685.db2.gz LENJYZYIRNOFJH-MRXNPFEDSA-N 1 1 298.430 3.084 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)CC2CCCC2)C1 ZINC001270538916 808734836 /nfs/dbraw/zinc/73/48/36/808734836.db2.gz SBGBYQLGMSYDTI-QGZVFWFLSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)CC[C@H](C)CC)C1 ZINC001270643295 808740903 /nfs/dbraw/zinc/74/09/03/808740903.db2.gz VBNPXEZHHJMKOM-IUODEOHRSA-N 1 1 286.847 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)CC[C@H](C)CC)C1 ZINC001270643295 808740906 /nfs/dbraw/zinc/74/09/06/808740906.db2.gz VBNPXEZHHJMKOM-IUODEOHRSA-N 1 1 286.847 3.146 20 30 CGEDMO C=CC[N@H+](C)CCN(C)C(=O)c1cc2sccc2s1 ZINC001272048346 808794464 /nfs/dbraw/zinc/79/44/64/808794464.db2.gz DWQULWNBAVONHD-UHFFFAOYSA-N 1 1 294.445 3.153 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@H](C)[C@@H](C)CC ZINC001272138246 808799363 /nfs/dbraw/zinc/79/93/63/808799363.db2.gz SCRXNOOOOWNNEB-LSDHHAIUSA-N 1 1 268.445 3.025 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)[C@@H](C)c1ccccc1C ZINC001272178260 808800690 /nfs/dbraw/zinc/80/06/90/808800690.db2.gz FERCCJLZYCPZDB-INIZCTEOSA-N 1 1 288.435 3.065 20 30 CGEDMO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2C[C@@H](C)CCC ZINC001272432107 808809350 /nfs/dbraw/zinc/80/93/50/808809350.db2.gz ZDSKKMHJCPMLGR-WMZOPIPTSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@H+](C[C@@H](C)CCC)CC2)C1=O ZINC001272432926 808809489 /nfs/dbraw/zinc/80/94/89/808809489.db2.gz SRAUNMWLLRLPIC-FUHWJXTLSA-N 1 1 292.467 3.313 20 30 CGEDMO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CCCCCCC ZINC001272476148 808812336 /nfs/dbraw/zinc/81/23/36/808812336.db2.gz JWXXHBQXCRIYKZ-GOSISDBHSA-N 1 1 290.451 3.047 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@]12CCN(CC(=C)C)C2=O ZINC001272700454 808821383 /nfs/dbraw/zinc/82/13/83/808821383.db2.gz XMJASLXYNRGBED-SFHVURJKSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCN1CC[C@@]2(CC[N@@H+](CCC3CCCCC3)C2)C1=O ZINC001272863551 808825773 /nfs/dbraw/zinc/82/57/73/808825773.db2.gz YTMQSIJXELMBPR-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO N#Cc1nc(Cl)ccc1Nc1cc[nH+]c2ccccc12 ZINC001174037647 808835336 /nfs/dbraw/zinc/83/53/36/808835336.db2.gz YJYVJPXKJIEXAK-UHFFFAOYSA-N 1 1 280.718 3.320 20 30 CGEDMO CC(C)n1ncc(C#N)c1Nc1cc[nH+]c2ccccc12 ZINC001174039621 808838180 /nfs/dbraw/zinc/83/81/80/808838180.db2.gz XZCYWARQKWJECF-UHFFFAOYSA-N 1 1 277.331 3.049 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CCC[N@H+](CC2CC(C)C2)CC1 ZINC001273417703 808844268 /nfs/dbraw/zinc/84/42/68/808844268.db2.gz JFMOLESMVJDCMU-OFLPRAFFSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@@]12CCN([C@H](C)CC)C2=O ZINC001273495189 808850389 /nfs/dbraw/zinc/85/03/89/808850389.db2.gz PUDDRLJQEPJETM-WBVHZDCISA-N 1 1 278.440 3.208 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C=C)CC)C(C)(C)C1 ZINC001274446291 808875828 /nfs/dbraw/zinc/87/58/28/808875828.db2.gz OQRKFBRZOMTUQI-JKSUJKDBSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@](C)(F)CCCC)C(C)(C)C1 ZINC001274436780 808875975 /nfs/dbraw/zinc/87/59/75/808875975.db2.gz PRFVBPOHQHRVEY-RHSMWYFYSA-N 1 1 298.446 3.308 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)CCCCC)C[C@H]1C ZINC001274663028 808881362 /nfs/dbraw/zinc/88/13/62/808881362.db2.gz QUJRNGKPMNWOBA-CVEARBPZSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)C1(C)CC1 ZINC001275107536 808909392 /nfs/dbraw/zinc/90/93/92/808909392.db2.gz DQOVYDLZYDFEIK-HUUCEWRRSA-N 1 1 278.440 3.064 20 30 CGEDMO C#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C)CCC(C)(C)C ZINC001275159734 808917431 /nfs/dbraw/zinc/91/74/31/808917431.db2.gz GEYAIWKTSYMYAJ-JKSUJKDBSA-N 1 1 292.467 3.005 20 30 CGEDMO CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@@H](CC)C(C)C ZINC001275161312 808919144 /nfs/dbraw/zinc/91/91/44/808919144.db2.gz YIXRBPJQAOVLJM-SJORKVTESA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)Cc1ccccc1 ZINC001275593127 808949845 /nfs/dbraw/zinc/94/98/45/808949845.db2.gz YNDJTLVXYPIRPP-HZPDHXFCSA-N 1 1 288.435 3.020 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)c1c(C)cc(F)cc1C ZINC001275616538 808951331 /nfs/dbraw/zinc/95/13/31/808951331.db2.gz YGENYXIFQSUVGS-CQSZACIVSA-N 1 1 292.398 3.069 20 30 CGEDMO C=C1CCC(C(=O)N[C@H](C)C[N@@H+](C)CCCCCF)CC1 ZINC001275636234 808954251 /nfs/dbraw/zinc/95/42/51/808954251.db2.gz AKLDNGOZQYTORI-OAHLLOKOSA-N 1 1 298.446 3.309 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)Cc1ccc(C)s1 ZINC001275727859 808959561 /nfs/dbraw/zinc/95/95/61/808959561.db2.gz ACARHOZWYXKVND-CYBMUJFWSA-N 1 1 294.464 3.002 20 30 CGEDMO C=CCCC(=O)NC[C@@H](C)[N@@H+](C)[C@@H](C)c1ccccc1 ZINC001275780775 808965913 /nfs/dbraw/zinc/96/59/13/808965913.db2.gz HQQYRPVADSYFSP-CABCVRRESA-N 1 1 274.408 3.150 20 30 CGEDMO C#CCCC[N@H+]1CCC[C@@]2(CCCN(Cc3ccc[nH]3)C2)C1 ZINC001275975392 808980368 /nfs/dbraw/zinc/98/03/68/808980368.db2.gz AYQYXLMNSSNELC-LJQANCHMSA-N 1 1 299.462 3.106 20 30 CGEDMO N#Cc1ccccc1CN1CC[C@H]2[C@@H]1CC[N@H+]2C1CCCC1 ZINC001275965314 808981051 /nfs/dbraw/zinc/98/10/51/808981051.db2.gz AQNXCLDGRGOCMM-OALUTQOASA-N 1 1 295.430 3.149 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)c1ccc(C(C)C)cc1 ZINC001275985379 808982154 /nfs/dbraw/zinc/98/21/54/808982154.db2.gz ANGBHOUOAZWZMA-HNNXBMFYSA-N 1 1 288.435 3.436 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@@]1(C)CC=C(C)CC1 ZINC001276001111 808983930 /nfs/dbraw/zinc/98/39/30/808983930.db2.gz DMCDESJUVBXQLB-WBVHZDCISA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCCCCN1C[C@@H]2C[N@@H+](C3CCCC3)C[C@H](C1)O2 ZINC001276041339 808986094 /nfs/dbraw/zinc/98/60/94/808986094.db2.gz WBKRUZVUFPLJNU-HDICACEKSA-N 1 1 292.467 3.060 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@H]2CN(C3CCCC3)C[C@@H](C1)O2 ZINC001276041339 808986096 /nfs/dbraw/zinc/98/60/96/808986096.db2.gz WBKRUZVUFPLJNU-HDICACEKSA-N 1 1 292.467 3.060 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H]2CN(C3CCCC3)C[C@@H](C1)O2 ZINC001276041339 808986097 /nfs/dbraw/zinc/98/60/97/808986097.db2.gz WBKRUZVUFPLJNU-HDICACEKSA-N 1 1 292.467 3.060 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H]1CCCCC[N@H+]1C/C=C\Cl ZINC001276312866 809001410 /nfs/dbraw/zinc/00/14/10/809001410.db2.gz VPNLKSKDRCADFL-QQBNSCQMSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)CC)C(C)(C)C1 ZINC001276578441 809019552 /nfs/dbraw/zinc/01/95/52/809019552.db2.gz HHSDPTXJOJRJTP-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1C[N@@H+](CC=C(C)C)CC1(C)C ZINC001276608949 809020089 /nfs/dbraw/zinc/02/00/89/809020089.db2.gz TXXGZPIBIGCRFA-YJBOKZPZSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCCCC(=O)NC[C@@H]1CC[N@H+]1CC1CC2(CCC2)C1 ZINC001276916686 809045970 /nfs/dbraw/zinc/04/59/70/809045970.db2.gz USRMEAOHOCGENV-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C[C@H](CC(=O)NC[C@@H]1CC[N@@H+]1CC(=C)C)c1ccccc1 ZINC001276978459 809051386 /nfs/dbraw/zinc/05/13/86/809051386.db2.gz MDXAEQSAVAUTSL-AEFFLSMTSA-N 1 1 298.430 3.113 20 30 CGEDMO N#Cc1ccc(F)c(N2CC[C@H]3[C@@H]2CC[N@H+]3C2CCCC2)c1 ZINC001277023200 809054091 /nfs/dbraw/zinc/05/40/91/809054091.db2.gz FMWRJDLYGUQEJY-IRXDYDNUSA-N 1 1 299.393 3.293 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@@H]1[C@@H]1CC[N@H+](CCC)C1 ZINC001277283817 809067393 /nfs/dbraw/zinc/06/73/93/809067393.db2.gz HERGOCNNZDDTRV-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC(=O)N1CC[C@@]2(C1)CCC[N@H+](C[C@@H](F)CC)C2 ZINC001277459595 809075318 /nfs/dbraw/zinc/07/53/18/809075318.db2.gz QSPRTXWWTSWEJK-RDJZCZTQSA-N 1 1 296.430 3.015 20 30 CGEDMO C#CC[N@H+](C)C1CCN(C(=O)[C@H](C)CCCCCC)CC1 ZINC001277435291 809075838 /nfs/dbraw/zinc/07/58/38/809075838.db2.gz KYGKDJHAERBLKF-MRXNPFEDSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C3(C)CC3)C2)C1 ZINC001277464677 809076066 /nfs/dbraw/zinc/07/60/66/809076066.db2.gz HPUGHCHMEGMPPL-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)CCCC)C2)C1 ZINC001277502088 809076953 /nfs/dbraw/zinc/07/69/53/809076953.db2.gz IIFGPMPJXOQZDS-FUHWJXTLSA-N 1 1 292.467 3.456 20 30 CGEDMO CCCC[C@@H](CC)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2CCC#N ZINC001277936239 809107592 /nfs/dbraw/zinc/10/75/92/809107592.db2.gz BZTZXFCNZUJPNN-ZACQAIPSSA-N 1 1 277.456 3.265 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@](C)(NC(=O)CCCCCC(C)C)C1 ZINC001278426677 809131931 /nfs/dbraw/zinc/13/19/31/809131931.db2.gz IYUNWPGWFINVLY-GOSISDBHSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](C)c2cccs2)C1 ZINC001278427478 809132049 /nfs/dbraw/zinc/13/20/49/809132049.db2.gz UYAVADBZEPIDIO-XJKSGUPXSA-N 1 1 292.448 3.008 20 30 CGEDMO C=CCCC[N@H+]1CC[C@]2(NC(=O)CCC=C)CCC[C@H]12 ZINC001278441168 809133246 /nfs/dbraw/zinc/13/32/46/809133246.db2.gz XJGOORZEERLTLO-DOTOQJQBSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C=C2CCC2)[C@@H]1C ZINC001278505378 809138572 /nfs/dbraw/zinc/13/85/72/809138572.db2.gz JDRNHGRCPQHYND-HOCLYGCPSA-N 1 1 276.424 3.032 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CCCCCCCC)[C@H]1C ZINC001278526107 809139882 /nfs/dbraw/zinc/13/98/82/809139882.db2.gz FZRWFDJJJKHBFJ-IAGOWNOFSA-N 1 1 292.467 3.339 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C2(CC)CC2)[C@@H]1C ZINC001278522520 809140235 /nfs/dbraw/zinc/14/02/35/809140235.db2.gz YZORGJUZIOYZNQ-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)C2(CCC)CC2)C1 ZINC001278677307 809151727 /nfs/dbraw/zinc/15/17/27/809151727.db2.gz GNOUTIRQLMAJIA-KRWDZBQOSA-N 1 1 292.467 3.361 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)C(C)(CC)CC)C1 ZINC001278693328 809152957 /nfs/dbraw/zinc/15/29/57/809152957.db2.gz IJNUOKCJMYTHAI-QGZVFWFLSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)[C@H]1C[C@@H]1C1CCCC1)C(C)C ZINC001278926626 809156886 /nfs/dbraw/zinc/15/68/86/809156886.db2.gz SLSXRJPWJVIVHI-SJORKVTESA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC1CC1)C2 ZINC001278954380 809158397 /nfs/dbraw/zinc/15/83/97/809158397.db2.gz ZWYJZPFNTTZDDU-ULQDDVLXSA-N 1 1 290.451 3.112 20 30 CGEDMO Cc1[nH+]ccn1-c1ccc(Nc2ccc(C#N)cc2N)cc1 ZINC001213358011 815269384 /nfs/dbraw/zinc/26/93/84/815269384.db2.gz ARSBOLJXKJXCCE-UHFFFAOYSA-N 1 1 289.342 3.378 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@]1(C)CCC[C@@H]1C ZINC001280855974 809202157 /nfs/dbraw/zinc/20/21/57/809202157.db2.gz GCNVBHCLBFYOAZ-DOTOQJQBSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H](C=C)CC)C2 ZINC001281086472 809206675 /nfs/dbraw/zinc/20/66/75/809206675.db2.gz DALKNZKHXDIYFI-AEFFLSMTSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@H+](CC(C)C)CC1(C)C ZINC001281551708 809215560 /nfs/dbraw/zinc/21/55/60/809215560.db2.gz CISIPGDXSPXSMB-HNNXBMFYSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CSC(C)C)C[C@H]1C ZINC001281653150 809216104 /nfs/dbraw/zinc/21/61/04/809216104.db2.gz RGRKLHDAXNSDEV-HUUCEWRRSA-N 1 1 298.496 3.063 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCCCC)C[C@H]1C ZINC001281653699 809216434 /nfs/dbraw/zinc/21/64/34/809216434.db2.gz UMIFQWWSYKOPDR-ZIAGYGMSSA-N 1 1 286.847 3.288 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCCCC)C[C@H]1C ZINC001281653699 809216437 /nfs/dbraw/zinc/21/64/37/809216437.db2.gz UMIFQWWSYKOPDR-ZIAGYGMSSA-N 1 1 286.847 3.288 20 30 CGEDMO C=CCCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C1CC1 ZINC001281767666 809220072 /nfs/dbraw/zinc/22/00/72/809220072.db2.gz CMSRDZNRBLEVSP-SFHVURJKSA-N 1 1 298.430 3.078 20 30 CGEDMO C=CC[N@H+](CC)CC1CCN(C(=O)C2CC(C)(C)C2)CC1 ZINC001281830854 809221438 /nfs/dbraw/zinc/22/14/38/809221438.db2.gz OCAKQBZNXCLRCC-UHFFFAOYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)C[C@@H](C)CCC ZINC001281917949 809223269 /nfs/dbraw/zinc/22/32/69/809223269.db2.gz YDTZUPVIETVZML-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C)C(C)C ZINC001281955391 809225110 /nfs/dbraw/zinc/22/51/10/809225110.db2.gz MPAZYWZZDOPXTB-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1C[N@@H+](C)CC(=C)C ZINC001281957387 809226217 /nfs/dbraw/zinc/22/62/17/809226217.db2.gz RANLZHFEUVHHHC-WBVHZDCISA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)c1cc(C)cc(Cl)c1 ZINC001282432279 809247096 /nfs/dbraw/zinc/24/70/96/809247096.db2.gz ZIGFIJMDTNPBOB-CYBMUJFWSA-N 1 1 294.826 3.275 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)C[C@@H](CC)C(C)C ZINC001282478623 809249590 /nfs/dbraw/zinc/24/95/90/809249590.db2.gz SICFMWUFJVRKLV-LSDHHAIUSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)C1(CC)CCCC1 ZINC001282478468 809250366 /nfs/dbraw/zinc/25/03/66/809250366.db2.gz OQUXNKRRIJNGDH-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC1(C(=O)NC[C@H](C)[N@@H+](C)CC(=C)C)CCCC1 ZINC001282505370 809253013 /nfs/dbraw/zinc/25/30/13/809253013.db2.gz XYEMUCWMBRZVOF-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCCCC[N@@H+]1CCCC ZINC001282661116 809257546 /nfs/dbraw/zinc/25/75/46/809257546.db2.gz GWRZVVOMJQEFMG-HNNXBMFYSA-N 1 1 266.429 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)C1CC1 ZINC001282673652 809259341 /nfs/dbraw/zinc/25/93/41/809259341.db2.gz AONBCKREDKAMEX-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H]1C[N@@H+](CC(C)C)CC1(C)C ZINC001282819458 809263730 /nfs/dbraw/zinc/26/37/30/809263730.db2.gz BAOSFTTXYLTYEH-WMLDXEAASA-N 1 1 280.456 3.071 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](CC2CCC2)CC1(C)C ZINC001282824869 809265237 /nfs/dbraw/zinc/26/52/37/809265237.db2.gz VWDMNUFTHCXUPY-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)C(C)(C)F)C2)C1 ZINC001282958643 809266352 /nfs/dbraw/zinc/26/63/52/809266352.db2.gz PQBBBMXDGIALKT-CQSZACIVSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@@H](C)C(C)(C)C)CC1 ZINC001284930407 809320863 /nfs/dbraw/zinc/32/08/63/809320863.db2.gz STNBTYKQUPMZDV-OAHLLOKOSA-N 1 1 292.467 3.383 20 30 CGEDMO COc1cc(Nc2cc(F)cc(C#N)c2)[nH+]cc1C ZINC001175682413 809501912 /nfs/dbraw/zinc/50/19/12/809501912.db2.gz KPGJZWVOBNJDLQ-UHFFFAOYSA-N 1 1 257.268 3.153 20 30 CGEDMO C=CC(C)(C)CCCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001303335033 809609531 /nfs/dbraw/zinc/60/95/31/809609531.db2.gz QBQDFEOPDCZRBK-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C[C@@]12CSC[C@@H]1C[N@@H+](CC1CCC(C#N)CC1)C2 ZINC001176804146 809762736 /nfs/dbraw/zinc/76/27/36/809762736.db2.gz NEAXJEYUSSSZJG-PFSRBDOWSA-N 1 1 264.438 3.001 20 30 CGEDMO C#CC[N@H+](CC1CCC(OC)CC1)C1CCCCC1 ZINC001180031058 809968952 /nfs/dbraw/zinc/96/89/52/809968952.db2.gz UBYLGCZJABMJSG-UHFFFAOYSA-N 1 1 263.425 3.460 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cs1)Cc1cccc(F)c1O ZINC001184035965 810175867 /nfs/dbraw/zinc/17/58/67/810175867.db2.gz SPAXYTLCWSAEMP-UHFFFAOYSA-N 1 1 276.336 3.096 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1cccc(F)c1O ZINC001184035965 810175872 /nfs/dbraw/zinc/17/58/72/810175872.db2.gz SPAXYTLCWSAEMP-UHFFFAOYSA-N 1 1 276.336 3.096 20 30 CGEDMO C=C1CCC(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC001184246605 810185225 /nfs/dbraw/zinc/18/52/25/810185225.db2.gz KGDCTGJJNUFMMN-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)c3ccccc3)C[C@H]21 ZINC001187208746 810389434 /nfs/dbraw/zinc/38/94/34/810389434.db2.gz KBSLOXYBZLSEJJ-RYQLBKOJSA-N 1 1 298.430 3.247 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)/C=C\C(C)(C)C)[C@@H]2C1 ZINC001187367781 810396694 /nfs/dbraw/zinc/39/66/94/810396694.db2.gz WPOSPWIQTNULRX-HPRJGHKQSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)CCCC)[C@@H]2C1 ZINC001187779243 810423977 /nfs/dbraw/zinc/42/39/77/810423977.db2.gz DURSZZSOGVVYFO-IXDOHACOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@H+](C[C@@H](C)CC)C[C@H]21 ZINC001188056765 810447098 /nfs/dbraw/zinc/44/70/98/810447098.db2.gz ASJPSMRCILBRHF-HRCADAONSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2C[N@@H+](CC=C(C)C)C[C@H]21 ZINC001188885576 810521340 /nfs/dbraw/zinc/52/13/40/810521340.db2.gz QWHPKKKWGRSMDT-YESZJQIVSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C2CCCCCC2)C1 ZINC001189260658 810551954 /nfs/dbraw/zinc/55/19/54/810551954.db2.gz ICGPUOLFHXGWKK-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)CCC)C1 ZINC001189287403 810556286 /nfs/dbraw/zinc/55/62/86/810556286.db2.gz DUOVFWYFMDQQDT-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)CCC)[C@@H]2C1 ZINC001189576856 810579988 /nfs/dbraw/zinc/57/99/88/810579988.db2.gz QCQDUXZKTBAXAY-YESZJQIVSA-N 1 1 292.467 3.312 20 30 CGEDMO C/C=C(\C)C(=O)N1CC[C@H]([N@H+](C)CCCCCCC)C1 ZINC001189592837 810581311 /nfs/dbraw/zinc/58/13/11/810581311.db2.gz CGHKVRQHIHHSSM-KBHCHJSJSA-N 1 1 280.456 3.456 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C(F)=C(C)C)C1 ZINC001189619360 810582974 /nfs/dbraw/zinc/58/29/74/810582974.db2.gz BZPSRIBNPKHSNR-KBPBESRZSA-N 1 1 282.403 3.137 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)C=C2CCC2)C1 ZINC001189611874 810583089 /nfs/dbraw/zinc/58/30/89/810583089.db2.gz XBHMIPDPCUKYDM-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)c2coc(C)c2)C1 ZINC001189816991 810590901 /nfs/dbraw/zinc/59/09/01/810590901.db2.gz CIMCLDMIQBHGJF-CZUORRHYSA-N 1 1 290.407 3.089 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)CCCC)C1 ZINC001189974283 810599277 /nfs/dbraw/zinc/59/92/77/810599277.db2.gz VNOQHXKVFYSSLY-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)CCCCCC)[C@@H]2C1 ZINC001190027888 810603407 /nfs/dbraw/zinc/60/34/07/810603407.db2.gz NQNBLGGBRHZSAD-DLBZAZTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[C@H]([N@@H+](C)CCC(=C)C)C1 ZINC001190353543 810621414 /nfs/dbraw/zinc/62/14/14/810621414.db2.gz ABVNPAHSCBYLDW-KRWDZBQOSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)CC=C(C)C)C1 ZINC001190354290 810622116 /nfs/dbraw/zinc/62/21/16/810622116.db2.gz HTNHPJYKVIYXLD-CQSZACIVSA-N 1 1 298.858 3.264 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)c2csc(C)c2C)C1 ZINC001190337531 810622493 /nfs/dbraw/zinc/62/24/93/810622493.db2.gz STXOPEMVRLZVNJ-AWEZNQCLSA-N 1 1 292.448 3.087 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C2(CC(C)C)CC2)C1 ZINC001190565441 810634022 /nfs/dbraw/zinc/63/40/22/810634022.db2.gz GKEKEJCRRUSBKU-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO CC[N@@H+](C[C@@H](C)C#N)C[C@@H]1CCCC12CCOCC2 ZINC001190642781 810641891 /nfs/dbraw/zinc/64/18/91/810641891.db2.gz HRWMNLFPSWJLCI-GJZGRUSLSA-N 1 1 264.413 3.065 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)C(C)(C)C)C1 ZINC001190932680 810657419 /nfs/dbraw/zinc/65/74/19/810657419.db2.gz AXNOGFHRPNKVRI-LSDHHAIUSA-N 1 1 280.456 3.168 20 30 CGEDMO C[C@H]1C[N@H+](Cc2cc(C#N)ccn2)[C@H]1c1ccccc1 ZINC001191400411 810710050 /nfs/dbraw/zinc/71/00/50/810710050.db2.gz OYTQHLRMAKZIQJ-SUMWQHHRSA-N 1 1 263.344 3.146 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cc(C#N)ccn2)[C@H]1c1ccccc1 ZINC001191400411 810710053 /nfs/dbraw/zinc/71/00/53/810710053.db2.gz OYTQHLRMAKZIQJ-SUMWQHHRSA-N 1 1 263.344 3.146 20 30 CGEDMO C#CCC[N@H+](C)[C@H]1CCN(C(=O)C[C@H](CC)CCCC)C1 ZINC001191430013 810713029 /nfs/dbraw/zinc/71/30/29/810713029.db2.gz AIRONZSZOGPOSS-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C[C@H]2CC=CCC2)C1 ZINC001191728456 810732398 /nfs/dbraw/zinc/73/23/98/810732398.db2.gz ZDGREMPFEQGAAZ-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C/C=C(/C)C=C)C1 ZINC001191830080 810749097 /nfs/dbraw/zinc/74/90/97/810749097.db2.gz UDSPCQDURUFONJ-IYLRHEGRSA-N 1 1 290.451 3.396 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]([N@@H+](C)CC2CCCC2)C1 ZINC001192058911 810768415 /nfs/dbraw/zinc/76/84/15/810768415.db2.gz CBBOYLQIHDBVAN-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCCC(=O)N1CC[C@@H]([N@@H+](C)CCC2CCCC2)C1 ZINC001192094570 810768808 /nfs/dbraw/zinc/76/88/08/810768808.db2.gz VJTSPGJQEQFMAN-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)CCC=C)C1 ZINC001192093210 810768906 /nfs/dbraw/zinc/76/89/06/810768906.db2.gz HUYCOXGKUSXMFM-HOTGVXAUSA-N 1 1 278.440 3.230 20 30 CGEDMO CCCCCCCC[N@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC001192213806 810776014 /nfs/dbraw/zinc/77/60/14/810776014.db2.gz LNYOPGKZAPFYAC-GJZGRUSLSA-N 1 1 266.429 3.090 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@H]([N@H+](C)CC[C@@H](C)F)C2)CCC1 ZINC001192225737 810777710 /nfs/dbraw/zinc/77/77/10/810777710.db2.gz BJNCWTUTUMEQES-CABCVRRESA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](CCC)C(C)C)C1 ZINC001192610159 810810595 /nfs/dbraw/zinc/81/05/95/810810595.db2.gz AITJWLXOBMWIEJ-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)CCCCCC)C1 ZINC001192986467 810839114 /nfs/dbraw/zinc/83/91/14/810839114.db2.gz FNGGHNLQTMVEBT-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)CC(C)C)C1 ZINC001193408650 810883395 /nfs/dbraw/zinc/88/33/95/810883395.db2.gz OLVKZDDDTXMWQQ-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)CCCC2CCCCC2)C1 ZINC001193865855 810970043 /nfs/dbraw/zinc/97/00/43/810970043.db2.gz SHYMXBXWLWHBLY-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)[C@@H](CO)[N@@H+](C)CCOc1ccccc1C(C)(C)C ZINC001193914490 810978950 /nfs/dbraw/zinc/97/89/50/810978950.db2.gz UQTUFEJLIFZTIY-MRXNPFEDSA-N 1 1 291.435 3.232 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nnc(-c2cccc(OC)c2)o1 ZINC001193943105 810981346 /nfs/dbraw/zinc/98/13/46/810981346.db2.gz RRNUDAFBACMADU-CQSZACIVSA-N 1 1 299.374 3.286 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2cccc(OC)c2)o1 ZINC001193943105 810981350 /nfs/dbraw/zinc/98/13/50/810981350.db2.gz RRNUDAFBACMADU-CQSZACIVSA-N 1 1 299.374 3.286 20 30 CGEDMO CCCCCCCOC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC001194013360 811000697 /nfs/dbraw/zinc/00/06/97/811000697.db2.gz WJDSDNFZHCABIV-CQSZACIVSA-N 1 1 270.417 3.025 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C2CCC=CCC2)C1 ZINC001194072047 811011577 /nfs/dbraw/zinc/01/15/77/811011577.db2.gz NABBVPWBLLBMDZ-QGZVFWFLSA-N 1 1 290.451 3.232 20 30 CGEDMO C#CC[N@H+](CCOc1cccc(OC)c1)Cc1ccccc1 ZINC001194164918 811024694 /nfs/dbraw/zinc/02/46/94/811024694.db2.gz NQKLWIWVOOKMLC-UHFFFAOYSA-N 1 1 295.382 3.209 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)C(C)C)C2)CCCCC1 ZINC001194199815 811034150 /nfs/dbraw/zinc/03/41/50/811034150.db2.gz HAOMAFXONAFLEO-MRXNPFEDSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)c2sccc2CC)C1 ZINC001194208665 811035292 /nfs/dbraw/zinc/03/52/92/811035292.db2.gz JPSDLXOTDWPRBJ-CQSZACIVSA-N 1 1 292.448 3.033 20 30 CGEDMO C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@](C)(CC)CCCCC)C1 ZINC001194326266 811052540 /nfs/dbraw/zinc/05/25/40/811052540.db2.gz NHXSRINJTWMZJF-FUHWJXTLSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)C/C=C\c2ccc(C)cc2)C1 ZINC001194606061 811093519 /nfs/dbraw/zinc/09/35/19/811093519.db2.gz HEBCRLFGTBUYCT-XFHJGTJQSA-N 1 1 298.430 3.117 20 30 CGEDMO CCCCCCCCOC(=O)NCCn1cc[nH+]c1C ZINC001194748043 811122674 /nfs/dbraw/zinc/12/26/74/811122674.db2.gz NBGDULHCDZNXIT-UHFFFAOYSA-N 1 1 281.400 3.278 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)/C=C(/C)C2CC2)CC1 ZINC001195017339 811186085 /nfs/dbraw/zinc/18/60/85/811186085.db2.gz XCKUXVDEFMKVQK-FCFCDCELSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC[N@H+]1CCCN(C(=O)C2CCCCCC2)CC1 ZINC001195182001 811224597 /nfs/dbraw/zinc/22/45/97/811224597.db2.gz FKULZLFGDGOTLH-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCCC(=O)N1CCC[N@H+]([C@@H]2CCc3ccccc32)CC1 ZINC001195226118 811229069 /nfs/dbraw/zinc/22/90/69/811229069.db2.gz MZVQKAJLQVWHMJ-GOSISDBHSA-N 1 1 298.430 3.174 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2c[nH]c(=O)c3ccccc23)C1 ZINC001195462812 811257129 /nfs/dbraw/zinc/25/71/29/811257129.db2.gz DJFVRVDDBXPFRD-AWEZNQCLSA-N 1 1 280.371 3.176 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](CCCc2cccc(OC)c2)C1 ZINC001195464519 811258037 /nfs/dbraw/zinc/25/80/37/811258037.db2.gz WKSWIYIOTMPNLS-QGZVFWFLSA-N 1 1 271.404 3.363 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](C[C@H]2CCC(C)(C)CO2)C1 ZINC001195954880 811305217 /nfs/dbraw/zinc/30/52/17/811305217.db2.gz MKLQVABHEMQGRT-LSDHHAIUSA-N 1 1 251.414 3.480 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)C(C)(C)C(C)C)CC1 ZINC001195957835 811305542 /nfs/dbraw/zinc/30/55/42/811305542.db2.gz KBCCTSNJIPABJN-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[N@H+](CCCCCC)CC1 ZINC001196017823 811310653 /nfs/dbraw/zinc/31/06/53/811310653.db2.gz DEWWKRPAPPSKGW-UHFFFAOYSA-N 1 1 280.456 3.457 20 30 CGEDMO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)OCc1ccccc1 ZINC001196056573 811314115 /nfs/dbraw/zinc/31/41/15/811314115.db2.gz LSBQHIBYITVMHA-SJORKVTESA-N 1 1 287.403 3.454 20 30 CGEDMO C=CC[C@H](C(=O)OC)[N@H+](C)CCCC(CC)CC ZINC001196518233 811350488 /nfs/dbraw/zinc/35/04/88/811350488.db2.gz LCXRBFOSEDEUDJ-CQSZACIVSA-N 1 1 255.402 3.252 20 30 CGEDMO C#CCC[N@@H+]1CCCN(C(=O)C[C@@H](CC)CCCC)CC1 ZINC001196574760 811354597 /nfs/dbraw/zinc/35/45/97/811354597.db2.gz RJUIJYWBHXUOQH-KRWDZBQOSA-N 1 1 292.467 3.151 20 30 CGEDMO C=CCCC[N@H+]1CCCN(C(=O)C2(C3CC3)CCC2)CC1 ZINC001196666059 811358001 /nfs/dbraw/zinc/35/80/01/811358001.db2.gz PVQIFCINGUDZJT-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C/C(C)=C\CC(=O)N1CCC[N@H+](CCC(=C)C)CC1 ZINC001196823350 811371156 /nfs/dbraw/zinc/37/11/56/811371156.db2.gz IGGGPJABVOGKFR-APSNUPSMSA-N 1 1 276.424 3.009 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)c2cc(C)co2)CC1 ZINC001196830224 811373776 /nfs/dbraw/zinc/37/37/76/811373776.db2.gz JBHMARBPVXUKEO-HNNXBMFYSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[N@@H+](CC2CC(C)C2)CC1 ZINC001196894724 811379644 /nfs/dbraw/zinc/37/96/44/811379644.db2.gz CBQHEFQOPCYXBH-AQFXKWCLSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@](C)(C=C)CC)CC1 ZINC001197038877 811393339 /nfs/dbraw/zinc/39/33/39/811393339.db2.gz ZRAOYXJEEBGBJS-SJLPKXTDSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC1(C(=O)N2CCC[N@@H+](C[C@@H](F)CC)CC2)CCC1 ZINC001197077548 811397382 /nfs/dbraw/zinc/39/73/82/811397382.db2.gz URTLDUNIEYVEFS-HNNXBMFYSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC1(C(=O)N2CCC[N@H+](C[C@@H](F)CC)CC2)CCC1 ZINC001197077548 811397391 /nfs/dbraw/zinc/39/73/91/811397391.db2.gz URTLDUNIEYVEFS-HNNXBMFYSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[N@H+](CCCCCC)CC2)C1 ZINC001197103018 811399105 /nfs/dbraw/zinc/39/91/05/811399105.db2.gz YLUHOOHSZPDAPJ-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C[C@H](C)C2CC2)CC1 ZINC001198274968 811489943 /nfs/dbraw/zinc/48/99/43/811489943.db2.gz WDCACDKPUWWSAA-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001198354900 811494187 /nfs/dbraw/zinc/49/41/87/811494187.db2.gz TXQTXLJLUQSRNX-ZIAGYGMSSA-N 1 1 282.428 3.045 20 30 CGEDMO C=CCCC[N@H+](CC)CC(=O)Nc1ccc(C)cc1 ZINC001198457928 811505831 /nfs/dbraw/zinc/50/58/31/811505831.db2.gz OHHFYCPNHWDXOO-UHFFFAOYSA-N 1 1 260.381 3.222 20 30 CGEDMO CCCCCCCCCNC(=S)N1CC[N@H+]2CC[C@H]2C1 ZINC001200377338 811683988 /nfs/dbraw/zinc/68/39/88/811683988.db2.gz UCPUETJPPCMYLU-HNNXBMFYSA-N 1 1 297.512 3.001 20 30 CGEDMO CCCCCCCCCNC(=S)N1CC[N@H+](C)[C@H](C)C1 ZINC001200376246 811684304 /nfs/dbraw/zinc/68/43/04/811684304.db2.gz WLRPWPXWPQVHGR-OAHLLOKOSA-N 1 1 299.528 3.247 20 30 CGEDMO CCCCCCCCCNC(=S)N1CC[N@@H+](C)[C@H](C)C1 ZINC001200376246 811684310 /nfs/dbraw/zinc/68/43/10/811684310.db2.gz WLRPWPXWPQVHGR-OAHLLOKOSA-N 1 1 299.528 3.247 20 30 CGEDMO C=CCN1C(=O)CC[C@@]12CCC[N@H+](CC(C)(C)C)CC2 ZINC001201435723 811844325 /nfs/dbraw/zinc/84/43/25/811844325.db2.gz NTCQWTJAYNLURX-QGZVFWFLSA-N 1 1 278.440 3.066 20 30 CGEDMO CC(C)(C)C[N@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001201443285 811850447 /nfs/dbraw/zinc/85/04/47/811850447.db2.gz RCXTZWSLUKNXNO-MRXNPFEDSA-N 1 1 272.392 3.448 20 30 CGEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](C[C@@H](C)CCC)CCO2 ZINC001201544006 811895636 /nfs/dbraw/zinc/89/56/36/811895636.db2.gz MGHQGPCOYNMAHM-OKZBNKHCSA-N 1 1 295.467 3.496 20 30 CGEDMO N#Cc1ccc2c(c1)CC[N@H+](CCc1ccccc1)C2 ZINC001201595115 811917290 /nfs/dbraw/zinc/91/72/90/811917290.db2.gz LOKHKKWHDAGHPM-UHFFFAOYSA-N 1 1 262.356 3.159 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](CCC(C)C)CC2 ZINC001201618527 811921673 /nfs/dbraw/zinc/92/16/73/811921673.db2.gz ZJELYNZROKKWOP-KRWDZBQOSA-N 1 1 278.440 3.066 20 30 CGEDMO CCCCCCCCCC[N@H+]1CCOC[C@](C)(O)C1 ZINC001201852583 811972022 /nfs/dbraw/zinc/97/20/22/811972022.db2.gz DIXLSIXMSLRSBV-MRXNPFEDSA-N 1 1 271.445 3.210 20 30 CGEDMO CCCCCCCCCC[N@H+]1CC[C@@]2(CCNC2=O)C1 ZINC001201852679 811972049 /nfs/dbraw/zinc/97/20/49/811972049.db2.gz HCQNVFOUISYIET-KRWDZBQOSA-N 1 1 280.456 3.339 20 30 CGEDMO CCCCCCCCCC[N@@H+]1CCC(=O)N(C)CC1 ZINC001201875148 811974384 /nfs/dbraw/zinc/97/43/84/811974384.db2.gz QZMPZRWXTMRPKK-UHFFFAOYSA-N 1 1 268.445 3.291 20 30 CGEDMO CCCCCCCCCC[N@H+]1CC[C@@H](NC(C)=O)C1 ZINC001201874788 811974519 /nfs/dbraw/zinc/97/45/19/811974519.db2.gz GHTRGZIFPQLMFI-MRXNPFEDSA-N 1 1 268.445 3.338 20 30 CGEDMO N#Cc1cccc(O[C@H]2CCC[N@H+](CCC(F)(F)F)C2)c1 ZINC001202352156 812071077 /nfs/dbraw/zinc/07/10/77/812071077.db2.gz BEEVHWDBXIXWKO-AWEZNQCLSA-N 1 1 298.308 3.354 20 30 CGEDMO N#CCC[N@H+](CCC1CCOCC1)Cc1ccccc1 ZINC001202611613 812135493 /nfs/dbraw/zinc/13/54/93/812135493.db2.gz WHAHIVOCJYLVCJ-UHFFFAOYSA-N 1 1 272.392 3.219 20 30 CGEDMO N#CCC[N@@H+](CCC1CCOCC1)Cc1ccccc1 ZINC001202611613 812135495 /nfs/dbraw/zinc/13/54/95/812135495.db2.gz WHAHIVOCJYLVCJ-UHFFFAOYSA-N 1 1 272.392 3.219 20 30 CGEDMO C[C@@H]1C(=O)CC[N@H+](Cc2cccc(C#N)c2)C12CCCC2 ZINC001203765025 812458673 /nfs/dbraw/zinc/45/86/73/812458673.db2.gz TVVMTMARYJJWSY-CQSZACIVSA-N 1 1 282.387 3.282 20 30 CGEDMO C[C@@H]1C(=O)CC[N@@H+](Cc2cccc(C#N)c2)C12CCCC2 ZINC001203765025 812458678 /nfs/dbraw/zinc/45/86/78/812458678.db2.gz TVVMTMARYJJWSY-CQSZACIVSA-N 1 1 282.387 3.282 20 30 CGEDMO C=CC[N@H+](Cc1cc(OC)c(OC)c(OC)c1)C(C)(C)C ZINC001203849931 812473187 /nfs/dbraw/zinc/47/31/87/812473187.db2.gz JHZFXWDAGCXPAG-UHFFFAOYSA-N 1 1 293.407 3.499 20 30 CGEDMO CC(=O)Nc1ccc(C[N@@H+](CCC#N)C2CCCC2)cc1 ZINC001203928087 812494725 /nfs/dbraw/zinc/49/47/25/812494725.db2.gz WAQRLNLJDYMKLC-UHFFFAOYSA-N 1 1 285.391 3.303 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)CC1 ZINC001204223141 812577739 /nfs/dbraw/zinc/57/77/39/812577739.db2.gz SDLNRUCQRAWVSA-LLVKDONJSA-N 1 1 250.292 3.090 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)CC1 ZINC001204223141 812577742 /nfs/dbraw/zinc/57/77/42/812577742.db2.gz SDLNRUCQRAWVSA-LLVKDONJSA-N 1 1 250.292 3.090 20 30 CGEDMO Cc1[nH]c2ccccc2c1C[N@@H+]1CCC[C@H](C#N)C1 ZINC001204294267 812603532 /nfs/dbraw/zinc/60/35/32/812603532.db2.gz MIWDNEUMLPMQKG-CYBMUJFWSA-N 1 1 253.349 3.212 20 30 CGEDMO Cc1[nH]c2ccccc2c1C[N@H+]1CCC[C@H](C#N)C1 ZINC001204294267 812603539 /nfs/dbraw/zinc/60/35/39/812603539.db2.gz MIWDNEUMLPMQKG-CYBMUJFWSA-N 1 1 253.349 3.212 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)Cc2cncs2)cc1 ZINC001204302786 812605451 /nfs/dbraw/zinc/60/54/51/812605451.db2.gz TUOWFTWYKMPUGJ-UHFFFAOYSA-N 1 1 274.389 3.340 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)Cc2cncs2)cc1 ZINC001204302786 812605454 /nfs/dbraw/zinc/60/54/54/812605454.db2.gz TUOWFTWYKMPUGJ-UHFFFAOYSA-N 1 1 274.389 3.340 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cn(C)c3ccccc23)C1 ZINC001204319885 812611527 /nfs/dbraw/zinc/61/15/27/812611527.db2.gz CHNDVYJTLIKNAP-AWEZNQCLSA-N 1 1 252.361 3.024 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CC[C@H]1COCc1ccccc1 ZINC001204369948 812623419 /nfs/dbraw/zinc/62/34/19/812623419.db2.gz JTVSSTRMFUBCQE-IBGZPJMESA-N 1 1 292.382 3.349 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CC[C@H]1COCc1ccccc1 ZINC001204369948 812623422 /nfs/dbraw/zinc/62/34/22/812623422.db2.gz JTVSSTRMFUBCQE-IBGZPJMESA-N 1 1 292.382 3.349 20 30 CGEDMO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(F)c1 ZINC001204934242 812783758 /nfs/dbraw/zinc/78/37/58/812783758.db2.gz YBCQNOWFPLDDFT-DEZZGGKRSA-N 1 1 274.339 3.101 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)C[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001205161305 812892953 /nfs/dbraw/zinc/89/29/53/812892953.db2.gz AMZJFUOOKZPACG-XJKSGUPXSA-N 1 1 287.432 3.273 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC)C1 ZINC001205745722 813065693 /nfs/dbraw/zinc/06/56/93/813065693.db2.gz NMTBUCVWNUCVBC-HUUCEWRRSA-N 1 1 268.445 3.193 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)/C=C(\C)C2CC2)C1 ZINC001206328151 813291493 /nfs/dbraw/zinc/29/14/93/813291493.db2.gz SBQCLMGMYPAJFJ-CZIVKBJPSA-N 1 1 290.451 3.134 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)/C(C)=C/CC)C1 ZINC001206350111 813300838 /nfs/dbraw/zinc/30/08/38/813300838.db2.gz IYHJCJUWUCXQNE-BFLXNZELSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)CC(C)C)C[C@H]1C ZINC001206537023 813342961 /nfs/dbraw/zinc/34/29/61/813342961.db2.gz IDXQBMNWRMHYJL-ARFHVFGLSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCCSCC[NH2+]Cc1cc(F)c(F)cc1O ZINC001206589601 813365399 /nfs/dbraw/zinc/36/53/99/813365399.db2.gz HJMNMGXPLFOEIK-UHFFFAOYSA-N 1 1 273.348 3.069 20 30 CGEDMO C=C(C)[C@@H]1CC[C@H](C)C[C@H]1OCCCN1CC[NH+](C)CC1 ZINC001206594933 813368291 /nfs/dbraw/zinc/36/82/91/813368291.db2.gz CUUIUAVZOMCLNO-OKZBNKHCSA-N 1 1 294.483 3.021 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccnc(OC)c2F)C1 ZINC001206597257 813368983 /nfs/dbraw/zinc/36/89/83/813368983.db2.gz FSFMWHCRQWQULM-GFCCVEGCSA-N 1 1 264.344 3.017 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1Nc1cnc(C#N)c(Cl)c1 ZINC001206729901 813409568 /nfs/dbraw/zinc/40/95/68/813409568.db2.gz URONSQFFOPMPAZ-UHFFFAOYSA-N 1 1 287.754 3.120 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1Nc1cccc(C#N)c1 ZINC001206737043 813414283 /nfs/dbraw/zinc/41/42/83/813414283.db2.gz MYLWJAIEKKFRJJ-UHFFFAOYSA-N 1 1 252.321 3.071 20 30 CGEDMO Cc1ccc(Nc2c[nH+]c(N(C)C)cc2C)cc1C#N ZINC001206743566 813416927 /nfs/dbraw/zinc/41/69/27/813416927.db2.gz NEMPTHVYMIOBGT-UHFFFAOYSA-N 1 1 266.348 3.380 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1Nc1ccc(F)cc1C#N ZINC001206748638 813418634 /nfs/dbraw/zinc/41/86/34/813418634.db2.gz MSXOPNUPIDUGKY-UHFFFAOYSA-N 1 1 270.311 3.210 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC2CCC2)C1 ZINC001206833410 813448568 /nfs/dbraw/zinc/44/85/68/813448568.db2.gz MUTHCKWZQJVJOC-HLLBOEOZSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCN(CC[N@@H+]1CCCC[C@H]1C)C(=O)OC(C)(C)C ZINC001207199947 813515857 /nfs/dbraw/zinc/51/58/57/813515857.db2.gz WBFZJFKSRPKITO-CQSZACIVSA-N 1 1 282.428 3.284 20 30 CGEDMO C=CCCCCCCCCC[N@@H+]1CC[C@](C)(CO)[C@@H](O)C1 ZINC001207899370 813667051 /nfs/dbraw/zinc/66/70/51/813667051.db2.gz XCKYZFRSVLPPLG-ZWKOTPCHSA-N 1 1 297.483 3.358 20 30 CGEDMO C=CCCCCCCCCC[N@@H+]1CC[C@@](C)(CO)[C@H](O)C1 ZINC001207899367 813667812 /nfs/dbraw/zinc/66/78/12/813667812.db2.gz XCKYZFRSVLPPLG-MSOLQXFVSA-N 1 1 297.483 3.358 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H](C)N(C)C[C@H]2C)CC1 ZINC001208171678 813726081 /nfs/dbraw/zinc/72/60/81/813726081.db2.gz WYBXFLOEILKKRN-ZMSDIMECSA-N 1 1 262.441 3.313 20 30 CGEDMO C=C(C)[C@@H]1CC=C(CN2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC001208171678 813726083 /nfs/dbraw/zinc/72/60/83/813726083.db2.gz WYBXFLOEILKKRN-ZMSDIMECSA-N 1 1 262.441 3.313 20 30 CGEDMO C=C(C)[C@@H]1CC=C(CN2C[C@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC001208171678 813726087 /nfs/dbraw/zinc/72/60/87/813726087.db2.gz WYBXFLOEILKKRN-ZMSDIMECSA-N 1 1 262.441 3.313 20 30 CGEDMO C=C(C)[C@@H]1CC=C(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC001208178187 813728736 /nfs/dbraw/zinc/72/87/36/813728736.db2.gz MUGSSHGBBWGYMF-ZACQAIPSSA-N 1 1 260.425 3.067 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C)CC1 ZINC001208178187 813728740 /nfs/dbraw/zinc/72/87/40/813728740.db2.gz MUGSSHGBBWGYMF-ZACQAIPSSA-N 1 1 260.425 3.067 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C)CC1 ZINC001208178187 813728745 /nfs/dbraw/zinc/72/87/45/813728745.db2.gz MUGSSHGBBWGYMF-ZACQAIPSSA-N 1 1 260.425 3.067 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@H](N(C)C3CC3)C2)CC1 ZINC001208178230 813729042 /nfs/dbraw/zinc/72/90/42/813729042.db2.gz OGYRUVWDHGXHKR-SJLPKXTDSA-N 1 1 274.452 3.458 20 30 CGEDMO C=C(C)[C@@H]1CC=C(CN2CC[C@@H]([N@H+](C)C3CC3)C2)CC1 ZINC001208178230 813729048 /nfs/dbraw/zinc/72/90/48/813729048.db2.gz OGYRUVWDHGXHKR-SJLPKXTDSA-N 1 1 274.452 3.458 20 30 CGEDMO C=C(C)[C@@H]1CC=C(CN2CC[C@@H]([N@@H+](C)C3CC3)C2)CC1 ZINC001208178230 813729053 /nfs/dbraw/zinc/72/90/53/813729053.db2.gz OGYRUVWDHGXHKR-SJLPKXTDSA-N 1 1 274.452 3.458 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+](C)[C@H](C(=O)OC)C(C)C)CC1 ZINC001208178595 813729315 /nfs/dbraw/zinc/72/93/15/813729315.db2.gz SKYPLKPYRIGZJG-CVEARBPZSA-N 1 1 279.424 3.418 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCCCC)C[C@H]1C ZINC001208390772 813758610 /nfs/dbraw/zinc/75/86/10/813758610.db2.gz CWXFALCKZZJETG-ARFHVFGLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CCCCCF)C[C@H]1C ZINC001208511809 813765008 /nfs/dbraw/zinc/76/50/08/813765008.db2.gz KRODWAKVDMKFLA-BFYDXBDKSA-N 1 1 298.446 3.165 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2C[N@@H+](CCC(C)C)C[C@H]2C)CCC1 ZINC001208507312 813765273 /nfs/dbraw/zinc/76/52/73/813765273.db2.gz QUPABYQTSNGAGN-HZPDHXFCSA-N 1 1 292.467 3.215 20 30 CGEDMO N#Cc1cccc(CCC[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)c1 ZINC001208852286 813867692 /nfs/dbraw/zinc/86/76/92/813867692.db2.gz YNOQRDKDESFEBF-CABCVRRESA-N 1 1 276.330 3.078 20 30 CGEDMO C[C@@H](C[N@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1)C(F)(F)F ZINC001208887654 813882764 /nfs/dbraw/zinc/88/27/64/813882764.db2.gz OAONVTRBPOZYFR-XLPZGREQSA-N 1 1 281.215 3.265 20 30 CGEDMO N#CC1CCN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208932877 813904401 /nfs/dbraw/zinc/90/44/01/813904401.db2.gz RSTBNEXZYGRPHR-LJQANCHMSA-N 1 1 297.446 3.134 20 30 CGEDMO N#CC1CC[NH+](C[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001208932877 813904415 /nfs/dbraw/zinc/90/44/15/813904415.db2.gz RSTBNEXZYGRPHR-LJQANCHMSA-N 1 1 297.446 3.134 20 30 CGEDMO C=CC[N@H+](C[C@@H]1CCCN(C(C)=O)C1)C1CCCCC1 ZINC001208973105 813911047 /nfs/dbraw/zinc/91/10/47/813911047.db2.gz HBIHXOKBSKFXBR-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@H+](CC)C[C@H]1CC[C@H](C(=O)OCC)CC1 ZINC001209003097 813916219 /nfs/dbraw/zinc/91/62/19/813916219.db2.gz GROKKGCIQROAPM-SHTZXODSSA-N 1 1 267.413 3.254 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CCC)C(C)C)C1 ZINC001209039204 813920504 /nfs/dbraw/zinc/92/05/04/813920504.db2.gz UOTGLFZTNDXMAZ-IXDOHACOSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001209157245 813949454 /nfs/dbraw/zinc/94/94/54/813949454.db2.gz QAYHHBMVADESCW-AWEZNQCLSA-N 1 1 282.428 3.284 20 30 CGEDMO C=CCCC[N@H+](C[C@H](O)c1ccccc1OC)C(C)C ZINC001209161706 813953151 /nfs/dbraw/zinc/95/31/51/813953151.db2.gz BOVSJTVNMPKBSG-INIZCTEOSA-N 1 1 277.408 3.405 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](Oc2ncccc2C)C1 ZINC001209164410 813955474 /nfs/dbraw/zinc/95/54/74/813955474.db2.gz YAQFSXAVZPQBJV-HNNXBMFYSA-N 1 1 260.381 3.199 20 30 CGEDMO C=CCCCC[N@H+]1CC[C@@H]2OCCC[C@@]2(COCC=C)C1 ZINC001209200084 813964642 /nfs/dbraw/zinc/96/46/42/813964642.db2.gz GEZLJZMSTJIZKQ-ROUUACIJSA-N 1 1 293.451 3.416 20 30 CGEDMO C=CCCCC[N@H+]1CC[C@H]2[C@H]1CC(=O)N2c1ccsc1 ZINC001209203726 813966988 /nfs/dbraw/zinc/96/69/88/813966988.db2.gz UYKDYPIASOHUHS-LSDHHAIUSA-N 1 1 290.432 3.284 20 30 CGEDMO C#CCCC[N@@H+](Cc1ccccc1)Cc1ccccn1 ZINC001209260740 813985820 /nfs/dbraw/zinc/98/58/20/813985820.db2.gz DWFXKSQYBVNJBI-UHFFFAOYSA-N 1 1 264.372 3.497 20 30 CGEDMO C#CCCC[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)CC[C@@H]1C ZINC001209262624 813987523 /nfs/dbraw/zinc/98/75/23/813987523.db2.gz XHZQINMROVUPPI-LSDHHAIUSA-N 1 1 294.439 3.025 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@@H](Oc2ccccc2C)C1 ZINC001209265750 813988137 /nfs/dbraw/zinc/98/81/37/813988137.db2.gz HNZZRWZFIXFRSC-MRXNPFEDSA-N 1 1 257.377 3.252 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@]2(C[C@H](OCC)CO2)C1 ZINC001209424745 814026472 /nfs/dbraw/zinc/02/64/72/814026472.db2.gz TVZWUEDSBXFGOR-DLBZAZTESA-N 1 1 281.440 3.393 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@]2(CCCN2C(=O)C(C)C)C1 ZINC001209427151 814028598 /nfs/dbraw/zinc/02/85/98/814028598.db2.gz GVJLKEQQKXWOQO-GOSISDBHSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCCCCC[N@@H+]1CCCC[C@H]1C(=O)OC ZINC001209431954 814032299 /nfs/dbraw/zinc/03/22/99/814032299.db2.gz WWFFLXIFUYQJCV-AWEZNQCLSA-N 1 1 253.386 3.150 20 30 CGEDMO C=CCCCCCC[N@@H+]1CCC[C@]2(CCN(CC)C2=O)C1 ZINC001209437164 814037105 /nfs/dbraw/zinc/03/71/05/814037105.db2.gz HHKKFEUCXIZCGY-SFHVURJKSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCCCCCC[N@H+](C)C1CCN(C(C)=O)CC1 ZINC001209435771 814037129 /nfs/dbraw/zinc/03/71/29/814037129.db2.gz JFUGKUIJTJVQBF-UHFFFAOYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCCCCCC[N@@H+]1CCC[C@@]2(CCN(CC)C2=O)C1 ZINC001209437162 814037412 /nfs/dbraw/zinc/03/74/12/814037412.db2.gz HHKKFEUCXIZCGY-GOSISDBHSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCCCCCCC[N@@H+]1C[C@H]2CN(CC)C[C@H]2C1 ZINC001209442002 814040328 /nfs/dbraw/zinc/04/03/28/814040328.db2.gz MUNGYXUEVQOWCV-CALCHBBNSA-N 1 1 264.457 3.397 20 30 CGEDMO C=CCCCCCCC[N@H+]1C[C@H]2CN(CC)C[C@H]2C1 ZINC001209442002 814040337 /nfs/dbraw/zinc/04/03/37/814040337.db2.gz MUNGYXUEVQOWCV-CALCHBBNSA-N 1 1 264.457 3.397 20 30 CGEDMO C=CCCCCCC[N@H+](C)[C@H]1CCC2(C1)OCCO2 ZINC001209441201 814040813 /nfs/dbraw/zinc/04/08/13/814040813.db2.gz VCYIJDBXDWICRR-HNNXBMFYSA-N 1 1 267.413 3.350 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CCOC[C@@H]1CC(=O)OC ZINC001209445122 814046205 /nfs/dbraw/zinc/04/62/05/814046205.db2.gz FROUWFRWTFNFRW-INIZCTEOSA-N 1 1 297.439 3.167 20 30 CGEDMO N#Cc1ccccc1O[C@@H]1CCC[N@H+](Cc2cncs2)C1 ZINC001209550010 814080415 /nfs/dbraw/zinc/08/04/15/814080415.db2.gz ZBANLFORFCJWFW-CQSZACIVSA-N 1 1 299.399 3.058 20 30 CGEDMO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2cncs2)C1 ZINC001209550010 814080423 /nfs/dbraw/zinc/08/04/23/814080423.db2.gz ZBANLFORFCJWFW-CQSZACIVSA-N 1 1 299.399 3.058 20 30 CGEDMO C[C@H]1CC(=O)C=C(c2ccc(F)c(C[NH+](C)C)c2)C1 ZINC001242743326 823119399 /nfs/dbraw/zinc/11/93/99/823119399.db2.gz PWBCEYHLEYDRSV-LLVKDONJSA-N 1 1 261.340 3.270 20 30 CGEDMO N#Cc1cc(Cl)cc(-n2c[nH+]c3cccc(N)c32)c1 ZINC001210538127 814515086 /nfs/dbraw/zinc/51/50/86/814515086.db2.gz UDCGZDBMGXKSJI-UHFFFAOYSA-N 1 1 268.707 3.133 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CCCC)C(C)C)C1 ZINC001211389223 814888521 /nfs/dbraw/zinc/88/85/21/814888521.db2.gz NOZYJIXYOCQPJF-IXDOHACOSA-N 1 1 294.483 3.461 20 30 CGEDMO N#Cc1c(Cl)cccc1-n1c[nH+]c2cccc(N)c21 ZINC001216127934 815708754 /nfs/dbraw/zinc/70/87/54/815708754.db2.gz RPVIRTMQGPAZGK-UHFFFAOYSA-N 1 1 268.707 3.133 20 30 CGEDMO COc1cc([NH+]=C(NO)c2ccccc2N)ccc1C1CC1 ZINC001216254182 815756497 /nfs/dbraw/zinc/75/64/97/815756497.db2.gz YWKKBVLBZBMEPM-UHFFFAOYSA-N 1 1 297.358 3.212 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nnc(-c2ccc(C)c(C)c2)o1 ZINC001217757611 815954959 /nfs/dbraw/zinc/95/49/59/815954959.db2.gz PIXVOXCXMLICGI-AWEZNQCLSA-N 1 1 269.348 3.157 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)/C(C)=C/CC)[C@@H]2C1 ZINC001221370926 816311739 /nfs/dbraw/zinc/31/17/39/816311739.db2.gz AXGLWCQNQILHDW-MXZWTXISSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)CCCCC)[C@@H]2C1 ZINC001221853679 816330738 /nfs/dbraw/zinc/33/07/38/816330738.db2.gz RRLFAHXQAYRHIR-GVDBMIGSSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](F)CCCCCC)[C@@H]2C1 ZINC001221949970 816336035 /nfs/dbraw/zinc/33/60/35/816336035.db2.gz PMPOZGFUJDLRPQ-BZUAXINKSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)C(CC)CC)CC1 ZINC001222430707 816443566 /nfs/dbraw/zinc/44/35/66/816443566.db2.gz FAJUKXRDLNXNEB-UHFFFAOYSA-N 1 1 286.847 3.003 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3(CCC)CCC3)C[C@@H]21 ZINC001223315068 816603073 /nfs/dbraw/zinc/60/30/73/816603073.db2.gz KNLADBKNPOOVPW-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCC(C)(C)C)C[C@@H]21 ZINC001223721024 816671844 /nfs/dbraw/zinc/67/18/44/816671844.db2.gz CXVGSVMOOVPTHF-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)C(C)(C)CC)CC1 ZINC001224283496 816767573 /nfs/dbraw/zinc/76/75/73/816767573.db2.gz KNBFPGYICUOKRB-UHFFFAOYSA-N 1 1 286.847 3.003 20 30 CGEDMO C=CCCCO[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001224511121 816816776 /nfs/dbraw/zinc/81/67/76/816816776.db2.gz JQLKAYYGMYHWSP-KRWDZBQOSA-N 1 1 270.376 3.115 20 30 CGEDMO CCCCCO[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001224659096 816843735 /nfs/dbraw/zinc/84/37/35/816843735.db2.gz ATODOENMSBPIEJ-QGZVFWFLSA-N 1 1 272.392 3.339 20 30 CGEDMO C[N@H+]1CCCC[C@H]1CO[C@H](CC#N)c1ccccc1 ZINC001224704696 816860545 /nfs/dbraw/zinc/86/05/45/816860545.db2.gz CCSOQUCQQQFXCL-JKSUJKDBSA-N 1 1 258.365 3.142 20 30 CGEDMO C[C@H](c1ccccn1)[N@H+]1CCC[C@@H](OCC#CC2CC2)C1 ZINC001224849315 816893012 /nfs/dbraw/zinc/89/30/12/816893012.db2.gz BJXJLPKAQDSHPG-NVXWUHKLSA-N 1 1 284.403 3.037 20 30 CGEDMO N#CC1(CO[C@H]2CCC[N@H+](Cc3ccccc3F)C2)CC1 ZINC001224948533 816915908 /nfs/dbraw/zinc/91/59/08/816915908.db2.gz PXZDIXVBFXYGBD-HNNXBMFYSA-N 1 1 288.366 3.110 20 30 CGEDMO Cc1c(C)c(O[C@@H]2CCC[N@H+](C(C)C)C2)ccc1C#N ZINC001225512884 817079906 /nfs/dbraw/zinc/07/99/06/817079906.db2.gz FWIZUEHFTIVLBE-MRXNPFEDSA-N 1 1 272.392 3.427 20 30 CGEDMO CC[N@H+]1CCC[C@@H](Oc2nc(C(C)(C)C)ccc2C#N)C1 ZINC001226550352 817393918 /nfs/dbraw/zinc/39/39/18/817393918.db2.gz PMVBMMVIKFOJCB-CQSZACIVSA-N 1 1 287.407 3.114 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cc2C#N)C1 ZINC001227000410 817530881 /nfs/dbraw/zinc/53/08/81/817530881.db2.gz GANQXMASYOXEPG-CYBMUJFWSA-N 1 1 298.308 3.439 20 30 CGEDMO CC[N@H+]1CCC[C@@H](Oc2ccc(Cl)cc2C#N)C1 ZINC001227205077 817590771 /nfs/dbraw/zinc/59/07/71/817590771.db2.gz CGBBXOFAJIYGBR-CYBMUJFWSA-N 1 1 264.756 3.075 20 30 CGEDMO CC[N@H+]1CCC[C@@H](Oc2ccc(C#N)c(Cl)c2)C1 ZINC001227208324 817592544 /nfs/dbraw/zinc/59/25/44/817592544.db2.gz HXHSDKFHSIGPOX-CYBMUJFWSA-N 1 1 264.756 3.075 20 30 CGEDMO N#Cc1cccc(F)c1O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001227288411 817618623 /nfs/dbraw/zinc/61/86/23/817618623.db2.gz ADMLRRNCKZOGDQ-MRXNPFEDSA-N 1 1 296.345 3.351 20 30 CGEDMO CC[N@H+]1CCC[C@@H](Oc2ccc(/C=C\C(C)=O)cc2)C1 ZINC001228493961 817921678 /nfs/dbraw/zinc/92/16/78/817921678.db2.gz HGMVPYIZRKWYGM-JTGQJZMRSA-N 1 1 273.376 3.152 20 30 CGEDMO CC(=O)/C=C\c1ccc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001228496805 817922721 /nfs/dbraw/zinc/92/27/21/817922721.db2.gz PCWGXRHWIWBUIJ-OJLQUIGISA-N 1 1 285.387 3.293 20 30 CGEDMO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1CCC1=CCCCC1 ZINC001231168778 818049434 /nfs/dbraw/zinc/04/94/34/818049434.db2.gz AOPBCFJZPKNPDC-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)CC1=CCCCC1 ZINC001231262555 818066961 /nfs/dbraw/zinc/06/69/61/818066961.db2.gz GMSAISOQTOYXFU-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)c1ccccc1F ZINC001231336242 818078521 /nfs/dbraw/zinc/07/85/21/818078521.db2.gz RLIGGEHPMBNTFV-AWEZNQCLSA-N 1 1 292.398 3.232 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](CC)CCCC(=O)OC)c1 ZINC001231620840 818137724 /nfs/dbraw/zinc/13/77/24/818137724.db2.gz FDIFWIORXURAMZ-UHFFFAOYSA-N 1 1 291.391 3.027 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001231617193 818137788 /nfs/dbraw/zinc/13/77/88/818137788.db2.gz PCGGJNJQLHVZLT-GJZGRUSLSA-N 1 1 270.376 3.189 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC(C)(C)C[C@@]2(C)CO)c1 ZINC001231620772 818137834 /nfs/dbraw/zinc/13/78/34/818137834.db2.gz BJJVKPPSVDYHAK-SFHVURJKSA-N 1 1 289.419 3.234 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@@H](CF)C2)c1 ZINC001231623726 818139569 /nfs/dbraw/zinc/13/95/69/818139569.db2.gz RUBXRUOSDDSTDR-HNNXBMFYSA-N 1 1 263.356 3.433 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCC[C@H](C#N)CC2)c1 ZINC001231625598 818140630 /nfs/dbraw/zinc/14/06/30/818140630.db2.gz WYYOBWOXODCQJQ-HNNXBMFYSA-N 1 1 270.376 3.377 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CCC[C@H](Oc3cccnc3)C2)c1 ZINC001231659997 818152222 /nfs/dbraw/zinc/15/22/22/818152222.db2.gz YTQGCDQZABZPKA-IBGZPJMESA-N 1 1 292.382 3.106 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@H](F)CC2)cc1 ZINC001231817320 818184899 /nfs/dbraw/zinc/18/48/99/818184899.db2.gz ZECNCAQTRMJNKF-INIZCTEOSA-N 1 1 289.398 3.360 20 30 CGEDMO Cc1cc(C)c(C[N@H+]2CCC[C@H](CC#N)C2)c(O)c1 ZINC001231846094 818187748 /nfs/dbraw/zinc/18/77/48/818187748.db2.gz GAHPLVBKYKOPTA-CQSZACIVSA-N 1 1 258.365 3.135 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1cnc(OC)cn1 ZINC001231937504 818213682 /nfs/dbraw/zinc/21/36/82/818213682.db2.gz CZLVGTIMYYKJHC-UHFFFAOYSA-N 1 1 283.375 3.064 20 30 CGEDMO C=CCN1CCN(Cc2ccc(C(F)(F)F)cc2C)CC1 ZINC001232003743 818230853 /nfs/dbraw/zinc/23/08/53/818230853.db2.gz FNWFLWKLJIINSF-UHFFFAOYSA-N 1 1 298.352 3.317 20 30 CGEDMO C=CC[NH+]1CCN(Cc2ccc(C(F)(F)F)cc2C)CC1 ZINC001232003743 818230856 /nfs/dbraw/zinc/23/08/56/818230856.db2.gz FNWFLWKLJIINSF-UHFFFAOYSA-N 1 1 298.352 3.317 20 30 CGEDMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)c(C)c1 ZINC001232187051 818271024 /nfs/dbraw/zinc/27/10/24/818271024.db2.gz DDSWPBPFBZYLGX-OAHLLOKOSA-N 1 1 285.391 3.079 20 30 CGEDMO N#Cc1ccccc1O[C@@H]1CCC[N@H+](Cc2ccns2)C1 ZINC001232192704 818273181 /nfs/dbraw/zinc/27/31/81/818273181.db2.gz WOSPJLVREGJCEV-CQSZACIVSA-N 1 1 299.399 3.058 20 30 CGEDMO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccns2)C1 ZINC001232192704 818273184 /nfs/dbraw/zinc/27/31/84/818273184.db2.gz WOSPJLVREGJCEV-CQSZACIVSA-N 1 1 299.399 3.058 20 30 CGEDMO N#Cc1ccc(O[C@H]2CCC[N@H+](Cc3ccns3)C2)cc1 ZINC001232196172 818275227 /nfs/dbraw/zinc/27/52/27/818275227.db2.gz XZEAOWHJJMKICU-HNNXBMFYSA-N 1 1 299.399 3.058 20 30 CGEDMO N#Cc1ccc(O[C@H]2CCC[N@@H+](Cc3ccns3)C2)cc1 ZINC001232196172 818275231 /nfs/dbraw/zinc/27/52/31/818275231.db2.gz XZEAOWHJJMKICU-HNNXBMFYSA-N 1 1 299.399 3.058 20 30 CGEDMO N#Cc1ccnc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC001232478726 818364154 /nfs/dbraw/zinc/36/41/54/818364154.db2.gz KADHQPLZGFKGFX-OAHLLOKOSA-N 1 1 281.334 3.082 20 30 CGEDMO N#Cc1ccnc(C[N@H+]2CCC[C@H](Cc3ccccc3)C2)c1 ZINC001232481105 818364680 /nfs/dbraw/zinc/36/46/80/818364680.db2.gz UVZQVYGCQKJFDN-GOSISDBHSA-N 1 1 291.398 3.408 20 30 CGEDMO N#Cc1ccnc(C[N@@H+](Cc2ccccc2)C2CC2)c1 ZINC001232480498 818365400 /nfs/dbraw/zinc/36/54/00/818365400.db2.gz ZEZOJBBPJRXIPY-UHFFFAOYSA-N 1 1 263.344 3.118 20 30 CGEDMO CCCCCCC[N@H+](CC)Cc1c(OC)ncnc1OC ZINC001232516003 818377169 /nfs/dbraw/zinc/37/71/69/818377169.db2.gz NGYSLTBYSSGUDP-UHFFFAOYSA-N 1 1 295.427 3.286 20 30 CGEDMO CCCCCCC[N@@H+](CC)Cc1c(OC)ncnc1OC ZINC001232516003 818377178 /nfs/dbraw/zinc/37/71/78/818377178.db2.gz NGYSLTBYSSGUDP-UHFFFAOYSA-N 1 1 295.427 3.286 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1C[C@@H]2CCCC(=O)[C@@H]2C1 ZINC001232608871 818394922 /nfs/dbraw/zinc/39/49/22/818394922.db2.gz XYGPGOAEIDRURJ-SWLSCSKDSA-N 1 1 288.778 3.013 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1C[C@@H]2CCCC(=O)[C@@H]2C1 ZINC001232608871 818394928 /nfs/dbraw/zinc/39/49/28/818394928.db2.gz XYGPGOAEIDRURJ-SWLSCSKDSA-N 1 1 288.778 3.013 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3cccc4c3CCCC4)CC[C@H]2S1 ZINC001232635065 818406695 /nfs/dbraw/zinc/40/66/95/818406695.db2.gz DLJFHLCWMLOGJT-QGZVFWFLSA-N 1 1 299.439 3.340 20 30 CGEDMO O=C1C=C2C[N@@H+](Cc3cccc4c3CCCC4)CCC2S1 ZINC001232635065 818406699 /nfs/dbraw/zinc/40/66/99/818406699.db2.gz DLJFHLCWMLOGJT-QGZVFWFLSA-N 1 1 299.439 3.340 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3cccc4c3CCCC4)CCC2S1 ZINC001232635065 818406701 /nfs/dbraw/zinc/40/67/01/818406701.db2.gz DLJFHLCWMLOGJT-QGZVFWFLSA-N 1 1 299.439 3.340 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cncc2cnccc21 ZINC001232652976 818412325 /nfs/dbraw/zinc/41/23/25/818412325.db2.gz PMCVKMKJPYTEPH-UHFFFAOYSA-N 1 1 255.365 3.418 20 30 CGEDMO C[N@@H+](Cc1ccccc1F)Cc1cc(C#N)ccc1[O-] ZINC001232679219 818416987 /nfs/dbraw/zinc/41/69/87/818416987.db2.gz HDDODRWCBHCIPA-UHFFFAOYSA-N 1 1 270.307 3.035 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)s1 ZINC001232841983 818453237 /nfs/dbraw/zinc/45/32/37/818453237.db2.gz GUUCLUNLMKQUPW-LDYMZIIASA-N 1 1 292.301 3.200 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)s1 ZINC001232841983 818453244 /nfs/dbraw/zinc/45/32/44/818453244.db2.gz GUUCLUNLMKQUPW-LDYMZIIASA-N 1 1 292.301 3.200 20 30 CGEDMO Cc1cc(O)cc(C[N@H+](CCC#N)C2CCCC2)c1 ZINC001232879672 818462052 /nfs/dbraw/zinc/46/20/52/818462052.db2.gz CLNOQACCHZJNTB-UHFFFAOYSA-N 1 1 258.365 3.359 20 30 CGEDMO Cc1cc(O)cc(C[N@@H+](CCC#N)C2CCCC2)c1 ZINC001232879672 818462054 /nfs/dbraw/zinc/46/20/54/818462054.db2.gz CLNOQACCHZJNTB-UHFFFAOYSA-N 1 1 258.365 3.359 20 30 CGEDMO N#Cc1ccc(F)cc1C[NH+]1CCC2(CC(F)C2)CC1 ZINC001232889204 818464902 /nfs/dbraw/zinc/46/49/02/818464902.db2.gz DOGYDQIAVQRBEY-UHFFFAOYSA-N 1 1 276.330 3.411 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H]1Cc1ccccn1 ZINC001232891576 818466836 /nfs/dbraw/zinc/46/68/36/818466836.db2.gz KFEMTAVMEXNEGX-SFHVURJKSA-N 1 1 295.361 3.299 20 30 CGEDMO C=CC[N@@H+](Cc1cc(Cl)ncc1O)C(C)(C)C ZINC001233038109 818507871 /nfs/dbraw/zinc/50/78/71/818507871.db2.gz OEEPYDZLVMTVRI-UHFFFAOYSA-N 1 1 254.761 3.227 20 30 CGEDMO Cc1ccc(C[N@H+](C(C)C)C2CCOCC2)c(C#N)c1 ZINC001232969338 818485976 /nfs/dbraw/zinc/48/59/76/818485976.db2.gz PTKZOXHJAUWNKG-UHFFFAOYSA-N 1 1 272.392 3.256 20 30 CGEDMO N#Cc1cc[nH]c1C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001233046962 818507355 /nfs/dbraw/zinc/50/73/55/818507355.db2.gz AWLSGMUVOPTIQB-UHFFFAOYSA-N 1 1 290.370 3.138 20 30 CGEDMO N#Cc1cc[nH]c1C[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC001233043964 818507464 /nfs/dbraw/zinc/50/74/64/818507464.db2.gz JDLUSLKDOZFNDN-MRXNPFEDSA-N 1 1 279.387 3.341 20 30 CGEDMO N#Cc1cc[nH]c1C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC001233044319 818508223 /nfs/dbraw/zinc/50/82/23/818508223.db2.gz MQZDDHHMDNZXHQ-INIZCTEOSA-N 1 1 251.333 3.223 20 30 CGEDMO N#Cc1cc[nH]c1C[N@H+]1CCC[C@H]1c1ccccc1 ZINC001233044319 818508231 /nfs/dbraw/zinc/50/82/31/818508231.db2.gz MQZDDHHMDNZXHQ-INIZCTEOSA-N 1 1 251.333 3.223 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@](C)(F)[C@@H](F)C1 ZINC001233080731 818519437 /nfs/dbraw/zinc/51/94/37/818519437.db2.gz VIYRNXSDEUENJL-LSDHHAIUSA-N 1 1 264.319 3.139 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@](C)(F)[C@@H](F)C1 ZINC001233080731 818519443 /nfs/dbraw/zinc/51/94/43/818519443.db2.gz VIYRNXSDEUENJL-LSDHHAIUSA-N 1 1 264.319 3.139 20 30 CGEDMO Cc1cnc2c(c1)C[N@@H+](Cc1ccc(C#N)cc1C)CC2 ZINC001233083515 818520857 /nfs/dbraw/zinc/52/08/57/818520857.db2.gz OEMMIQGXTMVFCN-UHFFFAOYSA-N 1 1 277.371 3.128 20 30 CGEDMO Cc1cnc2c(c1)C[N@H+](Cc1ccc(C#N)cc1C)CC2 ZINC001233083515 818520865 /nfs/dbraw/zinc/52/08/65/818520865.db2.gz OEMMIQGXTMVFCN-UHFFFAOYSA-N 1 1 277.371 3.128 20 30 CGEDMO C#CC[NH+](CC#C)Cc1ccc(Br)c(C)c1C ZINC001233222530 818544031 /nfs/dbraw/zinc/54/40/31/818544031.db2.gz SINYNHVSIRYHPV-UHFFFAOYSA-N 1 1 290.204 3.134 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1cccc(OCOC)c1 ZINC001233281389 818564245 /nfs/dbraw/zinc/56/42/45/818564245.db2.gz YZBXXGPATWUGNE-UHFFFAOYSA-N 1 1 276.380 3.185 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1cccc(OCOC)c1 ZINC001233281389 818564251 /nfs/dbraw/zinc/56/42/51/818564251.db2.gz YZBXXGPATWUGNE-UHFFFAOYSA-N 1 1 276.380 3.185 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCCC3(CCCC3)C2)c(O)c1 ZINC001233384249 818606095 /nfs/dbraw/zinc/60/60/95/818606095.db2.gz NYCDWABFZGERRG-UHFFFAOYSA-N 1 1 270.376 3.420 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCC3(CCCC3)C2)c(O)c1 ZINC001233384249 818606097 /nfs/dbraw/zinc/60/60/97/818606097.db2.gz NYCDWABFZGERRG-UHFFFAOYSA-N 1 1 270.376 3.420 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]3CCC[C@H]32)c([O-])c1 ZINC001233386767 818606271 /nfs/dbraw/zinc/60/62/71/818606271.db2.gz IDFMHYMQCIXBEY-UKRRQHHQSA-N 1 1 256.349 3.028 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)c(O)c1 ZINC001233386767 818606274 /nfs/dbraw/zinc/60/62/74/818606274.db2.gz IDFMHYMQCIXBEY-UKRRQHHQSA-N 1 1 256.349 3.028 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]3CCC[C@H]32)c(O)c1 ZINC001233386767 818606277 /nfs/dbraw/zinc/60/62/77/818606277.db2.gz IDFMHYMQCIXBEY-UKRRQHHQSA-N 1 1 256.349 3.028 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)/C=C/C1CC1 ZINC001233498066 818627830 /nfs/dbraw/zinc/62/78/30/818627830.db2.gz APOLEZPALTXLSD-DVQDXYAYSA-N 1 1 292.467 3.456 20 30 CGEDMO C#CCCCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(CC)CC ZINC001233771974 818701195 /nfs/dbraw/zinc/70/11/95/818701195.db2.gz VVXHVUZYTWGXPM-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1C[C@@H](C)CC(C)C ZINC001233948461 818737707 /nfs/dbraw/zinc/73/77/07/818737707.db2.gz WHJIYCOFGYBVOG-DLBZAZTESA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)CCCNC(=O)CCCCC ZINC001233977945 818745471 /nfs/dbraw/zinc/74/54/71/818745471.db2.gz LHKXQBPIXUSHGL-HNNXBMFYSA-N 1 1 268.445 3.360 20 30 CGEDMO C#C[C@@H](Oc1cccc2c1CC[N@H+](C)C2)c1ccccc1 ZINC001234425151 818852946 /nfs/dbraw/zinc/85/29/46/818852946.db2.gz VOPUEZIRMFFGSV-GOSISDBHSA-N 1 1 277.367 3.428 20 30 CGEDMO CC(C)c1c(C#N)cccc1O[C@@H]1CCc2[nH+]ccn2C1 ZINC001234857062 818935480 /nfs/dbraw/zinc/93/54/80/818935480.db2.gz PXSOWYSCTOHOJI-CQSZACIVSA-N 1 1 281.359 3.272 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccc(OC)c(C(=O)OC)c1 ZINC001234973582 818968609 /nfs/dbraw/zinc/96/86/09/818968609.db2.gz AUCWHFRAQGGIRR-UHFFFAOYSA-N 1 1 291.391 3.270 20 30 CGEDMO CCc1cc(C#N)ccc1CN1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235037448 818986342 /nfs/dbraw/zinc/98/63/42/818986342.db2.gz GDWSRWKMHKMODG-LJQANCHMSA-N 1 1 297.446 3.229 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cccc(N3CCCC3)c2)C1 ZINC001235095951 819001700 /nfs/dbraw/zinc/00/17/00/819001700.db2.gz KFMMLGSHXYGHRR-INIZCTEOSA-N 1 1 268.404 3.132 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2cc3cccc(F)c3[nH]2)CC1 ZINC001235245802 819047053 /nfs/dbraw/zinc/04/70/53/819047053.db2.gz CHDMIYYUISYJBL-GFCCVEGCSA-N 1 1 271.339 3.433 20 30 CGEDMO N#CCc1ccccc1C[N@H+]1CCC(=O)[C@@H]2CCCC[C@@H]21 ZINC001235511403 819112672 /nfs/dbraw/zinc/11/26/72/819112672.db2.gz GWFCEDPKDAWQSM-SJORKVTESA-N 1 1 282.387 3.086 20 30 CGEDMO N#CCc1ccccc1C[N@@H+]1CCC(=O)[C@@H]2CCCC[C@@H]21 ZINC001235511403 819112677 /nfs/dbraw/zinc/11/26/77/819112677.db2.gz GWFCEDPKDAWQSM-SJORKVTESA-N 1 1 282.387 3.086 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCNC(=O)C[C@@H](C)C(C)C ZINC001235548442 819121204 /nfs/dbraw/zinc/12/12/04/819121204.db2.gz XHKYKHJDLJCJHE-OAHLLOKOSA-N 1 1 268.445 3.073 20 30 CGEDMO C[C@@H]1CCC[N@H+](Cc2c(F)cc(C#N)cc2F)[C@H]1C ZINC001235657548 819130898 /nfs/dbraw/zinc/13/08/98/819130898.db2.gz QUJSAXYCMZZDRS-MNOVXSKESA-N 1 1 264.319 3.457 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2c(F)cc(C#N)cc2F)[C@H]1C ZINC001235657548 819130899 /nfs/dbraw/zinc/13/08/99/819130899.db2.gz QUJSAXYCMZZDRS-MNOVXSKESA-N 1 1 264.319 3.457 20 30 CGEDMO C[C@H]1C[N@H+](Cc2c(F)cc(C#N)cc2F)C2(CC2)C1 ZINC001235665255 819132683 /nfs/dbraw/zinc/13/26/83/819132683.db2.gz UKCXDHNLANFINU-SNVBAGLBSA-N 1 1 262.303 3.211 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2c(F)cc(C#N)cc2F)C2(CC2)C1 ZINC001235665255 819132685 /nfs/dbraw/zinc/13/26/85/819132685.db2.gz UKCXDHNLANFINU-SNVBAGLBSA-N 1 1 262.303 3.211 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(O)c(OC(F)(F)F)c2)C1 ZINC001235673302 819133680 /nfs/dbraw/zinc/13/36/80/819133680.db2.gz PPQPJHPAPYGHNP-LLVKDONJSA-N 1 1 299.292 3.136 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCCNC(=O)CC1=CCCCC1 ZINC001235766837 819163044 /nfs/dbraw/zinc/16/30/44/819163044.db2.gz SGAAULNYYOTGIH-UHFFFAOYSA-N 1 1 278.440 3.281 20 30 CGEDMO CCCCCCCC[N@H+](CCCOC)[C@@H]1CCCNC1 ZINC001235797989 819171064 /nfs/dbraw/zinc/17/10/64/819171064.db2.gz WNMNITKEOGIZKK-QGZVFWFLSA-N 1 1 284.488 3.437 20 30 CGEDMO CCCCCCCC[N@@H+](CCCOC)[C@@H]1CCCNC1 ZINC001235797989 819171068 /nfs/dbraw/zinc/17/10/68/819171068.db2.gz WNMNITKEOGIZKK-QGZVFWFLSA-N 1 1 284.488 3.437 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237122670 819672891 /nfs/dbraw/zinc/67/28/91/819672891.db2.gz JZJIXKPJHZRBDZ-NSHDSACASA-N 1 1 299.292 3.136 20 30 CGEDMO C=CCCCCCCN1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237383463 819737415 /nfs/dbraw/zinc/73/74/15/819737415.db2.gz PFRYTSGMCFLULE-JKSUJKDBSA-N 1 1 250.430 3.197 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCCC[C@H]2c2cccnc2)ccn1 ZINC001237469952 819759402 /nfs/dbraw/zinc/75/94/02/819759402.db2.gz JJTFBHWOOQUXKD-KRWDZBQOSA-N 1 1 278.359 3.075 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCCC[C@H]2c2cccnc2)ccn1 ZINC001237469952 819759408 /nfs/dbraw/zinc/75/94/08/819759408.db2.gz JJTFBHWOOQUXKD-KRWDZBQOSA-N 1 1 278.359 3.075 20 30 CGEDMO COc1c(C)cccc1C[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001237499122 819764404 /nfs/dbraw/zinc/76/44/04/819764404.db2.gz BWILNFRHPSIKKA-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO COc1c(C)cccc1C[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001237499122 819764409 /nfs/dbraw/zinc/76/44/09/819764409.db2.gz BWILNFRHPSIKKA-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2cc(C#N)c(F)cc2F)CC1 ZINC001237525181 819771749 /nfs/dbraw/zinc/77/17/49/819771749.db2.gz PRUUOJAWVUKOQT-LLVKDONJSA-N 1 1 264.319 3.458 20 30 CGEDMO COC(C)(C)[C@@H]1CCC[N@H+]1Cc1cc(C#N)c(F)cc1F ZINC001237526329 819772469 /nfs/dbraw/zinc/77/24/69/819772469.db2.gz AYPLOLGVAJSDLB-HNNXBMFYSA-N 1 1 294.345 3.226 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@H](CF)C2)c(F)cc1F ZINC001237534583 819773744 /nfs/dbraw/zinc/77/37/44/819773744.db2.gz PSPQUVOIXKOASB-SNVBAGLBSA-N 1 1 268.282 3.018 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@H](CF)C2)c(F)cc1F ZINC001237534583 819773747 /nfs/dbraw/zinc/77/37/47/819773747.db2.gz PSPQUVOIXKOASB-SNVBAGLBSA-N 1 1 268.282 3.018 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)Cc1cc(OC)nc(OC)c1 ZINC001237569580 819780295 /nfs/dbraw/zinc/78/02/95/819780295.db2.gz VFGBMMURWTYBIX-UHFFFAOYSA-N 1 1 298.386 3.287 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cc(OC)nc(OC)c1 ZINC001237569580 819780301 /nfs/dbraw/zinc/78/03/01/819780301.db2.gz VFGBMMURWTYBIX-UHFFFAOYSA-N 1 1 298.386 3.287 20 30 CGEDMO C=CC[N@H+](Cc1cc(OC)cc(OC)c1O)C(C)(C)C ZINC001237686220 819806363 /nfs/dbraw/zinc/80/63/63/819806363.db2.gz YDKJQXQAMUKYMX-UHFFFAOYSA-N 1 1 279.380 3.196 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)CC[C@]1(C)O ZINC001237747333 819834786 /nfs/dbraw/zinc/83/47/86/819834786.db2.gz UMHQSURVMRHSBM-WBMJQRKESA-N 1 1 292.810 3.195 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)CC[C@@]1(C)O ZINC001237747329 819835170 /nfs/dbraw/zinc/83/51/70/819835170.db2.gz UMHQSURVMRHSBM-BLLLJJGKSA-N 1 1 292.810 3.195 20 30 CGEDMO CC(C)[N@@H+](C)[C@@H]1CCN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC001237753689 819838579 /nfs/dbraw/zinc/83/85/79/819838579.db2.gz NJOKRRNDYAHGKM-MRXNPFEDSA-N 1 1 291.826 3.126 20 30 CGEDMO Cc1ccc(O)cc1C[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001238098176 819931452 /nfs/dbraw/zinc/93/14/52/819931452.db2.gz ZTQXMSZUNOBKLF-UHFFFAOYSA-N 1 1 278.355 3.131 20 30 CGEDMO Cc1ccc(O)cc1C[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001238098176 819931457 /nfs/dbraw/zinc/93/14/57/819931457.db2.gz ZTQXMSZUNOBKLF-UHFFFAOYSA-N 1 1 278.355 3.131 20 30 CGEDMO C=CCCCC[N@@H+](C)Cc1cc(OC)cnc1F ZINC001238123588 819937637 /nfs/dbraw/zinc/93/76/37/819937637.db2.gz PXZXDEIXBOPGIJ-UHFFFAOYSA-N 1 1 252.333 3.017 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cc(OC)cnc1F ZINC001238123588 819937640 /nfs/dbraw/zinc/93/76/40/819937640.db2.gz PXZXDEIXBOPGIJ-UHFFFAOYSA-N 1 1 252.333 3.017 20 30 CGEDMO CCN1CCC([N@H+](C)Cc2ccc(Cl)c(C#N)c2)CC1 ZINC001238195084 819953252 /nfs/dbraw/zinc/95/32/52/819953252.db2.gz ZTUKKCQZWYACLQ-UHFFFAOYSA-N 1 1 291.826 3.128 20 30 CGEDMO CCN1CCC([N@@H+](C)Cc2ccc(Cl)c(C#N)c2)CC1 ZINC001238195084 819953256 /nfs/dbraw/zinc/95/32/56/819953256.db2.gz ZTUKKCQZWYACLQ-UHFFFAOYSA-N 1 1 291.826 3.128 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)cnc1C1CC1 ZINC001238618539 820063850 /nfs/dbraw/zinc/06/38/50/820063850.db2.gz UABFCCNIIOZUMB-AWEZNQCLSA-N 1 1 269.392 3.393 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cnc(C3CC3)c(C)c2)C1 ZINC001238629261 820069428 /nfs/dbraw/zinc/06/94/28/820069428.db2.gz WDJOKWSHHCWUOA-AWEZNQCLSA-N 1 1 254.377 3.113 20 30 CGEDMO CSc1ncc(C)cc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001238716230 820099688 /nfs/dbraw/zinc/09/96/88/820099688.db2.gz HOIMFYCWJIFKFZ-ZDUSSCGKSA-N 1 1 275.421 3.238 20 30 CGEDMO CCc1cc(C[N@@H+](C)Cc2ccccc2O)ccc1C#N ZINC001238768144 820113653 /nfs/dbraw/zinc/11/36/53/820113653.db2.gz GEESIBAXGLLNLQ-UHFFFAOYSA-N 1 1 280.371 3.458 20 30 CGEDMO CCCCCCCCOC(=O)NC[C@@H]1CC(F)(F)C[NH2+]1 ZINC001239317454 820265556 /nfs/dbraw/zinc/26/55/56/820265556.db2.gz ZRZZOBWAWRLICZ-LBPRGKRZSA-N 1 1 292.370 3.070 20 30 CGEDMO N#Cc1cccnc1C1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001240385497 821008731 /nfs/dbraw/zinc/00/87/31/821008731.db2.gz VVBGIMGZPCDSLG-UHFFFAOYSA-N 1 1 275.355 3.243 20 30 CGEDMO COc1ccc(-c2c[nH+]c(N(C)C)cc2C)cc1CC#N ZINC001241243759 821664390 /nfs/dbraw/zinc/66/43/90/821664390.db2.gz KOZYTQRBHYUYQR-UHFFFAOYSA-N 1 1 281.359 3.198 20 30 CGEDMO C[N@@H+]1CC=C(c2ccc(C3(C#N)CCC3)cc2)CC1 ZINC001241322424 821732113 /nfs/dbraw/zinc/73/21/13/821732113.db2.gz NUHKNISHKXWNOX-UHFFFAOYSA-N 1 1 252.361 3.351 20 30 CGEDMO N#Cc1cccc(C2=CC[N@@H+](Cc3ccccc3)CC2)n1 ZINC001241499371 821901348 /nfs/dbraw/zinc/90/13/48/821901348.db2.gz AFIRCROTFRWISE-UHFFFAOYSA-N 1 1 275.355 3.243 20 30 CGEDMO COCC[N@@H+](C)Cc1ccnc(-c2cc(C)cc(C#N)c2)c1 ZINC001242478645 823006482 /nfs/dbraw/zinc/00/64/82/823006482.db2.gz IUFPIPADKNRNEH-UHFFFAOYSA-N 1 1 295.386 3.007 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1-c1ccc(F)cc1C#N ZINC001242582259 823043848 /nfs/dbraw/zinc/04/38/48/823043848.db2.gz WHEARJJXKUUKTE-UHFFFAOYSA-N 1 1 255.296 3.134 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccsc2)C[C@H]1C ZINC001328223194 935125628 /nfs/dbraw/zinc/12/56/28/935125628.db2.gz LVUKMUZJHNEYQL-UKRRQHHQSA-N 1 1 292.448 3.297 20 30 CGEDMO C=CCCCCCN(C)C(=O)C[N@H+](C)Cc1ccccc1 ZINC001339376531 936370057 /nfs/dbraw/zinc/37/00/57/936370057.db2.gz HYPXXGCNAAFILP-UHFFFAOYSA-N 1 1 288.435 3.323 20 30 CGEDMO C=CCCCCCN(C)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001339376531 936370063 /nfs/dbraw/zinc/37/00/63/936370063.db2.gz HYPXXGCNAAFILP-UHFFFAOYSA-N 1 1 288.435 3.323 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC001340988848 936422740 /nfs/dbraw/zinc/42/27/40/936422740.db2.gz DXLPFFQLZNSZHR-CQSZACIVSA-N 1 1 294.345 3.379 20 30 CGEDMO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1CCCCC1(C#N)CCC1 ZINC001341139997 936429500 /nfs/dbraw/zinc/42/95/00/936429500.db2.gz VKNKUMPLTGDTLH-CABCVRRESA-N 1 1 292.423 3.124 20 30 CGEDMO N#CC[C@@]1(O)CC[N@@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC001346043078 936835388 /nfs/dbraw/zinc/83/53/88/936835388.db2.gz GISHTCMRHMLYIH-QGZVFWFLSA-N 1 1 298.411 3.266 20 30 CGEDMO C=C[C@H](C(=O)N(C)CCCn1cc[nH+]c1C)c1ccccc1 ZINC001346451351 936849115 /nfs/dbraw/zinc/84/91/15/936849115.db2.gz PUKPKDQFZIZERL-KRWDZBQOSA-N 1 1 297.402 3.010 20 30 CGEDMO C[NH+](C)[C@H]1CCCC[C@H]1NCc1ccc(C2(C#N)CC2)cc1 ZINC001347355387 936881027 /nfs/dbraw/zinc/88/10/27/936881027.db2.gz CVJIXKQBBMPXLO-MSOLQXFVSA-N 1 1 297.446 3.204 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)CCC)C1 ZINC001479909800 936922772 /nfs/dbraw/zinc/92/27/72/936922772.db2.gz QTHQHZPXZIMQFY-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C[C@@H](COC)[NH2+][C@@H](C)c1cc(-c2ccccc2)no1 ZINC001350967148 937004500 /nfs/dbraw/zinc/00/45/00/937004500.db2.gz WWCQSBSWTWWQGU-JSGCOSHPSA-N 1 1 272.348 3.193 20 30 CGEDMO C=C[C@@H](COC)[NH2+][C@H](C)c1cc(-c2ccccc2)no1 ZINC001350967628 937004588 /nfs/dbraw/zinc/00/45/88/937004588.db2.gz WWCQSBSWTWWQGU-OCCSQVGLSA-N 1 1 272.348 3.193 20 30 CGEDMO Cc1cnc(C2CC[NH+](Cc3cncc(C#N)c3)CC2)s1 ZINC001351400554 937017043 /nfs/dbraw/zinc/01/70/43/937017043.db2.gz VNDVHQBOKUQZPU-UHFFFAOYSA-N 1 1 298.415 3.098 20 30 CGEDMO C=CCCC[N@H+]1CCCC[C@H]1CNC(=O)C=C1CCC1 ZINC001480316131 937046055 /nfs/dbraw/zinc/04/60/55/937046055.db2.gz ODQXMTNGEAAGII-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCCF ZINC001480371829 937047686 /nfs/dbraw/zinc/04/76/86/937047686.db2.gz GZMHPZYXMHTTOF-HZPDHXFCSA-N 1 1 296.430 3.158 20 30 CGEDMO CC[N@H+]1CC[C@@H](N(C)c2cc(F)ccc2C#N)C[C@@H]1C ZINC001472704616 937105510 /nfs/dbraw/zinc/10/55/10/937105510.db2.gz CBWGVUBIEVZEBZ-SWLSCSKDSA-N 1 1 275.371 3.006 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC[N@@H+](C)CCCC(C)(C)C ZINC001480898374 926760786 /nfs/dbraw/zinc/76/07/86/926760786.db2.gz MGAGKUCLOIIQGG-UHFFFAOYSA-N 1 1 282.472 3.463 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C[C@H](C)CCC ZINC001481030782 926865971 /nfs/dbraw/zinc/86/59/71/926865971.db2.gz MKMGRRKNIIHHNB-TZMCWYRMSA-N 1 1 286.847 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H](C)CCC ZINC001481030782 926865979 /nfs/dbraw/zinc/86/59/79/926865979.db2.gz MKMGRRKNIIHHNB-TZMCWYRMSA-N 1 1 286.847 3.146 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccsc1 ZINC001481054405 926873777 /nfs/dbraw/zinc/87/37/77/926873777.db2.gz ZGSAXZSXOAPTMS-CQSZACIVSA-N 1 1 292.448 3.041 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1CC[N@H+](CC(CC)CC)C1 ZINC001481094045 926883473 /nfs/dbraw/zinc/88/34/73/926883473.db2.gz NJLDUTHBLXDZLU-INIZCTEOSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)c1sccc1C(C)C ZINC001481154521 926896157 /nfs/dbraw/zinc/89/61/57/926896157.db2.gz KMXBLHPUQCWTSV-UHFFFAOYSA-N 1 1 294.464 3.499 20 30 CGEDMO C=CCC[N@@H+](CCC)CCNC(=O)c1cccc2[nH]ccc21 ZINC001481146864 926896380 /nfs/dbraw/zinc/89/63/80/926896380.db2.gz JTUISJBSFOYMQV-UHFFFAOYSA-N 1 1 299.418 3.186 20 30 CGEDMO C=C1CCC(C(=O)NCC[N@H+](C[C@@H](C)CC)C2CC2)CC1 ZINC001481185308 926904196 /nfs/dbraw/zinc/90/41/96/926904196.db2.gz ZOAOXKCVJLGBRR-AWEZNQCLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+](CCNC(=O)c1cccc(C(F)F)c1)C1CC1 ZINC001481193733 926906169 /nfs/dbraw/zinc/90/61/69/926906169.db2.gz GCIYBYCCXKKLFL-UHFFFAOYSA-N 1 1 294.345 3.004 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)CCC2(C)CC2)C1 ZINC001481458581 926989435 /nfs/dbraw/zinc/98/94/35/926989435.db2.gz GKAUGJZJEVZJAB-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC001481474644 926996004 /nfs/dbraw/zinc/99/60/04/926996004.db2.gz MKKDFNNTKWWPEX-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)CCC)C1 ZINC001481496710 927004251 /nfs/dbraw/zinc/00/42/51/927004251.db2.gz JYTQGFVCPRSBIK-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc3ccccc3o2)C1 ZINC001481503860 927006997 /nfs/dbraw/zinc/00/69/97/927006997.db2.gz SSHQLWXXMZFQRS-CQSZACIVSA-N 1 1 298.386 3.013 20 30 CGEDMO C=CCn1ccc2c1nc[nH+]c2N[C@H]1CC[C@H](C#N)CC1 ZINC001167841056 927030730 /nfs/dbraw/zinc/03/07/30/927030730.db2.gz NFBCBGGTDFXSQF-JOCQHMNTSA-N 1 1 281.363 3.112 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C)C1 ZINC001481705596 927067338 /nfs/dbraw/zinc/06/73/38/927067338.db2.gz DGBXPXDVWCZHEO-QGZVFWFLSA-N 1 1 286.419 3.042 20 30 CGEDMO C=CCC(CC=C)C(=O)N(CC)[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001481769287 927084441 /nfs/dbraw/zinc/08/44/41/927084441.db2.gz QTIIIXRLFJMEQB-KRWDZBQOSA-N 1 1 290.451 3.088 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)C[C@H](C)CC(C)C)C1 ZINC001481778434 927086103 /nfs/dbraw/zinc/08/61/03/927086103.db2.gz MTYBFNBPVJZNCE-IAGOWNOFSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)C2(CCF)CC2)C1 ZINC001481770536 927088071 /nfs/dbraw/zinc/08/80/71/927088071.db2.gz FLQDTSUBINUCIV-HNNXBMFYSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCCC(=O)NC[C@@H](C)[N@@H+](C)CC1CCCCCC1 ZINC001505884770 927362063 /nfs/dbraw/zinc/36/20/63/927362063.db2.gz NFAUISAYMPIYQN-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@H+](C)C[C@H](C)NC(=O)CCC1CCCCCC1 ZINC001483364232 927491173 /nfs/dbraw/zinc/49/11/73/927491173.db2.gz PQHRNQQLQPEALO-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H](C)C[N@@H+](C)CC1CCCC1 ZINC001483381386 927491943 /nfs/dbraw/zinc/49/19/43/927491943.db2.gz XWBXCZHEMRMQJT-WMLDXEAASA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)c1ccc(F)c(Cl)c1 ZINC001483379087 927493852 /nfs/dbraw/zinc/49/38/52/927493852.db2.gz RKBFJRXNWIZLHG-NSHDSACASA-N 1 1 298.789 3.105 20 30 CGEDMO CC#CC[N@@H+](C)C[C@@H](C)NC(=O)C1(CC(C)C)CCCC1 ZINC001483394369 927496498 /nfs/dbraw/zinc/49/64/98/927496498.db2.gz BXTBVJJWONGDIC-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccccc1Cl ZINC001483410708 927500475 /nfs/dbraw/zinc/50/04/75/927500475.db2.gz YZZYQCVSQOOBSM-ZDUSSCGKSA-N 1 1 294.826 3.356 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](CC)CC1CCCC1 ZINC001483692933 927578393 /nfs/dbraw/zinc/57/83/93/927578393.db2.gz BOWGURDSGCRVGR-IRXDYDNUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)/C(C)=C/C)C2)C1 ZINC001483828924 927630956 /nfs/dbraw/zinc/63/09/56/927630956.db2.gz DATGHPFLYWRPRC-BDSVNUEJSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)CCC(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC001484044744 927667033 /nfs/dbraw/zinc/66/70/33/927667033.db2.gz LNFDKGXDSIWCCB-GOSISDBHSA-N 1 1 286.419 3.124 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)c2cc(C)co2)C1 ZINC001484058453 927669984 /nfs/dbraw/zinc/66/99/84/927669984.db2.gz VTHYTEWVSPDSGZ-PBHICJAKSA-N 1 1 290.407 3.137 20 30 CGEDMO CC#CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](CCCC)C(C)C)C1 ZINC001484075184 927671826 /nfs/dbraw/zinc/67/18/26/927671826.db2.gz VYAGCTLWCZDVCT-WMZOPIPTSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CCCCC(=O)NC[C@@]1(C)CCC[N@H+](C[C@@H](C)CC)C1 ZINC001484156234 927681445 /nfs/dbraw/zinc/68/14/45/927681445.db2.gz KBILDCVTYONUBL-FUHWJXTLSA-N 1 1 292.467 3.054 20 30 CGEDMO CCCCC[N@H+]1CCC[C@@](C)(CNC(=O)C#CC(C)C)C1 ZINC001484158426 927685319 /nfs/dbraw/zinc/68/53/19/927685319.db2.gz BNTTUZSZRDOMHN-SFHVURJKSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](C)CC ZINC001484457052 927706530 /nfs/dbraw/zinc/70/65/30/927706530.db2.gz RNXZRUKCWILEDR-IXDOHACOSA-N 1 1 292.467 3.454 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1CCC[N@H+](CCCCCC)CC1 ZINC001484714482 927740604 /nfs/dbraw/zinc/74/06/04/927740604.db2.gz VYGFVEMVDKXYCT-QGZVFWFLSA-N 1 1 292.467 3.341 20 30 CGEDMO C=CCCC[N@H+](C)CCCN(C)C(=O)c1ccc(F)cc1 ZINC001484730542 927743992 /nfs/dbraw/zinc/74/39/92/927743992.db2.gz BMJPMFLPALEIRT-UHFFFAOYSA-N 1 1 292.398 3.186 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](C)CC(C)(C)C)CC1 ZINC001484722392 927747473 /nfs/dbraw/zinc/74/74/73/927747473.db2.gz VEVRJTHZOOVAJF-JKSUJKDBSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@H](C)c1ccccc1 ZINC001484764351 927751784 /nfs/dbraw/zinc/75/17/84/927751784.db2.gz MCSVAFQMSJNXAN-MRXNPFEDSA-N 1 1 288.435 3.147 20 30 CGEDMO C=CC[N@H+](C)CCCN(C)C(=O)C1(CC)CCCCC1 ZINC001484768852 927754596 /nfs/dbraw/zinc/75/45/96/927754596.db2.gz IOFVXLUBGNGZHS-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCC[N@@H+]1Cc2ccc(CNC(=O)[C@H](C)CC)cc2C1 ZINC001484875119 927763595 /nfs/dbraw/zinc/76/35/95/927763595.db2.gz UYQUXBVNWFCPQE-CQSZACIVSA-N 1 1 286.419 3.241 20 30 CGEDMO CC#CC[N@H+]1Cc2ccc(CNC(=O)CCCCC)cc2C1 ZINC001484873876 927763716 /nfs/dbraw/zinc/76/37/16/927763716.db2.gz CZVHRTOSGGLPHJ-UHFFFAOYSA-N 1 1 298.430 3.222 20 30 CGEDMO CC#CC[N@@H+]1Cc2ccc(CNC(=O)CCCCC)cc2C1 ZINC001484873876 927763724 /nfs/dbraw/zinc/76/37/24/927763724.db2.gz CZVHRTOSGGLPHJ-UHFFFAOYSA-N 1 1 298.430 3.222 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@H+](CCC2CC2)CC1(C)C ZINC001484938377 927773528 /nfs/dbraw/zinc/77/35/28/927773528.db2.gz ZQESHPVYPQCXMH-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)C(CC)CC)C(C)(C)C1 ZINC001484935888 927774937 /nfs/dbraw/zinc/77/49/37/927774937.db2.gz BMISWAZJTVARIP-GOEBONIOSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)/C(C)=C/CC)C[C@@H]1C ZINC001484970091 927776880 /nfs/dbraw/zinc/77/68/80/927776880.db2.gz YWSUVCPFUCTTOZ-JEYQBLLFSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C(C)C)C[C@@H]1C ZINC001484984040 927780848 /nfs/dbraw/zinc/78/08/48/927780848.db2.gz YJTRHERSVVBMND-LSDHHAIUSA-N 1 1 280.456 3.214 20 30 CGEDMO C#CCCCCC(=O)N[C@@H]1CC[N@@H+](CC=C(C)C)[C@@H](C)C1 ZINC001484974302 927781393 /nfs/dbraw/zinc/78/13/93/927781393.db2.gz RQTDTUNLEKBNTC-DLBZAZTESA-N 1 1 290.451 3.115 20 30 CGEDMO C#CC[N@H+](CC)CC1CCN(C(=O)CC[C@@H](C)CC)CC1 ZINC001485033055 927791266 /nfs/dbraw/zinc/79/12/66/927791266.db2.gz UESXCAXQAHOQGP-INIZCTEOSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CC(C)(C)C1CC1 ZINC001485055533 927791299 /nfs/dbraw/zinc/79/12/99/927791299.db2.gz MGSZGGIVYLMMCJ-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@]12C[C@H]1CCC2 ZINC001485064592 927795180 /nfs/dbraw/zinc/79/51/80/927795180.db2.gz JOVXCSXRIFZXNZ-SOLBZPMBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC(=C)Cl ZINC001485058574 927798863 /nfs/dbraw/zinc/79/88/63/927798863.db2.gz QIPZOECDFMGCOH-CQSZACIVSA-N 1 1 298.858 3.264 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@@H]1C[N@H+](C)CC(=C)Cl ZINC001485058574 927798870 /nfs/dbraw/zinc/79/88/70/927798870.db2.gz QIPZOECDFMGCOH-CQSZACIVSA-N 1 1 298.858 3.264 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@]12C[C@H]1CCCC2 ZINC001485069973 927798999 /nfs/dbraw/zinc/79/89/99/927798999.db2.gz UIZSYPIWKXILEB-SOLBZPMBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]1C[N@@H+](C)CC(=C)Cl ZINC001485058549 927799607 /nfs/dbraw/zinc/79/96/07/927799607.db2.gz PRDJPFVXNYIVCN-AWEZNQCLSA-N 1 1 284.831 3.018 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]1C[N@H+](C)CC(=C)Cl ZINC001485058549 927799614 /nfs/dbraw/zinc/79/96/14/927799614.db2.gz PRDJPFVXNYIVCN-AWEZNQCLSA-N 1 1 284.831 3.018 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)CC=C ZINC001485070966 927801724 /nfs/dbraw/zinc/80/17/24/927801724.db2.gz GYDPHJSKTXCEAC-OAHLLOKOSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](CC)CCC ZINC001485073654 927805680 /nfs/dbraw/zinc/80/56/80/927805680.db2.gz UPBHHQCEPUMWLN-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CCC[N@H+](CCCNC(=O)[C@@]1(C)CCC[C@@H]1C)C(C)C ZINC001493871796 927805713 /nfs/dbraw/zinc/80/57/13/927805713.db2.gz YAVWCUUANAYITR-WMZOPIPTSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)CNC(=O)c1ccc(-c2ccccc2)o1 ZINC001485352976 927853388 /nfs/dbraw/zinc/85/33/88/927853388.db2.gz ANUHEQKKYSPJNW-CQSZACIVSA-N 1 1 298.386 3.183 20 30 CGEDMO C=CC1(CC(=O)NC[C@@H](C)[N@@H+](C)CCCF)CCCCC1 ZINC001485361556 927855724 /nfs/dbraw/zinc/85/57/24/927855724.db2.gz IEOKZRHLLPQLOU-OAHLLOKOSA-N 1 1 298.446 3.309 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@H]1CCCCC[N@H+]1CCCF ZINC001485477536 927876468 /nfs/dbraw/zinc/87/64/68/927876468.db2.gz UFTZMJZZDADWOL-OAHLLOKOSA-N 1 1 298.446 3.309 20 30 CGEDMO C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)CCCC ZINC001485477306 927876491 /nfs/dbraw/zinc/87/64/91/927876491.db2.gz RPQGCBRXFDDQGX-DLBZAZTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)C2CC(C)C2)CC1 ZINC001485755236 927913234 /nfs/dbraw/zinc/91/32/34/927913234.db2.gz DZPBKHBRLTZZII-PCKAHOCUSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)c2ccc(C)o2)CC1 ZINC001485751787 927915518 /nfs/dbraw/zinc/91/55/18/927915518.db2.gz ITCWRIXQCBLIFK-UHFFFAOYSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)C(CC)CC)CCC[C@@H]12 ZINC001486139251 927990531 /nfs/dbraw/zinc/99/05/31/927990531.db2.gz HRTFNRYDBRHSNB-NVXWUHKLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCCC(=O)N[C@]12CCC[C@H]1[N@@H+](CC(C)C)CC2 ZINC001486147684 927990712 /nfs/dbraw/zinc/99/07/12/927990712.db2.gz KKCOVBXGPVRZAO-WBVHZDCISA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)C(CC)CC)CCC[C@H]12 ZINC001486139249 927991130 /nfs/dbraw/zinc/99/11/30/927991130.db2.gz HRTFNRYDBRHSNB-DOTOQJQBSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)CCCCC)[C@H]1C ZINC001486163390 927992976 /nfs/dbraw/zinc/99/29/76/927992976.db2.gz HEOFJPSFSPWHGO-CABCVRRESA-N 1 1 266.429 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)CSCCC)[C@H]1C ZINC001486172578 927993283 /nfs/dbraw/zinc/99/32/83/927993283.db2.gz WQPGRPUVYVPPDL-CABCVRRESA-N 1 1 298.496 3.065 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CCC[N@@H+](CC3CC3)[C@@H]2C)CCC1 ZINC001486181418 927995825 /nfs/dbraw/zinc/99/58/25/927995825.db2.gz PDFBXRMXWCPOKV-GDBMZVCRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(CC)CC)[C@@H]1C ZINC001486187636 927996471 /nfs/dbraw/zinc/99/64/71/927996471.db2.gz VGMDDSZBKVNSEJ-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)[C@H](C)C(C)(F)F)C(C)C ZINC001486375425 928012735 /nfs/dbraw/zinc/01/27/35/928012735.db2.gz HMLQJSHYXRHQGI-ZDUSSCGKSA-N 1 1 290.398 3.023 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)C[C@H]2CCC[C@H]2C)CC1 ZINC001486510172 928030016 /nfs/dbraw/zinc/03/00/16/928030016.db2.gz VAPFRTHPGIFGOQ-NVXWUHKLSA-N 1 1 290.451 3.137 20 30 CGEDMO CC[N@@H+](Cc1ccncc1)[C@H](C)Cc1cccc(C#N)c1 ZINC001171204396 928200662 /nfs/dbraw/zinc/20/06/62/928200662.db2.gz XAZGLGKSFLGFAP-OAHLLOKOSA-N 1 1 279.387 3.406 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C(C)C)[C@H]1C ZINC001489267177 928319862 /nfs/dbraw/zinc/31/98/62/928319862.db2.gz HNECBTMTELGCAS-CABCVRRESA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CC[N@H+](C[C@@H](F)CC)[C@@H]1C ZINC001489267216 928321833 /nfs/dbraw/zinc/32/18/33/928321833.db2.gz AEKOXNYNQMGSJL-KBMXLJTQSA-N 1 1 296.430 3.082 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@](C)(F)CCCC)[C@H]1C ZINC001489275480 928322725 /nfs/dbraw/zinc/32/27/25/928322725.db2.gz QRSCXWVGYBOYAB-HLLBOEOZSA-N 1 1 298.446 3.450 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[N@H+](C[C@H](F)CC)CC(C)(C)C1 ZINC001489343663 928328787 /nfs/dbraw/zinc/32/87/87/928328787.db2.gz IPOLYQLKEFILEU-HUUCEWRRSA-N 1 1 298.446 3.308 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(OC)c(C(C)(C)C)c1 ZINC001560793747 937237473 /nfs/dbraw/zinc/23/74/73/937237473.db2.gz YVQBRRJIGUHYEQ-ZDUSSCGKSA-N 1 1 259.393 3.446 20 30 CGEDMO CC#CC[N@H+](C)CCCNC(=O)[C@@H](CC)CC1CCCC1 ZINC001490255407 928337810 /nfs/dbraw/zinc/33/78/10/928337810.db2.gz BOGNEBUKICTIEX-KRWDZBQOSA-N 1 1 292.467 3.054 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCNC(=O)[C@@]1(C)CCC[C@H]1C ZINC001490243727 928338370 /nfs/dbraw/zinc/33/83/70/928338370.db2.gz IFAPEDYRJXTSMH-WBVHZDCISA-N 1 1 280.456 3.217 20 30 CGEDMO CC#CC[N@H+](CC)CCCNC(=O)[C@H]1CCCC[C@@H]1CC ZINC001490351863 928346446 /nfs/dbraw/zinc/34/64/46/928346446.db2.gz PMSMTQFBWSCAMU-IRXDYDNUSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1CCC[N@H+](C[C@H](C)CC)C1 ZINC001490438366 928355461 /nfs/dbraw/zinc/35/54/61/928355461.db2.gz ISLXZSHTAHJCSF-NVXWUHKLSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)CC(C)(C)CC)C1 ZINC001490438299 928355958 /nfs/dbraw/zinc/35/59/58/928355958.db2.gz DNFRSKUFJBGJNP-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CCC[N@H+](CC2CC(C)C2)C1 ZINC001490438370 928356375 /nfs/dbraw/zinc/35/63/75/928356375.db2.gz IVVYZTLXYJZEGZ-GPANFISMSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@H+](CC/C=C/CCC)C1 ZINC001490547575 928367472 /nfs/dbraw/zinc/36/74/72/928367472.db2.gz CDHQZXYNYQMNNW-MOEXGYKKSA-N 1 1 278.440 3.280 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001490547821 928367999 /nfs/dbraw/zinc/36/79/99/928367999.db2.gz HEJQKSYRFSBXHT-NVXWUHKLSA-N 1 1 286.419 3.294 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)C(C)(C)CCC)C1 ZINC001490559367 928370069 /nfs/dbraw/zinc/37/00/69/928370069.db2.gz QGBRNWMOTNCQFD-GJZGRUSLSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)CC2=CCCCC2)C1 ZINC001490751199 928384634 /nfs/dbraw/zinc/38/46/34/928384634.db2.gz DHYHFOBXEROQMR-KRWDZBQOSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCC1(C(=O)NCC[N@H+](C)C[C@@H](C)CC)CCCC1 ZINC001492894684 937242691 /nfs/dbraw/zinc/24/26/91/937242691.db2.gz PKSNYKIDLOBEHB-HNNXBMFYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCC(=O)N(C)[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001318385765 928434180 /nfs/dbraw/zinc/43/41/80/928434180.db2.gz JGJJCKSJOZGEGA-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C[C@H](C)SC)CC1 ZINC001327111863 928603086 /nfs/dbraw/zinc/60/30/86/928603086.db2.gz HVWOGBVEJRWVLK-GJZGRUSLSA-N 1 1 298.496 3.065 20 30 CGEDMO CC[C@@H](C)[C@@H](C)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC001460184745 928740606 /nfs/dbraw/zinc/74/06/06/928740606.db2.gz LIHPYVKODRLMDF-HUUCEWRRSA-N 1 1 274.408 3.441 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCC(C)C)C1 ZINC001490980848 928821918 /nfs/dbraw/zinc/82/19/18/928821918.db2.gz MAQQUBVCJBYMEI-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)/C(C)=C\CC ZINC001491199241 928840652 /nfs/dbraw/zinc/84/06/52/928840652.db2.gz GVEFVASSEQHNFD-MVMZHWFQSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)C(C)(C)C ZINC001491212640 928845149 /nfs/dbraw/zinc/84/51/49/928845149.db2.gz DHTBPHVQKOMVLF-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(CC)CC)C1 ZINC001491299752 928853660 /nfs/dbraw/zinc/85/36/60/928853660.db2.gz INSJFSOYAXCNIT-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC1(CC(=O)N2CCC[N@H+](C)C[C@@H]2CC)CCCCC1 ZINC001448725176 937376755 /nfs/dbraw/zinc/37/67/55/937376755.db2.gz XEGLHSHSTMOCSK-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C#CC[NH+](CC#C)CCSc1ccc(Cl)cc1 ZINC001459522497 937490131 /nfs/dbraw/zinc/49/01/31/937490131.db2.gz CSLACMBRCIARSM-UHFFFAOYSA-N 1 1 263.793 3.001 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC001459768244 937499684 /nfs/dbraw/zinc/49/96/84/937499684.db2.gz GARVVGJSFMMOLR-YOEHRIQHSA-N 1 1 257.377 3.125 20 30 CGEDMO C#CCOCC[N@H+](C)CCC1C[C@H](C)C[C@@H](C)C1 ZINC001459895117 937504916 /nfs/dbraw/zinc/50/49/16/937504916.db2.gz SULYJVANDIJKJU-HUUCEWRRSA-N 1 1 251.414 3.030 20 30 CGEDMO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1cc(C#N)ccn1 ZINC001459931542 937507309 /nfs/dbraw/zinc/50/73/09/937507309.db2.gz JJKOFJHJAFJUJE-JQWIXIFHSA-N 1 1 283.297 3.116 20 30 CGEDMO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1cc(C#N)ccn1 ZINC001459931542 937507312 /nfs/dbraw/zinc/50/73/12/937507312.db2.gz JJKOFJHJAFJUJE-JQWIXIFHSA-N 1 1 283.297 3.116 20 30 CGEDMO C=C(CC)C[N@H+]1CCCC[C@@H]1COC(=O)NC1CCCC1 ZINC001460195700 937520000 /nfs/dbraw/zinc/52/00/00/937520000.db2.gz INOPLVVUEXCMEI-MRXNPFEDSA-N 1 1 294.439 3.476 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc([Si](C)(C)C)cc1 ZINC001460213839 937520553 /nfs/dbraw/zinc/52/05/53/937520553.db2.gz REPGKLVJHQORGA-AWEZNQCLSA-N 1 1 260.457 3.014 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC001460271005 937524428 /nfs/dbraw/zinc/52/44/28/937524428.db2.gz RJBCYIWLKJYRLM-UONOGXRCSA-N 1 1 267.413 3.395 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](C[C@@H]2CCC[C@@]3(CCOC3)O2)C1 ZINC001460361126 937528456 /nfs/dbraw/zinc/52/84/56/937528456.db2.gz LJNNRTJVAFPUBQ-IKGGRYGDSA-N 1 1 279.424 3.003 20 30 CGEDMO C=CCOCC[N@@H+]1CCCC[C@@H]1Cc1ccccc1F ZINC001460355716 937528810 /nfs/dbraw/zinc/52/88/10/937528810.db2.gz GLOFAYNDWRVCSD-MRXNPFEDSA-N 1 1 277.383 3.425 20 30 CGEDMO C=CC[N@H+](CCSc1cccc(OC)c1)[C@@H](C)COC ZINC001460405998 937530395 /nfs/dbraw/zinc/53/03/95/937530395.db2.gz AUPCSCMJRYHMFA-AWEZNQCLSA-N 1 1 295.448 3.310 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(C)c(C(=O)OC)c2)C1 ZINC001460521743 937533705 /nfs/dbraw/zinc/53/37/05/937533705.db2.gz KFVQRYXJNOGRCG-AWEZNQCLSA-N 1 1 273.376 3.180 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC001460703098 937540810 /nfs/dbraw/zinc/54/08/10/937540810.db2.gz DEEPMNTZIIUSKJ-CQSZACIVSA-N 1 1 282.428 3.284 20 30 CGEDMO C=CCCCC[N@H+](C)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC001460716208 937541620 /nfs/dbraw/zinc/54/16/20/937541620.db2.gz GQYMBOGPZPRIOX-INIZCTEOSA-N 1 1 288.391 3.300 20 30 CGEDMO C=CCC[C@H]1CCC[N@H+]1Cc1csc(C(=O)OCC)n1 ZINC001460888604 937551119 /nfs/dbraw/zinc/55/11/19/937551119.db2.gz GJRAXPYAWURIGX-ZDUSSCGKSA-N 1 1 294.420 3.250 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1csc(C(=O)OCC)n1 ZINC001460888604 937551121 /nfs/dbraw/zinc/55/11/21/937551121.db2.gz GJRAXPYAWURIGX-ZDUSSCGKSA-N 1 1 294.420 3.250 20 30 CGEDMO N#Cc1ccc2[nH]cc(C[N@H+]3CCC[C@H]4C[C@H]43)c2c1 ZINC001140117187 931955826 /nfs/dbraw/zinc/95/58/26/931955826.db2.gz NFRBXVNWSKXEPA-BLLLJJGKSA-N 1 1 251.333 3.024 20 30 CGEDMO CC[C@@H]1CC[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140117195 931955985 /nfs/dbraw/zinc/95/59/85/931955985.db2.gz NKDKPIVOWJTYQP-GFCCVEGCSA-N 1 1 253.349 3.271 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC001460899942 937551666 /nfs/dbraw/zinc/55/16/66/937551666.db2.gz LKPXLEVXYDVRBZ-KRWDZBQOSA-N 1 1 286.419 3.294 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)CCC(C)(C)C ZINC001155910148 931977824 /nfs/dbraw/zinc/97/78/24/931977824.db2.gz FKHWSXBINTWZLQ-CYBMUJFWSA-N 1 1 288.863 3.392 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)CCC(C)(C)C ZINC001155910148 931977831 /nfs/dbraw/zinc/97/78/31/931977831.db2.gz FKHWSXBINTWZLQ-CYBMUJFWSA-N 1 1 288.863 3.392 20 30 CGEDMO Cc1c[nH+]c(N(C)Cc2ccc(C#N)cc2)c(C)c1 ZINC001166539919 931997951 /nfs/dbraw/zinc/99/79/51/931997951.db2.gz XSVBKMWNMSBOAM-UHFFFAOYSA-N 1 1 251.333 3.207 20 30 CGEDMO CC(C)[C@]1(CO)CC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411748557 932029352 /nfs/dbraw/zinc/02/93/52/932029352.db2.gz KLCKJJLOPKAUJM-QGZVFWFLSA-N 1 1 278.440 3.191 20 30 CGEDMO C=C(C)C[C@H](Oc1ccc(C(=[NH2+])NO)c(F)c1)C(=C)C ZINC001229081152 932089502 /nfs/dbraw/zinc/08/95/02/932089502.db2.gz ORVBZZPFQIXRED-AWEZNQCLSA-N 1 1 278.327 3.420 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](Oc2cc(C#N)ccc2Cl)C1 ZINC001229249939 932123426 /nfs/dbraw/zinc/12/34/26/932123426.db2.gz CRNPDDVMYHIADW-GFCCVEGCSA-N 1 1 264.756 3.073 20 30 CGEDMO C=CCc1ccc(O)c(O[C@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)c1 ZINC001229338516 932136198 /nfs/dbraw/zinc/13/61/98/932136198.db2.gz HGFWEMBZURLHOS-HWWDLCQESA-N 1 1 287.403 3.230 20 30 CGEDMO N#Cc1cc(C[NH2+]Cc2ccc(Br)o2)cs1 ZINC001461441262 937581324 /nfs/dbraw/zinc/58/13/24/937581324.db2.gz MCPMSQVYBJOCTP-UHFFFAOYSA-N 1 1 297.177 3.265 20 30 CGEDMO C=CCCn1cc(C[NH2+]Cc2cc(Cl)ccc2C)nn1 ZINC001461797555 937597696 /nfs/dbraw/zinc/59/76/96/937597696.db2.gz UFRYZQTTXGFSPW-UHFFFAOYSA-N 1 1 290.798 3.106 20 30 CGEDMO Cc1cccnc1[C@@H](C)[NH2+]Cc1csc(C#N)c1 ZINC001461816945 937599387 /nfs/dbraw/zinc/59/93/87/937599387.db2.gz MKESTLAYWDRQBC-LLVKDONJSA-N 1 1 257.362 3.174 20 30 CGEDMO CN(C)c1ccc(C#N)cc1C[N@@H+](C)Cc1ccccc1 ZINC001461843298 937601098 /nfs/dbraw/zinc/60/10/98/937601098.db2.gz JQGMFOOVPSTKIL-UHFFFAOYSA-N 1 1 279.387 3.256 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H]1C1CCN(C(C)=O)CC1 ZINC001230485933 932577765 /nfs/dbraw/zinc/57/77/65/932577765.db2.gz OCXBXSBLDMEVKP-SFHVURJKSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCCC)CC1 ZINC001230512558 932580905 /nfs/dbraw/zinc/58/09/05/932580905.db2.gz AJYKOGXWVQICHI-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1C ZINC001230651778 932604148 /nfs/dbraw/zinc/60/41/48/932604148.db2.gz QYOFWOJFHZIEJZ-INIZCTEOSA-N 1 1 286.419 3.108 20 30 CGEDMO C=C(C)C[N@H+](CC)CC1(C)CCN(C(=O)OCC)CC1 ZINC001462016328 937612766 /nfs/dbraw/zinc/61/27/66/937612766.db2.gz GUHBZMWLRBRPTI-UHFFFAOYSA-N 1 1 282.428 3.143 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)CC1CCCC1 ZINC001230664281 932605041 /nfs/dbraw/zinc/60/50/41/932605041.db2.gz MXCQEIAIATZQLO-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)C ZINC001230803093 932626278 /nfs/dbraw/zinc/62/62/78/932626278.db2.gz UQDZFMOGAOSRDL-OAHLLOKOSA-N 1 1 268.445 3.146 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)/C=C(/C)C1CC1 ZINC001230957690 932648272 /nfs/dbraw/zinc/64/82/72/932648272.db2.gz IAMYAYMVHFURNP-KTWGLELUSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C=C1CCCCC1 ZINC001231043022 932664419 /nfs/dbraw/zinc/66/44/19/932664419.db2.gz OATQLHKDRVBNRS-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)C2(CCC)CC2)CC1 ZINC001331052910 932681411 /nfs/dbraw/zinc/68/14/11/932681411.db2.gz ABHFIJQIUUIESJ-UHFFFAOYSA-N 1 1 298.858 3.242 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C/C=C\c1ccc(C)cc1 ZINC001316609557 932747811 /nfs/dbraw/zinc/74/78/11/932747811.db2.gz CZPSMGNAGPVMKC-OOFWQKGWSA-N 1 1 298.430 3.117 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)CC2=CCCCC2)C1 ZINC001491915860 932796030 /nfs/dbraw/zinc/79/60/30/932796030.db2.gz HDOXSPALSMKGJM-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)C2(CC)CCC2)C1 ZINC001491943826 932799073 /nfs/dbraw/zinc/79/90/73/932799073.db2.gz SCZCRHGHULQQRI-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H]1CCCNC(=O)C1CCCC1 ZINC001492135358 932808003 /nfs/dbraw/zinc/80/80/03/932808003.db2.gz FNIANGCRFAFIRD-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)c1cccs1 ZINC001492136388 932808362 /nfs/dbraw/zinc/80/83/62/932808362.db2.gz VAGFVBXQCCSKOI-AWEZNQCLSA-N 1 1 292.448 3.299 20 30 CGEDMO C=C(C)C[N@H+](C)CCNC(=O)C[C@@H](C)CC(C)(C)C ZINC001492432809 932817138 /nfs/dbraw/zinc/81/71/38/932817138.db2.gz VFQNAUSALBBCBC-CQSZACIVSA-N 1 1 268.445 3.073 20 30 CGEDMO C=CC[N@@H+](C)CCCNC(=O)c1cccc2c(C)c(C)[nH]c21 ZINC001316831787 932826309 /nfs/dbraw/zinc/82/63/09/932826309.db2.gz IBOKHYXVXSSTBR-UHFFFAOYSA-N 1 1 299.418 3.022 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC001462461604 937642994 /nfs/dbraw/zinc/64/29/94/937642994.db2.gz PIEOBZDMHWLEDL-LSDHHAIUSA-N 1 1 289.394 3.358 20 30 CGEDMO C=CC[N@@H+](CCCC1CCCCC1)CC(=O)OCC ZINC001307437736 932952690 /nfs/dbraw/zinc/95/26/90/932952690.db2.gz AHVGCOZQRFSRAQ-UHFFFAOYSA-N 1 1 267.413 3.398 20 30 CGEDMO C=CC[N@H+](CCCC1CCCCC1)CC(=O)OCC ZINC001307437736 932952693 /nfs/dbraw/zinc/95/26/93/932952693.db2.gz AHVGCOZQRFSRAQ-UHFFFAOYSA-N 1 1 267.413 3.398 20 30 CGEDMO C=C(C)C[N@H+](C)CCNC(=O)c1ccc([C@@H](C)CC)cc1 ZINC001317471794 932963654 /nfs/dbraw/zinc/96/36/54/932963654.db2.gz PIYXGQKRXYLKQW-HNNXBMFYSA-N 1 1 288.435 3.438 20 30 CGEDMO CCCCCCCCC[N@H+]1CCOC[C@H]1CC(=O)OC ZINC001307813721 933003399 /nfs/dbraw/zinc/00/33/99/933003399.db2.gz PGAFIMDJKKYQRA-OAHLLOKOSA-N 1 1 285.428 3.001 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](CCC2(C(=O)OC(C)(C)C)CCC2)C1 ZINC001307877988 933013998 /nfs/dbraw/zinc/01/39/98/933013998.db2.gz NMNFENVOPAQGFX-OAHLLOKOSA-N 1 1 291.435 3.234 20 30 CGEDMO C#CC[N@@H+](CCCC1CCCCC1)C1CSC1 ZINC001307919510 933019780 /nfs/dbraw/zinc/01/97/80/933019780.db2.gz WVPAHFPYJOABCW-UHFFFAOYSA-N 1 1 251.439 3.398 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC001307915784 933020693 /nfs/dbraw/zinc/02/06/93/933020693.db2.gz XFRIJTNYSXNMAK-MRXNPFEDSA-N 1 1 257.352 3.465 20 30 CGEDMO C#CCOCC[N@@H+]1CCC[C@]1(C)Cc1cccc(C)c1 ZINC001307971494 933027027 /nfs/dbraw/zinc/02/70/27/933027027.db2.gz AYWKQKMQTMICJS-GOSISDBHSA-N 1 1 271.404 3.042 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@]1(C)C(=O)OC(C)(C)C ZINC001307958905 933027324 /nfs/dbraw/zinc/02/73/24/933027324.db2.gz VFOZGSYJBZOXPZ-HNNXBMFYSA-N 1 1 253.386 3.149 20 30 CGEDMO C#CC[C@H]1CC[N@H+](CCc2ccccc2Br)C1 ZINC001308066506 933042774 /nfs/dbraw/zinc/04/27/74/933042774.db2.gz BKBOKJQJISNQLN-ZDUSSCGKSA-N 1 1 292.220 3.337 20 30 CGEDMO C#CC[C@H]1CC[N@H+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC001308066571 933043294 /nfs/dbraw/zinc/04/32/94/933043294.db2.gz CTSKQXSCMOCKCH-OXJNMPFZSA-N 1 1 293.410 3.088 20 30 CGEDMO CCNc1nc(C[NH2+][C@H](C)c2cccc(C#N)c2)cs1 ZINC001308065978 933043541 /nfs/dbraw/zinc/04/35/41/933043541.db2.gz JSQSONZDQRDGTK-LLVKDONJSA-N 1 1 286.404 3.297 20 30 CGEDMO C#CC[N@H+](CCc1ccc(OC(F)(F)F)cc1)C(C)C ZINC001308096537 933048641 /nfs/dbraw/zinc/04/86/41/933048641.db2.gz ORDBZMFOJHECNC-UHFFFAOYSA-N 1 1 285.309 3.471 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1CCCOC(F)(F)F ZINC001308135106 933055592 /nfs/dbraw/zinc/05/55/92/933055592.db2.gz DPHCNTWXOVFRFG-LLVKDONJSA-N 1 1 251.292 3.344 20 30 CGEDMO C#C[C@@H]1CCCC[N@@H+]1Cc1ccc(OC(F)F)cc1 ZINC001308143851 933057362 /nfs/dbraw/zinc/05/73/62/933057362.db2.gz WMABNVOECYUDNY-CYBMUJFWSA-N 1 1 265.303 3.276 20 30 CGEDMO C=CCCCC[N@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC001308145323 933058000 /nfs/dbraw/zinc/05/80/00/933058000.db2.gz KXPHRKSVRAUYFD-CVEARBPZSA-N 1 1 251.414 3.481 20 30 CGEDMO C=CCC1(O)C[NH+](Cc2ccc(C(F)(F)F)cc2C)C1 ZINC001462661183 937657794 /nfs/dbraw/zinc/65/77/94/937657794.db2.gz KHKQPESOFIYUKW-UHFFFAOYSA-N 1 1 285.309 3.137 20 30 CGEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2csc(C#N)c2)C1(C)C ZINC001308567761 933132862 /nfs/dbraw/zinc/13/28/62/933132862.db2.gz OLLUJWRTVGUSCP-KBPBESRZSA-N 1 1 278.421 3.255 20 30 CGEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2csc(C#N)c2)C1(C)C ZINC001308567763 933133296 /nfs/dbraw/zinc/13/32/96/933133296.db2.gz OLLUJWRTVGUSCP-KGLIPLIRSA-N 1 1 278.421 3.255 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)CC1CCC(OC)CC1 ZINC001308590255 933138324 /nfs/dbraw/zinc/13/83/24/933138324.db2.gz QWOGWZKUGLBKLH-UHFFFAOYSA-N 1 1 289.394 3.466 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cn(CCC)nc1C ZINC001308643292 933149894 /nfs/dbraw/zinc/14/98/94/933149894.db2.gz VFGZUNYARMJDEY-UHFFFAOYSA-N 1 1 287.407 3.425 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1cccc2c(OC)cccc12 ZINC001308877276 933195005 /nfs/dbraw/zinc/19/50/05/933195005.db2.gz BWTAKMUWRNKZNN-UHFFFAOYSA-N 1 1 297.398 3.320 20 30 CGEDMO CCCCCCCCCNC(=O)N1CC[C@H]([N@@H+](C)CC)C1 ZINC001311550578 933302864 /nfs/dbraw/zinc/30/28/64/933302864.db2.gz AYWHBCGTYHXAMN-INIZCTEOSA-N 1 1 297.487 3.473 20 30 CGEDMO C=CC[C@@H]1CCCC[C@H]1NC(=O)NCC[N@H+](CC)CCC ZINC001312158167 933341788 /nfs/dbraw/zinc/34/17/88/933341788.db2.gz RSKOIMBKAANEHY-HZPDHXFCSA-N 1 1 295.471 3.152 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)CCC)CC(C)(C)C1 ZINC001316808592 933467461 /nfs/dbraw/zinc/46/74/61/933467461.db2.gz WXSJPCDBFZIOCQ-CVEARBPZSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C(CCC)CCC)[C@H]1C ZINC001316790779 933480214 /nfs/dbraw/zinc/48/02/14/933480214.db2.gz MPVKEOQGUAPFMV-ZBFHGGJFSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C1=CCCCCC1 ZINC001316803402 933482201 /nfs/dbraw/zinc/48/22/01/933482201.db2.gz NPIVAHDUNYTOQY-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)/C(C)=C\C)CC(C)(C)C1 ZINC001316811611 933485832 /nfs/dbraw/zinc/48/58/32/933485832.db2.gz SAPMZIVKIIRSKH-XIEDVDOYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@@H+](CC)CCCNC(=O)C(F)=C1CCCC1 ZINC001316891800 933492220 /nfs/dbraw/zinc/49/22/20/933492220.db2.gz YBGPFPGWASCLSZ-UHFFFAOYSA-N 1 1 282.403 3.188 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001316939078 933499822 /nfs/dbraw/zinc/49/98/22/933499822.db2.gz AYFKEVUBUYJIHR-NVXWUHKLSA-N 1 1 286.419 3.294 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC1(C)C ZINC001317046114 933521275 /nfs/dbraw/zinc/52/12/75/933521275.db2.gz UYLMZSNASRYJMY-CAOSSQGBSA-N 1 1 290.451 3.062 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]2C[N@@H+](C(C)C)CC[C@@H]21 ZINC001317104877 933531421 /nfs/dbraw/zinc/53/14/21/933531421.db2.gz KVHLWYZXEVUBDR-CVEARBPZSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC2CC2)C1 ZINC001317100209 933531648 /nfs/dbraw/zinc/53/16/48/933531648.db2.gz HHTOFYPRGYESQQ-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCCCCN(C)C(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC001465308383 937700076 /nfs/dbraw/zinc/70/00/76/937700076.db2.gz FUMCYXQHGQNZQW-AWEZNQCLSA-N 1 1 266.429 3.064 20 30 CGEDMO CC(C)CC[N@@H+](C)[C@@H]1CCCN(C(=O)C#CC(C)(C)C)C1 ZINC001317372770 933578113 /nfs/dbraw/zinc/57/81/13/933578113.db2.gz DDBWRTMVNKQZRA-MRXNPFEDSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001317528989 933613110 /nfs/dbraw/zinc/61/31/10/933613110.db2.gz UOTMAYZJQPPBAY-AWEZNQCLSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(Cl)C[NH2+][C@H](CNC(=O)/C(C)=C\C)c1ccccc1 ZINC001317715503 933636609 /nfs/dbraw/zinc/63/66/09/933636609.db2.gz OVZSQNYWAFWIJB-KYHFQZCVSA-N 1 1 292.810 3.152 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC ZINC001317740809 933640807 /nfs/dbraw/zinc/64/08/07/933640807.db2.gz QYPSKQPGLMEDNP-HRCADAONSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001317786729 933649639 /nfs/dbraw/zinc/64/96/39/933649639.db2.gz BTMJITTWWAQPDE-IAGOWNOFSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCCC(=O)N1CC[C@H](C[N@H+](C)CC(CC)CC)C1 ZINC001317831398 933656987 /nfs/dbraw/zinc/65/69/87/933656987.db2.gz RJINTQGQDZNGKE-MRXNPFEDSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)C(CC)CC)C1 ZINC001317841638 933657450 /nfs/dbraw/zinc/65/74/50/933657450.db2.gz GHAMUMCMLCSFPQ-HZPDHXFCSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)CCC2CC2)C1 ZINC001317926710 933664862 /nfs/dbraw/zinc/66/48/62/933664862.db2.gz PVIMZEJSCDRGIW-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001317981593 933671915 /nfs/dbraw/zinc/67/19/15/933671915.db2.gz OZFODBVWFWGINP-WMZOPIPTSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[NH+]1CC(NC(=O)c2coc3c2cccc3C)C1 ZINC001318032685 933678318 /nfs/dbraw/zinc/67/83/18/933678318.db2.gz RXJVOPKFDBICFT-UHFFFAOYSA-N 1 1 298.386 3.121 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC001318038177 933678710 /nfs/dbraw/zinc/67/87/10/933678710.db2.gz NTPIJRKZPXIVJX-XHSDSOJGSA-N 1 1 292.467 3.193 20 30 CGEDMO C=CCCCCC[NH+]1CC(NC(=O)[C@@H]2CCC[C@H](C)C2)C1 ZINC001318058579 933680208 /nfs/dbraw/zinc/68/02/08/933680208.db2.gz XZHYFHMLIGAQAW-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC1(CC(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CCCCC1 ZINC001466010246 937705849 /nfs/dbraw/zinc/70/58/49/937705849.db2.gz DTTNPXYVKXFKKR-CABCVRRESA-N 1 1 290.451 3.254 20 30 CGEDMO C=C(C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1C ZINC001318201058 933694615 /nfs/dbraw/zinc/69/46/15/933694615.db2.gz DFBRIOWBOBISMI-ROUUACIJSA-N 1 1 298.430 3.136 20 30 CGEDMO C=CCC1(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCCC)CCC1 ZINC001318216984 933696465 /nfs/dbraw/zinc/69/64/65/933696465.db2.gz WSPRJVHWHFRJGZ-HOTGVXAUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C2CCCCC2)C1 ZINC001318310213 933708443 /nfs/dbraw/zinc/70/84/43/933708443.db2.gz JBEBAGFVBMSCME-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)/C(C)=C/C)C1 ZINC001318466128 933728959 /nfs/dbraw/zinc/72/89/59/933728959.db2.gz QMACAMKEJRHCGK-DMNRVOQQSA-N 1 1 278.440 3.230 20 30 CGEDMO C#CC[N@@H+](Cc1coc(-c2cccc(F)c2)n1)CC1CC1 ZINC001319458253 933878832 /nfs/dbraw/zinc/87/88/32/933878832.db2.gz KOFWUXFZQVYTHO-UHFFFAOYSA-N 1 1 284.334 3.326 20 30 CGEDMO C#CC[N@H+](Cc1coc(-c2cccc(F)c2)n1)CC1CC1 ZINC001319458253 933878836 /nfs/dbraw/zinc/87/88/36/933878836.db2.gz KOFWUXFZQVYTHO-UHFFFAOYSA-N 1 1 284.334 3.326 20 30 CGEDMO C[NH+](C)[C@@H]1CCCC[C@@H]1N[C@H]1CCCc2cc(C#N)ccc21 ZINC001319804255 933935161 /nfs/dbraw/zinc/93/51/61/933935161.db2.gz FWNBJTFKMUJXMY-GBESFXJTSA-N 1 1 297.446 3.398 20 30 CGEDMO C#CCCCC(=O)N1CCC(CC[N@H+](C)CCCC)CC1 ZINC001319876966 933951322 /nfs/dbraw/zinc/95/13/22/933951322.db2.gz VTVVGHGQBBOWHJ-UHFFFAOYSA-N 1 1 292.467 3.151 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+]([C@H](C)c2c(F)cccc2F)C1 ZINC001320038372 933984627 /nfs/dbraw/zinc/98/46/27/933984627.db2.gz RAZOLGZGILOAPM-VXGBXAGGSA-N 1 1 267.319 3.303 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+]([C@H](C)c2c(F)cccc2F)C1 ZINC001320038372 933984636 /nfs/dbraw/zinc/98/46/36/933984636.db2.gz RAZOLGZGILOAPM-VXGBXAGGSA-N 1 1 267.319 3.303 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](C[C@@H](CC)c2ccccc2)C1 ZINC001320378846 934039265 /nfs/dbraw/zinc/03/92/65/934039265.db2.gz LBNZRVRSVFEFCE-WBVHZDCISA-N 1 1 259.393 3.457 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2sccc2Cl)C1 ZINC001321073732 934147419 /nfs/dbraw/zinc/14/74/19/934147419.db2.gz CHEZKDMHRNPYOD-JTQLQIEISA-N 1 1 257.786 3.178 20 30 CGEDMO C#CC[N@H+](Cc1ccc(Cl)cc1OC)CC1CC1 ZINC001321557765 934195898 /nfs/dbraw/zinc/19/58/98/934195898.db2.gz AVPHIPKSWHLGKL-UHFFFAOYSA-N 1 1 263.768 3.194 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC001470387083 937751985 /nfs/dbraw/zinc/75/19/85/937751985.db2.gz BVPANFNIAJHPHD-AWEZNQCLSA-N 1 1 283.460 3.007 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)C1CC1 ZINC001322221774 934259074 /nfs/dbraw/zinc/25/90/74/934259074.db2.gz BKVWOBYNZNCYRI-KGLIPLIRSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CC[N@H+](C)C[C@H](C)NC(=O)Cc1cccc2ccccc21 ZINC001322285554 934271977 /nfs/dbraw/zinc/27/19/77/934271977.db2.gz NRXSLNPZTGKRIT-HNNXBMFYSA-N 1 1 296.414 3.005 20 30 CGEDMO C=CCn1cnn(C[NH+](CCCC)CCCC)c1=S ZINC001322696638 934331104 /nfs/dbraw/zinc/33/11/04/934331104.db2.gz BTOHCGPETVUSOG-UHFFFAOYSA-N 1 1 282.457 3.460 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC001323272255 934379340 /nfs/dbraw/zinc/37/93/40/934379340.db2.gz GWYJLWYSEPPVPZ-JFIYKMOQSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC(CC)CC ZINC001323697121 934418736 /nfs/dbraw/zinc/41/87/36/934418736.db2.gz WYLBJRCOAPRHJZ-SJORKVTESA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)[C@@H](F)CC)C1CCCCCC1 ZINC001323720994 934420073 /nfs/dbraw/zinc/42/00/73/934420073.db2.gz ASUOMJFZEMJANO-INIZCTEOSA-N 1 1 298.446 3.452 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001323784929 934426074 /nfs/dbraw/zinc/42/60/74/934426074.db2.gz HTFUFNPDWYSLAB-SFHVURJKSA-N 1 1 286.419 3.064 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2conc2Cc2ccccc2)C1 ZINC001324338109 934489342 /nfs/dbraw/zinc/48/93/42/934489342.db2.gz ZCOPIPQJOQFSCH-KRWDZBQOSA-N 1 1 298.386 3.042 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001324642510 934536944 /nfs/dbraw/zinc/53/69/44/934536944.db2.gz XBAHYJUHNZLLAK-SJLPKXTDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@H](CC)CC2CCCC2)C1 ZINC001324656962 934541855 /nfs/dbraw/zinc/54/18/55/934541855.db2.gz OXYQPKAUNBYVRE-AEFFLSMTSA-N 1 1 292.467 3.360 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@@H](N2CCCCC2)C1 ZINC001473170721 937795438 /nfs/dbraw/zinc/79/54/38/937795438.db2.gz PGKHKNWZCXWHCK-GOSISDBHSA-N 1 1 297.446 3.235 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H](N2CCCCC2)C1 ZINC001473170721 937795440 /nfs/dbraw/zinc/79/54/40/937795440.db2.gz PGKHKNWZCXWHCK-GOSISDBHSA-N 1 1 297.446 3.235 20 30 CGEDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1cc(C#N)ccn1 ZINC001473213659 937797837 /nfs/dbraw/zinc/79/78/37/937797837.db2.gz VZOMVIZPNYVILB-RDTXWAMCSA-N 1 1 277.371 3.331 20 30 CGEDMO CC[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1cncc(C#N)c1 ZINC001473389346 937804543 /nfs/dbraw/zinc/80/45/43/937804543.db2.gz SSCIGHFLJWYHHY-HZPDHXFCSA-N 1 1 257.381 3.354 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc(C(C)C)nc2C)C1 ZINC001324941893 934875676 /nfs/dbraw/zinc/87/56/76/934875676.db2.gz WFGSXZHHRXWJNZ-MRXNPFEDSA-N 1 1 274.408 3.290 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@@]1(C)CCC[N@H+](C(C)C)C1 ZINC001324959048 934876830 /nfs/dbraw/zinc/87/68/30/934876830.db2.gz ZSUFINHDZBBGRZ-SJORKVTESA-N 1 1 280.456 3.215 20 30 CGEDMO C#CCCCCCC[N@@H+]1C2CCC(CC2)[C@H]1C(=O)OCC ZINC001473496359 937809191 /nfs/dbraw/zinc/80/91/91/937809191.db2.gz DCLURCWBJQCEHU-JCYILVPMSA-N 1 1 291.435 3.376 20 30 CGEDMO C#CCCCCCC[NH2+][C@](C)(c1noc(C)n1)C1CC1 ZINC001473502596 937809714 /nfs/dbraw/zinc/80/97/14/937809714.db2.gz ZENCPBRIPQZHTI-INIZCTEOSA-N 1 1 275.396 3.177 20 30 CGEDMO Cc1cc(F)ccc1N[NH+]=Cc1cccnc1N(C)C ZINC001325253077 934898936 /nfs/dbraw/zinc/89/89/36/934898936.db2.gz GQJDJGCTAJCBNI-UHFFFAOYSA-N 1 1 272.327 3.041 20 30 CGEDMO C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)[C@@H](C)CC)C[C@H]2C1 ZINC001325766797 934928462 /nfs/dbraw/zinc/92/84/62/934928462.db2.gz QTRLGYWWTVLPLW-LUKYLMHMSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCC[N@H+]1C[C@H]2CN(C(=O)C[C@H](CC)C(C)C)C[C@H]2C1 ZINC001325772116 934928851 /nfs/dbraw/zinc/92/88/51/934928851.db2.gz IVBTZZGBWDHKAM-YESZJQIVSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC(CC)CC ZINC001325919273 934938979 /nfs/dbraw/zinc/93/89/79/934938979.db2.gz HRGHXWPKQSZFDD-JKSUJKDBSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)CC(C)C ZINC001325923145 934939238 /nfs/dbraw/zinc/93/92/38/934939238.db2.gz VGXGZPZXLXSVLD-HOTGVXAUSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C[C@H](CO)[NH2+]Cc1cc2cc(Cl)ccc2nc1Cl ZINC001473668472 937816272 /nfs/dbraw/zinc/81/62/72/937816272.db2.gz LMJJTPCWFLJJKD-GFCCVEGCSA-N 1 1 297.185 3.178 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001326787532 935007468 /nfs/dbraw/zinc/00/74/68/935007468.db2.gz QVFLDBNEAPXODY-ZFWWWQNUSA-N 1 1 299.374 3.479 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001326787532 935007474 /nfs/dbraw/zinc/00/74/74/935007474.db2.gz QVFLDBNEAPXODY-ZFWWWQNUSA-N 1 1 299.374 3.479 20 30 CGEDMO C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)/C(C)=C\CC ZINC001327506659 935064549 /nfs/dbraw/zinc/06/45/49/935064549.db2.gz HKSSRKZEPBGVHP-CQYSBYMNSA-N 1 1 298.430 3.072 20 30 CGEDMO C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)/C(C)=C\CC ZINC001327506659 935064554 /nfs/dbraw/zinc/06/45/54/935064554.db2.gz HKSSRKZEPBGVHP-CQYSBYMNSA-N 1 1 298.430 3.072 20 30 CGEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)C3(CCC)CC3)cc2C1 ZINC001327695559 935078637 /nfs/dbraw/zinc/07/86/37/935078637.db2.gz IXOLFGZPRBDNBS-UHFFFAOYSA-N 1 1 298.430 3.385 20 30 CGEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)C3(CCC)CC3)cc2C1 ZINC001327695559 935078641 /nfs/dbraw/zinc/07/86/41/935078641.db2.gz IXOLFGZPRBDNBS-UHFFFAOYSA-N 1 1 298.430 3.385 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(-c3cnn(C)c3)cc2)C1 ZINC001327832203 935088152 /nfs/dbraw/zinc/08/81/52/935088152.db2.gz PQCKRMHAERNESU-MRXNPFEDSA-N 1 1 293.414 3.322 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C2(C#N)CC2)cc1)CC1CC1 ZINC001328197833 935123094 /nfs/dbraw/zinc/12/30/94/935123094.db2.gz PTDMFJZXICKRKB-UHFFFAOYSA-N 1 1 264.372 3.087 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc(COC)cs2)C1 ZINC001328207360 935124283 /nfs/dbraw/zinc/12/42/83/935124283.db2.gz AUTMJXIVYTVKHS-CYBMUJFWSA-N 1 1 263.406 3.130 20 30 CGEDMO C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C1(CC)CC1 ZINC001328470871 935141100 /nfs/dbraw/zinc/14/11/00/935141100.db2.gz ZVYLMTYHBYKESP-KRWDZBQOSA-N 1 1 298.430 3.078 20 30 CGEDMO C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C1(CC)CC1 ZINC001328470871 935141103 /nfs/dbraw/zinc/14/11/03/935141103.db2.gz ZVYLMTYHBYKESP-KRWDZBQOSA-N 1 1 298.430 3.078 20 30 CGEDMO C=C/C(C)=C\CC(=O)N1CCC[C@@H]1C[N@@H+](C)CCC(=C)C ZINC001328751779 935166734 /nfs/dbraw/zinc/16/67/34/935166734.db2.gz AROURTRKVGNANP-VHEJECIDSA-N 1 1 290.451 3.398 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)c1cccc(C2CC2)c1 ZINC001328799591 935169673 /nfs/dbraw/zinc/16/96/73/935169673.db2.gz XNWWOQPPRJONDM-GOSISDBHSA-N 1 1 298.430 3.286 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]([C@@H]2CC[N@@H+](CC=C)C2)C1 ZINC001328810238 935170905 /nfs/dbraw/zinc/17/09/05/935170905.db2.gz WYMKVUQLIPOCBE-DLBZAZTESA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@H](C)CNC(=O)c1ccoc1CC ZINC001329428819 935215313 /nfs/dbraw/zinc/21/53/13/935215313.db2.gz QZHYGCZQJAKRME-UONOGXRCSA-N 1 1 292.423 3.247 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)c1ccc2c(c1)CCC=C2 ZINC001329592960 935231385 /nfs/dbraw/zinc/23/13/85/935231385.db2.gz VYVUAAIOCWOVHL-OAHLLOKOSA-N 1 1 298.430 3.272 20 30 CGEDMO C=CCCC(C)(C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1C ZINC001329657782 935238268 /nfs/dbraw/zinc/23/82/68/935238268.db2.gz YUESPUOJZYHCTJ-UHFFFAOYSA-N 1 1 298.390 3.050 20 30 CGEDMO C#CC[N@H+](C/C=C\c1ccc(F)c(F)c1)CC1CC1 ZINC001329755218 935244628 /nfs/dbraw/zinc/24/46/28/935244628.db2.gz KTMVQSHFPJHQOB-ARJAWSKDSA-N 1 1 261.315 3.323 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](NC(=O)C2CC2)C(C)(C)C1 ZINC001330169749 935272957 /nfs/dbraw/zinc/27/29/57/935272957.db2.gz DBCHSXQMAIIKGZ-OAHLLOKOSA-N 1 1 280.456 3.193 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCCC)C[C@H]21 ZINC001330295991 935283815 /nfs/dbraw/zinc/28/38/15/935283815.db2.gz JZMBTRQGVNXRDY-PHZGNYQRSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)/C(C)=C\CC)C[C@H]2C1 ZINC001330449908 935288573 /nfs/dbraw/zinc/28/85/73/935288573.db2.gz AXLQKHSDOBOBDP-SHNCTPFOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCCC(=O)N1C[C@]2(C)C[N@H+](CCCCC)C[C@]2(C)C1 ZINC001330525715 935292456 /nfs/dbraw/zinc/29/24/56/935292456.db2.gz RZAISUKFCOEHQE-HDICACEKSA-N 1 1 292.467 3.313 20 30 CGEDMO CS[C@H]1CC[C@@H]([N@@H+](C)Cc2cccc(F)c2C#N)C1 ZINC001330600742 935301786 /nfs/dbraw/zinc/30/17/86/935301786.db2.gz MEICOMCFZAUDCX-OLZOCXBDSA-N 1 1 278.396 3.413 20 30 CGEDMO C=C(C)CC[N@H+](C)C1CCN(C(=O)[C@H]2CC[C@@H](F)C2)CC1 ZINC001331038722 935344262 /nfs/dbraw/zinc/34/42/62/935344262.db2.gz IKIURAHZTTYOGG-LSDHHAIUSA-N 1 1 296.430 3.014 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)cc1C#N ZINC001331397186 935377174 /nfs/dbraw/zinc/37/71/74/935377174.db2.gz RRBIALQEBYAVFR-OAHLLOKOSA-N 1 1 276.330 3.488 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](CC(=O)c2c[nH]c3ccc(F)cc32)C1 ZINC001331397246 935377205 /nfs/dbraw/zinc/37/72/05/935377205.db2.gz SBDBNYCMUWGAQK-ZDUSSCGKSA-N 1 1 298.361 3.225 20 30 CGEDMO C#CCC[N@H+](C)CCN(C(=O)C(C)=C1CCCC1)C(C)C ZINC001332697678 935482917 /nfs/dbraw/zinc/48/29/17/935482917.db2.gz BYWSVPRLGXNHLM-UHFFFAOYSA-N 1 1 290.451 3.069 20 30 CGEDMO CCCCCC[N@@H+](C)CCN(C(=O)C#CC(C)C)C(C)C ZINC001332707787 935482985 /nfs/dbraw/zinc/48/29/85/935482985.db2.gz RHTMTRMVBMTBKK-UHFFFAOYSA-N 1 1 294.483 3.395 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)c1c(C)coc1C)C(C)C ZINC001332700564 935483236 /nfs/dbraw/zinc/48/32/36/935483236.db2.gz WWFXAQKPURCDRU-UHFFFAOYSA-N 1 1 292.423 3.255 20 30 CGEDMO C#CC[N@H+](C)CCN(C(=O)[C@H](C)[C@H](C)C(C)(C)C)C(C)C ZINC001332735873 935486394 /nfs/dbraw/zinc/48/63/94/935486394.db2.gz SMZWUVAXKFLKKC-CVEARBPZSA-N 1 1 294.483 3.107 20 30 CGEDMO C#CCOCC[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC001333571606 935548206 /nfs/dbraw/zinc/54/82/06/935548206.db2.gz JMRCYDYBZSRWGO-HNNXBMFYSA-N 1 1 263.768 3.127 20 30 CGEDMO COc1cc(C[NH2+]Cc2cc(C#N)ccc2F)ccc1F ZINC001335089443 936128478 /nfs/dbraw/zinc/12/84/78/936128478.db2.gz IJWACRIFNHKYFS-UHFFFAOYSA-N 1 1 288.297 3.135 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)c1 ZINC001335264102 936135513 /nfs/dbraw/zinc/13/55/13/936135513.db2.gz WBXYGUARYLGQLD-QGZVFWFLSA-N 1 1 299.418 3.422 20 30 CGEDMO C#CC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1O)CC1CC1 ZINC001335566826 936153831 /nfs/dbraw/zinc/15/38/31/936153831.db2.gz JTVZGWCBLLYTHV-UHFFFAOYSA-N 1 1 291.778 3.093 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC001473748918 937820671 /nfs/dbraw/zinc/82/06/71/937820671.db2.gz DWANDCNIDCWHCM-MRXNPFEDSA-N 1 1 251.414 3.481 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](C[C@H]2CC3(CO2)CCCCC3)C1 ZINC001473788731 937822107 /nfs/dbraw/zinc/82/21/07/937822107.db2.gz SSPZLIMCIJGWJD-HZPDHXFCSA-N 1 1 261.409 3.071 20 30 CGEDMO C#CC[N@H+](CCCOC)[C@H]1CCCc2ccccc21 ZINC001473827478 937823309 /nfs/dbraw/zinc/82/33/09/937823309.db2.gz ZXRWSWWNIAMGES-KRWDZBQOSA-N 1 1 257.377 3.036 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cccc(F)c1N ZINC001474591605 937869327 /nfs/dbraw/zinc/86/93/27/937869327.db2.gz MZTROMYGEPMIJO-LBPRGKRZSA-N 1 1 283.350 3.473 20 30 CGEDMO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)CCCCCC ZINC001479260574 937918183 /nfs/dbraw/zinc/91/81/83/937918183.db2.gz WQPSIGIFBDGORL-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)CCCCCC ZINC001479260574 937918184 /nfs/dbraw/zinc/91/81/84/937918184.db2.gz WQPSIGIFBDGORL-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(CC=C)CCCC1 ZINC001479276028 937919011 /nfs/dbraw/zinc/91/90/11/937919011.db2.gz STVGNSZQQUTVRN-MRXNPFEDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)[C@@H]1C ZINC001479713775 937923943 /nfs/dbraw/zinc/92/39/43/937923943.db2.gz AQSKNLATOBIDEJ-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CC[N@@H+](CCC(=C)C)[C@@H]1C ZINC001479707135 937924078 /nfs/dbraw/zinc/92/40/78/937924078.db2.gz QXPWVFCPVSARKA-WBVHZDCISA-N 1 1 290.451 3.300 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](C)C1CCCC1 ZINC001479738858 937924864 /nfs/dbraw/zinc/92/48/64/937924864.db2.gz LHVMEABNWRRHKT-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CSC(C)C ZINC001479732735 937925055 /nfs/dbraw/zinc/92/50/55/937925055.db2.gz UVGAWGCRHCNDDX-HNNXBMFYSA-N 1 1 298.496 3.017 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2(CC)CC2)CC(C)(C)C1 ZINC001479747334 937925483 /nfs/dbraw/zinc/92/54/83/937925483.db2.gz ZADKKRTZXAOBBA-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+](C)CCCNC(=O)[C@H](C)C(C)(C)C ZINC001479778593 937925664 /nfs/dbraw/zinc/92/56/64/937925664.db2.gz WLTIHZYACWRYQX-AWEZNQCLSA-N 1 1 268.445 3.073 20 30 CGEDMO C=CCCC[N@@H+](C)CCCNC(=O)c1ccc2cc[nH]c2c1 ZINC001479799387 937925817 /nfs/dbraw/zinc/92/58/17/937925817.db2.gz XAMFIVSOVWNAKX-UHFFFAOYSA-N 1 1 299.418 3.186 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N(C)C1CC[NH+](CC(=C)Cl)CC1 ZINC001479892276 937928392 /nfs/dbraw/zinc/92/83/92/937928392.db2.gz SNVMYONRZKOFLG-MRXNPFEDSA-N 1 1 298.858 3.264 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)CCCCC(C)(C)C)C1 ZINC001479953904 937929630 /nfs/dbraw/zinc/92/96/30/937929630.db2.gz LESMZSCSPOAMTQ-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)/C(C)=C/C)C1 ZINC001480075464 937931854 /nfs/dbraw/zinc/93/18/54/937931854.db2.gz XZVQJCQGINARNO-KNDGBBJPSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)C1(C)CCCCC1 ZINC001480325759 937936068 /nfs/dbraw/zinc/93/60/68/937936068.db2.gz YZJKVEJHGRDQDH-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@H]2CCCC[N@@H+]2CC[C@H](C)F)C1 ZINC001480326753 937936106 /nfs/dbraw/zinc/93/61/06/937936106.db2.gz YRLFHYUFVQHGGA-LSDHHAIUSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C=C2CCCCC2)C1 ZINC001480375473 937937433 /nfs/dbraw/zinc/93/74/33/937937433.db2.gz IEPWDPHUDZQPAJ-RDJZCZTQSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C=C2CCCCC2)C1 ZINC001480375471 937937659 /nfs/dbraw/zinc/93/76/59/937937659.db2.gz IEPWDPHUDZQPAJ-DOTOQJQBSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1 ZINC001480716661 937942541 /nfs/dbraw/zinc/94/25/41/937942541.db2.gz NDSYWNJPJSPDMV-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)CCC(=C)C)C1 ZINC001480736013 937943239 /nfs/dbraw/zinc/94/32/39/937943239.db2.gz LYKHLSVZJUYEQC-MRXNPFEDSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)CCC(=O)NCCC[C@H]1CCC[N@H+]1CC1CC1 ZINC001480823299 937945189 /nfs/dbraw/zinc/94/51/89/937945189.db2.gz HHMXRKGMZCBYEU-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)C1(C)CC(=C)C1 ZINC001493136415 937947971 /nfs/dbraw/zinc/94/79/71/937947971.db2.gz SBWIGFNGUKCBLE-CVEARBPZSA-N 1 1 290.451 3.278 20 30 CGEDMO CC#CC[N@H+](CCC)CCNC(=O)[C@H]1CCC[C@H]1CCC ZINC001493300749 937948932 /nfs/dbraw/zinc/94/89/32/937948932.db2.gz RXPHMHMKSGTSFT-SJORKVTESA-N 1 1 292.467 3.054 20 30 CGEDMO C=C(Cl)C[N@H+](CCCNC(=O)[C@H]1[C@@H]2CCC[C@@H]21)C(C)C ZINC001493854868 937951589 /nfs/dbraw/zinc/95/15/89/937951589.db2.gz FFYYLACXODTVJI-FICVDOATSA-N 1 1 298.858 3.002 20 30 CGEDMO CC#CCCCC(=O)NCC[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC001494042166 937953140 /nfs/dbraw/zinc/95/31/40/937953140.db2.gz KQJZJMNDOJDCFA-KRWDZBQOSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C)CCCCC)C1 ZINC001494326709 937954412 /nfs/dbraw/zinc/95/44/12/937954412.db2.gz ZREXPMORUQMZQF-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC1(C(=O)NC2C[NH+](CC/C=C/CC)C2)CCCC1 ZINC001494511707 937955132 /nfs/dbraw/zinc/95/51/32/937955132.db2.gz VLEBDHGYHFICFP-AATRIKPKSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2cccc(C)c2)C1 ZINC001494742620 937955987 /nfs/dbraw/zinc/95/59/87/937955987.db2.gz LRIZNAOLNFFNNY-NVXWUHKLSA-N 1 1 286.419 3.154 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)CCC)C1 ZINC001494846582 937956485 /nfs/dbraw/zinc/95/64/85/937956485.db2.gz IDQRGGWVCFEJNX-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)CCC)C1 ZINC001494842962 937956509 /nfs/dbraw/zinc/95/65/09/937956509.db2.gz VZNBKZLGSFWYQR-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H](C=C)c2ccccc2)C1 ZINC001494870005 937956881 /nfs/dbraw/zinc/95/68/81/937956881.db2.gz XTAYXCPJMOCTQM-FUHWJXTLSA-N 1 1 298.430 3.065 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)C1CCC(=C)CC1 ZINC001496776482 937964046 /nfs/dbraw/zinc/96/40/46/937964046.db2.gz CIDVMWXHLZAYFX-MRXNPFEDSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)c1cccc2[nH]ccc21 ZINC001496787465 937964108 /nfs/dbraw/zinc/96/41/08/937964108.db2.gz ZYIFUNZZGCHYRK-UHFFFAOYSA-N 1 1 299.418 3.138 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)C[C@H](C)CC(C)C ZINC001496819680 937964211 /nfs/dbraw/zinc/96/42/11/937964211.db2.gz SPMCFZHWEASJRP-OAHLLOKOSA-N 1 1 268.445 3.025 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)c1oc(C)cc1C ZINC001498253588 937968760 /nfs/dbraw/zinc/96/87/60/937968760.db2.gz GGEDGTKOVUKGGJ-UONOGXRCSA-N 1 1 292.423 3.301 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@]1(C)CC=CCC1 ZINC001498296068 937968831 /nfs/dbraw/zinc/96/88/31/937968831.db2.gz ONWWBHYOQLAXDZ-NVXWUHKLSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)c1cc(C)sc1C ZINC001498333071 937969322 /nfs/dbraw/zinc/96/93/22/937969322.db2.gz TWECIOMJVKARGT-GFCCVEGCSA-N 1 1 294.464 3.381 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc(F)s1 ZINC001498466675 937969743 /nfs/dbraw/zinc/96/97/43/937969743.db2.gz WDXPSGXFOJWKQF-NEPJUHHUSA-N 1 1 298.427 3.292 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]1CNC(=O)C1(C)CCC1 ZINC001499036544 937972167 /nfs/dbraw/zinc/97/21/67/937972167.db2.gz FLRLYOHFJFBLGJ-HNNXBMFYSA-N 1 1 280.456 3.338 20 30 CGEDMO C=C(C)CCC(=O)N1CCCC[C@H]1[C@@H]1CC[N@H+](CCC)C1 ZINC001499479997 937973496 /nfs/dbraw/zinc/97/34/96/937973496.db2.gz BNAUFSIVUVNPAZ-SJORKVTESA-N 1 1 292.467 3.456 20 30 CGEDMO C#CCC[N@@H+]1CC[C@](C)(NC(=O)C[C@H](C)CCCCC)C1 ZINC001500264787 937976778 /nfs/dbraw/zinc/97/67/78/937976778.db2.gz MYALAUWALFGQTC-AEFFLSMTSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@](C)(CNC(=O)C2CCC2)C1 ZINC001500469166 937977555 /nfs/dbraw/zinc/97/75/55/937977555.db2.gz NETHHDWAWROZBD-QAPCUYQASA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)/C=C/C(C)(C)C)C1 ZINC001500482499 937977567 /nfs/dbraw/zinc/97/75/67/937977567.db2.gz WRYPNMOOEDWADU-XSFOEPMVSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1(C)CCC1)C2 ZINC001501168921 937979002 /nfs/dbraw/zinc/97/90/02/937979002.db2.gz PABRBJNYSWUHKD-MUJYYYPQSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC(=C)C ZINC001501396590 937979491 /nfs/dbraw/zinc/97/94/91/937979491.db2.gz WWKSEUSZQSFSEP-DLBZAZTESA-N 1 1 290.451 3.374 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC(C)C ZINC001501396536 937979543 /nfs/dbraw/zinc/97/95/43/937979543.db2.gz WLORGMCJZXORKG-DLBZAZTESA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@H](CC)C(C)C)[C@@H]2C1 ZINC001501427600 937979587 /nfs/dbraw/zinc/97/95/87/937979587.db2.gz UJJXNXNBRQFEHH-YESZJQIVSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC(=C)C ZINC001501396592 937979608 /nfs/dbraw/zinc/97/96/08/937979608.db2.gz WWKSEUSZQSFSEP-IAGOWNOFSA-N 1 1 290.451 3.374 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CC(=C)Cl)CC1 ZINC001502138790 937981518 /nfs/dbraw/zinc/98/15/18/937981518.db2.gz XKJGKMMZYHIUPU-CQSZACIVSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)c1ccc(F)cc1C ZINC001502392830 937982499 /nfs/dbraw/zinc/98/24/99/937982499.db2.gz XZOPMZOLXJBDBC-UHFFFAOYSA-N 1 1 292.398 3.104 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC2CCC2)CC1(C)C ZINC001502830683 937983389 /nfs/dbraw/zinc/98/33/89/937983389.db2.gz MCORDXJIMPRRSO-OAHLLOKOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccoc2C)C[C@@H]1C ZINC001502902558 937983655 /nfs/dbraw/zinc/98/36/55/937983655.db2.gz FNIANXZRDOLSGF-DZGCQCFKSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)CCCC ZINC001505420692 937984978 /nfs/dbraw/zinc/98/49/78/937984978.db2.gz ITQBDJALSHYYRV-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]1C[N@H+](C)CC[C@H](C)F ZINC001505444024 937985440 /nfs/dbraw/zinc/98/54/40/937985440.db2.gz VLLRGXMDOMGSPS-GJZGRUSLSA-N 1 1 284.419 3.014 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(Cl)o1 ZINC001505869317 937987532 /nfs/dbraw/zinc/98/75/32/937987532.db2.gz RLLFBTADRYEGJM-NEPJUHHUSA-N 1 1 298.814 3.338 20 30 CGEDMO C=C/C(C)=C\CC(=O)N1CC2(C1)CCC[N@H+](CC(=C)C)C2 ZINC001506866423 937992052 /nfs/dbraw/zinc/99/20/52/937992052.db2.gz PSDQVLCPJHEHEG-APSNUPSMSA-N 1 1 288.435 3.009 20 30 CGEDMO C=CCCC(=O)N1CCC([N@@H+](C)CC2=CCCCC2)CC1 ZINC001506954079 937993004 /nfs/dbraw/zinc/99/30/04/937993004.db2.gz AQVRTVICXKFQCC-UHFFFAOYSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C/C(C)=C\CC(=O)N1CCC([N@@H+](C)CC(=C)C)CC1 ZINC001506963724 937993374 /nfs/dbraw/zinc/99/33/74/937993374.db2.gz HLYVUNHWTJMPNE-CHHVJCJISA-N 1 1 276.424 3.008 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)CCC(C)C)CCC[C@H]12 ZINC001507336301 937995217 /nfs/dbraw/zinc/99/52/17/937995217.db2.gz RCLMQPWVJOSKHU-RDJZCZTQSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC=C(CNC(=O)[C@@H](C)C2CC2)CC1 ZINC001508199647 937998468 /nfs/dbraw/zinc/99/84/68/937998468.db2.gz IJYMDAABMKUOGE-CABCVRRESA-N 1 1 290.451 3.136 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC001525394786 938048939 /nfs/dbraw/zinc/04/89/39/938048939.db2.gz KCKTZUINVBEYSH-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC1(CC(=O)N2[C@H](C)C[N@@H+](C)[C@@H](C)[C@@H]2C)CCCCC1 ZINC001530893125 938079964 /nfs/dbraw/zinc/07/99/64/938079964.db2.gz UDPCUOBRLZJCMV-PMPSAXMXSA-N 1 1 292.467 3.453 20 30 CGEDMO CC1CC(C[N@H+]2CCCN(c3ccccc3C#N)CC2)C1 ZINC001559523993 938228561 /nfs/dbraw/zinc/22/85/61/938228561.db2.gz NBUKXPUVTCARIN-UHFFFAOYSA-N 1 1 283.419 3.116 20 30 CGEDMO C=CC[C@H](C(=O)OC)[N@H+]1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC001559554937 938229554 /nfs/dbraw/zinc/22/95/54/938229554.db2.gz OATFDMRBXLIFDJ-YQQAZPJKSA-N 1 1 287.403 3.291 20 30 CGEDMO C#CC[N@H+](CC#CC)CCc1cccc(Cl)c1Cl ZINC001559566796 938229780 /nfs/dbraw/zinc/22/97/80/938229780.db2.gz NVCGJKGXDVWVOF-UHFFFAOYSA-N 1 1 280.198 3.494 20 30 CGEDMO C#CC[N@@H+](CC#CC)CCc1cccc(Cl)c1Cl ZINC001559566796 938229781 /nfs/dbraw/zinc/22/97/81/938229781.db2.gz NVCGJKGXDVWVOF-UHFFFAOYSA-N 1 1 280.198 3.494 20 30 CGEDMO CC[C@H]1C[N@@H+](CC)CCN1Cc1ccc(Cl)cc1C#N ZINC001559835515 938237054 /nfs/dbraw/zinc/23/70/54/938237054.db2.gz MRYIASXSMSFYCF-INIZCTEOSA-N 1 1 291.826 3.128 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@H]1c1ccccc1 ZINC001560133263 938244795 /nfs/dbraw/zinc/24/47/95/938244795.db2.gz SGCGGYYQJZJTPZ-PVAVHDDUSA-N 1 1 259.393 3.397 20 30 CGEDMO C#CC[C@H]1CC[N@H+](CCO[C@@H](CC)c2ccccc2)C1 ZINC001560135972 938244951 /nfs/dbraw/zinc/24/49/51/938244951.db2.gz HCUDIIWMTYLVKS-WMZOPIPTSA-N 1 1 271.404 3.500 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC001560204628 938247145 /nfs/dbraw/zinc/24/71/45/938247145.db2.gz SMHXCYUBHKQSSQ-UHFFFAOYSA-N 1 1 293.323 3.291 20 30 CGEDMO Cc1cc(C)c2c(c1)CC[N@H+](CC1(CC#N)CC1)C2 ZINC001560241804 938248837 /nfs/dbraw/zinc/24/88/37/938248837.db2.gz XURIPYCLYGWRSD-UHFFFAOYSA-N 1 1 254.377 3.355 20 30 CGEDMO C=CCOc1cccc(C[NH2+]Cc2ccc3cncn3c2)c1 ZINC001560499500 938260600 /nfs/dbraw/zinc/26/06/00/938260600.db2.gz FKBUXMLVSDYMJN-UHFFFAOYSA-N 1 1 293.370 3.189 20 30 CGEDMO C#CC[N@H+](CC#CC)Cc1ccc(CSC)cc1 ZINC001560687257 938270208 /nfs/dbraw/zinc/27/02/08/938270208.db2.gz JFYHNPUWNRTKSP-UHFFFAOYSA-N 1 1 257.402 3.008 20 30 CGEDMO C#CC[N@@H+](CC#CC)Cc1ccc(CSC)cc1 ZINC001560687257 938270209 /nfs/dbraw/zinc/27/02/09/938270209.db2.gz JFYHNPUWNRTKSP-UHFFFAOYSA-N 1 1 257.402 3.008 20 30 CGEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CCCC(C)(C)C1 ZINC001560758668 938274327 /nfs/dbraw/zinc/27/43/27/938274327.db2.gz FWKONUZYWGHVKL-UHFFFAOYSA-N 1 1 271.408 3.246 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cccc(Cl)c1C ZINC001560807748 938277000 /nfs/dbraw/zinc/27/70/00/938277000.db2.gz NSIRVZWAYWOMLO-UHFFFAOYSA-N 1 1 253.773 3.283 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccnn2-c2ccccc2C)C1 ZINC001560901195 938282892 /nfs/dbraw/zinc/28/28/92/938282892.db2.gz NMIVIJDVACJQJW-QGZVFWFLSA-N 1 1 293.414 3.416 20 30 CGEDMO C=CCCCCC[C@H](C)[NH2+]Cc1nc(C(F)(F)F)n[nH]1 ZINC001561058481 938292652 /nfs/dbraw/zinc/29/26/52/938292652.db2.gz SAKFNNDKHIEUEV-JTQLQIEISA-N 1 1 290.333 3.438 20 30 CGEDMO C=C1CCC(C(=O)NCC[N@H+](CC)C[C@H](C)CC)CC1 ZINC001480998558 957699928 /nfs/dbraw/zinc/69/99/28/957699928.db2.gz RSFRUHVXWBTJCG-CQSZACIVSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)c1cccc(F)c1Cl ZINC001481000910 957700140 /nfs/dbraw/zinc/70/01/40/957700140.db2.gz IPKPCJWIJUTHTE-UHFFFAOYSA-N 1 1 298.789 3.107 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)c1cc2occc2s1 ZINC001493023717 957849287 /nfs/dbraw/zinc/84/92/87/957849287.db2.gz YSUJMEXNVDEPRV-UHFFFAOYSA-N 1 1 292.404 3.122 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)CC1CC(C)(C)C1 ZINC001493130498 957897442 /nfs/dbraw/zinc/89/74/42/957897442.db2.gz WOBZGJKBSTWYOE-CQSZACIVSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)CC1CC(C)(C)C1 ZINC001493130498 957897458 /nfs/dbraw/zinc/89/74/58/957897458.db2.gz WOBZGJKBSTWYOE-CQSZACIVSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)CC1=CCCCC1 ZINC001570701633 960457396 /nfs/dbraw/zinc/45/73/96/960457396.db2.gz BYTDOJHKBOERKG-OAHLLOKOSA-N 1 1 278.440 3.280 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)c1ccc(C)s1 ZINC001570523570 960460887 /nfs/dbraw/zinc/46/08/87/960460887.db2.gz JOMVGMGGZQSTLF-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)c1sccc1C1CC1 ZINC001567352412 960594820 /nfs/dbraw/zinc/59/48/20/960594820.db2.gz OYGPFEHYFHTLJM-UHFFFAOYSA-N 1 1 292.448 3.253 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)CCCCC(C)C)[C@H]1CC ZINC001566024708 960870268 /nfs/dbraw/zinc/87/02/68/960870268.db2.gz QHPPGFNSDHFBSG-JKSUJKDBSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[N@@H+](CC=C(C)C)[C@@H]1C ZINC001566090697 960885729 /nfs/dbraw/zinc/88/57/29/960885729.db2.gz YRLYRSPIYSQFRV-CABCVRRESA-N 1 1 278.440 3.134 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C[C@@H](CC)C(C)C)C1 ZINC001566679434 960981991 /nfs/dbraw/zinc/98/19/91/960981991.db2.gz UASJUTUOWVJPRI-HZPDHXFCSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](C[N@@H+](C)CC(=C)C)C1 ZINC001566743336 961005295 /nfs/dbraw/zinc/00/52/95/961005295.db2.gz LXADTDYQXJWCSV-WMZOPIPTSA-N 1 1 292.467 3.335 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)C1CCC1 ZINC001566923774 961065704 /nfs/dbraw/zinc/06/57/04/961065704.db2.gz ZIDYLSYPCRBGCZ-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC1(CC(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)CCCCC1 ZINC001566988929 961086469 /nfs/dbraw/zinc/08/64/69/961086469.db2.gz GWGWRDOZPPJTOT-LSDHHAIUSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCCC[C@@H]1CCC[N@@H+]1CCC ZINC001567260965 961152483 /nfs/dbraw/zinc/15/24/83/961152483.db2.gz FIGCYXMRCAAIRC-NVXWUHKLSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)C1(F)CCCC1 ZINC001567253993 961158412 /nfs/dbraw/zinc/15/84/12/961158412.db2.gz HVLAYDCEBGFSMQ-OAHLLOKOSA-N 1 1 296.430 3.206 20 30 CGEDMO C=C(C)C[N@@H+](C)CCNC(=O)c1cc(C)c(Cl)cc1C ZINC001567296477 961269417 /nfs/dbraw/zinc/26/94/17/961269417.db2.gz LPZPPPPZBWPOLD-UHFFFAOYSA-N 1 1 294.826 3.195 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC[N@H+](CC)CCC(C)C ZINC001567341587 961286098 /nfs/dbraw/zinc/28/60/98/961286098.db2.gz ILKXQZZNZKSZCA-UHFFFAOYSA-N 1 1 268.445 3.073 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+]1CCCC(C)C ZINC001567377005 961311563 /nfs/dbraw/zinc/31/15/63/961311563.db2.gz SEBHZTBLUGTAEC-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C=C)c1ccccc1 ZINC001567391465 961315955 /nfs/dbraw/zinc/31/59/55/961315955.db2.gz PLOQPLBTDOOIKZ-ZWKOTPCHSA-N 1 1 298.430 3.113 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](CNC(=O)C2(C)CC(=C)C2)C1 ZINC001567410106 961325302 /nfs/dbraw/zinc/32/53/02/961325302.db2.gz VKNWVZVDYDVOQM-HOTGVXAUSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](CNC(=O)C(C)=C2CCCC2)C1 ZINC001567397575 961326585 /nfs/dbraw/zinc/32/65/85/961326585.db2.gz YENKTSVYYAPMBU-MRXNPFEDSA-N 1 1 290.451 3.281 20 30 CGEDMO CC#CC[N@@H+](CCC)CCNC(=O)CCC1CCCCC1 ZINC001567433319 961344891 /nfs/dbraw/zinc/34/48/91/961344891.db2.gz XHVLXSKLQTXKRN-UHFFFAOYSA-N 1 1 292.467 3.198 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CCNC(=O)[C@H]1CCC1(C)C)C1CC1 ZINC001567448182 961351181 /nfs/dbraw/zinc/35/11/81/961351181.db2.gz GWFRXJOLBHOZDW-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CCNC(=O)[C@@H]1CCC1(C)C)C1CC1 ZINC001567448185 961357100 /nfs/dbraw/zinc/35/71/00/961357100.db2.gz GWFRXJOLBHOZDW-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCC(=O)N(CCC)[C@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001567681308 961396570 /nfs/dbraw/zinc/39/65/70/961396570.db2.gz OYCYBBGUHHAPDC-INIZCTEOSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)C[C@H](C)CC)C1 ZINC001567698072 961403055 /nfs/dbraw/zinc/40/30/55/961403055.db2.gz KLFVHGBNVVXLBL-OCCSQVGLSA-N 1 1 286.847 3.003 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H](C)CCC)C1 ZINC001567696498 961403245 /nfs/dbraw/zinc/40/32/45/961403245.db2.gz OEAXKCVICISQAY-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001567706590 961408996 /nfs/dbraw/zinc/40/89/96/961408996.db2.gz WQLQYOCPTILIFH-BZUAXINKSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)/C=C\C(C)(C)C)C1 ZINC001567695426 961410220 /nfs/dbraw/zinc/41/02/20/961410220.db2.gz BJXHRVNZPOWLOO-BMWLXYDHSA-N 1 1 298.858 3.169 20 30 CGEDMO C=C(C)CC[N@H+](C)CC1CCN(C(=O)CCCC)CC1 ZINC001567744446 961413772 /nfs/dbraw/zinc/41/37/72/961413772.db2.gz JXYFRZNXGOQDPR-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)/C=C\C(C)(C)C)C1 ZINC001567786412 961424079 /nfs/dbraw/zinc/42/40/79/961424079.db2.gz JUVNDYCFFFPVDC-KHPPLWFESA-N 1 1 280.456 3.360 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1CCC[N@H+](CCCCC)C1 ZINC001567765241 961426394 /nfs/dbraw/zinc/42/63/94/961426394.db2.gz OBHYRSSBJFYERT-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@](C)(F)CCCC)C1 ZINC001567764538 961428967 /nfs/dbraw/zinc/42/89/67/961428967.db2.gz KJQJLPXNZYQLTM-ZBFHGGJFSA-N 1 1 284.419 3.062 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)C(CC(C)C)CC(C)C)C1 ZINC001567928371 961460438 /nfs/dbraw/zinc/46/04/38/961460438.db2.gz HPBZLUJHJHNQJU-QGZVFWFLSA-N 1 1 294.483 3.414 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)CC2CC(C)(C)C2)C1 ZINC001567920980 961468084 /nfs/dbraw/zinc/46/80/84/961468084.db2.gz OSJADCPWJVQMQB-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)C1CC(C(C)(C)C)C1 ZINC001568507187 961606520 /nfs/dbraw/zinc/60/65/20/961606520.db2.gz YOJNIVSOOAZIBO-UHFFFAOYSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC[N@@H+](C)C2(CCCCC2)C1 ZINC001569328591 961738127 /nfs/dbraw/zinc/73/81/27/961738127.db2.gz QKNMBKPZLGHCOC-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CNC(=O)CCCC1CCCCC1 ZINC001569384338 961746746 /nfs/dbraw/zinc/74/67/46/961746746.db2.gz ITGSOQDFJLBHSC-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@H+]1CC[C@H]1CNC(=O)CCCC1CCCCC1 ZINC001569384338 961746755 /nfs/dbraw/zinc/74/67/55/961746755.db2.gz ITGSOQDFJLBHSC-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(CC)s1 ZINC001569364776 961756897 /nfs/dbraw/zinc/75/68/97/961756897.db2.gz OWAULBAGRBZHDO-CYBMUJFWSA-N 1 1 292.448 3.081 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@]1(C)CC=C(C)CC1 ZINC001569383807 961757459 /nfs/dbraw/zinc/75/74/59/961757459.db2.gz XZVVTTCWFXKLNA-FUHWJXTLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CCC(=O)N1CCC([N@@H+](CCC)CC2CC2)CC1 ZINC001569451590 961765525 /nfs/dbraw/zinc/76/55/25/961765525.db2.gz DBHJAIBGAZXYRY-UHFFFAOYSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)/C=C(/C)CC ZINC001569446288 961770043 /nfs/dbraw/zinc/77/00/43/961770043.db2.gz JRZJLHGVOWHDQT-PVBRJXJSSA-N 1 1 296.842 3.161 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)/C=C(/C)CC ZINC001569446288 961770053 /nfs/dbraw/zinc/77/00/53/961770053.db2.gz JRZJLHGVOWHDQT-PVBRJXJSSA-N 1 1 296.842 3.161 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)CC2CCC(C)(C)CC2)C1 ZINC001569657288 961820882 /nfs/dbraw/zinc/82/08/82/961820882.db2.gz WMJIUBGYLJEEDS-SFHVURJKSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)C(CC)CC)C1 ZINC001569710628 961827233 /nfs/dbraw/zinc/82/72/33/961827233.db2.gz WMYAXXISODLQHP-KRWDZBQOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](CCC(C)C)C[C@@H]2C1 ZINC001569879712 961863176 /nfs/dbraw/zinc/86/31/76/961863176.db2.gz CJTLSQXLSFPEPN-IYBDPMFKSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1(CCC)CC1 ZINC001569912810 961877518 /nfs/dbraw/zinc/87/75/18/961877518.db2.gz KCDVEZUZWQUZQR-CVEARBPZSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C)CC)CC1 ZINC001570175588 961918680 /nfs/dbraw/zinc/91/86/80/961918680.db2.gz XMVPTXIISGXYEK-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C/C=C(\C)C=C)CC1 ZINC001570182304 961925718 /nfs/dbraw/zinc/92/57/18/961925718.db2.gz ZTVASDMDBNVVPP-BRVCPTFNSA-N 1 1 290.451 3.446 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@@H](C)c1ccc(C)o1 ZINC001570212218 961936495 /nfs/dbraw/zinc/93/64/95/961936495.db2.gz YKVPJSOISGVYMO-HNNXBMFYSA-N 1 1 292.423 3.048 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H](C)CCC)C2 ZINC001570271211 961940062 /nfs/dbraw/zinc/94/00/62/961940062.db2.gz DENTUORPHSVMIB-SJLPKXTDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H](NC(=O)CCC=C)C(C)(C)C1 ZINC001570392218 961957559 /nfs/dbraw/zinc/95/75/59/961957559.db2.gz YWCJRDSMISDTTA-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](CCCCCF)[C@H](C)C1 ZINC001570438122 961968451 /nfs/dbraw/zinc/96/84/51/961968451.db2.gz VUDQLMMRSALXJL-CVEARBPZSA-N 1 1 298.446 3.452 20 30 CGEDMO C=CC[N@H+](CC)CC1CCN(C(=O)[C@H](C)C(C)(C)C)CC1 ZINC001570501652 961975014 /nfs/dbraw/zinc/97/50/14/961975014.db2.gz RNZBTKULMBOICR-HNNXBMFYSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H](C)[N@@H+](C)CCC(C)(C)C ZINC001570714118 962065056 /nfs/dbraw/zinc/06/50/56/962065056.db2.gz IDTPJPWZVQRSEE-CQSZACIVSA-N 1 1 268.445 3.215 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001570710172 962065260 /nfs/dbraw/zinc/06/52/60/962065260.db2.gz CUVZNWUTYBENEW-MRXNPFEDSA-N 1 1 294.483 3.443 20 30 CGEDMO C#CC[N@H+](C)[C@@H](C)CNC(=O)[C@H](CC)CC1CCCCC1 ZINC001570740672 962075829 /nfs/dbraw/zinc/07/58/29/962075829.db2.gz UHGFQTHDNGLAQR-DOTOQJQBSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)CCCCC)C(C)(C)C1 ZINC001570905234 962104729 /nfs/dbraw/zinc/10/47/29/962104729.db2.gz PUHXFWQGQAKZPV-JKSUJKDBSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC2CCCC2)CC1(C)C ZINC001570902262 962106306 /nfs/dbraw/zinc/10/63/06/962106306.db2.gz OWMJYVQYBNJNSV-OAHLLOKOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@]2(C)CN(C(=O)C(C)C)C[C@@]2(C)C1 ZINC001571053610 962113696 /nfs/dbraw/zinc/11/36/96/962113696.db2.gz QFDCJLNQSWPJGK-RYQLBKOJSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CCC(=O)N1CC2(C1)CCC[N@@H+](C/C=C/Cl)C2 ZINC001571035122 962120697 /nfs/dbraw/zinc/12/06/97/962120697.db2.gz AEFMFBCYAVGNGO-XBXARRHUSA-N 1 1 296.842 3.020 20 30 CGEDMO CC#CC[N@H+](C)C1CCN(C(=O)[C@H](C)C(CC)CC)CC1 ZINC001571332156 962131068 /nfs/dbraw/zinc/13/10/68/962131068.db2.gz UULHYVAFNPBGNZ-OAHLLOKOSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC([N@@H+](C)CC(=C)C)CC1 ZINC001571333272 962131870 /nfs/dbraw/zinc/13/18/70/962131870.db2.gz KXYNJGVTSZPGGA-HNNXBMFYSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)CC(C)(C)C)CCC[C@H]12 ZINC001571494577 962165239 /nfs/dbraw/zinc/16/52/39/962165239.db2.gz FSQOGJOVYRVHTI-YOEHRIQHSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)/C(C)=C/CC)CCC[C@@H]12 ZINC001571497807 962171679 /nfs/dbraw/zinc/17/16/79/962171679.db2.gz WCPZBLPGUYCGIG-COMXJMLLSA-N 1 1 296.842 3.208 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)/C(C)=C/CC)CCC[C@@H]12 ZINC001571497807 962171693 /nfs/dbraw/zinc/17/16/93/962171693.db2.gz WCPZBLPGUYCGIG-COMXJMLLSA-N 1 1 296.842 3.208 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)[C@H]1C[C@H](C)C[C@H](C)C1)C(C)C ZINC001571617050 962198244 /nfs/dbraw/zinc/19/82/44/962198244.db2.gz SSWMMCLFUAHBSZ-FVQHAEBGSA-N 1 1 294.483 3.414 20 30 CGEDMO CC#CCCCC(=O)Nc1c[nH+]ccc1Nc1ccccc1 ZINC001583282036 962785797 /nfs/dbraw/zinc/78/57/97/962785797.db2.gz QZNVKSFGVBUMPR-UHFFFAOYSA-N 1 1 293.370 3.379 20 30 CGEDMO C=C(C[NH2+]Cc1ccc2nc[nH]c2c1)c1ccccc1 ZINC000589646260 346806912 /nfs/dbraw/zinc/80/69/12/346806912.db2.gz SOBGFUWOIVFOJF-UHFFFAOYSA-N 1 1 263.344 3.366 20 30 CGEDMO C=CC[NH+](CC=C)[C@@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000297856782 260135773 /nfs/dbraw/zinc/13/57/73/260135773.db2.gz LQGROCIQWILNON-LBPRGKRZSA-N 1 1 263.337 3.110 20 30 CGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000127769206 187331862 /nfs/dbraw/zinc/33/18/62/187331862.db2.gz VEKDRDMDUCWTGH-KFWWJZLASA-N 1 1 299.418 3.253 20 30 CGEDMO C[N@@H+](CCNc1ccc(C#N)cc1F)Cc1ccccc1 ZINC000337651152 214197453 /nfs/dbraw/zinc/19/74/53/214197453.db2.gz LNCWFGSCEHLTMJ-UHFFFAOYSA-N 1 1 283.350 3.241 20 30 CGEDMO N#CCCOCC[N@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000590166158 346834189 /nfs/dbraw/zinc/83/41/89/346834189.db2.gz ZAPBGZZCJQHSJF-INIZCTEOSA-N 1 1 297.402 3.278 20 30 CGEDMO C[N@@H+](C[C@@H]1CCOc2ccccc21)CC(C)(C)C#N ZINC000590372037 346844524 /nfs/dbraw/zinc/84/45/24/346844524.db2.gz LMCAZHRMTDMAJK-ZDUSSCGKSA-N 1 1 258.365 3.034 20 30 CGEDMO Cc1ccc(C[N@@H+](C)Cc2ccc(CC#N)cc2)nc1 ZINC000590754451 346871992 /nfs/dbraw/zinc/87/19/92/346871992.db2.gz AJFWNLQMWMSFAA-UHFFFAOYSA-N 1 1 265.360 3.088 20 30 CGEDMO CC(C)[N@@H+](Cc1ccnc(C#N)c1)C1CC(C)(C)C1 ZINC000590765776 346873170 /nfs/dbraw/zinc/87/31/70/346873170.db2.gz GKYIYAFWJFKXFU-UHFFFAOYSA-N 1 1 257.381 3.352 20 30 CGEDMO CC[C@@H]1C[C@@H](C[N@@H+](C)Cc2ccc(C#N)cc2)CCO1 ZINC000356895238 529425459 /nfs/dbraw/zinc/42/54/59/529425459.db2.gz TUYZLMRIHVUERP-DLBZAZTESA-N 1 1 272.392 3.195 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](C3CCC3)C2)c(F)c1 ZINC000591061859 346897610 /nfs/dbraw/zinc/89/76/10/346897610.db2.gz KZAOAMYOIDUOMB-AWEZNQCLSA-N 1 1 258.340 3.319 20 30 CGEDMO N#Cc1cnccc1C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000592055154 346958175 /nfs/dbraw/zinc/95/81/75/346958175.db2.gz JPNSQBPOFFDNRV-UHFFFAOYSA-N 1 1 293.370 3.038 20 30 CGEDMO C[N@@H+]1CC[C@H](NCc2ccccc2C#N)[C@H]1c1ccccc1 ZINC000366989017 529806730 /nfs/dbraw/zinc/80/67/30/529806730.db2.gz VQNFAQCWGJVNAM-RBUKOAKNSA-N 1 1 291.398 3.093 20 30 CGEDMO C[N@H+]1CC[C@H](NCc2ccccc2C#N)[C@H]1c1ccccc1 ZINC000366989017 529806731 /nfs/dbraw/zinc/80/67/31/529806731.db2.gz VQNFAQCWGJVNAM-RBUKOAKNSA-N 1 1 291.398 3.093 20 30 CGEDMO Cc1ccccc1[C@@H](C)[N@H+](C)Cc1ccncc1C#N ZINC000592062788 346958507 /nfs/dbraw/zinc/95/85/07/346958507.db2.gz FBBKKBDQEACJCE-CQSZACIVSA-N 1 1 265.360 3.455 20 30 CGEDMO Cc1ccccc1[C@@H](C)[N@@H+](C)Cc1ccncc1C#N ZINC000592062788 346958511 /nfs/dbraw/zinc/95/85/11/346958511.db2.gz FBBKKBDQEACJCE-CQSZACIVSA-N 1 1 265.360 3.455 20 30 CGEDMO COc1ccc([C@@H]([NH2+]Cc2ccncc2C#N)C2CC2)cc1 ZINC000592097785 346962268 /nfs/dbraw/zinc/96/22/68/346962268.db2.gz KVWKKWJEOCTWBW-SFHVURJKSA-N 1 1 293.370 3.203 20 30 CGEDMO N#Cc1cnccc1C[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000592069489 346958942 /nfs/dbraw/zinc/95/89/42/346958942.db2.gz RIUOSIWHGJKHBX-KRWDZBQOSA-N 1 1 291.398 3.408 20 30 CGEDMO CC(C)[C@@H]1CCC[N@@H+](Cc2ccncc2C#N)CC1 ZINC000592070235 346960684 /nfs/dbraw/zinc/96/06/84/346960684.db2.gz IPCGIVHSQILPBR-CQSZACIVSA-N 1 1 257.381 3.211 20 30 CGEDMO C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592151839 346967697 /nfs/dbraw/zinc/96/76/97/346967697.db2.gz RSDVIQVELOOVJU-RDTXWAMCSA-N 1 1 286.419 3.396 20 30 CGEDMO CC1(C)CCC[C@H]1[C@@H]1CC[N@@H+](CCOCCC#N)C1 ZINC000592154318 346967786 /nfs/dbraw/zinc/96/77/86/346967786.db2.gz PEFQKNZNSDQZLY-CABCVRRESA-N 1 1 264.413 3.065 20 30 CGEDMO CC[N@@H+](Cc1ccncc1C#N)[C@H](C)Cc1ccsc1 ZINC000592107014 346963678 /nfs/dbraw/zinc/96/36/78/346963678.db2.gz CLYODMHJQKPZCH-CYBMUJFWSA-N 1 1 285.416 3.468 20 30 CGEDMO N#Cc1cnccc1C[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000592198493 346971548 /nfs/dbraw/zinc/97/15/48/346971548.db2.gz KVMJJCCHSGACBC-MRXNPFEDSA-N 1 1 255.365 3.108 20 30 CGEDMO C[C@H]1CC2(C[N@H+]1Cc1ccc(C#N)c(F)c1)CCOCC2 ZINC000592182551 346970605 /nfs/dbraw/zinc/97/06/05/346970605.db2.gz DCSVOEKLFRRJIG-ZDUSSCGKSA-N 1 1 288.366 3.088 20 30 CGEDMO C[N@@H+](CCCCNc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000413343205 529884314 /nfs/dbraw/zinc/88/43/14/529884314.db2.gz AHYLZWFMTLWNLN-UHFFFAOYSA-N 1 1 277.799 3.498 20 30 CGEDMO COc1ccc(C[NH+]2CC(C)(CC(F)F)C2)cc1C#N ZINC000592522403 346995565 /nfs/dbraw/zinc/99/55/65/346995565.db2.gz APOCJGXCGZSWNS-UHFFFAOYSA-N 1 1 280.318 3.044 20 30 CGEDMO CC[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccccc1F ZINC000593064759 347034447 /nfs/dbraw/zinc/03/44/47/347034447.db2.gz OOQZVZIYUJNQMG-WFASDCNBSA-N 1 1 259.328 3.310 20 30 CGEDMO C[C@H]1C[N@H+](C[C@H](C#N)CCC#N)CCc2ccc(F)cc21 ZINC000593117513 347042223 /nfs/dbraw/zinc/04/22/23/347042223.db2.gz YFOGCGMHIYVNFP-KBPBESRZSA-N 1 1 285.366 3.231 20 30 CGEDMO C[C@H]1C[N@@H+](C[C@H](C#N)CCC#N)CCc2ccc(F)cc21 ZINC000593117513 347042225 /nfs/dbraw/zinc/04/22/25/347042225.db2.gz YFOGCGMHIYVNFP-KBPBESRZSA-N 1 1 285.366 3.231 20 30 CGEDMO CN1CC[N@@H+](CCCC(C)(C)C#N)[C@@H](Cc2ccccc2)C1 ZINC000593090872 347038454 /nfs/dbraw/zinc/03/84/54/347038454.db2.gz YUZHYTMOYQBYGH-SFHVURJKSA-N 1 1 299.462 3.175 20 30 CGEDMO Cc1cc(C[N@H+]2C[C@@H](C)OCC23CCC3)ccc1C#N ZINC000593092077 347038716 /nfs/dbraw/zinc/03/87/16/347038716.db2.gz MIORRKXYLJOXNS-CQSZACIVSA-N 1 1 270.376 3.010 20 30 CGEDMO Cc1cc(C[N@@H+]2C[C@@H](C)OCC23CCC3)ccc1C#N ZINC000593092077 347038720 /nfs/dbraw/zinc/03/87/20/347038720.db2.gz MIORRKXYLJOXNS-CQSZACIVSA-N 1 1 270.376 3.010 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1Cl)[C@H](CO)C(C)(C)C ZINC000439455845 529984191 /nfs/dbraw/zinc/98/41/91/529984191.db2.gz WEIVQTMGACFTCF-CQSZACIVSA-N 1 1 280.799 3.050 20 30 CGEDMO CC[N@H+](CC(=O)Nc1sccc1C#N)Cc1ccccc1 ZINC000007445384 344868443 /nfs/dbraw/zinc/86/84/43/344868443.db2.gz VVIOVVKWNQBGGG-UHFFFAOYSA-N 1 1 299.399 3.080 20 30 CGEDMO CC[N@@H+](CC(=O)Nc1sccc1C#N)Cc1ccccc1 ZINC000007445384 344868445 /nfs/dbraw/zinc/86/84/45/344868445.db2.gz VVIOVVKWNQBGGG-UHFFFAOYSA-N 1 1 299.399 3.080 20 30 CGEDMO Cc1cc([C@@H]2CCC[N@@H+]2CCOc2ccc(C#N)cc2)no1 ZINC000044590371 345014204 /nfs/dbraw/zinc/01/42/04/345014204.db2.gz AMAYVIYSTLPODQ-KRWDZBQOSA-N 1 1 297.358 3.071 20 30 CGEDMO Cc1cc([C@@H]2CCC[N@H+]2CCOc2ccc(C#N)cc2)no1 ZINC000044590371 345014205 /nfs/dbraw/zinc/01/42/05/345014205.db2.gz AMAYVIYSTLPODQ-KRWDZBQOSA-N 1 1 297.358 3.071 20 30 CGEDMO N#Cc1ccc(N[C@@H]2CC[N@H+](C3CC3)C2)cc1C(F)(F)F ZINC000044679002 345014733 /nfs/dbraw/zinc/01/47/33/345014733.db2.gz JPZDSFUHSKBEMR-GFCCVEGCSA-N 1 1 295.308 3.226 20 30 CGEDMO N#Cc1cc(C(F)(F)F)ccc1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000044679005 345015159 /nfs/dbraw/zinc/01/51/59/345015159.db2.gz ONTTXACZFVFALL-LBPRGKRZSA-N 1 1 295.308 3.226 20 30 CGEDMO CC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C1CCCC1 ZINC000047966734 345057992 /nfs/dbraw/zinc/05/79/92/345057992.db2.gz BEZJAGMUJZXTHJ-UHFFFAOYSA-N 1 1 299.418 3.198 20 30 CGEDMO CC(C)C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C1CC1 ZINC000051735226 345091970 /nfs/dbraw/zinc/09/19/70/345091970.db2.gz STXAOEFSZROJRY-UHFFFAOYSA-N 1 1 299.418 3.054 20 30 CGEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ncccc2C#N)C1 ZINC000053580505 345122902 /nfs/dbraw/zinc/12/29/02/345122902.db2.gz XAVPLHUWTMQWOX-YOEHRIQHSA-N 1 1 292.386 3.201 20 30 CGEDMO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(C#N)cc1F ZINC000053906515 345126205 /nfs/dbraw/zinc/12/62/05/345126205.db2.gz YVESHHXJBHMSCA-UHFFFAOYSA-N 1 1 298.317 3.058 20 30 CGEDMO C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(C#N)cc1F ZINC000053906515 345126208 /nfs/dbraw/zinc/12/62/08/345126208.db2.gz YVESHHXJBHMSCA-UHFFFAOYSA-N 1 1 298.317 3.058 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000054993322 345142101 /nfs/dbraw/zinc/14/21/01/345142101.db2.gz NOPWOEKXUMBMCY-QGZVFWFLSA-N 1 1 284.403 3.024 20 30 CGEDMO CC[N@@H+](Cc1ccc(OC(F)F)cc1)C[C@@H](C)C#N ZINC000064248895 345258636 /nfs/dbraw/zinc/25/86/36/345258636.db2.gz PSJRKHMFPDVNHO-NSHDSACASA-N 1 1 268.307 3.270 20 30 CGEDMO CC[N@H+](Cc1ccc(OC(F)F)cc1)C[C@@H](C)C#N ZINC000064248895 345258638 /nfs/dbraw/zinc/25/86/38/345258638.db2.gz PSJRKHMFPDVNHO-NSHDSACASA-N 1 1 268.307 3.270 20 30 CGEDMO COc1ccc2[nH]cc(C3CC[NH+](CCC#N)CC3)c2c1 ZINC000066436865 345294891 /nfs/dbraw/zinc/29/48/91/345294891.db2.gz ZMPMWBVFKBUMFQ-UHFFFAOYSA-N 1 1 283.375 3.270 20 30 CGEDMO COc1ccc(C2CC[NH+](C[C@H](C#N)CCC#N)CC2)cc1 ZINC000072914678 345420824 /nfs/dbraw/zinc/42/08/24/345420824.db2.gz VCDRDIFDGYTQMF-HNNXBMFYSA-N 1 1 297.402 3.318 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](C#N)CCC#N ZINC000076496365 345545018 /nfs/dbraw/zinc/54/50/18/345545018.db2.gz UUXJSWDCCWEDQB-QGZVFWFLSA-N 1 1 280.375 3.214 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](C#N)CCC#N ZINC000076496365 345545025 /nfs/dbraw/zinc/54/50/25/345545025.db2.gz UUXJSWDCCWEDQB-QGZVFWFLSA-N 1 1 280.375 3.214 20 30 CGEDMO CC[C@H]1C[C@H](C)C[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000080747831 345685871 /nfs/dbraw/zinc/68/58/71/345685871.db2.gz WCUBKIHWRCXDSW-BBRMVZONSA-N 1 1 285.391 3.007 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000080974158 345693454 /nfs/dbraw/zinc/69/34/54/345693454.db2.gz YULJIZGPYWYBFV-BBRMVZONSA-N 1 1 280.375 3.222 20 30 CGEDMO C=C(C)COCCNC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000090450904 345787949 /nfs/dbraw/zinc/78/79/49/345787949.db2.gz XDEFJPYWHRQHOJ-SJLPKXTDSA-N 1 1 294.483 3.212 20 30 CGEDMO CC[N@H+](CCC(F)(F)F)Cc1cc(C#N)cs1 ZINC000092753873 345857309 /nfs/dbraw/zinc/85/73/09/345857309.db2.gz OVGDNDMWFBFAKB-UHFFFAOYSA-N 1 1 262.300 3.394 20 30 CGEDMO CC[N@@H+](CCC(F)(F)F)Cc1cc(C#N)cs1 ZINC000092753873 345857311 /nfs/dbraw/zinc/85/73/11/345857311.db2.gz OVGDNDMWFBFAKB-UHFFFAOYSA-N 1 1 262.300 3.394 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2cc(F)c(F)c(F)c2)c(F)c1 ZINC000105642555 345928793 /nfs/dbraw/zinc/92/87/93/345928793.db2.gz AVSZBDIIYWZZHB-UHFFFAOYSA-N 1 1 294.251 3.404 20 30 CGEDMO C=CC1CC[NH+](CC(=O)Nc2cccc(Cl)c2C)CC1 ZINC000111257847 345948380 /nfs/dbraw/zinc/94/83/80/345948380.db2.gz OBXAWTBSKAKUNH-UHFFFAOYSA-N 1 1 292.810 3.485 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000141199697 346107724 /nfs/dbraw/zinc/10/77/24/346107724.db2.gz YHWKCVDCILJBJA-ZDUSSCGKSA-N 1 1 253.349 3.043 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000141200732 346107842 /nfs/dbraw/zinc/10/78/42/346107842.db2.gz PSIJQXWIWJIBPK-OKILXGFUSA-N 1 1 267.376 3.289 20 30 CGEDMO Cc1nc2c(s1)[C@H]([N@@H+](C)CCCSCC#N)CCC2 ZINC000072518071 260276569 /nfs/dbraw/zinc/27/65/69/260276569.db2.gz VWSDTLCQXRQQDA-CYBMUJFWSA-N 1 1 295.477 3.408 20 30 CGEDMO CCO[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000162886776 346179866 /nfs/dbraw/zinc/17/98/66/346179866.db2.gz IOHAMEKSFZHDLD-AWEZNQCLSA-N 1 1 278.783 3.213 20 30 CGEDMO CCO[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000162886776 346179870 /nfs/dbraw/zinc/17/98/70/346179870.db2.gz IOHAMEKSFZHDLD-AWEZNQCLSA-N 1 1 278.783 3.213 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000246727292 346364065 /nfs/dbraw/zinc/36/40/65/346364065.db2.gz VRYNTIMWGKKBPU-ZNMIVQPWSA-N 1 1 266.429 3.062 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cnc([C@H](C)O)s1 ZINC000290147047 346424619 /nfs/dbraw/zinc/42/46/19/346424619.db2.gz WIIKSRXVPBNCAD-LBPRGKRZSA-N 1 1 268.426 3.375 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2Cl)CCCO1 ZINC000311969760 346475573 /nfs/dbraw/zinc/47/55/73/346475573.db2.gz AZBVCZDIXFPGDI-UHFFFAOYSA-N 1 1 278.783 3.213 20 30 CGEDMO C[N@@H+](CCCOCc1ccccc1)[C@H]1CCC[C@@H]1C#N ZINC000384287731 346563814 /nfs/dbraw/zinc/56/38/14/346563814.db2.gz UBYPIUUNCGOZGZ-SJORKVTESA-N 1 1 272.392 3.217 20 30 CGEDMO CCOc1ccccc1OCC[N@H+]1CCC[C@H](CC#N)C1 ZINC000397580524 346583283 /nfs/dbraw/zinc/58/32/83/346583283.db2.gz HLJJHDLEGIMGNX-OAHLLOKOSA-N 1 1 288.391 3.090 20 30 CGEDMO C[C@@H]1CN(CCCC#N)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000404440400 346599839 /nfs/dbraw/zinc/59/98/39/346599839.db2.gz UHFXKKCNWAFPOJ-BRWVUGGUSA-N 1 1 285.435 3.273 20 30 CGEDMO C[C@@H]1C[N@H+](CCCC#N)[C@H](C)[C@@H](C)N1Cc1ccccc1 ZINC000404440400 346599842 /nfs/dbraw/zinc/59/98/42/346599842.db2.gz UHFXKKCNWAFPOJ-BRWVUGGUSA-N 1 1 285.435 3.273 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCC#N)[C@H](C)[C@@H](C)N1Cc1ccccc1 ZINC000404440400 346599843 /nfs/dbraw/zinc/59/98/43/346599843.db2.gz UHFXKKCNWAFPOJ-BRWVUGGUSA-N 1 1 285.435 3.273 20 30 CGEDMO COCC[N@@H+](CCc1ccccc1)Cc1cccc(C#N)c1 ZINC000339238411 215031664 /nfs/dbraw/zinc/03/16/64/215031664.db2.gz WBOUTKLJNAOPJL-UHFFFAOYSA-N 1 1 294.398 3.249 20 30 CGEDMO CC(C)O[C@@H]1CC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000584778396 346713817 /nfs/dbraw/zinc/71/38/17/346713817.db2.gz YZUFPOUMEXZYLU-CZUORRHYSA-N 1 1 258.365 3.119 20 30 CGEDMO CC[N@@H+](C)C[C@H]1CCN([C@H](C#N)c2ccc(Cl)cc2)C1 ZINC000585719899 346727240 /nfs/dbraw/zinc/72/72/40/346727240.db2.gz ZRDNZVVURYXTQI-CZUORRHYSA-N 1 1 291.826 3.178 20 30 CGEDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)CCCCCC#N ZINC000588335995 346760145 /nfs/dbraw/zinc/76/01/45/346760145.db2.gz OYTKSDPKXUMLMU-INIZCTEOSA-N 1 1 293.455 3.231 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000589278466 346792180 /nfs/dbraw/zinc/79/21/80/346792180.db2.gz SJWOERKQWQKRNI-LBPRGKRZSA-N 1 1 264.319 3.344 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)CCc2ccccc21 ZINC000594014716 347137152 /nfs/dbraw/zinc/13/71/52/347137152.db2.gz JEWDAOGTCCGWFI-CQSZACIVSA-N 1 1 277.371 3.115 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCCCC[C@@H]1CO ZINC000594016620 347138018 /nfs/dbraw/zinc/13/80/18/347138018.db2.gz ALGIZHDWHZZUIJ-MRXNPFEDSA-N 1 1 286.419 3.225 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]2CC2CCCC2)ccn1 ZINC000594052036 347145144 /nfs/dbraw/zinc/14/51/44/347145144.db2.gz CXLMHJIBKZTSDT-QGZVFWFLSA-N 1 1 269.392 3.498 20 30 CGEDMO CCOC(=O)CC[N@@H+](Cc1ccc(C#N)c(C)c1)C(C)C ZINC000594053692 347146292 /nfs/dbraw/zinc/14/62/92/347146292.db2.gz OAFQTCLGJLVLJA-UHFFFAOYSA-N 1 1 288.391 3.030 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC2(CCCCC2)O1 ZINC000594057674 347146824 /nfs/dbraw/zinc/14/68/24/347146824.db2.gz KXWAMTGDGONEQH-OAHLLOKOSA-N 1 1 284.403 3.482 20 30 CGEDMO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1ccc(C#N)cn1 ZINC000593972500 347127215 /nfs/dbraw/zinc/12/72/15/347127215.db2.gz SDPOKPPXGWCSSK-CMPLNLGQSA-N 1 1 283.297 3.116 20 30 CGEDMO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1ccc(C#N)cn1 ZINC000593972500 347127218 /nfs/dbraw/zinc/12/72/18/347127218.db2.gz SDPOKPPXGWCSSK-CMPLNLGQSA-N 1 1 283.297 3.116 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@H](F)C2)cc1 ZINC000594606543 347201718 /nfs/dbraw/zinc/20/17/18/347201718.db2.gz LQFJEWVXEFDZKD-HNNXBMFYSA-N 1 1 260.356 3.422 20 30 CGEDMO N#CC1(c2ccc(C[NH2+][C@H]3CCCc4c[nH]nc43)cc2)CC1 ZINC000594932344 347233231 /nfs/dbraw/zinc/23/32/31/347233231.db2.gz ZQHGYCLFHRLPRP-INIZCTEOSA-N 1 1 292.386 3.132 20 30 CGEDMO C[C@H](c1ccco1)[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595297857 347289462 /nfs/dbraw/zinc/28/94/62/347289462.db2.gz ZTCPOBSAFNZQOL-CYBMUJFWSA-N 1 1 254.333 3.387 20 30 CGEDMO C[N@@H+](CCOCc1ccccc1)CCc1ccc(C#N)cc1 ZINC000595339364 347294078 /nfs/dbraw/zinc/29/40/78/347294078.db2.gz NNWGRJIKOJBMRI-UHFFFAOYSA-N 1 1 294.398 3.249 20 30 CGEDMO C[C@H](c1cccc(O)c1)[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595374881 347296990 /nfs/dbraw/zinc/29/69/90/347296990.db2.gz FNQHVWMVDQUBQM-CQSZACIVSA-N 1 1 280.371 3.499 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000595611715 347326204 /nfs/dbraw/zinc/32/62/04/347326204.db2.gz NJWSTYWSSVLGRQ-CQSZACIVSA-N 1 1 281.359 3.467 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000595611715 347326205 /nfs/dbraw/zinc/32/62/05/347326205.db2.gz NJWSTYWSSVLGRQ-CQSZACIVSA-N 1 1 281.359 3.467 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000595610959 347326509 /nfs/dbraw/zinc/32/65/09/347326509.db2.gz DVQNBPMFVKBEEX-LBPRGKRZSA-N 1 1 280.318 3.414 20 30 CGEDMO C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595611003 347326541 /nfs/dbraw/zinc/32/65/41/347326541.db2.gz FXVWWLSYPAEOPZ-KGLIPLIRSA-N 1 1 296.374 3.423 20 30 CGEDMO C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595611003 347326545 /nfs/dbraw/zinc/32/65/45/347326545.db2.gz FXVWWLSYPAEOPZ-KGLIPLIRSA-N 1 1 296.374 3.423 20 30 CGEDMO COc1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc1Cl ZINC000595620785 347328612 /nfs/dbraw/zinc/32/86/12/347328612.db2.gz QSURZOJZSLISCA-LBPRGKRZSA-N 1 1 278.783 3.474 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1Cl ZINC000595620785 347328615 /nfs/dbraw/zinc/32/86/15/347328615.db2.gz QSURZOJZSLISCA-LBPRGKRZSA-N 1 1 278.783 3.474 20 30 CGEDMO COCC[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595621510 347328683 /nfs/dbraw/zinc/32/86/83/347328683.db2.gz VTHIXWZUICFJOR-RDJZCZTQSA-N 1 1 272.392 3.390 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCC3(CCCC3)CC2)nc1 ZINC000595641436 347331916 /nfs/dbraw/zinc/33/19/16/347331916.db2.gz MFGQXPTUHDKTHQ-UHFFFAOYSA-N 1 1 269.392 3.500 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000595658615 347334263 /nfs/dbraw/zinc/33/42/63/347334263.db2.gz GCJRTIXJJUSHES-MRXNPFEDSA-N 1 1 297.402 3.175 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@H](C)c2ccc(C(=O)OC)o2)C1 ZINC000595660971 347335024 /nfs/dbraw/zinc/33/50/24/347335024.db2.gz UVAFAXJDUJJJRK-OLZOCXBDSA-N 1 1 277.364 3.415 20 30 CGEDMO C[C@@H]1COC2(CCC2)C[N@H+]1CCC1(C#N)CCCCC1 ZINC000595683649 347337522 /nfs/dbraw/zinc/33/75/22/347337522.db2.gz XIPNMLNONOICRJ-OAHLLOKOSA-N 1 1 276.424 3.494 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCCCC(C)(C)C#N)[C@@H]1CCO ZINC000595703555 347343661 /nfs/dbraw/zinc/34/36/61/347343661.db2.gz UFGXJVZBHKUPPB-HUUCEWRRSA-N 1 1 266.429 3.189 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C(C)(C)C ZINC000595763582 347352659 /nfs/dbraw/zinc/35/26/59/347352659.db2.gz QYUAHVJUBNOZNQ-UHFFFAOYSA-N 1 1 278.352 3.390 20 30 CGEDMO COc1cccc([C@@]2(C)CC[N@H+]([C@H](C)CCC#N)C2)c1 ZINC000595764438 347352702 /nfs/dbraw/zinc/35/27/02/347352702.db2.gz ISZDFSKUWVWKFB-PBHICJAKSA-N 1 1 272.392 3.351 20 30 CGEDMO C=CC[N@H+](Cc1ccc(C#N)cc1OC)C(C)(C)C ZINC000595765175 347353163 /nfs/dbraw/zinc/35/31/63/347353163.db2.gz HWABNGZEPYLOQZ-UHFFFAOYSA-N 1 1 258.365 3.353 20 30 CGEDMO COCC[N@@H+](CCc1ccc(C#N)cc1)[C@H]1CC[C@H](C)C1 ZINC000595462257 347307782 /nfs/dbraw/zinc/30/77/82/347307782.db2.gz SLKONSCRKQWQEW-YJBOKZPZSA-N 1 1 286.419 3.238 20 30 CGEDMO CN(C)c1ccccc1C[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595490856 347311453 /nfs/dbraw/zinc/31/14/53/347311453.db2.gz RWZWJEHENIWBPH-UHFFFAOYSA-N 1 1 293.414 3.299 20 30 CGEDMO CC[C@H](C)[N@@H+](CC)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000595592622 347322854 /nfs/dbraw/zinc/32/28/54/347322854.db2.gz HAUMSGRKPYIRSV-LBPRGKRZSA-N 1 1 284.363 3.229 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@@H]1COc1cccc(C#N)c1 ZINC000596240951 347402945 /nfs/dbraw/zinc/40/29/45/347402945.db2.gz ITBHQPDWKMDHJT-OAHLLOKOSA-N 1 1 258.365 3.200 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](CCSC2CCCCC2)C1 ZINC000595840757 347365632 /nfs/dbraw/zinc/36/56/32/347365632.db2.gz DSLQKNABLWVRBT-AWEZNQCLSA-N 1 1 252.427 3.288 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](CCSC2CCCCC2)C1 ZINC000595840757 347365635 /nfs/dbraw/zinc/36/56/35/347365635.db2.gz DSLQKNABLWVRBT-AWEZNQCLSA-N 1 1 252.427 3.288 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1ccc([N+](=O)[O-])cc1 ZINC000595845528 347367371 /nfs/dbraw/zinc/36/73/71/347367371.db2.gz PLTLCGGNQMFTIM-GASCZTMLSA-N 1 1 288.347 3.157 20 30 CGEDMO C[C@@H]1C[N@H+](CCCC(C)(C)C#N)C[C@@H](CC(F)(F)F)O1 ZINC000595887620 347371045 /nfs/dbraw/zinc/37/10/45/347371045.db2.gz AARRFDRSETWVIO-VXGBXAGGSA-N 1 1 292.345 3.358 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCC(C)(C)C#N)C[C@@H](CC(F)(F)F)O1 ZINC000595887620 347371047 /nfs/dbraw/zinc/37/10/47/347371047.db2.gz AARRFDRSETWVIO-VXGBXAGGSA-N 1 1 292.345 3.358 20 30 CGEDMO C[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000597175668 347544069 /nfs/dbraw/zinc/54/40/69/347544069.db2.gz CUINGCXHNALVEP-DOTOQJQBSA-N 1 1 256.393 3.491 20 30 CGEDMO CCOc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)ccc1OC ZINC000597174409 347544346 /nfs/dbraw/zinc/54/43/46/347544346.db2.gz PYMVCNGLHUPQPB-AWEZNQCLSA-N 1 1 288.391 3.220 20 30 CGEDMO N#CCCCOc1cccc(C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000597173909 347544455 /nfs/dbraw/zinc/54/44/55/347544455.db2.gz NGMJLOOLKYAHLL-MRXNPFEDSA-N 1 1 297.402 3.495 20 30 CGEDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000596977937 347523826 /nfs/dbraw/zinc/52/38/26/347523826.db2.gz QMSKVRPODQXBHT-WMLDXEAASA-N 1 1 284.403 3.241 20 30 CGEDMO N#CCC[N@@H+](Cc1cc2ccncc2s1)CC1CC1 ZINC000596996631 347525279 /nfs/dbraw/zinc/52/52/79/347525279.db2.gz WCSOSJKSNDUHFM-UHFFFAOYSA-N 1 1 271.389 3.422 20 30 CGEDMO N#CCC[N@H+](Cc1cc2ccncc2s1)CC1CC1 ZINC000596996631 347525281 /nfs/dbraw/zinc/52/52/81/347525281.db2.gz WCSOSJKSNDUHFM-UHFFFAOYSA-N 1 1 271.389 3.422 20 30 CGEDMO CC[N@H+](Cc1ccc(C2(C#N)CC2)cc1)C[C@@H]1CCCO1 ZINC000596999672 347526325 /nfs/dbraw/zinc/52/63/25/347526325.db2.gz HWYXNGXHAWMUHF-KRWDZBQOSA-N 1 1 284.403 3.243 20 30 CGEDMO C[C@@H](C#N)C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)C1CC1 ZINC000597025588 347528229 /nfs/dbraw/zinc/52/82/29/347528229.db2.gz FWTCKBGXCHZKNX-AWEZNQCLSA-N 1 1 279.387 3.366 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)C1CC1 ZINC000597025588 347528231 /nfs/dbraw/zinc/52/82/31/347528231.db2.gz FWTCKBGXCHZKNX-AWEZNQCLSA-N 1 1 279.387 3.366 20 30 CGEDMO C[N@@H+](Cc1ccncc1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597079741 347533622 /nfs/dbraw/zinc/53/36/22/347533622.db2.gz GQFMSRAOUUVAON-UHFFFAOYSA-N 1 1 277.371 3.269 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@@]4(CCOC4)C3)cc2)CC1 ZINC000597146950 347540813 /nfs/dbraw/zinc/54/08/13/347540813.db2.gz JBXVKWQXELQYKW-GOSISDBHSA-N 1 1 296.414 3.244 20 30 CGEDMO COc1cccc([C@]2(C)CC[N@@H+](Cc3ccc(C#N)o3)C2)c1 ZINC000597209851 347555143 /nfs/dbraw/zinc/55/51/43/347555143.db2.gz DNHTZGYZBMNRCP-GOSISDBHSA-N 1 1 296.370 3.323 20 30 CGEDMO Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000597228697 347557529 /nfs/dbraw/zinc/55/75/29/347557529.db2.gz GCKFLSXMYQQAGV-KRWDZBQOSA-N 1 1 280.375 3.121 20 30 CGEDMO Cc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000597228697 347557532 /nfs/dbraw/zinc/55/75/32/347557532.db2.gz GCKFLSXMYQQAGV-KRWDZBQOSA-N 1 1 280.375 3.121 20 30 CGEDMO Cc1ccc2c(c1)C[N@@H+](Cc1cc(C#N)cs1)CC2 ZINC000597184893 347546631 /nfs/dbraw/zinc/54/66/31/347546631.db2.gz RMTPDMDPZHOOIJ-UHFFFAOYSA-N 1 1 268.385 3.487 20 30 CGEDMO Cc1ccc2c(c1)C[N@H+](Cc1cc(C#N)cs1)CC2 ZINC000597184893 347546633 /nfs/dbraw/zinc/54/66/33/347546633.db2.gz RMTPDMDPZHOOIJ-UHFFFAOYSA-N 1 1 268.385 3.487 20 30 CGEDMO C[C@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(C#N)cc1 ZINC000598955163 347700601 /nfs/dbraw/zinc/70/06/01/347700601.db2.gz GVBIGBNWQCYOKU-XJKSGUPXSA-N 1 1 271.408 3.082 20 30 CGEDMO C[C@H]([NH2+][C@@H]1CCN(C)C(C)(C)C1)c1ccc(C#N)cc1 ZINC000598955163 347700614 /nfs/dbraw/zinc/70/06/14/347700614.db2.gz GVBIGBNWQCYOKU-XJKSGUPXSA-N 1 1 271.408 3.082 20 30 CGEDMO C[N@H+]1CC[C@@H]([NH2+]C2(c3ccc(C#N)cc3)CCC2)CC1(C)C ZINC000598979344 347703292 /nfs/dbraw/zinc/70/32/92/347703292.db2.gz BWRDFXXKPVWEBD-QGZVFWFLSA-N 1 1 297.446 3.400 20 30 CGEDMO CN1CC[C@@H]([NH2+]C2(c3ccc(C#N)cc3)CCC2)CC1(C)C ZINC000598979344 347703293 /nfs/dbraw/zinc/70/32/93/347703293.db2.gz BWRDFXXKPVWEBD-QGZVFWFLSA-N 1 1 297.446 3.400 20 30 CGEDMO C[N@@H+]1CC[C@@H](NC2(c3ccc(C#N)cc3)CCC2)CC1(C)C ZINC000598979344 347703295 /nfs/dbraw/zinc/70/32/95/347703295.db2.gz BWRDFXXKPVWEBD-QGZVFWFLSA-N 1 1 297.446 3.400 20 30 CGEDMO C[N@H+]1CC[C@@H](NC2(c3ccc(C#N)cc3)CCC2)CC1(C)C ZINC000598979344 347703296 /nfs/dbraw/zinc/70/32/96/347703296.db2.gz BWRDFXXKPVWEBD-QGZVFWFLSA-N 1 1 297.446 3.400 20 30 CGEDMO C[N@@H+]1CCCC[C@@H](CNCc2ccc(C3(C#N)CC3)cc2)C1 ZINC000598995502 347705136 /nfs/dbraw/zinc/70/51/36/347705136.db2.gz ZOLNCTTYUWDKEK-KRWDZBQOSA-N 1 1 297.446 3.063 20 30 CGEDMO C[N@H+]1CCCC[C@@H](CNCc2ccc(C3(C#N)CC3)cc2)C1 ZINC000598995502 347705139 /nfs/dbraw/zinc/70/51/39/347705139.db2.gz ZOLNCTTYUWDKEK-KRWDZBQOSA-N 1 1 297.446 3.063 20 30 CGEDMO Cc1cccc([C@H]2CCC[N@H+]2C[C@H](O)CC(C)(C)C#N)c1 ZINC000598586200 347666822 /nfs/dbraw/zinc/66/68/22/347666822.db2.gz QEMPGFCOWDSQEY-IAGOWNOFSA-N 1 1 286.419 3.433 20 30 CGEDMO CCC(CC)C[N@@H+](CC)C[C@H](O)CC(C)(C)C#N ZINC000598590227 347667711 /nfs/dbraw/zinc/66/77/11/347667711.db2.gz SDPXOLLCUZHSFV-CQSZACIVSA-N 1 1 254.418 3.045 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@@H](O)CC(C)(C)C#N ZINC000598613593 347671263 /nfs/dbraw/zinc/67/12/63/347671263.db2.gz KGOHLIHSHBDRNQ-KRWDZBQOSA-N 1 1 286.419 3.365 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC=C(c2ccccc2)C1 ZINC000598614201 347671269 /nfs/dbraw/zinc/67/12/69/347671269.db2.gz JRICAYAYJFDOBD-KRWDZBQOSA-N 1 1 284.403 3.076 20 30 CGEDMO CCOC[C@@H]1CCC[N@@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599295774 347732541 /nfs/dbraw/zinc/73/25/41/347732541.db2.gz PJKAMNNSZCSJMD-MRXNPFEDSA-N 1 1 272.392 3.115 20 30 CGEDMO CCO[C@@H](C[N@@H+](CCC#N)CC(C)(C)C)C1CC1 ZINC000599296590 347732743 /nfs/dbraw/zinc/73/27/43/347732743.db2.gz CJARDNBABXBRIS-AWEZNQCLSA-N 1 1 252.402 3.063 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)cc1C#N ZINC000599380115 347740470 /nfs/dbraw/zinc/74/04/70/347740470.db2.gz BBBBKGAGTIPPFM-GOSISDBHSA-N 1 1 284.403 3.258 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000599526702 347750459 /nfs/dbraw/zinc/75/04/59/347750459.db2.gz PSLAHECMJURBJZ-CQSZACIVSA-N 1 1 265.360 3.209 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000599529009 347751420 /nfs/dbraw/zinc/75/14/20/347751420.db2.gz KEBBEAGFNCDHNV-NSHDSACASA-N 1 1 294.326 3.141 20 30 CGEDMO Cc1cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)ccc1C#N ZINC000599553156 347753904 /nfs/dbraw/zinc/75/39/04/347753904.db2.gz OUKCNYKCDYYMEC-CVEARBPZSA-N 1 1 272.417 3.337 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCO[C@H](CCF)C1 ZINC000599641629 347761366 /nfs/dbraw/zinc/76/13/66/347761366.db2.gz JRBBUJUDCMYKGC-OAHLLOKOSA-N 1 1 290.382 3.048 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCO[C@H](CCF)C1 ZINC000599641629 347761369 /nfs/dbraw/zinc/76/13/69/347761369.db2.gz JRBBUJUDCMYKGC-OAHLLOKOSA-N 1 1 290.382 3.048 20 30 CGEDMO N#CCc1cccc2c1CC[N@@H+](C[C@H]1CC=CCC1)C2 ZINC000600213602 347793841 /nfs/dbraw/zinc/79/38/41/347793841.db2.gz WYWYGWAZXCWXLH-HNNXBMFYSA-N 1 1 266.388 3.467 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000600212288 347794361 /nfs/dbraw/zinc/79/43/61/347794361.db2.gz BMVYBHYAIKTVEH-UHFFFAOYSA-N 1 1 281.403 3.441 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cccc(C(=O)OCC)n2)C1 ZINC000600180175 347789966 /nfs/dbraw/zinc/78/99/66/347789966.db2.gz HRJQGXBCXDVULR-AWEZNQCLSA-N 1 1 288.391 3.046 20 30 CGEDMO C[C@@H]1CCC[N@H+]1Cc1ccc(-c2cnn(CC#N)c2)cc1 ZINC000600779020 347834253 /nfs/dbraw/zinc/83/42/53/347834253.db2.gz MQRHNHHAMHPFKP-CQSZACIVSA-N 1 1 280.375 3.058 20 30 CGEDMO Cc1cccc(NC(=O)C[N@H+](C)C[C@H](C)CCC#N)c1C ZINC000602435784 347957157 /nfs/dbraw/zinc/95/71/57/347957157.db2.gz UXZBCNASCDNPCM-CYBMUJFWSA-N 1 1 287.407 3.114 20 30 CGEDMO COc1ccc(C[N@@H+](C)C[C@H](C)CCC#N)c(OC)c1 ZINC000602431772 347957469 /nfs/dbraw/zinc/95/74/69/347957469.db2.gz FQQNCOXUWWQDAG-CYBMUJFWSA-N 1 1 276.380 3.075 20 30 CGEDMO Cc1ccc([C@H](C)[N@@H+](C)Cc2cccc(C#N)n2)cc1 ZINC000602439049 347958184 /nfs/dbraw/zinc/95/81/84/347958184.db2.gz LKOIVJHSZXMNMX-AWEZNQCLSA-N 1 1 265.360 3.455 20 30 CGEDMO COc1ccc(CCC[N@@H+](C)C[C@@H](C)CCC#N)cc1 ZINC000602451075 347960249 /nfs/dbraw/zinc/96/02/49/347960249.db2.gz ZMLORLSXRREZEX-HNNXBMFYSA-N 1 1 274.408 3.499 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000602453950 347961466 /nfs/dbraw/zinc/96/14/66/347961466.db2.gz LKQQVJZTFCTJJO-CJNGLKHVSA-N 1 1 258.365 3.469 20 30 CGEDMO CO[C@@](C)(C[N@@H+](CCC#N)CC(C)(C)C)C1CC1 ZINC000602464028 347961803 /nfs/dbraw/zinc/96/18/03/347961803.db2.gz AOKLTFGNCLVZEN-HNNXBMFYSA-N 1 1 252.402 3.063 20 30 CGEDMO COc1ccc(C[N@@H+](C)C[C@H](C)CCC#N)cc1C ZINC000602461158 347962149 /nfs/dbraw/zinc/96/21/49/347962149.db2.gz BQVINPBHALQBAI-CYBMUJFWSA-N 1 1 260.381 3.375 20 30 CGEDMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1cccc(C#N)n1 ZINC000602477324 347964652 /nfs/dbraw/zinc/96/46/52/347964652.db2.gz JQBCCRAYLIWKEU-UKRRQHHQSA-N 1 1 295.361 3.470 20 30 CGEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2cccc(C#N)n2)C1 ZINC000602485910 347967998 /nfs/dbraw/zinc/96/79/98/347967998.db2.gz RRNWOACYVCEZGF-LSDHHAIUSA-N 1 1 275.421 3.059 20 30 CGEDMO N#CCCCN[C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602603569 347991839 /nfs/dbraw/zinc/99/18/39/347991839.db2.gz DIZSGRXDTNRLCW-AEFFLSMTSA-N 1 1 283.419 3.248 20 30 CGEDMO N#CCCCN[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602603569 347991842 /nfs/dbraw/zinc/99/18/42/347991842.db2.gz DIZSGRXDTNRLCW-AEFFLSMTSA-N 1 1 283.419 3.248 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C)C[C@H](C)c1nccs1 ZINC000602606110 347991851 /nfs/dbraw/zinc/99/18/51/347991851.db2.gz ACJYJINAEUZSNX-RYUDHWBXSA-N 1 1 251.399 3.118 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)C[C@@H](C)c1nccs1 ZINC000602606111 347992202 /nfs/dbraw/zinc/99/22/02/347992202.db2.gz ACJYJINAEUZSNX-VXGBXAGGSA-N 1 1 251.399 3.118 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000602620379 347995963 /nfs/dbraw/zinc/99/59/63/347995963.db2.gz KNDKSXADPGQHJY-CQSZACIVSA-N 1 1 254.377 3.474 20 30 CGEDMO COCC[N@@H+](C[C@H](C)CCC#N)[C@H]1CC[C@@H](C)C1 ZINC000602629844 347996679 /nfs/dbraw/zinc/99/66/79/347996679.db2.gz JRQKSCSDOIUNRG-KFWWJZLASA-N 1 1 252.402 3.063 20 30 CGEDMO N#CCC1(C[N@H+]2CCOC3(C2)CCCCCC3)CC1 ZINC000602783830 348028562 /nfs/dbraw/zinc/02/85/62/348028562.db2.gz GHVRVSIGPLLZFV-UHFFFAOYSA-N 1 1 262.397 3.105 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000602659226 348002842 /nfs/dbraw/zinc/00/28/42/348002842.db2.gz PVZQYRMDFINYGT-ZBFHGGJFSA-N 1 1 260.356 3.497 20 30 CGEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1C[C@H](C)CCC#N ZINC000602663655 348003541 /nfs/dbraw/zinc/00/35/41/348003541.db2.gz DNFLFGXROAEURV-BXUZGUMPSA-N 1 1 260.385 3.103 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000602685215 348009018 /nfs/dbraw/zinc/00/90/18/348009018.db2.gz ZIVLOWJOCRTYQU-BBRMVZONSA-N 1 1 276.355 3.139 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000602685215 348009021 /nfs/dbraw/zinc/00/90/21/348009021.db2.gz ZIVLOWJOCRTYQU-BBRMVZONSA-N 1 1 276.355 3.139 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCC[C@H]1CCO1 ZINC000602692398 348010428 /nfs/dbraw/zinc/01/04/28/348010428.db2.gz NCIPQFSXQMTJHH-BBRMVZONSA-N 1 1 258.365 3.120 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000602696811 348011029 /nfs/dbraw/zinc/01/10/29/348011029.db2.gz GSRPRHHQQRMVRN-ILXRZTDVSA-N 1 1 294.439 3.226 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cc[nH]c(=O)c1 ZINC000602786666 348029340 /nfs/dbraw/zinc/02/93/40/348029340.db2.gz SKXQTASACYAMQE-SJORKVTESA-N 1 1 293.370 3.059 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1C[C@@H](C)OC2(CCCCC2)C1 ZINC000602712961 348015911 /nfs/dbraw/zinc/01/59/11/348015911.db2.gz WWIJJBLYUOZWNL-HUUCEWRRSA-N 1 1 264.413 3.350 20 30 CGEDMO COc1ccc(CCC[N@@H+](C)CC2(CC#N)CC2)cc1 ZINC000602762917 348024435 /nfs/dbraw/zinc/02/44/35/348024435.db2.gz HBZIEEWMSLXHLR-UHFFFAOYSA-N 1 1 272.392 3.253 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCO[C@@H]1C ZINC000602763600 348025134 /nfs/dbraw/zinc/02/51/34/348025134.db2.gz QQWWODXTHJJBGU-RHSMWYFYSA-N 1 1 272.392 3.195 20 30 CGEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc[nH]c(=O)c1 ZINC000602766839 348025514 /nfs/dbraw/zinc/02/55/14/348025514.db2.gz RWILQHAGJIKICI-UHFFFAOYSA-N 1 1 295.386 3.317 20 30 CGEDMO N#CCC1(CN2CCC[N@@H+](CC3CCCCC3)CC2)CC1 ZINC000602768302 348025756 /nfs/dbraw/zinc/02/57/56/348025756.db2.gz MQFSSLHKWGZFNQ-UHFFFAOYSA-N 1 1 289.467 3.268 20 30 CGEDMO N#CCC1(C[N@@H+]2CCC[C@@H](O)[C@@H]2CCc2ccccc2)CC1 ZINC000602852839 348037280 /nfs/dbraw/zinc/03/72/80/348037280.db2.gz RPWBZZLTXZKDGY-ZWKOTPCHSA-N 1 1 298.430 3.138 20 30 CGEDMO N#CC1(CC[N@@H+]2CCC[C@@H]2c2ncccn2)CCCCC1 ZINC000602901534 348041861 /nfs/dbraw/zinc/04/18/61/348041861.db2.gz ZMIUMHZZUBLFCZ-OAHLLOKOSA-N 1 1 284.407 3.478 20 30 CGEDMO N#CC1(CC[N@H+]2CCC[C@@H]2c2ncccn2)CCCCC1 ZINC000602901534 348041862 /nfs/dbraw/zinc/04/18/62/348041862.db2.gz ZMIUMHZZUBLFCZ-OAHLLOKOSA-N 1 1 284.407 3.478 20 30 CGEDMO C[N@@H+](CCCOc1ccc(F)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000602975742 348048601 /nfs/dbraw/zinc/04/86/01/348048601.db2.gz GPVGEYPDVGMVMA-CZUORRHYSA-N 1 1 276.355 3.219 20 30 CGEDMO C[N@@H+](CCCOCCc1ccccc1)[C@@H]1CCC[C@H]1C#N ZINC000602977171 348049281 /nfs/dbraw/zinc/04/92/81/348049281.db2.gz YUEPNUARKWOJAT-ZWKOTPCHSA-N 1 1 286.419 3.260 20 30 CGEDMO COC(=O)C12CCC(CC1)[N@@H+]2CCC1(C#N)CCCCC1 ZINC000602985756 348051988 /nfs/dbraw/zinc/05/19/88/348051988.db2.gz HOKIXXYMNRHSAU-UHFFFAOYSA-N 1 1 290.407 3.021 20 30 CGEDMO COC(=O)C12CCC(CC1)[N@H+]2CCC1(C#N)CCCCC1 ZINC000602985756 348051990 /nfs/dbraw/zinc/05/19/90/348051990.db2.gz HOKIXXYMNRHSAU-UHFFFAOYSA-N 1 1 290.407 3.021 20 30 CGEDMO COc1ccc([C@H](C)C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)cc1 ZINC000602982331 348052019 /nfs/dbraw/zinc/05/20/19/348052019.db2.gz QTYINGSGLBVHNP-UKPHBRMFSA-N 1 1 272.392 3.423 20 30 CGEDMO C[N@@H+](CCCC#N)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000604521354 348122885 /nfs/dbraw/zinc/12/28/85/348122885.db2.gz FNNOIDVGQPSJFO-SJORKVTESA-N 1 1 272.392 3.390 20 30 CGEDMO C=CCCCCCN(C)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000606919801 348208915 /nfs/dbraw/zinc/20/89/15/348208915.db2.gz LKXDZCCQSBSJLJ-INIZCTEOSA-N 1 1 295.471 3.106 20 30 CGEDMO C=C(C)C[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000606935689 348211134 /nfs/dbraw/zinc/21/11/34/348211134.db2.gz YHDKQZWBXGVTHR-UHFFFAOYSA-N 1 1 284.197 3.336 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc2nc[nH]c2c1)c1cccc(C#N)c1 ZINC000610345034 348376466 /nfs/dbraw/zinc/37/64/66/348376466.db2.gz QMZLTOQGJNAGEF-GFCCVEGCSA-N 1 1 276.343 3.285 20 30 CGEDMO C=CCCC[N@@H+](Cc1ccccc1)C[C@@H](C)C(=O)OC ZINC000609800064 348353661 /nfs/dbraw/zinc/35/36/61/348353661.db2.gz FUYLTYICFYAOAV-OAHLLOKOSA-N 1 1 275.392 3.264 20 30 CGEDMO C[N@@H+](Cc1ccnc(C#N)c1)[C@H]1CCCc2ccccc21 ZINC000610991365 348414306 /nfs/dbraw/zinc/41/43/06/348414306.db2.gz LDYBURAFEAXSGR-SFHVURJKSA-N 1 1 277.371 3.463 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccnc(C#N)c2)[C@H]1c1ccccc1 ZINC000610994253 348416027 /nfs/dbraw/zinc/41/60/27/348416027.db2.gz AFBCQRQFLWGMLU-CXAGYDPISA-N 1 1 263.344 3.146 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccnc(C#N)c2)[C@H]1c1ccccc1 ZINC000610994253 348416028 /nfs/dbraw/zinc/41/60/28/348416028.db2.gz AFBCQRQFLWGMLU-CXAGYDPISA-N 1 1 263.344 3.146 20 30 CGEDMO CC(C)C[C@@H]1CCCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610995133 348417481 /nfs/dbraw/zinc/41/74/81/348417481.db2.gz NXEYKSINSWNOST-INIZCTEOSA-N 1 1 257.381 3.354 20 30 CGEDMO C[C@@H]([NH2+]Cc1cn2cccc(F)c2n1)c1ccc(C#N)cc1 ZINC000611118854 348423771 /nfs/dbraw/zinc/42/37/71/348423771.db2.gz HUCOZEGBFOSRRA-GFCCVEGCSA-N 1 1 294.333 3.196 20 30 CGEDMO C[C@H]1CC[N@@H+](CCCOc2cccc(C#N)c2)C[C@@H]1F ZINC000611501471 348456255 /nfs/dbraw/zinc/45/62/55/348456255.db2.gz CMAXFVLHJQXMSE-BBRMVZONSA-N 1 1 276.355 3.007 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611608938 348463103 /nfs/dbraw/zinc/46/31/03/348463103.db2.gz DUHSXJQIDHEGAD-LLVKDONJSA-N 1 1 260.328 3.020 20 30 CGEDMO C[C@]1(C#N)CCC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000612406942 348517567 /nfs/dbraw/zinc/51/75/67/348517567.db2.gz XWXUQQHSIBEAJY-QGZVFWFLSA-N 1 1 265.360 3.360 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000612406942 348517568 /nfs/dbraw/zinc/51/75/68/348517568.db2.gz XWXUQQHSIBEAJY-QGZVFWFLSA-N 1 1 265.360 3.360 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000613416486 348599044 /nfs/dbraw/zinc/59/90/44/348599044.db2.gz VLFLOISNZLSYPM-BBWFWOEESA-N 1 1 290.451 3.088 20 30 CGEDMO C[C@@H]1C[C@H](Nc2nc(C(C)(C)C)ccc2C#N)C[N@H+]1C1CC1 ZINC000613427164 348601441 /nfs/dbraw/zinc/60/14/41/348601441.db2.gz SCKSCDKGNYMDTF-OCCSQVGLSA-N 1 1 298.434 3.288 20 30 CGEDMO CC[N@@H+](Cc1cnn(C)c1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614166756 348653665 /nfs/dbraw/zinc/65/36/65/348653665.db2.gz NOIQVVPYSYAVQU-UHFFFAOYSA-N 1 1 296.418 3.243 20 30 CGEDMO C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C[C@@H]1CCCCO1 ZINC000614160555 348653756 /nfs/dbraw/zinc/65/37/56/348653756.db2.gz CDSGYMMKJBVRKS-KRWDZBQOSA-N 1 1 286.419 3.489 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCCOC(C)(C)C2)cc1 ZINC000614167935 348654330 /nfs/dbraw/zinc/65/43/30/348654330.db2.gz CEZYKEYHVCGIPE-UHFFFAOYSA-N 1 1 286.419 3.489 20 30 CGEDMO CC(C)(C)C[N@@H+](CCO)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614167472 348654434 /nfs/dbraw/zinc/65/44/34/348654434.db2.gz RVGCGHFNHBYTML-UHFFFAOYSA-N 1 1 288.435 3.328 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCOC[C@H]2C2CC2)cc1 ZINC000614178461 348654907 /nfs/dbraw/zinc/65/49/07/348654907.db2.gz DOFLJMOSMZHLIZ-KRWDZBQOSA-N 1 1 284.403 3.099 20 30 CGEDMO C=CC[C@@H]1CCCN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000617785521 349012942 /nfs/dbraw/zinc/01/29/42/349012942.db2.gz KXCGZSXSZAQHOR-XUWVNRHRSA-N 1 1 278.440 3.062 20 30 CGEDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)Nc1ncc(C#N)cc1Cl ZINC000358878770 233208544 /nfs/dbraw/zinc/20/85/44/233208544.db2.gz VFQVOYSMTOXUNT-VXGBXAGGSA-N 1 1 292.814 3.139 20 30 CGEDMO CC(C)(C)[C@@H]1CCC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000619516690 349255114 /nfs/dbraw/zinc/25/51/14/349255114.db2.gz MDGNMVMPENTIFO-CQSZACIVSA-N 1 1 257.381 3.211 20 30 CGEDMO Cc1nn(C(C)C)cc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000619598850 349262403 /nfs/dbraw/zinc/26/24/03/349262403.db2.gz SYQUZAJHWVOQJY-UHFFFAOYSA-N 1 1 286.354 3.073 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+](C)C1CCCCC1 ZINC000620305417 349354264 /nfs/dbraw/zinc/35/42/64/349354264.db2.gz FTWQVSTVTYFXDH-CALCHBBNSA-N 1 1 290.451 3.351 20 30 CGEDMO C=CCOc1ccc(OCCCn2cc[nH+]c2C)cc1 ZINC000271227617 191015286 /nfs/dbraw/zinc/01/52/86/191015286.db2.gz SCHSYNFURDKIRM-UHFFFAOYSA-N 1 1 272.348 3.225 20 30 CGEDMO C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H](C)C1(F)F ZINC000625655205 350192150 /nfs/dbraw/zinc/19/21/50/350192150.db2.gz SRPDVPPGNSESKP-BETUJISGSA-N 1 1 281.321 3.400 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2nc(-c3ccc(F)cc3)no2)C1 ZINC000625699761 350197197 /nfs/dbraw/zinc/19/71/97/350197197.db2.gz GWEJQTCOBXIDNP-GFCCVEGCSA-N 1 1 287.338 3.274 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](CCCOCc2ccccc2)C1 ZINC000625700956 350198164 /nfs/dbraw/zinc/19/81/64/350198164.db2.gz FXMLDLZXNNKANV-MRXNPFEDSA-N 1 1 259.393 3.491 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCN(C2CCCCC2)C1=O ZINC000625558243 350183822 /nfs/dbraw/zinc/18/38/22/350183822.db2.gz NVXGPWJPPKSLHU-IXDOHACOSA-N 1 1 288.435 3.103 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cc(C)c(Br)cn1 ZINC000628118798 350401025 /nfs/dbraw/zinc/40/10/25/350401025.db2.gz LCSFOSUFCYEWLR-UHFFFAOYSA-N 1 1 281.197 3.327 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1cnc(C)o1 ZINC000628155444 350413860 /nfs/dbraw/zinc/41/38/60/350413860.db2.gz ZCJSKZFBAJUIDN-UHFFFAOYSA-N 1 1 256.349 3.214 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000628406466 350529757 /nfs/dbraw/zinc/52/97/57/350529757.db2.gz KLIALFNRWFWNKW-HNNXBMFYSA-N 1 1 273.424 3.324 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(Br)o2)C1 ZINC000628406697 350530174 /nfs/dbraw/zinc/53/01/74/350530174.db2.gz OZWPUELRYOELKU-SNVBAGLBSA-N 1 1 270.170 3.440 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)cc1Cl ZINC000628408743 350531197 /nfs/dbraw/zinc/53/11/97/350531197.db2.gz GTWYSKCMJFBYQR-BETUJISGSA-N 1 1 263.768 3.357 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(F)c(C#N)c2)CCS1 ZINC000122068648 187013486 /nfs/dbraw/zinc/01/34/86/187013486.db2.gz IHKJBQYRFXGHNL-UHFFFAOYSA-N 1 1 264.369 3.025 20 30 CGEDMO C=CCC[C@H](NC(=O)C[N@H+](C)C(C)C)c1ccccc1 ZINC000123048914 187068082 /nfs/dbraw/zinc/06/80/82/187068082.db2.gz COHWXZQSBVYLMZ-INIZCTEOSA-N 1 1 274.408 3.150 20 30 CGEDMO CCc1nc(C)c(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)o1 ZINC000291883593 198094569 /nfs/dbraw/zinc/09/45/69/198094569.db2.gz JTYHBODTNNQIJW-SNVBAGLBSA-N 1 1 287.338 3.407 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000122767877 187050504 /nfs/dbraw/zinc/05/05/04/187050504.db2.gz SDRMEXRJFYSTLJ-STQMWFEESA-N 1 1 258.365 3.045 20 30 CGEDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1cccc(C#N)c1 ZINC000124193564 187126234 /nfs/dbraw/zinc/12/62/34/187126234.db2.gz CWUZRTKWIBWXCM-WMLDXEAASA-N 1 1 272.392 3.074 20 30 CGEDMO CSC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000292332968 198247465 /nfs/dbraw/zinc/24/74/65/198247465.db2.gz GDWGNACFPTZRBQ-CYBMUJFWSA-N 1 1 278.396 3.272 20 30 CGEDMO COCC[C@H]1CCCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000368656209 234329931 /nfs/dbraw/zinc/32/99/31/234329931.db2.gz UVTBJOUUMVYUGA-CQSZACIVSA-N 1 1 290.382 3.336 20 30 CGEDMO N#Cc1cccc(Cl)c1N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266455140 283206578 /nfs/dbraw/zinc/20/65/78/283206578.db2.gz XXMVHLNTEVMDDK-UHFFFAOYSA-N 1 1 286.766 3.319 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000459337162 283211804 /nfs/dbraw/zinc/21/18/04/283211804.db2.gz KBXUWYPHLJIBMK-OAHLLOKOSA-N 1 1 285.347 3.231 20 30 CGEDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000093324899 138344880 /nfs/dbraw/zinc/34/48/80/138344880.db2.gz LTNDLAPZPRJOKO-LBPRGKRZSA-N 1 1 286.400 3.388 20 30 CGEDMO C[C@H]1CCC[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2C#N)C1 ZINC000098110857 138349606 /nfs/dbraw/zinc/34/96/06/138349606.db2.gz KGSMCGVGIRKWFW-HOCLYGCPSA-N 1 1 299.418 3.397 20 30 CGEDMO CC(C)(C)C[N@@H+](CCCO)Cc1cn2ccccc2c1C#N ZINC000106934842 138356698 /nfs/dbraw/zinc/35/66/98/138356698.db2.gz GWVDVDICOGIRER-UHFFFAOYSA-N 1 1 299.418 3.041 20 30 CGEDMO Cn1cc(C[N@@H+](CC2CCCCC2)C2CC2)cc1C#N ZINC000191262115 138470824 /nfs/dbraw/zinc/47/08/24/138470824.db2.gz KAARKBKAMWPWRW-UHFFFAOYSA-N 1 1 271.408 3.441 20 30 CGEDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000336224675 213053033 /nfs/dbraw/zinc/05/30/33/213053033.db2.gz AIGWEYMHUUEYGG-MFKMUULPSA-N 1 1 268.282 3.331 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000177445363 189051591 /nfs/dbraw/zinc/05/15/91/189051591.db2.gz YWCHDYVKUPJGRA-NVXWUHKLSA-N 1 1 286.419 3.122 20 30 CGEDMO C[C@H](NCc1cccc(C#N)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183103697 189346590 /nfs/dbraw/zinc/34/65/90/189346590.db2.gz HEVIFHPXPVFQMY-YJBOKZPZSA-N 1 1 297.446 3.301 20 30 CGEDMO C[C@H](NCc1cccc(C#N)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183103697 189346591 /nfs/dbraw/zinc/34/65/91/189346591.db2.gz HEVIFHPXPVFQMY-YJBOKZPZSA-N 1 1 297.446 3.301 20 30 CGEDMO Cc1nc(NCc2cc(C#N)ccc2F)c(C)c(C)[nH+]1 ZINC000301683533 201134752 /nfs/dbraw/zinc/13/47/52/201134752.db2.gz KONDVDHAGODIMG-UHFFFAOYSA-N 1 1 270.311 3.025 20 30 CGEDMO CC1=CC[N@@H+](CCNc2c(C#N)cnc3ccccc32)CC1 ZINC000302144606 201364159 /nfs/dbraw/zinc/36/41/59/201364159.db2.gz IUHOZKTUQQNPQH-UHFFFAOYSA-N 1 1 292.386 3.170 20 30 CGEDMO CC1=CC[N@@H+](CCNc2ccc(Cl)cc2C#N)CC1 ZINC000302148778 201367601 /nfs/dbraw/zinc/36/76/01/201367601.db2.gz KROSGQDQUVOWQO-UHFFFAOYSA-N 1 1 275.783 3.276 20 30 CGEDMO CC[N@@H+](CC1=CCCOC1)[C@H](C)c1ccc(C#N)cc1 ZINC000119875696 370718014 /nfs/dbraw/zinc/71/80/14/370718014.db2.gz KEGAUJSMGCSIRU-CQSZACIVSA-N 1 1 270.376 3.288 20 30 CGEDMO C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccc(C#N)cc1 ZINC000218780730 376190048 /nfs/dbraw/zinc/19/00/48/376190048.db2.gz DJEYEIOFCGVXBA-UHFFFAOYSA-N 1 1 285.435 3.256 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1 ZINC000335675759 212395459 /nfs/dbraw/zinc/39/54/59/212395459.db2.gz MWDDRDHXBJGPOH-CABCVRRESA-N 1 1 288.416 3.153 20 30 CGEDMO N#Cc1csc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1 ZINC000335675759 212395461 /nfs/dbraw/zinc/39/54/61/212395461.db2.gz MWDDRDHXBJGPOH-CABCVRRESA-N 1 1 288.416 3.153 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@]3(CCSC3)C2)cc1 ZINC000335579918 212291643 /nfs/dbraw/zinc/29/16/43/212291643.db2.gz LWSMYGHSSCBVGU-INIZCTEOSA-N 1 1 272.417 3.277 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1C1CCC1 ZINC000120827337 370805148 /nfs/dbraw/zinc/80/51/48/370805148.db2.gz DZNWASRUAGLKOD-INIZCTEOSA-N 1 1 270.376 3.331 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000120912999 370813701 /nfs/dbraw/zinc/81/37/01/370813701.db2.gz BABZXCAOZMLQOI-BETUJISGSA-N 1 1 258.365 3.330 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCCC(C)(C)C1 ZINC000120956145 370816406 /nfs/dbraw/zinc/81/64/06/370816406.db2.gz FFIAZGAEKAHKHK-UHFFFAOYSA-N 1 1 258.365 3.189 20 30 CGEDMO C=CC[N@H+](C)Cc1cc(F)cc(Br)c1 ZINC000121416531 370859834 /nfs/dbraw/zinc/85/98/34/370859834.db2.gz ZVXBEPTXAMRRSW-UHFFFAOYSA-N 1 1 258.134 3.206 20 30 CGEDMO C=CC[N@@H+](C)CC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000121574809 370876162 /nfs/dbraw/zinc/87/61/62/370876162.db2.gz AZUAKMHBLSSKDZ-AWEZNQCLSA-N 1 1 282.387 3.135 20 30 CGEDMO C=CC[N@H+](C)CC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000121574809 370876167 /nfs/dbraw/zinc/87/61/67/370876167.db2.gz AZUAKMHBLSSKDZ-AWEZNQCLSA-N 1 1 282.387 3.135 20 30 CGEDMO N#Cc1ccc(OCC[N@@H+](CC2CC2)CC2CCC2)cc1 ZINC000483286454 243272448 /nfs/dbraw/zinc/27/24/48/243272448.db2.gz NRQDJSIFSXPQJP-UHFFFAOYSA-N 1 1 284.403 3.449 20 30 CGEDMO CC(C)(C#N)CCC[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000126866530 370947581 /nfs/dbraw/zinc/94/75/81/370947581.db2.gz CDQQBLDESGLVAK-MRXNPFEDSA-N 1 1 288.391 3.095 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000126866530 370947587 /nfs/dbraw/zinc/94/75/87/370947587.db2.gz CDQQBLDESGLVAK-MRXNPFEDSA-N 1 1 288.391 3.095 20 30 CGEDMO CC[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000030144605 368901122 /nfs/dbraw/zinc/90/11/22/368901122.db2.gz BXCUMIUBOHDEIK-AWEZNQCLSA-N 1 1 285.391 3.009 20 30 CGEDMO CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000030142643 368901316 /nfs/dbraw/zinc/90/13/16/368901316.db2.gz WXTHGTHENNDLFZ-UONOGXRCSA-N 1 1 285.391 3.007 20 30 CGEDMO CC[C@H]1CCCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000034651727 368976877 /nfs/dbraw/zinc/97/68/77/368976877.db2.gz IPHLHBBRYWBGFM-HNNXBMFYSA-N 1 1 258.365 3.202 20 30 CGEDMO CC[C@H]1CCC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000036169521 369013166 /nfs/dbraw/zinc/01/31/66/369013166.db2.gz HEYYLHFGHUIJHL-AWEZNQCLSA-N 1 1 258.365 3.059 20 30 CGEDMO CCC[C@@H](C)[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000036790610 369028231 /nfs/dbraw/zinc/02/82/31/369028231.db2.gz QYPPMSSNHGAGJN-CYBMUJFWSA-N 1 1 273.380 3.007 20 30 CGEDMO CC(C)[C@@H](C)[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000036787283 369028525 /nfs/dbraw/zinc/02/85/25/369028525.db2.gz BAVNNUASMUALDY-CQSZACIVSA-N 1 1 260.381 3.303 20 30 CGEDMO CCC(CC)[N@@H+](CCOC)CCOc1cccc(C#N)c1 ZINC000042616421 369227315 /nfs/dbraw/zinc/22/73/15/369227315.db2.gz BNTGZFJWGVDZGE-UHFFFAOYSA-N 1 1 290.407 3.074 20 30 CGEDMO CC(C)[C@@H]1CCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000049077534 369385970 /nfs/dbraw/zinc/38/59/70/369385970.db2.gz RNWHOURAYGLSRL-ZDUSSCGKSA-N 1 1 291.420 3.069 20 30 CGEDMO CC[N@@H+](CCC#N)CCCC(=O)c1ccc(F)cc1 ZINC000050148620 369430238 /nfs/dbraw/zinc/43/02/38/369430238.db2.gz GLFGJGWBNWTLOF-UHFFFAOYSA-N 1 1 262.328 3.024 20 30 CGEDMO CC[N@H+](CCC#N)CCCC(=O)c1ccc(F)cc1 ZINC000050148620 369430244 /nfs/dbraw/zinc/43/02/44/369430244.db2.gz GLFGJGWBNWTLOF-UHFFFAOYSA-N 1 1 262.328 3.024 20 30 CGEDMO N#CCC[N@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000128720603 370965529 /nfs/dbraw/zinc/96/55/29/370965529.db2.gz GPGSMQYGOQHFKA-CYBMUJFWSA-N 1 1 278.783 3.344 20 30 CGEDMO N#CCC[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000128720603 370965535 /nfs/dbraw/zinc/96/55/35/370965535.db2.gz GPGSMQYGOQHFKA-CYBMUJFWSA-N 1 1 278.783 3.344 20 30 CGEDMO C=CC[N@H+](C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000055055461 369510714 /nfs/dbraw/zinc/51/07/14/369510714.db2.gz JQHTYCBFVMWTJP-UHFFFAOYSA-N 1 1 269.392 3.415 20 30 CGEDMO C[C@H]1CCCC[C@H]1[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000055386555 369515985 /nfs/dbraw/zinc/51/59/85/369515985.db2.gz QGHSUZUQWUMEQS-XJKSGUPXSA-N 1 1 285.391 3.007 20 30 CGEDMO C=C(C)C[N@@H+](CC)C[C@@H](O)COCc1ccccc1Cl ZINC000068045792 369738661 /nfs/dbraw/zinc/73/86/61/369738661.db2.gz PIPXHOFTFJVFLL-OAHLLOKOSA-N 1 1 297.826 3.116 20 30 CGEDMO CC[N@@H+](Cc1cccc(F)c1)C[C@H](C#N)CCC#N ZINC000072672540 369833431 /nfs/dbraw/zinc/83/34/31/369833431.db2.gz JMPXVKGXWMJUCW-AWEZNQCLSA-N 1 1 259.328 3.091 20 30 CGEDMO CC[N@H+](Cc1cccc(F)c1)C[C@H](C#N)CCC#N ZINC000072672540 369833439 /nfs/dbraw/zinc/83/34/39/369833439.db2.gz JMPXVKGXWMJUCW-AWEZNQCLSA-N 1 1 259.328 3.091 20 30 CGEDMO CC[N@H+](C/C=C/c1ccccc1OC)C[C@H](C)C#N ZINC000091983369 370085651 /nfs/dbraw/zinc/08/56/51/370085651.db2.gz QVQYZXIMZZNBBP-RCQQVGEISA-N 1 1 258.365 3.190 20 30 CGEDMO CC[N@@H+](C/C=C/c1ccccc1OC)C[C@H](C)C#N ZINC000091983369 370085656 /nfs/dbraw/zinc/08/56/56/370085656.db2.gz QVQYZXIMZZNBBP-RCQQVGEISA-N 1 1 258.365 3.190 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+](C)CCCC)c1C ZINC000098072224 370262332 /nfs/dbraw/zinc/26/23/32/370262332.db2.gz GNEWMFRGFBDPNP-UHFFFAOYSA-N 1 1 262.397 3.206 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@H+](C)CCCC)c1C ZINC000098072224 370262338 /nfs/dbraw/zinc/26/23/38/370262338.db2.gz GNEWMFRGFBDPNP-UHFFFAOYSA-N 1 1 262.397 3.206 20 30 CGEDMO CN(C)CC[C@@H]([NH2+]Cc1cccc(C#N)c1)C(C)(C)C ZINC000116378682 370558102 /nfs/dbraw/zinc/55/81/02/370558102.db2.gz NHBIENRBGMQBCG-MRXNPFEDSA-N 1 1 273.424 3.014 20 30 CGEDMO C[NH+](C)CC[C@@H](NCc1cccc(C#N)c1)C(C)(C)C ZINC000116378682 370558105 /nfs/dbraw/zinc/55/81/05/370558105.db2.gz NHBIENRBGMQBCG-MRXNPFEDSA-N 1 1 273.424 3.014 20 30 CGEDMO C[C@@H]1SCC[N@@H+](CCCC#N)[C@@H]1c1ccccc1 ZINC000118422166 370616933 /nfs/dbraw/zinc/61/69/33/370616933.db2.gz LUEXPMIJBCLOBT-ZFWWWQNUSA-N 1 1 260.406 3.469 20 30 CGEDMO CC[C@@H](c1ccncc1)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000130147030 371013634 /nfs/dbraw/zinc/01/36/34/371013634.db2.gz BFUCQTQBMPLCFP-SFHVURJKSA-N 1 1 295.386 3.415 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H](C)CC1 ZINC000130465510 371036283 /nfs/dbraw/zinc/03/62/83/371036283.db2.gz JDRHQOFMINQNDM-ZDUSSCGKSA-N 1 1 258.365 3.189 20 30 CGEDMO COCc1ccc([C@H]2CCC[N@H+]2CCCSCC#N)o1 ZINC000130795508 371060512 /nfs/dbraw/zinc/06/05/12/371060512.db2.gz DXXXBMQHVMEULY-CQSZACIVSA-N 1 1 294.420 3.210 20 30 CGEDMO C=CCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000133114138 371227459 /nfs/dbraw/zinc/22/74/59/371227459.db2.gz UIKLBNTXNABWIZ-HZPDHXFCSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000133114138 371227462 /nfs/dbraw/zinc/22/74/62/371227462.db2.gz UIKLBNTXNABWIZ-HZPDHXFCSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CCCN1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000133114138 371227468 /nfs/dbraw/zinc/22/74/68/371227468.db2.gz UIKLBNTXNABWIZ-HZPDHXFCSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CCCN1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000133114138 371227471 /nfs/dbraw/zinc/22/74/71/371227471.db2.gz UIKLBNTXNABWIZ-HZPDHXFCSA-N 1 1 250.430 3.149 20 30 CGEDMO C[C@H]1CCC[C@](C[NH2+]Cc2ccc(C#N)s2)(N(C)C)C1 ZINC000135685798 371444308 /nfs/dbraw/zinc/44/43/08/371444308.db2.gz DXIZTMQEPYWYFW-BBRMVZONSA-N 1 1 291.464 3.220 20 30 CGEDMO COc1ccccc1CC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000353307038 220019464 /nfs/dbraw/zinc/01/94/64/220019464.db2.gz IUVHJWDBIAIVPZ-UHFFFAOYSA-N 1 1 280.371 3.241 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCS[C@H](C(C)C)C1 ZINC000154151842 371822858 /nfs/dbraw/zinc/82/28/58/371822858.db2.gz SXAUIPYTJIEXLW-INIZCTEOSA-N 1 1 290.432 3.140 20 30 CGEDMO COc1cc(CNc2cc(C3CC3)cc[nH+]2)ccc1C#N ZINC000289883292 371844654 /nfs/dbraw/zinc/84/46/54/371844654.db2.gz SALGSCLDKDLBOO-UHFFFAOYSA-N 1 1 279.343 3.451 20 30 CGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000344066548 217035971 /nfs/dbraw/zinc/03/59/71/217035971.db2.gz PLYLSMKEAQYELS-HUUCEWRRSA-N 1 1 297.402 3.173 20 30 CGEDMO Cc1ccn2cc(C[NH2+][C@H](C)c3ccc(C#N)cc3)nc2c1 ZINC000344072468 217037937 /nfs/dbraw/zinc/03/79/37/217037937.db2.gz KQZZORMZAKUFKZ-CQSZACIVSA-N 1 1 290.370 3.365 20 30 CGEDMO Cc1cnn([C@@H]2CC[N@H+]([C@@H](C)c3ccc(C#N)cc3)C2)c1 ZINC000290030022 371882754 /nfs/dbraw/zinc/88/27/54/371882754.db2.gz VSPWCIQHOKJTNU-WMLDXEAASA-N 1 1 280.375 3.071 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000156146596 371964214 /nfs/dbraw/zinc/96/42/14/371964214.db2.gz VRYNTIMWGKKBPU-QLFBSQMISA-N 1 1 266.429 3.062 20 30 CGEDMO CC[N@@H+](Cc1cc(C#N)ccc1OC)[C@H](C)C(C)C ZINC000156375469 371975996 /nfs/dbraw/zinc/97/59/96/371975996.db2.gz COSVWRAXMWTZSP-CYBMUJFWSA-N 1 1 260.381 3.433 20 30 CGEDMO CN(C)c1ccccc1C[N@H+](C)Cc1ccc(C#N)s1 ZINC000290259516 371947259 /nfs/dbraw/zinc/94/72/59/371947259.db2.gz WOEFZZAYRHNHRL-UHFFFAOYSA-N 1 1 285.416 3.318 20 30 CGEDMO CN(C)c1ccccc1C[N@@H+](C)Cc1ccc(C#N)s1 ZINC000290259516 371947264 /nfs/dbraw/zinc/94/72/64/371947264.db2.gz WOEFZZAYRHNHRL-UHFFFAOYSA-N 1 1 285.416 3.318 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCCCNc1cccnc1C#N ZINC000290585646 372022874 /nfs/dbraw/zinc/02/28/74/372022874.db2.gz WOQLTTCQTTZSHV-CQSZACIVSA-N 1 1 272.396 3.020 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000157698934 372033162 /nfs/dbraw/zinc/03/31/62/372033162.db2.gz PKYVAWVTJAVKMJ-AWEZNQCLSA-N 1 1 282.428 3.141 20 30 CGEDMO CC[N@H+](CCSc1ccc(F)cc1)C[C@@H](C)C#N ZINC000157678880 372033223 /nfs/dbraw/zinc/03/32/23/372033223.db2.gz YJXCQHULDLQSLG-LBPRGKRZSA-N 1 1 266.385 3.399 20 30 CGEDMO CC[N@@H+](CCSc1ccc(F)cc1)C[C@@H](C)C#N ZINC000157678880 372033226 /nfs/dbraw/zinc/03/32/26/372033226.db2.gz YJXCQHULDLQSLG-LBPRGKRZSA-N 1 1 266.385 3.399 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000158999693 372096893 /nfs/dbraw/zinc/09/68/93/372096893.db2.gz VWBJECBQABBWAD-UHFFFAOYSA-N 1 1 294.351 3.010 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000158999693 372096899 /nfs/dbraw/zinc/09/68/99/372096899.db2.gz VWBJECBQABBWAD-UHFFFAOYSA-N 1 1 294.351 3.010 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000424755855 372097154 /nfs/dbraw/zinc/09/71/54/372097154.db2.gz FSHSZSUEFKOMAS-LSDHHAIUSA-N 1 1 292.467 3.358 20 30 CGEDMO C[C@@H]1CC[N@@H+](CCCC(C)(C)C#N)C[C@@H]1n1ccnc1 ZINC000159008380 372098630 /nfs/dbraw/zinc/09/86/30/372098630.db2.gz XZBFRKTXTFMZKG-CABCVRRESA-N 1 1 274.412 3.096 20 30 CGEDMO CC[C@@]1(C)CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000344219365 217105662 /nfs/dbraw/zinc/10/56/62/217105662.db2.gz MPTHHFKCTPPWIY-KRWDZBQOSA-N 1 1 285.391 3.009 20 30 CGEDMO CC(C)OCCC[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000426426210 372157726 /nfs/dbraw/zinc/15/77/26/372157726.db2.gz VQMFJOJHRISXRR-UHFFFAOYSA-N 1 1 279.811 3.438 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)C(C)C)nc1 ZINC000426557217 372165361 /nfs/dbraw/zinc/16/53/61/372165361.db2.gz DSMJRGPKVZLZBW-INIZCTEOSA-N 1 1 273.424 3.467 20 30 CGEDMO C#CCCC[N@H+](C)Cc1cc(Br)cs1 ZINC000161094542 372300054 /nfs/dbraw/zinc/30/00/54/372300054.db2.gz NGUUMSAXLDBHGY-UHFFFAOYSA-N 1 1 272.211 3.356 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)ccc1F ZINC000160888412 372286055 /nfs/dbraw/zinc/28/60/55/372286055.db2.gz CECBCTORHXEIRU-MRXNPFEDSA-N 1 1 269.323 3.363 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)ccc1F ZINC000160888412 372286063 /nfs/dbraw/zinc/28/60/63/372286063.db2.gz CECBCTORHXEIRU-MRXNPFEDSA-N 1 1 269.323 3.363 20 30 CGEDMO CC(C)CCC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000429324414 372352535 /nfs/dbraw/zinc/35/25/35/372352535.db2.gz DWDCLXYBCYRWBQ-QGZVFWFLSA-N 1 1 272.392 3.368 20 30 CGEDMO CC(C)CCC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000429324414 372352541 /nfs/dbraw/zinc/35/25/41/372352541.db2.gz DWDCLXYBCYRWBQ-QGZVFWFLSA-N 1 1 272.392 3.368 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)Cc1ccccc1OC(F)F ZINC000429704093 372377463 /nfs/dbraw/zinc/37/74/63/372377463.db2.gz UHSDFKCUJHCHLP-UHFFFAOYSA-N 1 1 298.377 3.228 20 30 CGEDMO C=CCN(C)CC[N@@H+](CC)Cc1ccccc1OC(F)F ZINC000429704093 372377466 /nfs/dbraw/zinc/37/74/66/372377466.db2.gz UHSDFKCUJHCHLP-UHFFFAOYSA-N 1 1 298.377 3.228 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)Cc1ccccc1OC(F)F ZINC000429704093 372377469 /nfs/dbraw/zinc/37/74/69/372377469.db2.gz UHSDFKCUJHCHLP-UHFFFAOYSA-N 1 1 298.377 3.228 20 30 CGEDMO CC(C)(CCC#N)C[N@@H+]1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000430227434 372386046 /nfs/dbraw/zinc/38/60/46/372386046.db2.gz RFFNALIYAXYZPQ-LLVKDONJSA-N 1 1 292.345 3.358 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000430227434 372386051 /nfs/dbraw/zinc/38/60/51/372386051.db2.gz RFFNALIYAXYZPQ-LLVKDONJSA-N 1 1 292.345 3.358 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000430277197 372388887 /nfs/dbraw/zinc/38/88/87/372388887.db2.gz LVRJEBQALSCNJR-QAETUUGQSA-N 1 1 281.440 3.390 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1Cl)C[C@@H]1CCCCO1 ZINC000162878402 372431964 /nfs/dbraw/zinc/43/19/64/372431964.db2.gz LFNLHKRWJCDPAF-AWEZNQCLSA-N 1 1 278.783 3.213 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1Cl)C[C@@H]1CCCCO1 ZINC000162878402 372431968 /nfs/dbraw/zinc/43/19/68/372431968.db2.gz LFNLHKRWJCDPAF-AWEZNQCLSA-N 1 1 278.783 3.213 20 30 CGEDMO C=CC[NH+](CC=C)CC(=O)N[C@H](C)c1ccc(CC)cc1 ZINC000052868589 541877262 /nfs/dbraw/zinc/87/72/62/541877262.db2.gz BSHCGWANHZRNDO-OAHLLOKOSA-N 1 1 286.419 3.100 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@@H]2CF)cc1 ZINC000293878052 372509700 /nfs/dbraw/zinc/50/97/00/372509700.db2.gz CXZYLKXPMMHCOX-OAHLLOKOSA-N 1 1 261.340 3.023 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccc(-c2cc[nH]n2)o1 ZINC000434984611 372722005 /nfs/dbraw/zinc/72/20/05/372722005.db2.gz YHCFRXCQOQJKCI-LBPRGKRZSA-N 1 1 257.337 3.210 20 30 CGEDMO C=CCCCNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437878011 372859523 /nfs/dbraw/zinc/85/95/23/372859523.db2.gz ZYCOIZLOUPUNLS-INIZCTEOSA-N 1 1 293.455 3.049 20 30 CGEDMO C[C@@H]1Cc2[nH+]cn(Cc3cc(C#N)ccc3F)c2C[C@@H]1C ZINC000295726173 372891389 /nfs/dbraw/zinc/89/13/89/372891389.db2.gz HJBQLEJRARSXLR-NEPJUHHUSA-N 1 1 283.350 3.313 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC[C@@H]1CCOC1 ZINC000438123802 372893675 /nfs/dbraw/zinc/89/36/75/372893675.db2.gz TYZDYCZUSRZAQU-NXHRZFHOSA-N 1 1 284.403 3.185 20 30 CGEDMO CC(C)OCCC[N@@H+](C)CC#Cc1ccccc1Cl ZINC000441176661 372998839 /nfs/dbraw/zinc/99/88/39/372998839.db2.gz RGMKVKYYXQLUJN-UHFFFAOYSA-N 1 1 279.811 3.438 20 30 CGEDMO C=CCNC(=O)C[N@H+]1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000441181811 373000973 /nfs/dbraw/zinc/00/09/73/373000973.db2.gz ZAPWQQOQFVLDIZ-QFQMRYFISA-N 1 1 298.430 3.247 20 30 CGEDMO C=CCNC(=O)C[N@H+]1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000441181810 373001491 /nfs/dbraw/zinc/00/14/91/373001491.db2.gz ZAPWQQOQFVLDIZ-MENFKHAKSA-N 1 1 298.430 3.247 20 30 CGEDMO N#CCC[N@@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000440316753 372984635 /nfs/dbraw/zinc/98/46/35/372984635.db2.gz OFZWXBMRVXNGJN-KRWDZBQOSA-N 1 1 254.377 3.270 20 30 CGEDMO N#CCC[N@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000440316753 372984643 /nfs/dbraw/zinc/98/46/43/372984643.db2.gz OFZWXBMRVXNGJN-KRWDZBQOSA-N 1 1 254.377 3.270 20 30 CGEDMO C=CCC[C@H](CC)[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000296367791 373107586 /nfs/dbraw/zinc/10/75/86/373107586.db2.gz JCRJSGITWMEJSZ-XHSDSOJGSA-N 1 1 286.419 3.012 20 30 CGEDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000443337896 373150344 /nfs/dbraw/zinc/15/03/44/373150344.db2.gz WCPLELAZGKVEFM-JKIFEVAISA-N 1 1 291.822 3.173 20 30 CGEDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc(C(F)(F)F)cc1C#N ZINC000443502817 373156210 /nfs/dbraw/zinc/15/62/10/373156210.db2.gz SUCIAXRMQSSTOX-WDEREUQCSA-N 1 1 297.324 3.106 20 30 CGEDMO C[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)C[N@H+]1C ZINC000443515552 373157118 /nfs/dbraw/zinc/15/71/18/373157118.db2.gz BOEZPKFSXZIMQU-MNOVXSKESA-N 1 1 297.324 3.106 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000442903196 373124488 /nfs/dbraw/zinc/12/44/88/373124488.db2.gz XXTRCWZWGMTORW-COXVUDFISA-N 1 1 286.419 3.348 20 30 CGEDMO CC[C@]1(C)CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000173778142 373190860 /nfs/dbraw/zinc/19/08/60/373190860.db2.gz SHYQDZAREIILRT-QGZVFWFLSA-N 1 1 285.391 3.009 20 30 CGEDMO N#Cc1ccc(CNC[C@H](c2ccccc2)[NH+]2CCCC2)o1 ZINC000174238197 373272094 /nfs/dbraw/zinc/27/20/94/373272094.db2.gz JXNJCHSOCPKDKK-GOSISDBHSA-N 1 1 295.386 3.078 20 30 CGEDMO N#Cc1ccc(CNC[C@@H](c2ccccc2)[NH+]2CCCC2)o1 ZINC000174238214 373272523 /nfs/dbraw/zinc/27/25/23/373272523.db2.gz JXNJCHSOCPKDKK-SFHVURJKSA-N 1 1 295.386 3.078 20 30 CGEDMO C=CC[C@H]1[N@H+](CC2CCOCC2)CCCC1(C)C ZINC000444783336 373275343 /nfs/dbraw/zinc/27/53/43/373275343.db2.gz SLKUKIMEUGTEBM-OAHLLOKOSA-N 1 1 251.414 3.480 20 30 CGEDMO CC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCCC[C@H]1C ZINC000444673151 373230073 /nfs/dbraw/zinc/23/00/73/373230073.db2.gz IBLZWZZBBBDZDX-RHSMWYFYSA-N 1 1 299.418 3.397 20 30 CGEDMO C=C(C)C[N@@H+](CCc1cn[nH]c1)Cc1ccccc1 ZINC000297322867 373265760 /nfs/dbraw/zinc/26/57/60/373265760.db2.gz CJUZPHFQIHYSLA-UHFFFAOYSA-N 1 1 255.365 3.031 20 30 CGEDMO C[C@@H]1CC[C@@H](C)[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000174472511 373323006 /nfs/dbraw/zinc/32/30/06/373323006.db2.gz DYMQSTYIHLNDTE-VXGBXAGGSA-N 1 1 291.420 3.069 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2cnn(CC)c2)CCCC1(C)C ZINC000446837333 373369453 /nfs/dbraw/zinc/36/94/53/373369453.db2.gz YZWHKUZUYDTGDT-HNNXBMFYSA-N 1 1 261.413 3.470 20 30 CGEDMO C=CCCCC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000175153446 373418060 /nfs/dbraw/zinc/41/80/60/373418060.db2.gz PPGLHAXHFDUSBJ-UHFFFAOYSA-N 1 1 286.419 3.077 20 30 CGEDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1Cl ZINC000447836337 373505210 /nfs/dbraw/zinc/50/52/10/373505210.db2.gz WZQYRNQQXCIXOA-HOCLYGCPSA-N 1 1 291.822 3.317 20 30 CGEDMO C#CCOc1ccc(C[NH2+][C@@H](C)c2ncc(C)s2)cc1 ZINC000175859178 373530014 /nfs/dbraw/zinc/53/00/14/373530014.db2.gz HKKPFIJMSLYHLS-ZDUSSCGKSA-N 1 1 286.400 3.314 20 30 CGEDMO C=CC(C)(C)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000448716914 373636348 /nfs/dbraw/zinc/63/63/48/373636348.db2.gz WHLIXELFTSMLHN-GASCZTMLSA-N 1 1 280.456 3.073 20 30 CGEDMO COc1cc(C[N@H+]2C[C@H](C)CC[C@H]2C)ccc1C#N ZINC000300115132 373620176 /nfs/dbraw/zinc/62/01/76/373620176.db2.gz CCATXZQKULHXFW-CHWSQXEVSA-N 1 1 258.365 3.187 20 30 CGEDMO C[C@@]1(c2ccccc2)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC000177233378 373668178 /nfs/dbraw/zinc/66/81/78/373668178.db2.gz YMIPCORLNUMYML-IBGZPJMESA-N 1 1 292.382 3.306 20 30 CGEDMO C[C@@]1(c2ccccc2)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC000177233378 373668185 /nfs/dbraw/zinc/66/81/85/373668185.db2.gz YMIPCORLNUMYML-IBGZPJMESA-N 1 1 292.382 3.306 20 30 CGEDMO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000177505933 373688267 /nfs/dbraw/zinc/68/82/67/373688267.db2.gz KKFZYHRQURXXHU-KRWDZBQOSA-N 1 1 283.350 3.373 20 30 CGEDMO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000177505933 373688272 /nfs/dbraw/zinc/68/82/72/373688272.db2.gz KKFZYHRQURXXHU-KRWDZBQOSA-N 1 1 283.350 3.373 20 30 CGEDMO CC[N@@H+](CC#Cc1cccc(Cl)c1)C[C@@H]1CCCO1 ZINC000178927018 373816911 /nfs/dbraw/zinc/81/69/11/373816911.db2.gz DRUZTRCOQLCJBS-INIZCTEOSA-N 1 1 277.795 3.192 20 30 CGEDMO C[C@H]1CSCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000178941301 373818224 /nfs/dbraw/zinc/81/82/24/373818224.db2.gz JNPBMBRLHKJLQW-LBPRGKRZSA-N 1 1 265.809 3.129 20 30 CGEDMO C[C@H]1CSCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000178941301 373818231 /nfs/dbraw/zinc/81/82/31/373818231.db2.gz JNPBMBRLHKJLQW-LBPRGKRZSA-N 1 1 265.809 3.129 20 30 CGEDMO CCO[C@H]1CC[N@@H+](Cc2ccc(C#N)c(C)c2)C[C@H]1C ZINC000449497974 373793467 /nfs/dbraw/zinc/79/34/67/373793467.db2.gz KXHAKMHOVHYRKQ-PBHICJAKSA-N 1 1 272.392 3.114 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000179785419 373917390 /nfs/dbraw/zinc/91/73/90/373917390.db2.gz DKPDSYIDUQXUJA-GOEBONIOSA-N 1 1 274.408 3.150 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CCCCC1 ZINC000449937819 373976909 /nfs/dbraw/zinc/97/69/09/373976909.db2.gz DAZHYIFHBLBYEL-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CCCCC1 ZINC000450102229 373988616 /nfs/dbraw/zinc/98/86/16/373988616.db2.gz DTUNOYYDAHYMOP-HOCLYGCPSA-N 1 1 290.451 3.112 20 30 CGEDMO CC1(C)c2ccccc2CC[N@@H+]1CC1(C#N)CCC1 ZINC000574485448 335023262 /nfs/dbraw/zinc/02/32/62/335023262.db2.gz UFXSDNBBFNVNDY-UHFFFAOYSA-N 1 1 254.377 3.474 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000181149608 374086211 /nfs/dbraw/zinc/08/62/11/374086211.db2.gz DYIFEAXALDIXIN-CYBMUJFWSA-N 1 1 255.365 3.237 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000181149608 374086218 /nfs/dbraw/zinc/08/62/18/374086218.db2.gz DYIFEAXALDIXIN-CYBMUJFWSA-N 1 1 255.365 3.237 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000181149608 374086224 /nfs/dbraw/zinc/08/62/24/374086224.db2.gz DYIFEAXALDIXIN-CYBMUJFWSA-N 1 1 255.365 3.237 20 30 CGEDMO N#CC1(C[N@H+](CCc2ccccc2)[C@@H]2CCOC2)CCC1 ZINC000450489806 374155792 /nfs/dbraw/zinc/15/57/92/374155792.db2.gz RGOHXOGIEBQGDH-QGZVFWFLSA-N 1 1 284.403 3.014 20 30 CGEDMO N#CC1(C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)CCC1 ZINC000450489806 374155796 /nfs/dbraw/zinc/15/57/96/374155796.db2.gz RGOHXOGIEBQGDH-QGZVFWFLSA-N 1 1 284.403 3.014 20 30 CGEDMO C[C@@H](C#N)C[N@H+](C[C@H]1CCCCC1(F)F)C1CC1 ZINC000450610578 374164460 /nfs/dbraw/zinc/16/44/60/374164460.db2.gz HBJFCOLXJIBEMI-NWDGAFQWSA-N 1 1 256.340 3.436 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C[C@H]1CCCCC1(F)F)C1CC1 ZINC000450610578 374164468 /nfs/dbraw/zinc/16/44/68/374164468.db2.gz HBJFCOLXJIBEMI-NWDGAFQWSA-N 1 1 256.340 3.436 20 30 CGEDMO CC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000316121558 374331690 /nfs/dbraw/zinc/33/16/90/374331690.db2.gz DHBKJZFQSURVLW-CABCVRRESA-N 1 1 299.418 3.397 20 30 CGEDMO C[C@H]1CN(Cc2ccccc2)CC[N@@H+](CCCCC#N)C1 ZINC000323803612 374355201 /nfs/dbraw/zinc/35/52/01/374355201.db2.gz JQPWJAXJLAKONW-QGZVFWFLSA-N 1 1 285.435 3.134 20 30 CGEDMO C[C@@H]1CN(CCCCC#N)CC[N@H+](Cc2ccccc2)C1 ZINC000323803612 374355205 /nfs/dbraw/zinc/35/52/05/374355205.db2.gz JQPWJAXJLAKONW-QGZVFWFLSA-N 1 1 285.435 3.134 20 30 CGEDMO C[C@@H]1CN(CCCCC#N)CC[N@@H+](Cc2ccccc2)C1 ZINC000323803612 374355209 /nfs/dbraw/zinc/35/52/09/374355209.db2.gz JQPWJAXJLAKONW-QGZVFWFLSA-N 1 1 285.435 3.134 20 30 CGEDMO C[C@H](NC(=O)C1(C#N)CCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000329309855 374404034 /nfs/dbraw/zinc/40/40/34/374404034.db2.gz QQGRLCUTCDLXSK-KBPBESRZSA-N 1 1 289.423 3.290 20 30 CGEDMO C[C@](C#N)(NC(=O)C[N@H+]1CC(C)(C)[C@@H]2CCC[C@H]21)C1CC1 ZINC000328853417 374387205 /nfs/dbraw/zinc/38/72/05/374387205.db2.gz JEVWQHKONHMSOF-CKEIUWERSA-N 1 1 289.423 3.146 20 30 CGEDMO COc1c(C)cnc(C[N@@H+](C)CC(C)(C)CCC#N)c1C ZINC000183782917 374455119 /nfs/dbraw/zinc/45/51/19/374455119.db2.gz CQPWUAYSPXCTLQ-UHFFFAOYSA-N 1 1 289.423 3.469 20 30 CGEDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000330367946 374456068 /nfs/dbraw/zinc/45/60/68/374456068.db2.gz IOPYJVGJCFUTRV-RHSMWYFYSA-N 1 1 299.418 3.397 20 30 CGEDMO C[C@@H](C#N)CNC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000183818243 374460752 /nfs/dbraw/zinc/46/07/52/374460752.db2.gz LSSGAFLUNDINRQ-ZDUSSCGKSA-N 1 1 291.826 3.054 20 30 CGEDMO CC[C@H]1C[C@@H](C)C[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000330956646 374492057 /nfs/dbraw/zinc/49/20/57/374492057.db2.gz VABIQMUCZHBJPQ-YPMHNXCESA-N 1 1 291.420 3.069 20 30 CGEDMO Cn1c2ccc(F)cc2[nH+]c1NCc1ccc(C#N)cc1 ZINC000184255008 374507989 /nfs/dbraw/zinc/50/79/89/374507989.db2.gz VVMWHUNCVMCSMW-UHFFFAOYSA-N 1 1 280.306 3.196 20 30 CGEDMO CCC[N@@H+](Cc1cnoc1C)Cc1ccc(C#N)cc1 ZINC000185182309 374603908 /nfs/dbraw/zinc/60/39/08/374603908.db2.gz OQYRLCMTSOREQN-UHFFFAOYSA-N 1 1 269.348 3.267 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@H]2COc3ccc(Cl)cc32)s1 ZINC000334351628 374676436 /nfs/dbraw/zinc/67/64/36/374676436.db2.gz GLGIUEZXYUEAKS-ZDUSSCGKSA-N 1 1 290.775 3.496 20 30 CGEDMO C[C@H]1C[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC(C)(C)C1 ZINC000459404672 374807723 /nfs/dbraw/zinc/80/77/23/374807723.db2.gz HSYNGBJIVZEDQP-GFCCVEGCSA-N 1 1 287.363 3.334 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC(C)(C)C1 ZINC000459404672 374807728 /nfs/dbraw/zinc/80/77/28/374807728.db2.gz HSYNGBJIVZEDQP-GFCCVEGCSA-N 1 1 287.363 3.334 20 30 CGEDMO COc1ccc(Cl)c(C[NH+]2CCC(C)(C#N)CC2)c1 ZINC000334535004 374830957 /nfs/dbraw/zinc/83/09/57/374830957.db2.gz HJQPMPYRRIIZQK-UHFFFAOYSA-N 1 1 278.783 3.474 20 30 CGEDMO C=CCC1(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CCCC1 ZINC000334565655 374865382 /nfs/dbraw/zinc/86/53/82/374865382.db2.gz QBTCRSRZQUNYMG-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000470774960 374998792 /nfs/dbraw/zinc/99/87/92/374998792.db2.gz VRDBCNKIPXPKFE-NVXWUHKLSA-N 1 1 259.393 3.457 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@H]1CCCOC1 ZINC000470925430 375000603 /nfs/dbraw/zinc/00/06/03/375000603.db2.gz HCBOBSIBFBAMAY-QGZVFWFLSA-N 1 1 259.393 3.491 20 30 CGEDMO C[N@@H+](Cc1cc(F)ccc1C#N)CC1(O)CCCCCC1 ZINC000187364521 375010186 /nfs/dbraw/zinc/01/01/86/375010186.db2.gz FBSFZSJOXARCOY-UHFFFAOYSA-N 1 1 290.382 3.214 20 30 CGEDMO C=C(C)[C@H]([NH2+]Cc1cncn1C)c1ccc(F)c(F)c1 ZINC000187371108 375010243 /nfs/dbraw/zinc/01/02/43/375010243.db2.gz RTTVEQRGGPZVSM-HNNXBMFYSA-N 1 1 277.318 3.105 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1Cc1ccc(C)cc1 ZINC000472737772 375032482 /nfs/dbraw/zinc/03/24/82/375032482.db2.gz RCLKGFSYWOSSCL-ZWKOTPCHSA-N 1 1 273.420 3.329 20 30 CGEDMO C=CCOc1ccc(C[N@H+](CCOC)C(C)(C)C)cc1 ZINC000474170311 375086557 /nfs/dbraw/zinc/08/65/57/375086557.db2.gz BAFMFDQYIARHNN-UHFFFAOYSA-N 1 1 277.408 3.498 20 30 CGEDMO C=CCCC[N@H+](C)CCCc1ccc2c(c1)CCO2 ZINC000482151956 375166891 /nfs/dbraw/zinc/16/68/91/375166891.db2.gz VLJLQLWLMLNLDC-UHFFFAOYSA-N 1 1 259.393 3.452 20 30 CGEDMO C=CC[NH+]1CCC(N[C@@H](C)c2ccccc2OCC)CC1 ZINC000482638359 375171391 /nfs/dbraw/zinc/17/13/91/375171391.db2.gz ZTJVPMVPTACSMS-HNNXBMFYSA-N 1 1 288.435 3.386 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000483428628 375181759 /nfs/dbraw/zinc/18/17/59/375181759.db2.gz DHYADQOHFTUNMK-UHFFFAOYSA-N 1 1 289.419 3.425 20 30 CGEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CC[C@@H](C)O1 ZINC000188544076 375228952 /nfs/dbraw/zinc/22/89/52/375228952.db2.gz UJZWQDLFAXITBG-PBHICJAKSA-N 1 1 272.392 3.336 20 30 CGEDMO Cc1cc(F)ccc1C[N@@H+](C)CCCSCC#N ZINC000488006527 375293612 /nfs/dbraw/zinc/29/36/12/375293612.db2.gz GJCWIKAJLZFJQL-UHFFFAOYSA-N 1 1 266.385 3.213 20 30 CGEDMO C=CCCCCC[N@@H+]1CCN(C(=O)C2CC2)CC1(C)C ZINC000488162802 375305350 /nfs/dbraw/zinc/30/53/50/375305350.db2.gz NUSAVBQWFVPQTQ-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CCC[C@@H]2c2cccnc2)c1 ZINC000335716750 375370740 /nfs/dbraw/zinc/37/07/40/375370740.db2.gz VKQMRVCSYZKEJJ-OAHLLOKOSA-N 1 1 269.373 3.352 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@@H]2c2cccnc2)c1 ZINC000335716750 375370747 /nfs/dbraw/zinc/37/07/47/375370747.db2.gz VKQMRVCSYZKEJJ-OAHLLOKOSA-N 1 1 269.373 3.352 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]2C2CCOCC2)c1F ZINC000335732562 375385987 /nfs/dbraw/zinc/38/59/87/375385987.db2.gz DVPAKFFNTYTYCL-MRXNPFEDSA-N 1 1 288.366 3.088 20 30 CGEDMO C/C(=C/c1ccccc1)C[N@H+](C)C[C@H](C#N)CCC#N ZINC000494269021 375487125 /nfs/dbraw/zinc/48/71/25/375487125.db2.gz UIIHOJBFAOQUJT-HKBKRHGFSA-N 1 1 267.376 3.465 20 30 CGEDMO C/C(=C/c1ccccc1)C[N@@H+](C)C[C@H](C#N)CCC#N ZINC000494269021 375487128 /nfs/dbraw/zinc/48/71/28/375487128.db2.gz UIIHOJBFAOQUJT-HKBKRHGFSA-N 1 1 267.376 3.465 20 30 CGEDMO C=CC[N@H+](C)C[C@H](O)COc1ccc(C(C)(C)C)cc1C ZINC000494706470 375492584 /nfs/dbraw/zinc/49/25/84/375492584.db2.gz FDUCLGKVCUAPKD-INIZCTEOSA-N 1 1 291.435 3.150 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@@H]2c2cccs2)cc1C#N ZINC000191183537 375590916 /nfs/dbraw/zinc/59/09/16/375590916.db2.gz MBHNGMBHAYPHSX-CQSZACIVSA-N 1 1 271.389 3.295 20 30 CGEDMO N#Cc1cc(F)ccc1C[NH+]1CCC2(CCOCC2)CC1 ZINC000335933467 375550377 /nfs/dbraw/zinc/55/03/77/375550377.db2.gz JYFHLEYOKNDEIH-UHFFFAOYSA-N 1 1 288.366 3.090 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000496771315 375554506 /nfs/dbraw/zinc/55/45/06/375554506.db2.gz CHSPWYGWDFOCPB-KBPBESRZSA-N 1 1 282.428 3.330 20 30 CGEDMO CCCC1CCC([N@@H+](C)CC(=O)N(CC)CCC#N)CC1 ZINC000191420478 375626836 /nfs/dbraw/zinc/62/68/36/375626836.db2.gz NXZVMDZGXBUNFN-UHFFFAOYSA-N 1 1 293.455 3.039 20 30 CGEDMO C=CC[C@H](CO)C[NH2+][C@@H](CCc1ccccc1)C(F)F ZINC000498746443 375629403 /nfs/dbraw/zinc/62/94/03/375629403.db2.gz FUUAMEYZUQKZDG-GJZGRUSLSA-N 1 1 283.362 3.027 20 30 CGEDMO Cc1[nH+]cn(Cc2cc(C#N)ccc2Br)c1C ZINC000191742952 375657804 /nfs/dbraw/zinc/65/78/04/375657804.db2.gz VQRNZOUKHASYEM-UHFFFAOYSA-N 1 1 290.164 3.182 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)NC(C)(C)CC ZINC000502468112 375645714 /nfs/dbraw/zinc/64/57/14/375645714.db2.gz MOLKOSSTVFRXEM-HNNXBMFYSA-N 1 1 288.435 3.368 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)NC(C)(C)CC ZINC000502468112 375645720 /nfs/dbraw/zinc/64/57/20/375645720.db2.gz MOLKOSSTVFRXEM-HNNXBMFYSA-N 1 1 288.435 3.368 20 30 CGEDMO C=CCC(CC=C)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000123846123 542030374 /nfs/dbraw/zinc/03/03/74/542030374.db2.gz GBTNOSAPMUXUAT-IYBDPMFKSA-N 1 1 292.467 3.239 20 30 CGEDMO CC1=C(c2ccco2)C[N@@H+](Cc2ccc(C#N)o2)CC1 ZINC000334267593 206283521 /nfs/dbraw/zinc/28/35/21/206283521.db2.gz NXWONMQENOBONK-UHFFFAOYSA-N 1 1 268.316 3.424 20 30 CGEDMO C=C(C)CC[N@@H+](CC(N)=O)[C@H](C)c1ccc(CCC)cc1 ZINC000509373689 375779544 /nfs/dbraw/zinc/77/95/44/375779544.db2.gz PMBRZXMTWSIPOE-OAHLLOKOSA-N 1 1 288.435 3.454 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000336460949 375796998 /nfs/dbraw/zinc/79/69/98/375796998.db2.gz RBSQTSAZWRPYDQ-DLBZAZTESA-N 1 1 284.403 3.241 20 30 CGEDMO N#CC1(CC[N@H+]2CCC[C@@H]2c2cc[nH]n2)CCCCC1 ZINC000514920151 375808208 /nfs/dbraw/zinc/80/82/08/375808208.db2.gz DYPTYGZLVRVIIH-OAHLLOKOSA-N 1 1 272.396 3.411 20 30 CGEDMO N#CC1(CC[N@H+]2CCC[C@H]2c2cc[nH]n2)CCCCC1 ZINC000514920149 375808703 /nfs/dbraw/zinc/80/87/03/375808703.db2.gz DYPTYGZLVRVIIH-HNNXBMFYSA-N 1 1 272.396 3.411 20 30 CGEDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000336542216 375819902 /nfs/dbraw/zinc/81/99/02/375819902.db2.gz CLNSYCWAPWIUQK-BXKDBHETSA-N 1 1 286.272 3.470 20 30 CGEDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC000336542216 375819908 /nfs/dbraw/zinc/81/99/08/375819908.db2.gz CLNSYCWAPWIUQK-BXKDBHETSA-N 1 1 286.272 3.470 20 30 CGEDMO COc1cccc(C[C@H]2CCCCC[N@H+]2CCC#N)c1 ZINC000528750636 375909070 /nfs/dbraw/zinc/90/90/70/375909070.db2.gz QPGLCQZEGIKCEW-MRXNPFEDSA-N 1 1 272.392 3.396 20 30 CGEDMO C[C@@H]1[C@H](Nc2cccc(C#N)n2)CC[N@H+]1Cc1ccccc1 ZINC000336710779 375914621 /nfs/dbraw/zinc/91/46/21/375914621.db2.gz KWKQOFWWJDMPOH-RHSMWYFYSA-N 1 1 292.386 3.028 20 30 CGEDMO CC[C@H]1CCCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000337136420 376092770 /nfs/dbraw/zinc/09/27/70/376092770.db2.gz ONTAHMBNQYDBAB-HNNXBMFYSA-N 1 1 264.413 3.351 20 30 CGEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2c2ccc(C)c(C)c2)C1=O ZINC000337145229 376099846 /nfs/dbraw/zinc/09/98/46/376099846.db2.gz XGSFCUQWOCXQSO-ZWKOTPCHSA-N 1 1 298.430 3.227 20 30 CGEDMO C=CCN1CC[C@H]([N@H+](Cc2ccccc2)C(C)(C)C)C1=O ZINC000337145084 376100995 /nfs/dbraw/zinc/10/09/95/376100995.db2.gz DKDIUVODBCVRPR-INIZCTEOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000337258382 376170968 /nfs/dbraw/zinc/17/09/68/376170968.db2.gz UYQBPJYTYAXXBV-HNNXBMFYSA-N 1 1 262.397 3.127 20 30 CGEDMO C=CCN1CC[C@H]([N@H+](C)C2CCC(CCC)CC2)C1=O ZINC000337262973 376175053 /nfs/dbraw/zinc/17/50/53/376175053.db2.gz WWGZFAZRZFPJDI-GPANFISMSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2C[C@H](O)[C@@H](CC)C2)cc1Cl ZINC000538794305 376272772 /nfs/dbraw/zinc/27/27/72/376272772.db2.gz SXJAUBRHUMGWLF-ZFWWWQNUSA-N 1 1 295.810 3.108 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccncc1F ZINC000338355860 376347063 /nfs/dbraw/zinc/34/70/63/376347063.db2.gz LQMPQUPIDVKGRK-JTQLQIEISA-N 1 1 273.286 3.082 20 30 CGEDMO CCCC[N@H+](CC#Cc1ccccc1Cl)CCCO ZINC000540427398 376374261 /nfs/dbraw/zinc/37/42/61/376374261.db2.gz TVMVGLYRHVSVGT-UHFFFAOYSA-N 1 1 279.811 3.176 20 30 CGEDMO C=CC[N@@H+](Cc1nc2ccccc2n1CC)C1CC1 ZINC000541762047 376478730 /nfs/dbraw/zinc/47/87/30/376478730.db2.gz NGURZIZXZQGTPE-UHFFFAOYSA-N 1 1 255.365 3.207 20 30 CGEDMO C=CC[N@H+](Cc1nc2ccccc2n1CC)C1CC1 ZINC000541762047 376478742 /nfs/dbraw/zinc/47/87/42/376478742.db2.gz NGURZIZXZQGTPE-UHFFFAOYSA-N 1 1 255.365 3.207 20 30 CGEDMO C[C@@H]1CCSCC[N@H+]1Cc1cccc(C#N)c1F ZINC000334300618 206332522 /nfs/dbraw/zinc/33/25/22/206332522.db2.gz VAVWEKMSHWHBOT-LLVKDONJSA-N 1 1 264.369 3.025 20 30 CGEDMO C[C@@H]1C[N@@H+](CCOc2ccccc2C#N)[C@H]2CCCC[C@@H]12 ZINC000542968314 376594657 /nfs/dbraw/zinc/59/46/57/376594657.db2.gz YWSCEWWEXUGBJN-PVAVHDDUSA-N 1 1 284.403 3.448 20 30 CGEDMO COc1cc(C[N@@H+](C)CCc2ccccc2)ccc1C#N ZINC000234922326 376624884 /nfs/dbraw/zinc/62/48/84/376624884.db2.gz MTOJYQLRBINGRB-UHFFFAOYSA-N 1 1 280.371 3.241 20 30 CGEDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000235256448 376637230 /nfs/dbraw/zinc/63/72/30/376637230.db2.gz VKGORSIICJUYHQ-CXAGYDPISA-N 1 1 290.382 3.213 20 30 CGEDMO Cc1cc(C)n(CC[N@@H+](Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000264554301 190118179 /nfs/dbraw/zinc/11/81/79/190118179.db2.gz KRYDMXRSDDIHDG-UHFFFAOYSA-N 1 1 294.402 3.036 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@H]1CSc1cc(C#N)ccn1 ZINC000339113806 376687692 /nfs/dbraw/zinc/68/76/92/376687692.db2.gz HPBNJPQLXJWJEM-AWEZNQCLSA-N 1 1 275.421 3.308 20 30 CGEDMO C[C@@H](CNc1ncc(C#N)cc1Cl)[N@H+]1CCCC[C@@H]1C ZINC000339135585 376701670 /nfs/dbraw/zinc/70/16/70/376701670.db2.gz FKFWKYWAZBXQRA-RYUDHWBXSA-N 1 1 292.814 3.281 20 30 CGEDMO C=CCOCCC[N@@H+]1CCCC[C@H]1c1nccn1CC ZINC000339150270 376711739 /nfs/dbraw/zinc/71/17/39/376711739.db2.gz UPVWRQWUPZSYBM-HNNXBMFYSA-N 1 1 277.412 3.023 20 30 CGEDMO C=CCOCC[N@H+](C)[C@H](CC)c1ccccc1OC ZINC000339206872 376734789 /nfs/dbraw/zinc/73/47/89/376734789.db2.gz WBKRXLHWUKZXAG-OAHLLOKOSA-N 1 1 263.381 3.281 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H](CC2CC2)C1 ZINC000339685287 376808690 /nfs/dbraw/zinc/80/86/90/376808690.db2.gz XRZMKUMWWHTENK-CYBMUJFWSA-N 1 1 258.340 3.319 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245587426 376862269 /nfs/dbraw/zinc/86/22/69/376862269.db2.gz FGJIVVFEHAVXRB-HUUCEWRRSA-N 1 1 287.469 3.020 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](C)[C@@H]1C ZINC000245896483 376926703 /nfs/dbraw/zinc/92/67/03/376926703.db2.gz KLVCECUYFDIOHA-OLZOCXBDSA-N 1 1 258.365 3.187 20 30 CGEDMO CC[C@@H](C)C[N@H+](CC)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000245930847 376937048 /nfs/dbraw/zinc/93/70/48/376937048.db2.gz YLRNDCLELVPQOH-CZUORRHYSA-N 1 1 288.391 3.140 20 30 CGEDMO CC[C@@H](C)C[N@@H+](CC)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000245930847 376937056 /nfs/dbraw/zinc/93/70/56/376937056.db2.gz YLRNDCLELVPQOH-CZUORRHYSA-N 1 1 288.391 3.140 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@@H](CC)Cc1ccccc1 ZINC000246890730 377112081 /nfs/dbraw/zinc/11/20/81/377112081.db2.gz DTWQPKBTZXSHEU-IRXDYDNUSA-N 1 1 261.409 3.267 20 30 CGEDMO CC[C@H](C)[N@H+](C)CCN[C@@H](CC)c1ccc(C#N)cc1 ZINC000559984457 377112195 /nfs/dbraw/zinc/11/21/95/377112195.db2.gz IWNXWMKMVPXTML-YOEHRIQHSA-N 1 1 273.424 3.329 20 30 CGEDMO CC[C@H](C)[N@@H+](C)CCN[C@@H](CC)c1ccc(C#N)cc1 ZINC000559984457 377112199 /nfs/dbraw/zinc/11/21/99/377112199.db2.gz IWNXWMKMVPXTML-YOEHRIQHSA-N 1 1 273.424 3.329 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246815536 377094710 /nfs/dbraw/zinc/09/47/10/377094710.db2.gz REZWONOPZNGQEG-DOTOQJQBSA-N 1 1 289.467 3.265 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000248217230 377281929 /nfs/dbraw/zinc/28/19/29/377281929.db2.gz GSNMHINUXMBFSD-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000248623746 377368982 /nfs/dbraw/zinc/36/89/82/377368982.db2.gz NCNSGVHQUZRUGV-FZKCQIBNSA-N 1 1 280.456 3.071 20 30 CGEDMO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000563198183 377420142 /nfs/dbraw/zinc/42/01/42/377420142.db2.gz FJYRNFOGUDUKFD-HNNXBMFYSA-N 1 1 292.423 3.267 20 30 CGEDMO CC(C)OC(=O)[C@@H]1CCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000563198183 377420149 /nfs/dbraw/zinc/42/01/49/377420149.db2.gz FJYRNFOGUDUKFD-HNNXBMFYSA-N 1 1 292.423 3.267 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000249281882 377486917 /nfs/dbraw/zinc/48/69/17/377486917.db2.gz NTXRIONJEIZIGP-CRAIPNDOSA-N 1 1 285.435 3.425 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000565580121 377488827 /nfs/dbraw/zinc/48/88/27/377488827.db2.gz VRINVLHDMRPZEK-AWEZNQCLSA-N 1 1 274.412 3.218 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000565580121 377488832 /nfs/dbraw/zinc/48/88/32/377488832.db2.gz VRINVLHDMRPZEK-AWEZNQCLSA-N 1 1 274.412 3.218 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000565580121 377488842 /nfs/dbraw/zinc/48/88/42/377488842.db2.gz VRINVLHDMRPZEK-AWEZNQCLSA-N 1 1 274.412 3.218 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)C[C@@H]1CCCC[C@@H]1O ZINC000567990316 377511343 /nfs/dbraw/zinc/51/13/43/377511343.db2.gz SLKPHBFGVJPPGN-HOTGVXAUSA-N 1 1 266.429 3.189 20 30 CGEDMO CC(C)c1[nH+]c(CNCC(C)(C)CC#N)c2ccccn21 ZINC000568034111 377512959 /nfs/dbraw/zinc/51/29/59/377512959.db2.gz IOFFANONWZSSHB-UHFFFAOYSA-N 1 1 284.407 3.487 20 30 CGEDMO C=CCOCC[N@H+](C)[C@@H](CC)Cc1ccc(C)cc1 ZINC000570297653 377534073 /nfs/dbraw/zinc/53/40/73/377534073.db2.gz BKCAXCUZTHGXFJ-KRWDZBQOSA-N 1 1 261.409 3.451 20 30 CGEDMO CCCC[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000312663796 249081413 /nfs/dbraw/zinc/08/14/13/249081413.db2.gz KZUNPKCWWWHLKT-ZDUSSCGKSA-N 1 1 273.380 3.007 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000571852100 377543065 /nfs/dbraw/zinc/54/30/65/377543065.db2.gz QIADNKZBAAIAJF-GFCCVEGCSA-N 1 1 265.319 3.122 20 30 CGEDMO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)C#N)[C@H]1Sc1ccccc1 ZINC000571859049 377544530 /nfs/dbraw/zinc/54/45/30/377544530.db2.gz SJZPTQGOJQMYDT-DTZQCDIJSA-N 1 1 290.432 3.074 20 30 CGEDMO CC[N@H+]1CCCN(c2cccc(C(F)F)c2C#N)CC1 ZINC000516089113 249225070 /nfs/dbraw/zinc/22/50/70/249225070.db2.gz SYCCNYXTEQTJNZ-UHFFFAOYSA-N 1 1 279.334 3.028 20 30 CGEDMO C[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)[C@H]1C ZINC000252127907 377615317 /nfs/dbraw/zinc/61/53/17/377615317.db2.gz KILXHVRCOWBOPJ-KBPBESRZSA-N 1 1 285.391 3.007 20 30 CGEDMO C=CC[C@H](C)NC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000342485891 377651655 /nfs/dbraw/zinc/65/16/55/377651655.db2.gz XFPXCQJOPLKCIR-LSDHHAIUSA-N 1 1 295.471 3.151 20 30 CGEDMO N#CCCCC[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253099961 377676615 /nfs/dbraw/zinc/67/66/15/377676615.db2.gz VUYQTIOCDNXZPJ-OAGGEKHMSA-N 1 1 264.413 3.086 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](O)COc1ccccc1C(C)C ZINC000342767106 377779711 /nfs/dbraw/zinc/77/97/11/377779711.db2.gz WNLACWRHTBXGNJ-OAHLLOKOSA-N 1 1 277.408 3.058 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000342729629 377760379 /nfs/dbraw/zinc/76/03/79/377760379.db2.gz XKDBJRWZFNJSAF-GJZGRUSLSA-N 1 1 286.419 3.251 20 30 CGEDMO C=CCC[N@H+](C)Cc1nc2cc(F)ccc2n1CC ZINC000342740317 377766745 /nfs/dbraw/zinc/76/67/45/377766745.db2.gz SNHMJQBCLGWYGP-UHFFFAOYSA-N 1 1 261.344 3.203 20 30 CGEDMO COc1ccc2cc(C[NH2+]CC3(C#N)CC3)ccc2c1 ZINC000258973325 377802738 /nfs/dbraw/zinc/80/27/38/377802738.db2.gz TWRWAMBUWPJTMX-UHFFFAOYSA-N 1 1 266.344 3.242 20 30 CGEDMO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CC2(C#N)CC2)C1 ZINC000343320817 377951534 /nfs/dbraw/zinc/95/15/34/377951534.db2.gz MVMHDYTXOHEEQC-LSDHHAIUSA-N 1 1 254.377 3.477 20 30 CGEDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000264593529 377989669 /nfs/dbraw/zinc/98/96/69/377989669.db2.gz HIIIYKZFOFNPFC-AWEZNQCLSA-N 1 1 296.370 3.488 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)CC[C@@H]2CCCO2)cc1 ZINC000343501883 377997825 /nfs/dbraw/zinc/99/78/25/377997825.db2.gz YNLWFFRFWFLRLU-INIZCTEOSA-N 1 1 275.392 3.252 20 30 CGEDMO C#CC[N@@H+](CC)[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000266947908 378028907 /nfs/dbraw/zinc/02/89/07/378028907.db2.gz SRHVSTMEVKMGII-NSHDSACASA-N 1 1 277.318 3.448 20 30 CGEDMO C#CC[N@H+](CC)[C@@H](C)c1nc2ccccc2n1C(F)F ZINC000266947908 378028912 /nfs/dbraw/zinc/02/89/12/378028912.db2.gz SRHVSTMEVKMGII-NSHDSACASA-N 1 1 277.318 3.448 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNCc2cc(C#N)cs2)C1 ZINC000343624628 378045324 /nfs/dbraw/zinc/04/53/24/378045324.db2.gz WYPSMNKKYAUOIL-OKILXGFUSA-N 1 1 291.464 3.077 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CCC[C@H]3CCC[C@H]32)cc1 ZINC000266538237 378023008 /nfs/dbraw/zinc/02/30/08/378023008.db2.gz PBHUZZUYFYALJD-NVXWUHKLSA-N 1 1 270.376 3.353 20 30 CGEDMO C=CCC[C@H](CC)[NH2+][C@H](CC)C(=O)OC(C)(C)C ZINC000579064703 378127231 /nfs/dbraw/zinc/12/72/31/378127231.db2.gz KICRGBFCQIASHE-QWHCGFSZSA-N 1 1 255.402 3.441 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1F)C[C@H]1CC=CCC1 ZINC000344012442 378154413 /nfs/dbraw/zinc/15/44/13/378154413.db2.gz CARMPVQWJHENSO-ZDUSSCGKSA-N 1 1 258.340 3.485 20 30 CGEDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000268736503 378098402 /nfs/dbraw/zinc/09/84/02/378098402.db2.gz YKRNTMIBCHFVAC-BVPBIZIASA-N 1 1 284.403 3.245 20 30 CGEDMO CC[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])CC1CCC1 ZINC000579958067 378211774 /nfs/dbraw/zinc/21/17/74/378211774.db2.gz PPNQCSZTXWAXBR-UHFFFAOYSA-N 1 1 273.336 3.088 20 30 CGEDMO N#Cc1cccc(C2([NH2+]Cc3cccnc3Cl)CC2)c1 ZINC000269599028 378241081 /nfs/dbraw/zinc/24/10/81/378241081.db2.gz HIJQCTCFJSOZKY-UHFFFAOYSA-N 1 1 283.762 3.386 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000269617374 378242791 /nfs/dbraw/zinc/24/27/91/378242791.db2.gz CXZYGIKFGVJTLS-HOTGVXAUSA-N 1 1 263.356 3.290 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2cccc(C#N)n2)C1 ZINC000270027761 378297457 /nfs/dbraw/zinc/29/74/57/378297457.db2.gz GDNOVXGWUYAMHL-HZPDHXFCSA-N 1 1 298.434 3.044 20 30 CGEDMO CC[N@H+]1CC[C@@H](N(C)Cc2cc(F)ccc2C#N)C[C@@H]1C ZINC000345889646 378401160 /nfs/dbraw/zinc/40/11/60/378401160.db2.gz KYIHFUXQZSNVSX-SUMWQHHRSA-N 1 1 289.398 3.002 20 30 CGEDMO CC#CC[NH2+][C@@H](C)c1nc2ccccc2n1C(F)F ZINC000270572042 378369764 /nfs/dbraw/zinc/36/97/64/378369764.db2.gz NJONISFCIGPRIL-JTQLQIEISA-N 1 1 263.291 3.105 20 30 CGEDMO C=CCCC[C@@H](C)[N@@H+]1CC[S@](=O)C(CC)(CC)C1 ZINC000346034991 378445737 /nfs/dbraw/zinc/44/57/37/378445737.db2.gz SLDMJZRXRFKPBH-KDOFPFPSSA-N 1 1 271.470 3.354 20 30 CGEDMO C#CCCC[N@H+](CCCCOC)Cc1ccccc1 ZINC000271073797 378447022 /nfs/dbraw/zinc/44/70/22/378447022.db2.gz WJNXTPHSWCFAIM-UHFFFAOYSA-N 1 1 259.393 3.329 20 30 CGEDMO C#CCCCNc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000270967150 378420376 /nfs/dbraw/zinc/42/03/76/378420376.db2.gz ZCRUEKHUYKBGGZ-IYBDPMFKSA-N 1 1 286.419 3.121 20 30 CGEDMO C#CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000270973369 378420678 /nfs/dbraw/zinc/42/06/78/378420678.db2.gz BDPSXICKXXOGPX-KRWDZBQOSA-N 1 1 299.418 3.076 20 30 CGEDMO COc1cccc(C[N@@H+](C)CC(C)(C)CCC#N)c1 ZINC000271024033 378429923 /nfs/dbraw/zinc/42/99/23/378429923.db2.gz VSRPBOISPOGCMD-UHFFFAOYSA-N 1 1 260.381 3.457 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](OC)C2)cc1Cl ZINC000271198620 378479499 /nfs/dbraw/zinc/47/94/99/378479499.db2.gz SLOHOHNXSDWSDJ-ZDUSSCGKSA-N 1 1 281.783 3.126 20 30 CGEDMO C=CCCC[N@@H+](C)Cc1csc(CC(=O)OC(C)C)n1 ZINC000346953145 378698492 /nfs/dbraw/zinc/69/84/92/378698492.db2.gz ANURKSPLAXWMIY-UHFFFAOYSA-N 1 1 296.436 3.035 20 30 CGEDMO C=CCCC[N@H+](C)Cc1csc(CC(=O)OC(C)C)n1 ZINC000346953145 378698504 /nfs/dbraw/zinc/69/85/04/378698504.db2.gz ANURKSPLAXWMIY-UHFFFAOYSA-N 1 1 296.436 3.035 20 30 CGEDMO C=CCOCCC[N@H+]1[C@@H](C)COC[C@@H]1c1ccccc1 ZINC000348028978 378757966 /nfs/dbraw/zinc/75/79/66/378757966.db2.gz HCLWREDDEDFULA-DOTOQJQBSA-N 1 1 275.392 3.041 20 30 CGEDMO CC[C@H](CC#N)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000273875448 378760353 /nfs/dbraw/zinc/76/03/53/378760353.db2.gz PMEAMMZAEMWWDK-CGTJXYLNSA-N 1 1 285.435 3.321 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCC3(CCC3)C2)cc1F ZINC000348181754 378825609 /nfs/dbraw/zinc/82/56/09/378825609.db2.gz OURNSFIRHZIXMR-UHFFFAOYSA-N 1 1 258.340 3.463 20 30 CGEDMO C=CCOc1ccc(C[N@H+](CC2CCC2)[C@H](C)CO)cc1 ZINC000348290508 378889635 /nfs/dbraw/zinc/88/96/35/378889635.db2.gz OPBZIMAJHRFZMF-OAHLLOKOSA-N 1 1 289.419 3.234 20 30 CGEDMO C=C(C)CC[N@@H+](C)Cc1nc([C@@H](C)OCC(C)C)no1 ZINC000274790889 378897232 /nfs/dbraw/zinc/89/72/32/378897232.db2.gz NZUAFJPQBANASE-CYBMUJFWSA-N 1 1 281.400 3.201 20 30 CGEDMO C=C(C)CC[N@H+](C)Cc1nc([C@@H](C)OCC(C)C)no1 ZINC000274790889 378897238 /nfs/dbraw/zinc/89/72/38/378897238.db2.gz NZUAFJPQBANASE-CYBMUJFWSA-N 1 1 281.400 3.201 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(COCCOC)cc1 ZINC000348356346 378925212 /nfs/dbraw/zinc/92/52/12/378925212.db2.gz MWYVGAXPDHARPR-GOSISDBHSA-N 1 1 289.419 3.390 20 30 CGEDMO C=CCN(C)C(=O)c1ccc(C[N@H+](CC)CCC)cc1 ZINC000275009454 378925870 /nfs/dbraw/zinc/92/58/70/378925870.db2.gz ISTIUEHLWDMNKM-UHFFFAOYSA-N 1 1 274.408 3.177 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)[C@H](c1nccn1C)C1CC1 ZINC000638917964 378952534 /nfs/dbraw/zinc/95/25/34/378952534.db2.gz KWLBNNFCCZRIRA-INIZCTEOSA-N 1 1 285.391 3.195 20 30 CGEDMO C=CC[N@H+](Cc1ccc(N(C)C(C)C)nc1)C1CC1 ZINC000276704770 378984062 /nfs/dbraw/zinc/98/40/62/378984062.db2.gz BSITXNOSIFLDKM-UHFFFAOYSA-N 1 1 259.397 3.077 20 30 CGEDMO CC[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(C#N)cc1 ZINC000278631535 194077302 /nfs/dbraw/zinc/07/73/02/194077302.db2.gz GYLHVTVMYAEQLM-BZSNNMDCSA-N 1 1 285.435 3.472 20 30 CGEDMO C#CCC[N@@H+](CCc1ccccc1)Cc1cccnc1 ZINC000277166600 379087242 /nfs/dbraw/zinc/08/72/42/379087242.db2.gz XXYUFLMPVUHGMI-UHFFFAOYSA-N 1 1 264.372 3.150 20 30 CGEDMO C=CC[C@@H]1[N@H+](Cc2cnc3cnccn23)CCCC1(C)C ZINC000278736294 194129263 /nfs/dbraw/zinc/12/92/63/194129263.db2.gz QXYLDBIFXJYWFO-HNNXBMFYSA-N 1 1 284.407 3.296 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000278849085 194182241 /nfs/dbraw/zinc/18/22/41/194182241.db2.gz RIZRHXSBUMLJLN-NSHDSACASA-N 1 1 286.272 3.472 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000278849085 194182244 /nfs/dbraw/zinc/18/22/44/194182244.db2.gz RIZRHXSBUMLJLN-NSHDSACASA-N 1 1 286.272 3.472 20 30 CGEDMO C=CCCCCCN1CCC2(CCC[N@@H+]2C)CC1 ZINC000373240191 379248154 /nfs/dbraw/zinc/24/81/54/379248154.db2.gz CFHKLUHUGGAYOK-UHFFFAOYSA-N 1 1 250.430 3.293 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2c3c(nn2C)CCCC3)C1 ZINC000639309461 379258185 /nfs/dbraw/zinc/25/81/85/379258185.db2.gz LSWMGQNWVSWRTH-CQSZACIVSA-N 1 1 273.424 3.087 20 30 CGEDMO CC[C@H]([NH2+][C@H](C)Cc1cc(C)[nH]n1)c1ccc(C#N)cc1 ZINC000278887930 194196536 /nfs/dbraw/zinc/19/65/36/194196536.db2.gz YIWUMKJSTHOVBB-PXAZEXFGSA-N 1 1 282.391 3.262 20 30 CGEDMO N#Cc1cccc(OCC[N@@H+]2CC[C@H](CC(F)(F)F)C2)c1 ZINC000278951870 194226541 /nfs/dbraw/zinc/22/65/41/194226541.db2.gz YVQZWTUPEXECDV-CYBMUJFWSA-N 1 1 298.308 3.211 20 30 CGEDMO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000376672531 379593615 /nfs/dbraw/zinc/59/36/15/379593615.db2.gz NVCUDPBQVMLAQS-WMZOPIPTSA-N 1 1 297.446 3.180 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CC[C@H](c2ccccc2C)C1 ZINC000351563320 379727278 /nfs/dbraw/zinc/72/72/78/379727278.db2.gz NDHMKEUGQJLQDT-JKSUJKDBSA-N 1 1 259.393 3.111 20 30 CGEDMO CCC[N@@H+](CC(=O)Nc1ccccc1C)[C@@H](C)CCC#N ZINC000351621158 379732088 /nfs/dbraw/zinc/73/20/88/379732088.db2.gz SMGUBOCRAZHJNA-HNNXBMFYSA-N 1 1 287.407 3.338 20 30 CGEDMO C=CCC[NH+]1CCCC2(CCC[N@H+](CCC=C)C2)C1 ZINC000351980484 379750369 /nfs/dbraw/zinc/75/03/69/379750369.db2.gz COHGKBANTXXVNQ-UHFFFAOYSA-N 1 1 262.441 3.317 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2cnc(C)nc2)CCCC1(C)C ZINC000352409180 379801605 /nfs/dbraw/zinc/80/16/05/379801605.db2.gz YBLIZFUUKRKRAR-HNNXBMFYSA-N 1 1 259.397 3.352 20 30 CGEDMO C=CCCC(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000281712904 379843992 /nfs/dbraw/zinc/84/39/92/379843992.db2.gz QZUZPRPWPHOXCU-UHFFFAOYSA-N 1 1 266.772 3.306 20 30 CGEDMO CC1(C)C[N@@H+](CCOc2ccc(C#N)cc2)[C@@H]2CCC[C@@H]21 ZINC000378825100 379858057 /nfs/dbraw/zinc/85/80/57/379858057.db2.gz HDPXCMNZOAKWJL-DLBZAZTESA-N 1 1 284.403 3.448 20 30 CGEDMO C[N@@H+](CCc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000399128297 379935111 /nfs/dbraw/zinc/93/51/11/379935111.db2.gz UTJUHTZBNMRNDT-UHFFFAOYSA-N 1 1 264.372 3.427 20 30 CGEDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000399748988 379943165 /nfs/dbraw/zinc/94/31/65/379943165.db2.gz LDEORONRTYXTFJ-DOMZBBRYSA-N 1 1 258.365 3.187 20 30 CGEDMO Cc1cc(C[N@@H+]2CCCCC[C@H]2C[C@@H](C)O)ccc1C#N ZINC000352891966 380022767 /nfs/dbraw/zinc/02/27/67/380022767.db2.gz GRRQJYFPNPZUGW-QAPCUYQASA-N 1 1 286.419 3.382 20 30 CGEDMO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1ccc(C)cc1C ZINC000267908659 190362194 /nfs/dbraw/zinc/36/21/94/190362194.db2.gz YVQITYXOCCVMEW-HNNXBMFYSA-N 1 1 272.392 3.304 20 30 CGEDMO C=CCN1CC[C@@H]([N@@H+](CCC(C)C)C2CCCC2)C1=O ZINC000410335852 380086210 /nfs/dbraw/zinc/08/62/10/380086210.db2.gz APKJFKJQESQPAR-MRXNPFEDSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H]1CC[C@H](C)O1 ZINC000352923684 380039839 /nfs/dbraw/zinc/03/98/39/380039839.db2.gz VXQAYDIZMFYUDU-DOTOQJQBSA-N 1 1 291.439 3.410 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1cccc2c1OCO2 ZINC000352934365 380047923 /nfs/dbraw/zinc/04/79/23/380047923.db2.gz VTYVRPFTSZEHTA-UHFFFAOYSA-N 1 1 285.343 3.239 20 30 CGEDMO CC(C)([NH2+]CCC#N)c1ccc(Br)cc1 ZINC000411342985 380142345 /nfs/dbraw/zinc/14/23/45/380142345.db2.gz TWMARJRLGXSFJG-UHFFFAOYSA-N 1 1 267.170 3.187 20 30 CGEDMO CC[C@H]1CN([C@@H](C)CCC#N)CC[N@H+]1Cc1ccccc1 ZINC000411522362 380149661 /nfs/dbraw/zinc/14/96/61/380149661.db2.gz ALGHUKKJVRDLPH-WMZOPIPTSA-N 1 1 285.435 3.275 20 30 CGEDMO CC[C@H]1C[N@@H+]([C@@H](C)CCC#N)CCN1Cc1ccccc1 ZINC000411522362 380149667 /nfs/dbraw/zinc/14/96/67/380149667.db2.gz ALGHUKKJVRDLPH-WMZOPIPTSA-N 1 1 285.435 3.275 20 30 CGEDMO CC[C@H]1C[N@H+]([C@@H](C)CCC#N)CCN1Cc1ccccc1 ZINC000411522362 380149676 /nfs/dbraw/zinc/14/96/76/380149676.db2.gz ALGHUKKJVRDLPH-WMZOPIPTSA-N 1 1 285.435 3.275 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)NC(CC)CC ZINC000411133298 380129975 /nfs/dbraw/zinc/12/99/75/380129975.db2.gz HKODWLYOHAIFBQ-CYBMUJFWSA-N 1 1 294.464 3.429 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)NC(CC)CC ZINC000411133298 380129980 /nfs/dbraw/zinc/12/99/80/380129980.db2.gz HKODWLYOHAIFBQ-CYBMUJFWSA-N 1 1 294.464 3.429 20 30 CGEDMO C[C@H](CN[C@@H]1CCc2ccc(C#N)cc21)[NH+]1CCC(C)CC1 ZINC000353385944 380204374 /nfs/dbraw/zinc/20/43/74/380204374.db2.gz MZCAOOOPQNLDOJ-DNVCBOLYSA-N 1 1 297.446 3.256 20 30 CGEDMO COc1c(C)cc(C[N@H+](C[C@H](C)C#N)C2CC2)cc1C ZINC000354034506 380289940 /nfs/dbraw/zinc/28/99/40/380289940.db2.gz RKWQBWJDTCDHFN-GFCCVEGCSA-N 1 1 272.392 3.436 20 30 CGEDMO COc1c(C)cc(C[N@@H+](C[C@H](C)C#N)C2CC2)cc1C ZINC000354034506 380289945 /nfs/dbraw/zinc/28/99/45/380289945.db2.gz RKWQBWJDTCDHFN-GFCCVEGCSA-N 1 1 272.392 3.436 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)o1)[C@@H](COC)Cc1ccccc1 ZINC000354062377 380306122 /nfs/dbraw/zinc/30/61/22/380306122.db2.gz ZGIUNEAMFPAJLM-MRXNPFEDSA-N 1 1 298.386 3.231 20 30 CGEDMO CCC[N@@H+](CCCCC#N)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000354205455 380364559 /nfs/dbraw/zinc/36/45/59/380364559.db2.gz IQHVPYBXWZGDFW-KFWWJZLASA-N 1 1 264.413 3.206 20 30 CGEDMO C=CCCC1(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000354559711 380485168 /nfs/dbraw/zinc/48/51/68/380485168.db2.gz BIPBEARJOGFVDC-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO N#Cc1cccc([C@H]2C[N@@H+](C[C@H]3CC=CCC3)CCO2)c1 ZINC000355140345 380595438 /nfs/dbraw/zinc/59/54/38/380595438.db2.gz UAIVHMFRWYJDKY-MAUKXSAKSA-N 1 1 282.387 3.288 20 30 CGEDMO CCC[N@@H+](Cc1cncn1CC)Cc1ccc(C#N)cc1 ZINC000417723767 380671754 /nfs/dbraw/zinc/67/17/54/380671754.db2.gz XURZYEKXNFRAIW-UHFFFAOYSA-N 1 1 282.391 3.187 20 30 CGEDMO C=C(C)[C@@H]([NH2+]Cc1cc(C)nn1C)c1ccc(F)c(F)c1 ZINC000418007151 380689469 /nfs/dbraw/zinc/68/94/69/380689469.db2.gz NAPQCZXVCLIYSQ-MRXNPFEDSA-N 1 1 291.345 3.414 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2cc(C)nn2C)CCCC1(C)C ZINC000418032391 380694238 /nfs/dbraw/zinc/69/42/38/380694238.db2.gz LWUAPIRZYHDAPA-HNNXBMFYSA-N 1 1 261.413 3.295 20 30 CGEDMO COc1ccc(C[N@@H+](CC2CC2)C2CCC2)cc1C#N ZINC000355724412 380759916 /nfs/dbraw/zinc/75/99/16/380759916.db2.gz FJIHQVAKIIOGFV-UHFFFAOYSA-N 1 1 270.376 3.331 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1ncc(-c2ccccc2)o1 ZINC000279180279 194320572 /nfs/dbraw/zinc/32/05/72/194320572.db2.gz CUZIDKGQSSJTOT-UHFFFAOYSA-N 1 1 254.333 3.185 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1ncc(-c2ccccc2)o1 ZINC000279180279 194320575 /nfs/dbraw/zinc/32/05/75/194320575.db2.gz CUZIDKGQSSJTOT-UHFFFAOYSA-N 1 1 254.333 3.185 20 30 CGEDMO C[C@@H]1[C@H](C)C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@H]1C ZINC000419371946 380817289 /nfs/dbraw/zinc/81/72/89/380817289.db2.gz LSROQVLTGXQFNC-UPJWGTAASA-N 1 1 296.374 3.085 20 30 CGEDMO C[C@H](CNCc1ccc(C#N)c(F)c1)[N@H+]1CCCC[C@H]1C ZINC000421323729 380874484 /nfs/dbraw/zinc/87/44/84/380874484.db2.gz HCGZCCCLJXJLBO-ZIAGYGMSSA-N 1 1 289.398 3.050 20 30 CGEDMO C[C@H](C[NH2+]Cc1ccc(C#N)c(F)c1)N1CCCC[C@H]1C ZINC000421323729 380874503 /nfs/dbraw/zinc/87/45/03/380874503.db2.gz HCGZCCCLJXJLBO-ZIAGYGMSSA-N 1 1 289.398 3.050 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)cc1F ZINC000421360032 380895320 /nfs/dbraw/zinc/89/53/20/380895320.db2.gz YJMDNZQNRWPRRA-MRXNPFEDSA-N 1 1 270.351 3.462 20 30 CGEDMO C[C@@H]1CCC[C@H](C)C[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000357730189 381268059 /nfs/dbraw/zinc/26/80/59/381268059.db2.gz ADQUMLOBFRIDOV-UONOGXRCSA-N 1 1 285.391 3.007 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]C/C=C\c1ccc(F)cc1F ZINC000358278347 381300477 /nfs/dbraw/zinc/30/04/77/381300477.db2.gz MHHOXAYXNLGZGC-SCOBNMCVSA-N 1 1 250.292 3.260 20 30 CGEDMO C=CCN(C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000357959767 381286146 /nfs/dbraw/zinc/28/61/46/381286146.db2.gz DGXMHZZRKBEIGD-QGZVFWFLSA-N 1 1 298.430 3.076 20 30 CGEDMO C=CC[N@H+](CC(=C)CC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000358486056 381311215 /nfs/dbraw/zinc/31/12/15/381311215.db2.gz CHKFDBUIDSRGDS-OAHLLOKOSA-N 1 1 297.406 3.178 20 30 CGEDMO COc1ccc(C[N@@H+]2CCCc3occc3C2)cc1C#N ZINC000288944663 197197303 /nfs/dbraw/zinc/19/73/03/197197303.db2.gz XCJOTXHAPOOWCS-UHFFFAOYSA-N 1 1 282.343 3.108 20 30 CGEDMO COc1ccc(C[N@H+]2CCCc3occc3C2)cc1C#N ZINC000288944663 197197304 /nfs/dbraw/zinc/19/73/04/197197304.db2.gz XCJOTXHAPOOWCS-UHFFFAOYSA-N 1 1 282.343 3.108 20 30 CGEDMO C[C@@H]1CCCC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000360614600 381593946 /nfs/dbraw/zinc/59/39/46/381593946.db2.gz UDHIDUTUKCKJAX-CQSZACIVSA-N 1 1 258.365 3.059 20 30 CGEDMO Cc1ccc2c(c1)C[N@@H+](CCOc1ccccc1C#N)C2 ZINC000361592297 381822886 /nfs/dbraw/zinc/82/28/86/381822886.db2.gz BNWJEFVPBMNWHA-UHFFFAOYSA-N 1 1 278.355 3.261 20 30 CGEDMO Cc1ccc2c(c1)C[N@H+](CCOc1ccccc1C#N)C2 ZINC000361592297 381822889 /nfs/dbraw/zinc/82/28/89/381822889.db2.gz BNWJEFVPBMNWHA-UHFFFAOYSA-N 1 1 278.355 3.261 20 30 CGEDMO N#Cc1ccc(NC(=O)C[N@@H+](CC2CC2)CC2CCC2)cc1 ZINC000361558250 381804126 /nfs/dbraw/zinc/80/41/26/381804126.db2.gz VVLWHOHZIKGBFG-UHFFFAOYSA-N 1 1 297.402 3.009 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)cc1C#N ZINC000361575078 381812509 /nfs/dbraw/zinc/81/25/09/381812509.db2.gz ACVBZUFJEZJQCZ-KRWDZBQOSA-N 1 1 293.414 3.351 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C#N)cc1F)[C@@H]1CC[C@@H](C)C1 ZINC000361634261 381847413 /nfs/dbraw/zinc/84/74/13/381847413.db2.gz AFESUAKEXFXPGD-CZUORRHYSA-N 1 1 290.382 3.334 20 30 CGEDMO COCC[N@@H+](Cc1ccccc1C#N)[C@H]1CC[C@@H](C)C1 ZINC000361640600 381851697 /nfs/dbraw/zinc/85/16/97/381851697.db2.gz VDMPDAIIYAFTCY-PBHICJAKSA-N 1 1 272.392 3.195 20 30 CGEDMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2ccc(Cl)c(C#N)n2)C1 ZINC000363449665 382221892 /nfs/dbraw/zinc/22/18/92/382221892.db2.gz MINDEUKHWCYAQC-HNNXBMFYSA-N 1 1 298.777 3.205 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@]3(CCCOC3)C2)c1 ZINC000335263951 208054682 /nfs/dbraw/zinc/05/46/82/208054682.db2.gz XQVQCHBMTBOXQV-QGZVFWFLSA-N 1 1 288.366 3.090 20 30 CGEDMO C[C@H]1C[C@@H](C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)CCO1 ZINC000335329983 208204071 /nfs/dbraw/zinc/20/40/71/208204071.db2.gz SFBMPKPIOZOGBD-RDJZCZTQSA-N 1 1 296.414 3.462 20 30 CGEDMO CO[C@H](C)C[N@@H+](Cc1ccc(Cl)cc1C#N)C(C)C ZINC000359847467 533083241 /nfs/dbraw/zinc/08/32/41/533083241.db2.gz BDLYNPFGFCNUPA-GFCCVEGCSA-N 1 1 280.799 3.457 20 30 CGEDMO N#Cc1ccc(C[NH+]2CCC(Oc3ccccn3)CC2)s1 ZINC000350616780 219037563 /nfs/dbraw/zinc/03/75/63/219037563.db2.gz WFNSTHRBMHELLV-UHFFFAOYSA-N 1 1 299.399 3.058 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCc3occc3C2)cc1 ZINC000288965603 197202724 /nfs/dbraw/zinc/20/27/24/197202724.db2.gz YMCCZGFCBMZVFS-UHFFFAOYSA-N 1 1 252.317 3.100 20 30 CGEDMO COCC1(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)CCC1 ZINC000425535573 533130367 /nfs/dbraw/zinc/13/03/67/533130367.db2.gz NLFIPTMMVCAICF-AWEZNQCLSA-N 1 1 272.392 3.368 20 30 CGEDMO CC(C)C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000307767964 542422475 /nfs/dbraw/zinc/42/24/75/542422475.db2.gz AOAANUFJJQZKBI-MRXNPFEDSA-N 1 1 299.418 3.255 20 30 CGEDMO C=CCC[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309917173 542427236 /nfs/dbraw/zinc/42/72/36/542427236.db2.gz OXBNTAWMLQQAHP-WBVHZDCISA-N 1 1 258.409 3.063 20 30 CGEDMO CC[C@H]1C[N@H+]([C@H](C)c2cccc(C#N)c2)CCCO1 ZINC000281455665 195247223 /nfs/dbraw/zinc/24/72/23/195247223.db2.gz QVLWVKFIYFCBER-CJNGLKHVSA-N 1 1 258.365 3.120 20 30 CGEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)c1cc(C)[nH+]c(C)n1 ZINC000343372094 542499757 /nfs/dbraw/zinc/49/97/57/542499757.db2.gz XNJXSWQLINRQFD-UHFFFAOYSA-N 1 1 299.422 3.454 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](SC)[C@H](N2CCCC2)C1 ZINC000488318161 262311488 /nfs/dbraw/zinc/31/14/88/262311488.db2.gz UURBVQSDAULYAK-HZPDHXFCSA-N 1 1 282.497 3.244 20 30 CGEDMO C=CCCCCCN1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1 ZINC000488318161 262311490 /nfs/dbraw/zinc/31/14/90/262311490.db2.gz UURBVQSDAULYAK-HZPDHXFCSA-N 1 1 282.497 3.244 20 30 CGEDMO CO[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356051623 533232443 /nfs/dbraw/zinc/23/24/43/533232443.db2.gz GKYSOTVMTJPEMZ-ZDUSSCGKSA-N 1 1 298.308 3.188 20 30 CGEDMO CO[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356051623 533232445 /nfs/dbraw/zinc/23/24/45/533232445.db2.gz GKYSOTVMTJPEMZ-ZDUSSCGKSA-N 1 1 298.308 3.188 20 30 CGEDMO CC[C@]1(CO)CCC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000190039953 130052991 /nfs/dbraw/zinc/05/29/91/130052991.db2.gz YXUPQMNBNQFUEL-YOEHRIQHSA-N 1 1 272.392 3.104 20 30 CGEDMO C[C@H](c1ccccc1F)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191222460 130204782 /nfs/dbraw/zinc/20/47/82/130204782.db2.gz OBHYKSRJUPYVHT-GFCCVEGCSA-N 1 1 271.339 3.229 20 30 CGEDMO C[C@H](c1ccccc1F)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191222460 130204783 /nfs/dbraw/zinc/20/47/83/130204783.db2.gz OBHYKSRJUPYVHT-GFCCVEGCSA-N 1 1 271.339 3.229 20 30 CGEDMO CC[N@@H+](Cc1cc(C#N)n(C)c1)[C@@H](C)c1cccc(O)c1 ZINC000191253600 130209768 /nfs/dbraw/zinc/20/97/68/130209768.db2.gz HCAOOGOBKOWPHT-ZDUSSCGKSA-N 1 1 283.375 3.185 20 30 CGEDMO Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cc(C#N)n(C)c2)s1 ZINC000191345043 130224047 /nfs/dbraw/zinc/22/40/47/130224047.db2.gz NJECSXGAAYOZMO-LLVKDONJSA-N 1 1 288.420 3.163 20 30 CGEDMO Cn1cc(C[N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)cc1C#N ZINC000191369370 130227706 /nfs/dbraw/zinc/22/77/06/130227706.db2.gz JRNNYGLAMBBWPO-OAHLLOKOSA-N 1 1 297.377 3.100 20 30 CGEDMO CC(C)C[C@@H](CN[C@@H](C)c1ccc(C#N)cc1)[NH+](C)C ZINC000020201325 391939614 /nfs/dbraw/zinc/93/96/14/391939614.db2.gz MHTLNPSVAALXPP-YOEHRIQHSA-N 1 1 273.424 3.185 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1ccc(C)cc1C ZINC000048617397 392005094 /nfs/dbraw/zinc/00/50/94/392005094.db2.gz QIYWNVQCISBHSL-UHFFFAOYSA-N 1 1 260.381 3.140 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1ccc(C)cc1C ZINC000048617397 392005098 /nfs/dbraw/zinc/00/50/98/392005098.db2.gz QIYWNVQCISBHSL-UHFFFAOYSA-N 1 1 260.381 3.140 20 30 CGEDMO C=CCNC(=O)C[N@H+](CC)[C@H](C)c1cc2ccccc2o1 ZINC000064349128 392141230 /nfs/dbraw/zinc/14/12/30/392141230.db2.gz YDNHLAXSLRYOLS-CYBMUJFWSA-N 1 1 286.375 3.118 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000068829873 392168614 /nfs/dbraw/zinc/16/86/14/392168614.db2.gz PKSDTWUXBCTGHM-CQSZACIVSA-N 1 1 285.391 3.009 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cc(OC)ccc1OCOC ZINC000093533646 392239486 /nfs/dbraw/zinc/23/94/86/392239486.db2.gz URHFJJCZNSBOSV-UHFFFAOYSA-N 1 1 279.380 3.076 20 30 CGEDMO C=CC[N@@H+](CCc1cscn1)CCc1ccccc1 ZINC000284326699 392312604 /nfs/dbraw/zinc/31/26/04/392312604.db2.gz QCNRTCPOGHLHEU-UHFFFAOYSA-N 1 1 272.417 3.416 20 30 CGEDMO C=C(Cl)CN1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282170012 392283100 /nfs/dbraw/zinc/28/31/00/392283100.db2.gz UZIZZBBURQQPAU-CYBMUJFWSA-N 1 1 279.815 3.151 20 30 CGEDMO C=CCC[C@H]([NH2+]Cc1cccnc1OC)c1ccco1 ZINC000285530728 392325419 /nfs/dbraw/zinc/32/54/19/392325419.db2.gz FMNYSSYDLOKIJB-AWEZNQCLSA-N 1 1 272.348 3.480 20 30 CGEDMO C=CC[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000121196997 392410988 /nfs/dbraw/zinc/41/09/88/392410988.db2.gz BMTSTAFNZYHTDP-INIZCTEOSA-N 1 1 299.418 3.056 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000121196997 392410993 /nfs/dbraw/zinc/41/09/93/392410993.db2.gz BMTSTAFNZYHTDP-INIZCTEOSA-N 1 1 299.418 3.056 20 30 CGEDMO C=CCOc1cccc(CN(C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000122760926 392422751 /nfs/dbraw/zinc/42/27/51/392422751.db2.gz CQHLYUBQBPDUMW-QGZVFWFLSA-N 1 1 288.435 3.025 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@](C)(OC)CC2)cc1 ZINC000289815964 392432698 /nfs/dbraw/zinc/43/26/98/392432698.db2.gz TUTMRYFAARIBNR-QGZVFWFLSA-N 1 1 257.377 3.059 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)CCCc2nccn2CCC)cc1 ZINC000290530849 392449117 /nfs/dbraw/zinc/44/91/17/392449117.db2.gz QPZDYHKQDWUJTJ-UHFFFAOYSA-N 1 1 295.430 3.339 20 30 CGEDMO C[C@@H](c1cccnc1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367058089 392463867 /nfs/dbraw/zinc/46/38/67/392463867.db2.gz PUDNDGOGVRMBAH-HNNXBMFYSA-N 1 1 292.386 3.095 20 30 CGEDMO CC#CCC[N@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000156003992 392544621 /nfs/dbraw/zinc/54/46/21/392544621.db2.gz NODCTEGTFXDGDE-QGZVFWFLSA-N 1 1 283.371 3.229 20 30 CGEDMO CC#CCC[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000156071958 392545051 /nfs/dbraw/zinc/54/50/51/392545051.db2.gz VZLYGTZWJZUMRG-CVEARBPZSA-N 1 1 275.392 3.361 20 30 CGEDMO C[N@@H+](CCCC(C)(C)C#N)Cc1ccc([S@@](C)=O)cc1 ZINC000178409378 392678575 /nfs/dbraw/zinc/67/85/75/392678575.db2.gz WFAHVEXIHMFQKC-HXUWFJFHSA-N 1 1 292.448 3.186 20 30 CGEDMO N#CCSCCC[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000174137087 392636868 /nfs/dbraw/zinc/63/68/68/392636868.db2.gz GJMAKQLWCWDMIR-UHFFFAOYSA-N 1 1 285.416 3.173 20 30 CGEDMO Cn1cccc1[C@H]1CCCC[N@H+]1CCCSCC#N ZINC000175138089 392649839 /nfs/dbraw/zinc/64/98/39/392649839.db2.gz WJQZXGVQPHKSMY-OAHLLOKOSA-N 1 1 277.437 3.199 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](O)COc1ccccc1C(C)C ZINC000181245059 392724256 /nfs/dbraw/zinc/72/42/56/392724256.db2.gz SYPGJVVXKBYJOD-OAHLLOKOSA-N 1 1 277.408 3.058 20 30 CGEDMO Cc1oc2ccccc2c1C[NH2+]Cc1ccc(C#N)o1 ZINC000183911860 392760630 /nfs/dbraw/zinc/76/06/30/392760630.db2.gz MBHMJBSKFDBYFI-UHFFFAOYSA-N 1 1 266.300 3.496 20 30 CGEDMO CC1(C#N)CC[NH+](Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000334259187 392714817 /nfs/dbraw/zinc/71/48/17/392714817.db2.gz QAKMAHXDFQWJBC-UHFFFAOYSA-N 1 1 280.375 3.202 20 30 CGEDMO Cc1cc(C#N)ccc1C[NH2+]C(C)(C)c1nccs1 ZINC000186294751 392782356 /nfs/dbraw/zinc/78/23/56/392782356.db2.gz UBFWURONLXLLKK-UHFFFAOYSA-N 1 1 271.389 3.348 20 30 CGEDMO CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C#N)o1)CCO2 ZINC000187548277 392789298 /nfs/dbraw/zinc/78/92/98/392789298.db2.gz YNQKIRAHYNJMSE-INIZCTEOSA-N 1 1 298.342 3.163 20 30 CGEDMO N#CCC[N@@H+](CC1CC1)C[C@@H]1CCCC(F)(F)C1 ZINC000338310470 392909111 /nfs/dbraw/zinc/90/91/11/392909111.db2.gz XSKTZCZFCHSRCN-CYBMUJFWSA-N 1 1 256.340 3.438 20 30 CGEDMO C=CC(C)(C)C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000648198983 392931842 /nfs/dbraw/zinc/93/18/42/392931842.db2.gz QGUSZWUDJISNJY-UHFFFAOYSA-N 1 1 283.375 3.009 20 30 CGEDMO C=CCOCC[N@@H+](Cc1cccc(F)c1)C(C)C ZINC000338924021 392935502 /nfs/dbraw/zinc/93/55/02/392935502.db2.gz FUACZWPOUXCYDF-UHFFFAOYSA-N 1 1 251.345 3.239 20 30 CGEDMO N#CCCOCC[N@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000339081303 392944981 /nfs/dbraw/zinc/94/49/81/392944981.db2.gz NVOCLODYZOKZPN-DOOKAGJSSA-N 1 1 270.376 3.094 20 30 CGEDMO C[C@H]1CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459331981 392941611 /nfs/dbraw/zinc/94/16/11/392941611.db2.gz VDYHRYLIBNNJBB-LBPRGKRZSA-N 1 1 273.336 3.088 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459331981 392941615 /nfs/dbraw/zinc/94/16/15/392941615.db2.gz VDYHRYLIBNNJBB-LBPRGKRZSA-N 1 1 273.336 3.088 20 30 CGEDMO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CCOCCC#N ZINC000339062228 392942995 /nfs/dbraw/zinc/94/29/95/392942995.db2.gz ZZSSSURMCBETLX-STQMWFEESA-N 1 1 276.355 3.064 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@]3(C2)OCc2ccccc23)C1 ZINC000339090984 392947501 /nfs/dbraw/zinc/94/75/01/392947501.db2.gz KVLORSVQGFZGIR-KYJSFNMBSA-N 1 1 282.387 3.200 20 30 CGEDMO C=CCOCC[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000339127400 392949061 /nfs/dbraw/zinc/94/90/61/392949061.db2.gz SCRVUSVVPKJZEC-UHFFFAOYSA-N 1 1 257.736 3.114 20 30 CGEDMO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000339078521 392945879 /nfs/dbraw/zinc/94/58/79/392945879.db2.gz DAJBXPMWTXSQOB-DSLXNQLJSA-N 1 1 297.446 3.179 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000411740528 392986277 /nfs/dbraw/zinc/98/62/77/392986277.db2.gz CCIUJJFZDHKOLR-NEWSRXKRSA-N 1 1 297.446 3.133 20 30 CGEDMO C[C@H](CCC#N)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000411740528 392986284 /nfs/dbraw/zinc/98/62/84/392986284.db2.gz CCIUJJFZDHKOLR-NEWSRXKRSA-N 1 1 297.446 3.133 20 30 CGEDMO C[C@H](CCC#N)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000411740528 392986291 /nfs/dbraw/zinc/98/62/91/392986291.db2.gz CCIUJJFZDHKOLR-NEWSRXKRSA-N 1 1 297.446 3.133 20 30 CGEDMO C[C@H](CCC#N)[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000411740528 392986299 /nfs/dbraw/zinc/98/62/99/392986299.db2.gz CCIUJJFZDHKOLR-NEWSRXKRSA-N 1 1 297.446 3.133 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000411740528 392986306 /nfs/dbraw/zinc/98/63/06/392986306.db2.gz CCIUJJFZDHKOLR-NEWSRXKRSA-N 1 1 297.446 3.133 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000411743112 392986527 /nfs/dbraw/zinc/98/65/27/392986527.db2.gz FPHXRJZSPWNIDA-RHSMWYFYSA-N 1 1 270.376 3.148 20 30 CGEDMO N#Cc1ccc(OCC[N@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000530963075 392987767 /nfs/dbraw/zinc/98/77/67/392987767.db2.gz DBLMQZRJNYWENH-GOSISDBHSA-N 1 1 293.370 3.169 20 30 CGEDMO C=CC[N@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000217166262 392994853 /nfs/dbraw/zinc/99/48/53/392994853.db2.gz ULVBCWKIQZLPJP-LBPRGKRZSA-N 1 1 266.182 3.424 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000217166262 392994859 /nfs/dbraw/zinc/99/48/59/392994859.db2.gz ULVBCWKIQZLPJP-LBPRGKRZSA-N 1 1 266.182 3.424 20 30 CGEDMO COc1ccc(C[N@@H+](C)CCCCC#N)cc1Cl ZINC000412039951 392995318 /nfs/dbraw/zinc/99/53/18/392995318.db2.gz LBSSPMZIJUCFHD-UHFFFAOYSA-N 1 1 266.772 3.474 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCc2ccc(O)cc2C1 ZINC000533394409 392996743 /nfs/dbraw/zinc/99/67/43/392996743.db2.gz ONPVDQMAWFLGEQ-CYBMUJFWSA-N 1 1 278.355 3.383 20 30 CGEDMO COc1cccc(C[C@H]2CCC[N@H+]2Cc2ccc(C#N)o2)c1 ZINC000534344441 392998064 /nfs/dbraw/zinc/99/80/64/392998064.db2.gz KXTOFUXVFURVOB-OAHLLOKOSA-N 1 1 296.370 3.367 20 30 CGEDMO CCN(CC1(C#N)CC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000343319304 393025969 /nfs/dbraw/zinc/02/59/69/393025969.db2.gz ZLIAVBVVVGMVKY-SJLPKXTDSA-N 1 1 297.446 3.448 20 30 CGEDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1cn2ccccc2c1C#N ZINC000466915333 393068715 /nfs/dbraw/zinc/06/87/15/393068715.db2.gz JFIWEKVHIPXHIB-DZGCQCFKSA-N 1 1 267.376 3.431 20 30 CGEDMO C=CCOc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2CCC)c1 ZINC000349147882 393139734 /nfs/dbraw/zinc/13/97/34/393139734.db2.gz ZFNAIRXBNAMLLG-INIZCTEOSA-N 1 1 288.391 3.064 20 30 CGEDMO CC(C)[C@@H](CN[C@H]1CCc2ccc(C#N)cc21)[NH+]1CCCC1 ZINC000353411162 393220927 /nfs/dbraw/zinc/22/09/27/393220927.db2.gz JVVSPJGWKNWGES-RBUKOAKNSA-N 1 1 297.446 3.256 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)c1 ZINC000355230915 393271085 /nfs/dbraw/zinc/27/10/85/393271085.db2.gz ZNYFHRLNQOHIRJ-KDOFPFPSSA-N 1 1 287.403 3.251 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000649251957 393386194 /nfs/dbraw/zinc/38/61/94/393386194.db2.gz LQHKTGTYJMZCCQ-OAHLLOKOSA-N 1 1 259.397 3.321 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000649323471 393401252 /nfs/dbraw/zinc/40/12/52/393401252.db2.gz QMJCULFMHSZVFQ-UAGQMJEPSA-N 1 1 259.393 3.049 20 30 CGEDMO Cc1cccc2c1C[N@@H+](CCOc1ccccc1C#N)CC2 ZINC000429565518 393482245 /nfs/dbraw/zinc/48/22/45/393482245.db2.gz HYPPTJUVSAJTOF-UHFFFAOYSA-N 1 1 292.382 3.304 20 30 CGEDMO CCCCC[N@H+](CC#Cc1ccc(Cl)cc1)CCO ZINC000427018814 393453945 /nfs/dbraw/zinc/45/39/45/393453945.db2.gz DBEBIBFHTQLRMA-UHFFFAOYSA-N 1 1 279.811 3.176 20 30 CGEDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(C#N)c(C)c2)[C@H](C)C1 ZINC000488119314 393460834 /nfs/dbraw/zinc/46/08/34/393460834.db2.gz SMBYJYUHGYVYNY-CRAIPNDOSA-N 1 1 285.435 3.029 20 30 CGEDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)c(C)c2)[C@H](C)C1 ZINC000488119314 393460840 /nfs/dbraw/zinc/46/08/40/393460840.db2.gz SMBYJYUHGYVYNY-CRAIPNDOSA-N 1 1 285.435 3.029 20 30 CGEDMO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(C#N)c(C)c2)[C@H](C)C1 ZINC000488119314 393460844 /nfs/dbraw/zinc/46/08/44/393460844.db2.gz SMBYJYUHGYVYNY-CRAIPNDOSA-N 1 1 285.435 3.029 20 30 CGEDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C#N)c(C)c2)[C@H](C)C1 ZINC000488119314 393460850 /nfs/dbraw/zinc/46/08/50/393460850.db2.gz SMBYJYUHGYVYNY-CRAIPNDOSA-N 1 1 285.435 3.029 20 30 CGEDMO Cc1cnc([C@H](C)[NH2+]Cc2ccc(C#N)c(C)c2)s1 ZINC000488262949 393476521 /nfs/dbraw/zinc/47/65/21/393476521.db2.gz GPYZDGXXNVDHOB-LBPRGKRZSA-N 1 1 271.389 3.482 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1nc2ccccc2n1C ZINC000649385703 393409378 /nfs/dbraw/zinc/40/93/78/393409378.db2.gz IHCAPYZXBTYPGY-UHFFFAOYSA-N 1 1 257.381 3.361 20 30 CGEDMO C[C@H]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2C#N)C1 ZINC000429568681 393484812 /nfs/dbraw/zinc/48/48/12/393484812.db2.gz OVEXUNDZUHXOER-ZFWWWQNUSA-N 1 1 285.391 3.007 20 30 CGEDMO CC1=C[C@H](C)C[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000430266308 393552644 /nfs/dbraw/zinc/55/26/44/393552644.db2.gz XNGPPIHOZZSEKY-ZDUSSCGKSA-N 1 1 265.360 3.209 20 30 CGEDMO Cc1cc(C[N@H+]2CCS[C@H](C)CC2)ccc1C#N ZINC000489032478 393572499 /nfs/dbraw/zinc/57/24/99/393572499.db2.gz ARTCGEKRWMGJEH-CYBMUJFWSA-N 1 1 260.406 3.194 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000489477561 393599273 /nfs/dbraw/zinc/59/92/73/393599273.db2.gz PASJJUPMAYHOQD-OAHLLOKOSA-N 1 1 265.360 3.351 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000489477561 393599274 /nfs/dbraw/zinc/59/92/74/393599274.db2.gz PASJJUPMAYHOQD-OAHLLOKOSA-N 1 1 265.360 3.351 20 30 CGEDMO C[C@H]1CCC[C@H](C)N1CC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421326388 393605256 /nfs/dbraw/zinc/60/52/56/393605256.db2.gz NWGUMKWXHZWDKP-KBPBESRZSA-N 1 1 289.398 3.050 20 30 CGEDMO COc1ccc(F)cc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000360964843 393626325 /nfs/dbraw/zinc/62/63/25/393626325.db2.gz YJVAMJHRCSBBDU-UHFFFAOYSA-N 1 1 288.297 3.135 20 30 CGEDMO Cc1nsc(NC[C@@H]2CCC[N@H+](CC(C)C)C2)c1C#N ZINC000361044573 393653663 /nfs/dbraw/zinc/65/36/63/393653663.db2.gz TZOOYEYXMBATCX-ZDUSSCGKSA-N 1 1 292.452 3.103 20 30 CGEDMO CC[C@H]1CCCC[N@H+]1CCNCc1ccc(C#N)c(C)c1 ZINC000444005433 393782904 /nfs/dbraw/zinc/78/29/04/393782904.db2.gz QURLBCIPDIOHPU-SFHVURJKSA-N 1 1 285.435 3.221 20 30 CGEDMO CC[C@H]1CCCCN1CC[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000444005433 393782906 /nfs/dbraw/zinc/78/29/06/393782906.db2.gz QURLBCIPDIOHPU-SFHVURJKSA-N 1 1 285.435 3.221 20 30 CGEDMO C=CCCCCC[N@@H+]1CCN(C2CC2)C[C@@H](C)C1 ZINC000451095744 394041630 /nfs/dbraw/zinc/04/16/30/394041630.db2.gz UREFBGNGVUALIO-HNNXBMFYSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CC[N@@H+](CCOC)Cc1cccc(OC2CC2)c1F ZINC000668055178 542963679 /nfs/dbraw/zinc/96/36/79/542963679.db2.gz VDRFQESBJLQCLZ-UHFFFAOYSA-N 1 1 279.355 3.001 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cccc(OC2CC2)c1F ZINC000668055178 542963684 /nfs/dbraw/zinc/96/36/84/542963684.db2.gz VDRFQESBJLQCLZ-UHFFFAOYSA-N 1 1 279.355 3.001 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccncc2)C1 ZINC000668493733 543020330 /nfs/dbraw/zinc/02/03/30/543020330.db2.gz RCFUICIPFXBJBJ-HNNXBMFYSA-N 1 1 296.418 3.270 20 30 CGEDMO CCOC1CC([N@@H+](C)CC#Cc2cccc(Cl)c2)C1 ZINC000672573822 543217387 /nfs/dbraw/zinc/21/73/87/543217387.db2.gz GBCRMGDCRIYVND-UHFFFAOYSA-N 1 1 277.795 3.191 20 30 CGEDMO Clc1ccc(C#CC[N@H+]2CCC[C@H](n3ccnc3)C2)cc1 ZINC000674249593 543276649 /nfs/dbraw/zinc/27/66/49/543276649.db2.gz BNPGSIOAAUXAJC-KRWDZBQOSA-N 1 1 299.805 3.225 20 30 CGEDMO C[N@H+](CCc1ccc(Br)cc1)CC1(C#N)CC1 ZINC000258848989 397669768 /nfs/dbraw/zinc/66/97/68/397669768.db2.gz FTOOXFVKAXSSLN-UHFFFAOYSA-N 1 1 293.208 3.227 20 30 CGEDMO C[N@@H+](CCc1ccc(Br)cc1)CC1(C#N)CC1 ZINC000258848989 397669770 /nfs/dbraw/zinc/66/97/70/397669770.db2.gz FTOOXFVKAXSSLN-UHFFFAOYSA-N 1 1 293.208 3.227 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](Oc2ccccc2OC)C1 ZINC000286273593 397671508 /nfs/dbraw/zinc/67/15/08/397671508.db2.gz BXBCBMPVCNUNRQ-CQSZACIVSA-N 1 1 261.365 3.115 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000338565720 397683854 /nfs/dbraw/zinc/68/38/54/397683854.db2.gz CWNPZKXDGVQJDR-AWEZNQCLSA-N 1 1 268.364 3.185 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000338565720 397683857 /nfs/dbraw/zinc/68/38/57/397683857.db2.gz CWNPZKXDGVQJDR-AWEZNQCLSA-N 1 1 268.364 3.185 20 30 CGEDMO C=CCN1CCC([NH2+][C@@H](C)c2nc(C)sc2C)CC1 ZINC000676490256 543399892 /nfs/dbraw/zinc/39/98/92/543399892.db2.gz PBRYLUJQUWCAKU-NSHDSACASA-N 1 1 279.453 3.061 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCC[C@@H](C3CC3)C2)cc1 ZINC000677057015 543428583 /nfs/dbraw/zinc/42/85/83/543428583.db2.gz XHSBXIQSPWSCMR-MRXNPFEDSA-N 1 1 257.352 3.299 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](CC)C[C@@H]2CCOC2)cc1 ZINC000678151608 543488466 /nfs/dbraw/zinc/48/84/66/543488466.db2.gz PZHLRPQVOFARHS-INIZCTEOSA-N 1 1 275.392 3.110 20 30 CGEDMO C[C@@H](c1ccco1)[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000069067356 165049922 /nfs/dbraw/zinc/04/99/22/165049922.db2.gz GBKAEONKMAJUST-ZDUSSCGKSA-N 1 1 297.358 3.173 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CCS1 ZINC000076064429 165111687 /nfs/dbraw/zinc/11/16/87/165111687.db2.gz NKJAHSTZEJRJMT-HNNXBMFYSA-N 1 1 260.406 3.132 20 30 CGEDMO CC(C)CCO[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000083250241 165173828 /nfs/dbraw/zinc/17/38/28/165173828.db2.gz JEGMWHRYVSADSJ-QGZVFWFLSA-N 1 1 272.392 3.195 20 30 CGEDMO COc1ccc(C[N@H+]2CCCC(C)(C)C2)cc1C#N ZINC000087833430 165190234 /nfs/dbraw/zinc/19/02/34/165190234.db2.gz OOXGSMKSTCIECF-UHFFFAOYSA-N 1 1 258.365 3.189 20 30 CGEDMO CC[C@H](CSC)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000091099556 165257715 /nfs/dbraw/zinc/25/77/15/165257715.db2.gz XSXYKRWXYJQMJT-CYBMUJFWSA-N 1 1 266.385 3.271 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)o1)[C@H](C)c1cccc(O)c1 ZINC000091975004 165280626 /nfs/dbraw/zinc/28/06/26/165280626.db2.gz JXZRYEJCMBUZMS-GFCCVEGCSA-N 1 1 270.332 3.440 20 30 CGEDMO CCSCC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000093870934 165339835 /nfs/dbraw/zinc/33/98/35/165339835.db2.gz ZRWDAUAXRMIBHP-LLVKDONJSA-N 1 1 252.383 3.115 20 30 CGEDMO CC1(C)CC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000094802908 165354712 /nfs/dbraw/zinc/35/47/12/165354712.db2.gz YSVKATORZAXEII-UHFFFAOYSA-N 1 1 258.365 3.059 20 30 CGEDMO C[C@]12CC[N@H+](Cc3ccc(C#N)o3)C[C@H]1C2(Cl)Cl ZINC000284485329 196066945 /nfs/dbraw/zinc/06/69/45/196066945.db2.gz WQFKCGOQOLILMH-NEPJUHHUSA-N 1 1 285.174 3.167 20 30 CGEDMO C[C@]12CC[N@@H+](Cc3ccc(C#N)o3)C[C@H]1C2(Cl)Cl ZINC000284485329 196066946 /nfs/dbraw/zinc/06/69/46/196066946.db2.gz WQFKCGOQOLILMH-NEPJUHHUSA-N 1 1 285.174 3.167 20 30 CGEDMO CCC(CC)[C@H](CNCc1cccc(C#N)c1)[NH+](C)C ZINC000020201996 171066321 /nfs/dbraw/zinc/06/63/21/171066321.db2.gz MCUYQYIJDLIFQL-KRWDZBQOSA-N 1 1 273.424 3.014 20 30 CGEDMO C[C@@H]1CCCC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000335305148 287255554 /nfs/dbraw/zinc/25/55/54/287255554.db2.gz WMTVFUMSXPCHBE-IUODEOHRSA-N 1 1 271.364 3.257 20 30 CGEDMO Cc1nc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)cs1 ZINC000035256403 172087113 /nfs/dbraw/zinc/08/71/13/172087113.db2.gz YPLYQCLDAYZCTC-JTQLQIEISA-N 1 1 257.362 3.174 20 30 CGEDMO CC[C@@H](C)C[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC000037173150 173006774 /nfs/dbraw/zinc/00/67/74/173006774.db2.gz QFIBREQRJFEXTI-CQSZACIVSA-N 1 1 260.381 3.305 20 30 CGEDMO C[C@H]1C[C@H](Nc2ccc(C(F)(F)F)cc2C#N)CC[N@H+]1C ZINC000127657554 287292970 /nfs/dbraw/zinc/29/29/70/287292970.db2.gz AAHSWOPVNUYDSM-GXFFZTMASA-N 1 1 297.324 3.472 20 30 CGEDMO C[C@@H](CNc1cccc(F)c1C#N)[N@H+]1CCC[C@@H](C)C1 ZINC000071954249 176304679 /nfs/dbraw/zinc/30/46/79/176304679.db2.gz NPHIRKILUGDKNF-OLZOCXBDSA-N 1 1 275.371 3.230 20 30 CGEDMO C[N@@H+](Cc1ccc(OCC#N)cc1)C1CCCCC1 ZINC000077012554 177147670 /nfs/dbraw/zinc/14/76/70/177147670.db2.gz OCTQMNAQVZWKBK-UHFFFAOYSA-N 1 1 258.365 3.353 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1c(C)cc(C)cc1C ZINC000078282538 177330061 /nfs/dbraw/zinc/33/00/61/177330061.db2.gz ODIGGPIVOHYXQH-UHFFFAOYSA-N 1 1 274.408 3.448 20 30 CGEDMO C=C(C)CN1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000048059542 416445392 /nfs/dbraw/zinc/44/53/92/416445392.db2.gz DXKCAYUKRYZDBB-UHFFFAOYSA-N 1 1 258.409 3.079 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(Cc2ccccc2C)CC1 ZINC000048059542 416445394 /nfs/dbraw/zinc/44/53/94/416445394.db2.gz DXKCAYUKRYZDBB-UHFFFAOYSA-N 1 1 258.409 3.079 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(Cc2ccccc2C)CC1 ZINC000048059542 416445396 /nfs/dbraw/zinc/44/53/96/416445396.db2.gz DXKCAYUKRYZDBB-UHFFFAOYSA-N 1 1 258.409 3.079 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CCc2ccc(C(C)(C)C)cc2C1 ZINC000679674854 543655525 /nfs/dbraw/zinc/65/55/25/543655525.db2.gz USFWAHVBHOQQCC-KRWDZBQOSA-N 1 1 273.420 3.279 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000681400167 543786163 /nfs/dbraw/zinc/78/61/63/543786163.db2.gz LIYBCNWATCAUJF-IYBDPMFKSA-N 1 1 256.393 3.021 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(Cc2ccccc2C)CC1 ZINC000681399078 543786601 /nfs/dbraw/zinc/78/66/01/543786601.db2.gz XRIVWOIVZZQVAS-UHFFFAOYSA-N 1 1 272.436 3.469 20 30 CGEDMO C=C(C)CCN1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000681399078 543786604 /nfs/dbraw/zinc/78/66/04/543786604.db2.gz XRIVWOIVZZQVAS-UHFFFAOYSA-N 1 1 272.436 3.469 20 30 CGEDMO C=C(C)CCN1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000681399078 543786606 /nfs/dbraw/zinc/78/66/06/543786606.db2.gz XRIVWOIVZZQVAS-UHFFFAOYSA-N 1 1 272.436 3.469 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+](CC)C[C@H](CC)c1ccccc1 ZINC000681482031 543789782 /nfs/dbraw/zinc/78/97/82/543789782.db2.gz ZESPSJULCYLOCY-RDJZCZTQSA-N 1 1 261.409 3.439 20 30 CGEDMO CC(=O)Nc1ccccc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000130783709 287362956 /nfs/dbraw/zinc/36/29/56/287362956.db2.gz KTCBDNSJNGRNGX-UHFFFAOYSA-N 1 1 293.370 3.149 20 30 CGEDMO C=CC[NH+]1CCC(Nc2cc[nH+]c3c([O-])cccc23)CC1 ZINC000682663983 543857727 /nfs/dbraw/zinc/85/77/27/543857727.db2.gz WRZFEQWRTIAABF-UHFFFAOYSA-N 1 1 283.375 3.003 20 30 CGEDMO COCC#CC[N@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000683044345 543892425 /nfs/dbraw/zinc/89/24/25/543892425.db2.gz SNYQHRYLOPXARI-UHFFFAOYSA-N 1 1 285.309 3.091 20 30 CGEDMO COCC#CC[N@@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000683044345 543892428 /nfs/dbraw/zinc/89/24/28/543892428.db2.gz SNYQHRYLOPXARI-UHFFFAOYSA-N 1 1 285.309 3.091 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nn(C)c2ccccc12 ZINC000683844691 543948254 /nfs/dbraw/zinc/94/82/54/543948254.db2.gz ZDBFYMVFMLXNNJ-CYBMUJFWSA-N 1 1 255.365 3.114 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)C[C@H](O)C2CC2)cc1Cl ZINC000685460663 544075121 /nfs/dbraw/zinc/07/51/21/544075121.db2.gz CNTBVTWSKPGZJL-HNNXBMFYSA-N 1 1 295.810 3.108 20 30 CGEDMO C=CCC[C@@H](NCC[C@@H]([NH3+])C(C)C)c1ccco1 ZINC000665281636 419103657 /nfs/dbraw/zinc/10/36/57/419103657.db2.gz IKNUPORBJOTQHN-ZIAGYGMSSA-N 1 1 250.386 3.250 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@H](c2ccccc2)C2CCC2)nn1 ZINC000653578349 419052756 /nfs/dbraw/zinc/05/27/56/419052756.db2.gz GKIAPHMFIJHSCJ-GOSISDBHSA-N 1 1 296.418 3.485 20 30 CGEDMO C=CCOc1ccccc1C[NH2+][C@H]1CCCn2ccnc21 ZINC000655710458 419072551 /nfs/dbraw/zinc/07/25/51/419072551.db2.gz BKNCOYFYICECML-HNNXBMFYSA-N 1 1 283.375 3.073 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000660430943 419143614 /nfs/dbraw/zinc/14/36/14/419143614.db2.gz XMGKRPIBRFGNBI-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(CC)Cn1cc(C[NH2+][C@H]2CCc3ccccc32)nn1 ZINC000656452152 419171866 /nfs/dbraw/zinc/17/18/66/419171866.db2.gz AMBWGXGLZZEPIG-KRWDZBQOSA-N 1 1 282.391 3.021 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@H](C)C(=O)NCc2cccs2)C1 ZINC000661378883 419255595 /nfs/dbraw/zinc/25/55/95/419255595.db2.gz NSNXSBREOFJMOV-KGLIPLIRSA-N 1 1 292.448 3.041 20 30 CGEDMO C[C@H](CO)[C@@H]1CCCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000661440545 419260162 /nfs/dbraw/zinc/26/01/62/419260162.db2.gz DNNPQQMHULHZAH-PBHICJAKSA-N 1 1 291.822 3.174 20 30 CGEDMO C[C@@H](CO)[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1Cl ZINC000661441910 419261437 /nfs/dbraw/zinc/26/14/37/419261437.db2.gz IIOVEZQGHGLVMI-YOEHRIQHSA-N 1 1 291.822 3.174 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)[C@@H]1CCO ZINC000661493083 419266764 /nfs/dbraw/zinc/26/67/64/419266764.db2.gz NJFHFZVBYPJVRQ-RHSMWYFYSA-N 1 1 291.822 3.174 20 30 CGEDMO C[C@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)[C@@H]1CCO ZINC000661497083 419266929 /nfs/dbraw/zinc/26/69/29/419266929.db2.gz HURSJKOXAVEJFQ-WMLDXEAASA-N 1 1 291.822 3.174 20 30 CGEDMO C=CCOCC[N@@H+](Cc1ccccc1)[C@@H]1COC(C)(C)C1 ZINC000661196442 419239625 /nfs/dbraw/zinc/23/96/25/419239625.db2.gz SBZNIKQYBFAHJV-KRWDZBQOSA-N 1 1 289.419 3.259 20 30 CGEDMO C=CC[N@@H+](CC(=O)NCc1ccc(Cl)cc1)C(C)(C)C ZINC000661756362 419295462 /nfs/dbraw/zinc/29/54/62/419295462.db2.gz LSBQACGRSWXXJV-UHFFFAOYSA-N 1 1 294.826 3.243 20 30 CGEDMO N#Cc1ccc(C[NH+]2CCC3(CCCC3=O)CC2)c(F)c1 ZINC000661951706 419314796 /nfs/dbraw/zinc/31/47/96/419314796.db2.gz QSKJQAXNIWLRMD-UHFFFAOYSA-N 1 1 286.350 3.033 20 30 CGEDMO Cc1cc(C)n(-c2ccc(C[NH2+][C@H]3CCC[C@@H]3C#N)cc2)n1 ZINC000331605100 228114201 /nfs/dbraw/zinc/11/42/01/228114201.db2.gz BLEBPSADQRYZEK-AEFFLSMTSA-N 1 1 294.402 3.271 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)N1CCCC[C@H]1CC ZINC000662081550 419333265 /nfs/dbraw/zinc/33/32/65/419333265.db2.gz USWJNHLUVWGVRB-VVLHAWIVSA-N 1 1 290.451 3.349 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1ccc(C)cc1F ZINC000662080788 419333513 /nfs/dbraw/zinc/33/35/13/419333513.db2.gz QMGFBQFJXBFPIW-OKILXGFUSA-N 1 1 288.366 3.256 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccc(C)cc1F ZINC000662080788 419333514 /nfs/dbraw/zinc/33/35/14/419333514.db2.gz QMGFBQFJXBFPIW-OKILXGFUSA-N 1 1 288.366 3.256 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(-c2ccco2)no1 ZINC000662078671 419333751 /nfs/dbraw/zinc/33/37/51/419333751.db2.gz IXMXQSRYWGZHKF-TXEJJXNPSA-N 1 1 271.320 3.013 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1cccc(C(C)=O)c1 ZINC000662083215 419333784 /nfs/dbraw/zinc/33/37/84/419333784.db2.gz AGOLHFSRNZIBGG-CALCHBBNSA-N 1 1 298.386 3.011 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1cccc(C(C)=O)c1 ZINC000662083215 419333786 /nfs/dbraw/zinc/33/37/86/419333786.db2.gz AGOLHFSRNZIBGG-CALCHBBNSA-N 1 1 298.386 3.011 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N1CCCc2ccccc21 ZINC000662080375 419333790 /nfs/dbraw/zinc/33/37/90/419333790.db2.gz PCRKSRURGUSZHD-CALCHBBNSA-N 1 1 296.414 3.149 20 30 CGEDMO Cc1cc([C@H]2CCC[N@H+]2CC(C)(C)CCC#N)on1 ZINC000352096447 228181978 /nfs/dbraw/zinc/18/19/78/228181978.db2.gz GFNNDXPLYZJHQE-CYBMUJFWSA-N 1 1 261.369 3.450 20 30 CGEDMO C=CCCn1cc(C[N@H+]2CCCC[C@H]2CC2CCC2)nn1 ZINC000662157025 419346970 /nfs/dbraw/zinc/34/69/70/419346970.db2.gz NYVRMKHYIQMRLP-KRWDZBQOSA-N 1 1 288.439 3.399 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662229120 419366382 /nfs/dbraw/zinc/36/63/82/419366382.db2.gz PLIMYFGKQMQNAO-NWDGAFQWSA-N 1 1 265.319 3.384 20 30 CGEDMO C#CCC[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000299209870 260174721 /nfs/dbraw/zinc/17/47/21/260174721.db2.gz BYLVPOHUZLMYMH-UHFFFAOYSA-N 1 1 256.393 3.132 20 30 CGEDMO N#CCSCCC[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000080628864 260317240 /nfs/dbraw/zinc/31/72/40/260317240.db2.gz FXTOOUHUUNTMIQ-HNNXBMFYSA-N 1 1 292.473 3.423 20 30 CGEDMO C=CCC[C@H](NC(=O)[C@H](C)[NH+]1CC(C)C1)c1ccccc1 ZINC000518212153 260356600 /nfs/dbraw/zinc/35/66/00/260356600.db2.gz CVCHQFXAZIPPPK-RDJZCZTQSA-N 1 1 286.419 3.150 20 30 CGEDMO Cn1cc(Cl)cc1C[N@@H+](C)CCC(C)(C)C#N ZINC000119733927 260697218 /nfs/dbraw/zinc/69/72/18/260697218.db2.gz KZPJEMQSSCWYJR-UHFFFAOYSA-N 1 1 253.777 3.050 20 30 CGEDMO CCC(CC)C[N@H+](CCC#N)C[C@H](O)c1ccc(C#N)cc1 ZINC000156629855 261127844 /nfs/dbraw/zinc/12/78/44/261127844.db2.gz HFUPWHDZVZVUAG-SFHVURJKSA-N 1 1 299.418 3.244 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)C[C@H](O)c1ccc(C#N)cc1 ZINC000156629855 261127845 /nfs/dbraw/zinc/12/78/45/261127845.db2.gz HFUPWHDZVZVUAG-SFHVURJKSA-N 1 1 299.418 3.244 20 30 CGEDMO N#CCC1CC[NH+](Cc2ccc(Br)o2)CC1 ZINC000335291588 261290870 /nfs/dbraw/zinc/29/08/70/261290870.db2.gz HZZPWRCBGSDKBJ-UHFFFAOYSA-N 1 1 283.169 3.168 20 30 CGEDMO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CCCC#N ZINC000184740640 262028045 /nfs/dbraw/zinc/02/80/45/262028045.db2.gz LEJNYRIBSCNSAM-HZPDHXFCSA-N 1 1 285.435 3.036 20 30 CGEDMO C=C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000309921173 262052969 /nfs/dbraw/zinc/05/29/69/262052969.db2.gz QXAJFUUTHMZGJI-DZOHQFGASA-N 1 1 270.420 3.061 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCOCC2(CCCC2)C1 ZINC000364308036 262198485 /nfs/dbraw/zinc/19/84/85/262198485.db2.gz LOTKGUBQRPSJCB-UHFFFAOYSA-N 1 1 264.413 3.209 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H]1CCCOC1 ZINC000336839138 262399403 /nfs/dbraw/zinc/39/94/03/262399403.db2.gz SMTKXTUFTKEJDE-JQHSSLGASA-N 1 1 284.403 3.185 20 30 CGEDMO CC[N@@H+](CCOCCC#N)[C@H](C)c1ccc(F)cc1 ZINC000338924319 262571588 /nfs/dbraw/zinc/57/15/88/262571588.db2.gz HGKHNJPVGQPJJF-CYBMUJFWSA-N 1 1 264.344 3.139 20 30 CGEDMO C[C@H](O)C[C@H]1CCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411398090 262691531 /nfs/dbraw/zinc/69/15/31/262691531.db2.gz APFGRQCQPSGCBW-LSDHHAIUSA-N 1 1 264.413 3.086 20 30 CGEDMO CCc1ccc(-c2noc([C@@H](C)[NH2+]CCCC#N)n2)cc1 ZINC000273285262 263014935 /nfs/dbraw/zinc/01/49/35/263014935.db2.gz HNNCKBVXDBTVHC-GFCCVEGCSA-N 1 1 284.363 3.253 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000277670376 263042892 /nfs/dbraw/zinc/04/28/92/263042892.db2.gz JSSLABNIYLKMPD-AWEZNQCLSA-N 1 1 274.412 3.309 20 30 CGEDMO C[N@@H+](CCCOCc1ccccc1)CCCSCC#N ZINC000281353201 263068179 /nfs/dbraw/zinc/06/81/79/263068179.db2.gz LOAPRJCIGYKSQM-UHFFFAOYSA-N 1 1 292.448 3.172 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000289436924 263110180 /nfs/dbraw/zinc/11/01/80/263110180.db2.gz JTCCNUYTBSAJSS-KRWDZBQOSA-N 1 1 297.446 3.453 20 30 CGEDMO CCOc1ccc(C[N@@H+](CCOCCC#N)C(C)C)cc1 ZINC000293387154 263139735 /nfs/dbraw/zinc/13/97/35/263139735.db2.gz GQNUNBZTBLTJMT-UHFFFAOYSA-N 1 1 290.407 3.226 20 30 CGEDMO N#CCCOCC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000293590492 263143798 /nfs/dbraw/zinc/14/37/98/263143798.db2.gz OGBOZYAGKVOGRP-KURKYZTESA-N 1 1 284.403 3.185 20 30 CGEDMO C[C@]1(c2ccccc2)CCC[N@@H+](CCOCCC#N)CC1 ZINC000293699131 263147324 /nfs/dbraw/zinc/14/73/24/263147324.db2.gz WZIHZJHMMGHUHS-SFHVURJKSA-N 1 1 286.419 3.360 20 30 CGEDMO C[N@@H+](Cc1cc(F)c(F)c(F)c1)[C@H]1CC[C@@H](C#N)C1 ZINC000294370005 263160440 /nfs/dbraw/zinc/16/04/40/263160440.db2.gz BACOZFWZWXJCPM-KOLCDFICSA-N 1 1 268.282 3.228 20 30 CGEDMO COc1ccc([C@@H]2CC[N@H+]([C@H](C)CCC#N)C2)cc1 ZINC000298034713 263214401 /nfs/dbraw/zinc/21/44/01/263214401.db2.gz FZGCSIHFVWKAPA-UKRRQHHQSA-N 1 1 258.365 3.177 20 30 CGEDMO C=CC[N@H+](CCCC(=O)OCC)Cc1ccccc1 ZINC000120079369 263279857 /nfs/dbraw/zinc/27/98/57/263279857.db2.gz PTVMXADEPOASCY-UHFFFAOYSA-N 1 1 261.365 3.018 20 30 CGEDMO C=CC[C@@H](C)[C@@H](C)[NH2+]C1CCN(C2CCC2)CC1 ZINC000341472127 263341067 /nfs/dbraw/zinc/34/10/67/263341067.db2.gz ACGHCJPVYNKAAZ-ZIAGYGMSSA-N 1 1 250.430 3.194 20 30 CGEDMO C=C1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000342001710 263374976 /nfs/dbraw/zinc/37/49/76/263374976.db2.gz LFXYUQJELFSVGP-OAHLLOKOSA-N 1 1 272.392 3.282 20 30 CGEDMO C=C1CC[NH+]([C@H](C)C(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000342000874 263375455 /nfs/dbraw/zinc/37/54/55/263375455.db2.gz ZQYOSHDKORQERC-HUUCEWRRSA-N 1 1 284.403 3.005 20 30 CGEDMO COCC1(C#N)CC[NH+](Cc2ccccc2Cl)CC1 ZINC000342005529 263376389 /nfs/dbraw/zinc/37/63/89/263376389.db2.gz ZPZPWKBKYRHKOI-UHFFFAOYSA-N 1 1 278.783 3.092 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+]1Cc2ccccc2C[C@@H]1CC ZINC000342353697 263416903 /nfs/dbraw/zinc/41/69/03/263416903.db2.gz DXAHSHNUIGZZLL-SFHVURJKSA-N 1 1 298.430 3.024 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000425388302 264221632 /nfs/dbraw/zinc/22/16/32/264221632.db2.gz SCUFWOFITJUAMB-CQSZACIVSA-N 1 1 292.448 3.136 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000425388302 264221634 /nfs/dbraw/zinc/22/16/34/264221634.db2.gz SCUFWOFITJUAMB-CQSZACIVSA-N 1 1 292.448 3.136 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H](OC)C1CC1 ZINC000425407728 264284321 /nfs/dbraw/zinc/28/43/21/264284321.db2.gz PUDFLODTESZPML-QGZVFWFLSA-N 1 1 275.392 3.108 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000076734922 264343097 /nfs/dbraw/zinc/34/30/97/264343097.db2.gz JKYGNIBALAJIEA-MRXNPFEDSA-N 1 1 290.382 3.043 20 30 CGEDMO CC/C=C/CC[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000184393456 270058475 /nfs/dbraw/zinc/05/84/75/270058475.db2.gz YCZRUYHLENRAOM-ONEGZZNKSA-N 1 1 297.446 3.422 20 30 CGEDMO Cc1nn(C)c(C)c1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000195117315 270083480 /nfs/dbraw/zinc/08/34/80/270083480.db2.gz HZSCCAWKBTUHKP-UHFFFAOYSA-N 1 1 294.402 3.073 20 30 CGEDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000194922791 266074244 /nfs/dbraw/zinc/07/42/44/266074244.db2.gz VUQAHUWHIZJQCZ-KRWDZBQOSA-N 1 1 272.392 3.339 20 30 CGEDMO C=CCCC1(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000356542109 266134110 /nfs/dbraw/zinc/13/41/10/266134110.db2.gz NFVGKVOFMZHXNS-IRXDYDNUSA-N 1 1 298.430 3.294 20 30 CGEDMO C=CCOc1cccc(CN2CC[N@H+](C)C[C@H]2C(C)C)c1 ZINC000357215849 266266803 /nfs/dbraw/zinc/26/68/03/266266803.db2.gz QKNSRGJXPADVQE-SFHVURJKSA-N 1 1 288.435 3.023 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCN(C)C[C@H]2C(C)C)c1 ZINC000357215849 266266804 /nfs/dbraw/zinc/26/68/04/266266804.db2.gz QKNSRGJXPADVQE-SFHVURJKSA-N 1 1 288.435 3.023 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCN(C)C[C@H]2C(C)C)c1 ZINC000357215849 266266809 /nfs/dbraw/zinc/26/68/09/266266809.db2.gz QKNSRGJXPADVQE-SFHVURJKSA-N 1 1 288.435 3.023 20 30 CGEDMO CC[C@@H]1C[C@H](C)C[N@H+]1CCOc1ccc(C#N)cc1 ZINC000399720764 266385341 /nfs/dbraw/zinc/38/53/41/266385341.db2.gz COWOJFUEEMQIHL-DZGCQCFKSA-N 1 1 258.365 3.057 20 30 CGEDMO Cc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)ccn1 ZINC000527534364 270129301 /nfs/dbraw/zinc/12/93/01/270129301.db2.gz PISOMELQPMVOQE-UHFFFAOYSA-N 1 1 277.371 3.426 20 30 CGEDMO CCC[C@]1(CO)CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000367369646 266740060 /nfs/dbraw/zinc/74/00/60/266740060.db2.gz GGLCRUGEULZGQJ-INIZCTEOSA-N 1 1 266.429 3.191 20 30 CGEDMO CC[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000519818457 267227126 /nfs/dbraw/zinc/22/71/26/267227126.db2.gz GBOYPBRKQKPXNO-LBPRGKRZSA-N 1 1 273.336 3.088 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000121450830 267656644 /nfs/dbraw/zinc/65/66/44/267656644.db2.gz AMPNARBACYOAGF-KRWDZBQOSA-N 1 1 275.367 3.242 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2cc(C#N)cs2)Cc2ccccc2O1 ZINC000430118205 274353387 /nfs/dbraw/zinc/35/33/87/274353387.db2.gz DAOMJUWMMLIYNC-GFCCVEGCSA-N 1 1 284.384 3.403 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)Cc2ccccc2O1 ZINC000430118205 274353390 /nfs/dbraw/zinc/35/33/90/274353390.db2.gz DAOMJUWMMLIYNC-GFCCVEGCSA-N 1 1 284.384 3.403 20 30 CGEDMO COc1cc(C[N@H+]2CC(C)(C)[C@H]2C(C)C)ccc1C#N ZINC000552072107 289159820 /nfs/dbraw/zinc/15/98/20/289159820.db2.gz VUUMIYXEEDRNID-MRXNPFEDSA-N 1 1 272.392 3.433 20 30 CGEDMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2CC2(C#N)CC2)c1 ZINC000344036221 295319326 /nfs/dbraw/zinc/31/93/26/295319326.db2.gz FXNZKRJGGLPVSP-BBRMVZONSA-N 1 1 270.376 3.382 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000531868910 328053153 /nfs/dbraw/zinc/05/31/53/328053153.db2.gz OUGBXFPMMQXHOD-CQSZACIVSA-N 1 1 267.413 3.396 20 30 CGEDMO CC(C)C[N@@H+](Cc1ccc(OCC#N)cc1)C1CC1 ZINC000264559402 328160325 /nfs/dbraw/zinc/16/03/25/328160325.db2.gz OAUKXYJHGSRKOW-UHFFFAOYSA-N 1 1 258.365 3.209 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2C[C@H](C)C[C@H](O)C2)cc1Cl ZINC000414519873 328191469 /nfs/dbraw/zinc/19/14/69/328191469.db2.gz BWEMJIKOBDXZFO-OCCSQVGLSA-N 1 1 295.810 3.108 20 30 CGEDMO CC[N@@H+](Cc1c[nH]nc1-c1ccsc1)C[C@H](C)C#N ZINC000437587576 328208123 /nfs/dbraw/zinc/20/81/23/328208123.db2.gz GVMUSQXXIAFEER-LLVKDONJSA-N 1 1 274.393 3.120 20 30 CGEDMO CC[N@H+](Cc1c[nH]nc1-c1ccsc1)C[C@H](C)C#N ZINC000437587576 328208125 /nfs/dbraw/zinc/20/81/25/328208125.db2.gz GVMUSQXXIAFEER-LLVKDONJSA-N 1 1 274.393 3.120 20 30 CGEDMO CCC[N@@H+](CC(=O)Nc1ccccc1C)[C@@H]1CC[C@@H](C#N)C1 ZINC000278538025 328226659 /nfs/dbraw/zinc/22/66/59/328226659.db2.gz FZVYESLUYCJTHO-HZPDHXFCSA-N 1 1 299.418 3.338 20 30 CGEDMO CCOc1ccc(C[NH2+][C@H](CC)CC#N)cc1F ZINC000278595548 328227799 /nfs/dbraw/zinc/22/77/99/328227799.db2.gz IMFBHHSYGZHSBL-GFCCVEGCSA-N 1 1 250.317 3.006 20 30 CGEDMO CCn1ccnc1[C@H]1CCCC[N@@H+]1CCC(C)(C)C#N ZINC000293970421 328278681 /nfs/dbraw/zinc/27/86/81/328278681.db2.gz DBDRDPOIOWUYEI-CQSZACIVSA-N 1 1 274.412 3.370 20 30 CGEDMO CCn1ccnc1[C@H]1CCCC[N@H+]1CCC(C)(C)C#N ZINC000293970421 328278683 /nfs/dbraw/zinc/27/86/83/328278683.db2.gz DBDRDPOIOWUYEI-CQSZACIVSA-N 1 1 274.412 3.370 20 30 CGEDMO N#CCCOCC[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC000294585945 328281931 /nfs/dbraw/zinc/28/19/31/328281931.db2.gz MWLWNBPXYVSEFU-MRXNPFEDSA-N 1 1 258.365 3.144 20 30 CGEDMO CC(C)C[C@H]1CCC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000565782734 322091082 /nfs/dbraw/zinc/09/10/82/322091082.db2.gz JHDFENYRNRIWIV-CQSZACIVSA-N 1 1 257.381 3.211 20 30 CGEDMO C[N@@H+](CCSc1ccncc1C#N)Cc1ccccc1 ZINC000566578547 322130057 /nfs/dbraw/zinc/13/00/57/322130057.db2.gz VEDNXCKPGUTTFF-UHFFFAOYSA-N 1 1 283.400 3.177 20 30 CGEDMO C[C@@H](NCC[N@H+]1CC[C@@H](C)C1)c1ccc(C#N)cc1Cl ZINC000570235638 322268584 /nfs/dbraw/zinc/26/85/84/322268584.db2.gz LJVSWECJLVNXFR-CHWSQXEVSA-N 1 1 291.826 3.204 20 30 CGEDMO C[C@@H]([NH2+]CCN1CC[C@@H](C)C1)c1ccc(C#N)cc1Cl ZINC000570235638 322268585 /nfs/dbraw/zinc/26/85/85/322268585.db2.gz LJVSWECJLVNXFR-CHWSQXEVSA-N 1 1 291.826 3.204 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)cn1)Cc1ccccc1C ZINC000571116478 322290166 /nfs/dbraw/zinc/29/01/66/322290166.db2.gz SGZITPQUXXCQEH-UHFFFAOYSA-N 1 1 265.360 3.284 20 30 CGEDMO CC(C)([NH2+]Cc1ccc(C#N)cn1)c1ccc(F)c(F)c1 ZINC000571340451 322296149 /nfs/dbraw/zinc/29/61/49/322296149.db2.gz BMJXXOFVWMOGDG-UHFFFAOYSA-N 1 1 287.313 3.256 20 30 CGEDMO CCn1ccnc1C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000572694347 322350018 /nfs/dbraw/zinc/35/00/18/322350018.db2.gz BCZUARCSQXUZBT-QGZVFWFLSA-N 1 1 294.402 3.332 20 30 CGEDMO C=CCCC[N@@H+](C[C@H](C)c1ccccc1)[C@@H](C)CO ZINC000558135750 327074894 /nfs/dbraw/zinc/07/48/94/327074894.db2.gz AUBQEINVCOQBJX-HOTGVXAUSA-N 1 1 261.409 3.439 20 30 CGEDMO C=CCOc1cccc(C[N@H+](C)C2CC(OCC)C2)c1 ZINC000558424140 327093272 /nfs/dbraw/zinc/09/32/72/327093272.db2.gz YUXNBIYUANJXTI-UHFFFAOYSA-N 1 1 275.392 3.251 20 30 CGEDMO N#CCSCCC[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000074980512 327122507 /nfs/dbraw/zinc/12/25/07/327122507.db2.gz XXWAWCUTJAXQDP-OAHLLOKOSA-N 1 1 260.406 3.470 20 30 CGEDMO N#CCCCC[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000076806718 327131038 /nfs/dbraw/zinc/13/10/38/327131038.db2.gz PIEURQXSBUROCE-OAHLLOKOSA-N 1 1 260.356 3.384 20 30 CGEDMO C[C@@H](CC#N)[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000049525888 327286789 /nfs/dbraw/zinc/28/67/89/327286789.db2.gz FEFNPMQYOJIRQD-UWVGGRQHSA-N 1 1 267.170 3.402 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+]CCOc1ccc2ccccc2c1 ZINC000560863855 327348313 /nfs/dbraw/zinc/34/83/13/327348313.db2.gz WDKPJGZVBOLROE-HNNXBMFYSA-N 1 1 293.370 3.252 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000121571101 327354559 /nfs/dbraw/zinc/35/45/59/327354559.db2.gz RFUDAKYQDOZQQS-UHFFFAOYSA-N 1 1 258.134 3.206 20 30 CGEDMO CC1(C)C[N@@H+](CCCCC#N)Cc2ccccc2O1 ZINC000377547101 329018248 /nfs/dbraw/zinc/01/82/48/329018248.db2.gz ZOLIVMAXZWNTAE-UHFFFAOYSA-N 1 1 258.365 3.353 20 30 CGEDMO CCCCCCCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000378024360 329037203 /nfs/dbraw/zinc/03/72/03/329037203.db2.gz GYCLCZLXHVXJTC-HNNXBMFYSA-N 1 1 291.439 3.231 20 30 CGEDMO C=CC[N@H+](Cc1cnn(C=C)c1)Cc1ccc(OC)cc1 ZINC000193785443 329063012 /nfs/dbraw/zinc/06/30/12/329063012.db2.gz OPDIGUBKBQQOTD-UHFFFAOYSA-N 1 1 283.375 3.180 20 30 CGEDMO C=CC[N@@H+](Cc1cnn(C=C)c1)Cc1ccc(OC)cc1 ZINC000193785443 329063014 /nfs/dbraw/zinc/06/30/14/329063014.db2.gz OPDIGUBKBQQOTD-UHFFFAOYSA-N 1 1 283.375 3.180 20 30 CGEDMO OCC[N@@H+](CC#Cc1ccc(Cl)cc1)Cc1ccccc1 ZINC000177026437 329180349 /nfs/dbraw/zinc/18/03/49/329180349.db2.gz ZYBPRCRTMQKCRO-UHFFFAOYSA-N 1 1 299.801 3.186 20 30 CGEDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000177163575 329180960 /nfs/dbraw/zinc/18/09/60/329180960.db2.gz AOUSZUOVKNCQQM-IAGOWNOFSA-N 1 1 291.822 3.317 20 30 CGEDMO C=CC[NH+]1CCC(N[C@H](C)c2cc(F)ccc2F)CC1 ZINC000177905629 329190189 /nfs/dbraw/zinc/19/01/89/329190189.db2.gz LWNJAFBBYMMAJI-GFCCVEGCSA-N 1 1 280.362 3.266 20 30 CGEDMO N#Cc1c(NC[C@H]2CC[N@H+](C3CC3)C2)cccc1C(F)F ZINC000582796616 329208573 /nfs/dbraw/zinc/20/85/73/329208573.db2.gz UWMPCIWDCOZPAG-LLVKDONJSA-N 1 1 291.345 3.392 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCSC[C@@H]2C)cc1OC ZINC000179663939 329210958 /nfs/dbraw/zinc/21/09/58/329210958.db2.gz SKTSTADHJDEUOB-ZDUSSCGKSA-N 1 1 293.432 3.197 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cc(Cl)c(OC)c(OC)c1 ZINC000181049885 329225563 /nfs/dbraw/zinc/22/55/63/329225563.db2.gz LNZRNSXAYUFMJR-UHFFFAOYSA-N 1 1 269.772 3.365 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1cc(C(C)=O)ccc1OCC ZINC000181288066 329229947 /nfs/dbraw/zinc/22/99/47/329229947.db2.gz HUPBZRSWSIZESZ-UHFFFAOYSA-N 1 1 261.365 3.296 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cc(C(C)=O)ccc1OCC ZINC000181288066 329229948 /nfs/dbraw/zinc/22/99/48/329229948.db2.gz HUPBZRSWSIZESZ-UHFFFAOYSA-N 1 1 261.365 3.296 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000181299040 329230430 /nfs/dbraw/zinc/23/04/30/329230430.db2.gz JIAYXEUYKUGGNS-CQSZACIVSA-N 1 1 260.381 3.138 20 30 CGEDMO C=CCCCC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181555744 329234392 /nfs/dbraw/zinc/23/43/92/329234392.db2.gz SFPLLVIJFUPMAO-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C[N@@H+](Cc1ccncc1)Cc1cccc(OCCCC#N)c1 ZINC000183747964 329250020 /nfs/dbraw/zinc/25/00/20/329250020.db2.gz APJRDKJRGQFPTA-UHFFFAOYSA-N 1 1 295.386 3.396 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)Nc1cccnc1-n1cc[nH+]c1C ZINC000184400588 329259432 /nfs/dbraw/zinc/25/94/32/329259432.db2.gz GYPUXZHLOIXASJ-LBPRGKRZSA-N 1 1 284.363 3.117 20 30 CGEDMO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1cn(-c2ccccc2)nn1 ZINC000185855300 329333706 /nfs/dbraw/zinc/33/37/06/329333706.db2.gz UFHOWUHYMZFMBI-SOUVJXGZSA-N 1 1 295.390 3.000 20 30 CGEDMO COc1cccc2c(N3CCC(C#N)CC3)cc(C)[nH+]c12 ZINC000123509512 329559617 /nfs/dbraw/zinc/55/96/17/329559617.db2.gz WFOWKSKIXJFNSS-UHFFFAOYSA-N 1 1 281.359 3.292 20 30 CGEDMO N#CCC[C@H](C#N)C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000073437264 329860980 /nfs/dbraw/zinc/86/09/80/329860980.db2.gz KOQGLCJFYNZTEU-CQSZACIVSA-N 1 1 283.375 3.015 20 30 CGEDMO C=CCCCCCN(C)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000273008547 330090049 /nfs/dbraw/zinc/09/00/49/330090049.db2.gz RZNQLJKMXKVJJP-OAHLLOKOSA-N 1 1 293.455 3.025 20 30 CGEDMO Cc1csc([C@@H](C)[NH2+]CC#Cc2ccccc2)n1 ZINC000080311450 330123213 /nfs/dbraw/zinc/12/32/13/330123213.db2.gz RPCXRYUQXFWGJF-CYBMUJFWSA-N 1 1 256.374 3.154 20 30 CGEDMO C=C(CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000423021060 330165599 /nfs/dbraw/zinc/16/55/99/330165599.db2.gz BCPLYUGWTHDHGE-RCCFBDPRSA-N 1 1 270.420 3.210 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)CCC(C)(C)C(=O)OC ZINC000527218507 330238483 /nfs/dbraw/zinc/23/84/83/330238483.db2.gz XXHYYKKECQQASU-UHFFFAOYSA-N 1 1 289.419 3.306 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cccnc1C(F)(F)F ZINC000528346805 330321311 /nfs/dbraw/zinc/32/13/11/330321311.db2.gz UKZKZBXOLGHZJM-UHFFFAOYSA-N 1 1 258.287 3.498 20 30 CGEDMO N#CC1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000057908002 330381081 /nfs/dbraw/zinc/38/10/81/330381081.db2.gz XRVIZLWFFURWJT-UHFFFAOYSA-N 1 1 268.282 3.441 20 30 CGEDMO Clc1ccc(C#CC[N@H+]2CCCSCC2)cc1 ZINC000089981188 330388794 /nfs/dbraw/zinc/38/87/94/330388794.db2.gz HJUMWRWRHQBDFT-UHFFFAOYSA-N 1 1 265.809 3.130 20 30 CGEDMO C=CCC[C@@H]([NH2+]CCCN1CCC(C)CC1)C1CC1 ZINC000439078216 330733507 /nfs/dbraw/zinc/73/35/07/330733507.db2.gz PFCNSECVESDSLC-QGZVFWFLSA-N 1 1 264.457 3.443 20 30 CGEDMO CCOc1ccccc1[C@H](C)[NH2+]CC1(C#N)CCC1 ZINC000450671559 330992488 /nfs/dbraw/zinc/99/24/88/330992488.db2.gz WCPFFCZTUMCQQV-ZDUSSCGKSA-N 1 1 258.365 3.430 20 30 CGEDMO Cc1ccc([C@@H](C)[NH2+]CC2(C#N)CCC2)cc1[N+](=O)[O-] ZINC000450690358 330993912 /nfs/dbraw/zinc/99/39/12/330993912.db2.gz ZAQSOTUWPNQGDL-GFCCVEGCSA-N 1 1 273.336 3.248 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1[C@H](C)[C@H](CC(F)(F)F)C[C@@H]1C ZINC000451150467 331017775 /nfs/dbraw/zinc/01/77/75/331017775.db2.gz WOHCMCAEXZGABR-RNJOBUHISA-N 1 1 279.346 3.365 20 30 CGEDMO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1ccc(CC#N)cc1 ZINC000459596173 331289903 /nfs/dbraw/zinc/28/99/03/331289903.db2.gz NWEGGFODAFNFGW-UHFFFAOYSA-N 1 1 296.418 3.144 20 30 CGEDMO CC#CCC[NH+]1CCN(c2ccc(F)cc2Cl)CC1 ZINC000462347013 331320103 /nfs/dbraw/zinc/32/01/03/331320103.db2.gz GOMCKBJHPRLGGY-UHFFFAOYSA-N 1 1 280.774 3.015 20 30 CGEDMO CC#CCC[N@@H+]1C[C@H](C)C[C@@H]1c1cccc(OC)c1 ZINC000462467120 331322425 /nfs/dbraw/zinc/32/24/25/331322425.db2.gz QIVXPGNDDFFPEG-RHSMWYFYSA-N 1 1 257.377 3.492 20 30 CGEDMO CC#CCCCC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000464434590 331360423 /nfs/dbraw/zinc/36/04/23/331360423.db2.gz ALPMNDJMOXPMDE-SJLPKXTDSA-N 1 1 298.430 3.132 20 30 CGEDMO C=CCC[C@@H](CCC)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000470326020 331479542 /nfs/dbraw/zinc/47/95/42/331479542.db2.gz CLUIDIGMSKJSNH-CHWSQXEVSA-N 1 1 255.402 3.441 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000489428601 332051488 /nfs/dbraw/zinc/05/14/88/332051488.db2.gz NKRNOXKLFYTLMS-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1cc(F)cc2c1OCOC2 ZINC000489442181 332052645 /nfs/dbraw/zinc/05/26/45/332052645.db2.gz SJBXTGRCAOFERN-HNNXBMFYSA-N 1 1 277.339 3.233 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(F)cc2c1OCOC2 ZINC000489442181 332052646 /nfs/dbraw/zinc/05/26/46/332052646.db2.gz SJBXTGRCAOFERN-HNNXBMFYSA-N 1 1 277.339 3.233 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc(Cl)c1 ZINC000489440174 332052830 /nfs/dbraw/zinc/05/28/30/332052830.db2.gz SADGZOSGTZDHGC-AWEZNQCLSA-N 1 1 278.783 3.319 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(Cl)c1 ZINC000489440174 332052831 /nfs/dbraw/zinc/05/28/31/332052831.db2.gz SADGZOSGTZDHGC-AWEZNQCLSA-N 1 1 278.783 3.319 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1C[C@H](O)COc1cc(C)ccc1C ZINC000489489993 332055945 /nfs/dbraw/zinc/05/59/45/332055945.db2.gz BWOXKALOORQCOZ-IRXDYDNUSA-N 1 1 289.419 3.084 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cc(F)cc(F)c1 ZINC000489510936 332057645 /nfs/dbraw/zinc/05/76/45/332057645.db2.gz MSFQNILQLXAPRO-OAHLLOKOSA-N 1 1 294.345 3.334 20 30 CGEDMO C#C[C@H]([NH2+]Cc1ccc(N(C)CC)nc1)c1ccc(F)cc1 ZINC000491230773 332170642 /nfs/dbraw/zinc/17/06/42/332170642.db2.gz OUPUORBECCUIIG-KRWDZBQOSA-N 1 1 297.377 3.141 20 30 CGEDMO C#C[C@H](CC)NC1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000491516473 332228042 /nfs/dbraw/zinc/22/80/42/332228042.db2.gz UJAYLVURUZQMMJ-BFYDXBDKSA-N 1 1 262.441 3.031 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000174986632 333012473 /nfs/dbraw/zinc/01/24/73/333012473.db2.gz BBFRBBLBRNUJTB-MAUKXSAKSA-N 1 1 286.419 3.104 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000174986632 333012474 /nfs/dbraw/zinc/01/24/74/333012474.db2.gz BBFRBBLBRNUJTB-MAUKXSAKSA-N 1 1 286.419 3.104 20 30 CGEDMO C=CC[NH+](Cc1cncc(C[N@H+](CC=C)C2CC2)c1)C1CC1 ZINC000575831330 335120596 /nfs/dbraw/zinc/12/05/96/335120596.db2.gz CHBXOXWLKMDZIL-UHFFFAOYSA-N 1 1 297.446 3.382 20 30 CGEDMO C=CCN(Cc1cncc(C[N@@H+](CC=C)C2CC2)c1)C1CC1 ZINC000575831330 335120600 /nfs/dbraw/zinc/12/06/00/335120600.db2.gz CHBXOXWLKMDZIL-UHFFFAOYSA-N 1 1 297.446 3.382 20 30 CGEDMO C[N@H+](CCCN[C@H]1CCC[C@H](C#N)C1)C1CCCCC1 ZINC000185759350 333148348 /nfs/dbraw/zinc/14/83/48/333148348.db2.gz VNLBSKPJSNWHLK-HOTGVXAUSA-N 1 1 277.456 3.313 20 30 CGEDMO C[N@@H+](CCCN[C@H]1CCC[C@H](C#N)C1)C1CCCCC1 ZINC000185759350 333148350 /nfs/dbraw/zinc/14/83/50/333148350.db2.gz VNLBSKPJSNWHLK-HOTGVXAUSA-N 1 1 277.456 3.313 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000190611326 333208993 /nfs/dbraw/zinc/20/89/93/333208993.db2.gz SXZBHPVQPSSQBG-RDJZCZTQSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCCCC[NH+]1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000193368980 333248815 /nfs/dbraw/zinc/24/88/15/333248815.db2.gz PXWWHNHRIDYZHH-INIZCTEOSA-N 1 1 252.446 3.397 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000193368980 333248817 /nfs/dbraw/zinc/24/88/17/333248817.db2.gz PXWWHNHRIDYZHH-INIZCTEOSA-N 1 1 252.446 3.397 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000193368980 333248819 /nfs/dbraw/zinc/24/88/19/333248819.db2.gz PXWWHNHRIDYZHH-INIZCTEOSA-N 1 1 252.446 3.397 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(OC)c(OC)c1C ZINC000564295176 334003825 /nfs/dbraw/zinc/00/38/25/334003825.db2.gz XCRFLQDOVRDQTK-UHFFFAOYSA-N 1 1 263.381 3.410 20 30 CGEDMO C=CCCC[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000076110230 334072959 /nfs/dbraw/zinc/07/29/59/334072959.db2.gz MJHAALBOECTCGT-GOSISDBHSA-N 1 1 272.436 3.407 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000076110230 334072960 /nfs/dbraw/zinc/07/29/60/334072960.db2.gz MJHAALBOECTCGT-GOSISDBHSA-N 1 1 272.436 3.407 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCCC[C@H](SC)C1 ZINC000134588692 334095957 /nfs/dbraw/zinc/09/59/57/334095957.db2.gz LUSCONZUWQEQNB-GJZGRUSLSA-N 1 1 298.496 3.017 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000134656312 334099448 /nfs/dbraw/zinc/09/94/48/334099448.db2.gz KUVKFBIXPQLPDP-NWDGAFQWSA-N 1 1 288.819 3.117 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000134656312 334099450 /nfs/dbraw/zinc/09/94/50/334099450.db2.gz KUVKFBIXPQLPDP-NWDGAFQWSA-N 1 1 288.819 3.117 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000134820402 334105030 /nfs/dbraw/zinc/10/50/30/334105030.db2.gz IRJLONZSSHDOFA-OAHLLOKOSA-N 1 1 261.340 3.439 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000135174858 334118883 /nfs/dbraw/zinc/11/88/83/334118883.db2.gz FQRQANYKHGPPNB-IIDMSEBBSA-N 1 1 292.467 3.358 20 30 CGEDMO C[N@H+](Cc1ccccc1C(C)(C)C#N)C[C@H]1CCCOC1 ZINC000135206885 334119887 /nfs/dbraw/zinc/11/98/87/334119887.db2.gz RITDFOQKHZVHER-OAHLLOKOSA-N 1 1 286.419 3.346 20 30 CGEDMO C=CCC(CC=C)C(=O)N(CC)C[C@@H]1CCC[N@H+]1CC ZINC000547864500 334128119 /nfs/dbraw/zinc/12/81/19/334128119.db2.gz IZIKSJJCRBQAPJ-INIZCTEOSA-N 1 1 278.440 3.088 20 30 CGEDMO CC#CC[N@H+](Cc1cccc(C)c1)Cc1ccccn1 ZINC000081019356 334176327 /nfs/dbraw/zinc/17/63/27/334176327.db2.gz GAQRKISALIQAJV-UHFFFAOYSA-N 1 1 264.372 3.416 20 30 CGEDMO CC#CC[N@@H+](Cc1cccc(C)c1)Cc1ccccn1 ZINC000081019356 334176328 /nfs/dbraw/zinc/17/63/28/334176328.db2.gz GAQRKISALIQAJV-UHFFFAOYSA-N 1 1 264.372 3.416 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000550009883 334211173 /nfs/dbraw/zinc/21/11/73/334211173.db2.gz GPVIFUMTUIYYNJ-MRXNPFEDSA-N 1 1 295.810 3.386 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)cc1 ZINC000576343757 335191927 /nfs/dbraw/zinc/19/19/27/335191927.db2.gz FOLDARYVJXSJGV-ROUUACIJSA-N 1 1 284.403 3.144 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)ccc1F ZINC000576819433 335251276 /nfs/dbraw/zinc/25/12/76/335251276.db2.gz GRWLECUDCQCTAY-KRWDZBQOSA-N 1 1 296.345 3.351 20 30 CGEDMO C[N@@H+](CCNc1ccc(C#N)cc1F)C1CCCCC1 ZINC000576873646 335258471 /nfs/dbraw/zinc/25/84/71/335258471.db2.gz XLSZKUHBENQWTM-UHFFFAOYSA-N 1 1 275.371 3.374 20 30 CGEDMO N#CCN1CC[NH+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC000192610970 335286990 /nfs/dbraw/zinc/28/69/90/335286990.db2.gz YJRPAPABXYZYSO-UHFFFAOYSA-N 1 1 297.427 3.056 20 30 CGEDMO C[C@@H](O)[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccccc1F ZINC000577618037 335379164 /nfs/dbraw/zinc/37/91/64/335379164.db2.gz ZCKMRDBQHURZEK-VEVIJQCQSA-N 1 1 298.361 3.470 20 30 CGEDMO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1cscn1 ZINC000579149717 335716186 /nfs/dbraw/zinc/71/61/86/335716186.db2.gz YMTNHJILNWUOGX-QWRGUYRKSA-N 1 1 257.362 3.427 20 30 CGEDMO C[C@H]([NH2+][C@H]1C[C@H](C)n2ccnc21)c1cccc(C#N)c1 ZINC000581053783 336001384 /nfs/dbraw/zinc/00/13/84/336001384.db2.gz JFTPYVJYZQGXPB-HUBLWGQQSA-N 1 1 266.348 3.111 20 30 CGEDMO Cc1cc(C)n(CC[N@H+](C)[C@H](C)c2cccc(C#N)c2)n1 ZINC000425536461 534109000 /nfs/dbraw/zinc/10/90/00/534109000.db2.gz OPUMOFUJHQTVGK-OAHLLOKOSA-N 1 1 282.391 3.065 20 30 CGEDMO C#CCOc1ccc(C[N@H+](C)[C@H](C)c2cccnc2)cc1 ZINC000183729385 518323745 /nfs/dbraw/zinc/32/37/45/518323745.db2.gz MVPJRGHSPOVMOR-OAHLLOKOSA-N 1 1 280.371 3.287 20 30 CGEDMO Cc1occc1C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000414375605 534569680 /nfs/dbraw/zinc/56/96/80/534569680.db2.gz XSCDSZUZDCDHNS-UHFFFAOYSA-N 1 1 295.386 3.172 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000339677909 522035212 /nfs/dbraw/zinc/03/52/12/522035212.db2.gz FGNFHLALPMQMEY-HNNXBMFYSA-N 1 1 270.376 3.189 20 30 CGEDMO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(F)c(C#N)c2)s1 ZINC000185028516 526127469 /nfs/dbraw/zinc/12/74/69/526127469.db2.gz ZPBAARBYRYDZRX-SNVBAGLBSA-N 1 1 275.352 3.313 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000352025205 526444133 /nfs/dbraw/zinc/44/41/33/526444133.db2.gz KVYGSWMCGVYIGP-MRXNPFEDSA-N 1 1 286.419 3.095 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H]1C=CCCC1 ZINC000352788880 526561575 /nfs/dbraw/zinc/56/15/75/526561575.db2.gz AXHBUNNGIKNDHI-AWEZNQCLSA-N 1 1 261.365 3.259 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](C)C[C@@H]2CCCCO2)c1 ZINC000352675883 526896794 /nfs/dbraw/zinc/89/67/94/526896794.db2.gz GCMSYBVOPGWMNG-KRWDZBQOSA-N 1 1 275.392 3.252 20 30 CGEDMO C=C1CC[NH+](Cc2c(C)nn(CC(C)C)c2OCC)CC1 ZINC000353320755 526905237 /nfs/dbraw/zinc/90/52/37/526905237.db2.gz NUGPAQQSSIYDSK-UHFFFAOYSA-N 1 1 291.439 3.398 20 30 CGEDMO C=CCOc1ccccc1C[N@H+](CCC)CC(C)(C)O ZINC000353421052 526930030 /nfs/dbraw/zinc/93/00/30/526930030.db2.gz XJOATGPYKUDBBN-UHFFFAOYSA-N 1 1 277.408 3.234 20 30 CGEDMO C=CCCC1(C(=O)NCC[N@@H+]2CCCC[C@H]2CC)CC1 ZINC000356103720 527088215 /nfs/dbraw/zinc/08/82/15/527088215.db2.gz ZHVXLKFUSZUYEF-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C#CCOc1ccc(C[NH2+]C(C)(C)c2nccs2)cc1 ZINC000116380768 527104212 /nfs/dbraw/zinc/10/42/12/527104212.db2.gz JPLZHUVHTJBRIX-UHFFFAOYSA-N 1 1 286.400 3.180 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cnc2n[nH]c(C)c2c1 ZINC000353883172 527129502 /nfs/dbraw/zinc/12/95/02/527129502.db2.gz SBOINDLBYTWFPX-UHFFFAOYSA-N 1 1 272.396 3.445 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000344534410 527193430 /nfs/dbraw/zinc/19/34/30/527193430.db2.gz ZTPACYRCTODRRP-INIZCTEOSA-N 1 1 272.392 3.080 20 30 CGEDMO CC(C)(C)C[N@@H+](CCCO)Cc1ccc(C#N)cc1Cl ZINC000439418107 527683204 /nfs/dbraw/zinc/68/32/04/527683204.db2.gz FIEWFAUOMXLSGB-UHFFFAOYSA-N 1 1 294.826 3.442 20 30 CGEDMO CC(C)CC[C@H]1CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000356121146 527857020 /nfs/dbraw/zinc/85/70/20/527857020.db2.gz JBKXJGHGBIHGPQ-CYBMUJFWSA-N 1 1 263.410 3.415 20 30 CGEDMO CCC[C@@]1(C)CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000356127622 527934783 /nfs/dbraw/zinc/93/47/83/527934783.db2.gz XJQHCKLJIZASDF-AWEZNQCLSA-N 1 1 263.410 3.417 20 30 CGEDMO CCC[C@@]1(C)CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000356127622 527934788 /nfs/dbraw/zinc/93/47/88/527934788.db2.gz XJQHCKLJIZASDF-AWEZNQCLSA-N 1 1 263.410 3.417 20 30 CGEDMO CCC[C@H](C)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000177242391 528050406 /nfs/dbraw/zinc/05/04/06/528050406.db2.gz GQSFNPDUTHHMDE-INIZCTEOSA-N 1 1 285.435 3.255 20 30 CGEDMO CCCC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C1CC1 ZINC000441195175 528447171 /nfs/dbraw/zinc/44/71/71/528447171.db2.gz ILUMLRMOAASXFD-UHFFFAOYSA-N 1 1 296.374 3.373 20 30 CGEDMO CC[N@@H+](CCOCC1CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000159315236 528565439 /nfs/dbraw/zinc/56/54/39/528565439.db2.gz PCLWXARZKPUVFK-AWEZNQCLSA-N 1 1 272.392 3.368 20 30 CGEDMO CC[N@@H+](CCOc1ccc(C#N)cc1OC)CCC1CC1 ZINC000355049500 528573406 /nfs/dbraw/zinc/57/34/06/528573406.db2.gz DMSXELYUBCHHMI-UHFFFAOYSA-N 1 1 288.391 3.068 20 30 CGEDMO CC[N@@H+](CC[C@H](C)OCc1ccccc1)C[C@H](C)C#N ZINC000354875267 528585637 /nfs/dbraw/zinc/58/56/37/528585637.db2.gz WLNLWKYVMTXDFC-CVEARBPZSA-N 1 1 274.408 3.463 20 30 CGEDMO CC(C)[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356062415 528834007 /nfs/dbraw/zinc/83/40/07/528834007.db2.gz LHEHCEUQRJLGGU-UHFFFAOYSA-N 1 1 256.271 3.417 20 30 CGEDMO CC[C@@H](C)[N@@H+](C)CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000358571191 529343776 /nfs/dbraw/zinc/34/37/76/529343776.db2.gz OONBTRAXVVLBJO-OLZOCXBDSA-N 1 1 277.387 3.078 20 30 CGEDMO CCn1c2ccc(C)cc2[nH+]c1NCc1cccc(C#N)c1 ZINC000460671439 536000425 /nfs/dbraw/zinc/00/04/25/536000425.db2.gz NXZBAEVTZSEMMR-UHFFFAOYSA-N 1 1 290.370 3.270 20 30 CGEDMO Cc1nc(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)cs1 ZINC000728711603 571815901 /nfs/dbraw/zinc/81/59/01/571815901.db2.gz JNYWRSZNMCHVJQ-NSHDSACASA-N 1 1 287.388 3.032 20 30 CGEDMO C=CC[N@H+](Cc1ccc(F)cc1C(=O)OC)C(C)C ZINC000728914882 571847369 /nfs/dbraw/zinc/84/73/69/571847369.db2.gz YWKQADXUFTUREN-UHFFFAOYSA-N 1 1 265.328 3.009 20 30 CGEDMO C[C@@H]1CC(N=Nc2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000741461856 572411434 /nfs/dbraw/zinc/41/14/34/572411434.db2.gz RQMIDOXDGRCONL-SECBINFHSA-N 1 1 296.758 3.130 20 30 CGEDMO CCCCCCCCC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000732036869 572446533 /nfs/dbraw/zinc/44/65/33/572446533.db2.gz YDMDIUDMMRDRHI-INIZCTEOSA-N 1 1 280.456 3.432 20 30 CGEDMO CCCCCCCC[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000740877252 572465307 /nfs/dbraw/zinc/46/53/07/572465307.db2.gz IVFXUMPGTHAMCE-MRXNPFEDSA-N 1 1 280.456 3.434 20 30 CGEDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000740885072 572466788 /nfs/dbraw/zinc/46/67/88/572466788.db2.gz YNVIKOZVOUPLNO-NEPJUHHUSA-N 1 1 278.783 3.473 20 30 CGEDMO CC[N@H+]1CCC(=NN[C@H](C)c2ccccc2)[C@H](C)C1 ZINC000741461140 572499831 /nfs/dbraw/zinc/49/98/31/572499831.db2.gz FFEQUMPFDKAZHK-ZIAGYGMSSA-N 1 1 259.397 3.055 20 30 CGEDMO CCCCCCCC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000743922343 572695697 /nfs/dbraw/zinc/69/56/97/572695697.db2.gz ZGHVHJYVZKWPPR-UHFFFAOYSA-N 1 1 288.435 3.479 20 30 CGEDMO CCCC[N@@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000735305364 572714150 /nfs/dbraw/zinc/71/41/50/572714150.db2.gz XOLDSIOCXMJBFC-UHFFFAOYSA-N 1 1 266.772 3.474 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C#N)cc1F)C1CCCCC1 ZINC000744213787 572724171 /nfs/dbraw/zinc/72/41/71/572724171.db2.gz DPDJZDBIGLEIDA-UHFFFAOYSA-N 1 1 270.351 3.465 20 30 CGEDMO Cc1cc(F)ccc1[C@H](O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000746656186 572888154 /nfs/dbraw/zinc/88/81/54/572888154.db2.gz UPWYZVNRSCWQQW-GOSISDBHSA-N 1 1 298.361 3.171 20 30 CGEDMO C#CC[N@@H+](CC)Cc1c2ccccc2sc1C(=O)OC ZINC000749160452 572990202 /nfs/dbraw/zinc/99/02/02/572990202.db2.gz XUZBJEKRORQDNW-UHFFFAOYSA-N 1 1 287.384 3.143 20 30 CGEDMO C#CC[N@H+](CC)Cc1c2ccccc2sc1C(=O)OC ZINC000749160452 572990203 /nfs/dbraw/zinc/99/02/03/572990203.db2.gz XUZBJEKRORQDNW-UHFFFAOYSA-N 1 1 287.384 3.143 20 30 CGEDMO COc1ccc(C[N@@H+](C)CCc2ccccc2F)cc1C#N ZINC000749514678 573015028 /nfs/dbraw/zinc/01/50/28/573015028.db2.gz RQQAFZNHZDOZIF-UHFFFAOYSA-N 1 1 298.361 3.380 20 30 CGEDMO C=C(C)CC[NH+]1CC(N(CC)C(=O)c2csc(C)c2)C1 ZINC000956958339 613247023 /nfs/dbraw/zinc/24/70/23/613247023.db2.gz HYBSZBWHWRBHRX-UHFFFAOYSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)CC2=CCCCC2)CC1 ZINC000980846109 613252119 /nfs/dbraw/zinc/25/21/19/613252119.db2.gz ZYIPTOGQWLNZMP-UHFFFAOYSA-N 1 1 290.451 3.377 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC000981906416 613253074 /nfs/dbraw/zinc/25/30/74/613253074.db2.gz NCENSHMFDZKOCP-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)[C@@H]2CCC[C@H](F)C2)CC1 ZINC000981143074 613253661 /nfs/dbraw/zinc/25/36/61/613253661.db2.gz AAVSETGSXXEICS-CVEARBPZSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)[C@@]23C[C@@H]2CCCC3)CC1 ZINC000981915033 613255037 /nfs/dbraw/zinc/25/50/37/613255037.db2.gz CDFFZMHELCPORP-WMZOPIPTSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC23CC3)CC1 ZINC000948808811 613256350 /nfs/dbraw/zinc/25/63/50/613256350.db2.gz JQWNOSVZCFQCBK-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccco2)CC1 ZINC000948148935 613256708 /nfs/dbraw/zinc/25/67/08/613256708.db2.gz KUZFCMOKFUQEJQ-OAHLLOKOSA-N 1 1 290.407 3.172 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccsc2)[C@H](C)C1 ZINC000941784184 613267374 /nfs/dbraw/zinc/26/73/74/613267374.db2.gz IYLADVVODOXOKN-UKRRQHHQSA-N 1 1 292.448 3.155 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccsc2)[C@@H](C)C1 ZINC000941784177 613267431 /nfs/dbraw/zinc/26/74/31/613267431.db2.gz IYLADVVODOXOKN-DZGCQCFKSA-N 1 1 292.448 3.155 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccccc2)[C@@H](C)C1 ZINC000941759730 613271857 /nfs/dbraw/zinc/27/18/57/613271857.db2.gz DUQOMKVTLHVXSG-RDJZCZTQSA-N 1 1 286.419 3.093 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)CC2(C)CCCC2)CC1 ZINC000981104229 613307664 /nfs/dbraw/zinc/30/76/64/613307664.db2.gz UXFZIFJEUFNIEW-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)c2ccc(CC)s2)CC1 ZINC000981569788 613311888 /nfs/dbraw/zinc/31/18/88/613311888.db2.gz ZGRDYPVNTOPHCB-UHFFFAOYSA-N 1 1 292.448 3.035 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)c2ccc(CC)s2)CC1 ZINC000981569788 613311890 /nfs/dbraw/zinc/31/18/90/613311890.db2.gz ZGRDYPVNTOPHCB-UHFFFAOYSA-N 1 1 292.448 3.035 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)C2(C3CC3)CC2)CC1 ZINC000948466923 613313516 /nfs/dbraw/zinc/31/35/16/613313516.db2.gz IRZNMOSCGORPGC-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)C2CCCCC2)CC1 ZINC000948156611 613313818 /nfs/dbraw/zinc/31/38/18/613313818.db2.gz YNUUJFZINPIHOD-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)CC2CCC2)CC1 ZINC000948256420 613313885 /nfs/dbraw/zinc/31/38/85/613313885.db2.gz IZQPAESESFQUNC-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)c2cc(C)co2)CC1 ZINC000948697988 613314377 /nfs/dbraw/zinc/31/43/77/613314377.db2.gz VNFGVYOKWQFVFO-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2(C)CC2)C1 ZINC000963309757 613314552 /nfs/dbraw/zinc/31/45/52/613314552.db2.gz NSVZCWSVDLPBFF-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCC)C1 ZINC000963244853 613314761 /nfs/dbraw/zinc/31/47/61/613314761.db2.gz RIYVIACGDGKNHG-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C(C)=C2CCCC2)[C@@H](C)C1 ZINC000941944168 613326889 /nfs/dbraw/zinc/32/68/89/613326889.db2.gz SGTQFUATZCHSIG-WMLDXEAASA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C=C2CCCCC2)[C@@H](C)C1 ZINC000941873856 613327346 /nfs/dbraw/zinc/32/73/46/613327346.db2.gz IWYXFDNKPRWKMW-DOTOQJQBSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C=C(C)C)C2)C1 ZINC000961106362 613332121 /nfs/dbraw/zinc/33/21/21/613332121.db2.gz BUMIGWAVMAMTOL-DLBZAZTESA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC000965859072 613333334 /nfs/dbraw/zinc/33/33/34/613333334.db2.gz GMKLSQHPZHRSNV-UONOGXRCSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)o2)C[C@@H]1C ZINC000947061230 613335985 /nfs/dbraw/zinc/33/59/85/613335985.db2.gz NOQBPMFZGCTWIX-RYUDHWBXSA-N 1 1 296.798 3.092 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2csc(C)c2)[C@H](C)C1 ZINC000943644912 613336982 /nfs/dbraw/zinc/33/69/82/613336982.db2.gz BGFDVMJLLRXCKI-DOMZBBRYSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C=C(C)C)C2)C1 ZINC000961106369 613337506 /nfs/dbraw/zinc/33/75/06/613337506.db2.gz BUMIGWAVMAMTOL-SJORKVTESA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CC1 ZINC000960646599 613367638 /nfs/dbraw/zinc/36/76/38/613367638.db2.gz DBJBKFUFPXDGQH-AWEZNQCLSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)CC2CCC2)C1 ZINC000971603262 613367753 /nfs/dbraw/zinc/36/77/53/613367753.db2.gz QFCMNSITEBJQQQ-AWEZNQCLSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)C2CCC2)C1 ZINC000972012405 613369554 /nfs/dbraw/zinc/36/95/54/613369554.db2.gz PGAYLUIPARSAAU-AWEZNQCLSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)C2CCC2)C1 ZINC000972012405 613369555 /nfs/dbraw/zinc/36/95/55/613369555.db2.gz PGAYLUIPARSAAU-AWEZNQCLSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)C)C1 ZINC000963255704 613374349 /nfs/dbraw/zinc/37/43/49/613374349.db2.gz ZTMZKBMCTKLXIO-HUUCEWRRSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)C2CC2)C(C)(C)C1 ZINC000940654874 613376725 /nfs/dbraw/zinc/37/67/25/613376725.db2.gz FRQCCHQFMRISHO-TZMCWYRMSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)C2CC2)C(C)(C)C1 ZINC000940654874 613376726 /nfs/dbraw/zinc/37/67/26/613376726.db2.gz FRQCCHQFMRISHO-TZMCWYRMSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CC(C)(C)C2)[C@H](C)C1 ZINC000942019521 613378437 /nfs/dbraw/zinc/37/84/37/613378437.db2.gz FCBLHJLTVLKCPK-RISCZKNCSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CC(C)(C)C2)[C@H](C)C1 ZINC000942019521 613378438 /nfs/dbraw/zinc/37/84/38/613378438.db2.gz FCBLHJLTVLKCPK-RISCZKNCSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C1CCC(C(=O)N(C)[C@@H]2CCC[N@H+](CC)CC2)CC1 ZINC000948747235 613403547 /nfs/dbraw/zinc/40/35/47/613403547.db2.gz RZJURASPQFKNTH-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[C@H]2C[N@@H+](C)CC2CC2)CC1 ZINC000960832729 613405175 /nfs/dbraw/zinc/40/51/75/613405175.db2.gz OTAYOVGYRPOZGC-KRWDZBQOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[N@@H+](CCC2CCCC2)CC1 ZINC000981754332 613431057 /nfs/dbraw/zinc/43/10/57/613431057.db2.gz DCRWBEFRYMDWNH-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCC1 ZINC000960791202 613432029 /nfs/dbraw/zinc/43/20/29/613432029.db2.gz PHTACLCLXUXJIV-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC=CCC1 ZINC000968744392 613490308 /nfs/dbraw/zinc/49/03/08/613490308.db2.gz IILXSSNJVLKTEY-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccoc1C ZINC000968745020 613491826 /nfs/dbraw/zinc/49/18/26/613491826.db2.gz TVMBDAFZQWJCGW-HNNXBMFYSA-N 1 1 290.407 3.139 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)CC2(C)CCCC2)CC1 ZINC000981105813 613492164 /nfs/dbraw/zinc/49/21/64/613492164.db2.gz NNWFQQHMRCSQMH-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[C@H]2CC)CC1 ZINC000983389984 613493686 /nfs/dbraw/zinc/49/36/86/613493686.db2.gz MRCAWMHNJSXHHO-IAGOWNOFSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C(C)=C2CCCC2)C[C@H]1C ZINC000947195747 613518403 /nfs/dbraw/zinc/51/84/03/613518403.db2.gz MYCDONMUQVFUNU-RHSMWYFYSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2C=CCC2)C(C)(C)C1 ZINC000940562253 613520964 /nfs/dbraw/zinc/52/09/64/613520964.db2.gz DIGGEGXDZNPYLQ-HZPDHXFCSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2sccc2F)C[C@H]1C ZINC000947285292 613528485 /nfs/dbraw/zinc/52/84/85/613528485.db2.gz DEFXXUJYIWHWSL-VXGBXAGGSA-N 1 1 296.411 3.046 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(C=C)cc2)C1 ZINC000968345364 613531570 /nfs/dbraw/zinc/53/15/70/613531570.db2.gz KJHJYEUBUQHRQV-MAUKXSAKSA-N 1 1 298.430 3.346 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)CC2CCCCC2)[C@@H](C)C1 ZINC000941772356 613534684 /nfs/dbraw/zinc/53/46/84/613534684.db2.gz MYXIMRFDDIZRRU-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)o2)C[C@H]1C ZINC000947060284 613538386 /nfs/dbraw/zinc/53/83/86/613538386.db2.gz AUNOKZVXIZOGPL-NEPJUHHUSA-N 1 1 296.798 3.092 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2csc(C)c2)C[C@H]1C ZINC000947811169 613542123 /nfs/dbraw/zinc/54/21/23/613542123.db2.gz XADVNKYMVYWKNJ-DOMZBBRYSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2sccc2C)C(C)(C)C1 ZINC000972762764 613546648 /nfs/dbraw/zinc/54/66/48/613546648.db2.gz HRDBRCYGMVSWSJ-CYBMUJFWSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C2C(C)(C)C2(C)C)C(C)(C)C1 ZINC000972998894 613553546 /nfs/dbraw/zinc/55/35/46/613553546.db2.gz PDVFJDNOCOWANF-ZDUSSCGKSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCCC12CC2 ZINC000968913447 613683537 /nfs/dbraw/zinc/68/35/37/613683537.db2.gz GMXGJAOIKXXJDV-CVEARBPZSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1oc(C)cc1C ZINC000968793620 613685576 /nfs/dbraw/zinc/68/55/76/613685576.db2.gz JFYNRGNJNHQVAO-OAHLLOKOSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC000968991510 613686411 /nfs/dbraw/zinc/68/64/11/613686411.db2.gz ZOKXBOQJJGJQRW-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc(Cl)cs2)C1 ZINC000968387325 613730123 /nfs/dbraw/zinc/73/01/23/613730123.db2.gz YNZNRTXZPYGIOM-PWSUYJOCSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc(Cl)cs2)C1 ZINC000968387325 613730126 /nfs/dbraw/zinc/73/01/26/613730126.db2.gz YNZNRTXZPYGIOM-PWSUYJOCSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C2(C)CCCCC2)C[C@H]1C ZINC000947688955 613740563 /nfs/dbraw/zinc/74/05/63/613740563.db2.gz GGNOYGRTSSJAEN-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2sccc2Cl)C[C@@H]1C ZINC000947329270 613762981 /nfs/dbraw/zinc/76/29/81/613762981.db2.gz WGRGUTFYFKQPRF-WDEREUQCSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cc(C)cc(C)c2)C[C@@H]1C ZINC000947976262 613787575 /nfs/dbraw/zinc/78/75/75/613787575.db2.gz WVKSZKLTOZIMBA-RDJZCZTQSA-N 1 1 286.419 3.072 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC)C[C@@H]1C ZINC000947667919 613792095 /nfs/dbraw/zinc/79/20/95/613792095.db2.gz UCVDRKSNKLWGQL-HOCLYGCPSA-N 1 1 286.419 3.018 20 30 CGEDMO C=CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC000961109882 613804922 /nfs/dbraw/zinc/80/49/22/613804922.db2.gz IDKBKPFGSYRAGD-MSOLQXFVSA-N 1 1 298.430 3.047 20 30 CGEDMO C=C(Br)Cn1c[nH+]c2c1C[C@@H](C)[C@H](C)C2 ZINC000307545903 617987615 /nfs/dbraw/zinc/98/76/15/617987615.db2.gz KXCMNILNNSNPIP-RKDXNWHRSA-N 1 1 269.186 3.163 20 30 CGEDMO C=CC(C)(C)NC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000891266142 618069269 /nfs/dbraw/zinc/06/92/69/618069269.db2.gz GSAMTPAXOFLBPK-INIZCTEOSA-N 1 1 286.419 3.190 20 30 CGEDMO C#Cc1ccc(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)cc1 ZINC000891312909 618101624 /nfs/dbraw/zinc/10/16/24/618101624.db2.gz CYHYYNYHJXFMTK-CYBMUJFWSA-N 1 1 281.359 3.017 20 30 CGEDMO C[N@@H+](CCC1(C#N)CCCCC1)Cc1cccc(=O)[nH]1 ZINC000933400865 618225648 /nfs/dbraw/zinc/22/56/48/618225648.db2.gz BAADDANOAGBVEJ-UHFFFAOYSA-N 1 1 273.380 3.083 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@H]2c2ccccn2)cs1 ZINC000891631287 618243129 /nfs/dbraw/zinc/24/31/29/618243129.db2.gz USTHUSLNMHLJQL-HNNXBMFYSA-N 1 1 269.373 3.352 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@H]2c2ccccn2)cs1 ZINC000891631287 618243130 /nfs/dbraw/zinc/24/31/30/618243130.db2.gz USTHUSLNMHLJQL-HNNXBMFYSA-N 1 1 269.373 3.352 20 30 CGEDMO CCSc1ccccc1C(C)=NNc1cc[nH+]cc1 ZINC000779811807 618391115 /nfs/dbraw/zinc/39/11/15/618391115.db2.gz JZOBAXRRPBDTHF-UHFFFAOYSA-N 1 1 271.389 3.452 20 30 CGEDMO C#CCCCCCCn1cc(C[N@H+](C)C(C)(C)C)nn1 ZINC000900640968 620804496 /nfs/dbraw/zinc/80/44/96/620804496.db2.gz JKSRMCMPEOAOTM-UHFFFAOYSA-N 1 1 276.428 3.092 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)cs1 ZINC000892122484 618544470 /nfs/dbraw/zinc/54/44/70/618544470.db2.gz WRYJMDUBVPCRFE-UONOGXRCSA-N 1 1 278.446 3.480 20 30 CGEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2csc(C#N)c2)C12CCC2 ZINC000892230023 618608667 /nfs/dbraw/zinc/60/86/67/618608667.db2.gz VLUXRHFZQJBWLL-CABCVRRESA-N 1 1 290.432 3.399 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000934462282 618623930 /nfs/dbraw/zinc/62/39/30/618623930.db2.gz RPFOUXXUXZDGID-CYBMUJFWSA-N 1 1 276.336 3.144 20 30 CGEDMO C[C@@H]1[C@@H](C)CCC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000050564777 618668613 /nfs/dbraw/zinc/66/86/13/618668613.db2.gz OGSDQDOARTUQRK-LSDHHAIUSA-N 1 1 272.392 3.448 20 30 CGEDMO C#CC[N@H+](C[C@H](O)c1ccc(F)cc1C)C1CCCC1 ZINC000155779444 618705512 /nfs/dbraw/zinc/70/55/12/618705512.db2.gz UPJRNVAXKKIEBQ-KRWDZBQOSA-N 1 1 275.367 3.045 20 30 CGEDMO Cc1nonc1[C@@H](C)[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000926479222 618706136 /nfs/dbraw/zinc/70/61/36/618706136.db2.gz INZMOSTVDARBJF-IUODEOHRSA-N 1 1 284.363 3.464 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H](CC)CC1 ZINC001018197730 618894294 /nfs/dbraw/zinc/89/42/94/618894294.db2.gz UVXNEDICQXTPDM-KGASUQACSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H](CC)CC1 ZINC001018197730 618894296 /nfs/dbraw/zinc/89/42/96/618894296.db2.gz UVXNEDICQXTPDM-KGASUQACSA-N 1 1 290.451 3.064 20 30 CGEDMO C#CCCNc1cc[nH+]c2c(Br)cccc12 ZINC000309556260 618925420 /nfs/dbraw/zinc/92/54/20/618925420.db2.gz MOXFOGJBFWVYHC-UHFFFAOYSA-N 1 1 275.149 3.433 20 30 CGEDMO CCCC(N)=[NH+]OCc1cc(C)nc2ccccc12 ZINC000174145533 618956289 /nfs/dbraw/zinc/95/62/89/618956289.db2.gz TYBLQIQUQIUCCP-UHFFFAOYSA-N 1 1 257.337 3.132 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1cc(Cl)c(OCC)c(OC)c1 ZINC000775183046 619003054 /nfs/dbraw/zinc/00/30/54/619003054.db2.gz GWSLLBCMKFRFSH-NSHDSACASA-N 1 1 281.783 3.201 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](CC2CCC(C#N)CC2)CCCO1 ZINC000930588105 619023926 /nfs/dbraw/zinc/02/39/26/619023926.db2.gz DEJVMKASRFFIKC-UYSNPLJNSA-N 1 1 264.413 3.063 20 30 CGEDMO C[C@@H](C[N@@H+](C)CC1CCC(C#N)CC1)C(=O)OC(C)(C)C ZINC000930706594 619064277 /nfs/dbraw/zinc/06/42/77/619064277.db2.gz UMGXEIDJBBNPEU-NFOMZHRRSA-N 1 1 294.439 3.226 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)CC2CCCCC2)C1 ZINC001006669344 619148923 /nfs/dbraw/zinc/14/89/23/619148923.db2.gz UHKHUXQPYYDKSU-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(Cl)cs2)C1 ZINC001008763205 619159030 /nfs/dbraw/zinc/15/90/30/619159030.db2.gz XWFKSNUPASTIJM-GFCCVEGCSA-N 1 1 298.839 3.172 20 30 CGEDMO C#CCC(C)(C)C(=O)N1CCC(C[N@H+](C)CCCC)CC1 ZINC000185230034 625324684 /nfs/dbraw/zinc/32/46/84/625324684.db2.gz GTFJBDAQDAASHH-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO Cc1ccc2c(c1)nc(C[NH2+]Cc1csc(C#N)c1)n2C ZINC000893648636 619268894 /nfs/dbraw/zinc/26/88/94/619268894.db2.gz JZHIBQLFHHHEEI-UHFFFAOYSA-N 1 1 296.399 3.105 20 30 CGEDMO Cc1nc([C@@H]2CC[N@@H+](CCC3(C#N)CCCCC3)C2)no1 ZINC000931934931 619283632 /nfs/dbraw/zinc/28/36/32/619283632.db2.gz IOACGAKXVMZMHA-CQSZACIVSA-N 1 1 288.395 3.032 20 30 CGEDMO C[C@@H](C#N)C[N@H+](C)Cc1cc2c(cccc2O)s1 ZINC000893962472 619338425 /nfs/dbraw/zinc/33/84/25/619338425.db2.gz OGRQCUDHTNCBSO-JTQLQIEISA-N 1 1 260.362 3.198 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C)Cc1cc2c(cccc2O)s1 ZINC000893962472 619338426 /nfs/dbraw/zinc/33/84/26/619338426.db2.gz OGRQCUDHTNCBSO-JTQLQIEISA-N 1 1 260.362 3.198 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000894202853 619413146 /nfs/dbraw/zinc/41/31/46/619413146.db2.gz AAUHOLCNAHYURN-UHFFFAOYSA-N 1 1 254.255 3.157 20 30 CGEDMO C[C@H](C#N)C[N@@H+](CC[C@H]1CCCC1(F)F)C1CC1 ZINC000878299792 619423275 /nfs/dbraw/zinc/42/32/75/619423275.db2.gz ZBDNNJCWUJKACP-VXGBXAGGSA-N 1 1 256.340 3.436 20 30 CGEDMO CCOc1ccc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)o1 ZINC000894270604 619457735 /nfs/dbraw/zinc/45/77/35/619457735.db2.gz FXDXWFWAJMKRKC-UHFFFAOYSA-N 1 1 290.750 3.493 20 30 CGEDMO Cc1ccc(CO[NH+]=C(N)C2CCCCC2)c(C)n1 ZINC000185346170 625347788 /nfs/dbraw/zinc/34/77/88/625347788.db2.gz FJTLGXDJHSOQLC-UHFFFAOYSA-N 1 1 261.369 3.068 20 30 CGEDMO N#CCCc1ccc(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)cc1 ZINC000928399557 619515962 /nfs/dbraw/zinc/51/59/62/619515962.db2.gz RKQDMNOCLUTHCD-DLBZAZTESA-N 1 1 297.402 3.098 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc2ccnc(Cl)c2s1 ZINC000894573590 619580117 /nfs/dbraw/zinc/58/01/17/619580117.db2.gz FIJUMNKNKCJKJU-SECBINFHSA-N 1 1 264.781 3.403 20 30 CGEDMO CCCc1nc(C)c(C[NH2+]CC#Cc2ccccc2)o1 ZINC000894594990 619587725 /nfs/dbraw/zinc/58/77/25/619587725.db2.gz XHKQJPCNLFHBLD-UHFFFAOYSA-N 1 1 268.360 3.077 20 30 CGEDMO CCCCCCCCC[NH+]1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000792220884 619630761 /nfs/dbraw/zinc/63/07/61/619630761.db2.gz WAFDWWATAQNCIM-MSOLQXFVSA-N 1 1 296.499 3.268 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(Cl)n1 ZINC000075596312 625370354 /nfs/dbraw/zinc/37/03/54/625370354.db2.gz MOEPKZOGFCYEHL-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(Cl)n1 ZINC000075596312 625370357 /nfs/dbraw/zinc/37/03/57/625370357.db2.gz MOEPKZOGFCYEHL-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO COc1cc(C[N@H+]2CC[C@H](c3nccs3)C2)ccc1C#N ZINC000895582326 619856424 /nfs/dbraw/zinc/85/64/24/619856424.db2.gz RDVJPNSSANZKDG-AWEZNQCLSA-N 1 1 299.399 3.013 20 30 CGEDMO C=C(C)C[C@@H]([NH2+][C@@H](C)CCC(F)(F)F)C(=O)OCC ZINC000895597739 619858598 /nfs/dbraw/zinc/85/85/98/619858598.db2.gz KGECFSJHPBEFPK-WDEREUQCSA-N 1 1 281.318 3.205 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1 ZINC000895842712 619892915 /nfs/dbraw/zinc/89/29/15/619892915.db2.gz FGAFNNNCFOIPQZ-WMZOPIPTSA-N 1 1 287.403 3.252 20 30 CGEDMO COc1ccc(C[N@@H+](C)CCCF)cc1OCCCC#N ZINC000895898465 619903405 /nfs/dbraw/zinc/90/34/05/619903405.db2.gz SVROIMJUHMNMII-UHFFFAOYSA-N 1 1 294.370 3.169 20 30 CGEDMO N#Cc1csc(C[N@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)c1 ZINC000896234023 619972410 /nfs/dbraw/zinc/97/24/10/619972410.db2.gz YWNNYHYUZGKXSI-WBVHZDCISA-N 1 1 280.396 3.393 20 30 CGEDMO CCc1[nH+]c2ccccc2c(N2CCO[C@](C)(C#N)C2)c1C ZINC000896860419 620078187 /nfs/dbraw/zinc/07/81/87/620078187.db2.gz PNLFSVLWPXUETI-GOSISDBHSA-N 1 1 295.386 3.225 20 30 CGEDMO C[N@@H+](CCCCN=Cc1cc2ccccc2[nH]c1=O)C1CC1 ZINC000840709038 620098404 /nfs/dbraw/zinc/09/84/04/620098404.db2.gz HCRIABOBQXFDQU-UYRXBGFRSA-N 1 1 297.402 3.234 20 30 CGEDMO C=C1CC(C)(c2noc(C[NH+]3[C@H](C)CC[C@H]3C)n2)C1 ZINC000896916204 620098759 /nfs/dbraw/zinc/09/87/59/620098759.db2.gz URCWNEWGBQIUCT-VXGBXAGGSA-N 1 1 261.369 3.050 20 30 CGEDMO Cc1cccc2c1[C@@H](C)/C(=C\c1c[nH+]c(N(C)C)n1C)C2=O ZINC000840721057 620195546 /nfs/dbraw/zinc/19/55/46/620195546.db2.gz RJEDIYOHTYWFGR-DGGAMASNSA-N 1 1 295.386 3.178 20 30 CGEDMO C=Cc1ccc(C(=O)N2CCC([N@@H+](C)CC(=C)C)CC2)cc1 ZINC000985662276 620228378 /nfs/dbraw/zinc/22/83/78/620228378.db2.gz OMUJXCFGQXLFPN-UHFFFAOYSA-N 1 1 298.430 3.442 20 30 CGEDMO Cc1cc(F)ncc1C[N@H+](C)Cc1cc(C#N)cs1 ZINC000897624446 620411963 /nfs/dbraw/zinc/41/19/63/620411963.db2.gz KLMLKIIXLHCUKQ-UHFFFAOYSA-N 1 1 275.352 3.094 20 30 CGEDMO Cc1cc(F)ncc1C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000897624446 620411965 /nfs/dbraw/zinc/41/19/65/620411965.db2.gz KLMLKIIXLHCUKQ-UHFFFAOYSA-N 1 1 275.352 3.094 20 30 CGEDMO N#Cc1csc(C[NH2+]Cc2cccc(C3CC3)c2)n1 ZINC000897630485 620414445 /nfs/dbraw/zinc/41/44/45/620414445.db2.gz ZRTTWFYWPIODFQ-UHFFFAOYSA-N 1 1 269.373 3.182 20 30 CGEDMO CC(C)(C#N)c1ccc(C[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000897629400 620414586 /nfs/dbraw/zinc/41/45/86/620414586.db2.gz JQBJEZKDEYJBQJ-UHFFFAOYSA-N 1 1 296.399 3.106 20 30 CGEDMO C=CC(C)(C)CNC(=O)[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000897898314 620445568 /nfs/dbraw/zinc/44/55/68/620445568.db2.gz FQSDYCOEGWQKBL-HOTGVXAUSA-N 1 1 286.419 3.008 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1ccccc1C(=O)N(C)C ZINC000898245008 620496609 /nfs/dbraw/zinc/49/66/09/620496609.db2.gz UKEHHCKDADMZQZ-UHFFFAOYSA-N 1 1 274.408 3.177 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1ccc(NC(C)=O)cc1 ZINC000898246519 620497103 /nfs/dbraw/zinc/49/71/03/620497103.db2.gz SLZPUDFPEDLPQS-UHFFFAOYSA-N 1 1 260.381 3.433 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)C[C@@H]3C=CCC3)CCC[C@H]12 ZINC000989943515 620534063 /nfs/dbraw/zinc/53/40/63/620534063.db2.gz XQZKZCBWOJNXIX-SOLBZPMBSA-N 1 1 288.435 3.032 20 30 CGEDMO N#Cc1cc(Cl)cc(Cn2cc[nH+]c2C2CC2)c1 ZINC000902612156 621385185 /nfs/dbraw/zinc/38/51/85/621385185.db2.gz GSLGXNCVZIGIRT-UHFFFAOYSA-N 1 1 257.724 3.334 20 30 CGEDMO CC[C@@H](NCC(C)(C)C[NH+](C)C)c1cccc(C#N)c1 ZINC000902720713 621409816 /nfs/dbraw/zinc/40/98/16/621409816.db2.gz NDCVOGRXYDZNDT-MRXNPFEDSA-N 1 1 273.424 3.187 20 30 CGEDMO CC[C@@H]([NH2+]CC(C)(C)CN(C)C)c1cccc(C#N)c1 ZINC000902720713 621409821 /nfs/dbraw/zinc/40/98/21/621409821.db2.gz NDCVOGRXYDZNDT-MRXNPFEDSA-N 1 1 273.424 3.187 20 30 CGEDMO CC[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cccc(C#N)c1 ZINC000902742161 621421951 /nfs/dbraw/zinc/42/19/51/621421951.db2.gz KZFIZTWRVZQUJA-MAUKXSAKSA-N 1 1 283.419 3.083 20 30 CGEDMO C=CCC[C@H]([NH2+]C[C@@H]1CCCN(C)C1)[C@@]1(C)CCCCO1 ZINC000902795679 621450992 /nfs/dbraw/zinc/45/09/92/621450992.db2.gz FONBANJQWHASIK-OKZBNKHCSA-N 1 1 294.483 3.212 20 30 CGEDMO C=CCC[C@H]([NH2+][C@@H](C)c1cn(C)nn1)c1ccccc1 ZINC000902881216 621483118 /nfs/dbraw/zinc/48/31/18/621483118.db2.gz GSUWLALQQNCASB-ZFWWWQNUSA-N 1 1 270.380 3.173 20 30 CGEDMO COCC[C@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1ccc(C)o1 ZINC000902943427 621496524 /nfs/dbraw/zinc/49/65/24/621496524.db2.gz ZOSRZEBIILFYPD-ZFWWWQNUSA-N 1 1 299.374 3.283 20 30 CGEDMO CC[C@@H]([NH2+]Cc1nccn1CC)c1cccc(C#N)c1 ZINC000903006680 621530757 /nfs/dbraw/zinc/53/07/57/621530757.db2.gz LZNIMOIIKVCPHO-OAHLLOKOSA-N 1 1 268.364 3.016 20 30 CGEDMO CC[C@H](NC[C@@H]1CCCC[N@H+](C)C1)c1cccc(C#N)c1 ZINC000903069454 621568156 /nfs/dbraw/zinc/56/81/56/621568156.db2.gz HDLUJGQSJYCCSS-WMZOPIPTSA-N 1 1 285.435 3.331 20 30 CGEDMO CC[C@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1cccc(C#N)c1 ZINC000903069454 621568164 /nfs/dbraw/zinc/56/81/64/621568164.db2.gz HDLUJGQSJYCCSS-WMZOPIPTSA-N 1 1 285.435 3.331 20 30 CGEDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(C)(C)C#N ZINC000903100246 621572932 /nfs/dbraw/zinc/57/29/32/621572932.db2.gz LEVYJCLIZJUSFX-NSHDSACASA-N 1 1 261.325 3.104 20 30 CGEDMO CC1(C)C[C@@H]([NH2+]CC2(C#N)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000903106779 621579540 /nfs/dbraw/zinc/57/95/40/621579540.db2.gz VDRABYZMEWZANI-CQSZACIVSA-N 1 1 285.347 3.211 20 30 CGEDMO N#CC1(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000903106569 621579683 /nfs/dbraw/zinc/57/96/83/621579683.db2.gz RMVKOJIFABDZHW-INIZCTEOSA-N 1 1 282.387 3.282 20 30 CGEDMO N#CC1(C[NH2+][C@@H](c2cncc(F)c2)C2CC2)CCCC1 ZINC000903109311 621583039 /nfs/dbraw/zinc/58/30/39/621583039.db2.gz NCOAEYAZJMZKGX-OAHLLOKOSA-N 1 1 273.355 3.345 20 30 CGEDMO C=CCC[C@H]([NH2+]Cc1cn(C)nn1)c1cccc(Cl)c1 ZINC000903148733 621611294 /nfs/dbraw/zinc/61/12/94/621611294.db2.gz VZBNTVCAOMQMMC-HNNXBMFYSA-N 1 1 290.798 3.266 20 30 CGEDMO C[C@@H]([NH2+][C@@H](c1ncccn1)C1CC1)c1ccc(C#N)cc1 ZINC000903324894 621678289 /nfs/dbraw/zinc/67/82/89/621678289.db2.gz FSHHQZVNYLTETG-MLGOLLRUSA-N 1 1 278.359 3.150 20 30 CGEDMO C[C@H](NCC[N@@H+]1CCC(C)(C)C1)c1ccc(C#N)c(F)c1 ZINC000903344997 621697921 /nfs/dbraw/zinc/69/79/21/621697921.db2.gz UBGXBYOYSNTHRZ-ZDUSSCGKSA-N 1 1 289.398 3.080 20 30 CGEDMO C[C@H](NCC[N@H+]1CCC(C)(C)C1)c1ccc(C#N)c(F)c1 ZINC000903344997 621697925 /nfs/dbraw/zinc/69/79/25/621697925.db2.gz UBGXBYOYSNTHRZ-ZDUSSCGKSA-N 1 1 289.398 3.080 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(-c2cccc(COC)c2)no1 ZINC000904564193 621938428 /nfs/dbraw/zinc/93/84/28/621938428.db2.gz OYWSRMCOPOJFLS-AWEZNQCLSA-N 1 1 287.363 3.239 20 30 CGEDMO C=CC[C@@H](Cc1ccccc1)n1cc(C[N@@H+](C)C(C)C)nn1 ZINC000905057257 622035117 /nfs/dbraw/zinc/03/51/17/622035117.db2.gz NUXNMGLPUIYFRA-SFHVURJKSA-N 1 1 298.434 3.478 20 30 CGEDMO C=CC[C@@H](Cc1ccccc1)n1cc(C[N@H+](C)C(C)C)nn1 ZINC000905057257 622035119 /nfs/dbraw/zinc/03/51/19/622035119.db2.gz NUXNMGLPUIYFRA-SFHVURJKSA-N 1 1 298.434 3.478 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H](C)Cc1ccccc1OC ZINC000174035617 623355047 /nfs/dbraw/zinc/35/50/47/623355047.db2.gz HBSSFTLXSKZJIP-GFCCVEGCSA-N 1 1 253.773 3.311 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H](C)Cc1ccccc1OC ZINC000174035617 623355051 /nfs/dbraw/zinc/35/50/51/623355051.db2.gz HBSSFTLXSKZJIP-GFCCVEGCSA-N 1 1 253.773 3.311 20 30 CGEDMO CCCCCCCC(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000174528307 623403789 /nfs/dbraw/zinc/40/37/89/623403789.db2.gz YAUMCNDEOFONGE-OAHLLOKOSA-N 1 1 268.445 3.147 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3CC)CCC[C@@H]12 ZINC000992243948 623487563 /nfs/dbraw/zinc/48/75/63/623487563.db2.gz XERCFWXQKMBHDQ-KONPQCLYSA-N 1 1 290.451 3.112 20 30 CGEDMO N#CCC[N@H+](CC1CC1)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000929775039 623626618 /nfs/dbraw/zinc/62/66/18/623626618.db2.gz HMHBIWPIPDTXMR-QWHCGFSZSA-N 1 1 290.329 3.112 20 30 CGEDMO N#CCC[N@@H+](CC1CC1)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000929775039 623626621 /nfs/dbraw/zinc/62/66/21/623626621.db2.gz HMHBIWPIPDTXMR-QWHCGFSZSA-N 1 1 290.329 3.112 20 30 CGEDMO C[C@H](C#N)C[N@H+](Cc1cc2c(cc1O)CCC2)C1CC1 ZINC000753978321 623745837 /nfs/dbraw/zinc/74/58/37/623745837.db2.gz XNLGBMMBSQQOAU-GFCCVEGCSA-N 1 1 270.376 3.005 20 30 CGEDMO C[C@H](C#N)C[N@@H+](Cc1cc2c(cc1O)CCC2)C1CC1 ZINC000753978321 623745843 /nfs/dbraw/zinc/74/58/43/623745843.db2.gz XNLGBMMBSQQOAU-GFCCVEGCSA-N 1 1 270.376 3.005 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2sccc2C)[C@@H]1C ZINC000992980019 623767809 /nfs/dbraw/zinc/76/78/09/623767809.db2.gz HSYCWWBYIPFMSS-UONOGXRCSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2cc(C)oc2C)[C@H]1C ZINC000993051280 623806021 /nfs/dbraw/zinc/80/60/21/623806021.db2.gz RWWQGHPBSWLZLN-CJNGLKHVSA-N 1 1 290.407 3.055 20 30 CGEDMO Cc1[nH+]c(C=NNc2ccc(C)cc2)c2ccccn12 ZINC000914601525 623834307 /nfs/dbraw/zinc/83/43/07/623834307.db2.gz VILMOFHHFJRFJX-UHFFFAOYSA-N 1 1 264.332 3.397 20 30 CGEDMO C[C@@H]1CC[C@@H](C)C(=[NH+]n2cc(Br)cn2)C1 ZINC000834966456 623839096 /nfs/dbraw/zinc/83/90/96/623839096.db2.gz OBGSVTHJWRXJHQ-RKDXNWHRSA-N 1 1 270.174 3.306 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C2=CCCC2)[C@@H]1C ZINC000993236567 623994626 /nfs/dbraw/zinc/99/46/26/623994626.db2.gz SLYJAXGCBFWNMA-HOCLYGCPSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)=C2CCC2)[C@@H]1C ZINC000993305420 624003846 /nfs/dbraw/zinc/00/38/46/624003846.db2.gz DPNNTPLKAZYVMF-GOEBONIOSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccsc2C)[C@@H]1C ZINC000993329637 624028155 /nfs/dbraw/zinc/02/81/55/624028155.db2.gz QUDZGHXOPYDMHD-WFASDCNBSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C23CCC(CC2)C3)[C@@H]1C ZINC000993480429 624052163 /nfs/dbraw/zinc/05/21/63/624052163.db2.gz DLWLDKSRBSMNLR-VUGNNNGISA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C2(C3CC3)CCC2)[C@@H]1C ZINC000993674547 624057732 /nfs/dbraw/zinc/05/77/32/624057732.db2.gz ZCRPVKODABYQFV-HOCLYGCPSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C2CC3(CCC3)C2)[C@H]1C ZINC000993698668 624058493 /nfs/dbraw/zinc/05/84/93/624058493.db2.gz AUDBZIJDLPRBPM-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C2(C)CCCCC2)[C@H]1C ZINC000993742452 624060422 /nfs/dbraw/zinc/06/04/22/624060422.db2.gz MXNCUQLVMZMPCS-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)CC2CC(C)(C)C2)[C@H]1C ZINC000993747578 624060456 /nfs/dbraw/zinc/06/04/56/624060456.db2.gz RQWNRKJOEWPYAO-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)CC2CC(C)(C)C2)[C@H]1C ZINC000993747601 624060722 /nfs/dbraw/zinc/06/07/22/624060722.db2.gz RQWNRKJOEWPYAO-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC(=C)C)[C@@H]2C)cc1 ZINC000993830331 624063761 /nfs/dbraw/zinc/06/37/61/624063761.db2.gz XRDLNPHHYMFQGW-CRAIPNDOSA-N 1 1 298.430 3.488 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](CC3CCC3)[C@@H]2C)C1 ZINC000993786591 624064091 /nfs/dbraw/zinc/06/40/91/624064091.db2.gz GOZBBRONCDHLMV-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO Cc1ccc(C)c(N[NH+]=Cc2ccc(N(C)CCO)cc2)c1 ZINC000916345848 624148239 /nfs/dbraw/zinc/14/82/39/624148239.db2.gz PDILJFJDNYFCFB-UHFFFAOYSA-N 1 1 297.402 3.178 20 30 CGEDMO C=CC[N@H+](Cc1nc(-c2cccc(C)c2)no1)C(C)C ZINC000917069336 624233174 /nfs/dbraw/zinc/23/31/74/624233174.db2.gz NRQBQZWFHJNTKR-UHFFFAOYSA-N 1 1 271.364 3.441 20 30 CGEDMO C=CC[N@@H+](Cc1nc(-c2cccc(C)c2)no1)C(C)C ZINC000917069336 624233175 /nfs/dbraw/zinc/23/31/75/624233175.db2.gz NRQBQZWFHJNTKR-UHFFFAOYSA-N 1 1 271.364 3.441 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C3CC3)c2)[C@@H]1C ZINC000994499087 624243773 /nfs/dbraw/zinc/24/37/73/624243773.db2.gz WADDEYOZQCPJFK-KBXCAEBGSA-N 1 1 298.430 3.333 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1ccccc1Cl)C(C)C ZINC000917166695 624249066 /nfs/dbraw/zinc/24/90/66/624249066.db2.gz AIYPVXBFBJQDIO-UHFFFAOYSA-N 1 1 266.772 3.175 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1ccccc1Cl)C(C)C ZINC000917166695 624249071 /nfs/dbraw/zinc/24/90/71/624249071.db2.gz AIYPVXBFBJQDIO-UHFFFAOYSA-N 1 1 266.772 3.175 20 30 CGEDMO C=CC[N@@H+](Cn1cnc2cc(F)c(F)cc21)C(C)C ZINC000917481751 624273675 /nfs/dbraw/zinc/27/36/75/624273675.db2.gz YFXRKNZRAJCPNB-UHFFFAOYSA-N 1 1 265.307 3.168 20 30 CGEDMO C[C@H](C#N)C[N@H+](C[C@H]1CCC[C@H](C(F)(F)F)O1)C1CC1 ZINC000930088179 624414540 /nfs/dbraw/zinc/41/45/40/624414540.db2.gz ZBWQTAFAKJWNOI-RAIGVLPGSA-N 1 1 290.329 3.110 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C[C@H]1CCC[C@H](C(F)(F)F)O1)C1CC1 ZINC000930088179 624414541 /nfs/dbraw/zinc/41/45/41/624414541.db2.gz ZBWQTAFAKJWNOI-RAIGVLPGSA-N 1 1 290.329 3.110 20 30 CGEDMO CC[N@@H+](CCc1ccccn1)Cc1cc(C#N)ccc1F ZINC000920256856 624464179 /nfs/dbraw/zinc/46/41/79/624464179.db2.gz ZXDCZEGHDYVAOJ-UHFFFAOYSA-N 1 1 283.350 3.157 20 30 CGEDMO CC(C)(CC#N)C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000839164046 626330693 /nfs/dbraw/zinc/33/06/93/626330693.db2.gz WPRNHQBKPOSLIG-UHFFFAOYSA-N 1 1 270.735 3.214 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](N(CC)C(=O)C2CC2)CC1 ZINC000997892369 625761043 /nfs/dbraw/zinc/76/10/43/625761043.db2.gz BOYUNEQMIUZEEA-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001016083694 625785164 /nfs/dbraw/zinc/78/51/64/625785164.db2.gz UNVXHBPODHJRCL-KRWDZBQOSA-N 1 1 286.419 3.190 20 30 CGEDMO C=CCCC[C@@H](NC(=O)Cn1cc[nH+]c1C)c1ccccc1 ZINC000921646915 625801079 /nfs/dbraw/zinc/80/10/79/625801079.db2.gz YBKCSEAXUHYBHC-QGZVFWFLSA-N 1 1 297.402 3.405 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)C2CC(C)(C)C2)CC1 ZINC001000655969 625878812 /nfs/dbraw/zinc/87/88/12/625878812.db2.gz ZMKZOQAVOBRLNS-UHFFFAOYSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@]2(C)CC)CC1 ZINC001001322842 625894424 /nfs/dbraw/zinc/89/44/24/625894424.db2.gz ACFUUQDDUBTBFG-WMZOPIPTSA-N 1 1 290.451 3.137 20 30 CGEDMO N#Cc1cc(C[NH2+][C@@H]2CCOc3c(F)cccc32)cs1 ZINC000922036964 625964036 /nfs/dbraw/zinc/96/40/36/625964036.db2.gz VPSGHDDXVNIWPK-CQSZACIVSA-N 1 1 288.347 3.372 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)C2(C)CCCCC2)CC1 ZINC001003549054 625983049 /nfs/dbraw/zinc/98/30/49/625983049.db2.gz YENFDUALLLWMQP-UHFFFAOYSA-N 1 1 298.858 3.290 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000922237664 625988669 /nfs/dbraw/zinc/98/86/69/625988669.db2.gz MIOQQPDXACAJGP-MRXNPFEDSA-N 1 1 285.435 3.138 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000922237664 625988670 /nfs/dbraw/zinc/98/86/70/625988670.db2.gz MIOQQPDXACAJGP-MRXNPFEDSA-N 1 1 285.435 3.138 20 30 CGEDMO C=C1CCC(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000922709624 626035508 /nfs/dbraw/zinc/03/55/08/626035508.db2.gz CLFSIOJOJJYMQP-HNNXBMFYSA-N 1 1 250.430 3.195 20 30 CGEDMO C=C1CCC(C[NH2+][C@H]2CCN(C)C(C)(C)C2)CC1 ZINC000922709624 626035509 /nfs/dbraw/zinc/03/55/09/626035509.db2.gz CLFSIOJOJJYMQP-HNNXBMFYSA-N 1 1 250.430 3.195 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C)CC)CC1 ZINC001004334675 626040194 /nfs/dbraw/zinc/04/01/94/626040194.db2.gz AKCBXEOZYKRBLY-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C)CC)CC1 ZINC001004334673 626040443 /nfs/dbraw/zinc/04/04/43/626040443.db2.gz AKCBXEOZYKRBLY-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2(C)CC2)CC1 ZINC001004443635 626057559 /nfs/dbraw/zinc/05/75/59/626057559.db2.gz SQYXOLWQRASFFU-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](F)CC)CC1 ZINC001004502985 626064380 /nfs/dbraw/zinc/06/43/80/626064380.db2.gz WFTINWPIHNNMTG-JKSUJKDBSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)C2(C)CCCC2)CC1 ZINC001005790916 626096336 /nfs/dbraw/zinc/09/63/36/626096336.db2.gz BRLDQRXBCVEXJF-UHFFFAOYSA-N 1 1 298.858 3.242 20 30 CGEDMO C=CCCC[C@@H](C)[N@@H+](C)CCNC(=O)OC(C)(C)C ZINC000839136674 626322436 /nfs/dbraw/zinc/32/24/36/626322436.db2.gz WTTWFIOCVYCPKP-CYBMUJFWSA-N 1 1 270.417 3.188 20 30 CGEDMO C=CCc1cc(OCC)cc(C[N@H+](C)[C@@H](C)CC#N)c1O ZINC000103460448 626348742 /nfs/dbraw/zinc/34/87/42/626348742.db2.gz ILQDUFLLYWWHNW-ZDUSSCGKSA-N 1 1 288.391 3.253 20 30 CGEDMO C=CCc1cc(OCC)cc(C[N@@H+](C)[C@@H](C)CC#N)c1O ZINC000103460448 626348745 /nfs/dbraw/zinc/34/87/45/626348745.db2.gz ILQDUFLLYWWHNW-ZDUSSCGKSA-N 1 1 288.391 3.253 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCCCCCO ZINC000752076168 626417535 /nfs/dbraw/zinc/41/75/35/626417535.db2.gz PIFMZKGSAKYIAI-QZTJIDSGSA-N 1 1 286.419 3.311 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCCCCCO ZINC000752076169 626417698 /nfs/dbraw/zinc/41/76/98/626417698.db2.gz PIFMZKGSAKYIAI-ROUUACIJSA-N 1 1 286.419 3.311 20 30 CGEDMO C#CCC[N@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000752857819 626440864 /nfs/dbraw/zinc/44/08/64/626440864.db2.gz UZVCPSDJQIPGOY-AWEZNQCLSA-N 1 1 265.809 3.453 20 30 CGEDMO C#CCC[N@@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000752857819 626440865 /nfs/dbraw/zinc/44/08/65/626440865.db2.gz UZVCPSDJQIPGOY-AWEZNQCLSA-N 1 1 265.809 3.453 20 30 CGEDMO CCCCCCCCNC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000754864696 626591101 /nfs/dbraw/zinc/59/11/01/626591101.db2.gz KUADDCKAYMLKCF-CVEARBPZSA-N 1 1 295.471 3.273 20 30 CGEDMO CC[NH+](CC)[C@H](C(=O)OCC(C)(C)C#N)c1ccccc1 ZINC000755889966 626656511 /nfs/dbraw/zinc/65/65/11/626656511.db2.gz LXRYEDQOPZNRES-HNNXBMFYSA-N 1 1 288.391 3.162 20 30 CGEDMO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1cc(F)cc(F)c1O ZINC000756392967 626700745 /nfs/dbraw/zinc/70/07/45/626700745.db2.gz LMCOYTGSMUXJDZ-SNVBAGLBSA-N 1 1 288.297 3.393 20 30 CGEDMO C#CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000756710212 626726957 /nfs/dbraw/zinc/72/69/57/626726957.db2.gz VCPDHSCUOUPYIV-ZDUSSCGKSA-N 1 1 299.345 3.394 20 30 CGEDMO COc1ccc(O)c(/C=N\[C@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000756841459 626736569 /nfs/dbraw/zinc/73/65/69/626736569.db2.gz VCFVNNORHHQLLT-KCBNLNMNSA-N 1 1 296.370 3.006 20 30 CGEDMO C=C(Cl)C[N@H+](Cc1ccccc1)[C@@H](CC)CO ZINC000839552397 626759271 /nfs/dbraw/zinc/75/92/71/626759271.db2.gz JZTTXIQQEIEPAI-AWEZNQCLSA-N 1 1 253.773 3.012 20 30 CGEDMO C=C(Cl)C[N@@H+](Cc1ccccc1)[C@@H](CC)CO ZINC000839552397 626759275 /nfs/dbraw/zinc/75/92/75/626759275.db2.gz JZTTXIQQEIEPAI-AWEZNQCLSA-N 1 1 253.773 3.012 20 30 CGEDMO C#C[C@H]([NH2+]Cc1ncc(C(C)(C)C)s1)C(C)C ZINC000809685496 626767320 /nfs/dbraw/zinc/76/73/20/626767320.db2.gz WJEYKHODDVTBEP-NSHDSACASA-N 1 1 250.411 3.188 20 30 CGEDMO COc1cccc(N[NH+]=C(C)c2ccc(N)cc2C)c1 ZINC000758100761 626827091 /nfs/dbraw/zinc/82/70/91/626827091.db2.gz YPUPJJRDQZVNAF-UHFFFAOYSA-N 1 1 269.348 3.422 20 30 CGEDMO c1ccc(C[N@H+]2C[C@H]3CCCC(=NNC4CC4)[C@@H]3C2)cc1 ZINC000758127083 626828947 /nfs/dbraw/zinc/82/89/47/626828947.db2.gz KODLTKKBZGBEGN-NVXWUHKLSA-N 1 1 283.419 3.027 20 30 CGEDMO C#CCCCC(=O)O[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000759632118 626910675 /nfs/dbraw/zinc/91/06/75/626910675.db2.gz RBOXBYCFPHAHCZ-SJLPKXTDSA-N 1 1 299.414 3.244 20 30 CGEDMO C=CCCCCCCNC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000805191160 626930041 /nfs/dbraw/zinc/93/00/41/626930041.db2.gz SLMRDXNUPNXYDO-LSDHHAIUSA-N 1 1 293.455 3.047 20 30 CGEDMO C#CCC[N@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000760821155 626994093 /nfs/dbraw/zinc/99/40/93/626994093.db2.gz PDYAAPUYOZPUDM-IAGOWNOFSA-N 1 1 257.377 3.109 20 30 CGEDMO CCCCCCC[N@@H+]1CCn2c(nnc2C(F)F)C1 ZINC000761108942 627017442 /nfs/dbraw/zinc/01/74/42/627017442.db2.gz GKVFVOLKJYDXBR-UHFFFAOYSA-N 1 1 272.343 3.002 20 30 CGEDMO CCCCCCC[N@H+]1CCn2c(nnc2C(F)F)C1 ZINC000761108942 627017443 /nfs/dbraw/zinc/01/74/43/627017443.db2.gz GKVFVOLKJYDXBR-UHFFFAOYSA-N 1 1 272.343 3.002 20 30 CGEDMO CC[C@H](C)[C@H]1CCCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000763242118 627146372 /nfs/dbraw/zinc/14/63/72/627146372.db2.gz RYUIZFVIHFQXLQ-QGTPRVQTSA-N 1 1 286.419 3.492 20 30 CGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CC[C@H]2c2ccccc2)cc1 ZINC000763414648 627157355 /nfs/dbraw/zinc/15/73/55/627157355.db2.gz XQLMZOWJJWDHQS-ROUUACIJSA-N 1 1 278.355 3.039 20 30 CGEDMO C#CCOc1ccc([C@H](C)[NH2+]Cc2ccn(C(C)C)n2)cc1 ZINC000766094073 627294564 /nfs/dbraw/zinc/29/45/64/627294564.db2.gz NAJCFZFSXRBVGI-HNNXBMFYSA-N 1 1 297.402 3.327 20 30 CGEDMO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccn(C(C)C)n2)cc1 ZINC000766094075 627294984 /nfs/dbraw/zinc/29/49/84/627294984.db2.gz NAJCFZFSXRBVGI-OAHLLOKOSA-N 1 1 297.402 3.327 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000766666424 627351661 /nfs/dbraw/zinc/35/16/61/627351661.db2.gz UHPICKBWLVTAFL-LBPRGKRZSA-N 1 1 275.392 3.152 20 30 CGEDMO C#CCCC[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000766895625 627367512 /nfs/dbraw/zinc/36/75/12/627367512.db2.gz NUSYQRCLTFRDJB-KRWDZBQOSA-N 1 1 275.367 3.220 20 30 CGEDMO C#CCCC[N@H+](C)CCc1ccc(Br)cc1 ZINC000766901517 627368459 /nfs/dbraw/zinc/36/84/59/627368459.db2.gz ZJPAISKRYDTKIP-UHFFFAOYSA-N 1 1 280.209 3.337 20 30 CGEDMO C#CCCC[N@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000766896633 627368664 /nfs/dbraw/zinc/36/86/64/627368664.db2.gz VXJGMOWPJLEUNR-QZTJIDSGSA-N 1 1 271.404 3.500 20 30 CGEDMO C#CCCC[N@@H+](C)Cc1csc([C@H](C)OCC)n1 ZINC000766904108 627369095 /nfs/dbraw/zinc/36/90/95/627369095.db2.gz WONLTDQNFQGVJG-LBPRGKRZSA-N 1 1 266.410 3.086 20 30 CGEDMO C#CCCC[N@H+](C)Cc1csc([C@H](C)OCC)n1 ZINC000766904108 627369098 /nfs/dbraw/zinc/36/90/98/627369098.db2.gz WONLTDQNFQGVJG-LBPRGKRZSA-N 1 1 266.410 3.086 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@@H](C)[C@H]1CNC(=O)OC(C)(C)C ZINC000766904113 627369665 /nfs/dbraw/zinc/36/96/65/627369665.db2.gz WPWDAKPOGRMCJU-HUUCEWRRSA-N 1 1 294.439 3.025 20 30 CGEDMO C#CCCC[N@@H+]([C@H](Cc1ccccc1)C(=O)OCC)C1CC1 ZINC000766915713 627370384 /nfs/dbraw/zinc/37/03/84/627370384.db2.gz HKUVVGLJVSEYFO-GOSISDBHSA-N 1 1 299.414 3.039 20 30 CGEDMO C#CCCC[N@H+]([C@H](Cc1ccccc1)C(=O)OCC)C1CC1 ZINC000766915713 627370390 /nfs/dbraw/zinc/37/03/90/627370390.db2.gz HKUVVGLJVSEYFO-GOSISDBHSA-N 1 1 299.414 3.039 20 30 CGEDMO C#CCCC[NH2+]C1(C(=O)OC(C)(C)C)CCCCC1 ZINC000766936574 627371665 /nfs/dbraw/zinc/37/16/65/627371665.db2.gz IJPXSPPIVJRJNF-UHFFFAOYSA-N 1 1 265.397 3.034 20 30 CGEDMO CC[N@@H+](CCC(=O)C1CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000767363936 627401493 /nfs/dbraw/zinc/40/14/93/627401493.db2.gz MEKMLYMLNWFQOQ-ZDUSSCGKSA-N 1 1 270.376 3.310 20 30 CGEDMO C=CC[N@H+](Cc1nc(-c2ccc(F)c(F)c2)no1)C(C)C ZINC000767889184 627441640 /nfs/dbraw/zinc/44/16/40/627441640.db2.gz HOLRUMUKQIABLS-UHFFFAOYSA-N 1 1 293.317 3.411 20 30 CGEDMO C=CC[N@@H+](Cc1nc(-c2ccc(F)c(F)c2)no1)C(C)C ZINC000767889184 627441643 /nfs/dbraw/zinc/44/16/43/627441643.db2.gz HOLRUMUKQIABLS-UHFFFAOYSA-N 1 1 293.317 3.411 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)OC[C@@H]1CCC[N@H+]1Cc1ccco1 ZINC000768003066 627449134 /nfs/dbraw/zinc/44/91/34/627449134.db2.gz NARYZVUDKUYPLK-CABCVRRESA-N 1 1 291.391 3.390 20 30 CGEDMO C[C@@H]1CCC[C@@H](C=[NH+]n2cc(Br)cn2)C1 ZINC000768367400 627476490 /nfs/dbraw/zinc/47/64/90/627476490.db2.gz QAFDQFIGFMOWGB-NXEZZACHSA-N 1 1 270.174 3.306 20 30 CGEDMO C#CCOc1ccc(C[N@H+](CC2CC2)C(C)C)cc1 ZINC000768676432 627492476 /nfs/dbraw/zinc/49/24/76/627492476.db2.gz YOTPGVAAKSSJNK-UHFFFAOYSA-N 1 1 257.377 3.319 20 30 CGEDMO C#CC[N@H+](Cc1nn(C)c2ccccc12)C1CCCCC1 ZINC000769145166 627526116 /nfs/dbraw/zinc/52/61/16/627526116.db2.gz DBXTVAKIMICRII-UHFFFAOYSA-N 1 1 281.403 3.341 20 30 CGEDMO C#CCOc1ccccc1C[N@H+](C)Cc1occc1C ZINC000769353984 627544613 /nfs/dbraw/zinc/54/46/13/627544613.db2.gz YACWKPJKDAWAFU-UHFFFAOYSA-N 1 1 269.344 3.232 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+](C)Cc1occc1C ZINC000769353984 627544615 /nfs/dbraw/zinc/54/46/15/627544615.db2.gz YACWKPJKDAWAFU-UHFFFAOYSA-N 1 1 269.344 3.232 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CC[C@H](c3ccco3)C2)cc1 ZINC000769387911 627547997 /nfs/dbraw/zinc/54/79/97/627547997.db2.gz CQZWQJRBPMTGBQ-INIZCTEOSA-N 1 1 281.355 3.281 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCS[C@@H](C)[C@H]2C)cc1 ZINC000769447832 627553357 /nfs/dbraw/zinc/55/33/57/627553357.db2.gz YBQHPDRRSAGJPY-KGLIPLIRSA-N 1 1 275.417 3.024 20 30 CGEDMO CC[N@@H+](Cc1ccc(N(C)CCC#N)cc1)C1CCC1 ZINC000769466175 627556641 /nfs/dbraw/zinc/55/66/41/627556641.db2.gz IKFCILXJWNDRJV-UHFFFAOYSA-N 1 1 271.408 3.411 20 30 CGEDMO CO[C@H](C)C[N@@H+](Cc1ccc(O[C@@H](C)C#N)cc1)C(C)C ZINC000769473963 627557897 /nfs/dbraw/zinc/55/78/97/627557897.db2.gz QOTBAARDQBKZHE-LSDHHAIUSA-N 1 1 290.407 3.223 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CC=C(C(F)(F)F)CC2)cc1 ZINC000769486076 627558945 /nfs/dbraw/zinc/55/89/45/627558945.db2.gz RMRMCGHTJGOLTO-UHFFFAOYSA-N 1 1 295.304 3.393 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CC=C(C(F)(F)F)CC2)cc1 ZINC000769486076 627558948 /nfs/dbraw/zinc/55/89/48/627558948.db2.gz RMRMCGHTJGOLTO-UHFFFAOYSA-N 1 1 295.304 3.393 20 30 CGEDMO C#Cc1cccc(NC(=O)CC[N@H+](C)C2CCCCC2)c1 ZINC000769677066 627572343 /nfs/dbraw/zinc/57/23/43/627572343.db2.gz KRLBSYAGLKPBGF-UHFFFAOYSA-N 1 1 284.403 3.261 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)CCCc1ccccc1Br ZINC000769960452 627593191 /nfs/dbraw/zinc/59/31/91/627593191.db2.gz BVUGHAFAJZLDRU-LBPRGKRZSA-N 1 1 280.209 3.335 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)CCSc1ccc(Cl)cc1 ZINC000769978385 627594333 /nfs/dbraw/zinc/59/43/33/627594333.db2.gz XRIQIFQFFLPHSC-NSHDSACASA-N 1 1 253.798 3.386 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)CCOc1ccccc1C(F)(F)F ZINC000769977262 627594425 /nfs/dbraw/zinc/59/44/25/627594425.db2.gz CLTJYVKQRRIMGE-LLVKDONJSA-N 1 1 271.282 3.038 20 30 CGEDMO C#CCOc1ccccc1C[N@H+](C)[C@H](C)C1(C)CC1 ZINC000770288215 627611579 /nfs/dbraw/zinc/61/15/79/627611579.db2.gz HFFVAFRKUBVKKI-CQSZACIVSA-N 1 1 257.377 3.319 20 30 CGEDMO C#CCCOc1ccc(C[N@H+](C)Cc2cccc(O)c2)cc1 ZINC000771935093 627746614 /nfs/dbraw/zinc/74/66/14/627746614.db2.gz LDQZWJXOUGRHQC-UHFFFAOYSA-N 1 1 295.382 3.426 20 30 CGEDMO C=C(CC)C[N@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000773426209 627882263 /nfs/dbraw/zinc/88/22/63/627882263.db2.gz MTDMUSKEIRUOHP-UHFFFAOYSA-N 1 1 288.391 3.159 20 30 CGEDMO C#C[C@H]([NH2+]Cc1cccc(Cl)c1Cl)[C@@H]1CCCO1 ZINC000775341900 628084555 /nfs/dbraw/zinc/08/45/55/628084555.db2.gz OGIRBIKIBRTWPY-STQMWFEESA-N 1 1 284.186 3.264 20 30 CGEDMO C#CC[C@H]([NH2+]Cc1cn2c(cccc2C)n1)c1ccccc1 ZINC000775400000 628091072 /nfs/dbraw/zinc/09/10/72/628091072.db2.gz WKLORVASEMJYTG-SFHVURJKSA-N 1 1 289.382 3.497 20 30 CGEDMO C#C[C@H]([NH2+][C@@H](C)c1ccc2ccccc2n1)[C@H]1CCCO1 ZINC000775573101 628109558 /nfs/dbraw/zinc/10/95/58/628109558.db2.gz GELXKDGNDJTTML-DHSIGJKJSA-N 1 1 280.371 3.066 20 30 CGEDMO C#CCCC[N@H+]1[C@H](C(=O)OC(C)(C)C)C[C@H]2CCCC[C@@H]21 ZINC000775839264 628141153 /nfs/dbraw/zinc/14/11/53/628141153.db2.gz VIWOKJKXFFHUFC-PMPSAXMXSA-N 1 1 291.435 3.375 20 30 CGEDMO C[C@@H]1CC[N@@H+](CCCOc2ccc(C#N)cc2)C[C@@H]1F ZINC000778232239 628336266 /nfs/dbraw/zinc/33/62/66/628336266.db2.gz FHYRJGIDSUGOGC-CJNGLKHVSA-N 1 1 276.355 3.007 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)C[C@@H](O)c1cccc(F)c1 ZINC000778996424 628382174 /nfs/dbraw/zinc/38/21/74/628382174.db2.gz OMFMAXXLDWYYOC-QGZVFWFLSA-N 1 1 289.350 3.183 20 30 CGEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)CN=Nc1ccncc1 ZINC000779809061 628433497 /nfs/dbraw/zinc/43/34/97/628433497.db2.gz DNGXZVNWIRRGFR-UHFFFAOYSA-N 1 1 296.418 3.059 20 30 CGEDMO CC(=[NH+]Nc1ccc2n[nH]cc2c1)c1ccc(N(C)C)cc1 ZINC000779817260 628435157 /nfs/dbraw/zinc/43/51/57/628435157.db2.gz DODQWHVAWFZEIL-UHFFFAOYSA-N 1 1 293.374 3.465 20 30 CGEDMO C#CCCCCCC(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000779915818 628441796 /nfs/dbraw/zinc/44/17/96/628441796.db2.gz KVGZEUDRMJWTKS-UHFFFAOYSA-N 1 1 284.403 3.049 20 30 CGEDMO C#CCCCCCC(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000779915818 628441799 /nfs/dbraw/zinc/44/17/99/628441799.db2.gz KVGZEUDRMJWTKS-UHFFFAOYSA-N 1 1 284.403 3.049 20 30 CGEDMO C=CC[N@H+](CCC(C)(C)CC(=O)OCC)C(C)C ZINC000805734121 628664121 /nfs/dbraw/zinc/66/41/21/628664121.db2.gz XXGQQIOYJKKWQO-UHFFFAOYSA-N 1 1 255.402 3.252 20 30 CGEDMO C=CC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000783666141 628737098 /nfs/dbraw/zinc/73/70/98/628737098.db2.gz KGJZVQULQDUAAU-UHFFFAOYSA-N 1 1 266.728 3.399 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000784522930 628819227 /nfs/dbraw/zinc/81/92/27/628819227.db2.gz JJPVLPODXLFSGU-RRFJBIMHSA-N 1 1 294.439 3.188 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cccc2nsnc21 ZINC000785997323 628906402 /nfs/dbraw/zinc/90/64/02/628906402.db2.gz LGJMZCHFSDAPTN-GFCCVEGCSA-N 1 1 259.378 3.232 20 30 CGEDMO N#Cc1ccc(COC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)cc1 ZINC000786884706 628969139 /nfs/dbraw/zinc/96/91/39/628969139.db2.gz RFQOKVRSBUGJMT-KRWDZBQOSA-N 1 1 298.386 3.008 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H](CCNC(C)=O)C1 ZINC000805822213 628971080 /nfs/dbraw/zinc/97/10/80/628971080.db2.gz KHGJVLCDGSBFPW-INIZCTEOSA-N 1 1 268.445 3.195 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)Cc2ccc3c(c2)OCO3)cc1 ZINC000787769381 629028693 /nfs/dbraw/zinc/02/86/93/629028693.db2.gz FFSMQQLWPXFJGC-UHFFFAOYSA-N 1 1 279.339 3.029 20 30 CGEDMO COc1cc(N=NC2CCC[N@@H+](C)CC2)ccc1Cl ZINC000788471903 629056585 /nfs/dbraw/zinc/05/65/85/629056585.db2.gz JOXRJJZFGQEPNV-UHFFFAOYSA-N 1 1 281.787 3.232 20 30 CGEDMO CC(C)N(C)c1ccc(C=[NH+]Nc2ccccc2)cn1 ZINC000790136653 629185700 /nfs/dbraw/zinc/18/57/00/629185700.db2.gz QDNMICNAIMCSEC-UHFFFAOYSA-N 1 1 268.364 3.372 20 30 CGEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2[C@@H](C)C[C@@H]2C)cc1 ZINC000791575266 629290259 /nfs/dbraw/zinc/29/02/59/629290259.db2.gz CCLURAKDCDCWOP-JYJNAYRXSA-N 1 1 299.418 3.113 20 30 CGEDMO CCCCCCCNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000875764910 634729905 /nfs/dbraw/zinc/72/99/05/634729905.db2.gz VMSLSXHIRIPZJG-HOTGVXAUSA-N 1 1 295.471 3.083 20 30 CGEDMO CCCCCCCNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000875765289 634730001 /nfs/dbraw/zinc/73/00/01/634730001.db2.gz KHRYBUKAGRCHFL-GJZGRUSLSA-N 1 1 283.460 3.081 20 30 CGEDMO CCCCCCCNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC000862354708 629346971 /nfs/dbraw/zinc/34/69/71/629346971.db2.gz FFJABDMNSCJSBH-CQSZACIVSA-N 1 1 279.428 3.483 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000862399777 629363882 /nfs/dbraw/zinc/36/38/82/629363882.db2.gz BZJNIDPEBIVRGT-CQSZACIVSA-N 1 1 252.361 3.403 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000862440004 629373307 /nfs/dbraw/zinc/37/33/07/629373307.db2.gz DDGYIWPFNLCEMP-ZDUSSCGKSA-N 1 1 282.428 3.188 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cccc(OC)c2OC(C)C)C1 ZINC000862443231 629375584 /nfs/dbraw/zinc/37/55/84/629375584.db2.gz MLQKIELTVBOXKL-HNNXBMFYSA-N 1 1 287.403 3.328 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000862443511 629376451 /nfs/dbraw/zinc/37/64/51/629376451.db2.gz QCUIJNNQWYQNPE-VQIMIIECSA-N 1 1 299.414 3.090 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2conc2Cc2ccccc2)C1 ZINC000862448052 629381190 /nfs/dbraw/zinc/38/11/90/629381190.db2.gz WDCJFBBXICBWGK-INIZCTEOSA-N 1 1 280.371 3.111 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(OCC)c(F)c2)C1 ZINC000862447923 629381747 /nfs/dbraw/zinc/38/17/47/629381747.db2.gz SPJYODGDCOYLRI-CYBMUJFWSA-N 1 1 261.340 3.070 20 30 CGEDMO C=CCCCCC[C@@H](C)[NH2+][C@H]1CCc2cn[nH]c2C1 ZINC000793532526 629477431 /nfs/dbraw/zinc/47/74/31/629477431.db2.gz MJCIGQVTTJHBBL-HIFRSBDPSA-N 1 1 261.413 3.382 20 30 CGEDMO Cc1ccc(CO[NH+]=C(N)C2CCCC2)cc1C#N ZINC000863453450 629575288 /nfs/dbraw/zinc/57/52/88/629575288.db2.gz JQJNHJMKLBNJMR-UHFFFAOYSA-N 1 1 257.337 3.055 20 30 CGEDMO Cc1cc(C#N)ccc1CO[NH+]=C(N)CCC(F)(F)F ZINC000863490672 629589013 /nfs/dbraw/zinc/58/90/13/629589013.db2.gz PXNUVDPOGNQFDF-UHFFFAOYSA-N 1 1 285.269 3.208 20 30 CGEDMO C[C@@H]1CC(N=Nc2cccc(F)n2)C[N@H+]1Cc1ccccc1 ZINC000795008527 629621786 /nfs/dbraw/zinc/62/17/86/629621786.db2.gz KEAQKTTZJWZCIA-CYBMUJFWSA-N 1 1 298.365 3.283 20 30 CGEDMO C=C(Br)C[NH2+]C(C)(C)c1ccccc1OC ZINC000119572483 629639551 /nfs/dbraw/zinc/63/95/51/629639551.db2.gz UHNRALDEMOEVKB-UHFFFAOYSA-N 1 1 284.197 3.429 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1C[C@H](C)CC[C@@H]1c1ccccc1 ZINC000796436874 629781290 /nfs/dbraw/zinc/78/12/90/629781290.db2.gz ZEDIZKMDVCTCIC-BFYDXBDKSA-N 1 1 272.392 3.388 20 30 CGEDMO C=C(C)C[N@@H+](CCC(=O)C1CC1)Cc1cnn(C(C)C)c1 ZINC000796453114 629782738 /nfs/dbraw/zinc/78/27/38/629782738.db2.gz DJDASCBSQMHCEF-UHFFFAOYSA-N 1 1 289.423 3.211 20 30 CGEDMO C=C(C)C[N@H+](CCC(=O)C1CC1)Cc1cnn(C(C)C)c1 ZINC000796453114 629782742 /nfs/dbraw/zinc/78/27/42/629782742.db2.gz DJDASCBSQMHCEF-UHFFFAOYSA-N 1 1 289.423 3.211 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)C[C@H](O)CCc1ccccc1 ZINC000796630996 629807440 /nfs/dbraw/zinc/80/74/40/629807440.db2.gz BVMZWRKFBIGANL-HXUWFJFHSA-N 1 1 293.410 3.116 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000796631672 629807712 /nfs/dbraw/zinc/80/77/12/629807712.db2.gz GHZDDHFNTHTDGJ-UHFFFAOYSA-N 1 1 278.330 3.333 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000796631672 629807715 /nfs/dbraw/zinc/80/77/15/629807715.db2.gz GHZDDHFNTHTDGJ-UHFFFAOYSA-N 1 1 278.330 3.333 20 30 CGEDMO C#CC[N@H+](Cc1cc(C)nc(Cl)c1)C1CCCC1 ZINC000797591836 629966271 /nfs/dbraw/zinc/96/62/71/629966271.db2.gz HNBVLTGLOAMQLJ-UHFFFAOYSA-N 1 1 262.784 3.421 20 30 CGEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)Cc1ccccc1O ZINC000120488156 630061062 /nfs/dbraw/zinc/06/10/62/630061062.db2.gz ATKRSDBZEAPUNC-UHFFFAOYSA-N 1 1 270.307 3.035 20 30 CGEDMO Cc1cn(Cc2cc(Cl)ccc2OCC#N)c(C)[nH+]1 ZINC000865361713 630074665 /nfs/dbraw/zinc/07/46/65/630074665.db2.gz WDYKHFYNAMGAGB-UHFFFAOYSA-N 1 1 275.739 3.104 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CC[C@H](c3ccccn3)C2)cc1 ZINC000798963456 630129570 /nfs/dbraw/zinc/12/95/70/630129570.db2.gz CBSRAKNRYCJZST-KRWDZBQOSA-N 1 1 292.382 3.083 20 30 CGEDMO O=C1C=C([NH2+]Nc2cccc3ccccc32)[C@@H]2CCCN12 ZINC000799479317 630187816 /nfs/dbraw/zinc/18/78/16/630187816.db2.gz NDYPLFRQSNIWOK-INIZCTEOSA-N 1 1 279.343 3.002 20 30 CGEDMO Cc1cccc([C@@H]2CCC[N@@H+]2CCO[C@@H](C)C#N)c1 ZINC000801912838 630365167 /nfs/dbraw/zinc/36/51/67/630365167.db2.gz GABUITBKLIOSME-HOCLYGCPSA-N 1 1 258.365 3.061 20 30 CGEDMO Cc1ccc([C@H]2CCC[N@@H+]2CCO[C@@H](C)C#N)cc1C ZINC000801915706 630366067 /nfs/dbraw/zinc/36/60/67/630366067.db2.gz MKGQDWWCWBEOAV-DOTOQJQBSA-N 1 1 272.392 3.369 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000801920771 630366414 /nfs/dbraw/zinc/36/64/14/630366414.db2.gz SDYDXUZRKLBVQD-NHYWBVRUSA-N 1 1 280.318 3.030 20 30 CGEDMO Cc1cccc([C@@H]2CCC[N@@H+]2CCO[C@@H](C)C#N)c1C ZINC000801922833 630367048 /nfs/dbraw/zinc/36/70/48/630367048.db2.gz PVQOZGXTRXBDSC-YOEHRIQHSA-N 1 1 272.392 3.369 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCCC2(C1)CCCCCC2 ZINC000801923978 630368045 /nfs/dbraw/zinc/36/80/45/630368045.db2.gz PPQBQACKLOYAFK-OAHLLOKOSA-N 1 1 264.413 3.351 20 30 CGEDMO Cc1cc(C)cc(C2=CC[N@@H+](CCO[C@@H](C)C#N)CC2)c1 ZINC000801939532 630371247 /nfs/dbraw/zinc/37/12/47/630371247.db2.gz FQPRDVVGEPMBEZ-INIZCTEOSA-N 1 1 284.403 3.321 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000801940987 630372063 /nfs/dbraw/zinc/37/20/63/630372063.db2.gz VRALBANZBNEIEZ-XQQFMLRXSA-N 1 1 276.355 3.062 20 30 CGEDMO Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](CCO[C@@H](C)C#N)C2)cc1 ZINC000801952542 630372679 /nfs/dbraw/zinc/37/26/79/630372679.db2.gz ZWSSYRULZUZMFA-HLLBOEOZSA-N 1 1 272.392 3.102 20 30 CGEDMO CCCC(N)=[NH+]OCc1ccc(Br)cc1C#N ZINC000808257885 630633564 /nfs/dbraw/zinc/63/35/64/630633564.db2.gz ZIAMFBYLRCYTGT-UHFFFAOYSA-N 1 1 296.168 3.119 20 30 CGEDMO C#CC[N@H+](CC[C@H](O)c1ccccc1)C1CCCCC1 ZINC000808712702 630669270 /nfs/dbraw/zinc/66/92/70/630669270.db2.gz HLIYLSJCMIVPNF-SFHVURJKSA-N 1 1 271.404 3.378 20 30 CGEDMO C#CC[N@H+](CC[C@H](O)c1ccccc1)Cc1ccccc1 ZINC000808758895 630675119 /nfs/dbraw/zinc/67/51/19/630675119.db2.gz IVJVNVZCCQUSIB-IBGZPJMESA-N 1 1 279.383 3.246 20 30 CGEDMO C=CC[C@H](C)[N@@H+](C)Cc1nc([C@H](C)SCC)no1 ZINC000878197683 635411472 /nfs/dbraw/zinc/41/14/72/635411472.db2.gz JZOXYWXZTIUKIO-QWRGUYRKSA-N 1 1 269.414 3.280 20 30 CGEDMO C=CC[C@H](C)[N@H+](C)Cc1nc([C@H](C)SCC)no1 ZINC000878197683 635411475 /nfs/dbraw/zinc/41/14/75/635411475.db2.gz JZOXYWXZTIUKIO-QWRGUYRKSA-N 1 1 269.414 3.280 20 30 CGEDMO C#C[C@@H](CC)[NH2+]Cc1c(Cl)nc2cc(Cl)ccn21 ZINC000809686051 630782034 /nfs/dbraw/zinc/78/20/34/630782034.db2.gz JVTDZUCOOHLFFC-JTQLQIEISA-N 1 1 282.174 3.143 20 30 CGEDMO C#C[C@@H]([NH2+]C1CC(OCC)C1)c1ccc(Cl)cc1F ZINC000809699460 630785890 /nfs/dbraw/zinc/78/58/90/630785890.db2.gz OTVNPEXNOZTSIM-KOHJWAIASA-N 1 1 281.758 3.311 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1nccn1-c1ccccc1)C(C)(C)C ZINC000809781261 630806458 /nfs/dbraw/zinc/80/64/58/630806458.db2.gz LZXQCIDAJIBQOT-OAHLLOKOSA-N 1 1 267.376 3.010 20 30 CGEDMO CC[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(F)cc1 ZINC000810137357 630843308 /nfs/dbraw/zinc/84/33/08/630843308.db2.gz RTDVFXGTZOVOKU-ZDUSSCGKSA-N 1 1 275.352 3.395 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+]1CC(C)(C)[C@H]1C1CC1 ZINC000811513282 631080587 /nfs/dbraw/zinc/08/05/87/631080587.db2.gz FQXZRXFXKFYLPN-QGZVFWFLSA-N 1 1 269.388 3.319 20 30 CGEDMO C#CCC1(C(=O)N[C@H](C)C[N@H+](C)CCCC)CCCCC1 ZINC000811600801 631091197 /nfs/dbraw/zinc/09/11/97/631091197.db2.gz OLKRSZKMKSKJTR-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C[C@H]1C(=NOCc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000811645520 631096243 /nfs/dbraw/zinc/09/62/43/631096243.db2.gz PTDJVXHZIKWBJC-HNNXBMFYSA-N 1 1 295.386 3.249 20 30 CGEDMO CSCCON=C1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000811648146 631097360 /nfs/dbraw/zinc/09/73/60/631097360.db2.gz LQVGMWIYYLHVDX-CYBMUJFWSA-N 1 1 278.421 3.016 20 30 CGEDMO COc1ccc(C(N)=[NH+]OC[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000812303742 631236454 /nfs/dbraw/zinc/23/64/54/631236454.db2.gz DSUYOYPLFTUZAF-RDJZCZTQSA-N 1 1 296.370 3.136 20 30 CGEDMO CC[N@@H+](CC#Cc1ccccc1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812847901 631325465 /nfs/dbraw/zinc/32/54/65/631325465.db2.gz HHFSRCXDPQUFJK-FXAWDEMLSA-N 1 1 293.410 3.482 20 30 CGEDMO CC[C@H]1CCCC[N@@H+]1Cc1cc(C#N)cnc1Cl ZINC000876524188 634850642 /nfs/dbraw/zinc/85/06/42/634850642.db2.gz LLQGXRSYIKALJL-ZDUSSCGKSA-N 1 1 263.772 3.371 20 30 CGEDMO CC[C@H]1CCCC[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000876524188 634850643 /nfs/dbraw/zinc/85/06/43/634850643.db2.gz LLQGXRSYIKALJL-ZDUSSCGKSA-N 1 1 263.772 3.371 20 30 CGEDMO CC(=NOCC1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000814244037 631557495 /nfs/dbraw/zinc/55/74/95/631557495.db2.gz YAACZEVKJYUVAS-KRWDZBQOSA-N 1 1 272.392 3.311 20 30 CGEDMO CCCCCCCC[N@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000814641209 631614663 /nfs/dbraw/zinc/61/46/63/631614663.db2.gz FEDRHQKYBJEHML-OAHLLOKOSA-N 1 1 289.485 3.104 20 30 CGEDMO CCCCCCCC[N@H+]1CCC[C@H](CS(C)(=O)=O)C1 ZINC000814641207 631616561 /nfs/dbraw/zinc/61/65/61/631616561.db2.gz FEDRHQKYBJEHML-HNNXBMFYSA-N 1 1 289.485 3.104 20 30 CGEDMO CC1(C)Cc2nc(N)sc2C(=[NH+]NC2CCCCC2)C1 ZINC000814910107 631677853 /nfs/dbraw/zinc/67/78/53/631677853.db2.gz QSHMIJIQWDQNFD-UHFFFAOYSA-N 1 1 292.452 3.324 20 30 CGEDMO C=CCOCC[N@@H+]1CC=C(c2ccc(C)cc2)CC1 ZINC000815009756 631703905 /nfs/dbraw/zinc/70/39/05/631703905.db2.gz BZJCUPKWUWPOHD-UHFFFAOYSA-N 1 1 257.377 3.287 20 30 CGEDMO Cc1cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)ccc1N(C)C ZINC000815076116 631711676 /nfs/dbraw/zinc/71/16/76/631711676.db2.gz LGMPHEVHZRHTGQ-ZDUSSCGKSA-N 1 1 271.408 3.185 20 30 CGEDMO Cc1cc(C[N@H+](C[C@@H](C)C#N)C2CC2)ccc1N(C)C ZINC000815076116 631711680 /nfs/dbraw/zinc/71/16/80/631711680.db2.gz LGMPHEVHZRHTGQ-ZDUSSCGKSA-N 1 1 271.408 3.185 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)Cc1cnn(C)c1Cl ZINC000816496758 631993957 /nfs/dbraw/zinc/99/39/57/631993957.db2.gz WBKYULBIIWNBJB-UHFFFAOYSA-N 1 1 289.810 3.304 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1cnn(C)c1Cl ZINC000816496758 631993963 /nfs/dbraw/zinc/99/39/63/631993963.db2.gz WBKYULBIIWNBJB-UHFFFAOYSA-N 1 1 289.810 3.304 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CC[C@@H](c2ccccc2)C1(C)C ZINC000817297674 632117508 /nfs/dbraw/zinc/11/75/08/632117508.db2.gz UKKJJOGRUKTEBA-ZBFHGGJFSA-N 1 1 272.392 3.183 20 30 CGEDMO CC[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(F)cc1O ZINC000818356225 632313514 /nfs/dbraw/zinc/31/35/14/632313514.db2.gz LLYQCTUMJDYIOX-ZKYQVNSYSA-N 1 1 262.328 3.264 20 30 CGEDMO C[N@H+]1CCN(c2ccc3cc(C#N)ccc3n2)CCC1(C)C ZINC000866112668 633003715 /nfs/dbraw/zinc/00/37/15/633003715.db2.gz IFOWRVILURVRPV-UHFFFAOYSA-N 1 1 294.402 3.027 20 30 CGEDMO C[N@H+]1CCN(c2cc(C#N)nc3ccccc32)CCC1(C)C ZINC000866112666 633004050 /nfs/dbraw/zinc/00/40/50/633004050.db2.gz IDZZQQILCIYRCH-UHFFFAOYSA-N 1 1 294.402 3.027 20 30 CGEDMO C[N@H+]1CCN(c2cccc(C(F)F)c2C#N)CCC1(C)C ZINC000866113091 633004442 /nfs/dbraw/zinc/00/44/42/633004442.db2.gz UDJPJEUBELJAJS-UHFFFAOYSA-N 1 1 293.361 3.416 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000880053988 635905780 /nfs/dbraw/zinc/90/57/80/635905780.db2.gz VOCNZHFXBVZABQ-CQSZACIVSA-N 1 1 298.308 3.020 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000880053988 635905784 /nfs/dbraw/zinc/90/57/84/635905784.db2.gz VOCNZHFXBVZABQ-CQSZACIVSA-N 1 1 298.308 3.020 20 30 CGEDMO C[C@H](C#N)C[N@@H+](CC[C@@H]1CC1(Cl)Cl)C1CC1 ZINC000822780799 633021297 /nfs/dbraw/zinc/02/12/97/633021297.db2.gz VISXORKKNUICMW-NXEZZACHSA-N 1 1 261.196 3.194 20 30 CGEDMO CCCCCCCC[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000823027294 633051438 /nfs/dbraw/zinc/05/14/38/633051438.db2.gz HGESYLQHLJFBIG-CVEARBPZSA-N 1 1 282.472 3.441 20 30 CGEDMO CCC[C@H]([NH2+]Cc1ccc(C#N)cn1)c1cc(C)ccn1 ZINC000866343392 633089745 /nfs/dbraw/zinc/08/97/45/633089745.db2.gz JPYUJCBVIOCDFH-INIZCTEOSA-N 1 1 280.375 3.288 20 30 CGEDMO C#CC[N@@H+](Cc1ccnn1CC1CC1)C1CCCCC1 ZINC000824633022 633266752 /nfs/dbraw/zinc/26/67/52/633266752.db2.gz WFMLGNIANFOGQO-UHFFFAOYSA-N 1 1 271.408 3.061 20 30 CGEDMO C=C1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000824720943 633279284 /nfs/dbraw/zinc/27/92/84/633279284.db2.gz XKAONEDJCKZKBT-UHFFFAOYSA-N 1 1 282.181 3.307 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[NH2+][C@H](c2ccccc2C)C1 ZINC000825175694 633334779 /nfs/dbraw/zinc/33/47/79/633334779.db2.gz ZIXBNKZGKQDELF-SFHVURJKSA-N 1 1 298.430 3.236 20 30 CGEDMO C#Cc1cccc(C[NH2+]Cc2csc(C3CC3)n2)c1 ZINC000825225869 633337135 /nfs/dbraw/zinc/33/71/35/633337135.db2.gz AXLUGCMDQHEUSX-UHFFFAOYSA-N 1 1 268.385 3.292 20 30 CGEDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](CC#N)C2)c1O ZINC000826861988 633437914 /nfs/dbraw/zinc/43/79/14/633437914.db2.gz QHNFYEZBZJQZAM-NSHDSACASA-N 1 1 294.782 3.180 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000826861808 633438042 /nfs/dbraw/zinc/43/80/42/633438042.db2.gz KBEPGRDUEBNOLI-JTQLQIEISA-N 1 1 282.746 3.310 20 30 CGEDMO CCOCOc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000826862033 633438080 /nfs/dbraw/zinc/43/80/80/633438080.db2.gz RNHWMCCXPSACLA-OAHLLOKOSA-N 1 1 288.391 3.185 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CCO[C@](C)(C3CC3)C2)cc1 ZINC000826878334 633439742 /nfs/dbraw/zinc/43/97/42/633439742.db2.gz XBNQCUANADIAPW-IBGZPJMESA-N 1 1 299.414 3.090 20 30 CGEDMO C#CCCCCC(=O)OCc1c(C)cc(C)[nH+]c1C ZINC000869463941 633448020 /nfs/dbraw/zinc/44/80/20/633448020.db2.gz BCEGLBUVBQPERK-UHFFFAOYSA-N 1 1 259.349 3.244 20 30 CGEDMO C#CC[N@H+](CCCC(=O)CC)[C@H]1CCc2ccccc21 ZINC000827484517 633494290 /nfs/dbraw/zinc/49/42/90/633494290.db2.gz ZCOHADCCWRHBMZ-SFHVURJKSA-N 1 1 269.388 3.368 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](Cc2ccccc2N2CCCCC2)C1 ZINC000827649345 633507079 /nfs/dbraw/zinc/50/70/79/633507079.db2.gz ITUKEUKXZWRFRU-SFHVURJKSA-N 1 1 283.419 3.412 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](Cc2ccccc2N2CCCCC2)C1 ZINC000827649345 633507083 /nfs/dbraw/zinc/50/70/83/633507083.db2.gz ITUKEUKXZWRFRU-SFHVURJKSA-N 1 1 283.419 3.412 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000827650528 633507318 /nfs/dbraw/zinc/50/73/18/633507318.db2.gz RHPLSCXDJJLCFW-SFHVURJKSA-N 1 1 283.419 3.412 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000827650528 633507322 /nfs/dbraw/zinc/50/73/22/633507322.db2.gz RHPLSCXDJJLCFW-SFHVURJKSA-N 1 1 283.419 3.412 20 30 CGEDMO C=CCCCC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000870123619 633533106 /nfs/dbraw/zinc/53/31/06/633533106.db2.gz GTNQSCUAQGMVRX-MRXNPFEDSA-N 1 1 286.419 3.248 20 30 CGEDMO C#CC[N@H+](CC/C=C/c1cncc(OC)c1)C1CCCC1 ZINC000827990491 633546289 /nfs/dbraw/zinc/54/62/89/633546289.db2.gz LMEKUNPTTLIBLW-SOFGYWHQSA-N 1 1 284.403 3.371 20 30 CGEDMO C=CC1(CC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CCCCC1 ZINC000828510806 633622110 /nfs/dbraw/zinc/62/21/10/633622110.db2.gz KAYCIDFJFHJWBD-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO CC[C@H]([NH2+]CC1(C#N)CCC1)c1ccccc1OC ZINC000828656428 633640532 /nfs/dbraw/zinc/64/05/32/633640532.db2.gz WQDIWBMQXUTJOO-AWEZNQCLSA-N 1 1 258.365 3.430 20 30 CGEDMO C=CCCCCC[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC000829175371 633708049 /nfs/dbraw/zinc/70/80/49/633708049.db2.gz HUIMJROZASESSG-UHFFFAOYSA-N 1 1 265.788 3.235 20 30 CGEDMO C=CCCCCC[N@H+]1CCc2cc(Cl)nnc2C1 ZINC000829175371 633708055 /nfs/dbraw/zinc/70/80/55/633708055.db2.gz HUIMJROZASESSG-UHFFFAOYSA-N 1 1 265.788 3.235 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000829769033 633778362 /nfs/dbraw/zinc/77/83/62/633778362.db2.gz MXBPUHJMAUTGGH-ZDUSSCGKSA-N 1 1 287.794 3.223 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3)s2)C1 ZINC000829810044 633792342 /nfs/dbraw/zinc/79/23/42/633792342.db2.gz KXSOZYRJLXOHAK-CQSZACIVSA-N 1 1 297.427 3.440 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000829810395 633792820 /nfs/dbraw/zinc/79/28/20/633792820.db2.gz PLHAMZTWOVCAIG-ZDUSSCGKSA-N 1 1 272.779 3.447 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000829811184 633793766 /nfs/dbraw/zinc/79/37/66/633793766.db2.gz ZFCLHJYXPPZBQU-BLLLJJGKSA-N 1 1 295.785 3.248 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](C[C@H](O)c2ccccc2Cl)C1 ZINC000829815363 633795116 /nfs/dbraw/zinc/79/51/16/633795116.db2.gz KLFINOWLBLUDMN-BBRMVZONSA-N 1 1 277.795 3.109 20 30 CGEDMO C[C@@]1(F)CCC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000830206605 633839442 /nfs/dbraw/zinc/83/94/42/633839442.db2.gz QSGZJBZSYZUOES-MRXNPFEDSA-N 1 1 276.355 3.151 20 30 CGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ccc(C(C)C)nc2)no1 ZINC000872179765 634080659 /nfs/dbraw/zinc/08/06/59/634080659.db2.gz GFYPTNWOFSNCLW-LLVKDONJSA-N 1 1 292.770 3.397 20 30 CGEDMO C=CC(C)(C)CCCNC(=O)CCCn1cc[nH+]c1C ZINC000832725873 634086845 /nfs/dbraw/zinc/08/68/45/634086845.db2.gz PQGFSDARVZMYNW-UHFFFAOYSA-N 1 1 277.412 3.080 20 30 CGEDMO Cc1cc(O)c(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)cc1C ZINC000872680379 634185895 /nfs/dbraw/zinc/18/58/95/634185895.db2.gz HAOIPZUFTBOJOH-HIFRSBDPSA-N 1 1 258.365 3.133 20 30 CGEDMO C[N@@H+](Cc1cc2c(cc1O)CCCC2)[C@@H]1CCC[C@@H]1C#N ZINC000872684511 634187041 /nfs/dbraw/zinc/18/70/41/634187041.db2.gz OJHRENGNWAGHSR-NVXWUHKLSA-N 1 1 284.403 3.395 20 30 CGEDMO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1CCn2ccnc21 ZINC000834831608 634251378 /nfs/dbraw/zinc/25/13/78/634251378.db2.gz KQYJTVJZPPVNFQ-IAGOWNOFSA-N 1 1 292.386 3.257 20 30 CGEDMO CCOC(=O)c1ccc(N[NH2+]C=C2CC2(F)F)cc1C ZINC000834979001 634302296 /nfs/dbraw/zinc/30/22/96/634302296.db2.gz KKJFFANGJFPRRL-SNVBAGLBSA-N 1 1 282.290 3.225 20 30 CGEDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](CCC#N)CC1CC1 ZINC000876691406 634881590 /nfs/dbraw/zinc/88/15/90/634881590.db2.gz ICMXFUQPDVLUKR-UHFFFAOYSA-N 1 1 287.363 3.337 20 30 CGEDMO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](CCC#N)CC1CC1 ZINC000876691406 634881596 /nfs/dbraw/zinc/88/15/96/634881596.db2.gz ICMXFUQPDVLUKR-UHFFFAOYSA-N 1 1 287.363 3.337 20 30 CGEDMO CC[N@H+](C[C@H](O)c1ccc(C)cc1)C[C@@H](C)CCC#N ZINC000876763363 634895824 /nfs/dbraw/zinc/89/58/24/634895824.db2.gz DVZYODZCOSYIDZ-RDJZCZTQSA-N 1 1 274.408 3.290 20 30 CGEDMO C#CCCCCCC[N@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000876792656 634899910 /nfs/dbraw/zinc/89/99/10/634899910.db2.gz XOLYOKXDJSAPKS-MRXNPFEDSA-N 1 1 273.424 3.313 20 30 CGEDMO C#CCCCCCC[N@H+](C)[C@H]1CCCc2c1cnn2C ZINC000876792655 634900373 /nfs/dbraw/zinc/90/03/73/634900373.db2.gz XOLYOKXDJSAPKS-INIZCTEOSA-N 1 1 273.424 3.313 20 30 CGEDMO C#CCCCCCC[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000876811030 634903785 /nfs/dbraw/zinc/90/37/85/634903785.db2.gz GFVSHIDSJSPVTR-SJORKVTESA-N 1 1 263.425 3.319 20 30 CGEDMO C=C(C)[C@H](CC(=O)OC[C@H]1CCCC[N@H+]1C(C)C)OCC ZINC000837598678 634946407 /nfs/dbraw/zinc/94/64/07/634946407.db2.gz UYMJYUYNWVMXRU-CVEARBPZSA-N 1 1 297.439 3.164 20 30 CGEDMO CCOc1cc(F)cc(C[NH2+][C@@H](CC)CC#N)c1 ZINC000877364289 635031304 /nfs/dbraw/zinc/03/13/04/635031304.db2.gz LGRBTXIOCXAOPU-ZDUSSCGKSA-N 1 1 250.317 3.006 20 30 CGEDMO CC[N@@H+](Cc1ccncc1)Cc1cc(C#N)ccc1N(C)C ZINC000877522579 635070542 /nfs/dbraw/zinc/07/05/42/635070542.db2.gz DFRJLWQMYJZYQI-UHFFFAOYSA-N 1 1 294.402 3.041 20 30 CGEDMO C#CCCCCCC[N@@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000877541247 635080010 /nfs/dbraw/zinc/08/00/10/635080010.db2.gz DZUJRMWCXSCPPW-MRXNPFEDSA-N 1 1 259.397 3.022 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cnc3c(F)cccc3c2)C1 ZINC000877617167 635115147 /nfs/dbraw/zinc/11/51/47/635115147.db2.gz MENKQUCNVUUXGQ-ZDUSSCGKSA-N 1 1 268.335 3.219 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc3c(ccnc3Cl)o2)C1 ZINC000877651392 635132952 /nfs/dbraw/zinc/13/29/52/635132952.db2.gz XPAJPLHEJJDYIR-LLVKDONJSA-N 1 1 274.751 3.326 20 30 CGEDMO Cc1occc1C[N@@H+](C)CCc1cccc(C#N)c1 ZINC000877704438 635156461 /nfs/dbraw/zinc/15/64/61/635156461.db2.gz IGEIQUSOTKRSDU-UHFFFAOYSA-N 1 1 254.333 3.134 20 30 CGEDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000841493192 635186731 /nfs/dbraw/zinc/18/67/31/635186731.db2.gz WJLNPNPCZOQMJN-FZKQIMNGSA-N 1 1 298.361 3.424 20 30 CGEDMO CC([NH2+]Nc1ccc([N+](=O)[O-])cc1)=C1CC1(F)F ZINC000841605640 635196573 /nfs/dbraw/zinc/19/65/73/635196573.db2.gz YXHGVPAFRIOZJB-JTQLQIEISA-N 1 1 255.224 3.038 20 30 CGEDMO CC1(C)CCc2onc(C[NH2+][C@@H]3CCC[C@@H](C#N)C3)c2C1 ZINC000877810334 635213246 /nfs/dbraw/zinc/21/32/46/635213246.db2.gz ROVBHAXSIQTVJR-CHWSQXEVSA-N 1 1 287.407 3.361 20 30 CGEDMO C#CCCCC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841750728 635225093 /nfs/dbraw/zinc/22/50/93/635225093.db2.gz IRCIWGORLBDCNQ-NSHDSACASA-N 1 1 251.757 3.500 20 30 CGEDMO C#CCCCCC[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000878031524 635329393 /nfs/dbraw/zinc/32/93/93/635329393.db2.gz BRJZSNPNCRPKQL-HNNXBMFYSA-N 1 1 294.439 3.027 20 30 CGEDMO C=CC[C@H](C)[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000878041476 635333077 /nfs/dbraw/zinc/33/30/77/635333077.db2.gz MOYCRODIPMOEBG-XHDPSFHLSA-N 1 1 267.319 3.303 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000878041476 635333082 /nfs/dbraw/zinc/33/30/82/635333082.db2.gz MOYCRODIPMOEBG-XHDPSFHLSA-N 1 1 267.319 3.303 20 30 CGEDMO C=CC[C@@H](C)[N@@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000878041473 635333537 /nfs/dbraw/zinc/33/35/37/635333537.db2.gz MOYCRODIPMOEBG-ABAIWWIYSA-N 1 1 267.319 3.303 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000878041473 635333542 /nfs/dbraw/zinc/33/35/42/635333542.db2.gz MOYCRODIPMOEBG-ABAIWWIYSA-N 1 1 267.319 3.303 20 30 CGEDMO CC1(C)C[C@H](C[N@@H+](CCC#N)CC2CC2)C(C)(C)O1 ZINC000878159076 635386172 /nfs/dbraw/zinc/38/61/72/635386172.db2.gz DEZKRYCYYNSEAX-CQSZACIVSA-N 1 1 264.413 3.206 20 30 CGEDMO C#CCCCCC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000878322934 635461059 /nfs/dbraw/zinc/46/10/59/635461059.db2.gz SFBOLTZWZOALGL-GOSISDBHSA-N 1 1 282.387 3.125 20 30 CGEDMO C#CCCCCC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000878322934 635461061 /nfs/dbraw/zinc/46/10/61/635461061.db2.gz SFBOLTZWZOALGL-GOSISDBHSA-N 1 1 282.387 3.125 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2coc(-c3cccc(OC)c3)n2)C1 ZINC000878844278 635641123 /nfs/dbraw/zinc/64/11/23/635641123.db2.gz VQQNVMJJTWGCEU-AWEZNQCLSA-N 1 1 296.370 3.195 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2coc(-c3cccc(OC)c3)n2)C1 ZINC000878844278 635641130 /nfs/dbraw/zinc/64/11/30/635641130.db2.gz VQQNVMJJTWGCEU-AWEZNQCLSA-N 1 1 296.370 3.195 20 30 CGEDMO CC(C)[C@@H]1[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CC12CC=CC2 ZINC000843297156 635641364 /nfs/dbraw/zinc/64/13/64/635641364.db2.gz RRMDVQCSJTZSGU-MSOLQXFVSA-N 1 1 296.414 3.268 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(C)c(OC)c2)C1 ZINC000843423020 635666210 /nfs/dbraw/zinc/66/62/10/635666210.db2.gz KOYFTYUTTIPVDN-OAHLLOKOSA-N 1 1 257.377 3.239 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cnc3ccc(Cl)cn23)C1 ZINC000843423410 635666220 /nfs/dbraw/zinc/66/62/20/635666220.db2.gz CRRAVFNOSPHMIV-ZDUSSCGKSA-N 1 1 287.794 3.223 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000843423404 635666456 /nfs/dbraw/zinc/66/64/56/635666456.db2.gz NQEFSMSEFZLNBJ-AWEZNQCLSA-N 1 1 299.443 3.384 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2cnc(C3CC3)s2)C1 ZINC000843423292 635666777 /nfs/dbraw/zinc/66/67/77/635666777.db2.gz BZKQDNWHGOQAAF-LBPRGKRZSA-N 1 1 260.406 3.256 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000843423287 635667194 /nfs/dbraw/zinc/66/71/94/635667194.db2.gz BVUNAJWYIVWDLY-CQSZACIVSA-N 1 1 299.443 3.384 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2ncc(CSC)s2)C1 ZINC000843424438 635667882 /nfs/dbraw/zinc/66/78/82/635667882.db2.gz ZYTPIOQYBHMHRP-LBPRGKRZSA-N 1 1 280.462 3.241 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ncc(CSC)s2)C1 ZINC000843424438 635667890 /nfs/dbraw/zinc/66/78/90/635667890.db2.gz ZYTPIOQYBHMHRP-LBPRGKRZSA-N 1 1 280.462 3.241 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2ccc3cnccc3c2)C1 ZINC000843424255 635668834 /nfs/dbraw/zinc/66/88/34/635668834.db2.gz WUXHKRWEKMWYKY-HNNXBMFYSA-N 1 1 264.372 3.470 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC000879004047 635677778 /nfs/dbraw/zinc/67/77/78/635677778.db2.gz FQYRYALBEUEWRW-UHFFFAOYSA-N 1 1 254.736 3.153 20 30 CGEDMO N#Cc1ccc(C2CC[NH+](CC=C(Cl)Cl)CC2)nc1 ZINC000879023180 635684033 /nfs/dbraw/zinc/68/40/33/635684033.db2.gz JCDBKGNMWZYRDG-UHFFFAOYSA-N 1 1 296.201 3.452 20 30 CGEDMO N#CCc1cccc2c1CC[N@@H+](C[C@@H]1CCC3(CCC3)O1)C2 ZINC000879065763 635694539 /nfs/dbraw/zinc/69/45/39/635694539.db2.gz XCTYEHQTODROGX-KRWDZBQOSA-N 1 1 296.414 3.212 20 30 CGEDMO C[N@@H+](CC[C@@H]1CC1(Cl)Cl)[C@H]1CCC[C@H]1C#N ZINC000879308874 635751228 /nfs/dbraw/zinc/75/12/28/635751228.db2.gz JKIKAVRHAYAKFP-AXFHLTTASA-N 1 1 261.196 3.194 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000879314034 635753522 /nfs/dbraw/zinc/75/35/22/635753522.db2.gz PQZRQMGDBMXWMB-RDJZCZTQSA-N 1 1 286.419 3.150 20 30 CGEDMO C#CC[NH2+]C1(c2ccccc2Br)CCC1 ZINC000844351453 635876528 /nfs/dbraw/zinc/87/65/28/635876528.db2.gz OSJGXKLEIABUJT-UHFFFAOYSA-N 1 1 264.166 3.051 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](C)[C@H]1CCNC(=O)OC(C)(C)C ZINC000844399649 635890499 /nfs/dbraw/zinc/89/04/99/635890499.db2.gz FKFJIYLCTVWKPX-HUUCEWRRSA-N 1 1 294.439 3.025 20 30 CGEDMO CC(C)(O)[C@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000879964847 635890765 /nfs/dbraw/zinc/89/07/65/635890765.db2.gz QOGRHGRKDLKZJE-HNNXBMFYSA-N 1 1 278.440 3.333 20 30 CGEDMO C[C@H](c1ccccc1)N1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000880251055 635957113 /nfs/dbraw/zinc/95/71/13/635957113.db2.gz POTUESWXFNEDEM-NUJGCVRESA-N 1 1 283.419 3.057 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000888810673 635981177 /nfs/dbraw/zinc/98/11/77/635981177.db2.gz BNCRYKWGOBFNNE-UHFFFAOYSA-N 1 1 272.392 3.067 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000888810673 635981181 /nfs/dbraw/zinc/98/11/81/635981181.db2.gz BNCRYKWGOBFNNE-UHFFFAOYSA-N 1 1 272.392 3.067 20 30 CGEDMO N#CCCC[N@H+]1CCCSC[C@@H]1c1ccccc1 ZINC000880387664 635990099 /nfs/dbraw/zinc/99/00/99/635990099.db2.gz TYLJPIQKASQWCV-OAHLLOKOSA-N 1 1 260.406 3.470 20 30 CGEDMO C=CCCC[C@@H]([NH2+]Cc1nccc(N)n1)c1ccccc1 ZINC000880388535 635991364 /nfs/dbraw/zinc/99/13/64/635991364.db2.gz LIPASTXZUWLDCH-OAHLLOKOSA-N 1 1 282.391 3.246 20 30 CGEDMO N#Cc1c(F)cccc1C[NH+]1CCC2(CCCCO2)CC1 ZINC000880458311 636003986 /nfs/dbraw/zinc/00/39/86/636003986.db2.gz OVDODDKGLXEJHQ-UHFFFAOYSA-N 1 1 288.366 3.232 20 30 CGEDMO C#CCC1(O)CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000880477020 636007932 /nfs/dbraw/zinc/00/79/32/636007932.db2.gz AFSISTUMUJPFDV-UHFFFAOYSA-N 1 1 298.213 3.344 20 30 CGEDMO C=CCCN(CCCc1c[nH+]cn1C)OCc1ccccc1 ZINC000846867666 636265713 /nfs/dbraw/zinc/26/57/13/636265713.db2.gz NPJGZYVDMYGZFT-UHFFFAOYSA-N 1 1 299.418 3.363 20 30 CGEDMO C=CCCC[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000882234046 636294778 /nfs/dbraw/zinc/29/47/78/636294778.db2.gz FXUHGGUKXFWSHA-SJORKVTESA-N 1 1 286.419 3.152 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000846990182 636301234 /nfs/dbraw/zinc/30/12/34/636301234.db2.gz BHIBJSLAYHIIEN-AWEZNQCLSA-N 1 1 284.359 3.192 20 30 CGEDMO C#C[C@H]1CCC[N@H+](CC[C@@H](C)OCc2ccccc2)C1 ZINC000847017928 636311750 /nfs/dbraw/zinc/31/17/50/636311750.db2.gz FQDYEHAOBBJORT-SJORKVTESA-N 1 1 271.404 3.327 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000847023040 636315247 /nfs/dbraw/zinc/31/52/47/636315247.db2.gz AKDSTHCNMXVBIK-CQSZACIVSA-N 1 1 266.344 3.187 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000847023131 636316000 /nfs/dbraw/zinc/31/60/00/636316000.db2.gz ZEGHXYYZZZOPBM-AWEZNQCLSA-N 1 1 257.764 3.037 20 30 CGEDMO C#C[C@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000847023131 636316005 /nfs/dbraw/zinc/31/60/05/636316005.db2.gz ZEGHXYYZZZOPBM-AWEZNQCLSA-N 1 1 257.764 3.037 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2nc(-c3ccccc3)oc2C)C1 ZINC000847032987 636319766 /nfs/dbraw/zinc/31/97/66/636319766.db2.gz ZQHPPSPPKDFFJC-OAHLLOKOSA-N 1 1 280.371 3.495 20 30 CGEDMO CCCCCCCN1CCC([NH2+]CC2CC2)CC1 ZINC000130894067 636527423 /nfs/dbraw/zinc/52/74/23/636527423.db2.gz DOUUCKFQIDFNIB-UHFFFAOYSA-N 1 1 252.446 3.421 20 30 CGEDMO C=CCC[C@@H](Cc1ccccc1)[NH2+]Cc1ccn[nH]1 ZINC000883186827 636572428 /nfs/dbraw/zinc/57/24/28/636572428.db2.gz ADNMWXGXDBTKTH-HNNXBMFYSA-N 1 1 255.365 3.077 20 30 CGEDMO C=CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCc2cn[nH]c2C1 ZINC000883197614 636579962 /nfs/dbraw/zinc/57/99/62/636579962.db2.gz PKLMMNGMTABEDF-QZTJIDSGSA-N 1 1 295.430 3.434 20 30 CGEDMO C#CC[C@@H]([NH2+][C@H]1CCCn2ccnc21)c1ccccc1 ZINC000848535601 636593615 /nfs/dbraw/zinc/59/36/15/636593615.db2.gz DYWHNMZFYWHDFR-CVEARBPZSA-N 1 1 265.360 3.072 20 30 CGEDMO N#CCCCC[C@@H]([NH3+])c1nc([C@@H]2CCCCS2)no1 ZINC000848625397 636622845 /nfs/dbraw/zinc/62/28/45/636622845.db2.gz SNYARGZWTUPGKS-MNOVXSKESA-N 1 1 280.397 3.112 20 30 CGEDMO Cc1nn(-c2ccccc2F)cc1C[NH+]1CCC(C#N)CC1 ZINC000848886208 636674823 /nfs/dbraw/zinc/67/48/23/636674823.db2.gz VDEGJPHMJGWQQR-UHFFFAOYSA-N 1 1 298.365 3.055 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cn(-c3ccccc3F)nc2C)C1 ZINC000848923400 636694058 /nfs/dbraw/zinc/69/40/58/636694058.db2.gz DEOUTOLRYRQQPZ-OAHLLOKOSA-N 1 1 297.377 3.165 20 30 CGEDMO C#C[C@H]1CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000848923156 636694253 /nfs/dbraw/zinc/69/42/53/636694253.db2.gz ACNBVCXDWHHKPE-IPJDOKCGSA-N 1 1 284.359 3.343 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(OCCC)c(OC)c2)C1 ZINC000848923511 636694271 /nfs/dbraw/zinc/69/42/71/636694271.db2.gz MAYZQXKUVNZVCI-HNNXBMFYSA-N 1 1 287.403 3.329 20 30 CGEDMO C[NH+](C)[C@H]1CCC[C@@H](NCc2ccc(C3(C#N)CC3)cc2)C1 ZINC000850172738 636972390 /nfs/dbraw/zinc/97/23/90/636972390.db2.gz DEIZCQZLPIMLAJ-MSOLQXFVSA-N 1 1 297.446 3.204 20 30 CGEDMO C[N@H+](Cc1ccccc1Cl)C[C@@H](O)CC1(C#N)CCC1 ZINC000885930828 637317538 /nfs/dbraw/zinc/31/75/38/637317538.db2.gz JAAPJMVQKRHRIX-AWEZNQCLSA-N 1 1 292.810 3.217 20 30 CGEDMO CC[N@@H+](C[C@H](O)CC1(C#N)CCC1)[C@H]1CCCC[C@@H]1C ZINC000886157810 637440922 /nfs/dbraw/zinc/44/09/22/637440922.db2.gz LMBLLUXEGAOFAG-XHSDSOJGSA-N 1 1 278.440 3.332 20 30 CGEDMO CC(C)(C)[C@@H]1CCC[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886184018 637451619 /nfs/dbraw/zinc/45/16/19/637451619.db2.gz RZHSEODEIZIVJQ-HUUCEWRRSA-N 1 1 278.440 3.189 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@H+]2CCCC[C@H]2C2CCC2)CCC1 ZINC000886267092 637473361 /nfs/dbraw/zinc/47/33/61/637473361.db2.gz FYUNDNYCPPAHRM-CVEARBPZSA-N 1 1 276.424 3.086 20 30 CGEDMO CC1(C)CCC(C)(C)[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886296969 637488248 /nfs/dbraw/zinc/48/82/48/637488248.db2.gz GHYSGCSCMJRWRS-AWEZNQCLSA-N 1 1 278.440 3.332 20 30 CGEDMO C=CC[N@H+](C[C@@H](O)c1ccccn1)CC1CCCCC1 ZINC000851770196 637496286 /nfs/dbraw/zinc/49/62/86/637496286.db2.gz ZQYQFFMGRAXVJJ-QGZVFWFLSA-N 1 1 274.408 3.183 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2coc(-c3ccc(OC)cc3)n2)C1 ZINC000886353308 637509408 /nfs/dbraw/zinc/50/94/08/637509408.db2.gz GJRHQYNTKLVCRE-CQSZACIVSA-N 1 1 296.370 3.195 20 30 CGEDMO C#CC[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000886355244 637510588 /nfs/dbraw/zinc/51/05/88/637510588.db2.gz FGWDIBUKIBFKAY-ZDUSSCGKSA-N 1 1 290.794 3.014 20 30 CGEDMO C#CC[C@H]1CC[N@H+]([C@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000886357508 637511753 /nfs/dbraw/zinc/51/17/53/637511753.db2.gz IEILBNLOTVNQOI-ZBFHGGJFSA-N 1 1 295.386 3.067 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)C[C@H](CC)CC(F)F)n1 ZINC000851996313 637566843 /nfs/dbraw/zinc/56/68/43/637566843.db2.gz MROGQUXBLDAANS-CYBMUJFWSA-N 1 1 283.366 3.020 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886568273 637585364 /nfs/dbraw/zinc/58/53/64/637585364.db2.gz FHVIRXJQQFAXLX-BETUJISGSA-N 1 1 278.808 3.006 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886568273 637585372 /nfs/dbraw/zinc/58/53/72/637585372.db2.gz FHVIRXJQQFAXLX-BETUJISGSA-N 1 1 278.808 3.006 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+]Cc1nc(C(F)(F)F)cs1 ZINC000852101337 637595549 /nfs/dbraw/zinc/59/55/49/637595549.db2.gz PESSSWRPLPSLGJ-JTQLQIEISA-N 1 1 262.300 3.053 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+]Cc1ncc(-c2cccc(F)c2)o1 ZINC000852102726 637597042 /nfs/dbraw/zinc/59/70/42/637597042.db2.gz OXJFVRMMOZEJCK-INIZCTEOSA-N 1 1 272.323 3.372 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2nsc3ccccc32)C1 ZINC000852215893 637619337 /nfs/dbraw/zinc/61/93/37/637619337.db2.gz QEYPAWAHTXKMJM-GFCCVEGCSA-N 1 1 256.374 3.142 20 30 CGEDMO N#C[C@@]1(c2ccccn2)CCC[N@H+](CCc2ccccc2)C1 ZINC000852324828 637635006 /nfs/dbraw/zinc/63/50/06/637635006.db2.gz CEZJVGWUWHIJSO-IBGZPJMESA-N 1 1 291.398 3.181 20 30 CGEDMO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CCc2ccccc2)C1 ZINC000852324828 637635020 /nfs/dbraw/zinc/63/50/20/637635020.db2.gz CEZJVGWUWHIJSO-IBGZPJMESA-N 1 1 291.398 3.181 20 30 CGEDMO C=CCC[N@@H+]1Cc2ccc(NC(=O)C(F)(F)F)cc2C1 ZINC000852334164 637635967 /nfs/dbraw/zinc/63/59/67/637635967.db2.gz HDOOOSLIGXIBMQ-UHFFFAOYSA-N 1 1 284.281 3.079 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000852411425 637649259 /nfs/dbraw/zinc/64/92/59/637649259.db2.gz UGKNIXNUJCWFNE-HNNXBMFYSA-N 1 1 298.430 3.384 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)c1ccc(F)cc1F ZINC000852685326 637695546 /nfs/dbraw/zinc/69/55/46/637695546.db2.gz FJPUTMXEHZXKPJ-DVOMOZLQSA-N 1 1 279.330 3.181 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC2(CC1)OCCO2 ZINC000852688041 637696727 /nfs/dbraw/zinc/69/67/27/637696727.db2.gz REAVLRRJSNLEQP-IYBDPMFKSA-N 1 1 277.408 3.103 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N[C@@H](C)CCCCC ZINC000852687210 637697179 /nfs/dbraw/zinc/69/71/79/637697179.db2.gz QSXBYIGZKHWKGQ-HRCADAONSA-N 1 1 278.440 3.254 20 30 CGEDMO C#CCC[N@H+](CCOC)C[C@@H](OC(C)C)c1ccccc1 ZINC000852748517 637705424 /nfs/dbraw/zinc/70/54/24/637705424.db2.gz CBWHPLFYFAKFLW-GOSISDBHSA-N 1 1 289.419 3.124 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1Cc2ccccc2OC2(CCC2)C1 ZINC000887149557 637764257 /nfs/dbraw/zinc/76/42/57/637764257.db2.gz ASCOXSYHDCMPKN-CQSZACIVSA-N 1 1 270.376 3.496 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000853525258 637861226 /nfs/dbraw/zinc/86/12/26/637861226.db2.gz UJZDTSWPZQBMBX-AWEZNQCLSA-N 1 1 284.403 3.397 20 30 CGEDMO C=CC[N@H+](Cn1ccc(-c2cccs2)n1)[C@H](C)COC ZINC000853532610 637863098 /nfs/dbraw/zinc/86/30/98/637863098.db2.gz IIJWWWHVSWOZDK-CYBMUJFWSA-N 1 1 291.420 3.092 20 30 CGEDMO C=CC[N@@H+](Cn1ccc(-c2cccs2)n1)[C@H](C)COC ZINC000853532610 637863102 /nfs/dbraw/zinc/86/31/02/637863102.db2.gz IIJWWWHVSWOZDK-CYBMUJFWSA-N 1 1 291.420 3.092 20 30 CGEDMO Fc1ccc(F)c(C[NH2+]CC#Cc2ccccc2)c1 ZINC000111405605 637868252 /nfs/dbraw/zinc/86/82/52/637868252.db2.gz MRKZTEGUKCDLAB-UHFFFAOYSA-N 1 1 257.283 3.106 20 30 CGEDMO COc1ccc2ccc(O)c(C[N@H+]3CC[C@](C)(C#N)C3)c2c1 ZINC000853599551 637871328 /nfs/dbraw/zinc/87/13/28/637871328.db2.gz ROHRRPSQKWQLMN-GOSISDBHSA-N 1 1 296.370 3.290 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000853598811 637871375 /nfs/dbraw/zinc/87/13/75/637871375.db2.gz GNNIAHCWDCHDTL-QGZVFWFLSA-N 1 1 266.344 3.281 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000853597057 637871959 /nfs/dbraw/zinc/87/19/59/637871959.db2.gz PTARJPRWNKZASB-KRWDZBQOSA-N 1 1 270.376 3.007 20 30 CGEDMO C#CCOc1ccc(C[NH2+][C@H](C)c2nc(C)cs2)cc1 ZINC000113334654 638200623 /nfs/dbraw/zinc/20/06/23/638200623.db2.gz KPWWDNGRRVOYBZ-CYBMUJFWSA-N 1 1 286.400 3.314 20 30 CGEDMO Cc1ccccc1[C@@H](C)[N@@H+](CC(C)C)C[C@H](O)CC#N ZINC000930369458 638253710 /nfs/dbraw/zinc/25/37/10/638253710.db2.gz BIBCEUKTWFHNGM-HZPDHXFCSA-N 1 1 274.408 3.289 20 30 CGEDMO C=C(Cl)CN1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000113997894 638316366 /nfs/dbraw/zinc/31/63/66/638316366.db2.gz CKOBTGBWLIIOPU-HUUCEWRRSA-N 1 1 270.848 3.325 20 30 CGEDMO C#CC[NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC000856781648 638388158 /nfs/dbraw/zinc/38/81/58/638388158.db2.gz UZMFBAQDUZUGCM-ZETCQYMHSA-N 1 1 262.662 3.038 20 30 CGEDMO C=CCCN(C)C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857189151 638469290 /nfs/dbraw/zinc/46/92/90/638469290.db2.gz WKOWDQXLGJANHU-QGZVFWFLSA-N 1 1 286.419 3.144 20 30 CGEDMO CO[C@H](C)c1nc(C[NH2+][C@@H](C)CC(C)(C)C#N)cs1 ZINC000925238090 638482517 /nfs/dbraw/zinc/48/25/17/638482517.db2.gz SANTWJCOUQPVJV-WDEREUQCSA-N 1 1 281.425 3.268 20 30 CGEDMO C=C(CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1)c1ccccc1 ZINC000925632573 638550595 /nfs/dbraw/zinc/55/05/95/638550595.db2.gz AYKBIUQPXRYPPR-OALUTQOASA-N 1 1 284.447 3.458 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858024209 638620292 /nfs/dbraw/zinc/62/02/92/638620292.db2.gz VSJXWEQEZPAZCY-PBHICJAKSA-N 1 1 299.418 3.494 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858014957 638620378 /nfs/dbraw/zinc/62/03/78/638620378.db2.gz UJQGUSZTPOMGKN-INIZCTEOSA-N 1 1 272.392 3.378 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858049363 638621983 /nfs/dbraw/zinc/62/19/83/638621983.db2.gz ZMNYHFBXCYOKRH-MRXNPFEDSA-N 1 1 299.418 3.352 20 30 CGEDMO C#CC[C@@H](COC)[NH2+]Cc1csc(Cl)c1Cl ZINC000858335087 638684923 /nfs/dbraw/zinc/68/49/23/638684923.db2.gz MHSLOSQBNMJSSS-VIFPVBQESA-N 1 1 278.204 3.183 20 30 CGEDMO C#CC[C@H](COC)[NH2+]Cc1csc(Cl)c1Cl ZINC000858335085 638685707 /nfs/dbraw/zinc/68/57/07/638685707.db2.gz MHSLOSQBNMJSSS-SECBINFHSA-N 1 1 278.204 3.183 20 30 CGEDMO C#CCOc1ccc(C[NH2+][C@@H]2CCCc3scnc32)cc1 ZINC000858424172 638713130 /nfs/dbraw/zinc/71/31/30/638713130.db2.gz VFWBVEKHGMPFQY-OAHLLOKOSA-N 1 1 298.411 3.322 20 30 CGEDMO C=C(C)[C@@H]([NH2+][C@@H]1CCC1(OC)OC)c1ccc(F)c(F)c1 ZINC000926206310 638741000 /nfs/dbraw/zinc/74/10/00/638741000.db2.gz MDONCKMAVQEDGW-HUUCEWRRSA-N 1 1 297.345 3.323 20 30 CGEDMO C[C@@H](NCC1(C#N)CCCC1)c1cccc(C[NH+](C)C)c1 ZINC000926875489 638819992 /nfs/dbraw/zinc/81/99/92/638819992.db2.gz ZVJMZESGXDTDOU-OAHLLOKOSA-N 1 1 285.435 3.483 20 30 CGEDMO CC[C@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1cccc(C#N)c1 ZINC000927107739 638842960 /nfs/dbraw/zinc/84/29/60/638842960.db2.gz JDGHZTGUFIXXND-KRWDZBQOSA-N 1 1 294.402 3.410 20 30 CGEDMO N#Cc1cncc(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)c1 ZINC000929322341 638918510 /nfs/dbraw/zinc/91/85/10/638918510.db2.gz IKSXOJDSBUSXSJ-SFHVURJKSA-N 1 1 295.361 3.299 20 30 CGEDMO C=CCN(Cc1[nH]c(C)[nH+]c1C)Cc1cccc(C#N)c1 ZINC000929363289 638921363 /nfs/dbraw/zinc/92/13/63/638921363.db2.gz DLMURPDEBPBRTE-UHFFFAOYSA-N 1 1 280.375 3.086 20 30 CGEDMO N#Cc1cncc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC000929528282 638930788 /nfs/dbraw/zinc/93/07/88/638930788.db2.gz AKYHZSKXFRCGGR-INIZCTEOSA-N 1 1 281.334 3.082 20 30 CGEDMO N#Cc1cncc(C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c1 ZINC000929676377 638940053 /nfs/dbraw/zinc/94/00/53/638940053.db2.gz ORKAEQKLWJOFQM-OAHLLOKOSA-N 1 1 295.361 3.157 20 30 CGEDMO Cc1ccc([C@@H]2[C@H](C)CCC[N@H+]2C[C@H](O)CC#N)cc1 ZINC000929686666 638941042 /nfs/dbraw/zinc/94/10/42/638941042.db2.gz COGUGFLGXFSWIM-OIISXLGYSA-N 1 1 272.392 3.043 20 30 CGEDMO CC[C@H](O)[C@H]1CCCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000929684634 638941118 /nfs/dbraw/zinc/94/11/18/638941118.db2.gz JKQNOZRJOXMDEK-CVEARBPZSA-N 1 1 278.440 3.476 20 30 CGEDMO C[C@H](O)C[N@H+](Cc1ccccc1)CC1CCC(C#N)CC1 ZINC000929702247 638942823 /nfs/dbraw/zinc/94/28/23/638942823.db2.gz OGPUWRFEBNAXTE-HJOIGYKYSA-N 1 1 286.419 3.199 20 30 CGEDMO C[N@@H+](CC1CCC(C#N)CC1)[C@H](CCO)c1ccccc1 ZINC000929725704 638945489 /nfs/dbraw/zinc/94/54/89/638945489.db2.gz LEJUDOUPRDYPPO-LEOMRAHMSA-N 1 1 286.419 3.372 20 30 CGEDMO CCC[C@@H](C)[C@H]1CCC[N@H+]1Cc1cncc(C#N)c1 ZINC000929855277 638957566 /nfs/dbraw/zinc/95/75/66/638957566.db2.gz QAVPZLVMJOWALT-CZUORRHYSA-N 1 1 257.381 3.354 20 30 CGEDMO CC(C)[N@@H+](Cc1cncc(C#N)c1)C1CCCCC1 ZINC000929951784 638963947 /nfs/dbraw/zinc/96/39/47/638963947.db2.gz ZRSLCNJLINGOFF-UHFFFAOYSA-N 1 1 257.381 3.496 20 30 CGEDMO Cn1ccnc1[C@@H]1CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000930094248 638974042 /nfs/dbraw/zinc/97/40/42/638974042.db2.gz GFQWTULDIFQINI-OAHLLOKOSA-N 1 1 286.423 3.074 20 30 CGEDMO C[N@@H+](CCCCC1(C#N)CCC1)[C@@H]1CCSC1 ZINC000930095569 638974239 /nfs/dbraw/zinc/97/42/39/638974239.db2.gz YKZGFXSUWHCJHC-CYBMUJFWSA-N 1 1 252.427 3.288 20 30 CGEDMO N#CC1CCC(C[N@@H+](Cc2ccncc2)C2CC2)CC1 ZINC000930112094 638974852 /nfs/dbraw/zinc/97/48/52/638974852.db2.gz NUVJFYYXYFABEZ-UHFFFAOYSA-N 1 1 269.392 3.376 20 30 CGEDMO C#CCCCCCC[N@H+](C)[C@H](CC(N)=O)c1ccccc1 ZINC000930289664 638988865 /nfs/dbraw/zinc/98/88/65/638988865.db2.gz CULTZDCWGQLTKV-QGZVFWFLSA-N 1 1 286.419 3.119 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000930365593 638993183 /nfs/dbraw/zinc/99/31/83/638993183.db2.gz QUHKLXNPDAMDLX-CVEARBPZSA-N 1 1 290.794 3.355 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)CC1CC(C)C1 ZINC000930456053 639001303 /nfs/dbraw/zinc/00/13/03/639001303.db2.gz SMSQBYNOAAUUPQ-UHFFFAOYSA-N 1 1 263.381 3.196 20 30 CGEDMO CCCCCCC[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC000858682454 639011542 /nfs/dbraw/zinc/01/15/42/639011542.db2.gz LYQWEJILSJOBEF-AWEZNQCLSA-N 1 1 279.428 3.304 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000930623825 639039881 /nfs/dbraw/zinc/03/98/81/639039881.db2.gz VALPPPMRCSRDQT-QXAKKESOSA-N 1 1 298.430 3.301 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2c(C)cc(C#N)cc2C)C[C@H]1C ZINC000930638409 639042920 /nfs/dbraw/zinc/04/29/20/639042920.db2.gz NWOCEDNAUBQLIW-RHSMWYFYSA-N 1 1 272.392 3.032 20 30 CGEDMO COC/C(C)=C/C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000930765552 639065637 /nfs/dbraw/zinc/06/56/37/639065637.db2.gz ZSLVHQBLPDHEQC-CZAWJFPGSA-N 1 1 258.365 3.144 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](C[C@@H]2CCCC3(CCC3)O2)C1 ZINC000930815471 639071322 /nfs/dbraw/zinc/07/13/22/639071322.db2.gz CWLANILGICSIFD-CVEARBPZSA-N 1 1 261.409 3.214 20 30 CGEDMO CC[C@H]1C[N@@H+](CC2CCC(C#N)CC2)[C@@H](CC)CO1 ZINC000930852851 639077274 /nfs/dbraw/zinc/07/72/74/639077274.db2.gz PZZUNVFCVBROEN-CKUJCDMFSA-N 1 1 264.413 3.206 20 30 CGEDMO CCCCOC(=O)C(C)(C)[NH2+]CC1CCC(C#N)CC1 ZINC000930890317 639082503 /nfs/dbraw/zinc/08/25/03/639082503.db2.gz NCNWUGZTXUQSCN-UHFFFAOYSA-N 1 1 280.412 3.028 20 30 CGEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC000930978853 639094317 /nfs/dbraw/zinc/09/43/17/639094317.db2.gz FWNCUCIHDLCHAI-KRWDZBQOSA-N 1 1 299.418 3.115 20 30 CGEDMO C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C#N)c2)C[C@H](C)O1 ZINC000931021904 639099834 /nfs/dbraw/zinc/09/98/34/639099834.db2.gz QDCCAGZHEQWTJK-NEPJUHHUSA-N 1 1 278.783 3.211 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C[C@H](C)O1 ZINC000931021904 639099836 /nfs/dbraw/zinc/09/98/36/639099836.db2.gz QDCCAGZHEQWTJK-NEPJUHHUSA-N 1 1 278.783 3.211 20 30 CGEDMO C[C@H]1[C@@H](N(C)C)CC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000931046070 639102454 /nfs/dbraw/zinc/10/24/54/639102454.db2.gz SIKBMANMDURPPB-YOEHRIQHSA-N 1 1 285.435 3.012 20 30 CGEDMO C[C@H]1[C@@H](N(C)C)CC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000931046070 639102461 /nfs/dbraw/zinc/10/24/61/639102461.db2.gz SIKBMANMDURPPB-YOEHRIQHSA-N 1 1 285.435 3.012 20 30 CGEDMO Cc1ccc(O[C@H]2CC[N@@H+](CC3CCC(C#N)CC3)C2)nc1 ZINC000931271873 639129849 /nfs/dbraw/zinc/12/98/49/639129849.db2.gz OEKMITJVQNDWMZ-JCYILVPMSA-N 1 1 299.418 3.173 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(OC(C)=O)cc2)C1 ZINC000859445313 639142617 /nfs/dbraw/zinc/14/26/17/639142617.db2.gz FTKKELFBPYUITL-CQSZACIVSA-N 1 1 259.349 3.010 20 30 CGEDMO COc1ccc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)cc1C ZINC000931475848 639157675 /nfs/dbraw/zinc/15/76/75/639157675.db2.gz MZQCFAHFOGRKAM-GJZGRUSLSA-N 1 1 258.365 3.128 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)cc1C ZINC000931475848 639157679 /nfs/dbraw/zinc/15/76/79/639157679.db2.gz MZQCFAHFOGRKAM-GJZGRUSLSA-N 1 1 258.365 3.128 20 30 CGEDMO C=CCCCCC[N@H+]1CCc2nc[nH]c2C12CCC2 ZINC000931678053 639187493 /nfs/dbraw/zinc/18/74/93/639187493.db2.gz AFHGNAKSRWVORH-UHFFFAOYSA-N 1 1 259.397 3.393 20 30 CGEDMO C#CCC[N@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000859906153 639251812 /nfs/dbraw/zinc/25/18/12/639251812.db2.gz DRNKZBZYJJELMJ-UHFFFAOYSA-N 1 1 253.267 3.087 20 30 CGEDMO CC(C)CC(=O)CC[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000860108419 639282012 /nfs/dbraw/zinc/28/20/12/639282012.db2.gz ANOVUTZJVQLKFL-UHFFFAOYSA-N 1 1 284.403 3.116 20 30 CGEDMO C#CCCC[N@H+]([C@@H](C)COC)[C@@H]1CCc2ccccc21 ZINC000860111596 639284261 /nfs/dbraw/zinc/28/42/61/639284261.db2.gz NNLBRBDREZRGBB-MAUKXSAKSA-N 1 1 271.404 3.424 20 30 CGEDMO C#CC[N@H+](CCC(=O)Nc1ccccc1SC)C(C)C ZINC000932396578 639323829 /nfs/dbraw/zinc/32/38/29/639323829.db2.gz RMLMILOAAXGVAP-UHFFFAOYSA-N 1 1 290.432 3.081 20 30 CGEDMO Cc1csc(C[C@@H]2CC[N@@H+](CCCCC#N)C2)n1 ZINC000933131670 639421436 /nfs/dbraw/zinc/42/14/36/639421436.db2.gz QLNMUOVHOCYLAJ-ZDUSSCGKSA-N 1 1 263.410 3.010 20 30 CGEDMO C=CC1(CC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CCCCC1 ZINC000933487578 639453671 /nfs/dbraw/zinc/45/36/71/639453671.db2.gz BXZOUGHBUZNTHX-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCSC[C@@H]2C2CC2)c(F)c1 ZINC000933917732 639507936 /nfs/dbraw/zinc/50/79/36/639507936.db2.gz HXMDBYLHWJANPM-MRXNPFEDSA-N 1 1 290.407 3.415 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@H](Cc3nccs3)C2)c1 ZINC000934329632 639585577 /nfs/dbraw/zinc/58/55/77/639585577.db2.gz IHEUQMGGWSQHPZ-OAHLLOKOSA-N 1 1 283.400 3.079 20 30 CGEDMO COc1ccc([C@H]2CCC[N@@H+]2CC#Cc2ccccc2)nc1 ZINC000934343534 639591227 /nfs/dbraw/zinc/59/12/27/639591227.db2.gz MVWGUFYGUVARJL-LJQANCHMSA-N 1 1 292.382 3.279 20 30 CGEDMO COc1ccc([C@H]2CCC[N@H+]2CC#Cc2ccccc2)nc1 ZINC000934343534 639591238 /nfs/dbraw/zinc/59/12/38/639591238.db2.gz MVWGUFYGUVARJL-LJQANCHMSA-N 1 1 292.382 3.279 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1[C@H](C)C(=O)Nc1cc(F)ccc1C ZINC000934473462 639617448 /nfs/dbraw/zinc/61/74/48/639617448.db2.gz YNXZSXGAUFHPPD-TZMCWYRMSA-N 1 1 276.355 3.112 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1cc(F)ccc1C ZINC000934473462 639617451 /nfs/dbraw/zinc/61/74/51/639617451.db2.gz YNXZSXGAUFHPPD-TZMCWYRMSA-N 1 1 276.355 3.112 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCOC[C@@]1(C)C1CC1 ZINC000934479759 639618065 /nfs/dbraw/zinc/61/80/65/639618065.db2.gz LDLGELOXVLKUCY-IBGZPJMESA-N 1 1 298.430 3.489 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCOC[C@@]1(C)C1CC1 ZINC000934480290 639618963 /nfs/dbraw/zinc/61/89/63/639618963.db2.gz XGZCLFBXHDCXNW-INIZCTEOSA-N 1 1 264.413 3.207 20 30 CGEDMO C#C[C@@H]1CCCC[N@H+]1CCCc1nc(-c2ccccc2)no1 ZINC000934510216 639623351 /nfs/dbraw/zinc/62/33/51/639623351.db2.gz VHCKBNKTXSLOLN-MRXNPFEDSA-N 1 1 295.386 3.157 20 30 CGEDMO C[C@H]([NH2+]Cc1ccccc1C#N)c1cnn(CC2CCC2)c1 ZINC000934552480 639630528 /nfs/dbraw/zinc/63/05/28/639630528.db2.gz PSHCAJXXCZISJY-AWEZNQCLSA-N 1 1 294.402 3.406 20 30 CGEDMO C=CCCC[N@H+](CC)CCC(=O)Nc1sccc1C#N ZINC000934645939 639647971 /nfs/dbraw/zinc/64/79/71/639647971.db2.gz LDKMONZRPQRWDM-UHFFFAOYSA-N 1 1 291.420 3.236 20 30 CGEDMO C=CCCC[N@@H+](CC)Cc1nc(C(C)C)ns1 ZINC000934646148 639648974 /nfs/dbraw/zinc/64/89/74/639648974.db2.gz DKASMMGDGXFZKZ-UHFFFAOYSA-N 1 1 253.415 3.450 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1nc(C(C)C)ns1 ZINC000934646148 639648979 /nfs/dbraw/zinc/64/89/79/639648979.db2.gz DKASMMGDGXFZKZ-UHFFFAOYSA-N 1 1 253.415 3.450 20 30 CGEDMO Cc1ccc(C[N@H+]2C[C@@H]3CSC[C@]3(C)C2)cc1C#N ZINC000934768088 639672595 /nfs/dbraw/zinc/67/25/95/639672595.db2.gz ABQIUWKKYRBCMF-CVEARBPZSA-N 1 1 272.417 3.052 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000934831700 639682856 /nfs/dbraw/zinc/68/28/56/639682856.db2.gz JMFJKNWTGKOHOZ-RTBURBONSA-N 1 1 298.430 3.391 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000935963497 639875115 /nfs/dbraw/zinc/87/51/15/639875115.db2.gz OALJCLGNMFSEFN-HNNXBMFYSA-N 1 1 292.423 3.162 20 30 CGEDMO C[C@H]1CCC[C@](CNCc2ccc(C#N)cc2)([NH+](C)C)C1 ZINC000040668385 639896086 /nfs/dbraw/zinc/89/60/86/639896086.db2.gz UDBSDBUBMZEOSU-YJBOKZPZSA-N 1 1 285.435 3.158 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000192043023 640346419 /nfs/dbraw/zinc/34/64/19/640346419.db2.gz GDAUQQDGMZVGRA-QGZVFWFLSA-N 1 1 282.472 3.144 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000245503505 640622477 /nfs/dbraw/zinc/62/24/77/640622477.db2.gz IELXCZUSFXXPRT-ZIAGYGMSSA-N 1 1 258.365 3.209 20 30 CGEDMO C=CCn1c(C)nn(C[N@@H+](C)[C@H]2CCC[C@@H](C)C2)c1=S ZINC000248741116 640778751 /nfs/dbraw/zinc/77/87/51/640778751.db2.gz ATXBCSBFFPZITG-OCCSQVGLSA-N 1 1 294.468 3.377 20 30 CGEDMO C=CCn1c(C)nn(C[N@H+](C)[C@H]2CCC[C@@H](C)C2)c1=S ZINC000248741116 640778755 /nfs/dbraw/zinc/77/87/55/640778755.db2.gz ATXBCSBFFPZITG-OCCSQVGLSA-N 1 1 294.468 3.377 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001007024861 640938075 /nfs/dbraw/zinc/93/80/75/640938075.db2.gz FVOVYHMGGLVSNK-AWEZNQCLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+](CC=C(C)C)C2)CC1 ZINC001008421254 640950663 /nfs/dbraw/zinc/95/06/63/640950663.db2.gz XVJWAZJAWJFCSC-QGZVFWFLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CCC(=C)C)C2)cc1 ZINC001008625548 640953844 /nfs/dbraw/zinc/95/38/44/640953844.db2.gz ZBWNXZNJVJHKCL-GOSISDBHSA-N 1 1 298.430 3.490 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C23CCC(CC2)CC3)C1 ZINC001009608850 640960733 /nfs/dbraw/zinc/96/07/33/640960733.db2.gz HDNHICRLRBSQPQ-UPTPFMHGSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CCC)C1 ZINC001015208555 640978480 /nfs/dbraw/zinc/97/84/80/640978480.db2.gz LDOSNNLQNUMRMV-MRXNPFEDSA-N 1 1 286.419 3.019 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C)cc2Cl)C1 ZINC001015741115 640985919 /nfs/dbraw/zinc/98/59/19/640985919.db2.gz FVFYNVUESGREMO-CYBMUJFWSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2c(C)csc2Cl)C1 ZINC001016109189 640993101 /nfs/dbraw/zinc/99/31/01/640993101.db2.gz AUBLIKASGCJVKS-LLVKDONJSA-N 1 1 298.839 3.090 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[C@@H]1C ZINC001017578933 641013348 /nfs/dbraw/zinc/01/33/48/641013348.db2.gz XTRLVJSJBPEUIZ-VVLHAWIVSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C1CC1 ZINC001017830379 641017783 /nfs/dbraw/zinc/01/77/83/641017783.db2.gz HESDPTKKCYENLT-IYBDPMFKSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1ccsc1Cl ZINC001155644552 805598221 /nfs/dbraw/zinc/59/82/21/805598221.db2.gz FPLNZXJUXYJDEY-SNVBAGLBSA-N 1 1 286.828 3.028 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)C1CCCCC1 ZINC001155801918 805612294 /nfs/dbraw/zinc/61/22/94/805612294.db2.gz BHQGAVISTDHJDL-JKSUJKDBSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1cccc(C(C)C)c1 ZINC001156183211 805664152 /nfs/dbraw/zinc/66/41/52/805664152.db2.gz VADXEDLZFLBCLK-OAHLLOKOSA-N 1 1 288.435 3.436 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](CCCC)C(C)C ZINC001157159187 805786339 /nfs/dbraw/zinc/78/63/39/805786339.db2.gz WQOOKGIDKYMKTG-SJORKVTESA-N 1 1 294.483 3.299 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCC=C ZINC001157711597 805856088 /nfs/dbraw/zinc/85/60/88/805856088.db2.gz VJHOINYLWOCXMO-MRXNPFEDSA-N 1 1 278.440 3.232 20 30 CGEDMO CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)CCCC ZINC001157908146 805902356 /nfs/dbraw/zinc/90/23/56/805902356.db2.gz LRTGWTIQHHVNBT-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO C#CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC=C(C)C ZINC001157908692 805902631 /nfs/dbraw/zinc/90/26/31/805902631.db2.gz YBUYDTFCHSFCMC-QGZVFWFLSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C[N@H+](C)CC ZINC001157994107 805911580 /nfs/dbraw/zinc/91/15/80/805911580.db2.gz HZMDHIFLUCDDNQ-MRXNPFEDSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CCC1 ZINC001158419652 805952755 /nfs/dbraw/zinc/95/27/55/805952755.db2.gz VBPLIMWXTCVUEF-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO CCCCCCC[N@@H+](C)C[C@H](O)COc1ccc(F)cc1 ZINC001251928304 805954346 /nfs/dbraw/zinc/95/43/46/805954346.db2.gz SLKVNDYGIGXPDR-INIZCTEOSA-N 1 1 297.414 3.468 20 30 CGEDMO C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)CC(C)C ZINC001158674096 805982774 /nfs/dbraw/zinc/98/27/74/805982774.db2.gz TWYZDARYKAPMJT-DLBZAZTESA-N 1 1 292.467 3.005 20 30 CGEDMO C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](CC)CC(C)C ZINC001158723557 805990147 /nfs/dbraw/zinc/99/01/47/805990147.db2.gz DAMMCLCZJGMSNY-IAGOWNOFSA-N 1 1 292.467 3.005 20 30 CGEDMO Cc1ccc(CC#N)c(N2Cc3cnc(Cl)cc3C2)[nH+]1 ZINC001158758182 805998635 /nfs/dbraw/zinc/99/86/35/805998635.db2.gz ZWIHOQBORLZAOZ-UHFFFAOYSA-N 1 1 284.750 3.025 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@H+](C)C2CCCCC2)cc1 ZINC001158767783 806001897 /nfs/dbraw/zinc/00/18/97/806001897.db2.gz RMTIFMCHHJSMLW-UHFFFAOYSA-N 1 1 284.403 3.261 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@@H](C(C)=O)C1 ZINC001252130231 806015209 /nfs/dbraw/zinc/01/52/09/806015209.db2.gz NWIJEXJHVKADBA-IAGOWNOFSA-N 1 1 283.456 3.399 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+](CCOC)C(C)C ZINC001252129051 806015989 /nfs/dbraw/zinc/01/59/89/806015989.db2.gz VPBYPVLYEDTZQE-MRXNPFEDSA-N 1 1 273.461 3.455 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@@H]1C(C)(C)O ZINC001252130852 806018650 /nfs/dbraw/zinc/01/86/50/806018650.db2.gz ZEVXZUHRMOWRST-JKSUJKDBSA-N 1 1 285.472 3.333 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCOC[C@@H]1C1CC1 ZINC001252133776 806020290 /nfs/dbraw/zinc/02/02/90/806020290.db2.gz SIJZVGMULIFGOV-IAGOWNOFSA-N 1 1 283.456 3.209 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCOC[C@H]1C1CC1 ZINC001252133779 806021302 /nfs/dbraw/zinc/02/13/02/806021302.db2.gz SIJZVGMULIFGOV-IRXDYDNUSA-N 1 1 283.456 3.209 20 30 CGEDMO C=CCOC[C@H](O)C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC001252464796 806049049 /nfs/dbraw/zinc/04/90/49/806049049.db2.gz AFNIJXGTSJTOLB-HZPDHXFCSA-N 1 1 295.810 3.040 20 30 CGEDMO Cc1c[nH+]c(NCc2ccc(C#N)s2)nc1NC(C)C ZINC001159172066 806055894 /nfs/dbraw/zinc/05/58/94/806055894.db2.gz BRHSRJRCWKFRGV-UHFFFAOYSA-N 1 1 287.392 3.151 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+](CC)Cc1c(F)cccc1Cl ZINC001252556725 806063129 /nfs/dbraw/zinc/06/31/29/806063129.db2.gz FYZIPJJNHXKBLK-CQSZACIVSA-N 1 1 271.763 3.238 20 30 CGEDMO C=C[C@@](C)(O)C[N@@H+](CC)Cc1c(F)cccc1Cl ZINC001252556725 806063139 /nfs/dbraw/zinc/06/31/39/806063139.db2.gz FYZIPJJNHXKBLK-CQSZACIVSA-N 1 1 271.763 3.238 20 30 CGEDMO C=C[C@@](C)(O)C[N@@H+](CC)Cc1ccc(Cl)cc1 ZINC001252560979 806066712 /nfs/dbraw/zinc/06/67/12/806066712.db2.gz WZMKBYFJANDPIT-CQSZACIVSA-N 1 1 253.773 3.099 20 30 CGEDMO C=C[C@](C)(O)C[N@@H+](CC)Cc1cccc(Cl)c1 ZINC001252559268 806066798 /nfs/dbraw/zinc/06/67/98/806066798.db2.gz UVJNNYHWRMGYDI-AWEZNQCLSA-N 1 1 253.773 3.099 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC2(C)C)CC1 ZINC001159828380 806181739 /nfs/dbraw/zinc/18/17/39/806181739.db2.gz YPABSIRYJLXPOK-MRXNPFEDSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCN2CCCC[C@H]2C1 ZINC001253239571 806190612 /nfs/dbraw/zinc/19/06/12/806190612.db2.gz NXFDZYUIZXPIIW-ROUUACIJSA-N 1 1 294.483 3.044 20 30 CGEDMO C=CCCCCCC[C@H](O)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC001253239571 806190614 /nfs/dbraw/zinc/19/06/14/806190614.db2.gz NXFDZYUIZXPIIW-ROUUACIJSA-N 1 1 294.483 3.044 20 30 CGEDMO C=CCCCCCC[C@H](O)CN1CC[N@H+]2CCCC[C@H]2C1 ZINC001253239571 806190617 /nfs/dbraw/zinc/19/06/17/806190617.db2.gz NXFDZYUIZXPIIW-ROUUACIJSA-N 1 1 294.483 3.044 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCc2cccnc2C1 ZINC001253240985 806191640 /nfs/dbraw/zinc/19/16/40/806191640.db2.gz QCHXQKNKNQBLLR-KRWDZBQOSA-N 1 1 288.435 3.327 20 30 CGEDMO Cc1ccc(CC#N)c(N[C@H]2CCc3ccc(O)cc3C2)[nH+]1 ZINC001159895758 806192995 /nfs/dbraw/zinc/19/29/95/806192995.db2.gz KLZCNAJTXPTVCW-INIZCTEOSA-N 1 1 293.370 3.131 20 30 CGEDMO C=C(Cl)C[N@H+]1CC=C(CCNC(=O)C[C@@H](C)CC)CC1 ZINC001159940452 806201927 /nfs/dbraw/zinc/20/19/27/806201927.db2.gz ODHWBNYHHMEPDL-ZDUSSCGKSA-N 1 1 298.858 3.314 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)C[C@@H](C)CC)CC1 ZINC001159940452 806201932 /nfs/dbraw/zinc/20/19/32/806201932.db2.gz ODHWBNYHHMEPDL-ZDUSSCGKSA-N 1 1 298.858 3.314 20 30 CGEDMO C=C[C@@H](O)C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC001253582592 806263117 /nfs/dbraw/zinc/26/31/17/806263117.db2.gz QOJPPGXQETZVTF-KGLIPLIRSA-N 1 1 251.757 3.024 20 30 CGEDMO C=C[C@H](O)C[N@H+]1CCC[C@@H]1c1ccc(Cl)s1 ZINC001253580218 806263928 /nfs/dbraw/zinc/26/39/28/806263928.db2.gz WVRAGTODSBVWIG-VHSXEESVSA-N 1 1 257.786 3.085 20 30 CGEDMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1cc(C#N)cc(Cl)n1)C2 ZINC001160465551 806276121 /nfs/dbraw/zinc/27/61/21/806276121.db2.gz KEXUITLIMWKZPY-XYYAHUGASA-N 1 1 290.798 3.034 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)C(CC)CC)CC1 ZINC001160550761 806283955 /nfs/dbraw/zinc/28/39/55/806283955.db2.gz CWWIWQILMHTJAE-HNNXBMFYSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCCC1=CC[N@@H+](CCC)CC1 ZINC001160861213 806310979 /nfs/dbraw/zinc/31/09/79/806310979.db2.gz QTTYEDMAKDHSJS-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1cc(Cl)nc(C2CC2)n1 ZINC001160952827 806325899 /nfs/dbraw/zinc/32/58/99/806325899.db2.gz CZURBVFJAHWCRN-LBPRGKRZSA-N 1 1 292.814 3.070 20 30 CGEDMO C=C[C@@H](C)[C@H](C)C(=O)NCCC1=CC[N@@H+](CC(C)C)CC1 ZINC001160941818 806327418 /nfs/dbraw/zinc/32/74/18/806327418.db2.gz QQDFKCKCTINNGV-CVEARBPZSA-N 1 1 292.467 3.239 20 30 CGEDMO Cc1nc(NCC[C@H]2CCC[N@@H+]2C)c(C#N)c(C)c1Cl ZINC001160966735 806331645 /nfs/dbraw/zinc/33/16/45/806331645.db2.gz YHXWHYOHJYGWTR-GFCCVEGCSA-N 1 1 292.814 3.120 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1nccc2ccc(F)cc21 ZINC001160953871 806328546 /nfs/dbraw/zinc/32/85/46/806328546.db2.gz KVCSOSRLQLHTSR-HNNXBMFYSA-N 1 1 285.366 3.436 20 30 CGEDMO C=C[C@H](CC)CC(=O)NCCC1=CC[N@@H+](CC(C)C)CC1 ZINC001160967431 806330977 /nfs/dbraw/zinc/33/09/77/806330977.db2.gz ISUKITLPXNNTNQ-MRXNPFEDSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCN(C(=O)c1cnc([C@@H](C)[NH3+])s1)C1CCCCC1 ZINC001161247662 806359974 /nfs/dbraw/zinc/35/99/74/806359974.db2.gz KIMYYNPRSVOUSG-LLVKDONJSA-N 1 1 293.436 3.124 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)CCCC(C)C)CC1 ZINC001161301827 806364201 /nfs/dbraw/zinc/36/42/01/806364201.db2.gz ZVMCZURWGXWIHM-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCC(C)(C)C(=O)NCCC1=CC[N@@H+](CCCF)CC1 ZINC001161336690 806367949 /nfs/dbraw/zinc/36/79/49/806367949.db2.gz XNXWRXKXQBVUBE-UHFFFAOYSA-N 1 1 296.430 3.087 20 30 CGEDMO CC1(C)C[C@@H](CNc2[nH+]ccc3[nH]cc(C#N)c32)CCO1 ZINC001161428931 806379100 /nfs/dbraw/zinc/37/91/00/806379100.db2.gz OHSYWRFIMUSAIR-NSHDSACASA-N 1 1 284.363 3.052 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)CC[C@H](C)CC)CC1 ZINC001161524943 806386835 /nfs/dbraw/zinc/38/68/35/806386835.db2.gz WFATUCAIYZFWHA-OAHLLOKOSA-N 1 1 278.440 3.137 20 30 CGEDMO CCCCCCC[N@@H+](CC)C1CCN(C(C)=O)CC1 ZINC001254425039 806394750 /nfs/dbraw/zinc/39/47/50/806394750.db2.gz CHAOHVXXQRZJTH-UHFFFAOYSA-N 1 1 268.445 3.290 20 30 CGEDMO C[N@H+]1CCC[C@H](N[C@](C)(C#N)c2ccccc2Cl)CC1 ZINC001254506636 806427608 /nfs/dbraw/zinc/42/76/08/806427608.db2.gz VZDSVNUEQIKEDU-XJKSGUPXSA-N 1 1 291.826 3.153 20 30 CGEDMO COc1ccccc1[C@H](C)[N@@H+](C)[C@H]1CC[C@@H](C#N)C1 ZINC001254668224 806479234 /nfs/dbraw/zinc/47/92/34/806479234.db2.gz FLRXYRSYCBCLOA-MJBXVCDLSA-N 1 1 258.365 3.380 20 30 CGEDMO CC[N@@H+](Cc1cccc(F)c1F)[C@@H]1CC[C@@H](C#N)C1 ZINC001254670287 806479796 /nfs/dbraw/zinc/47/97/96/806479796.db2.gz AICAUKWRPALPGT-DGCLKSJQSA-N 1 1 264.319 3.479 20 30 CGEDMO CC[N@@H+]([C@@H]1CC[C@H](C#N)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001254670382 806481581 /nfs/dbraw/zinc/48/15/81/806481581.db2.gz JAVFMNOFQWTBKR-IPMKNSEASA-N 1 1 297.446 3.275 20 30 CGEDMO CCN([C@@H]1CC[C@H](C#N)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001254670382 806481591 /nfs/dbraw/zinc/48/15/91/806481591.db2.gz JAVFMNOFQWTBKR-IPMKNSEASA-N 1 1 297.446 3.275 20 30 CGEDMO CCN([C@@H]1CC[C@H](C#N)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001254670382 806481595 /nfs/dbraw/zinc/48/15/95/806481595.db2.gz JAVFMNOFQWTBKR-IPMKNSEASA-N 1 1 297.446 3.275 20 30 CGEDMO COc1ccccc1C[C@H](C)[N@@H+](C)[C@@H]1CC[C@@H](C#N)C1 ZINC001254673658 806483304 /nfs/dbraw/zinc/48/33/04/806483304.db2.gz MVHKGHVSMQNOTN-SQWLQELKSA-N 1 1 272.392 3.250 20 30 CGEDMO C=CC[N@@H+](C1CCCCC1)[C@H]1CC2CCN(CC2)C1 ZINC001254867833 806503839 /nfs/dbraw/zinc/50/38/39/806503839.db2.gz MBWICJODISDFND-KRWDZBQOSA-N 1 1 262.441 3.291 20 30 CGEDMO C#CC[N@H+](Cc1ccc2c(c1)COC(C)(C)O2)CC1CC1 ZINC001255026435 806528005 /nfs/dbraw/zinc/52/80/05/806528005.db2.gz VECKMSIPWRJUNO-UHFFFAOYSA-N 1 1 285.387 3.177 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@@H+](C1Cc3ccccc3C1)CC2 ZINC001255020123 806528866 /nfs/dbraw/zinc/52/88/66/806528866.db2.gz OWHGPKSWURNLLC-UHFFFAOYSA-N 1 1 274.367 3.084 20 30 CGEDMO N#CCC1CN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255136621 806552510 /nfs/dbraw/zinc/55/25/10/806552510.db2.gz MSFBIERIORUXLF-BWTSREIZSA-N 1 1 295.430 3.027 20 30 CGEDMO CC[C@H](CC#N)[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC001255153040 806555251 /nfs/dbraw/zinc/55/52/51/806555251.db2.gz OTQIMCYRUDSSKK-KGLIPLIRSA-N 1 1 266.772 3.045 20 30 CGEDMO CC[C@H](CC#N)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001255167756 806564666 /nfs/dbraw/zinc/56/46/66/806564666.db2.gz GYQNTYJLQKMEFU-MRXNPFEDSA-N 1 1 275.440 3.019 20 30 CGEDMO CC[C@@H](CC#N)[N@@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001255167990 806565442 /nfs/dbraw/zinc/56/54/42/806565442.db2.gz LQYGEFJJLMGTKS-ZDUSSCGKSA-N 1 1 295.427 3.010 20 30 CGEDMO CC[C@H](CC#N)[N@H+]1CCC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001255172844 806566039 /nfs/dbraw/zinc/56/60/39/806566039.db2.gz GXFQMKAMHWKKOZ-UONOGXRCSA-N 1 1 295.427 3.058 20 30 CGEDMO CC[C@@H](CC#N)[N@H+](Cc1cccc(OC)c1)[C@@H](C)COC ZINC001255175598 806569037 /nfs/dbraw/zinc/56/90/37/806569037.db2.gz RTYWYISQZDZGHW-HOCLYGCPSA-N 1 1 290.407 3.224 20 30 CGEDMO CC[C@@H](CC#N)[N@@H+](Cc1cccc(OC)c1)[C@@H](C)COC ZINC001255175598 806569040 /nfs/dbraw/zinc/56/90/40/806569040.db2.gz RTYWYISQZDZGHW-HOCLYGCPSA-N 1 1 290.407 3.224 20 30 CGEDMO CC[C@H](CC#N)[N@@H+]1CCC[C@@H]1c1cccc(C(=O)OC)c1 ZINC001255177808 806570020 /nfs/dbraw/zinc/57/00/20/806570020.db2.gz WZTCSEMBCJQHKU-HZPDHXFCSA-N 1 1 286.375 3.302 20 30 CGEDMO CC[C@H](CC#N)[N@H+]1CCC[C@@H]1c1cccc(C(=O)OC)c1 ZINC001255177808 806570029 /nfs/dbraw/zinc/57/00/29/806570029.db2.gz WZTCSEMBCJQHKU-HZPDHXFCSA-N 1 1 286.375 3.302 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001255244485 806582404 /nfs/dbraw/zinc/58/24/04/806582404.db2.gz MCSLXQZEORWKEO-BTTYYORXSA-N 1 1 280.412 3.035 20 30 CGEDMO C=CCC[NH2+][C@H]1CCCN(Cc2ccccc2)CC1 ZINC001255384954 806630316 /nfs/dbraw/zinc/63/03/16/806630316.db2.gz CSAMJLHPYLBSPF-KRWDZBQOSA-N 1 1 258.409 3.207 20 30 CGEDMO CCCC#Cc1nnc([C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255445878 806641439 /nfs/dbraw/zinc/64/14/39/806641439.db2.gz PRGFNFVUYIQQBN-INIZCTEOSA-N 1 1 295.386 3.211 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](C2CCC(C(F)(F)F)CC2)C1 ZINC001255521966 806661238 /nfs/dbraw/zinc/66/12/38/806661238.db2.gz KTWQVAVGSWXHBB-MCIGGMRASA-N 1 1 260.303 3.343 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](C2CCC(C(F)(F)F)CC2)C1 ZINC001255521966 806661243 /nfs/dbraw/zinc/66/12/43/806661243.db2.gz KTWQVAVGSWXHBB-MCIGGMRASA-N 1 1 260.303 3.343 20 30 CGEDMO COC[C@H](C)[N@@H+](CCC#N)C1CCCCCCC1 ZINC001255575600 806676692 /nfs/dbraw/zinc/67/66/92/806676692.db2.gz BEXZTBYCPJYCCI-AWEZNQCLSA-N 1 1 252.402 3.350 20 30 CGEDMO COc1cccc2c1OC[C@H]2Nc1[nH+]c(C)ccc1CC#N ZINC001163231374 806731617 /nfs/dbraw/zinc/73/16/17/806731617.db2.gz XQUDGJKRFBLZJW-CQSZACIVSA-N 1 1 295.342 3.010 20 30 CGEDMO COc1cccc2c1OC[C@@H]2Nc1[nH+]c(C)ccc1CC#N ZINC001163231372 806731693 /nfs/dbraw/zinc/73/16/93/806731693.db2.gz XQUDGJKRFBLZJW-AWEZNQCLSA-N 1 1 295.342 3.010 20 30 CGEDMO CC[C@@H](CC#N)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383074532 799400105 /nfs/dbraw/zinc/40/01/05/799400105.db2.gz SMONXKWIJZRMRZ-MSOLQXFVSA-N 1 1 285.435 3.133 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](Nc2nccc(Cl)c2C#N)[C@H](C)C1 ZINC001163360090 806746547 /nfs/dbraw/zinc/74/65/47/806746547.db2.gz BOXAFRLYQQWVBH-BXUZGUMPSA-N 1 1 292.814 3.137 20 30 CGEDMO C#C[C@](C)(CC)[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000384159161 799413118 /nfs/dbraw/zinc/41/31/18/799413118.db2.gz JEGNTEJPXLBGNZ-CQSZACIVSA-N 1 1 250.411 3.332 20 30 CGEDMO C#CCCC1(CCNc2cc(CCC)[nH+]c(C)n2)N=N1 ZINC001163379720 806754457 /nfs/dbraw/zinc/75/44/57/806754457.db2.gz CDUQJZIFLJCLHQ-UHFFFAOYSA-N 1 1 271.368 3.115 20 30 CGEDMO N#Cc1ccc(OCCC[N@H+]2C[C@@H]3CCCC[C@@H]32)cc1 ZINC000706794551 799966596 /nfs/dbraw/zinc/96/65/96/799966596.db2.gz HFNQNVBNEAASMU-RDJZCZTQSA-N 1 1 270.376 3.202 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@@H](c3nccs3)C2)ccc1F ZINC000710457494 800034715 /nfs/dbraw/zinc/03/47/15/800034715.db2.gz SWLWVZGTLLSJHO-GFCCVEGCSA-N 1 1 287.363 3.143 20 30 CGEDMO C#CCC[C@@H](O)CNc1cc[nH+]c2cc(Cl)ccc12 ZINC000717952477 800208731 /nfs/dbraw/zinc/20/87/31/800208731.db2.gz GOCDOHQLUWUYFF-GFCCVEGCSA-N 1 1 274.751 3.074 20 30 CGEDMO CC(C)[C@@H]1CCC[N@@H+](Cc2cncc(C#N)c2)CC1 ZINC000721562258 800294344 /nfs/dbraw/zinc/29/43/44/800294344.db2.gz UUJXUEZFJGYNEN-MRXNPFEDSA-N 1 1 257.381 3.211 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)Cc2ccccc2OC)cc1 ZINC000809537891 800443542 /nfs/dbraw/zinc/44/35/42/800443542.db2.gz GFVUMNFBUSIIGR-UHFFFAOYSA-N 1 1 265.356 3.309 20 30 CGEDMO CC(C)[C@@H](C#N)c1ccc(N[C@H]2CC[N@@H+](C)C2)cc1 ZINC001167278791 807175513 /nfs/dbraw/zinc/17/55/13/807175513.db2.gz SGKPPZXAKYFELC-JKSUJKDBSA-N 1 1 257.381 3.066 20 30 CGEDMO Cc1cccc([C@@H](O)C[N@H+](C)Cc2cc(C#N)cs2)c1 ZINC000933770856 800675947 /nfs/dbraw/zinc/67/59/47/800675947.db2.gz UIHUAVMXZBJTAO-INIZCTEOSA-N 1 1 286.400 3.094 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2C)C1 ZINC001023204856 800706921 /nfs/dbraw/zinc/70/69/21/800706921.db2.gz CSLVCFBQKUZWAY-INIZCTEOSA-N 1 1 286.419 3.013 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC2(C)C)C1 ZINC001023535102 800711952 /nfs/dbraw/zinc/71/19/52/800711952.db2.gz GIDJXEBPVNNHAO-UONOGXRCSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC2(C)C)C1 ZINC001023535102 800711954 /nfs/dbraw/zinc/71/19/54/800711954.db2.gz GIDJXEBPVNNHAO-UONOGXRCSA-N 1 1 298.858 3.003 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](CNC(=O)c2cccc(C3CC3)c2)C1 ZINC001023768922 800715764 /nfs/dbraw/zinc/71/57/64/800715764.db2.gz VSCMYONZRCBBMM-OAHLLOKOSA-N 1 1 298.430 3.192 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1sccc1F ZINC001024426683 800727698 /nfs/dbraw/zinc/72/76/98/800727698.db2.gz CRJDBAQPOPZJQO-GFCCVEGCSA-N 1 1 296.411 3.048 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC001024607517 800732209 /nfs/dbraw/zinc/73/22/09/800732209.db2.gz CVAQBAJVGJNRQI-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO Cc1cc(NC[C@@H]2CC[N@H+]2C2CCCCCC2)ncc1C#N ZINC001163942369 806856035 /nfs/dbraw/zinc/85/60/35/806856035.db2.gz VJZCTTRYSCKZEF-KRWDZBQOSA-N 1 1 298.434 3.471 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001024664826 800733484 /nfs/dbraw/zinc/73/34/84/800733484.db2.gz XOZSOIWIAPYRFV-IXDOHACOSA-N 1 1 292.467 3.215 20 30 CGEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C(C)C)cc1 ZINC001024771431 800735956 /nfs/dbraw/zinc/73/59/56/800735956.db2.gz GVTPEOJMUSLWCH-GOSISDBHSA-N 1 1 298.430 3.028 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C=C1CCC1 ZINC001025217752 800749827 /nfs/dbraw/zinc/74/98/27/800749827.db2.gz FOSAIFJKIOPCJS-IRXDYDNUSA-N 1 1 288.435 3.128 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2CCCCC2)C1 ZINC001025320376 800755403 /nfs/dbraw/zinc/75/54/03/800755403.db2.gz LMKFRBRVVCNTEX-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CCC(=C)CC2)C1 ZINC001025525109 800762235 /nfs/dbraw/zinc/76/22/35/800762235.db2.gz YBVLKODSLZJFIT-DOTOQJQBSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)CC2CC2)C1 ZINC001027424568 800794925 /nfs/dbraw/zinc/79/49/25/800794925.db2.gz AXODDUMIGRUNGC-CQSZACIVSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)C(C)=C2CCC2)C1 ZINC001027403482 800795109 /nfs/dbraw/zinc/79/51/09/800795109.db2.gz KFOTWZBTFZWWBT-OAHLLOKOSA-N 1 1 296.842 3.162 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)C(C)=C2CCC2)C1 ZINC001027403482 800795110 /nfs/dbraw/zinc/79/51/10/800795110.db2.gz KFOTWZBTFZWWBT-OAHLLOKOSA-N 1 1 296.842 3.162 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C[C@H]2C=CCCC2)C1 ZINC001027460530 800796930 /nfs/dbraw/zinc/79/69/30/800796930.db2.gz KESWIAFOAPTRHK-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C[C@H]2C=CCCC2)C1 ZINC001027460532 800796985 /nfs/dbraw/zinc/79/69/85/800796985.db2.gz KESWIAFOAPTRHK-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1csc(C)c1C ZINC001027906178 800825170 /nfs/dbraw/zinc/82/51/70/800825170.db2.gz KPIBGBMTHMAAKP-AWEZNQCLSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC=CCCC1 ZINC001027966803 800828423 /nfs/dbraw/zinc/82/84/23/800828423.db2.gz LKFMGCKVDHQBBA-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccsc1Cl ZINC001028180566 800835113 /nfs/dbraw/zinc/83/51/13/800835113.db2.gz CASLMQAFYIVVJH-LLVKDONJSA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1csc(C)c1 ZINC001028205117 800835586 /nfs/dbraw/zinc/83/55/86/800835586.db2.gz HJHWSQBJMZILCS-OAHLLOKOSA-N 1 1 292.448 3.217 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C(C)C)cc1 ZINC001028280568 800837012 /nfs/dbraw/zinc/83/70/12/800837012.db2.gz PCMPVJSBNOFRMF-GOSISDBHSA-N 1 1 298.430 3.028 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(C)c1C ZINC001028296251 800840357 /nfs/dbraw/zinc/84/03/57/800840357.db2.gz RJLAPXIVQWUQLV-INIZCTEOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCCC1(C)C ZINC001028340731 800844370 /nfs/dbraw/zinc/84/43/70/800844370.db2.gz WNWZFZRYFFEEML-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)c2sccc2C)C1 ZINC001028375180 800845540 /nfs/dbraw/zinc/84/55/40/800845540.db2.gz IQWXWUHEIXWRCI-AWEZNQCLSA-N 1 1 292.448 3.074 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001028746655 800852043 /nfs/dbraw/zinc/85/20/43/800852043.db2.gz QRUHADBFNAJDCL-KBPBESRZSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001028746655 800852045 /nfs/dbraw/zinc/85/20/45/800852045.db2.gz QRUHADBFNAJDCL-KBPBESRZSA-N 1 1 298.858 3.003 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](CNC(=O)c2ccccc2C2CCC2)C1 ZINC001028956259 800855341 /nfs/dbraw/zinc/85/53/41/800855341.db2.gz BIVNHRFUUUJUSR-HNNXBMFYSA-N 1 1 298.430 3.192 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](CNC(=O)c2cccc3ccccc32)C1 ZINC001028962420 800855784 /nfs/dbraw/zinc/85/57/84/800855784.db2.gz TYKUGJWGEDXFCP-HNNXBMFYSA-N 1 1 294.398 3.078 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C1CCCC1 ZINC001032725413 800933721 /nfs/dbraw/zinc/93/37/21/800933721.db2.gz SYFNKPJKQFAQCI-PVAVHDDUSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[C@H](CC)CC1 ZINC001032742544 800934572 /nfs/dbraw/zinc/93/45/72/800934572.db2.gz QUOKSKHKAIRCLV-QAETUUGQSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)C=C2CCCCC2)C1 ZINC001032948195 800945474 /nfs/dbraw/zinc/94/54/74/800945474.db2.gz LSDYZUZFFATGBN-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001033097330 800952582 /nfs/dbraw/zinc/95/25/82/800952582.db2.gz XTFAPDNIJCPWBZ-ARFHVFGLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C1CCC(C(=O)N(C)[C@H]2CC[N@H+](CCC(C)C)C2)CC1 ZINC001033396489 800961815 /nfs/dbraw/zinc/96/18/15/800961815.db2.gz OLRMOAGFEAOXAE-KRWDZBQOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2occc2Cl)C1 ZINC001033393374 800962621 /nfs/dbraw/zinc/96/26/21/800962621.db2.gz OZTJXSLZTQJHAF-LBPRGKRZSA-N 1 1 296.798 3.046 20 30 CGEDMO C=C1CCC(C(=O)N(C)[C@H]2CC[N@H+](C/C=C/Cl)C2)CC1 ZINC001033390003 800963323 /nfs/dbraw/zinc/96/33/23/800963323.db2.gz YKSRWRCSEZRQHT-RUFWOKOUSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C1CCC(C(=O)N(C)[C@H]2CC[N@@H+](C/C=C/Cl)C2)CC1 ZINC001033390003 800963325 /nfs/dbraw/zinc/96/33/25/800963325.db2.gz YKSRWRCSEZRQHT-RUFWOKOUSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Cl)cs2)C1 ZINC001033471276 800965779 /nfs/dbraw/zinc/96/57/79/800965779.db2.gz IUYLFHKARNRMHR-GFCCVEGCSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)C2(C3CCCCC3)CC2)C1 ZINC001033622826 800971796 /nfs/dbraw/zinc/97/17/96/800971796.db2.gz ATXIMWCXEFMECR-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2cscc2C)C1 ZINC001033789637 800982520 /nfs/dbraw/zinc/98/25/20/800982520.db2.gz PDGOTWKDPPXVNV-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001033834254 800986055 /nfs/dbraw/zinc/98/60/55/800986055.db2.gz VNBCKRCFJCEOJB-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001033948707 800991298 /nfs/dbraw/zinc/99/12/98/800991298.db2.gz BSIWSNNZQLVPJK-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2csc(C)c2)C1 ZINC001033989705 800992711 /nfs/dbraw/zinc/99/27/11/800992711.db2.gz OOPJXGBWXRBICW-HNNXBMFYSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC=CCC2)C1 ZINC001034096939 801003837 /nfs/dbraw/zinc/00/38/37/801003837.db2.gz UDHVJLDAHFSMTP-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)C[C@H]2C=CCC2)C1 ZINC001034090637 801004834 /nfs/dbraw/zinc/00/48/34/801004834.db2.gz LDELLGVDTNEKMF-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2cc(C)oc2C)C1 ZINC001034101435 801006307 /nfs/dbraw/zinc/00/63/07/801006307.db2.gz LJESGDDCLIGDDR-HNNXBMFYSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2cscc2Cl)C1 ZINC001034256431 801012837 /nfs/dbraw/zinc/01/28/37/801012837.db2.gz JKDZUMCTNQWJFK-LLVKDONJSA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc(CC)o2)C1 ZINC001034271960 801014315 /nfs/dbraw/zinc/01/43/15/801014315.db2.gz DDZWXNCMBHQIPB-AWEZNQCLSA-N 1 1 290.407 3.002 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(CC)s2)C1 ZINC001034292586 801016801 /nfs/dbraw/zinc/01/68/01/801016801.db2.gz GURUUCBSWYPAGF-CYBMUJFWSA-N 1 1 292.448 3.081 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)C2CC2)C1 ZINC001034354344 801019953 /nfs/dbraw/zinc/01/99/53/801019953.db2.gz DKDHAIKOWIHCRQ-CQSZACIVSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)C2CC2)C1 ZINC001034354344 801019960 /nfs/dbraw/zinc/01/99/60/801019960.db2.gz DKDHAIKOWIHCRQ-CQSZACIVSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@H+](C[C@H](F)CC)C2)C1 ZINC001034388618 801022756 /nfs/dbraw/zinc/02/27/56/801022756.db2.gz HIJHYOLGKPLFKO-CABCVRRESA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001034384803 801023606 /nfs/dbraw/zinc/02/36/06/801023606.db2.gz IJYJBKYZSHIHDW-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)C2(F)CCCCC2)C1 ZINC001034472184 801027792 /nfs/dbraw/zinc/02/77/92/801027792.db2.gz ROAQASZQHKAESI-HNNXBMFYSA-N 1 1 296.430 3.206 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001034560649 801033117 /nfs/dbraw/zinc/03/31/17/801033117.db2.gz XDDYMGSXILVUKX-AWEZNQCLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CCC2(CC[N@H+](CC)C2)CC1 ZINC001035190630 801054586 /nfs/dbraw/zinc/05/45/86/801054586.db2.gz ACGRZWRZZLWXAM-UHFFFAOYSA-N 1 1 298.858 3.100 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2CN(C(=O)C3(C)CCCC3)CC[C@@H]21 ZINC001036784288 801089167 /nfs/dbraw/zinc/08/91/67/801089167.db2.gz LSAUZYMLGYYGSC-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3CCCC)C2)C1 ZINC001036816305 801093357 /nfs/dbraw/zinc/09/33/57/801093357.db2.gz SLEZIMMBBAANSU-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCc2nonc2C)cc1 ZINC001164066025 806885385 /nfs/dbraw/zinc/88/53/85/806885385.db2.gz VJAKAECAAMZKAU-QGZVFWFLSA-N 1 1 298.390 3.313 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1C(C)C ZINC001038330754 801125070 /nfs/dbraw/zinc/12/50/70/801125070.db2.gz URQKNYXQWHVNDW-OAHLLOKOSA-N 1 1 286.419 3.190 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC=CCCC1 ZINC001038402533 801125247 /nfs/dbraw/zinc/12/52/47/801125247.db2.gz NOWSUVZCEVMBSK-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1ccc(CCC)s1 ZINC001038297485 801125537 /nfs/dbraw/zinc/12/55/37/801125537.db2.gz OKXODHILCJPIHO-CYBMUJFWSA-N 1 1 292.448 3.081 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(CCC)s1 ZINC001038297485 801125541 /nfs/dbraw/zinc/12/55/41/801125541.db2.gz OKXODHILCJPIHO-CYBMUJFWSA-N 1 1 292.448 3.081 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1C1(C)CC1 ZINC001038693888 801132627 /nfs/dbraw/zinc/13/26/27/801132627.db2.gz OQMTYLSRKAAFHX-HNNXBMFYSA-N 1 1 298.430 3.118 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001038942768 801138208 /nfs/dbraw/zinc/13/82/08/801138208.db2.gz OZCHHTPQBAKFHC-ULQDDVLXSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H]1CNC(=O)c1ccc([C@@H](C)CC)cc1 ZINC001039057100 801144453 /nfs/dbraw/zinc/14/44/53/801144453.db2.gz QFTXDGBQTYROKH-YJBOKZPZSA-N 1 1 298.430 3.028 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C2CCC2)C1 ZINC001039178420 801150541 /nfs/dbraw/zinc/15/05/41/801150541.db2.gz PQUZFALIFYIMSD-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C(C)C)C1 ZINC001039190326 801152323 /nfs/dbraw/zinc/15/23/23/801152323.db2.gz LFPAPFVUOANIRR-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1CC ZINC001039439347 801162550 /nfs/dbraw/zinc/16/25/50/801162550.db2.gz LSWFCXZNYKXMPD-WCXIOVBPSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C)CC)C2)C1 ZINC001040083950 801172595 /nfs/dbraw/zinc/17/25/95/801172595.db2.gz RWLDZANOVVQGNZ-WMZOPIPTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@]2(CCN(C(=O)/C(C)=C\C)C2)C1 ZINC001040144157 801173810 /nfs/dbraw/zinc/17/38/10/801173810.db2.gz CRBYEBWMTVITOD-RWFSNQMCSA-N 1 1 296.842 3.020 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@]2(CCN(C(=O)/C(C)=C\C)C2)C1 ZINC001040144157 801173813 /nfs/dbraw/zinc/17/38/13/801173813.db2.gz CRBYEBWMTVITOD-RWFSNQMCSA-N 1 1 296.842 3.020 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)C)C2)C1 ZINC001040501622 801178597 /nfs/dbraw/zinc/17/85/97/801178597.db2.gz FDBSUUCGRGYLCN-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)c3cc(C)ccc3C)C2)C1 ZINC001041804091 801194460 /nfs/dbraw/zinc/19/44/60/801194460.db2.gz PUFPDOAYAFYGDF-IBGZPJMESA-N 1 1 298.430 3.027 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C3(C)CCC3)C[C@@H]21 ZINC001042186867 801201780 /nfs/dbraw/zinc/20/17/80/801201780.db2.gz KHOUCBAJFRGCKH-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](CC(C)C)[C@H]2C1 ZINC001042185233 801202263 /nfs/dbraw/zinc/20/22/63/801202263.db2.gz RANRYMKKSJJPOC-CVEARBPZSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)CC)C[C@@H]21 ZINC001042206361 801204042 /nfs/dbraw/zinc/20/40/42/801204042.db2.gz DVVUAAZVMYPMPS-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(C)ccc3C)C[C@H]21 ZINC001042334873 801205173 /nfs/dbraw/zinc/20/51/73/801205173.db2.gz HWKHOQGSZMKORK-SJLPKXTDSA-N 1 1 298.430 3.026 20 30 CGEDMO C=CCC[NH+]1CC(N(C)C(=O)c2cc3cccc(C)c3o2)C1 ZINC001044340089 801235317 /nfs/dbraw/zinc/23/53/17/801235317.db2.gz FBONAEQPRJEBNB-UHFFFAOYSA-N 1 1 298.386 3.074 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)C2CC(C)(C)C2)CC1 ZINC001045429011 801274428 /nfs/dbraw/zinc/27/44/28/801274428.db2.gz PDMJKFGFKXTWNH-UHFFFAOYSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC)c1ccccc1 ZINC001045894560 801289634 /nfs/dbraw/zinc/28/96/34/801289634.db2.gz FRJVSTMCCXJGAK-FGTMMUONSA-N 1 1 298.430 3.041 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC1CC1)C2 ZINC001045907835 801291008 /nfs/dbraw/zinc/29/10/08/801291008.db2.gz DMQLUFSZYWRQKM-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCC)C2 ZINC001045909418 801292185 /nfs/dbraw/zinc/29/21/85/801292185.db2.gz OJUJTLQRBXUQFZ-QGZVFWFLSA-N 1 1 278.440 3.067 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)CC)C2 ZINC001045916548 801293639 /nfs/dbraw/zinc/29/36/39/801293639.db2.gz DMBLIAYGLWVYGK-AEFFLSMTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C1CCC(C(=O)N[C@@]2(C)CC[N@H+](C[C@H](C)CC)C2)CC1 ZINC001046595191 801317654 /nfs/dbraw/zinc/31/76/54/801317654.db2.gz XZBVGNINYYALLK-KDOFPFPSSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)c2cc(Cl)cs2)C1 ZINC001046674768 801322035 /nfs/dbraw/zinc/32/20/35/801322035.db2.gz BFFXHJDUEUMTRC-AWEZNQCLSA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001046861724 801330814 /nfs/dbraw/zinc/33/08/14/801330814.db2.gz WXNJEBRCNJRMOM-CRAIPNDOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](CC(CC)CC)C[C@@H]2C1 ZINC001048982144 801354743 /nfs/dbraw/zinc/35/47/43/801354743.db2.gz PNYVHMJTWQRECW-IYBDPMFKSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cccs1 ZINC001049300588 801363717 /nfs/dbraw/zinc/36/37/17/801363717.db2.gz COMVUOOXHSZXND-KGLIPLIRSA-N 1 1 290.432 3.003 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)C(C)(C)C ZINC001049552093 801374592 /nfs/dbraw/zinc/37/45/92/801374592.db2.gz LNCLSKUIDXQDQJ-BZUAXINKSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CCC1 ZINC001049643487 801379316 /nfs/dbraw/zinc/37/93/16/801379316.db2.gz DTNVCEJPDLKIKO-HOTGVXAUSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)C ZINC001049858718 801391043 /nfs/dbraw/zinc/39/10/43/801391043.db2.gz POHJXOPIVGCFBY-HUUCEWRRSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C2CCCCC2)CC1 ZINC001052164808 801422233 /nfs/dbraw/zinc/42/22/33/801422233.db2.gz BBNWPBXFRSKUMG-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccoc2Cl)CC1 ZINC001052340964 801431254 /nfs/dbraw/zinc/43/12/54/801431254.db2.gz DEOVSJPASXFIHN-LBPRGKRZSA-N 1 1 296.798 3.093 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2cc(C)c(C)o2)CC1 ZINC001052315147 801431402 /nfs/dbraw/zinc/43/14/02/801431402.db2.gz NTUJJDXKNCZITF-HNNXBMFYSA-N 1 1 290.407 3.057 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)C(C)(C)C2CCC2)CC1 ZINC001052591105 801438311 /nfs/dbraw/zinc/43/83/11/801438311.db2.gz NAHUJBVBLIWNNU-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2occc2C(C)C)CC1 ZINC001052650943 801444237 /nfs/dbraw/zinc/44/42/37/801444237.db2.gz BMWHZZINIJIJDU-CQSZACIVSA-N 1 1 290.407 3.173 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)c2cccs2)CC1 ZINC001052705848 801448192 /nfs/dbraw/zinc/44/81/92/801448192.db2.gz KVRMCIHTMPJPHL-ZIAGYGMSSA-N 1 1 292.448 3.008 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccsc2Cl)CC1 ZINC001052765379 801452236 /nfs/dbraw/zinc/45/22/36/801452236.db2.gz YFFINBTYHWQYCP-NSHDSACASA-N 1 1 298.839 3.172 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cl)s2)CC1 ZINC001052912711 801455968 /nfs/dbraw/zinc/45/59/68/801455968.db2.gz DJIPQTPUEHFOSA-NSHDSACASA-N 1 1 298.839 3.172 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C2CC2)C1 ZINC001053060013 801465830 /nfs/dbraw/zinc/46/58/30/801465830.db2.gz BQGLYWUQUCUYAE-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)/C(C)=C\C)C1 ZINC001053076599 801468560 /nfs/dbraw/zinc/46/85/60/801468560.db2.gz QLFSDYCPUXNMMQ-XIENNYHASA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)/C(C)=C\C)C2 ZINC001054110328 801473871 /nfs/dbraw/zinc/47/38/71/801473871.db2.gz CVIXIDYREQEOED-UUGSPAKMSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(F)=C(C)C)C2 ZINC001054113578 801475579 /nfs/dbraw/zinc/47/55/79/801475579.db2.gz KMVQQTBALSLHTN-QGZVFWFLSA-N 1 1 294.414 3.140 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(C)CCCC1)C2 ZINC001054172869 801477921 /nfs/dbraw/zinc/47/79/21/801477921.db2.gz ZPEAHPBNZXTLRI-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)CC2CCCC2)CC[C@H]1C ZINC001071315326 801526919 /nfs/dbraw/zinc/52/69/19/801526919.db2.gz WCRPOEXEVGFCPO-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cccs2)CC[C@@H]1C ZINC001071330816 801528081 /nfs/dbraw/zinc/52/80/81/801528081.db2.gz XYAFHQZPHRNQRA-KBPBESRZSA-N 1 1 292.448 3.297 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)C2C(C)(C)C2(C)C)CC[C@H]1C ZINC001071414684 801534059 /nfs/dbraw/zinc/53/40/59/801534059.db2.gz VQKRIPMDHBLPAD-ZIAGYGMSSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2=CCCC2)CC[C@@H]1C ZINC001071423925 801536339 /nfs/dbraw/zinc/53/63/39/801536339.db2.gz LIOSSGCMDHVDKW-HOCLYGCPSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)C(F)=C2CCCC2)CC[C@H]1C ZINC001071427129 801536361 /nfs/dbraw/zinc/53/63/61/801536361.db2.gz GIAIFCQICGJSJM-UKRRQHHQSA-N 1 1 294.414 3.329 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C(C)=C2CCCC2)CC[C@H]1C ZINC001071420980 801536681 /nfs/dbraw/zinc/53/66/81/801536681.db2.gz WIDHWXVEUUMBCH-CJNGLKHVSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccoc2CC)CC[C@@H]1C ZINC001071473232 801539362 /nfs/dbraw/zinc/53/93/62/801539362.db2.gz HZXWTRAZUCIUDI-KBPBESRZSA-N 1 1 290.407 3.001 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccc(CC)o2)CC[C@H]1C ZINC001071619408 801545696 /nfs/dbraw/zinc/54/56/96/801545696.db2.gz OMADCZVRFIXGSX-KGLIPLIRSA-N 1 1 290.407 3.001 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)C2CC3(CCC3)C2)CC[C@H]1C ZINC001071740948 801547191 /nfs/dbraw/zinc/54/71/91/801547191.db2.gz CBUKVJDRSJJGTH-GDBMZVCRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2csc(C)c2)CC[C@@H]1C ZINC001071898174 801557261 /nfs/dbraw/zinc/55/72/61/801557261.db2.gz WWWJGXNDWXMHQK-WFASDCNBSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)c2ccc(Cl)s2)CC[C@@H]1C ZINC001072049835 801562757 /nfs/dbraw/zinc/56/27/57/801562757.db2.gz RHUHVAJQFZZVFZ-WDEREUQCSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2ccc(Cl)s2)CC[C@@H]1C ZINC001072049835 801562759 /nfs/dbraw/zinc/56/27/59/801562759.db2.gz RHUHVAJQFZZVFZ-WDEREUQCSA-N 1 1 298.839 3.170 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C2CCC=CCC2)CC[C@H]1C ZINC001072079686 801563734 /nfs/dbraw/zinc/56/37/34/801563734.db2.gz QWZXORPHULDTLV-WBVHZDCISA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)C2CCC(C)(C)CC2)CC[C@@H]1C ZINC001072106588 801565953 /nfs/dbraw/zinc/56/59/53/801565953.db2.gz SSGIZMMMZOCTHA-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2cccc(C3CC3)c2)CC[C@@H]1C ZINC001072104701 801566042 /nfs/dbraw/zinc/56/60/42/801566042.db2.gz CVQPQXKTIDQABW-KBXCAEBGSA-N 1 1 298.430 3.333 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](C2CCN(C(C)=O)CC2)CC1 ZINC001075443110 801601633 /nfs/dbraw/zinc/60/16/33/801601633.db2.gz HSQDZEJBEHBETD-QGZVFWFLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2C)C1 ZINC001079375290 801642127 /nfs/dbraw/zinc/64/21/27/801642127.db2.gz BGTQVFOCPVOTTD-NVXWUHKLSA-N 1 1 286.419 3.011 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(Cl)cs2)C1 ZINC001080551068 801653929 /nfs/dbraw/zinc/65/39/29/801653929.db2.gz AIPPKPOEPNQDHX-ZYHUDNBSSA-N 1 1 298.839 3.028 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C(C)C)[C@@H]2C1 ZINC001084370715 801667957 /nfs/dbraw/zinc/66/79/57/801667957.db2.gz GZNLMMYYPWZMJK-HZPDHXFCSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CCC3CCC3)[C@@H]2C1 ZINC001084263695 801668432 /nfs/dbraw/zinc/66/84/32/801668432.db2.gz QPYVAIVHHCFROF-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1CCCCCCC1 ZINC001085714534 801701380 /nfs/dbraw/zinc/70/13/80/801701380.db2.gz MVGXLVYUVJEVJI-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CCCCCCC1 ZINC001085714534 801701384 /nfs/dbraw/zinc/70/13/84/801701384.db2.gz MVGXLVYUVJEVJI-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CCC(F)CC1 ZINC001085800884 801705280 /nfs/dbraw/zinc/70/52/80/801705280.db2.gz DVONCWNPEXWVJN-GPANFISMSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2C[C@@H](F)CC)CC1 ZINC001085800703 801706091 /nfs/dbraw/zinc/70/60/91/801706091.db2.gz AFZPKTZMAPISOS-JKSUJKDBSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2C[C@@H](F)CC)CC1 ZINC001085800703 801706095 /nfs/dbraw/zinc/70/60/95/801706095.db2.gz AFZPKTZMAPISOS-JKSUJKDBSA-N 1 1 296.430 3.014 20 30 CGEDMO C=Cc1ccc(C(=O)N(C)C[C@H]2CC[N@H+]2CC(=C)C)cc1 ZINC001085834021 801708445 /nfs/dbraw/zinc/70/84/45/801708445.db2.gz ZRHSLPCROKMMLI-QGZVFWFLSA-N 1 1 284.403 3.052 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[C@H](CC)CC1 ZINC001085937050 801712289 /nfs/dbraw/zinc/71/22/89/801712289.db2.gz UJJLBKVGMIIUKE-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CCC=CCC1 ZINC001085976205 801715198 /nfs/dbraw/zinc/71/51/98/801715198.db2.gz QJNZAUIZFFKZOG-QGZVFWFLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC(C)(C)C1 ZINC001085990552 801715993 /nfs/dbraw/zinc/71/59/93/801715993.db2.gz SGSNTTTVWKHDAC-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C(C)C)[C@H]1CC ZINC001087594763 801758695 /nfs/dbraw/zinc/75/86/95/801758695.db2.gz XCDBBNPFABUMIY-ZWKOTPCHSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2CCC)[C@H]1CC ZINC001087716924 801764862 /nfs/dbraw/zinc/76/48/62/801764862.db2.gz JQBAELWVWVPYFU-APIJFGDWSA-N 1 1 298.858 3.144 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2CCC)[C@H]1CC ZINC001087716924 801764868 /nfs/dbraw/zinc/76/48/68/801764868.db2.gz JQBAELWVWVPYFU-APIJFGDWSA-N 1 1 298.858 3.144 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CC[C@H](C)F)[C@@H]2CC)C1 ZINC001087717759 801766418 /nfs/dbraw/zinc/76/64/18/801766418.db2.gz ODLKMKADQAUTQX-SOUVJXGZSA-N 1 1 296.430 3.060 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2=CCCCCC2)[C@H]1C ZINC001088538909 801799544 /nfs/dbraw/zinc/79/95/44/801799544.db2.gz XIFAIMFQIRVUKZ-WBVHZDCISA-N 1 1 290.451 3.422 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[N@H+](C[C@H](C)CC)[C@@H]2C)CC1 ZINC001088838450 801808432 /nfs/dbraw/zinc/80/84/32/801808432.db2.gz JSXFTMIZTFLSJI-UNEWFSDZSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@]23C[C@H]2CCCC3)[C@H]1C ZINC001088844978 801812037 /nfs/dbraw/zinc/81/20/37/801812037.db2.gz JAJFTQUQBPXDAO-XLMAVXFVSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2oc3ccccc3c2C)[C@H]1C ZINC001089022477 801817689 /nfs/dbraw/zinc/81/76/89/801817689.db2.gz XEISGNOBKDIIGS-HIFRSBDPSA-N 1 1 298.386 3.120 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@]2(C)C=CCC2)CC(C)(C)C1 ZINC001089466273 801839397 /nfs/dbraw/zinc/83/93/97/801839397.db2.gz CCSSWVMMZNIJMR-QAPCUYQASA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2(C)CC(=C)C2)CC(C)(C)C1 ZINC001089484737 801842507 /nfs/dbraw/zinc/84/25/07/801842507.db2.gz BFELIIVUAWJMNJ-HNNXBMFYSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC1(C)C ZINC001089630387 801845489 /nfs/dbraw/zinc/84/54/89/801845489.db2.gz HJAXZZYSCFIPCR-GJZGRUSLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+](C)C1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC001256673691 806945101 /nfs/dbraw/zinc/94/51/01/806945101.db2.gz DVXRNKBDQAWRGJ-UHFFFAOYSA-N 1 1 282.428 3.282 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC=CCC1)C2 ZINC001095876571 801886182 /nfs/dbraw/zinc/88/61/82/801886182.db2.gz UAFHOLHGRQZIPP-NCOADZHNSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)c1cccc(C)c1)C2 ZINC001096075154 801887057 /nfs/dbraw/zinc/88/70/57/801887057.db2.gz OHMBWQOIZBVCQV-BGTYHANMSA-N 1 1 298.430 3.006 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)c1ccccc1)C2 ZINC001096365463 801887220 /nfs/dbraw/zinc/88/72/20/801887220.db2.gz LKFNRIQKYVLJCD-RANZSIQMSA-N 1 1 298.430 3.088 20 30 CGEDMO C=Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=C)C)cc1 ZINC001097899072 801905930 /nfs/dbraw/zinc/90/59/30/801905930.db2.gz ZFXOIUYRKAQTNC-KURKYZTESA-N 1 1 296.414 3.241 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)c1ccccc1)C2 ZINC001098248124 801907518 /nfs/dbraw/zinc/90/75/18/801907518.db2.gz AKYSQNFKVIKWAB-DDBAPUKQSA-N 1 1 298.430 3.088 20 30 CGEDMO C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCC ZINC001098911552 801920276 /nfs/dbraw/zinc/92/02/76/801920276.db2.gz VEWWHEOVVKEIEZ-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)CCC ZINC001098976467 801924729 /nfs/dbraw/zinc/92/47/29/801924729.db2.gz UNRWFQPMIZFPSW-CVEARBPZSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](F)C(C)C ZINC001099176620 801932014 /nfs/dbraw/zinc/93/20/14/801932014.db2.gz QYKLUXDYMGXIRK-LSDHHAIUSA-N 1 1 298.446 3.163 20 30 CGEDMO C=CCCC(=O)N1C[C@H]2C[N@H+]([C@H](C)CCC=C)C[C@@]2(C)C1 ZINC001101167371 801974016 /nfs/dbraw/zinc/97/40/16/801974016.db2.gz AGGRSIXZZJEOIQ-NUJGCVRESA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CN(C(=O)C[C@H](C)CCC)C[C@]2(C)C1 ZINC001101166161 801974212 /nfs/dbraw/zinc/97/42/12/801974212.db2.gz DSQXDVOTVUIFNW-NUJGCVRESA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)/C(C)=C\CC)C[C@]2(C)C1 ZINC001101155329 801974430 /nfs/dbraw/zinc/97/44/30/801974430.db2.gz PLHFNNIETRSGPD-WRLNUHKLSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CN(C(=O)CC(CC)CC)C[C@]2(C)C1 ZINC001101408272 801978510 /nfs/dbraw/zinc/97/85/10/801978510.db2.gz UBYDBIGSSIDXHR-AEFFLSMTSA-N 1 1 292.467 3.169 20 30 CGEDMO CCCCCCC[N@@H+]1C[C@@H](CNC(=O)C2CCC2)[C@H](C)C1 ZINC001101661030 801985072 /nfs/dbraw/zinc/98/50/72/801985072.db2.gz ZBSUEHWBCBAJBD-NVXWUHKLSA-N 1 1 294.483 3.441 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC)CCCC)[C@H](C)C1 ZINC001101750722 801990394 /nfs/dbraw/zinc/99/03/94/801990394.db2.gz PAAJUJKQUDJYQZ-IXDOHACOSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C ZINC001102003678 801997390 /nfs/dbraw/zinc/99/73/90/801997390.db2.gz KCRRTSWWUVVQKZ-GDBMZVCRSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1C ZINC001102003583 801997780 /nfs/dbraw/zinc/99/77/80/801997780.db2.gz GFIHWWPCMXUFSL-YOIVVXPQSA-N 1 1 298.858 3.025 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)C(CC)CC)[C@H](C)C1 ZINC001102108612 801999557 /nfs/dbraw/zinc/99/95/57/801999557.db2.gz USGCLESFRRSRIP-BFYDXBDKSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)CC(C)(C)C)[C@H](C)C1 ZINC001102435807 802009386 /nfs/dbraw/zinc/00/93/86/802009386.db2.gz KLWDFLZACHIIKY-ARFHVFGLSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)CC(C)(C)C)[C@H](C)C1 ZINC001102435808 802009817 /nfs/dbraw/zinc/00/98/17/802009817.db2.gz KLWDFLZACHIIKY-BZUAXINKSA-N 1 1 294.483 3.319 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](CNC(=O)CCC2(C)CC2)[C@H](C)C1 ZINC001102495061 802011679 /nfs/dbraw/zinc/01/16/79/802011679.db2.gz CXPGUMOYDDLUGK-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)CCC)C1 ZINC001102789635 802018649 /nfs/dbraw/zinc/01/86/49/802018649.db2.gz KAPUFMFDKQEGTF-BRWVUGGUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCC(=O)NCC[C@@H]1C[N@H+](CCCCCF)C[C@H]1C ZINC001102762668 802020184 /nfs/dbraw/zinc/02/01/84/802020184.db2.gz KGIRSHVJLDKMIP-HZPDHXFCSA-N 1 1 298.446 3.167 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC2(C)C)C1 ZINC001102872637 802024369 /nfs/dbraw/zinc/02/43/69/802024369.db2.gz OZGIEAHYWYLSDY-OAGGEKHMSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC(C)(C)CC)C1 ZINC001103026389 802025377 /nfs/dbraw/zinc/02/53/77/802025377.db2.gz KXBFBVMTUCQZCL-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[C@@H]1C[N@H+](CC(=C)Cl)C[C@H]1C ZINC001103315226 802030849 /nfs/dbraw/zinc/03/08/49/802030849.db2.gz TUSWGMZTDXFINX-TZMCWYRMSA-N 1 1 298.858 3.025 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@@H](C)CC)C1 ZINC001103559876 802037541 /nfs/dbraw/zinc/03/75/41/802037541.db2.gz OQRWZGRWVZEFNX-GVDBMIGSSA-N 1 1 294.483 3.463 20 30 CGEDMO C#CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCCCC)C1 ZINC001103693164 802038248 /nfs/dbraw/zinc/03/82/48/802038248.db2.gz HSNMPXHAKNJPIO-IAGOWNOFSA-N 1 1 292.467 3.054 20 30 CGEDMO C=C(C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(C)C)CC2 ZINC001107424221 802088063 /nfs/dbraw/zinc/08/80/63/802088063.db2.gz CEUZGIFBEFAFBP-SJLPKXTDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](CC)CCC)CCC[C@@H]12 ZINC001107591039 802091812 /nfs/dbraw/zinc/09/18/12/802091812.db2.gz PISKBTIDPJVDOI-JFIYKMOQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC1CCCC1)C2 ZINC001108886976 802102351 /nfs/dbraw/zinc/10/23/51/802102351.db2.gz AAWREPSJAOUJBZ-IKGGRYGDSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCCC1)C2 ZINC001108847265 802102838 /nfs/dbraw/zinc/10/28/38/802102838.db2.gz OTNJOOMBSFEWNS-SIXLDLHFSA-N 1 1 290.451 3.253 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC)C2 ZINC001108942483 802104475 /nfs/dbraw/zinc/10/44/75/802104475.db2.gz TXGRPABALYNPAO-FZKCQIBNSA-N 1 1 278.440 3.253 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)CCC)C2 ZINC001109052059 802105680 /nfs/dbraw/zinc/10/56/80/802105680.db2.gz OHDSHLYKYCJWML-FZKCQIBNSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCC ZINC001109605594 802118987 /nfs/dbraw/zinc/11/89/87/802118987.db2.gz JEXFMEOGHWJCKC-ILXRZTDVSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCCCC[N@H+](C)C1CCC(C(=O)OC)CC1 ZINC001257867120 807230988 /nfs/dbraw/zinc/23/09/88/807230988.db2.gz HCBRJPXATUNJNT-UHFFFAOYSA-N 1 1 253.386 3.006 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](CC)C(C)C)C2 ZINC001110004745 802130107 /nfs/dbraw/zinc/13/01/07/802130107.db2.gz XTNUIWZRLJXODK-NCOADZHNSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)C(C)(C)C)C2 ZINC001110038810 802130130 /nfs/dbraw/zinc/13/01/30/802130130.db2.gz WPGXEKYSOMKFDT-FZKCQIBNSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(C)C)C2 ZINC001110251232 802133604 /nfs/dbraw/zinc/13/36/04/802133604.db2.gz NYLOSASBVOYJQK-JJXSEGSLSA-N 1 1 278.440 3.109 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C(CC)CC)C2 ZINC001110750767 802145963 /nfs/dbraw/zinc/14/59/63/802145963.db2.gz ZTGDPPNWFZAZFG-DZUCGIPZSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C=C)C2 ZINC001110897355 802148764 /nfs/dbraw/zinc/14/87/64/802148764.db2.gz JUNPIDOVMXQSFJ-JJXSEGSLSA-N 1 1 290.451 3.275 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C\Cl ZINC001110934700 802150521 /nfs/dbraw/zinc/15/05/21/802150521.db2.gz KZLXVFZPINWFQY-SUPFUMEJSA-N 1 1 296.842 3.063 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C/C=C\Cl ZINC001110934700 802150522 /nfs/dbraw/zinc/15/05/22/802150522.db2.gz KZLXVFZPINWFQY-SUPFUMEJSA-N 1 1 296.842 3.063 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)CC(=C)C)C2 ZINC001110934127 802150778 /nfs/dbraw/zinc/15/07/78/802150778.db2.gz ZBPILWWSBJXCBN-HZMVEIRTSA-N 1 1 290.451 3.276 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(CCC=C)CC1)C2 ZINC001110989761 802151752 /nfs/dbraw/zinc/15/17/52/802151752.db2.gz VKLGPPWQRACWFB-OAGGEKHMSA-N 1 1 288.435 3.030 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)C ZINC001110984786 802153145 /nfs/dbraw/zinc/15/31/45/802153145.db2.gz MROFOLBHXYQLDE-XLMAVXFVSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](C)CC ZINC001110964546 802153214 /nfs/dbraw/zinc/15/32/14/802153214.db2.gz PPVBIRBFGRSQPL-JJXSEGSLSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)C ZINC001111072807 802154588 /nfs/dbraw/zinc/15/45/88/802154588.db2.gz UKXVRPJCQISJGC-OAGGEKHMSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC(C)C)C1 ZINC001111572402 802162654 /nfs/dbraw/zinc/16/26/54/802162654.db2.gz LCPSXBJZNSSXFC-RYRKJORJSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)CCC)C1 ZINC001111668121 802167117 /nfs/dbraw/zinc/16/71/17/802167117.db2.gz AATYOOBOJKDFLT-RYRKJORJSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCCC)C2 ZINC001111762976 802169047 /nfs/dbraw/zinc/16/90/47/802169047.db2.gz XOWMWRWYJGNYJY-YJBOKZPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2(C)CCCC2)C1 ZINC001111734983 802169258 /nfs/dbraw/zinc/16/92/58/802169258.db2.gz FDTSIOYDOVRZLR-YJBOKZPZSA-N 1 1 290.451 3.114 20 30 CGEDMO CCCCCCC[NH+]1CCN(C(=O)c2ccc(C)o2)CC1 ZINC001112601793 802179946 /nfs/dbraw/zinc/17/99/46/802179946.db2.gz RVJRSJWPDJKJJU-UHFFFAOYSA-N 1 1 292.423 3.316 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)[C@@H](CCC)CC(C)C)CC1 ZINC001113702381 802233322 /nfs/dbraw/zinc/23/33/22/802233322.db2.gz YAINNPSCNXOVNK-INIZCTEOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)C/C=C\c2ccc(C)cc2)CC1 ZINC001113759404 802233962 /nfs/dbraw/zinc/23/39/62/802233962.db2.gz DJEQXEGHGBWVNP-PLNGDYQASA-N 1 1 298.430 3.119 20 30 CGEDMO C=CCC1(C(=O)N2CC[NH+](CC[C@H](C)F)CC2)CCCC1 ZINC001113744899 802234227 /nfs/dbraw/zinc/23/42/27/802234227.db2.gz SHNZKIQMYYNCCP-HNNXBMFYSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](CCCCCC)C[C@H]21 ZINC001114724091 802243324 /nfs/dbraw/zinc/24/33/24/802243324.db2.gz GEAHGZMYRSILJQ-MWDXBVQZSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(CC)CC ZINC001115028441 802250692 /nfs/dbraw/zinc/25/06/92/802250692.db2.gz NLKGNHNDSVAYSG-KBEGMRNHSA-N 1 1 292.467 3.214 20 30 CGEDMO CC(C)COCC[C@@H](C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC001172475288 808339325 /nfs/dbraw/zinc/33/93/25/808339325.db2.gz HOUJWMXLOCBUGF-CABCVRRESA-N 1 1 252.402 3.063 20 30 CGEDMO CC(C)COCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001172475528 808339426 /nfs/dbraw/zinc/33/94/26/808339426.db2.gz KSNVAMFIUUNUJM-YHUYYLMFSA-N 1 1 264.413 3.204 20 30 CGEDMO C=CC[C@@H]([NH2+]CC(C(C)C)C(C)C)C(=O)OCC ZINC001117081677 802432686 /nfs/dbraw/zinc/43/26/86/802432686.db2.gz OSTISFJTBADTMQ-CQSZACIVSA-N 1 1 255.402 3.012 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCO[C@](C)(c2ccc(F)cc2)C1 ZINC001172501915 808356764 /nfs/dbraw/zinc/35/67/64/808356764.db2.gz SFXPBOUUYBXROH-PBHICJAKSA-N 1 1 290.382 3.455 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2oc(-c3ccccc3)nc2C)C1 ZINC001119307869 802646968 /nfs/dbraw/zinc/64/69/68/802646968.db2.gz DUJVFOMVTZVKDL-MRXNPFEDSA-N 1 1 298.386 3.427 20 30 CGEDMO C#CC[N@H+](Cc1cc(OC(C)C)ccn1)C(C)(C)C ZINC001176288393 809661691 /nfs/dbraw/zinc/66/16/91/809661691.db2.gz OSKVTCNCVNNJKM-UHFFFAOYSA-N 1 1 260.381 3.103 20 30 CGEDMO N#CC1(CCCC[N@H+]2CC[C@@H]3OCCC[C@H]3C2)CCC1 ZINC001119684938 802691606 /nfs/dbraw/zinc/69/16/06/802691606.db2.gz JAGBQEISARQGJD-HOTGVXAUSA-N 1 1 276.424 3.351 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(Oc2cnccn2)cc1)C(C)C ZINC001119984412 802719747 /nfs/dbraw/zinc/71/97/47/802719747.db2.gz UUJCZTWBZSFLRF-UHFFFAOYSA-N 1 1 281.359 3.113 20 30 CGEDMO C[N@H+]1CCc2ccc(C3=CC[C@@H](C#N)CC3)cc2C1 ZINC001243794428 803012531 /nfs/dbraw/zinc/01/25/31/803012531.db2.gz OAHRRAQMANQBKH-CYBMUJFWSA-N 1 1 252.361 3.382 20 30 CGEDMO C[N@H+]1CCCC[C@H]1c1ccc(-c2ccncc2C#N)nc1 ZINC001244334574 803310473 /nfs/dbraw/zinc/31/04/73/803310473.db2.gz KOVZIMHWUTUKKB-KRWDZBQOSA-N 1 1 278.359 3.172 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccsc2)C1 ZINC001131894843 803354975 /nfs/dbraw/zinc/35/49/75/803354975.db2.gz CCHZVCPLAPXJFM-DZGCQCFKSA-N 1 1 292.448 3.183 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)/C(C)=C/CC)CC[C@@H]1C ZINC001131918818 803357862 /nfs/dbraw/zinc/35/78/62/803357862.db2.gz UBAGSPVBZJIIGU-DMNRVOQQSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)/C=C/C(C)(C)C)CC[C@@H]1C ZINC001131912082 803357995 /nfs/dbraw/zinc/35/79/95/803357995.db2.gz RQSRCHZDLKOZFF-LWLVDVGCSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCC[N@H+]1C[C@H](NC(=O)C=C(CC)CC)CC[C@H]1C ZINC001131987503 803364202 /nfs/dbraw/zinc/36/42/02/803364202.db2.gz BPDJUWQTPWNBCV-GDBMZVCRSA-N 1 1 278.440 3.278 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCCCCC)C1 ZINC001131996566 803365166 /nfs/dbraw/zinc/36/51/66/803365166.db2.gz VRJOZNSWUAZIQY-IAGOWNOFSA-N 1 1 292.467 3.339 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(CC)CC)C1 ZINC001132003516 803366062 /nfs/dbraw/zinc/36/60/62/803366062.db2.gz WNEAZHDJPCRYNC-NVXWUHKLSA-N 1 1 292.467 3.195 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CC2(C)CC2)CC[C@@H]1C ZINC001132191249 803377355 /nfs/dbraw/zinc/37/73/55/803377355.db2.gz RQNFPLLLNSKDKS-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)CC2(C)CC2)CC[C@@H]1C ZINC001132191251 803377634 /nfs/dbraw/zinc/37/76/34/803377634.db2.gz RQNFPLLLNSKDKS-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2(CCF)CC2)CC[C@@H]1C ZINC001132199806 803379203 /nfs/dbraw/zinc/37/92/03/803379203.db2.gz MSNLCZYVLRIBSP-GJZGRUSLSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](CC2CCC2)C1 ZINC001132221200 803380536 /nfs/dbraw/zinc/38/05/36/803380536.db2.gz DEKGFGHLVIVSBF-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC(C)C)C2)CCC1 ZINC001132282001 803391179 /nfs/dbraw/zinc/39/11/79/803391179.db2.gz HCHSMNBLTVBZEX-CVEARBPZSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](C/C=C/Cl)C1 ZINC001132330318 803396678 /nfs/dbraw/zinc/39/66/78/803396678.db2.gz FMXNWBRMPRYRMX-NQCFCXBZSA-N 1 1 298.858 3.310 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](C/C=C/Cl)C1 ZINC001132330318 803396680 /nfs/dbraw/zinc/39/66/80/803396680.db2.gz FMXNWBRMPRYRMX-NQCFCXBZSA-N 1 1 298.858 3.310 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)CCC(C)(C)C)CC[C@@H]1C ZINC001132370827 803397703 /nfs/dbraw/zinc/39/77/03/803397703.db2.gz BXABPZMLYVWTSM-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC(C)(C)CCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001133391891 803472396 /nfs/dbraw/zinc/47/23/96/803472396.db2.gz XPQDKINRHMSRCL-KRWDZBQOSA-N 1 1 298.446 3.308 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)F)cc2)CC1 ZINC001136939728 803661211 /nfs/dbraw/zinc/66/12/11/803661211.db2.gz RSYMSPWBHAWZPZ-CYBMUJFWSA-N 1 1 294.345 3.456 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1ccc(OCC(F)F)cc1 ZINC001136939823 803661586 /nfs/dbraw/zinc/66/15/86/803661586.db2.gz XHFVWOZOBIRYHV-UHFFFAOYSA-N 1 1 282.334 3.456 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1ccc(OCC(F)F)cc1 ZINC001136939823 803661589 /nfs/dbraw/zinc/66/15/89/803661589.db2.gz XHFVWOZOBIRYHV-UHFFFAOYSA-N 1 1 282.334 3.456 20 30 CGEDMO N#CCOc1ccc(C[N@@H+]2CCCC(F)(F)[C@H](F)C2)cc1 ZINC001137115506 803685407 /nfs/dbraw/zinc/68/54/07/803685407.db2.gz RRIOIVFYAYANHB-CQSZACIVSA-N 1 1 298.308 3.158 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CCCC(F)(F)[C@H](F)C2)cc1 ZINC001137115506 803685410 /nfs/dbraw/zinc/68/54/10/803685410.db2.gz RRIOIVFYAYANHB-CQSZACIVSA-N 1 1 298.308 3.158 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccc(-n2ccnn2)cc1 ZINC001137368609 803723152 /nfs/dbraw/zinc/72/31/52/803723152.db2.gz YQYMLCCLPQAYPC-UHFFFAOYSA-N 1 1 270.380 3.055 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(F)c(OC)c(OC)c1 ZINC001137507986 803738489 /nfs/dbraw/zinc/73/84/89/803738489.db2.gz ADIMBNUJYZQBMD-UHFFFAOYSA-N 1 1 267.344 3.241 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@H](C)CC2)c(C#N)c1 ZINC001137699801 803760432 /nfs/dbraw/zinc/76/04/32/803760432.db2.gz VCMAVOFAOSQNLM-ZDUSSCGKSA-N 1 1 258.365 3.189 20 30 CGEDMO C#CC1CC[NH+](Cc2cccc(Cl)c2F)CC1 ZINC001137962479 803808149 /nfs/dbraw/zinc/80/81/49/803808149.db2.gz KXIFGHPETAUZMJ-UHFFFAOYSA-N 1 1 251.732 3.324 20 30 CGEDMO Cc1ccc(C#N)c(-c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC001245603040 803847031 /nfs/dbraw/zinc/84/70/31/803847031.db2.gz JISSMTISVMAFDR-UHFFFAOYSA-N 1 1 292.382 3.366 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CC[C@@H](C)C[C@@H]2C)cc1OC ZINC001138349426 803900929 /nfs/dbraw/zinc/90/09/29/803900929.db2.gz YWGDEJPFKPJDRE-CABCVRRESA-N 1 1 287.403 3.328 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC3(CCCC3)C2)cc1 ZINC001138559502 803968795 /nfs/dbraw/zinc/96/87/95/803968795.db2.gz VVSCTGYVYXTEMA-UHFFFAOYSA-N 1 1 269.388 3.465 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@@H](CC)C2)cc1 ZINC001138557851 803969149 /nfs/dbraw/zinc/96/91/49/803969149.db2.gz RGFREZVLZWOQHN-OAHLLOKOSA-N 1 1 257.377 3.321 20 30 CGEDMO C#CCOc1ccc(C[N@H+](CCCCCO)C(C)C)cc1 ZINC001138560152 803969260 /nfs/dbraw/zinc/96/92/60/803969260.db2.gz JGMTWQYTOUAQOF-UHFFFAOYSA-N 1 1 289.419 3.072 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccccc2N2CCCC2)C1 ZINC001138611489 803978383 /nfs/dbraw/zinc/97/83/83/803978383.db2.gz QBWUMRUPDOLTOM-MRXNPFEDSA-N 1 1 268.404 3.132 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CCC[C@H](C#N)CC2)c1O ZINC001138627861 803984661 /nfs/dbraw/zinc/98/46/61/803984661.db2.gz HEGBOAQXXAMAMN-AWEZNQCLSA-N 1 1 270.376 3.246 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001138662185 803995660 /nfs/dbraw/zinc/99/56/60/803995660.db2.gz PWKAPISBOCMGFN-HRCADAONSA-N 1 1 275.367 3.431 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CCC[C@H](CO)CC1 ZINC001138662390 803996250 /nfs/dbraw/zinc/99/62/50/803996250.db2.gz WTKWBDUDUNGLAY-INIZCTEOSA-N 1 1 289.419 3.236 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2c(C)cc(OC)c(C)c2C)C1 ZINC001138725265 804022858 /nfs/dbraw/zinc/02/28/58/804022858.db2.gz SBCHSRDSJKZSNA-INIZCTEOSA-N 1 1 271.404 3.466 20 30 CGEDMO CCCCc1ccc(C[NH+]2CCN(CCC#N)CC2)s1 ZINC001138757024 804032360 /nfs/dbraw/zinc/03/23/60/804032360.db2.gz RMYNIDGIIGYUOC-UHFFFAOYSA-N 1 1 291.464 3.122 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2c3cc[nH]c3ncc2Cl)C1 ZINC001138951092 804077540 /nfs/dbraw/zinc/07/75/40/804077540.db2.gz OVPZRCAMOCQWDW-LLVKDONJSA-N 1 1 288.782 3.294 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[NH2+][C@@H]1CNC[C@@H]2C[C@@H]21 ZINC001246017393 804100495 /nfs/dbraw/zinc/10/04/95/804100495.db2.gz YXCRDRUUMDRRBL-XLAORIBOSA-N 1 1 296.499 3.076 20 30 CGEDMO C#CC(CC)(CC)N[C@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246072636 804110359 /nfs/dbraw/zinc/11/03/59/804110359.db2.gz QHMHNDBTBWLOEF-HNNXBMFYSA-N 1 1 262.441 3.223 20 30 CGEDMO C#CC(CC)(CC)NC1C[C@@H](CC)[NH2+][C@H](CC)C1 ZINC001246073123 804110884 /nfs/dbraw/zinc/11/08/84/804110884.db2.gz VBBOJNLORQAQKW-ZIAGYGMSSA-N 1 1 250.430 3.077 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001139030500 804115018 /nfs/dbraw/zinc/11/50/18/804115018.db2.gz ORMPPUJPUQJHRE-QGZVFWFLSA-N 1 1 273.376 3.006 20 30 CGEDMO O=C1C=C2C[N@@H+](Cc3cc4ccccc4o3)CC[C@@H]2S1 ZINC001139061977 804120201 /nfs/dbraw/zinc/12/02/01/804120201.db2.gz YJMACQXVVOENTK-HNNXBMFYSA-N 1 1 285.368 3.207 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3cc4ccccc4o3)CC[C@@H]2S1 ZINC001139061977 804120206 /nfs/dbraw/zinc/12/02/06/804120206.db2.gz YJMACQXVVOENTK-HNNXBMFYSA-N 1 1 285.368 3.207 20 30 CGEDMO CCn1ccc2c1cccc2C[N@@H+]1CCC[C@@H](C#N)C1 ZINC001139159355 804144864 /nfs/dbraw/zinc/14/48/64/804144864.db2.gz WRVLISYKOLIROY-AWEZNQCLSA-N 1 1 267.376 3.397 20 30 CGEDMO CCn1ccc2c1cccc2C[N@H+]1CCC[C@@H](C#N)C1 ZINC001139159355 804144868 /nfs/dbraw/zinc/14/48/68/804144868.db2.gz WRVLISYKOLIROY-AWEZNQCLSA-N 1 1 267.376 3.397 20 30 CGEDMO CCCCCCC[C@H](CC(C)C)[NH2+]C1(CO)CCNCC1 ZINC001246118534 804151147 /nfs/dbraw/zinc/15/11/47/804151147.db2.gz RFJAZBNQVVSFCP-QGZVFWFLSA-N 1 1 298.515 3.466 20 30 CGEDMO C#CC[NH+](CC#C)Cc1ccc(-c2ccccc2)s1 ZINC001139416447 804188642 /nfs/dbraw/zinc/18/86/42/804188642.db2.gz RVNIRVPHWJFXSW-UHFFFAOYSA-N 1 1 265.381 3.484 20 30 CGEDMO CCCCCCC[C@@H](CC(C)C)[NH2+][C@H]1CN[C@@H](CO)C1 ZINC001246262740 804243659 /nfs/dbraw/zinc/24/36/59/804243659.db2.gz QASMBYATFWMUCY-GVDBMIGSSA-N 1 1 284.488 3.074 20 30 CGEDMO C#C[C@](C)(CC)N[C@@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1 ZINC001246264739 804245859 /nfs/dbraw/zinc/24/58/59/804245859.db2.gz LCFYTTUBGLMZIV-KBAYOESNSA-N 1 1 288.410 3.319 20 30 CGEDMO C#Cc1ccc(CN[C@@H]2CC[NH2+][C@@H](CCCC)C2)cc1 ZINC001246268959 804247438 /nfs/dbraw/zinc/24/74/38/804247438.db2.gz XQKMGCKAICCPSO-ZWKOTPCHSA-N 1 1 270.420 3.068 20 30 CGEDMO N#Cc1c(Cl)cccc1C[N@H+]1CCC2(C1)CCOCC2 ZINC001139691328 804256387 /nfs/dbraw/zinc/25/63/87/804256387.db2.gz UTXWVQOSOJJWRH-UHFFFAOYSA-N 1 1 290.794 3.214 20 30 CGEDMO Cc1ccc(C[N@H+](C)Cc2ccc(C)c(C#N)c2)cn1 ZINC001139726962 804267546 /nfs/dbraw/zinc/26/75/46/804267546.db2.gz DJEIOUYQCRXFAC-UHFFFAOYSA-N 1 1 265.360 3.202 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)[C@@H]1CCC[C@@H]1CCC ZINC001139874367 804305396 /nfs/dbraw/zinc/30/53/96/804305396.db2.gz WHNUDTOFRLPZLN-JKSUJKDBSA-N 1 1 280.456 3.169 20 30 CGEDMO N#Cc1cc(F)cc(C[N@@H+]2CCC[C@@H](F)CC2)c1 ZINC001139873439 804306764 /nfs/dbraw/zinc/30/67/64/804306764.db2.gz PVXBYLHGGBRISD-CYBMUJFWSA-N 1 1 250.292 3.021 20 30 CGEDMO C[N@H+](CCC#N)Cc1ccccc1-c1nccs1 ZINC001140448750 804437726 /nfs/dbraw/zinc/43/77/26/804437726.db2.gz PMVFYZMXUCIMMC-UHFFFAOYSA-N 1 1 257.362 3.156 20 30 CGEDMO C[N@@H+](CCC#N)Cc1ccccc1-c1nccs1 ZINC001140448750 804437728 /nfs/dbraw/zinc/43/77/28/804437728.db2.gz PMVFYZMXUCIMMC-UHFFFAOYSA-N 1 1 257.362 3.156 20 30 CGEDMO CCCCCCC[C@@H](CC(C)C)[N@H+]1CCNC[C@H](O)C1 ZINC001246601807 804438884 /nfs/dbraw/zinc/43/88/84/804438884.db2.gz NLMYWYLTVKLMBI-IRXDYDNUSA-N 1 1 284.488 3.028 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccnn1-c1ccccc1 ZINC001140527837 804452264 /nfs/dbraw/zinc/45/22/64/804452264.db2.gz BDEUZHPTPPLLHK-XGBSXSJOSA-N 1 1 292.386 3.139 20 30 CGEDMO C[C@]1(CF)CC[N@@H+](Cc2cc(C#N)ccc2Cl)C1 ZINC001140600459 804471660 /nfs/dbraw/zinc/47/16/60/804471660.db2.gz KNZDSLZQPYCOJJ-CQSZACIVSA-N 1 1 266.747 3.393 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Cl)ccc1N ZINC001140717030 804496079 /nfs/dbraw/zinc/49/60/79/804496079.db2.gz GGYRRHICEJBMCC-OJNYZHBWSA-N 1 1 275.783 3.189 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2N)CC1 ZINC001140717283 804496369 /nfs/dbraw/zinc/49/63/69/804496369.db2.gz PKJQJMYWHRUVMQ-LLVKDONJSA-N 1 1 263.772 3.048 20 30 CGEDMO C[C@@H]1CCCC[N@@H+](Cc2cc(F)c(C#N)c(F)c2)C1 ZINC001140750886 804505210 /nfs/dbraw/zinc/50/52/10/804505210.db2.gz BBEPLTSMZRCNAZ-LLVKDONJSA-N 1 1 264.319 3.458 20 30 CGEDMO C[N@@H+](CCC1CC1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140756948 804506463 /nfs/dbraw/zinc/50/64/63/804506463.db2.gz VFXLEOOGVBKVGF-UHFFFAOYSA-N 1 1 250.292 3.068 20 30 CGEDMO C=CC[N@H+](Cc1c(OC)cc(O)cc1OC)C(C)(C)C ZINC001140773735 804509659 /nfs/dbraw/zinc/50/96/59/804509659.db2.gz IJRQRQOGBAOBQT-UHFFFAOYSA-N 1 1 279.380 3.196 20 30 CGEDMO CC(C)[N@@H+](C)[C@@H]1CCN(Cc2cccc(C#N)c2Cl)C1 ZINC001140812808 804526251 /nfs/dbraw/zinc/52/62/51/804526251.db2.gz LUZFFPQNVIXSMQ-OAHLLOKOSA-N 1 1 291.826 3.126 20 30 CGEDMO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1Cl ZINC001140812898 804526966 /nfs/dbraw/zinc/52/69/66/804526966.db2.gz NOJNASOTYZQHTE-YIONKMFJSA-N 1 1 290.794 3.353 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCc3cccc(O)c3C2)c1Cl ZINC001140813080 804527234 /nfs/dbraw/zinc/52/72/34/804527234.db2.gz WDSDCTICIRVYJO-UHFFFAOYSA-N 1 1 298.773 3.476 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCc3cccc(O)c3C2)c1Cl ZINC001140813080 804527240 /nfs/dbraw/zinc/52/72/40/804527240.db2.gz WDSDCTICIRVYJO-UHFFFAOYSA-N 1 1 298.773 3.476 20 30 CGEDMO CN1CC[N@H+](C2CCC(C#N)CC2)C[C@@H]1c1ccccc1 ZINC001256968770 807018937 /nfs/dbraw/zinc/01/89/37/807018937.db2.gz MHXSPWOXSORUBT-VMWRSERWSA-N 1 1 283.419 3.057 20 30 CGEDMO Cc1cccc(O[C@H]2CCC[N@H+](C3CCC(C#N)CC3)C2)n1 ZINC001256971680 807020791 /nfs/dbraw/zinc/02/07/91/807020791.db2.gz XZLGFSHYVXTDNL-JCYILVPMSA-N 1 1 299.418 3.316 20 30 CGEDMO C[C@@H]1C[NH2+]C[C@@H](C)N1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246884147 804579899 /nfs/dbraw/zinc/57/98/99/804579899.db2.gz RGYFKSVNBVBDBJ-QAQJPARQSA-N 1 1 297.446 3.267 20 30 CGEDMO CCCCC[N@@H+](C)Cc1sc(N)c(C#N)c1Cl ZINC001141108921 804591932 /nfs/dbraw/zinc/59/19/32/804591932.db2.gz IXYDINWUGFFFNH-UHFFFAOYSA-N 1 1 271.817 3.477 20 30 CGEDMO COc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1F ZINC001141222790 804612949 /nfs/dbraw/zinc/61/29/49/804612949.db2.gz QYNFSEDSHORTCZ-DEZZGGKRSA-N 1 1 274.339 3.101 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]([C@H]1CCNC1)C1CCCCC1 ZINC001246980031 804627063 /nfs/dbraw/zinc/62/70/63/804627063.db2.gz QDKZLHBPACJRRW-ZBFHGGJFSA-N 1 1 250.430 3.338 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]([C@H]1CCNC1)C1CCCCC1 ZINC001246980031 804627066 /nfs/dbraw/zinc/62/70/66/804627066.db2.gz QDKZLHBPACJRRW-ZBFHGGJFSA-N 1 1 250.430 3.338 20 30 CGEDMO C=CC[N@@H+](Cc1cnc(C(F)(F)F)nc1)C(C)(C)C ZINC001141468536 804643986 /nfs/dbraw/zinc/64/39/86/804643986.db2.gz MHQVRNCEPVGCGX-UHFFFAOYSA-N 1 1 273.302 3.282 20 30 CGEDMO C[Si](C)(C)c1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC001141732956 804665296 /nfs/dbraw/zinc/66/52/96/804665296.db2.gz YMRRBFIJWUALKD-HNNXBMFYSA-N 1 1 286.495 3.357 20 30 CGEDMO CCCCCCCCNC(=S)N1CC[N@H+]2CCC[C@H]2C1 ZINC001247154731 804670611 /nfs/dbraw/zinc/67/06/11/804670611.db2.gz UGZCKEHMDDJVLH-HNNXBMFYSA-N 1 1 297.512 3.001 20 30 CGEDMO CSc1nc(C[N@@H+](C)CC2CCCC2)ccc1C#N ZINC001141941585 804680588 /nfs/dbraw/zinc/68/05/88/804680588.db2.gz PVNWRBJFKLQFRV-UHFFFAOYSA-N 1 1 275.421 3.297 20 30 CGEDMO CC[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(SC)n2)C1 ZINC001141941750 804681019 /nfs/dbraw/zinc/68/10/19/804681019.db2.gz WFUOQWKONJTBSQ-LBPRGKRZSA-N 1 1 275.421 3.297 20 30 CGEDMO C#CC[C@H]([NH3+])c1nc(-c2ccc(C)c3ccccc23)no1 ZINC001247610391 804780395 /nfs/dbraw/zinc/78/03/95/804780395.db2.gz ZKYIALVLGNRFNH-HNNXBMFYSA-N 1 1 277.327 3.221 20 30 CGEDMO C[N@H+]1CCC[C@H](CCNc2ccc3nc(C#N)ccc3c2)C1 ZINC001165289565 806987431 /nfs/dbraw/zinc/98/74/31/806987431.db2.gz FTCVTFWHONPUDT-CQSZACIVSA-N 1 1 294.402 3.250 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2ccc3occc3c2)no1 ZINC001247621959 804781655 /nfs/dbraw/zinc/78/16/55/804781655.db2.gz CELZQWHPWSHVGE-LBPRGKRZSA-N 1 1 269.304 3.449 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cc(C)cc(F)c2F)no1 ZINC001247622404 804782714 /nfs/dbraw/zinc/78/27/14/804782714.db2.gz LZXSVPWYWCUUBI-LLVKDONJSA-N 1 1 279.290 3.289 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2ccc3c(c2)N(CC)CC3)no1 ZINC001247622808 804783285 /nfs/dbraw/zinc/78/32/85/804783285.db2.gz SCIURYJYWVNFTL-AWEZNQCLSA-N 1 1 298.390 3.085 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2ccc(C)c(OC)c2)no1 ZINC001247622345 804783463 /nfs/dbraw/zinc/78/34/63/804783463.db2.gz JVFYUGMVRVQZMJ-LBPRGKRZSA-N 1 1 273.336 3.020 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2ccc(C(C)=O)cc2F)no1 ZINC001247623046 804784539 /nfs/dbraw/zinc/78/45/39/804784539.db2.gz WGPVZWNFDMXFND-CYBMUJFWSA-N 1 1 289.310 3.044 20 30 CGEDMO C[N@@H+](Cc1c[nH]c2cc(C#N)ccc12)C1CCCC1 ZINC001142921314 804784757 /nfs/dbraw/zinc/78/47/57/804784757.db2.gz KBGQFNZAXNKIIN-UHFFFAOYSA-N 1 1 253.349 3.414 20 30 CGEDMO CC[C@@H]1CC[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)C1 ZINC001142930299 804786811 /nfs/dbraw/zinc/78/68/11/804786811.db2.gz ITNXXIVBVUCTHH-GFCCVEGCSA-N 1 1 253.349 3.271 20 30 CGEDMO COc1cc(C)c(C[N@H+]2CCC[C@@H](CC#N)C2)c(C)c1 ZINC001142935183 804787803 /nfs/dbraw/zinc/78/78/03/804787803.db2.gz SFUQSWXVWIAMLX-HNNXBMFYSA-N 1 1 272.392 3.438 20 30 CGEDMO Cc1cc(NCC[C@@H]2CCC[N@H+](C)C2)ccc1CC#N ZINC001165290460 806989570 /nfs/dbraw/zinc/98/95/70/806989570.db2.gz VACICHCTYDALDI-HNNXBMFYSA-N 1 1 271.408 3.205 20 30 CGEDMO COCCC1CC[NH+](Cc2c(F)ccc(C#N)c2F)CC1 ZINC001143171498 804814778 /nfs/dbraw/zinc/81/47/78/804814778.db2.gz ZKWKQBUVOWZOOS-UHFFFAOYSA-N 1 1 294.345 3.085 20 30 CGEDMO N#Cc1ccc(F)c(C[NH+]2CCC3(CC3)CC2)c1F ZINC001143167764 804815096 /nfs/dbraw/zinc/81/50/96/804815096.db2.gz YQKUOVSAJQGBND-UHFFFAOYSA-N 1 1 262.303 3.212 20 30 CGEDMO CC(C)(C)c1ccc(-c2noc([C@H]([NH3+])C3CC3)n2)c(C#N)c1 ZINC001247824051 804843054 /nfs/dbraw/zinc/84/30/54/804843054.db2.gz QJQBYDHVFPIDFP-CQSZACIVSA-N 1 1 296.374 3.316 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2ccccc2OC(C)C)no1 ZINC001247962948 804857325 /nfs/dbraw/zinc/85/73/25/804857325.db2.gz FPMXSEBMXWEKJO-LBPRGKRZSA-N 1 1 273.336 3.100 20 30 CGEDMO C=CC(C)(C)CCNC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001248464720 804935620 /nfs/dbraw/zinc/93/56/20/804935620.db2.gz VBHSIBOCEOUWJN-AWEZNQCLSA-N 1 1 295.471 3.008 20 30 CGEDMO Cc1c(O)cccc1C[N@H+](CCC#N)C1CCCC1 ZINC001144116525 804938512 /nfs/dbraw/zinc/93/85/12/804938512.db2.gz MYNSVKDHMDRULV-UHFFFAOYSA-N 1 1 258.365 3.359 20 30 CGEDMO Cc1c(O)cccc1C[N@@H+](CCC#N)C1CCCC1 ZINC001144116525 804938517 /nfs/dbraw/zinc/93/85/17/804938517.db2.gz MYNSVKDHMDRULV-UHFFFAOYSA-N 1 1 258.365 3.359 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cccc3nc(C)ccc23)C1 ZINC001248568810 804953982 /nfs/dbraw/zinc/95/39/82/804953982.db2.gz LHCSCVCUAILIMN-HNNXBMFYSA-N 1 1 264.372 3.388 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H](F)C1 ZINC001248748679 804982579 /nfs/dbraw/zinc/98/25/79/804982579.db2.gz RXYKKXQVKOWEJI-MRXNPFEDSA-N 1 1 260.356 3.445 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCC[C@H](CF)C1 ZINC001248751848 804983835 /nfs/dbraw/zinc/98/38/35/804983835.db2.gz MNMLGSPTZCCDKT-CQSZACIVSA-N 1 1 260.356 3.302 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(-c2ccn(C)n2)cc1 ZINC001248767132 804988198 /nfs/dbraw/zinc/98/81/98/804988198.db2.gz VVOHGWZLRKOJNM-UHFFFAOYSA-N 1 1 269.392 3.485 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cn(C)c3ccnc(Cl)c23)C1 ZINC001248837454 805016361 /nfs/dbraw/zinc/01/63/61/805016361.db2.gz DFHABVMSEZKEER-GFCCVEGCSA-N 1 1 287.794 3.072 20 30 CGEDMO Cc1nc(C[N@@H+]2CCC[C@@H](C#N)CC2)ccc1Cl ZINC001248877369 805031945 /nfs/dbraw/zinc/03/19/45/805031945.db2.gz GSNUDHBLEVSCRM-GFCCVEGCSA-N 1 1 263.772 3.169 20 30 CGEDMO Cc1nc(C[N@H+]2CCC[C@@H](C#N)CC2)ccc1Cl ZINC001248877369 805031956 /nfs/dbraw/zinc/03/19/56/805031956.db2.gz GSNUDHBLEVSCRM-GFCCVEGCSA-N 1 1 263.772 3.169 20 30 CGEDMO N#CC1CC[NH+](Cc2ccc3scnc3c2)CC1 ZINC001144733022 805045731 /nfs/dbraw/zinc/04/57/31/805045731.db2.gz UMSAPLBTMNRGCM-UHFFFAOYSA-N 1 1 257.362 3.032 20 30 CGEDMO CCCCCCC[N@H+]1CCC2(CN(C(=O)CC3CC3)C2)C1 ZINC001146880526 805095771 /nfs/dbraw/zinc/09/57/71/805095771.db2.gz GMMRURUQNMUHSZ-UHFFFAOYSA-N 1 1 292.467 3.291 20 30 CGEDMO C[C@H]1CC([N@@H+](CCC#N)C2CCCC2)C[C@H](C)O1 ZINC001257095184 807049536 /nfs/dbraw/zinc/04/95/36/807049536.db2.gz UFOJQNGVXADOQJ-STQMWFEESA-N 1 1 250.386 3.101 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)CCC3CC3)C2)C1 ZINC001147244472 805117681 /nfs/dbraw/zinc/11/76/81/805117681.db2.gz FZWDNRUSJGKEDK-OAHLLOKOSA-N 1 1 290.451 3.066 20 30 CGEDMO C/C=C(\C)C(=O)N1CC2(C1)CC[N@H+](CCCCCCC)C2 ZINC001147311354 805120862 /nfs/dbraw/zinc/12/08/62/805120862.db2.gz MCEWFHARXYSVSP-FZSIALSZSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)C[C@H](C)CC)C2)C1 ZINC001147435435 805128708 /nfs/dbraw/zinc/12/87/08/805128708.db2.gz QSOCZQCHNMBODK-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1nc2cc(OC)ccc2[nH]1 ZINC001249415270 805144121 /nfs/dbraw/zinc/14/41/21/805144121.db2.gz QMJRGUOKJLZMMX-UHFFFAOYSA-N 1 1 273.380 3.360 20 30 CGEDMO C=CCCCC[N@@H+](C)Cc1nc2ccc(OC)cc2[nH]1 ZINC001249415270 805144130 /nfs/dbraw/zinc/14/41/30/805144130.db2.gz QMJRGUOKJLZMMX-UHFFFAOYSA-N 1 1 273.380 3.360 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1nc2ccc(OC)cc2[nH]1 ZINC001249415270 805144135 /nfs/dbraw/zinc/14/41/35/805144135.db2.gz QMJRGUOKJLZMMX-UHFFFAOYSA-N 1 1 273.380 3.360 20 30 CGEDMO N#Cc1ccc2cc(C[N@H+]3CCCC34CC4)[nH]c2c1 ZINC001249426266 805147414 /nfs/dbraw/zinc/14/74/14/805147414.db2.gz KLBOVMGMDLIPMW-UHFFFAOYSA-N 1 1 251.333 3.168 20 30 CGEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)[C@](C)(F)CCCC)C2)C1 ZINC001147809442 805153056 /nfs/dbraw/zinc/15/30/56/805153056.db2.gz GGORFOMATCVQNA-MRXNPFEDSA-N 1 1 296.430 3.015 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cccc3cnc(SCC)n32)C1 ZINC001249500737 805161472 /nfs/dbraw/zinc/16/14/72/805161472.db2.gz POIWEJITVKRSGI-CQSZACIVSA-N 1 1 299.443 3.292 20 30 CGEDMO C=C[C@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](CCCCC)C2 ZINC001148095215 805163160 /nfs/dbraw/zinc/16/31/60/805163160.db2.gz DXAWUKUQXIMHNI-JKSUJKDBSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCCC(=O)N1CC2(C1)CC[N@H+](CCCCCC)C2 ZINC001148180833 805166475 /nfs/dbraw/zinc/16/64/75/805166475.db2.gz CSDKAWQICWBWCU-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@@](C)(C=C)CC)C2)C1 ZINC001148216320 805168162 /nfs/dbraw/zinc/16/81/62/805168162.db2.gz NBBJBUUGOKYKIO-KRWDZBQOSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCCC1(C(=O)N2CC3(C2)CC[N@H+](CCCC)C3)CC1 ZINC001148220596 805169531 /nfs/dbraw/zinc/16/95/31/805169531.db2.gz CQSICCWQFORUGD-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(CN(C(=O)C(C)(C)CC=C)C2)C1 ZINC001148371243 805177153 /nfs/dbraw/zinc/17/71/53/805177153.db2.gz LCAXPENIAXEGDI-UHFFFAOYSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C)CC(C)C)C2)C1 ZINC001148496273 805189962 /nfs/dbraw/zinc/18/99/62/805189962.db2.gz KZVIPTHVXWBFEW-INIZCTEOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1CCC2(CN(C(=O)CCC3(C)CC3)C2)C1 ZINC001148542565 805194738 /nfs/dbraw/zinc/19/47/38/805194738.db2.gz ICBBICPTBVZNCC-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO CCCCCCCNC(=S)N1CC[C@@H]([N@@H+](C)C(C)C)C1 ZINC001249641336 805197612 /nfs/dbraw/zinc/19/76/12/805197612.db2.gz YNLWQZZKGFPDHY-OAHLLOKOSA-N 1 1 299.528 3.246 20 30 CGEDMO COC(C)(C)[C@H]1CCC[N@H+]1Cc1cccc(C#N)c1F ZINC001249685221 805211838 /nfs/dbraw/zinc/21/18/38/805211838.db2.gz GGSRYUUFEVDVKB-CQSZACIVSA-N 1 1 276.355 3.087 20 30 CGEDMO C=CCC1(C(=O)N2CC3(C2)CC[N@H+](CCC)C3)CCCC1 ZINC001148941742 805216677 /nfs/dbraw/zinc/21/66/77/805216677.db2.gz WTOIXYCNDZYKGX-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO Cc1cc(Nc2ccc(C#N)c(Cl)c2)c[nH+]c1N ZINC001249784754 805243342 /nfs/dbraw/zinc/24/33/42/805243342.db2.gz SHNLMBLGDRAJKK-UHFFFAOYSA-N 1 1 258.712 3.241 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)C(CC)CC ZINC001151981143 805328495 /nfs/dbraw/zinc/32/84/95/805328495.db2.gz SNEQYZHCGYMDRW-CQSZACIVSA-N 1 1 268.445 3.215 20 30 CGEDMO C=CCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1cccc(C)c1 ZINC001152313815 805343812 /nfs/dbraw/zinc/34/38/12/805343812.db2.gz UZNYZZLKPXGNOE-MRXNPFEDSA-N 1 1 288.435 3.288 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1ccsc1C ZINC001153213834 805387085 /nfs/dbraw/zinc/38/70/85/805387085.db2.gz BTQNUYMYTMXFAF-GFCCVEGCSA-N 1 1 280.437 3.073 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)CCCC[C@@H](C)CC ZINC001153571201 805402544 /nfs/dbraw/zinc/40/25/44/805402544.db2.gz UIVJMTDPIAMOKX-DLBZAZTESA-N 1 1 294.483 3.443 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)CC(C)(C)CC ZINC001153575938 805404043 /nfs/dbraw/zinc/40/40/43/805404043.db2.gz RFSZSLQMXNAZLT-CYBMUJFWSA-N 1 1 288.863 3.392 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)CC(C)(C)CC ZINC001153575938 805404045 /nfs/dbraw/zinc/40/40/45/805404045.db2.gz RFSZSLQMXNAZLT-CYBMUJFWSA-N 1 1 288.863 3.392 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)CC1CC1 ZINC001153588422 805405884 /nfs/dbraw/zinc/40/58/84/805405884.db2.gz UHPBHCFYSXNZNE-LLVKDONJSA-N 1 1 286.847 3.002 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)CC(C)(C)C=C ZINC001153608564 805407130 /nfs/dbraw/zinc/40/71/30/805407130.db2.gz IABOWWFSMKLCIM-OAHLLOKOSA-N 1 1 280.456 3.382 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)C1CCCC1 ZINC001153846953 805418174 /nfs/dbraw/zinc/41/81/74/805418174.db2.gz UYUNEJXZQMZHNG-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)c1[nH]c(C)cc1C ZINC001154039393 805428161 /nfs/dbraw/zinc/42/81/61/805428161.db2.gz WMCIHTBKWGBMQH-OAHLLOKOSA-N 1 1 291.439 3.038 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)C(CC)CC ZINC001154088228 805433022 /nfs/dbraw/zinc/43/30/22/805433022.db2.gz UONWCTJVVRRKRG-KGLIPLIRSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)C1(CC(C)C)CCC1 ZINC001154261749 805444549 /nfs/dbraw/zinc/44/45/49/805444549.db2.gz BUZORJIXMQLLPL-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1cc(C)cc(Cl)c1 ZINC001154322163 805447901 /nfs/dbraw/zinc/44/79/01/805447901.db2.gz YSUVCDNVENGUSI-CYBMUJFWSA-N 1 1 294.826 3.275 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)CCC1CC1 ZINC001154751433 805483313 /nfs/dbraw/zinc/48/33/13/805483313.db2.gz WRKANAWUEMYQBP-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO N#CCOc1ccccc1Nc1cc[nH+]cc1C(F)(F)F ZINC001212595434 815080742 /nfs/dbraw/zinc/08/07/42/815080742.db2.gz UCHQBMNJEKORFO-UHFFFAOYSA-N 1 1 293.248 3.168 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)C1(CCCC)CC1 ZINC001155041001 805529175 /nfs/dbraw/zinc/52/91/75/805529175.db2.gz JFZFGVZALNKGFJ-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H](C)[N@@H+](CC)CCCCCF)C1 ZINC001155132861 805544318 /nfs/dbraw/zinc/54/43/18/805544318.db2.gz ZQTPAWDHBXUHRE-OAHLLOKOSA-N 1 1 298.446 3.309 20 30 CGEDMO CN1CC[C@@H](C[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257011254 807025716 /nfs/dbraw/zinc/02/57/16/807025716.db2.gz INTWESBAVMYWBU-IVMQYODDSA-N 1 1 297.446 3.126 20 30 CGEDMO CC[N@@H+](CCN(C)C)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257015292 807027557 /nfs/dbraw/zinc/02/75/57/807027557.db2.gz IQNMZIGGUROTPG-UHFFFAOYSA-N 1 1 299.462 3.468 20 30 CGEDMO C[C@@H]1C[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)CC[C@H]1O ZINC001257016689 807027970 /nfs/dbraw/zinc/02/79/70/807027970.db2.gz HRHCWKUFTYLWKH-YOODTLSXSA-N 1 1 298.430 3.287 20 30 CGEDMO CC[N@@H+](C1CN(C)C1)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257023202 807028821 /nfs/dbraw/zinc/02/88/21/807028821.db2.gz WXRCHYDPMTYRBA-UHFFFAOYSA-N 1 1 297.446 3.220 20 30 CGEDMO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](C(CC)CC)C2 ZINC001257297736 807092209 /nfs/dbraw/zinc/09/22/09/807092209.db2.gz AZNGJDMMAVHBRT-CVEARBPZSA-N 1 1 267.413 3.001 20 30 CGEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H](C)CCC)C2 ZINC001257319623 807104797 /nfs/dbraw/zinc/10/47/97/807104797.db2.gz ANNAPDNNPWQBOI-HRCADAONSA-N 1 1 267.413 3.001 20 30 CGEDMO CCC#C[C@@H](C)[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC001166990371 807121846 /nfs/dbraw/zinc/12/18/46/807121846.db2.gz JTBVFOKUMUZHII-OAHLLOKOSA-N 1 1 279.387 3.032 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC001166990371 807121850 /nfs/dbraw/zinc/12/18/50/807121850.db2.gz JTBVFOKUMUZHII-OAHLLOKOSA-N 1 1 279.387 3.032 20 30 CGEDMO C#C[C@H]1CCCN(c2cc(C)c3ccc(OC)cc3[nH+]2)C1 ZINC001167006105 807128006 /nfs/dbraw/zinc/12/80/06/807128006.db2.gz OSDIGOLBYKJYGE-AWEZNQCLSA-N 1 1 280.371 3.401 20 30 CGEDMO N#Cc1cccc([C@H](O)C[N@H+]2CCC[C@@H]2c2ccsc2)c1 ZINC001167023867 807131432 /nfs/dbraw/zinc/13/14/32/807131432.db2.gz MGZKZSDNWAJMRG-IAGOWNOFSA-N 1 1 298.411 3.490 20 30 CGEDMO CC[C@@H](C)[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001257443562 807159558 /nfs/dbraw/zinc/15/95/58/807159558.db2.gz OLCSZMMKTKVQCE-HIFRSBDPSA-N 1 1 258.365 3.200 20 30 CGEDMO C#CC[N@@H+](CC1(CC#N)CC1)[C@@H]1CCc2ccccc21 ZINC001167178536 807163630 /nfs/dbraw/zinc/16/36/30/807163630.db2.gz DBWBEWKASQUERC-QGZVFWFLSA-N 1 1 264.372 3.303 20 30 CGEDMO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](C1CCCCC1)C2 ZINC001257457971 807167151 /nfs/dbraw/zinc/16/71/51/807167151.db2.gz ORJVQRRNRZHSEC-ROUUACIJSA-N 1 1 293.451 3.393 20 30 CGEDMO C=CC[C@@H]([NH2+][C@@H](C)CC[C@H](C)CCC)C(=O)OC ZINC001257472106 807172644 /nfs/dbraw/zinc/17/26/44/807172644.db2.gz QOZXHYFFDFNPJQ-HZSPNIEDSA-N 1 1 255.402 3.299 20 30 CGEDMO C#CC[N@H+](C)C1CCC(C2CCC3(CC2)OCCO3)CC1 ZINC001257495581 807181450 /nfs/dbraw/zinc/18/14/50/807181450.db2.gz HZPYBCOUQAPMTL-UHFFFAOYSA-N 1 1 291.435 3.044 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001257590550 807201757 /nfs/dbraw/zinc/20/17/57/807201757.db2.gz DNQBAAFWMSRAEP-BTTYYORXSA-N 1 1 282.428 3.281 20 30 CGEDMO C=C1C[C@@H]2CC([NH2+][C@@H](CC)C(=O)OCC)C[C@H](C1)C2 ZINC001257888129 807238719 /nfs/dbraw/zinc/23/87/19/807238719.db2.gz YHDNODBMBKSCEG-IXXDHKBRSA-N 1 1 265.397 3.053 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+](C)Cc3nnc4ccccn43)C[C@H](C1)C2 ZINC001257890913 807241521 /nfs/dbraw/zinc/24/15/21/807241521.db2.gz BZTMOIMNHASHCR-XYPWUTKMSA-N 1 1 296.418 3.296 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CCC[C@H](O)[C@H](C)C3)C[C@H](C1)C2 ZINC001257891811 807242928 /nfs/dbraw/zinc/24/29/28/807242928.db2.gz PEIHQRMPXOMTBA-BJCAYOAGSA-N 1 1 263.425 3.214 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+](CC)CCCN(C)C)C[C@H](C1)C2 ZINC001257894558 807244276 /nfs/dbraw/zinc/24/42/76/807244276.db2.gz ZUHRJHBKFRDINZ-SJPCQFCGSA-N 1 1 264.457 3.395 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+](CC)CCCN(C)C)C[C@H](C1)C2 ZINC001257894558 807244281 /nfs/dbraw/zinc/24/42/81/807244281.db2.gz ZUHRJHBKFRDINZ-SJPCQFCGSA-N 1 1 264.457 3.395 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CC[C@H](CCC(=O)OC)C3)C[C@H](C1)C2 ZINC001257894945 807245535 /nfs/dbraw/zinc/24/55/35/807245535.db2.gz DZFSBNHWXHSLGS-PMRDEQMMSA-N 1 1 291.435 3.396 20 30 CGEDMO C=CCOCC[N@H+](C)[C@@H]1C[C@@H](OCC)C1(CC)CC ZINC001167820867 807254357 /nfs/dbraw/zinc/25/43/57/807254357.db2.gz YDDIRMHTAYNVCS-HUUCEWRRSA-N 1 1 269.429 3.105 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+]([C@H]2COc3ccc(Cl)cc3C2)C1 ZINC001257968219 807259264 /nfs/dbraw/zinc/25/92/64/807259264.db2.gz KASZNOPDVLYMRD-SWLSCSKDSA-N 1 1 290.794 3.269 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+]([C@H]2COc3ccc(Cl)cc3C2)C1 ZINC001257968219 807259268 /nfs/dbraw/zinc/25/92/68/807259268.db2.gz KASZNOPDVLYMRD-SWLSCSKDSA-N 1 1 290.794 3.269 20 30 CGEDMO C=CC[C@H]([NH2+]C1CCC(c2ccccc2)CC1)C(=O)OC ZINC001257993348 807260302 /nfs/dbraw/zinc/26/03/02/807260302.db2.gz MXTSQGARWFBADZ-JCYILVPMSA-N 1 1 287.403 3.420 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1CCC2(C1)OCCO2 ZINC001258047537 807275877 /nfs/dbraw/zinc/27/58/77/807275877.db2.gz LUCNBZWQPGZYHJ-CQSZACIVSA-N 1 1 255.402 3.184 20 30 CGEDMO C[C@@H]1C[C@@H](N2CCC[C@H]2C#N)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168040216 807302764 /nfs/dbraw/zinc/30/27/64/807302764.db2.gz LFMQXIQZGXFQAE-NBMJBFSESA-N 1 1 297.446 3.416 20 30 CGEDMO C=CC[C@@](C)([NH2+][C@H]1CCCC(C)(C)C1)C(=O)OC ZINC001258284071 807395821 /nfs/dbraw/zinc/39/58/21/807395821.db2.gz YLTMCDAMGCISGX-SWLSCSKDSA-N 1 1 253.386 3.053 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1c1ccc(NCC2CC(=O)C2)cc1 ZINC001168395645 807402706 /nfs/dbraw/zinc/40/27/06/807402706.db2.gz FZEDUCBTZSZFTJ-SFHVURJKSA-N 1 1 284.403 3.401 20 30 CGEDMO N#CCCCCNc1[nH+]cccc1C1CCOCC1 ZINC001168429315 807412926 /nfs/dbraw/zinc/41/29/26/807412926.db2.gz PPFVVZDTUYJXBX-UHFFFAOYSA-N 1 1 259.353 3.081 20 30 CGEDMO CSC(C)(C)C[C@@H](C)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001258337582 807417123 /nfs/dbraw/zinc/41/71/23/807417123.db2.gz NMNCCFLXHDTMBX-ZYHUDNBSSA-N 1 1 285.478 3.181 20 30 CGEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@@H](C)CC1CC1)C2 ZINC001258464754 807466664 /nfs/dbraw/zinc/46/66/64/807466664.db2.gz USCLAHFGAVMXEN-XIRDDKMYSA-N 1 1 279.424 3.001 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH2+][C@@H]1C[C@H](C)CC(C)(C)C1)C(=O)OCC ZINC001258689549 807546026 /nfs/dbraw/zinc/54/60/26/807546026.db2.gz GLQIYFHECKSZBA-ZOMKSWQUSA-N 1 1 279.424 3.299 20 30 CGEDMO C=CCC[C@H](C)[NH2+]C1CCN(CC(C)(C)C)CC1 ZINC001258723189 807571525 /nfs/dbraw/zinc/57/15/25/807571525.db2.gz SYBAFZXTTMYXOT-AWEZNQCLSA-N 1 1 252.446 3.441 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](C(=O)OCCCC)C1 ZINC001258735815 807582311 /nfs/dbraw/zinc/58/23/11/807582311.db2.gz CYOLAWFZYQUFPI-ZIAGYGMSSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CCC[C@H](C)[NH2+][C@@H](CCc1ccccc1)C(=O)OCC ZINC001258717501 807567503 /nfs/dbraw/zinc/56/75/03/807567503.db2.gz OWWFAWDRTZFXED-RDJZCZTQSA-N 1 1 289.419 3.495 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(c2ccc(F)cn2)CC1 ZINC001258724976 807573222 /nfs/dbraw/zinc/57/32/22/807573222.db2.gz HEGRDVFTHBWMHJ-AWEZNQCLSA-N 1 1 277.387 3.088 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)OC(C)(C)C)C2(CC2)C1 ZINC001258724777 807573342 /nfs/dbraw/zinc/57/33/42/807573342.db2.gz DVDFRHSJTJGBNB-ZIAGYGMSSA-N 1 1 294.439 3.330 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001258725565 807573750 /nfs/dbraw/zinc/57/37/50/807573750.db2.gz MHDJBLFPMPIXBA-TUVASFSCSA-N 1 1 294.439 3.044 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@@H]1N(C)C(=O)OC(C)(C)C ZINC001258733586 807579578 /nfs/dbraw/zinc/57/95/78/807579578.db2.gz JEBRNZVKCVVXRI-QWHCGFSZSA-N 1 1 268.401 3.240 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1N(C)C(=O)OC(C)(C)C ZINC001258733586 807579579 /nfs/dbraw/zinc/57/95/79/807579579.db2.gz JEBRNZVKCVVXRI-QWHCGFSZSA-N 1 1 268.401 3.240 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCC(=O)c1cccnc1 ZINC001258735184 807580208 /nfs/dbraw/zinc/58/02/08/807580208.db2.gz QRLMWNJPNCNKKJ-AWEZNQCLSA-N 1 1 260.381 3.331 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H](Oc2cccc(OC)n2)C1 ZINC001258733976 807580463 /nfs/dbraw/zinc/58/04/63/807580463.db2.gz PPUDRQLKDGDPIF-CABCVRRESA-N 1 1 290.407 3.288 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H]1C(=O)OC(C)(C)C ZINC001258734602 807580866 /nfs/dbraw/zinc/58/08/66/807580866.db2.gz GIGONMFVIYGRPN-STQMWFEESA-N 1 1 253.386 3.147 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCOC[C@H]1Cc1ccccc1 ZINC001258734011 807580948 /nfs/dbraw/zinc/58/09/48/807580948.db2.gz QBHWIKXMCNJDMN-NVXWUHKLSA-N 1 1 259.393 3.285 20 30 CGEDMO C=CCC[C@@H](C)N(c1cc(OC)ccn1)C1CC[NH2+]CC1 ZINC001258735841 807581707 /nfs/dbraw/zinc/58/17/07/807581707.db2.gz DAPVRPWQHQSECW-CQSZACIVSA-N 1 1 289.423 3.003 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1cnc(OC)c2ccccc12 ZINC001169243828 807612904 /nfs/dbraw/zinc/61/29/04/807612904.db2.gz UWYXRIIDXYSDHJ-UHFFFAOYSA-N 1 1 268.360 3.087 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@H+]([C@H]3CCC[C@H](C)C3)C2)C1=O ZINC001258819691 807635790 /nfs/dbraw/zinc/63/57/90/807635790.db2.gz GMMYFYKBUSIXSS-BQFCYCMXSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@H+]([C@@H]3CCC[C@@H](C)C3)C2)C1=O ZINC001258819694 807635876 /nfs/dbraw/zinc/63/58/76/807635876.db2.gz GMMYFYKBUSIXSS-NUJGCVRESA-N 1 1 290.451 3.066 20 30 CGEDMO C[C@@H]1CCC[C@H]([N@H+]2CCCN(c3ccc(C#N)cn3)CC2)C1 ZINC001258827745 807643268 /nfs/dbraw/zinc/64/32/68/807643268.db2.gz UTMIJPJTZILUEP-WBVHZDCISA-N 1 1 298.434 3.044 20 30 CGEDMO C[N@H+]1CC[C@@H](c2ccc(NC=CC(=O)C(F)(F)F)cc2)C1 ZINC001169481698 807650025 /nfs/dbraw/zinc/65/00/25/807650025.db2.gz SPIYRVWNYSBJJS-WAFBPQNNSA-N 1 1 298.308 3.163 20 30 CGEDMO N#CC1(CC[N@H+]2CC[C@@H]3OCCC[C@H]3C2)CCCCC1 ZINC001261360237 807738120 /nfs/dbraw/zinc/73/81/20/807738120.db2.gz DTUTWICMKJDCRR-HOTGVXAUSA-N 1 1 276.424 3.351 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H]1CC[C@H](C)C1)CC2 ZINC001170138341 807772795 /nfs/dbraw/zinc/77/27/95/807772795.db2.gz QMAXZTHLNOFDMD-BQFCYCMXSA-N 1 1 290.451 3.208 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+]([C@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170716054 807882503 /nfs/dbraw/zinc/88/25/03/807882503.db2.gz OMROTSPKTDIHJD-XJKSGUPXSA-N 1 1 276.330 3.058 20 30 CGEDMO C[C@]1(C#N)CC[N@H+]([C@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170716054 807882510 /nfs/dbraw/zinc/88/25/10/807882510.db2.gz OMROTSPKTDIHJD-XJKSGUPXSA-N 1 1 276.330 3.058 20 30 CGEDMO C#CC[N@H+](C)[C@H]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001171082250 807979638 /nfs/dbraw/zinc/97/96/38/807979638.db2.gz JFZNMWBGQJKTLY-LBPRGKRZSA-N 1 1 268.187 3.416 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)C(=C)C ZINC001263805743 808007212 /nfs/dbraw/zinc/00/72/12/808007212.db2.gz VGIGNJJSICLJPZ-OAHLLOKOSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(CC)CCCCC1 ZINC001263821162 808007833 /nfs/dbraw/zinc/00/78/33/808007833.db2.gz NNOLHJWLAWWGJX-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001171211260 808011577 /nfs/dbraw/zinc/01/15/77/808011577.db2.gz YBOQIZKYFHQSPD-WQVCFCJDSA-N 1 1 290.357 3.466 20 30 CGEDMO Cc1cc2c(cn1)C[N@@H+]([C@@H](C)Cc1cccc(C#N)c1)C2 ZINC001171225238 808014491 /nfs/dbraw/zinc/01/44/91/808014491.db2.gz ZEEVWXRSQKDVRZ-AWEZNQCLSA-N 1 1 277.371 3.209 20 30 CGEDMO Cc1cc2c(cn1)C[N@H+]([C@@H](C)Cc1cccc(C#N)c1)C2 ZINC001171225238 808014498 /nfs/dbraw/zinc/01/44/98/808014498.db2.gz ZEEVWXRSQKDVRZ-AWEZNQCLSA-N 1 1 277.371 3.209 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)C[C@@H](CC)C(C)(C)C)[C@H]1C ZINC001264168067 808043072 /nfs/dbraw/zinc/04/30/72/808043072.db2.gz LNKBRLPGYMOSIC-OAGGEKHMSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[C@H](C=C)CC ZINC001264184426 808046220 /nfs/dbraw/zinc/04/62/20/808046220.db2.gz RZYFMLGZRHVOIL-SJORKVTESA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C1(CC(C)C)CCC1 ZINC001264364513 808060618 /nfs/dbraw/zinc/06/06/18/808060618.db2.gz DFIZIUFOSIRYKC-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO CCc1cccc(NCCOc2ccc(C#N)cc2)[nH+]1 ZINC001171483982 808072224 /nfs/dbraw/zinc/07/22/24/808072224.db2.gz GPNAYKYGEYWFCM-UHFFFAOYSA-N 1 1 267.332 3.007 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC001171491031 808076179 /nfs/dbraw/zinc/07/61/79/808076179.db2.gz RQSONYVWTGKZEQ-GJZGRUSLSA-N 1 1 263.425 3.315 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)CC)[C@H]1CC ZINC001264606455 808080741 /nfs/dbraw/zinc/08/07/41/808080741.db2.gz QHFLRLFFXBHZNQ-HRCADAONSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@H+](CC[C@@H](C)F)[C@@H]2C)CCC1 ZINC001264717848 808088493 /nfs/dbraw/zinc/08/84/93/808088493.db2.gz NEANAENWQFTKHK-KFWWJZLASA-N 1 1 296.430 3.060 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@H+](CC(CC)CC)[C@@H]1C ZINC001264716482 808088744 /nfs/dbraw/zinc/08/87/44/808088744.db2.gz LMBFTXWDSRZLSL-ZBFHGGJFSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1ccoc1C ZINC001264737778 808090549 /nfs/dbraw/zinc/09/05/49/808090549.db2.gz LHRVTCFIWVWQAX-HNNXBMFYSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C(C)C)CC(C)(C)C1 ZINC001264752362 808091095 /nfs/dbraw/zinc/09/10/95/808091095.db2.gz ZICBFMKCDMDDLV-HNNXBMFYSA-N 1 1 294.483 3.461 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](CC[C@H]2CCc3ccccc32)C1 ZINC001171571811 808100760 /nfs/dbraw/zinc/10/07/60/808100760.db2.gz BRYTZERCHDXITN-DOTOQJQBSA-N 1 1 253.389 3.452 20 30 CGEDMO C=CCC[N@@H+](CC)CCCNC(=O)C=C1CCCCC1 ZINC001265104338 808109942 /nfs/dbraw/zinc/10/99/42/808109942.db2.gz OIEUXXAIOYGAQI-UHFFFAOYSA-N 1 1 278.440 3.281 20 30 CGEDMO C=CCC[N@@H+](CC)CCCNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001265113113 808110712 /nfs/dbraw/zinc/11/07/12/808110712.db2.gz ACYJRGIFYSPAOT-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCCNC(=O)[C@H]1CC[C@@H](C)C1 ZINC001265136679 808112290 /nfs/dbraw/zinc/11/22/90/808112290.db2.gz DLAKJTNXUPPFDT-CVEARBPZSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)CCCNC(=O)C1CCC=CCC1 ZINC001265146399 808113510 /nfs/dbraw/zinc/11/35/10/808113510.db2.gz XIWMZRXDCYBKTI-UHFFFAOYSA-N 1 1 298.858 3.314 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)C(=C)C)C1 ZINC001265220159 808120957 /nfs/dbraw/zinc/12/09/57/808120957.db2.gz HRIQUJDKNVVEJI-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO CCCN(CCC#N)[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171763731 808133753 /nfs/dbraw/zinc/13/37/53/808133753.db2.gz QGYNIFSZIWSKJL-SJLPKXTDSA-N 1 1 285.435 3.275 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@@H](C[N@@H+](C)CCCF)C1 ZINC001265395267 808140014 /nfs/dbraw/zinc/14/00/14/808140014.db2.gz SFLHYPINWYCMJK-DOTOQJQBSA-N 1 1 298.446 3.119 20 30 CGEDMO CC#CC[N@@H+](Cc1ccccc1)[C@H]1COC(C)(C)C1 ZINC001171937726 808156292 /nfs/dbraw/zinc/15/62/92/808156292.db2.gz UPMFFTSQGKMZIW-MRXNPFEDSA-N 1 1 257.377 3.079 20 30 CGEDMO CCCCCC[N@H+]1CCC[C@@H](CNC(=O)C#CC(C)C)C1 ZINC001265581841 808157031 /nfs/dbraw/zinc/15/70/31/808157031.db2.gz GZKJRJLSTZTVHQ-KRWDZBQOSA-N 1 1 292.467 3.054 20 30 CGEDMO C=C/C(C)=C/CC(=O)NC[C@H]1CCC[N@H+](CCC(=C)C)C1 ZINC001265589207 808158230 /nfs/dbraw/zinc/15/82/30/808158230.db2.gz OEDUFXDWSUAUHA-QLGNDSFESA-N 1 1 290.451 3.303 20 30 CGEDMO C=CCCCC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H](F)CC ZINC001265652175 808165222 /nfs/dbraw/zinc/16/52/22/808165222.db2.gz SFQXPMCYMZXNQX-CABCVRRESA-N 1 1 284.419 3.062 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C=C(CC)CC)C1 ZINC001265700206 808170392 /nfs/dbraw/zinc/17/03/92/808170392.db2.gz OFPOBWDHHXJHMN-GOEBONIOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@H+]([C@@H]1C[C@H]2CCC[C@@H](C1)N2C)C(C)(C)C ZINC001172131283 808188162 /nfs/dbraw/zinc/18/81/62/808188162.db2.gz VTOLQEBZUUPTNE-QDMKHBRRSA-N 1 1 250.430 3.288 20 30 CGEDMO C=CC(C)(C)CC(=O)NCCC[N@H+](C)CC1CC(C)(C)C1 ZINC001265855460 808188774 /nfs/dbraw/zinc/18/87/74/808188774.db2.gz QYOACRHVRSYPNY-UHFFFAOYSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)[C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172188331 808191465 /nfs/dbraw/zinc/19/14/65/808191465.db2.gz GOPCNDOKZQVVRR-QZTJIDSGSA-N 1 1 298.430 3.218 20 30 CGEDMO C=CC[N@@H+](CC)CCCNC(=O)c1ccc(C2CC2)cc1 ZINC001266112327 808213600 /nfs/dbraw/zinc/21/36/00/808213600.db2.gz LQTAEWRTNLDTSN-UHFFFAOYSA-N 1 1 286.419 3.192 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H](COCC2CC2)C1 ZINC001172311175 808222955 /nfs/dbraw/zinc/22/29/55/808222955.db2.gz QGVZFMMTZFLTLC-BEFAXECRSA-N 1 1 298.430 3.238 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CC=CCC1 ZINC001266198241 808226669 /nfs/dbraw/zinc/22/66/69/808226669.db2.gz BYUKILXZTJLNDM-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001266200483 808227492 /nfs/dbraw/zinc/22/74/92/808227492.db2.gz MXCOVDPATIHQLN-LBPRGKRZSA-N 1 1 296.798 3.093 20 30 CGEDMO Cc1nc2c(s1)C[N@@H+]([C@@H](C)Cc1ccc(C#N)cc1)CC2 ZINC001172319365 808229748 /nfs/dbraw/zinc/22/97/48/808229748.db2.gz NJUUULSEURWKMX-LBPRGKRZSA-N 1 1 297.427 3.313 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)C1CCCCCCC1 ZINC001266295124 808236985 /nfs/dbraw/zinc/23/69/85/808236985.db2.gz AXTSAPNDDLDQFI-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)c2ccsc2Cl)C1 ZINC001266345416 808246506 /nfs/dbraw/zinc/24/65/06/808246506.db2.gz SXXGCPNTXITCBQ-NSHDSACASA-N 1 1 298.839 3.172 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(C)cc1C ZINC001266354582 808248603 /nfs/dbraw/zinc/24/86/03/808248603.db2.gz FFOHYFRXAVPWAF-MRXNPFEDSA-N 1 1 288.435 3.320 20 30 CGEDMO CC[C@H](C)OCC[C@@H](C)[N@H+]1CCC[C@H](C#N)CC1 ZINC001172351925 808249919 /nfs/dbraw/zinc/24/99/19/808249919.db2.gz DXPKEJTUVFFDMV-ILXRZTDVSA-N 1 1 252.402 3.206 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC001172357908 808252768 /nfs/dbraw/zinc/25/27/68/808252768.db2.gz MUEBPACIBUCBMS-IRXDYDNUSA-N 1 1 282.472 3.142 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1C[C@@H]2COC[C@H](C1)C2=O ZINC001172360138 808255463 /nfs/dbraw/zinc/25/54/63/808255463.db2.gz KTUVTFKYHJGBEY-OWCLPIDISA-N 1 1 281.440 3.273 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)[C@@]1(C)CC=CCC1 ZINC001266392701 808255898 /nfs/dbraw/zinc/25/58/98/808255898.db2.gz NSDWUVPQAUAACY-KRWDZBQOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)c1cccc(C(F)F)c1 ZINC001266431275 808262125 /nfs/dbraw/zinc/26/21/25/808262125.db2.gz CRBFKPBSDPYVRZ-UHFFFAOYSA-N 1 1 296.361 3.252 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)c1cc2ccccc2[nH]1 ZINC001266434483 808263636 /nfs/dbraw/zinc/26/36/36/808263636.db2.gz AYVWCNINFQWXLV-UHFFFAOYSA-N 1 1 299.418 3.186 20 30 CGEDMO C=CC[N@@H+](CC)CCNC(=O)c1sccc1C(C)C ZINC001266437488 808264843 /nfs/dbraw/zinc/26/48/43/808264843.db2.gz APYSHXQUXZEIND-UHFFFAOYSA-N 1 1 280.437 3.109 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)CC1=CCCCC1 ZINC001266450123 808266738 /nfs/dbraw/zinc/26/67/38/808266738.db2.gz IUBZNFGVUJGHAK-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)C(C)=C2CCC2)C1 ZINC001266456281 808269597 /nfs/dbraw/zinc/26/95/97/808269597.db2.gz UABJTZZXTSJIFK-MRXNPFEDSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@H]1CCC[N@H+]1CCC(C)C ZINC001266480838 808274633 /nfs/dbraw/zinc/27/46/33/808274633.db2.gz YZWNJAMZVYSFAQ-WBVHZDCISA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(CCC)CCC ZINC001266494071 808275035 /nfs/dbraw/zinc/27/50/35/808275035.db2.gz JRKPSEQNLNUBCE-CALCHBBNSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(CCC)CCC ZINC001266494071 808275038 /nfs/dbraw/zinc/27/50/38/808275038.db2.gz JRKPSEQNLNUBCE-CALCHBBNSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H](CNC(=O)C2(CC=C)CCC2)C1 ZINC001266533948 808282878 /nfs/dbraw/zinc/28/28/78/808282878.db2.gz UBKGBSFBLYSNGC-MRXNPFEDSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](CNC(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001266545908 808283404 /nfs/dbraw/zinc/28/34/04/808283404.db2.gz RCDPINQZJHIZSZ-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)[C@@H](C)c1cccs1)C1CC1 ZINC001266609459 808294816 /nfs/dbraw/zinc/29/48/16/808294816.db2.gz NYARLWWYCHUHGL-ZDUSSCGKSA-N 1 1 292.448 3.008 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@H]1CCC[N@H+](CC(=C)Cl)C1 ZINC001266760648 808313547 /nfs/dbraw/zinc/31/35/47/808313547.db2.gz KCWQGGMXLLJGKX-ZBFHGGJFSA-N 1 1 298.858 3.169 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@H]1CCC[N@@H+](CC(=C)Cl)C1 ZINC001266760648 808313554 /nfs/dbraw/zinc/31/35/54/808313554.db2.gz KCWQGGMXLLJGKX-ZBFHGGJFSA-N 1 1 298.858 3.169 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)/C=C/C(C)(C)C ZINC001266836611 808321359 /nfs/dbraw/zinc/32/13/59/808321359.db2.gz BNQYXZOUUFQUFQ-VFNNOXKTSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)/C=C/C(C)(C)C ZINC001266836611 808321365 /nfs/dbraw/zinc/32/13/65/808321365.db2.gz BNQYXZOUUFQUFQ-VFNNOXKTSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2(C)CCCCC2)C1 ZINC001266895477 808331831 /nfs/dbraw/zinc/33/18/31/808331831.db2.gz OOZUSYWMSAPYKU-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)CC=C)C1 ZINC001266895721 808333297 /nfs/dbraw/zinc/33/32/97/808333297.db2.gz SALLOCYRUZZYAM-CVEARBPZSA-N 1 1 292.467 3.382 20 30 CGEDMO C[C@@H](CCCC#N)[NH2+][C@@H](CCN(C)C)c1ccccc1 ZINC001172479701 808343622 /nfs/dbraw/zinc/34/36/22/808343622.db2.gz KAHVNPNYQRGOSM-RDJZCZTQSA-N 1 1 273.424 3.351 20 30 CGEDMO C[C@@H](CCCC#N)[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001172499990 808356349 /nfs/dbraw/zinc/35/63/49/808356349.db2.gz IAHOMZLFMNPNFE-UONOGXRCSA-N 1 1 295.427 3.010 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@H]1Cc1ccccn1 ZINC001172504314 808361110 /nfs/dbraw/zinc/36/11/10/808361110.db2.gz GKTJIXZJTYYPNP-HOCLYGCPSA-N 1 1 257.381 3.171 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC001172504601 808361174 /nfs/dbraw/zinc/36/11/74/808361174.db2.gz HSRQZLGJIYZBGN-GJZGRUSLSA-N 1 1 257.381 3.343 20 30 CGEDMO CCCCCCCC[C@@H](CC)[N@H+]1CC[C@@H](C(N)=O)C1 ZINC001172505853 808362992 /nfs/dbraw/zinc/36/29/92/808362992.db2.gz WEQRKLQOFAWMDL-HUUCEWRRSA-N 1 1 268.445 3.323 20 30 CGEDMO CCCCCCC[C@H](CCC)[N@H+]1CCO[C@H](CO)C1 ZINC001172507863 808364459 /nfs/dbraw/zinc/36/44/59/808364459.db2.gz BZZJMHHPEHSJQS-HOTGVXAUSA-N 1 1 271.445 3.209 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001172509874 808366316 /nfs/dbraw/zinc/36/63/16/808366316.db2.gz SILWEYRCTFRHNN-NZSAHSFTSA-N 1 1 297.446 3.275 20 30 CGEDMO CCCCCCC[C@H](CCC)[N@H+]1CC[C@@H](C(N)=O)C1 ZINC001172512088 808367813 /nfs/dbraw/zinc/36/78/13/808367813.db2.gz YRHOSLHWQGRCES-CABCVRRESA-N 1 1 268.445 3.323 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)/C=C(\C)CC ZINC001267164444 808372387 /nfs/dbraw/zinc/37/23/87/808372387.db2.gz JPPXEFBBZPHIFM-IYOXOMEYSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@](C)(C=C)CC ZINC001267175641 808373128 /nfs/dbraw/zinc/37/31/28/808373128.db2.gz XJFQEYCDOSAMPV-WBVHZDCISA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)CCCC#CC ZINC001267173077 808373641 /nfs/dbraw/zinc/37/36/41/808373641.db2.gz FGSBILNRRREQAI-QGZVFWFLSA-N 1 1 290.451 3.117 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)c1cc(F)ccc1CC ZINC001267205645 808380656 /nfs/dbraw/zinc/38/06/56/808380656.db2.gz SJAAIAOHJSCXAV-UHFFFAOYSA-N 1 1 292.398 3.016 20 30 CGEDMO C=CCC[N@H+](C)CCNC(=O)[C@H](C)CCC(C)(C)C ZINC001267226284 808385196 /nfs/dbraw/zinc/38/51/96/808385196.db2.gz QNNHPEDCAKCAGT-CQSZACIVSA-N 1 1 268.445 3.073 20 30 CGEDMO C=CC[N@@H+](C)CCNC(=O)c1cccc(C2CCCC2)c1 ZINC001267226058 808386305 /nfs/dbraw/zinc/38/63/05/808386305.db2.gz LUBZOAXHGBFGJA-UHFFFAOYSA-N 1 1 286.419 3.192 20 30 CGEDMO C=C(C)C[N@@H+](C)CCNC(=O)C(C)(C)C1CCCCC1 ZINC001267220864 808386613 /nfs/dbraw/zinc/38/66/13/808386613.db2.gz JZEVIEHOSMHNSO-UHFFFAOYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001267251239 808394242 /nfs/dbraw/zinc/39/42/42/808394242.db2.gz ZIZGADQLIJADRG-FVQHAEBGSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@@H+](CC)CCNC(=O)[C@H](C)c1cccc(Cl)c1 ZINC001267256470 808398000 /nfs/dbraw/zinc/39/80/00/808398000.db2.gz YBYSMBALNOJLIF-CYBMUJFWSA-N 1 1 294.826 3.068 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)c1cccc(C)c1C ZINC001267255089 808398147 /nfs/dbraw/zinc/39/81/47/808398147.db2.gz QUEYPHVTPYXIGG-UHFFFAOYSA-N 1 1 288.435 3.321 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1C ZINC001267261730 808399553 /nfs/dbraw/zinc/39/95/53/808399553.db2.gz XYUPTIRDXODWNW-QGZVFWFLSA-N 1 1 286.419 3.042 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)C(CC)(CC)CC ZINC001267279782 808402612 /nfs/dbraw/zinc/40/26/12/808402612.db2.gz LCNZCPFMRFOFLG-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H](CC)CCCC ZINC001267274855 808403444 /nfs/dbraw/zinc/40/34/44/808403444.db2.gz DACRMNYMRFFJQN-IRXDYDNUSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)c1cc2cc(C)ccc2[nH]1 ZINC001267316035 808411856 /nfs/dbraw/zinc/41/18/56/808411856.db2.gz CTHOUKNOHPQPRH-UHFFFAOYSA-N 1 1 299.418 3.104 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)C[C@@H]1CCCC[C@H]1C ZINC001267320260 808413966 /nfs/dbraw/zinc/41/39/66/808413966.db2.gz CWGFMHMIJUUNDL-CVEARBPZSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCC[N@H+](CCNC(=O)c1cscc1C)C1CC1 ZINC001267324052 808414994 /nfs/dbraw/zinc/41/49/94/808414994.db2.gz ZCCHMWUZDIYYLS-UHFFFAOYSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)C[N@H+](CCNC(=O)c1ccccc1CC)C1CC1 ZINC001267331192 808415274 /nfs/dbraw/zinc/41/52/74/808415274.db2.gz ASCPPOHGJJPHBR-UHFFFAOYSA-N 1 1 286.419 3.019 20 30 CGEDMO C=CCC(CC=C)C(=O)N(CCC)[C@@H]1CC[N@H+](C(C)C)C1 ZINC001267459828 808429218 /nfs/dbraw/zinc/42/92/18/808429218.db2.gz NSZVKFSQXUWRKI-QGZVFWFLSA-N 1 1 292.467 3.476 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)C2(F)CCCCC2)C1 ZINC001267487369 808431930 /nfs/dbraw/zinc/43/19/30/808431930.db2.gz CARQJZNLGMVYOS-HNNXBMFYSA-N 1 1 296.430 3.158 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](N(CCC)C(=O)C2CCC2)C1 ZINC001267539751 808442377 /nfs/dbraw/zinc/44/23/77/808442377.db2.gz PVCUCAWOZDYTDM-WBVHZDCISA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)C2(CCC)CC2)C1 ZINC001267565589 808448467 /nfs/dbraw/zinc/44/84/67/808448467.db2.gz QDVNOSNCTCWGOW-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO Cc1ccc2c(c1)C[C@@H]([N@H+]1CCC3SC(=O)C=C3C1)CC2 ZINC001172829152 808449943 /nfs/dbraw/zinc/44/99/43/808449943.db2.gz ATTNQKCFWVVIHT-IRXDYDNUSA-N 1 1 299.439 3.126 20 30 CGEDMO C=CCCCC(=O)N1CCC(C[N@@H+](C)C/C=C\Cl)CC1 ZINC001267603347 808457011 /nfs/dbraw/zinc/45/70/11/808457011.db2.gz PROIQQPLMJHDRK-POHAHGRESA-N 1 1 298.858 3.266 20 30 CGEDMO C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@@H](C)[C@H](C)CC)CC1 ZINC001267602799 808457436 /nfs/dbraw/zinc/45/74/36/808457436.db2.gz LODRVVVUQMADFE-CVEARBPZSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001267618288 808458234 /nfs/dbraw/zinc/45/82/34/808458234.db2.gz ZZHFZQGFWDRYSJ-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)CCC2CCC2)C1 ZINC001267638139 808462183 /nfs/dbraw/zinc/46/21/83/808462183.db2.gz JTKRNGDDOCRWRN-QGZVFWFLSA-N 1 1 292.467 3.313 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)C2(C)CC=CC2)C1 ZINC001267659438 808465685 /nfs/dbraw/zinc/46/56/85/808465685.db2.gz TWYUCIMTFUHJIC-UHFFFAOYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H](C[N@H+](C)C[C@@H](C)CC)C1 ZINC001267683584 808470759 /nfs/dbraw/zinc/47/07/59/808470759.db2.gz LIGLJSPCXYPCAY-JKSUJKDBSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@@H](C[N@H+](C)CC[C@@H](C)F)C1 ZINC001267690017 808471244 /nfs/dbraw/zinc/47/12/44/808471244.db2.gz KRHACWGMSCLCCU-CABCVRRESA-N 1 1 298.446 3.117 20 30 CGEDMO C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@](C)(CC)CCC)C1 ZINC001267696527 808472401 /nfs/dbraw/zinc/47/24/01/808472401.db2.gz HPKFDUVTFWUNLG-FUHWJXTLSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(CC)CCC1 ZINC001267711348 808474976 /nfs/dbraw/zinc/47/49/76/808474976.db2.gz SQHMORPCZIIRFN-JYJNAYRXSA-N 1 1 290.451 3.207 20 30 CGEDMO C=C/C(C)=C\CC(=O)N(CC)[C@@H]1CC[N@H+](CC(=C)Cl)C1 ZINC001267788671 808491969 /nfs/dbraw/zinc/49/19/69/808491969.db2.gz BZKMLAWGYRHRAD-LPYTZGJOSA-N 1 1 296.842 3.184 20 30 CGEDMO C=C/C(C)=C\CC(=O)N(CC)[C@@H]1CC[N@@H+](CC(=C)Cl)C1 ZINC001267788671 808491974 /nfs/dbraw/zinc/49/19/74/808491974.db2.gz BZKMLAWGYRHRAD-LPYTZGJOSA-N 1 1 296.842 3.184 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H](CC)SC)C1 ZINC001267784163 808492511 /nfs/dbraw/zinc/49/25/11/808492511.db2.gz NXTOOBHUMJAELU-CABCVRRESA-N 1 1 298.496 3.017 20 30 CGEDMO CC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172988217 808496577 /nfs/dbraw/zinc/49/65/77/808496577.db2.gz IVQTWRAPGFGNEW-MJBXVCDLSA-N 1 1 295.427 3.008 20 30 CGEDMO CC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172988216 808497504 /nfs/dbraw/zinc/49/75/04/808497504.db2.gz IVQTWRAPGFGNEW-MCIONIFRSA-N 1 1 295.427 3.008 20 30 CGEDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](CC#N)C1 ZINC001173228425 808541348 /nfs/dbraw/zinc/54/13/48/808541348.db2.gz WMLBDWOLOCPSFL-DZGCQCFKSA-N 1 1 287.363 3.151 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](CC)C(C)C)C1 ZINC001268114650 808544870 /nfs/dbraw/zinc/54/48/70/808544870.db2.gz WFOROECTZLXINQ-JKSUJKDBSA-N 1 1 280.456 3.215 20 30 CGEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)CCCCC(C)(C)C)C1 ZINC001268195426 808554351 /nfs/dbraw/zinc/55/43/51/808554351.db2.gz VADCNXXMYVXWMN-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC(=O)N(C)CC[N@@H+](C)Cc1ccc(C)cc1C ZINC001268232940 808564147 /nfs/dbraw/zinc/56/41/47/808564147.db2.gz NWCAVLGDPKUZHE-UHFFFAOYSA-N 1 1 288.435 3.160 20 30 CGEDMO C=CC(C)(C)C(=O)N(C)CC[N@@H+](C)Cc1ccc(C)cc1 ZINC001268244343 808565961 /nfs/dbraw/zinc/56/59/61/808565961.db2.gz AMZIFQJSCUQODV-UHFFFAOYSA-N 1 1 288.435 3.097 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)[C@@H](C)CCC(C)(C)C ZINC001268255199 808569274 /nfs/dbraw/zinc/56/92/74/808569274.db2.gz SFGFNMAKHHLDHM-HNNXBMFYSA-N 1 1 282.472 3.415 20 30 CGEDMO CCCCCCCCC[C@H](CCC)[NH2+]C[C@H](O)CN ZINC001173284703 808585508 /nfs/dbraw/zinc/58/55/08/808585508.db2.gz HVZDHVMZCFXSBB-JKSUJKDBSA-N 1 1 272.477 3.205 20 30 CGEDMO C=CCOC1CCC([N@@H+]2CCC[C@H]2C(C)(C)OC)CC1 ZINC001173323549 808611267 /nfs/dbraw/zinc/61/12/67/808611267.db2.gz AZPMGMVYBUZFFB-GPANFISMSA-N 1 1 281.440 3.390 20 30 CGEDMO C=CCOC1CCC([N@H+](CCCCCO)C(C)C)CC1 ZINC001173322405 808611601 /nfs/dbraw/zinc/61/16/01/808611601.db2.gz DIVJMLJGFAJPHX-UHFFFAOYSA-N 1 1 283.456 3.373 20 30 CGEDMO C=CCOC1CCC([N@H+]2CCC[C@H](CF)C2)CC1 ZINC001173327174 808612732 /nfs/dbraw/zinc/61/27/32/808612732.db2.gz IELGCFWIHDFMCB-WLYUNCDWSA-N 1 1 255.377 3.182 20 30 CGEDMO C=CCOC1CCC([N@@H+]2CCc3nc(C)sc3C2)CC1 ZINC001173327116 808613235 /nfs/dbraw/zinc/61/32/35/808613235.db2.gz GDHGJEFHBLXCAE-UHFFFAOYSA-N 1 1 292.448 3.323 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)C1C(C)(C)C1(C)C ZINC001268725254 808615880 /nfs/dbraw/zinc/61/58/80/808615880.db2.gz RBCGCRNHKUWRAA-ZDUSSCGKSA-N 1 1 280.456 3.071 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)c1ccccc1C(C)C ZINC001268731914 808618127 /nfs/dbraw/zinc/61/81/27/808618127.db2.gz CMHPFJKWIRLBGP-OAHLLOKOSA-N 1 1 288.435 3.436 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)c1sccc1Cl ZINC001268731065 808618690 /nfs/dbraw/zinc/61/86/90/808618690.db2.gz LSXDTFKZEABGKY-JTQLQIEISA-N 1 1 286.828 3.028 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)CCCc1ccsc1 ZINC001268736247 808618729 /nfs/dbraw/zinc/61/87/29/808618729.db2.gz QOLKMWVXQFRRGO-CQSZACIVSA-N 1 1 294.464 3.083 20 30 CGEDMO N#CCC1CCC([N@H+]2CC[C@H](C(F)(F)F)C2)CC1 ZINC001173338167 808618823 /nfs/dbraw/zinc/61/88/23/808618823.db2.gz AJFBGTLBRLKYTB-CXQJBGSLSA-N 1 1 260.303 3.343 20 30 CGEDMO N#CCC1CCC([N@H+]2CCC[C@@H]2c2ncccn2)CC1 ZINC001173338282 808618881 /nfs/dbraw/zinc/61/88/81/808618881.db2.gz GYAGUWBPNQIPJU-YMAMQOFZSA-N 1 1 270.380 3.086 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2(CC(C)C)CCC2)C1 ZINC001269042148 808644189 /nfs/dbraw/zinc/64/41/89/808644189.db2.gz NZPVAXYVPKHQEU-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCCCCCCCC(=O)N1CC2(C1)CC[N@@H+](C)C2 ZINC001269127275 808648514 /nfs/dbraw/zinc/64/85/14/808648514.db2.gz QSVUECBKZVRMCL-UHFFFAOYSA-N 1 1 280.456 3.291 20 30 CGEDMO CC#CC[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)CC(C)(C)C)C1 ZINC001269297135 808665026 /nfs/dbraw/zinc/66/50/26/808665026.db2.gz VETDSXVDQNLZOR-HNNXBMFYSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)/C=C(/C)CC)C2)C1 ZINC001269693683 808697253 /nfs/dbraw/zinc/69/72/53/808697253.db2.gz XYVJCZYOKFPEIE-ZUTYSQTGSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)C(CC(C)C)CC(C)C)C1 ZINC001270663867 808741547 /nfs/dbraw/zinc/74/15/47/808741547.db2.gz GHEOKEWHKAFHSP-GOSISDBHSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)CCC(=O)NC[C@]1(C)CCC[N@H+](CC(C)C)C1 ZINC001270965792 808756527 /nfs/dbraw/zinc/75/65/27/808756527.db2.gz PEJCCRIMCHFCGI-KRWDZBQOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@]1(C)CCC[N@H+](CC[C@H](C)F)C1 ZINC001270965626 808756844 /nfs/dbraw/zinc/75/68/44/808756844.db2.gz LXFZPPSKAYQHRV-DOTOQJQBSA-N 1 1 298.446 3.309 20 30 CGEDMO CC#CC[N@H+](C)CCC1CCN(C(=O)C[C@@H](C)CC)CC1 ZINC001271771894 808784021 /nfs/dbraw/zinc/78/40/21/808784021.db2.gz BSTQAKITCDLPMW-INIZCTEOSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)/C(C)=C/CC ZINC001272003049 808792788 /nfs/dbraw/zinc/79/27/88/808792788.db2.gz BLFFNCGUYIMGDJ-JRLUYGLASA-N 1 1 290.451 3.374 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](CC)CCC ZINC001272043177 808794645 /nfs/dbraw/zinc/79/46/45/808794645.db2.gz LGSODYNHPKRYDV-IXDOHACOSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)[C@H](C)c1cccc(C)c1 ZINC001272117735 808797577 /nfs/dbraw/zinc/79/75/77/808797577.db2.gz OYGRZPXZCQSMRG-MRXNPFEDSA-N 1 1 288.435 3.065 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)CCN(C)C(=O)[C@H](C)C(C)C ZINC001272125614 808797908 /nfs/dbraw/zinc/79/79/08/808797908.db2.gz KEWFNCHLQSBWFR-LSDHHAIUSA-N 1 1 268.445 3.023 20 30 CGEDMO C=CCN1c2ccccc2[C@@]2(CC[N@H+](C[C@H](C)CC)C2)C1=O ZINC001272419954 808807203 /nfs/dbraw/zinc/80/72/03/808807203.db2.gz JYJUZDWAXRAAKD-BEFAXECRSA-N 1 1 298.430 3.209 20 30 CGEDMO C=C(C)CN1CC[C@@]2(CCC[N@H+](C[C@@H](C)CC)CC2)C1=O ZINC001272422495 808807250 /nfs/dbraw/zinc/80/72/50/808807250.db2.gz SDPSAMKFEFBLKA-WMZOPIPTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CCCCCC ZINC001272475680 808811770 /nfs/dbraw/zinc/81/17/70/808811770.db2.gz GPJYCVZGYWXZJG-KRWDZBQOSA-N 1 1 278.440 3.210 20 30 CGEDMO C=CCCCCCC[N@H+]1CC[C@@]2(CCN(CC=C)C2=O)C1 ZINC001272702034 808821368 /nfs/dbraw/zinc/82/13/68/808821368.db2.gz NSPYFCKRDKUOIM-GOSISDBHSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C2(CC(C)C)CCC2)CC1 ZINC001273428155 808844997 /nfs/dbraw/zinc/84/49/97/808844997.db2.gz NHIZHNAVPIVEDS-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)C(C)C)CC1 ZINC001273455806 808846998 /nfs/dbraw/zinc/84/69/98/808846998.db2.gz AELSGVJTARAKRI-ZIAGYGMSSA-N 1 1 286.847 3.002 20 30 CGEDMO C=C(C)CN1CC[C@@]2(CCC[N@H+]2CC2CCCCC2)C1=O ZINC001273508788 808850165 /nfs/dbraw/zinc/85/01/65/808850165.db2.gz GVSJTOWIDJMYNI-SFHVURJKSA-N 1 1 290.451 3.210 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CCCCC)C(C)(C)C1 ZINC001274417761 808875878 /nfs/dbraw/zinc/87/58/78/808875878.db2.gz XXCCKTQRXLPMMS-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@](C)(C=C)CC)C(C)(C)C1 ZINC001274446620 808876296 /nfs/dbraw/zinc/87/62/96/808876296.db2.gz RNNUCBVOQRNAPH-CRAIPNDOSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)C2(C)CCC2)C[C@@H]1C ZINC001274632814 808880364 /nfs/dbraw/zinc/88/03/64/808880364.db2.gz BJNYUQKZMSCQNI-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@H+](CC)CC1CCN(C(=O)C(C)(C)C2CC2)CC1 ZINC001274956040 808893367 /nfs/dbraw/zinc/89/33/67/808893367.db2.gz WGWLTCWXDGDTJT-UHFFFAOYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+](CC)CC1CCN(C(=O)C2(C)CCCC2)CC1 ZINC001274954897 808893545 /nfs/dbraw/zinc/89/35/45/808893545.db2.gz CBYVFKRDLKWVBQ-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](CC)CC(C)C ZINC001275160508 808919420 /nfs/dbraw/zinc/91/94/20/808919420.db2.gz NKOJPXDPTWFKRQ-IAGOWNOFSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@H](C)NC(=O)c1ccsc1C ZINC001275551923 808947445 /nfs/dbraw/zinc/94/74/45/808947445.db2.gz MHUBCVRBCVPIGP-STQMWFEESA-N 1 1 294.464 3.461 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(C)cc1 ZINC001275565041 808948483 /nfs/dbraw/zinc/94/84/83/808948483.db2.gz ACLISPRQTKAYIX-INIZCTEOSA-N 1 1 288.435 3.288 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)Cc1ccccc1 ZINC001275593128 808950034 /nfs/dbraw/zinc/95/00/34/808950034.db2.gz YNDJTLVXYPIRPP-JKSUJKDBSA-N 1 1 288.435 3.020 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cccc2[nH]ccc21 ZINC001275659468 808956381 /nfs/dbraw/zinc/95/63/81/808956381.db2.gz VLXUGKKXXIVXME-CQSZACIVSA-N 1 1 299.418 3.184 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC1(C)C ZINC001275904678 808975255 /nfs/dbraw/zinc/97/52/55/808975255.db2.gz MQUQYUDRFXYWFL-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)/C=C/C(C)(C)C ZINC001276809658 809032850 /nfs/dbraw/zinc/03/28/50/809032850.db2.gz MATRFAAGGNACPZ-WWUQSUGHSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H]2C[C@]21C(=O)NC(C)(C)C ZINC001277151519 809058949 /nfs/dbraw/zinc/05/89/49/809058949.db2.gz KRTNDGGXPRCVOK-WMLDXEAASA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H]2C[C@]21C(=O)N(CC)C(C)C ZINC001277153333 809060289 /nfs/dbraw/zinc/06/02/89/809060289.db2.gz ZVYMHPWLZPRSBT-FUHWJXTLSA-N 1 1 292.467 3.454 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@@H]2C[C@@]21C(=O)N(C)C ZINC001277232904 809064714 /nfs/dbraw/zinc/06/47/14/809064714.db2.gz DNZONCLSCVYAEC-WBVHZDCISA-N 1 1 280.456 3.290 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC)C1 ZINC001277286271 809067403 /nfs/dbraw/zinc/06/74/03/809067403.db2.gz XCHYUOSATWUKIH-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO C#CCC[N@H+](CCNC(=O)C(C)(C)C)C1CCCCCC1 ZINC001277381805 809070564 /nfs/dbraw/zinc/07/05/64/809070564.db2.gz CDFOOXPFYAYKCQ-UHFFFAOYSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)C/C=C(\C)C=C)CC1 ZINC001277423938 809073507 /nfs/dbraw/zinc/07/35/07/809073507.db2.gz XWIBMSCCRSQDBG-CXUHLZMHSA-N 1 1 290.451 3.398 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](C)CC)C1 ZINC001278364331 809129044 /nfs/dbraw/zinc/12/90/44/809129044.db2.gz VHANYFNCDONWHK-NVXWUHKLSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C=C)cc2)C1 ZINC001278426901 809132743 /nfs/dbraw/zinc/13/27/43/809132743.db2.gz LPGWYLXTDSBBAV-IBGZPJMESA-N 1 1 298.430 3.490 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1CCC[N@H+](CCCCCC)[C@H]1C ZINC001278505857 809139406 /nfs/dbraw/zinc/13/94/06/809139406.db2.gz LRNFWXXMTUNWFE-DLBZAZTESA-N 1 1 292.467 3.339 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)CCC=C)C[C@H]2C1 ZINC001279348115 809171039 /nfs/dbraw/zinc/17/10/39/809171039.db2.gz YGFVUVIAHFTYFN-CALCHBBNSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCF ZINC001279585463 809175712 /nfs/dbraw/zinc/17/57/12/809175712.db2.gz BQYHMRIWMJAEGE-CABCVRRESA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC[C@H]1CC[N@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC001174891236 809192705 /nfs/dbraw/zinc/19/27/05/809192705.db2.gz RCOBMKAVCUQUNI-UONOGXRCSA-N 1 1 251.414 3.478 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)C)C[C@H]1C ZINC001281650739 809217022 /nfs/dbraw/zinc/21/70/22/809217022.db2.gz FXHQDPSYZNIUAL-HUUCEWRRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CC(C)=C(C)C)C[C@@H]1C ZINC001281669909 809217666 /nfs/dbraw/zinc/21/76/66/809217666.db2.gz KOFBKJQXVBYYBR-JKSUJKDBSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC(C)=C(C)C)C[C@@H]1C ZINC001281669906 809218259 /nfs/dbraw/zinc/21/82/59/809218259.db2.gz KOFBKJQXVBYYBR-HOTGVXAUSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCC1(C(=O)N2CCC[C@H]2C[N@H+](C)CC(=C)C)CCC1 ZINC001281957744 809226798 /nfs/dbraw/zinc/22/67/98/809226798.db2.gz UMQDETHBASRGEI-INIZCTEOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C1CCC(C(=O)NC[C@H](C)[N@H+](C)CCCCC)CC1 ZINC001282454803 809248594 /nfs/dbraw/zinc/24/85/94/809248594.db2.gz INMYEXOEFWMVGR-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)C12CCC(CC1)C2(C)C ZINC001282465229 809249624 /nfs/dbraw/zinc/24/96/24/809249624.db2.gz QHCRFAFWGQJJHE-KSTDHSDQSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)C12CCC(CC1)C2(C)C ZINC001282465230 809250058 /nfs/dbraw/zinc/25/00/58/809250058.db2.gz QHCRFAFWGQJJHE-SYJJWHGVSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCCC1(C)C ZINC001282496056 809250967 /nfs/dbraw/zinc/25/09/67/809250967.db2.gz HWHXGVMVLXEXMU-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](CCC)C(C)C)C(C)(C)C1 ZINC001282823657 809265136 /nfs/dbraw/zinc/26/51/36/809265136.db2.gz WUQWXBDFHHUBBR-JKSUJKDBSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[C@H](CC)C(C)C)C(C)(C)C1 ZINC001282833147 809265773 /nfs/dbraw/zinc/26/57/73/809265773.db2.gz NDQBYEYTCKRIBR-JKSUJKDBSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC([N@H+](C)C[C@@H](F)CC)CC1 ZINC001283324769 809275172 /nfs/dbraw/zinc/27/51/72/809275172.db2.gz DWUTWYJSSMDJBS-WMLDXEAASA-N 1 1 298.446 3.260 20 30 CGEDMO C=C(C)CC[N@H+](C)C1CCN(C(=O)C2(C)CCCC2)CC1 ZINC001283318679 809275960 /nfs/dbraw/zinc/27/59/60/809275960.db2.gz CZRVJZIWNFZCFY-UHFFFAOYSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)CCCC2CC2)CC1 ZINC001283325796 809276630 /nfs/dbraw/zinc/27/66/30/809276630.db2.gz SLWSCGWHLFEJJF-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CCC(=O)N[C@]12CCC[C@H]1[N@@H+](CC(C)C)CC2 ZINC001284057226 809295174 /nfs/dbraw/zinc/29/51/74/809295174.db2.gz KGTZBDVUQAUUHA-WBVHZDCISA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC(=O)N[C@H]1CCC[N@H+](CC(CC)CC)[C@@H]1C ZINC001284117621 809296116 /nfs/dbraw/zinc/29/61/16/809296116.db2.gz GSIDDXMNXXMUNY-ZBFHGGJFSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)CCC)[C@@H]1C ZINC001284133096 809297653 /nfs/dbraw/zinc/29/76/53/809297653.db2.gz UGRQZNPQDBUAFH-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)[C@H](C)C(C)(F)F)C(C)C ZINC001284543298 809308190 /nfs/dbraw/zinc/30/81/90/809308190.db2.gz AJHAONKTWJMSJR-ZDUSSCGKSA-N 1 1 290.398 3.023 20 30 CGEDMO C=CC[C@H](C)N1CCCc2c3[nH+]cn(C)c3ccc21 ZINC001176921658 809769147 /nfs/dbraw/zinc/76/91/47/809769147.db2.gz PPOZPWXHXQKSFK-LBPRGKRZSA-N 1 1 255.365 3.291 20 30 CGEDMO C=C1CC=C(F)C=C1NC(=O)CC[N@H+](C)CCCCC ZINC001181868930 810077059 /nfs/dbraw/zinc/07/70/59/810077059.db2.gz PGQAZMOTOYGWBZ-UHFFFAOYSA-N 1 1 280.387 3.312 20 30 CGEDMO CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc([C@@H](C)C#N)cc1 ZINC001181997611 810088443 /nfs/dbraw/zinc/08/84/43/810088443.db2.gz IVQSRAWUQWTPGQ-XJKSGUPXSA-N 1 1 285.391 3.127 20 30 CGEDMO CC#CCCCCCCCC(=O)NCC[C@@H]1CCC[N@H+]1C ZINC001182770398 810123698 /nfs/dbraw/zinc/12/36/98/810123698.db2.gz NCTVJFYVVQCEOQ-KRWDZBQOSA-N 1 1 292.467 3.341 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1cc(C(F)(F)F)n[nH]1 ZINC001184187102 810180738 /nfs/dbraw/zinc/18/07/38/810180738.db2.gz BMKDRFFHAXKRMM-UHFFFAOYSA-N 1 1 261.291 3.217 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC001188676580 810503661 /nfs/dbraw/zinc/50/36/61/810503661.db2.gz SLODKARCZHXEBI-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)CC(=C)C)[C@@H]2C1 ZINC001188886248 810521095 /nfs/dbraw/zinc/52/10/95/810521095.db2.gz VIKQWCAOLSZHCL-IXDOHACOSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)/C=C(\C)C2CC2)C1 ZINC001189131815 810544314 /nfs/dbraw/zinc/54/43/14/810544314.db2.gz CYHFMKSOCIQTIH-DVINNUGASA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]([N@@H+](C)C/C=C\c2ccccc2)C1 ZINC001189280055 810554246 /nfs/dbraw/zinc/55/42/46/810554246.db2.gz PUYQBIFQBVDOBU-YFWYWMRJSA-N 1 1 298.430 3.199 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]([N@H+](C)[C@H]2CCc3ccccc32)C1 ZINC001189319289 810559317 /nfs/dbraw/zinc/55/93/17/810559317.db2.gz WDZOZYBFHNPBRJ-WMZOPIPTSA-N 1 1 298.430 3.173 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](CC)C(C)C)[C@@H]2C1 ZINC001189879431 810593885 /nfs/dbraw/zinc/59/38/85/810593885.db2.gz DLIVOSZPOILYBZ-YESZJQIVSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C2CC(C)(C)C2)C1 ZINC001189944733 810596949 /nfs/dbraw/zinc/59/69/49/810596949.db2.gz SJTSYCZGCQPYMA-HOCLYGCPSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)CCCC)C1 ZINC001189974089 810598937 /nfs/dbraw/zinc/59/89/37/810598937.db2.gz SXBYFIIMNDONFU-TZMCWYRMSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)CCCC)C1 ZINC001189974089 810598942 /nfs/dbraw/zinc/59/89/42/810598942.db2.gz SXBYFIIMNDONFU-TZMCWYRMSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(C)Cc1ccc(C(=O)NC2C[NH+](C(C)(C)C)C2)cc1 ZINC001190238815 810613678 /nfs/dbraw/zinc/61/36/78/810613678.db2.gz GIWRJPYETYQLRZ-UHFFFAOYSA-N 1 1 286.419 3.018 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@]2(C)CC=CCC2)C1 ZINC001190337023 810619890 /nfs/dbraw/zinc/61/98/90/810619890.db2.gz NDLHZJGICBYYQP-AEFFLSMTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@]2(C)CC=CCC2)C1 ZINC001190336642 810620723 /nfs/dbraw/zinc/62/07/23/810620723.db2.gz IXQVYIJCBPJNIH-FUHWJXTLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C(CC=C)CC=C)C1 ZINC001190355291 810623193 /nfs/dbraw/zinc/62/31/93/810623193.db2.gz YCBDPAXBMUGTPY-KRWDZBQOSA-N 1 1 290.451 3.254 20 30 CGEDMO CC#CC[N@H+](C)[C@@H]1CCN(C(=O)CCC[C@@H](C)CCC)C1 ZINC001190370921 810624204 /nfs/dbraw/zinc/62/42/04/810624204.db2.gz OSOAZUVJCGKNSP-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[C@H]([N@H+](C)CC[C@@H](C)F)C1 ZINC001190354826 810624328 /nfs/dbraw/zinc/62/43/28/810624328.db2.gz QRTQFNQNPVNHDV-ZBFHGGJFSA-N 1 1 296.430 3.036 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@@H]([N@@H+](C)CC2CCCC2)C1 ZINC001190429263 810628419 /nfs/dbraw/zinc/62/84/19/810628419.db2.gz ZGRVHAJNPNUTHT-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)Cc1cc[nH]c(=O)c1 ZINC001190700505 810642443 /nfs/dbraw/zinc/64/24/43/810642443.db2.gz YUVDLVKUEJTLHA-UHFFFAOYSA-N 1 1 268.360 3.018 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)C2CCCC2)C1 ZINC001190696454 810643118 /nfs/dbraw/zinc/64/31/18/810643118.db2.gz KARFNCGZFZEGDI-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CCOCC[N@@H+]1CCCC[C@H]1c1cccc(C)c1C ZINC001191213726 810689417 /nfs/dbraw/zinc/68/94/17/810689417.db2.gz JXACRBRHJSERFR-SFHVURJKSA-N 1 1 271.404 3.480 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)C2CCC2)C1 ZINC001191575769 810725674 /nfs/dbraw/zinc/72/56/74/810725674.db2.gz DFOXEKPYCFZFFN-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C2(C)CCCC2)C1 ZINC001191606929 810727392 /nfs/dbraw/zinc/72/73/92/810727392.db2.gz LAHQODHPDBUSSZ-HOTGVXAUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)CCC(C)(C)C)C1 ZINC001191721574 810733279 /nfs/dbraw/zinc/73/32/79/810733279.db2.gz YIRJPOBYJOPQGQ-CQSZACIVSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](F)CC)C1 ZINC001191755080 810736676 /nfs/dbraw/zinc/73/66/76/810736676.db2.gz UGDRQDGWTPUMLE-HUUCEWRRSA-N 1 1 284.419 3.014 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](F)CC)C1 ZINC001191763906 810737467 /nfs/dbraw/zinc/73/74/67/810737467.db2.gz QBJKUYYGEDVEJC-HUUCEWRRSA-N 1 1 286.435 3.238 20 30 CGEDMO C=C/C(C)=C/CC(=O)N1CC[C@H]([N@@H+](C)CCC(=C)C)C1 ZINC001191827347 810747019 /nfs/dbraw/zinc/74/70/19/810747019.db2.gz DFANJDHSQDERLM-NHKNYXOTSA-N 1 1 276.424 3.008 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)CC(=C)C)C1 ZINC001191867736 810752105 /nfs/dbraw/zinc/75/21/05/810752105.db2.gz HRJPFQWIJWCRSB-CVEARBPZSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)CC(=C)C)C1 ZINC001191913272 810756009 /nfs/dbraw/zinc/75/60/09/810756009.db2.gz VKYLUMVZVDMVJI-CVEARBPZSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C2(CCCC)CC2)C1 ZINC001192199471 810775992 /nfs/dbraw/zinc/77/59/92/810775992.db2.gz ZFUSBGSIODOPHU-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C2(CCC)CC2)C1 ZINC001192255982 810781839 /nfs/dbraw/zinc/78/18/39/810781839.db2.gz FADGPYROAHUOHF-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001192390854 810793474 /nfs/dbraw/zinc/79/34/74/810793474.db2.gz QALAHYVRLRRXJS-CABCVRRESA-N 1 1 276.330 3.262 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC23CC3)C1 ZINC001192533905 810805910 /nfs/dbraw/zinc/80/59/10/810805910.db2.gz QSJOJPMYGOPPFK-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO CCCCCCC[C@H](C)NC(=O)N1CC[N@@H+](CC)C[C@H]1C ZINC001192938638 810832606 /nfs/dbraw/zinc/83/26/06/810832606.db2.gz RHKNFFQLZIEEFO-JKSUJKDBSA-N 1 1 297.487 3.471 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[C@H](C)CC)C1 ZINC001193017618 810842060 /nfs/dbraw/zinc/84/20/60/810842060.db2.gz NVMYJIUOEKQLEU-TZMCWYRMSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)CC[C@H](C)CC)C1 ZINC001193017618 810842067 /nfs/dbraw/zinc/84/20/67/810842067.db2.gz NVMYJIUOEKQLEU-TZMCWYRMSA-N 1 1 286.847 3.098 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](F)CCCCCC)C1 ZINC001193479258 810894232 /nfs/dbraw/zinc/89/42/32/810894232.db2.gz UHLRVVKSKAMDNA-CABCVRRESA-N 1 1 284.419 3.014 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](F)CCCCCC)C1 ZINC001193478426 810894717 /nfs/dbraw/zinc/89/47/17/810894717.db2.gz MHANCEDVFGMIBZ-HZPDHXFCSA-N 1 1 298.446 3.404 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)CCCCCC)C1 ZINC001193847339 810968188 /nfs/dbraw/zinc/96/81/88/810968188.db2.gz XWLIRGFEGCDNTH-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)CCCC2CCCCC2)C1 ZINC001193865856 810970111 /nfs/dbraw/zinc/97/01/11/810970111.db2.gz SHYMXBXWLWHBLY-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO CCCCCCCOC(=O)NC1C[NH+](C(C)(C)C)C1 ZINC001194019701 811003239 /nfs/dbraw/zinc/00/32/39/811003239.db2.gz FALKBMRPHQCIHI-UHFFFAOYSA-N 1 1 270.417 3.166 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C(C)(CC)CC)C1 ZINC001194143791 811020863 /nfs/dbraw/zinc/02/08/63/811020863.db2.gz CYBSOIYMEWMQJX-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CCC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)CCCCC)C1 ZINC001194174544 811027618 /nfs/dbraw/zinc/02/76/18/811027618.db2.gz UGNSJUZWLKXUGV-INIZCTEOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@H]([N@@H+](C)CC(=C)C)C2)CCCC1 ZINC001194555490 811090518 /nfs/dbraw/zinc/09/05/18/811090518.db2.gz MIXKMKDSVNKHGA-INIZCTEOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC(=O)N1CCC[N@H+](CC2CCC(C)CC2)CC1 ZINC001195225136 811227986 /nfs/dbraw/zinc/22/79/86/811227986.db2.gz BTEBIAXJLCSSIU-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)C[C@@H](C)CCC)CC1 ZINC001195226938 811229332 /nfs/dbraw/zinc/22/93/32/811229332.db2.gz YVZFUFPLWPSJJF-INIZCTEOSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCCC(=O)N1CCC[N@H+]([C@@H](C)c2ccccc2)CC1 ZINC001195233330 811229819 /nfs/dbraw/zinc/22/98/19/811229819.db2.gz SLENMOSXWGHPEY-INIZCTEOSA-N 1 1 286.419 3.248 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)CCCC(C)(C)C)CC1 ZINC001195274649 811235338 /nfs/dbraw/zinc/23/53/38/811235338.db2.gz JULRWUZRHRZTCH-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO CCCCCCC[N@H+]1CCCN(C(=O)c2cc[nH]c2)CC1 ZINC001195915289 811302505 /nfs/dbraw/zinc/30/25/05/811302505.db2.gz OMAOSKHEIGRJIU-UHFFFAOYSA-N 1 1 291.439 3.133 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)CCC[C@H](C)CCC)CC1 ZINC001195990689 811308914 /nfs/dbraw/zinc/30/89/14/811308914.db2.gz ZDNAZKSNHYGTJY-MRXNPFEDSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)OCc1ccccc1 ZINC001196056572 811313420 /nfs/dbraw/zinc/31/34/20/811313420.db2.gz LSBQHIBYITVMHA-IRXDYDNUSA-N 1 1 287.403 3.454 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCN(c2ccc(C)cc2)C1=O ZINC001196323035 811334355 /nfs/dbraw/zinc/33/43/55/811334355.db2.gz RNYWKGXLKMCVIB-KSZLIROESA-N 1 1 296.414 3.283 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)C[C@@H](CC)CCCC)CC1 ZINC001196574465 811354401 /nfs/dbraw/zinc/35/44/01/811354401.db2.gz PMPIUCQLOPULHP-INIZCTEOSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCCC[N@H+]1CCCN(C(=O)C[C@H]2CC=CCC2)CC1 ZINC001196763403 811362767 /nfs/dbraw/zinc/36/27/67/811362767.db2.gz YYSQIMPOVWUGHE-KRWDZBQOSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[N@@H+](CC=C(C)C)CC1 ZINC001196889989 811379427 /nfs/dbraw/zinc/37/94/27/811379427.db2.gz MXAGJOBRBCATSU-MRXNPFEDSA-N 1 1 278.440 3.089 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC[N@H+](CCCCC)CC1 ZINC001196895169 811379599 /nfs/dbraw/zinc/37/95/99/811379599.db2.gz HPNXABGWPJPDBW-INIZCTEOSA-N 1 1 280.456 3.313 20 30 CGEDMO N#Cc1ccnc(C[N@@H+]2C[C@H]3[C@H](C[C@@H]3c3ccccc3)C2)c1 ZINC001196899267 811380446 /nfs/dbraw/zinc/38/04/46/811380446.db2.gz QQNXGNFJIVJMIE-QRQLOZEOSA-N 1 1 289.382 3.189 20 30 CGEDMO C=CCCCC(=O)N1CCC[N@H+](CCCCCC)CC1 ZINC001197000601 811388535 /nfs/dbraw/zinc/38/85/35/811388535.db2.gz VRBYUNKTAYCNJW-UHFFFAOYSA-N 1 1 280.456 3.457 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[N@@H+](CCCCCF)CC1 ZINC001197036176 811391198 /nfs/dbraw/zinc/39/11/98/811391198.db2.gz BHYQHRRJJOCFPM-QGZVFWFLSA-N 1 1 298.446 3.263 20 30 CGEDMO C=CCCC[N@H+]1CCCN(C(=O)C2(CC=C)CCC2)CC1 ZINC001197076374 811396344 /nfs/dbraw/zinc/39/63/44/811396344.db2.gz HEQNAWNTUAZMMB-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C2(C)CC(=C)C2)CC1 ZINC001197091789 811397887 /nfs/dbraw/zinc/39/78/87/811397887.db2.gz HFLRXUSAPPUGLD-MRXNPFEDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C2(CCC)CC2)CC1 ZINC001197111059 811400128 /nfs/dbraw/zinc/40/01/28/811400128.db2.gz UJWBBNDLZLZXRD-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCN(C)CCc2cccc(C#N)c2)C1 ZINC001197114876 811400249 /nfs/dbraw/zinc/40/02/49/811400249.db2.gz IVSVPSGYGUDLHP-CALCHBBNSA-N 1 1 299.462 3.010 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@H]2CC23CCC3)CC1 ZINC001197270096 811410726 /nfs/dbraw/zinc/41/07/26/811410726.db2.gz ZMXUGECQMQYFCR-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CC23CCC3)CC1 ZINC001197270095 811410741 /nfs/dbraw/zinc/41/07/41/811410741.db2.gz ZMXUGECQMQYFCR-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[N@@H+](CCCCCF)CC1 ZINC001197292415 811412133 /nfs/dbraw/zinc/41/21/33/811412133.db2.gz ZHAZNXLMPKHONU-UHFFFAOYSA-N 1 1 298.446 3.263 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H](C)[C@@H](C)CC)CC1 ZINC001197595858 811431611 /nfs/dbraw/zinc/43/16/11/811431611.db2.gz DRCXJQLIPJGFPA-HOTGVXAUSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@H]2C[C@]2(C)C(C)C)CC1 ZINC001197628575 811439086 /nfs/dbraw/zinc/43/90/86/811439086.db2.gz CPACCWXJBLNYQX-SJLPKXTDSA-N 1 1 292.467 3.169 20 30 CGEDMO C#CC[N@H+](CCCC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001197768138 811452295 /nfs/dbraw/zinc/45/22/95/811452295.db2.gz FFHMRIAWIRYAAA-UHFFFAOYSA-N 1 1 294.439 3.121 20 30 CGEDMO C=CCCCCN1CC[N@@H+](C2CCCC2)[C@@H](C)C1 ZINC001197798789 811453944 /nfs/dbraw/zinc/45/39/44/811453944.db2.gz QHAODKGIMRQPSA-HNNXBMFYSA-N 1 1 250.430 3.291 20 30 CGEDMO C=CCCCC[N@@H+]1CCN(C2CCCC2)[C@@H](C)C1 ZINC001197798789 811453947 /nfs/dbraw/zinc/45/39/47/811453947.db2.gz QHAODKGIMRQPSA-HNNXBMFYSA-N 1 1 250.430 3.291 20 30 CGEDMO C=CCCCC[N@H+]1CCN(C2CCCC2)[C@@H](C)C1 ZINC001197798789 811453956 /nfs/dbraw/zinc/45/39/56/811453956.db2.gz QHAODKGIMRQPSA-HNNXBMFYSA-N 1 1 250.430 3.291 20 30 CGEDMO CCCCCCCCCNC(=S)N1CCC[N@@H+](C)CC1 ZINC001200369177 811682617 /nfs/dbraw/zinc/68/26/17/811682617.db2.gz ORRIWHUXFXFQKL-UHFFFAOYSA-N 1 1 299.528 3.249 20 30 CGEDMO C=CCOCc1ncn2c1C[N@@H+](C[C@H](C)CCC)CCC2 ZINC001201542758 811893109 /nfs/dbraw/zinc/89/31/09/811893109.db2.gz LVRYNCHDONUNPW-OAHLLOKOSA-N 1 1 291.439 3.228 20 30 CGEDMO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](CCC(C)C)C2)C1 ZINC001201613489 811919914 /nfs/dbraw/zinc/91/99/14/811919914.db2.gz KMRURLMMMAIZGK-QGZVFWFLSA-N 1 1 294.439 3.143 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](CCC(C)C)[C@@H]2CC ZINC001201618440 811921499 /nfs/dbraw/zinc/92/14/99/811921499.db2.gz XQXFYTSANACJNV-AEFFLSMTSA-N 1 1 292.467 3.454 20 30 CGEDMO CCCCCCCCCCC[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC001201631510 811926389 /nfs/dbraw/zinc/92/63/89/811926389.db2.gz USZTXLKYXWUUBI-SJORKVTESA-N 1 1 285.472 3.192 20 30 CGEDMO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](CCCCC)C2 ZINC001201734498 811951680 /nfs/dbraw/zinc/95/16/80/811951680.db2.gz CPEDZNHERPQWDX-HZPDHXFCSA-N 1 1 267.413 3.003 20 30 CGEDMO CCCCCC[NH+]1CC(Oc2ccccc2C#N)C1 ZINC001201761929 811962837 /nfs/dbraw/zinc/96/28/37/811962837.db2.gz VTBLXSPMDUBLLC-UHFFFAOYSA-N 1 1 258.365 3.202 20 30 CGEDMO CCCCCCC[N@H+]1CCCC[C@]12CC(=O)N(C)C2 ZINC001201762576 811963222 /nfs/dbraw/zinc/96/32/22/811963222.db2.gz PXUCAFQHIBFGGR-MRXNPFEDSA-N 1 1 266.429 3.044 20 30 CGEDMO CCCCCCCC[N@@H+]1Cc2cn(C)nc2[C@H](COC)C1 ZINC001201813024 811966134 /nfs/dbraw/zinc/96/61/34/811966134.db2.gz AKDZVJBNNLTCMQ-INIZCTEOSA-N 1 1 293.455 3.326 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H](C(=O)OC)CC1 ZINC001201804823 811966166 /nfs/dbraw/zinc/96/61/66/811966166.db2.gz SXOQVGWYIDISEO-CQSZACIVSA-N 1 1 255.402 3.232 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H](C(=O)OC)CC1 ZINC001201804821 811966201 /nfs/dbraw/zinc/96/62/01/811966201.db2.gz SXOQVGWYIDISEO-AWEZNQCLSA-N 1 1 255.402 3.232 20 30 CGEDMO CCCCCCCC[N@H+]1CCC[C@]2(CCCC(=O)N2)C1 ZINC001201814199 811968195 /nfs/dbraw/zinc/96/81/95/811968195.db2.gz MUDOAAKOOLZPGF-QGZVFWFLSA-N 1 1 280.456 3.482 20 30 CGEDMO CCCCCCCCCC[N@H+]1CC[C@@](C)(CO)[C@H](O)C1 ZINC001201852846 811972362 /nfs/dbraw/zinc/97/23/62/811972362.db2.gz OLHSFHOTPPMHCY-SJORKVTESA-N 1 1 285.472 3.192 20 30 CGEDMO CCCCCCCCCC[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC001201875075 811973981 /nfs/dbraw/zinc/97/39/81/811973981.db2.gz OUCYCASFQLEWRO-MRXNPFEDSA-N 1 1 280.456 3.434 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](CCC(C)(C)C)CC2 ZINC001202072994 812010317 /nfs/dbraw/zinc/01/03/17/812010317.db2.gz HYWGIRQVCRJHDG-SFHVURJKSA-N 1 1 292.467 3.456 20 30 CGEDMO Fc1cccc(Cl)c1C[NH+]1CCC(S)CC1 ZINC001203406989 812345532 /nfs/dbraw/zinc/34/55/32/812345532.db2.gz XXKOSLIWNXTSNV-UHFFFAOYSA-N 1 1 259.777 3.373 20 30 CGEDMO COc1ccc2c(Nc3onc(C)c3C#N)cc[nH+]c2c1 ZINC001203519902 812380946 /nfs/dbraw/zinc/38/09/46/812380946.db2.gz MYCYOYLKKWICLN-UHFFFAOYSA-N 1 1 280.287 3.155 20 30 CGEDMO N#Cc1c(F)cc(Nc2cc[nH+]cc2C(F)(F)F)cc1F ZINC001203668475 812423725 /nfs/dbraw/zinc/42/37/25/812423725.db2.gz GFVRTETUDMSCSM-UHFFFAOYSA-N 1 1 299.202 3.416 20 30 CGEDMO N#Cc1cccc(C[N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c1 ZINC001203757806 812456508 /nfs/dbraw/zinc/45/65/08/812456508.db2.gz UKLVGOGMCVWEGZ-KGLIPLIRSA-N 1 1 262.303 3.035 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](C(=O)c3ccccc3)C2)c1 ZINC001203763830 812457630 /nfs/dbraw/zinc/45/76/30/812457630.db2.gz NTUMEMGIRKHWRC-SFHVURJKSA-N 1 1 290.366 3.263 20 30 CGEDMO C[N@H+]1CCc2ccc(Nc3ccc(C#N)c(F)c3)cc2C1 ZINC001204075017 812542419 /nfs/dbraw/zinc/54/24/19/812542419.db2.gz ZKFLMGZXBVCLLZ-UHFFFAOYSA-N 1 1 281.334 3.429 20 30 CGEDMO N#CC1(c2ccccc2F)CC[NH+](Cc2ccoc2)CC1 ZINC001204247704 812586467 /nfs/dbraw/zinc/58/64/67/812586467.db2.gz PUNLUJBVOPJTDJ-UHFFFAOYSA-N 1 1 284.334 3.476 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCCC[C@H]2C(C)=O)cc1 ZINC001204303182 812605409 /nfs/dbraw/zinc/60/54/09/812605409.db2.gz BJZZBTSWINPWDH-KRWDZBQOSA-N 1 1 273.376 3.195 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCCC[C@H]2C(C)=O)cc1 ZINC001204303182 812605412 /nfs/dbraw/zinc/60/54/12/812605412.db2.gz BJZZBTSWINPWDH-KRWDZBQOSA-N 1 1 273.376 3.195 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(OCCC)cc2)C1 ZINC001204306904 812607857 /nfs/dbraw/zinc/60/78/57/812607857.db2.gz CAAIBYZSESIQHK-HNNXBMFYSA-N 1 1 257.377 3.321 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CC[C@@H]1COCc1ccccc1 ZINC001204369949 812622487 /nfs/dbraw/zinc/62/24/87/812622487.db2.gz JTVSSTRMFUBCQE-LJQANCHMSA-N 1 1 292.382 3.349 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CC[C@@H]1COCc1ccccc1 ZINC001204369949 812622491 /nfs/dbraw/zinc/62/24/91/812622491.db2.gz JTVSSTRMFUBCQE-LJQANCHMSA-N 1 1 292.382 3.349 20 30 CGEDMO C=CCC[N@H+](Cc1[nH]cnc1C)Cc1ccccc1 ZINC001204588613 812682826 /nfs/dbraw/zinc/68/28/26/812682826.db2.gz MHTQDECLLXGPHJ-UHFFFAOYSA-N 1 1 255.365 3.296 20 30 CGEDMO C=CC[N@H+](C[C@@H](OC)C1CC1)CC1CCCCC1 ZINC001204922490 812776746 /nfs/dbraw/zinc/77/67/46/812776746.db2.gz AEYXSSTXGSTFLR-MRXNPFEDSA-N 1 1 251.414 3.480 20 30 CGEDMO COC1(C[N@H+]2CCC[C@](C)(C#N)C2)CCCCCC1 ZINC001204945161 812792260 /nfs/dbraw/zinc/79/22/60/812792260.db2.gz BJQCUXYVYXGPRI-OAHLLOKOSA-N 1 1 264.413 3.351 20 30 CGEDMO C=CCO[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001205037970 812836686 /nfs/dbraw/zinc/83/66/86/812836686.db2.gz WOTKOXDSFQUPKO-FVQHAEBGSA-N 1 1 257.377 3.100 20 30 CGEDMO N#Cc1cc(C[N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)ccc1F ZINC001205459242 812986533 /nfs/dbraw/zinc/98/65/33/812986533.db2.gz INNGFKPNYRFPOC-YPMHNXCESA-N 1 1 280.293 3.174 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CC[C@@H](OC2CCCC2)C1 ZINC001205568110 813005818 /nfs/dbraw/zinc/00/58/18/813005818.db2.gz WDMCNEZHVWIFRO-QGZVFWFLSA-N 1 1 270.376 3.092 20 30 CGEDMO C=CC[C@H]([NH2+]C1CCC(CCC)CC1)C(=O)OCC ZINC001205660905 813046048 /nfs/dbraw/zinc/04/60/48/813046048.db2.gz PPWGXHBXYDRMDJ-NRXISQOPSA-N 1 1 267.413 3.443 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccco2)C1 ZINC001205742902 813064829 /nfs/dbraw/zinc/06/48/29/813064829.db2.gz NQNBJZRAIXSXAI-HUUCEWRRSA-N 1 1 292.423 3.300 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccco2)C1 ZINC001205740466 813066051 /nfs/dbraw/zinc/06/60/51/813066051.db2.gz NGWZMLLPJTWYOB-HUUCEWRRSA-N 1 1 290.407 3.076 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H](C)CC[C@@H]2CN)CC1 ZINC001205803351 813083557 /nfs/dbraw/zinc/08/35/57/813083557.db2.gz GKACAWKWWQHQQQ-USXIJHARSA-N 1 1 262.441 3.348 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@@H](C)CC[C@@H]2CN)CC1 ZINC001205803351 813083565 /nfs/dbraw/zinc/08/35/65/813083565.db2.gz GKACAWKWWQHQQQ-USXIJHARSA-N 1 1 262.441 3.348 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CC)C1 ZINC001206071334 813190366 /nfs/dbraw/zinc/19/03/66/813190366.db2.gz IKDKKKQBEPZGDA-ARFHVFGLSA-N 1 1 282.472 3.439 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CC[C@@H](N)[C@H](F)CC1 ZINC001206156251 813216982 /nfs/dbraw/zinc/21/69/82/813216982.db2.gz PJUSLFTVJOETJR-HUUCEWRRSA-N 1 1 256.409 3.274 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)CCCC)C1 ZINC001206162380 813219952 /nfs/dbraw/zinc/21/99/52/813219952.db2.gz XGIYQWWCZVBSQC-OWCLPIDISA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)/C=C(/C)C2CC2)C1 ZINC001206328154 813291484 /nfs/dbraw/zinc/29/14/84/813291484.db2.gz SBQCLMGMYPAJFJ-VNIPIUOQSA-N 1 1 290.451 3.134 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(C)c(C3OCCO3)cc2C)C1 ZINC001206463653 813327023 /nfs/dbraw/zinc/32/70/23/813327023.db2.gz LHMPUQAYVBSBSG-INIZCTEOSA-N 1 1 299.414 3.194 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[N@@H+](CC/C=C\CCC)C[C@H]1C ZINC001206537211 813342787 /nfs/dbraw/zinc/34/27/87/813342787.db2.gz LWUOQDDXHQAATA-NKIGNDQYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC(C)(C)C)C1 ZINC001206607323 813372268 /nfs/dbraw/zinc/37/22/68/813372268.db2.gz OBNUOOKISKHMFA-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO COc1cccc(Nc2c[nH+]c(N(C)C)cc2C)c1C#N ZINC001206748417 813418824 /nfs/dbraw/zinc/41/88/24/813418824.db2.gz HFFNXANIWYCWHK-UHFFFAOYSA-N 1 1 282.347 3.080 20 30 CGEDMO CC(=O)c1ccc(Nc2c[nH+]c(N(C)C)cc2C)c(C#N)c1 ZINC001206749120 813419735 /nfs/dbraw/zinc/41/97/35/813419735.db2.gz WGTDTODYUQIASV-UHFFFAOYSA-N 1 1 294.358 3.274 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1C[N@@H+](CCCCCCC)C[C@H]1C ZINC001206911219 813458442 /nfs/dbraw/zinc/45/84/42/813458442.db2.gz HLGGOVPXLWBELS-IAGOWNOFSA-N 1 1 292.467 3.197 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C)CC2)C1 ZINC001207029069 813469254 /nfs/dbraw/zinc/46/92/54/813469254.db2.gz FYJXYDFLIOKZFE-HUUCEWRRSA-N 1 1 280.456 3.193 20 30 CGEDMO CCn1ccnc1C[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC001207145411 813496716 /nfs/dbraw/zinc/49/67/16/813496716.db2.gz CVEMQANYWTZSOC-UHFFFAOYSA-N 1 1 294.402 3.154 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](CC/C=C\CC)C[C@H]1C ZINC001207165374 813501561 /nfs/dbraw/zinc/50/15/61/813501561.db2.gz LBXALMQUOCZNIZ-NKIGNDQYSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1ccnc(C)n1 ZINC001207165721 813502966 /nfs/dbraw/zinc/50/29/66/813502966.db2.gz CQLJEFYWQFNSCT-UHFFFAOYSA-N 1 1 267.376 3.363 20 30 CGEDMO N#C[C@H]1CC[N@H+](C[C@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001207192159 813511920 /nfs/dbraw/zinc/51/19/20/813511920.db2.gz PDWFQJUADPNVLD-KYOSRNDESA-N 1 1 260.768 3.289 20 30 CGEDMO CC[N@@H+](CCC#N)CC[C@H](C)CCCC(C)(C)O ZINC001207671294 813631593 /nfs/dbraw/zinc/63/15/93/813631593.db2.gz VMMRFGAMUQTHFW-CQSZACIVSA-N 1 1 254.418 3.189 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C(CC)CC)C1 ZINC001207786858 813651162 /nfs/dbraw/zinc/65/11/62/813651162.db2.gz JUODPQIAOKOWCN-IJEWVQPXSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCCCCCCCCC[N@H+]1CC[C@@H](O)[C@@](C)(CO)C1 ZINC001207899219 813667175 /nfs/dbraw/zinc/66/71/75/813667175.db2.gz QBUGTFNIZASGTD-QZTJIDSGSA-N 1 1 297.483 3.358 20 30 CGEDMO C=CCCCCCCCCC[N@@H+]1CC[C@@](C)(CO)[C@@H](O)C1 ZINC001207899369 813667297 /nfs/dbraw/zinc/66/72/97/813667297.db2.gz XCKYZFRSVLPPLG-ROUUACIJSA-N 1 1 297.483 3.358 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CC[C@@H](C(=O)OC)C1 ZINC001208117992 813696616 /nfs/dbraw/zinc/69/66/16/813696616.db2.gz AOXLWCONNFXVSB-BOLDSZDNSA-N 1 1 267.413 3.398 20 30 CGEDMO CCCCCCC/C=C/CN1CC[N@H+]2CC[C@H]1C2 ZINC001208118874 813697447 /nfs/dbraw/zinc/69/74/47/813697447.db2.gz QRXIBBQMWJITOE-FDMDGMSGSA-N 1 1 250.430 3.293 20 30 CGEDMO CCCCCCC/C=C/C[N@@H+]1CCN2CC[C@H]1C2 ZINC001208118874 813697450 /nfs/dbraw/zinc/69/74/50/813697450.db2.gz QRXIBBQMWJITOE-FDMDGMSGSA-N 1 1 250.430 3.293 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CC[C@@]2(CCNC2=O)C1 ZINC001208120009 813697463 /nfs/dbraw/zinc/69/74/63/813697463.db2.gz KOBBAFUHCYYMQO-IJDCCNJMSA-N 1 1 278.440 3.115 20 30 CGEDMO CCCCCCC/C=C/C[NH+]1CC2(CN(C)C2)C1 ZINC001208124382 813697592 /nfs/dbraw/zinc/69/75/92/813697592.db2.gz OFUTYHAIBDDAAQ-MDZDMXLPSA-N 1 1 250.430 3.151 20 30 CGEDMO CC1=C[C@H](C)[C@H](C[N@H+]2CCC3SC(=O)C=C3C2)CC1 ZINC001208163489 813718992 /nfs/dbraw/zinc/71/89/92/813718992.db2.gz WTPFLLRTTRRUGO-YDHLFZDLSA-N 1 1 277.433 3.253 20 30 CGEDMO C=C(C)[C@@H]1CC=C(CN2C[C@H]3C[NH+](CC)C[C@@H]3C2)CC1 ZINC001208179054 813730432 /nfs/dbraw/zinc/73/04/32/813730432.db2.gz KNFKDEDWJVVMNY-KZNAEPCWSA-N 1 1 274.452 3.173 20 30 CGEDMO C=C(C)[C@@H]1CC=C(CN2CCC[C@@H]3C[N@H+](C)C[C@H]32)CC1 ZINC001208178962 813730677 /nfs/dbraw/zinc/73/06/77/813730677.db2.gz YXQDJQFXCWQPRT-KZNAEPCWSA-N 1 1 274.452 3.315 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](CC2(c3ccccc3)CCOCC2)CC1 ZINC001208235292 813751079 /nfs/dbraw/zinc/75/10/79/813751079.db2.gz AXFBSHGMEPTRIV-KRWDZBQOSA-N 1 1 298.430 3.360 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC/C=C\CC)C[C@H]1C ZINC001208295077 813752569 /nfs/dbraw/zinc/75/25/69/813752569.db2.gz XRBPDYFRWRXGGV-NKIGNDQYSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(CCC)CCC2)C1 ZINC001208376864 813758226 /nfs/dbraw/zinc/75/82/26/813758226.db2.gz WOVPJQGSLLOWJX-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C ZINC001208388957 813758830 /nfs/dbraw/zinc/75/88/30/813758830.db2.gz UNEAOIFWPDYSMU-BZUAXINKSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C ZINC001208393552 813759841 /nfs/dbraw/zinc/75/98/41/813759841.db2.gz SCIXZDHGKSCRCW-BZUAXINKSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(CCCC)CC2)C1 ZINC001208505875 813763539 /nfs/dbraw/zinc/76/35/39/813763539.db2.gz BGNINWQCAQJQNC-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO N#Cc1ccc(CCC[N@H+]2CCc3cc(O)ccc3C2)cc1 ZINC001208856333 813870338 /nfs/dbraw/zinc/87/03/38/813870338.db2.gz LJFCGMKHKVQLPV-UHFFFAOYSA-N 1 1 292.382 3.255 20 30 CGEDMO CC(C)[N@@H+](CCCc1ccc(C#N)cc1)C1CCOCC1 ZINC001208863483 813871526 /nfs/dbraw/zinc/87/15/26/813871526.db2.gz FBRQAVBKSMOWPG-UHFFFAOYSA-N 1 1 286.419 3.380 20 30 CGEDMO N#Cc1ccc(O[C@H]2CCC[N@@H+](C[C@@H]3CCC=CO3)C2)cc1 ZINC001208885160 813881382 /nfs/dbraw/zinc/88/13/82/813881382.db2.gz KMSYGNSPANQYMR-ROUUACIJSA-N 1 1 298.386 3.094 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CC2CCCC2)C1 ZINC001209124954 813941637 /nfs/dbraw/zinc/94/16/37/813941637.db2.gz HIBZNUYWYZPIKG-ZMSDIMECSA-N 1 1 292.467 3.215 20 30 CGEDMO CCCC[N@H+](CCC#N)CCCC(C)(C)OC(C)=O ZINC001209154547 813949512 /nfs/dbraw/zinc/94/95/12/813949512.db2.gz NMIKRGOJBZHWSG-UHFFFAOYSA-N 1 1 268.401 3.124 20 30 CGEDMO C=CCCC[N@@H+]1CCc2ccc(CC(=O)OCC)cc2C1 ZINC001209157085 813949941 /nfs/dbraw/zinc/94/99/41/813949941.db2.gz NXAOJBKUKYXAPK-UHFFFAOYSA-N 1 1 287.403 3.117 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC001209159006 813951288 /nfs/dbraw/zinc/95/12/88/813951288.db2.gz YYTBXSJIRBZJSI-KGLIPLIRSA-N 1 1 282.428 3.282 20 30 CGEDMO C=CCCCN1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001209158634 813951648 /nfs/dbraw/zinc/95/16/48/813951648.db2.gz TWCDAVAAPPGDSL-UHFFFAOYSA-N 1 1 262.441 3.293 20 30 CGEDMO C=CCCCN1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001209158634 813951653 /nfs/dbraw/zinc/95/16/53/813951653.db2.gz TWCDAVAAPPGDSL-UHFFFAOYSA-N 1 1 262.441 3.293 20 30 CGEDMO C=CCCC[NH+]1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001209160392 813952168 /nfs/dbraw/zinc/95/21/68/813952168.db2.gz WJDWZGOUUDOZFK-QZTJIDSGSA-N 1 1 270.420 3.016 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001209163980 813953119 /nfs/dbraw/zinc/95/31/19/813953119.db2.gz PXOOWSUZWFNMDA-ZWKOTPCHSA-N 1 1 270.420 3.159 20 30 CGEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)CCCCC)C1 ZINC001209178802 813956595 /nfs/dbraw/zinc/95/65/95/813956595.db2.gz SRRIJHDJXTXFFU-BRWVUGGUSA-N 1 1 292.467 3.053 20 30 CGEDMO N#CCC[N@@H+](CCCc1ccncc1)C1CCCC1 ZINC001209188314 813959100 /nfs/dbraw/zinc/95/91/00/813959100.db2.gz IWEOPQOVAKUXSW-UHFFFAOYSA-N 1 1 257.381 3.172 20 30 CGEDMO C=CCCCC[N@@H+]1CCCN(c2ccc(F)cn2)CC1 ZINC001209201829 813964624 /nfs/dbraw/zinc/96/46/24/813964624.db2.gz UNYOIABUBZIDIZ-UHFFFAOYSA-N 1 1 277.387 3.089 20 30 CGEDMO C=CCCCC[N@H+]1CCCn2cnc(Cn3cccc3)c2C1 ZINC001209203629 813966041 /nfs/dbraw/zinc/96/60/41/813966041.db2.gz QXNGYSKSBHKXEM-UHFFFAOYSA-N 1 1 298.434 3.295 20 30 CGEDMO C=CCCCC[N@@H+]1Cc2nnc(C(F)(F)F)n2[C@H](C)C1 ZINC001209207344 813968258 /nfs/dbraw/zinc/96/82/58/813968258.db2.gz UNKJDNUQRSHLOJ-SNVBAGLBSA-N 1 1 288.317 3.030 20 30 CGEDMO C=CCCCC[N@H+]1Cc2nnc(C(F)(F)F)n2[C@H](C)C1 ZINC001209207344 813968262 /nfs/dbraw/zinc/96/82/62/813968262.db2.gz UNKJDNUQRSHLOJ-SNVBAGLBSA-N 1 1 288.317 3.030 20 30 CGEDMO C=CCCCC[N@@H+]1CCc2c(cccc2C(=O)OC)C1 ZINC001209208178 813968753 /nfs/dbraw/zinc/96/87/53/813968753.db2.gz LNWIGWASAYTQEL-UHFFFAOYSA-N 1 1 273.376 3.188 20 30 CGEDMO C=CCCCC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001209207170 813968913 /nfs/dbraw/zinc/96/89/13/813968913.db2.gz NGGJDNGJISAOQG-KGLIPLIRSA-N 1 1 282.428 3.188 20 30 CGEDMO C#CCCC[NH+]1CCN([C@H]2CCCc3ccccc32)CC1 ZINC001209270015 813989371 /nfs/dbraw/zinc/98/93/71/813989371.db2.gz UAFIYNZLGVPFKB-IBGZPJMESA-N 1 1 282.431 3.095 20 30 CGEDMO C=CCCCCC[N@H+]1Cc2c(cnn2C)[C@H](COCC)C1 ZINC001209422732 814023831 /nfs/dbraw/zinc/02/38/31/814023831.db2.gz GRLYLUKCEREEOA-HNNXBMFYSA-N 1 1 291.439 3.102 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@]2(CCN(CC)C2=O)C1 ZINC001209424806 814025778 /nfs/dbraw/zinc/02/57/78/814025778.db2.gz UOHLNZVNJQASEE-QGZVFWFLSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCCCCC[N@@H+]1CCO[C@H](c2ccccn2)C1 ZINC001209428541 814029637 /nfs/dbraw/zinc/02/96/37/814029637.db2.gz KPZCIYWRWQECDN-INIZCTEOSA-N 1 1 260.381 3.201 20 30 CGEDMO C=CCCCCC[N@H+]1CCO[C@H](c2ccccn2)C1 ZINC001209428541 814029645 /nfs/dbraw/zinc/02/96/45/814029645.db2.gz KPZCIYWRWQECDN-INIZCTEOSA-N 1 1 260.381 3.201 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@](C)(C(=O)OC)C1 ZINC001209428558 814030561 /nfs/dbraw/zinc/03/05/61/814030561.db2.gz LKLJXLXTRHMGCB-OAHLLOKOSA-N 1 1 253.386 3.008 20 30 CGEDMO C=CCCCCCC[N@H+]1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001209430985 814032128 /nfs/dbraw/zinc/03/21/28/814032128.db2.gz GKDAXMYLJPENSV-OLZOCXBDSA-N 1 1 297.336 3.460 20 30 CGEDMO C=CCCCCCC[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001209430985 814032133 /nfs/dbraw/zinc/03/21/33/814032133.db2.gz GKDAXMYLJPENSV-OLZOCXBDSA-N 1 1 297.336 3.460 20 30 CGEDMO C=CCCCCC[N@H+](C(C)C)[C@@H]1CCN(C(C)=O)C1 ZINC001209433142 814033245 /nfs/dbraw/zinc/03/32/45/814033245.db2.gz QSDOBLWRRHZOMF-MRXNPFEDSA-N 1 1 266.429 3.064 20 30 CGEDMO C=CCCCCCC[N@@H+]1CCN(C)c2ncccc2C1 ZINC001209437174 814036430 /nfs/dbraw/zinc/03/64/30/814036430.db2.gz HKMLHJMSPZRSKD-UHFFFAOYSA-N 1 1 273.424 3.470 20 30 CGEDMO C=CCCCCCC[N@@H+]1CC[C@@H](N(C)C2CC2)C1 ZINC001209440178 814038377 /nfs/dbraw/zinc/03/83/77/814038377.db2.gz DHISSZUNYYETMO-MRXNPFEDSA-N 1 1 250.430 3.291 20 30 CGEDMO C=CCCCCCCN1CC[C@@H]([N@H+](C)C2CC2)C1 ZINC001209440178 814038386 /nfs/dbraw/zinc/03/83/86/814038386.db2.gz DHISSZUNYYETMO-MRXNPFEDSA-N 1 1 250.430 3.291 20 30 CGEDMO C=CCCCCCCN1CC[C@@H]([N@@H+](C)C2CC2)C1 ZINC001209440178 814038396 /nfs/dbraw/zinc/03/83/96/814038396.db2.gz DHISSZUNYYETMO-MRXNPFEDSA-N 1 1 250.430 3.291 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CC[C@H](C(=O)OC)C1 ZINC001209438250 814038751 /nfs/dbraw/zinc/03/87/51/814038751.db2.gz IBXANNPAGRBUIN-AWEZNQCLSA-N 1 1 253.386 3.008 20 30 CGEDMO C=CCCCCCCC[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC001209438969 814039582 /nfs/dbraw/zinc/03/95/82/814039582.db2.gz ZPBDNDSASSZXFK-CQSZACIVSA-N 1 1 275.383 3.463 20 30 CGEDMO C=CCCCCCCC[N@H+](C)[C@@H]1CCCN(C(C)=O)C1 ZINC001209440758 814041440 /nfs/dbraw/zinc/04/14/40/814041440.db2.gz BWTMIEGDFUSTKO-QGZVFWFLSA-N 1 1 280.456 3.456 20 30 CGEDMO C=CCCCCCCCC[NH+]1CC(OC(C)=O)C1 ZINC001209444680 814044963 /nfs/dbraw/zinc/04/49/63/814044963.db2.gz XWKXUGXBCHUKEV-UHFFFAOYSA-N 1 1 253.386 3.150 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cc(F)c(O)c(OC)c1 ZINC001209533099 814074948 /nfs/dbraw/zinc/07/49/48/814074948.db2.gz XHZYEKCZVTXESR-UHFFFAOYSA-N 1 1 267.344 3.328 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1c2ccccc2nn1C ZINC001209540873 814079099 /nfs/dbraw/zinc/07/90/99/814079099.db2.gz QYRUDJGPTLOXKC-UHFFFAOYSA-N 1 1 257.381 3.361 20 30 CGEDMO N#CC1(c2ccccc2)CC[NH+](Cc2cncs2)CC1 ZINC001209545980 814080183 /nfs/dbraw/zinc/08/01/83/814080183.db2.gz DXPOUPDHLKTIGW-UHFFFAOYSA-N 1 1 283.400 3.200 20 30 CGEDMO C=CCC[N@H+](Cc1c[nH]nc1C)Cc1ccccc1 ZINC001209555672 814083360 /nfs/dbraw/zinc/08/33/60/814083360.db2.gz GFTLOKDNKOWJED-UHFFFAOYSA-N 1 1 255.365 3.296 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]nc1-c1ccccc1 ZINC001209763298 814133846 /nfs/dbraw/zinc/13/38/46/814133846.db2.gz YMGIMRCJPSWZJC-FFGGFLGDSA-N 1 1 292.386 3.343 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)CC(C)C)C1 ZINC001210213598 814345395 /nfs/dbraw/zinc/34/53/95/814345395.db2.gz KZAGASZBJDZVSH-ARFHVFGLSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(CC=C)CCCCC2)C1 ZINC001211235240 814856367 /nfs/dbraw/zinc/85/63/67/814856367.db2.gz JVUIRXZIQVMDKI-HZPDHXFCSA-N 1 1 290.451 3.136 20 30 CGEDMO CCCCCCC[C@H](C)Oc1ncnc2c1C[NH2+]C2 ZINC001218223600 816131836 /nfs/dbraw/zinc/13/18/36/816131836.db2.gz JVUGCQUWUZRALX-LBPRGKRZSA-N 1 1 263.385 3.208 20 30 CGEDMO C#C[C@](C)([NH3+])C(=O)Nc1ccccc1Oc1ccccc1C ZINC001218850624 816255518 /nfs/dbraw/zinc/25/55/18/816255518.db2.gz CAHLCFAKBMGHAS-SFHVURJKSA-N 1 1 294.354 3.076 20 30 CGEDMO CCCCCCC[C@H](C)CNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC001221270657 816307667 /nfs/dbraw/zinc/30/76/67/816307667.db2.gz GWNXGPWVBZAUPM-HOTGVXAUSA-N 1 1 297.487 3.376 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC(C)(C)C)[C@@H]2C1 ZINC001221442975 816313884 /nfs/dbraw/zinc/31/38/84/816313884.db2.gz FMTHONUQWPGQQM-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CCC(=O)N1C[C@H]2CC[N@H+](CC/C=C/CC)C[C@H]21 ZINC001221585157 816320845 /nfs/dbraw/zinc/32/08/45/816320845.db2.gz VPFUSNMBMDESQF-SDKBWNRFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)CC(C)(C)C)[C@@H]2C1 ZINC001221853264 816330986 /nfs/dbraw/zinc/33/09/86/816330986.db2.gz CWMYKXSAEMGIRD-ARFHVFGLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@H](C)CC)[C@@H]2C1 ZINC001221889972 816333142 /nfs/dbraw/zinc/33/31/42/816333142.db2.gz XAMHVHZUJKKMKW-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](CC)C(C)C)[C@@H]2C1 ZINC001221961127 816336221 /nfs/dbraw/zinc/33/62/21/816336221.db2.gz SMPWFKAJXMLRQQ-BRWVUGGUSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]2CC[N@@H+](C/C=C/Cl)[C@H]2C1 ZINC001222789497 816518252 /nfs/dbraw/zinc/51/82/52/816518252.db2.gz LYQQZYGTFJARTR-CXAXABNOSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)CCC)C[C@@H]21 ZINC001223411979 816624076 /nfs/dbraw/zinc/62/40/76/816624076.db2.gz WWPDHHKUDVCZCD-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@](C)(CC)CCC)C[C@@H]21 ZINC001223763717 816678513 /nfs/dbraw/zinc/67/85/13/816678513.db2.gz IVOKIJXQVGMSKR-RYRKJORJSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCCCCCCOC[C@H]1C[N@H+](C)CCO1 ZINC001224507945 816816973 /nfs/dbraw/zinc/81/69/73/816816973.db2.gz OJKLHPPOMQGQMH-MRXNPFEDSA-N 1 1 269.429 3.250 20 30 CGEDMO C=CCCCCCCCCOC[C@H]1C[N@@H+](C)CCO1 ZINC001224507945 816816985 /nfs/dbraw/zinc/81/69/85/816816985.db2.gz OJKLHPPOMQGQMH-MRXNPFEDSA-N 1 1 269.429 3.250 20 30 CGEDMO CC[C@H](C#Cc1ccccc1)OC[C@@H]1CCCC[N@H+]1C ZINC001224708031 816861758 /nfs/dbraw/zinc/86/17/58/816861758.db2.gz WEXRWCSLFLEPPM-ZWKOTPCHSA-N 1 1 271.404 3.318 20 30 CGEDMO CC[C@@H](C#Cc1ccccc1)OC[C@H]1CCCC[N@H+]1C ZINC001224708028 816861890 /nfs/dbraw/zinc/86/18/90/816861890.db2.gz WEXRWCSLFLEPPM-MSOLQXFVSA-N 1 1 271.404 3.318 20 30 CGEDMO C=CC[C@@H](C=C)OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001224961039 816919111 /nfs/dbraw/zinc/91/91/11/816919111.db2.gz KEPJBNAKTWBTSO-QZTJIDSGSA-N 1 1 287.403 3.035 20 30 CGEDMO C=CC[C@@H](C=C)OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001224961039 816919117 /nfs/dbraw/zinc/91/91/17/816919117.db2.gz KEPJBNAKTWBTSO-QZTJIDSGSA-N 1 1 287.403 3.035 20 30 CGEDMO C=CCc1ccc(O[C@H]2CCC[N@H+](CC)C2)c(OC)c1 ZINC001227927045 817756614 /nfs/dbraw/zinc/75/66/14/817756614.db2.gz PGUSWWANWUAEKC-HNNXBMFYSA-N 1 1 275.392 3.287 20 30 CGEDMO Cc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)ccc1C(C)C ZINC001228201600 817837848 /nfs/dbraw/zinc/83/78/48/817837848.db2.gz OQIXSCHILNPMQP-UEMTWOCFSA-N 1 1 287.403 3.110 20 30 CGEDMO Cc1cc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)ccc1C(C)C ZINC001228201600 817837859 /nfs/dbraw/zinc/83/78/59/817837859.db2.gz OQIXSCHILNPMQP-UEMTWOCFSA-N 1 1 287.403 3.110 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)/C=C\C(C)(C)C ZINC001231285271 818068526 /nfs/dbraw/zinc/06/85/26/818068526.db2.gz ZWNOGXAQTSHYPR-PLLXSZFYSA-N 1 1 292.467 3.476 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)/C=C\c1ccco1 ZINC001231301689 818072915 /nfs/dbraw/zinc/07/29/15/818072915.db2.gz ZSYDDCLNRAHUAV-JQPIKURYSA-N 1 1 290.407 3.086 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)c1cccs1 ZINC001231403058 818091904 /nfs/dbraw/zinc/09/19/04/818091904.db2.gz WMXBYFXOJLQLHI-ZDUSSCGKSA-N 1 1 280.437 3.155 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](C)[C@@H](C)C1 ZINC001231616624 818138567 /nfs/dbraw/zinc/13/85/67/818138567.db2.gz ISBGZDKQLGNOHR-KGLIPLIRSA-N 1 1 272.392 3.435 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CCC[C@@H](Oc3ccncc3)C2)c1 ZINC001231662210 818153367 /nfs/dbraw/zinc/15/33/67/818153367.db2.gz BVIMGYVCMOLODF-LJQANCHMSA-N 1 1 292.382 3.106 20 30 CGEDMO C#Cc1cccc(C[N@H+](CC)Cc2ccc3c(c2)OCO3)c1 ZINC001231664579 818153960 /nfs/dbraw/zinc/15/39/60/818153960.db2.gz SMTOIDMRZWQTFJ-UHFFFAOYSA-N 1 1 293.366 3.419 20 30 CGEDMO C#Cc1cccc(C[N@@H+](C)CCCC(=O)c2cccnc2)c1 ZINC001231664184 818154012 /nfs/dbraw/zinc/15/40/12/818154012.db2.gz WNOCWSISGSBKBI-UHFFFAOYSA-N 1 1 292.382 3.158 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)nc2C)C1 ZINC001231797777 818178738 /nfs/dbraw/zinc/17/87/38/818178738.db2.gz FZINIRQROMXOPO-MRXNPFEDSA-N 1 1 291.398 3.297 20 30 CGEDMO CCCOc1ncccc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC001231863423 818191868 /nfs/dbraw/zinc/19/18/68/818191868.db2.gz ZDOJZNWAGDUYTE-UHFFFAOYSA-N 1 1 295.386 3.374 20 30 CGEDMO CCCOc1ncccc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001231863423 818191873 /nfs/dbraw/zinc/19/18/73/818191873.db2.gz ZDOJZNWAGDUYTE-UHFFFAOYSA-N 1 1 295.386 3.374 20 30 CGEDMO N#Cc1ccc2c(c1)CCN(Cc1cccc(Cl)c1[O-])C2 ZINC001231910727 818209308 /nfs/dbraw/zinc/20/93/08/818209308.db2.gz RPAUTCXJSKWNMP-UHFFFAOYSA-N 1 1 298.773 3.476 20 30 CGEDMO C[NH+](C)Cc1cc(F)cc(CN2CCC[C@H](CC#N)C2)c1 ZINC001232146213 818263994 /nfs/dbraw/zinc/26/39/94/818263994.db2.gz LVHSOJGWVMZBDN-CQSZACIVSA-N 1 1 289.398 3.013 20 30 CGEDMO COc1ccccc1[C@@H](C)[N@@H+](C)Cc1cc(C#N)ccc1[O-] ZINC001232678675 818416490 /nfs/dbraw/zinc/41/64/90/818416490.db2.gz MRETYLOWAUSFOS-CYBMUJFWSA-N 1 1 296.370 3.465 20 30 CGEDMO CCC[C@@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1[O-] ZINC001232679180 818417621 /nfs/dbraw/zinc/41/76/21/818417621.db2.gz GBDGFKVNWKWVFM-OAHLLOKOSA-N 1 1 258.365 3.418 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)s1)CC1CC(F)(F)C1 ZINC001232845639 818455241 /nfs/dbraw/zinc/45/52/41/818455241.db2.gz HDDYAKSZJUPHDI-UHFFFAOYSA-N 1 1 256.321 3.097 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC001232891921 818466529 /nfs/dbraw/zinc/46/65/29/818466529.db2.gz UGCXQZOODLNRIV-HNNXBMFYSA-N 1 1 295.361 3.472 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC001232891921 818466532 /nfs/dbraw/zinc/46/65/32/818466532.db2.gz UGCXQZOODLNRIV-HNNXBMFYSA-N 1 1 295.361 3.472 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCCC23CC3)ccc1Br ZINC001232892414 818467418 /nfs/dbraw/zinc/46/74/18/818467418.db2.gz IXEOODNCXZORED-UHFFFAOYSA-N 1 1 291.192 3.449 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCCC23CC3)ccc1Br ZINC001232892414 818467421 /nfs/dbraw/zinc/46/74/21/818467421.db2.gz IXEOODNCXZORED-UHFFFAOYSA-N 1 1 291.192 3.449 20 30 CGEDMO Cc1ccc(C[NH+]2CCC(C(F)F)CC2)c(C#N)c1 ZINC001232967091 818485179 /nfs/dbraw/zinc/48/51/79/818485179.db2.gz AUEGZSAYGUPCQG-UHFFFAOYSA-N 1 1 264.319 3.344 20 30 CGEDMO N#Cc1cc[nH]c1C[N@H+](Cc1ccccc1)C1CCOCC1 ZINC001233047195 818507024 /nfs/dbraw/zinc/50/70/24/818507024.db2.gz QXWVAIYUBFSOHO-UHFFFAOYSA-N 1 1 295.386 3.068 20 30 CGEDMO N#Cc1cc[nH]c1C[N@@H+](Cc1ccccc1)C1CCOCC1 ZINC001233047195 818507034 /nfs/dbraw/zinc/50/70/34/818507034.db2.gz QXWVAIYUBFSOHO-UHFFFAOYSA-N 1 1 295.386 3.068 20 30 CGEDMO N#Cc1cc[nH]c1C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC001233045165 818507659 /nfs/dbraw/zinc/50/76/59/818507659.db2.gz QIHCXPHQQIKEID-INIZCTEOSA-N 1 1 265.360 3.266 20 30 CGEDMO N#Cc1cc[nH]c1C[NH+]1CCC(c2ccccc2)CC1 ZINC001233044112 818508521 /nfs/dbraw/zinc/50/85/21/818508521.db2.gz PRTYIRZKHVYYKQ-UHFFFAOYSA-N 1 1 265.360 3.266 20 30 CGEDMO C[N@@H+](Cc1[nH]ccc1C#N)C(C)(C)Cc1ccccc1 ZINC001233048358 818511068 /nfs/dbraw/zinc/51/10/68/818511068.db2.gz DXBTUXXKIFQHHG-UHFFFAOYSA-N 1 1 267.376 3.339 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@](C)(F)[C@H](F)C1 ZINC001233080724 818520015 /nfs/dbraw/zinc/52/00/15/818520015.db2.gz VIYRNXSDEUENJL-CABCVRRESA-N 1 1 264.319 3.139 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001233079881 818519724 /nfs/dbraw/zinc/51/97/24/818519724.db2.gz PWSHRQRJRFNEGD-RDJZCZTQSA-N 1 1 254.377 3.489 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@](C)(F)[C@H](F)C1 ZINC001233080724 818520009 /nfs/dbraw/zinc/52/00/09/818520009.db2.gz VIYRNXSDEUENJL-CABCVRRESA-N 1 1 264.319 3.139 20 30 CGEDMO Cc1nc2c(s1)C[N@H+](Cc1ccc(C#N)cc1C)CC2 ZINC001233082799 818521984 /nfs/dbraw/zinc/52/19/84/818521984.db2.gz HXKHSMBCPDAZLK-UHFFFAOYSA-N 1 1 283.400 3.190 20 30 CGEDMO Cc1nc2c(s1)C[N@@H+](Cc1ccc(C#N)cc1C)CC2 ZINC001233082799 818521990 /nfs/dbraw/zinc/52/19/90/818521990.db2.gz HXKHSMBCPDAZLK-UHFFFAOYSA-N 1 1 283.400 3.190 20 30 CGEDMO COCOc1cccc(C[N@H+](CCC#N)C2CCCC2)c1 ZINC001233281131 818564008 /nfs/dbraw/zinc/56/40/08/818564008.db2.gz PJGFLGNCYOSYCX-UHFFFAOYSA-N 1 1 288.391 3.328 20 30 CGEDMO COCOc1cccc(C[N@@H+](CCC#N)C2CCCC2)c1 ZINC001233281131 818564015 /nfs/dbraw/zinc/56/40/15/818564015.db2.gz PJGFLGNCYOSYCX-UHFFFAOYSA-N 1 1 288.391 3.328 20 30 CGEDMO C=CC[NH+]1CCN(Cc2c(Cl)cccc2SC)CC1 ZINC001233352706 818595466 /nfs/dbraw/zinc/59/54/66/818595466.db2.gz PUBCTSXJMNSMLY-UHFFFAOYSA-N 1 1 296.867 3.366 20 30 CGEDMO C[C@@H]1c2ccccc2CC[N@H+]1Cc1ccc(C#N)cc1O ZINC001233383216 818604484 /nfs/dbraw/zinc/60/44/84/818604484.db2.gz ANPDBLPNINSQRP-CYBMUJFWSA-N 1 1 278.355 3.383 20 30 CGEDMO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(C#N)cc1O ZINC001233383216 818604487 /nfs/dbraw/zinc/60/44/87/818604487.db2.gz ANPDBLPNINSQRP-CYBMUJFWSA-N 1 1 278.355 3.383 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c(O)c1 ZINC001233386409 818607324 /nfs/dbraw/zinc/60/73/24/818607324.db2.gz SFFWQHBFUSEITR-QGZVFWFLSA-N 1 1 292.382 3.328 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](Cc3ccccc3)C2)c(O)c1 ZINC001233386409 818607328 /nfs/dbraw/zinc/60/73/28/818607328.db2.gz SFFWQHBFUSEITR-QGZVFWFLSA-N 1 1 292.382 3.328 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2cn3ccc(Cl)cc3n2)CC1 ZINC001233391518 818609166 /nfs/dbraw/zinc/60/91/66/818609166.db2.gz KRSRKRLXVSVJIN-GFCCVEGCSA-N 1 1 288.782 3.113 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2cn3ccc(Cl)cc3n2)CC1 ZINC001233391518 818609169 /nfs/dbraw/zinc/60/91/69/818609169.db2.gz KRSRKRLXVSVJIN-GFCCVEGCSA-N 1 1 288.782 3.113 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)c(C)o1 ZINC001233612819 818658700 /nfs/dbraw/zinc/65/87/00/818658700.db2.gz ZCIDCGVIRCFROU-HNNXBMFYSA-N 1 1 290.407 3.009 20 30 CGEDMO C[N@H+]1CCC[C@H](Oc2cc(C#N)cc(C(F)(F)F)c2)CC1 ZINC001233659538 818672415 /nfs/dbraw/zinc/67/24/15/818672415.db2.gz XBOKNNPJXHZBRI-ZDUSSCGKSA-N 1 1 298.308 3.440 20 30 CGEDMO C=CCCC[N@@H+](C)CCCNC(=O)CC1CCCCC1 ZINC001233680060 818679034 /nfs/dbraw/zinc/67/90/34/818679034.db2.gz YDNRNTCKRXMHFC-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)C[C@@H]1C=CCC1 ZINC001233760508 818698720 /nfs/dbraw/zinc/69/87/20/818698720.db2.gz ZQDJQNUKSUHAIO-HZPDHXFCSA-N 1 1 278.440 3.136 20 30 CGEDMO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1C[C@@H](C)CC(C)C ZINC001233948463 818738210 /nfs/dbraw/zinc/73/82/10/818738210.db2.gz WHJIYCOFGYBVOG-IRXDYDNUSA-N 1 1 292.467 3.005 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1ccc(-n2ccnc2)c(OC)c1 ZINC001234066832 818771585 /nfs/dbraw/zinc/77/15/85/818771585.db2.gz QCUYXFNQLYZVII-UHFFFAOYSA-N 1 1 298.390 3.007 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1ccc(-n2ccnc2)c(OC)c1 ZINC001234066832 818771592 /nfs/dbraw/zinc/77/15/92/818771592.db2.gz QCUYXFNQLYZVII-UHFFFAOYSA-N 1 1 298.390 3.007 20 30 CGEDMO C[N@H+]1CCc2c(cccc2O[C@@H](C#N)c2ccccc2)C1 ZINC001234420344 818849931 /nfs/dbraw/zinc/84/99/31/818849931.db2.gz PTNDNFGVAUEYKF-SFHVURJKSA-N 1 1 278.355 3.318 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CC(C)(C)C=C ZINC001234537805 818876961 /nfs/dbraw/zinc/87/69/61/818876961.db2.gz QZUHLIVVOPNRDB-CVEARBPZSA-N 1 1 292.467 3.476 20 30 CGEDMO C=CC(C)(C)CC(=O)N(C)C[C@H]1CC[N@@H+]1CC/C=C\CC ZINC001234537298 818877286 /nfs/dbraw/zinc/87/72/86/818877286.db2.gz MLPABYSAQVLDIQ-HLRDLLSLSA-N 1 1 292.467 3.478 20 30 CGEDMO CCCCCCCCCCN1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001235027273 818982561 /nfs/dbraw/zinc/98/25/61/818982561.db2.gz ZUGYIUAFYKLMTO-JKSUJKDBSA-N 1 1 252.446 3.421 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cc(C)c(OCCO)c(C)c1 ZINC001235377812 819081563 /nfs/dbraw/zinc/08/15/63/819081563.db2.gz ZBJMZPKHCLUEFX-UHFFFAOYSA-N 1 1 291.435 3.463 20 30 CGEDMO C[C@H]1c2cccn2CC[N@H+]1Cc1ccccc1CC#N ZINC001235530177 819115922 /nfs/dbraw/zinc/11/59/22/819115922.db2.gz SCKCMTFEMBQKGL-AWEZNQCLSA-N 1 1 265.360 3.131 20 30 CGEDMO C[C@H]1c2cccn2CC[N@@H+]1Cc1ccccc1CC#N ZINC001235530177 819115926 /nfs/dbraw/zinc/11/59/26/819115926.db2.gz SCKCMTFEMBQKGL-AWEZNQCLSA-N 1 1 265.360 3.131 20 30 CGEDMO CC(C)(C)OC(=O)n1cccc1C[NH+]1CCC(S)CC1 ZINC001235632321 819128782 /nfs/dbraw/zinc/12/87/82/819128782.db2.gz NAKOYTRLJDXGNK-UHFFFAOYSA-N 1 1 296.436 3.166 20 30 CGEDMO CCC[N@@H+](Cc1c(F)cc(C#N)cc1F)C1CCOCC1 ZINC001235660108 819130081 /nfs/dbraw/zinc/13/00/81/819130081.db2.gz DPPHFQCEJPSDHC-UHFFFAOYSA-N 1 1 294.345 3.227 20 30 CGEDMO CCCCCCC[N@@H+](CC)C[C@@H]1CNC(C)(C)O1 ZINC001235663179 819131854 /nfs/dbraw/zinc/13/18/54/819131854.db2.gz VKZLCOSENOTERG-AWEZNQCLSA-N 1 1 256.434 3.003 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCc2ccc(N)cc2C1 ZINC001236235365 819396084 /nfs/dbraw/zinc/39/60/84/819396084.db2.gz YWXCBQJNQXXXRX-UHFFFAOYSA-N 1 1 291.398 3.261 20 30 CGEDMO CCCCCCCCCC[N@@H+]1CC[C@@](F)(CN)C1 ZINC001236433662 819476802 /nfs/dbraw/zinc/47/68/02/819476802.db2.gz GQZQJXNHMDGEIT-OAHLLOKOSA-N 1 1 258.425 3.500 20 30 CGEDMO CCCCCCCCCC[N@H+]1CC[C@@](F)(CN)C1 ZINC001236433662 819476804 /nfs/dbraw/zinc/47/68/04/819476804.db2.gz GQZQJXNHMDGEIT-OAHLLOKOSA-N 1 1 258.425 3.500 20 30 CGEDMO N#Cc1ccc(-c2ccc(C[NH+]3CCOCC3)cc2)c(F)c1 ZINC001236525014 819515713 /nfs/dbraw/zinc/51/57/13/819515713.db2.gz GCYJKCHBVUJWCU-UHFFFAOYSA-N 1 1 296.345 3.197 20 30 CGEDMO C=CC[N@@H+](Cc1nccnc1Cl)C1CCCCC1 ZINC001236626409 819555007 /nfs/dbraw/zinc/55/50/07/819555007.db2.gz YYTDMPCGGNBDHL-UHFFFAOYSA-N 1 1 265.788 3.451 20 30 CGEDMO C=CC[N@H+](Cc1nccnc1Cl)C1CCCCC1 ZINC001236626409 819555011 /nfs/dbraw/zinc/55/50/11/819555011.db2.gz YYTDMPCGGNBDHL-UHFFFAOYSA-N 1 1 265.788 3.451 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cc(OC)cc(C(=O)OC)c1 ZINC001236761056 819592456 /nfs/dbraw/zinc/59/24/56/819592456.db2.gz AWOVBEGFERVBFL-UHFFFAOYSA-N 1 1 291.391 3.270 20 30 CGEDMO CCc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(O)c1 ZINC001236795595 819597695 /nfs/dbraw/zinc/59/76/95/819597695.db2.gz WWSVQKVEBLDPJS-MKZZRHPPSA-N 1 1 270.376 3.221 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(OC)c(F)cc1F ZINC001236833609 819613896 /nfs/dbraw/zinc/61/38/96/819613896.db2.gz GLLYLLIWMLIDIZ-UHFFFAOYSA-N 1 1 255.308 3.371 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCN[C@@H](C(F)(F)F)C2)CC1 ZINC001236979776 819639780 /nfs/dbraw/zinc/63/97/80/819639780.db2.gz GICICCIBKJPWGK-ZIAGYGMSSA-N 1 1 288.357 3.125 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCN[C@@H](C(F)(F)F)C2)CC1 ZINC001236979776 819639785 /nfs/dbraw/zinc/63/97/85/819639785.db2.gz GICICCIBKJPWGK-ZIAGYGMSSA-N 1 1 288.357 3.125 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccncc1C(F)(F)F ZINC001237295396 819718966 /nfs/dbraw/zinc/71/89/66/819718966.db2.gz QZDCHYUELSESFT-UOJUARBOSA-N 1 1 295.308 3.367 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccncc1C(F)(F)F ZINC001237295396 819718970 /nfs/dbraw/zinc/71/89/70/819718970.db2.gz QZDCHYUELSESFT-UOJUARBOSA-N 1 1 295.308 3.367 20 30 CGEDMO CSC1CC[NH+](Cc2cc(C#N)c(F)cc2F)CC1 ZINC001237526413 819771939 /nfs/dbraw/zinc/77/19/39/819771939.db2.gz BIOJESXVFKBZLO-UHFFFAOYSA-N 1 1 282.359 3.164 20 30 CGEDMO N#C[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(O)cc3)cc2)C1 ZINC001237666067 819800208 /nfs/dbraw/zinc/80/02/08/819800208.db2.gz PLPLPWRIDHHAAG-OAHLLOKOSA-N 1 1 278.355 3.405 20 30 CGEDMO N#C[C@H]1CC[N@H+](Cc2ccc(-c3ccc(O)cc3)cc2)C1 ZINC001237666067 819800215 /nfs/dbraw/zinc/80/02/15/819800215.db2.gz PLPLPWRIDHHAAG-OAHLLOKOSA-N 1 1 278.355 3.405 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)c1 ZINC001237747458 819835226 /nfs/dbraw/zinc/83/52/26/819835226.db2.gz BYLARYFYBDTOJV-GDBMZVCRSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)c1 ZINC001237747458 819835229 /nfs/dbraw/zinc/83/52/29/819835229.db2.gz BYLARYFYBDTOJV-GDBMZVCRSA-N 1 1 290.794 3.213 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)CC[C@]1(C)O ZINC001237747330 819836425 /nfs/dbraw/zinc/83/64/25/819836425.db2.gz UMHQSURVMRHSBM-LRDDRELGSA-N 1 1 292.810 3.195 20 30 CGEDMO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Cl)cc(C#N)c1 ZINC001237754379 819838119 /nfs/dbraw/zinc/83/81/19/819838119.db2.gz UTMULQQRKAGNNJ-XYPWUTKMSA-N 1 1 290.794 3.353 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnc(C2CC2)s1 ZINC001237788576 819839098 /nfs/dbraw/zinc/83/90/98/819839098.db2.gz GCGMMSPYFNJUJI-UOJUARBOSA-N 1 1 273.405 3.287 20 30 CGEDMO C=CCC[N@H+](Cc1ccccc1)Cc1ncc(C)cn1 ZINC001237805175 819847568 /nfs/dbraw/zinc/84/75/68/819847568.db2.gz BXLAEHYPRRBMAF-UHFFFAOYSA-N 1 1 267.376 3.363 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1ncc(C)cn1 ZINC001237805175 819847573 /nfs/dbraw/zinc/84/75/73/819847573.db2.gz BXLAEHYPRRBMAF-UHFFFAOYSA-N 1 1 267.376 3.363 20 30 CGEDMO COc1cc(-c2ccc[nH]2)[nH]c1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001237881729 819868865 /nfs/dbraw/zinc/86/88/65/819868865.db2.gz HNHRATLSOGJEOO-CYBMUJFWSA-N 1 1 298.390 3.144 20 30 CGEDMO COc1cc(-c2ccc[nH]2)[nH]c1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001237881729 819868875 /nfs/dbraw/zinc/86/88/75/819868875.db2.gz HNHRATLSOGJEOO-CYBMUJFWSA-N 1 1 298.390 3.144 20 30 CGEDMO COc1ncc(C2CC2)cc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001238026452 819914975 /nfs/dbraw/zinc/91/49/75/819914975.db2.gz OSUDCTDVDCMLAK-CYBMUJFWSA-N 1 1 285.391 3.093 20 30 CGEDMO COc1ncc(C2CC2)cc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001238026452 819914984 /nfs/dbraw/zinc/91/49/84/819914984.db2.gz OSUDCTDVDCMLAK-CYBMUJFWSA-N 1 1 285.391 3.093 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCc3cccc(O)c3C2)c(Cl)c1 ZINC001238085610 819927888 /nfs/dbraw/zinc/92/78/88/819927888.db2.gz BCCTVWZSPJTXLF-UHFFFAOYSA-N 1 1 298.773 3.476 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCc3cccc(O)c3C2)c(Cl)c1 ZINC001238085610 819927893 /nfs/dbraw/zinc/92/78/93/819927893.db2.gz BCCTVWZSPJTXLF-UHFFFAOYSA-N 1 1 298.773 3.476 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(Cl)c(C#N)c2)CCC[C@@]1(C)O ZINC001238188400 819950575 /nfs/dbraw/zinc/95/05/75/819950575.db2.gz CNVYDYAFJRPHQB-MLGOLLRUSA-N 1 1 292.810 3.195 20 30 CGEDMO Cc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)cnc1OC(C)C ZINC001238389355 819984115 /nfs/dbraw/zinc/98/41/15/819984115.db2.gz HNQLVWDGRUAJCK-OAHLLOKOSA-N 1 1 287.407 3.303 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@H](CC#N)C2)cnc1OC(C)C ZINC001238389355 819984123 /nfs/dbraw/zinc/98/41/23/819984123.db2.gz HNQLVWDGRUAJCK-OAHLLOKOSA-N 1 1 287.407 3.303 20 30 CGEDMO C=CC[NH+]1CCN(Cc2ccc(OCC)cc2Cl)CC1 ZINC001238400911 819987184 /nfs/dbraw/zinc/98/71/84/819987184.db2.gz UPNTXLDBMNMPDQ-UHFFFAOYSA-N 1 1 294.826 3.042 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@@H](C#N)CC2)cnc1C1CC1 ZINC001238628709 820068082 /nfs/dbraw/zinc/06/80/82/820068082.db2.gz QWUIEWIRMLMWQL-CQSZACIVSA-N 1 1 269.392 3.393 20 30 CGEDMO C#CC[NH+](CC#C)Cc1ccc(-c2ccc(Cl)cn2)cc1 ZINC001238686243 820082330 /nfs/dbraw/zinc/08/23/30/820082330.db2.gz YYFORKOSYLKXBA-UHFFFAOYSA-N 1 1 294.785 3.470 20 30 CGEDMO N#Cc1c(F)cc(-c2cc(-n3ccnc3)cc[nH+]2)cc1F ZINC001239921734 820699794 /nfs/dbraw/zinc/69/97/94/820699794.db2.gz QWXMQCATSZWNPW-UHFFFAOYSA-N 1 1 282.253 3.084 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2ccc(=O)n(C)c2)cc1 ZINC001240335266 820972134 /nfs/dbraw/zinc/97/21/34/820972134.db2.gz WWGDCURIFFFMTL-SFHVURJKSA-N 1 1 294.398 3.375 20 30 CGEDMO N#Cc1cc(C2=CCC[N@@H+](Cc3ccccc3)C2)cnc1F ZINC001240387990 821012138 /nfs/dbraw/zinc/01/21/38/821012138.db2.gz ZOZVLUNSUITWGX-UHFFFAOYSA-N 1 1 293.345 3.382 20 30 CGEDMO N#Cc1cnc(C2=CC[N@@H+](Cc3ccccc3)CC2)c(F)c1 ZINC001241502287 821903621 /nfs/dbraw/zinc/90/36/21/821903621.db2.gz SSRWYZOYKJXZTB-UHFFFAOYSA-N 1 1 293.345 3.382 20 30 CGEDMO C=CC[N@H+](C)CCCN(C)C(=O)c1cccc(C2CC2)c1 ZINC001327290649 935052586 /nfs/dbraw/zinc/05/25/86/935052586.db2.gz ICSJFNOOIMKNGU-UHFFFAOYSA-N 1 1 286.419 3.144 20 30 CGEDMO C=CCn1cnn(C[N@H+](CC2CC2)CC2CCC2)c1=S ZINC001339659352 936381720 /nfs/dbraw/zinc/38/17/20/936381720.db2.gz MQDXMRLPOCTDKG-UHFFFAOYSA-N 1 1 292.452 3.070 20 30 CGEDMO C=CCn1cnn(C[N@@H+](CC2CC2)CC2CCC2)c1=S ZINC001339659352 936381724 /nfs/dbraw/zinc/38/17/24/936381724.db2.gz MQDXMRLPOCTDKG-UHFFFAOYSA-N 1 1 292.452 3.070 20 30 CGEDMO C=CCn1cnn(C[N@H+]2CCC[C@@H]2[C@H](C)CCC)c1=S ZINC001340590751 936408547 /nfs/dbraw/zinc/40/85/47/936408547.db2.gz UNAOPITTXVYQMX-ZIAGYGMSSA-N 1 1 294.468 3.458 20 30 CGEDMO C=CCn1cnn(C[N@@H+]2CCC[C@@H]2[C@H](C)CCC)c1=S ZINC001340590751 936408549 /nfs/dbraw/zinc/40/85/49/936408549.db2.gz UNAOPITTXVYQMX-ZIAGYGMSSA-N 1 1 294.468 3.458 20 30 CGEDMO C=C[C@@H](COC)[NH2+]Cc1ccc(CSC(F)F)o1 ZINC001342727151 936477087 /nfs/dbraw/zinc/47/70/87/936477087.db2.gz HXSBQMQVZVWFSU-VIFPVBQESA-N 1 1 277.336 3.026 20 30 CGEDMO C#CCC1(c2nc([C@@H]([NH3+])c3ccccc3)no2)CCCCC1 ZINC001345932431 936830723 /nfs/dbraw/zinc/83/07/23/936830723.db2.gz WYKVUVZRBBJXCD-HNNXBMFYSA-N 1 1 295.386 3.343 20 30 CGEDMO Cc1cc(OCc2ccc(C#N)cc2Cl)cc[nH+]1 ZINC001349497873 936950586 /nfs/dbraw/zinc/95/05/86/936950586.db2.gz HTUAYAPPFQXJKM-UHFFFAOYSA-N 1 1 258.708 3.494 20 30 CGEDMO CCCCCCCC[N@H+]1CCC[C@@H]1C1OCCO1 ZINC001473843345 937824571 /nfs/dbraw/zinc/82/45/71/937824571.db2.gz BPEZOYPXMGGUDT-CQSZACIVSA-N 1 1 255.402 3.184 20 30 CGEDMO C#Cc1ccc(NC(=O)c2sccc2C[NH+](C)C)cc1 ZINC001472285541 937091852 /nfs/dbraw/zinc/09/18/52/937091852.db2.gz AARFCDXUXVASOV-UHFFFAOYSA-N 1 1 284.384 3.043 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)c1ccsc1C ZINC001480861992 926679124 /nfs/dbraw/zinc/67/91/24/926679124.db2.gz HCHXSKDEWJAJES-LBPRGKRZSA-N 1 1 280.437 3.073 20 30 CGEDMO Cc1cc(F)ccc1C[N@H+](C)Cc1cncc(C#N)c1 ZINC001354700190 937110322 /nfs/dbraw/zinc/11/03/22/937110322.db2.gz JOIQYIXLTUYHOO-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO Cc1cc(F)ccc1C[N@@H+](C)Cc1cncc(C#N)c1 ZINC001354700190 937110325 /nfs/dbraw/zinc/11/03/25/937110325.db2.gz JOIQYIXLTUYHOO-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@H+]2CCCC23CCC3)cc1 ZINC001354712827 937111088 /nfs/dbraw/zinc/11/10/88/937111088.db2.gz IDCOBVFXGGONKK-UHFFFAOYSA-N 1 1 282.387 3.015 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)c1ccc(Cl)cc1F ZINC001480987166 926853687 /nfs/dbraw/zinc/85/36/87/926853687.db2.gz XQOLAGBUBQWSDZ-UHFFFAOYSA-N 1 1 298.789 3.107 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)CCC1CCCC1 ZINC001481023640 926863973 /nfs/dbraw/zinc/86/39/73/926863973.db2.gz IRKZJQIAUQPMHV-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)CC(C)=C(C)C ZINC001481054259 926871889 /nfs/dbraw/zinc/87/18/89/926871889.db2.gz XVNOMMVIXXFROX-AWEZNQCLSA-N 1 1 284.831 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)CC(C)=C(C)C ZINC001481054259 926871897 /nfs/dbraw/zinc/87/18/97/926871897.db2.gz XVNOMMVIXXFROX-AWEZNQCLSA-N 1 1 284.831 3.066 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H](C)CCCCC ZINC001481061488 926877764 /nfs/dbraw/zinc/87/77/64/926877764.db2.gz YFPHCSPZUUWGBZ-IAGOWNOFSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1CC[N@H+](CC(CC)CC)C1 ZINC001481105717 926886604 /nfs/dbraw/zinc/88/66/04/926886604.db2.gz MAKMXHARXNQLKX-HNNXBMFYSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)C1CCCCCC1 ZINC001481131632 926893544 /nfs/dbraw/zinc/89/35/44/926893544.db2.gz NBONIQNBUNKMFI-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C#CC[N@@H+](CCC)CCNC(=O)C(C)(C)C1CCCCC1 ZINC001481150489 926896770 /nfs/dbraw/zinc/89/67/70/926896770.db2.gz JTNMCJFUWLABNB-UHFFFAOYSA-N 1 1 292.467 3.054 20 30 CGEDMO C=C(C)CC[N@H+](CCCNC(=O)C=C1CCC1)C(C)C ZINC001481348665 926962915 /nfs/dbraw/zinc/96/29/15/926962915.db2.gz HRTZUMMZTGTQGY-UHFFFAOYSA-N 1 1 278.440 3.280 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)C(C)(C)C(C)C)C(C)C ZINC001481352337 926965205 /nfs/dbraw/zinc/96/52/05/926965205.db2.gz SCWMZEJHKZUWHY-UHFFFAOYSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)c1cccn1C(C)C)C(C)C ZINC001481358452 926967189 /nfs/dbraw/zinc/96/71/89/926967189.db2.gz SETCPLIUBMEUCM-UHFFFAOYSA-N 1 1 291.439 3.085 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C\Cl ZINC001481384168 926974037 /nfs/dbraw/zinc/97/40/37/926974037.db2.gz DAMYWIYFWIGWBR-CIIFGRFGSA-N 1 1 296.842 3.016 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C\Cl ZINC001481384168 926974046 /nfs/dbraw/zinc/97/40/46/926974046.db2.gz DAMYWIYFWIGWBR-CIIFGRFGSA-N 1 1 296.842 3.016 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)C2CC2)C1 ZINC001481446429 926985932 /nfs/dbraw/zinc/98/59/32/926985932.db2.gz LQXSAYSACZGZDP-HNNXBMFYSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C1CCC(C(=O)NCC[C@H]2CC[N@H+](CCCC)C2)CC1 ZINC001481447374 926987268 /nfs/dbraw/zinc/98/72/68/926987268.db2.gz PZEIOALBBRJQIC-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)C[C@@H]2C=CCCC2)C1 ZINC001481489244 927002073 /nfs/dbraw/zinc/00/20/73/927002073.db2.gz NONKENAIHKSSMS-IAGOWNOFSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)CCCC)C1 ZINC001481485481 927002661 /nfs/dbraw/zinc/00/26/61/927002661.db2.gz YPMVKVATYRADDF-HOTGVXAUSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H](C[N@@H+](C)CC=C(C)C)C1 ZINC001481495382 927003793 /nfs/dbraw/zinc/00/37/93/927003793.db2.gz KESNQNFUXLXNHC-MRXNPFEDSA-N 1 1 292.467 3.335 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(C3CC3)c2)C1 ZINC001481510623 927009012 /nfs/dbraw/zinc/00/90/12/927009012.db2.gz ZRCPCCSQLXLBKX-HNNXBMFYSA-N 1 1 298.430 3.144 20 30 CGEDMO C#CCC[N@H+](C)CC1CCN(C(=O)CCCCCC)CC1 ZINC001481520797 927012687 /nfs/dbraw/zinc/01/26/87/927012687.db2.gz DMAOCBJMOTZIDG-UHFFFAOYSA-N 1 1 292.467 3.151 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)c1ccccc1Cl ZINC001482643712 927336341 /nfs/dbraw/zinc/33/63/41/927336341.db2.gz FSXGUHYDLMDNSJ-UHFFFAOYSA-N 1 1 294.826 3.310 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)CC(C)(C)C)CC[C@@H]21 ZINC001482656467 927337530 /nfs/dbraw/zinc/33/75/30/927337530.db2.gz WRHCNKCDPKDJBA-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc(F)c(Cl)c1 ZINC001483379086 927492479 /nfs/dbraw/zinc/49/24/79/927492479.db2.gz RKBFJRXNWIZLHG-LLVKDONJSA-N 1 1 298.789 3.105 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc(Cl)c(F)c1 ZINC001483386934 927496074 /nfs/dbraw/zinc/49/60/74/927496074.db2.gz DMNSXWCBGWEMJF-LLVKDONJSA-N 1 1 298.789 3.105 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)c1cccc2cc[nH]c21 ZINC001483388501 927496818 /nfs/dbraw/zinc/49/68/18/927496818.db2.gz REGVTTDIPYHLME-AWEZNQCLSA-N 1 1 299.418 3.184 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]1CNC(=O)CC(C)(C)C ZINC001483628746 927552205 /nfs/dbraw/zinc/55/22/05/927552205.db2.gz GUDPRRPPULWHLB-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)C1(CC=C)CCC1 ZINC001483676328 927566503 /nfs/dbraw/zinc/56/65/03/927566503.db2.gz BUAWTFUEMVZXRF-CVEARBPZSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC001483699679 927579747 /nfs/dbraw/zinc/57/97/47/927579747.db2.gz QAOOUFVORSYMCS-QGZVFWFLSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)CC(C)(C)C ZINC001483703977 927581111 /nfs/dbraw/zinc/58/11/11/927581111.db2.gz BRLNZURFSGIVCU-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)CC(C)(C)C ZINC001483703977 927581119 /nfs/dbraw/zinc/58/11/19/927581119.db2.gz BRLNZURFSGIVCU-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)CCC ZINC001483811454 927627842 /nfs/dbraw/zinc/62/78/42/927627842.db2.gz NEEXWRJYSKWHMO-CVEARBPZSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)/C(C)=C\C)C2)C1 ZINC001483828925 927630043 /nfs/dbraw/zinc/63/00/43/927630043.db2.gz DATGHPFLYWRPRC-JZWGVLFKSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCCCCC[NH+]1CC(N(C)C(=O)[C@]23C[C@H]2CCC3)C1 ZINC001483872377 927636729 /nfs/dbraw/zinc/63/67/29/927636729.db2.gz YYJMQVNFAWKXTI-CRAIPNDOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CCC(=O)N(C)C1C[NH+]([C@H]2CCc3ccccc32)C1 ZINC001483864438 927637466 /nfs/dbraw/zinc/63/74/66/927637466.db2.gz KSAQRZPWQUHCOA-SFHVURJKSA-N 1 1 298.430 3.173 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)CCCCCC)C1 ZINC001484069052 927671587 /nfs/dbraw/zinc/67/15/87/927671587.db2.gz ZNMUNQBNZZGDLW-OAHLLOKOSA-N 1 1 286.847 3.290 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)CCCCCC)C1 ZINC001484069052 927671600 /nfs/dbraw/zinc/67/16/00/927671600.db2.gz ZNMUNQBNZZGDLW-OAHLLOKOSA-N 1 1 286.847 3.290 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCCCF ZINC001484451981 927706054 /nfs/dbraw/zinc/70/60/54/927706054.db2.gz CHCSPRPKMGKSRY-HOTGVXAUSA-N 1 1 296.430 3.158 20 30 CGEDMO C=C(C)CCC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC001484554502 927720366 /nfs/dbraw/zinc/72/03/66/927720366.db2.gz XXZIRAPCHABSPU-UHFFFAOYSA-N 1 1 288.435 3.499 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)/C(C)=C\CC)CC1 ZINC001484708247 927741877 /nfs/dbraw/zinc/74/18/77/927741877.db2.gz OHTPBDOTSCUCOQ-NXADEVLQSA-N 1 1 278.440 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)C(C)(C)C)C(C)(C)C1 ZINC001484936458 927773615 /nfs/dbraw/zinc/77/36/15/927773615.db2.gz JFVFWJXTABXVRW-LSDHHAIUSA-N 1 1 294.483 3.461 20 30 CGEDMO CC#CCCCC(=O)N1CCC[C@@H]1C[N@H+](C)CCCCC ZINC001485065914 927798392 /nfs/dbraw/zinc/79/83/92/927798392.db2.gz QMFJBNSGBXYICN-QGZVFWFLSA-N 1 1 292.467 3.293 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)C(C)(CC)CC ZINC001485387243 927862488 /nfs/dbraw/zinc/86/24/88/927862488.db2.gz JRXAPQJSHYSLCF-CQSZACIVSA-N 1 1 268.445 3.215 20 30 CGEDMO CC[C@@H]1CC[N@@H+](CCOc2cccc(C#N)c2)[C@@H]1C ZINC001473402581 937199474 /nfs/dbraw/zinc/19/94/74/937199474.db2.gz LGEXZHHVZLBBBJ-UKRRQHHQSA-N 1 1 258.365 3.057 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C(C)(C)C)C(C)(C)C1 ZINC001485570741 927890973 /nfs/dbraw/zinc/89/09/73/927890973.db2.gz WJAYKSRXIWGJQQ-ZIAGYGMSSA-N 1 1 280.456 3.071 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC([N@H+](C)C[C@@H](C)CC)CC2)C1 ZINC001485762748 927916458 /nfs/dbraw/zinc/91/64/58/927916458.db2.gz BWLVWVYHPWYZEA-AWEZNQCLSA-N 1 1 292.467 3.312 20 30 CGEDMO C/C(=C\c1ccccc1OC(F)F)C[NH2+]CCC#N ZINC000356390340 927954997 /nfs/dbraw/zinc/95/49/97/927954997.db2.gz IKJHXWHCIDVCOM-PKNBQFBNSA-N 1 1 266.291 3.195 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)CCC3(C)CC3)CCC[C@@H]12 ZINC001486161317 927993089 /nfs/dbraw/zinc/99/30/89/927993089.db2.gz TXRUMFMFFQZSBQ-CRAIPNDOSA-N 1 1 290.451 3.256 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)[C@@H]1C[C@H]1C1CCC1)C(C)C ZINC001486377364 928014965 /nfs/dbraw/zinc/01/49/65/928014965.db2.gz ZKKDBMNEBIHUEH-DLBZAZTESA-N 1 1 292.467 3.168 20 30 CGEDMO C#CCCCCCC[N@H+](C)C[C@]12CCC[C@H]1OCC2 ZINC001560235125 937211738 /nfs/dbraw/zinc/21/17/38/937211738.db2.gz AAIDUCCLYPYQGA-IAGOWNOFSA-N 1 1 263.425 3.461 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)C(CCC)CCC)CC1 ZINC001486512816 928028523 /nfs/dbraw/zinc/02/85/23/928028523.db2.gz ATSJDDAAZJIMKC-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC001171204217 928200571 /nfs/dbraw/zinc/20/05/71/928200571.db2.gz UMQFWZRBQLQURZ-OLZOCXBDSA-N 1 1 278.346 3.466 20 30 CGEDMO N#CCC1CCC([N@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)CC1 ZINC001173332756 928228541 /nfs/dbraw/zinc/22/85/41/928228541.db2.gz FTRYRLWMSBJGCN-SOTJZCEJSA-N 1 1 298.430 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC(C)=C(C)C ZINC001488646250 928289227 /nfs/dbraw/zinc/28/92/27/928289227.db2.gz BEBCIQDHZQORHM-MRXNPFEDSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CC[C@H](C)CC)[C@H]1CC ZINC001489136693 928316529 /nfs/dbraw/zinc/31/65/29/928316529.db2.gz YMHJYGDHBJGDMI-OWCLPIDISA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)C[N@H+](C)CCCNC(=O)c1cc(F)ccc1CC ZINC001490223188 928335226 /nfs/dbraw/zinc/33/52/26/928335226.db2.gz YRLMLULLDCPIEH-UHFFFAOYSA-N 1 1 292.398 3.016 20 30 CGEDMO C=CCC[N@@H+](C)CCCNC(=O)c1cc2cc(C)ccc2[nH]1 ZINC001490233791 928337392 /nfs/dbraw/zinc/33/73/92/928337392.db2.gz UYKBEOKNMYJWPF-UHFFFAOYSA-N 1 1 299.418 3.104 20 30 CGEDMO C=C(C)C[N@@H+](C)CCCNC(=O)c1cccc(C2CC2)c1 ZINC001490282830 928341303 /nfs/dbraw/zinc/34/13/03/928341303.db2.gz DLXTXPSAEVCQDA-UHFFFAOYSA-N 1 1 286.419 3.192 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)[C@@H]1CCC[C@@H](C)C1)C1CC1 ZINC001490384003 928350093 /nfs/dbraw/zinc/35/00/93/928350093.db2.gz WTGBATNTHWOLPT-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)[C@H]1CCC[C@H](C)C1)C1CC1 ZINC001490384001 928350730 /nfs/dbraw/zinc/35/07/30/928350730.db2.gz WTGBATNTHWOLPT-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](NC(=O)C2CC(C)C2)C1 ZINC001490529831 928364500 /nfs/dbraw/zinc/36/45/00/928364500.db2.gz GRXNPGOYSMTUCA-UYSNPLJNSA-N 1 1 280.456 3.193 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)CC2(C)CCCCC2)C1 ZINC001490551115 928366198 /nfs/dbraw/zinc/36/61/98/928366198.db2.gz BYAIBUCMLDKCMK-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)C2=CCCCCC2)C1 ZINC001490537494 928367934 /nfs/dbraw/zinc/36/79/34/928367934.db2.gz ZCTJSPCEDXOOEC-WBVHZDCISA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C(CC)(CC)CC)C1 ZINC001490566349 928371710 /nfs/dbraw/zinc/37/17/10/928371710.db2.gz KHPATUHTLHEUFZ-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)CC2CCCC2)C1 ZINC001490563503 928372291 /nfs/dbraw/zinc/37/22/91/928372291.db2.gz NZHKEMJRJMURPR-DLBZAZTESA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCC=C)C1 ZINC001490986652 928824128 /nfs/dbraw/zinc/82/41/28/928824128.db2.gz RGBORIXLCAKDLB-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CC(CC)CC)C1 ZINC001491298805 928853111 /nfs/dbraw/zinc/85/31/11/928853111.db2.gz XKTDSVKUFVITLS-GOEBONIOSA-N 1 1 280.456 3.215 20 30 CGEDMO CCCCCCCC(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC001440037060 937325733 /nfs/dbraw/zinc/32/57/33/937325733.db2.gz YOSHADDAQUPWNI-UHFFFAOYSA-N 1 1 268.445 3.195 20 30 CGEDMO Cc1cc(F)c(C#N)c(N(C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC001458208445 937454965 /nfs/dbraw/zinc/45/49/65/937454965.db2.gz VCHGQXPVPZHFLQ-AWEZNQCLSA-N 1 1 289.398 3.316 20 30 CGEDMO CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001459601212 937493597 /nfs/dbraw/zinc/49/35/97/937493597.db2.gz BYXCDDRRDXBBQX-CVEARBPZSA-N 1 1 292.810 3.337 20 30 CGEDMO N#CCCCC[N@H+]1CCc2nc[nH]c2C12CCCCC2 ZINC001460774872 937544586 /nfs/dbraw/zinc/54/45/86/937544586.db2.gz YXYPBCCYLXJREE-UHFFFAOYSA-N 1 1 272.396 3.121 20 30 CGEDMO C[C@]12C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001460858274 937549787 /nfs/dbraw/zinc/54/97/87/937549787.db2.gz IHZYLYCJLAGDLE-JXSMBQFASA-N 1 1 282.362 3.341 20 30 CGEDMO C#C[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1OC ZINC001460913747 937552542 /nfs/dbraw/zinc/55/25/42/937552542.db2.gz BMYBUBCASVHDHE-CQSZACIVSA-N 1 1 263.768 3.336 20 30 CGEDMO C#C[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1OC ZINC001460913747 937552543 /nfs/dbraw/zinc/55/25/43/937552543.db2.gz BMYBUBCASVHDHE-CQSZACIVSA-N 1 1 263.768 3.336 20 30 CGEDMO C=C(CC)C[N@H+]1C[C@H](N2CCCC2)C[C@@H]1C(C)C ZINC001460938279 937554178 /nfs/dbraw/zinc/55/41/78/937554178.db2.gz RTUSPPKSWNXEFT-HZPDHXFCSA-N 1 1 250.430 3.147 20 30 CGEDMO C=C(CC)CN1C[C@H]([NH+]2CCCC2)C[C@@H]1C(C)C ZINC001460938279 937554180 /nfs/dbraw/zinc/55/41/80/937554180.db2.gz RTUSPPKSWNXEFT-HZPDHXFCSA-N 1 1 250.430 3.147 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCO[C@H](c2ccccc2)CC1 ZINC001460950754 937555642 /nfs/dbraw/zinc/55/56/42/937555642.db2.gz QVBXCFFPNLYZMZ-HOCLYGCPSA-N 1 1 258.365 3.142 20 30 CGEDMO Cc1cccc2[nH+]cc(Nc3cccc(C#N)c3F)n21 ZINC001216414587 932019836 /nfs/dbraw/zinc/01/98/36/932019836.db2.gz WEEGORRIUFVHRM-UHFFFAOYSA-N 1 1 266.279 3.397 20 30 CGEDMO CC(C)(C)[NH+]1CC(Oc2ccc3nc(C#N)sc3c2)C1 ZINC001226675853 932040654 /nfs/dbraw/zinc/04/06/54/932040654.db2.gz ZBAITCZTOGJJOW-UHFFFAOYSA-N 1 1 287.388 3.029 20 30 CGEDMO C#C[C@H](Oc1ccc2c(c1)CC[N@H+](C)C2)c1ccccc1 ZINC001228936522 932054670 /nfs/dbraw/zinc/05/46/70/932054670.db2.gz JRTPAGDFTOZNKA-IBGZPJMESA-N 1 1 277.367 3.428 20 30 CGEDMO CC#CC[C@H](CC)Oc1ccc2c(c1)CC[N@H+](C)C2 ZINC001228944116 932057631 /nfs/dbraw/zinc/05/76/31/932057631.db2.gz LRLDBSACTWOPDA-INIZCTEOSA-N 1 1 257.377 3.245 20 30 CGEDMO C#CCC1([NH2+]Cc2cc(F)cc(F)c2O)CCCCC1 ZINC001461787503 937597029 /nfs/dbraw/zinc/59/70/29/937597029.db2.gz QTYHKGMLTHYSHI-UHFFFAOYSA-N 1 1 279.330 3.486 20 30 CGEDMO C=CCCC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001230537983 932584833 /nfs/dbraw/zinc/58/48/33/932584833.db2.gz NJHRGASTIKYOTO-KRWDZBQOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC(=O)N1CCC([C@@H]2CCC[N@H+]2CC2CC2)CC1 ZINC001230533900 932584873 /nfs/dbraw/zinc/58/48/73/932584873.db2.gz VVTUWHPODCUPSD-KRWDZBQOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](CC)CCCC ZINC001230845021 932630523 /nfs/dbraw/zinc/63/05/23/932630523.db2.gz UXXXYRCLQIPGIR-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@](CF)(C(F)(F)F)C2)s1 ZINC001232842290 932683226 /nfs/dbraw/zinc/68/32/26/932683226.db2.gz VRENZTZWMWLTGF-LLVKDONJSA-N 1 1 292.301 3.344 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@](CF)(C(F)(F)F)C2)s1 ZINC001232842290 932683231 /nfs/dbraw/zinc/68/32/31/932683231.db2.gz VRENZTZWMWLTGF-LLVKDONJSA-N 1 1 292.301 3.344 20 30 CGEDMO C#CC[N@H+](Cc1cn2ccnc2s1)Cc1ccccc1 ZINC001462214197 937625546 /nfs/dbraw/zinc/62/55/46/937625546.db2.gz GJNAOWCJFGFYAE-UHFFFAOYSA-N 1 1 281.384 3.031 20 30 CGEDMO C#CC[N@@H+](Cc1cn2ccnc2s1)Cc1ccccc1 ZINC001462214197 937625548 /nfs/dbraw/zinc/62/55/48/937625548.db2.gz GJNAOWCJFGFYAE-UHFFFAOYSA-N 1 1 281.384 3.031 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C=C(CC)CC ZINC001317169207 932781385 /nfs/dbraw/zinc/78/13/85/932781385.db2.gz GXLZYJLSZMCIOZ-MRXNPFEDSA-N 1 1 278.440 3.280 20 30 CGEDMO CC#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C)C(CC)CC)C1 ZINC001491933991 932798095 /nfs/dbraw/zinc/79/80/95/932798095.db2.gz GWNDFFVGIHXWOY-WBVHZDCISA-N 1 1 292.467 3.005 20 30 CGEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](CCC)CC(C)C)C1 ZINC001491965330 932799955 /nfs/dbraw/zinc/79/99/55/932799955.db2.gz JWWOSIDQBSFQGD-IRXDYDNUSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]1CCCNC(=O)C1CC(C)C1 ZINC001492150160 932806630 /nfs/dbraw/zinc/80/66/30/932806630.db2.gz VSSMMBZYJUMDFB-OFLPRAFFSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)CC(=O)NCC[N@H+](C)CC1=CCCCC1 ZINC001492262072 932813819 /nfs/dbraw/zinc/81/38/19/932813819.db2.gz LEARSJDUQRHZOP-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)C1CC2(CC2)C1 ZINC001317432672 932869809 /nfs/dbraw/zinc/86/98/09/932869809.db2.gz BCLFVWIHTRZTCB-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C#CC[N@@H+](C[C@H]1CC2(CCC2)CO1)C1CCCCC1 ZINC001307444506 932952822 /nfs/dbraw/zinc/95/28/22/932952822.db2.gz DIYCJCXVYIIHSZ-MRXNPFEDSA-N 1 1 261.409 3.214 20 30 CGEDMO C=CC[C@@H](C)[N@@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC001307468562 932956139 /nfs/dbraw/zinc/95/61/39/932956139.db2.gz AUWBJIBHJFLHDN-DOMZBBRYSA-N 1 1 292.810 3.342 20 30 CGEDMO C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cc1cc(C#N)ccn1 ZINC001307518261 932965864 /nfs/dbraw/zinc/96/58/64/932965864.db2.gz CAVQVLAHQVPEGT-MAUKXSAKSA-N 1 1 291.398 3.406 20 30 CGEDMO C=C(C)C[C@H]([NH2+][C@H]1CCC[C@H](CC)CC1)C(=O)OC ZINC001462506500 937646172 /nfs/dbraw/zinc/64/61/72/937646172.db2.gz PZEGUMNLCMASFW-KKUMJFAQSA-N 1 1 267.413 3.443 20 30 CGEDMO C#CCCCCCC[N@H+]1CCCO[C@@H](C(C)C)C1 ZINC001307794681 933001848 /nfs/dbraw/zinc/00/18/48/933001848.db2.gz QBIFOZBFUCQMTD-MRXNPFEDSA-N 1 1 251.414 3.317 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cccc(OC(C)(C)C)n2)C1 ZINC001307871424 933011466 /nfs/dbraw/zinc/01/14/66/933011466.db2.gz BOASTNRQPCYITN-OAHLLOKOSA-N 1 1 286.419 3.494 20 30 CGEDMO C[N@H+](CCN1CCCc2ccccc21)[C@H]1CCC[C@H]1C#N ZINC001307992027 933030507 /nfs/dbraw/zinc/03/05/07/933030507.db2.gz BNGLKNMHVPEZKD-IRXDYDNUSA-N 1 1 283.419 3.063 20 30 CGEDMO C[N@@H+](CCN1CCCc2ccccc21)[C@H]1CCC[C@H]1C#N ZINC001307992027 933030513 /nfs/dbraw/zinc/03/05/13/933030513.db2.gz BNGLKNMHVPEZKD-IRXDYDNUSA-N 1 1 283.419 3.063 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1C[C@H](O)COc1cc(C)ccc1Cl ZINC001308140939 933056242 /nfs/dbraw/zinc/05/62/42/933056242.db2.gz NOHNDQPTHCPZIW-KBPBESRZSA-N 1 1 295.810 3.039 20 30 CGEDMO CCCC[N@H+]1CCCC[C@@H]1CNCc1csc(C#N)c1 ZINC001308254096 933081521 /nfs/dbraw/zinc/08/15/21/933081521.db2.gz GXVFKGZKIVEKML-OAHLLOKOSA-N 1 1 291.464 3.364 20 30 CGEDMO CCCCN1CCCC[C@@H]1C[NH2+]Cc1csc(C#N)c1 ZINC001308254096 933081528 /nfs/dbraw/zinc/08/15/28/933081528.db2.gz GXVFKGZKIVEKML-OAHLLOKOSA-N 1 1 291.464 3.364 20 30 CGEDMO COc1cc(C[NH2+][C@H](C)CC#N)cc(C(F)(F)F)c1 ZINC001308505275 933121685 /nfs/dbraw/zinc/12/16/85/933121685.db2.gz CUPKLCNHBUXDDX-SECBINFHSA-N 1 1 272.270 3.106 20 30 CGEDMO C#CC[N@@H+](CC#CC)Cc1ccc2c(c1)CCCC2 ZINC001308620574 933145586 /nfs/dbraw/zinc/14/55/86/933145586.db2.gz UHBYXIGAKLGZOM-UHFFFAOYSA-N 1 1 251.373 3.024 20 30 CGEDMO C#CC[N@H+](CC#CC)Cc1ccc2c(c1)CCCC2 ZINC001308620574 933145590 /nfs/dbraw/zinc/14/55/90/933145590.db2.gz UHBYXIGAKLGZOM-UHFFFAOYSA-N 1 1 251.373 3.024 20 30 CGEDMO C#CC[N@@H+](CC)Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC001308632080 933146023 /nfs/dbraw/zinc/14/60/23/933146023.db2.gz UMCNBDVQCIWYPN-UHFFFAOYSA-N 1 1 279.405 3.159 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC001308632080 933146025 /nfs/dbraw/zinc/14/60/25/933146025.db2.gz UMCNBDVQCIWYPN-UHFFFAOYSA-N 1 1 279.405 3.159 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)C[C@@]1(C)CCCCO1 ZINC001308640954 933149754 /nfs/dbraw/zinc/14/97/54/933149754.db2.gz IQOWKRNRXWFBLP-MRXNPFEDSA-N 1 1 263.381 3.269 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001308880389 933196263 /nfs/dbraw/zinc/19/62/63/933196263.db2.gz LVQSHERYUPUJLP-AWEZNQCLSA-N 1 1 272.348 3.057 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)CCC ZINC001317511075 933306819 /nfs/dbraw/zinc/30/68/19/933306819.db2.gz ZKSDAADPMJBNKZ-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC001311953938 933325115 /nfs/dbraw/zinc/32/51/15/933325115.db2.gz VVQKSJIOBKIMSH-OAHLLOKOSA-N 1 1 295.471 3.152 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C2(CC)CCC2)C1 ZINC001316949521 933459443 /nfs/dbraw/zinc/45/94/43/933459443.db2.gz UGTCOIYUXYSPBE-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC2(C)C)C1 ZINC001316984360 933464516 /nfs/dbraw/zinc/46/45/16/933464516.db2.gz JJSYATFHMTWVDK-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)C=C(CC)CC)C1 ZINC001317033247 933466574 /nfs/dbraw/zinc/46/65/74/933466574.db2.gz KSONHWCFMIDCHB-QGZVFWFLSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C=C(C)C)C1 ZINC001317100942 933472225 /nfs/dbraw/zinc/47/22/25/933472225.db2.gz NBJZCCXWJSVPFD-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](CCCC(C)C)[C@@H]1C ZINC001316788704 933480100 /nfs/dbraw/zinc/48/01/00/933480100.db2.gz UUBJEDBNECZBTN-CABCVRRESA-N 1 1 280.456 3.214 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@H](CCCCC)C(C)C)[C@H]1C ZINC001316794656 933483146 /nfs/dbraw/zinc/48/31/46/933483146.db2.gz RNGOABHKNGKIMO-ZACQAIPSSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CCC[N@@H+](CC)CCCNC(=O)c1cccc2cc[nH]c21 ZINC001316903110 933491587 /nfs/dbraw/zinc/49/15/87/933491587.db2.gz NVTNBEXWXGMTHM-UHFFFAOYSA-N 1 1 299.418 3.186 20 30 CGEDMO C=CC[N@@H+](CC)CCCNC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001316904154 933493174 /nfs/dbraw/zinc/49/31/74/933493174.db2.gz JDWTUYGRRYUGAN-QAQDUYKDSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[N@@H+](CCCNC(=O)C[C@@H]1CC=CCC1)C1CC1 ZINC001316923047 933495611 /nfs/dbraw/zinc/49/56/11/933495611.db2.gz YMEVPZOGSASKBL-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CCC)CC(C)C)C1 ZINC001316953462 933502789 /nfs/dbraw/zinc/50/27/89/933502789.db2.gz MCBLXKTYXQEXGV-JKSUJKDBSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)CCC ZINC001317041037 933518240 /nfs/dbraw/zinc/51/82/40/933518240.db2.gz SQGSBVGOUZHLAT-YESZJQIVSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C)CC)C1 ZINC001317036992 933519317 /nfs/dbraw/zinc/51/93/17/933519317.db2.gz ZMUFZGPNFGOSHG-HOTGVXAUSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](C)CC)C1 ZINC001317036993 933519333 /nfs/dbraw/zinc/51/93/33/933519333.db2.gz ZMUFZGPNFGOSHG-HZPDHXFCSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H](C[N@H+](C)C[C@@H](F)CC)C1 ZINC001317037471 933519919 /nfs/dbraw/zinc/51/99/19/933519919.db2.gz SYCGRJAIXHJZOA-CVEARBPZSA-N 1 1 298.446 3.261 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H](CNC(=O)CC2CCCC2)C1 ZINC001317134404 933536479 /nfs/dbraw/zinc/53/64/79/933536479.db2.gz WGUOSNQRIVJHML-QGZVFWFLSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](CNC(=O)C2(C)CC(=C)C2)C1 ZINC001317135805 933541138 /nfs/dbraw/zinc/54/11/38/933541138.db2.gz RHWXWYOGASTCOQ-MRXNPFEDSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCCCC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CC(=C)C)C1 ZINC001317209237 933554688 /nfs/dbraw/zinc/55/46/88/933554688.db2.gz ODVGEVJDZRNJNK-JKSUJKDBSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@H+](C)CCNC(=O)C[C@@H](CC)c1ccccc1 ZINC001317467440 933600592 /nfs/dbraw/zinc/60/05/92/933600592.db2.gz SFKRUTLGIADUMQ-MRXNPFEDSA-N 1 1 288.435 3.194 20 30 CGEDMO CC#CC[N@@H+](CC)CCNC(=O)C[C@@H]1CCCCC1(C)C ZINC001317491374 933602249 /nfs/dbraw/zinc/60/22/49/933602249.db2.gz IIHOOBIWBUZNAN-INIZCTEOSA-N 1 1 292.467 3.054 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H]1CC[N@H+](CC/C=C\CC)C1 ZINC001317520400 933610909 /nfs/dbraw/zinc/61/09/09/933610909.db2.gz MLPHHPASQQMTGX-OGZRUICASA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)[C@@H](C)C(C)(C)C)C(C)C ZINC001317695055 933633550 /nfs/dbraw/zinc/63/35/50/933633550.db2.gz YXHFNZRHUBKMCK-OAHLLOKOSA-N 1 1 282.472 3.461 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H](C)CCCC)C1 ZINC001317755587 933644306 /nfs/dbraw/zinc/64/43/06/933644306.db2.gz XNOXLJAEYUEJSO-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001317847988 933657313 /nfs/dbraw/zinc/65/73/13/933657313.db2.gz JXRZGOAQUXZSPX-CVEARBPZSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@H]1CCN(C(=O)/C(C)=C/CC)C1 ZINC001317830049 933657604 /nfs/dbraw/zinc/65/76/04/933657604.db2.gz FNHSUHRACYTGFG-TUTJWUKCSA-N 1 1 292.467 3.478 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)CCCC[C@@H](C)CC)C1 ZINC001317933632 933667765 /nfs/dbraw/zinc/66/77/65/933667765.db2.gz DNCPTOWCIPTXAE-DLBZAZTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)CC2CCCCC2)C1 ZINC001317949170 933668090 /nfs/dbraw/zinc/66/80/90/933668090.db2.gz CSQXWLAKEPDUCY-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)C2(F)CCCC2)C1 ZINC001317975724 933672471 /nfs/dbraw/zinc/67/24/71/933672471.db2.gz QOPJUNDYARLNSR-GJZGRUSLSA-N 1 1 296.430 3.204 20 30 CGEDMO C=CC1(CC(=O)N[C@H](C)C[N@H+](C)C(C)C)CCCCC1 ZINC001467818295 937722595 /nfs/dbraw/zinc/72/25/95/937722595.db2.gz PILGZYANZIUEIF-OAHLLOKOSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)NC[C@@H]1CC[N@H+](CCC)C1 ZINC001468247492 937726098 /nfs/dbraw/zinc/72/60/98/937726098.db2.gz GAIHSQBDSCBFLG-HNNXBMFYSA-N 1 1 295.471 3.010 20 30 CGEDMO C#CC[N@H+](C)CCC1CCN(C(=O)[C@@H](C)CCCC)CC1 ZINC001319876044 933949221 /nfs/dbraw/zinc/94/92/21/933949221.db2.gz DURAMUJPRAXRPK-INIZCTEOSA-N 1 1 292.467 3.006 20 30 CGEDMO CCN1CCC[C@@H](C[NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC001319925409 933958761 /nfs/dbraw/zinc/95/87/61/933958761.db2.gz MJVWCPKIUIRUPD-LPHOPBHVSA-N 1 1 297.446 3.257 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)[C@H](C)C1CCCC1 ZINC001320068109 933991903 /nfs/dbraw/zinc/99/19/03/933991903.db2.gz GIMIUHZZHHPIME-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C#CC[N@@H+](Cc1coc(-c2ccc(F)cc2)n1)CC1CC1 ZINC001320135340 934006747 /nfs/dbraw/zinc/00/67/47/934006747.db2.gz NEWYIJCNNABXNR-UHFFFAOYSA-N 1 1 284.334 3.326 20 30 CGEDMO C#CC[N@H+](Cc1coc(-c2ccc(F)cc2)n1)CC1CC1 ZINC001320135340 934006753 /nfs/dbraw/zinc/00/67/53/934006753.db2.gz NEWYIJCNNABXNR-UHFFFAOYSA-N 1 1 284.334 3.326 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](CCCOc2c(C)cccc2C)C1 ZINC001320325539 934032399 /nfs/dbraw/zinc/03/23/99/934032399.db2.gz RZORIIGRVLBHTK-QGZVFWFLSA-N 1 1 289.419 3.349 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC001320378759 934039124 /nfs/dbraw/zinc/03/91/24/934039124.db2.gz YJGNLJFKBOFCRG-INIZCTEOSA-N 1 1 286.350 3.151 20 30 CGEDMO C=C(C)CCC(=O)N(CC)CC[NH2+]C/C(Cl)=C\Cl ZINC001320746773 934097873 /nfs/dbraw/zinc/09/78/73/934097873.db2.gz UECFQIGPBLRVLU-FMIVXFBMSA-N 1 1 293.238 3.100 20 30 CGEDMO CCC[N@H+]1CCCC[C@H]1C(=O)OCCCC(C)(C)C#N ZINC001320906087 934121978 /nfs/dbraw/zinc/12/19/78/934121978.db2.gz RILAAWBHYCTWPK-AWEZNQCLSA-N 1 1 280.412 3.124 20 30 CGEDMO C=CC[N@H+](C)C[C@@H](C)NC(=O)C[C@H](C)CC(C)(C)C ZINC001322248133 934264019 /nfs/dbraw/zinc/26/40/19/934264019.db2.gz IYZXTXDJTXWVLF-UONOGXRCSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(-c2cnn(C)c2)cc1 ZINC001322416582 934295822 /nfs/dbraw/zinc/29/58/22/934295822.db2.gz LSKKDMNWRAXFJU-UHFFFAOYSA-N 1 1 255.365 3.095 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(Nc2ccccc2)CC1 ZINC001322857294 934340813 /nfs/dbraw/zinc/34/08/13/934340813.db2.gz OBSLIDGTYYSSGD-UHFFFAOYSA-N 1 1 250.773 3.315 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCCF)C1 ZINC001323641978 934414273 /nfs/dbraw/zinc/41/42/73/934414273.db2.gz MDXQQLUZGQDXAQ-HZPDHXFCSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC001323731473 934421673 /nfs/dbraw/zinc/42/16/73/934421673.db2.gz WCVHOEXLVRSVCS-ZBFHGGJFSA-N 1 1 261.340 3.090 20 30 CGEDMO C=C1CCC(CNC(=O)C[N@H+](C)CCCCCC)CC1 ZINC001471754615 937769031 /nfs/dbraw/zinc/76/90/31/937769031.db2.gz AZNGMMGANPTBAX-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO CCCC[C@@H](ON=C(C)C)C(=O)Nc1cc(C)[nH+]c(C)c1 ZINC001323846966 934431585 /nfs/dbraw/zinc/43/15/85/934431585.db2.gz NCKJKOFSCVKDHS-OAHLLOKOSA-N 1 1 291.395 3.030 20 30 CGEDMO C=CCCCC(=O)N(C)C1C[NH+]([C@H]2CCc3ccccc32)C1 ZINC001323970013 934444200 /nfs/dbraw/zinc/44/42/00/934444200.db2.gz MLQHWSMKMUUZOI-SFHVURJKSA-N 1 1 298.430 3.173 20 30 CGEDMO C=C[C@H](COC)[NH2+]Cc1cc(Cl)c(OC)cc1Cl ZINC001324015747 934450305 /nfs/dbraw/zinc/45/03/05/934450305.db2.gz PPPOGZQRFDXBNK-SNVBAGLBSA-N 1 1 290.190 3.293 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@](C)(NC(=O)C[C@H]2C=CCCC2)C1 ZINC001324630296 934536158 /nfs/dbraw/zinc/53/61/58/934536158.db2.gz VLRIOELHZHAURU-WMZOPIPTSA-N 1 1 290.451 3.280 20 30 CGEDMO C#CCOc1ccc(C[N@H+](C)[C@@H]2CC[C@@H](SC)C2)cc1 ZINC001324752016 934561932 /nfs/dbraw/zinc/56/19/32/934561932.db2.gz NTSNTQSTBHWEPZ-NVXWUHKLSA-N 1 1 289.444 3.415 20 30 CGEDMO COc1ccc(C[C@@H]2CC[N@H+]2Cc2ccc(C#N)cc2)cc1 ZINC001473218867 937798312 /nfs/dbraw/zinc/79/83/12/937798312.db2.gz NCHGZMKXYLKTLW-SFHVURJKSA-N 1 1 292.382 3.384 20 30 CGEDMO CCCCCCCCC[N@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC001473147143 937794431 /nfs/dbraw/zinc/79/44/31/937794431.db2.gz BHCZHYVLSVDIFS-HUUCEWRRSA-N 1 1 268.445 3.323 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC2(C)C)C1 ZINC001324958442 934877172 /nfs/dbraw/zinc/87/71/72/934877172.db2.gz SXLHFFKKCXQEMT-MAUKXSAKSA-N 1 1 292.467 3.217 20 30 CGEDMO CC#CC[N@@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC001473523125 937809771 /nfs/dbraw/zinc/80/97/71/937809771.db2.gz GTICCZQGMZJTQQ-LBPRGKRZSA-N 1 1 280.774 3.013 20 30 CGEDMO CC#CC[N@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC001473523125 937809772 /nfs/dbraw/zinc/80/97/72/937809772.db2.gz GTICCZQGMZJTQQ-LBPRGKRZSA-N 1 1 280.774 3.013 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC1(C)C ZINC001325883046 934936873 /nfs/dbraw/zinc/93/68/73/934936873.db2.gz QJOBRDNWISRAFQ-BZUAXINKSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2c(F)cc(C)cc2F)C1 ZINC001325884802 934937123 /nfs/dbraw/zinc/93/71/23/934937123.db2.gz NTFSPUVYSANNJO-LBPRGKRZSA-N 1 1 267.319 3.050 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2c(F)cc(C)cc2F)C1 ZINC001325884802 934937125 /nfs/dbraw/zinc/93/71/25/934937125.db2.gz NTFSPUVYSANNJO-LBPRGKRZSA-N 1 1 267.319 3.050 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)CCCC ZINC001325899421 934937893 /nfs/dbraw/zinc/93/78/93/934937893.db2.gz LTPINMBYJQMAOH-IXDOHACOSA-N 1 1 292.467 3.454 20 30 CGEDMO C#CCOCC[N@@H+]1CCC[C@]1(CC)Cc1ccccc1 ZINC001473631417 937815020 /nfs/dbraw/zinc/81/50/20/937815020.db2.gz SKLVGPMSSCEQBO-GOSISDBHSA-N 1 1 271.404 3.124 20 30 CGEDMO C=CCC[N@@H+]1CCN(Cc2ccccc2)C[C@@H]1C(C)C ZINC001473659695 937815872 /nfs/dbraw/zinc/81/58/72/937815872.db2.gz OWXUJAMZBYVIPQ-GOSISDBHSA-N 1 1 272.436 3.405 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2CCCCC)C1=O ZINC001473663145 937816410 /nfs/dbraw/zinc/81/64/10/937816410.db2.gz PFJWZFXSDOWVQW-HOTGVXAUSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)C(C)(C)C)CC1 ZINC001327131953 935034587 /nfs/dbraw/zinc/03/45/87/935034587.db2.gz WDOWPMSMAVYWJQ-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)/C=C(/C)C2CC2)CC1 ZINC001327100031 935029562 /nfs/dbraw/zinc/02/95/62/935029562.db2.gz QRVYTMNLZYPSMT-XUZQSEFNSA-N 1 1 290.451 3.280 20 30 CGEDMO CC#CC[N@@H+](C)CCCN(C)C(=O)CCCCC(C)(C)C ZINC001327212041 935045123 /nfs/dbraw/zinc/04/51/23/935045123.db2.gz AJFRPLGLFIYJGW-UHFFFAOYSA-N 1 1 294.483 3.397 20 30 CGEDMO C=CC[N@H+](C)CCCN(C)C(=O)c1cccc(F)c1Cl ZINC001327265794 935050170 /nfs/dbraw/zinc/05/01/70/935050170.db2.gz VMUOYOGVEQHDBC-UHFFFAOYSA-N 1 1 298.789 3.059 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)CC2CC2)C(C)(C)C1 ZINC001328060676 935113772 /nfs/dbraw/zinc/11/37/72/935113772.db2.gz MBCQILVAXZWDHX-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)CCCC#CC)C[C@@H]1C ZINC001328268862 935126812 /nfs/dbraw/zinc/12/68/12/935126812.db2.gz VSQKBYGTTHAYLE-DLBZAZTESA-N 1 1 290.451 3.115 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@H+](CC(C)C)[C@@H](C)C1 ZINC001328253636 935126828 /nfs/dbraw/zinc/12/68/28/935126828.db2.gz BWUWRMZGDVGVJQ-DOTOQJQBSA-N 1 1 292.467 3.380 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)CC1=CCCCC1 ZINC001328706876 935161681 /nfs/dbraw/zinc/16/16/81/935161681.db2.gz HGIORDYUIQNLJF-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]1C[N@H+](C)Cc1ccccc1 ZINC001328707355 935162006 /nfs/dbraw/zinc/16/20/06/935162006.db2.gz PJQNEQBZTIPMPW-KRWDZBQOSA-N 1 1 286.419 3.076 20 30 CGEDMO C=CCCC(=O)NC[C@@H](C)[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC001329397184 935211705 /nfs/dbraw/zinc/21/17/05/935211705.db2.gz OGIUXFKQXXDCGM-KGLIPLIRSA-N 1 1 292.398 3.289 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)c1cccc(C)c1F ZINC001329442873 935216758 /nfs/dbraw/zinc/21/67/58/935216758.db2.gz UVKNBIHIBYBFHI-CQSZACIVSA-N 1 1 292.398 3.150 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)C[C@H]1CC=CCC1 ZINC001329524900 935224438 /nfs/dbraw/zinc/22/44/38/935224438.db2.gz UGQMLDOZGHQZCJ-HOTGVXAUSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)c1sccc1CC ZINC001329625517 935235094 /nfs/dbraw/zinc/23/50/94/935235094.db2.gz WKFDHFFVDCFFRB-CYBMUJFWSA-N 1 1 294.464 3.327 20 30 CGEDMO CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)C#CC(C)(C)C ZINC001329922215 935255056 /nfs/dbraw/zinc/25/50/56/935255056.db2.gz AQUYWNMAXNUISW-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)C(=C)C ZINC001329937100 935256172 /nfs/dbraw/zinc/25/61/72/935256172.db2.gz LFEYAIMCWUSTEB-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCC2(C)C)C(C)(C)C1 ZINC001330222544 935277487 /nfs/dbraw/zinc/27/74/87/935277487.db2.gz OUPFQJCBTSVKAC-CABCVRRESA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)/C(C)=C/C)C[C@@H]2C1 ZINC001330459150 935289349 /nfs/dbraw/zinc/28/93/49/935289349.db2.gz ZZACDBXASVIFJY-KZXAMELUSA-N 1 1 290.451 3.136 20 30 CGEDMO CC(=O)c1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC001330564726 935297025 /nfs/dbraw/zinc/29/70/25/935297025.db2.gz HVXHZXMNRMHNOX-AWEZNQCLSA-N 1 1 256.349 3.015 20 30 CGEDMO CS[C@@H]1CC[C@H]([N@@H+](C)Cc2cccc(F)c2C#N)C1 ZINC001330600743 935301341 /nfs/dbraw/zinc/30/13/41/935301341.db2.gz MEICOMCFZAUDCX-QWHCGFSZSA-N 1 1 278.396 3.413 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC001331335039 935370519 /nfs/dbraw/zinc/37/05/19/935370519.db2.gz SAIKHJLCYDTEDR-OAHLLOKOSA-N 1 1 262.397 3.127 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)[C@H]1CCC1(C)C)C(C)C ZINC001332722113 935484464 /nfs/dbraw/zinc/48/44/64/935484464.db2.gz FQYFQQPBKVWEBQ-OAHLLOKOSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cnc(OC)c3ccccc23)C1 ZINC001333021483 935505214 /nfs/dbraw/zinc/50/52/14/935505214.db2.gz GEQXOUGFMPYFHB-HNNXBMFYSA-N 1 1 298.386 3.020 20 30 CGEDMO N#Cc1cncc(C[NH2+]C2(c3ccc(F)cc3F)CCC2)c1 ZINC001333174686 935516229 /nfs/dbraw/zinc/51/62/29/935516229.db2.gz LDMPPSNCUAEFES-UHFFFAOYSA-N 1 1 299.324 3.400 20 30 CGEDMO CCn1ccc(C[N@@H+](C)CC2CCC(C#N)CC2)c1 ZINC001333463152 935538344 /nfs/dbraw/zinc/53/83/44/935538344.db2.gz VEFWCHCCWKXBRH-UHFFFAOYSA-N 1 1 259.397 3.270 20 30 CGEDMO C=CC[N@H+](C)C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001334219002 936091824 /nfs/dbraw/zinc/09/18/24/936091824.db2.gz WSLVORZASIKDKB-INIZCTEOSA-N 1 1 282.428 3.141 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cccc(OCC(C)C)c2)C1 ZINC001336757509 936214699 /nfs/dbraw/zinc/21/46/99/936214699.db2.gz VFKBVURMVMXRNF-GOSISDBHSA-N 1 1 289.419 3.498 20 30 CGEDMO C=CCO[C@H]1CC[N@H+]([C@@H](C)CCc2cccc(F)c2)C1 ZINC001337728939 936283942 /nfs/dbraw/zinc/28/39/42/936283942.db2.gz ZYZFMGUXNHVYPB-YOEHRIQHSA-N 1 1 277.383 3.424 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccc(Cl)c(C)c2)C1 ZINC001337727790 936284190 /nfs/dbraw/zinc/28/41/90/936284190.db2.gz IBWAYQOLSGQXRP-AWEZNQCLSA-N 1 1 265.784 3.425 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1C[C@H]2CSC[C@@]2(C)C1 ZINC001473862592 937825428 /nfs/dbraw/zinc/82/54/28/937825428.db2.gz HFUUNRQEWAVFNI-DOTOQJQBSA-N 1 1 286.444 3.360 20 30 CGEDMO C=CCCC[N@H+](CC)[C@@H](CC(C)C)C(=O)OCC ZINC001473861785 937825654 /nfs/dbraw/zinc/82/56/54/937825654.db2.gz LDEPVXRBZGWVCO-AWEZNQCLSA-N 1 1 255.402 3.252 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]2CC[C@@]21CNC(=O)OC(C)(C)C ZINC001473864706 937825797 /nfs/dbraw/zinc/82/57/97/937825797.db2.gz CAXAXLBAIMWEEN-RHSMWYFYSA-N 1 1 294.439 3.332 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CC[C@]21CNC(=O)OC(C)(C)C ZINC001473864708 937825804 /nfs/dbraw/zinc/82/58/04/937825804.db2.gz CAXAXLBAIMWEEN-YOEHRIQHSA-N 1 1 294.439 3.332 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC001473865355 937825961 /nfs/dbraw/zinc/82/59/61/937825961.db2.gz PWBPOKKHMORRMO-CQSZACIVSA-N 1 1 288.782 3.071 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC001473865355 937825963 /nfs/dbraw/zinc/82/59/63/937825963.db2.gz PWBPOKKHMORRMO-CQSZACIVSA-N 1 1 288.782 3.071 20 30 CGEDMO C#C[C@H]1CCCC[N@H+]1Cc1ccc(SC)c(OC)c1 ZINC001473868134 937826381 /nfs/dbraw/zinc/82/63/81/937826381.db2.gz JCPBMLOCYUGJKG-AWEZNQCLSA-N 1 1 275.417 3.405 20 30 CGEDMO C#C[C@H]1CCCC[N@@H+]1Cc1ccc(SC)c(OC)c1 ZINC001473868134 937826383 /nfs/dbraw/zinc/82/63/83/937826383.db2.gz JCPBMLOCYUGJKG-AWEZNQCLSA-N 1 1 275.417 3.405 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc(C(F)F)c(F)c2)CCOCC1 ZINC001474296773 937848806 /nfs/dbraw/zinc/84/88/06/937848806.db2.gz RHDQNTGKVUZRKL-UHFFFAOYSA-N 1 1 298.308 3.173 20 30 CGEDMO C#CC[N@H+](Cc1ccc(O)c(F)c1F)C1CCCCC1 ZINC001474339387 937852901 /nfs/dbraw/zinc/85/29/01/937852901.db2.gz IYRZDHRIRJADIE-UHFFFAOYSA-N 1 1 279.330 3.438 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2ccc3scnc3c2)C1 ZINC001474389245 937856464 /nfs/dbraw/zinc/85/64/64/937856464.db2.gz KRZMFNZULKMRKB-CYBMUJFWSA-N 1 1 274.389 3.073 20 30 CGEDMO C#Cc1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)cc1 ZINC001474532841 937865172 /nfs/dbraw/zinc/86/51/72/937865172.db2.gz ROJUXAJFMQQUIJ-UHFFFAOYSA-N 1 1 289.737 3.456 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CC2(CCCOC)CCC2)C1 ZINC001474647352 937872815 /nfs/dbraw/zinc/87/28/15/937872815.db2.gz NXSFHMFGRGEMAP-OAHLLOKOSA-N 1 1 251.414 3.481 20 30 CGEDMO CC#CC[N@@H+](C)Cc1cccc(Oc2ccccn2)c1 ZINC001474734376 937877966 /nfs/dbraw/zinc/87/79/66/937877966.db2.gz STCDITVGGWXASO-UHFFFAOYSA-N 1 1 266.344 3.329 20 30 CGEDMO C=CCCCCCCCNC(=O)N1CC[N@H+](C)C[C@@H]1CC ZINC001478773866 937910441 /nfs/dbraw/zinc/91/04/41/937910441.db2.gz OCYIZONMYKOGDU-INIZCTEOSA-N 1 1 295.471 3.249 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(CCC)CC1 ZINC001479245695 937918177 /nfs/dbraw/zinc/91/81/77/937918177.db2.gz PLWKVXIERMMRDM-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@](C)(F)CCCC)[C@H]1C ZINC001479711766 937924044 /nfs/dbraw/zinc/92/40/44/937924044.db2.gz ZPOYDCORUZIUGN-YCPHGPKFSA-N 1 1 284.419 3.060 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)C(C)(C)F)[C@H]1C ZINC001479696103 937924215 /nfs/dbraw/zinc/92/42/15/937924215.db2.gz XQZASIPCUNAIQO-KGLIPLIRSA-N 1 1 286.435 3.284 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC23CC3)[C@H]1C ZINC001479709989 937924352 /nfs/dbraw/zinc/92/43/52/937924352.db2.gz UTLPGWHGLUUYHW-PMPSAXMXSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC1(C)C ZINC001479733774 937924558 /nfs/dbraw/zinc/92/45/58/937924558.db2.gz DHKXNXJBDVPMRI-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)/C(C)=C\CC ZINC001479733181 937924641 /nfs/dbraw/zinc/92/46/41/937924641.db2.gz IZIOWFGENVAWSA-TYWAAFNRSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C(C)C[N@@H+](C)CCCNC(=O)c1ccc(Cl)cc1C ZINC001479793212 937925742 /nfs/dbraw/zinc/92/57/42/937925742.db2.gz GDALFXYQNSEUQJ-UHFFFAOYSA-N 1 1 294.826 3.276 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)c1ccc(Cl)cc1)C1CC1 ZINC001479879950 937927957 /nfs/dbraw/zinc/92/79/57/937927957.db2.gz OWACGMGSYUSOQE-UHFFFAOYSA-N 1 1 292.810 3.110 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C/C=C\c2ccc(C)cc2)C1 ZINC001479974364 937930271 /nfs/dbraw/zinc/93/02/71/937930271.db2.gz VDLFQVAZFSYKTM-OOFWQKGWSA-N 1 1 298.430 3.165 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C/C=C/c2ccc(C)cc2)C1 ZINC001479974363 937930424 /nfs/dbraw/zinc/93/04/24/937930424.db2.gz VDLFQVAZFSYKTM-DUMMIQTOSA-N 1 1 298.430 3.165 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)CC2CCCC2)C1 ZINC001480072537 937931957 /nfs/dbraw/zinc/93/19/57/937931957.db2.gz QRBWAUCVUAEUJV-QGZVFWFLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCCCC)C1 ZINC001480184313 937933454 /nfs/dbraw/zinc/93/34/54/937933454.db2.gz MQAHCVHMZUVMNT-IRXDYDNUSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)C[C@H](C)CC(C)C)C1 ZINC001480268315 937935639 /nfs/dbraw/zinc/93/56/39/937935639.db2.gz XUAKJSURCAXVDV-IAGOWNOFSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1(C)CCCCC1 ZINC001480325760 937936504 /nfs/dbraw/zinc/93/65/04/937936504.db2.gz YZJKVEJHGRDQDH-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO CC#CCCCC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001480383008 937937858 /nfs/dbraw/zinc/93/78/58/937937858.db2.gz NSRFEESPTZMEHQ-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC1(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C(C)C)C2)CCC1 ZINC001480385547 937938035 /nfs/dbraw/zinc/93/80/35/937938035.db2.gz ZVCGGEQWHKEZBJ-JKSUJKDBSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)C2(CCC)CC2)C1 ZINC001480734272 937943222 /nfs/dbraw/zinc/94/32/22/937943222.db2.gz BTYMGMPTUVCPCZ-AWEZNQCLSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)C2(CCC)CC2)C1 ZINC001480734272 937943223 /nfs/dbraw/zinc/94/32/23/937943223.db2.gz BTYMGMPTUVCPCZ-AWEZNQCLSA-N 1 1 298.858 3.242 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](CNC(=O)CC(C)(C)C=C)C1 ZINC001493206997 937948363 /nfs/dbraw/zinc/94/83/63/937948363.db2.gz NKXJPWLTCKSLRD-JKSUJKDBSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)C(F)=C2CCCC2)C1 ZINC001493193825 937948384 /nfs/dbraw/zinc/94/83/84/937948384.db2.gz SSWFITIUVBRVMR-CQSZACIVSA-N 1 1 294.414 3.188 20 30 CGEDMO C=CC[N@H+](CCNC(=O)c1cc2cc(C)ccc2o1)C1CC1 ZINC001493449166 937950418 /nfs/dbraw/zinc/95/04/18/937950418.db2.gz ILUVAFFGCVYNIE-UHFFFAOYSA-N 1 1 298.386 3.121 20 30 CGEDMO C#CCC[N@H+](CCCNC(=O)[C@@]1(C)CCC[C@H]1C)C(C)C ZINC001493871777 937951644 /nfs/dbraw/zinc/95/16/44/937951644.db2.gz YAVWCUUANAYITR-AEFFLSMTSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CCC)C(=O)CCCF)C1 ZINC001493960664 937952531 /nfs/dbraw/zinc/95/25/31/937952531.db2.gz KYRGHNFEWCDHLS-HNNXBMFYSA-N 1 1 284.419 3.015 20 30 CGEDMO C=C/C(C)=C/CC(=O)NCC[C@@H]1CC[N@@H+](CC(=C)Cl)C1 ZINC001494047370 937953050 /nfs/dbraw/zinc/95/30/50/937953050.db2.gz FPURXSXHKAMFRB-DTHCKZEYSA-N 1 1 296.842 3.090 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC2(C)C)C1 ZINC001494155433 937953779 /nfs/dbraw/zinc/95/37/79/937953779.db2.gz SSXSUCWJWKDAFP-HZPDHXFCSA-N 1 1 292.467 3.169 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001494327019 937954272 /nfs/dbraw/zinc/95/42/72/937954272.db2.gz MSOADWBSPOFKMR-CVEARBPZSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CCC[N@H+](CC=C(C)C)C1 ZINC001494322964 937954394 /nfs/dbraw/zinc/95/43/94/937954394.db2.gz ZCVUPSQEUVJNHB-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1CC[N@H+](CC(CC)CC)C1 ZINC001494767523 937956209 /nfs/dbraw/zinc/95/62/09/937956209.db2.gz RAOVNYKTKSZNNV-GOEBONIOSA-N 1 1 280.456 3.215 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H](C)C#N)C1 ZINC001494890865 937956827 /nfs/dbraw/zinc/95/68/27/937956827.db2.gz VAUFQNAPEICAIW-HOTGVXAUSA-N 1 1 293.455 3.039 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)CC2CCCCCC2)C1 ZINC001494913042 937957318 /nfs/dbraw/zinc/95/73/18/937957318.db2.gz KOAIPDTVYDHGHR-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@H+](C)CCN(C)C(=O)c1ccc(CCCC)cc1 ZINC001496746762 937963935 /nfs/dbraw/zinc/96/39/35/937963935.db2.gz REQSOTAHXQAMNO-UHFFFAOYSA-N 1 1 288.435 3.219 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)C1=CCCCCC1 ZINC001498284749 937968779 /nfs/dbraw/zinc/96/87/79/937968779.db2.gz BATDPFNJKJUIEH-HNNXBMFYSA-N 1 1 278.440 3.280 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)c1ccsc1C ZINC001498275109 937969061 /nfs/dbraw/zinc/96/90/61/937969061.db2.gz AURFXPUWUSGRNZ-GFCCVEGCSA-N 1 1 280.437 3.073 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)C1CCC(C)(C)CC1 ZINC001498464562 937969707 /nfs/dbraw/zinc/96/97/07/937969707.db2.gz IQUFSSZZVYZDAH-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)C1(CC)CCCCC1 ZINC001498455145 937969762 /nfs/dbraw/zinc/96/97/62/937969762.db2.gz FFMISRIFADGERM-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@]2(C1)CCCCN(C(C)=O)C2 ZINC001500154496 937976169 /nfs/dbraw/zinc/97/61/69/937976169.db2.gz KDJSGZZPCKWUCQ-WBVHZDCISA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(CC)CC)CC1 ZINC001502147338 937981562 /nfs/dbraw/zinc/98/15/62/937981562.db2.gz HHVHDAJTZDRPAY-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)[C@H]1CC[C@H](C)C1 ZINC001502380085 937982116 /nfs/dbraw/zinc/98/21/16/937982116.db2.gz BFSCYBLNDWLIBS-HOTGVXAUSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)/C(C)=C\CC)C[C@@H]1C ZINC001502905384 937983605 /nfs/dbraw/zinc/98/36/05/937983605.db2.gz ASNVQFAHXHFILS-RPZAIAHZSA-N 1 1 278.440 3.278 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)C(CCC)CCC)C[C@H]1C ZINC001502969960 937983884 /nfs/dbraw/zinc/98/38/84/937983884.db2.gz QFXFQCVGWAUESR-WBVHZDCISA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)CC1CCCC1 ZINC001505419757 937985201 /nfs/dbraw/zinc/98/52/01/937985201.db2.gz VKNXGRHKLCCMSA-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](CC)CC(C)C ZINC001505452610 937985690 /nfs/dbraw/zinc/98/56/90/937985690.db2.gz KOTRGWGHIKQOKD-IRXDYDNUSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1ccccc1C ZINC001505860900 937987434 /nfs/dbraw/zinc/98/74/34/937987434.db2.gz DKGYBYKNRDWNBD-HOTGVXAUSA-N 1 1 288.435 3.400 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)c1c(C)cc(F)cc1C ZINC001505976855 937988432 /nfs/dbraw/zinc/98/84/32/937988432.db2.gz UAOZHVLVYVORLA-AWEZNQCLSA-N 1 1 292.398 3.069 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)c1cccc2[nH]ccc21 ZINC001506005784 937988659 /nfs/dbraw/zinc/98/86/59/937988659.db2.gz IJUGLORBLNSZRT-AWEZNQCLSA-N 1 1 299.418 3.184 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)C[C@H](C=C)CC)C(C)(C)C1 ZINC001506749914 937991977 /nfs/dbraw/zinc/99/19/77/937991977.db2.gz VJUVIJOIYJUMJT-HZPDHXFCSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCC[N@@H+]1CCCC2(CN(C(=O)CCCCC)C2)C1 ZINC001506857708 937992181 /nfs/dbraw/zinc/99/21/81/937992181.db2.gz HEELIIHBQSMREB-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C#CCCCCC(=O)N1CCC([N@H+](C)CCCCC)CC1 ZINC001506956818 937993215 /nfs/dbraw/zinc/99/32/15/937993215.db2.gz VMSVCGPNPGJEBT-UHFFFAOYSA-N 1 1 292.467 3.293 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)C[C@@H]1CC[C@H]2C[C@H]21)C(C)C ZINC001507812980 937996833 /nfs/dbraw/zinc/99/68/33/937996833.db2.gz JJTUEGQHQWUHOF-YESZJQIVSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[C@@H](C)OC(=O)c1cnn(-c2cc[nH+]cc2)c1C ZINC001515492692 938006325 /nfs/dbraw/zinc/00/63/25/938006325.db2.gz BLCCTJDRUBHCGC-CYBMUJFWSA-N 1 1 299.374 3.477 20 30 CGEDMO C=CCCCCCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001525487859 938049716 /nfs/dbraw/zinc/04/97/16/938049716.db2.gz NSHNIWOOWLQDTK-OAHLLOKOSA-N 1 1 266.429 3.112 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)c1cc(C)c(CC)s1 ZINC001556466035 938203873 /nfs/dbraw/zinc/20/38/73/938203873.db2.gz HEGBLLQIOOFRJO-UHFFFAOYSA-N 1 1 294.464 3.199 20 30 CGEDMO C=CCC[C@H]1CCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001558672730 938217079 /nfs/dbraw/zinc/21/70/79/938217079.db2.gz WVRNEBKKRQCXOF-KRWDZBQOSA-N 1 1 286.419 3.076 20 30 CGEDMO C=CCC[C@H]1CCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001558672730 938217080 /nfs/dbraw/zinc/21/70/80/938217080.db2.gz WVRNEBKKRQCXOF-KRWDZBQOSA-N 1 1 286.419 3.076 20 30 CGEDMO Cc1cc(NC(C)(C)Cc2ccc(C#N)cc2)nc(C)[nH+]1 ZINC001559284804 938224532 /nfs/dbraw/zinc/22/45/32/938224532.db2.gz QRUCXYGZGPZQKR-UHFFFAOYSA-N 1 1 280.375 3.398 20 30 CGEDMO C#CC[N@H+](C[C@H]1CC(C)(C)CO1)[C@H]1CCc2ccccc21 ZINC001559499440 938227687 /nfs/dbraw/zinc/22/76/87/938227687.db2.gz UITPGBTWJJMBDD-AEFFLSMTSA-N 1 1 283.415 3.424 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+](CCO)[C@H](C)c1ccccc1 ZINC001559663821 938232373 /nfs/dbraw/zinc/23/23/73/938232373.db2.gz OAPPSINUDKUSQU-MRXNPFEDSA-N 1 1 294.398 3.422 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC001559865203 938237642 /nfs/dbraw/zinc/23/76/42/938237642.db2.gz ILUTXIPPMPOPLI-PWSUYJOCSA-N 1 1 265.319 3.383 20 30 CGEDMO C=CCCCC[N@H+]1CCNC(=O)[C@H]1CC1CCCCC1 ZINC001559919277 938239112 /nfs/dbraw/zinc/23/91/12/938239112.db2.gz DLSIHNGZPJKXPX-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CCC[C@H](C2CCCCC2)C1 ZINC001560024355 938241846 /nfs/dbraw/zinc/24/18/46/938241846.db2.gz GJXXMPDUNRLNON-JKSUJKDBSA-N 1 1 251.414 3.216 20 30 CGEDMO C=CCCCC[N@@H+]1C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001560054205 938242798 /nfs/dbraw/zinc/24/27/98/938242798.db2.gz VMTDRIPRZOYWQA-KBPBESRZSA-N 1 1 282.428 3.330 20 30 CGEDMO CCCCCCCCC[N@H+]1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC001560097067 938244115 /nfs/dbraw/zinc/24/41/15/938244115.db2.gz OXCMSNVBBPLFGY-JKSUJKDBSA-N 1 1 280.456 3.338 20 30 CGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)C(C)(C)C ZINC001560128771 938244735 /nfs/dbraw/zinc/24/47/35/938244735.db2.gz KOOVMRUCWVOSBE-JJRVBVJISA-N 1 1 295.471 3.043 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC001560136135 938244918 /nfs/dbraw/zinc/24/49/18/938244918.db2.gz LZJOPXGAOANXCJ-CQSZACIVSA-N 1 1 297.320 3.473 20 30 CGEDMO C#CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C)C(C)(C)C ZINC001560156498 938245610 /nfs/dbraw/zinc/24/56/10/938245610.db2.gz PMBCVPUMYIVRMX-UHFFFAOYSA-N 1 1 292.448 3.346 20 30 CGEDMO C#CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C)C(C)(C)C ZINC001560156498 938245611 /nfs/dbraw/zinc/24/56/11/938245611.db2.gz PMBCVPUMYIVRMX-UHFFFAOYSA-N 1 1 292.448 3.346 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@@H](C3CC3)C[C@H]2C2CC2)o1 ZINC001560187416 938246373 /nfs/dbraw/zinc/24/63/73/938246373.db2.gz ISCXKKMHPZGUHL-BBRMVZONSA-N 1 1 256.349 3.162 20 30 CGEDMO C=CCC[C@H]1CCC[N@H+]1Cc1noc(C)c1C(=O)OCC ZINC001560199755 938246752 /nfs/dbraw/zinc/24/67/52/938246752.db2.gz CJJRROWNARXQLT-ZDUSSCGKSA-N 1 1 292.379 3.090 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1noc(C)c1C(=O)OCC ZINC001560199755 938246753 /nfs/dbraw/zinc/24/67/53/938246753.db2.gz CJJRROWNARXQLT-ZDUSSCGKSA-N 1 1 292.379 3.090 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN[C@@H](C)C[NH+]1CCC(C)CC1 ZINC001560532130 938261814 /nfs/dbraw/zinc/26/18/14/938261814.db2.gz URYDBJCARMMVRO-KRWDZBQOSA-N 1 1 299.462 3.385 20 30 CGEDMO CN(C)c1ccc(C#N)cc1C[N@H+](C)Cc1ccccc1F ZINC001560680311 938269548 /nfs/dbraw/zinc/26/95/48/938269548.db2.gz UPCYLMPURICDHN-UHFFFAOYSA-N 1 1 297.377 3.395 20 30 CGEDMO CN(C)c1ccc(C#N)cc1C[N@@H+](C)Cc1ccccc1F ZINC001560680311 938269549 /nfs/dbraw/zinc/26/95/49/938269549.db2.gz UPCYLMPURICDHN-UHFFFAOYSA-N 1 1 297.377 3.395 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCOCC23CCCCC3)cc1 ZINC001560832930 938278472 /nfs/dbraw/zinc/27/84/72/938278472.db2.gz RZGLROJDHSASTH-UHFFFAOYSA-N 1 1 269.388 3.203 20 30 CGEDMO C#CCC[N@H+](CCOC)C[C@H]1CCC[C@H](CC)C1 ZINC001560945875 938285775 /nfs/dbraw/zinc/28/57/75/938285775.db2.gz MFXULUFNOIXEND-HOTGVXAUSA-N 1 1 251.414 3.175 20 30 CGEDMO C=C(C)C[N@H+](CCNC(=O)[C@@H](C)[C@H](C)C(C)(C)C)C1CC1 ZINC001317557655 957897253 /nfs/dbraw/zinc/89/72/53/957897253.db2.gz GMTQCSZBKZJHQD-GJZGRUSLSA-N 1 1 294.483 3.461 20 30 CGEDMO Cc1cccc2cc[nH+]c(NCc3ncc(C#N)s3)c12 ZINC001161005027 958835368 /nfs/dbraw/zinc/83/53/68/958835368.db2.gz ALZITYDOAVXJDF-UHFFFAOYSA-N 1 1 280.356 3.484 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)/C=C/C(C)(C)C)[C@H]1CC ZINC001316729772 960432440 /nfs/dbraw/zinc/43/24/40/960432440.db2.gz IBFGQUSQKUVCCA-LUIPGBGBSA-N 1 1 298.858 3.310 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)/C=C/C(C)(C)C)[C@H]1CC ZINC001316729772 960432444 /nfs/dbraw/zinc/43/24/44/960432444.db2.gz IBFGQUSQKUVCCA-LUIPGBGBSA-N 1 1 298.858 3.310 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC1(C)C ZINC001323680904 960437081 /nfs/dbraw/zinc/43/70/81/960437081.db2.gz JPODADXYIXGYJG-OWCLPIDISA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)CC1CCCC1 ZINC001570524076 960455795 /nfs/dbraw/zinc/45/57/95/960455795.db2.gz PYMBFRVNUZSMBR-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)c1c(C)coc1C ZINC001566450578 960559610 /nfs/dbraw/zinc/55/96/10/960559610.db2.gz AVDUVTXXDHUVRZ-AWEZNQCLSA-N 1 1 292.423 3.303 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H](C)CCCCCC)C1 ZINC001567924710 960601984 /nfs/dbraw/zinc/60/19/84/960601984.db2.gz GAODOIGGMGDODH-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)CCC(=O)N1CCCC[C@H]1C[N@H+](C)CCCC ZINC001566122235 960895717 /nfs/dbraw/zinc/89/57/17/960895717.db2.gz PTQWRDJXQBPNLT-INIZCTEOSA-N 1 1 280.456 3.456 20 30 CGEDMO C=C(C)C[N@@H+](CCCNC(=O)c1sccc1F)C1CC1 ZINC001566586330 960964928 /nfs/dbraw/zinc/96/49/28/960964928.db2.gz KHZPNWBKJBPQBA-UHFFFAOYSA-N 1 1 296.411 3.048 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)c2c[nH]cc2C)C1 ZINC001566681860 960982053 /nfs/dbraw/zinc/98/20/53/960982053.db2.gz JGCANZWZXQXJDV-HNNXBMFYSA-N 1 1 291.439 3.098 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[C@@H](CC)C(C)C)C1 ZINC001566679432 960985878 /nfs/dbraw/zinc/98/58/78/960985878.db2.gz UASJUTUOWVJPRI-CVEARBPZSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@H](C[N@@H+](C)CC(=C)C)C1 ZINC001566743334 961006352 /nfs/dbraw/zinc/00/63/52/961006352.db2.gz LXADTDYQXJWCSV-SJLPKXTDSA-N 1 1 292.467 3.335 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@@H](C[N@@H+](C)CC(C)C)C1 ZINC001566742791 961006458 /nfs/dbraw/zinc/00/64/58/961006458.db2.gz CXXNANSCBMVZRZ-FUHWJXTLSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001566742613 961009187 /nfs/dbraw/zinc/00/91/87/961009187.db2.gz ZKGIESGDDFHVJM-HOTGVXAUSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)C(C)C)C1 ZINC001566879094 961043662 /nfs/dbraw/zinc/04/36/62/961043662.db2.gz YKLUGTXSNVUXSR-HZPDHXFCSA-N 1 1 280.456 3.073 20 30 CGEDMO CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(CC)(CC)CC ZINC001566927245 961061134 /nfs/dbraw/zinc/06/11/34/961061134.db2.gz NJOLFHNFWFVXNS-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1coc(C)c1 ZINC001566920599 961066426 /nfs/dbraw/zinc/06/64/26/961066426.db2.gz WOLBFCXKTKLGLV-INIZCTEOSA-N 1 1 290.407 3.139 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CCCCC)C1 ZINC001566958494 961074551 /nfs/dbraw/zinc/07/45/51/961074551.db2.gz QBMIHSGTWXDYJL-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(C=C)cc2)C1 ZINC001567198941 961137930 /nfs/dbraw/zinc/13/79/30/961137930.db2.gz RBXOWOOVHLKTTH-SFHVURJKSA-N 1 1 298.430 3.442 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@](C)(F)CCCC)C1 ZINC001567196032 961143757 /nfs/dbraw/zinc/14/37/57/961143757.db2.gz WBPSHXVKOUXVCL-ZBFHGGJFSA-N 1 1 284.419 3.014 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H](C)C(C)(C)C ZINC001567253387 961156618 /nfs/dbraw/zinc/15/66/18/961156618.db2.gz DIOWENRUDUQAAA-HOTGVXAUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)C1CCCC1 ZINC001567241667 961157670 /nfs/dbraw/zinc/15/76/70/961157670.db2.gz IYXAIWNIECFSKT-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[N@H+](C)Cc1cc(C)sc1C ZINC001567297182 961266221 /nfs/dbraw/zinc/26/62/21/961266221.db2.gz MZRPRGJLMKNPCF-UHFFFAOYSA-N 1 1 294.464 3.125 20 30 CGEDMO C=CCC[N@H+](C)CCNC(=O)[C@@H](c1ccccc1)C(C)C ZINC001567306174 961284347 /nfs/dbraw/zinc/28/43/47/961284347.db2.gz ZSTHUJNNTUDPQI-QGZVFWFLSA-N 1 1 288.435 3.050 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)C(C)=C1CCC1 ZINC001567366019 961302344 /nfs/dbraw/zinc/30/23/44/961302344.db2.gz YJDIOOZMETZNOB-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)C[C@H]1CC=CCC1 ZINC001567376265 961310940 /nfs/dbraw/zinc/31/09/40/961310940.db2.gz DONNLSZLPCCSGS-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC001567395972 961319860 /nfs/dbraw/zinc/31/98/60/961319860.db2.gz UJQJETCYSHFZMC-CRAIPNDOSA-N 1 1 298.430 3.078 20 30 CGEDMO C#CCC[N@H+](CCCNC(=O)[C@@H](C)C1CCCC1)C(C)C ZINC001567651481 961378856 /nfs/dbraw/zinc/37/88/56/961378856.db2.gz ODAPIZDXNDREAT-INIZCTEOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](N(CCC)C(=O)C2CC2)C1 ZINC001567678266 961396192 /nfs/dbraw/zinc/39/61/92/961396192.db2.gz OKDFYLWTKNCSBD-HOCLYGCPSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@H+]1CC[C@H](N(CCC)C(=O)c2occc2Cl)C1 ZINC001567689389 961405147 /nfs/dbraw/zinc/40/51/47/961405147.db2.gz VVNYZMMDOIDGOL-LBPRGKRZSA-N 1 1 296.798 3.046 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)c2occc2Cl)C1 ZINC001567689389 961405157 /nfs/dbraw/zinc/40/51/57/961405157.db2.gz VVNYZMMDOIDGOL-LBPRGKRZSA-N 1 1 296.798 3.046 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)C[C@@H](C)CC(C)C)C1 ZINC001567713263 961405856 /nfs/dbraw/zinc/40/58/56/961405856.db2.gz ZUCQFNFDHBHUJR-IRXDYDNUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@@H](C[N@H+](C)CC(C)C)C1 ZINC001567738903 961412054 /nfs/dbraw/zinc/41/20/54/961412054.db2.gz UIWPTOIKDRPZSQ-HNNXBMFYSA-N 1 1 280.456 3.025 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CC1CCN(C(=O)CCCF)CC1 ZINC001567749511 961415822 /nfs/dbraw/zinc/41/58/22/961415822.db2.gz FLPUFTBYVCLEGZ-HNNXBMFYSA-N 1 1 298.446 3.261 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC001567723623 961418337 /nfs/dbraw/zinc/41/83/37/961418337.db2.gz ZAKGBYSEGXCGIL-SJORKVTESA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CC2CC(C)C2)C1 ZINC001567766801 961426053 /nfs/dbraw/zinc/42/60/53/961426053.db2.gz IFERTZZMQJLWLZ-UYSNPLJNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CCC(=O)NC1C[NH+]([C@H](CC)c2ccccc2)C1 ZINC001567794628 961433871 /nfs/dbraw/zinc/43/38/71/961433871.db2.gz CWJYWAUILFQIQO-QGZVFWFLSA-N 1 1 286.419 3.294 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2oc(C)cc2C)C1 ZINC001567888533 961458372 /nfs/dbraw/zinc/45/83/72/961458372.db2.gz UEXNFXMMHDUOBA-DZGCQCFKSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](F)CC)C1 ZINC001567918631 961465687 /nfs/dbraw/zinc/46/56/87/961465687.db2.gz MDVNZCOYHHIZTE-HUUCEWRRSA-N 1 1 284.419 3.014 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)C2(F)CCCC2)C1 ZINC001567938445 961467584 /nfs/dbraw/zinc/46/75/84/961467584.db2.gz FHXRHWGALOWMMT-OAHLLOKOSA-N 1 1 296.430 3.158 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)C=C2CCCCC2)C1 ZINC001567932308 961467831 /nfs/dbraw/zinc/46/78/31/961467831.db2.gz OHLAAEZEYMYIQD-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C#CCC[N@H+](C)CCC1CCN(C(=O)C(C)(C)CC)CC1 ZINC001568438429 961571789 /nfs/dbraw/zinc/57/17/89/961571789.db2.gz HDJULTGZSPQANA-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)C=C1CCCCC1 ZINC001569106347 961685886 /nfs/dbraw/zinc/68/58/86/961685886.db2.gz CWNIQQWTWIIPLZ-OAHLLOKOSA-N 1 1 278.440 3.280 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H](C)C[N@@H+](C)CC2CCCC2)CC1 ZINC001569135808 961698713 /nfs/dbraw/zinc/69/87/13/961698713.db2.gz FNTMFZNAAPRACD-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+](CC1CC1)C1CCN(C(=O)CC2CC2)CC1 ZINC001569450702 961770919 /nfs/dbraw/zinc/77/09/19/961770919.db2.gz IVWRARXTTMYWIB-UHFFFAOYSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+](CC1CC1)C1CCN(C(=O)CCCC)CC1 ZINC001569450814 961771104 /nfs/dbraw/zinc/77/11/04/961771104.db2.gz LTCBOZSMATUYDX-UHFFFAOYSA-N 1 1 292.467 3.456 20 30 CGEDMO C#CC[N@H+](CCNC(=O)C[C@H](C)CC)C1CCCCCC1 ZINC001569450470 961771152 /nfs/dbraw/zinc/77/11/52/961771152.db2.gz XQLXVYJGMXRCBQ-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCCC)C2)C1 ZINC001569463663 961776776 /nfs/dbraw/zinc/77/67/76/961776776.db2.gz AMINSHJBRWMEHO-GOSISDBHSA-N 1 1 292.467 3.457 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)CCCCCC)C2)C1 ZINC001569481218 961780067 /nfs/dbraw/zinc/78/00/67/961780067.db2.gz RDHVPJOQTYYHGN-GOSISDBHSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](C)C2CC2)C1 ZINC001569633163 961806120 /nfs/dbraw/zinc/80/61/20/961806120.db2.gz HIYXBEFBNMCDHP-CRAIPNDOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@](C)(NC(=O)C/C=C(\C)C=C)C1 ZINC001569644740 961807649 /nfs/dbraw/zinc/80/76/49/961807649.db2.gz OUFOQPLVLWQZHX-FVLHSZHDSA-N 1 1 276.424 3.056 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001569723214 961841711 /nfs/dbraw/zinc/84/17/11/961841711.db2.gz SMMSZSIOHNJOJX-JFIYKMOQSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](C)CCC)[C@@H]2C1 ZINC001569918714 961870191 /nfs/dbraw/zinc/87/01/91/961870191.db2.gz RPGBYONVPAAXPO-IXDOHACOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2C/C=C/Cl ZINC001569910872 961877209 /nfs/dbraw/zinc/87/72/09/961877209.db2.gz XJQRACUWFURPPT-RDCWBDQOSA-N 1 1 296.842 3.161 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccccc1CNC(=O)C(C)C ZINC001570026004 961882920 /nfs/dbraw/zinc/88/29/20/961882920.db2.gz SRGIPDJQMBLGKM-UHFFFAOYSA-N 1 1 288.435 3.357 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CCC[N@H+](CC[C@@H](C)F)CC1 ZINC001570177383 961915452 /nfs/dbraw/zinc/91/54/52/961915452.db2.gz KYBNPNURUYEJED-HUUCEWRRSA-N 1 1 284.419 3.062 20 30 CGEDMO CC#CCCCC(=O)N[C@@H]1CCC[N@H+](C[C@@H](C)CC)CC1 ZINC001570181830 961922526 /nfs/dbraw/zinc/92/25/26/961922526.db2.gz QWUCLNXYGGHKHH-DLBZAZTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)C(C)(C)C)C(C)(C)C1 ZINC001570395777 961958956 /nfs/dbraw/zinc/95/89/56/961958956.db2.gz QGAAMSFLZAEHDT-ZIAGYGMSSA-N 1 1 280.456 3.071 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)C(C)C)C(C)(C)C1 ZINC001570398227 961962259 /nfs/dbraw/zinc/96/22/59/961962259.db2.gz YFEUJAUCHLTDFH-LSDHHAIUSA-N 1 1 280.456 3.071 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)CC1CCN(C(=O)C2(C)CC2)CC1 ZINC001570501806 961975581 /nfs/dbraw/zinc/97/55/81/961975581.db2.gz VLWUPAHQLPBDDG-UHFFFAOYSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cc(C)cs1 ZINC001570530461 961983274 /nfs/dbraw/zinc/98/32/74/961983274.db2.gz LHCFTKRYCPAUID-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)C=C1CCC1 ZINC001570527363 961987218 /nfs/dbraw/zinc/98/72/18/961987218.db2.gz GCOYZUJNPYPBIU-RDJZCZTQSA-N 1 1 290.451 3.374 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H](C)[N@@H+](C)CC2CC(C)C2)CCC1 ZINC001570734254 962055988 /nfs/dbraw/zinc/05/59/88/962055988.db2.gz QDYYOCXSBQJODA-HWOWSKLDSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)C(C)(C)C(C)C ZINC001570712408 962059876 /nfs/dbraw/zinc/05/98/76/962059876.db2.gz KIDRUSAMCGZAOG-CQSZACIVSA-N 1 1 268.445 3.071 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)c1ccc(C)c(C)c1 ZINC001570748643 962076901 /nfs/dbraw/zinc/07/69/01/962076901.db2.gz DAEBECAHHVEUJB-INIZCTEOSA-N 1 1 288.435 3.320 20 30 CGEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)CCCC)C(C)(C)C1 ZINC001570888520 962101044 /nfs/dbraw/zinc/10/10/44/962101044.db2.gz GCOWEDUKOSZSIE-JKSUJKDBSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCC)C[C@H]2C1 ZINC001571007203 962105879 /nfs/dbraw/zinc/10/58/79/962105879.db2.gz BXGQQALSQRCESQ-YESZJQIVSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CCC(=O)N1CC2(C1)CCC[N@@H+](CC1CCC1)C2 ZINC001571035631 962119395 /nfs/dbraw/zinc/11/93/95/962119395.db2.gz JPEJEKXQFROGJD-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C#CCCCC(=O)N1CCC([N@@H+](C)CCC(C)(C)C)CC1 ZINC001571330636 962133087 /nfs/dbraw/zinc/13/30/87/962133087.db2.gz RXSKXAWFKSKZPE-UHFFFAOYSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C=C(CC)CC)[C@H]1C ZINC001571517247 962169627 /nfs/dbraw/zinc/16/96/27/962169627.db2.gz PTEKPPOJKZETHV-ZBFHGGJFSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C2(CCF)CC2)[C@@H]1C ZINC001571520769 962173627 /nfs/dbraw/zinc/17/36/27/962173627.db2.gz JYBYKVLNPDINNV-GJZGRUSLSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)/C=C\c1ccco1)C(C)C ZINC001571609936 962184412 /nfs/dbraw/zinc/18/44/12/962184412.db2.gz ZIFHLSSRGQMRAJ-KTKRTIGZSA-N 1 1 290.407 3.038 20 30 CGEDMO C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)/C(C)=C/CC)CC1 ZINC001571647218 962202191 /nfs/dbraw/zinc/20/21/91/962202191.db2.gz YFFFIZOLGPGCLG-CYIWUNGXSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H](C)CCC ZINC001588647761 963299624 /nfs/dbraw/zinc/29/96/24/963299624.db2.gz BLLDYNJEPMWRRY-CYBMUJFWSA-N 1 1 285.395 3.043 20 30 CGEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cncnc1 ZINC000350629608 219041121 /nfs/dbraw/zinc/04/11/21/219041121.db2.gz QBDWMVKVEXKSGS-UHFFFAOYSA-N 1 1 280.375 3.006 20 30 CGEDMO CCC[N@@H+](CC)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000337652546 214198060 /nfs/dbraw/zinc/19/80/60/214198060.db2.gz FFXQZWZOLWEDON-UHFFFAOYSA-N 1 1 293.798 3.272 20 30 CGEDMO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1CCCC(C)(C)C#N ZINC000350473128 529384681 /nfs/dbraw/zinc/38/46/81/529384681.db2.gz FLJQVNBDUNDQGO-CVEARBPZSA-N 1 1 293.455 3.038 20 30 CGEDMO CC(C)n1cc(C2=CCC[N@H+]([C@H]3CC[C@H](C#N)C3)CC2)nn1 ZINC000590659209 346860966 /nfs/dbraw/zinc/86/09/66/346860966.db2.gz YHZZZIQENIGTAN-HOCLYGCPSA-N 1 1 299.422 3.030 20 30 CGEDMO C=CC[C@H]1CC[C@@H]([NH2+]C2CCN(CCC)CC2)C1 ZINC000651749774 398281922 /nfs/dbraw/zinc/28/19/22/398281922.db2.gz JRHJGCGZFWCUIP-GOEBONIOSA-N 1 1 250.430 3.195 20 30 CGEDMO C=CC[C@H]1CC[C@@H]([NH2+]CCc2ccc3cn[nH]c3c2)C1 ZINC000651796962 398289257 /nfs/dbraw/zinc/28/92/57/398289257.db2.gz OBERLQBNEFWVEZ-XJKSGUPXSA-N 1 1 269.392 3.440 20 30 CGEDMO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccc3cncn3c2)C1 ZINC000651829280 398295224 /nfs/dbraw/zinc/29/52/24/398295224.db2.gz WRBQJLICQCSGFR-HIFRSBDPSA-N 1 1 255.365 3.169 20 30 CGEDMO COc1cccnc1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000590780110 346875715 /nfs/dbraw/zinc/87/57/15/346875715.db2.gz UQCRPJZHBIXWKR-INIZCTEOSA-N 1 1 293.370 3.129 20 30 CGEDMO CC[N@@H+](CCC1(C#N)CCCCC1)C[C@H]1CCOC1 ZINC000591011267 346894768 /nfs/dbraw/zinc/89/47/68/346894768.db2.gz GIUVGCGPCGKRND-OAHLLOKOSA-N 1 1 264.413 3.209 20 30 CGEDMO C[C@@H](CCC#N)[N@@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000591031624 346896102 /nfs/dbraw/zinc/89/61/02/346896102.db2.gz RPYRLOHBNWQOOF-KBPBESRZSA-N 1 1 275.371 3.028 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000591031624 346896104 /nfs/dbraw/zinc/89/61/04/346896104.db2.gz RPYRLOHBNWQOOF-KBPBESRZSA-N 1 1 275.371 3.028 20 30 CGEDMO C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1cc2n(n1)CCC2 ZINC000591241458 346910760 /nfs/dbraw/zinc/91/07/60/346910760.db2.gz VEBZYRDUQBSKNL-SJCJKPOMSA-N 1 1 292.386 3.039 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000591758836 346934294 /nfs/dbraw/zinc/93/42/94/346934294.db2.gz MWXCMSUWTMKECV-IUODEOHRSA-N 1 1 287.338 3.073 20 30 CGEDMO CCc1nc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)cs1 ZINC000353426384 529740928 /nfs/dbraw/zinc/74/09/28/529740928.db2.gz MBAWCKPNQUUHIY-HNNXBMFYSA-N 1 1 283.400 3.354 20 30 CGEDMO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1ccncc1C#N ZINC000592069855 346959011 /nfs/dbraw/zinc/95/90/11/346959011.db2.gz WQNRBSCGYDTVID-XJKSGUPXSA-N 1 1 295.361 3.470 20 30 CGEDMO CC1(C)CCC[C@H]1[C@H]1CC[N@@H+](CCOCCC#N)C1 ZINC000592154320 346967676 /nfs/dbraw/zinc/96/76/76/346967676.db2.gz PEFQKNZNSDQZLY-GJZGRUSLSA-N 1 1 264.413 3.065 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000592153506 346968068 /nfs/dbraw/zinc/96/80/68/346968068.db2.gz BKERSPGFLMCIGN-OAHLLOKOSA-N 1 1 264.413 3.207 20 30 CGEDMO CC(C)c1noc([C@@H](C)[NH+]2CCC(CCC#N)CC2)n1 ZINC000592136089 346965901 /nfs/dbraw/zinc/96/59/01/346965901.db2.gz MHBSWGQLEKNFCC-GFCCVEGCSA-N 1 1 276.384 3.270 20 30 CGEDMO CCCC[N@@H+](CC1(C#N)CC1)[C@@H]1CCc2ncsc2C1 ZINC000592189833 346969967 /nfs/dbraw/zinc/96/99/67/346969967.db2.gz XFYNOZWKDSUGOX-CYBMUJFWSA-N 1 1 289.448 3.406 20 30 CGEDMO CC(C)[C@H]1[N@@H+](Cc2ccc(C#N)o2)CC12CC=CC2 ZINC000592526587 346996935 /nfs/dbraw/zinc/99/69/35/346996935.db2.gz IDUDMCUUTCAXKF-OAHLLOKOSA-N 1 1 256.349 3.328 20 30 CGEDMO CC[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)[C@@H](C)CO1 ZINC000593063268 347034520 /nfs/dbraw/zinc/03/45/20/347034520.db2.gz SYHCDFHWUMKPAI-LSDHHAIUSA-N 1 1 264.413 3.350 20 30 CGEDMO COc1ccc(C[C@H]2CCCC[N@H+]2CC2(C#N)CC2)cc1 ZINC000593084914 347037542 /nfs/dbraw/zinc/03/75/42/347037542.db2.gz UDWBMARWBOVGPQ-MRXNPFEDSA-N 1 1 284.403 3.396 20 30 CGEDMO N#Cc1cccc2c1C[N@H+](CCCC1CCOCC1)C2 ZINC000593127910 347043488 /nfs/dbraw/zinc/04/34/88/347043488.db2.gz XSJHMBKHBONGJF-UHFFFAOYSA-N 1 1 270.376 3.081 20 30 CGEDMO N#Cc1cccc2c1C[N@@H+](CCCC1CCOCC1)C2 ZINC000593127910 347043493 /nfs/dbraw/zinc/04/34/93/347043493.db2.gz XSJHMBKHBONGJF-UHFFFAOYSA-N 1 1 270.376 3.081 20 30 CGEDMO CN1CC[N@@H+](CCCC(C)(C)C#N)[C@H](Cc2ccccc2)C1 ZINC000593090866 347038380 /nfs/dbraw/zinc/03/83/80/347038380.db2.gz YUZHYTMOYQBYGH-GOSISDBHSA-N 1 1 299.462 3.175 20 30 CGEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)CN(CC#N)C1CC1 ZINC000352738920 529999315 /nfs/dbraw/zinc/99/93/15/529999315.db2.gz VNGWUOYOCQAGDC-UHFFFAOYSA-N 1 1 285.435 3.133 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1sccc1C#N)Cc1ccccc1 ZINC000021364879 344893142 /nfs/dbraw/zinc/89/31/42/344893142.db2.gz PDDYYELQEGQIBY-UHFFFAOYSA-N 1 1 299.399 3.080 20 30 CGEDMO COc1ccc(C[N@@H+](C)CCOc2ccc(C#N)cc2)cc1 ZINC000042975917 344991642 /nfs/dbraw/zinc/99/16/42/344991642.db2.gz XZJZEXXMPLLMMM-UHFFFAOYSA-N 1 1 296.370 3.078 20 30 CGEDMO N#Cc1ccc(N[C@H]2CC[N@H+](C3CC3)C2)cc1C(F)(F)F ZINC000044679003 345015186 /nfs/dbraw/zinc/01/51/86/345015186.db2.gz JPZDSFUHSKBEMR-LBPRGKRZSA-N 1 1 295.308 3.226 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1c1ccc(OC)cc1OC ZINC000050274316 345079872 /nfs/dbraw/zinc/07/98/72/345079872.db2.gz SLFBTTUPAMMXFM-HNNXBMFYSA-N 1 1 261.365 3.417 20 30 CGEDMO Cc1ccc(OCC[N@@H+](C)Cc2ccccc2C#N)cc1 ZINC000053421018 345120357 /nfs/dbraw/zinc/12/03/57/345120357.db2.gz WPEZRQOXBGCKSC-UHFFFAOYSA-N 1 1 280.371 3.378 20 30 CGEDMO Cc1ccc(OCC[N@H+](C)Cc2ccccc2C#N)cc1 ZINC000053421018 345120358 /nfs/dbraw/zinc/12/03/58/345120358.db2.gz WPEZRQOXBGCKSC-UHFFFAOYSA-N 1 1 280.371 3.378 20 30 CGEDMO COc1ccc(C[N@@H+](C)CCOc2cccc(C#N)c2)cc1 ZINC000051317416 345089179 /nfs/dbraw/zinc/08/91/79/345089179.db2.gz SXJNKRSWQUTLKY-UHFFFAOYSA-N 1 1 296.370 3.078 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+](Cc1ccccc1)C(C)C ZINC000052877035 345109238 /nfs/dbraw/zinc/10/92/38/345109238.db2.gz INERHYQUMBQTFS-UHFFFAOYSA-N 1 1 288.435 3.322 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)C[C@@H]1CCCCO1 ZINC000065959806 345282338 /nfs/dbraw/zinc/28/23/38/345282338.db2.gz HTNMLRMFGRAMAY-KRWDZBQOSA-N 1 1 259.393 3.286 20 30 CGEDMO C=CCCC(=O)Nc1cccc2c1C[N@H+](CCC)C2 ZINC000066514106 345298274 /nfs/dbraw/zinc/29/82/74/345298274.db2.gz SMUVYTOADVXMEM-UHFFFAOYSA-N 1 1 258.365 3.317 20 30 CGEDMO C=CCCC(=O)Nc1cccc2c1C[N@@H+](CCC)C2 ZINC000066514106 345298277 /nfs/dbraw/zinc/29/82/77/345298277.db2.gz SMUVYTOADVXMEM-UHFFFAOYSA-N 1 1 258.365 3.317 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@H]2C2CCCC2)ccn1 ZINC000068766519 345362197 /nfs/dbraw/zinc/36/21/97/345362197.db2.gz AOKFGGXVPATVHT-INIZCTEOSA-N 1 1 255.365 3.108 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)N[C@H]1CCCc2ccccc21 ZINC000072553347 345412017 /nfs/dbraw/zinc/41/20/17/345412017.db2.gz PBAXWRGBEPZEBI-KRWDZBQOSA-N 1 1 286.419 3.078 20 30 CGEDMO N#CCSCCC[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000080629705 345680778 /nfs/dbraw/zinc/68/07/78/345680778.db2.gz AMQUGLZVPGEWGY-SJORKVTESA-N 1 1 299.443 3.405 20 30 CGEDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000080656104 345682301 /nfs/dbraw/zinc/68/23/01/345682301.db2.gz JXJUHIWZVRAJKN-DOMZBBRYSA-N 1 1 296.374 3.229 20 30 CGEDMO CC[C@H]1C[C@@H](C)C[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000080747835 345685892 /nfs/dbraw/zinc/68/58/92/345685892.db2.gz WCUBKIHWRCXDSW-CJNGLKHVSA-N 1 1 285.391 3.007 20 30 CGEDMO N#CCN1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000086169268 345748149 /nfs/dbraw/zinc/74/81/49/345748149.db2.gz WAVQQUDCDIVZEN-UHFFFAOYSA-N 1 1 283.419 3.031 20 30 CGEDMO N#CCCC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000084135309 345729775 /nfs/dbraw/zinc/72/97/75/345729775.db2.gz CHAGVDPGLOITRP-INIZCTEOSA-N 1 1 284.359 3.119 20 30 CGEDMO CCC[N@H+]1CC[C@H](CNc2c(Cl)cccc2C#N)C1 ZINC000091457646 345814740 /nfs/dbraw/zinc/81/47/40/345814740.db2.gz KVXVFHOVLOBGBQ-GFCCVEGCSA-N 1 1 277.799 3.355 20 30 CGEDMO CCC[N@H+]1CC[C@@H](CNc2c(Cl)cccc2C#N)C1 ZINC000091457648 345815267 /nfs/dbraw/zinc/81/52/67/345815267.db2.gz KVXVFHOVLOBGBQ-LBPRGKRZSA-N 1 1 277.799 3.355 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000091508461 345817245 /nfs/dbraw/zinc/81/72/45/345817245.db2.gz ARVUDZMQCDIAAX-CYBMUJFWSA-N 1 1 278.362 3.301 20 30 CGEDMO C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000089931598 345777134 /nfs/dbraw/zinc/77/71/34/345777134.db2.gz MVTCVMREZCQSNC-HUUCEWRRSA-N 1 1 286.419 3.081 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(Cl)cc1)C1CCC(CO)CC1 ZINC000089923870 345777235 /nfs/dbraw/zinc/77/72/35/345777235.db2.gz SMHSJUVNHKCUQP-UHFFFAOYSA-N 1 1 291.822 3.174 20 30 CGEDMO C[C@@H]1C[C@@H](Nc2cnccc2C#N)C[N@H+]1Cc1ccccc1 ZINC000091739543 345822650 /nfs/dbraw/zinc/82/26/50/345822650.db2.gz AJLBJNXJPVUQTC-RHSMWYFYSA-N 1 1 292.386 3.028 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CC[C@@H](C)C1 ZINC000092902996 345862062 /nfs/dbraw/zinc/86/20/62/345862062.db2.gz AKOCDTLKFWJJRS-PBHICJAKSA-N 1 1 272.392 3.195 20 30 CGEDMO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1c(C)noc1C ZINC000130356248 346057023 /nfs/dbraw/zinc/05/70/23/346057023.db2.gz LODWEDZUMWHQQZ-SNVBAGLBSA-N 1 1 285.347 3.023 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)ccc1F ZINC000177503832 232368101 /nfs/dbraw/zinc/36/81/01/232368101.db2.gz XGGVRWAUBMYWTB-GFCCVEGCSA-N 1 1 286.272 3.472 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)ccc1F ZINC000177503832 232368103 /nfs/dbraw/zinc/36/81/03/232368103.db2.gz XGGVRWAUBMYWTB-GFCCVEGCSA-N 1 1 286.272 3.472 20 30 CGEDMO Cc1csc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2C)n1 ZINC000165312225 346184254 /nfs/dbraw/zinc/18/42/54/346184254.db2.gz CJOMUPOEYWZJQR-GFCCVEGCSA-N 1 1 271.389 3.482 20 30 CGEDMO CCCC[N@@H+]1CCCC[C@H]1CNCc1cccc(C#N)c1 ZINC000236755425 346342288 /nfs/dbraw/zinc/34/22/88/346342288.db2.gz KDUHAQYZFUZWQU-SFHVURJKSA-N 1 1 285.435 3.302 20 30 CGEDMO CCCC[N@H+]1CCCC[C@H]1CNCc1cccc(C#N)c1 ZINC000236755425 346342293 /nfs/dbraw/zinc/34/22/93/346342293.db2.gz KDUHAQYZFUZWQU-SFHVURJKSA-N 1 1 285.435 3.302 20 30 CGEDMO C[C@H](C[N@@H+](C)C[C@@H](C#N)CCC#N)c1ccccc1 ZINC000264875210 346405767 /nfs/dbraw/zinc/40/57/67/346405767.db2.gz PUSMBJHGFQZBPG-HUUCEWRRSA-N 1 1 255.365 3.165 20 30 CGEDMO CCN1CCC[N@@H+](CCCCC(C)(C)C#N)[C@@H](C)C1 ZINC000320036044 346488080 /nfs/dbraw/zinc/48/80/80/346488080.db2.gz CCQBRLFUHXFDIS-HNNXBMFYSA-N 1 1 265.445 3.123 20 30 CGEDMO CC[N@@H+]1CCCN(CCCCC(C)(C)C#N)[C@@H](C)C1 ZINC000320036044 346488082 /nfs/dbraw/zinc/48/80/82/346488082.db2.gz CCQBRLFUHXFDIS-HNNXBMFYSA-N 1 1 265.445 3.123 20 30 CGEDMO CC[N@H+]1CCCN(CCCCC(C)(C)C#N)[C@@H](C)C1 ZINC000320036044 346488084 /nfs/dbraw/zinc/48/80/84/346488084.db2.gz CCQBRLFUHXFDIS-HNNXBMFYSA-N 1 1 265.445 3.123 20 30 CGEDMO C[N@@H+](CCCOCc1ccccc1)[C@H]1CCC[C@H]1C#N ZINC000384287730 346563837 /nfs/dbraw/zinc/56/38/37/346563837.db2.gz UBYPIUUNCGOZGZ-IRXDYDNUSA-N 1 1 272.392 3.217 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000397867640 346585318 /nfs/dbraw/zinc/58/53/18/346585318.db2.gz WQMVERMKGMXOSX-GJZGRUSLSA-N 1 1 262.397 3.104 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403718052 346597678 /nfs/dbraw/zinc/59/76/78/346597678.db2.gz ZCWIKTQGDVTHIK-IXDOHACOSA-N 1 1 254.377 3.426 20 30 CGEDMO CC(C)O[C@@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000404725413 346600716 /nfs/dbraw/zinc/60/07/16/346600716.db2.gz XEGOVMBQUQQXGS-CQSZACIVSA-N 1 1 252.402 3.206 20 30 CGEDMO N#Cc1cccc2c1C[N@@H+](C[C@@H]1CC[C@@H]3C[C@@H]3C1)C2 ZINC000405051239 346601533 /nfs/dbraw/zinc/60/15/33/346601533.db2.gz BQVMJALGZINALB-IOASZLSFSA-N 1 1 252.361 3.310 20 30 CGEDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)CCCCCC#N)C1 ZINC000588295430 346758917 /nfs/dbraw/zinc/75/89/17/346758917.db2.gz GCISPWKAFVTBOI-INIZCTEOSA-N 1 1 293.455 3.089 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@@H](C3CC3)C2)ccc1C#N ZINC000589209354 346790640 /nfs/dbraw/zinc/79/06/40/346790640.db2.gz HNVFNXYBWAFCPG-MRXNPFEDSA-N 1 1 270.376 3.189 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCCCC[C@H]1CO ZINC000594016619 347138419 /nfs/dbraw/zinc/13/84/19/347138419.db2.gz ALGIZHDWHZZUIJ-INIZCTEOSA-N 1 1 286.419 3.225 20 30 CGEDMO N#Cc1ccc(C2([NH2+]Cc3ccncc3F)CCC2)cc1 ZINC000594035479 347141584 /nfs/dbraw/zinc/14/15/84/347141584.db2.gz PGWKVRQZRRGFFC-UHFFFAOYSA-N 1 1 281.334 3.261 20 30 CGEDMO N#Cc1cc(F)c(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c(F)c1 ZINC000594603420 347200926 /nfs/dbraw/zinc/20/09/26/347200926.db2.gz VDFHYSVTALZVEM-CABCVRRESA-N 1 1 291.345 3.265 20 30 CGEDMO N#Cc1cnc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)c(Cl)c1 ZINC000594604029 347200965 /nfs/dbraw/zinc/20/09/65/347200965.db2.gz WQHCRHMWDFFTEP-UONOGXRCSA-N 1 1 290.798 3.035 20 30 CGEDMO CC(C)(C#N)c1ccc(CN[C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000594497784 347179501 /nfs/dbraw/zinc/17/95/01/347179501.db2.gz GLUYDOBASTXTDY-GOSISDBHSA-N 1 1 297.446 3.062 20 30 CGEDMO CC(C)(C#N)c1ccc(CN[C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000594497784 347179505 /nfs/dbraw/zinc/17/95/05/347179505.db2.gz GLUYDOBASTXTDY-GOSISDBHSA-N 1 1 297.446 3.062 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCOCc1ccc(OC)cc1 ZINC000594877677 347217412 /nfs/dbraw/zinc/21/74/12/347217412.db2.gz KRAZCZQRLKNKQN-UHFFFAOYSA-N 1 1 263.381 3.110 20 30 CGEDMO COc1cccc(C2([NH2+]Cc3nc(C#N)cs3)CCC2)c1 ZINC000594997948 347252675 /nfs/dbraw/zinc/25/26/75/347252675.db2.gz SNFDIHKVHHZLCI-UHFFFAOYSA-N 1 1 299.399 3.192 20 30 CGEDMO N#Cc1cccc(CN[C@@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000594978218 347247237 /nfs/dbraw/zinc/24/72/37/347247237.db2.gz RDFHBBMYLFJOCZ-QGZVFWFLSA-N 1 1 283.419 3.055 20 30 CGEDMO N#Cc1cccc(C[NH2+][C@@H]2CCN(C3CCCCC3)C2)c1 ZINC000594978218 347247240 /nfs/dbraw/zinc/24/72/40/347247240.db2.gz RDFHBBMYLFJOCZ-QGZVFWFLSA-N 1 1 283.419 3.055 20 30 CGEDMO CC(C)(C)c1ncc(C[NH2+]CC2(C#N)CCCCC2)cn1 ZINC000594981041 347247920 /nfs/dbraw/zinc/24/79/20/347247920.db2.gz FWEHYOZWUXIFNO-UHFFFAOYSA-N 1 1 286.423 3.338 20 30 CGEDMO COc1cccc(C[N@@H+](C)CCc2ccc(C#N)cc2)c1 ZINC000595291162 347287412 /nfs/dbraw/zinc/28/74/12/347287412.db2.gz HHKJGKAKNIHUTB-UHFFFAOYSA-N 1 1 280.371 3.241 20 30 CGEDMO C[N@@H+](CCc1cccs1)CCc1ccc(C#N)cc1 ZINC000595324663 347292321 /nfs/dbraw/zinc/29/23/21/347292321.db2.gz FIKFZUUVLANBCK-UHFFFAOYSA-N 1 1 270.401 3.337 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCS[C@H]3CCCC[C@H]32)cc1 ZINC000595337918 347293687 /nfs/dbraw/zinc/29/36/87/347293687.db2.gz DFXKOTIGRSWZQM-SJORKVTESA-N 1 1 286.444 3.461 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000595345685 347294679 /nfs/dbraw/zinc/29/46/79/347294679.db2.gz PFGBNMLJASGBGR-GOSISDBHSA-N 1 1 277.371 3.333 20 30 CGEDMO CC[C@@H]([NH2+]Cc1nccc(OC)c1F)c1ccc(C#N)cc1 ZINC000595082286 347279472 /nfs/dbraw/zinc/27/94/72/347279472.db2.gz XUHFQBDGZFCXRZ-CQSZACIVSA-N 1 1 299.349 3.342 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](CCOc2cccc(Cl)c2)C1 ZINC000595609454 347325362 /nfs/dbraw/zinc/32/53/62/347325362.db2.gz JXXXQJJCABKKTD-ZDUSSCGKSA-N 1 1 278.783 3.344 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000595611333 347326411 /nfs/dbraw/zinc/32/64/11/347326411.db2.gz JMXQHZLZRLEZBF-CYBMUJFWSA-N 1 1 283.350 3.500 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000595610958 347326714 /nfs/dbraw/zinc/32/67/14/347326714.db2.gz DVQNBPMFVKBEEX-GFCCVEGCSA-N 1 1 280.318 3.414 20 30 CGEDMO CC(C)n1ncc2cc(C[N@H+]3CCC[C@@H](CC#N)C3)cnc21 ZINC000595613562 347327895 /nfs/dbraw/zinc/32/78/95/347327895.db2.gz FKQAFNBLLHSGGK-AWEZNQCLSA-N 1 1 297.406 3.138 20 30 CGEDMO C=CC[N@@H+]1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1 ZINC000595616643 347328413 /nfs/dbraw/zinc/32/84/13/347328413.db2.gz NNTMMMGVQPGJKQ-OAHLLOKOSA-N 1 1 273.376 3.114 20 30 CGEDMO C=CC[N@H+]1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1 ZINC000595616643 347328417 /nfs/dbraw/zinc/32/84/17/347328417.db2.gz NNTMMMGVQPGJKQ-OAHLLOKOSA-N 1 1 273.376 3.114 20 30 CGEDMO CCCc1nc(C)c(C[N@H+]2CCC[C@@H](CC#N)C2)o1 ZINC000595623921 347329227 /nfs/dbraw/zinc/32/92/27/347329227.db2.gz YMEREFRUQBCMID-ZDUSSCGKSA-N 1 1 261.369 3.061 20 30 CGEDMO CN(CCC[N@H+]1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC000595623106 347329427 /nfs/dbraw/zinc/32/94/27/347329427.db2.gz HORMVJHHMIPJBI-INIZCTEOSA-N 1 1 271.408 3.139 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000595657736 347334248 /nfs/dbraw/zinc/33/42/48/347334248.db2.gz BODMDAFYUUTGCV-HUUCEWRRSA-N 1 1 297.402 3.173 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000595661214 347335173 /nfs/dbraw/zinc/33/51/73/347335173.db2.gz XINDSWSPEWICNM-RHSMWYFYSA-N 1 1 298.386 3.060 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000595661214 347335177 /nfs/dbraw/zinc/33/51/77/347335177.db2.gz XINDSWSPEWICNM-RHSMWYFYSA-N 1 1 298.386 3.060 20 30 CGEDMO C[C@@H]1COC2(CCCC2)C[N@H+]1CCCC(C)(C)C#N ZINC000595815285 347359286 /nfs/dbraw/zinc/35/92/86/347359286.db2.gz NQQUCFQAKHJAHH-CQSZACIVSA-N 1 1 264.413 3.350 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](C(=O)OC)[C@@H]2CCCC[C@@H]21 ZINC000595731336 347347979 /nfs/dbraw/zinc/34/79/79/347347979.db2.gz BEVZTBVTSBIMPY-KKUMJFAQSA-N 1 1 265.397 3.006 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](C(=O)OC)[C@H]2CCCC[C@@H]21 ZINC000595733086 347348590 /nfs/dbraw/zinc/34/85/90/347348590.db2.gz QUEIRDRVLOXZIE-ILXRZTDVSA-N 1 1 265.397 3.006 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@@H](CCF)C2)cc1C#N ZINC000595756729 347351457 /nfs/dbraw/zinc/35/14/57/347351457.db2.gz WEQZAOQRNZQTBC-ZDUSSCGKSA-N 1 1 276.355 3.138 20 30 CGEDMO COc1ccc2c(c1)CC[N@@H+](Cc1ccc(C#N)s1)C2 ZINC000595759713 347352790 /nfs/dbraw/zinc/35/27/90/347352790.db2.gz OADQJGAYLFRJGD-UHFFFAOYSA-N 1 1 284.384 3.187 20 30 CGEDMO COc1ccc2c(c1)CC[N@H+](Cc1ccc(C#N)s1)C2 ZINC000595759713 347352793 /nfs/dbraw/zinc/35/27/93/347352793.db2.gz OADQJGAYLFRJGD-UHFFFAOYSA-N 1 1 284.384 3.187 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2onc(C)c2[N+](=O)[O-])CCCC1(C)C ZINC000595464133 347307460 /nfs/dbraw/zinc/30/74/60/347307460.db2.gz CSWPIEPWXQNHFA-CYBMUJFWSA-N 1 1 293.367 3.458 20 30 CGEDMO C[C@@H]1CN([C@@H](C#N)c2ccccc2)CC[N@H+](C2CCC2)C1 ZINC000595503010 347312025 /nfs/dbraw/zinc/31/20/25/347312025.db2.gz YQSVTFXNABQISN-YJBOKZPZSA-N 1 1 283.419 3.057 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCC[C@H](c3ccccn3)C2)cc1 ZINC000595503079 347312318 /nfs/dbraw/zinc/31/23/18/347312318.db2.gz PLPZPOXXOMECAT-SFHVURJKSA-N 1 1 291.398 3.375 20 30 CGEDMO COc1cccc(SCC[N@H+](C)CC(C)(C)C#N)c1 ZINC000595499949 347312365 /nfs/dbraw/zinc/31/23/65/347312365.db2.gz HIOBRXFGCJWXKV-UHFFFAOYSA-N 1 1 278.421 3.269 20 30 CGEDMO COc1cccc(SCC[N@@H+](C)CC(C)(C)C#N)c1 ZINC000595499949 347312367 /nfs/dbraw/zinc/31/23/67/347312367.db2.gz HIOBRXFGCJWXKV-UHFFFAOYSA-N 1 1 278.421 3.269 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@@H+](C1CC1)C1(CO)CCC1 ZINC000595534878 347315906 /nfs/dbraw/zinc/31/59/06/347315906.db2.gz XEHZYLUILBFUNV-UHFFFAOYSA-N 1 1 298.430 3.367 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c(C(F)(F)F)c1 ZINC000595810761 347357567 /nfs/dbraw/zinc/35/75/67/347357567.db2.gz NPVVRQJZBZXDKL-DGCLKSJQSA-N 1 1 280.293 3.419 20 30 CGEDMO C[C@@H](CCC#N)[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000595830395 347361698 /nfs/dbraw/zinc/36/16/98/347361698.db2.gz USLCDAMTYOKHIO-JOYOIKCWSA-N 1 1 287.190 3.309 20 30 CGEDMO C[C@H](CCC#N)[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000595830396 347362103 /nfs/dbraw/zinc/36/21/03/347362103.db2.gz USLCDAMTYOKHIO-SKDRFNHKSA-N 1 1 287.190 3.309 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)c1F ZINC000595833041 347362868 /nfs/dbraw/zinc/36/28/68/347362868.db2.gz ZOWMCEDGPYVEHX-QGZVFWFLSA-N 1 1 296.345 3.351 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000595845305 347367097 /nfs/dbraw/zinc/36/70/97/347367097.db2.gz KYEZUZHIHHATKL-OKILXGFUSA-N 1 1 288.347 3.286 20 30 CGEDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1F ZINC000595858700 347368149 /nfs/dbraw/zinc/36/81/49/347368149.db2.gz YSCVQVUCWQWSOT-PHTAMDTFSA-N 1 1 258.340 3.460 20 30 CGEDMO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](CC#N)C2)o1 ZINC000597174616 347544041 /nfs/dbraw/zinc/54/40/41/347544041.db2.gz SCWSRMIYNYHPGS-ZDUSSCGKSA-N 1 1 284.363 3.104 20 30 CGEDMO CCN(CC)c1ncc(C[N@@H+]2CCC[C@H](CC#N)C2)s1 ZINC000597174573 347544342 /nfs/dbraw/zinc/54/43/42/347544342.db2.gz RGIKBJJXRHEHJU-CYBMUJFWSA-N 1 1 292.452 3.115 20 30 CGEDMO CCN(CC)c1ncc(C[N@H+]2CCC[C@H](CC#N)C2)s1 ZINC000597174573 347544343 /nfs/dbraw/zinc/54/43/43/347544343.db2.gz RGIKBJJXRHEHJU-CYBMUJFWSA-N 1 1 292.452 3.115 20 30 CGEDMO CCCOc1ccc(C[N@H+](C)C[C@H](C)C#N)c(C)c1 ZINC000596992444 347525418 /nfs/dbraw/zinc/52/54/18/347525418.db2.gz SENLXEJPAWWGON-CYBMUJFWSA-N 1 1 260.381 3.375 20 30 CGEDMO CCCOc1ccc(C[N@@H+](C)C[C@H](C)C#N)c(C)c1 ZINC000596992444 347525423 /nfs/dbraw/zinc/52/54/23/347525423.db2.gz SENLXEJPAWWGON-CYBMUJFWSA-N 1 1 260.381 3.375 20 30 CGEDMO Cn1nccc1-c1ccccc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000597178500 347545223 /nfs/dbraw/zinc/54/52/23/347545223.db2.gz YZEROACDBKTQOT-OAHLLOKOSA-N 1 1 294.402 3.213 20 30 CGEDMO COc1nc2ccccc2cc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000597178256 347545381 /nfs/dbraw/zinc/54/53/81/347545381.db2.gz WQVZLANRDQPPJG-AWEZNQCLSA-N 1 1 295.386 3.369 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@H]1F ZINC000597076475 347533092 /nfs/dbraw/zinc/53/30/92/347533092.db2.gz OKTRKLIOQGBNFC-XJKSGUPXSA-N 1 1 272.367 3.422 20 30 CGEDMO COc1cc(C)ccc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000597176626 347545529 /nfs/dbraw/zinc/54/55/29/347545529.db2.gz IWYRCOANBXJUDM-AWEZNQCLSA-N 1 1 258.365 3.129 20 30 CGEDMO N#CC1(c2ccc(C[N@@H+]3CCc4ncsc4C3)cc2)CC1 ZINC000597111488 347535318 /nfs/dbraw/zinc/53/53/18/347535318.db2.gz OYKOENDZTKPVMU-UHFFFAOYSA-N 1 1 295.411 3.257 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3CCc4ncsc4C3)cc2)CC1 ZINC000597111488 347535323 /nfs/dbraw/zinc/53/53/23/347535323.db2.gz OYKOENDZTKPVMU-UHFFFAOYSA-N 1 1 295.411 3.257 20 30 CGEDMO CCCn1nc(C)c(C[N@H+]2CCC[C@@H](CC#N)C2)c1C ZINC000597172726 347543223 /nfs/dbraw/zinc/54/32/23/347543223.db2.gz DQDVJRANZDDOCW-HNNXBMFYSA-N 1 1 274.412 3.036 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000597227804 347557935 /nfs/dbraw/zinc/55/79/35/347557935.db2.gz UUZWEZRWEHUOSY-UHFFFAOYSA-N 1 1 276.424 3.207 20 30 CGEDMO C[C@H](CCc1cccc(F)c1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000597232749 347559648 /nfs/dbraw/zinc/55/96/48/347559648.db2.gz WRWDLMWYEVADDB-CZUORRHYSA-N 1 1 260.356 3.382 20 30 CGEDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)CC1(C#N)CCCCC1 ZINC000597673817 347587326 /nfs/dbraw/zinc/58/73/26/347587326.db2.gz PFVSRZXDFHJEFN-HNNXBMFYSA-N 1 1 293.455 3.087 20 30 CGEDMO C[C@@H](C[NH+]1CC(CC#N)C1)c1cccc(Br)c1 ZINC000597194654 347548678 /nfs/dbraw/zinc/54/86/78/347548678.db2.gz VMNFVCKALTYMTP-NSHDSACASA-N 1 1 293.208 3.398 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([NH2+][C@H](C(F)F)C2CCCCC2)C1 ZINC000598650252 347675825 /nfs/dbraw/zinc/67/58/25/347675825.db2.gz JQGJDYAGKAXVDV-RTXFEEFZSA-N 1 1 256.340 3.482 20 30 CGEDMO C[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@@H]1CCCc2ccccc21 ZINC000598584732 347666047 /nfs/dbraw/zinc/66/60/47/347666047.db2.gz UDYNZRWLOTUASP-NVXWUHKLSA-N 1 1 286.419 3.297 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@@H+](Cc1ccccc1F)C1CC1 ZINC000598584531 347666071 /nfs/dbraw/zinc/66/60/71/347666071.db2.gz MUMVRSGJMHGFAI-OAHLLOKOSA-N 1 1 290.382 3.091 20 30 CGEDMO Cc1ccc([C@H](C)[N@@H+](C)C[C@H](O)CC(C)(C)C#N)cc1 ZINC000598585584 347666844 /nfs/dbraw/zinc/66/68/44/347666844.db2.gz GJFSLFMAPNDMJN-GOEBONIOSA-N 1 1 274.408 3.289 20 30 CGEDMO Cc1ccccc1[C@H](C)[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598586670 347666934 /nfs/dbraw/zinc/66/69/34/347666934.db2.gz WBPWOTGOKZUBHE-LSDHHAIUSA-N 1 1 274.408 3.289 20 30 CGEDMO CCC(CC)C[N@@H+](CC)C[C@@H](O)CC(C)(C)C#N ZINC000598590226 347667763 /nfs/dbraw/zinc/66/77/63/347667763.db2.gz SDPXOLLCUZHSFV-AWEZNQCLSA-N 1 1 254.418 3.045 20 30 CGEDMO CC(C)C[C@@H]1CCCC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598598373 347669245 /nfs/dbraw/zinc/66/92/45/347669245.db2.gz QKTYUVYLYHWBTG-GJZGRUSLSA-N 1 1 266.429 3.188 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC000598601129 347669920 /nfs/dbraw/zinc/66/99/20/347669920.db2.gz ZNPQZRRXUXRLJG-HNNXBMFYSA-N 1 1 286.419 3.081 20 30 CGEDMO CC(C)(C)[C@@H]1CCC[N@@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598611319 347671657 /nfs/dbraw/zinc/67/16/57/347671657.db2.gz MHXZLUNLNZGBRP-ZIAGYGMSSA-N 1 1 266.429 3.045 20 30 CGEDMO C[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000598623098 347672118 /nfs/dbraw/zinc/67/21/18/347672118.db2.gz VBTQNDQKDIGSAS-ILXRZTDVSA-N 1 1 280.456 3.434 20 30 CGEDMO N#CCc1cccc2c1CC[N@H+](Cc1ccc(C#N)s1)C2 ZINC000599679349 347764849 /nfs/dbraw/zinc/76/48/49/347764849.db2.gz YLWJHZHCWXTKBV-UHFFFAOYSA-N 1 1 293.395 3.244 20 30 CGEDMO N#CCc1cccc2c1CC[N@@H+](Cc1ccc(C#N)s1)C2 ZINC000599679349 347764855 /nfs/dbraw/zinc/76/48/55/347764855.db2.gz YLWJHZHCWXTKBV-UHFFFAOYSA-N 1 1 293.395 3.244 20 30 CGEDMO CCO[C@H](C[N@@H+](Cc1ccc(C#N)cc1)C1CC1)C1CC1 ZINC000599272940 347731333 /nfs/dbraw/zinc/73/13/33/347731333.db2.gz UEPHNXBCKWNIPU-GOSISDBHSA-N 1 1 284.403 3.338 20 30 CGEDMO Cc1ccc(C[N@H+]2CCOC[C@H]2CC(C)C)cc1C#N ZINC000599295031 347732903 /nfs/dbraw/zinc/73/29/03/347732903.db2.gz JKJUASOZRWYWJC-QGZVFWFLSA-N 1 1 272.392 3.114 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCOC[C@H]2CC(C)C)cc1C#N ZINC000599295031 347732906 /nfs/dbraw/zinc/73/29/06/347732906.db2.gz JKJUASOZRWYWJC-QGZVFWFLSA-N 1 1 272.392 3.114 20 30 CGEDMO Cc1ccc(C[N@H+]2CCCc3occc3C2)cc1C#N ZINC000599420185 347742882 /nfs/dbraw/zinc/74/28/82/347742882.db2.gz CYVBAWKFYZOHSO-UHFFFAOYSA-N 1 1 266.344 3.408 20 30 CGEDMO CCO[C@@H]1CC[N@@H+](Cc2ccc(C)c(C#N)c2)C[C@@H]1C ZINC000599434222 347744420 /nfs/dbraw/zinc/74/44/20/347744420.db2.gz VDZQIVSQLBQSPH-WMLDXEAASA-N 1 1 272.392 3.114 20 30 CGEDMO Cc1ccc(C[N@@H+]2CC3(CCCC3)OC[C@@H]2C)cc1C#N ZINC000599475433 347747442 /nfs/dbraw/zinc/74/74/42/347747442.db2.gz PGXSTNYXNSTKHM-HNNXBMFYSA-N 1 1 284.403 3.400 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000599512786 347749610 /nfs/dbraw/zinc/74/96/10/347749610.db2.gz MSNMFLJDIWUYBD-TXEJJXNPSA-N 1 1 294.345 3.290 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000599525911 347750543 /nfs/dbraw/zinc/75/05/43/347750543.db2.gz BJPPAXQHXWRDBL-CQSZACIVSA-N 1 1 260.337 3.035 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000599525933 347750751 /nfs/dbraw/zinc/75/07/51/347750751.db2.gz BYYDCESTHFRJLY-HNNXBMFYSA-N 1 1 270.376 3.225 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CCCC(=O)OC(C)(C)C)C1 ZINC000599529810 347751212 /nfs/dbraw/zinc/75/12/12/347751212.db2.gz QNDYMBHBIYAAIE-CYBMUJFWSA-N 1 1 253.386 3.006 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)ccc1F ZINC000599553355 347754307 /nfs/dbraw/zinc/75/43/07/347754307.db2.gz QGUNOLOPTVVYOS-KGLIPLIRSA-N 1 1 276.380 3.167 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599592383 347756892 /nfs/dbraw/zinc/75/68/92/347756892.db2.gz YMBBOEJTBASLKJ-ILXRZTDVSA-N 1 1 279.424 3.088 20 30 CGEDMO Cc1cc([NH+]2CCCC2)ccc1NC[C@@H](O)CC1(C#N)CC1 ZINC000600739156 347831315 /nfs/dbraw/zinc/83/13/15/347831315.db2.gz NBQGHAOHGNAGHG-INIZCTEOSA-N 1 1 299.418 3.062 20 30 CGEDMO N#CC1(CC[N@H+]2CCO[C@H](C(F)F)CC2)CCCCC1 ZINC000601975111 347931393 /nfs/dbraw/zinc/93/13/93/347931393.db2.gz LLRFHZYMZSAOSI-ZDUSSCGKSA-N 1 1 286.366 3.207 20 30 CGEDMO CC[N@H+](Cc1cccc2ncccc12)C[C@@H](C)C#N ZINC000602446660 347959233 /nfs/dbraw/zinc/95/92/33/347959233.db2.gz HCRBDGZOWXXJAN-ZDUSSCGKSA-N 1 1 253.349 3.216 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000602468377 347962827 /nfs/dbraw/zinc/96/28/27/347962827.db2.gz NDZFLURZENSPNT-GFCCVEGCSA-N 1 1 277.437 3.394 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000602468378 347963087 /nfs/dbraw/zinc/96/30/87/347963087.db2.gz NDZFLURZENSPNT-LBPRGKRZSA-N 1 1 277.437 3.394 20 30 CGEDMO CCCO[C@H]1CCC[N@@H+](C[C@H](C)CCC#N)CC1 ZINC000602474857 347964800 /nfs/dbraw/zinc/96/48/00/347964800.db2.gz ODVSORCJBPMZHW-CABCVRRESA-N 1 1 252.402 3.207 20 30 CGEDMO CO[C@]1(C)C[C@H]([N@@H+](C)C[C@@H](C)CCC#N)C1(C)C ZINC000602481677 347965687 /nfs/dbraw/zinc/96/56/87/347965687.db2.gz HMHXRUDQRWEIEJ-KCQAQPDRSA-N 1 1 252.402 3.062 20 30 CGEDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1cccc(C#N)n1 ZINC000602478106 347965831 /nfs/dbraw/zinc/96/58/31/347965831.db2.gz WJHDLLJCZXDQCB-RDTXWAMCSA-N 1 1 277.371 3.331 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCCC[C@H]1c1cccn1C ZINC000602485280 347967664 /nfs/dbraw/zinc/96/76/64/347967664.db2.gz RAYXYZSDURPZPU-HOCLYGCPSA-N 1 1 259.397 3.492 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCC[C@H]1CCO1 ZINC000602486562 347967888 /nfs/dbraw/zinc/96/78/88/347967888.db2.gz UPEHQJBIRLIAKN-KSZLIROESA-N 1 1 284.403 3.327 20 30 CGEDMO C[C@@H](CCC#N)C[NH2+][C@@H](C)c1noc(Cc2ccccc2)n1 ZINC000602573110 347986009 /nfs/dbraw/zinc/98/60/09/347986009.db2.gz NTIHNCXXZIBLGF-KBPBESRZSA-N 1 1 298.390 3.251 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1ccc2ccc(F)c(F)c2n1 ZINC000602607306 347992042 /nfs/dbraw/zinc/99/20/42/347992042.db2.gz IXKJUMLZYWVKMO-UHFFFAOYSA-N 1 1 275.302 3.152 20 30 CGEDMO Cc1cc(C)c2c(c1)C[N@@H+](Cc1cccc(C#N)n1)CC2 ZINC000602622358 347995900 /nfs/dbraw/zinc/99/59/00/347995900.db2.gz HBJZAAHKNSFJDO-UHFFFAOYSA-N 1 1 277.371 3.128 20 30 CGEDMO Cc1cc(C)c2c(c1)C[N@H+](Cc1cccc(C#N)n1)CC2 ZINC000602622358 347995904 /nfs/dbraw/zinc/99/59/04/347995904.db2.gz HBJZAAHKNSFJDO-UHFFFAOYSA-N 1 1 277.371 3.128 20 30 CGEDMO C[C@H](CCC#N)C[N@H+](CCN(C)C)Cc1ccccc1F ZINC000602659812 348003674 /nfs/dbraw/zinc/00/36/74/348003674.db2.gz SMVBMLIMWSEMKK-OAHLLOKOSA-N 1 1 291.414 3.129 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](CCN(C)C)Cc1ccccc1F ZINC000602659812 348003677 /nfs/dbraw/zinc/00/36/77/348003677.db2.gz SMVBMLIMWSEMKK-OAHLLOKOSA-N 1 1 291.414 3.129 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)n1 ZINC000602672266 348005836 /nfs/dbraw/zinc/00/58/36/348005836.db2.gz XTDPZMBMWYRHQQ-MRXNPFEDSA-N 1 1 277.371 3.333 20 30 CGEDMO N#CCC1(C[N@@H+](Cc2cccc(O)c2)CC2CC2)CC1 ZINC000602786139 348029053 /nfs/dbraw/zinc/02/90/53/348029053.db2.gz NJMJPGAZHJWXEU-UHFFFAOYSA-N 1 1 270.376 3.298 20 30 CGEDMO C[C@]1(c2cccc(F)c2)CC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602700721 348012631 /nfs/dbraw/zinc/01/26/31/348012631.db2.gz VTHXMSLXAKJDOP-SFHVURJKSA-N 1 1 295.361 3.256 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000602709379 348014044 /nfs/dbraw/zinc/01/40/44/348014044.db2.gz SOHFINYTLDMDAS-CQSZACIVSA-N 1 1 265.360 3.360 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](O)C[C@H]2c2ccccc2)s1 ZINC000602730309 348020188 /nfs/dbraw/zinc/02/01/88/348020188.db2.gz FIRHVHAFKZILAM-YOEHRIQHSA-N 1 1 298.411 3.318 20 30 CGEDMO N#Cc1ccc(C[NH+]2CCC(Cc3nccs3)CC2)o1 ZINC000602735259 348021840 /nfs/dbraw/zinc/02/18/40/348021840.db2.gz VKFUTQPZVSTFGF-UHFFFAOYSA-N 1 1 287.388 3.062 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](C3CCC3)CC2)n1 ZINC000602743741 348022901 /nfs/dbraw/zinc/02/29/01/348022901.db2.gz ZYPKSARDPZXSLU-HNNXBMFYSA-N 1 1 269.392 3.355 20 30 CGEDMO CCCC[N@@H+](C)CC1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602764763 348025690 /nfs/dbraw/zinc/02/56/90/348025690.db2.gz IUQTTXWEOMSMGM-UHFFFAOYSA-N 1 1 277.456 3.124 20 30 CGEDMO CC[C@H]([NH2+]Cc1cccc(C#N)n1)c1ccc(F)cc1F ZINC000602556177 347981286 /nfs/dbraw/zinc/98/12/86/347981286.db2.gz IZFAQNUZFIKSBK-INIZCTEOSA-N 1 1 287.313 3.472 20 30 CGEDMO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CC1(CC#N)CC1 ZINC000602792655 348030642 /nfs/dbraw/zinc/03/06/42/348030642.db2.gz KGQRUTIMYISZTK-MRXNPFEDSA-N 1 1 294.402 3.404 20 30 CGEDMO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1CC1(CC#N)CC1 ZINC000602792655 348030645 /nfs/dbraw/zinc/03/06/45/348030645.db2.gz KGQRUTIMYISZTK-MRXNPFEDSA-N 1 1 294.402 3.404 20 30 CGEDMO C[C@@H](C[N@@H+](CC1(CC#N)CC1)[C@@H](C)CO)c1ccccc1 ZINC000602831480 348034710 /nfs/dbraw/zinc/03/47/10/348034710.db2.gz XVDUSDZOGNQJMD-HOTGVXAUSA-N 1 1 286.419 3.167 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602886094 348041066 /nfs/dbraw/zinc/04/10/66/348041066.db2.gz GNTVMZRLGFKZDO-ZFWWWQNUSA-N 1 1 280.375 3.111 20 30 CGEDMO COc1cccc(SCC[N@H+](C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000602982488 348052448 /nfs/dbraw/zinc/05/24/48/348052448.db2.gz TWDCMBYSMBSNMG-XJKSGUPXSA-N 1 1 290.432 3.411 20 30 CGEDMO COc1cccc(SCC[N@@H+](C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000602982488 348052450 /nfs/dbraw/zinc/05/24/50/348052450.db2.gz TWDCMBYSMBSNMG-XJKSGUPXSA-N 1 1 290.432 3.411 20 30 CGEDMO CC(C)(C#N)CC[NH2+][C@H](CF)c1ccc(F)cc1 ZINC000603017575 348054653 /nfs/dbraw/zinc/05/46/53/348054653.db2.gz IVAFHBCSSGXRSR-CYBMUJFWSA-N 1 1 252.308 3.366 20 30 CGEDMO C=CCNC(=O)C[N@@H+]1CCCCC[C@H]1c1cccc(C)c1 ZINC000605156971 348149561 /nfs/dbraw/zinc/14/95/61/348149561.db2.gz AXTUHIMHHQADFA-KRWDZBQOSA-N 1 1 286.419 3.214 20 30 CGEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000606902617 348206813 /nfs/dbraw/zinc/20/68/13/348206813.db2.gz GEPZGGNNIBIDPT-UHFFFAOYSA-N 1 1 278.371 3.442 20 30 CGEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccnc(C#N)c2)cc1 ZINC000610991929 348414088 /nfs/dbraw/zinc/41/40/88/348414088.db2.gz URWKGYSBTSUAHJ-SFHVURJKSA-N 1 1 293.370 3.299 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)Cc1ccnc(C#N)c1 ZINC000610991952 348414113 /nfs/dbraw/zinc/41/41/13/348414113.db2.gz XGZNBDWJNXNYOJ-UHFFFAOYSA-N 1 1 277.371 3.184 20 30 CGEDMO CC[N@@H+](Cc1ccnc(C#N)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000610991601 348414340 /nfs/dbraw/zinc/41/43/40/348414340.db2.gz OCOBNHYYBFLKIY-CQSZACIVSA-N 1 1 290.370 3.408 20 30 CGEDMO CCCCC[C@H]1CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610994157 348415961 /nfs/dbraw/zinc/41/59/61/348415961.db2.gz ORZVRHHEWNUNDZ-INIZCTEOSA-N 1 1 257.381 3.498 20 30 CGEDMO CCCCC[C@@H]1CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610994160 348416274 /nfs/dbraw/zinc/41/62/74/348416274.db2.gz ORZVRHHEWNUNDZ-MRXNPFEDSA-N 1 1 257.381 3.498 20 30 CGEDMO C[N@H+](Cc1[nH]nc2ccccc21)Cc1cccc(C#N)c1 ZINC000611254319 348432023 /nfs/dbraw/zinc/43/20/23/348432023.db2.gz FCDWMQCBWJJENB-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO C[N@@H+](Cc1[nH]nc2ccccc21)Cc1cccc(C#N)c1 ZINC000611254319 348432026 /nfs/dbraw/zinc/43/20/26/348432026.db2.gz FCDWMQCBWJJENB-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCc2ccc(O)cc2CC1 ZINC000611266600 348433615 /nfs/dbraw/zinc/43/36/15/348433615.db2.gz NDOJEROLEDMQDK-UHFFFAOYSA-N 1 1 272.392 3.123 20 30 CGEDMO C[C@H](C#N)C[N@H+](C[C@H]1CCOc2ccccc21)C1CC1 ZINC000611276076 348434203 /nfs/dbraw/zinc/43/42/03/348434203.db2.gz HVMLACKDRGPHFX-ZIAGYGMSSA-N 1 1 270.376 3.177 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C[C@H]1CCOc2ccccc21)C1CC1 ZINC000611276076 348434205 /nfs/dbraw/zinc/43/42/05/348434205.db2.gz HVMLACKDRGPHFX-ZIAGYGMSSA-N 1 1 270.376 3.177 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1cccc(C#N)c1 ZINC000611387564 348443398 /nfs/dbraw/zinc/44/33/98/348443398.db2.gz CGABURHBIGMRCU-NSHDSACASA-N 1 1 299.305 3.456 20 30 CGEDMO CC[C@H]1CN(C)c2ccccc2C[N@H+]1CC1(C#N)CC1 ZINC000611430302 348451436 /nfs/dbraw/zinc/45/14/36/348451436.db2.gz WQBDBKTVFMZQHQ-HNNXBMFYSA-N 1 1 269.392 3.021 20 30 CGEDMO N#CC1(C[NH+]2CCC(OCc3ccccc3F)CC2)CC1 ZINC000611432931 348451796 /nfs/dbraw/zinc/45/17/96/348451796.db2.gz ZLYUZKROXYXEHD-UHFFFAOYSA-N 1 1 288.366 3.110 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](CCCOCCc2ccccc2)C1 ZINC000612162540 348498467 /nfs/dbraw/zinc/49/84/67/348498467.db2.gz HYRSTBCJLHSJES-GOSISDBHSA-N 1 1 286.419 3.261 20 30 CGEDMO C[C@]1(C#N)CCC[N@H+](CCCOc2ccc(F)cc2)C1 ZINC000612167870 348498957 /nfs/dbraw/zinc/49/89/57/348498957.db2.gz XYKVMJCMWVEGMO-MRXNPFEDSA-N 1 1 276.355 3.220 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](CCCOc2ccc(F)cc2)C1 ZINC000612167870 348498961 /nfs/dbraw/zinc/49/89/61/348498961.db2.gz XYKVMJCMWVEGMO-MRXNPFEDSA-N 1 1 276.355 3.220 20 30 CGEDMO C[C@@H](C#N)C[NH2+]Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000612586566 348531093 /nfs/dbraw/zinc/53/10/93/348531093.db2.gz OQNLMWJXHIQEQV-LBPRGKRZSA-N 1 1 294.358 3.083 20 30 CGEDMO CCC[N@@H+](CCc1cccs1)Cc1ccnc(C#N)c1 ZINC000613385782 348595446 /nfs/dbraw/zinc/59/54/46/348595446.db2.gz KPCKWXUTDJJYDT-UHFFFAOYSA-N 1 1 285.416 3.469 20 30 CGEDMO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614160056 348653239 /nfs/dbraw/zinc/65/32/39/348653239.db2.gz LVPDHCNXJXYEPX-KGLIPLIRSA-N 1 1 272.392 3.097 20 30 CGEDMO CN(C)[C@H]1CCC[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614166922 348654290 /nfs/dbraw/zinc/65/42/90/348654290.db2.gz ZKNRHYDCAAYJDL-KRWDZBQOSA-N 1 1 285.435 3.014 20 30 CGEDMO CN(C)[C@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614166922 348654291 /nfs/dbraw/zinc/65/42/91/348654291.db2.gz ZKNRHYDCAAYJDL-KRWDZBQOSA-N 1 1 285.435 3.014 20 30 CGEDMO COC[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614166961 348654599 /nfs/dbraw/zinc/65/45/99/348654599.db2.gz QDFZEFMPYWKMNT-MRXNPFEDSA-N 1 1 286.419 3.346 20 30 CGEDMO C[N@H+]1CCN(Cc2ccc(C(C)(C)C#N)cc2)C(C)(C)C1 ZINC000614176801 348655543 /nfs/dbraw/zinc/65/55/43/348655543.db2.gz JGRNYBIEHZLHKW-UHFFFAOYSA-N 1 1 285.435 3.014 20 30 CGEDMO CN1CC[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C(C)(C)C1 ZINC000614176801 348655545 /nfs/dbraw/zinc/65/55/45/348655545.db2.gz JGRNYBIEHZLHKW-UHFFFAOYSA-N 1 1 285.435 3.014 20 30 CGEDMO CN1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C(C)(C)C1 ZINC000614176801 348655547 /nfs/dbraw/zinc/65/55/47/348655547.db2.gz JGRNYBIEHZLHKW-UHFFFAOYSA-N 1 1 285.435 3.014 20 30 CGEDMO N#CCCC[N@H+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000614235834 348661332 /nfs/dbraw/zinc/66/13/32/348661332.db2.gz JNCMFILCHSIWHC-OAHLLOKOSA-N 1 1 282.391 3.052 20 30 CGEDMO CC[C@H]([NH2+]Cc1ccc(C#N)cn1)c1cccc([N+](=O)[O-])c1 ZINC000615092250 348713430 /nfs/dbraw/zinc/71/34/30/348713430.db2.gz QNXPMOCTWZVJDR-INIZCTEOSA-N 1 1 296.330 3.102 20 30 CGEDMO Cc1ncc([C@@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)c(C)n1 ZINC000614493832 348680439 /nfs/dbraw/zinc/68/04/39/348680439.db2.gz QGORTWGYXOYTBP-CYBMUJFWSA-N 1 1 280.375 3.158 20 30 CGEDMO CC(C)(O)C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)C1CC1 ZINC000614587630 348684687 /nfs/dbraw/zinc/68/46/87/348684687.db2.gz YRVWPBDAHSANEA-UHFFFAOYSA-N 1 1 286.419 3.223 20 30 CGEDMO CO[C@@H]1CCC[N@H+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000615446139 348740141 /nfs/dbraw/zinc/74/01/41/348740141.db2.gz LHLAPIISJTXHOF-XJKSGUPXSA-N 1 1 258.365 3.120 20 30 CGEDMO CC[N@H+](Cc1ccoc1)Cc1ccc(C#N)c(F)c1 ZINC000616751341 348878020 /nfs/dbraw/zinc/87/80/20/348878020.db2.gz VYEGVNSUCUFMTR-UHFFFAOYSA-N 1 1 258.296 3.312 20 30 CGEDMO CC[N@@H+](Cc1ccoc1)Cc1ccc(C#N)c(F)c1 ZINC000616751341 348878024 /nfs/dbraw/zinc/87/80/24/348878024.db2.gz VYEGVNSUCUFMTR-UHFFFAOYSA-N 1 1 258.296 3.312 20 30 CGEDMO C[C@H](NCC[N@H+]1CCC[C@H](C)C1)c1ccc(C#N)cc1F ZINC000358571628 233156493 /nfs/dbraw/zinc/15/64/93/233156493.db2.gz OWECOJXHNNMJBZ-KBPBESRZSA-N 1 1 289.398 3.080 20 30 CGEDMO C[C@H]([NH2+]CCN1CCC[C@H](C)C1)c1ccc(C#N)cc1F ZINC000358571628 233156498 /nfs/dbraw/zinc/15/64/98/233156498.db2.gz OWECOJXHNNMJBZ-KBPBESRZSA-N 1 1 289.398 3.080 20 30 CGEDMO C[C@H](NCC[N@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1F ZINC000358571168 233157383 /nfs/dbraw/zinc/15/73/83/233157383.db2.gz OMVWELWHOIWIEW-KBPBESRZSA-N 1 1 289.398 3.222 20 30 CGEDMO C[C@H]([NH2+]CCN1CCCC[C@@H]1C)c1ccc(C#N)cc1F ZINC000358571168 233157386 /nfs/dbraw/zinc/15/73/86/233157386.db2.gz OMVWELWHOIWIEW-KBPBESRZSA-N 1 1 289.398 3.222 20 30 CGEDMO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000618741284 349151868 /nfs/dbraw/zinc/15/18/68/349151868.db2.gz DBOQHDVLBPXNRX-CQSZACIVSA-N 1 1 299.355 3.305 20 30 CGEDMO C[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccsc1 ZINC000619620017 349263220 /nfs/dbraw/zinc/26/32/20/349263220.db2.gz KUNCBGZGGNFEPU-UHFFFAOYSA-N 1 1 278.421 3.280 20 30 CGEDMO N#C[C@@H]1CC[C@@H](N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000619672775 349268897 /nfs/dbraw/zinc/26/88/97/349268897.db2.gz ZCKHPFPJLWQDJR-QRQLOZEOSA-N 1 1 297.446 3.495 20 30 CGEDMO C=CC[N@H+](Cc1cccnc1C(F)(F)F)[C@@H](C)COC ZINC000625530672 350181642 /nfs/dbraw/zinc/18/16/42/350181642.db2.gz RQFPILRHZRMRSS-NSHDSACASA-N 1 1 288.313 3.123 20 30 CGEDMO C=CC[N@@H+](Cc1cccnc1C(F)(F)F)[C@@H](C)COC ZINC000625530672 350181644 /nfs/dbraw/zinc/18/16/44/350181644.db2.gz RQFPILRHZRMRSS-NSHDSACASA-N 1 1 288.313 3.123 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CC(=O)N(C(C)C)C2CCCC2)C1 ZINC000625699519 350197699 /nfs/dbraw/zinc/19/76/99/350197699.db2.gz ADZQEYRWCMJLQG-HNNXBMFYSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(F)cc3c2OCOC3)C1 ZINC000625703240 350199824 /nfs/dbraw/zinc/19/98/24/350199824.db2.gz ZJKAOWPNJOKDPX-GFCCVEGCSA-N 1 1 277.339 3.090 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2csc(CCC)n2)C1 ZINC000625702893 350199903 /nfs/dbraw/zinc/19/99/03/350199903.db2.gz JNTDNSROHCYPDL-GFCCVEGCSA-N 1 1 250.411 3.494 20 30 CGEDMO N#CCCCC[N@@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625800574 350215576 /nfs/dbraw/zinc/21/55/76/350215576.db2.gz XTMTZECQUHHDAE-GOSISDBHSA-N 1 1 298.386 3.180 20 30 CGEDMO CC#CCC[N@@H+]1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC000626126750 350267179 /nfs/dbraw/zinc/26/71/79/350267179.db2.gz WJDTYVGJJCGHCG-CQSZACIVSA-N 1 1 261.340 3.037 20 30 CGEDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)Nc1snc(Cl)c1C#N ZINC000271354506 191092400 /nfs/dbraw/zinc/09/24/00/191092400.db2.gz TZLGPOAGFCGWLP-UWVGGRQHSA-N 1 1 298.843 3.200 20 30 CGEDMO C=CC(C)(C)CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000628314663 350496444 /nfs/dbraw/zinc/49/64/44/350496444.db2.gz IMDQLMQDWQULMT-OAHLLOKOSA-N 1 1 274.408 3.008 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(O[C@@H](C)COC)cc2)C1 ZINC000628406711 350529413 /nfs/dbraw/zinc/52/94/13/350529413.db2.gz PCNFWBMVEPTQPM-JKSUJKDBSA-N 1 1 289.419 3.498 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2c(C)cc(OC)nc2C)C1 ZINC000628406315 350529462 /nfs/dbraw/zinc/52/94/62/350529462.db2.gz HJKJTYIPQUAYHN-CQSZACIVSA-N 1 1 260.381 3.105 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(F)c(OC)cc2OC)C1 ZINC000628406246 350529512 /nfs/dbraw/zinc/52/95/12/350529512.db2.gz FPKRDCIDGULTMN-GFCCVEGCSA-N 1 1 279.355 3.241 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000628406196 350529799 /nfs/dbraw/zinc/52/97/99/350529799.db2.gz DOCGEPCPHLBPMZ-HNNXBMFYSA-N 1 1 299.393 3.469 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000630851751 350899050 /nfs/dbraw/zinc/89/90/50/350899050.db2.gz CVXSYUBBUNXFFM-XHSDSOJGSA-N 1 1 290.451 3.207 20 30 CGEDMO CSCC[C@@H](C)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000134851181 187775187 /nfs/dbraw/zinc/77/51/87/187775187.db2.gz QEDOTOVDYOGAST-LLVKDONJSA-N 1 1 266.385 3.271 20 30 CGEDMO CC#CCC[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000155024097 188177614 /nfs/dbraw/zinc/17/76/14/188177614.db2.gz CJTDLOSZKBOJHR-UHFFFAOYSA-N 1 1 253.292 3.133 20 30 CGEDMO CC#CCC[N@H+](C)Cc1cc(OC)c(OC)cc1SC ZINC000155772515 188226558 /nfs/dbraw/zinc/22/65/58/188226558.db2.gz KCGNAAKDGOEIAI-UHFFFAOYSA-N 1 1 293.432 3.271 20 30 CGEDMO CCC[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000156701761 188277420 /nfs/dbraw/zinc/27/74/20/188277420.db2.gz BEQBYHXUMGNALM-RDJZCZTQSA-N 1 1 272.392 3.104 20 30 CGEDMO C[C@H]1CC(C)(C)C[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000412041538 235114134 /nfs/dbraw/zinc/11/41/34/235114134.db2.gz LQRFJCWDPHSSKH-ZDUSSCGKSA-N 1 1 285.391 3.007 20 30 CGEDMO C[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1cccc(C#N)c1 ZINC000271885166 191390311 /nfs/dbraw/zinc/39/03/11/191390311.db2.gz QMJZLSYTEUJDRN-NHYWBVRUSA-N 1 1 266.348 3.010 20 30 CGEDMO COCC[N@H+](Cc1ccoc1C)Cc1ccc(C#N)cc1 ZINC000414376049 235398452 /nfs/dbraw/zinc/39/84/52/235398452.db2.gz YYKSCLVFSXEXTP-UHFFFAOYSA-N 1 1 284.359 3.108 20 30 CGEDMO COCC[N@@H+](Cc1ccoc1C)Cc1ccc(C#N)cc1 ZINC000414376049 235398455 /nfs/dbraw/zinc/39/84/55/235398455.db2.gz YYKSCLVFSXEXTP-UHFFFAOYSA-N 1 1 284.359 3.108 20 30 CGEDMO N#Cc1ccc(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)o1 ZINC000092435565 283138735 /nfs/dbraw/zinc/13/87/35/283138735.db2.gz VEWRNFWMCCVBRD-QGZVFWFLSA-N 1 1 296.370 3.332 20 30 CGEDMO N#Cc1ccc(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)o1 ZINC000092435565 283138736 /nfs/dbraw/zinc/13/87/36/283138736.db2.gz VEWRNFWMCCVBRD-QGZVFWFLSA-N 1 1 296.370 3.332 20 30 CGEDMO N#Cc1ccc2c(c1)[C@@H](N[C@H](C[NH3+])C1CCCCC1)CC2 ZINC000423265730 283197397 /nfs/dbraw/zinc/19/73/97/283197397.db2.gz RGJIRTHPURBNII-ZWKOTPCHSA-N 1 1 283.419 3.043 20 30 CGEDMO C[C@@H]1CC[C@H](C)C[N@@H+]1CCOc1cccc(C#N)c1 ZINC000088704476 138342594 /nfs/dbraw/zinc/34/25/94/138342594.db2.gz KJKBBMCCDUXLMY-UONOGXRCSA-N 1 1 258.365 3.057 20 30 CGEDMO C[C@@H]1CC[C@@H](C)[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000088704579 138342703 /nfs/dbraw/zinc/34/27/03/138342703.db2.gz OJCKWXHGJULAAU-ZIAGYGMSSA-N 1 1 285.391 3.007 20 30 CGEDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000124219689 138373292 /nfs/dbraw/zinc/37/32/92/138373292.db2.gz ALFZFJVTYZHXFC-RHSMWYFYSA-N 1 1 272.392 3.074 20 30 CGEDMO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000126201207 138385290 /nfs/dbraw/zinc/38/52/90/138385290.db2.gz CXBYHSBKBYRIET-LJQANCHMSA-N 1 1 292.382 3.440 20 30 CGEDMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000126201207 138385291 /nfs/dbraw/zinc/38/52/91/138385291.db2.gz CXBYHSBKBYRIET-LJQANCHMSA-N 1 1 292.382 3.440 20 30 CGEDMO N#Cc1csc(C[NH2+][C@H]2CCCc3c(F)cccc32)n1 ZINC000335357347 283247835 /nfs/dbraw/zinc/24/78/35/283247835.db2.gz AWNGDXIZXRFFRT-AWEZNQCLSA-N 1 1 287.363 3.321 20 30 CGEDMO N#Cc1csc(C[NH2+][C@H]2C[C@@]2(F)c2ccccc2)c1 ZINC000424190288 236131396 /nfs/dbraw/zinc/13/13/96/236131396.db2.gz FTFMMTAJSJEOKK-LSDHHAIUSA-N 1 1 272.348 3.347 20 30 CGEDMO COc1ccnc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425530927 236257666 /nfs/dbraw/zinc/25/76/66/236257666.db2.gz GHHINXHVGJIABK-CYBMUJFWSA-N 1 1 281.359 3.155 20 30 CGEDMO COc1ccnc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425530927 236257667 /nfs/dbraw/zinc/25/76/67/236257667.db2.gz GHHINXHVGJIABK-CYBMUJFWSA-N 1 1 281.359 3.155 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CCSC1 ZINC000425366300 236238212 /nfs/dbraw/zinc/23/82/12/236238212.db2.gz PEJSAWSYVSKIGW-OCCSQVGLSA-N 1 1 260.406 3.304 20 30 CGEDMO Cc1cccnc1C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425367034 236238945 /nfs/dbraw/zinc/23/89/45/236238945.db2.gz RPOLJDZJCSFJOA-AWEZNQCLSA-N 1 1 265.360 3.455 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3ccncc3)CC2)cc1 ZINC000335938218 212725553 /nfs/dbraw/zinc/72/55/53/212725553.db2.gz NYOIDHIAHMMHFL-UHFFFAOYSA-N 1 1 275.355 3.243 20 30 CGEDMO C[C@@H]([NH2+]Cc1cn2ccsc2n1)c1cccc(C#N)c1 ZINC000341792358 216105200 /nfs/dbraw/zinc/10/52/00/216105200.db2.gz UECPOMXTIJVTEZ-LLVKDONJSA-N 1 1 282.372 3.118 20 30 CGEDMO C[C@]12CC[N@H+](Cc3ccc(C#N)cc3F)C[C@H]1C2(F)F ZINC000298300621 200387931 /nfs/dbraw/zinc/38/79/31/200387931.db2.gz POTUHGKOHLNIEI-KGLIPLIRSA-N 1 1 280.293 3.174 20 30 CGEDMO C[C@]12CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]1C2(F)F ZINC000298300621 200387932 /nfs/dbraw/zinc/38/79/32/200387932.db2.gz POTUHGKOHLNIEI-KGLIPLIRSA-N 1 1 280.293 3.174 20 30 CGEDMO CC(C)(C)CC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000341808758 216113997 /nfs/dbraw/zinc/11/39/97/216113997.db2.gz LWQJORHWKVSJPC-INIZCTEOSA-N 1 1 272.392 3.368 20 30 CGEDMO C[C@@H]1CCC[N@@H+](C(C)(C)CNCc2ccc(C#N)s2)C1 ZINC000176954062 189017013 /nfs/dbraw/zinc/01/70/13/189017013.db2.gz SJGBAIIGVAXDNE-CYBMUJFWSA-N 1 1 291.464 3.220 20 30 CGEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNCc2ccc(C#N)s2)C1 ZINC000176954062 189017014 /nfs/dbraw/zinc/01/70/14/189017014.db2.gz SJGBAIIGVAXDNE-CYBMUJFWSA-N 1 1 291.464 3.220 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000176982464 189018698 /nfs/dbraw/zinc/01/86/98/189018698.db2.gz GXMOKOHKMFBKHC-UHFFFAOYSA-N 1 1 275.308 3.134 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000178035756 189086929 /nfs/dbraw/zinc/08/69/29/189086929.db2.gz FJJIBOUQCUEVHL-CYBMUJFWSA-N 1 1 298.770 3.007 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000178035756 189086930 /nfs/dbraw/zinc/08/69/30/189086930.db2.gz FJJIBOUQCUEVHL-CYBMUJFWSA-N 1 1 298.770 3.007 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@H]2CCCOc3cc(F)ccc32)o1 ZINC000181033660 189286599 /nfs/dbraw/zinc/28/65/99/189286599.db2.gz BXENJWUAPBCTOZ-HNNXBMFYSA-N 1 1 286.306 3.294 20 30 CGEDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000119396196 370672335 /nfs/dbraw/zinc/67/23/35/370672335.db2.gz FGNBDNIWWIJSTD-ZDUSSCGKSA-N 1 1 298.361 3.466 20 30 CGEDMO CC[N@H+]1CCCC[C@@H]1CNc1ccc(C#N)c(Cl)c1 ZINC000301544717 201060558 /nfs/dbraw/zinc/06/05/58/201060558.db2.gz OONYUTDFZXXYPD-CQSZACIVSA-N 1 1 277.799 3.498 20 30 CGEDMO CC[N@H+]1CCCC[C@H]1CNc1ccc2cc(C#N)ccc2n1 ZINC000301969821 201281883 /nfs/dbraw/zinc/28/18/83/201281883.db2.gz CHSZHKDGOKUQML-INIZCTEOSA-N 1 1 294.402 3.393 20 30 CGEDMO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)CCC(C)(C)C#N ZINC000119999427 370730022 /nfs/dbraw/zinc/73/00/22/370730022.db2.gz KBWICVHXMGKLNA-CJNGLKHVSA-N 1 1 272.392 3.250 20 30 CGEDMO CS[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000451319402 240272942 /nfs/dbraw/zinc/27/29/42/240272942.db2.gz HVMJMHBPJJRAHC-GFCCVEGCSA-N 1 1 298.358 3.097 20 30 CGEDMO CS[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000451319402 240272949 /nfs/dbraw/zinc/27/29/49/240272949.db2.gz HVMJMHBPJJRAHC-GFCCVEGCSA-N 1 1 298.358 3.097 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCSC[C@H]2C2CC2)ccc1F ZINC000451645343 240340978 /nfs/dbraw/zinc/34/09/78/240340978.db2.gz CZGATSGDWAXHIR-HNNXBMFYSA-N 1 1 276.380 3.025 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@]3(CCSC3)C2)c1 ZINC000451958687 240386211 /nfs/dbraw/zinc/38/62/11/240386211.db2.gz HVZBURMQIDHSEB-MRXNPFEDSA-N 1 1 290.407 3.416 20 30 CGEDMO COC[C@H]1CCC[N@H+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000452101717 240415515 /nfs/dbraw/zinc/41/55/15/240415515.db2.gz KBTMBNJPKSBMMW-GJZGRUSLSA-N 1 1 272.392 3.368 20 30 CGEDMO CCC[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000120857538 370807357 /nfs/dbraw/zinc/80/73/57/370807357.db2.gz QNPFQMIGUJXCFS-OAHLLOKOSA-N 1 1 299.418 3.399 20 30 CGEDMO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(F)c(F)c1 ZINC000121012648 260706651 /nfs/dbraw/zinc/70/66/51/260706651.db2.gz PFXDECIEHANAPF-GHMZBOCLSA-N 1 1 263.291 3.059 20 30 CGEDMO CCC[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000120978816 370818812 /nfs/dbraw/zinc/81/88/12/370818812.db2.gz CBNFWGMIQFOZMQ-CQSZACIVSA-N 1 1 285.391 3.009 20 30 CGEDMO C[C@@H]([NH2+]CC1(N(C)C)CCCC1)c1ccc(C#N)cc1F ZINC000358577792 296117955 /nfs/dbraw/zinc/11/79/55/296117955.db2.gz VGWJMYFTNMPHOO-CYBMUJFWSA-N 1 1 289.398 3.222 20 30 CGEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC(C#N)CC1 ZINC000123734728 370914895 /nfs/dbraw/zinc/91/48/95/370914895.db2.gz IPVBQJLTOXGZKU-UHFFFAOYSA-N 1 1 299.462 3.380 20 30 CGEDMO C=C[C@H](CC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccccc1 ZINC000124206452 370921646 /nfs/dbraw/zinc/92/16/46/370921646.db2.gz GWUADPXWYUGVJE-ZMSDIMECSA-N 1 1 298.430 3.088 20 30 CGEDMO CCCC[N@@H+](CC)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000019846843 368772903 /nfs/dbraw/zinc/77/29/03/368772903.db2.gz FFOMXGPQUTXASR-CYBMUJFWSA-N 1 1 273.380 3.007 20 30 CGEDMO CCCC[N@@H+](CC)CCC(=O)Nc1ccc(C#N)cc1 ZINC000019846846 368773020 /nfs/dbraw/zinc/77/30/20/368773020.db2.gz AFQXFDIJZAAHPN-UHFFFAOYSA-N 1 1 273.380 3.009 20 30 CGEDMO CCCC[N@@H+](CC)CCC(=O)Nc1ccccc1C#N ZINC000019846834 368773223 /nfs/dbraw/zinc/77/32/23/368773223.db2.gz HIVBXZICDXOQAJ-UHFFFAOYSA-N 1 1 273.380 3.009 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1ccccc1)Cc1cccc(C#N)c1 ZINC000026328992 368856600 /nfs/dbraw/zinc/85/66/00/368856600.db2.gz PYRCWSNKIDMRRN-UHFFFAOYSA-N 1 1 293.370 3.019 20 30 CGEDMO CC[C@@H]1CCC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000036169527 369013241 /nfs/dbraw/zinc/01/32/41/369013241.db2.gz VRDQSGOXOJFNHY-CQSZACIVSA-N 1 1 258.365 3.059 20 30 CGEDMO C[C@H]([N@@H+](C)CCOc1cccc(C#N)c1)C(C)(C)C ZINC000042253314 369207715 /nfs/dbraw/zinc/20/77/15/369207715.db2.gz PLXSPTIRTLBJBN-ZDUSSCGKSA-N 1 1 260.381 3.303 20 30 CGEDMO CC[N@@H+](Cc1cccc(Br)c1)C[C@@H](C)C#N ZINC000044413225 369260826 /nfs/dbraw/zinc/26/08/26/369260826.db2.gz LUYPCFUDHMIHTJ-NSHDSACASA-N 1 1 281.197 3.431 20 30 CGEDMO CC[N@H+](Cc1cccc(Br)c1)C[C@@H](C)C#N ZINC000044413225 369260833 /nfs/dbraw/zinc/26/08/33/369260833.db2.gz LUYPCFUDHMIHTJ-NSHDSACASA-N 1 1 281.197 3.431 20 30 CGEDMO C[C@@H]1CCC[C@H]([N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000049011338 369381402 /nfs/dbraw/zinc/38/14/02/369381402.db2.gz IOLBALPSBZUJLI-COXVUDFISA-N 1 1 272.392 3.102 20 30 CGEDMO C[N@@H+](CCOc1cccc(C#N)c1)Cc1ccccc1F ZINC000048331272 369342095 /nfs/dbraw/zinc/34/20/95/369342095.db2.gz VCAPMCCUPJQBAT-UHFFFAOYSA-N 1 1 284.334 3.208 20 30 CGEDMO C[C@@H](C1CC1)[N@@H+](CCOc1cccc(C#N)c1)C1CC1 ZINC000051881926 369457317 /nfs/dbraw/zinc/45/73/17/369457317.db2.gz OSMOAMNQLWKBHH-ZDUSSCGKSA-N 1 1 270.376 3.200 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC000128985914 370970631 /nfs/dbraw/zinc/97/06/31/370970631.db2.gz OPYKVFYQCIWEER-KRWDZBQOSA-N 1 1 277.383 3.160 20 30 CGEDMO C[N@@H+](CCc1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000055022856 369509508 /nfs/dbraw/zinc/50/95/08/369509508.db2.gz HOXAQTJJYJJTRU-UHFFFAOYSA-N 1 1 268.335 3.372 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCOCC23CCC3)c1 ZINC000128223320 370961154 /nfs/dbraw/zinc/96/11/54/370961154.db2.gz XAMZFZJPPZKZRH-UHFFFAOYSA-N 1 1 273.376 3.006 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCOCC23CCC3)c1 ZINC000128223320 370961163 /nfs/dbraw/zinc/96/11/63/370961163.db2.gz XAMZFZJPPZKZRH-UHFFFAOYSA-N 1 1 273.376 3.006 20 30 CGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C(C)C)C1CC1 ZINC000061165606 369596746 /nfs/dbraw/zinc/59/67/46/369596746.db2.gz ZQZMYOKVGULLDQ-KRWDZBQOSA-N 1 1 289.419 3.028 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@@H](OCC(C)C)C1 ZINC000537724492 376197649 /nfs/dbraw/zinc/19/76/49/376197649.db2.gz CXPHJJWHWBLBAT-QGZVFWFLSA-N 1 1 289.419 3.498 20 30 CGEDMO C=CC[N@H+](CCOC(C)(C)C)Cc1cccc(C#N)c1 ZINC000063299692 369646547 /nfs/dbraw/zinc/64/65/47/369646547.db2.gz DMQLPXRUZPMZPL-UHFFFAOYSA-N 1 1 272.392 3.361 20 30 CGEDMO C=CC[N@@H+](Cc1nnc(C2CC2)n1C)CC1CCCCC1 ZINC000069859976 369773277 /nfs/dbraw/zinc/77/32/77/369773277.db2.gz UXXMRRAUXIVYRR-UHFFFAOYSA-N 1 1 288.439 3.261 20 30 CGEDMO C=CC[N@H+](Cc1nnc(C2CC2)n1C)CC1CCCCC1 ZINC000069859976 369773280 /nfs/dbraw/zinc/77/32/80/369773280.db2.gz UXXMRRAUXIVYRR-UHFFFAOYSA-N 1 1 288.439 3.261 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000072553313 369824557 /nfs/dbraw/zinc/82/45/57/369824557.db2.gz UYUMCXZLQNNGNK-UHFFFAOYSA-N 1 1 296.798 3.185 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000072553313 369824562 /nfs/dbraw/zinc/82/45/62/369824562.db2.gz UYUMCXZLQNNGNK-UHFFFAOYSA-N 1 1 296.798 3.185 20 30 CGEDMO CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000079054393 369959983 /nfs/dbraw/zinc/95/99/83/369959983.db2.gz FTBCMJKTSKISCS-AWEZNQCLSA-N 1 1 285.391 3.009 20 30 CGEDMO CN(C)c1cccc(C[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC000075596232 369913724 /nfs/dbraw/zinc/91/37/24/369913724.db2.gz SFASQTVSVASWNM-UHFFFAOYSA-N 1 1 279.387 3.256 20 30 CGEDMO C=CCCC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000076388175 369936915 /nfs/dbraw/zinc/93/69/15/369936915.db2.gz HPICNQZGBIRCCD-MRXNPFEDSA-N 1 1 286.419 3.076 20 30 CGEDMO CC[N@@H+](Cc1cccc(OCCCC#N)c1)C[C@@H](C)C#N ZINC000091982980 370083366 /nfs/dbraw/zinc/08/33/66/370083366.db2.gz ZWJREVQNYLGZES-HNNXBMFYSA-N 1 1 285.391 3.351 20 30 CGEDMO CC[N@H+](Cc1cccc(OCCCC#N)c1)C[C@@H](C)C#N ZINC000091982980 370083370 /nfs/dbraw/zinc/08/33/70/370083370.db2.gz ZWJREVQNYLGZES-HNNXBMFYSA-N 1 1 285.391 3.351 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1nc(C)ccc1O ZINC000092217488 370094814 /nfs/dbraw/zinc/09/48/14/370094814.db2.gz OWMNRRXQEXYSMP-UHFFFAOYSA-N 1 1 298.386 3.292 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000093638530 370149842 /nfs/dbraw/zinc/14/98/42/370149842.db2.gz XCPXFCMGNDHDHP-IBGZPJMESA-N 1 1 298.430 3.490 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CCCC[C@H]2C)c1C ZINC000098072025 370263058 /nfs/dbraw/zinc/26/30/58/370263058.db2.gz CJBVVHONOMYKNQ-CYBMUJFWSA-N 1 1 274.408 3.348 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCCC[C@H]2C)c1C ZINC000098072025 370263061 /nfs/dbraw/zinc/26/30/61/370263061.db2.gz CJBVVHONOMYKNQ-CYBMUJFWSA-N 1 1 274.408 3.348 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)CCCCCn1cccn1 ZINC000109813685 370365903 /nfs/dbraw/zinc/36/59/03/370365903.db2.gz PQVMSJYWKFXGER-UHFFFAOYSA-N 1 1 276.428 3.315 20 30 CGEDMO C[C@H](C/N=C/c1ccccc1O)[N@@H+](C)Cc1ccccc1 ZINC000110129361 370370530 /nfs/dbraw/zinc/37/05/30/370370530.db2.gz DATLVQBXYDYWPK-DQPIFXJKSA-N 1 1 282.387 3.332 20 30 CGEDMO CCC[N@H+](CCCC#N)CC(=O)Nc1ccc(Cl)cc1 ZINC000112350042 370423476 /nfs/dbraw/zinc/42/34/76/370423476.db2.gz GBVOHQFKMLMLOQ-UHFFFAOYSA-N 1 1 293.798 3.294 20 30 CGEDMO CCC[N@@H+](CCCC#N)CC(=O)Nc1ccc(Cl)cc1 ZINC000112350042 370423484 /nfs/dbraw/zinc/42/34/84/370423484.db2.gz GBVOHQFKMLMLOQ-UHFFFAOYSA-N 1 1 293.798 3.294 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](C3CC3)C2)c(F)c1 ZINC000344000193 217009593 /nfs/dbraw/zinc/00/95/93/217009593.db2.gz XAZQZDPCSQDDAT-AWEZNQCLSA-N 1 1 258.340 3.319 20 30 CGEDMO C=CC[N@H+](CCCCOC)Cc1cccc([N+](=O)[O-])c1 ZINC000117875123 370601393 /nfs/dbraw/zinc/60/13/93/370601393.db2.gz CDVFWMOKGXMMSJ-UHFFFAOYSA-N 1 1 278.352 3.009 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)[C@H]2CCOC2)cc1Cl ZINC000132026194 371146199 /nfs/dbraw/zinc/14/61/99/371146199.db2.gz IUJBDFOBQKRDDT-ZDUSSCGKSA-N 1 1 281.783 3.126 20 30 CGEDMO C=C(Br)C[N@@H+]1CCCC[C@@H](SC)C1 ZINC000134583257 371352020 /nfs/dbraw/zinc/35/20/20/371352020.db2.gz HSUBKSMDOARYRT-SNVBAGLBSA-N 1 1 264.232 3.113 20 30 CGEDMO C[C@H](c1cccs1)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000219961757 376206009 /nfs/dbraw/zinc/20/60/09/376206009.db2.gz LBUMSCOSIUMFRE-IUODEOHRSA-N 1 1 286.400 3.346 20 30 CGEDMO CCOC[C@@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135270965 371409491 /nfs/dbraw/zinc/40/94/91/371409491.db2.gz GWHXBVKRHMRVCT-OAHLLOKOSA-N 1 1 286.419 3.346 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](c2ccccc2OC)C1 ZINC000151169255 371578047 /nfs/dbraw/zinc/57/80/47/371578047.db2.gz OKNSEJBISWTCRN-LBPRGKRZSA-N 1 1 251.757 3.237 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](c2ccccc2OC)C1 ZINC000151169255 371578056 /nfs/dbraw/zinc/57/80/56/371578056.db2.gz OKNSEJBISWTCRN-LBPRGKRZSA-N 1 1 251.757 3.237 20 30 CGEDMO CC[C@H](CC#N)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289068349 371751007 /nfs/dbraw/zinc/75/10/07/371751007.db2.gz AYJPASYWPSDETR-RYQLBKOJSA-N 1 1 285.435 3.179 20 30 CGEDMO CCC[C@@H](C)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344067066 217035594 /nfs/dbraw/zinc/03/55/94/217035594.db2.gz ILSGVCIQLPPCRY-CQSZACIVSA-N 1 1 260.381 3.195 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000155799705 371945131 /nfs/dbraw/zinc/94/51/31/371945131.db2.gz LHVYCKNXKSOIND-QGZVFWFLSA-N 1 1 256.393 3.303 20 30 CGEDMO C[C@@H](c1cccnc1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344133846 217067549 /nfs/dbraw/zinc/06/75/49/217067549.db2.gz YNVXNTUUBXCAFG-HNNXBMFYSA-N 1 1 295.386 3.163 20 30 CGEDMO C=CCc1cc(C[N@H+]2CCC[C@H](C)C2)cc(OC)c1O ZINC000157684163 372033002 /nfs/dbraw/zinc/03/30/02/372033002.db2.gz YOGBQJCKJNIWDI-ZDUSSCGKSA-N 1 1 275.392 3.361 20 30 CGEDMO Clc1cccc(C#CC[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000157285414 372014099 /nfs/dbraw/zinc/01/40/99/372014099.db2.gz IBLKXOAYUXETCT-WBVHZDCISA-N 1 1 289.806 3.192 20 30 CGEDMO CC[N@H+](CCc1nccs1)Cc1cc(F)ccc1C#N ZINC000159190143 372115145 /nfs/dbraw/zinc/11/51/45/372115145.db2.gz JWXZNSVPJRTFPI-UHFFFAOYSA-N 1 1 289.379 3.218 20 30 CGEDMO CC[N@@H+](CCc1nccs1)Cc1cc(F)ccc1C#N ZINC000159190143 372115150 /nfs/dbraw/zinc/11/51/50/372115150.db2.gz JWXZNSVPJRTFPI-UHFFFAOYSA-N 1 1 289.379 3.218 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1 ZINC000290934825 372077665 /nfs/dbraw/zinc/07/76/65/372077665.db2.gz PFXGBGIRJYJTGI-QZTJIDSGSA-N 1 1 281.399 3.201 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1c(OC)cc(OC)cc1OC ZINC000159005511 372098357 /nfs/dbraw/zinc/09/83/57/372098357.db2.gz BDAZPSMKNOBKTB-UHFFFAOYSA-N 1 1 279.380 3.110 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+]2CC(C)(C)C[C@@H]2c2ccccc2)C1=O ZINC000425545253 372132422 /nfs/dbraw/zinc/13/24/22/372132422.db2.gz RUDWEPAHQUUJTN-DLBZAZTESA-N 1 1 298.430 3.247 20 30 CGEDMO CC1(C)[C@@H]2C[N@H+](CC#Cc3ccc(Cl)cc3)C[C@@H]21 ZINC000426451070 372159903 /nfs/dbraw/zinc/15/99/03/372159903.db2.gz PHJOTEAWCMYMGM-GASCZTMLSA-N 1 1 259.780 3.279 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1C[C@@H](C)CC1CCOCC1 ZINC000426574048 372165130 /nfs/dbraw/zinc/16/51/30/372165130.db2.gz TVFCLRWETVHWOT-HOCLYGCPSA-N 1 1 251.414 3.480 20 30 CGEDMO C[N@@H+](CCN1CCc2ccccc21)Cc1cccc(C#N)c1 ZINC000428455568 372207517 /nfs/dbraw/zinc/20/75/17/372207517.db2.gz JRHORJYVHCFCFO-UHFFFAOYSA-N 1 1 291.398 3.053 20 30 CGEDMO C[C@@H]1CN(c2cccc(F)c2C#N)CC[N@H+](C2CCC2)C1 ZINC000292443548 372192680 /nfs/dbraw/zinc/19/26/80/372192680.db2.gz YMCRDXGHAKBYKX-ZDUSSCGKSA-N 1 1 287.382 3.008 20 30 CGEDMO C[C@@H]1CN(c2ccc(Cl)c(F)c2)CC[N@H+]1CCCC#N ZINC000429000336 372300662 /nfs/dbraw/zinc/30/06/62/372300662.db2.gz WDHCOTYIXQJBEM-GFCCVEGCSA-N 1 1 295.789 3.293 20 30 CGEDMO C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(F)c(C#N)c1 ZINC000160563319 372258198 /nfs/dbraw/zinc/25/81/98/372258198.db2.gz IOFZWROPNSNCPD-UHFFFAOYSA-N 1 1 298.317 3.058 20 30 CGEDMO C=CCCCCC[N@@H+]1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000429026011 372307429 /nfs/dbraw/zinc/30/74/29/372307429.db2.gz JBTROOALOFHJSI-GVDBMIGSSA-N 1 1 264.457 3.395 20 30 CGEDMO C=CCCCCCN1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000429026011 372307434 /nfs/dbraw/zinc/30/74/34/372307434.db2.gz JBTROOALOFHJSI-GVDBMIGSSA-N 1 1 264.457 3.395 20 30 CGEDMO C=CCCCCCN1CC[N@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000429026011 372307439 /nfs/dbraw/zinc/30/74/39/372307439.db2.gz JBTROOALOFHJSI-GVDBMIGSSA-N 1 1 264.457 3.395 20 30 CGEDMO Cc1cccc(C)c1OCCC[N@@H+](C)[C@H](C)CC#N ZINC000161929321 372360457 /nfs/dbraw/zinc/36/04/57/372360457.db2.gz IHDNNRJOBYAPMW-OAHLLOKOSA-N 1 1 260.381 3.306 20 30 CGEDMO Cc1cccc(C)c1OCCC[N@H+](C)[C@H](C)CC#N ZINC000161929321 372360462 /nfs/dbraw/zinc/36/04/62/372360462.db2.gz IHDNNRJOBYAPMW-OAHLLOKOSA-N 1 1 260.381 3.306 20 30 CGEDMO CSC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000429284502 372337964 /nfs/dbraw/zinc/33/79/64/372337964.db2.gz MBNIRJLGVBKXFK-OAHLLOKOSA-N 1 1 274.433 3.442 20 30 CGEDMO CC[N@H+](Cc1ccc(O)c2nc(C)ccc12)C[C@H](C)C#N ZINC000429691330 372375707 /nfs/dbraw/zinc/37/57/07/372375707.db2.gz VYGVPSGGNSGQHZ-GFCCVEGCSA-N 1 1 283.375 3.230 20 30 CGEDMO CC(C)CCN(CCC#N)CC[N@@H+](C)Cc1ccccc1 ZINC000429689923 372375801 /nfs/dbraw/zinc/37/58/01/372375801.db2.gz HFPDLFITEHUDRZ-UHFFFAOYSA-N 1 1 287.451 3.380 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)Cc1ncc(-c2ccccc2)o1 ZINC000429728358 372377505 /nfs/dbraw/zinc/37/75/05/372377505.db2.gz FQHRNIJDHOXYET-UHFFFAOYSA-N 1 1 299.418 3.281 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)Cc1cccc(OC(C)C)c1 ZINC000429704625 372377515 /nfs/dbraw/zinc/37/75/15/372377515.db2.gz ATTLLXYVBCCQNF-UHFFFAOYSA-N 1 1 290.451 3.414 20 30 CGEDMO C=CC[N@@H+](C)CCN(CC)Cc1cccc(OC(C)C)c1 ZINC000429704625 372377518 /nfs/dbraw/zinc/37/75/18/372377518.db2.gz ATTLLXYVBCCQNF-UHFFFAOYSA-N 1 1 290.451 3.414 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)Cc1cccc(OC(C)C)c1 ZINC000429704625 372377520 /nfs/dbraw/zinc/37/75/20/372377520.db2.gz ATTLLXYVBCCQNF-UHFFFAOYSA-N 1 1 290.451 3.414 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000293489919 372394184 /nfs/dbraw/zinc/39/41/84/372394184.db2.gz YVNHUFKCROSDRU-HNAYVOBHSA-N 1 1 294.398 3.155 20 30 CGEDMO C=CCOCC[N@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000293501065 372395948 /nfs/dbraw/zinc/39/59/48/372395948.db2.gz NQJSOSMMZZWHGF-LLVKDONJSA-N 1 1 255.308 3.160 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)cc1 ZINC000293534065 372404980 /nfs/dbraw/zinc/40/49/80/372404980.db2.gz CEDASXWHWAPHFZ-GOSISDBHSA-N 1 1 281.399 3.059 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(C#N)cc1F ZINC000344353732 217164611 /nfs/dbraw/zinc/16/46/11/217164611.db2.gz QPSDVVJZHQVCTQ-SNVBAGLBSA-N 1 1 285.347 3.481 20 30 CGEDMO C=CCC(C)(C)C[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000293772847 372476633 /nfs/dbraw/zinc/47/66/33/372476633.db2.gz SHZJRKDWRAMFFI-CQSZACIVSA-N 1 1 270.380 3.086 20 30 CGEDMO C[N@H+](CCOCC1CC1)Cc1ccc(C#N)cc1Cl ZINC000162923957 372434579 /nfs/dbraw/zinc/43/45/79/372434579.db2.gz DWPPAEQSFXMKAG-UHFFFAOYSA-N 1 1 278.783 3.070 20 30 CGEDMO C[N@@H+](CCOCC1CC1)Cc1ccc(C#N)cc1Cl ZINC000162923957 372434583 /nfs/dbraw/zinc/43/45/83/372434583.db2.gz DWPPAEQSFXMKAG-UHFFFAOYSA-N 1 1 278.783 3.070 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@H]1c1ccc(OC)cc1 ZINC000293645167 372435050 /nfs/dbraw/zinc/43/50/50/372435050.db2.gz XRUKAFZBVHYDED-INIZCTEOSA-N 1 1 261.365 3.035 20 30 CGEDMO Cc1ccoc1C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000293893600 372514857 /nfs/dbraw/zinc/51/48/57/372514857.db2.gz ZGPCNFSKZDLQMS-NSHDSACASA-N 1 1 258.296 3.450 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)c1cc(C(=O)OC)c(C)o1 ZINC000432941665 372576850 /nfs/dbraw/zinc/57/68/50/372576850.db2.gz XAOSKTIWLZSGQZ-LLVKDONJSA-N 1 1 265.353 3.334 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(N(C)c2ccccc2)nc1 ZINC000437148906 372844314 /nfs/dbraw/zinc/84/43/14/372844314.db2.gz RVIQDXMWRLNODJ-UHFFFAOYSA-N 1 1 267.376 3.467 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000172178102 372920972 /nfs/dbraw/zinc/92/09/72/372920972.db2.gz VNDNITFOADIHAB-UHFFFAOYSA-N 1 1 264.325 3.001 20 30 CGEDMO C[C@H]1Cc2[nH+]cn(Cc3ccc(F)c(C#N)c3)c2C[C@@H]1C ZINC000295937715 372966364 /nfs/dbraw/zinc/96/63/64/372966364.db2.gz KTQBIEVPQMUWIM-RYUDHWBXSA-N 1 1 283.350 3.313 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCc2cc(OCCC)ccc2C1 ZINC000441086436 372998589 /nfs/dbraw/zinc/99/85/89/372998589.db2.gz NYIPDYIDMFEPGP-KRWDZBQOSA-N 1 1 289.419 3.161 20 30 CGEDMO C=C(C)C[N@H+](CC)CCOc1ccccc1OCC ZINC000441192238 373001212 /nfs/dbraw/zinc/00/12/12/373001212.db2.gz WYXHCHBHAKLKHU-UHFFFAOYSA-N 1 1 263.381 3.362 20 30 CGEDMO C=CC[NH+]1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000441342773 373002432 /nfs/dbraw/zinc/00/24/32/373002432.db2.gz FASROURGSJKUFO-ZDUSSCGKSA-N 1 1 264.800 3.205 20 30 CGEDMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441441942 373014332 /nfs/dbraw/zinc/01/43/32/373014332.db2.gz CIJZTWTXJIIKCZ-QWHCGFSZSA-N 1 1 296.374 3.229 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)c1 ZINC000443779163 373162056 /nfs/dbraw/zinc/16/20/56/373162056.db2.gz ILWJMDASALPRNN-DAYGRLMNSA-N 1 1 289.419 3.233 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H]1CCCc2nc(Cl)ccc21 ZINC000296660846 373213154 /nfs/dbraw/zinc/21/31/54/373213154.db2.gz FFXAPVKNOWTKQK-SNVBAGLBSA-N 1 1 257.164 3.455 20 30 CGEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC2(CCCC2)C1 ZINC000173821617 373196470 /nfs/dbraw/zinc/19/64/70/373196470.db2.gz WARNURNWHQFHHP-UHFFFAOYSA-N 1 1 297.402 3.153 20 30 CGEDMO C=CC[C@H]1[N@H+](CC(=O)N2CCCCC2)CCCC1(C)C ZINC000444781130 373272795 /nfs/dbraw/zinc/27/27/95/373272795.db2.gz GPNPVXFJJKAUOF-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO COC(=O)C1([NH2+]CCCCC(C)(C)C#N)CCC(C)CC1 ZINC000444677629 373232311 /nfs/dbraw/zinc/23/23/11/373232311.db2.gz PXFHHNHKHHOMLB-UHFFFAOYSA-N 1 1 294.439 3.418 20 30 CGEDMO CC(C)C[C@@H](CO)[N@@H+](C)CCCCC(C)(C)C#N ZINC000444676501 373232516 /nfs/dbraw/zinc/23/25/16/373232516.db2.gz QPIGVIFXFAYXBF-AWEZNQCLSA-N 1 1 254.418 3.045 20 30 CGEDMO CC(C)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000444749014 373259609 /nfs/dbraw/zinc/25/96/09/373259609.db2.gz OOCUKMUWJVECAI-INIZCTEOSA-N 1 1 299.418 3.255 20 30 CGEDMO CCC[C@]1(CO)CCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000444766765 373264441 /nfs/dbraw/zinc/26/44/41/373264441.db2.gz PDPYFXPTGKLCNA-QGZVFWFLSA-N 1 1 291.822 3.319 20 30 CGEDMO CCC[C@]1(COC)CCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000447396377 373432757 /nfs/dbraw/zinc/43/27/57/373432757.db2.gz LTLHTQYUNCECPN-QGZVFWFLSA-N 1 1 290.382 3.478 20 30 CGEDMO CCC[C@]1(COC)CCC[N@H+]1CC#Cc1ccccc1 ZINC000447395492 373432923 /nfs/dbraw/zinc/43/29/23/373432923.db2.gz SPSRSCNNRNANHD-GOSISDBHSA-N 1 1 271.404 3.319 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)N(CC)C1CCCCC1 ZINC000447976893 373534099 /nfs/dbraw/zinc/53/40/99/373534099.db2.gz MDAGCQFSMMFMAR-HNNXBMFYSA-N 1 1 280.456 3.454 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CCCCC1 ZINC000448723788 373636944 /nfs/dbraw/zinc/63/69/44/373636944.db2.gz IYDYTKMYMRQQTM-HOTGVXAUSA-N 1 1 290.451 3.256 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000448774707 373640249 /nfs/dbraw/zinc/64/02/49/373640249.db2.gz MGBPMUCPALFZFW-HOCLYGCPSA-N 1 1 286.419 3.150 20 30 CGEDMO N#Cc1ccc(NCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000301067185 373645816 /nfs/dbraw/zinc/64/58/16/373645816.db2.gz DORWKHSTDUZEED-UHFFFAOYSA-N 1 1 277.371 3.028 20 30 CGEDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@H](C)C2)ccc1C#N ZINC000300115483 373619484 /nfs/dbraw/zinc/61/94/84/373619484.db2.gz IEVXEAVPAIHJHO-CHWSQXEVSA-N 1 1 258.365 3.045 20 30 CGEDMO CCC[C@H](C)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000177278026 373672401 /nfs/dbraw/zinc/67/24/01/373672401.db2.gz HVPCUCZQCBAVLR-HNNXBMFYSA-N 1 1 271.408 3.259 20 30 CGEDMO C=CC[N@H+](CCOC)C[C@H](C)c1cc(F)cc(F)c1 ZINC000449283107 373676217 /nfs/dbraw/zinc/67/62/17/373676217.db2.gz JZGXCIMTXNXQBM-LBPRGKRZSA-N 1 1 269.335 3.203 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@](C)(COC)C1 ZINC000449389062 373686361 /nfs/dbraw/zinc/68/63/61/373686361.db2.gz BVDNGWWDOXPHAM-KRWDZBQOSA-N 1 1 275.392 3.110 20 30 CGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000177561139 373691385 /nfs/dbraw/zinc/69/13/85/373691385.db2.gz ZCBIYQZQTJDXFY-BMFZPTHFSA-N 1 1 297.402 3.007 20 30 CGEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2C#N)C12CCC2 ZINC000177675735 373699799 /nfs/dbraw/zinc/69/97/99/373699799.db2.gz OGPODSMFAHAOGC-IAGOWNOFSA-N 1 1 284.403 3.338 20 30 CGEDMO C=CCC1(C[NH2+][C@@H]2CCN(CC)C[C@@H]2C)CCCC1 ZINC000449604039 373833570 /nfs/dbraw/zinc/83/35/70/373833570.db2.gz IVRFDSQPJUMRLJ-JKSUJKDBSA-N 1 1 264.457 3.443 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@H](OCC)[C@H](C)C2)c1 ZINC000449490734 373781181 /nfs/dbraw/zinc/78/11/81/373781181.db2.gz CQKLMKQLVZVBPW-QAPCUYQASA-N 1 1 289.419 3.498 20 30 CGEDMO C=CCC[C@H]([NH2+][C@@H]1CC[C@H]1C1CCC1)C(=O)OCC ZINC000449656080 373837457 /nfs/dbraw/zinc/83/74/57/373837457.db2.gz JCTZYVDPHCCPPD-ZNMIVQPWSA-N 1 1 265.397 3.053 20 30 CGEDMO Cc1ccc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)nc1C#N ZINC000302826751 373977006 /nfs/dbraw/zinc/97/70/06/373977006.db2.gz NDYKOPKTCQGJBZ-CRAIPNDOSA-N 1 1 292.386 3.119 20 30 CGEDMO C[N@@H+](CCCNc1c(C#N)cccc1C#N)C1CCCCC1 ZINC000302855292 373984789 /nfs/dbraw/zinc/98/47/89/373984789.db2.gz RODRRUCOCFHAHN-UHFFFAOYSA-N 1 1 296.418 3.496 20 30 CGEDMO CCC[N@H+]1CC[C@@H](CNc2cccc(Cl)c2C#N)C1 ZINC000450276611 374035873 /nfs/dbraw/zinc/03/58/73/374035873.db2.gz POPXYIKEOWHBSS-LBPRGKRZSA-N 1 1 277.799 3.355 20 30 CGEDMO N#CC1(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)CCC1 ZINC000450437045 374129569 /nfs/dbraw/zinc/12/95/69/374129569.db2.gz KHDIPEHZLPQZJF-HNNXBMFYSA-N 1 1 262.397 3.104 20 30 CGEDMO N#CCC[N@@H+](CC1CC1)C[C@@H]1CCCCC1(F)F ZINC000450463104 374145563 /nfs/dbraw/zinc/14/55/63/374145563.db2.gz MEJFGVOBRXTZLX-ZDUSSCGKSA-N 1 1 256.340 3.438 20 30 CGEDMO CC[C@H]1CCCC[N@@H+]1CCN[C@@H](C)c1cccc(C#N)c1 ZINC000181745068 374164629 /nfs/dbraw/zinc/16/46/29/374164629.db2.gz XJAHKBPCYQTGFE-YJBOKZPZSA-N 1 1 285.435 3.473 20 30 CGEDMO CC[C@H]1CCCC[N@H+]1CCN[C@@H](C)c1cccc(C#N)c1 ZINC000181745068 374164637 /nfs/dbraw/zinc/16/46/37/374164637.db2.gz XJAHKBPCYQTGFE-YJBOKZPZSA-N 1 1 285.435 3.473 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)c(OC)c1)CC(C)(C)C ZINC000311744816 374254824 /nfs/dbraw/zinc/25/48/24/374254824.db2.gz BUUWIYBTDIKHHS-UHFFFAOYSA-N 1 1 260.381 3.435 20 30 CGEDMO CCC[N@@H+](CCOc1ccc(C#N)cc1)CC(C)C ZINC000311416500 374241739 /nfs/dbraw/zinc/24/17/39/374241739.db2.gz JSISVPGBYLLRTI-UHFFFAOYSA-N 1 1 260.381 3.305 20 30 CGEDMO N#Cc1cnc2ccccc2c1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000317140822 374338697 /nfs/dbraw/zinc/33/86/97/374338697.db2.gz BDCZTDDHPLTBTI-LSDHHAIUSA-N 1 1 292.386 3.145 20 30 CGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000317334268 374340117 /nfs/dbraw/zinc/34/01/17/374340117.db2.gz AHGHHKPZUAFZDX-ZFWWWQNUSA-N 1 1 299.418 3.253 20 30 CGEDMO C[C@H](C1CCC1)[N@@H+](C)CCOc1ccccc1C#N ZINC000325566311 374358498 /nfs/dbraw/zinc/35/84/98/374358498.db2.gz MYBKXTPFKWSPBF-CYBMUJFWSA-N 1 1 258.365 3.057 20 30 CGEDMO CCCCOc1cc(C[NH2+]C[C@H](C)C#N)ccc1OC ZINC000183829437 374461041 /nfs/dbraw/zinc/46/10/41/374461041.db2.gz LBVHFHWJWTYUIK-CYBMUJFWSA-N 1 1 276.380 3.123 20 30 CGEDMO C[C@H](CCN[C@H](C)c1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000184507630 374534051 /nfs/dbraw/zinc/53/40/51/374534051.db2.gz YRXNXKJCNODMMK-HZPDHXFCSA-N 1 1 285.435 3.473 20 30 CGEDMO C=CCC[C@H](O)C[NH2+][C@@H](C)c1nc(C2CCCCC2)no1 ZINC000185274277 374627660 /nfs/dbraw/zinc/62/76/60/374627660.db2.gz YMWAQEKDCCBRSL-JSGCOSHPSA-N 1 1 293.411 3.095 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@H]2COCc3ccccc32)c(F)c1 ZINC000334236491 206233962 /nfs/dbraw/zinc/23/39/62/206233962.db2.gz LGTQNZBQQATCGP-KRWDZBQOSA-N 1 1 282.318 3.058 20 30 CGEDMO C[C@@H]1[N@@H+](Cc2ccc(F)cc2C#N)CCC12CCOCC2 ZINC000334250890 206256944 /nfs/dbraw/zinc/25/69/44/206256944.db2.gz ZMLMCELOGYNJOW-ZDUSSCGKSA-N 1 1 288.366 3.088 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)cc1 ZINC000186448657 374853535 /nfs/dbraw/zinc/85/35/35/374853535.db2.gz XFKDYZWENBPNSF-LJQANCHMSA-N 1 1 290.366 3.190 20 30 CGEDMO C[C@@H]([NH2+]CC#Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000467867101 374977176 /nfs/dbraw/zinc/97/71/76/374977176.db2.gz NOQPMOSVLRASDB-CQSZACIVSA-N 1 1 280.327 3.297 20 30 CGEDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@H](C)C#N ZINC000470174386 374996019 /nfs/dbraw/zinc/99/60/19/374996019.db2.gz KLQNIMSBYNQHCG-BWODNOAJSA-N 1 1 273.336 3.090 20 30 CGEDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@H](C)C#N ZINC000470174386 374996025 /nfs/dbraw/zinc/99/60/25/374996025.db2.gz KLQNIMSBYNQHCG-BWODNOAJSA-N 1 1 273.336 3.090 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000470774959 374998573 /nfs/dbraw/zinc/99/85/73/374998573.db2.gz VRDBCNKIPXPKFE-DOTOQJQBSA-N 1 1 259.393 3.457 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000470766820 374998926 /nfs/dbraw/zinc/99/89/26/374998926.db2.gz RCXJYNDHCAHGMJ-QGZVFWFLSA-N 1 1 259.393 3.243 20 30 CGEDMO C=CCOCCC[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC000470774253 374999005 /nfs/dbraw/zinc/99/90/05/374999005.db2.gz RRJOGNJEXAFVBA-UHFFFAOYSA-N 1 1 259.393 3.373 20 30 CGEDMO C=CCOCCC[N@@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000470778177 374999348 /nfs/dbraw/zinc/99/93/48/374999348.db2.gz CDPXTLUVALPGOO-DOTOQJQBSA-N 1 1 259.393 3.457 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](CC)Cc1ccccc1Cl ZINC000472747237 375032147 /nfs/dbraw/zinc/03/21/47/375032147.db2.gz HPGXTBSJSAMSKY-CQSZACIVSA-N 1 1 267.800 3.489 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000472752659 375033065 /nfs/dbraw/zinc/03/30/65/375033065.db2.gz PVMNMGVRQOBRCL-ROUUACIJSA-N 1 1 273.420 3.411 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@H](O)CSC ZINC000187803265 375098091 /nfs/dbraw/zinc/09/80/91/375098091.db2.gz HSUVROMYVITMQU-JTQLQIEISA-N 1 1 291.869 3.113 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCc2c(cccc2C(C)C)C1 ZINC000475386438 375133967 /nfs/dbraw/zinc/13/39/67/375133967.db2.gz HZILSTYWRFUGKG-INIZCTEOSA-N 1 1 273.420 3.495 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000483080941 375174708 /nfs/dbraw/zinc/17/47/08/375174708.db2.gz YOFXETYUSZVZEQ-SOLBZPMBSA-N 1 1 298.430 3.269 20 30 CGEDMO CCO[C@H]1C[C@H]([N@@H+](C)CC#Cc2ccccc2)C1(C)C ZINC000483970494 375184773 /nfs/dbraw/zinc/18/47/73/375184773.db2.gz CGRGXNTZLHQXFH-IRXDYDNUSA-N 1 1 271.404 3.174 20 30 CGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCC[C@H](C)C1 ZINC000187946280 375124306 /nfs/dbraw/zinc/12/43/06/375124306.db2.gz OYZDWDZGPDDNKG-KBPBESRZSA-N 1 1 285.391 3.007 20 30 CGEDMO C[N@@H+](CC#Cc1ccccc1)CC1(O)CCCCCC1 ZINC000483986933 375185571 /nfs/dbraw/zinc/18/55/71/375185571.db2.gz NUEAKAYTCPULGN-UHFFFAOYSA-N 1 1 271.404 3.055 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000484498713 375189075 /nfs/dbraw/zinc/18/90/75/375189075.db2.gz FPAJZRAMDCBDKZ-HNNXBMFYSA-N 1 1 280.456 3.073 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)cc1F ZINC000335179607 375203403 /nfs/dbraw/zinc/20/34/03/375203403.db2.gz WIVVTRHSUGRTCD-SJLPKXTDSA-N 1 1 296.345 3.005 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)CCCO1 ZINC000335181729 375207395 /nfs/dbraw/zinc/20/73/95/375207395.db2.gz NZSAPAPRNRWOGT-LLVKDONJSA-N 1 1 298.308 3.188 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)CCCO1 ZINC000335181729 375207402 /nfs/dbraw/zinc/20/74/02/375207402.db2.gz NZSAPAPRNRWOGT-LLVKDONJSA-N 1 1 298.308 3.188 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@@H](O)CC(F)(F)F ZINC000188862981 375283490 /nfs/dbraw/zinc/28/34/90/375283490.db2.gz INBFICKISKKDBI-LBPRGKRZSA-N 1 1 291.288 3.127 20 30 CGEDMO COCC[N@@H+](Cc1cc(C#N)ccc1F)[C@H]1CCC[C@H]1C ZINC000487998208 375294330 /nfs/dbraw/zinc/29/43/30/375294330.db2.gz HDUXHTZXMOFKNS-DYVFJYSZSA-N 1 1 290.382 3.334 20 30 CGEDMO C=CC[N@H+](C)Cc1cncc(OCc2ccccc2)c1 ZINC000488063199 375303079 /nfs/dbraw/zinc/30/30/79/375303079.db2.gz JJPXFSWBCAFZKX-UHFFFAOYSA-N 1 1 268.360 3.278 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1OC ZINC000489492946 375318038 /nfs/dbraw/zinc/31/80/38/375318038.db2.gz FEXVSBSVSSWHGU-HNNXBMFYSA-N 1 1 256.349 3.107 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)o1)CC1(c2ccccc2)CC1 ZINC000188715900 375258675 /nfs/dbraw/zinc/25/86/75/375258675.db2.gz XRNBVPUNLZHGNN-UHFFFAOYSA-N 1 1 266.344 3.315 20 30 CGEDMO C[N@@H+](Cc1ccc(F)c(F)c1)[C@H]1CC[C@H](C#N)C1 ZINC000335331980 375262410 /nfs/dbraw/zinc/26/24/10/375262410.db2.gz NVHAHRFNRKPLIZ-JQWIXIFHSA-N 1 1 250.292 3.089 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000492777426 375452402 /nfs/dbraw/zinc/45/24/02/375452402.db2.gz XZSZNQFKHFTKPJ-UHFFFAOYSA-N 1 1 278.352 3.392 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496371240 375531291 /nfs/dbraw/zinc/53/12/91/375531291.db2.gz YCPAZOUXRVEMGK-HUUCEWRRSA-N 1 1 294.439 3.284 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000496628011 375546433 /nfs/dbraw/zinc/54/64/33/375546433.db2.gz UEXZDEMRHYJFMJ-KGLIPLIRSA-N 1 1 282.428 3.188 20 30 CGEDMO N#Cc1ccc(C[N@H+](C[C@@H](O)C2CCCCC2)C2CC2)cc1 ZINC000190460553 375513626 /nfs/dbraw/zinc/51/36/26/375513626.db2.gz OJAIKWKOEXXERJ-LJQANCHMSA-N 1 1 298.430 3.464 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CCC1(F)F ZINC000336008268 375613396 /nfs/dbraw/zinc/61/33/96/375613396.db2.gz JCXYMOYBVHJLKC-SNVBAGLBSA-N 1 1 268.282 3.174 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CCC1(F)F ZINC000336008268 375613402 /nfs/dbraw/zinc/61/34/02/375613402.db2.gz JCXYMOYBVHJLKC-SNVBAGLBSA-N 1 1 268.282 3.174 20 30 CGEDMO C=C[C@H](C)[NH2+][C@@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000119311703 542005821 /nfs/dbraw/zinc/00/58/21/542005821.db2.gz WLGYXDONLSAKFV-QWRGUYRKSA-N 1 1 290.798 3.454 20 30 CGEDMO CC[N@H+]1C[C@H](C)N(CC#Cc2cccc(Cl)c2)C[C@H]1C ZINC000498939477 375628538 /nfs/dbraw/zinc/62/85/38/375628538.db2.gz VPRAMVWAJSTOBV-CABCVRRESA-N 1 1 290.838 3.106 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000498799775 375628845 /nfs/dbraw/zinc/62/88/45/375628845.db2.gz SDYGLDIIDKLNTR-GJZGRUSLSA-N 1 1 292.467 3.358 20 30 CGEDMO CC1CCC([N@@H+](Cc2cc(C#N)n(C)c2)C2CC2)CC1 ZINC000191224590 375599029 /nfs/dbraw/zinc/59/90/29/375599029.db2.gz FKGACSHQWZQSLR-UHFFFAOYSA-N 1 1 271.408 3.440 20 30 CGEDMO CC[N@H+]1C[C@H](C)N(CC#Cc2ccccc2Cl)C[C@@H]1C ZINC000498907127 375629248 /nfs/dbraw/zinc/62/92/48/375629248.db2.gz ZRGOFOKRSZCOOV-GJZGRUSLSA-N 1 1 290.838 3.106 20 30 CGEDMO CCC[N@H+](Cc1cccc(C#N)c1)[C@@H](CC)C(=O)OCC ZINC000191670896 375651970 /nfs/dbraw/zinc/65/19/70/375651970.db2.gz NWCLRXIFNIHURP-INIZCTEOSA-N 1 1 288.391 3.112 20 30 CGEDMO CCC[N@@H+](Cc1cccc(C#N)c1)[C@@H](CC)C(=O)OCC ZINC000191670896 375651978 /nfs/dbraw/zinc/65/19/78/375651978.db2.gz NWCLRXIFNIHURP-INIZCTEOSA-N 1 1 288.391 3.112 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1OC ZINC000505327424 375657233 /nfs/dbraw/zinc/65/72/33/375657233.db2.gz UTOPFXCBTVHDMT-CQSZACIVSA-N 1 1 275.392 3.492 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cc(Br)cs1 ZINC000191758706 375659134 /nfs/dbraw/zinc/65/91/34/375659134.db2.gz KGAGITKJUGQKFR-UHFFFAOYSA-N 1 1 290.226 3.145 20 30 CGEDMO C[C@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000336086401 375675067 /nfs/dbraw/zinc/67/50/67/375675067.db2.gz YPAYQCLTFDMDRI-JOYOIKCWSA-N 1 1 272.270 3.314 20 30 CGEDMO C[C@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1ccc(C#N)o1 ZINC000336086401 375675071 /nfs/dbraw/zinc/67/50/71/375675071.db2.gz YPAYQCLTFDMDRI-JOYOIKCWSA-N 1 1 272.270 3.314 20 30 CGEDMO O[C@@H](C[C@H]1CCC[N@H+]1CC#Cc1ccccc1)c1ccco1 ZINC000192070547 375696425 /nfs/dbraw/zinc/69/64/25/375696425.db2.gz OQWUNSBIRKRCEQ-MSOLQXFVSA-N 1 1 295.382 3.219 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](Nc3ccccc3)C2)cc1F ZINC000192098302 375698850 /nfs/dbraw/zinc/69/88/50/375698850.db2.gz GVQQWGKAQOWBHV-KRWDZBQOSA-N 1 1 295.361 3.384 20 30 CGEDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1CCCC(C)(C)C#N ZINC000124147036 542030946 /nfs/dbraw/zinc/03/09/46/542030946.db2.gz DDAPYWKDPDSLRK-GJZGRUSLSA-N 1 1 266.429 3.332 20 30 CGEDMO C[C@H]1CC[N@@H+](CCCOc2cccc(C#N)c2)CCS1 ZINC000192194567 375710622 /nfs/dbraw/zinc/71/06/22/375710622.db2.gz ZNBHEQOUTISUMS-AWEZNQCLSA-N 1 1 290.432 3.155 20 30 CGEDMO C=CCCCCCNC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000516086029 375818165 /nfs/dbraw/zinc/81/81/65/375818165.db2.gz OXZPACCEUOKQQB-JKSUJKDBSA-N 1 1 295.471 3.247 20 30 CGEDMO C=CCCC[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000510724527 375787769 /nfs/dbraw/zinc/78/77/69/375787769.db2.gz YDPGRKTXMHLMQX-QGZVFWFLSA-N 1 1 257.377 3.127 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([NH+]2CCN(c3ccccc3Cl)CC2)C1 ZINC000336435497 375792821 /nfs/dbraw/zinc/79/28/21/375792821.db2.gz OQVKZTKUWUETDN-ZIAGYGMSSA-N 1 1 289.810 3.154 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC2(C1)CCCCC2 ZINC000525124643 375881438 /nfs/dbraw/zinc/88/14/38/375881438.db2.gz DAFJXXHMQVEELZ-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C[C@H](c1cccs1)[N@@H+](C)CCCSCC#N ZINC000336661746 375896379 /nfs/dbraw/zinc/89/63/79/375896379.db2.gz CAYNQSITZMRWLD-LLVKDONJSA-N 1 1 254.424 3.388 20 30 CGEDMO C[C@]1(c2ccccc2)CCC[N@@H+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000528381353 375900099 /nfs/dbraw/zinc/90/00/99/375900099.db2.gz MNHVLPHEDZUWRD-MSOLQXFVSA-N 1 1 298.430 3.095 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@H+]2CCCC3(CCCCC3)CC2)CC1 ZINC000528475169 375903489 /nfs/dbraw/zinc/90/34/89/375903489.db2.gz QDQKKCQHZRSDRD-MRXNPFEDSA-N 1 1 290.451 3.478 20 30 CGEDMO CC(C)[C@@H]1CN(CC2(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000528642623 375907419 /nfs/dbraw/zinc/90/74/19/375907419.db2.gz XDLQVXSRFVDLRT-SFHVURJKSA-N 1 1 297.446 3.133 20 30 CGEDMO CC[N@@H+](Cc1cc(C)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000193759645 375918766 /nfs/dbraw/zinc/91/87/66/375918766.db2.gz QWQZPQXSLVACCX-ZDUSSCGKSA-N 1 1 269.348 3.438 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000530623086 375942031 /nfs/dbraw/zinc/94/20/31/375942031.db2.gz CFPXFENHLGXQGK-AWEZNQCLSA-N 1 1 261.340 3.297 20 30 CGEDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](CCCCC#N)C1 ZINC000532379536 375950560 /nfs/dbraw/zinc/95/05/60/375950560.db2.gz JEWLBTFWMCATBH-CQSZACIVSA-N 1 1 280.412 3.124 20 30 CGEDMO CC[N@@H+](Cc1cnc(C)cn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000336833263 375995306 /nfs/dbraw/zinc/99/53/06/375995306.db2.gz CJSZUXBEDFMPLS-AWEZNQCLSA-N 1 1 280.375 3.240 20 30 CGEDMO CC[N@H+](Cc1cc(C)n(C)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000336837111 376001173 /nfs/dbraw/zinc/00/11/73/376001173.db2.gz NBJTUJLNJWJJGG-AWEZNQCLSA-N 1 1 282.391 3.183 20 30 CGEDMO CC[N@@H+](Cc1cc(C)n(C)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000336837111 376001178 /nfs/dbraw/zinc/00/11/78/376001178.db2.gz NBJTUJLNJWJJGG-AWEZNQCLSA-N 1 1 282.391 3.183 20 30 CGEDMO C=CC[N@@H+](CCO[C@H]1CCCCO1)Cc1cccs1 ZINC000195231084 376090807 /nfs/dbraw/zinc/09/08/07/376090807.db2.gz VTYRQVGCDAZUGJ-HNNXBMFYSA-N 1 1 281.421 3.279 20 30 CGEDMO C=CCN1CC[C@H]([N@H+](Cc2ccccc2)[C@H](C)C2CC2)C1=O ZINC000337136180 376092567 /nfs/dbraw/zinc/09/25/67/376092567.db2.gz MWUNFURTWVIZGO-QAPCUYQASA-N 1 1 298.430 3.074 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2c2cc(C)ccc2C)C1=O ZINC000337155888 376104161 /nfs/dbraw/zinc/10/41/61/376104161.db2.gz OIIRXYWWRYYEJO-ROUUACIJSA-N 1 1 298.430 3.227 20 30 CGEDMO C=CCCC[N@H+](C)Cc1nc2ccccc2n1CC ZINC000537633750 376186781 /nfs/dbraw/zinc/18/67/81/376186781.db2.gz XQINRIBVCRAPIB-UHFFFAOYSA-N 1 1 257.381 3.454 20 30 CGEDMO COc1ccc2c(c1)CCC[N@@H+](Cc1ccc(C#N)o1)C2 ZINC000538739183 376267986 /nfs/dbraw/zinc/26/79/86/376267986.db2.gz VUPPWAMTHPLDCX-UHFFFAOYSA-N 1 1 282.343 3.108 20 30 CGEDMO COc1ccc2c(c1)CCC[N@H+](Cc1ccc(C#N)o1)C2 ZINC000538739183 376267989 /nfs/dbraw/zinc/26/79/89/376267989.db2.gz VUPPWAMTHPLDCX-UHFFFAOYSA-N 1 1 282.343 3.108 20 30 CGEDMO N#Cc1ccc(OCC[N@H+]2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000228012623 376423013 /nfs/dbraw/zinc/42/30/13/376423013.db2.gz WFJWKVYFMYDGSG-DOTOQJQBSA-N 1 1 270.376 3.202 20 30 CGEDMO N#CC1(C[NH+]2CCC(c3ccccc3F)CC2)CC1 ZINC000540547868 376381610 /nfs/dbraw/zinc/38/16/10/376381610.db2.gz OUBGSCWKMMOISM-UHFFFAOYSA-N 1 1 258.340 3.309 20 30 CGEDMO C=CCCC[C@@H](C)NC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000540573824 376382445 /nfs/dbraw/zinc/38/24/45/376382445.db2.gz VJXFFJVEXYBPCO-OAHLLOKOSA-N 1 1 295.471 3.295 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000541388950 376445756 /nfs/dbraw/zinc/44/57/56/376445756.db2.gz FVVMRIPBCNXNBI-FUHWJXTLSA-N 1 1 273.420 3.420 20 30 CGEDMO CC[N@@H+](CCCCC#N)Cc1ccc(OC)cc1OC ZINC000338739995 376508728 /nfs/dbraw/zinc/50/87/28/376508728.db2.gz LUGIEGQQSXXVKG-UHFFFAOYSA-N 1 1 276.380 3.220 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)c(OC)c1)CC1CC1 ZINC000233036074 376594361 /nfs/dbraw/zinc/59/43/61/376594361.db2.gz HLMJMSAZOHSGAM-UHFFFAOYSA-N 1 1 258.365 3.189 20 30 CGEDMO C[C@@H]1C[N@@H+](CCOc2cccc(C#N)c2)[C@H]2CCCC[C@@H]12 ZINC000542969156 376598081 /nfs/dbraw/zinc/59/80/81/376598081.db2.gz LTCFUYAOYALHSR-JLSDUUJJSA-N 1 1 284.403 3.448 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCc1ccccc1O ZINC000543246018 376624642 /nfs/dbraw/zinc/62/46/42/376624642.db2.gz ZSNJIOUHOOXLMM-AWEZNQCLSA-N 1 1 280.371 3.499 20 30 CGEDMO COc1cc(C[N@@H+](C)Cc2ccccc2)ccc1C#N ZINC000234929164 376624588 /nfs/dbraw/zinc/62/45/88/376624588.db2.gz KMYBZLWQOZFKQZ-UHFFFAOYSA-N 1 1 266.344 3.199 20 30 CGEDMO COc1cc(C[N@H+]2CCCC(C)(C)C2)ccc1C#N ZINC000234964363 376626582 /nfs/dbraw/zinc/62/65/82/376626582.db2.gz WHGRTYJARXMTFA-UHFFFAOYSA-N 1 1 258.365 3.189 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1Cn1c(C)nc2ccccc21 ZINC000339659962 376790023 /nfs/dbraw/zinc/79/00/23/376790023.db2.gz FDIWZDMGLXACJO-OAHLLOKOSA-N 1 1 269.392 3.385 20 30 CGEDMO N#CC1(CCC[N@H+]2CC[C@@H](CC3CC3)C2)CCOCC1 ZINC000339678354 376804809 /nfs/dbraw/zinc/80/48/09/376804809.db2.gz LOZVTRMOGKDFGJ-INIZCTEOSA-N 1 1 276.424 3.209 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000245413023 376811096 /nfs/dbraw/zinc/81/10/96/376811096.db2.gz BBFRBBLBRNUJTB-YJBOKZPZSA-N 1 1 286.419 3.104 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000245413023 376811100 /nfs/dbraw/zinc/81/11/00/376811100.db2.gz BBFRBBLBRNUJTB-YJBOKZPZSA-N 1 1 286.419 3.104 20 30 CGEDMO CC(C)CCO[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000156681296 542130240 /nfs/dbraw/zinc/13/02/40/542130240.db2.gz RLQXQWXFSPFLGZ-GOSISDBHSA-N 1 1 289.394 3.314 20 30 CGEDMO CCCc1[nH+]ccn1Cc1ccc(C#N)cc1OC(F)F ZINC000339690728 376812593 /nfs/dbraw/zinc/81/25/93/376812593.db2.gz QPVLUWRRYWKQFB-UHFFFAOYSA-N 1 1 291.301 3.357 20 30 CGEDMO CC#CC[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000555751315 376860062 /nfs/dbraw/zinc/86/00/62/376860062.db2.gz BBWVZAXACSGMAF-UHFFFAOYSA-N 1 1 271.282 3.083 20 30 CGEDMO N#CCCCOc1cccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000245904922 376933031 /nfs/dbraw/zinc/93/30/31/376933031.db2.gz AVAUPOIYTDFXOT-SJORKVTESA-N 1 1 299.418 3.408 20 30 CGEDMO CC[C@@H]1CCCC[N@@H+]1CCN[C@H](C)c1cccc(C#N)c1 ZINC000245956096 376943058 /nfs/dbraw/zinc/94/30/58/376943058.db2.gz XJAHKBPCYQTGFE-CRAIPNDOSA-N 1 1 285.435 3.473 20 30 CGEDMO CC[C@@H]1CCCC[N@H+]1CCN[C@H](C)c1cccc(C#N)c1 ZINC000245956096 376943065 /nfs/dbraw/zinc/94/30/65/376943065.db2.gz XJAHKBPCYQTGFE-CRAIPNDOSA-N 1 1 285.435 3.473 20 30 CGEDMO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@H](C)c1ccc(C#N)cc1 ZINC000245961886 376945167 /nfs/dbraw/zinc/94/51/67/376945167.db2.gz YHEDDQXRAWAXBL-BZUAXINKSA-N 1 1 285.435 3.329 20 30 CGEDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)N[C@H](C)c1ccc(C#N)cc1 ZINC000245961886 376945171 /nfs/dbraw/zinc/94/51/71/376945171.db2.gz YHEDDQXRAWAXBL-BZUAXINKSA-N 1 1 285.435 3.329 20 30 CGEDMO C[C@@H]1CCC[C@@H](C)[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000558601873 377023055 /nfs/dbraw/zinc/02/30/55/377023055.db2.gz QLIYUBCXRRLNJX-HUUCEWRRSA-N 1 1 272.392 3.448 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCNc1cccc(Cl)c1C#N ZINC000561020650 377201577 /nfs/dbraw/zinc/20/15/77/377201577.db2.gz JLXJNMNQBOKVPE-GFCCVEGCSA-N 1 1 277.799 3.498 20 30 CGEDMO CCC[C@@H](C)[N@@H+](C)Cc1cn2ccccc2c1C#N ZINC000340880976 377301731 /nfs/dbraw/zinc/30/17/31/377301731.db2.gz CRFDSJBCDPVUTM-CYBMUJFWSA-N 1 1 255.365 3.431 20 30 CGEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(O)c2)CC2CC2)nc1 ZINC000562371901 377304335 /nfs/dbraw/zinc/30/43/35/377304335.db2.gz BAJJWJMGIORLTP-UHFFFAOYSA-N 1 1 293.370 3.071 20 30 CGEDMO C=CCCC[C@@H](C)[N@@H+]1CCn2c(nnc2C2CCCC2)C1 ZINC000340901168 377309320 /nfs/dbraw/zinc/30/93/20/377309320.db2.gz KTQRDSMLNSSSHZ-CQSZACIVSA-N 1 1 288.439 3.496 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCn2c(nnc2C2CCCC2)C1 ZINC000340901168 377309326 /nfs/dbraw/zinc/30/93/26/377309326.db2.gz KTQRDSMLNSSSHZ-CQSZACIVSA-N 1 1 288.439 3.496 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000248625312 377368640 /nfs/dbraw/zinc/36/86/40/377368640.db2.gz NTOODXMYYXNTDV-XIRDDKMYSA-N 1 1 286.419 3.150 20 30 CGEDMO CN(CCC[NH2+][C@H]1CCC[C@@H](C#N)C1)Cc1ccccc1 ZINC000248722416 377387825 /nfs/dbraw/zinc/38/78/25/377387825.db2.gz CKZLOLWNUCCUEM-MSOLQXFVSA-N 1 1 285.435 3.180 20 30 CGEDMO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)N[C@H]1CCC[C@H](C#N)C1 ZINC000248867804 377416438 /nfs/dbraw/zinc/41/64/38/377416438.db2.gz QHLOVRYTKBWRIU-QEOTZNIISA-N 1 1 277.456 3.025 20 30 CGEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@H]1CCC[C@H](C#N)C1 ZINC000248867804 377416442 /nfs/dbraw/zinc/41/64/42/377416442.db2.gz QHLOVRYTKBWRIU-QEOTZNIISA-N 1 1 277.456 3.025 20 30 CGEDMO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CC1(C#N)CC1 ZINC000567174942 377504847 /nfs/dbraw/zinc/50/48/47/377504847.db2.gz MHVMSYDFOLXMCH-UHFFFAOYSA-N 1 1 298.365 3.022 20 30 CGEDMO Cc1noc([C@H]2CCC[N@H+]([C@H](C)c3cccc(C#N)c3)C2)n1 ZINC000249472854 377506139 /nfs/dbraw/zinc/50/61/39/377506139.db2.gz SJTOOAZKAFJXPJ-WBMJQRKESA-N 1 1 296.374 3.190 20 30 CGEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC1(C)CC1 ZINC000567424321 377507356 /nfs/dbraw/zinc/50/73/56/377507356.db2.gz JNQCLVZLJGQWEK-UHFFFAOYSA-N 1 1 260.337 3.383 20 30 CGEDMO Cc1ccccc1[C@H]1C[N@H+]([C@@H](C)CCC#N)CCO1 ZINC000563794425 377472397 /nfs/dbraw/zinc/47/23/97/377472397.db2.gz BNLKRHSEOJUQGZ-GOEBONIOSA-N 1 1 258.365 3.061 20 30 CGEDMO Cc1ccccc1[C@H]1C[N@@H+]([C@@H](C)CCC#N)CCO1 ZINC000563794425 377472400 /nfs/dbraw/zinc/47/24/00/377472400.db2.gz BNLKRHSEOJUQGZ-GOEBONIOSA-N 1 1 258.365 3.061 20 30 CGEDMO Cc1ccc(C[C@@H]2CCC[N@@H+](CCOCCC#N)C2)cc1 ZINC000567631106 377508456 /nfs/dbraw/zinc/50/84/56/377508456.db2.gz ZHPYCXARSJNWGM-SFHVURJKSA-N 1 1 286.419 3.180 20 30 CGEDMO C[C@@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)[C@H]1C ZINC000566313216 377494918 /nfs/dbraw/zinc/49/49/18/377494918.db2.gz GXHKNYYCSUMNGV-NEPJUHHUSA-N 1 1 267.294 3.397 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000568602419 377519594 /nfs/dbraw/zinc/51/95/94/377519594.db2.gz ZQVDNDDJOHHZBA-KBPBESRZSA-N 1 1 280.412 3.122 20 30 CGEDMO CC(C)C[N@@H+](CCOCC1CC1)Cc1ccc(C#N)cc1 ZINC000357624893 249108003 /nfs/dbraw/zinc/10/80/03/249108003.db2.gz JGJAWHPWWDOMSW-UHFFFAOYSA-N 1 1 286.419 3.443 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000572711328 377551396 /nfs/dbraw/zinc/55/13/96/377551396.db2.gz AXMUVOFEAVWQRL-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO COc1ccc([C@H](C)[N@@H+](C)Cc2ccc(C#N)cn2)cc1 ZINC000518212021 249276708 /nfs/dbraw/zinc/27/67/08/249276708.db2.gz LNPUSURDQHTSAW-ZDUSSCGKSA-N 1 1 281.359 3.155 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2ccnc(C#N)c2)C1 ZINC000341523612 377606074 /nfs/dbraw/zinc/60/60/74/377606074.db2.gz HJGLXSSZIQRXIH-GASCZTMLSA-N 1 1 286.423 3.123 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000253096367 377676410 /nfs/dbraw/zinc/67/64/10/377676410.db2.gz QGBHKVYHCFIALK-RCCFBDPRSA-N 1 1 284.403 3.074 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](OCCCc3ccccc3)C2)C1 ZINC000575022533 377739691 /nfs/dbraw/zinc/73/96/91/377739691.db2.gz HERTZSWNLLDUCZ-CEXWTWQISA-N 1 1 298.430 3.402 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCOC1 ZINC000342670351 377725026 /nfs/dbraw/zinc/72/50/26/377725026.db2.gz FZEIFDRBFFSHBE-KRWDZBQOSA-N 1 1 272.392 3.197 20 30 CGEDMO N#CCc1ccc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000342695129 377738739 /nfs/dbraw/zinc/73/87/39/377738739.db2.gz ORNWQXSWUALXKW-IBGZPJMESA-N 1 1 292.382 3.326 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000342695129 377738751 /nfs/dbraw/zinc/73/87/51/377738751.db2.gz ORNWQXSWUALXKW-IBGZPJMESA-N 1 1 292.382 3.326 20 30 CGEDMO C=CCC[N@@H+](C)Cc1nc(-c2cccc(C)c2)no1 ZINC000342718123 377754059 /nfs/dbraw/zinc/75/40/59/377754059.db2.gz HOXKYSUUVRORNB-UHFFFAOYSA-N 1 1 257.337 3.053 20 30 CGEDMO C=CCC[N@H+](C)Cc1nc(-c2cccc(C)c2)no1 ZINC000342718123 377754065 /nfs/dbraw/zinc/75/40/65/377754065.db2.gz HOXKYSUUVRORNB-UHFFFAOYSA-N 1 1 257.337 3.053 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)c1nc(-c2cccs2)no1 ZINC000342726499 377758660 /nfs/dbraw/zinc/75/86/60/377758660.db2.gz FORBATIUQJMONN-JTQLQIEISA-N 1 1 263.366 3.367 20 30 CGEDMO C[N@@H+](Cc1ccccc1C#N)C[C@H]1OCCc2ccccc21 ZINC000263698293 377949273 /nfs/dbraw/zinc/94/92/73/377949273.db2.gz LAXKUWRVEGCPHC-LJQANCHMSA-N 1 1 292.382 3.304 20 30 CGEDMO C[N@H+](Cc1ccccc1C#N)C[C@H]1OCCc2ccccc21 ZINC000263698293 377949276 /nfs/dbraw/zinc/94/92/76/377949276.db2.gz LAXKUWRVEGCPHC-LJQANCHMSA-N 1 1 292.382 3.304 20 30 CGEDMO Cc1ccnc(NC[C@@H]2CCCC[N@@H+]2CC(C)C)c1C#N ZINC000343522977 378006284 /nfs/dbraw/zinc/00/62/84/378006284.db2.gz XDXJKJTWJFSPTI-HNNXBMFYSA-N 1 1 286.423 3.184 20 30 CGEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(CC#N)cc2)C1(C)C ZINC000343524282 378006748 /nfs/dbraw/zinc/00/67/48/378006748.db2.gz JGKLXSNXPDMCQP-IRXDYDNUSA-N 1 1 286.419 3.388 20 30 CGEDMO C[N@@H+](CCOc1ccccc1)Cc1ccc(OCC#N)cc1 ZINC000264170538 377961670 /nfs/dbraw/zinc/96/16/70/377961670.db2.gz VLXFCUCIZNIRSQ-UHFFFAOYSA-N 1 1 296.370 3.100 20 30 CGEDMO C=CCC[N@H+](C)Cc1c(F)cccc1N1CCCC1 ZINC000343464497 377987356 /nfs/dbraw/zinc/98/73/56/377987356.db2.gz GVCAPLMTNIPGGS-UHFFFAOYSA-N 1 1 262.372 3.434 20 30 CGEDMO C=CCC[N@H+](C)Cc1cn(C)nc1C1CCCCC1 ZINC000343485445 377994171 /nfs/dbraw/zinc/99/41/71/377994171.db2.gz HRPXHUQWCLQSBH-UHFFFAOYSA-N 1 1 261.413 3.476 20 30 CGEDMO CSCC[C@H](C)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000265511965 378004788 /nfs/dbraw/zinc/00/47/88/378004788.db2.gz PPDLVOFCZMIWSS-ZDUSSCGKSA-N 1 1 278.421 3.162 20 30 CGEDMO C=CC[N@H+](CCCC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000343584586 378029438 /nfs/dbraw/zinc/02/94/38/378029438.db2.gz ZXBFBXLJLGPJFL-CQSZACIVSA-N 1 1 285.395 3.011 20 30 CGEDMO Cn1cc([C@H]2C[N@@H+](CCCC(C)(C)C#N)CC2(C)C)cn1 ZINC000578284872 378053777 /nfs/dbraw/zinc/05/37/77/378053777.db2.gz IPHYMTOOCGQXRX-OAHLLOKOSA-N 1 1 288.439 3.175 20 30 CGEDMO Cc1ccc(C[N@@H+](CCO)Cc2ccc(CC#N)cc2)cc1 ZINC000343677269 378062901 /nfs/dbraw/zinc/06/29/01/378062901.db2.gz CWLNIDJVIMXHEX-UHFFFAOYSA-N 1 1 294.398 3.056 20 30 CGEDMO Cc1ccc(NC2CCN(c3ccc(C#N)cc3)CC2)[nH+]c1 ZINC000266418406 378020420 /nfs/dbraw/zinc/02/04/20/378020420.db2.gz RSAPBGOIHSHUHA-UHFFFAOYSA-N 1 1 292.386 3.343 20 30 CGEDMO Cc1cccc(C2=CC[N@H+](CC3(C#N)CC3)CC2)c1 ZINC000343564524 378022283 /nfs/dbraw/zinc/02/22/83/378022283.db2.gz ONRJFDLSJLGIAG-UHFFFAOYSA-N 1 1 252.361 3.388 20 30 CGEDMO Cc1cccc(C2=CC[N@@H+](CC3(C#N)CC3)CC2)c1 ZINC000343564524 378022286 /nfs/dbraw/zinc/02/22/86/378022286.db2.gz ONRJFDLSJLGIAG-UHFFFAOYSA-N 1 1 252.361 3.388 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@@H]1CCCc2nc(CC)sc21 ZINC000268661189 378087009 /nfs/dbraw/zinc/08/70/09/378087009.db2.gz JBZGNRJVELXDLN-GXTWGEPZSA-N 1 1 294.464 3.342 20 30 CGEDMO CCS[C@@H]1CCCC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000579907669 378205415 /nfs/dbraw/zinc/20/54/15/378205415.db2.gz IXDVARXRBLQWSB-OAHLLOKOSA-N 1 1 275.421 3.061 20 30 CGEDMO Cc1cc(C)cc(NC(=O)C[NH+]2CCC(CCC#N)CC2)c1 ZINC000579953297 378211950 /nfs/dbraw/zinc/21/19/50/378211950.db2.gz RELKYJPXGDBRFY-UHFFFAOYSA-N 1 1 299.418 3.258 20 30 CGEDMO C[C@H]1CCCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000583847260 378352048 /nfs/dbraw/zinc/35/20/48/378352048.db2.gz NDOZQWURVDEWRB-ZDUSSCGKSA-N 1 1 296.374 3.230 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cn2)[C@@H]2CCCC[C@@H]12 ZINC000583880184 378355271 /nfs/dbraw/zinc/35/52/71/378355271.db2.gz PVXMXBOZOLOFRD-XOKHGSTOSA-N 1 1 269.392 3.354 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595507113 378401672 /nfs/dbraw/zinc/40/16/72/378401672.db2.gz KBOMCSRUPSHWDA-MAUKXSAKSA-N 1 1 283.419 3.037 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000595507113 378401701 /nfs/dbraw/zinc/40/17/01/378401701.db2.gz KBOMCSRUPSHWDA-MAUKXSAKSA-N 1 1 283.419 3.037 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000595507113 378401702 /nfs/dbraw/zinc/40/17/02/378401702.db2.gz KBOMCSRUPSHWDA-MAUKXSAKSA-N 1 1 283.419 3.037 20 30 CGEDMO C#CCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000270534562 378366221 /nfs/dbraw/zinc/36/62/21/378366221.db2.gz GGCZDFMGKPPLHM-QGZVFWFLSA-N 1 1 285.412 3.307 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000271129180 378459013 /nfs/dbraw/zinc/45/90/13/378459013.db2.gz OKORCAQTRHOALE-INIZCTEOSA-N 1 1 297.402 3.354 20 30 CGEDMO C#CCCC[N@H+](C)[C@@H](C)c1sc(CC)nc1C ZINC000271027089 378432358 /nfs/dbraw/zinc/43/23/58/378432358.db2.gz KEQGSLCXFIMGHT-LBPRGKRZSA-N 1 1 250.411 3.420 20 30 CGEDMO CC[C@@H](C[NH2+][C@H](C)c1ccc(C#N)c(F)c1)N1CCCC1 ZINC000271960689 378529871 /nfs/dbraw/zinc/52/98/71/378529871.db2.gz UICOPUUAZQYYHL-CJNGLKHVSA-N 1 1 289.398 3.222 20 30 CGEDMO C[C@@H](NCC[N@@H+]1CCCC[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000271964917 378531631 /nfs/dbraw/zinc/53/16/31/378531631.db2.gz VCHQAHFBMQOCCT-UONOGXRCSA-N 1 1 289.398 3.222 20 30 CGEDMO C[C@@H](NCC[N@H+]1CCCC[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000271964917 378531638 /nfs/dbraw/zinc/53/16/38/378531638.db2.gz VCHQAHFBMQOCCT-UONOGXRCSA-N 1 1 289.398 3.222 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccccc1OCCCCO ZINC000637838027 378596569 /nfs/dbraw/zinc/59/65/69/378596569.db2.gz OXALIJFKNOPXFB-UHFFFAOYSA-N 1 1 277.408 3.236 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1ccccc1NC(C)=O ZINC000272659830 378684470 /nfs/dbraw/zinc/68/44/70/378684470.db2.gz RGYJFHDHQPVBPB-UHFFFAOYSA-N 1 1 298.386 3.469 20 30 CGEDMO C#CCCCC[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272717776 378693785 /nfs/dbraw/zinc/69/37/85/378693785.db2.gz DSYVXBXTPIXTBS-HKUYNNGSSA-N 1 1 284.447 3.290 20 30 CGEDMO C=CCOCCC[N@H+](C)[C@@H](C)c1ccc(OC)cc1 ZINC000347970841 378742299 /nfs/dbraw/zinc/74/22/99/378742299.db2.gz XGIANCIXQGGTEA-AWEZNQCLSA-N 1 1 263.381 3.281 20 30 CGEDMO C=C(Cl)CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000272919092 378722946 /nfs/dbraw/zinc/72/29/46/378722946.db2.gz RKHXXWOMAUKAGR-HOCLYGCPSA-N 1 1 278.827 3.382 20 30 CGEDMO C=CCOCCC[N@@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000348039333 378761745 /nfs/dbraw/zinc/76/17/45/378761745.db2.gz CUKQZXFWVRZZQB-UHFFFAOYSA-N 1 1 288.366 3.258 20 30 CGEDMO C=CCOCCC[N@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000348039333 378761753 /nfs/dbraw/zinc/76/17/53/378761753.db2.gz CUKQZXFWVRZZQB-UHFFFAOYSA-N 1 1 288.366 3.258 20 30 CGEDMO C=CCOCCCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000348049008 378766503 /nfs/dbraw/zinc/76/65/03/378766503.db2.gz HXVRXEBURZIDCE-SFHVURJKSA-N 1 1 294.483 3.167 20 30 CGEDMO C#CC[N@H+](Cc1cc(=O)oc2c(C)c(C)ccc12)C1CC1 ZINC000274233884 378796002 /nfs/dbraw/zinc/79/60/02/378796002.db2.gz WWLTYXKPHBGYQG-UHFFFAOYSA-N 1 1 281.355 3.007 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]Cc1occc1C ZINC000266198659 190239631 /nfs/dbraw/zinc/23/96/31/190239631.db2.gz KKMLBVOGKUICDM-UHFFFAOYSA-N 1 1 257.333 3.443 20 30 CGEDMO Cc1[nH+]ccn1CCCCNc1ccc(F)cc1C#N ZINC000266290470 190246749 /nfs/dbraw/zinc/24/67/49/190246749.db2.gz WLFQPYQAAMRYLD-UHFFFAOYSA-N 1 1 272.327 3.095 20 30 CGEDMO C[C@H]([NH2+]CCCCC#N)c1noc(Cc2ccccc2)n1 ZINC000348424930 378951644 /nfs/dbraw/zinc/95/16/44/378951644.db2.gz RUNFDYPVVALEHY-ZDUSSCGKSA-N 1 1 284.363 3.005 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCOC2(CCCC2)C1 ZINC000275777522 378959067 /nfs/dbraw/zinc/95/90/67/378959067.db2.gz ZMZPDOXQSYLZTI-AWEZNQCLSA-N 1 1 270.376 3.264 20 30 CGEDMO C[C@@H](C[N@@H+](C)Cc1cc(C#N)n(C)c1)c1ccccc1 ZINC000276804428 378999617 /nfs/dbraw/zinc/99/96/17/378999617.db2.gz WJKFQPRTBWIPPB-AWEZNQCLSA-N 1 1 267.376 3.132 20 30 CGEDMO C#CC[C@H]([NH2+][C@@H](C)c1cc(C(=O)OC)co1)c1ccccc1 ZINC000278626712 194074002 /nfs/dbraw/zinc/07/40/02/194074002.db2.gz GPBZAWQAUIOPEZ-BBRMVZONSA-N 1 1 297.354 3.481 20 30 CGEDMO CC[N@H+](Cc1ccc(C#N)s1)Cc1ccncc1 ZINC000348906611 379106779 /nfs/dbraw/zinc/10/67/79/379106779.db2.gz UMEFPLPULIHJEN-UHFFFAOYSA-N 1 1 257.362 3.037 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)s1)Cc1ccncc1 ZINC000348906611 379106788 /nfs/dbraw/zinc/10/67/88/379106788.db2.gz UMEFPLPULIHJEN-UHFFFAOYSA-N 1 1 257.362 3.037 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC000277458868 379164378 /nfs/dbraw/zinc/16/43/78/379164378.db2.gz QDXBZUUEDBPNGW-CQSZACIVSA-N 1 1 291.395 3.067 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC000277458868 379164388 /nfs/dbraw/zinc/16/43/88/379164388.db2.gz QDXBZUUEDBPNGW-CQSZACIVSA-N 1 1 291.395 3.067 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c1 ZINC000278849076 194182051 /nfs/dbraw/zinc/18/20/51/194182051.db2.gz RIZRHXSBUMLJLN-LLVKDONJSA-N 1 1 286.272 3.472 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](CC(F)(F)F)C2)c1 ZINC000278849076 194182053 /nfs/dbraw/zinc/18/20/53/194182053.db2.gz RIZRHXSBUMLJLN-LLVKDONJSA-N 1 1 286.272 3.472 20 30 CGEDMO C#Cc1ccc(C[NH2+][C@H](C)c2ncc(C)s2)cc1 ZINC000278839012 194178053 /nfs/dbraw/zinc/17/80/53/194178053.db2.gz DCDPRMTVKUNNCW-GFCCVEGCSA-N 1 1 256.374 3.284 20 30 CGEDMO C=CC[C@@H]1[N@H+](Cc2noc(CC)n2)CCCC1(C)C ZINC000277778865 379232485 /nfs/dbraw/zinc/23/24/85/379232485.db2.gz NQMKZXIDJUOZDR-LBPRGKRZSA-N 1 1 263.385 3.199 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2noc(CC)n2)CCCC1(C)C ZINC000277778865 379232489 /nfs/dbraw/zinc/23/24/89/379232489.db2.gz NQMKZXIDJUOZDR-LBPRGKRZSA-N 1 1 263.385 3.199 20 30 CGEDMO C=C(C)C[N@H+](Cc1cnn(C)c1C)Cc1ccccc1 ZINC000279409179 379428169 /nfs/dbraw/zinc/42/81/69/379428169.db2.gz VTTKWNNFTCKATF-UHFFFAOYSA-N 1 1 269.392 3.307 20 30 CGEDMO C=C(C)COc1cc(C[N@@H+](CC)CCOC)ccc1OC ZINC000349862746 379428904 /nfs/dbraw/zinc/42/89/04/379428904.db2.gz YIHFVXVIXBMGNG-UHFFFAOYSA-N 1 1 293.407 3.118 20 30 CGEDMO CC[N@H+](Cc1ccc(C)cc1-c1cnn(C)c1)C[C@@H](C)C#N ZINC000375026855 379485048 /nfs/dbraw/zinc/48/50/48/379485048.db2.gz GAQFJVKSSSQLPI-HNNXBMFYSA-N 1 1 296.418 3.377 20 30 CGEDMO C[C@H]1C[C@H](N2CCCC2)C[N@@H+]1CCCCC(C)(C)C#N ZINC000375760297 379509741 /nfs/dbraw/zinc/50/97/41/379509741.db2.gz FLOLYQFPFWPSIK-HOTGVXAUSA-N 1 1 277.456 3.265 20 30 CGEDMO C[C@H]1C[C@H](N2CCCC2)C[N@H+]1CCCCC(C)(C)C#N ZINC000375760297 379509746 /nfs/dbraw/zinc/50/97/46/379509746.db2.gz FLOLYQFPFWPSIK-HOTGVXAUSA-N 1 1 277.456 3.265 20 30 CGEDMO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000279804538 379521031 /nfs/dbraw/zinc/52/10/31/379521031.db2.gz PLTPTUFTYZIPNL-MLGOLLRUSA-N 1 1 292.810 3.337 20 30 CGEDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000279804538 379521033 /nfs/dbraw/zinc/52/10/33/379521033.db2.gz PLTPTUFTYZIPNL-MLGOLLRUSA-N 1 1 292.810 3.337 20 30 CGEDMO CC[C@](C)(C#N)C(=O)Nc1cccc2c1C[N@H+](C1CC1)C2 ZINC000376138327 379524314 /nfs/dbraw/zinc/52/43/14/379524314.db2.gz AOMUZBUCBBJPEK-QGZVFWFLSA-N 1 1 283.375 3.043 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C(C)(C)C1 ZINC000266939025 190292331 /nfs/dbraw/zinc/29/23/31/190292331.db2.gz PJGYDMRHOWXNBG-LBPRGKRZSA-N 1 1 296.374 3.229 20 30 CGEDMO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](CCC(C)(C)C#N)C1 ZINC000376550412 379577539 /nfs/dbraw/zinc/57/75/39/379577539.db2.gz DUIJLVOAHZAFHS-HIFRSBDPSA-N 1 1 257.381 3.404 20 30 CGEDMO C=CCCCC(=O)N1c2ccc(C)cc2[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000267188223 190309700 /nfs/dbraw/zinc/30/97/00/190309700.db2.gz ZHXIMXLFDOZYBY-AEFFLSMTSA-N 1 1 298.430 3.486 20 30 CGEDMO C=CCCCCN1CCC(C)([NH+]2CCCC2)CC1 ZINC000639983629 379673275 /nfs/dbraw/zinc/67/32/75/379673275.db2.gz LBTDRDYDFNSCIC-UHFFFAOYSA-N 1 1 250.430 3.293 20 30 CGEDMO C=CCN(CC[C@@H]1CCCC[N@@H+]1C)Cc1cccc(C#N)c1 ZINC000351638177 379734704 /nfs/dbraw/zinc/73/47/04/379734704.db2.gz KFTXOYJHAUMWAW-IBGZPJMESA-N 1 1 297.446 3.421 20 30 CGEDMO C=C(C)CC[N@@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000351719558 379740885 /nfs/dbraw/zinc/74/08/85/379740885.db2.gz MVLLEUZBVFEHCD-KRWDZBQOSA-N 1 1 259.393 3.226 20 30 CGEDMO C#CCC[N@@H+](CCc1ccccn1)Cc1ccc(OC)cc1 ZINC000280625305 379750299 /nfs/dbraw/zinc/75/02/99/379750299.db2.gz WYPZBJYWOLQTJM-UHFFFAOYSA-N 1 1 294.398 3.158 20 30 CGEDMO CCn1cccc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000267374191 190325291 /nfs/dbraw/zinc/32/52/91/190325291.db2.gz FGPGFSBGMBPIMG-UHFFFAOYSA-N 1 1 253.349 3.012 20 30 CGEDMO C=CCCCCCNC(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC000640618628 379825715 /nfs/dbraw/zinc/82/57/15/379825715.db2.gz MFHVMZQCDMLUCH-UHFFFAOYSA-N 1 1 290.411 3.011 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)ccc1C#N ZINC000282190056 379870675 /nfs/dbraw/zinc/87/06/75/379870675.db2.gz GEGAWVAEPWIWQZ-MRXNPFEDSA-N 1 1 281.359 3.232 20 30 CGEDMO CC(C)[C@@H]1CC[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000352683631 379907196 /nfs/dbraw/zinc/90/71/96/379907196.db2.gz KYLVHQXXGMFQCZ-KRWDZBQOSA-N 1 1 294.402 3.189 20 30 CGEDMO CSC[C@@H]1CCC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000399129993 379934970 /nfs/dbraw/zinc/93/49/70/379934970.db2.gz WGRGBFYDQWWWIM-MRXNPFEDSA-N 1 1 274.433 3.328 20 30 CGEDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1cc(C#N)ccc1OC ZINC000399742141 379943544 /nfs/dbraw/zinc/94/35/44/379943544.db2.gz JJRKYACRWMRNDG-DOMZBBRYSA-N 1 1 258.365 3.187 20 30 CGEDMO N#Cc1ccnc(S[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000283113774 380035734 /nfs/dbraw/zinc/03/57/34/380035734.db2.gz SCCAJYRCRNNDOK-INIZCTEOSA-N 1 1 295.411 3.320 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1ccc2c(c1)CCO2 ZINC000352934667 380047205 /nfs/dbraw/zinc/04/72/05/380047205.db2.gz WIVZZLBMLCISGF-UHFFFAOYSA-N 1 1 283.371 3.445 20 30 CGEDMO C=CC[N@H+](Cc1cccnc1N)CC1CCCCC1 ZINC000411258330 380136142 /nfs/dbraw/zinc/13/61/42/380136142.db2.gz LMUMTVNRJQKPEO-UHFFFAOYSA-N 1 1 259.397 3.232 20 30 CGEDMO N#CC1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411223567 380136711 /nfs/dbraw/zinc/13/67/11/380136711.db2.gz OVAFIURHMHFMTR-UHFFFAOYSA-N 1 1 297.446 3.408 20 30 CGEDMO COC(=O)C1([N@H+](C)CCC2(C#N)CCCCC2)CCCC1 ZINC000411389271 380141015 /nfs/dbraw/zinc/14/10/15/380141015.db2.gz VZBUHLYTABLANW-UHFFFAOYSA-N 1 1 292.423 3.268 20 30 CGEDMO COC(=O)C1([N@@H+](C)CCC2(C#N)CCCCC2)CCCC1 ZINC000411389271 380141023 /nfs/dbraw/zinc/14/10/23/380141023.db2.gz VZBUHLYTABLANW-UHFFFAOYSA-N 1 1 292.423 3.268 20 30 CGEDMO N#CC1(CC[N@H+]2CCOCC23CCC3)CCCCC1 ZINC000411394525 380142249 /nfs/dbraw/zinc/14/22/49/380142249.db2.gz BWKLARKQKVTJNB-UHFFFAOYSA-N 1 1 262.397 3.105 20 30 CGEDMO CO[C@@H](C[N@@H+](C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000283997536 380115052 /nfs/dbraw/zinc/11/50/52/380115052.db2.gz NJNWCSMHBVNLOQ-SFHVURJKSA-N 1 1 280.371 3.378 20 30 CGEDMO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1ccccc1CC ZINC000411164804 380132132 /nfs/dbraw/zinc/13/21/32/380132132.db2.gz MZUBRVCIVXRXRL-CQSZACIVSA-N 1 1 272.392 3.250 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCCCNc1cc(C#N)ccn1 ZINC000286196038 380173982 /nfs/dbraw/zinc/17/39/82/380173982.db2.gz FMIKTYRVVWTQFC-CQSZACIVSA-N 1 1 272.396 3.020 20 30 CGEDMO CC[C@@]1(CO)CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411574996 380151659 /nfs/dbraw/zinc/15/16/59/380151659.db2.gz WQCMXXDIIBUCCP-MRXNPFEDSA-N 1 1 278.440 3.335 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@H]2Cc2ccccc2)c1 ZINC000353998923 380272620 /nfs/dbraw/zinc/27/26/20/380272620.db2.gz YYFBDMNECYNGSF-SFHVURJKSA-N 1 1 262.356 3.375 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCC2(C1)CCOCC2 ZINC000354035596 380292075 /nfs/dbraw/zinc/29/20/75/380292075.db2.gz ZNOHPMYWGACJKZ-UHFFFAOYSA-N 1 1 287.403 3.254 20 30 CGEDMO C=C1CCN(C(=O)[C@@H](CC)[N@@H+](C)Cc2ccccc2)CC1 ZINC000354257858 380378099 /nfs/dbraw/zinc/37/80/99/380378099.db2.gz XXABRPFNDWBRHO-QGZVFWFLSA-N 1 1 286.419 3.076 20 30 CGEDMO Cc1cccc(N2CCC(Oc3ccc(C#N)cc3)CC2)[nH+]1 ZINC000354893747 380562950 /nfs/dbraw/zinc/56/29/50/380562950.db2.gz NAGUGBJLHIFBDJ-UHFFFAOYSA-N 1 1 293.370 3.310 20 30 CGEDMO Cc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)n(C)n1 ZINC000417715825 380670250 /nfs/dbraw/zinc/67/02/50/380670250.db2.gz JEAGOZSHAHQHJA-UHFFFAOYSA-N 1 1 282.391 3.011 20 30 CGEDMO C=CCC1(C(=O)Nc2cc(C)c3[nH+]ccn3c2)CCC1 ZINC000355474750 380679954 /nfs/dbraw/zinc/67/99/54/380679954.db2.gz NYNOUMKNRTYCOJ-UHFFFAOYSA-N 1 1 269.348 3.328 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@]3(CCSC3)C2)c1 ZINC000334747043 207008613 /nfs/dbraw/zinc/00/86/13/207008613.db2.gz JTECPQYQLGHDSB-AWEZNQCLSA-N 1 1 278.446 3.339 20 30 CGEDMO CC[C@H](C[N@H+](Cc1ccc(C#N)cc1)CC(C)C)OC ZINC000419194610 380775870 /nfs/dbraw/zinc/77/58/70/380775870.db2.gz QHYWCBZXLVIWJT-QGZVFWFLSA-N 1 1 274.408 3.441 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@H](CC)OC ZINC000419205149 380777870 /nfs/dbraw/zinc/77/78/70/380777870.db2.gz IUFXWQZRSYDEDY-HNNXBMFYSA-N 1 1 263.381 3.108 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](CCO)CC2)cc1 ZINC000421395659 380945049 /nfs/dbraw/zinc/94/50/49/380945049.db2.gz ITDLZHNZRNQFPA-MRXNPFEDSA-N 1 1 289.419 3.236 20 30 CGEDMO C[C@@H]1CC[N@@H+](CCOc2ccc(C#N)cc2)CC12CCC2 ZINC000357024345 380993989 /nfs/dbraw/zinc/99/39/89/380993989.db2.gz MTLFSYUVTDDOBW-OAHLLOKOSA-N 1 1 284.403 3.449 20 30 CGEDMO C[N@H+]1CC[C@@H](CSc2cccc(Cl)c2C#N)C1 ZINC000334780904 207065360 /nfs/dbraw/zinc/06/53/60/207065360.db2.gz GAMJHKRAOANRRX-SNVBAGLBSA-N 1 1 266.797 3.255 20 30 CGEDMO C=CCNC(=O)C[N@@H+](C1CC1)C1CC(c2ccccc2C)C1 ZINC000357788925 381282919 /nfs/dbraw/zinc/28/29/19/381282919.db2.gz DHXRWKBQVPUIFK-UHFFFAOYSA-N 1 1 298.430 3.008 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000184089255 262008114 /nfs/dbraw/zinc/00/81/14/262008114.db2.gz CAFWTLNUZBRAJY-GFCCVEGCSA-N 1 1 286.297 3.410 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000360345652 381522488 /nfs/dbraw/zinc/52/24/88/381522488.db2.gz RBNYTOCHIONUGA-HNNXBMFYSA-N 1 1 295.361 3.157 20 30 CGEDMO CC(C)CC[C@H](O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000361274510 381671402 /nfs/dbraw/zinc/67/14/02/381671402.db2.gz RWXIHKJEKFAXNE-AWEZNQCLSA-N 1 1 254.418 3.045 20 30 CGEDMO C=CCOCCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000361388662 381726917 /nfs/dbraw/zinc/72/69/17/381726917.db2.gz GJQAGLLVMWAMRB-WNRNVDISSA-N 1 1 295.467 3.231 20 30 CGEDMO COCC[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CC[C@@H](C)C1 ZINC000362147184 381887289 /nfs/dbraw/zinc/88/72/89/381887289.db2.gz DJHSUKRFRQACHY-DYVFJYSZSA-N 1 1 290.382 3.334 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C#N)cc1F)[C@H]1CC[C@@H](C)C1 ZINC000361634260 381846891 /nfs/dbraw/zinc/84/68/91/381846891.db2.gz AFESUAKEXFXPGD-CJNGLKHVSA-N 1 1 290.382 3.334 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C#N)cc1F)[C@@H]1CC[C@H](C)C1 ZINC000361634262 381846979 /nfs/dbraw/zinc/84/69/79/381846979.db2.gz AFESUAKEXFXPGD-XJKSGUPXSA-N 1 1 290.382 3.334 20 30 CGEDMO N#CCC[N@@H+](CCOc1ccc(Cl)c(F)c1)CC1CC1 ZINC000361830354 381872157 /nfs/dbraw/zinc/87/21/57/381872157.db2.gz QZVXPUZDOVZUNJ-UHFFFAOYSA-N 1 1 296.773 3.484 20 30 CGEDMO N#CCC[N@H+](CCOc1ccc(Cl)c(F)c1)CC1CC1 ZINC000361830354 381872162 /nfs/dbraw/zinc/87/21/62/381872162.db2.gz QZVXPUZDOVZUNJ-UHFFFAOYSA-N 1 1 296.773 3.484 20 30 CGEDMO COCC[N@@H+](Cc1cccc(C#N)c1F)[C@@H]1CC[C@H](C)C1 ZINC000362159181 381891448 /nfs/dbraw/zinc/89/14/48/381891448.db2.gz UTHCRTUKVLSMIP-XJKSGUPXSA-N 1 1 290.382 3.334 20 30 CGEDMO Cc1ccc2c(C)cc(NCC3(CC#N)CC3)[nH+]c2c1 ZINC000362360440 381956907 /nfs/dbraw/zinc/95/69/07/381956907.db2.gz UISDNBIUYQRCDZ-UHFFFAOYSA-N 1 1 265.360 3.379 20 30 CGEDMO COCCCC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000362424824 381985830 /nfs/dbraw/zinc/98/58/30/381985830.db2.gz LMCKMNNMPRDCON-UHFFFAOYSA-N 1 1 270.376 3.074 20 30 CGEDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2Cc2cccc(C#N)c2)C1 ZINC000281104226 195106122 /nfs/dbraw/zinc/10/61/22/195106122.db2.gz AQCFTEVYEXILAY-FCLVOEFKSA-N 1 1 298.430 3.320 20 30 CGEDMO CC1(C)CC[N@@H+](Cc2ccc(C#N)s2)CCS1 ZINC000335336371 208218943 /nfs/dbraw/zinc/21/89/43/208218943.db2.gz JPPHJKHXLAKTHE-UHFFFAOYSA-N 1 1 266.435 3.337 20 30 CGEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)cc2F)C1(C)C ZINC000353773382 220322467 /nfs/dbraw/zinc/32/24/67/220322467.db2.gz BRTLMLWYBHOMDB-HOTGVXAUSA-N 1 1 290.382 3.333 20 30 CGEDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C#N)cc2F)C[C@@H]1C ZINC000353767004 220315340 /nfs/dbraw/zinc/31/53/40/220315340.db2.gz JVBYWLAIPVJTRG-XJKSGUPXSA-N 1 1 289.398 3.002 20 30 CGEDMO C[C@H]([NH2+]Cc1cnn2ccccc12)c1ccc(C#N)cc1F ZINC000353871864 220379300 /nfs/dbraw/zinc/37/93/00/220379300.db2.gz ULHHRFYMXBAWMR-LBPRGKRZSA-N 1 1 294.333 3.196 20 30 CGEDMO C#CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(C)o1 ZINC000034993687 260003494 /nfs/dbraw/zinc/00/34/94/260003494.db2.gz MFYZJYMQGXLPDM-AWEZNQCLSA-N 1 1 269.344 3.451 20 30 CGEDMO COc1ccc(C[N@H+]2CC(C)(C)C[C@H]2C)cc1C#N ZINC000412042817 533552828 /nfs/dbraw/zinc/55/28/28/533552828.db2.gz NCEKSUVTCMBQOI-GFCCVEGCSA-N 1 1 258.365 3.187 20 30 CGEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(C#N)n(C)c2)cc1 ZINC000191149752 130191073 /nfs/dbraw/zinc/19/10/73/130191073.db2.gz QAHSXZJHEFWVKP-SFHVURJKSA-N 1 1 295.386 3.242 20 30 CGEDMO CC[N@@H+](Cc1cc(C#N)n(C)c1)[C@H](C)Cc1ccsc1 ZINC000191535918 130250967 /nfs/dbraw/zinc/25/09/67/130250967.db2.gz YMILXPLQHCMUDH-CYBMUJFWSA-N 1 1 287.432 3.411 20 30 CGEDMO CC(C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000049442449 392047983 /nfs/dbraw/zinc/04/79/83/392047983.db2.gz IQEZCISGAOYZIE-LLVKDONJSA-N 1 1 293.798 3.126 20 30 CGEDMO Cc1cc(C[N@@H+](C)[C@@H](C)CC#N)ccc1Br ZINC000093090562 392234863 /nfs/dbraw/zinc/23/48/63/392234863.db2.gz KZOPDRHPXUOTPC-NSHDSACASA-N 1 1 281.197 3.492 20 30 CGEDMO Cc1cc(C[N@H+](C)[C@@H](C)CC#N)ccc1Br ZINC000093090562 392234865 /nfs/dbraw/zinc/23/48/65/392234865.db2.gz KZOPDRHPXUOTPC-NSHDSACASA-N 1 1 281.197 3.492 20 30 CGEDMO CC[C@@H](CSC)[N@@H+](C)CCOc1ccccc1C#N ZINC000091097176 392230095 /nfs/dbraw/zinc/23/00/95/392230095.db2.gz ILWIYDGKZHYJNX-AWEZNQCLSA-N 1 1 278.421 3.010 20 30 CGEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)c(F)c2)C1(C)C ZINC000361839310 392340470 /nfs/dbraw/zinc/34/04/70/392340470.db2.gz HVUAXZQHJKEVCZ-HOTGVXAUSA-N 1 1 290.382 3.333 20 30 CGEDMO C#CCOc1ccccc1C[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000286045122 392367921 /nfs/dbraw/zinc/36/79/21/392367921.db2.gz JZHFWTKKUFGNFI-HNNXBMFYSA-N 1 1 280.371 3.253 20 30 CGEDMO C=CCCC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000264022906 131381239 /nfs/dbraw/zinc/38/12/39/131381239.db2.gz YWKWVOLUKISCKU-UHFFFAOYSA-N 1 1 290.432 3.140 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)Cc2cnc(C)s2)cc1 ZINC000289069043 392413627 /nfs/dbraw/zinc/41/36/27/392413627.db2.gz JORYEMGBXIYYMD-UHFFFAOYSA-N 1 1 256.374 3.065 20 30 CGEDMO C#Cc1ccc(C[N@@H+](C)Cc2cnc(C)s2)cc1 ZINC000289069043 392413630 /nfs/dbraw/zinc/41/36/30/392413630.db2.gz JORYEMGBXIYYMD-UHFFFAOYSA-N 1 1 256.374 3.065 20 30 CGEDMO CC(C)Oc1cc(C[N@@H+](CCCC#N)C2CC2)ccn1 ZINC000122389966 392420833 /nfs/dbraw/zinc/42/08/33/392420833.db2.gz BDVLTXLWKABUHT-UHFFFAOYSA-N 1 1 273.380 3.137 20 30 CGEDMO Cn1cc(C[N@H+]2Cc3ccccc3OC(C)(C)C2)cc1C#N ZINC000290242646 392443787 /nfs/dbraw/zinc/44/37/87/392443787.db2.gz UUCAPBOMYQCFAW-UHFFFAOYSA-N 1 1 295.386 3.070 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000366161492 392451086 /nfs/dbraw/zinc/45/10/86/392451086.db2.gz CSWSLAAOXKYVBO-CVEARBPZSA-N 1 1 277.433 3.104 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000366161502 392451415 /nfs/dbraw/zinc/45/14/15/392451415.db2.gz CSWSLAAOXKYVBO-JKSUJKDBSA-N 1 1 277.433 3.104 20 30 CGEDMO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1noc(COC(C)C)n1 ZINC000290827041 392455093 /nfs/dbraw/zinc/45/50/93/392455093.db2.gz HFVOALSENUOXOE-RWMBFGLXSA-N 1 1 281.400 3.246 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cn2cc(Cl)ccc2n1 ZINC000121083256 392406209 /nfs/dbraw/zinc/40/62/09/392406209.db2.gz FCZUBUWRXLAHCA-UHFFFAOYSA-N 1 1 263.772 3.386 20 30 CGEDMO CC[N@H+]1CCCC[C@@H]1CNc1c(C#N)cnc2ccccc21 ZINC000301517168 392594008 /nfs/dbraw/zinc/59/40/08/392594008.db2.gz DCTKQMXFZGDUQR-OAHLLOKOSA-N 1 1 294.402 3.393 20 30 CGEDMO Cc1cc(C)c2ncc(C#N)c(NCC[N@H+](C)C(C)C)c2c1 ZINC000301513033 392594193 /nfs/dbraw/zinc/59/41/93/392594193.db2.gz BCUNMNSZWBGPFR-UHFFFAOYSA-N 1 1 296.418 3.475 20 30 CGEDMO N#Cc1ccc(C2=CC[N@H+](Cc3ccc(F)nc3)CC2)cc1 ZINC000372358644 392604048 /nfs/dbraw/zinc/60/40/48/392604048.db2.gz NTXMMIXYKWGJTK-UHFFFAOYSA-N 1 1 293.345 3.382 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3ccc(F)nc3)CC2)cc1 ZINC000372358644 392604051 /nfs/dbraw/zinc/60/40/51/392604051.db2.gz NTXMMIXYKWGJTK-UHFFFAOYSA-N 1 1 293.345 3.382 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000372373721 392605280 /nfs/dbraw/zinc/60/52/80/392605280.db2.gz DNWYRBYVGJYSHV-CQSZACIVSA-N 1 1 299.349 3.078 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000178654205 392683754 /nfs/dbraw/zinc/68/37/54/392683754.db2.gz GWWBZFSOEAOMBY-LLVKDONJSA-N 1 1 299.305 3.456 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)CCOc1ccccc1C#N ZINC000173543117 392627199 /nfs/dbraw/zinc/62/71/99/392627199.db2.gz UGDMRADSQBXBPG-UHFFFAOYSA-N 1 1 285.391 3.199 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)CCOc1ccccc1C#N ZINC000173543117 392627204 /nfs/dbraw/zinc/62/72/04/392627204.db2.gz UGDMRADSQBXBPG-UHFFFAOYSA-N 1 1 285.391 3.199 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000181324218 392728209 /nfs/dbraw/zinc/72/82/09/392728209.db2.gz DQORXRPIMOGYKM-AWEZNQCLSA-N 1 1 287.325 3.117 20 30 CGEDMO C[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)CCS1 ZINC000192174446 392840099 /nfs/dbraw/zinc/84/00/99/392840099.db2.gz CLXHJTVBIHBBED-ZDUSSCGKSA-N 1 1 263.381 3.005 20 30 CGEDMO Cc1cnc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)s1 ZINC000335183497 392781152 /nfs/dbraw/zinc/78/11/52/392781152.db2.gz WXUAOVJXBGGELX-AWEZNQCLSA-N 1 1 269.373 3.100 20 30 CGEDMO C=CCCCC[N@@H+]1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000519803236 392895312 /nfs/dbraw/zinc/89/53/12/392895312.db2.gz UGIRLNAVBRRZTI-QGZVFWFLSA-N 1 1 275.392 3.425 20 30 CGEDMO C=CCCCC[N@H+]1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000519803236 392895317 /nfs/dbraw/zinc/89/53/17/392895317.db2.gz UGIRLNAVBRRZTI-QGZVFWFLSA-N 1 1 275.392 3.425 20 30 CGEDMO N#CCC[N@@H+](CC1CC1)C[C@H]1CCCC(F)(F)C1 ZINC000338310483 392909402 /nfs/dbraw/zinc/90/94/02/392909402.db2.gz XSKTZCZFCHSRCN-ZDUSSCGKSA-N 1 1 256.340 3.438 20 30 CGEDMO C[C@H](C#N)C[N@H+](CCc1ccc(F)c(F)c1)C1CC1 ZINC000338348461 392910870 /nfs/dbraw/zinc/91/08/70/392910870.db2.gz KVUOVCNDQXOIIP-LLVKDONJSA-N 1 1 264.319 3.131 20 30 CGEDMO C[C@H](C#N)C[N@@H+](CCc1ccc(F)c(F)c1)C1CC1 ZINC000338348461 392910875 /nfs/dbraw/zinc/91/08/75/392910875.db2.gz KVUOVCNDQXOIIP-LLVKDONJSA-N 1 1 264.319 3.131 20 30 CGEDMO Cc1ccc([C@@H]2CCC[N@H+]2CCOCCC#N)cc1 ZINC000338879181 392934371 /nfs/dbraw/zinc/93/43/71/392934371.db2.gz AZXCHBBVXTYKBY-INIZCTEOSA-N 1 1 258.365 3.062 20 30 CGEDMO CCCC[N@@H+](CCOCCC#N)C1CCCCC1 ZINC000338938566 392935282 /nfs/dbraw/zinc/93/52/82/392935282.db2.gz XHNGPZWJEORBTG-UHFFFAOYSA-N 1 1 252.402 3.351 20 30 CGEDMO C=CCOCC[N@H+](CC)Cc1cccc(Cl)c1 ZINC000338914402 392936458 /nfs/dbraw/zinc/93/64/58/392936458.db2.gz YBLDWMVFEGKOMC-UHFFFAOYSA-N 1 1 253.773 3.365 20 30 CGEDMO C=CCOCCC[N@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000338585045 392921002 /nfs/dbraw/zinc/92/10/02/392921002.db2.gz JLWPKLOEBCECFP-MRXNPFEDSA-N 1 1 281.346 3.289 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000338585045 392921006 /nfs/dbraw/zinc/92/10/06/392921006.db2.gz JLWPKLOEBCECFP-MRXNPFEDSA-N 1 1 281.346 3.289 20 30 CGEDMO C=CC[N@@H+](Cc1ccnn1CCCOC)Cc1ccccc1 ZINC000338948367 392938115 /nfs/dbraw/zinc/93/81/15/392938115.db2.gz LYKQISLJOJWXKQ-UHFFFAOYSA-N 1 1 299.418 3.108 20 30 CGEDMO C=CC[N@H+](Cc1ccnn1CCCOC)Cc1ccccc1 ZINC000338948367 392938121 /nfs/dbraw/zinc/93/81/21/392938121.db2.gz LYKQISLJOJWXKQ-UHFFFAOYSA-N 1 1 299.418 3.108 20 30 CGEDMO COc1ccc(C[N@@H+](C)C2CC(C)(C)C2)cc1C#N ZINC000395484756 392940839 /nfs/dbraw/zinc/94/08/39/392940839.db2.gz PBRDKNPFLFJSPS-UHFFFAOYSA-N 1 1 258.365 3.187 20 30 CGEDMO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@H+]1CCOCCC#N ZINC000339062222 392942775 /nfs/dbraw/zinc/94/27/75/392942775.db2.gz ZZSSSURMCBETLX-CHWSQXEVSA-N 1 1 276.355 3.064 20 30 CGEDMO Cc1cc(CNC[C@@H]2CC[N@@H+]2C2CCCCC2)ccc1C#N ZINC000527753193 392958899 /nfs/dbraw/zinc/95/88/99/392958899.db2.gz QVPCOOWTRQOOAI-IBGZPJMESA-N 1 1 297.446 3.363 20 30 CGEDMO Cc1cc(CNC[C@@H]2CC[N@H+]2C2CCCCC2)ccc1C#N ZINC000527753193 392958903 /nfs/dbraw/zinc/95/89/03/392958903.db2.gz QVPCOOWTRQOOAI-IBGZPJMESA-N 1 1 297.446 3.363 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+]1CCC(F)(F)C[C@@H]1C ZINC000528771226 392971134 /nfs/dbraw/zinc/97/11/34/392971134.db2.gz SQQUPPPEEJMRFN-NSHDSACASA-N 1 1 280.318 3.186 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC(F)(F)C[C@@H]1C ZINC000528771226 392971140 /nfs/dbraw/zinc/97/11/40/392971140.db2.gz SQQUPPPEEJMRFN-NSHDSACASA-N 1 1 280.318 3.186 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)Cc1ccc(C#N)cc1Cl ZINC000411644149 392984960 /nfs/dbraw/zinc/98/49/60/392984960.db2.gz IZFRRJYQWOVSLV-UHFFFAOYSA-N 1 1 291.826 3.151 20 30 CGEDMO CC[C@@H]1C[N@@H+](CC)CCN1CCC1(C#N)CCCCC1 ZINC000411788179 392988736 /nfs/dbraw/zinc/98/87/36/392988736.db2.gz GCPITBFSGNZOAV-MRXNPFEDSA-N 1 1 277.456 3.267 20 30 CGEDMO CC[C@@H]1CN(CC)CC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411788179 392988739 /nfs/dbraw/zinc/98/87/39/392988739.db2.gz GCPITBFSGNZOAV-MRXNPFEDSA-N 1 1 277.456 3.267 20 30 CGEDMO CC[C@@H]1CN(CC)CC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411788179 392988742 /nfs/dbraw/zinc/98/87/42/392988742.db2.gz GCPITBFSGNZOAV-MRXNPFEDSA-N 1 1 277.456 3.267 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@@H]2CC[C@H](C#N)C2)cc1Cl ZINC000412024036 392992471 /nfs/dbraw/zinc/99/24/71/392992471.db2.gz BCSNTBGUJTZDCA-WCQYABFASA-N 1 1 278.783 3.473 20 30 CGEDMO C[N@H+](Cc1ccc(F)cc1)Cc1cccc(C#N)c1F ZINC000219508754 393002001 /nfs/dbraw/zinc/00/20/01/393002001.db2.gz ZJNPKAUHPLMAAZ-UHFFFAOYSA-N 1 1 272.298 3.468 20 30 CGEDMO C[N@@H+](Cc1ccc(F)cc1)Cc1cccc(C#N)c1F ZINC000219508754 393002007 /nfs/dbraw/zinc/00/20/07/393002007.db2.gz ZJNPKAUHPLMAAZ-UHFFFAOYSA-N 1 1 272.298 3.468 20 30 CGEDMO N#CC1(C[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)CC1 ZINC000343145338 393019979 /nfs/dbraw/zinc/01/99/79/393019979.db2.gz BUBBSGAHHNRUQO-OAHLLOKOSA-N 1 1 258.340 3.136 20 30 CGEDMO N#CC1(C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)CC1 ZINC000343145338 393019981 /nfs/dbraw/zinc/01/99/81/393019981.db2.gz BUBBSGAHHNRUQO-OAHLLOKOSA-N 1 1 258.340 3.136 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)N1CCCCC1 ZINC000346272439 393082138 /nfs/dbraw/zinc/08/21/38/393082138.db2.gz HITWLFOMERNELV-CQSZACIVSA-N 1 1 292.448 3.137 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)N1CCCCC1 ZINC000346272439 393082144 /nfs/dbraw/zinc/08/21/44/393082144.db2.gz HITWLFOMERNELV-CQSZACIVSA-N 1 1 292.448 3.137 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000346243504 393080697 /nfs/dbraw/zinc/08/06/97/393080697.db2.gz STHHNRFENYTMAU-OCCSQVGLSA-N 1 1 275.396 3.481 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000253096365 393128146 /nfs/dbraw/zinc/12/81/46/393128146.db2.gz QGBHKVYHCFIALK-KURKYZTESA-N 1 1 284.403 3.074 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](COC(F)F)C2)cc1 ZINC000348882608 393134003 /nfs/dbraw/zinc/13/40/03/393134003.db2.gz YZNSAMKWILLCSM-CQSZACIVSA-N 1 1 297.345 3.313 20 30 CGEDMO C[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccc(C#N)c(F)c1 ZINC000271925524 393257185 /nfs/dbraw/zinc/25/71/85/393257185.db2.gz GHGINQSDIKWGHO-ZUZCIYMTSA-N 1 1 284.338 3.149 20 30 CGEDMO C[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1ccc(C#N)c(F)c1 ZINC000271925524 393257189 /nfs/dbraw/zinc/25/71/89/393257189.db2.gz GHGINQSDIKWGHO-ZUZCIYMTSA-N 1 1 284.338 3.149 20 30 CGEDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000470948095 393267691 /nfs/dbraw/zinc/26/76/91/393267691.db2.gz KHGVURNUXVIYBX-RISCZKNCSA-N 1 1 298.308 3.210 20 30 CGEDMO CC[C@H](C)[C@@H](C)[N@@H+](Cc1nc(C#N)cs1)C1CC1 ZINC000356219714 393386315 /nfs/dbraw/zinc/38/63/15/393386315.db2.gz ODVGLDDTPDQATO-WDEREUQCSA-N 1 1 263.410 3.414 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000472576931 393336784 /nfs/dbraw/zinc/33/67/84/393336784.db2.gz IWDCNMXHENQHCV-ULQDDVLXSA-N 1 1 273.420 3.500 20 30 CGEDMO C[C@@H](CCN(C)C)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000356169295 393366097 /nfs/dbraw/zinc/36/60/97/393366097.db2.gz RHIRIEGYDGCRIJ-NSHDSACASA-N 1 1 299.340 3.007 20 30 CGEDMO Cc1cccc2c1C[N@H+](Cc1ccccc1C#N)CC2 ZINC000429561512 393479906 /nfs/dbraw/zinc/47/99/06/393479906.db2.gz RNOBFYWWEDDIEG-UHFFFAOYSA-N 1 1 262.356 3.425 20 30 CGEDMO Cc1cccc2c1C[N@@H+](Cc1ccccc1C#N)CC2 ZINC000429561512 393479915 /nfs/dbraw/zinc/47/99/15/393479915.db2.gz RNOBFYWWEDDIEG-UHFFFAOYSA-N 1 1 262.356 3.425 20 30 CGEDMO CCC1(CC)CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000356444899 393446694 /nfs/dbraw/zinc/44/66/94/393446694.db2.gz YQGQPRIJSNAZPQ-UHFFFAOYSA-N 1 1 263.410 3.417 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000429565166 393482088 /nfs/dbraw/zinc/48/20/88/393482088.db2.gz HBHJVNRADIYNOY-DOMZBBRYSA-N 1 1 258.365 3.187 20 30 CGEDMO C[C@@H]1CC[C@@H]([N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000429568281 393484161 /nfs/dbraw/zinc/48/41/61/393484161.db2.gz ZSNIUOMYTXLTBU-IUODEOHRSA-N 1 1 296.374 3.229 20 30 CGEDMO C[C@H]1C[C@H]1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000488347003 393492954 /nfs/dbraw/zinc/49/29/54/393492954.db2.gz AENHGZORTYEFIR-GUYCJALGSA-N 1 1 252.361 3.303 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@H](C)CSc1ccccc1 ZINC000649665691 393534142 /nfs/dbraw/zinc/53/41/42/393534142.db2.gz STLMNVJOXWLSAC-CABCVRRESA-N 1 1 279.449 3.426 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)CC12CCC2 ZINC000361106780 393673810 /nfs/dbraw/zinc/67/38/10/393673810.db2.gz OUUVWTHKCGEGJX-CQSZACIVSA-N 1 1 294.402 3.218 20 30 CGEDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000443311509 393750971 /nfs/dbraw/zinc/75/09/71/393750971.db2.gz LJZYAYPULYUSDV-HSMVNMDESA-N 1 1 292.810 3.193 20 30 CGEDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000443311509 393750974 /nfs/dbraw/zinc/75/09/74/393750974.db2.gz LJZYAYPULYUSDV-HSMVNMDESA-N 1 1 292.810 3.193 20 30 CGEDMO Cc1cc(N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c(C#N)cn1 ZINC000425207565 393690119 /nfs/dbraw/zinc/69/01/19/393690119.db2.gz MZFVBTDQPDSKQW-UXLLHSPISA-N 1 1 298.434 3.103 20 30 CGEDMO C#C[C@@H](CC)[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000491630005 393697914 /nfs/dbraw/zinc/69/79/14/393697914.db2.gz NJJORGZSWPKVQW-NSHDSACASA-N 1 1 262.403 3.373 20 30 CGEDMO Cc1cc(CNC[C@H](C2CCCCC2)[NH+](C)C)ccc1C#N ZINC000443972397 393779358 /nfs/dbraw/zinc/77/93/58/393779358.db2.gz XXYOMWFQTVSKKN-LJQANCHMSA-N 1 1 299.462 3.467 20 30 CGEDMO Cc1cc(CNC[C@@H](C)[NH+]2CCC(C)CC2)ccc1C#N ZINC000443989724 393780103 /nfs/dbraw/zinc/78/01/03/393780103.db2.gz RFAGJZGEPSBREZ-MRXNPFEDSA-N 1 1 285.435 3.077 20 30 CGEDMO N#Cc1cccc(C[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)c1 ZINC000449530497 393884737 /nfs/dbraw/zinc/88/47/37/393884737.db2.gz ADWIIWHQYPUQIL-IAGOWNOFSA-N 1 1 252.361 3.179 20 30 CGEDMO COc1ccc(C[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)cc1C#N ZINC000449545660 393893713 /nfs/dbraw/zinc/89/37/13/393893713.db2.gz ZEYQWWLXCISBGL-SJLPKXTDSA-N 1 1 282.387 3.187 20 30 CGEDMO CC1(C)CCCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000446076307 393846599 /nfs/dbraw/zinc/84/65/99/393846599.db2.gz AMSLIPCPZSFYGD-UHFFFAOYSA-N 1 1 285.391 3.009 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCOCC23CCCCC3)s1 ZINC000449623903 393924387 /nfs/dbraw/zinc/92/43/87/393924387.db2.gz KZZNDJNEQBFMOF-UHFFFAOYSA-N 1 1 276.405 3.155 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCOCC23CCCCC3)s1 ZINC000449623903 393924389 /nfs/dbraw/zinc/92/43/89/393924389.db2.gz KZZNDJNEQBFMOF-UHFFFAOYSA-N 1 1 276.405 3.155 20 30 CGEDMO C=CCCCCC[N@@H+](C)Cc1ccnn1-c1ccncc1 ZINC000667649871 542905335 /nfs/dbraw/zinc/90/53/35/542905335.db2.gz FDIXMTXMANWPOP-UHFFFAOYSA-N 1 1 284.407 3.446 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1ccnn1-c1ccncc1 ZINC000667649871 542905337 /nfs/dbraw/zinc/90/53/37/542905337.db2.gz FDIXMTXMANWPOP-UHFFFAOYSA-N 1 1 284.407 3.446 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cncc(Br)c1C ZINC000667943518 542947388 /nfs/dbraw/zinc/94/73/88/542947388.db2.gz RSUSVNAMTDYXMK-UHFFFAOYSA-N 1 1 269.186 3.160 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2cnc(C)n2C)CCCC1(C)C ZINC000668070548 542965205 /nfs/dbraw/zinc/96/52/05/542965205.db2.gz STEHOSFMMOGJCP-OAHLLOKOSA-N 1 1 261.413 3.295 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(COC)cs1 ZINC000668078765 542966482 /nfs/dbraw/zinc/96/64/82/542966482.db2.gz UIHQMRIASLSQGL-CYBMUJFWSA-N 1 1 251.395 3.435 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cnn2c1CCC2)Cc1ccccc1 ZINC000668090022 542968061 /nfs/dbraw/zinc/96/80/61/542968061.db2.gz DFUFQOFFKFUPIT-UHFFFAOYSA-N 1 1 281.403 3.408 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000668463158 543016251 /nfs/dbraw/zinc/01/62/51/543016251.db2.gz MWTMUINHLYXMKY-GOSISDBHSA-N 1 1 287.403 3.252 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000668463158 543016253 /nfs/dbraw/zinc/01/62/53/543016253.db2.gz MWTMUINHLYXMKY-GOSISDBHSA-N 1 1 287.403 3.252 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2nc3c(s2)CCC3)C1 ZINC000668493362 543019814 /nfs/dbraw/zinc/01/98/14/543019814.db2.gz NHIBETZALDVFRG-LBPRGKRZSA-N 1 1 262.422 3.420 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2cn(-c3ccncc3)nc2C)C1 ZINC000668493358 543021017 /nfs/dbraw/zinc/02/10/17/543021017.db2.gz NGIYPVUMXJICSL-MRXNPFEDSA-N 1 1 296.418 3.364 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cn(-c3ccncc3)nc2C)C1 ZINC000668493358 543021021 /nfs/dbraw/zinc/02/10/21/543021021.db2.gz NGIYPVUMXJICSL-MRXNPFEDSA-N 1 1 296.418 3.364 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccccc2NC(C)=O)C1 ZINC000668494142 543020928 /nfs/dbraw/zinc/02/09/28/543020928.db2.gz WNHIRDULPBNIIH-OAHLLOKOSA-N 1 1 272.392 3.433 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000672578681 543217999 /nfs/dbraw/zinc/21/79/99/543217999.db2.gz VNKUMWNEPSOZKR-DGCLKSJQSA-N 1 1 251.395 3.068 20 30 CGEDMO C=CCCC[C@H](C)Nc1nc(N2CCCC2)cc[nH+]1 ZINC000678832291 543564860 /nfs/dbraw/zinc/56/48/60/543564860.db2.gz FTZQEQBEWSJARM-ZDUSSCGKSA-N 1 1 260.385 3.234 20 30 CGEDMO Cc1ccc(C#N)cc1NC(=O)CCn1cc[nH+]c1C(C)C ZINC000081301408 287072182 /nfs/dbraw/zinc/07/21/82/287072182.db2.gz RLSCBERVXGZTQM-UHFFFAOYSA-N 1 1 296.374 3.215 20 30 CGEDMO COc1ccc(C[N@H+]2CCCCC[C@H]2C)cc1C#N ZINC000087833434 165188745 /nfs/dbraw/zinc/18/87/45/165188745.db2.gz AHKITABJJQEPOS-CYBMUJFWSA-N 1 1 258.365 3.331 20 30 CGEDMO CC[N@@H+](Cc1ccc(OC)c(C#N)c1)C1CCCC1 ZINC000087833159 165190454 /nfs/dbraw/zinc/19/04/54/165190454.db2.gz QYTLLVUPABGQDY-UHFFFAOYSA-N 1 1 258.365 3.331 20 30 CGEDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2cc(C#N)cs2)C1(C)C ZINC000093871904 165338160 /nfs/dbraw/zinc/33/81/60/165338160.db2.gz RVQHWJHXHUITGZ-HIFRSBDPSA-N 1 1 278.421 3.255 20 30 CGEDMO CCC(CC)C[N@@H+](CC)Cc1cnc2ccc(C#N)cn12 ZINC000119801924 287174111 /nfs/dbraw/zinc/17/41/11/287174111.db2.gz NUOOGHRZBYHCGM-UHFFFAOYSA-N 1 1 284.407 3.464 20 30 CGEDMO N#Cc1cccc(OCCC[N@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000125894147 287252648 /nfs/dbraw/zinc/25/26/48/287252648.db2.gz WKUZLGBMZLWEFO-IYBDPMFKSA-N 1 1 270.376 3.059 20 30 CGEDMO CN(CCC[N@@H+](C)Cc1ccco1)Cc1ccccc1C#N ZINC000285507510 196308125 /nfs/dbraw/zinc/30/81/25/196308125.db2.gz DCRYIPLSEYEZIF-UHFFFAOYSA-N 1 1 297.402 3.105 20 30 CGEDMO C[C@H](CN[C@@H](C)c1cccc(C#N)c1)[NH+]1CCCCC1 ZINC000038029129 174019203 /nfs/dbraw/zinc/01/92/03/174019203.db2.gz GEBDYMDZUFTHHS-CABCVRRESA-N 1 1 271.408 3.083 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@H](OC)CC1 ZINC000680003608 543675126 /nfs/dbraw/zinc/67/51/26/543675126.db2.gz IOOLXTXKWHPXDF-INIZCTEOSA-N 1 1 275.392 3.252 20 30 CGEDMO CCOc1cc(Cl)ccc1C[NH2+]Cc1ccc(C#N)o1 ZINC000130591177 287359044 /nfs/dbraw/zinc/35/90/44/287359044.db2.gz HZBJMHHVXXOOGC-UHFFFAOYSA-N 1 1 290.750 3.493 20 30 CGEDMO N#C[C@H]1CC[C@@H]([N@H+]2CCSC3(CCC3)CC2)C1 ZINC000334732651 225293520 /nfs/dbraw/zinc/29/35/20/225293520.db2.gz MMMLKPYIDSFIHR-QWHCGFSZSA-N 1 1 250.411 3.040 20 30 CGEDMO Cn1c[nH+]c2cc(NC3CCC(C)(C#N)CC3)ccc21 ZINC000334756509 225309707 /nfs/dbraw/zinc/30/97/07/225309707.db2.gz KUFXFIOREIHZCV-UHFFFAOYSA-N 1 1 268.364 3.458 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2c[nH]nc2c1 ZINC000131167308 287372435 /nfs/dbraw/zinc/37/24/35/287372435.db2.gz PQRVXFNGLQQRAQ-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1csc(-c2cnn(C)c2)n1 ZINC000683793249 543943207 /nfs/dbraw/zinc/94/32/07/543943207.db2.gz WCVMIICKXHXKNB-AWEZNQCLSA-N 1 1 288.420 3.084 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1csc(-c2cnn(C)c2)n1 ZINC000683793249 543943209 /nfs/dbraw/zinc/94/32/09/543943209.db2.gz WCVMIICKXHXKNB-AWEZNQCLSA-N 1 1 288.420 3.084 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)NC2CC2)cc1 ZINC000683843388 543948118 /nfs/dbraw/zinc/94/81/18/543948118.db2.gz AZMBUUZPGBJRMR-KRWDZBQOSA-N 1 1 284.403 3.119 20 30 CGEDMO N#CC1(C[NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)CC1 ZINC000352813282 227250799 /nfs/dbraw/zinc/25/07/99/227250799.db2.gz ATWJFMCBNGFTDI-CYBMUJFWSA-N 1 1 299.201 3.310 20 30 CGEDMO C=CCCn1cc(C[N@@H+](CCC)Cc2ccccc2)nn1 ZINC000653479458 419033870 /nfs/dbraw/zinc/03/38/70/419033870.db2.gz UIMMHEVTMSOTJT-UHFFFAOYSA-N 1 1 284.407 3.266 20 30 CGEDMO C=CCCn1cc(C[N@H+](CCC)Cc2ccccc2)nn1 ZINC000653479458 419033873 /nfs/dbraw/zinc/03/38/73/419033873.db2.gz UIMMHEVTMSOTJT-UHFFFAOYSA-N 1 1 284.407 3.266 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CC[C@H](C)[C@H]3CCCC[C@@H]32)nn1 ZINC000653493477 419038080 /nfs/dbraw/zinc/03/80/80/419038080.db2.gz XRSLCAPIVKIWPC-UAGQMJEPSA-N 1 1 288.439 3.255 20 30 CGEDMO C=CCCn1cc(C[N@@H+](C2CC2)C2CCC(C)CC2)nn1 ZINC000653498620 419038302 /nfs/dbraw/zinc/03/83/02/419038302.db2.gz DGMVGWLUMWAARP-UHFFFAOYSA-N 1 1 288.439 3.397 20 30 CGEDMO C=CC[N@H+](CCO[C@@H]1CC1(F)F)Cc1ccccc1 ZINC000659824123 419003215 /nfs/dbraw/zinc/00/32/15/419003215.db2.gz ZHUWUJHSNAMWTH-CQSZACIVSA-N 1 1 267.319 3.099 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@H](c2cccs2)C2CC2)nn1 ZINC000653598438 419057720 /nfs/dbraw/zinc/05/77/20/419057720.db2.gz ZVBXEEBBRSLJJW-HNNXBMFYSA-N 1 1 288.420 3.157 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@@H](CC2CC2)c2ccccc2)nn1 ZINC000653605290 419058103 /nfs/dbraw/zinc/05/81/03/419058103.db2.gz QKFRBVYISRKHKN-SFHVURJKSA-N 1 1 296.418 3.485 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CCC=C(c3ccccc3)C2)nn1 ZINC000653664905 419067165 /nfs/dbraw/zinc/06/71/65/419067165.db2.gz AJTGWJKWNKOIJM-UHFFFAOYSA-N 1 1 294.402 3.144 20 30 CGEDMO C=CCCn1cc(C[N@H+]2CCC=C(c3ccccc3)C2)nn1 ZINC000653664905 419067168 /nfs/dbraw/zinc/06/71/68/419067168.db2.gz AJTGWJKWNKOIJM-UHFFFAOYSA-N 1 1 294.402 3.144 20 30 CGEDMO C=C[C@H]1CCCCN1CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660430423 419143405 /nfs/dbraw/zinc/14/34/05/419143405.db2.gz TZVODVUKHDSPPR-XHSDSOJGSA-N 1 1 250.430 3.005 20 30 CGEDMO C=CC[C@@H](Cc1ccccc1)n1cc(C[NH+]2CCCC2)nn1 ZINC000656456928 419173593 /nfs/dbraw/zinc/17/35/93/419173593.db2.gz APZXWDKJCNBZFW-SFHVURJKSA-N 1 1 296.418 3.234 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000660719067 419185901 /nfs/dbraw/zinc/18/59/01/419185901.db2.gz XGLZHPAJEZUWQY-OAHLLOKOSA-N 1 1 286.423 3.140 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NCc2cccs2)C1 ZINC000661378884 419254911 /nfs/dbraw/zinc/25/49/11/419254911.db2.gz NSNXSBREOFJMOV-UONOGXRCSA-N 1 1 292.448 3.041 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2nc(CCC(C)C)no2)C1 ZINC000661379106 419256074 /nfs/dbraw/zinc/25/60/74/419256074.db2.gz SVYHMUWLNIRMCN-AWEZNQCLSA-N 1 1 277.412 3.446 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2nc(CCC(C)C)no2)C1 ZINC000661379106 419256076 /nfs/dbraw/zinc/25/60/76/419256076.db2.gz SVYHMUWLNIRMCN-AWEZNQCLSA-N 1 1 277.412 3.446 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2cc3n(n2)CCCC3)C1 ZINC000661386311 419256700 /nfs/dbraw/zinc/25/67/00/419256700.db2.gz ROKSSDMBZBYYHM-AWEZNQCLSA-N 1 1 259.397 3.008 20 30 CGEDMO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nnsc1Cl ZINC000661118633 419232632 /nfs/dbraw/zinc/23/26/32/419232632.db2.gz IKGFDZMZWGVMJA-VHSXEESVSA-N 1 1 271.817 3.416 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2c2c(C)cccc2C)C1=O ZINC000661135431 419234594 /nfs/dbraw/zinc/23/45/94/419234594.db2.gz BVPSLJRZAHJQLH-SJORKVTESA-N 1 1 298.430 3.227 20 30 CGEDMO C=CCCn1cc(C[NH2+]Cc2ccc(C3CCC3)cc2)nn1 ZINC000657448389 419281138 /nfs/dbraw/zinc/28/11/38/419281138.db2.gz XBNHKBFQYBLHGK-UHFFFAOYSA-N 1 1 296.418 3.412 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000661665841 419283958 /nfs/dbraw/zinc/28/39/58/419283958.db2.gz OEMNABWSVGPIOV-DLBZAZTESA-N 1 1 259.393 3.051 20 30 CGEDMO C[C@@H]1COC2(CCCC2)C[N@@H+]1CC#Cc1ccccc1 ZINC000661982003 419319020 /nfs/dbraw/zinc/31/90/20/419319020.db2.gz VDSOMZBRNIRNQL-MRXNPFEDSA-N 1 1 269.388 3.072 20 30 CGEDMO C[C@@H]1COC2(CCCC2)C[N@H+]1CC#Cc1ccccc1 ZINC000661982003 419319022 /nfs/dbraw/zinc/31/90/22/419319022.db2.gz VDSOMZBRNIRNQL-MRXNPFEDSA-N 1 1 269.388 3.072 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000662081548 419333483 /nfs/dbraw/zinc/33/34/83/419333483.db2.gz USWJNHLUVWGVRB-TWMKSMIVSA-N 1 1 290.451 3.349 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1ccc(OC)cc1 ZINC000662079059 419333803 /nfs/dbraw/zinc/33/38/03/419333803.db2.gz FMEZUFKJZKNIHF-GASCZTMLSA-N 1 1 273.376 3.257 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C1CCC(C)CC1 ZINC000662078651 419333838 /nfs/dbraw/zinc/33/38/38/419333838.db2.gz IQLJBUMDERDBBQ-BWPPORJPSA-N 1 1 290.451 3.207 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000662089746 419334855 /nfs/dbraw/zinc/33/48/55/419334855.db2.gz DZZWHPKSASCCBP-MELADBBJSA-N 1 1 295.386 3.317 20 30 CGEDMO C=CCCn1cc(C[N@@H+](C)C[C@H]2CCc3ccccc32)nn1 ZINC000662196374 419357215 /nfs/dbraw/zinc/35/72/15/419357215.db2.gz KIYNZPQLVOIOCC-MRXNPFEDSA-N 1 1 296.418 3.016 20 30 CGEDMO C=CCCCCC[N@@H+]1CCn2c(nnc2C(C)(C)C)C1 ZINC000662238170 419369807 /nfs/dbraw/zinc/36/98/07/419369807.db2.gz NUJHHNRSTDMRTP-UHFFFAOYSA-N 1 1 276.428 3.138 20 30 CGEDMO C=CCCCCC[N@H+]1CCn2c(nnc2C(C)(C)C)C1 ZINC000662238170 419369809 /nfs/dbraw/zinc/36/98/09/419369809.db2.gz NUJHHNRSTDMRTP-UHFFFAOYSA-N 1 1 276.428 3.138 20 30 CGEDMO CC12CC(C1)C[N@H+]2CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000662385184 419424008 /nfs/dbraw/zinc/42/40/08/419424008.db2.gz MNGJWPGPPMDIPG-UHFFFAOYSA-N 1 1 295.304 3.421 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)[C@@H](C)c1ccncc1 ZINC000663693812 419683341 /nfs/dbraw/zinc/68/33/41/419683341.db2.gz XBTFHPANMXHUGP-AWEZNQCLSA-N 1 1 256.349 3.466 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(OC)c(Br)c1 ZINC000054183576 260216508 /nfs/dbraw/zinc/21/65/08/260216508.db2.gz GSRUJWGFQWLOMM-LLVKDONJSA-N 1 1 297.196 3.240 20 30 CGEDMO C[C@H](CC#N)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000068608552 260256857 /nfs/dbraw/zinc/25/68/57/260256857.db2.gz JKJMIIFFOPPGPE-OAHLLOKOSA-N 1 1 271.408 3.411 20 30 CGEDMO C[C@H](CC#N)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000068608552 260256859 /nfs/dbraw/zinc/25/68/59/260256859.db2.gz JKJMIIFFOPPGPE-OAHLLOKOSA-N 1 1 271.408 3.411 20 30 CGEDMO C[C@H](CC#N)[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000068610257 260257144 /nfs/dbraw/zinc/25/71/44/260257144.db2.gz QFEATAZCECRCKV-ZJUUUORDSA-N 1 1 254.280 3.241 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2C[C@@H](O)C(C)(C)C2)cc1Cl ZINC000448360695 261126082 /nfs/dbraw/zinc/12/60/82/261126082.db2.gz CRTOXFQEBYKQNG-OAHLLOKOSA-N 1 1 295.810 3.108 20 30 CGEDMO C=CC[N@@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000103474867 261284451 /nfs/dbraw/zinc/28/44/51/261284451.db2.gz JFEFRVQXBLVNFO-UHFFFAOYSA-N 1 1 255.365 3.127 20 30 CGEDMO N#CCC[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000309780820 262019841 /nfs/dbraw/zinc/01/98/41/262019841.db2.gz DYHXTAMOGYVFHD-UHFFFAOYSA-N 1 1 266.344 3.269 20 30 CGEDMO CCN(CC)C(=O)OC[C@H]1CCCC[N@H+]1CCCCC#N ZINC000497230544 262118103 /nfs/dbraw/zinc/11/81/03/262118103.db2.gz XPTLJQYQPSHOHK-OAHLLOKOSA-N 1 1 295.427 3.013 20 30 CGEDMO C=CC[N@@H+](C)CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000497238707 262119603 /nfs/dbraw/zinc/11/96/03/262119603.db2.gz BGBHWSRTVRPMCI-CQSZACIVSA-N 1 1 282.428 3.141 20 30 CGEDMO N#CCSCCC[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000192246064 262200369 /nfs/dbraw/zinc/20/03/69/262200369.db2.gz VMWVJPZRPCBDAT-UHFFFAOYSA-N 1 1 280.824 3.345 20 30 CGEDMO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@@H+]1CCCC#N ZINC000111278338 262260240 /nfs/dbraw/zinc/26/02/40/262260240.db2.gz PDDDYNFHICRERS-YCPHGPKFSA-N 1 1 258.365 3.141 20 30 CGEDMO C[C@@H]1CO[C@H](c2ccccc2)[C@H](C)[N@H+]1CCCC#N ZINC000111278338 262260241 /nfs/dbraw/zinc/26/02/41/262260241.db2.gz PDDDYNFHICRERS-YCPHGPKFSA-N 1 1 258.365 3.141 20 30 CGEDMO C=CC[NH+](CC=C)[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000355459107 262368258 /nfs/dbraw/zinc/36/82/58/262368258.db2.gz TTZYMICEFYHIQA-CYBMUJFWSA-N 1 1 292.810 3.019 20 30 CGEDMO CC1(C#N)CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000227353213 262388828 /nfs/dbraw/zinc/38/88/28/262388828.db2.gz WHQDRSUBSIKDDU-UHFFFAOYSA-N 1 1 250.292 3.090 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCc2ccc(O)cc2C1 ZINC000336828304 262398097 /nfs/dbraw/zinc/39/80/97/262398097.db2.gz ZZMDQUVKVPYHRS-UHFFFAOYSA-N 1 1 272.392 3.470 20 30 CGEDMO C=CCCC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000338672246 262554985 /nfs/dbraw/zinc/55/49/85/262554985.db2.gz QCWNWKVYFNXPAP-UHFFFAOYSA-N 1 1 274.408 3.109 20 30 CGEDMO N#CCOc1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000264175191 262883083 /nfs/dbraw/zinc/88/30/83/262883083.db2.gz WRFPVILUXPVTOB-CYBMUJFWSA-N 1 1 298.308 3.363 20 30 CGEDMO CCc1nc([C@@H](C)[NH2+]CCC(C)(C)C#N)cs1 ZINC000273244003 263014314 /nfs/dbraw/zinc/01/43/14/263014314.db2.gz AUVFWBKECOVBMA-SNVBAGLBSA-N 1 1 251.399 3.296 20 30 CGEDMO Cc1cc(C)c(NC(=O)C[N@@H+](C)[C@H](C)CCC#N)c(C)c1 ZINC000276267740 263035390 /nfs/dbraw/zinc/03/53/90/263035390.db2.gz CCWBCIXXYFVEMD-OAHLLOKOSA-N 1 1 287.407 3.174 20 30 CGEDMO Cc1cc(C)c(NC(=O)C[N@H+](C)[C@H](C)CCC#N)c(C)c1 ZINC000276267740 263035391 /nfs/dbraw/zinc/03/53/91/263035391.db2.gz CCWBCIXXYFVEMD-OAHLLOKOSA-N 1 1 287.407 3.174 20 30 CGEDMO N#CCCC[N@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000279248585 263054036 /nfs/dbraw/zinc/05/40/36/263054036.db2.gz LACXTKRFIWXXFT-UHFFFAOYSA-N 1 1 276.355 3.110 20 30 CGEDMO C=C[C@H](CC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000340117793 263073058 /nfs/dbraw/zinc/07/30/58/263073058.db2.gz GLXKVNRWTIOIOW-NXHRZFHOSA-N 1 1 298.430 3.089 20 30 CGEDMO C[N@@H+](CCCC1(C#N)CCOCC1)C1Cc2ccccc2C1 ZINC000282117016 263074445 /nfs/dbraw/zinc/07/44/45/263074445.db2.gz XKRABSSZCGCFJP-UHFFFAOYSA-N 1 1 298.430 3.186 20 30 CGEDMO N#CCCCC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285531084 263093994 /nfs/dbraw/zinc/09/39/94/263093994.db2.gz KWTAVLXRMRQZFG-LJQANCHMSA-N 1 1 297.446 3.278 20 30 CGEDMO N#CCCCC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285531084 263093995 /nfs/dbraw/zinc/09/39/95/263093995.db2.gz KWTAVLXRMRQZFG-LJQANCHMSA-N 1 1 297.446 3.278 20 30 CGEDMO N#CCCCC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285531084 263093996 /nfs/dbraw/zinc/09/39/96/263093996.db2.gz KWTAVLXRMRQZFG-LJQANCHMSA-N 1 1 297.446 3.278 20 30 CGEDMO N#CCCCC[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285531084 263093997 /nfs/dbraw/zinc/09/39/97/263093997.db2.gz KWTAVLXRMRQZFG-LJQANCHMSA-N 1 1 297.446 3.278 20 30 CGEDMO N#CCCCC[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285531084 263093998 /nfs/dbraw/zinc/09/39/98/263093998.db2.gz KWTAVLXRMRQZFG-LJQANCHMSA-N 1 1 297.446 3.278 20 30 CGEDMO COc1ccccc1O[C@H]1CCC[N@@H+](CCCCC#N)C1 ZINC000286331169 263098006 /nfs/dbraw/zinc/09/80/06/263098006.db2.gz FXZTZISQWBKWQL-HNNXBMFYSA-N 1 1 288.391 3.232 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](c3ccc(F)cc3)C2)C1 ZINC000292848574 263135838 /nfs/dbraw/zinc/13/58/38/263135838.db2.gz QFGYLBXZLWTVNT-XPKDYRNWSA-N 1 1 258.340 3.307 20 30 CGEDMO C[N@@H+](CCCOc1ccc(F)cc1)[C@H]1CC[C@H](C#N)C1 ZINC000293610635 263144071 /nfs/dbraw/zinc/14/40/71/263144071.db2.gz VOXJLJUNQJHFJX-ZFWWWQNUSA-N 1 1 276.355 3.219 20 30 CGEDMO C=CC(C)(C)CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000452774199 263146573 /nfs/dbraw/zinc/14/65/73/263146573.db2.gz KKFYVSQKQLPTAD-CQSZACIVSA-N 1 1 294.826 3.271 20 30 CGEDMO CCOc1cc(C[NH2+][C@H](CC)CC#N)cc(Cl)c1O ZINC000297557858 263206255 /nfs/dbraw/zinc/20/62/55/263206255.db2.gz GZLMAKCGPRUSIQ-LLVKDONJSA-N 1 1 282.771 3.226 20 30 CGEDMO C[C@H](CCC#N)[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000297805050 263209688 /nfs/dbraw/zinc/20/96/88/263209688.db2.gz ICJCVIYPISIKSX-OAHLLOKOSA-N 1 1 271.408 3.411 20 30 CGEDMO COCc1ccc([C@H]2CCC[N@H+]2[C@@H](C)CCC#N)o1 ZINC000299241718 263236343 /nfs/dbraw/zinc/23/63/43/263236343.db2.gz JEHMHHCRHZKSEW-GXTWGEPZSA-N 1 1 262.353 3.255 20 30 CGEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)NC2(C#N)CCC2)cc1 ZINC000299662567 263251336 /nfs/dbraw/zinc/25/13/36/263251336.db2.gz NEYFQOOFPFPWPP-UHFFFAOYSA-N 1 1 299.418 3.095 20 30 CGEDMO C=CC[C@H](CC)NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000341646609 263345656 /nfs/dbraw/zinc/34/56/56/263345656.db2.gz HSLPJRRPFDFWGF-LSDHHAIUSA-N 1 1 294.826 3.414 20 30 CGEDMO CC[N@@H+]1C[C@H](Nc2cccc(OCCCC#N)c2)[C@@H](C)C1 ZINC000342912106 263545934 /nfs/dbraw/zinc/54/59/34/263545934.db2.gz PKTHLJNPSKEFCR-YOEHRIQHSA-N 1 1 287.407 3.121 20 30 CGEDMO COc1ccc([C@H]2CCC[N@@H+]2CC2(C#N)CC2)cc1 ZINC000343253012 264122606 /nfs/dbraw/zinc/12/26/06/264122606.db2.gz SIZGILXPYKNFAQ-OAHLLOKOSA-N 1 1 256.349 3.136 20 30 CGEDMO COc1ccc([C@H]2CCC[N@H+]2CC2(C#N)CC2)cc1 ZINC000343253012 264122607 /nfs/dbraw/zinc/12/26/07/264122607.db2.gz SIZGILXPYKNFAQ-OAHLLOKOSA-N 1 1 256.349 3.136 20 30 CGEDMO CCCO[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000160108237 264238067 /nfs/dbraw/zinc/23/80/67/264238067.db2.gz MMEKRFIGISSQTL-SFHVURJKSA-N 1 1 289.394 3.458 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)Nc1c(C)cccc1CC ZINC000076733913 264343003 /nfs/dbraw/zinc/34/30/03/264343003.db2.gz YOGXHPMRGGTZJO-UHFFFAOYSA-N 1 1 274.408 3.394 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cccc(C(=O)OC)n1 ZINC000518957175 265247388 /nfs/dbraw/zinc/24/73/88/265247388.db2.gz IYSXYXWISOWEPF-UHFFFAOYSA-N 1 1 276.380 3.046 20 30 CGEDMO C=CCCCC[N@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000514659211 266030094 /nfs/dbraw/zinc/03/00/94/266030094.db2.gz VZTCQIXAARWGTJ-GOSISDBHSA-N 1 1 285.387 3.453 20 30 CGEDMO N#CC1(C[N@@H+]2CCC[C@@H]2/C=C\c2ccccc2)CC1 ZINC000356376939 266105269 /nfs/dbraw/zinc/10/52/69/266105269.db2.gz WMADXDKMGZIIKN-HLRDLLSLSA-N 1 1 252.361 3.468 20 30 CGEDMO N#CC1(C[N@H+]2CCC[C@@H]2/C=C\c2ccccc2)CC1 ZINC000356376939 266105271 /nfs/dbraw/zinc/10/52/71/266105271.db2.gz WMADXDKMGZIIKN-HLRDLLSLSA-N 1 1 252.361 3.468 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC[C@H]2CCCO2)cc1)C1CC1 ZINC000357552333 266321891 /nfs/dbraw/zinc/32/18/91/266321891.db2.gz MCWXDCUYSONRPK-GOSISDBHSA-N 1 1 287.403 3.395 20 30 CGEDMO CC[C@H]1C[C@@H](C)C[N@H+]1CCCOc1cccc(C#N)c1 ZINC000399749989 266427095 /nfs/dbraw/zinc/42/70/95/266427095.db2.gz LJRWXQZGAKUCHN-ZBFHGGJFSA-N 1 1 272.392 3.448 20 30 CGEDMO C[N@@H+](CCC#N)CCCc1cc(-c2ccccc2)no1 ZINC000368851295 267209370 /nfs/dbraw/zinc/20/93/70/267209370.db2.gz PMDACEICICBZQI-UHFFFAOYSA-N 1 1 269.348 3.120 20 30 CGEDMO C[N@H+](CCC#N)CCCc1cc(-c2ccccc2)no1 ZINC000368851295 267209372 /nfs/dbraw/zinc/20/93/72/267209372.db2.gz PMDACEICICBZQI-UHFFFAOYSA-N 1 1 269.348 3.120 20 30 CGEDMO COCCCC[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000369802548 267267125 /nfs/dbraw/zinc/26/71/25/267267125.db2.gz CYJRGKGHBNYCIP-IRXDYDNUSA-N 1 1 272.392 3.185 20 30 CGEDMO N#CCCCC[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000369803571 267267901 /nfs/dbraw/zinc/26/79/01/267267901.db2.gz MWQLUAWEYWTUMO-IAGOWNOFSA-N 1 1 267.376 3.452 20 30 CGEDMO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@@H+]1CCC#N ZINC000370541839 267328048 /nfs/dbraw/zinc/32/80/48/267328048.db2.gz KSIAYVQZTDWWRE-HIFRSBDPSA-N 1 1 258.365 3.382 20 30 CGEDMO COc1ccccc1[C@@H]1CC[C@@H](C)C[N@H+]1CCC#N ZINC000370541839 267328052 /nfs/dbraw/zinc/32/80/52/267328052.db2.gz KSIAYVQZTDWWRE-HIFRSBDPSA-N 1 1 258.365 3.382 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc(F)c(Br)c2)CCC1 ZINC000418144941 267366664 /nfs/dbraw/zinc/36/66/64/267366664.db2.gz VYDWAGDSOLZYJT-UHFFFAOYSA-N 1 1 297.171 3.372 20 30 CGEDMO C[C@H]1CC(F)(F)CC[N@H+]1CCOc1cccc(C#N)c1 ZINC000528766487 270172169 /nfs/dbraw/zinc/17/21/69/270172169.db2.gz LCMGFOJLVXLWPH-LBPRGKRZSA-N 1 1 280.318 3.057 20 30 CGEDMO Cc1cc(NC[C@H]2CC[N@H+]2C2CCCCC2)cc(C#N)n1 ZINC000528118261 268011900 /nfs/dbraw/zinc/01/19/00/268011900.db2.gz PLIGLUQEWVDKOW-QGZVFWFLSA-N 1 1 284.407 3.081 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000377157896 268051308 /nfs/dbraw/zinc/05/13/08/268051308.db2.gz NEQHMTHXAZGDRO-FGTMMUONSA-N 1 1 271.404 3.457 20 30 CGEDMO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccn2)cc1C#N ZINC000532745901 270219031 /nfs/dbraw/zinc/21/90/31/270219031.db2.gz AVNWFOCXKXZKRW-QGZVFWFLSA-N 1 1 293.370 3.299 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@@H]2c2ccccn2)cc1C#N ZINC000532745901 270219032 /nfs/dbraw/zinc/21/90/32/270219032.db2.gz AVNWFOCXKXZKRW-QGZVFWFLSA-N 1 1 293.370 3.299 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000429706710 269558442 /nfs/dbraw/zinc/55/84/42/269558442.db2.gz HBOUQOAHIDMYNX-OAHLLOKOSA-N 1 1 271.408 3.059 20 30 CGEDMO C=CC[N@@H+](C)CCN(CC)[C@H](C)c1ccc(C#N)cc1 ZINC000429706710 269558443 /nfs/dbraw/zinc/55/84/43/269558443.db2.gz HBOUQOAHIDMYNX-OAHLLOKOSA-N 1 1 271.408 3.059 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)[C@H](C)c1ccc(C#N)cc1 ZINC000429706710 269558444 /nfs/dbraw/zinc/55/84/44/269558444.db2.gz HBOUQOAHIDMYNX-OAHLLOKOSA-N 1 1 271.408 3.059 20 30 CGEDMO CC(C)[N@@H+](CCCCC#N)Cc1ccc(C#N)cc1 ZINC000102398989 269617621 /nfs/dbraw/zinc/61/76/21/269617621.db2.gz PNGJFLWVCDTXFM-UHFFFAOYSA-N 1 1 255.365 3.463 20 30 CGEDMO C[C@@H](CN[C@@H]1CCc2ccc(C#N)cc21)[NH+]1CCC(C)CC1 ZINC000353385945 274225245 /nfs/dbraw/zinc/22/52/45/274225245.db2.gz MZCAOOOPQNLDOJ-HNAYVOBHSA-N 1 1 297.446 3.256 20 30 CGEDMO CCC[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])CC(C)C ZINC000459332795 276001064 /nfs/dbraw/zinc/00/10/64/276001064.db2.gz XFNYGTGSBVOCFY-UHFFFAOYSA-N 1 1 275.352 3.334 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCOC1 ZINC000342670352 276001697 /nfs/dbraw/zinc/00/16/97/276001697.db2.gz FZEIFDRBFFSHBE-QGZVFWFLSA-N 1 1 272.392 3.197 20 30 CGEDMO CCC[N@H+]1CCC[C@H]1CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000353971652 276011927 /nfs/dbraw/zinc/01/19/27/276011927.db2.gz LJAADNIIYIZJCU-BBRMVZONSA-N 1 1 289.398 3.222 20 30 CGEDMO CCCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000353971652 276011929 /nfs/dbraw/zinc/01/19/29/276011929.db2.gz LJAADNIIYIZJCU-BBRMVZONSA-N 1 1 289.398 3.222 20 30 CGEDMO C[N@H+]1CCC[C@H]2CN(c3cccc(Cl)c3C#N)CC[C@H]21 ZINC000227335545 277084765 /nfs/dbraw/zinc/08/47/65/277084765.db2.gz SSHZLSMUFMPORN-SWLSCSKDSA-N 1 1 289.810 3.132 20 30 CGEDMO CN1CC[N@@H+](Cc2cc(C#N)cs2)Cc2ccccc21 ZINC000353284696 277108996 /nfs/dbraw/zinc/10/89/96/277108996.db2.gz WILVVCHTOLJYFH-UHFFFAOYSA-N 1 1 283.400 3.072 20 30 CGEDMO C[C@@H](CCNc1cccc(C#N)n1)[N@@H+](C)Cc1ccccc1 ZINC000301478050 278233684 /nfs/dbraw/zinc/23/36/84/278233684.db2.gz PVKFIIHUAQCLLG-HNNXBMFYSA-N 1 1 294.402 3.276 20 30 CGEDMO C[C@H](NCC1(C[NH+](C)C)CCCC1)c1ccc(C#N)cc1 ZINC000184471633 278255659 /nfs/dbraw/zinc/25/56/59/278255659.db2.gz LPAGJOPGJSECCT-HNNXBMFYSA-N 1 1 285.435 3.331 20 30 CGEDMO C[C@H]([NH2+]CC1(CN(C)C)CCCC1)c1ccc(C#N)cc1 ZINC000184471633 278255661 /nfs/dbraw/zinc/25/56/61/278255661.db2.gz LPAGJOPGJSECCT-HNNXBMFYSA-N 1 1 285.435 3.331 20 30 CGEDMO C[C@H](c1ccc(C#N)c(F)c1)[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000334531894 278305834 /nfs/dbraw/zinc/30/58/34/278305834.db2.gz XZELXVRPFOWPDA-CXAGYDPISA-N 1 1 288.366 3.261 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)CC1Cc2ccccc2C1 ZINC000555095649 289327665 /nfs/dbraw/zinc/32/76/65/289327665.db2.gz WUIZIFFNZYTFAA-UHFFFAOYSA-N 1 1 276.383 3.405 20 30 CGEDMO C[C@H](c1ccc(C#N)c(F)c1)[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000334531895 290217844 /nfs/dbraw/zinc/21/78/44/290217844.db2.gz XZELXVRPFOWPDA-DYVFJYSZSA-N 1 1 288.366 3.261 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000334218782 290220640 /nfs/dbraw/zinc/22/06/40/290220640.db2.gz UAINVIOPNVLCFG-RDTXWAMCSA-N 1 1 284.403 3.368 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000442676804 290245662 /nfs/dbraw/zinc/24/56/62/290245662.db2.gz BLFQTALCUHPJQC-FHLIZLRMSA-N 1 1 284.403 3.368 20 30 CGEDMO C=C[C@H](CC(=O)Nc1cc(C)[nH+]cc1C)c1ccccc1 ZINC000534299491 328044050 /nfs/dbraw/zinc/04/40/50/328044050.db2.gz DYSVEFWJMHBBIX-OAHLLOKOSA-N 1 1 280.371 3.419 20 30 CGEDMO C=C(C)C[N@@H+](CC)[C@H](C)c1nc(C(C)(C)C)no1 ZINC000152529378 328074837 /nfs/dbraw/zinc/07/48/37/328074837.db2.gz DOZPRRGKJSSGFZ-LLVKDONJSA-N 1 1 251.374 3.326 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)c1nc(C(C)(C)C)no1 ZINC000152529378 328074839 /nfs/dbraw/zinc/07/48/39/328074839.db2.gz DOZPRRGKJSSGFZ-LLVKDONJSA-N 1 1 251.374 3.326 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412056932 328101666 /nfs/dbraw/zinc/10/16/66/328101666.db2.gz PUYZEZXUMPOXLI-HZPDHXFCSA-N 1 1 278.440 3.208 20 30 CGEDMO CCCC[N@@H+](CCO)Cc1ccccc1C(C)(C)C#N ZINC000268988262 328188315 /nfs/dbraw/zinc/18/83/15/328188315.db2.gz RAVOOILUBDCRIP-UHFFFAOYSA-N 1 1 274.408 3.082 20 30 CGEDMO C[C@H](CCC#N)[N@H+](C)Cc1nc2c(s1)CCCC2 ZINC000276361078 328218162 /nfs/dbraw/zinc/21/81/62/328218162.db2.gz YPAMPDMLBKHKSG-LLVKDONJSA-N 1 1 263.410 3.146 20 30 CGEDMO C[C@H](CCC#N)[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000276361078 328218164 /nfs/dbraw/zinc/21/81/64/328218164.db2.gz YPAMPDMLBKHKSG-LLVKDONJSA-N 1 1 263.410 3.146 20 30 CGEDMO COc1cc(C)c(C[N@@H+](C)[C@H]2CC[C@H](C#N)C2)cc1OC ZINC000278595937 328227954 /nfs/dbraw/zinc/22/79/54/328227954.db2.gz LOQVKAGGCRXKAS-ZFWWWQNUSA-N 1 1 288.391 3.136 20 30 CGEDMO CC(C)COC[C@@H]([NH2+][C@H](C)CCC#N)c1ccco1 ZINC000278901221 328232005 /nfs/dbraw/zinc/23/20/05/328232005.db2.gz ISPWQLXICZODIR-ZIAGYGMSSA-N 1 1 264.369 3.275 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000181261268 329228484 /nfs/dbraw/zinc/22/84/84/329228484.db2.gz NQXLYHMUXXXOAE-AWEZNQCLSA-N 1 1 260.381 3.138 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000181261268 329228486 /nfs/dbraw/zinc/22/84/86/329228486.db2.gz NQXLYHMUXXXOAE-AWEZNQCLSA-N 1 1 260.381 3.138 20 30 CGEDMO C[N@H+](CCOCCC#N)Cc1cccc(Cl)c1Cl ZINC000292943945 328274119 /nfs/dbraw/zinc/27/41/19/328274119.db2.gz BCJXCNSCKJSISA-UHFFFAOYSA-N 1 1 287.190 3.355 20 30 CGEDMO C[N@@H+](CCOCCC#N)Cc1cccc(Cl)c1Cl ZINC000292943945 328274120 /nfs/dbraw/zinc/27/41/20/328274120.db2.gz BCJXCNSCKJSISA-UHFFFAOYSA-N 1 1 287.190 3.355 20 30 CGEDMO C[N@@H+](CC1(c2ccccc2)CC1)[C@H]1CC[C@H](C#N)C1 ZINC000294755032 328282938 /nfs/dbraw/zinc/28/29/38/328282938.db2.gz XVQQVKYCBRYCNG-HOCLYGCPSA-N 1 1 254.377 3.342 20 30 CGEDMO CC1(C)C[C@H](O)CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000295203626 328285398 /nfs/dbraw/zinc/28/53/98/328285398.db2.gz CKDIGPOAVNDGKD-MRXNPFEDSA-N 1 1 291.822 3.174 20 30 CGEDMO C[C@@H]1Cc2[nH+]cn(Cc3ccc(C#N)s3)c2C[C@@H]1C ZINC000563633114 322005110 /nfs/dbraw/zinc/00/51/10/322005110.db2.gz ZHWQLOWZMHWAIT-MNOVXSKESA-N 1 1 271.389 3.235 20 30 CGEDMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000564211508 322023225 /nfs/dbraw/zinc/02/32/25/322023225.db2.gz KWKBRNGTWBKWOJ-XJKSGUPXSA-N 1 1 297.406 3.002 20 30 CGEDMO CC1(C)C[N@H+](Cc2ccc(C#N)cn2)CC[C@@H]1C(F)(F)F ZINC000566569313 322130086 /nfs/dbraw/zinc/13/00/86/322130086.db2.gz OZRFMNBGOLEQGV-ZDUSSCGKSA-N 1 1 297.324 3.364 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cn2)CC[C@@H]1C(F)(F)F ZINC000566569313 322130087 /nfs/dbraw/zinc/13/00/87/322130087.db2.gz OZRFMNBGOLEQGV-ZDUSSCGKSA-N 1 1 297.324 3.364 20 30 CGEDMO CCC1(CC)C[N@@H+](Cc2ccc(C#N)cn2)CCS1 ZINC000569351552 322244280 /nfs/dbraw/zinc/24/42/80/322244280.db2.gz HFNQUCHXFJVXJK-UHFFFAOYSA-N 1 1 275.421 3.061 20 30 CGEDMO Cc1cccnc1[C@@H]([NH2+]Cc1ccc(C#N)cn1)C(C)C ZINC000570231984 322268505 /nfs/dbraw/zinc/26/85/05/322268505.db2.gz HKZPNZDSRFCQIC-INIZCTEOSA-N 1 1 280.375 3.144 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000255953815 327037006 /nfs/dbraw/zinc/03/70/06/327037006.db2.gz SLTKLMFLMUAGLC-CAOSSQGBSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCOCC[N@@H+]1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000559106943 327141833 /nfs/dbraw/zinc/14/18/33/327141833.db2.gz PEOOPQOSHFTSOY-CJNGLKHVSA-N 1 1 263.356 3.411 20 30 CGEDMO CC(C)[C@@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000410410304 327192271 /nfs/dbraw/zinc/19/22/71/327192271.db2.gz VFWASFFIYWZMRJ-OAHLLOKOSA-N 1 1 264.413 3.065 20 30 CGEDMO C=CCOc1ccccc1CNc1[nH+]c2ccccc2n1C ZINC000560255538 327293903 /nfs/dbraw/zinc/29/39/03/327293903.db2.gz XEIYEMUQVVQRSX-UHFFFAOYSA-N 1 1 293.370 3.172 20 30 CGEDMO Cc1c(C[NH2+]C[C@@H](C#N)CCC#N)oc2ccc(F)cc12 ZINC000560856744 327348224 /nfs/dbraw/zinc/34/82/24/327348224.db2.gz GVIQRDDRKVNCLZ-GFCCVEGCSA-N 1 1 285.322 3.413 20 30 CGEDMO N#CC1(C[NH2+]Cc2cc(Cl)cc3cccnc32)CC1 ZINC000569998043 327560846 /nfs/dbraw/zinc/56/08/46/327560846.db2.gz UAKXRFIHXMERPY-UHFFFAOYSA-N 1 1 271.751 3.282 20 30 CGEDMO C=CCC[N@H+]1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000582477424 329094917 /nfs/dbraw/zinc/09/49/17/329094917.db2.gz ZWEYMRDASDISJE-AWEZNQCLSA-N 1 1 255.283 3.411 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000582477424 329094918 /nfs/dbraw/zinc/09/49/18/329094918.db2.gz ZWEYMRDASDISJE-AWEZNQCLSA-N 1 1 255.283 3.411 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])CC(C)(C)C ZINC000582609093 329116038 /nfs/dbraw/zinc/11/60/38/329116038.db2.gz NNLAFZGJOKRMKX-UHFFFAOYSA-N 1 1 275.352 3.334 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)C[C@@H]1CCCCO1 ZINC000173550153 329149060 /nfs/dbraw/zinc/14/90/60/329149060.db2.gz YGGPRLDKPLVYJH-HNNXBMFYSA-N 1 1 252.402 3.207 20 30 CGEDMO COCC(C)(C)[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000429249420 329165836 /nfs/dbraw/zinc/16/58/36/329165836.db2.gz RKLYSMSJVCZXLB-UHFFFAOYSA-N 1 1 265.784 3.048 20 30 CGEDMO C=CCCC[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000177137974 329180965 /nfs/dbraw/zinc/18/09/65/329180965.db2.gz KPYKSYUQOFRHKU-KRWDZBQOSA-N 1 1 259.393 3.286 20 30 CGEDMO C=CC[NH+]1CCC(N[C@@H](C)c2ccccc2F)CC1 ZINC000177904276 329190161 /nfs/dbraw/zinc/19/01/61/329190161.db2.gz KXLQTDDCLWOSTL-ZDUSSCGKSA-N 1 1 262.372 3.127 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000178067519 329192367 /nfs/dbraw/zinc/19/23/67/329192367.db2.gz ONVRORRVHAYSCS-IAGOWNOFSA-N 1 1 277.383 3.160 20 30 CGEDMO CCC(CC)C[N@H+](CCC#N)Cc1cnn2ccccc12 ZINC000179456126 329208388 /nfs/dbraw/zinc/20/83/88/329208388.db2.gz WKOILFVIAVQMBR-UHFFFAOYSA-N 1 1 284.407 3.486 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)Cc1cnn2ccccc12 ZINC000179456126 329208389 /nfs/dbraw/zinc/20/83/89/329208389.db2.gz WKOILFVIAVQMBR-UHFFFAOYSA-N 1 1 284.407 3.486 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cn(-c2ccccc2)nc1C ZINC000181045062 329225513 /nfs/dbraw/zinc/22/55/13/329225513.db2.gz YNKGQYWPVJZDOM-UHFFFAOYSA-N 1 1 255.365 3.189 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000181260898 329228359 /nfs/dbraw/zinc/22/83/59/329228359.db2.gz JPNKJXRDIQDBBS-LLVKDONJSA-N 1 1 298.333 3.123 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OCC ZINC000181267450 329228824 /nfs/dbraw/zinc/22/88/24/329228824.db2.gz XQUGFMBKGHGGQQ-UHFFFAOYSA-N 1 1 264.325 3.001 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OCC ZINC000181267450 329228825 /nfs/dbraw/zinc/22/88/25/329228825.db2.gz XQUGFMBKGHGGQQ-UHFFFAOYSA-N 1 1 264.325 3.001 20 30 CGEDMO C=C(C)C[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000181308819 329230812 /nfs/dbraw/zinc/23/08/12/329230812.db2.gz ZODFXAIJYZIOBI-UHFFFAOYSA-N 1 1 291.782 3.048 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000184953775 329266019 /nfs/dbraw/zinc/26/60/19/329266019.db2.gz JVKPQEXOQNLGCA-MRXNPFEDSA-N 1 1 288.435 3.227 20 30 CGEDMO N#CCCC[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000185318571 329273033 /nfs/dbraw/zinc/27/30/33/329273033.db2.gz CGPWHZCFOIEHDY-NSHDSACASA-N 1 1 250.292 3.058 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000185912810 329332540 /nfs/dbraw/zinc/33/25/40/329332540.db2.gz OCLDIUQIPGUJTA-UXLLHSPISA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CCC1 ZINC000188415705 329368459 /nfs/dbraw/zinc/36/84/59/329368459.db2.gz OCUNAPLQYXXMQL-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)CCC1 ZINC000189625407 329384519 /nfs/dbraw/zinc/38/45/19/329384519.db2.gz CUJMXDOMOFBNNS-INIZCTEOSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@@H+](C)Cc1cc(Br)ccc1F ZINC000063742086 329399431 /nfs/dbraw/zinc/39/94/31/329399431.db2.gz FFXFBUMXMZUDIZ-UHFFFAOYSA-N 1 1 258.134 3.206 20 30 CGEDMO C=CC[N@H+](C)Cc1cc(Br)ccc1F ZINC000063742086 329399432 /nfs/dbraw/zinc/39/94/32/329399432.db2.gz FFXFBUMXMZUDIZ-UHFFFAOYSA-N 1 1 258.134 3.206 20 30 CGEDMO CC#CCC[N@@H+](C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000274202172 330104499 /nfs/dbraw/zinc/10/44/99/330104499.db2.gz UJAQYCUCJCXMFH-SJORKVTESA-N 1 1 275.367 3.391 20 30 CGEDMO C=CCC[C@@H](C)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423524682 330209913 /nfs/dbraw/zinc/20/99/13/330209913.db2.gz JVAJQDFVEAIAPA-XXXXFFMBSA-N 1 1 262.441 3.084 20 30 CGEDMO C=C(CC)C[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000536900776 330363442 /nfs/dbraw/zinc/36/34/42/330363442.db2.gz LBPOJUOUXKYWTR-QGZVFWFLSA-N 1 1 259.393 3.325 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000121041084 330395406 /nfs/dbraw/zinc/39/54/06/330395406.db2.gz BJLGTRKBBIZFHB-HOTGVXAUSA-N 1 1 288.435 3.459 20 30 CGEDMO N#C[C@@H]1CC[C@H]([NH2+][C@@H](CO)c2c(Cl)cccc2Cl)C1 ZINC000442881193 330790218 /nfs/dbraw/zinc/79/02/18/330790218.db2.gz ZBLQBHVAAWURCM-NRUUGDAUSA-N 1 1 299.201 3.309 20 30 CGEDMO C=CCC[C@@H]([NH2+]Cc1cn(CC2CC2)nn1)c1ccccc1 ZINC000450681850 330993261 /nfs/dbraw/zinc/99/32/61/330993261.db2.gz OJNARHDYJSAHBQ-GOSISDBHSA-N 1 1 296.418 3.485 20 30 CGEDMO C[C@@H]1CN(C2CC2)CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000451091008 331015346 /nfs/dbraw/zinc/01/53/46/331015346.db2.gz IEFHDKRDQAXBOZ-HNNXBMFYSA-N 1 1 277.456 3.123 20 30 CGEDMO C[C@H]1CN(CCCCC(C)(C)C#N)CC[N@@H+](C2CC2)C1 ZINC000451091008 331015347 /nfs/dbraw/zinc/01/53/47/331015347.db2.gz IEFHDKRDQAXBOZ-HNNXBMFYSA-N 1 1 277.456 3.123 20 30 CGEDMO C[C@H]1CN(CCCCC(C)(C)C#N)CC[N@H+](C2CC2)C1 ZINC000451091008 331015348 /nfs/dbraw/zinc/01/53/48/331015348.db2.gz IEFHDKRDQAXBOZ-HNNXBMFYSA-N 1 1 277.456 3.123 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000451218372 331020980 /nfs/dbraw/zinc/02/09/80/331020980.db2.gz BJFDAAKVUNTSEM-HRCADAONSA-N 1 1 286.419 3.012 20 30 CGEDMO CC[C@H]1[C@H](CO)CC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000451256935 331022197 /nfs/dbraw/zinc/02/21/97/331022197.db2.gz PQECYAFELBNDIY-RDJZCZTQSA-N 1 1 286.419 3.081 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451704423 331039650 /nfs/dbraw/zinc/03/96/50/331039650.db2.gz XGRGMARVSNSBSO-FZKCQIBNSA-N 1 1 251.414 3.214 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000451974136 331049094 /nfs/dbraw/zinc/04/90/94/331049094.db2.gz RTZUORROWKLBGX-CJNGLKHVSA-N 1 1 281.346 3.429 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](N(C)CC#Cc2ccccc2Cl)C1 ZINC000452125582 331055234 /nfs/dbraw/zinc/05/52/34/331055234.db2.gz XVMGHJKOTDVZAW-INIZCTEOSA-N 1 1 290.838 3.106 20 30 CGEDMO C=CCC[C@@H](CC)[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000453285717 331111179 /nfs/dbraw/zinc/11/11/79/331111179.db2.gz QHLDYEXECIAUCQ-HUUCEWRRSA-N 1 1 280.456 3.345 20 30 CGEDMO C=CCC1(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)CCCC1 ZINC000456510178 331194700 /nfs/dbraw/zinc/19/47/00/331194700.db2.gz RPSLGEGZWAOTPK-AWEZNQCLSA-N 1 1 287.407 3.013 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000459558807 331287779 /nfs/dbraw/zinc/28/77/79/331287779.db2.gz JSTBFFCXACSDIC-HNNXBMFYSA-N 1 1 253.386 3.006 20 30 CGEDMO CC#CCC[N@H+]1CCSC[C@H]1c1ccc(C)cc1 ZINC000462310811 331318962 /nfs/dbraw/zinc/31/89/62/331318962.db2.gz HKOJGYYPTOVNCG-INIZCTEOSA-N 1 1 259.418 3.498 20 30 CGEDMO C=CC[C@H](C)[C@@H](C)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000462876900 331333635 /nfs/dbraw/zinc/33/36/35/331333635.db2.gz YDZWDJNEKSURRJ-HDMKZQKVSA-N 1 1 288.435 3.266 20 30 CGEDMO CC[N@@H+](CC#Cc1ccc(Cl)cc1)C[C@H](C)OC ZINC000463411630 331347150 /nfs/dbraw/zinc/34/71/50/331347150.db2.gz FFVDIMISYQTKER-ZDUSSCGKSA-N 1 1 265.784 3.048 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NC[C@H]1CCCC[N@@H+]1CCCC ZINC000464448145 331360859 /nfs/dbraw/zinc/36/08/59/331360859.db2.gz NMUJJGYATKYYQX-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)NCCC1=CCCCC1 ZINC000489396500 332049817 /nfs/dbraw/zinc/04/98/17/332049817.db2.gz GMWFGRNFVIKRAL-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)N(Cc1ccccc1)C1CC1 ZINC000489404904 332050474 /nfs/dbraw/zinc/05/04/74/332050474.db2.gz PWZWLVNGNJSKMC-QGZVFWFLSA-N 1 1 298.430 3.218 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000489446708 332052951 /nfs/dbraw/zinc/05/29/51/332052951.db2.gz IQKAYRLNLVAEIL-SJLPKXTDSA-N 1 1 298.430 3.221 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000489446708 332052952 /nfs/dbraw/zinc/05/29/52/332052952.db2.gz IQKAYRLNLVAEIL-SJLPKXTDSA-N 1 1 298.430 3.221 20 30 CGEDMO C#CC[N@H+](Cc1cnn(CC(F)(F)F)c1)C1CCCCC1 ZINC000490899841 332127477 /nfs/dbraw/zinc/12/74/77/332127477.db2.gz PZNJQCGLDCLRHE-UHFFFAOYSA-N 1 1 299.340 3.213 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)[C@H](C)c2cccc(OC)c2)n1 ZINC000491325923 332190228 /nfs/dbraw/zinc/19/02/28/332190228.db2.gz IHCVWOYWAKMUPN-OAHLLOKOSA-N 1 1 297.402 3.108 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)[C@H](C)c2cccc(OC)c2)n1 ZINC000491325923 332190229 /nfs/dbraw/zinc/19/02/29/332190229.db2.gz IHCVWOYWAKMUPN-OAHLLOKOSA-N 1 1 297.402 3.108 20 30 CGEDMO C#C[C@H](CC)NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000491461282 332215641 /nfs/dbraw/zinc/21/56/41/332215641.db2.gz CNBFFWBYPQBYET-INMHGKMJSA-N 1 1 262.441 3.031 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1cnc(-c2ccsc2)s1 ZINC000491517556 332228241 /nfs/dbraw/zinc/22/82/41/332228241.db2.gz ZDFJMTTZZIAJAR-JTQLQIEISA-N 1 1 262.403 3.325 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1cnc(-c2ccsc2)s1 ZINC000491517556 332228243 /nfs/dbraw/zinc/22/82/43/332228243.db2.gz ZDFJMTTZZIAJAR-JTQLQIEISA-N 1 1 262.403 3.325 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)CCC(=O)Nc1ccccc1Cl ZINC000491525700 332230339 /nfs/dbraw/zinc/23/03/39/332230339.db2.gz UPNLWCMHAIWLFE-UHFFFAOYSA-N 1 1 278.783 3.012 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cc(OC)cc2c1O[C@H](C)C2 ZINC000505890615 332756829 /nfs/dbraw/zinc/75/68/29/332756829.db2.gz DIHCKLQYJHEEDA-CYBMUJFWSA-N 1 1 273.376 3.193 20 30 CGEDMO C=C(C)CC[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309789942 333049452 /nfs/dbraw/zinc/04/94/52/333049452.db2.gz OIUZWQSGKNUJRC-SJLPKXTDSA-N 1 1 272.436 3.453 20 30 CGEDMO Cc1ccc(C)c(OCCC[N@@H+](C)C[C@@H](C)C#N)c1 ZINC000513956033 333054466 /nfs/dbraw/zinc/05/44/66/333054466.db2.gz RAUNGQLAAFBNFS-AWEZNQCLSA-N 1 1 260.381 3.164 20 30 CGEDMO Cc1ccc(C)c(OCCC[N@H+](C)C[C@@H](C)C#N)c1 ZINC000513956033 333054467 /nfs/dbraw/zinc/05/44/67/333054467.db2.gz RAUNGQLAAFBNFS-AWEZNQCLSA-N 1 1 260.381 3.164 20 30 CGEDMO CCC(CC)[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC(C)C ZINC000177864829 333064572 /nfs/dbraw/zinc/06/45/72/333064572.db2.gz FEBNIMDPRUODHP-QGZVFWFLSA-N 1 1 295.471 3.187 20 30 CGEDMO C=CCN(CC=C)C(=O)NC[C@H]1CCCC[N@@H+]1CCCC ZINC000517504092 333100818 /nfs/dbraw/zinc/10/08/18/333100818.db2.gz LKSZYVJWZVOLIT-MRXNPFEDSA-N 1 1 293.455 3.025 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)CCOCC(F)(F)C(F)F ZINC000189371725 333191125 /nfs/dbraw/zinc/19/11/25/333191125.db2.gz FQXUNWRIBJLPQG-UHFFFAOYSA-N 1 1 298.324 3.165 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)CCOCC(F)(F)C(F)F ZINC000189371725 333191127 /nfs/dbraw/zinc/19/11/27/333191127.db2.gz FQXUNWRIBJLPQG-UHFFFAOYSA-N 1 1 298.324 3.165 20 30 CGEDMO C=CCCC[NH2+][C@@H](C)c1noc(Cc2ccccc2)n1 ZINC000543540984 333879792 /nfs/dbraw/zinc/87/97/92/333879792.db2.gz AQLCMDWCSMZOPF-ZDUSSCGKSA-N 1 1 271.364 3.277 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000134059433 334079120 /nfs/dbraw/zinc/07/91/20/334079120.db2.gz HXZWDUWSCIDVAE-KBPBESRZSA-N 1 1 282.428 3.188 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000134059236 334079276 /nfs/dbraw/zinc/07/92/76/334079276.db2.gz HXZWDUWSCIDVAE-ZIAGYGMSSA-N 1 1 282.428 3.188 20 30 CGEDMO CC(C)C[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)CC(C)(C)C ZINC000134463990 334091338 /nfs/dbraw/zinc/09/13/38/334091338.db2.gz IAJRFYHDLLBSQD-QGZVFWFLSA-N 1 1 295.471 3.045 20 30 CGEDMO C[C@@H](C#N)C[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000137123012 334170442 /nfs/dbraw/zinc/17/04/42/334170442.db2.gz ZAAVHLNJHLICPC-QMMMGPOBSA-N 1 1 287.588 3.352 20 30 CGEDMO C=CCOCCC[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000548752219 334169650 /nfs/dbraw/zinc/16/96/50/334169650.db2.gz SWRDNLQFRVICOD-OAHLLOKOSA-N 1 1 297.439 3.023 20 30 CGEDMO CCS[C@H]1CC[C@H]([N@@H+](C)CCCSCC#N)C1 ZINC000080633263 334172848 /nfs/dbraw/zinc/17/28/48/334172848.db2.gz VCPYBLQYUBPUNK-STQMWFEESA-N 1 1 272.483 3.239 20 30 CGEDMO C=CCOCC[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000549367125 334191438 /nfs/dbraw/zinc/19/14/38/334191438.db2.gz YYQLTYZFZVOVCF-QGZVFWFLSA-N 1 1 259.393 3.286 20 30 CGEDMO C=CCOCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000549709241 334202332 /nfs/dbraw/zinc/20/23/32/334202332.db2.gz VYETUVYYWJEMAN-RCCFBDPRSA-N 1 1 271.404 3.457 20 30 CGEDMO CCCC[C@@H](C)[N@@H+](CCCC)CC(=O)NC1(C#N)CCC1 ZINC000550371774 334221205 /nfs/dbraw/zinc/22/12/05/334221205.db2.gz JSRMNYZQALDVFK-OAHLLOKOSA-N 1 1 293.455 3.230 20 30 CGEDMO CC[N@@H+](C[C@@H](C)C#N)C[C@H](C)c1ccc(OC)cc1 ZINC000245868932 334222138 /nfs/dbraw/zinc/22/21/38/334222138.db2.gz RBAYSMMNJSONQP-KBPBESRZSA-N 1 1 260.381 3.280 20 30 CGEDMO C=CCCCC[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000567571795 334256556 /nfs/dbraw/zinc/25/65/56/334256556.db2.gz ZNNKPGWVWYMNAG-QGZVFWFLSA-N 1 1 257.377 3.474 20 30 CGEDMO C=CCOc1ccc(C[NH2+]Cc2ccc3nc[nH]c3c2)cc1 ZINC000552174227 334299075 /nfs/dbraw/zinc/29/90/75/334299075.db2.gz PUTGUVYXZRIFKG-UHFFFAOYSA-N 1 1 293.370 3.418 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000158146907 334794021 /nfs/dbraw/zinc/79/40/21/334794021.db2.gz PBASDKXMLLLANN-UHFFFAOYSA-N 1 1 253.349 3.251 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@H](CC)c1cccc(OC)c1 ZINC000577418605 335351094 /nfs/dbraw/zinc/35/10/94/335351094.db2.gz DBSZLKANLUSYIO-DOTOQJQBSA-N 1 1 277.408 3.405 20 30 CGEDMO C=CCCCC[N@H+](CCNC(C)=O)Cc1ccsc1 ZINC000577467936 335355642 /nfs/dbraw/zinc/35/56/42/335355642.db2.gz FFVBKFOZNWWXMG-UHFFFAOYSA-N 1 1 280.437 3.043 20 30 CGEDMO C[C@H]1C[N@@H+](C)CC[C@@H]1Nc1cccc(OCCCC#N)c1 ZINC000346549076 335368972 /nfs/dbraw/zinc/36/89/72/335368972.db2.gz OVTJQNZKQJHOCX-YOEHRIQHSA-N 1 1 287.407 3.121 20 30 CGEDMO Cc1cccc2nc(C[NH2+][C@@H](C)c3ccc(C#N)cc3)cn21 ZINC000180141401 335553830 /nfs/dbraw/zinc/55/38/30/335553830.db2.gz BRRPRYYREPIHFJ-AWEZNQCLSA-N 1 1 290.370 3.365 20 30 CGEDMO CC[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1nccs1 ZINC000185049626 335944580 /nfs/dbraw/zinc/94/45/80/335944580.db2.gz RJDKWIKVCFSXAR-CQSZACIVSA-N 1 1 274.364 3.375 20 30 CGEDMO Cc1[nH+]ccn1CCSc1ccc(C#N)c(C)c1 ZINC000581250731 336031974 /nfs/dbraw/zinc/03/19/74/336031974.db2.gz OBMXGOJXIPHFBG-UHFFFAOYSA-N 1 1 257.362 3.164 20 30 CGEDMO C[C@H]1CC[C@]2(CC[N@@H+](CCOc3ccc(C#N)cc3)C2)C1 ZINC000359557957 533773601 /nfs/dbraw/zinc/77/36/01/533773601.db2.gz NXXQUNWJCCUQSO-YJBOKZPZSA-N 1 1 284.403 3.449 20 30 CGEDMO COc1ccc(C[C@H](C)C[N@@H+](C)CC2(C#N)CC2)cc1 ZINC000347495717 533777246 /nfs/dbraw/zinc/77/72/46/533777246.db2.gz XSQXCQKOAWYAKO-AWEZNQCLSA-N 1 1 272.392 3.109 20 30 CGEDMO C[C@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(C#N)cc1F ZINC000423370682 533924502 /nfs/dbraw/zinc/92/45/02/533924502.db2.gz FUPFHFKTQRUORJ-LBPRGKRZSA-N 1 1 295.361 3.151 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC1(O)CCC(C)CC1 ZINC000425532149 534078732 /nfs/dbraw/zinc/07/87/32/534078732.db2.gz ILPZWRLZIUORMZ-CSLYMUCUSA-N 1 1 286.419 3.492 20 30 CGEDMO C[C@@H](CNc1c(C#N)cccc1C#N)[N@H+]1CCCC[C@@H]1C ZINC000436309474 534086311 /nfs/dbraw/zinc/08/63/11/534086311.db2.gz SGDWULPPPFSTAA-KBPBESRZSA-N 1 1 282.391 3.105 20 30 CGEDMO C[C@@H]1Cc2[nH+]cn(Cc3ccc(C#N)c(F)c3)c2C[C@@H]1C ZINC000404179300 534089563 /nfs/dbraw/zinc/08/95/63/534089563.db2.gz ZKBFWAHDRCGWII-NEPJUHHUSA-N 1 1 283.350 3.313 20 30 CGEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2cnccc2C#N)C1 ZINC000359485869 534109492 /nfs/dbraw/zinc/10/94/92/534109492.db2.gz HSHLLEGIIHRDQM-WMLDXEAASA-N 1 1 292.386 3.201 20 30 CGEDMO COc1ccc(C[N@@H+](C)Cc2ccoc2C)cc1C#N ZINC000087833219 524006001 /nfs/dbraw/zinc/00/60/01/524006001.db2.gz NVFGZTAWAIZBEA-UHFFFAOYSA-N 1 1 270.332 3.100 20 30 CGEDMO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000363928683 534852688 /nfs/dbraw/zinc/85/26/88/534852688.db2.gz ZDLDEUOWGJTYPS-QGZVFWFLSA-N 1 1 298.365 3.076 20 30 CGEDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000363928683 534852691 /nfs/dbraw/zinc/85/26/91/534852691.db2.gz ZDLDEUOWGJTYPS-QGZVFWFLSA-N 1 1 298.365 3.076 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1CCO[C@H](C)C1 ZINC000352690690 526346097 /nfs/dbraw/zinc/34/60/97/526346097.db2.gz GJLVQKWOOXKKIU-CRAIPNDOSA-N 1 1 284.403 3.361 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)Cc1ccc(C(=O)OC)cn1 ZINC000352102327 526356764 /nfs/dbraw/zinc/35/67/64/526356764.db2.gz LSHSQGPYHPNDKS-UHFFFAOYSA-N 1 1 296.370 3.056 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(C(=O)OC)cn1 ZINC000352102327 526356769 /nfs/dbraw/zinc/35/67/69/526356769.db2.gz LSHSQGPYHPNDKS-UHFFFAOYSA-N 1 1 296.370 3.056 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cccc(OC)c1OC(C)C ZINC000353177957 526505398 /nfs/dbraw/zinc/50/53/98/526505398.db2.gz ZMJBADGJOXEXFK-UHFFFAOYSA-N 1 1 263.381 3.490 20 30 CGEDMO C=C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000353336963 526901804 /nfs/dbraw/zinc/90/18/04/526901804.db2.gz ZLIIJHILTJVQJR-XQRVVYSFSA-N 1 1 258.321 3.260 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000347684407 526930298 /nfs/dbraw/zinc/93/02/98/526930298.db2.gz QMKKCXKHDPTCNL-AWEZNQCLSA-N 1 1 285.391 3.178 20 30 CGEDMO C=CCOc1ccccc1C[N@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000347684407 526930303 /nfs/dbraw/zinc/93/03/03/526930303.db2.gz QMKKCXKHDPTCNL-AWEZNQCLSA-N 1 1 285.391 3.178 20 30 CGEDMO C=CCC(C)(C)CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000352540882 527010898 /nfs/dbraw/zinc/01/08/98/527010898.db2.gz QVKSLWFAEBDDSH-MRXNPFEDSA-N 1 1 288.435 3.398 20 30 CGEDMO C=CCCC[N@@H+](Cc1cccs1)[C@H]1C=C[C@H](CO)C1 ZINC000347359575 527197796 /nfs/dbraw/zinc/19/77/96/527197796.db2.gz WIFCHVGHWVNHJW-GJZGRUSLSA-N 1 1 277.433 3.453 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347797197 527251324 /nfs/dbraw/zinc/25/13/24/527251324.db2.gz JMTYDZHWGIBSDO-GFCCVEGCSA-N 1 1 275.352 3.093 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@](C)(F)C1 ZINC000347389648 527498712 /nfs/dbraw/zinc/49/87/12/527498712.db2.gz NDYDXNWSBCVNGX-MRXNPFEDSA-N 1 1 260.356 3.422 20 30 CGEDMO CC(C)C[N@H+]1CCCC[C@@H]1CNc1ncc(C#N)cc1F ZINC000413206252 527967419 /nfs/dbraw/zinc/96/74/19/527967419.db2.gz PMFUKMRDQJIEJK-CQSZACIVSA-N 1 1 290.386 3.015 20 30 CGEDMO CC(C)Oc1cccc(C[N@H+](C)CC2(C#N)CC2)c1 ZINC000347495885 528223408 /nfs/dbraw/zinc/22/34/08/528223408.db2.gz YDHGVFHTCOTRME-UHFFFAOYSA-N 1 1 258.365 3.209 20 30 CGEDMO CC(C)Oc1cccc(C[N@@H+](C)CC2(C#N)CC2)c1 ZINC000347495885 528223410 /nfs/dbraw/zinc/22/34/10/528223410.db2.gz YDHGVFHTCOTRME-UHFFFAOYSA-N 1 1 258.365 3.209 20 30 CGEDMO CC(C)c1ncc(C[N@H+](C)Cc2ccc(C#N)cc2)cn1 ZINC000440468054 528347492 /nfs/dbraw/zinc/34/74/92/528347492.db2.gz MRKUBBBSNCLZGG-UHFFFAOYSA-N 1 1 280.375 3.104 20 30 CGEDMO CC(C)c1ncc(C[N@@H+](C)Cc2ccc(C#N)cc2)cn1 ZINC000440468054 528347495 /nfs/dbraw/zinc/34/74/95/528347495.db2.gz MRKUBBBSNCLZGG-UHFFFAOYSA-N 1 1 280.375 3.104 20 30 CGEDMO CC(C)[C@@H]1[N@@H+](Cc2cc(C#N)n(C)c2)CC12CCCC2 ZINC000449792177 528811917 /nfs/dbraw/zinc/81/19/17/528811917.db2.gz RZPIZWLVIBWBDD-INIZCTEOSA-N 1 1 271.408 3.297 20 30 CGEDMO CCOC[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439433952 528938663 /nfs/dbraw/zinc/93/86/63/528938663.db2.gz ANVROFBKECMYQR-CYBMUJFWSA-N 1 1 278.783 3.070 20 30 CGEDMO CCO[C@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C[C@@H]1C ZINC000451538345 535631393 /nfs/dbraw/zinc/63/13/93/535631393.db2.gz JBVBDVSHUNGABE-LRDDRELGSA-N 1 1 292.810 3.459 20 30 CGEDMO CCO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C[C@@H]1C ZINC000451538345 535631395 /nfs/dbraw/zinc/63/13/95/535631395.db2.gz JBVBDVSHUNGABE-LRDDRELGSA-N 1 1 292.810 3.459 20 30 CGEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)C1CC(C)(C)C1 ZINC000459733083 536881981 /nfs/dbraw/zinc/88/19/81/536881981.db2.gz ABLKCOOHPAXCMJ-UHFFFAOYSA-N 1 1 288.391 3.066 20 30 CGEDMO C=CC[N@H+](CN1C[C@H](c2ccccc2C)CC1=O)C(C)C ZINC000728196368 571794641 /nfs/dbraw/zinc/79/46/41/571794641.db2.gz QKRLCQQVGKYJGW-MRXNPFEDSA-N 1 1 286.419 3.165 20 30 CGEDMO C=CC[N@@H+](CN1C[C@H](c2ccccc2C)CC1=O)C(C)C ZINC000728196368 571794645 /nfs/dbraw/zinc/79/46/45/571794645.db2.gz QKRLCQQVGKYJGW-MRXNPFEDSA-N 1 1 286.419 3.165 20 30 CGEDMO CCCCCCC[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000729524672 571924168 /nfs/dbraw/zinc/92/41/68/571924168.db2.gz KXEIKPRPSVDCCC-CABCVRRESA-N 1 1 268.445 3.051 20 30 CGEDMO CC[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000593957814 571987084 /nfs/dbraw/zinc/98/70/84/571987084.db2.gz JWVWSZKHACULPX-SFHVURJKSA-N 1 1 277.371 3.463 20 30 CGEDMO CCCCCCCCCNC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000731116193 572395844 /nfs/dbraw/zinc/39/58/44/572395844.db2.gz LGRAPJSXQCJLBN-INIZCTEOSA-N 1 1 297.487 3.378 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc(OCC#N)cc1)C1CCC1 ZINC000740886094 572466502 /nfs/dbraw/zinc/46/65/02/572466502.db2.gz FTIOIJNEYSUTTQ-UHFFFAOYSA-N 1 1 258.365 3.352 20 30 CGEDMO CC[N@H+](CCN1CCCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000741754041 572522353 /nfs/dbraw/zinc/52/23/53/572522353.db2.gz GLHCEURQDJDWBI-HNNXBMFYSA-N 1 1 271.408 3.037 20 30 CGEDMO CC[N@@H+](CCN1CCCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000741754041 572522356 /nfs/dbraw/zinc/52/23/56/572522356.db2.gz GLHCEURQDJDWBI-HNNXBMFYSA-N 1 1 271.408 3.037 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000741786992 572529610 /nfs/dbraw/zinc/52/96/10/572529610.db2.gz DIHROZZENCRUOU-MRXNPFEDSA-N 1 1 280.456 3.291 20 30 CGEDMO C=CC[C@@H]([NH2+]Cc1ccc2nc[nH]c2c1)c1ccncc1 ZINC000734508684 572661718 /nfs/dbraw/zinc/66/17/18/572661718.db2.gz BSERHVMXYGAIFT-OAHLLOKOSA-N 1 1 278.359 3.365 20 30 CGEDMO C#CC[N@@H+](CC#CC)CCCc1ccc(Cl)cc1 ZINC000743852511 572690788 /nfs/dbraw/zinc/69/07/88/572690788.db2.gz UBFFAEDOTXTBCJ-UHFFFAOYSA-N 1 1 259.780 3.231 20 30 CGEDMO C#CC[N@H+](C[C@H](O)c1ccc(F)cc1C)C1CCCCC1 ZINC000746662570 572889470 /nfs/dbraw/zinc/88/94/70/572889470.db2.gz FFQZVUYDECVYKJ-SFHVURJKSA-N 1 1 289.394 3.435 20 30 CGEDMO CC(C)CCC(N)=[NH+]OCc1cn2ccccc2c1C#N ZINC000747832063 572950655 /nfs/dbraw/zinc/95/06/55/572950655.db2.gz KHOZQKHYNWBDEE-UHFFFAOYSA-N 1 1 284.363 3.246 20 30 CGEDMO C#CC[N@H+](Cc1ccc(Br)o1)C1CCCC1 ZINC000792170128 629343855 /nfs/dbraw/zinc/34/38/55/629343855.db2.gz PROCQLZOKCEOLW-UHFFFAOYSA-N 1 1 282.181 3.420 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H](C)CC(C)C ZINC000823915320 608870830 /nfs/dbraw/zinc/87/08/30/608870830.db2.gz UPCSBBQRPDQULR-CQSZACIVSA-N 1 1 299.422 3.289 20 30 CGEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CCCC)[C@H](C)C2)cc1 ZINC000947611010 613185864 /nfs/dbraw/zinc/18/58/64/613185864.db2.gz FBBFOXZGBGXXPM-CRAIPNDOSA-N 1 1 298.430 3.051 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)C(CC)CC)C2)C1 ZINC000981632493 613250435 /nfs/dbraw/zinc/25/04/35/613250435.db2.gz FSEFCCLOGRUCQH-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@]2(C)CCC[C@@H]2C)CC1 ZINC000981898869 613253492 /nfs/dbraw/zinc/25/34/92/613253492.db2.gz SUCHCSKSUPSCIC-WMZOPIPTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@]2(C)CCC[C@H]2C)CC1 ZINC000981898864 613253682 /nfs/dbraw/zinc/25/36/82/613253682.db2.gz SUCHCSKSUPSCIC-AEFFLSMTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)[C@]2(C)CC=CCC2)CC1 ZINC000981233440 613254867 /nfs/dbraw/zinc/25/48/67/613254867.db2.gz RDTUINLTCOOXQD-GOSISDBHSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)c2csc(C)c2)CC1 ZINC000982212527 613255595 /nfs/dbraw/zinc/25/55/95/613255595.db2.gz FCKVUWWMMNWVEM-UHFFFAOYSA-N 1 1 292.448 3.171 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2(C)CCCC2)[C@H](C)C1 ZINC000942540132 613265394 /nfs/dbraw/zinc/26/53/94/613265394.db2.gz HEQZXMFONFWJEA-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)co2)C[C@@H]1C ZINC000947629998 613266631 /nfs/dbraw/zinc/26/66/31/613266631.db2.gz SIVSEULDGDMXBD-LSDHHAIUSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C2CCC2)C(C)(C)C1 ZINC000974719153 613274007 /nfs/dbraw/zinc/27/40/07/613274007.db2.gz KKPZNXHDDIHRLS-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2sc(C)cc2C)C1 ZINC000971610378 613287830 /nfs/dbraw/zinc/28/78/30/613287830.db2.gz FGAWZWDXFGTTMJ-CQSZACIVSA-N 1 1 292.448 3.087 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H](C)C2CCC2)CC1 ZINC000948541648 613313540 /nfs/dbraw/zinc/31/35/40/613313540.db2.gz HJVZTLVEPZYYRP-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)C(C)=C2CCC2)CC1 ZINC000948361538 613314610 /nfs/dbraw/zinc/31/46/10/613314610.db2.gz HLLVPWHNGPMWEB-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)CC2=CCCCC2)C1 ZINC000965621901 613323833 /nfs/dbraw/zinc/32/38/33/613323833.db2.gz HVRWSRNVGGBXAH-WBVHZDCISA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CC2=CCCCC2)C[C@@H]1C ZINC000947143213 613327365 /nfs/dbraw/zinc/32/73/65/613327365.db2.gz IEFMDVJSKXEYOH-DOTOQJQBSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccoc2Cl)C[C@@H]1C ZINC000947250849 613330579 /nfs/dbraw/zinc/33/05/79/613330579.db2.gz YQSLDMBRNDFNEA-NWDGAFQWSA-N 1 1 296.798 3.092 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(F)=C2CCCC2)C[C@@H]1C ZINC000947196415 613334583 /nfs/dbraw/zinc/33/45/83/613334583.db2.gz UFXYHNSFPNKAHT-ZFWWWQNUSA-N 1 1 294.414 3.329 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C2(C)CCCCC2)[C@H](C)C1 ZINC000942598345 613334753 /nfs/dbraw/zinc/33/47/53/613334753.db2.gz WBKRUYMMUQBKME-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)CC2CCCCC2)[C@H](C)C1 ZINC000941770750 613334929 /nfs/dbraw/zinc/33/49/29/613334929.db2.gz AYJZIMSHNODAME-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC2(C)C)C(C)(C)C1 ZINC000940965331 613335663 /nfs/dbraw/zinc/33/56/63/613335663.db2.gz OBUDWAMDNFXOCQ-CABCVRRESA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)c(C)o2)C[C@H]1C ZINC000947200969 613335941 /nfs/dbraw/zinc/33/59/41/613335941.db2.gz UMWISIJXSSULIE-HIFRSBDPSA-N 1 1 290.407 3.055 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C(C)(C)C1 ZINC000974807272 613338274 /nfs/dbraw/zinc/33/82/74/613338274.db2.gz MBYCEFVNCZGWMF-RBSFLKMASA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)c2sccc2C)C(C)(C)C1 ZINC000972758690 613342492 /nfs/dbraw/zinc/34/24/92/613342492.db2.gz WYKPRYYZOUFBFC-ZDUSSCGKSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)CCC2CCCC2)C1 ZINC000970998652 613368154 /nfs/dbraw/zinc/36/81/54/613368154.db2.gz DQWFGWJKAXWVTF-OAHLLOKOSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)CCC2CCCC2)C1 ZINC000970998652 613368155 /nfs/dbraw/zinc/36/81/55/613368155.db2.gz DQWFGWJKAXWVTF-OAHLLOKOSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC000972272522 613368788 /nfs/dbraw/zinc/36/87/88/613368788.db2.gz QCDTUZVKRGECAT-UONOGXRCSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC000972272522 613368789 /nfs/dbraw/zinc/36/87/89/613368789.db2.gz QCDTUZVKRGECAT-UONOGXRCSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccoc1 ZINC000968753999 613372902 /nfs/dbraw/zinc/37/29/02/613372902.db2.gz VKGSQBNDSNZPMY-CQSZACIVSA-N 1 1 296.798 3.007 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccoc1 ZINC000968753999 613372903 /nfs/dbraw/zinc/37/29/03/613372903.db2.gz VKGSQBNDSNZPMY-CQSZACIVSA-N 1 1 296.798 3.007 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](N(C)C(=O)CC2CCC2)CC1 ZINC000948257226 613374184 /nfs/dbraw/zinc/37/41/84/613374184.db2.gz PHYLKGLQHSFKPM-OAHLLOKOSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](N(C)C(=O)C2=CCCC2)CC1 ZINC000948295056 613374287 /nfs/dbraw/zinc/37/42/87/613374287.db2.gz LXVISKUUXXMTLP-HNNXBMFYSA-N 1 1 296.842 3.162 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](CCCC)[C@H](C)C2)C1 ZINC000947702287 613397421 /nfs/dbraw/zinc/39/74/21/613397421.db2.gz LXMDMFKJAXOSFG-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](CC(C)C)CC[C@@H]2C)CC1 ZINC000968153776 613410758 /nfs/dbraw/zinc/41/07/58/613410758.db2.gz MMDHYGFTOTYSIZ-DOTOQJQBSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC2(C1)CCC[N@H+](C[C@@H](C)CC)C2 ZINC000981932749 613429291 /nfs/dbraw/zinc/42/92/91/613429291.db2.gz DRZUQNBZMPUEIF-HNNXBMFYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)c2c(C)cccc2C)C1 ZINC000952324422 613478924 /nfs/dbraw/zinc/47/89/24/613478924.db2.gz CFNJFMIUBCQNRS-UHFFFAOYSA-N 1 1 286.419 3.026 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)CC2CCCC2)CC1 ZINC000948152932 613499801 /nfs/dbraw/zinc/49/98/01/613499801.db2.gz WQBIQYSDQLJEMZ-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=C)C)C[C@H]2C)cc1 ZINC000942892189 613514508 /nfs/dbraw/zinc/51/45/08/613514508.db2.gz DOSKZUHDZSLZIR-CRAIPNDOSA-N 1 1 298.430 3.346 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC000968565098 613517144 /nfs/dbraw/zinc/51/71/44/613517144.db2.gz DMALZXOKWSUGTJ-QBPKDAKJSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C=C2CCCCC2)C1 ZINC000965446772 613517394 /nfs/dbraw/zinc/51/73/94/613517394.db2.gz FZZRJOZIDAGKFR-NVXWUHKLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C2CCCCC2)C[C@H]1C ZINC000947005713 613520187 /nfs/dbraw/zinc/52/01/87/613520187.db2.gz SNESGIWLFKDCAL-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Cl)o2)C[C@@H]1C ZINC000947060285 613524802 /nfs/dbraw/zinc/52/48/02/613524802.db2.gz AUNOKZVXIZOGPL-NWDGAFQWSA-N 1 1 296.798 3.092 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2occc2Cl)C[C@@H]1C ZINC000947686213 613527907 /nfs/dbraw/zinc/52/79/07/613527907.db2.gz VLZAZFLAIIVQMO-NWDGAFQWSA-N 1 1 296.798 3.092 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2CCC=CCC2)C1 ZINC000968665453 613531054 /nfs/dbraw/zinc/53/10/54/613531054.db2.gz SBCQCUQJDLXSTO-DOTOQJQBSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2(C)CC(=C)C2)C(C)(C)C1 ZINC000941018435 613532933 /nfs/dbraw/zinc/53/29/33/613532933.db2.gz WOOKSROUUVFUEM-HNNXBMFYSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2(C)CCCC2)C[C@@H]1C ZINC000947584268 613534266 /nfs/dbraw/zinc/53/42/66/613534266.db2.gz HGYHXAJOLUGUSG-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC2(C)C)C(C)(C)C1 ZINC000940965110 613536093 /nfs/dbraw/zinc/53/60/93/613536093.db2.gz JWLATVIGIQJYNM-GJZGRUSLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccccc3)C[C@H]2C1 ZINC000979493217 613550537 /nfs/dbraw/zinc/55/05/37/613550537.db2.gz ZBGHHSWTIBBIET-OKZBNKHCSA-N 1 1 298.430 3.093 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C(C)(C)C1 ZINC000975054460 613554606 /nfs/dbraw/zinc/55/46/06/613554606.db2.gz HVXJBQVUOYMQFN-OAGGEKHMSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)C(C)(C)C(C)(C)C)C2)C1 ZINC000981932782 613676874 /nfs/dbraw/zinc/67/68/74/613676874.db2.gz FEAPIHVNVMRUIJ-UHFFFAOYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1occc1CC ZINC000969014302 613687414 /nfs/dbraw/zinc/68/74/14/613687414.db2.gz WSYCUYZKFSYMDQ-HNNXBMFYSA-N 1 1 290.407 3.002 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)C[C@@H]2C=CCCC2)CC1 ZINC000948542349 613700845 /nfs/dbraw/zinc/70/08/45/613700845.db2.gz QNBMQNXTBAQHAX-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)c2cccc(C)c2)CC1 ZINC000948162313 613705452 /nfs/dbraw/zinc/70/54/52/613705452.db2.gz PHSFUUDVGNILQM-KRWDZBQOSA-N 1 1 286.419 3.108 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2Cl)C[C@@H]1C ZINC000947958032 613754074 /nfs/dbraw/zinc/75/40/74/613754074.db2.gz OPSITOOJPVXBLY-QWHCGFSZSA-N 1 1 292.810 3.109 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccsc2Cl)C1 ZINC000968386611 613774957 /nfs/dbraw/zinc/77/49/57/613774957.db2.gz MKXXOHJHXOWNQI-CMPLNLGQSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC)s2)C[C@H]1C ZINC000947516747 613790598 /nfs/dbraw/zinc/79/05/98/613790598.db2.gz WYDZDEJCLWDFRD-OLZOCXBDSA-N 1 1 292.448 3.079 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccoc2C(C)C)[C@H](C)C1 ZINC000945332703 613794424 /nfs/dbraw/zinc/79/44/24/613794424.db2.gz FVMRBIMTBANUES-HIFRSBDPSA-N 1 1 290.407 3.029 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)C(C)(C)C1 ZINC000977681537 613826521 /nfs/dbraw/zinc/82/65/21/613826521.db2.gz NTHOHEGOXPTZTG-ZDUSSCGKSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCC2CC2)C1 ZINC001021549097 618034935 /nfs/dbraw/zinc/03/49/35/618034935.db2.gz WIHCAUSMDSGOQJ-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO N#Cc1ccc(F)c(C[NH2+]Cc2ccc(F)c(F)c2)c1 ZINC000049577812 617618945 /nfs/dbraw/zinc/61/89/45/617618945.db2.gz WMLYVCNUIOMPFB-UHFFFAOYSA-N 1 1 276.261 3.265 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC(C)C)C1 ZINC001021506023 618014984 /nfs/dbraw/zinc/01/49/84/618014984.db2.gz QNAFRHHYSSWYLP-SJORKVTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC(C)(C)NC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000891266143 618068751 /nfs/dbraw/zinc/06/87/51/618068751.db2.gz GSAMTPAXOFLBPK-MRXNPFEDSA-N 1 1 286.419 3.190 20 30 CGEDMO C=CC[N@H+](Cc1[nH]cc(C(=O)OC)c1C1CC1)C(C)C ZINC000891675370 618245481 /nfs/dbraw/zinc/24/54/81/618245481.db2.gz UGRVYDKDWCXZBG-UHFFFAOYSA-N 1 1 276.380 3.075 20 30 CGEDMO C#CCCCCCCn1cc(C[NH+]2CCC(C)CC2)nn1 ZINC000900641099 620802842 /nfs/dbraw/zinc/80/28/42/620802842.db2.gz KEQSALSCXWYEJP-UHFFFAOYSA-N 1 1 288.439 3.094 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1nnc(-c2cccc(F)c2)o1 ZINC000934469853 618627077 /nfs/dbraw/zinc/62/70/77/618627077.db2.gz ZUDCDNKGNPHJQL-ZDUSSCGKSA-N 1 1 273.311 3.026 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1nnc(-c2cccc(F)c2)o1 ZINC000934469853 618627079 /nfs/dbraw/zinc/62/70/79/618627079.db2.gz ZUDCDNKGNPHJQL-ZDUSSCGKSA-N 1 1 273.311 3.026 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000934472775 618628455 /nfs/dbraw/zinc/62/84/55/618628455.db2.gz UMXOGECGWXAHRL-OAHLLOKOSA-N 1 1 253.349 3.023 20 30 CGEDMO Fc1ccc(C[NH2+]CC#Cc2ccccc2)c(F)c1 ZINC000051814439 618649467 /nfs/dbraw/zinc/64/94/67/618649467.db2.gz MBNDIJVDCJETNE-UHFFFAOYSA-N 1 1 257.283 3.106 20 30 CGEDMO C[C@@H]([NH2+][C@@H](C)CC(C)(C)C#N)c1c(F)cncc1F ZINC000926417749 618650596 /nfs/dbraw/zinc/65/05/96/618650596.db2.gz IAECXEXJGXEFNT-VHSXEESVSA-N 1 1 267.323 3.339 20 30 CGEDMO CC(C)OC(=O)C(C)(C)[NH2+]CCCCC(C)(C)C#N ZINC000934820464 618697311 /nfs/dbraw/zinc/69/73/11/618697311.db2.gz QAVVFECBDWGLQV-UHFFFAOYSA-N 1 1 268.401 3.026 20 30 CGEDMO Cc1nonc1[C@H](C)[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000926479226 618706282 /nfs/dbraw/zinc/70/62/82/618706282.db2.gz INZMOSTVDARBJF-WFASDCNBSA-N 1 1 284.363 3.464 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000158613965 618733042 /nfs/dbraw/zinc/73/30/42/618733042.db2.gz TWWYICIMUINICP-QGZVFWFLSA-N 1 1 294.439 3.286 20 30 CGEDMO C#C[C@@H](CC)[NH2+]Cc1c(F)cccc1Br ZINC000309096270 618762120 /nfs/dbraw/zinc/76/21/20/618762120.db2.gz DYWNTUOXMIXIKM-VIFPVBQESA-N 1 1 270.145 3.090 20 30 CGEDMO C#CCCC[NH2+]CC(C)(C)CN(C)Cc1ccccc1 ZINC000177561336 618829172 /nfs/dbraw/zinc/82/91/72/618829172.db2.gz KVJZHWGPAIJWTA-UHFFFAOYSA-N 1 1 272.436 3.148 20 30 CGEDMO C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2cc[nH]n2)cc1 ZINC000177958836 618851911 /nfs/dbraw/zinc/85/19/11/618851911.db2.gz DRIGKMXZJPLJMX-LBPRGKRZSA-N 1 1 291.782 3.392 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000310851437 618873553 /nfs/dbraw/zinc/87/35/53/618873553.db2.gz RAOQBOYDAPZPDO-ZIAGYGMSSA-N 1 1 252.402 3.063 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1cc(O)cc(F)c1 ZINC000926874871 618960724 /nfs/dbraw/zinc/96/07/24/618960724.db2.gz VEEBCPIEZNVAQH-LLVKDONJSA-N 1 1 262.328 3.266 20 30 CGEDMO C#C[C@H](C)N(C)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000775183049 619002799 /nfs/dbraw/zinc/00/27/99/619002799.db2.gz GXZMYOZCAHOTQF-INIZCTEOSA-N 1 1 272.436 3.098 20 30 CGEDMO CCCCc1nc(CO[NH+]=C(N)C2CCCCCC2)no1 ZINC000179003841 619005706 /nfs/dbraw/zinc/00/57/06/619005706.db2.gz CFMUFLDBSQPVAS-UHFFFAOYSA-N 1 1 294.399 3.171 20 30 CGEDMO Cc1cc(Br)cc(C[NH2+]CC(C)(C)C#N)c1 ZINC000309836346 619055285 /nfs/dbraw/zinc/05/52/85/619055285.db2.gz BEWYDJNYUUJOSP-UHFFFAOYSA-N 1 1 281.197 3.397 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](C[C@@H]2CCCC3(CCC3)O2)C1 ZINC000930923447 619092894 /nfs/dbraw/zinc/09/28/94/619092894.db2.gz HZLPVYUPOFMCCI-CABCVRRESA-N 1 1 262.397 3.104 20 30 CGEDMO C[C@@H]1COC2(CCC2)C[N@H+]1CCCCC1(C#N)CCC1 ZINC000930967907 619096681 /nfs/dbraw/zinc/09/66/81/619096681.db2.gz RVQUQOWOLVXTRZ-OAHLLOKOSA-N 1 1 276.424 3.494 20 30 CGEDMO C#C[C@H]([NH2+][C@H](C)c1cccc(Cl)c1F)[C@H]1CCCO1 ZINC000775806499 619103229 /nfs/dbraw/zinc/10/32/29/619103229.db2.gz LYYDIDDHDKAVPB-DDTOSNHZSA-N 1 1 281.758 3.311 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CC2CCCCC2)C1 ZINC001006670505 619149904 /nfs/dbraw/zinc/14/99/04/619149904.db2.gz YEDQOJPGVXJZHY-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C[N@@H+](CCCCC1(C#N)CCC1)[C@H]1CCC[C@H]1C#N ZINC000931473870 619178941 /nfs/dbraw/zinc/17/89/41/619178941.db2.gz BXHORUBICIUMHI-GJZGRUSLSA-N 1 1 259.397 3.475 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001009663954 619184392 /nfs/dbraw/zinc/18/43/92/619184392.db2.gz VLXPEARTHXVBFF-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@@H]2CSC)cc1 ZINC000093761235 619214911 /nfs/dbraw/zinc/21/49/11/619214911.db2.gz YMZWTQSMEKREMH-MRXNPFEDSA-N 1 1 289.444 3.416 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)cs1 ZINC000893654798 619271233 /nfs/dbraw/zinc/27/12/33/619271233.db2.gz WNIRYQDFFRZVHX-KRWDZBQOSA-N 1 1 296.395 3.251 20 30 CGEDMO C=CC[N@H+](Cc1[nH]nc(C)c1C)Cc1ccc(OC)cc1 ZINC000893969935 619342187 /nfs/dbraw/zinc/34/21/87/619342187.db2.gz ZSGSFWDVLGJQEZ-UHFFFAOYSA-N 1 1 285.391 3.223 20 30 CGEDMO C=CC[N@@H+](Cc1[nH]nc(C)c1C)Cc1ccc(OC)cc1 ZINC000893969935 619342188 /nfs/dbraw/zinc/34/21/88/619342188.db2.gz ZSGSFWDVLGJQEZ-UHFFFAOYSA-N 1 1 285.391 3.223 20 30 CGEDMO C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000877812622 619418051 /nfs/dbraw/zinc/41/80/51/619418051.db2.gz RQIVLJFRDGVDLW-LLVKDONJSA-N 1 1 274.311 3.394 20 30 CGEDMO C[C@@H]1CC(=NOCC2CC2)C[N@H+](Cc2ccccc2)C1 ZINC000814244153 619418858 /nfs/dbraw/zinc/41/88/58/619418858.db2.gz GNGCZSGBBIJDPB-CQSZACIVSA-N 1 1 272.392 3.311 20 30 CGEDMO C=CCCCC[N@H+]1CC[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000880066040 619544024 /nfs/dbraw/zinc/54/40/24/619544024.db2.gz CAQUWYNLMNXUET-NWDGAFQWSA-N 1 1 265.319 3.384 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000894648591 619594816 /nfs/dbraw/zinc/59/48/16/619594816.db2.gz IQRZSGKEEJBPCD-OALUTQOASA-N 1 1 296.414 3.319 20 30 CGEDMO C=CCCCCCCNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000894833378 619647916 /nfs/dbraw/zinc/64/79/16/619647916.db2.gz SURAPVXVJABVLE-HZPDHXFCSA-N 1 1 293.455 3.001 20 30 CGEDMO CCOC[C@@H]1CCCC[N@H+]1Cc1csc(C#N)c1 ZINC000894856921 619655278 /nfs/dbraw/zinc/65/52/78/619655278.db2.gz QPVJRQOXLHUTGD-ZDUSSCGKSA-N 1 1 264.394 3.011 20 30 CGEDMO CCc1[nH+]c(C=NOC[C@H](C)CC)c2ccccn12 ZINC000793162252 619701067 /nfs/dbraw/zinc/70/10/67/619701067.db2.gz ABALTTAUCRLMOX-GFCCVEGCSA-N 1 1 259.353 3.293 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2nc(C(C)(C)C)co2)C1 ZINC000895101105 619729466 /nfs/dbraw/zinc/72/94/66/619729466.db2.gz HPTPPQJASRASTA-ZDUSSCGKSA-N 1 1 260.381 3.207 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2nc(C(C)(C)C)co2)C1 ZINC000895101105 619729468 /nfs/dbraw/zinc/72/94/68/619729468.db2.gz HPTPPQJASRASTA-ZDUSSCGKSA-N 1 1 260.381 3.207 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2c(C)nn(C(C)C)c2C)C1 ZINC000895101483 619729636 /nfs/dbraw/zinc/72/96/36/619729636.db2.gz MKCSRHUTFHUHMY-INIZCTEOSA-N 1 1 273.424 3.316 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)cs1 ZINC000895450792 619831570 /nfs/dbraw/zinc/83/15/70/619831570.db2.gz NQXCQQIUSCTERW-OAHLLOKOSA-N 1 1 284.384 3.273 20 30 CGEDMO CCOc1ccc(C[N@@H+](C)CCc2cccc(C#N)c2)o1 ZINC000895785895 619885330 /nfs/dbraw/zinc/88/53/30/619885330.db2.gz KNKUBQUKKXRAHX-UHFFFAOYSA-N 1 1 284.359 3.224 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000896233840 619972473 /nfs/dbraw/zinc/97/24/73/619972473.db2.gz XNLWFKJHRUSIRI-OIISXLGYSA-N 1 1 254.377 3.200 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000896536894 620023111 /nfs/dbraw/zinc/02/31/11/620023111.db2.gz RHIGRRVNKLPYTL-KGLIPLIRSA-N 1 1 277.437 3.337 20 30 CGEDMO CCCCCCCC[N@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000796378359 620096340 /nfs/dbraw/zinc/09/63/40/620096340.db2.gz PWWNMVSMEPQNOY-SJORKVTESA-N 1 1 282.472 3.142 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)Cc1ccc(Cl)nc1 ZINC000796638657 620117644 /nfs/dbraw/zinc/11/76/44/620117644.db2.gz DIELNNNNMUXJBD-UHFFFAOYSA-N 1 1 270.763 3.370 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(Cl)nc1 ZINC000796638657 620117646 /nfs/dbraw/zinc/11/76/46/620117646.db2.gz DIELNNNNMUXJBD-UHFFFAOYSA-N 1 1 270.763 3.370 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)c2ccc(C)cc2C)CC1 ZINC000985771358 620237828 /nfs/dbraw/zinc/23/78/28/620237828.db2.gz OLXGCLMXGLECKZ-UHFFFAOYSA-N 1 1 286.419 3.026 20 30 CGEDMO C[C@@H](c1cccnc1)[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC000179142657 620348450 /nfs/dbraw/zinc/34/84/50/620348450.db2.gz DSKDHDNUFSHBJF-HNNXBMFYSA-N 1 1 295.386 3.415 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)cs1)C[C@@]1(C)CCCS1 ZINC000897624581 620412243 /nfs/dbraw/zinc/41/22/43/620412243.db2.gz PZYRFFNMFVPTGA-CYBMUJFWSA-N 1 1 266.435 3.337 20 30 CGEDMO Cc1cc(C[N@H+](C)Cc2cc(C#N)cs2)c(C)o1 ZINC000897625739 620412601 /nfs/dbraw/zinc/41/26/01/620412601.db2.gz NBNXBIDIRQQEOT-UHFFFAOYSA-N 1 1 260.362 3.462 20 30 CGEDMO Cc1cc(C[N@@H+](C)Cc2cc(C#N)cs2)c(C)o1 ZINC000897625739 620412606 /nfs/dbraw/zinc/41/26/06/620412606.db2.gz NBNXBIDIRQQEOT-UHFFFAOYSA-N 1 1 260.362 3.462 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1cn(C)nc1-c1cccnc1 ZINC000898246342 620497350 /nfs/dbraw/zinc/49/73/50/620497350.db2.gz QNWRYTSRTOGZML-UHFFFAOYSA-N 1 1 284.407 3.270 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)CCC2CCCCC2)CC1 ZINC000989603166 620518570 /nfs/dbraw/zinc/51/85/70/620518570.db2.gz JCFRZOUCKAAEPB-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)[C@@]2(C)CC=C(C)CC2)CC1 ZINC000989717795 620522328 /nfs/dbraw/zinc/52/23/28/620522328.db2.gz KOALCPALTDOWFO-SFHVURJKSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)c3cccs3)CCC[C@H]12 ZINC000989925628 620532440 /nfs/dbraw/zinc/53/24/40/620532440.db2.gz OFQHOPIDXGPTJT-GOEBONIOSA-N 1 1 290.432 3.051 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)CC3CCC3)CCC[C@@H]12 ZINC000990137773 620536659 /nfs/dbraw/zinc/53/66/59/620536659.db2.gz SYXARVOKHMPGCB-SJLPKXTDSA-N 1 1 290.451 3.256 20 30 CGEDMO C=CC(C)(C)[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000898460432 620590035 /nfs/dbraw/zinc/59/00/35/620590035.db2.gz LLPXHCGNASSJOH-UHFFFAOYSA-N 1 1 250.289 3.216 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)cs1 ZINC000898513386 620594302 /nfs/dbraw/zinc/59/43/02/620594302.db2.gz SSAFKBUCVIYGBP-CABCVRRESA-N 1 1 290.432 3.258 20 30 CGEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NCc1cccc(C#N)c1 ZINC000237521082 620984653 /nfs/dbraw/zinc/98/46/53/620984653.db2.gz NRLJECYLNVCUMM-XHSDSOJGSA-N 1 1 285.435 3.014 20 30 CGEDMO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]Cc1cccc(C#N)c1 ZINC000237521082 620984656 /nfs/dbraw/zinc/98/46/56/620984656.db2.gz NRLJECYLNVCUMM-XHSDSOJGSA-N 1 1 285.435 3.014 20 30 CGEDMO CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)CCO[C@@H](C)C#N ZINC000801926631 621396013 /nfs/dbraw/zinc/39/60/13/621396013.db2.gz YDMZIVPWIVNFJR-YOEHRIQHSA-N 1 1 292.398 3.253 20 30 CGEDMO CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)CCO[C@@H](C)C#N ZINC000801926629 621396437 /nfs/dbraw/zinc/39/64/37/621396437.db2.gz YDMZIVPWIVNFJR-WMLDXEAASA-N 1 1 292.398 3.253 20 30 CGEDMO CC[C@H](N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(C#N)c1 ZINC000902832006 621466973 /nfs/dbraw/zinc/46/69/73/621466973.db2.gz HXHOMAZBBYGVDR-KSZLIROESA-N 1 1 285.435 3.472 20 30 CGEDMO CC[C@@H]([NH2+]C1CCN(C(C)C)CC1)c1cccc(C#N)c1 ZINC000902850316 621472717 /nfs/dbraw/zinc/47/27/17/621472717.db2.gz LOENKTYMMSBUPQ-GOSISDBHSA-N 1 1 285.435 3.472 20 30 CGEDMO CC[C@@H](NC1CC[NH+](C(C)C)CC1)c1cccc(C#N)c1 ZINC000902850316 621472721 /nfs/dbraw/zinc/47/27/21/621472721.db2.gz LOENKTYMMSBUPQ-GOSISDBHSA-N 1 1 285.435 3.472 20 30 CGEDMO C[C@H](Nc1cc(C2CC2)cc[nH+]1)c1cc(C#N)ccn1 ZINC000902997071 621522342 /nfs/dbraw/zinc/52/23/42/621522342.db2.gz RAHAEVAZPVCSCO-NSHDSACASA-N 1 1 264.332 3.399 20 30 CGEDMO COCCOc1ccc([C@@H](C)[NH2+]CC2(C#N)CCC2)cc1 ZINC000903031548 621535006 /nfs/dbraw/zinc/53/50/06/621535006.db2.gz LPUUGJKCYPGVMB-CQSZACIVSA-N 1 1 288.391 3.056 20 30 CGEDMO CC[C@@H]([NH2+]CC(C)(C)C#N)c1cccc(OC)c1OC ZINC000903102220 621576120 /nfs/dbraw/zinc/57/61/20/621576120.db2.gz UWXJDOVRMIEEAM-CYBMUJFWSA-N 1 1 276.380 3.294 20 30 CGEDMO N#CC1(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000903106426 621579587 /nfs/dbraw/zinc/57/95/87/621579587.db2.gz QBHVUCVQGJGQAD-CYBMUJFWSA-N 1 1 276.767 3.447 20 30 CGEDMO N#CC1(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000903106838 621580817 /nfs/dbraw/zinc/58/08/17/621580817.db2.gz WQCCIAMDIKZFOF-NNZMDNLPSA-N 1 1 295.430 3.075 20 30 CGEDMO C[C@@H]1C[C@H](Nc2ccc(CCC#N)cc2)C[N@H+]1C1CC1 ZINC000903297654 621664878 /nfs/dbraw/zinc/66/48/78/621664878.db2.gz ILJMLSSLBILIAJ-CJNGLKHVSA-N 1 1 269.392 3.180 20 30 CGEDMO N#CCCc1ccc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000903297802 621665526 /nfs/dbraw/zinc/66/55/26/621665526.db2.gz KLSXOKQERWJKGL-IAGOWNOFSA-N 1 1 269.392 3.181 20 30 CGEDMO C=CC[C@H](C)[C@H](C)[NH2+][C@H](CCN(C)C)c1cccnc1 ZINC000903382756 621723925 /nfs/dbraw/zinc/72/39/25/621723925.db2.gz HRWSWBGGYMREET-YQQAZPJKSA-N 1 1 275.440 3.265 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2sccc2C)no1 ZINC000904720402 621956872 /nfs/dbraw/zinc/95/68/72/621956872.db2.gz DCSDRHYKEVUMGB-SNVBAGLBSA-N 1 1 263.366 3.463 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccc(F)cc2F)no1 ZINC000904725088 621958553 /nfs/dbraw/zinc/95/85/53/621958553.db2.gz VXTRYOHPJOPIPC-GFCCVEGCSA-N 1 1 279.290 3.371 20 30 CGEDMO CCCCCCCC[C@@H]([NH3+])c1nc(-c2ccncn2)no1 ZINC000904710632 621960692 /nfs/dbraw/zinc/96/06/92/621960692.db2.gz AATCXPAKEVRJQL-GFCCVEGCSA-N 1 1 289.383 3.277 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(Cc2cc(C)ccc2F)no1 ZINC000904731743 621967921 /nfs/dbraw/zinc/96/79/21/621967921.db2.gz JKABPAKCUFSZQT-CQSZACIVSA-N 1 1 289.354 3.464 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccc(C)s2)no1 ZINC000904732607 621968600 /nfs/dbraw/zinc/96/86/00/621968600.db2.gz PTAYOZJHIHCCHK-JTQLQIEISA-N 1 1 263.366 3.463 20 30 CGEDMO CCCCCCCC[N@H+]1CCC[C@H](CNC(C)=O)C1 ZINC000157657656 622918872 /nfs/dbraw/zinc/91/88/72/622918872.db2.gz YWYGMMYJGQAIME-MRXNPFEDSA-N 1 1 268.445 3.195 20 30 CGEDMO CCCC(N)=[NH+]OCc1ncc(-c2ccc(F)cc2)o1 ZINC000170938437 623116591 /nfs/dbraw/zinc/11/65/91/623116591.db2.gz VEBDDZGNLKRBHT-UHFFFAOYSA-N 1 1 277.299 3.070 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cn1cc[nH]c1=S ZINC000173308451 623319236 /nfs/dbraw/zinc/31/92/36/623319236.db2.gz CLFHEXVFHHUFCR-UHFFFAOYSA-N 1 1 286.404 3.287 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)Cn1cc[nH]c1=S ZINC000173308451 623319239 /nfs/dbraw/zinc/31/92/39/623319239.db2.gz CLFHEXVFHHUFCR-UHFFFAOYSA-N 1 1 286.404 3.287 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)C[C@@H]3CC=CCC3)CCC[C@H]12 ZINC000992121293 623440131 /nfs/dbraw/zinc/44/01/31/623440131.db2.gz TVMGXVFJMRTZPH-SOLBZPMBSA-N 1 1 288.435 3.032 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)CC3CC(C)(C)C3)CCC[C@@H]12 ZINC000992134746 623446550 /nfs/dbraw/zinc/44/65/50/623446550.db2.gz YTEZAWZEVFIURV-CRAIPNDOSA-N 1 1 290.451 3.112 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000311654634 623458404 /nfs/dbraw/zinc/45/84/04/623458404.db2.gz UWAYMALGAPMVDS-CYBMUJFWSA-N 1 1 268.282 3.251 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992164605 623458544 /nfs/dbraw/zinc/45/85/44/623458544.db2.gz YMFGVLVJDAGXAW-IIDMSEBBSA-N 1 1 290.451 3.112 20 30 CGEDMO COC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000929636795 623491310 /nfs/dbraw/zinc/49/13/10/623491310.db2.gz ZRGOVCWNXOEOHT-LBPRGKRZSA-N 1 1 278.783 3.070 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000929697794 623512263 /nfs/dbraw/zinc/51/22/63/623512263.db2.gz VFVORXMDNKQUIW-KRWDZBQOSA-N 1 1 297.446 3.093 20 30 CGEDMO C#CC[N@@H+](Cc1cc(F)ccc1C#N)C1CCCCC1 ZINC000759330909 623527037 /nfs/dbraw/zinc/52/70/37/623527037.db2.gz UXZXXWMAKQIAEJ-UHFFFAOYSA-N 1 1 270.351 3.465 20 30 CGEDMO C#CC[N@H+](Cc1cc(F)ccc1C#N)C1CCCCC1 ZINC000759330909 623527045 /nfs/dbraw/zinc/52/70/45/623527045.db2.gz UXZXXWMAKQIAEJ-UHFFFAOYSA-N 1 1 270.351 3.465 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCc1ccns1 ZINC000929757542 623578053 /nfs/dbraw/zinc/57/80/53/623578053.db2.gz SJCCUKHOAPQQPC-SJORKVTESA-N 1 1 297.427 3.457 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCc1ccns1 ZINC000929757542 623578056 /nfs/dbraw/zinc/57/80/56/623578056.db2.gz SJCCUKHOAPQQPC-SJORKVTESA-N 1 1 297.427 3.457 20 30 CGEDMO Cc1nn(C)c(C[NH2+][C@H](C)c2ccc(C#N)cc2)c1Cl ZINC000089231933 623637884 /nfs/dbraw/zinc/63/78/84/623637884.db2.gz FGVFHSMALQPXQV-SNVBAGLBSA-N 1 1 288.782 3.104 20 30 CGEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CC[C@@H]3C[C@@H]32)cc1 ZINC000761101501 623675785 /nfs/dbraw/zinc/67/57/85/623675785.db2.gz XQIGVCPBUDUGSS-OCCSQVGLSA-N 1 1 265.278 3.151 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)CC2CCCCC2)[C@H]1C ZINC000993007950 623784478 /nfs/dbraw/zinc/78/44/78/623784478.db2.gz ZVCDUQDHCIFPTE-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C[C@@H](N[NH+]=C1CC[C@H]2CNc3cccc1c32)C(F)(F)F ZINC000834998172 623846097 /nfs/dbraw/zinc/84/60/97/623846097.db2.gz CZYYEWSTHCNFSF-BDAKNGLRSA-N 1 1 283.297 3.234 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)CC2=CCCCC2)[C@H]1C ZINC000993143426 623866642 /nfs/dbraw/zinc/86/66/42/623866642.db2.gz SGGVHEOWKNSADQ-GDBMZVCRSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2oc(C)cc2C)[C@H]1C ZINC000993143027 623866765 /nfs/dbraw/zinc/86/67/65/623866765.db2.gz GILSOMFGQNFBEF-HUUCEWRRSA-N 1 1 290.407 3.055 20 30 CGEDMO CCCCCCCCNC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000754852057 623971788 /nfs/dbraw/zinc/97/17/88/623971788.db2.gz YZYMDVJSHJUHQU-JKSUJKDBSA-N 1 1 295.471 3.273 20 30 CGEDMO C=C(C)[C@H](C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000756016523 625691150 /nfs/dbraw/zinc/69/11/50/625691150.db2.gz TYMQLLJHWCKPKE-HOCLYGCPSA-N 1 1 273.376 3.159 20 30 CGEDMO C=C(C)[C@H](C)OC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000756016523 625691156 /nfs/dbraw/zinc/69/11/56/625691156.db2.gz TYMQLLJHWCKPKE-HOCLYGCPSA-N 1 1 273.376 3.159 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)cs2)[C@H]1C ZINC000993307610 624005105 /nfs/dbraw/zinc/00/51/05/624005105.db2.gz HACJVWSAZSAYBT-KGLIPLIRSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C2CC3(CCC3)C2)[C@@H]1C ZINC000993698664 624059025 /nfs/dbraw/zinc/05/90/25/624059025.db2.gz AUDBZIJDLPRBPM-HOCLYGCPSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(C)cc2)[C@@H]1C ZINC000994274041 624196837 /nfs/dbraw/zinc/19/68/37/624196837.db2.gz GUNOVKHGBHWEFO-RDJZCZTQSA-N 1 1 286.419 3.154 20 30 CGEDMO C=CC[N@@H+](CC(=O)N(c1ccccc1)C(C)C)C(C)C ZINC000917070847 624234342 /nfs/dbraw/zinc/23/43/42/624234342.db2.gz HPKQYUFYANCRAQ-UHFFFAOYSA-N 1 1 274.408 3.324 20 30 CGEDMO C=CC[N@H+](CC(=O)N(c1ccccc1)C(C)C)C(C)C ZINC000917070847 624234344 /nfs/dbraw/zinc/23/43/44/624234344.db2.gz HPKQYUFYANCRAQ-UHFFFAOYSA-N 1 1 274.408 3.324 20 30 CGEDMO C=CC[N@H+](CCC(=O)NCc1ccccc1Cl)C(C)C ZINC000917069855 624234358 /nfs/dbraw/zinc/23/43/58/624234358.db2.gz YFBDXGAZXGEKFP-UHFFFAOYSA-N 1 1 294.826 3.243 20 30 CGEDMO C[C@H](c1ccco1)[N@H+](Cc1cncc(C#N)c1)C1CC1 ZINC000930023303 624346724 /nfs/dbraw/zinc/34/67/24/624346724.db2.gz KCDHKASRMIJEAS-GFCCVEGCSA-N 1 1 267.332 3.272 20 30 CGEDMO C[C@H](c1ccco1)[N@@H+](Cc1cncc(C#N)c1)C1CC1 ZINC000930023303 624346726 /nfs/dbraw/zinc/34/67/26/624346726.db2.gz KCDHKASRMIJEAS-GFCCVEGCSA-N 1 1 267.332 3.272 20 30 CGEDMO CC[N@H+](C[C@H](C)C#N)C[C@@H](O)c1ccc2ccccc2c1 ZINC000920087381 624447037 /nfs/dbraw/zinc/44/70/37/624447037.db2.gz QCUPMALTKWJWEH-RDTXWAMCSA-N 1 1 282.387 3.355 20 30 CGEDMO CC[N@@H+](C[C@H](C)C#N)C[C@@H](O)c1ccc2ccccc2c1 ZINC000920087381 624447039 /nfs/dbraw/zinc/44/70/39/624447039.db2.gz QCUPMALTKWJWEH-RDTXWAMCSA-N 1 1 282.387 3.355 20 30 CGEDMO COc1cccc(O)c1C=Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000920175676 624454338 /nfs/dbraw/zinc/45/43/38/624454338.db2.gz ZULXDGBUSNSJKO-UHFFFAOYSA-N 1 1 282.343 3.097 20 30 CGEDMO COc1cccc(O)c1C=Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000920175676 624454342 /nfs/dbraw/zinc/45/43/42/624454342.db2.gz ZULXDGBUSNSJKO-UHFFFAOYSA-N 1 1 282.343 3.097 20 30 CGEDMO CCOc1ccc(C=Nc2ccc3c(c2)C[N@@H+](C)C3)c(O)c1 ZINC000920175023 624454446 /nfs/dbraw/zinc/45/44/46/624454446.db2.gz SLMKCZADCPFCRM-UHFFFAOYSA-N 1 1 296.370 3.487 20 30 CGEDMO CCOc1ccc(C=Nc2ccc3c(c2)C[N@H+](C)C3)c(O)c1 ZINC000920175023 624454457 /nfs/dbraw/zinc/45/44/57/624454457.db2.gz SLMKCZADCPFCRM-UHFFFAOYSA-N 1 1 296.370 3.487 20 30 CGEDMO C#CCOc1ccccc1C[N@H+](C)Cc1ccc(C)o1 ZINC000179618643 624672624 /nfs/dbraw/zinc/67/26/24/624672624.db2.gz PWGJZDJJNBUUBQ-UHFFFAOYSA-N 1 1 269.344 3.232 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+](C)Cc1ccc(C)o1 ZINC000179618643 624672625 /nfs/dbraw/zinc/67/26/25/624672625.db2.gz PWGJZDJJNBUUBQ-UHFFFAOYSA-N 1 1 269.344 3.232 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](N(CC)C(=O)C2CCC2)CC1 ZINC000997898705 625763666 /nfs/dbraw/zinc/76/36/66/625763666.db2.gz IWJHBBAVVVWKET-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(CC)C(=O)c2ccoc2)CC1 ZINC000997913011 625767641 /nfs/dbraw/zinc/76/76/41/625767641.db2.gz JBYLESNXQSXWBX-MRXNPFEDSA-N 1 1 290.407 3.172 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCCC[C@@H]2C)CC1 ZINC001001100521 625889894 /nfs/dbraw/zinc/88/98/94/625889894.db2.gz OTKQQHNJVWKZPE-RDJZCZTQSA-N 1 1 290.451 3.137 20 30 CGEDMO CC[C@H]([NH2+]Cc1csc(C#N)c1)c1c(C)noc1C ZINC000921934942 625934325 /nfs/dbraw/zinc/93/43/25/625934325.db2.gz IDMFIOCJGUDKDK-ZDUSSCGKSA-N 1 1 275.377 3.466 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(C)nnc1C ZINC000929268610 625976074 /nfs/dbraw/zinc/97/60/74/625976074.db2.gz FXIWTBHBWCSMBN-UHFFFAOYSA-N 1 1 294.402 3.377 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000922164611 625977571 /nfs/dbraw/zinc/97/75/71/625977571.db2.gz NFWAJYFNJXRKBQ-CJNGLKHVSA-N 1 1 280.375 3.167 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC)CC1 ZINC001004305188 626031677 /nfs/dbraw/zinc/03/16/77/626031677.db2.gz YTPHUOALIUMQDU-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C=C(C)C)CC1 ZINC001004331997 626038361 /nfs/dbraw/zinc/03/83/61/626038361.db2.gz PCORCAVVEONHRD-QGZVFWFLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC)CC1 ZINC001004540519 626064670 /nfs/dbraw/zinc/06/46/70/626064670.db2.gz RJKWNKLBJCMKIP-WMZOPIPTSA-N 1 1 292.467 3.312 20 30 CGEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(N)nc1 ZINC000929397852 626163317 /nfs/dbraw/zinc/16/33/17/626163317.db2.gz QDWWYUJCMSHJHD-UHFFFAOYSA-N 1 1 294.402 3.194 20 30 CGEDMO COc1ccc(NN=Cc2[nH+]c(C)n3ccccc23)cc1 ZINC000750923068 626368927 /nfs/dbraw/zinc/36/89/27/626368927.db2.gz CFOLJGWERPKCMA-UHFFFAOYSA-N 1 1 280.331 3.097 20 30 CGEDMO C#CCOc1ccc(CNc2[nH+]cccc2CC)cc1 ZINC000752098789 626419155 /nfs/dbraw/zinc/41/91/55/626419155.db2.gz BSPMIYXXOKQUDA-UHFFFAOYSA-N 1 1 266.344 3.268 20 30 CGEDMO C#CCC[N@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000752858620 626441001 /nfs/dbraw/zinc/44/10/01/626441001.db2.gz WOHNRHXZIQOYTJ-RDJZCZTQSA-N 1 1 257.377 3.089 20 30 CGEDMO C#CCC[N@@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000752858620 626441003 /nfs/dbraw/zinc/44/10/03/626441003.db2.gz WOHNRHXZIQOYTJ-RDJZCZTQSA-N 1 1 257.377 3.089 20 30 CGEDMO C#CC[N@H+](CC[C@@H]1CCCCO1)Cc1ccc(F)cc1 ZINC000754018088 626472287 /nfs/dbraw/zinc/47/22/87/626472287.db2.gz FXKYXZJICFGINL-KRWDZBQOSA-N 1 1 275.367 3.220 20 30 CGEDMO CC(C)[N@@H+]1CC(N=Nc2nccc3sccc32)[C@@H](C)C1 ZINC000754259808 626565161 /nfs/dbraw/zinc/56/51/61/626565161.db2.gz UIYIEAJBCWRKHC-NSHDSACASA-N 1 1 288.420 3.424 20 30 CGEDMO C[C@H]1CC(=NOc2ccccc2C(F)(F)F)C[N@@H+]1C ZINC000754712877 626583887 /nfs/dbraw/zinc/58/38/87/626583887.db2.gz WKKHYINUAVIANF-VIFPVBQESA-N 1 1 272.270 3.164 20 30 CGEDMO C[C@H]1CC(=NOc2ccccc2C(F)(F)F)C[N@H+]1C ZINC000754712877 626583889 /nfs/dbraw/zinc/58/38/89/626583889.db2.gz WKKHYINUAVIANF-VIFPVBQESA-N 1 1 272.270 3.164 20 30 CGEDMO CCCCCCCCNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000755075555 626599485 /nfs/dbraw/zinc/59/94/85/626599485.db2.gz NZVUULNWIGTEQO-CVEARBPZSA-N 1 1 297.487 3.329 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc(-n2cccn2)cc1 ZINC000755670091 626635472 /nfs/dbraw/zinc/63/54/72/626635472.db2.gz LUSGXVHMUCQRGQ-UHFFFAOYSA-N 1 1 282.391 3.244 20 30 CGEDMO C[C@H]1CC(=NO[C@@H]2CCCCO2)C[N@@H+]1Cc1ccccc1 ZINC000755822716 626651155 /nfs/dbraw/zinc/65/11/55/626651155.db2.gz IGPJBRIXVJPXNT-WMLDXEAASA-N 1 1 288.391 3.180 20 30 CGEDMO C[C@H]1CC(=NO[C@@H]2CCCCO2)C[N@H+]1Cc1ccccc1 ZINC000755822716 626651158 /nfs/dbraw/zinc/65/11/58/626651158.db2.gz IGPJBRIXVJPXNT-WMLDXEAASA-N 1 1 288.391 3.180 20 30 CGEDMO C[C@H]1C[N@@H+](C2CC2)CC1N=Nc1nc2ccccc2s1 ZINC000755872290 626655264 /nfs/dbraw/zinc/65/52/64/626655264.db2.gz BCCSYIIESVEWEL-JTQLQIEISA-N 1 1 286.404 3.178 20 30 CGEDMO C[C@H]1C[N@H+](C2CC2)CC1N=Nc1nc2ccccc2s1 ZINC000755872290 626655265 /nfs/dbraw/zinc/65/52/65/626655265.db2.gz BCCSYIIESVEWEL-JTQLQIEISA-N 1 1 286.404 3.178 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1ccc2sccc2c1 ZINC000756553837 626714758 /nfs/dbraw/zinc/71/47/58/626714758.db2.gz NYLPWGQRSNMFJS-OAHLLOKOSA-N 1 1 299.395 3.156 20 30 CGEDMO C#CC[C@@H](Nc1[nH+]cnc2[nH]ccc21)c1ccccc1 ZINC000756957667 626743506 /nfs/dbraw/zinc/74/35/06/626743506.db2.gz YXCIBXYTYISUCR-CQSZACIVSA-N 1 1 262.316 3.134 20 30 CGEDMO C#CCCC[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000839652847 626769972 /nfs/dbraw/zinc/76/99/72/626769972.db2.gz RDXXCNVYUOXVNH-QGZVFWFLSA-N 1 1 269.388 3.254 20 30 CGEDMO CC(=[NH+]Nc1cccc(C#N)c1)c1ccc(N)cc1C ZINC000758098105 626827118 /nfs/dbraw/zinc/82/71/18/626827118.db2.gz OIVZAVULFXKBPH-UHFFFAOYSA-N 1 1 264.332 3.285 20 30 CGEDMO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCCSCC1 ZINC000761008486 627008330 /nfs/dbraw/zinc/00/83/30/627008330.db2.gz UMQYGORDCKBKAL-UHFFFAOYSA-N 1 1 296.823 3.181 20 30 CGEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CCCSCC1 ZINC000761008486 627008333 /nfs/dbraw/zinc/00/83/33/627008333.db2.gz UMQYGORDCKBKAL-UHFFFAOYSA-N 1 1 296.823 3.181 20 30 CGEDMO C=CCCCCCCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000805218906 627011126 /nfs/dbraw/zinc/01/11/26/627011126.db2.gz ORXRUCILNCVEAL-OAHLLOKOSA-N 1 1 266.429 3.114 20 30 CGEDMO Fc1ccc(C#CC[N@@H+]2CC[C@@H](C(F)(F)F)C2)cc1 ZINC000761049570 627011186 /nfs/dbraw/zinc/01/11/86/627011186.db2.gz QXLNFYHNBOUYTA-GFCCVEGCSA-N 1 1 271.257 3.061 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CC[C@@H](C(F)(F)F)C2)cc1 ZINC000761049570 627011187 /nfs/dbraw/zinc/01/11/87/627011187.db2.gz QXLNFYHNBOUYTA-GFCCVEGCSA-N 1 1 271.257 3.061 20 30 CGEDMO CCCCCCCC[N@@H+]1CCn2c(nnc2C(F)F)C1 ZINC000761109417 627017049 /nfs/dbraw/zinc/01/70/49/627017049.db2.gz GVDDWVJOEQGTPN-UHFFFAOYSA-N 1 1 286.370 3.392 20 30 CGEDMO CCCCCCCC[N@H+]1CCn2c(nnc2C(F)F)C1 ZINC000761109417 627017051 /nfs/dbraw/zinc/01/70/51/627017051.db2.gz GVDDWVJOEQGTPN-UHFFFAOYSA-N 1 1 286.370 3.392 20 30 CGEDMO C=CC[N@@H+](CC1CCCCC1)CN1C[C@H](C2CC2)CC1=O ZINC000762498589 627113914 /nfs/dbraw/zinc/11/39/14/627113914.db2.gz YGZJLPLHPLSNMM-QGZVFWFLSA-N 1 1 290.451 3.271 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@H+]2CC[C@@H](C3CC3)C2)c1O ZINC000763336227 627152565 /nfs/dbraw/zinc/15/25/65/627152565.db2.gz ZUPODKNTHHKAQW-OAHLLOKOSA-N 1 1 287.403 3.361 20 30 CGEDMO N#Cc1ccc([C@@H](O)C[N@@H+](C2CC2)C2CCCCC2)cc1 ZINC000763397500 627155854 /nfs/dbraw/zinc/15/58/54/627155854.db2.gz SDXRWQDUBWEPRH-SFHVURJKSA-N 1 1 284.403 3.389 20 30 CGEDMO Cc1ccc(C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C2CC2)o1 ZINC000763396009 627155951 /nfs/dbraw/zinc/15/59/51/627155951.db2.gz NVOUVUCHVNFANM-GOSISDBHSA-N 1 1 296.370 3.158 20 30 CGEDMO C[C@H]1c2ccccc2C[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000763411798 627157016 /nfs/dbraw/zinc/15/70/16/627157016.db2.gz BSGYQRVTSYMLCB-UGSOOPFHSA-N 1 1 278.355 3.168 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)OCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000835599117 634553176 /nfs/dbraw/zinc/55/31/76/634553176.db2.gz ABDHYIBBWIXIAM-FFHGMXDLSA-N 1 1 265.397 3.005 20 30 CGEDMO C#CC[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000764683090 627218120 /nfs/dbraw/zinc/21/81/20/627218120.db2.gz OVWXPGCZTMZFHT-UHFFFAOYSA-N 1 1 296.326 3.452 20 30 CGEDMO CC(C)[C@@H]1CC(=NNc2cc[nH+]cc2)c2ccccc21 ZINC000766455964 627333323 /nfs/dbraw/zinc/33/33/23/627333323.db2.gz VVKARTVVICMLFD-INIZCTEOSA-N 1 1 265.360 3.463 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cn1nccc1-c1ccc(F)c(Cl)c1 ZINC000766664757 627351676 /nfs/dbraw/zinc/35/16/76/627351676.db2.gz UXDSGWQUJFBPRN-NSHDSACASA-N 1 1 291.757 3.254 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cn1nccc1-c1ccc(F)c(Cl)c1 ZINC000766664757 627351678 /nfs/dbraw/zinc/35/16/78/627351678.db2.gz UXDSGWQUJFBPRN-NSHDSACASA-N 1 1 291.757 3.254 20 30 CGEDMO C#CCCC[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000766905515 627369401 /nfs/dbraw/zinc/36/94/01/627369401.db2.gz HFWYCHOIMUIYCH-AWEZNQCLSA-N 1 1 268.360 3.421 20 30 CGEDMO C#CCCC[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000766902654 627369612 /nfs/dbraw/zinc/36/96/12/627369612.db2.gz MMYCGFAXIXUWKL-FQEVSTJZSA-N 1 1 296.458 3.388 20 30 CGEDMO C#CCCC[N@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000766902654 627369616 /nfs/dbraw/zinc/36/96/16/627369616.db2.gz MMYCGFAXIXUWKL-FQEVSTJZSA-N 1 1 296.458 3.388 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)OCC[C@@H]1CCCC[N@H+]1C ZINC000767697783 627430588 /nfs/dbraw/zinc/43/05/88/627430588.db2.gz WMPQNZWVBIDNIS-KGLIPLIRSA-N 1 1 253.386 3.006 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccc(OCCCC)c(OC)c1 ZINC000769110266 627523136 /nfs/dbraw/zinc/52/31/36/627523136.db2.gz BWYGYARPJNFUIG-UHFFFAOYSA-N 1 1 275.392 3.329 20 30 CGEDMO C#CCCOc1ccc(C[N@H+](C[C@H](C)OC)C(C)C)cc1 ZINC000769471752 627557292 /nfs/dbraw/zinc/55/72/92/627557292.db2.gz CXUZOCIISLWTHG-INIZCTEOSA-N 1 1 289.419 3.334 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C1CCCC1 ZINC000769529840 627562870 /nfs/dbraw/zinc/56/28/70/627562870.db2.gz GAZGFRNLIFSOOH-UHFFFAOYSA-N 1 1 272.348 3.281 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CCC[C@H]3COCC[C@H]32)cc1 ZINC000770287087 627611728 /nfs/dbraw/zinc/61/17/28/627611728.db2.gz VMVPUFSVKPFXBC-PKOBYXMFSA-N 1 1 299.414 3.090 20 30 CGEDMO C=C(CC)C[N@H+]1CCCN(c2ccc(C)cc2)CC1 ZINC000773421218 627882667 /nfs/dbraw/zinc/88/26/67/627882667.db2.gz NKKSZSWKQUCCGS-UHFFFAOYSA-N 1 1 258.409 3.473 20 30 CGEDMO CC(=NOC1CCOCC1)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000774456306 627992583 /nfs/dbraw/zinc/99/25/83/627992583.db2.gz CKSCUNXWXXUACI-UHFFFAOYSA-N 1 1 299.374 3.100 20 30 CGEDMO CCOCCC[N@H+]1CCC(=NNCC(CC)CC)[C@@H](C)C1 ZINC000774465198 627993965 /nfs/dbraw/zinc/99/39/65/627993965.db2.gz UDAMMGFAVPQCHG-HNNXBMFYSA-N 1 1 297.487 3.137 20 30 CGEDMO C#CC[N@@H+](C[C@H]1CCC=CO1)[C@@H]1CCc2ccccc21 ZINC000774816330 628034214 /nfs/dbraw/zinc/03/42/14/628034214.db2.gz ZNZSAZZIAXEZER-SJLPKXTDSA-N 1 1 267.372 3.302 20 30 CGEDMO Cc1nn(C)c(Cl)c1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000775335209 628084031 /nfs/dbraw/zinc/08/40/31/628084031.db2.gz FWHZLIZNVWXJNE-SNVBAGLBSA-N 1 1 288.782 3.104 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1ccc(-c2ccccc2)o1)[C@H]1CCCO1 ZINC000775342380 628084603 /nfs/dbraw/zinc/08/46/03/628084603.db2.gz QSCGJKFJHFOCEJ-SJLPKXTDSA-N 1 1 281.355 3.217 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000775673506 628124068 /nfs/dbraw/zinc/12/40/68/628124068.db2.gz KGHAFWFPCBSDIW-QGZVFWFLSA-N 1 1 294.439 3.286 20 30 CGEDMO CCC[C@H](C)C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000775744439 628132062 /nfs/dbraw/zinc/13/20/62/628132062.db2.gz LLHMNYWORDGKHL-YOEHRIQHSA-N 1 1 272.392 3.368 20 30 CGEDMO CC(C)[C@@H]1CC[N@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000775765884 628134067 /nfs/dbraw/zinc/13/40/67/628134067.db2.gz UTVKORBULOQHHZ-CJNGLKHVSA-N 1 1 258.365 3.208 20 30 CGEDMO C#CC[N@H+](CC)Cc1cc(-c2ccncc2)ccc1OC ZINC000775908629 628147438 /nfs/dbraw/zinc/14/74/38/628147438.db2.gz MWCJEYBPRWBQSO-UHFFFAOYSA-N 1 1 280.371 3.212 20 30 CGEDMO C=C[C@H](CC)OC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000776104402 628167707 /nfs/dbraw/zinc/16/77/07/628167707.db2.gz OPJMFNLFJWWVAK-HZPDHXFCSA-N 1 1 273.376 3.159 20 30 CGEDMO C=C[C@H](CC)OC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000776104402 628167709 /nfs/dbraw/zinc/16/77/09/628167709.db2.gz OPJMFNLFJWWVAK-HZPDHXFCSA-N 1 1 273.376 3.159 20 30 CGEDMO Cc1cc(C)cc(N[NH+]=Cc2cnccc2N(C)C)c1 ZINC000776184989 628177616 /nfs/dbraw/zinc/17/76/16/628177616.db2.gz DCCRAKCQHAFOAE-UHFFFAOYSA-N 1 1 268.364 3.210 20 30 CGEDMO C[C@@H]1CC(N=Nc2ccccc2OC(F)(F)F)C[N@H+]1C ZINC000777453849 628272056 /nfs/dbraw/zinc/27/20/56/628272056.db2.gz TVQANCZCSPHSCE-SECBINFHSA-N 1 1 287.285 3.077 20 30 CGEDMO CC(=[NH+]OCCC(F)(F)F)c1ccc(N)cc1C ZINC000777459562 628273023 /nfs/dbraw/zinc/27/30/23/628273023.db2.gz SDNQQKOWCDVGDL-UHFFFAOYSA-N 1 1 260.259 3.270 20 30 CGEDMO COc1ccc2nc(N=NC3C[C@H](C)[N@@H+](C)C3)c(C)cc2c1 ZINC000777910528 628310499 /nfs/dbraw/zinc/31/04/99/628310499.db2.gz CYMBRCHXOUNDTO-LBPRGKRZSA-N 1 1 298.390 3.044 20 30 CGEDMO C=CCc1cc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)c(O)c(OC)c1 ZINC000777966335 628316899 /nfs/dbraw/zinc/31/68/99/628316899.db2.gz GGXAAYAFAIRJAP-IUODEOHRSA-N 1 1 293.382 3.309 20 30 CGEDMO C#CC[N@H+](C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCc2ccccc21 ZINC000778984201 628380793 /nfs/dbraw/zinc/38/07/93/628380793.db2.gz AYPNWHXROQOZKZ-GPMSIDNRSA-N 1 1 283.415 3.424 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000779145357 628390176 /nfs/dbraw/zinc/39/01/76/628390176.db2.gz TVZIEXDLXKLXBH-UHFFFAOYSA-N 1 1 291.395 3.437 20 30 CGEDMO CC(=NNc1cc[nH+]cc1)c1cc(C)ccc1OC(F)F ZINC000779808579 628433483 /nfs/dbraw/zinc/43/34/83/628433483.db2.gz MICFJKNYWSVMRD-UHFFFAOYSA-N 1 1 291.301 3.249 20 30 CGEDMO c1cnc(C(CC2CCCCC2)=NNc2cc[nH+]cc2)nc1 ZINC000779810855 628433872 /nfs/dbraw/zinc/43/38/72/628433872.db2.gz KCFDXMHUQCQUAB-UHFFFAOYSA-N 1 1 295.390 3.080 20 30 CGEDMO Cc1cc(C=NNc2cc[nH+]cc2)ccc1Br ZINC000779810921 628433927 /nfs/dbraw/zinc/43/39/27/628433927.db2.gz AQUAKMVBTWIDPM-UHFFFAOYSA-N 1 1 290.164 3.020 20 30 CGEDMO C(=NNc1cc[nH+]cc1)c1ccccc1OC1CCCC1 ZINC000779810839 628434078 /nfs/dbraw/zinc/43/40/78/628434078.db2.gz JKOGITNUDQTSLF-UHFFFAOYSA-N 1 1 281.359 3.271 20 30 CGEDMO C#CCCCCCC(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000780354323 628484385 /nfs/dbraw/zinc/48/43/85/628484385.db2.gz PYWQHQWCQRDPOM-GOSISDBHSA-N 1 1 299.414 3.388 20 30 CGEDMO N#CCC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000781927970 628606288 /nfs/dbraw/zinc/60/62/88/628606288.db2.gz SRZZKGCRWNDKCS-UHFFFAOYSA-N 1 1 293.754 3.374 20 30 CGEDMO Cc1ccc(N(C)[C@H]2CCC[N@@H+](CC3(C#N)CC3)C2)cc1 ZINC000784376503 628810778 /nfs/dbraw/zinc/81/07/78/628810778.db2.gz ADWGMBGZALKHRI-KRWDZBQOSA-N 1 1 283.419 3.199 20 30 CGEDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000784511945 628817947 /nfs/dbraw/zinc/81/79/47/628817947.db2.gz QJWCTULZDHPCFM-OAHLLOKOSA-N 1 1 272.392 3.457 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)OCC[C@H]1CCCC[N@H+]1C ZINC000785770865 628887544 /nfs/dbraw/zinc/88/75/44/628887544.db2.gz YSDLUWVQJXMUGX-HIFRSBDPSA-N 1 1 253.386 3.006 20 30 CGEDMO C#CCC[N@H+](C)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000805791408 628902173 /nfs/dbraw/zinc/90/21/73/628902173.db2.gz MDWUYKSALHVTHB-HZPDHXFCSA-N 1 1 257.377 3.188 20 30 CGEDMO C#CCCC[N@H+](C)[C@@H](COC)c1ccc(Cl)cc1 ZINC000786179065 628917525 /nfs/dbraw/zinc/91/75/25/628917525.db2.gz WALJTNQAOBPPAV-HNNXBMFYSA-N 1 1 265.784 3.373 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)Nc1ccc2ccccc2c1 ZINC000786447288 628934228 /nfs/dbraw/zinc/93/42/28/628934228.db2.gz VNCGEBURSXBGDM-UHFFFAOYSA-N 1 1 268.360 3.286 20 30 CGEDMO CC(C)(C#N)CCCOC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000786881082 628968110 /nfs/dbraw/zinc/96/81/10/628968110.db2.gz SCFFDINEBIVJLR-HNNXBMFYSA-N 1 1 292.423 3.267 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cccc(OCC)c1O ZINC000787311309 629007730 /nfs/dbraw/zinc/00/77/30/629007730.db2.gz VEMBPZKCDAGLOK-CQSZACIVSA-N 1 1 261.365 3.331 20 30 CGEDMO Cc1ccc(N(CCC#N)C(=O)C[NH+]2[C@@H](C)C[C@@H]2C)cc1C ZINC000791567144 629289078 /nfs/dbraw/zinc/28/90/78/629289078.db2.gz SFZXJRMQGMUCRV-HOTGVXAUSA-N 1 1 299.418 3.033 20 30 CGEDMO CCCCCCCNC(=O)CCCn1cc[nH+]c1C ZINC000862359025 629350568 /nfs/dbraw/zinc/35/05/68/629350568.db2.gz DDLQLVSRINGOJN-UHFFFAOYSA-N 1 1 265.401 3.058 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(OCC=C)c(OC)c2)C1 ZINC000862443363 629376751 /nfs/dbraw/zinc/37/67/51/629376751.db2.gz OTAJOKOIUKIZFJ-OAHLLOKOSA-N 1 1 285.387 3.105 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC000862483276 629386223 /nfs/dbraw/zinc/38/62/23/629386223.db2.gz RVZONFMWVOFHKS-SFHVURJKSA-N 1 1 286.419 3.300 20 30 CGEDMO C[C@H]1CC(N=Nc2ccnc(C(F)(F)F)c2)C[N@H+]1C1CC1 ZINC000863181992 629490660 /nfs/dbraw/zinc/49/06/60/629490660.db2.gz VKVDESOPESCZPT-VIFPVBQESA-N 1 1 298.312 3.125 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000863587573 629611871 /nfs/dbraw/zinc/61/18/71/629611871.db2.gz PRPJKVPOEJNSGC-IAQYHMDHSA-N 1 1 273.767 3.360 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000796334171 629767669 /nfs/dbraw/zinc/76/76/69/629767669.db2.gz NQGHVBCENJQSHU-QWHCGFSZSA-N 1 1 281.362 3.450 20 30 CGEDMO C[C@H](CC#N)NN=C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000797786274 629982292 /nfs/dbraw/zinc/98/22/92/629982292.db2.gz OGFJWNDIWPDGGC-NNJIEVJOSA-N 1 1 298.434 3.309 20 30 CGEDMO CC1=CCC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000797996729 630013186 /nfs/dbraw/zinc/01/31/86/630013186.db2.gz MPGCSPGCHTWIOV-UHFFFAOYSA-N 1 1 276.767 3.394 20 30 CGEDMO CC1=CCC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000797996729 630013188 /nfs/dbraw/zinc/01/31/88/630013188.db2.gz MPGCSPGCHTWIOV-UHFFFAOYSA-N 1 1 276.767 3.394 20 30 CGEDMO Cc1nn(C(C)C)cc1C[NH2+]Cc1cc(C#N)ccc1F ZINC000798492913 630060206 /nfs/dbraw/zinc/06/02/06/630060206.db2.gz IYGJWKZFPYJACW-UHFFFAOYSA-N 1 1 286.354 3.073 20 30 CGEDMO C=CCn1c(C)cc(C(=O)Cn2cc(C)[nH+]c2CC)c1C ZINC000865392789 630096379 /nfs/dbraw/zinc/09/63/79/630096379.db2.gz JTYWXVDCCJTUEF-UHFFFAOYSA-N 1 1 285.391 3.241 20 30 CGEDMO N#Cc1ccc(F)c(C[NH2+][C@H]2CCCc3cccnc32)c1 ZINC000798930102 630125712 /nfs/dbraw/zinc/12/57/12/630125712.db2.gz JMOSKDRCILJCFW-INIZCTEOSA-N 1 1 281.334 3.260 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799191833 630155926 /nfs/dbraw/zinc/15/59/26/630155926.db2.gz TVYLCDXJGBTGHS-CQSZACIVSA-N 1 1 257.381 3.201 20 30 CGEDMO C=CC[C@H]1[N@H+](C[C@@H](O)c2ccc(F)cn2)CCCC1(C)C ZINC000799324615 630167440 /nfs/dbraw/zinc/16/74/40/630167440.db2.gz VKWMETXEAZTWJR-HZPDHXFCSA-N 1 1 292.398 3.321 20 30 CGEDMO C#CCCC[N@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000799330551 630167861 /nfs/dbraw/zinc/16/78/61/630167861.db2.gz PINVUYDWQLYJCM-VYDXJSESSA-N 1 1 261.409 3.069 20 30 CGEDMO Cc1c(Cl)cccc1N[NH2+]C1=CC(=O)N2CCCC[C@H]12 ZINC000799475452 630185825 /nfs/dbraw/zinc/18/58/25/630185825.db2.gz BVAGFKAZGOBKBN-CQSZACIVSA-N 1 1 291.782 3.201 20 30 CGEDMO C#CCCC[N@@H+]1CC[C@](F)(c2cc(C)cc(F)c2)C1 ZINC000800475908 630283743 /nfs/dbraw/zinc/28/37/43/630283743.db2.gz XNENCPCBBOKXLI-MRXNPFEDSA-N 1 1 263.331 3.418 20 30 CGEDMO CCOc1ccc([C@H]2CCC[N@H+]2CCO[C@@H](C)C#N)cc1 ZINC000801909948 630363802 /nfs/dbraw/zinc/36/38/02/630363802.db2.gz ISVMRBGNQFONAC-WMLDXEAASA-N 1 1 288.391 3.151 20 30 CGEDMO Cc1ccc(C2=CC[N@@H+](CCO[C@H](C)C#N)CC2)cc1 ZINC000801910977 630364244 /nfs/dbraw/zinc/36/42/44/630364244.db2.gz RBWLUVAWJINEJP-OAHLLOKOSA-N 1 1 270.376 3.013 20 30 CGEDMO Cc1ccc([C@@H](C)[N@H+](C)CCO[C@H](C)C#N)c(C)c1 ZINC000801912939 630364680 /nfs/dbraw/zinc/36/46/80/630364680.db2.gz JHLWLTWMITWSOH-HUUCEWRRSA-N 1 1 260.381 3.225 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000801912996 630364758 /nfs/dbraw/zinc/36/47/58/630364758.db2.gz LEEYVABEDPFBQF-NSHDSACASA-N 1 1 286.297 3.066 20 30 CGEDMO CC[N@@H+](CCO[C@H](C)C#N)Cc1ccc(Cl)cc1 ZINC000801913841 630365243 /nfs/dbraw/zinc/36/52/43/630365243.db2.gz ODQIJZSZRZQHLW-GFCCVEGCSA-N 1 1 266.772 3.091 20 30 CGEDMO CCC[N@@H+](CCO[C@@H](C)C#N)[C@@H](C)c1ccccc1OC ZINC000801913246 630365298 /nfs/dbraw/zinc/36/52/98/630365298.db2.gz BQIDCLDURRZLHG-GJZGRUSLSA-N 1 1 290.407 3.397 20 30 CGEDMO Cc1ccc([C@@H]2CCCCC[N@@H+]2CCO[C@@H](C)C#N)o1 ZINC000801922741 630367083 /nfs/dbraw/zinc/36/70/83/630367083.db2.gz OBXACBJVFGCJHG-GJZGRUSLSA-N 1 1 276.380 3.434 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000801929382 630368802 /nfs/dbraw/zinc/36/88/02/630368802.db2.gz LSDZGQBJEAGXBP-WMZOPIPTSA-N 1 1 286.419 3.402 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000801930256 630369166 /nfs/dbraw/zinc/36/91/66/630369166.db2.gz KPPJUEKSKRHFFI-KDOFPFPSSA-N 1 1 284.403 3.457 20 30 CGEDMO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CCO[C@@H](C)C#N ZINC000801935754 630370067 /nfs/dbraw/zinc/37/00/67/630370067.db2.gz DFWMVMQQJXQZHZ-AAEUAGOBSA-N 1 1 295.452 3.496 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CC[C@@H](C)C2(CCCCC2)C1 ZINC000801941198 630371908 /nfs/dbraw/zinc/37/19/08/630371908.db2.gz JXLYOYURNLASLL-HUUCEWRRSA-N 1 1 264.413 3.207 20 30 CGEDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)Nc1nc(Cl)c(C#N)s1 ZINC000804372583 630523692 /nfs/dbraw/zinc/52/36/92/630523692.db2.gz OXSAQMJODUGYQN-ZJUUUORDSA-N 1 1 298.843 3.200 20 30 CGEDMO C=CC(C)(C)CCCNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000876321434 634816572 /nfs/dbraw/zinc/81/65/72/634816572.db2.gz OPMYGZSSDFIZJG-LSDHHAIUSA-N 1 1 295.471 3.103 20 30 CGEDMO C#CC[N@@H+](Cc1cncc(OC)c1)[C@H]1CCc2ccccc21 ZINC000808711532 630668894 /nfs/dbraw/zinc/66/88/94/630668894.db2.gz JHNJIBGPPWHLAN-IBGZPJMESA-N 1 1 292.382 3.213 20 30 CGEDMO C#CC[N@H+](Cc1cncc(OC)c1)[C@H]1CCc2ccccc21 ZINC000808711532 630668896 /nfs/dbraw/zinc/66/88/96/630668896.db2.gz JHNJIBGPPWHLAN-IBGZPJMESA-N 1 1 292.382 3.213 20 30 CGEDMO C[N@H+](Cc1ccccc1-c1ccccc1)C[C@H](O)CC#N ZINC000809573555 630752176 /nfs/dbraw/zinc/75/21/76/630752176.db2.gz PZEFFDDPQCFITG-QGZVFWFLSA-N 1 1 280.371 3.060 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)cc1 ZINC000809639457 630772199 /nfs/dbraw/zinc/77/21/99/630772199.db2.gz VFZFELDXWJGNNT-IBGZPJMESA-N 1 1 295.357 3.460 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)cc1 ZINC000809656986 630777199 /nfs/dbraw/zinc/77/71/99/630777199.db2.gz QRYTVCKYMXNTNR-RISCZKNCSA-N 1 1 267.294 3.441 20 30 CGEDMO C#C[C@@H]([NH2+][C@@H](CC)COC)c1ccc(Cl)cc1F ZINC000809699702 630785311 /nfs/dbraw/zinc/78/53/11/630785311.db2.gz SDAHNALHXNXDHV-SMDDNHRTSA-N 1 1 269.747 3.168 20 30 CGEDMO C#C[C@@H]([NH2+][C@@H](C)COCC)c1ccc(Cl)cc1F ZINC000809698217 630785552 /nfs/dbraw/zinc/78/55/52/630785552.db2.gz BWKULCJKYYNNNW-IINYFYTJSA-N 1 1 269.747 3.168 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](C)O)cc1 ZINC000809701328 630785901 /nfs/dbraw/zinc/78/59/01/630785901.db2.gz XBSFQTJHOFASOP-CRAIPNDOSA-N 1 1 271.404 3.183 20 30 CGEDMO C#CC[C@@H]([NH2+]Cc1oc(C)nc1C)c1ccccc1 ZINC000809972085 630822374 /nfs/dbraw/zinc/82/23/74/630822374.db2.gz QQLPNPDALGNLPU-OAHLLOKOSA-N 1 1 254.333 3.146 20 30 CGEDMO C=CC[C@H]1N(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1(C)C ZINC000811461691 631068107 /nfs/dbraw/zinc/06/81/07/631068107.db2.gz PKADMPGGRGZLKB-HRCADAONSA-N 1 1 292.467 3.310 20 30 CGEDMO C#CC[N@H+](C[C@H](CC(C)C)NC(=O)OC(C)(C)C)C1CC1 ZINC000811490026 631074797 /nfs/dbraw/zinc/07/47/97/631074797.db2.gz KMPWSWBQBPBMHH-AWEZNQCLSA-N 1 1 294.439 3.023 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CC(C)(C)[C@H]2C2CC2)cc1 ZINC000811513896 631082122 /nfs/dbraw/zinc/08/21/22/631082122.db2.gz UZUXABWWJCVDGV-QGZVFWFLSA-N 1 1 269.388 3.319 20 30 CGEDMO Fc1ccc(C(C[C@H]2CCCO2)=NNc2cc[nH+]cc2)cc1 ZINC000811647681 631096397 /nfs/dbraw/zinc/09/63/97/631096397.db2.gz WNDZFYYVYNFYRW-MRXNPFEDSA-N 1 1 299.349 3.028 20 30 CGEDMO Cl/C=C/CON=C1CC[N@H+](Cc2ccccc2)C1 ZINC000811670002 631108307 /nfs/dbraw/zinc/10/83/07/631108307.db2.gz MCLGXNQMTDZFPZ-BCBJRAACSA-N 1 1 264.756 3.017 20 30 CGEDMO Cl/C=C/CON=C1CC[N@@H+](Cc2ccccc2)C1 ZINC000811670002 631108310 /nfs/dbraw/zinc/10/83/10/631108310.db2.gz MCLGXNQMTDZFPZ-BCBJRAACSA-N 1 1 264.756 3.017 20 30 CGEDMO C=CCC[N@H+](C)CN1C[C@@H](c2cccc(Cl)c2)CC1=O ZINC000812287859 631235882 /nfs/dbraw/zinc/23/58/82/631235882.db2.gz NRTWDXKPVUSLGC-AWEZNQCLSA-N 1 1 292.810 3.121 20 30 CGEDMO CCc1nc(C)c(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)o1 ZINC000813797620 631462196 /nfs/dbraw/zinc/46/21/96/631462196.db2.gz OKHJIWKXDOVPNF-GFCCVEGCSA-N 1 1 299.374 3.126 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CC1=NOCC1CC1 ZINC000814243539 631557688 /nfs/dbraw/zinc/55/76/88/631557688.db2.gz BKVNOCOGCYHXLH-CQSZACIVSA-N 1 1 272.392 3.311 20 30 CGEDMO C=C(C)CNN=C1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000814932557 631687753 /nfs/dbraw/zinc/68/77/53/631687753.db2.gz JGHOXUUBYYELRR-OAHLLOKOSA-N 1 1 271.408 3.193 20 30 CGEDMO C=C(C)CNN=C1CCC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000814932557 631687754 /nfs/dbraw/zinc/68/77/54/631687754.db2.gz JGHOXUUBYYELRR-OAHLLOKOSA-N 1 1 271.408 3.193 20 30 CGEDMO C[C@H](N[NH+]=C1CC(C)(C)Cc2nc(N)sc21)C(C)(C)C ZINC000814937536 631691737 /nfs/dbraw/zinc/69/17/37/631691737.db2.gz KBWFHTJEQXFJCT-VIFPVBQESA-N 1 1 294.468 3.426 20 30 CGEDMO C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](CCOCCC#N)C1 ZINC000815054503 631707304 /nfs/dbraw/zinc/70/73/04/631707304.db2.gz LEOAYCUBCKMAON-CJNGLKHVSA-N 1 1 276.355 3.139 20 30 CGEDMO C=CCOCC[N@H+](CCCC)Cc1ccccc1O ZINC000815111600 631719249 /nfs/dbraw/zinc/71/92/49/631719249.db2.gz CYTGKAJHQFHWOR-UHFFFAOYSA-N 1 1 263.381 3.197 20 30 CGEDMO C#CC[N@@H+](CC)Cc1ccc(Sc2ccccn2)o1 ZINC000816496774 631993708 /nfs/dbraw/zinc/99/37/08/631993708.db2.gz WQDASABNEFRCBJ-UHFFFAOYSA-N 1 1 272.373 3.281 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccc(Sc2ccccn2)o1 ZINC000816496774 631993714 /nfs/dbraw/zinc/99/37/14/631993714.db2.gz WQDASABNEFRCBJ-UHFFFAOYSA-N 1 1 272.373 3.281 20 30 CGEDMO C=C(C)COc1cc(C[N@H+]2C[C@H](C)[C@H]2C)ccc1OC ZINC000816648670 632034422 /nfs/dbraw/zinc/03/44/22/632034422.db2.gz NHYVJTJLOKIKPV-UONOGXRCSA-N 1 1 275.392 3.490 20 30 CGEDMO C#Cc1ccc(C[NH2+]Cc2c(F)cc(F)cc2F)cc1 ZINC000816650761 632037786 /nfs/dbraw/zinc/03/77/86/632037786.db2.gz ATTIOSXOQFRNDE-UHFFFAOYSA-N 1 1 275.273 3.375 20 30 CGEDMO CC(C)(C)OC(=O)N[C@H]1CCCCC[N@@H+](CCCC#N)C1 ZINC000879103616 635702683 /nfs/dbraw/zinc/70/26/83/635702683.db2.gz TXBKPKQPLUYJSX-AWEZNQCLSA-N 1 1 295.427 3.059 20 30 CGEDMO FC(F)(F)C=CNNc1cccc(C(F)(F)F)[nH+]1 ZINC000817326451 632121203 /nfs/dbraw/zinc/12/12/03/632121203.db2.gz WSOQCCOTZSDEMG-UHFFFAOYSA-N 1 1 271.164 3.451 20 30 CGEDMO Nc1ccc2c(c1)C(=[NH+]O[C@H]1CCCCO1)CCCC2 ZINC000817326938 632121572 /nfs/dbraw/zinc/12/15/72/632121572.db2.gz YMQGGWLLUNFWKS-INIZCTEOSA-N 1 1 274.364 3.243 20 30 CGEDMO C[N@@H+](CC=C(Cl)Cl)CCc1cccc(C#N)c1 ZINC000879432877 635786463 /nfs/dbraw/zinc/78/64/63/635786463.db2.gz PPUTZKPCMAIALB-UHFFFAOYSA-N 1 1 269.175 3.352 20 30 CGEDMO C[N@H+](CC=C(Cl)Cl)CCc1cccc(C#N)c1 ZINC000879432877 635786466 /nfs/dbraw/zinc/78/64/66/635786466.db2.gz PPUTZKPCMAIALB-UHFFFAOYSA-N 1 1 269.175 3.352 20 30 CGEDMO C[C@H](c1ccncc1)[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879433955 635787254 /nfs/dbraw/zinc/78/72/54/635787254.db2.gz LFKCIUTYKXOFEQ-CQSZACIVSA-N 1 1 265.360 3.189 20 30 CGEDMO C[N@@H+](CCCC(C)(C)C#N)CCc1cccc(C#N)c1 ZINC000879433875 635787700 /nfs/dbraw/zinc/78/77/00/635787700.db2.gz IMHNBFLDOFKVGJ-UHFFFAOYSA-N 1 1 269.392 3.363 20 30 CGEDMO CCN(CC)c1ccc(C[NH2+]C[C@@H](C#N)CCC#N)cc1 ZINC000818965278 632358273 /nfs/dbraw/zinc/35/82/73/632358273.db2.gz RNBWPZXNXGTFST-MRXNPFEDSA-N 1 1 284.407 3.066 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000819156300 632390900 /nfs/dbraw/zinc/39/09/00/632390900.db2.gz ZJZLNSBQQNAXLO-ZBFHGGJFSA-N 1 1 295.386 3.466 20 30 CGEDMO Clc1cc(N=NC2CC[N@H+]3CCC[C@@H]23)cc(Cl)n1 ZINC000819828734 632528497 /nfs/dbraw/zinc/52/84/97/632528497.db2.gz OJJUWDIAAXZMSD-JTQLQIEISA-N 1 1 285.178 3.024 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)C[C@@](C)(O)c2ccccc2)cc1 ZINC000822517456 632955923 /nfs/dbraw/zinc/95/59/23/632955923.db2.gz XWRJTVFKYSZJNQ-LJQANCHMSA-N 1 1 279.383 3.007 20 30 CGEDMO CC(C)(Cc1ccccc1)c1noc([C@@H]([NH3+])CCCC#N)n1 ZINC000823140463 633065007 /nfs/dbraw/zinc/06/50/07/633065007.db2.gz IHOSPUYUQVUFIP-AWEZNQCLSA-N 1 1 298.390 3.284 20 30 CGEDMO CSc1cc(C[NH2+][C@H](C)c2cccc(C#N)c2O)ccn1 ZINC000866288734 633066539 /nfs/dbraw/zinc/06/65/39/633066539.db2.gz LTTMBAHJWUPUJI-LLVKDONJSA-N 1 1 299.399 3.232 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cc(=O)oc2cc(OC)ccc12 ZINC000121133298 633207072 /nfs/dbraw/zinc/20/70/72/633207072.db2.gz NXDRFQYOHOXJAA-UHFFFAOYSA-N 1 1 287.359 3.200 20 30 CGEDMO Cc1ccc(CN2CC[C@](C[NH3+])(C(C)(C)C)C2)cc1C#N ZINC000866706243 633234064 /nfs/dbraw/zinc/23/40/64/633234064.db2.gz AUWOYYUSNWFOME-GOSISDBHSA-N 1 1 285.435 3.064 20 30 CGEDMO CC1(C)C[N@@H+](CCCOc2ccc(C#N)cc2)CCS1 ZINC000122138361 633320444 /nfs/dbraw/zinc/32/04/44/633320444.db2.gz UUFCJFITFNAMHA-UHFFFAOYSA-N 1 1 290.432 3.155 20 30 CGEDMO CCCc1ncc(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)o1 ZINC000825086344 633326933 /nfs/dbraw/zinc/32/69/33/633326933.db2.gz RVYQZMOTMAWBMW-ZDUSSCGKSA-N 1 1 299.374 3.208 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[NH2+][C@@H](c2ccccc2C)C1 ZINC000825152889 633333087 /nfs/dbraw/zinc/33/30/87/633333087.db2.gz JDWZHJXQSWSRGI-MRXNPFEDSA-N 1 1 286.419 3.070 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1ccc2ccccc2c1O ZINC000827827238 633522269 /nfs/dbraw/zinc/52/22/69/633522269.db2.gz QWDRTCZZNNKFSS-UHFFFAOYSA-N 1 1 283.371 3.017 20 30 CGEDMO C[C@H](C[C@H]1CCCC[N@H+]1C)OC(=O)c1cc(C#N)cs1 ZINC000870788078 633645944 /nfs/dbraw/zinc/64/59/44/633645944.db2.gz DNUAVCJWYPHIBZ-DGCLKSJQSA-N 1 1 292.404 3.039 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc([C@@H](C)C(F)(F)F)cc1 ZINC000829159437 633705979 /nfs/dbraw/zinc/70/59/79/633705979.db2.gz RFRRELVNSKFSLV-LLVKDONJSA-N 1 1 255.283 3.417 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2nc3c(cccc3F)n2CC)C1 ZINC000829805145 633789375 /nfs/dbraw/zinc/78/93/75/633789375.db2.gz PPQPASYEUGMIOW-CQSZACIVSA-N 1 1 299.393 3.431 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2nc3c(cccc3F)n2CC)C1 ZINC000829805145 633789379 /nfs/dbraw/zinc/78/93/79/633789379.db2.gz PPQPASYEUGMIOW-CQSZACIVSA-N 1 1 299.393 3.431 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2cncc3ccccc32)C1 ZINC000829809508 633792537 /nfs/dbraw/zinc/79/25/37/633792537.db2.gz CGKOBFODMXZSIE-HNNXBMFYSA-N 1 1 264.372 3.470 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2ccnc(Br)c2)C1 ZINC000829815654 633796801 /nfs/dbraw/zinc/79/68/01/633796801.db2.gz QGQIBARSBZFLSK-GFCCVEGCSA-N 1 1 293.208 3.079 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccnc(Br)c2)C1 ZINC000829815654 633796807 /nfs/dbraw/zinc/79/68/07/633796807.db2.gz QGQIBARSBZFLSK-GFCCVEGCSA-N 1 1 293.208 3.079 20 30 CGEDMO Cc1ccc(SCCCc2c[nH+]cn2C)c(C#N)c1 ZINC000871686764 633824087 /nfs/dbraw/zinc/82/40/87/633824087.db2.gz YFFSTYDQEKQGMI-UHFFFAOYSA-N 1 1 271.389 3.325 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000830764930 633886312 /nfs/dbraw/zinc/88/63/12/633886312.db2.gz NGLQCFVBRGIFCF-NVXWUHKLSA-N 1 1 282.387 3.308 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)cc1 ZINC000846118130 636147656 /nfs/dbraw/zinc/14/76/56/636147656.db2.gz UABVPULQHDSAAP-INIZCTEOSA-N 1 1 291.341 3.320 20 30 CGEDMO Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1CCO[C@@H](C)C#N ZINC000832524722 634070269 /nfs/dbraw/zinc/07/02/69/634070269.db2.gz RCBLGVWNKABJJR-XJKSGUPXSA-N 1 1 276.355 3.200 20 30 CGEDMO C=C(Cl)C[C@H]([NH3+])c1nc(C2Cc3ccccc3C2)no1 ZINC000872174368 634077135 /nfs/dbraw/zinc/07/71/35/634077135.db2.gz ISGZRDQUIOPQAL-ZDUSSCGKSA-N 1 1 289.766 3.094 20 30 CGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc([C@@H]2CCC(F)(F)C2)no1 ZINC000872180714 634080553 /nfs/dbraw/zinc/08/05/53/634080553.db2.gz ANCKPGYQMYQJRQ-HTQZYQBOSA-N 1 1 277.702 3.115 20 30 CGEDMO CSc1nnc(SC)n1[NH+]=C[C@@H]1CCC[C@H](C)C1 ZINC000872417571 634140629 /nfs/dbraw/zinc/14/06/29/634140629.db2.gz FJESBSWPQCRINK-VHSXEESVSA-N 1 1 284.454 3.382 20 30 CGEDMO Cc1cc2ncn(C[N@@H+](C)[C@@H]3CCC[C@@H]3C#N)c2cc1C ZINC000872681332 634185746 /nfs/dbraw/zinc/18/57/46/634185746.db2.gz HCUDGOIUQOSUOM-GDBMZVCRSA-N 1 1 282.391 3.235 20 30 CGEDMO Cc1cc2ncn(C[N@H+](C)[C@@H]3CCC[C@@H]3C#N)c2cc1C ZINC000872681332 634185749 /nfs/dbraw/zinc/18/57/49/634185749.db2.gz HCUDGOIUQOSUOM-GDBMZVCRSA-N 1 1 282.391 3.235 20 30 CGEDMO C[N@@H+](Cc1cc2c(cc1O)CCC2)[C@H]1CCC[C@@H]1C#N ZINC000872684046 634186979 /nfs/dbraw/zinc/18/69/79/634186979.db2.gz ZYDOVHZHJXRKEP-ZBFHGGJFSA-N 1 1 270.376 3.005 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(C(F)(F)F)nc1 ZINC000873186557 634275099 /nfs/dbraw/zinc/27/50/99/634275099.db2.gz REJNHTQXINYIAX-VIFPVBQESA-N 1 1 295.264 3.416 20 30 CGEDMO Cc1cccc(N[NH+]=C2CCCc3nc(N)ccc32)c1 ZINC000834916259 634287421 /nfs/dbraw/zinc/28/74/21/634287421.db2.gz WZRQMERHISFYAC-UHFFFAOYSA-N 1 1 266.348 3.125 20 30 CGEDMO c1ccc(C[N@H+]2CCC(=NNC3CC3)[C@@H]3CCC[C@H]32)cc1 ZINC000834968254 634297719 /nfs/dbraw/zinc/29/77/19/634297719.db2.gz GHIHJJVDTFIJGU-FUHWJXTLSA-N 1 1 283.419 3.169 20 30 CGEDMO Nc1ccc2c(n1)CCCC2=[NH+]OC1CCCCC1 ZINC000834972077 634299278 /nfs/dbraw/zinc/29/92/78/634299278.db2.gz KNEKYIIAKOENOL-UHFFFAOYSA-N 1 1 259.353 3.054 20 30 CGEDMO C[C@@H](N[NH+]=C1CCCNc2ccccc21)C(F)(F)F ZINC000834997543 634306023 /nfs/dbraw/zinc/30/60/23/634306023.db2.gz DUJSZAALFKMRFU-SECBINFHSA-N 1 1 271.286 3.137 20 30 CGEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000876723760 634886297 /nfs/dbraw/zinc/88/62/97/634886297.db2.gz GVCDBHKELKEFRS-HNNXBMFYSA-N 1 1 295.386 3.207 20 30 CGEDMO C=CC1CC[NH+](Cc2cccnc2Br)CC1 ZINC000876726970 634887083 /nfs/dbraw/zinc/88/70/83/634887083.db2.gz CJWAQHDKRZOCSJ-UHFFFAOYSA-N 1 1 281.197 3.242 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1cnc2c(F)cccc2c1 ZINC000877323751 635026601 /nfs/dbraw/zinc/02/66/01/635026601.db2.gz ZBKNPNIGKLXDMB-UHFFFAOYSA-N 1 1 257.312 3.013 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCCC[C@H](COC)C1 ZINC000877395906 635034797 /nfs/dbraw/zinc/03/47/97/635034797.db2.gz PBQSDQHMZVXOLA-INIZCTEOSA-N 1 1 251.414 3.319 20 30 CGEDMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000877413854 635037498 /nfs/dbraw/zinc/03/74/98/635037498.db2.gz SDTNREFIDLKRLF-MFKMUULPSA-N 1 1 263.772 3.227 20 30 CGEDMO CC[N@H+](Cc1ccc(N(C)C)cc1C)C[C@@H](C)C#N ZINC000840909869 635079980 /nfs/dbraw/zinc/07/99/80/635079980.db2.gz AKPGHZAHZFONIK-ZDUSSCGKSA-N 1 1 259.397 3.043 20 30 CGEDMO C#C[C@@H]([NH2+]C[C@@H]1CC1(Cl)Cl)c1ccc(F)cc1 ZINC000877544791 635082809 /nfs/dbraw/zinc/08/28/09/635082809.db2.gz XIGDUUJIMXXMAO-CMPLNLGQSA-N 1 1 272.150 3.283 20 30 CGEDMO C[N@H+](Cc1cc2c(ccnc2Cl)o1)CC(C)(C)C#N ZINC000877550149 635084034 /nfs/dbraw/zinc/08/40/34/635084034.db2.gz MRNAXIFMJDUEOV-UHFFFAOYSA-N 1 1 277.755 3.463 20 30 CGEDMO C[N@@H+](Cc1cc2c(ccnc2Cl)o1)CC(C)(C)C#N ZINC000877550149 635084039 /nfs/dbraw/zinc/08/40/39/635084039.db2.gz MRNAXIFMJDUEOV-UHFFFAOYSA-N 1 1 277.755 3.463 20 30 CGEDMO C#CCCCCCC[N@@H+]1CC[C@H](OC)C(C)(C)C1 ZINC000877565505 635094278 /nfs/dbraw/zinc/09/42/78/635094278.db2.gz HNRLRLDLTYRVIL-HNNXBMFYSA-N 1 1 251.414 3.317 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2nc(C(C)(C)C)cs2)C1 ZINC000877651558 635133213 /nfs/dbraw/zinc/13/32/13/635133213.db2.gz YHFPPUMYTJZAKK-LBPRGKRZSA-N 1 1 262.422 3.286 20 30 CGEDMO COc1ccc([C@H]2C[N@@H+](C[C@@H](C)CCC#N)CCO2)cc1 ZINC000877757269 635186100 /nfs/dbraw/zinc/18/61/00/635186100.db2.gz HNGVGGJPJXPVRQ-WMLDXEAASA-N 1 1 288.391 3.008 20 30 CGEDMO COc1ccc([C@@H]2C[N@@H+](C[C@H](C)CCC#N)CCO2)cc1 ZINC000877757267 635186171 /nfs/dbraw/zinc/18/61/71/635186171.db2.gz HNGVGGJPJXPVRQ-PBHICJAKSA-N 1 1 288.391 3.008 20 30 CGEDMO C[C@@H]1C[N@@H+](CC(C)(C)CCC#N)CC[C@H](C(F)(F)F)O1 ZINC000877825189 635229224 /nfs/dbraw/zinc/22/92/24/635229224.db2.gz XYAVHQBGEPASEJ-VXGBXAGGSA-N 1 1 292.345 3.358 20 30 CGEDMO C[N@@H+](CCOc1cccc(OCC#N)c1)Cc1ccccc1 ZINC000842110703 635290332 /nfs/dbraw/zinc/29/03/32/635290332.db2.gz PRNAMJHQXMWMSW-UHFFFAOYSA-N 1 1 296.370 3.100 20 30 CGEDMO CCC[N@@H+](CC[C@H](O)C(C)C)Cc1ccc(C#N)cc1 ZINC000877961747 635290645 /nfs/dbraw/zinc/29/06/45/635290645.db2.gz QQPNJHKNCQDVAP-KRWDZBQOSA-N 1 1 274.408 3.177 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](C)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000842167372 635303818 /nfs/dbraw/zinc/30/38/18/635303818.db2.gz PYQFPGMMOYZFAK-RDBSUJKOSA-N 1 1 252.402 3.062 20 30 CGEDMO C#CCCCCC[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000878118995 635364541 /nfs/dbraw/zinc/36/45/41/635364541.db2.gz XEGIROKWBRAGCS-INIZCTEOSA-N 1 1 296.418 3.102 20 30 CGEDMO CC[N@H+](CCC#N)CCc1ccccc1Br ZINC000878159805 635386247 /nfs/dbraw/zinc/38/62/47/635386247.db2.gz WRAJPAHZCJUNHR-UHFFFAOYSA-N 1 1 281.197 3.227 20 30 CGEDMO CC[N@@H+](CCC#N)CCc1ccccc1Br ZINC000878159805 635386253 /nfs/dbraw/zinc/38/62/53/635386253.db2.gz WRAJPAHZCJUNHR-UHFFFAOYSA-N 1 1 281.197 3.227 20 30 CGEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)C=NNC12CC(C1)C2 ZINC000842546654 635399155 /nfs/dbraw/zinc/39/91/55/635399155.db2.gz VFNQSMSXOIRTJD-UHFFFAOYSA-N 1 1 285.435 3.273 20 30 CGEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000878187615 635401190 /nfs/dbraw/zinc/40/11/90/635401190.db2.gz DJXBCCTXFPZJJY-DAYGRLMNSA-N 1 1 284.403 3.300 20 30 CGEDMO C#C[C@](C)(CC)[NH2+]Cc1noc2c1CC(C)(C)CC2 ZINC000878660434 635595289 /nfs/dbraw/zinc/59/52/89/635595289.db2.gz HVRJAEFVLVHHJB-MRXNPFEDSA-N 1 1 260.381 3.081 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+]Cc1noc2c1CC(C)(C)CC2 ZINC000878660433 635595550 /nfs/dbraw/zinc/59/55/50/635595550.db2.gz HVRJAEFVLVHHJB-INIZCTEOSA-N 1 1 260.381 3.081 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2noc3c2CC(C)(C)CC3)C1 ZINC000878844096 635640874 /nfs/dbraw/zinc/64/08/74/635640874.db2.gz QOLIYIUVFRUKGK-ZDUSSCGKSA-N 1 1 272.392 3.035 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2noc3c2CC(C)(C)CC3)C1 ZINC000878844096 635640878 /nfs/dbraw/zinc/64/08/78/635640878.db2.gz QOLIYIUVFRUKGK-ZDUSSCGKSA-N 1 1 272.392 3.035 20 30 CGEDMO C#CCCCCC[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000878954402 635665372 /nfs/dbraw/zinc/66/53/72/635665372.db2.gz VSLSJHXYEXPMQA-IRXDYDNUSA-N 1 1 263.425 3.461 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cnc(C(C)(C)C)nc2)C1 ZINC000843422098 635666302 /nfs/dbraw/zinc/66/63/02/635666302.db2.gz CAHAFVKIIPGBLP-AWEZNQCLSA-N 1 1 271.408 3.009 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2nn(CC)c3ccccc23)C1 ZINC000843422306 635666733 /nfs/dbraw/zinc/66/67/33/635666733.db2.gz DTRMUXMLTQKCTK-OAHLLOKOSA-N 1 1 281.403 3.292 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC000843423910 635668704 /nfs/dbraw/zinc/66/87/04/635668704.db2.gz LLNYXMAABXJVQU-INIZCTEOSA-N 1 1 287.451 3.490 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000879038683 635688901 /nfs/dbraw/zinc/68/89/01/635688901.db2.gz WMGJNWRICWVNBI-RDBSUJKOSA-N 1 1 267.413 3.251 20 30 CGEDMO CC1(C)CC[C@H](C[N@H+]2CCc3c(CC#N)cccc3C2)OC1 ZINC000879064260 635693212 /nfs/dbraw/zinc/69/32/12/635693212.db2.gz AHWNHGSVQQVEMG-QGZVFWFLSA-N 1 1 298.430 3.316 20 30 CGEDMO CC(C)C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000127565463 635723456 /nfs/dbraw/zinc/72/34/56/635723456.db2.gz GAIXMORKLSSUCD-WMZOPIPTSA-N 1 1 286.419 3.350 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2[C@H](O)c2ccccc2)cc1 ZINC000879241219 635731789 /nfs/dbraw/zinc/73/17/89/635731789.db2.gz RXFJLZSLIMEXBI-RBUKOAKNSA-N 1 1 292.382 3.256 20 30 CGEDMO C[N@H+](C[C@]1(C)CC1(Cl)Cl)[C@@H]1CCC[C@H]1C#N ZINC000879309200 635752821 /nfs/dbraw/zinc/75/28/21/635752821.db2.gz LZQJDNDVQBDKLL-AXFHLTTASA-N 1 1 261.196 3.194 20 30 CGEDMO C[N@@H+](C[C@]1(C)CC1(Cl)Cl)[C@@H]1CCC[C@H]1C#N ZINC000879309200 635752826 /nfs/dbraw/zinc/75/28/26/635752826.db2.gz LZQJDNDVQBDKLL-AXFHLTTASA-N 1 1 261.196 3.194 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@@H]3CSC[C@H]3C2)cc1C#N ZINC000879566077 635812415 /nfs/dbraw/zinc/81/24/15/635812415.db2.gz ZTLPFDVPGQFJOL-GDBMZVCRSA-N 1 1 272.417 3.052 20 30 CGEDMO C=CCCCC[N@@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000879692085 635836808 /nfs/dbraw/zinc/83/68/08/635836808.db2.gz OTYCXSIQGFTYOQ-INIZCTEOSA-N 1 1 271.408 3.222 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC000844360650 635880366 /nfs/dbraw/zinc/88/03/66/635880366.db2.gz RJYOBJRPWPKXKB-YOEHRIQHSA-N 1 1 294.439 3.189 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000844374306 635884309 /nfs/dbraw/zinc/88/43/09/635884309.db2.gz XUMMYCSHZNFVOV-AWEZNQCLSA-N 1 1 286.202 3.376 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000844374306 635884310 /nfs/dbraw/zinc/88/43/10/635884310.db2.gz XUMMYCSHZNFVOV-AWEZNQCLSA-N 1 1 286.202 3.376 20 30 CGEDMO N#Cc1cccc(OCC[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c1 ZINC000844436509 635899988 /nfs/dbraw/zinc/89/99/88/635899988.db2.gz IFCZCAWDRCIEJL-OAHLLOKOSA-N 1 1 292.329 3.058 20 30 CGEDMO COC(=O)CC[C@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000880041502 635903124 /nfs/dbraw/zinc/90/31/24/635903124.db2.gz LNUCTUCSLAJJCL-OAHLLOKOSA-N 1 1 294.439 3.372 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844441566 635903737 /nfs/dbraw/zinc/90/37/37/635903737.db2.gz OPQCMNNRZQZPPF-HNNXBMFYSA-N 1 1 276.330 3.488 20 30 CGEDMO COC(=O)[C@]12CCC[C@H]1[N@H+]([C@@H](C)c1cccc(C#N)c1)CC2 ZINC000880182951 635929864 /nfs/dbraw/zinc/92/98/64/635929864.db2.gz GDEDBYLDOGKUQG-XCRHUMRWSA-N 1 1 298.386 3.037 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000880320148 635974850 /nfs/dbraw/zinc/97/48/50/635974850.db2.gz PZWZJQBFTNGPLL-CYBMUJFWSA-N 1 1 299.399 3.013 20 30 CGEDMO C=C(Cl)C[N@@H+]1Cc2ccccc2N2CCC[C@H]2C1 ZINC000880554476 636021079 /nfs/dbraw/zinc/02/10/79/636021079.db2.gz BPYMBYFQZFJYQL-AWEZNQCLSA-N 1 1 262.784 3.224 20 30 CGEDMO C=CC[C@@H]1CC[C@H]([NH2+]Cc2nc(-c3ccccc3)n[nH]2)C1 ZINC000845952385 636123937 /nfs/dbraw/zinc/12/39/37/636123937.db2.gz RKMKCUONXKPRHD-HIFRSBDPSA-N 1 1 282.391 3.306 20 30 CGEDMO Cc1ccccc1-c1noc([C@@H]([NH3+])CCCCC#N)n1 ZINC000846770324 636235384 /nfs/dbraw/zinc/23/53/84/636235384.db2.gz AJQYRFJZXMYMRP-ZDUSSCGKSA-N 1 1 270.336 3.129 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@](C)(CC)c2ccccc2)nn1 ZINC000846843800 636257321 /nfs/dbraw/zinc/25/73/21/636257321.db2.gz HFFWILOOGYGPTA-QGZVFWFLSA-N 1 1 284.407 3.269 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@H](C)c2ccc(C)s2)nn1 ZINC000846853504 636261013 /nfs/dbraw/zinc/26/10/13/636261013.db2.gz FKYWLNLQPPCPLH-GFCCVEGCSA-N 1 1 276.409 3.075 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000847020877 636312853 /nfs/dbraw/zinc/31/28/53/636312853.db2.gz FJIDRONFWSVXIK-APWZRJJASA-N 1 1 299.414 3.090 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000847022085 636314070 /nfs/dbraw/zinc/31/40/70/636314070.db2.gz FLKXUNRAKFIZSJ-CYBMUJFWSA-N 1 1 283.400 3.050 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000847022085 636314074 /nfs/dbraw/zinc/31/40/74/636314074.db2.gz FLKXUNRAKFIZSJ-CYBMUJFWSA-N 1 1 283.400 3.050 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000847026486 636316510 /nfs/dbraw/zinc/31/65/10/636316510.db2.gz PPGLUJHXRJJRFU-GFCCVEGCSA-N 1 1 265.303 3.133 20 30 CGEDMO C=CC[C@@H](C(=O)OCC[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000847821660 636459484 /nfs/dbraw/zinc/45/94/84/636459484.db2.gz KGPGRXAXUNFCOG-NVXWUHKLSA-N 1 1 287.403 3.231 20 30 CGEDMO C=CCOc1ccc(C[NH2+]Cc2nc(C(C)C)c[nH]2)cc1 ZINC000883117215 636545698 /nfs/dbraw/zinc/54/56/98/636545698.db2.gz TVUCJZDYPHBHEH-UHFFFAOYSA-N 1 1 285.391 3.388 20 30 CGEDMO C#CCOc1ccc(C[N@H+](C)[C@@H](C)c2ccco2)cc1 ZINC000131098047 636555967 /nfs/dbraw/zinc/55/59/67/636555967.db2.gz HEEKCJMKVNRRFS-AWEZNQCLSA-N 1 1 269.344 3.485 20 30 CGEDMO C[C@@H]1C[C@@H]1C(N)=[NH+]OCc1ccccc1C(C)(C)C#N ZINC000848519086 636586165 /nfs/dbraw/zinc/58/61/65/636586165.db2.gz NCNCYZFWKGCUPW-YPMHNXCESA-N 1 1 271.364 3.142 20 30 CGEDMO C=CCC[C@H]([NH2+]C1CC(N2CCCCC2)C1)[C@H]1CCCO1 ZINC000883220162 636594531 /nfs/dbraw/zinc/59/45/31/636594531.db2.gz FKZDLXKRTGZYHJ-ZGUYJTEBSA-N 1 1 292.467 3.107 20 30 CGEDMO C=C(C)C[N@@H+](CC)C[C@H](O)c1ccccc1Br ZINC000131310700 636617673 /nfs/dbraw/zinc/61/76/73/636617673.db2.gz OGUNSRKABZGDIZ-AWEZNQCLSA-N 1 1 298.224 3.381 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2sc3nc(C)nc(C)c3c2C)C1 ZINC000848923727 636695555 /nfs/dbraw/zinc/69/55/55/636695555.db2.gz PJNYIQPCRVOMRF-CQSZACIVSA-N 1 1 299.443 3.462 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000848924586 636697656 /nfs/dbraw/zinc/69/76/56/636697656.db2.gz WEQVKXKYGOVKEM-AWEZNQCLSA-N 1 1 250.345 3.080 20 30 CGEDMO CC(C)[C@@H]1CC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000134980297 637061002 /nfs/dbraw/zinc/06/10/02/637061002.db2.gz CNVVRMJELPASRO-MRXNPFEDSA-N 1 1 272.392 3.305 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(C(F)F)nc1 ZINC000850462103 637075275 /nfs/dbraw/zinc/07/52/75/637075275.db2.gz MQEOBCULUDPGKT-SNVBAGLBSA-N 1 1 288.301 3.137 20 30 CGEDMO N#CC1(C[C@H](O)C[N@@H+](Cc2ccccc2)C2CC2)CCC1 ZINC000885937880 637321180 /nfs/dbraw/zinc/32/11/80/637321180.db2.gz LXVKKZPQFIYSFE-KRWDZBQOSA-N 1 1 284.403 3.096 20 30 CGEDMO CCc1ccc(C[N@@H+](C)C[C@@H](O)CC2(C#N)CCC2)cc1 ZINC000885943247 637324445 /nfs/dbraw/zinc/32/44/45/637324445.db2.gz ZUVUTCGTOGGEON-KRWDZBQOSA-N 1 1 286.419 3.126 20 30 CGEDMO C[N@H+](Cc1ccc(Cl)cc1)C[C@@H](O)CC1(C#N)CCC1 ZINC000885946267 637325658 /nfs/dbraw/zinc/32/56/58/637325658.db2.gz HBQWJHCOAFTYOG-HNNXBMFYSA-N 1 1 292.810 3.217 20 30 CGEDMO CC[N@@H+](C[C@@H](O)CC1(C#N)CCC1)C1CCCCC1 ZINC000885955848 637328630 /nfs/dbraw/zinc/32/86/30/637328630.db2.gz CLCKAAFSMKLDPS-HNNXBMFYSA-N 1 1 264.413 3.086 20 30 CGEDMO Cc1ccc([C@@H](C)[N@@H+](C)C[C@H](O)CC2(C#N)CCC2)cc1 ZINC000885955930 637329767 /nfs/dbraw/zinc/32/97/67/637329767.db2.gz CUZIXYWLVCJXLP-NVXWUHKLSA-N 1 1 286.419 3.433 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@H+]2CCCC3(CCCC3)C2)CCC1 ZINC000886160047 637441845 /nfs/dbraw/zinc/44/18/45/637441845.db2.gz IROPFHZPTGQIBR-OAHLLOKOSA-N 1 1 276.424 3.087 20 30 CGEDMO Cc1cc(C)cc(C[N@@H+](C)C[C@H](O)CC2(C#N)CCC2)c1 ZINC000886173567 637447908 /nfs/dbraw/zinc/44/79/08/637447908.db2.gz SVPLPDWUGGBKAE-QGZVFWFLSA-N 1 1 286.419 3.180 20 30 CGEDMO C=CC[N@H+](CC[C@H]1COC(C)(C)O1)Cc1cccs1 ZINC000851712563 637470544 /nfs/dbraw/zinc/47/05/44/637470544.db2.gz QMFQQKCILLTSRJ-ZDUSSCGKSA-N 1 1 281.421 3.278 20 30 CGEDMO Cc1cc([C@@H]2CCC[N@H+]2CCc2ccc(C#N)cc2)no1 ZINC000851716026 637472330 /nfs/dbraw/zinc/47/23/30/637472330.db2.gz HKEYXSNJDFAAOL-KRWDZBQOSA-N 1 1 281.359 3.234 20 30 CGEDMO C#CCOCC[N@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000851775626 637497201 /nfs/dbraw/zinc/49/72/01/637497201.db2.gz VBTUVFRTJAQJPO-OAHLLOKOSA-N 1 1 295.835 3.080 20 30 CGEDMO C#CCOCC[N@@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000851775626 637497205 /nfs/dbraw/zinc/49/72/05/637497205.db2.gz VBTUVFRTJAQJPO-OAHLLOKOSA-N 1 1 295.835 3.080 20 30 CGEDMO C[C@@H]1c2sccc2CC[N@@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886318036 637498231 /nfs/dbraw/zinc/49/82/31/637498231.db2.gz IALHSRRIPRIMKT-OCCSQVGLSA-N 1 1 290.432 3.112 20 30 CGEDMO C#CC[C@H]1CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000886354001 637508819 /nfs/dbraw/zinc/50/88/19/637508819.db2.gz UHMQLFHCKDVCBI-OLZOCXBDSA-N 1 1 258.321 3.001 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2ncc(Cl)cc2Cl)C1 ZINC000886363942 637514215 /nfs/dbraw/zinc/51/42/15/637514215.db2.gz JQSQGEGZALMZBT-JTQLQIEISA-N 1 1 269.175 3.234 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ncc(Cl)cc2Cl)C1 ZINC000886363942 637514218 /nfs/dbraw/zinc/51/42/18/637514218.db2.gz JQSQGEGZALMZBT-JTQLQIEISA-N 1 1 269.175 3.234 20 30 CGEDMO C#CC[C@H]1CC[N@H+]([C@@H](CCOC)c2ccccc2)C1 ZINC000886363053 637514445 /nfs/dbraw/zinc/51/44/45/637514445.db2.gz YQRUAIFINYRNQA-RDJZCZTQSA-N 1 1 257.377 3.109 20 30 CGEDMO Cc1ccccc1[C@@H](CO)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000886431750 637529044 /nfs/dbraw/zinc/52/90/44/637529044.db2.gz FWRXZTPLCSLBOB-GOSISDBHSA-N 1 1 280.371 3.032 20 30 CGEDMO Cc1ccccc1[C@H](CO)[N@@H+](C)CC#Cc1ccccc1 ZINC000886438798 637529838 /nfs/dbraw/zinc/52/98/38/637529838.db2.gz IWWGOEQZHHBCRH-IBGZPJMESA-N 1 1 279.383 3.012 20 30 CGEDMO C#CCOCC[N@@H+](Cc1ccccn1)Cc1ccccc1C ZINC000852117640 637600307 /nfs/dbraw/zinc/60/03/07/637600307.db2.gz OSHVWGHOQZAZCF-UHFFFAOYSA-N 1 1 294.398 3.042 20 30 CGEDMO N#CCC[C@@H](C#N)C[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886611250 637605081 /nfs/dbraw/zinc/60/50/81/637605081.db2.gz XHJIRXIFSIIKOG-AVGNSLFASA-N 1 1 285.313 3.094 20 30 CGEDMO N#CCC[C@@H](C#N)C[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886611250 637605087 /nfs/dbraw/zinc/60/50/87/637605087.db2.gz XHJIRXIFSIIKOG-AVGNSLFASA-N 1 1 285.313 3.094 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)C1 ZINC000886617040 637608246 /nfs/dbraw/zinc/60/82/46/637608246.db2.gz BYZOPAXPUPQDOE-VOAKCMCISA-N 1 1 272.314 3.343 20 30 CGEDMO CCCCCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000852318777 637633558 /nfs/dbraw/zinc/63/35/58/637633558.db2.gz AXUBTHZWUHNDCW-JKSUJKDBSA-N 1 1 293.455 3.087 20 30 CGEDMO CCCCCC[C@H](C)NC(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000852318777 637633562 /nfs/dbraw/zinc/63/35/62/637633562.db2.gz AXUBTHZWUHNDCW-JKSUJKDBSA-N 1 1 293.455 3.087 20 30 CGEDMO CC(C)(C)CC[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852329240 637636284 /nfs/dbraw/zinc/63/62/84/637636284.db2.gz WRNVNPNGTXAKBW-QGZVFWFLSA-N 1 1 271.408 3.375 20 30 CGEDMO C=CC[N@@H+](C[C@@]1(C)CC1(Cl)Cl)[C@@H](C)COC ZINC000852356583 637642571 /nfs/dbraw/zinc/64/25/71/637642571.db2.gz IULZRHHJKZTXDW-WDEREUQCSA-N 1 1 266.212 3.093 20 30 CGEDMO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(C3CC3)no1)CC2 ZINC000886684211 637650949 /nfs/dbraw/zinc/65/09/49/637650949.db2.gz HIDCPQBYWCDLFY-INIZCTEOSA-N 1 1 279.343 3.201 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H](Cc2nc(C)cs2)C1 ZINC000886691767 637655690 /nfs/dbraw/zinc/65/56/90/637655690.db2.gz LXIRRGANGVLXIL-GFCCVEGCSA-N 1 1 270.829 3.459 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](Cc2nc(C)cs2)C1 ZINC000886691767 637655699 /nfs/dbraw/zinc/65/56/99/637655699.db2.gz LXIRRGANGVLXIL-GFCCVEGCSA-N 1 1 270.829 3.459 20 30 CGEDMO Cc1csc(C[C@H]2CCC[N@@H+](CC3(CC#N)CC3)C2)n1 ZINC000886691483 637656032 /nfs/dbraw/zinc/65/60/32/637656032.db2.gz FIBASJWFIUTGAF-CQSZACIVSA-N 1 1 289.448 3.400 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1cc(C)ccc1OC(F)F ZINC000852748480 637705071 /nfs/dbraw/zinc/70/50/71/637705071.db2.gz AIUKHIPNXSOCIC-UHFFFAOYSA-N 1 1 297.345 3.068 20 30 CGEDMO C#CCC[N@H+](CCOC)CC[C@H]1CCc2ccccc21 ZINC000852750321 637706209 /nfs/dbraw/zinc/70/62/09/637706209.db2.gz PZYJRWRDXYAEMR-QGZVFWFLSA-N 1 1 271.404 3.078 20 30 CGEDMO C=CC[N@H+](Cn1ccc(-c2ccsc2)n1)[C@@H](C)COC ZINC000853532816 637863214 /nfs/dbraw/zinc/86/32/14/637863214.db2.gz NCMNSFKZLJLTRT-ZDUSSCGKSA-N 1 1 291.420 3.092 20 30 CGEDMO C=CC[N@@H+](Cn1ccc(-c2ccsc2)n1)[C@@H](C)COC ZINC000853532816 637863218 /nfs/dbraw/zinc/86/32/18/637863218.db2.gz NCMNSFKZLJLTRT-ZDUSSCGKSA-N 1 1 291.420 3.092 20 30 CGEDMO C=CC(C)(C)CC(=O)Nc1c[nH+]ccc1-n1cc(C)cn1 ZINC000889682154 638095941 /nfs/dbraw/zinc/09/59/41/638095941.db2.gz LBNKAENVMUQTNG-UHFFFAOYSA-N 1 1 284.363 3.117 20 30 CGEDMO CC[C@H]1C[N@H+](Cc2cc(Cl)cc(C#N)c2)CCCO1 ZINC000930317975 638276580 /nfs/dbraw/zinc/27/65/80/638276580.db2.gz WZEUJVVXDPVKKD-HNNXBMFYSA-N 1 1 278.783 3.213 20 30 CGEDMO CC[C@H]1C[N@@H+](Cc2cc(Cl)cc(C#N)c2)CCCO1 ZINC000930317975 638276585 /nfs/dbraw/zinc/27/65/85/638276585.db2.gz WZEUJVVXDPVKKD-HNNXBMFYSA-N 1 1 278.783 3.213 20 30 CGEDMO C=CC[C@@H]([NH2+][C@H](C)c1cc(OC)no1)c1ccncc1 ZINC000925074461 638447610 /nfs/dbraw/zinc/44/76/10/638447610.db2.gz HDLVVHYGDYQICS-DGCLKSJQSA-N 1 1 273.336 3.046 20 30 CGEDMO COc1ccccc1[C@@H]([NH2+]CCCC#N)c1ccccn1 ZINC000926131816 638717088 /nfs/dbraw/zinc/71/70/88/638717088.db2.gz GQCBMPOOTZNKCM-QGZVFWFLSA-N 1 1 281.359 3.073 20 30 CGEDMO C#Cc1cccc(C[NH2+][C@H]2CCCc3oc(C)nc32)c1 ZINC000926551467 638784554 /nfs/dbraw/zinc/78/45/54/638784554.db2.gz SXTVVDQMHYSNSE-HNNXBMFYSA-N 1 1 266.344 3.132 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)CC1CCC(C#N)CC1 ZINC000929162936 638904015 /nfs/dbraw/zinc/90/40/15/638904015.db2.gz WMHJHJLGCRONBY-UHFFFAOYSA-N 1 1 267.376 3.320 20 30 CGEDMO C[N@@H+](CCCCC1(C#N)CCC1)C[C@H]1CCCCO1 ZINC000929327764 638919098 /nfs/dbraw/zinc/91/90/98/638919098.db2.gz KSSGPUBUBYXEQQ-OAHLLOKOSA-N 1 1 264.413 3.351 20 30 CGEDMO N#Cc1cncc(C[N@@H+](CCc2ccccc2)C2CC2)c1 ZINC000929368934 638922055 /nfs/dbraw/zinc/92/20/55/638922055.db2.gz PKTOMNGKHLVOKS-UHFFFAOYSA-N 1 1 277.371 3.160 20 30 CGEDMO CCCC[N@@H+](C[C@H](O)CC#N)[C@@H](C)c1ccc(C)o1 ZINC000929406338 638923813 /nfs/dbraw/zinc/92/38/13/638923813.db2.gz YOMKAKLYFNHJIW-UONOGXRCSA-N 1 1 264.369 3.026 20 30 CGEDMO CC[N@@H+](Cc1cnc(N(C)C)c2ccccc12)C[C@H](C)C#N ZINC000929429771 638924962 /nfs/dbraw/zinc/92/49/62/638924962.db2.gz QPIPZAYLGQXVFG-CQSZACIVSA-N 1 1 296.418 3.282 20 30 CGEDMO CC[N@H+](Cc1cnc(N(C)C)c2ccccc12)C[C@H](C)C#N ZINC000929429771 638924964 /nfs/dbraw/zinc/92/49/64/638924964.db2.gz QPIPZAYLGQXVFG-CQSZACIVSA-N 1 1 296.418 3.282 20 30 CGEDMO C[C@@H]1SCC[N@@H+](CC2CCC(C#N)CC2)[C@H]1C ZINC000929675017 638940099 /nfs/dbraw/zinc/94/00/99/638940099.db2.gz ZWDAUXCETQWECF-FEPKRQSRSA-N 1 1 252.427 3.142 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCOC[C@H]2c2ccccc2)CC1 ZINC000929754516 638947588 /nfs/dbraw/zinc/94/75/88/638947588.db2.gz CDEJZKJTFURHSQ-HTWSVDAQSA-N 1 1 284.403 3.390 20 30 CGEDMO CC[N@@H+](Cc1cncc(C#N)c1)[C@@H](C)c1cccc(O)c1 ZINC000929792654 638952455 /nfs/dbraw/zinc/95/24/55/638952455.db2.gz OXCGEKNMUMQHEJ-ZDUSSCGKSA-N 1 1 281.359 3.242 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)c1 ZINC000930040210 638970479 /nfs/dbraw/zinc/97/04/79/638970479.db2.gz RTDZNHYVFZSSGE-SFHVURJKSA-N 1 1 292.386 3.030 20 30 CGEDMO C[C@H](C#N)C[N@H+](C[C@H]1CCCC2(CCC2)O1)C1CC1 ZINC000930086591 638973326 /nfs/dbraw/zinc/97/33/26/638973326.db2.gz NHPTVKTWIPTEOM-UKRRQHHQSA-N 1 1 262.397 3.102 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C[C@H]1CCCC2(CCC2)O1)C1CC1 ZINC000930086591 638973327 /nfs/dbraw/zinc/97/33/27/638973327.db2.gz NHPTVKTWIPTEOM-UKRRQHHQSA-N 1 1 262.397 3.102 20 30 CGEDMO N#CC1(CCCC[N@@H+]2CCCN(CC(F)F)CC2)CCC1 ZINC000930145693 638977640 /nfs/dbraw/zinc/97/76/40/638977640.db2.gz SAPBRWURZUNCSV-UHFFFAOYSA-N 1 1 299.409 3.123 20 30 CGEDMO C=CCC[C@H]([NH2+]Cc1nncs1)c1ccccc1 ZINC000930227762 638984562 /nfs/dbraw/zinc/98/45/62/638984562.db2.gz ITRGMERGBTWVET-ZDUSSCGKSA-N 1 1 259.378 3.335 20 30 CGEDMO C#CCCCCCC[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000930293538 638988611 /nfs/dbraw/zinc/98/86/11/638988611.db2.gz XPGDMEFZXCAXFF-SFHVURJKSA-N 1 1 286.419 3.256 20 30 CGEDMO C[C@H]1CN(C2CCC2)CC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000930557560 639025246 /nfs/dbraw/zinc/02/52/46/639025246.db2.gz HBSTVIFOALFSFQ-KLAILNCOSA-N 1 1 289.467 3.123 20 30 CGEDMO C[C@@H]1CN(CC2CCC(C#N)CC2)CC[N@@H+](C2CCC2)C1 ZINC000930557560 639025249 /nfs/dbraw/zinc/02/52/49/639025249.db2.gz HBSTVIFOALFSFQ-KLAILNCOSA-N 1 1 289.467 3.123 20 30 CGEDMO C[C@@H]1CN(CC2CCC(C#N)CC2)CC[N@H+](C2CCC2)C1 ZINC000930557560 639025250 /nfs/dbraw/zinc/02/52/50/639025250.db2.gz HBSTVIFOALFSFQ-KLAILNCOSA-N 1 1 289.467 3.123 20 30 CGEDMO C#CC[C@@H](COC)Nc1cc(C)[nH+]c2c(OC)cccc12 ZINC000858861188 639031320 /nfs/dbraw/zinc/03/13/20/639031320.db2.gz ZDPJFEVBETZFCR-ZDUSSCGKSA-N 1 1 284.359 3.002 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](C)Cc1ccccn1 ZINC000930614509 639038607 /nfs/dbraw/zinc/03/86/07/639038607.db2.gz BFBQAWBZHYETDI-UHFFFAOYSA-N 1 1 265.360 3.202 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cncc(C#N)c2)CCc2ccc(F)cc21 ZINC000930864756 639079716 /nfs/dbraw/zinc/07/97/16/639079716.db2.gz IZINSCWFZDXAOW-ZDUSSCGKSA-N 1 1 295.361 3.254 20 30 CGEDMO C[N@H+](Cc1ccc2cc[nH]c2c1)[C@H]1CCC[C@@H]1C#N ZINC000931473581 639157611 /nfs/dbraw/zinc/15/76/11/639157611.db2.gz AMVMREOJEYABNY-ZBFHGGJFSA-N 1 1 253.349 3.292 20 30 CGEDMO C[N@@H+](Cc1ccc2cc[nH]c2c1)[C@H]1CCC[C@@H]1C#N ZINC000931473581 639157621 /nfs/dbraw/zinc/15/76/21/639157621.db2.gz AMVMREOJEYABNY-ZBFHGGJFSA-N 1 1 253.349 3.292 20 30 CGEDMO N#CC1CCC(C[N@H+]2CC[C@H]3CSC[C@@H]3C2)CC1 ZINC000931551361 639168489 /nfs/dbraw/zinc/16/84/89/639168489.db2.gz WWJJJFJMTLCJCU-WUCCLRPBSA-N 1 1 264.438 3.001 20 30 CGEDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2CCC1(C#N)CCCCC1 ZINC000931719378 639196131 /nfs/dbraw/zinc/19/61/31/639196131.db2.gz QKAJPGAHLLDNHH-JKSUJKDBSA-N 1 1 275.440 3.019 20 30 CGEDMO CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCC1(C#N)CCCCC1 ZINC000931719378 639196136 /nfs/dbraw/zinc/19/61/36/639196136.db2.gz QKAJPGAHLLDNHH-JKSUJKDBSA-N 1 1 275.440 3.019 20 30 CGEDMO CN1CC[C@@H]2CC[C@H](C1)[N@H+]2CCC1(C#N)CCCCC1 ZINC000931719378 639196140 /nfs/dbraw/zinc/19/61/40/639196140.db2.gz QKAJPGAHLLDNHH-JKSUJKDBSA-N 1 1 275.440 3.019 20 30 CGEDMO N#CCCCC[N@@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931914926 639228932 /nfs/dbraw/zinc/22/89/32/639228932.db2.gz DXXGDOHRYDFEGB-SNVBAGLBSA-N 1 1 264.266 3.047 20 30 CGEDMO CC(C)(C)OC[C@H]1CCC[N@H+]1Cc1ccccc1C#N ZINC000932164902 639281021 /nfs/dbraw/zinc/28/10/21/639281021.db2.gz WSZASCZVCNOHBC-MRXNPFEDSA-N 1 1 272.392 3.338 20 30 CGEDMO CC1(C)[C@@H](c2ccc(Cl)cc2)CC[N@H+]1C[C@H](O)CC#N ZINC000932282065 639312749 /nfs/dbraw/zinc/31/27/49/639312749.db2.gz DVNBXTUPGJDCSG-HUUCEWRRSA-N 1 1 292.810 3.182 20 30 CGEDMO C#CC[N@@H+](Cc1nc(C)c2ccccc2n1)C(C)(C)C ZINC000932465423 639338322 /nfs/dbraw/zinc/33/83/22/639338322.db2.gz WJZNIFINUMHWCM-UHFFFAOYSA-N 1 1 267.376 3.172 20 30 CGEDMO C#CC[N@H+](Cc1nc(C)c2ccccc2n1)C(C)(C)C ZINC000932465423 639338330 /nfs/dbraw/zinc/33/83/30/639338330.db2.gz WJZNIFINUMHWCM-UHFFFAOYSA-N 1 1 267.376 3.172 20 30 CGEDMO CC[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000932944131 639403845 /nfs/dbraw/zinc/40/38/45/639403845.db2.gz RHPCXFWWAFGALS-OLQVQODUSA-N 1 1 297.189 3.109 20 30 CGEDMO C#CC[N@@H+](Cc1cc(C)ncn1)[C@H]1CCCc2ccccc21 ZINC000933416971 639448548 /nfs/dbraw/zinc/44/85/48/639448548.db2.gz DCCHVQONTNTYNO-IBGZPJMESA-N 1 1 291.398 3.298 20 30 CGEDMO C#CC[N@H+](Cc1cc(C)ncn1)[C@H]1CCCc2ccccc21 ZINC000933416971 639448553 /nfs/dbraw/zinc/44/85/53/639448553.db2.gz DCCHVQONTNTYNO-IBGZPJMESA-N 1 1 291.398 3.298 20 30 CGEDMO COc1ccc([C@@H](C)[NH2+]C[C@H](C#N)CCC#N)cc1C ZINC000933489850 639454070 /nfs/dbraw/zinc/45/40/70/639454070.db2.gz NNQYZHUHQVHVPD-KGLIPLIRSA-N 1 1 271.364 3.098 20 30 CGEDMO CCCCC[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933628574 639472511 /nfs/dbraw/zinc/47/25/11/639472511.db2.gz ODSSILGXXZHWJN-INIZCTEOSA-N 1 1 258.365 3.122 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933711288 639481858 /nfs/dbraw/zinc/48/18/58/639481858.db2.gz ATSCTVOHMIFUHX-NEPJUHHUSA-N 1 1 297.324 3.087 20 30 CGEDMO C[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)[C@@H]1CC[C@@H](C#N)C1 ZINC000934415206 639604527 /nfs/dbraw/zinc/60/45/27/639604527.db2.gz MWOJMRIBKOZTMT-CZUORRHYSA-N 1 1 280.375 3.201 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@H](CC)C(=O)Nc1ccc(OC)cc1 ZINC000934471170 639615647 /nfs/dbraw/zinc/61/56/47/639615647.db2.gz HWPQZBVTQDWZRV-GDBMZVCRSA-N 1 1 288.391 3.063 20 30 CGEDMO CCCCCCCCC(=O)N1CC[NH+](CCCF)CC1 ZINC000862111590 639646759 /nfs/dbraw/zinc/64/67/59/639646759.db2.gz KFWLRMGWWMKWKG-UHFFFAOYSA-N 1 1 286.435 3.241 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000934839262 639687896 /nfs/dbraw/zinc/68/78/96/639687896.db2.gz VZXZDRXBXITGSW-RTBURBONSA-N 1 1 283.415 3.177 20 30 CGEDMO CCCCCCCC[N@@H+](CCC)[C@@H]1CCS(=O)(=O)C1 ZINC000157563070 639991651 /nfs/dbraw/zinc/99/16/51/639991651.db2.gz DFDKFNMDDCQWRP-OAHLLOKOSA-N 1 1 289.485 3.246 20 30 CGEDMO C[C@@H](C/N=C/c1ccccc1O)[N@H+]1CCc2ccccc2C1 ZINC000075580913 640144340 /nfs/dbraw/zinc/14/43/40/640144340.db2.gz IHQXCEVINDQPSR-NPRIEWAGSA-N 1 1 294.398 3.258 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccc(F)nc1 ZINC000189307986 640187589 /nfs/dbraw/zinc/18/75/89/640187589.db2.gz QRZSVMJONVIIDK-UHFFFAOYSA-N 1 1 270.351 3.451 20 30 CGEDMO Cc1nc(CO[NH+]=C(N)CCC(C)C)nc2ccccc12 ZINC000193591077 640476439 /nfs/dbraw/zinc/47/64/39/640476439.db2.gz QRMZAUMRJIYPCV-UHFFFAOYSA-N 1 1 286.379 3.163 20 30 CGEDMO C#CC[N@H+](CCc1ccc(OC)cc1)C1CCCC1 ZINC000195733053 640593128 /nfs/dbraw/zinc/59/31/28/640593128.db2.gz ZUOGVHUQWDVPEP-UHFFFAOYSA-N 1 1 257.377 3.116 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)CCc1ccc2c(c1)CCO2 ZINC000088102333 640614258 /nfs/dbraw/zinc/61/42/58/640614258.db2.gz XMEDGRNQSJNHBD-UHFFFAOYSA-N 1 1 272.392 3.036 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCS[C@H](C)[C@@H]2C)cc1 ZINC000245754747 640636167 /nfs/dbraw/zinc/63/61/67/640636167.db2.gz OKJFBSMWZHLLFH-HZSPNIEDSA-N 1 1 290.432 3.303 20 30 CGEDMO C#CC[N@H+](Cc1ccc(F)cc1)Cc1cccc(O)c1 ZINC000092541637 640738771 /nfs/dbraw/zinc/73/87/71/640738771.db2.gz URHVKFTYYPGIRH-UHFFFAOYSA-N 1 1 269.319 3.167 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cccc(O)c1 ZINC000092541637 640738773 /nfs/dbraw/zinc/73/87/73/640738773.db2.gz URHVKFTYYPGIRH-UHFFFAOYSA-N 1 1 269.319 3.167 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)cc1 ZINC000093661046 640778535 /nfs/dbraw/zinc/77/85/35/640778535.db2.gz QOXJRMNQRVZUDN-VBNZEHGJSA-N 1 1 270.376 3.065 20 30 CGEDMO C#CC[N@@H+](CC[C@@H]1CCCO1)[C@H]1CCc2ccccc21 ZINC000249379567 640797245 /nfs/dbraw/zinc/79/72/45/640797245.db2.gz QFNWHOJBLKWDIF-WMZOPIPTSA-N 1 1 269.388 3.178 20 30 CGEDMO Cc1cc(F)ccc1[C@H](O)C[N@H+](CCC#N)CC(C)(C)C ZINC000304560830 640865317 /nfs/dbraw/zinc/86/53/17/640865317.db2.gz XVSVMWPZCXSCBA-MRXNPFEDSA-N 1 1 292.398 3.429 20 30 CGEDMO Cc1cc(F)ccc1[C@H](O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000304560830 640865320 /nfs/dbraw/zinc/86/53/20/640865320.db2.gz XVSVMWPZCXSCBA-MRXNPFEDSA-N 1 1 292.398 3.429 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2cc(C)oc2C)C1 ZINC001006705323 640937063 /nfs/dbraw/zinc/93/70/63/640937063.db2.gz VGMDICUVSHUNBF-HNNXBMFYSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cscc2Cl)C1 ZINC001007564094 640943817 /nfs/dbraw/zinc/94/38/17/640943817.db2.gz YGLQBFRVLGLXQX-LLVKDONJSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)c2cccs2)C1 ZINC001008508867 640951677 /nfs/dbraw/zinc/95/16/77/640951677.db2.gz DPOLLOSSQUXWBE-KGLIPLIRSA-N 1 1 292.448 3.008 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2c(C)cccc2C)C1 ZINC001008633016 640953869 /nfs/dbraw/zinc/95/38/69/640953869.db2.gz TXVBUVUPOQBCLR-INIZCTEOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2csc(Cl)c2)C1 ZINC001008746801 640953905 /nfs/dbraw/zinc/95/39/05/640953905.db2.gz JPSHKYXGHVMDMJ-LBPRGKRZSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cc(Cl)ccc2C)C1 ZINC001008914947 640954386 /nfs/dbraw/zinc/95/43/86/640954386.db2.gz SZYLSBMPAMJGHE-AWEZNQCLSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001009672767 640961985 /nfs/dbraw/zinc/96/19/85/640961985.db2.gz NRGITDKSSBBNLF-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C3CCCC3)cc2)C1 ZINC001015307185 640979458 /nfs/dbraw/zinc/97/94/58/640979458.db2.gz OFAIVEKOAYLNLZ-GOSISDBHSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccoc2CCC)C1 ZINC001015992385 640989946 /nfs/dbraw/zinc/98/99/46/640989946.db2.gz HVAWPQPKMKAEPU-CQSZACIVSA-N 1 1 290.407 3.002 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001016072815 640991525 /nfs/dbraw/zinc/99/15/25/640991525.db2.gz RWXABUMGIFSRLC-OAHLLOKOSA-N 1 1 292.810 3.110 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2sccc2C(C)C)C1 ZINC001016319946 640994993 /nfs/dbraw/zinc/99/49/93/640994993.db2.gz GEKFJCHCPIYPBD-ZDUSSCGKSA-N 1 1 292.448 3.252 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cc3c(cccc3C)o2)C1 ZINC001016367085 640996415 /nfs/dbraw/zinc/99/64/15/640996415.db2.gz IHJPRDNDXZEBEM-AWEZNQCLSA-N 1 1 298.386 3.121 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C3=CCCC3)cc2)C1 ZINC001016444421 640999688 /nfs/dbraw/zinc/99/96/88/640999688.db2.gz VMHNCVMBBKIEKR-GOSISDBHSA-N 1 1 296.414 3.244 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC1CCC1 ZINC001017453911 641012655 /nfs/dbraw/zinc/01/26/55/641012655.db2.gz HPAUVZAXQFQYKH-CALCHBBNSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]1CC ZINC001017903625 641018273 /nfs/dbraw/zinc/01/82/73/641018273.db2.gz ZAPIFRGFRBOBAO-WCXIOVBPSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H](C)C1 ZINC001018024197 641019263 /nfs/dbraw/zinc/01/92/63/641019263.db2.gz PYSUNMOPQIZLBU-LUKYLMHMSA-N 1 1 290.451 3.064 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)CCC=C(C)C ZINC001155401275 805578186 /nfs/dbraw/zinc/57/81/86/805578186.db2.gz XHEILLGEVQCTKX-DLBZAZTESA-N 1 1 292.467 3.219 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)C12CCC(CC1)C2(C)C ZINC001155694189 805604917 /nfs/dbraw/zinc/60/49/17/805604917.db2.gz HXWVBIWGPDIQFQ-KSTDHSDQSA-N 1 1 292.467 3.215 20 30 CGEDMO COc1cc(C[NH+]2CC(CC#N)C2)cc2c1NC(C)(C)C=C2 ZINC001250478193 805641606 /nfs/dbraw/zinc/64/16/06/805641606.db2.gz NRAIHNGZAPTTAN-UHFFFAOYSA-N 1 1 297.402 3.258 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC12CCCC2 ZINC001156218197 805667569 /nfs/dbraw/zinc/66/75/69/805667569.db2.gz FOPCMMVENVPHSC-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](F)CCCCCC ZINC001156403727 805684743 /nfs/dbraw/zinc/68/47/43/805684743.db2.gz PVMWQZVRAUOELB-CVEARBPZSA-N 1 1 298.446 3.145 20 30 CGEDMO CN(C)c1ccc2[nH]c(Cc3ccc(C#N)cc3)[nH+]c2c1 ZINC001250588018 805710795 /nfs/dbraw/zinc/71/07/95/805710795.db2.gz VJEQOLOLADZRMR-UHFFFAOYSA-N 1 1 276.343 3.091 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001156541475 805711516 /nfs/dbraw/zinc/71/15/16/805711516.db2.gz WHLFSQCUNHIDBB-BZUAXINKSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1c(F)cccc1Cl ZINC001156553293 805714239 /nfs/dbraw/zinc/71/42/39/805714239.db2.gz FEEYABDOEQMPFY-LLVKDONJSA-N 1 1 298.789 3.105 20 30 CGEDMO C=CCCCCc1[nH]c2cc3c(cc2[nH+]1)OCCO3 ZINC001250613890 805724926 /nfs/dbraw/zinc/72/49/26/805724926.db2.gz DWNOYLUSVCKEOA-UHFFFAOYSA-N 1 1 258.321 3.233 20 30 CGEDMO Cc1[nH+]c(N[C@@H](C)c2ccc(F)cn2)ccc1CC#N ZINC001156679275 805725368 /nfs/dbraw/zinc/72/53/68/805725368.db2.gz PRKYWEJLYIEAJN-NSHDSACASA-N 1 1 270.311 3.163 20 30 CGEDMO Cc1c[nH+]c(NCc2ccccc2C#N)nc1NCC1CC1 ZINC001156784338 805734070 /nfs/dbraw/zinc/73/40/70/805734070.db2.gz MYAJHWGOFUMUOC-UHFFFAOYSA-N 1 1 293.374 3.091 20 30 CGEDMO C=C[C@H](C(=O)NC[C@@H](C)[N@H+](CC)CCC)c1ccccc1 ZINC001157058414 805772638 /nfs/dbraw/zinc/77/26/38/805772638.db2.gz WGAUMUAKWONIJM-WBVHZDCISA-N 1 1 288.435 3.193 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](CCCC)C(C)C ZINC001157159392 805786244 /nfs/dbraw/zinc/78/62/44/805786244.db2.gz ZYVKSNWGPLFQRL-CVEARBPZSA-N 1 1 282.472 3.461 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(F)s1 ZINC001157255184 805794056 /nfs/dbraw/zinc/79/40/56/805794056.db2.gz FJQGVQAWXJZAAH-GFCCVEGCSA-N 1 1 298.427 3.294 20 30 CGEDMO C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](CC)CCCC ZINC001157577849 805836711 /nfs/dbraw/zinc/83/67/11/805836711.db2.gz FYWOOQFHWNCATK-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC1=CCCCC1 ZINC001157680758 805851736 /nfs/dbraw/zinc/85/17/36/805851736.db2.gz YTIFGARZLZFZTB-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO Cc1ccc(-c2nc3ccc(C[NH+](C)C)cc3[nH]2)c(C#N)c1 ZINC001251240145 805870591 /nfs/dbraw/zinc/87/05/91/805870591.db2.gz SXDSCJQNTFFWRU-UHFFFAOYSA-N 1 1 290.370 3.472 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)C=C1CCC1 ZINC001157792123 805871799 /nfs/dbraw/zinc/87/17/99/805871799.db2.gz YSWSTWSCXXJMMT-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO Cc1ccc(CC#N)c(N2CCC3(CCOC3(C)C)CC2)[nH+]1 ZINC001157806423 805876275 /nfs/dbraw/zinc/87/62/75/805876275.db2.gz WYGMMOXXQTWRNN-UHFFFAOYSA-N 1 1 299.418 3.242 20 30 CGEDMO C#CCCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)CC(=C)C ZINC001157850386 805886940 /nfs/dbraw/zinc/88/69/40/805886940.db2.gz OEGMSTQMVLBSSD-QGZVFWFLSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C(C)=C1CCC1 ZINC001157919303 805903013 /nfs/dbraw/zinc/90/30/13/805903013.db2.gz AWRZVFJVBDZEEE-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1c(C)coc1C ZINC001157908525 805902227 /nfs/dbraw/zinc/90/22/27/805902227.db2.gz WCZHAYSMCAKFDB-OAHLLOKOSA-N 1 1 290.407 3.009 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)/C=C(\C)CC ZINC001157920345 805902671 /nfs/dbraw/zinc/90/26/71/805902671.db2.gz WJLZLAAKWUSIQN-NRMKIYEFSA-N 1 1 298.858 3.408 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)/C=C(\C)CC ZINC001157920345 805902677 /nfs/dbraw/zinc/90/26/77/805902677.db2.gz WJLZLAAKWUSIQN-NRMKIYEFSA-N 1 1 298.858 3.408 20 30 CGEDMO CCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C#CC(C)C ZINC001157939843 805904985 /nfs/dbraw/zinc/90/49/85/805904985.db2.gz NOTBBKHXIUHEMR-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[C@H](C)CC ZINC001158640914 805980031 /nfs/dbraw/zinc/98/00/31/805980031.db2.gz ZMZSVSJATBACCY-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO C#CCCCCCC(=O)N1CC[N@H+](C)C2(CCCCC2)C1 ZINC001158703642 805987362 /nfs/dbraw/zinc/98/73/62/805987362.db2.gz QEPLXOPYRRRDPC-UHFFFAOYSA-N 1 1 290.451 3.047 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCCO[C@@H](C)C1 ZINC001252121945 806009228 /nfs/dbraw/zinc/00/92/28/806009228.db2.gz NNWCURUVMSFFOW-HOTGVXAUSA-N 1 1 271.445 3.209 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+](C)[C@H]1CC[C@H](O)CC1 ZINC001252123809 806011419 /nfs/dbraw/zinc/01/14/19/806011419.db2.gz LZNCEWGNJJXIIZ-ULQDDVLXSA-N 1 1 285.472 3.333 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+]1CCC[C@@H](C#N)C1 ZINC001252129688 806016257 /nfs/dbraw/zinc/01/62/57/806016257.db2.gz BHKRRGFJMGOETK-HOTGVXAUSA-N 1 1 266.429 3.333 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@@H](C#N)C1 ZINC001252129688 806016266 /nfs/dbraw/zinc/01/62/66/806016266.db2.gz BHKRRGFJMGOETK-HOTGVXAUSA-N 1 1 266.429 3.333 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](C[C@H](O)CCCCCCCC)C1 ZINC001252129812 806016284 /nfs/dbraw/zinc/01/62/84/806016284.db2.gz FCBUDIZIDAZTJD-IAGOWNOFSA-N 1 1 265.441 3.443 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001252129765 806016709 /nfs/dbraw/zinc/01/67/09/806016709.db2.gz DGFRGJXIWRCSFE-FPCVCCKLSA-N 1 1 271.420 3.245 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CC[C@@H](OCC)C1 ZINC001252132790 806017214 /nfs/dbraw/zinc/01/72/14/806017214.db2.gz LQVRNEWVTZIKEP-HZPDHXFCSA-N 1 1 271.445 3.209 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CC[C@](C)(C#N)C1 ZINC001252134129 806021251 /nfs/dbraw/zinc/02/12/51/806021251.db2.gz VNUKKXDGOKXBMK-HZPDHXFCSA-N 1 1 266.429 3.333 20 30 CGEDMO CCCCCCCC[C@@H](O)C[NH2+]C1CCN(CC)CC1 ZINC001252136081 806021619 /nfs/dbraw/zinc/02/16/19/806021619.db2.gz LYGJDBFDPVWVTF-QGZVFWFLSA-N 1 1 284.488 3.172 20 30 CGEDMO Cc1ccc(CC#N)c(NCCC(=O)c2ccccc2)[nH+]1 ZINC001159022891 806033084 /nfs/dbraw/zinc/03/30/84/806033084.db2.gz IVDODQQACZXBBQ-UHFFFAOYSA-N 1 1 279.343 3.141 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+](C)Cc1c(Cl)cccc1Cl ZINC001252554780 806062660 /nfs/dbraw/zinc/06/26/60/806062660.db2.gz LRIGEAHIECGIAC-CYBMUJFWSA-N 1 1 274.191 3.362 20 30 CGEDMO C=C[C@@](C)(O)C[N@@H+](C)Cc1c(Cl)cccc1Cl ZINC001252554780 806062668 /nfs/dbraw/zinc/06/26/68/806062668.db2.gz LRIGEAHIECGIAC-CYBMUJFWSA-N 1 1 274.191 3.362 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1CCSC[C@@H]1c1cccc(Cl)c1 ZINC001252561186 806066431 /nfs/dbraw/zinc/06/64/31/806066431.db2.gz YHUZOXRPBWNUHC-CABCVRRESA-N 1 1 297.851 3.367 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)CC(C)(C)C)CC1 ZINC001159287179 806074890 /nfs/dbraw/zinc/07/48/90/806074890.db2.gz XQCKGMHABHUONA-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccccn1 ZINC001252593501 806079267 /nfs/dbraw/zinc/07/92/67/806079267.db2.gz JAENYOQEKUBPLK-IBGZPJMESA-N 1 1 296.414 3.411 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H](Oc2ccccc2C)C1 ZINC001252599687 806081969 /nfs/dbraw/zinc/08/19/69/806081969.db2.gz FPWQDBMAQZZWIH-SJORKVTESA-N 1 1 289.419 3.165 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC001252602671 806083690 /nfs/dbraw/zinc/08/36/90/806083690.db2.gz DOZDDNFPICRTSC-HOTGVXAUSA-N 1 1 251.414 3.216 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](C)[C@H](CCC)C(=O)c1ccccc1 ZINC001252603619 806083730 /nfs/dbraw/zinc/08/37/30/806083730.db2.gz CGCMIJKFBGYOQB-DLBZAZTESA-N 1 1 289.419 3.297 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@H](CCC)C(=O)c1ccccc1 ZINC001252603619 806083739 /nfs/dbraw/zinc/08/37/39/806083739.db2.gz CGCMIJKFBGYOQB-DLBZAZTESA-N 1 1 289.419 3.297 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)/C=C(/C)C2CC2)CC1 ZINC001159444580 806103315 /nfs/dbraw/zinc/10/33/15/806103315.db2.gz CRZCQASHOPXFIZ-QINSGFPZSA-N 1 1 288.435 3.057 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[N@H+]1CC[C@@](C)(O)C1 ZINC001252979282 806144166 /nfs/dbraw/zinc/14/41/66/806144166.db2.gz JPAGNSFCVCAKEJ-DLBZAZTESA-N 1 1 285.472 3.335 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[N@H+]1CCC[C@H](O)C1 ZINC001252979659 806145600 /nfs/dbraw/zinc/14/56/00/806145600.db2.gz MCWQAKMXWLYRGV-IRXDYDNUSA-N 1 1 285.472 3.335 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001253236333 806188668 /nfs/dbraw/zinc/18/86/68/806188668.db2.gz SBSYEVYWJPQKIJ-ILXRZTDVSA-N 1 1 287.394 3.461 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1CCCC[C@](C)(O)C1 ZINC001253233446 806187219 /nfs/dbraw/zinc/18/72/19/806187219.db2.gz FOPCZEWXHRETJR-SJORKVTESA-N 1 1 283.456 3.111 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CCCC[C@@](C)(O)C1 ZINC001253233443 806187563 /nfs/dbraw/zinc/18/75/63/806187563.db2.gz FOPCZEWXHRETJR-DLBZAZTESA-N 1 1 283.456 3.111 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC001253238716 806190115 /nfs/dbraw/zinc/19/01/15/806190115.db2.gz DSNTVUQELZLYQD-HRCADAONSA-N 1 1 265.441 3.462 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC001253239362 806190446 /nfs/dbraw/zinc/19/04/46/806190446.db2.gz MJCSCKORBUSPNB-IAGOWNOFSA-N 1 1 278.440 3.500 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1CCOC[C@H]1C(C)C ZINC001253240405 806192142 /nfs/dbraw/zinc/19/21/42/806192142.db2.gz KPOVCBUNUZIVPW-SJORKVTESA-N 1 1 283.456 3.231 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+](C)[C@H](C(=O)OC)C(C)C ZINC001253241507 806192235 /nfs/dbraw/zinc/19/22/35/806192235.db2.gz XFCGPKYXZVZCOG-CVEARBPZSA-N 1 1 299.455 3.003 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[NH2+]CCCN1CCCCC1 ZINC001253251847 806196848 /nfs/dbraw/zinc/19/68/48/806196848.db2.gz PALBWLWNHPIVAF-GOSISDBHSA-N 1 1 296.499 3.340 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CCNC(=O)/C=C(\C)CC)CC1 ZINC001160042425 806218282 /nfs/dbraw/zinc/21/82/82/806218282.db2.gz CYCUOPXSXXZZJM-FOCLMDBBSA-N 1 1 290.451 3.447 20 30 CGEDMO C=C[C@H](O)C[N@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC001253567659 806260808 /nfs/dbraw/zinc/26/08/08/806260808.db2.gz QMCPHTLBFJOMMZ-KBPBESRZSA-N 1 1 296.208 3.133 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H](C)C2CCC2)CC1 ZINC001160462969 806275548 /nfs/dbraw/zinc/27/55/48/806275548.db2.gz UMPNIAJOTBFAMU-OAHLLOKOSA-N 1 1 290.451 3.137 20 30 CGEDMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1nccc(Cl)c1C#N)C2 ZINC001160469204 806276007 /nfs/dbraw/zinc/27/60/07/806276007.db2.gz RALPYGRQNXNIKF-CNDDSTCGSA-N 1 1 290.798 3.034 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H](C)C(C)(C)C)CC1 ZINC001160491346 806279255 /nfs/dbraw/zinc/27/92/55/806279255.db2.gz CMHXGTYDSVTKDK-HNNXBMFYSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C/C(C)=C/CC(=O)NCCC1=CC[N@@H+](CC(=C)C)CC1 ZINC001160923514 806323799 /nfs/dbraw/zinc/32/37/99/806323799.db2.gz XPORHTKZJAHGIB-OMCISZLKSA-N 1 1 288.435 3.223 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)CC(C)=C(C)C)CC1 ZINC001160937362 806325622 /nfs/dbraw/zinc/32/56/22/806325622.db2.gz ATGRUQWQBANIJU-UHFFFAOYSA-N 1 1 290.451 3.447 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1cc(C)c(Cl)cn1 ZINC001160953118 806326122 /nfs/dbraw/zinc/32/61/22/806326122.db2.gz RPIBAOZJTONJHM-LBPRGKRZSA-N 1 1 265.788 3.106 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NCCC1=CC[N@@H+](CC(=C)C)CC1 ZINC001160960856 806327984 /nfs/dbraw/zinc/32/79/84/806327984.db2.gz ACNSMWBVXNEQIM-INIZCTEOSA-N 1 1 290.451 3.303 20 30 CGEDMO C#CCOc1ccccc1C[N@H+](C)[C@@H]1CC[C@H](SC)C1 ZINC001254018734 806329029 /nfs/dbraw/zinc/32/90/29/806329029.db2.gz OTCCHCVHGMSTSX-CVEARBPZSA-N 1 1 289.444 3.415 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1CNc1cccc(C2CC2)n1 ZINC001160957544 806329457 /nfs/dbraw/zinc/32/94/57/806329457.db2.gz MYDWZIPLOBKWGN-AWEZNQCLSA-N 1 1 257.381 3.021 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1ncnc2cccc(C)c21 ZINC001160953458 806329589 /nfs/dbraw/zinc/32/95/89/806329589.db2.gz BIGATPJJYAXDST-AWEZNQCLSA-N 1 1 282.391 3.001 20 30 CGEDMO C=C[C@H](CC)CC(=O)NCCC1=CC[N@H+](C(C)C)CC1 ZINC001160967672 806329927 /nfs/dbraw/zinc/32/99/27/806329927.db2.gz MNNQMPKUUCBGJP-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)C(C)(C)CCC)CC1 ZINC001161077607 806347541 /nfs/dbraw/zinc/34/75/41/806347541.db2.gz LRDVQEKAAIICLA-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCCC1=CC[N@@H+](CC(=C)C)CC1 ZINC001161116702 806350257 /nfs/dbraw/zinc/35/02/57/806350257.db2.gz PBHUABUSDYBBRM-SFHVURJKSA-N 1 1 290.451 3.303 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)C2(CCCC)CC2)CC1 ZINC001161112716 806351249 /nfs/dbraw/zinc/35/12/49/806351249.db2.gz KHCIQPAZQJSHSZ-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO CCCCOC(=O)CC[C@@H](C)[N@@H+](CCC)CCC#N ZINC001257398871 807137519 /nfs/dbraw/zinc/13/75/19/807137519.db2.gz STNSYFYRVPISAO-CQSZACIVSA-N 1 1 268.401 3.124 20 30 CGEDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](CC#N)C1 ZINC001254558489 806449814 /nfs/dbraw/zinc/44/98/14/806449814.db2.gz BTBDNCNRPNQPBM-KBPBESRZSA-N 1 1 287.363 3.151 20 30 CGEDMO CC#CC[N@@H+]1CC=C(CCNC(=O)CCCCCC)CC1 ZINC001161809401 806459285 /nfs/dbraw/zinc/45/92/85/806459285.db2.gz WCUFFLJAABRPCI-UHFFFAOYSA-N 1 1 290.451 3.119 20 30 CGEDMO COC(=O)c1cccc([C@@H]2CCC[N@H+]2[C@@H]2CC[C@@H](C#N)C2)c1 ZINC001254675484 806482872 /nfs/dbraw/zinc/48/28/72/806482872.db2.gz FTFZNQSIMCECTN-XYPHTWIQSA-N 1 1 298.386 3.302 20 30 CGEDMO N#Cc1ccc(O[C@@H]2CCC[N@H+]([C@@H]3CC[C@H](C#N)C3)C2)cc1 ZINC001254676833 806484336 /nfs/dbraw/zinc/48/43/36/806484336.db2.gz OGTRHBUQUYGLIM-LZLYRXPVSA-N 1 1 295.386 3.094 20 30 CGEDMO CC(C)(C#N)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255121787 806548980 /nfs/dbraw/zinc/54/89/80/806548980.db2.gz GOCHBYPQEFMOQW-OSYLJGHBSA-N 1 1 283.419 3.074 20 30 CGEDMO N#C[C@H]1CCN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255145848 806553120 /nfs/dbraw/zinc/55/31/20/806553120.db2.gz VYRQHUOTNJZXTK-YRXWBPOGSA-N 1 1 295.430 3.027 20 30 CGEDMO CC[C@@H](CC#N)[NH2+][C@@H](CCO)c1cccc(Cl)c1 ZINC001255154086 806554540 /nfs/dbraw/zinc/55/45/40/806554540.db2.gz BHSJAHDSKVSYEC-KBPBESRZSA-N 1 1 266.772 3.045 20 30 CGEDMO CC[C@H](CC#N)[NH2+][C@@H](c1ccnc(Cl)c1)C1CC1 ZINC001255156174 806557007 /nfs/dbraw/zinc/55/70/07/806557007.db2.gz FVBBEFVMVHQOAP-TZMCWYRMSA-N 1 1 263.772 3.468 20 30 CGEDMO CC[C@@H](CC#N)[N@H+]1CC[C@H](c2ccccc2OC)C1 ZINC001255164331 806562056 /nfs/dbraw/zinc/56/20/56/806562056.db2.gz JOURMCAIXOJOIG-KBPBESRZSA-N 1 1 258.365 3.177 20 30 CGEDMO CC[C@@H](CC#N)[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC001255172954 806566465 /nfs/dbraw/zinc/56/64/65/806566465.db2.gz UOZAYMOILROVIA-AWEZNQCLSA-N 1 1 276.355 3.361 20 30 CGEDMO CC[C@H](CC#N)[NH+]1CCC(OC)(c2ccccc2)CC1 ZINC001255175591 806568711 /nfs/dbraw/zinc/56/87/11/806568711.db2.gz RPWXZVZRSKRMHP-MRXNPFEDSA-N 1 1 272.392 3.316 20 30 CGEDMO C#CCCCNc1ccc([C@@H]2CCCC[N@@H+]2C)cn1 ZINC001162439927 806586166 /nfs/dbraw/zinc/58/61/66/806586166.db2.gz GRFBECVPDPTROU-HNNXBMFYSA-N 1 1 257.381 3.064 20 30 CGEDMO CCCCCCCC[N@@H+](CCN)[C@H]1CCSC1 ZINC001255277839 806590657 /nfs/dbraw/zinc/59/06/57/806590657.db2.gz XNZPAIXHSFRCJC-AWEZNQCLSA-N 1 1 258.475 3.113 20 30 CGEDMO CCCCCCCCN(CC[NH3+])[C@H]1CCSC1 ZINC001255277839 806590662 /nfs/dbraw/zinc/59/06/62/806590662.db2.gz XNZPAIXHSFRCJC-AWEZNQCLSA-N 1 1 258.475 3.113 20 30 CGEDMO CCCC[C@@H](C)[N@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001255329607 806616756 /nfs/dbraw/zinc/61/67/56/806616756.db2.gz NHLZPNPSDLKZHK-OAHLLOKOSA-N 1 1 286.423 3.044 20 30 CGEDMO CC(C)[C@H](C)[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC000036787282 798850704 /nfs/dbraw/zinc/85/07/04/798850704.db2.gz OEIRSFVVIRZRNL-AWEZNQCLSA-N 1 1 260.381 3.303 20 30 CGEDMO CCOc1ccc2c(c1)C[N@H+](CCCCC#N)CC2 ZINC000102399030 798977011 /nfs/dbraw/zinc/97/70/11/798977011.db2.gz BEKOXZJLVCDHRW-UHFFFAOYSA-N 1 1 258.365 3.137 20 30 CGEDMO C#C[C@](C)(CC)[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000384193124 799413029 /nfs/dbraw/zinc/41/30/29/799413029.db2.gz IBQVVDDFBSNYET-OAHLLOKOSA-N 1 1 271.389 3.097 20 30 CGEDMO C=CC[N@H+](Cc1c(F)ccc(N)c1F)C(C)(C)C ZINC000386340323 799435353 /nfs/dbraw/zinc/43/53/53/799435353.db2.gz LLGLUGKHZVBHJI-UHFFFAOYSA-N 1 1 254.324 3.334 20 30 CGEDMO C=CC[N@@H+](Cc1c(F)ccc(N)c1F)C(C)(C)C ZINC000386340323 799435358 /nfs/dbraw/zinc/43/53/58/799435358.db2.gz LLGLUGKHZVBHJI-UHFFFAOYSA-N 1 1 254.324 3.334 20 30 CGEDMO C#C[C@@H](CC)[NH2+]Cc1ccsc1Br ZINC000388407173 799453116 /nfs/dbraw/zinc/45/31/16/799453116.db2.gz ULCWQBLBPZVCAN-VIFPVBQESA-N 1 1 258.184 3.012 20 30 CGEDMO CSCCO[NH+]=C(C)c1ccc(N)cc1Cl ZINC000393788864 799491291 /nfs/dbraw/zinc/49/12/91/799491291.db2.gz XJWLGUVEJJZXPH-UHFFFAOYSA-N 1 1 258.774 3.026 20 30 CGEDMO C[C@@H]1C[C@@H](NCC#CC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000398175863 799528081 /nfs/dbraw/zinc/52/80/81/799528081.db2.gz VUDMAHIDVHSXQP-SJLPKXTDSA-N 1 1 284.447 3.289 20 30 CGEDMO C[C@@H]1C[C@@H](NCC#CC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000398175863 799528084 /nfs/dbraw/zinc/52/80/84/799528084.db2.gz VUDMAHIDVHSXQP-SJLPKXTDSA-N 1 1 284.447 3.289 20 30 CGEDMO N#Cc1ccc(OCCC[N@H+]2CCC[C@@H]2C2CC2)cc1 ZINC000706660691 799964881 /nfs/dbraw/zinc/96/48/81/799964881.db2.gz KKKGHODQOCCSST-QGZVFWFLSA-N 1 1 270.376 3.202 20 30 CGEDMO N#Cc1cncc(C[N@H+](Cc2cccs2)C2CC2)c1 ZINC000721560926 800294556 /nfs/dbraw/zinc/29/45/56/800294556.db2.gz YZFBOYILHKAJDR-UHFFFAOYSA-N 1 1 269.373 3.179 20 30 CGEDMO N#Cc1cncc(C[N@@H+](Cc2cccs2)C2CC2)c1 ZINC000721560926 800294560 /nfs/dbraw/zinc/29/45/60/800294560.db2.gz YZFBOYILHKAJDR-UHFFFAOYSA-N 1 1 269.373 3.179 20 30 CGEDMO CCC[N@@H+](Cc1ccccc1)Cc1cncc(C#N)c1 ZINC000721600822 800296664 /nfs/dbraw/zinc/29/66/64/800296664.db2.gz AUWZKFJZSCKGNW-UHFFFAOYSA-N 1 1 265.360 3.365 20 30 CGEDMO C[C@H](CNc1nc(Cl)c(C#N)s1)[N@H+]1CCC[C@H](C)C1 ZINC000804350356 800397654 /nfs/dbraw/zinc/39/76/54/800397654.db2.gz ZPBHGOPKOLSOAH-VHSXEESVSA-N 1 1 298.843 3.200 20 30 CGEDMO C#CC[N@H+](C)[C@H](C)CCc1ccc(Br)cc1 ZINC001256226202 806851520 /nfs/dbraw/zinc/85/15/20/806851520.db2.gz NYCWFFHTCIOVBD-GFCCVEGCSA-N 1 1 280.209 3.335 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1nccn1-c1ccccc1 ZINC000934459545 800678190 /nfs/dbraw/zinc/67/81/90/800678190.db2.gz DEFBJUDSNSGPKA-CQSZACIVSA-N 1 1 253.349 3.023 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1nccn1-c1ccccc1 ZINC000934459545 800678194 /nfs/dbraw/zinc/67/81/94/800678194.db2.gz DEFBJUDSNSGPKA-CQSZACIVSA-N 1 1 253.349 3.023 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC3(C)C)CCC[C@H]12 ZINC000992130822 800694904 /nfs/dbraw/zinc/69/49/04/800694904.db2.gz LXAZTOVAJZGLSD-RLFYNMQTSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)ccc2C)[C@@H]1C ZINC000994298934 800696025 /nfs/dbraw/zinc/69/60/25/800696025.db2.gz UWIXXZMSFWUBDG-DOTOQJQBSA-N 1 1 286.419 3.072 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cscc2C)C1 ZINC001023291887 800708713 /nfs/dbraw/zinc/70/87/13/800708713.db2.gz MSLXEKGNZZGTEH-AWEZNQCLSA-N 1 1 292.448 3.074 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)C2CCC(=C)CC2)C1 ZINC001023571522 800712138 /nfs/dbraw/zinc/71/21/38/800712138.db2.gz MYAODFAWMSHVER-INIZCTEOSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](CNC(=O)C2CCC(=C)CC2)C1 ZINC001023573014 800712402 /nfs/dbraw/zinc/71/24/02/800712402.db2.gz RDZXTGAKNRYUMV-MRXNPFEDSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](CNC(=O)c2csc(Cl)c2)C1 ZINC001023631987 800714090 /nfs/dbraw/zinc/71/40/90/800714090.db2.gz AGNPAAAZULCJLI-NSHDSACASA-N 1 1 298.839 3.029 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC001024380990 800727069 /nfs/dbraw/zinc/72/70/69/800727069.db2.gz UZNGCNLECXJUEE-CQSZACIVSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC001024607516 800731509 /nfs/dbraw/zinc/73/15/09/800731509.db2.gz CVAQBAJVGJNRQI-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC1(C)C ZINC001024612556 800732320 /nfs/dbraw/zinc/73/23/20/800732320.db2.gz QHJMRUZGVVNVMS-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC001024632097 800734324 /nfs/dbraw/zinc/73/43/24/800734324.db2.gz SNZWTYDOJPEZLA-KRWDZBQOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1CCC1 ZINC001025188024 800745677 /nfs/dbraw/zinc/74/56/77/800745677.db2.gz GSHKGXLZLHRWME-SJORKVTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCC ZINC001025191253 800746528 /nfs/dbraw/zinc/74/65/28/800746528.db2.gz HBUASAPHKPGOFN-CVEARBPZSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)c1ccccc1 ZINC001025191485 800746812 /nfs/dbraw/zinc/74/68/12/800746812.db2.gz JQUWXRMGJPQSDD-ZWKOTPCHSA-N 1 1 298.430 3.332 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)c1ccccc1 ZINC001025191483 800747257 /nfs/dbraw/zinc/74/72/57/800747257.db2.gz JQUWXRMGJPQSDD-QZTJIDSGSA-N 1 1 298.430 3.332 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)C ZINC001025204135 800747971 /nfs/dbraw/zinc/74/79/71/800747971.db2.gz MTMUOQBJORJGNH-HOTGVXAUSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1=CCCC1 ZINC001025220598 800750394 /nfs/dbraw/zinc/75/03/94/800750394.db2.gz IANTZPOJWRGTHD-IAGOWNOFSA-N 1 1 288.435 3.128 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC1(C)CC1 ZINC001025250752 800751259 /nfs/dbraw/zinc/75/12/59/800751259.db2.gz DWTRWDPJXUFUSK-HOTGVXAUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1(C)CCC1 ZINC001025260627 800752399 /nfs/dbraw/zinc/75/23/99/800752399.db2.gz YPHCMBVXEXUCJU-JKSUJKDBSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2oc(C)cc2C)C1 ZINC001027356665 800794053 /nfs/dbraw/zinc/79/40/53/800794053.db2.gz MBOYORZXLSNUQX-OAHLLOKOSA-N 1 1 290.407 3.009 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001027877864 800822894 /nfs/dbraw/zinc/82/28/94/800822894.db2.gz BLCUJNMAJSYVRI-CVEARBPZSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C2CCC2)cc1 ZINC001027918574 800825845 /nfs/dbraw/zinc/82/58/45/800825845.db2.gz OSRRUTDYIMIBBX-SFHVURJKSA-N 1 1 298.430 3.334 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1CNC(=O)C1CCCCCCC1 ZINC001028017107 800828380 /nfs/dbraw/zinc/82/83/80/800828380.db2.gz QLDSWQFWEASZAD-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC=CCCC1 ZINC001027966801 800829051 /nfs/dbraw/zinc/82/90/51/800829051.db2.gz LKFMGCKVDHQBBA-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)C1CC2(CCC2)C1 ZINC001028082527 800829843 /nfs/dbraw/zinc/82/98/43/800829843.db2.gz JDFCGAGTBSRRTD-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C1CCC(C(=O)NC[C@H]2CCC[N@H+]2C/C=C\Cl)CC1 ZINC001028116036 800832425 /nfs/dbraw/zinc/83/24/25/800832425.db2.gz BIDNLZGEBRFRDC-ACRUDFBXSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C1CCC(C(=O)NC[C@H]2CCC[N@@H+]2C/C=C\Cl)CC1 ZINC001028116036 800832430 /nfs/dbraw/zinc/83/24/30/800832430.db2.gz BIDNLZGEBRFRDC-ACRUDFBXSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C2CC2)cc1 ZINC001028329194 800843192 /nfs/dbraw/zinc/84/31/92/800843192.db2.gz HZBODUYJXHFIRG-SFHVURJKSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC(C)(C)C1 ZINC001028341149 800844782 /nfs/dbraw/zinc/84/47/82/800844782.db2.gz ZUAYXBDBJPXSNY-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](CNC(=O)c2sccc2Cl)C1 ZINC001028557016 800850857 /nfs/dbraw/zinc/85/08/57/800850857.db2.gz ARHYVCSSOVZAAO-LLVKDONJSA-N 1 1 298.839 3.029 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](CNC(=O)c2occc2C(C)C)C1 ZINC001028757927 800851886 /nfs/dbraw/zinc/85/18/86/800851886.db2.gz LFFOFYOGJHSVAP-CQSZACIVSA-N 1 1 290.407 3.031 20 30 CGEDMO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001029422081 800867921 /nfs/dbraw/zinc/86/79/21/800867921.db2.gz UBJODDFNXGWAOR-IYBDPMFKSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)C ZINC001029419818 800868278 /nfs/dbraw/zinc/86/82/78/800868278.db2.gz JYBCFNFCQLKSGK-IYBDPMFKSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H](C)F ZINC001029453780 800869087 /nfs/dbraw/zinc/86/90/87/800869087.db2.gz KRQANSOEFIPPLK-AIANPOQGSA-N 1 1 296.430 3.012 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001029456712 800869170 /nfs/dbraw/zinc/86/91/70/800869170.db2.gz OULZMIGYXLHQBG-SOLBZPMBSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)C2CC2)C1 ZINC001029918439 800878336 /nfs/dbraw/zinc/87/83/36/800878336.db2.gz DAOQSAFKDVXIKJ-GOSISDBHSA-N 1 1 298.430 3.076 20 30 CGEDMO C=C1CC(C)(C(=O)NC2C[NH+]([C@H](C)c3cccc(C)c3)C2)C1 ZINC001030924072 800902730 /nfs/dbraw/zinc/90/27/30/800902730.db2.gz ILXCNFWSQAYPFP-OAHLLOKOSA-N 1 1 298.430 3.213 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C2CC2)cc1 ZINC001032796729 800937440 /nfs/dbraw/zinc/93/74/40/800937440.db2.gz OUAVZFIICPICTP-ROUUACIJSA-N 1 1 296.414 3.039 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C2CC2)cc1 ZINC001032796729 800937448 /nfs/dbraw/zinc/93/74/48/800937448.db2.gz OUAVZFIICPICTP-ROUUACIJSA-N 1 1 296.414 3.039 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001033097331 800953198 /nfs/dbraw/zinc/95/31/98/800953198.db2.gz XTFAPDNIJCPWBZ-HRCADAONSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2cscc2Cl)C1 ZINC001033170838 800954231 /nfs/dbraw/zinc/95/42/31/800954231.db2.gz ZCRGTFSXZMZDBC-NSHDSACASA-N 1 1 298.839 3.124 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)c(C)c2)C1 ZINC001033634798 800971850 /nfs/dbraw/zinc/97/18/50/800971850.db2.gz YMPISQTUMXJBPV-QGZVFWFLSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C3CC3)cc2)C1 ZINC001033679029 800973003 /nfs/dbraw/zinc/97/30/03/800973003.db2.gz RYTVEJWWOUGFCF-GOSISDBHSA-N 1 1 298.430 3.286 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cscc2C)C1 ZINC001033789638 800981882 /nfs/dbraw/zinc/98/18/82/800981882.db2.gz PDGOTWKDPPXVNV-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)C2CCCCCC2)C1 ZINC001033774785 800981891 /nfs/dbraw/zinc/98/18/91/800981891.db2.gz RTGZMVQQFHBGET-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)C2=CCCCCC2)C1 ZINC001033807616 800983838 /nfs/dbraw/zinc/98/38/38/800983838.db2.gz MZDFMGWBXCMNKO-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001033927823 800989537 /nfs/dbraw/zinc/98/95/37/800989537.db2.gz QNRUECBSFOTAKK-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C1CCC(C(=O)N(CC)[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC001033950490 800990619 /nfs/dbraw/zinc/99/06/19/800990619.db2.gz OTJOTSWCCPOAEC-INIZCTEOSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](CCCC)C2)CC1 ZINC001033949350 800990629 /nfs/dbraw/zinc/99/06/29/800990629.db2.gz GRFNWYRQNVXAFS-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001034051695 800996716 /nfs/dbraw/zinc/99/67/16/800996716.db2.gz YUTZVTMHWGPEAO-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)c2cccs2)C1 ZINC001034086087 801001719 /nfs/dbraw/zinc/00/17/19/801001719.db2.gz VREIZSDNUFORLY-AWEZNQCLSA-N 1 1 292.448 3.299 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001034162455 801009891 /nfs/dbraw/zinc/00/98/91/801009891.db2.gz SNLREUFLMAASQQ-OAHLLOKOSA-N 1 1 294.414 3.331 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001034222371 801012857 /nfs/dbraw/zinc/01/28/57/801012857.db2.gz CLKHAIYLTMQPGV-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)C[C@H]2C=CCCC2)C1 ZINC001034265724 801014864 /nfs/dbraw/zinc/01/48/64/801014864.db2.gz LRFCCFHRQAOECL-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001034263725 801014875 /nfs/dbraw/zinc/01/48/75/801014875.db2.gz BLQQYFZBUALSBQ-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H](C)C2CCC2)C1 ZINC001034263706 801014924 /nfs/dbraw/zinc/01/49/24/801014924.db2.gz BCASFCMMWMWLQJ-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC2(C)C)C1 ZINC001034349500 801017813 /nfs/dbraw/zinc/01/78/13/801017813.db2.gz AJQPUQTUAPYUQK-KBPBESRZSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC2(C)C)C1 ZINC001034349500 801017819 /nfs/dbraw/zinc/01/78/19/801017819.db2.gz AJQPUQTUAPYUQK-KBPBESRZSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001034354563 801019574 /nfs/dbraw/zinc/01/95/74/801019574.db2.gz MUCWIRQZFUTBNU-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CC[N@@H+]1CCCC[C@H](NC(=O)c2cccc(C(C)C)c2)C1 ZINC001034472805 801028464 /nfs/dbraw/zinc/02/84/64/801028464.db2.gz ZUGQFKXRQSEJQY-SFHVURJKSA-N 1 1 298.430 3.028 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc(F)s2)C1 ZINC001034553063 801033870 /nfs/dbraw/zinc/03/38/70/801033870.db2.gz SAWFZFOZSBYFDS-GFCCVEGCSA-N 1 1 296.411 3.048 20 30 CGEDMO C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)CC1CCC1)CC2 ZINC001035172715 801053454 /nfs/dbraw/zinc/05/34/54/801053454.db2.gz RPFSRXMZMVPJAD-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C(C)C)CC[C@@H]21 ZINC001036724375 801090509 /nfs/dbraw/zinc/09/05/09/801090509.db2.gz FYTBYEQUCALTKK-CVEARBPZSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)C(C)(CC)CC)CC[C@@H]21 ZINC001036900132 801094403 /nfs/dbraw/zinc/09/44/03/801094403.db2.gz YIYPWHJNKFAENX-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)ccc1C1CC1 ZINC001038548677 801128578 /nfs/dbraw/zinc/12/85/78/801128578.db2.gz BNLFFIUPAAMKFR-MRXNPFEDSA-N 1 1 298.430 3.253 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1cc(Cl)ccc1C ZINC001038821678 801134755 /nfs/dbraw/zinc/13/47/55/801134755.db2.gz BTVFZCIEQPYGGO-CQSZACIVSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1cc(Cl)ccc1C ZINC001038821678 801134761 /nfs/dbraw/zinc/13/47/61/801134761.db2.gz BTVFZCIEQPYGGO-CQSZACIVSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)csc1Cl ZINC001038958159 801137709 /nfs/dbraw/zinc/13/77/09/801137709.db2.gz MGSWWSHBWKOXRC-NSHDSACASA-N 1 1 298.839 3.090 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C2CCCC2)C1 ZINC001039178784 801150573 /nfs/dbraw/zinc/15/05/73/801150573.db2.gz WEJQHNYGRJPDSR-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C(C)C)C1 ZINC001039190404 801151781 /nfs/dbraw/zinc/15/17/81/801151781.db2.gz MBUZEGQHBFXRJX-CABCVRRESA-N 1 1 298.858 3.098 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1CC(C)(C)C1 ZINC001039424054 801161519 /nfs/dbraw/zinc/16/15/19/801161519.db2.gz ZDIJAFAHIZRPRY-CVEARBPZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)cc(C)c1 ZINC001039463221 801162324 /nfs/dbraw/zinc/16/23/24/801162324.db2.gz CDPRJBVMGRIEEE-MSOLQXFVSA-N 1 1 298.430 3.168 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)cc1C ZINC001039466451 801163224 /nfs/dbraw/zinc/16/32/24/801163224.db2.gz LBGBCTQNYFFTQA-SJORKVTESA-N 1 1 298.430 3.168 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C(CC)CC)C2)C1 ZINC001040076896 801172359 /nfs/dbraw/zinc/17/23/59/801172359.db2.gz MAACSMIEOBGHCF-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@]2(C1)CCC[N@H+](CCC)C2 ZINC001040328810 801175724 /nfs/dbraw/zinc/17/57/24/801175724.db2.gz QFDSUNZKRBLFET-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C1CCC(C(=O)N2CC[C@]3(C2)CCC[N@H+](CC)C3)CC1 ZINC001040374123 801176443 /nfs/dbraw/zinc/17/64/43/801176443.db2.gz YZVYYYBQKCMFSS-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)C3(C)CCCC3)C2)C1 ZINC001041519602 801189009 /nfs/dbraw/zinc/18/90/09/801189009.db2.gz JJSNSLJWRQPXQJ-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)C(=C)C)C[C@@H]21 ZINC001042183585 801202085 /nfs/dbraw/zinc/20/20/85/801202085.db2.gz LTNLOYJFUPVDGJ-CVEARBPZSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(C)c(C)c3)C[C@H]21 ZINC001042339994 801205202 /nfs/dbraw/zinc/20/52/02/801205202.db2.gz DADUWXQEXLYVPS-FUHWJXTLSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)CC[NH+]1CC(N(C)C(=O)c2ccc(CC)s2)C1 ZINC001043256379 801219888 /nfs/dbraw/zinc/21/98/88/801219888.db2.gz UQPIGLIPLZBPGB-UHFFFAOYSA-N 1 1 292.448 3.033 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(=C)Cl ZINC001045827787 801287777 /nfs/dbraw/zinc/28/77/77/801287777.db2.gz UHTDAJRNXADUAF-KGLIPLIRSA-N 1 1 296.842 3.016 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(=C)Cl ZINC001045827787 801287782 /nfs/dbraw/zinc/28/77/82/801287782.db2.gz UHTDAJRNXADUAF-KGLIPLIRSA-N 1 1 296.842 3.016 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C)CC)C2 ZINC001045916551 801293727 /nfs/dbraw/zinc/29/37/27/801293727.db2.gz DMBLIAYGLWVYGK-WMZOPIPTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)C(C)C)C2 ZINC001045970471 801297609 /nfs/dbraw/zinc/29/76/09/801297609.db2.gz GEKZFZRXMRUADE-AEFFLSMTSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001046226144 801302628 /nfs/dbraw/zinc/30/26/28/801302628.db2.gz LPYIJLLSRTUXLR-SFHVURJKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001046328372 801306737 /nfs/dbraw/zinc/30/67/37/801306737.db2.gz YTRWHUHSFNKMQA-HDMKZQKVSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001046415836 801309231 /nfs/dbraw/zinc/30/92/31/801309231.db2.gz SUEZDKQXPZJUSV-AEFFLSMTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2cscc2Cl)C1 ZINC001046404123 801310624 /nfs/dbraw/zinc/31/06/24/801310624.db2.gz WKHSRZQVWRYMPM-AWEZNQCLSA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001046550273 801313692 /nfs/dbraw/zinc/31/36/92/801313692.db2.gz FRIZELZJVHSHKR-MAUKXSAKSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)c2occc2CC)C1 ZINC001046594325 801316184 /nfs/dbraw/zinc/31/61/84/801316184.db2.gz CBQQURYSUVYOSX-QGZVFWFLSA-N 1 1 290.407 3.002 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)c2occc2CC)C1 ZINC001046594324 801316888 /nfs/dbraw/zinc/31/68/88/801316888.db2.gz CBQQURYSUVYOSX-KRWDZBQOSA-N 1 1 290.407 3.002 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(C)c(C)c2)C1 ZINC001046816120 801325887 /nfs/dbraw/zinc/32/58/87/801325887.db2.gz DWGCAXQCGCLQQW-GOSISDBHSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2cccc(C3CC3)c2)C1 ZINC001046858067 801330903 /nfs/dbraw/zinc/33/09/03/801330903.db2.gz AIRXYRKAARTBIM-IBGZPJMESA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC(C)(C)C ZINC001049328083 801365259 /nfs/dbraw/zinc/36/52/59/801365259.db2.gz ROSLURURKANBDV-ZIAGYGMSSA-N 1 1 298.858 3.240 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC(C)(C)C ZINC001049328083 801365264 /nfs/dbraw/zinc/36/52/64/801365264.db2.gz ROSLURURKANBDV-ZIAGYGMSSA-N 1 1 298.858 3.240 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(CC)CC ZINC001049345326 801367645 /nfs/dbraw/zinc/36/76/45/801367645.db2.gz UFEQABKYCICKBA-HOTGVXAUSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(CC)CC ZINC001049343603 801367921 /nfs/dbraw/zinc/36/79/21/801367921.db2.gz LGSMGWIPLWCHGB-DLBZAZTESA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1=CCCC1 ZINC001049414218 801370986 /nfs/dbraw/zinc/37/09/86/801370986.db2.gz BVDREQFTUNFLBC-IRXDYDNUSA-N 1 1 288.435 3.128 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2C/C=C/Cl ZINC001049637167 801380723 /nfs/dbraw/zinc/38/07/23/801380723.db2.gz FWCJYVDBRHXFHZ-VVYAQTJFSA-N 1 1 296.842 3.016 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(C)cc1 ZINC001049866125 801390874 /nfs/dbraw/zinc/39/08/74/801390874.db2.gz ZARYAZNSYYOENI-MSOLQXFVSA-N 1 1 298.430 3.250 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccsc2C)CC1 ZINC001052360442 801432554 /nfs/dbraw/zinc/43/25/54/801432554.db2.gz NLTLXFNGIUVXRF-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC3(CC3)C2)CC1 ZINC001052379558 801433577 /nfs/dbraw/zinc/43/35/77/801433577.db2.gz OXRNAZBNWJZXRH-HOTGVXAUSA-N 1 1 290.451 3.114 20 30 CGEDMO C#CC(C)(C)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256523550 806909903 /nfs/dbraw/zinc/90/99/03/806909903.db2.gz PVVHOEVZDPOKCD-DOTOQJQBSA-N 1 1 270.420 3.041 20 30 CGEDMO C#CC(C)(C)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256523550 806909907 /nfs/dbraw/zinc/90/99/07/806909907.db2.gz PVVHOEVZDPOKCD-DOTOQJQBSA-N 1 1 270.420 3.041 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](C[C@H](C)CC)CC2)C1 ZINC001052690793 801446293 /nfs/dbraw/zinc/44/62/93/801446293.db2.gz PPYPGFXSXIUCCR-GDBMZVCRSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CCC[N@@H+](CC3CC3)CC2)CC1 ZINC001052682185 801446399 /nfs/dbraw/zinc/44/63/99/801446399.db2.gz QUJPGFKZKRPFQC-KRWDZBQOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](CCCC)CC2)C1 ZINC001052693466 801447675 /nfs/dbraw/zinc/44/76/75/801447675.db2.gz UAZWRHNLMHDETD-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C[C@@H]1C[C@@H](N2CCC(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256536189 806911555 /nfs/dbraw/zinc/91/15/55/806911555.db2.gz FYBDGMJENBQCHJ-APWZRJJASA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1C[C@@H](N2CCC(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256536189 806911560 /nfs/dbraw/zinc/91/15/60/806911560.db2.gz FYBDGMJENBQCHJ-APWZRJJASA-N 1 1 297.446 3.275 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)F)C2 ZINC001054068043 801470346 /nfs/dbraw/zinc/47/03/46/801470346.db2.gz CKVAGKFXACZMOW-QGZVFWFLSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC1CC1)C2 ZINC001054071308 801470357 /nfs/dbraw/zinc/47/03/57/801470357.db2.gz YWTNVILGZWLLOC-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)C)C2 ZINC001054230946 801479599 /nfs/dbraw/zinc/47/95/99/801479599.db2.gz HICBQOSHSVMVNE-INIZCTEOSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(C)C[N@H+]1Cc2ccc(CNC(=O)c3ccco3)cc2C1 ZINC001054253331 801481321 /nfs/dbraw/zinc/48/13/21/801481321.db2.gz WADIHEDLWROFEM-UHFFFAOYSA-N 1 1 296.370 3.101 20 30 CGEDMO C=C(C)C[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3CC)cc2C1 ZINC001054282158 801484980 /nfs/dbraw/zinc/48/49/80/801484980.db2.gz RXVRGBKHRHODKE-CRAIPNDOSA-N 1 1 298.430 3.241 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC001256553524 806915419 /nfs/dbraw/zinc/91/54/19/806915419.db2.gz HXVPDIPFWPWXLD-QWFCFKBJSA-N 1 1 296.458 3.385 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)s2)CC[C@H]1C ZINC001071299020 801524649 /nfs/dbraw/zinc/52/46/49/801524649.db2.gz DTDQGVRVQSMEJA-OCCSQVGLSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cccc(C)c2)CC[C@@H]1C ZINC001071317241 801526566 /nfs/dbraw/zinc/52/65/66/801526566.db2.gz QCEBRVPGCXJKFK-RDJZCZTQSA-N 1 1 286.419 3.154 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccccc2C)CC[C@H]1C ZINC001071319359 801527915 /nfs/dbraw/zinc/52/79/15/801527915.db2.gz NKPDOUHRUDYKGD-CVEARBPZSA-N 1 1 286.419 3.154 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2cc(C)oc2C)CC[C@@H]1C ZINC001071333780 801529766 /nfs/dbraw/zinc/52/97/66/801529766.db2.gz BDAVOJFKPODJPH-SWLSCSKDSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C)oc2C)CC[C@H]1C ZINC001071334290 801530678 /nfs/dbraw/zinc/53/06/78/801530678.db2.gz DUWGLZIFZUBUML-DOMZBBRYSA-N 1 1 290.407 3.055 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)C=C2CCCCC2)CC[C@@H]1C ZINC001071373729 801533011 /nfs/dbraw/zinc/53/30/11/801533011.db2.gz NQXJAAZPORAYCF-DOTOQJQBSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C2C(C)(C)C2(C)C)CC[C@@H]1C ZINC001071414681 801533885 /nfs/dbraw/zinc/53/38/85/801533885.db2.gz VQKRIPMDHBLPAD-KBPBESRZSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cscc2C)CC[C@H]1C ZINC001071398425 801534511 /nfs/dbraw/zinc/53/45/11/801534511.db2.gz DRNVXKAQBCQUBJ-KGLIPLIRSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccoc2CC)CC[C@H]1C ZINC001071473235 801538331 /nfs/dbraw/zinc/53/83/31/801538331.db2.gz HZXWTRAZUCIUDI-KGLIPLIRSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2c(C)cccc2C)CC[C@@H]1C ZINC001071844436 801555147 /nfs/dbraw/zinc/55/51/47/801555147.db2.gz MGOJGPOBWHNNOF-HOTGVXAUSA-N 1 1 286.419 3.072 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2cccc(Cl)c2)CC[C@@H]1C ZINC001072015449 801561033 /nfs/dbraw/zinc/56/10/33/801561033.db2.gz CZENMDKFKRSZIG-SWLSCSKDSA-N 1 1 292.810 3.109 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2ccc(Cl)s2)CC[C@H]1C ZINC001072049833 801563031 /nfs/dbraw/zinc/56/30/31/801563031.db2.gz RHUHVAJQFZZVFZ-MNOVXSKESA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc(Cl)s2)CC[C@H]1C ZINC001072049833 801563039 /nfs/dbraw/zinc/56/30/39/801563039.db2.gz RHUHVAJQFZZVFZ-MNOVXSKESA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2ccc(C)c(C)c2)CC[C@@H]1C ZINC001072044804 801563681 /nfs/dbraw/zinc/56/36/81/801563681.db2.gz NNHVRFPLBZDPFU-DOTOQJQBSA-N 1 1 286.419 3.072 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2ccc(Cl)s2)CC[C@@H]1C ZINC001072049834 801563920 /nfs/dbraw/zinc/56/39/20/801563920.db2.gz RHUHVAJQFZZVFZ-QWRGUYRKSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc(Cl)s2)CC[C@@H]1C ZINC001072049834 801563926 /nfs/dbraw/zinc/56/39/26/801563926.db2.gz RHUHVAJQFZZVFZ-QWRGUYRKSA-N 1 1 298.839 3.170 20 30 CGEDMO C=C(C)C[N@H+]1CCC2(CN(C(=O)c3c(C)cccc3C)C2)C1 ZINC001073008529 801577284 /nfs/dbraw/zinc/57/72/84/801577284.db2.gz GZUCLLMPJFEREI-UHFFFAOYSA-N 1 1 298.430 3.027 20 30 CGEDMO C=CC[N@@H+]1CCC2(CN(C(=O)C3(CC)CCCCC3)C2)C1 ZINC001073455104 801579808 /nfs/dbraw/zinc/57/98/08/801579808.db2.gz ZFZTXWCZSWYAHK-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001079534226 801645818 /nfs/dbraw/zinc/64/58/18/801645818.db2.gz QEWQUGUQHXXLJZ-ZIAGYGMSSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CC3CCCCC3)[C@@H]2C1 ZINC001084174328 801665698 /nfs/dbraw/zinc/66/56/98/801665698.db2.gz VGQAZHSQDFFJSH-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)C(C)C)C[C@@H]21 ZINC001085048057 801674726 /nfs/dbraw/zinc/67/47/26/801674726.db2.gz BQFSRRDRVDIPOR-ZACQAIPSSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccsc1C ZINC001085586888 801696644 /nfs/dbraw/zinc/69/66/44/801696644.db2.gz DZHYOIPGRCKHPI-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1occc1C(C)C ZINC001085780623 801703892 /nfs/dbraw/zinc/70/38/92/801703892.db2.gz YIVBUIJJHGRSGS-CQSZACIVSA-N 1 1 290.407 3.125 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(Cl)cc1 ZINC001085939626 801712723 /nfs/dbraw/zinc/71/27/23/801712723.db2.gz MRONBDXCVXLBLY-HNNXBMFYSA-N 1 1 292.810 3.062 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(Cl)s1 ZINC001085958840 801714753 /nfs/dbraw/zinc/71/47/53/801714753.db2.gz MFNPFUWHLAYTNL-LLVKDONJSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1sccc1C(C)C ZINC001085983769 801716291 /nfs/dbraw/zinc/71/62/91/801716291.db2.gz OSEYNAFRRGDBCD-CYBMUJFWSA-N 1 1 292.448 3.204 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1sccc1C(C)C ZINC001085983769 801716296 /nfs/dbraw/zinc/71/62/96/801716296.db2.gz OSEYNAFRRGDBCD-CYBMUJFWSA-N 1 1 292.448 3.204 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cscc2C)[C@H]1CC ZINC001087533730 801754067 /nfs/dbraw/zinc/75/40/67/801754067.db2.gz FLNPIUOFCBOCOM-LSDHHAIUSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2C=CCCC2)[C@H]1CC ZINC001087621179 801758672 /nfs/dbraw/zinc/75/86/72/801758672.db2.gz KVBBFFGMBKPTGV-IXDOHACOSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC=CCCC2)[C@H]1CC ZINC001087621417 801759435 /nfs/dbraw/zinc/75/94/35/801759435.db2.gz UEIGAZDVEBBIOC-YESZJQIVSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CC[C@@H](C)F)[C@@H]2CC)C1 ZINC001087717758 801765247 /nfs/dbraw/zinc/76/52/47/801765247.db2.gz ODLKMKADQAUTQX-QLFBSQMISA-N 1 1 296.430 3.060 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C)c2C)[C@H]1CC ZINC001087816287 801768172 /nfs/dbraw/zinc/76/81/72/801768172.db2.gz FHOHJHJGLRCVDF-DLBZAZTESA-N 1 1 286.419 3.072 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)s2)[C@H]1CC ZINC001087818992 801768515 /nfs/dbraw/zinc/76/85/15/801768515.db2.gz YNTLLNQBSLVDAO-WDEREUQCSA-N 1 1 298.839 3.170 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3)C[C@@H]2C1 ZINC001087870074 801770521 /nfs/dbraw/zinc/77/05/21/801770521.db2.gz VTBRYOFAVBGXNM-MSOLQXFVSA-N 1 1 298.430 3.047 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC23CC3)[C@H]1C ZINC001088659617 801804507 /nfs/dbraw/zinc/80/45/07/801804507.db2.gz ZHWCDMYTUNOIRT-OAGGEKHMSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)c(C)c2)[C@H]1C ZINC001088834629 801808284 /nfs/dbraw/zinc/80/82/84/801808284.db2.gz DGCSYEISVRSNIX-DOMZBBRYSA-N 1 1 292.810 3.027 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](CC=C(C)C)[C@@H]2C)CC1 ZINC001088835557 801808387 /nfs/dbraw/zinc/80/83/87/801808387.db2.gz CLMJUFBKVMXHKM-WBVHZDCISA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccsc2Cl)[C@H]1C ZINC001088899961 801812950 /nfs/dbraw/zinc/81/29/50/801812950.db2.gz JPLBTJBYXBXCEI-PWSUYJOCSA-N 1 1 298.839 3.170 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC23CCCC3)[C@H]1C ZINC001088961305 801813606 /nfs/dbraw/zinc/81/36/06/801813606.db2.gz WTQVLLOILFYGPF-PMPSAXMXSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cccc(C3CC3)c2)[C@H]1C ZINC001089065319 801818918 /nfs/dbraw/zinc/81/89/18/801818918.db2.gz ZQOLKBIMETZPBY-KDOFPFPSSA-N 1 1 298.430 3.333 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C=C2CCC2)CC(C)(C)C1 ZINC001089358197 801834802 /nfs/dbraw/zinc/83/48/02/801834802.db2.gz ULIDGOVXQOPSCT-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2CC)CC(C)(C)C1 ZINC001089497633 801842489 /nfs/dbraw/zinc/84/24/89/801842489.db2.gz FQYXRRYIUSWZJL-OWCLPIDISA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC ZINC001089696214 801850858 /nfs/dbraw/zinc/85/08/58/801850858.db2.gz UXXGFLXOCVRAKI-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO COc1cccc2c1CC[C@H]([N@H+]1CCC[C@@H](C#N)CC1)C2 ZINC001256654457 806941803 /nfs/dbraw/zinc/94/18/03/806941803.db2.gz OMCHCCBQEJXTRM-ZBFHGGJFSA-N 1 1 284.403 3.178 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)C3CCCCC3)CCC[C@@H]12 ZINC001094350233 801871986 /nfs/dbraw/zinc/87/19/86/801871986.db2.gz SLRQTIQTBIIJGP-SJLPKXTDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC=CCC1)C2 ZINC001095165929 801880632 /nfs/dbraw/zinc/88/06/32/801880632.db2.gz ZLBHEOBMRPSGAX-NCOADZHNSA-N 1 1 288.435 3.030 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(C)C=CCC1)C2 ZINC001095880268 801884481 /nfs/dbraw/zinc/88/44/81/801884481.db2.gz HDLHBBISXWXMFC-MUQADHOPSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)ccc1C)C2 ZINC001096425904 801890133 /nfs/dbraw/zinc/89/01/33/801890133.db2.gz ZUCJVTOBMOKSQE-NJAFHUGGSA-N 1 1 298.430 3.215 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(F)=C1CCCC1)C2 ZINC001096951938 801896611 /nfs/dbraw/zinc/89/66/11/801896611.db2.gz OTLMXUJDCNEGOF-KFWWJZLASA-N 1 1 292.398 3.082 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C1CCCC1)C2 ZINC001097235270 801900138 /nfs/dbraw/zinc/90/01/38/801900138.db2.gz HRDAVPCTLQFAIF-OAGGEKHMSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C1CCCC1)C2 ZINC001098190762 801907270 /nfs/dbraw/zinc/90/72/70/801907270.db2.gz OKURUPKXOSVHTG-SVGFKBNWSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cccc(C)c2)C1 ZINC001098708078 801910969 /nfs/dbraw/zinc/91/09/69/801910969.db2.gz OFMUXWYUZLELRD-HKUYNNGSSA-N 1 1 298.430 3.155 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCCC ZINC001098900509 801920356 /nfs/dbraw/zinc/92/03/56/801920356.db2.gz QZNRKXUFGRWTQG-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC(=C)C ZINC001098966186 801922938 /nfs/dbraw/zinc/92/29/38/801922938.db2.gz HUVXQXZXXJANDR-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)/C=C\C1CC1 ZINC001099007303 801924305 /nfs/dbraw/zinc/92/43/05/801924305.db2.gz BBPPYQGYQOSZRB-QWGSZXSUSA-N 1 1 290.451 3.136 20 30 CGEDMO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)CCCC ZINC001099048334 801927054 /nfs/dbraw/zinc/92/70/54/801927054.db2.gz FKFHWKSSGBVHFL-CVEARBPZSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)/C=C(/C)CC ZINC001099054352 801928539 /nfs/dbraw/zinc/92/85/39/801928539.db2.gz DLTDLKUKZVDTAQ-SZGZABIGSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H](C=C)CC ZINC001099188428 801932400 /nfs/dbraw/zinc/93/24/00/801932400.db2.gz FZAPAVVFQWQKHJ-HOTGVXAUSA-N 1 1 292.467 3.382 20 30 CGEDMO C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCC(C)C ZINC001099244517 801933837 /nfs/dbraw/zinc/93/38/37/801933837.db2.gz AWPGIDABZZQHHU-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1(C(C)C)CC1 ZINC001099220452 801933865 /nfs/dbraw/zinc/93/38/65/801933865.db2.gz NQMKLUVWECMZLC-HNNXBMFYSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)/C(C)=C/C)C[C@]2(C)C1 ZINC001101191937 801973443 /nfs/dbraw/zinc/97/34/43/801973443.db2.gz WLWMPNRWTJIFFD-SNVWWWOLSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)/C(C)=C\C)C[C@]2(C)C1 ZINC001101191939 801973565 /nfs/dbraw/zinc/97/35/65/801973565.db2.gz WLWMPNRWTJIFFD-ZHOBBMLFSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CN(C(=O)CC(C)=C(C)C)C[C@]2(C)C1 ZINC001101330563 801975200 /nfs/dbraw/zinc/97/52/00/801975200.db2.gz QUCHQOUYPUHTDL-AEFFLSMTSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC(C)(C)CC(=O)N1C[C@H]2C[N@H+](CCCC)C[C@@]2(C)C1 ZINC001101252369 801975358 /nfs/dbraw/zinc/97/53/58/801975358.db2.gz KSTQYDSUBWVFFT-QAPCUYQASA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1C[C@H]2C[N@H+](CC(C)C)C[C@@]2(C)C1 ZINC001101337834 801976032 /nfs/dbraw/zinc/97/60/32/801976032.db2.gz NFDOFQJDEANENJ-JZXOWHBKSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)CCCCCC)C[C@]2(C)C1 ZINC001101452078 801979999 /nfs/dbraw/zinc/97/99/99/801979999.db2.gz YNLKKZBTYSUDHR-AEFFLSMTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC)CCCC)[C@H](C)C1 ZINC001101750986 801990333 /nfs/dbraw/zinc/99/03/33/801990333.db2.gz WSABKVMACFVOHE-IXDOHACOSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)CCC)[C@H](C)C1 ZINC001101829147 801991219 /nfs/dbraw/zinc/99/12/19/801991219.db2.gz SGUZWAQHCPVTPJ-BZUAXINKSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C2=CCCC2)[C@H](C)C1 ZINC001101868891 801993656 /nfs/dbraw/zinc/99/36/56/801993656.db2.gz SJPJFILNEVMLFR-BFYDXBDKSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)CCCC)C1 ZINC001102693268 802019860 /nfs/dbraw/zinc/01/98/60/802019860.db2.gz VLLIJSXLTYXLIL-IXDOHACOSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)C(C)C)C1 ZINC001102765903 802020071 /nfs/dbraw/zinc/02/00/71/802020071.db2.gz KUUFYNVOSUOGAT-GVDBMIGSSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)C(C)(C)C)C1 ZINC001103311606 802029061 /nfs/dbraw/zinc/02/90/61/802029061.db2.gz CVCQRTLAFXGGFU-HUUCEWRRSA-N 1 1 294.483 3.319 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2(C)CC2)C1 ZINC001103243920 802029244 /nfs/dbraw/zinc/02/92/44/802029244.db2.gz IDGNMRMMOAOBMU-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@@H](C)CC)C1 ZINC001103559850 802035038 /nfs/dbraw/zinc/03/50/38/802035038.db2.gz NKRWFYJMXFDYLA-GVDBMIGSSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)CCC)C1 ZINC001103581757 802037460 /nfs/dbraw/zinc/03/74/60/802037460.db2.gz PMGUKRWCJQENKX-BRWVUGGUSA-N 1 1 294.483 3.463 20 30 CGEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCCCC)C1 ZINC001103694589 802039132 /nfs/dbraw/zinc/03/91/32/802039132.db2.gz XUBXJRVUJLMHDM-IAGOWNOFSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(CNC(=O)C[C@H](C)CC)CCC[C@@H]12 ZINC001107383832 802088258 /nfs/dbraw/zinc/08/82/58/802088258.db2.gz IHUPCPUHWOMJCE-JFIYKMOQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)CC)CCC[C@@H]12 ZINC001107525516 802089770 /nfs/dbraw/zinc/08/97/70/802089770.db2.gz HPKPDGVEMFWTIO-CRAIPNDOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)CCCC3CC3)CCC[C@@H]12 ZINC001107514644 802090720 /nfs/dbraw/zinc/09/07/20/802090720.db2.gz PILLVFAAFSFGQR-SJLPKXTDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C(C)=C/CC)C2 ZINC001109009679 802106208 /nfs/dbraw/zinc/10/62/08/802106208.db2.gz UHPNTRNSGYWRRC-VHLGLIFHSA-N 1 1 276.424 3.030 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC ZINC001109344446 802114504 /nfs/dbraw/zinc/11/45/04/802114504.db2.gz FUGRCZQAYBWOOK-RDBSUJKOSA-N 1 1 298.858 3.287 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)C ZINC001109604576 802119262 /nfs/dbraw/zinc/11/92/62/802119262.db2.gz PHZRDQYMSKHYDD-PMPSAXMXSA-N 1 1 292.467 3.356 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1 ZINC001109633344 802120723 /nfs/dbraw/zinc/12/07/23/802120723.db2.gz YCQJRKXWBSNEAA-ORQFMDKSSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)C ZINC001109658711 802120802 /nfs/dbraw/zinc/12/08/02/802120802.db2.gz AVYYSGNJPUOGJG-PMPSAXMXSA-N 1 1 278.440 3.110 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC(C)C)C2 ZINC001109748317 802123728 /nfs/dbraw/zinc/12/37/28/802123728.db2.gz QWAHUOAQMVMHTH-PMPSAXMXSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC)CCCC1 ZINC001110215021 802131067 /nfs/dbraw/zinc/13/10/67/802131067.db2.gz VSBUEURGIGYVSA-PMPSAXMXSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC)c1ccccc1 ZINC001110135017 802131110 /nfs/dbraw/zinc/13/11/10/802131110.db2.gz IJWGJXJXEKVJGY-BGTYHANMSA-N 1 1 298.430 3.088 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC1CCCC1)C2 ZINC001110166414 802132555 /nfs/dbraw/zinc/13/25/55/802132555.db2.gz DZVFMGWXOBOFHT-IKGGRYGDSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(C)(C)CC)C2 ZINC001110594103 802144942 /nfs/dbraw/zinc/14/49/42/802144942.db2.gz DRBDBDRZAQPOFT-KFWWJZLASA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(C)(C)C1CC1)C2 ZINC001110527514 802145069 /nfs/dbraw/zinc/14/50/69/802145069.db2.gz HLCPNEFAFGTDBK-OAGGEKHMSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1(C)CCCCC1)C2 ZINC001110796527 802146543 /nfs/dbraw/zinc/14/65/43/802146543.db2.gz PVESUQNMKLVDEA-OAGGEKHMSA-N 1 1 290.451 3.254 20 30 CGEDMO CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](F)CC)C2 ZINC001110905024 802148294 /nfs/dbraw/zinc/14/82/94/802148294.db2.gz FVAUIEIUBJHLQF-QXSJWSMHSA-N 1 1 298.446 3.426 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C(C)(C)C)C2 ZINC001110902282 802148715 /nfs/dbraw/zinc/14/87/15/802148715.db2.gz SMUUMPUYXREHTI-KFWWJZLASA-N 1 1 292.467 3.356 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)CC)C2 ZINC001110969240 802152386 /nfs/dbraw/zinc/15/23/86/802152386.db2.gz WDDDNVWOBIZKLP-KFWWJZLASA-N 1 1 278.440 3.110 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CCC)C(C)C)C2 ZINC001111082633 802154183 /nfs/dbraw/zinc/15/41/83/802154183.db2.gz BUPOEGHFWQGVAE-TWMKSMIVSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@H](C)F ZINC001111073421 802154293 /nfs/dbraw/zinc/15/42/93/802154293.db2.gz JXKLNJHOJYQMKB-YJNKXOJESA-N 1 1 296.430 3.058 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CCC)C(C)C)C2 ZINC001111083282 802154905 /nfs/dbraw/zinc/15/49/05/802154905.db2.gz XCRCJMNXMDUYKC-TWMKSMIVSA-N 1 1 292.467 3.356 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CCC)C(C)C)C2 ZINC001111082634 802155361 /nfs/dbraw/zinc/15/53/61/802155361.db2.gz BUPOEGHFWQGVAE-VQHPVUNQSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CCC)CC(C)C)C2 ZINC001111478345 802159896 /nfs/dbraw/zinc/15/98/96/802159896.db2.gz XIQYDCHQNGUHAD-VQHPVUNQSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(CC)CC)C1 ZINC001111606204 802164754 /nfs/dbraw/zinc/16/47/54/802164754.db2.gz UWVDEWVGNKCSOU-WMZOPIPTSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)CC(C)C)C1 ZINC001111929799 802172047 /nfs/dbraw/zinc/17/20/47/802172047.db2.gz ASULUIQORVVEOG-RYRKJORJSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC(CC)CC)C1 ZINC001111915230 802173191 /nfs/dbraw/zinc/17/31/91/802173191.db2.gz TVJXCVSVANZRKY-WMZOPIPTSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(CC)CC)C[C@H]21 ZINC001114724252 802243945 /nfs/dbraw/zinc/24/39/45/802243945.db2.gz JNSYUNBCKPOXAX-SIXLDLHFSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@H]1CNc1cccc(C)n1 ZINC001116471041 802360212 /nfs/dbraw/zinc/36/02/12/802360212.db2.gz GBBSXOMBINLSMU-HNNXBMFYSA-N 1 1 259.397 3.233 20 30 CGEDMO C[C@@H]1CCc2nc(C[N@@H+]3CCC[C@@H](CC#N)C3)sc2C1 ZINC001118587079 802587011 /nfs/dbraw/zinc/58/70/11/802587011.db2.gz FLZMPPYSBNGIED-OLZOCXBDSA-N 1 1 289.448 3.394 20 30 CGEDMO C[C@@H]1CCc2nc(C[N@H+]3CCC[C@@H](CC#N)C3)sc2C1 ZINC001118587079 802587016 /nfs/dbraw/zinc/58/70/16/802587016.db2.gz FLZMPPYSBNGIED-OLZOCXBDSA-N 1 1 289.448 3.394 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2nc3cc(C)ccc3s2)C1 ZINC001118814587 802606395 /nfs/dbraw/zinc/60/63/95/802606395.db2.gz CBHPMJVHVAMGSE-ZDUSSCGKSA-N 1 1 288.416 3.382 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2nc3cc(C)ccc3s2)C1 ZINC001118814587 802606397 /nfs/dbraw/zinc/60/63/97/802606397.db2.gz CBHPMJVHVAMGSE-ZDUSSCGKSA-N 1 1 288.416 3.382 20 30 CGEDMO C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)CCC2CC2)CC1 ZINC001279120175 809165493 /nfs/dbraw/zinc/16/54/93/809165493.db2.gz QBNUFAQLKZACDD-ZDUSSCGKSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](C[C@@H]2CCc3ccccc3C2)C1 ZINC001119292669 802643344 /nfs/dbraw/zinc/64/33/44/802643344.db2.gz DEFMZZROUQRRFE-CRAIPNDOSA-N 1 1 271.404 3.068 20 30 CGEDMO N#CC1CCC(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)CC1 ZINC001119724863 802694631 /nfs/dbraw/zinc/69/46/31/802694631.db2.gz HYFAPTRXNSFITA-ABHNRTSZSA-N 1 1 283.419 3.276 20 30 CGEDMO Cc1ccc(N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C#N)n1 ZINC001120921181 802793391 /nfs/dbraw/zinc/79/33/91/802793391.db2.gz LWBHSZNJTDFPED-LSDHHAIUSA-N 1 1 298.434 3.327 20 30 CGEDMO CC(C)C[C@](C)(C#N)N[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256910448 807006709 /nfs/dbraw/zinc/00/67/09/807006709.db2.gz ZCJOYYJZKMSLIP-DOTOQJQBSA-N 1 1 277.456 3.311 20 30 CGEDMO CC(C)C[C@](C)(C#N)N[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256910449 807006844 /nfs/dbraw/zinc/00/68/44/807006844.db2.gz ZCJOYYJZKMSLIP-NVXWUHKLSA-N 1 1 277.456 3.311 20 30 CGEDMO C=C(CC)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001123656263 802961097 /nfs/dbraw/zinc/96/10/97/802961097.db2.gz CMLSEEBISBIBGS-RDJZCZTQSA-N 1 1 286.419 3.122 20 30 CGEDMO C[N@H+]1CCc2ccc(C3=CC[C@H](C#N)CC3)cc2C1 ZINC001243794430 803012731 /nfs/dbraw/zinc/01/27/31/803012731.db2.gz OAHRRAQMANQBKH-ZDUSSCGKSA-N 1 1 252.361 3.382 20 30 CGEDMO N#C[C@@H]1CC=C(c2ccccc2CN2CCC([NH3+])CC2)CC1 ZINC001243794141 803013277 /nfs/dbraw/zinc/01/32/77/803013277.db2.gz RGYSVUOBCFMHMK-OAHLLOKOSA-N 1 1 295.430 3.317 20 30 CGEDMO N#CC1(c2cccc(-c3cc[nH+]c4c3CCN4)c2)CC1 ZINC001244074534 803172320 /nfs/dbraw/zinc/17/23/20/803172320.db2.gz AXPQQPKBUFRLEN-UHFFFAOYSA-N 1 1 261.328 3.272 20 30 CGEDMO CC[N@H+]1CCc2cc(-c3ccc(C#N)cc3N)ccc2C1 ZINC001244084808 803176975 /nfs/dbraw/zinc/17/69/75/803176975.db2.gz RUPLPMPBQDZOAS-UHFFFAOYSA-N 1 1 277.371 3.185 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)CCSCC)CC[C@@H]1C ZINC001131849364 803351469 /nfs/dbraw/zinc/35/14/69/803351469.db2.gz RLWLYBBRGMIYAL-LSDHHAIUSA-N 1 1 298.496 3.065 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)CCC2CC2)CC[C@@H]1C ZINC001131922275 803356971 /nfs/dbraw/zinc/35/69/71/803356971.db2.gz HOPXNCBRYPPRHA-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)CC(C)(C)C2CC2)CC[C@H]1C ZINC001132007340 803366773 /nfs/dbraw/zinc/36/67/73/803366773.db2.gz ZKXHGSFFTHLGEU-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO CCC(CC)C[N@H+]1C[C@H](NC(=O)C#CC(C)C)CC[C@H]1C ZINC001132022082 803367496 /nfs/dbraw/zinc/36/74/96/803367496.db2.gz UNPQAPGQLSFLJI-NVXWUHKLSA-N 1 1 292.467 3.051 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCCC)C1 ZINC001132071485 803371132 /nfs/dbraw/zinc/37/11/32/803371132.db2.gz BDXBTJUBKSUYTL-LSDHHAIUSA-N 1 1 266.429 3.112 20 30 CGEDMO CC#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)C(C)(C)C)CC[C@H]1C ZINC001132224070 803381834 /nfs/dbraw/zinc/38/18/34/803381834.db2.gz KGKRSSCBNUQIQE-CABCVRRESA-N 1 1 292.467 3.051 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CCCF)CC[C@H]1C ZINC001132232189 803383678 /nfs/dbraw/zinc/38/36/78/803383678.db2.gz RTBIRCJMHRUJRD-CVEARBPZSA-N 1 1 298.446 3.452 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC2CCCC2)C1 ZINC001132228143 803384178 /nfs/dbraw/zinc/38/41/78/803384178.db2.gz MVUACAHKHNDYGM-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C#CCCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCCC)C1 ZINC001132241109 803385976 /nfs/dbraw/zinc/38/59/76/803385976.db2.gz QSJKEYZPJYYMHT-IAGOWNOFSA-N 1 1 292.467 3.339 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)CCCC2CC2)CC[C@H]1C ZINC001132244910 803386488 /nfs/dbraw/zinc/38/64/88/803386488.db2.gz KXWZRXCDFMUCDL-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2(CF)CCC2)CC[C@H]1C ZINC001132313671 803393611 /nfs/dbraw/zinc/39/36/11/803393611.db2.gz CBJFHQRGAJBYEQ-CABCVRRESA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC3CC3)C2)CC1 ZINC001132292457 803394267 /nfs/dbraw/zinc/39/42/67/803394267.db2.gz RKHLGQZTAFJLAQ-GDBMZVCRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@H+]1C[C@H](NC(=O)CC(CC)CC)CC[C@H]1C ZINC001132391531 803399808 /nfs/dbraw/zinc/39/98/08/803399808.db2.gz BEMJAFQKZMJVEJ-GDBMZVCRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC)C2)CCCC1 ZINC001132546194 803413215 /nfs/dbraw/zinc/41/32/15/803413215.db2.gz JLSHJDPUAOBTRG-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC1(CC(=O)NCC[N@@H+]2CCC[C@H](C)C2)CCCCC1 ZINC001136224898 803637616 /nfs/dbraw/zinc/63/76/16/803637616.db2.gz LUUPMHLDQLPHOQ-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO COc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c(C#N)c1 ZINC001137699695 803761319 /nfs/dbraw/zinc/76/13/19/803761319.db2.gz QNLQZESSGOCKEX-OKILXGFUSA-N 1 1 292.329 3.044 20 30 CGEDMO COc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c(C#N)c1 ZINC001137699695 803761323 /nfs/dbraw/zinc/76/13/23/803761323.db2.gz QNLQZESSGOCKEX-OKILXGFUSA-N 1 1 292.329 3.044 20 30 CGEDMO CC(C)(C)Oc1cccc(C[N@H+]2CCC[C@@H](C#N)CC2)n1 ZINC001138283655 803888092 /nfs/dbraw/zinc/88/80/92/803888092.db2.gz CVKHVQVQMWMYHT-CQSZACIVSA-N 1 1 287.407 3.385 20 30 CGEDMO C[N@H+](CCF)Cc1ccc(C#Cc2ccccc2)cc1 ZINC001138336726 803898009 /nfs/dbraw/zinc/89/80/09/803898009.db2.gz XPZLZRPHKBUTRC-UHFFFAOYSA-N 1 1 267.347 3.488 20 30 CGEDMO C[N@@H+](CCF)Cc1ccc(C#Cc2ccccc2)cc1 ZINC001138336726 803898015 /nfs/dbraw/zinc/89/80/15/803898015.db2.gz XPZLZRPHKBUTRC-UHFFFAOYSA-N 1 1 267.347 3.488 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)cc1 ZINC001138556165 803966017 /nfs/dbraw/zinc/96/60/17/803966017.db2.gz IOHVWAXPTHSXTC-MSOLQXFVSA-N 1 1 297.398 3.032 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)cc1 ZINC001138556165 803966020 /nfs/dbraw/zinc/96/60/20/803966020.db2.gz IOHVWAXPTHSXTC-MSOLQXFVSA-N 1 1 297.398 3.032 20 30 CGEDMO C#CCOc1ccc(C[N@H+](CC=C)C(C)(C)C)cc1 ZINC001138560203 803967972 /nfs/dbraw/zinc/96/79/72/803967972.db2.gz LIERSBBEJMRUON-UHFFFAOYSA-N 1 1 257.377 3.485 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@H](CC)C2)cc1 ZINC001138557850 803968062 /nfs/dbraw/zinc/96/80/62/803968062.db2.gz RGFREZVLZWOQHN-HNNXBMFYSA-N 1 1 257.377 3.321 20 30 CGEDMO COc1ccc2c(C[N@H+]3CCC[C@@H](C#N)CC3)c[nH]c2c1 ZINC001138590556 803976016 /nfs/dbraw/zinc/97/60/16/803976016.db2.gz SECFVNOUEDZXKI-CYBMUJFWSA-N 1 1 283.375 3.302 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2ccccc2N2CCCC2)CC1 ZINC001138611924 803980238 /nfs/dbraw/zinc/98/02/38/803980238.db2.gz WVJVNOVLVSOIIP-INIZCTEOSA-N 1 1 283.419 3.412 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CC[C@@H](N(CC)CC)C2)c1O ZINC001138627829 803985900 /nfs/dbraw/zinc/98/59/00/803985900.db2.gz GGBGLOAFNISPRA-QGZVFWFLSA-N 1 1 288.435 3.037 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2CC[C@@H](N(CC)CC)C2)c1O ZINC001138627829 803985908 /nfs/dbraw/zinc/98/59/08/803985908.db2.gz GGBGLOAFNISPRA-QGZVFWFLSA-N 1 1 288.435 3.037 20 30 CGEDMO C=C(C)COc1ccccc1CN1CCC[N@H+](CC)CC1 ZINC001138663017 803997334 /nfs/dbraw/zinc/99/73/34/803997334.db2.gz LEYVCTKVFQJEKZ-UHFFFAOYSA-N 1 1 288.435 3.169 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+](CC)CCC(=O)OC ZINC001138665928 803999096 /nfs/dbraw/zinc/99/90/96/803999096.db2.gz CSTCUGJCYXMPMU-UHFFFAOYSA-N 1 1 291.391 3.027 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2c3cc[nH]c3ncc2Cl)CC1 ZINC001138952238 804081307 /nfs/dbraw/zinc/08/13/07/804081307.db2.gz PAGQUWDKIULFFP-NSHDSACASA-N 1 1 288.782 3.294 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[N@@H+]1CCN[C@@H](C)C1 ZINC001246019326 804100935 /nfs/dbraw/zinc/10/09/35/804100935.db2.gz DLONWLRQPIQTOB-IRXDYDNUSA-N 1 1 284.488 3.172 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[N@H+]1CCN[C@@H](C)C1 ZINC001246019326 804100939 /nfs/dbraw/zinc/10/09/39/804100939.db2.gz DLONWLRQPIQTOB-IRXDYDNUSA-N 1 1 284.488 3.172 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(OC(C)=O)c(OCC)c1 ZINC001139004473 804106669 /nfs/dbraw/zinc/10/66/69/804106669.db2.gz WPFSOMXQMLMTLC-UHFFFAOYSA-N 1 1 291.391 3.409 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCc2occc2C1 ZINC001139030481 804113752 /nfs/dbraw/zinc/11/37/52/804113752.db2.gz OALOYHBZBMBKFO-UHFFFAOYSA-N 1 1 269.344 3.403 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCc2occc2C1 ZINC001139030481 804113759 /nfs/dbraw/zinc/11/37/59/804113759.db2.gz OALOYHBZBMBKFO-UHFFFAOYSA-N 1 1 269.344 3.403 20 30 CGEDMO N#Cc1ccc(C2CCC([NH2+][C@@H]3CCCC[C@@H]3N)CC2)cc1 ZINC001246099890 804133119 /nfs/dbraw/zinc/13/31/19/804133119.db2.gz AKGADQWWFVSNFF-WZOJCFFYSA-N 1 1 297.446 3.444 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cn(C)c3ccc(OC)cc23)C1 ZINC001139147068 804137770 /nfs/dbraw/zinc/13/77/70/804137770.db2.gz HRIAGPFXFDOVJO-CQSZACIVSA-N 1 1 282.387 3.032 20 30 CGEDMO CCn1ccc2c1cccc2C[N@H+]1CC[C@](C)(C#N)C1 ZINC001139156057 804143385 /nfs/dbraw/zinc/14/33/85/804143385.db2.gz YDZMVMADVXSTOL-QGZVFWFLSA-N 1 1 267.376 3.397 20 30 CGEDMO CCCCCCCCC[C@H](C)[NH2+]C1(CO)CCNCC1 ZINC001246119648 804151636 /nfs/dbraw/zinc/15/16/36/804151636.db2.gz WVRVCVSFEMJASQ-INIZCTEOSA-N 1 1 284.488 3.220 20 30 CGEDMO CCCCCCCCC[C@@H](C)[NH2+]C1(CO)CCNCC1 ZINC001246119649 804151890 /nfs/dbraw/zinc/15/18/90/804151890.db2.gz WVRVCVSFEMJASQ-MRXNPFEDSA-N 1 1 284.488 3.220 20 30 CGEDMO Cn1ccc2ccc(C[N@H+]3CCC[C@@H](CC#N)C3)cc21 ZINC001139203798 804161145 /nfs/dbraw/zinc/16/11/45/804161145.db2.gz ADIGAFXZGWNRBA-AWEZNQCLSA-N 1 1 267.376 3.304 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2ccc(-c3cnccn3)cc2)CC1 ZINC001139392942 804186357 /nfs/dbraw/zinc/18/63/57/804186357.db2.gz ALVMKNDUGGNYEC-HNNXBMFYSA-N 1 1 292.386 3.269 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC001139555431 804209632 /nfs/dbraw/zinc/20/96/32/804209632.db2.gz WVEJUXDBKWZAJU-CQSZACIVSA-N 1 1 280.375 3.202 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC001139555431 804209636 /nfs/dbraw/zinc/20/96/36/804209636.db2.gz WVEJUXDBKWZAJU-CQSZACIVSA-N 1 1 280.375 3.202 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC001139555431 804209641 /nfs/dbraw/zinc/20/96/41/804209641.db2.gz WVEJUXDBKWZAJU-CQSZACIVSA-N 1 1 280.375 3.202 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC001139555431 804209645 /nfs/dbraw/zinc/20/96/45/804209645.db2.gz WVEJUXDBKWZAJU-CQSZACIVSA-N 1 1 280.375 3.202 20 30 CGEDMO CCCCCCCC[C@@H](CC)[NH2+][C@H]1CNC[C@@H]1OC ZINC001246240871 804231498 /nfs/dbraw/zinc/23/14/98/804231498.db2.gz RPRUQMKMQIVCQI-PMPSAXMXSA-N 1 1 270.461 3.092 20 30 CGEDMO N#Cc1c(Cl)cccc1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001139690153 804255380 /nfs/dbraw/zinc/25/53/80/804255380.db2.gz RGCFXDWCFPCADX-BBRMVZONSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1c(Cl)cccc1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001139690153 804255389 /nfs/dbraw/zinc/25/53/89/804255389.db2.gz RGCFXDWCFPCADX-BBRMVZONSA-N 1 1 290.794 3.213 20 30 CGEDMO CO[C@@H]1CC[N@H+](Cc2cccc(Cl)c2C#N)[C@H](C)C1 ZINC001139693191 804256971 /nfs/dbraw/zinc/25/69/71/804256971.db2.gz SKLXIVGVNNUXPY-DGCLKSJQSA-N 1 1 278.783 3.211 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2C#N)[C@H](C)C1 ZINC001139693191 804256978 /nfs/dbraw/zinc/25/69/78/804256978.db2.gz SKLXIVGVNNUXPY-DGCLKSJQSA-N 1 1 278.783 3.211 20 30 CGEDMO C[C@@]1(F)CC[N@H+](Cc2c[nH]c3c2cccc3C#N)C[C@@H]1F ZINC001139701200 804257941 /nfs/dbraw/zinc/25/79/41/804257941.db2.gz CNNZOFWEYRXUQE-GOEBONIOSA-N 1 1 289.329 3.312 20 30 CGEDMO C[C@@]1(F)CC[N@@H+](Cc2c[nH]c3c2cccc3C#N)C[C@@H]1F ZINC001139701200 804257948 /nfs/dbraw/zinc/25/79/48/804257948.db2.gz CNNZOFWEYRXUQE-GOEBONIOSA-N 1 1 289.329 3.312 20 30 CGEDMO N#Cc1cccc2c(C[N@@H+]3CC[C@]4(CC4(F)F)C3)c[nH]c21 ZINC001139703378 804259914 /nfs/dbraw/zinc/25/99/14/804259914.db2.gz PIHAXESBKOCFFE-HNNXBMFYSA-N 1 1 287.313 3.271 20 30 CGEDMO CCCCCCCC[C@H](CCC)[NH2+][C@@]1(CO)CCNC1 ZINC001246289044 804259879 /nfs/dbraw/zinc/25/98/79/804259879.db2.gz OCBMZJMIWBSQMK-IRXDYDNUSA-N 1 1 284.488 3.220 20 30 CGEDMO Cc1ccc(C[N@H+](C)Cc2cccnc2C)cc1C#N ZINC001139726951 804266857 /nfs/dbraw/zinc/26/68/57/804266857.db2.gz CXDCWXLEVCLUJZ-UHFFFAOYSA-N 1 1 265.360 3.202 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1ccc(C)c(C#N)c1 ZINC001139724157 804267874 /nfs/dbraw/zinc/26/78/74/804267874.db2.gz LZRFWUMFQGJEEU-UHFFFAOYSA-N 1 1 255.365 3.382 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1ccc(C)c(C#N)c1 ZINC001139724157 804267879 /nfs/dbraw/zinc/26/78/79/804267879.db2.gz LZRFWUMFQGJEEU-UHFFFAOYSA-N 1 1 255.365 3.382 20 30 CGEDMO C=CCn1cc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)cn1 ZINC001139770659 804278162 /nfs/dbraw/zinc/27/81/62/804278162.db2.gz VYSWEHCDTRETQB-HNNXBMFYSA-N 1 1 285.366 3.198 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc3ncsc3c2)no1 ZINC001212325093 815005375 /nfs/dbraw/zinc/00/53/75/815005375.db2.gz HGBOVILAVGDARD-NSHDSACASA-N 1 1 298.371 3.150 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cc(C)cc(F)c2F)no1 ZINC001212325432 815005453 /nfs/dbraw/zinc/00/54/53/815005453.db2.gz RDYQBSYWFAGUQB-LBPRGKRZSA-N 1 1 291.301 3.127 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cccc(Cl)c2F)no1 ZINC001212325073 815005888 /nfs/dbraw/zinc/00/58/88/815005888.db2.gz FXZUYPNTEZEBNL-NSHDSACASA-N 1 1 293.729 3.332 20 30 CGEDMO C=CCC[C@@H](C)NC1(c2ccc(F)cc2)CC[NH2+]CC1 ZINC001246334356 804289618 /nfs/dbraw/zinc/28/96/18/804289618.db2.gz CLHXZKFXNZNTIJ-CQSZACIVSA-N 1 1 276.399 3.349 20 30 CGEDMO C=CCC[C@@H](C)[NH2+]C1(c2ccc(F)cc2)CCNCC1 ZINC001246334356 804289622 /nfs/dbraw/zinc/28/96/22/804289622.db2.gz CLHXZKFXNZNTIJ-CQSZACIVSA-N 1 1 276.399 3.349 20 30 CGEDMO CC[C@@H](CC#N)N[C@@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001246393619 804319162 /nfs/dbraw/zinc/31/91/62/804319162.db2.gz WOGNZQRYXHWGTI-IRXDYDNUSA-N 1 1 289.398 3.148 20 30 CGEDMO C=CC[N@@H+](Cc1c[nH]c2ncnc(Cl)c12)C(C)(C)C ZINC001139940416 804332096 /nfs/dbraw/zinc/33/20/96/804332096.db2.gz XLQBJNKSMPDETG-UHFFFAOYSA-N 1 1 278.787 3.349 20 30 CGEDMO C[C@@]1(CF)CC[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140109945 804378741 /nfs/dbraw/zinc/37/87/41/804378741.db2.gz BOPWNYDMDWJIAF-INIZCTEOSA-N 1 1 271.339 3.221 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1F)C[C@H]1Cc2ccccc2O1 ZINC001140141369 804386593 /nfs/dbraw/zinc/38/65/93/804386593.db2.gz UVPTUVCQDSWWJP-MRXNPFEDSA-N 1 1 296.345 3.133 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1F)C[C@H]1Cc2ccccc2O1 ZINC001140141369 804386599 /nfs/dbraw/zinc/38/65/99/804386599.db2.gz UVPTUVCQDSWWJP-MRXNPFEDSA-N 1 1 296.345 3.133 20 30 CGEDMO COc1cc(C[N@@H+]2CCc3ccc(C#N)cc3C2)ccc1C ZINC001140156954 804390191 /nfs/dbraw/zinc/39/01/91/804390191.db2.gz PDFUQWRKBUJMGZ-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO COc1cc(C[N@H+]2CCc3ccc(C#N)cc3C2)ccc1C ZINC001140156954 804390199 /nfs/dbraw/zinc/39/01/99/804390199.db2.gz PDFUQWRKBUJMGZ-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2c[nH]c3ccc(OCC)cc23)C1 ZINC001140272377 804405369 /nfs/dbraw/zinc/40/53/69/804405369.db2.gz UGIJYIXFPHWETO-CQSZACIVSA-N 1 1 282.387 3.412 20 30 CGEDMO N#C[C@H]1CCCN([C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256920403 807011665 /nfs/dbraw/zinc/01/16/65/807011665.db2.gz KXEADZQCLNEFEU-DOTOQJQBSA-N 1 1 275.440 3.019 20 30 CGEDMO C=C(C)CN(CC)[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256919858 807011682 /nfs/dbraw/zinc/01/16/82/807011682.db2.gz FSIYRDYRAZHXGH-INIZCTEOSA-N 1 1 250.430 3.291 20 30 CGEDMO C=C(C)C[N@@H+](CC)[C@H]1CCCN(C2CCCC2)C1 ZINC001256919858 807011687 /nfs/dbraw/zinc/01/16/87/807011687.db2.gz FSIYRDYRAZHXGH-INIZCTEOSA-N 1 1 250.430 3.291 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H]1CCCN(C2CCCC2)C1 ZINC001256919858 807011690 /nfs/dbraw/zinc/01/16/90/807011690.db2.gz FSIYRDYRAZHXGH-INIZCTEOSA-N 1 1 250.430 3.291 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2cc(O)cc(Cl)c2)CC1 ZINC001140797726 804518130 /nfs/dbraw/zinc/51/81/30/804518130.db2.gz NUQQJPYNPZMBSE-NSHDSACASA-N 1 1 264.756 3.171 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2cc(O)cc(Cl)c2)CC1 ZINC001140797726 804518136 /nfs/dbraw/zinc/51/81/36/804518136.db2.gz NUQQJPYNPZMBSE-NSHDSACASA-N 1 1 264.756 3.171 20 30 CGEDMO C[C@@H]1C[N@@H+](C2CCC(C#N)(c3ccccc3)CC2)C[C@H](C)N1 ZINC001246825191 804537165 /nfs/dbraw/zinc/53/71/65/804537165.db2.gz SJVUJQSDIBYCFG-CCZBSFLLSA-N 1 1 297.446 3.073 20 30 CGEDMO C[C@@H]1CN(C2CCC(C#N)(c3ccccc3)CC2)C[C@H](C)[NH2+]1 ZINC001246825191 804537171 /nfs/dbraw/zinc/53/71/71/804537171.db2.gz SJVUJQSDIBYCFG-CCZBSFLLSA-N 1 1 297.446 3.073 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cnccc1C(F)(F)F ZINC001140920385 804549466 /nfs/dbraw/zinc/54/94/66/804549466.db2.gz SXVUBTWFLTYEBL-UHFFFAOYSA-N 1 1 258.287 3.498 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H]1CCN[C@@H](c2ccccc2)C1 ZINC001246856086 804563179 /nfs/dbraw/zinc/56/31/79/804563179.db2.gz YWRPJYCYPCFYMI-DLBZAZTESA-N 1 1 258.409 3.378 20 30 CGEDMO C[N@@H+](C[C@@H]1Cc2ccccc2O1)C1CCC(C#N)CC1 ZINC001256971235 807020678 /nfs/dbraw/zinc/02/06/78/807020678.db2.gz MQVIUHZZFJZVCM-BCLQGDPASA-N 1 1 270.376 3.004 20 30 CGEDMO C[C@H]1[C@H](N)CCC[N@H+]1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246937204 804609325 /nfs/dbraw/zinc/60/93/25/804609325.db2.gz HQQNQLYKPWUHCK-VKDMSYRKSA-N 1 1 297.446 3.396 20 30 CGEDMO C[C@H]1[C@H]([NH3+])CCCN1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246937204 804609340 /nfs/dbraw/zinc/60/93/40/804609340.db2.gz HQQNQLYKPWUHCK-VKDMSYRKSA-N 1 1 297.446 3.396 20 30 CGEDMO CCCCCCCCNC(=S)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC001247155430 804670796 /nfs/dbraw/zinc/67/07/96/804670796.db2.gz TZZFZASNNBZKDV-GASCZTMLSA-N 1 1 299.528 3.246 20 30 CGEDMO CSc1nc(C[N@@H+]2CCCCC23CC3)ccc1C#N ZINC001141941582 804680238 /nfs/dbraw/zinc/68/02/38/804680238.db2.gz PRKXTIOJWCTLLL-UHFFFAOYSA-N 1 1 273.405 3.194 20 30 CGEDMO CSc1nc(C[N@H+]2CCCCC23CC3)ccc1C#N ZINC001141941582 804680243 /nfs/dbraw/zinc/68/02/43/804680243.db2.gz PRKXTIOJWCTLLL-UHFFFAOYSA-N 1 1 273.405 3.194 20 30 CGEDMO CSc1nc(C[N@@H+](C)CC2CC(F)(F)C2)ccc1C#N ZINC001141941540 804680558 /nfs/dbraw/zinc/68/05/58/804680558.db2.gz NTVYDPHLOOEJDX-UHFFFAOYSA-N 1 1 297.374 3.152 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2ccc(OC(F)F)cc2)no1 ZINC001247621832 804781016 /nfs/dbraw/zinc/78/10/16/804781016.db2.gz ADZXOXMDMPSGGS-LLVKDONJSA-N 1 1 295.289 3.304 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2ccc(C)c(F)c2F)no1 ZINC001247621859 804781588 /nfs/dbraw/zinc/78/15/88/804781588.db2.gz BANDGZKNCMMJLK-SNVBAGLBSA-N 1 1 279.290 3.289 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2ccc(OCCC)cc2)no1 ZINC001247622308 804783240 /nfs/dbraw/zinc/78/32/40/804783240.db2.gz IXKFLRMPQOVPBG-AWEZNQCLSA-N 1 1 287.363 3.491 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2ccc(Cl)c(F)c2)no1 ZINC001247622386 804783553 /nfs/dbraw/zinc/78/35/53/804783553.db2.gz LIACKHDGNVXHPF-LLVKDONJSA-N 1 1 281.718 3.495 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2ccc(C(F)(F)F)nc2)no1 ZINC001247622167 804783678 /nfs/dbraw/zinc/78/36/78/804783678.db2.gz HNQHDROYUQYPEH-VIFPVBQESA-N 1 1 298.268 3.116 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2ccc(-c3cnco3)cc2)no1 ZINC001247623153 804784077 /nfs/dbraw/zinc/78/40/77/804784077.db2.gz YICKYYSFNMJKQS-CYBMUJFWSA-N 1 1 296.330 3.358 20 30 CGEDMO COC(C)(C)[C@H]1CCC[N@H+]1Cc1c[nH]c2cc(C#N)ccc12 ZINC001142921876 804784901 /nfs/dbraw/zinc/78/49/01/804784901.db2.gz YMMHBSFFHDILIV-QGZVFWFLSA-N 1 1 297.402 3.429 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(OCC)c(F)c2F)C1 ZINC001143278782 804833282 /nfs/dbraw/zinc/83/32/82/804833282.db2.gz OREXFPBYNRSIJH-GFCCVEGCSA-N 1 1 279.330 3.209 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(OCC)c(F)c2F)C1 ZINC001143278782 804833287 /nfs/dbraw/zinc/83/32/87/804833287.db2.gz OREXFPBYNRSIJH-GFCCVEGCSA-N 1 1 279.330 3.209 20 30 CGEDMO Cc1cc(C[NH+]2CC(CC#N)C2)cc(OC(F)(F)F)c1 ZINC001143462408 804855081 /nfs/dbraw/zinc/85/50/81/804855081.db2.gz KLWFAXPEIHMYRQ-UHFFFAOYSA-N 1 1 284.281 3.239 20 30 CGEDMO N#Cc1cncc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC001144083941 804935015 /nfs/dbraw/zinc/93/50/15/804935015.db2.gz ZNXACBIUKNITSU-MRXNPFEDSA-N 1 1 281.334 3.082 20 30 CGEDMO COc1ccccc1[C@@H](C)[N@H+](C)Cc1cncc(C#N)c1 ZINC001144083535 804935297 /nfs/dbraw/zinc/93/52/97/804935297.db2.gz JKLUZUJJMJLRLK-CYBMUJFWSA-N 1 1 281.359 3.155 20 30 CGEDMO COc1ccccc1[C@@H](C)[N@@H+](C)Cc1cncc(C#N)c1 ZINC001144083535 804935303 /nfs/dbraw/zinc/93/53/03/804935303.db2.gz JKLUZUJJMJLRLK-CYBMUJFWSA-N 1 1 281.359 3.155 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2F)nc1 ZINC001144162905 804946803 /nfs/dbraw/zinc/94/68/03/804946803.db2.gz CHAQSTFGBBVXTR-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccc2F)nc1 ZINC001144162905 804946805 /nfs/dbraw/zinc/94/68/05/804946805.db2.gz CHAQSTFGBBVXTR-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO C=CCn1cnn(C[N@@H+](CCCC)[C@@H](C)CC)c1=S ZINC001248745856 804981219 /nfs/dbraw/zinc/98/12/19/804981219.db2.gz BSRTWIOABSGTLY-ZDUSSCGKSA-N 1 1 282.457 3.458 20 30 CGEDMO C=CCn1cnn(C[N@H+](CCCC)[C@@H](C)CC)c1=S ZINC001248745856 804981224 /nfs/dbraw/zinc/98/12/24/804981224.db2.gz BSRTWIOABSGTLY-ZDUSSCGKSA-N 1 1 282.457 3.458 20 30 CGEDMO CCO[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2CC)C1 ZINC001248751496 804984150 /nfs/dbraw/zinc/98/41/50/804984150.db2.gz YFXITPMKSZVYAL-KRWDZBQOSA-N 1 1 272.392 3.122 20 30 CGEDMO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CC#N)C2)c1 ZINC001144488110 804994936 /nfs/dbraw/zinc/99/49/36/804994936.db2.gz DIZCNSFUDYIALY-GFCCVEGCSA-N 1 1 278.783 3.474 20 30 CGEDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC001144488110 804994940 /nfs/dbraw/zinc/99/49/40/804994940.db2.gz DIZCNSFUDYIALY-GFCCVEGCSA-N 1 1 278.783 3.474 20 30 CGEDMO C=CC[N@@H+](Cc1cc(F)c([O-])cc1F)C(C)(C)C ZINC001144663501 805027905 /nfs/dbraw/zinc/02/79/05/805027905.db2.gz FKNHSWMIYXDDFG-UHFFFAOYSA-N 1 1 255.308 3.457 20 30 CGEDMO C=CC[N@H+](Cc1cc(F)c(O)cc1F)C(C)(C)C ZINC001144663501 805027914 /nfs/dbraw/zinc/02/79/14/805027914.db2.gz FKNHSWMIYXDDFG-UHFFFAOYSA-N 1 1 255.308 3.457 20 30 CGEDMO C=CC[N@@H+](Cc1cc(F)c(O)cc1F)C(C)(C)C ZINC001144663501 805027921 /nfs/dbraw/zinc/02/79/21/805027921.db2.gz FKNHSWMIYXDDFG-UHFFFAOYSA-N 1 1 255.308 3.457 20 30 CGEDMO CC(C)(C)[N@@H+]1CC[C@@H]1c1nc(-c2cccc(C#N)c2)no1 ZINC001249234509 805118690 /nfs/dbraw/zinc/11/86/90/805118690.db2.gz IJMCTXMZVNPFIK-CYBMUJFWSA-N 1 1 282.347 3.154 20 30 CGEDMO CC(C)(C)[N@H+]1CC[C@@H]1c1nc(-c2cccc(C#N)c2)no1 ZINC001249234509 805118699 /nfs/dbraw/zinc/11/86/99/805118699.db2.gz IJMCTXMZVNPFIK-CYBMUJFWSA-N 1 1 282.347 3.154 20 30 CGEDMO CC[C@@H](C)c1nn(C)cc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC001249406937 805141064 /nfs/dbraw/zinc/14/10/64/805141064.db2.gz XBSYXOBZBSEXEU-CQSZACIVSA-N 1 1 296.418 3.437 20 30 CGEDMO CC[C@@H](C)c1nn(C)cc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001249406937 805141069 /nfs/dbraw/zinc/14/10/69/805141069.db2.gz XBSYXOBZBSEXEU-CQSZACIVSA-N 1 1 296.418 3.437 20 30 CGEDMO C[N@H+](Cc1cc2ccc(C#N)cc2[nH]1)Cc1ccncc1 ZINC001249426988 805146492 /nfs/dbraw/zinc/14/64/92/805146492.db2.gz MWPCPXUCCJPDED-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO C[N@@H+](Cc1cc2ccc(C#N)cc2[nH]1)Cc1ccncc1 ZINC001249426988 805146496 /nfs/dbraw/zinc/14/64/96/805146496.db2.gz MWPCPXUCCJPDED-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cc3ccc(C#N)cc3[nH]2)CCC[C@@]1(C)O ZINC001249426951 805147226 /nfs/dbraw/zinc/14/72/26/805147226.db2.gz LZKRTFIMBMGCPP-FZKQIMNGSA-N 1 1 297.402 3.022 20 30 CGEDMO N#Cc1ccc2cc(C[N@H+]3CC[C@@]4(C3)CCCCO4)[nH]c2c1 ZINC001249426647 805147386 /nfs/dbraw/zinc/14/73/86/805147386.db2.gz BCHQOOLZJGVJHY-GOSISDBHSA-N 1 1 295.386 3.185 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249429513 805147456 /nfs/dbraw/zinc/14/74/56/805147456.db2.gz FCOLOHUXKZMJFP-UHFFFAOYSA-N 1 1 253.349 3.438 20 30 CGEDMO C=CCCCC(=O)N1CC2(C1)CC[N@H+](CCCCCF)C2 ZINC001148199898 805168210 /nfs/dbraw/zinc/16/82/10/805168210.db2.gz UUDAMQRYMKDGHW-UHFFFAOYSA-N 1 1 296.430 3.017 20 30 CGEDMO C#Cc1ccccc1Nc1cc[nH+]cc1C(F)(F)F ZINC001249594315 805185654 /nfs/dbraw/zinc/18/56/54/805185654.db2.gz ZRKKQTFNKAHGSS-UHFFFAOYSA-N 1 1 262.234 3.247 20 30 CGEDMO C=CC[N@@H+]1CCC2(CN(C(=O)[C@H](C)CCCCCC)C2)C1 ZINC001148477041 805186103 /nfs/dbraw/zinc/18/61/03/805186103.db2.gz FZUOTNAMXGPPJI-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO CCC[N@@H+](Cc1cccc(C#N)c1F)C1CCOCC1 ZINC001249691348 805213590 /nfs/dbraw/zinc/21/35/90/805213590.db2.gz HCMUZYIMXUNZTL-UHFFFAOYSA-N 1 1 276.355 3.088 20 30 CGEDMO Cc1cc(Nc2ccc(Cl)cc2C#N)c[nH+]c1N ZINC001249789222 805248484 /nfs/dbraw/zinc/24/84/84/805248484.db2.gz WNZKPXNYEQFYQZ-UHFFFAOYSA-N 1 1 258.712 3.241 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)C1C(C)(C)C1(C)C ZINC001152604469 805356239 /nfs/dbraw/zinc/35/62/39/805356239.db2.gz LNPIEEYEQWXRPF-CYBMUJFWSA-N 1 1 280.456 3.071 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)CCC1CCC1 ZINC001152612082 805357346 /nfs/dbraw/zinc/35/73/46/805357346.db2.gz UCZKMXQTLRQSLG-CYBMUJFWSA-N 1 1 286.847 3.146 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)CCC1CCC1 ZINC001152612082 805357353 /nfs/dbraw/zinc/35/73/53/805357353.db2.gz UCZKMXQTLRQSLG-CYBMUJFWSA-N 1 1 286.847 3.146 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)c1ccoc1Cl ZINC001153013048 805379196 /nfs/dbraw/zinc/37/91/96/805379196.db2.gz YTFXSSZDEOPKSQ-GFCCVEGCSA-N 1 1 298.814 3.339 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@]1(C)CC=CCC1 ZINC001153566341 805403064 /nfs/dbraw/zinc/40/30/64/805403064.db2.gz BBCJYGSYDDBKHZ-NVXWUHKLSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)C(C)C ZINC001153580524 805404676 /nfs/dbraw/zinc/40/46/76/805404676.db2.gz HFFJPHVHEBVHHA-CQSZACIVSA-N 1 1 268.445 3.071 20 30 CGEDMO C#CCC1(C(=O)NC[C@@H](C)[N@H+](CC)CCCCC)CCC1 ZINC001153783902 805414678 /nfs/dbraw/zinc/41/46/78/805414678.db2.gz VTTXYLOOGHGLOQ-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)Cc1ccccc1 ZINC001154049786 805430418 /nfs/dbraw/zinc/43/04/18/805430418.db2.gz CXQORBKPTDGXSZ-MRXNPFEDSA-N 1 1 288.435 3.022 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC1(C)C ZINC001154692287 805479033 /nfs/dbraw/zinc/47/90/33/805479033.db2.gz CUTAKVVOZQCEGT-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)CC=C(C)C ZINC001154751263 805482718 /nfs/dbraw/zinc/48/27/18/805482718.db2.gz SQZCSJJMZGYEFQ-CVEARBPZSA-N 1 1 280.456 3.382 20 30 CGEDMO CC#CCCCC(=O)NC[C@@H](C)[N@@H+](CC)CC1CCCC1 ZINC001154747185 805483386 /nfs/dbraw/zinc/48/33/86/805483386.db2.gz JNLFOXAAKSZOPI-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1ccn(C(C)C)c1C ZINC001154775080 805484424 /nfs/dbraw/zinc/48/44/24/805484424.db2.gz TVOUFYWIFHPNRZ-CQSZACIVSA-N 1 1 291.439 3.004 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@]12C[C@H]1CCCC2 ZINC001155120740 805543040 /nfs/dbraw/zinc/54/30/40/805543040.db2.gz UWBHUCMFRQZPQX-IIAWOOMASA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@]12C[C@H]1CCCC2 ZINC001155120740 805543045 /nfs/dbraw/zinc/54/30/45/805543045.db2.gz UWBHUCMFRQZPQX-IIAWOOMASA-N 1 1 298.858 3.146 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H](C)[N@@H+](CC)CC2CC(C)C2)C1 ZINC001155120695 805543106 /nfs/dbraw/zinc/54/31/06/805543106.db2.gz UIGPSWOUACPXCW-OGVSOVDVSA-N 1 1 292.467 3.215 20 30 CGEDMO N#CC1CCC([N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)CC1 ZINC001256963548 807017513 /nfs/dbraw/zinc/01/75/13/807017513.db2.gz IMEOPYDRSUZAHN-UNTZMWQOSA-N 1 1 254.324 3.046 20 30 CGEDMO N#CC1CCC(n2ccc(C[NH2+]Cc3ccccc3)n2)CC1 ZINC001256971054 807019925 /nfs/dbraw/zinc/01/99/25/807019925.db2.gz BQACJRVDCHVUFV-UHFFFAOYSA-N 1 1 294.402 3.428 20 30 CGEDMO C=C[C@H]1C[C@@]1([NH2+]C(CCC)CCC)C(=O)OCC ZINC001257330413 807111807 /nfs/dbraw/zinc/11/18/07/807111807.db2.gz MESVXXFMXZQEJD-WFASDCNBSA-N 1 1 253.386 3.053 20 30 CGEDMO Cc1ccc(CC#N)c(N(C)CCc2cccs2)[nH+]1 ZINC001166679362 807080290 /nfs/dbraw/zinc/08/02/90/807080290.db2.gz GGOIZEQTRHYIHB-UHFFFAOYSA-N 1 1 271.389 3.197 20 30 CGEDMO C#CCOCC[N@H+](CCC)[C@H](CC)c1ccccc1 ZINC001167218835 807168109 /nfs/dbraw/zinc/16/81/09/807168109.db2.gz SXZQYCOUVYVXPJ-QGZVFWFLSA-N 1 1 259.393 3.500 20 30 CGEDMO CCC#C[C@@H](C)[N@@H+](CC)Cc1ccc(OC)cc1OC ZINC001167233857 807169292 /nfs/dbraw/zinc/16/92/92/807169292.db2.gz RNOBWFNXUIYEPS-CQSZACIVSA-N 1 1 275.392 3.328 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 ZINC001167263704 807172291 /nfs/dbraw/zinc/17/22/91/807172291.db2.gz CFZWAZGLZVGQNW-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CC[N@H+](Cc1ccc(F)cc1)C[C@H]1CCC2(CCC2)O1 ZINC001167273960 807174569 /nfs/dbraw/zinc/17/45/69/807174569.db2.gz WHYDJFSQTYHCLX-QGZVFWFLSA-N 1 1 287.378 3.363 20 30 CGEDMO CCCCC[C@@H](C)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001257513283 807188335 /nfs/dbraw/zinc/18/83/35/807188335.db2.gz SCTMOZQDQUHOAR-DGCLKSJQSA-N 1 1 253.411 3.229 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3[C@@H]4CC[C@H]3CC(=O)C4)C[C@H](C1)C2 ZINC001257891642 807241435 /nfs/dbraw/zinc/24/14/35/807241435.db2.gz LFNLCLYNHRKSGY-GJZITSJHSA-N 1 1 259.393 3.317 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3C[C@H](CO)CC[C@@H]3C)C[C@H](C1)C2 ZINC001257892181 807242234 /nfs/dbraw/zinc/24/22/34/807242234.db2.gz VFBXGELESWWFLE-HCMIALLCSA-N 1 1 263.425 3.214 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CC[C@@H](CCC(=O)OC)C3)C[C@H](C1)C2 ZINC001257894946 807245148 /nfs/dbraw/zinc/24/51/48/807245148.db2.gz DZFSBNHWXHSLGS-VPSFDDGASA-N 1 1 291.435 3.396 20 30 CGEDMO Cc1[nH+]c(N)ccc1CNc1ccc(CS)cc1 ZINC001167787490 807251869 /nfs/dbraw/zinc/25/18/69/807251869.db2.gz ZTUXIFYLPUPEOU-UHFFFAOYSA-N 1 1 259.378 3.014 20 30 CGEDMO Cc1cc(N[C@H]2CC[C@H](C#N)CC2)c2[nH+]ccn2c1 ZINC001167845033 807262145 /nfs/dbraw/zinc/26/21/45/807262145.db2.gz MSNZYRXUVOPCHR-JOCQHMNTSA-N 1 1 254.337 3.137 20 30 CGEDMO CC(C)C[C@@H]1CCCC[N@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001167898671 807270240 /nfs/dbraw/zinc/27/02/40/807270240.db2.gz QMRDZBPHKINRPP-ZWKOTPCHSA-N 1 1 286.419 3.492 20 30 CGEDMO C=CC[C@@H]([NH2+][C@H](C)CCCCCCC)C(=O)OC ZINC001258039444 807271396 /nfs/dbraw/zinc/27/13/96/807271396.db2.gz QDDMZIPWERIPIV-ZIAGYGMSSA-N 1 1 255.402 3.443 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CCC[C@H](NC(C)=O)C1 ZINC001258047716 807275575 /nfs/dbraw/zinc/27/55/75/807275575.db2.gz NPXMZZKHVSKHJL-HOCLYGCPSA-N 1 1 268.445 3.336 20 30 CGEDMO C[C@H]1C[C@H]([N@H+]2CCC3SC(=O)C=C3C2)C[C@@H](C)C1 ZINC001258160211 807329303 /nfs/dbraw/zinc/32/93/03/807329303.db2.gz RHPJYEPQNNOGOF-UNJBNNCHSA-N 1 1 265.422 3.085 20 30 CGEDMO C=CCCCC[N@H+](C)[C@H]1Cc2ccc(OC)cc2C1 ZINC001168284554 807372923 /nfs/dbraw/zinc/37/29/23/807372923.db2.gz UUOLGMZVVOTEIH-INIZCTEOSA-N 1 1 259.393 3.451 20 30 CGEDMO C=C[C@H]1C[C@]1([NH2+]C1CCCCCCC1)C(=O)OCC ZINC001258235700 807381487 /nfs/dbraw/zinc/38/14/87/807381487.db2.gz VFPXNFSAHMREEA-XJKSGUPXSA-N 1 1 265.397 3.197 20 30 CGEDMO C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCCC(C)(C)C2)C1 ZINC001258298133 807403364 /nfs/dbraw/zinc/40/33/64/807403364.db2.gz LCNRDTCOSQMHQH-HUUCEWRRSA-N 1 1 294.439 3.332 20 30 CGEDMO C[C@@H](Cc1cccc(F)c1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC001168492377 807434991 /nfs/dbraw/zinc/43/49/91/807434991.db2.gz RBPWRLZXYFQAJB-KBPBESRZSA-N 1 1 260.356 3.382 20 30 CGEDMO C=CCOC(=O)[C@H](CC(C)C)[NH2+][C@H]1CCC(C)(C)C1 ZINC001258595102 807494680 /nfs/dbraw/zinc/49/46/80/807494680.db2.gz RAWKFYMFPDJRRR-KBPBESRZSA-N 1 1 267.413 3.299 20 30 CGEDMO C=CCOC(=O)[C@@H]([NH2+][C@H]1CCC(C)(C)C1)[C@@H](C)CC ZINC001258594678 807494966 /nfs/dbraw/zinc/49/49/66/807494966.db2.gz LLMDKYPEOYXSEG-IHRRRGAJSA-N 1 1 267.413 3.299 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169028947 807555682 /nfs/dbraw/zinc/55/56/82/807555682.db2.gz SXSABENUQQDKFG-ZIAGYGMSSA-N 1 1 256.390 3.334 20 30 CGEDMO C=CCC[C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)OCC=C ZINC001258718231 807567404 /nfs/dbraw/zinc/56/74/04/807567404.db2.gz KFTKKWKRYSIWKN-KGLIPLIRSA-N 1 1 253.386 3.075 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CCCn2cnc(COC(C)C)c2C1 ZINC001258731553 807578063 /nfs/dbraw/zinc/57/80/63/807578063.db2.gz ZXTZLQGXGYVFNQ-OAHLLOKOSA-N 1 1 291.439 3.369 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](Oc2ccncc2C)C1 ZINC001258735929 807581677 /nfs/dbraw/zinc/58/16/77/807581677.db2.gz GCDGDVHWZWYQAK-LSDHHAIUSA-N 1 1 260.381 3.198 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](Oc2cccc(C)n2)C1 ZINC001258736189 807582069 /nfs/dbraw/zinc/58/20/69/807582069.db2.gz NZLXKXWCQOVIAW-CABCVRRESA-N 1 1 260.381 3.198 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC001258735680 807582588 /nfs/dbraw/zinc/58/25/88/807582588.db2.gz YXJCGMDTGCVZCW-STQMWFEESA-N 1 1 253.386 3.005 20 30 CGEDMO C[Si](C)(C)C#C[NH2+]Cc1c(Cl)cncc1Cl ZINC001169183756 807599062 /nfs/dbraw/zinc/59/90/62/807599062.db2.gz MQMVSXNWAJQWSO-UHFFFAOYSA-N 1 1 273.239 3.316 20 30 CGEDMO C=CCc1cc(C)c[nH+]c1NCCc1ccnc(OC)c1 ZINC001169223024 807607922 /nfs/dbraw/zinc/60/79/22/807607922.db2.gz UJBRFXCCGGCOSX-UHFFFAOYSA-N 1 1 283.375 3.177 20 30 CGEDMO COc1ccc(Nc2[nH+]c3ccccc3n2C)c(C#N)c1 ZINC001212779031 815134229 /nfs/dbraw/zinc/13/42/29/815134229.db2.gz PLQQFKNJMVPRSK-UHFFFAOYSA-N 1 1 278.315 3.197 20 30 CGEDMO C=CCOC(=O)[C@@H]([NH2+][C@@H]1CCC[C@@H](C)C1)[C@@H](C)CC ZINC001258809388 807628316 /nfs/dbraw/zinc/62/83/16/807628316.db2.gz YCSDKBQWQWMDSD-BARDWOONSA-N 1 1 267.413 3.299 20 30 CGEDMO C#C[C@@](C)(CC)Nc1cc(F)c(C[NH+](C)C)c(F)c1 ZINC001169700209 807691537 /nfs/dbraw/zinc/69/15/37/807691537.db2.gz KTFCIIYLWMVECG-HNNXBMFYSA-N 1 1 266.335 3.240 20 30 CGEDMO C#CC[N@H+](CCN(C)c1ccccc1)Cc1ccccc1 ZINC001170094076 807756710 /nfs/dbraw/zinc/75/67/10/807756710.db2.gz FSEGEIQGIHEBBM-UHFFFAOYSA-N 1 1 278.399 3.258 20 30 CGEDMO C[C@@H]1C[N@H+](C2CCC(C#N)(c3ccccc3)CC2)CC[C@@H]1O ZINC001170379007 807832966 /nfs/dbraw/zinc/83/29/66/807832966.db2.gz ORAIFKUEIUCLKO-IZIZEDOESA-N 1 1 298.430 3.093 20 30 CGEDMO N#C[C@H]1CCC[N@H+]([C@@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170701603 807877607 /nfs/dbraw/zinc/87/76/07/807877607.db2.gz QSWMPIAHGFBVSZ-SWLSCSKDSA-N 1 1 290.357 3.448 20 30 CGEDMO C=CCOC(=O)[C@@H]([NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C)[C@@H](C)CC ZINC001170721763 807885625 /nfs/dbraw/zinc/88/56/25/807885625.db2.gz YVNWYLGFPFLSPY-RMEBNNNOSA-N 1 1 279.424 3.155 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC001170804379 807911032 /nfs/dbraw/zinc/91/10/32/807911032.db2.gz NSDSRWZAHZKKOB-GDBMZVCRSA-N 1 1 256.393 3.088 20 30 CGEDMO C#C[C@H]1COCC[N@H+]1Cc1c(C)ccc2cc(C)ccc21 ZINC001171025613 807963813 /nfs/dbraw/zinc/96/38/13/807963813.db2.gz GBFPOBKVLWKHQW-KRWDZBQOSA-N 1 1 279.383 3.291 20 30 CGEDMO C#C[C@H]1COCC[N@@H+]1Cc1c(C)ccc2cc(C)ccc21 ZINC001171025613 807963816 /nfs/dbraw/zinc/96/38/16/807963816.db2.gz GBFPOBKVLWKHQW-KRWDZBQOSA-N 1 1 279.383 3.291 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC001171199911 808007740 /nfs/dbraw/zinc/00/77/40/808007740.db2.gz IWRWVUMUAQXFFJ-CYBMUJFWSA-N 1 1 282.428 3.282 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1ccncc1 ZINC001171203092 808009409 /nfs/dbraw/zinc/00/94/09/808009409.db2.gz IVMURJRSZXRLBY-AWEZNQCLSA-N 1 1 265.360 3.016 20 30 CGEDMO Cc1ncccc1C[N@H+](C)[C@H](C)Cc1cccc(C#N)c1 ZINC001171229786 808013667 /nfs/dbraw/zinc/01/36/67/808013667.db2.gz QRJMSFLCFJJPBI-CQSZACIVSA-N 1 1 279.387 3.325 20 30 CGEDMO COc1ccc(Cl)c2c1C[C@H]([NH+]1CC(CC#N)C1)CC2 ZINC001171316396 808025417 /nfs/dbraw/zinc/02/54/17/808025417.db2.gz NMAJTJHRCWITSQ-GFCCVEGCSA-N 1 1 290.794 3.051 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)/C=C\C(C)(C)C ZINC001264180403 808044894 /nfs/dbraw/zinc/04/48/94/808044894.db2.gz CIDRPTAIZOGMMY-WOLCWHLNSA-N 1 1 278.440 3.088 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)CCC(C)C)CC(C)(C)C1 ZINC001264191831 808046281 /nfs/dbraw/zinc/04/62/81/808046281.db2.gz ZNZGWHVIJVYKSS-INIZCTEOSA-N 1 1 292.467 3.053 20 30 CGEDMO N#C[C@H]1CCC[N@H+]([C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171438453 808057241 /nfs/dbraw/zinc/05/72/41/808057241.db2.gz SGFCGSPJIUFBDR-DZGCQCFKSA-N 1 1 272.367 3.309 20 30 CGEDMO CC#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC/C=C\CC ZINC001264369353 808061000 /nfs/dbraw/zinc/06/10/00/808061000.db2.gz UYRPPCWOVUHPGC-NBEHIINDSA-N 1 1 290.451 3.069 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CC(CC)CC)[C@H]1C ZINC001264724668 808087477 /nfs/dbraw/zinc/08/74/77/808087477.db2.gz CMQFIEGAPOQRSD-ZBFHGGJFSA-N 1 1 280.456 3.358 20 30 CGEDMO N#CC1CC[NH+]([C@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171530460 808087505 /nfs/dbraw/zinc/08/75/05/808087505.db2.gz SDUCSKNLVFPKTO-LBPRGKRZSA-N 1 1 294.320 3.197 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)C(C)C)CC(C)(C)C1 ZINC001264753202 808091505 /nfs/dbraw/zinc/09/15/05/808091505.db2.gz CZIYVTFQNRRKGQ-LSDHHAIUSA-N 1 1 280.456 3.071 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](NC(=O)C#CC(C)(C)C)CC(C)(C)C1 ZINC001264752330 808092274 /nfs/dbraw/zinc/09/22/74/808092274.db2.gz YUUGDULGRMKVSX-HNNXBMFYSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CC[N@H+](C)CCCNC(=O)[C@H](C)CC1CCCCC1 ZINC001265063159 808107613 /nfs/dbraw/zinc/10/76/13/808107613.db2.gz ASDNXJLQBXILGF-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCCNC(=O)[C@H]1CC[C@H](C)C1 ZINC001265136680 808112846 /nfs/dbraw/zinc/11/28/46/808112846.db2.gz DLAKJTNXUPPFDT-HOTGVXAUSA-N 1 1 280.456 3.217 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)C[C@H](CC)CCCC)C1 ZINC001265221315 808120467 /nfs/dbraw/zinc/12/04/67/808120467.db2.gz XRQLHSVYLBFIMZ-SJORKVTESA-N 1 1 292.467 3.197 20 30 CGEDMO C[C@H]1C[C@@H](NC2(CC#N)CCCC2)C[N@H+]1Cc1ccccc1 ZINC001171747066 808130358 /nfs/dbraw/zinc/13/03/58/808130358.db2.gz WLMSYWYAFSUSGF-FUHWJXTLSA-N 1 1 297.446 3.465 20 30 CGEDMO C[C@H]1C[C@@H]([NH2+]C2(CC#N)CCCC2)CN1Cc1ccccc1 ZINC001171747066 808130361 /nfs/dbraw/zinc/13/03/61/808130361.db2.gz WLMSYWYAFSUSGF-FUHWJXTLSA-N 1 1 297.446 3.465 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@H](C=C)c2ccccc2)C1 ZINC001265317096 808130768 /nfs/dbraw/zinc/13/07/68/808130768.db2.gz JLAXMQWZDRYNEC-QZTJIDSGSA-N 1 1 298.430 3.113 20 30 CGEDMO C[C@@H]1C[C@@H](N2CCC(C)(C#N)CC2)C[N@H+]1Cc1ccccc1 ZINC001171759929 808132043 /nfs/dbraw/zinc/13/20/43/808132043.db2.gz OLPRQWHVBSWFDI-SJLPKXTDSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1C[C@@H](N2CCC(S)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171761582 808132286 /nfs/dbraw/zinc/13/22/86/808132286.db2.gz DLPSLLDYPCFFNJ-GDBMZVCRSA-N 1 1 290.476 3.044 20 30 CGEDMO C[C@@H]1C[C@@H](N2CCC(S)CC2)C[N@H+]1Cc1ccccc1 ZINC001171761582 808132289 /nfs/dbraw/zinc/13/22/89/808132289.db2.gz DLPSLLDYPCFFNJ-GDBMZVCRSA-N 1 1 290.476 3.044 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@H]2CC=CCC2)C1 ZINC001265392839 808138387 /nfs/dbraw/zinc/13/83/87/808138387.db2.gz MTYFDPAHCMVKRF-IRXDYDNUSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)C2CCCC2)C1 ZINC001265396280 808139666 /nfs/dbraw/zinc/13/96/66/808139666.db2.gz AGLPGFZWZWEJHC-CVEARBPZSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@H](C(=O)OC)[C@H]2CCCC[C@@H]21 ZINC001171810326 808146016 /nfs/dbraw/zinc/14/60/16/808146016.db2.gz PWJRVGBLVAMKJT-PMPSAXMXSA-N 1 1 279.424 3.396 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)CC(C)=C(C)C)C1 ZINC001265588910 808158249 /nfs/dbraw/zinc/15/82/49/808158249.db2.gz KAYOZNYNHYJSAW-INIZCTEOSA-N 1 1 278.440 3.137 20 30 CGEDMO CC#CC[N@H+]1CCC[C@H](CNC(=O)CCCCC(C)C)C1 ZINC001265592859 808158600 /nfs/dbraw/zinc/15/86/00/808158600.db2.gz LHZCNVICYPNILU-QGZVFWFLSA-N 1 1 292.467 3.054 20 30 CGEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](CC)CCCCC ZINC001265658197 808165761 /nfs/dbraw/zinc/16/57/61/808165761.db2.gz TYIBNYFGCLWVQW-IRXDYDNUSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](C)C1CC1 ZINC001265658336 808165929 /nfs/dbraw/zinc/16/59/29/808165929.db2.gz WXCLYHSZFUPZEY-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)CC(CC)CC ZINC001265655480 808166230 /nfs/dbraw/zinc/16/62/30/808166230.db2.gz IYLZHFUEUPULCN-INIZCTEOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001265702861 808170644 /nfs/dbraw/zinc/17/06/44/808170644.db2.gz IUONSZJEROQDSA-HOCLYGCPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC(=O)N[C@H](C)[C@H]1CCC[N@H+](CCC(C)C)C1 ZINC001265699925 808171143 /nfs/dbraw/zinc/17/11/43/808171143.db2.gz KGYKIPUFVJASIG-CVEARBPZSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2(CC)CCC2)C1 ZINC001265704827 808171952 /nfs/dbraw/zinc/17/19/52/808171952.db2.gz ALQTVXGAGDWSBF-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)CC)C1 ZINC001265704871 808172264 /nfs/dbraw/zinc/17/22/64/808172264.db2.gz BFIQUTQRNDBXHT-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CC(CC)CC)C1 ZINC001265708466 808172288 /nfs/dbraw/zinc/17/22/88/808172288.db2.gz OHWXKNVSJRYCTA-RDJZCZTQSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@@H+](C)CCCNC(=O)c1ccc(F)c(C)c1 ZINC001265915198 808192990 /nfs/dbraw/zinc/19/29/90/808192990.db2.gz XYUKUQJEQRKRSP-UHFFFAOYSA-N 1 1 292.398 3.152 20 30 CGEDMO N#CC[C@H]1CCC[N@H+]([C@H]2CSc3ccccc3C2)C1 ZINC001172204347 808197893 /nfs/dbraw/zinc/19/78/93/808197893.db2.gz ZTMBZIIWAMREKO-UKRRQHHQSA-N 1 1 272.417 3.329 20 30 CGEDMO C=C(C)C[N@@H+](CCCNC(=O)[C@H]1CCCC1(C)C)C1CC1 ZINC001266153885 808219828 /nfs/dbraw/zinc/21/98/28/808219828.db2.gz WBGLWMARPVKGIN-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C1CC(C)(C(=O)NCCC[N@H+](CC=C(C)C)C2CC2)C1 ZINC001266159324 808221700 /nfs/dbraw/zinc/22/17/00/808221700.db2.gz MGIXBXMFDPEJDS-UHFFFAOYSA-N 1 1 290.451 3.280 20 30 CGEDMO CC(C)[N@@H+]([C@@H](C)Cc1ccc(C#N)cc1)C1CCN(C)CC1 ZINC001172312172 808223893 /nfs/dbraw/zinc/22/38/93/808223893.db2.gz FNCPVTIVXREHPO-INIZCTEOSA-N 1 1 299.462 3.294 20 30 CGEDMO CC(C)[N@@H+](CCCCCO)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172313286 808223937 /nfs/dbraw/zinc/22/39/37/808223937.db2.gz TZRGAAUNNQQPIT-INIZCTEOSA-N 1 1 288.435 3.362 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H](F)CC1 ZINC001172316740 808227269 /nfs/dbraw/zinc/22/72/69/808227269.db2.gz WQUOISRDTVWEST-XJKSGUPXSA-N 1 1 260.356 3.313 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H](CF)C1 ZINC001172318317 808227786 /nfs/dbraw/zinc/22/77/86/808227786.db2.gz DZMXBJXDMQCPEA-CZUORRHYSA-N 1 1 260.356 3.171 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C(F)F)C1 ZINC001172319045 808228160 /nfs/dbraw/zinc/22/81/60/808228160.db2.gz KMQVMCHEUQXHHA-SWLSCSKDSA-N 1 1 278.346 3.466 20 30 CGEDMO CC[N@@H+](CCN1CCCCC1)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172318230 808228329 /nfs/dbraw/zinc/22/83/29/808228329.db2.gz CYZWPBHFMZZJKU-QGZVFWFLSA-N 1 1 299.462 3.297 20 30 CGEDMO CCN(CC[NH+]1CCCCC1)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172318230 808228335 /nfs/dbraw/zinc/22/83/35/808228335.db2.gz CYZWPBHFMZZJKU-QGZVFWFLSA-N 1 1 299.462 3.297 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C(CC)(CC)CC)C1 ZINC001266242748 808231865 /nfs/dbraw/zinc/23/18/65/808231865.db2.gz GWFLLEGSORLCLZ-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCCC(=O)NCC[N@H+](C)Cc1ccc(C)c(C)c1 ZINC001266315807 808241276 /nfs/dbraw/zinc/24/12/76/808241276.db2.gz GMKZSUYIHDRRKG-UHFFFAOYSA-N 1 1 288.435 3.208 20 30 CGEDMO C=C(C)C[N@H+](C)CCNC(=O)[C@H](C)c1ccc(Cl)cc1 ZINC001266320376 808242068 /nfs/dbraw/zinc/24/20/68/808242068.db2.gz JBSXHPCEHUBZDI-CYBMUJFWSA-N 1 1 294.826 3.068 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(F)cc1C ZINC001266350715 808247012 /nfs/dbraw/zinc/24/70/12/808247012.db2.gz QJOLWCKWXVJIBL-CQSZACIVSA-N 1 1 292.398 3.150 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)C[C@@H]1CCC[C@H]1C ZINC001266392441 808256333 /nfs/dbraw/zinc/25/63/33/808256333.db2.gz HSLWLGXVUFITOR-CVEARBPZSA-N 1 1 280.456 3.217 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CCOC[C@@H]1COC ZINC001172362366 808257045 /nfs/dbraw/zinc/25/70/45/808257045.db2.gz WQOXOUDZMQGHAC-CVEARBPZSA-N 1 1 271.445 3.473 20 30 CGEDMO C=CC[N@@H+](CC)CCNC(=O)C[C@@H](C)c1ccccc1C ZINC001266420976 808260678 /nfs/dbraw/zinc/26/06/78/808260678.db2.gz OZJIAMQJHPPFJO-MRXNPFEDSA-N 1 1 288.435 3.113 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CCC2CC2)C1 ZINC001266452961 808266618 /nfs/dbraw/zinc/26/66/18/808266618.db2.gz VCOQSBPQUNIRAC-HNNXBMFYSA-N 1 1 298.858 3.100 20 30 CGEDMO C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](CC)CCC)C1 ZINC001266469293 808271547 /nfs/dbraw/zinc/27/15/47/808271547.db2.gz IYIYHWVVFLCBCS-SJORKVTESA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)CCCC#CC ZINC001266476655 808272235 /nfs/dbraw/zinc/27/22/35/808272235.db2.gz AGSALWLIYRSULW-SJORKVTESA-N 1 1 290.451 3.115 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@H](C)CC(C)C)C1 ZINC001266472873 808272512 /nfs/dbraw/zinc/27/25/12/808272512.db2.gz SIIQYUWOQHMBBX-SJORKVTESA-N 1 1 294.483 3.415 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)CC1CCC(C)(C)CC1 ZINC001266497973 808276656 /nfs/dbraw/zinc/27/66/56/808276656.db2.gz OFANMMDDPGILQU-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CC[N@@H+](CCC)CCNC(=O)c1ccccc1C1CCC1 ZINC001266577565 808289705 /nfs/dbraw/zinc/28/97/05/808289705.db2.gz PYNWWBIDTFTHFP-UHFFFAOYSA-N 1 1 298.430 3.029 20 30 CGEDMO C=CCCC[N@H+](CCNC(=O)[C@@]1(C)CC=CCC1)C1CC1 ZINC001266595156 808293446 /nfs/dbraw/zinc/29/34/46/808293446.db2.gz ZTBDBXQHDSFNSM-SFHVURJKSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]2C[N@@H+](CC(=C)C)CC[C@@H]21 ZINC001266659474 808302779 /nfs/dbraw/zinc/30/27/79/808302779.db2.gz PYBQWXHEFVAYSI-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)C1(C)CCCC1 ZINC001266848428 808323797 /nfs/dbraw/zinc/32/37/97/808323797.db2.gz APBFGYTZBNJPFI-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)CC=C)C1 ZINC001266895724 808332705 /nfs/dbraw/zinc/33/27/05/808332705.db2.gz SALLOCYRUZZYAM-JKSUJKDBSA-N 1 1 292.467 3.382 20 30 CGEDMO CCOC(=O)[C@]1(C)CCCC[N@H+]([C@@H](C)CCCC#N)C1 ZINC001172492265 808351648 /nfs/dbraw/zinc/35/16/48/808351648.db2.gz JULVLZJYTNXWER-GOEBONIOSA-N 1 1 280.412 3.124 20 30 CGEDMO C[C@@H](CCCC#N)[N@@H+](C)Cc1ccc(F)cc1F ZINC001172497884 808355606 /nfs/dbraw/zinc/35/56/06/808355606.db2.gz HFKMHCXKGMQVQJ-NSHDSACASA-N 1 1 252.308 3.479 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC001172503654 808359174 /nfs/dbraw/zinc/35/91/74/808359174.db2.gz BGDXWQMLZOXPNY-XJKSGUPXSA-N 1 1 276.355 3.361 20 30 CGEDMO Cc1cccc(O[C@H]2CCC[N@H+]([C@@H](C)CCCC#N)C2)n1 ZINC001172506661 808362650 /nfs/dbraw/zinc/36/26/50/808362650.db2.gz YQPRUVQXFZGMEN-HOTGVXAUSA-N 1 1 287.407 3.316 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001172508216 808363828 /nfs/dbraw/zinc/36/38/28/808363828.db2.gz BUSGYUGADJDYKP-CRAIPNDOSA-N 1 1 297.402 3.484 20 30 CGEDMO C[C@@H](CCCC#N)[N@@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC001172508950 808365315 /nfs/dbraw/zinc/36/53/15/808365315.db2.gz HYDRVGXQEWUIFO-BBRMVZONSA-N 1 1 276.355 3.281 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC001172508950 808365325 /nfs/dbraw/zinc/36/53/25/808365325.db2.gz HYDRVGXQEWUIFO-BBRMVZONSA-N 1 1 276.355 3.281 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@H](Oc2ccncc2)C1 ZINC001172509807 808366791 /nfs/dbraw/zinc/36/67/91/808366791.db2.gz QVHYIEYYQJWITK-ZBFHGGJFSA-N 1 1 273.380 3.007 20 30 CGEDMO CCCCCCC[C@@H](CCC)[N@H+]1CC[C@@H](C(N)=O)C1 ZINC001172512089 808367171 /nfs/dbraw/zinc/36/71/71/808367171.db2.gz YRHOSLHWQGRCES-HUUCEWRRSA-N 1 1 268.445 3.323 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]1CCCNC(=O)C=C(C)C ZINC001267161676 808371822 /nfs/dbraw/zinc/37/18/22/808371822.db2.gz QKJGGALAALRCAR-MRXNPFEDSA-N 1 1 278.440 3.280 20 30 CGEDMO C=C1CC(C)(C(=O)NCC[N@H+](CC)CC/C=C\CC)C1 ZINC001267251336 808397039 /nfs/dbraw/zinc/39/70/39/808397039.db2.gz CRKBXQLUDJZAPY-FPLPWBNLSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+]1CC/C=C\CC ZINC001267271829 808400995 /nfs/dbraw/zinc/40/09/95/808400995.db2.gz DBUIPOZNQLHRAU-LZNQSLFOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)C1(CC)CCCCC1 ZINC001267283509 808404475 /nfs/dbraw/zinc/40/44/75/808404475.db2.gz XKMDEQZHTFJXCR-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1CC[N@H+](CC/C=C\CC)C1 ZINC001267298173 808406030 /nfs/dbraw/zinc/40/60/30/808406030.db2.gz KOWSOUVGEYYEFR-PTZVLDCSSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)C2CCCC2)C1 ZINC001267306197 808407960 /nfs/dbraw/zinc/40/79/60/808407960.db2.gz FMZRTUMPGIZMDL-HOTGVXAUSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CC[N@H+](CCCCC)C2)CCC1 ZINC001267301875 808408537 /nfs/dbraw/zinc/40/85/37/808408537.db2.gz HYKGKNSQVJPZTJ-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)CC[N@@H+](CCC)CCNC(=O)[C@]12C[C@H]1CCCC2 ZINC001267316742 808411553 /nfs/dbraw/zinc/41/15/53/808411553.db2.gz AXPHPMDDJQRBMB-SJLPKXTDSA-N 1 1 292.467 3.361 20 30 CGEDMO CC(C)C#CC(=O)NCC[N@@H+](CCCC(C)(C)C)C1CC1 ZINC001267326188 808416266 /nfs/dbraw/zinc/41/62/66/808416266.db2.gz QZEFUAIGNFVHFY-UHFFFAOYSA-N 1 1 292.467 3.053 20 30 CGEDMO N#C[C@H]1CCC[N@H+]([C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172721412 808419122 /nfs/dbraw/zinc/41/91/22/808419122.db2.gz DXADOFDAVGACDR-LRDDRELGSA-N 1 1 274.795 3.433 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)[C@@H](C)c1ccc(C)o1)C(C)C ZINC001267510270 808436548 /nfs/dbraw/zinc/43/65/48/808436548.db2.gz IXHMXDHJIRGKHG-HNNXBMFYSA-N 1 1 292.423 3.094 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)C(C)C)C1 ZINC001267530416 808440847 /nfs/dbraw/zinc/44/08/47/808440847.db2.gz BLOHFSYQQWFMKA-HNNXBMFYSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCC[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001267564869 808447527 /nfs/dbraw/zinc/44/75/27/808447527.db2.gz GPYWBSDMDPLWPV-FUHWJXTLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC[C@@H]1CC[N@H+](C[C@@H](C)CC)C1 ZINC001267560425 808448539 /nfs/dbraw/zinc/44/85/39/808448539.db2.gz HANKUDCAUHLCBU-JKSUJKDBSA-N 1 1 294.483 3.463 20 30 CGEDMO CC#CC[N@H+]1CC[C@H](CCNC(=O)CCCCC(C)C)C1 ZINC001267569322 808449739 /nfs/dbraw/zinc/44/97/39/808449739.db2.gz SOOWJYBRQAYGBV-KRWDZBQOSA-N 1 1 292.467 3.054 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@]2(C)CC=CCC2)C1 ZINC001267584228 808453456 /nfs/dbraw/zinc/45/34/56/808453456.db2.gz YUJZQLJSUWIHMT-FUHWJXTLSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC[N@H+](C)CC1CCN(C(=O)c2ccc(C=C)cc2)CC1 ZINC001267603334 808456993 /nfs/dbraw/zinc/45/69/93/808456993.db2.gz PHVWGZSVXYNGIU-UHFFFAOYSA-N 1 1 298.430 3.300 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC(C[N@H+](C)CCC(C)C)CC1 ZINC001267601148 808457386 /nfs/dbraw/zinc/45/73/86/808457386.db2.gz XNJZCWSSTKGWGG-UHFFFAOYSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001267619981 808459003 /nfs/dbraw/zinc/45/90/03/808459003.db2.gz NASYUWQJUZHMIA-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)c2oc(C)cc2C)C1 ZINC001267642045 808463941 /nfs/dbraw/zinc/46/39/41/808463941.db2.gz SYAIWNPKFSSDNI-UHFFFAOYSA-N 1 1 292.423 3.281 20 30 CGEDMO C[C@H](Cc1ccc(F)cc1Cl)[NH+]1CC(CC#N)C1 ZINC001172863800 808467198 /nfs/dbraw/zinc/46/71/98/808467198.db2.gz KPHPLYLIORPCIO-SNVBAGLBSA-N 1 1 266.747 3.256 20 30 CGEDMO C#CC[N@H+](C)C[C@H]1CCN(C(=O)C[C@@H](C)CCCCC)C1 ZINC001267689261 808470580 /nfs/dbraw/zinc/47/05/80/808470580.db2.gz CPZHHMDQFMWRPO-DLBZAZTESA-N 1 1 292.467 3.006 20 30 CGEDMO C[C@@H](CSc1ccc(Cl)cc1)[NH2+]CCC#N ZINC001172872379 808472160 /nfs/dbraw/zinc/47/21/60/808472160.db2.gz YIZGQEABKWSRLC-JTQLQIEISA-N 1 1 254.786 3.324 20 30 CGEDMO C=C(C)C[N@H+](C)CC1CCN(C(=O)C2(CC)CCC2)CC1 ZINC001267739483 808480086 /nfs/dbraw/zinc/48/00/86/808480086.db2.gz DUCLTKLDJLHRFD-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@H+](C)CC1CCN(C(=O)C/C=C(/C)C=C)CC1 ZINC001267740074 808481308 /nfs/dbraw/zinc/48/13/08/808481308.db2.gz SETSEDLMYMZCBL-PXNMLYILSA-N 1 1 290.451 3.255 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CCC)C(C)C)C1 ZINC001267750262 808483670 /nfs/dbraw/zinc/48/36/70/808483670.db2.gz XGUPTPYHJSQXDK-CVEARBPZSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC(=O)N(C)[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001267759955 808484753 /nfs/dbraw/zinc/48/47/53/808484753.db2.gz SKLYDVPSRYQKRC-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC(C)(C)C(=O)N(C)[C@H]1CC[N@H+](CC/C=C/CCC)C1 ZINC001267768005 808486361 /nfs/dbraw/zinc/48/63/61/808486361.db2.gz LMAJOLQWNAMQMV-SCOAYWHSSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)C(C)(C)F)C1 ZINC001267780373 808489687 /nfs/dbraw/zinc/48/96/87/808489687.db2.gz MWKSUCOPAOHXHS-ZIAGYGMSSA-N 1 1 284.419 3.012 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)C2(F)CCCCC2)C1 ZINC001267789440 808493127 /nfs/dbraw/zinc/49/31/27/808493127.db2.gz FOFPDVCEIXRGSW-OAHLLOKOSA-N 1 1 296.430 3.158 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)C[C@@H](C)CC(C)C)C1 ZINC001267790666 808494369 /nfs/dbraw/zinc/49/43/69/808494369.db2.gz RKFHXURLEVRMQG-IRXDYDNUSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)CCCCC(C)C)C1 ZINC001267789425 808494386 /nfs/dbraw/zinc/49/43/86/808494386.db2.gz FKLVRHVPZKLVPL-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO CC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172988215 808497429 /nfs/dbraw/zinc/49/74/29/808497429.db2.gz IVQTWRAPGFGNEW-IHRRRGAJSA-N 1 1 295.427 3.008 20 30 CGEDMO C#C[C@H]1CCC[N@H+](C2CCC3(CCOCC3)CC2)C1 ZINC001173048794 808500122 /nfs/dbraw/zinc/50/01/22/808500122.db2.gz VAOCTNBVNJVRET-HNNXBMFYSA-N 1 1 261.409 3.071 20 30 CGEDMO CC[N@H+](CCC#N)[C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173071337 808503037 /nfs/dbraw/zinc/50/30/37/808503037.db2.gz OJZWXAQJSZRLKH-ZIAGYGMSSA-N 1 1 295.427 3.010 20 30 CGEDMO CC[N@@H+](CCC#N)[C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173071337 808503039 /nfs/dbraw/zinc/50/30/39/808503039.db2.gz OJZWXAQJSZRLKH-ZIAGYGMSSA-N 1 1 295.427 3.010 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)CC(C)(C)C2CC2)C1 ZINC001267931391 808516438 /nfs/dbraw/zinc/51/64/38/808516438.db2.gz SZLJUCKLJGCUJN-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCCCCCC(=O)N[C@@H]1CCC[N@H+](CCC(C)C)C1 ZINC001267956651 808521671 /nfs/dbraw/zinc/52/16/71/808521671.db2.gz MCZFBLWXRIFXKZ-QGZVFWFLSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@H+]1CCC2(C1)CCN(C(=O)CCC=C)CC2 ZINC001267972395 808522706 /nfs/dbraw/zinc/52/27/06/808522706.db2.gz FQVNWQXITRFAKU-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO N#CCC[N@@H+](C1CCCC1)[C@H]1CCc2ncsc2C1 ZINC001173139475 808524078 /nfs/dbraw/zinc/52/40/78/808524078.db2.gz UHFUSGLXFHBVQC-ZDUSSCGKSA-N 1 1 275.421 3.159 20 30 CGEDMO C=CCOC(=O)[C@@H]([NH2+][C@H]1CC[C@H](CC)C1)[C@@H](C)CC ZINC001173265714 808571080 /nfs/dbraw/zinc/57/10/80/808571080.db2.gz IMURXDMFQNEVNL-AJNGGQMLSA-N 1 1 267.413 3.299 20 30 CGEDMO C=CC(C)(C)C(=O)NC1C[NH+]([C@H](CC)c2ccccc2)C1 ZINC001268438542 808586373 /nfs/dbraw/zinc/58/63/73/808586373.db2.gz UHPWVROSAYEBAN-MRXNPFEDSA-N 1 1 286.419 3.150 20 30 CGEDMO C=CCOC1CCC([N@H+]2CC[C@H]3OCCC[C@H]3C2)CC1 ZINC001173319275 808609926 /nfs/dbraw/zinc/60/99/26/808609926.db2.gz CEXHCKYYYUKTJT-ZGRYLRDCSA-N 1 1 279.424 3.001 20 30 CGEDMO C=CCOC1CCC([N@H+]2CC[C@H](OCCC)C2)CC1 ZINC001173321238 808611367 /nfs/dbraw/zinc/61/13/67/808611367.db2.gz YYBXADINTAVZLD-GPANFISMSA-N 1 1 267.413 3.001 20 30 CGEDMO CCOC(=O)C[C@H]1CCC[N@H+](C2CCC(CC#N)CC2)C1 ZINC001173331012 808615831 /nfs/dbraw/zinc/61/58/31/808615831.db2.gz JQJKSUZHAULMCD-HWOWSKLDSA-N 1 1 292.423 3.124 20 30 CGEDMO N#CCC1CCC([N@@H+]2CCC(=O)[C@H]3CCCC[C@H]32)CC1 ZINC001173331403 808616458 /nfs/dbraw/zinc/61/64/58/808616458.db2.gz OWGUCBIQMBJLKC-SSHXOBKSSA-N 1 1 274.408 3.292 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)c1cc(F)ccc1CC ZINC001268737660 808617585 /nfs/dbraw/zinc/61/75/85/808617585.db2.gz LRVKFOJFNSJHII-CYBMUJFWSA-N 1 1 292.398 3.014 20 30 CGEDMO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)C1CCC(CC#N)CC1 ZINC001173336599 808617823 /nfs/dbraw/zinc/61/78/23/808617823.db2.gz GAAKLYKOOWYHHK-HSBZDZAISA-N 1 1 280.412 3.121 20 30 CGEDMO CC[N@@H+](CCN1CCCCC1)C1CCC(CC#N)CC1 ZINC001173337298 808618363 /nfs/dbraw/zinc/61/83/63/808618363.db2.gz FVCYJYUJADBWBH-UHFFFAOYSA-N 1 1 277.456 3.267 20 30 CGEDMO C[N@@H+](C[C@@H]1Cc2ccccc2O1)C1CCC(CC#N)CC1 ZINC001173338034 808618846 /nfs/dbraw/zinc/61/88/46/808618846.db2.gz FDFJMMGNNYAOCY-PREGVCBESA-N 1 1 284.403 3.394 20 30 CGEDMO CCOC(=O)C[N@@H+](C1CCCC1)C1CCC(CC#N)CC1 ZINC001173341093 808619669 /nfs/dbraw/zinc/61/96/69/808619669.db2.gz PQAVZWMQPMZXEK-UHFFFAOYSA-N 1 1 292.423 3.267 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@H]1CC[N@H+](CC/C=C/CC)C1 ZINC001269056733 808644116 /nfs/dbraw/zinc/64/41/16/808644116.db2.gz JFLYGJVVYDWERW-HABDOHHLSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[N@H+](CCCCCF)C2)CC1 ZINC001269061179 808644362 /nfs/dbraw/zinc/64/43/62/808644362.db2.gz DXGKSMQSMXSMNE-INIZCTEOSA-N 1 1 296.430 3.063 20 30 CGEDMO CC1(C#N)CCC([N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)CC1 ZINC001173594107 808650189 /nfs/dbraw/zinc/65/01/89/808650189.db2.gz RNGSBDPSIYGNRF-ZIHBUVQPSA-N 1 1 268.351 3.436 20 30 CGEDMO CC[N@@H+](CCN1CCCCC1)C1CCC(C)(C#N)CC1 ZINC001173598681 808650930 /nfs/dbraw/zinc/65/09/30/808650930.db2.gz UFXLFBQXYGBSCV-UHFFFAOYSA-N 1 1 277.456 3.267 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CC[C@H](COCC3CC3)C2)CC1 ZINC001173598926 808650983 /nfs/dbraw/zinc/65/09/83/808650983.db2.gz WAAQBMDMYOWJAI-GTPINHCMSA-N 1 1 276.424 3.207 20 30 CGEDMO Cc1cc2c(cn1)C[N@H+](C1CCC(C)(C#N)CC1)C2 ZINC001173598641 808651453 /nfs/dbraw/zinc/65/14/53/808651453.db2.gz SHWJBNYJFSYWLB-UHFFFAOYSA-N 1 1 255.365 3.178 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)c1ccc(C)s1 ZINC001269189123 808652854 /nfs/dbraw/zinc/65/28/54/808652854.db2.gz OMTYUOLNSOKKKS-OCCSQVGLSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)/C=C/C(C)(C)C)C1 ZINC001269222374 808657817 /nfs/dbraw/zinc/65/78/17/808657817.db2.gz WYMYGSNKSDQKBN-VMNGNHSPSA-N 1 1 292.467 3.476 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)C2C(C)(C)C2(C)C)C1 ZINC001269226942 808658454 /nfs/dbraw/zinc/65/84/54/808658454.db2.gz FBQVHXCMIJYFCA-CQSZACIVSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C1CC=C(F)C=C1[NH2+][C@H]1CC[C@H](CC(=O)OCC)C1 ZINC001173651017 808659239 /nfs/dbraw/zinc/65/92/39/808659239.db2.gz JXOWNSYFPSITOB-JSGCOSHPSA-N 1 1 279.355 3.395 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)CCCCC(C)(C)C)C1 ZINC001269246219 808659333 /nfs/dbraw/zinc/65/93/33/808659333.db2.gz ULEWKFADTIBDRO-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC(C)(C)C(=O)N(C)[C@H]1CC[N@H+](C[C@@H](C)CC)C1 ZINC001269281861 808663769 /nfs/dbraw/zinc/66/37/69/808663769.db2.gz VJMRBKOXBQICLV-GJZGRUSLSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@H+](CCNC(=O)CC)C1CCCCCC1 ZINC001269605581 808691226 /nfs/dbraw/zinc/69/12/26/808691226.db2.gz UAWLOEXVAPOLJM-UHFFFAOYSA-N 1 1 266.429 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)/C=C(/C)CC)C2)C1 ZINC001269693680 808697123 /nfs/dbraw/zinc/69/71/23/808697123.db2.gz XYVJCZYOKFPEIE-BBLCHGJFSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCCCC(=O)N1CCC2(CC[N@H+](CC(C)C)C2)CC1 ZINC001270335759 808726651 /nfs/dbraw/zinc/72/66/51/808726651.db2.gz IUWMYFODILTANG-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@](C)(NC(=O)c2ccoc2CC)C1 ZINC001270576393 808736659 /nfs/dbraw/zinc/73/66/59/808736659.db2.gz KYZQMYDMTHZHGX-KRWDZBQOSA-N 1 1 290.407 3.002 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(CCC)CCC1 ZINC001272031888 808793741 /nfs/dbraw/zinc/79/37/41/808793741.db2.gz AVQOUHFNIQKUCA-JKSUJKDBSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCCC=C ZINC001272035413 808793977 /nfs/dbraw/zinc/79/39/77/808793977.db2.gz VXKRBVGIAYYKRW-DLBZAZTESA-N 1 1 290.451 3.374 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)C(C1CCC1)C1CCC1 ZINC001272093707 808795866 /nfs/dbraw/zinc/79/58/66/808795866.db2.gz UATHDLMZBVDKQM-UHFFFAOYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+](C)CCN(C)C(=O)c1ccc(C(C)(C)C)cc1 ZINC001272158836 808799295 /nfs/dbraw/zinc/79/92/95/808799295.db2.gz XGEOQIJAIVTAIH-UHFFFAOYSA-N 1 1 288.435 3.174 20 30 CGEDMO C=CCN1CC[C@@]2(CCC[N@@H+]2C[C@@H](CC)CCCC)C1=O ZINC001272429459 808808023 /nfs/dbraw/zinc/80/80/23/808808023.db2.gz KTVGBFQQQOULPX-WMZOPIPTSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCCCCC[N@@H+]1CCC[C@@]2(CCN(C)C2=O)CC1 ZINC001272706988 808821813 /nfs/dbraw/zinc/82/18/13/808821813.db2.gz LLUFDUQXBLECFV-GOSISDBHSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@]12CCN(CC(=C)C)C2=O ZINC001272700453 808821948 /nfs/dbraw/zinc/82/19/48/808821948.db2.gz XMJASLXYNRGBED-GOSISDBHSA-N 1 1 290.451 3.376 20 30 CGEDMO N#Cc1ccc(F)c(Nc2cc[nH+]c3ccccc23)c1 ZINC001174039902 808839214 /nfs/dbraw/zinc/83/92/14/808839214.db2.gz HFPXXMRXOLXBLU-UHFFFAOYSA-N 1 1 263.275 3.411 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@H]1[C@H]1CCC[N@H+](CCC)C1 ZINC001273599047 808856736 /nfs/dbraw/zinc/85/67/36/808856736.db2.gz NEPYICPMKYAPDE-IRXDYDNUSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](F)CC)C2 ZINC001273841043 808861570 /nfs/dbraw/zinc/86/15/70/808861570.db2.gz QNAGNQJCSKTHKB-NVXWUHKLSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)CC)C(C)(C)C1 ZINC001274417513 808874456 /nfs/dbraw/zinc/87/44/56/808874456.db2.gz WDDZLMUINQHEHN-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC(=O)NC[C@H]1c2ccccc2CC[N@@H+]1CCC=C ZINC001274847524 808889856 /nfs/dbraw/zinc/88/98/56/808889856.db2.gz PGFWPYGPHMWLOK-SFHVURJKSA-N 1 1 298.430 3.244 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](CC)CCCC ZINC001275086546 808906951 /nfs/dbraw/zinc/90/69/51/808906951.db2.gz DCDRYRIYPIRARA-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@@H]2C[N@H+](C)CCC(C)C)C1 ZINC001275143546 808915317 /nfs/dbraw/zinc/91/53/17/808915317.db2.gz NLGYQJVRHSUASS-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)c1ccsc1C ZINC001275551922 808947066 /nfs/dbraw/zinc/94/70/66/808947066.db2.gz MHUBCVRBCVPIGP-QWHCGFSZSA-N 1 1 294.464 3.461 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H](C)C[N@H+](C)CC/C=C\CC ZINC001275615711 808952256 /nfs/dbraw/zinc/95/22/56/808952256.db2.gz SUCWTGADTYBXRP-FJVVXJACSA-N 1 1 280.456 3.382 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H](C)C[N@H+](C)CC(CC)CC ZINC001275621332 808952865 /nfs/dbraw/zinc/95/28/65/808952865.db2.gz FTMGBZIFZIIYEK-ZDUSSCGKSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CC1(CC(=O)N[C@H](C)C[N@@H+](C)CCCF)CCCCC1 ZINC001275672173 808957043 /nfs/dbraw/zinc/95/70/43/808957043.db2.gz HBYWJEJFAZASTE-OAHLLOKOSA-N 1 1 298.446 3.309 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)CNC(=O)c1csc2ccccc21 ZINC001275886952 808974194 /nfs/dbraw/zinc/97/41/94/808974194.db2.gz IPXULPWOLBTHRF-LBPRGKRZSA-N 1 1 288.416 3.137 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)c1cccc(C)c1Cl ZINC001275963614 808981259 /nfs/dbraw/zinc/98/12/59/808981259.db2.gz QVZWLSISOAADQL-CYBMUJFWSA-N 1 1 294.826 3.275 20 30 CGEDMO N#Cc1ccnc(NC2=CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001174393395 808992729 /nfs/dbraw/zinc/99/27/29/808992729.db2.gz VUVYATPZIBEPTC-UHFFFAOYSA-N 1 1 290.370 3.155 20 30 CGEDMO C=CCCCC(=O)NC[C@H]1CCCCC[N@@H+]1C/C=C/Cl ZINC001276319284 809000490 /nfs/dbraw/zinc/00/04/90/809000490.db2.gz JSMLOYOVYBJMBF-KUCQQTCKSA-N 1 1 298.858 3.456 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C=C(CC)CC)C(C)(C)C1 ZINC001276570002 809016786 /nfs/dbraw/zinc/01/67/86/809016786.db2.gz KBUBMOARXPCJNX-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C#CCCCCCC(=O)N[C@@H]1C[N@H+](CC(C)C)CC1(C)C ZINC001276600243 809018736 /nfs/dbraw/zinc/01/87/36/809018736.db2.gz ADHPJCPATYTAMS-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CCCCCC(=O)N[C@H]1C[N@H+](CCC(C)C)CC1(C)C ZINC001276578492 809019430 /nfs/dbraw/zinc/01/94/30/809019430.db2.gz HQQLXQPDNUEBAR-INIZCTEOSA-N 1 1 292.467 3.053 20 30 CGEDMO Cc1cc(C#N)ccc1CN1CC2(CC[N@H+]2C2CCCC2)C1 ZINC001276858887 809036900 /nfs/dbraw/zinc/03/69/00/809036900.db2.gz QKMIXZBCEXTWEK-UHFFFAOYSA-N 1 1 295.430 3.069 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CC[N@@H+]2CCC(C)(C)C)CCC1 ZINC001276922853 809045557 /nfs/dbraw/zinc/04/55/57/809045557.db2.gz CDOQPCKAANXQIQ-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]1CNC(=O)CC1(C=C)CCCCC1 ZINC001276942410 809048819 /nfs/dbraw/zinc/04/88/19/809048819.db2.gz WGJWNZYXGLNGPF-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)C(C)(C)F)CC1 ZINC001277371758 809071126 /nfs/dbraw/zinc/07/11/26/809071126.db2.gz FDVVBSZRLLTFBE-ZDUSSCGKSA-N 1 1 284.419 3.012 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](CC)C(C)C ZINC001277359256 809071160 /nfs/dbraw/zinc/07/11/60/809071160.db2.gz BRXMGBHUQHBNAJ-ZACQAIPSSA-N 1 1 292.467 3.310 20 30 CGEDMO CC#CC[N@@H+](CCNC(=O)CC(C)C)C1CCCCCC1 ZINC001277369091 809071799 /nfs/dbraw/zinc/07/17/99/809071799.db2.gz RZESISAHSPTZIE-UHFFFAOYSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC(C)C ZINC001277431279 809075560 /nfs/dbraw/zinc/07/55/60/809075560.db2.gz CHOHQRLJRCWKEW-CALCHBBNSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC001277516788 809078371 /nfs/dbraw/zinc/07/83/71/809078371.db2.gz ONXXFMJWFQIASV-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO N#CCCCN1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001277943566 809107111 /nfs/dbraw/zinc/10/71/11/809107111.db2.gz YYDQBBQTXWAYQZ-KRWDZBQOSA-N 1 1 275.440 3.021 20 30 CGEDMO Cc1c[nH+]c(Nc2cccc(C3(C#N)CC3)c2)c(N)c1 ZINC001213313790 815263964 /nfs/dbraw/zinc/26/39/64/815263964.db2.gz FDIZXHOGKIPDFX-UHFFFAOYSA-N 1 1 264.332 3.271 20 30 CGEDMO C=CCCC(=O)N[C@]1(C)CC[N@H+](Cc2cccc(C)c2)C1 ZINC001278369384 809128293 /nfs/dbraw/zinc/12/82/93/809128293.db2.gz RLYSHDKSXOQMCK-GOSISDBHSA-N 1 1 286.419 3.042 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@]12CCC[C@H]1[N@@H+](CCC)CC2 ZINC001278449915 809134790 /nfs/dbraw/zinc/13/47/90/809134790.db2.gz AHLLKSGFWFWLIM-AEFFLSMTSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CCC[N@H+](CCC)[C@H]2C)CCC1 ZINC001278522480 809140516 /nfs/dbraw/zinc/14/05/16/809140516.db2.gz YDTIVXHVPHZMEP-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C#CCCCCCC[N@@H+]1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC001174734402 809146177 /nfs/dbraw/zinc/14/61/77/809146177.db2.gz HCOIQXUKLXJEDZ-ZFWWWQNUSA-N 1 1 273.367 3.315 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@@]1(C)CCC[N@@H+](CC(C)C)C1 ZINC001278676892 809151936 /nfs/dbraw/zinc/15/19/36/809151936.db2.gz BXTFXIXQMMIKHN-MSOLQXFVSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@]2(C)CCC[N@H+](C(C)C)C2)CC1 ZINC001278677231 809152294 /nfs/dbraw/zinc/15/22/94/809152294.db2.gz FWNMVEPIMMANHL-GOSISDBHSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](C(C)C)C2 ZINC001278947722 809157756 /nfs/dbraw/zinc/15/77/56/809157756.db2.gz KXZKIQRLCQOTRJ-XIRDDKMYSA-N 1 1 290.451 3.132 20 30 CGEDMO CCCCCCCCC(=O)N1C[C@@H]2C[N@H+](CCF)C[C@@H]2C1 ZINC001279410380 809172255 /nfs/dbraw/zinc/17/22/55/809172255.db2.gz XTZWHOORANOJFP-IYBDPMFKSA-N 1 1 298.446 3.097 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC ZINC001279529964 809173282 /nfs/dbraw/zinc/17/32/82/809173282.db2.gz RPFAJYQPQNTOCG-JKSUJKDBSA-N 1 1 278.440 3.208 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)/C(C)=C\CC ZINC001279542167 809173644 /nfs/dbraw/zinc/17/36/44/809173644.db2.gz MNEPVPIEAFBKSX-OQULSUTQSA-N 1 1 296.842 3.161 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)/C(C)=C\CC ZINC001279542167 809173647 /nfs/dbraw/zinc/17/36/47/809173647.db2.gz MNEPVPIEAFBKSX-OQULSUTQSA-N 1 1 296.842 3.161 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC[C@@H](C)F ZINC001279567734 809174934 /nfs/dbraw/zinc/17/49/34/809174934.db2.gz YSNKGGJJJPIFJU-BZUAXINKSA-N 1 1 296.430 3.156 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[C@H](C)C2CC2)CC1 ZINC001280776882 809199285 /nfs/dbraw/zinc/19/92/85/809199285.db2.gz MCGXWUMUOSIILJ-SWLSCSKDSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H]1CC1(C)C ZINC001280802087 809200832 /nfs/dbraw/zinc/20/08/32/809200832.db2.gz DHSXIOIPCWAUBX-LSDHHAIUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCCCC)C[C@H]1C ZINC001281653697 809216297 /nfs/dbraw/zinc/21/62/97/809216297.db2.gz UMIFQWWSYKOPDR-KGLIPLIRSA-N 1 1 286.847 3.288 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCCCC)C[C@H]1C ZINC001281653697 809216301 /nfs/dbraw/zinc/21/63/01/809216301.db2.gz UMIFQWWSYKOPDR-KGLIPLIRSA-N 1 1 286.847 3.288 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)/C=C(/C)CC)C[C@H]1C ZINC001281665524 809216621 /nfs/dbraw/zinc/21/66/21/809216621.db2.gz RVAXHYOZGIYNDJ-ZOAGNIGNSA-N 1 1 284.831 3.064 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)/C=C(/C)CC)C[C@H]1C ZINC001281665524 809216625 /nfs/dbraw/zinc/21/66/25/809216625.db2.gz RVAXHYOZGIYNDJ-ZOAGNIGNSA-N 1 1 284.831 3.064 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](C/C=C/Cl)[C@@H](C)C1 ZINC001281677954 809218425 /nfs/dbraw/zinc/21/84/25/809218425.db2.gz XULAQUMMWWAUOK-YESVKVCSSA-N 1 1 298.858 3.310 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)CCCCC(C)C ZINC001281965273 809226122 /nfs/dbraw/zinc/22/61/22/809226122.db2.gz QHZHNXMOGLMBGC-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC1(C)C ZINC001282448815 809248574 /nfs/dbraw/zinc/24/85/74/809248574.db2.gz DHUPPLZLFGOTOX-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1cc(C)[nH]c1C ZINC001282467879 809249432 /nfs/dbraw/zinc/24/94/32/809249432.db2.gz KCCXAKNGRDMESC-ZIAGYGMSSA-N 1 1 291.439 3.036 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C1(C)CC=CC1 ZINC001282674864 809259726 /nfs/dbraw/zinc/25/97/26/809259726.db2.gz IRNDGFQROSOOCU-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCCC(=O)N1CC2(C1)CCC[N@@H+](CC1CCC1)C2 ZINC001282972473 809267993 /nfs/dbraw/zinc/26/79/93/809267993.db2.gz JWBPNJNCQDMOIW-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C#CCCCCC(=O)N1CCC([N@H+](C)CCC(C)C)CC1 ZINC001283301974 809275558 /nfs/dbraw/zinc/27/55/58/809275558.db2.gz ODOAQCHOOXQQGK-UHFFFAOYSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)[C@H](C)CCC)CC1 ZINC001283296690 809275632 /nfs/dbraw/zinc/27/56/32/809275632.db2.gz NQCAKZCJOPAXDR-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@]12CCC[C@@H]1[N@@H+](C(C)C)CC2 ZINC001284055392 809294497 /nfs/dbraw/zinc/29/44/97/809294497.db2.gz AXRKMYQMYGOHFM-FUHWJXTLSA-N 1 1 290.451 3.276 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C(=O)C[C@H]1C=CCC1)C(C)C ZINC001284528750 809306534 /nfs/dbraw/zinc/30/65/34/809306534.db2.gz ZTXRZGQSPHQZAR-KRWDZBQOSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)C[C@@H](C)CC(C)C)CC1 ZINC001284979558 809321700 /nfs/dbraw/zinc/32/17/00/809321700.db2.gz ZEZQBSHGJCGAQL-INIZCTEOSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@H](C)C(C)(C)C)CC1 ZINC001284930406 809321918 /nfs/dbraw/zinc/32/19/18/809321918.db2.gz STNBTYKQUPMZDV-HNNXBMFYSA-N 1 1 292.467 3.383 20 30 CGEDMO CCCCCCCC[C@H](C)C(=O)N1CC[NH+](C)CC1 ZINC001290113220 809402426 /nfs/dbraw/zinc/40/24/26/809402426.db2.gz LJJSIVZOAFMADK-HNNXBMFYSA-N 1 1 268.445 3.147 20 30 CGEDMO C=CCCCCCN(C)C(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@@H+]2C1 ZINC001293771689 809453990 /nfs/dbraw/zinc/45/39/90/809453990.db2.gz XGUJMIIYNZDWJB-ZACQAIPSSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(CC)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001294614659 809472506 /nfs/dbraw/zinc/47/25/06/809472506.db2.gz NLBXQCSIILNEBK-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C[C@H](C(=O)OC)[N@@H+]1CCC(C)(C)[C@@H](c2ccccc2)C1 ZINC001176566716 809718368 /nfs/dbraw/zinc/71/83/68/809718368.db2.gz CEJWKWDWAOSXMP-HZPDHXFCSA-N 1 1 287.403 3.230 20 30 CGEDMO C=C[C@H](C(=O)OC)[N@H+]1CCC(C)(C)[C@@H](c2ccccc2)C1 ZINC001176566716 809718372 /nfs/dbraw/zinc/71/83/72/809718372.db2.gz CEJWKWDWAOSXMP-HZPDHXFCSA-N 1 1 287.403 3.230 20 30 CGEDMO C#CCOc1ccc(C[NH2+]Cc2cccnc2Cl)cc1 ZINC001178754292 809885949 /nfs/dbraw/zinc/88/59/49/809885949.db2.gz IKOSPDFBFHCUNF-UHFFFAOYSA-N 1 1 286.762 3.037 20 30 CGEDMO N#Cc1ccc(Br)c(C[NH2+]C/C=C\Cl)c1 ZINC001179747265 809941496 /nfs/dbraw/zinc/94/14/96/809941496.db2.gz INTQVJUHNRJKNN-RJRFIUFISA-N 1 1 285.572 3.163 20 30 CGEDMO C[C@H](C#N)C[N@H+](C)[C@@H](C)c1nccc2ccccc21 ZINC001180239538 809985414 /nfs/dbraw/zinc/98/54/14/809985414.db2.gz MHATZSVLWVGUGO-OLZOCXBDSA-N 1 1 253.349 3.387 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C)[C@@H](C)c1nccc2ccccc21 ZINC001180239538 809985417 /nfs/dbraw/zinc/98/54/17/809985417.db2.gz MHATZSVLWVGUGO-OLZOCXBDSA-N 1 1 253.349 3.387 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(O)c(F)c1 ZINC001180332889 809994822 /nfs/dbraw/zinc/99/48/22/809994822.db2.gz WFQDQAJIYWKWLQ-UHFFFAOYSA-N 1 1 275.323 3.355 20 30 CGEDMO C[C@@H](C#N)c1ccc(NC(=O)C[N@@H+](C)C2CCCC2)cc1 ZINC001180629210 810015270 /nfs/dbraw/zinc/01/52/70/810015270.db2.gz PUFMPTWVVSSLJJ-ZDUSSCGKSA-N 1 1 285.391 3.127 20 30 CGEDMO C#CCCCCCC[N@H+](CCN(C)C)C1CCCC1 ZINC001180984919 810030919 /nfs/dbraw/zinc/03/09/19/810030919.db2.gz FCLRSDUYJDLNJX-UHFFFAOYSA-N 1 1 264.457 3.376 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)C(C)(C)F)[C@@H]2C1 ZINC001186644735 810354682 /nfs/dbraw/zinc/35/46/82/810354682.db2.gz MWUQXMAPLDKJBC-LSDHHAIUSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC001188592926 810491405 /nfs/dbraw/zinc/49/14/05/810491405.db2.gz PAILDBGVUIZSMJ-HOCLYGCPSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(Cl)o2)C1 ZINC001188861478 810519558 /nfs/dbraw/zinc/51/95/58/810519558.db2.gz DELRUCZKGDMAND-GFCCVEGCSA-N 1 1 296.798 3.046 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)/C(C)=C/CC)C1 ZINC001189179624 810547863 /nfs/dbraw/zinc/54/78/63/810547863.db2.gz RQEOCQPJFMMFMU-GQXMGIGRSA-N 1 1 278.440 3.230 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]([N@@H+](C)CCC2CCCCC2)C1 ZINC001189281057 810553710 /nfs/dbraw/zinc/55/37/10/810553710.db2.gz XBGDVFHGTYGKKZ-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]([N@@H+](C)CC2CCCCCC2)C1 ZINC001189281083 810553833 /nfs/dbraw/zinc/55/38/33/810553833.db2.gz XTMRITHYAAAVQY-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)C(C)C)C1 ZINC001189328896 810560433 /nfs/dbraw/zinc/56/04/33/810560433.db2.gz WIDRIHVLJYNMGE-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)CC2=CCCCC2)C1 ZINC001189353917 810562635 /nfs/dbraw/zinc/56/26/35/810562635.db2.gz KZCFUMLPDSULNE-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)CC[C@H](C)CC)[C@@H]2C1 ZINC001189514901 810575635 /nfs/dbraw/zinc/57/56/35/810575635.db2.gz SGXJLZSAGNYPRC-VHDGCEQUSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@H](C)CC)[C@@H]2C1 ZINC001189514901 810575637 /nfs/dbraw/zinc/57/56/37/810575637.db2.gz SGXJLZSAGNYPRC-VHDGCEQUSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C=C(CC)CC)C1 ZINC001189663468 810584855 /nfs/dbraw/zinc/58/48/55/810584855.db2.gz DYSVKDCIMJOIKG-MRXNPFEDSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC2(C)C)C1 ZINC001189674613 810585735 /nfs/dbraw/zinc/58/57/35/810585735.db2.gz QEGKINOLGVWYPU-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CCCCCC(=O)N1CC[C@H]([N@H+](C)CC/C=C\CC)C1 ZINC001189744547 810587414 /nfs/dbraw/zinc/58/74/14/810587414.db2.gz VHGSFEWBMYBXCB-KMDWOBIYSA-N 1 1 290.451 3.069 20 30 CGEDMO C#CCCCCC(=O)N1CC[C@@H]([N@H+](C)CCCC(C)C)C1 ZINC001189743568 810587511 /nfs/dbraw/zinc/58/75/11/810587511.db2.gz GWALIGQFYSJUNP-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)CC(C)C)[C@@H]2C1 ZINC001189762877 810588152 /nfs/dbraw/zinc/58/81/52/810588152.db2.gz HASMBVJNRJHQOV-IXDOHACOSA-N 1 1 292.467 3.168 20 30 CGEDMO CCC(CC)C[N@@H+](C)[C@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190083948 810607521 /nfs/dbraw/zinc/60/75/21/810607521.db2.gz HXFFWXXWRRNYOP-INIZCTEOSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)Cc1ccc(C(=O)NCC[C@H]2CCC[N@@H+]2C)cc1 ZINC001190232998 810613864 /nfs/dbraw/zinc/61/38/64/810613864.db2.gz LTWCYDYZPUJYHZ-QGZVFWFLSA-N 1 1 286.419 3.019 20 30 CGEDMO CC#CC[N@@H+](C)[C@H]1CCN(C(=O)CCCCC(C)(C)C)C1 ZINC001190337609 810621634 /nfs/dbraw/zinc/62/16/34/810621634.db2.gz UHMIVVNIUWTECV-INIZCTEOSA-N 1 1 292.467 3.149 20 30 CGEDMO CC#CC[N@H+](C)[C@@H]1CCN(C(=O)CCC[C@H](C)CCC)C1 ZINC001190370922 810623255 /nfs/dbraw/zinc/62/32/55/810623255.db2.gz OSOAZUVJCGKNSP-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@H]([N@@H+](C)CC2CCCC2)C1 ZINC001190391200 810625686 /nfs/dbraw/zinc/62/56/86/810625686.db2.gz XRKKQABJFYRWMW-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]([N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001190435116 810628255 /nfs/dbraw/zinc/62/82/55/810628255.db2.gz CMEOLFPZOLUUAT-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccnc(F)c1 ZINC001190458084 810628601 /nfs/dbraw/zinc/62/86/01/810628601.db2.gz UYRLEFWVXNLKBI-UHFFFAOYSA-N 1 1 286.350 3.418 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccnc(F)c1 ZINC001190458084 810628604 /nfs/dbraw/zinc/62/86/04/810628604.db2.gz UYRLEFWVXNLKBI-UHFFFAOYSA-N 1 1 286.350 3.418 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccsc2)C1 ZINC001190436200 810628992 /nfs/dbraw/zinc/62/89/92/810628992.db2.gz SETQFZXBKNTCOU-HNNXBMFYSA-N 1 1 292.448 3.137 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@](C)(F)CCCC)C1 ZINC001191040937 810665473 /nfs/dbraw/zinc/66/54/73/810665473.db2.gz NFKAYIYPLOBZFX-RDJZCZTQSA-N 1 1 298.446 3.404 20 30 CGEDMO CCCCCCCCNC(=O)N[C@H]1CCC[N@@H+](C)CC1 ZINC001191074306 810670665 /nfs/dbraw/zinc/67/06/65/810670665.db2.gz RHFYEPVSCNKUKP-HNNXBMFYSA-N 1 1 283.460 3.130 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)C(=C)C)C1 ZINC001191684966 810730369 /nfs/dbraw/zinc/73/03/69/810730369.db2.gz WLQKMVXUGDDMCW-JKSUJKDBSA-N 1 1 292.467 3.476 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](F)C(C)C)C1 ZINC001191819563 810746261 /nfs/dbraw/zinc/74/62/61/810746261.db2.gz QCUXGVBRQVRGST-HZPDHXFCSA-N 1 1 298.446 3.260 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(C)co2)C1 ZINC001191838320 810750093 /nfs/dbraw/zinc/75/00/93/810750093.db2.gz JARJSYXAWDOWHL-HUUCEWRRSA-N 1 1 290.407 3.089 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)C2CC2)C1 ZINC001191868355 810754539 /nfs/dbraw/zinc/75/45/39/810754539.db2.gz SABKMMQEKPRLPP-ZBFHGGJFSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CC[C@H]([N@H+](C)CCC(C)C)C1 ZINC001191910975 810755480 /nfs/dbraw/zinc/75/54/80/810755480.db2.gz BMCZLNBORMXSPC-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([N@H+](C)CCCCC)C1 ZINC001191911449 810755882 /nfs/dbraw/zinc/75/58/82/810755882.db2.gz GCQUNMGOUOKKEJ-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCCC(=O)N1CC[C@@H]([N@@H+](C)CC2CCCC2)C1 ZINC001192058912 810768260 /nfs/dbraw/zinc/76/82/60/810768260.db2.gz CBBOYLQIHDBVAN-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@H]([N@@H+](C)CCC(=C)C)C1 ZINC001192162346 810772505 /nfs/dbraw/zinc/77/25/05/810772505.db2.gz OKBQALPZZTUGIN-RDJZCZTQSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C1CCC(C(=O)N2CC[C@H]([N@H+](C)C[C@H](F)CC)C2)CC1 ZINC001192180442 810772566 /nfs/dbraw/zinc/77/25/66/810772566.db2.gz IOFVHMTZSNYYFM-CVEARBPZSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@@H]([N@@H+](C)CCCCCF)C1 ZINC001192163720 810772914 /nfs/dbraw/zinc/77/29/14/810772914.db2.gz ZTEHZXIZWLLKKD-WBVHZDCISA-N 1 1 298.446 3.261 20 30 CGEDMO C=C1CCC(C(=O)N2CC[C@@H]([N@H+](C)C[C@H](C)CC)C2)CC1 ZINC001192180862 810773616 /nfs/dbraw/zinc/77/36/16/810773616.db2.gz NTRCUYWAGFUSJI-RHSMWYFYSA-N 1 1 292.467 3.312 20 30 CGEDMO CCCCCCCC[N@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC001192213808 810775964 /nfs/dbraw/zinc/77/59/64/810775964.db2.gz LNYOPGKZAPFYAC-LSDHHAIUSA-N 1 1 266.429 3.090 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C2(CCC=C)CC2)C1 ZINC001192217771 810777697 /nfs/dbraw/zinc/77/76/97/810777697.db2.gz JTEVEQYHMCDZKZ-INIZCTEOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C2(C)CC(=C)C2)C1 ZINC001192258428 810781232 /nfs/dbraw/zinc/78/12/32/810781232.db2.gz WQDSYYZFYAFWCL-HZPDHXFCSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C2(CF)CCC2)C1 ZINC001192416576 810795609 /nfs/dbraw/zinc/79/56/09/810795609.db2.gz MVPDYOCVRQEHFF-HUUCEWRRSA-N 1 1 296.430 3.014 20 30 CGEDMO C[C@H](COCc1ccccc1)C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC001192461891 810799457 /nfs/dbraw/zinc/79/94/57/810799457.db2.gz ZZKKEFFALAWGEJ-WMZOPIPTSA-N 1 1 286.419 3.465 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC23CC3)C1 ZINC001192532753 810805869 /nfs/dbraw/zinc/80/58/69/810805869.db2.gz LCSYPMUHRYAOKB-JKSUJKDBSA-N 1 1 292.467 3.290 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@@H]([N@H+](C)CCCCC)C1 ZINC001192579007 810807928 /nfs/dbraw/zinc/80/79/28/810807928.db2.gz WBXNVFINSVIDDS-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CCCCCCC[N@@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC001192955850 810834574 /nfs/dbraw/zinc/83/45/74/810834574.db2.gz KWFUKUIYZQGRNQ-HZPDHXFCSA-N 1 1 265.441 3.299 20 30 CGEDMO CCCCCCC[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC001192953962 810835477 /nfs/dbraw/zinc/83/54/77/810835477.db2.gz WZKYUIGQTDOQHW-HRCADAONSA-N 1 1 297.487 3.375 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](CC)CCC)C1 ZINC001193122911 810860103 /nfs/dbraw/zinc/86/01/03/810860103.db2.gz NPWBQWOGVVMNKG-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](CC)CC(C)C)C1 ZINC001193349916 810875795 /nfs/dbraw/zinc/87/57/95/810875795.db2.gz MDNHAAWEAATGPT-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO CC#CC[N@H+](C)[C@H]1CCN(C(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001193417134 810885751 /nfs/dbraw/zinc/88/57/51/810885751.db2.gz MPLAYSDSRSASGN-HOTGVXAUSA-N 1 1 292.467 3.005 20 30 CGEDMO CC[C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC001193459470 810890596 /nfs/dbraw/zinc/89/05/96/810890596.db2.gz DAKJTTCCUZORTA-OAGGEKHMSA-N 1 1 278.440 3.332 20 30 CGEDMO C=CCC[N@@H+](C)CCOc1ccc(F)c(Cl)c1 ZINC001193474274 810892060 /nfs/dbraw/zinc/89/20/60/810892060.db2.gz VTFIKMZECAIRMD-UHFFFAOYSA-N 1 1 257.736 3.366 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC001193659587 810930711 /nfs/dbraw/zinc/93/07/11/810930711.db2.gz CBPGTUZTAXGATQ-GJZGRUSLSA-N 1 1 268.445 3.323 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(C)cc2)C1 ZINC001193664324 810931482 /nfs/dbraw/zinc/93/14/82/810931482.db2.gz VBLHPIVUCLYYMN-KRWDZBQOSA-N 1 1 286.419 3.108 20 30 CGEDMO CCCCCCC[N@@H+]1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001193674523 810935007 /nfs/dbraw/zinc/93/50/07/810935007.db2.gz KRIKHABNJGGWLH-HNNXBMFYSA-N 1 1 268.445 3.146 20 30 CGEDMO CCCCCCC[N@H+]1CCN(CC(C)C)C(=O)[C@@H]1C ZINC001193674523 810935015 /nfs/dbraw/zinc/93/50/15/810935015.db2.gz KRIKHABNJGGWLH-HNNXBMFYSA-N 1 1 268.445 3.146 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)CCC2CCCCC2)C1 ZINC001193824520 810962118 /nfs/dbraw/zinc/96/21/18/810962118.db2.gz GDMMMDNRDRQJIG-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCC[C@@H]1C(=O)OC ZINC001193943490 810982196 /nfs/dbraw/zinc/98/21/96/810982196.db2.gz ZZGNPUYNPOPUQI-KFWWJZLASA-N 1 1 265.397 3.006 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)C23CCC(CC2)CC3)C1 ZINC001194164579 811025613 /nfs/dbraw/zinc/02/56/13/811025613.db2.gz PQBLEROHYUQZRN-PQUAAJSLSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)CCF)C2)CCCCC1 ZINC001194190168 811032314 /nfs/dbraw/zinc/03/23/14/811032314.db2.gz AMPXOHNRZRIZSM-OAHLLOKOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@@H]([N@@H+](C)CCF)C2)CCCCC1 ZINC001194190168 811032317 /nfs/dbraw/zinc/03/23/17/811032317.db2.gz AMPXOHNRZRIZSM-OAHLLOKOSA-N 1 1 296.430 3.015 20 30 CGEDMO CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)CC(C)(C)C)C1 ZINC001194191352 811032446 /nfs/dbraw/zinc/03/24/46/811032446.db2.gz KMFGYKILTANFSW-OAHLLOKOSA-N 1 1 292.467 3.005 20 30 CGEDMO C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@](C)(CC)CCCCC)C1 ZINC001194326265 811051972 /nfs/dbraw/zinc/05/19/72/811051972.db2.gz NHXSRINJTWMZJF-AEFFLSMTSA-N 1 1 292.467 3.149 20 30 CGEDMO CCCCCCCCOC(=O)NC[C@H]1CCC[N@H+]1C ZINC001194748319 811122325 /nfs/dbraw/zinc/12/23/25/811122325.db2.gz RJRLYVQEKMCVRA-CQSZACIVSA-N 1 1 270.417 3.167 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)CC(C)(C)C)CC1 ZINC001194863783 811157869 /nfs/dbraw/zinc/15/78/69/811157869.db2.gz PVTSIDIBWZMGHI-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC(=O)N1CCC[N@@H+](CCC2CCCCC2)CC1 ZINC001195192640 811224548 /nfs/dbraw/zinc/22/45/48/811224548.db2.gz ZTVLTTQJJVIHGK-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCC[N@H+](CCC(=C)C)CC1 ZINC001195966588 811305630 /nfs/dbraw/zinc/30/56/30/811305630.db2.gz MZYSSBLMRQQIHR-UHFFFAOYSA-N 1 1 290.451 3.255 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[N@@H+](CCCCCF)CC1 ZINC001196018486 811312282 /nfs/dbraw/zinc/31/22/82/811312282.db2.gz WHCYPLDDFVAWEC-UHFFFAOYSA-N 1 1 284.419 3.017 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)[C@@H](C)C(CC)CC)CC1 ZINC001196375385 811338536 /nfs/dbraw/zinc/33/85/36/811338536.db2.gz LJVYYRRVDWVOEX-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC001196855129 811375200 /nfs/dbraw/zinc/37/52/00/811375200.db2.gz YVVMERZECQLVAK-HZPDHXFCSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H](C)CC(=C)C)CC1 ZINC001196881197 811378599 /nfs/dbraw/zinc/37/85/99/811378599.db2.gz QSJRQZCQCUIBGH-INIZCTEOSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@@H](C)CC(=C)C)CC1 ZINC001196895219 811380586 /nfs/dbraw/zinc/38/05/86/811380586.db2.gz HXSYMYZJRDJLHG-INIZCTEOSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCC1(C(=O)N2CCC[N@H+](CC[C@@H](C)F)CC2)CCC1 ZINC001197077170 811396416 /nfs/dbraw/zinc/39/64/16/811396416.db2.gz PSIZIWXAHZHMER-OAHLLOKOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC1(C(=O)N2CCC[N@H+](CC[C@H](C)F)CC2)CCC1 ZINC001197077169 811396659 /nfs/dbraw/zinc/39/66/59/811396659.db2.gz PSIZIWXAHZHMER-HNNXBMFYSA-N 1 1 296.430 3.015 20 30 CGEDMO C#CCOCC[N@@H+]1CC[C@@H](c2ccc(C)cc2)C1(C)C ZINC001197317792 811414732 /nfs/dbraw/zinc/41/47/32/811414732.db2.gz VUULAEQUVNACKC-KRWDZBQOSA-N 1 1 271.404 3.213 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)C2(CC(C)C)CCCC2)CC1 ZINC001197460360 811423977 /nfs/dbraw/zinc/42/39/77/811423977.db2.gz CQNKTMPUOYZEKC-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO CCC#C[C@H](C)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001197590932 811431824 /nfs/dbraw/zinc/43/18/24/811431824.db2.gz UXRVVNQQEYBVPA-SXLOBPIMSA-N 1 1 296.458 3.242 20 30 CGEDMO CCC#C[C@H](C)[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@@]2(C)C1 ZINC001197590932 811431832 /nfs/dbraw/zinc/43/18/32/811431832.db2.gz UXRVVNQQEYBVPA-SXLOBPIMSA-N 1 1 296.458 3.242 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@@]2(C)C1 ZINC001197590932 811431837 /nfs/dbraw/zinc/43/18/37/811431837.db2.gz UXRVVNQQEYBVPA-SXLOBPIMSA-N 1 1 296.458 3.242 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H](C)[C@H](C)CC)CC1 ZINC001197595859 811432467 /nfs/dbraw/zinc/43/24/67/811432467.db2.gz DRCXJQLIPJGFPA-HZPDHXFCSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC001198061590 811474233 /nfs/dbraw/zinc/47/42/33/811474233.db2.gz PSYCIHMCHHGOBZ-MRXNPFEDSA-N 1 1 251.414 3.481 20 30 CGEDMO C#CCC[N@@H+]1CCCN(C(=O)[C@@H](CC)CCCCC)CC1 ZINC001198204511 811484305 /nfs/dbraw/zinc/48/43/05/811484305.db2.gz ISUBCDADEPERBM-KRWDZBQOSA-N 1 1 292.467 3.151 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1csc([N+](=O)[O-])c1 ZINC001198457631 811505208 /nfs/dbraw/zinc/50/52/08/811505208.db2.gz FPNZOUOVJNYDRY-UHFFFAOYSA-N 1 1 254.355 3.444 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCO[C@@H](c3ccccc3)CC2)C1 ZINC001198708559 811537766 /nfs/dbraw/zinc/53/77/66/811537766.db2.gz ZDYWKVHIJVKKAQ-HYVNUMGLSA-N 1 1 270.376 3.142 20 30 CGEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+](C[C@@H](C)CCC)C2 ZINC001201543960 811894468 /nfs/dbraw/zinc/89/44/68/811894468.db2.gz UKEILBPRGNPTQH-FUHWJXTLSA-N 1 1 292.467 3.456 20 30 CGEDMO CCCC[C@H](CC)C[N@H+]1CCC2SC(=O)C=C2C1 ZINC001201559428 811902761 /nfs/dbraw/zinc/90/27/61/811902761.db2.gz JSDQJGGJMSCYLV-GXTWGEPZSA-N 1 1 267.438 3.477 20 30 CGEDMO COc1ccc(C#N)cc1Nc1ccc2[nH+]c(C)cn2c1 ZINC001201582130 811913161 /nfs/dbraw/zinc/91/31/61/811913161.db2.gz NSEAMFRBEBOMSM-UHFFFAOYSA-N 1 1 278.315 3.267 20 30 CGEDMO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](CCC(C)C)C2 ZINC001201618367 811920979 /nfs/dbraw/zinc/92/09/79/811920979.db2.gz UZHJEKKJGRGXLH-IRXDYDNUSA-N 1 1 281.440 3.106 20 30 CGEDMO CC(C)CC[N@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001201624488 811922750 /nfs/dbraw/zinc/92/27/50/811922750.db2.gz SRNWXTJYZIXQKI-QGZVFWFLSA-N 1 1 272.392 3.448 20 30 CGEDMO CCCCCCCCCCC[N@H+]1CCNC(=O)CC1 ZINC001201631269 811926128 /nfs/dbraw/zinc/92/61/28/811926128.db2.gz NOUITYJOQPHAMR-UHFFFAOYSA-N 1 1 268.445 3.339 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@@H]1CCC2(C1)OCCO2 ZINC001201798124 811966584 /nfs/dbraw/zinc/96/65/84/811966584.db2.gz PFDKFOOQAXQCNZ-CQSZACIVSA-N 1 1 255.402 3.184 20 30 CGEDMO CCCCCCCC[N@@H+]1CCOC[C@H]1CCC(=O)OC ZINC001201840145 811969432 /nfs/dbraw/zinc/96/94/32/811969432.db2.gz NJOXKNYKKHXZEA-OAHLLOKOSA-N 1 1 285.428 3.001 20 30 CGEDMO CCCCCCCC[N@H+]1CCOC[C@H]1CCC(=O)OC ZINC001201840145 811969436 /nfs/dbraw/zinc/96/94/36/811969436.db2.gz NJOXKNYKKHXZEA-OAHLLOKOSA-N 1 1 285.428 3.001 20 30 CGEDMO CCCCCCCCC[N@H+]1CCCO[C@@H](C(=O)OC)C1 ZINC001201852838 811972316 /nfs/dbraw/zinc/97/23/16/811972316.db2.gz OFYRRMGAZWGPIX-OAHLLOKOSA-N 1 1 285.428 3.001 20 30 CGEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](CCC(C)(C)C)C2 ZINC001202077845 812011219 /nfs/dbraw/zinc/01/12/19/812011219.db2.gz MJRWVPUFLDQNGC-DOTOQJQBSA-N 1 1 281.440 3.249 20 30 CGEDMO N#Cc1cccc(C[N@@H+](C2CCC2)C2CCOCC2)c1 ZINC001203764610 812458086 /nfs/dbraw/zinc/45/80/86/812458086.db2.gz IYKDGOYPQKFILE-UHFFFAOYSA-N 1 1 270.376 3.092 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@H]2COCc2ccccc2)c1 ZINC001203763055 812458141 /nfs/dbraw/zinc/45/81/41/812458141.db2.gz ZFTNRAKFHIHIKN-IBGZPJMESA-N 1 1 292.382 3.349 20 30 CGEDMO COc1ccc(C[N@@H+]2CCc3ccc(C#N)cc3C2)cc1 ZINC001203954798 812500347 /nfs/dbraw/zinc/50/03/47/812500347.db2.gz XFEWNOSAGMZPHJ-UHFFFAOYSA-N 1 1 278.355 3.125 20 30 CGEDMO COc1ccc(C[N@H+]2CCc3ccc(C#N)cc3C2)cc1 ZINC001203954798 812500351 /nfs/dbraw/zinc/50/03/51/812500351.db2.gz XFEWNOSAGMZPHJ-UHFFFAOYSA-N 1 1 278.355 3.125 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@](C)(CO)CC2)cc1 ZINC001204297279 812603215 /nfs/dbraw/zinc/60/32/15/812603215.db2.gz JZILAYANAIYKEV-GOSISDBHSA-N 1 1 289.419 3.236 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(F)cc(F)c1O ZINC001205078002 812850074 /nfs/dbraw/zinc/85/00/74/812850074.db2.gz XCMMLVYSTJGZJX-UHFFFAOYSA-N 1 1 288.297 3.174 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(F)cc(F)c1O ZINC001205078002 812850083 /nfs/dbraw/zinc/85/00/83/812850083.db2.gz XCMMLVYSTJGZJX-UHFFFAOYSA-N 1 1 288.297 3.174 20 30 CGEDMO C[C@@]1(F)CCCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001205459403 812986900 /nfs/dbraw/zinc/98/69/00/812986900.db2.gz QIGUDSAPYKPANW-OAHLLOKOSA-N 1 1 264.319 3.411 20 30 CGEDMO C[C@@]1(F)CCCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC001205459403 812986906 /nfs/dbraw/zinc/98/69/06/812986906.db2.gz QIGUDSAPYKPANW-OAHLLOKOSA-N 1 1 264.319 3.411 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1c(C)ccc(Br)c1F ZINC001205568502 813006096 /nfs/dbraw/zinc/00/60/96/813006096.db2.gz JSMLETMVHBXYCN-SNVBAGLBSA-N 1 1 284.172 3.350 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1c(C)ccc(Br)c1F ZINC001205568502 813006103 /nfs/dbraw/zinc/00/61/03/813006103.db2.gz JSMLETMVHBXYCN-SNVBAGLBSA-N 1 1 284.172 3.350 20 30 CGEDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](OCc1cccc(C#N)c1)C2 ZINC001205595814 813016743 /nfs/dbraw/zinc/01/67/43/813016743.db2.gz PWDSIKJDNYFRMM-PIIMJCKOSA-N 1 1 284.403 3.479 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OCCCC#N ZINC001205648912 813040919 /nfs/dbraw/zinc/04/09/19/813040919.db2.gz QAGCXOZPJSESOH-RDJZCZTQSA-N 1 1 272.392 3.217 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@H](N)[C@@H](F)CC2)CC1 ZINC001206153949 813217164 /nfs/dbraw/zinc/21/71/64/813217164.db2.gz FNGKDBVONFWEIE-PMPSAXMXSA-N 1 1 266.404 3.050 20 30 CGEDMO C[C@]1(C[NH3+])CCCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC001206318819 813287346 /nfs/dbraw/zinc/28/73/46/813287346.db2.gz UOPHRPCEXFDYGZ-INIZCTEOSA-N 1 1 291.826 3.163 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1Nc1ccc(C#N)s1 ZINC001206729535 813410436 /nfs/dbraw/zinc/41/04/36/813410436.db2.gz KXJVLNWHLRESEU-UHFFFAOYSA-N 1 1 258.350 3.133 20 30 CGEDMO Cn1cc(C[N@@H+]2CCSc3ccccc3C2)cc1C#N ZINC001207110215 813486833 /nfs/dbraw/zinc/48/68/33/813486833.db2.gz HHNKDMGRACINBN-UHFFFAOYSA-N 1 1 283.400 3.005 20 30 CGEDMO Cn1cc(C[N@H+]2CCSc3ccccc3C2)cc1C#N ZINC001207110215 813486838 /nfs/dbraw/zinc/48/68/38/813486838.db2.gz HHNKDMGRACINBN-UHFFFAOYSA-N 1 1 283.400 3.005 20 30 CGEDMO COc1ccc(F)c(C[N@@H+](C)CCc2cccc(C#N)c2)c1 ZINC001207219137 813516986 /nfs/dbraw/zinc/51/69/86/813516986.db2.gz XBJUSOAPLMVEAP-UHFFFAOYSA-N 1 1 298.361 3.380 20 30 CGEDMO C=CCC[C@@H](CC)[NH2+][C@@H](CC(=C)C)C(=O)OCC ZINC001207334662 813542546 /nfs/dbraw/zinc/54/25/46/813542546.db2.gz SRFPQVSNRMMSEE-KGLIPLIRSA-N 1 1 253.386 3.219 20 30 CGEDMO C=CCC[C@H](CC)[NH2+][C@@H](CC(=C)C)C(=O)OCC ZINC001207334661 813542641 /nfs/dbraw/zinc/54/26/41/813542641.db2.gz SRFPQVSNRMMSEE-KBPBESRZSA-N 1 1 253.386 3.219 20 30 CGEDMO C#CC[N@H+](C)C[C@@H]1CC=C(CCCC(C)(C)O)CC1 ZINC001207406294 813558411 /nfs/dbraw/zinc/55/84/11/813558411.db2.gz GMPVXNAMHMGFDZ-MRXNPFEDSA-N 1 1 263.425 3.219 20 30 CGEDMO N#C[C@H]1CCC[N@H+](CCc2c(F)cccc2F)CC1 ZINC001208116477 813696284 /nfs/dbraw/zinc/69/62/84/813696284.db2.gz CNEAWYACWTXHRC-LBPRGKRZSA-N 1 1 264.319 3.133 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCCN(CC)CC2)CC1 ZINC001208166450 813720870 /nfs/dbraw/zinc/72/08/70/813720870.db2.gz AOICFHYGNGPBQX-QGZVFWFLSA-N 1 1 262.441 3.317 20 30 CGEDMO C=C(C)[C@@H]1CC=C(CN2CCC[N@@H+](CC)CC2)CC1 ZINC001208166450 813720874 /nfs/dbraw/zinc/72/08/74/813720874.db2.gz AOICFHYGNGPBQX-QGZVFWFLSA-N 1 1 262.441 3.317 20 30 CGEDMO C=C(C)[C@@H]1CC=C(CN2CCC[N@H+](CC)CC2)CC1 ZINC001208166450 813720877 /nfs/dbraw/zinc/72/08/77/813720877.db2.gz AOICFHYGNGPBQX-QGZVFWFLSA-N 1 1 262.441 3.317 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@](O)(CF)[C@@H](F)C2)CC1 ZINC001208169802 813723773 /nfs/dbraw/zinc/72/37/73/813723773.db2.gz ABIMAPBEYNAQJH-PMPSAXMXSA-N 1 1 285.378 3.033 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@](O)(CF)[C@@H](F)C2)CC1 ZINC001208169802 813723776 /nfs/dbraw/zinc/72/37/76/813723776.db2.gz ABIMAPBEYNAQJH-PMPSAXMXSA-N 1 1 285.378 3.033 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[NH+]2CCN(CC(F)F)CC2)CC1 ZINC001208176334 813727360 /nfs/dbraw/zinc/72/73/60/813727360.db2.gz BYOAPYFCBANEBF-OAHLLOKOSA-N 1 1 284.394 3.172 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@H](CCO)C2)CC1 ZINC001208178571 813729184 /nfs/dbraw/zinc/72/91/84/813729184.db2.gz RTVPDWBMTPRLPG-NVXWUHKLSA-N 1 1 263.425 3.383 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@](C)(C(=O)OC)C2)CC1 ZINC001208179186 813730641 /nfs/dbraw/zinc/73/06/41/813730641.db2.gz QHDQPSFWKIUWIH-WBVHZDCISA-N 1 1 277.408 3.174 20 30 CGEDMO C=C(C)[C@@H]1CC=C(CN2CCC[C@H]3C[N@H+](C)C[C@@H]32)CC1 ZINC001208178966 813730960 /nfs/dbraw/zinc/73/09/60/813730960.db2.gz YXQDJQFXCWQPRT-SQNIBIBYSA-N 1 1 274.452 3.315 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(CC)CCC2)C1 ZINC001208379429 813757822 /nfs/dbraw/zinc/75/78/22/813757822.db2.gz BVXJFTBSPMCFPT-OWCLPIDISA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)CC(C)C)C[C@H]1C ZINC001208455107 813762586 /nfs/dbraw/zinc/76/25/86/813762586.db2.gz BQZGNOVVBWSLTM-GVDBMIGSSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)CC)C[C@H]2C)CC1 ZINC001208499981 813763119 /nfs/dbraw/zinc/76/31/19/813763119.db2.gz FGKWMHLEMJIIEL-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C ZINC001208511697 813764795 /nfs/dbraw/zinc/76/47/95/813764795.db2.gz GHEQZTHQKLADTJ-RKVPGOIHSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(CCC)CC2)C1 ZINC001208538283 813765204 /nfs/dbraw/zinc/76/52/04/813765204.db2.gz HTOPKSFAWKGQPK-OWCLPIDISA-N 1 1 292.467 3.358 20 30 CGEDMO CCN(CCC#N)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001208588412 813769068 /nfs/dbraw/zinc/76/90/68/813769068.db2.gz HUOGGTYUCAKLJE-GOSISDBHSA-N 1 1 285.435 3.277 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](C[C@H]2CCCCN2Cc2ccccc2)C1 ZINC001208591934 813770047 /nfs/dbraw/zinc/77/00/47/813770047.db2.gz PTQKFWGJEOPRLA-UYAOXDASSA-N 1 1 296.458 3.386 20 30 CGEDMO C#C[C@@H]1CCCN(C[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC001208591934 813770053 /nfs/dbraw/zinc/77/00/53/813770053.db2.gz PTQKFWGJEOPRLA-UYAOXDASSA-N 1 1 296.458 3.386 20 30 CGEDMO C#C[C@@H]1CCCN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001208591934 813770056 /nfs/dbraw/zinc/77/00/56/813770056.db2.gz PTQKFWGJEOPRLA-UYAOXDASSA-N 1 1 296.458 3.386 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCc1ccc(OC)c(OC)c1 ZINC001208760539 813834751 /nfs/dbraw/zinc/83/47/51/813834751.db2.gz HIPSPTYJQJUNDT-UHFFFAOYSA-N 1 1 263.381 3.144 20 30 CGEDMO C=CC[N@H+](C[C@H](CC)CCC(=O)OC)C(C)(C)C ZINC001208793727 813848941 /nfs/dbraw/zinc/84/89/41/813848941.db2.gz XAGUSUOQBYHVRH-CYBMUJFWSA-N 1 1 255.402 3.252 20 30 CGEDMO C[N@@H+]1CC=C(Nc2c(C#N)ccc3ccccc32)CC1 ZINC001208837489 813858390 /nfs/dbraw/zinc/85/83/90/813858390.db2.gz JVHUMGLFLVDXGL-UHFFFAOYSA-N 1 1 263.344 3.343 20 30 CGEDMO C[N@@H+]1CC=C(Nc2ccc(C#N)cc2OC(F)(F)F)CC1 ZINC001208837425 813858926 /nfs/dbraw/zinc/85/89/26/813858926.db2.gz IJZURKKWUADIKK-UHFFFAOYSA-N 1 1 297.280 3.088 20 30 CGEDMO C[C@H]1C[N@@H+](CCCc2cccc(C#N)c2)CCC1(F)F ZINC001208845801 813864626 /nfs/dbraw/zinc/86/46/26/813864626.db2.gz SROCQDKJSNJKEQ-ZDUSSCGKSA-N 1 1 278.346 3.468 20 30 CGEDMO C[C@@H](C[N@H+]1CC[C@](CF)(C(F)(F)F)C1)C(F)(F)F ZINC001208896556 813886254 /nfs/dbraw/zinc/88/62/54/813886254.db2.gz WVCYQSGAEAKDQR-JGVFFNPUSA-N 1 1 281.215 3.409 20 30 CGEDMO N#Cc1ccc(CC[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)cc1 ZINC001208925921 813900977 /nfs/dbraw/zinc/90/09/77/813900977.db2.gz YMCAIEAAHITTLW-GASCZTMLSA-N 1 1 276.330 3.078 20 30 CGEDMO C=CCN(CC[N@@H+](C)[C@H]1CC[C@H](C)CC1)C(=O)OCC ZINC001209024895 813917945 /nfs/dbraw/zinc/91/79/45/813917945.db2.gz XQOLNSALWSEKKX-SHTZXODSSA-N 1 1 282.428 3.141 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]2[C@@H]1CN2C(=O)OC(C)(C)C ZINC001209158401 813951300 /nfs/dbraw/zinc/95/13/00/813951300.db2.gz NGWUVEMNTFAKHX-KBPBESRZSA-N 1 1 280.412 3.036 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@]2(CC(=O)N(c3ccsc3)C2)C1 ZINC001209161447 813951526 /nfs/dbraw/zinc/95/15/26/813951526.db2.gz KTRFTMIIQAMOCH-MRXNPFEDSA-N 1 1 290.432 3.143 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC001209163431 813953652 /nfs/dbraw/zinc/95/36/52/813953652.db2.gz DWAVDQZAWFGZIN-UONOGXRCSA-N 1 1 282.428 3.330 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](Oc2cc(C)ccn2)C1 ZINC001209164421 813955085 /nfs/dbraw/zinc/95/50/85/813955085.db2.gz YMDGNQAWNTXZMU-HNNXBMFYSA-N 1 1 260.381 3.199 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CC(C)(C)C)C1 ZINC001209188365 813959067 /nfs/dbraw/zinc/95/90/67/813959067.db2.gz TWNMRJCSUKFGRE-ARFHVFGLSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)CC1COC(C)(C)OC1 ZINC001209198628 813963295 /nfs/dbraw/zinc/96/32/95/813963295.db2.gz HKEOXYTYMBXZLP-UHFFFAOYSA-N 1 1 275.392 3.074 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001209200543 813965031 /nfs/dbraw/zinc/96/50/31/813965031.db2.gz JLBRHBGRRWKZGF-AWEZNQCLSA-N 1 1 282.428 3.332 20 30 CGEDMO C=CCCCC[N@@H+](CC(=O)OC)Cc1ccccc1 ZINC001209205283 813966634 /nfs/dbraw/zinc/96/66/34/813966634.db2.gz UHKKRJDFYJUHAG-UHFFFAOYSA-N 1 1 261.365 3.018 20 30 CGEDMO C=CCCCC[N@H+](CC(=O)OC)Cc1ccccc1 ZINC001209205283 813966639 /nfs/dbraw/zinc/96/66/39/813966639.db2.gz UHKKRJDFYJUHAG-UHFFFAOYSA-N 1 1 261.365 3.018 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001209205314 813967131 /nfs/dbraw/zinc/96/71/31/813967131.db2.gz VHSLCLXBGCHUHU-CQSZACIVSA-N 1 1 282.428 3.284 20 30 CGEDMO C=CCCCC[N@H+](C)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001209207513 813968707 /nfs/dbraw/zinc/96/87/07/813968707.db2.gz AFTPCFLVVANDRE-FICVDOATSA-N 1 1 294.439 3.140 20 30 CGEDMO CCC[N@H+](CCC#N)CCc1ccc(F)c(F)c1 ZINC001209244693 813980654 /nfs/dbraw/zinc/98/06/54/813980654.db2.gz SEEVIKNTNXSPMI-UHFFFAOYSA-N 1 1 252.308 3.133 20 30 CGEDMO CCC[N@@H+](CCC#N)CCc1ccc(F)c(F)c1 ZINC001209244693 813980658 /nfs/dbraw/zinc/98/06/58/813980658.db2.gz SEEVIKNTNXSPMI-UHFFFAOYSA-N 1 1 252.308 3.133 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)C2CCCCC2)C1 ZINC001209380843 814006426 /nfs/dbraw/zinc/00/64/26/814006426.db2.gz OIWVRTLLPDPVPI-BFYDXBDKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCCCC[N@H+]1CCN2C(=O)c3ccccc3[C@@H]2C1 ZINC001209422672 814024092 /nfs/dbraw/zinc/02/40/92/814024092.db2.gz FZUGSAHHJHVISJ-KRWDZBQOSA-N 1 1 284.403 3.246 20 30 CGEDMO C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001209429212 814030177 /nfs/dbraw/zinc/03/01/77/814030177.db2.gz VSSXLDBTASFMIO-UNEWFSDZSA-N 1 1 270.376 3.057 20 30 CGEDMO C=CCCCCCC[N@@H+]1CCN(C2CCCC2)C(=O)C1 ZINC001209435342 814035655 /nfs/dbraw/zinc/03/56/55/814035655.db2.gz BCJQQENRMCAPMQ-UHFFFAOYSA-N 1 1 278.440 3.210 20 30 CGEDMO C=CCCCCCC[N@H+]1CCN(C2CCCC2)C(=O)C1 ZINC001209435342 814035660 /nfs/dbraw/zinc/03/56/60/814035660.db2.gz BCJQQENRMCAPMQ-UHFFFAOYSA-N 1 1 278.440 3.210 20 30 CGEDMO C=CCCCCCC[N@H+]1C[C@@H](C(=O)OC)CC[C@H]1C ZINC001209436921 814037401 /nfs/dbraw/zinc/03/74/01/814037401.db2.gz ZZVOSOQURWKFHF-CABCVRRESA-N 1 1 267.413 3.396 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CC[C@H](O)[C@@H](F)CC1 ZINC001209438693 814038113 /nfs/dbraw/zinc/03/81/13/814038113.db2.gz SSZIURLNDGYPSV-GJZGRUSLSA-N 1 1 257.393 3.308 20 30 CGEDMO C=CCCCCCCC[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC001209438968 814038913 /nfs/dbraw/zinc/03/89/13/814038913.db2.gz ZPBDNDSASSZXFK-AWEZNQCLSA-N 1 1 275.383 3.463 20 30 CGEDMO C=CCCCCCCCC[N@H+]1CC[C@@]2(CCNC2=O)C1 ZINC001209442400 814043377 /nfs/dbraw/zinc/04/33/77/814043377.db2.gz HNYQIOVXHUQSQK-KRWDZBQOSA-N 1 1 278.440 3.115 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2ccc3cc[nH]c3c2)CC1 ZINC001209515349 814068681 /nfs/dbraw/zinc/06/86/81/814068681.db2.gz SPJVUBMJBDGVQZ-ZDUSSCGKSA-N 1 1 253.349 3.294 20 30 CGEDMO N#Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3cncs3)C2)cc1 ZINC001209552474 814081954 /nfs/dbraw/zinc/08/19/54/814081954.db2.gz JVWOJIBDCFMUEG-OAHLLOKOSA-N 1 1 299.399 3.058 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccc(N2CCCC2)nc1 ZINC001209626845 814100699 /nfs/dbraw/zinc/10/06/99/814100699.db2.gz WOCPBPUSZZVXCC-UHFFFAOYSA-N 1 1 273.424 3.470 20 30 CGEDMO N#Cc1cc(F)cc(Nc2ccc3[nH]c[nH+]c3c2)c1 ZINC001209847854 814166712 /nfs/dbraw/zinc/16/67/12/814166712.db2.gz GARAUQUKCOEEIZ-UHFFFAOYSA-N 1 1 252.252 3.317 20 30 CGEDMO N#Cc1cc(F)ccc1Nc1ccc2[nH]c[nH+]c2c1 ZINC001209848624 814167973 /nfs/dbraw/zinc/16/79/73/814167973.db2.gz NPYAZVPSEOPDJF-UHFFFAOYSA-N 1 1 252.252 3.317 20 30 CGEDMO C[N@@H+](Cc1ccc(-c2ccccc2C#N)nc1)C1CC1 ZINC001242716028 823110557 /nfs/dbraw/zinc/11/05/57/823110557.db2.gz PIWBWSHNJVNXOB-UHFFFAOYSA-N 1 1 263.344 3.214 20 30 CGEDMO CC1(C)CC(=O)C=C(Nc2ccc3[nH+]ccn3c2)C1 ZINC001210149222 814311176 /nfs/dbraw/zinc/31/11/76/814311176.db2.gz BKDCZAWYLDTRAN-UHFFFAOYSA-N 1 1 255.321 3.019 20 30 CGEDMO C#Cc1ccc(NC(=O)NCC[N@@H+]2CCCC[C@@H]2CC)cc1 ZINC001210354452 814418527 /nfs/dbraw/zinc/41/85/27/814418527.db2.gz BNCOQUMCIOWORX-KRWDZBQOSA-N 1 1 299.418 3.054 20 30 CGEDMO Cc1cc(C#N)ccc1Nc1cccc2[nH+]cn(C)c21 ZINC001210376877 814432534 /nfs/dbraw/zinc/43/25/34/814432534.db2.gz NNGKGFQJUKEEJN-UHFFFAOYSA-N 1 1 262.316 3.497 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(CC)CCCCC2)C1 ZINC001211248277 814859460 /nfs/dbraw/zinc/85/94/60/814859460.db2.gz SQRVJVMMGZUUDU-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C[N@H+]1CCc2ncc(Nc3cccc(Cl)c3C#N)cc2C1 ZINC001216125205 815707821 /nfs/dbraw/zinc/70/78/21/815707821.db2.gz RBPDYMAAEKZTHH-UHFFFAOYSA-N 1 1 298.777 3.338 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nnc([C@H]2C[C@H]2c2ccccc2)o1 ZINC001217757161 815954880 /nfs/dbraw/zinc/95/48/80/815954880.db2.gz DXHFTSHGKHPDNL-KKUMJFAQSA-N 1 1 281.359 3.144 20 30 CGEDMO C=C(C)[C@H]1CC=C(C)[C@@H](Oc2nc(CC)nc3c2C[NH2+]C3)C1 ZINC001218215723 816130496 /nfs/dbraw/zinc/13/04/96/816130496.db2.gz ADNJREFBUMZPDQ-BBRMVZONSA-N 1 1 299.418 3.322 20 30 CGEDMO C=CCCC(=O)N1C[C@H]2CC[N@H+](CC/C=C/CCC)C[C@H]21 ZINC001221429089 816313116 /nfs/dbraw/zinc/31/31/16/816313116.db2.gz HGBGTWZZJDSNII-NXVGNOFTSA-N 1 1 290.451 3.232 20 30 CGEDMO CCCCCCCNC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC001221437568 816315067 /nfs/dbraw/zinc/31/50/67/816315067.db2.gz XOGLNLIESXYRJP-HZPDHXFCSA-N 1 1 297.487 3.376 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CC(C)(C)C=C)[C@@H]2C1 ZINC001221579631 816321131 /nfs/dbraw/zinc/32/11/31/816321131.db2.gz OFLSQDLTOUZASC-HZPDHXFCSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[C@H](C)CCC)[C@@H]2C1 ZINC001221578124 816321213 /nfs/dbraw/zinc/32/12/13/816321213.db2.gz ULEFMBLQABYYRO-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCCCC)[C@@H]2C1 ZINC001221994959 816338717 /nfs/dbraw/zinc/33/87/17/816338717.db2.gz UTCGFPPGBFWWDQ-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CCC)CC(C)C)[C@@H]2C1 ZINC001222062316 816340950 /nfs/dbraw/zinc/34/09/50/816340950.db2.gz QWMTVQRPJAQJJU-BRWVUGGUSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC1(C(=O)N2C[C@H]3CC[N@H+](C(C)C)C[C@H]32)CCCC1 ZINC001222152674 816360886 /nfs/dbraw/zinc/36/08/86/816360886.db2.gz YUROHYDCUINRAN-HZPDHXFCSA-N 1 1 290.451 3.064 20 30 CGEDMO N#Cc1cccc(CN2CCCC[C@]3(CCCC[NH2+]C3)C2)c1 ZINC001222161110 816365699 /nfs/dbraw/zinc/36/56/99/816365699.db2.gz LKBJDWHNPAYBSU-IBGZPJMESA-N 1 1 297.446 3.304 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)CC2CCCC2)CC1 ZINC001222293841 816399901 /nfs/dbraw/zinc/39/99/01/816399901.db2.gz PSLQDSZKPYPASV-UHFFFAOYSA-N 1 1 298.858 3.147 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]2CC[N@H+](C[C@H](C)CC)[C@H]2C1 ZINC001223401578 816623046 /nfs/dbraw/zinc/62/30/46/816623046.db2.gz NLDCVHFEESORCT-ZACQAIPSSA-N 1 1 292.467 3.312 20 30 CGEDMO CC#CCO[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC001224357691 816785813 /nfs/dbraw/zinc/78/58/13/816785813.db2.gz TXNVAVVMKVASNJ-KRWDZBQOSA-N 1 1 271.404 3.327 20 30 CGEDMO C=CCCCO[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001224509452 816816937 /nfs/dbraw/zinc/81/69/37/816816937.db2.gz KWHPGOUOZRNUGW-RDJZCZTQSA-N 1 1 259.393 3.490 20 30 CGEDMO CC[C@H](C#Cc1ccccc1)OC[C@H]1CCCC[N@H+]1C ZINC001224708029 816861834 /nfs/dbraw/zinc/86/18/34/816861834.db2.gz WEXRWCSLFLEPPM-QZTJIDSGSA-N 1 1 271.404 3.318 20 30 CGEDMO C=C[C@H](C)OC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001224829594 816891657 /nfs/dbraw/zinc/89/16/57/816891657.db2.gz LBEJCUDPJJFOHV-DOTOQJQBSA-N 1 1 259.393 3.490 20 30 CGEDMO CC[N@H+]1CCC[C@@H](Oc2ccc(C#N)c(C)c2C)C1 ZINC001225513217 817080043 /nfs/dbraw/zinc/08/00/43/817080043.db2.gz LZIASPLQHIEYCC-OAHLLOKOSA-N 1 1 258.365 3.038 20 30 CGEDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(F)c(C#N)c1)C2 ZINC001225820852 817188652 /nfs/dbraw/zinc/18/86/52/817188652.db2.gz RMRLPYUBWJQRJN-FOLVSLTJSA-N 1 1 288.366 3.480 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](Oc2ccc(C#N)c(Cl)c2)C1 ZINC001227203968 817589827 /nfs/dbraw/zinc/58/98/27/817589827.db2.gz DQFFFZAJYNWHIW-ZDUSSCGKSA-N 1 1 264.756 3.073 20 30 CGEDMO CC[C@H](C)c1ccccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001227759041 817715320 /nfs/dbraw/zinc/71/53/20/817715320.db2.gz FMIOBXDRDATZMU-BKRUBGRBSA-N 1 1 287.403 3.191 20 30 CGEDMO CC[C@H](C)c1ccccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001227759041 817715326 /nfs/dbraw/zinc/71/53/26/817715326.db2.gz FMIOBXDRDATZMU-BKRUBGRBSA-N 1 1 287.403 3.191 20 30 CGEDMO CC(=O)/C=C/c1ccc(O[C@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)cc1 ZINC001228495182 817921159 /nfs/dbraw/zinc/92/11/59/817921159.db2.gz YFEGXSJATOGBTB-CJRIBOPCSA-N 1 1 299.414 3.398 20 30 CGEDMO CC(=O)/C=C\c1ccc(O[C@H]2CCC[N@H+](C)CC2)cc1 ZINC001228497388 817922443 /nfs/dbraw/zinc/92/24/43/817922443.db2.gz UEDCHDUIZLNYEG-KJPDOMRESA-N 1 1 273.376 3.152 20 30 CGEDMO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CCCCCC ZINC001231179950 818054205 /nfs/dbraw/zinc/05/42/05/818054205.db2.gz YALIPDHAZMKSSG-HNNXBMFYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)/C=C/C(C)(C)C ZINC001231285272 818068487 /nfs/dbraw/zinc/06/84/87/818068487.db2.gz ZWNOGXAQTSHYPR-VMNGNHSPSA-N 1 1 292.467 3.476 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)C1CCCCC1 ZINC001231344712 818080425 /nfs/dbraw/zinc/08/04/25/818080425.db2.gz HWPMRHRETNXAMX-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)c1ccccc1 ZINC001231351774 818083446 /nfs/dbraw/zinc/08/34/46/818083446.db2.gz IURPHGSJAIHFJC-OAHLLOKOSA-N 1 1 274.408 3.093 20 30 CGEDMO C[N@@H+](Cc1c[nH]c2cnccc12)Cc1ccc(C#N)cc1 ZINC001231518437 818118567 /nfs/dbraw/zinc/11/85/67/818118567.db2.gz HRWKVTSDTTVXGH-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO CC(C)Oc1ccc(C[N@H+](C)Cc2cccc(C#N)c2)cn1 ZINC001231538289 818121803 /nfs/dbraw/zinc/12/18/03/818121803.db2.gz XSDIFNZOUYLYEY-UHFFFAOYSA-N 1 1 295.386 3.372 20 30 CGEDMO CC(C)Oc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)cn1 ZINC001231538289 818121808 /nfs/dbraw/zinc/12/18/08/818121808.db2.gz XSDIFNZOUYLYEY-UHFFFAOYSA-N 1 1 295.386 3.372 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CCC[C@H]2c2cc(C)on2)c1 ZINC001231657019 818150880 /nfs/dbraw/zinc/15/08/80/818150880.db2.gz VJANNDKXORSNSM-KRWDZBQOSA-N 1 1 266.344 3.301 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CCC[C@H]2c2cc(C)on2)c1 ZINC001231657019 818150882 /nfs/dbraw/zinc/15/08/82/818150882.db2.gz VJANNDKXORSNSM-KRWDZBQOSA-N 1 1 266.344 3.301 20 30 CGEDMO CC(C)Oc1ncccc1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001231762062 818168901 /nfs/dbraw/zinc/16/89/01/818168901.db2.gz KMPHUSAYXROFEW-MKZZRHPPSA-N 1 1 285.391 3.135 20 30 CGEDMO CC(C)Oc1ncccc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001231762062 818168903 /nfs/dbraw/zinc/16/89/03/818168903.db2.gz KMPHUSAYXROFEW-MKZZRHPPSA-N 1 1 285.391 3.135 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@H](C#N)CC2)cc1 ZINC001231820688 818184144 /nfs/dbraw/zinc/18/41/44/818184144.db2.gz RTUTTZFVWLFSDP-MRXNPFEDSA-N 1 1 296.418 3.162 20 30 CGEDMO C=CC[N@@H+](C)Cc1cc(Cl)ncc1C(F)(F)F ZINC001231931979 818213567 /nfs/dbraw/zinc/21/35/67/818213567.db2.gz QSUUWTJBMGGVAR-UHFFFAOYSA-N 1 1 264.678 3.372 20 30 CGEDMO C=CC[N@H+](C)Cc1cc(Cl)ncc1C(F)(F)F ZINC001231931979 818213574 /nfs/dbraw/zinc/21/35/74/818213574.db2.gz QSUUWTJBMGGVAR-UHFFFAOYSA-N 1 1 264.678 3.372 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1ccc(NC(C)=O)cc1C ZINC001232187120 818270908 /nfs/dbraw/zinc/27/09/08/818270908.db2.gz DVZPIKGRTKAJLC-UHFFFAOYSA-N 1 1 273.380 3.079 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1ccc(NC(C)=O)cc1C ZINC001232187120 818270915 /nfs/dbraw/zinc/27/09/15/818270915.db2.gz DVZPIKGRTKAJLC-UHFFFAOYSA-N 1 1 273.380 3.079 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(Cl)c(O)cc1O ZINC001232262954 818298534 /nfs/dbraw/zinc/29/85/34/818298534.db2.gz XHYBRVKWZOYQIS-UHFFFAOYSA-N 1 1 255.745 3.149 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cc(OC)c(Cl)cc2OC)C1 ZINC001232374334 818330189 /nfs/dbraw/zinc/33/01/89/818330189.db2.gz QQANKGUWPVFZLS-LBPRGKRZSA-N 1 1 293.794 3.202 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(OC)c(Cl)cc2OC)C1 ZINC001232374334 818330197 /nfs/dbraw/zinc/33/01/97/818330197.db2.gz QQANKGUWPVFZLS-LBPRGKRZSA-N 1 1 293.794 3.202 20 30 CGEDMO N#Cc1ccnc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)c1 ZINC001232480944 818365177 /nfs/dbraw/zinc/36/51/77/818365177.db2.gz OEAXATRLBXBHFC-AWEZNQCLSA-N 1 1 281.334 3.082 20 30 CGEDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cc(C#N)ccn1 ZINC001232482516 818366757 /nfs/dbraw/zinc/36/67/57/818366757.db2.gz WXILDIAUEJTZPC-UHFFFAOYSA-N 1 1 294.402 3.041 20 30 CGEDMO CNc1ccccc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC001232673936 818414629 /nfs/dbraw/zinc/41/46/29/818414629.db2.gz OWOFVOBEAKXKPS-UHFFFAOYSA-N 1 1 265.360 3.232 20 30 CGEDMO N#Cc1ccc([O-])c(C[N@H+]2CC[C@H](Cc3ccccc3)C2)c1 ZINC001232679103 818416725 /nfs/dbraw/zinc/41/67/25/818416725.db2.gz CJUHGKRHKPIJHL-QGZVFWFLSA-N 1 1 292.382 3.328 20 30 CGEDMO N#Cc1ccc([O-])c(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)c1 ZINC001232678502 818416853 /nfs/dbraw/zinc/41/68/53/818416853.db2.gz AXIXLRZNZULFJB-GOEBONIOSA-N 1 1 270.376 3.418 20 30 CGEDMO CC[N@@H+](Cc1ccc(F)cc1)Cc1cc(C#N)ccc1[O-] ZINC001232678788 818417333 /nfs/dbraw/zinc/41/73/33/818417333.db2.gz PWIAWRDQYMDQFW-UHFFFAOYSA-N 1 1 284.334 3.425 20 30 CGEDMO N#Cc1ccc([O-])c(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC001232678910 818417846 /nfs/dbraw/zinc/41/78/46/818417846.db2.gz UPDISIUVWJNMHA-OAHLLOKOSA-N 1 1 296.345 3.392 20 30 CGEDMO C[C@@]1(F)CCC[N@H+](Cc2cc(F)ccc2C#N)CC1 ZINC001232888958 818465638 /nfs/dbraw/zinc/46/56/38/818465638.db2.gz VPNKFYFRGVTOKT-OAHLLOKOSA-N 1 1 264.319 3.411 20 30 CGEDMO C[C@@]1(F)CCC[N@@H+](Cc2cc(F)ccc2C#N)CC1 ZINC001232888958 818465641 /nfs/dbraw/zinc/46/56/41/818465641.db2.gz VPNKFYFRGVTOKT-OAHLLOKOSA-N 1 1 264.319 3.411 20 30 CGEDMO CC[N@@H+](Cc1[nH]ccc1C#N)[C@@H](C)Cc1ccc(OC)cc1 ZINC001233046212 818509035 /nfs/dbraw/zinc/50/90/35/818509035.db2.gz QIIOIBOEJICNGQ-AWEZNQCLSA-N 1 1 297.402 3.348 20 30 CGEDMO N#Cc1cc[nH]c1C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC001233049615 818511222 /nfs/dbraw/zinc/51/12/22/818511222.db2.gz ROWODNJJMDQCII-INIZCTEOSA-N 1 1 283.350 3.233 20 30 CGEDMO N#Cc1cc[nH]c1C[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001233047825 818511308 /nfs/dbraw/zinc/51/13/08/818511308.db2.gz MSCJBPJJMGIWHK-OAHLLOKOSA-N 1 1 257.381 3.289 20 30 CGEDMO CC[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(C#N)c2F)C1 ZINC001233101597 818521855 /nfs/dbraw/zinc/52/18/55/818521855.db2.gz ANZMNCUEAINVKD-ZDUSSCGKSA-N 1 1 289.398 3.385 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1[O-])[C@@H]1CCc2ccccc21 ZINC001233387842 818606761 /nfs/dbraw/zinc/60/67/61/818606761.db2.gz AXSUAILZMDZATN-QGZVFWFLSA-N 1 1 278.355 3.383 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1O)[C@@H]1CCc2ccccc21 ZINC001233387842 818606763 /nfs/dbraw/zinc/60/67/63/818606763.db2.gz AXSUAILZMDZATN-QGZVFWFLSA-N 1 1 278.355 3.383 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1O)[C@@H]1CCc2ccccc21 ZINC001233387842 818606771 /nfs/dbraw/zinc/60/67/71/818606771.db2.gz AXSUAILZMDZATN-QGZVFWFLSA-N 1 1 278.355 3.383 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233455542 818623972 /nfs/dbraw/zinc/62/39/72/818623972.db2.gz PCZTYHAKBCHQQU-CYBMUJFWSA-N 1 1 284.281 3.147 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233455542 818623976 /nfs/dbraw/zinc/62/39/76/818623976.db2.gz PCZTYHAKBCHQQU-CYBMUJFWSA-N 1 1 284.281 3.147 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCC1CCC1 ZINC001233538318 818636536 /nfs/dbraw/zinc/63/65/36/818636536.db2.gz IRNUHNJZLOGVSG-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C/C=C(\C)C(=O)N(C)C[C@H]1CC[N@@H+]1CCCCCCC ZINC001233568919 818644485 /nfs/dbraw/zinc/64/44/85/818644485.db2.gz HIYHOVZRRHSSNF-KNDGBBJPSA-N 1 1 280.456 3.456 20 30 CGEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc3cc(C#N)[nH]c3c1)C2 ZINC001233997653 818751070 /nfs/dbraw/zinc/75/10/70/818751070.db2.gz YRTCXMUKSNRYIZ-MIFYACCESA-N 1 1 281.359 3.044 20 30 CGEDMO CC[N@H+]1CC[C@H](Oc2c(C#N)ccc(Cl)c2Cl)C1 ZINC001234425302 818853183 /nfs/dbraw/zinc/85/31/83/818853183.db2.gz RTHKXIYPRKZAEF-JTQLQIEISA-N 1 1 285.174 3.338 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)C(=C)Cl ZINC001234555588 818880936 /nfs/dbraw/zinc/88/09/36/818880936.db2.gz XDCMSRWLOGKLCD-AWEZNQCLSA-N 1 1 298.858 3.264 20 30 CGEDMO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1CCCC1CCC1 ZINC001234614756 818892633 /nfs/dbraw/zinc/89/26/33/818892633.db2.gz UYPUNARGTUTVFY-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCNC(=O)C=C1CCCCC1 ZINC001234983915 818969885 /nfs/dbraw/zinc/96/98/85/818969885.db2.gz JNCZBCOUNYGIPM-UHFFFAOYSA-N 1 1 284.831 3.068 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCNC(=O)C=C1CCCCC1 ZINC001234983915 818969891 /nfs/dbraw/zinc/96/98/91/818969891.db2.gz JNCZBCOUNYGIPM-UHFFFAOYSA-N 1 1 284.831 3.068 20 30 CGEDMO C=CCCC[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235361952 819077844 /nfs/dbraw/zinc/07/78/44/819077844.db2.gz GHODINQNMZATQV-OALUTQOASA-N 1 1 284.447 3.206 20 30 CGEDMO C[C@@]1(F)CC[N@H+](Cc2ccccc2CC#N)C[C@@H]1F ZINC001235510429 819112247 /nfs/dbraw/zinc/11/22/47/819112247.db2.gz AXBRRTFCIZSWGA-LSDHHAIUSA-N 1 1 264.319 3.025 20 30 CGEDMO C[C@@]1(F)CC[N@@H+](Cc2ccccc2CC#N)C[C@@H]1F ZINC001235510429 819112252 /nfs/dbraw/zinc/11/22/52/819112252.db2.gz AXBRRTFCIZSWGA-LSDHHAIUSA-N 1 1 264.319 3.025 20 30 CGEDMO C[N@@H+](CCC(=O)c1ccccc1)Cc1ccccc1CC#N ZINC001235522512 819115095 /nfs/dbraw/zinc/11/50/95/819115095.db2.gz GYCNWQIGUVVDEQ-UHFFFAOYSA-N 1 1 292.382 3.457 20 30 CGEDMO N#CCc1ccccc1C[N@H+]1CC[C@@H](COCC2CC2)C1 ZINC001235526568 819115677 /nfs/dbraw/zinc/11/56/77/819115677.db2.gz DPDSZBJXWJHEMS-MRXNPFEDSA-N 1 1 284.403 3.001 20 30 CGEDMO CC[N@H+](CCN1CCCCC1)Cc1ccccc1CC#N ZINC001235531067 819116494 /nfs/dbraw/zinc/11/64/94/819116494.db2.gz ZVSRJOLZTBSSOX-UHFFFAOYSA-N 1 1 285.435 3.060 20 30 CGEDMO CC[N@@H+](CCN1CCCCC1)Cc1ccccc1CC#N ZINC001235531067 819116496 /nfs/dbraw/zinc/11/64/96/819116496.db2.gz ZVSRJOLZTBSSOX-UHFFFAOYSA-N 1 1 285.435 3.060 20 30 CGEDMO N#Cc1cc(F)c(C[N@H+]2CCC[C@@H](CF)C2)c(F)c1 ZINC001235656437 819130262 /nfs/dbraw/zinc/13/02/62/819130262.db2.gz DRJPZVCCLLIPSG-JTQLQIEISA-N 1 1 268.282 3.018 20 30 CGEDMO N#Cc1cc(F)c(C[N@@H+]2CCC[C@@H](CF)C2)c(F)c1 ZINC001235656437 819130267 /nfs/dbraw/zinc/13/02/67/819130267.db2.gz DRJPZVCCLLIPSG-JTQLQIEISA-N 1 1 268.282 3.018 20 30 CGEDMO COC(C)(C)[C@@H]1CCC[N@H+]1Cc1c(F)cc(C#N)cc1F ZINC001235658461 819130841 /nfs/dbraw/zinc/13/08/41/819130841.db2.gz NUPKVHLFKSZUHY-HNNXBMFYSA-N 1 1 294.345 3.226 20 30 CGEDMO N#Cc1ccc(C2CCN(CC[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC001236181892 819359522 /nfs/dbraw/zinc/35/95/22/819359522.db2.gz KRVUZJLHPNAGOV-LJQANCHMSA-N 1 1 297.446 3.270 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1ccc(OC)c(Cl)c1O ZINC001236805520 819602983 /nfs/dbraw/zinc/60/29/83/819602983.db2.gz AYRZQVVWASPPHO-UHFFFAOYSA-N 1 1 269.772 3.452 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(OC)c(Cl)c1O ZINC001236805520 819602989 /nfs/dbraw/zinc/60/29/89/819602989.db2.gz AYRZQVVWASPPHO-UHFFFAOYSA-N 1 1 269.772 3.452 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1c(C)cc(OC)cc1O ZINC001236812266 819603794 /nfs/dbraw/zinc/60/37/94/819603794.db2.gz BGSFEGVCGJUHTL-UHFFFAOYSA-N 1 1 276.380 3.225 20 30 CGEDMO CC[N@@H+](Cc1cn(C)c2ccc(C#N)cc12)C(C)C ZINC001237465042 819757393 /nfs/dbraw/zinc/75/73/93/819757393.db2.gz HQUSMIYEKXAEHW-UHFFFAOYSA-N 1 1 255.365 3.280 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@@H]3C[C@@H]32)c2cc(C#N)ccc21 ZINC001237473346 819758749 /nfs/dbraw/zinc/75/87/49/819758749.db2.gz YBPYCYMSMBOWIU-DYVFJYSZSA-N 1 1 265.360 3.034 20 30 CGEDMO COc1c(C)cccc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001237515357 819769360 /nfs/dbraw/zinc/76/93/60/819769360.db2.gz YRFHWDZVCMKBNK-AWEZNQCLSA-N 1 1 258.365 3.129 20 30 CGEDMO C[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)c(F)cc1F ZINC001237530790 819772041 /nfs/dbraw/zinc/77/20/41/819772041.db2.gz RAGAXKIIDBXKQT-SNVBAGLBSA-N 1 1 250.292 3.211 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1Cc1cc(C#N)c(F)cc1F ZINC001237530790 819772044 /nfs/dbraw/zinc/77/20/44/819772044.db2.gz RAGAXKIIDBXKQT-SNVBAGLBSA-N 1 1 250.292 3.211 20 30 CGEDMO CC[C@@H]1CCC[N@H+](Cc2cc(C#N)c(F)cc2F)C1 ZINC001237528382 819772107 /nfs/dbraw/zinc/77/21/07/819772107.db2.gz AKBAVWHLIPVJLP-LLVKDONJSA-N 1 1 264.319 3.458 20 30 CGEDMO CC[C@@H]1CCC[N@@H+](Cc2cc(C#N)c(F)cc2F)C1 ZINC001237528382 819772109 /nfs/dbraw/zinc/77/21/09/819772109.db2.gz AKBAVWHLIPVJLP-LLVKDONJSA-N 1 1 264.319 3.458 20 30 CGEDMO CCCCC[N@@H+](C)Cc1cc(C#N)c(F)cc1F ZINC001237526533 819772332 /nfs/dbraw/zinc/77/23/32/819772332.db2.gz BMWXMJHTUGFUIY-UHFFFAOYSA-N 1 1 252.308 3.458 20 30 CGEDMO C[C@H]1CC[C@H]([N@@H+](C)Cc2cn3cc(C#N)ccc3n2)CC1 ZINC001237607920 819786003 /nfs/dbraw/zinc/78/60/03/819786003.db2.gz CQCUVPSGGXFVGN-SAZUREKKSA-N 1 1 282.391 3.216 20 30 CGEDMO CC(C)O[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001237754178 819837224 /nfs/dbraw/zinc/83/72/24/819837224.db2.gz TVLUIMBLSPXJMI-HNNXBMFYSA-N 1 1 278.783 3.211 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237798641 819844841 /nfs/dbraw/zinc/84/48/41/819844841.db2.gz JSDHGQNAODBEDS-JTQLQIEISA-N 1 1 267.731 3.030 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2[nH]nc3cc(Cl)ccc32)CC1 ZINC001238001143 819908496 /nfs/dbraw/zinc/90/84/96/819908496.db2.gz SANOAZAOUWKBBF-NSHDSACASA-N 1 1 288.782 3.342 20 30 CGEDMO C[C@@]1(CO)CCC[N@@H+](Cc2ccc(Cl)c(C#N)c2)CC1 ZINC001238188617 819950595 /nfs/dbraw/zinc/95/05/95/819950595.db2.gz GLIFBNWUEYFVCQ-MRXNPFEDSA-N 1 1 292.810 3.196 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(F)c(OC(C)C)c2)C1 ZINC001238458613 820006728 /nfs/dbraw/zinc/00/67/28/820006728.db2.gz QVTIXQOPJRRQMN-CQSZACIVSA-N 1 1 275.367 3.458 20 30 CGEDMO C#CC[NH+](CC#C)Cc1cc(C)c(OC(C)C)c(C)c1 ZINC001238754733 820108044 /nfs/dbraw/zinc/10/80/44/820108044.db2.gz LKAAXXNVNHYBBA-UHFFFAOYSA-N 1 1 269.388 3.159 20 30 CGEDMO CCc1cc(C[N@H+]2CCC[C@](C)(CO)CC2)ccc1C#N ZINC001238766974 820111540 /nfs/dbraw/zinc/11/15/40/820111540.db2.gz QTSOSYZRUIQFIW-SFHVURJKSA-N 1 1 286.419 3.105 20 30 CGEDMO CCc1cc(C[N@H+]2CC[C@H](OC)C[C@@H]2C)ccc1C#N ZINC001238771441 820114113 /nfs/dbraw/zinc/11/41/13/820114113.db2.gz FHTDFSRJOIPKAW-GUYCJALGSA-N 1 1 272.392 3.120 20 30 CGEDMO CCc1cc(C[N@@H+]2CCc3ncccc3C2)ccc1C#N ZINC001238778109 820116631 /nfs/dbraw/zinc/11/66/31/820116631.db2.gz KNNPUXGRKHTUHR-UHFFFAOYSA-N 1 1 277.371 3.074 20 30 CGEDMO CCc1cc(C[N@H+]2CCc3ncccc3C2)ccc1C#N ZINC001238778109 820116634 /nfs/dbraw/zinc/11/66/34/820116634.db2.gz KNNPUXGRKHTUHR-UHFFFAOYSA-N 1 1 277.371 3.074 20 30 CGEDMO C=CC[NH+]1CCN(Cc2c(C)cc(F)cc2Cl)CC1 ZINC001238787122 820122074 /nfs/dbraw/zinc/12/20/74/820122074.db2.gz NPGHTCXIQPXBDW-UHFFFAOYSA-N 1 1 282.790 3.091 20 30 CGEDMO CCCCCCCOC(=O)NCc1ccc(N)[nH+]c1C ZINC001239319629 820266790 /nfs/dbraw/zinc/26/67/90/820266790.db2.gz MYVBWEFSENYNOH-UHFFFAOYSA-N 1 1 279.384 3.169 20 30 CGEDMO C[N@H+]1CCc2c(F)cc(-c3ccc(C#N)c(F)c3)cc2C1 ZINC001240162723 820867298 /nfs/dbraw/zinc/86/72/98/820867298.db2.gz QTTNBWONAKTIHZ-UHFFFAOYSA-N 1 1 284.309 3.491 20 30 CGEDMO C[N@@H+]1CC=C(c2ncccc2C#C[Si](C)(C)C)CC1 ZINC001241310544 821722619 /nfs/dbraw/zinc/72/26/19/821722619.db2.gz HHRJXVJYAIJFGJ-UHFFFAOYSA-N 1 1 270.452 3.029 20 30 CGEDMO N#Cc1cccnc1C1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001241501364 821903755 /nfs/dbraw/zinc/90/37/55/821903755.db2.gz BMWGQBGYDYFPFS-UHFFFAOYSA-N 1 1 275.355 3.243 20 30 CGEDMO C#Cc1cccc(-c2cc(N)c(C(F)(F)F)c[nH+]2)c1 ZINC001241916033 822215205 /nfs/dbraw/zinc/21/52/05/822215205.db2.gz GMINWWCJPVLNDQ-UHFFFAOYSA-N 1 1 262.234 3.331 20 30 CGEDMO C[N@H+]1CCCC[C@H]1c1ccc(-c2cccnc2C#N)nc1 ZINC001242311590 822947871 /nfs/dbraw/zinc/94/78/71/822947871.db2.gz REUQOAZOWBHESB-KRWDZBQOSA-N 1 1 278.359 3.172 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)C[C@H]1C[C@@]1(C)Br ZINC001335416593 936144789 /nfs/dbraw/zinc/14/47/89/936144789.db2.gz JPACGLVXDDGVAL-DGCLKSJQSA-N 1 1 287.245 3.422 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@H]1C[C@@]1(C)Br ZINC001335416593 936144791 /nfs/dbraw/zinc/14/47/91/936144791.db2.gz JPACGLVXDDGVAL-DGCLKSJQSA-N 1 1 287.245 3.422 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC001343420678 936500029 /nfs/dbraw/zinc/50/00/29/936500029.db2.gz GEOODBKCWLGFPY-GFCCVEGCSA-N 1 1 269.747 3.256 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC001343420678 936500030 /nfs/dbraw/zinc/50/00/30/936500030.db2.gz GEOODBKCWLGFPY-GFCCVEGCSA-N 1 1 269.747 3.256 20 30 CGEDMO C[N@H+]1CCCC[C@H]1CCOC(=O)CC1(C#N)CCCCC1 ZINC001346826847 936863463 /nfs/dbraw/zinc/86/34/63/936863463.db2.gz BTRWEAJYWUFUDJ-HNNXBMFYSA-N 1 1 292.423 3.268 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC001479909781 936922937 /nfs/dbraw/zinc/92/29/37/936922937.db2.gz QDKUIXYUMBEKQY-CVEARBPZSA-N 1 1 290.451 3.278 20 30 CGEDMO C[C@H](Nc1cccnc1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001354157507 937092315 /nfs/dbraw/zinc/09/23/15/937092315.db2.gz QZCLXBASXQRFKT-UONOGXRCSA-N 1 1 284.407 3.018 20 30 CGEDMO CC[N@H+]1CC[C@H](N(C)c2cc(F)ccc2C#N)C[C@@H]1C ZINC001472704617 937105621 /nfs/dbraw/zinc/10/56/21/937105621.db2.gz CBWGVUBIEVZEBZ-WFASDCNBSA-N 1 1 275.371 3.006 20 30 CGEDMO C=C1CCC(C(=O)NCC[N@H+](C)CC(CC)CC)CC1 ZINC001480906519 926769005 /nfs/dbraw/zinc/76/90/05/926769005.db2.gz BDUOBDCLKXLCAR-UHFFFAOYSA-N 1 1 280.456 3.217 20 30 CGEDMO N#Cc1cc(F)cc(C[N@H+]2CCC[C@H]3CCC[C@H]32)c1 ZINC000227418368 926846007 /nfs/dbraw/zinc/84/60/07/926846007.db2.gz JVPZQTUAGLUWJV-GDBMZVCRSA-N 1 1 258.340 3.462 20 30 CGEDMO C=CC[N@@H+](CC)CCNC(=O)c1cc2cscc2s1 ZINC001480989658 926853616 /nfs/dbraw/zinc/85/36/16/926853616.db2.gz MGEDFZDHXTVCNZ-UHFFFAOYSA-N 1 1 294.445 3.201 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CCC[N@@H+]2CCC(C)C)CCC1 ZINC001481058063 926876386 /nfs/dbraw/zinc/87/63/86/926876386.db2.gz UZHVMARWVBELPL-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](CNC(=O)C/C=C/c2ccc(C)cc2)C1 ZINC001481128932 926892162 /nfs/dbraw/zinc/89/21/62/926892162.db2.gz WUHMNPGNCZANEN-WRFKIARRSA-N 1 1 298.430 3.022 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)C[C@H]1C=CCCC1)C(C)C ZINC001481350116 926965098 /nfs/dbraw/zinc/96/50/98/926965098.db2.gz HYHZINOHFFMEGX-INIZCTEOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CC[N@H+](CCCNC(=O)C1CC2(CC2)C1)C(C)C ZINC001481355199 926968183 /nfs/dbraw/zinc/96/81/83/926968183.db2.gz YUOCCELOHDCGNU-UHFFFAOYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCC[C@@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC001481446543 926986160 /nfs/dbraw/zinc/98/61/60/926986160.db2.gz IBXQIWIFBBTXOD-YRPJOXRESA-N 1 1 298.858 3.169 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)CCC2CCC2)C1 ZINC001481482248 926998378 /nfs/dbraw/zinc/99/83/78/926998378.db2.gz OHAMZZIEIDXBRL-HNNXBMFYSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)CCCC)C1 ZINC001481483613 927000868 /nfs/dbraw/zinc/00/08/68/927000868.db2.gz DLCHSCLUVHZHEB-JKSUJKDBSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@H](C[N@@H+](C)CCC2CC2)C1 ZINC001481496670 927003328 /nfs/dbraw/zinc/00/33/28/927003328.db2.gz DCJQYSNAQQJYIZ-MRXNPFEDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCN(C(=O)CC2(C)CCCCC2)C1 ZINC001481489952 927004664 /nfs/dbraw/zinc/00/46/64/927004664.db2.gz BYJNWSPDDABBOO-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CC1CCN(C(=O)CC2CC2)CC1 ZINC001481508197 927007863 /nfs/dbraw/zinc/00/78/63/927007863.db2.gz AAZYSXXQCOUAFI-HNNXBMFYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC(C[N@H+](C)CCC)CC1 ZINC001481514330 927009799 /nfs/dbraw/zinc/00/97/99/927009799.db2.gz AXPCPUUGDROGFK-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C(C)C)C1 ZINC001481525729 927014546 /nfs/dbraw/zinc/01/45/46/927014546.db2.gz HBWONXTUUBTHDG-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)CCC(=C)C)C1 ZINC001481525845 927014731 /nfs/dbraw/zinc/01/47/31/927014731.db2.gz KTSPVZGIPLDORB-JKSUJKDBSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)CCC2(C)CC2)C1 ZINC001481530183 927017723 /nfs/dbraw/zinc/01/77/23/927017723.db2.gz WMWJJLWBEMADCJ-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC)CCCCC)C1 ZINC001481539454 927022286 /nfs/dbraw/zinc/02/22/86/927022286.db2.gz OHUOSFIFHWAWDV-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C)cc1 ZINC001481670838 927051958 /nfs/dbraw/zinc/05/19/58/927051958.db2.gz LBUFHCMIGCXQQA-ROUUACIJSA-N 1 1 298.430 3.136 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@H](NC(=O)C2=CCCC2)C1 ZINC001481687989 927060006 /nfs/dbraw/zinc/06/00/06/927060006.db2.gz XTFQSMVPTHDKBL-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)c2occc2Cl)C1 ZINC001481739559 927076686 /nfs/dbraw/zinc/07/66/86/927076686.db2.gz AMPMPEJHMXUQID-LBPRGKRZSA-N 1 1 296.798 3.046 20 30 CGEDMO CCC[C@@H](C)[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC001354529029 927253126 /nfs/dbraw/zinc/25/31/26/927253126.db2.gz SFYJXROOYKTDCW-ZBFHGGJFSA-N 1 1 257.381 3.127 20 30 CGEDMO CCC[C@@H](C)[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC001354529029 927253137 /nfs/dbraw/zinc/25/31/37/927253137.db2.gz SFYJXROOYKTDCW-ZBFHGGJFSA-N 1 1 257.381 3.127 20 30 CGEDMO C=CC(C)(C)C(=O)N(C)CC[N@H+](C)CC(CC)CC ZINC001482619040 927327853 /nfs/dbraw/zinc/32/78/53/927327853.db2.gz MJYUDJBNYXWJOW-UHFFFAOYSA-N 1 1 268.445 3.025 20 30 CGEDMO C=CCCCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CC(=C)Cl)C1 ZINC001482664673 927342202 /nfs/dbraw/zinc/34/22/02/927342202.db2.gz VYTVUHJKSKHACE-LSDHHAIUSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)C(C)C ZINC001483343208 927485968 /nfs/dbraw/zinc/48/59/68/927485968.db2.gz WNMQEWCXJSBCNB-CQSZACIVSA-N 1 1 268.445 3.071 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCCC)C1 ZINC001483803047 927624407 /nfs/dbraw/zinc/62/44/07/927624407.db2.gz YSWHDNZARKPBQY-DLBZAZTESA-N 1 1 292.467 3.456 20 30 CGEDMO C#CCC[N@H+](CCNC(=O)/C(C)=C\C)C1CCCCCC1 ZINC001483813973 927629118 /nfs/dbraw/zinc/62/91/18/927629118.db2.gz BFZHTMCCTQRKKE-BNCCVWRVSA-N 1 1 290.451 3.117 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@H](C)CC)C2)C1 ZINC001483838828 927634113 /nfs/dbraw/zinc/63/41/13/927634113.db2.gz MNBQIEUAYWZHAX-AEFFLSMTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)CC=C)C2)C1 ZINC001483849604 927635684 /nfs/dbraw/zinc/63/56/84/927635684.db2.gz YNRBGLLTLBNGAH-GOSISDBHSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCCCCC[NH+]1CC(N(C)C(=O)C2(CC)CC2)C1 ZINC001483876590 927638041 /nfs/dbraw/zinc/63/80/41/927638041.db2.gz FWTYHPMTKOATBC-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)C(CC)CC)C[C@H]2C1 ZINC001484402518 927701636 /nfs/dbraw/zinc/70/16/36/927701636.db2.gz BHHRHOYWHMUQPI-BHYGNILZSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2CCCN(C(=O)/C(C)=C\C)[C@@H]2C1 ZINC001484470035 927708850 /nfs/dbraw/zinc/70/88/50/927708850.db2.gz QXRYRIIOAKACHV-KOIHLDCMSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)CC=C ZINC001484464795 927709267 /nfs/dbraw/zinc/70/92/67/927709267.db2.gz OSYIBJPPGIVAJJ-CVEARBPZSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[C@H](C)C1 ZINC001484753846 927753004 /nfs/dbraw/zinc/75/30/04/927753004.db2.gz AXPDICHADRZCGN-HOTGVXAUSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)CC(C)=C(C)C ZINC001484755271 927756949 /nfs/dbraw/zinc/75/69/49/927756949.db2.gz QPMJIFMEEQOZKS-UHFFFAOYSA-N 1 1 280.456 3.479 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)CCC)C(C)(C)C1 ZINC001484930485 927775131 /nfs/dbraw/zinc/77/51/31/927775131.db2.gz MNUPNXKCGZILMX-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)C2CC(C)(C)C2)C[C@@H]1C ZINC001484974529 927780971 /nfs/dbraw/zinc/78/09/71/927780971.db2.gz VHKDBSDOIFBQIT-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CCC(=O)N1CCC(C[N@@H+](CC)CCCF)CC1 ZINC001485030660 927790454 /nfs/dbraw/zinc/79/04/54/927790454.db2.gz AHJMSOPYGDCWDR-UHFFFAOYSA-N 1 1 298.446 3.263 20 30 CGEDMO C=CC[N@H+](CC)CC1CCN(C(=O)[C@@H](C)[C@@H](C)CC)CC1 ZINC001485033344 927793157 /nfs/dbraw/zinc/79/31/57/927793157.db2.gz DUGPDRIFZKZZGD-HOTGVXAUSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)C1(CCC)CCC1 ZINC001485065585 927794483 /nfs/dbraw/zinc/79/44/83/927794483.db2.gz MMUKGNOPFRGPMA-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)C1(C2CC2)CC1 ZINC001485062374 927803257 /nfs/dbraw/zinc/80/32/57/927803257.db2.gz FRWDGUWAZFGMAC-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)c1cccc(C)c1 ZINC001485269976 927836475 /nfs/dbraw/zinc/83/64/75/927836475.db2.gz FAVCYVVQMLVGTQ-HNNXBMFYSA-N 1 1 274.408 3.011 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H]2C[N@H+](C(C)C)C[C@@H]2C1 ZINC001485659103 927898320 /nfs/dbraw/zinc/89/83/20/927898320.db2.gz YJYQANQREXRNMN-HRCADAONSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CCCC[N@H+](CC)CCC(=O)NCC1CCCCC1 ZINC001473861600 937201745 /nfs/dbraw/zinc/20/17/45/937201745.db2.gz DEACERSADNRBHM-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C#CC[N@H+](C)CCN(C(=O)CCCCC(C)(C)C)C(C)C ZINC001486370697 928011091 /nfs/dbraw/zinc/01/10/91/928011091.db2.gz ZVURLDPSDFWSOK-UHFFFAOYSA-N 1 1 294.483 3.395 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)[C@@H](CCCC)C(C)C)CC1 ZINC001486521577 928032164 /nfs/dbraw/zinc/03/21/64/928032164.db2.gz FUUYVFVJYRGALT-KRWDZBQOSA-N 1 1 292.467 3.383 20 30 CGEDMO COc1ccc(C#N)cc1Nc1cc(C)cc(C)[nH+]1 ZINC001201575762 928281819 /nfs/dbraw/zinc/28/18/19/928281819.db2.gz WNTUBWSIFFONQE-UHFFFAOYSA-N 1 1 253.305 3.322 20 30 CGEDMO C#CCCCCCC(=O)N[C@H]1CC[N@@H+](CC(=C)C)[C@@H]1CC ZINC001489124787 928314845 /nfs/dbraw/zinc/31/48/45/928314845.db2.gz AXTRPQUMFYNTOH-DLBZAZTESA-N 1 1 290.451 3.115 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)[C@H]1C ZINC001489288969 928323978 /nfs/dbraw/zinc/32/39/78/928323978.db2.gz PEQMWBUZPCVGBE-OAGGEKHMSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@H+](C[C@H](F)CC)CC(C)(C)C1 ZINC001489343661 928327662 /nfs/dbraw/zinc/32/76/62/928327662.db2.gz IPOLYQLKEFILEU-CABCVRRESA-N 1 1 298.446 3.308 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)c1ccc(C)cc1C)C1CC1 ZINC001490394823 928353423 /nfs/dbraw/zinc/35/34/23/928353423.db2.gz ZWTHYSCDJZJFCP-UHFFFAOYSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@H+](CC2CC(C)C2)C1 ZINC001490438371 928359696 /nfs/dbraw/zinc/35/96/96/928359696.db2.gz IVVYZTLXYJZEGZ-UYSNPLJNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001490547823 928368359 /nfs/dbraw/zinc/36/83/59/928368359.db2.gz HEJQKSYRFSBXHT-RDJZCZTQSA-N 1 1 286.419 3.294 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001490553247 928370858 /nfs/dbraw/zinc/37/08/58/928370858.db2.gz POLVJOUTZOIXSF-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C#CCCCCCC(=O)N1CCC[C@@H](C[N@H+](C)C(C)C)C1 ZINC001490768918 928387578 /nfs/dbraw/zinc/38/75/78/928387578.db2.gz WOCYCDRSBLZJOL-KRWDZBQOSA-N 1 1 292.467 3.149 20 30 CGEDMO COc1ccc(C[NH2+]Cc2cc(F)ccc2F)cc1C#N ZINC000087824312 928686945 /nfs/dbraw/zinc/68/69/45/928686945.db2.gz IOXPQKGXGWWCFH-UHFFFAOYSA-N 1 1 288.297 3.135 20 30 CGEDMO C=CCCC[N@H+](CC)C[C@H](O)c1c(F)cccc1F ZINC001460903065 928748464 /nfs/dbraw/zinc/74/84/64/928748464.db2.gz VUFHIXMKAIDZFJ-AWEZNQCLSA-N 1 1 269.335 3.286 20 30 CGEDMO Cc1cc(Br)cc(C[NH2+]C[C@H](C)C#N)c1 ZINC000389993726 928796214 /nfs/dbraw/zinc/79/62/14/928796214.db2.gz PQCAPVHUPWXYLV-SNVBAGLBSA-N 1 1 267.170 3.007 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]2C[N@@H+](CCCC)CC[C@@H]21 ZINC001490983432 928821146 /nfs/dbraw/zinc/82/11/46/928821146.db2.gz GBQDEGHNYLAEMW-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C2CCC2)C1 ZINC001491113613 928832945 /nfs/dbraw/zinc/83/29/45/928832945.db2.gz IVUQDXUZYDYTCA-OAHLLOKOSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC001491212482 928845358 /nfs/dbraw/zinc/84/53/58/928845358.db2.gz HBSDRGCLXSHBFS-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC1(CC(=O)NCC[N@@H+]2CCC[C@@H]2C)CCCCC1 ZINC001457759855 937445322 /nfs/dbraw/zinc/44/53/22/937445322.db2.gz GUWAGGKKXBYNDG-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO CCC[C@@H](Cc1ccccc1)[N@@H+](CCC)C[C@H](O)CC#N ZINC001459431052 937488127 /nfs/dbraw/zinc/48/81/27/937488127.db2.gz YIMUHGDGCUIOEJ-ZWKOTPCHSA-N 1 1 288.435 3.384 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCN(CCC#N)CC(C)(C)C)C1 ZINC001459539191 937491091 /nfs/dbraw/zinc/49/10/91/937491091.db2.gz JVSJNHMCTXAWGY-IYBDPMFKSA-N 1 1 279.472 3.226 20 30 CGEDMO C[C@@H](c1ccccc1)[N@@H+](CCO)CC1CCC(C#N)CC1 ZINC001459794615 937500434 /nfs/dbraw/zinc/50/04/34/937500434.db2.gz YBLSHOFIXRTGNS-GTPINHCMSA-N 1 1 286.419 3.372 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@@H](OC)C[C@H]1C(=O)OC ZINC001459818166 937501410 /nfs/dbraw/zinc/50/14/10/937501410.db2.gz ILAHNEPLCIODDU-CVEARBPZSA-N 1 1 299.455 3.389 20 30 CGEDMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1cc(C#N)ccn1 ZINC001459931550 937507466 /nfs/dbraw/zinc/50/74/66/937507466.db2.gz JJKOFJHJAFJUJE-ZYHUDNBSSA-N 1 1 283.297 3.116 20 30 CGEDMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1cc(C#N)ccn1 ZINC001459931550 937507469 /nfs/dbraw/zinc/50/74/69/937507469.db2.gz JJKOFJHJAFJUJE-ZYHUDNBSSA-N 1 1 283.297 3.116 20 30 CGEDMO C=CC[N@@H+](C)CCOc1cc(Cl)cc(Cl)c1 ZINC001459982207 937509804 /nfs/dbraw/zinc/50/98/04/937509804.db2.gz DSWREJAHOIRUNT-UHFFFAOYSA-N 1 1 260.164 3.490 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1Cc1cc(F)ccc1F ZINC001460303783 937525879 /nfs/dbraw/zinc/52/58/79/937525879.db2.gz QHEBPSOXJDTJGX-HOTGVXAUSA-N 1 1 295.373 3.299 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@@H]2CC2CCCC2)CCC1 ZINC001460313274 937526212 /nfs/dbraw/zinc/52/62/12/937526212.db2.gz BBHPTWHIIMGRRB-IAGOWNOFSA-N 1 1 290.451 3.476 20 30 CGEDMO CCC#C[C@@H](C)[NH+]1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC001460568753 937535395 /nfs/dbraw/zinc/53/53/95/937535395.db2.gz SQVJEMAAAGTYMD-MRXNPFEDSA-N 1 1 295.430 3.087 20 30 CGEDMO CCC#C[C@H](C)[NH+]1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC001460568750 937535450 /nfs/dbraw/zinc/53/54/50/937535450.db2.gz SQVJEMAAAGTYMD-INIZCTEOSA-N 1 1 295.430 3.087 20 30 CGEDMO CC#CC[N@H+]1CCC[C@]1(C)Cc1ccc(F)c(F)c1 ZINC001460645886 937538136 /nfs/dbraw/zinc/53/81/36/937538136.db2.gz NRZZLDXGFVFSRQ-MRXNPFEDSA-N 1 1 263.331 3.385 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCCC[C@@H]1c1ncccn1 ZINC001460714783 937541809 /nfs/dbraw/zinc/54/18/09/937541809.db2.gz CGJCXQLHRWUGRA-CQSZACIVSA-N 1 1 272.396 3.334 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)c(F)c1 ZINC001140136403 931957237 /nfs/dbraw/zinc/95/72/37/931957237.db2.gz YWXPUSIGYDZCKM-ZIAGYGMSSA-N 1 1 258.340 3.319 20 30 CGEDMO C#C[C@@H]1CCCC[N@@H+]1CC[C@@H](C)OCc1ccccc1 ZINC001460913740 937552515 /nfs/dbraw/zinc/55/25/15/937552515.db2.gz BJZVDZMNDDURDZ-SJLPKXTDSA-N 1 1 271.404 3.470 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1cccc(C)c1Cl ZINC001155904851 931976974 /nfs/dbraw/zinc/97/69/74/931976974.db2.gz CLYREFCNBBWTHB-CYBMUJFWSA-N 1 1 294.826 3.275 20 30 CGEDMO C[N@@H+](Cc1cccs1)Cc1cc(F)cc(C#N)c1 ZINC000163547044 932003515 /nfs/dbraw/zinc/00/35/15/932003515.db2.gz GQCBSMMHNJBROO-UHFFFAOYSA-N 1 1 260.337 3.391 20 30 CGEDMO C[N@H+]1CCc2ccc(Nc3cccc(C#N)c3F)cc2C1 ZINC001216418406 932020754 /nfs/dbraw/zinc/02/07/54/932020754.db2.gz YNENDNJPNGMSTQ-UHFFFAOYSA-N 1 1 281.334 3.429 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nnc(-c2ccc(OCCC)cc2)o1 ZINC001217757757 932023365 /nfs/dbraw/zinc/02/33/65/932023365.db2.gz SIPYZPHBEBRWCW-HNNXBMFYSA-N 1 1 299.374 3.329 20 30 CGEDMO C=CCOc1cccc(C[NH2+]C2CCN(C(C)C)CC2)c1 ZINC001461015776 937559438 /nfs/dbraw/zinc/55/94/38/937559438.db2.gz MBMATJQMEYPTOF-UHFFFAOYSA-N 1 1 288.435 3.214 20 30 CGEDMO COC[C@H]([NH2+]Cc1csc(C#N)c1)c1ccc(F)cc1 ZINC001461255168 937572432 /nfs/dbraw/zinc/57/24/32/937572432.db2.gz QOYGVEQDHLRWMW-HNNXBMFYSA-N 1 1 290.363 3.236 20 30 CGEDMO COc1ccc(C[C@@H]2CC[N@H+]2CC#Cc2ccccc2)cc1 ZINC001461930368 937607816 /nfs/dbraw/zinc/60/78/16/937607816.db2.gz VKIUZTBDMCUZSS-IBGZPJMESA-N 1 1 291.394 3.364 20 30 CGEDMO C=CCCC(C)(C)NC(=O)NCCC[N@H+](C)CC(C)C ZINC001230639087 932602330 /nfs/dbraw/zinc/60/23/30/932602330.db2.gz RLTUYMYKKVPQHF-UHFFFAOYSA-N 1 1 283.460 3.008 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)c1cccs1 ZINC001230646519 932603156 /nfs/dbraw/zinc/60/31/56/932603156.db2.gz QGKOXLZPHTYPMY-KBPBESRZSA-N 1 1 292.448 3.249 20 30 CGEDMO C[N@@H+](Cc1cccn1C(F)F)Cc1cccc(C#N)c1 ZINC001462016880 937612665 /nfs/dbraw/zinc/61/26/65/937612665.db2.gz CEHNIWGERUYACV-UHFFFAOYSA-N 1 1 275.302 3.387 20 30 CGEDMO C[C@H]1CCCC[N@@H+](Cc2cc(C#N)ccc2N(C)C)C1 ZINC001462111919 937619060 /nfs/dbraw/zinc/61/90/60/937619060.db2.gz FUGWDHBYGFIYKW-AWEZNQCLSA-N 1 1 271.408 3.246 20 30 CGEDMO C=CC[C@H]([NH2+][C@H](CC)CCC(F)(F)F)C(=O)OCC ZINC001462194266 937623666 /nfs/dbraw/zinc/62/36/66/937623666.db2.gz YKKMHSFGNMOSIU-MNOVXSKESA-N 1 1 281.318 3.205 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)C(=C)C ZINC001316599701 932743929 /nfs/dbraw/zinc/74/39/29/932743929.db2.gz FDXXQBPJHRWOIZ-HZPDHXFCSA-N 1 1 292.467 3.476 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CCC=CCC1 ZINC001316610113 932749130 /nfs/dbraw/zinc/74/91/30/932749130.db2.gz QHEOYMGCKLWUFA-KRWDZBQOSA-N 1 1 290.451 3.232 20 30 CGEDMO CCCCN(O)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001306897578 932763352 /nfs/dbraw/zinc/76/33/52/932763352.db2.gz SUHRTGHEDVOFEB-MRXNPFEDSA-N 1 1 290.407 3.059 20 30 CGEDMO CCCCN(O)C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001306897578 932763359 /nfs/dbraw/zinc/76/33/59/932763359.db2.gz SUHRTGHEDVOFEB-MRXNPFEDSA-N 1 1 290.407 3.059 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2ccc([S@](C)=O)cc2)C1 ZINC001333986779 932763515 /nfs/dbraw/zinc/76/35/15/932763515.db2.gz FEKRALPPTXJFOT-LIRRHRJNSA-N 1 1 277.433 3.212 20 30 CGEDMO N#Cc1ccc(NC[C@@H]2CC[N@H+]2C2CCCCCC2)nc1 ZINC001307191910 932776687 /nfs/dbraw/zinc/77/66/87/932776687.db2.gz XRMHPBVYPLJCAB-INIZCTEOSA-N 1 1 284.407 3.162 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)/C=C\C(C)(C)C)C1 ZINC001491917255 932797192 /nfs/dbraw/zinc/79/71/92/932797192.db2.gz URRQITLTBHVFNA-JQPIKURYSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001491946575 932798340 /nfs/dbraw/zinc/79/83/40/932798340.db2.gz FHFKUDRVBVNLSC-IXDOHACOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)CCC2(C)CC2)C1 ZINC001491956538 932800110 /nfs/dbraw/zinc/80/01/10/932800110.db2.gz PZTPZPGWRIKSOV-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC1(C(=O)N2CCC[C@@H]([N@@H+](C)CCF)C2)CCCC1 ZINC001491966455 932800392 /nfs/dbraw/zinc/80/03/92/932800392.db2.gz FCMWOILQPXZSRF-OAHLLOKOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCCC(=O)NCCC[C@H]1CCC[N@@H+]1CC1CC(C)C1 ZINC001492143106 932806536 /nfs/dbraw/zinc/80/65/36/932806536.db2.gz ZHRSUOXJRNJWCK-JCYILVPMSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)C(C)(C)C=C ZINC001492164047 932806881 /nfs/dbraw/zinc/80/68/81/932806881.db2.gz OWCRPTXZTGBZSE-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)c1ccc(C)o1 ZINC001492137782 932808044 /nfs/dbraw/zinc/80/80/44/932808044.db2.gz LONHSFQWWHKRFD-HNNXBMFYSA-N 1 1 290.407 3.139 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)c1cccs1 ZINC001492136389 932809223 /nfs/dbraw/zinc/80/92/23/932809223.db2.gz VAGFVBXQCCSKOI-CQSZACIVSA-N 1 1 292.448 3.299 20 30 CGEDMO C=C1CC(C)(C(=O)NCC[N@H+](C)[C@@H](C)c2ccccc2)C1 ZINC001492407121 932817772 /nfs/dbraw/zinc/81/77/72/932817772.db2.gz REMHTZCEDRGUGF-HNNXBMFYSA-N 1 1 286.419 3.152 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C=C2CCC2)C1 ZINC001317200099 932819077 /nfs/dbraw/zinc/81/90/77/932819077.db2.gz IIRDSBWXESLVST-HIFRSBDPSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2c(OC)cc(F)cc2OC)C1 ZINC001462461034 937643254 /nfs/dbraw/zinc/64/32/54/937643254.db2.gz MDTUDJCLHALUNI-LBPRGKRZSA-N 1 1 279.355 3.241 20 30 CGEDMO C=C(C)C[C@H]([NH2+][C@H]1CCCC(C)(C)C1)C(=O)OCC ZINC001462550101 937649730 /nfs/dbraw/zinc/64/97/30/937649730.db2.gz NYWRYLMGBPGWOD-KBPBESRZSA-N 1 1 267.413 3.443 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)N(C)[C@@H]2CCCC[C@H]2C)C1 ZINC001307915893 933019900 /nfs/dbraw/zinc/01/99/00/933019900.db2.gz ZEOQORXKRUTDIP-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](C[C@@H](O)CC2CCCC2)C1 ZINC001307915881 933019961 /nfs/dbraw/zinc/01/99/61/933019961.db2.gz ZACZTZHIQMJBGW-HOTGVXAUSA-N 1 1 251.414 3.216 20 30 CGEDMO C[N@H+](CCN1CCCc2ccccc21)[C@@H]1CCC[C@H]1C#N ZINC001307992025 933031193 /nfs/dbraw/zinc/03/11/93/933031193.db2.gz BNGLKNMHVPEZKD-DLBZAZTESA-N 1 1 283.419 3.063 20 30 CGEDMO C[N@@H+](CCN1CCCc2ccccc21)[C@@H]1CCC[C@H]1C#N ZINC001307992025 933031197 /nfs/dbraw/zinc/03/11/97/933031197.db2.gz BNGLKNMHVPEZKD-DLBZAZTESA-N 1 1 283.419 3.063 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC(C)(C)[C@H](c2ccccc2)C1 ZINC001308115119 933051028 /nfs/dbraw/zinc/05/10/28/933051028.db2.gz XXSRSTDXFMWDQP-WBVHZDCISA-N 1 1 286.419 3.431 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1ccccc1CC(=O)OC ZINC001308138365 933057149 /nfs/dbraw/zinc/05/71/49/933057149.db2.gz XNPIYSAMQSHCPS-KRWDZBQOSA-N 1 1 287.403 3.333 20 30 CGEDMO CN1C[C@]23C[N@H+](CCCC(C)(C)C#N)C[C@@]2(C1)CCCC3 ZINC001308171388 933065617 /nfs/dbraw/zinc/06/56/17/933065617.db2.gz RWRJZPLWQMMLOY-HDICACEKSA-N 1 1 289.467 3.124 20 30 CGEDMO CN1C[C@]23C[N@@H+](CCCC(C)(C)C#N)C[C@@]2(C1)CCCC3 ZINC001308171388 933065620 /nfs/dbraw/zinc/06/56/20/933065620.db2.gz RWRJZPLWQMMLOY-HDICACEKSA-N 1 1 289.467 3.124 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@](C)(CC)OC ZINC001308579169 933136775 /nfs/dbraw/zinc/13/67/75/933136775.db2.gz YEPVHKMPLSVAQY-QGZVFWFLSA-N 1 1 277.408 3.498 20 30 CGEDMO C=CC[N@H+](Cc1sc(N(C)C)nc1Cl)C(C)C ZINC001308585626 933138576 /nfs/dbraw/zinc/13/85/76/933138576.db2.gz PFYSIRDBTYTTNQ-UHFFFAOYSA-N 1 1 273.833 3.259 20 30 CGEDMO C=CC[N@@H+](Cc1sc(N(C)C)nc1Cl)C(C)C ZINC001308585626 933138578 /nfs/dbraw/zinc/13/85/78/933138578.db2.gz PFYSIRDBTYTTNQ-UHFFFAOYSA-N 1 1 273.833 3.259 20 30 CGEDMO C#CC[N@H+](Cc1cnc(-c2ccncc2)s1)CC1CC1 ZINC001308604091 933141860 /nfs/dbraw/zinc/14/18/60/933141860.db2.gz SWKXOIPRKNHABD-UHFFFAOYSA-N 1 1 283.400 3.050 20 30 CGEDMO C#CC[N@H+](CC#CC)Cc1cc2cccc(CC)c2o1 ZINC001308617553 933142913 /nfs/dbraw/zinc/14/29/13/933142913.db2.gz ASBHCOAVUPBQTL-UHFFFAOYSA-N 1 1 265.356 3.454 20 30 CGEDMO C#CC[N@@H+](CC#CC)Cc1cc2cccc(CC)c2o1 ZINC001308617553 933142917 /nfs/dbraw/zinc/14/29/17/933142917.db2.gz ASBHCOAVUPBQTL-UHFFFAOYSA-N 1 1 265.356 3.454 20 30 CGEDMO C#CC[N@H+](CC1(OC)CCC1)[C@H]1CCc2ccccc21 ZINC001308634874 933146064 /nfs/dbraw/zinc/14/60/64/933146064.db2.gz OAUFIEWUHSXZLH-KRWDZBQOSA-N 1 1 269.388 3.178 20 30 CGEDMO C#CC[N@@H+](Cc1cc2cccnc2o1)Cc1ccccc1 ZINC001308755155 933171062 /nfs/dbraw/zinc/17/10/62/933171062.db2.gz OFKFCKNDWXNBSN-UHFFFAOYSA-N 1 1 276.339 3.463 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCNC(=O)[C@H](C)C1CCCC1 ZINC001316860383 933245367 /nfs/dbraw/zinc/24/53/67/933245367.db2.gz UEIPYEAWDWUXCE-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCC[N@@H+](C)CCCNC(=O)c1cccc(Cl)c1 ZINC001316862797 933261401 /nfs/dbraw/zinc/26/14/01/933261401.db2.gz VPJNGBJWVQBGQN-UHFFFAOYSA-N 1 1 294.826 3.358 20 30 CGEDMO C=C(C)C[N@@H+](C)CCCNC(=O)CCC1CCCCC1 ZINC001316863626 933280191 /nfs/dbraw/zinc/28/01/91/933280191.db2.gz JZZDTANAEJRNOB-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H](C)CC(C)(C)C ZINC001317511370 933305854 /nfs/dbraw/zinc/30/58/54/933305854.db2.gz QZUWVYYINCBTOK-JKSUJKDBSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC1(NC(=O)NCC[N@H+](C)CCCC)CCCCC1 ZINC001311929949 933324787 /nfs/dbraw/zinc/32/47/87/933324787.db2.gz QKDYENGJYBZQKA-UHFFFAOYSA-N 1 1 295.471 3.297 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C=C(C)C)C(C)(C)[C@H]21 ZINC001316719251 933475127 /nfs/dbraw/zinc/47/51/27/933475127.db2.gz LYYFQJHXGGYRFS-OIISXLGYSA-N 1 1 290.451 3.134 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)CC(C)(C)C ZINC001329387419 933475875 /nfs/dbraw/zinc/47/58/75/933475875.db2.gz XVMUYTSNSRFLFF-ZIAGYGMSSA-N 1 1 268.445 3.214 20 30 CGEDMO C=CCCCC(=O)N1CCCC[C@H]1C[N@@H+](C)CC1CC1 ZINC001316804929 933483506 /nfs/dbraw/zinc/48/35/06/933483506.db2.gz ZAMYMAVFAXIKIB-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@@H+](C)CCCNC(=O)C(C)(C)C1CCCC1 ZINC001316828831 933486217 /nfs/dbraw/zinc/48/62/17/933486217.db2.gz VZSDUQFLUSSZFN-UHFFFAOYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)[C@@H](C)c1cccs1 ZINC001316900497 933492419 /nfs/dbraw/zinc/49/24/19/933492419.db2.gz GWZPWSJUIDBZTN-AWEZNQCLSA-N 1 1 294.464 3.256 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)[C@@H]1C[C@]1(C)C(C)C)C1CC1 ZINC001316929955 933496825 /nfs/dbraw/zinc/49/68/25/933496825.db2.gz KULUOVFLOKDXDK-FUHWJXTLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC1(C(=O)N2CCC[C@@H](C[N@H+](C)CCC)C2)CCC1 ZINC001317040399 933517685 /nfs/dbraw/zinc/51/76/85/933517685.db2.gz DAHWXZJPAWDFML-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)C2(C)CCCC2)C1 ZINC001317039169 933517788 /nfs/dbraw/zinc/51/77/88/933517788.db2.gz OOYNVRUEVCCOMT-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCCC)C1 ZINC001317101975 933530775 /nfs/dbraw/zinc/53/07/75/933530775.db2.gz ZTEQYDNBFSSYGX-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](CC/C=C/CC)C1 ZINC001317139634 933541324 /nfs/dbraw/zinc/54/13/24/933541324.db2.gz PPAOHYAJMZBJHW-KXPUMZMLSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)CC1CCC1 ZINC001317170267 933544639 /nfs/dbraw/zinc/54/46/39/933544639.db2.gz XAWWGUBIEBDAAT-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C/C=C(/C)C=C ZINC001317173907 933547715 /nfs/dbraw/zinc/54/77/15/933547715.db2.gz NVHRSZZMJWGCSM-DDITZMBXSA-N 1 1 276.424 3.056 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(CC)CC)C1 ZINC001317204292 933553320 /nfs/dbraw/zinc/55/33/20/933553320.db2.gz MFLHMAILDZULBD-CVEARBPZSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CCCCCCC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](CCC)C1 ZINC001317210833 933553797 /nfs/dbraw/zinc/55/37/97/933553797.db2.gz VFOXIRZCHYKTDO-DLBZAZTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001317507548 933606070 /nfs/dbraw/zinc/60/60/70/933606070.db2.gz CFLAIOGQFKOLDW-JZXOWHBKSA-N 1 1 290.451 3.114 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001317505209 933606540 /nfs/dbraw/zinc/60/65/40/933606540.db2.gz JTXLGXRDYZIGTM-JYJNAYRXSA-N 1 1 280.456 3.193 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](CNC(=O)/C=C(/C)CC)C1 ZINC001317521114 933610915 /nfs/dbraw/zinc/61/09/15/933610915.db2.gz BHSIHAKUDDMTLQ-HICXADOFSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC(=O)NCC[N@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC001317549287 933618027 /nfs/dbraw/zinc/61/80/27/933618027.db2.gz PDADMOUIRJXXBV-HNNXBMFYSA-N 1 1 286.419 3.294 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H](C)CC)c1ccccc1 ZINC001317714268 933636029 /nfs/dbraw/zinc/63/60/29/933636029.db2.gz OTYSQIISSPXEDX-DOMZBBRYSA-N 1 1 294.826 3.232 20 30 CGEDMO C=C[C@@H](C(=O)Nc1cc[nH+]c(N(C)C)c1)c1ccccc1 ZINC001465640912 937702851 /nfs/dbraw/zinc/70/28/51/937702851.db2.gz QKIGTLBUCIBGCX-OAHLLOKOSA-N 1 1 281.359 3.056 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)c2ccsc2)C1 ZINC001317775350 933647025 /nfs/dbraw/zinc/64/70/25/933647025.db2.gz PYIKSGLKUHFURU-CQSZACIVSA-N 1 1 292.448 3.156 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@@H]1CCN(C(=O)C=C(C)C)C1 ZINC001317826581 933654700 /nfs/dbraw/zinc/65/47/00/933654700.db2.gz MMKIXFZLRKAUSF-KRWDZBQOSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@@H]1CCN(C(=O)C2(C)CC2)C1 ZINC001317840766 933657617 /nfs/dbraw/zinc/65/76/17/933657617.db2.gz UPHYEGKUCARAFN-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C/C(C)=C/CC(=O)N1CC[C@H](C[N@@H+](C)CCC(=C)C)C1 ZINC001317849496 933658721 /nfs/dbraw/zinc/65/87/21/933658721.db2.gz WGMWWRJBPQIIRV-DYFCPDHGSA-N 1 1 290.451 3.255 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H](C[N@H+](C)CC/C=C\CC)C1 ZINC001317849326 933658765 /nfs/dbraw/zinc/65/87/65/933658765.db2.gz UJFDATURGPXWAR-HLRDLLSLSA-N 1 1 292.467 3.335 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)c2sccc2C)C1 ZINC001317994287 933672304 /nfs/dbraw/zinc/67/23/04/933672304.db2.gz BALRCBFKKMLJBP-UHFFFAOYSA-N 1 1 294.464 3.441 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[C@H](CC)CCCC)C1 ZINC001318345497 933712102 /nfs/dbraw/zinc/71/21/02/933712102.db2.gz VBJZDRWPKKWJRQ-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)CCCCCC(C)C)C1 ZINC001318437486 933726105 /nfs/dbraw/zinc/72/61/05/933726105.db2.gz QRZOUSCWHWJPPC-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CC[N@H+](Cc1c(O)ccc2ccc(OC)cc21)CC1CC1 ZINC001319462713 933881460 /nfs/dbraw/zinc/88/14/60/933881460.db2.gz VOWGEFGSIMNIRY-UHFFFAOYSA-N 1 1 295.382 3.399 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001319606838 933900312 /nfs/dbraw/zinc/90/03/12/933900312.db2.gz JSOBPNYNGNYZOW-CYBMUJFWSA-N 1 1 255.365 3.318 20 30 CGEDMO C=CCN(C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)c1ccccc1 ZINC001468644501 937730119 /nfs/dbraw/zinc/73/01/19/937730119.db2.gz VFRVTBNJGXJQRB-IAGOWNOFSA-N 1 1 284.403 3.223 20 30 CGEDMO CC#CC[N@H+](C)CCC1CCN(C(=O)C(CC)CC)CC1 ZINC001319875414 933948868 /nfs/dbraw/zinc/94/88/68/933948868.db2.gz SPJOVNITGSHNQY-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CC[N@H+](C)CCC1CCN(C(=O)C(C)(C)C(C)C)CC1 ZINC001319881615 933951435 /nfs/dbraw/zinc/95/14/35/933951435.db2.gz RQOHDSZTUMPPAE-UHFFFAOYSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C[C@H](COC)[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC001320583724 934069399 /nfs/dbraw/zinc/06/93/99/934069399.db2.gz KBGGUVFWIPCEDA-CYBMUJFWSA-N 1 1 292.379 3.240 20 30 CGEDMO N#CC1(c2ccccc2)CC(N[C@@H]2CCCc3c[nH]nc32)C1 ZINC001320878038 934115446 /nfs/dbraw/zinc/11/54/46/934115446.db2.gz WBQGGSDGRWSMIT-UPTPFMHGSA-N 1 1 292.386 3.001 20 30 CGEDMO N#CC1(c2ccccc2)CC([NH2+][C@@H]2CCCc3c[nH]nc32)C1 ZINC001320878038 934115451 /nfs/dbraw/zinc/11/54/51/934115451.db2.gz WBQGGSDGRWSMIT-UPTPFMHGSA-N 1 1 292.386 3.001 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)c1ccccc1C ZINC001322110686 934245051 /nfs/dbraw/zinc/24/50/51/934245051.db2.gz OXEQTYKMOUZVLX-OAHLLOKOSA-N 1 1 274.408 3.011 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@H](C)C[N@@H+](C)CC1CC(C)(C)C1 ZINC001322223595 934261517 /nfs/dbraw/zinc/26/15/17/934261517.db2.gz LSQJZSUQXDXWNI-CABCVRRESA-N 1 1 294.483 3.461 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]1CNC(=O)C#CC(C)(C)C ZINC001323227993 934374357 /nfs/dbraw/zinc/37/43/57/934374357.db2.gz VEEXLQIYJMLEEA-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC001323731023 934421940 /nfs/dbraw/zinc/42/19/40/934421940.db2.gz WCVHOEXLVRSVCS-GDBMZVCRSA-N 1 1 261.340 3.090 20 30 CGEDMO C[C@@]1(C#N)CCC[N@H+](Cc2ccccc2N2CCCC2)C1 ZINC001323785456 934425791 /nfs/dbraw/zinc/42/57/91/934425791.db2.gz LMAWCGSSAJNSPG-SFHVURJKSA-N 1 1 283.419 3.412 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](Cc2ccccc2N2CCCC2)C1 ZINC001323785456 934425802 /nfs/dbraw/zinc/42/58/02/934425802.db2.gz LMAWCGSSAJNSPG-SFHVURJKSA-N 1 1 283.419 3.412 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC001323786159 934426238 /nfs/dbraw/zinc/42/62/38/934426238.db2.gz RUPGFMAYTTYYAN-CQSZACIVSA-N 1 1 275.323 3.349 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C)CCC)C2)C1 ZINC001323800826 934427851 /nfs/dbraw/zinc/42/78/51/934427851.db2.gz BQNGGQAXFJZKBU-WMZOPIPTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[NH+]1CC(N(C)C(=O)c2ccoc2C(C)C)C1 ZINC001324029187 934451598 /nfs/dbraw/zinc/45/15/98/934451598.db2.gz KIMSPJFWSBXWHE-UHFFFAOYSA-N 1 1 290.407 3.125 20 30 CGEDMO C=CC[C@H]([NH2+]C1CCC(C(C)C)CC1)C(=O)OCC ZINC001324624610 934534072 /nfs/dbraw/zinc/53/40/72/934534072.db2.gz IVEWOIPSAHGPDS-NRXISQOPSA-N 1 1 267.413 3.299 20 30 CGEDMO CC[N@@H+](Cc1ccccc1N1CCCC1)C[C@@H](C)C#N ZINC001324725103 934558296 /nfs/dbraw/zinc/55/82/96/934558296.db2.gz PRSDXQDSTOWOSG-HNNXBMFYSA-N 1 1 271.408 3.268 20 30 CGEDMO CC[N@H+](Cc1ccccc1N1CCCC1)C[C@@H](C)C#N ZINC001324725103 934558304 /nfs/dbraw/zinc/55/83/04/934558304.db2.gz PRSDXQDSTOWOSG-HNNXBMFYSA-N 1 1 271.408 3.268 20 30 CGEDMO CC[N@@H+](Cc1ccc([Si](C)(C)C)cc1)C[C@@H](C)C#N ZINC001473130747 937793644 /nfs/dbraw/zinc/79/36/44/937793644.db2.gz BVUJLMUJFNLFIN-AWEZNQCLSA-N 1 1 274.484 3.213 20 30 CGEDMO CC[N@H+](Cc1ccc([Si](C)(C)C)cc1)C[C@@H](C)C#N ZINC001473130747 937793645 /nfs/dbraw/zinc/79/36/45/937793645.db2.gz BVUJLMUJFNLFIN-AWEZNQCLSA-N 1 1 274.484 3.213 20 30 CGEDMO CC[C@H](C)[C@H]1CCCC[N@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001473180611 937795804 /nfs/dbraw/zinc/79/58/04/937795804.db2.gz ZAGWHTHLXHXOFZ-QGTPRVQTSA-N 1 1 286.419 3.492 20 30 CGEDMO C#CC[N@@H+](CC1CC1)[C@@H](CC)C(=O)N(C)c1ccc(C)cc1 ZINC001473289007 937800489 /nfs/dbraw/zinc/80/04/89/937800489.db2.gz ZVZZUJWADRGNNN-SFHVURJKSA-N 1 1 298.430 3.082 20 30 CGEDMO C#CC[N@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C1CC1 ZINC001325116524 934887716 /nfs/dbraw/zinc/88/77/16/934887716.db2.gz CCZMWBDIRFYOCX-UHFFFAOYSA-N 1 1 285.778 3.328 20 30 CGEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC1CCCC1)C2 ZINC001325613391 934920225 /nfs/dbraw/zinc/92/02/25/934920225.db2.gz RIFBCCBXWOKPPW-BJWYYQGGSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)C(C)(C)CCC)C[C@H]2C1 ZINC001325764030 934927716 /nfs/dbraw/zinc/92/77/16/934927716.db2.gz XSEADTVJCWLWCC-IYBDPMFKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC(CC=C)c1nc([C@@H]([NH3+])c2ccccc2)no1 ZINC001326173761 934956460 /nfs/dbraw/zinc/95/64/60/934956460.db2.gz UCOMGVQFDHBOMK-AWEZNQCLSA-N 1 1 269.348 3.354 20 30 CGEDMO C=C1CC(C)(C(=O)NCc2cccc3c2CC[N@H+](CC)C3)C1 ZINC001326675133 934998229 /nfs/dbraw/zinc/99/82/29/934998229.db2.gz OXMCUUFYKZHQEF-UHFFFAOYSA-N 1 1 298.430 3.037 20 30 CGEDMO C[N@H+](CCOC1CCCCCC1)[C@@H]1CCC[C@H]1C#N ZINC001473707465 937818169 /nfs/dbraw/zinc/81/81/69/937818169.db2.gz QWYKFPNXSGOINX-GOEBONIOSA-N 1 1 264.413 3.350 20 30 CGEDMO C[N@@H+](CCOC1CCCCCC1)[C@@H]1CCC[C@H]1C#N ZINC001473707465 937818170 /nfs/dbraw/zinc/81/81/70/937818170.db2.gz QWYKFPNXSGOINX-GOEBONIOSA-N 1 1 264.413 3.350 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC1CCC(O)CC1 ZINC001327545418 935068723 /nfs/dbraw/zinc/06/87/23/935068723.db2.gz FCTFSILHPPPIAG-FYOYPEGLSA-N 1 1 298.430 3.309 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@@H+](CC(=C)C)CC1(C)C ZINC001328103038 935117629 /nfs/dbraw/zinc/11/76/29/935117629.db2.gz QPTLOFFIPOXDBY-MAUKXSAKSA-N 1 1 292.467 3.382 20 30 CGEDMO CC(C)C#CC(=O)N[C@H]1CC[N@H+](CCCC(C)C)[C@H](C)C1 ZINC001328239976 935126767 /nfs/dbraw/zinc/12/67/67/935126767.db2.gz NQFQCFANAVXLCH-SJORKVTESA-N 1 1 292.467 3.051 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)CCCC#CC)C[C@H]1C ZINC001328268864 935127074 /nfs/dbraw/zinc/12/70/74/935127074.db2.gz VSQKBYGTTHAYLE-IAGOWNOFSA-N 1 1 290.451 3.115 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)c1csc(C)c1C ZINC001329449530 935216906 /nfs/dbraw/zinc/21/69/06/935216906.db2.gz GWAOYISLVUWNJB-LBPRGKRZSA-N 1 1 294.464 3.381 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@H](C)[N@@H+](C)CCC(C)(C)C ZINC001329515586 935221895 /nfs/dbraw/zinc/22/18/95/935221895.db2.gz OPIPAJZTFGQWSQ-LSDHHAIUSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(=C)C)C(C)(C)C1 ZINC001330222074 935277811 /nfs/dbraw/zinc/27/78/11/935277811.db2.gz NYKFQPUKOSJQAJ-OAHLLOKOSA-N 1 1 292.467 3.382 20 30 CGEDMO COc1ccc(C[C@@H](C)[N@@H+](C)Cc2ccncc2C#N)cc1 ZINC001332121351 935442052 /nfs/dbraw/zinc/44/20/52/935442052.db2.gz WWROVNSAOMDSBF-CQSZACIVSA-N 1 1 295.386 3.025 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)[C@@H]1CCC[C@H]2C[C@H]21)C(C)C ZINC001332711915 935484421 /nfs/dbraw/zinc/48/44/21/935484421.db2.gz YBCDVAPNJQEARW-GVDBMIGSSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H]1CNc1cccc(C)n1 ZINC001333008203 935504022 /nfs/dbraw/zinc/50/40/22/935504022.db2.gz ISDVDGWSLFDNQK-CYBMUJFWSA-N 1 1 265.788 3.019 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNc1cccc(C)n1 ZINC001333008203 935504026 /nfs/dbraw/zinc/50/40/26/935504026.db2.gz ISDVDGWSLFDNQK-CYBMUJFWSA-N 1 1 265.788 3.019 20 30 CGEDMO N#CC[C@@H](O)C[N@@H+]1CCCC[C@H]1c1cccc(Cl)c1 ZINC001333037342 935506261 /nfs/dbraw/zinc/50/62/61/935506261.db2.gz NDIUXSXZMPVYKV-CABCVRRESA-N 1 1 278.783 3.142 20 30 CGEDMO N#CC[C@@H](O)C[N@H+]1CCCC[C@H]1c1cccc(Cl)c1 ZINC001333037342 935506265 /nfs/dbraw/zinc/50/62/65/935506265.db2.gz NDIUXSXZMPVYKV-CABCVRRESA-N 1 1 278.783 3.142 20 30 CGEDMO O[C@@]1(c2ccccc2)CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001333732172 936060502 /nfs/dbraw/zinc/06/05/02/936060502.db2.gz AWJNQYCPIIMNHC-FQEVSTJZSA-N 1 1 291.394 3.022 20 30 CGEDMO CCN1C[C@H](C)[N@@H+](CCCCC2(C#N)CCC2)C[C@H]1C ZINC001333874262 936072395 /nfs/dbraw/zinc/07/23/95/936072395.db2.gz RJMYWUWLIHMIPJ-CVEARBPZSA-N 1 1 277.456 3.265 20 30 CGEDMO CC[N@@H+]1C[C@H](C)N(CCCCC2(C#N)CCC2)C[C@H]1C ZINC001333874262 936072400 /nfs/dbraw/zinc/07/24/00/936072400.db2.gz RJMYWUWLIHMIPJ-CVEARBPZSA-N 1 1 277.456 3.265 20 30 CGEDMO CC[N@H+]1C[C@H](C)N(CCCCC2(C#N)CCC2)C[C@H]1C ZINC001333874262 936072405 /nfs/dbraw/zinc/07/24/05/936072405.db2.gz RJMYWUWLIHMIPJ-CVEARBPZSA-N 1 1 277.456 3.265 20 30 CGEDMO C=CCC[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001336217203 936181047 /nfs/dbraw/zinc/18/10/47/936181047.db2.gz LANJAECBCBJTRM-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2cccc3ncccc23)C1 ZINC001336742682 936212732 /nfs/dbraw/zinc/21/27/32/936212732.db2.gz RNNXCJATDFGNSJ-HNNXBMFYSA-N 1 1 268.360 3.012 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1CC(=O)N(C1CC1)C1CCC(C)CC1 ZINC001473863836 937825822 /nfs/dbraw/zinc/82/58/22/937825822.db2.gz GIEVZRVWHAOMJK-PCKAHOCUSA-N 1 1 290.451 3.207 20 30 CGEDMO C#C[C@H]1CCCC[N@@H+]1Cc1c(C)cc(C#N)cc1C ZINC001473868852 937825946 /nfs/dbraw/zinc/82/59/46/937825946.db2.gz XNQAQVLYWVNXIL-INIZCTEOSA-N 1 1 252.361 3.163 20 30 CGEDMO C#C[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(F)cc1Cl ZINC001473868367 937826070 /nfs/dbraw/zinc/82/60/70/937826070.db2.gz PTUNCSMKKYYIOX-DOMZBBRYSA-N 1 1 281.758 3.000 20 30 CGEDMO C#C[C@@H]1CCCC[N@H+]1C[C@H](O)c1ccc(F)cc1Cl ZINC001473868367 937826069 /nfs/dbraw/zinc/82/60/69/937826069.db2.gz PTUNCSMKKYYIOX-DOMZBBRYSA-N 1 1 281.758 3.000 20 30 CGEDMO C#Cc1ccc(CNC[C@@H](C2CCCCC2)[NH+](C)C)cc1 ZINC001473936040 937831616 /nfs/dbraw/zinc/83/16/16/937831616.db2.gz JYGACTQNSXXXDU-IBGZPJMESA-N 1 1 284.447 3.268 20 30 CGEDMO CC(C)[C@@H](C)[N@@H+](C)Cc1cc(C#N)ccc1N(C)C ZINC001474364965 937854654 /nfs/dbraw/zinc/85/46/54/937854654.db2.gz QXDZSHHVKPMNGX-CYBMUJFWSA-N 1 1 259.397 3.101 20 30 CGEDMO C#CC[N@H+](C[C@](C)(CC)OC)[C@@H]1CCc2ccccc21 ZINC001474388103 937856675 /nfs/dbraw/zinc/85/66/75/937856675.db2.gz WTJPSHKWWRQFEP-MSOLQXFVSA-N 1 1 271.404 3.424 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](C[C@H]2CCC[C@H](CC)C2)C1 ZINC001474389369 937856870 /nfs/dbraw/zinc/85/68/70/937856870.db2.gz NSZSPLLIGRFCIT-HRCADAONSA-N 1 1 251.414 3.480 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cccc(F)c1N ZINC001474591604 937869557 /nfs/dbraw/zinc/86/95/57/937869557.db2.gz MZTROMYGEPMIJO-GFCCVEGCSA-N 1 1 283.350 3.473 20 30 CGEDMO CNc1ccc(C)cc1C[N@@H+]1Cc2ccc(C#N)cc2C1 ZINC001474601072 937869891 /nfs/dbraw/zinc/86/98/91/937869891.db2.gz GLUXKZCOQGQMMI-UHFFFAOYSA-N 1 1 277.371 3.424 20 30 CGEDMO CNc1ccc(C)cc1C[N@H+]1Cc2ccc(C#N)cc2C1 ZINC001474601072 937869893 /nfs/dbraw/zinc/86/98/93/937869893.db2.gz GLUXKZCOQGQMMI-UHFFFAOYSA-N 1 1 277.371 3.424 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(Br)nc2)C1 ZINC001474647504 937872690 /nfs/dbraw/zinc/87/26/90/937872690.db2.gz QQIRKGSMSCIZLH-LLVKDONJSA-N 1 1 281.197 3.242 20 30 CGEDMO C(#Cc1ccccc1)C[NH+]1CC(Cc2cccs2)C1 ZINC001474654941 937873087 /nfs/dbraw/zinc/87/30/87/937873087.db2.gz DUECGNHUIUKQDB-UHFFFAOYSA-N 1 1 267.397 3.274 20 30 CGEDMO Cc1ccc(C[NH2+]Cc2cc(F)c(F)cc2O)cc1C#N ZINC001474701950 937876118 /nfs/dbraw/zinc/87/61/18/937876118.db2.gz REMIHNDOTAEVRW-UHFFFAOYSA-N 1 1 288.297 3.140 20 30 CGEDMO C=CCC1(NC(=O)Nc2cc(C)[nH+]c(C)c2)CCCC1 ZINC001476273853 937887492 /nfs/dbraw/zinc/88/74/92/937887492.db2.gz AFKPSUMWYPRLCN-UHFFFAOYSA-N 1 1 273.380 3.131 20 30 CGEDMO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)CCCCCC ZINC001479260577 937918530 /nfs/dbraw/zinc/91/85/30/937918530.db2.gz WQPSIGIFBDGORL-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)CCCCCC ZINC001479260577 937918532 /nfs/dbraw/zinc/91/85/32/937918532.db2.gz WQPSIGIFBDGORL-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)CCC)[C@H]1C ZINC001479723438 937924700 /nfs/dbraw/zinc/92/47/00/937924700.db2.gz URAHNDSNHHMYPT-OAGGEKHMSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)CCC2CC2)CC(C)(C)C1 ZINC001479743377 937924841 /nfs/dbraw/zinc/92/48/41/937924841.db2.gz AOOHYEZNZOUQMS-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCCCC(=O)N1CCCC[C@H]1C[N@@H+](C)CC=C(C)C ZINC001479735146 937924978 /nfs/dbraw/zinc/92/49/78/937924978.db2.gz YBUYDTFCHSFCMC-KRWDZBQOSA-N 1 1 290.451 3.069 20 30 CGEDMO C#CCC[N@@H+](CC)CCCNC(=O)C(C)(C)CC(C)(C)C ZINC001479861425 937927245 /nfs/dbraw/zinc/92/72/45/937927245.db2.gz QXUWSZOXCKGUCM-UHFFFAOYSA-N 1 1 294.483 3.300 20 30 CGEDMO C=CC[N@@H+](CC)CCCNC(=O)c1ccc(Cl)cc1F ZINC001479848646 937927513 /nfs/dbraw/zinc/92/75/13/937927513.db2.gz BZCRQQFPYMIKBP-UHFFFAOYSA-N 1 1 298.789 3.107 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(C)(C)F)C1 ZINC001480183906 937933441 /nfs/dbraw/zinc/93/34/41/937933441.db2.gz GQQVDGWZCHYWAO-GJZGRUSLSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)C2(C)CCCC2)C1 ZINC001480256553 937935052 /nfs/dbraw/zinc/93/50/52/937935052.db2.gz DHFCEHBSKAZHLS-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC001480260405 937935137 /nfs/dbraw/zinc/93/51/37/937935137.db2.gz WYGPIKPORXPMHV-IXDOHACOSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)CC(C)=C(C)C ZINC001480325184 937936535 /nfs/dbraw/zinc/93/65/35/937936535.db2.gz RBNFWSWLZXSNHF-INIZCTEOSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)C1CCCC1 ZINC001480332977 937936844 /nfs/dbraw/zinc/93/68/44/937936844.db2.gz PFTAEBYQTYAIER-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)C(C)(C)C ZINC001480392600 937938114 /nfs/dbraw/zinc/93/81/14/937938114.db2.gz KQPCCLSEVJWOFO-SUJAAXHWSA-N 1 1 292.467 3.070 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)/C=C(/C)C2CC2)C1 ZINC001480719925 937942469 /nfs/dbraw/zinc/94/24/69/937942469.db2.gz LTULXIHFQQDGDP-MLRPBERTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)/C=C/C(C)(C)C ZINC001480819287 937944794 /nfs/dbraw/zinc/94/47/94/937944794.db2.gz TYVMGWHIYJZSOE-NKSUMMKUSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)/C=C/C(C)(C)C ZINC001480819282 937945035 /nfs/dbraw/zinc/94/50/35/937945035.db2.gz TYVMGWHIYJZSOE-AUECHBEKSA-N 1 1 278.440 3.136 20 30 CGEDMO C#CCC1(C(=O)NCC[N@H+](CC)CCCC)CCCCC1 ZINC001493065414 937946897 /nfs/dbraw/zinc/94/68/97/937946897.db2.gz ZZZNLKOHJCHQEL-UHFFFAOYSA-N 1 1 292.467 3.198 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)[C@@H]1CCCCC1(C)C ZINC001493334205 937949544 /nfs/dbraw/zinc/94/95/44/937949544.db2.gz OBZZCDXOWJCQIV-HNNXBMFYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[N@@H+](CCC1CCCC1)C1CC1 ZINC001493400975 937950039 /nfs/dbraw/zinc/95/00/39/937950039.db2.gz OLFXXBFBWWNKAS-UHFFFAOYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+](C)CC1CCN(C(=O)[C@H]2C[C@@]2(C)C(C)C)CC1 ZINC001494208785 937953869 /nfs/dbraw/zinc/95/38/69/937953869.db2.gz DSJQMUHNUUYVCV-AEFFLSMTSA-N 1 1 292.467 3.025 20 30 CGEDMO C#CC[N@H+](C)CC1CCN(C(=O)[C@](C)(CC)CCC)CC1 ZINC001494210083 937954081 /nfs/dbraw/zinc/95/40/81/937954081.db2.gz QKOPPAMBCDWTTK-GOSISDBHSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CCC[N@@H+](C/C=C/Cl)C1 ZINC001494320103 937954278 /nfs/dbraw/zinc/95/42/78/937954278.db2.gz GTNXHNDEHHKKRF-WGPYJDKQSA-N 1 1 296.842 3.088 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CCC[N@H+](C/C=C/Cl)C1 ZINC001494320103 937954279 /nfs/dbraw/zinc/95/42/79/937954279.db2.gz GTNXHNDEHHKKRF-WGPYJDKQSA-N 1 1 296.842 3.088 20 30 CGEDMO C=CCC[NH+]1CC(NC(=O)[C@H](CC)C2CCC(C)CC2)C1 ZINC001494398852 937954589 /nfs/dbraw/zinc/95/45/89/937954589.db2.gz MOMVBNBDADZVDQ-VMBOVVBDSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[NH+]1CC(NC(=O)C[C@@H](C)CCC=C(C)C)C1 ZINC001494455554 937954933 /nfs/dbraw/zinc/95/49/33/937954933.db2.gz IDBAAFLISQHCHQ-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(CCC)CCC ZINC001494667796 937955802 /nfs/dbraw/zinc/95/58/02/937955802.db2.gz STRGEZAQVFYEIX-HOTGVXAUSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H](C)CCCC)C1 ZINC001494891837 937957074 /nfs/dbraw/zinc/95/70/74/937957074.db2.gz LFBWCYNKPRPXOJ-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H](C)CCCC)C1 ZINC001494891839 937957118 /nfs/dbraw/zinc/95/71/18/937957118.db2.gz LFBWCYNKPRPXOJ-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@H+](C)CCC1CCN(C(=O)[C@@H](C)[C@@H](C)CC)CC1 ZINC001496511276 937962777 /nfs/dbraw/zinc/96/27/77/937962777.db2.gz RPMPGSNVEKRDCB-HOTGVXAUSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)C[C@H]1C=CCCC1 ZINC001496726690 937963959 /nfs/dbraw/zinc/96/39/59/937963959.db2.gz SFOVRNWUJZNNSO-INIZCTEOSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)c1c(C)cccc1C ZINC001496788013 937964238 /nfs/dbraw/zinc/96/42/38/937964238.db2.gz DZPQNUGZPUFOFQ-UHFFFAOYSA-N 1 1 288.435 3.273 20 30 CGEDMO CC#CC[N@@H+](C)C[C@H](C)NC(=O)CCCCC(C)(C)C ZINC001498297332 937968785 /nfs/dbraw/zinc/96/87/85/937968785.db2.gz VQKBJGMAIFOLOI-HNNXBMFYSA-N 1 1 280.456 3.053 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)C(C)C ZINC001498295535 937968802 /nfs/dbraw/zinc/96/88/02/937968802.db2.gz UISAOLKPYXFZIZ-HUUCEWRRSA-N 1 1 282.472 3.460 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC001499073174 937972409 /nfs/dbraw/zinc/97/24/09/937972409.db2.gz VJQTVGKUWQSHTG-HOTGVXAUSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCCCC(=O)N1CCCC[C@@]2(CC[N@H+](CCC)C2)C1 ZINC001500163238 937975962 /nfs/dbraw/zinc/97/59/62/937975962.db2.gz UGLQSWFWHVPCQJ-SFHVURJKSA-N 1 1 292.467 3.457 20 30 CGEDMO C=C(C)CCC(=O)N[C@]1(C)CC[N@@H+](CCCCCF)C1 ZINC001500225426 937976791 /nfs/dbraw/zinc/97/67/91/937976791.db2.gz JVVIWGMFBKXDRE-MRXNPFEDSA-N 1 1 284.419 3.063 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@]2(C)CCC[N@H+](CCCC)C2)C1 ZINC001500523077 937977820 /nfs/dbraw/zinc/97/78/20/937977820.db2.gz PQDJTLRKLMGXDY-KRWDZBQOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](C)C(C)C)C1 ZINC001500529522 937977904 /nfs/dbraw/zinc/97/79/04/937977904.db2.gz HJYOHTIQLIGLAX-NVXWUHKLSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)CCC ZINC001501396108 937979508 /nfs/dbraw/zinc/97/95/08/937979508.db2.gz SRRAUBNRXXBTJO-HOTGVXAUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC1(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CC)CCCC1 ZINC001501407897 937979641 /nfs/dbraw/zinc/97/96/41/937979641.db2.gz KRYWGZMCWBUCFS-HZPDHXFCSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@H+](C)CCCN(C)C(=O)c1c(C)[nH]c2ccccc21 ZINC001502351669 937982164 /nfs/dbraw/zinc/98/21/64/937982164.db2.gz FFBXWCZNJJJXSA-UHFFFAOYSA-N 1 1 299.418 3.056 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCCC)C1 ZINC001502404380 937982523 /nfs/dbraw/zinc/98/25/23/937982523.db2.gz GEEBRVMOOQAOAL-IRXDYDNUSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@H+](CC)CC1CCN(C(=O)C[C@H](C=C)CC)CC1 ZINC001505398632 937985014 /nfs/dbraw/zinc/98/50/14/937985014.db2.gz PHLRURGENQVDGQ-MRXNPFEDSA-N 1 1 292.467 3.335 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)CC1CCCC1 ZINC001505419756 937985092 /nfs/dbraw/zinc/98/50/92/937985092.db2.gz VKNXGRHKLCCMSA-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)c1ccccc1C ZINC001505419271 937985260 /nfs/dbraw/zinc/98/52/60/937985260.db2.gz MBANNOMCZVDLFW-MRXNPFEDSA-N 1 1 286.419 3.108 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)c1ccoc1 ZINC001505418746 937985346 /nfs/dbraw/zinc/98/53/46/937985346.db2.gz AXPVKFASOZNDTO-GDBMZVCRSA-N 1 1 290.407 3.171 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)C=C ZINC001505441970 937985358 /nfs/dbraw/zinc/98/53/58/937985358.db2.gz NMJHWVGKHOCJCL-CVEARBPZSA-N 1 1 292.467 3.476 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)CC(C)C ZINC001505446861 937985373 /nfs/dbraw/zinc/98/53/73/937985373.db2.gz UEPTUANSLJZEKR-OAHLLOKOSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)C/C=C/Cl ZINC001505441747 937985480 /nfs/dbraw/zinc/98/54/80/937985480.db2.gz JSOWATPKCJXMDW-RCQQVGEISA-N 1 1 298.858 3.264 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C[C@H]1CC=CCC1 ZINC001505441362 937985603 /nfs/dbraw/zinc/98/56/03/937985603.db2.gz BZSQPODIXJOBDX-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001506004230 937988714 /nfs/dbraw/zinc/98/87/14/937988714.db2.gz VVTYJKWVRJVFLP-BZUAXINKSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)c1ccc(C)o1 ZINC001506017863 937988789 /nfs/dbraw/zinc/98/87/89/937988789.db2.gz SJJPHFSDFXLPGW-DZGCQCFKSA-N 1 1 292.423 3.094 20 30 CGEDMO C#CC[N@H+](C)[C@@H](C)CNC(=O)CC(C)(C)C1CCCCC1 ZINC001506038425 937988927 /nfs/dbraw/zinc/98/89/27/937988927.db2.gz JPSHSFSHICMQAN-HNNXBMFYSA-N 1 1 292.467 3.053 20 30 CGEDMO CC#CC[N@H+](C)[C@H](C)CNC(=O)C(C)(C)CCCCC ZINC001506063251 937989274 /nfs/dbraw/zinc/98/92/74/937989274.db2.gz NUAKRMCCDGAUIH-OAHLLOKOSA-N 1 1 280.456 3.053 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)C[C@H](C)CC ZINC001506557477 937990767 /nfs/dbraw/zinc/99/07/67/937990767.db2.gz DPTROMQABJJWRM-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(C)C)C(C)(C)C1 ZINC001506739717 937991780 /nfs/dbraw/zinc/99/17/80/937991780.db2.gz IVZRXYBYDWMLGT-CQSZACIVSA-N 1 1 280.456 3.071 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)/C(C)=C/CC)C(C)(C)C1 ZINC001506734069 937991804 /nfs/dbraw/zinc/99/18/04/937991804.db2.gz QLFFMGXORYDRMU-NHXNDTTKSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)[C@@H](C)C(C)C)C(C)C ZINC001507841690 937997060 /nfs/dbraw/zinc/99/70/60/937997060.db2.gz OREFXDKJDMGPJV-HNNXBMFYSA-N 1 1 268.445 3.023 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CCCCCF)[C@@H]1C ZINC001507386638 937995814 /nfs/dbraw/zinc/99/58/14/937995814.db2.gz VJAINDSICLWNHX-HUUCEWRRSA-N 1 1 298.446 3.308 20 30 CGEDMO C#CC[N@H+](C)CCN(C(=O)[C@@H]1CCC[C@@H]1CCC)C(C)C ZINC001507812968 937996844 /nfs/dbraw/zinc/99/68/44/937996844.db2.gz JHRFBOCKJVCVKF-DLBZAZTESA-N 1 1 292.467 3.005 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)c1cc2ccccc2[nH]1)C(C)C ZINC001507863590 937997248 /nfs/dbraw/zinc/99/72/48/937997248.db2.gz XABBKVHVIDWYEM-UHFFFAOYSA-N 1 1 299.418 3.136 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)[C@H](C)C2CC2)CC1 ZINC001508199668 937998419 /nfs/dbraw/zinc/99/84/19/937998419.db2.gz IJYMDAABMKUOGE-LSDHHAIUSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCCCCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001532191577 938085204 /nfs/dbraw/zinc/08/52/04/938085204.db2.gz INECRWPUOULQER-HNNXBMFYSA-N 1 1 266.429 3.064 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CCCC[N@@H+]2C)CCCCC1 ZINC001537278994 938109045 /nfs/dbraw/zinc/10/90/45/938109045.db2.gz SHOKBDYFGDHOJD-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCCN(CC)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001539485806 938124889 /nfs/dbraw/zinc/12/48/89/938124889.db2.gz STWGUUNDNDLEKI-INIZCTEOSA-N 1 1 284.419 3.014 20 30 CGEDMO C=CC[N@@H+](C/C=C(/C)COC)Cc1ccccc1F ZINC001559495348 938227486 /nfs/dbraw/zinc/22/74/86/938227486.db2.gz CLUMRVJPCMOKKH-ZROIWOOFSA-N 1 1 263.356 3.406 20 30 CGEDMO C=CC[N@H+](C/C=C(/C)COC)Cc1ccccc1F ZINC001559495348 938227487 /nfs/dbraw/zinc/22/74/87/938227487.db2.gz CLUMRVJPCMOKKH-ZROIWOOFSA-N 1 1 263.356 3.406 20 30 CGEDMO CC[N@@H+](CCC1(C(=O)OC(C)(C)C)CCC1)C[C@H](C)C#N ZINC001559508983 938227769 /nfs/dbraw/zinc/22/77/69/938227769.db2.gz TTXXNRSAUAUIGL-CQSZACIVSA-N 1 1 294.439 3.370 20 30 CGEDMO C#CC[N@H+](Cc1ccc(F)cc1)C[C@H]1CC2(CCC2)CO1 ZINC001559513541 938228268 /nfs/dbraw/zinc/22/82/68/938228268.db2.gz BUSBAOCZQRBEAP-QGZVFWFLSA-N 1 1 287.378 3.220 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN1CCC[N@H+](C(C)C)CC1 ZINC001559522149 938228309 /nfs/dbraw/zinc/22/83/09/938228309.db2.gz YOJZCDKNRGQABZ-UHFFFAOYSA-N 1 1 285.435 3.091 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCCN(C(C)C)CC1 ZINC001559522149 938228310 /nfs/dbraw/zinc/22/83/10/938228310.db2.gz YOJZCDKNRGQABZ-UHFFFAOYSA-N 1 1 285.435 3.091 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCCN(C(C)C)CC1 ZINC001559522149 938228311 /nfs/dbraw/zinc/22/83/11/938228311.db2.gz YOJZCDKNRGQABZ-UHFFFAOYSA-N 1 1 285.435 3.091 20 30 CGEDMO CCC#C[C@H](C)[NH+]1CCN(Cc2ccccc2Cl)CC1 ZINC001559595940 938230699 /nfs/dbraw/zinc/23/06/99/938230699.db2.gz IMFHYLXTTUKNKU-HNNXBMFYSA-N 1 1 290.838 3.260 20 30 CGEDMO C[C@@H](c1ccccc1)[N@H+](CCO)Cc1ccc(F)cc1C#N ZINC001559664281 938232414 /nfs/dbraw/zinc/23/24/14/938232414.db2.gz ARXWBPXAJRJJKK-AWEZNQCLSA-N 1 1 298.361 3.253 20 30 CGEDMO C[C@@H](c1ccccc1)[N@@H+](CCO)Cc1ccc(F)cc1C#N ZINC001559664281 938232415 /nfs/dbraw/zinc/23/24/15/938232415.db2.gz ARXWBPXAJRJJKK-AWEZNQCLSA-N 1 1 298.361 3.253 20 30 CGEDMO C=C(C)CN1CC[N@@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC001559734254 938233937 /nfs/dbraw/zinc/23/39/37/938233937.db2.gz JWIXMKPRAVWJCS-KRWDZBQOSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C(C)C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CC)C1 ZINC001559734254 938233938 /nfs/dbraw/zinc/23/39/38/938233938.db2.gz JWIXMKPRAVWJCS-KRWDZBQOSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C(C)C[N@H+]1CCN(Cc2ccccc2)[C@@H](CC)C1 ZINC001559734254 938233939 /nfs/dbraw/zinc/23/39/39/938233939.db2.gz JWIXMKPRAVWJCS-KRWDZBQOSA-N 1 1 258.409 3.159 20 30 CGEDMO CCCCCCCCC[N@@H+]1C[C@H](COC)O[C@@H](C)C1 ZINC001559762775 938234785 /nfs/dbraw/zinc/23/47/85/938234785.db2.gz UEBSUXFFVUWRSI-JKSUJKDBSA-N 1 1 271.445 3.473 20 30 CGEDMO CC[N@H+]1CCCN(Cc2c(C)cc(C#N)cc2C)[C@@H](C)C1 ZINC001559897681 938238315 /nfs/dbraw/zinc/23/83/15/938238315.db2.gz VKTHCXIRBCSEFQ-INIZCTEOSA-N 1 1 285.435 3.091 20 30 CGEDMO CCN1CCC[N@H+](Cc2c(C)cc(C#N)cc2C)[C@@H](C)C1 ZINC001559897681 938238316 /nfs/dbraw/zinc/23/83/16/938238316.db2.gz VKTHCXIRBCSEFQ-INIZCTEOSA-N 1 1 285.435 3.091 20 30 CGEDMO CCN1CCC[N@@H+](Cc2c(C)cc(C#N)cc2C)[C@@H](C)C1 ZINC001559897681 938238317 /nfs/dbraw/zinc/23/83/17/938238317.db2.gz VKTHCXIRBCSEFQ-INIZCTEOSA-N 1 1 285.435 3.091 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CCCCC3)C1 ZINC001559947312 938239615 /nfs/dbraw/zinc/23/96/15/938239615.db2.gz PPKORDNZLMKLJA-HOTGVXAUSA-N 1 1 261.409 3.071 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](CCC(=O)NCC2CCCCC2)C1 ZINC001559982942 938240874 /nfs/dbraw/zinc/24/08/74/938240874.db2.gz APWIDQHLOLDBLK-KRWDZBQOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CC[N@H+](CCCn1c2ccccc2[nH]c1=O)C(C)(C)C ZINC001560005707 938241658 /nfs/dbraw/zinc/24/16/58/938241658.db2.gz NVUVBZQVZYXLQK-UHFFFAOYSA-N 1 1 287.407 3.419 20 30 CGEDMO C#CCC[N@H+](CCOC)C[C@@H]1CCCCC1(C)C ZINC001560023790 938241947 /nfs/dbraw/zinc/24/19/47/938241947.db2.gz LOTBADRIDPLMAT-HNNXBMFYSA-N 1 1 251.414 3.175 20 30 CGEDMO CCc1ccccc1CC[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC001560060710 938242817 /nfs/dbraw/zinc/24/28/17/938242817.db2.gz UFTYRDWNJGIVME-DLBZAZTESA-N 1 1 256.393 3.416 20 30 CGEDMO C=C(CC)C[N@H+]1C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C1 ZINC001560140224 938244738 /nfs/dbraw/zinc/24/47/38/938244738.db2.gz OWMHIHIYHHJRDA-ZDUSSCGKSA-N 1 1 282.428 3.188 20 30 CGEDMO C[C@H]([NH2+]CC(=O)c1ccccc1F)c1cccc(C#N)c1 ZINC001560135596 938245011 /nfs/dbraw/zinc/24/50/11/938245011.db2.gz UWBYWDJCSHOQSX-LBPRGKRZSA-N 1 1 282.318 3.231 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2[C@H](C)c2ccccc2)C1=O ZINC001560163716 938245591 /nfs/dbraw/zinc/24/55/91/938245591.db2.gz YZWWFTUKNFQNIE-NJAFHUGGSA-N 1 1 298.430 3.041 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@H](C)CCO1 ZINC001560233270 938248583 /nfs/dbraw/zinc/24/85/83/938248583.db2.gz XNGLKTNONFMAGS-HUUCEWRRSA-N 1 1 286.419 3.487 20 30 CGEDMO COc1cc(C[NH2+][C@H](C)CC#N)cc2ccccc21 ZINC001560574878 938263587 /nfs/dbraw/zinc/26/35/87/938263587.db2.gz OPJNFIPZCXINNT-GFCCVEGCSA-N 1 1 254.333 3.240 20 30 CGEDMO Cc1cc(C[NH2+]CC2(C#N)CCOCC2)ccc1Cl ZINC001560617007 938265891 /nfs/dbraw/zinc/26/58/91/938265891.db2.gz GFDJGALTXDIOLX-UHFFFAOYSA-N 1 1 278.783 3.058 20 30 CGEDMO C=CCCC(=O)N(C)CCC[N@@H+](C)Cc1cccc(F)c1 ZINC001327187673 958803912 /nfs/dbraw/zinc/80/39/12/958803912.db2.gz GUMXTBFAQRAOHI-UHFFFAOYSA-N 1 1 292.398 3.072 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001596319171 960537129 /nfs/dbraw/zinc/53/71/29/960537129.db2.gz HBTZIKNNQNTIKW-QGZVFWFLSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[C@@H](C)CC ZINC001566120002 960556404 /nfs/dbraw/zinc/55/64/04/960556404.db2.gz UJTSBFCJMXQMLG-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](N(CC)C(=O)C2CC2)C1 ZINC001567931283 960602700 /nfs/dbraw/zinc/60/27/00/960602700.db2.gz ZXCKXKRSRIODHP-INIZCTEOSA-N 1 1 280.456 3.290 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)C=C2CCC2)[C@H]1C ZINC001566084128 960879606 /nfs/dbraw/zinc/87/96/06/960879606.db2.gz ABWBVAQGEDJVED-WBVHZDCISA-N 1 1 290.451 3.422 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@@H+](CCF)CC(C)(C)C1 ZINC001566130733 960893602 /nfs/dbraw/zinc/89/36/02/960893602.db2.gz BYHXVZYVKNDFDB-RHSMWYFYSA-N 1 1 298.446 3.165 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)C[C@H](C)CC)CC1 ZINC001566608582 960966389 /nfs/dbraw/zinc/96/63/89/960966389.db2.gz XBPQBLZCFRFYSL-GFCCVEGCSA-N 1 1 286.847 3.098 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2ccoc2Cl)C1 ZINC001566619957 960969283 /nfs/dbraw/zinc/96/92/83/960969283.db2.gz CCTBGXKNFNQRLU-LBPRGKRZSA-N 1 1 296.798 3.093 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC001566658343 960979243 /nfs/dbraw/zinc/97/92/43/960979243.db2.gz UVXFYQDFGSWPIF-BBRMVZONSA-N 1 1 290.382 3.043 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)CC2(C=C)CCCCC2)C1 ZINC001566674735 960990698 /nfs/dbraw/zinc/99/06/98/960990698.db2.gz ANGDQCCHESDLQP-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@H](C[N@@H+](C)CC(C)C)C1 ZINC001566742792 961012284 /nfs/dbraw/zinc/01/22/84/961012284.db2.gz CXXNANSCBMVZRZ-SJLPKXTDSA-N 1 1 294.483 3.415 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)C[C@H](C)CCCCC)C1 ZINC001566878150 961033086 /nfs/dbraw/zinc/03/30/86/961033086.db2.gz MYCTXGLYSXPFST-IAGOWNOFSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)CCCC(C)C)C1 ZINC001566878310 961038606 /nfs/dbraw/zinc/03/86/06/961038606.db2.gz PHSSUQIMIZUSJO-MRXNPFEDSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H](C)SC ZINC001566919667 961063038 /nfs/dbraw/zinc/06/30/38/961063038.db2.gz DWEGCKXQBIHJHL-CABCVRRESA-N 1 1 298.496 3.065 20 30 CGEDMO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)C[C@@H](C)CC(C)C ZINC001566929067 961064750 /nfs/dbraw/zinc/06/47/50/961064750.db2.gz SMNFYOPFFORIPM-IRXDYDNUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001566963637 961078714 /nfs/dbraw/zinc/07/87/14/961078714.db2.gz XDDAUZLQDZZOBU-LSDHHAIUSA-N 1 1 280.456 3.071 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)C2CC(C)(C)C2)C1 ZINC001567191676 961129539 /nfs/dbraw/zinc/12/95/39/961129539.db2.gz LNFGTZXHKAKMPP-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC[C@@H]([N@@H+](C)CCC(=C)C)C1 ZINC001567196407 961136432 /nfs/dbraw/zinc/13/64/32/961136432.db2.gz KJWKEFCURVLXSD-DLBZAZTESA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)C2(C)CCC2)C1 ZINC001567195911 961139983 /nfs/dbraw/zinc/13/99/83/961139983.db2.gz DKVCLYCLYTZSLQ-HZPDHXFCSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H]1CCCNC(=O)C[C@@H]1C=CCC1 ZINC001567242994 961151874 /nfs/dbraw/zinc/15/18/74/961151874.db2.gz CYGQTGBRBJHQGN-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)C=C(CC)CC ZINC001567247501 961153618 /nfs/dbraw/zinc/15/36/18/961153618.db2.gz MCCILAKQMYPXBG-QGZVFWFLSA-N 1 1 290.451 3.117 20 30 CGEDMO C=CC[N@@H+](CC)CCNC(=O)C1CC(C)(C)CC(C)(C)C1 ZINC001567340256 961286735 /nfs/dbraw/zinc/28/67/35/961286735.db2.gz LUJIMDJNNOLJSD-UHFFFAOYSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC[N@H+](CCNC(=O)c1cccc(Cl)c1C)C1CC1 ZINC001567443177 961342079 /nfs/dbraw/zinc/34/20/79/961342079.db2.gz QRBKCXBVMKGXCN-UHFFFAOYSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CCC[N@@H+](CCC)CCNC(=O)c1ccc(C)cc1F ZINC001567434524 961343694 /nfs/dbraw/zinc/34/36/94/961343694.db2.gz DUFCPXOOHRDWII-UHFFFAOYSA-N 1 1 292.398 3.152 20 30 CGEDMO C#CCC[N@@H+](CCC)CCNC(=O)C[C@H]1CCCC[C@@H]1C ZINC001567435487 961345300 /nfs/dbraw/zinc/34/53/00/961345300.db2.gz QFWNZTUBRWUZNK-DLBZAZTESA-N 1 1 292.467 3.054 20 30 CGEDMO C#CC[N@H+](CCCNC(=O)C[C@@H](CC)C(C)(C)C)C(C)C ZINC001567651291 961376547 /nfs/dbraw/zinc/37/65/47/961376547.db2.gz IXYYIQTZLSJPEU-MRXNPFEDSA-N 1 1 294.483 3.299 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)c1ccc(CF)cc1)C(C)C ZINC001567653551 961378777 /nfs/dbraw/zinc/37/87/77/961378777.db2.gz VGJQTTRIFVDREY-UHFFFAOYSA-N 1 1 292.398 3.172 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)c1ccsc1)C(C)C ZINC001567636354 961385720 /nfs/dbraw/zinc/38/57/20/961385720.db2.gz BSODMEVJJPZUNO-UHFFFAOYSA-N 1 1 280.437 3.155 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)C[C@@H](C)CC)C1 ZINC001567698070 961401537 /nfs/dbraw/zinc/40/15/37/961401537.db2.gz KLFVHGBNVVXLBL-GXTWGEPZSA-N 1 1 286.847 3.003 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H](CCNC(=O)c2cccs2)C1 ZINC001567691207 961405509 /nfs/dbraw/zinc/40/55/09/961405509.db2.gz MFSWWWTVGRXVNY-CQSZACIVSA-N 1 1 292.448 3.156 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)/C=C(\C)C2CC2)C1 ZINC001567723951 961413524 /nfs/dbraw/zinc/41/35/24/961413524.db2.gz PPWKBBUMWQQPGR-RBFDBLARSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)C(CC)CC)C1 ZINC001567723149 961415305 /nfs/dbraw/zinc/41/53/05/961415305.db2.gz WDYXZAQUYOLXMH-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)/C=C(/C)C2CC2)C1 ZINC001567723953 961415873 /nfs/dbraw/zinc/41/58/73/961415873.db2.gz PPWKBBUMWQQPGR-UVQBRAAOSA-N 1 1 290.451 3.089 20 30 CGEDMO CC#CCCCC(=O)N[C@@H]1CC[N@@H+](C[C@H](C)CC(C)C)C1 ZINC001567895354 961455129 /nfs/dbraw/zinc/45/51/29/961455129.db2.gz SPODHMHWNSUPRW-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)C(C)=C2CCC2)C1 ZINC001567937877 961460135 /nfs/dbraw/zinc/46/01/35/961460135.db2.gz SAXKLVJKUPLNHX-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](F)CC2CCCCC2)C1 ZINC001567924966 961464208 /nfs/dbraw/zinc/46/42/08/961464208.db2.gz IHRYTPZJPSFNFN-HOTGVXAUSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCCCC)C1 ZINC001568511186 961604662 /nfs/dbraw/zinc/60/46/62/961604662.db2.gz RKYQFAFHSBOVBL-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@@H+](CC1CC1)C1CCN(C(=O)CCCF)CC1 ZINC001569451999 961767242 /nfs/dbraw/zinc/76/72/42/961767242.db2.gz NPVNQZDTNKMQAW-UHFFFAOYSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCCCC(=O)N1CC[C@]2(C1)CCC[N@H+](CC(C)C)C2 ZINC001569467394 961774482 /nfs/dbraw/zinc/77/44/82/961774482.db2.gz NPAPSAFHYRNJKU-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)C3(CC)CC3)C2)C1 ZINC001569478452 961781984 /nfs/dbraw/zinc/78/19/84/961781984.db2.gz JNSIYEVVYVVSDY-QGZVFWFLSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCC(=C)C)C2 ZINC001569622261 961803541 /nfs/dbraw/zinc/80/35/41/961803541.db2.gz OSBQHHASFCPXNA-SFHVURJKSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CC[N@@H+]1CCC[C@](C)(CNC(=O)C(C)(C)CC(C)C)C1 ZINC001569724504 961841423 /nfs/dbraw/zinc/84/14/23/961841423.db2.gz YHLDYUBRSHRKHT-GOSISDBHSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H](C)CCC)C2 ZINC001569858050 961856170 /nfs/dbraw/zinc/85/61/70/961856170.db2.gz CKGIUYHYLXLPAJ-WCXIOVBPSA-N 1 1 292.467 3.358 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H]2CCCN(C(=O)C3CC3)[C@@H]2C1 ZINC001569917198 961874640 /nfs/dbraw/zinc/87/46/40/961874640.db2.gz LASTWCFJDHRPJU-DLBZAZTESA-N 1 1 292.467 3.290 20 30 CGEDMO C=C(C)C[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)/C(C)=C\C ZINC001570268596 961941538 /nfs/dbraw/zinc/94/15/38/961941538.db2.gz FPWCNHDMSIRNKA-LQBXZKJLSA-N 1 1 298.430 3.072 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C2(CC)CCC2)C(C)(C)C1 ZINC001570395129 961955437 /nfs/dbraw/zinc/95/54/37/961955437.db2.gz CYTQGSXVRMPMNU-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@H+](CCCC)CC1(C)C ZINC001570393516 961959540 /nfs/dbraw/zinc/95/95/40/961959540.db2.gz KRLTYOINAIVSPQ-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@H+](CC)CC1CCN(C(=O)[C@@H](C)C(C)(C)C)CC1 ZINC001570501653 961981711 /nfs/dbraw/zinc/98/17/11/961981711.db2.gz RNZBTKULMBOICR-OAHLLOKOSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)/C=C(/C)C1CC1 ZINC001570525254 961990072 /nfs/dbraw/zinc/99/00/72/961990072.db2.gz BBLFQQBJLWCPPB-MLRPBERTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCCC(=O)NC[C@@H](C)[N@@H+](C)Cc1csc(C)c1 ZINC001570732529 962062541 /nfs/dbraw/zinc/06/25/41/962062541.db2.gz VPJCQWPSAPHYIA-CYBMUJFWSA-N 1 1 294.464 3.349 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@H](C)[N@@H+](C)CC1CCCC1 ZINC001570729879 962062773 /nfs/dbraw/zinc/06/27/73/962062773.db2.gz GDDDISXFISWRBF-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@H+]1CCCC2(CN(C(=O)C3CCCC3)C2)C1 ZINC001571029102 962114335 /nfs/dbraw/zinc/11/43/35/962114335.db2.gz WLHKDOMKYYSZPZ-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCCCC(=O)N1CCC([N@H+](C)CC[C@@H](C)F)CC1 ZINC001571333035 962133735 /nfs/dbraw/zinc/13/37/35/962133735.db2.gz CQMJGWFZRZVWSZ-CQSZACIVSA-N 1 1 284.419 3.014 20 30 CGEDMO C=C(C)CC[N@H+](C)C1CCN(C(=O)[C@H]2C[C@H]2C(C)C)CC1 ZINC001571335140 962137259 /nfs/dbraw/zinc/13/72/59/962137259.db2.gz XTYZGZXPHVBNCT-IRXDYDNUSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@]2(NC(=O)C(C)(C)F)CCC[C@H]12 ZINC001571494946 962164737 /nfs/dbraw/zinc/16/47/37/962164737.db2.gz KLQUTRZEAYWZLF-GRDNDAEWSA-N 1 1 296.430 3.202 20 30 CGEDMO C#CCCCCC(=O)N[C@]12CCC[C@H]1[N@@H+](CCCC)CC2 ZINC001571498934 962165865 /nfs/dbraw/zinc/16/58/65/962165865.db2.gz KTFGJYXATRBVBE-AEFFLSMTSA-N 1 1 290.451 3.093 20 30 CGEDMO C=CCCC(=O)N[C@]12CCC[C@H]1[N@@H+](CC/C=C\CC)CC2 ZINC001571497573 962173428 /nfs/dbraw/zinc/17/34/28/962173428.db2.gz SBYVRMZHILWFEW-GJYIYSHKSA-N 1 1 290.451 3.422 20 30 CGEDMO C#CCC[N@H+](C)CCN(C(=O)c1ccc(C=C)cc1)C(C)C ZINC001571614886 962185546 /nfs/dbraw/zinc/18/55/46/962185546.db2.gz XEEANUPQGDGGOP-UHFFFAOYSA-N 1 1 298.430 3.135 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)[C@]2(C)CC=CCC2)CC1 ZINC001571688150 962209071 /nfs/dbraw/zinc/20/90/71/962209071.db2.gz CPUNEZKOXPKOQZ-GOSISDBHSA-N 1 1 288.435 3.057 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)C2(CCC)CCC2)CC1 ZINC001571692770 962216521 /nfs/dbraw/zinc/21/65/21/962216521.db2.gz DENKCQSYSPODEL-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)Nc1ccccc1SC ZINC000117870803 260117363 /nfs/dbraw/zinc/11/73/63/260117363.db2.gz RJFQISSCCGKLGR-UHFFFAOYSA-N 1 1 278.421 3.245 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@H](c3ccccc3)C2)ccn1 ZINC000590118860 346828695 /nfs/dbraw/zinc/82/86/95/346828695.db2.gz RBKRYNUPEJLSJK-KRWDZBQOSA-N 1 1 277.371 3.333 20 30 CGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](CC2CC2)C1 ZINC000590202718 346836342 /nfs/dbraw/zinc/83/63/42/346836342.db2.gz MJIHNCVSHPNJPM-CZUORRHYSA-N 1 1 297.402 3.007 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@H]1C ZINC000590375350 346844545 /nfs/dbraw/zinc/84/45/45/346844545.db2.gz LYRNZELYCHKWPK-ZJUUUORDSA-N 1 1 268.282 3.417 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@H]1C ZINC000590375350 346844548 /nfs/dbraw/zinc/84/45/48/346844548.db2.gz LYRNZELYCHKWPK-ZJUUUORDSA-N 1 1 268.282 3.417 20 30 CGEDMO N#Cc1cccc(OCC[N@H+]2CCC[C@@H]2c2ccncc2)c1 ZINC000125435653 187184491 /nfs/dbraw/zinc/18/44/91/187184491.db2.gz XRRGMKFSGGIZCS-GOSISDBHSA-N 1 1 293.370 3.169 20 30 CGEDMO CC(C)C[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC000350810041 219062746 /nfs/dbraw/zinc/06/27/46/219062746.db2.gz GXKNFUYYTBEWRD-UHFFFAOYSA-N 1 1 281.197 3.409 20 30 CGEDMO Cc1cc(C[NH+]2CC(CC(F)(F)F)C2)ccc1C#N ZINC000590968714 346891668 /nfs/dbraw/zinc/89/16/68/346891668.db2.gz DHMPGPAJUDINKI-UHFFFAOYSA-N 1 1 268.282 3.251 20 30 CGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000591062256 346898276 /nfs/dbraw/zinc/89/82/76/346898276.db2.gz ZRXWONHXSRGBDD-CZUORRHYSA-N 1 1 297.402 3.007 20 30 CGEDMO C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000591056171 346897236 /nfs/dbraw/zinc/89/72/36/346897236.db2.gz FOQZFFDBYAQMDX-ZBFHGGJFSA-N 1 1 286.419 3.081 20 30 CGEDMO CC[C@@H](CSC)[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428291916 529527976 /nfs/dbraw/zinc/52/79/76/529527976.db2.gz VPMSECKZABEDPW-LBPRGKRZSA-N 1 1 266.385 3.271 20 30 CGEDMO CCC([NH3+])(CC)CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000591577701 346930158 /nfs/dbraw/zinc/93/01/58/346930158.db2.gz HQRJYXRAESWJLI-INIZCTEOSA-N 1 1 271.408 3.043 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@H]2N[C@H](C[NH3+])C1CCCC1 ZINC000591582517 346929843 /nfs/dbraw/zinc/92/98/43/346929843.db2.gz YMBPCRCTDTZLPI-QZTJIDSGSA-N 1 1 283.419 3.043 20 30 CGEDMO C[N@@H+]1CCN(Cc2cc(C#N)cs2)[C@H](c2ccccc2)C1 ZINC000155204308 529774061 /nfs/dbraw/zinc/77/40/61/529774061.db2.gz JCMDMMNBMNKWSB-KRWDZBQOSA-N 1 1 297.427 3.108 20 30 CGEDMO C[N@H+]1CCN(Cc2cc(C#N)cs2)[C@H](c2ccccc2)C1 ZINC000155204308 529774062 /nfs/dbraw/zinc/77/40/62/529774062.db2.gz JCMDMMNBMNKWSB-KRWDZBQOSA-N 1 1 297.427 3.108 20 30 CGEDMO CC[N@@H+](CCc1cccs1)Cc1ccncc1C#N ZINC000592068140 346959671 /nfs/dbraw/zinc/95/96/71/346959671.db2.gz LREBGQPJFOTTMG-UHFFFAOYSA-N 1 1 271.389 3.079 20 30 CGEDMO N#Cc1cnccc1C[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000592071021 346960105 /nfs/dbraw/zinc/96/01/05/346960105.db2.gz XPEXBEXRNFKABG-CQSZACIVSA-N 1 1 281.334 3.082 20 30 CGEDMO N#Cc1cnccc1C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000592071021 346960108 /nfs/dbraw/zinc/96/01/08/346960108.db2.gz XPEXBEXRNFKABG-CQSZACIVSA-N 1 1 281.334 3.082 20 30 CGEDMO Cc1ccc(C[C@@H]2CCC[N@H+]2Cc2ccncc2C#N)cc1 ZINC000592070860 346960653 /nfs/dbraw/zinc/96/06/53/346960653.db2.gz RQFJLVLXWRLKOO-IBGZPJMESA-N 1 1 291.398 3.469 20 30 CGEDMO N#Cc1cnccc1C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000592072813 346960735 /nfs/dbraw/zinc/96/07/35/346960735.db2.gz YUEXATCHYRFWLN-HNNXBMFYSA-N 1 1 281.334 3.082 20 30 CGEDMO N#Cc1cnccc1C[NH2+]C1(c2ccccc2)CCC1 ZINC000592074959 346961188 /nfs/dbraw/zinc/96/11/88/346961188.db2.gz SXKMRFPFZFDKHO-UHFFFAOYSA-N 1 1 263.344 3.122 20 30 CGEDMO C[N@@H+](CCC(C)(C)C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000592144247 346966991 /nfs/dbraw/zinc/96/69/91/346966991.db2.gz GIOWFCSFBVLVCZ-UHFFFAOYSA-N 1 1 298.390 3.476 20 30 CGEDMO Cc1ccccc1C(C)(C)[NH2+]Cc1ccncc1C#N ZINC000592122662 346964911 /nfs/dbraw/zinc/96/49/11/346964911.db2.gz OYHQUPNTKJWQLN-UHFFFAOYSA-N 1 1 265.360 3.287 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCCC[C@@H]2C2CCC2)ccn1 ZINC000592199429 346971303 /nfs/dbraw/zinc/97/13/03/346971303.db2.gz PEZZUUYWQIUHHG-MRXNPFEDSA-N 1 1 255.365 3.108 20 30 CGEDMO C[C@@H]1CC2(C[N@H+]1Cc1cccc(F)c1C#N)CCOCC2 ZINC000592184409 346970570 /nfs/dbraw/zinc/97/05/70/346970570.db2.gz PNJUDMFKFNOBOO-CYBMUJFWSA-N 1 1 288.366 3.088 20 30 CGEDMO C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)CC1(C#N)CC1 ZINC000347478993 529896502 /nfs/dbraw/zinc/89/65/02/529896502.db2.gz MAXUDSRLUIYTOS-UHFFFAOYSA-N 1 1 294.402 3.245 20 30 CGEDMO N#CC[C@@]1(O)CC[N@@H+](Cc2cc(-c3ccccc3)cs2)C1 ZINC000592522400 346995358 /nfs/dbraw/zinc/99/53/58/346995358.db2.gz AJPMSKZKWTVUMK-QGZVFWFLSA-N 1 1 298.411 3.266 20 30 CGEDMO CC[C@H](CC#N)[NH2+]C[C@@H](OC(C)C)c1ccccc1 ZINC000573546722 334945743 /nfs/dbraw/zinc/94/57/43/334945743.db2.gz QJEVXZXAJDWMOB-HZPDHXFCSA-N 1 1 260.381 3.435 20 30 CGEDMO C[C@H]1C[N@H+](Cc2cc(C#N)cs2)CC2(CCCC2)O1 ZINC000592531388 346997828 /nfs/dbraw/zinc/99/78/28/346997828.db2.gz KGNUJNBDDMDNCE-LBPRGKRZSA-N 1 1 276.405 3.153 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cc(C#N)cs2)CC2(CCCC2)O1 ZINC000592531388 346997830 /nfs/dbraw/zinc/99/78/30/346997830.db2.gz KGNUJNBDDMDNCE-LBPRGKRZSA-N 1 1 276.405 3.153 20 30 CGEDMO CC[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@H]1CCCOC1 ZINC000593071030 347036020 /nfs/dbraw/zinc/03/60/20/347036020.db2.gz ZKVUJFQCKPHDGK-INIZCTEOSA-N 1 1 286.419 3.489 20 30 CGEDMO COc1ccc(C[C@@H]2CCCC[N@H+]2CCCC#N)cc1 ZINC000593084831 347037714 /nfs/dbraw/zinc/03/77/14/347037714.db2.gz SJYMOHHCHJHOPE-INIZCTEOSA-N 1 1 272.392 3.396 20 30 CGEDMO C[C@@H]1CN(CC2(C#N)CC2)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000593048850 347031989 /nfs/dbraw/zinc/03/19/89/347031989.db2.gz KDBXFLXBYNYQBN-BRWVUGGUSA-N 1 1 297.446 3.273 20 30 CGEDMO C[C@H]1C[N@@H+](CCCCC#N)CCc2ccc(F)cc21 ZINC000593116350 347041552 /nfs/dbraw/zinc/04/15/52/347041552.db2.gz KRCKLSGTBDPUCN-ZDUSSCGKSA-N 1 1 260.356 3.481 20 30 CGEDMO C[N@H+](Cc1ccc(F)c(C#N)c1)Cc1ccccc1F ZINC000160524497 529986587 /nfs/dbraw/zinc/98/65/87/529986587.db2.gz DLJMZGAQKKBLQI-UHFFFAOYSA-N 1 1 272.298 3.468 20 30 CGEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)Cc1ccccc1F ZINC000160524497 529986588 /nfs/dbraw/zinc/98/65/88/529986588.db2.gz DLJMZGAQKKBLQI-UHFFFAOYSA-N 1 1 272.298 3.468 20 30 CGEDMO CC[N@@H+](CCCNC(=O)[C@@](C)(C#N)CC)C1CCCCC1 ZINC000593249059 347056728 /nfs/dbraw/zinc/05/67/28/347056728.db2.gz GCCVBLVZPXGNPN-QGZVFWFLSA-N 1 1 293.455 3.087 20 30 CGEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc2[nH]cnc2c1 ZINC000329045563 530052422 /nfs/dbraw/zinc/05/24/22/530052422.db2.gz FQRIFBZGAGLEPH-CYBMUJFWSA-N 1 1 286.379 3.415 20 30 CGEDMO C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc2nc[nH]c2c1 ZINC000329045563 530052423 /nfs/dbraw/zinc/05/24/23/530052423.db2.gz FQRIFBZGAGLEPH-CYBMUJFWSA-N 1 1 286.379 3.415 20 30 CGEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc2nc[nH]c2c1 ZINC000329045563 530052424 /nfs/dbraw/zinc/05/24/24/530052424.db2.gz FQRIFBZGAGLEPH-CYBMUJFWSA-N 1 1 286.379 3.415 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccsc1 ZINC000035206425 344942062 /nfs/dbraw/zinc/94/20/62/344942062.db2.gz BVKQGCCIIJGEQR-UHFFFAOYSA-N 1 1 299.399 3.080 20 30 CGEDMO CC[C@@H](C)[N@@H+](CC)CCC(=O)Nc1ccc(C#N)cc1 ZINC000037113065 344947707 /nfs/dbraw/zinc/94/77/07/344947707.db2.gz QAZFICCMVXZVBO-CYBMUJFWSA-N 1 1 273.380 3.007 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccccc1C#N ZINC000046526389 345041111 /nfs/dbraw/zinc/04/11/11/345041111.db2.gz QSTAJNHNEZSVNU-UHFFFAOYSA-N 1 1 261.328 3.062 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccc1C#N ZINC000046526389 345041113 /nfs/dbraw/zinc/04/11/13/345041113.db2.gz QSTAJNHNEZSVNU-UHFFFAOYSA-N 1 1 261.328 3.062 20 30 CGEDMO CCC[N@@H+](CCOC(C)C)Cc1ccc(C#N)cc1 ZINC000047739870 345055354 /nfs/dbraw/zinc/05/53/54/345055354.db2.gz ZPBHJAYZKZSDFS-UHFFFAOYSA-N 1 1 260.381 3.195 20 30 CGEDMO C[N@@H+](CCOc1cccc(F)c1)Cc1cccc(C#N)c1 ZINC000048056771 345059719 /nfs/dbraw/zinc/05/97/19/345059719.db2.gz KTYAKSVMFNKZKB-UHFFFAOYSA-N 1 1 284.334 3.208 20 30 CGEDMO C[N@@H+](CCOc1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000052710832 345107092 /nfs/dbraw/zinc/10/70/92/345107092.db2.gz DOTVOLRLEGMHSX-UHFFFAOYSA-N 1 1 284.334 3.208 20 30 CGEDMO C=C(C)CN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000056495497 345166055 /nfs/dbraw/zinc/16/60/55/345166055.db2.gz KAJNYAKGLIHCKG-UHFFFAOYSA-N 1 1 250.430 3.151 20 30 CGEDMO C=CCSc1ccccc1NC(=O)C[N@H+](CC)C1CC1 ZINC000058723458 345200225 /nfs/dbraw/zinc/20/02/25/345200225.db2.gz GJTTXRAQLPDSLD-UHFFFAOYSA-N 1 1 290.432 3.388 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@H+](C)CC(C)C)c1C ZINC000065962100 345281692 /nfs/dbraw/zinc/28/16/92/345281692.db2.gz HAQIYHVLBWQILT-UHFFFAOYSA-N 1 1 262.397 3.061 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)C[C@@H](C)c1ccccc1 ZINC000066854153 345308929 /nfs/dbraw/zinc/30/89/29/345308929.db2.gz ZYQSWYRHNTYPMR-MRXNPFEDSA-N 1 1 288.435 3.147 20 30 CGEDMO C[C@H](CC#N)[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000068609335 345356793 /nfs/dbraw/zinc/35/67/93/345356793.db2.gz TYMHYBWIEQAEEU-SNVBAGLBSA-N 1 1 272.270 3.019 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)CCn1nc(C)cc1C ZINC000068815703 345365113 /nfs/dbraw/zinc/36/51/13/345365113.db2.gz SYAIIUZIICWIRZ-UHFFFAOYSA-N 1 1 283.419 3.231 20 30 CGEDMO CC[N@@H+](C)Cc1cccc(CNc2ccc(C#N)cn2)c1 ZINC000067710851 345329521 /nfs/dbraw/zinc/32/95/21/345329521.db2.gz LWDAMGMNTZUPIW-UHFFFAOYSA-N 1 1 280.375 3.017 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1cc(Br)cs1 ZINC000070600216 345392437 /nfs/dbraw/zinc/39/24/37/345392437.db2.gz ZWZOYFFIEMTMAZ-UHFFFAOYSA-N 1 1 266.591 3.353 20 30 CGEDMO CC[C@H]1C[C@@H](C)C[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000075022264 345491003 /nfs/dbraw/zinc/49/10/03/345491003.db2.gz BKSILEXXOPUPIT-HIFRSBDPSA-N 1 1 288.391 3.066 20 30 CGEDMO CC(C)[C@@H]1CCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075648312 345517330 /nfs/dbraw/zinc/51/73/30/345517330.db2.gz KTUKJZMGLYRVNP-HNNXBMFYSA-N 1 1 296.374 3.229 20 30 CGEDMO N#CCC[N@H+](CCOC1CCCCCC1)CC1CC1 ZINC000081043514 345697712 /nfs/dbraw/zinc/69/77/12/345697712.db2.gz ONDDQRSPUJQLIQ-UHFFFAOYSA-N 1 1 264.413 3.351 20 30 CGEDMO N#CCC[N@@H+](CCOC1CCCCCC1)CC1CC1 ZINC000081043514 345697715 /nfs/dbraw/zinc/69/77/15/345697715.db2.gz ONDDQRSPUJQLIQ-UHFFFAOYSA-N 1 1 264.413 3.351 20 30 CGEDMO C[C@@H](CCNc1cnccc1C#N)[N@@H+](C)Cc1ccccc1 ZINC000091731042 345821886 /nfs/dbraw/zinc/82/18/86/345821886.db2.gz IENQIBYTOFQVEP-HNNXBMFYSA-N 1 1 294.402 3.276 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CC[C@H](C)C1 ZINC000092902997 345861939 /nfs/dbraw/zinc/86/19/39/345861939.db2.gz AKOCDTLKFWJJRS-YOEHRIQHSA-N 1 1 272.392 3.195 20 30 CGEDMO COC1CCC([N@@H+](C)Cc2cc(C#N)cs2)CC1 ZINC000093415159 345878745 /nfs/dbraw/zinc/87/87/45/345878745.db2.gz FGMQCRFGBISWOD-UHFFFAOYSA-N 1 1 264.394 3.009 20 30 CGEDMO C=C[C@@H](C)[NH2+][C@H](C)c1ncc(Br)s1 ZINC000126661029 346026210 /nfs/dbraw/zinc/02/62/10/346026210.db2.gz NNXSPCLMLATKRL-RNFRBKRXSA-N 1 1 261.188 3.131 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)[C@@H]1CCCN(C(C)C)C1=O ZINC000192526341 346268158 /nfs/dbraw/zinc/26/81/58/346268158.db2.gz GEKYVWRWARXJBQ-OAHLLOKOSA-N 1 1 292.448 3.136 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)[C@@H]1CCCN(C(C)C)C1=O ZINC000192526341 346268160 /nfs/dbraw/zinc/26/81/60/346268160.db2.gz GEKYVWRWARXJBQ-OAHLLOKOSA-N 1 1 292.448 3.136 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCC[C@H]1CC(=O)OC ZINC000234537778 346331404 /nfs/dbraw/zinc/33/14/04/346331404.db2.gz USAKPCJEQMUNCM-AWEZNQCLSA-N 1 1 253.386 3.150 20 30 CGEDMO CC[C@@H](C#N)C(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2 ZINC000593545008 347091219 /nfs/dbraw/zinc/09/12/19/347091219.db2.gz YPIMYWLKIILHOL-ZDUSSCGKSA-N 1 1 285.391 3.146 20 30 CGEDMO C=C1CC[NH+]([C@H](C)c2cc(C(=O)OC)c(C)o2)CC1 ZINC000292724776 346429359 /nfs/dbraw/zinc/42/93/59/346429359.db2.gz UUTHSDDRIDRYTI-LLVKDONJSA-N 1 1 263.337 3.088 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)c(F)c1 ZINC000311942527 346475480 /nfs/dbraw/zinc/47/54/80/346475480.db2.gz KSLUYYUESQCIGY-LLVKDONJSA-N 1 1 272.245 3.082 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)c(F)c1 ZINC000311942527 346475482 /nfs/dbraw/zinc/47/54/82/346475482.db2.gz KSLUYYUESQCIGY-LLVKDONJSA-N 1 1 272.245 3.082 20 30 CGEDMO C=CCOc1cccc(C[NH2+]CC2(C#N)CCCC2)c1 ZINC000593649948 347099220 /nfs/dbraw/zinc/09/92/20/347099220.db2.gz NKCNXJHTCWEBEO-UHFFFAOYSA-N 1 1 270.376 3.425 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000319366263 346487936 /nfs/dbraw/zinc/48/79/36/346487936.db2.gz HSKSBTWYGWSCHV-IPMKNSEASA-N 1 1 298.430 3.382 20 30 CGEDMO N#CC1(C[NH2+]Cc2c[nH]nc2-c2ccccc2)CCCC1 ZINC000593649460 347099113 /nfs/dbraw/zinc/09/91/13/347099113.db2.gz HIVHQDRXBOULEP-UHFFFAOYSA-N 1 1 280.375 3.250 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)CCc2ccccc21 ZINC000593678205 347102584 /nfs/dbraw/zinc/10/25/84/347102584.db2.gz BFPLDOMGGVTHHK-CYBMUJFWSA-N 1 1 266.344 3.313 20 30 CGEDMO N#CC1(C[NH2+]Cc2scnc2C2CC2)CCCC1 ZINC000593654417 347100388 /nfs/dbraw/zinc/10/03/88/347100388.db2.gz CDHRZHVLWXBETP-UHFFFAOYSA-N 1 1 261.394 3.194 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000397687369 346584172 /nfs/dbraw/zinc/58/41/72/346584172.db2.gz VVGNDIOIOUXVQF-NSHDSACASA-N 1 1 250.292 3.090 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000397687369 346584176 /nfs/dbraw/zinc/58/41/76/346584176.db2.gz VVGNDIOIOUXVQF-NSHDSACASA-N 1 1 250.292 3.090 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](CCCOc2ccccc2)C1 ZINC000397823603 346585349 /nfs/dbraw/zinc/58/53/49/346585349.db2.gz LNHTWBIRHBFTJY-HNNXBMFYSA-N 1 1 258.365 3.081 20 30 CGEDMO CC[N@@H+](CCCCC(C)(C)C#N)[C@H]1CCCOC1 ZINC000402852613 346595968 /nfs/dbraw/zinc/59/59/68/346595968.db2.gz UABXUTGPTYFLIJ-AWEZNQCLSA-N 1 1 252.402 3.207 20 30 CGEDMO C=CCC[N@@H+]([C@H](Cc1ccccc1)C(=O)OCC)C1CC1 ZINC000533520965 346649005 /nfs/dbraw/zinc/64/90/05/346649005.db2.gz LKJIAKWBIHHFIJ-QGZVFWFLSA-N 1 1 287.403 3.201 20 30 CGEDMO C=CCC[N@H+]([C@H](Cc1ccccc1)C(=O)OCC)C1CC1 ZINC000533520965 346649006 /nfs/dbraw/zinc/64/90/06/346649006.db2.gz LKJIAKWBIHHFIJ-QGZVFWFLSA-N 1 1 287.403 3.201 20 30 CGEDMO C#CC[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000490852786 346627449 /nfs/dbraw/zinc/62/74/49/346627449.db2.gz NOZPMMGYNQGQDE-GFCCVEGCSA-N 1 1 256.374 3.109 20 30 CGEDMO N#CC1(C[NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000589176036 346787018 /nfs/dbraw/zinc/78/70/18/346787018.db2.gz AHXVDFJCURAPOA-CYBMUJFWSA-N 1 1 291.192 3.330 20 30 CGEDMO C[N@@H+](CCN[C@H]1CCc2ccc(C#N)cc21)C1CCCCC1 ZINC000589336681 346794107 /nfs/dbraw/zinc/79/41/07/346794107.db2.gz DDIGNXADXLCCER-IBGZPJMESA-N 1 1 297.446 3.400 20 30 CGEDMO CN(CC[NH2+][C@H]1CCc2ccc(C#N)cc21)C1CCCCC1 ZINC000589336681 346794109 /nfs/dbraw/zinc/79/41/09/346794109.db2.gz DDIGNXADXLCCER-IBGZPJMESA-N 1 1 297.446 3.400 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](CC2Cc3ccccc3C2)C1 ZINC000589511578 346799028 /nfs/dbraw/zinc/79/90/28/346799028.db2.gz VZFFXRFRWJILGN-KRWDZBQOSA-N 1 1 254.377 3.027 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cn1)C(C)(C)c1ccccc1 ZINC000593986138 347130417 /nfs/dbraw/zinc/13/04/17/347130417.db2.gz WHAUVPUINBGDNA-UHFFFAOYSA-N 1 1 265.360 3.320 20 30 CGEDMO N#Cc1cnc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c(Cl)c1 ZINC000594604027 347200978 /nfs/dbraw/zinc/20/09/78/347200978.db2.gz WQHCRHMWDFFTEP-KBPBESRZSA-N 1 1 290.798 3.035 20 30 CGEDMO Cc1nn(-c2ccccc2F)cc1C[NH2+]CC1(C#N)CCC1 ZINC000594606722 347202142 /nfs/dbraw/zinc/20/21/42/347202142.db2.gz OFGNDJIXZZJZKG-UHFFFAOYSA-N 1 1 298.365 3.103 20 30 CGEDMO CC[C@H](C)[N@H+](C)CCNCc1ccc(C(C)(C)C#N)cc1 ZINC000594501836 347179984 /nfs/dbraw/zinc/17/99/84/347179984.db2.gz DAHVWJNSBUZZDQ-HNNXBMFYSA-N 1 1 287.451 3.308 20 30 CGEDMO CC[C@H](C)[N@@H+](C)CCNCc1ccc(C(C)(C)C#N)cc1 ZINC000594501836 347179986 /nfs/dbraw/zinc/17/99/86/347179986.db2.gz DAHVWJNSBUZZDQ-HNNXBMFYSA-N 1 1 287.451 3.308 20 30 CGEDMO C[C@H]1C[C@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)c2nccn21 ZINC000594508733 347182376 /nfs/dbraw/zinc/18/23/76/347182376.db2.gz VLABGYGTTUKRGE-BBRMVZONSA-N 1 1 294.402 3.480 20 30 CGEDMO COc1cccnc1C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594507686 347182413 /nfs/dbraw/zinc/18/24/13/347182413.db2.gz PFCRDNLDSGVJEX-UHFFFAOYSA-N 1 1 295.386 3.181 20 30 CGEDMO C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)CCN1C ZINC000594514120 347184607 /nfs/dbraw/zinc/18/46/07/347184607.db2.gz PKQNLZVNQAGDJR-YOEHRIQHSA-N 1 1 285.435 3.060 20 30 CGEDMO C[C@H]1C[C@@H](NCc2ccc(C(C)(C)C#N)cc2)CC[N@@H+]1C ZINC000594514120 347184610 /nfs/dbraw/zinc/18/46/10/347184610.db2.gz PKQNLZVNQAGDJR-YOEHRIQHSA-N 1 1 285.435 3.060 20 30 CGEDMO C[C@H]1C[C@@H](NCc2ccc(C(C)(C)C#N)cc2)CC[N@H+]1C ZINC000594514120 347184611 /nfs/dbraw/zinc/18/46/11/347184611.db2.gz PKQNLZVNQAGDJR-YOEHRIQHSA-N 1 1 285.435 3.060 20 30 CGEDMO Cc1cc([C@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)nn1C ZINC000594518271 347187593 /nfs/dbraw/zinc/18/75/93/347187593.db2.gz NYBQJIQMPZWCPX-AWEZNQCLSA-N 1 1 294.402 3.330 20 30 CGEDMO CC[C@H](C)[N@H+](C)CCNCc1ccc(C2(C#N)CC2)cc1 ZINC000594928420 347231422 /nfs/dbraw/zinc/23/14/22/347231422.db2.gz VUZGKOIODSDORJ-HNNXBMFYSA-N 1 1 285.435 3.062 20 30 CGEDMO CC[C@H](C)[N@@H+](C)CCNCc1ccc(C2(C#N)CC2)cc1 ZINC000594928420 347231427 /nfs/dbraw/zinc/23/14/27/347231427.db2.gz VUZGKOIODSDORJ-HNNXBMFYSA-N 1 1 285.435 3.062 20 30 CGEDMO CO[C@H](C[N@@H+](Cc1ccc(C#N)cc1)C1CC1)C1CCC1 ZINC000595297021 347288045 /nfs/dbraw/zinc/28/80/45/347288045.db2.gz OXMWGQWHWLVZDM-GOSISDBHSA-N 1 1 284.403 3.338 20 30 CGEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000595297617 347288680 /nfs/dbraw/zinc/28/86/80/347288680.db2.gz XMVXGKKENXUBAB-BCDXTJNWSA-N 1 1 284.403 3.053 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCC[C@H]3CCC[C@H]32)cc1 ZINC000595327581 347292424 /nfs/dbraw/zinc/29/24/24/347292424.db2.gz PXODWQWLBXASAE-IAGOWNOFSA-N 1 1 254.377 3.365 20 30 CGEDMO N#C[C@H](c1ccccc1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000595388458 347297878 /nfs/dbraw/zinc/29/78/78/347297878.db2.gz WBYXBJZSDVGISK-QXAKKESOSA-N 1 1 295.430 3.200 20 30 CGEDMO C[C@H](N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc(C#N)c1 ZINC000595057231 347272848 /nfs/dbraw/zinc/27/28/48/347272848.db2.gz VOLXKKMDVWCSJD-BBRMVZONSA-N 1 1 271.408 3.082 20 30 CGEDMO C[C@H](N[C@H]1CC[N@H+](C(C)(C)C)C1)c1cccc(C#N)c1 ZINC000595057231 347272853 /nfs/dbraw/zinc/27/28/53/347272853.db2.gz VOLXKKMDVWCSJD-BBRMVZONSA-N 1 1 271.408 3.082 20 30 CGEDMO Cc1ccc2c(c1)C[N@H+](CCCC1(C#N)CCOCC1)CC2 ZINC000595656559 347334333 /nfs/dbraw/zinc/33/43/33/347334333.db2.gz BXKUEANETCAUSA-UHFFFAOYSA-N 1 1 298.430 3.454 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc(C(=O)OCC)cn2)C1 ZINC000595660151 347334347 /nfs/dbraw/zinc/33/43/47/347334347.db2.gz RGQAYGUBDOWKMX-CQSZACIVSA-N 1 1 288.391 3.046 20 30 CGEDMO C[C@H](CO)[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000595679802 347336322 /nfs/dbraw/zinc/33/63/22/347336322.db2.gz YKWIRYKBGPMZOB-WBMJQRKESA-N 1 1 292.810 3.195 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](CCF)C2)c1F ZINC000595755046 347350639 /nfs/dbraw/zinc/35/06/39/347350639.db2.gz FJSVTDQZJMSLCU-LBPRGKRZSA-N 1 1 264.319 3.269 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](CCF)C2)c(F)c1 ZINC000595755076 347350742 /nfs/dbraw/zinc/35/07/42/347350742.db2.gz FXYLWJAPHPJPLU-GFCCVEGCSA-N 1 1 264.319 3.269 20 30 CGEDMO C=CC[N@H+](CC[S@@](=O)c1ccccc1)C(C)(C)C ZINC000595762821 347352678 /nfs/dbraw/zinc/35/26/78/347352678.db2.gz HGGJGCODGKVLHG-GOSISDBHSA-N 1 1 265.422 3.081 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595779532 347355197 /nfs/dbraw/zinc/35/51/97/347355197.db2.gz BTTPAHMPLUWRJD-HZSPNIEDSA-N 1 1 258.365 3.119 20 30 CGEDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595467514 347307951 /nfs/dbraw/zinc/30/79/51/347307951.db2.gz HMWQNLSZNTYWHX-FZMZJTMJSA-N 1 1 282.309 3.373 20 30 CGEDMO C[C@@H]1COC2(CCCC2)C[N@H+]1Cc1ccc(CC#N)cc1 ZINC000595806773 347357561 /nfs/dbraw/zinc/35/75/61/347357561.db2.gz GDMLMBBOYKTGAK-OAHLLOKOSA-N 1 1 284.403 3.286 20 30 CGEDMO CO[C@@H](C[N@H+]1Cc2ccc(C#N)cc2C1)C1CCCC1 ZINC000595563393 347319763 /nfs/dbraw/zinc/31/97/63/347319763.db2.gz USYFSBWQKSFIGZ-KRWDZBQOSA-N 1 1 270.376 3.079 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](CCOc2cccc3ccccc32)C1 ZINC000595838574 347364448 /nfs/dbraw/zinc/36/44/48/347364448.db2.gz BUYGHCWQNRZSKD-SFHVURJKSA-N 1 1 280.371 3.454 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](CCOc2cccc3ccccc32)C1 ZINC000595838574 347364451 /nfs/dbraw/zinc/36/44/51/347364451.db2.gz BUYGHCWQNRZSKD-SFHVURJKSA-N 1 1 280.371 3.454 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn2ccccc2c1C#N ZINC000595841897 347365435 /nfs/dbraw/zinc/36/54/35/347365435.db2.gz PGQWDZSOHMZQQO-IYBDPMFKSA-N 1 1 277.371 3.494 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C(=O)OC)cc1F ZINC000595844172 347366537 /nfs/dbraw/zinc/36/65/37/347366537.db2.gz BLTCYVJNTSULDI-GASCZTMLSA-N 1 1 289.350 3.295 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C(=O)OC)oc1C ZINC000595844915 347367495 /nfs/dbraw/zinc/36/74/95/347367495.db2.gz HNWHOUJOFNKTSW-OKILXGFUSA-N 1 1 275.348 3.058 20 30 CGEDMO CC[N@@H+](CCOc1ccccc1OC)[C@H]1CC[C@H](C#N)C1 ZINC000595884551 347370198 /nfs/dbraw/zinc/37/01/98/347370198.db2.gz HVABWGMSQQNBOV-GJZGRUSLSA-N 1 1 288.391 3.088 20 30 CGEDMO CC(C)[C@](C)(CN)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000595892414 347371077 /nfs/dbraw/zinc/37/10/77/347371077.db2.gz QOCLPRAQNXEVEV-AWEZNQCLSA-N 1 1 299.340 3.040 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](C)C[C@H]1CC1(C)C ZINC000595911819 347371867 /nfs/dbraw/zinc/37/18/67/347371867.db2.gz ZBTKNQYAWBBDBF-CQSZACIVSA-N 1 1 258.365 3.045 20 30 CGEDMO C=CCCSCCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000596649743 347498546 /nfs/dbraw/zinc/49/85/46/347498546.db2.gz GNHNKLJXSHJQHC-GJZGRUSLSA-N 1 1 262.422 3.030 20 30 CGEDMO C=CCCSCCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000596649745 347498735 /nfs/dbraw/zinc/49/87/35/347498735.db2.gz GNHNKLJXSHJQHC-LSDHHAIUSA-N 1 1 262.422 3.030 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000597174756 347544328 /nfs/dbraw/zinc/54/43/28/347544328.db2.gz URHDGQQJMUWNRV-CYBMUJFWSA-N 1 1 298.415 3.331 20 30 CGEDMO C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@H]1CCSC1 ZINC000596980278 347523879 /nfs/dbraw/zinc/52/38/79/347523879.db2.gz YTOJXRYGPFVXHK-HNNXBMFYSA-N 1 1 272.417 3.179 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000597177964 347545086 /nfs/dbraw/zinc/54/50/86/347545086.db2.gz SPIRTLRYRNLTLV-AWEZNQCLSA-N 1 1 298.365 3.137 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000597177964 347545089 /nfs/dbraw/zinc/54/50/89/347545089.db2.gz SPIRTLRYRNLTLV-AWEZNQCLSA-N 1 1 298.365 3.137 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@H]4COCC[C@@H]43)cc2)CC1 ZINC000597025742 347528638 /nfs/dbraw/zinc/52/86/38/347528638.db2.gz CFYPEBSCFUBUJJ-WMZOPIPTSA-N 1 1 296.414 3.243 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)[C@H]1C ZINC000597026471 347528881 /nfs/dbraw/zinc/52/88/81/347528881.db2.gz INRHHFSHMILWGM-KGLIPLIRSA-N 1 1 254.377 3.472 20 30 CGEDMO CC[C@]1(C)COCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597089090 347535625 /nfs/dbraw/zinc/53/56/25/347535625.db2.gz UBVBNCYIDBQDDE-QGZVFWFLSA-N 1 1 284.403 3.243 20 30 CGEDMO C[C@H]1COC(C)(C)C[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597112704 347536403 /nfs/dbraw/zinc/53/64/03/347536403.db2.gz IAUZKFDYDWCFCX-AWEZNQCLSA-N 1 1 284.403 3.241 20 30 CGEDMO CC(C)C[C@H](CO)[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597131939 347538085 /nfs/dbraw/zinc/53/80/85/347538085.db2.gz YWOYVZHXOWKIRA-QGZVFWFLSA-N 1 1 286.419 3.081 20 30 CGEDMO CCO[C@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@@H]1C ZINC000597138307 347539627 /nfs/dbraw/zinc/53/96/27/347539627.db2.gz PKZZGANCSRZYCA-YJBOKZPZSA-N 1 1 298.430 3.489 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3CCOC[C@@H]3C3CCC3)cc2)CC1 ZINC000597154523 347541484 /nfs/dbraw/zinc/54/14/84/347541484.db2.gz ABBZOZRNHVTADJ-GOSISDBHSA-N 1 1 296.414 3.243 20 30 CGEDMO COc1cc(C[NH+]2CC(CC#N)C2)cc2ccccc21 ZINC000597203901 347554445 /nfs/dbraw/zinc/55/44/45/347554445.db2.gz QLJIJYQFIWQZJS-UHFFFAOYSA-N 1 1 266.344 3.194 20 30 CGEDMO Cc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)cc2cccnc12 ZINC000597232435 347560179 /nfs/dbraw/zinc/56/01/79/347560179.db2.gz UIPCGGJRWQYKNU-KRWDZBQOSA-N 1 1 265.360 3.279 20 30 CGEDMO Cc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)cc2cccnc12 ZINC000597232435 347560183 /nfs/dbraw/zinc/56/01/83/347560183.db2.gz UIPCGGJRWQYKNU-KRWDZBQOSA-N 1 1 265.360 3.279 20 30 CGEDMO N#CCC1C[NH+](Cc2ccccc2OC2CCCC2)C1 ZINC000597193970 347549006 /nfs/dbraw/zinc/54/90/06/347549006.db2.gz LNFIJCGAFVUSHV-UHFFFAOYSA-N 1 1 270.376 3.353 20 30 CGEDMO C[N@H+]1CC[C@H](NC2(c3cccc(C#N)c3)CC2)CC1(C)C ZINC000598971528 347702468 /nfs/dbraw/zinc/70/24/68/347702468.db2.gz VIRIUEDKIGIRHG-INIZCTEOSA-N 1 1 283.419 3.010 20 30 CGEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)CC(C)(C)C#N ZINC000598586282 347666830 /nfs/dbraw/zinc/66/68/30/347666830.db2.gz DPRVZOVCYQFOBZ-QGZVFWFLSA-N 1 1 299.418 3.069 20 30 CGEDMO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598585516 347666863 /nfs/dbraw/zinc/66/68/63/347666863.db2.gz FPNOBYJIGVHAEG-WCQYABFASA-N 1 1 296.361 3.258 20 30 CGEDMO CC[C@H]1c2ccsc2CC[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598585830 347666875 /nfs/dbraw/zinc/66/68/75/347666875.db2.gz KZOQUCIZYLWTKE-JSGCOSHPSA-N 1 1 292.448 3.358 20 30 CGEDMO CC(C)[N@H+](Cc1cccc(F)c1)C[C@@H](O)CC(C)(C)C#N ZINC000598587361 347666947 /nfs/dbraw/zinc/66/69/47/347666947.db2.gz RFIGFVZMZIYHBF-INIZCTEOSA-N 1 1 292.398 3.337 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000598585233 347667023 /nfs/dbraw/zinc/66/70/23/347667023.db2.gz AKWGJHKNLKBIAQ-JKSUJKDBSA-N 1 1 290.382 3.263 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@@H+](C1CC1)C1CCCCC1 ZINC000598586024 347667077 /nfs/dbraw/zinc/66/70/77/347667077.db2.gz NHFIUOXLCRZOFH-HNNXBMFYSA-N 1 1 264.413 3.084 20 30 CGEDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598592443 347667406 /nfs/dbraw/zinc/66/74/06/347667406.db2.gz ISDIREUEFFAOEO-HYVNUMGLSA-N 1 1 286.419 3.165 20 30 CGEDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598591388 347667558 /nfs/dbraw/zinc/66/75/58/347667558.db2.gz ASAIIECICIAMQI-ZNMIVQPWSA-N 1 1 266.429 3.188 20 30 CGEDMO C/C(=C\c1ccccc1)C[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598612047 347671189 /nfs/dbraw/zinc/67/11/89/347671189.db2.gz YHIUHLPOBUHQIF-OBHPCNEJSA-N 1 1 286.419 3.322 20 30 CGEDMO CC(C)C[C@]1(C)CCC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598618875 347671331 /nfs/dbraw/zinc/67/13/31/347671331.db2.gz SEKLXNXUJXVFOL-HOCLYGCPSA-N 1 1 266.429 3.188 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCc2c(O)cccc2C1 ZINC000599646357 347761807 /nfs/dbraw/zinc/76/18/07/347761807.db2.gz INQOSVUFOFNDPT-ZDUSSCGKSA-N 1 1 278.355 3.383 20 30 CGEDMO CCC(O)(CC)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000599674012 347764347 /nfs/dbraw/zinc/76/43/47/347764347.db2.gz XZEYCQKGGAUISY-ZDUSSCGKSA-N 1 1 260.381 3.102 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1cccc2n[nH]cc21 ZINC000600116859 347781974 /nfs/dbraw/zinc/78/19/74/347781974.db2.gz FHFNUQPYHMOPNH-UHFFFAOYSA-N 1 1 270.380 3.325 20 30 CGEDMO Cc1ccc(C[N@H+](C)[C@H]2CCCc3c2cnn3C)cc1C#N ZINC000599340767 347737054 /nfs/dbraw/zinc/73/70/54/347737054.db2.gz PPVIHXVSEZJROH-KRWDZBQOSA-N 1 1 294.402 3.110 20 30 CGEDMO Cc1cccc(C[N@@H+](C)Cc2ccc(C)c(C#N)c2)n1 ZINC000599332166 347737155 /nfs/dbraw/zinc/73/71/55/347737155.db2.gz LEDCHILDKXMLEG-UHFFFAOYSA-N 1 1 265.360 3.202 20 30 CGEDMO Cc1ccc(C[N@H+]2CC3(CCC3)OC[C@H]2C)cc1C#N ZINC000599465373 347746769 /nfs/dbraw/zinc/74/67/69/347746769.db2.gz HCNYKFIBYYCZSP-CQSZACIVSA-N 1 1 270.376 3.010 20 30 CGEDMO Cc1ccc(C[N@@H+]2CC3(CCC3)OC[C@H]2C)cc1C#N ZINC000599465373 347746770 /nfs/dbraw/zinc/74/67/70/347746770.db2.gz HCNYKFIBYYCZSP-CQSZACIVSA-N 1 1 270.376 3.010 20 30 CGEDMO C[C@H](C[N@@H+](C)CCOCCC#N)C1CCCCC1 ZINC000599632969 347760985 /nfs/dbraw/zinc/76/09/85/347760985.db2.gz HYTLPDCOEYAOES-CQSZACIVSA-N 1 1 252.402 3.065 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCCC2(CCCCC2)C1 ZINC000600744682 347831353 /nfs/dbraw/zinc/83/13/53/347831353.db2.gz APMZSXNSARAIGL-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO COc1cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)ccc1C#N ZINC000600190482 347791766 /nfs/dbraw/zinc/79/17/66/347791766.db2.gz QGWZMHASUWQGEJ-CABCVRRESA-N 1 1 288.416 3.037 20 30 CGEDMO Cc1ccc(-c2cccc(C[NH+]3CCOCC3)c2)c(C#N)c1 ZINC000600775587 347833894 /nfs/dbraw/zinc/83/38/94/347833894.db2.gz JXCXSADGJXXQSB-UHFFFAOYSA-N 1 1 292.382 3.366 20 30 CGEDMO COc1cccc2c1CC[C@@H]2[NH2+]Cc1cccc(F)c1C#N ZINC000602009787 347932562 /nfs/dbraw/zinc/93/25/62/347932562.db2.gz AYTGGXSAIXNMQK-KRWDZBQOSA-N 1 1 296.345 3.483 20 30 CGEDMO C[C@@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(C#N)c(F)c1 ZINC000602020488 347933868 /nfs/dbraw/zinc/93/38/68/347933868.db2.gz KKQXMHGARSBKDB-DOMZBBRYSA-N 1 1 289.398 3.126 20 30 CGEDMO CC[N@@H+](C[C@H](C)CCC#N)C[C@@H]1COc2ccccc2O1 ZINC000602433971 347957288 /nfs/dbraw/zinc/95/72/88/347957288.db2.gz NBLWVUNAEOQBRJ-HUUCEWRRSA-N 1 1 288.391 3.088 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000602443804 347959185 /nfs/dbraw/zinc/95/91/85/347959185.db2.gz WAHSEIOUUQAPNW-RDJZCZTQSA-N 1 1 256.393 3.491 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)n1 ZINC000602441976 347959330 /nfs/dbraw/zinc/95/93/30/347959330.db2.gz HKUDEUFYKJILDD-INIZCTEOSA-N 1 1 277.371 3.018 20 30 CGEDMO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602458855 347961429 /nfs/dbraw/zinc/96/14/29/347961429.db2.gz QMTKTTFZKWFAKI-QGZVFWFLSA-N 1 1 293.370 3.299 20 30 CGEDMO COc1ccccc1[C@H]1CCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602458855 347961430 /nfs/dbraw/zinc/96/14/30/347961430.db2.gz QMTKTTFZKWFAKI-QGZVFWFLSA-N 1 1 293.370 3.299 20 30 CGEDMO C[C@H](CCC#N)C[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000602468419 347962908 /nfs/dbraw/zinc/96/29/08/347962908.db2.gz NSIDBUZXWCRQGZ-IEBWSBKVSA-N 1 1 299.462 3.380 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000602468419 347962911 /nfs/dbraw/zinc/96/29/11/347962911.db2.gz NSIDBUZXWCRQGZ-IEBWSBKVSA-N 1 1 299.462 3.380 20 30 CGEDMO N#CCC[N@H+](Cc1cccc2ncccc12)CC1CC1 ZINC000602465240 347963011 /nfs/dbraw/zinc/96/30/11/347963011.db2.gz LYCCOYSMFGBRAC-UHFFFAOYSA-N 1 1 265.360 3.360 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000602475537 347964708 /nfs/dbraw/zinc/96/47/08/347964708.db2.gz KSXUJGRDBDKTBS-INMHGKMJSA-N 1 1 272.392 3.388 20 30 CGEDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602475485 347965235 /nfs/dbraw/zinc/96/52/35/347965235.db2.gz BVEVMGNYRNRXDO-BBRMVZONSA-N 1 1 257.381 3.354 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)n1 ZINC000602477934 347965265 /nfs/dbraw/zinc/96/52/65/347965265.db2.gz UTEMQPMPWLUKSU-GOSISDBHSA-N 1 1 292.386 3.030 20 30 CGEDMO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1cccc(C#N)n1 ZINC000602478103 347966366 /nfs/dbraw/zinc/96/63/66/347966366.db2.gz WJHDLLJCZXDQCB-KBXCAEBGSA-N 1 1 277.371 3.331 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000602483560 347966841 /nfs/dbraw/zinc/96/68/41/347966841.db2.gz MPSAMWGGNFVFOR-LAPQFRIASA-N 1 1 292.448 3.357 20 30 CGEDMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2cccc(C#N)n2)C1 ZINC000602485906 347968006 /nfs/dbraw/zinc/96/80/06/347968006.db2.gz RRNWOACYVCEZGF-CABCVRRESA-N 1 1 275.421 3.059 20 30 CGEDMO C[C@@H](CCC#N)C[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC000602523291 347976148 /nfs/dbraw/zinc/97/61/48/347976148.db2.gz AGPFUCVDRFEXGA-PKOBYXMFSA-N 1 1 299.462 3.428 20 30 CGEDMO COc1cc2c(cc1F)C[N@@H+](C[C@@H](C)CCC#N)CC2 ZINC000602584713 347988628 /nfs/dbraw/zinc/98/86/28/347988628.db2.gz JIMHJSNAYZLHRG-LBPRGKRZSA-N 1 1 276.355 3.132 20 30 CGEDMO C[C@H](C#N)CN[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602607471 347993020 /nfs/dbraw/zinc/99/30/20/347993020.db2.gz LBCGKHVMNNVYRB-HFTRVMKXSA-N 1 1 283.419 3.104 20 30 CGEDMO COc1c(C)cnc(C[N@@H+](C)C[C@@H](C)CCC#N)c1C ZINC000602607478 347993171 /nfs/dbraw/zinc/99/31/71/347993171.db2.gz LDDQJHQIUOXAEZ-LBPRGKRZSA-N 1 1 275.396 3.079 20 30 CGEDMO COCC[C@H]1CCCC[N@@H+](C[C@@H](C)CCC#N)C1 ZINC000602611267 347993478 /nfs/dbraw/zinc/99/34/78/347993478.db2.gz KXUBWJGULASHME-LSDHHAIUSA-N 1 1 252.402 3.065 20 30 CGEDMO Cn1cccc1[C@H]1CCCC[N@H+]1CC1(CC#N)CC1 ZINC000602785863 348028453 /nfs/dbraw/zinc/02/84/53/348028453.db2.gz WIFMPBHYPGWJDA-OAHLLOKOSA-N 1 1 257.381 3.246 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](CCN(C)C)Cc1cccc(F)c1 ZINC000602655229 348002016 /nfs/dbraw/zinc/00/20/16/348002016.db2.gz GEGZUMSVZOZGBL-HNNXBMFYSA-N 1 1 291.414 3.129 20 30 CGEDMO C[C@@H](CCC#N)CN(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000602655229 348002018 /nfs/dbraw/zinc/00/20/18/348002018.db2.gz GEGZUMSVZOZGBL-HNNXBMFYSA-N 1 1 291.414 3.129 20 30 CGEDMO N#Cc1cccc(C[N@@H+](Cc2ccc(O)cc2)CC2CC2)n1 ZINC000602654360 348002184 /nfs/dbraw/zinc/00/21/84/348002184.db2.gz ALLFOLBQAKIYKU-UHFFFAOYSA-N 1 1 293.370 3.071 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000602670232 348004908 /nfs/dbraw/zinc/00/49/08/348004908.db2.gz NKLGGFFNNLKTJX-NVXWUHKLSA-N 1 1 283.419 3.063 20 30 CGEDMO CC(C)[C@@H]1[N@@H+](C[C@@H](C)CCC#N)CC12CCOCC2 ZINC000602691872 348009884 /nfs/dbraw/zinc/00/98/84/348009884.db2.gz UYAYGGKPLZKWJV-GJZGRUSLSA-N 1 1 264.413 3.063 20 30 CGEDMO CC[C@](C)(C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1)OC ZINC000602691176 348009911 /nfs/dbraw/zinc/00/99/11/348009911.db2.gz DGWKCGIPYMKBPG-XJKSGUPXSA-N 1 1 260.381 3.366 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1cc[nH]c(=O)c1 ZINC000602768460 348025406 /nfs/dbraw/zinc/02/54/06/348025406.db2.gz JAGNKBTVODYHOA-UHFFFAOYSA-N 1 1 281.359 3.069 20 30 CGEDMO COc1ccccc1C[N@@H+](CC1(CC#N)CC1)C1CC1 ZINC000602768126 348025768 /nfs/dbraw/zinc/02/57/68/348025768.db2.gz WEPJCPVRBTWDNR-UHFFFAOYSA-N 1 1 270.376 3.353 20 30 CGEDMO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)CC1(CC#N)CC1 ZINC000602794712 348030316 /nfs/dbraw/zinc/03/03/16/348030316.db2.gz JHPRDQUSAWUZRP-BBRMVZONSA-N 1 1 270.376 3.004 20 30 CGEDMO C[C@@H]1C[N@H+](CCC2CCCCCC2)C[C@H](C)N1CC#N ZINC000602849200 348036147 /nfs/dbraw/zinc/03/61/47/348036147.db2.gz JSFQDFNTPLDCQQ-IYBDPMFKSA-N 1 1 277.456 3.265 20 30 CGEDMO C[C@H]1C[N@@H+](CC2(CC#N)CC2)CC2(CCCCC2)O1 ZINC000602873412 348039133 /nfs/dbraw/zinc/03/91/33/348039133.db2.gz NSTYQKNCCDYYKK-AWEZNQCLSA-N 1 1 262.397 3.104 20 30 CGEDMO COc1cccc(SCC[N@H+](C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000602982487 348052130 /nfs/dbraw/zinc/05/21/30/348052130.db2.gz TWDCMBYSMBSNMG-CZUORRHYSA-N 1 1 290.432 3.411 20 30 CGEDMO COc1cccc(SCC[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000602982487 348052133 /nfs/dbraw/zinc/05/21/33/348052133.db2.gz TWDCMBYSMBSNMG-CZUORRHYSA-N 1 1 290.432 3.411 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000602997591 348053550 /nfs/dbraw/zinc/05/35/50/348053550.db2.gz NHXKQODKTFICDU-PMPSAXMXSA-N 1 1 278.440 3.332 20 30 CGEDMO N#CC1(CC[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)CCCCC1 ZINC000602997376 348053825 /nfs/dbraw/zinc/05/38/25/348053825.db2.gz IRGRXVWEWXBDGK-ULQDDVLXSA-N 1 1 290.451 3.476 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[NH2+][C@@H]1CCCn2nccc21 ZINC000603028307 348054625 /nfs/dbraw/zinc/05/46/25/348054625.db2.gz DAOVXGWSAWPACC-CQSZACIVSA-N 1 1 286.766 3.033 20 30 CGEDMO CC(C)[N@@H+](C)CC1CCN(c2ccc(C#N)cc2)CC1 ZINC000603871654 348100850 /nfs/dbraw/zinc/10/08/50/348100850.db2.gz YZPWVHAACZTHGS-UHFFFAOYSA-N 1 1 271.408 3.115 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000605150832 348148666 /nfs/dbraw/zinc/14/86/66/348148666.db2.gz LOTCTIGVIBXIML-HNNXBMFYSA-N 1 1 292.810 3.343 20 30 CGEDMO C=CCCCCC[N@H+](C)CC(=O)NCc1ccccc1C ZINC000606902268 348206568 /nfs/dbraw/zinc/20/65/68/348206568.db2.gz OEQHIHHXQUQLSM-UHFFFAOYSA-N 1 1 288.435 3.289 20 30 CGEDMO N#CCCCC[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000609233736 348340138 /nfs/dbraw/zinc/34/01/38/348340138.db2.gz IEUJKKNQGDHGAN-INIZCTEOSA-N 1 1 258.365 3.144 20 30 CGEDMO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1ccnc(C#N)c1)CCC2 ZINC000610994525 348416077 /nfs/dbraw/zinc/41/60/77/348416077.db2.gz GNJFFZARQOXQKQ-OAHLLOKOSA-N 1 1 298.415 3.228 20 30 CGEDMO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccnc(C#N)c1)CCC2 ZINC000610994525 348416079 /nfs/dbraw/zinc/41/60/79/348416079.db2.gz GNJFFZARQOXQKQ-OAHLLOKOSA-N 1 1 298.415 3.228 20 30 CGEDMO CC[C@](C)([NH2+]Cc1ccnc(C#N)c1)c1nc(C)cs1 ZINC000610994374 348416295 /nfs/dbraw/zinc/41/62/95/348416295.db2.gz BKJKBEADZYQBGD-HNNXBMFYSA-N 1 1 286.404 3.133 20 30 CGEDMO CC(C)C[C@H]1CCCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610995134 348417216 /nfs/dbraw/zinc/41/72/16/348417216.db2.gz NXEYKSINSWNOST-MRXNPFEDSA-N 1 1 257.381 3.354 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CCc2ccc(O)cc2CC1 ZINC000610728743 348399442 /nfs/dbraw/zinc/39/94/42/348399442.db2.gz CBVOFKYUOAJBHV-UHFFFAOYSA-N 1 1 296.345 3.004 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000610728743 348399444 /nfs/dbraw/zinc/39/94/44/348399444.db2.gz CBVOFKYUOAJBHV-UHFFFAOYSA-N 1 1 296.345 3.004 20 30 CGEDMO C=C(CC)C[N@@H+]1CCC[C@H](CCC(=O)OCC)C1 ZINC000611347755 348440107 /nfs/dbraw/zinc/44/01/07/348440107.db2.gz JJHLNZNZUYTRBK-CQSZACIVSA-N 1 1 253.386 3.008 20 30 CGEDMO C=CC[N@H+](Cc1cc(OC)c(OCC)c(OC)c1)C1CC1 ZINC000273367920 192128096 /nfs/dbraw/zinc/12/80/96/192128096.db2.gz DOMYUEJXILGXBX-UHFFFAOYSA-N 1 1 291.391 3.253 20 30 CGEDMO Cc1nc(C[NH2+][C@H](C)c2cccc(C#N)c2)sc1C ZINC000611387356 348443501 /nfs/dbraw/zinc/44/35/01/348443501.db2.gz MABNWTAGPIOWSH-LLVKDONJSA-N 1 1 271.389 3.482 20 30 CGEDMO CCC[N@@H+]1CC[C@@H](CN[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391532 348444505 /nfs/dbraw/zinc/44/45/05/348444505.db2.gz MZYBNJJLHSKAQM-LPHOPBHVSA-N 1 1 297.446 3.257 20 30 CGEDMO CCC[N@H+]1CC[C@@H](CN[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391532 348444510 /nfs/dbraw/zinc/44/45/10/348444510.db2.gz MZYBNJJLHSKAQM-LPHOPBHVSA-N 1 1 297.446 3.257 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000611390595 348444671 /nfs/dbraw/zinc/44/46/71/348444671.db2.gz KBPPQOGYFXDXMA-GBESFXJTSA-N 1 1 295.430 3.152 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCN2CCCC[C@H]12 ZINC000611390595 348444674 /nfs/dbraw/zinc/44/46/74/348444674.db2.gz KBPPQOGYFXDXMA-GBESFXJTSA-N 1 1 295.430 3.152 20 30 CGEDMO N#CCCn1cc(C[N@@H+]2CC=CCC2)c(-c2ccccc2)n1 ZINC000611521223 348458157 /nfs/dbraw/zinc/45/81/57/348458157.db2.gz WYHBONRXPMDXST-UHFFFAOYSA-N 1 1 292.386 3.226 20 30 CGEDMO N#CCCCN[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000611937974 348481688 /nfs/dbraw/zinc/48/16/88/348481688.db2.gz DEWAUXPNCUEDFP-KRWDZBQOSA-N 1 1 271.408 3.107 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](CCCOCCc2ccccc2)C1 ZINC000612162542 348498449 /nfs/dbraw/zinc/49/84/49/348498449.db2.gz HYRSTBCJLHSJES-SFHVURJKSA-N 1 1 286.419 3.261 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000612162108 348498521 /nfs/dbraw/zinc/49/85/21/348498521.db2.gz KHTGGAZTQKREGK-JKSUJKDBSA-N 1 1 258.340 3.439 20 30 CGEDMO C[C@]1(C#N)CCC[N@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000612162108 348498523 /nfs/dbraw/zinc/49/85/23/348498523.db2.gz KHTGGAZTQKREGK-JKSUJKDBSA-N 1 1 258.340 3.439 20 30 CGEDMO COc1ccc(OCCC[N@@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612165033 348498928 /nfs/dbraw/zinc/49/89/28/348498928.db2.gz HYGBZMHMFFQBFZ-QGZVFWFLSA-N 1 1 288.391 3.090 20 30 CGEDMO COc1ccc(OCCC[N@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612165033 348498930 /nfs/dbraw/zinc/49/89/30/348498930.db2.gz HYGBZMHMFFQBFZ-QGZVFWFLSA-N 1 1 288.391 3.090 20 30 CGEDMO CC(C)(C)OC(=O)CCCC[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612166873 348499389 /nfs/dbraw/zinc/49/93/89/348499389.db2.gz XSBTWVJAYLCEEV-MRXNPFEDSA-N 1 1 280.412 3.124 20 30 CGEDMO C[C@@]1(C#N)CCC[N@H+](Cc2nccc3ccccc32)C1 ZINC000612406809 348517663 /nfs/dbraw/zinc/51/76/63/348517663.db2.gz UNGPYTDYPBBVKK-KRWDZBQOSA-N 1 1 265.360 3.360 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](Cc2nccc3ccccc32)C1 ZINC000612406809 348517664 /nfs/dbraw/zinc/51/76/64/348517664.db2.gz UNGPYTDYPBBVKK-KRWDZBQOSA-N 1 1 265.360 3.360 20 30 CGEDMO CC(C)(C#N)C[NH2+]C/C=C/c1ccc(F)cc1F ZINC000612587902 348531669 /nfs/dbraw/zinc/53/16/69/348531669.db2.gz AWFYKAMXQJLDCV-ONEGZZNKSA-N 1 1 250.292 3.117 20 30 CGEDMO CC(C)(C)c1ccc(C#N)c(N[C@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000613412157 348598512 /nfs/dbraw/zinc/59/85/12/348598512.db2.gz PZXCHXLEWQIHRF-GJZGRUSLSA-N 1 1 298.434 3.289 20 30 CGEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1nc(C(C)(C)C)ccc1C#N ZINC000613429514 348601747 /nfs/dbraw/zinc/60/17/47/348601747.db2.gz MFOLMHMUCNKADS-DOMZBBRYSA-N 1 1 298.434 3.145 20 30 CGEDMO C[C@H](Nc1nc(C(C)(C)C)ccc1C#N)C1=CC[N@@H+](C)CC1 ZINC000613429292 348601795 /nfs/dbraw/zinc/60/17/95/348601795.db2.gz PRDMGAMTXFRVSH-ZDUSSCGKSA-N 1 1 298.434 3.313 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@@H+](C[C@H]2CCOC2)C2CC2)cc1 ZINC000614159859 348653686 /nfs/dbraw/zinc/65/36/86/348653686.db2.gz STHVCKKKVVGYAJ-MRXNPFEDSA-N 1 1 298.430 3.489 20 30 CGEDMO C[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000614247865 348662398 /nfs/dbraw/zinc/66/23/98/348662398.db2.gz MIGCHBHKLLXBLL-DOTOQJQBSA-N 1 1 256.393 3.491 20 30 CGEDMO CC[N@H+](Cc1ccc(C#N)cc1Cl)C[C@H]1CCOC1 ZINC000615223961 348725119 /nfs/dbraw/zinc/72/51/19/348725119.db2.gz JDLBAZHHDHIHNR-CYBMUJFWSA-N 1 1 278.783 3.070 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@H](CO)c1ccccc1 ZINC000614397409 348673206 /nfs/dbraw/zinc/67/32/06/348673206.db2.gz RMFGJXYABCIGGZ-GOSISDBHSA-N 1 1 280.371 3.032 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+](C)CCN(C)c1ccccc1 ZINC000614398177 348673268 /nfs/dbraw/zinc/67/32/68/348673268.db2.gz LOAGPYIQJIJBQN-UHFFFAOYSA-N 1 1 293.414 3.435 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)CCCC1 ZINC000617004528 348896929 /nfs/dbraw/zinc/89/69/29/348896929.db2.gz SLTJCAQARPGDOG-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CCCC1 ZINC000617005112 348897337 /nfs/dbraw/zinc/89/73/37/348897337.db2.gz CRVBEZPRYJFCPU-CQSZACIVSA-N 1 1 278.440 3.112 20 30 CGEDMO CC(C)[C@H]1CN(Cc2ccc(C(C)(C)C#N)cc2)CC[N@H+]1C ZINC000617065725 348911437 /nfs/dbraw/zinc/91/14/37/348911437.db2.gz IIQBZFZYIGLIOR-GOSISDBHSA-N 1 1 299.462 3.260 20 30 CGEDMO CC(C)[C@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)CCN1C ZINC000617065725 348911441 /nfs/dbraw/zinc/91/14/41/348911441.db2.gz IIQBZFZYIGLIOR-GOSISDBHSA-N 1 1 299.462 3.260 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CCN1C ZINC000617065725 348911444 /nfs/dbraw/zinc/91/14/44/348911444.db2.gz IIQBZFZYIGLIOR-GOSISDBHSA-N 1 1 299.462 3.260 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000618666140 349136813 /nfs/dbraw/zinc/13/68/13/349136813.db2.gz WBAYRZUYIKVPTA-YOEHRIQHSA-N 1 1 278.440 3.112 20 30 CGEDMO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000618742120 349152251 /nfs/dbraw/zinc/15/22/51/349152251.db2.gz QCWANWQZYHWCAF-INIZCTEOSA-N 1 1 288.354 3.212 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000618767518 349153515 /nfs/dbraw/zinc/15/35/15/349153515.db2.gz DNNMMANEHKOANC-LLVKDONJSA-N 1 1 287.319 3.277 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000618767518 349153519 /nfs/dbraw/zinc/15/35/19/349153519.db2.gz DNNMMANEHKOANC-LLVKDONJSA-N 1 1 287.319 3.277 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000618887710 349175489 /nfs/dbraw/zinc/17/54/89/349175489.db2.gz FLNFDYFQVWSCQT-JKIFEVAISA-N 1 1 272.392 3.250 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC000620301674 349352797 /nfs/dbraw/zinc/35/27/97/349352797.db2.gz IQNPMPMLIAPEMP-KFWWJZLASA-N 1 1 287.407 3.106 20 30 CGEDMO C=CCCC(C)(C)NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC000620864576 349432563 /nfs/dbraw/zinc/43/25/63/349432563.db2.gz IEQZANZOKJJMKV-CYBMUJFWSA-N 1 1 277.412 3.258 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000271210745 191004205 /nfs/dbraw/zinc/00/42/05/191004205.db2.gz YIEPJRYMIAETRY-UHFFFAOYSA-N 1 1 295.448 3.268 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C)C1 ZINC000625699631 350197409 /nfs/dbraw/zinc/19/74/09/350197409.db2.gz BJBDEVHRCDFEHK-CYBMUJFWSA-N 1 1 292.810 3.485 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2nc(Cc3ccccc3C)no2)C1 ZINC000625699575 350197787 /nfs/dbraw/zinc/19/77/87/350197787.db2.gz AQZYUPVEEDXRFL-HNNXBMFYSA-N 1 1 297.402 3.367 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000625700564 350198689 /nfs/dbraw/zinc/19/86/89/350198689.db2.gz KLQLVTLDAAHOJP-HNNXBMFYSA-N 1 1 257.377 3.062 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2nc(-c3ccccc3F)no2)C1 ZINC000625701471 350198980 /nfs/dbraw/zinc/19/89/80/350198980.db2.gz KDJWRCOJKUNRBT-LBPRGKRZSA-N 1 1 287.338 3.274 20 30 CGEDMO C=CCC1([NH2+]Cc2noc(C3CCC3)n2)CCCC1 ZINC000625539675 350183251 /nfs/dbraw/zinc/18/32/51/350183251.db2.gz CUJCVOIHUYCHJC-UHFFFAOYSA-N 1 1 261.369 3.316 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[NH+](C2CC2)C2CC2)c1C ZINC000625836499 350218027 /nfs/dbraw/zinc/21/80/27/350218027.db2.gz AEYPUUFVSKPDCN-UHFFFAOYSA-N 1 1 272.392 3.100 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000625705202 350200756 /nfs/dbraw/zinc/20/07/56/350200756.db2.gz YOPFKKPKMDMMFZ-QAPCUYQASA-N 1 1 298.430 3.078 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2nc(-c3cccc(C)c3)no2)C1 ZINC000625704014 350200833 /nfs/dbraw/zinc/20/08/33/350200833.db2.gz RAZWLSGBEWTYQP-CQSZACIVSA-N 1 1 283.375 3.443 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000625994659 350243333 /nfs/dbraw/zinc/24/33/33/350243333.db2.gz DUUOMCBQBLLUPD-AWEZNQCLSA-N 1 1 261.369 3.066 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000626008561 350245992 /nfs/dbraw/zinc/24/59/92/350245992.db2.gz ZDBZXIITJSRNHC-AWEZNQCLSA-N 1 1 285.309 3.001 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000626008561 350245994 /nfs/dbraw/zinc/24/59/94/350245994.db2.gz ZDBZXIITJSRNHC-AWEZNQCLSA-N 1 1 285.309 3.001 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(OC)c(OC2CC2)c1 ZINC000628247341 350464562 /nfs/dbraw/zinc/46/45/62/350464562.db2.gz XAVXEALEMNWHIT-UHFFFAOYSA-N 1 1 261.365 3.244 20 30 CGEDMO C=CC(C)(C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC000628311912 350493482 /nfs/dbraw/zinc/49/34/82/350493482.db2.gz FYMSOVBQJKJNDS-CYBMUJFWSA-N 1 1 277.412 3.115 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(OCCOC)cc2)C1 ZINC000628404989 350528857 /nfs/dbraw/zinc/52/88/57/350528857.db2.gz ASCWLEUFBQKKHF-HNNXBMFYSA-N 1 1 275.392 3.110 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000628404964 350528959 /nfs/dbraw/zinc/52/89/59/350528959.db2.gz AEGRMEWFOKVSJC-JSGCOSHPSA-N 1 1 278.421 3.393 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000628406677 350529286 /nfs/dbraw/zinc/52/92/86/350529286.db2.gz OJVGSNHCWJZSNB-LBPRGKRZSA-N 1 1 262.422 3.420 20 30 CGEDMO C=CCCC1(CNC(=O)C[N@H+](C)C2CCC2)CCCC1 ZINC000630016309 350797900 /nfs/dbraw/zinc/79/79/00/350797900.db2.gz JVUNZPXVHPQPKZ-UHFFFAOYSA-N 1 1 278.440 3.114 20 30 CGEDMO CCC[N@@H+](Cc1ccc(CO)o1)Cc1ccc(C#N)cc1 ZINC000119264930 370659944 /nfs/dbraw/zinc/65/99/44/370659944.db2.gz YOBLYYLADMMOQJ-UHFFFAOYSA-N 1 1 284.359 3.056 20 30 CGEDMO COCC[C@@H]1CCCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000368654625 234330506 /nfs/dbraw/zinc/33/05/06/234330506.db2.gz ATMFBFGGUJSLCF-AWEZNQCLSA-N 1 1 290.382 3.336 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCc1nccs1 ZINC000157996742 188351776 /nfs/dbraw/zinc/35/17/76/188351776.db2.gz JJOISTZWGZYAEC-LBPRGKRZSA-N 1 1 271.389 3.250 20 30 CGEDMO N#CC1(CC[N@H+]2CCC[C@@H]3COCC[C@H]32)CCCCC1 ZINC000335180043 283045616 /nfs/dbraw/zinc/04/56/16/283045616.db2.gz HZYKSRGPCFWHBI-HZPDHXFCSA-N 1 1 276.424 3.351 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC=C(c3ccc(O)cc3)CC2)C1 ZINC000334736584 283058027 /nfs/dbraw/zinc/05/80/27/283058027.db2.gz MFPIVEUYTRFJEC-CZUORRHYSA-N 1 1 268.360 3.174 20 30 CGEDMO N#CCc1ccc(C[N@@H+]2CCC[C@@H]2CN2CCCCC2)cc1 ZINC000343548887 283055347 /nfs/dbraw/zinc/05/53/47/283055347.db2.gz IYSXBPSZJMSIHF-LJQANCHMSA-N 1 1 297.446 3.203 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCC[C@@H]2CN2CCCCC2)cc1 ZINC000343548887 283055350 /nfs/dbraw/zinc/05/53/50/283055350.db2.gz IYSXBPSZJMSIHF-LJQANCHMSA-N 1 1 297.446 3.203 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)s1 ZINC000369596581 283140283 /nfs/dbraw/zinc/14/02/83/283140283.db2.gz JLQDILJOKMZIEU-OAGGEKHMSA-N 1 1 290.432 3.135 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCc3sccc3C2)cc1 ZINC000019475336 283143125 /nfs/dbraw/zinc/14/31/25/283143125.db2.gz NAHBXQXCBLMVQN-UHFFFAOYSA-N 1 1 254.358 3.178 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCc3sccc3C2)cc1 ZINC000019475336 283143129 /nfs/dbraw/zinc/14/31/29/283143129.db2.gz NAHBXQXCBLMVQN-UHFFFAOYSA-N 1 1 254.358 3.178 20 30 CGEDMO C#CCC[N@H+](C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273520275 192183910 /nfs/dbraw/zinc/18/39/10/192183910.db2.gz PWDTUXHDJYJDPX-HZPDHXFCSA-N 1 1 261.340 3.001 20 30 CGEDMO Cc1c(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cnn1C ZINC000123667003 138368986 /nfs/dbraw/zinc/36/89/86/138368986.db2.gz WSANPKITRVRSRD-UHFFFAOYSA-N 1 1 282.391 3.011 20 30 CGEDMO N#Cc1csc(C[NH2+][C@@H]2CCCc3sccc32)n1 ZINC000336007049 283247651 /nfs/dbraw/zinc/24/76/51/283247651.db2.gz JSYMPZRAHQVMDI-LLVKDONJSA-N 1 1 275.402 3.243 20 30 CGEDMO COCc1ccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)o1 ZINC000425365556 236238882 /nfs/dbraw/zinc/23/88/82/236238882.db2.gz LQLJJPWFZTXLAS-CYBMUJFWSA-N 1 1 284.359 3.491 20 30 CGEDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428360992 236397773 /nfs/dbraw/zinc/39/77/73/236397773.db2.gz CZENGUSBHDMTSN-CYBMUJFWSA-N 1 1 298.361 3.466 20 30 CGEDMO C[C@@H]1[N@@H+](Cc2ccc(C#N)s2)CCC12CCOCC2 ZINC000336010449 212812104 /nfs/dbraw/zinc/81/21/04/212812104.db2.gz YJAMMAXORVEHJT-LBPRGKRZSA-N 1 1 276.405 3.011 20 30 CGEDMO CCC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000341600397 216028607 /nfs/dbraw/zinc/02/86/07/216028607.db2.gz BPJDHSLJYIIZOL-CABCVRRESA-N 1 1 299.418 3.397 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCCCC[C@H]2CCO)c(Cl)c1 ZINC000342041153 216196304 /nfs/dbraw/zinc/19/63/04/216196304.db2.gz BPEXGIGVHORCFU-HNNXBMFYSA-N 1 1 292.810 3.339 20 30 CGEDMO N#Cc1ccc(OCC[N@@H+]2CCc3ccc(F)cc3C2)cc1 ZINC000441061622 238367276 /nfs/dbraw/zinc/36/72/76/238367276.db2.gz WYDJXBDRTWRSES-UHFFFAOYSA-N 1 1 296.345 3.134 20 30 CGEDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000119382388 370672653 /nfs/dbraw/zinc/67/26/53/370672653.db2.gz MHNJXQBXRGGNJO-CYBMUJFWSA-N 1 1 298.361 3.466 20 30 CGEDMO CC[N@H+]1CCCC[C@H]1CNc1c(C#N)cnc2ccccc21 ZINC000301517167 201042099 /nfs/dbraw/zinc/04/20/99/201042099.db2.gz DCTKQMXFZGDUQR-HNNXBMFYSA-N 1 1 294.402 3.393 20 30 CGEDMO CC(C)C[N@H+]1CC[C@@H](CNc2ccc(C#N)cc2F)C1 ZINC000301610965 201095240 /nfs/dbraw/zinc/09/52/40/201095240.db2.gz QYFKGPDWNGJQJH-AWEZNQCLSA-N 1 1 275.371 3.087 20 30 CGEDMO CC[N@@H+](C)Cc1cccc(CNc2cccc(C#N)n2)c1 ZINC000301844415 201229688 /nfs/dbraw/zinc/22/96/88/201229688.db2.gz LPIYVJCAWWDXRF-UHFFFAOYSA-N 1 1 280.375 3.017 20 30 CGEDMO Cc1ccccc1[C@H]1C[N@H+](CCC(C)(C)C#N)CCO1 ZINC000119942516 370724752 /nfs/dbraw/zinc/72/47/52/370724752.db2.gz JYPNZHGGRPUCKZ-MRXNPFEDSA-N 1 1 272.392 3.308 20 30 CGEDMO Cc1ccccc1[C@H]1C[N@@H+](CCC(C)(C)C#N)CCO1 ZINC000119942516 370724756 /nfs/dbraw/zinc/72/47/56/370724756.db2.gz JYPNZHGGRPUCKZ-MRXNPFEDSA-N 1 1 272.392 3.308 20 30 CGEDMO C[C@H]1C[N@H+](CCC(C)(C)C#N)[C@H](c2ccccc2)CO1 ZINC000119956529 370726147 /nfs/dbraw/zinc/72/61/47/370726147.db2.gz USUYXGQNGZHQQE-HOCLYGCPSA-N 1 1 272.392 3.388 20 30 CGEDMO C[C@H]1C[N@@H+](CCC(C)(C)C#N)[C@H](c2ccccc2)CO1 ZINC000119956529 370726150 /nfs/dbraw/zinc/72/61/50/370726150.db2.gz USUYXGQNGZHQQE-HOCLYGCPSA-N 1 1 272.392 3.388 20 30 CGEDMO C=CC[C@H](C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000275363508 193010798 /nfs/dbraw/zinc/01/07/98/193010798.db2.gz TZWFTDFOTUFOPY-YJBOKZPZSA-N 1 1 298.430 3.113 20 30 CGEDMO C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1nc2c(s1)CCC2 ZINC000459651617 242162513 /nfs/dbraw/zinc/16/25/13/242162513.db2.gz PNDDTULAGSMTJV-SECBINFHSA-N 1 1 289.429 3.416 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000124774237 370926787 /nfs/dbraw/zinc/92/67/87/370926787.db2.gz QGSWSRFRRZWTQH-XHSDSOJGSA-N 1 1 251.414 3.358 20 30 CGEDMO C=CCOc1ccccc1C[NH2+][C@@H](C)c1ccccn1 ZINC000034992541 368986467 /nfs/dbraw/zinc/98/64/67/368986467.db2.gz JNUOXWAKRACHRQ-AWEZNQCLSA-N 1 1 268.360 3.497 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](Cc1ccccc1F)C1CC1 ZINC000037485602 369084394 /nfs/dbraw/zinc/08/43/94/369084394.db2.gz VHPAKRSQQQIVRT-HNNXBMFYSA-N 1 1 263.356 3.117 20 30 CGEDMO C[C@H]1CCCC[C@@H]1[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000042253278 369207405 /nfs/dbraw/zinc/20/74/05/369207405.db2.gz PYVLHQGEZBSLFE-YOEHRIQHSA-N 1 1 272.392 3.448 20 30 CGEDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000042253274 369207915 /nfs/dbraw/zinc/20/79/15/369207915.db2.gz PYVLHQGEZBSLFE-PBHICJAKSA-N 1 1 272.392 3.448 20 30 CGEDMO CC(C)C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)C(C)C ZINC000042582754 369225311 /nfs/dbraw/zinc/22/53/11/369225311.db2.gz PMABHFJFRYFSDH-UHFFFAOYSA-N 1 1 287.407 3.253 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000053096003 369478262 /nfs/dbraw/zinc/47/82/62/369478262.db2.gz FTJZUWXIQJBUFO-CQSZACIVSA-N 1 1 259.349 3.171 20 30 CGEDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000055386533 369516779 /nfs/dbraw/zinc/51/67/79/369516779.db2.gz UIGIHLFPKPHJDB-CJNGLKHVSA-N 1 1 285.391 3.007 20 30 CGEDMO CC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccoc1 ZINC000072599501 369827108 /nfs/dbraw/zinc/82/71/08/369827108.db2.gz CRJYBMZICSGNBW-UHFFFAOYSA-N 1 1 297.358 3.002 20 30 CGEDMO CC[C@]1(C)CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000075998987 369925259 /nfs/dbraw/zinc/92/52/59/369925259.db2.gz DRABIMRMOFAIKK-KBXCAEBGSA-N 1 1 299.418 3.397 20 30 CGEDMO Cn1cc(Cl)cc1C[N@@H+](C)CC(C)(C)CCC#N ZINC000091931547 370081110 /nfs/dbraw/zinc/08/11/10/370081110.db2.gz NSVGJAHFFPLLGN-UHFFFAOYSA-N 1 1 267.804 3.440 20 30 CGEDMO CC[C@H]1CC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000091929990 370081322 /nfs/dbraw/zinc/08/13/22/370081322.db2.gz XGZPBAIASQTCDH-HNNXBMFYSA-N 1 1 271.408 3.268 20 30 CGEDMO CC[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C[C@H](C)C#N ZINC000091983450 370085628 /nfs/dbraw/zinc/08/56/28/370085628.db2.gz JMQKTAUUVZBNEV-GFCCVEGCSA-N 1 1 286.354 3.197 20 30 CGEDMO CC[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C[C@H](C)C#N ZINC000091983450 370085633 /nfs/dbraw/zinc/08/56/33/370085633.db2.gz JMQKTAUUVZBNEV-GFCCVEGCSA-N 1 1 286.354 3.197 20 30 CGEDMO CCCOc1cccc(C[N@H+](CC)C[C@@H](C)C#N)c1 ZINC000091983667 370086304 /nfs/dbraw/zinc/08/63/04/370086304.db2.gz MLAYSAOOVUWEDD-AWEZNQCLSA-N 1 1 260.381 3.457 20 30 CGEDMO CCCOc1cccc(C[N@@H+](CC)C[C@@H](C)C#N)c1 ZINC000091983667 370086312 /nfs/dbraw/zinc/08/63/12/370086312.db2.gz MLAYSAOOVUWEDD-AWEZNQCLSA-N 1 1 260.381 3.457 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000092967617 370105452 /nfs/dbraw/zinc/10/54/52/370105452.db2.gz AHBZBONMILKYTM-KRWDZBQOSA-N 1 1 297.402 3.285 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCOC[C@H]1C1CC1 ZINC000090009159 370053263 /nfs/dbraw/zinc/05/32/63/370053263.db2.gz IOKHCJLOOVGPSN-KRWDZBQOSA-N 1 1 284.403 3.099 20 30 CGEDMO C#CCOc1ccc(C[N@H+](CC)Cc2ccccn2)cc1 ZINC000093338831 370117922 /nfs/dbraw/zinc/11/79/22/370117922.db2.gz KLXJVWXODIGBRO-UHFFFAOYSA-N 1 1 280.371 3.116 20 30 CGEDMO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)CC(C)(C)CCC#N ZINC000093864443 370165340 /nfs/dbraw/zinc/16/53/40/370165340.db2.gz XHYUYPNQMOSXOY-AWEZNQCLSA-N 1 1 274.412 3.059 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]1C(C)C ZINC000130477600 371037856 /nfs/dbraw/zinc/03/78/56/371037856.db2.gz OYNWBPFKANTKFS-OAHLLOKOSA-N 1 1 258.365 3.187 20 30 CGEDMO N#CCC[C@@H]([NH2+]Cc1ccccn1)c1ccccc1 ZINC000130583090 371044240 /nfs/dbraw/zinc/04/42/40/371044240.db2.gz IVOHLESUJBOSAF-MRXNPFEDSA-N 1 1 251.333 3.216 20 30 CGEDMO C[C@H](Cc1ccccc1)C[N@@H+](CCC#N)CC1CC1 ZINC000132308161 371164928 /nfs/dbraw/zinc/16/49/28/371164928.db2.gz ZLHSFLHBFJCZAS-OAHLLOKOSA-N 1 1 256.393 3.491 20 30 CGEDMO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1C[C@H](C#N)CCC#N ZINC000132568558 371184935 /nfs/dbraw/zinc/18/49/35/371184935.db2.gz ZDSWKEWXIUUBMP-OFQRWUPVSA-N 1 1 285.366 3.447 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@@H](C)CCSC)cc1C#N ZINC000135195022 371399792 /nfs/dbraw/zinc/39/97/92/371399792.db2.gz YRQNZPOHKTXRPT-LBPRGKRZSA-N 1 1 278.421 3.140 20 30 CGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CCC1CC1 ZINC000135264082 371407929 /nfs/dbraw/zinc/40/79/29/371407929.db2.gz UGTFLXDGNIUZNP-HNNXBMFYSA-N 1 1 299.418 3.054 20 30 CGEDMO CC(C)(C#N)CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000134869720 371370170 /nfs/dbraw/zinc/37/01/70/371370170.db2.gz XDUFVGIGHZVZDP-WBVHZDCISA-N 1 1 289.467 3.265 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000134869720 371370174 /nfs/dbraw/zinc/37/01/74/371370174.db2.gz XDUFVGIGHZVZDP-WBVHZDCISA-N 1 1 289.467 3.265 20 30 CGEDMO CC(C)(C#N)CCCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134869720 371370177 /nfs/dbraw/zinc/37/01/77/371370177.db2.gz XDUFVGIGHZVZDP-WBVHZDCISA-N 1 1 289.467 3.265 20 30 CGEDMO CC(C)(C#N)CCCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134869720 371370181 /nfs/dbraw/zinc/37/01/81/371370181.db2.gz XDUFVGIGHZVZDP-WBVHZDCISA-N 1 1 289.467 3.265 20 30 CGEDMO CC[N@@H+](Cc1ccc(OC)c(C#N)c1)[C@H](C)C(C)C ZINC000135006779 371383079 /nfs/dbraw/zinc/38/30/79/371383079.db2.gz HMOCRFMMPLIFDS-CYBMUJFWSA-N 1 1 260.381 3.433 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](C(C)C)C1 ZINC000135398037 371422490 /nfs/dbraw/zinc/42/24/90/371422490.db2.gz SYNPEDOLVMLUSH-CQSZACIVSA-N 1 1 258.365 3.045 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2cc(Br)cs2)o1 ZINC000135482253 371430761 /nfs/dbraw/zinc/43/07/61/371430761.db2.gz MUVNTHFJVALUJB-UHFFFAOYSA-N 1 1 297.177 3.265 20 30 CGEDMO C[C@H]1CCC[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000154167426 371824904 /nfs/dbraw/zinc/82/49/04/371824904.db2.gz HNPMGCJBVQRMFQ-LBPRGKRZSA-N 1 1 283.293 3.421 20 30 CGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000344067469 217035406 /nfs/dbraw/zinc/03/54/06/217035406.db2.gz PLYLSMKEAQYELS-LSDHHAIUSA-N 1 1 297.402 3.173 20 30 CGEDMO CC(C)[N@@H+](Cc1cccn1C)Cc1ccc(C#N)cc1 ZINC000154386145 371842368 /nfs/dbraw/zinc/84/23/68/371842368.db2.gz GTBVTCIYOSNEGF-UHFFFAOYSA-N 1 1 267.376 3.307 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)NCc1ccccc1Cl ZINC000155136810 371907402 /nfs/dbraw/zinc/90/74/02/371907402.db2.gz QDTQRYWBNMCPHN-CYBMUJFWSA-N 1 1 294.826 3.243 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](C3CC3)C2)cc1F ZINC000344114136 217056137 /nfs/dbraw/zinc/05/61/37/217056137.db2.gz SHDHAXNBJQGHSE-HNNXBMFYSA-N 1 1 258.340 3.319 20 30 CGEDMO CC[N@@H+](CCC(=O)Nc1ccc(Cl)cc1)C[C@@H](C)C#N ZINC000155238122 371917183 /nfs/dbraw/zinc/91/71/83/371917183.db2.gz JNLZNBCLARSKJA-LBPRGKRZSA-N 1 1 293.798 3.150 20 30 CGEDMO C#CC[N@@H+](CCc1nc(-c2ccccc2)no1)C1CCCC1 ZINC000155776447 371944050 /nfs/dbraw/zinc/94/40/50/371944050.db2.gz VIFSIYWTQNYGLY-UHFFFAOYSA-N 1 1 295.386 3.157 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000156146727 371964290 /nfs/dbraw/zinc/96/42/90/371964290.db2.gz VRYNTIMWGKKBPU-SOUVJXGZSA-N 1 1 266.429 3.062 20 30 CGEDMO C[N@H+](Cc1cc(C#N)ccc1F)C[C@@H]1CC=CCC1 ZINC000156509850 371982544 /nfs/dbraw/zinc/98/25/44/371982544.db2.gz QCWVZJYRJLFTEU-CYBMUJFWSA-N 1 1 258.340 3.485 20 30 CGEDMO C=CC[NH+](CC=C)Cc1ccc(OC)cc1OC(F)F ZINC000158123644 372053678 /nfs/dbraw/zinc/05/36/78/372053678.db2.gz VXOSVKFGDHOCEK-UHFFFAOYSA-N 1 1 283.318 3.471 20 30 CGEDMO C[C@H](NC[C@H]1[NH2+]CCc2ccccc21)c1ccc(C#N)cc1 ZINC000423446301 372064069 /nfs/dbraw/zinc/06/40/69/372064069.db2.gz ZANBYGHACYENRG-IFXJQAMLSA-N 1 1 291.398 3.096 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000424604115 372086784 /nfs/dbraw/zinc/08/67/84/372086784.db2.gz UJDGORDCIJDJHS-ZNMIVQPWSA-N 1 1 280.456 3.071 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ncccc1C(F)(F)F ZINC000158990800 372096610 /nfs/dbraw/zinc/09/66/10/372096610.db2.gz MCFJLXRDXBISPG-UHFFFAOYSA-N 1 1 258.287 3.498 20 30 CGEDMO CC[C@]1(C)CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000344241810 217115926 /nfs/dbraw/zinc/11/59/26/217115926.db2.gz DOCOCGGHGPEDTG-QGZVFWFLSA-N 1 1 285.391 3.009 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000426569638 372165382 /nfs/dbraw/zinc/16/53/82/372165382.db2.gz BZVHQBIZEOUYEK-AWEZNQCLSA-N 1 1 260.337 3.444 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)c(OC)c1 ZINC000426568830 372165426 /nfs/dbraw/zinc/16/54/26/372165426.db2.gz UHWLVLLQZOJUDN-CQSZACIVSA-N 1 1 261.365 3.244 20 30 CGEDMO C=CC[N@H+](CCCOCC)Cc1cccc([N+](=O)[O-])c1 ZINC000159749251 372175244 /nfs/dbraw/zinc/17/52/44/372175244.db2.gz KAFWMGMIMNYDCR-UHFFFAOYSA-N 1 1 278.352 3.009 20 30 CGEDMO C=CCCC[N@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000159756302 372175448 /nfs/dbraw/zinc/17/54/48/372175448.db2.gz HNMQHNCATQQXGJ-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO CC[C@@]1(C)CC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000344253486 217121204 /nfs/dbraw/zinc/12/12/04/217121204.db2.gz MSAQRAWRJGLODT-HNNXBMFYSA-N 1 1 291.420 3.070 20 30 CGEDMO COc1ccccc1CC[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000159859454 372187603 /nfs/dbraw/zinc/18/76/03/372187603.db2.gz QCNSLZBMFJWXLU-UHFFFAOYSA-N 1 1 297.373 3.360 20 30 CGEDMO N#Cc1c(F)cccc1C[N@@H+](CCO)CC1CCCCC1 ZINC000428436914 372201057 /nfs/dbraw/zinc/20/10/57/372201057.db2.gz CULSVFUWFZYARS-UHFFFAOYSA-N 1 1 290.382 3.072 20 30 CGEDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428982550 372296406 /nfs/dbraw/zinc/29/64/06/372296406.db2.gz SVAFJLOQHMFTOJ-DZGCQCFKSA-N 1 1 290.382 3.213 20 30 CGEDMO CC(C)[C@]1(CO)CCC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000292906408 372244417 /nfs/dbraw/zinc/24/44/17/372244417.db2.gz ATWVOLQOQYHHCE-CRAIPNDOSA-N 1 1 286.419 3.350 20 30 CGEDMO COCC[N@@H+](Cc1cccc(F)c1C#N)[C@@H]1CCC[C@@H]1C ZINC000428945170 372287181 /nfs/dbraw/zinc/28/71/81/372287181.db2.gz XGBCEZHMIZXALW-SUMWQHHRSA-N 1 1 290.382 3.334 20 30 CGEDMO Cc1ccc(C)c(C[N@@H+](C)CCCSCC#N)c1 ZINC000429289304 372340805 /nfs/dbraw/zinc/34/08/05/372340805.db2.gz DASLZAJTUATWQK-UHFFFAOYSA-N 1 1 262.422 3.382 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)Cc1ccccc1C(C)(C)C#N ZINC000429709595 372377314 /nfs/dbraw/zinc/37/73/14/372377314.db2.gz QWGGMJUQWLUEQF-UHFFFAOYSA-N 1 1 299.462 3.427 20 30 CGEDMO C=CC[N@@H+](C)CCN(CC)Cc1ccccc1C(C)(C)C#N ZINC000429709595 372377319 /nfs/dbraw/zinc/37/73/19/372377319.db2.gz QWGGMJUQWLUEQF-UHFFFAOYSA-N 1 1 299.462 3.427 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)Cc1ccccc1C(C)(C)C#N ZINC000429709595 372377326 /nfs/dbraw/zinc/37/73/26/372377326.db2.gz QWGGMJUQWLUEQF-UHFFFAOYSA-N 1 1 299.462 3.427 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)[C@@H](C)c1cccc(OC)c1 ZINC000429709267 372377535 /nfs/dbraw/zinc/37/75/35/372377535.db2.gz PHWRDEQSTVSVCV-HNNXBMFYSA-N 1 1 276.424 3.196 20 30 CGEDMO C=CC[N@@H+](C)CCN(CC)[C@@H](C)c1cccc(OC)c1 ZINC000429709267 372377538 /nfs/dbraw/zinc/37/75/38/372377538.db2.gz PHWRDEQSTVSVCV-HNNXBMFYSA-N 1 1 276.424 3.196 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)[C@@H](C)c1cccc(OC)c1 ZINC000429709267 372377543 /nfs/dbraw/zinc/37/75/43/372377543.db2.gz PHWRDEQSTVSVCV-HNNXBMFYSA-N 1 1 276.424 3.196 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)[C@@H](C)c1ccc(F)cc1F ZINC000429713304 372377686 /nfs/dbraw/zinc/37/76/86/372377686.db2.gz DCQKRNZHPCRHGY-ZDUSSCGKSA-N 1 1 282.378 3.466 20 30 CGEDMO CC[C@@H]1CC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000430195588 372385965 /nfs/dbraw/zinc/38/59/65/372385965.db2.gz OIYBQJRJBIBCFD-OAHLLOKOSA-N 1 1 258.365 3.353 20 30 CGEDMO CCOCC[N@H+](CC)Cc1ccc(C#N)cc1Cl ZINC000162908512 372433334 /nfs/dbraw/zinc/43/33/34/372433334.db2.gz YNLQGTPABOPULF-UHFFFAOYSA-N 1 1 266.772 3.070 20 30 CGEDMO CCOCC[N@@H+](CC)Cc1ccc(C#N)cc1Cl ZINC000162908512 372433339 /nfs/dbraw/zinc/43/33/39/372433339.db2.gz YNLQGTPABOPULF-UHFFFAOYSA-N 1 1 266.772 3.070 20 30 CGEDMO C[C@H](c1cccc(Cl)c1)[N@@H+](C)CCOCCC#N ZINC000293665441 372441885 /nfs/dbraw/zinc/44/18/85/372441885.db2.gz ZBFKBWRMSCEQLU-GFCCVEGCSA-N 1 1 266.772 3.263 20 30 CGEDMO C=CCCC(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000163383067 372465399 /nfs/dbraw/zinc/46/53/99/372465399.db2.gz QHECTYRIEWBTDI-GOSISDBHSA-N 1 1 286.419 3.124 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1cccc(Br)c1 ZINC000164669177 372528102 /nfs/dbraw/zinc/52/81/02/372528102.db2.gz SRGUKQSZADMOGK-UHFFFAOYSA-N 1 1 267.170 3.088 20 30 CGEDMO CCCN(Cc1ccc(C#N)cc1)c1[nH+]cnc2[nH]ccc21 ZINC000432058242 372530531 /nfs/dbraw/zinc/53/05/31/372530531.db2.gz VPCCYCFXAZNYNJ-UHFFFAOYSA-N 1 1 291.358 3.246 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000433229659 372584290 /nfs/dbraw/zinc/58/42/90/372584290.db2.gz ZNXIJIVEAJIOID-INIZCTEOSA-N 1 1 278.440 3.208 20 30 CGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCCc3ccccc3C2)cc1 ZINC000170811651 372666359 /nfs/dbraw/zinc/66/63/59/372666359.db2.gz NIOSUXHKEWUIIJ-LJQANCHMSA-N 1 1 292.382 3.040 20 30 CGEDMO CC1(C)CC[N@@H+](CC#Cc2ccc(F)cc2)CCS1 ZINC000434695248 372701873 /nfs/dbraw/zinc/70/18/73/372701873.db2.gz YGHLZVSCLGPEAX-UHFFFAOYSA-N 1 1 277.408 3.395 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)CC[C@H]1CCOC1 ZINC000437686913 372855510 /nfs/dbraw/zinc/85/55/10/372855510.db2.gz JCSLNQYCDZUHEU-KRWDZBQOSA-N 1 1 259.393 3.144 20 30 CGEDMO C=CC[N@H+](CCC(=O)N1CCC[C@@H]1C)Cc1ccccc1 ZINC000438839324 372971028 /nfs/dbraw/zinc/97/10/28/372971028.db2.gz VFBAWIVBYJKFJR-INIZCTEOSA-N 1 1 286.419 3.076 20 30 CGEDMO C[N@@H+](CC#Cc1ccccc1Cl)[C@@H](CO)c1ccccc1 ZINC000441156729 372998119 /nfs/dbraw/zinc/99/81/19/372998119.db2.gz NVKVYCQKBCZCMR-SFHVURJKSA-N 1 1 299.801 3.357 20 30 CGEDMO CCC(C)(C)[C@@H]1CCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000441665130 373031667 /nfs/dbraw/zinc/03/16/67/373031667.db2.gz HLKWFFCTQMTBBZ-INIZCTEOSA-N 1 1 299.418 3.397 20 30 CGEDMO C=CC[NH+]1CCN([C@@H](CC)c2ccc(F)cc2F)CC1 ZINC000441443346 373015599 /nfs/dbraw/zinc/01/55/99/373015599.db2.gz ZEZOHFXHKFRBFV-INIZCTEOSA-N 1 1 280.362 3.220 20 30 CGEDMO C=CCC[C@@H](CC)[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000296367781 373107693 /nfs/dbraw/zinc/10/76/93/373107693.db2.gz JCRJSGITWMEJSZ-ARFHVFGLSA-N 1 1 286.419 3.012 20 30 CGEDMO CCC(CC)[C@H](CN[C@@H]1CC[C@@H](C#N)C1)[NH+]1CCCC1 ZINC000442723106 373070066 /nfs/dbraw/zinc/07/00/66/373070066.db2.gz WULRNNPMVCCWCE-OIISXLGYSA-N 1 1 277.456 3.169 20 30 CGEDMO CCC(CC)[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)N1CCCC1 ZINC000442723106 373070071 /nfs/dbraw/zinc/07/00/71/373070071.db2.gz WULRNNPMVCCWCE-OIISXLGYSA-N 1 1 277.456 3.169 20 30 CGEDMO CC[N@H+](CCOc1ccc(SC)cc1)C[C@H](C)C#N ZINC000173598501 373164097 /nfs/dbraw/zinc/16/40/97/373164097.db2.gz UUYMSOGOYMIAAO-CYBMUJFWSA-N 1 1 278.421 3.269 20 30 CGEDMO CC[N@@H+](CCOc1ccc(SC)cc1)C[C@H](C)C#N ZINC000173598501 373164103 /nfs/dbraw/zinc/16/41/03/373164103.db2.gz UUYMSOGOYMIAAO-CYBMUJFWSA-N 1 1 278.421 3.269 20 30 CGEDMO C#CC[C@@H]([NH2+][C@@H](C)c1nccn1CC)c1ccccc1 ZINC000296633905 373201675 /nfs/dbraw/zinc/20/16/75/373201675.db2.gz CJWHTSGPYAGAPE-GOEBONIOSA-N 1 1 267.376 3.318 20 30 CGEDMO C=CC[C@H]1[N@@H+](CCC(=O)N2CCC[C@@H]2C)CCCC1(C)C ZINC000444779258 373271113 /nfs/dbraw/zinc/27/11/13/373271113.db2.gz BKUNZYVYCDPSDN-JKSUJKDBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(Br)C[N@H+](C)CCc1cccs1 ZINC000174154897 373258064 /nfs/dbraw/zinc/25/80/64/373258064.db2.gz BWSCYVADBSWTFL-UHFFFAOYSA-N 1 1 260.200 3.131 20 30 CGEDMO C=C(Br)C[N@@H+](C)CCc1cccs1 ZINC000174154897 373258075 /nfs/dbraw/zinc/25/80/75/373258075.db2.gz BWSCYVADBSWTFL-UHFFFAOYSA-N 1 1 260.200 3.131 20 30 CGEDMO CC(C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000174194853 373264467 /nfs/dbraw/zinc/26/44/67/373264467.db2.gz CISYWDVTBDPYBH-HNNXBMFYSA-N 1 1 299.418 3.255 20 30 CGEDMO C=CC[C@@H]1[N@H+](C[C@H](O)CC(F)(F)F)CCCC1(C)C ZINC000444776244 373270154 /nfs/dbraw/zinc/27/01/54/373270154.db2.gz OXHAVLFATGAVAB-NEPJUHHUSA-N 1 1 279.346 3.366 20 30 CGEDMO COc1ccc(C[NH2+]C2(c3ccccc3F)CC2)cc1C#N ZINC000174410018 373311479 /nfs/dbraw/zinc/31/14/79/373311479.db2.gz FWIZGAGJWAPNDO-UHFFFAOYSA-N 1 1 296.345 3.485 20 30 CGEDMO CC(C)[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000446728831 373347970 /nfs/dbraw/zinc/34/79/70/373347970.db2.gz QFZQTKABRZUVEG-HNNXBMFYSA-N 1 1 296.374 3.086 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cncc(F)c1 ZINC000177860219 373716606 /nfs/dbraw/zinc/71/66/06/373716606.db2.gz FWRQOQZGLDLCKE-SNVBAGLBSA-N 1 1 273.286 3.082 20 30 CGEDMO C=CC[N@@H+](Cc1ccc2c(c1)OCCCCO2)C1CC1 ZINC000449238671 373675371 /nfs/dbraw/zinc/67/53/71/373675371.db2.gz SJKVTPVXAUDXEU-UHFFFAOYSA-N 1 1 273.376 3.388 20 30 CGEDMO CC[C@@H]1CCCC[N@H+]1CCNc1ccc(C#N)cc1F ZINC000301285114 373728668 /nfs/dbraw/zinc/72/86/68/373728668.db2.gz RDOYCOWMLHHJMU-CQSZACIVSA-N 1 1 275.371 3.374 20 30 CGEDMO CC[N@@H+](CC#Cc1cccc(Cl)c1)C[C@H]1CCCO1 ZINC000178927028 373816168 /nfs/dbraw/zinc/81/61/68/373816168.db2.gz DRUZTRCOQLCJBS-MRXNPFEDSA-N 1 1 277.795 3.192 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCC[C@]3(CCOC3)C2)c1 ZINC000449682460 373840151 /nfs/dbraw/zinc/84/01/51/373840151.db2.gz HEZWQOQHXRMNND-SFHVURJKSA-N 1 1 287.403 3.254 20 30 CGEDMO C=CCCCC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000449560564 373831987 /nfs/dbraw/zinc/83/19/87/373831987.db2.gz MSQHHBKLRXSABL-HNSVSWJLSA-N 1 1 250.430 3.336 20 30 CGEDMO C=CCC1(C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)CCCC1 ZINC000449612870 373835880 /nfs/dbraw/zinc/83/58/80/373835880.db2.gz PCLJFTPZBHGHQZ-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO Cc1ccc(C[N@H+](C)Cc2cc(C#N)n(C)c2)cc1C ZINC000449762786 373892165 /nfs/dbraw/zinc/89/21/65/373892165.db2.gz LJBMSAXYJBUGGM-UHFFFAOYSA-N 1 1 267.376 3.146 20 30 CGEDMO C=CCOc1cccc(CNC(C)(C)C[NH+]2CCCC2)c1 ZINC000449766895 373896904 /nfs/dbraw/zinc/89/69/04/373896904.db2.gz CJIPYMOYJHBAOD-UHFFFAOYSA-N 1 1 288.435 3.215 20 30 CGEDMO C=CCCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000449898170 373962455 /nfs/dbraw/zinc/96/24/55/373962455.db2.gz CZSCMCKRQSGCNM-INIZCTEOSA-N 1 1 278.440 3.208 20 30 CGEDMO C[N@@H+](CCCCC#N)Cc1cc(F)c(F)c(F)c1 ZINC000180488438 374014422 /nfs/dbraw/zinc/01/44/22/374014422.db2.gz UDXIRMXFAGZDRI-UHFFFAOYSA-N 1 1 256.271 3.230 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@H]1CN(CC#N)C1CCCC1 ZINC000450420401 374116899 /nfs/dbraw/zinc/11/68/99/374116899.db2.gz CFIMOCVLAQNRJN-INIZCTEOSA-N 1 1 263.429 3.017 20 30 CGEDMO C[C@H](c1ccccc1)[C@@H](O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000450430510 374123442 /nfs/dbraw/zinc/12/34/42/374123442.db2.gz SGLSHUKLDNFUQO-WBVHZDCISA-N 1 1 288.435 3.413 20 30 CGEDMO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)CC1(C#N)CCC1 ZINC000450585996 374163511 /nfs/dbraw/zinc/16/35/11/374163511.db2.gz NQQYQEFFEYPPKT-CJNGLKHVSA-N 1 1 270.376 3.004 20 30 CGEDMO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)CC1(C#N)CCC1 ZINC000450585996 374163515 /nfs/dbraw/zinc/16/35/15/374163515.db2.gz NQQYQEFFEYPPKT-CJNGLKHVSA-N 1 1 270.376 3.004 20 30 CGEDMO C[C@@H](NCC1(C#N)CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000450693133 374172311 /nfs/dbraw/zinc/17/23/11/374172311.db2.gz CXNSHFPSEBJQMQ-AEFFLSMTSA-N 1 1 297.446 3.180 20 30 CGEDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000313703970 374304643 /nfs/dbraw/zinc/30/46/43/374304643.db2.gz AZQADTUKDVXPGF-CXAGYDPISA-N 1 1 290.382 3.213 20 30 CGEDMO C[C@@H]1CCC[C@H]([N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000314908454 374323598 /nfs/dbraw/zinc/32/35/98/374323598.db2.gz GCOHAIMWUHPMKA-PBHICJAKSA-N 1 1 299.418 3.397 20 30 CGEDMO CC[C@@H](C)C[N@@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182777345 374325018 /nfs/dbraw/zinc/32/50/18/374325018.db2.gz XYAZHMONWDIYGW-RHSMWYFYSA-N 1 1 299.418 3.032 20 30 CGEDMO C[C@H]([NH2+]Cc1cnc(C2CC2)o1)c1cccc(C#N)c1 ZINC000453335337 374430085 /nfs/dbraw/zinc/43/00/85/374430085.db2.gz ABSYGXIFWSHTOP-NSHDSACASA-N 1 1 267.332 3.274 20 30 CGEDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccccn1 ZINC000330443743 374466345 /nfs/dbraw/zinc/46/63/45/374466345.db2.gz BPWCMJGNKXDKNP-AWEZNQCLSA-N 1 1 290.411 3.062 20 30 CGEDMO CCCc1ncc(C[NH2+][C@H](C)c2ccc(C#N)cc2)o1 ZINC000453381377 374467621 /nfs/dbraw/zinc/46/76/21/374467621.db2.gz LNHLVVOXWGYTSD-GFCCVEGCSA-N 1 1 269.348 3.350 20 30 CGEDMO CC1(C)C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000459493708 374808972 /nfs/dbraw/zinc/80/89/72/374808972.db2.gz ZZHMUTJCRHQGHA-GOEBONIOSA-N 1 1 299.374 3.477 20 30 CGEDMO CCC[N@@H+](CCCC(C)(C)C#N)CC(=O)OC(C)(C)C ZINC000186302481 374830545 /nfs/dbraw/zinc/83/05/45/374830545.db2.gz AHUBYDVKGVBRRG-UHFFFAOYSA-N 1 1 282.428 3.370 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000466649772 374967873 /nfs/dbraw/zinc/96/78/73/374967873.db2.gz ZLZMZHCYTWVKMB-HOTGVXAUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+](C)CCOc1cccc(Br)c1 ZINC000467295254 374973458 /nfs/dbraw/zinc/97/34/58/374973458.db2.gz LJOBTJMPINUGAK-UHFFFAOYSA-N 1 1 284.197 3.336 20 30 CGEDMO C=C(CC)C[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000470999184 375001423 /nfs/dbraw/zinc/00/14/23/375001423.db2.gz SNNVJANFTYVFMF-HDICACEKSA-N 1 1 270.420 3.016 20 30 CGEDMO C=C(CC)C[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000470999184 375001429 /nfs/dbraw/zinc/00/14/29/375001429.db2.gz SNNVJANFTYVFMF-HDICACEKSA-N 1 1 270.420 3.016 20 30 CGEDMO C=C(CC)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000470999184 375001433 /nfs/dbraw/zinc/00/14/33/375001433.db2.gz SNNVJANFTYVFMF-HDICACEKSA-N 1 1 270.420 3.016 20 30 CGEDMO C=C(CC)CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000470999184 375001436 /nfs/dbraw/zinc/00/14/36/375001436.db2.gz SNNVJANFTYVFMF-HDICACEKSA-N 1 1 270.420 3.016 20 30 CGEDMO C=C(C)[C@H]([NH2+]Cc1cnn(C)c1)c1ccc(F)c(F)c1 ZINC000187371986 375012244 /nfs/dbraw/zinc/01/22/44/375012244.db2.gz ZMENBYQRJLVGFN-HNNXBMFYSA-N 1 1 277.318 3.105 20 30 CGEDMO C=CCCN(C)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000467009252 374972383 /nfs/dbraw/zinc/97/23/83/374972383.db2.gz MFTYHDAUKQIERV-HNNXBMFYSA-N 1 1 295.471 3.105 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)o1 ZINC000187594476 375051741 /nfs/dbraw/zinc/05/17/41/375051741.db2.gz ARGXURXEBAHVQZ-LLVKDONJSA-N 1 1 288.297 3.419 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)o1 ZINC000187594476 375051746 /nfs/dbraw/zinc/05/17/46/375051746.db2.gz ARGXURXEBAHVQZ-LLVKDONJSA-N 1 1 288.297 3.419 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCCC[C@H](C)C1 ZINC000187973084 375129022 /nfs/dbraw/zinc/12/90/22/375129022.db2.gz YHWXSNVEGBPORY-ZDUSSCGKSA-N 1 1 258.365 3.189 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)C[C@@H]1CC[C@@H](C)O1 ZINC000475048493 375130365 /nfs/dbraw/zinc/13/03/65/375130365.db2.gz PJEPSEWHPSEOHV-WBVHZDCISA-N 1 1 259.393 3.285 20 30 CGEDMO Cc1ccccc1OCC[N@H+](C)CC#Cc1ccccc1 ZINC000483547105 375182789 /nfs/dbraw/zinc/18/27/89/375182789.db2.gz UBEHZVXOKOIBRD-UHFFFAOYSA-N 1 1 279.383 3.357 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@H](C)C[C@H]2C)c1C ZINC000485129541 375190741 /nfs/dbraw/zinc/19/07/41/375190741.db2.gz ZXPJHBMERNJLGV-CHWSQXEVSA-N 1 1 274.408 3.204 20 30 CGEDMO CCCCC[C@H]1CCC[N@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000486798484 375197989 /nfs/dbraw/zinc/19/79/89/375197989.db2.gz CPPFELQFEUHZQO-RDJZCZTQSA-N 1 1 293.455 3.086 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](c3cccnc3)C2)c1 ZINC000335422477 375280093 /nfs/dbraw/zinc/28/00/93/375280093.db2.gz WFPOZVFLAMRFMX-OAHLLOKOSA-N 1 1 281.334 3.082 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000489452312 375317330 /nfs/dbraw/zinc/31/73/30/375317330.db2.gz WLVIEEDJXOMHLQ-HNNXBMFYSA-N 1 1 294.358 3.149 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000489452312 375317333 /nfs/dbraw/zinc/31/73/33/375317333.db2.gz WLVIEEDJXOMHLQ-HNNXBMFYSA-N 1 1 294.358 3.149 20 30 CGEDMO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCCCNC2)CC1 ZINC000335498682 375323446 /nfs/dbraw/zinc/32/34/46/375323446.db2.gz SRJMVCUHWTXUQX-JLAWEPINSA-N 1 1 297.446 3.122 20 30 CGEDMO C=CCC[C@H](C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000495124609 375497716 /nfs/dbraw/zinc/49/77/16/375497716.db2.gz WVVUWYTWQOMLNA-AEFFLSMTSA-N 1 1 298.430 3.089 20 30 CGEDMO C=C(C)CC[N@H+]1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000495677948 375501914 /nfs/dbraw/zinc/50/19/14/375501914.db2.gz UEVLXMGIAQAPAU-UHFFFAOYSA-N 1 1 294.439 3.428 20 30 CGEDMO N#Cc1ccc(C[N@H+](C[C@H](O)CC2CCCC2)C2CC2)cc1 ZINC000190460369 375512501 /nfs/dbraw/zinc/51/25/01/375512501.db2.gz PBVLQZMFAFSTSM-LJQANCHMSA-N 1 1 298.430 3.464 20 30 CGEDMO C[C@@H](C#N)C[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000190522217 375518857 /nfs/dbraw/zinc/51/88/57/375518857.db2.gz AQCOKPAIIZMPMG-QMMMGPOBSA-N 1 1 287.588 3.352 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496872090 375561785 /nfs/dbraw/zinc/56/17/85/375561785.db2.gz CPRJUJKLQGNAAB-CYBMUJFWSA-N 1 1 274.364 3.212 20 30 CGEDMO C=CCCCN1[C@H](C)C[N@H+](CCCC=C)C[C@@H]1C ZINC000191131444 375582228 /nfs/dbraw/zinc/58/22/28/375582228.db2.gz GFSIALMXPCROFD-IYBDPMFKSA-N 1 1 250.430 3.313 20 30 CGEDMO C=CCCCN1C[C@@H](C)[N@H+](CCCC=C)[C@@H](C)C1 ZINC000191131444 375582235 /nfs/dbraw/zinc/58/22/35/375582235.db2.gz GFSIALMXPCROFD-IYBDPMFKSA-N 1 1 250.430 3.313 20 30 CGEDMO C=CCCCN1C[C@@H](C)[N@@H+](CCCC=C)[C@@H](C)C1 ZINC000191131444 375582242 /nfs/dbraw/zinc/58/22/42/375582242.db2.gz GFSIALMXPCROFD-IYBDPMFKSA-N 1 1 250.430 3.313 20 30 CGEDMO Cc1ccc(C[C@H](C)[N@@H+](C)Cc2cc(C#N)n(C)c2)cc1 ZINC000191383982 375621011 /nfs/dbraw/zinc/62/10/11/375621011.db2.gz GORGIOURFCIYJG-HNNXBMFYSA-N 1 1 281.403 3.268 20 30 CGEDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191401419 375624489 /nfs/dbraw/zinc/62/44/89/375624489.db2.gz LQVVROWUIWOLMR-KRWDZBQOSA-N 1 1 281.403 3.350 20 30 CGEDMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2cc(C#N)n(C)c2)C1 ZINC000191433773 375627479 /nfs/dbraw/zinc/62/74/79/375627479.db2.gz XRIAQIJDYXEHIL-HIFRSBDPSA-N 1 1 277.437 3.003 20 30 CGEDMO CC[N@H+]1C[C@@H](C)N(Cc2ccccc2C(C)(C)C#N)C[C@@H]1C ZINC000498922305 375628490 /nfs/dbraw/zinc/62/84/90/375628490.db2.gz KZRJTIONPFRZGP-JKSUJKDBSA-N 1 1 299.462 3.402 20 30 CGEDMO CCN1C[C@@H](C)[N@H+](Cc2ccccc2C(C)(C)C#N)C[C@@H]1C ZINC000498922305 375628493 /nfs/dbraw/zinc/62/84/93/375628493.db2.gz KZRJTIONPFRZGP-JKSUJKDBSA-N 1 1 299.462 3.402 20 30 CGEDMO CCN1C[C@@H](C)[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@@H]1C ZINC000498922305 375628501 /nfs/dbraw/zinc/62/85/01/375628501.db2.gz KZRJTIONPFRZGP-JKSUJKDBSA-N 1 1 299.462 3.402 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@@H]2CCc2ccccc2)cc1C#N ZINC000191230263 375598782 /nfs/dbraw/zinc/59/87/82/375598782.db2.gz GZRYRARZEIMNQX-GOSISDBHSA-N 1 1 293.414 3.494 20 30 CGEDMO C=CCC1(C(=O)NCC[N@@H+]2CCCC[C@@H]2CC)CCC1 ZINC000191779796 375662620 /nfs/dbraw/zinc/66/26/20/375662620.db2.gz QAJXRVGDTOTXAQ-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO CCc1cc(OC)ccc1C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000502304616 375644540 /nfs/dbraw/zinc/64/45/40/375644540.db2.gz WLNDBLNCBMOLIU-ZDUSSCGKSA-N 1 1 272.392 3.382 20 30 CGEDMO CCc1cc(OC)ccc1C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000502304616 375644544 /nfs/dbraw/zinc/64/45/44/375644544.db2.gz WLNDBLNCBMOLIU-ZDUSSCGKSA-N 1 1 272.392 3.382 20 30 CGEDMO C[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000336086399 375674629 /nfs/dbraw/zinc/67/46/29/375674629.db2.gz YPAYQCLTFDMDRI-BXKDBHETSA-N 1 1 272.270 3.314 20 30 CGEDMO C[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1ccc(C#N)o1 ZINC000336086399 375674639 /nfs/dbraw/zinc/67/46/39/375674639.db2.gz YPAYQCLTFDMDRI-BXKDBHETSA-N 1 1 272.270 3.314 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)cc1F ZINC000192041985 375691988 /nfs/dbraw/zinc/69/19/88/375691988.db2.gz QCVPMGNPARYFOU-BBRMVZONSA-N 1 1 258.340 3.462 20 30 CGEDMO Cc1n[nH]c(C)c1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000336138625 375718806 /nfs/dbraw/zinc/71/88/06/375718806.db2.gz WNEXKFWXRAIAOO-UHFFFAOYSA-N 1 1 292.386 3.188 20 30 CGEDMO C[C@H](c1ccccn1)[N@H+](C)CC#Cc1ccccc1 ZINC000192135472 375703323 /nfs/dbraw/zinc/70/33/23/375703323.db2.gz LAGLVAOIXHZSHO-OAHLLOKOSA-N 1 1 250.345 3.126 20 30 CGEDMO C[C@H](c1ccccn1)[N@@H+](C)CC#Cc1ccccc1 ZINC000192135472 375703328 /nfs/dbraw/zinc/70/33/28/375703328.db2.gz LAGLVAOIXHZSHO-OAHLLOKOSA-N 1 1 250.345 3.126 20 30 CGEDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1CCCC(C)(C)C#N ZINC000124147531 542031331 /nfs/dbraw/zinc/03/13/31/542031331.db2.gz DDAPYWKDPDSLRK-LSDHHAIUSA-N 1 1 266.429 3.332 20 30 CGEDMO C=C(C)CC[N@@H+](Cc1ccccc1)C[C@@H](C)C(=O)OC ZINC000509909619 375783746 /nfs/dbraw/zinc/78/37/46/375783746.db2.gz IILMAQMZISSUCY-OAHLLOKOSA-N 1 1 275.392 3.264 20 30 CGEDMO C=C(C)CC[N@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000509279724 375777841 /nfs/dbraw/zinc/77/78/41/375777841.db2.gz RHDVIIRMBCOKOY-UHFFFAOYSA-N 1 1 266.772 3.177 20 30 CGEDMO C=CC[N@H+](CC/C=C\c1cncc(OC)c1)C1CC1 ZINC000514859813 375807120 /nfs/dbraw/zinc/80/71/20/375807120.db2.gz RJUMJULQEZUTFL-XQRVVYSFSA-N 1 1 258.365 3.144 20 30 CGEDMO N#CCC1CC[NH+](Cc2cccnc2C(F)(F)F)CC1 ZINC000528443487 375902140 /nfs/dbraw/zinc/90/21/40/375902140.db2.gz PTCSVUUWIXTNQP-UHFFFAOYSA-N 1 1 283.297 3.226 20 30 CGEDMO CCC1(CC)CCC[N@@H+](C[C@H](O)CC2(C#N)CC2)CC1 ZINC000528473099 375903784 /nfs/dbraw/zinc/90/37/84/375903784.db2.gz MCNHIHZIBGNNLT-OAHLLOKOSA-N 1 1 278.440 3.333 20 30 CGEDMO C=Cn1cc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cn1 ZINC000193702437 375913415 /nfs/dbraw/zinc/91/34/15/375913415.db2.gz KYYMIJICZGMKSZ-UHFFFAOYSA-N 1 1 280.375 3.266 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H](CSC)C1 ZINC000336833123 375994762 /nfs/dbraw/zinc/99/47/62/375994762.db2.gz NWIJVOJKHCOYSD-CQSZACIVSA-N 1 1 290.432 3.142 20 30 CGEDMO Cc1c(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cnn1C ZINC000336857189 376015717 /nfs/dbraw/zinc/01/57/17/376015717.db2.gz QUNNHKBOCWUZBP-ROUUACIJSA-N 1 1 294.402 3.000 20 30 CGEDMO Cc1c(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)cnn1C ZINC000336857189 376015723 /nfs/dbraw/zinc/01/57/23/376015723.db2.gz QUNNHKBOCWUZBP-ROUUACIJSA-N 1 1 294.402 3.000 20 30 CGEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000337131989 376090766 /nfs/dbraw/zinc/09/07/66/376090766.db2.gz AHABZWOVJWNGNY-GASCZTMLSA-N 1 1 264.413 3.350 20 30 CGEDMO C[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccc(F)cc1 ZINC000337140546 376097083 /nfs/dbraw/zinc/09/70/83/376097083.db2.gz UHVJPFHAKVXIPS-UHFFFAOYSA-N 1 1 290.382 3.358 20 30 CGEDMO CSCC[C@@H](C)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000337172846 376113367 /nfs/dbraw/zinc/11/33/67/376113367.db2.gz FXOYUPVARSJZRN-CQSZACIVSA-N 1 1 284.469 3.160 20 30 CGEDMO CC(C)(C)C1=CC[N@H+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000536204720 376082318 /nfs/dbraw/zinc/08/23/18/376082318.db2.gz POZSKDXYBBIXJL-UHFFFAOYSA-N 1 1 297.402 3.175 20 30 CGEDMO CC(C)(C)C1=CC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000536204720 376082323 /nfs/dbraw/zinc/08/23/23/376082323.db2.gz POZSKDXYBBIXJL-UHFFFAOYSA-N 1 1 297.402 3.175 20 30 CGEDMO C=CC[N@H+](CCOc1ccc(Cl)cc1)C1CC1 ZINC000536747582 376130138 /nfs/dbraw/zinc/13/01/38/376130138.db2.gz DOZCRISKAWIMIJ-UHFFFAOYSA-N 1 1 251.757 3.369 20 30 CGEDMO CCOC(=O)C1([N@H+](C)CCC(C)(C)C#N)CCCCC1 ZINC000537369877 376165624 /nfs/dbraw/zinc/16/56/24/376165624.db2.gz SFUUOXJJLZLIBC-UHFFFAOYSA-N 1 1 280.412 3.124 20 30 CGEDMO CCOC(=O)C1([N@@H+](C)CCC(C)(C)C#N)CCCCC1 ZINC000537369877 376165630 /nfs/dbraw/zinc/16/56/30/376165630.db2.gz SFUUOXJJLZLIBC-UHFFFAOYSA-N 1 1 280.412 3.124 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](C)Cc2cnn(CC)c2)c1 ZINC000537623621 376183104 /nfs/dbraw/zinc/18/31/04/376183104.db2.gz LJRCCKVBENSCGQ-UHFFFAOYSA-N 1 1 285.391 3.100 20 30 CGEDMO C=CCOc1cccc(C[N@H+](C)Cc2cnn(CC)c2)c1 ZINC000537623621 376183106 /nfs/dbraw/zinc/18/31/06/376183106.db2.gz LJRCCKVBENSCGQ-UHFFFAOYSA-N 1 1 285.391 3.100 20 30 CGEDMO C=C(CC)C[N@H+](CC)Cc1ccc(OC)cc1OC ZINC000538001999 376217016 /nfs/dbraw/zinc/21/70/16/376217016.db2.gz HCYMHQXBJQTPAC-UHFFFAOYSA-N 1 1 263.381 3.492 20 30 CGEDMO C=CC[N@H+]([C@H](C)c1cccc(-n2cnnn2)c1)C1CCCC1 ZINC000538967105 376283062 /nfs/dbraw/zinc/28/30/62/376283062.db2.gz XCOMHIDZQXZKIE-CQSZACIVSA-N 1 1 297.406 3.154 20 30 CGEDMO COc1ccc([C@@H](C)C[N@@H+](C[C@H](C)C#N)C2CC2)cc1 ZINC000539408527 376309567 /nfs/dbraw/zinc/30/95/67/376309567.db2.gz WAUSUKVNOCBOLS-KGLIPLIRSA-N 1 1 272.392 3.423 20 30 CGEDMO C=CC[C@H](CC)NC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000539703278 376326446 /nfs/dbraw/zinc/32/64/46/376326446.db2.gz MGASVJLEOGFURP-CABCVRRESA-N 1 1 295.471 3.151 20 30 CGEDMO C=CCc1cc(C[N@H+]2C[C@@H](C)C[C@H]2C)cc(OC)c1O ZINC000539837888 376339787 /nfs/dbraw/zinc/33/97/87/376339787.db2.gz BHXONIXLPVXZCZ-QWHCGFSZSA-N 1 1 275.392 3.360 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1[C@H](C)Cc2cc(F)ccc2[C@H]1C ZINC000539887700 376345723 /nfs/dbraw/zinc/34/57/23/376345723.db2.gz UUMBJNVNGQXWTL-IOASZLSFSA-N 1 1 277.383 3.460 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000540568818 376380818 /nfs/dbraw/zinc/38/08/18/376380818.db2.gz MNJLDFVTNDDBKX-HOTGVXAUSA-N 1 1 295.471 3.295 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000227272448 376386032 /nfs/dbraw/zinc/38/60/32/376386032.db2.gz BMZFQCMWVJJSAZ-GOEBONIOSA-N 1 1 270.376 3.331 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000338563568 376429193 /nfs/dbraw/zinc/42/91/93/376429193.db2.gz MATGTEGBTBDLGZ-NSHDSACASA-N 1 1 273.302 3.115 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C)CCCc1ccccc1Br ZINC000541347775 376441291 /nfs/dbraw/zinc/44/12/91/376441291.db2.gz OVHFTFKJJSIBIO-LBPRGKRZSA-N 1 1 295.224 3.473 20 30 CGEDMO C=CCCC[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000541699895 376473746 /nfs/dbraw/zinc/47/37/46/376473746.db2.gz OEODZLOILHSKAA-QGZVFWFLSA-N 1 1 259.393 3.286 20 30 CGEDMO C=CCOCC[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000338890679 376562596 /nfs/dbraw/zinc/56/25/96/376562596.db2.gz UTKQITUQNXDJFN-UHFFFAOYSA-N 1 1 273.298 3.340 20 30 CGEDMO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000233923484 376607901 /nfs/dbraw/zinc/60/79/01/376607901.db2.gz CWTUJRLJZOMLCY-IUODEOHRSA-N 1 1 258.365 3.330 20 30 CGEDMO C[N@@H+](Cc1ccc(CC#N)cc1)Cc1cccc(O)c1 ZINC000543207829 376619359 /nfs/dbraw/zinc/61/93/59/376619359.db2.gz USEAIJVAIKXPBZ-UHFFFAOYSA-N 1 1 266.344 3.090 20 30 CGEDMO C[C@H](CNc1cccc(F)c1C#N)[N@H+]1CCCC[C@@H]1C ZINC000339003901 376624539 /nfs/dbraw/zinc/62/45/39/376624539.db2.gz SKRLQUJCPKVFSW-QWHCGFSZSA-N 1 1 275.371 3.372 20 30 CGEDMO COc1nc2ccccc2cc1C[NH+]1CCC(C)(C#N)CC1 ZINC000543739215 376671060 /nfs/dbraw/zinc/67/10/60/376671060.db2.gz YRWUWYRRMDGAGY-UHFFFAOYSA-N 1 1 295.386 3.369 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000339436059 376756819 /nfs/dbraw/zinc/75/68/19/376756819.db2.gz CCGYLQQOIUEGCF-MRXNPFEDSA-N 1 1 250.430 3.151 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000339436059 376756831 /nfs/dbraw/zinc/75/68/31/376756831.db2.gz CCGYLQQOIUEGCF-MRXNPFEDSA-N 1 1 250.430 3.151 20 30 CGEDMO N#Cc1ccccc1OCC[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000339679571 376806884 /nfs/dbraw/zinc/80/68/84/376806884.db2.gz SISHDOIDPWZFMJ-HNNXBMFYSA-N 1 1 270.376 3.059 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@H](CC3CC3)C2)cc1C#N ZINC000339684160 376808658 /nfs/dbraw/zinc/80/86/58/376808658.db2.gz QJONXHBTKKMQKK-OAHLLOKOSA-N 1 1 270.376 3.189 20 30 CGEDMO CC#CC[N@@H+](C)[C@H](C)c1cccc(Br)c1 ZINC000555752011 376860304 /nfs/dbraw/zinc/86/03/04/376860304.db2.gz XDOSWQWIQNORDQ-LLVKDONJSA-N 1 1 266.182 3.465 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c1 ZINC000245685938 376878505 /nfs/dbraw/zinc/87/85/05/376878505.db2.gz ANORJMUSISCSGF-WMZOPIPTSA-N 1 1 287.403 3.252 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)cc1 ZINC000245741551 376896595 /nfs/dbraw/zinc/89/65/95/376896595.db2.gz LURAASCXQJMWML-HKUYNNGSSA-N 1 1 299.414 3.090 20 30 CGEDMO CC[N@@H+]1CCCC[C@H]1CN[C@H](C)c1cccc(C#N)c1 ZINC000245904156 376929351 /nfs/dbraw/zinc/92/93/51/376929351.db2.gz OINWPOJJBWXJKV-PBHICJAKSA-N 1 1 271.408 3.083 20 30 CGEDMO CC[N@H+]1CCCC[C@H]1CN[C@H](C)c1cccc(C#N)c1 ZINC000245904156 376929355 /nfs/dbraw/zinc/92/93/55/376929355.db2.gz OINWPOJJBWXJKV-PBHICJAKSA-N 1 1 271.408 3.083 20 30 CGEDMO CCC(CC)[N@@H+](CC)CCOc1ccc(C#N)cc1 ZINC000558169929 376978220 /nfs/dbraw/zinc/97/82/20/376978220.db2.gz PYMCTSOTDQJNGR-UHFFFAOYSA-N 1 1 260.381 3.448 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000246925413 377122690 /nfs/dbraw/zinc/12/26/90/377122690.db2.gz FMCABGZBRSBVPC-OIISXLGYSA-N 1 1 259.393 3.192 20 30 CGEDMO C=CC[C@@H](C)NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000246980446 377131242 /nfs/dbraw/zinc/13/12/42/377131242.db2.gz FLAXATKQSGKNCR-OWCLPIDISA-N 1 1 295.471 3.008 20 30 CGEDMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1C[C@@H](C#N)CCC#N ZINC000247079684 377154227 /nfs/dbraw/zinc/15/42/27/377154227.db2.gz ZDSWKEWXIUUBMP-IIAWOOMASA-N 1 1 285.366 3.447 20 30 CGEDMO CC[C@H](C)[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCO ZINC000561926229 377253704 /nfs/dbraw/zinc/25/37/04/377253704.db2.gz YNIUSGLTTFXNOD-ZDUSSCGKSA-N 1 1 299.336 3.150 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000340907865 377314122 /nfs/dbraw/zinc/31/41/22/377314122.db2.gz QOJWNTHYCWCMNG-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1nc(-c2ccccc2C)no1 ZINC000562554695 377329816 /nfs/dbraw/zinc/32/98/16/377329816.db2.gz YJVWHXVEJCURBQ-CFVMTHIKSA-N 1 1 299.374 3.039 20 30 CGEDMO C=CCCC[C@@H](C)[N@@H+](C)Cc1nc([C@H](C)OCC)no1 ZINC000340882019 377302127 /nfs/dbraw/zinc/30/21/27/377302127.db2.gz VUGWIRREWRSMSY-OLZOCXBDSA-N 1 1 281.400 3.344 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+](C)Cc1nc([C@H](C)OCC)no1 ZINC000340882019 377302132 /nfs/dbraw/zinc/30/21/32/377302132.db2.gz VUGWIRREWRSMSY-OLZOCXBDSA-N 1 1 281.400 3.344 20 30 CGEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)C2CC2)nc1 ZINC000562383741 377306091 /nfs/dbraw/zinc/30/60/91/377306091.db2.gz YIFSRWZVNAOKGH-UHFFFAOYSA-N 1 1 281.334 3.257 20 30 CGEDMO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)C2CC2)nc1 ZINC000562383741 377306100 /nfs/dbraw/zinc/30/61/00/377306100.db2.gz YIFSRWZVNAOKGH-UHFFFAOYSA-N 1 1 281.334 3.257 20 30 CGEDMO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCCC#N ZINC000248397134 377306071 /nfs/dbraw/zinc/30/60/71/377306071.db2.gz LEJNYRIBSCNSAM-VQFNDLOPSA-N 1 1 285.435 3.036 20 30 CGEDMO N#CC1(C[NH2+]Cc2cnc(-c3ccsc3)s2)CC1 ZINC000562384408 377306116 /nfs/dbraw/zinc/30/61/16/377306116.db2.gz MPCHBODVQVGDOI-UHFFFAOYSA-N 1 1 275.402 3.265 20 30 CGEDMO CC[C@@H](C)[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000563354932 377445548 /nfs/dbraw/zinc/44/55/48/377445548.db2.gz RQLBWZBZIVQVDU-CJNGLKHVSA-N 1 1 257.381 3.354 20 30 CGEDMO C[C@@H]1[C@@H](C)C[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000566313217 377495500 /nfs/dbraw/zinc/49/55/00/377495500.db2.gz GXHKNYYCSUMNGV-NWDGAFQWSA-N 1 1 267.294 3.397 20 30 CGEDMO C[C@H]1C[C@@H](Nc2ccc(Cl)cc2C#N)CC[N@H+]1C ZINC000090795129 249029441 /nfs/dbraw/zinc/02/94/41/249029441.db2.gz KEHIQCZKEYXSTO-GWCFXTLKSA-N 1 1 263.772 3.106 20 30 CGEDMO Cc1cccc(CC[N@H+](CCC#N)CC(C)(C)C)n1 ZINC000567761380 377509687 /nfs/dbraw/zinc/50/96/87/377509687.db2.gz FRRDNLQBHDWVGR-UHFFFAOYSA-N 1 1 259.397 3.194 20 30 CGEDMO Cc1cccc(CC[N@@H+](CCC#N)CC(C)(C)C)n1 ZINC000567761380 377509696 /nfs/dbraw/zinc/50/96/96/377509696.db2.gz FRRDNLQBHDWVGR-UHFFFAOYSA-N 1 1 259.397 3.194 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H]1CCCC[C@H]1O ZINC000569931765 377530487 /nfs/dbraw/zinc/53/04/87/377530487.db2.gz KMYNUSLMVBHFIX-ZSYWTGECSA-N 1 1 298.430 3.309 20 30 CGEDMO C=CCCCC[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000572333869 377547623 /nfs/dbraw/zinc/54/76/23/377547623.db2.gz KSHNYVYJAOIDSW-HRCADAONSA-N 1 1 267.413 3.001 20 30 CGEDMO Cc1ccnc([C@@H]2CC[N@H+](Cc3ccc(F)cc3C#N)C2)c1 ZINC000516086916 249225643 /nfs/dbraw/zinc/22/56/43/249225643.db2.gz XJCUBUFHOAQHKY-OAHLLOKOSA-N 1 1 295.361 3.390 20 30 CGEDMO Cc1ccnc([C@@H]2CC[N@@H+](Cc3ccc(F)cc3C#N)C2)c1 ZINC000516086916 249225646 /nfs/dbraw/zinc/22/56/46/249225646.db2.gz XJCUBUFHOAQHKY-OAHLLOKOSA-N 1 1 295.361 3.390 20 30 CGEDMO N#Cc1csc(C[NH2+]Cc2cc3c(s2)CCCC3)n1 ZINC000517264884 249261360 /nfs/dbraw/zinc/26/13/60/249261360.db2.gz BBHYNIXTQYNXOV-UHFFFAOYSA-N 1 1 289.429 3.245 20 30 CGEDMO C=C1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000342480941 377650937 /nfs/dbraw/zinc/65/09/37/377650937.db2.gz WOKAUTBOGAKPCS-SFHVURJKSA-N 1 1 298.430 3.220 20 30 CGEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc(OC)cn1 ZINC000342471334 377651869 /nfs/dbraw/zinc/65/18/69/377651869.db2.gz MULWQQALTJXQBT-UHFFFAOYSA-N 1 1 293.370 3.150 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(OC)cn1 ZINC000342471334 377651881 /nfs/dbraw/zinc/65/18/81/377651881.db2.gz MULWQQALTJXQBT-UHFFFAOYSA-N 1 1 293.370 3.150 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1C[C@H](C)C[C@H](C)[C@H]1C ZINC000253089174 377674087 /nfs/dbraw/zinc/67/40/87/377674087.db2.gz COAYNZSHMBDPIL-HZSPNIEDSA-N 1 1 272.392 3.433 20 30 CGEDMO N#CCc1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000342695130 377739839 /nfs/dbraw/zinc/73/98/39/377739839.db2.gz ORNWQXSWUALXKW-LJQANCHMSA-N 1 1 292.382 3.326 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000342695130 377739847 /nfs/dbraw/zinc/73/98/47/377739847.db2.gz ORNWQXSWUALXKW-LJQANCHMSA-N 1 1 292.382 3.326 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(CC#N)cc1 ZINC000342696752 377740977 /nfs/dbraw/zinc/74/09/77/377740977.db2.gz RNBOWOXYWXKENS-UHFFFAOYSA-N 1 1 275.355 3.256 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000342734084 377762361 /nfs/dbraw/zinc/76/23/61/377762361.db2.gz GWGGMPHRBYDQCH-KRWDZBQOSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)C(=O)Nc1cccc(C)c1C ZINC000342737833 377764259 /nfs/dbraw/zinc/76/42/59/377764259.db2.gz LIRAXUDDLDQVKQ-CQSZACIVSA-N 1 1 260.381 3.138 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000342743085 377769295 /nfs/dbraw/zinc/76/92/95/377769295.db2.gz YGXFHSAAUYCPFW-CQSZACIVSA-N 1 1 296.773 3.092 20 30 CGEDMO N#CC1(F)CCN(c2cc[nH+]c3ccsc32)CC1 ZINC000343232384 377934669 /nfs/dbraw/zinc/93/46/69/377934669.db2.gz CROKKCLPVWSDHX-UHFFFAOYSA-N 1 1 261.325 3.128 20 30 CGEDMO C=C(C)CC[N@@H+](CCC(=O)OC(C)(C)C)C1CCOCC1 ZINC000578527826 378078016 /nfs/dbraw/zinc/07/80/16/378078016.db2.gz RKDZIBYHRNWVLP-UHFFFAOYSA-N 1 1 297.439 3.165 20 30 CGEDMO CC1CCC([N@@H+](Cc2ccc(C#N)cn2)C2CC2)CC1 ZINC000579124399 378133134 /nfs/dbraw/zinc/13/31/34/378133134.db2.gz JRQKEBMJCKCLMD-UHFFFAOYSA-N 1 1 269.392 3.496 20 30 CGEDMO C#CCC[N@H+](Cc1cccc(C)c1)Cc1ccccn1 ZINC000268685694 378089222 /nfs/dbraw/zinc/08/92/22/378089222.db2.gz FWYGDGOJBGQKCG-UHFFFAOYSA-N 1 1 264.372 3.416 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000268676451 378089449 /nfs/dbraw/zinc/08/94/49/378089449.db2.gz VYRDKNTWMXTWAM-HOTGVXAUSA-N 1 1 263.356 3.290 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCC[C@@H]1C ZINC000579727339 378188518 /nfs/dbraw/zinc/18/85/18/378188518.db2.gz GLJUENBOLHDYCG-WFASDCNBSA-N 1 1 278.421 3.257 20 30 CGEDMO C#CC[N@@H+](CC)Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000269001705 378171404 /nfs/dbraw/zinc/17/14/04/378171404.db2.gz JYQZPOYUAPSYGP-UHFFFAOYSA-N 1 1 282.265 3.302 20 30 CGEDMO C#CC[N@H+](CC)Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000269001705 378171410 /nfs/dbraw/zinc/17/14/10/378171410.db2.gz JYQZPOYUAPSYGP-UHFFFAOYSA-N 1 1 282.265 3.302 20 30 CGEDMO C=CCC1(C(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)CCC1 ZINC000344776319 378179213 /nfs/dbraw/zinc/17/92/13/378179213.db2.gz PLTNJBVZHOCHKC-HNNXBMFYSA-N 1 1 290.451 3.066 20 30 CGEDMO C[C@]1(c2ccc(F)cc2)CC[N@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000580837972 378262775 /nfs/dbraw/zinc/26/27/75/378262775.db2.gz ODMMDVXJQHKEFP-XKQJLSEDSA-N 1 1 272.367 3.481 20 30 CGEDMO COc1cccc(C2([NH2+]Cc3ccccc3C#N)CC2)c1 ZINC000270046444 378300107 /nfs/dbraw/zinc/30/01/07/378300107.db2.gz DGVJJRMIPXZSPF-UHFFFAOYSA-N 1 1 278.355 3.346 20 30 CGEDMO C[N@H+](Cc1ccccc1C(C)(C)C#N)C[C@H]1CCC[C@H]1O ZINC000270217748 378323389 /nfs/dbraw/zinc/32/33/89/378323389.db2.gz YURAYTKOSYEYFZ-NVXWUHKLSA-N 1 1 286.419 3.081 20 30 CGEDMO CC[N@@H+](Cc1c(C)n[nH]c1C)[C@H](C)c1ccc(C#N)cc1 ZINC000271121055 378456327 /nfs/dbraw/zinc/45/63/27/378456327.db2.gz XZUODHWZPRONSJ-CQSZACIVSA-N 1 1 282.391 3.481 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000270991286 378424031 /nfs/dbraw/zinc/42/40/31/378424031.db2.gz DXQNJSYGFJUEJD-SJORKVTESA-N 1 1 275.367 3.127 20 30 CGEDMO CC(C)C[N@@H+](CCOCC(F)F)Cc1ccc(C#N)cc1 ZINC000346270076 378526611 /nfs/dbraw/zinc/52/66/11/378526611.db2.gz WDSPVTKLEOXRBF-UHFFFAOYSA-N 1 1 296.361 3.298 20 30 CGEDMO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(F)cn1 ZINC000272202132 378583245 /nfs/dbraw/zinc/58/32/45/378583245.db2.gz JEJNEJYVNSKSBX-LBPRGKRZSA-N 1 1 281.334 3.432 20 30 CGEDMO C[C@H](NCC[N@@H+]1CCCC[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000271964910 378532220 /nfs/dbraw/zinc/53/22/20/378532220.db2.gz VCHQAHFBMQOCCT-KGLIPLIRSA-N 1 1 289.398 3.222 20 30 CGEDMO C[C@H](NCC[N@H+]1CCCC[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000271964910 378532223 /nfs/dbraw/zinc/53/22/23/378532223.db2.gz VCHQAHFBMQOCCT-KGLIPLIRSA-N 1 1 289.398 3.222 20 30 CGEDMO C[N@H+](CCOc1ccc(C(F)(F)F)cc1)CC1(C#N)CC1 ZINC000346473616 378589093 /nfs/dbraw/zinc/58/90/93/378589093.db2.gz RESYJOSVAJGONT-UHFFFAOYSA-N 1 1 298.308 3.320 20 30 CGEDMO C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)CC1(C#N)CC1 ZINC000346473616 378589101 /nfs/dbraw/zinc/58/91/01/378589101.db2.gz RESYJOSVAJGONT-UHFFFAOYSA-N 1 1 298.308 3.320 20 30 CGEDMO N#CCCC[NH2+][C@H](c1cccnc1)c1ccc(F)cc1F ZINC000346804501 378689565 /nfs/dbraw/zinc/68/95/65/378689565.db2.gz XQJNNWYRVDXFAJ-MRXNPFEDSA-N 1 1 287.313 3.343 20 30 CGEDMO CCC1(CC)C[N@@H+](Cc2ccc(C#N)o2)CCS1 ZINC000274345990 378815416 /nfs/dbraw/zinc/81/54/16/378815416.db2.gz JKBFUVQQOYDQSM-UHFFFAOYSA-N 1 1 264.394 3.259 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000275112827 378937638 /nfs/dbraw/zinc/93/76/38/378937638.db2.gz WQOKJXDQKOOQRI-BBRMVZONSA-N 1 1 258.365 3.120 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000347088704 218117949 /nfs/dbraw/zinc/11/79/49/218117949.db2.gz ODYWADLISQAGBM-KBXCAEBGSA-N 1 1 293.370 3.168 20 30 CGEDMO C=CCC[N@@H+](C)Cc1cc(C#N)ccc1Br ZINC000276886716 379013361 /nfs/dbraw/zinc/01/33/61/379013361.db2.gz JLRFBQOMOUMIAY-UHFFFAOYSA-N 1 1 279.181 3.329 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc(C#N)ccc1Br ZINC000276886716 379013366 /nfs/dbraw/zinc/01/33/66/379013366.db2.gz JLRFBQOMOUMIAY-UHFFFAOYSA-N 1 1 279.181 3.329 20 30 CGEDMO CCCCCCCC(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC000371520203 379164850 /nfs/dbraw/zinc/16/48/50/379164850.db2.gz QXZVAULXQYLKNE-UHFFFAOYSA-N 1 1 280.456 3.434 20 30 CGEDMO CCC[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)CC(C)C ZINC000266543062 190265292 /nfs/dbraw/zinc/26/52/92/190265292.db2.gz QXOCQTBEZFHBQX-UHFFFAOYSA-N 1 1 298.390 3.476 20 30 CGEDMO CC[C@@H]([NH2+][C@H](C)Cc1cc(C)[nH]n1)c1ccc(C#N)cc1 ZINC000278887935 194196836 /nfs/dbraw/zinc/19/68/36/194196836.db2.gz YIWUMKJSTHOVBB-SJKOYZFVSA-N 1 1 282.391 3.262 20 30 CGEDMO COC(=O)c1coc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)c1 ZINC000278229091 379324341 /nfs/dbraw/zinc/32/43/41/379324341.db2.gz KEIFXJPKSSCAKF-RYUDHWBXSA-N 1 1 298.342 3.350 20 30 CGEDMO N#Cc1cccc(OCC[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000278951876 194226474 /nfs/dbraw/zinc/22/64/74/194226474.db2.gz YVQZWTUPEXECDV-ZDUSSCGKSA-N 1 1 298.308 3.211 20 30 CGEDMO N#Cc1c(C[N@H+]2CC[C@@H](c3ccco3)C2)cn2ccccc12 ZINC000374002780 379358661 /nfs/dbraw/zinc/35/86/61/379358661.db2.gz NHDXBZOUCGXSEN-CQSZACIVSA-N 1 1 291.354 3.393 20 30 CGEDMO N#Cc1cccc(OCC[N@H+]2CC[C@H](c3ccco3)C2)c1 ZINC000374003813 379360022 /nfs/dbraw/zinc/36/00/22/379360022.db2.gz RZQSUOMCNCSLTD-HNNXBMFYSA-N 1 1 282.343 3.020 20 30 CGEDMO C[N@@H+](CC(=O)Nc1cccc(F)c1)CC(C)(C)CCC#N ZINC000350101605 379508524 /nfs/dbraw/zinc/50/85/24/379508524.db2.gz YEMAOERMYSBYFA-UHFFFAOYSA-N 1 1 291.370 3.026 20 30 CGEDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2CCCCC(C)(C)C#N ZINC000375785531 379509461 /nfs/dbraw/zinc/50/94/61/379509461.db2.gz AZUWBFCYJXAJAP-ZVDSWSACSA-N 1 1 276.424 3.062 20 30 CGEDMO C=CCC[C@@H](CC)[NH2+]C1CC(N2CCCCC2)C1 ZINC000376029522 379520537 /nfs/dbraw/zinc/52/05/37/379520537.db2.gz OQKZRJGFIWPXPP-QQFBHYJXSA-N 1 1 250.430 3.338 20 30 CGEDMO CC[N@@H+](CCC1OCCCO1)[C@H](C)c1ccc(C#N)cc1 ZINC000267069024 190301122 /nfs/dbraw/zinc/30/11/22/190301122.db2.gz OAYXDKSYEUFOBD-CQSZACIVSA-N 1 1 288.391 3.094 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000267142028 190306684 /nfs/dbraw/zinc/30/66/84/190306684.db2.gz IUDGPGCTNDEQJP-OAHLLOKOSA-N 1 1 287.407 3.007 20 30 CGEDMO C[C@@H]1CC[C@@H]([N@@H+](CCO)CCCCC(C)(C)C#N)C1 ZINC000351638956 379733801 /nfs/dbraw/zinc/73/38/01/379733801.db2.gz YUFNEXRMOGZJSD-HUUCEWRRSA-N 1 1 266.429 3.189 20 30 CGEDMO CC[C@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)CCCO1 ZINC000281367053 379831692 /nfs/dbraw/zinc/83/16/92/379831692.db2.gz LMKZKQAJMLRXCX-INIZCTEOSA-N 1 1 277.795 3.192 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000193408094 542272609 /nfs/dbraw/zinc/27/26/09/542272609.db2.gz RDKDQGLSPQVZAY-MRXNPFEDSA-N 1 1 260.381 3.281 20 30 CGEDMO Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)nn1C ZINC000282097650 379852744 /nfs/dbraw/zinc/85/27/44/379852744.db2.gz IMNQKMNYFBKKBF-CHWSQXEVSA-N 1 1 268.364 3.012 20 30 CGEDMO CCOC[C@@H]1CCCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000399247504 379937553 /nfs/dbraw/zinc/93/75/53/379937553.db2.gz KRSMCDSVWBQVSZ-KRWDZBQOSA-N 1 1 272.392 3.144 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cnc2n[nH]c(C)c2c1 ZINC000352932889 380047553 /nfs/dbraw/zinc/04/75/53/380047553.db2.gz RNTVMVQFZUISFD-UHFFFAOYSA-N 1 1 296.374 3.090 20 30 CGEDMO C[N@@H+](CCC1(C#N)CCCCC1)C[C@H]1CCCOC1 ZINC000411267800 380135423 /nfs/dbraw/zinc/13/54/23/380135423.db2.gz CIPAXZJRAKEEKO-OAHLLOKOSA-N 1 1 264.413 3.209 20 30 CGEDMO CCC[N@@H+](CCC1(C#N)CCCCC1)CC(C)(C)O ZINC000411242130 380136306 /nfs/dbraw/zinc/13/63/06/380136306.db2.gz WCRAWRABHPMVHC-UHFFFAOYSA-N 1 1 266.429 3.333 20 30 CGEDMO N#CC1(CC[N@@H+]2CCCC[C@@H]2CCO)CCCCC1 ZINC000411220448 380136441 /nfs/dbraw/zinc/13/64/41/380136441.db2.gz FVYTXBZLDDEXAV-OAHLLOKOSA-N 1 1 264.413 3.087 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)C[C@](C)(O)C(F)(F)F ZINC000411197734 380133393 /nfs/dbraw/zinc/13/33/93/380133393.db2.gz WJWASVGNTLMHOX-AWEZNQCLSA-N 1 1 287.325 3.030 20 30 CGEDMO C=CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)c1cnc(C)cn1 ZINC000411199510 380133569 /nfs/dbraw/zinc/13/35/69/380133569.db2.gz ZRPRHTJPUOZXPJ-OAHLLOKOSA-N 1 1 292.386 3.406 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)c1cnc(C)cn1 ZINC000411199510 380133579 /nfs/dbraw/zinc/13/35/79/380133579.db2.gz ZRPRHTJPUOZXPJ-OAHLLOKOSA-N 1 1 292.386 3.406 20 30 CGEDMO CCC[N@@H+]1CCC[C@@H]1CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353582657 380212369 /nfs/dbraw/zinc/21/23/69/380212369.db2.gz SKGHKJXULHLJDJ-SJLPKXTDSA-N 1 1 283.419 3.010 20 30 CGEDMO CCC[N@H+]1CCC[C@@H]1CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353582657 380212370 /nfs/dbraw/zinc/21/23/70/380212370.db2.gz SKGHKJXULHLJDJ-SJLPKXTDSA-N 1 1 283.419 3.010 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2C[C@H](C)[C@H](C)C2)cc1OC ZINC000353913468 380229698 /nfs/dbraw/zinc/22/96/98/380229698.db2.gz GNXLWVPSFVIVBG-OKILXGFUSA-N 1 1 275.392 3.348 20 30 CGEDMO C[N@H+](Cc1cccc2cccnc21)CC(C)(C)C#N ZINC000354017563 380280897 /nfs/dbraw/zinc/28/08/97/380280897.db2.gz KXVZKFDWFHLSMJ-UHFFFAOYSA-N 1 1 253.349 3.216 20 30 CGEDMO C[N@@H+](Cc1cccc2cccnc21)CC(C)(C)C#N ZINC000354017563 380280904 /nfs/dbraw/zinc/28/09/04/380280904.db2.gz KXVZKFDWFHLSMJ-UHFFFAOYSA-N 1 1 253.349 3.216 20 30 CGEDMO CC[C@@H]1CCCC[N@H+]1CCNc1nc2c(cc1C#N)CCC2 ZINC000354605780 380502481 /nfs/dbraw/zinc/50/24/81/380502481.db2.gz CPIWEATYKWHBHL-MRXNPFEDSA-N 1 1 298.434 3.118 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000644960846 380555367 /nfs/dbraw/zinc/55/53/67/380555367.db2.gz VLNQXPUEHYOLMS-ZBFHGGJFSA-N 1 1 261.409 3.069 20 30 CGEDMO C=CC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000355738214 380764639 /nfs/dbraw/zinc/76/46/39/380764639.db2.gz IGYBADIPABPHTR-GOSISDBHSA-N 1 1 270.420 3.161 20 30 CGEDMO C=CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000355738214 380764642 /nfs/dbraw/zinc/76/46/42/380764642.db2.gz IGYBADIPABPHTR-GOSISDBHSA-N 1 1 270.420 3.161 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000355738214 380764645 /nfs/dbraw/zinc/76/46/45/380764645.db2.gz IGYBADIPABPHTR-GOSISDBHSA-N 1 1 270.420 3.161 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000355738214 380764647 /nfs/dbraw/zinc/76/46/47/380764647.db2.gz IGYBADIPABPHTR-GOSISDBHSA-N 1 1 270.420 3.161 20 30 CGEDMO CCc1cc(NCC2(C#N)CCC2)c2ccccc2[nH+]1 ZINC000419030034 380765902 /nfs/dbraw/zinc/76/59/02/380765902.db2.gz ZSAOYOUVLQRZGR-UHFFFAOYSA-N 1 1 265.360 3.325 20 30 CGEDMO C=CC[N@@H+](CCC[C@@H]1CCOC1)CCc1ccco1 ZINC000645848609 380751809 /nfs/dbraw/zinc/75/18/09/380751809.db2.gz YSJOLGOZBAJDFV-OAHLLOKOSA-N 1 1 263.381 3.127 20 30 CGEDMO CO[C@H](CC(C)C)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000419184695 380776692 /nfs/dbraw/zinc/77/66/92/380776692.db2.gz DCWJOQBYHOFZPX-MRXNPFEDSA-N 1 1 260.381 3.051 20 30 CGEDMO C[N@@H+](CCOCCC#N)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419330184 380805638 /nfs/dbraw/zinc/80/56/38/380805638.db2.gz HRRAZTJQPDUMAK-KGLIPLIRSA-N 1 1 252.402 3.063 20 30 CGEDMO CC[N@@H+](CCOc1ccccc1C)[C@H]1CC[C@H](C#N)C1 ZINC000420970762 380866870 /nfs/dbraw/zinc/86/68/70/380866870.db2.gz GPBYIFGXTUQNPG-HOTGVXAUSA-N 1 1 272.392 3.388 20 30 CGEDMO CC[N@@H+](CCOc1ccccc1C)[C@H]1CC[C@@H](C#N)C1 ZINC000420970759 380867480 /nfs/dbraw/zinc/86/74/80/380867480.db2.gz GPBYIFGXTUQNPG-CVEARBPZSA-N 1 1 272.392 3.388 20 30 CGEDMO N#CC1(CC[N@@H+]2CCC[C@H](CCO)CC2)CCCCC1 ZINC000421016009 380869700 /nfs/dbraw/zinc/86/97/00/380869700.db2.gz LYLNDVCZFOEJPQ-INIZCTEOSA-N 1 1 278.440 3.335 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC000420923591 380860653 /nfs/dbraw/zinc/86/06/53/380860653.db2.gz IDGFRHBSDJUQOZ-OLZOCXBDSA-N 1 1 253.386 3.005 20 30 CGEDMO CC[C@H]1C[C@H](C[N@@H+](C)Cc2ccc(C#N)cc2)CCO1 ZINC000356895241 380925249 /nfs/dbraw/zinc/92/52/49/380925249.db2.gz TUYZLMRIHVUERP-SJORKVTESA-N 1 1 272.392 3.195 20 30 CGEDMO CCCC[N@H+]1CCCC[C@H]1CNc1cccnc1C#N ZINC000357222085 381073375 /nfs/dbraw/zinc/07/33/75/381073375.db2.gz PLRCEQUTKVHOOI-AWEZNQCLSA-N 1 1 272.396 3.020 20 30 CGEDMO C=CC[N@H+](CCC(=O)Nc1ccccc1Cl)C1CC1 ZINC000357530684 381197015 /nfs/dbraw/zinc/19/70/15/381197015.db2.gz MSAYQTSDMSMELR-UHFFFAOYSA-N 1 1 278.783 3.319 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000358496819 381312174 /nfs/dbraw/zinc/31/21/74/381312174.db2.gz JNAHTGCPVGGWGK-OAHLLOKOSA-N 1 1 287.407 3.007 20 30 CGEDMO CCC[N@H+]1CCC[C@H]1CNc1nc(C)c(C#N)cc1Cl ZINC000359966676 381390896 /nfs/dbraw/zinc/39/08/96/381390896.db2.gz ASCVXHDEPJTCQZ-ZDUSSCGKSA-N 1 1 292.814 3.201 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1C#N ZINC000361551914 381798462 /nfs/dbraw/zinc/79/84/62/381798462.db2.gz XTEBYPHOJASZMW-HOCLYGCPSA-N 1 1 257.381 3.051 20 30 CGEDMO Oc1ccc2c(c1)C1(CC1)C[N@@H+](CC#Cc1ccccc1)C2 ZINC000361572498 381813703 /nfs/dbraw/zinc/81/37/03/381813703.db2.gz DVDRUXRSJDSPIK-UHFFFAOYSA-N 1 1 289.378 3.291 20 30 CGEDMO Oc1ccc2c(c1)C1(CC1)C[N@H+](CC#Cc1ccccc1)C2 ZINC000361572498 381813706 /nfs/dbraw/zinc/81/37/06/381813706.db2.gz DVDRUXRSJDSPIK-UHFFFAOYSA-N 1 1 289.378 3.291 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C#N)s1)[C@H]1CC[C@H](C)C1 ZINC000361639414 381848461 /nfs/dbraw/zinc/84/84/61/381848461.db2.gz ONGFPHLPPGVROM-STQMWFEESA-N 1 1 278.421 3.257 20 30 CGEDMO COCC[N@@H+](CC(C)(C)CCC#N)[C@@H]1CC[C@@H](C)C1 ZINC000361640149 381850790 /nfs/dbraw/zinc/85/07/90/381850790.db2.gz SCAINSRUULSLAZ-HUUCEWRRSA-N 1 1 266.429 3.453 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1c(C)oc2ccccc21 ZINC000361646929 381858341 /nfs/dbraw/zinc/85/83/41/381858341.db2.gz JEWZQTVSWSNPLK-UHFFFAOYSA-N 1 1 259.349 3.376 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@@](C)(CC)C1 ZINC000362383774 381967394 /nfs/dbraw/zinc/96/73/94/381967394.db2.gz BNOSSPBWUBROAP-NVXWUHKLSA-N 1 1 278.440 3.088 20 30 CGEDMO CC[C@]1(C)CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000362389579 381971187 /nfs/dbraw/zinc/97/11/87/381971187.db2.gz APPFSNHYPSOSAA-GOSISDBHSA-N 1 1 299.418 3.399 20 30 CGEDMO CCSCC[C@@H](C)[N@@H+](C)CCOc1ccccc1C#N ZINC000362464056 382004745 /nfs/dbraw/zinc/00/47/45/382004745.db2.gz MREGQDMCBTVZLX-CQSZACIVSA-N 1 1 292.448 3.401 20 30 CGEDMO C[N@H+]1CCCC12CCN(c1cc(Cl)ccc1C#N)CC2 ZINC000364642041 382274111 /nfs/dbraw/zinc/27/41/11/382274111.db2.gz ZFCORCVUAXCPOV-UHFFFAOYSA-N 1 1 289.810 3.276 20 30 CGEDMO C#CCCCCC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000366726206 382316728 /nfs/dbraw/zinc/31/67/28/382316728.db2.gz WFRJKHIAENFZJD-QGZVFWFLSA-N 1 1 290.451 3.093 20 30 CGEDMO COC[C@@H]1CCCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000368660286 382380399 /nfs/dbraw/zinc/38/03/99/382380399.db2.gz RIIAHKMQRUEDCO-MRXNPFEDSA-N 1 1 291.822 3.440 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)ccc1F ZINC000335379118 208319572 /nfs/dbraw/zinc/31/95/72/208319572.db2.gz JNLKLNGNNGDTEN-PBHICJAKSA-N 1 1 288.366 3.088 20 30 CGEDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc(C#N)s1 ZINC000289241238 197271910 /nfs/dbraw/zinc/27/19/10/197271910.db2.gz DSRDUALPBOQSHK-CHWSQXEVSA-N 1 1 278.421 3.135 20 30 CGEDMO CC(C)c1nc([C@@H]2CCC[N@H+]([C@H]3CC[C@@H](C#N)C3)C2)no1 ZINC000328719105 542445532 /nfs/dbraw/zinc/44/55/32/542445532.db2.gz GCPFNNQWFMCVDZ-MCIONIFRSA-N 1 1 288.395 3.065 20 30 CGEDMO C=CC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000111256922 262258525 /nfs/dbraw/zinc/25/85/25/262258525.db2.gz FDLANGGUQPBTIM-UHFFFAOYSA-N 1 1 252.339 3.054 20 30 CGEDMO COc1ccc(C[N@H+](C[C@H](C)C#N)C2CC2)cc1C ZINC000354032440 262283515 /nfs/dbraw/zinc/28/35/15/262283515.db2.gz ADCBJLWPMJLTTD-GFCCVEGCSA-N 1 1 258.365 3.128 20 30 CGEDMO COc1ccc(C[N@@H+](C[C@H](C)C#N)C2CC2)cc1C ZINC000354032440 262283517 /nfs/dbraw/zinc/28/35/17/262283517.db2.gz ADCBJLWPMJLTTD-GFCCVEGCSA-N 1 1 258.365 3.128 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000157688479 533270748 /nfs/dbraw/zinc/27/07/48/533270748.db2.gz GQAQCZJGUHPUNS-MRXNPFEDSA-N 1 1 281.359 3.232 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000157688479 533270756 /nfs/dbraw/zinc/27/07/56/533270756.db2.gz GQAQCZJGUHPUNS-MRXNPFEDSA-N 1 1 281.359 3.232 20 30 CGEDMO CO[C@@H](C)C[N@@H+](Cc1ccc(C#N)cc1Cl)C(C)C ZINC000439451752 533330610 /nfs/dbraw/zinc/33/06/10/533330610.db2.gz MKOJVUAAXXVJPA-LBPRGKRZSA-N 1 1 280.799 3.457 20 30 CGEDMO C[C@@H]([NH2+]Cc1cccnc1N(C)C)c1ccc(C#N)cc1F ZINC000358557909 533461294 /nfs/dbraw/zinc/46/12/94/533461294.db2.gz NYXPOZBLGKCZDA-GFCCVEGCSA-N 1 1 298.365 3.009 20 30 CGEDMO C[C@@H](c1cc(F)ccc1F)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191227339 130205141 /nfs/dbraw/zinc/20/51/41/130205141.db2.gz YLLMIQWSCOEFRW-NSHDSACASA-N 1 1 289.329 3.368 20 30 CGEDMO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191227339 130205144 /nfs/dbraw/zinc/20/51/44/130205144.db2.gz YLLMIQWSCOEFRW-NSHDSACASA-N 1 1 289.329 3.368 20 30 CGEDMO C[C@H](C[N@@H+](C)CC#Cc1ccccc1)c1nccs1 ZINC000192175958 130389272 /nfs/dbraw/zinc/38/92/72/130389272.db2.gz ATYAYMUADLIFHQ-CQSZACIVSA-N 1 1 270.401 3.230 20 30 CGEDMO C[N@@H+](CCOc1ccccc1C#N)CC1CCCCC1 ZINC000048554238 392003559 /nfs/dbraw/zinc/00/35/59/392003559.db2.gz BSRULSMZGGDXDW-UHFFFAOYSA-N 1 1 272.392 3.449 20 30 CGEDMO C[N@@H+](CCOc1ccc(C#N)cc1)C(C1CC1)C1CC1 ZINC000050989547 392067834 /nfs/dbraw/zinc/06/78/34/392067834.db2.gz ZRXMVNSOTDSXEG-UHFFFAOYSA-N 1 1 270.376 3.057 20 30 CGEDMO C[N@@H+](CCc1cccs1)Cc1cccc(C#N)c1 ZINC000063755563 392138012 /nfs/dbraw/zinc/13/80/12/392138012.db2.gz GWPPNKCPHOXAAA-UHFFFAOYSA-N 1 1 256.374 3.294 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C)o1)CC(C)(C)CCC#N ZINC000093707322 392238990 /nfs/dbraw/zinc/23/89/90/392238990.db2.gz RTAINZRFVWZOTO-UHFFFAOYSA-N 1 1 278.396 3.366 20 30 CGEDMO C=C(Cl)CN1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282170015 392283179 /nfs/dbraw/zinc/28/31/79/392283179.db2.gz UZIZZBBURQQPAU-ZDUSSCGKSA-N 1 1 279.815 3.151 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000282731636 392295962 /nfs/dbraw/zinc/29/59/62/392295962.db2.gz DOGQKXDDQCHCHX-UHFFFAOYSA-N 1 1 269.392 3.403 20 30 CGEDMO N#Cc1cccc(OCC[N@@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000107802354 392328730 /nfs/dbraw/zinc/32/87/30/392328730.db2.gz OUDNJOGUPCTDCP-ZDUSSCGKSA-N 1 1 298.308 3.211 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+]1CCc2cc(C)ccc2C1 ZINC000361841016 392340565 /nfs/dbraw/zinc/34/05/65/392340565.db2.gz ATPCLKHTQVDIHM-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCc2cc(C)ccc2C1 ZINC000361841016 392340568 /nfs/dbraw/zinc/34/05/68/392340568.db2.gz ATPCLKHTQVDIHM-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000286643673 392385774 /nfs/dbraw/zinc/38/57/74/392385774.db2.gz NCEWJPCHBOHBKF-QGZVFWFLSA-N 1 1 292.423 3.162 20 30 CGEDMO Cc1oc(NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C)c(C#N)c1C ZINC000263718895 131315629 /nfs/dbraw/zinc/31/56/29/131315629.db2.gz AVIXGUSGKJTTAE-NSHDSACASA-N 1 1 291.395 3.073 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000121206545 392411363 /nfs/dbraw/zinc/41/13/63/392411363.db2.gz RXPIYJIWLIULQA-INIZCTEOSA-N 1 1 297.402 3.354 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)c1 ZINC000121206545 392411366 /nfs/dbraw/zinc/41/13/66/392411366.db2.gz RXPIYJIWLIULQA-INIZCTEOSA-N 1 1 297.402 3.354 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccncc2)cc1 ZINC000289657239 392427846 /nfs/dbraw/zinc/42/78/46/392427846.db2.gz CNMVVZBCXPJEQM-GOSISDBHSA-N 1 1 262.356 3.400 20 30 CGEDMO Cc1cnn([C@H]2CC[N@H+]([C@@H](C)c3ccc(C#N)cc3)C2)c1 ZINC000290030027 392439746 /nfs/dbraw/zinc/43/97/46/392439746.db2.gz VSPWCIQHOKJTNU-YOEHRIQHSA-N 1 1 280.375 3.071 20 30 CGEDMO C#Cc1ccc(C[NH2+]C(C)(C)c2ncc(C)s2)cc1 ZINC000290333477 392444859 /nfs/dbraw/zinc/44/48/59/392444859.db2.gz KKJRTLCMLORPDV-UHFFFAOYSA-N 1 1 270.401 3.458 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)Nc1cccc2c1N=S=N2 ZINC000121085715 392406331 /nfs/dbraw/zinc/40/63/31/392406331.db2.gz CNZYJYPWMJAQAF-UHFFFAOYSA-N 1 1 290.392 3.250 20 30 CGEDMO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1cccc(Cl)c1 ZINC000121004462 392407354 /nfs/dbraw/zinc/40/73/54/392407354.db2.gz SOOIWWSJTBQIEJ-NWDGAFQWSA-N 1 1 261.756 3.434 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1c(C)nn(C)c1C ZINC000155003504 392538640 /nfs/dbraw/zinc/53/86/40/392538640.db2.gz XXXLMLSQCZBGIL-UHFFFAOYSA-N 1 1 283.419 3.268 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCOC(C)(C)C1 ZINC000291621911 392471146 /nfs/dbraw/zinc/47/11/46/392471146.db2.gz RSNCUCREGBKAJD-LBPRGKRZSA-N 1 1 278.421 3.399 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000374179507 392671323 /nfs/dbraw/zinc/67/13/23/392671323.db2.gz UCKDDDLNXYSNOR-YXCITZCRSA-N 1 1 257.805 3.000 20 30 CGEDMO CC[N@@H+](CCCSCC#N)[C@H](C)c1cccc(O)c1 ZINC000178374200 392677689 /nfs/dbraw/zinc/67/76/89/392677689.db2.gz CJMAOCGEUNNUMH-CYBMUJFWSA-N 1 1 278.421 3.422 20 30 CGEDMO C[N@@H+](CCCSCC#N)CCc1ccc(Cl)cc1 ZINC000173893964 392630538 /nfs/dbraw/zinc/63/05/38/392630538.db2.gz MDVIJJHLKVPZSS-UHFFFAOYSA-N 1 1 282.840 3.461 20 30 CGEDMO N#CC1(c2ccccn2)CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000334215368 392712325 /nfs/dbraw/zinc/71/23/25/392712325.db2.gz GSUDBRUOHWTNIG-UHFFFAOYSA-N 1 1 295.361 3.278 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)Cc1cn2c(n1)CCCC2 ZINC000375939758 392844513 /nfs/dbraw/zinc/84/45/13/392844513.db2.gz BOQFRWVBMSEYGX-AWEZNQCLSA-N 1 1 294.402 3.284 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1cn2c(n1)CCCC2 ZINC000375939758 392844519 /nfs/dbraw/zinc/84/45/19/392844519.db2.gz BOQFRWVBMSEYGX-AWEZNQCLSA-N 1 1 294.402 3.284 20 30 CGEDMO C=CC[N@H+](CCOC)C[C@@H](OC)c1ccc(Cl)cc1 ZINC000338361288 392912517 /nfs/dbraw/zinc/91/25/17/392912517.db2.gz QUQSSBAGMBJFOF-OAHLLOKOSA-N 1 1 283.799 3.162 20 30 CGEDMO N#C[C@H]1CCC[C@@H](Nc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000193097833 392870089 /nfs/dbraw/zinc/87/00/89/392870089.db2.gz OPYTYQDPENOCLR-DOTOQJQBSA-N 1 1 299.418 3.013 20 30 CGEDMO N#CCCOCC[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000338913380 392933684 /nfs/dbraw/zinc/93/36/84/392933684.db2.gz HNVKTIWXQDDGAS-KRWDZBQOSA-N 1 1 272.392 3.014 20 30 CGEDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459399822 392944093 /nfs/dbraw/zinc/94/40/93/392944093.db2.gz AXRSGISCSUQFQH-BXUZGUMPSA-N 1 1 273.336 3.087 20 30 CGEDMO C=CCOCC[N@@H+]1CCSC[C@@H]1c1ccc(C)cc1 ZINC000338995343 392939017 /nfs/dbraw/zinc/93/90/17/392939017.db2.gz FYEVYWWPWHXQRW-MRXNPFEDSA-N 1 1 277.433 3.288 20 30 CGEDMO C=CCOCC[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000339019132 392941761 /nfs/dbraw/zinc/94/17/61/392941761.db2.gz RZKZDTYGRQKAQE-UHFFFAOYSA-N 1 1 289.297 3.220 20 30 CGEDMO C[C@H]1CC[C@@H]([N@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459436013 392943730 /nfs/dbraw/zinc/94/37/30/392943730.db2.gz YHSGAAATZKERTN-WCQYABFASA-N 1 1 273.336 3.087 20 30 CGEDMO C[C@H]1CC[C@@H]([N@@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459436013 392943734 /nfs/dbraw/zinc/94/37/34/392943734.db2.gz YHSGAAATZKERTN-WCQYABFASA-N 1 1 273.336 3.087 20 30 CGEDMO C=CCOCC[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000339084850 392947432 /nfs/dbraw/zinc/94/74/32/392947432.db2.gz GOPLVFFNIDPPSJ-ZDUSSCGKSA-N 1 1 272.348 3.195 20 30 CGEDMO CCOC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000404057802 392962229 /nfs/dbraw/zinc/96/22/29/392962229.db2.gz HCFVGCWWZWWHHN-HNNXBMFYSA-N 1 1 276.355 3.088 20 30 CGEDMO CO[C@@H]1CC[N@@H+](CCC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000411691735 392983419 /nfs/dbraw/zinc/98/34/19/392983419.db2.gz IDQMPZFQGIRXQX-LSDHHAIUSA-N 1 1 264.413 3.350 20 30 CGEDMO CC(C)[N@@H+](CCC1(C#N)CCCCC1)[C@@H]1CCOC1 ZINC000411750093 392986224 /nfs/dbraw/zinc/98/62/24/392986224.db2.gz XNKQEBIJSMDNJR-OAHLLOKOSA-N 1 1 264.413 3.350 20 30 CGEDMO C[C@H](CCC#N)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000411740527 392986448 /nfs/dbraw/zinc/98/64/48/392986448.db2.gz CCIUJJFZDHKOLR-BHIYHBOVSA-N 1 1 297.446 3.133 20 30 CGEDMO C[C@H](CCC#N)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000411740527 392986454 /nfs/dbraw/zinc/98/64/54/392986454.db2.gz CCIUJJFZDHKOLR-BHIYHBOVSA-N 1 1 297.446 3.133 20 30 CGEDMO C[C@H](CCC#N)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000411740527 392986459 /nfs/dbraw/zinc/98/64/59/392986459.db2.gz CCIUJJFZDHKOLR-BHIYHBOVSA-N 1 1 297.446 3.133 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000411740527 392986463 /nfs/dbraw/zinc/98/64/63/392986463.db2.gz CCIUJJFZDHKOLR-BHIYHBOVSA-N 1 1 297.446 3.133 20 30 CGEDMO C[C@H](CCC#N)[N@@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000411740527 392986468 /nfs/dbraw/zinc/98/64/68/392986468.db2.gz CCIUJJFZDHKOLR-BHIYHBOVSA-N 1 1 297.446 3.133 20 30 CGEDMO N#CCC[NH2+][C@@H](c1ccccc1)C1(CO)CCCCC1 ZINC000412009327 392992680 /nfs/dbraw/zinc/99/26/80/392992680.db2.gz MLTVPRLHDILWGU-INIZCTEOSA-N 1 1 272.392 3.174 20 30 CGEDMO C[C@@H]1CC(C)(C)C[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000412034270 392995557 /nfs/dbraw/zinc/99/55/57/392995557.db2.gz DUFRDDIOEUDPKZ-OAHLLOKOSA-N 1 1 299.418 3.054 20 30 CGEDMO CC[C@@H](C)[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000533426370 392996719 /nfs/dbraw/zinc/99/67/19/392996719.db2.gz JFTIUAQBYIBYFC-PBHICJAKSA-N 1 1 299.418 3.397 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCCc2ccccc2C1 ZINC000346216503 393080106 /nfs/dbraw/zinc/08/01/06/393080106.db2.gz SLDMYWPULOSOIO-INIZCTEOSA-N 1 1 298.430 3.024 20 30 CGEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ccc(C#N)cn2)C1 ZINC000265099231 393165530 /nfs/dbraw/zinc/16/55/30/393165530.db2.gz XBOOWKSDVGUOQC-DOTOQJQBSA-N 1 1 298.434 3.044 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@@]1(C)CCCO ZINC000349179697 393140529 /nfs/dbraw/zinc/14/05/29/393140529.db2.gz CEUQSBQADIDCND-SFHVURJKSA-N 1 1 289.419 3.378 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1 ZINC000350223385 393158098 /nfs/dbraw/zinc/15/80/98/393158098.db2.gz RXFATJGAGHZILR-RVKKMQEKSA-N 1 1 283.419 3.400 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)c1cccnc1 ZINC000352807629 393209308 /nfs/dbraw/zinc/20/93/08/393209308.db2.gz WUSKQLGYFHNILP-CQSZACIVSA-N 1 1 286.375 3.306 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)c1cccnc1 ZINC000352807629 393209309 /nfs/dbraw/zinc/20/93/09/393209309.db2.gz WUSKQLGYFHNILP-CQSZACIVSA-N 1 1 286.375 3.306 20 30 CGEDMO CC[C@H](N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(C#N)cc1 ZINC000278315026 393317673 /nfs/dbraw/zinc/31/76/73/393317673.db2.gz UIWAOHNOEBDYIK-RCCFBDPRSA-N 1 1 283.419 3.226 20 30 CGEDMO CC[C@H]([NH2+][C@@H]1CCN2CCCC[C@H]12)c1ccc(C#N)cc1 ZINC000278315026 393317680 /nfs/dbraw/zinc/31/76/80/393317680.db2.gz UIWAOHNOEBDYIK-RCCFBDPRSA-N 1 1 283.419 3.226 20 30 CGEDMO COC[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356210448 393382215 /nfs/dbraw/zinc/38/22/15/393382215.db2.gz FGEWOCLHHQLLLK-GFCCVEGCSA-N 1 1 298.308 3.045 20 30 CGEDMO C=C(C)CN(C)Cc1cncc(C[N@H+](C)CC(=C)C)c1 ZINC000649416290 393416853 /nfs/dbraw/zinc/41/68/53/393416853.db2.gz DWLUQNIOFGMVHX-UHFFFAOYSA-N 1 1 273.424 3.097 20 30 CGEDMO C=C(C)CN(C)Cc1cncc(C[N@@H+](C)CC(=C)C)c1 ZINC000649416290 393416857 /nfs/dbraw/zinc/41/68/57/393416857.db2.gz DWLUQNIOFGMVHX-UHFFFAOYSA-N 1 1 273.424 3.097 20 30 CGEDMO CC(C)CC[C@H]1CCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000486783623 393448288 /nfs/dbraw/zinc/44/82/88/393448288.db2.gz ZKTLKACLFBQERK-QGZVFWFLSA-N 1 1 299.418 3.397 20 30 CGEDMO C[C@H]1CC[C@@H]([N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000429568283 393483943 /nfs/dbraw/zinc/48/39/43/393483943.db2.gz ZSNIUOMYTXLTBU-SWLSCSKDSA-N 1 1 296.374 3.229 20 30 CGEDMO C[C@H]1CC[C@H]([N@@H+](C)CCCOc2cccc(C#N)c2)C1 ZINC000429578335 393486650 /nfs/dbraw/zinc/48/66/50/393486650.db2.gz IKIFGRUDZFVWBB-HOCLYGCPSA-N 1 1 272.392 3.448 20 30 CGEDMO C[C@@H]1C[C@H]1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000488347002 393493116 /nfs/dbraw/zinc/49/31/16/393493116.db2.gz AENHGZORTYEFIR-DYVFJYSZSA-N 1 1 252.361 3.303 20 30 CGEDMO Cc1ccccc1[C@H]([C@@H](C)[NH2+]Cc1ccc(C#N)o1)N(C)C ZINC000443008757 393740419 /nfs/dbraw/zinc/74/04/19/393740419.db2.gz HDWCJMLLROSHLG-KDOFPFPSSA-N 1 1 297.402 3.241 20 30 CGEDMO COc1cc(C[N@H+]2CC3(CCC3)C[C@H]2C)ccc1C#N ZINC000443072585 393742707 /nfs/dbraw/zinc/74/27/07/393742707.db2.gz VABJDJGOGVDKHD-CYBMUJFWSA-N 1 1 270.376 3.331 20 30 CGEDMO CCc1ccc[nH+]c1NCc1ccc(C#N)c(C)c1 ZINC000444003209 393783145 /nfs/dbraw/zinc/78/31/45/393783145.db2.gz MPPZVMGPVMZKEI-UHFFFAOYSA-N 1 1 251.333 3.436 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)s1 ZINC000449537746 393888572 /nfs/dbraw/zinc/88/85/72/393888572.db2.gz JWERVWPLLPUZKP-GJZGRUSLSA-N 1 1 258.390 3.240 20 30 CGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCCC(C)(C)C1 ZINC000446066213 393844282 /nfs/dbraw/zinc/84/42/82/393844282.db2.gz JJOMFIQMJBDOIU-AWEZNQCLSA-N 1 1 299.418 3.397 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](C(C)C)C1 ZINC000501235236 393849556 /nfs/dbraw/zinc/84/95/56/393849556.db2.gz CIOQMWUWCDEEBO-AWEZNQCLSA-N 1 1 258.365 3.045 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](N(C)Cc2ccc(Cl)cc2C#N)C1 ZINC000452126535 394050260 /nfs/dbraw/zinc/05/02/60/394050260.db2.gz YSRFIEDLOLWDKX-INIZCTEOSA-N 1 1 291.826 3.126 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2cccnc2)C1 ZINC000668492772 543020770 /nfs/dbraw/zinc/02/07/70/543020770.db2.gz FTORDOBBAMVWTR-HNNXBMFYSA-N 1 1 296.418 3.270 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000669694680 543118943 /nfs/dbraw/zinc/11/89/43/543118943.db2.gz DCHVLGXFJFFXTC-JKSUJKDBSA-N 1 1 285.435 3.201 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000675496456 543344395 /nfs/dbraw/zinc/34/43/95/543344395.db2.gz XOJHYCOVCILNTI-CQSZACIVSA-N 1 1 284.403 3.162 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCC[C@H](C3CC3)C2)cc1 ZINC000677057014 543428546 /nfs/dbraw/zinc/42/85/46/543428546.db2.gz XHSBXIQSPWSCMR-INIZCTEOSA-N 1 1 257.352 3.299 20 30 CGEDMO COCC#CC[N@@H+](CCc1ccccc1F)C1CCCC1 ZINC000677818286 543467154 /nfs/dbraw/zinc/46/71/54/543467154.db2.gz IPAIKFVLSGVDCI-UHFFFAOYSA-N 1 1 289.394 3.263 20 30 CGEDMO COCC#CC[N@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000677820199 543468054 /nfs/dbraw/zinc/46/80/54/543468054.db2.gz JBZQIPXDRSBNCU-FQEVSTJZSA-N 1 1 291.394 3.436 20 30 CGEDMO COCC#CC[N@H+](Cc1ccco1)Cc1cccc(C)c1 ZINC000677819235 543468418 /nfs/dbraw/zinc/46/84/18/543468418.db2.gz VELLZJDQWGSJAY-UHFFFAOYSA-N 1 1 283.371 3.240 20 30 CGEDMO COCC#CC[N@@H+](Cc1ccco1)Cc1cccc(C)c1 ZINC000677819235 543468420 /nfs/dbraw/zinc/46/84/20/543468420.db2.gz VELLZJDQWGSJAY-UHFFFAOYSA-N 1 1 283.371 3.240 20 30 CGEDMO CC1(C)CCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000077382410 287039239 /nfs/dbraw/zinc/03/92/39/287039239.db2.gz UFQJGICHCWTRPD-UHFFFAOYSA-N 1 1 253.349 3.185 20 30 CGEDMO COc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1C#N ZINC000087833107 165189610 /nfs/dbraw/zinc/18/96/10/165189610.db2.gz CDZDJGICQCQOLN-BETUJISGSA-N 1 1 258.365 3.045 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+](C)[C@H](C)c1ccccn1 ZINC000091704071 165269187 /nfs/dbraw/zinc/26/91/87/165269187.db2.gz BRZCEHLDMUXZIG-CYBMUJFWSA-N 1 1 281.359 3.155 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000091704071 165269188 /nfs/dbraw/zinc/26/91/88/165269188.db2.gz BRZCEHLDMUXZIG-CYBMUJFWSA-N 1 1 281.359 3.155 20 30 CGEDMO COCC[N@@H+](CCCc1ccccc1)Cc1ccc(C#N)o1 ZINC000092541764 165303450 /nfs/dbraw/zinc/30/34/50/165303450.db2.gz JYZHBTZSHAPFQP-UHFFFAOYSA-N 1 1 298.386 3.232 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)o1 ZINC000093048686 165322231 /nfs/dbraw/zinc/32/22/31/165322231.db2.gz DWTQDNOQGJTQBD-OAHLLOKOSA-N 1 1 296.326 3.217 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)o1 ZINC000093048686 165322235 /nfs/dbraw/zinc/32/22/35/165322235.db2.gz DWTQDNOQGJTQBD-OAHLLOKOSA-N 1 1 296.326 3.217 20 30 CGEDMO CC[C@H](C)[N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000179933856 165647280 /nfs/dbraw/zinc/64/72/80/165647280.db2.gz PVUVCZDXIRUSFG-ZDUSSCGKSA-N 1 1 282.391 3.189 20 30 CGEDMO CCc1cc(OC)ccc1C[NH2+][C@H]1CCC[C@H]1C#N ZINC000337495749 262454129 /nfs/dbraw/zinc/45/41/29/262454129.db2.gz IJJWVXKEBDQSNC-BBRMVZONSA-N 1 1 258.365 3.039 20 30 CGEDMO CC(C)N1CCC([NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000020189083 171054847 /nfs/dbraw/zinc/05/48/47/171054847.db2.gz YYRLRTHXUAXLCP-CQSZACIVSA-N 1 1 271.408 3.082 20 30 CGEDMO C=CCOc1ccc(CNC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000038028765 174017898 /nfs/dbraw/zinc/01/78/98/174017898.db2.gz LNVRLWKOJZQOLG-MRXNPFEDSA-N 1 1 288.435 3.215 20 30 CGEDMO Cc1ccc(C#N)c(NC[C@H]2CCC[N@H+](CC(C)C)C2)n1 ZINC000286047516 196481012 /nfs/dbraw/zinc/48/10/12/196481012.db2.gz APMAOZOAPUQQLO-OAHLLOKOSA-N 1 1 286.423 3.042 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000679357911 543626969 /nfs/dbraw/zinc/62/69/69/543626969.db2.gz GINUHWPKBGOASC-DZGCQCFKSA-N 1 1 263.356 3.431 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000679357911 543626971 /nfs/dbraw/zinc/62/69/71/543626971.db2.gz GINUHWPKBGOASC-DZGCQCFKSA-N 1 1 263.356 3.431 20 30 CGEDMO C=CCOCC[NH2+][C@H](c1ccc(F)cc1)c1ccccn1 ZINC000680350000 543701953 /nfs/dbraw/zinc/70/19/53/543701953.db2.gz UUATWDIHDMBMQE-QGZVFWFLSA-N 1 1 286.350 3.102 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCOCC3(CCCC3)C2)cc1 ZINC000681475230 543788752 /nfs/dbraw/zinc/78/87/52/543788752.db2.gz PJIPLJWTIWJYIC-UHFFFAOYSA-N 1 1 287.378 3.070 20 30 CGEDMO CCC#C[C@@H](C)[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000681467111 543788919 /nfs/dbraw/zinc/78/89/19/543788919.db2.gz CONPCLPNSJDWIT-DYVFJYSZSA-N 1 1 285.366 3.040 20 30 CGEDMO Cc1ccn2c(C[N@@H+](C)Cc3ccc(C#N)cc3)cnc2c1 ZINC000131177076 287372371 /nfs/dbraw/zinc/37/23/71/287372371.db2.gz DTMUYCZQACFEOO-UHFFFAOYSA-N 1 1 290.370 3.146 20 30 CGEDMO Cc1ccn2c(C[N@H+](C)Cc3ccc(C#N)cc3)cnc2c1 ZINC000131177076 287372376 /nfs/dbraw/zinc/37/23/76/287372376.db2.gz DTMUYCZQACFEOO-UHFFFAOYSA-N 1 1 290.370 3.146 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CCCC2(CCCCC2)CC1 ZINC000682538077 543852101 /nfs/dbraw/zinc/85/21/01/543852101.db2.gz KEBLDRHRFOITFA-HNNXBMFYSA-N 1 1 251.414 3.360 20 30 CGEDMO C=CCC[N@H+](C)Cc1cnc(-c2ccccc2)nc1 ZINC000682434920 543845088 /nfs/dbraw/zinc/84/50/88/543845088.db2.gz CIFAEJGVMWABNX-UHFFFAOYSA-N 1 1 253.349 3.152 20 30 CGEDMO N#CCCCC[N@@H+](Cc1cccs1)[C@H]1C=C[C@H](CO)C1 ZINC000347347024 226121972 /nfs/dbraw/zinc/12/19/72/226121972.db2.gz QWBAMGLJEWDIAH-GJZGRUSLSA-N 1 1 290.432 3.181 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(O)cc1 ZINC000685442260 544071023 /nfs/dbraw/zinc/07/10/23/544071023.db2.gz NFBZBJXLUOLEGW-UHFFFAOYSA-N 1 1 287.359 3.056 20 30 CGEDMO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1nc2c(s1)CCC2 ZINC000134733955 287452786 /nfs/dbraw/zinc/45/27/86/287452786.db2.gz VFLAPQFKFRXJMP-LLVKDONJSA-N 1 1 283.400 3.354 20 30 CGEDMO C[C@@H](C#N)C[N@H+](C)CC[C@H](C)OCc1ccccc1 ZINC000354862832 227180571 /nfs/dbraw/zinc/18/05/71/227180571.db2.gz ITFDRVSEVALACV-GJZGRUSLSA-N 1 1 260.381 3.073 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CCCC1 ZINC000654315587 418958310 /nfs/dbraw/zinc/95/83/10/418958310.db2.gz SXIIDOGELSRDAV-CVEARBPZSA-N 1 1 290.451 3.256 20 30 CGEDMO C=CCCC[N@H+](C)CC[C@H]1Sc2ccccc2NC1=O ZINC000659940206 419040449 /nfs/dbraw/zinc/04/04/49/419040449.db2.gz DAPSRYRGGMGRFQ-OAHLLOKOSA-N 1 1 290.432 3.388 20 30 CGEDMO C=CCCn1cc(C[N@H+](CC=C)CC2CCCCC2)nn1 ZINC000653555629 419047164 /nfs/dbraw/zinc/04/71/64/419047164.db2.gz LGEOFGWXWIGOPL-UHFFFAOYSA-N 1 1 288.439 3.423 20 30 CGEDMO C=CCCn1cc(C[N@@H+](CC=C)CC2CCCCC2)nn1 ZINC000653555629 419047166 /nfs/dbraw/zinc/04/71/66/419047166.db2.gz LGEOFGWXWIGOPL-UHFFFAOYSA-N 1 1 288.439 3.423 20 30 CGEDMO C=CCCn1cc(C[N@H+](C(C)C)C2CC(C)(C)C2)nn1 ZINC000653755846 419080406 /nfs/dbraw/zinc/08/04/06/419080406.db2.gz IUWIBCWQEITPGZ-UHFFFAOYSA-N 1 1 276.428 3.253 20 30 CGEDMO C=CC[C@@H]1[N@@H+](CCN2C[C@@H](C)O[C@H](C)C2)CCCC1(C)C ZINC000660422257 419141982 /nfs/dbraw/zinc/14/19/82/419141982.db2.gz CPAQATHTNFPOKR-ZACQAIPSSA-N 1 1 294.483 3.162 20 30 CGEDMO C=CC[C@H]1[N@@H+](CCN2C[C@@H](C)O[C@@H](C)C2)CCCC1(C)C ZINC000660422255 419142223 /nfs/dbraw/zinc/14/22/23/419142223.db2.gz CPAQATHTNFPOKR-IXDOHACOSA-N 1 1 294.483 3.162 20 30 CGEDMO C=CCCC[C@H](C)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660661053 419178109 /nfs/dbraw/zinc/17/81/09/419178109.db2.gz BLWUSBHNJAXHTC-HOTGVXAUSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CCCC[C@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660661053 419178111 /nfs/dbraw/zinc/17/81/11/419178111.db2.gz BLWUSBHNJAXHTC-HOTGVXAUSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000660661053 419178112 /nfs/dbraw/zinc/17/81/12/419178112.db2.gz BLWUSBHNJAXHTC-HOTGVXAUSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000660661053 419178113 /nfs/dbraw/zinc/17/81/13/419178113.db2.gz BLWUSBHNJAXHTC-HOTGVXAUSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CC[N@H+](CCCc1ccsc1)[C@H](C)COC ZINC000661241476 419244595 /nfs/dbraw/zinc/24/45/95/419244595.db2.gz YYCZQVUJFJOVTE-CYBMUJFWSA-N 1 1 253.411 3.204 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2nncn2-c2ccccc2)C1 ZINC000661383476 419256224 /nfs/dbraw/zinc/25/62/24/419256224.db2.gz DITJAWDXHVNIRF-OAHLLOKOSA-N 1 1 282.391 3.055 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@H]2CCc3ccccc3NC2=O)C1 ZINC000661387589 419256995 /nfs/dbraw/zinc/25/69/95/419256995.db2.gz YXTIZWDXMAJTEC-PBHICJAKSA-N 1 1 284.403 3.228 20 30 CGEDMO C=CC[N@@H+](C[C@H](O)CCc1ccccc1)C(C)(C)C ZINC000661759875 419295853 /nfs/dbraw/zinc/29/58/53/419295853.db2.gz KRNFIGVUQZLDLA-MRXNPFEDSA-N 1 1 261.409 3.267 20 30 CGEDMO C=CCCCN(C)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000661858890 419305799 /nfs/dbraw/zinc/30/57/99/419305799.db2.gz MQWOHHKAVSBZPA-OAHLLOKOSA-N 1 1 293.455 3.001 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000661872364 419309962 /nfs/dbraw/zinc/30/99/62/419309962.db2.gz APLLMMSHRHDBKE-MOPGFXCFSA-N 1 1 283.415 3.319 20 30 CGEDMO Fc1ccc(C#CC[N@@H+]2CCOC(C3CC3)(C3CC3)C2)cc1 ZINC000661995514 419321655 /nfs/dbraw/zinc/32/16/55/419321655.db2.gz GSJHDURMIMQQQZ-UHFFFAOYSA-N 1 1 299.389 3.068 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCOC(C3CC3)(C3CC3)C2)cc1 ZINC000661995514 419321658 /nfs/dbraw/zinc/32/16/58/419321658.db2.gz GSJHDURMIMQQQZ-UHFFFAOYSA-N 1 1 299.389 3.068 20 30 CGEDMO C[C@H](C1CC1)n1cc(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)cn1 ZINC000330313443 228136671 /nfs/dbraw/zinc/13/66/71/228136671.db2.gz OTPNWKMNGYEYMX-FRRDWIJNSA-N 1 1 290.411 3.315 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(-c2cnn(C)c2C)no1 ZINC000662091359 419334337 /nfs/dbraw/zinc/33/43/37/419334337.db2.gz XFTQLLFYMPLKCU-OKILXGFUSA-N 1 1 298.390 3.067 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](C[C@H](CN)c2ccc(OC)cc2)C1 ZINC000662298328 419388533 /nfs/dbraw/zinc/38/85/33/419388533.db2.gz BFIGGHQCVWCLRP-RDJZCZTQSA-N 1 1 288.435 3.026 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](C[C@H](CN)c2ccc(OC)cc2)C1 ZINC000662298328 419388537 /nfs/dbraw/zinc/38/85/37/419388537.db2.gz BFIGGHQCVWCLRP-RDJZCZTQSA-N 1 1 288.435 3.026 20 30 CGEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@H](C)C(C)(C)C ZINC000532490617 269766694 /nfs/dbraw/zinc/76/66/94/269766694.db2.gz DIIPKWFWOIQYAM-CYBMUJFWSA-N 1 1 290.407 3.312 20 30 CGEDMO N#CCCCC[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000071122673 260272201 /nfs/dbraw/zinc/27/22/01/260272201.db2.gz KQKHIZNWSZEXLN-CQSZACIVSA-N 1 1 278.421 3.423 20 30 CGEDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)CCCSCC#N)CCC2 ZINC000072518073 260276558 /nfs/dbraw/zinc/27/65/58/260276558.db2.gz VWSDTLCQXRQQDA-ZDUSSCGKSA-N 1 1 295.477 3.408 20 30 CGEDMO C[C@H](CC#N)[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000049525891 260662491 /nfs/dbraw/zinc/66/24/91/260662491.db2.gz FEFNPMQYOJIRQD-NXEZZACHSA-N 1 1 267.170 3.402 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2nc(CC)cc(=O)[nH]2)CCCC1(C)C ZINC000444785661 261179685 /nfs/dbraw/zinc/17/96/85/261179685.db2.gz RQDLUQLYKHLICV-CQSZACIVSA-N 1 1 289.423 3.311 20 30 CGEDMO C=CCCC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000102337731 261215133 /nfs/dbraw/zinc/21/51/33/261215133.db2.gz ZVXVRIJPAVIVEK-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CCCC#N ZINC000184740599 262027663 /nfs/dbraw/zinc/02/76/63/262027663.db2.gz LEJNYRIBSCNSAM-BYICEURKSA-N 1 1 285.435 3.036 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000364058254 262128785 /nfs/dbraw/zinc/12/87/85/262128785.db2.gz WBNOJWYVXGCRSN-CYBMUJFWSA-N 1 1 287.338 3.241 20 30 CGEDMO CO[C@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CC[C@H]1C ZINC000189275576 262170350 /nfs/dbraw/zinc/17/03/50/262170350.db2.gz DEXPWRHBGUIXHO-PBHICJAKSA-N 1 1 286.419 3.345 20 30 CGEDMO CCC(CC)C[N@H+](CCC#N)Cc1cc(C#N)n(C)c1 ZINC000191325514 262191294 /nfs/dbraw/zinc/19/12/94/262191294.db2.gz DTNLMPVVHBRNQZ-UHFFFAOYSA-N 1 1 272.396 3.049 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)Cc1cc(C#N)n(C)c1 ZINC000191325514 262191296 /nfs/dbraw/zinc/19/12/96/262191296.db2.gz DTNLMPVVHBRNQZ-UHFFFAOYSA-N 1 1 272.396 3.049 20 30 CGEDMO C=CC1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC000110969312 262259372 /nfs/dbraw/zinc/25/93/72/262259372.db2.gz HFGFBBOJORRCOF-QGZVFWFLSA-N 1 1 286.419 3.104 20 30 CGEDMO C=CCOc1ccc(CNCCC[N@H+](C)C(C)C)cc1 ZINC000221786236 262296666 /nfs/dbraw/zinc/29/66/66/262296666.db2.gz KVTKNKPEVAEISM-UHFFFAOYSA-N 1 1 276.424 3.071 20 30 CGEDMO CO[C@H](C)C[N@@H+](CCCCC(C)(C)C#N)C(C)C ZINC000336783830 262394679 /nfs/dbraw/zinc/39/46/79/262394679.db2.gz GTHVQNZBONSNKF-CQSZACIVSA-N 1 1 254.418 3.452 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000338175792 262512010 /nfs/dbraw/zinc/51/20/10/262512010.db2.gz CJVVIHTZVZIRFB-CAOSSQGBSA-N 1 1 251.414 3.214 20 30 CGEDMO CC#CC[N@@H+](C)Cc1cc(Cl)cc2cccnc21 ZINC000339764119 262666578 /nfs/dbraw/zinc/66/65/78/262666578.db2.gz RAVFOIBLBYMVLH-UHFFFAOYSA-N 1 1 258.752 3.343 20 30 CGEDMO N#CC1(CC[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)CCCCC1 ZINC000411780466 262706549 /nfs/dbraw/zinc/70/65/49/262706549.db2.gz ABWKMGYWPMIIQB-IKGGRYGDSA-N 1 1 290.451 3.333 20 30 CGEDMO C[C@H](CCC#N)[NH+]1CCN([C@@H](C)c2ccsc2)CC1 ZINC000276563811 263037267 /nfs/dbraw/zinc/03/72/67/263037267.db2.gz MBKGXYCXIHGHDL-KGLIPLIRSA-N 1 1 277.437 3.119 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000340192933 263087518 /nfs/dbraw/zinc/08/75/18/263087518.db2.gz UODAVKLPXZEFRT-VXGBXAGGSA-N 1 1 292.345 3.094 20 30 CGEDMO C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1c(F)cncc1F ZINC000285662420 263095043 /nfs/dbraw/zinc/09/50/43/263095043.db2.gz MKCQVGYZCRTNIJ-AXFHLTTASA-N 1 1 265.307 3.093 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)C1 ZINC000292716110 263134215 /nfs/dbraw/zinc/13/42/15/263134215.db2.gz AEUPCRYIQGHACV-HZSPNIEDSA-N 1 1 290.794 3.485 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](c3ccc(F)cc3)C2)C1 ZINC000292848571 263135727 /nfs/dbraw/zinc/13/57/27/263135727.db2.gz QFGYLBXZLWTVNT-XNRPHZJLSA-N 1 1 258.340 3.307 20 30 CGEDMO CC(C)(C#N)CCC[N@@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000296858049 263197560 /nfs/dbraw/zinc/19/75/60/263197560.db2.gz TZKQGHXJAJWNRH-UHFFFAOYSA-N 1 1 299.418 3.080 20 30 CGEDMO C[C@@]12CC[N@@H+](Cc3ccc(OCC#N)cc3)C[C@@H]1C2(F)F ZINC000298295607 263217434 /nfs/dbraw/zinc/21/74/34/263217434.db2.gz PIVHXYGLDFPFHQ-LSDHHAIUSA-N 1 1 292.329 3.066 20 30 CGEDMO C=CCC1(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)CCCC1 ZINC000453390524 263260173 /nfs/dbraw/zinc/26/01/73/263260173.db2.gz YEQCONWUOPMUHJ-GJZGRUSLSA-N 1 1 250.430 3.195 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1c(C)n[nH]c1C ZINC000120058942 263280151 /nfs/dbraw/zinc/28/01/51/263280151.db2.gz KFGALZAAYYGOER-UHFFFAOYSA-N 1 1 269.392 3.257 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000340955735 263313843 /nfs/dbraw/zinc/31/38/43/263313843.db2.gz SWWSNYKDMWYSQP-HUUCEWRRSA-N 1 1 261.413 3.344 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@H](OC)C1CC1 ZINC000425405041 264283514 /nfs/dbraw/zinc/28/35/14/264283514.db2.gz KSOXLLXUTCFBEY-INIZCTEOSA-N 1 1 263.356 3.239 20 30 CGEDMO C=C(C)[C@H]1OCC[C@@H]1CNc1cc[nH+]cc1Cl ZINC000280754740 264460499 /nfs/dbraw/zinc/46/04/99/264460499.db2.gz MRSRYRRGLFPESW-ZWNOBZJWSA-N 1 1 252.745 3.128 20 30 CGEDMO CCO[C@H]1C[C@H]([N@@H+](C)CCC(C)(C)C#N)C1(C)C ZINC000345709981 265097668 /nfs/dbraw/zinc/09/76/68/265097668.db2.gz CGQBMEOJWRGURM-STQMWFEESA-N 1 1 252.402 3.062 20 30 CGEDMO CCO[C@H]1C[C@@H]([N@@H+](C)CCC(C)(C)C#N)C12CCC2 ZINC000345706630 265097688 /nfs/dbraw/zinc/09/76/88/265097688.db2.gz GAODRWLQMYNEFW-KGLIPLIRSA-N 1 1 264.413 3.206 20 30 CGEDMO C=CCOCCC[N@@H+](CC=C)Cc1cccs1 ZINC000347966433 265139191 /nfs/dbraw/zinc/13/91/91/265139191.db2.gz MWOCHUHIBIVKTG-UHFFFAOYSA-N 1 1 251.395 3.329 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)CCC#N ZINC000297937674 266050675 /nfs/dbraw/zinc/05/06/75/266050675.db2.gz RSVRONXGRNPQTI-CQSZACIVSA-N 1 1 255.365 3.463 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000356390755 266106163 /nfs/dbraw/zinc/10/61/63/266106163.db2.gz JEHSWFSUIWOGNV-UHFFFAOYSA-N 1 1 289.297 3.045 20 30 CGEDMO CC[N@@H+](CCOc1cccc(C#N)c1)CC(C)(C)C ZINC000311950337 266128136 /nfs/dbraw/zinc/12/81/36/266128136.db2.gz JKSPHYVLKTWFGZ-UHFFFAOYSA-N 1 1 260.381 3.305 20 30 CGEDMO C=CCOc1cccc(CN2CC[N@H+](C)C[C@@H]2C(C)C)c1 ZINC000357215848 266266778 /nfs/dbraw/zinc/26/67/78/266266778.db2.gz QKNSRGJXPADVQE-GOSISDBHSA-N 1 1 288.435 3.023 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCN(C)C[C@@H]2C(C)C)c1 ZINC000357215848 266266781 /nfs/dbraw/zinc/26/67/81/266266781.db2.gz QKNSRGJXPADVQE-GOSISDBHSA-N 1 1 288.435 3.023 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCN(C)C[C@@H]2C(C)C)c1 ZINC000357215848 266266784 /nfs/dbraw/zinc/26/67/84/266266784.db2.gz QKNSRGJXPADVQE-GOSISDBHSA-N 1 1 288.435 3.023 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNCc2cccc(C#N)c2)C1 ZINC000237506264 267087147 /nfs/dbraw/zinc/08/71/47/267087147.db2.gz OEGBDBZYCKBFQJ-IYBDPMFKSA-N 1 1 299.462 3.404 20 30 CGEDMO C[C@@H]1C[C@H](C)CN(C(C)(C)C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000237506264 267087150 /nfs/dbraw/zinc/08/71/50/267087150.db2.gz OEGBDBZYCKBFQJ-IYBDPMFKSA-N 1 1 299.462 3.404 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000368070366 267144044 /nfs/dbraw/zinc/14/40/44/267144044.db2.gz CPSPWWVMSSHDKS-KBPBESRZSA-N 1 1 264.413 3.206 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cn(C)nc2C)cc1 ZINC000368566798 267186176 /nfs/dbraw/zinc/18/61/76/267186176.db2.gz JXMSQNBYLQQGJB-GOSISDBHSA-N 1 1 279.387 3.047 20 30 CGEDMO COC[C@@H]1CCCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000368678903 267197822 /nfs/dbraw/zinc/19/78/22/267197822.db2.gz VZJUFUJKWQWWOF-CQSZACIVSA-N 1 1 252.402 3.065 20 30 CGEDMO Cc1ccc2[nH]c3c(c2c1)C[N@H+](CCCC#N)CC3 ZINC000369029466 267217640 /nfs/dbraw/zinc/21/76/40/267217640.db2.gz XKEGWGRUDJVCMZ-UHFFFAOYSA-N 1 1 253.349 3.138 20 30 CGEDMO Cc1ccc2[nH]c3c(c2c1)C[N@@H+](CCCC#N)CC3 ZINC000369029466 267217642 /nfs/dbraw/zinc/21/76/42/267217642.db2.gz XKEGWGRUDJVCMZ-UHFFFAOYSA-N 1 1 253.349 3.138 20 30 CGEDMO COc1ccc(C[C@H]2CCC[N@@H+](CCCC#N)C2)cc1 ZINC000369620167 267256046 /nfs/dbraw/zinc/25/60/46/267256046.db2.gz VVUIUVBGFPDDTR-MRXNPFEDSA-N 1 1 272.392 3.253 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCOC[C@@H]1c1ccccc1 ZINC000369995697 267282073 /nfs/dbraw/zinc/28/20/73/267282073.db2.gz AVHOECFODLMQLE-MRXNPFEDSA-N 1 1 272.392 3.390 20 30 CGEDMO CCCOc1cccc(C[NH2+]CC2(C#N)CCC2)c1 ZINC000418138543 267360493 /nfs/dbraw/zinc/36/04/93/267360493.db2.gz GJUUCXFTJRQZKT-UHFFFAOYSA-N 1 1 258.365 3.259 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc(OCC3CC3)cc2)CCC1 ZINC000418143027 267365444 /nfs/dbraw/zinc/36/54/44/267365444.db2.gz ODBUYSFPHIMATC-UHFFFAOYSA-N 1 1 270.376 3.259 20 30 CGEDMO CCCCCCC[N@H+]1CCOC[C@H]1c1c(C)nn(C)c1C ZINC000371395564 267399765 /nfs/dbraw/zinc/39/97/65/267399765.db2.gz GFICKMBLIBPOFB-INIZCTEOSA-N 1 1 293.455 3.381 20 30 CGEDMO CCCCCCC[N@@H+]1CCOC[C@@H]1c1c(C)nn(C)c1C ZINC000371395565 267399695 /nfs/dbraw/zinc/39/96/95/267399695.db2.gz GFICKMBLIBPOFB-MRXNPFEDSA-N 1 1 293.455 3.381 20 30 CGEDMO CCCCCCC[N@H+]1CCOC[C@@H]1c1c(C)nn(C)c1C ZINC000371395565 267399698 /nfs/dbraw/zinc/39/96/98/267399698.db2.gz GFICKMBLIBPOFB-MRXNPFEDSA-N 1 1 293.455 3.381 20 30 CGEDMO CCCCCCC[N@@H+]1CCOC[C@H]1c1c(C)nn(C)c1C ZINC000371395564 267399762 /nfs/dbraw/zinc/39/97/62/267399762.db2.gz GFICKMBLIBPOFB-INIZCTEOSA-N 1 1 293.455 3.381 20 30 CGEDMO C[C@H]1CC(F)(F)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000528761481 270171617 /nfs/dbraw/zinc/17/16/17/270171617.db2.gz GAGHCHKHUSVFKU-NSHDSACASA-N 1 1 250.292 3.178 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000120979235 267535163 /nfs/dbraw/zinc/53/51/63/267535163.db2.gz RJABCOYFEJCCJD-CQSZACIVSA-N 1 1 293.411 3.378 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](c2nccn2C)C1 ZINC000373277809 267659186 /nfs/dbraw/zinc/65/91/86/267659186.db2.gz IRPYGGGQRVFPSE-HNNXBMFYSA-N 1 1 261.413 3.346 20 30 CGEDMO CO[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1(C)C ZINC000296118801 274064033 /nfs/dbraw/zinc/06/40/33/274064033.db2.gz RUFOHNSFHAVHPF-MRXNPFEDSA-N 1 1 291.822 3.438 20 30 CGEDMO COc1ccncc1C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425536806 274165338 /nfs/dbraw/zinc/16/53/38/274165338.db2.gz PHZDDZNNXKVTRS-ZDUSSCGKSA-N 1 1 281.359 3.155 20 30 CGEDMO COc1ccncc1C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425536806 274165339 /nfs/dbraw/zinc/16/53/39/274165339.db2.gz PHZDDZNNXKVTRS-ZDUSSCGKSA-N 1 1 281.359 3.155 20 30 CGEDMO C[C@@H](c1cnccn1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000373351661 274280264 /nfs/dbraw/zinc/28/02/64/274280264.db2.gz APWLAMFUMMYJTA-AWEZNQCLSA-N 1 1 290.370 3.199 20 30 CGEDMO C[C@@H](c1cnccn1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000373351661 274280265 /nfs/dbraw/zinc/28/02/65/274280265.db2.gz APWLAMFUMMYJTA-AWEZNQCLSA-N 1 1 290.370 3.199 20 30 CGEDMO CC1(C)CC(N[C@@H]2CCc3ccc(C#N)cc32)CC(C)(C)[NH2+]1 ZINC000353385415 275809122 /nfs/dbraw/zinc/80/91/22/275809122.db2.gz MBZIKSMTVPXTPR-QGZVFWFLSA-N 1 1 297.446 3.444 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccnc(C)n1 ZINC000507321265 276001784 /nfs/dbraw/zinc/00/17/84/276001784.db2.gz WWFRTMVKXWPVTP-UHFFFAOYSA-N 1 1 280.375 3.069 20 30 CGEDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000336542217 280095443 /nfs/dbraw/zinc/09/54/43/280095443.db2.gz CLNSYCWAPWIUQK-CABZTGNLSA-N 1 1 286.272 3.470 20 30 CGEDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC000336542217 280095444 /nfs/dbraw/zinc/09/54/44/280095444.db2.gz CLNSYCWAPWIUQK-CABZTGNLSA-N 1 1 286.272 3.470 20 30 CGEDMO Cc1csc(C(C)(C)[NH2+]CC#Cc2ccccc2)n1 ZINC000192106857 281713848 /nfs/dbraw/zinc/71/38/48/281713848.db2.gz QEQXNNHWWOFGDK-UHFFFAOYSA-N 1 1 270.401 3.328 20 30 CGEDMO CCc1cc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)on1 ZINC000538507606 288575672 /nfs/dbraw/zinc/57/56/72/288575672.db2.gz PWKZOFUKACKQDD-JTQLQIEISA-N 1 1 273.311 3.099 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247977538 290221103 /nfs/dbraw/zinc/22/11/03/290221103.db2.gz HZDJQWPMSQSDIB-FHLIZLRMSA-N 1 1 283.419 3.035 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247977538 290221104 /nfs/dbraw/zinc/22/11/04/290221104.db2.gz HZDJQWPMSQSDIB-FHLIZLRMSA-N 1 1 283.419 3.035 20 30 CGEDMO C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459434464 297241002 /nfs/dbraw/zinc/24/10/02/297241002.db2.gz ORAQQTNGXRRPRL-JHJVBQTASA-N 1 1 287.363 3.333 20 30 CGEDMO N#Cc1cccc(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)c1 ZINC000123449577 303203470 /nfs/dbraw/zinc/20/34/70/303203470.db2.gz CTLMBGVMEMZCNS-GOSISDBHSA-N 1 1 284.403 3.482 20 30 CGEDMO N#CC1(CC[N@H+]2CCC(=O)CC23CCC3)CCCCC1 ZINC000563367627 328059870 /nfs/dbraw/zinc/05/98/70/328059870.db2.gz WWVYTYVEYMBWJI-UHFFFAOYSA-N 1 1 274.408 3.438 20 30 CGEDMO N#CC1(CC[N@@H+]2CCC(=O)CC23CCC3)CCCCC1 ZINC000563367627 328059871 /nfs/dbraw/zinc/05/98/71/328059871.db2.gz WWVYTYVEYMBWJI-UHFFFAOYSA-N 1 1 274.408 3.438 20 30 CGEDMO N#CCCCC[N@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000267392997 328177777 /nfs/dbraw/zinc/17/77/77/328177777.db2.gz HQRFKKZJUJBKSP-GOSISDBHSA-N 1 1 286.419 3.442 20 30 CGEDMO N#CCCC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000268398175 328184815 /nfs/dbraw/zinc/18/48/15/328184815.db2.gz TWJJHDHTXPEWAM-GJZGRUSLSA-N 1 1 276.380 3.251 20 30 CGEDMO C[C@@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1ccc(OCC#N)cc1 ZINC000271852763 328198055 /nfs/dbraw/zinc/19/80/55/328198055.db2.gz IUVCPLBKECMQPA-WBMJQRKESA-N 1 1 296.374 3.040 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C)CCCCCOc1ccccc1 ZINC000275665263 328215745 /nfs/dbraw/zinc/21/57/45/328215745.db2.gz FFSNMDOEOWTTLZ-OAHLLOKOSA-N 1 1 260.381 3.327 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1ccccc1Cl ZINC000181246368 329227441 /nfs/dbraw/zinc/22/74/41/329227441.db2.gz PFXWZTUUWFRALA-LLVKDONJSA-N 1 1 266.772 3.175 20 30 CGEDMO COCCC[N@@H+](Cc1ccncc1)CC(C)(C)CCC#N ZINC000289541678 328255080 /nfs/dbraw/zinc/25/50/80/328255080.db2.gz WUQHXCGEXBACDP-UHFFFAOYSA-N 1 1 289.423 3.250 20 30 CGEDMO Cc1cc(NC(=O)[C@]2(C#N)CC23CCCC3)cn2cc[nH+]c12 ZINC000295714211 328286897 /nfs/dbraw/zinc/28/68/97/328286897.db2.gz YRKISHIWACGMPW-QGZVFWFLSA-N 1 1 294.358 3.055 20 30 CGEDMO Cc1cc(F)ccc1C[N@H+](C)Cc1ccc(C#N)cn1 ZINC000566416583 322121234 /nfs/dbraw/zinc/12/12/34/322121234.db2.gz QLQUUIBILHHFRO-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO Cc1cc(F)ccc1C[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000566416583 322121237 /nfs/dbraw/zinc/12/12/37/322121237.db2.gz QLQUUIBILHHFRO-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567986914 322186866 /nfs/dbraw/zinc/18/68/66/322186866.db2.gz IYYQYRMIWFFDLK-FZMZJTMJSA-N 1 1 273.336 3.229 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cn1 ZINC000568583637 322214292 /nfs/dbraw/zinc/21/42/92/322214292.db2.gz ACXNQNNRUADVIM-UHFFFAOYSA-N 1 1 290.370 3.237 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000050275356 328395413 /nfs/dbraw/zinc/39/54/13/328395413.db2.gz HLLZAKNVJXQIPP-HNNXBMFYSA-N 1 1 274.408 3.104 20 30 CGEDMO C=CC[N@@H+](CCC)CC(=O)Nc1ccc(Cl)cc1 ZINC000112350158 328398682 /nfs/dbraw/zinc/39/86/82/328398682.db2.gz NMYVQADHSHWYJB-UHFFFAOYSA-N 1 1 266.772 3.177 20 30 CGEDMO C=CC[N@H+](CCC)CC(=O)Nc1ccc(Cl)cc1 ZINC000112350158 328398684 /nfs/dbraw/zinc/39/86/84/328398684.db2.gz NMYVQADHSHWYJB-UHFFFAOYSA-N 1 1 266.772 3.177 20 30 CGEDMO C=CCOCC[N@H+](C)Cc1csc(Br)c1 ZINC000338924525 327007503 /nfs/dbraw/zinc/00/75/03/327007503.db2.gz HPHBLASTWKHWNL-UHFFFAOYSA-N 1 1 290.226 3.145 20 30 CGEDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)CCCSCC#N ZINC000074980434 327122514 /nfs/dbraw/zinc/12/25/14/327122514.db2.gz DELZJEULXYSNEO-GFCCVEGCSA-N 1 1 266.385 3.465 20 30 CGEDMO COc1ccc2c(c1)CCC[N@@H+]([C@H]1CC[C@@H](C#N)C1)C2 ZINC000559070807 327140099 /nfs/dbraw/zinc/14/00/99/327140099.db2.gz GCQFWECGYUOFPJ-CJNGLKHVSA-N 1 1 270.376 3.136 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000569455747 327180218 /nfs/dbraw/zinc/18/02/18/327180218.db2.gz BNDUNHCYNZIMHB-HUUCEWRRSA-N 1 1 264.413 3.207 20 30 CGEDMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000578334748 327317529 /nfs/dbraw/zinc/31/75/29/327317529.db2.gz WUONBJYBYXIUHX-XJKSGUPXSA-N 1 1 257.381 3.354 20 30 CGEDMO Cc1c(C[N@@H+](C)CCC2(C#N)CCCCC2)cnn1C ZINC000560708146 327338117 /nfs/dbraw/zinc/33/81/17/327338117.db2.gz VVTCIZHDXDMOSZ-UHFFFAOYSA-N 1 1 274.412 3.025 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H]2CCO)cc1Cl ZINC000428459679 327380543 /nfs/dbraw/zinc/38/05/43/327380543.db2.gz NEXSJMTYAIYGIO-AWEZNQCLSA-N 1 1 295.810 3.252 20 30 CGEDMO CC#CCC[N@H+](C)Cc1cc(Cl)ccc1OC ZINC000155017220 327389325 /nfs/dbraw/zinc/38/93/25/327389325.db2.gz AYDQDOAFHGFPAI-UHFFFAOYSA-N 1 1 251.757 3.194 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000150902962 327397067 /nfs/dbraw/zinc/39/70/67/327397067.db2.gz UCRJLZWNTCPBPP-WBVHZDCISA-N 1 1 293.455 3.108 20 30 CGEDMO C=C1CC[NH+](Cc2cc3c(cc2OC)C[C@H](C)O3)CC1 ZINC000536657423 328676968 /nfs/dbraw/zinc/67/69/68/328676968.db2.gz QOIOAWRZPFQZJP-ZDUSSCGKSA-N 1 1 273.376 3.171 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1Cl ZINC000181246368 329227440 /nfs/dbraw/zinc/22/74/40/329227440.db2.gz PFXWZTUUWFRALA-LLVKDONJSA-N 1 1 266.772 3.175 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cnc2c(cnn2C(C)C)c1 ZINC000181255951 329228192 /nfs/dbraw/zinc/22/81/92/329228192.db2.gz RMLCIUFDIVZYPM-UHFFFAOYSA-N 1 1 258.369 3.020 20 30 CGEDMO C=CCCCC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181555778 329234335 /nfs/dbraw/zinc/23/43/35/329234335.db2.gz SFPLLVIJFUPMAO-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184234560 329258174 /nfs/dbraw/zinc/25/81/74/329258174.db2.gz WLRFWLMEGXVOKQ-UHFFFAOYSA-N 1 1 282.315 3.141 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184234560 329258175 /nfs/dbraw/zinc/25/81/75/329258175.db2.gz WLRFWLMEGXVOKQ-UHFFFAOYSA-N 1 1 282.315 3.141 20 30 CGEDMO CN(C)CC1(C[NH2+]CC(C)(C)CCC#N)CCCC1 ZINC000185293043 329270023 /nfs/dbraw/zinc/27/00/23/329270023.db2.gz UGIHJOIGBNRYFX-UHFFFAOYSA-N 1 1 265.445 3.028 20 30 CGEDMO CO[C@@]1(C)CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000230265177 329365672 /nfs/dbraw/zinc/36/56/72/329365672.db2.gz LCYOWAVUKCZGPG-HNNXBMFYSA-N 1 1 252.402 3.207 20 30 CGEDMO C=C(C)[C@@H]([NH2+]Cc1ncccc1O)c1ccc(F)c(F)c1 ZINC000583898706 329530487 /nfs/dbraw/zinc/53/04/87/329530487.db2.gz IDWQWOCKKBGFLX-MRXNPFEDSA-N 1 1 290.313 3.472 20 30 CGEDMO C=CCC1(C(=O)N(C)C[C@H]2CCC[N@H+]2C)CCCCC1 ZINC000421713286 330069461 /nfs/dbraw/zinc/06/94/61/330069461.db2.gz SJJSXLZCBDKBMT-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO N#Cc1cccc(NC[C@@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC000580419174 330128396 /nfs/dbraw/zinc/12/83/96/330128396.db2.gz GLWBWBMXBQVSQJ-INIZCTEOSA-N 1 1 284.407 3.162 20 30 CGEDMO C=CCn1cc(C[NH2+][C@H](C)c2ccc3c(c2)CCCC3)nn1 ZINC000424296691 330336253 /nfs/dbraw/zinc/33/62/53/330336253.db2.gz PFQYTQGOYXGNQJ-CQSZACIVSA-N 1 1 296.418 3.194 20 30 CGEDMO C[C@H]1CN(CCCCC#N)C(C)(C)C[N@H+]1CCCCC#N ZINC000451075326 331015004 /nfs/dbraw/zinc/01/50/04/331015004.db2.gz ASKSDOKTXIOUDJ-INIZCTEOSA-N 1 1 290.455 3.159 20 30 CGEDMO C[C@H]1C[N@H+](CCCCC#N)C(C)(C)CN1CCCCC#N ZINC000451075326 331015005 /nfs/dbraw/zinc/01/50/05/331015005.db2.gz ASKSDOKTXIOUDJ-INIZCTEOSA-N 1 1 290.455 3.159 20 30 CGEDMO C[C@H]1C[N@@H+](CCCCC#N)C(C)(C)CN1CCCCC#N ZINC000451075326 331015006 /nfs/dbraw/zinc/01/50/06/331015006.db2.gz ASKSDOKTXIOUDJ-INIZCTEOSA-N 1 1 290.455 3.159 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC000451332268 331024741 /nfs/dbraw/zinc/02/47/41/331024741.db2.gz OZAGLCQOWHWSBZ-CQSZACIVSA-N 1 1 253.773 3.271 20 30 CGEDMO CO[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1C ZINC000451543071 331033612 /nfs/dbraw/zinc/03/36/12/331033612.db2.gz KTZOBKXWASJHMH-CZUORRHYSA-N 1 1 277.795 3.048 20 30 CGEDMO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1csc([C@@H](C)OCC)n1 ZINC000451675315 331038454 /nfs/dbraw/zinc/03/84/54/331038454.db2.gz PCNMDHMHVXLFGP-BNOWGMLFSA-N 1 1 296.436 3.064 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000451974133 331049006 /nfs/dbraw/zinc/04/90/06/331049006.db2.gz RTZUORROWKLBGX-BBRMVZONSA-N 1 1 281.346 3.429 20 30 CGEDMO C=CC(C)(C)CNC(=O)[C@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000452781280 331077639 /nfs/dbraw/zinc/07/76/39/331077639.db2.gz HGPXZHOZUWJFFC-INIZCTEOSA-N 1 1 288.435 3.225 20 30 CGEDMO CC(C)c1[nH+]ccn1CCC(=O)Nc1cccc(CC#N)c1 ZINC000456741090 331199649 /nfs/dbraw/zinc/19/96/49/331199649.db2.gz XTVNTJVPNVTWPM-UHFFFAOYSA-N 1 1 296.374 3.101 20 30 CGEDMO CC[N@@H+](CCc1cccc(Cl)c1)C[C@@H](C)C#N ZINC000459324370 331276201 /nfs/dbraw/zinc/27/62/01/331276201.db2.gz JQMFWXFVOKATGN-LBPRGKRZSA-N 1 1 250.773 3.364 20 30 CGEDMO N#CCC[N@@H+](CC1CC1)CC1CCC(F)(F)CC1 ZINC000459346157 331277283 /nfs/dbraw/zinc/27/72/83/331277283.db2.gz BOLLRFMIPBGITF-UHFFFAOYSA-N 1 1 256.340 3.438 20 30 CGEDMO CC(C)(CC#N)CNC1CC[NH+](C2CCCCC2)CC1 ZINC000459738902 331297186 /nfs/dbraw/zinc/29/71/86/331297186.db2.gz YIFNVTYSZZUVER-UHFFFAOYSA-N 1 1 277.456 3.313 20 30 CGEDMO CC#CCC[N@H+]1CCc2cc(OCCC)ccc2C1 ZINC000462356823 331320278 /nfs/dbraw/zinc/32/02/78/331320278.db2.gz RSNJYOKVDXTWEQ-UHFFFAOYSA-N 1 1 257.377 3.247 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(OC)cc1 ZINC000489477808 332055427 /nfs/dbraw/zinc/05/54/27/332055427.db2.gz MMFWAYJVSCIIJI-OAHLLOKOSA-N 1 1 288.391 3.064 20 30 CGEDMO C#CC[N@@H+](Cc1nccn1C(C)C)C1CCCCC1 ZINC000490850198 332120312 /nfs/dbraw/zinc/12/03/12/332120312.db2.gz ARKRCBCUIAVWOM-UHFFFAOYSA-N 1 1 259.397 3.232 20 30 CGEDMO C#CC[N@H+](Cc1nccn1C(C)C)C1CCCCC1 ZINC000490850198 332120314 /nfs/dbraw/zinc/12/03/14/332120314.db2.gz ARKRCBCUIAVWOM-UHFFFAOYSA-N 1 1 259.397 3.232 20 30 CGEDMO Clc1cccc(C#CC[N@H+]2CC[C@H](C3CC3)C2)c1 ZINC000491161175 332158872 /nfs/dbraw/zinc/15/88/72/332158872.db2.gz JUXFJFLVEBGPKG-HNNXBMFYSA-N 1 1 259.780 3.423 20 30 CGEDMO C#CCN(C(=O)Nc1cc(C)c2[nH+]ccn2c1)C1CCCC1 ZINC000491393250 332203206 /nfs/dbraw/zinc/20/32/06/332203206.db2.gz GXSRUCGLEKPSCT-UHFFFAOYSA-N 1 1 296.374 3.052 20 30 CGEDMO C#C[C@@H](C)N(C)C(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000491452797 332214275 /nfs/dbraw/zinc/21/42/75/332214275.db2.gz NHRGRRZUABKREO-OAHLLOKOSA-N 1 1 286.419 3.011 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)Cc1cccc(NC(C)=O)c1 ZINC000491658919 332269756 /nfs/dbraw/zinc/26/97/56/332269756.db2.gz KNPZOKCTYWRZOK-UHFFFAOYSA-N 1 1 292.382 3.280 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1cccc(NC(C)=O)c1 ZINC000491658919 332269757 /nfs/dbraw/zinc/26/97/57/332269757.db2.gz KNPZOKCTYWRZOK-UHFFFAOYSA-N 1 1 292.382 3.280 20 30 CGEDMO C#C[C@H]([NH2+]Cc1ccc2c(c1)ncn2C)c1ccc(F)cc1 ZINC000491749589 332326568 /nfs/dbraw/zinc/32/65/68/332326568.db2.gz QVLBHJSDENVRJB-INIZCTEOSA-N 1 1 293.345 3.177 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1cnc(-c2cccs2)s1 ZINC000491767117 332335144 /nfs/dbraw/zinc/33/51/44/332335144.db2.gz GITLWLGXUMGASR-SNVBAGLBSA-N 1 1 262.403 3.325 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cnc(-c2cccs2)s1 ZINC000491767117 332335145 /nfs/dbraw/zinc/33/51/45/332335145.db2.gz GITLWLGXUMGASR-SNVBAGLBSA-N 1 1 262.403 3.325 20 30 CGEDMO C#C[C@H]([NH2+][C@H](C)Cn1cccn1)c1ccc(Cl)cc1F ZINC000491770454 332337333 /nfs/dbraw/zinc/33/73/33/332337333.db2.gz OOETTYZOBQHIMG-ABAIWWIYSA-N 1 1 291.757 3.028 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1nc(C)ccc1O)c1ccc(Cl)cc1 ZINC000491772275 332338588 /nfs/dbraw/zinc/33/85/88/332338588.db2.gz QGLWUADAVIJELB-CQSZACIVSA-N 1 1 286.762 3.213 20 30 CGEDMO N#CC[N@H+](CCCCC1CCOCC1)C1CCCC1 ZINC000311520614 333069478 /nfs/dbraw/zinc/06/94/78/333069478.db2.gz VNAPTLVYRXRHDA-UHFFFAOYSA-N 1 1 264.413 3.351 20 30 CGEDMO N#CC[N@@H+](CCCCC1CCOCC1)C1CCCC1 ZINC000311520614 333069480 /nfs/dbraw/zinc/06/94/80/333069480.db2.gz VNAPTLVYRXRHDA-UHFFFAOYSA-N 1 1 264.413 3.351 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccccc1CC ZINC000193174825 333244094 /nfs/dbraw/zinc/24/40/94/333244094.db2.gz UPRBKYNFNOXWBB-AWEZNQCLSA-N 1 1 274.408 3.474 20 30 CGEDMO Cc1[nH+]c2ccccc2c(N(C)C[C@@H](C)C#N)c1C ZINC000543136103 333859836 /nfs/dbraw/zinc/85/98/36/333859836.db2.gz VXUJNNKIIVZSBF-NSHDSACASA-N 1 1 253.349 3.448 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@H]1C(=O)OC(C)(C)C ZINC000546608994 334039869 /nfs/dbraw/zinc/03/98/69/334039869.db2.gz JEAOEZZDMJKGOB-ZDUSSCGKSA-N 1 1 253.386 3.149 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000075617709 334047410 /nfs/dbraw/zinc/04/74/10/334047410.db2.gz VXJQUOLHTZXXKT-UHFFFAOYSA-N 1 1 273.355 3.409 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000075617709 334047411 /nfs/dbraw/zinc/04/74/11/334047411.db2.gz VXJQUOLHTZXXKT-UHFFFAOYSA-N 1 1 273.355 3.409 20 30 CGEDMO C[N@H+](Cc1ccccc1C(C)(C)C#N)C[C@@H]1CCCOC1 ZINC000135206863 334119851 /nfs/dbraw/zinc/11/98/51/334119851.db2.gz RITDFOQKHZVHER-HNNXBMFYSA-N 1 1 286.419 3.346 20 30 CGEDMO C=CCOCCC[N@H+]1CCc2cccc(F)c2[C@H]1C ZINC000548095427 334139308 /nfs/dbraw/zinc/13/93/08/334139308.db2.gz GEFJULYFYDFPEA-CYBMUJFWSA-N 1 1 263.356 3.338 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000548094219 334139351 /nfs/dbraw/zinc/13/93/51/334139351.db2.gz FMJGIGXSIARHCG-XHSDSOJGSA-N 1 1 251.414 3.480 20 30 CGEDMO C=CCOCC[N@H+](C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000549844422 334206447 /nfs/dbraw/zinc/20/64/47/334206447.db2.gz UJTFVIJVPQKDSD-ZDUSSCGKSA-N 1 1 267.800 3.405 20 30 CGEDMO C[C@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)[C@@H](C)CO1 ZINC000246856784 334270594 /nfs/dbraw/zinc/27/05/94/334270594.db2.gz KYYMXVNNAHIQGZ-KBPBESRZSA-N 1 1 272.392 3.097 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@@H](C)CO1 ZINC000246856784 334270595 /nfs/dbraw/zinc/27/05/95/334270595.db2.gz KYYMXVNNAHIQGZ-KBPBESRZSA-N 1 1 272.392 3.097 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000552214693 334303995 /nfs/dbraw/zinc/30/39/95/334303995.db2.gz DEQRYCKSHVTTAU-XHDPSFHLSA-N 1 1 273.767 3.360 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000249359502 334332360 /nfs/dbraw/zinc/33/23/60/334332360.db2.gz ZVSOQLMYZIJKHZ-CVEARBPZSA-N 1 1 288.435 3.459 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000552811496 334345923 /nfs/dbraw/zinc/34/59/23/334345923.db2.gz HZQONHQRPLBBAL-SMDDNHRTSA-N 1 1 289.379 3.396 20 30 CGEDMO CN(C)[C@@H](C[NH2+]Cc1cc(C#N)cs1)C1CCCCC1 ZINC000177686200 335378829 /nfs/dbraw/zinc/37/88/29/335378829.db2.gz QLWVSMAAEGOXBO-INIZCTEOSA-N 1 1 291.464 3.220 20 30 CGEDMO Cc1ccnc([C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)c1 ZINC000577743609 335395548 /nfs/dbraw/zinc/39/55/48/335395548.db2.gz VFUABPCWQUEEKT-CYBMUJFWSA-N 1 1 283.400 3.313 20 30 CGEDMO C[C@@H](C#N)C[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000183812988 335907017 /nfs/dbraw/zinc/90/70/17/335907017.db2.gz WJHBJXLVWSYSMW-ZDUSSCGKSA-N 1 1 258.365 3.257 20 30 CGEDMO Cc1cc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)on1 ZINC000194963183 336041120 /nfs/dbraw/zinc/04/11/20/336041120.db2.gz AKKKJPUNYLCWIO-UHFFFAOYSA-N 1 1 267.332 3.019 20 30 CGEDMO Cc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)on1 ZINC000194963183 336041122 /nfs/dbraw/zinc/04/11/22/336041122.db2.gz AKKKJPUNYLCWIO-UHFFFAOYSA-N 1 1 267.332 3.019 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)nc1 ZINC000581378058 336065015 /nfs/dbraw/zinc/06/50/15/336065015.db2.gz XPOCTAIWQSUDMI-ZDUSSCGKSA-N 1 1 299.324 3.221 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)nc1 ZINC000581378058 336065016 /nfs/dbraw/zinc/06/50/16/336065016.db2.gz XPOCTAIWQSUDMI-ZDUSSCGKSA-N 1 1 299.324 3.221 20 30 CGEDMO C=CCCCC[N@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000581984591 336184597 /nfs/dbraw/zinc/18/45/97/336184597.db2.gz OTBQISCKYJMCJF-DLBZAZTESA-N 1 1 277.383 3.143 20 30 CGEDMO C[C@H]1CC[C@]2(CC[N@@H+](CCOc3ccccc3C#N)C2)C1 ZINC000359553104 533774749 /nfs/dbraw/zinc/77/47/49/533774749.db2.gz HEJMWRSCMLUAAO-YJBOKZPZSA-N 1 1 284.403 3.449 20 30 CGEDMO COc1cc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)ccn1 ZINC000425537770 533791209 /nfs/dbraw/zinc/79/12/09/533791209.db2.gz RDUQYECYBLIAAR-ZDUSSCGKSA-N 1 1 281.359 3.155 20 30 CGEDMO COc1cc(C[NH2+][C@@H]2C[C@]2(F)c2ccccc2)ccc1C#N ZINC000424208726 533902730 /nfs/dbraw/zinc/90/27/30/533902730.db2.gz YTAIGAZNNPTXLR-MSOLQXFVSA-N 1 1 296.345 3.294 20 30 CGEDMO Cc1ccc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)nn1 ZINC000414374875 533903445 /nfs/dbraw/zinc/90/34/45/533903445.db2.gz XALHVAUYNUGIEA-UHFFFAOYSA-N 1 1 280.375 3.067 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)C1CCCCC1 ZINC000425542495 534080904 /nfs/dbraw/zinc/08/09/04/534080904.db2.gz YEIRQBKLBQNNRU-KSSFIOAISA-N 1 1 286.419 3.492 20 30 CGEDMO C[C@@H]1CC[C@@]2(CC[N@@H+](CCOc3cccc(C#N)c3)C2)C1 ZINC000359554982 534204354 /nfs/dbraw/zinc/20/43/54/534204354.db2.gz JOIJXBGMBGFVNA-CRAIPNDOSA-N 1 1 284.403 3.449 20 30 CGEDMO C[C@@H]1CC[C@]2(CC[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)C1 ZINC000364674105 534264975 /nfs/dbraw/zinc/26/49/75/534264975.db2.gz IGVOOZBHPRTXPA-OLMNPRSZSA-N 1 1 284.403 3.104 20 30 CGEDMO C[C@@H]1CC[C@]2(CC[N@@H+](C[C@H](O)c3ccc(C#N)cc3)C2)C1 ZINC000364674104 534265364 /nfs/dbraw/zinc/26/53/64/534265364.db2.gz IGVOOZBHPRTXPA-JLSDUUJJSA-N 1 1 284.403 3.104 20 30 CGEDMO C[C@@H](F)CC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000367134598 534276624 /nfs/dbraw/zinc/27/66/24/534276624.db2.gz ZVKQDNGEVULLSU-CYBMUJFWSA-N 1 1 258.340 3.395 20 30 CGEDMO Cc1noc(C)c1CC[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425532731 534338531 /nfs/dbraw/zinc/33/85/31/534338531.db2.gz JXFRFIYRIMPPOE-ZDUSSCGKSA-N 1 1 283.375 3.399 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+](C)Cc2ccncc2)cc1 ZINC000183737459 518251914 /nfs/dbraw/zinc/25/19/14/518251914.db2.gz XKLWSKNDLITSAJ-UHFFFAOYSA-N 1 1 280.371 3.116 20 30 CGEDMO C#CCOc1ccc(C[N@H+](C)[C@H](C)c2ccncc2)cc1 ZINC000183713862 518324201 /nfs/dbraw/zinc/32/42/01/518324201.db2.gz AOSVFMBPDZDOAD-OAHLLOKOSA-N 1 1 280.371 3.287 20 30 CGEDMO Cc1ccc2nc(C[NH2+]C3CCC(C)(C#N)CC3)[nH]c2c1 ZINC000336221447 534501983 /nfs/dbraw/zinc/50/19/83/534501983.db2.gz HVKJVNWUYBNQMO-UHFFFAOYSA-N 1 1 282.391 3.433 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)cc1F ZINC000365277127 534782326 /nfs/dbraw/zinc/78/23/26/534782326.db2.gz SWFWNZWIRGGZGC-INIZCTEOSA-N 1 1 295.361 3.157 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccnc(C)n1 ZINC000350700389 526314856 /nfs/dbraw/zinc/31/48/56/526314856.db2.gz NQJQLKIAXDFAIG-UHFFFAOYSA-N 1 1 267.376 3.016 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cn2ccccc2n1 ZINC000352700006 526327466 /nfs/dbraw/zinc/32/74/66/526327466.db2.gz JRLLWTRCUNZUBZ-UHFFFAOYSA-N 1 1 281.359 3.158 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1cn2ccccc2n1 ZINC000352700006 526327468 /nfs/dbraw/zinc/32/74/68/526327468.db2.gz JRLLWTRCUNZUBZ-UHFFFAOYSA-N 1 1 281.359 3.158 20 30 CGEDMO C=C(C)CC[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000352112088 526439466 /nfs/dbraw/zinc/43/94/66/526439466.db2.gz ABOALTPCWQMCKH-UHFFFAOYSA-N 1 1 255.365 3.270 20 30 CGEDMO C=C(C)CN1CCC([NH2+]Cc2ccccc2Cl)CC1 ZINC000106245985 526604395 /nfs/dbraw/zinc/60/43/95/526604395.db2.gz CNLQYLRMQHQMSN-UHFFFAOYSA-N 1 1 278.827 3.470 20 30 CGEDMO C=CCNC(=O)[C@@H](C)Nc1ccc([N@@H+](C)CCCC)cc1 ZINC000107312390 526628162 /nfs/dbraw/zinc/62/81/62/526628162.db2.gz ZNEGCKNKNFYIRG-CQSZACIVSA-N 1 1 289.423 3.026 20 30 CGEDMO C=CCNC(=O)[C@@H](C)Nc1ccc([N@H+](C)CCCC)cc1 ZINC000107312390 526628167 /nfs/dbraw/zinc/62/81/67/526628167.db2.gz ZNEGCKNKNFYIRG-CQSZACIVSA-N 1 1 289.423 3.026 20 30 CGEDMO C=CCOCCC[N@H+](Cc1ccccc1F)C1CC1 ZINC000347970024 526749045 /nfs/dbraw/zinc/74/90/45/526749045.db2.gz VGYZWLGFJTUQCG-UHFFFAOYSA-N 1 1 263.356 3.383 20 30 CGEDMO C=CCOCCC[N@@H+]1CCC[C@@H]1Cc1ccccc1OC ZINC000347970892 526753695 /nfs/dbraw/zinc/75/36/95/526753695.db2.gz XSTOYZMXQHFKFI-QGZVFWFLSA-N 1 1 289.419 3.295 20 30 CGEDMO C=CCOCCC[N@@H+]1CCC[C@H]1c1cccc(OC)c1 ZINC000347962112 526754070 /nfs/dbraw/zinc/75/40/70/526754070.db2.gz IHSZVJNZFQZHTL-KRWDZBQOSA-N 1 1 275.392 3.425 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000347958823 526756677 /nfs/dbraw/zinc/75/66/77/526756677.db2.gz CIMOBUZBMSDWNG-MRXNPFEDSA-N 1 1 275.392 3.077 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000354727606 526986036 /nfs/dbraw/zinc/98/60/36/526986036.db2.gz KGSRFIRVOYCUOM-OAHLLOKOSA-N 1 1 264.413 3.207 20 30 CGEDMO C=CCCC[N@H+]1CCCN(Cc2ccccc2)CC1 ZINC000344600326 527196371 /nfs/dbraw/zinc/19/63/71/527196371.db2.gz MEDOTZAFVNLQRJ-UHFFFAOYSA-N 1 1 258.409 3.161 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000352022267 527453485 /nfs/dbraw/zinc/45/34/85/527453485.db2.gz OGAUHVRROYZZPW-CQSZACIVSA-N 1 1 293.357 3.381 20 30 CGEDMO C=CCC[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccco1 ZINC000353533971 527487012 /nfs/dbraw/zinc/48/70/12/527487012.db2.gz YKVNZIPDBIWYRH-KFWWJZLASA-N 1 1 262.397 3.359 20 30 CGEDMO C=CCC[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1ccco1 ZINC000353533971 527487020 /nfs/dbraw/zinc/48/70/20/527487020.db2.gz YKVNZIPDBIWYRH-KFWWJZLASA-N 1 1 262.397 3.359 20 30 CGEDMO CCC1CCC([N@@H+](CCO)CCC(C)(C)C#N)CC1 ZINC000347139507 527842637 /nfs/dbraw/zinc/84/26/37/527842637.db2.gz YUIVDUDKCLMDQR-UHFFFAOYSA-N 1 1 266.429 3.189 20 30 CGEDMO CC[N@H+]1C[C@@H](C)N(Cc2ccc(C#N)cc2Cl)C[C@@H]1C ZINC000439467173 527931872 /nfs/dbraw/zinc/93/18/72/527931872.db2.gz YHZMPGCMVZNBPC-QWHCGFSZSA-N 1 1 291.826 3.126 20 30 CGEDMO CC(C)COCC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425538067 528095644 /nfs/dbraw/zinc/09/56/44/528095644.db2.gz RFANMDDUKAVKHX-AWEZNQCLSA-N 1 1 260.381 3.224 20 30 CGEDMO CCOC1CC(C[N@@H+](CCC#N)CC(C)(C)C)C1 ZINC000352024771 528496790 /nfs/dbraw/zinc/49/67/90/528496790.db2.gz ITMKXKBZIGLDCB-UHFFFAOYSA-N 1 1 252.402 3.063 20 30 CGEDMO CCC[C@@H](C)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000177242373 528889455 /nfs/dbraw/zinc/88/94/55/528889455.db2.gz GQSFNPDUTHHMDE-MRXNPFEDSA-N 1 1 285.435 3.255 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(CC#N)cc2)[C@@H]1[C@H]1CCCO1 ZINC000351968536 529123711 /nfs/dbraw/zinc/12/37/11/529123711.db2.gz QZLWBVPKJSHDFY-IAGOWNOFSA-N 1 1 284.403 3.142 20 30 CGEDMO CN(C)c1ccc(C=[NH+]Nc2ccc(C#N)cc2)cc1F ZINC000727651386 571759158 /nfs/dbraw/zinc/75/91/58/571759158.db2.gz WNATVDUHWXCOSY-UHFFFAOYSA-N 1 1 282.322 3.209 20 30 CGEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cc2ccccc2s1 ZINC000729809136 571932567 /nfs/dbraw/zinc/93/25/67/571932567.db2.gz IODXSNXIOVGJEU-CQSZACIVSA-N 1 1 299.395 3.156 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cc2ccccc2s1 ZINC000729809136 571932570 /nfs/dbraw/zinc/93/25/70/571932570.db2.gz IODXSNXIOVGJEU-CQSZACIVSA-N 1 1 299.395 3.156 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccc2cc(OC)ccc2c1 ZINC000746142557 571954342 /nfs/dbraw/zinc/95/43/42/571954342.db2.gz AARISGANUMONBX-UHFFFAOYSA-N 1 1 253.345 3.304 20 30 CGEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+](C)[C@@H](C)C(C)C ZINC000739836716 572425170 /nfs/dbraw/zinc/42/51/70/572425170.db2.gz JWLDNIFKDLPIHH-ZDUSSCGKSA-N 1 1 297.406 3.059 20 30 CGEDMO C=C(Cl)COC(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC000731909323 572435768 /nfs/dbraw/zinc/43/57/68/572435768.db2.gz SMSJEHNLYMZLKQ-AWEZNQCLSA-N 1 1 281.783 3.365 20 30 CGEDMO N#Cc1ccc(OCCC[N@H+]2CC[C@@H](c3ccco3)C2)cc1 ZINC000732205335 572452864 /nfs/dbraw/zinc/45/28/64/572452864.db2.gz GHVQSKHOBHMWBA-MRXNPFEDSA-N 1 1 296.370 3.410 20 30 CGEDMO C=C(Cl)C[N@@H+](CCCOC)CCc1ccc(OC)cc1 ZINC000734638454 572675100 /nfs/dbraw/zinc/67/51/00/572675100.db2.gz JMFBKDRNRMEXFF-UHFFFAOYSA-N 1 1 297.826 3.329 20 30 CGEDMO C=CCCCOC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000735536175 572728666 /nfs/dbraw/zinc/72/86/66/572728666.db2.gz NDTYGJJEJIHESX-INIZCTEOSA-N 1 1 273.376 3.160 20 30 CGEDMO C=CCCCOC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000735536175 572728668 /nfs/dbraw/zinc/72/86/68/572728668.db2.gz NDTYGJJEJIHESX-INIZCTEOSA-N 1 1 273.376 3.160 20 30 CGEDMO C#CC[N@H+](C[C@@H]1CC1(Cl)Cl)C1CCCCC1 ZINC000744739301 572770773 /nfs/dbraw/zinc/77/07/73/572770773.db2.gz SQXRMVURYFTKOS-NSHDSACASA-N 1 1 260.208 3.448 20 30 CGEDMO C#CC[N@@H+](CC)[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000746456913 572871797 /nfs/dbraw/zinc/87/17/97/572871797.db2.gz RRUKRULQMXEVOC-JTQLQIEISA-N 1 1 299.201 3.276 20 30 CGEDMO C#CC[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000746456913 572871800 /nfs/dbraw/zinc/87/18/00/572871800.db2.gz RRUKRULQMXEVOC-JTQLQIEISA-N 1 1 299.201 3.276 20 30 CGEDMO C#CC[N@@H+](CC)CCOc1ccccc1C(F)(F)F ZINC000746456761 572871940 /nfs/dbraw/zinc/87/19/40/572871940.db2.gz HUORWKVHRSJOCA-UHFFFAOYSA-N 1 1 271.282 3.039 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000747790828 572949583 /nfs/dbraw/zinc/94/95/83/572949583.db2.gz QGOSMPDNOOIDEM-GJZGRUSLSA-N 1 1 265.784 3.327 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000747790828 572949586 /nfs/dbraw/zinc/94/95/86/572949586.db2.gz QGOSMPDNOOIDEM-GJZGRUSLSA-N 1 1 265.784 3.327 20 30 CGEDMO C#Cc1cccc(NC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)c1 ZINC000749118152 572989307 /nfs/dbraw/zinc/98/93/07/572989307.db2.gz ANFRTKZBUGNVCM-RHSMWYFYSA-N 1 1 299.418 3.004 20 30 CGEDMO C#Cc1cccc(NC(=O)N(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)c1 ZINC000749118151 572989322 /nfs/dbraw/zinc/98/93/22/572989322.db2.gz ANFRTKZBUGNVCM-PBHICJAKSA-N 1 1 299.418 3.004 20 30 CGEDMO C=C(Cl)CN1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000749243646 572991167 /nfs/dbraw/zinc/99/11/67/572991167.db2.gz YTJBIPGXYZFSCK-HZSPNIEDSA-N 1 1 256.821 3.076 20 30 CGEDMO C=C(C)C[NH2+]Cc1cc(C)cc(Br)c1O ZINC000309080212 618620369 /nfs/dbraw/zinc/62/03/69/618620369.db2.gz OKBWLDFIINDFPC-UHFFFAOYSA-N 1 1 270.170 3.129 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(C)C)cc2)C[C@@H]1C ZINC000947968383 613234442 /nfs/dbraw/zinc/23/44/42/613234442.db2.gz YQFDVLSNEJEHGI-MAUKXSAKSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CC)C1 ZINC000963345576 613240829 /nfs/dbraw/zinc/24/08/29/613240829.db2.gz HBVCJSSKJCFTRB-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC1(C)C ZINC000968816580 613251231 /nfs/dbraw/zinc/25/12/31/613251231.db2.gz YMYPDUXWDXLWLQ-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)C2CCC(F)CC2)CC1 ZINC000981889391 613251887 /nfs/dbraw/zinc/25/18/87/613251887.db2.gz ZMYURHONXPLYNM-UHFFFAOYSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)C[C@H]2CC[C@H](C)C2)CC1 ZINC000981783061 613252986 /nfs/dbraw/zinc/25/29/86/613252986.db2.gz DVIRMVWKCWZUGN-IRXDYDNUSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)c2ccc(C)s2)CC1 ZINC000980636428 613254845 /nfs/dbraw/zinc/25/48/45/613254845.db2.gz VFHOMWZRZCGGRX-UHFFFAOYSA-N 1 1 292.448 3.171 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)c2occc2Cl)CC1 ZINC000981895835 613255867 /nfs/dbraw/zinc/25/58/67/613255867.db2.gz VVKXYHJHRDIYHY-UHFFFAOYSA-N 1 1 296.798 3.047 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2(C)CCC2)C[C@H]1C ZINC000947619170 613265248 /nfs/dbraw/zinc/26/52/48/613265248.db2.gz FTPNFCNNJYLARZ-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccsc2)C1 ZINC000964933861 613269403 /nfs/dbraw/zinc/26/94/03/613269403.db2.gz IZYXOGJWLJGNTC-ZFWWWQNUSA-N 1 1 292.448 3.155 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C(C)C)c2)C[C@@H]1C ZINC000947896018 613269691 /nfs/dbraw/zinc/26/96/91/613269691.db2.gz UHIADZFIXVBVNC-YJBOKZPZSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)C(C)=C2CCC2)[C@H](C)C1 ZINC000942041110 613270574 /nfs/dbraw/zinc/27/05/74/613270574.db2.gz KUIVXEHGGAEPFX-PBHICJAKSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2(C)CC=CC2)C[C@H]1C ZINC000947693550 613270623 /nfs/dbraw/zinc/27/06/23/613270623.db2.gz OEKVABBOHFSFDD-CVEARBPZSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cc(C)co2)C[C@@H]1C ZINC000947629996 613271776 /nfs/dbraw/zinc/27/17/76/613271776.db2.gz SIVSEULDGDMXBD-GJZGRUSLSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC2(C)C)C(C)(C)C1 ZINC000974942031 613273984 /nfs/dbraw/zinc/27/39/84/613273984.db2.gz CWWBMZRUYNFYLK-HUUCEWRRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)CC2CCCCC2)C1 ZINC000971026635 613283235 /nfs/dbraw/zinc/28/32/35/613283235.db2.gz SXZKUULNTCAMIY-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2cc(C)sc2C)C1 ZINC000971885617 613285934 /nfs/dbraw/zinc/28/59/34/613285934.db2.gz OSWZWMQWUNXCSM-CQSZACIVSA-N 1 1 292.448 3.087 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H](C)C(C)(C)C)C2)C1 ZINC000981847207 613305232 /nfs/dbraw/zinc/30/52/32/613305232.db2.gz UVIDHDMLWSBOCO-HNNXBMFYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC12CCC2 ZINC000969054553 613307348 /nfs/dbraw/zinc/30/73/48/613307348.db2.gz UKRBHZHXRMDTNN-JKSUJKDBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)C2CCCCCCC2)CC1 ZINC000981595316 613307768 /nfs/dbraw/zinc/30/77/68/613307768.db2.gz KGNGKIBVQMGSGR-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2CCC(=C)CC2)C1 ZINC000968190791 613325516 /nfs/dbraw/zinc/32/55/16/613325516.db2.gz MHRMSKYOYYRZPA-NVXWUHKLSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2sccc2C)C[C@@H]1C ZINC000946995710 613332022 /nfs/dbraw/zinc/33/20/22/613332022.db2.gz LQNZVMMBANNGGV-UONOGXRCSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C(F)=C2CCCC2)C(C)(C)C1 ZINC000973041190 613337598 /nfs/dbraw/zinc/33/75/98/613337598.db2.gz UXXXLTRORJPRMZ-CQSZACIVSA-N 1 1 294.414 3.187 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)CCC2CC2)C1 ZINC000971603804 613367767 /nfs/dbraw/zinc/36/77/67/613367767.db2.gz WMJUOXJUFPYMKE-AWEZNQCLSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)CC2=CCCCC2)C1 ZINC000971214393 613369718 /nfs/dbraw/zinc/36/97/18/613369718.db2.gz QYNKTTRVZZWCQO-HNNXBMFYSA-N 1 1 296.842 3.162 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)CC2=CCCCC2)C1 ZINC000971214393 613369719 /nfs/dbraw/zinc/36/97/19/613369719.db2.gz QYNKTTRVZZWCQO-HNNXBMFYSA-N 1 1 296.842 3.162 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)C1CC(C)C1 ZINC000968806740 613372833 /nfs/dbraw/zinc/37/28/33/613372833.db2.gz NZPCZBMLMZDXKJ-ZALBZXLWSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)C1CC(C)C1 ZINC000968806740 613372834 /nfs/dbraw/zinc/37/28/34/613372834.db2.gz NZPCZBMLMZDXKJ-ZALBZXLWSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](N(C)C(=O)C2(C)CCC2)CC1 ZINC000948680084 613374147 /nfs/dbraw/zinc/37/41/47/613374147.db2.gz DNBLYYFWONTDNI-CQSZACIVSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccsc2)C[C@@H]1C ZINC000947001318 613379107 /nfs/dbraw/zinc/37/91/07/613379107.db2.gz NXYIKMXNOSYGRD-AAEUAGOBSA-N 1 1 298.839 3.083 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccsc2)C[C@@H]1C ZINC000947001318 613379108 /nfs/dbraw/zinc/37/91/08/613379108.db2.gz NXYIKMXNOSYGRD-AAEUAGOBSA-N 1 1 298.839 3.083 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)C)C[C@H]2C1 ZINC000980226197 613380489 /nfs/dbraw/zinc/38/04/89/613380489.db2.gz PGYKGSQQSVGJRM-MELADBBJSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C1CC(C)(C(=O)N(C)[C@@H]2CCC[N@H+](CCC)CC2)C1 ZINC000948759056 613392968 /nfs/dbraw/zinc/39/29/68/613392968.db2.gz QKJJNBPLVOOIAF-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C1CC(C)(C(=O)N(C)[C@H]2CCC[N@H+](CC(C)C)CC2)C1 ZINC000948758335 613393037 /nfs/dbraw/zinc/39/30/37/613393037.db2.gz DKVFQNSNPLCZQO-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CC=C(C)C)CC[C@@H]2C)C1 ZINC000968276155 613398891 /nfs/dbraw/zinc/39/88/91/613398891.db2.gz VDQYGIDAAUVAJS-JKSUJKDBSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CC=C(C)C)[C@@H](C)C2)C1 ZINC000947702150 613400970 /nfs/dbraw/zinc/40/09/70/613400970.db2.gz KCPSCWBRBPXMES-HOTGVXAUSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H]2CCCCC[N@@H+]2CC)CC1 ZINC000969013782 613407768 /nfs/dbraw/zinc/40/77/68/613407768.db2.gz GPMBCBZZLWUHIH-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2C[N@H+](CCCC)CC2(C)C)CC1 ZINC000975008999 613410923 /nfs/dbraw/zinc/41/09/23/613410923.db2.gz GEUPFZUGRBNUSP-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[C@@H]2CC)C1 ZINC000957072107 613477445 /nfs/dbraw/zinc/47/74/45/613477445.db2.gz ZMMWSRJKYCAXEQ-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+]1CCCN(C(=O)C2CCCCCCC2)CC1 ZINC000981596082 613492500 /nfs/dbraw/zinc/49/25/00/613492500.db2.gz YKUMELAZOKYVMI-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@@H]2CCC)CC1 ZINC000981503800 613495973 /nfs/dbraw/zinc/49/59/73/613495973.db2.gz QTFGPBQJDCDPOV-IRXDYDNUSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C(C)C)CC2)C1 ZINC000961328562 613500171 /nfs/dbraw/zinc/50/01/71/613500171.db2.gz CBLKTOGBMPMCEU-KRWDZBQOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C2CC2)C(C)(C)C1 ZINC000940967957 613518705 /nfs/dbraw/zinc/51/87/05/613518705.db2.gz KUOJKRBNDHTUMT-OAHLLOKOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)C2(F)CCCC2)C(C)(C)C1 ZINC000940851330 613519403 /nfs/dbraw/zinc/51/94/03/613519403.db2.gz VNDYHXFOZUUGPT-CQSZACIVSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C2CCCCC2)C[C@@H]1C ZINC000947005714 613520173 /nfs/dbraw/zinc/52/01/73/613520173.db2.gz SNESGIWLFKDCAL-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2c(C)coc2C)C[C@@H]1C ZINC000947271462 613522959 /nfs/dbraw/zinc/52/29/59/613522959.db2.gz IZDLNGWOWHYQEX-DZGCQCFKSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)c2cccc(C)c2)[C@H](C)C1 ZINC000941776812 613524333 /nfs/dbraw/zinc/52/43/33/613524333.db2.gz LMAURNNOBBDAQC-NVXWUHKLSA-N 1 1 286.419 3.011 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2CCC=CCC2)C[C@H]1C ZINC000948047612 613535025 /nfs/dbraw/zinc/53/50/25/613535025.db2.gz HZPXCSMRXYIVKH-WBVHZDCISA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)C=CCC2)C(C)(C)C1 ZINC000940959211 613536795 /nfs/dbraw/zinc/53/67/95/613536795.db2.gz LKGBSRBLVLRXRV-YJBOKZPZSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC(C)C)C2)C1 ZINC000961120992 613543335 /nfs/dbraw/zinc/54/33/35/613543335.db2.gz WTYYSDSJOMYFOR-SJORKVTESA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C(C)(C)C1 ZINC000974822805 613545017 /nfs/dbraw/zinc/54/50/17/613545017.db2.gz VXXCDJQCDZIDPC-RBSFLKMASA-N 1 1 292.467 3.071 20 30 CGEDMO C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC000969103413 613684177 /nfs/dbraw/zinc/68/41/77/613684177.db2.gz RUOWIXFGZBGLPM-HZPDHXFCSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)CC2CCCCC2)CC1 ZINC000948164554 613701191 /nfs/dbraw/zinc/70/11/91/613701191.db2.gz FVQDTTJGMPJVKA-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)CC)C1 ZINC000963354009 613703581 /nfs/dbraw/zinc/70/35/81/613703581.db2.gz WSVXUJHKMWQJSK-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2CC(C)C)CC1 ZINC000948789256 613704602 /nfs/dbraw/zinc/70/46/02/613704602.db2.gz KEXQUZIKFYTDTH-IXDOHACOSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC000948607606 613704634 /nfs/dbraw/zinc/70/46/34/613704634.db2.gz BVOABJQCDHRZSC-ARFHVFGLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)c2occc2Cl)CC1 ZINC000948743025 613705627 /nfs/dbraw/zinc/70/56/27/613705627.db2.gz NGLXIIXDLCKJKO-LBPRGKRZSA-N 1 1 296.798 3.046 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(CC)CC)C1 ZINC000963252676 613706212 /nfs/dbraw/zinc/70/62/12/613706212.db2.gz XDJQSLPEKTWFBZ-SJORKVTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C=C)cc2)C[C@@H]1C ZINC000947736202 613752410 /nfs/dbraw/zinc/75/24/10/613752410.db2.gz VDDCKHQTXHIDPG-WMLDXEAASA-N 1 1 284.403 3.098 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2Cl)C[C@H]1C ZINC000947958030 613754295 /nfs/dbraw/zinc/75/42/95/613754295.db2.gz OPSITOOJPVXBLY-CHWSQXEVSA-N 1 1 292.810 3.109 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2csc(C)c2)C(C)(C)C1 ZINC000941098956 613760240 /nfs/dbraw/zinc/76/02/40/613760240.db2.gz IYVKPUHFHGRRAR-CQSZACIVSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)C(C)(C)C2CCCC2)[C@H](C)C1 ZINC000942134833 613779027 /nfs/dbraw/zinc/77/90/27/613779027.db2.gz BQXHHIOKQLJUCU-ZBFHGGJFSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC=CCC2)C(C)(C)C1 ZINC000940950460 613781446 /nfs/dbraw/zinc/78/14/46/613781446.db2.gz NSKVLMDJFWPURG-CVEARBPZSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC2(C)C)C(C)(C)C1 ZINC000940960359 613784890 /nfs/dbraw/zinc/78/48/90/613784890.db2.gz FIEOLNRJXRBVKH-CABCVRRESA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)c2ccc3occc3c2)[C@H](C)C1 ZINC000942073596 613791521 /nfs/dbraw/zinc/79/15/21/613791521.db2.gz QIWAXJGDCVROIA-CJNGLKHVSA-N 1 1 298.386 3.059 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)c2sccc2Cl)[C@H](C)C1 ZINC000942074094 613801672 /nfs/dbraw/zinc/80/16/72/613801672.db2.gz UPOMOKAYDDPKHO-PWSUYJOCSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)c2sccc2Cl)[C@@H](C)C1 ZINC000942074093 613802015 /nfs/dbraw/zinc/80/20/15/613802015.db2.gz UPOMOKAYDDPKHO-JQWIXIFHSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCCC2(C)C)C(C)(C)C1 ZINC000977635579 613807976 /nfs/dbraw/zinc/80/79/76/613807976.db2.gz MMXBGXXBPSAMGW-LSDHHAIUSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCCC2(C)C)C(C)(C)C1 ZINC000977635576 613808580 /nfs/dbraw/zinc/80/85/80/613808580.db2.gz MMXBGXXBPSAMGW-HUUCEWRRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CNN=CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000811651645 617663224 /nfs/dbraw/zinc/66/32/24/617663224.db2.gz INFBVGBAPXSTQX-UHFFFAOYSA-N 1 1 273.424 3.296 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(COc2ccccc2)no1 ZINC000899994584 620742830 /nfs/dbraw/zinc/74/28/30/620742830.db2.gz HOWYTELLKLKSCR-CYBMUJFWSA-N 1 1 273.336 3.005 20 30 CGEDMO C[C@@H]1[C@H](C)SCC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000134773129 617749013 /nfs/dbraw/zinc/74/90/13/617749013.db2.gz HWDPORYLAGPQRY-KGLIPLIRSA-N 1 1 290.432 3.153 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000306054635 617782307 /nfs/dbraw/zinc/78/23/07/617782307.db2.gz UKFGUWYWXZXWIJ-VXGBXAGGSA-N 1 1 266.772 3.261 20 30 CGEDMO C=CCCCN(CC)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000890811123 617867188 /nfs/dbraw/zinc/86/71/88/617867188.db2.gz REUHEENFESJKOT-AWEZNQCLSA-N 1 1 277.412 3.211 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(CC)CC)C1 ZINC001021523554 618021729 /nfs/dbraw/zinc/02/17/29/618021729.db2.gz OAJRRUSDTKQVDE-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCC2CCC2)C1 ZINC001021554224 618038674 /nfs/dbraw/zinc/03/86/74/618038674.db2.gz LOQJXTPPVJOVAG-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C#Cc1ccc(NC(=O)C[C@H](C)n2cc[nH+]c2CC)cc1 ZINC000891312910 618101653 /nfs/dbraw/zinc/10/16/53/618101653.db2.gz CYHYYNYHJXFMTK-ZDUSSCGKSA-N 1 1 281.359 3.017 20 30 CGEDMO Cc1[nH+]ccn1-c1ncccc1NCc1cc(C#N)cs1 ZINC000093687272 618222870 /nfs/dbraw/zinc/22/28/70/618222870.db2.gz FFTKMKCGEQSXQY-UHFFFAOYSA-N 1 1 295.371 3.121 20 30 CGEDMO CCOC(=O)CCCCC[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933772200 618325144 /nfs/dbraw/zinc/32/51/44/618325144.db2.gz ZQHJIWSIRDYHMB-UHFFFAOYSA-N 1 1 294.420 3.175 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)C[C@H]1C[C@@]1(C)Br ZINC000891937562 618395957 /nfs/dbraw/zinc/39/59/57/618395957.db2.gz NFZBOAIZOMHGGM-CHWSQXEVSA-N 1 1 287.245 3.422 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)C[C@H]1C[C@@]1(C)Br ZINC000891937562 618395967 /nfs/dbraw/zinc/39/59/67/618395967.db2.gz NFZBOAIZOMHGGM-CHWSQXEVSA-N 1 1 287.245 3.422 20 30 CGEDMO C=CC[C@H](C)NC(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC000934074401 618444871 /nfs/dbraw/zinc/44/48/71/618444871.db2.gz SZVIHVPCNSXENZ-ZDUSSCGKSA-N 1 1 288.395 3.158 20 30 CGEDMO C#CCCCCC[N@@H+]1CCC[C@@H]1c1ccc(OC)cn1 ZINC000934340963 618602349 /nfs/dbraw/zinc/60/23/49/618602349.db2.gz FKFJFBIAFZGVCD-QGZVFWFLSA-N 1 1 272.392 3.421 20 30 CGEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2csc(C#N)c2)C12CCC2 ZINC000892230031 618608801 /nfs/dbraw/zinc/60/88/01/618608801.db2.gz VLUXRHFZQJBWLL-LSDHHAIUSA-N 1 1 290.432 3.399 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1CC(=O)Nc1c(C)cc(C)cc1C ZINC000934464595 618625569 /nfs/dbraw/zinc/62/55/69/618625569.db2.gz GDGCIYRDRJOZOM-HNNXBMFYSA-N 1 1 272.392 3.201 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1CC(=O)Nc1c(C)cc(C)cc1C ZINC000934464595 618625576 /nfs/dbraw/zinc/62/55/76/618625576.db2.gz GDGCIYRDRJOZOM-HNNXBMFYSA-N 1 1 272.392 3.201 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000934468988 618626239 /nfs/dbraw/zinc/62/62/39/618626239.db2.gz MCDZTCONMOYNGN-AWEZNQCLSA-N 1 1 276.767 3.393 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000934468988 618626240 /nfs/dbraw/zinc/62/62/40/618626240.db2.gz MCDZTCONMOYNGN-AWEZNQCLSA-N 1 1 276.767 3.393 20 30 CGEDMO C=CCn1c(C)nn(C[N@H+]2CCC[C@@H](C(C)C)C2)c1=S ZINC000780496466 618662016 /nfs/dbraw/zinc/66/20/16/618662016.db2.gz JKTPLZMPEDPLBK-CQSZACIVSA-N 1 1 294.468 3.234 20 30 CGEDMO C=CCn1c(C)nn(C[N@@H+]2CCC[C@@H](C(C)C)C2)c1=S ZINC000780496466 618662018 /nfs/dbraw/zinc/66/20/18/618662018.db2.gz JKTPLZMPEDPLBK-CQSZACIVSA-N 1 1 294.468 3.234 20 30 CGEDMO COc1cc([C@@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)on1 ZINC000926598480 618757836 /nfs/dbraw/zinc/75/78/36/618757836.db2.gz AVOIZOYZGWTAEA-ABAIWWIYSA-N 1 1 297.358 3.283 20 30 CGEDMO CCCCCCCC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000177054059 618781988 /nfs/dbraw/zinc/78/19/88/618781988.db2.gz NVYUSLYKMBHSRU-UONOGXRCSA-N 1 1 266.429 3.088 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)CC2=CCCCC2)C1 ZINC001006932541 618873232 /nfs/dbraw/zinc/87/32/32/618873232.db2.gz KSZFVBNLCJIEJO-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO CC(C)CCc1noc(CO[NH+]=C(N)C2CCCCC2)n1 ZINC000173463082 618947791 /nfs/dbraw/zinc/94/77/91/618947791.db2.gz HYGMYMDMBVYYAU-UHFFFAOYSA-N 1 1 294.399 3.027 20 30 CGEDMO C#CC[C@@H]([NH2+]Cc1ccc(OCCOC)o1)c1ccccc1 ZINC000893239159 619039393 /nfs/dbraw/zinc/03/93/93/619039393.db2.gz PVYVYKDZKISQHR-QGZVFWFLSA-N 1 1 299.370 3.159 20 30 CGEDMO COC[C@@H]1CCC[N@@H+](Cc2c(C)cc(C#N)cc2C)CC1 ZINC000930675263 619055211 /nfs/dbraw/zinc/05/52/11/619055211.db2.gz HQIDKIBXELLEFY-MRXNPFEDSA-N 1 1 286.419 3.424 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001008229984 619067773 /nfs/dbraw/zinc/06/77/73/619067773.db2.gz MWWLDEFMSPAAIT-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)CC1 ZINC000930810235 619078103 /nfs/dbraw/zinc/07/81/03/619078103.db2.gz FSGBWPZSKLGXCU-SJJHQCBESA-N 1 1 276.424 3.207 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)C[C@H]1CCOc2ccccc21 ZINC000162442485 619087253 /nfs/dbraw/zinc/08/72/53/619087253.db2.gz PYPPSRBKBMZIFS-OAHLLOKOSA-N 1 1 272.392 3.424 20 30 CGEDMO CC[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000312573373 619092417 /nfs/dbraw/zinc/09/24/17/619092417.db2.gz LWWOZDAICBYSDK-CKEIUWERSA-N 1 1 272.392 3.102 20 30 CGEDMO CC(C)(C)c1nc(CO[NH+]=C(N)C2CCCC2)cs1 ZINC000194280307 619138974 /nfs/dbraw/zinc/13/89/74/619138974.db2.gz BZWAVJXXFCAEBE-UHFFFAOYSA-N 1 1 281.425 3.420 20 30 CGEDMO C#CCCOc1ccc(C[N@H+](CCC#N)CC2CC2)cc1 ZINC000093091458 619165567 /nfs/dbraw/zinc/16/55/67/619165567.db2.gz QFCDKCMVOKWXDW-UHFFFAOYSA-N 1 1 282.387 3.214 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+](CCC#N)CC2CC2)cc1 ZINC000093091458 619165571 /nfs/dbraw/zinc/16/55/71/619165571.db2.gz QFCDKCMVOKWXDW-UHFFFAOYSA-N 1 1 282.387 3.214 20 30 CGEDMO CO[C@@H]1CC[C@@H](C)[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000931474553 619180291 /nfs/dbraw/zinc/18/02/91/619180291.db2.gz GCEKWAKOFJPIHD-HUUCEWRRSA-N 1 1 264.413 3.350 20 30 CGEDMO N#CCC1CC[NH+](Cc2c(Cl)n[nH]c2C2CC2)CC1 ZINC000893486165 619190387 /nfs/dbraw/zinc/19/03/87/619190387.db2.gz BBBDDPYFZJGZEX-UHFFFAOYSA-N 1 1 278.787 3.066 20 30 CGEDMO CCCCCCC[C@@H](C)CNC(=O)c1csc(C[NH3+])n1 ZINC000178444397 619194885 /nfs/dbraw/zinc/19/48/85/619194885.db2.gz LVOLQBNMGKEWBZ-GFCCVEGCSA-N 1 1 297.468 3.328 20 30 CGEDMO CCc1c[nH]c2nc[nH+]c(N[C@H]3CC[C@@H](CC#N)C3)c12 ZINC000894043400 619357886 /nfs/dbraw/zinc/35/78/86/619357886.db2.gz QGRSUCKZBBORIG-JQWIXIFHSA-N 1 1 269.352 3.015 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1cnn(C2CCC2)c1 ZINC000924981589 619473100 /nfs/dbraw/zinc/47/31/00/619473100.db2.gz WFACHWRUBMXJSX-LBPRGKRZSA-N 1 1 298.365 3.470 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000894648595 619594851 /nfs/dbraw/zinc/59/48/51/619594851.db2.gz IQRZSGKEEJBPCD-RTBURBONSA-N 1 1 296.414 3.319 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cnn(C)c1C1CC1 ZINC000895017328 619696376 /nfs/dbraw/zinc/69/63/76/619696376.db2.gz BKEVFCWERXQAMZ-ZDUSSCGKSA-N 1 1 294.402 3.362 20 30 CGEDMO Cc1n[nH]c(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1C ZINC000895055302 619703066 /nfs/dbraw/zinc/70/30/66/619703066.db2.gz KYPIFTPDUDXUEA-ZDUSSCGKSA-N 1 1 268.364 3.091 20 30 CGEDMO Cc1n[nH]c(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c1C ZINC000895055302 619703068 /nfs/dbraw/zinc/70/30/68/619703068.db2.gz KYPIFTPDUDXUEA-ZDUSSCGKSA-N 1 1 268.364 3.091 20 30 CGEDMO C=CCc1cc(C[N@@H+]2CC[C@@H]2CC)c(O)c(OC)c1 ZINC000793820833 619735487 /nfs/dbraw/zinc/73/54/87/619735487.db2.gz MYDAYUUBAGTFJE-AWEZNQCLSA-N 1 1 261.365 3.114 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cc(O)cc(Cl)c2)C1 ZINC000895313105 619804393 /nfs/dbraw/zinc/80/43/93/619804393.db2.gz CQKXDQOWPNYNFA-LLVKDONJSA-N 1 1 264.756 3.171 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2cc(O)cc(Cl)c2)C1 ZINC000895313105 619804395 /nfs/dbraw/zinc/80/43/95/619804395.db2.gz CQKXDQOWPNYNFA-LLVKDONJSA-N 1 1 264.756 3.171 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccccc2OCC(F)F)C1 ZINC000895389709 619819652 /nfs/dbraw/zinc/81/96/52/619819652.db2.gz GQIUIYKPKAGGPM-ZDUSSCGKSA-N 1 1 279.330 3.176 20 30 CGEDMO CN(c1ccccc1)[C@@H]1CC[N@@H+](Cc2csc(C#N)c2)C1 ZINC000895437086 619828390 /nfs/dbraw/zinc/82/83/90/619828390.db2.gz UAHPEOKODQUYRF-MRXNPFEDSA-N 1 1 297.427 3.330 20 30 CGEDMO C=C(C)C[C@@H]([NH2+]C1CCC(C(F)F)CC1)C(=O)OCC ZINC000895597600 619858795 /nfs/dbraw/zinc/85/87/95/619858795.db2.gz JQLYWYUVXSZKOX-WXRRBKDZSA-N 1 1 289.366 3.298 20 30 CGEDMO COC(=O)C(C)(C)C[N@@H+](CC(C)C)CC(C)(C)CCC#N ZINC000895633711 619859923 /nfs/dbraw/zinc/85/99/23/619859923.db2.gz RCQVHKZNDFAHHD-UHFFFAOYSA-N 1 1 296.455 3.474 20 30 CGEDMO COC(=O)C(C)(C)C[N@@H+](CC(C)C)C[C@@H](C)CCC#N ZINC000895634656 619860087 /nfs/dbraw/zinc/86/00/87/619860087.db2.gz NCSOSZDQILVBMP-AWEZNQCLSA-N 1 1 282.428 3.083 20 30 CGEDMO CCOc1ccc(C[N@@H+]2CCc3c(CC#N)cccc3C2)o1 ZINC000895667393 619868126 /nfs/dbraw/zinc/86/81/26/619868126.db2.gz MAYHUAZAORGHRT-UHFFFAOYSA-N 1 1 296.370 3.303 20 30 CGEDMO CCOc1ccc(C[N@H+]2CCc3c(CC#N)cccc3C2)o1 ZINC000895667393 619868130 /nfs/dbraw/zinc/86/81/30/619868130.db2.gz MAYHUAZAORGHRT-UHFFFAOYSA-N 1 1 296.370 3.303 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)cc1 ZINC000895848212 619897014 /nfs/dbraw/zinc/89/70/14/619897014.db2.gz YHQSIOBHBDIXIV-FUHWJXTLSA-N 1 1 287.403 3.252 20 30 CGEDMO C=C1CC(C)(c2noc(C[NH+]3[C@@H](C)CC[C@@H]3C)n2)C1 ZINC000896916202 620098981 /nfs/dbraw/zinc/09/89/81/620098981.db2.gz URCWNEWGBQIUCT-RYUDHWBXSA-N 1 1 261.369 3.050 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2CCC[C@@H](F)C2)CC1 ZINC000985434853 620188338 /nfs/dbraw/zinc/18/83/38/620188338.db2.gz VPEQNCARPCWXRD-LSDHHAIUSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[C@@H]2CCC)CC1 ZINC000985507464 620202989 /nfs/dbraw/zinc/20/29/89/620202989.db2.gz XVIGLDOQHWFASW-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)C(C)(C)C2CC2)CC1 ZINC000985596948 620220008 /nfs/dbraw/zinc/22/00/08/620220008.db2.gz INCUTONCCZPKSN-UHFFFAOYSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC([N@@H+](C)CC(=C)C)CC1 ZINC000985618983 620222266 /nfs/dbraw/zinc/22/22/66/620222266.db2.gz NBJDJTYFQBTGMO-KRWDZBQOSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)c2c(C)cccc2C)CC1 ZINC000985668970 620228422 /nfs/dbraw/zinc/22/84/22/620228422.db2.gz UWJCSKQVCVJVGU-UHFFFAOYSA-N 1 1 286.419 3.026 20 30 CGEDMO COc1cc(CNc2ccc(C3CC3)c[nH+]2)ccc1C#N ZINC000897715702 620422896 /nfs/dbraw/zinc/42/28/96/620422896.db2.gz OSJWCKYBGIKYQT-UHFFFAOYSA-N 1 1 279.343 3.451 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)c2cccc(C)c2C)CC1 ZINC000989591546 620518170 /nfs/dbraw/zinc/51/81/70/620518170.db2.gz YRXFNSLNOWNAMM-UHFFFAOYSA-N 1 1 286.419 3.027 20 30 CGEDMO C=CCC[N@H+]1CCCN(C(=O)c2cccc(C3CC3)c2)CC1 ZINC000989754285 620524192 /nfs/dbraw/zinc/52/41/92/620524192.db2.gz GMFZUPKBZBKTDF-UHFFFAOYSA-N 1 1 298.430 3.288 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)CC3CCCC3)CCC[C@H]12 ZINC000989921183 620531276 /nfs/dbraw/zinc/53/12/76/620531276.db2.gz GDXQMYYUGXMTHH-WMZOPIPTSA-N 1 1 290.451 3.256 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)c3cccc(C)c3)CCC[C@H]12 ZINC000989929638 620531738 /nfs/dbraw/zinc/53/17/38/620531738.db2.gz XSURSTBLJMSRMP-HKUYNNGSSA-N 1 1 298.430 3.298 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)C3=CCCC3)CCC[C@H]12 ZINC000990222754 620538758 /nfs/dbraw/zinc/53/87/58/620538758.db2.gz LVFBQLVWDVUGRV-FUHWJXTLSA-N 1 1 288.435 3.176 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)C3=CCCC3)CCC[C@@H]12 ZINC000990222755 620539044 /nfs/dbraw/zinc/53/90/44/620539044.db2.gz LVFBQLVWDVUGRV-SJLPKXTDSA-N 1 1 288.435 3.176 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)C3=CCCCCC3)CCC[C@H]12 ZINC000990415272 620544626 /nfs/dbraw/zinc/54/46/26/620544626.db2.gz GSQCBDYCWMTXMS-FUHWJXTLSA-N 1 1 288.435 3.176 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)C3CC(C)(C)C3)CCC[C@@H]12 ZINC000990545757 620553700 /nfs/dbraw/zinc/55/37/00/620553700.db2.gz QEJZLALQMBGKTJ-CRAIPNDOSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)C(C)=C3CCC3)CCC[C@@H]12 ZINC000990616217 620557926 /nfs/dbraw/zinc/55/79/26/620557926.db2.gz RLAMRJHDDBWZAN-SJLPKXTDSA-N 1 1 288.435 3.176 20 30 CGEDMO CC[C@H]([NH2+][C@@H](C)Cc1cc(C)[nH]n1)c1cccc(C#N)c1 ZINC000902880128 621481725 /nfs/dbraw/zinc/48/17/25/621481725.db2.gz DAALZYSQDZMQAN-SJCJKPOMSA-N 1 1 282.391 3.262 20 30 CGEDMO CCc1nnc([C@@H](C)[NH2+][C@@H](CC)c2cccc(C#N)c2)[nH]1 ZINC000902889729 621487449 /nfs/dbraw/zinc/48/74/49/621487449.db2.gz PXHCCPYLTUPBJT-RISCZKNCSA-N 1 1 283.379 3.041 20 30 CGEDMO C[C@@H]([NH2+]C1(c2ccc(F)cc2)CC1)c1cc(C#N)ccn1 ZINC000902910258 621494592 /nfs/dbraw/zinc/49/45/92/621494592.db2.gz GANYOZFYYJUKMR-GFCCVEGCSA-N 1 1 281.334 3.432 20 30 CGEDMO COC(=O)c1ccc([C@H](C)[NH2+]CC2(C#N)CCC2)c(C)c1 ZINC000903035946 621537553 /nfs/dbraw/zinc/53/75/53/621537553.db2.gz XEIXQEWHHKOJKW-ZDUSSCGKSA-N 1 1 286.375 3.126 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CCC1)c1ccc(C(F)F)nc1 ZINC000903035896 621537656 /nfs/dbraw/zinc/53/76/56/621537656.db2.gz VWLXJAWSNPCBAG-SNVBAGLBSA-N 1 1 265.307 3.364 20 30 CGEDMO C=CC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccncc1 ZINC000903098917 621572257 /nfs/dbraw/zinc/57/22/57/621572257.db2.gz VIJYTFBOVTUFFP-DQXYTYHJSA-N 1 1 297.446 3.446 20 30 CGEDMO C=CC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccncc1 ZINC000903098917 621572263 /nfs/dbraw/zinc/57/22/63/621572263.db2.gz VIJYTFBOVTUFFP-DQXYTYHJSA-N 1 1 297.446 3.446 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CC1)c1cc(Br)cs1 ZINC000903106366 621579371 /nfs/dbraw/zinc/57/93/71/621579371.db2.gz OLJXOXVUELHOBM-QMMMGPOBSA-N 1 1 285.210 3.465 20 30 CGEDMO CSc1ccc(C[NH2+][C@@H]2CCCc3c[nH]nc32)cc1C#N ZINC000903093346 621584483 /nfs/dbraw/zinc/58/44/83/621584483.db2.gz ITCVKVSIAXESAW-CQSZACIVSA-N 1 1 298.415 3.170 20 30 CGEDMO CC[C@H]([NH2+]Cc1cc(N(C)C)ccn1)c1ccc(C#N)cc1 ZINC000903198401 621622876 /nfs/dbraw/zinc/62/28/76/621622876.db2.gz KQDGGAOOXZKJSY-SFHVURJKSA-N 1 1 294.402 3.260 20 30 CGEDMO CC[N@H+]1CC[C@H](Nc2ccc(CCC#N)cc2)[C@@H](C)C1 ZINC000903298568 621666657 /nfs/dbraw/zinc/66/66/57/621666657.db2.gz XCTSENKFGPYDHN-YOEHRIQHSA-N 1 1 271.408 3.285 20 30 CGEDMO C[C@H]([NH2+][C@H](c1ncccn1)C1CC1)c1cccc(C#N)c1 ZINC000903327198 621701859 /nfs/dbraw/zinc/70/18/59/621701859.db2.gz QXDMATWCXSNKBT-LRDDRELGSA-N 1 1 278.359 3.150 20 30 CGEDMO Oc1ccccc1/C=[NH+]\CCCN1CCc2ccccc21 ZINC000912975195 622717193 /nfs/dbraw/zinc/71/71/93/622717193.db2.gz KLRXWKJHLZQADM-RGEXLXHISA-N 1 1 280.371 3.264 20 30 CGEDMO C#CCCOc1ccc(C[NH2+]Cc2ncc(C)s2)cc1 ZINC000174572775 623411809 /nfs/dbraw/zinc/41/18/09/623411809.db2.gz DWJIKQRONCNLJE-UHFFFAOYSA-N 1 1 286.400 3.143 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)C3CCC(=C)CC3)CCC[C@@H]12 ZINC000992151152 623451450 /nfs/dbraw/zinc/45/14/50/623451450.db2.gz KIFBKJLZUBDAIN-SJLPKXTDSA-N 1 1 288.435 3.032 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(C=C)cc3)CCC[C@@H]12 ZINC000992289011 623504286 /nfs/dbraw/zinc/50/42/86/623504286.db2.gz URLJXKMAMOYUDI-MJGOQNOKSA-N 1 1 296.414 3.242 20 30 CGEDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000929684640 623509301 /nfs/dbraw/zinc/50/93/01/623509301.db2.gz JKQNOZRJOXMDEK-HZPDHXFCSA-N 1 1 278.440 3.476 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C)c2)[C@H]1C ZINC000992979400 623767094 /nfs/dbraw/zinc/76/70/94/623767094.db2.gz DMKQBNKWPGLZLB-NVXWUHKLSA-N 1 1 286.419 3.154 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C=C2CCCCC2)[C@@H]1C ZINC000993080286 623821800 /nfs/dbraw/zinc/82/18/00/623821800.db2.gz NZCYIBQUCAEULG-DOTOQJQBSA-N 1 1 290.451 3.422 20 30 CGEDMO C[N@@H+](CCOC(C)(C)C)Cc1cc(Cl)cc(C#N)c1 ZINC000929856629 623880979 /nfs/dbraw/zinc/88/09/79/623880979.db2.gz VOASQVFAFMZLTG-UHFFFAOYSA-N 1 1 280.799 3.459 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C2=CCCCCC2)[C@@H]1C ZINC000993303472 624002609 /nfs/dbraw/zinc/00/26/09/624002609.db2.gz PYORQFLJNZCUJB-DOTOQJQBSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccsc2C)[C@H]1C ZINC000993327674 624026078 /nfs/dbraw/zinc/02/60/78/624026078.db2.gz NJWPZZWGXBDIBC-IUODEOHRSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2csc(C)c2C)[C@H]1C ZINC000993369166 624037300 /nfs/dbraw/zinc/03/73/00/624037300.db2.gz RMWVYZXMDHJBIY-DOMZBBRYSA-N 1 1 292.448 3.134 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2sc(C)cc2C)[C@@H]1C ZINC000993404852 624041904 /nfs/dbraw/zinc/04/19/04/624041904.db2.gz BHTVJHNFRSMRII-UONOGXRCSA-N 1 1 292.448 3.134 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC)s2)[C@H]1C ZINC000993551285 624053636 /nfs/dbraw/zinc/05/36/36/624053636.db2.gz ATYRNRMOFNOYTO-TZMCWYRMSA-N 1 1 292.448 3.079 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C2CCC3(CC3)CC2)[C@@H]1C ZINC000993613993 624055312 /nfs/dbraw/zinc/05/53/12/624055312.db2.gz LSQGPWNIWQBIED-GOEBONIOSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C2CCC2)[C@@H]1C ZINC000993634652 624055512 /nfs/dbraw/zinc/05/55/12/624055512.db2.gz MLDBZCHMRPLEML-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C2(C)CCCC2)[C@@H]1C ZINC000993637827 624055538 /nfs/dbraw/zinc/05/55/38/624055538.db2.gz VCYYBKRJCYKMON-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+](CC(C)C)[C@@H]2C)CC1 ZINC000993746169 624060490 /nfs/dbraw/zinc/06/04/90/624060490.db2.gz AHMKVOYIWIAYGW-NVXWUHKLSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C)c(C)c2)[C@H]1C ZINC000994352995 624205429 /nfs/dbraw/zinc/20/54/29/624205429.db2.gz OWMDZVMGVNRIMR-WBVHZDCISA-N 1 1 286.419 3.072 20 30 CGEDMO C=CC[N@H+](Cc1nnc(-c2ccc(C)cc2)o1)C(C)C ZINC000917069805 624234047 /nfs/dbraw/zinc/23/40/47/624234047.db2.gz WEMJEEPJPAUDSF-UHFFFAOYSA-N 1 1 271.364 3.441 20 30 CGEDMO C=CC[N@@H+](Cc1nnc(-c2ccc(C)cc2)o1)C(C)C ZINC000917069805 624234049 /nfs/dbraw/zinc/23/40/49/624234049.db2.gz WEMJEEPJPAUDSF-UHFFFAOYSA-N 1 1 271.364 3.441 20 30 CGEDMO C=CC[N@H+](CC(=O)N[C@@H](C)c1ccc(CC)cc1)C(C)C ZINC000917071560 624234380 /nfs/dbraw/zinc/23/43/80/624234380.db2.gz WBKLMDHORARZDZ-HNNXBMFYSA-N 1 1 288.435 3.323 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1ccc(Cl)cc1)C(C)C ZINC000917166883 624249111 /nfs/dbraw/zinc/24/91/11/624249111.db2.gz LHXFXFJCKVAVTN-UHFFFAOYSA-N 1 1 266.772 3.175 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)C(C)C ZINC000917166883 624249116 /nfs/dbraw/zinc/24/91/16/624249116.db2.gz LHXFXFJCKVAVTN-UHFFFAOYSA-N 1 1 266.772 3.175 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCc3ccccc3[C@H]2CO)CCC1 ZINC000930023795 624346661 /nfs/dbraw/zinc/34/66/61/624346661.db2.gz HAHZQSKIGVNSSV-GOSISDBHSA-N 1 1 298.430 3.442 20 30 CGEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CC1CCC(C#N)CC1 ZINC000930128225 624500478 /nfs/dbraw/zinc/50/04/78/624500478.db2.gz ZEEYWSLTGUZRDG-UYSNPLJNSA-N 1 1 286.423 3.493 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)C2CCCCC2)CC1 ZINC000997896117 625763177 /nfs/dbraw/zinc/76/31/77/625763177.db2.gz ZAPCVKMVWMJSSU-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC=CCCC2)CC1 ZINC001000843724 625881727 /nfs/dbraw/zinc/88/17/27/625881727.db2.gz YIGLWULATPJZGP-QGZVFWFLSA-N 1 1 288.435 3.057 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@@H]2CCC)CC1 ZINC001000880814 625883162 /nfs/dbraw/zinc/88/31/62/625883162.db2.gz XCKIHPYIHZGLDE-DLBZAZTESA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCC[C@@H]2C)CC1 ZINC001001101823 625890095 /nfs/dbraw/zinc/89/00/95/625890095.db2.gz XNKCRQXSFYQSJZ-DOTOQJQBSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)C2CC(C)(C)C2)CC1 ZINC001001370259 625896259 /nfs/dbraw/zinc/89/62/59/625896259.db2.gz RQVOGICSJJYJPF-UHFFFAOYSA-N 1 1 298.858 3.003 20 30 CGEDMO C[C@@H]1Oc2ccccc2[C@H]1[NH2+]Cc1csc(C#N)c1 ZINC000922133115 625971577 /nfs/dbraw/zinc/97/15/77/625971577.db2.gz AYEYFEBBAJDNOW-BONVTDFDSA-N 1 1 270.357 3.232 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)[C@H](C)c1ncccn1 ZINC000929270055 625976355 /nfs/dbraw/zinc/97/63/55/625976355.db2.gz NLGUSNZJZGFZQQ-CQSZACIVSA-N 1 1 280.375 3.321 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)c1ncccn1 ZINC000929270055 625976357 /nfs/dbraw/zinc/97/63/57/625976357.db2.gz NLGUSNZJZGFZQQ-CQSZACIVSA-N 1 1 280.375 3.321 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)C[C@@H]2CC[C@H](C)C2)CC1 ZINC001003456817 625980010 /nfs/dbraw/zinc/98/00/10/625980010.db2.gz APPIOOSHFVHUPD-GXTWGEPZSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H]2CC)CC1 ZINC001003573009 625983396 /nfs/dbraw/zinc/98/33/96/625983396.db2.gz JZAKBKSQZWEMNL-UKRRQHHQSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CC2CC2)CC1 ZINC001004314922 626034131 /nfs/dbraw/zinc/03/41/31/626034131.db2.gz APJOKNIFJNDEDK-KRWDZBQOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCC)CC1 ZINC001004336163 626040779 /nfs/dbraw/zinc/04/07/79/626040779.db2.gz ROLSVRRESVACIU-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC2CCC2)CC1 ZINC001004381315 626046218 /nfs/dbraw/zinc/04/62/18/626046218.db2.gz REKJUAOJUPGTCN-QGZVFWFLSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](F)CC)CC1 ZINC001004502984 626064133 /nfs/dbraw/zinc/06/41/33/626064133.db2.gz WFTINWPIHNNMTG-HZPDHXFCSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2(C)CCC2)CC1 ZINC001004504991 626064303 /nfs/dbraw/zinc/06/43/03/626064303.db2.gz FJMNDFZYWJIFDB-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO N#Cc1ccccc1CN1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923508813 626160214 /nfs/dbraw/zinc/16/02/14/626160214.db2.gz WKDDEWRUSSHKPX-MRXNPFEDSA-N 1 1 297.446 3.160 20 30 CGEDMO C=CC[N@@H+](Cc1cc(=O)[nH]c(-c2ccccc2)n1)C(C)C ZINC000838793523 626249605 /nfs/dbraw/zinc/24/96/05/626249605.db2.gz NMIHRRANRZKFQZ-UHFFFAOYSA-N 1 1 283.375 3.246 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000839090371 626312777 /nfs/dbraw/zinc/31/27/77/626312777.db2.gz JTIRWYMJSJSSKX-HUUCEWRRSA-N 1 1 296.455 3.435 20 30 CGEDMO Cc1cc(F)ccc1N=NC1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000750938347 626369902 /nfs/dbraw/zinc/36/99/02/626369902.db2.gz FXKOUBVNSDCNHI-LLVKDONJSA-N 1 1 261.344 3.159 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC1N=Nc1ccc(F)cn1 ZINC000751529023 626394599 /nfs/dbraw/zinc/39/45/99/626394599.db2.gz NYKRSEVMVDOXGL-CYBMUJFWSA-N 1 1 298.365 3.141 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)[C@H]1C ZINC000751943968 626412742 /nfs/dbraw/zinc/41/27/42/626412742.db2.gz SGKOWCVVNXZOHD-KGLIPLIRSA-N 1 1 280.375 3.110 20 30 CGEDMO COc1cc(F)cc(N[NH+]=Cc2c(C)cc(N)cc2C)c1 ZINC000752735470 626436753 /nfs/dbraw/zinc/43/67/53/626436753.db2.gz SWNUEBQBCSBRPF-UHFFFAOYSA-N 1 1 287.338 3.479 20 30 CGEDMO CC[C@@H]1CCCC(=[NH+]n2cc(Br)cn2)C1 ZINC000752742584 626437221 /nfs/dbraw/zinc/43/72/21/626437221.db2.gz HVGNUMVPKXBHAG-SECBINFHSA-N 1 1 270.174 3.450 20 30 CGEDMO CC(CC1CCC1)=[NH+]n1cc(Br)cn1 ZINC000752748709 626437592 /nfs/dbraw/zinc/43/75/92/626437592.db2.gz YLCBIUXIKBVLNP-UHFFFAOYSA-N 1 1 256.147 3.060 20 30 CGEDMO C#CCC[N@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000752857856 626440875 /nfs/dbraw/zinc/44/08/75/626440875.db2.gz UZVCPSDJQIPGOY-CQSZACIVSA-N 1 1 265.809 3.453 20 30 CGEDMO C#CCC[N@@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000752857856 626440876 /nfs/dbraw/zinc/44/08/76/626440876.db2.gz UZVCPSDJQIPGOY-CQSZACIVSA-N 1 1 265.809 3.453 20 30 CGEDMO C#CC[N@@H+](CC#CC)Cc1cc(C)c2ncccc2c1 ZINC000753545329 626454855 /nfs/dbraw/zinc/45/48/55/626454855.db2.gz DQOYWDFHTCDRCB-UHFFFAOYSA-N 1 1 262.356 3.002 20 30 CGEDMO C#CC[N@H+](CC#CC)Cc1cc(C)c2ncccc2c1 ZINC000753545329 626454856 /nfs/dbraw/zinc/45/48/56/626454856.db2.gz DQOYWDFHTCDRCB-UHFFFAOYSA-N 1 1 262.356 3.002 20 30 CGEDMO C[C@H]1CC(N=Nc2nccc3sccc32)C[N@H+]1C1CC1 ZINC000753956766 626470211 /nfs/dbraw/zinc/47/02/11/626470211.db2.gz WJDYELDOIRWZBB-JTQLQIEISA-N 1 1 286.404 3.321 20 30 CGEDMO Cc1c(N=NC2C[N@@H+](C(C)C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000754259378 626565185 /nfs/dbraw/zinc/56/51/85/626565185.db2.gz NJGQDTAPEULCRT-NSHDSACASA-N 1 1 290.367 3.031 20 30 CGEDMO C=CCc1cc(C[N@@H+](C)CC(C)C)c(O)c(OC)c1 ZINC000754720113 626584485 /nfs/dbraw/zinc/58/44/85/626584485.db2.gz KKFAHMJGGNTRPH-UHFFFAOYSA-N 1 1 263.381 3.217 20 30 CGEDMO CCCCCCCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000755074945 626599413 /nfs/dbraw/zinc/59/94/13/626599413.db2.gz IASXMTJNEJERKZ-MRXNPFEDSA-N 1 1 295.471 3.225 20 30 CGEDMO C#CCCC[N@@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000755293607 626612724 /nfs/dbraw/zinc/61/27/24/626612724.db2.gz GATGDCDAXJBRJX-UHFFFAOYSA-N 1 1 296.183 3.360 20 30 CGEDMO C#CCCC[N@H+]1CCc2c(Br)ccc(F)c2C1 ZINC000755293607 626612727 /nfs/dbraw/zinc/61/27/27/626612727.db2.gz GATGDCDAXJBRJX-UHFFFAOYSA-N 1 1 296.183 3.360 20 30 CGEDMO Cc1ccc2c(C[N@@H+](CCC#N)CC(C)C)cc(=O)oc2c1 ZINC000755668562 626635504 /nfs/dbraw/zinc/63/55/04/626635504.db2.gz DRTAMEJAFATMRI-UHFFFAOYSA-N 1 1 298.386 3.473 20 30 CGEDMO Cc1ccc2c(C[N@H+](CCC#N)CC(C)C)cc(=O)oc2c1 ZINC000755668562 626635505 /nfs/dbraw/zinc/63/55/05/626635505.db2.gz DRTAMEJAFATMRI-UHFFFAOYSA-N 1 1 298.386 3.473 20 30 CGEDMO Cc1ccc(N=NCc2[nH+]c(C(C)C)n3ccccc23)nn1 ZINC000755697904 626637467 /nfs/dbraw/zinc/63/74/67/626637467.db2.gz GAJLAGAZXMSLPJ-UHFFFAOYSA-N 1 1 294.362 3.002 20 30 CGEDMO CC1=CC[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)CC1 ZINC000755769794 626644631 /nfs/dbraw/zinc/64/46/31/626644631.db2.gz WUVSHTUTCUHKQH-UHFFFAOYSA-N 1 1 278.359 3.031 20 30 CGEDMO CC1=CC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)CC1 ZINC000755769794 626644633 /nfs/dbraw/zinc/64/46/33/626644633.db2.gz WUVSHTUTCUHKQH-UHFFFAOYSA-N 1 1 278.359 3.031 20 30 CGEDMO CCc1[nH+]c(C=NNc2ccc(OC)cc2)c2ccccn21 ZINC000755800965 626647614 /nfs/dbraw/zinc/64/76/14/626647614.db2.gz FMIBQUFJUBQEIL-UHFFFAOYSA-N 1 1 294.358 3.351 20 30 CGEDMO C[C@H]1C[N@H+](Cc2ccccc2)CC1=NO[C@H]1CCCCO1 ZINC000755820283 626650484 /nfs/dbraw/zinc/65/04/84/626650484.db2.gz BIUHQBTXODQHOT-YOEHRIQHSA-N 1 1 288.391 3.038 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC1=NO[C@H]1CCCCO1 ZINC000755820283 626650487 /nfs/dbraw/zinc/65/04/87/626650487.db2.gz BIUHQBTXODQHOT-YOEHRIQHSA-N 1 1 288.391 3.038 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)CC1=NO[C@H]1CCCCO1 ZINC000755820266 626650639 /nfs/dbraw/zinc/65/06/39/626650639.db2.gz BIUHQBTXODQHOT-PBHICJAKSA-N 1 1 288.391 3.038 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC1=NO[C@H]1CCCCO1 ZINC000755820266 626650642 /nfs/dbraw/zinc/65/06/42/626650642.db2.gz BIUHQBTXODQHOT-PBHICJAKSA-N 1 1 288.391 3.038 20 30 CGEDMO Cc1ccc(C)c(N=NC2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000755884937 626656118 /nfs/dbraw/zinc/65/61/18/626656118.db2.gz AJNLMQBLXPXHLL-ZDUSSCGKSA-N 1 1 257.381 3.185 20 30 CGEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1sccc1C(C)C ZINC000756552659 626714425 /nfs/dbraw/zinc/71/44/25/626714425.db2.gz RSYWJDAMFSWVBQ-CYBMUJFWSA-N 1 1 291.416 3.126 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1sccc1C(C)C ZINC000756552659 626714427 /nfs/dbraw/zinc/71/44/27/626714427.db2.gz RSYWJDAMFSWVBQ-CYBMUJFWSA-N 1 1 291.416 3.126 20 30 CGEDMO C#CC[N@H+](Cc1cc(C(=O)OC)sc1C)C1CCCC1 ZINC000756911581 626740821 /nfs/dbraw/zinc/74/08/21/626740821.db2.gz VWVDICBDFNSIGQ-UHFFFAOYSA-N 1 1 291.416 3.221 20 30 CGEDMO CCCc1[nH+]ccn1Cc1cc(Cl)ccc1OCC#N ZINC000756923957 626741422 /nfs/dbraw/zinc/74/14/22/626741422.db2.gz SGAXXKOAFBSIKY-UHFFFAOYSA-N 1 1 289.766 3.440 20 30 CGEDMO C#CC[N@H+](Cc1cc(OC)cc(C)n1)C1CCCCC1 ZINC000757084546 626753962 /nfs/dbraw/zinc/75/39/62/626753962.db2.gz AMQYTSLKKVSDIM-UHFFFAOYSA-N 1 1 272.392 3.167 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000839647069 626774203 /nfs/dbraw/zinc/77/42/03/626774203.db2.gz UCZMPRRIUSSDHL-DOTOQJQBSA-N 1 1 284.403 3.185 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000839647072 626774325 /nfs/dbraw/zinc/77/43/25/626774325.db2.gz UCZMPRRIUSSDHL-WBVHZDCISA-N 1 1 284.403 3.185 20 30 CGEDMO Cc1cc(C)c(N=NC2CCC[N@H+](C)CC2)c(C)c1 ZINC000758119358 626828205 /nfs/dbraw/zinc/82/82/05/626828205.db2.gz WZOOZBGDWPRGJQ-UHFFFAOYSA-N 1 1 259.397 3.495 20 30 CGEDMO C=CCCCCCCNC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000805191158 626930018 /nfs/dbraw/zinc/93/00/18/626930018.db2.gz SLMRDXNUPNXYDO-GJZGRUSLSA-N 1 1 293.455 3.047 20 30 CGEDMO Cc1cc(C[NH2+]Cc2ccc(C#N)cc2F)cnc1Cl ZINC000760670609 626984414 /nfs/dbraw/zinc/98/44/14/626984414.db2.gz QEMLHEJJAKZHDK-UHFFFAOYSA-N 1 1 289.741 3.344 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@H+]2CC[C@H](C3CC3)C2)c1O ZINC000763336223 627152697 /nfs/dbraw/zinc/15/26/97/627152697.db2.gz ZUPODKNTHHKAQW-HNNXBMFYSA-N 1 1 287.403 3.361 20 30 CGEDMO C[N@H+](CCCF)Cc1cc(C#N)ccc1Br ZINC000887140989 627155023 /nfs/dbraw/zinc/15/50/23/627155023.db2.gz AJXWMWKFXVNCIA-UHFFFAOYSA-N 1 1 285.160 3.112 20 30 CGEDMO C[N@@H+](CCCF)Cc1cc(C#N)ccc1Br ZINC000887140989 627155028 /nfs/dbraw/zinc/15/50/28/627155028.db2.gz AJXWMWKFXVNCIA-UHFFFAOYSA-N 1 1 285.160 3.112 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000764156842 627197173 /nfs/dbraw/zinc/19/71/73/627197173.db2.gz QJGWATDKKITXAU-QGZVFWFLSA-N 1 1 286.419 3.076 20 30 CGEDMO Fc1cc(N=NC2CC[N@H+]3CCC[C@H]23)ccc1Cl ZINC000765580195 627261201 /nfs/dbraw/zinc/26/12/01/627261201.db2.gz HXRGUMZMPLYDEQ-CYBMUJFWSA-N 1 1 267.735 3.115 20 30 CGEDMO C#CCCCO[NH+]=C(N)C12CC3CC(CC(C3)C1)C2 ZINC000766744200 627358236 /nfs/dbraw/zinc/35/82/36/627358236.db2.gz SRNJFBXMIREQEA-UHFFFAOYSA-N 1 1 260.381 3.115 20 30 CGEDMO C#CCCC[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000766895806 627367492 /nfs/dbraw/zinc/36/74/92/627367492.db2.gz SPQSSIHHJIOPEK-UHFFFAOYSA-N 1 1 251.757 3.064 20 30 CGEDMO C#CCCC[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000766903214 627369518 /nfs/dbraw/zinc/36/95/18/627369518.db2.gz AXFLGZWKBJBRBS-UHFFFAOYSA-N 1 1 271.282 3.430 20 30 CGEDMO CC[N@@H+](CCc1ccccn1)Cc1ccc(C#N)cc1OC ZINC000766913882 627370232 /nfs/dbraw/zinc/37/02/32/627370232.db2.gz QXKGYYTYESUEOQ-UHFFFAOYSA-N 1 1 295.386 3.026 20 30 CGEDMO CCC(CC)C[N@H+](CCC#N)CCC(=O)C1CC1 ZINC000767413710 627406622 /nfs/dbraw/zinc/40/66/22/627406622.db2.gz FCHAINJCXNYVMX-UHFFFAOYSA-N 1 1 250.386 3.007 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)CCC(=O)C1CC1 ZINC000767413710 627406625 /nfs/dbraw/zinc/40/66/25/627406625.db2.gz FCHAINJCXNYVMX-UHFFFAOYSA-N 1 1 250.386 3.007 20 30 CGEDMO C#CCOc1ccccc1C[N@H+](C)Cc1ccc(OC)cc1 ZINC000768161194 627464490 /nfs/dbraw/zinc/46/44/90/627464490.db2.gz TYXGVIBYPICOOQ-UHFFFAOYSA-N 1 1 295.382 3.339 20 30 CGEDMO C#CC[N@H+](CC#CC)CC1CCC(C(F)(F)F)CC1 ZINC000768509127 627482662 /nfs/dbraw/zinc/48/26/62/627482662.db2.gz MSOVSBCTXQYUMX-UHFFFAOYSA-N 1 1 271.326 3.314 20 30 CGEDMO CC[N@@H+]1CCCC[C@@H]1C(=O)OCCCCC(C)(C)C#N ZINC000768716416 627495595 /nfs/dbraw/zinc/49/55/95/627495595.db2.gz BESUSIKEDCDHEF-CQSZACIVSA-N 1 1 280.412 3.124 20 30 CGEDMO CC[N@H+]1CCCC[C@@H]1C(=O)OCCCCC(C)(C)C#N ZINC000768716416 627495596 /nfs/dbraw/zinc/49/55/96/627495596.db2.gz BESUSIKEDCDHEF-CQSZACIVSA-N 1 1 280.412 3.124 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+]1CCOc2ccccc2C1 ZINC000768942377 627510784 /nfs/dbraw/zinc/51/07/84/627510784.db2.gz YXRJITGTSPFZFJ-UHFFFAOYSA-N 1 1 293.366 3.093 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CCOc2ccccc2C1 ZINC000768942377 627510787 /nfs/dbraw/zinc/51/07/87/627510787.db2.gz YXRJITGTSPFZFJ-UHFFFAOYSA-N 1 1 293.366 3.093 20 30 CGEDMO C=C1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000769336958 627543823 /nfs/dbraw/zinc/54/38/23/627543823.db2.gz AILGTKGFRAAODE-UHFFFAOYSA-N 1 1 282.181 3.307 20 30 CGEDMO CCCCCCCCC(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000771398204 627706592 /nfs/dbraw/zinc/70/65/92/627706592.db2.gz SFYQXRCXSPVOQJ-LSDHHAIUSA-N 1 1 268.445 3.288 20 30 CGEDMO CCCCCCCCC(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000771398202 627706865 /nfs/dbraw/zinc/70/68/65/627706865.db2.gz SFYQXRCXSPVOQJ-GJZGRUSLSA-N 1 1 268.445 3.288 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000775184467 628070939 /nfs/dbraw/zinc/07/09/39/628070939.db2.gz WABYJURDCQEFKO-SNVBAGLBSA-N 1 1 257.255 3.039 20 30 CGEDMO C#CC[C@H]([NH2+]Cc1c(C)noc1C)c1ccccc1 ZINC000775398948 628091038 /nfs/dbraw/zinc/09/10/38/628091038.db2.gz OYVGPNUGDLYCCC-INIZCTEOSA-N 1 1 254.333 3.146 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cccc(C)c1O ZINC000775664288 628122225 /nfs/dbraw/zinc/12/22/25/628122225.db2.gz KCXBLWGKNIWKNB-UHFFFAOYSA-N 1 1 283.346 3.475 20 30 CGEDMO COc1ccc2nc(N=NC3C[C@@H](C)[N@@H+](C)C3)c(C)cc2c1 ZINC000777910527 628310613 /nfs/dbraw/zinc/31/06/13/628310613.db2.gz CYMBRCHXOUNDTO-GFCCVEGCSA-N 1 1 298.390 3.044 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[NH2+]Cc1cccnc1 ZINC000778151503 628328846 /nfs/dbraw/zinc/32/88/46/628328846.db2.gz PERDZEJSBMPYJE-UHFFFAOYSA-N 1 1 286.762 3.037 20 30 CGEDMO C[N@@H+](C1CCCC1)C(C)(C)C(=O)OCC#Cc1ccccc1 ZINC000778609676 628360994 /nfs/dbraw/zinc/36/09/94/628360994.db2.gz OQLMGEPBDJRZBO-UHFFFAOYSA-N 1 1 299.414 3.234 20 30 CGEDMO C=CC[N@H+](C)Cc1sc2nc(C)nc(C)c2c1C ZINC000779188530 628393141 /nfs/dbraw/zinc/39/31/41/628393141.db2.gz SCDDRVGCBWUOTF-UHFFFAOYSA-N 1 1 261.394 3.234 20 30 CGEDMO CCCCc1oc2ccccc2c1C=NNC1=[NH+]C[C@@H](C)N1 ZINC000779805581 628432989 /nfs/dbraw/zinc/43/29/89/628432989.db2.gz PRABPKJLMWTRTC-GFCCVEGCSA-N 1 1 298.390 3.047 20 30 CGEDMO C(=NNc1cc[nH+]cc1)c1csc2ccccc12 ZINC000779808280 628433391 /nfs/dbraw/zinc/43/33/91/628433391.db2.gz FZUGVOIHRFEILH-UHFFFAOYSA-N 1 1 253.330 3.164 20 30 CGEDMO COc1ccc(Cl)cc1C(C)=NNc1cc[nH+]cc1 ZINC000779809890 628433978 /nfs/dbraw/zinc/43/39/78/628433978.db2.gz SOVQSGDGTPYRKJ-UHFFFAOYSA-N 1 1 275.739 3.002 20 30 CGEDMO CC1(C#N)CC[NH+](Cn2ccc(-c3ccc(F)cc3)n2)CC1 ZINC000779878857 628439771 /nfs/dbraw/zinc/43/97/71/628439771.db2.gz FPFBRGNSISNZEA-UHFFFAOYSA-N 1 1 298.365 3.272 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C[C@@H]1CCc2ccccc21)C1CC1 ZINC000780302543 628480364 /nfs/dbraw/zinc/48/03/64/628480364.db2.gz QATJNNJNMNMPNU-HIFRSBDPSA-N 1 1 254.377 3.340 20 30 CGEDMO C#CCCC[N@H+]1[C@H](C)Cc2cc(OC)ccc2[C@@H]1C ZINC000782097404 628615256 /nfs/dbraw/zinc/61/52/56/628615256.db2.gz JTOCKRZLHIUFIB-KGLIPLIRSA-N 1 1 257.377 3.416 20 30 CGEDMO C#CC[N@H+](Cc1cc(Cl)nc2ccccc12)C1CC1 ZINC000782545532 628654095 /nfs/dbraw/zinc/65/40/95/628654095.db2.gz SVIDLIRHZADSCZ-UHFFFAOYSA-N 1 1 270.763 3.486 20 30 CGEDMO C=CC[N@@H+](CC(=O)OCC)[C@@H](C)CCc1cccc(F)c1 ZINC000783419538 628709880 /nfs/dbraw/zinc/70/98/80/628709880.db2.gz GRFNPGDVYSUTIC-AWEZNQCLSA-N 1 1 293.382 3.198 20 30 CGEDMO C=CC[N@H+](CC(=O)OCC)[C@@H](C)CCc1cccc(F)c1 ZINC000783419538 628709882 /nfs/dbraw/zinc/70/98/82/628709882.db2.gz GRFNPGDVYSUTIC-AWEZNQCLSA-N 1 1 293.382 3.198 20 30 CGEDMO C[C@H](C(=O)OCCCC(C)(C)C#N)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000783779319 628747735 /nfs/dbraw/zinc/74/77/35/628747735.db2.gz TUUBAFAZSUCLSA-HZSPNIEDSA-N 1 1 280.412 3.121 20 30 CGEDMO C[C@@H]1C[N@H+](C2CC2)CC1N=Nc1ccc(C#N)c(Cl)c1 ZINC000783874665 628754509 /nfs/dbraw/zinc/75/45/09/628754509.db2.gz CKULGAPROPNGRF-SNVBAGLBSA-N 1 1 288.782 3.094 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc2c(c1)CCC(=O)N2C ZINC000787309473 629007774 /nfs/dbraw/zinc/00/77/74/629007774.db2.gz JBJPGRGMAIOMOJ-MRXNPFEDSA-N 1 1 284.403 3.136 20 30 CGEDMO C#CC[N@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000787416403 629011725 /nfs/dbraw/zinc/01/17/25/629011725.db2.gz NGBLNMAAPLTAAE-RAXLEYEMSA-N 1 1 270.332 3.096 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)C[C@@H]2CCC[C@@H](C)C2)n1 ZINC000789325338 629124144 /nfs/dbraw/zinc/12/41/44/629124144.db2.gz CMRGYESJYMTDPP-HZPDHXFCSA-N 1 1 273.424 3.165 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)CCC2CCCCC2)n1 ZINC000789329812 629124797 /nfs/dbraw/zinc/12/47/97/629124797.db2.gz PDLAQJHMWCYLRW-UHFFFAOYSA-N 1 1 273.424 3.309 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000790364067 629208198 /nfs/dbraw/zinc/20/81/98/629208198.db2.gz WWOVXLBVWWHCKL-HRCADAONSA-N 1 1 269.429 3.225 20 30 CGEDMO C#C[C@H](CCC)[NH2+][C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000790547812 629216889 /nfs/dbraw/zinc/21/68/89/629216889.db2.gz ZOENPEYYKHVHFV-MSOLQXFVSA-N 1 1 298.430 3.132 20 30 CGEDMO C=C(Br)C[N@H+](CCOC)[C@H]1CC[C@H](C)C1 ZINC000792465158 629361795 /nfs/dbraw/zinc/36/17/95/629361795.db2.gz KNGRYURURHPNDH-JQWIXIFHSA-N 1 1 276.218 3.032 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000791570149 629289714 /nfs/dbraw/zinc/28/97/14/629289714.db2.gz ZMWZLELIKKYDBM-INIZCTEOSA-N 1 1 285.387 3.160 20 30 CGEDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000791579826 629290326 /nfs/dbraw/zinc/29/03/26/629290326.db2.gz SUVFUNYXVDTIBE-FZMZJTMJSA-N 1 1 298.308 3.362 20 30 CGEDMO CCCCCCCCC[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000792235914 629350888 /nfs/dbraw/zinc/35/08/88/629350888.db2.gz GFUISEMADFCBFS-OAHLLOKOSA-N 1 1 268.445 3.324 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CC2(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000862439929 629373382 /nfs/dbraw/zinc/37/33/82/629373382.db2.gz BZGGOGKYUZCICL-AWEZNQCLSA-N 1 1 294.439 3.189 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(Br)cc2)C1 ZINC000862443130 629375545 /nfs/dbraw/zinc/37/55/45/629375545.db2.gz LBDCXCGVLFCXFS-GFCCVEGCSA-N 1 1 278.193 3.294 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2c(C)nc3scc(C4CC4)n23)C1 ZINC000862448392 629380609 /nfs/dbraw/zinc/38/06/09/629380609.db2.gz XWZGFPMUFCWOSX-ZDUSSCGKSA-N 1 1 299.443 3.427 20 30 CGEDMO CCCCCCC[N@H+]1CCCC[C@H]1CC(=O)NCC ZINC000792930508 629395528 /nfs/dbraw/zinc/39/55/28/629395528.db2.gz HKXPXTDAKYPOQV-HNNXBMFYSA-N 1 1 268.445 3.338 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC[C@@H](c3ccc(O)cc3)C2)cc1 ZINC000862540665 629395618 /nfs/dbraw/zinc/39/56/18/629395618.db2.gz IZYVMPIEEAWRII-GOSISDBHSA-N 1 1 277.367 3.363 20 30 CGEDMO C=CCCCCC[C@H](C)[NH2+]C[C@@H]1CCCN(C)C1 ZINC000793539720 629479550 /nfs/dbraw/zinc/47/95/50/629479550.db2.gz GVLIPTFZXSCDPA-HOTGVXAUSA-N 1 1 252.446 3.443 20 30 CGEDMO CC1(C)C(=[NH+]n2cccn2)C[C@@H]1OCc1ccccc1 ZINC000863164405 629487987 /nfs/dbraw/zinc/48/79/87/629487987.db2.gz JBUGPUJVSHYUKW-HNNXBMFYSA-N 1 1 269.348 3.103 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(Br)n1)C(C)C ZINC000794275188 629528266 /nfs/dbraw/zinc/52/82/66/629528266.db2.gz MWTWUFQBIFIIDD-UHFFFAOYSA-N 1 1 269.186 3.241 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@@H]2CN(C)C[C@@H]21 ZINC000794950553 629605076 /nfs/dbraw/zinc/60/50/76/629605076.db2.gz YXKOLMSGBNIAJT-CVEARBPZSA-N 1 1 252.446 3.373 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@](C(=O)OC)(C(F)(F)F)C1 ZINC000796297331 629761771 /nfs/dbraw/zinc/76/17/71/629761771.db2.gz ZMJIDYLUCVVXTK-YPMHNXCESA-N 1 1 293.329 3.159 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccccc1C ZINC000796640558 629809089 /nfs/dbraw/zinc/80/90/89/629809089.db2.gz ZOSQCPKTXFTUDI-LJQANCHMSA-N 1 1 279.383 3.164 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)C[C@H](O)C1CCCCC1 ZINC000796639685 629809113 /nfs/dbraw/zinc/80/91/13/629809113.db2.gz NEYUQWVRIRGGBK-SFHVURJKSA-N 1 1 271.404 3.063 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000798965247 630131840 /nfs/dbraw/zinc/13/18/40/630131840.db2.gz QKASBSIAZOJMRF-CQSZACIVSA-N 1 1 257.381 3.201 20 30 CGEDMO CCc1cccc(C)c1N[NH2+]C1=CC(=O)N2CCCC[C@H]12 ZINC000799493695 630190903 /nfs/dbraw/zinc/19/09/03/630190903.db2.gz LZTRDEXECFATRS-OAHLLOKOSA-N 1 1 285.391 3.110 20 30 CGEDMO CC(C)([NH2+]Cc1cn(C2CC2)cn1)c1cccc(C#N)c1 ZINC000865624548 630232049 /nfs/dbraw/zinc/23/20/49/630232049.db2.gz VGYNGYCJGYYGFT-UHFFFAOYSA-N 1 1 280.375 3.115 20 30 CGEDMO Cc1cc([C@H](C)[NH2+]Cc2ccc(C#N)cn2)oc1C ZINC000800490209 630287042 /nfs/dbraw/zinc/28/70/42/630287042.db2.gz HQLUPIZIXZHSBK-NSHDSACASA-N 1 1 255.321 3.014 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](C)CC12CC3CC(CC(C3)C1)C2 ZINC000801910131 630364151 /nfs/dbraw/zinc/36/41/51/630364151.db2.gz LKXOWZVVNDGDJB-CWJHNBGESA-N 1 1 276.424 3.063 20 30 CGEDMO Cc1ccc([C@H]2CCC[N@@H+]2CCO[C@H](C)C#N)cc1 ZINC000801909567 630364324 /nfs/dbraw/zinc/36/43/24/630364324.db2.gz OONJKIXVAVTWHQ-GDBMZVCRSA-N 1 1 258.365 3.061 20 30 CGEDMO CCCC[N@@H+](CCO[C@@H](C)C#N)C1CCCCC1 ZINC000801913528 630364813 /nfs/dbraw/zinc/36/48/13/630364813.db2.gz GCGXMGYGWKMLPE-AWEZNQCLSA-N 1 1 252.402 3.350 20 30 CGEDMO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](CCO[C@H](C)C#N)C1 ZINC000801922786 630366480 /nfs/dbraw/zinc/36/64/80/630366480.db2.gz OPTSAWHKDYNBKH-ARFHVFGLSA-N 1 1 272.392 3.102 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000801923200 630367458 /nfs/dbraw/zinc/36/74/58/630367458.db2.gz BBWJUCHFTPGKJA-WWGRRREGSA-N 1 1 276.355 3.137 20 30 CGEDMO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2CCO[C@H](C)C#N)c1 ZINC000801928405 630368498 /nfs/dbraw/zinc/36/84/98/630368498.db2.gz AHMZXYKGSWAKCC-WBVHZDCISA-N 1 1 272.392 3.369 20 30 CGEDMO CC(C)[C@@H]1c2ccccc2CC[N@@H+]1CCO[C@H](C)C#N ZINC000801928426 630368866 /nfs/dbraw/zinc/36/88/66/630368866.db2.gz BEVAUHCBSKWENH-RHSMWYFYSA-N 1 1 272.392 3.170 20 30 CGEDMO C#Cc1ccc(C[N@@H+](C)CCc2cccs2)cc1 ZINC000809583534 630754949 /nfs/dbraw/zinc/75/49/49/630754949.db2.gz NVVHTXXCJIVEIS-UHFFFAOYSA-N 1 1 255.386 3.404 20 30 CGEDMO C#Cc1ccc(C[N@@H+](C)CCOCc2ccccc2)cc1 ZINC000809592382 630756216 /nfs/dbraw/zinc/75/62/16/630756216.db2.gz FXOLQDACBXEZJJ-UHFFFAOYSA-N 1 1 279.383 3.317 20 30 CGEDMO C#Cc1ccc(CNCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000809602053 630758496 /nfs/dbraw/zinc/75/84/96/630758496.db2.gz PRJZCJNNMOMJNM-INIZCTEOSA-N 1 1 270.420 3.022 20 30 CGEDMO C#Cc1ccc(CNCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000809602053 630758501 /nfs/dbraw/zinc/75/85/01/630758501.db2.gz PRJZCJNNMOMJNM-INIZCTEOSA-N 1 1 270.420 3.022 20 30 CGEDMO C#Cc1ccc(CNC[C@@H](C(CC)CC)[NH+](C)C)cc1 ZINC000809603997 630760179 /nfs/dbraw/zinc/76/01/79/630760179.db2.gz DVGIXGSGXJWEKQ-SFHVURJKSA-N 1 1 272.436 3.124 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)cc1 ZINC000809656984 630775973 /nfs/dbraw/zinc/77/59/73/630775973.db2.gz QRYTVCKYMXNTNR-BXUZGUMPSA-N 1 1 267.294 3.441 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)Cc1cc(OC)cc(OC)c1 ZINC000809718363 630789880 /nfs/dbraw/zinc/78/98/80/630789880.db2.gz TUDQAJWKKDSWLM-UHFFFAOYSA-N 1 1 295.382 3.339 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1cc(OC)cc(OC)c1 ZINC000809718363 630789884 /nfs/dbraw/zinc/78/98/84/630789884.db2.gz TUDQAJWKKDSWLM-UHFFFAOYSA-N 1 1 295.382 3.339 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000810046918 630833359 /nfs/dbraw/zinc/83/33/59/630833359.db2.gz CMUXNGJOOQZNFU-HNNXBMFYSA-N 1 1 263.768 3.209 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000810046918 630833366 /nfs/dbraw/zinc/83/33/66/630833366.db2.gz CMUXNGJOOQZNFU-HNNXBMFYSA-N 1 1 263.768 3.209 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(N2CCCCC2=O)cc1 ZINC000810132799 630841134 /nfs/dbraw/zinc/84/11/34/630841134.db2.gz WAKUAMSQTOTDME-CQSZACIVSA-N 1 1 297.402 3.158 20 30 CGEDMO C=C[C@@H](CC(=O)O[C@@H](C)Cn1cc[nH+]c1C)c1ccccc1 ZINC000810617625 630906987 /nfs/dbraw/zinc/90/69/87/630906987.db2.gz CIZAFSVHSZPWIU-HOCLYGCPSA-N 1 1 298.386 3.483 20 30 CGEDMO C#CC[NH+](CC#C)C/C(C)=C\c1ccccc1OC(F)F ZINC000811463937 631069139 /nfs/dbraw/zinc/06/91/39/631069139.db2.gz LLWNXQOMMOPQGE-OWBHPGMISA-N 1 1 289.325 3.260 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)cc1 ZINC000811510735 631078209 /nfs/dbraw/zinc/07/82/09/631078209.db2.gz NVSVMSQUEMERPA-MSOLQXFVSA-N 1 1 299.414 3.088 20 30 CGEDMO Cc1ccnc(N=NC2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000811643477 631095718 /nfs/dbraw/zinc/09/57/18/631095718.db2.gz DMPYLSVAHVOVOW-OAHLLOKOSA-N 1 1 294.402 3.452 20 30 CGEDMO C[C@H]1C(=NO[C@H]2CCCCO2)CC[N@H+]1Cc1ccccc1 ZINC000811646176 631096802 /nfs/dbraw/zinc/09/68/02/631096802.db2.gz NRYNNJOLXHMNBE-YOEHRIQHSA-N 1 1 288.391 3.180 20 30 CGEDMO C[C@H]1C(=NO[C@H]2CCCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000811646176 631096806 /nfs/dbraw/zinc/09/68/06/631096806.db2.gz NRYNNJOLXHMNBE-YOEHRIQHSA-N 1 1 288.391 3.180 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccn2)CCC1=NOC/C=C\Cl ZINC000811668635 631106782 /nfs/dbraw/zinc/10/67/82/631106782.db2.gz IKBDMANHUUQFEY-QFABQZNQSA-N 1 1 293.798 3.049 20 30 CGEDMO CN(C)c1ccc(C#N)cc1C[N@H+](C)Cc1ccsc1 ZINC000876549476 634855613 /nfs/dbraw/zinc/85/56/13/634855613.db2.gz QSDUKSATXWSTAZ-UHFFFAOYSA-N 1 1 285.416 3.318 20 30 CGEDMO CN(C)c1ccc(C#N)cc1C[N@@H+](C)Cc1ccsc1 ZINC000876549476 634855615 /nfs/dbraw/zinc/85/56/15/634855615.db2.gz QSDUKSATXWSTAZ-UHFFFAOYSA-N 1 1 285.416 3.318 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CC1 ZINC000814675407 631620718 /nfs/dbraw/zinc/62/07/18/631620718.db2.gz MIUYYXBYTQTEDS-GASCZTMLSA-N 1 1 294.439 3.141 20 30 CGEDMO c1cc2c3c(c1)C(=[NH+]O[C@H]1CCCCO1)CC[C@H]3CN2 ZINC000814887521 631666154 /nfs/dbraw/zinc/66/61/54/631666154.db2.gz OMSVVCFWVJBBOF-NHYWBVRUSA-N 1 1 272.348 3.237 20 30 CGEDMO COCCCON=C1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000814931892 631687521 /nfs/dbraw/zinc/68/75/21/631687521.db2.gz WJSAZKIXYKVIRA-HNNXBMFYSA-N 1 1 290.407 3.080 20 30 CGEDMO CCOc1ccc(N=NC2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000814985245 631702279 /nfs/dbraw/zinc/70/22/79/631702279.db2.gz YJXJNBQQUVQXKC-LBPRGKRZSA-N 1 1 273.380 3.110 20 30 CGEDMO C[C@]12CC[N@H+]([C@@H]3CC[C@H](C#N)C3)C[C@H]1C2(Cl)Cl ZINC000815114755 631720441 /nfs/dbraw/zinc/72/04/41/631720441.db2.gz USWHVGJIJUWRDD-QCNOEVLYSA-N 1 1 273.207 3.194 20 30 CGEDMO N#CCCCCOC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000815444662 631781045 /nfs/dbraw/zinc/78/10/45/631781045.db2.gz HGESCPCFUOCCNZ-OAHLLOKOSA-N 1 1 278.396 3.021 20 30 CGEDMO C=C(CC)COC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000815444950 631781189 /nfs/dbraw/zinc/78/11/89/631781189.db2.gz OLYMDYUTPVWNOV-HNNXBMFYSA-N 1 1 265.397 3.293 20 30 CGEDMO C=CCCC(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000816454706 631985857 /nfs/dbraw/zinc/98/58/57/631985857.db2.gz IEAYMDNXPJCSRE-NVXWUHKLSA-N 1 1 287.403 3.406 20 30 CGEDMO CC(C)[N@@H+](CCOCCC#N)[C@H](C)c1ccsc1 ZINC000817288341 632116355 /nfs/dbraw/zinc/11/63/55/632116355.db2.gz XGBMOVJAJDZBHB-CYBMUJFWSA-N 1 1 266.410 3.450 20 30 CGEDMO C#CCOc1ccc([C@H](C)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000817986885 632275958 /nfs/dbraw/zinc/27/59/58/632275958.db2.gz VHUDJDNLSWYATF-DOTOQJQBSA-N 1 1 298.430 3.024 20 30 CGEDMO Cc1ncsc1CC[N@H+](C)CCc1cccc(C#N)c1 ZINC000879433493 635787411 /nfs/dbraw/zinc/78/74/11/635787411.db2.gz USWFYENXNLJSRE-UHFFFAOYSA-N 1 1 285.416 3.040 20 30 CGEDMO C=CC1(CC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CCCCC1 ZINC000820342774 632609396 /nfs/dbraw/zinc/60/93/96/632609396.db2.gz NTMPRJBRMBSPLO-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO CN(C)c1[nH+]cc(/C=C\C(=O)c2ccc(Cl)s2)n1C ZINC000821028811 632714130 /nfs/dbraw/zinc/71/41/30/632714130.db2.gz WUBDUGUBUBFIHA-PLNGDYQASA-N 1 1 295.795 3.097 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)cc1 ZINC000822530088 632961156 /nfs/dbraw/zinc/96/11/56/632961156.db2.gz PTCMKHUKMWBZBK-LJQANCHMSA-N 1 1 295.426 3.449 20 30 CGEDMO C#CC[N@H+](CC[C@H]1CC1(Cl)Cl)C1CCCC1 ZINC000822679931 633004424 /nfs/dbraw/zinc/00/44/24/633004424.db2.gz CMRBCHBIADVVFO-NSHDSACASA-N 1 1 260.208 3.448 20 30 CGEDMO N#CCCC[C@@H]([NH3+])c1nc([C@@H]2CCc3ccccc3C2)no1 ZINC000822845256 633029007 /nfs/dbraw/zinc/02/90/07/633029007.db2.gz JZRNCQYKQBUWAE-HUUCEWRRSA-N 1 1 296.374 3.036 20 30 CGEDMO N#CCCC[C@H]([NH3+])c1nc(C2(c3ccccc3)CCC2)no1 ZINC000823006620 633048865 /nfs/dbraw/zinc/04/88/65/633048865.db2.gz KWFYAXAYCMPUTQ-AWEZNQCLSA-N 1 1 296.374 3.233 20 30 CGEDMO CSc1cc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)ccn1 ZINC000866288735 633066729 /nfs/dbraw/zinc/06/67/29/633066729.db2.gz LTTMBAHJWUPUJI-NSHDSACASA-N 1 1 299.399 3.232 20 30 CGEDMO Cc1cccc(C2(c3noc([C@@H]([NH3+])CCCC#N)n3)CC2)c1 ZINC000823235729 633079141 /nfs/dbraw/zinc/07/91/41/633079141.db2.gz VISGIEUFZODPPU-AWEZNQCLSA-N 1 1 296.374 3.152 20 30 CGEDMO COc1cc(F)cc(C[N@H+](CCC#N)CC(C)C)c1 ZINC000823382392 633095719 /nfs/dbraw/zinc/09/57/19/633095719.db2.gz JOYBJSNZHQKPKZ-UHFFFAOYSA-N 1 1 264.344 3.206 20 30 CGEDMO COc1cc(F)cc(C[N@@H+](CCC#N)CC(C)C)c1 ZINC000823382392 633095721 /nfs/dbraw/zinc/09/57/21/633095721.db2.gz JOYBJSNZHQKPKZ-UHFFFAOYSA-N 1 1 264.344 3.206 20 30 CGEDMO Cc1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2O)nc1C ZINC000866373381 633108953 /nfs/dbraw/zinc/10/89/53/633108953.db2.gz XCACPRAJQUDEGW-CYBMUJFWSA-N 1 1 281.359 3.127 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)c1ccccc1 ZINC000823619137 633127918 /nfs/dbraw/zinc/12/79/18/633127918.db2.gz YBPBPSYSJGXNTI-KSSFIOAISA-N 1 1 280.371 3.285 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000823618189 633128166 /nfs/dbraw/zinc/12/81/66/633128166.db2.gz PGQUMQQYRZGJCN-CZUORRHYSA-N 1 1 298.386 3.037 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2nn(CC)nc2C)CCCC1(C)C ZINC000824296189 633226054 /nfs/dbraw/zinc/22/60/54/633226054.db2.gz BGXOPPIZDYRCMK-HNNXBMFYSA-N 1 1 276.428 3.173 20 30 CGEDMO Cc1cc(O)c(C[N@@H+](C)[C@H](C)CC#N)cc1Cl ZINC000824714638 633277846 /nfs/dbraw/zinc/27/78/46/633277846.db2.gz SUESHKGFIWRLOF-SNVBAGLBSA-N 1 1 252.745 3.088 20 30 CGEDMO CC(C)[N@H+](Cc1cc(C#N)cnc1Cl)CC1CC1 ZINC000876606203 634866508 /nfs/dbraw/zinc/86/65/08/634866508.db2.gz XQDZETYALIETOO-UHFFFAOYSA-N 1 1 263.772 3.227 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[NH2+][C@@H](c2ccccc2C)C1 ZINC000825168726 633334001 /nfs/dbraw/zinc/33/40/01/633334001.db2.gz BUHMRZBAYGMBQT-SJLPKXTDSA-N 1 1 286.419 3.070 20 30 CGEDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cc1F ZINC000826861995 633437887 /nfs/dbraw/zinc/43/78/87/633437887.db2.gz QPLQONPVNNTLIL-CYBMUJFWSA-N 1 1 275.371 3.017 20 30 CGEDMO CC#CCCCC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000870123944 633533641 /nfs/dbraw/zinc/53/36/41/633533641.db2.gz WBOFSALHKKEJSE-KRWDZBQOSA-N 1 1 298.430 3.085 20 30 CGEDMO C#CC[N@H+](CCCOCC)[C@H]1CCc2ccccc21 ZINC000123515512 633712068 /nfs/dbraw/zinc/71/20/68/633712068.db2.gz PIXMIVCXIQDNLE-KRWDZBQOSA-N 1 1 257.377 3.036 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000829510935 633744402 /nfs/dbraw/zinc/74/44/02/633744402.db2.gz SKYYQWAPZJZTRU-GOSISDBHSA-N 1 1 273.420 3.369 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000829769155 633779429 /nfs/dbraw/zinc/77/94/29/633779429.db2.gz PSJNHCFHXFEHRR-MRXNPFEDSA-N 1 1 279.387 3.108 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(OC)c(F)c2)C1 ZINC000829774406 633780063 /nfs/dbraw/zinc/78/00/63/633780063.db2.gz PUQTWWIISKIIQD-ZDUSSCGKSA-N 1 1 261.340 3.070 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000829773459 633780105 /nfs/dbraw/zinc/78/01/05/633780105.db2.gz FCNNFHAXPCTRDI-OAHLLOKOSA-N 1 1 277.371 3.046 20 30 CGEDMO C#CC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2CC)C1 ZINC000829774273 633780386 /nfs/dbraw/zinc/78/03/86/633780386.db2.gz OLPAZYOHKIRNPV-CVEARBPZSA-N 1 1 298.430 3.311 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000829778543 633782475 /nfs/dbraw/zinc/78/24/75/633782475.db2.gz DUUCUQLUKASVHY-IAGOWNOFSA-N 1 1 298.430 3.366 20 30 CGEDMO C#CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000829778544 633782785 /nfs/dbraw/zinc/78/27/85/633782785.db2.gz DUUCUQLUKASVHY-IRXDYDNUSA-N 1 1 298.430 3.366 20 30 CGEDMO C#CC[C@H]1CCC[N@H+]([C@@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000829804453 633789423 /nfs/dbraw/zinc/78/94/23/633789423.db2.gz HKEMSERBVGIOOU-KBPBESRZSA-N 1 1 289.375 3.171 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000829810538 633792881 /nfs/dbraw/zinc/79/28/81/633792881.db2.gz QVNJDEIVVVGHPM-QGZVFWFLSA-N 1 1 293.414 3.416 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cccc(C(C)=O)c2)C1 ZINC000829815359 633795884 /nfs/dbraw/zinc/79/58/84/633795884.db2.gz KIULUHRFYUYRFS-HNNXBMFYSA-N 1 1 255.361 3.125 20 30 CGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(Cc2cc(C)cc(C)c2)no1 ZINC000872173295 634077765 /nfs/dbraw/zinc/07/77/65/634077765.db2.gz MYHFMERRCZLIBW-CYBMUJFWSA-N 1 1 291.782 3.420 20 30 CGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc([C@H]2CCCCS2)no1 ZINC000872177475 634078560 /nfs/dbraw/zinc/07/85/60/634078560.db2.gz AOAPAFRJAZJCEP-RKDXNWHRSA-N 1 1 273.789 3.170 20 30 CGEDMO C=C(Cl)C[C@H]([NH3+])c1nc([C@@H]2CCCCS2)no1 ZINC000872177474 634079335 /nfs/dbraw/zinc/07/93/35/634079335.db2.gz AOAPAFRJAZJCEP-IUCAKERBSA-N 1 1 273.789 3.170 20 30 CGEDMO CSc1nnc(SC)n1[NH+]=C[C@H]1CCC[C@@H](C)C1 ZINC000872417572 634140939 /nfs/dbraw/zinc/14/09/39/634140939.db2.gz FJESBSWPQCRINK-ZJUUUORDSA-N 1 1 284.454 3.382 20 30 CGEDMO CCCCCCCCC(=O)N1CC[C@H]([NH+]2CCC2)[C@H](F)C1 ZINC000834599625 634195556 /nfs/dbraw/zinc/19/55/56/634195556.db2.gz MUDCDQXHYAINBF-CVEARBPZSA-N 1 1 298.446 3.382 20 30 CGEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CCn2ccnc21 ZINC000834831609 634251838 /nfs/dbraw/zinc/25/18/38/634251838.db2.gz KQYJTVJZPPVNFQ-IRXDYDNUSA-N 1 1 292.386 3.257 20 30 CGEDMO C#CCOc1ccc(C[NH2+][C@H](C)c2cscn2)cc1 ZINC000834890422 634269740 /nfs/dbraw/zinc/26/97/40/634269740.db2.gz JTBCDOACUOFYAA-GFCCVEGCSA-N 1 1 272.373 3.006 20 30 CGEDMO CC(C)c1ccc(N[NH+]=Cc2cnc(N(C)C)n2C)cc1 ZINC000835017932 634320078 /nfs/dbraw/zinc/32/00/78/634320078.db2.gz CTUWLWKINRWFOG-UHFFFAOYSA-N 1 1 285.395 3.056 20 30 CGEDMO C[N@H+](CCc1cccs1)Cc1cc(C#N)cnc1Cl ZINC000876769465 634896752 /nfs/dbraw/zinc/89/67/52/634896752.db2.gz YADPPABTXQITDO-UHFFFAOYSA-N 1 1 291.807 3.343 20 30 CGEDMO C[N@@H+](CCc1cccs1)Cc1cc(C#N)cnc1Cl ZINC000876769465 634896754 /nfs/dbraw/zinc/89/67/54/634896754.db2.gz YADPPABTXQITDO-UHFFFAOYSA-N 1 1 291.807 3.343 20 30 CGEDMO CCC[N@@H+]1Cc2cccc(NC(=O)C#CC(C)(C)C)c2C1 ZINC000837392576 634900999 /nfs/dbraw/zinc/90/09/99/634900999.db2.gz YHNFDKXDFKWUJM-UHFFFAOYSA-N 1 1 284.403 3.400 20 30 CGEDMO CCC[N@H+]1Cc2cccc(NC(=O)C#CC(C)(C)C)c2C1 ZINC000837392576 634901001 /nfs/dbraw/zinc/90/10/01/634901001.db2.gz YHNFDKXDFKWUJM-UHFFFAOYSA-N 1 1 284.403 3.400 20 30 CGEDMO CC1(C)CC[N@H+](Cc2cc(C#N)cnc2Cl)CCS1 ZINC000877485109 635054360 /nfs/dbraw/zinc/05/43/60/635054360.db2.gz KWEBIAWDXHBBTJ-UHFFFAOYSA-N 1 1 295.839 3.324 20 30 CGEDMO CC1(C)CC[N@@H+](Cc2cc(C#N)cnc2Cl)CCS1 ZINC000877485109 635054362 /nfs/dbraw/zinc/05/43/62/635054362.db2.gz KWEBIAWDXHBBTJ-UHFFFAOYSA-N 1 1 295.839 3.324 20 30 CGEDMO Cc1cc(F)cc2c1C[N@@H+](C[C@H](C)CCC#N)CC2 ZINC000877499105 635061542 /nfs/dbraw/zinc/06/15/42/635061542.db2.gz CZWMVXNAHBGFAF-GFCCVEGCSA-N 1 1 260.356 3.432 20 30 CGEDMO C#C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)cc1F ZINC000877519838 635068480 /nfs/dbraw/zinc/06/84/80/635068480.db2.gz ZSYHKOODFJSCFK-FFSVYQOJSA-N 1 1 294.801 3.226 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@@]1(C)CCCO ZINC000877528678 635073769 /nfs/dbraw/zinc/07/37/69/635073769.db2.gz HUOYNNPNBDWWJM-INIZCTEOSA-N 1 1 251.414 3.197 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000877540274 635079333 /nfs/dbraw/zinc/07/93/33/635079333.db2.gz VGSGOBIXJBXMNY-QAPCUYQASA-N 1 1 284.403 3.396 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000877552808 635086548 /nfs/dbraw/zinc/08/65/48/635086548.db2.gz XEIIJXADRBXRGO-WCQYABFASA-N 1 1 292.345 3.358 20 30 CGEDMO CSC(C)(C)CC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000877616638 635114251 /nfs/dbraw/zinc/11/42/51/635114251.db2.gz LWVFBKUCCLXBOX-UHFFFAOYSA-N 1 1 260.406 3.406 20 30 CGEDMO CSC(C)(C)CC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000877616638 635114257 /nfs/dbraw/zinc/11/42/57/635114257.db2.gz LWVFBKUCCLXBOX-UHFFFAOYSA-N 1 1 260.406 3.406 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000877616321 635115024 /nfs/dbraw/zinc/11/50/24/635115024.db2.gz AVSTWGYQQXLGKW-AWEZNQCLSA-N 1 1 250.345 3.080 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2Cc3cccc(O)c3C2)cc1 ZINC000877703718 635155287 /nfs/dbraw/zinc/15/52/87/635155287.db2.gz QUIBOZWHXACTHI-CYBMUJFWSA-N 1 1 294.354 3.199 20 30 CGEDMO CC[C@H]1C[C@@H](C[N@@H+](C)CCc2cccc(C#N)c2)CCO1 ZINC000877704971 635156872 /nfs/dbraw/zinc/15/68/72/635156872.db2.gz YUFYCNFINPPZQD-ROUUACIJSA-N 1 1 286.419 3.238 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CC[C@H](C(F)(F)F)O1 ZINC000877823774 635228586 /nfs/dbraw/zinc/22/85/86/635228586.db2.gz NCJAVZOHVIRNLZ-BXUZGUMPSA-N 1 1 298.308 3.100 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@H](C(F)(F)F)O1 ZINC000877823774 635228590 /nfs/dbraw/zinc/22/85/90/635228590.db2.gz NCJAVZOHVIRNLZ-BXUZGUMPSA-N 1 1 298.308 3.100 20 30 CGEDMO Cc1cc(O)c(C[NH2+]CC2(C#N)CCC2)c(Cl)c1 ZINC000841898878 635250809 /nfs/dbraw/zinc/25/08/09/635250809.db2.gz PVWYWVSZMTUAPH-UHFFFAOYSA-N 1 1 264.756 3.138 20 30 CGEDMO CC[N@H+](C[C@H](C)C#N)C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000878020746 635324246 /nfs/dbraw/zinc/32/42/46/635324246.db2.gz PSXINIAMBGYZNF-PVAVHDDUSA-N 1 1 272.392 3.388 20 30 CGEDMO CC[N@@H+](C[C@H](C)C#N)C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000878020746 635324253 /nfs/dbraw/zinc/32/42/53/635324253.db2.gz PSXINIAMBGYZNF-PVAVHDDUSA-N 1 1 272.392 3.388 20 30 CGEDMO C[C@H](C#N)C[N@H+](C)C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000878034537 635331851 /nfs/dbraw/zinc/33/18/51/635331851.db2.gz GIGQGGWHWSMLRP-DJIMGWMZSA-N 1 1 272.392 3.388 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C)C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC000878034537 635331860 /nfs/dbraw/zinc/33/18/60/635331860.db2.gz GIGQGGWHWSMLRP-DJIMGWMZSA-N 1 1 272.392 3.388 20 30 CGEDMO C#CCCCCC[N@@H+]1CCC[C@H](OCCC)CC1 ZINC000878088023 635350874 /nfs/dbraw/zinc/35/08/74/635350874.db2.gz FFFNFJKFGNMNMH-INIZCTEOSA-N 1 1 251.414 3.461 20 30 CGEDMO c1ccc([C@@H]2CC(=NNC34CC(C3)C4)CC[N@@H+]2C2CC2)cc1 ZINC000842544364 635397923 /nfs/dbraw/zinc/39/79/23/635397923.db2.gz SBGTXMXJISXUPN-WHDUELSGSA-N 1 1 295.430 3.484 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C[C@H]1CC(C)(C)OC1(C)C)C1CC1 ZINC000878299079 635449467 /nfs/dbraw/zinc/44/94/67/635449467.db2.gz MUXYFUUYRJMOEF-CHWSQXEVSA-N 1 1 264.413 3.204 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCCOC(F)(F)F ZINC000878728054 635618208 /nfs/dbraw/zinc/61/82/08/635618208.db2.gz IBZALZWTOZACFU-LLVKDONJSA-N 1 1 286.297 3.478 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccccc2-c2ccnn2C)C1 ZINC000843422309 635666950 /nfs/dbraw/zinc/66/69/50/635666950.db2.gz DTTUSALOFDGLMH-INIZCTEOSA-N 1 1 293.414 3.322 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc(C)c(O)c(C)c2)C1 ZINC000843422402 635667018 /nfs/dbraw/zinc/66/70/18/635667018.db2.gz FCALWNLGPQCTDD-OAHLLOKOSA-N 1 1 257.377 3.244 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000843423872 635667829 /nfs/dbraw/zinc/66/78/29/635667829.db2.gz LGARDBPSRHBGQN-ZDUSSCGKSA-N 1 1 274.433 3.257 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](CCCc2cnccc2C)C1 ZINC000843424092 635668244 /nfs/dbraw/zinc/66/82/44/635668244.db2.gz VLEWPLGDZLYWRI-MRXNPFEDSA-N 1 1 256.393 3.058 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(OCC)c(OC)c2)C1 ZINC000843423990 635668736 /nfs/dbraw/zinc/66/87/36/635668736.db2.gz NMPQMZDEGFMTDV-HNNXBMFYSA-N 1 1 287.403 3.329 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000843424546 635669615 /nfs/dbraw/zinc/66/96/15/635669615.db2.gz VVJUQYKZIWPOQE-HOTGVXAUSA-N 1 1 282.387 3.213 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCC[C@H](c2ncc(C(=O)OC)s2)C1 ZINC000879008614 635680559 /nfs/dbraw/zinc/68/05/59/635680559.db2.gz VAKAKZAUOHQUGD-RYUDHWBXSA-N 1 1 294.420 3.074 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879563387 635810474 /nfs/dbraw/zinc/81/04/74/635810474.db2.gz CMSQFTGYWLTBEL-HOTGVXAUSA-N 1 1 272.417 3.052 20 30 CGEDMO CC(C)C[C@@H](C)C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844367937 635882494 /nfs/dbraw/zinc/88/24/94/635882494.db2.gz DGEDPGVMYBBAJA-PBHICJAKSA-N 1 1 274.408 3.206 20 30 CGEDMO CCCCCC[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844368191 635882707 /nfs/dbraw/zinc/88/27/07/635882707.db2.gz CQWQQXYLPKPVMV-MRXNPFEDSA-N 1 1 260.381 3.104 20 30 CGEDMO N#CCCCC[N@@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000844373061 635884159 /nfs/dbraw/zinc/88/41/59/635884159.db2.gz JCJCYDHQTXEWRI-INIZCTEOSA-N 1 1 292.810 3.317 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000844373510 635884276 /nfs/dbraw/zinc/88/42/76/635884276.db2.gz JCXJANQJJBKPKS-BBRMVZONSA-N 1 1 292.810 3.316 20 30 CGEDMO Cc1nnsc1[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000930212780 635884671 /nfs/dbraw/zinc/88/46/71/635884671.db2.gz IDJQBGFYGBBMQD-NXEZZACHSA-N 1 1 272.377 3.130 20 30 CGEDMO CC(=O)Nc1ccc2c(c1)C[N@H+](CCCC(C)(C)C#N)CC2 ZINC000880030466 635902031 /nfs/dbraw/zinc/90/20/31/635902031.db2.gz PRYLFNRTARMRGQ-UHFFFAOYSA-N 1 1 299.418 3.333 20 30 CGEDMO N#CCC1(C[N@H+]2CCCC[C@@H](C3CCOCC3)C2)CC1 ZINC000880578236 636025848 /nfs/dbraw/zinc/02/58/48/636025848.db2.gz RAUQVDZQLOXJFH-MRXNPFEDSA-N 1 1 276.424 3.209 20 30 CGEDMO C#CC[N@H+](Cc1cc(OC)c(OC)cc1F)C1CCCC1 ZINC000845910214 636118286 /nfs/dbraw/zinc/11/82/86/636118286.db2.gz LZWJKMDWULIWBX-UHFFFAOYSA-N 1 1 291.366 3.221 20 30 CGEDMO CCC(CC)C[N@H+](CCC#N)Cc1ccc2nonc2c1 ZINC000846812279 636249557 /nfs/dbraw/zinc/24/95/57/636249557.db2.gz UUTVLQAVXNKPJV-UHFFFAOYSA-N 1 1 286.379 3.375 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)Cc1ccc2nonc2c1 ZINC000846812279 636249561 /nfs/dbraw/zinc/24/95/61/636249561.db2.gz UUTVLQAVXNKPJV-UHFFFAOYSA-N 1 1 286.379 3.375 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000846979641 636298842 /nfs/dbraw/zinc/29/88/42/636298842.db2.gz BSSVKMILTNFNJQ-GXFFZTMASA-N 1 1 287.190 3.309 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000847023411 636315681 /nfs/dbraw/zinc/31/56/81/636315681.db2.gz MJUJDOWYBNKWMN-IAGOWNOFSA-N 1 1 298.430 3.284 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000847023411 636315685 /nfs/dbraw/zinc/31/56/85/636315685.db2.gz MJUJDOWYBNKWMN-IAGOWNOFSA-N 1 1 298.430 3.284 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000847029978 636318897 /nfs/dbraw/zinc/31/88/97/636318897.db2.gz ORQKFINQIVLXJS-HZPDHXFCSA-N 1 1 298.430 3.482 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000847029978 636318901 /nfs/dbraw/zinc/31/89/01/636318901.db2.gz ORQKFINQIVLXJS-HZPDHXFCSA-N 1 1 298.430 3.482 20 30 CGEDMO C#CCCOc1ccc(CNc2[nH+]cccc2C)cc1 ZINC000130981089 636539063 /nfs/dbraw/zinc/53/90/63/636539063.db2.gz ARBVFRBTPFQXMA-UHFFFAOYSA-N 1 1 266.344 3.404 20 30 CGEDMO Clc1ccnc(N=NC2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000848408695 636570057 /nfs/dbraw/zinc/57/00/57/636570057.db2.gz WLXUPOHZLZYMBI-CYBMUJFWSA-N 1 1 278.787 3.151 20 30 CGEDMO C=CCC[C@H]([NH2+]CCc1ccc2cn[nH]c2c1)[C@@H]1CCCO1 ZINC000883220064 636593845 /nfs/dbraw/zinc/59/38/45/636593845.db2.gz DBDGIZNFQHEMKY-WMZOPIPTSA-N 1 1 299.418 3.209 20 30 CGEDMO C=CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000883223500 636595130 /nfs/dbraw/zinc/59/51/30/636595130.db2.gz QHJMWJCRJPKHCQ-IAGOWNOFSA-N 1 1 295.430 3.434 20 30 CGEDMO CCCCCCC[N@@H+](CCS(C)(=O)=O)C(C)(C)C ZINC000131488992 636667673 /nfs/dbraw/zinc/66/76/73/636667673.db2.gz YTNZCGYRXXEXAG-UHFFFAOYSA-N 1 1 277.474 3.102 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc3cc(Cl)cnc3o2)C1 ZINC000848923987 636694909 /nfs/dbraw/zinc/69/49/09/636694909.db2.gz MBEYRRKXAGVMCH-LLVKDONJSA-N 1 1 274.751 3.326 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc3nc(C)ccc3c2)C1 ZINC000848923942 636695073 /nfs/dbraw/zinc/69/50/73/636695073.db2.gz LMKZULHJRJKYIO-HNNXBMFYSA-N 1 1 264.372 3.388 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000848924491 636697866 /nfs/dbraw/zinc/69/78/66/636697866.db2.gz UASGJHXQHXBKHB-ZDUSSCGKSA-N 1 1 283.400 3.050 20 30 CGEDMO CC[C@@H]1C[C@H](C[N@H+]2Cc3ccc(C#N)cc3C2)CCO1 ZINC000848926484 636699089 /nfs/dbraw/zinc/69/90/89/636699089.db2.gz YSSDOIOOJBVEPB-RHSMWYFYSA-N 1 1 270.376 3.079 20 30 CGEDMO CC(C)(C)[N@H+]1CC[C@@H]1C/N=C/c1cc(Cl)ccc1O ZINC000849170588 636763104 /nfs/dbraw/zinc/76/31/04/636763104.db2.gz NGIOFBZBAYSOON-LFMVTYOGSA-N 1 1 280.799 3.337 20 30 CGEDMO C[C@H](CC#N)[NH2+]Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000849321495 636808980 /nfs/dbraw/zinc/80/89/80/636808980.db2.gz GKCXWZZKSWFVKK-GFCCVEGCSA-N 1 1 289.379 3.425 20 30 CGEDMO Cc1[nH+]cc(CNc2ccc(OC(C)(C)C)c(C#N)c2)n1C ZINC000849345362 636815111 /nfs/dbraw/zinc/81/51/11/636815111.db2.gz CKEIWHXWVQIOHC-UHFFFAOYSA-N 1 1 298.390 3.390 20 30 CGEDMO C#Cc1ccc(CN[C@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000850382802 637040946 /nfs/dbraw/zinc/04/09/46/637040946.db2.gz XXFFKGPAMRWNHV-SFHVURJKSA-N 1 1 282.431 3.165 20 30 CGEDMO C#Cc1ccc(C[NH2+][C@H]2CCN(C3CCCCC3)C2)cc1 ZINC000850382802 637040951 /nfs/dbraw/zinc/04/09/51/637040951.db2.gz XXFFKGPAMRWNHV-SFHVURJKSA-N 1 1 282.431 3.165 20 30 CGEDMO CC[C@@H]([NH2+]Cc1ccc(C#N)o1)c1ccccc1OC ZINC000135146105 637092519 /nfs/dbraw/zinc/09/25/19/637092519.db2.gz ZQXUYUOAQQKTNE-OAHLLOKOSA-N 1 1 270.332 3.401 20 30 CGEDMO C=CCC[C@@H]([NH2+]Cc1cn(CC)nn1)c1ccccc1 ZINC000850522532 637101314 /nfs/dbraw/zinc/10/13/14/637101314.db2.gz TVSNECCRLJISTE-MRXNPFEDSA-N 1 1 270.380 3.095 20 30 CGEDMO C#Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)c(Cl)c1 ZINC000885667737 637279828 /nfs/dbraw/zinc/27/98/28/637279828.db2.gz LQERGAHYTYEGLR-HNNXBMFYSA-N 1 1 290.794 3.133 20 30 CGEDMO C#Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c(Cl)c1 ZINC000885667737 637279832 /nfs/dbraw/zinc/27/98/32/637279832.db2.gz LQERGAHYTYEGLR-HNNXBMFYSA-N 1 1 290.794 3.133 20 30 CGEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@@H]2c2ccsc2)CCC1 ZINC000885953770 637329202 /nfs/dbraw/zinc/32/92/02/637329202.db2.gz FMHNRGOMJLHSOI-LSDHHAIUSA-N 1 1 290.432 3.330 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1F)C[C@H]1C[C@@]12CCOC2 ZINC000885963893 637335591 /nfs/dbraw/zinc/33/55/91/637335591.db2.gz RUBAVJYKOYKGOT-NVXWUHKLSA-N 1 1 275.367 3.240 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@@H+](CCc2ccccc2)C2CC2)CCC1 ZINC000885967615 637336702 /nfs/dbraw/zinc/33/67/02/637336702.db2.gz UOSRZYFCGBBSPJ-GOSISDBHSA-N 1 1 298.430 3.138 20 30 CGEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1C[C@@]12CCOC2 ZINC000885970793 637337367 /nfs/dbraw/zinc/33/73/67/637337367.db2.gz KLGWGCQMYWSNDB-RTBURBONSA-N 1 1 298.430 3.443 20 30 CGEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886027858 637374035 /nfs/dbraw/zinc/37/40/35/637374035.db2.gz JOVIIUKDRWKQKO-RRFJBIMHSA-N 1 1 296.480 3.037 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H]1C[C@]12CCOC2 ZINC000886028115 637374107 /nfs/dbraw/zinc/37/41/07/637374107.db2.gz MJQDSJYFKGAJSL-RDGPPVDQSA-N 1 1 296.414 3.185 20 30 CGEDMO C=CC[N@@H+](CCC#N)C[C@H](C)COCc1ccccc1 ZINC000886215509 637459997 /nfs/dbraw/zinc/45/99/97/637459997.db2.gz LLFAHOMMXPEAEE-INIZCTEOSA-N 1 1 272.392 3.241 20 30 CGEDMO C=CC[N@H+](CCC#N)C[C@H](C)COCc1ccccc1 ZINC000886215509 637460004 /nfs/dbraw/zinc/46/00/04/637460004.db2.gz LLFAHOMMXPEAEE-INIZCTEOSA-N 1 1 272.392 3.241 20 30 CGEDMO CC(C)(C)C[C@H]1CC[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886238726 637466915 /nfs/dbraw/zinc/46/69/15/637466915.db2.gz GVOXOXSLUJIOHD-HUUCEWRRSA-N 1 1 278.440 3.189 20 30 CGEDMO C#CCOCC[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000851716055 637472032 /nfs/dbraw/zinc/47/20/32/637472032.db2.gz FQVHTVCCNUYFPF-OAHLLOKOSA-N 1 1 263.768 3.127 20 30 CGEDMO C#CCOCC[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000851731841 637481042 /nfs/dbraw/zinc/48/10/42/637481042.db2.gz ZLDPOYSRPWKOAD-HNNXBMFYSA-N 1 1 263.768 3.127 20 30 CGEDMO C[C@]1(c2ccccc2)CCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886318191 637498516 /nfs/dbraw/zinc/49/85/16/637498516.db2.gz MDTOWBGWJBZBGM-QZTJIDSGSA-N 1 1 298.430 3.442 20 30 CGEDMO N#CC1(C[C@H](O)C[N@H+]2C[C@@H]3CC[C@H]2c2ccccc23)CCC1 ZINC000886319603 637498598 /nfs/dbraw/zinc/49/85/98/637498598.db2.gz ITUFSFWKSKANPU-MPGHIAIKSA-N 1 1 296.414 3.366 20 30 CGEDMO C#CC[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2Cl)C1 ZINC000886355154 637510406 /nfs/dbraw/zinc/51/04/06/637510406.db2.gz DDYVLPWARLTORR-OLZOCXBDSA-N 1 1 290.794 3.012 20 30 CGEDMO C#CC[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2Cl)C1 ZINC000886355154 637510410 /nfs/dbraw/zinc/51/04/10/637510410.db2.gz DDYVLPWARLTORR-OLZOCXBDSA-N 1 1 290.794 3.012 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000886357029 637510536 /nfs/dbraw/zinc/51/05/36/637510536.db2.gz ABELGPCOFOYQQC-CYBMUJFWSA-N 1 1 288.778 3.088 20 30 CGEDMO C#CC[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000886355526 637510834 /nfs/dbraw/zinc/51/08/34/637510834.db2.gz JWACMTHILZWRKL-IRXDYDNUSA-N 1 1 298.430 3.284 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2coc(-c3cccs3)n2)C1 ZINC000886356353 637511121 /nfs/dbraw/zinc/51/11/21/637511121.db2.gz YJVYDAAHMZLVKQ-LBPRGKRZSA-N 1 1 272.373 3.248 20 30 CGEDMO C#CC[C@H]1CC[N@H+]([C@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC000886357821 637511388 /nfs/dbraw/zinc/51/13/88/637511388.db2.gz MHPLQTHCBDGRLD-CABCVRRESA-N 1 1 295.386 3.451 20 30 CGEDMO C#CC[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2Cl)C1 ZINC000886355156 637511851 /nfs/dbraw/zinc/51/18/51/637511851.db2.gz DDYVLPWARLTORR-STQMWFEESA-N 1 1 290.794 3.012 20 30 CGEDMO C#CC[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2Cl)C1 ZINC000886355156 637511853 /nfs/dbraw/zinc/51/18/53/637511853.db2.gz DDYVLPWARLTORR-STQMWFEESA-N 1 1 290.794 3.012 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](CC(=O)Nc2ccc3ccccc3c2)C1 ZINC000886359834 637512778 /nfs/dbraw/zinc/51/27/78/637512778.db2.gz KQGWCIRUEMRWDL-OAHLLOKOSA-N 1 1 292.382 3.124 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](CCc2nsc3ccccc32)C1 ZINC000886365449 637515517 /nfs/dbraw/zinc/51/55/17/637515517.db2.gz IPLDACUZRPZWAI-ZDUSSCGKSA-N 1 1 270.401 3.184 20 30 CGEDMO Cc1ccccc1[C@@H](CO)[N@H+](C)Cc1cccc(C#N)c1F ZINC000886439498 637530520 /nfs/dbraw/zinc/53/05/20/637530520.db2.gz YWRVRKMHXBAHFO-QGZVFWFLSA-N 1 1 298.361 3.171 20 30 CGEDMO Cc1ccccc1[C@@H](CO)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000886439498 637530526 /nfs/dbraw/zinc/53/05/26/637530526.db2.gz YWRVRKMHXBAHFO-QGZVFWFLSA-N 1 1 298.361 3.171 20 30 CGEDMO Cc1ccccc1[C@H](CO)[N@H+](C)Cc1cc(C#N)ccc1F ZINC000886431813 637530703 /nfs/dbraw/zinc/53/07/03/637530703.db2.gz HOQORPVIPBAAPV-SFHVURJKSA-N 1 1 298.361 3.171 20 30 CGEDMO Cc1ccccc1[C@H](CO)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000886431813 637530709 /nfs/dbraw/zinc/53/07/09/637530709.db2.gz HOQORPVIPBAAPV-SFHVURJKSA-N 1 1 298.361 3.171 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)CCSc1ccc(F)cc1F ZINC000851989500 637564837 /nfs/dbraw/zinc/56/48/37/637564837.db2.gz JQIDHEMKNIZTPW-JTQLQIEISA-N 1 1 255.333 3.010 20 30 CGEDMO C#C[C@](C)(CC)[NH2+]Cc1ncc(-c2ccc(F)cc2)o1 ZINC000852098361 637592503 /nfs/dbraw/zinc/59/25/03/637592503.db2.gz LBPWFPDBMKRWKL-MRXNPFEDSA-N 1 1 272.323 3.372 20 30 CGEDMO C#CCC[N@H+](C)[C@@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000852126935 637601166 /nfs/dbraw/zinc/60/11/66/637601166.db2.gz KCMGHHHFQGWMMC-JTQLQIEISA-N 1 1 261.756 3.232 20 30 CGEDMO C#CCCN(C)[C@@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000852126935 637601171 /nfs/dbraw/zinc/60/11/71/637601171.db2.gz KCMGHHHFQGWMMC-JTQLQIEISA-N 1 1 261.756 3.232 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC[C@@H]1COC(C)(C)O1 ZINC000852191807 637613330 /nfs/dbraw/zinc/61/33/30/637613330.db2.gz KPWJSRVHJPIGBX-XJKSGUPXSA-N 1 1 288.391 3.093 20 30 CGEDMO C=CC[N@@H+](Cc1cc(C)nc(Cl)c1)[C@@H](C)COC ZINC000852356445 637642423 /nfs/dbraw/zinc/64/24/23/637642423.db2.gz FEWMIKIUPDTFES-LBPRGKRZSA-N 1 1 268.788 3.066 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+]([C@@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC000852408948 637647456 /nfs/dbraw/zinc/64/74/56/637647456.db2.gz DKSPNTOKPZUQKR-NVXWUHKLSA-N 1 1 298.386 3.060 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC000852408948 637647464 /nfs/dbraw/zinc/64/74/64/637647464.db2.gz DKSPNTOKPZUQKR-NVXWUHKLSA-N 1 1 298.386 3.060 20 30 CGEDMO C[C@@H]([NH2+]Cc1cc(C2CC2)no1)c1ccc(C#N)c(F)c1 ZINC000886684224 637651026 /nfs/dbraw/zinc/65/10/26/637651026.db2.gz HTMAQGKBRMPJLJ-SNVBAGLBSA-N 1 1 285.322 3.414 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886686432 637651629 /nfs/dbraw/zinc/65/16/29/637651629.db2.gz PSBBPVHZOXOBIG-OAHLLOKOSA-N 1 1 286.423 3.376 20 30 CGEDMO C=CCC1(O)CC[NH+](Cc2ccc(Cl)cc2OC)CC1 ZINC000886778675 637685998 /nfs/dbraw/zinc/68/59/98/637685998.db2.gz NWSGLUNCZBTHGD-UHFFFAOYSA-N 1 1 295.810 3.252 20 30 CGEDMO N#CC1(CC[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)CCCCC1 ZINC000886818917 637707051 /nfs/dbraw/zinc/70/70/51/637707051.db2.gz LSMUKPSWJLWCMD-CVEARBPZSA-N 1 1 276.424 3.351 20 30 CGEDMO C#Cc1cccnc1N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000853154845 637773071 /nfs/dbraw/zinc/77/30/71/637773071.db2.gz HAPUGORLLLDGTO-GOSISDBHSA-N 1 1 291.398 3.139 20 30 CGEDMO CC(=[NH+]N1CCCC[C@@H]1C)c1cc(F)c(N)c(F)c1 ZINC000853381437 637830976 /nfs/dbraw/zinc/83/09/76/637830976.db2.gz CSETWYBTWBGCLA-VIFPVBQESA-N 1 1 267.323 3.145 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccn2)CCC1=NOCC1CCC1 ZINC000853439194 637843144 /nfs/dbraw/zinc/84/31/44/637843144.db2.gz FDEOHBIVKSYAIA-AWEZNQCLSA-N 1 1 287.407 3.096 20 30 CGEDMO C=CCCC[N@H+](C)Cn1ncc(Cl)c1C1CC1 ZINC000853496061 637855607 /nfs/dbraw/zinc/85/56/07/637855607.db2.gz BBXIBLKRXSYXHM-UHFFFAOYSA-N 1 1 253.777 3.269 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](CN2C(=O)C[C@H]2c2ccccc2)C1 ZINC000853537102 637863537 /nfs/dbraw/zinc/86/35/37/637863537.db2.gz PBGPMGABRVBYQH-RDJZCZTQSA-N 1 1 284.403 3.206 20 30 CGEDMO C=CC[N@H+](Cn1nc(Cl)c2ccccc21)[C@H](C)COC ZINC000853534640 637864216 /nfs/dbraw/zinc/86/42/16/637864216.db2.gz LDTIHSMXPCZFCO-GFCCVEGCSA-N 1 1 293.798 3.170 20 30 CGEDMO C=CC[N@@H+](Cn1nc(Cl)c2ccccc21)[C@H](C)COC ZINC000853534640 637864220 /nfs/dbraw/zinc/86/42/20/637864220.db2.gz LDTIHSMXPCZFCO-GFCCVEGCSA-N 1 1 293.798 3.170 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1C(=O)[C@H](C)[C@@H]1c1ccccc1 ZINC000853598415 637871739 /nfs/dbraw/zinc/87/17/39/637871739.db2.gz QQYCVHIMDZEGCG-NRSFXHEJSA-N 1 1 296.414 3.347 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1C[C@H](CC(C)(C)C)CC1=O ZINC000853598204 637871899 /nfs/dbraw/zinc/87/18/99/637871899.db2.gz OKXLLHPIENJBAF-HRCADAONSA-N 1 1 290.451 3.412 20 30 CGEDMO CC[C@H](CO[NH+]=C(N)c1ccc(OC)cc1)CC(F)F ZINC000853654143 637883410 /nfs/dbraw/zinc/88/34/10/637883410.db2.gz PPEOQJBXCPNSNP-JTQLQIEISA-N 1 1 286.322 3.014 20 30 CGEDMO CCCCCCCC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000855166470 638150451 /nfs/dbraw/zinc/15/04/51/638150451.db2.gz KAGNUCPGVWMNOZ-AWEZNQCLSA-N 1 1 268.445 3.336 20 30 CGEDMO C#Cc1cccc(NC(=O)NCC[N@@H+]2CCCC[C@H]2CC)c1 ZINC000113535567 638227929 /nfs/dbraw/zinc/22/79/29/638227929.db2.gz WZMXZKBSAJTFFN-QGZVFWFLSA-N 1 1 299.418 3.054 20 30 CGEDMO CC[C@H]([NH2+]Cc1c(C)noc1C)c1cccc(C#N)c1O ZINC000924782645 638403450 /nfs/dbraw/zinc/40/34/50/638403450.db2.gz PQLSFKGSWNOCDE-HNNXBMFYSA-N 1 1 285.347 3.110 20 30 CGEDMO C=CCCCNC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000857197054 638470321 /nfs/dbraw/zinc/47/03/21/638470321.db2.gz XBJYHVFPSOWRPL-KRWDZBQOSA-N 1 1 286.419 3.192 20 30 CGEDMO C#CC[C@H]([NH2+][C@@H](C)c1cc(OC)no1)c1ccccc1 ZINC000925635398 638551648 /nfs/dbraw/zinc/55/16/48/638551648.db2.gz QSRMNODSUHJVQV-JSGCOSHPSA-N 1 1 270.332 3.098 20 30 CGEDMO CCc1noc(C)c1C[NH2+][C@@H](CC)c1cccc(C#N)c1O ZINC000926480620 638775594 /nfs/dbraw/zinc/77/55/94/638775594.db2.gz GJJWCTMVARYECA-HNNXBMFYSA-N 1 1 299.374 3.364 20 30 CGEDMO C=C1CCC(C[NH2+][C@@H]2CCN(CC)C[C@H]2C)CC1 ZINC000926927165 638826870 /nfs/dbraw/zinc/82/68/70/638826870.db2.gz OXUGYNLELWCOQW-GDBMZVCRSA-N 1 1 250.430 3.053 20 30 CGEDMO C=CCn1ncc2ccc(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)cc21 ZINC000927067877 638837684 /nfs/dbraw/zinc/83/76/84/638837684.db2.gz RCZGPRTZXKPPRB-SJORKVTESA-N 1 1 296.418 3.261 20 30 CGEDMO C=CC[N@@H+](Cc1cnn(CCF)c1)Cc1cccs1 ZINC000929141483 638902398 /nfs/dbraw/zinc/90/23/98/638902398.db2.gz QMTMBVKNMMSHHX-UHFFFAOYSA-N 1 1 279.384 3.102 20 30 CGEDMO C=CC[N@H+](Cc1cnn(CCF)c1)Cc1cccs1 ZINC000929141483 638902401 /nfs/dbraw/zinc/90/24/01/638902401.db2.gz QMTMBVKNMMSHHX-UHFFFAOYSA-N 1 1 279.384 3.102 20 30 CGEDMO COC/C(C)=C/C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000929367390 638921510 /nfs/dbraw/zinc/92/15/10/638921510.db2.gz LBKMPJPWXMAALA-NTEUORMPSA-N 1 1 270.376 3.115 20 30 CGEDMO C=C[C@@H](CC)CC(=O)Nc1nc2c(s1)C[N@H+](CC)CC2 ZINC000929483395 638927652 /nfs/dbraw/zinc/92/76/52/638927652.db2.gz HPFYHQXOFXCRCI-NSHDSACASA-N 1 1 293.436 3.062 20 30 CGEDMO C=C[C@@H](CC)CC(=O)Nc1nc2c(s1)C[N@@H+](CC)CC2 ZINC000929483395 638927653 /nfs/dbraw/zinc/92/76/53/638927653.db2.gz HPFYHQXOFXCRCI-NSHDSACASA-N 1 1 293.436 3.062 20 30 CGEDMO N#CC1(CCCC[N@@H+]2CCCC[C@H]2CCO)CCC1 ZINC000929519302 638930199 /nfs/dbraw/zinc/93/01/99/638930199.db2.gz IMAMYOWLVKDWBL-HNNXBMFYSA-N 1 1 264.413 3.087 20 30 CGEDMO C=C1CC[NH+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC000929602826 638933535 /nfs/dbraw/zinc/93/35/35/638933535.db2.gz DEAZJJQKZOBMHT-NWDGAFQWSA-N 1 1 263.303 3.138 20 30 CGEDMO CCOC[C@@H]1CCC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000929644962 638936983 /nfs/dbraw/zinc/93/69/83/638936983.db2.gz YRZXLTWJRBCSGT-UYSNPLJNSA-N 1 1 264.413 3.065 20 30 CGEDMO CCCN1CCC([N@H+](C)CC2CCC(C#N)CC2)CC1 ZINC000929776942 638949920 /nfs/dbraw/zinc/94/99/20/638949920.db2.gz BXKQWITZXZAZFF-UHFFFAOYSA-N 1 1 277.456 3.123 20 30 CGEDMO CCCN1CCC([N@@H+](C)CC2CCC(C#N)CC2)CC1 ZINC000929776942 638949923 /nfs/dbraw/zinc/94/99/23/638949923.db2.gz BXKQWITZXZAZFF-UHFFFAOYSA-N 1 1 277.456 3.123 20 30 CGEDMO C[N@@H+](CCCCC1(C#N)CCC1)CCc1nccs1 ZINC000930086337 638973095 /nfs/dbraw/zinc/97/30/95/638973095.db2.gz JVHZQFUJLKNTAI-UHFFFAOYSA-N 1 1 277.437 3.482 20 30 CGEDMO N#CC1CCC(C[N@@H+](Cc2cccnc2)C2CC2)CC1 ZINC000930111844 638975097 /nfs/dbraw/zinc/97/50/97/638975097.db2.gz FIQAECGQPWHHLF-UHFFFAOYSA-N 1 1 269.392 3.376 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(C(=O)OC)c2cccnc12 ZINC000930244918 638985569 /nfs/dbraw/zinc/98/55/69/638985569.db2.gz QATBDAIWNFIWTA-UHFFFAOYSA-N 1 1 284.359 3.029 20 30 CGEDMO CSc1ccccc1C[N@H+](C)Cc1cncc(C#N)c1 ZINC000930274342 638987828 /nfs/dbraw/zinc/98/78/28/638987828.db2.gz FHYVFLGHAPTJET-UHFFFAOYSA-N 1 1 283.400 3.307 20 30 CGEDMO CSc1ccccc1C[N@@H+](C)Cc1cncc(C#N)c1 ZINC000930274342 638987831 /nfs/dbraw/zinc/98/78/31/638987831.db2.gz FHYVFLGHAPTJET-UHFFFAOYSA-N 1 1 283.400 3.307 20 30 CGEDMO N#CC1(CCCC[N@@H+]2CCCCC[C@@H]2CCO)CCC1 ZINC000930369492 638993480 /nfs/dbraw/zinc/99/34/80/638993480.db2.gz CKDIPGNILLZTSN-MRXNPFEDSA-N 1 1 278.440 3.478 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1C[C@@H](N2CCCC2)C[C@H]1C ZINC000930455889 639001506 /nfs/dbraw/zinc/00/15/06/639001506.db2.gz BRQZRRVJJOTGBT-AEFFLSMTSA-N 1 1 297.446 3.234 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@@H](N2CCCC2)C[C@H]1C ZINC000930455889 639001509 /nfs/dbraw/zinc/00/15/09/639001509.db2.gz BRQZRRVJJOTGBT-AEFFLSMTSA-N 1 1 297.446 3.234 20 30 CGEDMO Cc1noc([C@@H]2CCC[N@H+]2CCCCC2(C#N)CCC2)n1 ZINC000930479801 639007684 /nfs/dbraw/zinc/00/76/84/639007684.db2.gz IQFBPLQADXPSTK-AWEZNQCLSA-N 1 1 288.395 3.379 20 30 CGEDMO C[C@@H]1CN(C2CCC2)CC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000930557559 639025405 /nfs/dbraw/zinc/02/54/05/639025405.db2.gz HBSTVIFOALFSFQ-GTPINHCMSA-N 1 1 289.467 3.123 20 30 CGEDMO C[C@H]1CN(CC2CCC(C#N)CC2)CC[N@@H+](C2CCC2)C1 ZINC000930557559 639025408 /nfs/dbraw/zinc/02/54/08/639025408.db2.gz HBSTVIFOALFSFQ-GTPINHCMSA-N 1 1 289.467 3.123 20 30 CGEDMO C[C@H]1CN(CC2CCC(C#N)CC2)CC[N@H+](C2CCC2)C1 ZINC000930557559 639025411 /nfs/dbraw/zinc/02/54/11/639025411.db2.gz HBSTVIFOALFSFQ-GTPINHCMSA-N 1 1 289.467 3.123 20 30 CGEDMO CC(C)[C@@]1(CO)CCC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000930584663 639031683 /nfs/dbraw/zinc/03/16/83/639031683.db2.gz OIMCCJCQRLDTIY-JCYILVPMSA-N 1 1 278.440 3.047 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2c(C)cc(C#N)cc2C)C[C@@H]1C ZINC000930638410 639042871 /nfs/dbraw/zinc/04/28/71/639042871.db2.gz NWOCEDNAUBQLIW-WMLDXEAASA-N 1 1 272.392 3.032 20 30 CGEDMO CC1(C)C[C@@H](O)CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000930649321 639045424 /nfs/dbraw/zinc/04/54/24/639045424.db2.gz ABMFRHCJPROYEG-HNNXBMFYSA-N 1 1 292.810 3.195 20 30 CGEDMO CO[C@H]1C[C@H]([N@@H+](C)CC2CCC(C#N)CC2)C12CCC2 ZINC000930652821 639046754 /nfs/dbraw/zinc/04/67/54/639046754.db2.gz PJMIFGVRMIZXOV-CKUJCDMFSA-N 1 1 276.424 3.206 20 30 CGEDMO CC(C)O[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000930812091 639070189 /nfs/dbraw/zinc/07/01/89/639070189.db2.gz TVLUIMBLSPXJMI-OAHLLOKOSA-N 1 1 278.783 3.211 20 30 CGEDMO CC[C@H]1C[N@@H+](CCCCC2(C#N)CCC2)[C@@H](C)CO1 ZINC000930851903 639075875 /nfs/dbraw/zinc/07/58/75/639075875.db2.gz KQYMJTYUFUVHBQ-GJZGRUSLSA-N 1 1 264.413 3.350 20 30 CGEDMO CC[N@@H+](CC1CCC(C#N)CC1)[C@@H](C)C(=O)OC(C)(C)C ZINC000930920325 639086658 /nfs/dbraw/zinc/08/66/58/639086658.db2.gz XEOZLFPHZXYKRF-NFOMZHRRSA-N 1 1 294.439 3.368 20 30 CGEDMO CC1(C)C[N@@H+](Cc2cncc(C#N)c2)CCc2ccccc21 ZINC000930927949 639087265 /nfs/dbraw/zinc/08/72/65/639087265.db2.gz NEKFRISAXAQDPE-UHFFFAOYSA-N 1 1 291.398 3.289 20 30 CGEDMO C=CC[N@@H+](Cc1cc(Cl)cc(C#N)c1)[C@H](C)COC ZINC000930932907 639088054 /nfs/dbraw/zinc/08/80/54/639088054.db2.gz OAMADWJPBITSNV-GFCCVEGCSA-N 1 1 278.783 3.235 20 30 CGEDMO C=CC[N@@H+](C[C@H]1CC[C@H](C(F)(F)F)O1)C(C)(C)C ZINC000931017214 639098915 /nfs/dbraw/zinc/09/89/15/639098915.db2.gz NXUIATCYEAGMGQ-GHMZBOCLSA-N 1 1 265.319 3.383 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000931164621 639120734 /nfs/dbraw/zinc/12/07/34/639120734.db2.gz WELGCNPBFZBGMS-FRRDWIJNSA-N 1 1 277.330 3.384 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CCC1CN(C(=O)OC(C)(C)C)C1 ZINC000859282654 639124037 /nfs/dbraw/zinc/12/40/37/639124037.db2.gz PCHMGPLAGFCCAD-HNNXBMFYSA-N 1 1 294.439 3.284 20 30 CGEDMO C[C@@H]1CC(F)(F)CC[N@H+]1CC1CCC(C#N)CC1 ZINC000931253971 639126761 /nfs/dbraw/zinc/12/67/61/639126761.db2.gz DLRDOMGGPZDROQ-PNESKVBLSA-N 1 1 256.340 3.436 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2coc(-c3ccccc3F)n2)C1 ZINC000859336413 639130624 /nfs/dbraw/zinc/13/06/24/639130624.db2.gz OUPOGFZORKVLTL-CYBMUJFWSA-N 1 1 284.334 3.326 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2coc(-c3ccccc3F)n2)C1 ZINC000859336413 639130630 /nfs/dbraw/zinc/13/06/30/639130630.db2.gz OUPOGFZORKVLTL-CYBMUJFWSA-N 1 1 284.334 3.326 20 30 CGEDMO C=CC[C@H]1CC[N@H+](C[C@@H](O)c2ccc(F)cc2C)C1 ZINC000859444688 639141966 /nfs/dbraw/zinc/14/19/66/639141966.db2.gz WQLHZHQKKLVYRB-XJKSGUPXSA-N 1 1 263.356 3.066 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](CF)C2)c1 ZINC000931685420 639189319 /nfs/dbraw/zinc/18/93/19/639189319.db2.gz DADFVRZCXCLKCD-SNVBAGLBSA-N 1 1 252.720 3.003 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931913329 639228041 /nfs/dbraw/zinc/22/80/41/639228041.db2.gz MBNSKJASOVLVCW-NSHDSACASA-N 1 1 278.293 3.293 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931913923 639229444 /nfs/dbraw/zinc/22/94/44/639229444.db2.gz QLMPVLITSRVTLA-NXEZZACHSA-N 1 1 264.266 3.045 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](c2noc(C)n2)C1 ZINC000931945301 639240233 /nfs/dbraw/zinc/24/02/33/639240233.db2.gz CIUIEACDDONXHP-CYBMUJFWSA-N 1 1 251.374 3.138 20 30 CGEDMO C=CC[C@H](C)[N@H+]1Cc2ccccc2OC2(CCOCC2)C1 ZINC000932037954 639253334 /nfs/dbraw/zinc/25/33/34/639253334.db2.gz SGAYKDRQKHFTCL-HNNXBMFYSA-N 1 1 287.403 3.395 20 30 CGEDMO CCC(C#N)(CC)C(=O)OC[C@H]1CCCC[N@H+]1C(C)C ZINC000860200662 639308160 /nfs/dbraw/zinc/30/81/60/639308160.db2.gz YCLBTEORCKIIHQ-CQSZACIVSA-N 1 1 280.412 3.122 20 30 CGEDMO C#CC[N@H+](CCC(=O)Nc1ccccc1Cl)C(C)C ZINC000932391725 639324637 /nfs/dbraw/zinc/32/46/37/639324637.db2.gz MGTTXPMEQMBYTF-UHFFFAOYSA-N 1 1 278.783 3.012 20 30 CGEDMO C#CC[N@@H+](Cc1cnc(Cl)c(F)c1)C(C)(C)C ZINC000932462335 639338007 /nfs/dbraw/zinc/33/80/07/639338007.db2.gz VSJBMGBRDDOQBK-UHFFFAOYSA-N 1 1 254.736 3.108 20 30 CGEDMO COc1ccc([C@H](C)[NH2+]C[C@H](C#N)CCC#N)cc1C ZINC000932577580 639359906 /nfs/dbraw/zinc/35/99/06/639359906.db2.gz NNQYZHUHQVHVPD-KBPBESRZSA-N 1 1 271.364 3.098 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1C[C@@H](c2ccccc2)CC1(C)C ZINC000932906273 639398049 /nfs/dbraw/zinc/39/80/49/639398049.db2.gz VVFWFTGYNUYXJM-HOCLYGCPSA-N 1 1 272.392 3.183 20 30 CGEDMO CC1(C)C[C@H](c2ccccc2)C[N@H+]1CCOCCC#N ZINC000932906239 639398776 /nfs/dbraw/zinc/39/87/76/639398776.db2.gz VNMPLZHXOUVHPI-INIZCTEOSA-N 1 1 272.392 3.185 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](C3CCOCC3)C2)c1 ZINC000933083819 639414814 /nfs/dbraw/zinc/41/48/14/639414814.db2.gz ZERDXBFLNPUXOM-SFHVURJKSA-N 1 1 284.403 3.197 20 30 CGEDMO C=CC1(CC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)CCCCC1 ZINC000933433508 639449956 /nfs/dbraw/zinc/44/99/56/639449956.db2.gz DVDASONOPMUTEB-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO CC/C=C/CC[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933627705 639470473 /nfs/dbraw/zinc/47/04/73/639470473.db2.gz HPZDTFLRPVMGEV-REMYHPOOSA-N 1 1 270.376 3.288 20 30 CGEDMO CC/C=C/CC[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933627705 639470478 /nfs/dbraw/zinc/47/04/78/639470478.db2.gz HPZDTFLRPVMGEV-REMYHPOOSA-N 1 1 270.376 3.288 20 30 CGEDMO CC(C)C[C@H](C)[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933629233 639472389 /nfs/dbraw/zinc/47/23/89/639472389.db2.gz NYWMOENIDHHVLA-YOEHRIQHSA-N 1 1 272.392 3.366 20 30 CGEDMO C=CCCCC[N@@H+]1CCCSC[C@@H]1c1cnn(C)c1 ZINC000933975572 639516789 /nfs/dbraw/zinc/51/67/89/639516789.db2.gz IKLGHPFKEDCPMU-OAHLLOKOSA-N 1 1 279.453 3.256 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000934472052 639616046 /nfs/dbraw/zinc/61/60/46/639616046.db2.gz YITLEWDSWWVNHG-UONOGXRCSA-N 1 1 285.309 3.389 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1cc(C(C)=O)ccc1OCC ZINC000934472862 639616873 /nfs/dbraw/zinc/61/68/73/639616873.db2.gz QXDPCDLDMGTJEX-INIZCTEOSA-N 1 1 273.376 3.438 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1cc(C(C)=O)ccc1OCC ZINC000934472862 639616877 /nfs/dbraw/zinc/61/68/77/639616877.db2.gz QXDPCDLDMGTJEX-INIZCTEOSA-N 1 1 273.376 3.438 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCOC[C@]1(C)C1CC1 ZINC000934479766 639618331 /nfs/dbraw/zinc/61/83/31/639618331.db2.gz LDLGELOXVLKUCY-LJQANCHMSA-N 1 1 298.430 3.489 20 30 CGEDMO C=CCCC[N@@H+](CC)[C@@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000934647715 639650517 /nfs/dbraw/zinc/65/05/17/639650517.db2.gz SEPWJUURYWFFHG-MRXNPFEDSA-N 1 1 286.375 3.060 20 30 CGEDMO C=CCCC[N@H+](CC)[C@@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000934647715 639650523 /nfs/dbraw/zinc/65/05/23/639650523.db2.gz SEPWJUURYWFFHG-MRXNPFEDSA-N 1 1 286.375 3.060 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000934886051 639703719 /nfs/dbraw/zinc/70/37/19/639703719.db2.gz CINXXWQTOJBLCG-CXAGYDPISA-N 1 1 299.418 3.324 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000935027701 639734932 /nfs/dbraw/zinc/73/49/32/639734932.db2.gz QGHADOSAKBJVQF-SJORKVTESA-N 1 1 299.418 3.020 20 30 CGEDMO Cc1ccccc1CO[NH+]=C(N)CCc1ccccc1 ZINC000049322495 640089365 /nfs/dbraw/zinc/08/93/65/640089365.db2.gz HBYVCVIWVZFDMX-UHFFFAOYSA-N 1 1 268.360 3.417 20 30 CGEDMO C[C@@H]1CC[C@H](C)C[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC000088704528 640621519 /nfs/dbraw/zinc/62/15/19/640621519.db2.gz WGHQWSLUOVBVMP-LSDHHAIUSA-N 1 1 272.392 3.448 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](CC)C2)cc1 ZINC000245566465 640627367 /nfs/dbraw/zinc/62/73/67/640627367.db2.gz SUIHQASRABRZHC-WBVHZDCISA-N 1 1 287.403 3.088 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](CC)C2)cc1 ZINC000245566465 640627373 /nfs/dbraw/zinc/62/73/73/640627373.db2.gz SUIHQASRABRZHC-WBVHZDCISA-N 1 1 287.403 3.088 20 30 CGEDMO Cc1noc(C)c1C[N@@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000091812605 640721906 /nfs/dbraw/zinc/72/19/06/640721906.db2.gz UCHFQJQLUIAWJK-LBPRGKRZSA-N 1 1 299.374 3.214 20 30 CGEDMO Cc1noc(C)c1C[N@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000091812605 640721910 /nfs/dbraw/zinc/72/19/10/640721910.db2.gz UCHFQJQLUIAWJK-LBPRGKRZSA-N 1 1 299.374 3.214 20 30 CGEDMO COc1ccccc1OCC[N@@H+](C)CC(C)(C)CCC#N ZINC000091900343 640726507 /nfs/dbraw/zinc/72/65/07/640726507.db2.gz FVENYIJBJFODHU-UHFFFAOYSA-N 1 1 290.407 3.336 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)cc1 ZINC000093661047 640777662 /nfs/dbraw/zinc/77/76/62/640777662.db2.gz QOXJRMNQRVZUDN-WQVCFCJDSA-N 1 1 270.376 3.065 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2cc(C)cs2)C1 ZINC001007299878 640940405 /nfs/dbraw/zinc/94/04/05/640940405.db2.gz RYPKNIVFFKOWFC-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001007327176 640940716 /nfs/dbraw/zinc/94/07/16/640940716.db2.gz LJNSRHULZZCYCT-CVEARBPZSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](NC(=O)c2scc(C)c2Cl)C1 ZINC001007405459 640941109 /nfs/dbraw/zinc/94/11/09/640941109.db2.gz CTSBCKHGMXXNJN-NSHDSACASA-N 1 1 298.839 3.090 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2scc(C)c2Cl)C1 ZINC001007405459 640941115 /nfs/dbraw/zinc/94/11/15/640941115.db2.gz CTSBCKHGMXXNJN-NSHDSACASA-N 1 1 298.839 3.090 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2sc(C)cc2C)C1 ZINC001007427538 640942352 /nfs/dbraw/zinc/94/23/52/640942352.db2.gz JKKILDHABDYGEF-CQSZACIVSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2C(C)C)C1 ZINC001007458700 640942504 /nfs/dbraw/zinc/94/25/04/640942504.db2.gz HRGHNVJFYXBSGB-HNNXBMFYSA-N 1 1 286.419 3.190 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC)s2)C1 ZINC001007844506 640945763 /nfs/dbraw/zinc/94/57/63/640945763.db2.gz KWGOHJSYMGUHQQ-CYBMUJFWSA-N 1 1 292.448 3.081 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CC)C1 ZINC001008343266 640949588 /nfs/dbraw/zinc/94/95/88/640949588.db2.gz MRKXVKWMUYGXLP-INIZCTEOSA-N 1 1 286.419 3.019 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C2CCC(=C)CC2)C1 ZINC001008423231 640951204 /nfs/dbraw/zinc/95/12/04/640951204.db2.gz QFSDWQHCJBPHGV-KRWDZBQOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C2CCCCC2)C1 ZINC001008809254 640955089 /nfs/dbraw/zinc/95/50/89/640955089.db2.gz YGVSSZYCHAJSMS-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001009284491 640957228 /nfs/dbraw/zinc/95/72/28/640957228.db2.gz XMJKYURFHGQOTB-BRWVUGGUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)CCC=C3)C1 ZINC001009248131 640957441 /nfs/dbraw/zinc/95/74/41/640957441.db2.gz SCTFXOHTLUYJFE-SFHVURJKSA-N 1 1 296.414 3.026 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001009659093 640961541 /nfs/dbraw/zinc/96/15/41/640961541.db2.gz KMWZSZDJUSTBJX-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001014497918 640972227 /nfs/dbraw/zinc/97/22/27/640972227.db2.gz XRDYQTHQOLRORI-HRCADAONSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2(C)CCCCC2)C1 ZINC001015649548 640983212 /nfs/dbraw/zinc/98/32/12/640983212.db2.gz AMHASZHYVOGPQK-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(Cl)ccc2C)C1 ZINC001015868287 640986724 /nfs/dbraw/zinc/98/67/24/640986724.db2.gz UHLVVRSSFLBKQT-CQSZACIVSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2CCC(C)(C)CC2)C1 ZINC001016359174 640995670 /nfs/dbraw/zinc/99/56/70/640995670.db2.gz FEKRRMHBJGKMCP-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C(C)(C)C ZINC001017664530 641015035 /nfs/dbraw/zinc/01/50/35/641015035.db2.gz IMZPVUGKSXATKL-HRCADAONSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]1CCC ZINC001017691005 641015915 /nfs/dbraw/zinc/01/59/15/641015915.db2.gz SGEIWIPWJQGUTB-NXOAAHMSSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]1CCC ZINC001017691005 641015921 /nfs/dbraw/zinc/01/59/21/641015921.db2.gz SGEIWIPWJQGUTB-NXOAAHMSSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)CC(C)(C)C ZINC001155418239 805580029 /nfs/dbraw/zinc/58/00/29/805580029.db2.gz CTEKPKRSHLWJGI-LSDHHAIUSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)CC(C)C ZINC001155484487 805585632 /nfs/dbraw/zinc/58/56/32/805585632.db2.gz IMPHSKPNGCMISS-CQSZACIVSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)C1CCCC1 ZINC001156306957 805674741 /nfs/dbraw/zinc/67/47/41/805674741.db2.gz XZYYAPZXQNWILF-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)C[C@H](CC)C(C)C ZINC001156466822 805699662 /nfs/dbraw/zinc/69/96/62/805699662.db2.gz WQEMCLXDMRZAMA-CVEARBPZSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1cccc(C)c1C ZINC001156694102 805726513 /nfs/dbraw/zinc/72/65/13/805726513.db2.gz DFMFNLKLHUSODV-OAHLLOKOSA-N 1 1 288.435 3.320 20 30 CGEDMO COc1cccc(F)c1CNc1ccc(CC#N)c(C)[nH+]1 ZINC001156750423 805732069 /nfs/dbraw/zinc/73/20/69/805732069.db2.gz VWSYMXUICMNXAF-UHFFFAOYSA-N 1 1 285.322 3.216 20 30 CGEDMO N#Cc1cc(-c2ccc(C[NH+]3CCOCC3)cc2)ccc1F ZINC001250635680 805740974 /nfs/dbraw/zinc/74/09/74/805740974.db2.gz AGQURZKRHKXQMR-UHFFFAOYSA-N 1 1 296.345 3.197 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)C1CCCC1 ZINC001157416730 805809395 /nfs/dbraw/zinc/80/93/95/805809395.db2.gz NDXQJULKZTZYDF-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CC1CCCC1 ZINC001157476669 805819545 /nfs/dbraw/zinc/81/95/45/805819545.db2.gz HNSKMKLPXSQVSD-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC1CCCCC1 ZINC001157486743 805820932 /nfs/dbraw/zinc/82/09/32/805820932.db2.gz ARSPKKSBTCACQY-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)C1CC1 ZINC001157761825 805863809 /nfs/dbraw/zinc/86/38/09/805863809.db2.gz DIHRVEKWBHEAQU-UKRRQHHQSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)C1CC1 ZINC001157761825 805863817 /nfs/dbraw/zinc/86/38/17/805863817.db2.gz DIHRVEKWBHEAQU-UKRRQHHQSA-N 1 1 298.858 3.098 20 30 CGEDMO N#Cc1c[nH]c2cc[nH+]c(N[C@H]3CCNc4ccccc43)c12 ZINC001157838053 805883504 /nfs/dbraw/zinc/88/35/04/805883504.db2.gz VLPUFPNHGVRHBK-AWEZNQCLSA-N 1 1 289.342 3.403 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H](C)CC ZINC001157892867 805900514 /nfs/dbraw/zinc/90/05/14/805900514.db2.gz RDVNTEZVSLQESU-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)/C=C(\C)CC ZINC001157924935 805905200 /nfs/dbraw/zinc/90/52/00/805905200.db2.gz IAGXIQCPHOUDLN-RBFDBLARSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CC(C)(C)C=C ZINC001158005096 805912597 /nfs/dbraw/zinc/91/25/97/805912597.db2.gz COFPXTIYBJSWFT-MRXNPFEDSA-N 1 1 292.467 3.478 20 30 CGEDMO Cc1ccc([C@H](C)Nc2[nH+]ccc3[nH]cc(C#N)c32)nc1 ZINC001158022185 805916926 /nfs/dbraw/zinc/91/69/26/805916926.db2.gz YGSZKXTYDPEQQH-NSHDSACASA-N 1 1 277.331 3.311 20 30 CGEDMO C=CCC[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001158173708 805925756 /nfs/dbraw/zinc/92/57/56/805925756.db2.gz UDVOMHAJJYTQFY-HZPDHXFCSA-N 1 1 278.440 3.064 20 30 CGEDMO C#Cc1ccc(C(=O)N2CCCC[C@@H]2C[N@H+](C)CCC)cc1 ZINC001158310623 805937006 /nfs/dbraw/zinc/93/70/06/805937006.db2.gz CQAGTEKZUKCUTN-GOSISDBHSA-N 1 1 298.430 3.004 20 30 CGEDMO Cc1ccc(CCCNc2[nH+]ccc3[nH]cc(C#N)c32)cn1 ZINC001158376307 805947607 /nfs/dbraw/zinc/94/76/07/805947607.db2.gz NWFRPVPLKJJIHQ-UHFFFAOYSA-N 1 1 291.358 3.183 20 30 CGEDMO CCCCCCCC[C@@H](O)C[NH2+]Cc1nc(CC)co1 ZINC001252119552 806006750 /nfs/dbraw/zinc/00/67/50/806006750.db2.gz ABOMULQZXLZJEQ-OAHLLOKOSA-N 1 1 282.428 3.438 20 30 CGEDMO CCCCCCCC[C@@H](O)C[NH+]1CCN(C2CCC2)CC1 ZINC001252121811 806008564 /nfs/dbraw/zinc/00/85/64/806008564.db2.gz MGHNMSKLKIBZEW-GOSISDBHSA-N 1 1 296.499 3.268 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@H]1CC(=O)OC ZINC001252129845 806015653 /nfs/dbraw/zinc/01/56/53/806015653.db2.gz FPZHBUCMAIYRPG-HOTGVXAUSA-N 1 1 299.455 3.125 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@H](C#N)C1 ZINC001252129690 806016611 /nfs/dbraw/zinc/01/66/11/806016611.db2.gz BHKRRGFJMGOETK-JKSUJKDBSA-N 1 1 266.429 3.333 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@@H](C#N)C1 ZINC001252129690 806016622 /nfs/dbraw/zinc/01/66/22/806016622.db2.gz BHKRRGFJMGOETK-JKSUJKDBSA-N 1 1 266.429 3.333 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+](C)[C@@H]1CCCOC1 ZINC001252132280 806018670 /nfs/dbraw/zinc/01/86/70/806018670.db2.gz DLNMKRWXVGYDHB-HZPDHXFCSA-N 1 1 271.445 3.209 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CC[C@](C)(C#N)C1 ZINC001252134130 806020934 /nfs/dbraw/zinc/02/09/34/806020934.db2.gz VNUKKXDGOKXBMK-JKSUJKDBSA-N 1 1 266.429 3.333 20 30 CGEDMO CCCCCCCC[C@@H](O)C[NH2+][C@H](C)c1ncc(F)cn1 ZINC001252140268 806025164 /nfs/dbraw/zinc/02/51/64/806025164.db2.gz OIGYQRDSKQXGRT-UKRRQHHQSA-N 1 1 297.418 3.378 20 30 CGEDMO CCCCCCCC[C@H](O)C[NH2+][C@H]1CCN(C)C[C@@H]1C ZINC001252141958 806025569 /nfs/dbraw/zinc/02/55/69/806025569.db2.gz QTROEQFTWMQMIB-ULQDDVLXSA-N 1 1 284.488 3.028 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC001252557078 806062895 /nfs/dbraw/zinc/06/28/95/806062895.db2.gz HJCNUKIVHVEXCY-AWEZNQCLSA-N 1 1 285.309 3.001 20 30 CGEDMO C=C[C@](C)(O)C[N@H+](C)[C@H](C)c1cccc(Br)c1 ZINC001252556501 806063230 /nfs/dbraw/zinc/06/32/30/806063230.db2.gz HLQCFCRQIAHVPR-RISCZKNCSA-N 1 1 298.224 3.379 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001252561372 806066138 /nfs/dbraw/zinc/06/61/38/806066138.db2.gz ZVRMZJFWNSEPDW-ZFWWWQNUSA-N 1 1 265.784 3.066 20 30 CGEDMO C=C[C@](C)(O)C[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001252560432 806066634 /nfs/dbraw/zinc/06/66/34/806066634.db2.gz RWFPVCLGUPBVIK-FZMZJTMJSA-N 1 1 253.773 3.270 20 30 CGEDMO C=CCC[C@H](O)CNc1cc[nH+]c2ccc(Cl)cc12 ZINC001252587467 806077212 /nfs/dbraw/zinc/07/72/12/806077212.db2.gz DRPXMSKODWLBMZ-LBPRGKRZSA-N 1 1 276.767 3.049 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCSC[C@H]1c1ccc(F)cc1 ZINC001252599811 806081795 /nfs/dbraw/zinc/08/17/95/806081795.db2.gz KIRLMTCKSCMFIQ-CVEARBPZSA-N 1 1 295.423 3.243 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](CCC=C)Cc1ccccc1 ZINC001252599764 806081201 /nfs/dbraw/zinc/08/12/01/806081201.db2.gz IJXRVYZQOOAQDN-QGZVFWFLSA-N 1 1 259.393 3.392 20 30 CGEDMO C(#Cc1ccccc1)CNc1ccc2c([nH+]1)CCCC2 ZINC001159373025 806089574 /nfs/dbraw/zinc/08/95/74/806089574.db2.gz HQTQVJBMZHOLRD-UHFFFAOYSA-N 1 1 262.356 3.424 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)/C=C(/C)C2CC2)CC1 ZINC001159446119 806103941 /nfs/dbraw/zinc/10/39/41/806103941.db2.gz ZDAFTARDSWVREZ-PFONDFGASA-N 1 1 288.435 3.057 20 30 CGEDMO C=CCCC(=O)NCCC1=CC[N@@H+](CC/C=C/CC)CC1 ZINC001159544392 806119743 /nfs/dbraw/zinc/11/97/43/806119743.db2.gz OQZDOJHVPPJUPD-FNORWQNLSA-N 1 1 290.451 3.447 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[N@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001252986520 806148731 /nfs/dbraw/zinc/14/87/31/806148731.db2.gz VBDHMWBQSMYKOY-ZACQAIPSSA-N 1 1 283.456 3.351 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[N@@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001252986520 806148736 /nfs/dbraw/zinc/14/87/36/806148736.db2.gz VBDHMWBQSMYKOY-ZACQAIPSSA-N 1 1 283.456 3.351 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)/C(C)=C\C)CC1 ZINC001159760107 806166792 /nfs/dbraw/zinc/16/67/92/806166792.db2.gz LFCFUFAGORRCKY-WCSRMQSCSA-N 1 1 276.424 3.057 20 30 CGEDMO Cc1[nH+]c(NCC(F)(F)c2ccccn2)ccc1CC#N ZINC001159794754 806175256 /nfs/dbraw/zinc/17/52/56/806175256.db2.gz XYCPHOYPWSJMLY-UHFFFAOYSA-N 1 1 288.301 3.055 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC2(C)C)CC1 ZINC001159836118 806183967 /nfs/dbraw/zinc/18/39/67/806183967.db2.gz UIXGKDFTRFGTEI-INIZCTEOSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+](CC)CCCC(=O)OC ZINC001253234195 806188518 /nfs/dbraw/zinc/18/85/18/806188518.db2.gz WGAPSSBYVIEMHE-INIZCTEOSA-N 1 1 299.455 3.149 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001253234850 806188552 /nfs/dbraw/zinc/18/85/52/806188552.db2.gz GDKUDPFQDZGWNB-YHUYYLMFSA-N 1 1 269.404 3.164 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCC2(CC2)C1 ZINC001253235776 806188080 /nfs/dbraw/zinc/18/80/80/806188080.db2.gz NWNVHLLCCBILAX-OAHLLOKOSA-N 1 1 251.414 3.360 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001253236334 806188180 /nfs/dbraw/zinc/18/81/80/806188180.db2.gz SBSYEVYWJPQKIJ-KFWWJZLASA-N 1 1 287.394 3.461 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCC2(C1)CCOCC2 ZINC001253239811 806190229 /nfs/dbraw/zinc/19/02/29/806190229.db2.gz SXAUECZEOXPAGU-KRWDZBQOSA-N 1 1 295.467 3.376 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+](C)CCc1ccncc1 ZINC001253239649 806190359 /nfs/dbraw/zinc/19/03/59/806190359.db2.gz PPSRSUTUIDCCSA-GOSISDBHSA-N 1 1 290.451 3.443 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CC[C@@H](N(CC)CC)C1 ZINC001253240265 806190471 /nfs/dbraw/zinc/19/04/71/806190471.db2.gz IJSXYZAEMRHVCE-MSOLQXFVSA-N 1 1 296.499 3.290 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@@H](N(CC)CC)C1 ZINC001253240265 806190474 /nfs/dbraw/zinc/19/04/74/806190474.db2.gz IJSXYZAEMRHVCE-MSOLQXFVSA-N 1 1 296.499 3.290 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C ZINC001253240406 806192393 /nfs/dbraw/zinc/19/23/93/806192393.db2.gz KPXCPKBHOAQJLH-FGTMMUONSA-N 1 1 294.483 3.042 20 30 CGEDMO C=CCCCCCC[C@@H](O)CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001253240406 806192396 /nfs/dbraw/zinc/19/23/96/806192396.db2.gz KPXCPKBHOAQJLH-FGTMMUONSA-N 1 1 294.483 3.042 20 30 CGEDMO C=CCCCCCC[C@@H](O)CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001253240406 806192400 /nfs/dbraw/zinc/19/24/00/806192400.db2.gz KPXCPKBHOAQJLH-FGTMMUONSA-N 1 1 294.483 3.042 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+](C)Cc1cnc(C)nc1 ZINC001253241301 806192601 /nfs/dbraw/zinc/19/26/01/806192601.db2.gz TXYZNDGSUJPPGM-QGZVFWFLSA-N 1 1 291.439 3.104 20 30 CGEDMO C=C[C@@H](O)C[N@H+](CC)Cc1ccc(C(F)(F)F)cc1 ZINC001253586723 806264891 /nfs/dbraw/zinc/26/48/91/806264891.db2.gz QROINYHMSFAQCS-CYBMUJFWSA-N 1 1 273.298 3.074 20 30 CGEDMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1ncc(C#N)cc1Cl)C2 ZINC001160465488 806275426 /nfs/dbraw/zinc/27/54/26/806275426.db2.gz ILNFBYSPBBMQSP-XYYAHUGASA-N 1 1 290.798 3.034 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)CC(C)=C(C)C)CC1 ZINC001160882241 806315160 /nfs/dbraw/zinc/31/51/60/806315160.db2.gz HYXVXDCVGMJMQC-UHFFFAOYSA-N 1 1 276.424 3.057 20 30 CGEDMO C=CC(C)(C)C(=O)NCCC1=CC[N@@H+](C/C=C\Cl)CC1 ZINC001160915002 806321975 /nfs/dbraw/zinc/32/19/75/806321975.db2.gz GCMPKRKHAHKQBU-UITAMQMPSA-N 1 1 296.842 3.090 20 30 CGEDMO C=C/C(C)=C\CC(=O)NCCC1=CC[N@@H+](CC(=C)C)CC1 ZINC001160923516 806323630 /nfs/dbraw/zinc/32/36/30/806323630.db2.gz XPORHTKZJAHGIB-SOFYXZRVSA-N 1 1 288.435 3.223 20 30 CGEDMO CCCCCCC[N@@H+]1C[C@@H](O)C[C@H]1c1nnc(CCC)o1 ZINC001253994862 806326717 /nfs/dbraw/zinc/32/67/17/806326717.db2.gz SURFIIMJJGICBS-KBPBESRZSA-N 1 1 295.427 3.100 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](O)C[C@H]1c1nnc(CCC)o1 ZINC001253994862 806326729 /nfs/dbraw/zinc/32/67/29/806326729.db2.gz SURFIIMJJGICBS-KBPBESRZSA-N 1 1 295.427 3.100 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1cc(SCC)ccn1 ZINC001160957670 806328899 /nfs/dbraw/zinc/32/88/99/806328899.db2.gz ONUNQSYIBVWMFX-ZDUSSCGKSA-N 1 1 277.437 3.256 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CCNC(=O)C[C@@H]2C[C@H]2C)CC1 ZINC001161111960 806349699 /nfs/dbraw/zinc/34/96/99/806349699.db2.gz BYSXIBONGSNTSZ-WBVHZDCISA-N 1 1 290.451 3.137 20 30 CGEDMO N#Cc1cc(N[C@H]2CC[N@H+](C3CCC3)C2)nc2ccccc12 ZINC001161177598 806355197 /nfs/dbraw/zinc/35/51/97/806355197.db2.gz UHPDMPAFORMBDZ-AWEZNQCLSA-N 1 1 292.386 3.145 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)[C@H](C)CC(C)(C)C)CC1 ZINC001161390996 806373097 /nfs/dbraw/zinc/37/30/97/806373097.db2.gz NDSZMFZVXYQHAK-OAHLLOKOSA-N 1 1 292.467 3.383 20 30 CGEDMO Cc1nc(NCc2[nH+]cn3ccccc23)c(Cl)cc1C#N ZINC001161686732 806418868 /nfs/dbraw/zinc/41/88/68/806418868.db2.gz GXZWMMFWBBMXJL-UHFFFAOYSA-N 1 1 297.749 3.175 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([NH2+]Cc2c(F)ccc(Cl)c2F)C1 ZINC001254635911 806465442 /nfs/dbraw/zinc/46/54/42/806465442.db2.gz GOEJISXAXXYETE-RKDXNWHRSA-N 1 1 270.710 3.400 20 30 CGEDMO N#C[C@@H]1CC[C@@H](NC2CC[NH+](C[C@H]3CC=CCC3)CC2)C1 ZINC001254654190 806475257 /nfs/dbraw/zinc/47/52/57/806475257.db2.gz SJDKUWALXLUCQS-LZLYRXPVSA-N 1 1 287.451 3.089 20 30 CGEDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1CC[C@H](C#N)C1 ZINC001254669341 806479178 /nfs/dbraw/zinc/47/91/78/806479178.db2.gz REQYMSHMZRBJRA-WMZOPIPTSA-N 1 1 283.419 3.411 20 30 CGEDMO COC(=O)c1cccc([C@@H]2CCC[N@H+]2[C@H]2CC[C@@H](C#N)C2)c1 ZINC001254675481 806483361 /nfs/dbraw/zinc/48/33/61/806483361.db2.gz FTFZNQSIMCECTN-COXVUDFISA-N 1 1 298.386 3.302 20 30 CGEDMO COC(=O)c1ccc([C@@H]2CCC[N@H+]2[C@@H]2CC[C@H](C#N)C2)cc1 ZINC001254678523 806484592 /nfs/dbraw/zinc/48/45/92/806484592.db2.gz FHIXPCYRWSPTFT-XKQJLSEDSA-N 1 1 298.386 3.302 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H]1CC2CCN(CC2)C1 ZINC001254863234 806502943 /nfs/dbraw/zinc/50/29/43/806502943.db2.gz AIDVAVGEFLXFKI-GOSISDBHSA-N 1 1 270.420 3.159 20 30 CGEDMO C=CCN(Cc1ccccc1)[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254863234 806502948 /nfs/dbraw/zinc/50/29/48/806502948.db2.gz AIDVAVGEFLXFKI-GOSISDBHSA-N 1 1 270.420 3.159 20 30 CGEDMO N#C[C@@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001255098440 806544039 /nfs/dbraw/zinc/54/40/39/806544039.db2.gz PUJFJGWXUQJPGS-RTBURBONSA-N 1 1 291.398 3.115 20 30 CGEDMO CC[C@@H](CC#N)[NH2+][C@H](c1ccnc(Cl)c1)C1CC1 ZINC001255156172 806556851 /nfs/dbraw/zinc/55/68/51/806556851.db2.gz FVBBEFVMVHQOAP-JSGCOSHPSA-N 1 1 263.772 3.468 20 30 CGEDMO CC[C@H](CC#N)[NH2+]C1(c2cccc(F)c2)CCOCC1 ZINC001255161796 806559739 /nfs/dbraw/zinc/55/97/39/806559739.db2.gz AEJVSVLIWLLAIC-OAHLLOKOSA-N 1 1 276.355 3.113 20 30 CGEDMO CC[C@H](CC#N)[NH2+]C1(c2cccc(OC)c2)CCC1 ZINC001255160847 806559884 /nfs/dbraw/zinc/55/98/84/806559884.db2.gz QOWXKJZFJZIGHO-CQSZACIVSA-N 1 1 258.365 3.356 20 30 CGEDMO CC[C@H](CC#N)[N@H+](C)CCc1cccc(C(F)(F)F)n1 ZINC001255163816 806561019 /nfs/dbraw/zinc/56/10/19/806561019.db2.gz FESXOMWCUJGMEI-GFCCVEGCSA-N 1 1 285.313 3.267 20 30 CGEDMO CC[C@H](CC#N)[N@@H+](C)CCc1cccc(C(F)(F)F)n1 ZINC001255163816 806561025 /nfs/dbraw/zinc/56/10/25/806561025.db2.gz FESXOMWCUJGMEI-GFCCVEGCSA-N 1 1 285.313 3.267 20 30 CGEDMO CC[C@H](CC#N)[N@H+](CC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001255173682 806567573 /nfs/dbraw/zinc/56/75/73/806567573.db2.gz DBFALKTXSYGITE-KGLIPLIRSA-N 1 1 295.427 3.010 20 30 CGEDMO CC[C@H](CC#N)[N@@H+](CC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001255173682 806567577 /nfs/dbraw/zinc/56/75/77/806567577.db2.gz DBFALKTXSYGITE-KGLIPLIRSA-N 1 1 295.427 3.010 20 30 CGEDMO CC[C@@H](CC#N)[N@@H+](C)CCCc1cccc(OC)c1 ZINC001255175640 806569075 /nfs/dbraw/zinc/56/90/75/806569075.db2.gz SIVJXBIEZPQODA-HNNXBMFYSA-N 1 1 260.381 3.252 20 30 CGEDMO C=CC[C@@](C)([NH2+]C1CCC(C)(C)CC1)C(=O)OC ZINC001255301689 806600560 /nfs/dbraw/zinc/60/05/60/806600560.db2.gz BIBCDIDXQWKFOV-OAHLLOKOSA-N 1 1 253.386 3.053 20 30 CGEDMO N#Cc1ccccc1OCC[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000036809933 798851850 /nfs/dbraw/zinc/85/18/50/798851850.db2.gz MXRIOYFESWPIKX-NVXWUHKLSA-N 1 1 284.403 3.449 20 30 CGEDMO C=C(C)C[N@@H+](CC)C[C@@H](O)c1cccc(Br)c1 ZINC000125732133 799002513 /nfs/dbraw/zinc/00/25/13/799002513.db2.gz KWZXFQFATAPRBF-CQSZACIVSA-N 1 1 298.224 3.381 20 30 CGEDMO N#Cc1cc(F)cc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c1 ZINC000163626056 799083642 /nfs/dbraw/zinc/08/36/42/799083642.db2.gz JVPZQTUAGLUWJV-ZBFHGGJFSA-N 1 1 258.340 3.462 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000370062995 799341843 /nfs/dbraw/zinc/34/18/43/799341843.db2.gz NUHRHPXZQRLFNI-WMLDXEAASA-N 1 1 294.402 3.232 20 30 CGEDMO CCCCCCCCCN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000386566543 799437861 /nfs/dbraw/zinc/43/78/61/799437861.db2.gz WNINDIIZGPTNIV-JKSUJKDBSA-N 1 1 252.446 3.421 20 30 CGEDMO CC[C@H](CC#N)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398038979 799525551 /nfs/dbraw/zinc/52/55/51/799525551.db2.gz RAUIRGBXMFZUHX-KBAYOESNSA-N 1 1 285.435 3.179 20 30 CGEDMO N#CCc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)cc1 ZINC000399130104 799535735 /nfs/dbraw/zinc/53/57/35/799535735.db2.gz WMUSNKDHOXFASE-CYBMUJFWSA-N 1 1 268.282 3.137 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC1(C#N)CCC1 ZINC000450750396 799625474 /nfs/dbraw/zinc/62/54/74/799625474.db2.gz AUYZGCAGEAYKFE-WMZOPIPTSA-N 1 1 297.446 3.180 20 30 CGEDMO CC(C)O[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000701662948 799891219 /nfs/dbraw/zinc/89/12/19/799891219.db2.gz SRZGONHIJDRKRV-AWEZNQCLSA-N 1 1 278.783 3.211 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1cccc(Br)c1O)C(C)(C)C ZINC000702246521 799906964 /nfs/dbraw/zinc/90/69/64/799906964.db2.gz NEBISCFZIOEXSS-GFCCVEGCSA-N 1 1 296.208 3.292 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CC[C@H](c2nccs2)C1 ZINC000710360032 800033073 /nfs/dbraw/zinc/03/30/73/800033073.db2.gz LUXNJGJHTRFTHF-AWEZNQCLSA-N 1 1 269.373 3.004 20 30 CGEDMO C[C@@H](COCc1ccccc1)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000719608954 800246363 /nfs/dbraw/zinc/24/63/63/800246363.db2.gz HXHNCMKJOWNXLL-WBVHZDCISA-N 1 1 272.392 3.075 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)Cc2ccc(OC)c(F)c2)cc1 ZINC000809540201 800442722 /nfs/dbraw/zinc/44/27/22/800442722.db2.gz NBYDJROXBGQHOC-UHFFFAOYSA-N 1 1 283.346 3.448 20 30 CGEDMO C#Cc1ccc(CN2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC000809559222 800446786 /nfs/dbraw/zinc/44/67/86/800446786.db2.gz KEAFSJGBWXYNSJ-UHFFFAOYSA-N 1 1 282.431 3.118 20 30 CGEDMO CCCCCC[N@H+](C)CC(=O)O[C@H]1CCC[C@H](C#N)C1 ZINC000839050040 800494628 /nfs/dbraw/zinc/49/46/28/800494628.db2.gz IPPCSGJVVHIJHP-GJZGRUSLSA-N 1 1 280.412 3.124 20 30 CGEDMO CCCCCC[N@@H+](C)CC(=O)O[C@H]1CCC[C@H](C#N)C1 ZINC000839050040 800494634 /nfs/dbraw/zinc/49/46/34/800494634.db2.gz IPPCSGJVVHIJHP-GJZGRUSLSA-N 1 1 280.412 3.124 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872279948 800537438 /nfs/dbraw/zinc/53/74/38/800537438.db2.gz ICVQAKQIJOJVAF-UKRRQHHQSA-N 1 1 250.386 3.102 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886829851 800546544 /nfs/dbraw/zinc/54/65/44/800546544.db2.gz IASKEFDLQDLIHK-XOKHGSTOSA-N 1 1 270.376 3.120 20 30 CGEDMO C#CC[N@H+](CC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1)C(C)C ZINC000932382667 800661750 /nfs/dbraw/zinc/66/17/50/800661750.db2.gz AXZDDBZPVDDEGQ-BETUJISGSA-N 1 1 289.341 3.268 20 30 CGEDMO C#CC[N@@H+](CC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1)C(C)C ZINC000932382667 800661754 /nfs/dbraw/zinc/66/17/54/800661754.db2.gz AXZDDBZPVDDEGQ-BETUJISGSA-N 1 1 289.341 3.268 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C)cc2)[C@@H]1C ZINC000994292616 800695778 /nfs/dbraw/zinc/69/57/78/800695778.db2.gz YJUWUEHLZPQRRK-DOTOQJQBSA-N 1 1 286.419 3.154 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001023768112 800714661 /nfs/dbraw/zinc/71/46/61/800714661.db2.gz MVBBWIYNJIXXQY-HOTGVXAUSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](CNC(=O)C2CCC=CCC2)C1 ZINC001023753769 800714716 /nfs/dbraw/zinc/71/47/16/800714716.db2.gz NZEDFGFQWDXJRT-MRXNPFEDSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1C ZINC001024307469 800722889 /nfs/dbraw/zinc/72/28/89/800722889.db2.gz WFGNVZONKIKTKX-INIZCTEOSA-N 1 1 286.419 3.155 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC001024320748 800724425 /nfs/dbraw/zinc/72/44/25/800724425.db2.gz WQQNPGFTDGGKQB-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cscc1Cl ZINC001024496914 800729966 /nfs/dbraw/zinc/72/99/66/800729966.db2.gz FXJGTBOVKCRTIV-LLVKDONJSA-N 1 1 298.839 3.172 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CCCF)CC1 ZINC001024634577 800733447 /nfs/dbraw/zinc/73/34/47/800733447.db2.gz VIZNNZWSXARVQI-INIZCTEOSA-N 1 1 296.430 3.063 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC12CCCC2 ZINC001024745179 800735361 /nfs/dbraw/zinc/73/53/61/800735361.db2.gz PRPCIKYNOIJWLH-HOTGVXAUSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)C1CCC(C)(C)CC1 ZINC001024820164 800736987 /nfs/dbraw/zinc/73/69/87/800736987.db2.gz WEGVZVSWJCXTIO-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1coc2ccccc12 ZINC001024825329 800739479 /nfs/dbraw/zinc/73/94/79/800739479.db2.gz FKYVIGHRTQMVIU-AWEZNQCLSA-N 1 1 298.386 3.203 20 30 CGEDMO C=C(C)C[N@H+](CC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001256294963 806856577 /nfs/dbraw/zinc/85/65/77/806856577.db2.gz JXZHISQHVKJCEM-UHFFFAOYSA-N 1 1 282.428 3.284 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC(C)(C)C ZINC001025201224 800748801 /nfs/dbraw/zinc/74/88/01/800748801.db2.gz JYMUJIDFVAJYDK-HZPDHXFCSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)CC ZINC001025258859 800751600 /nfs/dbraw/zinc/75/16/00/800751600.db2.gz KCNGLIWMBZTTAM-CVEARBPZSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2)C1 ZINC001025313489 800754273 /nfs/dbraw/zinc/75/42/73/800754273.db2.gz SIDDKUMSYKCROI-NVXWUHKLSA-N 1 1 286.419 3.093 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001025603970 800764255 /nfs/dbraw/zinc/76/42/55/800764255.db2.gz ZTRPHIYPAZHEIB-QBPKDAKJSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)CC(C)(C)C2CC2)C1 ZINC001027401785 800795176 /nfs/dbraw/zinc/79/51/76/800795176.db2.gz JIAMKXKABMNAGX-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[C@H]([N@H+](C)CC(C)C)C2)CC1 ZINC001027555137 800803664 /nfs/dbraw/zinc/80/36/64/800803664.db2.gz FBWXEHKTIMQWIY-KRWDZBQOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C2CCC(F)CC2)C1 ZINC001027560363 800804034 /nfs/dbraw/zinc/80/40/34/800804034.db2.gz XHHPUQUHPNKXEU-UYSNPLJNSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2cc(Cl)cs2)C1 ZINC001027602950 800805711 /nfs/dbraw/zinc/80/57/11/800805711.db2.gz GTLPXBGQWMRJHG-GFCCVEGCSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)C2(CC)CCCC2)C1 ZINC001027635027 800806649 /nfs/dbraw/zinc/80/66/49/800806649.db2.gz GRFHLVDRLQKXFE-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2cccc(C)c2C)C1 ZINC001027668372 800809595 /nfs/dbraw/zinc/80/95/95/800809595.db2.gz KLOCTZDBPJUWHR-MRXNPFEDSA-N 1 1 286.419 3.026 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C=C)c2ccccc2)C1 ZINC001027690639 800812221 /nfs/dbraw/zinc/81/22/21/800812221.db2.gz HLCCSDBLVLEQHE-ZWKOTPCHSA-N 1 1 298.430 3.065 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001027882461 800823527 /nfs/dbraw/zinc/82/35/27/800823527.db2.gz OTBQKAPDTMIINW-CVEARBPZSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001027891431 800826872 /nfs/dbraw/zinc/82/68/72/800826872.db2.gz XCZDNCZCNJDHHS-ARFHVFGLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001028223239 800835175 /nfs/dbraw/zinc/83/51/75/800835175.db2.gz CZPLIKZTFQURFB-ULQDDVLXSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C)cc1C ZINC001028296754 800841088 /nfs/dbraw/zinc/84/10/88/800841088.db2.gz ASTKYIGESPVYPI-INIZCTEOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@H+]1CC[C@H](CNC(=O)c2ccc(C3CCC3)cc2)C1 ZINC001028579778 800851204 /nfs/dbraw/zinc/85/12/04/800851204.db2.gz IPXZQNOBSPGHLS-OAHLLOKOSA-N 1 1 298.430 3.192 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001029011163 800857885 /nfs/dbraw/zinc/85/78/85/800857885.db2.gz FFVPWBUJODBINY-CVEARBPZSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](CNC(=O)c2coc3ccccc23)C1 ZINC001029020070 800857988 /nfs/dbraw/zinc/85/79/88/800857988.db2.gz NXJXNLDZNWJFNT-AWEZNQCLSA-N 1 1 298.386 3.061 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](CNC(=O)c2sccc2C(C)C)C1 ZINC001029001932 800858044 /nfs/dbraw/zinc/85/80/44/800858044.db2.gz HAUAARWMGKPUMW-CYBMUJFWSA-N 1 1 292.448 3.109 20 30 CGEDMO C=C1CC(C)(C(=O)NC2C[NH+](CCCC3CCCC3)C2)C1 ZINC001030916772 800902012 /nfs/dbraw/zinc/90/20/12/800902012.db2.gz KEHAGFOVXUTFDV-UHFFFAOYSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1=CCCCCC1 ZINC001032371212 800926656 /nfs/dbraw/zinc/92/66/56/800926656.db2.gz ISJKSVNEHQIOAB-IRXDYDNUSA-N 1 1 288.435 3.128 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1CCC ZINC001032511356 800929553 /nfs/dbraw/zinc/92/95/53/800929553.db2.gz METLMNSBLKIBIE-IRXDYDNUSA-N 1 1 298.430 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1CCC ZINC001032511356 800929554 /nfs/dbraw/zinc/92/95/54/800929554.db2.gz METLMNSBLKIBIE-IRXDYDNUSA-N 1 1 298.430 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CC(C)(C)C1 ZINC001032583547 800932739 /nfs/dbraw/zinc/93/27/39/800932739.db2.gz RRJUJDCLRYGBJS-HOTGVXAUSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)CC2CCCCC2)C1 ZINC001032888228 800944016 /nfs/dbraw/zinc/94/40/16/800944016.db2.gz KNFHAQNTXBWNGO-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC=CCCC2)C1 ZINC001033181221 800954434 /nfs/dbraw/zinc/95/44/34/800954434.db2.gz GVRLFNFVIYKGFL-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC2(C)C)C1 ZINC001033338713 800959213 /nfs/dbraw/zinc/95/92/13/800959213.db2.gz IMIGAHZYNSQMDC-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC=CCC2)C1 ZINC001033329601 800959418 /nfs/dbraw/zinc/95/94/18/800959418.db2.gz RLYJTAMFMZDDLD-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2occc2C(C)C)C1 ZINC001033352094 800960353 /nfs/dbraw/zinc/96/03/53/800960353.db2.gz ABHSNHVWUWPEDN-AWEZNQCLSA-N 1 1 290.407 3.125 20 30 CGEDMO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@H+](C[C@@H](F)CC)C2)CC1 ZINC001033389589 800962080 /nfs/dbraw/zinc/96/20/80/800962080.db2.gz RETDPHCPSUFGAF-JKSUJKDBSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@H+](C[C@H](C)CC)C2)CC1 ZINC001033389686 800962946 /nfs/dbraw/zinc/96/29/46/800962946.db2.gz SVHOAVKBKJOWRW-RHSMWYFYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CCC3CC3)C2)CC1 ZINC001033389837 800963154 /nfs/dbraw/zinc/96/31/54/800963154.db2.gz WGPADQQWPUBZMS-KRWDZBQOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001033534128 800968454 /nfs/dbraw/zinc/96/84/54/800968454.db2.gz ZWYZBNKXGCNLIM-BRWVUGGUSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001033601214 800970233 /nfs/dbraw/zinc/97/02/33/800970233.db2.gz LMRGTFIYYBXGBS-ULQDDVLXSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3ccccc3c2)C1 ZINC001033610827 800971279 /nfs/dbraw/zinc/97/12/79/800971279.db2.gz DNMPKQUIIVIFDK-SFHVURJKSA-N 1 1 294.398 3.172 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001033707110 800977204 /nfs/dbraw/zinc/97/72/04/800977204.db2.gz JTTLQVPCKIBWDI-AWEZNQCLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(C=C)cc2)C1 ZINC001033970515 800993135 /nfs/dbraw/zinc/99/31/35/800993135.db2.gz YHEDTYFXWVBPET-SFHVURJKSA-N 1 1 298.430 3.442 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(C)cc2C)C1 ZINC001034033138 800994329 /nfs/dbraw/zinc/99/43/29/800994329.db2.gz BEBCIWMSGZVVOV-INIZCTEOSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2sccc2C)C1 ZINC001034073504 801001059 /nfs/dbraw/zinc/00/10/59/801001059.db2.gz JWWHVOWFVRMYJL-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccccc2C(C)C)C1 ZINC001034234960 801013141 /nfs/dbraw/zinc/01/31/41/801013141.db2.gz PRYANUVMBQMXKQ-MRXNPFEDSA-N 1 1 298.430 3.028 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)C23CCC(CC2)C3)C1 ZINC001034275094 801014235 /nfs/dbraw/zinc/01/42/35/801014235.db2.gz ABMKRMHQYNGGKW-UPTPFMHGSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)C2(C)CCCC2)C1 ZINC001034332971 801018928 /nfs/dbraw/zinc/01/89/28/801018928.db2.gz NDIPHZWTVZWAIK-AWEZNQCLSA-N 1 1 298.858 3.290 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)C2(C)CCCC2)C1 ZINC001034332971 801018931 /nfs/dbraw/zinc/01/89/31/801018931.db2.gz NDIPHZWTVZWAIK-AWEZNQCLSA-N 1 1 298.858 3.290 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@H+](C[C@@H](F)CC)C2)C1 ZINC001034388622 801022694 /nfs/dbraw/zinc/02/26/94/801022694.db2.gz HIJHYOLGKPLFKO-LSDHHAIUSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@H+](C[C@H](C)CC)C2)C1 ZINC001034388688 801023856 /nfs/dbraw/zinc/02/38/56/801023856.db2.gz IVMYONGTFNPINT-GDBMZVCRSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@H+](CC[C@H](C)F)C2)C1 ZINC001034389887 801024861 /nfs/dbraw/zinc/02/48/61/801024861.db2.gz VQUZDFJQOZQXTF-LSDHHAIUSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2sccc2CC)C1 ZINC001034542345 801031333 /nfs/dbraw/zinc/03/13/33/801031333.db2.gz VPHUIPSIXQLWMI-CQSZACIVSA-N 1 1 292.448 3.081 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC2(CC[N@H+](CC(=C)C)C2)CC1 ZINC001035212826 801055299 /nfs/dbraw/zinc/05/52/99/801055299.db2.gz ZUOFYEGAQTXOPV-UHFFFAOYSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2CN(C(=O)C3(C)CCCCC3)CC[C@H]21 ZINC001036811254 801091083 /nfs/dbraw/zinc/09/10/83/801091083.db2.gz NSCYLKHFNZJWRP-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)C(C)(C)C(=C)C)CC[C@H]21 ZINC001036792358 801091778 /nfs/dbraw/zinc/09/17/78/801091778.db2.gz ODCZJNULRAHRMQ-JKSUJKDBSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C1CCC(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CCC)C2)CC1 ZINC001036811277 801092007 /nfs/dbraw/zinc/09/20/07/801092007.db2.gz OJGGYBUGNHOXPU-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc([C@H](C)CC)cc1 ZINC001039057142 801143662 /nfs/dbraw/zinc/14/36/62/801143662.db2.gz QWODXEWRWFONMZ-RHSMWYFYSA-N 1 1 286.419 3.190 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc([C@H](C)CC)cc1 ZINC001039057142 801143667 /nfs/dbraw/zinc/14/36/67/801143667.db2.gz QWODXEWRWFONMZ-RHSMWYFYSA-N 1 1 286.419 3.190 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1cc2cccc(C)c2o1 ZINC001039056620 801144260 /nfs/dbraw/zinc/14/42/60/801144260.db2.gz NCIIBGYGMNKTHA-OAHLLOKOSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1cc2cccc(C)c2o1 ZINC001039056620 801144267 /nfs/dbraw/zinc/14/42/67/801144267.db2.gz NCIIBGYGMNKTHA-OAHLLOKOSA-N 1 1 298.386 3.121 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C(C)C)s1 ZINC001039057567 801144924 /nfs/dbraw/zinc/14/49/24/801144924.db2.gz UUMLONJLPQEKQF-CYBMUJFWSA-N 1 1 292.448 3.252 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C)CC)CC2)C1 ZINC001039105599 801147751 /nfs/dbraw/zinc/14/77/51/801147751.db2.gz XSXNNFKQCDXWTJ-DOTOQJQBSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC2CCC2)C1 ZINC001039195312 801152977 /nfs/dbraw/zinc/15/29/77/801152977.db2.gz FUSOBYILJCKJAI-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC(C)C)C2)C1 ZINC001040047571 801170907 /nfs/dbraw/zinc/17/09/07/801170907.db2.gz VCTICAFZOWHBTJ-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cccc(C)c3)C2)C1 ZINC001040054731 801171640 /nfs/dbraw/zinc/17/16/40/801171640.db2.gz DOEXFCLBPAXFDW-LJQANCHMSA-N 1 1 298.430 3.109 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C)CC)C2)C1 ZINC001040083949 801172777 /nfs/dbraw/zinc/17/27/77/801172777.db2.gz RWLDZANOVVQGNZ-SJLPKXTDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[C@@]2(CC[N@@H+](CC(C)C)C2)C1 ZINC001041638667 801192355 /nfs/dbraw/zinc/19/23/55/801192355.db2.gz OQGHKMUHJSOYDK-QZTJIDSGSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C3CCCC3)C[C@H]21 ZINC001041891978 801195853 /nfs/dbraw/zinc/19/58/53/801195853.db2.gz VLJNRYXMAAUMRJ-DOTOQJQBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)C(C)C)C[C@@H]21 ZINC001042077492 801200765 /nfs/dbraw/zinc/20/07/65/801200765.db2.gz LMCZYJJKMCCEFN-CVEARBPZSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)C(=C)C)C[C@H]21 ZINC001042183591 801201874 /nfs/dbraw/zinc/20/18/74/801201874.db2.gz LTNLOYJFUPVDGJ-JKSUJKDBSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C)c(C)c3)C[C@H]21 ZINC001042339995 801205214 /nfs/dbraw/zinc/20/52/14/801205214.db2.gz DADUWXQEXLYVPS-SJLPKXTDSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001045824818 801287640 /nfs/dbraw/zinc/28/76/40/801287640.db2.gz DLDOCKKZAOUQIA-CVEARBPZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCF ZINC001045840024 801288834 /nfs/dbraw/zinc/28/88/34/801288834.db2.gz BLTAKMLKVLMNAK-VYDXJSESSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC(C)(C)C)C2 ZINC001045912621 801291553 /nfs/dbraw/zinc/29/15/53/801291553.db2.gz HIUITRYINDDABD-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC1CCC1)C2 ZINC001045924183 801293375 /nfs/dbraw/zinc/29/33/75/801293375.db2.gz GWRPEDCNMWDTRP-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001046727091 801320866 /nfs/dbraw/zinc/32/08/66/801320866.db2.gz XQBWCSQALDDQJR-JFIYKMOQSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)c2ccsc2Cl)C1 ZINC001046672991 801322203 /nfs/dbraw/zinc/32/22/03/801322203.db2.gz BTEZKWZDIRVYJU-CQSZACIVSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc3c(c2)CCC=C3)C1 ZINC001046775993 801323363 /nfs/dbraw/zinc/32/33/63/801323363.db2.gz XKCVAPFMPJNUEK-LJQANCHMSA-N 1 1 296.414 3.026 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc3c(c2)CCC=C3)C1 ZINC001046775992 801323923 /nfs/dbraw/zinc/32/39/23/801323923.db2.gz XKCVAPFMPJNUEK-IBGZPJMESA-N 1 1 296.414 3.026 20 30 CGEDMO C[C@H]1CN(c2cc(F)ccc2C#N)CC[N@H+]1C1CCCC1 ZINC001164145830 806901664 /nfs/dbraw/zinc/90/16/64/806901664.db2.gz HQOQFWKCAFDUSL-ZDUSSCGKSA-N 1 1 287.382 3.150 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(C)ccc2C)C1 ZINC001046796668 801325524 /nfs/dbraw/zinc/32/55/24/801325524.db2.gz NMAVBOBWRKCGIN-GOSISDBHSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)c2cccc(Cl)c2)C1 ZINC001046791865 801326181 /nfs/dbraw/zinc/32/61/81/801326181.db2.gz OGUUVCCXXIQLEY-MRXNPFEDSA-N 1 1 292.810 3.110 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccs1 ZINC001049300587 801362268 /nfs/dbraw/zinc/36/22/68/801362268.db2.gz COMVUOOXHSZXND-KBPBESRZSA-N 1 1 290.432 3.003 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(C)c1 ZINC001049310700 801364948 /nfs/dbraw/zinc/36/49/48/801364948.db2.gz FYABSSWWNJCENB-ZWKOTPCHSA-N 1 1 298.430 3.250 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(CC)CC ZINC001049321769 801365595 /nfs/dbraw/zinc/36/55/95/801365595.db2.gz JIXCYTDIYMCASU-LSDHHAIUSA-N 1 1 298.858 3.240 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(CC)CC ZINC001049321769 801365599 /nfs/dbraw/zinc/36/55/99/801365599.db2.gz JIXCYTDIYMCASU-LSDHHAIUSA-N 1 1 298.858 3.240 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCC1CCC1 ZINC001049403213 801369865 /nfs/dbraw/zinc/36/98/65/801369865.db2.gz YCYFBAZVHCSRQV-SJORKVTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC1(C)C ZINC001049424405 801374260 /nfs/dbraw/zinc/37/42/60/801374260.db2.gz DIRJBUXPARSHKI-ARFHVFGLSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)C1CCC1 ZINC001049551766 801374610 /nfs/dbraw/zinc/37/46/10/801374610.db2.gz QOMIDTGASFWNPR-BHYGNILZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC[C@@H](C)F ZINC001049646020 801380872 /nfs/dbraw/zinc/38/08/72/801380872.db2.gz OPSSAPYVCBCWBF-RBSFLKMASA-N 1 1 296.430 3.012 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1(C)CCCCC1 ZINC001049696020 801383897 /nfs/dbraw/zinc/38/38/97/801383897.db2.gz WZOJFRXOPVXURQ-HOTGVXAUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)CC ZINC001049693207 801384013 /nfs/dbraw/zinc/38/40/13/801384013.db2.gz XFEDJVLGYNNXMY-HZPDHXFCSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCC ZINC001049699808 801386229 /nfs/dbraw/zinc/38/62/29/801386229.db2.gz MSRUVLLZWRGOPA-SOLBZPMBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCC ZINC001049699806 801386247 /nfs/dbraw/zinc/38/62/47/801386247.db2.gz MSRUVLLZWRGOPA-JFIYKMOQSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(C=C)cc1 ZINC001049743461 801387274 /nfs/dbraw/zinc/38/72/74/801387274.db2.gz PWQBQIQRSUXLAP-MSOLQXFVSA-N 1 1 296.414 3.195 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(CC)(CC)CC ZINC001049815666 801388045 /nfs/dbraw/zinc/38/80/45/801388045.db2.gz QIBYBKNLBUZZOS-HZPDHXFCSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H](C)C1CC1 ZINC001049923326 801392592 /nfs/dbraw/zinc/39/25/92/801392592.db2.gz USUCPUUEBSLCLZ-USXIJHARSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(CC)CC ZINC001049910925 801393190 /nfs/dbraw/zinc/39/31/90/801393190.db2.gz WTAYIKRSJLPRIL-HZPDHXFCSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@H+]1CCc2c(CNC(=O)C3CCCC3)cccc2C1 ZINC001051275936 801416144 /nfs/dbraw/zinc/41/61/44/801416144.db2.gz ZBCXTIDVRJNUHW-UHFFFAOYSA-N 1 1 298.430 3.037 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC=CCC2)CC1 ZINC001052197126 801426540 /nfs/dbraw/zinc/42/65/40/801426540.db2.gz KAGHODHXUVCRCO-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)o2)CC1 ZINC001052208404 801426872 /nfs/dbraw/zinc/42/68/72/801426872.db2.gz JHUNFZONMUJIND-GFCCVEGCSA-N 1 1 296.798 3.093 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)C2C(C)(C)C2(C)C)CC1 ZINC001052283091 801427827 /nfs/dbraw/zinc/42/78/27/801427827.db2.gz VGJZONNTJHBWEP-AWEZNQCLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccoc2CC)CC1 ZINC001052346671 801431029 /nfs/dbraw/zinc/43/10/29/801431029.db2.gz BJNPAEKVICTOSQ-CQSZACIVSA-N 1 1 290.407 3.002 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C2(C)CCCC2)CC1 ZINC001052602569 801441620 /nfs/dbraw/zinc/44/16/20/801441620.db2.gz JAWRKVOXJGNHQH-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](C[C@H](F)CC)CC2)C1 ZINC001052693684 801448994 /nfs/dbraw/zinc/44/89/94/801448994.db2.gz XFMDZQYQFRSOJS-CABCVRRESA-N 1 1 296.430 3.062 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2c(C)cccc2C)CC1 ZINC001052740526 801451933 /nfs/dbraw/zinc/45/19/33/801451933.db2.gz ZPNHAZQHVCVENS-INIZCTEOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)C2(F)CCCCC2)CC1 ZINC001052843481 801453697 /nfs/dbraw/zinc/45/36/97/801453697.db2.gz MDDJKFMSGPGVGW-HNNXBMFYSA-N 1 1 296.430 3.206 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC23CCCC3)CC1 ZINC001052843067 801454212 /nfs/dbraw/zinc/45/42/12/801454212.db2.gz ARIWBUZLWBOEGE-JKSUJKDBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](NC(=O)C23CCC(CC2)CC3)CC1 ZINC001052950268 801458414 /nfs/dbraw/zinc/45/84/14/801458414.db2.gz VMWSMXFVAUPCLG-PQUAAJSLSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)/C(C)=C\C)C2)C1 ZINC001053020329 801464729 /nfs/dbraw/zinc/46/47/29/801464729.db2.gz UGTNNDZYONRFCQ-XIENNYHASA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC2CC2)C1 ZINC001053060263 801465314 /nfs/dbraw/zinc/46/53/14/801465314.db2.gz FOWUHGISCLJFTN-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCC)C1 ZINC001053063791 801466390 /nfs/dbraw/zinc/46/63/90/801466390.db2.gz RGWYPNXQYWXPGK-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC1CCCC1)C2 ZINC001054076377 801472544 /nfs/dbraw/zinc/47/25/44/801472544.db2.gz CEAJNRYXSSIJMH-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)/C(C)=C/C)C2 ZINC001054110326 801473533 /nfs/dbraw/zinc/47/35/33/801473533.db2.gz CVIXIDYREQEOED-BDSVNUEJSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)CC2=CCCCC2)CC[C@@H]1C ZINC001071391749 801532728 /nfs/dbraw/zinc/53/27/28/801532728.db2.gz MULBESFBUHARQP-GOEBONIOSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)C2=CCCC2)CC[C@H]1C ZINC001071423923 801536092 /nfs/dbraw/zinc/53/60/92/801536092.db2.gz LIOSSGCMDHVDKW-GDBMZVCRSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2=CCCC2)CC[C@H]1C ZINC001071423926 801537290 /nfs/dbraw/zinc/53/72/90/801537290.db2.gz LIOSSGCMDHVDKW-ZBFHGGJFSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCC[N@H+]1C[C@H](NC(=O)c2ccoc2CC)CC[C@H]1C ZINC001071473718 801539236 /nfs/dbraw/zinc/53/92/36/801539236.db2.gz LLKXESKEQNXCEU-ZIAGYGMSSA-N 1 1 290.407 3.001 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc(C)cs2)CC[C@H]1C ZINC001071477334 801539291 /nfs/dbraw/zinc/53/92/91/801539291.db2.gz MMHJXNBKJFQTPQ-KGLIPLIRSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C(C)=C2CCC2)CC[C@@H]1C ZINC001071488127 801540852 /nfs/dbraw/zinc/54/08/52/801540852.db2.gz PUPQSUUOIKTHHQ-BBRMVZONSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)c2ccc(CC)o2)CC[C@@H]1C ZINC001071619409 801546219 /nfs/dbraw/zinc/54/62/19/801546219.db2.gz OMADCZVRFIXGSX-UONOGXRCSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C=C)cc2)CC[C@H]1C ZINC001071834663 801554501 /nfs/dbraw/zinc/55/45/01/801554501.db2.gz AYETXRHUROUPNZ-PBHICJAKSA-N 1 1 284.403 3.098 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)CC[C@@H]1C ZINC001072006387 801558302 /nfs/dbraw/zinc/55/83/02/801558302.db2.gz SNSMZHCLGHWBLU-LUKYLMHMSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2ccc(C)cc2)CC[C@@H]1C ZINC001072013303 801561604 /nfs/dbraw/zinc/56/16/04/801561604.db2.gz XMPIXASPNMMXKN-DOTOQJQBSA-N 1 1 286.419 3.154 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC2(C1)CC[N@@H+](CCC(=C)C)C2 ZINC001072944388 801575403 /nfs/dbraw/zinc/57/54/03/801575403.db2.gz BAOYIQZMBHFKKL-QGZVFWFLSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCC)CC2)CC1 ZINC001075445277 801602449 /nfs/dbraw/zinc/60/24/49/801602449.db2.gz YAHPRSFFTVNWTR-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001079751424 801646534 /nfs/dbraw/zinc/64/65/34/801646534.db2.gz VBSRTNREWVHCGB-IXDOHACOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2=CCCCCC2)C1 ZINC001079622598 801648131 /nfs/dbraw/zinc/64/81/31/801648131.db2.gz YKYAPQNVJGNNSW-IUODEOHRSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2=CCCCCC2)C1 ZINC001079622598 801648136 /nfs/dbraw/zinc/64/81/36/801648136.db2.gz YKYAPQNVJGNNSW-IUODEOHRSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001080207889 801649426 /nfs/dbraw/zinc/64/94/26/801649426.db2.gz SMKWVXJYTYPGBB-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001079947744 801650476 /nfs/dbraw/zinc/65/04/76/801650476.db2.gz LQZYUHMVKOJLSJ-BRWVUGGUSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001081027139 801660026 /nfs/dbraw/zinc/66/00/26/801660026.db2.gz ACUSWBJNJOJOBQ-PRLABOORSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CC3CCCCC3)[C@@H]2C1 ZINC001084173184 801665335 /nfs/dbraw/zinc/66/53/35/801665335.db2.gz IGOFJCSCOTURLL-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(C)c3C)[C@@H]2C1 ZINC001084807694 801672078 /nfs/dbraw/zinc/67/20/78/801672078.db2.gz DSMZVNOJZGUVTE-SJLPKXTDSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C)cc(C)c3)[C@@H]2C1 ZINC001084796764 801672447 /nfs/dbraw/zinc/67/24/47/801672447.db2.gz QUXKJQUVEMSXKI-SJLPKXTDSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[N@H+](CCCC)[C@H]2C1 ZINC001085024192 801675590 /nfs/dbraw/zinc/67/55/90/801675590.db2.gz BTPANXVXQJXMKB-RYRKJORJSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC=CCCC1 ZINC001085669453 801698101 /nfs/dbraw/zinc/69/81/01/801698101.db2.gz ZOVORHLERGKFQL-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1csc(C)c1C ZINC001085616404 801698149 /nfs/dbraw/zinc/69/81/49/801698149.db2.gz LRFZONSJIMBSGK-AWEZNQCLSA-N 1 1 292.448 3.087 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001085612655 801698256 /nfs/dbraw/zinc/69/82/56/801698256.db2.gz WWFMXPQFJUDKEC-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)sc1C ZINC001085705341 801701421 /nfs/dbraw/zinc/70/14/21/801701421.db2.gz MXRVXGYBZUTONO-CQSZACIVSA-N 1 1 292.448 3.087 20 30 CGEDMO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc(C(C)C)c1 ZINC001085908293 801710036 /nfs/dbraw/zinc/71/00/36/801710036.db2.gz FTPSTAYELQVXKC-KRWDZBQOSA-N 1 1 286.419 3.142 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(C(C)C)c1 ZINC001085908293 801710045 /nfs/dbraw/zinc/71/00/45/801710045.db2.gz FTPSTAYELQVXKC-KRWDZBQOSA-N 1 1 286.419 3.142 20 30 CGEDMO C=CCN(Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256628945 806931644 /nfs/dbraw/zinc/93/16/44/806931644.db2.gz SMBDFOPBVCJWTK-JWTNVVGKSA-N 1 1 270.420 3.300 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)N2C ZINC001256628945 806931661 /nfs/dbraw/zinc/93/16/61/806931661.db2.gz SMBDFOPBVCJWTK-JWTNVVGKSA-N 1 1 270.420 3.300 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)N2C ZINC001256628945 806931664 /nfs/dbraw/zinc/93/16/64/806931664.db2.gz SMBDFOPBVCJWTK-JWTNVVGKSA-N 1 1 270.420 3.300 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CCCCC2)[C@H]1CC ZINC001087487659 801749878 /nfs/dbraw/zinc/74/98/78/801749878.db2.gz QOLMHBHBFLAPKJ-LSDHHAIUSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CCCCC2)[C@H]1CC ZINC001087487659 801749884 /nfs/dbraw/zinc/74/98/84/801749884.db2.gz QOLMHBHBFLAPKJ-LSDHHAIUSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC2(C)C)[C@H]1CC ZINC001087693329 801762447 /nfs/dbraw/zinc/76/24/47/801762447.db2.gz GDZYKBSOQXHKHM-OWCLPIDISA-N 1 1 292.467 3.358 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C(C)C)c2)[C@H]1CC ZINC001087784244 801766241 /nfs/dbraw/zinc/76/62/41/801766241.db2.gz UQYCEINXUJVJDA-ZWKOTPCHSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccoc2CC)[C@H]1C ZINC001088547130 801802460 /nfs/dbraw/zinc/80/24/60/801802460.db2.gz FMSHTTJTWKXSHV-HIFRSBDPSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(CCC)cc2)[C@H]1C ZINC001088827126 801809193 /nfs/dbraw/zinc/80/91/93/801809193.db2.gz WVIKRYIVPHOJNY-PBHICJAKSA-N 1 1 286.419 3.018 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C(C)C)c2)[C@H]1C ZINC001088957479 801812966 /nfs/dbraw/zinc/81/29/66/801812966.db2.gz FCEYDGARGLUXKL-PBHICJAKSA-N 1 1 286.419 3.189 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC2(C)C)CC(C)(C)C1 ZINC001089362281 801834863 /nfs/dbraw/zinc/83/48/63/801834863.db2.gz FGYVXVSBCHMLQG-HUUCEWRRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@@H]2C)CC(C)(C)C1 ZINC001089467414 801839490 /nfs/dbraw/zinc/83/94/90/801839490.db2.gz UDEDFJNXCCJJTE-XHSDSOJGSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2CCC)CC(C)(C)C1 ZINC001089487458 801841631 /nfs/dbraw/zinc/84/16/31/801841631.db2.gz LKGSNMGUYIEVQR-OWCLPIDISA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CCC1 ZINC001089601455 801845865 /nfs/dbraw/zinc/84/58/65/801845865.db2.gz XROTVWNRQUQBEI-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001089685032 801848970 /nfs/dbraw/zinc/84/89/70/801848970.db2.gz YTZZGZQFXVBJHW-XHSDSOJGSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1C[C@H]2C[N@H+](CCCC)C[C@@]2(C)C1 ZINC001091910582 801858821 /nfs/dbraw/zinc/85/88/21/801858821.db2.gz CJPRWANOAIKJOP-QAPCUYQASA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)C(C)C)C[C@]2(C)C1 ZINC001091700595 801860773 /nfs/dbraw/zinc/86/07/73/801860773.db2.gz XQSMGOHTLMQITG-QAPCUYQASA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)=C1CCCC1)C2 ZINC001095298236 801882010 /nfs/dbraw/zinc/88/20/10/801882010.db2.gz OHFLZBCTSNKYSR-IKGGRYGDSA-N 1 1 288.435 3.175 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C)c(C)c1)C2 ZINC001096476194 801889119 /nfs/dbraw/zinc/88/91/19/801889119.db2.gz COCNMGCIEIFDGF-SQNIBIBYSA-N 1 1 298.430 3.215 20 30 CGEDMO C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC1CC1 ZINC001098862154 801918241 /nfs/dbraw/zinc/91/82/41/801918241.db2.gz NDNVJHJSWTUUAD-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)C ZINC001098904148 801920476 /nfs/dbraw/zinc/92/04/76/801920476.db2.gz AQOBMANTUOFVAI-CYBMUJFWSA-N 1 1 286.847 3.002 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)C ZINC001098904148 801920504 /nfs/dbraw/zinc/92/05/04/801920504.db2.gz AQOBMANTUOFVAI-CYBMUJFWSA-N 1 1 286.847 3.002 20 30 CGEDMO C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)/C=C/C1CC1 ZINC001099007301 801924188 /nfs/dbraw/zinc/92/41/88/801924188.db2.gz BBPPYQGYQOSZRB-FDMDGMSGSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCCF ZINC001099098362 801928218 /nfs/dbraw/zinc/92/82/18/801928218.db2.gz OEJYCRXIUQVESG-HNNXBMFYSA-N 1 1 298.446 3.309 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@]1(C)C=CCC1 ZINC001099164671 801929848 /nfs/dbraw/zinc/92/98/48/801929848.db2.gz FWUBFNPBQRBTDU-QAPCUYQASA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC(=C)C ZINC001099171913 801931890 /nfs/dbraw/zinc/93/18/90/801931890.db2.gz WNOJJYYOGGQLBF-HNNXBMFYSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C/C=C(\C)C=C ZINC001099181518 801931903 /nfs/dbraw/zinc/93/19/03/801931903.db2.gz AOKSGDGYIQWMLU-AHQMPEJBSA-N 1 1 290.451 3.302 20 30 CGEDMO C=CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCF ZINC001099175348 801932491 /nfs/dbraw/zinc/93/24/91/801932491.db2.gz IESATKRVZUKEET-HNNXBMFYSA-N 1 1 298.446 3.309 20 30 CGEDMO C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](F)C(C)C ZINC001099176617 801932893 /nfs/dbraw/zinc/93/28/93/801932893.db2.gz QYKLUXDYMGXIRK-CABCVRRESA-N 1 1 298.446 3.163 20 30 CGEDMO C=CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCCF ZINC001099204223 801933472 /nfs/dbraw/zinc/93/34/72/801933472.db2.gz XMPKROPKSSDTAA-HNNXBMFYSA-N 1 1 298.446 3.309 20 30 CGEDMO C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)C(C)C ZINC001099257247 801934731 /nfs/dbraw/zinc/93/47/31/801934731.db2.gz CGNJXNUQKZQLQZ-CVEARBPZSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1(C)CC(=C)C1 ZINC001099230091 801935076 /nfs/dbraw/zinc/93/50/76/801935076.db2.gz QQCGDMVCAICSFB-HNNXBMFYSA-N 1 1 290.451 3.136 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(C)=O ZINC001099372112 801936669 /nfs/dbraw/zinc/93/66/69/801936669.db2.gz KFTAZSTUWWPLJQ-MLHJIOFPSA-N 1 1 292.467 3.146 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1C[C@H]2C[N@H+](CCCC)C[C@@]2(C)C1 ZINC001101338183 801976075 /nfs/dbraw/zinc/97/60/75/801976075.db2.gz ZXQYRJQYNIEOJE-NUJGCVRESA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)CCC)[C@H](C)C1 ZINC001101830737 801991749 /nfs/dbraw/zinc/99/17/49/801991749.db2.gz YRYPYOPSMOIYEW-ARFHVFGLSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](CNC(=O)C(C)(C)C(=C)Cl)[C@H](C)C1 ZINC001102000406 801998300 /nfs/dbraw/zinc/99/83/00/801998300.db2.gz OLXFFGQSPRUBFU-TZMCWYRMSA-N 1 1 298.858 3.025 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](CNC(=O)C(CC=C)CC=C)[C@H](C)C1 ZINC001101998090 801998526 /nfs/dbraw/zinc/99/85/26/801998526.db2.gz UDEVUCPOPPQESD-NVXWUHKLSA-N 1 1 290.451 3.015 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)CC[C@@H](C)CC)[C@H](C)C1 ZINC001102477986 802007977 /nfs/dbraw/zinc/00/79/77/802007977.db2.gz ZYWDITSKGYSGGP-ARFHVFGLSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](CNC(=O)CC[C@H](C)CC)[C@H](C)C1 ZINC001102478198 802009402 /nfs/dbraw/zinc/00/94/02/802009402.db2.gz IKCKGFFSLXEGQZ-BZUAXINKSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](CNC(=O)C[C@H](CC)C(C)(C)C)[C@H](C)C1 ZINC001102510204 802010244 /nfs/dbraw/zinc/01/02/44/802010244.db2.gz RHCDNDXTDVDTPO-OAGGEKHMSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)CCC(C)(C)C)[C@H](C)C1 ZINC001102512442 802010531 /nfs/dbraw/zinc/01/05/31/802010531.db2.gz OLSVTIITYKYADP-ARFHVFGLSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC(C)C)C1 ZINC001102654680 802017481 /nfs/dbraw/zinc/01/74/81/802017481.db2.gz VWJQSPYRXUXZBT-HZPDHXFCSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)/C(C)=C\CC)C1 ZINC001102728493 802020396 /nfs/dbraw/zinc/02/03/96/802020396.db2.gz VMDAYOYSFGFUGK-CBNFBOEASA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC(C)C2)C1 ZINC001102847774 802020885 /nfs/dbraw/zinc/02/08/85/802020885.db2.gz ZIHCZMLEBHZYRV-JCCCHCCOSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C=C2CCC2)C1 ZINC001102850657 802022132 /nfs/dbraw/zinc/02/21/32/802022132.db2.gz QFKPUPJHKHCVCY-NVXWUHKLSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(F)=C(C)C)C1 ZINC001102855464 802024532 /nfs/dbraw/zinc/02/45/32/802024532.db2.gz XOJFVWVRPMOCNJ-HUUCEWRRSA-N 1 1 296.430 3.290 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[C@@H]1C[N@H+](CC=C(C)C)C[C@H]1C ZINC001103311968 802028863 /nfs/dbraw/zinc/02/88/63/802028863.db2.gz UZHKFAHKLGOALM-HZPDHXFCSA-N 1 1 292.467 3.239 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[C@@H]1C[N@@H+](C[C@@H](C)CC)C[C@H]1C ZINC001103312054 802029669 /nfs/dbraw/zinc/02/96/69/802029669.db2.gz YXLYQALAVWAMPQ-ARFHVFGLSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[C@@H]1C[N@@H+](CC[C@@H](C)F)C[C@H]1C ZINC001103311613 802029889 /nfs/dbraw/zinc/02/98/89/802029889.db2.gz DDCILKZWAYRLPE-RBSFLKMASA-N 1 1 298.446 3.021 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC2(C)CC2)C1 ZINC001103605845 802036948 /nfs/dbraw/zinc/03/69/48/802036948.db2.gz YFUQAOCQBUUCPW-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)C(C)(C)C)C1 ZINC001103675208 802037576 /nfs/dbraw/zinc/03/75/76/802037576.db2.gz SQFVTBWHXDJMDG-BZUAXINKSA-N 1 1 294.483 3.319 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)C3(CC)CC3)CCC[C@@H]12 ZINC001107532187 802088951 /nfs/dbraw/zinc/08/89/51/802088951.db2.gz LIWJNWDAOSFVBC-CRAIPNDOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)C3(C)CCC3)CCC[C@@H]12 ZINC001107503983 802089124 /nfs/dbraw/zinc/08/91/24/802089124.db2.gz WUKZJZWYVUXBQT-CRAIPNDOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C)c1 ZINC001109046267 802105830 /nfs/dbraw/zinc/10/58/30/802105830.db2.gz LSUSJOBLGYNXSC-SQNIBIBYSA-N 1 1 298.430 3.183 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C(C)(C)C)C2 ZINC001109450548 802116215 /nfs/dbraw/zinc/11/62/15/802116215.db2.gz WXMFZFCZDJESKK-WCVJEAGWSA-N 1 1 292.467 3.356 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(C)C ZINC001109590863 802117536 /nfs/dbraw/zinc/11/75/36/802117536.db2.gz FYJJRLSXRFNGCC-PMPSAXMXSA-N 1 1 290.451 3.276 20 30 CGEDMO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCCF ZINC001109657482 802121312 /nfs/dbraw/zinc/12/13/12/802121312.db2.gz QZYOLYVKJGRADU-PMPSAXMXSA-N 1 1 296.430 3.204 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CCC=C)CC1)C2 ZINC001109682145 802123171 /nfs/dbraw/zinc/12/31/71/802123171.db2.gz VKLGPPWQRACWFB-PMPSAXMXSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C=C(C)C)C2 ZINC001110259632 802134455 /nfs/dbraw/zinc/13/44/55/802134455.db2.gz KLXXNLCMLYVJPD-FPCVCCKLSA-N 1 1 276.424 3.029 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C ZINC001110379011 802138467 /nfs/dbraw/zinc/13/84/67/802138467.db2.gz ROAKALVKNDUOMY-KFWWJZLASA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)/C(C)=C\C)C2 ZINC001110435874 802142647 /nfs/dbraw/zinc/14/26/47/802142647.db2.gz YNBVRGHZEKTKDD-HVSZCGFKSA-N 1 1 276.424 3.029 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC(C)(C)C1)C2 ZINC001110516374 802144706 /nfs/dbraw/zinc/14/47/06/802144706.db2.gz UANOTIGNRICJHJ-OAGGEKHMSA-N 1 1 290.451 3.110 20 30 CGEDMO CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C)CC1)C2 ZINC001110581070 802144911 /nfs/dbraw/zinc/14/49/11/802144911.db2.gz FRZXUZPOAABBHV-OAGGEKHMSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@H](C)F ZINC001110603464 802146481 /nfs/dbraw/zinc/14/64/81/802146481.db2.gz FGLMSDWNWSMOMT-YJNKXOJESA-N 1 1 296.430 3.058 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C\Cl ZINC001110934572 802150405 /nfs/dbraw/zinc/15/04/05/802150405.db2.gz IEMWBBVHGFNQCS-YOCOWXFKSA-N 1 1 296.842 3.063 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C/C=C\Cl ZINC001110934572 802150408 /nfs/dbraw/zinc/15/04/08/802150408.db2.gz IEMWBBVHGFNQCS-YOCOWXFKSA-N 1 1 296.842 3.063 20 30 CGEDMO C[C@@H](Cc1ccncc1)[N@H+](CCC#N)Cc1ccccc1 ZINC001256733796 806963974 /nfs/dbraw/zinc/96/39/74/806963974.db2.gz RVMIUQZMKNARFX-INIZCTEOSA-N 1 1 279.387 3.428 20 30 CGEDMO C[C@@H](Cc1ccncc1)[N@@H+](CCC#N)Cc1ccccc1 ZINC001256733796 806963977 /nfs/dbraw/zinc/96/39/77/806963977.db2.gz RVMIUQZMKNARFX-INIZCTEOSA-N 1 1 279.387 3.428 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(CC)CCCCC1)C2 ZINC001111444691 802160333 /nfs/dbraw/zinc/16/03/33/802160333.db2.gz PIKKXDBQKQYFAV-OAGGEKHMSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)C1CC1)C2 ZINC001111472393 802161571 /nfs/dbraw/zinc/16/15/71/802161571.db2.gz PEINPBYRKGGWHT-DZUCGIPZSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC/C=C\CC)C2 ZINC001111650254 802164615 /nfs/dbraw/zinc/16/46/15/802164615.db2.gz LCMCBEIKRNUOLD-AKKGJHILSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(CC)CC)C1 ZINC001111604315 802165300 /nfs/dbraw/zinc/16/53/00/802165300.db2.gz NYRFTQPNBIQHRF-HOCLYGCPSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(CC)CC)C1 ZINC001111604315 802165305 /nfs/dbraw/zinc/16/53/05/802165305.db2.gz NYRFTQPNBIQHRF-HOCLYGCPSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC=C(C)C)C2 ZINC001111764920 802169263 /nfs/dbraw/zinc/16/92/63/802169263.db2.gz JJCGCIKOMHADMX-WMZOPIPTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=C)C)C2 ZINC001111848986 802170174 /nfs/dbraw/zinc/17/01/74/802170174.db2.gz ZYGXHXZZUIIRGV-BQFCYCMXSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)CCC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001112904145 802195904 /nfs/dbraw/zinc/19/59/04/802195904.db2.gz HTLQUNNKULSRIF-INIZCTEOSA-N 1 1 286.419 3.248 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)CCCCCC ZINC001114662576 802242433 /nfs/dbraw/zinc/24/24/33/802242433.db2.gz MGPKXUVUHNSZOJ-MWDXBVQZSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(CC)CC)C[C@H]21 ZINC001114791705 802245566 /nfs/dbraw/zinc/24/55/66/802245566.db2.gz JHEVKHASYKRNDT-LHHMISFZSA-N 1 1 292.467 3.071 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1CC ZINC001114855769 802246893 /nfs/dbraw/zinc/24/68/93/802246893.db2.gz DHWQPBDRUHOSQK-MTSZKFMLSA-N 1 1 292.467 3.049 20 30 CGEDMO CC(=[NH+]OC(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC001116408754 802343417 /nfs/dbraw/zinc/34/34/17/802343417.db2.gz MLWLTRVMJBYVAA-UHFFFAOYSA-N 1 1 294.370 3.201 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC001116691301 802397018 /nfs/dbraw/zinc/39/70/18/802397018.db2.gz FKPDIIPYZWLNJO-ZDUSSCGKSA-N 1 1 269.747 3.256 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC001116691301 802397025 /nfs/dbraw/zinc/39/70/25/802397025.db2.gz FKPDIIPYZWLNJO-ZDUSSCGKSA-N 1 1 269.747 3.256 20 30 CGEDMO C#CC[N@@H+](Cc1cc(Cl)c(F)cc1O)CC1CC1 ZINC001117759977 802489742 /nfs/dbraw/zinc/48/97/42/802489742.db2.gz IJOIJOFCKZKSRE-UHFFFAOYSA-N 1 1 267.731 3.030 20 30 CGEDMO C#CC[N@H+](Cc1cc(Cl)c(F)cc1O)CC1CC1 ZINC001117759977 802489747 /nfs/dbraw/zinc/48/97/47/802489747.db2.gz IJOIJOFCKZKSRE-UHFFFAOYSA-N 1 1 267.731 3.030 20 30 CGEDMO CS[C@H]1CC[C@@H]([N@@H+](C)CC#Cc2ccccc2)C1 ZINC001119929103 802708644 /nfs/dbraw/zinc/70/86/44/802708644.db2.gz JDKAJHRETPXTEB-CVEARBPZSA-N 1 1 259.418 3.254 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(C)=O)C1 ZINC001120271960 802737212 /nfs/dbraw/zinc/73/72/12/802737212.db2.gz INOJPHYTODSDST-QZTJIDSGSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CCF)C1 ZINC001120423442 802744151 /nfs/dbraw/zinc/74/41/51/802744151.db2.gz UOAFJZZQIZRENE-HZPDHXFCSA-N 1 1 296.430 3.015 20 30 CGEDMO CCC1CCC([N@H+]2CCC3SC(=O)C=C3C2)CC1 ZINC001256871293 806995885 /nfs/dbraw/zinc/99/58/85/806995885.db2.gz MFPYHUWKBDKZNY-UBHUBRDASA-N 1 1 265.422 3.229 20 30 CGEDMO N#C[C@@H]1CC=C(c2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC001243795691 803013759 /nfs/dbraw/zinc/01/37/59/803013759.db2.gz DFZVYCYDFBEXSK-OAHLLOKOSA-N 1 1 282.387 3.226 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cccs2)CC[C@H]1C ZINC001131771176 803343383 /nfs/dbraw/zinc/34/33/83/803343383.db2.gz FNLRLCAWODMQRH-KGLIPLIRSA-N 1 1 292.448 3.297 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)CCSCC)CC[C@H]1C ZINC001131849361 803351584 /nfs/dbraw/zinc/35/15/84/803351584.db2.gz RLWLYBBRGMIYAL-CABCVRRESA-N 1 1 298.496 3.065 20 30 CGEDMO C#CCC[N@@H+]1C[C@H](NC(=O)CCCC(C)(C)C)CC[C@H]1C ZINC001131899062 803355826 /nfs/dbraw/zinc/35/58/26/803355826.db2.gz HWRIQCHLCSLRKE-HZPDHXFCSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCC(C)(C)C)C1 ZINC001131895661 803356566 /nfs/dbraw/zinc/35/65/66/803356566.db2.gz LHGPCPKVFLNMBH-HUUCEWRRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)C2=CCCC2)CC[C@@H]1C ZINC001131949511 803360746 /nfs/dbraw/zinc/36/07/46/803360746.db2.gz DLDJTNVHNSAWDH-HOCLYGCPSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)C=C2CCC2)CC[C@H]1C ZINC001131954688 803361433 /nfs/dbraw/zinc/36/14/33/803361433.db2.gz DWLYNDLSHFDFCX-ZBFHGGJFSA-N 1 1 276.424 3.032 20 30 CGEDMO CCC(CC)C[N@H+]1C[C@@H](NC(=O)C#CC(C)C)CC[C@H]1C ZINC001132022084 803366706 /nfs/dbraw/zinc/36/67/06/803366706.db2.gz UNPQAPGQLSFLJI-WBVHZDCISA-N 1 1 292.467 3.051 20 30 CGEDMO CC(C)C#CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCC(C)(C)C)C1 ZINC001132020991 803367380 /nfs/dbraw/zinc/36/73/80/803367380.db2.gz JQUPOCSZICMOKD-HOTGVXAUSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](C/C=C\Cl)C1 ZINC001132061719 803371409 /nfs/dbraw/zinc/37/14/09/803371409.db2.gz XYRWJKVBHASHQF-UMBVUCBTSA-N 1 1 298.858 3.310 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](C/C=C\Cl)C1 ZINC001132061719 803371416 /nfs/dbraw/zinc/37/14/16/803371416.db2.gz XYRWJKVBHASHQF-UMBVUCBTSA-N 1 1 298.858 3.310 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)C(C)(C)C(=C)Cl)CC[C@@H]1C ZINC001132079057 803372564 /nfs/dbraw/zinc/37/25/64/803372564.db2.gz SIESZWIKVPPRSH-GXTWGEPZSA-N 1 1 298.858 3.310 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](CCC2CC2)C1 ZINC001132218000 803379896 /nfs/dbraw/zinc/37/98/96/803379896.db2.gz KFUHJSMSTRULRB-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO CC#CC[N@H+]1C[C@H](NC(=O)C(C)(C)C(C)(C)C)CC[C@H]1C ZINC001132224072 803381170 /nfs/dbraw/zinc/38/11/70/803381170.db2.gz KGKRSSCBNUQIQE-HUUCEWRRSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)CC(C)=C(C)C)CC[C@H]1C ZINC001132223938 803381459 /nfs/dbraw/zinc/38/14/59/803381459.db2.gz IGVFPDHIRWHCKT-CVEARBPZSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C/C(C)=C/CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=C)C)C1 ZINC001132223569 803382391 /nfs/dbraw/zinc/38/23/91/803382391.db2.gz FCUGIPHRSLPETH-DMNRVOQQSA-N 1 1 276.424 3.054 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCC(C)C)C1 ZINC001132248458 803387268 /nfs/dbraw/zinc/38/72/68/803387268.db2.gz GJTZUOZBVIABQH-HOTGVXAUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)CCCC2CC2)CC[C@@H]1C ZINC001132250023 803387649 /nfs/dbraw/zinc/38/76/49/803387649.db2.gz WPOFGEREXVSKBB-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)C(C)(C)CC)CC[C@H]1C ZINC001132256206 803388664 /nfs/dbraw/zinc/38/86/64/803388664.db2.gz KJNHTVAUCBSTDP-HUUCEWRRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC1(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC(=C)C)C2)CC1 ZINC001132277216 803389764 /nfs/dbraw/zinc/38/97/64/803389764.db2.gz CQPZKYPHQQSCLH-CVEARBPZSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC(C)C)C2)CCC1 ZINC001132282004 803391081 /nfs/dbraw/zinc/39/10/81/803391081.db2.gz HCHSMNBLTVBZEX-JKSUJKDBSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCCC)C1 ZINC001132330514 803395982 /nfs/dbraw/zinc/39/59/82/803395982.db2.gz IIGGLLDLMLPKPG-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C#CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)CC(C)C)CC[C@H]1C ZINC001132416147 803402694 /nfs/dbraw/zinc/40/26/94/803402694.db2.gz AOUMIVBBPSJVGI-CVEARBPZSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CC[N@@H+](C)Cc1cc(Br)c(F)cc1F ZINC001136854383 803654425 /nfs/dbraw/zinc/65/44/25/803654425.db2.gz UQMAMKSOEDGAHX-UHFFFAOYSA-N 1 1 276.124 3.345 20 30 CGEDMO C=CC[N@H+](C)Cc1cc(Br)c(F)cc1F ZINC001136854383 803654427 /nfs/dbraw/zinc/65/44/27/803654427.db2.gz UQMAMKSOEDGAHX-UHFFFAOYSA-N 1 1 276.124 3.345 20 30 CGEDMO N#CCOc1ccc(C[N@@H+]2CCCC(F)(F)[C@@H](F)C2)cc1 ZINC001137115505 803685196 /nfs/dbraw/zinc/68/51/96/803685196.db2.gz RRIOIVFYAYANHB-AWEZNQCLSA-N 1 1 298.308 3.158 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CCCC(F)(F)[C@@H](F)C2)cc1 ZINC001137115505 803685198 /nfs/dbraw/zinc/68/51/98/803685198.db2.gz RRIOIVFYAYANHB-AWEZNQCLSA-N 1 1 298.308 3.158 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccnc1Cl ZINC001137426531 803732395 /nfs/dbraw/zinc/73/23/95/803732395.db2.gz TVKCKGGWHSECNM-UOJUARBOSA-N 1 1 261.756 3.002 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccnc1Cl ZINC001137426531 803732398 /nfs/dbraw/zinc/73/23/98/803732398.db2.gz TVKCKGGWHSECNM-UOJUARBOSA-N 1 1 261.756 3.002 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2cccc3ncccc23)CC1 ZINC001137629298 803746961 /nfs/dbraw/zinc/74/69/61/803746961.db2.gz GPLBRASFOXDHGH-CQSZACIVSA-N 1 1 265.360 3.360 20 30 CGEDMO COc1ccc(C[N@@H+]2[C@H](C)CCC[C@@H]2C)c(C#N)c1 ZINC001137698493 803759051 /nfs/dbraw/zinc/75/90/51/803759051.db2.gz ZJPZQYUEHGIGQD-BETUJISGSA-N 1 1 258.365 3.330 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@H](C)[C@@H](C)C2)c(C#N)c1 ZINC001137699505 803760155 /nfs/dbraw/zinc/76/01/55/803760155.db2.gz JWEAHTWLYKARTK-KBPBESRZSA-N 1 1 272.392 3.435 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@@H](C)C[C@H]2C)c(C#N)c1 ZINC001137703368 803760905 /nfs/dbraw/zinc/76/09/05/803760905.db2.gz LAXZDXGNRBVVPO-CHWSQXEVSA-N 1 1 258.365 3.187 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC[C@H]3CCC[C@H]32)cc1OC ZINC001138348458 803898406 /nfs/dbraw/zinc/89/84/06/803898406.db2.gz JWDNEGNPLNNTRM-IAGOWNOFSA-N 1 1 299.414 3.472 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)cc1OC ZINC001138343034 803898779 /nfs/dbraw/zinc/89/87/79/803898779.db2.gz FMOQGSPBGXEVSP-IRXDYDNUSA-N 1 1 299.414 3.329 20 30 CGEDMO Cc1c2ccccc2[nH]c1C[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001138397941 803916040 /nfs/dbraw/zinc/91/60/40/803916040.db2.gz IPGCNTRIDNOVNT-MRXNPFEDSA-N 1 1 298.411 3.250 20 30 CGEDMO Cc1c2ccccc2[nH]c1C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001138397941 803916043 /nfs/dbraw/zinc/91/60/43/803916043.db2.gz IPGCNTRIDNOVNT-MRXNPFEDSA-N 1 1 298.411 3.250 20 30 CGEDMO C=CC[N@@H+](C)Cc1ncccc1NC(=O)OC(C)(C)C ZINC001138406902 803919006 /nfs/dbraw/zinc/91/90/06/803919006.db2.gz AUFHXJXHKHWPRT-UHFFFAOYSA-N 1 1 277.368 3.046 20 30 CGEDMO C=CC[N@H+](C)Cc1ncccc1NC(=O)OC(C)(C)C ZINC001138406902 803919010 /nfs/dbraw/zinc/91/90/10/803919010.db2.gz AUFHXJXHKHWPRT-UHFFFAOYSA-N 1 1 277.368 3.046 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CC[C@@H](C)C[C@H]2C)cc1 ZINC001138557441 803966417 /nfs/dbraw/zinc/96/64/17/803966417.db2.gz LDFGKFUVQNGPKK-HUUCEWRRSA-N 1 1 257.377 3.319 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCCC3(CCC3)C2)cc1 ZINC001138560280 803968085 /nfs/dbraw/zinc/96/80/85/803968085.db2.gz PZGTUTJWHVXRSC-UHFFFAOYSA-N 1 1 269.388 3.465 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1CC[C@@H](C)[C@@H](O)CC1 ZINC001138663580 803996154 /nfs/dbraw/zinc/99/61/54/803996154.db2.gz YRQQHTGRWNEHFO-WBVHZDCISA-N 1 1 289.419 3.234 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccnn1[C@H]1CCCCO1 ZINC001138781910 804036499 /nfs/dbraw/zinc/03/64/99/804036499.db2.gz BYTKOAXXWRYBOD-MRXNPFEDSA-N 1 1 277.412 3.370 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[NH2+]C[C@H](N)CC ZINC001246005134 804098464 /nfs/dbraw/zinc/09/84/64/804098464.db2.gz QZBVXDOLHJNANI-CVEARBPZSA-N 1 1 272.477 3.205 20 30 CGEDMO CCCCCCCCCC[C@H](O)CNC[C@H]([NH3+])CC ZINC001246005134 804098475 /nfs/dbraw/zinc/09/84/75/804098475.db2.gz QZBVXDOLHJNANI-CVEARBPZSA-N 1 1 272.477 3.205 20 30 CGEDMO C=CCOc1ccccc1C[NH+]1CC2(C1)C[C@@H](F)CS2 ZINC001139029993 804114314 /nfs/dbraw/zinc/11/43/14/804114314.db2.gz APCRPQQLIIEDDR-CQSZACIVSA-N 1 1 293.407 3.281 20 30 CGEDMO C=CCOc1ccccc1CN1CC[C@@H]([N@H+](C)C(C)C)C1 ZINC001139030529 804114856 /nfs/dbraw/zinc/11/48/56/804114856.db2.gz PPLASPFSICPYBV-QGZVFWFLSA-N 1 1 288.435 3.166 20 30 CGEDMO CCCCCCC[C@@H](CC(C)C)[NH2+]C[C@]1(O)CCCNC1 ZINC001246225193 804218652 /nfs/dbraw/zinc/21/86/52/804218652.db2.gz BACSOXQRDSEZTL-ROUUACIJSA-N 1 1 298.515 3.466 20 30 CGEDMO CCCCCCC[C@H](CC(C)C)[NH2+]C[C@@]1(O)CCCNC1 ZINC001246225189 804219240 /nfs/dbraw/zinc/21/92/40/804219240.db2.gz BACSOXQRDSEZTL-QZTJIDSGSA-N 1 1 298.515 3.466 20 30 CGEDMO C[C@]1(CO)CCC[N@H+](Cc2cccc(Cl)c2C#N)CC1 ZINC001139686677 804254061 /nfs/dbraw/zinc/25/40/61/804254061.db2.gz BGTJLFVKFZXDAK-INIZCTEOSA-N 1 1 292.810 3.196 20 30 CGEDMO C[C@]1(CO)CCC[N@@H+](Cc2cccc(Cl)c2C#N)CC1 ZINC001139686677 804254070 /nfs/dbraw/zinc/25/40/70/804254070.db2.gz BGTJLFVKFZXDAK-INIZCTEOSA-N 1 1 292.810 3.196 20 30 CGEDMO N#Cc1c(Cl)cccc1C[N@H+]1CCC[C@H](CF)C1 ZINC001139690766 804256131 /nfs/dbraw/zinc/25/61/31/804256131.db2.gz JEFKRHWOEKRLTE-LLVKDONJSA-N 1 1 266.747 3.393 20 30 CGEDMO N#Cc1c(Cl)cccc1C[N@@H+]1CCC[C@H](CF)C1 ZINC001139690766 804256140 /nfs/dbraw/zinc/25/61/40/804256140.db2.gz JEFKRHWOEKRLTE-LLVKDONJSA-N 1 1 266.747 3.393 20 30 CGEDMO CO[C@@H]1CCC[N@@H+](Cc2c[nH]c3c2cccc3C#N)CC1 ZINC001139706373 804259717 /nfs/dbraw/zinc/25/97/17/804259717.db2.gz SXSRFDGGMMTSJZ-OAHLLOKOSA-N 1 1 283.375 3.040 20 30 CGEDMO CC[C@H]1CCC[N@H+]1Cc1c[nH]c2c1cccc2C#N ZINC001139704039 804260357 /nfs/dbraw/zinc/26/03/57/804260357.db2.gz ZQEPJPQRYDLUGC-AWEZNQCLSA-N 1 1 253.349 3.414 20 30 CGEDMO CCCCCCC[C@H](CCC)N[C@@]1(CCO)CC[NH2+]C1 ZINC001246292408 804262716 /nfs/dbraw/zinc/26/27/16/804262716.db2.gz JPBUIPVMHAXKOF-DLBZAZTESA-N 1 1 284.488 3.220 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)cc1C#N ZINC001139724175 804266474 /nfs/dbraw/zinc/26/64/74/804266474.db2.gz JKQNEKCKPRPMSV-HOTGVXAUSA-N 1 1 254.377 3.489 20 30 CGEDMO CC(C)(C)C#CC[NH2+][C@H]1CCN[C@H](c2ccccc2)C1 ZINC001246326934 804284922 /nfs/dbraw/zinc/28/49/22/804284922.db2.gz PUBWHJTWRMZPSY-IRXDYDNUSA-N 1 1 270.420 3.119 20 30 CGEDMO N#Cc1cc(F)cc(C[N@@H+]2CCC[C@H]2c2ccccn2)c1 ZINC001139875209 804306271 /nfs/dbraw/zinc/30/62/71/804306271.db2.gz VSDAGYOQQNMHSW-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1cc(F)cc(C[N@H+]2CCC[C@H]2c2ccccn2)c1 ZINC001139875209 804306280 /nfs/dbraw/zinc/30/62/80/804306280.db2.gz VSDAGYOQQNMHSW-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO C[N@H+](Cc1cc(F)cc(C#N)c1)C[C@H]1Cc2ccccc2O1 ZINC001139878898 804307756 /nfs/dbraw/zinc/30/77/56/804307756.db2.gz AXBTVFRUQQSBKS-QGZVFWFLSA-N 1 1 296.345 3.133 20 30 CGEDMO N#Cc1cc(F)cc(C[N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c1 ZINC001139877668 804309412 /nfs/dbraw/zinc/30/94/12/804309412.db2.gz RYYOHCQLSKTLDM-OCCSQVGLSA-N 1 1 280.293 3.174 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CCNC[C@H](F)C1 ZINC001246603353 804440323 /nfs/dbraw/zinc/44/03/23/804440323.db2.gz ZBACMJKSQZXOGE-LSDHHAIUSA-N 1 1 258.425 3.369 20 30 CGEDMO CCCCCCC[C@@H](CC)N1CC[NH2+]C[C@H](F)C1 ZINC001246603353 804440328 /nfs/dbraw/zinc/44/03/28/804440328.db2.gz ZBACMJKSQZXOGE-LSDHHAIUSA-N 1 1 258.425 3.369 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CC[C@]4(C3)CCCCN4)C[C@H](C1)C2 ZINC001246619625 804453450 /nfs/dbraw/zinc/45/34/50/804453450.db2.gz IDSPJROCKOUXMG-WFFDWFOESA-N 1 1 274.452 3.339 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CC[C@]4(C3)CCCCN4)C[C@H](C1)C2 ZINC001246619625 804453452 /nfs/dbraw/zinc/45/34/52/804453452.db2.gz IDSPJROCKOUXMG-WFFDWFOESA-N 1 1 274.452 3.339 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)cn1 ZINC001140546015 804458127 /nfs/dbraw/zinc/45/81/27/804458127.db2.gz SVFGKUJXTJEAMM-HNNXBMFYSA-N 1 1 281.334 3.082 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)Cc1ccc(C#N)nc1 ZINC001140546225 804458723 /nfs/dbraw/zinc/45/87/23/804458723.db2.gz ZZNBGRJEYWHPNB-UHFFFAOYSA-N 1 1 263.344 3.141 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(C#N)nc1 ZINC001140546225 804458729 /nfs/dbraw/zinc/45/87/29/804458729.db2.gz ZZNBGRJEYWHPNB-UHFFFAOYSA-N 1 1 263.344 3.141 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(N2CCOCC2)cc1F ZINC001140663900 804487621 /nfs/dbraw/zinc/48/76/21/804487621.db2.gz SBAMVAHGCMGTSI-UHFFFAOYSA-N 1 1 292.398 3.060 20 30 CGEDMO CCCC[C@@H]1C[C@H](N(C)Cc2ccc(C#N)cc2)CC[NH2+]1 ZINC001246768151 804501430 /nfs/dbraw/zinc/50/14/30/804501430.db2.gz FDTCBKKTZXHKKV-QZTJIDSGSA-N 1 1 285.435 3.301 20 30 CGEDMO C[C@H]1CCCC[N@@H+]1Cc1cc(F)c(C#N)c(F)c1 ZINC001140751384 804504178 /nfs/dbraw/zinc/50/41/78/804504178.db2.gz UQVSMUVWUIMDLY-JTQLQIEISA-N 1 1 250.292 3.211 20 30 CGEDMO C[C@H]1CCCC[N@H+]1Cc1cc(F)c(C#N)c(F)c1 ZINC001140751384 804504185 /nfs/dbraw/zinc/50/41/85/804504185.db2.gz UQVSMUVWUIMDLY-JTQLQIEISA-N 1 1 250.292 3.211 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2cc(F)c(C#N)c(F)c2)[C@H]1C ZINC001140754389 804506737 /nfs/dbraw/zinc/50/67/37/804506737.db2.gz XSIBMIKOMZDKSD-QWRGUYRKSA-N 1 1 264.319 3.457 20 30 CGEDMO C[N@@H+](Cc1c[nH]c2ccncc12)Cc1cccc(C#N)c1 ZINC001140806162 804522783 /nfs/dbraw/zinc/52/27/83/804522783.db2.gz XEZWHMZVHOXNQY-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO CC(C)O[C@@H]1CC[N@H+](Cc2cccc(C#N)c2Cl)C1 ZINC001140813028 804526875 /nfs/dbraw/zinc/52/68/75/804526875.db2.gz SYEGCPCVHJHTOK-CQSZACIVSA-N 1 1 278.783 3.211 20 30 CGEDMO CC(C)O[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2Cl)C1 ZINC001140813028 804526878 /nfs/dbraw/zinc/52/68/78/804526878.db2.gz SYEGCPCVHJHTOK-CQSZACIVSA-N 1 1 278.783 3.211 20 30 CGEDMO N#CC1CCC([N@H+]2CC[C@@H](OCc3ccccc3)C2)CC1 ZINC001256968755 807019502 /nfs/dbraw/zinc/01/95/02/807019502.db2.gz LWIAOUGJIWIURJ-VMWRSERWSA-N 1 1 284.403 3.360 20 30 CGEDMO N#CC1CCC([N@H+]2CCC[C@@H](Oc3ccncc3)C2)CC1 ZINC001256970766 807020968 /nfs/dbraw/zinc/02/09/68/807020968.db2.gz DZIJZPOQQDOWSY-VMBOVVBDSA-N 1 1 285.391 3.007 20 30 CGEDMO CC(=O)c1ccc2c(c1)C[N@@H+](C1CCC(C#N)CC1)CC2 ZINC001256972933 807021195 /nfs/dbraw/zinc/02/11/95/807021195.db2.gz IQNWNFRHWMXABP-UHFFFAOYSA-N 1 1 282.387 3.330 20 30 CGEDMO N#Cc1ccc(CC2CC[NH+](Cc3ncco3)CC2)cc1 ZINC001141007707 804568197 /nfs/dbraw/zinc/56/81/97/804568197.db2.gz XTKICXAEMAWMCU-UHFFFAOYSA-N 1 1 281.359 3.001 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001141163690 804601245 /nfs/dbraw/zinc/60/12/45/804601245.db2.gz OXFSZHSXIZXBKM-QWHCGFSZSA-N 1 1 258.340 3.319 20 30 CGEDMO C=CC[N@@H+](C1CCCCC1)[C@H]1CCN[C@H](C(F)(F)F)C1 ZINC001246948485 804615979 /nfs/dbraw/zinc/61/59/79/804615979.db2.gz KJEUUMKZKXDBJN-KBPBESRZSA-N 1 1 290.373 3.490 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(-n2ccnc2)c1 ZINC001141242732 804622570 /nfs/dbraw/zinc/62/25/70/804622570.db2.gz GILVAVKUUTVPHT-XGWQRUHWSA-N 1 1 292.386 3.139 20 30 CGEDMO CSc1nc(C[N@@H+](C)C[C@H]2CC2(C)C)ccc1C#N ZINC001141941491 804679913 /nfs/dbraw/zinc/67/99/13/804679913.db2.gz MAYQGFBEWZLAIT-GFCCVEGCSA-N 1 1 275.421 3.153 20 30 CGEDMO CSc1nc(C[N@H+]2CC[C@H](C)C[C@@H]2C)ccc1C#N ZINC001141941770 804680506 /nfs/dbraw/zinc/68/05/06/804680506.db2.gz XBIXMRNTJIXQOH-RYUDHWBXSA-N 1 1 275.421 3.296 20 30 CGEDMO CSc1nc(C[N@@H+](CC2CC2)C2CC2)ccc1C#N ZINC001141945974 804682274 /nfs/dbraw/zinc/68/22/74/804682274.db2.gz UPTIJFFSVVMCHK-UHFFFAOYSA-N 1 1 273.405 3.050 20 30 CGEDMO C#CC[C@H]([NH3+])c1nc(-c2cccc(Cl)c2Cl)no1 ZINC001247608889 804779879 /nfs/dbraw/zinc/77/98/79/804779879.db2.gz AJGQVUKSVPCILQ-VIFPVBQESA-N 1 1 282.130 3.067 20 30 CGEDMO C#CC[C@@H]([NH3+])c1nc(-c2cccc(C(F)(F)F)c2C)no1 ZINC001247610389 804779899 /nfs/dbraw/zinc/77/98/99/804779899.db2.gz ZKKBWSQOSVYNKT-LLVKDONJSA-N 1 1 295.264 3.087 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH3+])c1nc(-c2ccc(F)c(C)c2Cl)no1 ZINC001247621645 804781955 /nfs/dbraw/zinc/78/19/55/804781955.db2.gz TXZJIWBTALCUFZ-XLKFXECMSA-N 1 1 293.729 3.197 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cccc(OC(C)C)c2)no1 ZINC001247622557 804782979 /nfs/dbraw/zinc/78/29/79/804782979.db2.gz NJDRQPCVOARFNT-CQSZACIVSA-N 1 1 287.363 3.490 20 30 CGEDMO C[C@H]1CCCC[N@H+]1Cc1c[nH]c2cc(C#N)ccc12 ZINC001142912097 804783373 /nfs/dbraw/zinc/78/33/73/804783373.db2.gz UQYYMNSMPLAJKA-LBPRGKRZSA-N 1 1 253.349 3.414 20 30 CGEDMO C[C@H]1C[C@@H](CF)[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)C1 ZINC001142911862 804783524 /nfs/dbraw/zinc/78/35/24/804783524.db2.gz MCYVPGKHELCEFW-FZMZJTMJSA-N 1 1 271.339 3.219 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)CCC[C@]1(C)O ZINC001142912220 804783709 /nfs/dbraw/zinc/78/37/09/804783709.db2.gz YLSBQHXTXCYLJH-UGSOOPFHSA-N 1 1 297.402 3.022 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)CCC[C@]1(C)O ZINC001142912217 804783781 /nfs/dbraw/zinc/78/37/81/804783781.db2.gz YLSBQHXTXCYLJH-ACJLOTCBSA-N 1 1 297.402 3.022 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2cc(F)ccc2Cl)no1 ZINC001247623021 804784723 /nfs/dbraw/zinc/78/47/23/804784723.db2.gz VDIZPQIDJPTTQS-NSHDSACASA-N 1 1 281.718 3.495 20 30 CGEDMO Cc1cc(NCC[C@H]2CCC[N@H+](C)C2)ccc1CC#N ZINC001165290461 806989304 /nfs/dbraw/zinc/98/93/04/806989304.db2.gz VACICHCTYDALDI-OAHLLOKOSA-N 1 1 271.408 3.205 20 30 CGEDMO CC(C)(C)c1cccc(C[N@@H+]2CCC[C@@H](C#N)C2)c1O ZINC001143111554 804803920 /nfs/dbraw/zinc/80/39/20/804803920.db2.gz COGOJFFRBOMKBI-ZDUSSCGKSA-N 1 1 272.392 3.425 20 30 CGEDMO CC(C)(C)c1cccc(C[N@H+]2CCC[C@@H](C#N)C2)c1O ZINC001143111554 804803930 /nfs/dbraw/zinc/80/39/30/804803930.db2.gz COGOJFFRBOMKBI-ZDUSSCGKSA-N 1 1 272.392 3.425 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)c1F ZINC001143167221 804814063 /nfs/dbraw/zinc/81/40/63/804814063.db2.gz RLIDZHNWXFRRTQ-PHIMTYICSA-N 1 1 298.283 3.314 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)c1F ZINC001143167221 804814072 /nfs/dbraw/zinc/81/40/72/804814072.db2.gz RLIDZHNWXFRRTQ-PHIMTYICSA-N 1 1 298.283 3.314 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2cnc(C)cc2C(F)(F)F)no1 ZINC001247963911 804857706 /nfs/dbraw/zinc/85/77/06/804857706.db2.gz XEJJBQNWKADAJZ-JTQLQIEISA-N 1 1 298.268 3.035 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)nc1 ZINC001144163188 804946816 /nfs/dbraw/zinc/94/68/16/804946816.db2.gz SZIILAHDLSNBOB-GOEBONIOSA-N 1 1 255.365 3.108 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCC[C@@](C)(O)[C@H](C)C1 ZINC001248748728 804982295 /nfs/dbraw/zinc/98/22/95/804982295.db2.gz UMEUDUQSVGEDBO-RDTXWAMCSA-N 1 1 286.419 3.104 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CC[C@@H](OC(C)C)C1 ZINC001248752686 804984561 /nfs/dbraw/zinc/98/45/61/804984561.db2.gz WGIHVPLZJMXJGD-QGZVFWFLSA-N 1 1 272.392 3.120 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CC[C@H](OCc3ccccc3)C2)cc1 ZINC001144573629 805009136 /nfs/dbraw/zinc/00/91/36/805009136.db2.gz NSRHEVQXEJTKJJ-FQEVSTJZSA-N 1 1 291.394 3.459 20 30 CGEDMO C=CCN(CC1CCCCC1)C(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001146478245 805069921 /nfs/dbraw/zinc/06/99/21/805069921.db2.gz PSCXOSIZHDYIMD-MRXNPFEDSA-N 1 1 296.430 3.015 20 30 CGEDMO CCCC[N@@H+](CCC)Cc1cnn2ccc(C#N)cc12 ZINC001249099662 805091021 /nfs/dbraw/zinc/09/10/21/805091021.db2.gz SRGKFTFNDOMZFR-UHFFFAOYSA-N 1 1 270.380 3.218 20 30 CGEDMO CCCCCCC[N@H+]1CCC2(CN(C(=O)C(C)C)C2)C1 ZINC001147006081 805101095 /nfs/dbraw/zinc/10/10/95/805101095.db2.gz QMHWCZVXTNSXLK-UHFFFAOYSA-N 1 1 280.456 3.147 20 30 CGEDMO C=CCCC(=O)N1CC2(C1)CC[N@H+](CC/C=C/CCC)C2 ZINC001147166035 805113405 /nfs/dbraw/zinc/11/34/05/805113405.db2.gz QEKWJZBKMDIMCC-BQYQJAHWSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC2(C1)CC[N@H+](C[C@H](C)CC)C2 ZINC001147652441 805142264 /nfs/dbraw/zinc/14/22/64/805142264.db2.gz KAOIDIGCVUUPJD-OAHLLOKOSA-N 1 1 292.467 3.169 20 30 CGEDMO C[C@]1(CF)CC[N@@H+](Cc2cc3ccc(C#N)cc3[nH]2)C1 ZINC001249427024 805146433 /nfs/dbraw/zinc/14/64/33/805146433.db2.gz NYTWQNGRTHDKCL-MRXNPFEDSA-N 1 1 271.339 3.221 20 30 CGEDMO C[C@H]1C[C@@H](CF)[N@@H+](Cc2cc3ccc(C#N)cc3[nH]2)C1 ZINC001249427336 805147550 /nfs/dbraw/zinc/14/75/50/805147550.db2.gz ZMVMOAWRINWGRO-NHYWBVRUSA-N 1 1 271.339 3.219 20 30 CGEDMO CC(C)(C)c1c[nH]c(C[NH+]2CCC(C)(C#N)CC2)c1 ZINC001249479739 805159452 /nfs/dbraw/zinc/15/94/52/805159452.db2.gz PJKCTLHCLVTZLR-UHFFFAOYSA-N 1 1 259.397 3.438 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](Cc2cc(F)cc3cc[nH]c32)C1 ZINC001249526048 805166666 /nfs/dbraw/zinc/16/66/66/805166666.db2.gz NIXZNJCWQXUSEC-HNNXBMFYSA-N 1 1 257.312 3.043 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](Cc2cc(F)cc3cc[nH]c32)C1 ZINC001249526048 805166673 /nfs/dbraw/zinc/16/66/73/805166673.db2.gz NIXZNJCWQXUSEC-HNNXBMFYSA-N 1 1 257.312 3.043 20 30 CGEDMO C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@H](C)CC(C)(C)C)C2)C1 ZINC001148390627 805179268 /nfs/dbraw/zinc/17/92/68/805179268.db2.gz HNMVBQIEUACJRF-OAHLLOKOSA-N 1 1 292.467 3.169 20 30 CGEDMO C[N@H+](CCC(=O)c1ccccc1)Cc1cccc(C#N)c1F ZINC001249687956 805213170 /nfs/dbraw/zinc/21/31/70/805213170.db2.gz VYYYFVXBKHCYFG-UHFFFAOYSA-N 1 1 296.345 3.402 20 30 CGEDMO C[N@@H+](CCC(=O)c1ccccc1)Cc1cccc(C#N)c1F ZINC001249687956 805213176 /nfs/dbraw/zinc/21/31/76/805213176.db2.gz VYYYFVXBKHCYFG-UHFFFAOYSA-N 1 1 296.345 3.402 20 30 CGEDMO CC[N@@H+](Cc1ccccc1O)Cc1cccc(C#N)c1F ZINC001249691682 805213648 /nfs/dbraw/zinc/21/36/48/805213648.db2.gz QUJGBWJVHCRLMZ-UHFFFAOYSA-N 1 1 284.334 3.425 20 30 CGEDMO CN(C)c1ccc(C[N@H+](C)Cc2cccc(C#N)c2F)cc1 ZINC001249691433 805213815 /nfs/dbraw/zinc/21/38/15/805213815.db2.gz IZKRWHBPECQETA-UHFFFAOYSA-N 1 1 297.377 3.395 20 30 CGEDMO CN(C)c1ccc(C[N@@H+](C)Cc2cccc(C#N)c2F)cc1 ZINC001249691433 805213820 /nfs/dbraw/zinc/21/38/20/805213820.db2.gz IZKRWHBPECQETA-UHFFFAOYSA-N 1 1 297.377 3.395 20 30 CGEDMO C=CC1(CC(=O)N2CC[N@H+](CC)[C@@H](C)C2)CCCCC1 ZINC001151039473 805280387 /nfs/dbraw/zinc/28/03/87/805280387.db2.gz NPWQCMPMEWEBFC-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO CN(C)c1cc(F)cc(C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC001249955854 805324459 /nfs/dbraw/zinc/32/44/59/805324459.db2.gz XXYCXQHLYBYRQE-CYBMUJFWSA-N 1 1 275.371 3.017 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)C(C)C ZINC001152334091 805346733 /nfs/dbraw/zinc/34/67/33/805346733.db2.gz YWACZWWCRWUFNO-HUUCEWRRSA-N 1 1 268.445 3.071 20 30 CGEDMO C#CCCCC(=O)NC[C@@H](C)[N@H+](CC)CC/C=C/CCC ZINC001153025410 805380980 /nfs/dbraw/zinc/38/09/80/805380980.db2.gz VMUOIAQQFHKDHA-SXSDINLZSA-N 1 1 292.467 3.363 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)/C=C(\C)CC ZINC001153189731 805388117 /nfs/dbraw/zinc/38/81/17/805388117.db2.gz ZFTXBOQYHQZKBL-ATGUSINASA-N 1 1 266.429 3.136 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)CCC(=C)C ZINC001153625920 805408181 /nfs/dbraw/zinc/40/81/81/805408181.db2.gz PKOMADAFWJRLDI-OAHLLOKOSA-N 1 1 266.429 3.136 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)c1ccc(CC)o1 ZINC001154049831 805430533 /nfs/dbraw/zinc/43/05/33/805430533.db2.gz FKQGRXVVENCLFI-GFCCVEGCSA-N 1 1 298.814 3.035 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)c1ccc(CC)o1 ZINC001154049831 805430536 /nfs/dbraw/zinc/43/05/36/805430536.db2.gz FKQGRXVVENCLFI-GFCCVEGCSA-N 1 1 298.814 3.035 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)C1(CCC)CCC1 ZINC001154712040 805479776 /nfs/dbraw/zinc/47/97/76/805479776.db2.gz NCJIVNOUGKFUJK-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)CC ZINC001154963478 805515591 /nfs/dbraw/zinc/51/55/91/805515591.db2.gz MLDSTSRFZSIQDQ-GFCCVEGCSA-N 1 1 274.836 3.002 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)CC ZINC001154963478 805515595 /nfs/dbraw/zinc/51/55/95/805515595.db2.gz MLDSTSRFZSIQDQ-GFCCVEGCSA-N 1 1 274.836 3.002 20 30 CGEDMO C#CCCCNc1ccc([C@H]2CCCC[N@@H+]2CC)cn1 ZINC001155018894 805523541 /nfs/dbraw/zinc/52/35/41/805523541.db2.gz AKRDDVJYJDAMEK-MRXNPFEDSA-N 1 1 271.408 3.454 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)C1(C)CC=CC1 ZINC001155028235 805526193 /nfs/dbraw/zinc/52/61/93/805526193.db2.gz SXMZULMWGLFRPK-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@](C)(C=C)CC ZINC001155072949 805534918 /nfs/dbraw/zinc/53/49/18/805534918.db2.gz PTGDHSPLNJYGJM-NVXWUHKLSA-N 1 1 280.456 3.382 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001155120742 805542979 /nfs/dbraw/zinc/54/29/79/805542979.db2.gz UWBHUCMFRQZPQX-YCPHGPKFSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001155120742 805542985 /nfs/dbraw/zinc/54/29/85/805542985.db2.gz UWBHUCMFRQZPQX-YCPHGPKFSA-N 1 1 298.858 3.146 20 30 CGEDMO CC(C)(C)C#CCN[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256908288 807006273 /nfs/dbraw/zinc/00/62/73/807006273.db2.gz MBQHKDNBKLXFFB-HNNXBMFYSA-N 1 1 262.441 3.033 20 30 CGEDMO CC(C)(C)C#CC[NH2+][C@H]1CCCN(C2CCCC2)C1 ZINC001256908288 807006276 /nfs/dbraw/zinc/00/62/76/807006276.db2.gz MBQHKDNBKLXFFB-HNNXBMFYSA-N 1 1 262.441 3.033 20 30 CGEDMO CN(C)CCC[N@H+](C)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257015263 807028045 /nfs/dbraw/zinc/02/80/45/807028045.db2.gz HLLGTWUNUHGNGE-UHFFFAOYSA-N 1 1 299.462 3.468 20 30 CGEDMO CN(C)CCC[N@@H+](C)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257015263 807028052 /nfs/dbraw/zinc/02/80/52/807028052.db2.gz HLLGTWUNUHGNGE-UHFFFAOYSA-N 1 1 299.462 3.468 20 30 CGEDMO C[C@@H]1CC[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)C[C@@H]1O ZINC001257017031 807028373 /nfs/dbraw/zinc/02/83/73/807028373.db2.gz NATZZVQCRNSXDC-UJPJLTBQSA-N 1 1 298.430 3.287 20 30 CGEDMO C=CCCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001167341798 807184282 /nfs/dbraw/zinc/18/42/82/807184282.db2.gz LDVSVAGUXCXRNR-AWEZNQCLSA-N 1 1 282.428 3.284 20 30 CGEDMO Cc1cccc([C@H](O)C[N@@H+](CCC#N)CCC(C)C)c1 ZINC001167558071 807206549 /nfs/dbraw/zinc/20/65/49/807206549.db2.gz FCQGKJJKWRWEQC-QGZVFWFLSA-N 1 1 274.408 3.290 20 30 CGEDMO Cc1cccc([C@H](O)C[N@H+](CCC#N)CCC(C)C)c1 ZINC001167558071 807206558 /nfs/dbraw/zinc/20/65/58/807206558.db2.gz FCQGKJJKWRWEQC-QGZVFWFLSA-N 1 1 274.408 3.290 20 30 CGEDMO C[N@@H+](CCC#N)C1CCC(OCc2ccccc2)CC1 ZINC001257828621 807222950 /nfs/dbraw/zinc/22/29/50/807222950.db2.gz HXUQRPHWXCURLV-UHFFFAOYSA-N 1 1 272.392 3.360 20 30 CGEDMO CCc1cccc(NCCc2ccc(C#N)cc2)[nH+]1 ZINC001167679261 807226495 /nfs/dbraw/zinc/22/64/95/807226495.db2.gz KNNHPNPAGFIQPT-UHFFFAOYSA-N 1 1 251.333 3.170 20 30 CGEDMO C=C1C[C@@H]2CC([NH2+]C(C)(C)C(C)(C)N)C[C@H](C1)C2 ZINC001257887685 807239139 /nfs/dbraw/zinc/23/91/39/807239139.db2.gz FOQSNITXTAPOSX-PBWFPOADSA-N 1 1 250.430 3.227 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CCCC[C@H]3C(=O)OC)C[C@H](C1)C2 ZINC001257891443 807241367 /nfs/dbraw/zinc/24/13/67/807241367.db2.gz JCZXYBGZIZOLNW-QXULXFAOSA-N 1 1 277.408 3.149 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCn4cccc4C3)C[C@H](C1)C2 ZINC001257892990 807242699 /nfs/dbraw/zinc/24/26/99/807242699.db2.gz JCHXIYBFNLKOOW-FKEKPDDDSA-N 1 1 256.393 3.439 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCC[C@@H](n4ccnn4)C3)C[C@H](C1)C2 ZINC001257894544 807244007 /nfs/dbraw/zinc/24/40/07/807244007.db2.gz ZELJVHKRCDULHS-LVYZTWJOSA-N 1 1 286.423 3.050 20 30 CGEDMO CCC[N@@H+](CCC#N)C1CCC(CC(=O)OCC)CC1 ZINC001258035272 807269786 /nfs/dbraw/zinc/26/97/86/807269786.db2.gz JHIXHWGRDXUETA-UHFFFAOYSA-N 1 1 280.412 3.124 20 30 CGEDMO CCOC(=O)CC1CCC([N@H+]2CCC[C@H](C#N)CC2)CC1 ZINC001258034702 807270164 /nfs/dbraw/zinc/27/01/64/807270164.db2.gz ZIYLDIQKDFWWKW-PCKAHOCUSA-N 1 1 292.423 3.124 20 30 CGEDMO CCCCCCC[C@H](C)[NH2+][C@@H](C(=O)OC)C1CCOCC1 ZINC001258042605 807272451 /nfs/dbraw/zinc/27/24/51/807272451.db2.gz RMFHRBQBDPSFGT-GOEBONIOSA-N 1 1 299.455 3.293 20 30 CGEDMO CCCCCCC[C@@H](C)[NH2+][C@@H](C(=O)OC)C1CCOCC1 ZINC001258042604 807272974 /nfs/dbraw/zinc/27/29/74/807272974.db2.gz RMFHRBQBDPSFGT-GDBMZVCRSA-N 1 1 299.455 3.293 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CCC[C@@]2(CCNC2=O)C1 ZINC001258043289 807274453 /nfs/dbraw/zinc/27/44/53/807274453.db2.gz AZZRQYISLWXJCQ-DOTOQJQBSA-N 1 1 280.456 3.338 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1CCOC[C@@H]1CCC(=O)OC ZINC001258052287 807277959 /nfs/dbraw/zinc/27/79/59/807277959.db2.gz NXWRKKWAOGSLPP-CVEARBPZSA-N 1 1 299.455 3.389 20 30 CGEDMO C#CCCC[NH2+]C1C[C@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168007982 807298708 /nfs/dbraw/zinc/29/87/08/807298708.db2.gz VXRGYCXLUTVGFV-IRXDYDNUSA-N 1 1 284.447 3.431 20 30 CGEDMO C[C@@H]1C[C@@H](N2CC[C@H](C#N)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168058655 807302218 /nfs/dbraw/zinc/30/22/18/807302218.db2.gz BMJNWFDTOMIUAO-UKBAYJJMSA-N 1 1 297.446 3.273 20 30 CGEDMO C[NH+](C)C1CCC(N(CCC#N)Cc2ccccc2)CC1 ZINC001168315709 807380628 /nfs/dbraw/zinc/38/06/28/807380628.db2.gz LEJTZDVUHJTBRO-UHFFFAOYSA-N 1 1 285.435 3.275 20 30 CGEDMO C=CC[C@@H]([NH2+]C1CCC(CCC)CC1)C(=O)OC ZINC001258528969 807486546 /nfs/dbraw/zinc/48/65/46/807486546.db2.gz GLBKCUNQZZKDLA-JXQTWKCFSA-N 1 1 253.386 3.053 20 30 CGEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+]([C@@H](C)CC1CC1)CCO2 ZINC001258463297 807465737 /nfs/dbraw/zinc/46/57/37/807465737.db2.gz CYWBSRGYLJJHTM-RYQLBKOJSA-N 1 1 293.451 3.249 20 30 CGEDMO CC[N@@H+](CCC#N)[C@@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168655663 807469061 /nfs/dbraw/zinc/46/90/61/807469061.db2.gz ZULMRAPNFVXAJU-NVXWUHKLSA-N 1 1 288.391 3.151 20 30 CGEDMO C#C[C@H]1CCC[N@H+](C2CCN(c3ccccc3)CC2)C1 ZINC001258514588 807482098 /nfs/dbraw/zinc/48/20/98/807482098.db2.gz MRCIRKUORHFYKC-INIZCTEOSA-N 1 1 268.404 3.001 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168741586 807501430 /nfs/dbraw/zinc/50/14/30/807501430.db2.gz ZTVZXTFFFOSIIU-OCCSQVGLSA-N 1 1 259.780 3.152 20 30 CGEDMO C=C(C)C[N@H+](CC)C1CCN(C(=O)c2ccccc2)CC1 ZINC001258646137 807521011 /nfs/dbraw/zinc/52/10/11/807521011.db2.gz LFEOVCLFWIDFQO-UHFFFAOYSA-N 1 1 286.419 3.189 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169028944 807555465 /nfs/dbraw/zinc/55/54/65/807555465.db2.gz SXSABENUQQDKFG-KBPBESRZSA-N 1 1 256.390 3.334 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCN(C(=O)OC(C)(C)C)CC12CC2 ZINC001258724657 807572132 /nfs/dbraw/zinc/57/21/32/807572132.db2.gz BSPPGGBUYNIXSR-CQSZACIVSA-N 1 1 294.439 3.426 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CCc2cc(C(=O)OC)ccc2C1 ZINC001258725161 807573245 /nfs/dbraw/zinc/57/32/45/807573245.db2.gz IROQCCZBXHDYLL-CYBMUJFWSA-N 1 1 273.376 3.186 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001258724798 807573853 /nfs/dbraw/zinc/57/38/53/807573853.db2.gz FBGAKRBPMDRCEH-RWMBFGLXSA-N 1 1 279.346 3.366 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@]2(CCC(=O)N2CC=C)CC1 ZINC001258728606 807575669 /nfs/dbraw/zinc/57/56/69/807575669.db2.gz PIUNQQQBFPNHHZ-WMZOPIPTSA-N 1 1 290.451 3.374 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCO[C@]2(CCC[C@H]2COCC=C)C1 ZINC001258730198 807576448 /nfs/dbraw/zinc/57/64/48/807576448.db2.gz BUCRZZVTOFHRCA-OKZBNKHCSA-N 1 1 293.451 3.415 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)Cc1ccc(OC)c(OC)c1 ZINC001258730705 807577647 /nfs/dbraw/zinc/57/76/47/807577647.db2.gz MHHRDHKKJBBSSO-ZDUSSCGKSA-N 1 1 263.381 3.490 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCC[C@@H](C(=O)OCC)C1 ZINC001258731990 807578036 /nfs/dbraw/zinc/57/80/36/807578036.db2.gz GXQQAQDBRMLGTC-UONOGXRCSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](CC(=O)OCC)C1CCCC1 ZINC001258732961 807578781 /nfs/dbraw/zinc/57/87/81/807578781.db2.gz FNAJMLJZIUECPM-CYBMUJFWSA-N 1 1 253.386 3.149 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCc2ccc(C(=O)OC)cc2C1 ZINC001258734633 807580453 /nfs/dbraw/zinc/58/04/53/807580453.db2.gz HCSNDPCMUNIQJR-CYBMUJFWSA-N 1 1 273.376 3.186 20 30 CGEDMO CCCCCCC[N@@H+](CC)[C@@H]1CC[C@H](C(=O)OCC)OC1 ZINC001169394620 807638575 /nfs/dbraw/zinc/63/85/75/807638575.db2.gz YHXAFDBPTBOOEX-HZPDHXFCSA-N 1 1 299.455 3.389 20 30 CGEDMO CC[C@H](Cc1ccccc1)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001258846332 807656227 /nfs/dbraw/zinc/65/62/27/807656227.db2.gz OZVSGIVECMMDIB-HZPDHXFCSA-N 1 1 287.428 3.282 20 30 CGEDMO Cc1cc2c[nH+]c(NC34CCC(C#N)(CC3)CC4)nc2[nH]1 ZINC001169743697 807701634 /nfs/dbraw/zinc/70/16/34/807701634.db2.gz LKNFRZTUAWEZHO-UHFFFAOYSA-N 1 1 281.363 3.246 20 30 CGEDMO C[C@@H]1C[N@H+](C2CCC(C#N)(c3ccccc3)CC2)CCC1=O ZINC001170378924 807833020 /nfs/dbraw/zinc/83/30/20/807833020.db2.gz NVYCYLGZDRMRKE-LSJNQWAISA-N 1 1 296.414 3.301 20 30 CGEDMO C=C[C@@H](CC)CC(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC001262354748 807852527 /nfs/dbraw/zinc/85/25/27/807852527.db2.gz VZTIXNMPUVQXQJ-ZDUSSCGKSA-N 1 1 284.363 3.117 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1C[C@@]1(C)Br ZINC001262355456 807852914 /nfs/dbraw/zinc/85/29/14/807852914.db2.gz VHRPSFVZCLJHJR-UONOGXRCSA-N 1 1 293.208 3.164 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCc2cccc(F)c2C1 ZINC001171000922 807956062 /nfs/dbraw/zinc/95/60/62/807956062.db2.gz NMEXSNKMIRFDKJ-HNKHHVNMSA-N 1 1 284.378 3.450 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@H]2CCc3cccc(F)c3C2)C1 ZINC001171002224 807956737 /nfs/dbraw/zinc/95/67/37/807956737.db2.gz SUFIRTHIUBIFIB-ZFWWWQNUSA-N 1 1 257.352 3.028 20 30 CGEDMO N#C[C@@H]1CCC[N@H+]([C@H]2CCc3cccc(F)c3C2)CC1 ZINC001171002283 807956760 /nfs/dbraw/zinc/95/67/60/807956760.db2.gz UUIROSLDHRPXIC-HIFRSBDPSA-N 1 1 272.367 3.309 20 30 CGEDMO CC(=O)Nc1cc[nH+]c(N[C@@H]2CCc3c2cccc3C#N)c1 ZINC001171060017 807976933 /nfs/dbraw/zinc/97/69/33/807976933.db2.gz RSAIQQLATYGDBR-MRXNPFEDSA-N 1 1 292.342 3.011 20 30 CGEDMO COCC#CC[N@H+]1CC[C@H](CC(C)(C)C)C1(C)C ZINC001171070580 807978704 /nfs/dbraw/zinc/97/87/04/807978704.db2.gz YWAZRSWPONQANH-CQSZACIVSA-N 1 1 251.414 3.173 20 30 CGEDMO CC[N@@H+](CCOc1cccc(C#N)c1)C1CC(C)(C)C1 ZINC001171086760 807979652 /nfs/dbraw/zinc/97/96/52/807979652.db2.gz JRYRWYCHFBZNCB-UHFFFAOYSA-N 1 1 272.392 3.448 20 30 CGEDMO C=C(CC)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001263731556 807999222 /nfs/dbraw/zinc/99/92/22/807999222.db2.gz IPXFLAWFJGWGTK-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H](F)CC1 ZINC001171203712 808008678 /nfs/dbraw/zinc/00/86/78/808008678.db2.gz PGWROKOWIBIKOC-CZUORRHYSA-N 1 1 260.356 3.313 20 30 CGEDMO CC[N@@H+](Cc1cccnc1)[C@H](C)Cc1cccc(C#N)c1 ZINC001171221652 808010569 /nfs/dbraw/zinc/01/05/69/808010569.db2.gz RKCCONZZYPRUMI-OAHLLOKOSA-N 1 1 279.387 3.406 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H](CF)C1 ZINC001171221533 808011212 /nfs/dbraw/zinc/01/12/12/808011212.db2.gz ORPRUIPAEUFLID-BBRMVZONSA-N 1 1 260.356 3.171 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C(CC)CC)C(C)(C)[C@H]21 ZINC001264030967 808029631 /nfs/dbraw/zinc/02/96/31/808029631.db2.gz ZJSJHZHJXNSRFL-OAGGEKHMSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CC2(C)CC2)[C@H]1CC ZINC001264058100 808031244 /nfs/dbraw/zinc/03/12/44/808031244.db2.gz CLCSQCXERVIAAC-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCOc1ccccc1[C@H](C)Nc1nc(N(C)C)cc[nH+]1 ZINC001171370521 808037870 /nfs/dbraw/zinc/03/78/70/808037870.db2.gz WPSKRJZFTNIHDV-ZDUSSCGKSA-N 1 1 298.390 3.281 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C2C(C)(C)C2(C)C)[C@H]1C ZINC001264136610 808039664 /nfs/dbraw/zinc/03/96/64/808039664.db2.gz CBLFVVBJUBOKOV-KGLIPLIRSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](C)CC ZINC001264179304 808045288 /nfs/dbraw/zinc/04/52/88/808045288.db2.gz QCAFXXOWSDABCI-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1cocc1C ZINC001264184442 808045607 /nfs/dbraw/zinc/04/56/07/808045607.db2.gz SPQNWANTZFXWCQ-HNNXBMFYSA-N 1 1 290.407 3.091 20 30 CGEDMO CC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CCCCCC ZINC001264745592 808091927 /nfs/dbraw/zinc/09/19/27/808091927.db2.gz LYUCWFVBBJGMAG-KRWDZBQOSA-N 1 1 292.467 3.293 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC001171574274 808101949 /nfs/dbraw/zinc/10/19/49/808101949.db2.gz ZUWUPIRBLKQGOY-CQSZACIVSA-N 1 1 299.805 3.371 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC001171574274 808101953 /nfs/dbraw/zinc/10/19/53/808101953.db2.gz ZUWUPIRBLKQGOY-CQSZACIVSA-N 1 1 299.805 3.371 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)C[C@H]1CC[C@H](C)C1 ZINC001265127662 808110556 /nfs/dbraw/zinc/11/05/56/808110556.db2.gz GVVNROBWJJAUSX-HOTGVXAUSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC[N@@H+](CC)CCCNC(=O)c1ccc2ccccc2c1 ZINC001265143495 808113894 /nfs/dbraw/zinc/11/38/94/808113894.db2.gz JPFXLJVNICJPCU-UHFFFAOYSA-N 1 1 296.414 3.468 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H](NC(=O)c2cc[nH]c2)C1 ZINC001265214844 808120754 /nfs/dbraw/zinc/12/07/54/808120754.db2.gz QDZMFPPBFFPDLZ-MRXNPFEDSA-N 1 1 291.439 3.179 20 30 CGEDMO CC(C)C[C@H](C#N)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171735461 808128550 /nfs/dbraw/zinc/12/85/50/808128550.db2.gz WIZSDFSROAULPI-JQHSSLGASA-N 1 1 285.435 3.177 20 30 CGEDMO C=CCCC[N@H+](CC(=O)OC(C)(C)C)CC1CC1 ZINC001171756572 808131616 /nfs/dbraw/zinc/13/16/16/808131616.db2.gz OFGOBZNPTKFLSW-UHFFFAOYSA-N 1 1 253.386 3.006 20 30 CGEDMO CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)CCCC)C1 ZINC001265388508 808137924 /nfs/dbraw/zinc/13/79/24/808137924.db2.gz GDEDGSIOAANAIA-SJORKVTESA-N 1 1 292.467 3.006 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](CCC)C(C)C)C1 ZINC001265396430 808140162 /nfs/dbraw/zinc/14/01/62/808140162.db2.gz DBWKYXYRSLQSRO-IRXDYDNUSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CC[N@@H+](CC1CCC2(CC2)CC1)[C@@H](C)COC ZINC001171915786 808153686 /nfs/dbraw/zinc/15/36/86/808153686.db2.gz HEAIUYWTJCNWFR-AWEZNQCLSA-N 1 1 251.414 3.480 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCCC2(CCCC2)CC1 ZINC001171915389 808153917 /nfs/dbraw/zinc/15/39/17/808153917.db2.gz DOZOGOZKEKFYOT-HNNXBMFYSA-N 1 1 251.414 3.360 20 30 CGEDMO C=CC[C@H]([NH2+][C@@H]1CCCC12CCCCC2)C(=O)OC ZINC001171932229 808154818 /nfs/dbraw/zinc/15/48/18/808154818.db2.gz WFQFSHVAPJNNBY-UONOGXRCSA-N 1 1 265.397 3.197 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](CNC(=O)C[C@H]2C=CCCC2)C1 ZINC001265584898 808156545 /nfs/dbraw/zinc/15/65/45/808156545.db2.gz WVFXFNGHPFRJMN-DLBZAZTESA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)CC(C)(C)C2CC2)C1 ZINC001265582972 808156960 /nfs/dbraw/zinc/15/69/60/808156960.db2.gz XVRNFEZCMJJZJW-OAHLLOKOSA-N 1 1 292.467 3.217 20 30 CGEDMO CC(C)(C#N)N[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171961751 808159982 /nfs/dbraw/zinc/15/99/82/808159982.db2.gz AOOYYXZSKDYOGT-INIZCTEOSA-N 1 1 285.435 3.321 20 30 CGEDMO C#C[C@H](C)N[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171979683 808163225 /nfs/dbraw/zinc/16/32/25/808163225.db2.gz QBSRSAKZLBHFCM-RDJZCZTQSA-N 1 1 270.420 3.041 20 30 CGEDMO C#C[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171979683 808163228 /nfs/dbraw/zinc/16/32/28/808163228.db2.gz QBSRSAKZLBHFCM-RDJZCZTQSA-N 1 1 270.420 3.041 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC ZINC001265693236 808169351 /nfs/dbraw/zinc/16/93/51/808169351.db2.gz GOOACDOTQKGXAP-HOTGVXAUSA-N 1 1 278.440 3.208 20 30 CGEDMO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC1(c3ccc(C#N)cc3)CC1)C2 ZINC001172109243 808178225 /nfs/dbraw/zinc/17/82/25/808178225.db2.gz IXAOKJAXJVGTSS-BCDXTJNWSA-N 1 1 295.430 3.152 20 30 CGEDMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC1(c3ccc(C#N)cc3)CC1)C2 ZINC001172109243 808178227 /nfs/dbraw/zinc/17/82/27/808178227.db2.gz IXAOKJAXJVGTSS-BCDXTJNWSA-N 1 1 295.430 3.152 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)[C@@]1(C)C=CCC1 ZINC001265904264 808191586 /nfs/dbraw/zinc/19/15/86/808191586.db2.gz CYYFALWWQFKGMT-WBVHZDCISA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)C[C@H](C)CCC)C1 ZINC001266093854 808208901 /nfs/dbraw/zinc/20/89/01/808208901.db2.gz MAVXXBUZUWYAKS-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]([N@H+](C)C[C@H](C)CC)C1 ZINC001266102457 808211233 /nfs/dbraw/zinc/21/12/33/808211233.db2.gz KOBUIWFFZUSDNT-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C)CCCC)C1 ZINC001266099195 808211261 /nfs/dbraw/zinc/21/12/61/808211261.db2.gz AWGCTBNARBYNCS-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H](COCC2CC2)C1 ZINC001172311177 808223388 /nfs/dbraw/zinc/22/33/88/808223388.db2.gz QGVZFMMTZFLTLC-HNAYVOBHSA-N 1 1 298.430 3.238 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H]1c1ncccn1 ZINC001172317063 808226392 /nfs/dbraw/zinc/22/63/92/808226392.db2.gz PFPWSIDSYZCFTC-WMLDXEAASA-N 1 1 292.386 3.116 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@](C)(CF)C1 ZINC001172316277 808226421 /nfs/dbraw/zinc/22/64/21/808226421.db2.gz QZNQOEHFCFMDLR-BBRMVZONSA-N 1 1 260.356 3.171 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC=CCC1 ZINC001266198244 808226705 /nfs/dbraw/zinc/22/67/05/808226705.db2.gz BYUKILXZTJLNDM-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)CC1(C)CC1 ZINC001266227741 808229989 /nfs/dbraw/zinc/22/99/89/808229989.db2.gz WGHVRXMQGGXLAD-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO CC[N@@H+](Cc1ccccn1)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172320505 808230443 /nfs/dbraw/zinc/23/04/43/808230443.db2.gz VIMIGNFUXKYPLI-OAHLLOKOSA-N 1 1 279.387 3.406 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)CC(CC)CC)C1 ZINC001266242520 808231767 /nfs/dbraw/zinc/23/17/67/808231767.db2.gz DCLXMQMBZFHNQR-INIZCTEOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H]1CCC[N@@H+](CCC(C)C)C1 ZINC001266237235 808232405 /nfs/dbraw/zinc/23/24/05/808232405.db2.gz RQJDODDVYDSUFT-CVEARBPZSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@H+](CC)CCNC(=O)[C@@]1(C)CCC[C@@H]1CC ZINC001266398841 808255732 /nfs/dbraw/zinc/25/57/32/808255732.db2.gz FDPYYJGDSQHYKB-RDJZCZTQSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)c1sc(C)cc1C ZINC001266392490 808256250 /nfs/dbraw/zinc/25/62/50/808256250.db2.gz JQZNPCHKGGTDNQ-UHFFFAOYSA-N 1 1 294.464 3.383 20 30 CGEDMO C=CC[N@@H+](CC)CCNC(=O)c1cccc2ccccc21 ZINC001266434603 808264318 /nfs/dbraw/zinc/26/43/18/808264318.db2.gz GVSAZIJKJJWBQW-UHFFFAOYSA-N 1 1 282.387 3.078 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@H]1CCCN(C(=O)C2CC2)C1 ZINC001266448014 808267688 /nfs/dbraw/zinc/26/76/88/808267688.db2.gz FIMSMMXAIAAZSV-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)C2CCCCC2)C1 ZINC001266449251 808267775 /nfs/dbraw/zinc/26/77/75/808267775.db2.gz ZYSPMOJCQAHEGR-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1CCC[N@H+]1CC1CC(C)(C)C1 ZINC001266464903 808270723 /nfs/dbraw/zinc/27/07/23/808270723.db2.gz KWMXLKVWBNAEKJ-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](CC)CCC)C1 ZINC001266469291 808271509 /nfs/dbraw/zinc/27/15/09/808271509.db2.gz IYIYHWVVFLCBCS-IAGOWNOFSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(C)C ZINC001266486831 808273837 /nfs/dbraw/zinc/27/38/37/808273837.db2.gz VPPYPTHBNTVGBV-IYBDPMFKSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CCC1 ZINC001266481533 808274032 /nfs/dbraw/zinc/27/40/32/808274032.db2.gz VLODSPMHOQCHPE-BHYGNILZSA-N 1 1 290.451 3.207 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@H](CC)C(C)(C)C ZINC001266487988 808274060 /nfs/dbraw/zinc/27/40/60/808274060.db2.gz AFARPYXEVJCXOZ-HOTGVXAUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CCC1 ZINC001266481534 808274570 /nfs/dbraw/zinc/27/45/70/808274570.db2.gz VLODSPMHOQCHPE-OIISXLGYSA-N 1 1 290.451 3.207 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)C(CC)CC)C1 ZINC001266520503 808280715 /nfs/dbraw/zinc/28/07/15/808280715.db2.gz OIMFJRSCANYHDU-CABCVRRESA-N 1 1 280.456 3.073 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC001266526378 808281981 /nfs/dbraw/zinc/28/19/81/808281981.db2.gz USNKJUGCJKBDJK-OWCLPIDISA-N 1 1 280.456 3.051 20 30 CGEDMO C=CCN1CC[C@@]2(CCC[N@H+]([C@H](CC)CC(C)C)C2)C1=O ZINC001172403516 808292196 /nfs/dbraw/zinc/29/21/96/808292196.db2.gz ULHDBPFXHWGANN-SJLPKXTDSA-N 1 1 292.467 3.312 20 30 CGEDMO CC[C@H](CC(C)C)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001172404128 808292303 /nfs/dbraw/zinc/29/23/03/808292303.db2.gz YXBRCFVTDPGAHS-OLZOCXBDSA-N 1 1 253.411 3.085 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]2C[N@@H+](CC(=C)C)CC[C@@H]21 ZINC001266660342 808302870 /nfs/dbraw/zinc/30/28/70/808302870.db2.gz WMUCLFHXPZVTOM-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC[N@H+](CC[C@H](C)F)C1 ZINC001266758418 808314720 /nfs/dbraw/zinc/31/47/20/808314720.db2.gz SKFFVNHBAHJGOI-GJZGRUSLSA-N 1 1 298.446 3.165 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C1(CC)CCC1 ZINC001266853440 808322945 /nfs/dbraw/zinc/32/29/45/808322945.db2.gz MINHWQIMYSCSDH-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C[C@H](CCCC#N)[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC001172479684 808342877 /nfs/dbraw/zinc/34/28/77/808342877.db2.gz JKCSQYDMWYAGOR-SJLPKXTDSA-N 1 1 285.435 3.180 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC001172503650 808359414 /nfs/dbraw/zinc/35/94/14/808359414.db2.gz BGDXWQMLZOXPNY-CZUORRHYSA-N 1 1 276.355 3.361 20 30 CGEDMO CCCCCCCC[C@@H](CC)[N@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC001172505482 808360211 /nfs/dbraw/zinc/36/02/11/808360211.db2.gz NXMLNDNCJSWFOG-ZNMIVQPWSA-N 1 1 286.435 3.413 20 30 CGEDMO CCCCCCN1CC[NH+]([C@H](C)CCCC#N)CC1 ZINC001172506771 808361886 /nfs/dbraw/zinc/36/18/86/808361886.db2.gz IXDLWJVATWDKQX-MRXNPFEDSA-N 1 1 265.445 3.267 20 30 CGEDMO C[C@@H](CCCC#N)[N@@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001172506802 808362379 /nfs/dbraw/zinc/36/23/79/808362379.db2.gz JSINNCNVVGTGTQ-IRXDYDNUSA-N 1 1 277.456 3.409 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001172506802 808362387 /nfs/dbraw/zinc/36/23/87/808362387.db2.gz JSINNCNVVGTGTQ-IRXDYDNUSA-N 1 1 277.456 3.409 20 30 CGEDMO C[C@H](CCCC#N)[N@@H+](C)C[C@@H]1Cc2ccccc2O1 ZINC001172506197 808362576 /nfs/dbraw/zinc/36/25/76/808362576.db2.gz PVFQLIDZBKNBOL-HIFRSBDPSA-N 1 1 258.365 3.004 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001172508226 808363598 /nfs/dbraw/zinc/36/35/98/808363598.db2.gz BUSGYUGADJDYKP-YJBOKZPZSA-N 1 1 297.402 3.484 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@H]1C(=O)Nc1ccccc1 ZINC001172508072 808364261 /nfs/dbraw/zinc/36/42/61/808364261.db2.gz BBHZZVQLPZCGSI-HOCLYGCPSA-N 1 1 285.391 3.172 20 30 CGEDMO CCCCCCC[C@H](CCC)[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC001172508907 808366332 /nfs/dbraw/zinc/36/63/32/808366332.db2.gz QMCCSQNWBZWLER-IXDOHACOSA-N 1 1 285.472 3.191 20 30 CGEDMO C[C@@H](CCCC#N)[N@@H+](C)CCN(C)Cc1ccccc1 ZINC001172509421 808366390 /nfs/dbraw/zinc/36/63/90/808366390.db2.gz LLCPCWNZOXESAK-INIZCTEOSA-N 1 1 273.424 3.133 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]1CCCNC(=O)/C(C)=C\C ZINC001267164051 808371792 /nfs/dbraw/zinc/37/17/92/808371792.db2.gz AYLDBEGEBJHPLT-STJUIISESA-N 1 1 278.440 3.280 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC[N@H+](C)CC1CC(C)(C)C1 ZINC001267210684 808381298 /nfs/dbraw/zinc/38/12/98/808381298.db2.gz LRLSCMAGPZKGBH-UHFFFAOYSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)CC[N@H+](C)CCNC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001267223228 808386373 /nfs/dbraw/zinc/38/63/73/808386373.db2.gz FZESZDMKQIVHQK-QAQDUYKDSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)C(C)(C)C(C)C ZINC001267241706 808391889 /nfs/dbraw/zinc/39/18/89/808391889.db2.gz HVNZVQNWMKIMAK-UHFFFAOYSA-N 1 1 268.445 3.073 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)[C@H](C)c1cccc(C)c1 ZINC001267251082 808394494 /nfs/dbraw/zinc/39/44/94/808394494.db2.gz UPIPYLGDWPLJTK-MRXNPFEDSA-N 1 1 288.435 3.113 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)C1(C2CCCCC2)CC1 ZINC001267254845 808396667 /nfs/dbraw/zinc/39/66/67/808396667.db2.gz HFESDYMRPLLLSC-UHFFFAOYSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001267257492 808399643 /nfs/dbraw/zinc/39/96/43/808399643.db2.gz XNEIEQLGNDHZCN-ZSHCYNCHSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)C1(C)CCC1 ZINC001267271932 808401508 /nfs/dbraw/zinc/40/15/08/808401508.db2.gz FXNRJOGGENODRR-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)C(C)C ZINC001267268400 808401566 /nfs/dbraw/zinc/40/15/66/808401566.db2.gz ZPQWCAPLGAEUDN-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](CCCCC)C(C)C ZINC001267279427 808402469 /nfs/dbraw/zinc/40/24/69/808402469.db2.gz FHWOGYCUHOIPSW-DLBZAZTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H]1CCC[C@H](C(=O)OC)C1 ZINC001172627984 808404800 /nfs/dbraw/zinc/40/48/00/808404800.db2.gz JUUNWZGTVKJTSX-DLBZAZTESA-N 1 1 287.403 3.406 20 30 CGEDMO C=C(C)CC[N@@H+](CCC)CCNC(=O)c1ccsc1 ZINC001267310946 808409999 /nfs/dbraw/zinc/40/99/99/808409999.db2.gz HEBMBZMZIIRPDX-UHFFFAOYSA-N 1 1 280.437 3.156 20 30 CGEDMO CC#CC[N@@H+](CCC)CCNC(=O)C[C@H](C)CC(C)(C)C ZINC001267318298 808414103 /nfs/dbraw/zinc/41/41/03/808414103.db2.gz WDDHODCNXUKLDJ-INIZCTEOSA-N 1 1 294.483 3.300 20 30 CGEDMO C=CCCC(=O)NCC[N@H+](Cc1cccc(C)c1)C1CC1 ZINC001267323044 808415805 /nfs/dbraw/zinc/41/58/05/808415805.db2.gz TXAUSHSFFQGWFF-UHFFFAOYSA-N 1 1 286.419 3.042 20 30 CGEDMO C=CCCC[N@H+](CCNC(=O)[C@H]1CCCC[C@@H]1C)C1CC1 ZINC001267331370 808416722 /nfs/dbraw/zinc/41/67/22/808416722.db2.gz FUDONPOGKVJWBZ-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)C[C@H]1CCCC[C@H]1C)C1CC1 ZINC001267337678 808417402 /nfs/dbraw/zinc/41/74/02/808417402.db2.gz DVDZYAQXPUGQNO-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C1CCC(C(=O)N(CCC)[C@@H]2CC[N@@H+](CCC)C2)CC1 ZINC001267482219 808430578 /nfs/dbraw/zinc/43/05/78/808430578.db2.gz QCQIMUGSXVWRRV-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C1CCC(C(=O)N(CCC)[C@H]2CC[N@@H+](CCC)C2)CC1 ZINC001267482215 808430766 /nfs/dbraw/zinc/43/07/66/808430766.db2.gz QCQIMUGSXVWRRV-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO CC(C)OC(=O)CC[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001172765407 808434320 /nfs/dbraw/zinc/43/43/20/808434320.db2.gz YHHGGBYUFVXUBJ-AWEZNQCLSA-N 1 1 288.391 3.110 20 30 CGEDMO C#CCC[N@H+](CCCNC(=O)[C@@H]1CCC[C@H](C)C1)C(C)C ZINC001267506875 808434804 /nfs/dbraw/zinc/43/48/04/808434804.db2.gz CJQILKJGUWHPCL-DLBZAZTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)[C@@H]1CCC[C@H]2C[C@H]21)C(C)C ZINC001267503841 808435229 /nfs/dbraw/zinc/43/52/29/808435229.db2.gz KQUUXBQQHDPHPK-GVDBMIGSSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)C(CC)CC)C1 ZINC001267507951 808435287 /nfs/dbraw/zinc/43/52/87/808435287.db2.gz HIPAXNRSVIHIJZ-HNNXBMFYSA-N 1 1 280.456 3.217 20 30 CGEDMO CC#CC[N@H+](CCCNC(=O)C1(CC)CCCC1)C(C)C ZINC001267511071 808436289 /nfs/dbraw/zinc/43/62/89/808436289.db2.gz GNGJOZVVZVUHEO-UHFFFAOYSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)C/C=C(/C)C=C)C1 ZINC001267545858 808444209 /nfs/dbraw/zinc/44/42/09/808444209.db2.gz FUXLVGPTOTZGDU-STKCSNAVSA-N 1 1 290.451 3.398 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H](C)C2CCC2)C1 ZINC001267544862 808444612 /nfs/dbraw/zinc/44/46/12/808444612.db2.gz UXOQPAZTVDDJNH-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)C/C=C(\C)C=C)C1 ZINC001267545856 808444840 /nfs/dbraw/zinc/44/48/40/808444840.db2.gz FUXLVGPTOTZGDU-JDZKTDJGSA-N 1 1 290.451 3.398 20 30 CGEDMO C=C(C)CCC(=O)NCC[C@H]1CC[N@H+](CC2CC(C)C2)C1 ZINC001267559285 808445668 /nfs/dbraw/zinc/44/56/68/808445668.db2.gz RIWHKUJTTDQYNY-CGZBRXJRSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](CCNC(=O)[C@]2(C)C=CCC2)C1 ZINC001267564215 808447634 /nfs/dbraw/zinc/44/76/34/808447634.db2.gz OAYSWZLWBCMUAA-FUHWJXTLSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@]2(C)CC=CCC2)C1 ZINC001267582786 808453911 /nfs/dbraw/zinc/45/39/11/808453911.db2.gz LFRUSHPRBQCHIY-SJLPKXTDSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C2(CCCC)CC2)C1 ZINC001267618190 808458491 /nfs/dbraw/zinc/45/84/91/808458491.db2.gz XUCQFUBONKYTHQ-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@](C)(CC)CCC)C1 ZINC001267633034 808462173 /nfs/dbraw/zinc/46/21/73/808462173.db2.gz YVEPKIPHLIGTQS-RDJZCZTQSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CC[NH+](CC#C)[C@H](C)CSc1ccc(Cl)cc1 ZINC001172885855 808475135 /nfs/dbraw/zinc/47/51/35/808475135.db2.gz WQEYQAAHITYKHN-CYBMUJFWSA-N 1 1 277.820 3.389 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)CCC=C(C)C ZINC001267711907 808475351 /nfs/dbraw/zinc/47/53/51/808475351.db2.gz HKFDULXCDJXEPP-ULQDDVLXSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)CCC=C(C)C ZINC001267711907 808475357 /nfs/dbraw/zinc/47/53/57/808475357.db2.gz HKFDULXCDJXEPP-ULQDDVLXSA-N 1 1 290.451 3.230 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)[C@H](C)C2CC2)C1 ZINC001267721084 808476695 /nfs/dbraw/zinc/47/66/95/808476695.db2.gz JEJWWCCQTLLNBV-ZBFHGGJFSA-N 1 1 280.456 3.193 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001267717675 808476751 /nfs/dbraw/zinc/47/67/51/808476751.db2.gz FMKZDFMYIQCVKL-NEPJUHHUSA-N 1 1 296.798 3.092 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001267747146 808482993 /nfs/dbraw/zinc/48/29/93/808482993.db2.gz LPBROFQNMUYSBG-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@@H](C#N)C1 ZINC001173088966 808503925 /nfs/dbraw/zinc/50/39/25/808503925.db2.gz SEXOORJPNOBYNX-YPMHNXCESA-N 1 1 298.308 3.362 20 30 CGEDMO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@H](C#N)C1 ZINC001173088966 808503932 /nfs/dbraw/zinc/50/39/32/808503932.db2.gz SEXOORJPNOBYNX-YPMHNXCESA-N 1 1 298.308 3.362 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1CCC[N@H+](CC=C(C)C)C1 ZINC001267937646 808517552 /nfs/dbraw/zinc/51/75/52/808517552.db2.gz QKAGGJUKFYRNKJ-QGZVFWFLSA-N 1 1 290.451 3.302 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001267956981 808521302 /nfs/dbraw/zinc/52/13/02/808521302.db2.gz TWNWFAHZEULVOC-XHSDSOJGSA-N 1 1 280.456 3.193 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](CC)C(C)C)C1 ZINC001268114649 808545432 /nfs/dbraw/zinc/54/54/32/808545432.db2.gz WFOROECTZLXINQ-HZPDHXFCSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](CCCC(C)C)C2)C1 ZINC001268215168 808558194 /nfs/dbraw/zinc/55/81/94/808558194.db2.gz BJTRADLBVIJFCK-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001268229520 808562470 /nfs/dbraw/zinc/56/24/70/808562470.db2.gz UCIDKRNDYQHADL-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@](C)(CC)CCCCC)C1 ZINC001268236889 808566020 /nfs/dbraw/zinc/56/60/20/808566020.db2.gz SPBCIAKBXAGVTN-WMZOPIPTSA-N 1 1 292.467 3.197 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@](C)(CC)CCCCC)C1 ZINC001268236889 808566026 /nfs/dbraw/zinc/56/60/26/808566026.db2.gz SPBCIAKBXAGVTN-WMZOPIPTSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C1CCC(C(=O)NC2C[NH+](CC/C=C\CCC)C2)CC1 ZINC001268446108 808588299 /nfs/dbraw/zinc/58/82/99/808588299.db2.gz ULTLSKAGFQGOQL-WAYWQWQTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCOC1CCC([NH2+]CC(=O)OCCCCCC)CC1 ZINC001173316883 808608942 /nfs/dbraw/zinc/60/89/42/808608942.db2.gz OLYICBOYJFFXLB-UHFFFAOYSA-N 1 1 297.439 3.213 20 30 CGEDMO C=CCOC1CCC([N@H+]2CC[C@](C)(F)[C@@H](F)C2)CC1 ZINC001173321357 808611553 /nfs/dbraw/zinc/61/15/53/808611553.db2.gz JIWVXVLSBALTSZ-WUCCLRPBSA-N 1 1 273.367 3.272 20 30 CGEDMO Cc1cccc(O[C@@H]2CC[N@H+](C3CCC(CC#N)CC3)C2)n1 ZINC001173339398 808619827 /nfs/dbraw/zinc/61/98/27/808619827.db2.gz GMRSIAJKVQJURT-OFLPRAFFSA-N 1 1 299.418 3.316 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)[C@@H]1CCN(CC)C1 ZINC001173365732 808631378 /nfs/dbraw/zinc/63/13/78/808631378.db2.gz OMLGHWUWVXMCDU-QGZVFWFLSA-N 1 1 258.409 3.159 20 30 CGEDMO C=CCCN(Cc1ccccc1)[C@@H]1CC[N@@H+](CC)C1 ZINC001173365732 808631385 /nfs/dbraw/zinc/63/13/85/808631385.db2.gz OMLGHWUWVXMCDU-QGZVFWFLSA-N 1 1 258.409 3.159 20 30 CGEDMO C=CCCN(Cc1ccccc1)[C@@H]1CC[N@H+](CC)C1 ZINC001173365732 808631389 /nfs/dbraw/zinc/63/13/89/808631389.db2.gz OMLGHWUWVXMCDU-QGZVFWFLSA-N 1 1 258.409 3.159 20 30 CGEDMO CC#CCCCC(=O)N[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001269056937 808643905 /nfs/dbraw/zinc/64/39/05/808643905.db2.gz NFNQOTMSRWDFCC-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO CCOC(=O)[C@@H](CC(C)C)[NH2+]C1CCC(C)(C#N)CC1 ZINC001173584643 808646290 /nfs/dbraw/zinc/64/62/90/808646290.db2.gz FISANARALLDSAD-NPCAHTBFSA-N 1 1 280.412 3.026 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1CC[N@H+]([C@@H](CC)c2ccccc2)C1 ZINC001269122318 808649159 /nfs/dbraw/zinc/64/91/59/808649159.db2.gz UWSXKKKNXRUKOH-MSOLQXFVSA-N 1 1 298.430 3.132 20 30 CGEDMO Cc1nc([C@@H]2CCCC[N@@H+]2C2CCC(C)(C#N)CC2)no1 ZINC001173599932 808650810 /nfs/dbraw/zinc/65/08/10/808650810.db2.gz TYXXAOSXURJKGO-BBBYJDLNSA-N 1 1 288.395 3.378 20 30 CGEDMO Cc1nc([C@@H]2CCCC[N@H+]2C2CCC(C)(C#N)CC2)no1 ZINC001173599932 808650815 /nfs/dbraw/zinc/65/08/15/808650815.db2.gz TYXXAOSXURJKGO-BBBYJDLNSA-N 1 1 288.395 3.378 20 30 CGEDMO CCOC(=O)[C@@H]1CCCC[N@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173597748 808650942 /nfs/dbraw/zinc/65/09/42/808650942.db2.gz HVSVQZOEUGBDJA-HPUBIQBYSA-N 1 1 292.423 3.124 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CCC[C@@H]2c2ncccn2)CC1 ZINC001173597505 808651490 /nfs/dbraw/zinc/65/14/90/808651490.db2.gz WJVFDSONNSMWKN-NPCAHTBFSA-N 1 1 270.380 3.086 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](CC)CCCC)C1 ZINC001269215413 808656572 /nfs/dbraw/zinc/65/65/72/808656572.db2.gz GTANUMXLCPMHDB-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)c1oc(C)cc1C ZINC001269215760 808656979 /nfs/dbraw/zinc/65/69/79/808656979.db2.gz QZWJEWMBZIYBEX-HIFRSBDPSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)c1ccoc1CC ZINC001269229304 808658610 /nfs/dbraw/zinc/65/86/10/808658610.db2.gz GWAOWXUEBUSOKJ-ZIAGYGMSSA-N 1 1 290.407 3.001 20 30 CGEDMO C=C[C@H](CC)CC(=O)N(C)[C@@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001269268226 808661713 /nfs/dbraw/zinc/66/17/13/808661713.db2.gz JHYKIJCHJIIMLH-HZPDHXFCSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CC(C)(C)C(=O)N(C)[C@@H]1CC[N@H+](CCCC(C)C)C1 ZINC001269263577 808662105 /nfs/dbraw/zinc/66/21/05/808662105.db2.gz REZGHIXDGWTPDL-OAHLLOKOSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC1(C(=O)N(C)[C@@H]2CC[N@H+](CCF)C2)CCCCC1 ZINC001269295253 808665720 /nfs/dbraw/zinc/66/57/20/808665720.db2.gz BCFIXRMXFBWIGI-OAHLLOKOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC1(C(=O)N(C)[C@@H]2CC[N@@H+](CCF)C2)CCCCC1 ZINC001269295253 808665729 /nfs/dbraw/zinc/66/57/29/808665729.db2.gz BCFIXRMXFBWIGI-OAHLLOKOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)C/C=C/c2ccc(C)cc2)C1 ZINC001269301267 808665891 /nfs/dbraw/zinc/66/58/91/808665891.db2.gz IVUZIVKYPJEIKF-QWNKOJSDSA-N 1 1 298.430 3.117 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)CCC2CCCC2)C1 ZINC001269306486 808667852 /nfs/dbraw/zinc/66/78/52/808667852.db2.gz DWFMJGLHMYAWLC-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)/C(C)=C\CC ZINC001269583312 808689987 /nfs/dbraw/zinc/68/99/87/808689987.db2.gz HMGDBEZCFPTICU-GKQNIKTISA-N 1 1 290.451 3.374 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CCC ZINC001269583595 808690285 /nfs/dbraw/zinc/69/02/85/808690285.db2.gz NDZFHXUZSTVJSO-OAGGEKHMSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)C(CCC)CCC)C2)C1 ZINC001269737301 808702377 /nfs/dbraw/zinc/70/23/77/808702377.db2.gz PUBPDNKTSCCYCI-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC(C)(C)CC(=O)N(C)C1C[NH+](CC/C=C\CC)C1 ZINC001269794331 808705329 /nfs/dbraw/zinc/70/53/29/808705329.db2.gz PXDGLFVUKWJCQJ-HJWRWDBZSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CC[N@H+]1CCC2(C1)CCN(C(=O)CCCC1CC1)CC2 ZINC001270336609 808726171 /nfs/dbraw/zinc/72/61/71/808726171.db2.gz QKOSSCMZKJVKQO-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)C[C@@H](C)CC(C)C)C1 ZINC001271008111 808758862 /nfs/dbraw/zinc/75/88/62/808758862.db2.gz URNGZYYVVWGTHV-WMZOPIPTSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](C(C)C)C3)CCC1 ZINC001271423276 808770426 /nfs/dbraw/zinc/77/04/26/808770426.db2.gz WJKXBCHJXQALEO-XHSDSOJGSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CC[N@@H+](C)CCC1CCN(C(=O)C(C)=C2CCC2)CC1 ZINC001271772622 808783718 /nfs/dbraw/zinc/78/37/18/808783718.db2.gz SRIDVEIYQYAMJM-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC(CC[N@H+](C)CC)CC1 ZINC001271785464 808784057 /nfs/dbraw/zinc/78/40/57/808784057.db2.gz UXUJJBVEMBDHPY-KRWDZBQOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC(C)C ZINC001272005874 808791633 /nfs/dbraw/zinc/79/16/33/808791633.db2.gz PDGIUIYAOWFINO-JKSUJKDBSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC(C)(C)CC(=O)N(C)CC[N@H+](C)C[C@@H](C)CC ZINC001272027963 808793961 /nfs/dbraw/zinc/79/39/61/808793961.db2.gz OMWRTYLWWLBGLF-AWEZNQCLSA-N 1 1 268.445 3.025 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N(C)CC[N@H+](C)CC1CC(C)C1 ZINC001272080171 808796619 /nfs/dbraw/zinc/79/66/19/808796619.db2.gz IUHAJWFZXLAGND-UHFFFAOYSA-N 1 1 280.456 3.025 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)CC(C)(C)CC(F)F ZINC001272067110 808796830 /nfs/dbraw/zinc/79/68/30/808796830.db2.gz CFVFQONLSHOXOI-UHFFFAOYSA-N 1 1 290.398 3.024 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)[C@@H](C)c1ccc(C)o1 ZINC001272126422 808798762 /nfs/dbraw/zinc/79/87/62/808798762.db2.gz YJTVYSOFBGHYSA-HNNXBMFYSA-N 1 1 292.423 3.048 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@@H](C)[C@@H](C)CC ZINC001272138243 808799238 /nfs/dbraw/zinc/79/92/38/808799238.db2.gz SCRXNOOOOWNNEB-GJZGRUSLSA-N 1 1 268.445 3.025 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC(C)C)CC[C@H]21 ZINC001272197419 808800149 /nfs/dbraw/zinc/80/01/49/808800149.db2.gz UBGPLDGXPNHIPF-HUUCEWRRSA-N 1 1 298.858 3.098 20 30 CGEDMO C=CCN1CC[C@]2(CC[N@H+](C[C@@H](CC)CCCC)C2)C1=O ZINC001272429566 808808039 /nfs/dbraw/zinc/80/80/39/808808039.db2.gz LJLHMSJXCHJSAN-WMZOPIPTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CN1CC[C@@]2(CCC[N@H+](CCCC)CC2)C1=O ZINC001272466867 808810919 /nfs/dbraw/zinc/81/09/19/808810919.db2.gz KSQDFRRIZMGFAX-KRWDZBQOSA-N 1 1 278.440 3.067 20 30 CGEDMO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccccc1C ZINC001272640054 808818254 /nfs/dbraw/zinc/81/82/54/808818254.db2.gz ZOQBOFJJSKGQPS-QZTJIDSGSA-N 1 1 298.430 3.136 20 30 CGEDMO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccc(C)c1 ZINC001272907937 808827138 /nfs/dbraw/zinc/82/71/38/808827138.db2.gz WMXRHCBSSRIAJQ-QZTJIDSGSA-N 1 1 298.430 3.136 20 30 CGEDMO N#Cc1ccc(F)cc1Nc1cc[nH+]c2ccccc12 ZINC001174040021 808838442 /nfs/dbraw/zinc/83/84/42/808838442.db2.gz NVJIUJOVJNRQKL-UHFFFAOYSA-N 1 1 263.275 3.411 20 30 CGEDMO COc1ccc(C#N)c(Nc2cc[nH+]c3ccccc23)c1 ZINC001174039801 808838535 /nfs/dbraw/zinc/83/85/35/808838535.db2.gz DLAIVMYSHWOFPT-UHFFFAOYSA-N 1 1 275.311 3.281 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@H+](CCCC(C)C)CC2)C1=O ZINC001273425722 808844682 /nfs/dbraw/zinc/84/46/82/808844682.db2.gz XSGYJXDVXMSOOP-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2CCCC(C)C ZINC001273423800 808845435 /nfs/dbraw/zinc/84/54/35/808845435.db2.gz KJZNEFYCLSBWEO-SFHVURJKSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@]12CCN(CC=C(C)C)C2=O ZINC001273494933 808848763 /nfs/dbraw/zinc/84/87/63/808848763.db2.gz JMTXAXIWBPIQNJ-GOSISDBHSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@]2(CCN([C@@H](C)CC)C2=O)CC1 ZINC001273487172 808848990 /nfs/dbraw/zinc/84/89/90/808848990.db2.gz VSMUJJODNARCCI-WMZOPIPTSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCN(C)C(=O)c1coc(C)c1 ZINC001273501840 808849873 /nfs/dbraw/zinc/84/98/73/808849873.db2.gz ORPAWRFYCVQWMZ-CQSZACIVSA-N 1 1 292.423 3.337 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCC ZINC001273495191 808850059 /nfs/dbraw/zinc/85/00/59/808850059.db2.gz PYUKLYJVJOSHOX-HZPDHXFCSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+](CC)C2)C1 ZINC001273598903 808856356 /nfs/dbraw/zinc/85/63/56/808856356.db2.gz KDRSKZBPOAYFTC-DLBZAZTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CCC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@H+](CC)C1 ZINC001273607452 808857277 /nfs/dbraw/zinc/85/72/77/808857277.db2.gz NPJDLPOLBDHBPL-SJORKVTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCC=C)C2 ZINC001273833625 808862442 /nfs/dbraw/zinc/86/24/42/808862442.db2.gz PMHXPIDYVBNBDF-SFHVURJKSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1Cc2ccc(CNC(=O)C3CC3)cc2C1 ZINC001274020518 808866096 /nfs/dbraw/zinc/86/60/96/808866096.db2.gz CQPJTVHMZJIPBY-CQSZACIVSA-N 1 1 298.430 3.383 20 30 CGEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)/C=C(\C)CC)cc2C1 ZINC001274027904 808866163 /nfs/dbraw/zinc/86/61/63/808866163.db2.gz OPEVMDMUXHNQQP-NTEUORMPSA-N 1 1 284.403 3.161 20 30 CGEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)/C=C(\C)CC)cc2C1 ZINC001274027904 808866171 /nfs/dbraw/zinc/86/61/71/808866171.db2.gz OPEVMDMUXHNQQP-NTEUORMPSA-N 1 1 284.403 3.161 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CCC)C(C)C)C(C)(C)C1 ZINC001274454594 808876823 /nfs/dbraw/zinc/87/68/23/808876823.db2.gz PCVPTRUEKASQJX-JKSUJKDBSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C2CC2)C[C@H]1C ZINC001274644591 808881577 /nfs/dbraw/zinc/88/15/77/808881577.db2.gz QYOKDUYGRAZHFM-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCC[C@H]1C[N@H+](C)CCC ZINC001275113655 808909838 /nfs/dbraw/zinc/90/98/38/808909838.db2.gz BUONMZARSSHICP-INIZCTEOSA-N 1 1 278.440 3.088 20 30 CGEDMO CCCCCCCC[N@H+]1CCCC2(CN(C)C2)C1 ZINC001275130641 808914381 /nfs/dbraw/zinc/91/43/81/808914381.db2.gz CXRUDZSWFKREKE-UHFFFAOYSA-N 1 1 252.446 3.375 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]([C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC001275183756 808920241 /nfs/dbraw/zinc/92/02/41/808920241.db2.gz IFAFJJMIIYOBQO-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO Cc1ccc(CN2CC3(CC[N@H+]3C3CCCC3)C2)c(C#N)c1 ZINC001275615849 808951885 /nfs/dbraw/zinc/95/18/85/808951885.db2.gz BIYCGNZLJGAXLG-UHFFFAOYSA-N 1 1 295.430 3.069 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)c1occc1Cl ZINC001275647440 808954576 /nfs/dbraw/zinc/95/45/76/808954576.db2.gz AXGATNMMTAWISE-VXGBXAGGSA-N 1 1 298.814 3.338 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@H](C)[N@H+](C)CCCC(C)C ZINC001275897890 808974469 /nfs/dbraw/zinc/97/44/69/808974469.db2.gz WYNOGSOBVAQXPZ-HNNXBMFYSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H](C)[N@@H+](C)CC2CCCC2)CCC1 ZINC001275920044 808976855 /nfs/dbraw/zinc/97/68/55/808976855.db2.gz HLBNODVICXIBKG-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)C[C@@H](C)CC(C)(C)C ZINC001275936738 808978068 /nfs/dbraw/zinc/97/80/68/808978068.db2.gz VHJHQFOULBCVPJ-HUUCEWRRSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](C[C@H](F)CC)CC1(C)C ZINC001276586522 809018264 /nfs/dbraw/zinc/01/82/64/809018264.db2.gz KOOFRYVMHSJBIG-ZIAGYGMSSA-N 1 1 298.446 3.163 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(CC)CC)C[C@@H]2C1 ZINC001276822264 809036387 /nfs/dbraw/zinc/03/63/87/809036387.db2.gz XKVPYMCPYSLKBB-BBWFWOEESA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)CCC)C[C@@]2(C)C1 ZINC001276901474 809041179 /nfs/dbraw/zinc/04/11/79/809041179.db2.gz OKCSCXYEIIBFGV-RYQLBKOJSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCCCCC[N@@H+]1CC[C@]2(CCC[C@@H]2C(N)=O)C1 ZINC001277152792 809060189 /nfs/dbraw/zinc/06/01/89/809060189.db2.gz OZFLCSFWXWCKBT-NVXWUHKLSA-N 1 1 278.440 3.100 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@]2(CCC[C@@H]2C(N)=O)C1 ZINC001277230321 809064858 /nfs/dbraw/zinc/06/48/58/809064858.db2.gz FTVKZFHETYLALX-NVXWUHKLSA-N 1 1 280.456 3.324 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC1 ZINC001277325306 809069212 /nfs/dbraw/zinc/06/92/12/809069212.db2.gz YLSQSJLMLLIFFA-SJORKVTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CCC ZINC001277340257 809070129 /nfs/dbraw/zinc/07/01/29/809070129.db2.gz OUPHYGWSUZMSPE-ZACQAIPSSA-N 1 1 292.467 3.454 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1C[C@@H]2CC[C@H](C1)[C@H]2C(N)=O ZINC001278036584 809112567 /nfs/dbraw/zinc/11/25/67/809112567.db2.gz AUJBJCLCLGLUDK-RFVJJRFUSA-N 1 1 292.467 3.346 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C/C=C/Cl ZINC001278315233 809125468 /nfs/dbraw/zinc/12/54/68/809125468.db2.gz QGIGPXALLWJUFI-HOKBCBGSSA-N 1 1 296.842 3.161 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)CC2(C)CC2)C1 ZINC001278410904 809130738 /nfs/dbraw/zinc/13/07/38/809130738.db2.gz PQJMDYCARAFEOG-PBHICJAKSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](C)c2cccs2)C1 ZINC001278427477 809132138 /nfs/dbraw/zinc/13/21/38/809132138.db2.gz UYAVADBZEPIDIO-CZUORRHYSA-N 1 1 292.448 3.008 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@]2(NC(=O)C3CC3)CCC[C@H]12 ZINC001278431363 809132505 /nfs/dbraw/zinc/13/25/05/809132505.db2.gz MSVOJRIHKKCMCU-WMZOPIPTSA-N 1 1 290.451 3.256 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)CCC(C)C)CCC[C@@H]12 ZINC001278431957 809133752 /nfs/dbraw/zinc/13/37/52/809133752.db2.gz SVGQSDFUXJYUOF-NVXWUHKLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CC(C)=C(C)C)[C@@H]1C ZINC001278515694 809139167 /nfs/dbraw/zinc/13/91/67/809139167.db2.gz KSDNYGQFPIXIGP-HOTGVXAUSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CCC[N@H+](CCC)[C@H]2C)CCC1 ZINC001278522482 809140212 /nfs/dbraw/zinc/14/02/12/809140212.db2.gz YDTIVXHVPHZMEP-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)C(C)=C1CCC1)C(C)C ZINC001278907876 809155116 /nfs/dbraw/zinc/15/51/16/809155116.db2.gz JTVWGECIFGHZOF-UHFFFAOYSA-N 1 1 278.440 3.232 20 30 CGEDMO CC#CC[N@@H+](C)CCN(C(=O)C[C@@H]1CCC[C@H]1C)C(C)C ZINC001278907348 809155719 /nfs/dbraw/zinc/15/57/19/809155719.db2.gz BZAIBDDPKOJZPX-SJORKVTESA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)CC ZINC001279575920 809174407 /nfs/dbraw/zinc/17/44/07/809174407.db2.gz JQGPTTBAGZOKJN-HZPDHXFCSA-N 1 1 292.467 3.454 20 30 CGEDMO C#CCCCCCC(=O)N[C@H]1CCC[N@H+](CCC=C)CC1 ZINC001280745110 809195892 /nfs/dbraw/zinc/19/58/92/809195892.db2.gz RAKCKJFCSMJNIA-KRWDZBQOSA-N 1 1 290.451 3.117 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C/C=C(\C)C=C)CC1 ZINC001280758129 809197757 /nfs/dbraw/zinc/19/77/57/809197757.db2.gz ZUJPDJCTOYBNKG-LRQZKABGSA-N 1 1 276.424 3.056 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](C=C)CC)CC1 ZINC001280757057 809197865 /nfs/dbraw/zinc/19/78/65/809197865.db2.gz SJQZFPMHDUWPAE-HZPDHXFCSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001280814737 809199787 /nfs/dbraw/zinc/19/97/87/809199787.db2.gz RIQDOACSENOZEO-JKSUJKDBSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)C1(CC)CCC1 ZINC001280848608 809201131 /nfs/dbraw/zinc/20/11/31/809201131.db2.gz RHJNTEBRLLYJEE-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)c1ccc(C)cc1C ZINC001280881538 809202992 /nfs/dbraw/zinc/20/29/92/809202992.db2.gz UYDFLYTWGKSRFS-UHFFFAOYSA-N 1 1 288.435 3.273 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCCCC)C2 ZINC001281069789 809206266 /nfs/dbraw/zinc/20/62/66/809206266.db2.gz CVGJPTYJHANPTJ-SFHVURJKSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[N@H+](CC(CC)CC)[C@H](C)C1 ZINC001281650013 809216695 /nfs/dbraw/zinc/21/66/95/809216695.db2.gz ATPXLSIDQNGWNA-GDBMZVCRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCC(C)C)C[C@@H]1C ZINC001281650871 809216984 /nfs/dbraw/zinc/21/69/84/809216984.db2.gz GIHLMCGTVRETEF-UONOGXRCSA-N 1 1 286.847 3.144 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCC(C)C)C[C@@H]1C ZINC001281650871 809216988 /nfs/dbraw/zinc/21/69/88/809216988.db2.gz GIHLMCGTVRETEF-UONOGXRCSA-N 1 1 286.847 3.144 20 30 CGEDMO C=C(C)CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2C[C@H]2C)CC1 ZINC001281833147 809221487 /nfs/dbraw/zinc/22/14/87/809221487.db2.gz AYOKFAZMGMGHRV-NVXWUHKLSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)CCC1CC1 ZINC001281928520 809223430 /nfs/dbraw/zinc/22/34/30/809223430.db2.gz LINJXABFESBFIA-NVXWUHKLSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@@H](C)CCC ZINC001281917944 809223616 /nfs/dbraw/zinc/22/36/16/809223616.db2.gz YDTZUPVIETVZML-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)c1cc(C)c(C)o1 ZINC001281931307 809223872 /nfs/dbraw/zinc/22/38/72/809223872.db2.gz ZSJDDRXHEYKYPI-HNNXBMFYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)CCC1CC1 ZINC001281928518 809224027 /nfs/dbraw/zinc/22/40/27/809224027.db2.gz LINJXABFESBFIA-DOTOQJQBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)c1cccc(C)c1 ZINC001282468920 809250259 /nfs/dbraw/zinc/25/02/59/809250259.db2.gz NTWNJEYEYGOHRU-CVEARBPZSA-N 1 1 288.435 3.111 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)C1CC1 ZINC001282660698 809257605 /nfs/dbraw/zinc/25/76/05/809257605.db2.gz CHNIZXROSNJKMT-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCCCC[N@@H+]1CCC(=C)C ZINC001282661154 809257721 /nfs/dbraw/zinc/25/77/21/809257721.db2.gz HLVXUADWKOTBOX-INIZCTEOSA-N 1 1 278.440 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)C[C@H](CC)C(C)C)C(C)(C)C1 ZINC001282833145 809264829 /nfs/dbraw/zinc/26/48/29/809264829.db2.gz NDQBYEYTCKRIBR-HOTGVXAUSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)CSC(C)C)[C@H]1C ZINC001284119088 809296603 /nfs/dbraw/zinc/29/66/03/809296603.db2.gz KZVJEMHPOYAFHH-CABCVRRESA-N 1 1 298.496 3.063 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)CCCC2CC2)[C@H]1C ZINC001284128260 809298347 /nfs/dbraw/zinc/29/83/47/809298347.db2.gz AVQIPFKUVAJNHL-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)c1ccc(Cl)o1)C(C)C ZINC001284527797 809306793 /nfs/dbraw/zinc/30/67/93/809306793.db2.gz OWMOLCHLGXGURT-UHFFFAOYSA-N 1 1 298.814 3.292 20 30 CGEDMO CC(C)CCC[N@@H+](C)CCN(C(=O)C#CC1CC1)C(C)C ZINC001284533984 809308380 /nfs/dbraw/zinc/30/83/80/809308380.db2.gz VDUPIPIJDUWXGC-UHFFFAOYSA-N 1 1 292.467 3.005 20 30 CGEDMO N#Cc1cc(Nc2cc[nH+]cc2C(F)(F)F)ccc1F ZINC001176610130 809730345 /nfs/dbraw/zinc/73/03/45/809730345.db2.gz AICHUAGHVFLZLG-UHFFFAOYSA-N 1 1 281.212 3.277 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1C[C@H](O)CC1CCCC1 ZINC001176771664 809759624 /nfs/dbraw/zinc/75/96/24/809759624.db2.gz QKYITMAXRZQLHA-JKSUJKDBSA-N 1 1 251.414 3.358 20 30 CGEDMO C#C[C@H]1CCCC[N@@H+]1Cc1cccc(C(=O)NCC(C)C)c1 ZINC001176832548 809764330 /nfs/dbraw/zinc/76/43/30/809764330.db2.gz DSORUGDSYKGDOX-SFHVURJKSA-N 1 1 298.430 3.060 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1ccc(C2(C(=O)OC)CC2)cc1 ZINC001176815912 809764486 /nfs/dbraw/zinc/76/44/86/809764486.db2.gz YPPCOLJBKQFCGX-MRXNPFEDSA-N 1 1 285.387 3.042 20 30 CGEDMO CC(C)[C@@H]1C[C@@H](N2CCCC2)C[N@@H+]1Cc1cccc(C#N)c1 ZINC001176888094 809767263 /nfs/dbraw/zinc/76/72/63/809767263.db2.gz XYWSIGFROXDOOC-MOPGFXCFSA-N 1 1 297.446 3.253 20 30 CGEDMO CC(C)[C@@H]1C[C@@H](N2CCCC2)C[N@H+]1Cc1cccc(C#N)c1 ZINC001176888094 809767266 /nfs/dbraw/zinc/76/72/66/809767266.db2.gz XYWSIGFROXDOOC-MOPGFXCFSA-N 1 1 297.446 3.253 20 30 CGEDMO C=CCOc1cccc(CNCC[N@H+](CC)C(C)C)c1 ZINC001177612482 809812655 /nfs/dbraw/zinc/81/26/55/809812655.db2.gz ZDSDUXXNDMGSJJ-UHFFFAOYSA-N 1 1 276.424 3.071 20 30 CGEDMO C=CCOc1cccc(C[NH2+]CCN(CC)C(C)C)c1 ZINC001177612482 809812659 /nfs/dbraw/zinc/81/26/59/809812659.db2.gz ZDSDUXXNDMGSJJ-UHFFFAOYSA-N 1 1 276.424 3.071 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cn(CCC)nc2C)C1 ZINC001182805894 810125102 /nfs/dbraw/zinc/12/51/02/810125102.db2.gz MLEVTTIFEWZNCL-OAHLLOKOSA-N 1 1 261.413 3.390 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)C=C(C)C)[C@@H]2C1 ZINC001186716588 810357606 /nfs/dbraw/zinc/35/76/06/810357606.db2.gz XPASAYKHYUSCMT-DLBZAZTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]2C[N@@H+](CC3CCCCC3)C[C@H]21 ZINC001187199470 810389876 /nfs/dbraw/zinc/38/98/76/810389876.db2.gz NIXPORYQMZUFKD-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC001188599702 810491732 /nfs/dbraw/zinc/49/17/32/810491732.db2.gz GENOYTQKCFGTLY-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)c2cccs2)C1 ZINC001188702600 810504414 /nfs/dbraw/zinc/50/44/14/810504414.db2.gz QUFXMFZLZGOAAM-UONOGXRCSA-N 1 1 292.448 3.249 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(C)o2)C1 ZINC001188737514 810510515 /nfs/dbraw/zinc/51/05/15/810510515.db2.gz MSTKJKXFQHYOCP-ZFWWWQNUSA-N 1 1 290.407 3.089 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)c2ccsc2)C1 ZINC001188776316 810513051 /nfs/dbraw/zinc/51/30/51/810513051.db2.gz KDTHRXWLWVZODF-HIFRSBDPSA-N 1 1 292.448 3.249 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001189318064 810557489 /nfs/dbraw/zinc/55/74/89/810557489.db2.gz HIODRXGGUQCJGD-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)C2=CCCC2)C1 ZINC001189631750 810582438 /nfs/dbraw/zinc/58/24/38/810582438.db2.gz HUENQBUYUMQBQP-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)CC(C)C)[C@@H]2C1 ZINC001189691725 810585326 /nfs/dbraw/zinc/58/53/26/810585326.db2.gz IFSFPGWXKKFXPF-YESZJQIVSA-N 1 1 292.467 3.168 20 30 CGEDMO C#CCCCC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)c2ccccc2)C1 ZINC001189927309 810595508 /nfs/dbraw/zinc/59/55/08/810595508.db2.gz XIFABTHJYOXCKB-SJLPKXTDSA-N 1 1 298.430 3.084 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)CCCC)C1 ZINC001189942853 810596339 /nfs/dbraw/zinc/59/63/39/810596339.db2.gz ASNQGGGCAXOGAV-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)C2(C)CC2)C1 ZINC001190277710 810617423 /nfs/dbraw/zinc/61/74/23/810617423.db2.gz AWXZWXOSQDMLIK-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C#CCC[N@H+](C)[C@H]1CCN(C(=O)CCCCC(C)(C)C)C1 ZINC001190337701 810621769 /nfs/dbraw/zinc/62/17/69/810621769.db2.gz UVNHJEULNXBYQI-INIZCTEOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)CCCCC(C)(C)C)C1 ZINC001190338248 810622268 /nfs/dbraw/zinc/62/22/68/810622268.db2.gz ZYEHLLQCRDWRRN-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO CC(C)C[N@@H+](CC[C@H](O)C(C)C)Cc1ccc(C#N)cc1 ZINC001190615562 810637474 /nfs/dbraw/zinc/63/74/74/810637474.db2.gz DSWWXLJBAIMHPZ-SFHVURJKSA-N 1 1 288.435 3.423 20 30 CGEDMO C#CC[N@H+](C[C@@H](O)[C@H](C)c1ccccc1)C1CCCCC1 ZINC001190699205 810643613 /nfs/dbraw/zinc/64/36/13/810643613.db2.gz GAJYEDGWVNYPLX-VQIMIIECSA-N 1 1 285.431 3.419 20 30 CGEDMO CCCCCCCCNC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001191064193 810670007 /nfs/dbraw/zinc/67/00/07/810670007.db2.gz RBXLSIXKQUDLOS-HOTGVXAUSA-N 1 1 295.471 3.083 20 30 CGEDMO CCCCCCCCNC(=O)N1CCC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC001191064192 810670091 /nfs/dbraw/zinc/67/00/91/810670091.db2.gz RBXLSIXKQUDLOS-CVEARBPZSA-N 1 1 295.471 3.083 20 30 CGEDMO CCCCCCCNC(=O)N[C@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001191122220 810679420 /nfs/dbraw/zinc/67/94/20/810679420.db2.gz UUMIVFWDYHDMMX-HOTGVXAUSA-N 1 1 297.487 3.375 20 30 CGEDMO CC#CC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H](CC)CCCC)C1 ZINC001191421820 810713118 /nfs/dbraw/zinc/71/31/18/810713118.db2.gz COCSKUUWTYOHCO-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C2(CCF)CC2)C1 ZINC001191507661 810720853 /nfs/dbraw/zinc/72/08/53/810720853.db2.gz NDVHPVLJTPMBLR-HUUCEWRRSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)C2(C3CCC3)CCC2)C1 ZINC001191577881 810725750 /nfs/dbraw/zinc/72/57/50/810725750.db2.gz XNYXARBWHWJFPQ-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C#Cc1ccc(C(=O)N2CC[C@H]([N@H+](C)CCCCC)C2)cc1 ZINC001191665709 810728817 /nfs/dbraw/zinc/72/88/17/810728817.db2.gz CUKCWNLJUMJLQU-SFHVURJKSA-N 1 1 298.430 3.004 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)C(=C)C)C1 ZINC001191684964 810730341 /nfs/dbraw/zinc/73/03/41/810730341.db2.gz WLQKMVXUGDDMCW-HOTGVXAUSA-N 1 1 292.467 3.476 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CC=CCC2)C1 ZINC001191728454 810733120 /nfs/dbraw/zinc/73/31/20/810733120.db2.gz ZDGREMPFEQGAAZ-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)C2(CCC)CCC2)C1 ZINC001191850519 810751433 /nfs/dbraw/zinc/75/14/33/810751433.db2.gz UWALYQYGCWKBMK-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)CC(=C)C)C1 ZINC001191867738 810752518 /nfs/dbraw/zinc/75/25/18/810752518.db2.gz HRJPFQWIJWCRSB-HZPDHXFCSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC[C@H]([N@@H+](C)CC=C(C)C)C1 ZINC001191889506 810754072 /nfs/dbraw/zinc/75/40/72/810754072.db2.gz HBBJQPDAASKZNC-HOTGVXAUSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCCC(=O)N1CC[C@@H]([N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001192093949 810768205 /nfs/dbraw/zinc/76/82/05/810768205.db2.gz OLJIOKVPOUECKR-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C2(CCCC)CC2)C1 ZINC001192189616 810774415 /nfs/dbraw/zinc/77/44/15/810774415.db2.gz GLQWBMGVRMXRHL-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)CC[C@H](C)F)C2)CCC1 ZINC001192225740 810777027 /nfs/dbraw/zinc/77/70/27/810777027.db2.gz BJNCWTUTUMEQES-LSDHHAIUSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCCC1(C(=O)N2CC[C@@H]([N@H+](C)CCCC)C2)CC1 ZINC001192218942 810777423 /nfs/dbraw/zinc/77/74/23/810777423.db2.gz ZDYFOVGZUOLHFO-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C#CCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001192513825 810804137 /nfs/dbraw/zinc/80/41/37/810804137.db2.gz SFTXFKXUQZPGJZ-JKSUJKDBSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)C2(CC(C)C)CCCC2)C1 ZINC001192887106 810826438 /nfs/dbraw/zinc/82/64/38/810826438.db2.gz AKJVHFIBFGKBEI-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO CCCCCCC[C@H](C)NC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC001192944800 810832196 /nfs/dbraw/zinc/83/21/96/810832196.db2.gz VUWSKMJCNSFSED-HOTGVXAUSA-N 1 1 297.487 3.376 20 30 CGEDMO C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CCCCC)C(C)C)C1 ZINC001193350307 810876378 /nfs/dbraw/zinc/87/63/78/810876378.db2.gz OPOUYIQUCZDERV-SJORKVTESA-N 1 1 292.467 3.005 20 30 CGEDMO CC[C@H]1CCCC[C@H]1[N@@H+](C)Cc1ccncc1C#N ZINC001193459107 810890837 /nfs/dbraw/zinc/89/08/37/810890837.db2.gz APMDNXMXILITDE-XJKSGUPXSA-N 1 1 257.381 3.354 20 30 CGEDMO C=C(C)[C@@H]([NH2+]C/C=C/C(=O)OCC)c1ccc(F)c(F)c1 ZINC001193575213 810911633 /nfs/dbraw/zinc/91/16/33/810911633.db2.gz MPHDRAFOEQQJJK-SQRWCISFSA-N 1 1 295.329 3.291 20 30 CGEDMO C=CC[C@H]1[N@@H+](CCCC(=O)OCC)CCCC1(C)C ZINC001193921004 810980319 /nfs/dbraw/zinc/98/03/19/810980319.db2.gz STIQSDUEPYAJQH-CQSZACIVSA-N 1 1 267.413 3.396 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1nnc(-c2cccc(OC)c2)o1 ZINC001193943104 810981151 /nfs/dbraw/zinc/98/11/51/810981151.db2.gz RRNUDAFBACMADU-AWEZNQCLSA-N 1 1 299.374 3.286 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nnc(-c2cccc(OC)c2)o1 ZINC001193943104 810981158 /nfs/dbraw/zinc/98/11/58/810981158.db2.gz RRNUDAFBACMADU-AWEZNQCLSA-N 1 1 299.374 3.286 20 30 CGEDMO CCCCCCCOC(=O)N1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001194004648 810998434 /nfs/dbraw/zinc/99/84/34/810998434.db2.gz ZBFOEWQKBHDDRO-LSDHHAIUSA-N 1 1 282.428 3.119 20 30 CGEDMO CCCCCCCOC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC001194013413 811001444 /nfs/dbraw/zinc/00/14/44/811001444.db2.gz XEFDBWLTKGYIHD-HNNXBMFYSA-N 1 1 284.444 3.415 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)C[Si](C)(C)c1ccccc1 ZINC001194165473 811024674 /nfs/dbraw/zinc/02/46/74/811024674.db2.gz SUVFVLWOKQIYME-UHFFFAOYSA-N 1 1 293.486 3.277 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)C1CC(OC(C)C)C1 ZINC001194165150 811025008 /nfs/dbraw/zinc/02/50/08/811025008.db2.gz PFFNWBXXXGTOEB-UHFFFAOYSA-N 1 1 257.377 3.078 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CCC)CC(C)C)C1 ZINC001194360143 811059666 /nfs/dbraw/zinc/05/96/66/811059666.db2.gz WZLUSXHOSVQGAJ-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO CCCCCCC[N@H+]1CCCN(C(=O)CCC)CC1 ZINC001194655026 811101375 /nfs/dbraw/zinc/10/13/75/811101375.db2.gz DTGYVJQPZDUZPG-UHFFFAOYSA-N 1 1 268.445 3.291 20 30 CGEDMO CCCCCCCCOC(=O)N1C[C@@H]2C[N@H+](CC)C[C@@H]2C1 ZINC001194743748 811121296 /nfs/dbraw/zinc/12/12/96/811121296.db2.gz QAUBTAJJJKDCRN-IYBDPMFKSA-N 1 1 296.455 3.367 20 30 CGEDMO C[N@H+]1CCc2ccc(Nc3cc(C#N)ccc3F)cc2C1 ZINC001214604309 815430803 /nfs/dbraw/zinc/43/08/03/815430803.db2.gz XEHWWZHOXXIJJA-UHFFFAOYSA-N 1 1 281.334 3.429 20 30 CGEDMO C#CCCCCCC[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C ZINC001194961895 811175746 /nfs/dbraw/zinc/17/57/46/811175746.db2.gz AVYXLIWEDBQJBC-OAHLLOKOSA-N 1 1 281.440 3.480 20 30 CGEDMO C=CCCC(=O)N1CCC[N@H+](CC/C=C\CCC)CC1 ZINC001195192646 811224779 /nfs/dbraw/zinc/22/47/79/811224779.db2.gz ZWIMVRIFNMLPFV-FPLPWBNLSA-N 1 1 278.440 3.233 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)/C=C/C(C)(C)C)CC1 ZINC001195356628 811247346 /nfs/dbraw/zinc/24/73/46/811247346.db2.gz UOSQZOMAZBKHME-VQHVLOKHSA-N 1 1 278.440 3.089 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cnc(OC)c3ccccc23)C1 ZINC001195464448 811258356 /nfs/dbraw/zinc/25/83/56/811258356.db2.gz ULDMSNXLDADCAF-OAHLLOKOSA-N 1 1 294.398 3.479 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cnc(OC)c3ccccc23)C1 ZINC001195464447 811258422 /nfs/dbraw/zinc/25/84/22/811258422.db2.gz ULDMSNXLDADCAF-HNNXBMFYSA-N 1 1 294.398 3.479 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)CCCCC(C)(C)C)CC1 ZINC001195934962 811304028 /nfs/dbraw/zinc/30/40/28/811304028.db2.gz IDWKKWFDCOKYPK-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@H+](CC)[C@H](C)CC)cc1 ZINC001196047921 811313188 /nfs/dbraw/zinc/31/31/88/811313188.db2.gz IDIWZFAMXDBILU-CQSZACIVSA-N 1 1 272.392 3.117 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001196585944 811353545 /nfs/dbraw/zinc/35/35/45/811353545.db2.gz AHGWYNBZBTUYAU-JFIYKMOQSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CCC[N@@H+](CC2CCCC2)CC1 ZINC001196881684 811378697 /nfs/dbraw/zinc/37/86/97/811378697.db2.gz WDPCORSNWXXHEI-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(Cl)C[N@H+](Cc1ccccc1)[C@H](CC)CO ZINC001197115038 811399678 /nfs/dbraw/zinc/39/96/78/811399678.db2.gz JZTTXIQQEIEPAI-CQSZACIVSA-N 1 1 253.773 3.012 20 30 CGEDMO C=C(Cl)C[N@@H+](Cc1ccccc1)[C@H](CC)CO ZINC001197115038 811399683 /nfs/dbraw/zinc/39/96/83/811399683.db2.gz JZTTXIQQEIEPAI-CQSZACIVSA-N 1 1 253.773 3.012 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)C[C@H](C)CCCCC)CC1 ZINC001197354483 811419817 /nfs/dbraw/zinc/41/98/17/811419817.db2.gz VKXYIVNTJSDIAR-MRXNPFEDSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)[C@@](C)(CC)CCC)CC1 ZINC001197578445 811429792 /nfs/dbraw/zinc/42/97/92/811429792.db2.gz PBWUQTMNQQWANB-KRWDZBQOSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@]2(C)C(C)C)CC1 ZINC001197628574 811438162 /nfs/dbraw/zinc/43/81/62/811438162.db2.gz CPACCWXJBLNYQX-FUHWJXTLSA-N 1 1 292.467 3.169 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc3oc(C(=O)OC)cc3c2)C1 ZINC001197701559 811447568 /nfs/dbraw/zinc/44/75/68/811447568.db2.gz KXLHWWWIVXGVRK-CYBMUJFWSA-N 1 1 297.354 3.065 20 30 CGEDMO C=CC[N@H+]1CCCN(C(=O)[C@@H](F)CCCCCC)CC1 ZINC001197842078 811457659 /nfs/dbraw/zinc/45/76/59/811457659.db2.gz DUBYWDUKCCAPFG-HNNXBMFYSA-N 1 1 284.419 3.015 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)[C@@H](F)CCCCCC)CC1 ZINC001197842078 811457663 /nfs/dbraw/zinc/45/76/63/811457663.db2.gz DUBYWDUKCCAPFG-HNNXBMFYSA-N 1 1 284.419 3.015 20 30 CGEDMO CC#CC[N@H+]1CCCN(C(=O)[C@H](CC)CCCCC)CC1 ZINC001198205271 811484693 /nfs/dbraw/zinc/48/46/93/811484693.db2.gz REGAFAGLFRPTEC-QGZVFWFLSA-N 1 1 292.467 3.151 20 30 CGEDMO CC#CC[N@@H+]1CCCN(C(=O)[C@H](CC)CCCCC)CC1 ZINC001198205271 811484698 /nfs/dbraw/zinc/48/46/98/811484698.db2.gz REGAFAGLFRPTEC-QGZVFWFLSA-N 1 1 292.467 3.151 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1ccc(OCC)cn1 ZINC001198406616 811498809 /nfs/dbraw/zinc/49/88/09/811498809.db2.gz JTHUIJZSKSCRJH-HNNXBMFYSA-N 1 1 260.381 3.411 20 30 CGEDMO C=CCC[C@H]1CCC[N@H+]1CCOc1ccc2c(c1)OCO2 ZINC001198414402 811499402 /nfs/dbraw/zinc/49/94/02/811499402.db2.gz QCVIIOBPFVVEEO-AWEZNQCLSA-N 1 1 289.375 3.225 20 30 CGEDMO CCc1ccc2c(c1)C[N@@H+](Cc1ccc(C#N)o1)CC2 ZINC001198850668 811549047 /nfs/dbraw/zinc/54/90/47/811549047.db2.gz AYEDYHBFGRQAKW-UHFFFAOYSA-N 1 1 266.344 3.272 20 30 CGEDMO CCc1ccc2c(c1)C[N@H+](Cc1ccc(C#N)o1)CC2 ZINC001198850668 811549053 /nfs/dbraw/zinc/54/90/53/811549053.db2.gz AYEDYHBFGRQAKW-UHFFFAOYSA-N 1 1 266.344 3.272 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](C[C@H](C)CC)[C@@H]2CC ZINC001201502123 811871383 /nfs/dbraw/zinc/87/13/83/811871383.db2.gz GVRNGLAQVUSRNF-NUJGCVRESA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](CC(CC)CC)C2 ZINC001201526235 811883639 /nfs/dbraw/zinc/88/36/39/811883639.db2.gz UGOWFRRFVSQPDF-QZTJIDSGSA-N 1 1 295.467 3.496 20 30 CGEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](CCCCC)CCO2 ZINC001201730960 811950128 /nfs/dbraw/zinc/95/01/28/811950128.db2.gz NYXOULDMEOLMJD-DLBZAZTESA-N 1 1 281.440 3.250 20 30 CGEDMO CCCCCCC[N@@H+]1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001201798522 811966120 /nfs/dbraw/zinc/96/61/20/811966120.db2.gz XAODSMBFYBTBKF-SDDRHHMPSA-N 1 1 265.319 3.361 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001201798522 811966122 /nfs/dbraw/zinc/96/61/22/811966122.db2.gz XAODSMBFYBTBKF-SDDRHHMPSA-N 1 1 265.319 3.361 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](Oc2ncc(F)cn2)C1 ZINC001201798646 811966267 /nfs/dbraw/zinc/96/62/67/811966267.db2.gz YMAUMOZXACILKK-AWEZNQCLSA-N 1 1 281.375 3.039 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@H]2[C@@H](CCC(=O)N2C)C1 ZINC001201839388 811969164 /nfs/dbraw/zinc/96/91/64/811969164.db2.gz BCZFACJSCSGTCT-HOTGVXAUSA-N 1 1 280.456 3.290 20 30 CGEDMO CCCCCCCC[N@H+]1CCC(=O)N2CCC[C@@H]2C1 ZINC001201840107 811969544 /nfs/dbraw/zinc/96/95/44/811969544.db2.gz MDXBWKONGTZPLQ-OAHLLOKOSA-N 1 1 266.429 3.044 20 30 CGEDMO COC(=O)CCC[N@@H+](CCC#N)C1CCCCCCC1 ZINC001202228536 812044922 /nfs/dbraw/zinc/04/49/22/812044922.db2.gz ZVFORYJGSSRXIS-UHFFFAOYSA-N 1 1 280.412 3.268 20 30 CGEDMO FC[C@]1(C(F)(F)F)CC[N@@H+](CCC(F)(F)F)C1 ZINC001202306746 812060333 /nfs/dbraw/zinc/06/03/33/812060333.db2.gz ADOOQLGGBYTVRF-SSDOTTSWSA-N 1 1 267.188 3.163 20 30 CGEDMO C[C@@H](CC#N)[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC001203521065 812383153 /nfs/dbraw/zinc/38/31/53/812383153.db2.gz CKMXYGSSRYVTFM-ZDUSSCGKSA-N 1 1 251.333 3.140 20 30 CGEDMO Cn1c[nH+]c2cccc(Nc3cc(F)c(C#N)c(F)c3)c21 ZINC001203681834 812427812 /nfs/dbraw/zinc/42/78/12/812427812.db2.gz RMKPAIMJPNCZNQ-UHFFFAOYSA-N 1 1 284.269 3.467 20 30 CGEDMO C=CC[NH+]1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC001203689610 812428946 /nfs/dbraw/zinc/42/89/46/812428946.db2.gz CXUZLGIZEJMZEZ-UHFFFAOYSA-N 1 1 284.325 3.009 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](C(=O)c3ccccc3)C2)cc1 ZINC001203906688 812488301 /nfs/dbraw/zinc/48/83/01/812488301.db2.gz TXMIVJRETOLRBR-SFHVURJKSA-N 1 1 290.366 3.263 20 30 CGEDMO C[N@@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1ccc(C#N)cc1 ZINC001203904755 812488540 /nfs/dbraw/zinc/48/85/40/812488540.db2.gz FZPPFHPUCMEVLI-OALUTQOASA-N 1 1 297.446 3.397 20 30 CGEDMO C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1ccc(C#N)cc1 ZINC001203904755 812488543 /nfs/dbraw/zinc/48/85/43/812488543.db2.gz FZPPFHPUCMEVLI-OALUTQOASA-N 1 1 297.446 3.397 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(N(CC)CC)cc2)C1 ZINC001203941725 812497675 /nfs/dbraw/zinc/49/76/75/812497675.db2.gz FTOCJNZZQPSSQW-INIZCTEOSA-N 1 1 270.420 3.378 20 30 CGEDMO Cc1ccsc1C[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001204019218 812523324 /nfs/dbraw/zinc/52/33/24/812523324.db2.gz RAGUKORKCJGUAF-UHFFFAOYSA-N 1 1 268.385 3.487 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccccc2C#N)CCC1(F)F ZINC001204367538 812620953 /nfs/dbraw/zinc/62/09/53/812620953.db2.gz CAIVFEITPSDRRR-UHFFFAOYSA-N 1 1 264.319 3.425 20 30 CGEDMO C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1ccccc1C#N ZINC001204372410 812623261 /nfs/dbraw/zinc/62/32/61/812623261.db2.gz DPWFZSQYXNFSSN-OALUTQOASA-N 1 1 297.446 3.397 20 30 CGEDMO CC(C)[NH+]1CCC(CN(C)Cc2ccccc2C#N)CC1 ZINC001204369745 812623401 /nfs/dbraw/zinc/62/34/01/812623401.db2.gz BNMZMGDFLZPMDL-UHFFFAOYSA-N 1 1 285.435 3.110 20 30 CGEDMO CN(C)c1ccc(C#N)cc1C[N@@H+](C)CC1CCCC1 ZINC001204421110 812634453 /nfs/dbraw/zinc/63/44/53/812634453.db2.gz CKQZVIFZNMSOHO-UHFFFAOYSA-N 1 1 271.408 3.246 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2ccc3ccccc3n2)CC1 ZINC001204502404 812657271 /nfs/dbraw/zinc/65/72/71/812657271.db2.gz DMNOKALRFJAADC-AWEZNQCLSA-N 1 1 265.360 3.360 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2Br)C1 ZINC001204540433 812674143 /nfs/dbraw/zinc/67/41/43/812674143.db2.gz PZUHKSPAMXJRJF-NSHDSACASA-N 1 1 296.183 3.433 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(F)ccc2Br)C1 ZINC001204540433 812674150 /nfs/dbraw/zinc/67/41/50/812674150.db2.gz PZUHKSPAMXJRJF-NSHDSACASA-N 1 1 296.183 3.433 20 30 CGEDMO Cc1cc(C#N)cc(C)c1Nc1cnc2c(c1)C[N@@H+](C)CC2 ZINC001215645645 815550955 /nfs/dbraw/zinc/55/09/55/815550955.db2.gz TUGLDNRKDCRTKY-UHFFFAOYSA-N 1 1 292.386 3.302 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)C[C@](C)(OC)C1CC1 ZINC001204984525 812809357 /nfs/dbraw/zinc/80/93/57/812809357.db2.gz KDKMYBXOCOBMTQ-INIZCTEOSA-N 1 1 263.381 3.125 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1OCCC#N ZINC001205610200 813023336 /nfs/dbraw/zinc/02/33/36/813023336.db2.gz HQGAKRDMYCPZPY-MRXNPFEDSA-N 1 1 272.392 3.217 20 30 CGEDMO N#CCCCO[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC001205647419 813040894 /nfs/dbraw/zinc/04/08/94/813040894.db2.gz BKZWJCXNHJELEY-OAHLLOKOSA-N 1 1 278.783 3.235 20 30 CGEDMO C=CC[C@H]([NH2+]CC1CCC(C)(C)CC1)C(=O)OCC ZINC001205659045 813043890 /nfs/dbraw/zinc/04/38/90/813043890.db2.gz AOUIFYXXAZTVLD-AWEZNQCLSA-N 1 1 267.413 3.300 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CCCCC2)C1 ZINC001205766242 813071248 /nfs/dbraw/zinc/07/12/48/813071248.db2.gz IUMPGDWZZLCYSM-HLLBOEOZSA-N 1 1 292.467 3.358 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)C)C1 ZINC001206022660 813169173 /nfs/dbraw/zinc/16/91/73/813169173.db2.gz RSSBRGNRXFUUGZ-HUUCEWRRSA-N 1 1 268.445 3.049 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CCC[C@](C)(C[NH3+])CC2)c1[O-] ZINC001206304937 813281790 /nfs/dbraw/zinc/28/17/90/813281790.db2.gz RUVWNYQAZPIZRJ-SFHVURJKSA-N 1 1 288.435 3.072 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2CCC[C@](C)(C[NH3+])CC2)c1[O-] ZINC001206304937 813281794 /nfs/dbraw/zinc/28/17/94/813281794.db2.gz RUVWNYQAZPIZRJ-SFHVURJKSA-N 1 1 288.435 3.072 20 30 CGEDMO COc1cc(C#N)cc(Nc2c[nH+]c(N(C)C)cc2C)c1 ZINC001206755207 813423290 /nfs/dbraw/zinc/42/32/90/813423290.db2.gz WENNABYJPRETLW-UHFFFAOYSA-N 1 1 282.347 3.080 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C#CC(C)C)C1 ZINC001206947449 813460563 /nfs/dbraw/zinc/46/05/63/813460563.db2.gz VYOGBRJJNJGOPZ-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCCC[C@H](C)[NH2+][C@@H](C)C(=O)OCC(C)C ZINC001207209603 813515753 /nfs/dbraw/zinc/51/57/53/813515753.db2.gz PLXWMYYLVWNSRO-KBPBESRZSA-N 1 1 255.402 3.299 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](CCc2cccc(Br)c2)C1 ZINC001207510855 813581688 /nfs/dbraw/zinc/58/16/88/813581688.db2.gz ZNIPIXSRGDNOID-CYBMUJFWSA-N 1 1 292.220 3.337 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccc(F)cc1 ZINC001207515766 813583150 /nfs/dbraw/zinc/58/31/50/813583150.db2.gz YLYASBHPBSWUHA-MKZZRHPPSA-N 1 1 258.340 3.135 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207632626 813622636 /nfs/dbraw/zinc/62/26/36/813622636.db2.gz QBRCQWCCYJGKIP-IAOVAPTHSA-N 1 1 252.361 3.202 20 30 CGEDMO N#CCC[N@@H+](CC1CCSCC1)C1CCCC1 ZINC001207747818 813644964 /nfs/dbraw/zinc/64/49/64/813644964.db2.gz PNZZDYVBQUTCRU-UHFFFAOYSA-N 1 1 252.427 3.288 20 30 CGEDMO C=CCCCCCCCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC001207895671 813666309 /nfs/dbraw/zinc/66/63/09/813666309.db2.gz CCKYUFNTJHETEJ-INIZCTEOSA-N 1 1 280.456 3.491 20 30 CGEDMO C=CCCCCCCCCC[N@H+]1CCn2nncc2C1 ZINC001207899523 813667754 /nfs/dbraw/zinc/66/77/54/813667754.db2.gz DKGQRGLMIBMDPX-UHFFFAOYSA-N 1 1 276.428 3.401 20 30 CGEDMO CCCCCCC/C=C/CN1CCN([C@@H]2CCOC2)CC1 ZINC001208119589 813698408 /nfs/dbraw/zinc/69/84/08/813698408.db2.gz FYJNGDDPGBOYNZ-GFOMBABLSA-N 1 1 294.483 3.310 20 30 CGEDMO CCCCCCC/C=C/C[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC001208119589 813698411 /nfs/dbraw/zinc/69/84/11/813698411.db2.gz FYJNGDDPGBOYNZ-GFOMBABLSA-N 1 1 294.483 3.310 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H](CO)CC[C@@H]2C)CC1 ZINC001208170052 813724140 /nfs/dbraw/zinc/72/41/40/813724140.db2.gz BZGLVMBDAIKBCE-USXIJHARSA-N 1 1 263.425 3.382 20 30 CGEDMO C=C(C)[C@@H]1CC=C(CN2C[C@@H]3C[NH+](CC)C[C@H]3C2)CC1 ZINC001208179055 813730373 /nfs/dbraw/zinc/73/03/73/813730373.db2.gz KNFKDEDWJVVMNY-SQNIBIBYSA-N 1 1 274.452 3.173 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](CC(CC)CC)C[C@H]1C ZINC001208393226 813759677 /nfs/dbraw/zinc/75/96/77/813759677.db2.gz LHHYYKGEXSCOIM-BFYDXBDKSA-N 1 1 294.483 3.461 20 30 CGEDMO N#C[C@@H]1CCCN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001208588396 813768949 /nfs/dbraw/zinc/76/89/49/813768949.db2.gz HRUQZHFNEVVEIK-OALUTQOASA-N 1 1 297.446 3.277 20 30 CGEDMO C=CCN(Cc1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC001208618076 813776648 /nfs/dbraw/zinc/77/66/48/813776648.db2.gz ROPIMAURUAMFHI-QGZVFWFLSA-N 1 1 258.409 3.016 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)C[C@@H]1CCCN(C)C1 ZINC001208618076 813776672 /nfs/dbraw/zinc/77/66/72/813776672.db2.gz ROPIMAURUAMFHI-QGZVFWFLSA-N 1 1 258.409 3.016 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)C[C@@H]1CCCN(C)C1 ZINC001208618076 813776676 /nfs/dbraw/zinc/77/66/76/813776676.db2.gz ROPIMAURUAMFHI-QGZVFWFLSA-N 1 1 258.409 3.016 20 30 CGEDMO C=CCCCC[N@H+](C)C[C@H]1CC[C@H](C(=O)OC)CC1 ZINC001208631689 813779274 /nfs/dbraw/zinc/77/92/74/813779274.db2.gz AZDINRHTMLIRIS-SHTZXODSSA-N 1 1 267.413 3.254 20 30 CGEDMO N#Cc1cccc(CCC[N@H+]2CC[C@@]3(C2)CCCCO3)c1 ZINC001208852089 813866490 /nfs/dbraw/zinc/86/64/90/813866490.db2.gz TUFKVTUETJTPHY-GOSISDBHSA-N 1 1 284.403 3.136 20 30 CGEDMO N#Cc1cccc(CCC[N@@H+]2CC[C@H](N3CCCCC3)C2)c1 ZINC001208853525 813867787 /nfs/dbraw/zinc/86/77/87/813867787.db2.gz PHHSHNFGKWNHDX-IBGZPJMESA-N 1 1 297.446 3.051 20 30 CGEDMO N#Cc1cccc(CCC[N@H+]2CC[C@H](N3CCCCC3)C2)c1 ZINC001208853525 813867794 /nfs/dbraw/zinc/86/77/94/813867794.db2.gz PHHSHNFGKWNHDX-IBGZPJMESA-N 1 1 297.446 3.051 20 30 CGEDMO N#Cc1ccc(CCC[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)cc1 ZINC001208857359 813870473 /nfs/dbraw/zinc/87/04/73/813870473.db2.gz ZMQNGHFWXGESFH-IYBDPMFKSA-N 1 1 290.357 3.468 20 30 CGEDMO C[N@H+](CCCc1ccc(C#N)cc1)CC(=O)c1ccccc1 ZINC001208863893 813871394 /nfs/dbraw/zinc/87/13/94/813871394.db2.gz FETYLVQWGLNXAR-UHFFFAOYSA-N 1 1 292.382 3.306 20 30 CGEDMO C[N@@H+](CCCc1ccc(C#N)cc1)CC(=O)c1ccccc1 ZINC001208863893 813871402 /nfs/dbraw/zinc/87/14/02/813871402.db2.gz FETYLVQWGLNXAR-UHFFFAOYSA-N 1 1 292.382 3.306 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCc2ccc(C#N)cc2)C[C@@H]1C ZINC001208921099 813902062 /nfs/dbraw/zinc/90/20/62/813902062.db2.gz ZDPFHGFODISPHX-CABCVRRESA-N 1 1 256.393 3.469 20 30 CGEDMO N#CC[C@@H]1CCCN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208947842 813907646 /nfs/dbraw/zinc/90/76/46/813907646.db2.gz DNXIBWFAGOMJFW-OALUTQOASA-N 1 1 297.446 3.134 20 30 CGEDMO N#CC[C@@H]1CCCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208947842 813907654 /nfs/dbraw/zinc/90/76/54/813907654.db2.gz DNXIBWFAGOMJFW-OALUTQOASA-N 1 1 297.446 3.134 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208947842 813907659 /nfs/dbraw/zinc/90/76/59/813907659.db2.gz DNXIBWFAGOMJFW-OALUTQOASA-N 1 1 297.446 3.134 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208947842 813907665 /nfs/dbraw/zinc/90/76/65/813907665.db2.gz DNXIBWFAGOMJFW-OALUTQOASA-N 1 1 297.446 3.134 20 30 CGEDMO C=CCN(CC[N@H+](CCC)[C@H](C)CC)C(=O)OCC ZINC001209015667 813916959 /nfs/dbraw/zinc/91/69/59/813916959.db2.gz QODYFZHJUIICQR-CQSZACIVSA-N 1 1 270.417 3.141 20 30 CGEDMO C=CCCCC[N@H+](C)CCc1ccc2c(c1)CCO2 ZINC001209148947 813947845 /nfs/dbraw/zinc/94/78/45/813947845.db2.gz PNTKPOQXJOPIDP-UHFFFAOYSA-N 1 1 259.393 3.452 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)OC(C)(C)C)CC[C@H]1C ZINC001209160236 813952439 /nfs/dbraw/zinc/95/24/39/813952439.db2.gz KXEVKMZKPIAIPQ-ZIAGYGMSSA-N 1 1 282.428 3.330 20 30 CGEDMO C=CCCC[N@H+](CC)CCN(C)C(=O)OC(C)(C)C ZINC001209163688 813953410 /nfs/dbraw/zinc/95/34/10/813953410.db2.gz HLXOZKWGTWLOLX-UHFFFAOYSA-N 1 1 270.417 3.141 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)OC(C)(C)C)[C@H]1C ZINC001209163430 813954225 /nfs/dbraw/zinc/95/42/25/813954225.db2.gz DWAVDQZAWFGZIN-KGLIPLIRSA-N 1 1 282.428 3.330 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CC(C)(C)C)C1 ZINC001209187934 813959431 /nfs/dbraw/zinc/95/94/31/813959431.db2.gz LQJSPUBCNHCHPO-ARFHVFGLSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCCC[N@@H+](Cc1ccccc1)CC(OC)OC ZINC001209201847 813965078 /nfs/dbraw/zinc/96/50/78/813965078.db2.gz VINJVLVUCGYZSP-UHFFFAOYSA-N 1 1 277.408 3.464 20 30 CGEDMO C=CCCCC[N@H+]1CC[C@H]2OCCC[C@@]2(COCC=C)C1 ZINC001209200081 813965150 /nfs/dbraw/zinc/96/51/50/813965150.db2.gz GEZLJZMSTJIZKQ-MSOLQXFVSA-N 1 1 293.451 3.416 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@]2(C[C@H](OCC=C)CO2)C1 ZINC001209202933 813966598 /nfs/dbraw/zinc/96/65/98/813966598.db2.gz RPRLKCRKRLCXCE-IRXDYDNUSA-N 1 1 279.424 3.169 20 30 CGEDMO C#CCCC[N@@H+](CC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001209260878 813986592 /nfs/dbraw/zinc/98/65/92/813986592.db2.gz IIWQUXNPGAILIH-UHFFFAOYSA-N 1 1 287.403 3.244 20 30 CGEDMO C#CCCC[N@H+](CC(=O)OC(C)(C)C)Cc1ccccc1 ZINC001209260878 813986597 /nfs/dbraw/zinc/98/65/97/813986597.db2.gz IIWQUXNPGAILIH-UHFFFAOYSA-N 1 1 287.403 3.244 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)[C@H]1C ZINC001209261525 813987607 /nfs/dbraw/zinc/98/76/07/813987607.db2.gz CEAKNRLXDOGQPP-HUUCEWRRSA-N 1 1 294.439 3.025 20 30 CGEDMO C#CCCC[N@H+]1C[C@H]2CCC[C@@]2(COCc2cccnc2)C1 ZINC001209263581 813987814 /nfs/dbraw/zinc/98/78/14/813987814.db2.gz OVTHWBLIINTEPR-MOPGFXCFSA-N 1 1 298.430 3.114 20 30 CGEDMO C#CCCC[N@H+]1CCO[C@@](C)(c2ccc(Cl)cc2)C1 ZINC001209268980 813990078 /nfs/dbraw/zinc/99/00/78/813990078.db2.gz CEVKAIGJYKKEAM-MRXNPFEDSA-N 1 1 277.795 3.301 20 30 CGEDMO C#CCCC[N@H+](CC)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001209268088 813990340 /nfs/dbraw/zinc/99/03/40/813990340.db2.gz TWCTYKXLCIJDEH-OAHLLOKOSA-N 1 1 294.439 3.121 20 30 CGEDMO C=CC[N@@H+](C)CCCCCCNC(=O)OC(C)(C)C ZINC001209358822 814004028 /nfs/dbraw/zinc/00/40/28/814004028.db2.gz LMQLIMZUCWBDCX-UHFFFAOYSA-N 1 1 270.417 3.189 20 30 CGEDMO C=CCCCCC[N@H+]1CCN2C(=O)c3ccccc3[C@H]2C1 ZINC001209422673 814023774 /nfs/dbraw/zinc/02/37/74/814023774.db2.gz FZUGSAHHJHVISJ-QGZVFWFLSA-N 1 1 284.403 3.246 20 30 CGEDMO C=CCCCCC[N@@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001209428542 814029765 /nfs/dbraw/zinc/02/97/65/814029765.db2.gz KPZCIYWRWQECDN-MRXNPFEDSA-N 1 1 260.381 3.201 20 30 CGEDMO C=CCCCCC[N@H+]1CCO[C@@H](c2ccccn2)C1 ZINC001209428542 814029769 /nfs/dbraw/zinc/02/97/69/814029769.db2.gz KPZCIYWRWQECDN-MRXNPFEDSA-N 1 1 260.381 3.201 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@@H](Oc2cnccn2)C1 ZINC001209433460 814035073 /nfs/dbraw/zinc/03/50/73/814035073.db2.gz XKYISLVMSDTZJC-OAHLLOKOSA-N 1 1 275.396 3.066 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CCC[C@H](C(=O)OC)C1 ZINC001209437991 814036168 /nfs/dbraw/zinc/03/61/68/814036168.db2.gz BCROUQDIFAWJSX-HNNXBMFYSA-N 1 1 267.413 3.398 20 30 CGEDMO C=CCCCCCC[N@@H+]1Cc2nccn2C[C@@H](COC)C1 ZINC001209435893 814036305 /nfs/dbraw/zinc/03/63/05/814036305.db2.gz OSRVNQABWLBUCA-INIZCTEOSA-N 1 1 291.439 3.098 20 30 CGEDMO C=CCCCCCC[NH+]1C[C@H]2CN(CC)C[C@@H]2C1 ZINC001209438929 814039723 /nfs/dbraw/zinc/03/97/23/814039723.db2.gz YHWJSZSCWYGOPY-HZPDHXFCSA-N 1 1 250.430 3.006 20 30 CGEDMO C=CCCCCCCC[N@H+]1C[C@H]2C[C@@]2(CN(C)C)C1 ZINC001209442007 814040777 /nfs/dbraw/zinc/04/07/77/814040777.db2.gz MXVPIHIZUHBIAU-IAGOWNOFSA-N 1 1 264.457 3.397 20 30 CGEDMO C=CCCCCCCC[N@@H+]1C[C@H]2C[C@@]2(CN(C)C)C1 ZINC001209442007 814040786 /nfs/dbraw/zinc/04/07/86/814040786.db2.gz MXVPIHIZUHBIAU-IAGOWNOFSA-N 1 1 264.457 3.397 20 30 CGEDMO C=CCCCCCC[N@H+]1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001209440862 814041417 /nfs/dbraw/zinc/04/14/17/814041417.db2.gz QGOMCIOCVRVHCA-OKILXGFUSA-N 1 1 273.367 3.336 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2C)C1 ZINC001209443334 814042626 /nfs/dbraw/zinc/04/26/26/814042626.db2.gz QTCKZKIDOMSUPA-SJORKVTESA-N 1 1 292.467 3.456 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2c[nH]c3cc(F)ccc23)C1 ZINC001209694196 814113868 /nfs/dbraw/zinc/11/38/68/814113868.db2.gz KAUXKFPRTZTXGK-LBPRGKRZSA-N 1 1 256.324 3.152 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)CC(C)C)C1 ZINC001210110845 814295402 /nfs/dbraw/zinc/29/54/02/814295402.db2.gz FYIAXFHEXAGMKJ-IXDOHACOSA-N 1 1 294.483 3.461 20 30 CGEDMO Cc1[nH+]c2ccc(F)cn2c1NC1=CC(=O)CC(C)(C)C1 ZINC001210150771 814313935 /nfs/dbraw/zinc/31/39/35/814313935.db2.gz LJCSVLFUGTUCIB-UHFFFAOYSA-N 1 1 287.338 3.467 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)CC(C)C)C1 ZINC001210225092 814353708 /nfs/dbraw/zinc/35/37/08/814353708.db2.gz AZHZOXOGZGFBGA-GVDBMIGSSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](CC)C(C)C)C1 ZINC001210421423 814451292 /nfs/dbraw/zinc/45/12/92/814451292.db2.gz NZJUTYHPMZZWOJ-BZUAXINKSA-N 1 1 280.456 3.071 20 30 CGEDMO Cc1[nH+]c2ccc(F)cn2c1NC1=CC(=O)C[C@@H](C)C1 ZINC001210772194 814618666 /nfs/dbraw/zinc/61/86/66/814618666.db2.gz ZWWHUGQMLKCASN-VIFPVBQESA-N 1 1 273.311 3.077 20 30 CGEDMO C=CC[C@H]1CCCC[C@H]1NC(=O)Nc1cc(C)[nH+]c(C)c1 ZINC001215828567 815608454 /nfs/dbraw/zinc/60/84/54/815608454.db2.gz IWHANPAPYJZKOS-GOEBONIOSA-N 1 1 287.407 3.377 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)C(C)C)[C@@H]2C1 ZINC001221436324 816314627 /nfs/dbraw/zinc/31/46/27/816314627.db2.gz UHRYOZXJSNBDKB-BRWVUGGUSA-N 1 1 292.467 3.168 20 30 CGEDMO C/C=C(\C)C(=O)N1C[C@H]2CC[N@H+](CCCCCCC)C[C@H]21 ZINC001221473691 816316913 /nfs/dbraw/zinc/31/69/13/816316913.db2.gz ITKUQSSFIXXUHD-KZIQZQBPSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)/C=C(\C)CC)[C@@H]2C1 ZINC001221533220 816319649 /nfs/dbraw/zinc/31/96/49/816319649.db2.gz CMKDQLYYHMUYOV-GMFKRJRZSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C(C)CCC(=O)N1C[C@H]2CC[N@H+](CCCCC)C[C@H]21 ZINC001221584954 816321157 /nfs/dbraw/zinc/32/11/57/816321157.db2.gz LKBBFGZULAKELL-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCF)[C@@H]2C1 ZINC001221746898 816324753 /nfs/dbraw/zinc/32/47/53/816324753.db2.gz FTMGKNFGJZDOAY-HZPDHXFCSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CCCC3CC3)[C@@H]2C1 ZINC001221758618 816326588 /nfs/dbraw/zinc/32/65/88/816326588.db2.gz YIVIGHLYFKVUPG-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001221794576 816328122 /nfs/dbraw/zinc/32/81/22/816328122.db2.gz QRQWCPQVCHWNEY-MRXNPFEDSA-N 1 1 293.455 3.003 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C3(CCC)CC3)[C@@H]2C1 ZINC001221801412 816328318 /nfs/dbraw/zinc/32/83/18/816328318.db2.gz XCPLDGXDUJFFDA-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)CC(C)C)[C@@H]2C1 ZINC001221940242 816336114 /nfs/dbraw/zinc/33/61/14/816336114.db2.gz BLALRZPNZQFSCM-GVDBMIGSSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](CC)C(C)(C)C)[C@@H]2C1 ZINC001221944503 816336584 /nfs/dbraw/zinc/33/65/84/816336584.db2.gz RGHBYSONYWFOQH-BZUAXINKSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]2CC[N@@H+](CCC3CC3)[C@H]2C1 ZINC001222781997 816517314 /nfs/dbraw/zinc/51/73/14/816517314.db2.gz UNWNWRSONDHMFQ-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H](C=C)CC)C[C@@H]21 ZINC001223338306 816608124 /nfs/dbraw/zinc/60/81/24/816608124.db2.gz LNXOIJSVHHUCHL-BBWFWOEESA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H](C=C)CC)C[C@@H]21 ZINC001223338307 816608429 /nfs/dbraw/zinc/60/84/29/816608429.db2.gz LNXOIJSVHHUCHL-ZACQAIPSSA-N 1 1 290.451 3.088 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H](O[C@H](C#N)c2ccccc2)C1 ZINC001223708296 816668619 /nfs/dbraw/zinc/66/86/19/816668619.db2.gz BFTTZLKPLUUUFC-HZPDHXFCSA-N 1 1 258.365 3.141 20 30 CGEDMO C=C(C)CCCOC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001224279033 816765634 /nfs/dbraw/zinc/76/56/34/816765634.db2.gz LIGMYYHGBGRPTE-GOSISDBHSA-N 1 1 289.419 3.260 20 30 CGEDMO C=C(C)CCCOC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001224279033 816765638 /nfs/dbraw/zinc/76/56/38/816765638.db2.gz LIGMYYHGBGRPTE-GOSISDBHSA-N 1 1 289.419 3.260 20 30 CGEDMO C=CCCO[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC001224334895 816780840 /nfs/dbraw/zinc/78/08/40/816780840.db2.gz HMGQFGMFUKKPLT-RDJZCZTQSA-N 1 1 259.393 3.490 20 30 CGEDMO C=CCCO[C@@H]1CCC[N@H+]([C@H](C)c2ccccn2)C1 ZINC001224339173 816782261 /nfs/dbraw/zinc/78/22/61/816782261.db2.gz FRYONPVSQQXVOW-HUUCEWRRSA-N 1 1 260.381 3.200 20 30 CGEDMO Cc1ccc(N2CCC[C@@H](Oc3ccccc3C#N)C2)[nH+]c1 ZINC001225198879 816957505 /nfs/dbraw/zinc/95/75/05/816957505.db2.gz MKNZIYLQEOXHNG-MRXNPFEDSA-N 1 1 293.370 3.310 20 30 CGEDMO C=C(C)C[C@@H](Oc1cccnc1C[NH+](C)C)C(=C)C ZINC001225282689 816993780 /nfs/dbraw/zinc/99/37/80/816993780.db2.gz WBASENAHVHDWIA-MRXNPFEDSA-N 1 1 260.381 3.433 20 30 CGEDMO Cc1cc(C#N)cc(C)c1O[C@H]1CCC[N@H+](C)CC1 ZINC001226522618 817385346 /nfs/dbraw/zinc/38/53/46/817385346.db2.gz YWUMLJZHCYALTK-HNNXBMFYSA-N 1 1 258.365 3.038 20 30 CGEDMO C[N@H+]1CCC[C@@H](Oc2nc(C(C)(C)C)ccc2C#N)CC1 ZINC001226547161 817394563 /nfs/dbraw/zinc/39/45/63/817394563.db2.gz QZBYQGRGJYSFSU-CQSZACIVSA-N 1 1 287.407 3.114 20 30 CGEDMO C[N@H+]1CCC[C@H](Oc2ccc(C(F)(F)F)cc2C#N)CC1 ZINC001226999508 817530612 /nfs/dbraw/zinc/53/06/12/817530612.db2.gz QKSPDPAHZZPNQD-ZDUSSCGKSA-N 1 1 298.308 3.440 20 30 CGEDMO C=C[C@H](CCC)Oc1cc2c(cc1OC)CC[NH+]=C2 ZINC001228088962 817808581 /nfs/dbraw/zinc/80/85/81/817808581.db2.gz HJXWKMRFNJAINN-CQSZACIVSA-N 1 1 259.349 3.404 20 30 CGEDMO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1csc(C)c1 ZINC001231169116 818049398 /nfs/dbraw/zinc/04/93/98/818049398.db2.gz DGJZQMDRTBSPHD-HNNXBMFYSA-N 1 1 292.448 3.055 20 30 CGEDMO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1csc(C)c1 ZINC001231169116 818049403 /nfs/dbraw/zinc/04/94/03/818049403.db2.gz DGJZQMDRTBSPHD-HNNXBMFYSA-N 1 1 292.448 3.055 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCC(C)(C)C ZINC001231226921 818061549 /nfs/dbraw/zinc/06/15/49/818061549.db2.gz STWULOFNLAUSEB-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO CCCCCCC[N@@H+](C)Cc1cccc(C(=O)OC)n1 ZINC001231425967 818099018 /nfs/dbraw/zinc/09/90/18/818099018.db2.gz OGKAJWZNXQZRFV-UHFFFAOYSA-N 1 1 278.396 3.270 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccc(C#N)cc1OC ZINC001231620629 818137768 /nfs/dbraw/zinc/13/77/68/818137768.db2.gz GVRFRPAEGHEFHZ-UHFFFAOYSA-N 1 1 258.365 3.355 20 30 CGEDMO C=CCOc1cccc(CN2CCC([N@H+](C)CC)CC2)c1 ZINC001231623927 818139504 /nfs/dbraw/zinc/13/95/04/818139504.db2.gz BNOAPJKMERRZSY-UHFFFAOYSA-N 1 1 288.435 3.168 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CCOc3ccccc3C2)c1 ZINC001231659090 818150934 /nfs/dbraw/zinc/15/09/34/818150934.db2.gz FKBZIGUBXRSCRO-UHFFFAOYSA-N 1 1 263.340 3.063 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CCCC[C@H]2CCOC)c1 ZINC001231659515 818152034 /nfs/dbraw/zinc/15/20/34/818152034.db2.gz NXUVXEPPAGYFEU-KRWDZBQOSA-N 1 1 257.377 3.059 20 30 CGEDMO C#Cc1cccc(CN(C)CC[N@@H+](C)Cc2ccccc2)c1 ZINC001231661150 818152494 /nfs/dbraw/zinc/15/24/94/818152494.db2.gz OUVFAPLGORNAFK-UHFFFAOYSA-N 1 1 292.426 3.232 20 30 CGEDMO C#Cc1cccc(C[N@@H+](C)CCN(C)Cc2ccccc2)c1 ZINC001231661150 818152497 /nfs/dbraw/zinc/15/24/97/818152497.db2.gz OUVFAPLGORNAFK-UHFFFAOYSA-N 1 1 292.426 3.232 20 30 CGEDMO C#Cc1cccc(C[N@H+](C)CCN(C)Cc2ccccc2)c1 ZINC001231661150 818152499 /nfs/dbraw/zinc/15/24/99/818152499.db2.gz OUVFAPLGORNAFK-UHFFFAOYSA-N 1 1 292.426 3.232 20 30 CGEDMO C#Cc1cccc(C[N@@H+](Cc2ccco2)C2CC2)c1 ZINC001231660254 818152552 /nfs/dbraw/zinc/15/25/52/818152552.db2.gz AMESNAYYCOEJKH-UHFFFAOYSA-N 1 1 251.329 3.426 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CC[C@@H](Oc3ncccc3C)C2)c1 ZINC001231662647 818153203 /nfs/dbraw/zinc/15/32/03/818153203.db2.gz FFQXMFRHPQXBAS-GOSISDBHSA-N 1 1 292.382 3.025 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC001231870699 818194068 /nfs/dbraw/zinc/19/40/68/818194068.db2.gz OPTIDEOCTFEHNX-LBPRGKRZSA-N 1 1 263.768 3.199 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1Cl ZINC001232111442 818258146 /nfs/dbraw/zinc/25/81/46/818258146.db2.gz GXBRFQNYOPGWTA-ZBFHGGJFSA-N 1 1 290.794 3.213 20 30 CGEDMO C[N@@H+](CCc1ccccn1)Cc1ccc(C#N)c(Cl)c1 ZINC001232111048 818259110 /nfs/dbraw/zinc/25/91/10/818259110.db2.gz ZPJRSDJQHRJOEU-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccnc3c(F)cccc23)C1 ZINC001232212329 818278918 /nfs/dbraw/zinc/27/89/18/818278918.db2.gz QTILJGSXJWIYQK-CYBMUJFWSA-N 1 1 268.335 3.219 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(OCc2ccccc2)nc1 ZINC001232357215 818327965 /nfs/dbraw/zinc/32/79/65/818327965.db2.gz HCPCBBFTFPAIEM-UHFFFAOYSA-N 1 1 268.360 3.278 20 30 CGEDMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(C#N)ccn2)cc1 ZINC001232481321 818367182 /nfs/dbraw/zinc/36/71/82/818367182.db2.gz ZHYNROYIVVDBKX-SFHVURJKSA-N 1 1 293.370 3.299 20 30 CGEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(C#N)ccn2)cc1 ZINC001232481321 818367184 /nfs/dbraw/zinc/36/71/84/818367184.db2.gz ZHYNROYIVVDBKX-SFHVURJKSA-N 1 1 293.370 3.299 20 30 CGEDMO CC[N@@H+](C)C1CCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC001232608875 818393759 /nfs/dbraw/zinc/39/37/59/818393759.db2.gz YBXDNLVXNLENKP-UHFFFAOYSA-N 1 1 291.826 3.128 20 30 CGEDMO CCCCCCC[N@@H+](C)Cc1c[nH]c2ncncc12 ZINC001232657171 818412235 /nfs/dbraw/zinc/41/22/35/818412235.db2.gz PUGLECABZGOCPX-UHFFFAOYSA-N 1 1 260.385 3.312 20 30 CGEDMO C=CC[N@@H+](Cc1c[nH]c2ncncc12)Cc1ccccc1 ZINC001232658515 818412306 /nfs/dbraw/zinc/41/23/06/818412306.db2.gz GZCJJHFRELOBKQ-UHFFFAOYSA-N 1 1 278.359 3.098 20 30 CGEDMO CC[N@@H+](Cc1cccs1)Cc1cc(C#N)ccc1[O-] ZINC001232677493 818418026 /nfs/dbraw/zinc/41/80/26/818418026.db2.gz DQSJGRPCDODVAQ-UHFFFAOYSA-N 1 1 272.373 3.347 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cc(OC)c(C)cc1OC ZINC001232829928 818449790 /nfs/dbraw/zinc/44/97/90/818449790.db2.gz BCEPSGXNTRGRET-UHFFFAOYSA-N 1 1 261.365 3.186 20 30 CGEDMO CC[N@H+](Cc1ccc(C#N)s1)Cc1cccnc1 ZINC001232844081 818454289 /nfs/dbraw/zinc/45/42/89/818454289.db2.gz NLRXHUUXCIXUKU-UHFFFAOYSA-N 1 1 257.362 3.037 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)s1)Cc1cccnc1 ZINC001232844081 818454292 /nfs/dbraw/zinc/45/42/92/818454292.db2.gz NLRXHUUXCIXUKU-UHFFFAOYSA-N 1 1 257.362 3.037 20 30 CGEDMO CC[N@H+](Cc1ccccc1O)Cc1cc(F)ccc1C#N ZINC001232893415 818466276 /nfs/dbraw/zinc/46/62/76/818466276.db2.gz XEXYHYDHYGEXQZ-UHFFFAOYSA-N 1 1 284.334 3.425 20 30 CGEDMO CC[N@@H+](Cc1ccccc1O)Cc1cc(F)ccc1C#N ZINC001232893415 818466281 /nfs/dbraw/zinc/46/62/81/818466281.db2.gz XEXYHYDHYGEXQZ-UHFFFAOYSA-N 1 1 284.334 3.425 20 30 CGEDMO Cc1ccnn1C1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001232893777 818467119 /nfs/dbraw/zinc/46/71/19/818467119.db2.gz JUDSMRZBRMICIG-UHFFFAOYSA-N 1 1 298.365 3.039 20 30 CGEDMO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@@H]1Cc2ccccc2O1 ZINC001232892526 818467315 /nfs/dbraw/zinc/46/73/15/818467315.db2.gz OFGCBPKHWVMYNX-KRWDZBQOSA-N 1 1 296.345 3.133 20 30 CGEDMO C[N@H+](Cc1cc(F)ccc1C#N)C[C@@H]1Cc2ccccc2O1 ZINC001232892526 818467318 /nfs/dbraw/zinc/46/73/18/818467318.db2.gz OFGCBPKHWVMYNX-KRWDZBQOSA-N 1 1 296.345 3.133 20 30 CGEDMO Cc1ccc(C[N@H+](C)CCOc2ccccc2)c(C#N)c1 ZINC001232965901 818484728 /nfs/dbraw/zinc/48/47/28/818484728.db2.gz ASKYZXWODUZVPC-UHFFFAOYSA-N 1 1 280.371 3.378 20 30 CGEDMO Cc1ccc(C[N@@H+](C)CCOc2ccccc2)c(C#N)c1 ZINC001232965901 818484734 /nfs/dbraw/zinc/48/47/34/818484734.db2.gz ASKYZXWODUZVPC-UHFFFAOYSA-N 1 1 280.371 3.378 20 30 CGEDMO Cc1cc(C)c(C[N@@H+]2CCc3ccc(C#N)cc3C2)cn1 ZINC001233005034 818498415 /nfs/dbraw/zinc/49/84/15/818498415.db2.gz IEVDMXQKXACBEK-UHFFFAOYSA-N 1 1 277.371 3.128 20 30 CGEDMO Cc1cc(C)c(C[N@H+]2CCc3ccc(C#N)cc3C2)cn1 ZINC001233005034 818498420 /nfs/dbraw/zinc/49/84/20/818498420.db2.gz IEVDMXQKXACBEK-UHFFFAOYSA-N 1 1 277.371 3.128 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001233079478 818518827 /nfs/dbraw/zinc/51/88/27/818518827.db2.gz DWAZENWPRLQKIB-CABCVRRESA-N 1 1 276.330 3.344 20 30 CGEDMO Cc1cc(C#N)ccc1C[NH+]1CC2(C1)CC(F)(F)CS2 ZINC001233082213 818519061 /nfs/dbraw/zinc/51/90/61/818519061.db2.gz GCSLJEUIHBRIGM-UHFFFAOYSA-N 1 1 294.370 3.193 20 30 CGEDMO C=CC[N@H+](Cc1ccc(N(C)C)nc1F)C(C)(C)C ZINC001233120233 818526961 /nfs/dbraw/zinc/52/69/61/818526961.db2.gz OXLJVYQFMJYJNT-UHFFFAOYSA-N 1 1 265.376 3.073 20 30 CGEDMO CCCCCCC[N@@H+](C)Cc1cc(C)c[nH]c1=O ZINC001233193243 818538521 /nfs/dbraw/zinc/53/85/21/818538521.db2.gz UWCUXEZQUFWRDD-UHFFFAOYSA-N 1 1 250.386 3.498 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](c3ccccc3)C2)c(O)c1 ZINC001233383283 818604892 /nfs/dbraw/zinc/60/48/92/818604892.db2.gz COWLXSIZMVFXFF-INIZCTEOSA-N 1 1 278.355 3.253 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3ccccc3)C2)c(O)c1 ZINC001233383283 818604894 /nfs/dbraw/zinc/60/48/94/818604894.db2.gz COWLXSIZMVFXFF-INIZCTEOSA-N 1 1 278.355 3.253 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccn(C(=O)OC(C)(C)C)c2)C1 ZINC001233432292 818617457 /nfs/dbraw/zinc/61/74/57/818617457.db2.gz FCTYNXLITWBLOE-AWEZNQCLSA-N 1 1 288.391 3.117 20 30 CGEDMO CCCCCCC[N@@H+](C)CCCNC(=O)[C@@H]1C[C@@H]1C ZINC001233519126 818630977 /nfs/dbraw/zinc/63/09/77/818630977.db2.gz ZVSUUZNVRRZZAS-LSDHHAIUSA-N 1 1 268.445 3.051 20 30 CGEDMO C[N@H+]1CCC[C@H](Oc2ccc3cccc(C#N)c3c2)C1 ZINC001233565982 818642951 /nfs/dbraw/zinc/64/29/51/818642951.db2.gz CYLDWGZSMQUTPJ-INIZCTEOSA-N 1 1 266.344 3.184 20 30 CGEDMO CCCCCCC[N@@H+](C)CCCNC(=O)c1cc(C)on1 ZINC001233696444 818683804 /nfs/dbraw/zinc/68/38/04/818683804.db2.gz OMMLNAVUUFSHPE-UHFFFAOYSA-N 1 1 295.427 3.005 20 30 CGEDMO C=CCCCCC[N@H+](C)CCCNC(=O)c1ccoc1C ZINC001233766993 818701635 /nfs/dbraw/zinc/70/16/35/818701635.db2.gz OCWRVLYONLBIGZ-UHFFFAOYSA-N 1 1 292.423 3.386 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)cs1 ZINC001234086901 818775757 /nfs/dbraw/zinc/77/57/57/818775757.db2.gz FDYMSFWBIQRIQY-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)CCCNC(=O)C(CC)CC ZINC001234189545 818799714 /nfs/dbraw/zinc/79/97/14/818799714.db2.gz UWJJYGXAHYACRJ-AWEZNQCLSA-N 1 1 268.445 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C(CC=C)CC=C ZINC001234517819 818871796 /nfs/dbraw/zinc/87/17/96/818871796.db2.gz QBWAMWJTBJMVJF-KRWDZBQOSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC[C@@H](C)CCC ZINC001234546428 818880856 /nfs/dbraw/zinc/88/08/56/818880856.db2.gz LITBRAFCRWXLMF-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)C(C)C ZINC001234563477 818882456 /nfs/dbraw/zinc/88/24/56/818882456.db2.gz RFHXAAFLNCUOPR-OAHLLOKOSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCCCCN1CCC[C@]2(CCC[NH2+]2)CC1 ZINC001235042257 818988247 /nfs/dbraw/zinc/98/82/47/818988247.db2.gz XASIJKTVUKZURB-MRXNPFEDSA-N 1 1 250.430 3.341 20 30 CGEDMO Cc1ccc(CN2CCC([C@@H]3CCCC[NH2+]3)CC2)c(C#N)c1 ZINC001235242097 819045793 /nfs/dbraw/zinc/04/57/93/819045793.db2.gz RBWYZXGMZVPUOX-IBGZPJMESA-N 1 1 297.446 3.221 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2cc3cccc(F)c3[nH]2)CC1 ZINC001235245805 819047110 /nfs/dbraw/zinc/04/71/10/819047110.db2.gz CHDMIYYUISYJBL-LBPRGKRZSA-N 1 1 271.339 3.433 20 30 CGEDMO C=CCCCCC[N@H+](C)CCCNC(=O)CCC=C ZINC001235452131 819103261 /nfs/dbraw/zinc/10/32/61/819103261.db2.gz VZAVSSOSBUDNQX-UHFFFAOYSA-N 1 1 266.429 3.137 20 30 CGEDMO N#CCc1ccccc1C[N@@H+]1CCCC(F)(F)[C@@H](F)C1 ZINC001235512752 819112711 /nfs/dbraw/zinc/11/27/11/819112711.db2.gz VCUXRNCYWUXGKZ-AWEZNQCLSA-N 1 1 282.309 3.322 20 30 CGEDMO N#CCc1ccccc1C[N@H+]1CCCC(F)(F)[C@@H](F)C1 ZINC001235512752 819112714 /nfs/dbraw/zinc/11/27/14/819112714.db2.gz VCUXRNCYWUXGKZ-AWEZNQCLSA-N 1 1 282.309 3.322 20 30 CGEDMO N#CCc1ccccc1C[N@H+]1CCc2ccsc2C1 ZINC001235522826 819114211 /nfs/dbraw/zinc/11/42/11/819114211.db2.gz JXWYTBTVXOWIBP-UHFFFAOYSA-N 1 1 268.385 3.372 20 30 CGEDMO COc1cccc2c1CC[N@@H+](Cc1ccccc1CC#N)C2 ZINC001235525578 819114400 /nfs/dbraw/zinc/11/44/00/819114400.db2.gz PBHPECXIWYMVDU-UHFFFAOYSA-N 1 1 292.382 3.320 20 30 CGEDMO CC(C)[N@@H+](Cc1ccccc1CC#N)C1CCN(C)CC1 ZINC001235526701 819116539 /nfs/dbraw/zinc/11/65/39/819116539.db2.gz FRPZAYDPPXVZLX-UHFFFAOYSA-N 1 1 285.435 3.057 20 30 CGEDMO CC(C)(C)c1ccc(C[N@@H+]2CC[C@H](C#N)C2)c(O)c1 ZINC001235680188 819139590 /nfs/dbraw/zinc/13/95/90/819139590.db2.gz SZQXCEXBESYKNX-GFCCVEGCSA-N 1 1 258.365 3.035 20 30 CGEDMO CC(C)(C)c1ccc(C[N@H+]2CC[C@H](C#N)C2)c(O)c1 ZINC001235680188 819139594 /nfs/dbraw/zinc/13/95/94/819139594.db2.gz SZQXCEXBESYKNX-GFCCVEGCSA-N 1 1 258.365 3.035 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)C[C@H]1[C@H](C)CNCC1(F)F ZINC001235963097 819250832 /nfs/dbraw/zinc/25/08/32/819250832.db2.gz UFCPOCDUIAGEPV-ZBFHGGJFSA-N 1 1 294.389 3.165 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCc3ccc(N)cc3C2)c1 ZINC001236231153 819393756 /nfs/dbraw/zinc/39/37/56/819393756.db2.gz HSJLQCFGKJUVHW-UHFFFAOYSA-N 1 1 294.398 3.392 20 30 CGEDMO C[N@H+]1CCc2ccc(-c3ccc(C#N)cc3F)cc2C1 ZINC001236535020 819525971 /nfs/dbraw/zinc/52/59/71/819525971.db2.gz RRPIQYDOKLJVMQ-UHFFFAOYSA-N 1 1 266.319 3.352 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cc(F)cc3c2OCCC3)C1 ZINC001236623593 819555236 /nfs/dbraw/zinc/55/52/36/819555236.db2.gz PGRHISZQMKJPPQ-CYBMUJFWSA-N 1 1 288.366 3.276 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2cc(F)cc3c2OCCC3)C1 ZINC001236623593 819555242 /nfs/dbraw/zinc/55/52/42/819555242.db2.gz PGRHISZQMKJPPQ-CYBMUJFWSA-N 1 1 288.366 3.276 20 30 CGEDMO C=CC[N@H+](C)Cc1sc(Br)cc1C ZINC001236824033 819608108 /nfs/dbraw/zinc/60/81/08/819608108.db2.gz DSAOMUSRCVXDQP-UHFFFAOYSA-N 1 1 260.200 3.437 20 30 CGEDMO CO[C@@H]1CCC[N@@H+](Cc2cn(C)c3ccc(C#N)cc23)CC1 ZINC001237473927 819759632 /nfs/dbraw/zinc/75/96/32/819759632.db2.gz ZIEKQWWQHJILJK-MRXNPFEDSA-N 1 1 297.402 3.051 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC3(CCC3)C2)c(F)cc1F ZINC001237535048 819773507 /nfs/dbraw/zinc/77/35/07/819773507.db2.gz SVBLSVAWANSFRN-UHFFFAOYSA-N 1 1 262.303 3.212 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC3(CCC3)C2)c(F)cc1F ZINC001237535048 819773512 /nfs/dbraw/zinc/77/35/12/819773512.db2.gz SVBLSVAWANSFRN-UHFFFAOYSA-N 1 1 262.303 3.212 20 30 CGEDMO CCCC[N@@H+](CC)Cc1cc(C#N)c(F)cc1F ZINC001237531955 819773733 /nfs/dbraw/zinc/77/37/33/819773733.db2.gz MPIXWFKKWZUNQR-UHFFFAOYSA-N 1 1 252.308 3.458 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1c(OC)ccc(OC)c1F ZINC001237578990 819779877 /nfs/dbraw/zinc/77/98/77/819779877.db2.gz FGPMVBGVUAAPGQ-UHFFFAOYSA-N 1 1 267.344 3.241 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1c(OC)ccc(OC)c1F ZINC001237578990 819779882 /nfs/dbraw/zinc/77/98/82/819779882.db2.gz FGPMVBGVUAAPGQ-UHFFFAOYSA-N 1 1 267.344 3.241 20 30 CGEDMO Cc1ccnc2cccc(C[N@@H+]3CCC[C@H](C#N)C3)c12 ZINC001237631792 819792746 /nfs/dbraw/zinc/79/27/46/819792746.db2.gz XFPYKMWDJKGQPS-CQSZACIVSA-N 1 1 265.360 3.279 20 30 CGEDMO Cc1ccnc2cccc(C[N@H+]3CCC[C@H](C#N)C3)c12 ZINC001237631792 819792750 /nfs/dbraw/zinc/79/27/50/819792750.db2.gz XFPYKMWDJKGQPS-CQSZACIVSA-N 1 1 265.360 3.279 20 30 CGEDMO CCOc1ccc(C[N@@H+]2CCC[C@@H](C#N)CC2)c(F)c1 ZINC001237634585 819794192 /nfs/dbraw/zinc/79/41/92/819794192.db2.gz KACACHVLYWFDDH-CYBMUJFWSA-N 1 1 276.355 3.350 20 30 CGEDMO CCOc1ccc(C[N@H+]2CCC[C@@H](C#N)CC2)c(F)c1 ZINC001237634585 819794196 /nfs/dbraw/zinc/79/41/96/819794196.db2.gz KACACHVLYWFDDH-CYBMUJFWSA-N 1 1 276.355 3.350 20 30 CGEDMO Cc1cnc(C[NH+]2CCC(c3cccc(C#N)c3)CC2)nc1 ZINC001237806559 819846863 /nfs/dbraw/zinc/84/68/63/819846863.db2.gz QGLWEWGPTQJQDQ-UHFFFAOYSA-N 1 1 292.386 3.036 20 30 CGEDMO C#CC[N@H+](C)Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC001237895553 819871890 /nfs/dbraw/zinc/87/18/90/819871890.db2.gz AQSZIUCOCAFLIH-UHFFFAOYSA-N 1 1 293.292 3.161 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c(Cl)c1 ZINC001238080692 819927565 /nfs/dbraw/zinc/92/75/65/819927565.db2.gz UGYHXBYQWFJZOI-HOCLYGCPSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)c(Cl)c1 ZINC001238084082 819928277 /nfs/dbraw/zinc/92/82/77/819928277.db2.gz ZFTGEBCJUBKYRR-BBRMVZONSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)c(Cl)c1 ZINC001238084082 819928282 /nfs/dbraw/zinc/92/82/82/819928282.db2.gz ZFTGEBCJUBKYRR-BBRMVZONSA-N 1 1 290.794 3.213 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@@H](C(F)F)C2)ccc1C#N ZINC001238410111 819987640 /nfs/dbraw/zinc/98/76/40/819987640.db2.gz VUTWBOLRVZMHNX-CYBMUJFWSA-N 1 1 280.318 3.044 20 30 CGEDMO CCc1cc(C[N@@H+]2CCC[C@@](C)(F)C2)ccc1C#N ZINC001238766903 820111889 /nfs/dbraw/zinc/11/18/89/820111889.db2.gz QKFFDSQXDZOFDB-MRXNPFEDSA-N 1 1 260.356 3.445 20 30 CGEDMO CCc1cc(C[N@H+]2CCC[C@@](C)(F)C2)ccc1C#N ZINC001238766903 820111895 /nfs/dbraw/zinc/11/18/95/820111895.db2.gz QKFFDSQXDZOFDB-MRXNPFEDSA-N 1 1 260.356 3.445 20 30 CGEDMO C[C@@H](C#N)c1ccc(-c2ccc(C[NH+]3CC(O)C3)cc2)cc1 ZINC001243640956 823473249 /nfs/dbraw/zinc/47/32/49/823473249.db2.gz ABGBFHMDKNRNIN-AWEZNQCLSA-N 1 1 292.382 3.157 20 30 CGEDMO C[N@H+]1CCCC[C@@H]1c1ccc(-c2ccc(C#N)nc2)nc1 ZINC001241426164 821822818 /nfs/dbraw/zinc/82/28/18/821822818.db2.gz NJSSSSABVJAESH-QGZVFWFLSA-N 1 1 278.359 3.172 20 30 CGEDMO C[N@H+]1CC[C@H](c2ccc(-c3cccnc3C#N)cc2)C1 ZINC001242314166 822948785 /nfs/dbraw/zinc/94/87/85/822948785.db2.gz SNUAIAFAJOFHKK-HNNXBMFYSA-N 1 1 263.344 3.039 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)C[C@H]1C[C@]1(C)Br ZINC001335416595 936144461 /nfs/dbraw/zinc/14/44/61/936144461.db2.gz JPACGLVXDDGVAL-YPMHNXCESA-N 1 1 287.245 3.422 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@H]1C[C@]1(C)Br ZINC001335416595 936144465 /nfs/dbraw/zinc/14/44/65/936144465.db2.gz JPACGLVXDDGVAL-YPMHNXCESA-N 1 1 287.245 3.422 20 30 CGEDMO C#Cc1ccc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)nc1 ZINC001339579866 936378892 /nfs/dbraw/zinc/37/88/92/936378892.db2.gz YRTZKDKSICFDFQ-SJLPKXTDSA-N 1 1 297.446 3.154 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(-c2cnn(C)c2)cc1)C(C)C ZINC001339599192 936379684 /nfs/dbraw/zinc/37/96/84/936379684.db2.gz HYHAOWKXFIHSQI-UHFFFAOYSA-N 1 1 269.392 3.484 20 30 CGEDMO C#CCCCCCC[N@H+]1C[C@@H](N2CCCC2)[C@@H](SC)C1 ZINC001341080541 936427334 /nfs/dbraw/zinc/42/73/34/936427334.db2.gz YYWJWQAQAXTDQT-SJORKVTESA-N 1 1 294.508 3.082 20 30 CGEDMO C#CCCCCCCN1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC001341080541 936427338 /nfs/dbraw/zinc/42/73/38/936427338.db2.gz YYWJWQAQAXTDQT-SJORKVTESA-N 1 1 294.508 3.082 20 30 CGEDMO CC(C)(C)OC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)s1 ZINC001341946061 936455577 /nfs/dbraw/zinc/45/55/77/936455577.db2.gz QFQMUHAMFGDFNH-LBPRGKRZSA-N 1 1 278.421 3.399 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC001343393658 936498421 /nfs/dbraw/zinc/49/84/21/936498421.db2.gz NKOARFUEMPNEQR-GFCCVEGCSA-N 1 1 269.747 3.256 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC001343393658 936498422 /nfs/dbraw/zinc/49/84/22/936498422.db2.gz NKOARFUEMPNEQR-GFCCVEGCSA-N 1 1 269.747 3.256 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OCC2CC2)cc1)CC1CC1 ZINC001343584978 936506834 /nfs/dbraw/zinc/50/68/34/936506834.db2.gz QPMAENALPZRKMS-UHFFFAOYSA-N 1 1 269.388 3.321 20 30 CGEDMO C#CC[N@@H+](Cc1sc(N2CCCCC2)nc1C)C1CC1 ZINC001347781127 936895340 /nfs/dbraw/zinc/89/53/40/936895340.db2.gz BKBKUQJHQXWBLX-UHFFFAOYSA-N 1 1 289.448 3.039 20 30 CGEDMO C#CC[N@H+](Cc1sc(N2CCCCC2)nc1C)C1CC1 ZINC001347781127 936895344 /nfs/dbraw/zinc/89/53/44/936895344.db2.gz BKBKUQJHQXWBLX-UHFFFAOYSA-N 1 1 289.448 3.039 20 30 CGEDMO C#CCOCC[N@H+]1C[C@H]2CCCC[C@@]21c1ccccc1 ZINC001350364552 936989595 /nfs/dbraw/zinc/98/95/95/936989595.db2.gz MTSBESDCNLIJAC-QZTJIDSGSA-N 1 1 269.388 3.038 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H](C[N@@H+](C)CC=C(C)C)C1 ZINC001480073218 937005867 /nfs/dbraw/zinc/00/58/67/937005867.db2.gz RKTCIHBBEACRLI-INIZCTEOSA-N 1 1 278.440 3.089 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CCOCC3(CCC3)C2)c1 ZINC001351301547 937014242 /nfs/dbraw/zinc/01/42/42/937014242.db2.gz LNUZJWZXHJHHKC-UHFFFAOYSA-N 1 1 290.794 3.214 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCOCC3(CCC3)C2)c1 ZINC001351301547 937014244 /nfs/dbraw/zinc/01/42/44/937014244.db2.gz LNUZJWZXHJHHKC-UHFFFAOYSA-N 1 1 290.794 3.214 20 30 CGEDMO CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@@H](C)CCC)C1 ZINC001480073742 937009773 /nfs/dbraw/zinc/00/97/73/937009773.db2.gz VXTAERLKGHBWLT-IRXDYDNUSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccc(CC(C)C)nc2)C1 ZINC001352015794 937031891 /nfs/dbraw/zinc/03/18/91/937031891.db2.gz JTXQYJYAPIVDGH-KRWDZBQOSA-N 1 1 274.408 3.057 20 30 CGEDMO C=CCCC[N@H+](CC)CC(=O)N(C)[C@H](C)CC(C)C ZINC001473862162 937825572 /nfs/dbraw/zinc/82/55/72/937825572.db2.gz XIBIVFMFXWMSGC-OAHLLOKOSA-N 1 1 268.445 3.168 20 30 CGEDMO C=CCC(C)(C)C(=O)NCC[N@H+](C)CC1CC(C)(C)C1 ZINC001480917513 926788199 /nfs/dbraw/zinc/78/81/99/926788199.db2.gz NWYBIFWFRAGYLX-UHFFFAOYSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)C[C@H]1C=CCCC1 ZINC001481045016 926872942 /nfs/dbraw/zinc/87/29/42/926872942.db2.gz GLHKSRZPERMTDY-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H]2CCC[N@H+]2CCCCCF)C1 ZINC001481056738 926875004 /nfs/dbraw/zinc/87/50/04/926875004.db2.gz MIUCIPIXDKKKCJ-HNNXBMFYSA-N 1 1 296.430 3.063 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001481060918 926876634 /nfs/dbraw/zinc/87/66/34/926876634.db2.gz NNNOFAKVMKDWJD-DAYGRLMNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001481084457 926884274 /nfs/dbraw/zinc/88/42/74/926884274.db2.gz WKPIHLCOMQBWMW-HOTGVXAUSA-N 1 1 286.419 3.152 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](CNC(=O)C2(CCC)CC2)C1 ZINC001481109595 926888503 /nfs/dbraw/zinc/88/85/03/926888503.db2.gz BEIIFNAXNPFELZ-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CCNC(=O)C1CC(C)(C)C1)C1CC1 ZINC001481166357 926899504 /nfs/dbraw/zinc/89/95/04/926899504.db2.gz JZOYXUAETQMNRX-CQSZACIVSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@@H+](CCNC(=O)c1ccc(C)c(C)c1)C1CC1 ZINC001481195102 926906122 /nfs/dbraw/zinc/90/61/22/926906122.db2.gz GTHHQFZPQFJWNV-UHFFFAOYSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](CCNC(=O)C(CC)(CC)CC)C1 ZINC001481457060 926989387 /nfs/dbraw/zinc/98/93/87/926989387.db2.gz BNZCJPYINQVUBQ-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@H+](C)CC1CCN(C(=O)c2ccccc2)CC1 ZINC001481508908 927007465 /nfs/dbraw/zinc/00/74/65/927007465.db2.gz IRXBBUNGYUNPJZ-UHFFFAOYSA-N 1 1 286.419 3.047 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1CCC[N@@H+](C[C@@H](F)CC)C1 ZINC001481525680 927014314 /nfs/dbraw/zinc/01/43/14/927014314.db2.gz CHHDBVIMUXJNEO-JKSUJKDBSA-N 1 1 296.430 3.084 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1CCC[N@H+](C[C@@H](F)CC)C1 ZINC001481525680 927014327 /nfs/dbraw/zinc/01/43/27/927014327.db2.gz CHHDBVIMUXJNEO-JKSUJKDBSA-N 1 1 296.430 3.084 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](CCC)CC(C)C)C1 ZINC001481530379 927015748 /nfs/dbraw/zinc/01/57/48/927015748.db2.gz PKRQGZGUJUUNMF-DLBZAZTESA-N 1 1 292.467 3.053 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CCC)CC(C)C)C1 ZINC001481530379 927015760 /nfs/dbraw/zinc/01/57/60/927015760.db2.gz PKRQGZGUJUUNMF-DLBZAZTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CCC[N@H+](C[C@H](C)CC)C2)CCC1 ZINC001481528237 927015991 /nfs/dbraw/zinc/01/59/91/927015991.db2.gz APHDJDVJLPFBPH-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCCCC(C)C)C1 ZINC001481694274 927061533 /nfs/dbraw/zinc/06/15/33/927061533.db2.gz BRCGSOMNEMSMMD-INIZCTEOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)C2CCCCCC2)C1 ZINC001481720494 927074194 /nfs/dbraw/zinc/07/41/94/927074194.db2.gz NXZIZDXBPJDFGF-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccoc2C)C1 ZINC001481758033 927080050 /nfs/dbraw/zinc/08/00/50/927080050.db2.gz VQFQBTHXGRGVRX-HNNXBMFYSA-N 1 1 290.407 3.091 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H](CC)CC(C)C)C1 ZINC001481779572 927085961 /nfs/dbraw/zinc/08/59/61/927085961.db2.gz UJAJUCNWLKECSM-IRXDYDNUSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[N@H+](C)CCC1CCN(C(=O)/C=C(\C)CC)CC1 ZINC001482504864 927272103 /nfs/dbraw/zinc/27/21/03/927272103.db2.gz UIPHNGSVYZDJKX-FOCLMDBBSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCCCC(=O)N1CC2(C1)CCC[N@H+](C[C@H](C)CC)C2 ZINC001506865267 927410397 /nfs/dbraw/zinc/41/03/97/927410397.db2.gz IOMKUFXDVVDRQP-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@@H]2C2CCCCC2)CCC1 ZINC001307421489 927460730 /nfs/dbraw/zinc/46/07/30/927460730.db2.gz GYRGHLZPCOOPFZ-IAGOWNOFSA-N 1 1 290.451 3.476 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)c1cccc(Cl)c1C ZINC001483340875 927485736 /nfs/dbraw/zinc/48/57/36/927485736.db2.gz FABCNFPDNWCFEO-GFCCVEGCSA-N 1 1 294.826 3.275 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)c1cccs1 ZINC001483382174 927496348 /nfs/dbraw/zinc/49/63/48/927496348.db2.gz AXWRCOYAAYAXES-ZIAGYGMSSA-N 1 1 294.464 3.254 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)c1sccc1C1CC1 ZINC001483416331 927502105 /nfs/dbraw/zinc/50/21/05/927502105.db2.gz GEGOZWHEOUGVED-GFCCVEGCSA-N 1 1 292.448 3.252 20 30 CGEDMO C=CC[N@H+](C)C[C@H](C)NC(=O)C/C=C\c1ccc(C)cc1 ZINC001483431374 927506200 /nfs/dbraw/zinc/50/62/00/927506200.db2.gz SMJQRRYLZGGGRG-WLMCBFPDSA-N 1 1 286.419 3.021 20 30 CGEDMO C=C[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CCC(=C)C)c1ccccc1 ZINC001483707845 927581154 /nfs/dbraw/zinc/58/11/54/927581154.db2.gz FXJZIOONPKNVKK-ROUUACIJSA-N 1 1 298.430 3.113 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]1CNC(=O)c1coc2ccccc12 ZINC001483704553 927581255 /nfs/dbraw/zinc/58/12/55/927581255.db2.gz BAWFXGNGTXRFGK-AWEZNQCLSA-N 1 1 298.386 3.203 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C/C=C(\C)C=C)C2)C1 ZINC001483833123 927630124 /nfs/dbraw/zinc/63/01/24/927630124.db2.gz IKHFNQNGJHIYIY-ROBMAMTRSA-N 1 1 288.435 3.009 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)C[C@@H](CC)C(C)C)C1 ZINC001484067330 927670253 /nfs/dbraw/zinc/67/02/53/927670253.db2.gz IVUUCCTZHAIQQB-WBVHZDCISA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)C[C@@H]2CC=CCC2)C1 ZINC001484169678 927686234 /nfs/dbraw/zinc/68/62/34/927686234.db2.gz ZHIQEELVTHABBV-AEFFLSMTSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]2C[N@@H+](CC(=C)Cl)C[C@H]21 ZINC001484472366 927709744 /nfs/dbraw/zinc/70/97/44/927709744.db2.gz DUORJNIFNFERAU-LSDHHAIUSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]2C[N@H+](CC(=C)Cl)C[C@H]21 ZINC001484472366 927709757 /nfs/dbraw/zinc/70/97/57/927709757.db2.gz DUORJNIFNFERAU-LSDHHAIUSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2CCCN(C(=O)/C(C)=C/C)[C@@H]2C1 ZINC001484470034 927710760 /nfs/dbraw/zinc/71/07/60/927710760.db2.gz QXRYRIIOAKACHV-IWFDSZEGSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CC=CCC1 ZINC001484732301 927743921 /nfs/dbraw/zinc/74/39/21/927743921.db2.gz OAQPMYYAQWPBLW-MRXNPFEDSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCCC[N@H+](C)CCCN(C)C(=O)c1ccsc1C ZINC001484742033 927748372 /nfs/dbraw/zinc/74/83/72/927748372.db2.gz NBULLXBGDJTKCZ-UHFFFAOYSA-N 1 1 294.464 3.417 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCc1ccc2c(c1)C[N@@H+](CC)C2 ZINC001484873689 927762865 /nfs/dbraw/zinc/76/28/65/927762865.db2.gz IFFSOGDOQCEXOT-UHFFFAOYSA-N 1 1 286.419 3.241 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)[C@@H](C)C1 ZINC001484969444 927777435 /nfs/dbraw/zinc/77/74/35/927777435.db2.gz WPUUXKOPCYAKPE-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC1(C(=O)N2CC[NH2+][C@H](c3ccccc3)C2)CCCC1 ZINC001358287588 937192658 /nfs/dbraw/zinc/19/26/58/937192658.db2.gz OKOBQAKFWIVGPN-KRWDZBQOSA-N 1 1 298.430 3.296 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C)CCCC ZINC001485054996 927792515 /nfs/dbraw/zinc/79/25/15/927792515.db2.gz JVISMWCHYISUHA-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)/C(C)=C\CC ZINC001485051989 927795690 /nfs/dbraw/zinc/79/56/90/927795690.db2.gz SMTVXQHXTUKCQH-IZNAZMGOSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1ccsc1C ZINC001485303675 927846532 /nfs/dbraw/zinc/84/65/32/927846532.db2.gz LOHVEMJAFAMPIQ-OLZOCXBDSA-N 1 1 294.464 3.461 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)CNC(=O)c1ccc(CCCC)cc1 ZINC001485327486 927849074 /nfs/dbraw/zinc/84/90/74/927849074.db2.gz VSWQJFOSWDERNJ-OAHLLOKOSA-N 1 1 288.435 3.265 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)c1ccc2c(c1)CCC=C2 ZINC001485377693 927860790 /nfs/dbraw/zinc/86/07/90/927860790.db2.gz PJOPTLUONSKNFX-OAHLLOKOSA-N 1 1 298.430 3.272 20 30 CGEDMO C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)CC[C@H](C)CC ZINC001485482796 927878494 /nfs/dbraw/zinc/87/84/94/927878494.db2.gz PJTKLTYLOSZPEN-SJORKVTESA-N 1 1 292.467 3.197 20 30 CGEDMO C#CCCCCC(=O)N[C@@H]1C[N@H+](CCCCC)CC1(C)C ZINC001485563675 927888460 /nfs/dbraw/zinc/88/84/60/927888460.db2.gz DVGZLAIBDBABRA-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C#CCCCC(=O)N[C@H]1C[N@H+](CCC(C)(C)C)CC1(C)C ZINC001485567996 927889984 /nfs/dbraw/zinc/88/99/84/927889984.db2.gz QWSDVMNYMSPJMV-HNNXBMFYSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C(CC)(CC)CC)[C@@H]2C1 ZINC001485620138 927892266 /nfs/dbraw/zinc/89/22/66/927892266.db2.gz WDOMNSNSICSYQL-PHZGNYQRSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)C2(C)CCC2)C(C)(C)C1 ZINC001485574674 927893111 /nfs/dbraw/zinc/89/31/11/927893111.db2.gz WDURXQXEABPUHW-LSDHHAIUSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC(C)(C)C)C[C@@H]2C1 ZINC001485653755 927895407 /nfs/dbraw/zinc/89/54/07/927895407.db2.gz KLSJNRDQYVIHNB-XHSDSOJGSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)C2CC(C)C2)CC1 ZINC001485755235 927913635 /nfs/dbraw/zinc/91/36/35/927913635.db2.gz DZPBKHBRLTZZII-HWOWSKLDSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)CC2CCCCC2)CC1 ZINC001485751881 927916853 /nfs/dbraw/zinc/91/68/53/927916853.db2.gz KNYYYAFTZJGIJQ-UHFFFAOYSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@H+]1CC[C@]2(NC(=O)C=C(C)C)CCC[C@@H]12 ZINC001486141502 927988913 /nfs/dbraw/zinc/98/89/13/927988913.db2.gz URTIPIUADNXHGM-NVXWUHKLSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CCC[N@@H+](CCCF)[C@H]1C ZINC001486172948 927993225 /nfs/dbraw/zinc/99/32/25/927993225.db2.gz AWZPBOYMHPDGIY-HOCLYGCPSA-N 1 1 296.430 3.084 20 30 CGEDMO CCC(CC)C[N@H+]1CCC[C@H](NC(=O)C#CC(C)C)[C@@H]1C ZINC001486174332 927997675 /nfs/dbraw/zinc/99/76/75/927997675.db2.gz UOGSBJUTRBFPLA-RDJZCZTQSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C(=O)C=C(C)C)C(C)C ZINC001486360624 928007068 /nfs/dbraw/zinc/00/70/68/928007068.db2.gz DYWGDZVVWLYNAZ-UHFFFAOYSA-N 1 1 266.429 3.088 20 30 CGEDMO CC#CC[N@@H+](C)CCN(C(=O)[C@H]1CCC(C)(C)C1)C(C)C ZINC001486374966 928014554 /nfs/dbraw/zinc/01/45/54/928014554.db2.gz PDPRBDZVGATFPZ-INIZCTEOSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCC[N@H+](CC)Cc1ccsc1 ZINC001493014252 928086929 /nfs/dbraw/zinc/08/69/29/928086929.db2.gz CIITVSICEDFIRW-MRXNPFEDSA-N 1 1 294.464 3.289 20 30 CGEDMO C=C1CC(C)(C(=O)NCC[N@H+](CC)C[C@H](C)CC(C)C)C1 ZINC001493017313 928088429 /nfs/dbraw/zinc/08/84/29/928088429.db2.gz WDTSLRRHSQGDNV-OAHLLOKOSA-N 1 1 294.483 3.463 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@](C)(CF)C1 ZINC001171210023 928201385 /nfs/dbraw/zinc/20/13/85/928201385.db2.gz OYQZEACJGZEYIP-CZUORRHYSA-N 1 1 260.356 3.171 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@]2(C1)CCCCO2 ZINC001171208803 928201550 /nfs/dbraw/zinc/20/15/50/928201550.db2.gz FBZZYRRTDSSXTP-MAUKXSAKSA-N 1 1 284.403 3.134 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@](C)(F)C1 ZINC001171208874 928201770 /nfs/dbraw/zinc/20/17/70/928201770.db2.gz GKZHCJNLAHZUMH-CZUORRHYSA-N 1 1 260.356 3.313 20 30 CGEDMO C[C@@H]1CC[N@@H+](C2CCC(CC#N)CC2)CC1(F)F ZINC001173330543 928229199 /nfs/dbraw/zinc/22/91/99/928229199.db2.gz CBVSHHOOAGKWSH-PNESKVBLSA-N 1 1 256.340 3.436 20 30 CGEDMO C[C@@H]1CC[N@H+](C2CCC(CC#N)CC2)CC1(F)F ZINC001173330543 928229212 /nfs/dbraw/zinc/22/92/12/928229212.db2.gz CBVSHHOOAGKWSH-PNESKVBLSA-N 1 1 256.340 3.436 20 30 CGEDMO CC(=O)Nc1cc(Nc2ccc(Cl)c(C#N)c2)cc[nH+]1 ZINC001174402434 928232651 /nfs/dbraw/zinc/23/26/51/928232651.db2.gz HYPSUTHBLWWWPS-UHFFFAOYSA-N 1 1 286.722 3.309 20 30 CGEDMO C#CC[N@H+](CCCOc1cccc(Cl)c1)C(C)C ZINC001198026578 928269695 /nfs/dbraw/zinc/26/96/95/928269695.db2.gz GXCQCHOIBIZSOR-UHFFFAOYSA-N 1 1 265.784 3.453 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@](C)(C=C)CC ZINC001488653401 928289500 /nfs/dbraw/zinc/28/95/00/928289500.db2.gz IVIZJINKZVALRF-WBVHZDCISA-N 1 1 278.440 3.088 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@@H+](CC(=C)C)[C@@H]1CC ZINC001489129072 928313176 /nfs/dbraw/zinc/31/31/76/928313176.db2.gz VIQKJBZDRZDZFD-OWCLPIDISA-N 1 1 278.440 3.134 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](CCC)C(C)C)[C@H]1C ZINC001489293019 928324919 /nfs/dbraw/zinc/32/49/19/928324919.db2.gz GLPVFYZGJFSDBJ-PMPSAXMXSA-N 1 1 280.456 3.214 20 30 CGEDMO CC[N@@H+](CCCNC(=O)C#CC(C)C)CC1CCCCC1 ZINC001490323070 928346107 /nfs/dbraw/zinc/34/61/07/928346107.db2.gz GZEBTJLNAAYQLW-UHFFFAOYSA-N 1 1 292.467 3.054 20 30 CGEDMO CC#CC[N@@H+](CC)CCCNC(=O)CC1(C)CCCCC1 ZINC001490335230 928348135 /nfs/dbraw/zinc/34/81/35/928348135.db2.gz ALPRTDIVZOIRGD-UHFFFAOYSA-N 1 1 292.467 3.198 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCCC[N@H+](CC(C)C)C1CC1 ZINC001490380448 928352839 /nfs/dbraw/zinc/35/28/39/928352839.db2.gz BGPCEYQGYMFZCU-UHFFFAOYSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CCC[N@@H+](CC)CCCNC(=O)c1ccc(C2CC2)cc1 ZINC001490362805 928353773 /nfs/dbraw/zinc/35/37/73/928353773.db2.gz ZNECAJWUYZNQTF-UHFFFAOYSA-N 1 1 298.430 3.029 20 30 CGEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](CCCCC)C(C)C)C1 ZINC001490454491 928364909 /nfs/dbraw/zinc/36/49/09/928364909.db2.gz GMCRNJRVQFXSJZ-IRXDYDNUSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CCCCC)C(C)C)C1 ZINC001490454491 928364917 /nfs/dbraw/zinc/36/49/17/928364917.db2.gz GMCRNJRVQFXSJZ-IRXDYDNUSA-N 1 1 292.467 3.053 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001490560934 928370886 /nfs/dbraw/zinc/37/08/86/928370886.db2.gz DUHVVWKWFUBXRV-OWCLPIDISA-N 1 1 280.456 3.193 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](CCC)CC(C)C)C1 ZINC001490579565 928375167 /nfs/dbraw/zinc/37/51/67/928375167.db2.gz FTWFFFJYVXBZHE-JKSUJKDBSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)CCCC)C1 ZINC001490757557 928388101 /nfs/dbraw/zinc/38/81/01/928388101.db2.gz AOADIMBSOVVHNN-CVEARBPZSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)C[C@@H](C)CCC)C1 ZINC001317753971 928396795 /nfs/dbraw/zinc/39/67/95/928396795.db2.gz NVVAJTGEWDTJLH-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)C[C@H](C)CC(C)C)C1 ZINC001317856579 928407159 /nfs/dbraw/zinc/40/71/59/928407159.db2.gz HMVAZPZTQVQWLA-SJORKVTESA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCCC[NH+]1CC(NC(=O)c2cc(Cl)ccc2C)C1 ZINC001318071554 928422614 /nfs/dbraw/zinc/42/26/14/928422614.db2.gz PWWOVTVIBHDZFQ-UHFFFAOYSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(C)cc1C ZINC001202755514 928448175 /nfs/dbraw/zinc/44/81/75/928448175.db2.gz YUJIRKASALIMRP-HNNXBMFYSA-N 1 1 287.407 3.075 20 30 CGEDMO C[N@H+]1CCc2ccc(NC3=CC[C@@H](C#N)CC3)cc2C1 ZINC001212866644 928658925 /nfs/dbraw/zinc/65/89/25/928658925.db2.gz CWCGHWBZTWILHZ-CYBMUJFWSA-N 1 1 267.376 3.294 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](C[C@@H](C)c2ccc(OC)cc2)C1 ZINC001327498161 928670125 /nfs/dbraw/zinc/67/01/25/928670125.db2.gz DRQKXOWHUFTMBJ-RHSMWYFYSA-N 1 1 275.392 3.076 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@@H](OC)C[C@@H]1C(=O)OC ZINC001459818235 928726572 /nfs/dbraw/zinc/72/65/72/928726572.db2.gz ILAHNEPLCIODDU-HZPDHXFCSA-N 1 1 299.455 3.389 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]2C[N@@H+](CC(C)C)CC[C@@H]21 ZINC001490984101 928821161 /nfs/dbraw/zinc/82/11/61/928821161.db2.gz QFMYINJONIVOLA-SJORKVTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]2C[N@@H+](CCC3CC3)CC[C@@H]21 ZINC001490982799 928821192 /nfs/dbraw/zinc/82/11/92/928821192.db2.gz DNQCEDTZOXKMRT-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001493184249 928860704 /nfs/dbraw/zinc/86/07/04/928860704.db2.gz FHFNVVHVGJYWIL-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC[N@H+](C[C@@H]1C[C@H]1C(=O)OCC)CC1CCCCC1 ZINC001459484178 937489698 /nfs/dbraw/zinc/48/96/98/937489698.db2.gz LQGFSGFSQYAEJI-JKSUJKDBSA-N 1 1 279.424 3.254 20 30 CGEDMO C=CC[C@H]([NH2+][C@@H]1CCC[C@H]1CCCC)C(=O)OC ZINC001459906676 937505877 /nfs/dbraw/zinc/50/58/77/937505877.db2.gz WLVQVGOCARGBLF-MCIONIFRSA-N 1 1 253.386 3.053 20 30 CGEDMO C[C@@H](C1CCCCC1)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC001460053150 937513660 /nfs/dbraw/zinc/51/36/60/937513660.db2.gz VPDUTZIOJSAHEA-KSSFIOAISA-N 1 1 286.419 3.492 20 30 CGEDMO C#CC[N@H+](CCSc1ccc(F)cc1F)C1CC1 ZINC001460120857 937516828 /nfs/dbraw/zinc/51/68/28/937516828.db2.gz VDCGPLWUZFHCHN-UHFFFAOYSA-N 1 1 267.344 3.155 20 30 CGEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@@H]2CC2CCCC2)CCC1 ZINC001460313277 937526628 /nfs/dbraw/zinc/52/66/28/937526628.db2.gz BBHPTWHIIMGRRB-SJORKVTESA-N 1 1 290.451 3.476 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CCc2cccc3c2OC(F)(F)O3)C1 ZINC001460510523 937533032 /nfs/dbraw/zinc/53/30/32/937533032.db2.gz FEHYYGUSHPPVFK-LBPRGKRZSA-N 1 1 295.329 3.449 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1C[C@@H](O)CCc1ccccc1 ZINC001460886776 937550120 /nfs/dbraw/zinc/55/01/20/937550120.db2.gz PQOUQZQUBUBKMF-ROUUACIJSA-N 1 1 273.420 3.411 20 30 CGEDMO C=CCC[C@@H]1CCC[N@H+]1Cc1ccc(-n2ccnc2)nc1 ZINC001460887478 937551043 /nfs/dbraw/zinc/55/10/43/937551043.db2.gz VHEKNWOCAVIIQH-MRXNPFEDSA-N 1 1 282.391 3.198 20 30 CGEDMO Cc1ncccc1C[N@@H+](C)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140117069 931955753 /nfs/dbraw/zinc/95/57/53/931955753.db2.gz LEGPISJNKMRZIL-UHFFFAOYSA-N 1 1 290.370 3.375 20 30 CGEDMO C=CCCC[N@H+](CC)CC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC001460897398 937551775 /nfs/dbraw/zinc/55/17/75/937551775.db2.gz CRRHVARIYLKFDD-AWEZNQCLSA-N 1 1 278.440 3.064 20 30 CGEDMO N#Cc1ncc(Nc2ccc3c[nH+]ccc3c2)cc1F ZINC001203055468 931960337 /nfs/dbraw/zinc/96/03/37/931960337.db2.gz NBFZRXZMBMAXBM-UHFFFAOYSA-N 1 1 264.263 3.384 20 30 CGEDMO C=CCCC[N@H+](CC)[C@@H](C)C(=O)Nc1ccccc1 ZINC001460897456 937552069 /nfs/dbraw/zinc/55/20/69/937552069.db2.gz DFQLETVNYVDWSS-AWEZNQCLSA-N 1 1 260.381 3.302 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC=CCCC1 ZINC001329473648 932002983 /nfs/dbraw/zinc/00/29/83/932002983.db2.gz BEMSLMVTIXGXIU-HZPDHXFCSA-N 1 1 278.440 3.136 20 30 CGEDMO CC[N@@H+](C)[C@H]1CCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC001460986779 937557986 /nfs/dbraw/zinc/55/79/86/937557986.db2.gz GTNRIGVHXAMFRG-INIZCTEOSA-N 1 1 285.435 3.014 20 30 CGEDMO CCCCCCCCC[N@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000193645098 932029884 /nfs/dbraw/zinc/02/98/84/932029884.db2.gz AKEQXJZQSOAZIB-IYBDPMFKSA-N 1 1 252.446 3.230 20 30 CGEDMO CCCCCCCCC[N@@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000193645098 932029894 /nfs/dbraw/zinc/02/98/94/932029894.db2.gz AKEQXJZQSOAZIB-IYBDPMFKSA-N 1 1 252.446 3.230 20 30 CGEDMO Cc1cccc(C#N)c1O[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001229182416 932112640 /nfs/dbraw/zinc/11/26/40/932112640.db2.gz FVTCLOIIDKBIEL-OAHLLOKOSA-N 1 1 258.365 3.118 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@H](C)[C@@H](C)CC)CC1 ZINC001229776844 932484436 /nfs/dbraw/zinc/48/44/36/932484436.db2.gz WTDSIMICQJMZCF-WCQYABFASA-N 1 1 286.847 3.002 20 30 CGEDMO N#CC1(c2ccc(OC3CC[NH+](CCF)CC3)cc2)CC1 ZINC001229938232 932505453 /nfs/dbraw/zinc/50/54/53/932505453.db2.gz LIJTZTNKTYLRDO-UHFFFAOYSA-N 1 1 288.366 3.054 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC)CC1 ZINC001230485447 932577568 /nfs/dbraw/zinc/57/75/68/932577568.db2.gz GHTDXRIEXIJGTM-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCC(C)C)CC1 ZINC001230513183 932580827 /nfs/dbraw/zinc/58/08/27/932580827.db2.gz LSRNCMGSMAGLFD-KRWDZBQOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1 ZINC001230622359 932600383 /nfs/dbraw/zinc/60/03/83/932600383.db2.gz XYBNYMNHBJLAEU-DOTOQJQBSA-N 1 1 286.419 3.188 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccs1 ZINC001230646522 932603124 /nfs/dbraw/zinc/60/31/24/932603124.db2.gz QGKOXLZPHTYPMY-ZIAGYGMSSA-N 1 1 292.448 3.249 20 30 CGEDMO C=CC[NH+](CC=C)Cc1c(C)nc2scc(C)n12 ZINC001462009774 937612643 /nfs/dbraw/zinc/61/26/43/937612643.db2.gz ZAMRLFKFSLGVFP-UHFFFAOYSA-N 1 1 261.394 3.187 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(C)c1 ZINC001230658845 932605161 /nfs/dbraw/zinc/60/51/61/932605161.db2.gz IGARNBDKEYSJNP-KRWDZBQOSA-N 1 1 286.419 3.108 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C)o1 ZINC001230658533 932605354 /nfs/dbraw/zinc/60/53/54/932605354.db2.gz BKLCSKLMTNZADO-UKRRQHHQSA-N 1 1 290.407 3.089 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC1CCCCC1 ZINC001230681767 932608660 /nfs/dbraw/zinc/60/86/60/932608660.db2.gz NMBVSLUEHUYNKL-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CCC(=O)N1CCC([N@H+](C)C[C@H](F)CC)CC1 ZINC001331029069 932680921 /nfs/dbraw/zinc/68/09/21/932680921.db2.gz MOWKBUBTWMUPBB-CQSZACIVSA-N 1 1 284.419 3.014 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)CC2CCC2)C1 ZINC001491923954 932796588 /nfs/dbraw/zinc/79/65/88/932796588.db2.gz VARKCNPZEPSQRY-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]([N@H+](C)CCCCC)C1 ZINC001491928058 932798272 /nfs/dbraw/zinc/79/82/72/932798272.db2.gz BQNHTYLHGVBDNK-INIZCTEOSA-N 1 1 280.456 3.456 20 30 CGEDMO CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)C(CC)CC)C1 ZINC001491933989 932798500 /nfs/dbraw/zinc/79/85/00/932798500.db2.gz GWNDFFVGIHXWOY-NVXWUHKLSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C1CC(C)C1 ZINC001492150159 932807017 /nfs/dbraw/zinc/80/70/17/932807017.db2.gz VSSMMBZYJUMDFB-JCYILVPMSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CCCF)C1 ZINC001317208492 932819341 /nfs/dbraw/zinc/81/93/41/932819341.db2.gz JYALOEIBTSJVJD-LSDHHAIUSA-N 1 1 298.446 3.165 20 30 CGEDMO C=CCCC[N@@H+](C[C@@H](O)COc1cccc(C)c1)C(C)C ZINC001307493662 932961257 /nfs/dbraw/zinc/96/12/57/932961257.db2.gz ZWOBLHCFWQHHBE-QGZVFWFLSA-N 1 1 291.435 3.411 20 30 CGEDMO CC[C@@H]([NH2+]Cc1ccncc1C#N)c1ccc(F)cc1 ZINC001307600906 932974401 /nfs/dbraw/zinc/97/44/01/932974401.db2.gz PYALNVRMHCYIQQ-MRXNPFEDSA-N 1 1 269.323 3.333 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](CC2([C@H]3CCCCO3)CCC2)C1 ZINC001307606300 932976590 /nfs/dbraw/zinc/97/65/90/932976590.db2.gz GZWPRPTUOKBHBQ-HZPDHXFCSA-N 1 1 279.424 3.003 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C[C@]1(C)CC1(Cl)Cl ZINC001307728970 932992615 /nfs/dbraw/zinc/99/26/15/932992615.db2.gz IMCGMNLRKKBGES-LBPRGKRZSA-N 1 1 279.255 3.010 20 30 CGEDMO C=CCN(C)CC[N@@H+](CC)C[C@]1(C)CC1(Cl)Cl ZINC001307728970 932992620 /nfs/dbraw/zinc/99/26/20/932992620.db2.gz IMCGMNLRKKBGES-LBPRGKRZSA-N 1 1 279.255 3.010 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)C[C@]1(C)CC1(Cl)Cl ZINC001307728970 932992623 /nfs/dbraw/zinc/99/26/23/932992623.db2.gz IMCGMNLRKKBGES-LBPRGKRZSA-N 1 1 279.255 3.010 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)C[C@@H](O)CCCCCC ZINC001307753188 932996196 /nfs/dbraw/zinc/99/61/96/932996196.db2.gz MUSIUNHQHDTLJA-SFHVURJKSA-N 1 1 273.420 3.453 20 30 CGEDMO C[N@H+](Cc1ccc([Si](C)(C)C)cc1)CC(C)(C)C#N ZINC001307792881 933002276 /nfs/dbraw/zinc/00/22/76/933002276.db2.gz HKILACAEQPASQZ-UHFFFAOYSA-N 1 1 274.484 3.213 20 30 CGEDMO C[N@@H+](Cc1ccc([Si](C)(C)C)cc1)CC(C)(C)C#N ZINC001307792881 933002285 /nfs/dbraw/zinc/00/22/85/933002285.db2.gz HKILACAEQPASQZ-UHFFFAOYSA-N 1 1 274.484 3.213 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](CCCc2cccc(F)c2)C1 ZINC001307871817 933010882 /nfs/dbraw/zinc/01/08/82/933010882.db2.gz HHYNAXLNLWTXTK-INIZCTEOSA-N 1 1 259.368 3.494 20 30 CGEDMO C=C(CC)C[N@@H+](CC1CC1)[C@](C)(CC)C(=O)OC ZINC001307861663 933012008 /nfs/dbraw/zinc/01/20/08/933012008.db2.gz XTTFAQYAERERMP-OAHLLOKOSA-N 1 1 253.386 3.006 20 30 CGEDMO CCC#C[C@H](C)[N@H+](C)CCc1ccc(OCC)cc1 ZINC001308143150 933056755 /nfs/dbraw/zinc/05/67/55/933056755.db2.gz RWLYRJPTHQLOJY-HNNXBMFYSA-N 1 1 259.393 3.362 20 30 CGEDMO CNc1ccc(C)cc1C[NH2+]Cc1cc(C#N)ccc1F ZINC001308522002 933124469 /nfs/dbraw/zinc/12/44/69/933124469.db2.gz MPHXKOCQGRPFFY-UHFFFAOYSA-N 1 1 283.350 3.337 20 30 CGEDMO CC[N@H+](CCSc1ccc(OC)cc1)C[C@@H](C)C#N ZINC001308626848 933145175 /nfs/dbraw/zinc/14/51/75/933145175.db2.gz VLLFGJPYKXGOQT-ZDUSSCGKSA-N 1 1 278.421 3.269 20 30 CGEDMO CC[N@@H+](CCSc1ccc(OC)cc1)C[C@@H](C)C#N ZINC001308626848 933145179 /nfs/dbraw/zinc/14/51/79/933145179.db2.gz VLLFGJPYKXGOQT-ZDUSSCGKSA-N 1 1 278.421 3.269 20 30 CGEDMO C[N@H+](Cc1csc(C#N)c1)Cc1cccc(F)c1 ZINC001308655281 933150652 /nfs/dbraw/zinc/15/06/52/933150652.db2.gz AYOPENUARLZAGO-UHFFFAOYSA-N 1 1 260.337 3.391 20 30 CGEDMO C[N@@H+](Cc1csc(C#N)c1)Cc1cccc(F)c1 ZINC001308655281 933150655 /nfs/dbraw/zinc/15/06/55/933150655.db2.gz AYOPENUARLZAGO-UHFFFAOYSA-N 1 1 260.337 3.391 20 30 CGEDMO C=C(C)C[C@H]([NH2+]CC1C2CC3CC(C2)CC1C3)C(=O)OC ZINC001308899990 933199336 /nfs/dbraw/zinc/19/93/36/933199336.db2.gz ALCMWJFRKXKZJC-GPHONZHMSA-N 1 1 291.435 3.156 20 30 CGEDMO C=CCC1(O)C[NH+](Cc2ccc(C(F)(F)F)c(C)c2)C1 ZINC001308980540 933219963 /nfs/dbraw/zinc/21/99/63/933219963.db2.gz RLRLXEHWKPAWHP-UHFFFAOYSA-N 1 1 285.309 3.137 20 30 CGEDMO C=CCCC(C)(C)NC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC001311689466 933310374 /nfs/dbraw/zinc/31/03/74/933310374.db2.gz OQMCZBLXUPZNIT-LSDHHAIUSA-N 1 1 295.471 3.151 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)CC)CC(C)(C)C1 ZINC001316811272 933470243 /nfs/dbraw/zinc/47/02/43/933470243.db2.gz KVRDNFNNBYFDKG-HNNXBMFYSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@@H+](CC2CC(C)(C)C2)[C@@H]1C ZINC001316790448 933479643 /nfs/dbraw/zinc/47/96/43/933479643.db2.gz FDYGQZUKZSZVAQ-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)[C@H](F)CC)[C@H]1C ZINC001316788000 933481282 /nfs/dbraw/zinc/48/12/82/933481282.db2.gz MMNWPSYOENJVMF-KFWWJZLASA-N 1 1 286.435 3.284 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)CC(C)(C)C)[C@H]1C ZINC001316798846 933483020 /nfs/dbraw/zinc/48/30/20/933483020.db2.gz DHXQOICRTIDEKJ-CABCVRRESA-N 1 1 292.467 3.051 20 30 CGEDMO C=C(C)CC[N@@H+](CCCNC(=O)C(C)=C1CCC1)C1CC1 ZINC001316914581 933494000 /nfs/dbraw/zinc/49/40/00/933494000.db2.gz JDPLEWICKSYQCL-UHFFFAOYSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)[C@@H](C)[C@H](C)C(C)(C)C)C1CC1 ZINC001316925501 933496773 /nfs/dbraw/zinc/49/67/73/933496773.db2.gz RNNRWEPTVBZVNT-GJZGRUSLSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)[C@@H]1C[C@@]1(C)C(C)C)C1CC1 ZINC001316929957 933497187 /nfs/dbraw/zinc/49/71/87/933497187.db2.gz KULUOVFLOKDXDK-WMZOPIPTSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[C@H](C(=O)N[C@H]1CCC[N@@H+](CC=C)C1)c1ccccc1 ZINC001316952211 933501229 /nfs/dbraw/zinc/50/12/29/933501229.db2.gz NPKBDSFIQDOGMF-ROUUACIJSA-N 1 1 298.430 3.113 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]2C[N@@H+](C(C)C)CC[C@@H]21 ZINC001317104878 933530806 /nfs/dbraw/zinc/53/08/06/933530806.db2.gz KVHLWYZXEVUBDR-HOTGVXAUSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)C2(C)CC(=C)C2)C1 ZINC001317135804 933539916 /nfs/dbraw/zinc/53/99/16/933539916.db2.gz RHWXWYOGASTCOQ-INIZCTEOSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001317137440 933540486 /nfs/dbraw/zinc/54/04/86/933540486.db2.gz JNSBDTIOOXKPKB-INIZCTEOSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001317137441 933541024 /nfs/dbraw/zinc/54/10/24/933541024.db2.gz JNSBDTIOOXKPKB-MRXNPFEDSA-N 1 1 292.467 3.217 20 30 CGEDMO C#CCCCCCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=C)C ZINC001317174334 933546906 /nfs/dbraw/zinc/54/69/06/933546906.db2.gz SOKNCCPFNKWHRV-KRWDZBQOSA-N 1 1 290.451 3.117 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@H](C)SC)C1 ZINC001317374101 933580284 /nfs/dbraw/zinc/58/02/84/933580284.db2.gz SYGBWEGHJPYBPO-LSDHHAIUSA-N 1 1 298.496 3.017 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)C[C@H](CC)C(C)C)C1 ZINC001317380194 933581269 /nfs/dbraw/zinc/58/12/69/933581269.db2.gz AKXTVPHPCNCWPN-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC1(C)C ZINC001317429520 933591583 /nfs/dbraw/zinc/59/15/83/933591583.db2.gz IVOFRHBIBTZITI-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)c1cccc(C)c1F ZINC001317446301 933595039 /nfs/dbraw/zinc/59/50/39/933595039.db2.gz ATJXUCJEVRUMDH-CQSZACIVSA-N 1 1 292.398 3.150 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)c1ccccc1 ZINC001317467433 933599745 /nfs/dbraw/zinc/59/97/45/933599745.db2.gz RYHHRLKCTOOIBE-CVEARBPZSA-N 1 1 288.435 3.193 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H]1CNC(=O)C12CCC(CC1)C2 ZINC001317503799 933605729 /nfs/dbraw/zinc/60/57/29/933605729.db2.gz SNSXYYIABOFOJS-PQUAAJSLSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+](CCC)CCNC(=O)[C@H](C)C(C)(C)C ZINC001317541535 933615607 /nfs/dbraw/zinc/61/56/07/933615607.db2.gz XTPBFWOSJHGRQU-AWEZNQCLSA-N 1 1 268.445 3.073 20 30 CGEDMO C=C(C)CC[N@@H+](CCNC(=O)C(C)=C1CCC1)C1CC1 ZINC001317553180 933617528 /nfs/dbraw/zinc/61/75/28/933617528.db2.gz RYVZQLOXIGQMTF-UHFFFAOYSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H](CNC(=O)/C(C)=C/C)c1ccccc1 ZINC001317715505 933636731 /nfs/dbraw/zinc/63/67/31/933636731.db2.gz OVZSQNYWAFWIJB-XANQCZFBSA-N 1 1 292.810 3.152 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)CCC2CC2)C1 ZINC001317753173 933643344 /nfs/dbraw/zinc/64/33/44/933643344.db2.gz IEYRYJYLUNZKKC-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CCC(=O)N(CCC)[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001317759360 933645346 /nfs/dbraw/zinc/64/53/46/933645346.db2.gz PBQUJTOTIRCZRE-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)CCC2CCC2)C1 ZINC001317784366 933649935 /nfs/dbraw/zinc/64/99/35/933649935.db2.gz UAQJKAVDDMGDMV-KRWDZBQOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)C[C@@H](C)CC)C1 ZINC001317782734 933650180 /nfs/dbraw/zinc/65/01/80/933650180.db2.gz QQYAKWDFPBFOMQ-HOTGVXAUSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC1C[NH+]([C@H]2CCc3ccccc32)C1 ZINC001318061410 933680822 /nfs/dbraw/zinc/68/08/22/933680822.db2.gz SWFOAVKWNDRRMJ-HKUYNNGSSA-N 1 1 298.430 3.077 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@H+](CCCCCC)C1 ZINC001318276770 933703588 /nfs/dbraw/zinc/70/35/88/933703588.db2.gz SHOVQWRZXXINLA-DOTOQJQBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[N@@H+](CC/C=C\c2ccccc2)C1 ZINC001318318915 933708030 /nfs/dbraw/zinc/70/80/30/933708030.db2.gz FBGALYKLVQERDI-RLGIIYIFSA-N 1 1 298.430 3.247 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)C(CC)CC)C1 ZINC001318411426 933722380 /nfs/dbraw/zinc/72/23/80/933722380.db2.gz DFSBCBFFOZZPPL-ZBFHGGJFSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[C@H](CCC)[NH2+]C[C@@H]1CN2CCC1CC2 ZINC001474734618 933820363 /nfs/dbraw/zinc/82/03/63/933820363.db2.gz ALOWPWVOJRDUMA-CVEARBPZSA-N 1 1 250.430 3.053 20 30 CGEDMO C=CCCC[N@H+](C)CCC1CCN(C(=O)C=C(C)C)CC1 ZINC001319875699 933949240 /nfs/dbraw/zinc/94/92/40/933949240.db2.gz ZJBOEESCPVYLFJ-UHFFFAOYSA-N 1 1 292.467 3.479 20 30 CGEDMO CCN1CCC[C@@H](C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC001319925411 933958240 /nfs/dbraw/zinc/95/82/40/933958240.db2.gz MJVWCPKIUIRUPD-QFBILLFUSA-N 1 1 297.446 3.257 20 30 CGEDMO C=CCCC(=O)N(C)CC[N@@H+](C)Cc1ccc(CF)cc1 ZINC001319981491 933971626 /nfs/dbraw/zinc/97/16/26/933971626.db2.gz QGSMOGVXBMRURX-UHFFFAOYSA-N 1 1 292.398 3.013 20 30 CGEDMO C=C(C)[C@H](CO)[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC001320089692 933996428 /nfs/dbraw/zinc/99/64/28/933996428.db2.gz WOUXSGGZBMJOON-QWRGUYRKSA-N 1 1 268.426 3.028 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)C=C)CC[C@@H]21 ZINC001320103443 934001526 /nfs/dbraw/zinc/00/15/26/934001526.db2.gz KQAPZKCCUVGJSN-HOTGVXAUSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCCCC)CC[C@H]21 ZINC001320115934 934003692 /nfs/dbraw/zinc/00/36/92/934003692.db2.gz QTGCLGRLHHVTCX-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO C[C@H](N[C@H]1CCCC[C@H]1[NH+](C)C)c1ccc(C#N)c(F)c1 ZINC001320671402 934084578 /nfs/dbraw/zinc/08/45/78/934084578.db2.gz ZVPAVTMAGUFFMF-AFAVFJNCSA-N 1 1 289.398 3.221 20 30 CGEDMO C=CC[C@H]([NH2+]C1CCC(CC)CC1)C(=O)OCC ZINC001320906247 934120659 /nfs/dbraw/zinc/12/06/59/934120659.db2.gz MWZAHRIKIWNVNO-RUXDESIVSA-N 1 1 253.386 3.053 20 30 CGEDMO CCC[N@H+]1CCCC[C@@H]1C(=O)OCCCC(C)(C)C#N ZINC001320906089 934120628 /nfs/dbraw/zinc/12/06/28/934120628.db2.gz RILAAWBHYCTWPK-CQSZACIVSA-N 1 1 280.412 3.124 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](CCSCc2ccccc2)C1 ZINC001321781704 934213698 /nfs/dbraw/zinc/21/36/98/934213698.db2.gz AMRRHGOKZAPNEI-MRXNPFEDSA-N 1 1 277.433 3.197 20 30 CGEDMO C=CC[C@@H]([NH2+]C1CCC(C)(C)CC1)C(=O)OCC ZINC001321966780 934228585 /nfs/dbraw/zinc/22/85/85/934228585.db2.gz KDILDEQLPYDMRJ-CYBMUJFWSA-N 1 1 253.386 3.053 20 30 CGEDMO C=CC[N@H+](C)C[C@@H](C)NC(=O)C[C@@H](C)CC(C)(C)C ZINC001322248134 934264002 /nfs/dbraw/zinc/26/40/02/934264002.db2.gz IYZXTXDJTXWVLF-ZIAGYGMSSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CCC1(C(=O)N[C@H](C)C[N@H+](C)C/C=C\Cl)CCCC1 ZINC001322312117 934277877 /nfs/dbraw/zinc/27/78/77/934277877.db2.gz DFEMJNPAKGENHY-SMJHDNPOSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCC1(C(=O)N[C@H](C)C[N@@H+](C)C/C=C\Cl)CCCC1 ZINC001322312117 934277884 /nfs/dbraw/zinc/27/78/84/934277884.db2.gz DFEMJNPAKGENHY-SMJHDNPOSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1C ZINC001323177328 934370146 /nfs/dbraw/zinc/37/01/46/934370146.db2.gz JNAYNDBJHZRADZ-HZPDHXFCSA-N 1 1 286.419 3.154 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)CC1(C)CCCCC1 ZINC001323259583 934377099 /nfs/dbraw/zinc/37/70/99/934377099.db2.gz SMRVXFGXTABLTH-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCCC(=O)NC[C@H]1CC[N@@H+]1CCCC(C)(C)C ZINC001323293817 934382707 /nfs/dbraw/zinc/38/27/07/934382707.db2.gz OTLYPQLKIRWGLK-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)C1CC(C(C)(C)C)C1 ZINC001323371574 934391193 /nfs/dbraw/zinc/39/11/93/934391193.db2.gz MMUVGLWXNVMJNI-UYSNPLJNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+](CC1CC1)C1CCN(C(=O)/C(C)=C/CC)CC1 ZINC001323721250 934421829 /nfs/dbraw/zinc/42/18/29/934421829.db2.gz YKEUMEJROMDVDN-GIDUJCDVSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[C@]2(C1)CCC[N@H+](CC)C2 ZINC001323803150 934428220 /nfs/dbraw/zinc/42/82/20/934428220.db2.gz LUDWUJBPZDUARU-GOSISDBHSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@H](C=C)CC)C2)C1 ZINC001323860451 934433312 /nfs/dbraw/zinc/43/33/12/934433312.db2.gz RSYXRTIYAWTUCN-AEFFLSMTSA-N 1 1 290.451 3.089 20 30 CGEDMO C#CC[N@H+](Cc1ccc(SC)s1)CC1CC1 ZINC001323968374 934444221 /nfs/dbraw/zinc/44/42/21/934444221.db2.gz UUVHUFKWOMBOPU-UHFFFAOYSA-N 1 1 251.420 3.315 20 30 CGEDMO C#CC[N@H+](C[C@H](OC(C)C)c1ccccc1)CC1CC1 ZINC001324152816 934466242 /nfs/dbraw/zinc/46/62/42/934466242.db2.gz AOKNOPCQOHCJSZ-SFHVURJKSA-N 1 1 271.404 3.498 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC ZINC001324533964 934520278 /nfs/dbraw/zinc/52/02/78/934520278.db2.gz YDPNKMYYBZCYOP-CVEARBPZSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CC[C@H]([NH2+][C@@H](C)CC1CCCC1)C(=O)OCC ZINC001324625417 934534102 /nfs/dbraw/zinc/53/41/02/934534102.db2.gz NRMYJJRNHULCAT-JSGCOSHPSA-N 1 1 253.386 3.053 20 30 CGEDMO C#CC[N@@H+](C[C@@H]1COC2(CCCCC2)O1)C1CCCCC1 ZINC001473137488 937794141 /nfs/dbraw/zinc/79/41/41/937794141.db2.gz WVASJJMJPKKTPJ-QGZVFWFLSA-N 1 1 291.435 3.330 20 30 CGEDMO C#CCC[N@H+](CCC)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001473150990 937794804 /nfs/dbraw/zinc/79/48/04/937794804.db2.gz BLQMXYYASCHUKC-LJQANCHMSA-N 1 1 284.447 3.386 20 30 CGEDMO CCC#C[C@H](C)[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC001473310900 937801462 /nfs/dbraw/zinc/80/14/62/937801462.db2.gz CINFUIYALZIADC-HNNXBMFYSA-N 1 1 297.398 3.349 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)CCCc1c(F)cccc1F ZINC001473378494 937803764 /nfs/dbraw/zinc/80/37/64/937803764.db2.gz HLMWRAVWVHTGRO-UHFFFAOYSA-N 1 1 251.320 3.241 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](CC)[C@H]2C)cc1 ZINC001473402386 937805070 /nfs/dbraw/zinc/80/50/70/937805070.db2.gz KDLDLABTQDGGPE-ZBFHGGJFSA-N 1 1 284.403 3.117 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCCCC ZINC001325915548 934939339 /nfs/dbraw/zinc/93/93/39/934939339.db2.gz DGIFTPWXKRGRCP-JKSUJKDBSA-N 1 1 278.440 3.208 20 30 CGEDMO C#C[C@H]([NH2+]Cc1ccc(F)c(OC)c1)c1ccc(F)cc1 ZINC001326021691 934944853 /nfs/dbraw/zinc/94/48/53/934944853.db2.gz MJCBVNPFZAJDSG-INIZCTEOSA-N 1 1 287.309 3.438 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@H](CO)Cc1ccccc1 ZINC001473636227 937814767 /nfs/dbraw/zinc/81/47/67/937814767.db2.gz QFBWPZLEGWTKMT-KRWDZBQOSA-N 1 1 263.425 3.492 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC001473659470 937814881 /nfs/dbraw/zinc/81/48/81/937814881.db2.gz HWSHWLKJVCJURS-OCCSQVGLSA-N 1 1 261.356 3.477 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](CCOc2ccc3c(c2)OCO3)C1 ZINC001473627695 937815051 /nfs/dbraw/zinc/81/50/51/937815051.db2.gz NFYPZBDOMDKADQ-CQSZACIVSA-N 1 1 289.375 3.082 20 30 CGEDMO C=CCCCCC[N@H+]1CC2(CCCC2)OC[C@H]1CN(C)C ZINC001473652077 937816116 /nfs/dbraw/zinc/81/61/16/937816116.db2.gz YLDFHRPFIGFOQG-QGZVFWFLSA-N 1 1 294.483 3.308 20 30 CGEDMO C=CCCCCC[N@@H+]1CC2(CCCC2)OC[C@H]1CN(C)C ZINC001473652077 937816118 /nfs/dbraw/zinc/81/61/18/937816118.db2.gz YLDFHRPFIGFOQG-QGZVFWFLSA-N 1 1 294.483 3.308 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC001473719698 937818823 /nfs/dbraw/zinc/81/88/23/937818823.db2.gz MXTLMEYNDCIHDD-XJKSGUPXSA-N 1 1 272.392 3.377 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CC(C)=C(C)C)CC1 ZINC001327141337 935035551 /nfs/dbraw/zinc/03/55/51/935035551.db2.gz CWRUUNLWSJWBKN-OAHLLOKOSA-N 1 1 298.858 3.456 20 30 CGEDMO C=CCCC(=O)N1CCC[C@]2(CC[N@H+](CC[C@H](C)F)C2)C1 ZINC001327523549 935066842 /nfs/dbraw/zinc/06/68/42/935066842.db2.gz CSMFTHNTRYYELS-DOTOQJQBSA-N 1 1 296.430 3.015 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1CC[N@H+](CC/C=C\CC)[C@@H](C)C1 ZINC001328240624 935127277 /nfs/dbraw/zinc/12/72/77/935127277.db2.gz PVNUPPPGJNERAE-YSNMCSLZSA-N 1 1 290.451 3.115 20 30 CGEDMO C=CC[N@H+](CC)CC1CCN(C(=O)C2CCCCC2)CC1 ZINC001328567200 935147857 /nfs/dbraw/zinc/14/78/57/935147857.db2.gz GHHSBVJSJGBRPB-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)CCC1CC1 ZINC001328719228 935163403 /nfs/dbraw/zinc/16/34/03/935163403.db2.gz OJNCNWXWFZCHBL-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@]1(C)C=CCC1 ZINC001328752656 935166129 /nfs/dbraw/zinc/16/61/29/935166129.db2.gz KRCXKEACQYGEDG-HOCLYGCPSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@]1(C)C=CCC1 ZINC001328752656 935166132 /nfs/dbraw/zinc/16/61/32/935166132.db2.gz KRCXKEACQYGEDG-HOCLYGCPSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1CCC ZINC001328764312 935167432 /nfs/dbraw/zinc/16/74/32/935167432.db2.gz KKXWIAWECOLCSY-RBSFLKMASA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1CCC ZINC001328764312 935167434 /nfs/dbraw/zinc/16/74/34/935167434.db2.gz KKXWIAWECOLCSY-RBSFLKMASA-N 1 1 298.858 3.098 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C1CCC=CCC1 ZINC001328798707 935170047 /nfs/dbraw/zinc/17/00/47/935170047.db2.gz SGZOOGXEDOFEIU-KRWDZBQOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CCC(F)(F)F ZINC001329408218 935212866 /nfs/dbraw/zinc/21/28/66/935212866.db2.gz HRPLPRDEPGAMSK-NEPJUHHUSA-N 1 1 294.361 3.120 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)c1ccc(C)cc1C ZINC001329609329 935232888 /nfs/dbraw/zinc/23/28/88/935232888.db2.gz OPZUHMZFMLWKDZ-INIZCTEOSA-N 1 1 288.435 3.320 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)CNC(=O)CC1CCC(C)(C)CC1 ZINC001329627776 935235758 /nfs/dbraw/zinc/23/57/58/935235758.db2.gz JJQJXDQOSSGJGO-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)CCC ZINC001329908078 935253659 /nfs/dbraw/zinc/25/36/59/935253659.db2.gz JPYGEXNJCQUWDM-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@H+]1CCCCC[C@H]1CNC(=O)C[C@@H]1C=CCCC1 ZINC001329924573 935254615 /nfs/dbraw/zinc/25/46/15/935254615.db2.gz XHRUUOVUHDMKFR-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCO[C@H]1CCN(c2cc[nH+]c3ccsc32)C1 ZINC001329988383 935259595 /nfs/dbraw/zinc/25/95/95/935259595.db2.gz PTINCXHMAAHWIW-NSHDSACASA-N 1 1 260.362 3.078 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H](NC(=O)C2CC2)C(C)(C)C1 ZINC001330169748 935273681 /nfs/dbraw/zinc/27/36/81/935273681.db2.gz DBCHSXQMAIIKGZ-HNNXBMFYSA-N 1 1 280.456 3.193 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H]1C[N@@H+](CCC(C)C)CC1(C)C ZINC001330229470 935279089 /nfs/dbraw/zinc/27/90/89/935279089.db2.gz GBMHJJNPFBVKEJ-CVEARBPZSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)C2(CC)CCCCC2)C(C)(C)C1 ZINC001330263238 935281506 /nfs/dbraw/zinc/28/15/06/935281506.db2.gz QZZOEJYUKNIKJD-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)/C(C)=C\C)C[C@H]2C1 ZINC001330459153 935290172 /nfs/dbraw/zinc/29/01/72/935290172.db2.gz ZZACDBXASVIFJY-LHLILGRISA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C1CCN(C(=O)/C(C)=C\C)CC1 ZINC001331011535 935341410 /nfs/dbraw/zinc/34/14/10/935341410.db2.gz QTPZULOXVKFVIV-XIEDVDOYSA-N 1 1 278.440 3.230 20 30 CGEDMO C=C(C)CC[N@H+](C)C1CCN(C(=O)[C@@H]2CC[C@H](F)C2)CC1 ZINC001331038719 935344547 /nfs/dbraw/zinc/34/45/47/935344547.db2.gz IKIURAHZTTYOGG-CABCVRRESA-N 1 1 296.430 3.014 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CCCCCC(C)C)[C@H]1C ZINC001332205993 935449163 /nfs/dbraw/zinc/44/91/63/935449163.db2.gz MLAVHMXGARAANP-IAGOWNOFSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C(=O)CC(F)(F)F)C(C)C ZINC001332692969 935482347 /nfs/dbraw/zinc/48/23/47/935482347.db2.gz HQHJFJNLRVDHAT-UHFFFAOYSA-N 1 1 294.361 3.074 20 30 CGEDMO CC[C@]1(CO)CCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001332937676 935499038 /nfs/dbraw/zinc/49/90/38/935499038.db2.gz KWSBWKSURCTPIN-INIZCTEOSA-N 1 1 292.810 3.196 20 30 CGEDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1CCCCC1(C#N)CCC1 ZINC001333446933 935535402 /nfs/dbraw/zinc/53/54/02/935535402.db2.gz UDOFQNLAPIWCRE-OWCLPIDISA-N 1 1 278.440 3.332 20 30 CGEDMO C[C@@]1(C#N)CCC[N@H+](C[C@H]2CCCC3(CCC3)O2)C1 ZINC001335760488 936159288 /nfs/dbraw/zinc/15/92/88/936159288.db2.gz ROLHLQPDKQYAJN-CABCVRRESA-N 1 1 262.397 3.104 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](C[C@H]2CCCC3(CCC3)O2)C1 ZINC001335760488 936159291 /nfs/dbraw/zinc/15/92/91/936159291.db2.gz ROLHLQPDKQYAJN-CABCVRRESA-N 1 1 262.397 3.104 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC[NH2+][C@H](c3ccc(CC)cc3)C2)C1 ZINC001335945412 936168132 /nfs/dbraw/zinc/16/81/32/936168132.db2.gz KSXXATDUQQPKKF-KRWDZBQOSA-N 1 1 298.430 3.078 20 30 CGEDMO C=C(C)CCC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC001337503098 936264944 /nfs/dbraw/zinc/26/49/44/936264944.db2.gz OUYDRSSXFAYWTE-UHFFFAOYSA-N 1 1 288.391 3.116 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc(Cl)c(C)c2)C1 ZINC001337727791 936284194 /nfs/dbraw/zinc/28/41/94/936284194.db2.gz IBWAYQOLSGQXRP-CQSZACIVSA-N 1 1 265.784 3.425 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1Cc2c[nH]nc2C[C@@H](C)C1 ZINC001473797507 937822442 /nfs/dbraw/zinc/82/24/42/937822442.db2.gz QXPAEHKWLLWRRW-CHWSQXEVSA-N 1 1 280.375 3.037 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001473857369 937825197 /nfs/dbraw/zinc/82/51/97/937825197.db2.gz OVWOPOFQDGENPP-CQSZACIVSA-N 1 1 285.347 3.397 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC001473864697 937825406 /nfs/dbraw/zinc/82/54/06/937825406.db2.gz BSSXYPFSHOQIJZ-SMDDNHRTSA-N 1 1 278.783 3.317 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC001473864697 937825407 /nfs/dbraw/zinc/82/54/07/937825407.db2.gz BSSXYPFSHOQIJZ-SMDDNHRTSA-N 1 1 278.783 3.317 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1CCOc1ccccc1Br ZINC001473865777 937826170 /nfs/dbraw/zinc/82/61/70/937826170.db2.gz YGYZYQUTGIUYBD-GFCCVEGCSA-N 1 1 296.208 3.478 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1CCOc1ccccc1Br ZINC001473865777 937826172 /nfs/dbraw/zinc/82/61/72/937826172.db2.gz YGYZYQUTGIUYBD-GFCCVEGCSA-N 1 1 296.208 3.478 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@@H]1c1ccc(C(=O)OC)n1C ZINC001473890481 937827867 /nfs/dbraw/zinc/82/78/67/937827867.db2.gz XGLCUWHBLSLTHU-OAHLLOKOSA-N 1 1 290.407 3.305 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@@H](C3CCCC3)C2)CCC1 ZINC001473888884 937828034 /nfs/dbraw/zinc/82/80/34/937828034.db2.gz XTVIHTQIVAINRL-IAGOWNOFSA-N 1 1 290.451 3.333 20 30 CGEDMO N#Cc1ccnc(C[N@H+]2CC=CC23CCCCC3)c1 ZINC001473898536 937828644 /nfs/dbraw/zinc/82/86/44/937828644.db2.gz BBPYPYNLFKWMGH-UHFFFAOYSA-N 1 1 253.349 3.028 20 30 CGEDMO C=CC[NH+]1CCC(NCc2cc3cc(F)ccc3o2)CC1 ZINC001473981692 937833617 /nfs/dbraw/zinc/83/36/17/937833617.db2.gz NWFJTDCQVXLYDR-UHFFFAOYSA-N 1 1 288.366 3.312 20 30 CGEDMO C#Cc1ccc(CN[C@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC001474031372 937836830 /nfs/dbraw/zinc/83/68/30/937836830.db2.gz KSEQPVKIGXGSBY-IBGZPJMESA-N 1 1 282.431 3.022 20 30 CGEDMO C#Cc1ccc(C[NH2+][C@H]2CCN(CC3CCCC3)C2)cc1 ZINC001474031372 937836832 /nfs/dbraw/zinc/83/68/32/937836832.db2.gz KSEQPVKIGXGSBY-IBGZPJMESA-N 1 1 282.431 3.022 20 30 CGEDMO C=CCOc1ccc(C[NH2+][C@H](C)CC#N)cc1Cl ZINC001474250687 937846299 /nfs/dbraw/zinc/84/62/99/937846299.db2.gz JNQBNYMEVQMPFE-LLVKDONJSA-N 1 1 264.756 3.297 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN1CCC[N@H+](C(C)(C)C)CC1 ZINC001474366221 937854453 /nfs/dbraw/zinc/85/44/53/937854453.db2.gz LYZJITYSNRHDQR-UHFFFAOYSA-N 1 1 299.462 3.481 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(O)c(F)c1 ZINC001474401172 937857686 /nfs/dbraw/zinc/85/76/86/937857686.db2.gz HXIOJULQQGZVBA-UHFFFAOYSA-N 1 1 270.307 3.035 20 30 CGEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CCCc2occc2C1 ZINC001474563162 937867284 /nfs/dbraw/zinc/86/72/84/937867284.db2.gz GKDQBRLHSXAHMT-UHFFFAOYSA-N 1 1 295.386 3.166 20 30 CGEDMO C=CC(C)(C)CCC[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC001474696733 937875620 /nfs/dbraw/zinc/87/56/20/937875620.db2.gz OCCHVYFHZRDSRD-GFCCVEGCSA-N 1 1 255.402 3.299 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)C(C)C ZINC001474734091 937877344 /nfs/dbraw/zinc/87/73/44/937877344.db2.gz GGISLTUKVPOLEW-UHFFFAOYSA-N 1 1 254.377 3.331 20 30 CGEDMO C=C[C@H](CC)CC(=O)N(C)C[C@H]1CC[N@H+]1CCC(=C)C ZINC001479235445 937917893 /nfs/dbraw/zinc/91/78/93/937917893.db2.gz IURKZSSJTFUVOO-HZPDHXFCSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C1(C)CC=CC1 ZINC001479241950 937918128 /nfs/dbraw/zinc/91/81/28/937918128.db2.gz GZFKCOJBKUTADZ-CVEARBPZSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N(C)C[C@H]1CC[N@@H+]1CCCCC ZINC001479245284 937918455 /nfs/dbraw/zinc/91/84/55/937918455.db2.gz ZYTFMXJTWMVPHO-WBVHZDCISA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)c1ccc(F)s1 ZINC001479816386 937926411 /nfs/dbraw/zinc/92/64/11/937926411.db2.gz IYBSFDYAKWYFRF-LBPRGKRZSA-N 1 1 298.427 3.294 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCCNC(=O)c1ccc(F)s1 ZINC001479862520 937927314 /nfs/dbraw/zinc/92/73/14/937927314.db2.gz PKXQKWIVSSGYCG-UHFFFAOYSA-N 1 1 298.427 3.295 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)c1ccc(C)c(C)c1 ZINC001479859708 937927451 /nfs/dbraw/zinc/92/74/51/937927451.db2.gz RSRKZOUGSUAFHI-UHFFFAOYSA-N 1 1 288.435 3.321 20 30 CGEDMO C=CC[N@@H+](CC)CCCNC(=O)c1cc(F)cc(Cl)c1 ZINC001479854137 937927517 /nfs/dbraw/zinc/92/75/17/937927517.db2.gz AIABGGUEUIVGGA-UHFFFAOYSA-N 1 1 298.789 3.107 20 30 CGEDMO C=C(Cl)C[N@H+](CCCNC(=O)C1CCCCC1)C1CC1 ZINC001479863603 937927922 /nfs/dbraw/zinc/92/79/22/937927922.db2.gz WEDWLWHTMPDEKP-UHFFFAOYSA-N 1 1 298.858 3.290 20 30 CGEDMO C=C(Cl)C[N@@H+](CCCNC(=O)C1CCCCC1)C1CC1 ZINC001479863603 937927923 /nfs/dbraw/zinc/92/79/23/937927923.db2.gz WEDWLWHTMPDEKP-UHFFFAOYSA-N 1 1 298.858 3.290 20 30 CGEDMO C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)CCC)C1 ZINC001480086682 937932211 /nfs/dbraw/zinc/93/22/11/937932211.db2.gz ZSNRVEUBADHQND-INIZCTEOSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]2C[N@H+](CC(=C)Cl)CC[C@@H]21 ZINC001480184220 937933892 /nfs/dbraw/zinc/93/38/92/937933892.db2.gz LLJIXSOTGSKLHK-GJZGRUSLSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]2C[N@@H+](CC(=C)Cl)CC[C@@H]21 ZINC001480184220 937933894 /nfs/dbraw/zinc/93/38/94/937933894.db2.gz LLJIXSOTGSKLHK-GJZGRUSLSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)CCCC2CC2)C1 ZINC001480259695 937935025 /nfs/dbraw/zinc/93/50/25/937935025.db2.gz KRKIVKYFZIJKQH-QGZVFWFLSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H]2CCCC[N@@H+]2CC[C@@H](C)F)C1 ZINC001480326750 937936050 /nfs/dbraw/zinc/93/60/50/937936050.db2.gz YRLFHYUFVQHGGA-CABCVRRESA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)C=C ZINC001480322426 937936195 /nfs/dbraw/zinc/93/61/95/937936195.db2.gz HAFUOHDIBHFFTC-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)C1(C2CC2)CC1 ZINC001480319809 937936278 /nfs/dbraw/zinc/93/62/78/937936278.db2.gz NBKQASQKJHPBGD-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C#CCCCCC(=O)NC[C@@H]1CCCC[N@@H+]1CCC(=C)C ZINC001480316635 937936287 /nfs/dbraw/zinc/93/62/87/937936287.db2.gz QWIFJMDRPQFGJM-KRWDZBQOSA-N 1 1 290.451 3.117 20 30 CGEDMO C=C(C)CCC(=O)N[C@H](C)[C@H]1CCC[N@@H+](CC(=C)Cl)C1 ZINC001480379839 937937605 /nfs/dbraw/zinc/93/76/05/937937605.db2.gz MSRPVOXRIVFVEX-CABCVRRESA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)C(=C)C)C1 ZINC001480383485 937937754 /nfs/dbraw/zinc/93/77/54/937937754.db2.gz QIEJFAOFDHFQBW-CVEARBPZSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2(CC)CCCC2)C1 ZINC001480385704 937938192 /nfs/dbraw/zinc/93/81/92/937938192.db2.gz GKVDSVOFMQAUCM-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCC2)C1 ZINC001480735136 937943069 /nfs/dbraw/zinc/94/30/69/937943069.db2.gz CNVGFBSNORFGQP-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+](CC)CCNC(=O)c1ccc(-c2ccccc2)o1 ZINC001493019937 937946180 /nfs/dbraw/zinc/94/61/80/937946180.db2.gz PTORPVFNDQIVSS-UHFFFAOYSA-N 1 1 298.386 3.184 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@]1(C)CC=CCC1 ZINC001493109114 937947487 /nfs/dbraw/zinc/94/74/87/937947487.db2.gz SKZXMCNMWFFBLX-SJLPKXTDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)C1(C)CCCCCC1 ZINC001493110776 937947563 /nfs/dbraw/zinc/94/75/63/937947563.db2.gz LSESBBJXHLAMRD-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](CNC(=O)CC(C)(C)C=C)C1 ZINC001493206996 937948435 /nfs/dbraw/zinc/94/84/35/937948435.db2.gz NKXJPWLTCKSLRD-HZPDHXFCSA-N 1 1 292.467 3.382 20 30 CGEDMO C#CC[N@@H+](CCC)CCNC(=O)C[C@@H]1CCCCC1(C)C ZINC001493337616 937949465 /nfs/dbraw/zinc/94/94/65/937949465.db2.gz ULCJYVCULFAEOK-INIZCTEOSA-N 1 1 292.467 3.054 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ccccc2)C1 ZINC001493938862 937952105 /nfs/dbraw/zinc/95/21/05/937952105.db2.gz MRURFHWJKPOXOC-QGZVFWFLSA-N 1 1 286.419 3.189 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2cc(C)co2)C1 ZINC001493960460 937952540 /nfs/dbraw/zinc/95/25/40/937952540.db2.gz KRRBEFHLURTXBJ-HNNXBMFYSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)C=C2CCCCC2)C1 ZINC001493995138 937952685 /nfs/dbraw/zinc/95/26/85/937952685.db2.gz MYZWYCLMFJEAKC-QGZVFWFLSA-N 1 1 290.451 3.281 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)[C@H](C)C2CCC2)C1 ZINC001494027269 937952961 /nfs/dbraw/zinc/95/29/61/937952961.db2.gz DHVSCRJOBKMMPW-CVEARBPZSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)C2CCCC2)C1 ZINC001494146926 937953723 /nfs/dbraw/zinc/95/37/23/937953723.db2.gz YAZPVLIXHXPLJQ-HNNXBMFYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H](CC)CCC)C1 ZINC001494327156 937954151 /nfs/dbraw/zinc/95/41/51/937954151.db2.gz WMNKUSWSGIWSTO-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO C#Cc1ccc(C(=O)NC2C[NH+](CCCCCCC)C2)cc1 ZINC001494433293 937954522 /nfs/dbraw/zinc/95/45/22/937954522.db2.gz VAMCFFTWNTUQCQ-UHFFFAOYSA-N 1 1 298.430 3.052 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](C=C)c2ccccc2)C1 ZINC001494870004 937956993 /nfs/dbraw/zinc/95/69/93/937956993.db2.gz XTAYXCPJMOCTQM-AEFFLSMTSA-N 1 1 298.430 3.065 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)CCCC2CC2)C1 ZINC001494911199 937957216 /nfs/dbraw/zinc/95/72/16/937957216.db2.gz RXXGLUWXBLIWMY-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)C[C@@H](C)CCCCC)C1 ZINC001494912111 937957377 /nfs/dbraw/zinc/95/73/77/937957377.db2.gz DOXUHZNNWCATBR-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](N(CC)C(=O)C[C@@H](C)CCCCC)C1 ZINC001494912114 937957401 /nfs/dbraw/zinc/95/74/01/937957401.db2.gz DOXUHZNNWCATBR-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)C[N@H+](C)CCC1CCN(C(=O)/C(C)=C/C)CC1 ZINC001496498744 937962762 /nfs/dbraw/zinc/96/27/62/937962762.db2.gz QFIHTSCATJZWPB-GIDUJCDVSA-N 1 1 278.440 3.089 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)C[C@@H](CC)C(C)(C)C ZINC001496819079 937964189 /nfs/dbraw/zinc/96/41/89/937964189.db2.gz PXBUYOJIZCKREZ-OAHLLOKOSA-N 1 1 282.472 3.415 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(CCC)CCC3)CC[C@H]21 ZINC001496864035 937964447 /nfs/dbraw/zinc/96/44/47/937964447.db2.gz RXCLGBNNOPFCMI-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C3(CC)CC3)CC[C@H]21 ZINC001496863967 937964564 /nfs/dbraw/zinc/96/45/64/937964564.db2.gz RBQPAADWNQKHBD-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCC(=C)C)C1 ZINC001496856198 937964627 /nfs/dbraw/zinc/96/46/27/937964627.db2.gz BCSBILKWCIOQHI-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)c1ccc(F)s1 ZINC001498466677 937969866 /nfs/dbraw/zinc/96/98/66/937969866.db2.gz WDXPSGXFOJWKQF-NWDGAFQWSA-N 1 1 298.427 3.292 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)C(C)=C2CCCC2)C1 ZINC001500203453 937976496 /nfs/dbraw/zinc/97/64/96/937976496.db2.gz DHKRUVLBBWJDFO-GOSISDBHSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)C2(CC)CC2)C1 ZINC001500523287 937977861 /nfs/dbraw/zinc/97/78/61/937977861.db2.gz UPSASEDGFMVFLI-KRWDZBQOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CCC[N@H+](CCF)CC2)CCCC1 ZINC001502150466 937981757 /nfs/dbraw/zinc/98/17/57/937981757.db2.gz XMLRRAZFZOKFKY-OAHLLOKOSA-N 1 1 296.430 3.063 20 30 CGEDMO CC#CC[N@H+](C)CCCN(C)C(=O)C(CC)(CC)CC ZINC001502385826 937982268 /nfs/dbraw/zinc/98/22/68/937982268.db2.gz ZUPZTDUBHUOODU-UHFFFAOYSA-N 1 1 280.456 3.006 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)c2ccoc2C)C[C@H]1C ZINC001502902559 937983569 /nfs/dbraw/zinc/98/35/69/937983569.db2.gz FNIANXZRDOLSGF-HIFRSBDPSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)c1c[nH]c2ccccc12 ZINC001505956732 937988297 /nfs/dbraw/zinc/98/82/97/937988297.db2.gz FWNJWOYAQGLLIA-CQSZACIVSA-N 1 1 299.418 3.184 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)CSCCC ZINC001506558246 937990689 /nfs/dbraw/zinc/99/06/89/937990689.db2.gz HRRNMXDIPZCNKW-OAHLLOKOSA-N 1 1 298.496 3.067 20 30 CGEDMO CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)CCCCCC ZINC001506581532 937990921 /nfs/dbraw/zinc/99/09/21/937990921.db2.gz KKHTVSXXTSKLJT-KRWDZBQOSA-N 1 1 292.467 3.341 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC(C)(C)C=C ZINC001506567893 937991010 /nfs/dbraw/zinc/99/10/10/937991010.db2.gz ZASGAUIKGLTUJV-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)C(C)C ZINC001506577244 937991033 /nfs/dbraw/zinc/99/10/33/937991033.db2.gz YYVGVJNXOPZXOK-JKSUJKDBSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@H+]1C[C@H](NC(=O)c2ccccc2)C(C)(C)C1 ZINC001506722799 937991442 /nfs/dbraw/zinc/99/14/42/937991442.db2.gz STVROYFEOGXXQO-INIZCTEOSA-N 1 1 286.419 3.093 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)C[C@H](C=C)CC)C(C)(C)C1 ZINC001506749912 937991844 /nfs/dbraw/zinc/99/18/44/937991844.db2.gz VJUVIJOIYJUMJT-CVEARBPZSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC(CC)CC)[C@@H]2C1 ZINC001506815187 937991848 /nfs/dbraw/zinc/99/18/48/937991848.db2.gz AHZLOWUVRVWBPM-OSYLJGHBSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H](C)CCCC)C2)C1 ZINC001506862072 937992300 /nfs/dbraw/zinc/99/23/00/937992300.db2.gz IMLBOSGAUVLBPP-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)CCC3CCC3)CCC[C@H]12 ZINC001507340450 937995312 /nfs/dbraw/zinc/99/53/12/937995312.db2.gz KEDJBJUPLKNXLJ-FUHWJXTLSA-N 1 1 290.451 3.256 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccoc2C)[C@@H]1C ZINC001507368583 937995708 /nfs/dbraw/zinc/99/57/08/937995708.db2.gz MTRSQNVCSVFGIA-XJKSGUPXSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C(=O)C1CC=CC1)C(C)C ZINC001507776425 937996851 /nfs/dbraw/zinc/99/68/51/937996851.db2.gz IYWNLWQLJCWIFW-UHFFFAOYSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)[C@H]1CC[C@H](C)C1)C(C)C ZINC001507840554 937997232 /nfs/dbraw/zinc/99/72/32/937997232.db2.gz KIZBEENUMMKSPM-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)C(C)=C2CCCC2)CC1 ZINC001508203852 937998533 /nfs/dbraw/zinc/99/85/33/937998533.db2.gz ZNOHMEQEVSLYLJ-UHFFFAOYSA-N 1 1 288.435 3.201 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)[C@@H](F)C(C)C)CC1 ZINC001508215858 937998746 /nfs/dbraw/zinc/99/87/46/937998746.db2.gz XDZVGCICQHSTKF-ZBFHGGJFSA-N 1 1 296.430 3.084 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)[C@@H](C)[C@@H](C)C(C)(C)C)CC1 ZINC001508225584 937998896 /nfs/dbraw/zinc/99/88/96/937998896.db2.gz TWJVPKYHYUOERW-LSDHHAIUSA-N 1 1 292.467 3.239 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC1=CC[N@@H+](C[C@H](F)CC)CC1 ZINC001508212922 937998899 /nfs/dbraw/zinc/99/88/99/937998899.db2.gz GHXOEGXHVDCEKA-OAHLLOKOSA-N 1 1 296.430 3.085 20 30 CGEDMO CCCCCCCCC(=O)NC[C@H]1CCCC[N@H+]1C ZINC001537276145 938109097 /nfs/dbraw/zinc/10/90/97/938109097.db2.gz BXDSEJJOSWGSDU-OAHLLOKOSA-N 1 1 268.445 3.338 20 30 CGEDMO C#CC[N@H+](CCC(=O)OC(C)(C)C)[C@@H]1CCc2ccccc21 ZINC001559498907 938227502 /nfs/dbraw/zinc/22/75/02/938227502.db2.gz CCQMPDUZVSVNLV-QGZVFWFLSA-N 1 1 299.414 3.341 20 30 CGEDMO C#CC[N@H+](CCC(=O)OC(C)(C)C)[C@H]1CCc2ccccc21 ZINC001559498906 938227511 /nfs/dbraw/zinc/22/75/11/938227511.db2.gz CCQMPDUZVSVNLV-KRWDZBQOSA-N 1 1 299.414 3.341 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CCC[C@H](C(=O)NCCCCCC)C1 ZINC001559509086 938227975 /nfs/dbraw/zinc/22/79/75/938227975.db2.gz PMVVBNIAEIMUEQ-SJORKVTESA-N 1 1 292.467 3.197 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001559519254 938228240 /nfs/dbraw/zinc/22/82/40/938228240.db2.gz XKKGLIGOGXFQQF-GJZGRUSLSA-N 1 1 294.439 3.025 20 30 CGEDMO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1cc(C#N)ccn1 ZINC001559753378 938234717 /nfs/dbraw/zinc/23/47/17/938234717.db2.gz GWIIOYXJZXBRCE-GFCCVEGCSA-N 1 1 283.297 3.116 20 30 CGEDMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1cc(C#N)ccn1 ZINC001559753378 938234718 /nfs/dbraw/zinc/23/47/18/938234718.db2.gz GWIIOYXJZXBRCE-GFCCVEGCSA-N 1 1 283.297 3.116 20 30 CGEDMO CC[C@@H]1C[N@@H+](CC)CCN1Cc1ccc(Cl)cc1C#N ZINC001559835516 938237013 /nfs/dbraw/zinc/23/70/13/938237013.db2.gz MRYIASXSMSFYCF-MRXNPFEDSA-N 1 1 291.826 3.128 20 30 CGEDMO C=CCCCC[N@@H+]1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC001559859000 938237350 /nfs/dbraw/zinc/23/73/50/938237350.db2.gz QQANXIBXCBPWBY-NSHDSACASA-N 1 1 265.319 3.384 20 30 CGEDMO C=CCCCC[N@H+]1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC001559859000 938237351 /nfs/dbraw/zinc/23/73/51/938237351.db2.gz QQANXIBXCBPWBY-NSHDSACASA-N 1 1 265.319 3.384 20 30 CGEDMO CC#CC[NH2+][C@H](C)c1cc(F)c(Br)cc1F ZINC001560008001 938241668 /nfs/dbraw/zinc/24/16/68/938241668.db2.gz AKJQOUDVRHJYNJ-MRVPVSSYSA-N 1 1 288.135 3.401 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](CC(=O)OC(C)(C)C)CC(C)(C)C ZINC001560021093 938241993 /nfs/dbraw/zinc/24/19/93/938241993.db2.gz XPEOGQVCLOACPE-CQSZACIVSA-N 1 1 299.455 3.003 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](CC(=O)OC(C)(C)C)CC(C)(C)C ZINC001560021093 938241994 /nfs/dbraw/zinc/24/19/94/938241994.db2.gz XPEOGQVCLOACPE-CQSZACIVSA-N 1 1 299.455 3.003 20 30 CGEDMO C[C@H]([NH2+]Cc1ncccc1Cl)c1cccc(C#N)c1 ZINC001560135635 938244874 /nfs/dbraw/zinc/24/48/74/938244874.db2.gz WKHZMMHZQVNMIE-NSHDSACASA-N 1 1 271.751 3.457 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1ccc(C(=O)OC)s1 ZINC001560200143 938246711 /nfs/dbraw/zinc/24/67/11/938246711.db2.gz NSIWAUOUPHUWBE-LBPRGKRZSA-N 1 1 279.405 3.465 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1ccc([Si](C)(C)C)cc1 ZINC001560206231 938247037 /nfs/dbraw/zinc/24/70/37/938247037.db2.gz SXKPZISPUOBYTC-HNNXBMFYSA-N 1 1 259.469 3.382 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2cc3cc(Cl)cnc3o2)nc1 ZINC001560493113 938260212 /nfs/dbraw/zinc/26/02/12/938260212.db2.gz QWOLMSZFFWIVAG-UHFFFAOYSA-N 1 1 298.733 3.038 20 30 CGEDMO C#CC[N@H+](C[C@@H](OC)[C@H](C)CC)C1CCCCC1 ZINC001560657522 938268546 /nfs/dbraw/zinc/26/85/46/938268546.db2.gz PXKMBIFUZADCIG-GDBMZVCRSA-N 1 1 251.414 3.315 20 30 CGEDMO CC[N@H+](CCC#N)CCCc1ccc(F)c(F)c1 ZINC001560729211 938272623 /nfs/dbraw/zinc/27/26/23/938272623.db2.gz AQIHYOLYDWLLAK-UHFFFAOYSA-N 1 1 252.308 3.133 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1cc(F)c(F)cc1O ZINC001560795165 938276280 /nfs/dbraw/zinc/27/62/80/938276280.db2.gz NSESDYVMDRYNAH-NSHDSACASA-N 1 1 253.292 3.211 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(F)c(F)cc1O ZINC001560795165 938276282 /nfs/dbraw/zinc/27/62/82/938276282.db2.gz NSESDYVMDRYNAH-NSHDSACASA-N 1 1 253.292 3.211 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1nc(-c2cccs2)oc1C)C(C)C ZINC001560817720 938277461 /nfs/dbraw/zinc/27/74/61/938277461.db2.gz AXIQODIECSVKFE-GFCCVEGCSA-N 1 1 274.389 3.459 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2ccc(N(C)CC)nc2)C1 ZINC001560923263 938284115 /nfs/dbraw/zinc/28/41/15/938284115.db2.gz WFYJJWPPNIQZJF-HNNXBMFYSA-N 1 1 273.424 3.326 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+]([C@H](C)c2ncc(C(=O)OC)s2)C1 ZINC001560924147 938284507 /nfs/dbraw/zinc/28/45/07/938284507.db2.gz ZYYNTVPMMSRQFF-NEPJUHHUSA-N 1 1 294.420 3.279 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@H](C)c2ncc(C(=O)OC)s2)C1 ZINC001560924147 938284508 /nfs/dbraw/zinc/28/45/08/938284508.db2.gz ZYYNTVPMMSRQFF-NEPJUHHUSA-N 1 1 294.420 3.279 20 30 CGEDMO C=C(C)C[C@H]([NH2+]C[C@@H](C)C1CCCCC1)C(=O)OC ZINC001560968358 938287111 /nfs/dbraw/zinc/28/71/11/938287111.db2.gz JHPWWGZYHCWAIV-HIFRSBDPSA-N 1 1 267.413 3.300 20 30 CGEDMO CC(C)C#CC(=O)N[C@@]1(C)CC[N@@H+](CCCC(C)(C)C)C1 ZINC001324616833 957859660 /nfs/dbraw/zinc/85/96/60/957859660.db2.gz XVVLJIYKAZKJHY-SFHVURJKSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@H+](Cc1c(C)nn(C)c1C)C1CCCCC1 ZINC001203066219 958826097 /nfs/dbraw/zinc/82/60/97/958826097.db2.gz XHIBWYUQFBBIMB-UHFFFAOYSA-N 1 1 261.413 3.358 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)c1c(C)coc1C ZINC001566450579 960561246 /nfs/dbraw/zinc/56/12/46/960561246.db2.gz AVDUVTXXDHUVRZ-CQSZACIVSA-N 1 1 292.423 3.303 20 30 CGEDMO C=C(C)CC[N@@H+](CCCNC(=O)c1ccc(C)o1)C1CC1 ZINC001566581144 960563721 /nfs/dbraw/zinc/56/37/21/960563721.db2.gz WAOQXEQLCMVBPX-UHFFFAOYSA-N 1 1 290.407 3.139 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C)CCC)C1 ZINC001566734810 960571924 /nfs/dbraw/zinc/57/19/24/960571924.db2.gz ALTCACXZIJOIHD-JKSUJKDBSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N(C)[C@H]1CC[N@H+](CCCCC)C1 ZINC001567920240 960601974 /nfs/dbraw/zinc/60/19/74/960601974.db2.gz ABBKEMHNGAPEIX-DOTOQJQBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC(C)(C)C(=O)N(C)C[C@H]1CC[N@@H+]1CC/C=C/CC ZINC001565822565 960825731 /nfs/dbraw/zinc/82/57/31/960825731.db2.gz IMDPDWQNRNMKPG-XVJNWHFHSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CCC1CC1 ZINC001566119091 960888796 /nfs/dbraw/zinc/88/87/96/960888796.db2.gz ADYJKEFLMWSDDL-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCCF ZINC001566124197 960890653 /nfs/dbraw/zinc/89/06/53/960890653.db2.gz KQBLALPITBOVAT-HOTGVXAUSA-N 1 1 298.446 3.404 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCNC(=O)[C@@H]1CCCC[C@@H]1C ZINC001566487327 960944435 /nfs/dbraw/zinc/94/44/35/960944435.db2.gz XSYAFVPCIIZYOL-GXTWGEPZSA-N 1 1 286.847 3.003 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCNC(=O)[C@@H]1CCCC[C@@H]1C ZINC001566487327 960944449 /nfs/dbraw/zinc/94/44/49/960944449.db2.gz XSYAFVPCIIZYOL-GXTWGEPZSA-N 1 1 286.847 3.003 20 30 CGEDMO C=CC[N@@H+](CCCNC(=O)C12CCC(CC1)CC2)C1CC1 ZINC001566603745 960966451 /nfs/dbraw/zinc/96/64/51/960966451.db2.gz BWEATKNNWCSRNC-UHFFFAOYSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)C=C2CCC2)C1 ZINC001566619286 960972374 /nfs/dbraw/zinc/97/23/74/960972374.db2.gz FIPLRGDXCCXHKM-HOCLYGCPSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@@H+](C[C@@H](F)CC)C2)CCCC1 ZINC001566684870 960990100 /nfs/dbraw/zinc/99/01/00/960990100.db2.gz YBILHUIGYODFPO-GJZGRUSLSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@H+](C[C@@H](F)CC)C2)CCCC1 ZINC001566684870 960990108 /nfs/dbraw/zinc/99/01/08/960990108.db2.gz YBILHUIGYODFPO-GJZGRUSLSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H](C[N@H+](C)CC(C)C)C1 ZINC001566741718 960996050 /nfs/dbraw/zinc/99/60/50/960996050.db2.gz IENQSDZYPDXRRN-HNNXBMFYSA-N 1 1 280.456 3.025 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC2(C)C)C1 ZINC001566742615 961006948 /nfs/dbraw/zinc/00/69/48/961006948.db2.gz ZKGIESGDDFHVJM-JKSUJKDBSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)/C=C\C(C)(C)C ZINC001566918384 961057472 /nfs/dbraw/zinc/05/74/72/961057472.db2.gz PYAUFSQNXUPVGZ-KVPUOBJLSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H](C)CC ZINC001566921439 961058063 /nfs/dbraw/zinc/05/80/63/961058063.db2.gz MTZXLXLBGVJVRT-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001566956424 961067560 /nfs/dbraw/zinc/06/75/60/961067560.db2.gz AHGOOTUHIITPHV-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001566959266 961078025 /nfs/dbraw/zinc/07/80/25/961078025.db2.gz AGLVHZAYSBUBQR-NVXWUHKLSA-N 1 1 292.467 3.380 20 30 CGEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001567201828 961137298 /nfs/dbraw/zinc/13/72/98/961137298.db2.gz JAUBXNXHRZNILE-HOTGVXAUSA-N 1 1 292.467 3.005 20 30 CGEDMO CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)CCCCC(C)C)C1 ZINC001567200538 961141561 /nfs/dbraw/zinc/14/15/61/961141561.db2.gz ZLSWNAGCUASVQH-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001567283496 961263134 /nfs/dbraw/zinc/26/31/34/961263134.db2.gz FKDDNASIJINBCL-INIZCTEOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)CC1CCCCC1 ZINC001567271482 961264878 /nfs/dbraw/zinc/26/48/78/961264878.db2.gz AIPDJDBPAABTKS-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)CCC(C)(C)C ZINC001567383503 961311279 /nfs/dbraw/zinc/31/12/79/961311279.db2.gz SXEJXYMTSIDQET-JKSUJKDBSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001567408479 961320420 /nfs/dbraw/zinc/32/04/20/961320420.db2.gz ZTVZOWBURGAUAE-MRXNPFEDSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](CNC(=O)/C=C\C(C)(C)C)C1 ZINC001567395413 961325038 /nfs/dbraw/zinc/32/50/38/961325038.db2.gz JEIIJNHWDQAXMS-ZEIXHXPOSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](CNC(=O)c2cscc2C)C1 ZINC001567397418 961327533 /nfs/dbraw/zinc/32/75/33/961327533.db2.gz VOFSYBWIHBSDMA-AWEZNQCLSA-N 1 1 292.448 3.074 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)c1cc(C)cs1 ZINC001567423873 961339128 /nfs/dbraw/zinc/33/91/28/961339128.db2.gz CLPUFTJXSWBMBK-UHFFFAOYSA-N 1 1 280.437 3.074 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)c1ccc(CC)cc1 ZINC001567433341 961342821 /nfs/dbraw/zinc/34/28/21/961342821.db2.gz YARUCSLDVZTBBK-UHFFFAOYSA-N 1 1 288.435 3.267 20 30 CGEDMO C=C(C)C[N@H+](CCNC(=O)[C@@H](C)c1ccsc1)C1CC1 ZINC001567449449 961354324 /nfs/dbraw/zinc/35/43/24/961354324.db2.gz YIFYHZQKNGSADY-ZDUSSCGKSA-N 1 1 292.448 3.008 20 30 CGEDMO C#CCCCC(=O)N(CCC)[C@H]1CC[N@@H+](C[C@@H](C)CC)C1 ZINC001567682778 961389811 /nfs/dbraw/zinc/38/98/11/961389811.db2.gz PDAYCVMQPABUBZ-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)CC(C)(C)C)C1 ZINC001567680075 961391482 /nfs/dbraw/zinc/39/14/82/961391482.db2.gz YQYUSLOSEWRALT-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC=CCC2)C1 ZINC001567691073 961404438 /nfs/dbraw/zinc/40/44/38/961404438.db2.gz JHHMTJLQXRWGLZ-IAGOWNOFSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)/C=C(\C)C2CC2)C1 ZINC001567723952 961412206 /nfs/dbraw/zinc/41/22/06/961412206.db2.gz PPWKBBUMWQQPGR-SFKKXYGYSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@H](C[N@H+](C)CC(C)C)C1 ZINC001567738904 961416910 /nfs/dbraw/zinc/41/69/10/961416910.db2.gz UIWPTOIKDRPZSQ-OAHLLOKOSA-N 1 1 280.456 3.025 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)C/C=C(/C)C=C)C1 ZINC001567764972 961424174 /nfs/dbraw/zinc/42/41/74/961424174.db2.gz BGRYWGNLRQSRAL-CZAONCGOSA-N 1 1 290.451 3.444 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C)c1C ZINC001567863741 961441879 /nfs/dbraw/zinc/44/18/79/961441879.db2.gz MGFVOSHRYSULHC-IRXDYDNUSA-N 1 1 298.430 3.168 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@](C)(CC)CCC)C1 ZINC001567898174 961455747 /nfs/dbraw/zinc/45/57/47/961455747.db2.gz MODSLUADYFCJCS-WBVHZDCISA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)C2(C3CC3)CC2)C1 ZINC001567914792 961462057 /nfs/dbraw/zinc/46/20/57/961462057.db2.gz XLLWEVBWMCQALI-ZBFHGGJFSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC2(C1)CCN(C(=O)CC)CC2 ZINC001568153561 961505219 /nfs/dbraw/zinc/50/52/19/961505219.db2.gz BAOFDDKUMXUBHM-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC2(CC2)C1 ZINC001569118951 961696993 /nfs/dbraw/zinc/69/69/93/961696993.db2.gz YBPAXQZFGGOTPK-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)c1ccc(Cl)cc1C ZINC001569136613 961700166 /nfs/dbraw/zinc/70/01/66/961700166.db2.gz VWVAJYSRFMEGKV-ZDUSSCGKSA-N 1 1 294.826 3.275 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(C(F)F)cc1 ZINC001569143503 961708460 /nfs/dbraw/zinc/70/84/60/961708460.db2.gz FVODIPQZIIKGFG-GFCCVEGCSA-N 1 1 296.361 3.250 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)CCC1CCC1 ZINC001569351973 961739748 /nfs/dbraw/zinc/73/97/48/961739748.db2.gz BUWZDTXFJXMZDN-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO CC#CC[N@@H+](CCNC(=O)C=C(C)C)C1CCCCCC1 ZINC001569448180 961767539 /nfs/dbraw/zinc/76/75/39/961767539.db2.gz JYAFNECLAIMVOX-UHFFFAOYSA-N 1 1 290.451 3.117 20 30 CGEDMO C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)CC(C)(C)C=C)C2)C1 ZINC001569465992 961781577 /nfs/dbraw/zinc/78/15/77/961781577.db2.gz SJTHYTBKKXUQCS-SFHVURJKSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)CCCCCC)C1 ZINC001569653019 961812635 /nfs/dbraw/zinc/81/26/35/961812635.db2.gz DGCNBWBTMSVAIM-MRXNPFEDSA-N 1 1 266.429 3.114 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)C[C@H]2C=CCCC2)C1 ZINC001569641675 961813677 /nfs/dbraw/zinc/81/36/77/961813677.db2.gz RROUCNLOOYIDLL-GOEBONIOSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)C[C@H]2C=CCCC2)C1 ZINC001569641675 961813689 /nfs/dbraw/zinc/81/36/89/961813689.db2.gz RROUCNLOOYIDLL-GOEBONIOSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](C)C2CC2)C1 ZINC001569712442 961825153 /nfs/dbraw/zinc/82/51/53/961825153.db2.gz VWGLPCOWRMPZBP-CRAIPNDOSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC(CC=C)C(=O)NC[C@]1(C)CCC[N@H+](C(C)C)C1 ZINC001569716200 961830377 /nfs/dbraw/zinc/83/03/77/961830377.db2.gz VKGFANLLKMAVKE-SFHVURJKSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)C2(C)CCCC2)C1 ZINC001569718823 961831919 /nfs/dbraw/zinc/83/19/19/961831919.db2.gz AXHIRQAVRNUYFI-KRWDZBQOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)C[C@H](C)C2CC2)C1 ZINC001569725659 961844151 /nfs/dbraw/zinc/84/41/51/961844151.db2.gz DNYHPWXZVOEVCI-MAUKXSAKSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCCF ZINC001569909242 961877803 /nfs/dbraw/zinc/87/78/03/961877803.db2.gz BLLAQGNFMMZJPV-GJZGRUSLSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[N@H+](C[C@H](F)CC)CC1 ZINC001570181026 961913723 /nfs/dbraw/zinc/91/37/23/961913723.db2.gz BHIGPEPOQVQZNT-HUUCEWRRSA-N 1 1 298.446 3.308 20 30 CGEDMO CCCCC[N@H+]1CCC[C@H](NC(=O)C#CC(C)(C)C)CC1 ZINC001570175433 961914911 /nfs/dbraw/zinc/91/49/11/961914911.db2.gz VDGQRTYYLLXINU-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C[C@H](C)CC)CC1 ZINC001570175585 961915183 /nfs/dbraw/zinc/91/51/83/961915183.db2.gz XMVPTXIISGXYEK-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC2(C)C)CC1 ZINC001570182238 961928776 /nfs/dbraw/zinc/92/87/76/961928776.db2.gz YOECHPDJFKMOLE-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)C=C(C)C)C(C)(C)C1 ZINC001570389166 961957621 /nfs/dbraw/zinc/95/76/21/961957621.db2.gz SXLPVAMEQTUYDT-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CCC2(C)CC2)C(C)(C)C1 ZINC001570397892 961962205 /nfs/dbraw/zinc/96/22/05/961962205.db2.gz QESXSYONGLMPAT-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCCCCCC(=O)N[C@@H]1CC[N@H+](CCCC)[C@H](C)C1 ZINC001570440719 961965350 /nfs/dbraw/zinc/96/53/50/961965350.db2.gz OEWWIRDTLURJHB-IAGOWNOFSA-N 1 1 292.467 3.339 20 30 CGEDMO C#CCCCCCC(=O)N[C@H]1CC[N@H+](CC(C)C)[C@H](C)C1 ZINC001570440637 961971837 /nfs/dbraw/zinc/97/18/37/961971837.db2.gz MYNRHFUZPMSXTH-SJORKVTESA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCC1 ZINC001570539087 961983177 /nfs/dbraw/zinc/98/31/77/961983177.db2.gz XMRJMNHHRSQJDX-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)/C=C(/C)CC ZINC001570530237 961992354 /nfs/dbraw/zinc/99/23/54/961992354.db2.gz HCBLEJFYWCPPGY-RTYFKUQISA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)c1cc2ccc(C)cc2[nH]1 ZINC001570726240 962056290 /nfs/dbraw/zinc/05/62/90/962056290.db2.gz NFYBWZWKLAVGKU-CQSZACIVSA-N 1 1 299.418 3.103 20 30 CGEDMO CC#CCCCC(=O)NC[C@@H](C)[N@@H+](C)CC1=CCCCC1 ZINC001570731006 962066096 /nfs/dbraw/zinc/06/60/96/962066096.db2.gz ZIXUMRLIOOOWTN-MRXNPFEDSA-N 1 1 290.451 3.117 20 30 CGEDMO C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)C[C@H]1C=CCC1 ZINC001570816014 962098543 /nfs/dbraw/zinc/09/85/43/962098543.db2.gz PCOVUGOAJZZACV-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@H](NC(=O)c2ccoc2)C(C)(C)C1 ZINC001570889322 962106684 /nfs/dbraw/zinc/10/66/84/962106684.db2.gz VLSMVKFOLYEWRW-HIFRSBDPSA-N 1 1 290.407 3.075 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1C[N@@H+](CC2CCCC2)CC1(C)C ZINC001570902261 962109156 /nfs/dbraw/zinc/10/91/56/962109156.db2.gz OWMJYVQYBNJNSV-HNNXBMFYSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C=C(C)C)C[C@H]2C1 ZINC001571007267 962110489 /nfs/dbraw/zinc/11/04/89/962110489.db2.gz CQJMAECPJVVGHU-YESZJQIVSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC(=C)C)C[C@@H]2C1 ZINC001571024013 962116014 /nfs/dbraw/zinc/11/60/14/962116014.db2.gz SSOFVMVTRTYMFA-YESZJQIVSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](CCC)C(C)C)C2)C1 ZINC001571043991 962121463 /nfs/dbraw/zinc/12/14/63/962121463.db2.gz QNRQMJCLNLQMFQ-INIZCTEOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+](C)C1CCN(C(=O)CCC2CC2)CC1 ZINC001571330021 962122938 /nfs/dbraw/zinc/12/29/38/962122938.db2.gz XLOYPXWXDCWVJB-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)C2(C3CC3)CC2)CC1 ZINC001571331912 962136942 /nfs/dbraw/zinc/13/69/42/962136942.db2.gz MVNRUPGXUSKONU-UHFFFAOYSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)C1C[C@@H](C)C[C@H](C)C1)C(C)C ZINC001571617051 962197622 /nfs/dbraw/zinc/19/76/22/962197622.db2.gz SSWMMCLFUAHBSZ-HOTGVXAUSA-N 1 1 294.483 3.414 20 30 CGEDMO C[N@H+](CCOCCC#N)Cc1ccc(Cl)cc1Cl ZINC000590153278 346832902 /nfs/dbraw/zinc/83/29/02/346832902.db2.gz TVMDPAZHMSCHSA-UHFFFAOYSA-N 1 1 287.190 3.355 20 30 CGEDMO C[N@@H+](CCOCCC#N)Cc1ccc(Cl)cc1Cl ZINC000590153278 346832904 /nfs/dbraw/zinc/83/29/04/346832904.db2.gz TVMDPAZHMSCHSA-UHFFFAOYSA-N 1 1 287.190 3.355 20 30 CGEDMO C=CC[C@@H]1CC[C@H]([NH2+]C2CC(N3CCCCC3)C2)C1 ZINC000651791286 398288463 /nfs/dbraw/zinc/28/84/63/398288463.db2.gz NIZOUGVTMNKSCU-XNIRIUNOSA-N 1 1 262.441 3.338 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@@H](C(C)(C)C(=O)OC)C1 ZINC000590711513 346866294 /nfs/dbraw/zinc/86/62/94/346866294.db2.gz QVEAZCZAWMUYRA-CQSZACIVSA-N 1 1 267.413 3.254 20 30 CGEDMO CC[C@H](CSC)[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428291915 529409527 /nfs/dbraw/zinc/40/95/27/529409527.db2.gz VPMSECKZABEDPW-GFCCVEGCSA-N 1 1 266.385 3.271 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@H]1C ZINC000590757362 346872323 /nfs/dbraw/zinc/87/23/23/346872323.db2.gz SANUHBRXVOGUDL-RHSMWYFYSA-N 1 1 286.419 3.345 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590972485 346892474 /nfs/dbraw/zinc/89/24/74/346892474.db2.gz ZOYSQMLPNUDEHK-WBVHZDCISA-N 1 1 284.403 3.099 20 30 CGEDMO C[C@H](CCC#N)[N@@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000591031627 346895779 /nfs/dbraw/zinc/89/57/79/346895779.db2.gz RPYRLOHBNWQOOF-ZIAGYGMSSA-N 1 1 275.371 3.028 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000591031627 346895782 /nfs/dbraw/zinc/89/57/82/346895782.db2.gz RPYRLOHBNWQOOF-ZIAGYGMSSA-N 1 1 275.371 3.028 20 30 CGEDMO C[C@H](CCC#N)[N@@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000591031625 346895972 /nfs/dbraw/zinc/89/59/72/346895972.db2.gz RPYRLOHBNWQOOF-KGLIPLIRSA-N 1 1 275.371 3.028 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000591031625 346895974 /nfs/dbraw/zinc/89/59/74/346895974.db2.gz RPYRLOHBNWQOOF-KGLIPLIRSA-N 1 1 275.371 3.028 20 30 CGEDMO C[C@H](CC#N)[NH2+]Cc1cc(Cl)cc(Br)c1 ZINC000591258864 346912119 /nfs/dbraw/zinc/91/21/19/346912119.db2.gz ARGWXKVIKNIMFH-MRVPVSSYSA-N 1 1 287.588 3.494 20 30 CGEDMO COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C#N)cc1 ZINC000083492927 178515998 /nfs/dbraw/zinc/51/59/98/178515998.db2.gz DYDUVUFRDGEODG-CYBMUJFWSA-N 1 1 266.344 3.418 20 30 CGEDMO C=CCCOCC[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000623473861 349815992 /nfs/dbraw/zinc/81/59/92/349815992.db2.gz KRDKHTJDHQIDIA-UHFFFAOYSA-N 1 1 275.726 3.301 20 30 CGEDMO C[C@@H](C[N@@H+](C)Cc1ccncc1C#N)c1ccccc1 ZINC000592067037 346959084 /nfs/dbraw/zinc/95/90/84/346959084.db2.gz NPUUGKAGIRCFCB-AWEZNQCLSA-N 1 1 265.360 3.189 20 30 CGEDMO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1ccncc1C#N ZINC000592069852 346959220 /nfs/dbraw/zinc/95/92/20/346959220.db2.gz WQNRBSCGYDTVID-BBRMVZONSA-N 1 1 295.361 3.470 20 30 CGEDMO N#Cc1cnccc1C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000592072815 346960116 /nfs/dbraw/zinc/96/01/16/346960116.db2.gz YUEXATCHYRFWLN-OAHLLOKOSA-N 1 1 281.334 3.082 20 30 CGEDMO CC(C)(C)C[C@H]1CC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592125816 346964817 /nfs/dbraw/zinc/96/48/17/346964817.db2.gz KQRQXLCDSZDZNK-CYBMUJFWSA-N 1 1 257.381 3.211 20 30 CGEDMO Cc1cc(C[N@@H+]2CC3(C[C@@H]2C)CCOCC3)ccc1C#N ZINC000592183916 346970298 /nfs/dbraw/zinc/97/02/98/346970298.db2.gz KYDTZMDEMBJEQX-HNNXBMFYSA-N 1 1 284.403 3.258 20 30 CGEDMO C[N@H+](CCC(C)(C)C#N)Cc1nc2ccccc2o1 ZINC000345766106 529873840 /nfs/dbraw/zinc/87/38/40/529873840.db2.gz ZBLHJKMSGBARIY-UHFFFAOYSA-N 1 1 257.337 3.199 20 30 CGEDMO C[N@@H+](CCC(C)(C)C#N)Cc1nc2ccccc2o1 ZINC000345766106 529873842 /nfs/dbraw/zinc/87/38/42/529873842.db2.gz ZBLHJKMSGBARIY-UHFFFAOYSA-N 1 1 257.337 3.199 20 30 CGEDMO C[N@H+](CCC#N)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000347480050 529869887 /nfs/dbraw/zinc/86/98/87/529869887.db2.gz SGFVTXXTYGGSTR-HUUCEWRRSA-N 1 1 258.365 3.078 20 30 CGEDMO C[N@@H+](CCC#N)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000347480050 529869888 /nfs/dbraw/zinc/86/98/88/529869888.db2.gz SGFVTXXTYGGSTR-HUUCEWRRSA-N 1 1 258.365 3.078 20 30 CGEDMO Cc1ccc(-c2nn(C)cc2C[N@H+](CCC#N)CC2CC2)o1 ZINC000592499867 346993619 /nfs/dbraw/zinc/99/36/19/346993619.db2.gz ODRYWQPOLFMXMM-UHFFFAOYSA-N 1 1 298.390 3.114 20 30 CGEDMO Cc1ccc(-c2nn(C)cc2C[N@@H+](CCC#N)CC2CC2)o1 ZINC000592499867 346993624 /nfs/dbraw/zinc/99/36/24/346993624.db2.gz ODRYWQPOLFMXMM-UHFFFAOYSA-N 1 1 298.390 3.114 20 30 CGEDMO C[C@H]1C[N@@H+](CC(C)(C)CCC#N)CC2(CCCC2)O1 ZINC000592532444 346997632 /nfs/dbraw/zinc/99/76/32/346997632.db2.gz NXYMWLZFKIOMFE-AWEZNQCLSA-N 1 1 264.413 3.350 20 30 CGEDMO CC[N@H+](Cc1cc2n(n1)CCC2)[C@@H](C)c1ccc(C#N)cc1 ZINC000593000042 347025704 /nfs/dbraw/zinc/02/57/04/347025704.db2.gz YFHTZFMQRYGOOR-AWEZNQCLSA-N 1 1 294.402 3.284 20 30 CGEDMO CC[N@@H+](Cc1cc2n(n1)CCC2)[C@@H](C)c1ccc(C#N)cc1 ZINC000593000042 347025708 /nfs/dbraw/zinc/02/57/08/347025708.db2.gz YFHTZFMQRYGOOR-AWEZNQCLSA-N 1 1 294.402 3.284 20 30 CGEDMO CC[C@@H](OCC[N@H+](C)C[C@H](C)C#N)c1ccccc1 ZINC000593007042 347026585 /nfs/dbraw/zinc/02/65/85/347026585.db2.gz JAUQAQJMMQHOLI-GDBMZVCRSA-N 1 1 260.381 3.246 20 30 CGEDMO CC[C@@H](OCC[N@@H+](C)C[C@H](C)C#N)c1ccccc1 ZINC000593007042 347026588 /nfs/dbraw/zinc/02/65/88/347026588.db2.gz JAUQAQJMMQHOLI-GDBMZVCRSA-N 1 1 260.381 3.246 20 30 CGEDMO C[C@@H]1C[N@H+](CC2(C#N)CC2)CCc2ccc(F)cc21 ZINC000593115614 347041122 /nfs/dbraw/zinc/04/11/22/347041122.db2.gz GTBMKNBSLRYHSK-GFCCVEGCSA-N 1 1 258.340 3.091 20 30 CGEDMO C[C@@H]1C[N@@H+](CC2(C#N)CC2)CCc2ccc(F)cc21 ZINC000593115614 347041127 /nfs/dbraw/zinc/04/11/27/347041127.db2.gz GTBMKNBSLRYHSK-GFCCVEGCSA-N 1 1 258.340 3.091 20 30 CGEDMO COCC[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccco1 ZINC000273210919 192076248 /nfs/dbraw/zinc/07/62/48/192076248.db2.gz BPNIPZAZUIVABL-MRXNPFEDSA-N 1 1 287.334 3.138 20 30 CGEDMO COc1ccc([C@H]2CCC[N@H+]2CCCC#N)c(OC)c1 ZINC000050274304 345079879 /nfs/dbraw/zinc/07/98/79/345079879.db2.gz LBHXDCAFDUMSHO-OAHLLOKOSA-N 1 1 274.364 3.144 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000053096064 345114354 /nfs/dbraw/zinc/11/43/54/345114354.db2.gz KMTOVFZETOKKIL-CQSZACIVSA-N 1 1 292.448 3.310 20 30 CGEDMO COCC[N@@H+](Cc1cccs1)Cc1cccc(C#N)c1 ZINC000053100461 345114463 /nfs/dbraw/zinc/11/44/63/345114463.db2.gz AZSSIXOXVTURRR-UHFFFAOYSA-N 1 1 286.400 3.268 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000054183349 345130327 /nfs/dbraw/zinc/13/03/27/345130327.db2.gz ROMFWPRCRJTYAQ-LBPRGKRZSA-N 1 1 294.782 3.283 20 30 CGEDMO C[C@H](CC#N)[NH2+]Cc1ccc(OCc2cccnc2)cc1 ZINC000067406315 345320599 /nfs/dbraw/zinc/32/05/99/345320599.db2.gz LIFVAIYXAVMEMU-CQSZACIVSA-N 1 1 281.359 3.052 20 30 CGEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ncccc2C#N)C1 ZINC000072945099 345424282 /nfs/dbraw/zinc/42/42/82/345424282.db2.gz SQFAMFIMNXJJHQ-HOTGVXAUSA-N 1 1 298.434 3.044 20 30 CGEDMO CC[C@@H]1C[C@@H](C)C[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000075022027 345490649 /nfs/dbraw/zinc/49/06/49/345490649.db2.gz QJCJYTFAWUMZPF-HZPDHXFCSA-N 1 1 299.418 3.054 20 30 CGEDMO N#CCCCC[N@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000074312337 345465381 /nfs/dbraw/zinc/46/53/81/345465381.db2.gz OWITYLMFVAQIJV-QGZVFWFLSA-N 1 1 272.392 3.052 20 30 CGEDMO CCC(C)(C)[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000074320781 345466021 /nfs/dbraw/zinc/46/60/21/345466021.db2.gz YAAYPCMOIFTRLC-UHFFFAOYSA-N 1 1 293.798 3.271 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC1CCOCC1 ZINC000076152446 345535452 /nfs/dbraw/zinc/53/54/52/345535452.db2.gz IHLJPXFWYZEMEZ-MSOLQXFVSA-N 1 1 284.403 3.185 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CC1CCOCC1 ZINC000076152453 345535806 /nfs/dbraw/zinc/53/58/06/345535806.db2.gz IHLJPXFWYZEMEZ-ZWKOTPCHSA-N 1 1 284.403 3.185 20 30 CGEDMO CCC[C@@H](C)[N@@H+](C)CCOc1ccc(C#N)cc1OC ZINC000077264872 345564474 /nfs/dbraw/zinc/56/44/74/345564474.db2.gz DSHUIXLXTLQWNN-CYBMUJFWSA-N 1 1 276.380 3.066 20 30 CGEDMO Cc1[nH+]ccn1CCCNc1c(Cl)cccc1C#N ZINC000078333413 345600801 /nfs/dbraw/zinc/60/08/01/345600801.db2.gz WBEZPRQBZISHOC-UHFFFAOYSA-N 1 1 274.755 3.219 20 30 CGEDMO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1nccs1 ZINC000080266767 345670055 /nfs/dbraw/zinc/67/00/55/345670055.db2.gz UDXWHTPIVYNGKU-WDEREUQCSA-N 1 1 257.362 3.427 20 30 CGEDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000080656101 345682262 /nfs/dbraw/zinc/68/22/62/345682262.db2.gz JXJUHIWZVRAJKN-IUODEOHRSA-N 1 1 296.374 3.229 20 30 CGEDMO CC[N@@H+](C)CCNc1c(C#N)cnc2c(C)cc(C)cc21 ZINC000091461751 345814733 /nfs/dbraw/zinc/81/47/33/345814733.db2.gz VWHVWNPIQHTMHU-UHFFFAOYSA-N 1 1 282.391 3.087 20 30 CGEDMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000093278718 345873834 /nfs/dbraw/zinc/87/38/34/345873834.db2.gz ZGXMISUHADFSJG-AWEZNQCLSA-N 1 1 294.439 3.228 20 30 CGEDMO C[N@@H+](CC(C)(C)CCC#N)[C@H](CCO)c1ccccc1 ZINC000093442865 345878279 /nfs/dbraw/zinc/87/82/79/345878279.db2.gz ZFMIZVFSVBSKJQ-MRXNPFEDSA-N 1 1 274.408 3.372 20 30 CGEDMO C=CCOc1ccc(CN2CC[C@@H](C[N@H+](C)CC)C2)cc1 ZINC000093769959 345886655 /nfs/dbraw/zinc/88/66/55/345886655.db2.gz HVQBCTWTPXPIRS-KRWDZBQOSA-N 1 1 288.435 3.025 20 30 CGEDMO CC[N@@H+](CCOc1ccc(C#N)cc1)Cc1ccoc1 ZINC000102409220 345915964 /nfs/dbraw/zinc/91/59/64/345915964.db2.gz WNLAERHQKAZDND-UHFFFAOYSA-N 1 1 270.332 3.052 20 30 CGEDMO COc1ccc(CC[N@@H+](CCC#N)CC(C)(C)C)cc1 ZINC000109812267 345943946 /nfs/dbraw/zinc/94/39/46/345943946.db2.gz QLSYDUHIDIEGEP-UHFFFAOYSA-N 1 1 274.408 3.499 20 30 CGEDMO CC(C)(C#N)CC[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000119967979 345995889 /nfs/dbraw/zinc/99/58/89/345995889.db2.gz FKFREBMYFGHDAZ-KRWDZBQOSA-N 1 1 286.419 3.260 20 30 CGEDMO C=CCCCN(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000135654047 346088604 /nfs/dbraw/zinc/08/86/04/346088604.db2.gz BWQLNRATKLHAMK-MRXNPFEDSA-N 1 1 274.408 3.104 20 30 CGEDMO C=C(C)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160453863 346170828 /nfs/dbraw/zinc/17/08/28/346170828.db2.gz XSSPHSNAWDULER-YIONKMFJSA-N 1 1 294.439 3.425 20 30 CGEDMO CC1CCC([N@@H+](C)CC(=O)Nc2sccc2C#N)CC1 ZINC000198202833 346278231 /nfs/dbraw/zinc/27/82/31/346278231.db2.gz SFLLWUTUYHJCAX-UHFFFAOYSA-N 1 1 291.420 3.069 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H](CO)CC1 ZINC000293218888 346431225 /nfs/dbraw/zinc/43/12/25/346431225.db2.gz RPEOFSNUBOTJDQ-HNNXBMFYSA-N 1 1 286.419 3.082 20 30 CGEDMO COc1cc(C[N@H+]2CCC23CCCC3)ccc1C#N ZINC000593647246 347098090 /nfs/dbraw/zinc/09/80/90/347098090.db2.gz YTUHLBAKMFDLTP-UHFFFAOYSA-N 1 1 256.349 3.085 20 30 CGEDMO Cc1nn(-c2cccc(C)c2)cc1C[NH2+]CC(C)(C)C#N ZINC000593615893 347095677 /nfs/dbraw/zinc/09/56/77/347095677.db2.gz UQYWOUJQJNRDIZ-UHFFFAOYSA-N 1 1 282.391 3.129 20 30 CGEDMO C[C@H]1CN(CC2(CC#N)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000324072099 346490793 /nfs/dbraw/zinc/49/07/93/346490793.db2.gz XXXIUDQIXSBZAV-QGZVFWFLSA-N 1 1 297.446 3.134 20 30 CGEDMO C[C@@H]1CN(Cc2ccccc2)CC[N@H+](CC2(CC#N)CC2)C1 ZINC000324072099 346490797 /nfs/dbraw/zinc/49/07/97/346490797.db2.gz XXXIUDQIXSBZAV-QGZVFWFLSA-N 1 1 297.446 3.134 20 30 CGEDMO C[C@@H]1CN(Cc2ccccc2)CC[N@@H+](CC2(CC#N)CC2)C1 ZINC000324072099 346490800 /nfs/dbraw/zinc/49/08/00/346490800.db2.gz XXXIUDQIXSBZAV-QGZVFWFLSA-N 1 1 297.446 3.134 20 30 CGEDMO N#CCC1(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)CC1 ZINC000384315658 346564046 /nfs/dbraw/zinc/56/40/46/346564046.db2.gz UFEGARKYSPZZOG-QGZVFWFLSA-N 1 1 284.403 3.219 20 30 CGEDMO CCOc1ccc(C[NH2+]CC2(C#N)CCCC2)cc1F ZINC000593654526 347101338 /nfs/dbraw/zinc/10/13/38/347101338.db2.gz FPIDRMJBQMYJBB-UHFFFAOYSA-N 1 1 276.355 3.398 20 30 CGEDMO COc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397848497 346585481 /nfs/dbraw/zinc/58/54/81/346585481.db2.gz QYCBWSGLPDQNDF-GFCCVEGCSA-N 1 1 278.783 3.474 20 30 CGEDMO COc1ccc(Cl)cc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000397848497 346585483 /nfs/dbraw/zinc/58/54/83/346585483.db2.gz QYCBWSGLPDQNDF-GFCCVEGCSA-N 1 1 278.783 3.474 20 30 CGEDMO N#CC1(CC[N@H+]2CC[C@]3(C2)CCCOC3)CCCCC1 ZINC000411762044 346607183 /nfs/dbraw/zinc/60/71/83/346607183.db2.gz BARHYRSEAGJADL-KRWDZBQOSA-N 1 1 276.424 3.353 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CCO[C@H](C)C1 ZINC000491147430 346627444 /nfs/dbraw/zinc/62/74/44/346627444.db2.gz RLHIMFNMTQKFHH-GDBMZVCRSA-N 1 1 275.367 3.076 20 30 CGEDMO Cc1cc(C#N)ccc1C[NH2+][C@@H](C)c1c(F)cncc1F ZINC000586786912 346735717 /nfs/dbraw/zinc/73/57/17/346735717.db2.gz VMYWSYAYWXDXQN-NSHDSACASA-N 1 1 287.313 3.391 20 30 CGEDMO Cc1ccc(-c2noc([C@H]([NH3+])CCCCC#N)n2)cc1F ZINC000593942271 347120749 /nfs/dbraw/zinc/12/07/49/347120749.db2.gz FULFUZIINTTYDK-CYBMUJFWSA-N 1 1 288.326 3.268 20 30 CGEDMO Cc1ccccc1Cc1noc([C@H]([NH3+])CCCCC#N)n1 ZINC000593943790 347121056 /nfs/dbraw/zinc/12/10/56/347121056.db2.gz OMJPAFRFOCDZJE-CQSZACIVSA-N 1 1 284.363 3.053 20 30 CGEDMO N#CCCCC[C@H]([NH3+])c1nc(-c2cccc(Cl)c2)no1 ZINC000593944620 347121577 /nfs/dbraw/zinc/12/15/77/347121577.db2.gz YDFSJXDOBGDTSO-LBPRGKRZSA-N 1 1 290.754 3.474 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)cn1)[C@@H]1CCCC[C@@H]1C ZINC000593976458 347128208 /nfs/dbraw/zinc/12/82/08/347128208.db2.gz PKACHXZRILKDAT-XJKSGUPXSA-N 1 1 257.381 3.354 20 30 CGEDMO Cc1c(Br)cccc1C[NH2+][C@@H](C)CC#N ZINC000594535897 347191017 /nfs/dbraw/zinc/19/10/17/347191017.db2.gz HQGKJUGOLRAYLO-VIFPVBQESA-N 1 1 267.170 3.149 20 30 CGEDMO N#Cc1cc(F)ccc1N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594604382 347201137 /nfs/dbraw/zinc/20/11/37/347201137.db2.gz YUPRPVOUQRQHQI-HOTGVXAUSA-N 1 1 273.355 3.126 20 30 CGEDMO C[NH+](C)CC(C)(C)CNCc1ccc(C(C)(C)C#N)cc1 ZINC000594494254 347177393 /nfs/dbraw/zinc/17/73/93/347177393.db2.gz XOPNTYFJFZCOKX-UHFFFAOYSA-N 1 1 287.451 3.165 20 30 CGEDMO CN(C)CC(C)(C)C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594494254 347177398 /nfs/dbraw/zinc/17/73/98/347177398.db2.gz XOPNTYFJFZCOKX-UHFFFAOYSA-N 1 1 287.451 3.165 20 30 CGEDMO N#Cc1ccc(CN[C@H]2CC[N@H+](C3CCCCC3)C2)s1 ZINC000594977968 347247201 /nfs/dbraw/zinc/24/72/01/347247201.db2.gz OMWCIGNRZYUAMP-ZDUSSCGKSA-N 1 1 289.448 3.116 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@H]2CCN(C3CCCCC3)C2)s1 ZINC000594977968 347247202 /nfs/dbraw/zinc/24/72/02/347247202.db2.gz OMWCIGNRZYUAMP-ZDUSSCGKSA-N 1 1 289.448 3.116 20 30 CGEDMO C[N@@H+](CCc1ccc(C#N)cc1)C(C1CC1)C1CC1 ZINC000595297266 347288399 /nfs/dbraw/zinc/28/83/99/347288399.db2.gz DADNPUPXBFZSGG-UHFFFAOYSA-N 1 1 254.377 3.221 20 30 CGEDMO C[N@@H+](CCc1ccc(C#N)cc1)[C@H](CCO)c1ccccc1 ZINC000595325991 347292112 /nfs/dbraw/zinc/29/21/12/347292112.db2.gz LEKUPQOCYNWLBQ-LJQANCHMSA-N 1 1 294.398 3.156 20 30 CGEDMO C[C@H](c1cccnc1)[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595393096 347298418 /nfs/dbraw/zinc/29/84/18/347298418.db2.gz WHFOKUJFLVJZOU-CQSZACIVSA-N 1 1 265.360 3.189 20 30 CGEDMO COCC1([N@@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000595400539 347299505 /nfs/dbraw/zinc/29/95/05/347299505.db2.gz MLBAJXDDUIGBNH-UHFFFAOYSA-N 1 1 298.308 3.188 20 30 CGEDMO C[C@H](N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(C#N)cc1F ZINC000595056874 347272327 /nfs/dbraw/zinc/27/23/27/347272327.db2.gz SAHTXWHVFXQUPA-GXTWGEPZSA-N 1 1 289.398 3.221 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](CCCOCCc2ccccc2)C1 ZINC000595611647 347326228 /nfs/dbraw/zinc/32/62/28/347326228.db2.gz MOMDNEKNLWVYMJ-GOSISDBHSA-N 1 1 286.419 3.261 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595613425 347327218 /nfs/dbraw/zinc/32/72/18/347327218.db2.gz COIFQURFGKVIPW-ZFWWWQNUSA-N 1 1 253.349 3.245 20 30 CGEDMO CCc1ccc(CC[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595614356 347327871 /nfs/dbraw/zinc/32/78/71/347327871.db2.gz KZHDPYNVVBMHFS-QGZVFWFLSA-N 1 1 256.393 3.417 20 30 CGEDMO C[C@]1(C2CC2)C[N@@H+](CCC2(C#N)CCCCC2)CCO1 ZINC000595625340 347329642 /nfs/dbraw/zinc/32/96/42/347329642.db2.gz LWWVKLSPCGXOOZ-MRXNPFEDSA-N 1 1 276.424 3.351 20 30 CGEDMO C=CC[N@H+](Cc1ccc(C#N)cc1Cl)[C@@H](C)COC ZINC000595638877 347331347 /nfs/dbraw/zinc/33/13/47/347331347.db2.gz NHDMXKQZNKRFEJ-LBPRGKRZSA-N 1 1 278.783 3.235 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(C#N)cc1Cl)[C@@H](C)COC ZINC000595638877 347331349 /nfs/dbraw/zinc/33/13/49/347331349.db2.gz NHDMXKQZNKRFEJ-LBPRGKRZSA-N 1 1 278.783 3.235 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000595660033 347334636 /nfs/dbraw/zinc/33/46/36/347334636.db2.gz QMTXKEFZYTZKDC-CYBMUJFWSA-N 1 1 258.340 3.485 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2OC)C1 ZINC000595661617 347335367 /nfs/dbraw/zinc/33/53/67/347335367.db2.gz XTAYSTSVSSAWRZ-AWEZNQCLSA-N 1 1 270.376 3.355 20 30 CGEDMO N#CCCOCC[N@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000595672795 347336400 /nfs/dbraw/zinc/33/64/00/347336400.db2.gz BUJHTBPNJJXNAP-OAHLLOKOSA-N 1 1 274.364 3.127 20 30 CGEDMO N#Cc1ccccc1OCC[N@@H+]1CCC[C@H](CCF)C1 ZINC000595755002 347350172 /nfs/dbraw/zinc/35/01/72/347350172.db2.gz DUFXJBPIKUSTOA-CQSZACIVSA-N 1 1 276.355 3.009 20 30 CGEDMO C[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)C[C@H](C)O1 ZINC000595780770 347355207 /nfs/dbraw/zinc/35/52/07/347355207.db2.gz NNGVPIMOLYRHOQ-KGLIPLIRSA-N 1 1 252.402 3.206 20 30 CGEDMO C=C(C)CN(CC)C(=O)NC[C@H]1CCCC[N@@H+]1CCCC ZINC000595825880 347360936 /nfs/dbraw/zinc/36/09/36/347360936.db2.gz NUCNFXHFXYRCLY-MRXNPFEDSA-N 1 1 295.471 3.249 20 30 CGEDMO CN(c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000595826285 347362067 /nfs/dbraw/zinc/36/20/67/347362067.db2.gz LWSUEULUKWLOCU-OAHLLOKOSA-N 1 1 297.427 3.330 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C#N)ccc1F ZINC000595841148 347365243 /nfs/dbraw/zinc/36/52/43/347365243.db2.gz IPQPIOOTRPCKAY-GASCZTMLSA-N 1 1 256.324 3.380 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000595843204 347366194 /nfs/dbraw/zinc/36/61/94/347366194.db2.gz JHDNLTMSBTYCCX-HOTGVXAUSA-N 1 1 258.340 3.439 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000595843204 347366197 /nfs/dbraw/zinc/36/61/97/347366197.db2.gz JHDNLTMSBTYCCX-HOTGVXAUSA-N 1 1 258.340 3.439 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000595843206 347366614 /nfs/dbraw/zinc/36/66/14/347366614.db2.gz JHDNLTMSBTYCCX-JKSUJKDBSA-N 1 1 258.340 3.439 20 30 CGEDMO C[C@]1(C#N)CC[N@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000595843206 347366616 /nfs/dbraw/zinc/36/66/16/347366616.db2.gz JHDNLTMSBTYCCX-JKSUJKDBSA-N 1 1 258.340 3.439 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1cccc(C#N)c1 ZINC000595846004 347367166 /nfs/dbraw/zinc/36/71/66/347367166.db2.gz YYVXPXRYKNTMDR-IYBDPMFKSA-N 1 1 268.360 3.120 20 30 CGEDMO CC12CC(C1)C[N@@H+]2Cc1cc(C#N)ccc1Br ZINC000595920504 347372878 /nfs/dbraw/zinc/37/28/78/347372878.db2.gz SCFVMRPTQSKSPF-UHFFFAOYSA-N 1 1 291.192 3.305 20 30 CGEDMO CC12CC(C1)C[N@H+]2Cc1cc(C#N)ccc1Br ZINC000595920504 347372879 /nfs/dbraw/zinc/37/28/79/347372879.db2.gz SCFVMRPTQSKSPF-UHFFFAOYSA-N 1 1 291.192 3.305 20 30 CGEDMO CCOc1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)cc1F ZINC000597175701 347544441 /nfs/dbraw/zinc/54/44/41/347544441.db2.gz DDQQVTYFZQAVSV-CYBMUJFWSA-N 1 1 276.355 3.350 20 30 CGEDMO CCOc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cc1F ZINC000597175701 347544443 /nfs/dbraw/zinc/54/44/43/347544443.db2.gz DDQQVTYFZQAVSV-CYBMUJFWSA-N 1 1 276.355 3.350 20 30 CGEDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000597175689 347544652 /nfs/dbraw/zinc/54/46/52/347544652.db2.gz CXJSKGFMGCTLIV-ZDUSSCGKSA-N 1 1 273.336 3.029 20 30 CGEDMO CC[N@H+](Cc1ccc(C2(C#N)CC2)cc1)C[C@H]1CCCO1 ZINC000596999673 347526426 /nfs/dbraw/zinc/52/64/26/347526426.db2.gz HWYXNGXHAWMUHF-QGZVFWFLSA-N 1 1 284.403 3.243 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@@H]4COCC[C@H]43)cc2)CC1 ZINC000597025741 347528919 /nfs/dbraw/zinc/52/89/19/347528919.db2.gz CFYPEBSCFUBUJJ-SJLPKXTDSA-N 1 1 296.414 3.243 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@@H]3[C@@H]3CCCO3)cc2)CC1 ZINC000597121522 347537096 /nfs/dbraw/zinc/53/70/96/347537096.db2.gz OZLILXUESDSGKZ-MSOLQXFVSA-N 1 1 296.414 3.385 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3CC[C@H]3C3CC3)cc2)CC1 ZINC000597137600 347539161 /nfs/dbraw/zinc/53/91/61/347539161.db2.gz UZBDUUJAQKPMCG-INIZCTEOSA-N 1 1 252.361 3.226 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](N(C)Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597150558 347540536 /nfs/dbraw/zinc/54/05/36/347540536.db2.gz ZWUWVXQXRGTISH-GOSISDBHSA-N 1 1 297.446 3.156 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000597173569 347543536 /nfs/dbraw/zinc/54/35/36/347543536.db2.gz KFICZMWECNGUFY-BTKRWWFXSA-N 1 1 285.347 3.234 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000598649796 347675808 /nfs/dbraw/zinc/67/58/08/347675808.db2.gz FHVQSUSTQBNWBA-STQMWFEESA-N 1 1 288.382 3.091 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cc(C(=O)OC)c2n1CCCC2 ZINC000598674424 347677187 /nfs/dbraw/zinc/67/71/87/347677187.db2.gz WTVPBUZEJOSLMQ-UHFFFAOYSA-N 1 1 290.407 3.009 20 30 CGEDMO CC1(c2ccccc2)C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC000598676732 347677694 /nfs/dbraw/zinc/67/76/94/347677694.db2.gz JVPLDXIAFJSVRU-UHFFFAOYSA-N 1 1 280.346 3.471 20 30 CGEDMO C[N@H+]1CC[C@H](Nc2ccc(CC#N)cc2)CC1(C)C ZINC000598956576 347701098 /nfs/dbraw/zinc/70/10/98/347701098.db2.gz HIUTVRBOKPYJOY-HNNXBMFYSA-N 1 1 257.381 3.037 20 30 CGEDMO CC[N@@H+](Cc1c(F)cccc1F)C[C@H](O)CC(C)(C)C#N ZINC000598591327 347667419 /nfs/dbraw/zinc/66/74/19/347667419.db2.gz ZPXDZWYSVVXSPR-GFCCVEGCSA-N 1 1 296.361 3.087 20 30 CGEDMO CC[N@H+](Cc1c(F)cccc1F)C[C@H](O)CC(C)(C)C#N ZINC000598591327 347667421 /nfs/dbraw/zinc/66/74/21/347667421.db2.gz ZPXDZWYSVVXSPR-GFCCVEGCSA-N 1 1 296.361 3.087 20 30 CGEDMO C[C@@H]1CC[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@@H]2CCCC[C@H]12 ZINC000598588326 347667519 /nfs/dbraw/zinc/66/75/19/347667519.db2.gz ITQQOZNEMJJESC-KLHDSHLOSA-N 1 1 278.440 3.188 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000598592281 347667738 /nfs/dbraw/zinc/66/77/38/347667738.db2.gz IQYBBBKFWMLESB-WBVHZDCISA-N 1 1 276.424 3.109 20 30 CGEDMO CC(C)[C@H]1CCC[N@@H+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598594105 347668350 /nfs/dbraw/zinc/66/83/50/347668350.db2.gz XVSXJGHLEOWCFV-LSDHHAIUSA-N 1 1 266.429 3.045 20 30 CGEDMO CC(C)C[C@H]1CCC[N@@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598594097 347668456 /nfs/dbraw/zinc/66/84/56/347668456.db2.gz YXBLCYNOPWAWND-HUUCEWRRSA-N 1 1 266.429 3.045 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000598618363 347671234 /nfs/dbraw/zinc/67/12/34/347671234.db2.gz WTENBPWGWUSXRK-JSGCOSHPSA-N 1 1 292.448 3.432 20 30 CGEDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1ccc(C)c(C#N)c1 ZINC000599310764 347734394 /nfs/dbraw/zinc/73/43/94/347734394.db2.gz BZKAXKAUXMZULW-SFHVURJKSA-N 1 1 294.402 3.246 20 30 CGEDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(C)c(C#N)c2)[C@H](C)C1 ZINC000599332453 347736861 /nfs/dbraw/zinc/73/68/61/347736861.db2.gz TVDSNAFAHBBWPP-CRAIPNDOSA-N 1 1 285.435 3.029 20 30 CGEDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C)c(C#N)c2)[C@H](C)C1 ZINC000599332453 347736863 /nfs/dbraw/zinc/73/68/63/347736863.db2.gz TVDSNAFAHBBWPP-CRAIPNDOSA-N 1 1 285.435 3.029 20 30 CGEDMO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(C)c(C#N)c2)[C@H](C)C1 ZINC000599332453 347736865 /nfs/dbraw/zinc/73/68/65/347736865.db2.gz TVDSNAFAHBBWPP-CRAIPNDOSA-N 1 1 285.435 3.029 20 30 CGEDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C)c(C#N)c2)[C@H](C)C1 ZINC000599332453 347736868 /nfs/dbraw/zinc/73/68/68/347736868.db2.gz TVDSNAFAHBBWPP-CRAIPNDOSA-N 1 1 285.435 3.029 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@H](Cc3ccncc3)C2)cc1C#N ZINC000599357927 347738729 /nfs/dbraw/zinc/73/87/29/347738729.db2.gz YSLYJUCZCFOSIR-GOSISDBHSA-N 1 1 291.398 3.326 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@H](OCC3CC3)C2)cc1C#N ZINC000599380116 347740241 /nfs/dbraw/zinc/74/02/41/347740241.db2.gz BBBBKGAGTIPPFM-SFHVURJKSA-N 1 1 284.403 3.258 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccc(CC#N)cc2)C[C@H](C)C1(F)F ZINC000599515051 347749762 /nfs/dbraw/zinc/74/97/62/347749762.db2.gz PBBJFHIUJKDBBG-BETUJISGSA-N 1 1 278.346 3.476 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2nc([C@H](C)SCC)no2)C1 ZINC000599526844 347750538 /nfs/dbraw/zinc/75/05/38/347750538.db2.gz UYPLYNIWZVTCRU-RYUDHWBXSA-N 1 1 281.425 3.282 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2nc([C@H](C)SCC)no2)C1 ZINC000599526844 347750539 /nfs/dbraw/zinc/75/05/39/347750539.db2.gz UYPLYNIWZVTCRU-RYUDHWBXSA-N 1 1 281.425 3.282 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000599526472 347750644 /nfs/dbraw/zinc/75/06/44/347750644.db2.gz MMPARYYFDQRVLB-GFCCVEGCSA-N 1 1 276.336 3.001 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599586829 347755936 /nfs/dbraw/zinc/75/59/36/347755936.db2.gz JHMZZUSFIKKVMD-UONOGXRCSA-N 1 1 267.413 3.252 20 30 CGEDMO C/C=C\C[C@H]1CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000600212820 347794279 /nfs/dbraw/zinc/79/42/79/347794279.db2.gz ICFGXVXTVGKJJX-GWQWAINWSA-N 1 1 294.402 3.384 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](c3ccc(O)cc3)C2)cc1 ZINC000600214156 347794992 /nfs/dbraw/zinc/79/49/92/347794992.db2.gz LQJMFIDGTPLGLB-KRWDZBQOSA-N 1 1 278.355 3.253 20 30 CGEDMO Cc1cccc(OCC[N@H+](C)C[C@H](C)CCC#N)c1 ZINC000602435656 347956945 /nfs/dbraw/zinc/95/69/45/347956945.db2.gz KAJPDUGUVQTFPZ-OAHLLOKOSA-N 1 1 260.381 3.246 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000602436985 347958434 /nfs/dbraw/zinc/95/84/34/347958434.db2.gz BWUGBYFKBPSDRA-AEFFLSMTSA-N 1 1 285.435 3.133 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cccc(C#N)n2)[C@@H]2CCCC[C@@H]12 ZINC000602444335 347959164 /nfs/dbraw/zinc/95/91/64/347959164.db2.gz GPAIOEFFZWMLBW-XOKHGSTOSA-N 1 1 269.392 3.354 20 30 CGEDMO COc1ccc(CCC[N@@H+](C)C[C@H](C)CCC#N)cc1 ZINC000602451076 347960252 /nfs/dbraw/zinc/96/02/52/347960252.db2.gz ZMLORLSXRREZEX-OAHLLOKOSA-N 1 1 274.408 3.499 20 30 CGEDMO N#Cc1cccc(C[N@@H+](Cc2cccc(O)c2)CC2CC2)n1 ZINC000602452505 347961421 /nfs/dbraw/zinc/96/14/21/347961421.db2.gz DFDDQWAGJKBMQJ-UHFFFAOYSA-N 1 1 293.370 3.071 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](Cc3ccccc3)C2)n1 ZINC000602463483 347962246 /nfs/dbraw/zinc/96/22/46/347962246.db2.gz GQCOXXQQCBKYCW-QGZVFWFLSA-N 1 1 291.398 3.408 20 30 CGEDMO C[C@H](CCC#N)C[NH+]1CCN(C2CCC(C)CC2)CC1 ZINC000602467603 347962877 /nfs/dbraw/zinc/96/28/77/347962877.db2.gz HJSRYKOJRLKJCH-AQFXKWCLSA-N 1 1 277.456 3.123 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@]3(CC=CCC3)C2)n1 ZINC000602472180 347963601 /nfs/dbraw/zinc/96/36/01/347963601.db2.gz OWLHQIHLIHBZLA-KRWDZBQOSA-N 1 1 267.376 3.276 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccc(=O)[nH]c1 ZINC000602480490 347965973 /nfs/dbraw/zinc/96/59/73/347965973.db2.gz CFTGBANDPWMCGI-IAGOWNOFSA-N 1 1 293.370 3.059 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000602484607 347966835 /nfs/dbraw/zinc/96/68/35/347966835.db2.gz NXWALYKRHMHZSR-AEFFLSMTSA-N 1 1 286.419 3.260 20 30 CGEDMO C[C@@H]1C[C@@H](C)CN(C(C)(C)C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602526529 347975532 /nfs/dbraw/zinc/97/55/32/347975532.db2.gz LCFATWZAMCKLHO-NUWOQIAWSA-N 1 1 291.483 3.415 20 30 CGEDMO CSc1ccccc1C[N@H+](C)Cc1cccc(C#N)n1 ZINC000602648194 348000816 /nfs/dbraw/zinc/00/08/16/348000816.db2.gz MXEOPXHANNBPAD-UHFFFAOYSA-N 1 1 283.400 3.307 20 30 CGEDMO CSc1ccccc1C[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602648194 348000818 /nfs/dbraw/zinc/00/08/18/348000818.db2.gz MXEOPXHANNBPAD-UHFFFAOYSA-N 1 1 283.400 3.307 20 30 CGEDMO CC(C)[C@@H]1[C@@H](C(C)C)C[N@H+]1Cc1cccc(C#N)n1 ZINC000602683046 348008136 /nfs/dbraw/zinc/00/81/36/348008136.db2.gz OTCCKCHMFLNFRY-HZPDHXFCSA-N 1 1 257.381 3.066 20 30 CGEDMO COc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)c(Cl)cc1O ZINC000602705204 348013432 /nfs/dbraw/zinc/01/34/32/348013432.db2.gz DNIOGZBHCICVHF-LLVKDONJSA-N 1 1 294.782 3.180 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@H](CC#N)C2)c(Cl)cc1O ZINC000602705204 348013435 /nfs/dbraw/zinc/01/34/35/348013435.db2.gz DNIOGZBHCICVHF-LLVKDONJSA-N 1 1 294.782 3.180 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCCC3(CCCC3)CC2)n1 ZINC000602706841 348014391 /nfs/dbraw/zinc/01/43/91/348014391.db2.gz MUJRCPJRBKQNLV-UHFFFAOYSA-N 1 1 269.392 3.500 20 30 CGEDMO C/C=C\C[C@@H]1CCC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602729005 348019280 /nfs/dbraw/zinc/01/92/80/348019280.db2.gz HAAZGRFDSIWLCL-PYLYLYNFSA-N 1 1 255.365 3.131 20 30 CGEDMO N#CCC1(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000602787668 348029840 /nfs/dbraw/zinc/02/98/40/348029840.db2.gz WAIIDONLIUQGMU-IAGOWNOFSA-N 1 1 279.387 3.452 20 30 CGEDMO N#CCC1(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000602787668 348029843 /nfs/dbraw/zinc/02/98/43/348029843.db2.gz WAIIDONLIUQGMU-IAGOWNOFSA-N 1 1 279.387 3.452 20 30 CGEDMO COCC[N@@H+](CC1(CC#N)CC1)[C@@H](C)c1ccccc1 ZINC000602767043 348025668 /nfs/dbraw/zinc/02/56/68/348025668.db2.gz UZFDVLBOUYZQJB-HNNXBMFYSA-N 1 1 272.392 3.390 20 30 CGEDMO N#CCC1(C[N@@H+]2CC[C@H](c3ccccc3F)C2)CC1 ZINC000602775083 348026236 /nfs/dbraw/zinc/02/62/36/348026236.db2.gz FZFCYMZKFZQKBT-ZDUSSCGKSA-N 1 1 258.340 3.309 20 30 CGEDMO Cc1ccc([C@H](C)[NH2+]Cc2cccc(C#N)n2)cc1[N+](=O)[O-] ZINC000602560899 347981867 /nfs/dbraw/zinc/98/18/67/347981867.db2.gz ALVYHSRZPNVZIB-LBPRGKRZSA-N 1 1 296.330 3.021 20 30 CGEDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)CC1(CC#N)CC1)CCC2 ZINC000602790062 348030700 /nfs/dbraw/zinc/03/07/00/348030700.db2.gz GBVFVXDURLUPMQ-ZDUSSCGKSA-N 1 1 275.421 3.455 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](c3cccnc3)C2)c1F ZINC000602855090 348037234 /nfs/dbraw/zinc/03/72/34/348037234.db2.gz PNHHVBFCKZWOLU-INIZCTEOSA-N 1 1 295.361 3.472 20 30 CGEDMO C[C@H](CC#N)[NH2+]CCOc1c(Cl)cccc1Cl ZINC000602865566 348038306 /nfs/dbraw/zinc/03/83/06/348038306.db2.gz WLDIXWINXPELDS-SECBINFHSA-N 1 1 273.163 3.264 20 30 CGEDMO N#CCC1(C[N@H+]2CC3CC2(c2ccccc2)C3)CC1 ZINC000602901308 348041720 /nfs/dbraw/zinc/04/17/20/348041720.db2.gz HCXBWVKJDAVDIW-UHFFFAOYSA-N 1 1 252.361 3.301 20 30 CGEDMO C[N@H+](Cc1ccc2ncccc2c1)[C@@H]1CCC[C@H]1C#N ZINC000602980751 348051272 /nfs/dbraw/zinc/05/12/72/348051272.db2.gz VGDJSDDWVBDPPK-DOTOQJQBSA-N 1 1 265.360 3.359 20 30 CGEDMO C[N@@H+](Cc1ccc2ncccc2c1)[C@@H]1CCC[C@H]1C#N ZINC000602980751 348051276 /nfs/dbraw/zinc/05/12/76/348051276.db2.gz VGDJSDDWVBDPPK-DOTOQJQBSA-N 1 1 265.360 3.359 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)N1c2ccccc2CC[C@@H]1C ZINC000605740671 348167004 /nfs/dbraw/zinc/16/70/04/348167004.db2.gz IRKNLJAHBLXYKW-HNNXBMFYSA-N 1 1 286.419 3.252 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cc2c(c(Cl)c1)OCO2 ZINC000605738752 348167437 /nfs/dbraw/zinc/16/74/37/348167437.db2.gz GSQHTQYVQRWHCJ-UHFFFAOYSA-N 1 1 267.756 3.467 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)N[C@H](c1ccccc1)C(C)C ZINC000605738796 348167466 /nfs/dbraw/zinc/16/74/66/348167466.db2.gz YMQSRORZNOUJAO-SFHVURJKSA-N 1 1 288.435 3.398 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000605743060 348167639 /nfs/dbraw/zinc/16/76/39/348167639.db2.gz PYNHFEKYIDPUGK-GOSISDBHSA-N 1 1 299.414 3.478 20 30 CGEDMO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1cccc(C#N)c1 ZINC000610344890 348376935 /nfs/dbraw/zinc/37/69/35/348376935.db2.gz KQUGWYXSUXWEAT-SNVBAGLBSA-N 1 1 287.344 3.379 20 30 CGEDMO COC(=O)c1ccc2c(c1)C[N@@H+](CCCC(C)(C)C#N)C2 ZINC000610447972 348383164 /nfs/dbraw/zinc/38/31/64/348383164.db2.gz VIYSGZTWJJIGKB-UHFFFAOYSA-N 1 1 286.375 3.119 20 30 CGEDMO COC(=O)c1ccc2c(c1)C[N@H+](CCCC(C)(C)C#N)C2 ZINC000610447972 348383167 /nfs/dbraw/zinc/38/31/67/348383167.db2.gz VIYSGZTWJJIGKB-UHFFFAOYSA-N 1 1 286.375 3.119 20 30 CGEDMO C=CCCC[N@H+](CCC(=O)OC)Cc1ccccc1 ZINC000609798522 348353412 /nfs/dbraw/zinc/35/34/12/348353412.db2.gz MZTGUPSZKCYLCE-UHFFFAOYSA-N 1 1 261.365 3.018 20 30 CGEDMO N#Cc1cc(CNc2cccc3cc[nH+]cc32)ccn1 ZINC000610956895 348411910 /nfs/dbraw/zinc/41/19/10/348411910.db2.gz WIIRNQYEGIBBBU-UHFFFAOYSA-N 1 1 260.300 3.114 20 30 CGEDMO C[C@H]1Cc2ccccc2C[N@H+]1CCOc1cccc(C#N)c1 ZINC000357772653 233001390 /nfs/dbraw/zinc/00/13/90/233001390.db2.gz CQAULASARHWASG-HNNXBMFYSA-N 1 1 292.382 3.384 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccnc(C#N)c2)[C@@H]2CCCC[C@@H]12 ZINC000610991975 348413825 /nfs/dbraw/zinc/41/38/25/348413825.db2.gz NTUNLGVAYLBGAO-XOKHGSTOSA-N 1 1 269.392 3.354 20 30 CGEDMO CCc1ccc(C[N@@H+](C)Cc2ccnc(C#N)c2)cc1 ZINC000610991837 348414362 /nfs/dbraw/zinc/41/43/62/348414362.db2.gz QNWYZAHWQOYLFY-UHFFFAOYSA-N 1 1 265.360 3.148 20 30 CGEDMO N#Cc1cc(C[N@@H+](CC2CC2)C2CCCCC2)ccn1 ZINC000610992548 348414735 /nfs/dbraw/zinc/41/47/35/348414735.db2.gz PSTNTGRVTQNWKX-UHFFFAOYSA-N 1 1 269.392 3.498 20 30 CGEDMO N#Cc1cc(C[N@@H+](Cc2cccc(F)c2)C2CC2)ccn1 ZINC000610992027 348415515 /nfs/dbraw/zinc/41/55/15/348415515.db2.gz PQVHZCPDNDLUHI-UHFFFAOYSA-N 1 1 281.334 3.257 20 30 CGEDMO N#Cc1cc(C[N@H+](Cc2cccc(F)c2)C2CC2)ccn1 ZINC000610992027 348415518 /nfs/dbraw/zinc/41/55/18/348415518.db2.gz PQVHZCPDNDLUHI-UHFFFAOYSA-N 1 1 281.334 3.257 20 30 CGEDMO CCC[C@H]1[C@H](C)CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610994979 348417106 /nfs/dbraw/zinc/41/71/06/348417106.db2.gz QFLWJMWCWZTDKM-CJNGLKHVSA-N 1 1 257.381 3.354 20 30 CGEDMO Cc1cc(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)ccc1C#N ZINC000351968485 219268709 /nfs/dbraw/zinc/26/87/09/219268709.db2.gz QSGAROBIFXTZQV-SJORKVTESA-N 1 1 284.403 3.256 20 30 CGEDMO C#CCCOc1ccc(C[N@H+](C)Cc2ccccn2)cc1 ZINC000273372124 192129298 /nfs/dbraw/zinc/12/92/98/192129298.db2.gz FXWHFHRICNLSEN-UHFFFAOYSA-N 1 1 280.371 3.116 20 30 CGEDMO COCC[N@@H+](Cc1cc(C#N)cs1)C1CCCC1 ZINC000611257680 348432109 /nfs/dbraw/zinc/43/21/09/348432109.db2.gz IJLJLQHBUYDNBD-UHFFFAOYSA-N 1 1 264.394 3.011 20 30 CGEDMO COc1ccc(C2([NH2+]Cc3ccccc3C#N)CC2)cc1 ZINC000339489240 215204364 /nfs/dbraw/zinc/20/43/64/215204364.db2.gz NKFUCZWRXILVTK-UHFFFAOYSA-N 1 1 278.355 3.346 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000611392862 348445219 /nfs/dbraw/zinc/44/52/19/348445219.db2.gz RELLGEIURRZRIJ-MJGOQNOKSA-N 1 1 295.430 3.010 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000611392862 348445221 /nfs/dbraw/zinc/44/52/21/348445221.db2.gz RELLGEIURRZRIJ-MJGOQNOKSA-N 1 1 295.430 3.010 20 30 CGEDMO COc1cccc([C@@H](C)[N@@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000612165491 348499510 /nfs/dbraw/zinc/49/95/10/348499510.db2.gz NJBQUQORAFEKKD-CZUORRHYSA-N 1 1 258.365 3.382 20 30 CGEDMO COc1cccc([C@@H](C)[N@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000612165491 348499512 /nfs/dbraw/zinc/49/95/12/348499512.db2.gz NJBQUQORAFEKKD-CZUORRHYSA-N 1 1 258.365 3.382 20 30 CGEDMO CCCOc1cc(C[NH2+]CC(C)(C)C#N)ccc1OC ZINC000612585822 348530498 /nfs/dbraw/zinc/53/04/98/348530498.db2.gz RHXXRTQPPDBKSW-UHFFFAOYSA-N 1 1 276.380 3.123 20 30 CGEDMO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CC(C)(C)C#N ZINC000612588061 348531695 /nfs/dbraw/zinc/53/16/95/348531695.db2.gz OVMLLABSYCAFHT-UHFFFAOYSA-N 1 1 296.418 3.188 20 30 CGEDMO CC(C)(C)c1ccc(C#N)c(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000613412155 348598151 /nfs/dbraw/zinc/59/81/51/348598151.db2.gz PZXCHXLEWQIHRF-CABCVRRESA-N 1 1 298.434 3.289 20 30 CGEDMO CC(C)(C)c1ccc(C#N)c(N[C@H]2CC[N@H+]3CCCC[C@H]23)n1 ZINC000613412254 348598224 /nfs/dbraw/zinc/59/82/24/348598224.db2.gz RHWWJBIUFVGFQH-LSDHHAIUSA-N 1 1 298.434 3.289 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000613479455 348609360 /nfs/dbraw/zinc/60/93/60/348609360.db2.gz BXZVCYAODVVRRQ-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176821 348654880 /nfs/dbraw/zinc/65/48/80/348654880.db2.gz LXMAESKHZOFSRZ-HUUCEWRRSA-N 1 1 285.435 3.012 20 30 CGEDMO C[C@@H]1[C@@H](C)[N@H+](Cc2ccc(C(C)(C)C#N)cc2)CCN1C ZINC000614176821 348654882 /nfs/dbraw/zinc/65/48/82/348654882.db2.gz LXMAESKHZOFSRZ-HUUCEWRRSA-N 1 1 285.435 3.012 20 30 CGEDMO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CCN1C ZINC000614176821 348654884 /nfs/dbraw/zinc/65/48/84/348654884.db2.gz LXMAESKHZOFSRZ-HUUCEWRRSA-N 1 1 285.435 3.012 20 30 CGEDMO C[C@@H]1OCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)[C@H]1C ZINC000614174119 348655500 /nfs/dbraw/zinc/65/55/00/348655500.db2.gz BVCLGYXRAFXDFL-KBPBESRZSA-N 1 1 272.392 3.097 20 30 CGEDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1C ZINC000614402378 348674178 /nfs/dbraw/zinc/67/41/78/348674178.db2.gz CBNNVWONZLFAAP-GOSISDBHSA-N 1 1 294.402 3.246 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000614407658 348674834 /nfs/dbraw/zinc/67/48/34/348674834.db2.gz VPDDSSCFFVMHQN-SJORKVTESA-N 1 1 286.419 3.096 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCO[C@H](C3CC3)C2)cc1 ZINC000614408626 348674878 /nfs/dbraw/zinc/67/48/78/348674878.db2.gz VKPULDMZNWTNFH-KRWDZBQOSA-N 1 1 284.403 3.099 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000614407666 348674890 /nfs/dbraw/zinc/67/48/90/348674890.db2.gz VUKGOWYQEPAGRV-SFHVURJKSA-N 1 1 291.398 3.326 20 30 CGEDMO C[C@@H]1CN(c2ccccc2F)CC[N@H+]1CCC(C)(C)C#N ZINC000616135022 348789044 /nfs/dbraw/zinc/78/90/44/348789044.db2.gz BDSWNQQFLRFVAS-CQSZACIVSA-N 1 1 289.398 3.276 20 30 CGEDMO N#Cc1csc(C[NH2+]Cc2c(F)cc(F)cc2F)c1 ZINC000339524827 215229080 /nfs/dbraw/zinc/22/90/80/215229080.db2.gz VHBKRIQHIGYONE-UHFFFAOYSA-N 1 1 282.290 3.327 20 30 CGEDMO CC[C@@H](N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc(C#N)cc1 ZINC000618568471 349107541 /nfs/dbraw/zinc/10/75/41/349107541.db2.gz WFLNRPWLOVZDIV-ZWKOTPCHSA-N 1 1 283.419 3.083 20 30 CGEDMO CC[C@@H](N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(C#N)cc1 ZINC000618568471 349107542 /nfs/dbraw/zinc/10/75/42/349107542.db2.gz WFLNRPWLOVZDIV-ZWKOTPCHSA-N 1 1 283.419 3.083 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@H](OC(F)F)C2)ccc1C#N ZINC000618602848 349119525 /nfs/dbraw/zinc/11/95/25/349119525.db2.gz QOISMGGZJSPLBM-AWEZNQCLSA-N 1 1 280.318 3.070 20 30 CGEDMO C[C@H](Cc1[nH]cc[nH+]1)OCc1ccc(Cl)cc1C#N ZINC000358804832 233198118 /nfs/dbraw/zinc/19/81/18/233198118.db2.gz TYJFAIQOQVSERN-SNVBAGLBSA-N 1 1 275.739 3.083 20 30 CGEDMO CC(C)[N@H+](CCC#N)Cc1ccc2cnccc2c1 ZINC000618808843 349157663 /nfs/dbraw/zinc/15/76/63/349157663.db2.gz UQVBRWNVYXBXFB-UHFFFAOYSA-N 1 1 253.349 3.359 20 30 CGEDMO CC(C)[N@@H+](CCC#N)Cc1ccc2cnccc2c1 ZINC000618808843 349157665 /nfs/dbraw/zinc/15/76/65/349157665.db2.gz UQVBRWNVYXBXFB-UHFFFAOYSA-N 1 1 253.349 3.359 20 30 CGEDMO C[C@@H]1C[C@@H](C)[NH+]1Cc1ccc(C#N)cc1Br ZINC000619285192 349227561 /nfs/dbraw/zinc/22/75/61/349227561.db2.gz ABGFLQRCZUSHSV-NXEZZACHSA-N 1 1 279.181 3.303 20 30 CGEDMO N#CC1(CCC[N@H+]2CCC[C@H]2c2ccccn2)CCOCC1 ZINC000619620728 349263087 /nfs/dbraw/zinc/26/30/87/349263087.db2.gz QEQRJOMFBXIQEF-KRWDZBQOSA-N 1 1 299.418 3.319 20 30 CGEDMO CC[N@@H+](CCC(F)(F)F)Cc1ccc(C#N)c(OC)c1 ZINC000619674455 349269745 /nfs/dbraw/zinc/26/97/45/349269745.db2.gz WKVAFHZPDOIKTN-UHFFFAOYSA-N 1 1 286.297 3.341 20 30 CGEDMO Cc1cc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)nn1C ZINC000619723841 349278738 /nfs/dbraw/zinc/27/87/38/349278738.db2.gz OJEPCJZZKHXIQJ-OLZOCXBDSA-N 1 1 268.364 3.012 20 30 CGEDMO C[C@]1(C#N)CCC[N@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000619781325 349285241 /nfs/dbraw/zinc/28/52/41/349285241.db2.gz XPZOKEAQVOXVEI-HUUCEWRRSA-N 1 1 262.397 3.104 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000619781325 349285245 /nfs/dbraw/zinc/28/52/45/349285245.db2.gz XPZOKEAQVOXVEI-HUUCEWRRSA-N 1 1 262.397 3.104 20 30 CGEDMO C=CC1CC[NH+](Cc2ccncc2Br)CC1 ZINC000625158657 350134431 /nfs/dbraw/zinc/13/44/31/350134431.db2.gz GWOJERKKVJFILL-UHFFFAOYSA-N 1 1 281.197 3.242 20 30 CGEDMO C=CC[N@@H+](C[C@@H](OC)c1ccc(F)cc1)[C@@H](C)COC ZINC000625530137 350181022 /nfs/dbraw/zinc/18/10/22/350181022.db2.gz IXBQUWDODBVLFY-XJKSGUPXSA-N 1 1 281.371 3.036 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CC(=O)N(C)[C@@H](C)c2ccccc2)C1 ZINC000625703201 350199247 /nfs/dbraw/zinc/19/92/47/350199247.db2.gz YZCGKACIAGWMMF-HOTGVXAUSA-N 1 1 286.419 3.104 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](CCCn2c3ccccc3[nH]c2=O)C1 ZINC000625701879 350199660 /nfs/dbraw/zinc/19/96/60/350199660.db2.gz CFTDKWFJPRVYDF-AWEZNQCLSA-N 1 1 285.391 3.030 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](CC(=O)NC2(c3ccccc3)CCC2)C1 ZINC000625702334 350200098 /nfs/dbraw/zinc/20/00/98/350200098.db2.gz XLUNOCDLTNDDIH-MRXNPFEDSA-N 1 1 298.430 3.080 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2C)C1 ZINC000625704526 350201081 /nfs/dbraw/zinc/20/10/81/350201081.db2.gz OHEGODNUHAYAGK-OAHLLOKOSA-N 1 1 272.392 3.222 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC1(C)COC1 ZINC000625792240 350215011 /nfs/dbraw/zinc/21/50/11/350215011.db2.gz YCNDFENSQIXCIM-UHFFFAOYSA-N 1 1 297.320 3.025 20 30 CGEDMO C[C@H]1CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CC12CCC2 ZINC000271351584 191090455 /nfs/dbraw/zinc/09/04/55/191090455.db2.gz OMXYDMAVYHRNBZ-YOEHRIQHSA-N 1 1 284.403 3.104 20 30 CGEDMO C=CC(C)(C)CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000628315595 350497268 /nfs/dbraw/zinc/49/72/68/350497268.db2.gz QAGMIEAUOPBWIF-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000628405926 350529369 /nfs/dbraw/zinc/52/93/69/350529369.db2.gz XTDCPHWQOGGMDX-CYBMUJFWSA-N 1 1 261.365 3.102 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2F)C1 ZINC000628406335 350529708 /nfs/dbraw/zinc/52/97/08/350529708.db2.gz HSVOKQCAHCGKIG-LBPRGKRZSA-N 1 1 279.355 3.241 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cccc(O)c2Cl)C1 ZINC000628406320 350530162 /nfs/dbraw/zinc/53/01/62/350530162.db2.gz HJSSFUPTGNHFOR-LLVKDONJSA-N 1 1 251.757 3.444 20 30 CGEDMO C=CC(C)(C)CC[NH2+][C@@H](Cc1ccccc1)[C@H](C)N ZINC000629509673 350698777 /nfs/dbraw/zinc/69/87/77/350698777.db2.gz HBSRSSKMZZPHCY-HOCLYGCPSA-N 1 1 260.425 3.137 20 30 CGEDMO C=C1CC(C)(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000630751074 350883188 /nfs/dbraw/zinc/88/31/88/350883188.db2.gz WMXDHXLMHVEPOB-GASCZTMLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000631313990 351023018 /nfs/dbraw/zinc/02/30/18/351023018.db2.gz UVCAHMDWDPTQIE-QGZVFWFLSA-N 1 1 298.430 3.124 20 30 CGEDMO N#Cc1csc(C[NH2+][C@H]2CCCc3cc(F)ccc32)n1 ZINC000336508563 213384462 /nfs/dbraw/zinc/38/44/62/213384462.db2.gz KEODCIOSHFONAA-AWEZNQCLSA-N 1 1 287.363 3.321 20 30 CGEDMO Cc1[nH+]ccn1CCCN(C)c1ccc(C#N)c(Cl)c1 ZINC000120183713 186881474 /nfs/dbraw/zinc/88/14/74/186881474.db2.gz HEVKPRDODFPSRO-UHFFFAOYSA-N 1 1 288.782 3.243 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)c(F)c1 ZINC000291479970 198032755 /nfs/dbraw/zinc/03/27/55/198032755.db2.gz FRCLOZJCBDNOJY-MRXNPFEDSA-N 1 1 270.351 3.462 20 30 CGEDMO C=CCOc1cccc(NC(=O)Cn2cc[nH+]c2C(C)C)c1 ZINC000635416704 351656824 /nfs/dbraw/zinc/65/68/24/351656824.db2.gz MXGRZYHCDVFLRX-UHFFFAOYSA-N 1 1 299.374 3.210 20 30 CGEDMO C=CCC[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000635717691 351685602 /nfs/dbraw/zinc/68/56/02/351685602.db2.gz TYPVKRGHQUKXIG-DOTOQJQBSA-N 1 1 286.419 3.152 20 30 CGEDMO C=CCCc1ccccc1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635898327 351701337 /nfs/dbraw/zinc/70/13/37/351701337.db2.gz ZSHKVLJIAPIMKZ-AWEZNQCLSA-N 1 1 272.392 3.086 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCc1ccccn1 ZINC000122886391 187057917 /nfs/dbraw/zinc/05/79/17/187057917.db2.gz ZJJWGZGNQRDTTI-AWEZNQCLSA-N 1 1 265.360 3.189 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1c(C)cccc1Cl)C1CC1 ZINC000271469461 191154803 /nfs/dbraw/zinc/15/48/03/191154803.db2.gz RAGRWQGDJMSGPE-UHFFFAOYSA-N 1 1 278.783 3.237 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1c(C)cccc1Cl)C1CC1 ZINC000271469461 191154806 /nfs/dbraw/zinc/15/48/06/191154806.db2.gz RAGRWQGDJMSGPE-UHFFFAOYSA-N 1 1 278.783 3.237 20 30 CGEDMO C=CC[N@H+](C[C@H](O)c1ccccc1Cl)C1CC1 ZINC000271472951 191158774 /nfs/dbraw/zinc/15/87/74/191158774.db2.gz RNJKMKBRLKBWKM-AWEZNQCLSA-N 1 1 251.757 3.024 20 30 CGEDMO C=CC[N@H+](C)Cc1cc(OC)ccc1OCc1ccccn1 ZINC000154778358 188161257 /nfs/dbraw/zinc/16/12/57/188161257.db2.gz ACVGQLRSVXBWML-UHFFFAOYSA-N 1 1 298.386 3.287 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000156792042 188281936 /nfs/dbraw/zinc/28/19/36/188281936.db2.gz CDPMKONBYUWPIX-IRXDYDNUSA-N 1 1 275.367 3.127 20 30 CGEDMO C=CCC[C@@H]([NH2+]Cc1nnc2n1CCCC2)c1ccccc1 ZINC000271741844 191300872 /nfs/dbraw/zinc/30/08/72/191300872.db2.gz PWJRSKCRQNLFOJ-MRXNPFEDSA-N 1 1 296.418 3.412 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1 ZINC000289478704 283138538 /nfs/dbraw/zinc/13/85/38/283138538.db2.gz ICAMXQONDGDTFT-IAGOWNOFSA-N 1 1 282.387 3.092 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)s1 ZINC000131321207 283141579 /nfs/dbraw/zinc/14/15/79/283141579.db2.gz ZTISSZOEDKHDCO-UONOGXRCSA-N 1 1 278.446 3.480 20 30 CGEDMO C#CCC[N@H+](C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273520266 192184391 /nfs/dbraw/zinc/18/43/91/192184391.db2.gz PWDTUXHDJYJDPX-CVEARBPZSA-N 1 1 261.340 3.001 20 30 CGEDMO C=CC[N@@H+](Cc1cnc(N(CC)CC)s1)C1CC1 ZINC000273557909 192203657 /nfs/dbraw/zinc/20/36/57/192203657.db2.gz ZWLLKSANBZJRDE-UHFFFAOYSA-N 1 1 265.426 3.140 20 30 CGEDMO C=CC[N@H+](Cc1cnc(N(CC)CC)s1)C1CC1 ZINC000273557909 192203659 /nfs/dbraw/zinc/20/36/59/192203659.db2.gz ZWLLKSANBZJRDE-UHFFFAOYSA-N 1 1 265.426 3.140 20 30 CGEDMO N#Cc1ccc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(F)c1 ZINC000269467085 283168216 /nfs/dbraw/zinc/16/82/16/283168216.db2.gz ZFCSWEHROGOAFD-YOEHRIQHSA-N 1 1 299.393 3.150 20 30 CGEDMO CC[N@H+](Cc1cc(C#N)cs1)Cc1ccccn1 ZINC000093338929 138344732 /nfs/dbraw/zinc/34/47/32/138344732.db2.gz NPDXRXVDAJMIJA-UHFFFAOYSA-N 1 1 257.362 3.037 20 30 CGEDMO CC[N@@H+](Cc1cc(C#N)cs1)Cc1ccccn1 ZINC000093338929 138344733 /nfs/dbraw/zinc/34/47/33/138344733.db2.gz NPDXRXVDAJMIJA-UHFFFAOYSA-N 1 1 257.362 3.037 20 30 CGEDMO CCCO[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000108394227 138360220 /nfs/dbraw/zinc/36/02/20/138360220.db2.gz OTGTVTOUQUVPHR-MRXNPFEDSA-N 1 1 290.382 3.478 20 30 CGEDMO CC[C@@H]1CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000128835089 138395185 /nfs/dbraw/zinc/39/51/85/138395185.db2.gz XMDXVSAAFKYFKA-CQSZACIVSA-N 1 1 282.391 3.218 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000449457221 283247264 /nfs/dbraw/zinc/24/72/64/283247264.db2.gz UGKPZCGKMPOSDA-XHSDSOJGSA-N 1 1 290.432 3.135 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@H]3CCCOC3)CC2)cc1 ZINC000336244784 213077877 /nfs/dbraw/zinc/07/78/77/213077877.db2.gz AJDHAGREOFYEFU-MRXNPFEDSA-N 1 1 282.387 3.074 20 30 CGEDMO Cc1cccc(NCCNc2c(Cl)cccc2C#N)[nH+]1 ZINC000427370479 236328293 /nfs/dbraw/zinc/32/82/93/236328293.db2.gz SCBLAZXWCJJXJU-UHFFFAOYSA-N 1 1 286.766 3.439 20 30 CGEDMO Cc1cccc(NCCNc2ccc(Cl)cc2C#N)[nH+]1 ZINC000427402083 236329380 /nfs/dbraw/zinc/32/93/80/236329380.db2.gz AROLKMCHTGLIEY-UHFFFAOYSA-N 1 1 286.766 3.439 20 30 CGEDMO N#Cc1c(F)cccc1C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000428342304 236395796 /nfs/dbraw/zinc/39/57/96/236395796.db2.gz ADABSMHMVGRVTJ-QGZVFWFLSA-N 1 1 281.334 3.333 20 30 CGEDMO COC[C@H]([NH2+]Cc1cccc(C#N)c1F)c1ccccc1 ZINC000341636498 216044411 /nfs/dbraw/zinc/04/44/11/216044411.db2.gz IKRKRVHEJTUBMS-INIZCTEOSA-N 1 1 284.334 3.175 20 30 CGEDMO Cc1c([C@@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)cnn1C ZINC000439454833 238256467 /nfs/dbraw/zinc/25/64/67/238256467.db2.gz SPNIZAZGHVXFPC-SNVBAGLBSA-N 1 1 288.782 3.104 20 30 CGEDMO N#Cc1ccc(C[NH+]2CCC(C(F)(F)F)CC2)s1 ZINC000179964922 189229440 /nfs/dbraw/zinc/22/94/40/189229440.db2.gz OFMWASSFXLIJOM-UHFFFAOYSA-N 1 1 274.311 3.394 20 30 CGEDMO N#Cc1ccc(C[N@H+](Cc2cncs2)C2CC2)cc1 ZINC000180028863 189233260 /nfs/dbraw/zinc/23/32/60/189233260.db2.gz FRLUIBGHWWKVRO-UHFFFAOYSA-N 1 1 269.373 3.179 20 30 CGEDMO N#Cc1ccc(C[N@@H+](Cc2cncs2)C2CC2)cc1 ZINC000180028863 189233261 /nfs/dbraw/zinc/23/32/61/189233261.db2.gz FRLUIBGHWWKVRO-UHFFFAOYSA-N 1 1 269.373 3.179 20 30 CGEDMO CCC[N@@H+](CCC(C)(C)C#N)C[C@H]1CCCCO1 ZINC000119640531 370695336 /nfs/dbraw/zinc/69/53/36/370695336.db2.gz MNGKDHXEQWLRCV-CQSZACIVSA-N 1 1 252.402 3.207 20 30 CGEDMO CC(C)Cn1cc(C[N@H+](C)Cc2ccc(C#N)cc2)cn1 ZINC000183048288 189343766 /nfs/dbraw/zinc/34/37/66/189343766.db2.gz SVSPHHGLEOVWCG-UHFFFAOYSA-N 1 1 282.391 3.043 20 30 CGEDMO CC(C)Cn1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)cn1 ZINC000183048288 189343767 /nfs/dbraw/zinc/34/37/67/189343767.db2.gz SVSPHHGLEOVWCG-UHFFFAOYSA-N 1 1 282.391 3.043 20 30 CGEDMO CC(=O)c1ccc(C#N)cc1NCCCCn1cc[nH+]c1C ZINC000302113602 201346691 /nfs/dbraw/zinc/34/66/91/201346691.db2.gz QPOQFDIBMOAOMT-UHFFFAOYSA-N 1 1 296.374 3.158 20 30 CGEDMO CCn1nccc1C[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000119864415 370715634 /nfs/dbraw/zinc/71/56/34/370715634.db2.gz AEMQJEDEPXFTEL-CQSZACIVSA-N 1 1 282.391 3.358 20 30 CGEDMO Cc1cc(Cn2c[nH+]c3c2C[C@@H](C)[C@H](C)C3)ccc1C#N ZINC000450996706 240187354 /nfs/dbraw/zinc/18/73/54/240187354.db2.gz GYEQBUALARSJQV-CHWSQXEVSA-N 1 1 279.387 3.482 20 30 CGEDMO CCO[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@H]1C ZINC000451527378 240320047 /nfs/dbraw/zinc/32/00/47/240320047.db2.gz HIDYIVRJOSNRHF-MLGOLLRUSA-N 1 1 292.810 3.459 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)CCc1ccc(F)cc1 ZINC000120694895 370792667 /nfs/dbraw/zinc/79/26/67/370792667.db2.gz INAQDOOMYCYDDT-UHFFFAOYSA-N 1 1 298.361 3.380 20 30 CGEDMO CCC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000120890993 370810650 /nfs/dbraw/zinc/81/06/50/370810650.db2.gz XLJFDJHAOMEVBU-OAHLLOKOSA-N 1 1 285.391 3.009 20 30 CGEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(C#N)c2)C12CCC2 ZINC000120949814 370816351 /nfs/dbraw/zinc/81/63/51/370816351.db2.gz PWGBGFZHBHXGMS-DLBZAZTESA-N 1 1 284.403 3.338 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000121315798 370850696 /nfs/dbraw/zinc/85/06/96/370850696.db2.gz WENXQYKSRIJUAF-MRXNPFEDSA-N 1 1 281.359 3.232 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000121315798 370850700 /nfs/dbraw/zinc/85/07/00/370850700.db2.gz WENXQYKSRIJUAF-MRXNPFEDSA-N 1 1 281.359 3.232 20 30 CGEDMO C=CC[N@@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000121382444 370856027 /nfs/dbraw/zinc/85/60/27/370856027.db2.gz CATLVLGXKXXBMG-VIFPVBQESA-N 1 1 287.190 3.438 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000121382444 370856029 /nfs/dbraw/zinc/85/60/29/370856029.db2.gz CATLVLGXKXXBMG-VIFPVBQESA-N 1 1 287.190 3.438 20 30 CGEDMO CC[C@@H]1CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459307569 242064537 /nfs/dbraw/zinc/06/45/37/242064537.db2.gz OJDQTOZYWYUTAH-GFCCVEGCSA-N 1 1 273.336 3.088 20 30 CGEDMO CC[C@@H]1CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459307569 242064541 /nfs/dbraw/zinc/06/45/41/242064541.db2.gz OJDQTOZYWYUTAH-GFCCVEGCSA-N 1 1 273.336 3.088 20 30 CGEDMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000459762661 242217655 /nfs/dbraw/zinc/21/76/55/242217655.db2.gz UCQGRVJDKYSWTG-LBPRGKRZSA-N 1 1 272.323 3.353 20 30 CGEDMO C[N@@H+](CCOc1ccc(F)cc1)Cc1cc(C#N)cs1 ZINC000121481199 370863839 /nfs/dbraw/zinc/86/38/39/370863839.db2.gz QBROXYKLPJCMNK-UHFFFAOYSA-N 1 1 290.363 3.270 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000175950305 335220238 /nfs/dbraw/zinc/22/02/38/335220238.db2.gz UPEOYCVXEQOZBV-KRWDZBQOSA-N 1 1 259.393 3.286 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000248217231 260897562 /nfs/dbraw/zinc/89/75/62/260897562.db2.gz GSNMHINUXMBFSD-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCOc1cccc(CN(C)C2CC[NH+](CC)CC2)c1 ZINC000125226196 370932454 /nfs/dbraw/zinc/93/24/54/370932454.db2.gz IERSMZGDKCBZIT-UHFFFAOYSA-N 1 1 288.435 3.168 20 30 CGEDMO C=CC[N@H+](Cc1ccco1)Cc1cccc(C#N)c1 ZINC000123058800 370910032 /nfs/dbraw/zinc/91/00/32/370910032.db2.gz BRXOHIMDVALIDY-UHFFFAOYSA-N 1 1 252.317 3.339 20 30 CGEDMO C=CC[N@@H+](Cc1ccco1)Cc1cccc(C#N)c1 ZINC000123058800 370910033 /nfs/dbraw/zinc/91/00/33/370910033.db2.gz BRXOHIMDVALIDY-UHFFFAOYSA-N 1 1 252.317 3.339 20 30 CGEDMO CCCC[N@@H+](CC)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000019846839 368773111 /nfs/dbraw/zinc/77/31/11/368773111.db2.gz LAIWSAMPWGOEEL-CYBMUJFWSA-N 1 1 273.380 3.007 20 30 CGEDMO C[C@@H]1CCC[C@@H]([N@@H+](C)CC(=O)Nc2cccc(C#N)c2)C1 ZINC000026466424 368859979 /nfs/dbraw/zinc/85/99/79/368859979.db2.gz ABGYQYIXZZINBK-CZUORRHYSA-N 1 1 285.391 3.007 20 30 CGEDMO C[N@@H+](CCOc1ccccc1C#N)Cc1ccccc1 ZINC000034674006 368976680 /nfs/dbraw/zinc/97/66/80/368976680.db2.gz FTZWOGBGRWCWLF-UHFFFAOYSA-N 1 1 266.344 3.069 20 30 CGEDMO C[C@H]([NH2+]Cc1cn2ccccc2n1)c1ccc(C#N)cc1 ZINC000037749583 369104338 /nfs/dbraw/zinc/10/43/38/369104338.db2.gz QDNOABVQOVXMHR-ZDUSSCGKSA-N 1 1 276.343 3.057 20 30 CGEDMO CC(C)C[N@@H+](CCOc1ccc(C#N)cc1)C1CC1 ZINC000045751478 369286154 /nfs/dbraw/zinc/28/61/54/369286154.db2.gz KHQMDUNDRUWVOU-UHFFFAOYSA-N 1 1 258.365 3.057 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)ccc1F)C(C1CC1)C1CC1 ZINC000050989040 369446568 /nfs/dbraw/zinc/44/65/68/369446568.db2.gz JOHWRKMCOSWRME-UHFFFAOYSA-N 1 1 258.340 3.318 20 30 CGEDMO CC[N@H+]1CCC[C@@H]1CNc1ccc(Cl)cc1C#N ZINC000052856886 369473792 /nfs/dbraw/zinc/47/37/92/369473792.db2.gz LULAEAFUTTYPNE-CYBMUJFWSA-N 1 1 263.772 3.108 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@](C)(O)C2)cc1Cl ZINC000129409675 370985485 /nfs/dbraw/zinc/98/54/85/370985485.db2.gz AQULPAADDUOEMG-MRXNPFEDSA-N 1 1 295.810 3.252 20 30 CGEDMO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H]2C2CCCC2)c1 ZINC000055928117 369523463 /nfs/dbraw/zinc/52/34/63/369523463.db2.gz ZYXDKLUMKRUIKU-KRWDZBQOSA-N 1 1 297.402 3.151 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(OCc2nccn2C)cc1 ZINC000276355029 193296951 /nfs/dbraw/zinc/29/69/51/193296951.db2.gz DWCPNBPWPYBWDG-UHFFFAOYSA-N 1 1 285.391 3.007 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000276415650 193321937 /nfs/dbraw/zinc/32/19/37/193321937.db2.gz MCNHDLMGOZHMAI-LLVKDONJSA-N 1 1 291.782 3.047 20 30 CGEDMO CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc(CC#N)cc1 ZINC000074186380 369872275 /nfs/dbraw/zinc/87/22/75/369872275.db2.gz RQRGTAZYAVLBDA-UHFFFAOYSA-N 1 1 296.374 3.101 20 30 CGEDMO CC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H](C)C(C)C ZINC000075673591 369915351 /nfs/dbraw/zinc/91/53/51/369915351.db2.gz MQGYAFYQGPADEL-CYBMUJFWSA-N 1 1 298.390 3.475 20 30 CGEDMO CC[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075616134 369915650 /nfs/dbraw/zinc/91/56/50/369915650.db2.gz QRRVIUGXSOOYRR-OAHLLOKOSA-N 1 1 296.374 3.373 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000075674327 369915759 /nfs/dbraw/zinc/91/57/59/369915759.db2.gz FEMCXTOFBBJULP-ZDUSSCGKSA-N 1 1 296.374 3.230 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1sccc1Br ZINC000087575626 370027672 /nfs/dbraw/zinc/02/76/72/370027672.db2.gz QTAAVZWMQQNHRE-UHFFFAOYSA-N 1 1 266.591 3.353 20 30 CGEDMO Cc1nc(CO[NH+]=C(N)C2CCCCC2)sc1C ZINC000088512240 370035184 /nfs/dbraw/zinc/03/51/84/370035184.db2.gz VNKNCWBLDMWBSD-UHFFFAOYSA-N 1 1 267.398 3.129 20 30 CGEDMO CC(C)[N@H+](CCC#N)Cc1ccnc2ccccc12 ZINC000092347673 370095238 /nfs/dbraw/zinc/09/52/38/370095238.db2.gz OGPCTSPMWJXRCV-UHFFFAOYSA-N 1 1 253.349 3.359 20 30 CGEDMO CC(C)[N@@H+](CCC#N)Cc1ccnc2ccccc12 ZINC000092347673 370095240 /nfs/dbraw/zinc/09/52/40/370095240.db2.gz OGPCTSPMWJXRCV-UHFFFAOYSA-N 1 1 253.349 3.359 20 30 CGEDMO C=CCCC[N@H+](C)Cc1c(OC)cc(OC)cc1OC ZINC000093533636 370139475 /nfs/dbraw/zinc/13/94/75/370139475.db2.gz LSNUIBHBCMTKTP-UHFFFAOYSA-N 1 1 279.380 3.110 20 30 CGEDMO CC[C@@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)CC1 ZINC000117346439 370587721 /nfs/dbraw/zinc/58/77/21/370587721.db2.gz KXJKXCMGEQHICN-GFCCVEGCSA-N 1 1 291.420 3.070 20 30 CGEDMO CC[C@@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)CC1 ZINC000117346439 370587725 /nfs/dbraw/zinc/58/77/25/370587725.db2.gz KXJKXCMGEQHICN-GFCCVEGCSA-N 1 1 291.420 3.070 20 30 CGEDMO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000118417776 370614525 /nfs/dbraw/zinc/61/45/25/370614525.db2.gz QNFMIGJQNZSNSZ-OLZOCXBDSA-N 1 1 285.416 3.137 20 30 CGEDMO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000118417776 370614530 /nfs/dbraw/zinc/61/45/30/370614530.db2.gz QNFMIGJQNZSNSZ-OLZOCXBDSA-N 1 1 285.416 3.137 20 30 CGEDMO CC(C)C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000130267657 371022021 /nfs/dbraw/zinc/02/20/21/371022021.db2.gz CUORSTOTBUKQTM-INIZCTEOSA-N 1 1 299.418 3.397 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](C)CC[C@H]1C ZINC000130477187 371036929 /nfs/dbraw/zinc/03/69/29/371036929.db2.gz MGHCWMNKNHNKCE-QWHCGFSZSA-N 1 1 258.365 3.187 20 30 CGEDMO N#Cc1cccc(C[NH2+]Cc2nc(C3CC3)cs2)c1 ZINC000131138325 371085808 /nfs/dbraw/zinc/08/58/08/371085808.db2.gz GNUVDFIVHSSGRD-UHFFFAOYSA-N 1 1 269.373 3.182 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2ccc(Cl)s2)o1 ZINC000135481458 371430206 /nfs/dbraw/zinc/43/02/06/371430206.db2.gz OKVXAGCIJJOABH-UHFFFAOYSA-N 1 1 252.726 3.156 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000151008468 371558678 /nfs/dbraw/zinc/55/86/78/371558678.db2.gz CCUVWOMZEXYKHN-KRWDZBQOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000287980374 371722513 /nfs/dbraw/zinc/72/25/13/371722513.db2.gz ZWESXNBJBFSVCH-UHFFFAOYSA-N 1 1 263.356 3.383 20 30 CGEDMO C[C@H]1C[C@H](Nc2cc(C#N)ccn2)C[N@H+]1Cc1ccccc1 ZINC000287981620 371723946 /nfs/dbraw/zinc/72/39/46/371723946.db2.gz UXHSTCCBFAMQHW-YOEHRIQHSA-N 1 1 292.386 3.028 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000154484126 371849915 /nfs/dbraw/zinc/84/99/15/371849915.db2.gz HVOHMGRIHTYZSY-UHFFFAOYSA-N 1 1 264.344 3.051 20 30 CGEDMO Cc1ccncc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000344076658 217039167 /nfs/dbraw/zinc/03/91/67/217039167.db2.gz VOOBKWKMAGVBSZ-UHFFFAOYSA-N 1 1 277.371 3.426 20 30 CGEDMO C=CC[N@H+](C)Cc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000154776008 371879231 /nfs/dbraw/zinc/87/92/31/371879231.db2.gz YHRFTFHRCMSPEZ-UHFFFAOYSA-N 1 1 283.419 3.474 20 30 CGEDMO C=CC[N@@H+](C)Cc1cnc(-c2cccs2)s1 ZINC000154782553 371879403 /nfs/dbraw/zinc/87/94/03/371879403.db2.gz KGSDBPQCGHZMEF-UHFFFAOYSA-N 1 1 250.392 3.489 20 30 CGEDMO C=CC[N@H+](C)Cc1cnc(-c2cccs2)s1 ZINC000154782553 371879406 /nfs/dbraw/zinc/87/94/06/371879406.db2.gz KGSDBPQCGHZMEF-UHFFFAOYSA-N 1 1 250.392 3.489 20 30 CGEDMO C#CC[N@@H+](CC(=O)Nc1ccccc1Cl)C1CCCC1 ZINC000155808579 371945162 /nfs/dbraw/zinc/94/51/62/371945162.db2.gz HUEFCXVSWOWHCW-UHFFFAOYSA-N 1 1 290.794 3.156 20 30 CGEDMO C#CC[N@H+](CC(=O)Nc1ccccc1Cl)C1CCCC1 ZINC000155808579 371945168 /nfs/dbraw/zinc/94/51/68/371945168.db2.gz HUEFCXVSWOWHCW-UHFFFAOYSA-N 1 1 290.794 3.156 20 30 CGEDMO CC#CCC[N@H+](C)Cc1ccccc1Br ZINC000155029573 371899642 /nfs/dbraw/zinc/89/96/42/371899642.db2.gz FXKBBJXEYCHWBB-UHFFFAOYSA-N 1 1 266.182 3.294 20 30 CGEDMO CC#CCC[N@@H+](C)Cc1ccccc1Br ZINC000155029573 371899647 /nfs/dbraw/zinc/89/96/47/371899647.db2.gz FXKBBJXEYCHWBB-UHFFFAOYSA-N 1 1 266.182 3.294 20 30 CGEDMO CC#CCC[N@@H+]1CCC[C@H]1Cc1ccccc1OC ZINC000155317332 371921103 /nfs/dbraw/zinc/92/11/03/371921103.db2.gz GJFCDXLTQLAYNW-INIZCTEOSA-N 1 1 257.377 3.116 20 30 CGEDMO N#Cc1ccccc1OCC[N@H+]1CCC[C@H](C2CC2)C1 ZINC000344123214 217060629 /nfs/dbraw/zinc/06/06/29/217060629.db2.gz VHFLAKZTQBOGTI-INIZCTEOSA-N 1 1 270.376 3.059 20 30 CGEDMO Clc1cccc(C#CC[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000156260481 371969993 /nfs/dbraw/zinc/96/99/93/371969993.db2.gz HMHMXRHTUYXQPV-OAHLLOKOSA-N 1 1 299.805 3.294 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000157640202 372031167 /nfs/dbraw/zinc/03/11/67/372031167.db2.gz WRUMLUAFPIBWFB-CYBMUJFWSA-N 1 1 254.333 3.031 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000157700978 372034633 /nfs/dbraw/zinc/03/46/33/372034633.db2.gz ZAGZSEVWXMRLCD-HNNXBMFYSA-N 1 1 271.408 3.268 20 30 CGEDMO C=CCc1cc(C[N@H+](C)CCCC)cc(OC)c1O ZINC000158155499 372056542 /nfs/dbraw/zinc/05/65/42/372056542.db2.gz CIVWNEHBQBSMSF-UHFFFAOYSA-N 1 1 263.381 3.361 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000291114437 372119249 /nfs/dbraw/zinc/11/92/49/372119249.db2.gz KRYCMJOKDXEKIF-CYBMUJFWSA-N 1 1 273.298 3.247 20 30 CGEDMO CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)C1CCC1 ZINC000426995220 372172093 /nfs/dbraw/zinc/17/20/93/372172093.db2.gz NTLNFTVNACMVJI-UHFFFAOYSA-N 1 1 291.420 3.050 20 30 CGEDMO C#CC[N@H+](Cc1ccccn1)[C@@H]1CCc2ccccc21 ZINC000159267053 372125328 /nfs/dbraw/zinc/12/53/28/372125328.db2.gz RKLDMUIAESMQOO-GOSISDBHSA-N 1 1 262.356 3.204 20 30 CGEDMO C#CC[N@@H+](Cc1ccccn1)[C@@H]1CCc2ccccc21 ZINC000159267053 372125337 /nfs/dbraw/zinc/12/53/37/372125337.db2.gz RKLDMUIAESMQOO-GOSISDBHSA-N 1 1 262.356 3.204 20 30 CGEDMO C[C@@H](C1CC1)[N@@H+](Cc1cccc(F)c1C#N)C1CC1 ZINC000428470394 372216929 /nfs/dbraw/zinc/21/69/29/372216929.db2.gz OLQKVDOSEFBCLP-NSHDSACASA-N 1 1 258.340 3.460 20 30 CGEDMO Cc1ccoc1C[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000292390526 372190596 /nfs/dbraw/zinc/19/05/96/372190596.db2.gz SFJAFBUDOYTRNP-UHFFFAOYSA-N 1 1 257.308 3.211 20 30 CGEDMO Cc1ccoc1C[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000292390526 372190603 /nfs/dbraw/zinc/19/06/03/372190603.db2.gz SFJAFBUDOYTRNP-UHFFFAOYSA-N 1 1 257.308 3.211 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428810570 372265862 /nfs/dbraw/zinc/26/58/62/372265862.db2.gz YKWVTRSESMLJMB-HOCLYGCPSA-N 1 1 285.391 3.151 20 30 CGEDMO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)[NH2+]Cc1cccc(C#N)c1 ZINC000237558969 189882084 /nfs/dbraw/zinc/88/20/84/189882084.db2.gz NRLJECYLNVCUMM-OAGGEKHMSA-N 1 1 285.435 3.014 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+](C(C)C)[C@@H](C)c2ccccc2)C1=O ZINC000428864311 372273570 /nfs/dbraw/zinc/27/35/70/372273570.db2.gz SVJWNFZQIOEDJE-RDJZCZTQSA-N 1 1 286.419 3.245 20 30 CGEDMO CN(CC[C@@H]1CCCC[N@H+]1C)Cc1cc(F)ccc1C#N ZINC000160802892 372277640 /nfs/dbraw/zinc/27/76/40/372277640.db2.gz JLAHBMLRUWJQGJ-KRWDZBQOSA-N 1 1 289.398 3.004 20 30 CGEDMO N#Cc1cc(F)ccc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000161927265 372361056 /nfs/dbraw/zinc/36/10/56/372361056.db2.gz PZDJIPVWPYCFDD-FZKQIMNGSA-N 1 1 299.393 3.150 20 30 CGEDMO CC(C)CCC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000429324413 372351850 /nfs/dbraw/zinc/35/18/50/372351850.db2.gz DWDCLXYBCYRWBQ-KRWDZBQOSA-N 1 1 272.392 3.368 20 30 CGEDMO CC(C)CCC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000429324413 372351864 /nfs/dbraw/zinc/35/18/64/372351864.db2.gz DWDCLXYBCYRWBQ-KRWDZBQOSA-N 1 1 272.392 3.368 20 30 CGEDMO C[C@@H]1CC[C@H]([N@H+](CC#Cc2ccc(Cl)cc2)CCO)C1 ZINC000429768513 372377390 /nfs/dbraw/zinc/37/73/90/372377390.db2.gz SREQQACFGPMPEB-PBHICJAKSA-N 1 1 291.822 3.174 20 30 CGEDMO CCc1nocc1C[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000293458185 372388588 /nfs/dbraw/zinc/38/85/88/372388588.db2.gz PYSXTCHTUFFDIP-UHFFFAOYSA-N 1 1 299.374 3.010 20 30 CGEDMO C[C@H]1CCC[C@@H]([NH+]2CCC(NCC3(CC#N)CC3)CC2)C1 ZINC000430766644 372396534 /nfs/dbraw/zinc/39/65/34/372396534.db2.gz XOLVDWBNUHSOTC-DOTOQJQBSA-N 1 1 289.467 3.313 20 30 CGEDMO CC[C@@H]1CCCC[N@H+]1CCNCc1ccc(C#N)cc1F ZINC000344407337 217184656 /nfs/dbraw/zinc/18/46/56/217184656.db2.gz KITRBHJPLTWJKX-MRXNPFEDSA-N 1 1 289.398 3.051 20 30 CGEDMO CC[C@@H]1CCCCN1CC[NH2+]Cc1ccc(C#N)cc1F ZINC000344407337 217184657 /nfs/dbraw/zinc/18/46/57/217184657.db2.gz KITRBHJPLTWJKX-MRXNPFEDSA-N 1 1 289.398 3.051 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1)CC(C)(C)C#N ZINC000433306619 372587608 /nfs/dbraw/zinc/58/76/08/372587608.db2.gz RUGKKLYWSDQMMM-UHFFFAOYSA-N 1 1 293.798 3.150 20 30 CGEDMO CC(C)[N@@H+](C)CCNc1cccc(Br)c1C#N ZINC000168529759 372613083 /nfs/dbraw/zinc/61/30/83/372613083.db2.gz DDRWHAQTKLHHKB-UHFFFAOYSA-N 1 1 296.212 3.073 20 30 CGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCCc3ccccc3C2)cc1 ZINC000170811650 372666685 /nfs/dbraw/zinc/66/66/85/372666685.db2.gz NIOSUXHKEWUIIJ-IBGZPJMESA-N 1 1 292.382 3.040 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1cccnc1 ZINC000171146427 372720396 /nfs/dbraw/zinc/72/03/96/372720396.db2.gz HKFZGLPJHOCNOO-ZDUSSCGKSA-N 1 1 251.333 3.146 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CC[C@@](C)(c2ccc(C)cc2)C1 ZINC000434756241 372708808 /nfs/dbraw/zinc/70/88/08/372708808.db2.gz YRVZQDMIYFCEMA-QZTJIDSGSA-N 1 1 273.420 3.286 20 30 CGEDMO C[C@H]1CCCC[N@@H+]1CCCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353412324 220069711 /nfs/dbraw/zinc/06/97/11/220069711.db2.gz LSWODKLTWNGFRC-HNAYVOBHSA-N 1 1 297.446 3.400 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353412324 220069715 /nfs/dbraw/zinc/06/97/15/220069715.db2.gz LSWODKLTWNGFRC-HNAYVOBHSA-N 1 1 297.446 3.400 20 30 CGEDMO CCN(CC)c1ccc(C[N@H+](C)[C@H](C)CC#N)cc1 ZINC000171760910 372823165 /nfs/dbraw/zinc/82/31/65/372823165.db2.gz FVKFOTFJRCBGJV-CQSZACIVSA-N 1 1 259.397 3.267 20 30 CGEDMO CCN(CC)c1ccc(C[N@@H+](C)[C@H](C)CC#N)cc1 ZINC000171760910 372823175 /nfs/dbraw/zinc/82/31/75/372823175.db2.gz FVKFOTFJRCBGJV-CQSZACIVSA-N 1 1 259.397 3.267 20 30 CGEDMO COc1cccc(C2CC[NH+](C[C@H](C#N)CCC#N)CC2)c1 ZINC000171988693 372877263 /nfs/dbraw/zinc/87/72/63/372877263.db2.gz LTZRNSHWQFTEFP-HNNXBMFYSA-N 1 1 297.402 3.318 20 30 CGEDMO Clc1ccccc1C#CC[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000441159141 372998747 /nfs/dbraw/zinc/99/87/47/372998747.db2.gz TXKKBFLNOUXRRY-RDJZCZTQSA-N 1 1 289.806 3.192 20 30 CGEDMO C[N@H+](Cc1cc(C#N)ccc1F)[C@H](CCO)c1ccccc1 ZINC000441410536 373007863 /nfs/dbraw/zinc/00/78/63/373007863.db2.gz DQKYPFKQEUXHKB-GOSISDBHSA-N 1 1 298.361 3.253 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)ccc1F)[C@H](CCO)c1ccccc1 ZINC000441410536 373007870 /nfs/dbraw/zinc/00/78/70/373007870.db2.gz DQKYPFKQEUXHKB-GOSISDBHSA-N 1 1 298.361 3.253 20 30 CGEDMO CCC[N@@H+](CC#Cc1ccc(F)cc1)C[C@H]1CCCCO1 ZINC000440309281 372986045 /nfs/dbraw/zinc/98/60/45/372986045.db2.gz AMWDVMVGBBOCBE-GOSISDBHSA-N 1 1 289.394 3.458 20 30 CGEDMO Clc1ccccc1C#CC[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000441661728 373030552 /nfs/dbraw/zinc/03/05/52/373030552.db2.gz AOOQRJBYNVDSEX-HZPDHXFCSA-N 1 1 289.806 3.050 20 30 CGEDMO C=CCCCCC[N@H+](C)CCC(=O)N1CCC[C@@H]1C ZINC000441456828 373018954 /nfs/dbraw/zinc/01/89/54/373018954.db2.gz ILFZHMCLZIBYFN-HNNXBMFYSA-N 1 1 266.429 3.066 20 30 CGEDMO CCC(CC)[C@H](CN[C@H]1CC[C@H](C#N)C1)[NH+]1CCCC1 ZINC000442723329 373069376 /nfs/dbraw/zinc/06/93/76/373069376.db2.gz WULRNNPMVCCWCE-XIRDDKMYSA-N 1 1 277.456 3.169 20 30 CGEDMO CCC(CC)[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)N1CCCC1 ZINC000442723329 373069383 /nfs/dbraw/zinc/06/93/83/373069383.db2.gz WULRNNPMVCCWCE-XIRDDKMYSA-N 1 1 277.456 3.169 20 30 CGEDMO Cc1noc(C)c1C(C)(C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000353542398 220147074 /nfs/dbraw/zinc/14/70/74/220147074.db2.gz KWHLSMDYOPCXHJ-UHFFFAOYSA-N 1 1 287.338 3.327 20 30 CGEDMO COc1cc(C[N@@H+](C)[C@@H]2CC[C@H](C)C2)ccc1C#N ZINC000443062629 373149478 /nfs/dbraw/zinc/14/94/78/373149478.db2.gz LYEQHCFHHOYMFJ-SWLSCSKDSA-N 1 1 258.365 3.187 20 30 CGEDMO C=CCNC(=O)C[N@H+]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000444804515 373276968 /nfs/dbraw/zinc/27/69/68/373276968.db2.gz POWHPCLAJOITJS-HNNXBMFYSA-N 1 1 292.810 3.169 20 30 CGEDMO C=CCNC(=O)C[N@@H+]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000444804515 373276976 /nfs/dbraw/zinc/27/69/76/373276976.db2.gz POWHPCLAJOITJS-HNNXBMFYSA-N 1 1 292.810 3.169 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+](C)Cc1cc(C)cc(C)c1 ZINC000444707871 373244422 /nfs/dbraw/zinc/24/44/22/373244422.db2.gz PVXBGDUZIIOWQQ-UHFFFAOYSA-N 1 1 288.435 3.160 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC000444707871 373244428 /nfs/dbraw/zinc/24/44/28/373244428.db2.gz PVXBGDUZIIOWQQ-UHFFFAOYSA-N 1 1 288.435 3.160 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](CC(F)(F)F)C2)cc1F ZINC000444708108 373246454 /nfs/dbraw/zinc/24/64/54/373246454.db2.gz YYRDLANOXKQCSM-LLVKDONJSA-N 1 1 286.272 3.472 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@@H](C)[C@H](C)O1 ZINC000446078956 373318734 /nfs/dbraw/zinc/31/87/34/373318734.db2.gz NPOPZXXXVZUPQC-ILXRZTDVSA-N 1 1 286.419 3.485 20 30 CGEDMO CC[C@@H](N[C@H](C)C[NH+](CC)CC)c1ccc(C#N)cc1 ZINC000447537432 373448000 /nfs/dbraw/zinc/44/80/00/373448000.db2.gz VWCZXXJQHIHBBM-RHSMWYFYSA-N 1 1 273.424 3.329 20 30 CGEDMO CC[C@H](N[C@@H](C)C[NH+](CC)CC)c1ccc(C#N)cc1 ZINC000447537434 373448101 /nfs/dbraw/zinc/44/81/01/373448101.db2.gz VWCZXXJQHIHBBM-YOEHRIQHSA-N 1 1 273.424 3.329 20 30 CGEDMO C=CCCCC(=O)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000175653946 373499355 /nfs/dbraw/zinc/49/93/55/373499355.db2.gz WCJZMQAHMMGMKI-MRXNPFEDSA-N 1 1 284.403 3.354 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]3CCC[C@H]32)c1F ZINC000300239222 373622246 /nfs/dbraw/zinc/62/22/46/373622246.db2.gz LZQBHISUYIIFNC-IUODEOHRSA-N 1 1 258.340 3.462 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CCCCC1 ZINC000448709183 373636464 /nfs/dbraw/zinc/63/64/64/373636464.db2.gz OOIFHGCSSXMQIJ-HZPDHXFCSA-N 1 1 290.451 3.256 20 30 CGEDMO COc1cc(C[N@H+]2C[C@@H](C)CC[C@H]2C)ccc1C#N ZINC000300115133 373620490 /nfs/dbraw/zinc/62/04/90/373620490.db2.gz CCATXZQKULHXFW-QWHCGFSZSA-N 1 1 258.365 3.187 20 30 CGEDMO CC[C@@H]1CCCC[N@H+]1CCNc1ccc(C#N)cc1 ZINC000301243132 373709201 /nfs/dbraw/zinc/70/92/01/373709201.db2.gz GSOPPXBDAXDFMG-MRXNPFEDSA-N 1 1 257.381 3.235 20 30 CGEDMO CC(C)C[C@]1(C)CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000449432751 373711981 /nfs/dbraw/zinc/71/19/81/373711981.db2.gz IZTUVNWUNCLRCM-AWEZNQCLSA-N 1 1 263.410 3.415 20 30 CGEDMO N#Cc1cccnc1NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000301156190 373677202 /nfs/dbraw/zinc/67/72/02/373677202.db2.gz BQQURJBWLAXIMM-QGZVFWFLSA-N 1 1 298.434 3.410 20 30 CGEDMO CCO[C@H]1C[C@H]([N@@H+](C)CCCC#N)C1(CC)CC ZINC000177405771 373682050 /nfs/dbraw/zinc/68/20/50/373682050.db2.gz BYQZMIACNQVEIT-KBPBESRZSA-N 1 1 252.402 3.206 20 30 CGEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2C#N)C12CCC2 ZINC000177675724 373699788 /nfs/dbraw/zinc/69/97/88/373699788.db2.gz OGPODSMFAHAOGC-IRXDYDNUSA-N 1 1 284.403 3.338 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](OC)[C@H](C)C2)cc1 ZINC000449491899 373782475 /nfs/dbraw/zinc/78/24/75/373782475.db2.gz BAFLLGXJKGUZGW-RHSMWYFYSA-N 1 1 275.392 3.108 20 30 CGEDMO COC[C@@H]1CCC[N@@H+](CC(C)(C)CCC#N)CC1 ZINC000449774872 373904080 /nfs/dbraw/zinc/90/40/80/373904080.db2.gz LHWYOIHILGWCNN-CQSZACIVSA-N 1 1 252.402 3.065 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC(C)(C)[C@H]3COC[C@H]32)cc1 ZINC000449781968 373910480 /nfs/dbraw/zinc/91/04/80/373910480.db2.gz JVNDFXRIEYXQJK-DLBZAZTESA-N 1 1 287.403 3.108 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)Cc1cc(F)ccc1O ZINC000180077890 373963985 /nfs/dbraw/zinc/96/39/85/373963985.db2.gz QNGDPAHTEOGSOP-UHFFFAOYSA-N 1 1 264.344 3.293 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1cc(F)ccc1O ZINC000180077890 373963992 /nfs/dbraw/zinc/96/39/92/373963992.db2.gz QNGDPAHTEOGSOP-UHFFFAOYSA-N 1 1 264.344 3.293 20 30 CGEDMO CO[C@H](Cc1ccccc1)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000450227234 374009045 /nfs/dbraw/zinc/00/90/45/374009045.db2.gz OWCRYSBMTCACQC-LJQANCHMSA-N 1 1 294.398 3.248 20 30 CGEDMO Cc1cccc2nc(C[NH2+][C@H](C)c3ccc(C#N)cc3)cn21 ZINC000180141416 373970353 /nfs/dbraw/zinc/97/03/53/373970353.db2.gz BRRPRYYREPIHFJ-CQSZACIVSA-N 1 1 290.370 3.365 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000303504121 374021582 /nfs/dbraw/zinc/02/15/82/374021582.db2.gz AHNKXFKFUNNWRT-GOSISDBHSA-N 1 1 288.435 3.009 20 30 CGEDMO C=CCC1(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CCCC1 ZINC000449989886 373979817 /nfs/dbraw/zinc/97/98/17/373979817.db2.gz VNRFDDLCMQIYNQ-HUUCEWRRSA-N 1 1 278.440 3.064 20 30 CGEDMO C[C@H](CCN[C@@H]1CCc2ccc(C#N)cc21)[NH+]1CCCCC1 ZINC000353675892 220247975 /nfs/dbraw/zinc/24/79/75/220247975.db2.gz INIZZYUASBCRPS-DNVCBOLYSA-N 1 1 297.446 3.400 20 30 CGEDMO C[C@H](NCC(C)(C)[NH+]1CCCCC1)c1cccc(C#N)c1 ZINC000181395857 374117614 /nfs/dbraw/zinc/11/76/14/374117614.db2.gz YZCGBZXZPRAKLO-HNNXBMFYSA-N 1 1 285.435 3.473 20 30 CGEDMO C[C@@H]1C[C@@H](Nc2cccc(Cl)c2C#N)C[N@H+]1C1CC1 ZINC000450380209 374091016 /nfs/dbraw/zinc/09/10/16/374091016.db2.gz RBOLORNIPXUDFW-GHMZBOCLSA-N 1 1 275.783 3.249 20 30 CGEDMO CC(C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000307783998 374152603 /nfs/dbraw/zinc/15/26/03/374152603.db2.gz XCXCGHHVVLSXEX-HOCLYGCPSA-N 1 1 299.418 3.253 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CCC1)c1ccc(F)c(F)c1 ZINC000450662196 374169655 /nfs/dbraw/zinc/16/96/55/374169655.db2.gz PEMCSOMMCASKFA-JTQLQIEISA-N 1 1 250.292 3.309 20 30 CGEDMO COc1ccc([C@@H](C)[NH2+]CC2(C#N)CCC2)cc1OC ZINC000450677604 374170931 /nfs/dbraw/zinc/17/09/31/374170931.db2.gz RQIPJDZHEUOTLH-GFCCVEGCSA-N 1 1 274.364 3.048 20 30 CGEDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000313703973 374304149 /nfs/dbraw/zinc/30/41/49/374304149.db2.gz AZQADTUKDVXPGF-DYVFJYSZSA-N 1 1 290.382 3.213 20 30 CGEDMO CC1=CC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000328770368 374380823 /nfs/dbraw/zinc/38/08/23/374380823.db2.gz ACPNHIOJJKGMBI-AWEZNQCLSA-N 1 1 275.396 3.210 20 30 CGEDMO CC1=CC[N@@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000328770368 374380827 /nfs/dbraw/zinc/38/08/27/374380827.db2.gz ACPNHIOJJKGMBI-AWEZNQCLSA-N 1 1 275.396 3.210 20 30 CGEDMO C[C@@H]([NH2+]Cc1cnc(C2CC2)o1)c1ccc(C#N)c(F)c1 ZINC000453347774 374438858 /nfs/dbraw/zinc/43/88/58/374438858.db2.gz IPVNWQOWWFNMCR-SNVBAGLBSA-N 1 1 285.322 3.414 20 30 CGEDMO Cc1cc([C@H]2CCC[N@@H+]2Cc2cc(C#N)cs2)on1 ZINC000334188523 206165746 /nfs/dbraw/zinc/16/57/46/206165746.db2.gz HNOLDYUOKVDREM-CYBMUJFWSA-N 1 1 273.361 3.253 20 30 CGEDMO Cc1cc([C@H]2CCC[N@H+]2Cc2cc(C#N)cs2)on1 ZINC000334188523 206165749 /nfs/dbraw/zinc/16/57/49/206165749.db2.gz HNOLDYUOKVDREM-CYBMUJFWSA-N 1 1 273.361 3.253 20 30 CGEDMO C[C@@H](c1ccc(C#N)c(F)c1)[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000334531896 374828513 /nfs/dbraw/zinc/82/85/13/374828513.db2.gz XZELXVRPFOWPDA-GUYCJALGSA-N 1 1 288.366 3.261 20 30 CGEDMO C=C(C)[C@H]([NH2+]C1CCN(C)CC1)c1ccc(F)c(F)c1 ZINC000186455174 374855467 /nfs/dbraw/zinc/85/54/67/374855467.db2.gz GHVIMEIEWSAEFC-INIZCTEOSA-N 1 1 280.362 3.266 20 30 CGEDMO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000187065189 374963340 /nfs/dbraw/zinc/96/33/40/374963340.db2.gz MXGLZIKBRSHCOQ-JKSUJKDBSA-N 1 1 292.810 3.337 20 30 CGEDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000187065189 374963345 /nfs/dbraw/zinc/96/33/45/374963345.db2.gz MXGLZIKBRSHCOQ-JKSUJKDBSA-N 1 1 292.810 3.337 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c(OC(F)F)c1 ZINC000464859813 374911681 /nfs/dbraw/zinc/91/16/81/374911681.db2.gz YUGULDQRIDAHQL-BETUJISGSA-N 1 1 292.329 3.392 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H](O)Cc1ccc2ccccc2c1 ZINC000470771521 374999587 /nfs/dbraw/zinc/99/95/87/374999587.db2.gz GBKBXUZNKJNWJQ-GOSISDBHSA-N 1 1 269.388 3.251 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1F)CC1(O)CCCCCC1 ZINC000187362828 375010674 /nfs/dbraw/zinc/01/06/74/375010674.db2.gz OMKRNLXKKHEFGN-UHFFFAOYSA-N 1 1 290.382 3.214 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](CC1CC1)C1CCCCC1 ZINC000472654636 375030209 /nfs/dbraw/zinc/03/02/09/375030209.db2.gz GAPGHAIHWDRUDQ-INIZCTEOSA-N 1 1 251.414 3.358 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)[C@H]1CCCc2cc(OC)ccc21 ZINC000472750815 375031983 /nfs/dbraw/zinc/03/19/83/375031983.db2.gz LHJAVHOOWHJNHZ-QAPCUYQASA-N 1 1 289.419 3.332 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000335042214 375087827 /nfs/dbraw/zinc/08/78/27/375087827.db2.gz XIZHQTRENHGHHL-YOEHRIQHSA-N 1 1 270.376 3.122 20 30 CGEDMO C=C(C)[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccc(F)c(F)c1 ZINC000187790386 375095359 /nfs/dbraw/zinc/09/53/59/375095359.db2.gz UBUSPSVAZKHVPK-RYUDHWBXSA-N 1 1 295.251 3.095 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1nn(CC)c2ccccc12 ZINC000473143103 375045799 /nfs/dbraw/zinc/04/57/99/375045799.db2.gz KYIRDDDVPROKDG-UHFFFAOYSA-N 1 1 257.381 3.454 20 30 CGEDMO C=C(C)C[N@H+](C)CC1(COc2cccc(COC)c2)CC1 ZINC000481289936 375164157 /nfs/dbraw/zinc/16/41/57/375164157.db2.gz VOIGODROMQEBTP-UHFFFAOYSA-N 1 1 289.419 3.500 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000483342070 375177177 /nfs/dbraw/zinc/17/71/77/375177177.db2.gz BVKAHZPSCAEOOK-DOTOQJQBSA-N 1 1 281.440 3.391 20 30 CGEDMO C(#Cc1ccccc1)C[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000484062996 375184863 /nfs/dbraw/zinc/18/48/63/375184863.db2.gz FBKGVBXMDMGEFS-LJQANCHMSA-N 1 1 291.394 3.439 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000335092366 375125107 /nfs/dbraw/zinc/12/51/07/375125107.db2.gz AISUFSULWWOAQE-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](O)C23CCCC3)c(Cl)c1 ZINC000335226599 375244631 /nfs/dbraw/zinc/24/46/31/375244631.db2.gz BOMXQSFVXZXAOK-OAHLLOKOSA-N 1 1 290.794 3.091 20 30 CGEDMO COC[C@@H]([NH2+]CC#Cc1ccccc1)c1ccc(F)cc1 ZINC000484070889 375187578 /nfs/dbraw/zinc/18/75/78/375187578.db2.gz GFPBNGXJOZQZQE-GOSISDBHSA-N 1 1 283.346 3.155 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000335235791 375253283 /nfs/dbraw/zinc/25/32/83/375253283.db2.gz AROGVJVCDMCUKK-MRXNPFEDSA-N 1 1 290.794 3.214 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000335235791 375253286 /nfs/dbraw/zinc/25/32/86/375253286.db2.gz AROGVJVCDMCUKK-MRXNPFEDSA-N 1 1 290.794 3.214 20 30 CGEDMO C[C@H]1[N@@H+](Cc2ccccc2C(C)(C)C#N)CCOC1(C)C ZINC000486792956 375198228 /nfs/dbraw/zinc/19/82/28/375198228.db2.gz VPHXDJJBSSKNLM-CQSZACIVSA-N 1 1 286.419 3.487 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](c3cccnc3)C2)c1 ZINC000335422476 375280747 /nfs/dbraw/zinc/28/07/47/375280747.db2.gz WFPOZVFLAMRFMX-HNNXBMFYSA-N 1 1 281.334 3.082 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1cc(-c2ccc(C)cc2)no1 ZINC000491326274 375325847 /nfs/dbraw/zinc/32/58/47/375325847.db2.gz LOQXEJVCMLYJCB-ZDUSSCGKSA-N 1 1 254.333 3.104 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H]1CCC[C@H]1C ZINC000487971989 375290368 /nfs/dbraw/zinc/29/03/68/375290368.db2.gz LHGIBWRVQTWFNG-DYVFJYSZSA-N 1 1 290.382 3.334 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1cc(-c2ccc(C)cc2)no1 ZINC000491326274 375325855 /nfs/dbraw/zinc/32/58/55/375325855.db2.gz LOQXEJVCMLYJCB-ZDUSSCGKSA-N 1 1 254.333 3.104 20 30 CGEDMO C=CC[N@@H+]1CC2(C[C@H]1C)CCN(C(=O)OC(C)(C)C)CC2 ZINC000496379992 375531655 /nfs/dbraw/zinc/53/16/55/375531655.db2.gz ISWYUNYIKYAQDP-CQSZACIVSA-N 1 1 294.439 3.284 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000493980597 375484588 /nfs/dbraw/zinc/48/45/88/375484588.db2.gz CGEHPBHRJFYSAM-KBPBESRZSA-N 1 1 282.428 3.188 20 30 CGEDMO C[C@H]1C[N@@H+](CCCCC#N)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000494380085 375488308 /nfs/dbraw/zinc/48/83/08/375488308.db2.gz DUBRQIKSOXTHKX-KBPBESRZSA-N 1 1 295.427 3.010 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)C[C@@H]1CCSC1 ZINC000494980478 375496171 /nfs/dbraw/zinc/49/61/71/375496171.db2.gz PWNJHUIMLRQVSJ-INIZCTEOSA-N 1 1 261.434 3.470 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000495867152 375502194 /nfs/dbraw/zinc/50/21/94/375502194.db2.gz QHUWOSWEUIERIY-KBPBESRZSA-N 1 1 282.428 3.140 20 30 CGEDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000335881585 375509134 /nfs/dbraw/zinc/50/91/34/375509134.db2.gz PCEBSZWCLCICHA-GWCFXTLKSA-N 1 1 268.282 3.331 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000496197801 375522337 /nfs/dbraw/zinc/52/23/37/375522337.db2.gz QIVIVHDALXWIRQ-KGLIPLIRSA-N 1 1 282.428 3.330 20 30 CGEDMO CC(C)c1ncc(C[NH+]2CCC(C)(C#N)CC2)s1 ZINC000335897953 375523078 /nfs/dbraw/zinc/52/30/78/375523078.db2.gz IIHONUZSXLBMTR-UHFFFAOYSA-N 1 1 263.410 3.392 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000496771319 375554929 /nfs/dbraw/zinc/55/49/29/375554929.db2.gz CHSPWYGWDFOCPB-UONOGXRCSA-N 1 1 282.428 3.330 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@@](C)(c3ccccc3)C2)cc1C#N ZINC000191367553 375619033 /nfs/dbraw/zinc/61/90/33/375619033.db2.gz LRMHRTJQRVMDIC-LJQANCHMSA-N 1 1 293.414 3.450 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CC[C@@](F)(c2ccccc2C)C1 ZINC000502874737 375648789 /nfs/dbraw/zinc/64/87/89/375648789.db2.gz IFWQSHIHBQSWGU-WBVHZDCISA-N 1 1 277.383 3.193 20 30 CGEDMO C=CC[N@@H+](CCOC)Cc1csc(Br)c1 ZINC000191757038 375659815 /nfs/dbraw/zinc/65/98/15/375659815.db2.gz MCVUVMMZAVLTFX-UHFFFAOYSA-N 1 1 290.226 3.145 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1csc(Br)c1 ZINC000191757038 375659820 /nfs/dbraw/zinc/65/98/20/375659820.db2.gz MCVUVMMZAVLTFX-UHFFFAOYSA-N 1 1 290.226 3.145 20 30 CGEDMO COc1ccccc1CCC[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000505568561 375660108 /nfs/dbraw/zinc/66/01/08/375660108.db2.gz LDRKTDOZUVCKIT-AWEZNQCLSA-N 1 1 272.392 3.252 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)N[C@@H](C)c1ccc(CC)cc1 ZINC000508805530 375762438 /nfs/dbraw/zinc/76/24/38/375762438.db2.gz HSVYSCJLGCEMHG-HNNXBMFYSA-N 1 1 288.435 3.324 20 30 CGEDMO C[C@H]1C[C@@H](c2cccnc2)[N@H+](CC2(C#N)CCC2)C1 ZINC000336262002 375765742 /nfs/dbraw/zinc/76/57/42/375765742.db2.gz YZQMIBYWSRFUSI-ZFWWWQNUSA-N 1 1 255.365 3.158 20 30 CGEDMO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](CC2(C#N)CCC2)C1 ZINC000336262002 375765748 /nfs/dbraw/zinc/76/57/48/375765748.db2.gz YZQMIBYWSRFUSI-ZFWWWQNUSA-N 1 1 255.365 3.158 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CCCCC1 ZINC000336298567 375774372 /nfs/dbraw/zinc/77/43/72/375774372.db2.gz DSCJPAZRABCDQS-KRWDZBQOSA-N 1 1 290.451 3.067 20 30 CGEDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000512463181 375795909 /nfs/dbraw/zinc/79/59/09/375795909.db2.gz OZPNVIZYENDREM-CRAIPNDOSA-N 1 1 289.394 3.193 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000511640276 375791153 /nfs/dbraw/zinc/79/11/53/375791153.db2.gz LPVJOGKMDPTBCS-AVGNSLFASA-N 1 1 279.346 3.224 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000511627377 375791359 /nfs/dbraw/zinc/79/13/59/375791359.db2.gz NDTSNRFTALUBGG-QWHCGFSZSA-N 1 1 279.346 3.226 20 30 CGEDMO CC(C)(C)[N@H+]1CCCN(c2c(F)cc(C#N)cc2F)CC1 ZINC000522107123 375876802 /nfs/dbraw/zinc/87/68/02/375876802.db2.gz MPKYGVNJBOUDIW-UHFFFAOYSA-N 1 1 293.361 3.147 20 30 CGEDMO C=CC[N@H+](CCC(C)(C)C(=O)OC)Cc1ccccc1F ZINC000526969986 375890757 /nfs/dbraw/zinc/89/07/57/375890757.db2.gz HYKLKFORSZWRCY-UHFFFAOYSA-N 1 1 293.382 3.403 20 30 CGEDMO C[C@@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CC2)CC[C@H]1c1ccccc1 ZINC000528393285 375899629 /nfs/dbraw/zinc/89/96/29/375899629.db2.gz VVCDXOSQEIFOGV-BPQIPLTHSA-N 1 1 298.430 3.167 20 30 CGEDMO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528385855 375900683 /nfs/dbraw/zinc/90/06/83/375900683.db2.gz DRVZVYJGZJJNBU-ZACQAIPSSA-N 1 1 298.430 3.228 20 30 CGEDMO Cc1ccc([C@@H]2CC[N@@H+](C[C@@H](O)CC3(C#N)CC3)C2)c(C)c1 ZINC000528485124 375903826 /nfs/dbraw/zinc/90/38/26/375903826.db2.gz KBLCKUSTFNWSJX-SJORKVTESA-N 1 1 298.430 3.148 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cc(CO)ccc1F ZINC000528527580 375904583 /nfs/dbraw/zinc/90/45/83/375904583.db2.gz UKFIHQQARYXKMQ-CYBMUJFWSA-N 1 1 298.361 3.383 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cc(CO)ccc1F ZINC000528527580 375904597 /nfs/dbraw/zinc/90/45/97/375904597.db2.gz UKFIHQQARYXKMQ-CYBMUJFWSA-N 1 1 298.361 3.383 20 30 CGEDMO C[N@H+](CC#Cc1ccc(F)cc1)Cc1cccs1 ZINC000533461380 375955239 /nfs/dbraw/zinc/95/52/39/375955239.db2.gz MNGRERGANMPXRM-UHFFFAOYSA-N 1 1 259.349 3.371 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(F)cc1)Cc1cccs1 ZINC000533461380 375955247 /nfs/dbraw/zinc/95/52/47/375955247.db2.gz MNGRERGANMPXRM-UHFFFAOYSA-N 1 1 259.349 3.371 20 30 CGEDMO CC#CC[N@@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000533506706 375955290 /nfs/dbraw/zinc/95/52/90/375955290.db2.gz ZCWLEVJQTWUNLL-UHFFFAOYSA-N 1 1 293.410 3.484 20 30 CGEDMO C=C(C)C[NH+]1CCC(NCc2ccc(C)c(OC)c2)CC1 ZINC000194299603 375980600 /nfs/dbraw/zinc/98/06/00/375980600.db2.gz IPBUMWOJSGZSCR-UHFFFAOYSA-N 1 1 288.435 3.134 20 30 CGEDMO CC[N@@H+](CCOC(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000193759803 375918737 /nfs/dbraw/zinc/91/87/37/375918737.db2.gz BSGALANPYOJEOL-AWEZNQCLSA-N 1 1 260.381 3.366 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)OC ZINC000530733783 375943106 /nfs/dbraw/zinc/94/31/06/375943106.db2.gz YUTGVLJDGNZAGJ-LSDHHAIUSA-N 1 1 265.397 3.006 20 30 CGEDMO C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)O1 ZINC000336845046 376007687 /nfs/dbraw/zinc/00/76/87/376007687.db2.gz NMVVRLWWHPTEFL-VDHUWJSZSA-N 1 1 284.403 3.326 20 30 CGEDMO C[C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)O1 ZINC000336845046 376007693 /nfs/dbraw/zinc/00/76/93/376007693.db2.gz NMVVRLWWHPTEFL-VDHUWJSZSA-N 1 1 284.403 3.326 20 30 CGEDMO N#CC1(CCC[N@H+]2CCc3sccc3C2)CCOCC1 ZINC000337124509 376085203 /nfs/dbraw/zinc/08/52/03/376085203.db2.gz DBHRGJUZWFUFTB-UHFFFAOYSA-N 1 1 290.432 3.207 20 30 CGEDMO CC[N@@H+](CCCC1(C#N)CCOCC1)CC(C)C ZINC000337123048 376085429 /nfs/dbraw/zinc/08/54/29/376085429.db2.gz BNOKDQTYQSBPMF-UHFFFAOYSA-N 1 1 252.402 3.065 20 30 CGEDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000195196288 376086532 /nfs/dbraw/zinc/08/65/32/376086532.db2.gz ATFLNXSCEDWKFV-KRWDZBQOSA-N 1 1 294.439 3.228 20 30 CGEDMO C=CCN1CC[C@@H]([N@H+](Cc2ccccc2)[C@@H](C)C2CC2)C1=O ZINC000337136177 376092224 /nfs/dbraw/zinc/09/22/24/376092224.db2.gz MWUNFURTWVIZGO-MAUKXSAKSA-N 1 1 298.430 3.074 20 30 CGEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCC(C(C)(C)C)CC2)C1=O ZINC000337139818 376094535 /nfs/dbraw/zinc/09/45/35/376094535.db2.gz QLZZQKYCVHJACE-UYSNPLJNSA-N 1 1 292.467 3.310 20 30 CGEDMO COC(=O)c1cccc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c1C#N ZINC000535962680 376075118 /nfs/dbraw/zinc/07/51/18/376075118.db2.gz HLOKFYTUFBPIOZ-DYVFJYSZSA-N 1 1 298.386 3.109 20 30 CGEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]1c1ccc(C(C)C)cc1 ZINC000536180194 376082184 /nfs/dbraw/zinc/08/21/84/376082184.db2.gz NTRMBQIBQKBWJN-KRWDZBQOSA-N 1 1 286.419 3.249 20 30 CGEDMO CC[C@@H]1[C@H](C)CC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000337214900 376143608 /nfs/dbraw/zinc/14/36/08/376143608.db2.gz XWSHJPGCPYYIEA-HUUCEWRRSA-N 1 1 264.413 3.207 20 30 CGEDMO C[C@@H]1CC[C@@H]([N@@H+](C)CCCC2(C#N)CCOCC2)C1 ZINC000337258020 376170873 /nfs/dbraw/zinc/17/08/73/376170873.db2.gz USTDMERFSBWATP-HUUCEWRRSA-N 1 1 264.413 3.207 20 30 CGEDMO C=CCCc1ccccc1NC(=O)N1CC[NH+](C2CC2)CC1 ZINC000337613954 376232845 /nfs/dbraw/zinc/23/28/45/376232845.db2.gz XNONJCUVKFKZBI-UHFFFAOYSA-N 1 1 299.418 3.117 20 30 CGEDMO Cc1nc2ccc(NC(=O)c3cccc(C#N)c3C)cc2[nH]1 ZINC000338166439 376272468 /nfs/dbraw/zinc/27/24/68/376272468.db2.gz PRSWASWQODQFRX-UHFFFAOYSA-N 1 1 290.326 3.304 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)cc1 ZINC000225516372 376315202 /nfs/dbraw/zinc/31/52/02/376315202.db2.gz JMCNBXQJWLOGBB-ZWKOTPCHSA-N 1 1 296.345 3.005 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000338562462 376430044 /nfs/dbraw/zinc/43/00/44/376430044.db2.gz CKWFLTBPWGKUSX-JKSUJKDBSA-N 1 1 258.409 3.157 20 30 CGEDMO C=CCCN1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000338562462 376430051 /nfs/dbraw/zinc/43/00/51/376430051.db2.gz CKWFLTBPWGKUSX-JKSUJKDBSA-N 1 1 258.409 3.157 20 30 CGEDMO C=CCCN1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000338562462 376430054 /nfs/dbraw/zinc/43/00/54/376430054.db2.gz CKWFLTBPWGKUSX-JKSUJKDBSA-N 1 1 258.409 3.157 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(F)cc1)C[C@H]1CC=CCC1 ZINC000541316030 376436161 /nfs/dbraw/zinc/43/61/61/376436161.db2.gz ZGQXCJHDWBOUPV-INIZCTEOSA-N 1 1 257.352 3.465 20 30 CGEDMO COCC[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CC[C@@H](C)C1 ZINC000338938970 376586252 /nfs/dbraw/zinc/58/62/52/376586252.db2.gz VJUGBNCDPTVZOC-RHSMWYFYSA-N 1 1 272.392 3.195 20 30 CGEDMO CC[C@H]1CO[C@H](C)C[N@H+]1CCCCC(C)(C)C#N ZINC000234087338 376610059 /nfs/dbraw/zinc/61/00/59/376610059.db2.gz MTPQIBIJZWNBHG-KGLIPLIRSA-N 1 1 252.402 3.206 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCNc2cccc(Cl)c2C#N)C1 ZINC000338991663 376616315 /nfs/dbraw/zinc/61/63/15/376616315.db2.gz AXGHYFOFFSATPO-GFCCVEGCSA-N 1 1 277.799 3.355 20 30 CGEDMO COc1cc(C[N@@H+](C)Cc2cccs2)ccc1C#N ZINC000234930958 376625219 /nfs/dbraw/zinc/62/52/19/376625219.db2.gz JXISSPYBQXUMHP-UHFFFAOYSA-N 1 1 272.373 3.260 20 30 CGEDMO COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C)C2)ccc1C#N ZINC000234994807 376627318 /nfs/dbraw/zinc/62/73/18/376627318.db2.gz IEVXEAVPAIHJHO-OLZOCXBDSA-N 1 1 258.365 3.045 20 30 CGEDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000235546389 376643595 /nfs/dbraw/zinc/64/35/95/376643595.db2.gz RCXDJZNIASELMM-XJKSGUPXSA-N 1 1 290.382 3.213 20 30 CGEDMO Cc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000543761860 376674657 /nfs/dbraw/zinc/67/46/57/376674657.db2.gz AJQFTGLIJXBCRZ-FZKQIMNGSA-N 1 1 298.361 3.390 20 30 CGEDMO N#Cc1cccc(OCC[N@H+]2CC[C@H](CC3CC3)C2)c1 ZINC000339671977 376798839 /nfs/dbraw/zinc/79/88/39/376798839.db2.gz KOVXDKPILHJPRE-MRXNPFEDSA-N 1 1 270.376 3.059 20 30 CGEDMO Cc1cc(C[N@H+]2CCCO[C@@H](C(C)C)C2)ccc1C#N ZINC000339835208 376868349 /nfs/dbraw/zinc/86/83/49/376868349.db2.gz UHBHVRJHOBXTLC-QGZVFWFLSA-N 1 1 272.392 3.114 20 30 CGEDMO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@@H](C)c1cccc(C#N)c1 ZINC000245849097 376918946 /nfs/dbraw/zinc/91/89/46/376918946.db2.gz GAGRWRUSQSDQHP-PMPSAXMXSA-N 1 1 285.435 3.329 20 30 CGEDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)N[C@@H](C)c1cccc(C#N)c1 ZINC000245849097 376918958 /nfs/dbraw/zinc/91/89/58/376918958.db2.gz GAGRWRUSQSDQHP-PMPSAXMXSA-N 1 1 285.435 3.329 20 30 CGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](CC2CC2)C1 ZINC000557052645 376919972 /nfs/dbraw/zinc/91/99/72/376919972.db2.gz ZZGQNJOLFGDEKY-DZGCQCFKSA-N 1 1 297.402 3.007 20 30 CGEDMO CC[C@H](C)C[N@H+](CC)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000245930849 376935983 /nfs/dbraw/zinc/93/59/83/376935983.db2.gz YLRNDCLELVPQOH-XJKSGUPXSA-N 1 1 288.391 3.140 20 30 CGEDMO CC[C@H](C)C[N@@H+](CC)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000245930849 376935989 /nfs/dbraw/zinc/93/59/89/376935989.db2.gz YLRNDCLELVPQOH-XJKSGUPXSA-N 1 1 288.391 3.140 20 30 CGEDMO C[C@@H](NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000245965368 376944977 /nfs/dbraw/zinc/94/49/77/376944977.db2.gz YWQIBVQDTGZJJK-BZUAXINKSA-N 1 1 285.435 3.329 20 30 CGEDMO C[C@@H](NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000245965368 376944978 /nfs/dbraw/zinc/94/49/78/376944978.db2.gz YWQIBVQDTGZJJK-BZUAXINKSA-N 1 1 285.435 3.329 20 30 CGEDMO C[C@@H]1CC[N@@H+](CCCOc2cccc(C#N)c2)[C@H]1C ZINC000246028513 376954967 /nfs/dbraw/zinc/95/49/67/376954967.db2.gz NGLZZHDJYHBELE-KGLIPLIRSA-N 1 1 258.365 3.057 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)c1 ZINC000246202079 376987050 /nfs/dbraw/zinc/98/70/50/376987050.db2.gz XCSYSJSTDRIBPL-HZPDHXFCSA-N 1 1 272.417 3.418 20 30 CGEDMO N#Cc1ccnc(NC[C@@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000561318712 377219807 /nfs/dbraw/zinc/21/98/07/377219807.db2.gz SNZYJWFQPJVEMH-INIZCTEOSA-N 1 1 284.407 3.162 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000247578296 377225810 /nfs/dbraw/zinc/22/58/10/377225810.db2.gz SMNFPFSTRIYNHS-BLLLJJGKSA-N 1 1 258.340 3.462 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)[C@H](CC)c1ccccc1OC ZINC000561955142 377253966 /nfs/dbraw/zinc/25/39/66/377253966.db2.gz JKPBDGZAPPNVEG-GDBMZVCRSA-N 1 1 277.408 3.405 20 30 CGEDMO CCCO[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2F)CC1 ZINC000340918051 377319146 /nfs/dbraw/zinc/31/91/46/377319146.db2.gz LDDBYKGMWPJGIV-MRXNPFEDSA-N 1 1 290.382 3.478 20 30 CGEDMO CC#CCC[N@@H+]1C[C@@H](c2ccccc2C)OC[C@H]1C ZINC000248387944 377304320 /nfs/dbraw/zinc/30/43/20/377304320.db2.gz CLPHPUKCJCBHDE-WBVHZDCISA-N 1 1 257.377 3.170 20 30 CGEDMO CC#CCC[N@H+]1C[C@@H](c2ccccc2C)OC[C@H]1C ZINC000248387944 377304323 /nfs/dbraw/zinc/30/43/23/377304323.db2.gz CLPHPUKCJCBHDE-WBVHZDCISA-N 1 1 257.377 3.170 20 30 CGEDMO CC[N@@H+](CCCc1cccc(OC)c1)C[C@@H](C)C#N ZINC000562808503 377363785 /nfs/dbraw/zinc/36/37/85/377363785.db2.gz UTECRSOWYYYPBM-AWEZNQCLSA-N 1 1 260.381 3.109 20 30 CGEDMO CCC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000563215066 377422275 /nfs/dbraw/zinc/42/22/75/377422275.db2.gz BLSXWPOAJSDSGB-CYBMUJFWSA-N 1 1 287.363 3.479 20 30 CGEDMO CC[C@@H]1C[N@@H+]([C@H](C)c2cccc(C#N)c2)C[C@@H](C)O1 ZINC000249472123 377505636 /nfs/dbraw/zinc/50/56/36/377505636.db2.gz SHUIWLGHMIAEBO-XJKCOSOUSA-N 1 1 258.365 3.119 20 30 CGEDMO CC[C@@H]1C[N@H+]([C@H](C)c2cccc(C#N)c2)C[C@@H](C)O1 ZINC000249472123 377505647 /nfs/dbraw/zinc/50/56/47/377505647.db2.gz SHUIWLGHMIAEBO-XJKCOSOUSA-N 1 1 258.365 3.119 20 30 CGEDMO C[C@@H]1C[C@H](Nc2ccc(C#N)c(C(F)(F)F)c2)CC[N@H+]1C ZINC000090795362 249030087 /nfs/dbraw/zinc/03/00/87/249030087.db2.gz UOSMPUCBQUAKGW-ZWNOBZJWSA-N 1 1 297.324 3.472 20 30 CGEDMO C[C@H]1C[C@@H](Nc2ccc(C#N)cc2C(F)(F)F)CC[N@H+]1C ZINC000090795095 249030094 /nfs/dbraw/zinc/03/00/94/249030094.db2.gz LIIYPNMTEYFOKD-JQWIXIFHSA-N 1 1 297.324 3.472 20 30 CGEDMO CC[C@H](C)C[N@@H+](CC)CCOc1cccc(C#N)c1 ZINC000093250937 249036858 /nfs/dbraw/zinc/03/68/58/249036858.db2.gz OURGRMLDVPOIME-AWEZNQCLSA-N 1 1 260.381 3.305 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCC[C@@H]1O ZINC000517274174 249262560 /nfs/dbraw/zinc/26/25/60/249262560.db2.gz ZLKZMXLPJLKZGS-ROUUACIJSA-N 1 1 286.419 3.321 20 30 CGEDMO C=CC[C@H](CC)NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000341657042 377610613 /nfs/dbraw/zinc/61/06/13/377610613.db2.gz VDMOCNPXLCLEGD-DLBZAZTESA-N 1 1 286.419 3.122 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc2c(c(Br)c1)OCO2 ZINC000342764200 377776692 /nfs/dbraw/zinc/77/66/92/377776692.db2.gz JIZVQIQPDLFECF-UHFFFAOYSA-N 1 1 298.180 3.186 20 30 CGEDMO C=CCC[N@H+](C)Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000342743044 377768599 /nfs/dbraw/zinc/76/85/99/377768599.db2.gz XLFMGAVOAOLPIK-UHFFFAOYSA-N 1 1 277.755 3.398 20 30 CGEDMO Cc1cn2cc(Nc3ccc(C#N)cc3[N+](=O)[O-])ccc2[nH+]1 ZINC000342799304 377803516 /nfs/dbraw/zinc/80/35/16/377803516.db2.gz KFGCWEPBZXTRDC-UHFFFAOYSA-N 1 1 293.286 3.166 20 30 CGEDMO C=CCN(C(=O)Cn1cc[nH+]c1C(C)C)c1ccccc1 ZINC000182850176 542225912 /nfs/dbraw/zinc/22/59/12/542225912.db2.gz DNGGJBMAJZKUPT-UHFFFAOYSA-N 1 1 283.375 3.226 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C)o1)Cc1ccc(CC#N)cc1 ZINC000343535242 378011479 /nfs/dbraw/zinc/01/14/79/378011479.db2.gz JBHWUMYAODRSFY-UHFFFAOYSA-N 1 1 298.386 3.303 20 30 CGEDMO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(CC#N)cc2)C[C@@H]1C ZINC000343539801 378012993 /nfs/dbraw/zinc/01/29/93/378012993.db2.gz QCQXFUCKVZCCIO-YJBOKZPZSA-N 1 1 285.435 3.057 20 30 CGEDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(CC#N)cc2)C[C@@H]1C ZINC000343539801 378013001 /nfs/dbraw/zinc/01/30/01/378013001.db2.gz QCQXFUCKVZCCIO-YJBOKZPZSA-N 1 1 285.435 3.057 20 30 CGEDMO CCN1CC[C@H]([N@H+](C)Cc2ccc(CC#N)cc2)C[C@@H]1C ZINC000343539801 378013011 /nfs/dbraw/zinc/01/30/11/378013011.db2.gz QCQXFUCKVZCCIO-YJBOKZPZSA-N 1 1 285.435 3.057 20 30 CGEDMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(CC#N)cc2)C[C@@H]1C ZINC000343539801 378013020 /nfs/dbraw/zinc/01/30/20/378013020.db2.gz QCQXFUCKVZCCIO-YJBOKZPZSA-N 1 1 285.435 3.057 20 30 CGEDMO CC(C)(C#N)CC[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000266021617 378013862 /nfs/dbraw/zinc/01/38/62/378013862.db2.gz PVTNHUZPEWULEB-QGZVFWFLSA-N 1 1 286.419 3.298 20 30 CGEDMO CC(C)C[N@@H+](CCCC#N)C[C@@H](O)c1ccc(F)cc1 ZINC000266007135 378013972 /nfs/dbraw/zinc/01/39/72/378013972.db2.gz QKQGLIMDXDASBW-MRXNPFEDSA-N 1 1 278.371 3.121 20 30 CGEDMO CS[C@H]1CCCC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000343419350 377975275 /nfs/dbraw/zinc/97/52/75/377975275.db2.gz QCSGXLJCXGZYSV-INIZCTEOSA-N 1 1 274.433 3.470 20 30 CGEDMO C=CCC[N@H+](C)Cc1cnc2ccc(Br)cn12 ZINC000343440835 377979714 /nfs/dbraw/zinc/97/97/14/377979714.db2.gz JZTIDCCGEJSEEB-UHFFFAOYSA-N 1 1 294.196 3.105 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000268303271 378052771 /nfs/dbraw/zinc/05/27/71/378052771.db2.gz VKYJYSRFSQOLBN-CABCVRRESA-N 1 1 290.407 3.497 20 30 CGEDMO C=CC[N@H+](CCCCC(=O)OC(C)(C)C)C1CC1 ZINC000343779403 378090476 /nfs/dbraw/zinc/09/04/76/378090476.db2.gz ZEZTZZUJKPDTDZ-UHFFFAOYSA-N 1 1 253.386 3.149 20 30 CGEDMO C=CCCCC[N@H+](CCNC(C)=O)Cc1ccc(C)s1 ZINC000580036294 378218197 /nfs/dbraw/zinc/21/81/97/378218197.db2.gz ZFPKHDGUWYEHEM-UHFFFAOYSA-N 1 1 294.464 3.351 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](Cc3ccccc3)C2)nc1 ZINC000580325244 378241274 /nfs/dbraw/zinc/24/12/74/378241274.db2.gz MMLUXMDIESBASM-MRXNPFEDSA-N 1 1 277.371 3.018 20 30 CGEDMO CCC[C@H](C)[N@@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000582340772 378305112 /nfs/dbraw/zinc/30/51/12/378305112.db2.gz WTKBESJZNUAIKE-YOEHRIQHSA-N 1 1 299.418 3.174 20 30 CGEDMO CC(C)(C)C1=CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000270369232 378341393 /nfs/dbraw/zinc/34/13/93/378341393.db2.gz MKQLSONCJYKQSI-KRWDZBQOSA-N 1 1 284.403 3.270 20 30 CGEDMO CCO[C@H]1C[C@@H]([N@@H+](C)CCC(C)(C)C#N)C1(C)C ZINC000345709977 378350724 /nfs/dbraw/zinc/35/07/24/378350724.db2.gz CGQBMEOJWRGURM-OLZOCXBDSA-N 1 1 252.402 3.062 20 30 CGEDMO CC[N@@H+](CCN[C@@H](C)c1ccc(C#N)c(F)c1)C(C)C ZINC000346146529 378479787 /nfs/dbraw/zinc/47/97/87/378479787.db2.gz BXMGSMKZONLWEK-ZDUSSCGKSA-N 1 1 277.387 3.078 20 30 CGEDMO CCN(CC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)C(C)C ZINC000346146529 378479793 /nfs/dbraw/zinc/47/97/93/378479793.db2.gz BXMGSMKZONLWEK-ZDUSSCGKSA-N 1 1 277.387 3.078 20 30 CGEDMO CC[N@@H+]1CCCC[C@H]1CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271949358 378527065 /nfs/dbraw/zinc/52/70/65/378527065.db2.gz OFHXEOHWCSTXRB-CJNGLKHVSA-N 1 1 289.398 3.222 20 30 CGEDMO CC[N@H+]1CCCC[C@H]1CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271949358 378527077 /nfs/dbraw/zinc/52/70/77/378527077.db2.gz OFHXEOHWCSTXRB-CJNGLKHVSA-N 1 1 289.398 3.222 20 30 CGEDMO Cc1cc(Br)cc(C[N@H+](C)C[C@@H](C)C#N)c1O ZINC000271737465 378503248 /nfs/dbraw/zinc/50/32/48/378503248.db2.gz PAXNLBMZDSENHC-VIFPVBQESA-N 1 1 297.196 3.055 20 30 CGEDMO C[C@H]([NH2+]C1CCN(C2CCC2)CC1)c1ccc(C#N)cc1 ZINC000271857187 378510451 /nfs/dbraw/zinc/51/04/51/378510451.db2.gz JQVLETGCPFNXBZ-AWEZNQCLSA-N 1 1 283.419 3.226 20 30 CGEDMO CC(C)N1CCC([NH2+][C@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000271921855 378517502 /nfs/dbraw/zinc/51/75/02/378517502.db2.gz FHFDAWQJOORODQ-CYBMUJFWSA-N 1 1 289.398 3.221 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)C[C@H](O)c1ccccc1F ZINC000272333787 378613991 /nfs/dbraw/zinc/61/39/91/378613991.db2.gz XBPKJTZCZVBRML-KRWDZBQOSA-N 1 1 289.350 3.183 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCN(c2ccccc2)C1 ZINC000638098845 378698432 /nfs/dbraw/zinc/69/84/32/378698432.db2.gz PSZGFWKICUOKIO-MRXNPFEDSA-N 1 1 258.409 3.411 20 30 CGEDMO C=CC[N@H+](Cc1c(C)nn(C(C)(C)C)c1C)C1CC1 ZINC000273467624 378748705 /nfs/dbraw/zinc/74/87/05/378748705.db2.gz IRDZCEYRUVKMFD-UHFFFAOYSA-N 1 1 261.413 3.405 20 30 CGEDMO C=CCOCCC[N@@H+]1C[C@H](c2ccccc2)OCC1(C)C ZINC000348050299 378767612 /nfs/dbraw/zinc/76/76/12/378767612.db2.gz MAASAKRBBMGUMI-QGZVFWFLSA-N 1 1 289.419 3.431 20 30 CGEDMO C=CCOCCC[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000348058859 378771182 /nfs/dbraw/zinc/77/11/82/378771182.db2.gz QHQFCSYERFZQDA-UHFFFAOYSA-N 1 1 270.376 3.119 20 30 CGEDMO C=CCOCCC[N@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000348058859 378771185 /nfs/dbraw/zinc/77/11/85/378771185.db2.gz QHQFCSYERFZQDA-UHFFFAOYSA-N 1 1 270.376 3.119 20 30 CGEDMO CC#CCC[N@@H+](C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000274202168 378792256 /nfs/dbraw/zinc/79/22/56/378792256.db2.gz UJAQYCUCJCXMFH-IAGOWNOFSA-N 1 1 275.367 3.391 20 30 CGEDMO CC(C)(C#N)C[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000348219686 378845491 /nfs/dbraw/zinc/84/54/91/378845491.db2.gz LVBPIJDSASJVMD-ARJAWSKDSA-N 1 1 250.292 3.117 20 30 CGEDMO C[C@@H](NCC(C)(C)C#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348223540 378847390 /nfs/dbraw/zinc/84/73/90/378847390.db2.gz TXMQGWXTLQRRHY-WBVHZDCISA-N 1 1 285.435 3.036 20 30 CGEDMO C=CC[C@H](C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000275058760 378932152 /nfs/dbraw/zinc/93/21/52/378932152.db2.gz GZQXDSKUCSRLKM-KSZLIROESA-N 1 1 298.430 3.089 20 30 CGEDMO C=C(C)C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000274880002 378913272 /nfs/dbraw/zinc/91/32/72/378913272.db2.gz ZNMLZBMUCSYLGL-RDJZCZTQSA-N 1 1 258.409 3.063 20 30 CGEDMO COC1(C)CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000274881081 378913317 /nfs/dbraw/zinc/91/33/17/378913317.db2.gz ZQQZTPINRDFFFV-UHFFFAOYSA-N 1 1 278.783 3.213 20 30 CGEDMO C=C(C)[C@H]([NH2+]Cc1cncnc1)c1ccc(F)c(F)c1 ZINC000187369107 542244825 /nfs/dbraw/zinc/24/48/25/542244825.db2.gz LLPWMDKDYWQPQN-HNNXBMFYSA-N 1 1 275.302 3.162 20 30 CGEDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cc(C#N)cs1 ZINC000348548281 378988635 /nfs/dbraw/zinc/98/86/35/378988635.db2.gz QKSUHQZNSNEUBC-JSGCOSHPSA-N 1 1 278.421 3.135 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)CC1(O)CCCC1 ZINC000348961741 379123632 /nfs/dbraw/zinc/12/36/32/379123632.db2.gz FCTBNCXPHXEWOW-UHFFFAOYSA-N 1 1 272.392 3.075 20 30 CGEDMO CSCC[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000371785438 379177636 /nfs/dbraw/zinc/17/76/36/379177636.db2.gz NJRUUPPSIRAJBR-CABCVRRESA-N 1 1 260.406 3.121 20 30 CGEDMO COC(=O)c1coc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)c1 ZINC000278229089 379324049 /nfs/dbraw/zinc/32/40/49/379324049.db2.gz KEIFXJPKSSCAKF-NWDGAFQWSA-N 1 1 298.342 3.350 20 30 CGEDMO CCc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)cn1 ZINC000347582668 218280199 /nfs/dbraw/zinc/28/01/99/218280199.db2.gz IFDFIVZDZTWVPB-UHFFFAOYSA-N 1 1 265.360 3.148 20 30 CGEDMO C#Cc1ccc(C[N@@H+](C)CCc2ncc(C)s2)cc1 ZINC000278912830 194208829 /nfs/dbraw/zinc/20/88/29/194208829.db2.gz JSCFTASIWGCZTO-UHFFFAOYSA-N 1 1 270.401 3.107 20 30 CGEDMO N#CCCC[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000374573518 379463125 /nfs/dbraw/zinc/46/31/25/379463125.db2.gz ZUTLXZIAHBECBI-LLVKDONJSA-N 1 1 260.303 3.345 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375431811 379496723 /nfs/dbraw/zinc/49/67/23/379496723.db2.gz SOIMRVCSFHYNPD-CYBMUJFWSA-N 1 1 288.395 3.066 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](CC=C)C2CC2)cc1OC ZINC000350268348 379532784 /nfs/dbraw/zinc/53/27/84/379532784.db2.gz PSSXGMFGGZUKGY-UHFFFAOYSA-N 1 1 273.376 3.410 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)ccc1F ZINC000376371725 379544727 /nfs/dbraw/zinc/54/47/27/379544727.db2.gz VVTMJDHOMFMLOY-INIZCTEOSA-N 1 1 295.361 3.157 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000375739566 379507512 /nfs/dbraw/zinc/50/75/12/379507512.db2.gz BXGJNIWXHFHOOA-SJORKVTESA-N 1 1 291.439 3.054 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCSC(C)(C)CC1 ZINC000279800815 379519082 /nfs/dbraw/zinc/51/90/82/379519082.db2.gz WRTSRHZZVKRMFH-UHFFFAOYSA-N 1 1 290.432 3.284 20 30 CGEDMO C=C(C)CC[NH+]1CCC(Cc2nnc(C(C)C)[nH]2)CC1 ZINC000639715786 379557827 /nfs/dbraw/zinc/55/78/27/379557827.db2.gz CLGNXRBCWHKIEB-UHFFFAOYSA-N 1 1 276.428 3.149 20 30 CGEDMO C=C(C)CC[NH+]1CCC(Cc2n[nH]c(C(C)C)n2)CC1 ZINC000639715786 379557831 /nfs/dbraw/zinc/55/78/31/379557831.db2.gz CLGNXRBCWHKIEB-UHFFFAOYSA-N 1 1 276.428 3.149 20 30 CGEDMO C[C@H](CCC#N)[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000351420806 379722337 /nfs/dbraw/zinc/72/23/37/379722337.db2.gz SCCWBYMXVNAJLP-MRVPVSSYSA-N 1 1 288.235 3.495 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000351420806 379722344 /nfs/dbraw/zinc/72/23/44/379722344.db2.gz SCCWBYMXVNAJLP-MRVPVSSYSA-N 1 1 288.235 3.495 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](C)Cc1c(F)cccc1Cl ZINC000351616244 379731922 /nfs/dbraw/zinc/73/19/22/379731922.db2.gz RMIJPUUXFYVLTF-LLVKDONJSA-N 1 1 271.763 3.238 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)Cc1c(F)cccc1Cl ZINC000351616244 379731927 /nfs/dbraw/zinc/73/19/27/379731927.db2.gz RMIJPUUXFYVLTF-LLVKDONJSA-N 1 1 271.763 3.238 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccccc1-c1ccnn1C ZINC000351642654 379734815 /nfs/dbraw/zinc/73/48/15/379734815.db2.gz XCFWDAJUFNLDLF-UHFFFAOYSA-N 1 1 269.392 3.485 20 30 CGEDMO CO[C@]1(C)CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000280569772 379736400 /nfs/dbraw/zinc/73/64/00/379736400.db2.gz RVHZDDYYHIGWNP-MRXNPFEDSA-N 1 1 276.355 3.088 20 30 CGEDMO C=C(C)CC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000351717363 379742128 /nfs/dbraw/zinc/74/21/28/379742128.db2.gz DJAKHHYYJYBHNE-GJZGRUSLSA-N 1 1 250.430 3.195 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000351751050 379742850 /nfs/dbraw/zinc/74/28/50/379742850.db2.gz FONIPDBHWBQVQV-KRWDZBQOSA-N 1 1 258.409 3.159 20 30 CGEDMO Cc1cnn([C@H]2CC[N@H+](CC#Cc3ccccc3Cl)C2)c1 ZINC000352391276 379791619 /nfs/dbraw/zinc/79/16/19/379791619.db2.gz JREZKHAXWXRYNX-INIZCTEOSA-N 1 1 299.805 3.143 20 30 CGEDMO Cc1cnn([C@H]2CC[N@@H+](CC#Cc3ccccc3Cl)C2)c1 ZINC000352391276 379791626 /nfs/dbraw/zinc/79/16/26/379791626.db2.gz JREZKHAXWXRYNX-INIZCTEOSA-N 1 1 299.805 3.143 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3ccco3)C2)s1 ZINC000378347278 379809180 /nfs/dbraw/zinc/80/91/80/379809180.db2.gz VAYZYDUPDGGIPD-NSHDSACASA-N 1 1 258.346 3.202 20 30 CGEDMO CC[C@@H]1C[N@H+]([C@@H](C)c2ccc(C#N)cc2)CCCO1 ZINC000281542488 379839272 /nfs/dbraw/zinc/83/92/72/379839272.db2.gz WZUMXOLCNJUTCE-XJKSGUPXSA-N 1 1 258.365 3.120 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000378633433 379849188 /nfs/dbraw/zinc/84/91/88/379849188.db2.gz NCHVNHMFWVKZHO-INIZCTEOSA-N 1 1 277.371 3.018 20 30 CGEDMO N#Cc1ccc(OCC[N@H+]2CCC=C(c3ccco3)C2)cc1 ZINC000352549721 379854790 /nfs/dbraw/zinc/85/47/90/379854790.db2.gz GEHVFFZFWSACQH-UHFFFAOYSA-N 1 1 294.354 3.319 20 30 CGEDMO CCOC1CC2(C1)CC[N@@H+](Cc1ccc(C#N)c(C)c1)C2 ZINC000353010621 380073022 /nfs/dbraw/zinc/07/30/22/380073022.db2.gz VVERFNBIPNTIIH-UHFFFAOYSA-N 1 1 284.403 3.258 20 30 CGEDMO N#CC1(CC[N@H+]2CCC[C@H](c3ncc[nH]3)C2)CCCCC1 ZINC000411390966 380141818 /nfs/dbraw/zinc/14/18/18/380141818.db2.gz PEMRMTUPBBXSQK-HNNXBMFYSA-N 1 1 286.423 3.453 20 30 CGEDMO CCOC(=O)C[C@H](C)[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000411503863 380149813 /nfs/dbraw/zinc/14/98/13/380149813.db2.gz LJMSABIPLTZMQP-AWEZNQCLSA-N 1 1 280.412 3.124 20 30 CGEDMO C=CCC(CC=C)C(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000268185757 190384611 /nfs/dbraw/zinc/38/46/11/190384611.db2.gz JSVSOZSUUXOPTE-UHFFFAOYSA-N 1 1 287.407 3.077 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)NC(C)(C)CC ZINC000411137578 380130363 /nfs/dbraw/zinc/13/03/63/380130363.db2.gz OYCHUQOVJMSHQX-CYBMUJFWSA-N 1 1 294.464 3.429 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)NC(C)(C)CC ZINC000411137578 380130369 /nfs/dbraw/zinc/13/03/69/380130369.db2.gz OYCHUQOVJMSHQX-CYBMUJFWSA-N 1 1 294.464 3.429 20 30 CGEDMO C[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)CC(C)(C)O1 ZINC000411179886 380131294 /nfs/dbraw/zinc/13/12/94/380131294.db2.gz AXXAXLWSUKUSSG-CQSZACIVSA-N 1 1 264.413 3.350 20 30 CGEDMO C[C@H](CCC#N)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000411186376 380134673 /nfs/dbraw/zinc/13/46/73/380134673.db2.gz OAODFDJZPNOMPT-MRXNPFEDSA-N 1 1 277.456 3.267 20 30 CGEDMO CC(C)C[C@H](CN[C@@H]1CCc2ccc(C#N)cc21)[NH+](C)C ZINC000353387931 380205139 /nfs/dbraw/zinc/20/51/39/380205139.db2.gz OSPQHOIOGBZFSH-SJLPKXTDSA-N 1 1 285.435 3.111 20 30 CGEDMO CCCN1CCC([NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353424353 380206164 /nfs/dbraw/zinc/20/61/64/380206164.db2.gz GSGZHDAXIGZVDC-GOSISDBHSA-N 1 1 283.419 3.010 20 30 CGEDMO C=C[C@@H](CO)[NH2+][C@H](C)c1csc(-c2ccccc2)n1 ZINC000414170243 380197248 /nfs/dbraw/zinc/19/72/48/380197248.db2.gz WBYYYJLAECVYCY-YPMHNXCESA-N 1 1 274.389 3.008 20 30 CGEDMO CCC[N@H+](CCN1CCCCC1)Cc1ccc(C#N)cc1 ZINC000353168887 380151040 /nfs/dbraw/zinc/15/10/40/380151040.db2.gz OFRIIGKDKOVZRN-UHFFFAOYSA-N 1 1 285.435 3.256 20 30 CGEDMO CCC[N@@H+](CCN1CCCCC1)Cc1ccc(C#N)cc1 ZINC000353168887 380151046 /nfs/dbraw/zinc/15/10/46/380151046.db2.gz OFRIIGKDKOVZRN-UHFFFAOYSA-N 1 1 285.435 3.256 20 30 CGEDMO C[N@@H+](CCOCc1ccccc1)Cc1cccc(C#N)c1 ZINC000268314638 190394805 /nfs/dbraw/zinc/39/48/05/190394805.db2.gz JCQHYDPBCTXOQP-UHFFFAOYSA-N 1 1 280.371 3.207 20 30 CGEDMO CCC[N@H+]1CCC[C@@H]1CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000353971655 380258284 /nfs/dbraw/zinc/25/82/84/380258284.db2.gz LJAADNIIYIZJCU-XJKSGUPXSA-N 1 1 289.398 3.222 20 30 CGEDMO CCCN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000353971655 380258286 /nfs/dbraw/zinc/25/82/86/380258286.db2.gz LJAADNIIYIZJCU-XJKSGUPXSA-N 1 1 289.398 3.222 20 30 CGEDMO CC(C)[C@@H]1[N@@H+](CC(C)(C)CCC#N)CC12CCOCC2 ZINC000414539592 380307444 /nfs/dbraw/zinc/30/74/44/380307444.db2.gz NLCFAOGXTUDJPS-HNNXBMFYSA-N 1 1 278.440 3.453 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1c1ccc(C#N)cc1 ZINC000354078943 380311641 /nfs/dbraw/zinc/31/16/41/380311641.db2.gz ALQOZRFXQSBMAY-INIZCTEOSA-N 1 1 291.398 3.269 20 30 CGEDMO C=CCC[C@H]([NH2+]Cc1ncnn1CCC)c1ccccc1 ZINC000279068391 194270370 /nfs/dbraw/zinc/27/03/70/194270370.db2.gz JQTFRWZVEISXPW-INIZCTEOSA-N 1 1 284.407 3.485 20 30 CGEDMO CCn1cncc1C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000417725612 380671958 /nfs/dbraw/zinc/67/19/58/380671958.db2.gz JMBRYWWJQCFMMA-UHFFFAOYSA-N 1 1 296.418 3.433 20 30 CGEDMO CC[N@@H+](CCCCC#N)CCOc1ccccc1C ZINC000420972334 380865655 /nfs/dbraw/zinc/86/56/55/380865655.db2.gz KIPFISOSBGRTPX-UHFFFAOYSA-N 1 1 260.381 3.390 20 30 CGEDMO CC[N@H+](CCOc1ccccc1C)C[C@H](C#N)CCC#N ZINC000420975483 380866575 /nfs/dbraw/zinc/86/65/75/380866575.db2.gz RCINBJYEGBROPX-INIZCTEOSA-N 1 1 285.391 3.139 20 30 CGEDMO CC[N@@H+](CCOc1ccccc1C)C[C@H](C#N)CCC#N ZINC000420975483 380866585 /nfs/dbraw/zinc/86/65/85/380866585.db2.gz RCINBJYEGBROPX-INIZCTEOSA-N 1 1 285.391 3.139 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](CC(F)(F)F)C2)C1 ZINC000420957114 380868404 /nfs/dbraw/zinc/86/84/04/380868404.db2.gz ZEWPZOULANYTGO-UTUOFQBUSA-N 1 1 260.303 3.343 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000279281334 194366000 /nfs/dbraw/zinc/36/60/00/194366000.db2.gz OJJJUSKNJZUIOK-UHFFFAOYSA-N 1 1 298.430 3.156 20 30 CGEDMO C[C@@H](C1CCC1)[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000357047411 381011113 /nfs/dbraw/zinc/01/11/13/381011113.db2.gz VUMQNSHPQOPERR-LBPRGKRZSA-N 1 1 296.374 3.229 20 30 CGEDMO C[C@H](C#N)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000357834684 381285224 /nfs/dbraw/zinc/28/52/24/381285224.db2.gz RKWOFBXMYZIJLQ-ZIAGYGMSSA-N 1 1 285.391 3.017 20 30 CGEDMO C=C(CC)C[N@@H+](CCC(=O)OC)Cc1ccc(F)c(F)c1 ZINC000358496834 381311484 /nfs/dbraw/zinc/31/14/84/381311484.db2.gz JVMUJCVGDWKLLZ-UHFFFAOYSA-N 1 1 297.345 3.296 20 30 CGEDMO C[C@@H]1CCCC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000360594470 381587509 /nfs/dbraw/zinc/58/75/09/381587509.db2.gz AJZKJQLSFKAACN-CQSZACIVSA-N 1 1 258.365 3.059 20 30 CGEDMO CC[C@@H](C)C[N@@H+](CC)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000361337509 381704608 /nfs/dbraw/zinc/70/46/08/381704608.db2.gz SHIYLNUWKIRPKW-OAHLLOKOSA-N 1 1 293.455 3.039 20 30 CGEDMO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)on1 ZINC000334921112 207294111 /nfs/dbraw/zinc/29/41/11/207294111.db2.gz RCYPSDWWSJTGMN-CYBMUJFWSA-N 1 1 273.361 3.253 20 30 CGEDMO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(C#N)s2)on1 ZINC000334921112 207294114 /nfs/dbraw/zinc/29/41/14/207294114.db2.gz RCYPSDWWSJTGMN-CYBMUJFWSA-N 1 1 273.361 3.253 20 30 CGEDMO C=CCC[C@@H]([NH2+]Cc1nnnn1C(C)(C)C)c1ccccc1 ZINC000362192390 381906398 /nfs/dbraw/zinc/90/63/98/381906398.db2.gz UNQMSCGHNWCBBP-OAHLLOKOSA-N 1 1 299.422 3.225 20 30 CGEDMO COCC[N@@H+](CCCC(C)(C)C#N)[C@@H]1CC[C@H](C)C1 ZINC000362163561 381893203 /nfs/dbraw/zinc/89/32/03/381893203.db2.gz PEHLLAAAOQEPCU-LSDHHAIUSA-N 1 1 266.429 3.453 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000362295788 381932998 /nfs/dbraw/zinc/93/29/98/381932998.db2.gz AGPMTJPXRJOKKN-MWDXBVQZSA-N 1 1 292.467 3.453 20 30 CGEDMO C=C(Cl)C[NH+]1CCC([C@H]2CCCCCN2C(C)=O)CC1 ZINC000366536982 382311987 /nfs/dbraw/zinc/31/19/87/382311987.db2.gz UUCXNJUDCJRBQF-MRXNPFEDSA-N 1 1 298.858 3.242 20 30 CGEDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1CCCC(C)(C)C#N ZINC000363926306 262036508 /nfs/dbraw/zinc/03/65/08/262036508.db2.gz VNXXJRCPPWMZRP-OAHLLOKOSA-N 1 1 274.412 3.195 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@H]1CCC=CO1 ZINC000365793612 382295187 /nfs/dbraw/zinc/29/51/87/382295187.db2.gz GNTRYHYUEHCVBK-KURKYZTESA-N 1 1 282.387 3.451 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H]1CCC=CO1 ZINC000365793612 382295189 /nfs/dbraw/zinc/29/51/89/382295189.db2.gz GNTRYHYUEHCVBK-KURKYZTESA-N 1 1 282.387 3.451 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000367966199 382361850 /nfs/dbraw/zinc/36/18/50/382361850.db2.gz OJFNZGGSQWPWKU-UONOGXRCSA-N 1 1 264.413 3.206 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)ccc1C#N ZINC000335322814 208189264 /nfs/dbraw/zinc/18/92/64/208189264.db2.gz UXNVXAUNSLOAQH-MSOLQXFVSA-N 1 1 284.403 3.115 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)ccc1F ZINC000335379122 208320573 /nfs/dbraw/zinc/32/05/73/208320573.db2.gz JNLKLNGNNGDTEN-WMLDXEAASA-N 1 1 288.366 3.088 20 30 CGEDMO C[C@H]1C[N@@H+](CCOc2ccccc2C#N)C(C)(C)C1 ZINC000350328164 219007856 /nfs/dbraw/zinc/00/78/56/219007856.db2.gz MRBNPZITVWWLMK-CYBMUJFWSA-N 1 1 258.365 3.057 20 30 CGEDMO COc1cc(C[N@@H+]2CCCc3occc3C2)ccc1C#N ZINC000289249083 197274730 /nfs/dbraw/zinc/27/47/30/197274730.db2.gz AWQSFSZCHSYATI-UHFFFAOYSA-N 1 1 282.343 3.108 20 30 CGEDMO COc1cc(C[N@H+]2CCCc3occc3C2)ccc1C#N ZINC000289249083 197274731 /nfs/dbraw/zinc/27/47/31/197274731.db2.gz AWQSFSZCHSYATI-UHFFFAOYSA-N 1 1 282.343 3.108 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000741781282 572526470 /nfs/dbraw/zinc/52/64/70/572526470.db2.gz RPRDVUHFDOYPNX-CQSZACIVSA-N 1 1 263.768 3.207 20 30 CGEDMO Cc1[nH]nc(-c2ccccc2)c1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000330189847 533655383 /nfs/dbraw/zinc/65/53/83/533655383.db2.gz VPTDHCWFFHTCTI-ZDUSSCGKSA-N 1 1 284.363 3.067 20 30 CGEDMO Cc1[nH]nc(-c2ccccc2)c1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000330189847 533655392 /nfs/dbraw/zinc/65/53/92/533655392.db2.gz VPTDHCWFFHTCTI-ZDUSSCGKSA-N 1 1 284.363 3.067 20 30 CGEDMO COc1ccccc1C[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000051372947 392069875 /nfs/dbraw/zinc/06/98/75/392069875.db2.gz JRAHIFKJBGUFMP-UHFFFAOYSA-N 1 1 296.370 3.078 20 30 CGEDMO C#CC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1nc(C2CC2)no1 ZINC000285078842 392316790 /nfs/dbraw/zinc/31/67/90/392316790.db2.gz KNZTWQPLBZZZDF-CZUORRHYSA-N 1 1 295.386 3.232 20 30 CGEDMO COc1ccc(C[N@@H+]2CCc3cc(C)ccc3C2)cc1C#N ZINC000361725611 392304578 /nfs/dbraw/zinc/30/45/78/392304578.db2.gz GKVKSHKOXHPUPO-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO COc1ccc(C[N@H+]2CCc3cc(C)ccc3C2)cc1C#N ZINC000361725611 392304582 /nfs/dbraw/zinc/30/45/82/392304582.db2.gz GKVKSHKOXHPUPO-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000361866693 392348898 /nfs/dbraw/zinc/34/88/98/392348898.db2.gz WLYDSASXJDPQQH-LLVKDONJSA-N 1 1 299.305 3.456 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000285923292 392350580 /nfs/dbraw/zinc/35/05/80/392350580.db2.gz LJBNMYGVRRVEIN-ZACQAIPSSA-N 1 1 257.377 3.067 20 30 CGEDMO C#CC(C)(C)[N@H+](C)CC(=O)Nc1cccc(Cl)c1Cl ZINC000286380446 392381502 /nfs/dbraw/zinc/38/15/02/392381502.db2.gz YZOGDZLAZVSDFH-UHFFFAOYSA-N 1 1 299.201 3.276 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1cccc(Cl)c1Cl ZINC000286380446 392381509 /nfs/dbraw/zinc/38/15/09/392381509.db2.gz YZOGDZLAZVSDFH-UHFFFAOYSA-N 1 1 299.201 3.276 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1OCCc2ccccc21 ZINC000263763328 131325145 /nfs/dbraw/zinc/32/51/45/131325145.db2.gz VHWWJGUCIPFOEW-IBGZPJMESA-N 1 1 292.382 3.304 20 30 CGEDMO C=CC[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000121196842 392411381 /nfs/dbraw/zinc/41/13/81/392411381.db2.gz BMTSTAFNZYHTDP-MRXNPFEDSA-N 1 1 299.418 3.056 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000121196842 392411382 /nfs/dbraw/zinc/41/13/82/392411382.db2.gz BMTSTAFNZYHTDP-MRXNPFEDSA-N 1 1 299.418 3.056 20 30 CGEDMO Cc1cccnc1[C@@H]([NH2+]C[C@H](C#N)CCC#N)C(C)C ZINC000121938134 392417367 /nfs/dbraw/zinc/41/73/67/392417367.db2.gz CUSQOJZRIQEECN-GJZGRUSLSA-N 1 1 270.380 3.120 20 30 CGEDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(CCC(C)(C)C#N)C1 ZINC000363479173 392427897 /nfs/dbraw/zinc/42/78/97/392427897.db2.gz FXAUZVXDGZQSLH-KRWDZBQOSA-N 1 1 285.435 3.133 20 30 CGEDMO CN(Cc1ccccc1)[C@H]1CC[N@H+](CCC(C)(C)C#N)C1 ZINC000363479173 392427902 /nfs/dbraw/zinc/42/79/02/392427902.db2.gz FXAUZVXDGZQSLH-KRWDZBQOSA-N 1 1 285.435 3.133 20 30 CGEDMO CN(Cc1ccccc1)[C@H]1CC[N@@H+](CCC(C)(C)C#N)C1 ZINC000363479173 392427910 /nfs/dbraw/zinc/42/79/10/392427910.db2.gz FXAUZVXDGZQSLH-KRWDZBQOSA-N 1 1 285.435 3.133 20 30 CGEDMO C=CCOc1cccc(C[N@H+](C)[C@@H]2CCN(C)C[C@@H]2C)c1 ZINC000290579173 392451205 /nfs/dbraw/zinc/45/12/05/392451205.db2.gz UKMCVGHHTPIZJF-MAUKXSAKSA-N 1 1 288.435 3.023 20 30 CGEDMO C=CCOc1cccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000290579173 392451228 /nfs/dbraw/zinc/45/12/28/392451228.db2.gz UKMCVGHHTPIZJF-MAUKXSAKSA-N 1 1 288.435 3.023 20 30 CGEDMO C=CCOc1cccc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000290579173 392451232 /nfs/dbraw/zinc/45/12/32/392451232.db2.gz UKMCVGHHTPIZJF-MAUKXSAKSA-N 1 1 288.435 3.023 20 30 CGEDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)C3(C#N)CCC3)c2C1 ZINC000158350669 392563915 /nfs/dbraw/zinc/56/39/15/392563915.db2.gz GIDKBYGRPDDPIZ-UHFFFAOYSA-N 1 1 297.402 3.291 20 30 CGEDMO CC#CCC[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000374503446 392679012 /nfs/dbraw/zinc/67/90/12/392679012.db2.gz IPOGKBKINRHJLW-GFCCVEGCSA-N 1 1 259.315 3.454 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183370837 392755565 /nfs/dbraw/zinc/75/55/65/392755565.db2.gz WKAYDAFQLWIGBK-SFHVURJKSA-N 1 1 296.345 3.351 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183370837 392755570 /nfs/dbraw/zinc/75/55/70/392755570.db2.gz WKAYDAFQLWIGBK-SFHVURJKSA-N 1 1 296.345 3.351 20 30 CGEDMO C=C(C)C[NH+]1CCC(NCc2scnc2C2CC2)CC1 ZINC000487290956 542710756 /nfs/dbraw/zinc/71/07/56/542710756.db2.gz UHWDELSXLSUUFX-UHFFFAOYSA-N 1 1 291.464 3.151 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@@H]2C2CCCC2)n1 ZINC000336012638 392827904 /nfs/dbraw/zinc/82/79/04/392827904.db2.gz SJAHVKGKJVENKB-CYBMUJFWSA-N 1 1 261.394 3.169 20 30 CGEDMO COc1ccc(OCCC[N@H+](C[C@H](C)C#N)C2CC2)cc1 ZINC000338351347 392911180 /nfs/dbraw/zinc/91/11/80/392911180.db2.gz IRLMTNHOHXARAH-CQSZACIVSA-N 1 1 288.391 3.088 20 30 CGEDMO COc1ccc(OCCC[N@@H+](C[C@H](C)C#N)C2CC2)cc1 ZINC000338351347 392911187 /nfs/dbraw/zinc/91/11/87/392911187.db2.gz IRLMTNHOHXARAH-CQSZACIVSA-N 1 1 288.391 3.088 20 30 CGEDMO CC(C)CSCCC[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000338381563 392913852 /nfs/dbraw/zinc/91/38/52/392913852.db2.gz NTTVWCHXJUKERS-ZDUSSCGKSA-N 1 1 254.443 3.390 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@H]2C2CCOCC2)ccc1F ZINC000336387082 392852349 /nfs/dbraw/zinc/85/23/49/392852349.db2.gz RKAVRAZCASNZIA-KRWDZBQOSA-N 1 1 288.366 3.088 20 30 CGEDMO C[C@H]1Cc2ccccc2C[N@H+]1CCOc1ccc(C#N)cc1 ZINC000525640491 392944544 /nfs/dbraw/zinc/94/45/44/392944544.db2.gz KVQKOAWHNGTDTA-HNNXBMFYSA-N 1 1 292.382 3.384 20 30 CGEDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000525410474 392937888 /nfs/dbraw/zinc/93/78/88/392937888.db2.gz HMAGVPIKFDEGHS-CHWSQXEVSA-N 1 1 253.349 3.041 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000338952947 392938033 /nfs/dbraw/zinc/93/80/33/392938033.db2.gz RMHIYOYLFYWYCY-UHFFFAOYSA-N 1 1 299.418 3.030 20 30 CGEDMO CC(C)C[C@@H]1CCC[N@H+]1CCOc1ccccc1C#N ZINC000396876124 392943711 /nfs/dbraw/zinc/94/37/11/392943711.db2.gz QIJZIPWFZFJJOT-INIZCTEOSA-N 1 1 272.392 3.448 20 30 CGEDMO CCC[C@@]1(CO)CCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411644938 392984898 /nfs/dbraw/zinc/98/48/98/392984898.db2.gz NVJGUUARHWGWIZ-KRWDZBQOSA-N 1 1 278.440 3.478 20 30 CGEDMO N#C[C@H]1CC[C@@H]([N@H+]2CCC[C@H](Oc3ccccc3)C2)C1 ZINC000411986454 392992904 /nfs/dbraw/zinc/99/29/04/392992904.db2.gz PJQXOBFQGCZPJT-UXLLHSPISA-N 1 1 270.376 3.222 20 30 CGEDMO COc1ccc(C[N@@H+](Cc2ccccn2)C(C)C)cc1C#N ZINC000533954311 392998532 /nfs/dbraw/zinc/99/85/32/392998532.db2.gz MJTQGFHFMYGAAM-UHFFFAOYSA-N 1 1 295.386 3.372 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1cn2cc(C)ccc2n1 ZINC000342855942 393010019 /nfs/dbraw/zinc/01/00/19/393010019.db2.gz YIKVHJQIOHXVTA-HNNXBMFYSA-N 1 1 255.365 3.183 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cn2cc(C)ccc2n1 ZINC000342855942 393010033 /nfs/dbraw/zinc/01/00/33/393010033.db2.gz YIKVHJQIOHXVTA-HNNXBMFYSA-N 1 1 255.365 3.183 20 30 CGEDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC1(C#N)CC1 ZINC000343149511 393019948 /nfs/dbraw/zinc/01/99/48/393019948.db2.gz OPTHLRIIFSRXIR-UHFFFAOYSA-N 1 1 273.336 3.109 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC1(C#N)CC1 ZINC000343149511 393019954 /nfs/dbraw/zinc/01/99/54/393019954.db2.gz OPTHLRIIFSRXIR-UHFFFAOYSA-N 1 1 273.336 3.109 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)CCC(C)(C)OC ZINC000346439324 393087634 /nfs/dbraw/zinc/08/76/34/393087634.db2.gz VHOPQUOMALQACA-UHFFFAOYSA-N 1 1 254.418 3.453 20 30 CGEDMO C=CCOCCC[N@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000344106774 393037613 /nfs/dbraw/zinc/03/76/13/393037613.db2.gz IHDBEMLJQLAGLE-UHFFFAOYSA-N 1 1 275.392 3.252 20 30 CGEDMO Cc1cc(C[N@@H+](C)[C@@H](C)CC#N)cc2cccnc12 ZINC000346145444 393076331 /nfs/dbraw/zinc/07/63/31/393076331.db2.gz SASPPMQMGSYRAW-ZDUSSCGKSA-N 1 1 253.349 3.277 20 30 CGEDMO Cc1cc(C[N@H+](C)[C@@H](C)CC#N)cc2cccnc12 ZINC000346145444 393076337 /nfs/dbraw/zinc/07/63/37/393076337.db2.gz SASPPMQMGSYRAW-ZDUSSCGKSA-N 1 1 253.349 3.277 20 30 CGEDMO COC(=O)c1cccc(C[N@H+]2CCCCC[C@@H]2C)c1C#N ZINC000547948520 393160583 /nfs/dbraw/zinc/16/05/83/393160583.db2.gz ABBUVVAZMIJCBQ-ZDUSSCGKSA-N 1 1 286.375 3.109 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000354416305 393243385 /nfs/dbraw/zinc/24/33/85/393243385.db2.gz VRQVHCJELQLBFJ-OAHLLOKOSA-N 1 1 276.424 3.207 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000355203001 393255693 /nfs/dbraw/zinc/25/56/93/393255693.db2.gz DCTJKYFEKGHPEB-CABCVRRESA-N 1 1 264.413 3.065 20 30 CGEDMO C[C@@H]1CCSCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000279314832 393333177 /nfs/dbraw/zinc/33/31/77/393333177.db2.gz RQCDMRFXXVSKMF-LLVKDONJSA-N 1 1 264.369 3.025 20 30 CGEDMO C[C@@H]1CCSCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000279314832 393333182 /nfs/dbraw/zinc/33/31/82/393333182.db2.gz RQCDMRFXXVSKMF-LLVKDONJSA-N 1 1 264.369 3.025 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@](C)(OC)C2)c1 ZINC000355215020 393262236 /nfs/dbraw/zinc/26/22/36/393262236.db2.gz HVRAAFQMBNUNCV-KRWDZBQOSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000649318250 393399478 /nfs/dbraw/zinc/39/94/78/393399478.db2.gz IAIBWUFDTTXNID-OAHLLOKOSA-N 1 1 284.407 3.265 20 30 CGEDMO C=C(C)[C@@H](CO)[N@@H+](C)CC(C)(C)c1ccc(C)cc1 ZINC000649324170 393401551 /nfs/dbraw/zinc/40/15/51/393401551.db2.gz LXLOVJWIWPSYDG-MRXNPFEDSA-N 1 1 261.409 3.141 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CC=C(c2ccc(CC)cc2)CC1 ZINC000649407362 393414287 /nfs/dbraw/zinc/41/42/87/393414287.db2.gz JJNMOKALROMFHA-SFHVURJKSA-N 1 1 271.404 3.275 20 30 CGEDMO C=C(C)[C@@H](CO)[N@@H+]1CC=C(c2cccc(C)c2)CC1 ZINC000649406915 393414404 /nfs/dbraw/zinc/41/44/04/393414404.db2.gz HNHDOPAXYRMFGW-QGZVFWFLSA-N 1 1 257.377 3.021 20 30 CGEDMO CC(C)(C)[C@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000356340655 393423266 /nfs/dbraw/zinc/42/32/66/393423266.db2.gz PAOMIKVFIWHMNH-NSHDSACASA-N 1 1 263.410 3.273 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@@H]1CC[C@H](C)C1 ZINC000429565174 393481352 /nfs/dbraw/zinc/48/13/52/393481352.db2.gz HBHJVNRADIYNOY-SWLSCSKDSA-N 1 1 258.365 3.187 20 30 CGEDMO C=CC[N@H+](CCc1cncc(C)n1)CC1CCCCC1 ZINC000649529317 393467343 /nfs/dbraw/zinc/46/73/43/393467343.db2.gz MFOWISHPINAFKB-UHFFFAOYSA-N 1 1 273.424 3.396 20 30 CGEDMO Cc1cc(C[N@@H+](CCCO)Cc2ccccc2)ccc1C#N ZINC000488245673 393472908 /nfs/dbraw/zinc/47/29/08/393472908.db2.gz RQLJCESTLGVNKR-UHFFFAOYSA-N 1 1 294.398 3.251 20 30 CGEDMO CO[C@@H](C)C[N@@H+](Cc1ccc(C#N)c(C)c1)C(C)C ZINC000488438535 393513132 /nfs/dbraw/zinc/51/31/32/393513132.db2.gz GPUGEURYBLJFAM-AWEZNQCLSA-N 1 1 260.381 3.112 20 30 CGEDMO CC(C)[C@@H]1[N@@H+](Cc2cnc3ccc(C#N)cn23)CC12CCC2 ZINC000430108674 393524021 /nfs/dbraw/zinc/52/40/21/393524021.db2.gz WNHDWGLARASABJ-KRWDZBQOSA-N 1 1 294.402 3.216 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCCN(c2nc(C)ns2)CC1 ZINC000359507548 393550846 /nfs/dbraw/zinc/55/08/46/393550846.db2.gz LKWYJUOXPNNYKQ-CYBMUJFWSA-N 1 1 294.468 3.103 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)C1CC(OC(C)(C)C)C1 ZINC000421009625 393572997 /nfs/dbraw/zinc/57/29/97/393572997.db2.gz NFFBDIAMOJDZHG-UHFFFAOYSA-N 1 1 290.382 3.475 20 30 CGEDMO Cc1ccc(C[N@H+](CCO)Cc2cccc(C#N)c2F)cc1 ZINC000361060435 393659908 /nfs/dbraw/zinc/65/99/08/393659908.db2.gz WAJIHSPOIXHFDS-UHFFFAOYSA-N 1 1 298.361 3.000 20 30 CGEDMO Cc1ccc(C[N@@H+](CCO)Cc2cccc(C#N)c2F)cc1 ZINC000361060435 393659915 /nfs/dbraw/zinc/65/99/15/393659915.db2.gz WAJIHSPOIXHFDS-UHFFFAOYSA-N 1 1 298.361 3.000 20 30 CGEDMO CC1(C)C[C@@H](c2ccccc2)[N@@H+](CCOCCC#N)C1 ZINC000425541864 393697944 /nfs/dbraw/zinc/69/79/44/393697944.db2.gz NNKXWZLFNIFVJD-INIZCTEOSA-N 1 1 272.392 3.390 20 30 CGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000443650372 393769564 /nfs/dbraw/zinc/76/95/64/393769564.db2.gz IVYFFQGBFYNQCW-QLFBSQMISA-N 1 1 299.418 3.253 20 30 CGEDMO Cc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)ccc1C#N ZINC000449453921 393882729 /nfs/dbraw/zinc/88/27/29/393882729.db2.gz XZJOYIRUAVTRRZ-QRVBRYPASA-N 1 1 298.430 3.382 20 30 CGEDMO CO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(C#N)cs2)C12CCC2 ZINC000449627822 393926418 /nfs/dbraw/zinc/92/64/18/393926418.db2.gz AUTPICMDGZSDLG-ZIAGYGMSSA-N 1 1 276.405 3.009 20 30 CGEDMO CO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)s2)C12CCC2 ZINC000449629690 393927388 /nfs/dbraw/zinc/92/73/88/393927388.db2.gz GCEKEBLFTTWOTB-KBPBESRZSA-N 1 1 276.405 3.009 20 30 CGEDMO CCn1ccnc1[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000453123856 394179507 /nfs/dbraw/zinc/17/95/07/394179507.db2.gz QOHHDSSNNDATCW-STQMWFEESA-N 1 1 268.364 3.186 20 30 CGEDMO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1ccc(C#N)s1 ZINC000453615640 394260226 /nfs/dbraw/zinc/26/02/26/394260226.db2.gz FIXLJDNHGBCAKI-UHFFFAOYSA-N 1 1 288.420 3.011 20 30 CGEDMO C=CC[N@H+](CCCOC(C)C)Cc1ccc(OC)cc1 ZINC000171499680 335067322 /nfs/dbraw/zinc/06/73/22/335067322.db2.gz LWCCKNHKFGHCCX-UHFFFAOYSA-N 1 1 277.408 3.498 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2ccnn2CC2CC2)C1 ZINC000668494148 543020003 /nfs/dbraw/zinc/02/00/03/543020003.db2.gz WOORLXZEUJMKAZ-AWEZNQCLSA-N 1 1 259.397 3.081 20 30 CGEDMO CN(c1cccc(Cl)c1C#N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295629724 397672540 /nfs/dbraw/zinc/67/25/40/397672540.db2.gz BWBNGDYPYKLXLP-FUNVUKJBSA-N 1 1 289.810 3.273 20 30 CGEDMO C=CCC[N@H+](Cc1ccnc(OC(C)C)c1)C1CC1 ZINC000338566507 397683909 /nfs/dbraw/zinc/68/39/09/397683909.db2.gz JDKDGAGLGDAWJN-UHFFFAOYSA-N 1 1 260.381 3.409 20 30 CGEDMO CCC#C[C@H](C)[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000650060707 397773574 /nfs/dbraw/zinc/77/35/74/397773574.db2.gz CJBKHRHNBBTENM-WMLDXEAASA-N 1 1 257.377 3.034 20 30 CGEDMO COC[C@@H]1CCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000674469095 543287330 /nfs/dbraw/zinc/28/73/30/543287330.db2.gz GGSBXLNCTCILLY-HNNXBMFYSA-N 1 1 297.320 3.168 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCc2ccccc2[C@@H]1CC ZINC000675494838 543344238 /nfs/dbraw/zinc/34/42/38/543344238.db2.gz DSBFSJHYEFBSAV-WBVHZDCISA-N 1 1 259.393 3.323 20 30 CGEDMO COC(C)(C)C[N@@H+](C)CC#Cc1ccccc1Cl ZINC000676715845 543412616 /nfs/dbraw/zinc/41/26/16/543412616.db2.gz LBDSWQVILSZOIO-UHFFFAOYSA-N 1 1 265.784 3.048 20 30 CGEDMO C[N@H+](CC#Cc1ccc(F)cc1)Cc1cccc(O)c1 ZINC000676627250 543408193 /nfs/dbraw/zinc/40/81/93/543408193.db2.gz ROHHPGCSFPUIQL-UHFFFAOYSA-N 1 1 269.319 3.015 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(F)cc1)Cc1cccc(O)c1 ZINC000676627250 543408195 /nfs/dbraw/zinc/40/81/95/543408195.db2.gz ROHHPGCSFPUIQL-UHFFFAOYSA-N 1 1 269.319 3.015 20 30 CGEDMO CCC#C[C@H](C)[N@@H+](C)CCCc1ccc(OC)cc1 ZINC000677048179 543427867 /nfs/dbraw/zinc/42/78/67/543427867.db2.gz ORALRCPDNMNOJB-HNNXBMFYSA-N 1 1 259.393 3.362 20 30 CGEDMO C=C(C)[C@@H](CO)[N@@H+](C)Cc1cccc2ccccc21 ZINC000677047671 543427909 /nfs/dbraw/zinc/42/79/09/543427909.db2.gz FJJQNZQCWJQDGF-QGZVFWFLSA-N 1 1 255.361 3.209 20 30 CGEDMO CCC#C[C@H](C)[NH+]1CCN(c2nccc3sccc32)CC1 ZINC000677168365 543437251 /nfs/dbraw/zinc/43/72/51/543437251.db2.gz SFRJAFLVHCOAJH-AWEZNQCLSA-N 1 1 299.443 3.220 20 30 CGEDMO COCC#CC[N@@H+](C)[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000677817793 543467383 /nfs/dbraw/zinc/46/73/83/543467383.db2.gz BNIPTOZGVAHZHJ-LBPRGKRZSA-N 1 1 285.309 3.348 20 30 CGEDMO COCC#CC[N@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000677818649 543468190 /nfs/dbraw/zinc/46/81/90/543468190.db2.gz SJUOXDQDRJOBEJ-QGZVFWFLSA-N 1 1 257.377 3.254 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000678715841 543550503 /nfs/dbraw/zinc/55/05/03/543550503.db2.gz FYDNZOBNVVJAEB-QJPTWQEYSA-N 1 1 265.319 3.383 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000678715841 543550504 /nfs/dbraw/zinc/55/05/04/543550504.db2.gz FYDNZOBNVVJAEB-QJPTWQEYSA-N 1 1 265.319 3.383 20 30 CGEDMO CCCC[N@H+](C)C[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000554743178 289307508 /nfs/dbraw/zinc/30/75/08/289307508.db2.gz YKAMHGGMNKLIRN-GJZGRUSLSA-N 1 1 273.424 3.329 20 30 CGEDMO CCCC[N@@H+](C)C[C@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000554743178 289307512 /nfs/dbraw/zinc/30/75/12/289307512.db2.gz YKAMHGGMNKLIRN-GJZGRUSLSA-N 1 1 273.424 3.329 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)CC1CCCC1 ZINC000070158333 165057937 /nfs/dbraw/zinc/05/79/37/165057937.db2.gz LGGVCTBDCDMCGG-UHFFFAOYSA-N 1 1 285.391 3.009 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@@H](C)CC2)cc1C#N ZINC000087833411 165188838 /nfs/dbraw/zinc/18/88/38/165188838.db2.gz IBQNINPJDIOMFK-CYBMUJFWSA-N 1 1 258.365 3.189 20 30 CGEDMO N#Cc1ccccc1OCC[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000087770973 165189927 /nfs/dbraw/zinc/18/99/27/165189927.db2.gz SLRQVGUSNQSADC-ZBFHGGJFSA-N 1 1 270.376 3.202 20 30 CGEDMO COc1ccc(C[N@@H+](C)Cc2ccccc2)cc1C#N ZINC000087833092 165190615 /nfs/dbraw/zinc/19/06/15/165190615.db2.gz FSJAINBKOZYIOM-UHFFFAOYSA-N 1 1 266.344 3.199 20 30 CGEDMO CC[C@@H]1CCCC[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000087833133 165191261 /nfs/dbraw/zinc/19/12/61/165191261.db2.gz SZPGZUDSOGSHTI-OAHLLOKOSA-N 1 1 258.365 3.331 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@@H](C)c2cccnc2)cc1C#N ZINC000093234357 165327135 /nfs/dbraw/zinc/32/71/35/165327135.db2.gz ZBOSBSDLPHASJC-ZDUSSCGKSA-N 1 1 281.359 3.155 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H](C)S1 ZINC000121550660 287199697 /nfs/dbraw/zinc/19/96/97/287199697.db2.gz OZSPHNNKWZGIPB-PHIMTYICSA-N 1 1 264.369 3.023 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000121294463 287196228 /nfs/dbraw/zinc/19/62/28/287196228.db2.gz AZINFFFACOJUFO-ZDUSSCGKSA-N 1 1 296.370 3.465 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000121294463 287196230 /nfs/dbraw/zinc/19/62/30/287196230.db2.gz AZINFFFACOJUFO-ZDUSSCGKSA-N 1 1 296.370 3.465 20 30 CGEDMO N#Cc1cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)ccc1F ZINC000121694619 287202075 /nfs/dbraw/zinc/20/20/75/287202075.db2.gz NHZOJNOZHWMKNH-OKILXGFUSA-N 1 1 258.340 3.319 20 30 CGEDMO CC[N@@H+](CCOc1ccccc1C#N)C1CCCC1 ZINC000035766098 172408070 /nfs/dbraw/zinc/40/80/70/172408070.db2.gz UXGJRODLWRINCQ-UHFFFAOYSA-N 1 1 258.365 3.202 20 30 CGEDMO CSCC[C@@H](C)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000126618005 287269184 /nfs/dbraw/zinc/26/91/84/287269184.db2.gz IFXXUXWQAPUUOL-LLVKDONJSA-N 1 1 266.385 3.271 20 30 CGEDMO C[C@@H](C[NH+]1CCCCC1)N[C@@H](C)c1cccc(C#N)c1 ZINC000037319716 173119986 /nfs/dbraw/zinc/11/99/86/173119986.db2.gz OGXSIMOSWMBLFX-GJZGRUSLSA-N 1 1 271.408 3.083 20 30 CGEDMO CCCC[N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000070738506 176004690 /nfs/dbraw/zinc/00/46/90/176004690.db2.gz XZHJFXXJDLBLRV-UHFFFAOYSA-N 1 1 297.402 3.470 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000071170400 176050923 /nfs/dbraw/zinc/05/09/23/176050923.db2.gz DFAZEWOUVFZNRT-AWEZNQCLSA-N 1 1 258.365 3.182 20 30 CGEDMO C[C@@H](NCC[N@@H+](C)C1CCCC1)c1cccc(C#N)c1 ZINC000071377034 176141924 /nfs/dbraw/zinc/14/19/24/176141924.db2.gz DOSQQNWRBJTBJO-CQSZACIVSA-N 1 1 271.408 3.083 20 30 CGEDMO C[C@@H]([NH2+]CCN(C)C1CCCC1)c1cccc(C#N)c1 ZINC000071377034 176141925 /nfs/dbraw/zinc/14/19/25/176141925.db2.gz DOSQQNWRBJTBJO-CQSZACIVSA-N 1 1 271.408 3.083 20 30 CGEDMO C[N@@H+](CCCC(=O)OC(C)(C)C)Cc1cccc(C#N)c1 ZINC000076416093 177022034 /nfs/dbraw/zinc/02/20/34/177022034.db2.gz YOLVCNGSRRXERG-UHFFFAOYSA-N 1 1 288.391 3.112 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](OC(F)F)C2)cc1 ZINC000679738932 543658200 /nfs/dbraw/zinc/65/82/00/543658200.db2.gz GUDOWKWTYULPIV-OAHLLOKOSA-N 1 1 297.345 3.455 20 30 CGEDMO C=C(C)[C@H]([NH2+]Cc1cn[nH]c1)c1ccc(F)c(F)c1 ZINC000681375619 543784863 /nfs/dbraw/zinc/78/48/63/543784863.db2.gz WXERKWLNFJMQMA-AWEZNQCLSA-N 1 1 263.291 3.095 20 30 CGEDMO CC(C)(C)[C@H]1CC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000131362857 287377357 /nfs/dbraw/zinc/37/73/57/287377357.db2.gz QFAVKQWZZCEVTP-HNNXBMFYSA-N 1 1 272.392 3.305 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@H](C)Cc1ccccc1C ZINC000683678550 543931132 /nfs/dbraw/zinc/93/11/32/543931132.db2.gz OTYJJYUILOXEQS-WBVHZDCISA-N 1 1 261.409 3.185 20 30 CGEDMO Cc1c([C@H](C)[NH2+]CC2(C#N)CC2)cnn1-c1ccc(F)cc1 ZINC000347651617 226226719 /nfs/dbraw/zinc/22/67/19/226226719.db2.gz LMTLEJBHEAYOJH-LBPRGKRZSA-N 1 1 298.365 3.274 20 30 CGEDMO C=CCCC(C)(C)NC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000664397137 418949680 /nfs/dbraw/zinc/94/96/80/418949680.db2.gz OJUPSSNFIXYQAQ-OAHLLOKOSA-N 1 1 295.471 3.008 20 30 CGEDMO C=CCCC[N@H+](C)CC[C@@H]1Sc2ccccc2NC1=O ZINC000659940205 419040446 /nfs/dbraw/zinc/04/04/46/419040446.db2.gz DAPSRYRGGMGRFQ-HNNXBMFYSA-N 1 1 290.432 3.388 20 30 CGEDMO C=CCOc1ccc(C[NH2+][C@@H]2CCCn3ccnc32)cc1 ZINC000655767156 419091901 /nfs/dbraw/zinc/09/19/01/419091901.db2.gz RDEBMTYWMAATEN-MRXNPFEDSA-N 1 1 283.375 3.073 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@@H](c2ccccc2C)C2CC2)nn1 ZINC000653608836 419059414 /nfs/dbraw/zinc/05/94/14/419059414.db2.gz JCEHFAYQWACCJY-GOSISDBHSA-N 1 1 296.418 3.404 20 30 CGEDMO C=CC[C@@H]1[N@@H+](C[C@@H](OC)[C@@H]2CCOC2)CCCC1(C)C ZINC000660423761 419141822 /nfs/dbraw/zinc/14/18/22/419141822.db2.gz VWVDIBKQOIGLTP-OAGGEKHMSA-N 1 1 281.440 3.105 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(SC)cc1)[C@@H](C)COC ZINC000661248943 419244780 /nfs/dbraw/zinc/24/47/80/419244780.db2.gz WZEVSECMRCRHAY-ZDUSSCGKSA-N 1 1 265.422 3.431 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2nc3ccccc3n2C)C1 ZINC000661380082 419254919 /nfs/dbraw/zinc/25/49/19/419254919.db2.gz DWPFLNPYCYYNRE-AWEZNQCLSA-N 1 1 269.392 3.361 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](CCCCn2ccnc2C)C1 ZINC000661380439 419255239 /nfs/dbraw/zinc/25/52/39/419255239.db2.gz HCXZUBQTUTYXOT-INIZCTEOSA-N 1 1 261.413 3.260 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)NCc2cccs2)C1 ZINC000661378885 419255665 /nfs/dbraw/zinc/25/56/65/419255665.db2.gz NSNXSBREOFJMOV-ZIAGYGMSSA-N 1 1 292.448 3.041 20 30 CGEDMO C=CCOCC[N@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661433415 419259250 /nfs/dbraw/zinc/25/92/50/419259250.db2.gz GGHUXSKJVPPVGC-OAHLLOKOSA-N 1 1 261.365 3.399 20 30 CGEDMO C[C@@H](CO)[C@H]1CCCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000661440547 419259987 /nfs/dbraw/zinc/25/99/87/419259987.db2.gz DNNPQQMHULHZAH-WMLDXEAASA-N 1 1 291.822 3.174 20 30 CGEDMO C[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)[C@@H]1CCO ZINC000661502022 419267223 /nfs/dbraw/zinc/26/72/23/419267223.db2.gz YXTYEELBUPQNEO-WMLDXEAASA-N 1 1 291.822 3.174 20 30 CGEDMO C=CCCn1cc(CNc2ccc(CCC(C)C)c[nH+]2)nn1 ZINC000656776961 419216207 /nfs/dbraw/zinc/21/62/07/419216207.db2.gz SFWHWNPROMARDN-UHFFFAOYSA-N 1 1 299.422 3.450 20 30 CGEDMO C=CC[N@H+](Cc1cn2cc(C)ccc2n1)C(C)(C)C ZINC000661754954 419294837 /nfs/dbraw/zinc/29/48/37/419294837.db2.gz IGHDFZRJAYDOAN-UHFFFAOYSA-N 1 1 257.381 3.429 20 30 CGEDMO C=CC[N@H+](CCCc1cc(CC)no1)C(C)(C)C ZINC000661759181 419295608 /nfs/dbraw/zinc/29/56/08/419295608.db2.gz CNFDXQSIOQVLAU-UHFFFAOYSA-N 1 1 250.386 3.456 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1nc(-c2cccnc2)no1 ZINC000662078224 419332486 /nfs/dbraw/zinc/33/24/86/419332486.db2.gz CWLNQUNAIBFDHA-YUELXQCFSA-N 1 1 296.374 3.376 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC000662081351 419333488 /nfs/dbraw/zinc/33/34/88/419333488.db2.gz VYVTXJXDQNMHEZ-VBNZEHGJSA-N 1 1 288.366 3.336 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ncc(C)cc1C ZINC000662089001 419334238 /nfs/dbraw/zinc/33/42/38/419334238.db2.gz QSWRKSYDYYGHPZ-IYBDPMFKSA-N 1 1 256.393 3.424 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)[C@@H](C)CC(C)C ZINC000662084724 419334263 /nfs/dbraw/zinc/33/42/63/419334263.db2.gz VSDNHOLVYCURID-HRCADAONSA-N 1 1 278.440 3.062 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnc(OC)c(Cl)c1 ZINC000662087628 419334418 /nfs/dbraw/zinc/33/44/18/419334418.db2.gz GFIUYJHREFYCOF-BETUJISGSA-N 1 1 278.783 3.427 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccc(F)c(F)c1 ZINC000662085315 419334636 /nfs/dbraw/zinc/33/46/36/419334636.db2.gz DEXBFRITYJCIDT-BETUJISGSA-N 1 1 292.329 3.086 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1cccc(OC)c1 ZINC000662087930 419335049 /nfs/dbraw/zinc/33/50/49/419335049.db2.gz PXIAFDNLJPRVLO-GASCZTMLSA-N 1 1 273.376 3.257 20 30 CGEDMO C=CCC[C@@H](N[C@H]1CC[N@@H+](CCC)C1)c1ccco1 ZINC000658287539 419736856 /nfs/dbraw/zinc/73/68/56/419736856.db2.gz ZZYFBNJOHIKGCM-LSDHHAIUSA-N 1 1 262.397 3.361 20 30 CGEDMO C=CCC[C@@H](N[C@H]1CC[N@H+](CCC)C1)c1ccco1 ZINC000658287539 419736863 /nfs/dbraw/zinc/73/68/63/419736863.db2.gz ZZYFBNJOHIKGCM-LSDHHAIUSA-N 1 1 262.397 3.361 20 30 CGEDMO C=CCCC(C)(C)NC(=O)NCCCCn1cc[nH+]c1C ZINC000664211421 419859116 /nfs/dbraw/zinc/85/91/16/419859116.db2.gz OCTFEUBMLDRCIL-UHFFFAOYSA-N 1 1 292.427 3.016 20 30 CGEDMO C=CCC[C@@H](NC(=O)Cn1cc[nH+]c1C)c1ccccc1 ZINC000297662484 260132064 /nfs/dbraw/zinc/13/20/64/260132064.db2.gz VCOXDMRMXANEHP-MRXNPFEDSA-N 1 1 283.375 3.015 20 30 CGEDMO C[C@]12CC[N@@H+](CC#Cc3ccccc3)C[C@H]1C2(F)F ZINC000298212609 260147503 /nfs/dbraw/zinc/14/75/03/260147503.db2.gz DRDHKBQDXOSMOJ-CABCVRRESA-N 1 1 261.315 3.015 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(F)c(Br)c1 ZINC000054182459 260216620 /nfs/dbraw/zinc/21/66/20/260216620.db2.gz STIUEXQOIBLPFW-SNVBAGLBSA-N 1 1 285.160 3.370 20 30 CGEDMO C[N@@H+](CCC#N)CCCOc1cccc2ccccc21 ZINC000083218184 260347406 /nfs/dbraw/zinc/34/74/06/260347406.db2.gz HQPCUUSIMAWLAC-UHFFFAOYSA-N 1 1 268.360 3.454 20 30 CGEDMO C[N@H+](CCC#N)CCCOc1cccc2ccccc21 ZINC000083218184 260347407 /nfs/dbraw/zinc/34/74/07/260347407.db2.gz HQPCUUSIMAWLAC-UHFFFAOYSA-N 1 1 268.360 3.454 20 30 CGEDMO N#CCSCCC[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000154851290 261095050 /nfs/dbraw/zinc/09/50/50/261095050.db2.gz ZKDLVUIITXAGKD-INIZCTEOSA-N 1 1 289.448 3.210 20 30 CGEDMO C=CC1CC[NH+](Cc2nc(CCc3ccccc3)no2)CC1 ZINC000173723792 261168759 /nfs/dbraw/zinc/16/87/59/261168759.db2.gz JYHAZWPOEKBQIE-UHFFFAOYSA-N 1 1 297.402 3.253 20 30 CGEDMO CC(C)C[C@H]1COCC[N@H+]1CCCC(C)(C)C#N ZINC000174862786 261200065 /nfs/dbraw/zinc/20/00/65/261200065.db2.gz ZUCUVVAPFCAVOD-AWEZNQCLSA-N 1 1 252.402 3.063 20 30 CGEDMO COc1ccc(C[C@H](C)C[N@@H+](C)[C@@H](C)CC#N)cc1F ZINC000186689880 262105497 /nfs/dbraw/zinc/10/54/97/262105497.db2.gz FWQFREHLBWESFL-STQMWFEESA-N 1 1 278.371 3.247 20 30 CGEDMO CC[C@H](CC#N)NC1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000365043760 262268107 /nfs/dbraw/zinc/26/81/07/262268107.db2.gz LLEUJYYVJFNHES-MRXNPFEDSA-N 1 1 289.398 3.072 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000336803731 262395779 /nfs/dbraw/zinc/39/57/79/262395779.db2.gz ZNJIQMFXSIRPJB-MRXNPFEDSA-N 1 1 264.413 3.209 20 30 CGEDMO COC[C@@H]([NH2+]CCC1(C#N)CCCCC1)c1ccco1 ZINC000411515719 262697227 /nfs/dbraw/zinc/69/72/27/262697227.db2.gz WDCIVRFVNGMGLX-CQSZACIVSA-N 1 1 276.380 3.421 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000272044163 263001775 /nfs/dbraw/zinc/00/17/75/263001775.db2.gz RTSKHKZHJQJLGE-INIZCTEOSA-N 1 1 256.393 3.491 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000272044164 263001834 /nfs/dbraw/zinc/00/18/34/263001834.db2.gz RTSKHKZHJQJLGE-MRXNPFEDSA-N 1 1 256.393 3.491 20 30 CGEDMO COC(=O)c1oc([C@H](C)[NH+]2CCC(C)(C#N)CC2)cc1C ZINC000272486936 263005414 /nfs/dbraw/zinc/00/54/14/263005414.db2.gz BRBWXPZLGUCOSO-LBPRGKRZSA-N 1 1 290.363 3.061 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C)CCCc1ccccc1Cl ZINC000273086893 263012339 /nfs/dbraw/zinc/01/23/39/263012339.db2.gz YXZDRLZYOFBWBD-GFCCVEGCSA-N 1 1 250.773 3.364 20 30 CGEDMO C[C@H](CCC#N)[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000276328910 263036224 /nfs/dbraw/zinc/03/62/24/263036224.db2.gz QRSKESVKIOVCGQ-CYBMUJFWSA-N 1 1 277.799 3.154 20 30 CGEDMO C[C@H](CCC#N)[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000276332935 263036529 /nfs/dbraw/zinc/03/65/29/263036529.db2.gz RICMVMQWNDNZDB-CYBMUJFWSA-N 1 1 280.375 3.344 20 30 CGEDMO C=CCOc1ccc(C[NH2+]Cc2ncccc2N(C)C)cc1 ZINC000353189400 263044445 /nfs/dbraw/zinc/04/44/45/263044445.db2.gz HYQXLCKMBBKDSA-UHFFFAOYSA-N 1 1 297.402 3.002 20 30 CGEDMO CC(C)(C#N)c1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)cc1 ZINC000279430649 263055306 /nfs/dbraw/zinc/05/53/06/263055306.db2.gz GQXYCVVADXFSDH-INIZCTEOSA-N 1 1 297.402 3.053 20 30 CGEDMO N#CC1CCC(C[NH2+]Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000281591067 263070587 /nfs/dbraw/zinc/07/05/87/263070587.db2.gz FANSICSHBMVHAT-UHFFFAOYSA-N 1 1 294.402 3.496 20 30 CGEDMO C=CCC[C@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1ccco1 ZINC000353454185 263070668 /nfs/dbraw/zinc/07/06/68/263070668.db2.gz IGAQNVYOBROIIL-GJZGRUSLSA-N 1 1 262.397 3.217 20 30 CGEDMO CC(C)(C#N)CCO[NH+]=C(N)CCCc1ccccc1 ZINC000281777815 263071813 /nfs/dbraw/zinc/07/18/13/263071813.db2.gz DOLXKJPLKRWMTA-UHFFFAOYSA-N 1 1 273.380 3.238 20 30 CGEDMO N#CC1(CCC[N@H+]2CCC[C@@H]2c2ccncc2)CCOCC1 ZINC000282055015 263073821 /nfs/dbraw/zinc/07/38/21/263073821.db2.gz RSWNPKVSUSKTBP-QGZVFWFLSA-N 1 1 299.418 3.319 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@@H]1CN(CCC#N)Cc1ccco1 ZINC000340281105 263104355 /nfs/dbraw/zinc/10/43/55/263104355.db2.gz AIZKDIJYEMPMON-MRXNPFEDSA-N 1 1 289.423 3.258 20 30 CGEDMO Cc1ccc([C@H]2CSCC[N@H+]2CCOCCC#N)cc1 ZINC000293052165 263137459 /nfs/dbraw/zinc/13/74/59/263137459.db2.gz KOIBVTXPFLGBIP-MRXNPFEDSA-N 1 1 290.432 3.015 20 30 CGEDMO N#CCCOCC[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000293067953 263137770 /nfs/dbraw/zinc/13/77/70/263137770.db2.gz LQCYJDZTZFNEKO-CQSZACIVSA-N 1 1 262.353 3.127 20 30 CGEDMO CCc1ccc([C@H]2CC[N@@H+](C[C@@H](C#N)CCC#N)C2)cc1 ZINC000293398681 263139502 /nfs/dbraw/zinc/13/95/02/263139502.db2.gz RAQRJJBEZWSAMO-AEFFLSMTSA-N 1 1 281.403 3.482 20 30 CGEDMO C=CC(C)(C)CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000452774136 263146049 /nfs/dbraw/zinc/14/60/49/263146049.db2.gz KKFYVSQKQLPTAD-AWEZNQCLSA-N 1 1 294.826 3.271 20 30 CGEDMO C[N@@H+](CCOCCC#N)Cc1ccccc1C(F)(F)F ZINC000293671253 263146415 /nfs/dbraw/zinc/14/64/15/263146415.db2.gz ZMAXJBDDAZIAJE-UHFFFAOYSA-N 1 1 286.297 3.067 20 30 CGEDMO C[N@H+](Cc1ccc(F)cc1F)[C@H]1CC[C@H](C#N)C1 ZINC000293658170 263146514 /nfs/dbraw/zinc/14/65/14/263146514.db2.gz YLOWHCWQBDALQF-GWCFXTLKSA-N 1 1 250.292 3.089 20 30 CGEDMO C[N@@H+](Cc1ccc(F)cc1F)[C@H]1CC[C@H](C#N)C1 ZINC000293658170 263146515 /nfs/dbraw/zinc/14/65/15/263146515.db2.gz YLOWHCWQBDALQF-GWCFXTLKSA-N 1 1 250.292 3.089 20 30 CGEDMO Cc1cc(NC(=O)C2(C#N)CCCCC2)cn2cc[nH+]c12 ZINC000294017145 263154344 /nfs/dbraw/zinc/15/43/44/263154344.db2.gz YWLRQAGTINYNIO-UHFFFAOYSA-N 1 1 282.347 3.055 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@@H+]2CCc3cc(Cl)ccc3C2)C1 ZINC000294387030 263160785 /nfs/dbraw/zinc/16/07/85/263160785.db2.gz BUULEKPLLDCAPB-ABAIWWIYSA-N 1 1 260.768 3.390 20 30 CGEDMO C[N@@H+](CCC(C)(C)C#N)[C@H](CO)c1ccc(Cl)cc1 ZINC000296459644 263191871 /nfs/dbraw/zinc/19/18/71/263191871.db2.gz WZYCIGDVRLYSNL-CQSZACIVSA-N 1 1 280.799 3.245 20 30 CGEDMO C[N@@H+](CCOCCC#N)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000297379989 263204509 /nfs/dbraw/zinc/20/45/09/263204509.db2.gz AJYBGJRVTVAIKP-SJORKVTESA-N 1 1 272.392 3.185 20 30 CGEDMO C[C@@H](CCC#N)[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000298038761 263214124 /nfs/dbraw/zinc/21/41/24/263214124.db2.gz COICXTMZBSNDRD-LBPRGKRZSA-N 1 1 253.349 3.218 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000298038761 263214126 /nfs/dbraw/zinc/21/41/26/263214126.db2.gz COICXTMZBSNDRD-LBPRGKRZSA-N 1 1 253.349 3.218 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)[C@H](C)CCC#N ZINC000298048880 263214702 /nfs/dbraw/zinc/21/47/02/263214702.db2.gz HPFWTHZKVQLVMN-CQSZACIVSA-N 1 1 258.365 3.375 20 30 CGEDMO CCCCCCCCC(=O)NCCCn1cc[nH+]c1C ZINC000299040399 263229246 /nfs/dbraw/zinc/22/92/46/263229246.db2.gz UKIBZUOTPYCPEK-UHFFFAOYSA-N 1 1 279.428 3.448 20 30 CGEDMO C[C@@H](CCC#N)[N@@H+]1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000299452754 263242500 /nfs/dbraw/zinc/24/25/00/263242500.db2.gz ZIDOXOYNOQFYSE-WOSRLPQWSA-N 1 1 276.355 3.280 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000299452754 263242502 /nfs/dbraw/zinc/24/25/02/263242502.db2.gz ZIDOXOYNOQFYSE-WOSRLPQWSA-N 1 1 276.355 3.280 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)CCSC)cc1 ZINC000340663951 263259501 /nfs/dbraw/zinc/25/95/01/263259501.db2.gz YERSKJVNRZPCHQ-UHFFFAOYSA-N 1 1 251.395 3.046 20 30 CGEDMO C=CC[C@@H](CO)CNc1cc[nH+]c2cc(Cl)ccc12 ZINC000340894335 263312858 /nfs/dbraw/zinc/31/28/58/263312858.db2.gz XMJSMYLTNYDPKN-LLVKDONJSA-N 1 1 276.767 3.485 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1Cc2ccccc2C[C@H]1CC ZINC000342354945 263417064 /nfs/dbraw/zinc/41/70/64/263417064.db2.gz NIETYKORTHQEJY-SJORKVTESA-N 1 1 259.393 3.150 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)C(=O)N(CC)C1CCCCC1 ZINC000342767211 263493305 /nfs/dbraw/zinc/49/33/05/263493305.db2.gz YFOMSUHGEXUARZ-CQSZACIVSA-N 1 1 266.429 3.064 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000343267400 264279603 /nfs/dbraw/zinc/27/96/03/264279603.db2.gz JFFWVFMOWBQJTP-HOCLYGCPSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000129401225 264323226 /nfs/dbraw/zinc/32/32/26/264323226.db2.gz JWBPSHFTMFGTTI-QZTJIDSGSA-N 1 1 288.435 3.217 20 30 CGEDMO C=CCCC[N@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000077318155 264351098 /nfs/dbraw/zinc/35/10/98/264351098.db2.gz DBTAOLOQJYPSHX-UHFFFAOYSA-N 1 1 271.364 3.177 20 30 CGEDMO C=CCOc1ccc(C[N@H+](CCO)[C@H]2CC[C@@H](C)C2)cc1 ZINC000356366759 266102586 /nfs/dbraw/zinc/10/25/86/266102586.db2.gz NSMOUAIQACULLA-WBVHZDCISA-N 1 1 289.419 3.234 20 30 CGEDMO N#CC1(C[N@@H+]2CCC[C@H]2/C=C/c2ccccc2)CC1 ZINC000356376930 266105560 /nfs/dbraw/zinc/10/55/60/266105560.db2.gz WMADXDKMGZIIKN-FDMDGMSGSA-N 1 1 252.361 3.468 20 30 CGEDMO N#CC1(C[N@H+]2CCC[C@H]2/C=C/c2ccccc2)CC1 ZINC000356376930 266105561 /nfs/dbraw/zinc/10/55/61/266105561.db2.gz WMADXDKMGZIIKN-FDMDGMSGSA-N 1 1 252.361 3.468 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356409166 266109245 /nfs/dbraw/zinc/10/92/45/266109245.db2.gz JMTUOKABOKLGLH-UHFFFAOYSA-N 1 1 254.255 3.195 20 30 CGEDMO CCN(CC)[C@@H](C[NH2+]Cc1cccc(C#N)c1)CC(C)C ZINC000236848234 266119076 /nfs/dbraw/zinc/11/90/76/266119076.db2.gz XNLDDCUXSABFLI-GOSISDBHSA-N 1 1 287.451 3.404 20 30 CGEDMO C[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(C#N)cc1F ZINC000524970491 270116316 /nfs/dbraw/zinc/11/63/16/270116316.db2.gz HHGUEIPWUAOKIB-AWEZNQCLSA-N 1 1 298.361 3.080 20 30 CGEDMO C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1F ZINC000524970491 270116317 /nfs/dbraw/zinc/11/63/17/270116317.db2.gz HHGUEIPWUAOKIB-AWEZNQCLSA-N 1 1 298.361 3.080 20 30 CGEDMO C=CC[N@@H+](CC(=O)N[C@@H](CCC)c1ccccc1)C1CC1 ZINC000357555506 266323859 /nfs/dbraw/zinc/32/38/59/266323859.db2.gz UTMMVMWYNLRSRP-KRWDZBQOSA-N 1 1 286.419 3.294 20 30 CGEDMO C=CC[N@H+](CC(=O)N[C@@H](CCC)c1ccccc1)C1CC1 ZINC000357555506 266323861 /nfs/dbraw/zinc/32/38/61/266323861.db2.gz UTMMVMWYNLRSRP-KRWDZBQOSA-N 1 1 286.419 3.294 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1C ZINC000357744169 266354232 /nfs/dbraw/zinc/35/42/32/266354232.db2.gz HIVCFJWVRVVHIS-IYBDPMFKSA-N 1 1 286.419 3.061 20 30 CGEDMO C=C[C@@H](C)NC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000362615956 267023691 /nfs/dbraw/zinc/02/36/91/267023691.db2.gz VJDSSVMBDKTYBM-CQSZACIVSA-N 1 1 274.408 3.221 20 30 CGEDMO C=CCC[N@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000363108576 267075623 /nfs/dbraw/zinc/07/56/23/267075623.db2.gz FZTLGAWZTIXENQ-CQSZACIVSA-N 1 1 283.318 3.237 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000368497954 267177337 /nfs/dbraw/zinc/17/73/37/267177337.db2.gz CRKHNJIYZYGAEC-INIZCTEOSA-N 1 1 264.413 3.209 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000368763967 267203183 /nfs/dbraw/zinc/20/31/83/267203183.db2.gz XCTGDYKRBWQLTO-CQSZACIVSA-N 1 1 272.392 3.067 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000368763967 267203186 /nfs/dbraw/zinc/20/31/86/267203186.db2.gz XCTGDYKRBWQLTO-CQSZACIVSA-N 1 1 272.392 3.067 20 30 CGEDMO C=CC[N@@H+](Cc1nnc2n1CCCC2)CC1CCCCC1 ZINC000369232300 267227311 /nfs/dbraw/zinc/22/73/11/267227311.db2.gz UXFJATVOEDZICZ-UHFFFAOYSA-N 1 1 288.439 3.183 20 30 CGEDMO C=CC[N@H+](Cc1nnc2n1CCCC2)CC1CCCCC1 ZINC000369232300 267227316 /nfs/dbraw/zinc/22/73/16/267227316.db2.gz UXFJATVOEDZICZ-UHFFFAOYSA-N 1 1 288.439 3.183 20 30 CGEDMO C#CC[N@H+](C)[C@@H](c1ccc(Cl)cc1)C1CCOCC1 ZINC000369291303 267232522 /nfs/dbraw/zinc/23/25/22/267232522.db2.gz YCDFGTXPPFSTBI-INIZCTEOSA-N 1 1 277.795 3.373 20 30 CGEDMO CCCOc1ccc(C[NH2+]CC2(C#N)CCC2)cc1OC ZINC000418141108 267361778 /nfs/dbraw/zinc/36/17/78/267361778.db2.gz KONFDQNTDMCWAP-UHFFFAOYSA-N 1 1 288.391 3.267 20 30 CGEDMO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000528769812 270171753 /nfs/dbraw/zinc/17/17/53/270171753.db2.gz STXLZITYHKKJQB-SNVBAGLBSA-N 1 1 268.282 3.317 20 30 CGEDMO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000528769812 270171754 /nfs/dbraw/zinc/17/17/54/270171754.db2.gz STXLZITYHKKJQB-SNVBAGLBSA-N 1 1 268.282 3.317 20 30 CGEDMO CCCCCCCC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000375293396 267844502 /nfs/dbraw/zinc/84/45/02/267844502.db2.gz SFTPMZUMWDNJGO-UHFFFAOYSA-N 1 1 277.412 3.196 20 30 CGEDMO C=CC[C@H](C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000376936616 268031574 /nfs/dbraw/zinc/03/15/74/268031574.db2.gz DRUNULDYIXHUEE-KSZLIROESA-N 1 1 298.430 3.089 20 30 CGEDMO N#Cc1ccc(NC[C@H]2CC[N@H+]2C2CCCC2)c(F)c1 ZINC000528212974 268249894 /nfs/dbraw/zinc/24/98/94/268249894.db2.gz ZEGJMCUVFUIWGN-CQSZACIVSA-N 1 1 273.355 3.126 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1cnccn1 ZINC000411162836 276001778 /nfs/dbraw/zinc/00/17/78/276001778.db2.gz DPTCKKUWTBOYNQ-AWEZNQCLSA-N 1 1 280.375 3.321 20 30 CGEDMO CCC[C@]1(CO)CC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000288899709 276053705 /nfs/dbraw/zinc/05/37/05/276053705.db2.gz SMCGGPZADUYIHW-YOEHRIQHSA-N 1 1 272.392 3.104 20 30 CGEDMO CC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)[C@@H](C)C(C)C ZINC000129700496 276087038 /nfs/dbraw/zinc/08/70/38/276087038.db2.gz JUWUSYAQYHSFMG-LBPRGKRZSA-N 1 1 291.395 3.073 20 30 CGEDMO CCCC[C@H](C[NH3+])N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000423303438 276243038 /nfs/dbraw/zinc/24/30/38/276243038.db2.gz XBWRFNJHFBLWSF-SJLPKXTDSA-N 1 1 285.435 3.433 20 30 CGEDMO C[N@@H+]1Cc2ccccc2[C@H](Nc2cccc(F)c2C#N)C1 ZINC000378271249 277213246 /nfs/dbraw/zinc/21/32/46/277213246.db2.gz MCVFJHXVHWBFNM-QGZVFWFLSA-N 1 1 281.334 3.296 20 30 CGEDMO COc1cccc2c1CC[N@@H+](CCC(C)(C)C#N)CC2 ZINC000347137520 278027724 /nfs/dbraw/zinc/02/77/24/278027724.db2.gz WEYYSOCIJACGDT-UHFFFAOYSA-N 1 1 272.392 3.036 20 30 CGEDMO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@H]1CCc2ccc(C#N)cc21 ZINC000353413504 278258643 /nfs/dbraw/zinc/25/86/43/278258643.db2.gz PVSQHVNVQKWBNW-VCBZYWHSSA-N 1 1 297.446 3.256 20 30 CGEDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)N[C@H]1CCc2ccc(C#N)cc21 ZINC000353413504 278258644 /nfs/dbraw/zinc/25/86/44/278258644.db2.gz PVSQHVNVQKWBNW-VCBZYWHSSA-N 1 1 297.446 3.256 20 30 CGEDMO C[C@H](CN[C@@H]1CCc2ccc(C#N)cc21)C[NH+]1CCCCC1 ZINC000353383238 279350517 /nfs/dbraw/zinc/35/05/17/279350517.db2.gz IREXUOUCHMDGAR-DNVCBOLYSA-N 1 1 297.446 3.257 20 30 CGEDMO Cc1ccccc1[C@@H]([C@@H](C)[NH2+]Cc1ccc(C#N)o1)N(C)C ZINC000443008759 281361365 /nfs/dbraw/zinc/36/13/65/281361365.db2.gz HDWCJMLLROSHLG-RDTXWAMCSA-N 1 1 297.402 3.241 20 30 CGEDMO C[N@H+]1CCN(c2cccc(F)c2C#N)[C@H](c2ccccc2)C1 ZINC000301137312 290058110 /nfs/dbraw/zinc/05/81/10/290058110.db2.gz BXKZBAKWIXXUDA-SFHVURJKSA-N 1 1 295.361 3.190 20 30 CGEDMO COc1ccccc1/C=C\C[N@H+](C)CC(C)(C)C#N ZINC000354019458 295347362 /nfs/dbraw/zinc/34/73/62/295347362.db2.gz YPNGYHXQRWLDAJ-CLFYSBASSA-N 1 1 258.365 3.190 20 30 CGEDMO COc1ccccc1/C=C\C[N@@H+](C)CC(C)(C)C#N ZINC000354019458 295347363 /nfs/dbraw/zinc/34/73/63/295347363.db2.gz YPNGYHXQRWLDAJ-CLFYSBASSA-N 1 1 258.365 3.190 20 30 CGEDMO N#Cc1cccc(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)c1 ZINC000123449342 303203260 /nfs/dbraw/zinc/20/32/60/303203260.db2.gz CTLMBGVMEMZCNS-SFHVURJKSA-N 1 1 284.403 3.482 20 30 CGEDMO Cc1cc(NC[C@@H](C)C#N)c2cc(OC(F)F)ccc2[nH+]1 ZINC000541007385 328038772 /nfs/dbraw/zinc/03/87/72/328038772.db2.gz XOTMMCKOGXYQDK-VIFPVBQESA-N 1 1 291.301 3.138 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000412056931 328101743 /nfs/dbraw/zinc/10/17/43/328101743.db2.gz PUYZEZXUMPOXLI-HOTGVXAUSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@](C)(C(=O)OC)C1 ZINC000412082730 328102896 /nfs/dbraw/zinc/10/28/96/328102896.db2.gz XTNAZLUNGBSZBY-UKRRQHHQSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@@H]1CN1CCCCC1 ZINC000571511040 328129405 /nfs/dbraw/zinc/12/94/05/328129405.db2.gz LTTMMZUIXLXDMZ-MRXNPFEDSA-N 1 1 250.430 3.293 20 30 CGEDMO C=CCCCCN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000571511040 328129407 /nfs/dbraw/zinc/12/94/07/328129407.db2.gz LTTMMZUIXLXDMZ-MRXNPFEDSA-N 1 1 250.430 3.293 20 30 CGEDMO C[C@H](C#N)C[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000269023453 328188916 /nfs/dbraw/zinc/18/89/16/328188916.db2.gz ZTRIMCMTENNLJU-CYBMUJFWSA-N 1 1 255.365 3.079 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000269023453 328188917 /nfs/dbraw/zinc/18/89/17/328188917.db2.gz ZTRIMCMTENNLJU-CYBMUJFWSA-N 1 1 255.365 3.079 20 30 CGEDMO N#CCC[N@H+](Cc1cccc2cc[nH]c21)CC1CC1 ZINC000271178120 328195532 /nfs/dbraw/zinc/19/55/32/328195532.db2.gz VJBDSWCNVLAGTN-UHFFFAOYSA-N 1 1 253.349 3.294 20 30 CGEDMO C[C@H](c1ccsc1)[NH+]1CCN(CCC(C)(C)C#N)CC1 ZINC000274186581 328209097 /nfs/dbraw/zinc/20/90/97/328209097.db2.gz PXHMLYIXMQZRQB-CQSZACIVSA-N 1 1 291.464 3.367 20 30 CGEDMO N#CCCOCC[N@@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000293557963 328276731 /nfs/dbraw/zinc/27/67/31/328276731.db2.gz RSMYTZISZRJOMG-OAHLLOKOSA-N 1 1 292.810 3.277 20 30 CGEDMO C[C@@]1(Cc2ccccc2)CCC[N@H+]1CCOCCC#N ZINC000294363078 328280638 /nfs/dbraw/zinc/28/06/38/328280638.db2.gz ASZVOPRUVNSYCH-KRWDZBQOSA-N 1 1 272.392 3.014 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000340586349 328295145 /nfs/dbraw/zinc/29/51/45/328295145.db2.gz SGCGWKRTURJLHZ-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO Cc1cc(SCC[C@H]2CCC[N@@H+]2C)ccc1C#N ZINC000563535209 322001949 /nfs/dbraw/zinc/00/19/49/322001949.db2.gz QJHJBQOMFDTGOU-CQSZACIVSA-N 1 1 260.406 3.443 20 30 CGEDMO CC1(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)CC1 ZINC000566655071 322133035 /nfs/dbraw/zinc/13/30/35/322133035.db2.gz PJBGKEZRWLHBTJ-UHFFFAOYSA-N 1 1 252.361 3.447 20 30 CGEDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567986916 322186879 /nfs/dbraw/zinc/18/68/79/322186879.db2.gz IYYQYRMIWFFDLK-SMDDNHRTSA-N 1 1 273.336 3.229 20 30 CGEDMO CC(C)=CC[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000569527026 322249578 /nfs/dbraw/zinc/24/95/78/322249578.db2.gz HVEBGZFPJFIJDO-UHFFFAOYSA-N 1 1 289.810 3.300 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1cc2c(cc1SC)OCCO2 ZINC000127326480 328480262 /nfs/dbraw/zinc/48/02/62/328480262.db2.gz DQFLZFSZOQXCBK-UHFFFAOYSA-N 1 1 285.796 3.022 20 30 CGEDMO C=CCC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000294029657 328546763 /nfs/dbraw/zinc/54/67/63/328546763.db2.gz VNHLWTGSIVPFNX-UHFFFAOYSA-N 1 1 294.351 3.001 20 30 CGEDMO C[N@@H+](CCCSCC#N)Cc1ccccc1Cl ZINC000074980598 327122344 /nfs/dbraw/zinc/12/23/44/327122344.db2.gz GPNPQPWUUFXTFF-UHFFFAOYSA-N 1 1 268.813 3.419 20 30 CGEDMO C=CCOCC[N@H+]1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000559144703 327142942 /nfs/dbraw/zinc/14/29/42/327142942.db2.gz SUHJDCMUOWZUMX-QGZVFWFLSA-N 1 1 299.418 3.303 20 30 CGEDMO C=CCOCC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000559144703 327142943 /nfs/dbraw/zinc/14/29/43/327142943.db2.gz SUHJDCMUOWZUMX-QGZVFWFLSA-N 1 1 299.418 3.303 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@]3(C2)CCc2ccccc2O3)C1 ZINC000559247787 327150087 /nfs/dbraw/zinc/15/00/87/327150087.db2.gz IMVYCKNUMKSHFP-KYJSFNMBSA-N 1 1 282.387 3.148 20 30 CGEDMO CCC[C@@H]1[C@H](C)CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000578334746 327317499 /nfs/dbraw/zinc/31/74/99/327317499.db2.gz WUONBJYBYXIUHX-CZUORRHYSA-N 1 1 257.381 3.354 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000560630228 327332151 /nfs/dbraw/zinc/33/21/51/327332151.db2.gz WLLVRYMFTCPNAG-MOPGFXCFSA-N 1 1 299.414 3.395 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000560630228 327332152 /nfs/dbraw/zinc/33/21/52/327332152.db2.gz WLLVRYMFTCPNAG-MOPGFXCFSA-N 1 1 299.414 3.395 20 30 CGEDMO Cc1ccc2oc(C[NH2+]C[C@@H](C#N)CCC#N)cc2c1 ZINC000582191936 328624143 /nfs/dbraw/zinc/62/41/43/328624143.db2.gz RIHZCFSAANWFNJ-CYBMUJFWSA-N 1 1 267.332 3.274 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)Cc1ccc2c(c1)OCCO2 ZINC000173539063 329148854 /nfs/dbraw/zinc/14/88/54/329148854.db2.gz HGMQHLZXUNYFSL-UHFFFAOYSA-N 1 1 288.391 3.220 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)Cc1ccc2c(c1)OCCO2 ZINC000173539063 329148856 /nfs/dbraw/zinc/14/88/56/329148856.db2.gz HGMQHLZXUNYFSL-UHFFFAOYSA-N 1 1 288.391 3.220 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000181284115 329229465 /nfs/dbraw/zinc/22/94/65/329229465.db2.gz CHZGIXDPWHHQHL-SNVBAGLBSA-N 1 1 284.762 3.314 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000181284115 329229467 /nfs/dbraw/zinc/22/94/67/329229467.db2.gz CHZGIXDPWHHQHL-SNVBAGLBSA-N 1 1 284.762 3.314 20 30 CGEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1sc(C)c(C)c1C ZINC000181333687 329231967 /nfs/dbraw/zinc/23/19/67/329231967.db2.gz HWHQPFZIGYPKDV-UHFFFAOYSA-N 1 1 266.410 3.120 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)Nc1sc(C)c(C)c1C ZINC000181333687 329231968 /nfs/dbraw/zinc/23/19/68/329231968.db2.gz HWHQPFZIGYPKDV-UHFFFAOYSA-N 1 1 266.410 3.120 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cccc(C(=O)NCC(C)C)c1 ZINC000181333423 329232049 /nfs/dbraw/zinc/23/20/49/329232049.db2.gz PJJFZIDVXJPNDZ-UHFFFAOYSA-N 1 1 274.408 3.080 20 30 CGEDMO CC1(C#N)CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000227521119 329326990 /nfs/dbraw/zinc/32/69/90/329326990.db2.gz JSQMCIIYCFYGAF-UHFFFAOYSA-N 1 1 250.292 3.090 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCCC3(CC3)C2)cc1 ZINC000186625052 329346815 /nfs/dbraw/zinc/34/68/15/329346815.db2.gz AEKBBBJIHIRLEY-AWEZNQCLSA-N 1 1 270.376 3.353 20 30 CGEDMO C=CCOCCC[N@H+](C)[C@H](C)Cc1cccc(F)c1 ZINC000459754028 329381623 /nfs/dbraw/zinc/38/16/23/329381623.db2.gz DPFFUMOMOGAAOG-CQSZACIVSA-N 1 1 265.372 3.281 20 30 CGEDMO C=CCC1(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000190230960 329393682 /nfs/dbraw/zinc/39/36/82/329393682.db2.gz GDEHQNBBTHPPNQ-UHFFFAOYSA-N 1 1 298.430 3.077 20 30 CGEDMO C=CC1CC[NH+](Cc2nc(-c3ccsc3)no2)CC1 ZINC000111260281 329540877 /nfs/dbraw/zinc/54/08/77/329540877.db2.gz SDTDBQAJRJJHNQ-UHFFFAOYSA-N 1 1 275.377 3.196 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000309539848 329665948 /nfs/dbraw/zinc/66/59/48/329665948.db2.gz XYVNHYMUAJODMV-UHFFFAOYSA-N 1 1 299.599 3.496 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000274783186 330107813 /nfs/dbraw/zinc/10/78/13/330107813.db2.gz PRZCCTSPEOIQIC-CYBMUJFWSA-N 1 1 281.421 3.049 20 30 CGEDMO C[C@@H]1CCC[C@@H]([NH+]2CCC(N[C@@H]3CC[C@H](C#N)C3)CC2)C1 ZINC000424337099 330343507 /nfs/dbraw/zinc/34/35/07/330343507.db2.gz YWBGMGRVNUDPBI-CYGHRXIMSA-N 1 1 289.467 3.311 20 30 CGEDMO CC(C)CO[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000120000975 330384439 /nfs/dbraw/zinc/38/44/39/330384439.db2.gz JMWMBDYASZVDRS-QGZVFWFLSA-N 1 1 291.822 3.438 20 30 CGEDMO CC[C@](C)(O)C[N@@H+](Cc1ccccc1)CC1(C#N)CCC1 ZINC000450829872 331001651 /nfs/dbraw/zinc/00/16/51/331001651.db2.gz QZRCKFFBSDDLHK-KRWDZBQOSA-N 1 1 286.419 3.343 20 30 CGEDMO C=C[C@H]1CCCCN1C[C@@H]1CCCC[N@@H+]1C(C)C ZINC000450883251 331004603 /nfs/dbraw/zinc/00/46/03/331004603.db2.gz PJTQHZIXLYDGQO-HOTGVXAUSA-N 1 1 250.430 3.290 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1C[C@@H]1CCCCN1C(C)C ZINC000450883251 331004604 /nfs/dbraw/zinc/00/46/04/331004604.db2.gz PJTQHZIXLYDGQO-HOTGVXAUSA-N 1 1 250.430 3.290 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCCN1C(C)C ZINC000450883251 331004605 /nfs/dbraw/zinc/00/46/05/331004605.db2.gz PJTQHZIXLYDGQO-HOTGVXAUSA-N 1 1 250.430 3.290 20 30 CGEDMO C=CCCCCC[N@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000451205646 331020578 /nfs/dbraw/zinc/02/05/78/331020578.db2.gz CWZVOLQINFPZTR-UHFFFAOYSA-N 1 1 286.419 3.496 20 30 CGEDMO N#CC1(C[NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)CC1 ZINC000451313373 331024088 /nfs/dbraw/zinc/02/40/88/331024088.db2.gz WABNYCRGDCWGJV-ZDUSSCGKSA-N 1 1 298.308 3.022 20 30 CGEDMO CCO[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1C ZINC000451526836 331032659 /nfs/dbraw/zinc/03/26/59/331032659.db2.gz HBZILEHACDMTFF-RHSMWYFYSA-N 1 1 291.822 3.438 20 30 CGEDMO CCO[C@H]1CC[N@@H+](CCCCC(C)(C)C#N)C[C@@H]1C ZINC000451551053 331033937 /nfs/dbraw/zinc/03/39/37/331033937.db2.gz XKNVCHUQDSCUIE-GJZGRUSLSA-N 1 1 266.429 3.453 20 30 CGEDMO CO[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1C ZINC000451574181 331035001 /nfs/dbraw/zinc/03/50/01/331035001.db2.gz RIVCYJROXVDLMQ-BBRMVZONSA-N 1 1 277.795 3.048 20 30 CGEDMO C[C@@H]1CN(Cc2ccccc2)CC[N@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000451705265 331039806 /nfs/dbraw/zinc/03/98/06/331039806.db2.gz IEKDCLDEBGYELP-BHIYHBOVSA-N 1 1 297.446 3.133 20 30 CGEDMO C[C@H]1CN([C@@H]2CC[C@@H](C#N)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000451705265 331039807 /nfs/dbraw/zinc/03/98/07/331039807.db2.gz IEKDCLDEBGYELP-BHIYHBOVSA-N 1 1 297.446 3.133 20 30 CGEDMO C[C@H]1CN([C@@H]2CC[C@@H](C#N)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000451705265 331039808 /nfs/dbraw/zinc/03/98/08/331039808.db2.gz IEKDCLDEBGYELP-BHIYHBOVSA-N 1 1 297.446 3.133 20 30 CGEDMO Cc1ccc(C[NH2+]CC(C)(C)C#N)cc1Br ZINC000163667751 331067618 /nfs/dbraw/zinc/06/76/18/331067618.db2.gz RFQFGDZAONSNHA-UHFFFAOYSA-N 1 1 281.197 3.397 20 30 CGEDMO C=CCCC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000452735007 331074692 /nfs/dbraw/zinc/07/46/92/331074692.db2.gz WTVWFISCKSKTMK-UHFFFAOYSA-N 1 1 286.419 3.124 20 30 CGEDMO CC(C)[C@H]([NH2+]C1CCC(C)(C#N)CC1)C(=O)OC(C)(C)C ZINC000453178471 331097539 /nfs/dbraw/zinc/09/75/39/331097539.db2.gz VGNCCSCSOQWPOX-UUCFBXCCSA-N 1 1 294.439 3.415 20 30 CGEDMO CC(C)OC(=O)[C@@H]([NH2+]C1CCC(C)(C#N)CC1)C(C)C ZINC000453322483 331116568 /nfs/dbraw/zinc/11/65/68/331116568.db2.gz SOQSPTVIXLBHEJ-BBBYJDLNSA-N 1 1 280.412 3.025 20 30 CGEDMO N#C[C@@H]1CCC[C@@H]([N@H+]2CCC[C@@]3(CCSC3)C2)C1 ZINC000453375886 331124733 /nfs/dbraw/zinc/12/47/33/331124733.db2.gz ULTKCRGCCSSRDB-RBSFLKMASA-N 1 1 264.438 3.288 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000464565700 331362746 /nfs/dbraw/zinc/36/27/46/331362746.db2.gz AFYXYFBLNMLIPE-CYBMUJFWSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CCOc1ccccc1CN1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000488530505 332015791 /nfs/dbraw/zinc/01/57/91/332015791.db2.gz CZNNHMQJCVNTGT-KRWDZBQOSA-N 1 1 288.435 3.023 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000489288769 332045454 /nfs/dbraw/zinc/04/54/54/332045454.db2.gz HYVVIAGVTICBOQ-KRWDZBQOSA-N 1 1 261.409 3.268 20 30 CGEDMO COCC[N@@H+](CCCC(C)(C)C#N)Cc1scnc1C ZINC000489474755 332054015 /nfs/dbraw/zinc/05/40/15/332054015.db2.gz KXRAYKNRLOKKHN-UHFFFAOYSA-N 1 1 295.452 3.230 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1F ZINC000489466762 332054192 /nfs/dbraw/zinc/05/41/92/332054192.db2.gz YXLLDURGHOVASJ-ZDUSSCGKSA-N 1 1 276.355 3.195 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(C(=O)OC)sc1C ZINC000489517300 332057874 /nfs/dbraw/zinc/05/78/74/332057874.db2.gz UMVOSPQNECSSJD-CYBMUJFWSA-N 1 1 279.405 3.384 20 30 CGEDMO C#C[C@H](C)[N@H+](C)C/C(C)=C/c1ccccc1COC ZINC000491072551 332146855 /nfs/dbraw/zinc/14/68/55/332146855.db2.gz STDGVNFDLMIGQO-GOFCXVBSSA-N 1 1 257.377 3.190 20 30 CGEDMO C#CC[NH+]1CCC(c2nc([C@@H]3CCC[C@@H](C)C3)no2)CC1 ZINC000491451024 332213395 /nfs/dbraw/zinc/21/33/95/332213395.db2.gz DCCFFEWIAQZTEP-UKRRQHHQSA-N 1 1 287.407 3.176 20 30 CGEDMO C#C[C@@H]([NH2+][C@@H]1CCSC1)c1ccc(Cl)cc1F ZINC000491741378 332320291 /nfs/dbraw/zinc/32/02/91/332320291.db2.gz ZDZQRZZRSABWBB-ZWNOBZJWSA-N 1 1 269.772 3.249 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1cnc(-c2cccs2)s1 ZINC000491767116 332334956 /nfs/dbraw/zinc/33/49/56/332334956.db2.gz GITLWLGXUMGASR-JTQLQIEISA-N 1 1 262.403 3.325 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1cnc(-c2cccs2)s1 ZINC000491767116 332334957 /nfs/dbraw/zinc/33/49/57/332334957.db2.gz GITLWLGXUMGASR-JTQLQIEISA-N 1 1 262.403 3.325 20 30 CGEDMO Cc1[nH+]cc(CNc2cccc(OCCCC#N)c2)n1C ZINC000569001718 334850585 /nfs/dbraw/zinc/85/05/85/334850585.db2.gz IPEGPSYBSNFBNF-UHFFFAOYSA-N 1 1 284.363 3.023 20 30 CGEDMO C=CCN(CC=C)Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000505865313 332755704 /nfs/dbraw/zinc/75/57/04/332755704.db2.gz ZWEOTCALOSFAKG-UHFFFAOYSA-N 1 1 299.462 3.003 20 30 CGEDMO C=CCCCC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000175332035 333021842 /nfs/dbraw/zinc/02/18/42/333021842.db2.gz LTKBSSPXXGBHFP-IYBDPMFKSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCCCC[NH2+]Cc1cn(-c2ccncc2)nc1C ZINC000516784580 333082438 /nfs/dbraw/zinc/08/24/38/333082438.db2.gz NPQOQJISJMAJKL-UHFFFAOYSA-N 1 1 284.407 3.412 20 30 CGEDMO C=C(CC)C[NH2+][C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000517057829 333091145 /nfs/dbraw/zinc/09/11/45/333091145.db2.gz VCVSZFCKQWZQCZ-LBPRGKRZSA-N 1 1 287.363 3.362 20 30 CGEDMO CC#CCCCC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000185253340 333137688 /nfs/dbraw/zinc/13/76/88/333137688.db2.gz HNJLOMVUQNJQEX-IYBDPMFKSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCCC[C@@H]1CC ZINC000523557897 333333131 /nfs/dbraw/zinc/33/31/31/333333131.db2.gz FTNJOILQXDULIA-HNNXBMFYSA-N 1 1 266.429 3.066 20 30 CGEDMO CC(C)(C#N)CCCC[N@@H+](CCO)C1CCCCC1 ZINC000232526958 333337972 /nfs/dbraw/zinc/33/79/72/333337972.db2.gz WEJFMMWRBKCWSZ-UHFFFAOYSA-N 1 1 266.429 3.333 20 30 CGEDMO COC(=O)C[N@@H+](CCCCC(C)(C)C#N)C1CCCC1 ZINC000234514050 333360563 /nfs/dbraw/zinc/36/05/63/333360563.db2.gz DDRORSVBYMYOAZ-UHFFFAOYSA-N 1 1 280.412 3.124 20 30 CGEDMO CCC(CC)C[N@H+](CCC#N)CCOC(C)(C)C ZINC000173549753 335136319 /nfs/dbraw/zinc/13/63/19/335136319.db2.gz BWCJJTYJZZJUQP-UHFFFAOYSA-N 1 1 254.418 3.453 20 30 CGEDMO COc1ccc(C(C)(C)[NH2+]CC2(C#N)CCC2)cc1F ZINC000528681144 333452187 /nfs/dbraw/zinc/45/21/87/333452187.db2.gz ZEGQNCXBFINMOR-UHFFFAOYSA-N 1 1 276.355 3.353 20 30 CGEDMO C=CC[C@H](CC)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000546693774 334046659 /nfs/dbraw/zinc/04/66/59/334046659.db2.gz YKNAORUQIPNPRP-AWEZNQCLSA-N 1 1 266.429 3.112 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000134059660 334079117 /nfs/dbraw/zinc/07/91/17/334079117.db2.gz HXZWDUWSCIDVAE-KGLIPLIRSA-N 1 1 282.428 3.188 20 30 CGEDMO C=C[C@@H](CC(=O)NCC[N@H+](C)CCCC)c1ccccc1 ZINC000134421442 334090243 /nfs/dbraw/zinc/09/02/43/334090243.db2.gz JTJPVJTVUJGVFV-INIZCTEOSA-N 1 1 288.435 3.194 20 30 CGEDMO C[N@H+](CC#Cc1ccccc1)CCc1cccc([N+](=O)[O-])c1 ZINC000549169524 334186916 /nfs/dbraw/zinc/18/69/16/334186916.db2.gz XHKHSAVQNIPXQH-UHFFFAOYSA-N 1 1 294.354 3.121 20 30 CGEDMO C=CCOCC[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000549612494 334199795 /nfs/dbraw/zinc/19/97/95/334199795.db2.gz SRNYZGVBHHEDOY-NSHDSACASA-N 1 1 265.319 3.099 20 30 CGEDMO C=CCOCC[N@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000549861073 334206681 /nfs/dbraw/zinc/20/66/81/334206681.db2.gz XCCKILGGUURJKL-RDJZCZTQSA-N 1 1 259.393 3.315 20 30 CGEDMO C=CCCC[C@@H](C)NC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000245642376 334209864 /nfs/dbraw/zinc/20/98/64/334209864.db2.gz DTHIKYKMRVEHCZ-HZPDHXFCSA-N 1 1 295.471 3.151 20 30 CGEDMO CC[N@H+](CCC#N)Cc1cccc(Br)c1C ZINC000090551539 334363502 /nfs/dbraw/zinc/36/35/02/334363502.db2.gz SMMCCPRBMXUYBC-UHFFFAOYSA-N 1 1 281.197 3.493 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1cccc(Br)c1C ZINC000090551539 334363503 /nfs/dbraw/zinc/36/35/03/334363503.db2.gz SMMCCPRBMXUYBC-UHFFFAOYSA-N 1 1 281.197 3.493 20 30 CGEDMO COc1ccc(C[C@H](C)C[N@@H+](C)C[C@H](C#N)CCC#N)cc1 ZINC000090620361 334365349 /nfs/dbraw/zinc/36/53/49/334365349.db2.gz OFTSSNZQZKVFJX-RDJZCZTQSA-N 1 1 299.418 3.249 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2cc(C(C)=O)no2)CCCC1(C)C ZINC000576357826 335194049 /nfs/dbraw/zinc/19/40/49/335194049.db2.gz UFMBQBZUAFXLAP-HNNXBMFYSA-N 1 1 276.380 3.444 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000576536788 335216861 /nfs/dbraw/zinc/21/68/61/335216861.db2.gz AQRPSAHCLRHWCV-BXUZGUMPSA-N 1 1 289.379 3.396 20 30 CGEDMO CC[N@@H+](Cc1ccncc1)Cc1ccc(CC#N)cc1 ZINC000343754844 335219004 /nfs/dbraw/zinc/21/90/04/335219004.db2.gz WYPPBJFEJJPNPN-UHFFFAOYSA-N 1 1 265.360 3.170 20 30 CGEDMO CC(C)(C)[N@H+]1CCCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000576564501 335219053 /nfs/dbraw/zinc/21/90/53/335219053.db2.gz JQJARNTXXDLDEY-UHFFFAOYSA-N 1 1 289.398 3.004 20 30 CGEDMO C=CCCCCN1CC[N@H+](C)C2(CCCCC2)C1 ZINC000577623209 335380825 /nfs/dbraw/zinc/38/08/25/335380825.db2.gz INLPIWKRBFGNJZ-UHFFFAOYSA-N 1 1 250.430 3.293 20 30 CGEDMO C=CCCCC[N@H+]1CCN(C)C2(CCCCC2)C1 ZINC000577623209 335380827 /nfs/dbraw/zinc/38/08/27/335380827.db2.gz INLPIWKRBFGNJZ-UHFFFAOYSA-N 1 1 250.430 3.293 20 30 CGEDMO C=CCCCC[N@@H+]1CCN(C)C2(CCCCC2)C1 ZINC000577623209 335380828 /nfs/dbraw/zinc/38/08/28/335380828.db2.gz INLPIWKRBFGNJZ-UHFFFAOYSA-N 1 1 250.430 3.293 20 30 CGEDMO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cc2n(n1)CCC2 ZINC000577995082 335450778 /nfs/dbraw/zinc/45/07/78/335450778.db2.gz YLSZWJUGQLLUMS-STQMWFEESA-N 1 1 280.375 3.113 20 30 CGEDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1ccc(Cl)cc1C#N ZINC000386596487 336176528 /nfs/dbraw/zinc/17/65/28/336176528.db2.gz KGKZAFMZRTZJCX-LLVKDONJSA-N 1 1 265.788 3.352 20 30 CGEDMO C[C@H]1CC[C@]2(CC[N@@H+](Cc3cnc4ccc(C#N)cn34)C2)C1 ZINC000368086554 533774129 /nfs/dbraw/zinc/77/41/29/533774129.db2.gz QNXACZFPALAVCL-KSSFIOAISA-N 1 1 294.402 3.218 20 30 CGEDMO C[C@H](CC[N@@H+](C)[C@@H](C)CC#N)OCc1ccccc1 ZINC000354850476 533895182 /nfs/dbraw/zinc/89/51/82/533895182.db2.gz MEFFOTVCZOLBIO-LSDHHAIUSA-N 1 1 260.381 3.216 20 30 CGEDMO C[C@H](C[N@@H+](C)Cc1ccc(CC#N)cc1)c1nccs1 ZINC000344341788 534021975 /nfs/dbraw/zinc/02/19/75/534021975.db2.gz YURLZHOPSWJMCN-CYBMUJFWSA-N 1 1 285.416 3.445 20 30 CGEDMO C[C@@H](CO)[N@@H+](CCCCC(C)(C)C#N)C1CCCC1 ZINC000347199629 534126606 /nfs/dbraw/zinc/12/66/06/534126606.db2.gz NAZMTTICNNFWET-AWEZNQCLSA-N 1 1 266.429 3.332 20 30 CGEDMO C[C@@H]1CC[C@@]2(CC[N@@H+](CC(=O)Nc3ccc(C#N)cc3)C2)C1 ZINC000359541869 534205093 /nfs/dbraw/zinc/20/50/93/534205093.db2.gz DULBOYZWRYPVTM-RDTXWAMCSA-N 1 1 297.402 3.009 20 30 CGEDMO CC1(C)C[N@H+](Cc2ccc(C#N)s2)[C@H]1[C@H]1CCCO1 ZINC000291516337 520477557 /nfs/dbraw/zinc/47/75/57/520477557.db2.gz ISJHIBWPAUSVNU-KGLIPLIRSA-N 1 1 276.405 3.009 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)s2)[C@H]1[C@H]1CCCO1 ZINC000291516337 520477563 /nfs/dbraw/zinc/47/75/63/520477563.db2.gz ISJHIBWPAUSVNU-KGLIPLIRSA-N 1 1 276.405 3.009 20 30 CGEDMO Cc1occc1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000334595377 534571011 /nfs/dbraw/zinc/57/10/11/534571011.db2.gz DCUIGJZKBZMTIS-UHFFFAOYSA-N 1 1 281.359 3.040 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)CC1CCCC1 ZINC000064020643 522680673 /nfs/dbraw/zinc/68/06/73/522680673.db2.gz ZYNQBAXVLTZETP-UHFFFAOYSA-N 1 1 285.391 3.009 20 30 CGEDMO C[C@H](C[N@@H+](C)Cc1ccc(F)c(C#N)c1)c1nccs1 ZINC000183957001 524295907 /nfs/dbraw/zinc/29/59/07/524295907.db2.gz JXCMLRBFVHUNCH-LLVKDONJSA-N 1 1 289.379 3.389 20 30 CGEDMO C[C@@H]1CC[C@H](C)C[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000088704560 524649738 /nfs/dbraw/zinc/64/97/38/524649738.db2.gz FUFZWVSNAKXJEV-UONOGXRCSA-N 1 1 285.391 3.007 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1ccc2c(c1)OCCO2 ZINC000352699547 526326802 /nfs/dbraw/zinc/32/68/02/526326802.db2.gz ARDCZEYVJZATNL-UHFFFAOYSA-N 1 1 299.370 3.282 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OCC)c(OC)c1)C1CC1 ZINC000350262837 526341433 /nfs/dbraw/zinc/34/14/33/526341433.db2.gz IYQLHPLQOJLSHK-UHFFFAOYSA-N 1 1 261.365 3.244 20 30 CGEDMO C=CC[NH+]1CCC(N[C@@H](c2ccc(F)cn2)C(C)C)CC1 ZINC000353546177 526452105 /nfs/dbraw/zinc/45/21/05/526452105.db2.gz OKUXDIXWARWSOR-QGZVFWFLSA-N 1 1 291.414 3.158 20 30 CGEDMO C=CCOCCC[N@H+](C)Cc1ccccc1Cl ZINC000347963545 526747771 /nfs/dbraw/zinc/74/77/71/526747771.db2.gz CUEUUJCOOKBRQF-UHFFFAOYSA-N 1 1 253.773 3.365 20 30 CGEDMO Cc1nc(C[NH2+][C@H](C)c2ccc(C#N)cc2)sc1C ZINC000094965504 526893457 /nfs/dbraw/zinc/89/34/57/526893457.db2.gz IQMVKGJQGQDILY-LLVKDONJSA-N 1 1 271.389 3.482 20 30 CGEDMO C=CCCCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000344457116 527226460 /nfs/dbraw/zinc/22/64/60/527226460.db2.gz LWGAJTCDTGZVDX-QGZVFWFLSA-N 1 1 286.419 3.124 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000352823792 527607258 /nfs/dbraw/zinc/60/72/58/527607258.db2.gz LGNQQJSSPNTOIZ-INIZCTEOSA-N 1 1 298.430 3.413 20 30 CGEDMO CC(C)CC[C@H](O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425540507 527850978 /nfs/dbraw/zinc/85/09/78/527850978.db2.gz VOOKSILSJGCVPH-PBHICJAKSA-N 1 1 274.408 3.348 20 30 CGEDMO CC[N@@H+](CC(=O)Nc1sccc1C#N)C1CC(C)(C)C1 ZINC000412036349 527929404 /nfs/dbraw/zinc/92/94/04/527929404.db2.gz LSTSLYUHTYQPMA-UHFFFAOYSA-N 1 1 291.420 3.069 20 30 CGEDMO CCC[N@@H+](CC)C[C@H](C)Nc1nc(C)cc(C)c1C#N ZINC000357775702 528000385 /nfs/dbraw/zinc/00/03/85/528000385.db2.gz QRTOGJCYAMTUOH-AWEZNQCLSA-N 1 1 274.412 3.102 20 30 CGEDMO CC1=CCC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000436262350 528103417 /nfs/dbraw/zinc/10/34/17/528103417.db2.gz DSRFLGUMGFUAEM-UHFFFAOYSA-N 1 1 291.192 3.473 20 30 CGEDMO CC1=CCC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000436262350 528103421 /nfs/dbraw/zinc/10/34/21/528103421.db2.gz DSRFLGUMGFUAEM-UHFFFAOYSA-N 1 1 291.192 3.473 20 30 CGEDMO CCC[N@@H+](CCc1cncs1)Cc1ccc(C#N)cc1 ZINC000411165788 528116968 /nfs/dbraw/zinc/11/69/68/528116968.db2.gz KQCMHYXYUPYTDU-UHFFFAOYSA-N 1 1 285.416 3.469 20 30 CGEDMO CC(C)CO[C@H]1CC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000120195681 528141416 /nfs/dbraw/zinc/14/14/16/528141416.db2.gz XKXSSAMSCPDVAT-INIZCTEOSA-N 1 1 297.402 3.058 20 30 CGEDMO CC(C)CO[C@H]1CC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000120195681 528141421 /nfs/dbraw/zinc/14/14/21/528141421.db2.gz XKXSSAMSCPDVAT-INIZCTEOSA-N 1 1 297.402 3.058 20 30 CGEDMO CCCO[C@H]1CCC[N@H+](Cc2cccc(F)c2C#N)CC1 ZINC000428224522 528610308 /nfs/dbraw/zinc/61/03/08/528610308.db2.gz ABRWZZAZJQOKPU-HNNXBMFYSA-N 1 1 290.382 3.478 20 30 CGEDMO CCCO[C@H]1CCC[N@@H+](Cc2cccc(F)c2C#N)CC1 ZINC000428224522 528610310 /nfs/dbraw/zinc/61/03/10/528610310.db2.gz ABRWZZAZJQOKPU-HNNXBMFYSA-N 1 1 290.382 3.478 20 30 CGEDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1cccc(Cl)c1C#N ZINC000311122970 528829248 /nfs/dbraw/zinc/82/92/48/528829248.db2.gz YCHMUGOIRSSYSR-LLVKDONJSA-N 1 1 265.788 3.352 20 30 CGEDMO CCCCCCNC(=O)[C@H]1CCC[N@@H+](CCCCC#N)C1 ZINC000726598678 572587554 /nfs/dbraw/zinc/58/75/54/572587554.db2.gz DJAWOMFAUNZEDE-INIZCTEOSA-N 1 1 293.455 3.089 20 30 CGEDMO CC(C)C[N@H+](CCC#N)C[C@@H](O)c1cccc(Cl)c1 ZINC000743251222 572643961 /nfs/dbraw/zinc/64/39/61/572643961.db2.gz OSBSPELZWVCLJJ-OAHLLOKOSA-N 1 1 280.799 3.245 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)C[C@@H](O)c1cccc(Cl)c1 ZINC000743251222 572643964 /nfs/dbraw/zinc/64/39/64/572643964.db2.gz OSBSPELZWVCLJJ-OAHLLOKOSA-N 1 1 280.799 3.245 20 30 CGEDMO C=CC[N@H+](CN1C(=O)[C@H](C)[C@@H]1c1ccccc1)C(C)C ZINC000743349968 572650045 /nfs/dbraw/zinc/65/00/45/572650045.db2.gz GYDRXZLCDDNJKD-GDBMZVCRSA-N 1 1 272.392 3.060 20 30 CGEDMO C=CC[N@@H+](CN1C(=O)[C@H](C)[C@@H]1c1ccccc1)C(C)C ZINC000743349968 572650047 /nfs/dbraw/zinc/65/00/47/572650047.db2.gz GYDRXZLCDDNJKD-GDBMZVCRSA-N 1 1 272.392 3.060 20 30 CGEDMO C#Cc1cccc(NC(=O)C[N@H+](C)CCC(C)(C)CC)c1 ZINC000743841362 572686743 /nfs/dbraw/zinc/68/67/43/572686743.db2.gz JNECMHZFHGUCAL-UHFFFAOYSA-N 1 1 286.419 3.365 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735305071 572714296 /nfs/dbraw/zinc/71/42/96/572714296.db2.gz PVJNSEKFZKZVTB-GFCCVEGCSA-N 1 1 278.783 3.474 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000735413381 572717395 /nfs/dbraw/zinc/71/73/95/572717395.db2.gz SXTUMVIOUITPIV-CYBMUJFWSA-N 1 1 285.395 3.216 20 30 CGEDMO C=CCCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000735412658 572717858 /nfs/dbraw/zinc/71/78/58/572717858.db2.gz HECJDYDWIMIQAG-UHFFFAOYSA-N 1 1 285.395 3.043 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCSCC#N)Cc2ccccc21 ZINC000745982649 572846909 /nfs/dbraw/zinc/84/69/09/572846909.db2.gz WHEAWPVJMOWAKO-CYBMUJFWSA-N 1 1 260.406 3.253 20 30 CGEDMO C#CC[N@@H+](CC)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000746457587 572872060 /nfs/dbraw/zinc/87/20/60/572872060.db2.gz KEPCQHSXBPCIHX-UHFFFAOYSA-N 1 1 299.201 3.277 20 30 CGEDMO CC[N@H+](CC#Cc1ccc(F)cc1)CCc1ccccn1 ZINC000747669602 572940350 /nfs/dbraw/zinc/94/03/50/572940350.db2.gz QVIZSIKJMCZQIE-UHFFFAOYSA-N 1 1 282.362 3.137 20 30 CGEDMO C[N@@H+](CCCC#N)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000749801820 573040173 /nfs/dbraw/zinc/04/01/73/573040173.db2.gz WMLYPGCVYNTDMP-UHFFFAOYSA-N 1 1 295.427 3.058 20 30 CGEDMO C=CCCCCC[N@H+](C)CN1C(=O)[C@H]2CCCCC[C@@H]21 ZINC000749955929 573068271 /nfs/dbraw/zinc/06/82/71/573068271.db2.gz VJRXZDPAUSTUPC-HOTGVXAUSA-N 1 1 278.440 3.413 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[N@H+](C[C@H](C)CC)CC1 ZINC000981741004 613240514 /nfs/dbraw/zinc/24/05/14/613240514.db2.gz MLNIESIJAPOOHV-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)CC2CCC2)CC1 ZINC000948257899 613256549 /nfs/dbraw/zinc/25/65/49/613256549.db2.gz SKCGOFVLQNLJIB-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2(C)CC(=C)C2)C[C@@H]1C ZINC000947702104 613265454 /nfs/dbraw/zinc/26/54/54/613265454.db2.gz JOLPXPABKQBJDX-JKSUJKDBSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2(F)CCCC2)[C@H](C)C1 ZINC000942201540 613265481 /nfs/dbraw/zinc/26/54/81/613265481.db2.gz XJMRIPPNBORRQL-HUUCEWRRSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)C2(C)CC=CC2)C(C)(C)C1 ZINC000975012006 613276899 /nfs/dbraw/zinc/27/68/99/613276899.db2.gz LXWITEGMCMOMPA-HNNXBMFYSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)C2(C)CCC(C)CC2)C1 ZINC000980515406 613283109 /nfs/dbraw/zinc/28/31/09/613283109.db2.gz MBQQABGMPYVANR-UPTPFMHGSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2cc(C)cc(C)c2)C1 ZINC000980265513 613290815 /nfs/dbraw/zinc/29/08/15/613290815.db2.gz OCTZZXRZZWEBNH-KRWDZBQOSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[C@H]2CC)CC1 ZINC000983386822 613309650 /nfs/dbraw/zinc/30/96/50/613309650.db2.gz AAUOJNDBHNREQT-IAGOWNOFSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)/C(C)=C/C)C1 ZINC000963281002 613314391 /nfs/dbraw/zinc/31/43/91/613314391.db2.gz GKMXLJVUXQMKTL-KZIQZQBPSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)C2(C)CC=CC2)CC1 ZINC000948746278 613314488 /nfs/dbraw/zinc/31/44/88/613314488.db2.gz CIQQESCRTTXOEE-INIZCTEOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)cs2)[C@H](C)C1 ZINC000942030523 613328906 /nfs/dbraw/zinc/32/89/06/613328906.db2.gz YQVVDKGIERTPSX-ZIAGYGMSSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2C)[C@H](C)C1 ZINC000941767100 613329873 /nfs/dbraw/zinc/32/98/73/613329873.db2.gz DSRJODKOHPKIJP-NVXWUHKLSA-N 1 1 286.419 3.011 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C23CCC(CC2)C3)C[C@H]1C ZINC000947450291 613334715 /nfs/dbraw/zinc/33/47/15/613334715.db2.gz RKBQSLLRPNNARD-CTMQZQKCSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2(C)CCCC2)C[C@H]1C ZINC000947583883 613334727 /nfs/dbraw/zinc/33/47/27/613334727.db2.gz ATBHRKGGBBYWKP-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)CC2CC(C)(C)C2)[C@@H](C)C1 ZINC000942577453 613334943 /nfs/dbraw/zinc/33/49/43/613334943.db2.gz KRXZRTJMOKAHGS-HOCLYGCPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2CCC=CCC2)C[C@H]1C ZINC000948047904 613335003 /nfs/dbraw/zinc/33/50/03/613335003.db2.gz MIILPRIEGSDOKF-WBVHZDCISA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C2CCCCCC2)C(C)(C)C1 ZINC000972852589 613337511 /nfs/dbraw/zinc/33/75/11/613337511.db2.gz YEFNJAWINORLHD-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C[C@H]2C=CCCC2)C(C)(C)C1 ZINC000974720296 613338025 /nfs/dbraw/zinc/33/80/25/613338025.db2.gz MLWRCQKSUIGJBK-JKSUJKDBSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)CC)C[C@@]2(C)C1 ZINC000982491399 613340319 /nfs/dbraw/zinc/34/03/19/613340319.db2.gz IRJYDOBGIDLMGB-HDICACEKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)C(C)C)C[C@@]2(C)C1 ZINC000982609238 613340455 /nfs/dbraw/zinc/34/04/55/613340455.db2.gz FXKWPOJOUHCXQO-RYQLBKOJSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C1CC(C)(C(=O)N(C)[C@@H]2CCC[N@H+](C(C)C)CC2)C1 ZINC000948758284 613392929 /nfs/dbraw/zinc/39/29/29/613392929.db2.gz CGEGIPGOBSFPMH-OAHLLOKOSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C1CC(C)(C(=O)N(C)[C@H]2CCC[N@@H+](CC3CC3)CC2)C1 ZINC000948753814 613393084 /nfs/dbraw/zinc/39/30/84/613393084.db2.gz PRUFOGJIUIMHSX-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](CCC(C)C)C[C@H]2C)C1 ZINC000942608153 613397604 /nfs/dbraw/zinc/39/76/04/613397604.db2.gz PZZCVOFTLBDJDS-HZPDHXFCSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CCC(C)C)C[C@@H]2C)C1 ZINC000942608152 613401013 /nfs/dbraw/zinc/40/10/13/613401013.db2.gz PZZCVOFTLBDJDS-HOTGVXAUSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)[C@@H](C)C2)CC1 ZINC000947690242 613409992 /nfs/dbraw/zinc/40/99/92/613409992.db2.gz SNFNEDIRIPTGFC-WMLDXEAASA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C1CC(C)(C)C1 ZINC000968847022 613489729 /nfs/dbraw/zinc/48/97/29/613489729.db2.gz SBTZFIYZSRLIBB-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)c2c(C)cccc2C)CC1 ZINC000982017580 613496707 /nfs/dbraw/zinc/49/67/07/613496707.db2.gz NFYCWKDOOCIOHL-UHFFFAOYSA-N 1 1 286.419 3.027 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)C2(C)CCCC2)CC1 ZINC000948655979 613499681 /nfs/dbraw/zinc/49/96/81/613499681.db2.gz QNDKLPCDGUCQQH-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCC)C1 ZINC000963245578 613500287 /nfs/dbraw/zinc/50/02/87/613500287.db2.gz YIPZAZAWXJUJGS-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC2CC2)C1 ZINC000963246500 613501450 /nfs/dbraw/zinc/50/14/50/613501450.db2.gz IGNSWTVBDGBUOO-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[N@H+](C[C@@H](C)CC)CC1 ZINC000981887327 613501897 /nfs/dbraw/zinc/50/18/97/613501897.db2.gz AOPFVMFYPIPCON-DOTOQJQBSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)CC2CCCC2)C(C)(C)C1 ZINC000940547612 613520147 /nfs/dbraw/zinc/52/01/47/613520147.db2.gz GGUKUIDCYDPZOD-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC)o2)C[C@@H]1C ZINC000947460528 613524052 /nfs/dbraw/zinc/52/40/52/613524052.db2.gz VGCOVYYBGYFORV-UONOGXRCSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccsc2C)C[C@@H]1C ZINC000947280500 613525612 /nfs/dbraw/zinc/52/56/12/613525612.db2.gz BLDMYHLXUBGSCE-GXTWGEPZSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CC2=CCCCC2)C[C@@H]1C ZINC000947142291 613534613 /nfs/dbraw/zinc/53/46/13/613534613.db2.gz AQYGVXFPRLFKOZ-RDJZCZTQSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CC2CC(C)(C)C2)C[C@@H]1C ZINC000947653345 613534900 /nfs/dbraw/zinc/53/49/00/613534900.db2.gz MFRJQDSZYKZHGL-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C(C)(C)C2CCC2)C(C)(C)C1 ZINC000974873539 613553054 /nfs/dbraw/zinc/55/30/54/613553054.db2.gz URQCUXHYWHJZFR-HNNXBMFYSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)C2CCCCC2)C1 ZINC000972507076 613626374 /nfs/dbraw/zinc/62/63/74/613626374.db2.gz PZIGDIRDTLMSCR-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+]1CCCCC[C@H]1CNC(=O)C1=CCCCCC1 ZINC000968832003 613685681 /nfs/dbraw/zinc/68/56/81/613685681.db2.gz TWJGVLDQZUKHBK-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccoc1Cl ZINC000968832196 613686966 /nfs/dbraw/zinc/68/69/66/613686966.db2.gz UXCMRZFKVUVMCY-LBPRGKRZSA-N 1 1 296.798 3.093 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)[C@H](CC)CC2CCCC2)CC1 ZINC000982071688 613693575 /nfs/dbraw/zinc/69/35/75/613693575.db2.gz HXJUZVJUCZPKCW-QGZVFWFLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)C[C@@H]2CC=CCC2)CC1 ZINC000948681506 613700799 /nfs/dbraw/zinc/70/07/99/613700799.db2.gz ZFZAGPLSPJGBKF-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@]2(C)CC=CCC2)CC1 ZINC000948405367 613704491 /nfs/dbraw/zinc/70/44/91/613704491.db2.gz SPKSJUQGNVMIAE-WMZOPIPTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)C2CCCC2)C1 ZINC000966778940 613727545 /nfs/dbraw/zinc/72/75/45/613727545.db2.gz BQVKIJWTJXHCQD-ZBFHGGJFSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC000968566783 613729097 /nfs/dbraw/zinc/72/90/97/613729097.db2.gz XXBLOYFEERVWRB-VQHPVUNQSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)C2CCC(C)(C)CC2)[C@@H](C)C1 ZINC000945338243 613741892 /nfs/dbraw/zinc/74/18/92/613741892.db2.gz ZEZPJEWOBFWJKK-GOEBONIOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)cs2)C(C)(C)C1 ZINC000940731394 613749620 /nfs/dbraw/zinc/74/96/20/613749620.db2.gz SWMOIJGHELRIPX-CQSZACIVSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2occc2C(C)C)[C@@H](C)C1 ZINC000942577599 613763149 /nfs/dbraw/zinc/76/31/49/613763149.db2.gz MTKGLFDUQHBVHR-DZGCQCFKSA-N 1 1 290.407 3.029 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C(CC)CC)C2)C1 ZINC000961143582 613766634 /nfs/dbraw/zinc/76/66/34/613766634.db2.gz ONWSUHFGCCGQSR-DLBZAZTESA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C=C)cc2)C[C@@H]1C ZINC000947736203 613789908 /nfs/dbraw/zinc/78/99/08/613789908.db2.gz VDDCKHQTXHIDPG-YOEHRIQHSA-N 1 1 284.403 3.098 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C)c2)C(C)(C)C1 ZINC000940547043 613791125 /nfs/dbraw/zinc/79/11/25/613791125.db2.gz DHOIEGLZIMAPPU-INIZCTEOSA-N 1 1 286.419 3.011 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)c2csc(Cl)c2)[C@H](C)C1 ZINC000943332837 613799439 /nfs/dbraw/zinc/79/94/39/613799439.db2.gz FNHVIDXJWKNTJD-PWSUYJOCSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC=CCCC2)C(C)(C)C1 ZINC000974726371 613808439 /nfs/dbraw/zinc/80/84/39/613808439.db2.gz AJJMQGCKZJYYBW-JKSUJKDBSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccc(F)cc2)no1 ZINC000899992983 620743272 /nfs/dbraw/zinc/74/32/72/620743272.db2.gz ADXIMTRVYRZZIY-LBPRGKRZSA-N 1 1 261.300 3.232 20 30 CGEDMO N#Cc1ccc([C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000306607434 617711204 /nfs/dbraw/zinc/71/12/04/617711204.db2.gz UDWQHCXIFBEKHZ-GOSISDBHSA-N 1 1 278.355 3.132 20 30 CGEDMO N#Cc1ccc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000306607434 617711209 /nfs/dbraw/zinc/71/12/09/617711209.db2.gz UDWQHCXIFBEKHZ-GOSISDBHSA-N 1 1 278.355 3.132 20 30 CGEDMO C#CCON=C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000812234174 617739885 /nfs/dbraw/zinc/73/98/85/617739885.db2.gz SOZMSZNGESFBFR-UHFFFAOYSA-N 1 1 270.376 3.067 20 30 CGEDMO CC[N@@H+](CCCSCC#N)[C@H](C)[C@H](O)c1ccccc1 ZINC000812853176 617860672 /nfs/dbraw/zinc/86/06/72/617860672.db2.gz OITBOJZHMLIHOB-ZBFHGGJFSA-N 1 1 292.448 3.077 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C=C(C)C)C1 ZINC001021510800 618017344 /nfs/dbraw/zinc/01/73/44/618017344.db2.gz KQRULJXKCRCAPV-LSDHHAIUSA-N 1 1 296.842 3.018 20 30 CGEDMO C#CCCCN1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000933546637 618240455 /nfs/dbraw/zinc/24/04/55/618240455.db2.gz GQTFETJYTURPHP-UHFFFAOYSA-N 1 1 296.458 3.487 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@H]1CCC2(CCC2)CO1 ZINC000933770462 618320253 /nfs/dbraw/zinc/32/02/53/618320253.db2.gz OEDNQEILHPGCMU-CQSZACIVSA-N 1 1 290.432 3.401 20 30 CGEDMO C=CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000121627842 618376821 /nfs/dbraw/zinc/37/68/21/618376821.db2.gz ZWTWRFFOWMFBQZ-ZDUSSCGKSA-N 1 1 268.360 3.285 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000121627842 618376831 /nfs/dbraw/zinc/37/68/31/618376831.db2.gz ZWTWRFFOWMFBQZ-ZDUSSCGKSA-N 1 1 268.360 3.285 20 30 CGEDMO COCCCC1(C[N@@H+](CCC#N)CC2CC2)CCC1 ZINC000891933905 618393904 /nfs/dbraw/zinc/39/39/04/618393904.db2.gz OMFUECSRDAPLLM-UHFFFAOYSA-N 1 1 264.413 3.209 20 30 CGEDMO N#CCOc1ccc(C[N@@H+](Cc2ccoc2)C2CC2)cc1 ZINC000934004864 618419503 /nfs/dbraw/zinc/41/95/03/618419503.db2.gz RZVMXLHTCISTNP-UHFFFAOYSA-N 1 1 282.343 3.347 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1cccc(C(=O)NCC(C)C)c1 ZINC000934469527 618626565 /nfs/dbraw/zinc/62/65/65/618626565.db2.gz VJNIAQUXXPVNNY-QGZVFWFLSA-N 1 1 286.419 3.223 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1CC(=O)Nc1c(CC)cccc1CC ZINC000934471448 618627451 /nfs/dbraw/zinc/62/74/51/618627451.db2.gz JOONFTGJNGGZDS-MRXNPFEDSA-N 1 1 286.419 3.400 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1CC(=O)Nc1c(CC)cccc1CC ZINC000934471448 618627453 /nfs/dbraw/zinc/62/74/53/618627453.db2.gz JOONFTGJNGGZDS-MRXNPFEDSA-N 1 1 286.419 3.400 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1[C@H](C)C(=O)Nc1cccc(SC)c1 ZINC000934472641 618628653 /nfs/dbraw/zinc/62/86/53/618628653.db2.gz OTZOOUUJVBMEFN-OCCSQVGLSA-N 1 1 290.432 3.386 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1cccc(SC)c1 ZINC000934472641 618628656 /nfs/dbraw/zinc/62/86/56/618628656.db2.gz OTZOOUUJVBMEFN-OCCSQVGLSA-N 1 1 290.432 3.386 20 30 CGEDMO C=C(Br)C[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000176929117 618761309 /nfs/dbraw/zinc/76/13/09/618761309.db2.gz KCIZDDTUUVVPKY-QWRGUYRKSA-N 1 1 276.243 3.255 20 30 CGEDMO C=C(Br)C[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000176929117 618761314 /nfs/dbraw/zinc/76/13/14/618761314.db2.gz KCIZDDTUUVVPKY-QWRGUYRKSA-N 1 1 276.243 3.255 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[C@H]1CC ZINC001018120499 618893245 /nfs/dbraw/zinc/89/32/45/618893245.db2.gz UPJFSRALIMPFIG-WCXIOVBPSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[C@H]1CC ZINC001018120499 618893246 /nfs/dbraw/zinc/89/32/46/618893246.db2.gz UPJFSRALIMPFIG-WCXIOVBPSA-N 1 1 290.451 3.064 20 30 CGEDMO CCC[N@@H+](CCN1CCCC1)CC1CCC(C#N)CC1 ZINC000930456537 618994404 /nfs/dbraw/zinc/99/44/04/618994404.db2.gz VJAKRKCRSJMZQB-UHFFFAOYSA-N 1 1 277.456 3.124 20 30 CGEDMO N#CC1CCC(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)CC1 ZINC000930528227 619010400 /nfs/dbraw/zinc/01/04/00/619010400.db2.gz WMIYPEJBVIRHNH-PIMMBPRGSA-N 1 1 292.814 3.113 20 30 CGEDMO C=C(Cl)C[N@H+](Cc1ccccc1)CC(C)(C)O ZINC000180221956 619014076 /nfs/dbraw/zinc/01/40/76/619014076.db2.gz QDHBHCWVMRTYTM-UHFFFAOYSA-N 1 1 253.773 3.012 20 30 CGEDMO C=C(Cl)C[N@@H+](Cc1ccccc1)CC(C)(C)O ZINC000180221956 619014078 /nfs/dbraw/zinc/01/40/78/619014078.db2.gz QDHBHCWVMRTYTM-UHFFFAOYSA-N 1 1 253.773 3.012 20 30 CGEDMO CO[C@@H]1CC[N@@H+](CCCCC2(C#N)CCC2)C[C@@H]1C ZINC000930641159 619042425 /nfs/dbraw/zinc/04/24/25/619042425.db2.gz WGURXORIZVPVNA-LSDHHAIUSA-N 1 1 264.413 3.207 20 30 CGEDMO C[C@H](C[N@@H+](C)CC1CCC(C#N)CC1)C(=O)OC(C)(C)C ZINC000930706595 619064045 /nfs/dbraw/zinc/06/40/45/619064045.db2.gz UMGXEIDJBBNPEU-WLYUNCDWSA-N 1 1 294.439 3.226 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000931064034 619107715 /nfs/dbraw/zinc/10/77/15/619107715.db2.gz YYNBWHXETVRLBE-OUAUKWLOSA-N 1 1 299.283 3.118 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC3(CCCC3)C2)c1F ZINC000311369998 619141968 /nfs/dbraw/zinc/14/19/68/619141968.db2.gz IFHKYFKVEYGTNI-UHFFFAOYSA-N 1 1 258.340 3.463 20 30 CGEDMO CCCCCCCC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000248247437 619142878 /nfs/dbraw/zinc/14/28/78/619142878.db2.gz HQPJXSHIKKKBBL-CQSZACIVSA-N 1 1 280.412 3.359 20 30 CGEDMO CC[C@@H]1C[C@H]1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000931332451 619148545 /nfs/dbraw/zinc/14/85/45/619148545.db2.gz FSOIZIOSPDTVBE-CJNGLKHVSA-N 1 1 254.377 3.157 20 30 CGEDMO C[C@@H](C#N)Oc1ccccc1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000893472849 619186824 /nfs/dbraw/zinc/18/68/24/619186824.db2.gz PKAITCOUGIUCIV-AVOUXACISA-N 1 1 285.391 3.015 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@H]2CSC)cc1 ZINC000093761246 619214897 /nfs/dbraw/zinc/21/48/97/619214897.db2.gz TZMVLAPCRBGMIU-HNNXBMFYSA-N 1 1 275.417 3.026 20 30 CGEDMO C[C@H](C#N)C[NH2+]Cc1cccc(Oc2ccccn2)c1 ZINC000893543365 619215032 /nfs/dbraw/zinc/21/50/32/619215032.db2.gz AJSVXXZPCWSANU-CYBMUJFWSA-N 1 1 267.332 3.123 20 30 CGEDMO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1cc(N)ccn1 ZINC000925767476 619228269 /nfs/dbraw/zinc/22/82/69/619228269.db2.gz PPBNZAPJQMVQLP-GOSISDBHSA-N 1 1 292.386 3.093 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1 ZINC000931753030 619249096 /nfs/dbraw/zinc/24/90/96/619249096.db2.gz PEHSVLPWLQHTIM-GDBMZVCRSA-N 1 1 290.794 3.213 20 30 CGEDMO CCN(CC)c1ccc(C=[NH+][N-]c2cc[nH+]cc2)cc1 ZINC000254708356 619397711 /nfs/dbraw/zinc/39/77/11/619397711.db2.gz CRVLOBSBNGIAEW-UHFFFAOYSA-N 1 1 268.364 3.374 20 30 CGEDMO C=CCc1cc(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c(O)c(OC)c1 ZINC000178894773 619438438 /nfs/dbraw/zinc/43/84/38/619438438.db2.gz BNWYBVOGVBDQQW-GASCZTMLSA-N 1 1 287.403 3.217 20 30 CGEDMO CO[C@@H]1CC[C@@H](C)[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000879324406 619493776 /nfs/dbraw/zinc/49/37/76/619493776.db2.gz HPBKHZAEEQICEK-HUUCEWRRSA-N 1 1 264.413 3.350 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1c(Cl)n[nH]c1C1CC1)C(C)(C)C ZINC000894518404 619561434 /nfs/dbraw/zinc/56/14/34/619561434.db2.gz ZYBMJPVFETUSLD-LLVKDONJSA-N 1 1 265.788 3.078 20 30 CGEDMO NC(CCc1ccccc1)=[NH+]OCc1ccc(F)cc1 ZINC000049322564 619733241 /nfs/dbraw/zinc/73/32/41/619733241.db2.gz RBVXYRVKVLLCDI-UHFFFAOYSA-N 1 1 272.323 3.247 20 30 CGEDMO C=CCCCN(CC)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000895618983 619859557 /nfs/dbraw/zinc/85/95/57/619859557.db2.gz PHLWIGIVBSFTJA-JKSUJKDBSA-N 1 1 293.455 3.001 20 30 CGEDMO C#CC[N@@H+](Cc1cc2cc(Cl)cnc2o1)C1CSC1 ZINC000895814522 619889605 /nfs/dbraw/zinc/88/96/05/619889605.db2.gz UWSLHBXPNDTMMA-UHFFFAOYSA-N 1 1 292.791 3.032 20 30 CGEDMO C#CC[N@H+](Cc1cc2cc(Cl)cnc2o1)C1CSC1 ZINC000895814522 619889607 /nfs/dbraw/zinc/88/96/07/619889607.db2.gz UWSLHBXPNDTMMA-UHFFFAOYSA-N 1 1 292.791 3.032 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3CC[C@@H]([C@@H]4CCCO4)C3)cc2)CC1 ZINC000895842564 619893111 /nfs/dbraw/zinc/89/31/11/619893111.db2.gz HHGKBHBCQONGJM-AEFFLSMTSA-N 1 1 296.414 3.243 20 30 CGEDMO C=CC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000896291800 619990295 /nfs/dbraw/zinc/99/02/95/619990295.db2.gz KALUKWHRQWVYJH-ROUUACIJSA-N 1 1 298.430 3.104 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000896506794 620019144 /nfs/dbraw/zinc/01/91/44/620019144.db2.gz YSVKOPPRPHEDPU-KRWDZBQOSA-N 1 1 283.419 3.412 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000896506794 620019147 /nfs/dbraw/zinc/01/91/47/620019147.db2.gz YSVKOPPRPHEDPU-KRWDZBQOSA-N 1 1 283.419 3.412 20 30 CGEDMO COc1ccc(N[NH+]=C(C)c2ccc(N)cc2)cc1 ZINC000750946375 620096912 /nfs/dbraw/zinc/09/69/12/620096912.db2.gz PZHNRJSQICDLOD-UHFFFAOYSA-N 1 1 255.321 3.114 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000007489311 620097571 /nfs/dbraw/zinc/09/75/71/620097571.db2.gz UDTKUAMJYZSYNO-UHFFFAOYSA-N 1 1 287.359 3.205 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)c2sccc2C)CC1 ZINC000985217073 620140620 /nfs/dbraw/zinc/14/06/20/620140620.db2.gz JJJQKTATOWUIGR-UHFFFAOYSA-N 1 1 292.448 3.169 20 30 CGEDMO C#Cc1ccc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000897136055 620150859 /nfs/dbraw/zinc/15/08/59/620150859.db2.gz GPKNDMMMNCKRFW-ZIAGYGMSSA-N 1 1 274.795 3.360 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)C2CCCCCC2)CC1 ZINC000985329046 620173247 /nfs/dbraw/zinc/17/32/47/620173247.db2.gz CFVXTOZVTIKLRD-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@H](C3CCOCC3)C2)cs1 ZINC000897271382 620176141 /nfs/dbraw/zinc/17/61/41/620176141.db2.gz KSPDWMHDRZMBPL-HNNXBMFYSA-N 1 1 290.432 3.258 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)C[C@H]2CCC[C@@H]2C)CC1 ZINC000985452585 620192025 /nfs/dbraw/zinc/19/20/25/620192025.db2.gz KJSCZFRPRYXAON-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)c2ccc(C3CC3)cc2)CC1 ZINC000985799089 620240050 /nfs/dbraw/zinc/24/00/50/620240050.db2.gz DCQDHZYLGIMKHX-UHFFFAOYSA-N 1 1 298.430 3.286 20 30 CGEDMO Cc1nc(F)ccc1C[N@H+](C)Cc1cc(C#N)cs1 ZINC000897624227 620411662 /nfs/dbraw/zinc/41/16/62/620411662.db2.gz CQBSXRTZNHJIQR-UHFFFAOYSA-N 1 1 275.352 3.094 20 30 CGEDMO Cc1nc(F)ccc1C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000897624227 620411665 /nfs/dbraw/zinc/41/16/65/620411665.db2.gz CQBSXRTZNHJIQR-UHFFFAOYSA-N 1 1 275.352 3.094 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cs1)Cc1cccc2c1OCC2 ZINC000897624629 620412189 /nfs/dbraw/zinc/41/21/89/620412189.db2.gz SCLMAGCDBGQOTB-UHFFFAOYSA-N 1 1 284.384 3.187 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1cccc2c1OCC2 ZINC000897624629 620412193 /nfs/dbraw/zinc/41/21/93/620412193.db2.gz SCLMAGCDBGQOTB-UHFFFAOYSA-N 1 1 284.384 3.187 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCN(c2ccccc2)[C@@H](C)C1 ZINC000898067517 620473878 /nfs/dbraw/zinc/47/38/78/620473878.db2.gz GHUGNQPTUZEFDQ-CVEARBPZSA-N 1 1 271.408 3.137 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1cnc(CCOC)s1 ZINC000898245168 620496498 /nfs/dbraw/zinc/49/64/98/620496498.db2.gz XLNXZLTWFCRSMO-UHFFFAOYSA-N 1 1 268.426 3.120 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000898244386 620496570 /nfs/dbraw/zinc/49/65/70/620496570.db2.gz IUDZYRJPBBVLAI-UHFFFAOYSA-N 1 1 259.353 3.057 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1cnc2onc(C)c2c1 ZINC000898245258 620496651 /nfs/dbraw/zinc/49/66/51/620496651.db2.gz ZEJWFURURQHPOB-UHFFFAOYSA-N 1 1 259.353 3.319 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)[C@H]2CC[C@H](CC)CC2)CC1 ZINC000989524553 620516484 /nfs/dbraw/zinc/51/64/84/620516484.db2.gz YSDDKTNIGZTGHL-QAQDUYKDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001007061122 620516884 /nfs/dbraw/zinc/51/68/84/620516884.db2.gz YCWGOFYGYCUWGK-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)c2ccc(C)cc2)CC1 ZINC000989547543 620516951 /nfs/dbraw/zinc/51/69/51/620516951.db2.gz GYQNWVPYXYWUKO-UHFFFAOYSA-N 1 1 286.419 3.109 20 30 CGEDMO C=C[C@H](C(=O)N1CCC[N@H+](CC(=C)C)CC1)c1ccccc1 ZINC000989717633 620522311 /nfs/dbraw/zinc/52/23/11/620522311.db2.gz HZHVXHDUKWRNMX-SFHVURJKSA-N 1 1 298.430 3.067 20 30 CGEDMO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902726694 621413903 /nfs/dbraw/zinc/41/39/03/621413903.db2.gz TUZFTDIRLJAZGC-OLZOCXBDSA-N 1 1 281.359 3.374 20 30 CGEDMO CC[C@H](NCCC[N@H+](C)C(C)C)c1cccc(C#N)c1 ZINC000902735579 621419318 /nfs/dbraw/zinc/41/93/18/621419318.db2.gz GGVHYYDVSBMTHZ-KRWDZBQOSA-N 1 1 273.424 3.329 20 30 CGEDMO CC[C@H](NCCC[N@@H+](C)C(C)C)c1cccc(C#N)c1 ZINC000902735579 621419322 /nfs/dbraw/zinc/41/93/22/621419322.db2.gz GGVHYYDVSBMTHZ-KRWDZBQOSA-N 1 1 273.424 3.329 20 30 CGEDMO CC[C@H]([NH2+]Cc1cscn1)c1cccc(C#N)c1 ZINC000902782285 621439008 /nfs/dbraw/zinc/43/90/08/621439008.db2.gz CHRSVXPZUAVCMJ-AWEZNQCLSA-N 1 1 257.362 3.256 20 30 CGEDMO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cc(C#N)ccn1 ZINC000902999338 621524546 /nfs/dbraw/zinc/52/45/46/621524546.db2.gz BGGGHSXCZYFYGF-NWDGAFQWSA-N 1 1 296.330 3.273 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CCC1)c1cc(F)cc(F)c1 ZINC000903032748 621535756 /nfs/dbraw/zinc/53/57/56/621535756.db2.gz WTOQFJCVXFHBPI-JTQLQIEISA-N 1 1 250.292 3.309 20 30 CGEDMO CC[C@@H]([NH2+]CC(C)(C)C#N)c1ccc(C(=O)OC)cc1 ZINC000903101141 621574067 /nfs/dbraw/zinc/57/40/67/621574067.db2.gz AVUMRGUQRDXNFB-CQSZACIVSA-N 1 1 274.364 3.064 20 30 CGEDMO CCCOc1ccc([C@H](C)[NH2+]CC2(C#N)CC2)cc1 ZINC000903101823 621575095 /nfs/dbraw/zinc/57/50/95/621575095.db2.gz NHSOAVLKOUPOQQ-ZDUSSCGKSA-N 1 1 258.365 3.430 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1ccc2c(c1)OCO2 ZINC000903107666 621581306 /nfs/dbraw/zinc/58/13/06/621581306.db2.gz AWQYKPRJDRVMFR-GFCCVEGCSA-N 1 1 272.348 3.150 20 30 CGEDMO CC[C@@H]([NH2+]Cc1nc(C#N)cs1)c1cccc(F)c1 ZINC000903262676 621647754 /nfs/dbraw/zinc/64/77/54/621647754.db2.gz GJFDSTYBAQBBCV-CYBMUJFWSA-N 1 1 275.352 3.395 20 30 CGEDMO C=C(C)CCc1noc(C[N@@H+](C)CC(C)(C)C)n1 ZINC000904069520 621867572 /nfs/dbraw/zinc/86/75/72/621867572.db2.gz MMMLMUIAMGWESU-UHFFFAOYSA-N 1 1 251.374 3.056 20 30 CGEDMO C=C(C)CCc1noc(C[N@H+](C)CC(C)(C)C)n1 ZINC000904069520 621867574 /nfs/dbraw/zinc/86/75/74/621867574.db2.gz MMMLMUIAMGWESU-UHFFFAOYSA-N 1 1 251.374 3.056 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccncc2CC)no1 ZINC000904615127 621946070 /nfs/dbraw/zinc/94/60/70/621946070.db2.gz ATLQYHLSXKBTBU-ZDUSSCGKSA-N 1 1 272.352 3.050 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc([C@H](C)SCC)no1 ZINC000904629421 621948757 /nfs/dbraw/zinc/94/87/57/621948757.db2.gz VRZSCWQIGKNNBU-VHSXEESVSA-N 1 1 255.387 3.240 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccc(Cl)o2)no1 ZINC000904692993 621958487 /nfs/dbraw/zinc/95/84/87/621958487.db2.gz TXBGWQFMORIMQR-QMMMGPOBSA-N 1 1 267.716 3.339 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(-c2c(C)nsc2C)no1 ZINC000904725056 621958756 /nfs/dbraw/zinc/95/87/56/621958756.db2.gz VSHUBFQUZMLOIY-JTQLQIEISA-N 1 1 278.381 3.166 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H](C)C3CCC3)CCC[C@@H]12 ZINC000991327651 622533765 /nfs/dbraw/zinc/53/37/65/622533765.db2.gz FINKWQVFDVULDQ-YXJHDRRASA-N 1 1 290.451 3.112 20 30 CGEDMO C=C1CCC(C(=O)N2CC[NH2+][C@@H](c3ccccc3C)C2)CC1 ZINC000913478659 622777582 /nfs/dbraw/zinc/77/75/82/622777582.db2.gz NCLLQBXPEBZKEE-GOSISDBHSA-N 1 1 298.430 3.214 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000045796824 622898798 /nfs/dbraw/zinc/89/87/98/622898798.db2.gz XEEXWVWKJUYWDE-SFHVURJKSA-N 1 1 267.372 3.408 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC2(CCCC2)C1 ZINC000174277148 623382905 /nfs/dbraw/zinc/38/29/05/623382905.db2.gz GXCOPCJTAXNCKO-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3ccc(C=C)cc3)CCC[C@H]12 ZINC000992289016 623504425 /nfs/dbraw/zinc/50/44/25/623504425.db2.gz URLJXKMAMOYUDI-PKOBYXMFSA-N 1 1 296.414 3.242 20 30 CGEDMO Cc1ccc(F)c(N=NC2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000759653596 623563810 /nfs/dbraw/zinc/56/38/10/623563810.db2.gz SHHHJAMDONLTAY-NSHDSACASA-N 1 1 261.344 3.159 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2sccc2C)[C@H]1C ZINC000992980020 623766908 /nfs/dbraw/zinc/76/69/08/623766908.db2.gz HSYCWWBYIPFMSS-ZIAGYGMSSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2cscc2C)[C@H]1C ZINC000993198946 623944493 /nfs/dbraw/zinc/94/44/93/623944493.db2.gz FWZHCUYPJWCVPU-HIFRSBDPSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C(C)=C2CCCC2)[C@H]1C ZINC000993209609 623966204 /nfs/dbraw/zinc/96/62/04/623966204.db2.gz ZZIPTCOOKOMGAK-WBVHZDCISA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C2=CCCC2)[C@H]1C ZINC000993236570 623994215 /nfs/dbraw/zinc/99/42/15/623994215.db2.gz SLYJAXGCBFWNMA-ZBFHGGJFSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C2=CCCCCC2)[C@H]1C ZINC000993290997 623998910 /nfs/dbraw/zinc/99/89/10/623998910.db2.gz BYUZBCHWKOSDAS-WBVHZDCISA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C(C)=C2CCC2)[C@@H]1C ZINC000993320022 624019662 /nfs/dbraw/zinc/01/96/62/624019662.db2.gz WWZICAOWRUPTMI-DOTOQJQBSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3occc3c2)[C@@H]1C ZINC000993386401 624039821 /nfs/dbraw/zinc/03/98/21/624039821.db2.gz VKAJVQJETSSYQJ-XJKSGUPXSA-N 1 1 298.386 3.202 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC)o2)[C@@H]1C ZINC000993500338 624052478 /nfs/dbraw/zinc/05/24/78/624052478.db2.gz SIQHSPBNUXBVML-DZGCQCFKSA-N 1 1 290.407 3.001 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CCC3CCCC3)C2)C1 ZINC001015671703 624053363 /nfs/dbraw/zinc/05/33/63/624053363.db2.gz BTSNJLYGJFGJLA-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)sc2C)[C@@H]1C ZINC000993562128 624053546 /nfs/dbraw/zinc/05/35/46/624053546.db2.gz BXMKBSMZLVHREF-SWLSCSKDSA-N 1 1 292.448 3.134 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2cocc2C)[C@H]1C ZINC000993701197 624059157 /nfs/dbraw/zinc/05/91/57/624059157.db2.gz MPVPLXLOXCPXIN-GDBMZVCRSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C2(F)CCCCC2)[C@@H]1C ZINC000994154702 624069997 /nfs/dbraw/zinc/06/99/97/624069997.db2.gz CUXVUBPWFHFCSY-LSDHHAIUSA-N 1 1 296.430 3.204 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)c(C)s2)[C@@H]1C ZINC000994369301 624206388 /nfs/dbraw/zinc/20/63/88/624206388.db2.gz XLKACPCWBICRLT-JSGCOSHPSA-N 1 1 292.448 3.134 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C2CCC=CCC2)[C@H]1C ZINC000994447064 624226098 /nfs/dbraw/zinc/22/60/98/624226098.db2.gz BATBQPWKWBUTSU-NVXWUHKLSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC[N@H+](Cc1cc(OC)c(OC)cc1C)C(C)C ZINC000917166789 624248606 /nfs/dbraw/zinc/24/86/06/624248606.db2.gz GROQGGPEUBDYOR-UHFFFAOYSA-N 1 1 263.381 3.409 20 30 CGEDMO C=CC[N@@H+](Cn1c(C)c(C)n(CCOC)c1=S)C(C)C ZINC000917481616 624273448 /nfs/dbraw/zinc/27/34/48/624273448.db2.gz RUURDMNKBYDSTE-UHFFFAOYSA-N 1 1 297.468 3.136 20 30 CGEDMO C=CC[N@H+](Cn1c(C)c(C)n(CCOC)c1=S)C(C)C ZINC000917481616 624273457 /nfs/dbraw/zinc/27/34/57/624273457.db2.gz RUURDMNKBYDSTE-UHFFFAOYSA-N 1 1 297.468 3.136 20 30 CGEDMO C=CC[N@H+](C)Cc1c(O)ccc2ccc(OC)cc21 ZINC000155026241 624412806 /nfs/dbraw/zinc/41/28/06/624412806.db2.gz RBBHOOSCIMPSSX-UHFFFAOYSA-N 1 1 257.333 3.172 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(Br)cc1)C(C)C ZINC000920089834 624446049 /nfs/dbraw/zinc/44/60/49/624446049.db2.gz UVTXPPRRLNITKJ-UHFFFAOYSA-N 1 1 266.182 3.293 20 30 CGEDMO C#CCCCCC(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000180125089 624718206 /nfs/dbraw/zinc/71/82/06/624718206.db2.gz QBOWCKUSMJSOHH-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000181312719 624844121 /nfs/dbraw/zinc/84/41/21/624844121.db2.gz AUVXVIDHOQJVOV-UHFFFAOYSA-N 1 1 260.381 3.256 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000181312719 624844123 /nfs/dbraw/zinc/84/41/23/624844123.db2.gz AUVXVIDHOQJVOV-UHFFFAOYSA-N 1 1 260.381 3.256 20 30 CGEDMO C=CCCC[C@H](C)OC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000835268166 634421858 /nfs/dbraw/zinc/42/18/58/634421858.db2.gz GJTSNOGVVHMCLA-ZDUSSCGKSA-N 1 1 285.347 3.169 20 30 CGEDMO N#CCCC[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000070975452 625046809 /nfs/dbraw/zinc/04/68/09/625046809.db2.gz HDTIVNHTGOMTEX-UHFFFAOYSA-N 1 1 270.332 3.291 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001016083696 625785216 /nfs/dbraw/zinc/78/52/16/625785216.db2.gz UNVXHBPODHJRCL-QGZVFWFLSA-N 1 1 286.419 3.190 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C2CCC(C(C)(C)C)CC2)C1 ZINC001016161506 625833851 /nfs/dbraw/zinc/83/38/51/625833851.db2.gz VSGHMEHPQJEFLS-UYSNPLJNSA-N 1 1 292.467 3.215 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CNC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000921688854 625839568 /nfs/dbraw/zinc/83/95/68/625839568.db2.gz IODBMOLOGRNJAE-QGZVFWFLSA-N 1 1 299.462 3.385 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CNC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000921688854 625839572 /nfs/dbraw/zinc/83/95/72/625839572.db2.gz IODBMOLOGRNJAE-QGZVFWFLSA-N 1 1 299.462 3.385 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[C@@H]2CCC)CC1 ZINC001000880820 625883364 /nfs/dbraw/zinc/88/33/64/625883364.db2.gz XCKIHPYIHZGLDE-IRXDYDNUSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC001001122975 625891439 /nfs/dbraw/zinc/89/14/39/625891439.db2.gz KUJVSUNLDXGLKZ-MRXNPFEDSA-N 1 1 290.451 3.137 20 30 CGEDMO C[C@H](NCc1csc(C#N)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000922006173 625959468 /nfs/dbraw/zinc/95/94/68/625959468.db2.gz CXGQWYLCTPMZMX-GUYCJALGSA-N 1 1 299.443 3.401 20 30 CGEDMO Cc1noc(C)c1C(C)(C)[NH2+]Cc1csc(C#N)c1 ZINC000922125943 625971115 /nfs/dbraw/zinc/97/11/15/625971115.db2.gz DGINXDJJSRRYBW-UHFFFAOYSA-N 1 1 275.377 3.250 20 30 CGEDMO CCCc1nc(C)c(C[NH2+]Cc2csc(C#N)c2)o1 ZINC000922143243 625972481 /nfs/dbraw/zinc/97/24/81/625972481.db2.gz IRITZHZOPBQTSX-UHFFFAOYSA-N 1 1 275.377 3.159 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)C[C@H]2C=CCCC2)CC1 ZINC001003144056 625975702 /nfs/dbraw/zinc/97/57/02/625975702.db2.gz VEOIMTDVZGEEGU-AWEZNQCLSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C=C(C)C)CC1 ZINC001004331996 626038167 /nfs/dbraw/zinc/03/81/67/626038167.db2.gz PCORCAVVEONHRD-KRWDZBQOSA-N 1 1 290.451 3.232 20 30 CGEDMO Cc1cc(F)ccc1N=NC1C[C@H](C)[N@H+](C2CC2)C1 ZINC000750938351 626369636 /nfs/dbraw/zinc/36/96/36/626369636.db2.gz FXKOUBVNSDCNHI-NSHDSACASA-N 1 1 261.344 3.159 20 30 CGEDMO C=CC[N@H+](Cc1cnc(OC)c(Cl)c1)C(C)C ZINC000751963559 626413595 /nfs/dbraw/zinc/41/35/95/626413595.db2.gz IISHABJOTOYQHB-UHFFFAOYSA-N 1 1 254.761 3.140 20 30 CGEDMO C[C@@H]1C[N@@H+](C)CC1N=Nc1ccnc2cc(Cl)ccc12 ZINC000752154937 626420507 /nfs/dbraw/zinc/42/05/07/626420507.db2.gz MFDDSQDYQROWPS-SNVBAGLBSA-N 1 1 288.782 3.238 20 30 CGEDMO C[C@H]([N@@H+](C)Cn1ccc(-c2ccc(C#N)cc2)n1)C1(C)CC1 ZINC000753112586 626445726 /nfs/dbraw/zinc/44/57/26/626445726.db2.gz VDJRGSNWWFUOIO-AWEZNQCLSA-N 1 1 294.402 3.500 20 30 CGEDMO CC(C)[N@@H+]1CC(N=Nc2ccc3ccccc3n2)[C@H](C)C1 ZINC000754254766 626565285 /nfs/dbraw/zinc/56/52/85/626565285.db2.gz PGYGAPNFVPEBPQ-CYBMUJFWSA-N 1 1 282.391 3.363 20 30 CGEDMO CC(C)[N@@H+]1CC(=NNCc2cccc3cccnc32)[C@H](C)C1 ZINC000754258688 626565402 /nfs/dbraw/zinc/56/54/02/626565402.db2.gz MZKDZVFVVSWDIQ-CQSZACIVSA-N 1 1 296.418 3.041 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@@H+]2CC[C@H](CC)C2)c1O ZINC000754739621 626585941 /nfs/dbraw/zinc/58/59/41/626585941.db2.gz LOLSKZFHOVFRDH-ZDUSSCGKSA-N 1 1 275.392 3.361 20 30 CGEDMO Cc1cc(C)c(O)c(C[N@@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000754749116 626586237 /nfs/dbraw/zinc/58/62/37/626586237.db2.gz XMUSVGJKIPSSLG-LBPRGKRZSA-N 1 1 258.365 3.133 20 30 CGEDMO Cc1cc(C)c(O)c(C[N@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000754749116 626586239 /nfs/dbraw/zinc/58/62/39/626586239.db2.gz XMUSVGJKIPSSLG-LBPRGKRZSA-N 1 1 258.365 3.133 20 30 CGEDMO Cc1cc(C)c(O)c(C[N@@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000754749114 626586262 /nfs/dbraw/zinc/58/62/62/626586262.db2.gz XMUSVGJKIPSSLG-GFCCVEGCSA-N 1 1 258.365 3.133 20 30 CGEDMO Cc1cc(C)c(O)c(C[N@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000754749114 626586264 /nfs/dbraw/zinc/58/62/64/626586264.db2.gz XMUSVGJKIPSSLG-GFCCVEGCSA-N 1 1 258.365 3.133 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000755270261 626611021 /nfs/dbraw/zinc/61/10/21/626611021.db2.gz ITTUBCSMVJDZCR-KKUMJFAQSA-N 1 1 294.439 3.188 20 30 CGEDMO C[C@@H]1C[N@H+](C2CC2)CC1N=Nc1cccc2cnccc21 ZINC000755890100 626656452 /nfs/dbraw/zinc/65/64/52/626656452.db2.gz POUYSDUUGBFNLY-GFCCVEGCSA-N 1 1 280.375 3.117 20 30 CGEDMO C#CC[N@H+](CC(=O)N(C(C)C)C1CCCC1)C1CCCC1 ZINC000756912497 626741098 /nfs/dbraw/zinc/74/10/98/626741098.db2.gz YKQQLJFPFQAMRC-UHFFFAOYSA-N 1 1 290.451 3.044 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000839643377 626774234 /nfs/dbraw/zinc/77/42/34/626774234.db2.gz SKYNECSZIFWPHK-CQSZACIVSA-N 1 1 298.224 3.381 20 30 CGEDMO CC(C)[N@@H+]1CC(=NOCc2ccc(F)cc2)[C@@H](C)C1 ZINC000758143885 626830898 /nfs/dbraw/zinc/83/08/98/626830898.db2.gz XIFVZDHSELTAPD-LBPRGKRZSA-N 1 1 264.344 3.058 20 30 CGEDMO C=CCCCCCCNC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000805184214 626910343 /nfs/dbraw/zinc/91/03/43/626910343.db2.gz KWGDHYMKYKFPKD-INIZCTEOSA-N 1 1 295.471 3.152 20 30 CGEDMO C#CCC[N@H+](CC)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000760827676 626994915 /nfs/dbraw/zinc/99/49/15/626994915.db2.gz LZZZGYXSJMUQPS-SJLPKXTDSA-N 1 1 270.420 3.167 20 30 CGEDMO C#CCCN(CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000760827676 626994920 /nfs/dbraw/zinc/99/49/20/626994920.db2.gz LZZZGYXSJMUQPS-SJLPKXTDSA-N 1 1 270.420 3.167 20 30 CGEDMO C#CCCN(CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000760827676 626994926 /nfs/dbraw/zinc/99/49/26/626994926.db2.gz LZZZGYXSJMUQPS-SJLPKXTDSA-N 1 1 270.420 3.167 20 30 CGEDMO C#CCC[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000760843500 626995754 /nfs/dbraw/zinc/99/57/54/626995754.db2.gz KUXBRFXDEUSBJY-QZTJIDSGSA-N 1 1 271.404 3.378 20 30 CGEDMO C#CCC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000760843502 626995846 /nfs/dbraw/zinc/99/58/46/626995846.db2.gz KUXBRFXDEUSBJY-ROUUACIJSA-N 1 1 271.404 3.378 20 30 CGEDMO C=C(Br)C[N@H+]1CCc2ccc(OC)cc2CC1 ZINC000760923920 627002362 /nfs/dbraw/zinc/00/23/62/627002362.db2.gz CRMSKDSTIKJCPI-UHFFFAOYSA-N 1 1 296.208 3.004 20 30 CGEDMO C=C(Br)C[N@@H+]1CCc2ccc(OC)cc2CC1 ZINC000760923920 627002366 /nfs/dbraw/zinc/00/23/66/627002366.db2.gz CRMSKDSTIKJCPI-UHFFFAOYSA-N 1 1 296.208 3.004 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccccc1N1CCCCC1 ZINC000762793175 627124197 /nfs/dbraw/zinc/12/41/97/627124197.db2.gz DHRWPAJDIDJVQA-INIZCTEOSA-N 1 1 271.408 3.459 20 30 CGEDMO C=CC[N@H+](CCCOc1cccc(C#N)c1)C(C)C ZINC000763398849 627155929 /nfs/dbraw/zinc/15/59/29/627155929.db2.gz WKAUWORXPOHWLS-UHFFFAOYSA-N 1 1 258.365 3.224 20 30 CGEDMO C#CC[N@H+](CCc1cccc(OC(F)(F)F)c1)C1CC1 ZINC000763951281 627187246 /nfs/dbraw/zinc/18/72/46/627187246.db2.gz VBUOTKBFFWAURC-UHFFFAOYSA-N 1 1 283.293 3.225 20 30 CGEDMO C#CC[N@@H+](Cc1cnn(Cc2ccccc2Cl)c1)C1CC1 ZINC000764681050 627218224 /nfs/dbraw/zinc/21/82/24/627218224.db2.gz DLJUGOCFJXBUDG-UHFFFAOYSA-N 1 1 299.805 3.182 20 30 CGEDMO C#CC[N@H+](Cc1cnn(Cc2ccccc2Cl)c1)C1CC1 ZINC000764681050 627218225 /nfs/dbraw/zinc/21/82/25/627218225.db2.gz DLJUGOCFJXBUDG-UHFFFAOYSA-N 1 1 299.805 3.182 20 30 CGEDMO C=CCCC[C@H](C)OC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000765487711 627253105 /nfs/dbraw/zinc/25/31/05/627253105.db2.gz FDGSEZXYQYDLEK-HOCLYGCPSA-N 1 1 297.439 3.068 20 30 CGEDMO C#CCOc1ccc([C@H](C)NCC[N@H+](CC)C(C)C)cc1 ZINC000765627886 627263787 /nfs/dbraw/zinc/26/37/87/627263787.db2.gz MDMRAUCVDLWLNH-INIZCTEOSA-N 1 1 288.435 3.080 20 30 CGEDMO C#CCOc1ccc([C@H](C)[NH2+]CCN(CC)C(C)C)cc1 ZINC000765627886 627263788 /nfs/dbraw/zinc/26/37/88/627263788.db2.gz MDMRAUCVDLWLNH-INIZCTEOSA-N 1 1 288.435 3.080 20 30 CGEDMO C#CC[N@@H+](Cc1cccc2nsnc21)C1CCCC1 ZINC000766091683 627294838 /nfs/dbraw/zinc/29/48/38/627294838.db2.gz OJERHASKJWGTOZ-UHFFFAOYSA-N 1 1 271.389 3.069 20 30 CGEDMO CC(C)[C@H](C)[N@@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000768269964 627471679 /nfs/dbraw/zinc/47/16/79/627471679.db2.gz STADKMHAAGDEEJ-KBPBESRZSA-N 1 1 260.381 3.454 20 30 CGEDMO CC(C)[N@H+](CCC#N)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000768766526 627497277 /nfs/dbraw/zinc/49/72/77/627497277.db2.gz YUOUOGPOLPLRMM-CQSZACIVSA-N 1 1 271.364 3.102 20 30 CGEDMO CC(C)[N@@H+](CCC#N)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000768766526 627497281 /nfs/dbraw/zinc/49/72/81/627497281.db2.gz YUOUOGPOLPLRMM-CQSZACIVSA-N 1 1 271.364 3.102 20 30 CGEDMO CCCCCCCCC(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000768845886 627503587 /nfs/dbraw/zinc/50/35/87/627503587.db2.gz JCRLFFKQXQKRHN-CABCVRRESA-N 1 1 268.445 3.288 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@@H+](C)Cc2ccoc2)cc1 ZINC000769005045 627515495 /nfs/dbraw/zinc/51/54/95/627515495.db2.gz MCMKIAYFLNLIMC-UHFFFAOYSA-N 1 1 283.375 3.261 20 30 CGEDMO CC[C@H]1CCC[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000769010744 627516644 /nfs/dbraw/zinc/51/66/44/627516644.db2.gz VISMLIPKAWYMEP-INIZCTEOSA-N 1 1 271.408 3.411 20 30 CGEDMO C#CC[N@@H+](CC)Cc1cc(C(F)(F)F)ccc1F ZINC000769110826 627523328 /nfs/dbraw/zinc/52/33/28/627523328.db2.gz IXMHPYLHQZIQSE-UHFFFAOYSA-N 1 1 259.246 3.300 20 30 CGEDMO C#CC[N@H+](CC)Cc1cc(C(F)(F)F)ccc1F ZINC000769110826 627523332 /nfs/dbraw/zinc/52/33/32/627523332.db2.gz IXMHPYLHQZIQSE-UHFFFAOYSA-N 1 1 259.246 3.300 20 30 CGEDMO C#CCOc1ccc(C[N@H+](C)C(C2CC2)C2CC2)cc1 ZINC000769192628 627530287 /nfs/dbraw/zinc/53/02/87/627530287.db2.gz NBERMWFKTCZBBE-UHFFFAOYSA-N 1 1 269.388 3.319 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000769493855 627559989 /nfs/dbraw/zinc/55/99/89/627559989.db2.gz XLFRJOJWIPSDTG-UHFFFAOYSA-N 1 1 299.414 3.234 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CCOC2(CCCCC2)C1 ZINC000769493855 627559991 /nfs/dbraw/zinc/55/99/91/627559991.db2.gz XLFRJOJWIPSDTG-UHFFFAOYSA-N 1 1 299.414 3.234 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)CCOC(C)(C)C)cc1 ZINC000769514042 627561623 /nfs/dbraw/zinc/56/16/23/627561623.db2.gz FGHXRFJCDOMJAS-AWEZNQCLSA-N 1 1 290.407 3.224 20 30 CGEDMO C#CC[N@H+](Cc1cc(F)c(F)c(F)c1)C1CCCC1 ZINC000769530346 627562847 /nfs/dbraw/zinc/56/28/47/627562847.db2.gz KRTPVHKBAYZWPZ-UHFFFAOYSA-N 1 1 267.294 3.482 20 30 CGEDMO CCC#C[C@H](C)[NH+]1CCC(O)(c2ccccc2Cl)CC1 ZINC000769819968 627580855 /nfs/dbraw/zinc/58/08/55/627580855.db2.gz WDQWRRJZSYZMGZ-AWEZNQCLSA-N 1 1 291.822 3.425 20 30 CGEDMO C=CC[C@H]1[N@@H+](CC(OCC)OCC)CCCC1(C)C ZINC000769954475 627592252 /nfs/dbraw/zinc/59/22/52/627592252.db2.gz TTZLWZAFXWLGTQ-CQSZACIVSA-N 1 1 269.429 3.452 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000769960987 627592899 /nfs/dbraw/zinc/59/28/99/627592899.db2.gz JWVNMVWMSPPXTH-ZDUSSCGKSA-N 1 1 273.376 3.095 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)CCOc1c(Cl)cccc1Cl ZINC000769976302 627593763 /nfs/dbraw/zinc/59/37/63/627593763.db2.gz YNDFRBDWIJUHND-SNVBAGLBSA-N 1 1 272.175 3.326 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)CCC(=O)Nc1cccc2ccccc21 ZINC000769977531 627594623 /nfs/dbraw/zinc/59/46/23/627594623.db2.gz IUQMTIXQPNAXIW-AWEZNQCLSA-N 1 1 280.371 3.122 20 30 CGEDMO CCC(CC)C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000770388961 627616670 /nfs/dbraw/zinc/61/66/70/627616670.db2.gz BZRCCYMHEGJBEO-QGZVFWFLSA-N 1 1 272.392 3.368 20 30 CGEDMO C=CC[N@H+](CCCN(CC)CC(F)(F)F)C(C)C ZINC000771755935 627730069 /nfs/dbraw/zinc/73/00/69/627730069.db2.gz KJTQCCQMURFPGO-UHFFFAOYSA-N 1 1 266.351 3.157 20 30 CGEDMO C=C(CC)C[N@@H+]1CCC[C@@H]1C(=O)OCc1ccccc1 ZINC000773426964 627882576 /nfs/dbraw/zinc/88/25/76/627882576.db2.gz ONJRLFPBHDCOBD-MRXNPFEDSA-N 1 1 273.376 3.160 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@@H]1C(=O)OCc1ccccc1 ZINC000773426964 627882577 /nfs/dbraw/zinc/88/25/77/627882577.db2.gz ONJRLFPBHDCOBD-MRXNPFEDSA-N 1 1 273.376 3.160 20 30 CGEDMO C#CCCC[N@@H+]1CCN(c2cccc3cnccc32)C[C@H]1C ZINC000773955809 627931464 /nfs/dbraw/zinc/93/14/64/627931464.db2.gz IBKMEHHVJKJUGJ-MRXNPFEDSA-N 1 1 293.414 3.159 20 30 CGEDMO C#CC[N@@H+](CC)CCCc1c(F)cccc1Cl ZINC000774860385 628041989 /nfs/dbraw/zinc/04/19/89/628041989.db2.gz YXRJUMIDXWMBTJ-UHFFFAOYSA-N 1 1 253.748 3.367 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(OC)c(O[C@H](C)CC)c1 ZINC000775178343 628069837 /nfs/dbraw/zinc/06/98/37/628069837.db2.gz HEGKWKGYVRHAPI-ZIAGYGMSSA-N 1 1 275.392 3.326 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000775184993 628070698 /nfs/dbraw/zinc/07/06/98/628070698.db2.gz UNECEMILBBVABU-OAHLLOKOSA-N 1 1 289.382 3.479 20 30 CGEDMO C#C[C@H]([NH2+][C@@H](CC)c1ccc(F)cc1F)[C@@H]1CCCO1 ZINC000775571195 628108315 /nfs/dbraw/zinc/10/83/15/628108315.db2.gz CEXWSUYXDFZYEN-JYJNAYRXSA-N 1 1 279.330 3.186 20 30 CGEDMO CC(C)[C@H](Cc1ccccc1)N=NC1CC[N@H+]2CCC[C@@H]12 ZINC000777449760 628272175 /nfs/dbraw/zinc/27/21/75/628272175.db2.gz YUZXKXSNNJWKQY-ROUUACIJSA-N 1 1 285.435 3.067 20 30 CGEDMO c1ccc(C[NH+]2CCC(=NOC3CCCCC3)CC2)nc1 ZINC000777456936 628272777 /nfs/dbraw/zinc/27/27/77/628272777.db2.gz IVRSGAFNXNORLP-UHFFFAOYSA-N 1 1 287.407 3.383 20 30 CGEDMO C=CCC[NH2+][C@H](C(=O)OCc1ccccc1)C(C)(C)C ZINC000777747434 628297647 /nfs/dbraw/zinc/29/76/47/628297647.db2.gz UAPZMLUMRLQUQT-OAHLLOKOSA-N 1 1 275.392 3.310 20 30 CGEDMO C#CCCCCCOC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000779454390 628414223 /nfs/dbraw/zinc/41/42/23/628414223.db2.gz OTRCPQNOCBOGMW-GOSISDBHSA-N 1 1 299.414 3.388 20 30 CGEDMO C#CCCCCCOC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000779454390 628414224 /nfs/dbraw/zinc/41/42/24/628414224.db2.gz OTRCPQNOCBOGMW-GOSISDBHSA-N 1 1 299.414 3.388 20 30 CGEDMO CC(=NNc1cc[nH+]cc1)c1ccc(OCC(C)C)cc1 ZINC000779809458 628433866 /nfs/dbraw/zinc/43/38/66/628433866.db2.gz OUCSJGVYLSMNHY-UHFFFAOYSA-N 1 1 283.375 3.374 20 30 CGEDMO CCOc1ccc(C(C)=NNc2cc[nH+]cc2)cc1OCC ZINC000779809657 628433987 /nfs/dbraw/zinc/43/39/87/628433987.db2.gz MHYJNFDEJAEADX-UHFFFAOYSA-N 1 1 299.374 3.137 20 30 CGEDMO C#CCCCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000779926047 628442837 /nfs/dbraw/zinc/44/28/37/628442837.db2.gz OJYIRVHSEPBQHK-SJORKVTESA-N 1 1 290.451 3.044 20 30 CGEDMO CCOCCC[N@H+]1CCC(=NNCCC(C)(C)C)[C@H](C)C1 ZINC000782902514 628666156 /nfs/dbraw/zinc/66/61/56/628666156.db2.gz BNYUOUVCIOPHHY-OAHLLOKOSA-N 1 1 297.487 3.137 20 30 CGEDMO CC(=[NH+]NC1CCCC1)c1ccc(N)cc1Cl ZINC000782903850 628666180 /nfs/dbraw/zinc/66/61/80/628666180.db2.gz LWHXDAVOMNFDHC-UHFFFAOYSA-N 1 1 251.761 3.178 20 30 CGEDMO CC(C)[N@@H+]1CC(N=Nc2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000783877718 628754549 /nfs/dbraw/zinc/75/45/49/628754549.db2.gz NLPDVMDPFVQXGX-NSHDSACASA-N 1 1 290.798 3.340 20 30 CGEDMO C[C@@]1(C#N)CCC[N@H+](Cc2cncc3ccccc32)C1 ZINC000784455094 628814427 /nfs/dbraw/zinc/81/44/27/628814427.db2.gz SNZARUZGDQEUOU-KRWDZBQOSA-N 1 1 265.360 3.360 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](Cc2cncc3ccccc32)C1 ZINC000784455094 628814428 /nfs/dbraw/zinc/81/44/28/628814428.db2.gz SNZARUZGDQEUOU-KRWDZBQOSA-N 1 1 265.360 3.360 20 30 CGEDMO C=CCCC[C@@H](C)OC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000785731337 628883055 /nfs/dbraw/zinc/88/30/55/628883055.db2.gz MBQOYSHYNDXFPT-HZSPNIEDSA-N 1 1 253.386 3.147 20 30 CGEDMO C=CCC[N@@H+](C)CN1c2cccc3cccc(c23)C1=O ZINC000786101808 628914374 /nfs/dbraw/zinc/91/43/74/628914374.db2.gz JXEVKVYRHVMEGK-UHFFFAOYSA-N 1 1 266.344 3.265 20 30 CGEDMO C=CCC[N@H+](C)CN1c2cccc3cccc(c23)C1=O ZINC000786101808 628914376 /nfs/dbraw/zinc/91/43/76/628914376.db2.gz JXEVKVYRHVMEGK-UHFFFAOYSA-N 1 1 266.344 3.265 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)C[C@H](C)Cc2ccccc2)n1 ZINC000789759646 629165905 /nfs/dbraw/zinc/16/59/05/629165905.db2.gz YPPXWDBJRUAYKY-QGZVFWFLSA-N 1 1 295.430 3.217 20 30 CGEDMO CCCCCCCNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000862354707 629347572 /nfs/dbraw/zinc/34/75/72/629347572.db2.gz FFJABDMNSCJSBH-AWEZNQCLSA-N 1 1 279.428 3.483 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000792269511 629353568 /nfs/dbraw/zinc/35/35/68/629353568.db2.gz ZSZRLGVZCWVVNI-INIZCTEOSA-N 1 1 280.456 3.434 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)C[C@@H](O)c1cnn(CC)c1 ZINC000792364717 629358172 /nfs/dbraw/zinc/35/81/72/629358172.db2.gz IXLHSLYNHXPMNR-GOSISDBHSA-N 1 1 299.418 3.015 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2c(Cl)n(C)nc2CC)C1 ZINC000862441152 629373411 /nfs/dbraw/zinc/37/34/11/629373411.db2.gz OZPWZICSBWZVBW-NSHDSACASA-N 1 1 267.804 3.034 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2cncc3ccccc32)C1 ZINC000862445283 629378263 /nfs/dbraw/zinc/37/82/63/629378263.db2.gz PMNZFIMRFWBTFV-CQSZACIVSA-N 1 1 250.345 3.080 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ncc(C(C)(C)C)s2)C1 ZINC000862447010 629380126 /nfs/dbraw/zinc/38/01/26/629380126.db2.gz GEQZOODVCWZNPL-LBPRGKRZSA-N 1 1 262.422 3.286 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792908627 629393092 /nfs/dbraw/zinc/39/30/92/629393092.db2.gz SDKGQGNXHITYJU-TUAOUCFPSA-N 1 1 260.208 3.304 20 30 CGEDMO CC[C@H]1C[C@H](C[N@H+]2CCc3c(CC#N)cccc3C2)CCO1 ZINC000862542312 629397626 /nfs/dbraw/zinc/39/76/26/629397626.db2.gz LNDAUZOYTQKYIY-QAPCUYQASA-N 1 1 298.430 3.316 20 30 CGEDMO C#CCOc1ccc(C[N@H+](C)Cc2cnccc2C)cc1 ZINC000793342347 629444701 /nfs/dbraw/zinc/44/47/01/629444701.db2.gz YVKRXAJLKALBBF-UHFFFAOYSA-N 1 1 280.371 3.034 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+](CC1CC1)C1CCC1 ZINC000793394218 629453666 /nfs/dbraw/zinc/45/36/66/629453666.db2.gz LMLHJOBNBQBKDB-UHFFFAOYSA-N 1 1 269.388 3.463 20 30 CGEDMO O=[N+]([O-])c1ccccc1C[C@@H]1CCCC1=[NH+]n1cccn1 ZINC000863164752 629487863 /nfs/dbraw/zinc/48/78/63/629487863.db2.gz UOGPMLQKLRRQOA-LBPRGKRZSA-N 1 1 284.319 3.038 20 30 CGEDMO Fc1ccc(N=NC2CC[N@H+]3CCC[C@@H]23)cc1Cl ZINC000863178877 629488768 /nfs/dbraw/zinc/48/87/68/629488768.db2.gz IXMOUGLVALPORE-ZDUSSCGKSA-N 1 1 267.735 3.115 20 30 CGEDMO CC[N@@H+](CCc1ccccn1)Cc1cccc(F)c1C#N ZINC000794405424 629540387 /nfs/dbraw/zinc/54/03/87/629540387.db2.gz VWYICIAHKKTDAS-UHFFFAOYSA-N 1 1 283.350 3.157 20 30 CGEDMO CSCCON=C1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000794574743 629558281 /nfs/dbraw/zinc/55/82/81/629558281.db2.gz NQYXQWCCALMHGV-AWEZNQCLSA-N 1 1 292.448 3.264 20 30 CGEDMO C[C@H](O[NH+]=C(N)CCC(F)(F)F)c1ccc(C#N)cc1 ZINC000863490633 629589874 /nfs/dbraw/zinc/58/98/74/629589874.db2.gz OWNOCYKMKVGNRH-VIFPVBQESA-N 1 1 285.269 3.460 20 30 CGEDMO C#CC[N@H+](CCc1csc(C)n1)Cc1ccc(F)cc1 ZINC000119595993 629647577 /nfs/dbraw/zinc/64/75/77/629647577.db2.gz CCDXSQQYDUWKLX-UHFFFAOYSA-N 1 1 288.391 3.269 20 30 CGEDMO C=CC[N@H+](CCOC)[C@@H]1CCc2cc(Cl)ccc21 ZINC000796031153 629738057 /nfs/dbraw/zinc/73/80/57/629738057.db2.gz DHPJVZKOEAPNBW-OAHLLOKOSA-N 1 1 265.784 3.462 20 30 CGEDMO CCCCCCCC[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000796077547 629743335 /nfs/dbraw/zinc/74/33/35/629743335.db2.gz QINBZIZCBIZKHZ-INIZCTEOSA-N 1 1 269.429 3.228 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@@](C)(c2ccccc2)CC1 ZINC000796199716 629751882 /nfs/dbraw/zinc/75/18/82/629751882.db2.gz SKVQZCVGSLOZQG-SJLPKXTDSA-N 1 1 286.419 3.359 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000796631255 629807686 /nfs/dbraw/zinc/80/76/86/629807686.db2.gz FJOLJODTYMKQPS-UHFFFAOYSA-N 1 1 280.327 3.230 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000796631255 629807688 /nfs/dbraw/zinc/80/76/88/629807688.db2.gz FJOLJODTYMKQPS-UHFFFAOYSA-N 1 1 280.327 3.230 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000796633358 629808350 /nfs/dbraw/zinc/80/83/50/629808350.db2.gz SPDJUCDSIGCJDZ-UHFFFAOYSA-N 1 1 280.327 3.230 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000796633358 629808352 /nfs/dbraw/zinc/80/83/52/629808352.db2.gz SPDJUCDSIGCJDZ-UHFFFAOYSA-N 1 1 280.327 3.230 20 30 CGEDMO C#CC[N@H+](CCc1csc(C)n1)Cc1ccccc1 ZINC000796641854 629809781 /nfs/dbraw/zinc/80/97/81/629809781.db2.gz VMCCPONTRGWUGG-UHFFFAOYSA-N 1 1 270.401 3.129 20 30 CGEDMO C=CCC[C@H](NCC[N@H+]1CCC[C@H]1C)c1ccco1 ZINC000796785301 629833453 /nfs/dbraw/zinc/83/34/53/629833453.db2.gz XBZXQVFBAQPPHT-CABCVRRESA-N 1 1 262.397 3.361 20 30 CGEDMO C=CCC[C@H](NCC[N@@H+]1CCC[C@H]1C)c1ccco1 ZINC000796785301 629833455 /nfs/dbraw/zinc/83/34/55/629833455.db2.gz XBZXQVFBAQPPHT-CABCVRRESA-N 1 1 262.397 3.361 20 30 CGEDMO CC1=C[C@H](C)C[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000797605472 629970457 /nfs/dbraw/zinc/97/04/57/629970457.db2.gz ROANFYPKJUZANT-HNNXBMFYSA-N 1 1 283.419 3.434 20 30 CGEDMO CC(C)(C)c1ccc(N[NH2+]C2=CC(=O)N3CCC[C@H]23)cc1 ZINC000799484497 630188637 /nfs/dbraw/zinc/18/86/37/630188637.db2.gz FARFYTYCYTVTOK-OAHLLOKOSA-N 1 1 285.391 3.147 20 30 CGEDMO C=CCn1cc(C[NH2+]Cc2cccc(CC3CCC3)c2)nn1 ZINC000865608200 630217621 /nfs/dbraw/zinc/21/76/21/630217621.db2.gz DZQVDIRIYYELML-UHFFFAOYSA-N 1 1 296.418 3.097 20 30 CGEDMO C[C@]1(C[NH2+][C@H]2CC[C@@H](C#N)C2)CCN(Cc2ccccc2)C1 ZINC000799724528 630225331 /nfs/dbraw/zinc/22/53/31/630225331.db2.gz FAGDRNRNKGMAEV-CEXWTWQISA-N 1 1 297.446 3.180 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+](C)C1CCC(C(C)(C)C)CC1 ZINC000801914320 630364919 /nfs/dbraw/zinc/36/49/19/630364919.db2.gz APMGVCSOHLZFSR-NFOMZHRRSA-N 1 1 266.429 3.452 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](C)Cc1csc2ccccc12 ZINC000801914518 630365304 /nfs/dbraw/zinc/36/53/04/630365304.db2.gz JMPOFZRWJKNEII-GFCCVEGCSA-N 1 1 274.389 3.262 20 30 CGEDMO CC[N@@H+](CCO[C@H](C)C#N)[C@H](C)c1cccc(OC)c1 ZINC000801915450 630365817 /nfs/dbraw/zinc/36/58/17/630365817.db2.gz LKDVTDXQNYGPGE-ZIAGYGMSSA-N 1 1 276.380 3.007 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000801917595 630365894 /nfs/dbraw/zinc/36/58/94/630365894.db2.gz IXQPIQPXOKNFBD-NVXWUHKLSA-N 1 1 272.392 3.185 20 30 CGEDMO CC(C)[C@@H](c1ccccc1)[N@@H+](C)CCO[C@H](C)C#N ZINC000801919896 630366870 /nfs/dbraw/zinc/36/68/70/630366870.db2.gz JIFCIGBPBMUCCE-ZBFHGGJFSA-N 1 1 260.381 3.244 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000801922134 630366917 /nfs/dbraw/zinc/36/69/17/630366917.db2.gz GFBYUJANBSBWJQ-KBPBESRZSA-N 1 1 262.353 3.125 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000801924297 630367314 /nfs/dbraw/zinc/36/73/14/630367314.db2.gz MLPUSIPRJXNCRF-FZMZJTMJSA-N 1 1 264.756 3.015 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000801924297 630367317 /nfs/dbraw/zinc/36/73/17/630367317.db2.gz MLPUSIPRJXNCRF-FZMZJTMJSA-N 1 1 264.756 3.015 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000801930341 630369269 /nfs/dbraw/zinc/36/92/69/630369269.db2.gz NHSILETXNBVHKX-GDBMZVCRSA-N 1 1 297.402 3.276 20 30 CGEDMO Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](CCO[C@H](C)C#N)C2)cc1 ZINC000801952541 630372507 /nfs/dbraw/zinc/37/25/07/630372507.db2.gz ZWSSYRULZUZMFA-BFYDXBDKSA-N 1 1 272.392 3.102 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCCC2(CCCCC2)CC1 ZINC000801950414 630372694 /nfs/dbraw/zinc/37/26/94/630372694.db2.gz ZJJDUQZLYIMQRM-HNNXBMFYSA-N 1 1 264.413 3.351 20 30 CGEDMO CCC1(CC)CCC[N@@H+](CCO[C@H](C)C#N)CC1 ZINC000801950087 630372744 /nfs/dbraw/zinc/37/27/44/630372744.db2.gz UVVSVWBNLSNPQU-CQSZACIVSA-N 1 1 252.402 3.207 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000801953147 630373418 /nfs/dbraw/zinc/37/34/18/630373418.db2.gz JRQVWHZJISIFCG-ZDUSSCGKSA-N 1 1 290.794 3.358 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)C[C@@H](C)C(C)(C)C)n1 ZINC000802651579 630402291 /nfs/dbraw/zinc/40/22/91/630402291.db2.gz RBHKHURMYSMROR-CQSZACIVSA-N 1 1 261.413 3.020 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)CN1C[C@@H](C)[C@@H](C)C1=O ZINC000840059632 630559376 /nfs/dbraw/zinc/55/93/76/630559376.db2.gz BEKXBWBQFHSBLE-HZPDHXFCSA-N 1 1 286.419 3.137 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)CN1C[C@@H](C)[C@@H](C)C1=O ZINC000840059632 630559380 /nfs/dbraw/zinc/55/93/80/630559380.db2.gz BEKXBWBQFHSBLE-HZPDHXFCSA-N 1 1 286.419 3.137 20 30 CGEDMO COc1cncc(C[NH2+][C@H](CCC#N)c2ccccc2)c1 ZINC000808744059 630674713 /nfs/dbraw/zinc/67/47/13/630674713.db2.gz FQWMHGKWQVFXIY-QGZVFWFLSA-N 1 1 281.359 3.225 20 30 CGEDMO C=C(Br)C[N@H+](CC)[C@@H]1CCOC(C)(C)C1 ZINC000810043070 630832150 /nfs/dbraw/zinc/83/21/50/630832150.db2.gz OMJLGWMJVMLPAK-LLVKDONJSA-N 1 1 276.218 3.175 20 30 CGEDMO C=CCCC[C@@H](C)OC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810654482 630918796 /nfs/dbraw/zinc/91/87/96/630918796.db2.gz XAVOPMDSPHXRIQ-CZUORRHYSA-N 1 1 285.403 3.487 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000811494234 631076297 /nfs/dbraw/zinc/07/62/97/631076297.db2.gz PBNOEVDGHBVCDK-CQSZACIVSA-N 1 1 284.444 3.434 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)cc1 ZINC000811510576 631079034 /nfs/dbraw/zinc/07/90/34/631079034.db2.gz KHIPRXVZDBINNP-SJORKVTESA-N 1 1 269.388 3.057 20 30 CGEDMO CC(=[NH+]Nc1ccccc1)c1cccc(N2CCOCC2)c1 ZINC000812371217 631241447 /nfs/dbraw/zinc/24/14/47/631241447.db2.gz NBHCSDSXRCHOIN-UHFFFAOYSA-N 1 1 295.386 3.359 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H](CSC)C2)cc1 ZINC000814179033 631540593 /nfs/dbraw/zinc/54/05/93/631540593.db2.gz NOVMRWVRIUSFNR-INIZCTEOSA-N 1 1 259.418 3.243 20 30 CGEDMO Cc1cc(=O)[nH]c(C[NH2+][C@H](CCCC#N)c2ccccc2)n1 ZINC000814659486 631617327 /nfs/dbraw/zinc/61/73/27/631617327.db2.gz OGWOVRIJAQVTJT-OAHLLOKOSA-N 1 1 296.374 3.015 20 30 CGEDMO CC(=NNc1cc[nH+]cc1)c1nc(-c2ccccc2)cs1 ZINC000814900143 631670532 /nfs/dbraw/zinc/67/05/32/631670532.db2.gz GCMHERMDOQMMNU-UHFFFAOYSA-N 1 1 294.383 3.463 20 30 CGEDMO Cl/C=C/CO[NH+]=C1CC[C@@H]2CNc3cccc1c32 ZINC000814934287 631689848 /nfs/dbraw/zinc/68/98/48/631689848.db2.gz QUNTXWWEVSLFLG-VYJIJJLDSA-N 1 1 262.740 3.463 20 30 CGEDMO Cc1ccc(N2CCC[N@H+]([C@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000815022035 631705356 /nfs/dbraw/zinc/70/53/56/631705356.db2.gz LMSBAQAOFYESFJ-AEFFLSMTSA-N 1 1 283.419 3.199 20 30 CGEDMO C#Cc1ccc(CN2CC[N@H+](C)Cc3ccccc32)cc1 ZINC000816617490 632025048 /nfs/dbraw/zinc/02/50/48/632025048.db2.gz BDAFQTJIDXNPDT-UHFFFAOYSA-N 1 1 276.383 3.120 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2C[C@H](C)[C@H]2C)cc1OC ZINC000816649182 632037890 /nfs/dbraw/zinc/03/78/90/632037890.db2.gz VKVPNMIFFGQSMK-QWHCGFSZSA-N 1 1 261.365 3.100 20 30 CGEDMO C#CCCC[N@@H+]1Cc2ccc(OC)cc2OC(C)(C)C1 ZINC000817297795 632118803 /nfs/dbraw/zinc/11/88/03/632118803.db2.gz BBLBLODVULKGQF-UHFFFAOYSA-N 1 1 273.376 3.082 20 30 CGEDMO Cc1cc(NC(=O)c2ccc(C)c(C#N)c2)cn2cc[nH+]c12 ZINC000818050041 632281558 /nfs/dbraw/zinc/28/15/58/632281558.db2.gz BCWAYPVEVLGLAH-UHFFFAOYSA-N 1 1 290.326 3.075 20 30 CGEDMO C[C@H](c1nc(C2CC2)no1)[N@H+](C)CCc1cccc(C#N)c1 ZINC000879434781 635786698 /nfs/dbraw/zinc/78/66/98/635786698.db2.gz NMZUJKWDUDYQSA-GFCCVEGCSA-N 1 1 296.374 3.054 20 30 CGEDMO C[C@H](c1nc(C2CC2)no1)[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879434781 635786706 /nfs/dbraw/zinc/78/67/06/635786706.db2.gz NMZUJKWDUDYQSA-GFCCVEGCSA-N 1 1 296.374 3.054 20 30 CGEDMO N#Cc1ccc(CNC[C@@H]2CC[N@H+]2C2CCCCCC2)o1 ZINC000865805107 632894832 /nfs/dbraw/zinc/89/48/32/632894832.db2.gz QVRLEJHSISBLPD-HNNXBMFYSA-N 1 1 287.407 3.038 20 30 CGEDMO N#Cc1ccc(C[NH2+]C[C@@H]2CCN2C2CCCCCC2)o1 ZINC000865805107 632894833 /nfs/dbraw/zinc/89/48/33/632894833.db2.gz QVRLEJHSISBLPD-HNNXBMFYSA-N 1 1 287.407 3.038 20 30 CGEDMO C=CC1(CC(=O)NCC[C@H]2CCC[N@H+](C)C2)CCCCC1 ZINC000822456877 632931769 /nfs/dbraw/zinc/93/17/69/632931769.db2.gz GRLFLDVCHJAGMN-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO COc1ccc(C)cc1C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866289519 633067580 /nfs/dbraw/zinc/06/75/80/633067580.db2.gz HPFKJWFEIMWCOR-CYBMUJFWSA-N 1 1 296.370 3.432 20 30 CGEDMO C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccccc1 ZINC000866393118 633120475 /nfs/dbraw/zinc/12/04/75/633120475.db2.gz KURZFTFIHLPCAA-AHIWAGSCSA-N 1 1 296.370 3.037 20 30 CGEDMO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccncc2F)c1 ZINC000823887119 633165070 /nfs/dbraw/zinc/16/50/70/633165070.db2.gz BGUDXPXLGKSOHA-OAHLLOKOSA-N 1 1 299.349 3.191 20 30 CGEDMO C#CCCC[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1 ZINC000823949774 633173810 /nfs/dbraw/zinc/17/38/10/633173810.db2.gz UARRNLCZLDGKMW-QGZVFWFLSA-N 1 1 284.447 3.085 20 30 CGEDMO CCC1(CC)CCC(=NNCCC[NH+]2CCOCC2)CC1 ZINC000844595015 635939451 /nfs/dbraw/zinc/93/94/51/635939451.db2.gz VPGUMFGSUOPTSQ-UHFFFAOYSA-N 1 1 295.471 3.035 20 30 CGEDMO N#CC1CC[NH+](Cc2cccc(OC3CC3)c2F)CC1 ZINC000824646036 633267722 /nfs/dbraw/zinc/26/77/22/633267722.db2.gz VOGQKMZKDSBZKK-UHFFFAOYSA-N 1 1 274.339 3.102 20 30 CGEDMO CC[N@@H+](Cc1cc(C#N)cnc1Cl)C1CCCC1 ZINC000876580088 634861366 /nfs/dbraw/zinc/86/13/66/634861366.db2.gz FOJLHZGIIBRHPU-UHFFFAOYSA-N 1 1 263.772 3.371 20 30 CGEDMO C#CCCOc1ccc(C[NH2+][C@@H](C)c2nccn2CC)cc1 ZINC000825005714 633316879 /nfs/dbraw/zinc/31/68/79/633316879.db2.gz QJFURMKYBKMCFB-HNNXBMFYSA-N 1 1 297.402 3.156 20 30 CGEDMO CC(C)(C#N)CC(=O)OC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000870733464 633638146 /nfs/dbraw/zinc/63/81/46/633638146.db2.gz NTLGSNHYLYKWPF-HNNXBMFYSA-N 1 1 292.423 3.267 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000829029591 633683109 /nfs/dbraw/zinc/68/31/09/633683109.db2.gz VPKLEXAPYNULEH-RDJZCZTQSA-N 1 1 270.376 3.353 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@]1(C)Cc1ccccc1F ZINC000829764764 633779089 /nfs/dbraw/zinc/77/90/89/633779089.db2.gz WQMFSCSMQHCNIP-RHSMWYFYSA-N 1 1 290.382 3.151 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000829778873 633783023 /nfs/dbraw/zinc/78/30/23/633783023.db2.gz JIYKDWFLSZDMRS-HNNXBMFYSA-N 1 1 264.372 3.470 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](C[C@H](O)c2cc(C)cc(C)c2)C1 ZINC000829785553 633783410 /nfs/dbraw/zinc/78/34/10/633783410.db2.gz WHNXFXOVRGLUGQ-AEFFLSMTSA-N 1 1 271.404 3.072 20 30 CGEDMO C#CC[C@H]1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000829784448 633784430 /nfs/dbraw/zinc/78/44/30/633784430.db2.gz KIIDLSRUQWGTNB-KBPBESRZSA-N 1 1 272.348 3.391 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](CCCCOC(C)(C)C)C1 ZINC000829810654 633793133 /nfs/dbraw/zinc/79/31/33/633793133.db2.gz SPBIDBGCSQAUAV-HNNXBMFYSA-N 1 1 251.414 3.317 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@](O)(CC#N)C1 ZINC000829998046 633815806 /nfs/dbraw/zinc/81/58/06/633815806.db2.gz GXORSYLDWGLVPL-OAHLLOKOSA-N 1 1 252.402 3.087 20 30 CGEDMO CC(=O)[C@@](C#N)(CCn1cc[nH+]c1C1CC1)c1ccccc1 ZINC000871679439 633821472 /nfs/dbraw/zinc/82/14/72/633821472.db2.gz LKWDAADCANWCGJ-SFHVURJKSA-N 1 1 293.370 3.201 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831539160 633973460 /nfs/dbraw/zinc/97/34/60/633973460.db2.gz NBIXQKUDQHHJCD-HNNXBMFYSA-N 1 1 272.348 3.188 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](OC3CCC3)CC2)C1 ZINC000872280810 634100286 /nfs/dbraw/zinc/10/02/86/634100286.db2.gz PVSHQZXCGWCXMC-IIAWOOMASA-N 1 1 262.397 3.102 20 30 CGEDMO CC(C)[C@@H]1[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CC12CCCC2 ZINC000834392701 634160660 /nfs/dbraw/zinc/16/06/60/634160660.db2.gz MXZGUQRWKGQKIB-MSOLQXFVSA-N 1 1 298.430 3.492 20 30 CGEDMO Cc1cc(C)c(O)c(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)c1 ZINC000872681481 634185696 /nfs/dbraw/zinc/18/56/96/634185696.db2.gz HULWMFSFORVHAC-HIFRSBDPSA-N 1 1 258.365 3.133 20 30 CGEDMO C#CCCC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000834607560 634196982 /nfs/dbraw/zinc/19/69/82/634196982.db2.gz ZBWXMRDGOXOVOZ-VAMGGRTRSA-N 1 1 296.458 3.433 20 30 CGEDMO CCCCCCCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000836938174 634832739 /nfs/dbraw/zinc/83/27/39/634832739.db2.gz GHMUJZXJBOHNHV-MQVJKMGUSA-N 1 1 280.456 3.478 20 30 CGEDMO C[C@@H]1CC[N@H+](Cc2cc(C#N)cnc2Cl)C[C@@H]1C ZINC000876745176 634890976 /nfs/dbraw/zinc/89/09/76/634890976.db2.gz GGZBJMPIPKJYSC-MNOVXSKESA-N 1 1 263.772 3.085 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cc(C#N)cnc2Cl)C[C@@H]1C ZINC000876745176 634890977 /nfs/dbraw/zinc/89/09/77/634890977.db2.gz GGZBJMPIPKJYSC-MNOVXSKESA-N 1 1 263.772 3.085 20 30 CGEDMO C#CCCCCCC[NH2+]C1CCN(CC2CC2)CC1 ZINC000876946643 634933319 /nfs/dbraw/zinc/93/33/19/634933319.db2.gz NNSRVEOAYUFUPR-UHFFFAOYSA-N 1 1 262.441 3.034 20 30 CGEDMO CCOc1cc(F)cc(C[NH+]2CCC(C)(C#N)CC2)c1 ZINC000877182158 635008859 /nfs/dbraw/zinc/00/88/59/635008859.db2.gz KBLVXQOGNBYPCK-UHFFFAOYSA-N 1 1 276.355 3.350 20 30 CGEDMO C=CC(C)(C)CCCNC(=O)[C@@H]([NH3+])c1ccc(F)cc1F ZINC000877304380 635021182 /nfs/dbraw/zinc/02/11/82/635021182.db2.gz ZOBLOMMLGJKXFY-AWEZNQCLSA-N 1 1 296.361 3.073 20 30 CGEDMO CCOc1ccc(/C=N\CCCC[N@@H+](C)C2CC2)c(O)c1 ZINC000840708410 635037975 /nfs/dbraw/zinc/03/79/75/635037975.db2.gz APYLQZRKPNEBFP-AQTBWJFISA-N 1 1 290.407 3.084 20 30 CGEDMO C#C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000877541497 635081157 /nfs/dbraw/zinc/08/11/57/635081157.db2.gz OXGPRSRMESURCV-WQVCFCJDSA-N 1 1 276.811 3.087 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000877589842 635104429 /nfs/dbraw/zinc/10/44/29/635104429.db2.gz LLNJGTCQKJAFHF-KRWDZBQOSA-N 1 1 290.451 3.047 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1ccc2c(c1)COC2 ZINC000877703622 635155666 /nfs/dbraw/zinc/15/56/66/635155666.db2.gz BGECJENVCFJFAW-UHFFFAOYSA-N 1 1 292.382 3.263 20 30 CGEDMO Cc1ccc(C[N@@H+](C)CCc2cccc(C#N)c2)o1 ZINC000877703916 635156036 /nfs/dbraw/zinc/15/60/36/635156036.db2.gz GIWRIPKQZRXSEH-UHFFFAOYSA-N 1 1 254.333 3.134 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)cc1F ZINC000877718594 635162781 /nfs/dbraw/zinc/16/27/81/635162781.db2.gz NIIIMESYWKTNPA-GASCZTMLSA-N 1 1 256.324 3.095 20 30 CGEDMO COc1ccccc1[C@@H]1C[N@H+](C[C@@H](C)CCC#N)CCO1 ZINC000877755480 635184129 /nfs/dbraw/zinc/18/41/29/635184129.db2.gz KYOXNTUXFCIQGN-YOEHRIQHSA-N 1 1 288.391 3.008 20 30 CGEDMO COc1ccccc1[C@@H]1C[N@@H+](C[C@@H](C)CCC#N)CCO1 ZINC000877755480 635184132 /nfs/dbraw/zinc/18/41/32/635184132.db2.gz KYOXNTUXFCIQGN-YOEHRIQHSA-N 1 1 288.391 3.008 20 30 CGEDMO CC([NH2+]Nc1ccc(Br)nc1)=C1CC1(F)F ZINC000841624064 635200584 /nfs/dbraw/zinc/20/05/84/635200584.db2.gz BFPAYIXOJMJYGO-QMMMGPOBSA-N 1 1 290.111 3.287 20 30 CGEDMO COC(=O)c1ccc(N[NH2+]C(C)=C2CC2(F)F)c(F)c1 ZINC000841643759 635207335 /nfs/dbraw/zinc/20/73/35/635207335.db2.gz RCUBYBIPNUYJSJ-SECBINFHSA-N 1 1 286.253 3.055 20 30 CGEDMO C[C@@H]1C[N@@H+](CC(C)(C)CCC#N)CC[C@@H](C(F)(F)F)O1 ZINC000877825184 635228909 /nfs/dbraw/zinc/22/89/09/635228909.db2.gz XYAVHQBGEPASEJ-NEPJUHHUSA-N 1 1 292.345 3.358 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)cc1 ZINC000841891097 635249232 /nfs/dbraw/zinc/24/92/32/635249232.db2.gz UMJGVOWNRIQMHS-YJNKXOJESA-N 1 1 272.392 3.454 20 30 CGEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)[C@@H](C)C(C)C)c1ccccc1 ZINC000877928804 635274904 /nfs/dbraw/zinc/27/49/04/635274904.db2.gz JIGQGBNEMINROC-YJBOKZPZSA-N 1 1 286.419 3.403 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000877935547 635278867 /nfs/dbraw/zinc/27/88/67/635278867.db2.gz TYRJGGPRNGFPSN-MAUKXSAKSA-N 1 1 284.403 3.159 20 30 CGEDMO C#CCCCCC[N@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000877947647 635283187 /nfs/dbraw/zinc/28/31/87/635283187.db2.gz QOTNHDHBVJDFLG-UHFFFAOYSA-N 1 1 286.419 3.367 20 30 CGEDMO C=CC[NH+](CC=C)CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000877957562 635289453 /nfs/dbraw/zinc/28/94/53/635289453.db2.gz AUUWZBHDRYMZJM-GOSISDBHSA-N 1 1 282.387 3.101 20 30 CGEDMO C#CCCCCC[N@H+]1CCCC[C@H]1c1noc(C)n1 ZINC000877980631 635304322 /nfs/dbraw/zinc/30/43/22/635304322.db2.gz LTNXFMXAXIKKDN-AWEZNQCLSA-N 1 1 261.369 3.099 20 30 CGEDMO C#CCCCCC[N@@H+]1CCCC[C@H]1c1noc(C)n1 ZINC000877980631 635304325 /nfs/dbraw/zinc/30/43/25/635304325.db2.gz LTNXFMXAXIKKDN-AWEZNQCLSA-N 1 1 261.369 3.099 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000877984754 635305682 /nfs/dbraw/zinc/30/56/82/635305682.db2.gz NKEXXWHJKINWKR-OAHLLOKOSA-N 1 1 274.408 3.172 20 30 CGEDMO CC[C@@H]1CCC[N@H+]1CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878046371 635336625 /nfs/dbraw/zinc/33/66/25/635336625.db2.gz YBNCDQUGGJHEMX-QZTJIDSGSA-N 1 1 284.403 3.301 20 30 CGEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1CC[C@@H](C(C)C)C1)c1ccccc1 ZINC000878182760 635398279 /nfs/dbraw/zinc/39/82/79/635398279.db2.gz SYXUHUSKOUPPJL-MJGOQNOKSA-N 1 1 298.430 3.405 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000878213994 635416984 /nfs/dbraw/zinc/41/69/84/635416984.db2.gz OLNDIPOMWWIBQW-CABCVRRESA-N 1 1 287.407 3.005 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCC[C@@H](CCC(=O)OCC)C1 ZINC000878293417 635446704 /nfs/dbraw/zinc/44/67/04/635446704.db2.gz JDMCPWLEWSQJBL-KGLIPLIRSA-N 1 1 253.386 3.006 20 30 CGEDMO C#CCCCCC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000878322935 635461499 /nfs/dbraw/zinc/46/14/99/635461499.db2.gz SFBOLTZWZOALGL-SFHVURJKSA-N 1 1 282.387 3.125 20 30 CGEDMO C#CCCCCC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000878322935 635461506 /nfs/dbraw/zinc/46/15/06/635461506.db2.gz SFBOLTZWZOALGL-SFHVURJKSA-N 1 1 282.387 3.125 20 30 CGEDMO C#CCCCCC[N@@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000878435571 635508547 /nfs/dbraw/zinc/50/85/47/635508547.db2.gz NHYUNZURIUVMFG-MRXNPFEDSA-N 1 1 279.424 3.234 20 30 CGEDMO C#CCCCCC[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000878442842 635511250 /nfs/dbraw/zinc/51/12/50/635511250.db2.gz RJJURFJJMMTCAW-SFHVURJKSA-N 1 1 269.388 3.311 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000878634853 635582367 /nfs/dbraw/zinc/58/23/67/635582367.db2.gz NAZXBSDPYKOUEV-FUHWJXTLSA-N 1 1 273.420 3.268 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCCOC(F)(F)F ZINC000878728063 635618045 /nfs/dbraw/zinc/61/80/45/635618045.db2.gz IBZALZWTOZACFU-NSHDSACASA-N 1 1 286.297 3.478 20 30 CGEDMO C#CCOc1ccc([C@@H](C)[NH2+]Cc2cscn2)cc1 ZINC000127319975 635620758 /nfs/dbraw/zinc/62/07/58/635620758.db2.gz RURSKTAVFNPAFF-GFCCVEGCSA-N 1 1 272.373 3.006 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](c2cccnc2)C1 ZINC000878755360 635623670 /nfs/dbraw/zinc/62/36/70/635623670.db2.gz DMWMKUYJCVUKGJ-HNNXBMFYSA-N 1 1 295.361 3.472 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H](c2cccnc2)C1 ZINC000878755360 635623671 /nfs/dbraw/zinc/62/36/71/635623671.db2.gz DMWMKUYJCVUKGJ-HNNXBMFYSA-N 1 1 295.361 3.472 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CCOCC3)O2)C1 ZINC000878915580 635656793 /nfs/dbraw/zinc/65/67/93/635656793.db2.gz WSPFBQAXGVBWDI-HZPDHXFCSA-N 1 1 279.424 3.003 20 30 CGEDMO C[N@@H+](CC(C)(C)CCC#N)C[C@@]1(O)CCc2ccccc21 ZINC000843420309 635665213 /nfs/dbraw/zinc/66/52/13/635665213.db2.gz BMSKABAVXSWSGQ-SFHVURJKSA-N 1 1 286.419 3.082 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2C)C1 ZINC000843423264 635667117 /nfs/dbraw/zinc/66/71/17/635667117.db2.gz BJOMCESHPJVWBN-QGZVFWFLSA-N 1 1 293.414 3.416 20 30 CGEDMO Cc1cnc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)s1 ZINC000879023994 635684137 /nfs/dbraw/zinc/68/41/37/635684137.db2.gz SHOFCLYAZVATPZ-UHFFFAOYSA-N 1 1 298.415 3.098 20 30 CGEDMO N#CCc1cccc2c1CC[N@@H+](C[C@@H]1C[C@@H]3CCC[C@H]3O1)C2 ZINC000879064297 635693295 /nfs/dbraw/zinc/69/32/95/635693295.db2.gz BHSVRAJSCXAAGQ-VDZJLULYSA-N 1 1 296.414 3.068 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000879240734 635731374 /nfs/dbraw/zinc/73/13/74/635731374.db2.gz FWLGTWQMXLZTFP-GOEBONIOSA-N 1 1 290.451 3.064 20 30 CGEDMO C[N@@H+](CCCCC(C)(C)C#N)C[C@H](O)c1cccc(C#N)c1 ZINC000844371342 635882777 /nfs/dbraw/zinc/88/27/77/635882777.db2.gz NGLPVWVZHBYHEJ-KRWDZBQOSA-N 1 1 299.418 3.244 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000879995410 635892989 /nfs/dbraw/zinc/89/29/89/635892989.db2.gz DTJRGOVDUGPRQG-HNNXBMFYSA-N 1 1 276.355 3.219 20 30 CGEDMO CN1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC1(C#N)CCCCC1 ZINC000880142622 635924638 /nfs/dbraw/zinc/92/46/38/635924638.db2.gz RFLJBFKTPRKDKA-JKSUJKDBSA-N 1 1 275.440 3.019 20 30 CGEDMO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2CCC1(C#N)CCCCC1 ZINC000880142622 635924641 /nfs/dbraw/zinc/92/46/41/635924641.db2.gz RFLJBFKTPRKDKA-JKSUJKDBSA-N 1 1 275.440 3.019 20 30 CGEDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2CCC1(C#N)CCCCC1 ZINC000880142622 635924643 /nfs/dbraw/zinc/92/46/43/635924643.db2.gz RFLJBFKTPRKDKA-JKSUJKDBSA-N 1 1 275.440 3.019 20 30 CGEDMO N#CCOc1ccc(Cl)cc1C[N@@H+]1CC[C@H](CF)C1 ZINC000880294647 635967343 /nfs/dbraw/zinc/96/73/43/635967343.db2.gz WUJYJAJCJGVRRG-LLVKDONJSA-N 1 1 282.746 3.034 20 30 CGEDMO Cc1cc(C[N@H+]2CC[C@@H](c3nccs3)C2)ccc1C#N ZINC000880321455 635974324 /nfs/dbraw/zinc/97/43/24/635974324.db2.gz UKAYETMUZQYPAN-OAHLLOKOSA-N 1 1 283.400 3.313 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CC[C@H](c3nccs3)C2)cc1 ZINC000880320122 635974962 /nfs/dbraw/zinc/97/49/62/635974962.db2.gz OZHMCWVILSFPBY-AWEZNQCLSA-N 1 1 286.375 3.123 20 30 CGEDMO C#CC[N@@H+](Cc1cc2cnccc2o1)C1CCCC1 ZINC000845910221 636118217 /nfs/dbraw/zinc/11/82/17/636118217.db2.gz MATBOTNQELACMC-UHFFFAOYSA-N 1 1 254.333 3.206 20 30 CGEDMO Cc1cc(C#N)ccc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000846754351 636229040 /nfs/dbraw/zinc/22/90/40/636229040.db2.gz KIWOBNLUPGBFOA-QFBILLFUSA-N 1 1 295.430 3.320 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)CCC(C)(C)C2CC2)n1 ZINC000846878059 636268101 /nfs/dbraw/zinc/26/81/01/636268101.db2.gz AIQDIIUHPQGCLQ-UHFFFAOYSA-N 1 1 273.424 3.165 20 30 CGEDMO C#C[C@H]1CCC[N@H+](C[C@H](O)c2cccc3ccccc32)C1 ZINC000847020201 636312335 /nfs/dbraw/zinc/31/23/35/636312335.db2.gz XHVFPWDDABFYSF-KXBFYZLASA-N 1 1 279.383 3.218 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)c2nc3ccccc3o2)C1 ZINC000847022603 636314020 /nfs/dbraw/zinc/31/40/20/636314020.db2.gz VUALVZYDHMUPEU-CHWSQXEVSA-N 1 1 254.333 3.234 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000847023524 636315815 /nfs/dbraw/zinc/31/58/15/636315815.db2.gz NGHYSNUNWDLMAD-DOMZBBRYSA-N 1 1 297.320 3.084 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000847024798 636316056 /nfs/dbraw/zinc/31/60/56/636316056.db2.gz LFUZXGXXGDYJQK-LLVKDONJSA-N 1 1 278.739 3.093 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000847024798 636316058 /nfs/dbraw/zinc/31/60/58/636316058.db2.gz LFUZXGXXGDYJQK-LLVKDONJSA-N 1 1 278.739 3.093 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(SC)c(OC)c2)C1 ZINC000847026582 636316814 /nfs/dbraw/zinc/31/68/14/636316814.db2.gz QCEJODGFQBDYKG-CYBMUJFWSA-N 1 1 275.417 3.262 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000847026579 636317718 /nfs/dbraw/zinc/31/77/18/636317718.db2.gz QBQHCYIGQJAWGK-CQSZACIVSA-N 1 1 250.345 3.080 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000847029982 636318960 /nfs/dbraw/zinc/31/89/60/636318960.db2.gz ORQKFINQIVLXJS-JKSUJKDBSA-N 1 1 298.430 3.482 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000847029982 636318963 /nfs/dbraw/zinc/31/89/63/636318963.db2.gz ORQKFINQIVLXJS-JKSUJKDBSA-N 1 1 298.430 3.482 20 30 CGEDMO CC1(C)CCC[C@H]1NN=C1CCC[N@H+]2CCCC[C@H]12 ZINC000848410065 636569937 /nfs/dbraw/zinc/56/99/37/636569937.db2.gz HDPFMEJZIVJWHZ-HUUCEWRRSA-N 1 1 263.429 3.159 20 30 CGEDMO C#CC[C@H]([NH2+][C@H]1CCCn2ccnc21)c1ccccc1 ZINC000848535602 636593331 /nfs/dbraw/zinc/59/33/31/636593331.db2.gz DYWHNMZFYWHDFR-HOTGVXAUSA-N 1 1 265.360 3.072 20 30 CGEDMO Cc1ccc(C)c(Cc2noc([C@H]([NH3+])CCCCC#N)n2)c1 ZINC000848622614 636622446 /nfs/dbraw/zinc/62/24/46/636622446.db2.gz ZAJARBAHVGPHNA-OAHLLOKOSA-N 1 1 298.390 3.361 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000848923517 636693725 /nfs/dbraw/zinc/69/37/25/636693725.db2.gz GIBHRBBMBDCAMS-LLVKDONJSA-N 1 1 283.293 3.272 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(C)cc2)C1 ZINC000848923138 636694318 /nfs/dbraw/zinc/69/43/18/636694318.db2.gz GXJCLXFSTMDZCC-OAHLLOKOSA-N 1 1 279.387 3.230 20 30 CGEDMO Cc1nc(C)c(C[NH2+]CC2(C#N)CCCCC2)s1 ZINC000850390642 637044065 /nfs/dbraw/zinc/04/40/65/637044065.db2.gz MCJFENRMSDYYCO-UHFFFAOYSA-N 1 1 263.410 3.324 20 30 CGEDMO Cc1ccc(-c2nc(CO[NH+]=C(N)CC(C)C)co2)cc1 ZINC000109316967 637044596 /nfs/dbraw/zinc/04/45/96/637044596.db2.gz NZRPKBRUEKKRFE-UHFFFAOYSA-N 1 1 287.363 3.485 20 30 CGEDMO C=C(Br)C[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000850431956 637059564 /nfs/dbraw/zinc/05/95/64/637059564.db2.gz NPCXLZOFQOUVCE-VIFPVBQESA-N 1 1 281.153 3.387 20 30 CGEDMO CC[N@H+](Cc1ccccc1C)C[C@@H](O)CC1(C#N)CCC1 ZINC000885942759 637323768 /nfs/dbraw/zinc/32/37/68/637323768.db2.gz RNADJSWKNUQYSW-KRWDZBQOSA-N 1 1 286.419 3.262 20 30 CGEDMO CC[N@@H+](C[C@@H]1C[C@@]12CCOC2)[C@@H](C)c1ccc(C#N)cc1 ZINC000885965960 637336689 /nfs/dbraw/zinc/33/66/89/637336689.db2.gz ZHIOQDCWSBXABG-JCGIZDLHSA-N 1 1 284.403 3.368 20 30 CGEDMO CC(C)[N@@H+](C[C@@H](O)CC1(C#N)CCC1)C1CCCC1 ZINC000886062914 637396422 /nfs/dbraw/zinc/39/64/22/637396422.db2.gz YZJDLXRVXAMENA-HNNXBMFYSA-N 1 1 264.413 3.084 20 30 CGEDMO C=CCCCC(=O)OC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000851467158 637408540 /nfs/dbraw/zinc/40/85/40/637408540.db2.gz QFCVMJWMFDJHQB-INIZCTEOSA-N 1 1 273.376 3.160 20 30 CGEDMO N#CC1(c2ccc(C[NH2+]Cc3cc(C4CC4)no3)cc2)CC1 ZINC000886269473 637474773 /nfs/dbraw/zinc/47/47/73/637474773.db2.gz VWOSDQFSPXCRTB-UHFFFAOYSA-N 1 1 293.370 3.397 20 30 CGEDMO C/C=C\C[C@@H]1CCC[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886303834 637491202 /nfs/dbraw/zinc/49/12/02/637491202.db2.gz HHHMUOLSNKPIHY-INQOVCNISA-N 1 1 276.424 3.109 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC000886366086 637515868 /nfs/dbraw/zinc/51/58/68/637515868.db2.gz WXDUNUYOIZRVPW-SNVBAGLBSA-N 1 1 257.255 3.144 20 30 CGEDMO C[C@@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)c1c(O)cccc1F ZINC000886647975 637628781 /nfs/dbraw/zinc/62/87/81/637628781.db2.gz IDEFCOBEPOUONV-IAQYHMDHSA-N 1 1 296.345 3.221 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000852320737 637634770 /nfs/dbraw/zinc/63/47/70/637634770.db2.gz OGGBAXOMEVPHIV-QWRGUYRKSA-N 1 1 261.196 3.196 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2c(C)nn(C)c2Cl)C1 ZINC000852410363 637647003 /nfs/dbraw/zinc/64/70/03/637647003.db2.gz LJNZPDTXTIXIJF-GFCCVEGCSA-N 1 1 267.804 3.170 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@@H](Cc2nc(C)cs2)C1 ZINC000886692146 637656761 /nfs/dbraw/zinc/65/67/61/637656761.db2.gz SRQIHILPJQVAHN-AWEZNQCLSA-N 1 1 262.422 3.119 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000852497605 637663342 /nfs/dbraw/zinc/66/33/42/637663342.db2.gz VYUKAAMZUAUJNH-CVEARBPZSA-N 1 1 280.456 3.338 20 30 CGEDMO C#Cc1cccnc1NCc1cccc(C[N@H+](C)CC)c1 ZINC000853228630 637787964 /nfs/dbraw/zinc/78/79/64/637787964.db2.gz OGLUEOJDDOAQAN-UHFFFAOYSA-N 1 1 279.387 3.127 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](CN2C(=O)C[C@@H]2c2ccccc2)C1 ZINC000853537100 637864488 /nfs/dbraw/zinc/86/44/88/637864488.db2.gz PBGPMGABRVBYQH-DOTOQJQBSA-N 1 1 284.403 3.206 20 30 CGEDMO CCCCCCCC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000855287927 638165100 /nfs/dbraw/zinc/16/51/00/638165100.db2.gz YRMSVDCZRGAEHQ-AWEZNQCLSA-N 1 1 268.445 3.336 20 30 CGEDMO Oc1ccccc1/C=N/C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000114630789 638395830 /nfs/dbraw/zinc/39/58/30/638395830.db2.gz BZRONSYOQCBJRZ-JZQBQCRLSA-N 1 1 294.398 3.476 20 30 CGEDMO C=CCN(C(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1)C1CC1 ZINC000857171562 638467106 /nfs/dbraw/zinc/46/71/06/638467106.db2.gz DZJFBYCRPLWRCF-KRWDZBQOSA-N 1 1 298.430 3.286 20 30 CGEDMO C#CC[C@@H]([NH2+][C@H](C)c1cc(OC)no1)c1ccccc1 ZINC000925635403 638551471 /nfs/dbraw/zinc/55/14/71/638551471.db2.gz QSRMNODSUHJVQV-TZMCWYRMSA-N 1 1 270.332 3.098 20 30 CGEDMO N#Cc1ccc(C2([NH2+][C@@H]3CCCc4c[nH]nc43)CCC2)cc1 ZINC000857873147 638589891 /nfs/dbraw/zinc/58/98/91/638589891.db2.gz VFMGMGVRJPIYEP-MRXNPFEDSA-N 1 1 292.386 3.328 20 30 CGEDMO C=CC[C@H](C)[C@H](C)[N@H+]1CCOc2ccc(N)cc2C1 ZINC000925753140 638596656 /nfs/dbraw/zinc/59/66/56/638596656.db2.gz NGXPSGDSMMCKRZ-STQMWFEESA-N 1 1 260.381 3.064 20 30 CGEDMO C[C@@H]1C[C@H]([NH2+][C@H](CCCC#N)c2ccccc2)c2ncnn21 ZINC000926479699 638775279 /nfs/dbraw/zinc/77/52/79/638775279.db2.gz MGERRMTWCPZSTR-BMFZPTHFSA-N 1 1 295.390 3.309 20 30 CGEDMO C=C1CCC(C[NH2+][C@@H]2CCN(CC)C[C@@H]2C)CC1 ZINC000926927166 638826813 /nfs/dbraw/zinc/82/68/13/638826813.db2.gz OXUGYNLELWCOQW-GOEBONIOSA-N 1 1 250.430 3.053 20 30 CGEDMO C[N@H+](Cc1ccc2c(c1)OCO2)CC1CCC(C#N)CC1 ZINC000929225970 638910676 /nfs/dbraw/zinc/91/06/76/638910676.db2.gz VZMUVUPLAPCMOW-UHFFFAOYSA-N 1 1 286.375 3.177 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cncc(C#N)c2)[C@H]2CCCC[C@@H]12 ZINC000929259531 638912614 /nfs/dbraw/zinc/91/26/14/638912614.db2.gz GAAMXJDOVGLWTO-COXVUDFISA-N 1 1 269.392 3.354 20 30 CGEDMO N#Cc1cncc(C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)c1 ZINC000929290185 638915963 /nfs/dbraw/zinc/91/59/63/638915963.db2.gz WGMWXEQLMBLLGC-GOSISDBHSA-N 1 1 295.361 3.299 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(C)nnc1C ZINC000929316611 638918238 /nfs/dbraw/zinc/91/82/38/638918238.db2.gz HNSOFEMDTHTVFJ-UHFFFAOYSA-N 1 1 297.402 3.290 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(C)nnc1C ZINC000929316611 638918240 /nfs/dbraw/zinc/91/82/40/638918240.db2.gz HNSOFEMDTHTVFJ-UHFFFAOYSA-N 1 1 297.402 3.290 20 30 CGEDMO C#CC[N@@H+](Cc1[nH]c(C)nc1C)[C@H]1CCc2ccccc21 ZINC000929335555 638919448 /nfs/dbraw/zinc/91/94/48/638919448.db2.gz VICLQBZIEFKRIC-SFHVURJKSA-N 1 1 279.387 3.149 20 30 CGEDMO C#CC[N@H+](Cc1[nH]c(C)nc1C)[C@H]1CCc2ccccc21 ZINC000929335555 638919450 /nfs/dbraw/zinc/91/94/50/638919450.db2.gz VICLQBZIEFKRIC-SFHVURJKSA-N 1 1 279.387 3.149 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1cc(C)nnc1C ZINC000929361115 638921133 /nfs/dbraw/zinc/92/11/33/638921133.db2.gz DCNGGICTRRHBCK-UHFFFAOYSA-N 1 1 281.403 3.324 20 30 CGEDMO CCC[N@@H+](Cc1ccc(OC)cc1)Cc1cncc(C#N)c1 ZINC000929381411 638922740 /nfs/dbraw/zinc/92/27/40/638922740.db2.gz JXSDTNLXEXVDIT-UHFFFAOYSA-N 1 1 295.386 3.374 20 30 CGEDMO Cc1ccccc1[C@@H]1CC[N@@H+](Cc2cncc(C#N)c2)C1 ZINC000929457920 638926639 /nfs/dbraw/zinc/92/66/39/638926639.db2.gz LJYBPBRBWDXKKV-QGZVFWFLSA-N 1 1 277.371 3.251 20 30 CGEDMO C=C1CC[NH+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)CC1 ZINC000929602827 638933741 /nfs/dbraw/zinc/93/37/41/638933741.db2.gz DEAZJJQKZOBMHT-RYUDHWBXSA-N 1 1 263.303 3.138 20 30 CGEDMO CC[C@H]1C[N@@H+](CCCCC2(C#N)CCC2)C[C@@H](C)O1 ZINC000929618465 638935006 /nfs/dbraw/zinc/93/50/06/638935006.db2.gz AHVTWEIMBPPRLA-CABCVRRESA-N 1 1 264.413 3.350 20 30 CGEDMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2cncc(C#N)c2)C1 ZINC000929751354 638947279 /nfs/dbraw/zinc/94/72/79/638947279.db2.gz TVHOJXKUYYHHHV-CABCVRRESA-N 1 1 275.421 3.059 20 30 CGEDMO C[C@@H](c1ccncc1)[N@@H+](C)CC1CCC(C#N)CC1 ZINC000930119258 638975923 /nfs/dbraw/zinc/97/59/23/638975923.db2.gz MRVSAHVJOBSBGU-NFOMZHRRSA-N 1 1 257.381 3.404 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](CCc3ccns3)CC2)cc1 ZINC000930159095 638978233 /nfs/dbraw/zinc/97/82/33/638978233.db2.gz SASVTRBFBNHTJO-UHFFFAOYSA-N 1 1 295.411 3.347 20 30 CGEDMO C#CCCCCCCN1CCC2(CCC[N@@H+]2C)CC1 ZINC000930171315 638978955 /nfs/dbraw/zinc/97/89/55/638978955.db2.gz NVQGIEAGDZSCNR-UHFFFAOYSA-N 1 1 262.441 3.130 20 30 CGEDMO CC[C@@H]1C[N@H+](CCCCC2(C#N)CCC2)C[C@@H](C)[S@@]1=O ZINC000930458565 639002763 /nfs/dbraw/zinc/00/27/63/639002763.db2.gz PUCDBMCMNLJGJD-SXGZJXTBSA-N 1 1 296.480 3.082 20 30 CGEDMO CC[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)C[C@@H](C)[S@@]1=O ZINC000930458565 639002768 /nfs/dbraw/zinc/00/27/68/639002768.db2.gz PUCDBMCMNLJGJD-SXGZJXTBSA-N 1 1 296.480 3.082 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H]1C[C@H]1CC ZINC000930456306 639002860 /nfs/dbraw/zinc/00/28/60/639002860.db2.gz RYGLKDZNFHOMHS-KGLIPLIRSA-N 1 1 263.381 3.196 20 30 CGEDMO N#Cc1sc(NC[C@H]2CC[N@H+]2C2CCCC2)nc1Cl ZINC000858781999 639021373 /nfs/dbraw/zinc/02/13/73/639021373.db2.gz ZACPVLLLEBSVRJ-SNVBAGLBSA-N 1 1 296.827 3.097 20 30 CGEDMO N#CCCC[C@H]([NH2+]Cc1nncs1)c1ccccc1 ZINC000930568259 639027942 /nfs/dbraw/zinc/02/79/42/639027942.db2.gz FPXJUDGDRYHFND-ZDUSSCGKSA-N 1 1 272.377 3.063 20 30 CGEDMO COC[C@]1(C)CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000930603832 639035307 /nfs/dbraw/zinc/03/53/07/639035307.db2.gz RXCGFXCMVYUSML-OAHLLOKOSA-N 1 1 264.413 3.209 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2c(C)cc(C#N)cc2C)C[C@H]1C ZINC000930638407 639043094 /nfs/dbraw/zinc/04/30/94/639043094.db2.gz NWOCEDNAUBQLIW-PBHICJAKSA-N 1 1 272.392 3.032 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](N(C)Cc2cc(Cl)cc(C#N)c2)C1 ZINC000930673646 639051620 /nfs/dbraw/zinc/05/16/20/639051620.db2.gz TXRJEFPTTXLURS-MRXNPFEDSA-N 1 1 291.826 3.126 20 30 CGEDMO N#CC1CCC(C[N@H+]2CC[C@H](Oc3ccccc3)C2)CC1 ZINC000930810395 639070179 /nfs/dbraw/zinc/07/01/79/639070179.db2.gz PYGCEVHTOOUDMR-HTWSVDAQSA-N 1 1 284.403 3.470 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000930815215 639070916 /nfs/dbraw/zinc/07/09/16/639070916.db2.gz BNKVCXYFJNOTIM-YIYPIFLZSA-N 1 1 253.336 3.013 20 30 CGEDMO N#Cc1cncc(C[NH2+]C2(c3ccccc3Cl)CC2)c1 ZINC000930814283 639071521 /nfs/dbraw/zinc/07/15/21/639071521.db2.gz KJIZIBQISWVHHW-UHFFFAOYSA-N 1 1 283.762 3.386 20 30 CGEDMO C[N@H+](Cc1ccccc1CF)C[C@H](O)c1cccc(C#N)c1 ZINC000930844538 639075042 /nfs/dbraw/zinc/07/50/42/639075042.db2.gz CVDLLUVAYNWXAE-SFHVURJKSA-N 1 1 298.361 3.193 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2c(F)cncc2F)C1 ZINC000930963654 639091207 /nfs/dbraw/zinc/09/12/07/639091207.db2.gz WELRWFJCCBNHGU-LLVKDONJSA-N 1 1 252.308 3.148 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2c(F)cncc2F)C1 ZINC000930963654 639091209 /nfs/dbraw/zinc/09/12/09/639091209.db2.gz WELRWFJCCBNHGU-LLVKDONJSA-N 1 1 252.308 3.148 20 30 CGEDMO C[C@H](CO)[C@@H]1CCCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000930966846 639091339 /nfs/dbraw/zinc/09/13/39/639091339.db2.gz ZMKGLVMDQNUZIL-CVEARBPZSA-N 1 1 278.440 3.333 20 30 CGEDMO C#CC1(O)CC[NH+]([C@@H](C)c2cccc(Cl)c2F)CC1 ZINC000931151552 639118778 /nfs/dbraw/zinc/11/87/78/639118778.db2.gz YCLAZNIHHAZOJQ-NSHDSACASA-N 1 1 281.758 3.000 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000859499556 639151131 /nfs/dbraw/zinc/15/11/31/639151131.db2.gz RKNJDEZVAKYCEY-ZYHUDNBSSA-N 1 1 291.700 3.263 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000931477293 639157781 /nfs/dbraw/zinc/15/77/81/639157781.db2.gz PVWOOXBOPPGVCT-HNNXBMFYSA-N 1 1 294.345 3.031 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000931920598 639230297 /nfs/dbraw/zinc/23/02/97/639230297.db2.gz YUWNSXSTQVAVCD-CYBMUJFWSA-N 1 1 298.283 3.425 20 30 CGEDMO N#Cc1cnccc1C[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859926084 639254375 /nfs/dbraw/zinc/25/43/75/639254375.db2.gz IDXBQKODEXANJI-YTQUADARSA-N 1 1 289.382 3.189 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](c2ccn(C)n2)C1 ZINC000932135737 639271200 /nfs/dbraw/zinc/27/12/00/639271200.db2.gz NETCYPNTAKMULT-WMLDXEAASA-N 1 1 294.402 3.232 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCn2nc(C(F)(F)F)cc2C1 ZINC000932592467 639364313 /nfs/dbraw/zinc/36/43/13/639364313.db2.gz COMJNKAEBYXTAX-UHFFFAOYSA-N 1 1 299.340 3.301 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000932701665 639374422 /nfs/dbraw/zinc/37/44/22/639374422.db2.gz LUFFKWYXFRUQLY-ZIAGYGMSSA-N 1 1 282.428 3.045 20 30 CGEDMO Cc1csc(C[C@@H]2CC[N@@H+](CCC(C)(C)C#N)C2)n1 ZINC000933125362 639421872 /nfs/dbraw/zinc/42/18/72/639421872.db2.gz FWHFZYNJTSEQTB-ZDUSSCGKSA-N 1 1 277.437 3.256 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000933268828 639434341 /nfs/dbraw/zinc/43/43/41/639434341.db2.gz IXGSNLSYEXRBAG-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C#CC[N@@H+](Cc1cnc(C)o1)[C@H]1CCCc2ccccc21 ZINC000933420306 639448916 /nfs/dbraw/zinc/44/89/16/639448916.db2.gz NKTABYZSHZQBQC-SFHVURJKSA-N 1 1 280.371 3.496 20 30 CGEDMO C#CC[N@H+](Cc1cnc(C)o1)[C@H]1CCCc2ccccc21 ZINC000933420306 639448920 /nfs/dbraw/zinc/44/89/20/639448920.db2.gz NKTABYZSHZQBQC-SFHVURJKSA-N 1 1 280.371 3.496 20 30 CGEDMO COc1ccc([C@@H](C)[NH2+]C[C@@H](C#N)CCC#N)cc1C ZINC000933489853 639453832 /nfs/dbraw/zinc/45/38/32/639453832.db2.gz NNQYZHUHQVHVPD-ZIAGYGMSSA-N 1 1 271.364 3.098 20 30 CGEDMO N#Cc1ccc([C@@H]2C[N@@H+]([C@@H]3C=CCCC3)CCO2)cc1 ZINC000933629009 639471737 /nfs/dbraw/zinc/47/17/37/639471737.db2.gz RBCVFUKQZGKBBA-SJORKVTESA-N 1 1 268.360 3.040 20 30 CGEDMO N#Cc1ccc([C@@H]2C[N@H+]([C@@H]3C=CCCC3)CCO2)cc1 ZINC000933629009 639471741 /nfs/dbraw/zinc/47/17/41/639471741.db2.gz RBCVFUKQZGKBBA-SJORKVTESA-N 1 1 268.360 3.040 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@@H]1CCC(F)(F)C1 ZINC000933770108 639487451 /nfs/dbraw/zinc/48/74/51/639487451.db2.gz JVBZXTIHJRCPGM-SNVBAGLBSA-N 1 1 270.348 3.487 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCCSC[C@H]1C1CC1 ZINC000933917269 639509119 /nfs/dbraw/zinc/50/91/19/639509119.db2.gz IMVOQJUDPKRZCC-ZDUSSCGKSA-N 1 1 252.427 3.144 20 30 CGEDMO C=CCCC[N@H+](CC)CCS(=O)(=O)C1CCCCC1 ZINC000934647695 639650775 /nfs/dbraw/zinc/65/07/75/639650775.db2.gz RWOMNPAFQBPBRU-UHFFFAOYSA-N 1 1 287.469 3.022 20 30 CGEDMO CCOc1ccc(CC[N@H+](C)C[C@H](C#N)CCC#N)cc1 ZINC000934724553 639667329 /nfs/dbraw/zinc/66/73/29/639667329.db2.gz AFLUFOKCZIQATQ-INIZCTEOSA-N 1 1 285.391 3.003 20 30 CGEDMO CCOc1ccc(CC[N@@H+](C)C[C@H](C#N)CCC#N)cc1 ZINC000934724553 639667334 /nfs/dbraw/zinc/66/73/34/639667334.db2.gz AFLUFOKCZIQATQ-INIZCTEOSA-N 1 1 285.391 3.003 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N(C)CC[N@@H+](C)C2CC2)c1 ZINC000934883646 639699936 /nfs/dbraw/zinc/69/99/36/639699936.db2.gz RTRHSUDZRUAFIL-UHFFFAOYSA-N 1 1 287.407 3.278 20 30 CGEDMO C=C[C@@H](CC)CC(=O)Nc1c[nH+]ccc1-n1cc(C)cn1 ZINC000935056154 639740584 /nfs/dbraw/zinc/74/05/84/639740584.db2.gz MYXDUSLNIZSWMG-ZDUSSCGKSA-N 1 1 284.363 3.117 20 30 CGEDMO N#Cc1ccc(CO[NH+]=C(N)CCc2ccccc2)c(F)c1 ZINC000194564920 640540701 /nfs/dbraw/zinc/54/07/01/640540701.db2.gz CSXUSCVOVYLNIL-UHFFFAOYSA-N 1 1 297.333 3.119 20 30 CGEDMO C#CC[N@H+](C)[C@@H](C)c1cccc(Br)c1 ZINC000194972300 640561080 /nfs/dbraw/zinc/56/10/80/640561080.db2.gz ZXQOXOLVBUDDNA-JTQLQIEISA-N 1 1 252.155 3.075 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCS[C@@H](C)[C@@H]2C)cc1 ZINC000245754761 640636267 /nfs/dbraw/zinc/63/62/67/640636267.db2.gz OKJFBSMWZHLLFH-RDBSUJKOSA-N 1 1 290.432 3.303 20 30 CGEDMO C#CC[N@H+](Cc1cccc(OCC)c1O)C1CCCC1 ZINC000093819767 640782468 /nfs/dbraw/zinc/78/24/68/640782468.db2.gz QGFHYDGIKDNHSP-UHFFFAOYSA-N 1 1 273.376 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C2(C)CCCC2)C1 ZINC001008092903 640947261 /nfs/dbraw/zinc/94/72/61/640947261.db2.gz CMSZVYWBNDTJJM-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C2(F)CCCCC2)C1 ZINC001009099647 640956652 /nfs/dbraw/zinc/95/66/52/640956652.db2.gz YMITZTZGRCZZQB-HNNXBMFYSA-N 1 1 296.430 3.206 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001009317753 640958758 /nfs/dbraw/zinc/95/87/58/640958758.db2.gz LMESMQREXGAXAU-SFHVURJKSA-N 1 1 298.430 3.028 20 30 CGEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001009317753 640958760 /nfs/dbraw/zinc/95/87/60/640958760.db2.gz LMESMQREXGAXAU-SFHVURJKSA-N 1 1 298.430 3.028 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2cc(C)c(C)s2)C1 ZINC001009451264 640958830 /nfs/dbraw/zinc/95/88/30/640958830.db2.gz ZIMPAPCQEOTSFJ-CQSZACIVSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001009604405 640960499 /nfs/dbraw/zinc/96/04/99/640960499.db2.gz TZPPDMDYNSDSMK-AEFFLSMTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC001009768781 640962511 /nfs/dbraw/zinc/96/25/11/640962511.db2.gz PLPLUAOYGBTFPB-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001014437711 640972359 /nfs/dbraw/zinc/97/23/59/640972359.db2.gz KHGKUCFYEGPUQN-CVEARBPZSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccccc2C2(C)CC2)C1 ZINC001015689656 640984601 /nfs/dbraw/zinc/98/46/01/640984601.db2.gz NHUUWHLJQLSCLE-HNNXBMFYSA-N 1 1 298.430 3.118 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@@H](C[N@@H+](C)C(C)C)C1 ZINC001017202479 641009991 /nfs/dbraw/zinc/00/99/91/641009991.db2.gz YFPBLEMYTUMREG-DOTOQJQBSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[C@H]1C ZINC001017578932 641014066 /nfs/dbraw/zinc/01/40/66/641014066.db2.gz XTRLVJSJBPEUIZ-VQHPVUNQSA-N 1 1 290.451 3.064 20 30 CGEDMO CCN(CCC#N)c1ccc([C@H]2CCCC[N@H+]2CC)cn1 ZINC001165048619 721987670 /nfs/dbraw/zinc/98/76/70/721987670.db2.gz NXZBZNGACRPBPS-MRXNPFEDSA-N 1 1 286.423 3.368 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](F)c1ccccc1 ZINC001155503444 805586632 /nfs/dbraw/zinc/58/66/32/805586632.db2.gz PNVAZRUFQJMMNA-ZBFHGGJFSA-N 1 1 292.398 3.100 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](F)c1ccccc1 ZINC001155503443 805586158 /nfs/dbraw/zinc/58/61/58/805586158.db2.gz PNVAZRUFQJMMNA-GDBMZVCRSA-N 1 1 292.398 3.100 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)CCCCCC ZINC001155924888 805626521 /nfs/dbraw/zinc/62/65/21/805626521.db2.gz WXBJGGGWKNUFTQ-DLBZAZTESA-N 1 1 294.483 3.443 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)CCC ZINC001156046628 805646356 /nfs/dbraw/zinc/64/63/56/805646356.db2.gz RCYNPPBALPWQMX-CABCVRRESA-N 1 1 268.445 3.215 20 30 CGEDMO CNc1ccc(CNc2[nH+]c(C)ccc2CC#N)cc1 ZINC001156142038 805659322 /nfs/dbraw/zinc/65/93/22/805659322.db2.gz JBHJULGJNJXFGO-UHFFFAOYSA-N 1 1 266.348 3.110 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)CCC(C)(C)C ZINC001156403618 805684207 /nfs/dbraw/zinc/68/42/07/805684207.db2.gz KMFPBZGNKWXOCC-HZPDHXFCSA-N 1 1 294.483 3.299 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](F)CCCCCC ZINC001156403697 805684564 /nfs/dbraw/zinc/68/45/64/805684564.db2.gz ODOPSYHHWTWKBN-HZPDHXFCSA-N 1 1 298.446 3.145 20 30 CGEDMO N#Cc1ccc(CCc2[nH]c3cc4c(cc3[nH+]2)OCC4)cc1 ZINC001250581593 805706109 /nfs/dbraw/zinc/70/61/09/805706109.db2.gz HHSFVMPIRLXLLQ-UHFFFAOYSA-N 1 1 289.338 3.155 20 30 CGEDMO N#Cc1ccc(-c2ccccc2C[NH+]2CCOCC2)cc1 ZINC001250586608 805709740 /nfs/dbraw/zinc/70/97/40/805709740.db2.gz HRQQCPIJDPBDIV-UHFFFAOYSA-N 1 1 278.355 3.057 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)C(C)(C)C ZINC001156606616 805718323 /nfs/dbraw/zinc/71/83/23/805718323.db2.gz NGNMCVFZEZMJLG-LSDHHAIUSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)C(C)(C)C ZINC001156607087 805718424 /nfs/dbraw/zinc/71/84/24/805718424.db2.gz YBKAHLDKLKHQCS-ZIAGYGMSSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(CC)cc1 ZINC001156694486 805726078 /nfs/dbraw/zinc/72/60/78/805726078.db2.gz ONXJNQHVAVLTGY-OAHLLOKOSA-N 1 1 288.435 3.265 20 30 CGEDMO C[N@@H+](Cc1ccc(N[C@H]2CC[C@H](C#N)CC2)nc1)C1CC1 ZINC001157054929 805770590 /nfs/dbraw/zinc/77/05/90/805770590.db2.gz CTFQMQLULVXAGT-CTYIDZIISA-N 1 1 284.407 3.170 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCCCN1C(=O)CC ZINC001157384142 805803308 /nfs/dbraw/zinc/80/33/08/805803308.db2.gz SINYOWUZLUBOCG-HUUCEWRRSA-N 1 1 266.429 3.064 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC1CCCC1 ZINC001157464968 805817400 /nfs/dbraw/zinc/81/74/00/805817400.db2.gz PBKAOEGTPKTIMX-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CC(C)C ZINC001157470784 805820279 /nfs/dbraw/zinc/82/02/79/805820279.db2.gz QCTLOQGRBYGEDR-CQSZACIVSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)CC(C)C ZINC001157470784 805820289 /nfs/dbraw/zinc/82/02/89/805820289.db2.gz QCTLOQGRBYGEDR-CQSZACIVSA-N 1 1 286.847 3.098 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCCCN1C(=O)C(C)C ZINC001157546113 805830833 /nfs/dbraw/zinc/83/08/33/805830833.db2.gz SFERHVKXHZGORK-HZPDHXFCSA-N 1 1 280.456 3.310 20 30 CGEDMO C=CCn1cnn(C[N@@H+]2CCC[C@@H]2C2CCCC2)c1=S ZINC001251126880 805851854 /nfs/dbraw/zinc/85/18/54/805851854.db2.gz PGQVTUSFJLGWSE-CQSZACIVSA-N 1 1 292.452 3.212 20 30 CGEDMO C=CCn1cnn(C[N@H+]2CCC[C@@H]2C2CCCC2)c1=S ZINC001251126880 805851864 /nfs/dbraw/zinc/85/18/64/805851864.db2.gz PGQVTUSFJLGWSE-CQSZACIVSA-N 1 1 292.452 3.212 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)C1=CCCCCC1 ZINC001157871717 805890682 /nfs/dbraw/zinc/89/06/82/805890682.db2.gz NPIVAHDUNYTOQY-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO Cc1cccn2cc(CNc3ccc(CC#N)c(C)[nH+]3)nc12 ZINC001158159305 805924067 /nfs/dbraw/zinc/92/40/67/805924067.db2.gz SRXKWVVZFIQQGI-UHFFFAOYSA-N 1 1 291.358 3.024 20 30 CGEDMO Cc1ccc(CC#N)c(NCc2cn3cccc(C)c3n2)[nH+]1 ZINC001158158717 805924238 /nfs/dbraw/zinc/92/42/38/805924238.db2.gz HQEBMXALHHBAMU-UHFFFAOYSA-N 1 1 291.358 3.024 20 30 CGEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H](C)CCC)C2 ZINC001257319625 807104333 /nfs/dbraw/zinc/10/43/33/807104333.db2.gz ANNAPDNNPWQBOI-OWCLPIDISA-N 1 1 267.413 3.001 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)C1CCCC1 ZINC001158744484 805995505 /nfs/dbraw/zinc/99/55/05/805995505.db2.gz LHVMEABNWRRHKT-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001252126663 806013890 /nfs/dbraw/zinc/01/38/90/806013890.db2.gz RJNKFSLHQNELOY-ZACQAIPSSA-N 1 1 283.456 3.209 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1C[C@@H](C)OC[C@H]1C ZINC001252129865 806015713 /nfs/dbraw/zinc/01/57/13/806015713.db2.gz GEXHDKKAMKKWDQ-BZUAXINKSA-N 1 1 271.445 3.207 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+]1CCC[C@H]1C(=O)OCC ZINC001252130239 806016530 /nfs/dbraw/zinc/01/65/30/806016530.db2.gz NZCULWFKDDXEIY-HOTGVXAUSA-N 1 1 299.455 3.125 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@H]1C(=O)OCC ZINC001252130239 806016537 /nfs/dbraw/zinc/01/65/37/806016537.db2.gz NZCULWFKDDXEIY-HOTGVXAUSA-N 1 1 299.455 3.125 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CC[C@H](C(C)=O)C1 ZINC001252132251 806017113 /nfs/dbraw/zinc/01/71/13/806017113.db2.gz CSHJMORQQZLNFY-JKSUJKDBSA-N 1 1 269.429 3.009 20 30 CGEDMO C=CCOC[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC001252465463 806048932 /nfs/dbraw/zinc/04/89/32/806048932.db2.gz GXTVJXVFHWJGKN-XJKSGUPXSA-N 1 1 295.810 3.040 20 30 CGEDMO CCCCCCC[N@@H+](CC)C[C@@H](O)COCCCC ZINC001252511846 806053636 /nfs/dbraw/zinc/05/36/36/806053636.db2.gz CPHPLDNOOOLNKF-MRXNPFEDSA-N 1 1 273.461 3.456 20 30 CGEDMO Cc1[nH+]c(NCc2ccc(C#N)s2)ccc1CC#N ZINC001159179943 806056429 /nfs/dbraw/zinc/05/64/29/806056429.db2.gz MUFYMSKGSLVAOL-UHFFFAOYSA-N 1 1 268.345 3.001 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+](Cc1cccc(C)c1C)C1CC1 ZINC001252556251 806063589 /nfs/dbraw/zinc/06/35/89/806063589.db2.gz FLFWOFFXDGCRJT-QGZVFWFLSA-N 1 1 259.393 3.205 20 30 CGEDMO C=C[C@@](C)(O)C[N@@H+](CC)Cc1cccc(C(F)(F)F)c1 ZINC001252555947 806064016 /nfs/dbraw/zinc/06/40/16/806064016.db2.gz CFTQGWILOJVKQI-CQSZACIVSA-N 1 1 287.325 3.464 20 30 CGEDMO C=C[C@@](C)(O)C[N@@H+]1CCCC[C@@H]1c1cccc(OC)c1 ZINC001252555637 806064774 /nfs/dbraw/zinc/06/47/74/806064774.db2.gz ZGEOTGWSNINIQK-IAGOWNOFSA-N 1 1 275.392 3.159 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+]1CCC[C@@H]1c1cc2ccccc2[nH]1 ZINC001252555319 806064857 /nfs/dbraw/zinc/06/48/57/806064857.db2.gz RTDNRUNJOCXKOJ-IAGOWNOFSA-N 1 1 270.376 3.242 20 30 CGEDMO C=C[C@@](C)(O)CNc1ccc([NH+]2CCCCC2)cc1C ZINC001252566932 806070146 /nfs/dbraw/zinc/07/01/46/806070146.db2.gz OYGBNFISDMMCDQ-QGZVFWFLSA-N 1 1 274.408 3.334 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H](Oc2ccccc2C)C1 ZINC001252599685 806080377 /nfs/dbraw/zinc/08/03/77/806080377.db2.gz FPWQDBMAQZZWIH-IAGOWNOFSA-N 1 1 289.419 3.165 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](C)CCc1ccccc1Cl ZINC001252600038 806080807 /nfs/dbraw/zinc/08/08/07/806080807.db2.gz VBSKVWYYEVCMOR-CQSZACIVSA-N 1 1 267.800 3.141 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](CC)Cc1cccc(F)c1F ZINC001252602592 806081115 /nfs/dbraw/zinc/08/11/15/806081115.db2.gz VFCBRYOFCOKAKX-ZDUSSCGKSA-N 1 1 269.335 3.114 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)C(C)(C)Cc1ccccc1 ZINC001252601805 806081346 /nfs/dbraw/zinc/08/13/46/806081346.db2.gz FOKPROCBHAQVDH-INIZCTEOSA-N 1 1 261.409 3.267 20 30 CGEDMO C=CCCC(=O)NCCC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001159544552 806120124 /nfs/dbraw/zinc/12/01/24/806120124.db2.gz SOYSRFKNVZWFKS-UHFFFAOYSA-N 1 1 298.430 3.291 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[N@@H+](C)CC1COC1 ZINC001252986363 806148750 /nfs/dbraw/zinc/14/87/50/806148750.db2.gz UYRJGGPLTOWJOF-KRWDZBQOSA-N 1 1 285.472 3.456 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+](CCC)CCC#N ZINC001253240040 806189850 /nfs/dbraw/zinc/18/98/50/806189850.db2.gz XNJHJVUBRRCJSA-MRXNPFEDSA-N 1 1 266.429 3.500 20 30 CGEDMO C=CCCCCCC[C@H](O)C[NH2+]C1CCN(CCC)CC1 ZINC001253248643 806195480 /nfs/dbraw/zinc/19/54/80/806195480.db2.gz YYNXPXGHVLIMIX-SFHVURJKSA-N 1 1 296.499 3.338 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CCCC[C@@H]1COC ZINC001253233856 806188901 /nfs/dbraw/zinc/18/89/01/806188901.db2.gz PELOUDMGBVWHEN-SJORKVTESA-N 1 1 283.456 3.375 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)/C=C(\C)CC)CC1 ZINC001160028574 806215919 /nfs/dbraw/zinc/21/59/19/806215919.db2.gz CJSIZFZHFJFBHZ-JQIJEIRASA-N 1 1 290.451 3.447 20 30 CGEDMO COc1cc(F)cc(CNc2[nH+]c(C)ccc2CC#N)c1 ZINC001160217654 806236750 /nfs/dbraw/zinc/23/67/50/806236750.db2.gz FBUBFDXBPFPMQN-UHFFFAOYSA-N 1 1 285.322 3.216 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)C[C@@H]2CCC[C@H]2C)CC1 ZINC001160221642 806237387 /nfs/dbraw/zinc/23/73/87/806237387.db2.gz ICZZQSFRXHZOIW-WBVHZDCISA-N 1 1 290.451 3.137 20 30 CGEDMO CCCCC[C@@H](O)C[N@@H+](CCC#N)C1CCCC1 ZINC001253533741 806239019 /nfs/dbraw/zinc/23/90/19/806239019.db2.gz UKNUOLGONNFCET-OAHLLOKOSA-N 1 1 252.402 3.086 20 30 CGEDMO C=C[C@H](O)C[N@@H+]1CCC[C@H](Oc2cc(C)ccc2Cl)C1 ZINC001253582315 806263886 /nfs/dbraw/zinc/26/38/86/806263886.db2.gz NPEWSEXISIEFSN-KBPBESRZSA-N 1 1 295.810 3.039 20 30 CGEDMO C=C[C@H](O)C[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC001253586442 806265222 /nfs/dbraw/zinc/26/52/22/806265222.db2.gz MGCAJNAHGKDNSN-UONOGXRCSA-N 1 1 251.757 3.024 20 30 CGEDMO N#Cc1c[nH]c2cc[nH+]c(NC3CC4(C3)CC(F)(F)C4)c12 ZINC001160591308 806287550 /nfs/dbraw/zinc/28/75/50/806287550.db2.gz RCCUZCBSUBOPJN-UHFFFAOYSA-N 1 1 288.301 3.424 20 30 CGEDMO COCC#CC[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC001253793822 806311219 /nfs/dbraw/zinc/31/12/19/806311219.db2.gz BQCUVQDXPFBOKW-OAHLLOKOSA-N 1 1 263.768 3.127 20 30 CGEDMO COCC#CC[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC001253793822 806311229 /nfs/dbraw/zinc/31/12/29/806311229.db2.gz BQCUVQDXPFBOKW-OAHLLOKOSA-N 1 1 263.768 3.127 20 30 CGEDMO C=CCCCC[N@H+](C)C[C@@H](O)COc1ccc(C)cc1 ZINC001253827908 806314394 /nfs/dbraw/zinc/31/43/94/806314394.db2.gz MYWMRCJJRHSNFA-MRXNPFEDSA-N 1 1 277.408 3.023 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1ncnc2ccc(C)cc21 ZINC001160953067 806327073 /nfs/dbraw/zinc/32/70/73/806327073.db2.gz PGPBVIKMDDYDCX-AWEZNQCLSA-N 1 1 282.391 3.001 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1ccc(Cl)c(C)n1 ZINC001160952902 806327184 /nfs/dbraw/zinc/32/71/84/806327184.db2.gz HSVWQSRCROANQH-LBPRGKRZSA-N 1 1 265.788 3.106 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1ncc(F)c2ccccc21 ZINC001160954284 806329253 /nfs/dbraw/zinc/32/92/53/806329253.db2.gz UKMZVVLXUQBIKR-ZDUSSCGKSA-N 1 1 285.366 3.436 20 30 CGEDMO Cc1[nH+]c(NCCCc2cccc(N)c2)ccc1CC#N ZINC001161012532 806336175 /nfs/dbraw/zinc/33/61/75/806336175.db2.gz ONBSARJMMUHKEU-UHFFFAOYSA-N 1 1 280.375 3.083 20 30 CGEDMO Cc1cc(Cl)nc(NCc2[nH+]cn3ccccc23)c1C#N ZINC001161680535 806414922 /nfs/dbraw/zinc/41/49/22/806414922.db2.gz FTAYJDLIQKGFNS-UHFFFAOYSA-N 1 1 297.749 3.175 20 30 CGEDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1CC[C@@H](C#N)C1 ZINC001254669340 806479521 /nfs/dbraw/zinc/47/95/21/806479521.db2.gz REQYMSHMZRBJRA-SJLPKXTDSA-N 1 1 283.419 3.411 20 30 CGEDMO C[N@@H+](Cc1ccccc1)C1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC001254668800 806479864 /nfs/dbraw/zinc/47/98/64/806479864.db2.gz LFNKVWYLIJXAML-HKUYNNGSSA-N 1 1 297.446 3.275 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)C1 ZINC001254665913 806479961 /nfs/dbraw/zinc/47/99/61/806479961.db2.gz RKQZZLQOHCZYMP-HSFUPAIVSA-N 1 1 288.435 3.206 20 30 CGEDMO CC(C)[N@H+](CC(=O)c1ccccc1)[C@H]1CC[C@H](C#N)C1 ZINC001254667606 806480243 /nfs/dbraw/zinc/48/02/43/806480243.db2.gz BNEUTUCHPKWWKL-HOCLYGCPSA-N 1 1 270.376 3.272 20 30 CGEDMO CC(C)[N@@H+](CC(=O)c1ccccc1)[C@H]1CC[C@H](C#N)C1 ZINC001254667606 806480245 /nfs/dbraw/zinc/48/02/45/806480245.db2.gz BNEUTUCHPKWWKL-HOCLYGCPSA-N 1 1 270.376 3.272 20 30 CGEDMO Cc1ccccc1O[C@H]1CC[N@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC001254670659 806480908 /nfs/dbraw/zinc/48/09/08/806480908.db2.gz KNKFPCJDPISLAY-XHSDSOJGSA-N 1 1 270.376 3.140 20 30 CGEDMO C[N@@H+]([C@@H]1CC[C@@H](C#N)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001254674604 806482906 /nfs/dbraw/zinc/48/29/06/806482906.db2.gz AMRCQDMTVAXAHM-QRVBRYPASA-N 1 1 297.446 3.275 20 30 CGEDMO CN([C@@H]1CC[C@@H](C#N)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001254674604 806482911 /nfs/dbraw/zinc/48/29/11/806482911.db2.gz AMRCQDMTVAXAHM-QRVBRYPASA-N 1 1 297.446 3.275 20 30 CGEDMO CN([C@@H]1CC[C@@H](C#N)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001254674604 806482915 /nfs/dbraw/zinc/48/29/15/806482915.db2.gz AMRCQDMTVAXAHM-QRVBRYPASA-N 1 1 297.446 3.275 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCSc3ccccc3C2)C1 ZINC001254674413 806483659 /nfs/dbraw/zinc/48/36/59/806483659.db2.gz YTOURUFFIYHUAV-OCCSQVGLSA-N 1 1 258.390 3.287 20 30 CGEDMO C[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C#N)C2)[C@H](C)CN1Cc1ccccc1 ZINC001254679325 806484615 /nfs/dbraw/zinc/48/46/15/806484615.db2.gz LHOJKZMQEVSADS-RWQQGDIJSA-N 1 1 297.446 3.273 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1[C@H]1CC[C@@H](C#N)C1 ZINC001254679325 806484620 /nfs/dbraw/zinc/48/46/20/806484620.db2.gz LHOJKZMQEVSADS-RWQQGDIJSA-N 1 1 297.446 3.273 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1[C@H]1CC[C@@H](C#N)C1 ZINC001254679325 806484629 /nfs/dbraw/zinc/48/46/29/806484629.db2.gz LHOJKZMQEVSADS-RWQQGDIJSA-N 1 1 297.446 3.273 20 30 CGEDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CC[C@@H](C#N)C1 ZINC001254676670 806485094 /nfs/dbraw/zinc/48/50/94/806485094.db2.gz MZMFEUOFJIZZMU-NVXWUHKLSA-N 1 1 271.408 3.267 20 30 CGEDMO CC[C@@H](CC#N)[NH2+][C@@H](C)c1cc(OC)cc(OC)c1 ZINC001255156301 806556580 /nfs/dbraw/zinc/55/65/80/806556580.db2.gz HRFFJGMGPLINSO-AAEUAGOBSA-N 1 1 262.353 3.047 20 30 CGEDMO CC[C@H](CC#N)[NH2+]C(C)(C)c1cc(F)cc(F)c1 ZINC001255157422 806558072 /nfs/dbraw/zinc/55/80/72/806558072.db2.gz QPPSMTJYRLBUJM-CYBMUJFWSA-N 1 1 252.308 3.482 20 30 CGEDMO CC[C@H](CC#N)[NH2+]C[C@H](O)c1c(Cl)cccc1Cl ZINC001255157464 806558421 /nfs/dbraw/zinc/55/84/21/806558421.db2.gz QWJISYMNYCQDNG-SKDRFNHKSA-N 1 1 287.190 3.309 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]C1(c2ccccc2OC)CCC1 ZINC001255161133 806560072 /nfs/dbraw/zinc/56/00/72/806560072.db2.gz UZLVWCGAHLMKCK-ZDUSSCGKSA-N 1 1 258.365 3.356 20 30 CGEDMO C#CCCC[NH2+][C@@H]1CCCN(Cc2ccccc2)CC1 ZINC001255381519 806629799 /nfs/dbraw/zinc/62/97/99/806629799.db2.gz PBXBIMYBJGJNKW-GOSISDBHSA-N 1 1 270.420 3.044 20 30 CGEDMO C=C1CC(c2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)C1 ZINC001255413994 806634506 /nfs/dbraw/zinc/63/45/06/806634506.db2.gz IXQJKXZWLJGGSM-HNNXBMFYSA-N 1 1 295.386 3.493 20 30 CGEDMO C[C@H](CC(F)(F)F)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC001255657523 806695995 /nfs/dbraw/zinc/69/59/95/806695995.db2.gz IIIUINTVHKJHCJ-GFCCVEGCSA-N 1 1 297.324 3.021 20 30 CGEDMO Cc1[nH+]c(N[C@@H]2CCCc3ccncc32)ccc1CC#N ZINC001163172375 806712763 /nfs/dbraw/zinc/71/27/63/806712763.db2.gz LGMZUJIPDBKMTJ-MRXNPFEDSA-N 1 1 278.359 3.341 20 30 CGEDMO C=C(Br)C[NH2+]Cc1cccc(OC(F)F)c1 ZINC000309615579 799218770 /nfs/dbraw/zinc/21/87/70/799218770.db2.gz DYACPSWXBUUYSS-UHFFFAOYSA-N 1 1 292.123 3.286 20 30 CGEDMO N#CCC[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000353701806 799330967 /nfs/dbraw/zinc/33/09/67/799330967.db2.gz HEUQULWCJBNPKF-UHFFFAOYSA-N 1 1 284.334 3.408 20 30 CGEDMO Cc1cc(C#N)c(N[C@@H]2CC[N@H+](C(C)C)C[C@@H]2C)nc1C ZINC001163361623 806746418 /nfs/dbraw/zinc/74/64/18/806746418.db2.gz JRXVXUJHDCRNGT-XJKSGUPXSA-N 1 1 286.423 3.101 20 30 CGEDMO CCCCCCCCCN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000386566537 799437707 /nfs/dbraw/zinc/43/77/07/799437707.db2.gz WNINDIIZGPTNIV-CVEARBPZSA-N 1 1 252.446 3.421 20 30 CGEDMO C#CC[N@H+](CCCCCC(=O)OCC)C1CCCCC1 ZINC000688875063 799756796 /nfs/dbraw/zinc/75/67/96/799756796.db2.gz NTILYQYFYCSRQS-UHFFFAOYSA-N 1 1 279.424 3.378 20 30 CGEDMO CCc1nc(C[NH2+][C@@H](C)CC(C)(C)C#N)cs1 ZINC000695860115 799835927 /nfs/dbraw/zinc/83/59/27/799835927.db2.gz SKPYHXIMVKLRHC-JTQLQIEISA-N 1 1 251.399 3.123 20 30 CGEDMO CCCCCCCCC[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000704411193 799937785 /nfs/dbraw/zinc/93/77/85/799937785.db2.gz IFPDNTVNOYJEQP-CALCHBBNSA-N 1 1 285.472 3.050 20 30 CGEDMO C#CC1(N[C@H](C)CC[NH+](CC)CC)CCCCC1 ZINC001255951103 806795461 /nfs/dbraw/zinc/79/54/61/806795461.db2.gz FYFZQFTWQUORFY-OAHLLOKOSA-N 1 1 250.430 3.033 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@H](c3nccs3)C2)c1 ZINC000710358425 800033694 /nfs/dbraw/zinc/03/36/94/800033694.db2.gz FCEKTBXNILUJEI-AWEZNQCLSA-N 1 1 269.373 3.004 20 30 CGEDMO Nc1ccc(F)c(NC(=[NH2+])c2ccc(C(F)(F)F)cc2)c1 ZINC001163683367 806799617 /nfs/dbraw/zinc/79/96/17/806799617.db2.gz BKSMNXIARTVRQJ-UHFFFAOYSA-N 1 1 297.255 3.464 20 30 CGEDMO C[C@H]1[C@@H](Nc2ccc(C(F)(F)F)cc2C#N)CC[N@H+]1C ZINC000719605542 800245830 /nfs/dbraw/zinc/24/58/30/800245830.db2.gz ZAPQHANMGCCZNK-CABZTGNLSA-N 1 1 283.297 3.082 20 30 CGEDMO C[C@H]1Cc2cc(C[N@H+]3CCC[C@@H](CC#N)C3)ccc2O1 ZINC000720829709 800268297 /nfs/dbraw/zinc/26/82/97/800268297.db2.gz QXUUXHFVKRJOAK-KBPBESRZSA-N 1 1 270.376 3.136 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCC[C@@H]2C2CCCC2)c1 ZINC000721556409 800293710 /nfs/dbraw/zinc/29/37/10/800293710.db2.gz ADTHUUGUFRQTQR-MRXNPFEDSA-N 1 1 255.365 3.108 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000809543606 800443422 /nfs/dbraw/zinc/44/34/22/800443422.db2.gz SDDZTZSJFGTHHJ-IBGZPJMESA-N 1 1 277.367 3.241 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000809543606 800443425 /nfs/dbraw/zinc/44/34/25/800443425.db2.gz SDDZTZSJFGTHHJ-IBGZPJMESA-N 1 1 277.367 3.241 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)Cc2ccc(Cl)nc2)cc1 ZINC000809543470 800443432 /nfs/dbraw/zinc/44/34/32/800443432.db2.gz QIVAHYWXVQGPBH-UHFFFAOYSA-N 1 1 270.763 3.348 20 30 CGEDMO C#Cc1ccc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000809544752 800443613 /nfs/dbraw/zinc/44/36/13/800443613.db2.gz AJEBTOADXLQROG-UHFFFAOYSA-N 1 1 280.327 3.208 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000809544752 800443617 /nfs/dbraw/zinc/44/36/17/800443617.db2.gz AJEBTOADXLQROG-UHFFFAOYSA-N 1 1 280.327 3.208 20 30 CGEDMO C#CC1CC[NH+](Cc2nnc(-c3ccccc3)s2)CC1 ZINC000830345626 800486203 /nfs/dbraw/zinc/48/62/03/800486203.db2.gz KUVIHKGTSYFDFA-UHFFFAOYSA-N 1 1 283.400 3.050 20 30 CGEDMO C=CCCC1(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)CCCC1 ZINC000898585531 800592202 /nfs/dbraw/zinc/59/22/02/800592202.db2.gz BDAQATFCCWHKKO-SFHVURJKSA-N 1 1 290.451 3.115 20 30 CGEDMO C#CCC[N@H+]1CCC[C@@H]1c1cncc(Br)c1 ZINC000932248927 800654876 /nfs/dbraw/zinc/65/48/76/800654876.db2.gz LSRKJAPMVZHZMU-CYBMUJFWSA-N 1 1 279.181 3.004 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H]1c1cncc(Br)c1 ZINC000932248927 800654879 /nfs/dbraw/zinc/65/48/79/800654879.db2.gz LSRKJAPMVZHZMU-CYBMUJFWSA-N 1 1 279.181 3.004 20 30 CGEDMO C#CC[N@@H+](Cc1coc(-c2cccc(OC)c2)n1)C(C)C ZINC000932383645 800661503 /nfs/dbraw/zinc/66/15/03/800661503.db2.gz JVFBZBJIGFBAHI-UHFFFAOYSA-N 1 1 284.359 3.194 20 30 CGEDMO C#CC[N@H+](Cc1coc(-c2cccc(OC)c2)n1)C(C)C ZINC000932383645 800661505 /nfs/dbraw/zinc/66/15/05/800661505.db2.gz JVFBZBJIGFBAHI-UHFFFAOYSA-N 1 1 284.359 3.194 20 30 CGEDMO CN(CC[N@@H+](C)Cc1ccccc1)Cc1cc(C#N)cs1 ZINC000933770910 800675851 /nfs/dbraw/zinc/67/58/51/800675851.db2.gz ANRAKOCVDFYLNF-UHFFFAOYSA-N 1 1 299.443 3.184 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)cc(C)c2)[C@@H]1C ZINC000994298177 800696052 /nfs/dbraw/zinc/69/60/52/800696052.db2.gz QNQMDYJILRPPDK-DOTOQJQBSA-N 1 1 286.419 3.072 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)c2csc(C)c2)CC1 ZINC001003796703 800697300 /nfs/dbraw/zinc/69/73/00/800697300.db2.gz CICPIQWNGPMLEY-UHFFFAOYSA-N 1 1 298.839 3.003 20 30 CGEDMO C=CC[N@@H+](C1CCCCC1)C1CCN(C(=O)OCC)CC1 ZINC001256247195 806854688 /nfs/dbraw/zinc/85/46/88/806854688.db2.gz HBKHXVQVSNZXLG-UHFFFAOYSA-N 1 1 294.439 3.428 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)c(C)o1 ZINC001024388825 800726062 /nfs/dbraw/zinc/72/60/62/800726062.db2.gz QCCVRGOMNVPOTN-OAHLLOKOSA-N 1 1 290.407 3.057 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)C1=CCCC1 ZINC001024392773 800726851 /nfs/dbraw/zinc/72/68/51/800726851.db2.gz VVTKZIWFPRPQSK-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)cs1 ZINC001024429413 800728342 /nfs/dbraw/zinc/72/83/42/800728342.db2.gz GWCREJNEEHCHNA-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@H]1CNC(=O)C1CC2(CCC2)C1 ZINC001024596976 800731024 /nfs/dbraw/zinc/73/10/24/800731024.db2.gz LWHAIOOZRQGRLZ-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001024641240 800733126 /nfs/dbraw/zinc/73/31/26/800733126.db2.gz IBHIZGPNZLEGPM-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@]12C[C@H]1CCCC2 ZINC001024635972 800733283 /nfs/dbraw/zinc/73/32/83/800733283.db2.gz MEYCOZMOCBDDGK-JFIYKMOQSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC001024789633 800737392 /nfs/dbraw/zinc/73/73/92/800737392.db2.gz XGWBOLOKRZWTGH-KRWDZBQOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCC ZINC001025191255 800747403 /nfs/dbraw/zinc/74/74/03/800747403.db2.gz HBUASAPHKPGOFN-HZPDHXFCSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C=C(C)C ZINC001025196434 800748889 /nfs/dbraw/zinc/74/88/89/800748889.db2.gz VEOFFUCOAKNFKA-DLBZAZTESA-N 1 1 290.451 3.374 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC1(C)CC1 ZINC001025250750 800752268 /nfs/dbraw/zinc/75/22/68/800752268.db2.gz DWTRWDPJXUFUSK-CVEARBPZSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1(CC)CC1 ZINC001025266032 800752370 /nfs/dbraw/zinc/75/23/70/800752370.db2.gz ILWMIBMIEZSEAX-HOTGVXAUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccccc2)C1 ZINC001025315146 800755132 /nfs/dbraw/zinc/75/51/32/800755132.db2.gz ZEIIALDGOCCGAP-NVXWUHKLSA-N 1 1 286.419 3.093 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001025379776 800759561 /nfs/dbraw/zinc/75/95/61/800759561.db2.gz UYXXPOHRCNXADB-ZIAGYGMSSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccsc2)C1 ZINC001027288422 800790401 /nfs/dbraw/zinc/79/04/01/800790401.db2.gz DIGBROBQYQFDOP-CYBMUJFWSA-N 1 1 298.839 3.037 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)c2ccsc2)C1 ZINC001027288422 800790404 /nfs/dbraw/zinc/79/04/04/800790404.db2.gz DIGBROBQYQFDOP-CYBMUJFWSA-N 1 1 298.839 3.037 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C2(C)CCCCC2)C1 ZINC001027556170 800803104 /nfs/dbraw/zinc/80/31/04/800803104.db2.gz YPHJSOKZKPLESU-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCC2)C1 ZINC001027560286 800803368 /nfs/dbraw/zinc/80/33/68/800803368.db2.gz VASHGFFPOOFBFQ-SJLPKXTDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C2CCC(=C)CC2)C1 ZINC001027557577 800804462 /nfs/dbraw/zinc/80/44/62/800804462.db2.gz AGNFCBUDMQOGLZ-KRWDZBQOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)C2CCC(C)(C)CC2)C1 ZINC001027696563 800813305 /nfs/dbraw/zinc/81/33/05/800813305.db2.gz LGWKLPSFDSVZIC-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(CCC)s1 ZINC001027909001 800826094 /nfs/dbraw/zinc/82/60/94/800826094.db2.gz HAJZIGUBHITZRP-ZDUSSCGKSA-N 1 1 292.448 3.081 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Cl)c(C)c1 ZINC001028112793 800831139 /nfs/dbraw/zinc/83/11/39/800831139.db2.gz FEFIFTAFCBZPIA-AWEZNQCLSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1ccsc1Cl ZINC001028180568 800834963 /nfs/dbraw/zinc/83/49/63/800834963.db2.gz CASLMQAFYIVVJH-NSHDSACASA-N 1 1 298.839 3.172 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C2CC2)s1 ZINC001028262400 800838050 /nfs/dbraw/zinc/83/80/50/800838050.db2.gz SVLSCBBMFKTMHB-ZDUSSCGKSA-N 1 1 290.432 3.006 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)C2=CCCCCC2)C1 ZINC001028499707 800848762 /nfs/dbraw/zinc/84/87/62/800848762.db2.gz KFWACIDWGNEVQF-INIZCTEOSA-N 1 1 290.451 3.281 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)C2=CCCCCC2)C1 ZINC001028502460 800848833 /nfs/dbraw/zinc/84/88/33/800848833.db2.gz XWHZKORABWZQRA-CQSZACIVSA-N 1 1 296.842 3.068 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](CNC(=O)c2cc(Cl)cs2)C1 ZINC001028848183 800853788 /nfs/dbraw/zinc/85/37/88/800853788.db2.gz RYALSAJISBYRJS-NSHDSACASA-N 1 1 298.839 3.029 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001028938411 800856974 /nfs/dbraw/zinc/85/69/74/800856974.db2.gz OHQYTOPABFQDMD-BPLDGKMQSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001028938411 800856979 /nfs/dbraw/zinc/85/69/79/800856979.db2.gz OHQYTOPABFQDMD-BPLDGKMQSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCC2)C1 ZINC001029800105 800876886 /nfs/dbraw/zinc/87/68/86/800876886.db2.gz KIXVJKDWPXJTER-INIZCTEOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001030027531 800884829 /nfs/dbraw/zinc/88/48/29/800884829.db2.gz ONEPQRCLMSPHKM-JFIYKMOQSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)c2c(C)oc3ccccc32)C1 ZINC001030364681 800893008 /nfs/dbraw/zinc/89/30/08/800893008.db2.gz FUEOIHBHOGLXKY-UHFFFAOYSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C1CCC(C(=O)NC2C[NH+]([C@@H](C)c3ccccc3)C2)CC1 ZINC001030903431 800900612 /nfs/dbraw/zinc/90/06/12/800900612.db2.gz GLNCIVZIAAPLHG-HNNXBMFYSA-N 1 1 298.430 3.294 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC(C)(C)C ZINC001032557378 800928863 /nfs/dbraw/zinc/92/88/63/800928863.db2.gz HWXFPNJIVCQNHP-GJZGRUSLSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1CC ZINC001032591698 800932273 /nfs/dbraw/zinc/93/22/73/800932273.db2.gz MVJPPLZXCYMMHG-IRXDYDNUSA-N 1 1 298.430 3.114 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[C@H](CC)CC1 ZINC001032742324 800934772 /nfs/dbraw/zinc/93/47/72/800934772.db2.gz KPZFKEKWPKJWTI-QAETUUGQSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C(C)(C)C)c1 ZINC001032692656 800934790 /nfs/dbraw/zinc/93/47/90/800934790.db2.gz PBVLQWBWNBCERX-IRXDYDNUSA-N 1 1 298.430 3.069 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C(C)(C)C)c1 ZINC001032692656 800934792 /nfs/dbraw/zinc/93/47/92/800934792.db2.gz PBVLQWBWNBCERX-IRXDYDNUSA-N 1 1 298.430 3.069 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C)ccc1C ZINC001032753301 800935322 /nfs/dbraw/zinc/93/53/22/800935322.db2.gz NPQHPBIIHYIOQS-IRXDYDNUSA-N 1 1 298.430 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C3CCC3)cc2)C1 ZINC001033132121 800953993 /nfs/dbraw/zinc/95/39/93/800953993.db2.gz QCCZRQBGFDYCIX-GOSISDBHSA-N 1 1 298.430 3.286 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)C2(C)CCCCC2)C1 ZINC001033383060 800963282 /nfs/dbraw/zinc/96/32/82/800963282.db2.gz GHWOIWSKSKGNHS-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)C2CC(C(C)(C)C)C2)C1 ZINC001033703648 800976651 /nfs/dbraw/zinc/97/66/51/800976651.db2.gz CZXJTESVFSBBPT-GPANFISMSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cccs2)C1 ZINC001033739995 800979790 /nfs/dbraw/zinc/97/97/90/800979790.db2.gz KOYRFPAGQRCCNK-AWEZNQCLSA-N 1 1 292.448 3.251 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCC23CC3)C1 ZINC001033873505 800987574 /nfs/dbraw/zinc/98/75/74/800987574.db2.gz PKZXWAGGJKKYOA-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2sccc2C)C1 ZINC001034082145 801003224 /nfs/dbraw/zinc/00/32/24/801003224.db2.gz CNOYAFVDTCAJQV-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2cc(C)cs2)C1 ZINC001034198812 801010392 /nfs/dbraw/zinc/01/03/92/801010392.db2.gz OGLHEIXXALSCEG-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2sccc2Cl)C1 ZINC001034227223 801012480 /nfs/dbraw/zinc/01/24/80/801012480.db2.gz XZLOUADJLCJVTR-LLVKDONJSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001034300987 801016406 /nfs/dbraw/zinc/01/64/06/801016406.db2.gz DNUSYYLBLSOFCS-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001034351544 801020317 /nfs/dbraw/zinc/02/03/17/801020317.db2.gz JWXUSRCMAGZDKY-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@H+](C[C@H](C)CC)C2)C1 ZINC001034388691 801022574 /nfs/dbraw/zinc/02/25/74/801022574.db2.gz IVMYONGTFNPINT-ZBFHGGJFSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC001034518018 801029488 /nfs/dbraw/zinc/02/94/88/801029488.db2.gz FUEZMGUGUCXDCO-QGZVFWFLSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@@H+]1CCC2(C1)CCN(C(=O)c1ccccc1C)CC2 ZINC001035157153 801052074 /nfs/dbraw/zinc/05/20/74/801052074.db2.gz QPZDKWSJRAYENC-UHFFFAOYSA-N 1 1 298.430 3.109 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CN(C(=O)CCC3CCCC3)CC[C@H]21 ZINC001036634863 801085043 /nfs/dbraw/zinc/08/50/43/801085043.db2.gz ZWNMOPMYNGNWRU-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2CN(C(=O)C3(CC)CCC3)CC[C@@H]21 ZINC001036794964 801091738 /nfs/dbraw/zinc/09/17/38/801091738.db2.gz FMXOTWAFSKNRLK-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2CN(C(=O)c3cc(C)ccc3C)CC[C@@H]21 ZINC001036878906 801093101 /nfs/dbraw/zinc/09/31/01/801093101.db2.gz DFJDZYYFWSIOND-WMZOPIPTSA-N 1 1 298.430 3.026 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2CN(C(=O)c3cc(C)cc(C)c3)CC[C@@H]21 ZINC001036878730 801093663 /nfs/dbraw/zinc/09/36/63/801093663.db2.gz AZSLKQOUHSYTSR-WMZOPIPTSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3CCCC)C2)C1 ZINC001036816303 801093713 /nfs/dbraw/zinc/09/37/13/801093713.db2.gz SLEZIMMBBAANSU-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)C1CCC2(CC2)CC1 ZINC001038525135 801126245 /nfs/dbraw/zinc/12/62/45/801126245.db2.gz BZULOYUMYLQOBZ-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001038852049 801133670 /nfs/dbraw/zinc/13/36/70/801133670.db2.gz WUNDYWROCGCOCX-ULQDDVLXSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)c1sccc1CC ZINC001039049724 801142383 /nfs/dbraw/zinc/14/23/83/801142383.db2.gz YLKYIAUVUUNBMU-CQSZACIVSA-N 1 1 292.448 3.081 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c(cccc2C)o1 ZINC001039063084 801145451 /nfs/dbraw/zinc/14/54/51/801145451.db2.gz HMUTWMFTQRJOBG-CQSZACIVSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1cc2c(cccc2C)o1 ZINC001039063084 801145456 /nfs/dbraw/zinc/14/54/56/801145456.db2.gz HMUTWMFTQRJOBG-CQSZACIVSA-N 1 1 298.386 3.121 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)C(C)(C)CC)CC2)C1 ZINC001039156233 801150919 /nfs/dbraw/zinc/15/09/19/801150919.db2.gz ZQUVGTBRELFRNE-INIZCTEOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C(CC)CC)C1 ZINC001039193759 801153387 /nfs/dbraw/zinc/15/33/87/801153387.db2.gz QDHILGQBECJVJV-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1=CCCC1 ZINC001039356582 801160645 /nfs/dbraw/zinc/16/06/45/801160645.db2.gz BZHNJSYVDFCTND-SJORKVTESA-N 1 1 288.435 3.128 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(CC)CC ZINC001039471990 801163902 /nfs/dbraw/zinc/16/39/02/801163902.db2.gz XIYVZFJXNSFXPK-CVEARBPZSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC(=C)C ZINC001039821284 801167184 /nfs/dbraw/zinc/16/71/84/801167184.db2.gz PYGXDMRGISRMDR-IYBDPMFKSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCC ZINC001039896645 801168535 /nfs/dbraw/zinc/16/85/35/801168535.db2.gz NZBDBBSUJVOPIV-JZXOWHBKSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)CC3CC3)C2)C1 ZINC001040037778 801170916 /nfs/dbraw/zinc/17/09/16/801170916.db2.gz GHGWRNUMNWTBCF-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@]2(C1)CCC[N@H+](C(C)C)C2 ZINC001040368577 801176459 /nfs/dbraw/zinc/17/64/59/801176459.db2.gz IXSRQINYLNHUOV-ZWKOTPCHSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[C@]2(C1)CCC[N@H+](CCC)C2 ZINC001040370217 801177166 /nfs/dbraw/zinc/17/71/66/801177166.db2.gz ZFDVYITXJQSXGY-QZTJIDSGSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc(C)cc3)C2)C1 ZINC001040505445 801178160 /nfs/dbraw/zinc/17/81/60/801178160.db2.gz HJHGZXXAMWMPQP-LJQANCHMSA-N 1 1 298.430 3.109 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)C(CC)(CC)CC)C2)C1 ZINC001041761899 801192869 /nfs/dbraw/zinc/19/28/69/801192869.db2.gz UEDPZSUFYGPXOW-QGZVFWFLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[C@]2(CC[N@H+](CCCC)C2)C1 ZINC001041638069 801192910 /nfs/dbraw/zinc/19/29/10/801192910.db2.gz HONJGZWMBQFMQU-MSOLQXFVSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C3CCCC3)C[C@H]21 ZINC001041891979 801196129 /nfs/dbraw/zinc/19/61/29/801196129.db2.gz VLJNRYXMAAUMRJ-NVXWUHKLSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)C(C)C)C[C@@H]21 ZINC001042077493 801200261 /nfs/dbraw/zinc/20/02/61/801200261.db2.gz LMCZYJJKMCCEFN-HOTGVXAUSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)C3(CC)CCC3)C[C@H]21 ZINC001042192075 801201416 /nfs/dbraw/zinc/20/14/16/801201416.db2.gz WSCJLFJPGIRXJP-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](CCCC)[C@H]2C1 ZINC001042183812 801201426 /nfs/dbraw/zinc/20/14/26/801201426.db2.gz MYLDUATUTOONEH-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)C(=C)C)C[C@H]21 ZINC001042182718 801202459 /nfs/dbraw/zinc/20/24/59/801202459.db2.gz GQXWLMHBABIRLH-HZPDHXFCSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(CC)CC)C[C@@H]21 ZINC001042364900 801205240 /nfs/dbraw/zinc/20/52/40/801205240.db2.gz GNMYQKXLXBFLIP-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C=C(C)C)C2 ZINC001045909484 801292330 /nfs/dbraw/zinc/29/23/30/801292330.db2.gz PWSRYLPIWWCHKD-GOSISDBHSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)C)C2 ZINC001045918966 801293673 /nfs/dbraw/zinc/29/36/73/801293673.db2.gz OSJUYNISQMZWHQ-INIZCTEOSA-N 1 1 298.858 3.100 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1(C)CCC1)C2 ZINC001045956549 801296002 /nfs/dbraw/zinc/29/60/02/801296002.db2.gz KXOBKUDRMNRXQK-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)c2ccc(C)s2)C1 ZINC001046107246 801299164 /nfs/dbraw/zinc/29/91/64/801299164.db2.gz BBECPYMUUNZRHQ-MRXNPFEDSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(Cl)c2C)C1 ZINC001046334765 801307876 /nfs/dbraw/zinc/30/78/76/801307876.db2.gz VJNISMZQHBXBFY-MRXNPFEDSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)c2scc(C)c2Cl)C1 ZINC001046341140 801309470 /nfs/dbraw/zinc/30/94/70/801309470.db2.gz DOWIVUBLUNUUKZ-AWEZNQCLSA-N 1 1 298.839 3.090 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2cscc2Cl)C1 ZINC001046404125 801310207 /nfs/dbraw/zinc/31/02/07/801310207.db2.gz WKHSRZQVWRYMPM-CQSZACIVSA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001046337675 801310343 /nfs/dbraw/zinc/31/03/43/801310343.db2.gz ATORBNSXZKSYAH-SJLPKXTDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(C)c(Cl)c2)C1 ZINC001046599313 801317409 /nfs/dbraw/zinc/31/74/09/801317409.db2.gz VCOWSKDBFJJBGD-MRXNPFEDSA-N 1 1 292.810 3.029 20 30 CGEDMO CC#CC[N@H+]1CC[C@@](C)(NC(=O)c2cccc(C(C)C)c2)C1 ZINC001046750402 801324109 /nfs/dbraw/zinc/32/41/09/801324109.db2.gz VYLVXTKOYIFWFG-LJQANCHMSA-N 1 1 298.430 3.028 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+](C[C@@H](C)CC)C[C@@H]2C1 ZINC001049036608 801355424 /nfs/dbraw/zinc/35/54/24/801355424.db2.gz YHZTZIRVFWECBC-CUSZFKRNSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)C(C)(CC)CC)C[C@H]2C1 ZINC001049222657 801357335 /nfs/dbraw/zinc/35/73/35/801357335.db2.gz POMIVXGMOAFUEH-IYBDPMFKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(CC)CC ZINC001049342745 801367303 /nfs/dbraw/zinc/36/73/03/801367303.db2.gz GGGBFEUEQZILTJ-HOTGVXAUSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)C(C)(C)C ZINC001049637516 801380992 /nfs/dbraw/zinc/38/09/92/801380992.db2.gz HIGOTKIDWMSHLP-HUUCEWRRSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC1(C)C ZINC001049664309 801382860 /nfs/dbraw/zinc/38/28/60/801382860.db2.gz RBLVVUDZQLVBRD-HRCADAONSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)C1CC1 ZINC001049660171 801383102 /nfs/dbraw/zinc/38/31/02/801383102.db2.gz MFTBICQXJAXNPY-HZPDHXFCSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CCCC)C1 ZINC001049702285 801387062 /nfs/dbraw/zinc/38/70/62/801387062.db2.gz JSYNUADTTZXODH-JKSUJKDBSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(C)cc1C ZINC001049878636 801390193 /nfs/dbraw/zinc/39/01/93/801390193.db2.gz YZQDRXAUINQHND-QZTJIDSGSA-N 1 1 298.430 3.168 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)CCC3CCC3)[C@@H]2C1 ZINC001050011770 801398258 /nfs/dbraw/zinc/39/82/58/801398258.db2.gz RITJLIGEPYKGNY-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CC2CCCC2)CC1 ZINC001052169298 801422959 /nfs/dbraw/zinc/42/29/59/801422959.db2.gz KPMNFNSWDVQIKL-OAHLLOKOSA-N 1 1 298.858 3.290 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C)c2)CC1 ZINC001052177302 801425066 /nfs/dbraw/zinc/42/50/66/801425066.db2.gz TVJAYRBVEXMFFY-KRWDZBQOSA-N 1 1 286.419 3.155 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)c(C)o2)CC1 ZINC001052313910 801431312 /nfs/dbraw/zinc/43/13/12/801431312.db2.gz IXOQXFRXTNQACV-OAHLLOKOSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2C=CCCC2)CC1 ZINC001052485870 801436892 /nfs/dbraw/zinc/43/68/92/801436892.db2.gz FILPKPWCIQGPDL-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC)o2)CC1 ZINC001052500486 801437093 /nfs/dbraw/zinc/43/70/93/801437093.db2.gz HHSYKPXSTTUISH-CQSZACIVSA-N 1 1 290.407 3.002 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2(C)CCCC2)CC1 ZINC001052603333 801440403 /nfs/dbraw/zinc/44/04/03/801440403.db2.gz VJLVUAKYBLOOHY-CQSZACIVSA-N 1 1 298.858 3.290 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2cc(C)co2)CC1 ZINC001052643367 801445837 /nfs/dbraw/zinc/44/58/37/801445837.db2.gz ICGIJERXPWYQKJ-OAHLLOKOSA-N 1 1 290.407 3.139 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](CC3CCC3)CC2)C1 ZINC001052692351 801447191 /nfs/dbraw/zinc/44/71/91/801447191.db2.gz ALQCHZCFBOANEW-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC001052695203 801449555 /nfs/dbraw/zinc/44/95/55/801449555.db2.gz HFYBLBRFNJWAEV-BRWVUGGUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)ccc2C)CC1 ZINC001052892349 801456257 /nfs/dbraw/zinc/45/62/57/801456257.db2.gz BWOPHZPBTFEBED-INIZCTEOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C2CCC(C)(C)CC2)CC1 ZINC001052963602 801458408 /nfs/dbraw/zinc/45/84/08/801458408.db2.gz YAEXXINBOXDEKR-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C(C)C)C2)C1 ZINC001053008563 801462219 /nfs/dbraw/zinc/46/22/19/801462219.db2.gz RPSDVNXGGAAJQG-DLBZAZTESA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC)C1 ZINC001053059415 801463446 /nfs/dbraw/zinc/46/34/46/801463446.db2.gz TTZAICRLKXSSJA-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC1CCC1)C2 ZINC001054109587 801474084 /nfs/dbraw/zinc/47/40/84/801474084.db2.gz PVTSRVCZLHXZQV-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2cccc(C)c2)CC[C@@H]1C ZINC001071317239 801526127 /nfs/dbraw/zinc/52/61/27/801526127.db2.gz QCEBRVPGCXJKFK-DOTOQJQBSA-N 1 1 286.419 3.154 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CC2CCC2)CC[C@@H]1C ZINC001071398418 801535156 /nfs/dbraw/zinc/53/51/56/801535156.db2.gz DOWXCPIUOGBCMF-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)C2CCC=CCC2)CC[C@@H]1C ZINC001072079680 801562169 /nfs/dbraw/zinc/56/21/69/801562169.db2.gz QWZXORPHULDTLV-DOTOQJQBSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2ccoc2C(C)C)CC[C@H]1C ZINC001072103284 801566011 /nfs/dbraw/zinc/56/60/11/801566011.db2.gz WHHRSDFIKUBFPR-KGLIPLIRSA-N 1 1 290.407 3.172 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)CC3(C)CCCC3)[C@@H]2C1 ZINC001075758691 801611195 /nfs/dbraw/zinc/61/11/95/801611195.db2.gz JNKCMBLMJIYSDU-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO N#CCC1([NH2+]C2CCN(Cc3ccccc3)CC2)CCCC1 ZINC001256604716 806924166 /nfs/dbraw/zinc/92/41/66/806924166.db2.gz QEUKYVJDIIUNSM-UHFFFAOYSA-N 1 1 297.446 3.467 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCCC(C)(C)C2)C1 ZINC001080780885 801653730 /nfs/dbraw/zinc/65/37/30/801653730.db2.gz GGTQSINKARLIIO-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C3(C)CCCC3)[C@@H]2C1 ZINC001084555939 801667226 /nfs/dbraw/zinc/66/72/26/801667226.db2.gz XAQADHPOSFWENH-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C2CCC2)cc1 ZINC001085629130 801698304 /nfs/dbraw/zinc/69/83/04/801698304.db2.gz MDDNLBGRAOMYJC-SFHVURJKSA-N 1 1 298.430 3.286 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C2CCC2)cc1 ZINC001085629130 801698310 /nfs/dbraw/zinc/69/83/10/801698310.db2.gz MDDNLBGRAOMYJC-SFHVURJKSA-N 1 1 298.430 3.286 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1csc(C)c1C ZINC001085616296 801698348 /nfs/dbraw/zinc/69/83/48/801698348.db2.gz JLKQVEADUQRTGN-AWEZNQCLSA-N 1 1 292.448 3.087 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CC2(CCC2)C1 ZINC001085775429 801704217 /nfs/dbraw/zinc/70/42/17/801704217.db2.gz VUGIEPPATYBKGD-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CCC2CC2)CC1 ZINC001085801696 801705692 /nfs/dbraw/zinc/70/56/92/801705692.db2.gz ZYCPMTWNHZQCMH-KRWDZBQOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C=C2CCCCC2)[C@H]1CC ZINC001087514587 801755619 /nfs/dbraw/zinc/75/56/19/801755619.db2.gz DSNRKZUJTCUKEW-JKSUJKDBSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC=CCC2)[C@H]1CC ZINC001087688845 801761730 /nfs/dbraw/zinc/76/17/30/801761730.db2.gz YRRWWHQOUWPLHN-YESZJQIVSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](C[C@@H](C)CC)[C@@H]2CC)C1 ZINC001087717863 801765887 /nfs/dbraw/zinc/76/58/87/801765887.db2.gz QRBOBSDLHPBZAR-CWRNSKLLSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C3CC3)cc2)[C@H]1CC ZINC001087837579 801768296 /nfs/dbraw/zinc/76/82/96/801768296.db2.gz RLGLUWGKRCOWMP-ZWKOTPCHSA-N 1 1 298.430 3.333 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CC=C(C)CC2)[C@H]1CC ZINC001087837278 801769000 /nfs/dbraw/zinc/76/90/00/801769000.db2.gz CGXUWVQGTIKDHB-LZLYRXPVSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C3CC3)c2)[C@H]1CC ZINC001087843019 801770120 /nfs/dbraw/zinc/77/01/20/801770120.db2.gz YZTMKNWZFPUAKQ-ZWKOTPCHSA-N 1 1 298.430 3.333 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2sccc2C)[C@H]1C ZINC001088449581 801794750 /nfs/dbraw/zinc/79/47/50/801794750.db2.gz SIVKZEUSCFZKOQ-KGLIPLIRSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2CCC3(CC3)CC2)[C@H]1C ZINC001088751355 801806207 /nfs/dbraw/zinc/80/62/07/801806207.db2.gz LJJNFPZKTLEEHT-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2(C3CC3)CCC2)[C@H]1C ZINC001088775811 801806366 /nfs/dbraw/zinc/80/63/66/801806366.db2.gz PAMAXBCNVUDHSF-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2ccsc2)[C@H]1C ZINC001088851339 801812592 /nfs/dbraw/zinc/81/25/92/801812592.db2.gz CYLFXRZLALVULN-GUTXKFCHSA-N 1 1 292.448 3.007 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)C(C)(C)F)CC(C)(C)C1 ZINC001089292024 801829806 /nfs/dbraw/zinc/82/98/06/801829806.db2.gz FPBXLQJGXCNDLK-AWEZNQCLSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC=CCC2)CC(C)(C)C1 ZINC001089313964 801833573 /nfs/dbraw/zinc/83/35/73/801833573.db2.gz ZISWIJCZDYBKLB-CVEARBPZSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC2(C)C)CC(C)(C)C1 ZINC001089362279 801835486 /nfs/dbraw/zinc/83/54/86/801835486.db2.gz FGYVXVSBCHMLQG-CABCVRRESA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C2(F)CCCC2)CC(C)(C)C1 ZINC001089426907 801837345 /nfs/dbraw/zinc/83/73/45/801837345.db2.gz MRJSNSIDXQVDQQ-CQSZACIVSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C)C(C)C)C[C@]2(C)C1 ZINC001092066947 801859789 /nfs/dbraw/zinc/85/97/89/801859789.db2.gz APMICBOYWHCJKI-NUJGCVRESA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1C[C@H]2C[N@H+](CC(C)C)C[C@@]2(C)C1 ZINC001091911534 801859922 /nfs/dbraw/zinc/85/99/22/801859922.db2.gz VLHABYHOUFRJGJ-QAPCUYQASA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCCCCC1)C2 ZINC001095223777 801879736 /nfs/dbraw/zinc/87/97/36/801879736.db2.gz XAEUPYPLUUVOBC-IKGGRYGDSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCCCC1)C2 ZINC001095121854 801881594 /nfs/dbraw/zinc/88/15/94/801881594.db2.gz WVEXYEJXAWDETI-IKGGRYGDSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1C=CCCC1)C2 ZINC001095606971 801884616 /nfs/dbraw/zinc/88/46/16/801884616.db2.gz KSLDXVODSQXLNA-NCOADZHNSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC=CCC1)C2 ZINC001095876572 801885161 /nfs/dbraw/zinc/88/51/61/801885161.db2.gz UAFHOLHGRQZIPP-YVSFHVDLSA-N 1 1 288.435 3.030 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C)CC(=C)C1)C2 ZINC001095982689 801888542 /nfs/dbraw/zinc/88/85/42/801888542.db2.gz IEXXHQIUSDPUMK-PMPSAXMXSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)c1ccccc1)C2 ZINC001096364828 801888935 /nfs/dbraw/zinc/88/89/35/801888935.db2.gz AKYSQNFKVIKWAB-RANZSIQMSA-N 1 1 298.430 3.088 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C1CC1)C2 ZINC001097683488 801903743 /nfs/dbraw/zinc/90/37/43/801903743.db2.gz WHIFUNUPNJERCH-OAGGEKHMSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCC=CCC1)C2 ZINC001098426694 801908583 /nfs/dbraw/zinc/90/85/83/801908583.db2.gz WRKMKBAIKIXNPU-ZACQAIPSSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C(C)C)cc1)C2 ZINC001098270772 801910011 /nfs/dbraw/zinc/91/00/11/801910011.db2.gz IVWWDTROXHCUHW-KURKYZTESA-N 1 1 298.430 3.331 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCC=C ZINC001098966193 801922576 /nfs/dbraw/zinc/92/25/76/801922576.db2.gz HWYIEGQUYPSDQB-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)/C=C\C(C)(C)C ZINC001098977069 801924661 /nfs/dbraw/zinc/92/46/61/801924661.db2.gz ZYAFGYHPJXHKPQ-KVPUOBJLSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)CCC(=C)C)C[C@]2(C)C1 ZINC001101254130 801976574 /nfs/dbraw/zinc/97/65/74/801976574.db2.gz AWXKKELOPIEYAA-AEFFLSMTSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CN(C(=O)CC[C@@H](C)CC)C[C@]2(C)C1 ZINC001101403665 801977555 /nfs/dbraw/zinc/97/75/55/801977555.db2.gz PEDIZWISZDCOKN-JZXOWHBKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C2CCCC2)[C@H](C)C1 ZINC001101657412 801986056 /nfs/dbraw/zinc/98/60/56/801986056.db2.gz VYWURXWOHWAKAG-HLLBOEOZSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1C[N@@H+](CCCCCC)C[C@H]1C ZINC001101806470 801992586 /nfs/dbraw/zinc/99/25/86/801992586.db2.gz SBIVGRAYGWSVJW-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CC2CCC2)[C@H](C)C1 ZINC001101857116 801994232 /nfs/dbraw/zinc/99/42/32/801994232.db2.gz YBCINIVPEKJNOX-BFYDXBDKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1C[N@@H+](CC/C=C\CC)C[C@H]1C ZINC001102230088 802000084 /nfs/dbraw/zinc/00/00/84/802000084.db2.gz QOHSUZKVWYZYCN-NKIGNDQYSA-N 1 1 292.467 3.239 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NC[C@@H]1C[N@@H+](CC(=C)Cl)C[C@H]1C ZINC001102261314 802002519 /nfs/dbraw/zinc/00/25/19/802002519.db2.gz VLPVCKAZBJIXMR-GZBFAFLISA-N 1 1 298.858 3.025 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)CC(C)(C)C)[C@H](C)C1 ZINC001102435857 802008669 /nfs/dbraw/zinc/00/86/69/802008669.db2.gz MFFWWRZFHAUPOV-ARFHVFGLSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@H](CC)CCC)[C@H](C)C1 ZINC001102485561 802009277 /nfs/dbraw/zinc/00/92/77/802009277.db2.gz WMPAHCOYWGSDIK-BRWVUGGUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)C[C@H](CC)C(C)C)[C@H](C)C1 ZINC001102519632 802012078 /nfs/dbraw/zinc/01/20/78/802012078.db2.gz CYTQQWFYTDHYOY-IXDOHACOSA-N 1 1 294.483 3.319 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)C[C@H](C)C2CC2)[C@H](C)C1 ZINC001102603977 802013613 /nfs/dbraw/zinc/01/36/13/802013613.db2.gz DWUQCISKYKJYOQ-ZMSDIMECSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCCC(=O)NCC[C@@H]1C[N@@H+](CC2CC(C)C2)C[C@H]1C ZINC001102762450 802020281 /nfs/dbraw/zinc/02/02/81/802020281.db2.gz AKCZHXWVFSTLSZ-MNAZLIDISA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2CCC2)C1 ZINC001102824126 802021524 /nfs/dbraw/zinc/02/15/24/802021524.db2.gz GMMRLZNEHCFHRP-NVXWUHKLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(C)CC2)C1 ZINC001103013933 802026104 /nfs/dbraw/zinc/02/61/04/802026104.db2.gz SUZHRDVCPXXYBU-OWCLPIDISA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC(C)(C)CC(=O)NCC[C@@H]1C[N@@H+](CCCC)C[C@H]1C ZINC001103033369 802026606 /nfs/dbraw/zinc/02/66/06/802026606.db2.gz JDDATAPLCHQWEF-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC(C)(C)CC)C1 ZINC001103027866 802027649 /nfs/dbraw/zinc/02/76/49/802027649.db2.gz GGDLVSVVZHPPFW-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCC[C@@H]1C[N@@H+](CC(=C)C)C[C@H]1C ZINC001103401856 802033992 /nfs/dbraw/zinc/03/39/92/802033992.db2.gz QTABBOZRNJFAIU-NUJGCVRESA-N 1 1 292.467 3.239 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(CNC(=O)C(CC)CC)CCC[C@@H]12 ZINC001107294380 802086217 /nfs/dbraw/zinc/08/62/17/802086217.db2.gz YYYUTBVXPPKWGA-SJLPKXTDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)C/C=C(\C)C=C)CCC[C@@H]12 ZINC001107509451 802089262 /nfs/dbraw/zinc/08/92/62/802089262.db2.gz IZTIFFDXGOCUFP-VZZNNSKRSA-N 1 1 288.435 3.056 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](F)CC)CCC[C@@H]12 ZINC001107506838 802090314 /nfs/dbraw/zinc/09/03/14/802090314.db2.gz PBTNKDCLUZLAEF-ZMSDIMECSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)F)C2 ZINC001108856416 802102196 /nfs/dbraw/zinc/10/21/96/802102196.db2.gz SVVIQWVPGSZFMU-ILXRZTDVSA-N 1 1 296.430 3.202 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)C ZINC001109340421 802115508 /nfs/dbraw/zinc/11/55/08/802115508.db2.gz OLWQCICWOFFQET-PMPSAXMXSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C/C=C(\C)C=C)C2 ZINC001109619154 802118870 /nfs/dbraw/zinc/11/88/70/802118870.db2.gz JGHZXXFYNXBRLX-YVVSZRHPSA-N 1 1 288.435 3.197 20 30 CGEDMO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)CCC=C ZINC001109657547 802121218 /nfs/dbraw/zinc/12/12/18/802121218.db2.gz UFUAFESTDAUHPO-YVSFHVDLSA-N 1 1 290.451 3.419 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@](C)(C=C)CC)C2 ZINC001109679038 802123136 /nfs/dbraw/zinc/12/31/36/802123136.db2.gz PVMCWXGUTUNHOA-CVYDXHPNSA-N 1 1 290.451 3.276 20 30 CGEDMO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCC1)C2 ZINC001110223841 802131229 /nfs/dbraw/zinc/13/12/29/802131229.db2.gz DBIXANCPXUZFFM-ZACQAIPSSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(CC)CC)C2 ZINC001110307880 802136774 /nfs/dbraw/zinc/13/67/74/802136774.db2.gz WRJABJPWNLOVIN-OAGGEKHMSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)CC)C2 ZINC001110496840 802142560 /nfs/dbraw/zinc/14/25/60/802142560.db2.gz HTUPOFKCUOAAAW-JJXSEGSLSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)/C(C)=C\C)C2 ZINC001110435875 802143137 /nfs/dbraw/zinc/14/31/37/802143137.db2.gz YNBVRGHZEKTKDD-ILKDUCTFSA-N 1 1 276.424 3.029 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)C ZINC001110966680 802152371 /nfs/dbraw/zinc/15/23/71/802152371.db2.gz AVYYSGNJPUOGJG-OAGGEKHMSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C\Cl ZINC001111072892 802154475 /nfs/dbraw/zinc/15/44/75/802154475.db2.gz YLGBKYZAPPNAHU-KRDHWONMSA-N 1 1 296.842 3.063 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C/C=C\Cl ZINC001111072892 802154478 /nfs/dbraw/zinc/15/44/78/802154478.db2.gz YLGBKYZAPPNAHU-KRDHWONMSA-N 1 1 296.842 3.063 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(CC)CCCC1)C2 ZINC001111215213 802156310 /nfs/dbraw/zinc/15/63/10/802156310.db2.gz YVFZUUKMFKIYPF-OAGGEKHMSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)CCC(C)(C)C)C2 ZINC001111280408 802159107 /nfs/dbraw/zinc/15/91/07/802159107.db2.gz WYKAPYSVZJQWGV-JJXSEGSLSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(C)(C)F)C1 ZINC001111559790 802161165 /nfs/dbraw/zinc/16/11/65/802161165.db2.gz GJGMZUMQXAGHNM-KEYYUXOJSA-N 1 1 296.430 3.060 20 30 CGEDMO C=CCCC(=O)N1CC[NH+](Cc2ccc(C3CC3)cc2)CC1 ZINC001112688204 802184738 /nfs/dbraw/zinc/18/47/38/802184738.db2.gz HOFQJPIRDYGPOS-UHFFFAOYSA-N 1 1 298.430 3.174 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[C@H](C)CCC ZINC001114331583 802240930 /nfs/dbraw/zinc/24/09/30/802240930.db2.gz ONUMJESHXJABPG-CBZIJGRNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](C)CC(C)C)C[C@H]21 ZINC001114757585 802244704 /nfs/dbraw/zinc/24/47/04/802244704.db2.gz MZGVVLJXMLDBKX-LISAXSMJSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCCC(C)C ZINC001115000526 802249454 /nfs/dbraw/zinc/24/94/54/802249454.db2.gz HGALXJROHXBBEJ-VQFNDLOPSA-N 1 1 292.467 3.215 20 30 CGEDMO CC1(C)C[N@@H+](CCC(=O)Nc2sccc2C#N)C1(C)C ZINC001116344673 802332062 /nfs/dbraw/zinc/33/20/62/802332062.db2.gz NJZNDNNEKLSVHB-UHFFFAOYSA-N 1 1 291.420 3.069 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC001116598599 802383433 /nfs/dbraw/zinc/38/34/33/802383433.db2.gz NHBNZPLQXBBOSB-CQSZACIVSA-N 1 1 267.319 3.401 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1C[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC001172501448 808357371 /nfs/dbraw/zinc/35/73/71/808357371.db2.gz CZTWXZFXLDZPMI-MJBXVCDLSA-N 1 1 295.427 3.056 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@H]2CCc3ccc(C)cc3C2)C1 ZINC001172844925 808459213 /nfs/dbraw/zinc/45/92/13/808459213.db2.gz VWOPHKQWTHAHNN-YJBOKZPZSA-N 1 1 253.389 3.198 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)C2CCCCCC2)C1 ZINC001270942490 808755624 /nfs/dbraw/zinc/75/56/24/808755624.db2.gz YZLDVHIKEPFGDT-SFHVURJKSA-N 1 1 292.467 3.361 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)C1 ZINC001117706751 802479520 /nfs/dbraw/zinc/47/95/20/802479520.db2.gz NSFBTXJIIPYFAT-KFWWJZLASA-N 1 1 294.402 3.435 20 30 CGEDMO CC(C)c1cc([C@@H]2CCC[N@@H+](CCCCC#N)C2)[nH]n1 ZINC001119269367 802640230 /nfs/dbraw/zinc/64/02/30/802640230.db2.gz YSRGHQHJOKMVEF-CQSZACIVSA-N 1 1 274.412 3.406 20 30 CGEDMO CC(C)c1cc([C@@H]2CCC[N@H+](CCCCC#N)C2)n[nH]1 ZINC001119269367 802640234 /nfs/dbraw/zinc/64/02/34/802640234.db2.gz YSRGHQHJOKMVEF-CQSZACIVSA-N 1 1 274.412 3.406 20 30 CGEDMO CC(C)c1cc([C@@H]2CCC[N@@H+](CCCCC#N)C2)n[nH]1 ZINC001119269367 802640237 /nfs/dbraw/zinc/64/02/37/802640237.db2.gz YSRGHQHJOKMVEF-CQSZACIVSA-N 1 1 274.412 3.406 20 30 CGEDMO C=CC[C@H]([NH2+][C@H]1CCCC(C)(C)CC1)C(=O)OCC ZINC001181454823 810053904 /nfs/dbraw/zinc/05/39/04/810053904.db2.gz GTTKCMLFGPMCIE-KBPBESRZSA-N 1 1 267.413 3.443 20 30 CGEDMO C=CC[C@H]([NH2+][C@H](C)[C@@H]1CC2CCC1CC2)C(=O)OCC ZINC001181454283 810053988 /nfs/dbraw/zinc/05/39/88/810053988.db2.gz DDAYFRISEUUMKG-WNZFAQLISA-N 1 1 279.424 3.299 20 30 CGEDMO N#CCc1cccc2c1CC[N@H+](CCCC(F)(F)F)C2 ZINC001120043263 802729636 /nfs/dbraw/zinc/72/96/36/802729636.db2.gz IICUUHIOJAADBL-UHFFFAOYSA-N 1 1 282.309 3.453 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CCC)C1 ZINC001120347185 802740565 /nfs/dbraw/zinc/74/05/65/802740565.db2.gz DODKCJNUYLMFPU-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CC)C1 ZINC001120430071 802744738 /nfs/dbraw/zinc/74/47/38/802744738.db2.gz GZINCIZXZPERRE-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H](NC(=O)C2CC2)CC[C@@H]1C ZINC001131731024 803338218 /nfs/dbraw/zinc/33/82/18/803338218.db2.gz TVBLPTDLZNROJS-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)C2CCCC2)CC[C@@H]1C ZINC001131730490 803339041 /nfs/dbraw/zinc/33/90/41/803339041.db2.gz MFSMLEIMPGPJDK-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H](NC(=O)CC)CC[C@H]1C ZINC001131736538 803339731 /nfs/dbraw/zinc/33/97/31/803339731.db2.gz ZKNWIXVIILFJSW-HUUCEWRRSA-N 1 1 268.445 3.336 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)o2)CC[C@@H]1C ZINC001131768721 803344336 /nfs/dbraw/zinc/34/43/36/803344336.db2.gz STPBYADMPUJZTQ-ZFWWWQNUSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCCC[N@H+]1C[C@H](NC(=O)/C(C)=C/CC)CC[C@H]1C ZINC001131871725 803354726 /nfs/dbraw/zinc/35/47/26/803354726.db2.gz WOMIYZHKVVRKBD-BNSCMJDNSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccsc2)C1 ZINC001131894846 803355247 /nfs/dbraw/zinc/35/52/47/803355247.db2.gz CCHZVCPLAPXJFM-ZFWWWQNUSA-N 1 1 292.448 3.183 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC2CCCC2)C1 ZINC001131895737 803355357 /nfs/dbraw/zinc/35/53/57/803355357.db2.gz LNFFBEAIFLIPBY-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@H](NC(=O)/C=C(/C)C2CC2)CC[C@H]1C ZINC001131904598 803356293 /nfs/dbraw/zinc/35/62/93/803356293.db2.gz SSBRGTPQTJECDY-JPAZDARGSA-N 1 1 296.842 3.064 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)/C=C(/C)C2CC2)CC[C@H]1C ZINC001131904598 803356300 /nfs/dbraw/zinc/35/63/00/803356300.db2.gz SSBRGTPQTJECDY-JPAZDARGSA-N 1 1 296.842 3.064 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C=C(CC)CC)CC[C@H]1C ZINC001131950772 803361861 /nfs/dbraw/zinc/36/18/61/803361861.db2.gz OBYCNISIIZYYJB-UKRRQHHQSA-N 1 1 298.858 3.454 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C=C(CC)CC)CC[C@H]1C ZINC001131950772 803361867 /nfs/dbraw/zinc/36/18/67/803361867.db2.gz OBYCNISIIZYYJB-UKRRQHHQSA-N 1 1 298.858 3.454 20 30 CGEDMO C#CCCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCCC=C)C1 ZINC001131976904 803364538 /nfs/dbraw/zinc/36/45/38/803364538.db2.gz QHUKKIYVAKQSPO-SJORKVTESA-N 1 1 290.451 3.115 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCC(=C)C)C1 ZINC001132072548 803371609 /nfs/dbraw/zinc/37/16/09/803371609.db2.gz LTNVWVAHTWYSNO-JKSUJKDBSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCC[N@H+]1C[C@H](NC(=O)CC(C)(C)CC)CC[C@H]1C ZINC001132064036 803371725 /nfs/dbraw/zinc/37/17/25/803371725.db2.gz CXCYMXNMDNMUCI-HUUCEWRRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)C2(CC(C)C)CCC2)CC[C@@H]1C ZINC001132168766 803376670 /nfs/dbraw/zinc/37/66/70/803376670.db2.gz FUKKJEUNJQWWPA-JKSUJKDBSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](C/C=C/Cl)C1 ZINC001132222271 803379645 /nfs/dbraw/zinc/37/96/45/803379645.db2.gz VVWXTVLMUCPVAO-VAIDBEGPSA-N 1 1 298.858 3.310 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](C/C=C/Cl)C1 ZINC001132222271 803379652 /nfs/dbraw/zinc/37/96/52/803379652.db2.gz VVWXTVLMUCPVAO-VAIDBEGPSA-N 1 1 298.858 3.310 20 30 CGEDMO C#CCC[N@H+]1C[C@H](NC(=O)C(CCC)CCC)CC[C@H]1C ZINC001132256357 803389206 /nfs/dbraw/zinc/38/92/06/803389206.db2.gz MQAASRRMUKNBFS-NVXWUHKLSA-N 1 1 292.467 3.195 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)CCCC(C)C)CC[C@H]1C ZINC001132319052 803394568 /nfs/dbraw/zinc/39/45/68/803394568.db2.gz UBTFZBGFJJZMLY-CVEARBPZSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=C)C)C1 ZINC001132332853 803395799 /nfs/dbraw/zinc/39/57/99/803395799.db2.gz XKBJYHNBJOGYJV-LSDHHAIUSA-N 1 1 278.440 3.134 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(N2CCCC2)o1 ZINC001137070038 803679612 /nfs/dbraw/zinc/67/96/12/803679612.db2.gz YGCYTYYWZNSQQA-QKDCVEJESA-N 1 1 285.391 3.146 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CCCCC23CC3)cc1 ZINC001137120440 803685023 /nfs/dbraw/zinc/68/50/23/803685023.db2.gz MUDYXVPTZWUCEY-UHFFFAOYSA-N 1 1 256.349 3.107 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1ccc(-n2cccn2)cc1 ZINC001137758424 803767359 /nfs/dbraw/zinc/76/73/59/803767359.db2.gz VNUOYCAGJYKTPK-UHFFFAOYSA-N 1 1 282.391 3.388 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1ccc(-n2cccn2)cc1 ZINC001137758424 803767365 /nfs/dbraw/zinc/76/73/65/803767365.db2.gz VNUOYCAGJYKTPK-UHFFFAOYSA-N 1 1 282.391 3.388 20 30 CGEDMO C#CCOc1ccc(C[N@H+](C)C(CC)CC)cc1OC ZINC001138348226 803898217 /nfs/dbraw/zinc/89/82/17/803898217.db2.gz IFEUARSKXWGGNN-UHFFFAOYSA-N 1 1 275.392 3.328 20 30 CGEDMO Cc1[nH+]ccn1-c1ccc(CN2CCCC[C@H]2C#N)cc1 ZINC001138549028 803963404 /nfs/dbraw/zinc/96/34/04/803963404.db2.gz OGJVUBSPKZJMAL-KRWDZBQOSA-N 1 1 280.375 3.059 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2CC[C@](C)(F)[C@H](F)C2)c1O ZINC001138625465 803982111 /nfs/dbraw/zinc/98/21/11/803982111.db2.gz LUJPRPRZYJBSDU-ZBFHGGJFSA-N 1 1 281.346 3.393 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2CCCC[C@H]2COC)c1O ZINC001138625622 803982199 /nfs/dbraw/zinc/98/21/99/803982199.db2.gz QUSFNGNKRIORPV-INIZCTEOSA-N 1 1 275.392 3.122 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001138665743 803996226 /nfs/dbraw/zinc/99/62/26/803996226.db2.gz WISFCRPVWACQJR-GOSISDBHSA-N 1 1 287.403 3.396 20 30 CGEDMO C=C(C)COc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001138663561 803998015 /nfs/dbraw/zinc/99/80/15/803998015.db2.gz YAZHMHMDHGFRQQ-GJZGRUSLSA-N 1 1 275.392 3.251 20 30 CGEDMO CCN(CC)c1ncc(C[N@H+]2CCC[C@@H](C#N)CC2)s1 ZINC001138800040 804041665 /nfs/dbraw/zinc/04/16/65/804041665.db2.gz QIJYJCDZUGEOCI-CYBMUJFWSA-N 1 1 292.452 3.115 20 30 CGEDMO CCCCCCCCCC[C@H](O)CNC12CC([NH3+])(C1)C2 ZINC001246012869 804098445 /nfs/dbraw/zinc/09/84/45/804098445.db2.gz CBQKEKMVYYLKRK-GTPINHCMSA-N 1 1 282.472 3.102 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+]1CCNC[C@H]1C(C)C ZINC001246039485 804101892 /nfs/dbraw/zinc/10/18/92/804101892.db2.gz MYJNFAFIVPDNQF-IRXDYDNUSA-N 1 1 284.488 3.028 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCNC[C@H]1C(C)C ZINC001246039485 804101897 /nfs/dbraw/zinc/10/18/97/804101897.db2.gz MYJNFAFIVPDNQF-IRXDYDNUSA-N 1 1 284.488 3.028 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CC[C@H]2O[C@@H](C)C[C@H]2C1 ZINC001139028420 804112161 /nfs/dbraw/zinc/11/21/61/804112161.db2.gz SZOVQWACNCEJKH-QILLFSRXSA-N 1 1 287.403 3.251 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCOC[C@@H]1C(C)C ZINC001139030564 804114977 /nfs/dbraw/zinc/11/49/77/804114977.db2.gz QJSCPAXMTKJYOL-MRXNPFEDSA-N 1 1 275.392 3.108 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCOC[C@@H]1C(C)C ZINC001139030564 804114980 /nfs/dbraw/zinc/11/49/80/804114980.db2.gz QJSCPAXMTKJYOL-MRXNPFEDSA-N 1 1 275.392 3.108 20 30 CGEDMO C[N@@H+](Cc1ccc2nsnc2c1)Cc1cccc(C#N)c1 ZINC001139215722 804165689 /nfs/dbraw/zinc/16/56/89/804165689.db2.gz QQXSHLIKBNMUPO-UHFFFAOYSA-N 1 1 294.383 3.195 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](C(F)F)C2)cc1F ZINC001139527245 804202222 /nfs/dbraw/zinc/20/22/22/804202222.db2.gz CEUMWQNGGVSIHX-GFCCVEGCSA-N 1 1 268.282 3.174 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(C)ccc2OCC)C1 ZINC001139604853 804223825 /nfs/dbraw/zinc/22/38/25/804223825.db2.gz OKKSKQFHFHZWGD-OAHLLOKOSA-N 1 1 257.377 3.239 20 30 CGEDMO N#Cc1c(Cl)cccc1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001139690154 804255331 /nfs/dbraw/zinc/25/53/31/804255331.db2.gz RGCFXDWCFPCADX-CJNGLKHVSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1c(Cl)cccc1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001139690154 804255338 /nfs/dbraw/zinc/25/53/38/804255338.db2.gz RGCFXDWCFPCADX-CJNGLKHVSA-N 1 1 290.794 3.213 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2c[nH]c3c2cccc3C#N)CCC[C@]1(C)O ZINC001139701608 804259374 /nfs/dbraw/zinc/25/93/74/804259374.db2.gz MEFGYLDISAXMGR-ACJLOTCBSA-N 1 1 297.402 3.022 20 30 CGEDMO Cc1ncccc1C[N@@H+](C)Cc1c[nH]c2c1cccc2C#N ZINC001139707112 804260230 /nfs/dbraw/zinc/26/02/30/804260230.db2.gz PXIDPCFNMBEGCS-UHFFFAOYSA-N 1 1 290.370 3.375 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(Cl)cc2)no1 ZINC001212325579 815005337 /nfs/dbraw/zinc/00/53/37/815005337.db2.gz VYLATMUYVJIQAJ-LBPRGKRZSA-N 1 1 275.739 3.193 20 30 CGEDMO COCc1ccc(C[N@@H+]2CCc3cc(C#N)ccc3C2)s1 ZINC001139826436 804291384 /nfs/dbraw/zinc/29/13/84/804291384.db2.gz WUMHFTXYYSEVLN-UHFFFAOYSA-N 1 1 298.411 3.324 20 30 CGEDMO COCc1ccc(C[N@H+]2CCc3cc(C#N)ccc3C2)s1 ZINC001139826436 804291393 /nfs/dbraw/zinc/29/13/93/804291393.db2.gz WUMHFTXYYSEVLN-UHFFFAOYSA-N 1 1 298.411 3.324 20 30 CGEDMO COc1ccc(CC[N@@H+](C)Cc2cc(F)cc(C#N)c2)cc1 ZINC001139875549 804305848 /nfs/dbraw/zinc/30/58/48/804305848.db2.gz TYZVFNRJBUTYGT-UHFFFAOYSA-N 1 1 298.361 3.380 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3ccccc3C3CC3)CC[C@@H]2S1 ZINC001139881714 804311955 /nfs/dbraw/zinc/31/19/55/804311955.db2.gz VZJHQXWHFYJOOA-INIZCTEOSA-N 1 1 285.412 3.338 20 30 CGEDMO O=C1C=C2C[N@@H+](Cc3ccccc3C3CC3)CCC2S1 ZINC001139881714 804311963 /nfs/dbraw/zinc/31/19/63/804311963.db2.gz VZJHQXWHFYJOOA-INIZCTEOSA-N 1 1 285.412 3.338 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3ccccc3C3CC3)CCC2S1 ZINC001139881714 804311972 /nfs/dbraw/zinc/31/19/72/804311972.db2.gz VZJHQXWHFYJOOA-INIZCTEOSA-N 1 1 285.412 3.338 20 30 CGEDMO C=CCC[C@H](C)NC1(c2cccc(F)c2)CC[NH2+]CC1 ZINC001246436920 804332103 /nfs/dbraw/zinc/33/21/03/804332103.db2.gz KZWQSMQVNZYCLR-AWEZNQCLSA-N 1 1 276.399 3.349 20 30 CGEDMO C=CCC[C@H](C)[NH2+]C1(c2cccc(F)c2)CCNCC1 ZINC001246436920 804332112 /nfs/dbraw/zinc/33/21/12/804332112.db2.gz KZWQSMQVNZYCLR-AWEZNQCLSA-N 1 1 276.399 3.349 20 30 CGEDMO Cc1nccn1-c1ccccc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001140028410 804354239 /nfs/dbraw/zinc/35/42/39/804354239.db2.gz VIRGMZHVNUHYFF-MRXNPFEDSA-N 1 1 294.402 3.306 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(O)cc2Cl)C1 ZINC001140085532 804375597 /nfs/dbraw/zinc/37/55/97/804375597.db2.gz QPPNNEAZUDJNCK-NSHDSACASA-N 1 1 264.756 3.171 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccc(O)cc2Cl)C1 ZINC001140085532 804375606 /nfs/dbraw/zinc/37/56/06/804375606.db2.gz QPPNNEAZUDJNCK-NSHDSACASA-N 1 1 264.756 3.171 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)CCC[C@@]1(C)O ZINC001140110322 804378948 /nfs/dbraw/zinc/37/89/48/804378948.db2.gz IQLRLSFMEFINAQ-SCLBCKFNSA-N 1 1 297.402 3.022 20 30 CGEDMO N#Cc1ccc2[nH]cc(C[N@@H+]3CC[C@H](C(F)(F)F)C3)c2c1 ZINC001140115072 804381166 /nfs/dbraw/zinc/38/11/66/804381166.db2.gz LVRVLBPUCHXCPO-LBPRGKRZSA-N 1 1 293.292 3.424 20 30 CGEDMO C[C@@]1(N)CC[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001246528983 804381302 /nfs/dbraw/zinc/38/13/02/804381302.db2.gz IUNWBQLTNQUIMS-DAWZGUTISA-N 1 1 283.419 3.008 20 30 CGEDMO C[C@@]1(N)CC[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001246528983 804381310 /nfs/dbraw/zinc/38/13/10/804381310.db2.gz IUNWBQLTNQUIMS-DAWZGUTISA-N 1 1 283.419 3.008 20 30 CGEDMO C[C@@]1([NH3+])CCN(C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001246528983 804381318 /nfs/dbraw/zinc/38/13/18/804381318.db2.gz IUNWBQLTNQUIMS-DAWZGUTISA-N 1 1 283.419 3.008 20 30 CGEDMO COCC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1F ZINC001140137771 804386327 /nfs/dbraw/zinc/38/63/27/804386327.db2.gz YHQANYXTCIPNTO-OAHLLOKOSA-N 1 1 276.355 3.088 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2cccc3cnccc32)CC1 ZINC001140143960 804388933 /nfs/dbraw/zinc/38/89/33/804388933.db2.gz ZYBMEIVQRVMXGJ-CQSZACIVSA-N 1 1 265.360 3.360 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@@H+](C)C[C@H]1CNCCO1 ZINC001246549539 804399223 /nfs/dbraw/zinc/39/92/23/804399223.db2.gz MKCBOJWUMRJSNH-HZPDHXFCSA-N 1 1 270.461 3.046 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CC[C@@H](N)[C@H](F)CC1 ZINC001246596074 804436717 /nfs/dbraw/zinc/43/67/17/804436717.db2.gz YTVBSSLKCZWWPZ-RRFJBIMHSA-N 1 1 258.425 3.497 20 30 CGEDMO C#CC[N@@H+](C)Cc1cc(Cl)ccc1C(F)(F)F ZINC001140567028 804462037 /nfs/dbraw/zinc/46/20/37/804462037.db2.gz ZKLQXRORGYJTIJ-UHFFFAOYSA-N 1 1 261.674 3.424 20 30 CGEDMO C#CC[N@H+](C)Cc1cc(Cl)ccc1C(F)(F)F ZINC001140567028 804462039 /nfs/dbraw/zinc/46/20/39/804462039.db2.gz ZKLQXRORGYJTIJ-UHFFFAOYSA-N 1 1 261.674 3.424 20 30 CGEDMO CCC[N@@H+](CCOC)Cc1cc(C#N)ccc1Cl ZINC001140599910 804471562 /nfs/dbraw/zinc/47/15/62/804471562.db2.gz WLKVNCNSMPWGTR-UHFFFAOYSA-N 1 1 266.772 3.070 20 30 CGEDMO COc1ccc(C[N@H+]2CCc3ccc(C#N)cc3C2)c(C)c1 ZINC001140673941 804487665 /nfs/dbraw/zinc/48/76/65/804487665.db2.gz ZXKNBQNWNZYLTD-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO CCCCCCCCC[C@H](C)[N@H+]1C[C@H]2CNC[C@@H](C1)O2 ZINC001246680041 804493995 /nfs/dbraw/zinc/49/39/95/804493995.db2.gz SGVOKVFOCTVOFZ-YESZJQIVSA-N 1 1 282.472 3.188 20 30 CGEDMO CCCCCCCCC[C@H](C)[N@@H+]1C[C@H]2CNC[C@@H](C1)O2 ZINC001246680041 804494001 /nfs/dbraw/zinc/49/40/01/804494001.db2.gz SGVOKVFOCTVOFZ-YESZJQIVSA-N 1 1 282.472 3.188 20 30 CGEDMO CCCCCCCCCC[C@H](C)[N@H+]1CCNC[C@H]1CO ZINC001246697293 804499269 /nfs/dbraw/zinc/49/92/69/804499269.db2.gz MKVMWOSFMZIMMD-IRXDYDNUSA-N 1 1 284.488 3.172 20 30 CGEDMO CCCCCCCCCC[C@H](C)N1CC[NH2+]C[C@H]1CO ZINC001246697293 804499275 /nfs/dbraw/zinc/49/92/75/804499275.db2.gz MKVMWOSFMZIMMD-IRXDYDNUSA-N 1 1 284.488 3.172 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)C1CCC(C#N)CC1 ZINC001256968514 807018233 /nfs/dbraw/zinc/01/82/33/807018233.db2.gz HGZZFLCUPDSRCU-UHFFFAOYSA-N 1 1 253.349 3.072 20 30 CGEDMO CCCCCC[NH+]1CCN(C2CCC(C#N)CC2)CC1 ZINC001256968612 807019146 /nfs/dbraw/zinc/01/91/46/807019146.db2.gz ISJVNZDJSRNWHS-UHFFFAOYSA-N 1 1 277.456 3.267 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H]1CCN[C@H](c2ccccc2)C1 ZINC001246856088 804564150 /nfs/dbraw/zinc/56/41/50/804564150.db2.gz YWRPJYCYPCFYMI-IRXDYDNUSA-N 1 1 258.409 3.378 20 30 CGEDMO N#CC1CCC([N@H+]2CCc3c([nH]nc3C(F)(F)F)C2)CC1 ZINC001256971644 807020915 /nfs/dbraw/zinc/02/09/15/807020915.db2.gz KXMIWXDRSQHXQI-SRHKJQAYSA-N 1 1 298.312 3.425 20 30 CGEDMO CCC[N@H+](Cc1sc(N)c(C#N)c1Cl)CC1CC1 ZINC001141108778 804592325 /nfs/dbraw/zinc/59/23/25/804592325.db2.gz HAQWFSBTDQJLEU-UHFFFAOYSA-N 1 1 283.828 3.477 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC001141155448 804599812 /nfs/dbraw/zinc/59/98/12/804599812.db2.gz VWFHFSZMTXSIPE-NSHDSACASA-N 1 1 294.301 3.134 20 30 CGEDMO CCCCCCC[C@H](CCC)[N@@H+]1C[C@@H]2CN[C@@H]2C1 ZINC001246920153 804599905 /nfs/dbraw/zinc/59/99/05/804599905.db2.gz OWCLGURYWPIYEC-HRCADAONSA-N 1 1 252.446 3.419 20 30 CGEDMO CCCCCCC[C@H](CCC)[N@H+]1C[C@@H]2CN[C@@H]2C1 ZINC001246920153 804599913 /nfs/dbraw/zinc/59/99/13/804599913.db2.gz OWCLGURYWPIYEC-HRCADAONSA-N 1 1 252.446 3.419 20 30 CGEDMO C=CC[N@H+](Cc1cc(O)c(OC)c(OC)c1)C(C)(C)C ZINC001141175125 804604052 /nfs/dbraw/zinc/60/40/52/804604052.db2.gz KIHWDWFAKDKLLM-UHFFFAOYSA-N 1 1 279.380 3.196 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2ccc(-c3ncccn3)cc2)CC1 ZINC001141187331 804606415 /nfs/dbraw/zinc/60/64/15/804606415.db2.gz FTTAEDCBXWJBCO-HNNXBMFYSA-N 1 1 292.386 3.269 20 30 CGEDMO C=CC[N@@H+](C1CCCCC1)[C@@H]1CC[NH2+][C@@H](CC)C1 ZINC001246944839 804612316 /nfs/dbraw/zinc/61/23/16/804612316.db2.gz CYPMKPBPLDSWET-GOEBONIOSA-N 1 1 250.430 3.338 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2cc3cccnc3cc2F)CC1 ZINC001141630950 804658850 /nfs/dbraw/zinc/65/88/50/804658850.db2.gz GVFCRZZYWUUJBQ-ZDUSSCGKSA-N 1 1 283.350 3.500 20 30 CGEDMO C=C1CCC(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001141738366 804666679 /nfs/dbraw/zinc/66/66/79/804666679.db2.gz FELMQTPSUAREDX-IYBDPMFKSA-N 1 1 292.467 3.217 20 30 CGEDMO CCCCCCCCNC(=S)N1CC[N@H+]2CCC[C@@H]2C1 ZINC001247154732 804670699 /nfs/dbraw/zinc/67/06/99/804670699.db2.gz UGZCKEHMDDJVLH-OAHLLOKOSA-N 1 1 297.512 3.001 20 30 CGEDMO CCCCCCCCNC(=S)N[C@@H]1CC[N@H+](C(C)C)C1 ZINC001247171197 804673670 /nfs/dbraw/zinc/67/36/70/804673670.db2.gz LYJXRBGUIQECTB-OAHLLOKOSA-N 1 1 299.528 3.294 20 30 CGEDMO CCCCCCCCNC(=S)NCC[C@@H]1CCC[N@H+]1C ZINC001247171216 804673819 /nfs/dbraw/zinc/67/38/19/804673819.db2.gz MPTSZBUTAPPVGI-HNNXBMFYSA-N 1 1 299.528 3.295 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)c(SC)n1)CC1CC1 ZINC001141928898 804679338 /nfs/dbraw/zinc/67/93/38/804679338.db2.gz CELVZBUMBMBFDV-UHFFFAOYSA-N 1 1 275.421 3.297 20 30 CGEDMO CSc1nc(C[N@@H+](C)CC(C)(C)C)ccc1C#N ZINC001141938739 804680690 /nfs/dbraw/zinc/68/06/90/804680690.db2.gz GXHHMUGBXICBOJ-UHFFFAOYSA-N 1 1 263.410 3.153 20 30 CGEDMO CSc1nc(C[N@H+]2CC[C@H](C)C[C@H]2C)ccc1C#N ZINC001141941769 804680893 /nfs/dbraw/zinc/68/08/93/804680893.db2.gz XBIXMRNTJIXQOH-NWDGAFQWSA-N 1 1 275.421 3.296 20 30 CGEDMO Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001142178074 804700614 /nfs/dbraw/zinc/70/06/14/804700614.db2.gz AXNYGQZHMJZWID-OAHLLOKOSA-N 1 1 288.439 3.381 20 30 CGEDMO C#CC[C@@H]([NH3+])c1nc(-c2cc(C(F)(F)F)ccc2C)no1 ZINC001247609741 804779862 /nfs/dbraw/zinc/77/98/62/804779862.db2.gz NQUZTMSNPRFNGO-LLVKDONJSA-N 1 1 295.264 3.087 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH3+])c1nc(-c2ccc(CCCC)cc2)no1 ZINC001247621297 804781421 /nfs/dbraw/zinc/78/14/21/804781421.db2.gz QZBPLYCHGUOHRN-RHSMWYFYSA-N 1 1 283.375 3.439 20 30 CGEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2ccccn2)no1 ZINC001247639241 804791416 /nfs/dbraw/zinc/79/14/16/804791416.db2.gz INQJMIAOHISAIR-LBPRGKRZSA-N 1 1 272.352 3.268 20 30 CGEDMO C[C@@H]1CCCC[N@@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143165131 804813824 /nfs/dbraw/zinc/81/38/24/804813824.db2.gz VTTAUPZTMPZTIA-LLVKDONJSA-N 1 1 264.319 3.458 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](F)CC2)c1F ZINC001143164341 804815325 /nfs/dbraw/zinc/81/53/25/804815325.db2.gz DMQRBKRTGOZXGP-LLVKDONJSA-N 1 1 268.282 3.160 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](F)CC2)c1F ZINC001143164341 804815333 /nfs/dbraw/zinc/81/53/33/804815333.db2.gz DMQRBKRTGOZXGP-LLVKDONJSA-N 1 1 268.282 3.160 20 30 CGEDMO C#CC[NH+](CC#C)Cc1cc(C)cc(C(F)(F)F)c1 ZINC001143458037 804856034 /nfs/dbraw/zinc/85/60/34/804856034.db2.gz MNFOXBBYSDXCHP-UHFFFAOYSA-N 1 1 265.278 3.082 20 30 CGEDMO CC[N@H+](C)Cc1nc(-c2ccc(C(C)(C)C)cc2C#N)no1 ZINC001248144873 804886890 /nfs/dbraw/zinc/88/68/90/804886890.db2.gz DKYWECFDWIARRF-UHFFFAOYSA-N 1 1 298.390 3.357 20 30 CGEDMO CC[N@@H+](C)Cc1nc(-c2ccc(C(C)(C)C)cc2C#N)no1 ZINC001248144873 804886898 /nfs/dbraw/zinc/88/68/98/804886898.db2.gz DKYWECFDWIARRF-UHFFFAOYSA-N 1 1 298.390 3.357 20 30 CGEDMO C[C@H]1C[C@H]2C[N@H+](Cc3c(Cl)cccc3C#N)CC[C@H]2O1 ZINC001143719487 804888104 /nfs/dbraw/zinc/88/81/04/804888104.db2.gz ZJKVSGLBDCHRJE-DETPVDSQSA-N 1 1 290.794 3.211 20 30 CGEDMO C[C@H]1C[C@H]2C[N@@H+](Cc3c(Cl)cccc3C#N)CC[C@H]2O1 ZINC001143719487 804888111 /nfs/dbraw/zinc/88/81/11/804888111.db2.gz ZJKVSGLBDCHRJE-DETPVDSQSA-N 1 1 290.794 3.211 20 30 CGEDMO N#Cc1ccc(C2CCC([N@H+]3CCC34COC4)CC2)cc1 ZINC001257020814 807029308 /nfs/dbraw/zinc/02/93/08/807029308.db2.gz JQVBAWXSGBHCSU-UHFFFAOYSA-N 1 1 282.387 3.059 20 30 CGEDMO N#CCC[N@H+](Cc1ccc2cc[nH]c2n1)C1CCCC1 ZINC001144177531 804948315 /nfs/dbraw/zinc/94/83/15/804948315.db2.gz QUWUOJARRRZRES-UHFFFAOYSA-N 1 1 268.364 3.221 20 30 CGEDMO N#CCC[N@@H+](Cc1ccc2cc[nH]c2n1)C1CCCC1 ZINC001144177531 804948320 /nfs/dbraw/zinc/94/83/20/804948320.db2.gz QUWUOJARRRZRES-UHFFFAOYSA-N 1 1 268.364 3.221 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@@H+]1CC[C@@](C)(F)[C@H](F)C1 ZINC001248748263 804982162 /nfs/dbraw/zinc/98/21/62/804982162.db2.gz CYDKQPHIUQQZST-HZPDHXFCSA-N 1 1 278.346 3.393 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CC[C@@](C)(F)[C@H](F)C1 ZINC001248748263 804982166 /nfs/dbraw/zinc/98/21/66/804982166.db2.gz CYDKQPHIUQQZST-HZPDHXFCSA-N 1 1 278.346 3.393 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1CN1CCCC1 ZINC001248751929 804983616 /nfs/dbraw/zinc/98/36/16/804983616.db2.gz PREJRWDNOAVRTQ-LJQANCHMSA-N 1 1 297.446 3.181 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1CN1CCCC1 ZINC001248751929 804983618 /nfs/dbraw/zinc/98/36/18/804983618.db2.gz PREJRWDNOAVRTQ-LJQANCHMSA-N 1 1 297.446 3.181 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001248751606 804984310 /nfs/dbraw/zinc/98/43/10/804984310.db2.gz CLGLQZFHXTVVNQ-CQSZACIVSA-N 1 1 267.376 3.246 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001248751334 804984538 /nfs/dbraw/zinc/98/45/38/804984538.db2.gz SSSFJAGXMNNYAI-HRCADAONSA-N 1 1 258.340 3.053 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@H](CCC)CC1 ZINC001144643773 805020478 /nfs/dbraw/zinc/02/04/78/805020478.db2.gz BAYIQEAJDSVBOH-ULQDDVLXSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCC[N@@H+](C)Cc1cc(F)c(O)cc1F ZINC001144660162 805026993 /nfs/dbraw/zinc/02/69/93/805026993.db2.gz VLBFWASDBICAMH-UHFFFAOYSA-N 1 1 255.308 3.459 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cc(F)c(O)cc1F ZINC001144660162 805027006 /nfs/dbraw/zinc/02/70/06/805027006.db2.gz VLBFWASDBICAMH-UHFFFAOYSA-N 1 1 255.308 3.459 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)C[C@@H](C)CCC)C2)C1 ZINC001147165462 805113348 /nfs/dbraw/zinc/11/33/48/805113348.db2.gz GXLUNLDWBQGLKD-ZDUSSCGKSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)C[C@@H](C)CCC)C2)C1 ZINC001147165462 805113354 /nfs/dbraw/zinc/11/33/54/805113354.db2.gz GXLUNLDWBQGLKD-ZDUSSCGKSA-N 1 1 298.858 3.100 20 30 CGEDMO COCC[C@H]1CCCC[N@H+]1Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249428878 805147373 /nfs/dbraw/zinc/14/73/73/805147373.db2.gz FNYSIJMDSCZAOK-QGZVFWFLSA-N 1 1 297.402 3.431 20 30 CGEDMO N#Cc1ccc2cc(C[N@H+]3CCC[C@H]4C[C@H]43)[nH]c2c1 ZINC001249430283 805148291 /nfs/dbraw/zinc/14/82/91/805148291.db2.gz LEBNDUICASVTMV-XJKSGUPXSA-N 1 1 251.333 3.024 20 30 CGEDMO CC(C)(C)c1c[nH]c(C[N@H+]2CCC[C@H](C#N)CC2)c1 ZINC001249479120 805157877 /nfs/dbraw/zinc/15/78/77/805157877.db2.gz PKQDVSWBQNEECK-ZDUSSCGKSA-N 1 1 259.397 3.438 20 30 CGEDMO Cc1cc(C(F)(F)F)c(C[NH+]2CCC(S)CC2)cn1 ZINC001249515351 805163179 /nfs/dbraw/zinc/16/31/79/805163179.db2.gz WQBHVKIORYFQGD-UHFFFAOYSA-N 1 1 290.354 3.303 20 30 CGEDMO C=CCCCC(=O)N1CC2(C1)CC[N@H+](CCCC(C)C)C2 ZINC001148199570 805167567 /nfs/dbraw/zinc/16/75/67/805167567.db2.gz KICQSFBAJLONHD-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(CN(C(=O)C(C)(C)CCC)C2)C1 ZINC001148194054 805168078 /nfs/dbraw/zinc/16/80/78/805168078.db2.gz QHDNBWMSMFXNML-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC3(C2)CC[N@H+](CCCCC)C3)C1 ZINC001148272931 805172348 /nfs/dbraw/zinc/17/23/48/805172348.db2.gz ZRVRXDVYORZOKK-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)CC[C@H](C)CC)C2)C1 ZINC001148485294 805188238 /nfs/dbraw/zinc/18/82/38/805188238.db2.gz PXAJBSFIYAEJTG-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO CCCCCCCNC(=S)N1CC[N@@H+](CC)CC1(C)C ZINC001249641611 805198791 /nfs/dbraw/zinc/19/87/91/805198791.db2.gz NHHMNDNEHQWZCT-UHFFFAOYSA-N 1 1 299.528 3.247 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(CN(C(=O)c3ccc(C)cc3)C2)C1 ZINC001148666236 805203479 /nfs/dbraw/zinc/20/34/79/805203479.db2.gz LTFMDDAVMFRCTA-UHFFFAOYSA-N 1 1 298.430 3.109 20 30 CGEDMO CCCOC1CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC001249686163 805211325 /nfs/dbraw/zinc/21/13/25/805211325.db2.gz XNZVDHUDGOMOCN-UHFFFAOYSA-N 1 1 276.355 3.088 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]2Cc2ccccn2)c1F ZINC001249685525 805212067 /nfs/dbraw/zinc/21/20/67/805212067.db2.gz LZEZUEABPYJVPE-QGZVFWFLSA-N 1 1 295.361 3.299 20 30 CGEDMO C=CC[N@@H+]1CCC2(CN(C(=O)[C@@H](CCCC)C(C)C)C2)C1 ZINC001148851938 805213602 /nfs/dbraw/zinc/21/36/02/805213602.db2.gz WHCGGGGCNDDALI-INIZCTEOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)CCC ZINC001152320595 805344013 /nfs/dbraw/zinc/34/40/13/805344013.db2.gz UQNYCWDLNPPDKK-LSDHHAIUSA-N 1 1 268.445 3.215 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(OC(F)(F)F)c(OC)c1 ZINC001249991860 805350248 /nfs/dbraw/zinc/35/02/48/805350248.db2.gz OEKZLLQWQQWTJI-UHFFFAOYSA-N 1 1 275.270 3.212 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)c1oc(C)cc1C ZINC001152641368 805358837 /nfs/dbraw/zinc/35/88/37/805358837.db2.gz IMGPTJVSQDPCEJ-CQSZACIVSA-N 1 1 292.423 3.303 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)C1=CCCCCC1 ZINC001152940331 805374961 /nfs/dbraw/zinc/37/49/61/805374961.db2.gz ROYXWLDOAASHMM-OAHLLOKOSA-N 1 1 278.440 3.280 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)C(C)(C)C ZINC001154025634 805427442 /nfs/dbraw/zinc/42/74/42/805427442.db2.gz IIIHSSTVWDKRBE-HUUCEWRRSA-N 1 1 282.472 3.461 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)C1(F)CCCC1 ZINC001154102617 805433873 /nfs/dbraw/zinc/43/38/73/805433873.db2.gz DWTUBKVTENJCCI-CQSZACIVSA-N 1 1 284.419 3.062 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1c(C)[nH]c2ccccc21 ZINC001154242323 805443620 /nfs/dbraw/zinc/44/36/20/805443620.db2.gz IFHOJWYWRXQXLP-CYBMUJFWSA-N 1 1 299.418 3.103 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C1(C2CC2)CCC1 ZINC001154500773 805460815 /nfs/dbraw/zinc/46/08/15/805460815.db2.gz JOIPGTSJJWOXHO-CYBMUJFWSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C1(C2CC2)CCC1 ZINC001154500773 805460818 /nfs/dbraw/zinc/46/08/18/805460818.db2.gz JOIPGTSJJWOXHO-CYBMUJFWSA-N 1 1 298.858 3.146 20 30 CGEDMO C#CCCCCCC(=O)NC[C@@H](C)[N@@H+](CC)CCCC=C ZINC001154609527 805467207 /nfs/dbraw/zinc/46/72/07/805467207.db2.gz LBRTVRSIEWVDNZ-QGZVFWFLSA-N 1 1 292.467 3.363 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)CCCC1CC1 ZINC001154742430 805481740 /nfs/dbraw/zinc/48/17/40/805481740.db2.gz GNAGENBVILLEOL-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(C)c(Cl)c1 ZINC001154999068 805521332 /nfs/dbraw/zinc/52/13/32/805521332.db2.gz BATOADCPUBIEKJ-CYBMUJFWSA-N 1 1 294.826 3.275 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1c(C)cccc1Cl ZINC001155011226 805522547 /nfs/dbraw/zinc/52/25/47/805522547.db2.gz IOALRBXRCKTMHW-CYBMUJFWSA-N 1 1 294.826 3.275 20 30 CGEDMO C[N@H+]1CCC[C@H](CCNc2ncc(C#N)c3ccccc32)C1 ZINC001165261102 806981964 /nfs/dbraw/zinc/98/19/64/806981964.db2.gz NLAMZPXFJBUSEF-CQSZACIVSA-N 1 1 294.402 3.250 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H](C)[N@@H+](CC)CC(=C)C)CCC1 ZINC001155061826 805531444 /nfs/dbraw/zinc/53/14/44/805531444.db2.gz KFZZKKLCOBESLG-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)c1ccc(NCC[C@H]2CCC[N@H+](C)C2)nc1 ZINC001165272319 806983992 /nfs/dbraw/zinc/98/39/92/806983992.db2.gz HAGONZRXRVSLCF-CQSZACIVSA-N 1 1 259.397 3.259 20 30 CGEDMO CC1(C)C[N@H+](C2CCC(C#N)CC2)CCC1(F)F ZINC001256963005 807017744 /nfs/dbraw/zinc/01/77/44/807017744.db2.gz ATMTYAMEKZDGFB-UHFFFAOYSA-N 1 1 256.340 3.436 20 30 CGEDMO N#CC1CCC([N@H+]2CCC[C@H](Oc3ccncc3)C2)CC1 ZINC001256970765 807020299 /nfs/dbraw/zinc/02/02/99/807020299.db2.gz DZIJZPOQQDOWSY-DQPZFDDXSA-N 1 1 285.391 3.007 20 30 CGEDMO C=C[C@H]1C[C@]1([NH2+]C(CCC)CCC)C(=O)OCC ZINC001257330412 807111774 /nfs/dbraw/zinc/11/17/74/807111774.db2.gz MESVXXFMXZQEJD-SWLSCSKDSA-N 1 1 253.386 3.053 20 30 CGEDMO N#Cc1cccc([C@@H](O)C[N@H+]2CCC[C@@H]2c2ccsc2)c1 ZINC001167023871 807131215 /nfs/dbraw/zinc/13/12/15/807131215.db2.gz MGZKZSDNWAJMRG-SJORKVTESA-N 1 1 298.411 3.490 20 30 CGEDMO CCC#C[C@@H](C)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001167518721 807202717 /nfs/dbraw/zinc/20/27/17/807202717.db2.gz ZJNFEHDEPYARSF-MSOLQXFVSA-N 1 1 284.447 3.385 20 30 CGEDMO CCC#C[C@@H](C)[N@@H+]1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC001167518721 807202721 /nfs/dbraw/zinc/20/27/21/807202721.db2.gz ZJNFEHDEPYARSF-MSOLQXFVSA-N 1 1 284.447 3.385 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC001167518721 807202724 /nfs/dbraw/zinc/20/27/24/807202724.db2.gz ZJNFEHDEPYARSF-MSOLQXFVSA-N 1 1 284.447 3.385 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCC[C@@](F)(CO)CC3)C[C@H](C1)C2 ZINC001257891255 807240974 /nfs/dbraw/zinc/24/09/74/807240974.db2.gz GJQBYAQGLGCRPK-WFVVYAPDSA-N 1 1 281.415 3.308 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCCC[C@](C)(O)C3)C[C@H](C1)C2 ZINC001257890940 807241035 /nfs/dbraw/zinc/24/10/35/807241035.db2.gz CFAMTJHLHNWRPO-WFVVYAPDSA-N 1 1 263.425 3.358 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3C[C@@H]4OCC(F)(F)[C@@H]4C3)C[C@H](C1)C2 ZINC001257890961 807241301 /nfs/dbraw/zinc/24/13/01/807241301.db2.gz CNOFBCZIEUWYHJ-WQGXVZNYSA-N 1 1 283.362 3.087 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CCO[C@@H](C(C)C)C3)C[C@H](C1)C2 ZINC001257894941 807245492 /nfs/dbraw/zinc/24/54/92/807245492.db2.gz DSBQPYNWQGWMME-FCLJQHQZSA-N 1 1 263.425 3.478 20 30 CGEDMO Cc1[nH+]c(N)ccc1CNc1ccccc1CS ZINC001167786325 807250434 /nfs/dbraw/zinc/25/04/34/807250434.db2.gz BOPXCUBRWCFRBJ-UHFFFAOYSA-N 1 1 259.378 3.014 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CCC[C@]2(CCNC2=O)C1 ZINC001258043291 807274130 /nfs/dbraw/zinc/27/41/30/807274130.db2.gz AZZRQYISLWXJCQ-RDJZCZTQSA-N 1 1 280.456 3.338 20 30 CGEDMO CCCCCCC[C@@H](C)N1CC[NH+](CCCOC)CC1 ZINC001258049751 807275267 /nfs/dbraw/zinc/27/52/67/807275267.db2.gz OCWLICWKXWRSML-QGZVFWFLSA-N 1 1 284.488 3.390 20 30 CGEDMO CCCCCCC[C@H](C)[N@@H+](C)CCC(=O)N(C)C ZINC001258050487 807276476 /nfs/dbraw/zinc/27/64/76/807276476.db2.gz VWRQSIFZEHTYDZ-AWEZNQCLSA-N 1 1 256.434 3.146 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1Cc2ccnn2CC[C@@H]1CO ZINC001258050757 807277029 /nfs/dbraw/zinc/27/70/29/807277029.db2.gz XTYRYBZKFVRRLR-DOTOQJQBSA-N 1 1 293.455 3.199 20 30 CGEDMO CCCCCCC[C@@H](C)[N@@H+](C)CCC(=O)N(C)C ZINC001258050488 807277382 /nfs/dbraw/zinc/27/73/82/807277382.db2.gz VWRQSIFZEHTYDZ-CQSZACIVSA-N 1 1 256.434 3.146 20 30 CGEDMO C=CCOC(=O)[C@@H](Nc1ccc2[nH]c[nH+]c2c1)[C@@H](C)CC ZINC001167957813 807284381 /nfs/dbraw/zinc/28/43/81/807284381.db2.gz RBYJFBMVUKCWBD-NHYWBVRUSA-N 1 1 287.363 3.119 20 30 CGEDMO N#C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccccc1 ZINC001167958524 807286302 /nfs/dbraw/zinc/28/63/02/807286302.db2.gz GRRUQAWROFLNSH-XVLXNVKGSA-N 1 1 295.430 3.246 20 30 CGEDMO N#C[C@@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167994435 807292564 /nfs/dbraw/zinc/29/25/64/807292564.db2.gz DAUKKYDYVKHXAU-NAZJXLNTSA-N 1 1 287.451 3.017 20 30 CGEDMO N#C[C@@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167994435 807292569 /nfs/dbraw/zinc/29/25/69/807292569.db2.gz DAUKKYDYVKHXAU-NAZJXLNTSA-N 1 1 287.451 3.017 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(N[C@H]2C[C@@H](CO)C2)cc1 ZINC001168245682 807364410 /nfs/dbraw/zinc/36/44/10/807364410.db2.gz CBPNSDPCXDPSQJ-QGTPRVQTSA-N 1 1 286.419 3.192 20 30 CGEDMO COc1ccc2c(c1)C[C@H]([N@@H+](CCC#N)C1CCCC1)C2 ZINC001168271058 807368907 /nfs/dbraw/zinc/36/89/07/807368907.db2.gz BYZGDZUCRMMULE-QGZVFWFLSA-N 1 1 284.403 3.321 20 30 CGEDMO COC[C@@H](C[N@@H+](Cc1ccc(C#N)cc1)C1CC1)C(C)C ZINC001168414829 807409313 /nfs/dbraw/zinc/40/93/13/807409313.db2.gz UMAWVNQMWZKBIG-QGZVFWFLSA-N 1 1 286.419 3.441 20 30 CGEDMO COc1ccc(CC[C@@H](C)[N@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC001258405673 807441915 /nfs/dbraw/zinc/44/19/15/807441915.db2.gz IWIMGDUNPWJTID-PBHICJAKSA-N 1 1 272.392 3.252 20 30 CGEDMO CC[N@@H+](CCC#N)[C@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168655665 807469121 /nfs/dbraw/zinc/46/91/21/807469121.db2.gz ZULMRAPNFVXAJU-RDJZCZTQSA-N 1 1 288.391 3.151 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC001258562447 807492194 /nfs/dbraw/zinc/49/21/94/807492194.db2.gz JBTBFEYYMPHKNI-ZDUSSCGKSA-N 1 1 282.428 3.282 20 30 CGEDMO C[C@H](Cc1cccnc1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001258632108 807517843 /nfs/dbraw/zinc/51/78/43/807517843.db2.gz UCANPOKUBVODAM-CQSZACIVSA-N 1 1 265.360 3.016 20 30 CGEDMO C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037799 807557374 /nfs/dbraw/zinc/55/73/74/807557374.db2.gz UHOCJAIJXQEIEF-QILLFSRXSA-N 1 1 298.386 3.055 20 30 CGEDMO C=CCC[C@H](C)N1CCC([NH3+])(c2ccccc2F)CC1 ZINC001258722353 807569785 /nfs/dbraw/zinc/56/97/85/807569785.db2.gz GVJMJFQOSZBHHS-AWEZNQCLSA-N 1 1 276.399 3.430 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001258724628 807572201 /nfs/dbraw/zinc/57/22/01/807572201.db2.gz BIDVMXWGIRYCKW-AWEZNQCLSA-N 1 1 294.439 3.284 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC001258724862 807573302 /nfs/dbraw/zinc/57/33/02/807573302.db2.gz FJUKDGSDKFGXEG-RYUDHWBXSA-N 1 1 265.319 3.120 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001258724730 807573523 /nfs/dbraw/zinc/57/35/23/807573523.db2.gz DHQADRWOXZOLHO-SOUVJXGZSA-N 1 1 294.439 3.140 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)CCc1noc(C(C)C)n1 ZINC001258726915 807574502 /nfs/dbraw/zinc/57/45/02/807574502.db2.gz YPDCZOAYXSSFID-GFCCVEGCSA-N 1 1 251.374 3.022 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CCC[C@]2(CCC(=O)N2C)[C@@H]1CC ZINC001258728099 807574713 /nfs/dbraw/zinc/57/47/13/807574713.db2.gz LFNQVJXQSYTJST-VYDXJSESSA-N 1 1 278.440 3.207 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@]2(CCC(=O)N2CC=C)CC1 ZINC001258728602 807574959 /nfs/dbraw/zinc/57/49/59/807574959.db2.gz PIUNQQQBFPNHHZ-AEFFLSMTSA-N 1 1 290.451 3.374 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]2O[C@@H](COCC3CC3)CC[C@H]21 ZINC001258727879 807575139 /nfs/dbraw/zinc/57/51/39/807575139.db2.gz JCPICMGLBGVRTQ-DZOHQFGASA-N 1 1 293.451 3.390 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001258728804 807576734 /nfs/dbraw/zinc/57/67/34/807576734.db2.gz QKTZYFWICGQIMD-RBSFLKMASA-N 1 1 294.439 3.282 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@]2(C[C@H](OCC=C)CO2)C1 ZINC001258730363 807577461 /nfs/dbraw/zinc/57/74/61/807577461.db2.gz FVWJYJGFXGKHKW-YESZJQIVSA-N 1 1 279.424 3.167 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)Cc1cccc(OC)c1OC ZINC001258732486 807577468 /nfs/dbraw/zinc/57/74/68/807577468.db2.gz MDCAKCWSVSHMJB-CYBMUJFWSA-N 1 1 263.381 3.490 20 30 CGEDMO C=CCC[C@@H](C)[NH+]1CC(Oc2ccc(F)c(F)c2)C1 ZINC001258735617 807580964 /nfs/dbraw/zinc/58/09/64/807580964.db2.gz XXPAKEAPHDQVPJ-LLVKDONJSA-N 1 1 267.319 3.383 20 30 CGEDMO C=CCC[N@H+](C)CCC1(C(=O)OC(C)(C)C)CCC1 ZINC001169353237 807629422 /nfs/dbraw/zinc/62/94/22/807629422.db2.gz MHISSQRCLGNGOA-UHFFFAOYSA-N 1 1 267.413 3.396 20 30 CGEDMO C=CCN(C)CC[N@@H+](CC)CCCc1ccccc1C ZINC001169832942 807713583 /nfs/dbraw/zinc/71/35/83/807713583.db2.gz JCCOHRTWQTXGGH-UHFFFAOYSA-N 1 1 274.452 3.367 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2nc3c(s2)C[C@H](C)CC3)C1 ZINC001261560594 807757812 /nfs/dbraw/zinc/75/78/12/807757812.db2.gz VLLMCGQVILUWSS-OLZOCXBDSA-N 1 1 274.433 3.113 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2nc3c(s2)C[C@H](C)CC3)C1 ZINC001261560594 807757818 /nfs/dbraw/zinc/75/78/18/807757818.db2.gz VLLMCGQVILUWSS-OLZOCXBDSA-N 1 1 274.433 3.113 20 30 CGEDMO C[N@H+]1CC[C@H](c2ccc(NCC(C)(C)S)cc2)C1 ZINC001170309082 807825075 /nfs/dbraw/zinc/82/50/75/807825075.db2.gz MOOXBYNNBUKDDN-ZDUSSCGKSA-N 1 1 264.438 3.226 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@H](CC)Cc1ccc2c(c1)OCO2 ZINC001170446114 807844933 /nfs/dbraw/zinc/84/49/33/807844933.db2.gz ZPHHZQCJSGRGAT-OAHLLOKOSA-N 1 1 288.391 3.362 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1C[C@]1(C)Br ZINC001262355454 807852462 /nfs/dbraw/zinc/85/24/62/807852462.db2.gz VHRPSFVZCLJHJR-KBPBESRZSA-N 1 1 293.208 3.164 20 30 CGEDMO CC(C)C[N@H+](Cc1ccccn1)C[C@@H](C)CCC#N ZINC001262375927 807862364 /nfs/dbraw/zinc/86/23/64/807862364.db2.gz ZVDTZYWNLOEIKR-HNNXBMFYSA-N 1 1 259.397 3.479 20 30 CGEDMO C=C(CC)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001263731553 807998930 /nfs/dbraw/zinc/99/89/30/807998930.db2.gz IPXFLAWFJGWGTK-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC1(C(=O)N(C)C[C@H]2CC[N@H+]2CC=C(C)C)CCC1 ZINC001263809516 808006876 /nfs/dbraw/zinc/00/68/76/808006876.db2.gz MPMQAHTYIOHVMF-MRXNPFEDSA-N 1 1 290.451 3.232 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1cccnc1 ZINC001171204035 808008649 /nfs/dbraw/zinc/00/86/49/808008649.db2.gz RJIVPCQFQQAALJ-AWEZNQCLSA-N 1 1 265.360 3.016 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC001171221232 808010672 /nfs/dbraw/zinc/01/06/72/808010672.db2.gz JHNGTTMPWTXLMX-DNVCBOLYSA-N 1 1 291.398 3.374 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H]1c1cnccn1 ZINC001171220854 808010683 /nfs/dbraw/zinc/01/06/83/808010683.db2.gz FADMIOYHVGLFLL-KBXCAEBGSA-N 1 1 292.386 3.116 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@H](c2ccccn2)C1 ZINC001171221295 808011231 /nfs/dbraw/zinc/01/12/31/808011231.db2.gz KEKDTUOLMUTECS-QAPCUYQASA-N 1 1 291.398 3.374 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H](C(F)F)C1 ZINC001171224334 808012833 /nfs/dbraw/zinc/01/28/33/808012833.db2.gz QOCPCVNEBJPTIR-SWLSCSKDSA-N 1 1 278.346 3.466 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCc2cccc(O)c2C1 ZINC001171230236 808014331 /nfs/dbraw/zinc/01/43/31/808014331.db2.gz UFCSRAMRHYXGGA-AWEZNQCLSA-N 1 1 292.382 3.253 20 30 CGEDMO C=CCCC(=O)N[C@@H]1[C@H]2CCC[N@H+](CC(C)C)[C@@H]2C1(C)C ZINC001264030222 808029112 /nfs/dbraw/zinc/02/91/12/808029112.db2.gz PHUDYROMYYWONU-OIISXLGYSA-N 1 1 292.467 3.214 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@@H]1CCc2c(F)cccc2C1 ZINC001171434974 808057010 /nfs/dbraw/zinc/05/70/10/808057010.db2.gz VSWQOZWLHRNFHK-CQSZACIVSA-N 1 1 260.356 3.309 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)CCCC)C[C@@H]2C1 ZINC001264638927 808081104 /nfs/dbraw/zinc/08/11/04/808081104.db2.gz RSMDBNFXQLQEDH-ZACQAIPSSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)[C@@H]1C ZINC001264703354 808086007 /nfs/dbraw/zinc/08/60/07/808086007.db2.gz YCHGDGKJRYSKHU-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C(C)C)CC(C)(C)C1 ZINC001264753200 808090960 /nfs/dbraw/zinc/09/09/60/808090960.db2.gz CZIYVTFQNRRKGQ-GJZGRUSLSA-N 1 1 280.456 3.071 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)CC)CC(C)(C)C1 ZINC001264752352 808092209 /nfs/dbraw/zinc/09/22/09/808092209.db2.gz ZDRVSAMPNWUNQQ-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO Cc1cccc2c1CC[C@@H]([N@H+]1CCC3SC(=O)C=C3C1)C2 ZINC001171567903 808098477 /nfs/dbraw/zinc/09/84/77/808098477.db2.gz WPTSNHXPXMGFSL-NVXWUHKLSA-N 1 1 299.439 3.126 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CCC)CC(C)C)C1 ZINC001265235089 808122338 /nfs/dbraw/zinc/12/23/38/808122338.db2.gz IFCDBQWDLSMKEF-IRXDYDNUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@](C)(CC)CCCCC)C1 ZINC001265319261 808129745 /nfs/dbraw/zinc/12/97/45/808129745.db2.gz KLKQJGBPMKPHGR-RDJZCZTQSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)CC(C)C)C1 ZINC001265309991 808130461 /nfs/dbraw/zinc/13/04/61/808130461.db2.gz FIVVLWRDIBNVHR-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC001265384739 808136956 /nfs/dbraw/zinc/13/69/56/808136956.db2.gz OFTMZAAXWPBBKX-CQSZACIVSA-N 1 1 292.448 3.108 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)CC2(C)CC2)C1 ZINC001265392858 808138866 /nfs/dbraw/zinc/13/88/66/808138866.db2.gz NCTHCZDJLAMXNO-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](CCC)C(C)C)C1 ZINC001265396428 808139638 /nfs/dbraw/zinc/13/96/38/808139638.db2.gz DBWKYXYRSLQSRO-DLBZAZTESA-N 1 1 294.483 3.415 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)/C=C(/C)CC)C1 ZINC001265523616 808151250 /nfs/dbraw/zinc/15/12/50/808151250.db2.gz NIPHSSUDRSGZLB-CZAONCGOSA-N 1 1 290.451 3.232 20 30 CGEDMO CC(C)(C)OC(=O)C1CCC([N@H+]2CC[C@@](C)(C#N)C2)CC1 ZINC001171933658 808156259 /nfs/dbraw/zinc/15/62/59/808156259.db2.gz ZSBNYMBBQZAGPY-KVULBXGLSA-N 1 1 292.423 3.122 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1CCC[N@H+](CCC(C)C)C1 ZINC001265583902 808157348 /nfs/dbraw/zinc/15/73/48/808157348.db2.gz BFEFGIHPPOSQFV-INIZCTEOSA-N 1 1 294.483 3.463 20 30 CGEDMO CC#CCCCC(=O)NC[C@@H]1CCC[N@H+](C[C@H](C)CC)C1 ZINC001265588676 808158536 /nfs/dbraw/zinc/15/85/36/808158536.db2.gz HOGXZFWXLRIAFI-SJORKVTESA-N 1 1 292.467 3.054 20 30 CGEDMO C=CC[NH2+][C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171982348 808165136 /nfs/dbraw/zinc/16/51/36/808165136.db2.gz HOCGTDQNWHPCPP-INIZCTEOSA-N 1 1 258.409 3.205 20 30 CGEDMO C=CCCCC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C/C=C\Cl)C1 ZINC001265705961 808171862 /nfs/dbraw/zinc/17/18/62/808171862.db2.gz PDRMTZRAFSDBOG-FZXWVIKQSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)C2CC2)C1 ZINC001265706071 808172433 /nfs/dbraw/zinc/17/24/33/808172433.db2.gz QLSPACNJXJOZSY-CABCVRRESA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CCC(=C)C)C1 ZINC001265705698 808172469 /nfs/dbraw/zinc/17/24/69/808172469.db2.gz MBQAKTSYIJQLGF-JKSUJKDBSA-N 1 1 292.467 3.382 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)CCc1ccncc1 ZINC001172305145 808221691 /nfs/dbraw/zinc/22/16/91/808221691.db2.gz BXMIPQSRQYYWAZ-HNNXBMFYSA-N 1 1 279.387 3.059 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCn2cccc2[C@@H]1C ZINC001172311116 808222736 /nfs/dbraw/zinc/22/27/36/808222736.db2.gz PCRSDWPUEUSPEJ-GJZGRUSLSA-N 1 1 279.387 3.368 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCn2cccc2[C@@H]1C ZINC001172311116 808222742 /nfs/dbraw/zinc/22/27/42/808222742.db2.gz PCRSDWPUEUSPEJ-GJZGRUSLSA-N 1 1 279.387 3.368 20 30 CGEDMO CO[C@H]1CCC[C@@H]2C[N@H+]([C@H](C)Cc3ccc(C#N)cc3)C[C@@H]21 ZINC001172309880 808222917 /nfs/dbraw/zinc/22/29/17/808222917.db2.gz VXVJVSLXXCRIPK-OAOYMFHYSA-N 1 1 298.430 3.236 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@](C)(F)C1 ZINC001172314265 808224714 /nfs/dbraw/zinc/22/47/14/808224714.db2.gz IIIGKJGCCKYNBT-CZUORRHYSA-N 1 1 260.356 3.313 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H](F)CC1 ZINC001172316739 808226452 /nfs/dbraw/zinc/22/64/52/808226452.db2.gz WQUOISRDTVWEST-CZUORRHYSA-N 1 1 260.356 3.313 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)CC1CC(F)(F)C1 ZINC001172318312 808227864 /nfs/dbraw/zinc/22/78/64/808227864.db2.gz DVKSSDMKTRHFHR-LBPRGKRZSA-N 1 1 278.346 3.466 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H](C(F)F)C1 ZINC001172319048 808228445 /nfs/dbraw/zinc/22/84/45/808228445.db2.gz KMQVMCHEUQXHHA-WFASDCNBSA-N 1 1 278.346 3.466 20 30 CGEDMO C#CCCCCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)CCC=C)C1 ZINC001266215821 808228398 /nfs/dbraw/zinc/22/83/98/808228398.db2.gz NPKGRTPQJDLAGX-DLBZAZTESA-N 1 1 290.451 3.115 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC)CCC)C1 ZINC001266243192 808231244 /nfs/dbraw/zinc/23/12/44/808231244.db2.gz OTUKLWFAFNSCLJ-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCOC(=O)[C@@H]([NH2+][C@H](C)CCO[C@H](C)CC)[C@@H](C)CC ZINC001172323831 808232983 /nfs/dbraw/zinc/23/29/83/808232983.db2.gz FANCVFBGWRIMOD-JJXSEGSLSA-N 1 1 299.455 3.314 20 30 CGEDMO C=CC[N@@H+](C)CCNC(=O)c1ccc(C2CCCC2)cc1 ZINC001266298290 808237928 /nfs/dbraw/zinc/23/79/28/808237928.db2.gz GEGZGDHYEYJYJH-UHFFFAOYSA-N 1 1 286.419 3.192 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C(CC)CC)C1 ZINC001266327198 808242609 /nfs/dbraw/zinc/24/26/09/808242609.db2.gz APTOLWVCNIGGTJ-HOCLYGCPSA-N 1 1 280.456 3.215 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](NC(=O)C2(F)CCCC2)C1 ZINC001266327891 808243019 /nfs/dbraw/zinc/24/30/19/808243019.db2.gz NUXXCEZBOKNUEP-OAHLLOKOSA-N 1 1 298.446 3.430 20 30 CGEDMO C=C1CC(C)(C(=O)NCC[N@@H+](C)CCCC2CCCC2)C1 ZINC001266323637 808243654 /nfs/dbraw/zinc/24/36/54/808243654.db2.gz JAJWBSAKNJFZRP-UHFFFAOYSA-N 1 1 292.467 3.361 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC001172355259 808250937 /nfs/dbraw/zinc/25/09/37/808250937.db2.gz NJOVJFLGSQVUMD-MJBXVCDLSA-N 1 1 272.408 3.023 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CCO[C@H](CC(=O)OC)C1 ZINC001172354780 808251155 /nfs/dbraw/zinc/25/11/55/808251155.db2.gz KREYXPNDSWLXPN-HZPDHXFCSA-N 1 1 299.455 3.389 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CCCC[C@H]1C(N)=O ZINC001172355456 808251535 /nfs/dbraw/zinc/25/15/35/808251535.db2.gz OUAXWKRWSGEFGS-GJZGRUSLSA-N 1 1 268.445 3.465 20 30 CGEDMO CCCCCCC[C@@H](CC)[NH2+]CCCN(C)CCO ZINC001172359485 808253928 /nfs/dbraw/zinc/25/39/28/808253928.db2.gz WWIYTXXDDRULFC-MRXNPFEDSA-N 1 1 272.477 3.029 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CCC[C@H]1C(N)=O ZINC001172359040 808253398 /nfs/dbraw/zinc/25/33/98/808253398.db2.gz SVWLBBKDOJQVMM-KBPBESRZSA-N 1 1 254.418 3.075 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@@H+]1CCn2ncnc2C1 ZINC001172358528 808253847 /nfs/dbraw/zinc/25/38/47/808253847.db2.gz PWOBXBKCYUFTTI-CQSZACIVSA-N 1 1 264.417 3.233 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CCn2ncnc2C1 ZINC001172358528 808253853 /nfs/dbraw/zinc/25/38/53/808253853.db2.gz PWOBXBKCYUFTTI-CQSZACIVSA-N 1 1 264.417 3.233 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CCCO[C@@H](C(=O)OC)C1 ZINC001172360033 808254702 /nfs/dbraw/zinc/25/47/02/808254702.db2.gz HWWSGDAETHFNAF-JKSUJKDBSA-N 1 1 299.455 3.389 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C ZINC001266400306 808258013 /nfs/dbraw/zinc/25/80/13/808258013.db2.gz HIFCOEHVMZXNBV-HOTGVXAUSA-N 1 1 292.467 3.239 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)c1sccc1C1CC1 ZINC001266434477 808264554 /nfs/dbraw/zinc/26/45/54/808264554.db2.gz AFSJZCUVBRMOLB-UHFFFAOYSA-N 1 1 292.448 3.253 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H](C)CC(C)C ZINC001266488633 808275100 /nfs/dbraw/zinc/27/51/00/808275100.db2.gz MSQHZADNIADDJT-HZPDHXFCSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CCNC(=O)C1CCCC1)C1CC1 ZINC001266579340 808290700 /nfs/dbraw/zinc/29/07/00/808290700.db2.gz OKOCRBNNVSRNQG-CQSZACIVSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)[C@H](C)c1cccs1)C1CC1 ZINC001266609458 808294284 /nfs/dbraw/zinc/29/42/84/808294284.db2.gz NYARLWWYCHUHGL-CYBMUJFWSA-N 1 1 292.448 3.008 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC001266652363 808301978 /nfs/dbraw/zinc/30/19/78/808301978.db2.gz YBNDGJPNJYABJU-WZYMTQMTSA-N 1 1 278.440 3.109 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H]1CCCC[N@@H+]1CC[C@H](C)F ZINC001266845401 808323295 /nfs/dbraw/zinc/32/32/95/808323295.db2.gz YADSZPYTCPKPPS-LSDHHAIUSA-N 1 1 284.419 3.062 20 30 CGEDMO CCCCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C#CC(C)C)C1 ZINC001266890096 808330707 /nfs/dbraw/zinc/33/07/07/808330707.db2.gz ISSKQHVXQHVETB-IRXDYDNUSA-N 1 1 292.467 3.053 20 30 CGEDMO C[C@H](CCCC#N)[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001172479682 808343722 /nfs/dbraw/zinc/34/37/22/808343722.db2.gz JKCSQYDMWYAGOR-AEFFLSMTSA-N 1 1 285.435 3.180 20 30 CGEDMO C[C@H](CCCC#N)[N@@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001172497370 808354208 /nfs/dbraw/zinc/35/42/08/808354208.db2.gz BJJJRMRHNGYKRG-IKGGRYGDSA-N 1 1 277.456 3.408 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCCC[C@H]1C[C@@H]1CCCN1C ZINC001172497370 808354219 /nfs/dbraw/zinc/35/42/19/808354219.db2.gz BJJJRMRHNGYKRG-IKGGRYGDSA-N 1 1 277.456 3.408 20 30 CGEDMO CCCCCCCC[C@H](CC)[N@H+]1CCC[C@H]1C(N)=O ZINC001172505667 808360782 /nfs/dbraw/zinc/36/07/82/808360782.db2.gz RLPGAHDPMREWBH-GJZGRUSLSA-N 1 1 268.445 3.465 20 30 CGEDMO C[C@H](CCCC#N)[N@@H+](C)Cc1cccc(F)c1F ZINC001172510227 808365694 /nfs/dbraw/zinc/36/56/94/808365694.db2.gz XTXAVXRBTSJVIE-LLVKDONJSA-N 1 1 252.308 3.479 20 30 CGEDMO CCCCCCC[C@H](CCC)[NH2+]CCCN(C)CCO ZINC001172509243 808367064 /nfs/dbraw/zinc/36/70/64/808367064.db2.gz UQEUKLUXFVJGHY-KRWDZBQOSA-N 1 1 286.504 3.419 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H]1CCCNC(=O)C1CCCC1 ZINC001267157393 808369587 /nfs/dbraw/zinc/36/95/87/808369587.db2.gz DEKAGHAPYQSKNG-HNNXBMFYSA-N 1 1 298.858 3.290 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)C1=CCCCCC1 ZINC001267165921 808370890 /nfs/dbraw/zinc/37/08/90/808370890.db2.gz RGBPKKHMMBUVFF-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)/C(C)=C/CC ZINC001267161453 808370996 /nfs/dbraw/zinc/37/09/96/808370996.db2.gz SFZIKJLGMYZSFJ-WPBGYSLVSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCCC(=O)NCC[N@H+](C)Cc1cccc2ccccc21 ZINC001267187766 808378596 /nfs/dbraw/zinc/37/85/96/808378596.db2.gz BZXCJPHOMOGAFE-UHFFFAOYSA-N 1 1 296.414 3.354 20 30 CGEDMO C=C[C@H](CC)CC(=O)NCC[N@@H+](C)CCC(C)(C)C ZINC001267211476 808380975 /nfs/dbraw/zinc/38/09/75/808380975.db2.gz RAAPNMHBTWPODT-CQSZACIVSA-N 1 1 268.445 3.073 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)CC1CCCCCC1 ZINC001267249989 808395757 /nfs/dbraw/zinc/39/57/57/808395757.db2.gz BBKXRNRCIRSDCU-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CCC[N@@H+]2CCCF)CCCC1 ZINC001267283503 808404814 /nfs/dbraw/zinc/40/48/14/808404814.db2.gz NPRWYUBSPBGSMP-OAHLLOKOSA-N 1 1 296.430 3.063 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H](CNC(=O)c2ccc(C=C)cc2)C1 ZINC001267303923 808408157 /nfs/dbraw/zinc/40/81/57/808408157.db2.gz TXNVFILEHRJURO-QGZVFWFLSA-N 1 1 298.430 3.348 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)C[C@@H](C)CC(C)C)C1 ZINC001267305425 808408931 /nfs/dbraw/zinc/40/89/31/808408931.db2.gz AFCHYGXSKNALNI-HOTGVXAUSA-N 1 1 280.456 3.073 20 30 CGEDMO CCC[N@@H+](CCC#N)C1CC(C)(C)OC(C)(C)C1 ZINC001172658344 808410777 /nfs/dbraw/zinc/41/07/77/808410777.db2.gz OXOKXNYSNRBBNT-UHFFFAOYSA-N 1 1 252.402 3.348 20 30 CGEDMO C=CCC[N@@H+](CCC)CCNC(=O)C=C1CCCCC1 ZINC001267311438 808410813 /nfs/dbraw/zinc/41/08/13/808410813.db2.gz RBZBXCCMKUMIIE-UHFFFAOYSA-N 1 1 278.440 3.281 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)c1ccccc1CC)C1CC1 ZINC001267331462 808416746 /nfs/dbraw/zinc/41/67/46/808416746.db2.gz HTUWUGUPTXRJGJ-UHFFFAOYSA-N 1 1 286.419 3.019 20 30 CGEDMO N#C[C@@H]1CCC[N@H+]([C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172721414 808419546 /nfs/dbraw/zinc/41/95/46/808419546.db2.gz DXADOFDAVGACDR-MLGOLLRUSA-N 1 1 274.795 3.433 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H](F)C(C)C)C1 ZINC001267473217 808431072 /nfs/dbraw/zinc/43/10/72/808431072.db2.gz BFBJWSBNISGZFS-HZPDHXFCSA-N 1 1 298.446 3.260 20 30 CGEDMO CCCC[N@@H+](CCC#N)[C@H](C)CCC(=O)OC(C)C ZINC001172764002 808434282 /nfs/dbraw/zinc/43/42/82/808434282.db2.gz PZKBDTOTFKLOPR-CQSZACIVSA-N 1 1 268.401 3.122 20 30 CGEDMO CC#CC[N@@H+](CCCNC(=O)[C@@]1(C)CCC[C@H]1C)C(C)C ZINC001267507212 808434453 /nfs/dbraw/zinc/43/44/53/808434453.db2.gz HPLSNJFDCTYJOK-AEFFLSMTSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21)C(C)C ZINC001267503843 808435168 /nfs/dbraw/zinc/43/51/68/808435168.db2.gz KQUUXBQQHDPHPK-ZACQAIPSSA-N 1 1 292.467 3.215 20 30 CGEDMO CC#CC[N@@H+](CCCNC(=O)[C@]1(C)CCC[C@@H]1C)C(C)C ZINC001267507213 808435559 /nfs/dbraw/zinc/43/55/59/808435559.db2.gz HPLSNJFDCTYJOK-FUHWJXTLSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H](C)C2CCC2)C1 ZINC001267544863 808444878 /nfs/dbraw/zinc/44/48/78/808444878.db2.gz UXOQPAZTVDDJNH-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@@H]1CCc2ccc(C)cc2C1 ZINC001172832823 808450916 /nfs/dbraw/zinc/45/09/16/808450916.db2.gz YPALNZWHKFAGCS-QGZVFWFLSA-N 1 1 256.393 3.478 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)CC(C)(C)C=C)C1 ZINC001267581961 808451588 /nfs/dbraw/zinc/45/15/88/808451588.db2.gz GMNKPMDWQMAQMF-INIZCTEOSA-N 1 1 292.467 3.335 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC[C@@H](C[N@H+](C)C[C@H](C)CC)C2)C1 ZINC001267587765 808452812 /nfs/dbraw/zinc/45/28/12/808452812.db2.gz CMWVECYAQTVFOZ-ZBFHGGJFSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)C(C)(C)C)C1 ZINC001267583900 808453234 /nfs/dbraw/zinc/45/32/34/808453234.db2.gz ACPMYPCCIKVLTJ-LSDHHAIUSA-N 1 1 280.456 3.025 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@]2(C)CC=CCC2)C1 ZINC001267582785 808453464 /nfs/dbraw/zinc/45/34/64/808453464.db2.gz LFRUSHPRBQCHIY-FUHWJXTLSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CCC)CC(C)C)C1 ZINC001267597653 808454794 /nfs/dbraw/zinc/45/47/94/808454794.db2.gz ZHLPINBLXXMASF-IRXDYDNUSA-N 1 1 294.483 3.415 20 30 CGEDMO C#CCCCC(=O)N1CCC(C[N@H+](C)CCC(C)C)CC1 ZINC001267598422 808455387 /nfs/dbraw/zinc/45/53/87/808455387.db2.gz DAJTZYCAMKQNIF-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CC[N@H+](C)CC1CCN(C(=O)c2sccc2C)CC1 ZINC001267596503 808455815 /nfs/dbraw/zinc/45/58/15/808455815.db2.gz OULYBJANNGEFBH-UHFFFAOYSA-N 1 1 292.448 3.027 20 30 CGEDMO C=CC[NH+]1CCN([C@@H](C)Cc2c(F)cccc2Cl)CC1 ZINC001172852690 808462156 /nfs/dbraw/zinc/46/21/56/808462156.db2.gz HUFHQHIDLGSPKT-ZDUSSCGKSA-N 1 1 296.817 3.214 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)CC)C1 ZINC001267685084 808470817 /nfs/dbraw/zinc/47/08/17/808470817.db2.gz XWKCJFTXQMTSPQ-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001267729221 808478678 /nfs/dbraw/zinc/47/86/78/808478678.db2.gz PLTAQDBFVDFLDV-ZBFHGGJFSA-N 1 1 292.467 3.215 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172922171 808480536 /nfs/dbraw/zinc/48/05/36/808480536.db2.gz WROLDUYYIKYJKI-WMLDXEAASA-N 1 1 298.386 3.187 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)C2(F)CCCC2)C1 ZINC001267766767 808487024 /nfs/dbraw/zinc/48/70/24/808487024.db2.gz DXNHGHHTISGLJN-GJZGRUSLSA-N 1 1 296.430 3.156 20 30 CGEDMO C=CCCC(=O)N(CC)[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001267782111 808491270 /nfs/dbraw/zinc/49/12/70/808491270.db2.gz REDSDFKOIOHFNA-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)/C(C)=C/CC)C1 ZINC001267782193 808492148 /nfs/dbraw/zinc/49/21/48/808492148.db2.gz REXKQLVUWKCDOC-WPBGYSLVSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)/C(C)=C\CC)C1 ZINC001267782113 808492489 /nfs/dbraw/zinc/49/24/89/808492489.db2.gz REXKQLVUWKCDOC-MVMZHWFQSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H](C)C2CCCC2)C1 ZINC001267789694 808493666 /nfs/dbraw/zinc/49/36/66/808493666.db2.gz JZFWJISJMQDCEF-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)/C=C(/C)CC)C1 ZINC001267931506 808516695 /nfs/dbraw/zinc/51/66/95/808516695.db2.gz UNSHWFVNYPTCQS-CZZMSJKLSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CCC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC001268216237 808559747 /nfs/dbraw/zinc/55/97/47/808559747.db2.gz CNRWETIKHKQERL-HOTGVXAUSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCC(=O)N(C)CC[N@H+](C)Cc1ccccc1CC ZINC001268232961 808563661 /nfs/dbraw/zinc/56/36/61/808563661.db2.gz OGQXMMPYJKOEDM-UHFFFAOYSA-N 1 1 288.435 3.105 20 30 CGEDMO C#CCC[N@H+](C)CCN(C)C(=O)[C@@H](CC)CC1CCCC1 ZINC001268252829 808569410 /nfs/dbraw/zinc/56/94/10/808569410.db2.gz DRKWSKGFIFHAIG-KRWDZBQOSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)[C@H]1CCCC[C@@H]1CC ZINC001268254224 808570441 /nfs/dbraw/zinc/57/04/41/808570441.db2.gz MFEQYVFWLSDSMD-HOTGVXAUSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC(C)(C)C(=O)NC1C[NH+]([C@@H](CC)c2ccccc2)C1 ZINC001268438540 808586615 /nfs/dbraw/zinc/58/66/15/808586615.db2.gz UHPWVROSAYEBAN-INIZCTEOSA-N 1 1 286.419 3.150 20 30 CGEDMO C=CCCCCC[NH+]1CC(NC(=O)[C@H]2C[C@]2(C)C(C)C)C1 ZINC001268467470 808591042 /nfs/dbraw/zinc/59/10/42/808591042.db2.gz UQESQGIOABGSPC-SJLPKXTDSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCOC1CCC([N@@H+](CC)Cc2ccccn2)CC1 ZINC001173326747 808612990 /nfs/dbraw/zinc/61/29/90/808612990.db2.gz PGPLXRBNWJNLIC-UHFFFAOYSA-N 1 1 274.408 3.417 20 30 CGEDMO CCOC(=O)[C@@H](CC(C)C)[NH2+]C1CCC(CC#N)CC1 ZINC001173325476 808613304 /nfs/dbraw/zinc/61/33/04/808613304.db2.gz JPPLYOBWCOQYTH-YMAMQOFZSA-N 1 1 280.412 3.026 20 30 CGEDMO N#CCC1CCC([N@H+]2CCCC[C@H]2CN2CCCC2)CC1 ZINC001173335762 808617578 /nfs/dbraw/zinc/61/75/78/808617578.db2.gz XOAMEFRSBXNNER-ABHNRTSZSA-N 1 1 289.467 3.409 20 30 CGEDMO N#CCC1CCC(N2CCCC[C@H]2C[NH+]2CCCC2)CC1 ZINC001173335762 808617583 /nfs/dbraw/zinc/61/75/83/808617583.db2.gz XOAMEFRSBXNNER-ABHNRTSZSA-N 1 1 289.467 3.409 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H](C)C[N@@H+](C)CC1CC(C)(C)C1 ZINC001268733221 808618533 /nfs/dbraw/zinc/61/85/33/808618533.db2.gz ULTOHCVRRHYVER-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C[N@@H+](C[C@H]1Cc2ccccc2O1)C1CCC(CC#N)CC1 ZINC001173338032 808618547 /nfs/dbraw/zinc/61/85/47/808618547.db2.gz FDFJMMGNNYAOCY-BDVYOWHSSA-N 1 1 284.403 3.394 20 30 CGEDMO Cc1ncccc1C[N@H+](C)C1CCC(CC#N)CC1 ZINC001173336968 808618591 /nfs/dbraw/zinc/61/85/91/808618591.db2.gz SWLJGDPKJDBLPL-UHFFFAOYSA-N 1 1 257.381 3.294 20 30 CGEDMO C#Cc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CC/C=C/CC)cc1 ZINC001268741809 808619688 /nfs/dbraw/zinc/61/96/88/808619688.db2.gz YOJSUENYNGCNEK-WAVCKPEOSA-N 1 1 298.430 3.074 20 30 CGEDMO N#CCC1CCC([N@H+]2CCC[C@@H](Oc3ccncc3)C2)CC1 ZINC001173339444 808619677 /nfs/dbraw/zinc/61/96/77/808619677.db2.gz HSWDEBMEHYNONQ-LEOMRAHMSA-N 1 1 299.418 3.397 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C1CC1 ZINC001268935249 808636572 /nfs/dbraw/zinc/63/65/72/808636572.db2.gz QRQNMBFQPFISGZ-PVAVHDDUSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CC2=CCCCC2)C1 ZINC001269113292 808649367 /nfs/dbraw/zinc/64/93/67/808649367.db2.gz RZZOYYJCVNERCF-NVXWUHKLSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)CCCCC(C)C)C1 ZINC001269279717 808663681 /nfs/dbraw/zinc/66/36/81/808663681.db2.gz CFEVBGAPSLGFFI-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CNC(=O)C[C@H](C)CC(C)(C)C ZINC001269311741 808667488 /nfs/dbraw/zinc/66/74/88/808667488.db2.gz VFOCJQJOJIGFOI-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@]1(C)CCC(C)=C(C)C1 ZINC001269351807 808673280 /nfs/dbraw/zinc/67/32/80/808673280.db2.gz RJEDMMYJGLEJSD-SJLPKXTDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)[C@]1(C)CCC(C)=C(C)C1 ZINC001269351807 808673283 /nfs/dbraw/zinc/67/32/83/808673283.db2.gz RJEDMMYJGLEJSD-SJLPKXTDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)/C=C(/C)CC)C1 ZINC001269555639 808688248 /nfs/dbraw/zinc/68/82/48/808688248.db2.gz GSODUWODJUVCIR-CUMWXBBOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[NH+]1CC(N(C)C(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001269875305 808708029 /nfs/dbraw/zinc/70/80/29/808708029.db2.gz JGTASYORCPPRAC-AWEZNQCLSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCCCC)C2 ZINC001270504729 808731987 /nfs/dbraw/zinc/73/19/87/808731987.db2.gz KLVGLMUGXPLFKV-GOSISDBHSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC(C)(C)CC ZINC001272022735 808793053 /nfs/dbraw/zinc/79/30/53/808793053.db2.gz BMAOXXDPVGHOFH-CABCVRRESA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1(CCC)CCC1 ZINC001272031885 808793499 /nfs/dbraw/zinc/79/34/99/808793499.db2.gz AVQOUHFNIQKUCA-CVEARBPZSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)CCC(=O)N(C)CC[N@H+](C)Cc1ccccc1F ZINC001272027689 808793708 /nfs/dbraw/zinc/79/37/08/808793708.db2.gz LYNDCRFEGZSGQJ-UHFFFAOYSA-N 1 1 292.398 3.072 20 30 CGEDMO C=C(C)CCC(=O)N(C)CC[N@@H+](C)Cc1ccccc1F ZINC001272027689 808793710 /nfs/dbraw/zinc/79/37/10/808793710.db2.gz LYNDCRFEGZSGQJ-UHFFFAOYSA-N 1 1 292.398 3.072 20 30 CGEDMO C=CC(C)(C)CC(=O)N(C)CC[N@H+](C)C[C@H](C)CC ZINC001272027964 808794039 /nfs/dbraw/zinc/79/40/39/808794039.db2.gz OMWRTYLWWLBGLF-CQSZACIVSA-N 1 1 268.445 3.025 20 30 CGEDMO C=C1CCC(C(=O)N(C)CC[N@@H+](C)CCCCCF)CC1 ZINC001272097476 808797986 /nfs/dbraw/zinc/79/79/86/808797986.db2.gz AWJGWHCRHVLSEF-UHFFFAOYSA-N 1 1 298.446 3.263 20 30 CGEDMO CCCCCCC[C@H](C)C(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2C ZINC001272293551 808803850 /nfs/dbraw/zinc/80/38/50/808803850.db2.gz IOABPQTYBPPSCG-JYJNAYRXSA-N 1 1 280.456 3.288 20 30 CGEDMO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H](CC)CCCC ZINC001272431071 808808119 /nfs/dbraw/zinc/80/81/19/808808119.db2.gz SVGCUNDRMHNISG-GVDBMIGSSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)CN1CC[C@]2(CCC[N@H+]2CCC(C)(C)C)C1=O ZINC001272496094 808812914 /nfs/dbraw/zinc/81/29/14/808812914.db2.gz UYDPMLDLHFOYNH-QGZVFWFLSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@]2(CCN(CC(C)C)C2=O)C1 ZINC001272699806 808821681 /nfs/dbraw/zinc/82/16/81/808821681.db2.gz OMNDTXKPESCMSJ-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO COc1cc(C#N)cc(Nc2cc[nH+]c3ccccc23)c1 ZINC001174039615 808837858 /nfs/dbraw/zinc/83/78/58/808837858.db2.gz VYYDVLNXNYTFTO-UHFFFAOYSA-N 1 1 275.311 3.281 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1CCC[N@H+](CC(=C)C)CC1 ZINC001273417353 808844053 /nfs/dbraw/zinc/84/40/53/808844053.db2.gz GJTDIHGYQRVTKH-QGZVFWFLSA-N 1 1 290.451 3.302 20 30 CGEDMO C=C(C)CN1CC[C@]2(CCC[N@@H+]2CCCC(C)C)C1=O ZINC001273425127 808845135 /nfs/dbraw/zinc/84/51/35/808845135.db2.gz RELOGTXAAHZPDH-QGZVFWFLSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@]2(CCN([C@@H](C)CC)C2=O)C1 ZINC001273495413 808849146 /nfs/dbraw/zinc/84/91/46/808849146.db2.gz WGZZJUKJHPZDHL-RDJZCZTQSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@@]12CCN([C@@H](C)CC)C2=O ZINC001273495188 808849764 /nfs/dbraw/zinc/84/97/64/808849764.db2.gz PUDDRLJQEPJETM-RDJZCZTQSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@H+](CCC)C1 ZINC001273599048 808856439 /nfs/dbraw/zinc/85/64/39/808856439.db2.gz NEPYICPMKYAPDE-SJORKVTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](F)CC)C2 ZINC001273841044 808862066 /nfs/dbraw/zinc/86/20/66/808862066.db2.gz QNAGNQJCSKTHKB-RDJZCZTQSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)CN1c2ccccc2[C@]2(CC[N@H+]([C@@H](C)CC)C2)C1=O ZINC001273920758 808863649 /nfs/dbraw/zinc/86/36/49/808863649.db2.gz CROWHBHJLFQIMP-HNAYVOBHSA-N 1 1 298.430 3.351 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCC2CCC2)C(C)(C)C1 ZINC001274426854 808875654 /nfs/dbraw/zinc/87/56/54/808875654.db2.gz VZSHKUUKQOBPLQ-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C2CC2)C(C)(C)C1 ZINC001274426146 808876088 /nfs/dbraw/zinc/87/60/88/808876088.db2.gz QXDQKZOOQCHGIL-HOCLYGCPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C=C)CC)C(C)(C)C1 ZINC001274446289 808876262 /nfs/dbraw/zinc/87/62/62/808876262.db2.gz OQRKFBRZOMTUQI-HOTGVXAUSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)/C=C\C(C)(C)C)C(C)(C)C1 ZINC001274425113 808876669 /nfs/dbraw/zinc/87/66/69/808876669.db2.gz JZAQVGXOLWSMGK-WKTRQSJXSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2(CCC)CC2)C[C@H]1C ZINC001274646501 808881348 /nfs/dbraw/zinc/88/13/48/808881348.db2.gz YDDZCULAJCTFIN-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC1(C)C ZINC001275135578 808914208 /nfs/dbraw/zinc/91/42/08/808914208.db2.gz KUYZCDGKOZOPFX-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1C[N@@H+](C)CC(C)C ZINC001275144014 808916138 /nfs/dbraw/zinc/91/61/38/808916138.db2.gz SRMAGFBZGHAOBD-WBVHZDCISA-N 1 1 280.456 3.168 20 30 CGEDMO C#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](C)CCC(C)(C)C ZINC001275159732 808917243 /nfs/dbraw/zinc/91/72/43/808917243.db2.gz GEYAIWKTSYMYAJ-HZPDHXFCSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@H](C)NC(=O)c1cc(C)cs1 ZINC001275552121 808947227 /nfs/dbraw/zinc/94/72/27/808947227.db2.gz OPAGILNOLKUZQS-KBPBESRZSA-N 1 1 294.464 3.461 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)c1ccsc1 ZINC001275647400 808954202 /nfs/dbraw/zinc/95/42/02/808954202.db2.gz AMOLOFRDDLWWOI-ZIAGYGMSSA-N 1 1 294.464 3.254 20 30 CGEDMO N#Cc1ccccc1CN1CC[C@H]2C[N@H+](C3CCCC3)C[C@H]21 ZINC001275968789 808980700 /nfs/dbraw/zinc/98/07/00/808980700.db2.gz MWMCUTKMCJEQFZ-PKOBYXMFSA-N 1 1 295.430 3.007 20 30 CGEDMO CC#CCCCC(=O)N[C@H]1C[N@H+](CCCCC)CC1(C)C ZINC001276601081 809018958 /nfs/dbraw/zinc/01/89/58/809018958.db2.gz LAFLEEMDCQIIGT-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](CC(C)C)CC1(C)C ZINC001276602390 809020201 /nfs/dbraw/zinc/02/02/01/809020201.db2.gz ZJEGQACBMKOYNB-HUUCEWRRSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)[C@@H]1C[C@@H]1C)C1CCCCCC1 ZINC001277369414 809071371 /nfs/dbraw/zinc/07/13/71/809071371.db2.gz YDNQVOVNGNTZOP-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCC([N@H+](C)C(C)C)CC1 ZINC001277404116 809073239 /nfs/dbraw/zinc/07/32/39/809073239.db2.gz QHCCAFGHOXDWCE-UHFFFAOYSA-N 1 1 278.440 3.086 20 30 CGEDMO C=CCCCC(=O)N(C)C[C@H](C)[NH2+]C/C(Cl)=C/Cl ZINC001277923177 809106464 /nfs/dbraw/zinc/10/64/64/809106464.db2.gz WQLGOEMSDOFTAA-LCFDYFRESA-N 1 1 293.238 3.098 20 30 CGEDMO C#CCCCCCC(=O)N[C@@]1(C)CC[N@H+](C[C@H](C)CC)C1 ZINC001278414281 809130752 /nfs/dbraw/zinc/13/07/52/809130752.db2.gz RAKDXLRGUGHFSF-AEFFLSMTSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)CC(C)(C)C)CCC[C@H]12 ZINC001278430859 809132770 /nfs/dbraw/zinc/13/27/70/809132770.db2.gz JZGUTQBWXQXOSL-WMLDXEAASA-N 1 1 278.440 3.112 20 30 CGEDMO C#CCCCCC(=O)N[C@@H]1CCC[N@H+](CCC(C)C)[C@H]1C ZINC001278503893 809138947 /nfs/dbraw/zinc/13/89/47/809138947.db2.gz AKJJDVUFWDYRIB-DLBZAZTESA-N 1 1 292.467 3.195 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C2(CC=C)CCCC2)[C@@H]1C ZINC001278532470 809140678 /nfs/dbraw/zinc/14/06/78/809140678.db2.gz DUOVAEQSRWBKSQ-JKSUJKDBSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC[N@@H+]1CCC[C@](C)(CNC(=O)CC(C)(C)CC)C1 ZINC001278662998 809150251 /nfs/dbraw/zinc/15/02/51/809150251.db2.gz HLOJYVATPYZLAK-QGZVFWFLSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)C2(CCC)CC2)C1 ZINC001278677310 809151714 /nfs/dbraw/zinc/15/17/14/809151714.db2.gz GNOUTIRQLMAJIA-QGZVFWFLSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCCCC(=O)NC[C@]1(C)CCC[N@H+](CC(=C)C)C1 ZINC001278678140 809152024 /nfs/dbraw/zinc/15/20/24/809152024.db2.gz OUJUIWRVIFPDDP-KRWDZBQOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)C[C@@H]1C=CCC1)C(C)C ZINC001278893004 809154079 /nfs/dbraw/zinc/15/40/79/809154079.db2.gz CZTJRUAJQVGJNB-MRXNPFEDSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC(C)C ZINC001279542791 809174748 /nfs/dbraw/zinc/17/47/48/809174748.db2.gz PVSDTYKZVGQVIU-HOTGVXAUSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]2C[N@H+](C[C@H](F)CC)C[C@H]21 ZINC001279624567 809175737 /nfs/dbraw/zinc/17/57/37/809175737.db2.gz MCDGNUMDDMOETK-ARFHVFGLSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1CCC[N@H+](C(C)C)CC1 ZINC001280733997 809196207 /nfs/dbraw/zinc/19/62/07/809196207.db2.gz TVIXXYZVOKMXNS-MRXNPFEDSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCCCC)C2 ZINC001281069788 809206053 /nfs/dbraw/zinc/20/60/53/809206053.db2.gz CVGJPTYJHANPTJ-GOSISDBHSA-N 1 1 292.467 3.457 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CCC2CC2)C(C)(C)C1 ZINC001281541843 809213762 /nfs/dbraw/zinc/21/37/62/809213762.db2.gz RTZXYFNQXMVGFB-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@H+](CC(CC)CC)[C@@H](C)C1 ZINC001281650015 809216280 /nfs/dbraw/zinc/21/62/80/809216280.db2.gz ATPXLSIDQNGWNA-HOCLYGCPSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)/C=C/C(C)(C)C ZINC001281928100 809224058 /nfs/dbraw/zinc/22/40/58/809224058.db2.gz JIIXOPBIWDMUTD-NKSUMMKUSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CC1CCCC1 ZINC001282344344 809242150 /nfs/dbraw/zinc/24/21/50/809242150.db2.gz VPTRZOXOHLDMPF-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)/C=C(/C)CC ZINC001282384385 809244759 /nfs/dbraw/zinc/24/47/59/809244759.db2.gz KMDRWKWAZJCMOJ-QNCSTDJMSA-N 1 1 266.429 3.134 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)c1ccn(C(C)C)c1C ZINC001282450979 809248187 /nfs/dbraw/zinc/24/81/87/809248187.db2.gz QHODZUMBCBGTCM-AWEZNQCLSA-N 1 1 291.439 3.004 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)C ZINC001282485770 809251892 /nfs/dbraw/zinc/25/18/92/809251892.db2.gz MKTNWJNUNZLCLL-AWEZNQCLSA-N 1 1 268.445 3.215 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)CCC(C)C)C(C)(C)C1 ZINC001282786023 809262518 /nfs/dbraw/zinc/26/25/18/809262518.db2.gz DHCOCSPYSHTNKJ-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[N@H+](CC/C=C\CC)CC1(C)C ZINC001282790592 809263655 /nfs/dbraw/zinc/26/36/55/809263655.db2.gz HSZCCEFRKYUKFY-SOIVGHGOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)C[C@H](C)C2CC2)C(C)(C)C1 ZINC001282833154 809264989 /nfs/dbraw/zinc/26/49/89/809264989.db2.gz ILISPENBBLDUEF-HOCLYGCPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)C2CCCCC2)CC1 ZINC001283284055 809274468 /nfs/dbraw/zinc/27/44/68/809274468.db2.gz STZRLWUTCOTPDR-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)[C@](C)(F)CCCC)CC1 ZINC001283317710 809275243 /nfs/dbraw/zinc/27/52/43/809275243.db2.gz RLARAARHGHSSID-MRXNPFEDSA-N 1 1 284.419 3.014 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@]2(NC(=O)CC3CCC3)CCC[C@@H]12 ZINC001284045666 809294014 /nfs/dbraw/zinc/29/40/14/809294014.db2.gz PDWFKGLYKKFYHF-AEFFLSMTSA-N 1 1 290.451 3.256 20 30 CGEDMO C=CCCC(=O)N[C@H]1CCC[N@H+](CCCC(C)C)[C@H]1C ZINC001284122220 809296795 /nfs/dbraw/zinc/29/67/95/809296795.db2.gz RZTAQQWGBGWQGM-HOTGVXAUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2cocc2C)[C@@H]1C ZINC001284132934 809297423 /nfs/dbraw/zinc/29/74/23/809297423.db2.gz YHWOOWJPYYIHFJ-GOEBONIOSA-N 1 1 290.407 3.137 20 30 CGEDMO CC#CCCCC(=O)N[C@@H]1CCC[N@@H+](CC=C(C)C)[C@H]1C ZINC001284129470 809297869 /nfs/dbraw/zinc/29/78/69/809297869.db2.gz IJJONBMUNOHWMF-DLBZAZTESA-N 1 1 290.451 3.115 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)C[C@H]1CC=CCC1)C(C)C ZINC001284544917 809309559 /nfs/dbraw/zinc/30/95/59/809309559.db2.gz LFRMQRZVNMGWRA-KRWDZBQOSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H](CCC)C(C)C)CC1 ZINC001284967796 809321492 /nfs/dbraw/zinc/32/14/92/809321492.db2.gz SPQRTRMIUKGENN-KRWDZBQOSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CC[C@H](C(=O)OC)[NH+]1CCC(c2cccc(F)c2)CC1 ZINC001175890910 809564940 /nfs/dbraw/zinc/56/49/40/809564940.db2.gz YVJNWJRYQQHKOA-MRXNPFEDSA-N 1 1 291.366 3.123 20 30 CGEDMO C#Cc1cccc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)c1 ZINC001175972173 809588101 /nfs/dbraw/zinc/58/81/01/809588101.db2.gz PLVURGGZWOHNPC-UHFFFAOYSA-N 1 1 293.395 3.333 20 30 CGEDMO C#CC[N@H+](Cc1cc(-c2ccc(OC)cc2)no1)C(C)C ZINC001176373653 809682073 /nfs/dbraw/zinc/68/20/73/809682073.db2.gz VZFJKLJODHXMFK-UHFFFAOYSA-N 1 1 284.359 3.194 20 30 CGEDMO C#C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Cl)cc1 ZINC001176833589 809763442 /nfs/dbraw/zinc/76/34/42/809763442.db2.gz YHIYTKBIOHMVQX-HNNXBMFYSA-N 1 1 290.794 3.156 20 30 CGEDMO C#CCCCCCC[N@H+]1C[C@@]23CN(C)C[C@]2(C1)CCCC3 ZINC001177008618 809774540 /nfs/dbraw/zinc/77/45/40/809774540.db2.gz MKKHVGNQOPLOQU-KDURUIRLSA-N 1 1 288.479 3.378 20 30 CGEDMO C#CCCCCCC[N@@H+]1C[C@@]23CN(C)C[C@]2(C1)CCCC3 ZINC001177008618 809774544 /nfs/dbraw/zinc/77/45/44/809774544.db2.gz MKKHVGNQOPLOQU-KDURUIRLSA-N 1 1 288.479 3.378 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001180199749 809983163 /nfs/dbraw/zinc/98/31/63/809983163.db2.gz XIVKUVBJQFTWKI-GOEBONIOSA-N 1 1 261.413 3.202 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2ccn(CC)n2)CCCC1(C)C ZINC001181297056 810046900 /nfs/dbraw/zinc/04/69/00/810046900.db2.gz KOWOLVIAPDFBAU-OAHLLOKOSA-N 1 1 261.413 3.470 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCC(C)C)[C@@H]2C1 ZINC001186784921 810361703 /nfs/dbraw/zinc/36/17/03/810361703.db2.gz FQLUACFXQRMCSQ-YESZJQIVSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CC(C)(C)C)[C@@H]2C1 ZINC001186844278 810363636 /nfs/dbraw/zinc/36/36/36/810363636.db2.gz CHNXHTTVLXAALQ-HRCADAONSA-N 1 1 292.467 3.310 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(F)F)C1 ZINC001188618692 810494109 /nfs/dbraw/zinc/49/41/09/810494109.db2.gz MVUZLSQLWVBLAX-CYBMUJFWSA-N 1 1 290.398 3.145 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC001188674881 810502612 /nfs/dbraw/zinc/50/26/12/810502612.db2.gz HBSSCIZVHDEIDM-WBVHZDCISA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)C=C(C)C)C1 ZINC001188718028 810507753 /nfs/dbraw/zinc/50/77/53/810507753.db2.gz QFWPUHHWHXLGBA-MRXNPFEDSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CCCCC)C1 ZINC001188916422 810522541 /nfs/dbraw/zinc/52/25/41/810522541.db2.gz YIAPAULIJMZECQ-HZPDHXFCSA-N 1 1 280.456 3.454 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)CSCCC)C1 ZINC001189143351 810544738 /nfs/dbraw/zinc/54/47/38/810544738.db2.gz ZRXZMAHZWHIXEO-CABCVRRESA-N 1 1 298.496 3.017 20 30 CGEDMO C=CCCC(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCCC2)C1 ZINC001189279198 810554395 /nfs/dbraw/zinc/55/43/95/810554395.db2.gz HVVFRWXMNKHSME-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC(=O)N1CC[C@@H]([N@@H+](C)CCC2CCCCC2)C1 ZINC001189281058 810554649 /nfs/dbraw/zinc/55/46/49/810554649.db2.gz XBGDVFHGTYGKKZ-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)C(C)C)C1 ZINC001189327511 810558543 /nfs/dbraw/zinc/55/85/43/810558543.db2.gz NKMDSGMNYBNGST-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)CC(C)(C)C)[C@@H]2C1 ZINC001189323981 810558647 /nfs/dbraw/zinc/55/86/47/810558647.db2.gz CVDCBDNQOWDCED-OWCLPIDISA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C(C)=C2CCCC2)C1 ZINC001189604037 810581117 /nfs/dbraw/zinc/58/11/17/810581117.db2.gz PKIJWFZJIDEGMR-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[C@@H]([N@@H+](C)C/C=C/Cl)C1 ZINC001190354654 810621801 /nfs/dbraw/zinc/62/18/01/810621801.db2.gz MPODQMPEPURPEA-WCLQSUPFSA-N 1 1 296.842 3.040 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)CC=C(C)C)C1 ZINC001190354289 810622454 /nfs/dbraw/zinc/62/24/54/810622454.db2.gz HTNHPJYKVIYXLD-AWEZNQCLSA-N 1 1 298.858 3.264 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC001190863881 810654478 /nfs/dbraw/zinc/65/44/78/810654478.db2.gz CKTVRLAUKKITKF-GASCZTMLSA-N 1 1 284.403 3.259 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C23CCC(CC2)C3)C1 ZINC001190949183 810658801 /nfs/dbraw/zinc/65/88/01/810658801.db2.gz YWCPTGHPPFMVCZ-PQUAAJSLSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@](C)(F)CCCC)C1 ZINC001191038744 810666402 /nfs/dbraw/zinc/66/64/02/810666402.db2.gz BQTNPWAPBMZGMS-ZBFHGGJFSA-N 1 1 284.419 3.014 20 30 CGEDMO CCCCCCCCNC(=O)N[C@@]1(C)CCC[N@@H+](C)C1 ZINC001191081298 810672462 /nfs/dbraw/zinc/67/24/62/810672462.db2.gz KVVMJYQBCOUIPG-INIZCTEOSA-N 1 1 283.460 3.130 20 30 CGEDMO CCCCCCCNC(=O)N1CCC([N@@H+](C)C2CC2)CC1 ZINC001191101926 810676396 /nfs/dbraw/zinc/67/63/96/810676396.db2.gz WGODDZGHNSTBLR-UHFFFAOYSA-N 1 1 295.471 3.225 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)C[C@H]1COC2(CCCCC2)O1 ZINC001191134215 810681555 /nfs/dbraw/zinc/68/15/55/810681555.db2.gz WZPYIFVYNWXXCE-HNNXBMFYSA-N 1 1 294.439 3.324 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@H]1COC2(CCCCC2)O1 ZINC001191134215 810681560 /nfs/dbraw/zinc/68/15/60/810681560.db2.gz WZPYIFVYNWXXCE-HNNXBMFYSA-N 1 1 294.439 3.324 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]([N@H+](C)CC(CC)CC)C1 ZINC001191727373 810733001 /nfs/dbraw/zinc/73/30/01/810733001.db2.gz JSVMYWKTEGXUSH-HNNXBMFYSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@@H]([N@H+](C)CCCC(C)C)C1 ZINC001191719409 810733210 /nfs/dbraw/zinc/73/32/10/810733210.db2.gz LTOCNYYXDPUUMT-OAHLLOKOSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CC=CCC2)C1 ZINC001191727442 810733301 /nfs/dbraw/zinc/73/33/01/810733301.db2.gz LZOWLBLFIGGZGG-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO CC#CCCCC(=O)N1CC[C@@H]([N@@H+](C)CCCC(C)C)C1 ZINC001191858922 810752932 /nfs/dbraw/zinc/75/29/32/810752932.db2.gz FMZIOCCKVLJWNI-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)CCC)C1 ZINC001192083560 810768440 /nfs/dbraw/zinc/76/84/40/810768440.db2.gz RWHFADOMOZGNSJ-CYBMUJFWSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)CCC)C1 ZINC001192083560 810768445 /nfs/dbraw/zinc/76/84/45/810768445.db2.gz RWHFADOMOZGNSJ-CYBMUJFWSA-N 1 1 286.847 3.098 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]([N@H+](C)CC/C=C/CC)C1 ZINC001192094777 810770078 /nfs/dbraw/zinc/77/00/78/810770078.db2.gz VZSUQKRPGKUFPJ-BVBGJJFLSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[C@H]([N@H+](C)CC/C=C\CC)C1 ZINC001192163544 810772559 /nfs/dbraw/zinc/77/25/59/810772559.db2.gz XJRDPKJCIDBDBH-FTJRJAGUSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)C[C@@H](F)CC)C2)CCC1 ZINC001192227578 810778852 /nfs/dbraw/zinc/77/88/52/810778852.db2.gz SKWRHCRHABKMGM-LSDHHAIUSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC[C@H]([N@@H+](C)CCC(C)(C)C)C2)C1 ZINC001192257679 810781855 /nfs/dbraw/zinc/78/18/55/810781855.db2.gz PNYZYZMMUIKMEI-HNNXBMFYSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CC[N@@H+](CC1CC1)C[C@H]1CC[C@H](c2ccccc2)O1 ZINC001192305629 810785624 /nfs/dbraw/zinc/78/56/24/810785624.db2.gz YNTVHFKGNCPDLR-QZTJIDSGSA-N 1 1 269.388 3.252 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)CCC=C(C)C)C1 ZINC001192471479 810800464 /nfs/dbraw/zinc/80/04/64/810800464.db2.gz DEPCFZKIUOSRFI-IRXDYDNUSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@H]([N@H+](C)CCCCC)C1 ZINC001192579006 810808038 /nfs/dbraw/zinc/80/80/38/810808038.db2.gz WBXNVFINSVIDDS-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)CC[C@@H](C)CC)C1 ZINC001193025823 810843066 /nfs/dbraw/zinc/84/30/66/810843066.db2.gz GTRZLLXONWJMGA-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](CC)CCC)C1 ZINC001193113265 810858203 /nfs/dbraw/zinc/85/82/03/810858203.db2.gz ZWLIUKWVFGQKNY-KGLIPLIRSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](CC)CCC)C1 ZINC001193113265 810858210 /nfs/dbraw/zinc/85/82/10/810858210.db2.gz ZWLIUKWVFGQKNY-KGLIPLIRSA-N 1 1 286.847 3.098 20 30 CGEDMO CCC#C[C@@H](C)[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC001193198186 810864035 /nfs/dbraw/zinc/86/40/35/810864035.db2.gz GWILHBKVDXRIDO-AEFFLSMTSA-N 1 1 271.404 3.122 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC001193198186 810864039 /nfs/dbraw/zinc/86/40/39/810864039.db2.gz GWILHBKVDXRIDO-AEFFLSMTSA-N 1 1 271.404 3.122 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1C[Si](C)(C)c1ccccc1 ZINC001193942033 810981610 /nfs/dbraw/zinc/98/16/10/810981610.db2.gz KRFCFFXPIPQKRY-HNNXBMFYSA-N 1 1 259.469 3.182 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC001194682101 811106034 /nfs/dbraw/zinc/10/60/34/811106034.db2.gz WTLJCJLSFQNXKF-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCOCC[N@H+]1[C@H](C)C[C@H](c2ccccc2)[C@@H]1C ZINC001194684975 811107635 /nfs/dbraw/zinc/10/76/35/811107635.db2.gz ZILFKUUSXIJMJS-VYDXJSESSA-N 1 1 259.393 3.456 20 30 CGEDMO CCCCCCCCOC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC001194748208 811122264 /nfs/dbraw/zinc/12/22/64/811122264.db2.gz PCISRAYAJXRSBU-HNNXBMFYSA-N 1 1 284.444 3.415 20 30 CGEDMO CCCCCCCCCOC(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC001194919790 811170042 /nfs/dbraw/zinc/17/00/42/811170042.db2.gz JMIFGPWEJYPGME-OAHLLOKOSA-N 1 1 284.444 3.415 20 30 CGEDMO C=CCCCCC[N@H+]1CCCN(C(=O)CCC2CC2)CC1 ZINC001195337444 811244466 /nfs/dbraw/zinc/24/44/66/811244466.db2.gz FVADBNWSYJOEGK-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCN(C(=O)[C@H](C)C2CC2)CC1 ZINC001195426765 811252546 /nfs/dbraw/zinc/25/25/46/811252546.db2.gz NLQZAVBOGOGWRO-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C#CCCCCC(=O)N1CCC[N@H+](CC/C=C\CC)CC1 ZINC001195555687 811267568 /nfs/dbraw/zinc/26/75/68/811267568.db2.gz IETFICDSOGOJLJ-VURMDHGXSA-N 1 1 290.451 3.071 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@@H](C)[C@@H]1CCO ZINC001195938658 811303848 /nfs/dbraw/zinc/30/38/48/811303848.db2.gz QVBYRRWDRFDJMP-ACJLOTCBSA-N 1 1 286.419 3.158 20 30 CGEDMO C=CCCCCC[N@H+]1CC2(CCC2)[C@](F)(C(=O)OCC)C1 ZINC001196022793 811311747 /nfs/dbraw/zinc/31/17/47/811311747.db2.gz LPADPHKYOGMHCG-QGZVFWFLSA-N 1 1 297.414 3.490 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCN(C(=O)[C@H](F)C(C)C)CC1 ZINC001196790912 811366845 /nfs/dbraw/zinc/36/68/45/811366845.db2.gz QKZDKVHJGBIFMM-MRXNPFEDSA-N 1 1 298.446 3.261 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C/C=C(\C)C=C)CC1 ZINC001196822863 811371049 /nfs/dbraw/zinc/37/10/49/811371049.db2.gz DPHRQKOPFNHMAM-KGZWWPETSA-N 1 1 290.451 3.398 20 30 CGEDMO CC#CCCCC(=O)N1CCC[N@H+](CC(CC)CC)CC1 ZINC001196839081 811373178 /nfs/dbraw/zinc/37/31/78/811373178.db2.gz QMSUDERULHIUEC-UHFFFAOYSA-N 1 1 292.467 3.151 20 30 CGEDMO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@H+](CCC(C)C)CC1 ZINC001196829711 811373576 /nfs/dbraw/zinc/37/35/76/811373576.db2.gz HSDMRFFYZLYECN-HOTGVXAUSA-N 1 1 280.456 3.025 20 30 CGEDMO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@H+](CC/C=C/CC)CC1 ZINC001196854816 811374710 /nfs/dbraw/zinc/37/47/10/811374710.db2.gz UKNCMLWUGCSBKI-FNQZAJIHSA-N 1 1 292.467 3.335 20 30 CGEDMO C=C(CC)C[NH+]1CCN(c2ccc(F)cc2F)CC1 ZINC001197051283 811394303 /nfs/dbraw/zinc/39/43/03/811394303.db2.gz JRZJNJHACRYODO-UHFFFAOYSA-N 1 1 266.335 3.053 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@@](C)(C=C)CC)CC1 ZINC001197038879 811394544 /nfs/dbraw/zinc/39/45/44/811394544.db2.gz ZRAOYXJEEBGBJS-WMZOPIPTSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)C[C@@H](C)CCCCC)CC1 ZINC001197354482 811419517 /nfs/dbraw/zinc/41/95/17/811419517.db2.gz VKXYIVNTJSDIAR-INIZCTEOSA-N 1 1 280.456 3.313 20 30 CGEDMO C#CC[N@H+]1CCCN(C(=O)C[C@H](C)CCCCCC)CC1 ZINC001197787560 811452374 /nfs/dbraw/zinc/45/23/74/811452374.db2.gz TUDYVEFWOPZHDG-QGZVFWFLSA-N 1 1 292.467 3.151 20 30 CGEDMO C#CC[N@@H+]1CCCN(C(=O)C[C@H](C)CCCCCC)CC1 ZINC001197787560 811452379 /nfs/dbraw/zinc/45/23/79/811452379.db2.gz TUDYVEFWOPZHDG-QGZVFWFLSA-N 1 1 292.467 3.151 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)CCCCCC)CC1 ZINC001198021662 811473283 /nfs/dbraw/zinc/47/32/83/811473283.db2.gz GVTCQBCFIGQNLZ-UHFFFAOYSA-N 1 1 280.456 3.457 20 30 CGEDMO C=CCCC[N@H+]1CCCN(C(=O)C2CCC=CCC2)CC1 ZINC001198121593 811477675 /nfs/dbraw/zinc/47/76/75/811477675.db2.gz LFTCOHLPVZKFSR-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)[C@@H](CCC)CC(C)C)CC1 ZINC001198310123 811491919 /nfs/dbraw/zinc/49/19/19/811491919.db2.gz PCYZEZLAJILDBF-INIZCTEOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1C[C@@H]1CCCC[C@@H]1C(=O)OC ZINC001198414132 811498625 /nfs/dbraw/zinc/49/86/25/811498625.db2.gz CILFREBTMOCSNH-XHSDSOJGSA-N 1 1 279.424 3.396 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1C[C@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC001198489582 811508928 /nfs/dbraw/zinc/50/89/28/811508928.db2.gz CDIZPEPBVAGGBU-LSDHHAIUSA-N 1 1 290.794 3.483 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](CC(C)C)[C@@H]2CC ZINC001201471069 811854425 /nfs/dbraw/zinc/85/44/25/811854425.db2.gz ORZNWGVHKQNWCS-WBVHZDCISA-N 1 1 278.440 3.064 20 30 CGEDMO CCCCCCCCCCC[N@H+]1CCCNC(=O)C1 ZINC001201631731 811926099 /nfs/dbraw/zinc/92/60/99/811926099.db2.gz ZIXUEAVYLOFHCF-UHFFFAOYSA-N 1 1 268.445 3.339 20 30 CGEDMO CCCCCCC[N@@H+]1Cc2nn(CC)cc2[C@@H](COC)C1 ZINC001201762824 811963490 /nfs/dbraw/zinc/96/34/90/811963490.db2.gz WYFVLTHFMKZXTL-OAHLLOKOSA-N 1 1 293.455 3.419 20 30 CGEDMO CCCCCCC[N@@H+]1Cc2cnn(CC)c2[C@H](COC)C1 ZINC001201762927 811963518 /nfs/dbraw/zinc/96/35/18/811963518.db2.gz ZXDNUWBCVFIVIV-INIZCTEOSA-N 1 1 293.455 3.419 20 30 CGEDMO CCCCCCCN1CC([NH+]2CCC(F)CC2)C1 ZINC001201788029 811964282 /nfs/dbraw/zinc/96/42/82/811964282.db2.gz SVNGEWICMCMOPU-UHFFFAOYSA-N 1 1 256.409 3.075 20 30 CGEDMO CCCCCCCCN1CCC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC001201826309 811967788 /nfs/dbraw/zinc/96/77/88/811967788.db2.gz RLDRGFSPHWPGEE-CVEARBPZSA-N 1 1 252.446 3.373 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@H]2[C@H](CCC(=O)N2C)C1 ZINC001201839386 811968857 /nfs/dbraw/zinc/96/88/57/811968857.db2.gz BCZFACJSCSGTCT-CVEARBPZSA-N 1 1 280.456 3.290 20 30 CGEDMO CCCCCCCC[N@H+]1CCS[C@H](C(=O)OCC)C1 ZINC001201839779 811969175 /nfs/dbraw/zinc/96/91/75/811969175.db2.gz JCXGTYOPCUGYLB-AWEZNQCLSA-N 1 1 287.469 3.327 20 30 CGEDMO CCCCCCCC[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001201840350 811970152 /nfs/dbraw/zinc/97/01/52/811970152.db2.gz VBQMRXUKHIHEND-HZPDHXFCSA-N 1 1 252.446 3.230 20 30 CGEDMO CCCCCCCC[N@@H+]1C[C@H]2C[C@@]2(CN(C)C)C1 ZINC001201840350 811970160 /nfs/dbraw/zinc/97/01/60/811970160.db2.gz VBQMRXUKHIHEND-HZPDHXFCSA-N 1 1 252.446 3.230 20 30 CGEDMO CCCCCCCC[N@H+]1C[C@H]2C[C@@]2(CN(C)C)C1 ZINC001201840350 811970169 /nfs/dbraw/zinc/97/01/69/811970169.db2.gz VBQMRXUKHIHEND-HZPDHXFCSA-N 1 1 252.446 3.230 20 30 CGEDMO CCCCCCCCC[N@@H+]1CCOC[C@@H]1CCC(=O)OC ZINC001201852942 811973084 /nfs/dbraw/zinc/97/30/84/811973084.db2.gz TUYNHAOPOKAQAI-INIZCTEOSA-N 1 1 299.455 3.391 20 30 CGEDMO CCCCCCCCC[N@H+]1CCOC[C@@H]1CCC(=O)OC ZINC001201852942 811973090 /nfs/dbraw/zinc/97/30/90/811973090.db2.gz TUYNHAOPOKAQAI-INIZCTEOSA-N 1 1 299.455 3.391 20 30 CGEDMO CCCCCCCCCC[N@@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC001201874982 811973445 /nfs/dbraw/zinc/97/34/45/811973445.db2.gz MZQBBHDWKYOLTA-KBPBESRZSA-N 1 1 272.408 3.025 20 30 CGEDMO CCCCCCCCCC[N@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC001201874982 811973446 /nfs/dbraw/zinc/97/34/46/811973446.db2.gz MZQBBHDWKYOLTA-KBPBESRZSA-N 1 1 272.408 3.025 20 30 CGEDMO C=CCN1C(=O)CCC[C@@]12CCC[N@H+](CCC(C)(C)C)C2 ZINC001202065277 812008539 /nfs/dbraw/zinc/00/85/39/812008539.db2.gz JXQFCQLYHKLEGA-SFHVURJKSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](CC1CCCC1)C2 ZINC001202167271 812028018 /nfs/dbraw/zinc/02/80/18/812028018.db2.gz NQLFTXKSEPHPMS-IRXDYDNUSA-N 1 1 279.424 3.003 20 30 CGEDMO Cc1ccc(C[N@H+]2CCc3ccc(C#N)cc3C2)s1 ZINC001204030221 812526136 /nfs/dbraw/zinc/52/61/36/812526136.db2.gz ZXOVVDQFZSHZNL-UHFFFAOYSA-N 1 1 268.385 3.487 20 30 CGEDMO N#Cc1ccc2c(c1)CC[N@@H+](Cc1ccsc1)C2 ZINC001204034303 812528266 /nfs/dbraw/zinc/52/82/66/812528266.db2.gz CZIDDYGISLTMEN-UHFFFAOYSA-N 1 1 254.358 3.178 20 30 CGEDMO N#Cc1ccc2c(c1)CC[N@H+](Cc1ccsc1)C2 ZINC001204034303 812528269 /nfs/dbraw/zinc/52/82/69/812528269.db2.gz CZIDDYGISLTMEN-UHFFFAOYSA-N 1 1 254.358 3.178 20 30 CGEDMO C=CCOc1ccc(C[NH+]2CC3(C2)CC(F)(F)C3)cc1 ZINC001204293501 812602894 /nfs/dbraw/zinc/60/28/94/812602894.db2.gz DCVZLHPTPHNZGR-UHFFFAOYSA-N 1 1 279.330 3.483 20 30 CGEDMO C=CCOc1ccc(C[N@H+](CCC)CCC#N)cc1 ZINC001204299970 812605530 /nfs/dbraw/zinc/60/55/30/812605530.db2.gz GYCINGADMUGFEQ-UHFFFAOYSA-N 1 1 258.365 3.377 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](CCC)CCC#N)cc1 ZINC001204299970 812605535 /nfs/dbraw/zinc/60/55/35/812605535.db2.gz GYCINGADMUGFEQ-UHFFFAOYSA-N 1 1 258.365 3.377 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2C#N)CCC1(F)F ZINC001204368126 812623161 /nfs/dbraw/zinc/62/31/61/812623161.db2.gz KDMLYLWRJDHJSX-GFCCVEGCSA-N 1 1 264.319 3.425 20 30 CGEDMO C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1ccccc1C#N ZINC001204372422 812623368 /nfs/dbraw/zinc/62/33/68/812623368.db2.gz DPWFZSQYXNFSSN-RBUKOAKNSA-N 1 1 297.446 3.397 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001204368027 812623495 /nfs/dbraw/zinc/62/34/95/812623495.db2.gz IDKQSRTVOBXGTH-OKILXGFUSA-N 1 1 262.303 3.035 20 30 CGEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccnc1N ZINC001204697193 812710538 /nfs/dbraw/zinc/71/05/38/812710538.db2.gz MCWBNVCAUIGPHY-UHFFFAOYSA-N 1 1 294.402 3.194 20 30 CGEDMO C=C(C)[C@@H]1CC=C(CN2CCC[C@H](C[NH2+]C)C2)CC1 ZINC001205001405 812818737 /nfs/dbraw/zinc/81/87/37/812818737.db2.gz RMGAVGLXECZRIH-IAGOWNOFSA-N 1 1 262.441 3.220 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)ccc1F ZINC001205459205 812986951 /nfs/dbraw/zinc/98/69/51/812986951.db2.gz HILQBVJVDZNPPP-UONOGXRCSA-N 1 1 258.340 3.319 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC001206028014 813170532 /nfs/dbraw/zinc/17/05/32/813170532.db2.gz HIYTXLSPEYCTBQ-LLVKDONJSA-N 1 1 251.732 3.324 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC001206028014 813170537 /nfs/dbraw/zinc/17/05/37/813170537.db2.gz HIYTXLSPEYCTBQ-LLVKDONJSA-N 1 1 251.732 3.324 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1C ZINC001206537191 813342365 /nfs/dbraw/zinc/34/23/65/813342365.db2.gz LDPUBTSLFZQRJS-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO COc1cc(C)ccc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001206768759 813430064 /nfs/dbraw/zinc/43/00/64/813430064.db2.gz AMSBLZAJFAYNEQ-AWEZNQCLSA-N 1 1 258.365 3.129 20 30 CGEDMO COc1cc(C)ccc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001206769366 813432253 /nfs/dbraw/zinc/43/22/53/813432253.db2.gz JHAONPMRABGCBE-MKZZRHPPSA-N 1 1 270.376 3.270 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)/C(C)=C\C)C1 ZINC001206841622 813450258 /nfs/dbraw/zinc/45/02/58/813450258.db2.gz LWXVZACXPAPSOF-UPYRFZFASA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(F)=C(C)C)C1 ZINC001206871883 813457627 /nfs/dbraw/zinc/45/76/27/813457627.db2.gz DJPKSBNINAFXJN-HZSPNIEDSA-N 1 1 282.403 3.041 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC(C)(C)C2CC2)C1 ZINC001206937038 813458378 /nfs/dbraw/zinc/45/83/78/813458378.db2.gz IHAIROHOTWRSQK-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)=C2CCC2)C1 ZINC001206939562 813460961 /nfs/dbraw/zinc/46/09/61/813460961.db2.gz LCTZSGZVIUGWKC-CKEIUWERSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](CCCCC)C[C@H]1C ZINC001207171943 813504431 /nfs/dbraw/zinc/50/44/31/813504431.db2.gz LIXXFPSVXALGSL-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCN(CC[N@H+](C)C1CC(C)C1)C(=O)OC(C)(C)C ZINC001207200124 813516106 /nfs/dbraw/zinc/51/61/06/813516106.db2.gz ZCODVZJDYONIES-UHFFFAOYSA-N 1 1 282.428 3.140 20 30 CGEDMO C=C(C)C[C@H]([NH2+][C@@H](C)CC1CCC1)C(=O)OCC ZINC001207334191 813543472 /nfs/dbraw/zinc/54/34/72/813543472.db2.gz MOORNZRWEDDUST-JSGCOSHPSA-N 1 1 253.386 3.053 20 30 CGEDMO C[C@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@H](C#N)C1 ZINC001207678086 813632467 /nfs/dbraw/zinc/63/24/67/813632467.db2.gz DIGPAPDFIFMLSP-HUUCEWRRSA-N 1 1 266.429 3.189 20 30 CGEDMO C#CC[N@H+](C)Cc1cccc(OCc2ccc(F)cc2)c1 ZINC001207712302 813640572 /nfs/dbraw/zinc/64/05/72/813640572.db2.gz YSPLLUQRFKDEAA-UHFFFAOYSA-N 1 1 283.346 3.470 20 30 CGEDMO C=CCCCCCCCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC001207895999 813667587 /nfs/dbraw/zinc/66/75/87/813667587.db2.gz HVIQREWLYTXLCU-HNNXBMFYSA-N 1 1 266.429 3.243 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001207971706 813683711 /nfs/dbraw/zinc/68/37/11/813683711.db2.gz ZAEILJFMKHPHEX-KLHDSHLOSA-N 1 1 292.467 3.071 20 30 CGEDMO C#CCN1CCN(C/C=C/CCCCCCC)CC1 ZINC001208118945 813697849 /nfs/dbraw/zinc/69/78/49/813697849.db2.gz STDGRWNOICDGQV-ZHACJKMWSA-N 1 1 262.441 3.154 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001208176064 813727205 /nfs/dbraw/zinc/72/72/05/813727205.db2.gz GLCFEXBKOHBXNV-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H](C)C[C@@H](C(=O)OC)C2)CC1 ZINC001208178629 813729112 /nfs/dbraw/zinc/72/91/12/813729112.db2.gz VBPPMTHZDBMKBK-DJIMGWMZSA-N 1 1 291.435 3.420 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@H]3C[C@@]3(CN(C)C)C2)CC1 ZINC001208177838 813729393 /nfs/dbraw/zinc/72/93/93/813729393.db2.gz HGCZFADCRGDGIP-KZNAEPCWSA-N 1 1 274.452 3.173 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H]3C[C@@]3(CN(C)C)C2)CC1 ZINC001208177838 813729396 /nfs/dbraw/zinc/72/93/96/813729396.db2.gz HGCZFADCRGDGIP-KZNAEPCWSA-N 1 1 274.452 3.173 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001208351067 813756448 /nfs/dbraw/zinc/75/64/48/813756448.db2.gz VQRKDNJYJYGTSF-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CCCCCF)C[C@H]1C ZINC001208511810 813765249 /nfs/dbraw/zinc/76/52/49/813765249.db2.gz KRODWAKVDMKFLA-INMHGKMJSA-N 1 1 298.446 3.165 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CC/C=C\CC)C[C@H]2C)C1 ZINC001208544807 813766840 /nfs/dbraw/zinc/76/68/40/813766840.db2.gz VTFKZSUZEIBYCW-JTUDCUDASA-N 1 1 290.451 3.136 20 30 CGEDMO C[C@]1(C#N)CCN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001208592403 813768986 /nfs/dbraw/zinc/76/89/86/813768986.db2.gz VIKMYWRPIRWDJH-RBUKOAKNSA-N 1 1 297.446 3.277 20 30 CGEDMO CN1CCC[C@H](C[NH+]2CCC(c3cccc(C#N)c3)CC2)C1 ZINC001208607379 813775728 /nfs/dbraw/zinc/77/57/28/813775728.db2.gz MUKREDNOKJXHKP-KRWDZBQOSA-N 1 1 297.446 3.079 20 30 CGEDMO C=CC[N@H+](C[C@H]1CC[C@H](C(=O)OC)CC1)C(C)(C)C ZINC001208631799 813779163 /nfs/dbraw/zinc/77/91/63/813779163.db2.gz DAVFEFUSUGWABS-HDJSIYSDSA-N 1 1 267.413 3.252 20 30 CGEDMO N#Cc1ccc(O[C@H]2CCC[N@@H+](CCC3CC3)C2)cc1 ZINC001208687259 813796433 /nfs/dbraw/zinc/79/64/33/813796433.db2.gz QOORZRLHEHGOAF-KRWDZBQOSA-N 1 1 270.376 3.202 20 30 CGEDMO CCC[N@@H+](CCC#N)C[C@H](C)OCc1ccccc1 ZINC001208700465 813805167 /nfs/dbraw/zinc/80/51/67/813805167.db2.gz KAZJPFHYAAIVFY-HNNXBMFYSA-N 1 1 260.381 3.217 20 30 CGEDMO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](CCCC(C)C)C2 ZINC001208735577 813823976 /nfs/dbraw/zinc/82/39/76/813823976.db2.gz NJTSWHMZELDJES-SJORKVTESA-N 1 1 281.440 3.249 20 30 CGEDMO O=C1C=C2C[N@@H+](CCCc3ccc(F)cc3)CCC2S1 ZINC001208765218 813834403 /nfs/dbraw/zinc/83/44/03/813834403.db2.gz LOVHGMBRZKUERL-OAHLLOKOSA-N 1 1 291.391 3.032 20 30 CGEDMO CC[C@@H](CCC(=O)OC)C[N@@H+](CCC#N)C1CCCC1 ZINC001208787612 813848141 /nfs/dbraw/zinc/84/81/41/813848141.db2.gz KFNDZOUHKJKYPW-AWEZNQCLSA-N 1 1 280.412 3.124 20 30 CGEDMO Cc1noc([C@@H]2CCC[N@H+]2CCCc2cccc(C#N)c2)n1 ZINC001208850885 813863775 /nfs/dbraw/zinc/86/37/75/813863775.db2.gz MUIWMBIYMDTLRG-INIZCTEOSA-N 1 1 296.374 3.019 20 30 CGEDMO N#Cc1ccc(CCC[N@@H+]2CC[C@H](C(F)(F)F)C2)cc1 ZINC001208857518 813868652 /nfs/dbraw/zinc/86/86/52/813868652.db2.gz GHOLPESQEPEMFB-AWEZNQCLSA-N 1 1 282.309 3.375 20 30 CGEDMO N#Cc1ccc(CCC[N@@H+]2CCC[C@H](C#N)CC2)cc1 ZINC001208862309 813871249 /nfs/dbraw/zinc/87/12/49/813871249.db2.gz HUXXMMSWQXHASL-INIZCTEOSA-N 1 1 267.376 3.117 20 30 CGEDMO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCc1ccc(C#N)cc1 ZINC001208864650 813873902 /nfs/dbraw/zinc/87/39/02/813873902.db2.gz POVYPFQRESDLPU-JWTNVVGKSA-N 1 1 284.403 3.133 20 30 CGEDMO N#CC1CCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208932876 813902838 /nfs/dbraw/zinc/90/28/38/813902838.db2.gz RSTBNEXZYGRPHR-IBGZPJMESA-N 1 1 297.446 3.134 20 30 CGEDMO N#CC1CC[NH+](C[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001208932876 813902852 /nfs/dbraw/zinc/90/28/52/813902852.db2.gz RSTBNEXZYGRPHR-IBGZPJMESA-N 1 1 297.446 3.134 20 30 CGEDMO C=CCCCC[N@H+](C)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC001209001796 813913932 /nfs/dbraw/zinc/91/39/32/813913932.db2.gz DZUVJDPSILDCSW-AWEZNQCLSA-N 1 1 282.428 3.284 20 30 CGEDMO C=CCCCC[N@H+](C)CC1CCC2(CC1)OCCO2 ZINC001209104342 813934757 /nfs/dbraw/zinc/93/47/57/813934757.db2.gz CWCRNLIRFJBDPW-UHFFFAOYSA-N 1 1 267.413 3.208 20 30 CGEDMO C=CCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC001209156919 813949860 /nfs/dbraw/zinc/94/98/60/813949860.db2.gz KGOVXMFFTXBIOR-CQSZACIVSA-N 1 1 282.428 3.141 20 30 CGEDMO C=CCCC[NH+]1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC001209161600 813951969 /nfs/dbraw/zinc/95/19/69/813951969.db2.gz AHWZOUXQQQLKNG-UHFFFAOYSA-N 1 1 284.447 3.475 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1Cc2cc(OC)c(OC)cc21 ZINC001209163199 813953198 /nfs/dbraw/zinc/95/31/98/813953198.db2.gz WEDMTJZIRUBILZ-CQSZACIVSA-N 1 1 275.392 3.242 20 30 CGEDMO C=CCCC[N@H+]1CCO[C@@](C)(c2ccc(F)cc2)C1 ZINC001209161737 813953433 /nfs/dbraw/zinc/95/34/33/813953433.db2.gz CQAFNVXDYURTIX-MRXNPFEDSA-N 1 1 263.356 3.339 20 30 CGEDMO C=CCCC[N@@H+]1CCn2c(COCC3CC3)cnc2[C@H]1C ZINC001209161927 813953752 /nfs/dbraw/zinc/95/37/52/813953752.db2.gz PCSMBQZZRQOMNN-CQSZACIVSA-N 1 1 289.423 3.153 20 30 CGEDMO C=CCCC[N@H+]1CCn2c(COCC3CC3)cnc2[C@H]1C ZINC001209161927 813953757 /nfs/dbraw/zinc/95/37/57/813953757.db2.gz PCSMBQZZRQOMNN-CQSZACIVSA-N 1 1 289.423 3.153 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](C(=O)OC)[C@@H]1c1ccccc1 ZINC001209165222 813955352 /nfs/dbraw/zinc/95/53/52/813955352.db2.gz QCXBTNGCDRBBAQ-HOTGVXAUSA-N 1 1 273.376 3.189 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(c2ccc(F)cc2)CC1 ZINC001209165610 813955557 /nfs/dbraw/zinc/95/55/57/813955557.db2.gz SRFNPNTZSOCJCQ-UHFFFAOYSA-N 1 1 262.372 3.304 20 30 CGEDMO C=CCCCC[N@H+]1CC[C@@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001209201471 813964848 /nfs/dbraw/zinc/96/48/48/813964848.db2.gz MWUOMZXRIHBIAU-NEPJUHHUSA-N 1 1 283.309 3.070 20 30 CGEDMO C=CCCCC[N@H+]1Cc2c(cnn2CC)[C@H](COCC)C1 ZINC001209200512 813965356 /nfs/dbraw/zinc/96/53/56/813965356.db2.gz KUZHWTKKQGMJOR-HNNXBMFYSA-N 1 1 291.439 3.195 20 30 CGEDMO C=CCCCC[N@@H+]1C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 ZINC001209200247 813965404 /nfs/dbraw/zinc/96/54/04/813965404.db2.gz FLDRQEQZLQKMOZ-LSDHHAIUSA-N 1 1 294.439 3.284 20 30 CGEDMO C=CCCCC[N@@H+]1Cc2nnc(C(F)(F)F)n2[C@@H](C)C1 ZINC001209207343 813968638 /nfs/dbraw/zinc/96/86/38/813968638.db2.gz UNKJDNUQRSHLOJ-JTQLQIEISA-N 1 1 288.317 3.030 20 30 CGEDMO C=CCCCC[N@H+]1Cc2nnc(C(F)(F)F)n2[C@@H](C)C1 ZINC001209207343 813968642 /nfs/dbraw/zinc/96/86/42/813968642.db2.gz UNKJDNUQRSHLOJ-JTQLQIEISA-N 1 1 288.317 3.030 20 30 CGEDMO C#CCCC[NH+]1CC(Oc2cccc(C(F)(F)F)c2)C1 ZINC001209265694 813987941 /nfs/dbraw/zinc/98/79/41/813987941.db2.gz DJBHGVIZZITRGC-UHFFFAOYSA-N 1 1 283.293 3.182 20 30 CGEDMO C#CCCC[N@H+](C(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001209267215 813989762 /nfs/dbraw/zinc/98/97/62/813989762.db2.gz DLBRTXMQLHFWTO-HNNXBMFYSA-N 1 1 294.439 3.120 20 30 CGEDMO CCOC(=O)CCCCCC[N@H+]1CCC[C@@H](CC#N)C1 ZINC001209350055 814001833 /nfs/dbraw/zinc/00/18/33/814001833.db2.gz BWSVYULGUITMIB-HNNXBMFYSA-N 1 1 280.412 3.126 20 30 CGEDMO C=CCCCCC[N@H+]1Cc2cnn(CC)c2[C@@H](COC)C1 ZINC001209422941 814025987 /nfs/dbraw/zinc/02/59/87/814025987.db2.gz LEXHMFBECOSJDQ-MRXNPFEDSA-N 1 1 291.439 3.195 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@](O)(C(F)(F)F)[C@H](C)C1 ZINC001209423419 814026824 /nfs/dbraw/zinc/02/68/24/814026824.db2.gz PMJDQACRLYCAPM-OLZOCXBDSA-N 1 1 279.346 3.368 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCC[C@H]1C(=O)NCCC ZINC001209427522 814028122 /nfs/dbraw/zinc/02/81/22/814028122.db2.gz RRLHKBOWLNNNEV-HNNXBMFYSA-N 1 1 266.429 3.114 20 30 CGEDMO C=CCCCCCCN1CC[NH+](C2CCC2)CC1 ZINC001209431166 814031889 /nfs/dbraw/zinc/03/18/89/814031889.db2.gz HXUWDQITUCXKKP-UHFFFAOYSA-N 1 1 250.430 3.293 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](Oc2cc(OC)ccn2)C1 ZINC001209432842 814032948 /nfs/dbraw/zinc/03/29/48/814032948.db2.gz KSDDCZRCABXIFT-INIZCTEOSA-N 1 1 290.407 3.290 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](Oc2cc(C)ncn2)C1 ZINC001209432378 814033843 /nfs/dbraw/zinc/03/38/43/814033843.db2.gz CZJSFXIGBDIBSB-MRXNPFEDSA-N 1 1 289.423 3.375 20 30 CGEDMO C=CCCCCCC[NH+]1CCN(CC2CC2)CC1 ZINC001209436064 814036231 /nfs/dbraw/zinc/03/62/31/814036231.db2.gz NJOLNWJTBKQYKT-UHFFFAOYSA-N 1 1 250.430 3.151 20 30 CGEDMO C=CCCCCCC[N@H+]1C[C@@H]2CC[C@H](C1)C2C(=O)OC ZINC001209436197 814036361 /nfs/dbraw/zinc/03/63/61/814036361.db2.gz OITNBSUNIUFMAQ-XYPWUTKMSA-N 1 1 279.424 3.254 20 30 CGEDMO C=CCCCCCCC[N@H+]1CCC(=O)N2CCC[C@H]2C1 ZINC001209442888 814042898 /nfs/dbraw/zinc/04/28/98/814042898.db2.gz ZFQMRFLXRYGDLS-INIZCTEOSA-N 1 1 278.440 3.210 20 30 CGEDMO COc1ccc(Nc2ccc3[nH]c[nH+]c3c2)c(C#N)c1 ZINC001209848506 814168410 /nfs/dbraw/zinc/16/84/10/814168410.db2.gz MQPMGFXAUKOTBP-UHFFFAOYSA-N 1 1 264.288 3.187 20 30 CGEDMO Cc1[nH+]ccn1-c1ccc(Nc2cnc(C#N)c(C)c2)cc1 ZINC001210203995 814337848 /nfs/dbraw/zinc/33/78/48/814337848.db2.gz JYPCTAUSESXGSX-UHFFFAOYSA-N 1 1 289.342 3.499 20 30 CGEDMO CCOC(=[NH2+])c1cccc(C2=CC(=O)C[C@H](C)C2)c1 ZINC001242746612 823121210 /nfs/dbraw/zinc/12/12/10/823121210.db2.gz YAHNNOKASGNJSA-LLVKDONJSA-N 1 1 257.333 3.431 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)CC(C)(C)C)C1 ZINC001211224996 814855841 /nfs/dbraw/zinc/85/58/41/814855841.db2.gz YOIPAIPNTDHNDV-HUUCEWRRSA-N 1 1 294.483 3.461 20 30 CGEDMO CCCCCCC[C@@H](CCC)OCC[C@H]([NH3+])C(=O)OC ZINC001217895316 815995164 /nfs/dbraw/zinc/99/51/64/815995164.db2.gz AENNHLBPWLUBHJ-CABCVRRESA-N 1 1 287.444 3.423 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(C)c3)[C@@H]2C1 ZINC001221240682 816306440 /nfs/dbraw/zinc/30/64/40/816306440.db2.gz WSQAEQAHWDCYPA-QZTJIDSGSA-N 1 1 298.430 3.108 20 30 CGEDMO C=CCCC(=O)N1C[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C[C@H]21 ZINC001221424509 816312756 /nfs/dbraw/zinc/31/27/56/816312756.db2.gz GYUDVLCDQWLUQC-KBAYOESNSA-N 1 1 298.430 3.247 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CC(C)=C(C)C)[C@@H]2C1 ZINC001221744242 816324565 /nfs/dbraw/zinc/32/45/65/816324565.db2.gz KZOSHXYAVRQTNM-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](F)CC)[C@@H]2C1 ZINC001221738546 816325724 /nfs/dbraw/zinc/32/57/24/816325724.db2.gz LWUCBPRFROFHEZ-BZUAXINKSA-N 1 1 298.446 3.238 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CCC)C(C)C)[C@@H]2C1 ZINC001221844464 816330296 /nfs/dbraw/zinc/33/02/96/816330296.db2.gz RKWASHULPKQJQC-BRWVUGGUSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)CCC(C)(C)C)[C@@H]2C1 ZINC001221949544 816335997 /nfs/dbraw/zinc/33/59/97/816335997.db2.gz BFCBUOJWWDURNH-ARFHVFGLSA-N 1 1 292.467 3.168 20 30 CGEDMO N#Cc1ccc(CN2CCCC[C@]3(CCCC[NH2+]C3)C2)cc1 ZINC001222160692 816366462 /nfs/dbraw/zinc/36/64/62/816366462.db2.gz HZEOWVOAHCYZOM-IBGZPJMESA-N 1 1 297.446 3.304 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H](c2ccccc2)C2(CNC2)C1 ZINC001222595555 816474937 /nfs/dbraw/zinc/47/49/37/816474937.db2.gz CREWDNLEZSEKKO-GOSISDBHSA-N 1 1 284.447 3.422 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@H](c2ccccc2)C2(CNC2)C1 ZINC001222595555 816474942 /nfs/dbraw/zinc/47/49/42/816474942.db2.gz CREWDNLEZSEKKO-GOSISDBHSA-N 1 1 284.447 3.422 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCCC(C)C)C[C@@H]21 ZINC001223563543 816651344 /nfs/dbraw/zinc/65/13/44/816651344.db2.gz MXYWMRURPXUYEY-SJORKVTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCO[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC001224339386 816782697 /nfs/dbraw/zinc/78/26/97/816782697.db2.gz LKDHXPGAMOXODI-OAHLLOKOSA-N 1 1 263.356 3.383 20 30 CGEDMO CCCCCCCCCO[C@@H](C)C[NH+]1CCOCC1 ZINC001224386308 816791314 /nfs/dbraw/zinc/79/13/14/816791314.db2.gz KAFXYPVKKUMKAI-INIZCTEOSA-N 1 1 271.445 3.474 20 30 CGEDMO C[C@@H](OC[C@@H]1CCCC[N@H+]1C)c1ccccc1C#N ZINC001224704605 816860435 /nfs/dbraw/zinc/86/04/35/816860435.db2.gz BCUDWFGHXYCGTB-HIFRSBDPSA-N 1 1 258.365 3.120 20 30 CGEDMO N#CC1(CO[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC001224949813 816915849 /nfs/dbraw/zinc/91/58/49/816915849.db2.gz IIUMGPNAGSFWDN-KZNAEPCWSA-N 1 1 296.414 3.217 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OCC1(C#N)CC1 ZINC001224952752 816917069 /nfs/dbraw/zinc/91/70/69/816917069.db2.gz NRLVKXIJBFSSBL-DOTOQJQBSA-N 1 1 284.403 3.217 20 30 CGEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cc(Cl)cc(C#N)c1)C2 ZINC001225697713 817146035 /nfs/dbraw/zinc/14/60/35/817146035.db2.gz MLZFBAMDEGIQGK-AGGWBTHJSA-N 1 1 276.767 3.216 20 30 CGEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc(C#N)cc1Cl)C2 ZINC001225726680 817158503 /nfs/dbraw/zinc/15/85/03/817158503.db2.gz GRCORXJBLOHYPQ-CLLJXQQHSA-N 1 1 276.767 3.216 20 30 CGEDMO Cc1c(C#N)c(O[C@H]2CCC[N@H+](C)CC2)nc2ccccc12 ZINC001226445595 817359164 /nfs/dbraw/zinc/35/91/64/817359164.db2.gz VIYRBFNZVCHXTM-AWEZNQCLSA-N 1 1 295.386 3.278 20 30 CGEDMO Cc1cc(O[C@@H]2CCC[N@H+](C)CC2)cc(C)c1C#N ZINC001226830845 817478564 /nfs/dbraw/zinc/47/85/64/817478564.db2.gz DDSSVGLRJBIMQZ-CQSZACIVSA-N 1 1 258.365 3.038 20 30 CGEDMO N#Cc1cccc(F)c1O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001227288410 817618474 /nfs/dbraw/zinc/61/84/74/817618474.db2.gz ADMLRRNCKZOGDQ-INIZCTEOSA-N 1 1 296.345 3.351 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)C(C)(C)C(C)C)CC1 ZINC001227546651 817669830 /nfs/dbraw/zinc/66/98/30/817669830.db2.gz JJMIDDQPFHLKDS-UHFFFAOYSA-N 1 1 286.847 3.002 20 30 CGEDMO Cc1cc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)cc1C#N ZINC001228143648 817823280 /nfs/dbraw/zinc/82/32/80/817823280.db2.gz KQVXHMZMHQXFPY-MUJYYYPQSA-N 1 1 270.376 3.179 20 30 CGEDMO CCCc1cc(C)nc(O[C@@H]2CCC[N@@H+](C)CC2)c1C#N ZINC001228599970 817950310 /nfs/dbraw/zinc/95/03/10/817950310.db2.gz SCJGSTRNLXEZOO-OAHLLOKOSA-N 1 1 287.407 3.077 20 30 CGEDMO C=CCc1ccccc1O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001228843875 818019526 /nfs/dbraw/zinc/01/95/26/818019526.db2.gz KTMRLXNMPWSQHD-ZSHCYNCHSA-N 1 1 257.377 3.419 20 30 CGEDMO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1CC1CCCCCC1 ZINC001231169265 818050323 /nfs/dbraw/zinc/05/03/23/818050323.db2.gz FBMXYWKVMPLJRI-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO CN(C)c1ccc2cc(C[N@@H+]3CC[C@@H](C#N)C3)ccc2c1 ZINC001231442306 818101021 /nfs/dbraw/zinc/10/10/21/818101021.db2.gz JWILVQFIHPRWGQ-HNNXBMFYSA-N 1 1 279.387 3.251 20 30 CGEDMO CN(C)c1ccc2cc(C[N@H+]3CC[C@@H](C#N)C3)ccc2c1 ZINC001231442306 818101025 /nfs/dbraw/zinc/10/10/25/818101025.db2.gz JWILVQFIHPRWGQ-HNNXBMFYSA-N 1 1 279.387 3.251 20 30 CGEDMO C[N@H+](Cc1ccccc1C#Cc1ccccc1)CC1COC1 ZINC001231578434 818127386 /nfs/dbraw/zinc/12/73/86/818127386.db2.gz NWZFMWBTCNBKSG-UHFFFAOYSA-N 1 1 291.394 3.165 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCc3cnccc3C2)c1 ZINC001231620995 818138698 /nfs/dbraw/zinc/13/86/98/818138698.db2.gz KTNGIXUAHGDEEZ-UHFFFAOYSA-N 1 1 280.371 3.205 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCc3cnccc3C2)c1 ZINC001231620995 818138701 /nfs/dbraw/zinc/13/87/01/818138701.db2.gz KTNGIXUAHGDEEZ-UHFFFAOYSA-N 1 1 280.371 3.205 20 30 CGEDMO CCc1ccc(C[N@@H+]2CCc3ccc(C#N)cc3C2)nc1 ZINC001231638838 818144319 /nfs/dbraw/zinc/14/43/19/818144319.db2.gz VKFBWTAWCVRWGY-UHFFFAOYSA-N 1 1 277.371 3.074 20 30 CGEDMO CCc1ccc(C[N@H+]2CCc3ccc(C#N)cc3C2)nc1 ZINC001231638838 818144327 /nfs/dbraw/zinc/14/43/27/818144327.db2.gz VKFBWTAWCVRWGY-UHFFFAOYSA-N 1 1 277.371 3.074 20 30 CGEDMO C#Cc1cccc(C[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC001231659114 818150871 /nfs/dbraw/zinc/15/08/71/818150871.db2.gz GEGFHOJFOFNPCR-UHFFFAOYSA-N 1 1 294.373 3.129 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CCCC[C@@](C)(C(=O)OCC)C2)c1 ZINC001231657299 818150965 /nfs/dbraw/zinc/15/09/65/818150965.db2.gz ILZMDCZLPOWTJX-LJQANCHMSA-N 1 1 299.414 3.223 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)c1 ZINC001231659655 818151754 /nfs/dbraw/zinc/15/17/54/818151754.db2.gz QLOIBINOVXLMIH-IBGZPJMESA-N 1 1 277.367 3.241 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CCO[C@H](c3ccccc3)C2)c1 ZINC001231659655 818151759 /nfs/dbraw/zinc/15/17/59/818151759.db2.gz QLOIBINOVXLMIH-IBGZPJMESA-N 1 1 277.367 3.241 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CCC[C@H]2CC(=O)OC(C)(C)C)c1 ZINC001231661371 818151784 /nfs/dbraw/zinc/15/17/84/818151784.db2.gz RRYDKTAFSCACLB-KRWDZBQOSA-N 1 1 299.414 3.364 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CC[C@H](Oc3ccncc3C)C2)c1 ZINC001231663172 818153712 /nfs/dbraw/zinc/15/37/12/818153712.db2.gz KVPLMVGJXBTWDJ-SFHVURJKSA-N 1 1 292.382 3.025 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc2cc[nH]c2cn1 ZINC001231668325 818155412 /nfs/dbraw/zinc/15/54/12/818155412.db2.gz QJQJDIAQJFNDRH-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO Cc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)cc(C)n1 ZINC001232000233 818228601 /nfs/dbraw/zinc/22/86/01/818228601.db2.gz GMWCERHYWGRUNG-UHFFFAOYSA-N 1 1 265.360 3.202 20 30 CGEDMO CC[N@H+](CCC#N)Cc1ccnc2c(F)cccc12 ZINC001232208107 818277168 /nfs/dbraw/zinc/27/71/68/818277168.db2.gz DHBMGQPWEHOKAN-UHFFFAOYSA-N 1 1 257.312 3.109 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1ccnc2c(F)cccc12 ZINC001232208107 818277172 /nfs/dbraw/zinc/27/71/72/818277172.db2.gz DHBMGQPWEHOKAN-UHFFFAOYSA-N 1 1 257.312 3.109 20 30 CGEDMO N#Cc1ccc(O[C@H]2CCC[N@H+](Cc3cnsc3)C2)cc1 ZINC001232231179 818285889 /nfs/dbraw/zinc/28/58/89/818285889.db2.gz LHRMAALJELTQKZ-INIZCTEOSA-N 1 1 299.399 3.058 20 30 CGEDMO N#Cc1ccc(O[C@H]2CCC[N@@H+](Cc3cnsc3)C2)cc1 ZINC001232231179 818285893 /nfs/dbraw/zinc/28/58/93/818285893.db2.gz LHRMAALJELTQKZ-INIZCTEOSA-N 1 1 299.399 3.058 20 30 CGEDMO CSc1cc(C)c(C[N@@H+]2CCC[C@@H](CC#N)C2)cn1 ZINC001232348625 818325925 /nfs/dbraw/zinc/32/59/25/818325925.db2.gz SQRLFAMMQBSFCJ-ZDUSSCGKSA-N 1 1 275.421 3.238 20 30 CGEDMO CSc1cc(C)c(C[N@H+]2CCC[C@@H](CC#N)C2)cn1 ZINC001232348625 818325935 /nfs/dbraw/zinc/32/59/35/818325935.db2.gz SQRLFAMMQBSFCJ-ZDUSSCGKSA-N 1 1 275.421 3.238 20 30 CGEDMO COc1ccccc1[C@H](C)[N@H+](C)Cc1cc(C#N)ccn1 ZINC001232479764 818363595 /nfs/dbraw/zinc/36/35/95/818363595.db2.gz XALYKIKDGLIFOS-ZDUSSCGKSA-N 1 1 281.359 3.155 20 30 CGEDMO COc1ccccc1[C@H](C)[N@@H+](C)Cc1cc(C#N)ccn1 ZINC001232479764 818363601 /nfs/dbraw/zinc/36/36/01/818363601.db2.gz XALYKIKDGLIFOS-ZDUSSCGKSA-N 1 1 281.359 3.155 20 30 CGEDMO CC(C)[N@@H+](C)[C@H]1CCN(Cc2ccc(Cl)cc2C#N)C1 ZINC001232609585 818394076 /nfs/dbraw/zinc/39/40/76/818394076.db2.gz KZFLSGDSDYHFKG-INIZCTEOSA-N 1 1 291.826 3.126 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](Cc2cccc3c2CCCC3)C1 ZINC001232640272 818408580 /nfs/dbraw/zinc/40/85/80/818408580.db2.gz LYVJGYZDXAKWEN-QGZVFWFLSA-N 1 1 254.377 3.301 20 30 CGEDMO N#Cc1ccc([O-])c(C[N@H+]2CC[C@H]2c2ccccc2)c1 ZINC001232679005 818417188 /nfs/dbraw/zinc/41/71/88/818417188.db2.gz YEYPVDSBEHCDBX-INIZCTEOSA-N 1 1 264.328 3.211 20 30 CGEDMO N#Cc1ccc([O-])c(C[N@H+]2CCCc3ccccc3C2)c1 ZINC001232679438 818417548 /nfs/dbraw/zinc/41/75/48/818417548.db2.gz KSRRMJGVSXIOEC-UHFFFAOYSA-N 1 1 278.355 3.212 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(O)c1Cl ZINC001232788390 818441927 /nfs/dbraw/zinc/44/19/27/818441927.db2.gz RHBTUMZAOYWTPT-UOJUARBOSA-N 1 1 276.767 3.312 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(O)c1Cl ZINC001232788390 818441933 /nfs/dbraw/zinc/44/19/33/818441933.db2.gz RHBTUMZAOYWTPT-UOJUARBOSA-N 1 1 276.767 3.312 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001232889522 818465265 /nfs/dbraw/zinc/46/52/65/818465265.db2.gz JHWDHSNSNGIXNG-TZMCWYRMSA-N 1 1 258.340 3.319 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@]2(C1)CCCCO2 ZINC001233080688 818519878 /nfs/dbraw/zinc/51/98/78/818519878.db2.gz SYUVQAZXBLUVFK-QGZVFWFLSA-N 1 1 270.376 3.012 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+](CCCCCO)C(C)C ZINC001233083606 818520642 /nfs/dbraw/zinc/52/06/42/818520642.db2.gz RWDMGAWDADPDOA-UHFFFAOYSA-N 1 1 274.408 3.240 20 30 CGEDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](F)CC2)c(F)c1C#N ZINC001233097545 818520723 /nfs/dbraw/zinc/52/07/23/818520723.db2.gz ULNWFGLLADNTOE-ZDUSSCGKSA-N 1 1 293.361 3.087 20 30 CGEDMO C=CC[N@H+](Cc1cc(C)c[nH]c1=O)C1CCCCC1 ZINC001233198575 818538649 /nfs/dbraw/zinc/53/86/49/818538649.db2.gz RRFLSDUBNXWUDW-UHFFFAOYSA-N 1 1 260.381 3.416 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(Br)c(C)c1C ZINC001233222719 818544925 /nfs/dbraw/zinc/54/49/25/818544925.db2.gz WKJRFWFTYPBPQZ-UHFFFAOYSA-N 1 1 266.182 3.131 20 30 CGEDMO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2O)CCC1(F)F ZINC001233383710 818604833 /nfs/dbraw/zinc/60/48/33/818604833.db2.gz SNOYXIQSYUTERQ-LLVKDONJSA-N 1 1 280.318 3.131 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2O)CCC1(F)F ZINC001233383710 818604834 /nfs/dbraw/zinc/60/48/34/818604834.db2.gz SNOYXIQSYUTERQ-LLVKDONJSA-N 1 1 280.318 3.131 20 30 CGEDMO C[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2O)C[C@H]1C ZINC001233383820 818605622 /nfs/dbraw/zinc/60/56/22/818605622.db2.gz XKOKVFYPJVQJNO-CHWSQXEVSA-N 1 1 258.365 3.132 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2O)C[C@H]1C ZINC001233383820 818605627 /nfs/dbraw/zinc/60/56/27/818605627.db2.gz XKOKVFYPJVQJNO-CHWSQXEVSA-N 1 1 258.365 3.132 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)c(O)c1 ZINC001233386216 818607596 /nfs/dbraw/zinc/60/75/96/818607596.db2.gz KFUBZXIMMCCWBH-CABCVRRESA-N 1 1 270.376 3.276 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c(O)c1 ZINC001233386216 818607599 /nfs/dbraw/zinc/60/75/99/818607599.db2.gz KFUBZXIMMCCWBH-CABCVRRESA-N 1 1 270.376 3.276 20 30 CGEDMO SC1CC[NH+](Cc2ccsc2Br)CC1 ZINC001233481387 818625034 /nfs/dbraw/zinc/62/50/34/818625034.db2.gz JGAWUASWJQOUHI-UHFFFAOYSA-N 1 1 292.267 3.405 20 30 CGEDMO CC[N@H+]1CC[C@H](Oc2cc(C(F)(F)F)ccc2C#N)C1 ZINC001233730906 818692070 /nfs/dbraw/zinc/69/20/70/818692070.db2.gz AMNWOFWGCMZVJX-LBPRGKRZSA-N 1 1 284.281 3.050 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)c1cc(C)oc1C ZINC001233825705 818713840 /nfs/dbraw/zinc/71/38/40/818713840.db2.gz IPCUUCJRPGDIAT-ZDUSSCGKSA-N 1 1 292.423 3.303 20 30 CGEDMO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1CCCCCCC ZINC001233946439 818738115 /nfs/dbraw/zinc/73/81/15/818738115.db2.gz BKUVKJNABHITNI-QGZVFWFLSA-N 1 1 292.467 3.293 20 30 CGEDMO C=CCCCCC[N@H+](C)CCCNC(=O)c1occc1C ZINC001233959658 818738962 /nfs/dbraw/zinc/73/89/62/818738962.db2.gz FQTRUHPDIXAPRB-UHFFFAOYSA-N 1 1 292.423 3.386 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)=C1CCC1 ZINC001234152296 818793320 /nfs/dbraw/zinc/79/33/20/818793320.db2.gz UZXPBVWDTNISIU-WMLDXEAASA-N 1 1 290.451 3.374 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)CC(C)(C)CC ZINC001234536627 818877133 /nfs/dbraw/zinc/87/71/33/818877133.db2.gz FZLAKFXPQCULIB-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC(=O)NCCC[N@H+](C)C[C@H](C)CC(C)C ZINC001235451285 819103094 /nfs/dbraw/zinc/10/30/94/819103094.db2.gz GADYQIVEQNHJMT-OAHLLOKOSA-N 1 1 268.445 3.073 20 30 CGEDMO C[N@@H+](CCOc1ccccc1)Cc1ccccc1CC#N ZINC001235522799 819114318 /nfs/dbraw/zinc/11/43/18/819114318.db2.gz JPEHHGVIKUMSPO-UHFFFAOYSA-N 1 1 280.371 3.263 20 30 CGEDMO N#CCc1ccccc1C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC001235524131 819114778 /nfs/dbraw/zinc/11/47/78/819114778.db2.gz ZNEZDCJRKIVHTM-GOSISDBHSA-N 1 1 277.371 3.137 20 30 CGEDMO N#CCc1ccccc1C[N@@H+]1CCc2ccc(F)cc2C1 ZINC001235527105 819116099 /nfs/dbraw/zinc/11/60/99/819116099.db2.gz IDNHMGWDRWOFPA-UHFFFAOYSA-N 1 1 280.346 3.450 20 30 CGEDMO C[C@@H]1c2cccn2CC[N@H+]1Cc1ccccc1CC#N ZINC001235530178 819116500 /nfs/dbraw/zinc/11/65/00/819116500.db2.gz SCKCMTFEMBQKGL-CQSZACIVSA-N 1 1 265.360 3.131 20 30 CGEDMO C[C@@H]1c2cccn2CC[N@@H+]1Cc1ccccc1CC#N ZINC001235530178 819116503 /nfs/dbraw/zinc/11/65/03/819116503.db2.gz SCKCMTFEMBQKGL-CQSZACIVSA-N 1 1 265.360 3.131 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)CCCNC(=O)C[C@@H](C)C(C)C ZINC001235543697 819121060 /nfs/dbraw/zinc/12/10/60/819121060.db2.gz DCNCLOFJJUCCOK-CVEARBPZSA-N 1 1 282.472 3.461 20 30 CGEDMO CC(C)[N@H+](Cc1c(F)cc(C#N)cc1F)CC1CC1 ZINC001235657823 819130414 /nfs/dbraw/zinc/13/04/14/819130414.db2.gz YOTQQUGNTCQLBG-UHFFFAOYSA-N 1 1 264.319 3.457 20 30 CGEDMO C[N@H+]1CCc2c(F)cc(-c3ccc(F)c(C#N)c3)cc2C1 ZINC001235900043 819209266 /nfs/dbraw/zinc/20/92/66/819209266.db2.gz SHUBIXMIQZIYBF-UHFFFAOYSA-N 1 1 284.309 3.491 20 30 CGEDMO C[C@@H](c1ccccc1)[N@@H+](CCO)Cc1ccc(C#N)cc1 ZINC001236145565 819346793 /nfs/dbraw/zinc/34/67/93/819346793.db2.gz YDPCRWWTHHZVCI-HNNXBMFYSA-N 1 1 280.371 3.114 20 30 CGEDMO CCCCCCCCCC[N@@H+](C)C[C@@H]1COCCN1 ZINC001236423298 819470135 /nfs/dbraw/zinc/47/01/35/819470135.db2.gz LRICCXQGPDZLKH-MRXNPFEDSA-N 1 1 270.461 3.047 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](Cc2ccc(F)c3ccoc32)C1 ZINC001236901935 819634266 /nfs/dbraw/zinc/63/42/66/819634266.db2.gz RSCHXXNGNGXZLH-OAHLLOKOSA-N 1 1 258.296 3.307 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](Cc2ccc(F)c3ccoc32)C1 ZINC001236901935 819634270 /nfs/dbraw/zinc/63/42/70/819634270.db2.gz RSCHXXNGNGXZLH-OAHLLOKOSA-N 1 1 258.296 3.307 20 30 CGEDMO C#CC[N@@H+](C)Cc1cncc(-c2ccc(C)cc2)c1 ZINC001236994763 819642011 /nfs/dbraw/zinc/64/20/11/819642011.db2.gz VZNPHBZYZMLYBI-UHFFFAOYSA-N 1 1 250.345 3.122 20 30 CGEDMO C#CC[N@H+](C)Cc1cncc(-c2ccc(C)cc2)c1 ZINC001236994763 819642017 /nfs/dbraw/zinc/64/20/17/819642017.db2.gz VZNPHBZYZMLYBI-UHFFFAOYSA-N 1 1 250.345 3.122 20 30 CGEDMO N#Cc1ccc(CCC[N@H+](C2CCC2)[C@@H]2CCCNC2)cc1 ZINC001237144637 819678289 /nfs/dbraw/zinc/67/82/89/819678289.db2.gz KTFUIIZMMZVBMH-LJQANCHMSA-N 1 1 297.446 3.097 20 30 CGEDMO N#Cc1ccc(CCC[N@@H+](C2CCC2)[C@@H]2CCCNC2)cc1 ZINC001237144637 819678293 /nfs/dbraw/zinc/67/82/93/819678293.db2.gz KTFUIIZMMZVBMH-LJQANCHMSA-N 1 1 297.446 3.097 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccccc1OCCO ZINC001237202338 819697753 /nfs/dbraw/zinc/69/77/53/819697753.db2.gz HZGYKCGJAWSEEE-UHFFFAOYSA-N 1 1 297.398 3.246 20 30 CGEDMO C=CC[N@@H+](C)Cc1cc(Cl)nc(C(F)(F)F)c1 ZINC001237498940 819763528 /nfs/dbraw/zinc/76/35/28/819763528.db2.gz QWARCVFDFUREKU-UHFFFAOYSA-N 1 1 264.678 3.372 20 30 CGEDMO C=CC[N@H+](C)Cc1cc(Cl)nc(C(F)(F)F)c1 ZINC001237498940 819763530 /nfs/dbraw/zinc/76/35/30/819763530.db2.gz QWARCVFDFUREKU-UHFFFAOYSA-N 1 1 264.678 3.372 20 30 CGEDMO Cc1cccc(O)c1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001237490700 819764231 /nfs/dbraw/zinc/76/42/31/819764231.db2.gz ZSTWCQYVYKUWFM-UHFFFAOYSA-N 1 1 266.344 3.204 20 30 CGEDMO N#Cc1ccc2nc(C[N@H+]3CC[C@H]4CCCC[C@@H]4C3)cn2c1 ZINC001237616808 819786250 /nfs/dbraw/zinc/78/62/50/819786250.db2.gz HMGHEXMPMAKFNU-HZPDHXFCSA-N 1 1 294.402 3.218 20 30 CGEDMO COc1ccc(C)c(C[N@H+]2CCc3cc(C#N)ccc3C2)c1 ZINC001237710256 819814510 /nfs/dbraw/zinc/81/45/10/819814510.db2.gz TYYYUKHDPSMQPU-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO COc1cc(-c2ccc[nH]2)[nH]c1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001237874153 819866012 /nfs/dbraw/zinc/86/60/12/819866012.db2.gz FBIFTTKVNAEWBE-CYBMUJFWSA-N 1 1 298.390 3.144 20 30 CGEDMO COc1cc(-c2ccc[nH]2)[nH]c1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001237874153 819866024 /nfs/dbraw/zinc/86/60/24/819866024.db2.gz FBIFTTKVNAEWBE-CYBMUJFWSA-N 1 1 298.390 3.144 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)ccc1Cl ZINC001238189124 819950771 /nfs/dbraw/zinc/95/07/71/819950771.db2.gz MGAJVJYXUOYRSB-BBRMVZONSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)ccc1Cl ZINC001238189124 819950778 /nfs/dbraw/zinc/95/07/78/819950778.db2.gz MGAJVJYXUOYRSB-BBRMVZONSA-N 1 1 290.794 3.213 20 30 CGEDMO C#CC[NH+](CC#C)Cc1cc(C)c(Br)cc1C ZINC001238283969 819969497 /nfs/dbraw/zinc/96/94/97/819969497.db2.gz GPBLUWHQVUKNQC-UHFFFAOYSA-N 1 1 290.204 3.134 20 30 CGEDMO COc1cc(C[N@H+]2CC[C@H](C)C(F)(F)CC2)ccc1C#N ZINC001238411037 819987919 /nfs/dbraw/zinc/98/79/19/819987919.db2.gz XIERRRWWUVLUFG-LBPRGKRZSA-N 1 1 294.345 3.434 20 30 CGEDMO C=CC[N@@H+](Cc1cc(OCC)ncc1F)C(C)(C)C ZINC001238734967 820105931 /nfs/dbraw/zinc/10/59/31/820105931.db2.gz PHDKRJLPTLGRAL-UHFFFAOYSA-N 1 1 266.360 3.406 20 30 CGEDMO C=CC[N@H+](Cc1cc(OCC)ncc1F)C(C)(C)C ZINC001238734967 820105935 /nfs/dbraw/zinc/10/59/35/820105935.db2.gz PHDKRJLPTLGRAL-UHFFFAOYSA-N 1 1 266.360 3.406 20 30 CGEDMO CCc1cc(C[N@H+]2CCC[C@]3(CCOC3)C2)ccc1C#N ZINC001238760102 820109273 /nfs/dbraw/zinc/10/92/73/820109273.db2.gz DPZQMRIMFXQQMR-SFHVURJKSA-N 1 1 284.403 3.123 20 30 CGEDMO CCc1cc(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)ccc1C#N ZINC001238760337 820109458 /nfs/dbraw/zinc/10/94/58/820109458.db2.gz HWHJQFNQDIZROR-SJLPKXTDSA-N 1 1 284.403 3.122 20 30 CGEDMO CCc1cc(C[N@H+]2C[C@H](C)CC23CC3)ccc1C#N ZINC001238768364 820113144 /nfs/dbraw/zinc/11/31/44/820113144.db2.gz IGMRRTCFRIPAQD-CYBMUJFWSA-N 1 1 254.377 3.495 20 30 CGEDMO COc1cc(C)c(C)cc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001238767567 820113615 /nfs/dbraw/zinc/11/36/15/820113615.db2.gz QXMRGZVISUITNS-HNNXBMFYSA-N 1 1 272.392 3.438 20 30 CGEDMO C=C/C(=N\COC)C1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001240385923 821009804 /nfs/dbraw/zinc/00/98/04/821009804.db2.gz QUPLSOAWNMPHRH-ISLYRVAYSA-N 1 1 270.376 3.050 20 30 CGEDMO C#Cc1cccc(-c2ccc(C)cc2C[NH+]2CCOCC2)c1 ZINC001241921222 822219174 /nfs/dbraw/zinc/21/91/74/822219174.db2.gz IBDVAMILGCAYRH-UHFFFAOYSA-N 1 1 291.394 3.476 20 30 CGEDMO Cc1cc(N)[nH+]cc1-c1cc(OC(F)F)ccc1C#N ZINC001242090712 822345915 /nfs/dbraw/zinc/34/59/15/822345915.db2.gz RPHIFAJKRGSGJT-UHFFFAOYSA-N 1 1 275.258 3.112 20 30 CGEDMO Cc1cc(-c2ccc([C@@H]3CC[N@H+](C)C3)cc2)cnc1C#N ZINC001242357852 822965026 /nfs/dbraw/zinc/96/50/26/822965026.db2.gz RCKXSSSKEIPJHU-MRXNPFEDSA-N 1 1 277.371 3.348 20 30 CGEDMO Cc1cc(C#N)ccc1-c1cccc(C[NH+]2CCOCC2)c1 ZINC001242473352 823004421 /nfs/dbraw/zinc/00/44/21/823004421.db2.gz YRLGFUYGVMORQO-UHFFFAOYSA-N 1 1 292.382 3.366 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)C/C=C\c2cccc(F)c2)n1 ZINC001338262078 936313936 /nfs/dbraw/zinc/31/39/36/936313936.db2.gz FOJRVXWWDXUPIR-VURMDHGXSA-N 1 1 297.377 3.191 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)C/C=C\c2cccc(F)c2)n1 ZINC001338262078 936313938 /nfs/dbraw/zinc/31/39/38/936313938.db2.gz FOJRVXWWDXUPIR-VURMDHGXSA-N 1 1 297.377 3.191 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)Cc1ccc([S@](C)=O)cc1 ZINC001343322590 936495234 /nfs/dbraw/zinc/49/52/34/936495234.db2.gz JSFSENIPOBWIFI-NRFANRHFSA-N 1 1 297.423 3.059 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc([S@](C)=O)cc1 ZINC001343322590 936495237 /nfs/dbraw/zinc/49/52/37/936495237.db2.gz JSFSENIPOBWIFI-NRFANRHFSA-N 1 1 297.423 3.059 20 30 CGEDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)CC1(C#N)CCCCC1 ZINC001346826867 936863367 /nfs/dbraw/zinc/86/33/67/936863367.db2.gz BTRWEAJYWUFUDJ-OAHLLOKOSA-N 1 1 292.423 3.268 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](CCc2ccc(OC(F)(F)F)cc2)C1 ZINC001347145842 936872124 /nfs/dbraw/zinc/87/21/24/936872124.db2.gz PZTRMAKYDFYMIH-CQSZACIVSA-N 1 1 298.308 3.363 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](CCc2ccc(OC(F)(F)F)cc2)C1 ZINC001347145842 936872127 /nfs/dbraw/zinc/87/21/27/936872127.db2.gz PZTRMAKYDFYMIH-CQSZACIVSA-N 1 1 298.308 3.363 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](F)CC)C1 ZINC001479909530 936921515 /nfs/dbraw/zinc/92/15/15/936921515.db2.gz ZFHUEBYZVVNHHQ-GJZGRUSLSA-N 1 1 284.419 3.062 20 30 CGEDMO C=C(CC)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001349002094 936941793 /nfs/dbraw/zinc/94/17/93/936941793.db2.gz BNFMJJHYMVZUAY-ZFWWWQNUSA-N 1 1 292.448 3.213 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)CC(C)C)C1 ZINC001479967901 936951027 /nfs/dbraw/zinc/95/10/27/936951027.db2.gz PRWBPUWHSWWABN-JKSUJKDBSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](CCCCC)C(C)C)C1 ZINC001479968062 936951412 /nfs/dbraw/zinc/95/14/12/936951412.db2.gz ZQFUFXUTESLRFG-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(CC(C)C)C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC001349652614 936956224 /nfs/dbraw/zinc/95/62/24/936956224.db2.gz NAIHCURKNWEYKG-UHFFFAOYSA-N 1 1 297.402 3.399 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CC(C)=C(C)C)C1 ZINC001480381065 937048324 /nfs/dbraw/zinc/04/83/24/937048324.db2.gz AIKVCFRYTPQNNN-HOTGVXAUSA-N 1 1 278.440 3.136 20 30 CGEDMO CC(C)c1ccc(CC[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC001353605902 937072328 /nfs/dbraw/zinc/07/23/28/937072328.db2.gz MQWMYSUPDXYGOR-CALCHBBNSA-N 1 1 299.462 3.271 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1CC(=O)Nc1ccc(C)c(Cl)c1 ZINC001473865854 937826198 /nfs/dbraw/zinc/82/61/98/937826198.db2.gz YVKLZEPMCMMCOC-ZDUSSCGKSA-N 1 1 278.783 3.237 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1CC(=O)Nc1ccc(C)c(Cl)c1 ZINC001473865854 937826199 /nfs/dbraw/zinc/82/61/99/937826199.db2.gz YVKLZEPMCMMCOC-ZDUSSCGKSA-N 1 1 278.783 3.237 20 30 CGEDMO CC[N@@H+](CCCC1CCCC1)CCNC(=O)C#CC(C)C ZINC001480973910 926849453 /nfs/dbraw/zinc/84/94/53/926849453.db2.gz PJHRFGGHNCIQIR-UHFFFAOYSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CC[N@@H+](CC)CCNC(=O)C1(CC(C)C)CCCC1 ZINC001481006479 926856551 /nfs/dbraw/zinc/85/65/51/926856551.db2.gz USJQAXGBTGTWGO-UHFFFAOYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC001481083465 926884212 /nfs/dbraw/zinc/88/42/12/926884212.db2.gz NETKWFKRZVLUIT-JKSUJKDBSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)c1cccc(C)c1C ZINC001481152623 926897218 /nfs/dbraw/zinc/89/72/18/926897218.db2.gz DJBNJPHXWFTELE-UHFFFAOYSA-N 1 1 288.435 3.321 20 30 CGEDMO C=C(C)CC[N@@H+](CCNC(=O)C(C)=C1CCCC1)C1CC1 ZINC001481164776 926899031 /nfs/dbraw/zinc/89/90/31/926899031.db2.gz RXTNPMPIOUFIPX-UHFFFAOYSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)C1CCC2(CC2)CC1)C(C)C ZINC001481351455 926964205 /nfs/dbraw/zinc/96/42/05/926964205.db2.gz DJCKIRJPVCUAEV-UHFFFAOYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)[C@@H]1CCCC1(C)C)C(C)C ZINC001481353601 926965270 /nfs/dbraw/zinc/96/52/70/926965270.db2.gz LTADVCDQLBQCIT-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)CC ZINC001481384475 926971997 /nfs/dbraw/zinc/97/19/97/926971997.db2.gz VWMYSDPWQYFOHB-HRCADAONSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](F)CC ZINC001481384148 926973362 /nfs/dbraw/zinc/97/33/62/926973362.db2.gz RNRIPPUYTWMBBU-SOUVJXGZSA-N 1 1 296.430 3.012 20 30 CGEDMO C=CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](F)CC ZINC001481384148 926973370 /nfs/dbraw/zinc/97/33/70/926973370.db2.gz RNRIPPUYTWMBBU-SOUVJXGZSA-N 1 1 296.430 3.012 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)C(CC)CC)C1 ZINC001481392505 926975157 /nfs/dbraw/zinc/97/51/57/926975157.db2.gz JGYAGZXMAJASSS-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCC2(C)C)C1 ZINC001481448597 926988633 /nfs/dbraw/zinc/98/86/33/926988633.db2.gz ZJTGNTHZUAQZCC-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](CCNC(=O)C2(CC)CCCCC2)C1 ZINC001481462369 926992068 /nfs/dbraw/zinc/99/20/68/926992068.db2.gz RTSVKRQXRLMPFG-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](CC)CC(C)C)C1 ZINC001481530097 927017585 /nfs/dbraw/zinc/01/75/85/927017585.db2.gz MKFUDHCFRUGPOL-HZPDHXFCSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)CC(C)(C)C2CC2)C1 ZINC001481688751 927052768 /nfs/dbraw/zinc/05/27/68/927052768.db2.gz NKONOHCFCXVQFT-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)C2CC(C)(C)C2)C1 ZINC001481688226 927054205 /nfs/dbraw/zinc/05/42/05/927054205.db2.gz UWACAQQYHHOFKM-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1(C)CC1 ZINC001481674584 927055581 /nfs/dbraw/zinc/05/55/81/927055581.db2.gz NHFSPWNLYGJQRE-HOTGVXAUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[N@H+](C[C@H](C)CC(C)C)C1 ZINC001481689014 927059945 /nfs/dbraw/zinc/05/99/45/927059945.db2.gz MFOWYZDXLUTUEB-CVEARBPZSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)CCCC2CCCCC2)C1 ZINC001481749578 927077185 /nfs/dbraw/zinc/07/71/85/927077185.db2.gz AFDMZOVOQSWUJF-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccoc2C)C1 ZINC001481758034 927081576 /nfs/dbraw/zinc/08/15/76/927081576.db2.gz VQFQBTHXGRGVRX-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CCCCC(=O)N(CC)[C@H]1CC[N@H+](CCCC)C1 ZINC001481773648 927088448 /nfs/dbraw/zinc/08/84/48/927088448.db2.gz ZAWRSMNDLOQLFS-HNNXBMFYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N(C)CC[N@@H+](C)CC1CC(C)(C)C1 ZINC001482625473 927329814 /nfs/dbraw/zinc/32/98/14/927329814.db2.gz WUITYIWBFSMOAV-SFHVURJKSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H](C)C[NH2+]C/C(Cl)=C\Cl ZINC001483270119 927467947 /nfs/dbraw/zinc/46/79/47/927467947.db2.gz KIVGNPWLIBQKQE-VUBLIPMDSA-N 1 1 293.238 3.002 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@H](C)NC(=O)Cc1cccs1 ZINC001483305209 927477720 /nfs/dbraw/zinc/47/77/20/927477720.db2.gz CIQTWWDBWLAFEG-KBPBESRZSA-N 1 1 294.464 3.082 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)C(C)(C)C ZINC001483353243 927487594 /nfs/dbraw/zinc/48/75/94/927487594.db2.gz KPVFNWJVQLCKAD-UONOGXRCSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)c1occc1C(C)C ZINC001483377151 927493199 /nfs/dbraw/zinc/49/31/99/927493199.db2.gz QLUVVRZDSPYKNT-ZDUSSCGKSA-N 1 1 278.396 3.029 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc2[nH]ccc2c1 ZINC001483378141 927493313 /nfs/dbraw/zinc/49/33/13/927493313.db2.gz JJKZMURCWGUEPD-CQSZACIVSA-N 1 1 299.418 3.184 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc2[nH]ccc2c1 ZINC001483378140 927493671 /nfs/dbraw/zinc/49/36/71/927493671.db2.gz JJKZMURCWGUEPD-AWEZNQCLSA-N 1 1 299.418 3.184 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC001483388537 927495476 /nfs/dbraw/zinc/49/54/76/927495476.db2.gz MRILRQWFVKCBIR-ARFHVFGLSA-N 1 1 292.467 3.215 20 30 CGEDMO C#CCCCCC(=O)N[C@@H]1CCC[N@H+](CCCCC)[C@@H]1C ZINC001507372237 927503064 /nfs/dbraw/zinc/50/30/64/927503064.db2.gz JMADAAJFNAPTRK-IAGOWNOFSA-N 1 1 292.467 3.339 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@H]1CNC(=O)C1CCCC1 ZINC001483621131 927533619 /nfs/dbraw/zinc/53/36/19/927533619.db2.gz FQFWYDCAUWRBSI-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(Cl)c1 ZINC001483694670 927578656 /nfs/dbraw/zinc/57/86/56/927578656.db2.gz CXHJKQYXZQWVIN-OAHLLOKOSA-N 1 1 292.810 3.110 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)C1CCC=CCC1 ZINC001483703171 927579861 /nfs/dbraw/zinc/57/98/61/927579861.db2.gz VKHIWCLIVAUHJC-WBVHZDCISA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)CCC)C2)C1 ZINC001483837444 927635366 /nfs/dbraw/zinc/63/53/66/927635366.db2.gz HJBVDSXLXSGJTB-NVXWUHKLSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@]2(CCN(C(=O)CCC)C2)C1 ZINC001483837446 927635864 /nfs/dbraw/zinc/63/58/64/927635864.db2.gz HJBVDSXLXSGJTB-WBVHZDCISA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC1(C(=O)N(C)C2C[NH+](CC[C@H](C)F)C2)CCCC1 ZINC001483893892 927644762 /nfs/dbraw/zinc/64/47/62/927644762.db2.gz HFXIFCDMNNWBBO-AWEZNQCLSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H](CC)CCC)C[C@H]2C1 ZINC001484413584 927703165 /nfs/dbraw/zinc/70/31/65/927703165.db2.gz RLHNIULCCZPQNV-ZACQAIPSSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCCCC ZINC001484453350 927706249 /nfs/dbraw/zinc/70/62/49/927706249.db2.gz MVHZPVLUFUSVEC-CVEARBPZSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCCCF ZINC001484451979 927707264 /nfs/dbraw/zinc/70/72/64/927707264.db2.gz CHCSPRPKMGKSRY-CVEARBPZSA-N 1 1 296.430 3.158 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CCC2(C)CC2)CC1 ZINC001484723391 927742028 /nfs/dbraw/zinc/74/20/28/927742028.db2.gz GPWRVHBRBDQNGN-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)c1cc(C)ccc1F ZINC001484759893 927751637 /nfs/dbraw/zinc/75/16/37/927751637.db2.gz FAPXMPXTJBAONI-UHFFFAOYSA-N 1 1 292.398 3.104 20 30 CGEDMO C=C1CC(C)(C(=O)N(C)CCC[N@H+](C)CCC(C)C)C1 ZINC001484756920 927754188 /nfs/dbraw/zinc/75/41/88/927754188.db2.gz LURDEPJXOBAWRE-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)CCC)C(C)(C)C1 ZINC001484930480 927773134 /nfs/dbraw/zinc/77/31/34/927773134.db2.gz MNUPNXKCGZILMX-GJZGRUSLSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CCC)C(C)(C)C1 ZINC001484930483 927773771 /nfs/dbraw/zinc/77/37/71/927773771.db2.gz MNUPNXKCGZILMX-HUUCEWRRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)[C@@H](C)C1 ZINC001484969445 927778194 /nfs/dbraw/zinc/77/81/94/927778194.db2.gz WPUUXKOPCYAKPE-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@@H+](CC2CCC2)[C@@H](C)C1 ZINC001484971912 927778525 /nfs/dbraw/zinc/77/85/25/927778525.db2.gz JPKUDPCQHAZKLG-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]1C[N@H+](C)C[C@@H](C)CC ZINC001485058021 927798946 /nfs/dbraw/zinc/79/89/46/927798946.db2.gz HXONZAWLFHHYFT-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)C1(CC)CC1 ZINC001485069090 927799114 /nfs/dbraw/zinc/79/91/14/927799114.db2.gz LQWBAOVFVYYVHG-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001485300815 927844367 /nfs/dbraw/zinc/84/43/67/927844367.db2.gz GPTQQWZHWAUXHR-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)C1(CC=C)CCCC1 ZINC001485395359 927860268 /nfs/dbraw/zinc/86/02/68/927860268.db2.gz ZFSJNPIXXRRJOA-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)CC#Cc1cccc(Cl)c1 ZINC001473431390 937199680 /nfs/dbraw/zinc/19/96/80/937199680.db2.gz CHYDNBXIZRBXKN-UHFFFAOYSA-N 1 1 290.838 3.131 20 30 CGEDMO C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)CC ZINC001485481297 927879287 /nfs/dbraw/zinc/87/92/87/927879287.db2.gz BVKVHDQPGTVABG-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C[C@@H](CC)C(C)(C)C)C(C)(C)C1 ZINC001485581465 927891282 /nfs/dbraw/zinc/89/12/82/927891282.db2.gz DNCMBAOQCMLOSV-HUUCEWRRSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@](C)(F)CCCC)CC1 ZINC001485760911 927915024 /nfs/dbraw/zinc/91/50/24/927915024.db2.gz RPDYUQUZSXERTM-KRWDZBQOSA-N 1 1 298.446 3.404 20 30 CGEDMO C=CCCCCC[N@H+](C)C1CCN(C(=O)C(C)(C)F)CC1 ZINC001485749857 927917173 /nfs/dbraw/zinc/91/71/73/927917173.db2.gz VWUBWJGZAGLVDR-UHFFFAOYSA-N 1 1 298.446 3.404 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H](C)CCCC)CCC[C@H]12 ZINC001486152098 927989617 /nfs/dbraw/zinc/98/96/17/927989617.db2.gz NUVYZQBWKWKYFF-YQQAZPJKSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)[C@@H]1CC=CCC1)C(C)C ZINC001486362136 928005593 /nfs/dbraw/zinc/00/55/93/928005593.db2.gz GARYILSVLOVTKE-MRXNPFEDSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)C[C@@H]2CCC[C@@H]2C)CC1 ZINC001486510173 928030646 /nfs/dbraw/zinc/03/06/46/928030646.db2.gz VAPFRTHPGIFGOQ-RDJZCZTQSA-N 1 1 290.451 3.137 20 30 CGEDMO C[N@H+]1CCc2ccc(Nc3ccc(OCC#N)cc3)cc2C1 ZINC001212612174 928187564 /nfs/dbraw/zinc/18/75/64/928187564.db2.gz HSLLHTMDBVXVPG-UHFFFAOYSA-N 1 1 293.370 3.320 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCc2cc(O)ccc2C1 ZINC001171209577 928201579 /nfs/dbraw/zinc/20/15/79/928201579.db2.gz KVJZNWISQFJPKG-CQSZACIVSA-N 1 1 292.382 3.253 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCc2cc(O)ccc2C1 ZINC001171209576 928201610 /nfs/dbraw/zinc/20/16/10/928201610.db2.gz KVJZNWISQFJPKG-AWEZNQCLSA-N 1 1 292.382 3.253 20 30 CGEDMO C#CC[N@@H+](C[C@@H]1CC[C@H](c2ccccc2)O1)C(C)C ZINC001198027652 928269970 /nfs/dbraw/zinc/26/99/70/928269970.db2.gz RNDMUOUYVRZLAD-DLBZAZTESA-N 1 1 257.377 3.250 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)CC2CCCC2)C1 ZINC001494880182 928274001 /nfs/dbraw/zinc/27/40/01/928274001.db2.gz YZWRZAKCOULBQT-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)/C=C/C(C)(C)C)C1 ZINC001494891339 928276995 /nfs/dbraw/zinc/27/69/95/928276995.db2.gz YQKYIWYIXFSLAR-YBHKSSGVSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C(C)C)[C@H]1CC ZINC001489134724 928316411 /nfs/dbraw/zinc/31/64/11/928316411.db2.gz IFVLENZZZYKYDH-HRCADAONSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)C(CC)(CC)CC ZINC001493145558 928329270 /nfs/dbraw/zinc/32/92/70/928329270.db2.gz ADWJCKOPRUAUOK-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1CC[N@@H+](CCF)CC(C)(C)C1 ZINC001489347641 928329293 /nfs/dbraw/zinc/32/92/93/928329293.db2.gz OYAZLBUBGZWLCD-LSDHHAIUSA-N 1 1 298.446 3.165 20 30 CGEDMO C=C(C)CCC(=O)N1CCCC[C@H]1C[N@H+](C)C(C)C ZINC001489326031 928330482 /nfs/dbraw/zinc/33/04/82/928330482.db2.gz KHQZIUSFVSTSBZ-HNNXBMFYSA-N 1 1 266.429 3.064 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)C1CC(C)(C)C1 ZINC001490185994 928335514 /nfs/dbraw/zinc/33/55/14/928335514.db2.gz AFODPUXUVMAAEJ-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)CC(C)(C)C)CC1 ZINC001490399605 928353937 /nfs/dbraw/zinc/35/39/37/928353937.db2.gz YRVTVUICFOYQSU-UHFFFAOYSA-N 1 1 286.847 3.098 20 30 CGEDMO C=CCC[N@@H+](CC)CCCNC(=O)c1ccc(F)cc1C ZINC001490355163 928354616 /nfs/dbraw/zinc/35/46/16/928354616.db2.gz FACHHBKZJWPHEE-UHFFFAOYSA-N 1 1 292.398 3.152 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C2(CC(C)C)CCC2)C1 ZINC001490443778 928357623 /nfs/dbraw/zinc/35/76/23/928357623.db2.gz UKGUUYIJQLGNQB-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001492825536 937242117 /nfs/dbraw/zinc/24/21/17/937242117.db2.gz ULHRVDNGESCYIO-WKILWMFISA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H](C)C2CC2)C1 ZINC001317753546 928396429 /nfs/dbraw/zinc/39/64/29/928396429.db2.gz GVKDPHRKKNBTPK-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCCC[NH+]1CC(NC(=O)CC2CCCC2)C1 ZINC001317995469 928413088 /nfs/dbraw/zinc/41/30/88/928413088.db2.gz PXRFQSJFUIXYBT-UHFFFAOYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC(=O)N(C)[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001318385764 928434108 /nfs/dbraw/zinc/43/41/08/928434108.db2.gz JGJJCKSJOZGEGA-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)CCCCC)CC[C@H]21 ZINC001320093988 928489139 /nfs/dbraw/zinc/48/91/39/928489139.db2.gz BXZZGWIICWCFDR-LSDHHAIUSA-N 1 1 298.858 3.242 20 30 CGEDMO N#C[C@H]1CC[C@H]([NH2+]Cc2c(F)cc(Cl)cc2F)C1 ZINC001254643951 928779174 /nfs/dbraw/zinc/77/91/74/928779174.db2.gz SGWBQQZWGWOYQP-WPRPVWTQSA-N 1 1 270.710 3.400 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]2C[N@@H+](CCCC)CC[C@H]21 ZINC001490983435 928822105 /nfs/dbraw/zinc/82/21/05/928822105.db2.gz GBQDEGHNYLAEMW-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C=C(CC)CC)C1 ZINC001490988076 928822675 /nfs/dbraw/zinc/82/26/75/928822675.db2.gz ZBLLCRROKWOYJW-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]2C[N@@H+](CCCC)CC[C@@H]21 ZINC001490985470 928824266 /nfs/dbraw/zinc/82/42/66/928824266.db2.gz ZRFGPNDEDFSEQA-IRXDYDNUSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H]2CCCC[N@H+]2CC2CCC2)C1 ZINC001491220148 928843741 /nfs/dbraw/zinc/84/37/41/928843741.db2.gz BOPYHXOPTHAEKA-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CC2CCC2)C1 ZINC001491291440 928855112 /nfs/dbraw/zinc/85/51/12/928855112.db2.gz XVVRHXQCCFMGPZ-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[C@H](CC)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001448567171 937375947 /nfs/dbraw/zinc/37/59/47/937375947.db2.gz WNHJJXPXMDKLHS-HOCLYGCPSA-N 1 1 278.440 3.254 20 30 CGEDMO C[N@H+]1CCC[C@H]1CSc1nc2c(cc1C#N)CCCC2 ZINC001458916928 937476373 /nfs/dbraw/zinc/47/63/73/937476373.db2.gz YSBMNLKDCYUUAU-AWEZNQCLSA-N 1 1 287.432 3.018 20 30 CGEDMO CC[C@H](C)[N@@H+](CCO[C@H](C)C#N)CCc1ccccc1F ZINC001459384209 937486677 /nfs/dbraw/zinc/48/66/77/937486677.db2.gz DZDQILLYUBCCKM-LSDHHAIUSA-N 1 1 292.398 3.397 20 30 CGEDMO C#CC[NH+](CC#C)Cc1ccc(C2CCCC2)cc1 ZINC001459527419 937490121 /nfs/dbraw/zinc/49/01/21/937490121.db2.gz LOSFCCAUTWZAJH-UHFFFAOYSA-N 1 1 251.373 3.413 20 30 CGEDMO C#CCOCC[N@@H+]1CCC[C@@H]1[C@@H](CC)c1ccccc1 ZINC001459662868 937495078 /nfs/dbraw/zinc/49/50/78/937495078.db2.gz QFFVPOOQEFLJEK-ZWKOTPCHSA-N 1 1 271.404 3.294 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2C[C@H](C)C[C@@H]2CC)cc1 ZINC001459634210 937495184 /nfs/dbraw/zinc/49/51/84/937495184.db2.gz DWRCGLJQWJQKGX-PBHICJAKSA-N 1 1 284.403 3.117 20 30 CGEDMO CC#CC[N@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC001459619927 937493824 /nfs/dbraw/zinc/49/38/24/937493824.db2.gz GRGQOOITQAEHGN-GOSISDBHSA-N 1 1 253.389 3.380 20 30 CGEDMO C=CC[C@H](C(=O)OC)[N@@H+](CCC)CCc1cccs1 ZINC001459908607 937505931 /nfs/dbraw/zinc/50/59/31/937505931.db2.gz PLSHGQZGZGKBJU-CQSZACIVSA-N 1 1 281.421 3.120 20 30 CGEDMO C[N@H+](Cc1ccc(F)c(Cl)c1)Cc1cncc(C#N)c1 ZINC001459953332 937508171 /nfs/dbraw/zinc/50/81/71/937508171.db2.gz KNWGEPHSZRWMDX-UHFFFAOYSA-N 1 1 289.741 3.378 20 30 CGEDMO C[N@@H+](Cc1ccc(F)c(Cl)c1)Cc1cncc(C#N)c1 ZINC001459953332 937508173 /nfs/dbraw/zinc/50/81/73/937508173.db2.gz KNWGEPHSZRWMDX-UHFFFAOYSA-N 1 1 289.741 3.378 20 30 CGEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@H]2CC2CCCC2)CCC1 ZINC001460313275 937526639 /nfs/dbraw/zinc/52/66/39/937526639.db2.gz BBHPTWHIIMGRRB-IRXDYDNUSA-N 1 1 290.451 3.476 20 30 CGEDMO C#CCC[N@H+]1CCC[C@H]2O[C@@H](c3ccccc3)C[C@H]21 ZINC001460336838 937527071 /nfs/dbraw/zinc/52/70/71/937527071.db2.gz WNTZMKDBHCOCOV-BRWVUGGUSA-N 1 1 255.361 3.004 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](C[C@@](C)(O)c2ccc(F)cc2)C1 ZINC001460359595 937528338 /nfs/dbraw/zinc/52/83/38/937528338.db2.gz HELROXNRAFBSOJ-WMLDXEAASA-N 1 1 277.383 3.321 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)[C@H](C)C1 ZINC001140117858 931955694 /nfs/dbraw/zinc/95/56/94/931955694.db2.gz AFJGGGHAGDDMMR-DOMZBBRYSA-N 1 1 283.375 3.039 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1[C@@H](CC)C(=O)N(C)c1ccc(C)cc1 ZINC001460902532 937551878 /nfs/dbraw/zinc/55/18/78/937551878.db2.gz AXJNNMRAUNPMDK-IRXDYDNUSA-N 1 1 286.419 3.387 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1occc1Cl ZINC001158437763 931980489 /nfs/dbraw/zinc/98/04/89/931980489.db2.gz BXEMZUDGOBZRJP-GFCCVEGCSA-N 1 1 296.798 3.046 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)C(C)(C)C(C)C ZINC001329452044 932001572 /nfs/dbraw/zinc/00/15/72/932001572.db2.gz YENBHJDIIJNEKQ-HUUCEWRRSA-N 1 1 282.472 3.460 20 30 CGEDMO N#Cc1cc(F)cc(C[N@@H+]2CCc3ccccc3C2)c1 ZINC000163530927 932003495 /nfs/dbraw/zinc/00/34/95/932003495.db2.gz ZXZONEPSWKGWOZ-UHFFFAOYSA-N 1 1 266.319 3.256 20 30 CGEDMO N#Cc1cc(F)cc(C[N@H+]2CCc3ccccc3C2)c1 ZINC000163530927 932003502 /nfs/dbraw/zinc/00/35/02/932003502.db2.gz ZXZONEPSWKGWOZ-UHFFFAOYSA-N 1 1 266.319 3.256 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCC[C@@H](C3CCCC3)C2)c1 ZINC001460948024 937555609 /nfs/dbraw/zinc/55/56/09/937555609.db2.gz MPRLERMEGITTGN-QGZVFWFLSA-N 1 1 269.392 3.355 20 30 CGEDMO C=CC[C@H](C(=O)OC)[N@@H+]1CCc2cc(C(C)C)ccc2C1 ZINC001460976789 937556908 /nfs/dbraw/zinc/55/69/08/937556908.db2.gz GTKAIXZMINWQBD-QGZVFWFLSA-N 1 1 287.403 3.286 20 30 CGEDMO C=CC[C@H](C(=O)OC)[N@H+]1CCc2cc(C(C)C)ccc2C1 ZINC001460976789 937556909 /nfs/dbraw/zinc/55/69/09/937556909.db2.gz GTKAIXZMINWQBD-QGZVFWFLSA-N 1 1 287.403 3.286 20 30 CGEDMO C=CCc1ccc(O)c(O[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001229338999 932135967 /nfs/dbraw/zinc/13/59/67/932135967.db2.gz SNBVHIOGQUPDBM-OAHLLOKOSA-N 1 1 275.392 3.372 20 30 CGEDMO N#Cc1ccc(CNC[C@@H]2CC[N@@H+]2C2CCCCCC2)cc1 ZINC001461697910 937592810 /nfs/dbraw/zinc/59/28/10/937592810.db2.gz CEZQJBSPYWOLFU-IBGZPJMESA-N 1 1 297.446 3.445 20 30 CGEDMO N#Cc1ccc(CNC[C@@H]2CC[N@H+]2C2CCCCCC2)cc1 ZINC001461697910 937592811 /nfs/dbraw/zinc/59/28/11/937592811.db2.gz CEZQJBSPYWOLFU-IBGZPJMESA-N 1 1 297.446 3.445 20 30 CGEDMO C[N@H+]1CC[C@@H](Oc2ccccc2/C=N/c2ccccc2O)C1 ZINC001229933014 932505151 /nfs/dbraw/zinc/50/51/51/932505151.db2.gz KZGCKKUCNZDIHC-IYSPOMMRSA-N 1 1 296.370 3.226 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC)CC1 ZINC001230485451 932577270 /nfs/dbraw/zinc/57/72/70/932577270.db2.gz GHTDXRIEXIJGTM-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCCC)CC1 ZINC001230513310 932580587 /nfs/dbraw/zinc/58/05/87/932580587.db2.gz PPJHTUVHAMPRBQ-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C[C@H](Oc1ccc2[nH+]c(N)[nH]c2c1)c1ccccc1 ZINC001230518340 932582254 /nfs/dbraw/zinc/58/22/54/932582254.db2.gz PLVAFMSOOATLJD-HNNXBMFYSA-N 1 1 265.316 3.451 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)/C=C(\C)CC)CC1 ZINC001230557894 932587827 /nfs/dbraw/zinc/58/78/27/932587827.db2.gz SUCFFXCFLVQJNN-ZWKQNVPVSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccco1 ZINC001230588454 932594732 /nfs/dbraw/zinc/59/47/32/932594732.db2.gz PQZUMIWTKYAYKY-HNNXBMFYSA-N 1 1 290.407 3.172 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)F ZINC001230614871 932598433 /nfs/dbraw/zinc/59/84/33/932598433.db2.gz SXMLPQQMLRJTOR-CQSZACIVSA-N 1 1 286.435 3.238 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C)o1 ZINC001230658531 932605019 /nfs/dbraw/zinc/60/50/19/932605019.db2.gz BKLCSKLMTNZADO-DZGCQCFKSA-N 1 1 290.407 3.089 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CCC(C)C ZINC001230730391 932616260 /nfs/dbraw/zinc/61/62/60/932616260.db2.gz CVFOOCXZRAEKFT-CVEARBPZSA-N 1 1 280.456 3.310 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)CCCCC ZINC001230782298 932623735 /nfs/dbraw/zinc/62/37/35/932623735.db2.gz TVAHGQRPYLNJDU-HNNXBMFYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCOc1ccccc1[C@H](C)Oc1[nH+][nH]cc2nncc1-2 ZINC001230902114 932638499 /nfs/dbraw/zinc/63/84/99/932638499.db2.gz YRKIYBWOPLHISB-NSHDSACASA-N 1 1 296.330 3.058 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C=C1CCCCC1 ZINC001231043701 932664741 /nfs/dbraw/zinc/66/47/41/932664741.db2.gz SKLUMNNTBPBBSO-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CC[N@H+](C)CC(CC)(CC)CNC(=O)OC(C)(C)C ZINC001462120631 937618614 /nfs/dbraw/zinc/61/86/14/937618614.db2.gz PBQDVGDRDAVDDC-UHFFFAOYSA-N 1 1 284.444 3.435 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)C[C@H](OC)C1CC1 ZINC001462190386 937624075 /nfs/dbraw/zinc/62/40/75/937624075.db2.gz MGRIEFJBJJCNAF-KRWDZBQOSA-N 1 1 259.393 3.490 20 30 CGEDMO CC(C)OC[C@@H](O)C[N@@H+](CCC#N)C1CCCCCCC1 ZINC001252675027 932722062 /nfs/dbraw/zinc/72/20/62/932722062.db2.gz ZZYXLMVDIBCLDG-KRWDZBQOSA-N 1 1 296.455 3.101 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C2(CC)CC2)[C@H]1C ZINC001332208385 932734525 /nfs/dbraw/zinc/73/45/25/932734525.db2.gz VXZNAVSXXCFNNB-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)c1cocc1C ZINC001316599110 932743757 /nfs/dbraw/zinc/74/37/57/932743757.db2.gz AOHBMJVBICFBJP-LSDHHAIUSA-N 1 1 290.407 3.089 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](CC)C(C)(C)C ZINC001316606478 932746839 /nfs/dbraw/zinc/74/68/39/932746839.db2.gz OIXHOGGJSAQCLG-HZPDHXFCSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@H](C)C1CCCCC1 ZINC001316604068 932747198 /nfs/dbraw/zinc/74/71/98/932747198.db2.gz RNMLEOXTWQMRGA-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)C(=C)C)C1 ZINC001491945629 932798748 /nfs/dbraw/zinc/79/87/48/932798748.db2.gz YVEWKALKRXWPFN-OAHLLOKOSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)CC=C(C)C)C1 ZINC001491942884 932798932 /nfs/dbraw/zinc/79/89/32/932798932.db2.gz HXVPBSUVBRTZPK-INIZCTEOSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](CNC(=O)C[C@H](CC)C(C)C)C1 ZINC001493253725 932813108 /nfs/dbraw/zinc/81/31/08/932813108.db2.gz DYPYPKUYFVKCGR-CVEARBPZSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)c1cccc(C)c1Cl ZINC001492460901 932818997 /nfs/dbraw/zinc/81/89/97/932818997.db2.gz OZHOLIZSYGZCKY-UHFFFAOYSA-N 1 1 294.826 3.276 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H](C)[NH2+]C/C(Cl)=C/Cl ZINC001317271059 932825056 /nfs/dbraw/zinc/82/50/56/932825056.db2.gz LRAOORYNORFMDP-PAKSIRSJSA-N 1 1 293.238 3.002 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](C/C=C\Cl)[C@@H]1CC ZINC001316735262 932858310 /nfs/dbraw/zinc/85/83/10/932858310.db2.gz DLLAYTMJDMFZLS-MHVKHXTKSA-N 1 1 298.858 3.310 20 30 CGEDMO C#CCCCCCC[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC001307503960 932962569 /nfs/dbraw/zinc/96/25/69/932962569.db2.gz AEKLUJKFVPWVGZ-HNNXBMFYSA-N 1 1 279.424 3.234 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C[C@@H]1CCCC12CCOCC2)C1CC1 ZINC001307643198 932978607 /nfs/dbraw/zinc/97/86/07/932978607.db2.gz KFQVLDLHFDFLKC-CABCVRRESA-N 1 1 276.424 3.207 20 30 CGEDMO N#Cc1ccc(C2=CC[N@H+](Cc3cccc(F)n3)CC2)cc1 ZINC001307646657 932980957 /nfs/dbraw/zinc/98/09/57/932980957.db2.gz MDWVTCVMFTZQPU-UHFFFAOYSA-N 1 1 293.345 3.382 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3cccc(F)n3)CC2)cc1 ZINC001307646657 932980962 /nfs/dbraw/zinc/98/09/62/932980962.db2.gz MDWVTCVMFTZQPU-UHFFFAOYSA-N 1 1 293.345 3.382 20 30 CGEDMO C#CCOCC[N@H+](C)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001307844660 933007736 /nfs/dbraw/zinc/00/77/36/933007736.db2.gz RTXUNOGAXXRZDZ-QZTJIDSGSA-N 1 1 271.404 3.294 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@H](C)[C@@H]1C(=O)OC(C)(C)C ZINC001307860853 933010380 /nfs/dbraw/zinc/01/03/80/933010380.db2.gz SDIRVXMSNPWAPQ-UONOGXRCSA-N 1 1 267.413 3.395 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@H]1CC(=O)OC(C)(C)C ZINC001307900426 933016753 /nfs/dbraw/zinc/01/67/53/933016753.db2.gz HIKNYBBPXPDPCN-LBPRGKRZSA-N 1 1 273.804 3.325 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@H]1CC(=O)OC(C)(C)C ZINC001307900426 933016760 /nfs/dbraw/zinc/01/67/60/933016760.db2.gz HIKNYBBPXPDPCN-LBPRGKRZSA-N 1 1 273.804 3.325 20 30 CGEDMO C=CC[N@@H+](C[C@@H]1CC[C@@H](c2ccccc2)O1)[C@H](C)COC ZINC001307925076 933021449 /nfs/dbraw/zinc/02/14/49/933021449.db2.gz WZZSLEZRBPZFPP-NJAFHUGGSA-N 1 1 289.419 3.430 20 30 CGEDMO C#CCC[N@H+](CCOC)CC[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001307955604 933025987 /nfs/dbraw/zinc/02/59/87/933025987.db2.gz CNDZGGKLKOVXKH-FVQHAEBGSA-N 1 1 265.441 3.421 20 30 CGEDMO C=CCCCCC[N@H+]1CCC(F)(F)[C@H](C(=O)OCC)C1 ZINC001307971833 933027120 /nfs/dbraw/zinc/02/71/20/933027120.db2.gz KKHIWFRNGDIKGE-ZDUSSCGKSA-N 1 1 289.366 3.253 20 30 CGEDMO CC1(C[N@H+]2CCC[C@@H](Nc3ccc(C#N)cn3)C2)CCC1 ZINC001462596638 937652327 /nfs/dbraw/zinc/65/23/27/937652327.db2.gz QFGMXWJSXRHUOC-OAHLLOKOSA-N 1 1 284.407 3.020 20 30 CGEDMO C=CCCC[N@H+](CC)CC(=O)Nc1cccc(C)c1 ZINC001308134229 933055179 /nfs/dbraw/zinc/05/51/79/933055179.db2.gz OJNIEFNMPGTPBK-UHFFFAOYSA-N 1 1 260.381 3.222 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1[C@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC001308142823 933056642 /nfs/dbraw/zinc/05/66/42/933056642.db2.gz WXLPUALRBWEWBI-IRXDYDNUSA-N 1 1 298.430 3.368 20 30 CGEDMO C#CC[N@H+](C)Cc1cc2nc(Cl)ccc2s1 ZINC001462622375 937654750 /nfs/dbraw/zinc/65/47/50/937654750.db2.gz DIZXOPZNYBFMQW-UHFFFAOYSA-N 1 1 250.754 3.015 20 30 CGEDMO C#CC[N@H+](C)Cc1cc2ccnc(Cl)c2s1 ZINC001462623724 937654876 /nfs/dbraw/zinc/65/48/76/937654876.db2.gz PWKVWHRUTWVCGG-UHFFFAOYSA-N 1 1 250.754 3.015 20 30 CGEDMO C=CCOc1cccc(CNC[C@@H](CC)[NH+]2CCCC2)c1 ZINC001308194938 933070268 /nfs/dbraw/zinc/07/02/68/933070268.db2.gz RYZRTMFZGKWVTN-QGZVFWFLSA-N 1 1 288.435 3.215 20 30 CGEDMO C=CC[N@@H+](CC1(c2ccc3c(c2)OCO3)CC1)C(C)C ZINC001308585842 933138222 /nfs/dbraw/zinc/13/82/22/933138222.db2.gz RDLSCQOIQJKVAE-UHFFFAOYSA-N 1 1 273.376 3.343 20 30 CGEDMO CCn1ccc(C[N@H+](CC)[C@@H](C)c2ccc(C#N)cc2)n1 ZINC001308618581 933143544 /nfs/dbraw/zinc/14/35/44/933143544.db2.gz IEPUZLICFVVZGU-AWEZNQCLSA-N 1 1 282.391 3.358 20 30 CGEDMO CCn1ccc(C[N@@H+](CC)[C@@H](C)c2ccc(C#N)cc2)n1 ZINC001308618581 933143547 /nfs/dbraw/zinc/14/35/47/933143547.db2.gz IEPUZLICFVVZGU-AWEZNQCLSA-N 1 1 282.391 3.358 20 30 CGEDMO C=CCC[C@H]([NH2+][C@@H]1CCC[C@H](CC)C1)C(=O)OCC ZINC001308770446 933173540 /nfs/dbraw/zinc/17/35/40/933173540.db2.gz VZMNBYVDYKJXHU-ZNMIVQPWSA-N 1 1 267.413 3.443 20 30 CGEDMO C=C(C)C[C@H]([NH2+]C[C@@H]1CCC[C@H](CC)C1)C(=O)OC ZINC001308901811 933199385 /nfs/dbraw/zinc/19/93/85/933199385.db2.gz NKACTRDMSNIPOZ-ZNMIVQPWSA-N 1 1 267.413 3.300 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC[C@@H](C3CCOCC3)C2)cc1 ZINC001308953387 933212077 /nfs/dbraw/zinc/21/20/77/933212077.db2.gz VTCYCPPHMRASIZ-LJQANCHMSA-N 1 1 283.415 3.307 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)CCC ZINC001317511073 933305467 /nfs/dbraw/zinc/30/54/67/933305467.db2.gz ZKSDAADPMJBNKZ-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC(C)(C)NC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC001311689464 933310536 /nfs/dbraw/zinc/31/05/36/933310536.db2.gz OQMCZBLXUPZNIT-GJZGRUSLSA-N 1 1 295.471 3.151 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](CCCC)C(C)C ZINC001317514609 933319161 /nfs/dbraw/zinc/31/91/61/933319161.db2.gz XTCYRRHRCXLZAJ-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C)C(C)C)C1 ZINC001317042439 933467309 /nfs/dbraw/zinc/46/73/09/933467309.db2.gz KRLPPKMAFFYINV-IRXDYDNUSA-N 1 1 294.483 3.415 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)CCC)CC(C)(C)C1 ZINC001316808596 933467407 /nfs/dbraw/zinc/46/74/07/933467407.db2.gz WXSJPCDBFZIOCQ-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCC(C)C)C1 ZINC001317100726 933472079 /nfs/dbraw/zinc/47/20/79/933472079.db2.gz KYVOWUTZQXHYKB-IRXDYDNUSA-N 1 1 292.467 3.312 20 30 CGEDMO CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)CCC(C)(C)C)[C@H]1C ZINC001316796125 933482538 /nfs/dbraw/zinc/48/25/38/933482538.db2.gz FBNZVQFYUXPANM-XHSDSOJGSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)CCCF)CC(C)(C)C1 ZINC001316811270 933485584 /nfs/dbraw/zinc/48/55/84/933485584.db2.gz KTUWTXHVRQSHJB-HNNXBMFYSA-N 1 1 298.446 3.309 20 30 CGEDMO C=CC[N@H+](C)CCCNC(=O)[C@H](C)c1cccc(Cl)c1 ZINC001316866266 933487027 /nfs/dbraw/zinc/48/70/27/933487027.db2.gz IRAUVMFBVJBLHZ-CYBMUJFWSA-N 1 1 294.826 3.068 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCCNC(=O)C1C(C)(C)C1(C)C ZINC001316888343 933489296 /nfs/dbraw/zinc/48/92/96/933489296.db2.gz SBAJWHADDJBCGK-UHFFFAOYSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC[N@H+](CC)CCCNC(=O)[C@@H]1CCCC[C@@H]1CC ZINC001316904230 933492088 /nfs/dbraw/zinc/49/20/88/933492088.db2.gz KAVBBKFWKFFLMO-JKSUJKDBSA-N 1 1 280.456 3.217 20 30 CGEDMO CC#CC[N@H+](CC)CCCNC(=O)[C@@H]1CCC[C@@H]1CCC ZINC001316896932 933492455 /nfs/dbraw/zinc/49/24/55/933492455.db2.gz VUKMMWKRBNBQNV-DLBZAZTESA-N 1 1 292.467 3.054 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)[C@H]1CCCC[C@@H]1CC)C1CC1 ZINC001316929714 933497225 /nfs/dbraw/zinc/49/72/25/933497225.db2.gz HOUOWLXUVKTIFL-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC001316940474 933500339 /nfs/dbraw/zinc/50/03/39/933500339.db2.gz QZOVPLXWXFECLA-JGZYNSJSSA-N 1 1 298.430 3.247 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2)C1 ZINC001316940475 933500462 /nfs/dbraw/zinc/50/04/62/933500462.db2.gz QZOVPLXWXFECLA-RLGIIYIFSA-N 1 1 298.430 3.247 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001316955424 933502517 /nfs/dbraw/zinc/50/25/17/933502517.db2.gz RPCBYOGBHZJSHG-HOTGVXAUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H](C[N@@H+](C)CCC2CC2)C1 ZINC001317039258 933518095 /nfs/dbraw/zinc/51/80/95/933518095.db2.gz PKBCFCMANVZJDX-KRWDZBQOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC)c1ccccc1 ZINC001317099839 933531347 /nfs/dbraw/zinc/53/13/47/933531347.db2.gz CUSJYFSDWHUZCG-HQSKLWIPSA-N 1 1 298.430 3.088 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)CC)C1 ZINC001317135093 933536227 /nfs/dbraw/zinc/53/62/27/933536227.db2.gz GKTNWJUGBVRFHS-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H](CC)CC(C)C)C1 ZINC001317145288 933542489 /nfs/dbraw/zinc/54/24/89/933542489.db2.gz YVXAISQPHWMXOC-IAGOWNOFSA-N 1 1 294.483 3.463 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCCCCC)C1 ZINC001317208595 933555254 /nfs/dbraw/zinc/55/52/54/933555254.db2.gz ZKSHBVWGTTVUKK-IAGOWNOFSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2cccs2)C1 ZINC001317517114 933609105 /nfs/dbraw/zinc/60/91/05/933609105.db2.gz JVASYUXKVYJTIS-UONOGXRCSA-N 1 1 292.448 3.155 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001317520403 933610593 /nfs/dbraw/zinc/61/05/93/933610593.db2.gz MLXDKDHFJHIBJJ-HNNXBMFYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](CCNC(=O)c2ccc(Cl)s2)C1 ZINC001317808383 933654665 /nfs/dbraw/zinc/65/46/65/933654665.db2.gz GDKPJUCMODQRNN-LLVKDONJSA-N 1 1 298.839 3.029 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)C(C)C)C1 ZINC001317851778 933658681 /nfs/dbraw/zinc/65/86/81/933658681.db2.gz AMYCNPBPDXGGSX-HZPDHXFCSA-N 1 1 280.456 3.025 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC)CC(C)C)C1 ZINC001317857128 933658984 /nfs/dbraw/zinc/65/89/84/933658984.db2.gz OJTQAVBBCKXKOL-IRXDYDNUSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCCCCC[NH+]1CC(NC(=O)[C@@H]2CCC[C@@H](C)C2)C1 ZINC001318058578 933680233 /nfs/dbraw/zinc/68/02/33/933680233.db2.gz XZHYFHMLIGAQAW-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC001318268554 933703455 /nfs/dbraw/zinc/70/34/55/933703455.db2.gz AJDFOTXQEWRRSF-RDJZCZTQSA-N 1 1 298.430 3.077 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2(CCC)CCC2)C1 ZINC001318269111 933704592 /nfs/dbraw/zinc/70/45/92/933704592.db2.gz KOMXNOVMXMXIQZ-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@H+](CC/C=C\CC)C1 ZINC001318351171 933710669 /nfs/dbraw/zinc/71/06/69/933710669.db2.gz CHWLNLLINZQAMX-KUBOQAQJSA-N 1 1 278.440 3.136 20 30 CGEDMO C#Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](CCCCC)C2)cc1 ZINC001318421810 933721025 /nfs/dbraw/zinc/72/10/25/933721025.db2.gz FVGYPSBCOGLEPP-SFHVURJKSA-N 1 1 298.430 3.004 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)CC(C)C)C1 ZINC001318443224 933727316 /nfs/dbraw/zinc/72/73/16/933727316.db2.gz UDFRNNOMZMYATQ-OAHLLOKOSA-N 1 1 280.456 3.168 20 30 CGEDMO CC(C)C(C#N)=CNNc1cccc(C(F)(F)F)[nH+]1 ZINC001319381315 933866316 /nfs/dbraw/zinc/86/63/16/933866316.db2.gz QFWDQBLKNUNOKQ-VIFPVBQESA-N 1 1 270.258 3.294 20 30 CGEDMO C=CCC1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CCCC1 ZINC001467990311 937723556 /nfs/dbraw/zinc/72/35/56/937723556.db2.gz FHLAUSSBIISFMY-JKSUJKDBSA-N 1 1 290.451 3.256 20 30 CGEDMO C=CCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)c1ccccc1 ZINC001468644503 937730363 /nfs/dbraw/zinc/73/03/63/937730363.db2.gz VFRVTBNJGXJQRB-SJORKVTESA-N 1 1 284.403 3.223 20 30 CGEDMO C#CC[N@@H+](Cc1cccc(Cl)c1F)CC1CC1 ZINC001319726985 933923488 /nfs/dbraw/zinc/92/34/88/933923488.db2.gz LWSCKJIXCPKNHR-UHFFFAOYSA-N 1 1 251.732 3.324 20 30 CGEDMO C#CC[N@H+](Cc1cccc(Cl)c1F)CC1CC1 ZINC001319726985 933923490 /nfs/dbraw/zinc/92/34/90/933923490.db2.gz LWSCKJIXCPKNHR-UHFFFAOYSA-N 1 1 251.732 3.324 20 30 CGEDMO CCN1CCC[C@H](C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC001319925413 933958849 /nfs/dbraw/zinc/95/88/49/933958849.db2.gz MJVWCPKIUIRUPD-VQIMIIECSA-N 1 1 297.446 3.257 20 30 CGEDMO C[C@H](C#N)C[N@H+](CCc1ccc(F)cc1F)C1CC1 ZINC001319988692 933973279 /nfs/dbraw/zinc/97/32/79/933973279.db2.gz GEMUHXXQOVSXCS-LLVKDONJSA-N 1 1 264.319 3.131 20 30 CGEDMO C[C@H](C#N)C[N@@H+](CCc1ccc(F)cc1F)C1CC1 ZINC001319988692 933973287 /nfs/dbraw/zinc/97/32/87/933973287.db2.gz GEMUHXXQOVSXCS-LLVKDONJSA-N 1 1 264.319 3.131 20 30 CGEDMO C=CCC1(C(=O)N(C)CC[N@H+](C)C[C@@H](C)CC)CCC1 ZINC001320043334 933984551 /nfs/dbraw/zinc/98/45/51/933984551.db2.gz SWRZYUTWTATAFA-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC001320086342 933994261 /nfs/dbraw/zinc/99/42/61/933994261.db2.gz LRZPSRQCWQXVAN-ZDUSSCGKSA-N 1 1 269.747 3.256 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC001320086342 933994267 /nfs/dbraw/zinc/99/42/67/933994267.db2.gz LRZPSRQCWQXVAN-ZDUSSCGKSA-N 1 1 269.747 3.256 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2CN(C(=O)CCCCCC)CC[C@@H]21 ZINC001320115931 934004210 /nfs/dbraw/zinc/00/42/10/934004210.db2.gz QTGCLGRLHHVTCX-HOTGVXAUSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCCCC)CC[C@@H]21 ZINC001320115927 934004235 /nfs/dbraw/zinc/00/42/35/934004235.db2.gz QTGCLGRLHHVTCX-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCO[C@H]1CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC001320160831 934010293 /nfs/dbraw/zinc/01/02/93/934010293.db2.gz RWTPYJCJGSDIRC-HIFRSBDPSA-N 1 1 290.363 3.241 20 30 CGEDMO CCCCCCCCNC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC001469355343 937738644 /nfs/dbraw/zinc/73/86/44/937738644.db2.gz SUBPXZSQMLFRAD-GJZGRUSLSA-N 1 1 295.471 3.271 20 30 CGEDMO C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC001470388991 937752074 /nfs/dbraw/zinc/75/20/74/937752074.db2.gz QREWCZQLOQOUCW-ARFHVFGLSA-N 1 1 295.471 3.149 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001322246883 934263850 /nfs/dbraw/zinc/26/38/50/934263850.db2.gz BAENAKJHGZHHOC-NCOADZHNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC2CCC1CC2 ZINC001322305399 934274909 /nfs/dbraw/zinc/27/49/09/934274909.db2.gz DVYZRKBZKDUUNW-ZGRYLRDCSA-N 1 1 292.467 3.215 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001323285859 934378719 /nfs/dbraw/zinc/37/87/19/934378719.db2.gz AKVWGTCUPRASFC-LTIDMASMSA-N 1 1 292.467 3.193 20 30 CGEDMO C#CC[N@H+](CCNC(=O)C(CC)CC)C1CCCCCC1 ZINC001323708969 934419755 /nfs/dbraw/zinc/41/97/55/934419755.db2.gz QREQVWVTWOJOGP-UHFFFAOYSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC(C)=C(C)C)C2)C1 ZINC001323812031 934426817 /nfs/dbraw/zinc/42/68/17/934426817.db2.gz IEZTZKKVVJJCCB-GOSISDBHSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCCCC(=O)N1CC[C@@]2(CC[N@H+](CC[C@H](C)F)C2)C1 ZINC001323860762 934432986 /nfs/dbraw/zinc/43/29/86/934432986.db2.gz VMVJZFPZXONMSI-DOTOQJQBSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC001324489362 934513816 /nfs/dbraw/zinc/51/38/16/934513816.db2.gz VYLVCYFWULGLTK-HNNXBMFYSA-N 1 1 265.784 3.159 20 30 CGEDMO C=CC[C@@H]([NH2+]C1CCC(C(C)C)CC1)C(=O)OCC ZINC001324624626 934534198 /nfs/dbraw/zinc/53/41/98/934534198.db2.gz IVEWOIPSAHGPDS-YMAMQOFZSA-N 1 1 267.413 3.299 20 30 CGEDMO C[C@H](CNc1cc(F)ccc1C#N)[N@H+]1CCCC[C@H]1C ZINC001472657252 937779423 /nfs/dbraw/zinc/77/94/23/937779423.db2.gz KKSSEVIYHNBPCP-CHWSQXEVSA-N 1 1 275.371 3.372 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H](COC)C(C)C ZINC001473131460 937793596 /nfs/dbraw/zinc/79/35/96/937793596.db2.gz CCWIZSVKKWFGLO-GOSISDBHSA-N 1 1 286.419 3.465 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC001473304371 937801439 /nfs/dbraw/zinc/80/14/39/937801439.db2.gz NMXAZMAZYHXHEH-ZDUSSCGKSA-N 1 1 299.773 3.135 20 30 CGEDMO C=C(CC)C[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1C ZINC001473321816 937801929 /nfs/dbraw/zinc/80/19/29/937801929.db2.gz RROBDINGHFDRGN-KBPBESRZSA-N 1 1 282.428 3.282 20 30 CGEDMO CC[C@H](C)[C@H](C)[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC001473348411 937802418 /nfs/dbraw/zinc/80/24/18/937802418.db2.gz SNFLXPBDRCFDHX-GRDNDAEWSA-N 1 1 272.392 3.366 20 30 CGEDMO CC(C)c1nc(C[NH2+]CC(C)(C)CC#N)cs1 ZINC001325021143 934883558 /nfs/dbraw/zinc/88/35/58/934883558.db2.gz FYTLFWJDHMBJPT-UHFFFAOYSA-N 1 1 251.399 3.296 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC(C)C)C2 ZINC001325338595 934905694 /nfs/dbraw/zinc/90/56/94/934905694.db2.gz DRBMFRFORLZDBH-BBWFWOEESA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCCCC)C2 ZINC001325611151 934920213 /nfs/dbraw/zinc/92/02/13/934920213.db2.gz ATYABACDLXSJMC-MUJYYYPQSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC(C)C ZINC001325920756 934938964 /nfs/dbraw/zinc/93/89/64/934938964.db2.gz MGSRJUGWTBBXII-HZPDHXFCSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](CCC)C(C)C ZINC001325925397 934939500 /nfs/dbraw/zinc/93/95/00/934939500.db2.gz ZRWZHWZCHGKBKO-YESZJQIVSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](C[C@H]2Cc3cc(OC)ccc3O2)C1 ZINC001473627476 937814593 /nfs/dbraw/zinc/81/45/93/937814593.db2.gz LAHCWADJZHQZGO-RHSMWYFYSA-N 1 1 287.403 3.287 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](CCOCc2ccccc2)C1 ZINC001473626976 937814657 /nfs/dbraw/zinc/81/46/57/937814657.db2.gz BFTPMOZBXDUZAW-MRXNPFEDSA-N 1 1 259.393 3.491 20 30 CGEDMO Cc1ncsc1CCC[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC001473707002 937818320 /nfs/dbraw/zinc/81/83/20/937818320.db2.gz GJZYIWGBBAGFLP-STQMWFEESA-N 1 1 263.410 3.008 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1CCC[N@H+](CCCC(C)C)CC1 ZINC001327111840 935030419 /nfs/dbraw/zinc/03/04/19/935030419.db2.gz HQNCNSCWNMFQLC-QGZVFWFLSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@](C)(C=C)CC)CC1 ZINC001327149100 935036754 /nfs/dbraw/zinc/03/67/54/935036754.db2.gz XTIWSOGPEUAAQD-RDJZCZTQSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)[C@H]1CC=CCC1 ZINC001327188582 935042053 /nfs/dbraw/zinc/04/20/53/935042053.db2.gz MASPWAOHYNYNIF-INIZCTEOSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)CC(C)(C)C=C)cc2C1 ZINC001327686295 935077008 /nfs/dbraw/zinc/07/70/08/935077008.db2.gz ZANNRQUEWSDXOV-UHFFFAOYSA-N 1 1 298.430 3.407 20 30 CGEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)CC(C)(C)C=C)cc2C1 ZINC001327686295 935077015 /nfs/dbraw/zinc/07/70/15/935077015.db2.gz ZANNRQUEWSDXOV-UHFFFAOYSA-N 1 1 298.430 3.407 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)CCCC)C(C)(C)C1 ZINC001328080574 935115285 /nfs/dbraw/zinc/11/52/85/935115285.db2.gz GXRHVEFVKKULSR-JKSUJKDBSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2cccc3c[nH]nc32)C1 ZINC001328264559 935126300 /nfs/dbraw/zinc/12/63/00/935126300.db2.gz PXXLOYFMMFJMKH-ZDUSSCGKSA-N 1 1 255.365 3.351 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CC(CC)CC)C[C@@H]1C ZINC001328282080 935128012 /nfs/dbraw/zinc/12/80/12/935128012.db2.gz XRGGKCCYTGNICY-GOEBONIOSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)c1cc(C)oc1C ZINC001328703828 935161081 /nfs/dbraw/zinc/16/10/81/935161081.db2.gz NUYNBVFRSGHZPH-HNNXBMFYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)c1oc(C)cc1C ZINC001328721286 935162918 /nfs/dbraw/zinc/16/29/18/935162918.db2.gz ZLXIZQZWMCNXCL-HNNXBMFYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H](C)[N@@H+](C)CCc1ccccc1 ZINC001329451150 935217087 /nfs/dbraw/zinc/21/70/87/935217087.db2.gz RABGJHGEGNWTTQ-MRXNPFEDSA-N 1 1 288.435 3.022 20 30 CGEDMO C#CC[N@H+](C)[C@@H](C)CNC(=O)c1ccc(C2CCCC2)cc1 ZINC001329488555 935220167 /nfs/dbraw/zinc/22/01/67/935220167.db2.gz MHRYTHMWZJUIBV-HNNXBMFYSA-N 1 1 298.430 3.028 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccsc1 ZINC001329515300 935222308 /nfs/dbraw/zinc/22/23/08/935222308.db2.gz MHRLZGLPJZGOPA-KGLIPLIRSA-N 1 1 294.464 3.287 20 30 CGEDMO C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)C[C@@H]1C=CCCC1 ZINC001329924571 935255048 /nfs/dbraw/zinc/25/50/48/935255048.db2.gz XHRUUOVUHDMKFR-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)CCCC#CC)[C@H]1C ZINC001332198737 935449109 /nfs/dbraw/zinc/44/91/09/935449109.db2.gz KWRFLJYHVWSBFI-SJORKVTESA-N 1 1 290.451 3.115 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CCC[N@H+](CCC(C)C)[C@H]1C ZINC001332199301 935449250 /nfs/dbraw/zinc/44/92/50/935449250.db2.gz OGLVUGSTKHGFFL-GJZGRUSLSA-N 1 1 280.456 3.214 20 30 CGEDMO C#CC[N@H+](CCc1c(F)cccc1Cl)C(C)C ZINC001473817142 937823182 /nfs/dbraw/zinc/82/31/82/937823182.db2.gz PSDHEJWHOKXSEJ-UHFFFAOYSA-N 1 1 253.748 3.365 20 30 CGEDMO N#Cc1c(N)sc2c1CC[N@H+](CC13CCC(CC1)C3)C2 ZINC001473858395 937825093 /nfs/dbraw/zinc/82/50/93/937825093.db2.gz PNRMTIQQWXFTEQ-UHFFFAOYSA-N 1 1 287.432 3.140 20 30 CGEDMO C=CCCC[N@H+](CC)CCOc1cccc([N+](=O)[O-])c1 ZINC001473861760 937825825 /nfs/dbraw/zinc/82/58/25/937825825.db2.gz KHDIHUZCUYRQKB-UHFFFAOYSA-N 1 1 278.352 3.262 20 30 CGEDMO C=CCCCC[N@H+]1CCOc2cc(C(=O)OC)ccc2C1 ZINC001473874415 937826476 /nfs/dbraw/zinc/82/64/76/937826476.db2.gz HKENWFSBOQDGNR-UHFFFAOYSA-N 1 1 289.375 3.024 20 30 CGEDMO C#CC[C@@H]([NH2+]Cc1c(Cl)ncn1CC)c1ccccc1 ZINC001474075532 937838893 /nfs/dbraw/zinc/83/88/93/937838893.db2.gz NNYOTFCBJKHROR-CQSZACIVSA-N 1 1 287.794 3.411 20 30 CGEDMO N#CCc1ccc(C[NH2+]Cc2nc3cc(F)ccc3o2)cc1 ZINC001474192033 937843221 /nfs/dbraw/zinc/84/32/21/937843221.db2.gz HFOAWZHRCRTGIJ-UHFFFAOYSA-N 1 1 295.317 3.323 20 30 CGEDMO C[N@@H+](Cc1ccc(O)cc1)Cc1ccc(C#N)c(F)c1 ZINC001474501543 937863065 /nfs/dbraw/zinc/86/30/65/937863065.db2.gz WPCSKFHSSFUKNW-UHFFFAOYSA-N 1 1 270.307 3.035 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC[C@H](N(C)c3ccccc3)C2)cc1 ZINC001474644903 937873009 /nfs/dbraw/zinc/87/30/09/937873009.db2.gz FHWGLYMYZNNERY-FQEVSTJZSA-N 1 1 290.410 3.379 20 30 CGEDMO CC[C@H](C)[C@H](C[N@@H+](C)CCc1cccc(C#N)c1)OC ZINC001474674050 937874433 /nfs/dbraw/zinc/87/44/33/937874433.db2.gz BQFCIUWKHCOSIV-YOEHRIQHSA-N 1 1 274.408 3.094 20 30 CGEDMO C[C@@H]([NH2+]Cc1cccc(C#N)n1)c1cc(F)ccc1N(C)C ZINC001474760096 937879616 /nfs/dbraw/zinc/87/96/16/937879616.db2.gz GNTPOICDVAYBAO-GFCCVEGCSA-N 1 1 298.365 3.009 20 30 CGEDMO CCCCCCC[C@H](C)CNC(=O)NC[C@H]1CCC[N@H+]1C ZINC001477551203 937895987 /nfs/dbraw/zinc/89/59/87/937895987.db2.gz MANOONZPZWAGLR-JKSUJKDBSA-N 1 1 297.487 3.376 20 30 CGEDMO CC#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(CC)CC ZINC001479234520 937917907 /nfs/dbraw/zinc/91/79/07/937917907.db2.gz FUCCYEXNLDTPLH-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CC=C)c1ccccc1 ZINC001479272352 937918932 /nfs/dbraw/zinc/91/89/32/937918932.db2.gz UFTDBYLHNULRHR-ROUUACIJSA-N 1 1 298.430 3.065 20 30 CGEDMO C=CC[C@H](C(=O)N(C)C[C@@H]1CC[N@H+]1CC=C)c1ccccc1 ZINC001479272352 937918934 /nfs/dbraw/zinc/91/89/34/937918934.db2.gz UFTDBYLHNULRHR-ROUUACIJSA-N 1 1 298.430 3.065 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)CC=CCC2)[C@H]1C ZINC001479707268 937923938 /nfs/dbraw/zinc/92/39/38/937923938.db2.gz TYNUQDXZGDGMPO-RYRKJORJSA-N 1 1 290.451 3.278 20 30 CGEDMO CC(C)CCC[N@H+]1CC[C@H](NC(=O)C#CC(C)(C)C)[C@H]1C ZINC001479706098 937924298 /nfs/dbraw/zinc/92/42/98/937924298.db2.gz LBNWJRBFHNFNBW-CVEARBPZSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C/C=C(\C)C=C ZINC001479739284 937924892 /nfs/dbraw/zinc/92/48/92/937924892.db2.gz WURWQWPYGXWIIP-YTBHAWNYSA-N 1 1 290.451 3.398 20 30 CGEDMO CC(C)C#CC(=O)NCCC[N@@H+](CCC(C)(C)C)C1CC1 ZINC001479868508 937928022 /nfs/dbraw/zinc/92/80/22/937928022.db2.gz GJBQWVDCORNFOW-UHFFFAOYSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)CCCC ZINC001480089617 937932202 /nfs/dbraw/zinc/93/22/02/937932202.db2.gz DJCQEWPHGQWBOR-YESZJQIVSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)CCCC ZINC001480089617 937932203 /nfs/dbraw/zinc/93/22/03/937932203.db2.gz DJCQEWPHGQWBOR-YESZJQIVSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)=C1CCC1 ZINC001480318083 937936042 /nfs/dbraw/zinc/93/60/42/937936042.db2.gz PNMCISBLTUFMDF-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CC=CC2)C1 ZINC001480379733 937937497 /nfs/dbraw/zinc/93/74/97/937937497.db2.gz ZKTYHCVVSJYQMU-NVXWUHKLSA-N 1 1 290.451 3.136 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)CCC)C1 ZINC001480385054 937938293 /nfs/dbraw/zinc/93/82/93/937938293.db2.gz YQURHQZWHZLCEO-HOTGVXAUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](CCC)C(C)C)C1 ZINC001480735848 937943249 /nfs/dbraw/zinc/94/32/49/937943249.db2.gz KWXITISVJWNCIU-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CC12CCC2 ZINC001480830162 937945644 /nfs/dbraw/zinc/94/56/44/937945644.db2.gz TXTDBWPGUIKZDP-HZPDHXFCSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H]1CNC(=O)C1CCC(=C)CC1 ZINC001493132527 937947986 /nfs/dbraw/zinc/94/79/86/937947986.db2.gz NILNRCVUDHWSLL-KRWDZBQOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)C(C)(C)C)C1 ZINC001493214529 937948539 /nfs/dbraw/zinc/94/85/39/937948539.db2.gz YRNXTVYVQBPOON-GJZGRUSLSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)CC(C)C)C1 ZINC001493250894 937948896 /nfs/dbraw/zinc/94/88/96/937948896.db2.gz ANVANYMDAUEGAT-HNNXBMFYSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC=CCC2)C1 ZINC001493985937 937952769 /nfs/dbraw/zinc/95/27/69/937952769.db2.gz OYBUXXJVLPDSDJ-IAGOWNOFSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001494048694 937953018 /nfs/dbraw/zinc/95/30/18/937953018.db2.gz KOMDGTGRSVKHSU-MRXNPFEDSA-N 1 1 294.483 3.463 20 30 CGEDMO C#CCCCCC(=O)N1CC[C@@H](C[N@H+](C)C[C@@H](C)CC)C1 ZINC001494125243 937953368 /nfs/dbraw/zinc/95/33/68/937953368.db2.gz MWEGRWYMUMUASZ-IRXDYDNUSA-N 1 1 292.467 3.006 20 30 CGEDMO CCCCC[N@@H+](C)C[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001494133408 937953416 /nfs/dbraw/zinc/95/34/16/937953416.db2.gz RQRSOSSQIDTBTE-INIZCTEOSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CC[N@H+](C)CC1CCN(C(=O)c2ccc(C)s2)CC1 ZINC001494187146 937953819 /nfs/dbraw/zinc/95/38/19/937953819.db2.gz IQYYONOPNYBPHR-UHFFFAOYSA-N 1 1 292.448 3.027 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@@H](C[N@@H+](C)CCC(=C)C)C1 ZINC001494161811 937953826 /nfs/dbraw/zinc/95/38/26/937953826.db2.gz PWNOUWUWAPILSL-INIZCTEOSA-N 1 1 292.467 3.335 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H](NC(=O)CCCC2CC2)C1 ZINC001494324327 937954435 /nfs/dbraw/zinc/95/44/35/937954435.db2.gz PKIHWBRTRBFGBK-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC(C)(C)C(=O)NC1C[NH+](CCC2=CCCCC2)C1 ZINC001494455713 937954874 /nfs/dbraw/zinc/95/48/74/937954874.db2.gz FQLWJDUBPPVUEV-UHFFFAOYSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)/C=C\C(C)(C)C)C1 ZINC001494891336 937956886 /nfs/dbraw/zinc/95/68/86/937956886.db2.gz YQKYIWYIXFSLAR-DMIOIOJGSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](CCC)CC(C)C)C1 ZINC001494873404 937957062 /nfs/dbraw/zinc/95/70/62/937957062.db2.gz AXDKBAFBCSCZLD-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)CC1(C)CCCC1 ZINC001496696794 937963697 /nfs/dbraw/zinc/96/36/97/937963697.db2.gz QSBWNHDXQSMBMM-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)C(C)(C)C1CC1 ZINC001496766537 937963919 /nfs/dbraw/zinc/96/39/19/937963919.db2.gz FVVNCOCZHBVZLR-CQSZACIVSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]1CCC ZINC001496734470 937964090 /nfs/dbraw/zinc/96/40/90/937964090.db2.gz SRPLPEXJFXEXLG-HZPDHXFCSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CCCC3CC3)CC[C@H]21 ZINC001496863570 937964470 /nfs/dbraw/zinc/96/44/70/937964470.db2.gz OWSOUFDYEGOJBX-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@H](C)NC(=O)C(C)(C)C(C)C ZINC001498295532 937968796 /nfs/dbraw/zinc/96/87/96/937968796.db2.gz UISAOLKPYXFZIZ-GJZGRUSLSA-N 1 1 282.472 3.460 20 30 CGEDMO C#Cc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)[C@H](C)CCC=C)cc1 ZINC001498355270 937969306 /nfs/dbraw/zinc/96/93/06/937969306.db2.gz HYMVMTSMFKCJHV-JKSUJKDBSA-N 1 1 298.430 3.073 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)c1ccccc1Cl ZINC001498435836 937969689 /nfs/dbraw/zinc/96/96/89/937969689.db2.gz FSIMUOIYOLLIAV-ZDUSSCGKSA-N 1 1 294.826 3.356 20 30 CGEDMO C=CCC1(C(=O)N[C@H](C)C[N@H+](C)C[C@H](F)CC)CCCC1 ZINC001498468622 937969736 /nfs/dbraw/zinc/96/97/36/937969736.db2.gz DMRUKDCPZNKYEV-HUUCEWRRSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CC[N@@H+]2CC[C@@H](C)F)CCCC1 ZINC001499139388 937972884 /nfs/dbraw/zinc/97/28/84/937972884.db2.gz XCHQLNMKCOQSPJ-CABCVRRESA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CCC)CCC1 ZINC001500148745 937976052 /nfs/dbraw/zinc/97/60/52/937976052.db2.gz CBGALENIXZMVMN-CVEARBPZSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@]1(C)CC[N@@H+](CCC(=C)C)C1 ZINC001500250466 937976616 /nfs/dbraw/zinc/97/66/16/937976616.db2.gz BYNWVZLFZQOGAV-WBVHZDCISA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)C=C(C)C)C1 ZINC001500472782 937977453 /nfs/dbraw/zinc/97/74/53/937977453.db2.gz YYSWPNQPUONXNC-KRWDZBQOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](C)C2CCCC2)C1 ZINC001500547501 937978118 /nfs/dbraw/zinc/97/81/18/937978118.db2.gz WUDJTCDWJMXKGM-CRAIPNDOSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC(C)(C)CC ZINC001501386662 937979582 /nfs/dbraw/zinc/97/95/82/937979582.db2.gz LYLHCYFEZGSKRZ-HZPDHXFCSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)CC1=CCCCC1 ZINC001502166684 937981893 /nfs/dbraw/zinc/98/18/93/937981893.db2.gz FOKJDCOCHZBURM-UHFFFAOYSA-N 1 1 278.440 3.233 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)[C@@]1(C)CCC[C@H]1C ZINC001502371174 937982064 /nfs/dbraw/zinc/98/20/64/937982064.db2.gz BVQXUCZGIIXZDH-WBVHZDCISA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[C@H]1CC ZINC001502371440 937982092 /nfs/dbraw/zinc/98/20/92/937982092.db2.gz KXWBOHQAXCPJCJ-CVEARBPZSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)C[C@H](C)C3CC3)cc2C1 ZINC001502653687 937982860 /nfs/dbraw/zinc/98/28/60/937982860.db2.gz OWJUWMHVGIWKRZ-AWEZNQCLSA-N 1 1 298.430 3.241 20 30 CGEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)C[C@H](C)C3CC3)cc2C1 ZINC001502653687 937982861 /nfs/dbraw/zinc/98/28/61/937982861.db2.gz OWJUWMHVGIWKRZ-AWEZNQCLSA-N 1 1 298.430 3.241 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CCCCC)C[C@@H]1C ZINC001502903901 937983550 /nfs/dbraw/zinc/98/35/50/937983550.db2.gz VSJLQSXRDKQLKP-LSDHHAIUSA-N 1 1 266.429 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C(C)(CC)CC)C[C@@H]1C ZINC001503013391 937984028 /nfs/dbraw/zinc/98/40/28/937984028.db2.gz FLBROQSDPOVAPB-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C)CCC ZINC001505424809 937985343 /nfs/dbraw/zinc/98/53/43/937985343.db2.gz VIZKMFBKSCPMHH-JSGCOSHPSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C)CCC ZINC001505424809 937985344 /nfs/dbraw/zinc/98/53/44/937985344.db2.gz VIZKMFBKSCPMHH-JSGCOSHPSA-N 1 1 286.847 3.098 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1ccccc1C ZINC001505860902 937987399 /nfs/dbraw/zinc/98/73/99/937987399.db2.gz DKGYBYKNRDWNBD-JKSUJKDBSA-N 1 1 288.435 3.400 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)CCCC1CCCC1 ZINC001506065310 937989172 /nfs/dbraw/zinc/98/91/72/937989172.db2.gz MVPAJSVDZNTZBJ-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1ccc(F)s1 ZINC001506069953 937989321 /nfs/dbraw/zinc/98/93/21/937989321.db2.gz ZEORJKHURDHYCJ-VXGBXAGGSA-N 1 1 298.427 3.292 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)C[C@H](C)CCC ZINC001506560288 937990652 /nfs/dbraw/zinc/99/06/52/937990652.db2.gz HZAHGYRFNONXGO-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCCCC[N@H+]1CCC1CC1 ZINC001506566216 937990783 /nfs/dbraw/zinc/99/07/83/937990783.db2.gz VYMNCBQYWQNFKY-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@H+]1C[C@H](NC(=O)C[C@@H]2C=CCC2)C(C)(C)C1 ZINC001506727434 937991507 /nfs/dbraw/zinc/99/15/07/937991507.db2.gz IJQLDPQYJSYJJB-CVEARBPZSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(C)C)C(C)(C)C1 ZINC001506740009 937991689 /nfs/dbraw/zinc/99/16/89/937991689.db2.gz NURQOWOQRAURBH-CQSZACIVSA-N 1 1 280.456 3.071 20 30 CGEDMO C=C/C(C)=C/CC(=O)N1CC2(C1)CCC[N@H+](CC(=C)C)C2 ZINC001506866425 937992157 /nfs/dbraw/zinc/99/21/57/937992157.db2.gz PSDQVLCPJHEHEG-FRKPEAEDSA-N 1 1 288.435 3.009 20 30 CGEDMO C#CC[N@H+](C)CCN(C(=O)[C@H]1CCC[C@@H]1CCC)C(C)C ZINC001507812971 937996946 /nfs/dbraw/zinc/99/69/46/937996946.db2.gz JHRFBOCKJVCVKF-IRXDYDNUSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)C2(CC)CC2)CC1 ZINC001508064990 937998214 /nfs/dbraw/zinc/99/82/14/937998214.db2.gz NZHJABCVPLWCQY-CYBMUJFWSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C[C@@H](CC)CC(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC001527310424 938060999 /nfs/dbraw/zinc/06/09/99/938060999.db2.gz MGKMOBWGTVSJDS-LBPRGKRZSA-N 1 1 257.337 3.184 20 30 CGEDMO C#Cc1cccc(N(C(=O)[C@H]2CCC[N@H+]2C(C)C)C(C)C)c1 ZINC001528199230 938066111 /nfs/dbraw/zinc/06/61/11/938066111.db2.gz MXXZSOSWGHXBSE-GOSISDBHSA-N 1 1 298.430 3.282 20 30 CGEDMO C=CCOc1ccc(OC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC001530874576 938079915 /nfs/dbraw/zinc/07/99/15/938079915.db2.gz DQQHJNLWTXSJGA-INIZCTEOSA-N 1 1 289.375 3.030 20 30 CGEDMO C=CCOc1ccc(OC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001530874576 938079916 /nfs/dbraw/zinc/07/99/16/938079916.db2.gz DQQHJNLWTXSJGA-INIZCTEOSA-N 1 1 289.375 3.030 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC001534730611 938097560 /nfs/dbraw/zinc/09/75/60/938097560.db2.gz SEKJMAXZPIDPCS-OAHLLOKOSA-N 1 1 288.435 3.225 20 30 CGEDMO CCC#C[C@H](C)[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC001559638671 938231481 /nfs/dbraw/zinc/23/14/81/938231481.db2.gz JMXRDJJFCDJFCG-AWEZNQCLSA-N 1 1 279.387 3.454 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](CCC(=O)NCC2CCCCC2)C1 ZINC001559982943 938240951 /nfs/dbraw/zinc/24/09/51/938240951.db2.gz APWIDQHLOLDBLK-QGZVFWFLSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Cl)cc1OC)[C@H](C)COC ZINC001559992608 938241334 /nfs/dbraw/zinc/24/13/34/938241334.db2.gz DNVXCYMDVURLLR-GFCCVEGCSA-N 1 1 283.799 3.372 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC001560024352 938241950 /nfs/dbraw/zinc/24/19/50/938241950.db2.gz GJXXMPDUNRLNON-CVEARBPZSA-N 1 1 251.414 3.216 20 30 CGEDMO CCC#C[C@H](C)[N@@H+]1C[C@@H](C(=O)OC(C)(C)C)[C@H](C2CC2)C1 ZINC001560129775 938244657 /nfs/dbraw/zinc/24/46/57/938244657.db2.gz DJPCEPLHKXDVOA-CWRNSKLLSA-N 1 1 291.435 3.088 20 30 CGEDMO C#CC[N@H+](C[C@@H](C)OC)[C@@H]1CCCc2ccccc21 ZINC001560172219 938245833 /nfs/dbraw/zinc/24/58/33/938245833.db2.gz QSCIXTUNWYSXTM-RHSMWYFYSA-N 1 1 257.377 3.034 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)OCCCC ZINC001560199695 938246841 /nfs/dbraw/zinc/24/68/41/938246841.db2.gz BAYNNCGFXFIHLH-UONOGXRCSA-N 1 1 253.386 3.149 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC001560206592 938246980 /nfs/dbraw/zinc/24/69/80/938246980.db2.gz CCVKVTNVIJMBIW-NSHDSACASA-N 1 1 266.728 3.399 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC001560206592 938246981 /nfs/dbraw/zinc/24/69/81/938246981.db2.gz CCVKVTNVIJMBIW-NSHDSACASA-N 1 1 266.728 3.399 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1[C@@H]1CCCN(c2ccc(C)cc2)C1=O ZINC001560205454 938247164 /nfs/dbraw/zinc/24/71/64/938247164.db2.gz BNIQXUYDKMROGR-DOTOQJQBSA-N 1 1 284.403 3.141 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@]2(CO)c2ccccc2)c1 ZINC001560231474 938248139 /nfs/dbraw/zinc/24/81/39/938248139.db2.gz UPIOWARNLVTVAQ-IBGZPJMESA-N 1 1 292.382 3.042 20 30 CGEDMO N#CCSCCC[N@H+]1CC=CC12CCCCC2 ZINC001560236451 938248518 /nfs/dbraw/zinc/24/85/18/938248518.db2.gz NYCOBTKDDDIKHC-UHFFFAOYSA-N 1 1 250.411 3.208 20 30 CGEDMO Cc1cc(C[NH2+]Cc2cc(F)cnc2Cl)ccc1C#N ZINC001560489366 938260409 /nfs/dbraw/zinc/26/04/09/938260409.db2.gz LXGZQYQFUVJVNS-UHFFFAOYSA-N 1 1 289.741 3.344 20 30 CGEDMO Cc1ccc2[nH]c(NCc3cc(C#N)cs3)[nH+]c2c1 ZINC001560569876 938263400 /nfs/dbraw/zinc/26/34/00/938263400.db2.gz MBSZFRZXDSUPPQ-UHFFFAOYSA-N 1 1 268.345 3.417 20 30 CGEDMO Cc1cc(C2OCCO2)c(C)cc1C[N@@H+](C)[C@H](C)CC#N ZINC001560657637 938268567 /nfs/dbraw/zinc/26/85/67/938268567.db2.gz UDFNAMUDDKFUIQ-CQSZACIVSA-N 1 1 288.391 3.083 20 30 CGEDMO Cc1cc(C2OCCO2)c(C)cc1C[N@H+](C)[C@H](C)CC#N ZINC001560657637 938268569 /nfs/dbraw/zinc/26/85/69/938268569.db2.gz UDFNAMUDDKFUIQ-CQSZACIVSA-N 1 1 288.391 3.083 20 30 CGEDMO CC[N@@H+](Cc1ccc(Cl)cc1O)C[C@@H](C)C#N ZINC001560693285 938270903 /nfs/dbraw/zinc/27/09/03/938270903.db2.gz CEHGUXYPNKPEGD-JTQLQIEISA-N 1 1 252.745 3.027 20 30 CGEDMO CC[N@H+](Cc1ccc(Cl)cc1O)C[C@@H](C)C#N ZINC001560693285 938270904 /nfs/dbraw/zinc/27/09/04/938270904.db2.gz CEHGUXYPNKPEGD-JTQLQIEISA-N 1 1 252.745 3.027 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)C[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001560700052 938271179 /nfs/dbraw/zinc/27/11/79/938271179.db2.gz KSCBNRFTYOKMDN-PKOBYXMFSA-N 1 1 295.430 3.254 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCNC(=O)CC1(C)CCCCC1 ZINC001480889250 957689112 /nfs/dbraw/zinc/68/91/12/957689112.db2.gz SIPBOVGCKKTKIU-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C=CCCC[N@H+](CC)CCNC(=O)c1c(C)cccc1C ZINC001481001010 957700647 /nfs/dbraw/zinc/70/06/47/957700647.db2.gz LIRIJAZWLHWXSB-UHFFFAOYSA-N 1 1 288.435 3.321 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)C=C1CCCCC1 ZINC001482583457 957731781 /nfs/dbraw/zinc/73/17/81/957731781.db2.gz IZFQGHBGKGRCPI-UHFFFAOYSA-N 1 1 278.440 3.233 20 30 CGEDMO C[C@@H](c1ccccc1)[N@@H+](C[C@H](O)CC#N)C1CCCC1 ZINC000930435684 958801829 /nfs/dbraw/zinc/80/18/29/958801829.db2.gz QXYDTYWLYVYNJW-WMLDXEAASA-N 1 1 272.392 3.267 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)c1cc(Cl)c[nH]1)C(C)C ZINC001571609254 960472951 /nfs/dbraw/zinc/47/29/51/960472951.db2.gz ABGGVGPJBZIXEX-UHFFFAOYSA-N 1 1 297.830 3.027 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)/C(C)=C\C)C1 ZINC001566734958 960570780 /nfs/dbraw/zinc/57/07/80/960570780.db2.gz FICCJILFRGCSQV-OBHDYHNASA-N 1 1 278.440 3.089 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[C@H](C[N@@H+](C)CC(C)C)C1 ZINC001567736819 960599304 /nfs/dbraw/zinc/59/93/04/960599304.db2.gz PSGKQTRKPUTMNK-NVXWUHKLSA-N 1 1 280.456 3.025 20 30 CGEDMO CCCCCCCCNC(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC001564372970 960638388 /nfs/dbraw/zinc/63/83/88/960638388.db2.gz KHBNZLXHOCSFST-MRXNPFEDSA-N 1 1 297.487 3.329 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)/C(C)=C\CC)C(C)(C)[C@H]21 ZINC001565993592 960866667 /nfs/dbraw/zinc/86/66/67/960866667.db2.gz UCNSUMHIDNOILE-LBKMJPPLSA-N 1 1 290.451 3.134 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCC)C[C@@H]2C1 ZINC001566037234 960872140 /nfs/dbraw/zinc/87/21/40/960872140.db2.gz HUFSKTZJWDNYFN-SJORKVTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](C)CC ZINC001566119422 960894712 /nfs/dbraw/zinc/89/47/12/960894712.db2.gz INOLEEDCTYDEDG-JSGCOSHPSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](C)CC ZINC001566119422 960894731 /nfs/dbraw/zinc/89/47/31/960894731.db2.gz INOLEEDCTYDEDG-JSGCOSHPSA-N 1 1 286.847 3.098 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](CC(=C)C)CC(C)(C)C1 ZINC001566131916 960898905 /nfs/dbraw/zinc/89/89/05/960898905.db2.gz SCUWPVYOSMGSNB-HNNXBMFYSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCCNC(=O)c1cc(C)c(C)o1 ZINC001566547628 960946789 /nfs/dbraw/zinc/94/67/89/960946789.db2.gz ZLKYQYAMCCNEIA-UHFFFAOYSA-N 1 1 292.423 3.304 20 30 CGEDMO C=C(C)C[N@@H+](CCCNC(=O)[C@@H]1CCCC12CC2)C1CC1 ZINC001566590674 960966225 /nfs/dbraw/zinc/96/62/25/960966225.db2.gz STSRBCHJNNGHQM-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001566577062 960966318 /nfs/dbraw/zinc/96/63/18/960966318.db2.gz KZKFKOZSGUDTNN-FVQHAEBGSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[N@@H+](CCCNC(=O)[C@H]1CCCC12CC2)C1CC1 ZINC001566590675 960966610 /nfs/dbraw/zinc/96/66/10/960966610.db2.gz STSRBCHJNNGHQM-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001566626252 960973687 /nfs/dbraw/zinc/97/36/87/960973687.db2.gz GDASQHYYBQOJQT-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)C=C2CCC2)C1 ZINC001566619285 960979522 /nfs/dbraw/zinc/97/95/22/960979522.db2.gz FIPLRGDXCCXHKM-GOEBONIOSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)C2(CC)CC2)C1 ZINC001566672158 960979737 /nfs/dbraw/zinc/97/97/37/960979737.db2.gz IHHYIESCHHMPLP-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@@H+](Cc2sccc2Cl)C1 ZINC001566658489 960980876 /nfs/dbraw/zinc/98/08/76/960980876.db2.gz ZTMSOTCENQUCCA-NSHDSACASA-N 1 1 298.839 3.058 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@H+](Cc2sccc2Cl)C1 ZINC001566658489 960980889 /nfs/dbraw/zinc/98/08/89/960980889.db2.gz ZTMSOTCENQUCCA-NSHDSACASA-N 1 1 298.839 3.058 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C1CC1 ZINC001566754622 961008820 /nfs/dbraw/zinc/00/88/20/961008820.db2.gz LRJNUGJLOFYMFL-IYBDPMFKSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H]2CCC[N@H+](CCCCC)C2)C1 ZINC001566877559 961041458 /nfs/dbraw/zinc/04/14/58/961041458.db2.gz AGKFMPMIKFFLTQ-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCCC[N@H+]1CCCC[C@H]1CNC(=O)C1CCCC1 ZINC001566916585 961051193 /nfs/dbraw/zinc/05/11/93/961051193.db2.gz PMYOROLNMUJOEG-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@](C)(F)CCCC ZINC001566922645 961055358 /nfs/dbraw/zinc/05/53/58/961055358.db2.gz BDWHQJSLLLZTAQ-NVXWUHKLSA-N 1 1 298.446 3.452 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001566963265 961067911 /nfs/dbraw/zinc/06/79/11/961067911.db2.gz RVULMFHFAYRHDW-ZBFHGGJFSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]([N@H+](C)CCCC)C1 ZINC001567199110 961140127 /nfs/dbraw/zinc/14/01/27/961140127.db2.gz SWCGURBGXHBIFM-NVXWUHKLSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@](C)(F)CCCC)C1 ZINC001567196030 961140159 /nfs/dbraw/zinc/14/01/59/961140159.db2.gz WBPSHXVKOUXVCL-GOEBONIOSA-N 1 1 284.419 3.014 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)/C=C(/C)C1CC1 ZINC001567246770 961156428 /nfs/dbraw/zinc/15/64/28/961156428.db2.gz IQIKIQRSXDMTDH-XUZQSEFNSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[N@H+](C)[C@@H](C)c1ccccc1C ZINC001567297532 961268817 /nfs/dbraw/zinc/26/88/17/961268817.db2.gz YBKLRQVKBJLAII-HNNXBMFYSA-N 1 1 288.435 3.316 20 30 CGEDMO C=CCCC(=O)NCC[N@H+](CC)[C@H](C)c1cccc(F)c1 ZINC001567327466 961272539 /nfs/dbraw/zinc/27/25/39/961272539.db2.gz PVJGYNGXYSHESO-CQSZACIVSA-N 1 1 292.398 3.291 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)CC(C)(C)C=C ZINC001567368115 961301650 /nfs/dbraw/zinc/30/16/50/961301650.db2.gz PWOPIGSMJOBBQC-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC=CCC1 ZINC001567376264 961305576 /nfs/dbraw/zinc/30/55/76/961305576.db2.gz DONNLSZLPCCSGS-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](CC)CCCCC)C1 ZINC001567419841 961318369 /nfs/dbraw/zinc/31/83/69/961318369.db2.gz VOCHWKJYRPYKOI-SJORKVTESA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CCNC(=O)c1ccoc1C)C1CC1 ZINC001567436796 961336456 /nfs/dbraw/zinc/33/64/56/961336456.db2.gz HFEWKCLPAJZYHB-CYBMUJFWSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCCC[N@@H+](CCNC(=O)C1CC2(CCC2)C1)C1CC1 ZINC001567447585 961350081 /nfs/dbraw/zinc/35/00/81/961350081.db2.gz WXILNNLGCLWYFZ-UHFFFAOYSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](F)CC ZINC001567674114 961394149 /nfs/dbraw/zinc/39/41/49/961394149.db2.gz VGXMLIOSAJYCDL-FPCVCCKLSA-N 1 1 296.430 3.012 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](F)CC ZINC001567674114 961394167 /nfs/dbraw/zinc/39/41/67/961394167.db2.gz VGXMLIOSAJYCDL-FPCVCCKLSA-N 1 1 296.430 3.012 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)C2(CCF)CC2)C1 ZINC001567687045 961394809 /nfs/dbraw/zinc/39/48/09/961394809.db2.gz STBGDBKMJMBAIS-OAHLLOKOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)C2(CCF)CC2)C1 ZINC001567687044 961396930 /nfs/dbraw/zinc/39/69/30/961396930.db2.gz STBGDBKMJMBAIS-HNNXBMFYSA-N 1 1 296.430 3.015 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)CC(CC)CC)C1 ZINC001567689605 961406107 /nfs/dbraw/zinc/40/61/07/961406107.db2.gz WCJOLGROSCSUHY-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CC=CCC2)C1 ZINC001567691074 961410138 /nfs/dbraw/zinc/41/01/38/961410138.db2.gz JHHMTJLQXRWGLZ-IRXDYDNUSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCCC(=O)N1CC[C@H](C[N@@H+](C)CCC(C)(C)C)C1 ZINC001567722793 961410477 /nfs/dbraw/zinc/41/04/77/961410477.db2.gz AHWGVJJYQKMOMJ-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)C[C@H]2C=CCC2)C1 ZINC001567722376 961411545 /nfs/dbraw/zinc/41/15/45/961411545.db2.gz IVQRYWGMAPIJHO-DLBZAZTESA-N 1 1 290.451 3.089 20 30 CGEDMO CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)CCCCC(C)C)C1 ZINC001567740283 961413743 /nfs/dbraw/zinc/41/37/43/961413743.db2.gz YPLPXFATVAUMHS-QGZVFWFLSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCCC(=O)N1CCC(C[N@@H+](C)CC=C(C)C)CC1 ZINC001567744484 961414559 /nfs/dbraw/zinc/41/45/59/961414559.db2.gz KRBGJCDQLOXTQN-UHFFFAOYSA-N 1 1 278.440 3.089 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1CCC[N@H+](CCCCC)C1 ZINC001567765242 961430322 /nfs/dbraw/zinc/43/03/22/961430322.db2.gz OBHYRSSBJFYERT-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)CCC ZINC001567853577 961442131 /nfs/dbraw/zinc/44/21/31/961442131.db2.gz BQJFUMDXRPKOQG-IKGGRYGDSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)C(C)=C2CCCC2)C1 ZINC001567935461 961463032 /nfs/dbraw/zinc/46/30/32/961463032.db2.gz GTQVJYVYHOZNEU-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C(C)C[N@H+](C)CCC1CCN(C(=O)[C@@H](C)CC)CC1 ZINC001568436060 961577111 /nfs/dbraw/zinc/57/71/11/961577111.db2.gz ZXIDAECUNNGYIU-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@]1(C)CC=C(C)CC1 ZINC001568506717 961604442 /nfs/dbraw/zinc/60/44/42/961604442.db2.gz UFERTYXGPKDCDN-GOSISDBHSA-N 1 1 292.467 3.479 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)C1(C)C(C)(C)C1(C)C ZINC001568506924 961605960 /nfs/dbraw/zinc/60/59/60/961605960.db2.gz QBEGUXQTNYVGCL-UHFFFAOYSA-N 1 1 280.456 3.025 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H](C)C[NH2+]C/C(Cl)=C/Cl ZINC001569075872 961681121 /nfs/dbraw/zinc/68/11/21/961681121.db2.gz HXASJFZJCUOEJV-URRBYVIQSA-N 1 1 293.238 3.002 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)c1csc(Cl)c1 ZINC001569141391 961701162 /nfs/dbraw/zinc/70/11/62/961701162.db2.gz PMRPFVHHYYWNCV-SNVBAGLBSA-N 1 1 286.828 3.028 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)CCc1ccc(C)s1 ZINC001569154995 961710129 /nfs/dbraw/zinc/71/01/29/961710129.db2.gz GUERJOFTIUBTPP-CYBMUJFWSA-N 1 1 294.464 3.002 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)CCC1CCC1 ZINC001569351974 961738785 /nfs/dbraw/zinc/73/87/85/961738785.db2.gz BUWZDTXFJXMZDN-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1CC[N@@H+]1CCCC(C)C ZINC001569359752 961743321 /nfs/dbraw/zinc/74/33/21/961743321.db2.gz LPOYAQFUTRZHTI-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CNC(=O)c1sccc1Cl ZINC001569360075 961744785 /nfs/dbraw/zinc/74/47/85/961744785.db2.gz SDDSGANFUOXGML-NSHDSACASA-N 1 1 298.839 3.172 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@H]1CC[N@H+]1CC1CCCCC1 ZINC001569369636 961751077 /nfs/dbraw/zinc/75/10/77/961751077.db2.gz IWFZBSWCNOTJJK-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1CC[N@@H+]1CC(CC)CC ZINC001569374965 961752025 /nfs/dbraw/zinc/75/20/25/961752025.db2.gz PFFBVSAVVMEBSX-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC1(CC(=O)NC[C@@H]2CC[N@@H+]2CCCF)CCCCC1 ZINC001569375849 961757828 /nfs/dbraw/zinc/75/78/28/961757828.db2.gz CVFMJJJXHMELML-HNNXBMFYSA-N 1 1 296.430 3.063 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)/C=C(\C)CC ZINC001569446287 961767394 /nfs/dbraw/zinc/76/73/94/961767394.db2.gz JRZJLHGVOWHDQT-NZETUCKYSA-N 1 1 296.842 3.161 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)/C=C(\C)CC ZINC001569446287 961767402 /nfs/dbraw/zinc/76/74/02/961767402.db2.gz JRZJLHGVOWHDQT-NZETUCKYSA-N 1 1 296.842 3.161 20 30 CGEDMO C=CCC1(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CC)CCCC1 ZINC001569462247 961769605 /nfs/dbraw/zinc/76/96/05/961769605.db2.gz AEGUULCGYIWFGR-IYBDPMFKSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCCC(=O)NCC[N@H+](CCF)C1CCCCCC1 ZINC001569448202 961771899 /nfs/dbraw/zinc/77/18/99/961771899.db2.gz KZGLZZWVJRQMQI-UHFFFAOYSA-N 1 1 284.419 3.063 20 30 CGEDMO C=C1CC(C)(C(=O)N(C)C2C[NH+](CCCCCCC)C2)C1 ZINC001569499436 961774125 /nfs/dbraw/zinc/77/41/25/961774125.db2.gz CWOQOIXRYYKFOC-UHFFFAOYSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001569650760 961807149 /nfs/dbraw/zinc/80/71/49/961807149.db2.gz HPYDRYMLYUEZRH-MAUKXSAKSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@](C)(CNC(=O)c2sccc2C)C1 ZINC001569708732 961828727 /nfs/dbraw/zinc/82/87/27/961828727.db2.gz HONXJAJGNOJWPV-MRXNPFEDSA-N 1 1 292.448 3.074 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)CCC ZINC001569913588 961866831 /nfs/dbraw/zinc/86/68/31/961866831.db2.gz TXCDJGPANHQCKE-HUUCEWRRSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H](NC(=O)CC2CCC2)CC1 ZINC001570174228 961916221 /nfs/dbraw/zinc/91/62/21/961916221.db2.gz YZRGWTJVRZEIEW-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)c1cc(F)ccc1C ZINC001570204473 961925700 /nfs/dbraw/zinc/92/57/00/961925700.db2.gz RYMAPXUSYAOXGY-UHFFFAOYSA-N 1 1 292.398 3.104 20 30 CGEDMO C=CC[N@H+](C)CCCN(C)C(=O)C1C[C@H](C)C[C@@H](C)C1 ZINC001570217989 961934329 /nfs/dbraw/zinc/93/43/29/961934329.db2.gz HEDRVEKDRPKBBY-HUUCEWRRSA-N 1 1 280.456 3.025 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@]2(CC[N@H+](C[C@@H](C)CC)C2)C1 ZINC001570271982 961940634 /nfs/dbraw/zinc/94/06/34/961940634.db2.gz RXSWKLLYKNNNNE-WMZOPIPTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)CCCCC)cc2C1 ZINC001570311083 961946289 /nfs/dbraw/zinc/94/62/89/961946289.db2.gz NQWIBORUHAMEFA-UHFFFAOYSA-N 1 1 286.419 3.385 20 30 CGEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)CCCCC)cc2C1 ZINC001570311083 961946301 /nfs/dbraw/zinc/94/63/01/961946301.db2.gz NQWIBORUHAMEFA-UHFFFAOYSA-N 1 1 286.419 3.385 20 30 CGEDMO C#CCCCCCC(=O)N[C@@H]1CC[N@H+](CC(C)C)[C@H](C)C1 ZINC001570440635 961970685 /nfs/dbraw/zinc/97/06/85/961970685.db2.gz MYNRHFUZPMSXTH-IAGOWNOFSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)C1CCC1 ZINC001570536744 961987361 /nfs/dbraw/zinc/98/73/61/961987361.db2.gz RNDYHMSQUDRZLX-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)C[C@@H](C)CC ZINC001570528492 961988274 /nfs/dbraw/zinc/98/82/74/961988274.db2.gz UJIBFIOZUXTZGT-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)C1(CC)CCCC1 ZINC001570744633 962072507 /nfs/dbraw/zinc/07/25/07/962072507.db2.gz VVRYKPSAAGYQRB-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)C[C@@H]1C=CCC1 ZINC001570816017 962098415 /nfs/dbraw/zinc/09/84/15/962098415.db2.gz PCOVUGOAJZZACV-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](CC)CCC)C[C@@]2(C)C1 ZINC001571064477 962116349 /nfs/dbraw/zinc/11/63/49/962116349.db2.gz PXDPQEKAWDLGHC-NXHRZFHOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC([N@H+](C)CC[C@H](C)F)CC2)C1 ZINC001571333918 962132049 /nfs/dbraw/zinc/13/20/49/962132049.db2.gz GBNDSQFGOAYYRG-AWEZNQCLSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC1(CC(=O)N2CCC([N@H+](C)CC)CC2)CCCCC1 ZINC001571335137 962135507 /nfs/dbraw/zinc/13/55/07/962135507.db2.gz XROAZVONXBZEBO-UHFFFAOYSA-N 1 1 292.467 3.456 20 30 CGEDMO C#CC[N@H+](C)C1CCN(C(=O)C[C@@H](C)CC(C)(C)C)CC1 ZINC001571334281 962136250 /nfs/dbraw/zinc/13/62/50/962136250.db2.gz SDHVEBCOUJYINM-OAHLLOKOSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)c2cc(C)co2)CC1 ZINC001571333666 962136824 /nfs/dbraw/zinc/13/68/24/962136824.db2.gz YCZXPWVHIREATG-UHFFFAOYSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)F)[C@H]1C ZINC001571512760 962168173 /nfs/dbraw/zinc/16/81/73/962168173.db2.gz KNJGXIMQKFHTGB-CABCVRRESA-N 1 1 298.446 3.450 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)C(C)C)[C@@H]1C ZINC001571514853 962168684 /nfs/dbraw/zinc/16/86/84/962168684.db2.gz KXQNVTSHMPXGOL-HOTGVXAUSA-N 1 1 280.456 3.358 20 30 CGEDMO CC#CCCCC(=O)N[C@@H]1CCC[N@H+](CCCCC)[C@@H]1C ZINC001571521977 962174266 /nfs/dbraw/zinc/17/42/66/962174266.db2.gz ZIBBQLKTHLEXMM-IAGOWNOFSA-N 1 1 292.467 3.339 20 30 CGEDMO C=C(Cl)CN1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC001574859803 962321482 /nfs/dbraw/zinc/32/14/82/962321482.db2.gz IZDYQRJYVMPZGJ-DZGCQCFKSA-N 1 1 270.848 3.359 20 30 CGEDMO C=CCC[C@@H]1CCC[N@H+]1C[C@H](CN)c1ccc(OC)cc1 ZINC001574901709 962334924 /nfs/dbraw/zinc/33/49/24/962334924.db2.gz PXWZDHIHQFNFBM-DLBZAZTESA-N 1 1 288.435 3.168 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1C[C@H](CN)c1ccc(OC)cc1 ZINC001574901709 962334945 /nfs/dbraw/zinc/33/49/45/962334945.db2.gz PXWZDHIHQFNFBM-DLBZAZTESA-N 1 1 288.435 3.168 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1ccc(C)c(-c2nn[nH]n2)c1 ZINC001588593927 963286397 /nfs/dbraw/zinc/28/63/97/963286397.db2.gz NCGCFJMAJOVHPX-UHFFFAOYSA-N 1 1 299.422 3.353 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cc(F)c(OC)cc1OC ZINC000651642642 398260964 /nfs/dbraw/zinc/26/09/64/398260964.db2.gz AKVBQHYSNCFGOE-UHFFFAOYSA-N 1 1 267.344 3.241 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)ccn1 ZINC000590118861 346828838 /nfs/dbraw/zinc/82/88/38/346828838.db2.gz RBKRYNUPEJLSJK-QGZVFWFLSA-N 1 1 277.371 3.333 20 30 CGEDMO CC[N@@H+](Cc1cc2cc(Cl)cnc2o1)C[C@@H](C)C#N ZINC000590638785 346857560 /nfs/dbraw/zinc/85/75/60/346857560.db2.gz OXYFQNVEXHTQHH-JTQLQIEISA-N 1 1 277.755 3.463 20 30 CGEDMO CC[N@H+](Cc1cc2cc(Cl)cnc2o1)C[C@@H](C)C#N ZINC000590638785 346857562 /nfs/dbraw/zinc/85/75/62/346857562.db2.gz OXYFQNVEXHTQHH-JTQLQIEISA-N 1 1 277.755 3.463 20 30 CGEDMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000590971626 346892371 /nfs/dbraw/zinc/89/23/71/346892371.db2.gz ANQMRPQXYBHCSO-CYBMUJFWSA-N 1 1 283.350 3.155 20 30 CGEDMO CC[C@H](C)[N@@H+](C)CCN[C@H](C)c1ccc(C#N)cc1F ZINC000358571192 529690402 /nfs/dbraw/zinc/69/04/02/529690402.db2.gz OONBTRAXVVLBJO-QWHCGFSZSA-N 1 1 277.387 3.078 20 30 CGEDMO CCCC[C@@H](CN)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000591577752 346929685 /nfs/dbraw/zinc/92/96/85/346929685.db2.gz LQFJJYSXPAYECX-DOTOQJQBSA-N 1 1 271.408 3.043 20 30 CGEDMO CCc1nc(C[NH2+][C@H](C)c2cccc(C#N)c2)cs1 ZINC000174431221 529740739 /nfs/dbraw/zinc/74/07/39/529740739.db2.gz FESQKHQVPFIGBO-LLVKDONJSA-N 1 1 271.389 3.428 20 30 CGEDMO CCc1nc(N(C)[C@@H](C)c2cccc(C#N)c2)cc(C)[nH+]1 ZINC000425288286 529730148 /nfs/dbraw/zinc/73/01/48/529730148.db2.gz XAXYJQAIMOWRFI-ZDUSSCGKSA-N 1 1 280.375 3.417 20 30 CGEDMO Cc1ccc([C@@H]2CC[N@@H+](Cc3ccncc3C#N)C2)cc1 ZINC000592101335 346962194 /nfs/dbraw/zinc/96/21/94/346962194.db2.gz QTZSMRJJKOIGPM-QGZVFWFLSA-N 1 1 277.371 3.251 20 30 CGEDMO CC[C@@H](C)[C@H](C)[N@@H+](Cc1ccncc1C#N)C1CC1 ZINC000592067427 346959234 /nfs/dbraw/zinc/95/92/34/346959234.db2.gz PKGCSLXFKGRYDS-OLZOCXBDSA-N 1 1 257.381 3.352 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)o1 ZINC000126944640 187272289 /nfs/dbraw/zinc/27/22/89/187272289.db2.gz XAAMOGXXSCJVPM-CQSZACIVSA-N 1 1 284.334 3.355 20 30 CGEDMO CC[N@@H+](Cc1ccncc1C#N)[C@H]1CCCC[C@H]1C ZINC000592117071 346964472 /nfs/dbraw/zinc/96/44/72/346964472.db2.gz WSESQWBTYLDWNM-CJNGLKHVSA-N 1 1 257.381 3.354 20 30 CGEDMO C[C@@]1(c2ccc(F)cc2)CC[N@H+](Cc2ccncc2C#N)C1 ZINC000592121212 346964986 /nfs/dbraw/zinc/96/49/86/346964986.db2.gz PRISKIYDQDTFJT-GOSISDBHSA-N 1 1 295.361 3.256 20 30 CGEDMO C[C@@]1(c2ccc(F)cc2)CC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592121212 346964989 /nfs/dbraw/zinc/96/49/89/346964989.db2.gz PRISKIYDQDTFJT-GOSISDBHSA-N 1 1 295.361 3.256 20 30 CGEDMO CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccc(CC#N)cc1 ZINC000592746703 347015600 /nfs/dbraw/zinc/01/56/00/347015600.db2.gz AKJFJDHRKZMBGG-CYBMUJFWSA-N 1 1 296.374 3.101 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC12CCCC2 ZINC000593038958 347031017 /nfs/dbraw/zinc/03/10/17/347031017.db2.gz OLHCPAPERVDSOZ-UHFFFAOYSA-N 1 1 256.349 3.085 20 30 CGEDMO C[C@@]1(c2cccc(F)c2)CC[N@@H+](CCCCC#N)C1 ZINC000593046857 347031912 /nfs/dbraw/zinc/03/19/12/347031912.db2.gz UFAOCBODKBLRBW-MRXNPFEDSA-N 1 1 260.356 3.483 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@H]1CCCO1 ZINC000356093991 529984075 /nfs/dbraw/zinc/98/40/75/529984075.db2.gz VPQISUZMMFSNJZ-CYBMUJFWSA-N 1 1 298.308 3.188 20 30 CGEDMO CC[C@H](C#N)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000593406324 347072189 /nfs/dbraw/zinc/07/21/89/347072189.db2.gz AJEMIQSFCKYGDS-GOEBONIOSA-N 1 1 299.418 3.407 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000026345988 344906371 /nfs/dbraw/zinc/90/63/71/344906371.db2.gz ONGQYGPSLITCES-UHFFFAOYSA-N 1 1 281.315 3.098 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000026345988 344906372 /nfs/dbraw/zinc/90/63/72/344906372.db2.gz ONGQYGPSLITCES-UHFFFAOYSA-N 1 1 281.315 3.098 20 30 CGEDMO C=CC[N@@H+](CC(=O)N(C(C)C)C(C)C)Cc1ccccc1 ZINC000045796726 345030392 /nfs/dbraw/zinc/03/03/92/345030392.db2.gz PSWJDRMIWAPCQO-UHFFFAOYSA-N 1 1 288.435 3.320 20 30 CGEDMO C=CC[N@H+](CC(=O)N(C(C)C)C(C)C)Cc1ccccc1 ZINC000045796726 345030394 /nfs/dbraw/zinc/03/03/94/345030394.db2.gz PSWJDRMIWAPCQO-UHFFFAOYSA-N 1 1 288.435 3.320 20 30 CGEDMO C=CC[N@H+](CCCc1cnn(C)c1)Cc1ccccc1F ZINC000054337835 345133019 /nfs/dbraw/zinc/13/30/19/345133019.db2.gz UHTDUCMLWADCLP-UHFFFAOYSA-N 1 1 287.382 3.180 20 30 CGEDMO C[N@H+](CCOc1ccc(F)cc1)Cc1ccccc1C#N ZINC000057951619 345191880 /nfs/dbraw/zinc/19/18/80/345191880.db2.gz ZJSYDSZEIIJWOJ-UHFFFAOYSA-N 1 1 284.334 3.208 20 30 CGEDMO C[N@@H+](CCOc1ccc(F)cc1)Cc1ccccc1C#N ZINC000057951619 345191885 /nfs/dbraw/zinc/19/18/85/345191885.db2.gz ZJSYDSZEIIJWOJ-UHFFFAOYSA-N 1 1 284.334 3.208 20 30 CGEDMO C=CC[N@H+](CCn1nc(C)cc1C)Cc1cccs1 ZINC000068785028 345363350 /nfs/dbraw/zinc/36/33/50/345363350.db2.gz FAEWEUGKJKKYPF-UHFFFAOYSA-N 1 1 275.421 3.250 20 30 CGEDMO CC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)[C@@H](C)C(C)C ZINC000067661298 345328260 /nfs/dbraw/zinc/32/82/60/345328260.db2.gz JCMGHYDPASLPSH-HNNXBMFYSA-N 1 1 293.455 3.038 20 30 CGEDMO N#CCSCCC[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000074990507 345489764 /nfs/dbraw/zinc/48/97/64/345489764.db2.gz HXFIQLVDLQGNOB-CYBMUJFWSA-N 1 1 278.396 3.262 20 30 CGEDMO N#CCCC[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000076152593 345535962 /nfs/dbraw/zinc/53/59/62/345535962.db2.gz QKLAWZVSUNMMPN-CVEARBPZSA-N 1 1 253.349 3.062 20 30 CGEDMO N#CCCC[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000076152593 345535964 /nfs/dbraw/zinc/53/59/64/345535964.db2.gz QKLAWZVSUNMMPN-CVEARBPZSA-N 1 1 253.349 3.062 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCc1ccccn1 ZINC000076154393 345536421 /nfs/dbraw/zinc/53/64/21/345536421.db2.gz RJIYYXKOSDETAP-RTBURBONSA-N 1 1 291.398 3.396 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C)CCCc1ccc(Cl)cc1 ZINC000077270118 345565417 /nfs/dbraw/zinc/56/54/17/345565417.db2.gz ANHMUYYDBYNDEN-GFCCVEGCSA-N 1 1 250.773 3.364 20 30 CGEDMO N#Cc1ccc(C[NH2+]C2(c3ccccc3)CC2)c(F)c1 ZINC000077377867 345571281 /nfs/dbraw/zinc/57/12/81/345571281.db2.gz OHIJEFYBXXIWRB-UHFFFAOYSA-N 1 1 266.319 3.476 20 30 CGEDMO Cc1[nH+]ccn1CCCCNc1ccc(C#N)cc1F ZINC000078336316 345601537 /nfs/dbraw/zinc/60/15/37/345601537.db2.gz MROBFIWAGGAVBR-UHFFFAOYSA-N 1 1 272.327 3.095 20 30 CGEDMO C=CCCC[C@@H](C)[N@@H+](C)CC(=O)Nc1ccccc1 ZINC000091507324 345817304 /nfs/dbraw/zinc/81/73/04/345817304.db2.gz FQIPKORVDNMENJ-CQSZACIVSA-N 1 1 260.381 3.302 20 30 CGEDMO C=CCCC[C@@H](C)[N@@H+](C)CC(C)(C)CN1CCOCC1 ZINC000089262923 345767640 /nfs/dbraw/zinc/76/76/40/345767640.db2.gz NZCAAJOFHHVRHN-MRXNPFEDSA-N 1 1 282.472 3.021 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@H](C)C2)cc1OCCCC#N ZINC000092471602 345841776 /nfs/dbraw/zinc/84/17/76/345841776.db2.gz BAUQFHZJCXJYEW-AWEZNQCLSA-N 1 1 288.391 3.220 20 30 CGEDMO CC(C)[N@@H+](CC#Cc1ccc(F)cc1)Cc1cccnc1 ZINC000093225687 345873677 /nfs/dbraw/zinc/87/36/77/345873677.db2.gz YXRMTOGDBXTWIZ-UHFFFAOYSA-N 1 1 282.362 3.483 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc(C#N)s1)C1CCOCC1 ZINC000129945648 346053361 /nfs/dbraw/zinc/05/33/61/346053361.db2.gz VAJLBHFHDPIZEP-UHFFFAOYSA-N 1 1 264.394 3.009 20 30 CGEDMO N#Cc1cccc(NC(=O)CC[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000177515840 232368031 /nfs/dbraw/zinc/36/80/31/232368031.db2.gz SWCFXBRONXFFSX-IYBDPMFKSA-N 1 1 297.402 3.009 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[NH+]2CCCCCC2)c1C#N ZINC000154301690 346148526 /nfs/dbraw/zinc/14/85/26/346148526.db2.gz MAWRDQVQCKLVDG-UHFFFAOYSA-N 1 1 294.402 3.428 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)ccc1F)CC(C)(C)CCC#N ZINC000155399650 346153332 /nfs/dbraw/zinc/15/33/32/346153332.db2.gz OEIRKQGAGUVVFF-UHFFFAOYSA-N 1 1 273.355 3.459 20 30 CGEDMO CCO[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000162886667 346180085 /nfs/dbraw/zinc/18/00/85/346180085.db2.gz IOHAMEKSFZHDLD-CQSZACIVSA-N 1 1 278.783 3.213 20 30 CGEDMO CCO[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000162886667 346180088 /nfs/dbraw/zinc/18/00/88/346180088.db2.gz IOHAMEKSFZHDLD-CQSZACIVSA-N 1 1 278.783 3.213 20 30 CGEDMO COC(=O)c1cc([C@@H](C)[NH+]2CCC(C)(C#N)CC2)oc1C ZINC000293055717 346430814 /nfs/dbraw/zinc/43/08/14/346430814.db2.gz YNAQAUUQWVWVSA-LLVKDONJSA-N 1 1 290.363 3.061 20 30 CGEDMO Fc1ccc(C#CC[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000289401399 346423542 /nfs/dbraw/zinc/42/35/42/346423542.db2.gz AAAOYROGNZFNMF-ZWKOTPCHSA-N 1 1 299.389 3.211 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000289401399 346423548 /nfs/dbraw/zinc/42/35/48/346423548.db2.gz AAAOYROGNZFNMF-ZWKOTPCHSA-N 1 1 299.389 3.211 20 30 CGEDMO COc1ccc2c(c1)C1(CC1)C[N@@H+]([C@@H]1CC[C@H](C#N)C1)C2 ZINC000293542518 346431573 /nfs/dbraw/zinc/43/15/73/346431573.db2.gz KJUWFSRHWROQKC-DZGCQCFKSA-N 1 1 282.387 3.235 20 30 CGEDMO C[C@H](CC#N)[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000308821719 346467684 /nfs/dbraw/zinc/46/76/84/346467684.db2.gz CHCZOHDFSDGXDC-MRVPVSSYSA-N 1 1 287.588 3.494 20 30 CGEDMO Cc1nc(NC[C@@H]2CC[N@H+](C(C)C)C2)c(Cl)cc1C#N ZINC000312910381 346478308 /nfs/dbraw/zinc/47/83/08/346478308.db2.gz KQBIGMNNPHQZBN-LBPRGKRZSA-N 1 1 292.814 3.057 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1nc2ccccc2n1C ZINC000314742283 346482742 /nfs/dbraw/zinc/48/27/42/346482742.db2.gz RZHQFPITXSKRDQ-ZDUSSCGKSA-N 1 1 290.370 3.296 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000494334415 346633448 /nfs/dbraw/zinc/63/34/48/346633448.db2.gz PZVUDSBGANQXKE-LSDHHAIUSA-N 1 1 294.439 3.025 20 30 CGEDMO CCCCCCCCC[N@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000584649960 346704590 /nfs/dbraw/zinc/70/45/90/346704590.db2.gz ICQMVFSCRKNRHU-INIZCTEOSA-N 1 1 297.487 3.473 20 30 CGEDMO CC[C@@H](NCC[N@@H+](C)C1CCCC1)c1ccc(C#N)cc1 ZINC000583604460 346680361 /nfs/dbraw/zinc/68/03/61/346680361.db2.gz ZWFUYCNMWUGMDM-GOSISDBHSA-N 1 1 285.435 3.473 20 30 CGEDMO CC[C@@H]([NH2+]CCN(C)C1CCCC1)c1ccc(C#N)cc1 ZINC000583604460 346680363 /nfs/dbraw/zinc/68/03/63/346680363.db2.gz ZWFUYCNMWUGMDM-GOSISDBHSA-N 1 1 285.435 3.473 20 30 CGEDMO CC(C)(C)c1ncc(C[NH2+]Cc2ccc(C#N)cc2F)cn1 ZINC000585766841 346729714 /nfs/dbraw/zinc/72/97/14/346729714.db2.gz CDSPXPOUEIIHLK-UHFFFAOYSA-N 1 1 298.365 3.075 20 30 CGEDMO CC(C)[N@@H+](C)C[C@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000589344080 346794195 /nfs/dbraw/zinc/79/41/95/346794195.db2.gz UKGNZBNMMPEPAU-KSSFIOAISA-N 1 1 285.435 3.254 20 30 CGEDMO CC(C)[N@H+](C)C[C@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000589344080 346794197 /nfs/dbraw/zinc/79/41/97/346794197.db2.gz UKGNZBNMMPEPAU-KSSFIOAISA-N 1 1 285.435 3.254 20 30 CGEDMO N#Cc1ccc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c(F)c1 ZINC000594600442 347199894 /nfs/dbraw/zinc/19/98/94/347199894.db2.gz LFSXTGIYKUIPSA-HOTGVXAUSA-N 1 1 273.355 3.126 20 30 CGEDMO CC(C)(C#N)c1ccc(C[NH2+]Cc2nccs2)cc1 ZINC000594495216 347178700 /nfs/dbraw/zinc/17/87/00/347178700.db2.gz NWKGXIPAQRJGPN-UHFFFAOYSA-N 1 1 271.389 3.234 20 30 CGEDMO CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CCCc3c[nH]nc32)cc1 ZINC000594497231 347179328 /nfs/dbraw/zinc/17/93/28/347179328.db2.gz DXYARKIRDSFAIP-MRXNPFEDSA-N 1 1 294.402 3.378 20 30 CGEDMO COc1cc(C)c(C[NH2+]CC2(C#N)CCCCC2)c(C)n1 ZINC000594981089 347247927 /nfs/dbraw/zinc/24/79/27/347247927.db2.gz GGNMKGIGZBYEEE-UHFFFAOYSA-N 1 1 287.407 3.271 20 30 CGEDMO CO[C@@H](C[N@@H+](Cc1ccc(C#N)cc1)C1CC1)C1CCC1 ZINC000595297022 347288656 /nfs/dbraw/zinc/28/86/56/347288656.db2.gz OXMWGQWHWLVZDM-SFHVURJKSA-N 1 1 284.403 3.338 20 30 CGEDMO Cc1cc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)nc(C)n1 ZINC000595296356 347288672 /nfs/dbraw/zinc/28/86/72/347288672.db2.gz BLGWNRCURCRWGS-UHFFFAOYSA-N 1 1 294.402 3.376 20 30 CGEDMO CC(C)[N@H+]1CCCN([C@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000595308112 347290100 /nfs/dbraw/zinc/29/01/00/347290100.db2.gz ZIBXZOYYMZKKNV-MRXNPFEDSA-N 1 1 291.826 3.321 20 30 CGEDMO CC(C)(C)[N@@H+]1CC[C@H](N[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000595057214 347272703 /nfs/dbraw/zinc/27/27/03/347272703.db2.gz VGPXNYAIWGFCHT-FUHWJXTLSA-N 1 1 297.446 3.398 20 30 CGEDMO CCc1ccc(CC[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000595614355 347327125 /nfs/dbraw/zinc/32/71/25/347327125.db2.gz KZHDPYNVVBMHFS-KRWDZBQOSA-N 1 1 256.393 3.417 20 30 CGEDMO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](CC#N)C2)c(C)c1 ZINC000595612180 347327719 /nfs/dbraw/zinc/32/77/19/347327719.db2.gz SPURBECSGGXEQH-HZPDHXFCSA-N 1 1 299.418 3.256 20 30 CGEDMO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](CC#N)C2)c(C)c1 ZINC000595612180 347327725 /nfs/dbraw/zinc/32/77/25/347327725.db2.gz SPURBECSGGXEQH-HZPDHXFCSA-N 1 1 299.418 3.256 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](CCc2nsc3ccccc32)C1 ZINC000595618445 347328521 /nfs/dbraw/zinc/32/85/21/347328521.db2.gz YCYVWHQPGIBAHH-ZDUSSCGKSA-N 1 1 285.416 3.464 20 30 CGEDMO CC(C)(C)Oc1cccc(C[N@@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595619955 347328738 /nfs/dbraw/zinc/32/87/38/347328738.db2.gz HXIUONAMDZAVIO-CQSZACIVSA-N 1 1 287.407 3.385 20 30 CGEDMO CC(C)(C)Oc1cccc(C[N@H+]2CCC[C@H](CC#N)C2)n1 ZINC000595619955 347328739 /nfs/dbraw/zinc/32/87/39/347328739.db2.gz HXIUONAMDZAVIO-CQSZACIVSA-N 1 1 287.407 3.385 20 30 CGEDMO C[C@@]1(C2CC2)C[N@@H+](CCC2(C#N)CCCCC2)CCO1 ZINC000595625339 347329202 /nfs/dbraw/zinc/32/92/02/347329202.db2.gz LWWVKLSPCGXOOZ-INIZCTEOSA-N 1 1 276.424 3.351 20 30 CGEDMO COc1ccc([C@@H](C)C[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595623949 347329320 /nfs/dbraw/zinc/32/93/20/347329320.db2.gz ZKUSGADEHPZLRZ-LSDHHAIUSA-N 1 1 272.392 3.424 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000595659351 347334546 /nfs/dbraw/zinc/33/45/46/347334546.db2.gz NAWHMGGKXIBBDR-CYBMUJFWSA-N 1 1 258.340 3.485 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cc(C(=O)OC)oc2C)C1 ZINC000595659068 347334601 /nfs/dbraw/zinc/33/46/01/347334601.db2.gz JEXDURSXMLWQAO-CYBMUJFWSA-N 1 1 277.364 3.163 20 30 CGEDMO COc1cccc2c1CC[N@@H+](CCc1ccc(C#N)cc1)C2 ZINC000595428094 347302232 /nfs/dbraw/zinc/30/22/32/347302232.db2.gz ZZHMXHQPSRCNEH-UHFFFAOYSA-N 1 1 292.382 3.168 20 30 CGEDMO CC1(C#N)CC[NH+](Cc2nsc3ccccc32)CC1 ZINC000595429206 347302279 /nfs/dbraw/zinc/30/22/79/347302279.db2.gz PPPAMELEZOILDG-UHFFFAOYSA-N 1 1 271.389 3.422 20 30 CGEDMO CCn1cc(C[N@@H+](CCc2ccc(C#N)cc2)C(C)C)cn1 ZINC000595556735 347319132 /nfs/dbraw/zinc/31/91/32/347319132.db2.gz CNNRJVKAKJQASO-UHFFFAOYSA-N 1 1 296.418 3.228 20 30 CGEDMO CC[C@H](C)[N@@H+](CC)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000595594016 347322862 /nfs/dbraw/zinc/32/28/62/347322862.db2.gz WDHOOORKXCWEBQ-LBPRGKRZSA-N 1 1 284.363 3.229 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CC[C@@H](Oc3ccccc3)C2)cc1 ZINC000595830499 347361951 /nfs/dbraw/zinc/36/19/51/347361951.db2.gz GILCBLZOTIIEJW-LJQANCHMSA-N 1 1 292.382 3.254 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CCC[C@@H](C3CCC3)C2)n1 ZINC000595832076 347362780 /nfs/dbraw/zinc/36/27/80/347362780.db2.gz HKFPHBYOCGQNGW-GFCCVEGCSA-N 1 1 261.394 3.027 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@@H](C3CCC3)C2)n1 ZINC000595832076 347362782 /nfs/dbraw/zinc/36/27/82/347362782.db2.gz HKFPHBYOCGQNGW-GFCCVEGCSA-N 1 1 261.394 3.027 20 30 CGEDMO N#CCSCCC[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000595838733 347364787 /nfs/dbraw/zinc/36/47/87/347364787.db2.gz VHKSITLIQPUMQT-CQSZACIVSA-N 1 1 252.427 3.145 20 30 CGEDMO COc1cccc(SCC[N@@H+]2CC[C@](C)(C#N)C2)c1 ZINC000595841136 347365546 /nfs/dbraw/zinc/36/55/46/347365546.db2.gz IGUMEXRAPHDPQR-OAHLLOKOSA-N 1 1 276.405 3.023 20 30 CGEDMO COc1cccc(SCC[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC000595841136 347365549 /nfs/dbraw/zinc/36/55/49/347365549.db2.gz IGUMEXRAPHDPQR-OAHLLOKOSA-N 1 1 276.405 3.023 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C(=O)OC)c1C#N ZINC000595844439 347367471 /nfs/dbraw/zinc/36/74/71/347367471.db2.gz FCXILNGGFKNKSI-GASCZTMLSA-N 1 1 296.370 3.028 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C(=O)OC)c1ccccc1 ZINC000595845944 347367501 /nfs/dbraw/zinc/36/75/01/347367501.db2.gz XOURVWGKNRWYNZ-XHSDSOJGSA-N 1 1 271.360 3.084 20 30 CGEDMO CC(C)(C#N)CCCC[N@@H+]1CCO[C@](C)(C(F)F)C1 ZINC000595919375 347372591 /nfs/dbraw/zinc/37/25/91/347372591.db2.gz WUGPTDWSQYAJMO-AWEZNQCLSA-N 1 1 274.355 3.062 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCO[C@](C)(C(F)F)C1 ZINC000595919375 347372596 /nfs/dbraw/zinc/37/25/96/347372596.db2.gz WUGPTDWSQYAJMO-AWEZNQCLSA-N 1 1 274.355 3.062 20 30 CGEDMO Cc1[nH+]ccn1CCSCCc1ccc(C#N)cc1 ZINC000596384448 347441952 /nfs/dbraw/zinc/44/19/52/347441952.db2.gz MWTSRBXLAMVIOH-UHFFFAOYSA-N 1 1 271.389 3.039 20 30 CGEDMO N#Cc1ccc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)c(F)c1 ZINC000596571559 347480763 /nfs/dbraw/zinc/48/07/63/347480763.db2.gz VXHBWLWBJSUVOT-OAHLLOKOSA-N 1 1 287.382 3.231 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cccc(OC3CC3)c2F)C1 ZINC000597175697 347544349 /nfs/dbraw/zinc/54/43/49/347544349.db2.gz CZPUMOZDSUFKPX-CYBMUJFWSA-N 1 1 288.366 3.493 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2cccc(OC3CC3)c2F)C1 ZINC000597175697 347544350 /nfs/dbraw/zinc/54/43/50/347544350.db2.gz CZPUMOZDSUFKPX-CYBMUJFWSA-N 1 1 288.366 3.493 20 30 CGEDMO CC(C)[N@H+](CCC#N)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596987858 347524511 /nfs/dbraw/zinc/52/45/11/347524511.db2.gz PCABZZIOXFPYGN-UHFFFAOYSA-N 1 1 267.376 3.366 20 30 CGEDMO CC(C)[N@@H+](CCC#N)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596987858 347524514 /nfs/dbraw/zinc/52/45/14/347524514.db2.gz PCABZZIOXFPYGN-UHFFFAOYSA-N 1 1 267.376 3.366 20 30 CGEDMO C[NH+](Cc1ccc(C2(C#N)CC2)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000596984205 347524522 /nfs/dbraw/zinc/52/45/22/347524522.db2.gz QUJJUHCSXAJYMK-KRWDZBQOSA-N 1 1 297.446 3.015 20 30 CGEDMO C[NH+](Cc1ccc(C2(C#N)CC2)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000596984205 347524524 /nfs/dbraw/zinc/52/45/24/347524524.db2.gz QUJJUHCSXAJYMK-KRWDZBQOSA-N 1 1 297.446 3.015 20 30 CGEDMO CN1CCC[C@H](C[N@H+](C)Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000596984205 347524526 /nfs/dbraw/zinc/52/45/26/347524526.db2.gz QUJJUHCSXAJYMK-KRWDZBQOSA-N 1 1 297.446 3.015 20 30 CGEDMO CN1CCC[C@H](C[N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000596984205 347524527 /nfs/dbraw/zinc/52/45/27/347524527.db2.gz QUJJUHCSXAJYMK-KRWDZBQOSA-N 1 1 297.446 3.015 20 30 CGEDMO CN(Cc1ccc(C2(C#N)CC2)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000596984205 347524529 /nfs/dbraw/zinc/52/45/29/347524529.db2.gz QUJJUHCSXAJYMK-KRWDZBQOSA-N 1 1 297.446 3.015 20 30 CGEDMO CN(Cc1ccc(C2(C#N)CC2)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000596984205 347524531 /nfs/dbraw/zinc/52/45/31/347524531.db2.gz QUJJUHCSXAJYMK-KRWDZBQOSA-N 1 1 297.446 3.015 20 30 CGEDMO C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)C[C@@H]1CCCOC1 ZINC000597003157 347526633 /nfs/dbraw/zinc/52/66/33/347526633.db2.gz MGORHMWYUHHPHF-INIZCTEOSA-N 1 1 284.403 3.100 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000597177522 347545147 /nfs/dbraw/zinc/54/51/47/347545147.db2.gz OCMUTUZMDVGLCF-MRXNPFEDSA-N 1 1 284.403 3.180 20 30 CGEDMO C[N@@H+](Cc1ccc[nH]1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597027774 347528966 /nfs/dbraw/zinc/52/89/66/347528966.db2.gz XTKAOQQVFRPBME-UHFFFAOYSA-N 1 1 265.360 3.202 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2scnc2C2CC2)C1 ZINC000597176484 347545589 /nfs/dbraw/zinc/54/55/89/347545589.db2.gz HVKWQVOXAWXRBI-NSHDSACASA-N 1 1 261.394 3.146 20 30 CGEDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597117527 347536885 /nfs/dbraw/zinc/53/68/85/347536885.db2.gz USKMKCCZZWGZPV-YJBOKZPZSA-N 1 1 298.430 3.367 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C2(CCC2)CO1 ZINC000597158108 347542457 /nfs/dbraw/zinc/54/24/57/347542457.db2.gz SRNWGMDJGKDSCJ-OAHLLOKOSA-N 1 1 296.414 3.385 20 30 CGEDMO CC[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)[C@H](C)CO1 ZINC000597159353 347542565 /nfs/dbraw/zinc/54/25/65/347542565.db2.gz YZRURCGWNVFABT-RHSMWYFYSA-N 1 1 284.403 3.241 20 30 CGEDMO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000597228862 347557634 /nfs/dbraw/zinc/55/76/34/347557634.db2.gz HJFBVWGDCFWIKV-QGZVFWFLSA-N 1 1 280.375 3.121 20 30 CGEDMO Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000597228862 347557636 /nfs/dbraw/zinc/55/76/36/347557636.db2.gz HJFBVWGDCFWIKV-QGZVFWFLSA-N 1 1 280.375 3.121 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](Cc2ccc3c(c2)CCCC3)C1 ZINC000597232303 347560060 /nfs/dbraw/zinc/56/00/60/347560060.db2.gz SQUQKAXIRUDEDK-QGZVFWFLSA-N 1 1 254.377 3.301 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](Cc2ccc3c(c2)CCCC3)C1 ZINC000597232303 347560062 /nfs/dbraw/zinc/56/00/62/347560062.db2.gz SQUQKAXIRUDEDK-QGZVFWFLSA-N 1 1 254.377 3.301 20 30 CGEDMO N#Cc1ccc2ncc(C[N@@H+](CCC3CC3)CC3CC3)n2c1 ZINC000597233822 347560071 /nfs/dbraw/zinc/56/00/71/347560071.db2.gz QGPQIJBFQMWOHO-UHFFFAOYSA-N 1 1 294.402 3.218 20 30 CGEDMO N#CCC1C[NH+](Cc2cccc(OC3CCCC3)c2)C1 ZINC000597192970 347547556 /nfs/dbraw/zinc/54/75/56/347547556.db2.gz BOGNGTJJLFOJEG-UHFFFAOYSA-N 1 1 270.376 3.353 20 30 CGEDMO CC1(C)CC[C@H](CO)[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000598646728 347674737 /nfs/dbraw/zinc/67/47/37/347674737.db2.gz ARTLOGUNMCBDIG-OAHLLOKOSA-N 1 1 278.440 3.333 20 30 CGEDMO CC[N@@H+](Cc1nccnc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000598678639 347677901 /nfs/dbraw/zinc/67/79/01/347677901.db2.gz JNAOKPNMHAWPIM-AWEZNQCLSA-N 1 1 280.375 3.240 20 30 CGEDMO N#Cc1cccc(C[NH2+][C@H]2CCCc3scnc32)c1 ZINC000599019932 347706749 /nfs/dbraw/zinc/70/67/49/347706749.db2.gz PTVGVZRXRPWIDW-ZDUSSCGKSA-N 1 1 269.373 3.182 20 30 CGEDMO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598586092 347666891 /nfs/dbraw/zinc/66/68/91/347666891.db2.gz COLUIYMSCXYOJI-DGCLKSJQSA-N 1 1 296.361 3.258 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCSC2(CCCCC2)C1 ZINC000598592911 347668582 /nfs/dbraw/zinc/66/85/82/347668582.db2.gz NBUXEIZRCFRNHH-AWEZNQCLSA-N 1 1 296.480 3.039 20 30 CGEDMO C[C@@H](c1ccco1)[N@@H+](C[C@H](O)CC(C)(C)C#N)C1CC1 ZINC000598598416 347669480 /nfs/dbraw/zinc/66/94/80/347669480.db2.gz RKJYKEZPOHLYKE-GXTWGEPZSA-N 1 1 276.380 3.106 20 30 CGEDMO Cc1cccc(C2=CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)CC2)c1 ZINC000598601998 347669978 /nfs/dbraw/zinc/66/99/78/347669978.db2.gz YQPYEYBMYDXOPO-SFHVURJKSA-N 1 1 298.430 3.385 20 30 CGEDMO Cc1ccc(C)c(C[N@@H+](C)C[C@@H](O)CC(C)(C)C#N)c1 ZINC000598607562 347670575 /nfs/dbraw/zinc/67/05/75/347670575.db2.gz AIWPTCONXYBZRJ-INIZCTEOSA-N 1 1 274.408 3.036 20 30 CGEDMO C/C(=C/c1ccccc1)C[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598612046 347671480 /nfs/dbraw/zinc/67/14/80/347671480.db2.gz YHIUHLPOBUHQIF-MJSCBBHESA-N 1 1 286.419 3.322 20 30 CGEDMO CCC(O)(CC)C[N@@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000599673391 347764415 /nfs/dbraw/zinc/76/44/15/347764415.db2.gz MHJWZEAUFYHLOE-CYBMUJFWSA-N 1 1 260.381 3.102 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@@]3(CCCOC3)C2)cc1C#N ZINC000599307852 347734569 /nfs/dbraw/zinc/73/45/69/347734569.db2.gz NJSZOCFIXMNCGF-GOSISDBHSA-N 1 1 284.403 3.259 20 30 CGEDMO CCc1ccc([C@H](COC)[NH2+]Cc2ccc(C)c(C#N)c2)o1 ZINC000599360191 347739610 /nfs/dbraw/zinc/73/96/10/347739610.db2.gz SWBMWCDFHCFTJQ-KRWDZBQOSA-N 1 1 298.386 3.499 20 30 CGEDMO COC[C@@H]1CCCC[N@@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599366576 347740236 /nfs/dbraw/zinc/74/02/36/347740236.db2.gz UJNSGHHTBVCNIR-MRXNPFEDSA-N 1 1 272.392 3.115 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2ccc(C)c(C#N)c2)CC1(C)C ZINC000599433172 347744611 /nfs/dbraw/zinc/74/46/11/347744611.db2.gz CKTGAAHHIPUPAI-INIZCTEOSA-N 1 1 272.392 3.114 20 30 CGEDMO Cc1c[nH]c(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)n1 ZINC000600110409 347780314 /nfs/dbraw/zinc/78/03/14/347780314.db2.gz BGJUTTRMVCUSLC-UHFFFAOYSA-N 1 1 282.391 3.248 20 30 CGEDMO Cc1c[nH]c(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)n1 ZINC000600110409 347780316 /nfs/dbraw/zinc/78/03/16/347780316.db2.gz BGJUTTRMVCUSLC-UHFFFAOYSA-N 1 1 282.391 3.248 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCC(F)(F)CC1 ZINC000599552087 347753570 /nfs/dbraw/zinc/75/35/70/347753570.db2.gz FHOAOOFUXZUCND-UHFFFAOYSA-N 1 1 264.319 3.488 20 30 CGEDMO N#Cc1c(C[N@H+]2CCCC(F)(F)CC2)cn2ccccc12 ZINC000599551853 347753838 /nfs/dbraw/zinc/75/38/38/347753838.db2.gz SQPMNOZCFVMXKJ-UHFFFAOYSA-N 1 1 289.329 3.432 20 30 CGEDMO N#Cc1c(C[N@@H+]2CCCC(F)(F)CC2)cn2ccccc12 ZINC000599551853 347753839 /nfs/dbraw/zinc/75/38/39/347753839.db2.gz SQPMNOZCFVMXKJ-UHFFFAOYSA-N 1 1 289.329 3.432 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000599619604 347758681 /nfs/dbraw/zinc/75/86/81/347758681.db2.gz LKNOIDOHTSSASS-UHFFFAOYSA-N 1 1 298.434 3.432 20 30 CGEDMO N#Cc1ccc(-c2cccc(CN3CCC([NH3+])CC3)c2)cc1 ZINC000600774752 347832896 /nfs/dbraw/zinc/83/28/96/347832896.db2.gz GVNCEIWKBOXRAU-UHFFFAOYSA-N 1 1 291.398 3.148 20 30 CGEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000602161927 347938924 /nfs/dbraw/zinc/93/89/24/347938924.db2.gz UNDSGMLCBIZJLC-SJORKVTESA-N 1 1 299.418 3.022 20 30 CGEDMO CC(C)[N@@H+](Cc1ccccc1)Cc1cccc(C#N)n1 ZINC000602423721 347955324 /nfs/dbraw/zinc/95/53/24/347955324.db2.gz DJSRHGCVGSBFLQ-UHFFFAOYSA-N 1 1 265.360 3.364 20 30 CGEDMO Cc1ccnc(N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1C#N ZINC000273318129 192110851 /nfs/dbraw/zinc/11/08/51/192110851.db2.gz JQGPLTIKTHZLRW-GJZGRUSLSA-N 1 1 298.434 3.327 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCCN(Cc2ccccc2)CC1 ZINC000602429445 347956392 /nfs/dbraw/zinc/95/63/92/347956392.db2.gz DMYJWYKKPHBLCB-QGZVFWFLSA-N 1 1 285.435 3.134 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C)CCOc1ccc(F)cc1 ZINC000602437965 347957953 /nfs/dbraw/zinc/95/79/53/347957953.db2.gz ZUYIXGIBRVLQNA-ZDUSSCGKSA-N 1 1 264.344 3.076 20 30 CGEDMO CC[N@H+](Cc1ccc(OC)cc1)C[C@@H](C)CCC#N ZINC000602439820 347958326 /nfs/dbraw/zinc/95/83/26/347958326.db2.gz NGVHKCGXLUEHIF-AWEZNQCLSA-N 1 1 260.381 3.457 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C)CCCOc1ccc(F)cc1 ZINC000602444355 347958801 /nfs/dbraw/zinc/95/88/01/347958801.db2.gz HKECMJYWTFOSFL-AWEZNQCLSA-N 1 1 278.371 3.466 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000602448042 347960148 /nfs/dbraw/zinc/96/01/48/347960148.db2.gz QNHYQJWYAUJGAE-OAHLLOKOSA-N 1 1 294.402 3.170 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)Cc1nccn1Cc1ccccc1 ZINC000602466286 347962949 /nfs/dbraw/zinc/96/29/49/347962949.db2.gz CAOROYOSQVNDHP-MRXNPFEDSA-N 1 1 296.418 3.303 20 30 CGEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@H](C)CCC#N)C1(C)C ZINC000602474362 347964617 /nfs/dbraw/zinc/96/46/17/347964617.db2.gz UWTDIILJPQDOCX-MGPQQGTHSA-N 1 1 252.402 3.062 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000602477531 347964884 /nfs/dbraw/zinc/96/48/84/347964884.db2.gz RRIUZAIQBPBLHI-SJLPKXTDSA-N 1 1 285.435 3.133 20 30 CGEDMO C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cc1cccc(C#N)n1 ZINC000602477940 347965299 /nfs/dbraw/zinc/96/52/99/347965299.db2.gz UTXATQGLAHAEKG-DOTOQJQBSA-N 1 1 291.398 3.406 20 30 CGEDMO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2cccc(C#N)n2)C1 ZINC000602485908 347967863 /nfs/dbraw/zinc/96/78/63/347967863.db2.gz RRNWOACYVCEZGF-GJZGRUSLSA-N 1 1 275.421 3.059 20 30 CGEDMO COc1ncc(C[NH2+][C@@H](CCC#N)c2ccccc2)s1 ZINC000602581846 347987907 /nfs/dbraw/zinc/98/79/07/347987907.db2.gz LEMXNAHDFFTUQZ-AWEZNQCLSA-N 1 1 287.388 3.286 20 30 CGEDMO N#Cc1cccc(C[NH2+][C@H]2CCCOc3cc(F)ccc32)n1 ZINC000602585828 347988976 /nfs/dbraw/zinc/98/89/76/347988976.db2.gz VLZAVHUPKYLGRZ-INIZCTEOSA-N 1 1 297.333 3.096 20 30 CGEDMO C[C@@H](CC1(C#N)CCOCC1)Nc1ccc2c(c1)[nH+]cn2C ZINC000602586457 347989674 /nfs/dbraw/zinc/98/96/74/347989674.db2.gz BWQOQTJNECRIIF-ZDUSSCGKSA-N 1 1 298.390 3.084 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000602614033 347994709 /nfs/dbraw/zinc/99/47/09/347994709.db2.gz AUJBBSRDTFNHQB-CRAIPNDOSA-N 1 1 286.419 3.199 20 30 CGEDMO CC(C)O[C@@H](C[NH2+]CC1(C#N)CC1)c1ccccc1 ZINC000602643249 347999688 /nfs/dbraw/zinc/99/96/88/347999688.db2.gz PCPLBMNIOFXUOD-HNNXBMFYSA-N 1 1 258.365 3.046 20 30 CGEDMO CC(C)(C)[C@@H]1CCC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602645234 348000038 /nfs/dbraw/zinc/00/00/38/348000038.db2.gz QOPYYEZIQGTNTE-CYBMUJFWSA-N 1 1 257.381 3.211 20 30 CGEDMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)CC1(CC#N)CC1 ZINC000602794727 348030100 /nfs/dbraw/zinc/03/01/00/348030100.db2.gz JHPRDQUSAWUZRP-XJKSGUPXSA-N 1 1 270.376 3.004 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000602688342 348009830 /nfs/dbraw/zinc/00/98/30/348009830.db2.gz AZHWKFWNBOQWJG-IRXDYDNUSA-N 1 1 285.435 3.133 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000602694279 348010402 /nfs/dbraw/zinc/01/04/02/348010402.db2.gz YVHUBPCRESFQTQ-HOCLYGCPSA-N 1 1 276.424 3.207 20 30 CGEDMO CCn1cc(C[N@@H+](C[C@@H](C)CCC#N)C(C)C)cn1 ZINC000602696788 348011020 /nfs/dbraw/zinc/01/10/20/348011020.db2.gz BVMVERVPMPMXPT-AWEZNQCLSA-N 1 1 262.401 3.053 20 30 CGEDMO N#CC1(C[NH2+]Cc2cc(Cl)cc(Cl)c2N)CCC1 ZINC000602698242 348012061 /nfs/dbraw/zinc/01/20/61/348012061.db2.gz MTPJOLBRMUGLRQ-UHFFFAOYSA-N 1 1 284.190 3.359 20 30 CGEDMO CCOC(=O)[C@@H]([NH2+]C[C@@H](C)CCC#N)C1CCCCCC1 ZINC000602706114 348013727 /nfs/dbraw/zinc/01/37/27/348013727.db2.gz ATDYJNCCHWOVQL-HOCLYGCPSA-N 1 1 294.439 3.418 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC[C@@H](c2ccc(O)cc2)C1 ZINC000602730009 348019900 /nfs/dbraw/zinc/01/99/00/348019900.db2.gz MKXJWHLKVLLHRX-UKRRQHHQSA-N 1 1 258.365 3.121 20 30 CGEDMO C=C(C)C[C@H]([NH2+]C1CCC(CSC)CC1)C(=O)OC ZINC000602735407 348021796 /nfs/dbraw/zinc/02/17/96/348021796.db2.gz WRVFCZFFVDWGEU-RUXDESIVSA-N 1 1 285.453 3.006 20 30 CGEDMO CC[C@]1(O)CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000602740916 348022436 /nfs/dbraw/zinc/02/24/36/348022436.db2.gz RCJOCICRNNLPGL-SFHVURJKSA-N 1 1 286.419 3.225 20 30 CGEDMO C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@H]1CN2CCC1CC2 ZINC000602746454 348023330 /nfs/dbraw/zinc/02/33/30/348023330.db2.gz DSEHOMXBTIOFAH-SFHVURJKSA-N 1 1 297.446 3.014 20 30 CGEDMO CN(Cc1ccc(C(C)(C)C#N)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000602746454 348023333 /nfs/dbraw/zinc/02/33/33/348023333.db2.gz DSEHOMXBTIOFAH-SFHVURJKSA-N 1 1 297.446 3.014 20 30 CGEDMO C[N@@H+](Cc1ccc(OC(F)F)cc1)CC1(CC#N)CC1 ZINC000602756105 348024170 /nfs/dbraw/zinc/02/41/70/348024170.db2.gz LAYABJAFWNZUHF-UHFFFAOYSA-N 1 1 280.318 3.414 20 30 CGEDMO C[N@H+](Cc1ccc(F)cc1F)CC1(CC#N)CC1 ZINC000602761246 348024390 /nfs/dbraw/zinc/02/43/90/348024390.db2.gz FELHNQQJGDJJDK-UHFFFAOYSA-N 1 1 250.292 3.090 20 30 CGEDMO C[N@@H+](Cc1ccc(F)cc1F)CC1(CC#N)CC1 ZINC000602761246 348024392 /nfs/dbraw/zinc/02/43/92/348024392.db2.gz FELHNQQJGDJJDK-UHFFFAOYSA-N 1 1 250.292 3.090 20 30 CGEDMO CC(C)C[N@@H+](CCc1cnccn1)Cc1ccc(C#N)cc1 ZINC000602766341 348025318 /nfs/dbraw/zinc/02/53/18/348025318.db2.gz QMXYPRHPZHYNRL-UHFFFAOYSA-N 1 1 294.402 3.049 20 30 CGEDMO N#CCC1(C[N@H+]2CCCO[C@@H](c3ccccc3)C2)CC1 ZINC000602773120 348026601 /nfs/dbraw/zinc/02/66/01/348026601.db2.gz QKZYOZJYCNDVOH-MRXNPFEDSA-N 1 1 270.376 3.144 20 30 CGEDMO N#Cc1cccc(C[NH2+]C2(c3ccc(Cl)cc3)CC2)n1 ZINC000602561433 347981893 /nfs/dbraw/zinc/98/18/93/347981893.db2.gz FOEKNCWOMACBSG-UHFFFAOYSA-N 1 1 283.762 3.386 20 30 CGEDMO C[C@H]1OCC[C@@H]1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000602801051 348031692 /nfs/dbraw/zinc/03/16/92/348031692.db2.gz YZIPVOMFDWCZMA-RDTXWAMCSA-N 1 1 282.387 3.072 20 30 CGEDMO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](CC2(CC#N)CC2)C1 ZINC000602807043 348032173 /nfs/dbraw/zinc/03/21/73/348032173.db2.gz HJXOYDFZOFKVDU-HIFRSBDPSA-N 1 1 255.365 3.158 20 30 CGEDMO Cn1cc(C2=CCC[N@@H+](CCC3(C#N)CCCCC3)C2)cn1 ZINC000602883949 348041099 /nfs/dbraw/zinc/04/10/99/348041099.db2.gz TVORWBVBNZJBLT-UHFFFAOYSA-N 1 1 298.434 3.373 20 30 CGEDMO C[N@@H+](C[C@H]1CCc2ccccc21)CC1(CC#N)CC1 ZINC000602904104 348042493 /nfs/dbraw/zinc/04/24/93/348042493.db2.gz IXALAPZXRMKQFX-OAHLLOKOSA-N 1 1 254.377 3.342 20 30 CGEDMO CCn1nc(C)c(C[N@@H+](C)Cc2ccc(C#N)cc2C)c1C ZINC000602927757 348046280 /nfs/dbraw/zinc/04/62/80/348046280.db2.gz YIYAMFHAWBXHIK-UHFFFAOYSA-N 1 1 296.418 3.332 20 30 CGEDMO C[N@H+](Cc1cc(F)cc2cccnc21)[C@H]1CCC[C@@H]1C#N ZINC000602977229 348049555 /nfs/dbraw/zinc/04/95/55/348049555.db2.gz ZIGPSMKNEYPPAY-CJNGLKHVSA-N 1 1 283.350 3.498 20 30 CGEDMO C[N@@H+](Cc1cc(F)cc2cccnc21)[C@H]1CCC[C@@H]1C#N ZINC000602977229 348049558 /nfs/dbraw/zinc/04/95/58/348049558.db2.gz ZIGPSMKNEYPPAY-CJNGLKHVSA-N 1 1 283.350 3.498 20 30 CGEDMO C[N@H+](CCc1cccc(F)c1F)[C@@H]1CCC[C@H]1C#N ZINC000602979635 348050060 /nfs/dbraw/zinc/05/00/60/348050060.db2.gz GPGXPXFWAAZGJY-GXTWGEPZSA-N 1 1 264.319 3.131 20 30 CGEDMO C[N@@H+](CCc1cccc(F)c1F)[C@@H]1CCC[C@H]1C#N ZINC000602979635 348050063 /nfs/dbraw/zinc/05/00/63/348050063.db2.gz GPGXPXFWAAZGJY-GXTWGEPZSA-N 1 1 264.319 3.131 20 30 CGEDMO COc1ncc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)c2ccccc21 ZINC000602981743 348051423 /nfs/dbraw/zinc/05/14/23/348051423.db2.gz IZSKJYTXFUAQBI-GUYCJALGSA-N 1 1 295.386 3.367 20 30 CGEDMO COc1ncc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)c2ccccc21 ZINC000602981743 348051427 /nfs/dbraw/zinc/05/14/27/348051427.db2.gz IZSKJYTXFUAQBI-GUYCJALGSA-N 1 1 295.386 3.367 20 30 CGEDMO C[N@@H+](C[C@@H]1C[C@H]1c1ccccc1)[C@H]1CCC[C@@H]1C#N ZINC000602981902 348051681 /nfs/dbraw/zinc/05/16/81/348051681.db2.gz KYVCRFACQOPWIA-QZWWFDLISA-N 1 1 254.377 3.414 20 30 CGEDMO C=CCCCCC[N@H+](C)CC(=O)N1CCc2ccccc21 ZINC000606902614 348206746 /nfs/dbraw/zinc/20/67/46/348206746.db2.gz FNCJELRODHOLHS-UHFFFAOYSA-N 1 1 286.419 3.254 20 30 CGEDMO C[C@H]1c2ccccc2OCC[N@@H+]1CCCSCC#N ZINC000610412589 348382467 /nfs/dbraw/zinc/38/24/67/348382467.db2.gz AUUSDYBMXOHVTG-ZDUSSCGKSA-N 1 1 276.405 3.089 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H](CCO)C1 ZINC000610859515 348406268 /nfs/dbraw/zinc/40/62/68/348406268.db2.gz FGJZJDNJSRORPC-HNNXBMFYSA-N 1 1 286.419 3.082 20 30 CGEDMO C[N@@H+](CCCCc1ccccc1)Cc1ccnc(C#N)c1 ZINC000610991777 348414195 /nfs/dbraw/zinc/41/41/95/348414195.db2.gz JJRCTTXHSNPACK-UHFFFAOYSA-N 1 1 279.387 3.408 20 30 CGEDMO CC[N@@H+](CCc1cccs1)Cc1ccnc(C#N)c1 ZINC000610992176 348415051 /nfs/dbraw/zinc/41/50/51/348415051.db2.gz IOGIIJIRHNMNAI-UHFFFAOYSA-N 1 1 271.389 3.079 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@]3(CC=CCC3)C2)ccn1 ZINC000610993448 348416707 /nfs/dbraw/zinc/41/67/07/348416707.db2.gz SUWRMTVKZMDIMX-KRWDZBQOSA-N 1 1 267.376 3.276 20 30 CGEDMO COCC[N@H+](CCC#N)CCC1C[C@@H](C)C[C@H](C)C1 ZINC000610681988 348395872 /nfs/dbraw/zinc/39/58/72/348395872.db2.gz GUJQHZNWDHVGFI-GJZGRUSLSA-N 1 1 266.429 3.311 20 30 CGEDMO COCC[N@@H+](CCC#N)CCC1C[C@@H](C)C[C@H](C)C1 ZINC000610681988 348395875 /nfs/dbraw/zinc/39/58/75/348395875.db2.gz GUJQHZNWDHVGFI-GJZGRUSLSA-N 1 1 266.429 3.311 20 30 CGEDMO CC(C)n1ccnc1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000611386906 348443374 /nfs/dbraw/zinc/44/33/74/348443374.db2.gz BOLAXRXDILSCSC-ZDUSSCGKSA-N 1 1 268.364 3.186 20 30 CGEDMO C[C@@H](CN[C@H]1CCCc2cc(C#N)ccc21)C[NH+]1CCCC1 ZINC000611391136 348444316 /nfs/dbraw/zinc/44/43/16/348444316.db2.gz UUKZGRUPNLKLIE-KXBFYZLASA-N 1 1 297.446 3.257 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000611390994 348444643 /nfs/dbraw/zinc/44/46/43/348444643.db2.gz YZVQOPIMAKNVBF-HNAYVOBHSA-N 1 1 295.430 3.010 20 30 CGEDMO C[NH+](C)CC(C)(C)CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000611390102 348444729 /nfs/dbraw/zinc/44/47/29/348444729.db2.gz CCEXDNXTIJJPIG-KRWDZBQOSA-N 1 1 285.435 3.113 20 30 CGEDMO CN(C)CC(C)(C)C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611390102 348444731 /nfs/dbraw/zinc/44/47/31/348444731.db2.gz CCEXDNXTIJJPIG-KRWDZBQOSA-N 1 1 285.435 3.113 20 30 CGEDMO Cc1cc(C[C@@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)n[nH]1 ZINC000611394590 348446538 /nfs/dbraw/zinc/44/65/38/348446538.db2.gz RSWCQJFWJUWBSH-XIKOKIGWSA-N 1 1 294.402 3.188 20 30 CGEDMO C[C@@H]1Cc2ccccc2N1C1CC[NH+](CC2(C#N)CC2)CC1 ZINC000611430555 348451789 /nfs/dbraw/zinc/45/17/89/348451789.db2.gz FZILRJJNWXSYIW-OAHLLOKOSA-N 1 1 295.430 3.206 20 30 CGEDMO C[C@H](C#N)C[N@H+](Cc1cccc2cnccc21)C1CC1 ZINC000611960577 348483065 /nfs/dbraw/zinc/48/30/65/348483065.db2.gz RVUWUUUIUMUERK-CYBMUJFWSA-N 1 1 265.360 3.359 20 30 CGEDMO C[C@H](C#N)C[N@@H+](Cc1cccc2cnccc21)C1CC1 ZINC000611960577 348483068 /nfs/dbraw/zinc/48/30/68/348483068.db2.gz RVUWUUUIUMUERK-CYBMUJFWSA-N 1 1 265.360 3.359 20 30 CGEDMO Cc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)o1 ZINC000612203762 348501515 /nfs/dbraw/zinc/50/15/15/348501515.db2.gz LSWPQORZZKTVDC-NSHDSACASA-N 1 1 258.296 3.450 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)[C@@H](C)CO1 ZINC000614160057 348653776 /nfs/dbraw/zinc/65/37/76/348653776.db2.gz LVPDHCNXJXYEPX-UONOGXRCSA-N 1 1 272.392 3.097 20 30 CGEDMO CCOCC[N@@H+](CC)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614167315 348654201 /nfs/dbraw/zinc/65/42/01/348654201.db2.gz NSXQZENWXDLUHA-UHFFFAOYSA-N 1 1 274.408 3.346 20 30 CGEDMO COCC1=CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614221800 348660075 /nfs/dbraw/zinc/66/00/75/348660075.db2.gz KFUPMFMVMCZLSN-UHFFFAOYSA-N 1 1 284.403 3.266 20 30 CGEDMO C[C@H]([NH2+]Cc1ccccc1C#N)c1ccc([S@@](C)=O)cc1 ZINC000339501613 215213482 /nfs/dbraw/zinc/21/34/82/215213482.db2.gz JLAFMFLBIRFBIR-YEJXKQKISA-N 1 1 298.411 3.146 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+](Cc1ccccc1)C[C@H](C)O ZINC000614400816 348673688 /nfs/dbraw/zinc/67/36/88/348673688.db2.gz HFZMYRLKVMSIHG-INIZCTEOSA-N 1 1 294.398 3.250 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000614407639 348674986 /nfs/dbraw/zinc/67/49/86/348674986.db2.gz UIQKUVXHWKOTLY-CQSZACIVSA-N 1 1 280.318 3.070 20 30 CGEDMO CCO[C@H]1CCC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000614461760 348677991 /nfs/dbraw/zinc/67/79/91/348677991.db2.gz VVPKOPLIVGACTK-CJNGLKHVSA-N 1 1 258.365 3.120 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C(F)F)C1 ZINC000615444966 348740480 /nfs/dbraw/zinc/74/04/80/348740480.db2.gz RAIUEDILZFYPJA-GXFFZTMASA-N 1 1 250.292 3.206 20 30 CGEDMO CCn1ccc(C[N@@H+](C)Cc2ccc(F)c(C#N)c2)c1 ZINC000616786252 348877554 /nfs/dbraw/zinc/87/75/54/348877554.db2.gz QODWJTBGJMSPDX-UHFFFAOYSA-N 1 1 271.339 3.151 20 30 CGEDMO CCn1ccc(C[N@@H+](C)CCCOc2cccc(C#N)c2)c1 ZINC000616786109 348877952 /nfs/dbraw/zinc/87/79/52/348877952.db2.gz ILPUKSUNYDRKGM-UHFFFAOYSA-N 1 1 297.402 3.281 20 30 CGEDMO Cc1ncsc1C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000358563356 233155748 /nfs/dbraw/zinc/15/57/48/233155748.db2.gz WEYQWVSVFIIZQD-SECBINFHSA-N 1 1 275.352 3.313 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000618304557 349068046 /nfs/dbraw/zinc/06/80/46/349068046.db2.gz PFDMOZUPUBZBPD-GFCCVEGCSA-N 1 1 274.355 3.410 20 30 CGEDMO COCC[N@H+](CCC#N)CC[C@H](C)c1ccccc1 ZINC000618593626 349116093 /nfs/dbraw/zinc/11/60/93/349116093.db2.gz BZARBSRZVKAEQZ-HNNXBMFYSA-N 1 1 260.381 3.042 20 30 CGEDMO COCC[N@@H+](CCC#N)CC[C@H](C)c1ccccc1 ZINC000618593626 349116094 /nfs/dbraw/zinc/11/60/94/349116094.db2.gz BZARBSRZVKAEQZ-HNNXBMFYSA-N 1 1 260.381 3.042 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000619551254 349258733 /nfs/dbraw/zinc/25/87/33/349258733.db2.gz FOFJHXTUASQYDL-MISXGVKJSA-N 1 1 291.757 3.368 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ncc(C)c(OC)c2C)C1 ZINC000625699546 350197380 /nfs/dbraw/zinc/19/73/80/350197380.db2.gz AIHQBYNPHUJGAI-CQSZACIVSA-N 1 1 260.381 3.105 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2nc(CCC(C)C)no2)C1 ZINC000625701422 350198534 /nfs/dbraw/zinc/19/85/34/350198534.db2.gz RHPWSXXEEHSERM-ZDUSSCGKSA-N 1 1 263.385 3.056 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2nccn2-c2ccccc2)C1 ZINC000625702751 350199934 /nfs/dbraw/zinc/19/99/34/350199934.db2.gz OOOSOLYZYQYFFP-HNNXBMFYSA-N 1 1 267.376 3.270 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1cccc(Cl)c1C)C1CC1 ZINC000271351938 191090849 /nfs/dbraw/zinc/09/08/49/191090849.db2.gz DLEWUZSHZOFARY-UHFFFAOYSA-N 1 1 278.783 3.237 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1cccc(Cl)c1C)C1CC1 ZINC000271351938 191090852 /nfs/dbraw/zinc/09/08/52/191090852.db2.gz DLEWUZSHZOFARY-UHFFFAOYSA-N 1 1 278.783 3.237 20 30 CGEDMO C=CCCCC[N@H+](C)[C@H](CO)c1ccc(OC)cc1 ZINC000518084629 260341428 /nfs/dbraw/zinc/34/14/28/260341428.db2.gz QDABWTPHFFUEJH-MRXNPFEDSA-N 1 1 263.381 3.017 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2c(C3CCC3)cnn2C)C1 ZINC000628406565 350529736 /nfs/dbraw/zinc/52/97/36/350529736.db2.gz MIPFRQTYZBEIHK-ZDUSSCGKSA-N 1 1 259.397 3.086 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000628544294 350573216 /nfs/dbraw/zinc/57/32/16/350573216.db2.gz AAVUYEDJUBWNCW-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[C@@H](NC(=O)C[N@H+](C)C1CCC1)c1ccccc1 ZINC000629974726 350792984 /nfs/dbraw/zinc/79/29/84/350792984.db2.gz LPMDNTUFEURGQX-QGZVFWFLSA-N 1 1 286.419 3.294 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000122767686 187050434 /nfs/dbraw/zinc/05/04/34/187050434.db2.gz SDRMEXRJFYSTLJ-OLZOCXBDSA-N 1 1 258.365 3.045 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCc1ccccn1 ZINC000122886615 187057454 /nfs/dbraw/zinc/05/74/54/187057454.db2.gz ZJJWGZGNQRDTTI-CQSZACIVSA-N 1 1 265.360 3.189 20 30 CGEDMO CCCO[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000124036947 187119921 /nfs/dbraw/zinc/11/99/21/187119921.db2.gz SZLPIMCNTVFXNH-ZDUSSCGKSA-N 1 1 278.421 3.401 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2nc(C3CC3)cs2)s1 ZINC000131132070 187543331 /nfs/dbraw/zinc/54/33/31/187543331.db2.gz JQJZNAJFCGGDBH-UHFFFAOYSA-N 1 1 275.402 3.243 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(F)cc1)[C@@H](CCO)c1ccccc1 ZINC000153881906 188109686 /nfs/dbraw/zinc/10/96/86/188109686.db2.gz JFOYVNGFSOSJRH-IBGZPJMESA-N 1 1 297.373 3.233 20 30 CGEDMO CC#CCC[N@H+](CCC)CC(=O)Nc1ccccc1C ZINC000155067804 188180405 /nfs/dbraw/zinc/18/04/05/188180405.db2.gz AEWZLERNNUBCAH-UHFFFAOYSA-N 1 1 272.392 3.059 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)Nc1cc(F)ccc1F ZINC000155136463 188185922 /nfs/dbraw/zinc/18/59/22/188185922.db2.gz ACLZNPCDIDFSCV-NSHDSACASA-N 1 1 282.334 3.190 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)s1 ZINC000369596479 234386972 /nfs/dbraw/zinc/38/69/72/234386972.db2.gz JLQDILJOKMZIEU-ARFHVFGLSA-N 1 1 290.432 3.135 20 30 CGEDMO Fc1ccc(C#CC[N@@H+]2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000157673216 188331562 /nfs/dbraw/zinc/33/15/62/188331562.db2.gz WRMPSYCHISBVPV-QGZVFWFLSA-N 1 1 268.335 3.342 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000157673216 188331563 /nfs/dbraw/zinc/33/15/63/188331563.db2.gz WRMPSYCHISBVPV-QGZVFWFLSA-N 1 1 268.335 3.342 20 30 CGEDMO CCC[N@@H+](Cc1c[nH]nc1C)Cc1ccc(C#N)cc1 ZINC000119278861 370661632 /nfs/dbraw/zinc/66/16/32/370661632.db2.gz HATPVVFNANGEAR-UHFFFAOYSA-N 1 1 268.364 3.002 20 30 CGEDMO N#Cc1ccc(SCCC[NH+]2CCOCC2)c(Cl)c1 ZINC000163285436 188603553 /nfs/dbraw/zinc/60/35/53/188603553.db2.gz FENYWRSMKFLVJH-UHFFFAOYSA-N 1 1 296.823 3.026 20 30 CGEDMO CCC[N@H+]1CC[C@@H](CN[C@@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000271900030 191398219 /nfs/dbraw/zinc/39/82/19/191398219.db2.gz AFMKHIPPWFFTND-KBPBESRZSA-N 1 1 289.398 3.080 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)cc1 ZINC000449543563 283143930 /nfs/dbraw/zinc/14/39/30/283143930.db2.gz SZPQWEKKPOZQHU-SJORKVTESA-N 1 1 252.361 3.179 20 30 CGEDMO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1cn3ccsc3n1)CC2 ZINC000353261445 283198888 /nfs/dbraw/zinc/19/88/88/283198888.db2.gz GSYAOQCQVCUCOW-OAHLLOKOSA-N 1 1 294.383 3.045 20 30 CGEDMO COc1ccccc1CC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000104709806 138351106 /nfs/dbraw/zinc/35/11/06/138351106.db2.gz VFBMWRBSVYDIHX-UHFFFAOYSA-N 1 1 298.361 3.380 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)o1 ZINC000093690059 138348104 /nfs/dbraw/zinc/34/81/04/138348104.db2.gz KQOJTWCCFKIAMK-UONOGXRCSA-N 1 1 262.378 3.011 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC1(O)CCC(C)CC1 ZINC000425532151 236257673 /nfs/dbraw/zinc/25/76/73/236257673.db2.gz ILPZWRLZIUORMZ-SWKXRBFHSA-N 1 1 286.419 3.492 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000336232905 213062530 /nfs/dbraw/zinc/06/25/30/213062530.db2.gz GYQRNNPARAVHPN-RISCZKNCSA-N 1 1 298.308 3.008 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000336232905 213062532 /nfs/dbraw/zinc/06/25/32/213062532.db2.gz GYQRNNPARAVHPN-RISCZKNCSA-N 1 1 298.308 3.008 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(F)cn1 ZINC000425536957 236258841 /nfs/dbraw/zinc/25/88/41/236258841.db2.gz PTAUARBISQTVLK-GFCCVEGCSA-N 1 1 269.323 3.285 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(F)cn1 ZINC000425536957 236258843 /nfs/dbraw/zinc/25/88/43/236258843.db2.gz PTAUARBISQTVLK-GFCCVEGCSA-N 1 1 269.323 3.285 20 30 CGEDMO COC[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1ccccc1 ZINC000341636521 216044864 /nfs/dbraw/zinc/04/48/64/216044864.db2.gz IKRKRVHEJTUBMS-MRXNPFEDSA-N 1 1 284.334 3.175 20 30 CGEDMO N#Cc1ccc(C[NH+]2CC(COc3ccccc3)C2)s1 ZINC000297364462 200164172 /nfs/dbraw/zinc/16/41/72/200164172.db2.gz HXQQJHMNMDTVTB-UHFFFAOYSA-N 1 1 284.384 3.131 20 30 CGEDMO C=CC[NH+]1CCC(N[C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000177909451 189078259 /nfs/dbraw/zinc/07/82/59/189078259.db2.gz YEWRHBPFNSINIQ-LBPRGKRZSA-N 1 1 280.362 3.266 20 30 CGEDMO C[C@H]1CC[C@@](CO)([N@@H+](C)Cc2ccc(C#N)cc2Cl)C1 ZINC000439450777 238255944 /nfs/dbraw/zinc/25/59/44/238255944.db2.gz WYGIJUAUAYFHAW-BLLLJJGKSA-N 1 1 292.810 3.195 20 30 CGEDMO N#Cc1cccc(C[N@@H+](Cc2cccnc2)C2CC2)c1 ZINC000180284128 189248443 /nfs/dbraw/zinc/24/84/43/189248443.db2.gz CIRJFHQFPREDSM-UHFFFAOYSA-N 1 1 263.344 3.118 20 30 CGEDMO CN(C)c1cccc(C[N@@H+](C)Cc2ccc(C#N)s2)c1 ZINC000180207257 189242931 /nfs/dbraw/zinc/24/29/31/189242931.db2.gz BHGQUYFMLCBDTE-UHFFFAOYSA-N 1 1 285.416 3.318 20 30 CGEDMO CS[C@@H]1CCCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000180754275 189273628 /nfs/dbraw/zinc/27/36/28/189273628.db2.gz YHXYNKQJWPPKKM-GFCCVEGCSA-N 1 1 266.435 3.337 20 30 CGEDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000119382252 370672416 /nfs/dbraw/zinc/67/24/16/370672416.db2.gz MHNJXQBXRGGNJO-ZDUSSCGKSA-N 1 1 298.361 3.466 20 30 CGEDMO CC(=O)c1ccc(C#N)cc1N(C)CC[C@H]1CCCC[N@H+]1C ZINC000302103716 201341673 /nfs/dbraw/zinc/34/16/73/201341673.db2.gz MJTDXCFEPWIPMW-MRXNPFEDSA-N 1 1 299.418 3.071 20 30 CGEDMO CC(=O)c1ccc(C#N)cc1NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000302110096 201343602 /nfs/dbraw/zinc/34/36/02/201343602.db2.gz PCQGEHKMIDRBNL-INIZCTEOSA-N 1 1 299.418 3.151 20 30 CGEDMO CC(C)(C#N)CCC[N@@H+](Cc1cccnc1)C1CC1 ZINC000119759769 370707441 /nfs/dbraw/zinc/70/74/41/370707441.db2.gz DJTOBCMJAJKDJN-UHFFFAOYSA-N 1 1 257.381 3.376 20 30 CGEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)C1(C)C ZINC000120574385 370781812 /nfs/dbraw/zinc/78/18/12/370781812.db2.gz YKVXGTFHSSNLET-CVEARBPZSA-N 1 1 272.392 3.194 20 30 CGEDMO CCO[C@@H]1CC[N@H+]([C@H](C)c2cccc(C#N)c2)C[C@@H]1C ZINC000451551795 240324736 /nfs/dbraw/zinc/32/47/36/240324736.db2.gz XYQWVKBYMIYFPS-JJRVBVJISA-N 1 1 272.392 3.366 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2CCSC[C@H]2C2CC2)c1 ZINC000451643846 240340596 /nfs/dbraw/zinc/34/05/96/240340596.db2.gz ADGOQFFSYHICRM-HNNXBMFYSA-N 1 1 276.380 3.025 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCSC[C@H]2C2CC2)c1 ZINC000451643846 240340601 /nfs/dbraw/zinc/34/06/01/240340601.db2.gz ADGOQFFSYHICRM-HNNXBMFYSA-N 1 1 276.380 3.025 20 30 CGEDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(C#N)c2F)C12CCC2 ZINC000451856655 240370731 /nfs/dbraw/zinc/37/07/31/240370731.db2.gz SWDFWWDEAVOHNQ-CABCVRRESA-N 1 1 288.366 3.087 20 30 CGEDMO C=CC[N@@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000121190723 370837453 /nfs/dbraw/zinc/83/74/53/370837453.db2.gz ZAZQKKDJSCTBCK-NSHDSACASA-N 1 1 266.772 3.093 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000121190723 370837458 /nfs/dbraw/zinc/83/74/58/370837458.db2.gz ZAZQKKDJSCTBCK-NSHDSACASA-N 1 1 266.772 3.093 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1C[C@@H](C)CC[C@@H]1C ZINC000121102004 370828919 /nfs/dbraw/zinc/82/89/19/370828919.db2.gz MLRYVILHZVDTAB-STQMWFEESA-N 1 1 258.365 3.187 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+](C)[C@H](C)c1cccc(O)c1 ZINC000121404061 370858517 /nfs/dbraw/zinc/85/85/17/370858517.db2.gz WWCLKNDDAUOTCG-CYBMUJFWSA-N 1 1 296.370 3.465 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@H](C)c1cccc(O)c1 ZINC000121404061 370858521 /nfs/dbraw/zinc/85/85/21/370858521.db2.gz WWCLKNDDAUOTCG-CYBMUJFWSA-N 1 1 296.370 3.465 20 30 CGEDMO CC(C)[C@@H]1CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459451243 242112321 /nfs/dbraw/zinc/11/23/21/242112321.db2.gz WZKJCUVMOQPVET-CQSZACIVSA-N 1 1 287.363 3.334 20 30 CGEDMO CC(C)[C@@H]1CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459451243 242112324 /nfs/dbraw/zinc/11/23/24/242112324.db2.gz WZKJCUVMOQPVET-CQSZACIVSA-N 1 1 287.363 3.334 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459794176 242238251 /nfs/dbraw/zinc/23/82/51/242238251.db2.gz MKJNIJQBOFOZJG-MDASCCDHSA-N 1 1 298.430 3.492 20 30 CGEDMO Cc1cc(C[N@@H+](C)CCOc2ccccc2)ccc1C#N ZINC000486803808 243372863 /nfs/dbraw/zinc/37/28/63/243372863.db2.gz WODVGEMSBNJJQY-UHFFFAOYSA-N 1 1 280.371 3.378 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(F)cc1)Cc1ccc(C#N)cc1 ZINC000122123261 370904021 /nfs/dbraw/zinc/90/40/21/370904021.db2.gz QZZWULAWFZTGDI-UHFFFAOYSA-N 1 1 278.330 3.181 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)N(CC)c1ccccc1 ZINC000124000711 370917359 /nfs/dbraw/zinc/91/73/59/370917359.db2.gz YMULCIDWWJMISF-OAHLLOKOSA-N 1 1 274.408 3.326 20 30 CGEDMO CC(C)[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CCCC1 ZINC000126003468 370943156 /nfs/dbraw/zinc/94/31/56/370943156.db2.gz LVEVNQFPHYAJTD-QGZVFWFLSA-N 1 1 272.392 3.245 20 30 CGEDMO C[C@H]1CCC[C@@H]([N@@H+](C)CC(=O)Nc2sccc2C#N)C1 ZINC000026469552 368859738 /nfs/dbraw/zinc/85/97/38/368859738.db2.gz QXPWCFRKNABRNX-WCQYABFASA-N 1 1 291.420 3.069 20 30 CGEDMO CC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000030144612 368901131 /nfs/dbraw/zinc/90/11/31/368901131.db2.gz YWBNNOUZVHLDDB-AWEZNQCLSA-N 1 1 285.391 3.009 20 30 CGEDMO CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000030144603 368901162 /nfs/dbraw/zinc/90/11/62/368901162.db2.gz BXCUMIUBOHDEIK-CQSZACIVSA-N 1 1 285.391 3.009 20 30 CGEDMO CC[C@@H]1CCCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000034651725 368976881 /nfs/dbraw/zinc/97/68/81/368976881.db2.gz IPHLHBBRYWBGFM-OAHLLOKOSA-N 1 1 258.365 3.202 20 30 CGEDMO COc1cccc(C[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000042268034 369208626 /nfs/dbraw/zinc/20/86/26/369208626.db2.gz FRZNVHIDUQNNGU-UHFFFAOYSA-N 1 1 266.344 3.199 20 30 CGEDMO C[N@@H+](CCOc1ccc(C#N)cc1)Cc1ccc(F)cc1 ZINC000042267812 369208832 /nfs/dbraw/zinc/20/88/32/369208832.db2.gz CXXVVBMTMZWQSZ-UHFFFAOYSA-N 1 1 284.334 3.208 20 30 CGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H]2C2CCCC2)cc1 ZINC000045073648 369274600 /nfs/dbraw/zinc/27/46/00/369274600.db2.gz YDQKULJHVOPUHV-MSOLQXFVSA-N 1 1 284.403 3.246 20 30 CGEDMO CCC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)CC1CC1 ZINC000048993397 369381664 /nfs/dbraw/zinc/38/16/64/369381664.db2.gz AXTGMQCGSSPSSW-UHFFFAOYSA-N 1 1 285.391 3.009 20 30 CGEDMO N#CCCC[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000050963937 369444929 /nfs/dbraw/zinc/44/49/29/369444929.db2.gz MJSAORDMZLWFKP-INIZCTEOSA-N 1 1 276.355 3.110 20 30 CGEDMO COc1ccc(C[N@@H+](CCC#N)[C@H](C)C2CC2)cc1 ZINC000053097827 369478172 /nfs/dbraw/zinc/47/81/72/369478172.db2.gz TZXWALVRIOMNSN-CYBMUJFWSA-N 1 1 258.365 3.209 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@](C)(O)C2)cc1Cl ZINC000129409439 370986304 /nfs/dbraw/zinc/98/63/04/370986304.db2.gz AQULPAADDUOEMG-INIZCTEOSA-N 1 1 295.810 3.252 20 30 CGEDMO CC[N@H+]1CCC[C@@H]1CNc1ccc(C#N)c(Cl)c1 ZINC000061845869 369608570 /nfs/dbraw/zinc/60/85/70/369608570.db2.gz YNSJONXUQMCDDQ-CYBMUJFWSA-N 1 1 263.772 3.108 20 30 CGEDMO C[C@H](CC#N)[N@H+](C)CCCOc1cccc(Cl)c1 ZINC000064932202 369662611 /nfs/dbraw/zinc/66/26/11/369662611.db2.gz VXQVQZOSBRYINE-GFCCVEGCSA-N 1 1 266.772 3.343 20 30 CGEDMO C[C@H](CC#N)[N@@H+](C)CCCOc1cccc(Cl)c1 ZINC000064932202 369662614 /nfs/dbraw/zinc/66/26/14/369662614.db2.gz VXQVQZOSBRYINE-GFCCVEGCSA-N 1 1 266.772 3.343 20 30 CGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@H]1C ZINC000072874656 369843529 /nfs/dbraw/zinc/84/35/29/369843529.db2.gz BYMRBWLFKGTSMG-QWRGUYRKSA-N 1 1 291.782 3.023 20 30 CGEDMO C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000072874139 369843671 /nfs/dbraw/zinc/84/36/71/369843671.db2.gz JNTNNFNSZQCMDG-NSHDSACASA-N 1 1 291.782 3.025 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000074020816 369869291 /nfs/dbraw/zinc/86/92/91/369869291.db2.gz YNABWUFQTUQEDE-UHFFFAOYSA-N 1 1 288.391 3.116 20 30 CGEDMO C=CC[N@H+](CCCSC)Cc1cccc([N+](=O)[O-])c1 ZINC000075674185 369915794 /nfs/dbraw/zinc/91/57/94/369915794.db2.gz HQBKGRDHYYLTSG-UHFFFAOYSA-N 1 1 280.393 3.336 20 30 CGEDMO N#CCCCC[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000075865662 369919166 /nfs/dbraw/zinc/91/91/66/369919166.db2.gz RZNGGCFYJCMWSD-KRWDZBQOSA-N 1 1 272.392 3.219 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@@H]1CC[C@H](SCC)C1 ZINC000076069578 369928983 /nfs/dbraw/zinc/92/89/83/369928983.db2.gz DCLVGXGKQNKJRM-CABCVRRESA-N 1 1 298.496 3.017 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)N(Cc1ccccc1)C1CC1 ZINC000076733728 369942021 /nfs/dbraw/zinc/94/20/21/369942021.db2.gz JULHIPLESLBGOE-UHFFFAOYSA-N 1 1 286.419 3.076 20 30 CGEDMO NC(=[NH+]OCc1ncc(-c2ccccc2)o1)C1CCCC1 ZINC000089126034 370038108 /nfs/dbraw/zinc/03/81/08/370038108.db2.gz AACMHUNULOWVPO-UHFFFAOYSA-N 1 1 285.347 3.321 20 30 CGEDMO CCOc1cc(C[N@H+](CC)C[C@H](C)C#N)ccc1OC ZINC000091983083 370085804 /nfs/dbraw/zinc/08/58/04/370085804.db2.gz QFBHBUZZIPHXLJ-CYBMUJFWSA-N 1 1 276.380 3.075 20 30 CGEDMO CCOc1cc(C[N@@H+](CC)C[C@H](C)C#N)ccc1OC ZINC000091983083 370085807 /nfs/dbraw/zinc/08/58/07/370085807.db2.gz QFBHBUZZIPHXLJ-CYBMUJFWSA-N 1 1 276.380 3.075 20 30 CGEDMO CCC1(CC)[C@H]([N@@H+](C)Cc2ccc(C#N)o2)C[C@@H]1OC ZINC000092042884 370089435 /nfs/dbraw/zinc/08/94/35/370089435.db2.gz MCBXSFSXXZFEJW-CABCVRRESA-N 1 1 276.380 3.177 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1ccc(-n2cncn2)cc1 ZINC000093498057 370135883 /nfs/dbraw/zinc/13/58/83/370135883.db2.gz UQADJIZEJYKVGD-UHFFFAOYSA-N 1 1 284.407 3.446 20 30 CGEDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)CC(C)(C)CCC#N)C1(C)C ZINC000093871951 370164594 /nfs/dbraw/zinc/16/45/94/370164594.db2.gz IIIUWHACWXMBLQ-CJNGLKHVSA-N 1 1 266.429 3.452 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000102669920 370308535 /nfs/dbraw/zinc/30/85/35/370308535.db2.gz FORCVZJOLAKBBZ-HZPDHXFCSA-N 1 1 288.435 3.193 20 30 CGEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000130670352 371051030 /nfs/dbraw/zinc/05/10/30/371051030.db2.gz DBAJTMLGCCWFHO-INIZCTEOSA-N 1 1 298.365 3.374 20 30 CGEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000130670352 371051035 /nfs/dbraw/zinc/05/10/35/371051035.db2.gz DBAJTMLGCCWFHO-INIZCTEOSA-N 1 1 298.365 3.374 20 30 CGEDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000130350244 371027323 /nfs/dbraw/zinc/02/73/23/371027323.db2.gz NCHLIRLAWQUZHS-IAGOWNOFSA-N 1 1 291.822 3.317 20 30 CGEDMO CCn1cc(C[NH2+][C@H](CCC#N)c2ccccc2)cn1 ZINC000130415929 371032258 /nfs/dbraw/zinc/03/22/58/371032258.db2.gz NOMKTPXYRPMNPS-MRXNPFEDSA-N 1 1 268.364 3.038 20 30 CGEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC000130522013 371039573 /nfs/dbraw/zinc/03/95/73/371039573.db2.gz QYCUPDHESFNWSY-MRXNPFEDSA-N 1 1 280.375 3.235 20 30 CGEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1ccccc1C#N ZINC000130522013 371039581 /nfs/dbraw/zinc/03/95/81/371039581.db2.gz QYCUPDHESFNWSY-MRXNPFEDSA-N 1 1 280.375 3.235 20 30 CGEDMO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)CCCCC#N ZINC000134229234 371313768 /nfs/dbraw/zinc/31/37/68/371313768.db2.gz MFVMOQGVGPWSIP-CJNGLKHVSA-N 1 1 258.365 3.004 20 30 CGEDMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)CCCCC#N ZINC000134229257 371313821 /nfs/dbraw/zinc/31/38/21/371313821.db2.gz MFVMOQGVGPWSIP-XJKSGUPXSA-N 1 1 258.365 3.004 20 30 CGEDMO CC[C@H]1CCCCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000134726482 371360926 /nfs/dbraw/zinc/36/09/26/371360926.db2.gz BHEYZHJAUPTBQX-INIZCTEOSA-N 1 1 285.391 3.151 20 30 CGEDMO C[C@H]([NH2+]Cc1cn2ccsc2n1)c1ccc(C#N)cc1 ZINC000148672241 371524192 /nfs/dbraw/zinc/52/41/92/371524192.db2.gz OPFGPAXARXJKLB-NSHDSACASA-N 1 1 282.372 3.118 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000287258416 371629692 /nfs/dbraw/zinc/62/96/92/371629692.db2.gz HENUOCFTXDAEAG-SNVBAGLBSA-N 1 1 289.301 3.278 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000287258416 371629695 /nfs/dbraw/zinc/62/96/95/371629695.db2.gz HENUOCFTXDAEAG-SNVBAGLBSA-N 1 1 289.301 3.278 20 30 CGEDMO C=CCCC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000288264367 371732965 /nfs/dbraw/zinc/73/29/65/371732965.db2.gz GQAMDEJAQHBMSK-LJQANCHMSA-N 1 1 298.430 3.077 20 30 CGEDMO CCC[C@@]1(CO)CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000288779842 371745071 /nfs/dbraw/zinc/74/50/71/371745071.db2.gz KGHULRXRYJEQJA-QGZVFWFLSA-N 1 1 291.822 3.176 20 30 CGEDMO Cc1cnn([C@H]2CC[N@H+]([C@@H](C)c3cccc(C#N)c3)C2)c1 ZINC000289739474 371805839 /nfs/dbraw/zinc/80/58/39/371805839.db2.gz DWCVANYPGYHNFP-YOEHRIQHSA-N 1 1 280.375 3.071 20 30 CGEDMO CCOC1CC2(C1)CC[N@@H+](Cc1ccc(C#N)s1)C2 ZINC000289747034 371808745 /nfs/dbraw/zinc/80/87/45/371808745.db2.gz QKFDABVDLGDOSE-UHFFFAOYSA-N 1 1 276.405 3.011 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCOc2cccc(C#N)c2)CCC1(F)F ZINC000289976158 371866843 /nfs/dbraw/zinc/86/68/43/371866843.db2.gz XJKSODMGJQATRI-CYBMUJFWSA-N 1 1 294.345 3.304 20 30 CGEDMO N#Cc1c(C[N@H+]2CCC[C@@H](C3CC3)C2)cn2ccccc12 ZINC000344105429 217051779 /nfs/dbraw/zinc/05/17/79/217051779.db2.gz PLYYGIIPNIVXJE-OAHLLOKOSA-N 1 1 279.387 3.433 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+](C)[C@@H](C)c1ccco1 ZINC000156396779 371977422 /nfs/dbraw/zinc/97/74/22/371977422.db2.gz WLPLSYHARPPGMG-LBPRGKRZSA-N 1 1 270.332 3.353 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000156396779 371977423 /nfs/dbraw/zinc/97/74/23/371977423.db2.gz WLPLSYHARPPGMG-LBPRGKRZSA-N 1 1 270.332 3.353 20 30 CGEDMO COc1cc(C[N@H+](Cc2cccnc2)C2CC2)ccc1C#N ZINC000290414235 371985212 /nfs/dbraw/zinc/98/52/12/371985212.db2.gz KFIMWQGRKWCSIG-UHFFFAOYSA-N 1 1 293.370 3.126 20 30 CGEDMO COc1cc(C[N@@H+](Cc2cccnc2)C2CC2)ccc1C#N ZINC000290414235 371985217 /nfs/dbraw/zinc/98/52/17/371985217.db2.gz KFIMWQGRKWCSIG-UHFFFAOYSA-N 1 1 293.370 3.126 20 30 CGEDMO Cc1cnc(CC[N@@H+](C)Cc2ccc(F)cc2C#N)s1 ZINC000157421499 372020535 /nfs/dbraw/zinc/02/05/35/372020535.db2.gz GUKPWUYZJRFNAH-UHFFFAOYSA-N 1 1 289.379 3.137 20 30 CGEDMO Cc1cnc(CC[N@H+](C)Cc2ccc(F)cc2C#N)s1 ZINC000157421499 372020539 /nfs/dbraw/zinc/02/05/39/372020539.db2.gz GUKPWUYZJRFNAH-UHFFFAOYSA-N 1 1 289.379 3.137 20 30 CGEDMO CC[N@@H+](CCOc1ccc(C#N)cc1OC)C1CCCC1 ZINC000157587847 372028399 /nfs/dbraw/zinc/02/83/99/372028399.db2.gz IWWINXSNGMDIFU-UHFFFAOYSA-N 1 1 288.391 3.210 20 30 CGEDMO C[N@H+](CCOc1ccccc1)Cc1cc(F)ccc1C#N ZINC000157888975 372041437 /nfs/dbraw/zinc/04/14/37/372041437.db2.gz BATJXXLUMLYAQC-UHFFFAOYSA-N 1 1 284.334 3.208 20 30 CGEDMO C[N@@H+](CCOc1ccccc1)Cc1cc(F)ccc1C#N ZINC000157888975 372041443 /nfs/dbraw/zinc/04/14/43/372041443.db2.gz BATJXXLUMLYAQC-UHFFFAOYSA-N 1 1 284.334 3.208 20 30 CGEDMO CC#CC[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000157929979 372044354 /nfs/dbraw/zinc/04/43/54/372044354.db2.gz GGSZIJJRTWRPRP-UHFFFAOYSA-N 1 1 282.362 3.289 20 30 CGEDMO Cn1cc(C[N@@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)cc1C#N ZINC000291287233 372153417 /nfs/dbraw/zinc/15/34/17/372153417.db2.gz PGLVZZDTOBVLLZ-KGLIPLIRSA-N 1 1 299.340 3.450 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000426569639 372164704 /nfs/dbraw/zinc/16/47/04/372164704.db2.gz BZVHQBIZEOUYEK-CQSZACIVSA-N 1 1 260.337 3.444 20 30 CGEDMO C=C[C@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000428050788 372179034 /nfs/dbraw/zinc/17/90/34/372179034.db2.gz TXTIDBXUMNZZDM-YJBOKZPZSA-N 1 1 298.430 3.000 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@](CC)(CO)C2)cc1 ZINC000428489631 372222844 /nfs/dbraw/zinc/22/28/44/372222844.db2.gz WJISVXOXQCTOLK-GOSISDBHSA-N 1 1 289.419 3.236 20 30 CGEDMO COC[C@@H]1CCCC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000344320732 217148743 /nfs/dbraw/zinc/14/87/43/217148743.db2.gz HGGSIGNCKXXRJN-GOEBONIOSA-N 1 1 272.392 3.368 20 30 CGEDMO Cc1ccc(OCCC[N@@H+](C)[C@H](C)CC#N)cc1C ZINC000161923673 372360926 /nfs/dbraw/zinc/36/09/26/372360926.db2.gz KUPMFKBFEONPBG-OAHLLOKOSA-N 1 1 260.381 3.306 20 30 CGEDMO Cc1ccc(OCCC[N@H+](C)[C@H](C)CC#N)cc1C ZINC000161923673 372360930 /nfs/dbraw/zinc/36/09/30/372360930.db2.gz KUPMFKBFEONPBG-OAHLLOKOSA-N 1 1 260.381 3.306 20 30 CGEDMO CCS[C@@H]1CCCC[N@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000429677246 372375398 /nfs/dbraw/zinc/37/53/98/372375398.db2.gz AOAIWGKJQLWHEZ-HZSPNIEDSA-N 1 1 252.427 3.286 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@@H]1c1cccc(OC)c1 ZINC000293432762 372381779 /nfs/dbraw/zinc/38/17/79/372381779.db2.gz JLLKFFLUBSJFRQ-MRXNPFEDSA-N 1 1 261.365 3.035 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000430277196 372387662 /nfs/dbraw/zinc/38/76/62/372387662.db2.gz LVRJEBQALSCNJR-LUKYLMHMSA-N 1 1 281.440 3.390 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC(C)=C[C@H](C)C2)c1C ZINC000430268190 372387690 /nfs/dbraw/zinc/38/76/90/372387690.db2.gz LXRMXISGUZDTCH-ZDUSSCGKSA-N 1 1 286.419 3.372 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CC(C)=C[C@H](C)C2)c1C ZINC000430268190 372387694 /nfs/dbraw/zinc/38/76/94/372387694.db2.gz LXRMXISGUZDTCH-ZDUSSCGKSA-N 1 1 286.419 3.372 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@@H]1c1ccc(OC)cc1 ZINC000293645181 372435116 /nfs/dbraw/zinc/43/51/16/372435116.db2.gz XRUKAFZBVHYDED-MRXNPFEDSA-N 1 1 261.365 3.035 20 30 CGEDMO C=CCN(CC[C@@H]1CCC[N@@H+]1C)Cc1cccs1 ZINC000163406957 372467622 /nfs/dbraw/zinc/46/76/22/372467622.db2.gz GZAHSMIYMOUZEK-AWEZNQCLSA-N 1 1 264.438 3.220 20 30 CGEDMO C#CC[N@H+](CCc1c(C)noc1C)[C@@H]1CCc2ccccc21 ZINC000164945044 372538645 /nfs/dbraw/zinc/53/86/45/372538645.db2.gz RARVLRSDPDVOEG-LJQANCHMSA-N 1 1 294.398 3.457 20 30 CGEDMO C=CC[N@@H+](CCC1CCOCC1)Cc1ccccc1 ZINC000432944168 372576521 /nfs/dbraw/zinc/57/65/21/372576521.db2.gz QHVMWOIHJAWXEH-UHFFFAOYSA-N 1 1 259.393 3.491 20 30 CGEDMO CC(C)n1ncnc1C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433016543 372577975 /nfs/dbraw/zinc/57/79/75/372577975.db2.gz RRFCYJYUHPGJPE-INIZCTEOSA-N 1 1 297.406 3.384 20 30 CGEDMO N#CC1(C[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000433300606 372586292 /nfs/dbraw/zinc/58/62/92/372586292.db2.gz DOAKDJNQYYDAHV-CYBMUJFWSA-N 1 1 260.768 3.433 20 30 CGEDMO N#CC1(C[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000433300606 372586299 /nfs/dbraw/zinc/58/62/99/372586299.db2.gz DOAKDJNQYYDAHV-CYBMUJFWSA-N 1 1 260.768 3.433 20 30 CGEDMO C[N@H+](CCOc1ccc(F)cc1Cl)CC(C)(C)C#N ZINC000433307800 372587817 /nfs/dbraw/zinc/58/78/17/372587817.db2.gz VYSLMSFWUNJZNI-UHFFFAOYSA-N 1 1 284.762 3.339 20 30 CGEDMO C[N@@H+](CCOc1ccc(F)cc1Cl)CC(C)(C)C#N ZINC000433307800 372587822 /nfs/dbraw/zinc/58/78/22/372587822.db2.gz VYSLMSFWUNJZNI-UHFFFAOYSA-N 1 1 284.762 3.339 20 30 CGEDMO Cc1ccncc1C[N@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000353378426 220051887 /nfs/dbraw/zinc/05/18/87/220051887.db2.gz GOYGCOFDIDKXAQ-CQSZACIVSA-N 1 1 265.360 3.455 20 30 CGEDMO CCC[N@@H+](CC)C[C@H](C)N[C@H]1CCc2ccc(C#N)cc21 ZINC000353487007 220112225 /nfs/dbraw/zinc/11/22/25/220112225.db2.gz ZGXTZBJSDQMULO-KSSFIOAISA-N 1 1 285.435 3.256 20 30 CGEDMO CCCN(CC)C[C@H](C)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353487007 220112229 /nfs/dbraw/zinc/11/22/29/220112229.db2.gz ZGXTZBJSDQMULO-KSSFIOAISA-N 1 1 285.435 3.256 20 30 CGEDMO Clc1cccc(C#CC[N@H+]2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000438517189 372968065 /nfs/dbraw/zinc/96/80/65/372968065.db2.gz XZTGLXUYTSERPE-WBVHZDCISA-N 1 1 289.806 3.192 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CC[C@@H]2Cc2ccccc2)cc1 ZINC000438465247 372957025 /nfs/dbraw/zinc/95/70/25/372957025.db2.gz APNFNQWHWFQYBB-LJQANCHMSA-N 1 1 279.358 3.494 20 30 CGEDMO CC(C)(C)C[N@H+](CC#Cc1ccccc1Cl)CCCO ZINC000441150056 372997000 /nfs/dbraw/zinc/99/70/00/372997000.db2.gz XQPCJKCRQJZOFI-UHFFFAOYSA-N 1 1 293.838 3.422 20 30 CGEDMO Clc1ccccc1C#CC[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000441159140 372997709 /nfs/dbraw/zinc/99/77/09/372997709.db2.gz TXKKBFLNOUXRRY-NVXWUHKLSA-N 1 1 289.806 3.192 20 30 CGEDMO CCCC[N@H+](CC#Cc1ccccc1Cl)CCOC ZINC000441149473 372998926 /nfs/dbraw/zinc/99/89/26/372998926.db2.gz QDYIEURVBXFKDO-UHFFFAOYSA-N 1 1 279.811 3.440 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@H+](C)CCC2CC2)c1C ZINC000441267931 373001252 /nfs/dbraw/zinc/00/12/52/373001252.db2.gz KEMFFCNPCQRGCO-UHFFFAOYSA-N 1 1 274.408 3.206 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+](C)CCC2CC2)c1C ZINC000441267931 373001260 /nfs/dbraw/zinc/00/12/60/373001260.db2.gz KEMFFCNPCQRGCO-UHFFFAOYSA-N 1 1 274.408 3.206 20 30 CGEDMO CO[C@@H]1CC[N@H+]([C@@H](C)c2cccc(C#N)c2)CC1(C)C ZINC000296165624 373040173 /nfs/dbraw/zinc/04/01/73/373040173.db2.gz UQYCXHSNLNVOIB-XJKSGUPXSA-N 1 1 272.392 3.366 20 30 CGEDMO N#C[C@@H]1CC[C@@H](N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000442657871 373061728 /nfs/dbraw/zinc/06/17/28/373061728.db2.gz WBARFZYCHDBRJU-KBAYOESNSA-N 1 1 283.419 3.105 20 30 CGEDMO C[C@@H]1C[C@H](C)CN(C(C)(C)C[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000442722667 373069270 /nfs/dbraw/zinc/06/92/70/373069270.db2.gz XXYBOFCHALXAKO-XUWVNRHRSA-N 1 1 277.456 3.025 20 30 CGEDMO COc1cc(C[N@@H+](C)C2Cc3ccccc3C2)ccc1C#N ZINC000442808440 373093484 /nfs/dbraw/zinc/09/34/84/373093484.db2.gz HODUBGUGPMKRLC-UHFFFAOYSA-N 1 1 292.382 3.166 20 30 CGEDMO CC(C)[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)N1CCCCCC1 ZINC000442722686 373070518 /nfs/dbraw/zinc/07/05/18/373070518.db2.gz VXYIVJUHERKWER-IKGGRYGDSA-N 1 1 277.456 3.169 20 30 CGEDMO COc1cc(C[N@H+]2CC[C@H]2Cc2ccccc2)ccc1C#N ZINC000442883936 373119691 /nfs/dbraw/zinc/11/96/91/373119691.db2.gz IMEIOSQHFBVIGJ-SFHVURJKSA-N 1 1 292.382 3.384 20 30 CGEDMO COc1cc(C[N@H+]2CCCC[C@H](SC)C2)ccc1C#N ZINC000442890240 373123456 /nfs/dbraw/zinc/12/34/56/373123456.db2.gz NZRXMZBWKJEJIV-HNNXBMFYSA-N 1 1 290.432 3.284 20 30 CGEDMO C[N@H+]1CCN(Cc2cccc(C#N)c2)c2ccccc2C1 ZINC000353588075 220173755 /nfs/dbraw/zinc/17/37/55/220173755.db2.gz LELAKUVAGLCQKV-UHFFFAOYSA-N 1 1 277.371 3.010 20 30 CGEDMO C[N@@H+](CCCCC(C)(C)C#N)CC[C@H]1CCCO1 ZINC000444689972 373237015 /nfs/dbraw/zinc/23/70/15/373237015.db2.gz QEHBVDICEQUNDE-CQSZACIVSA-N 1 1 252.402 3.207 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444695521 373239610 /nfs/dbraw/zinc/23/96/10/373239610.db2.gz FKFDMTJOGKBLBT-SNVBAGLBSA-N 1 1 286.272 3.472 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444695521 373239618 /nfs/dbraw/zinc/23/96/18/373239618.db2.gz FKFDMTJOGKBLBT-SNVBAGLBSA-N 1 1 286.272 3.472 20 30 CGEDMO CC[C@@H](N[C@@H](C)C[N@H+](C)C(C)C)c1ccc(C#N)cc1 ZINC000353580179 220168979 /nfs/dbraw/zinc/16/89/79/220168979.db2.gz WIDSZNSOPTXDEX-WMLDXEAASA-N 1 1 273.424 3.328 20 30 CGEDMO CC[C@@H](N[C@@H](C)C[N@@H+](C)C(C)C)c1ccc(C#N)cc1 ZINC000353580179 220168982 /nfs/dbraw/zinc/16/89/82/220168982.db2.gz WIDSZNSOPTXDEX-WMLDXEAASA-N 1 1 273.424 3.328 20 30 CGEDMO C#CC[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)c1ccccc1 ZINC000297002750 373254148 /nfs/dbraw/zinc/25/41/48/373254148.db2.gz SVWVXOJAWAULLH-VNQPRFMTSA-N 1 1 265.360 3.243 20 30 CGEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@H](CO)C2)cc1 ZINC000174702366 373357182 /nfs/dbraw/zinc/35/71/82/373357182.db2.gz HXRFGZBKVAWZOI-INIZCTEOSA-N 1 1 292.382 3.039 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2c[nH]c(C(=O)OC)c2)CCCC1(C)C ZINC000446830628 373367377 /nfs/dbraw/zinc/36/73/77/373367377.db2.gz VAJWBEYZQNHFIM-HNNXBMFYSA-N 1 1 290.407 3.368 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000175404286 373463275 /nfs/dbraw/zinc/46/32/75/373463275.db2.gz RRJFWVFZCDBFMF-ACJLOTCBSA-N 1 1 265.422 3.383 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H](C)C1CCCCC1 ZINC000447393044 373433745 /nfs/dbraw/zinc/43/37/45/373433745.db2.gz NNNZXAXUEOMIEU-HNNXBMFYSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175834439 373527809 /nfs/dbraw/zinc/52/78/09/373527809.db2.gz IWCLSPYLJFLBDO-OLZOCXBDSA-N 1 1 251.395 3.212 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCCCC1 ZINC000448763786 373639849 /nfs/dbraw/zinc/63/98/49/373639849.db2.gz PHEALKBVGZQABD-OAHLLOKOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000449077455 373658508 /nfs/dbraw/zinc/65/85/08/373658508.db2.gz RUNJYQKFRSLKAR-CABCVRRESA-N 1 1 250.430 3.195 20 30 CGEDMO C=CCC1(C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)CCCCC1 ZINC000448963848 373651083 /nfs/dbraw/zinc/65/10/83/373651083.db2.gz TVIDSSLRNRLBHD-INIZCTEOSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCCCC[C@H](C)[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000449077458 373659308 /nfs/dbraw/zinc/65/93/08/373659308.db2.gz RUNJYQKFRSLKAR-LSDHHAIUSA-N 1 1 250.430 3.195 20 30 CGEDMO C=CCc1cc(C[N@@H+]2CCC[C@@](C)(F)C2)cc(OC)c1O ZINC000449353272 373683697 /nfs/dbraw/zinc/68/36/97/373683697.db2.gz ZNCIMHZGFXRVNL-QGZVFWFLSA-N 1 1 293.382 3.453 20 30 CGEDMO C=CCc1cc(C[N@H+]2CCC[C@@](C)(F)C2)cc(OC)c1O ZINC000449353272 373683704 /nfs/dbraw/zinc/68/37/04/373683704.db2.gz ZNCIMHZGFXRVNL-QGZVFWFLSA-N 1 1 293.382 3.453 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)[C@@H](CC)CO)cc1Cl ZINC000449379156 373684939 /nfs/dbraw/zinc/68/49/39/373684939.db2.gz ZRRAFMCVFAPHCY-ZDUSSCGKSA-N 1 1 283.799 3.108 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)Nc1ccc(CC)cc1 ZINC000301492197 373778512 /nfs/dbraw/zinc/77/85/12/373778512.db2.gz DKWIAJBTHWVALB-CQSZACIVSA-N 1 1 274.408 3.474 20 30 CGEDMO CC[N@H+]1CCCN(c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000301538406 373785522 /nfs/dbraw/zinc/78/55/22/373785522.db2.gz RKOUBKGCKKSXMD-UHFFFAOYSA-N 1 1 297.324 3.109 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@H](OC)[C@@H](C)C2)c1 ZINC000449497016 373791232 /nfs/dbraw/zinc/79/12/32/373791232.db2.gz JTRHHSZHCQAONK-YOEHRIQHSA-N 1 1 275.392 3.108 20 30 CGEDMO CCCn1cc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cn1 ZINC000180029685 373954855 /nfs/dbraw/zinc/95/48/55/373954855.db2.gz FLVZBTHRTKCKJZ-UHFFFAOYSA-N 1 1 294.402 3.329 20 30 CGEDMO CCCn1cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cn1 ZINC000180029685 373954860 /nfs/dbraw/zinc/95/48/60/373954860.db2.gz FLVZBTHRTKCKJZ-UHFFFAOYSA-N 1 1 294.402 3.329 20 30 CGEDMO CC#CC[NH2+][C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180560737 374022310 /nfs/dbraw/zinc/02/23/10/374022310.db2.gz IZLKQMDXZPFASM-LBPRGKRZSA-N 1 1 259.246 3.432 20 30 CGEDMO N#Cc1cccc(C[N@H+](CCO)[C@H]2CCc3ccccc32)c1 ZINC000304119382 374039190 /nfs/dbraw/zinc/03/91/90/374039190.db2.gz PWOVIIQZMCLCCV-IBGZPJMESA-N 1 1 292.382 3.040 20 30 CGEDMO C[C@H](NCC[N@@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1 ZINC000181507067 374132583 /nfs/dbraw/zinc/13/25/83/374132583.db2.gz XCPAZIYCUMANEK-CABCVRRESA-N 1 1 271.408 3.083 20 30 CGEDMO C[C@H](NCC[N@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1 ZINC000181507067 374132590 /nfs/dbraw/zinc/13/25/90/374132590.db2.gz XCPAZIYCUMANEK-CABCVRRESA-N 1 1 271.408 3.083 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](CC(C)C)C1 ZINC000307784163 374152226 /nfs/dbraw/zinc/15/22/26/374152226.db2.gz XUSOYFNVNCIDCC-HNNXBMFYSA-N 1 1 272.392 3.435 20 30 CGEDMO CC[C@H]([NH2+]CC1(C#N)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000450682718 374171191 /nfs/dbraw/zinc/17/11/91/374171191.db2.gz ONQYCYXPVTUIAD-AWEZNQCLSA-N 1 1 273.336 3.329 20 30 CGEDMO Cc1cccc2nc(C[NH2+][C@@H](C)c3cccc(C#N)c3)cn21 ZINC000181988280 374201013 /nfs/dbraw/zinc/20/10/13/374201013.db2.gz ZFCGUKLQLXFUFK-AWEZNQCLSA-N 1 1 290.370 3.365 20 30 CGEDMO COC[C@H]1CCC[N@H+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000452074920 374226718 /nfs/dbraw/zinc/22/67/18/374226718.db2.gz CQPKMIWPKHEASL-ZBFHGGJFSA-N 1 1 272.392 3.368 20 30 CGEDMO CC(C)(C)[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000317697652 374339583 /nfs/dbraw/zinc/33/95/83/374339583.db2.gz CSWBWLLIUHWJJV-OAHLLOKOSA-N 1 1 299.418 3.255 20 30 CGEDMO O=C(N[C@@H]1CCCCC[C@H]1O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000329324476 374404657 /nfs/dbraw/zinc/40/46/57/374404657.db2.gz IDMAAKGHWDQPRJ-BZUAXINKSA-N 1 1 294.439 3.044 20 30 CGEDMO Cc1ccc(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)c(=O)[nH]1 ZINC000329675444 374420607 /nfs/dbraw/zinc/42/06/07/374420607.db2.gz PAULAZZAHMQVHY-CQSZACIVSA-N 1 1 289.379 3.091 20 30 CGEDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000332105418 374553307 /nfs/dbraw/zinc/55/33/07/374553307.db2.gz HQELWPCVDDHPBB-WFASDCNBSA-N 1 1 296.374 3.371 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+](C)CC(=O)Nc1cc(C)ccn1 ZINC000091556224 541968568 /nfs/dbraw/zinc/96/85/68/541968568.db2.gz INONRVATDNHEHH-AWEZNQCLSA-N 1 1 275.396 3.005 20 30 CGEDMO C[C@H]1Oc2cc(F)ccc2[C@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000334150406 374651046 /nfs/dbraw/zinc/65/10/46/374651046.db2.gz IZZGPRYDOOPFCH-PSLIRLAXSA-N 1 1 288.347 3.371 20 30 CGEDMO CC#CCCCC(=O)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000185406229 374657585 /nfs/dbraw/zinc/65/75/85/374657585.db2.gz SHWRWCXHSDLDOW-KRWDZBQOSA-N 1 1 296.414 3.191 20 30 CGEDMO N#C[C@H]1CCC[C@H](Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000185736222 374726404 /nfs/dbraw/zinc/72/64/04/374726404.db2.gz NRTQWUNAZHILDC-WMZOPIPTSA-N 1 1 299.418 3.013 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000470790957 375000771 /nfs/dbraw/zinc/00/07/71/375000771.db2.gz ZTTXKSXFGMVCEY-MRXNPFEDSA-N 1 1 277.383 3.283 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](CC1CCCCC1)C1CC1 ZINC000472766247 375033262 /nfs/dbraw/zinc/03/32/62/375033262.db2.gz DVAZOPSPQFJWSA-INIZCTEOSA-N 1 1 251.414 3.358 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000187717736 375079151 /nfs/dbraw/zinc/07/91/51/375079151.db2.gz GJPGDQUTECYDPD-COXVUDFISA-N 1 1 272.392 3.102 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000473608062 375056315 /nfs/dbraw/zinc/05/63/15/375056315.db2.gz CXYMFXGZDWGLDO-KRWDZBQOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000473693070 375058923 /nfs/dbraw/zinc/05/89/23/375058923.db2.gz JDNBXCXAFKYTMZ-QSJFSLAZSA-N 1 1 280.456 3.071 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c1 ZINC000335232043 375248515 /nfs/dbraw/zinc/24/85/15/375248515.db2.gz GCCCTSHOYXRPJD-SFHVURJKSA-N 1 1 296.414 3.339 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)s1 ZINC000335420689 375278690 /nfs/dbraw/zinc/27/86/90/375278690.db2.gz DBKCOVSOMJPEKC-IUODEOHRSA-N 1 1 276.405 3.011 20 30 CGEDMO Cc1cc(C[N@H+](C)[C@@H](CO)c2ccccc2)ccc1C#N ZINC000487909423 375283447 /nfs/dbraw/zinc/28/34/47/375283447.db2.gz GFMQCOZMYZMOLA-SFHVURJKSA-N 1 1 280.371 3.032 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000487916129 375285120 /nfs/dbraw/zinc/28/51/20/375285120.db2.gz PZQGPWKYPJCEOY-RYUDHWBXSA-N 1 1 265.319 3.120 20 30 CGEDMO Cc1cc(C[N@@H+]2CCN(C)c3ccccc3C2)ccc1C#N ZINC000487927952 375285761 /nfs/dbraw/zinc/28/57/61/375285761.db2.gz HKNYRDRXODXORK-UHFFFAOYSA-N 1 1 291.398 3.319 20 30 CGEDMO C#C[C@@H](CC)NC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000491372946 375328156 /nfs/dbraw/zinc/32/81/56/375328156.db2.gz LGJIOCOXRDKNDI-AEFFLSMTSA-N 1 1 284.447 3.083 20 30 CGEDMO C#C[C@@H](CC)[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1 ZINC000491372946 375328152 /nfs/dbraw/zinc/32/81/52/375328152.db2.gz LGJIOCOXRDKNDI-AEFFLSMTSA-N 1 1 284.447 3.083 20 30 CGEDMO C[N@@H+](Cc1ccc(F)c(F)c1)[C@H]1CC[C@@H](C#N)C1 ZINC000335331981 375262719 /nfs/dbraw/zinc/26/27/19/375262719.db2.gz NVHAHRFNRKPLIZ-PWSUYJOCSA-N 1 1 250.292 3.089 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496371238 375531729 /nfs/dbraw/zinc/53/17/29/375531729.db2.gz YCPAZOUXRVEMGK-CABCVRRESA-N 1 1 294.439 3.284 20 30 CGEDMO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@H+]1CCCC#N ZINC000496530922 375541232 /nfs/dbraw/zinc/54/12/32/375541232.db2.gz DYUYTDDFPJABMN-CQSZACIVSA-N 1 1 295.427 3.059 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000495749388 375501355 /nfs/dbraw/zinc/50/13/55/375501355.db2.gz XCDDOIDESXRFRG-KBPBESRZSA-N 1 1 282.428 3.188 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@H]2CCc2ccccc2)cc1C#N ZINC000191230281 375598475 /nfs/dbraw/zinc/59/84/75/375598475.db2.gz GZRYRARZEIMNQX-SFHVURJKSA-N 1 1 293.414 3.494 20 30 CGEDMO C[C@@H]1C[C@@]1([NH2+]CC1(C#N)CC1)c1ccc(Cl)cc1 ZINC000503378232 375649566 /nfs/dbraw/zinc/64/95/66/375649566.db2.gz SAUVAUBQCMLBEE-ABAIWWIYSA-N 1 1 260.768 3.468 20 30 CGEDMO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccccc1C#N ZINC000191480192 375633457 /nfs/dbraw/zinc/63/34/57/375633457.db2.gz JCCKEGTUNCUZOC-IBGZPJMESA-N 1 1 294.398 3.248 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cnc2ccc(Cl)cn12 ZINC000505881338 375663753 /nfs/dbraw/zinc/66/37/53/375663753.db2.gz JTQJBMRISIJASN-UHFFFAOYSA-N 1 1 263.772 3.386 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)c(F)c1 ZINC000191889852 375672776 /nfs/dbraw/zinc/67/27/76/375672776.db2.gz YSOORQULPQDONT-UHFFFAOYSA-N 1 1 279.318 3.201 20 30 CGEDMO C[C@H](c1ccco1)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000191968926 375686668 /nfs/dbraw/zinc/68/66/68/375686668.db2.gz AEZCHSCFCQAORA-LLVKDONJSA-N 1 1 258.296 3.483 20 30 CGEDMO C[C@H](c1ccco1)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000191968926 375686675 /nfs/dbraw/zinc/68/66/75/375686675.db2.gz AEZCHSCFCQAORA-LLVKDONJSA-N 1 1 258.296 3.483 20 30 CGEDMO Cn1cccc1[C@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC000192080193 375696322 /nfs/dbraw/zinc/69/63/22/375696322.db2.gz PDGABTDDTWYUFM-GOSISDBHSA-N 1 1 264.372 3.214 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)c(F)c1)C[C@H]1CCCCO1 ZINC000192101840 375698269 /nfs/dbraw/zinc/69/82/69/375698269.db2.gz QRQUKMGMWSBHOE-MRXNPFEDSA-N 1 1 290.382 3.478 20 30 CGEDMO CC[C@H](CSC)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192145747 375703189 /nfs/dbraw/zinc/70/31/89/375703189.db2.gz CLDHSXXOEAVBGL-CYBMUJFWSA-N 1 1 266.385 3.271 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000508708667 375759543 /nfs/dbraw/zinc/75/95/43/375759543.db2.gz CUMCKLILVYHLGY-CABCVRRESA-N 1 1 286.419 3.251 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@@H]1Cc1ccccc1C ZINC000514743855 375805288 /nfs/dbraw/zinc/80/52/88/375805288.db2.gz NVAAKCRRKDDIQL-QGZVFWFLSA-N 1 1 259.393 3.205 20 30 CGEDMO C=CCOCC[N@@H+]1CC[C@@](C)(c2ccc(C)cc2)C1 ZINC000514827214 375806358 /nfs/dbraw/zinc/80/63/58/375806358.db2.gz OAYAUUBGSAXUDT-QGZVFWFLSA-N 1 1 259.393 3.161 20 30 CGEDMO N#Cc1ccc(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000192960179 375808854 /nfs/dbraw/zinc/80/88/54/375808854.db2.gz OFYUGAGLISJMQW-SFHVURJKSA-N 1 1 291.398 3.492 20 30 CGEDMO C=CCCC[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000510724526 375787634 /nfs/dbraw/zinc/78/76/34/375787634.db2.gz YDPGRKTXMHLMQX-KRWDZBQOSA-N 1 1 257.377 3.127 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](c2nc(C)no2)C1 ZINC000193316388 375859412 /nfs/dbraw/zinc/85/94/12/375859412.db2.gz AZPVELBZPGULRR-AWEZNQCLSA-N 1 1 263.385 3.304 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000516655072 375822071 /nfs/dbraw/zinc/82/20/71/375822071.db2.gz XGAMQWYVAGHWME-AWEZNQCLSA-N 1 1 271.320 3.007 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000516655072 375822076 /nfs/dbraw/zinc/82/20/76/375822076.db2.gz XGAMQWYVAGHWME-AWEZNQCLSA-N 1 1 271.320 3.007 20 30 CGEDMO C=CC[N@H+](CCC(C)(C)C(=O)OC)Cc1ccccc1 ZINC000525977477 375888661 /nfs/dbraw/zinc/88/86/61/375888661.db2.gz GUVCYVKGVPJHFU-UHFFFAOYSA-N 1 1 275.392 3.264 20 30 CGEDMO C=CC[N@H+]1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000532718184 375952570 /nfs/dbraw/zinc/95/25/70/375952570.db2.gz XJJUBQQIMXJIPK-OAHLLOKOSA-N 1 1 255.365 3.286 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000532718184 375952579 /nfs/dbraw/zinc/95/25/79/375952579.db2.gz XJJUBQQIMXJIPK-OAHLLOKOSA-N 1 1 255.365 3.286 20 30 CGEDMO C=CCCC[N@@H+](CC(=O)OC(C)(C)C)[C@H](C)CC ZINC000533954681 375956902 /nfs/dbraw/zinc/95/69/02/375956902.db2.gz SOAJNVZCVZGQOD-CYBMUJFWSA-N 1 1 255.402 3.395 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000532124331 375949403 /nfs/dbraw/zinc/94/94/03/375949403.db2.gz ZNMTXJYOQZFBER-CAOSSQGBSA-N 1 1 251.414 3.214 20 30 CGEDMO N#Cc1ccc2ncc(C[N@@H+](C3CC3)C3CCCC3)n2c1 ZINC000535069184 376018313 /nfs/dbraw/zinc/01/83/13/376018313.db2.gz AYQNBMQKGMRDHI-UHFFFAOYSA-N 1 1 280.375 3.113 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)o1)Cc1ccc(C)cc1 ZINC000535072366 376022120 /nfs/dbraw/zinc/02/21/20/376022120.db2.gz NZLSVBZBGSQZKL-UHFFFAOYSA-N 1 1 254.333 3.482 20 30 CGEDMO C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337182063 376120406 /nfs/dbraw/zinc/12/04/06/376120406.db2.gz BEGSBDPZUVROMW-BZUAXINKSA-N 1 1 278.440 3.453 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc3ccccc3c2)C1=O ZINC000337130431 376089116 /nfs/dbraw/zinc/08/91/16/376089116.db2.gz JTDCHHSMGAJLQL-SFHVURJKSA-N 1 1 294.398 3.059 20 30 CGEDMO C=CCN1CC[C@H]([N@H+](Cc2ccccc2)[C@@H](C)C2CC2)C1=O ZINC000337136182 376092501 /nfs/dbraw/zinc/09/25/01/376092501.db2.gz MWUNFURTWVIZGO-YJBOKZPZSA-N 1 1 298.430 3.074 20 30 CGEDMO C=CCN1CC[C@H]([N@H+](Cc2ccccc2)[C@@H](C)CC)C1=O ZINC000337135429 376092630 /nfs/dbraw/zinc/09/26/30/376092630.db2.gz NSDNMNAJXVVIHT-RDJZCZTQSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CCN1CC[C@@H]([N@H+]2CCCCC[C@H]2c2ccccc2)C1=O ZINC000337147978 376102532 /nfs/dbraw/zinc/10/25/32/376102532.db2.gz ZSWKWFWIVWEINQ-ZWKOTPCHSA-N 1 1 298.430 3.391 20 30 CGEDMO CCCOc1ccc(C[N@H+](CC)C[C@@H](C)C#N)cc1 ZINC000536641229 376107541 /nfs/dbraw/zinc/10/75/41/376107541.db2.gz URJZKNKKALXQJI-AWEZNQCLSA-N 1 1 260.381 3.457 20 30 CGEDMO CCCOc1ccc(C[N@@H+](CC)C[C@@H](C)C#N)cc1 ZINC000536641229 376107546 /nfs/dbraw/zinc/10/75/46/376107546.db2.gz URJZKNKKALXQJI-AWEZNQCLSA-N 1 1 260.381 3.457 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccn2)s1 ZINC000535780568 376058326 /nfs/dbraw/zinc/05/83/26/376058326.db2.gz USOADOCXPWJJMA-OAHLLOKOSA-N 1 1 269.373 3.352 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccccn2)s1 ZINC000535780568 376058329 /nfs/dbraw/zinc/05/83/29/376058329.db2.gz USOADOCXPWJJMA-OAHLLOKOSA-N 1 1 269.373 3.352 20 30 CGEDMO C=CCCCCC[N@@H+](C)Cc1ncnn1-c1ccccc1 ZINC000337180952 376119625 /nfs/dbraw/zinc/11/96/25/376119625.db2.gz MKKXPCZFMRVNTA-UHFFFAOYSA-N 1 1 284.407 3.446 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1ncnn1-c1ccccc1 ZINC000337180952 376119631 /nfs/dbraw/zinc/11/96/31/376119631.db2.gz MKKXPCZFMRVNTA-UHFFFAOYSA-N 1 1 284.407 3.446 20 30 CGEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](C)C3(CCCCC3)C2)C1=O ZINC000337216059 376143756 /nfs/dbraw/zinc/14/37/56/376143756.db2.gz YXKXEZOBHPJQBM-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO Cc1cc(C)c(C#N)c(NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)n1 ZINC000221736064 376219755 /nfs/dbraw/zinc/21/97/55/376219755.db2.gz SODNIZFTNKIYFR-DOMZBBRYSA-N 1 1 286.423 3.102 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2C[C@@H](CC)[C@H](O)C2)cc1Cl ZINC000538794304 376273432 /nfs/dbraw/zinc/27/34/32/376273432.db2.gz SXJAUBRHUMGWLF-UKRRQHHQSA-N 1 1 295.810 3.108 20 30 CGEDMO C=CC[C@H](CC)NC(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000539703344 376327108 /nfs/dbraw/zinc/32/71/08/376327108.db2.gz NRZGFDPYMZLZES-FZKCQIBNSA-N 1 1 295.471 3.007 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000338562459 376427434 /nfs/dbraw/zinc/42/74/34/376427434.db2.gz CKWFLTBPWGKUSX-CVEARBPZSA-N 1 1 258.409 3.157 20 30 CGEDMO C=CCCN1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000338562459 376427440 /nfs/dbraw/zinc/42/74/40/376427440.db2.gz CKWFLTBPWGKUSX-CVEARBPZSA-N 1 1 258.409 3.157 20 30 CGEDMO C=CCCN1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000338562459 376427443 /nfs/dbraw/zinc/42/74/43/376427443.db2.gz CKWFLTBPWGKUSX-CVEARBPZSA-N 1 1 258.409 3.157 20 30 CGEDMO N#CCC1CC[NH+](Cc2nccn2Cc2ccccc2)CC1 ZINC000540995485 376412407 /nfs/dbraw/zinc/41/24/07/376412407.db2.gz TWNNHYQYEAEMHB-UHFFFAOYSA-N 1 1 294.402 3.057 20 30 CGEDMO C=CCCC[C@@H](C)[N@@H+]1CCN(CC(F)F)[C@@H](CC)C1 ZINC000540344421 376371533 /nfs/dbraw/zinc/37/15/33/376371533.db2.gz BIGJRSOKJYSWLY-KGLIPLIRSA-N 1 1 274.399 3.393 20 30 CGEDMO COc1ccc(C[N@H+]2CCSC(C)(C)CC2)cc1C#N ZINC000228087498 376426496 /nfs/dbraw/zinc/42/64/96/376426496.db2.gz ALSOYAUURXZVFH-UHFFFAOYSA-N 1 1 290.432 3.284 20 30 CGEDMO Cc1[nH+]c2cc(Nc3nccc(C)c3C#N)ccc2n1C ZINC000542207843 376518662 /nfs/dbraw/zinc/51/86/62/376518662.db2.gz CLOFEYCXBXTPLL-UHFFFAOYSA-N 1 1 277.331 3.200 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCCC3(CCOCC3)C2)c1F ZINC000334296901 206327997 /nfs/dbraw/zinc/32/79/97/206327997.db2.gz CNVYXNJGCZCSPH-UHFFFAOYSA-N 1 1 288.366 3.090 20 30 CGEDMO C=C(C)C[N@@H+](CC)C[C@H](O)COc1cc(C)ccc1Cl ZINC000543449623 376643417 /nfs/dbraw/zinc/64/34/17/376643417.db2.gz OMNHDAZLHKQTSU-AWEZNQCLSA-N 1 1 297.826 3.286 20 30 CGEDMO CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)CCOCCC#N ZINC000339135526 376702240 /nfs/dbraw/zinc/70/22/40/376702240.db2.gz DCRCIQIYFIGXNA-MRXNPFEDSA-N 1 1 278.371 3.385 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1Cn1c(C)nc2ccccc21 ZINC000339659961 376790904 /nfs/dbraw/zinc/79/09/04/376790904.db2.gz FDIWZDMGLXACJO-HNNXBMFYSA-N 1 1 269.392 3.385 20 30 CGEDMO CC#CC[N@H+](C)Cc1c(Cl)ccc2cccnc21 ZINC000339762295 376837083 /nfs/dbraw/zinc/83/70/83/376837083.db2.gz ZDKLLSOKWDEGBA-UHFFFAOYSA-N 1 1 258.752 3.343 20 30 CGEDMO CC#CC[N@@H+](C)Cc1c(Cl)ccc2cccnc21 ZINC000339762295 376837091 /nfs/dbraw/zinc/83/70/91/376837091.db2.gz ZDKLLSOKWDEGBA-UHFFFAOYSA-N 1 1 258.752 3.343 20 30 CGEDMO CCNC(=O)C[C@H]1CCCC[N@H+]1CCCCC(C)(C)C#N ZINC000556517390 376863336 /nfs/dbraw/zinc/86/33/36/376863336.db2.gz BGPRESJIOYDBAO-OAHLLOKOSA-N 1 1 293.455 3.087 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CCCO1 ZINC000339827796 376864728 /nfs/dbraw/zinc/86/47/28/376864728.db2.gz OMKVCKVCJUXNJW-INIZCTEOSA-N 1 1 292.810 3.459 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@@H](C)C[C@H](C)C2)cc1C#N ZINC000340174286 376935317 /nfs/dbraw/zinc/93/53/17/376935317.db2.gz PVXVZKGTRQJMQL-KGLIPLIRSA-N 1 1 272.392 3.435 20 30 CGEDMO CC(C)[C@@H](C)[N@H+]1Cc2cccc(N[C@H](C)C#N)c2C1 ZINC000246236649 376995961 /nfs/dbraw/zinc/99/59/61/376995961.db2.gz VOZPHDKSBAHGPE-CHWSQXEVSA-N 1 1 257.381 3.371 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000246311367 377008766 /nfs/dbraw/zinc/00/87/66/377008766.db2.gz BVESDDUGBNVLOV-SUMWQHHRSA-N 1 1 282.343 3.286 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000246311367 377008769 /nfs/dbraw/zinc/00/87/69/377008769.db2.gz BVESDDUGBNVLOV-SUMWQHHRSA-N 1 1 282.343 3.286 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000246873109 377109793 /nfs/dbraw/zinc/10/97/93/377109793.db2.gz WLTOZHHFUQSYJY-UONOGXRCSA-N 1 1 295.810 3.120 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCCC[C@@H](SC)C1 ZINC000246577397 377055512 /nfs/dbraw/zinc/05/55/12/377055512.db2.gz LUSCONZUWQEQNB-HUUCEWRRSA-N 1 1 298.496 3.017 20 30 CGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000246841339 377102886 /nfs/dbraw/zinc/10/28/86/377102886.db2.gz VEKDRDMDUCWTGH-ILXRZTDVSA-N 1 1 299.418 3.253 20 30 CGEDMO CC[C@@]1(C)CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000247245826 377182261 /nfs/dbraw/zinc/18/22/61/377182261.db2.gz DRABIMRMOFAIKK-KDOFPFPSSA-N 1 1 299.418 3.397 20 30 CGEDMO CCC[N@H+](CCN1CCCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000340684501 377215722 /nfs/dbraw/zinc/21/57/22/377215722.db2.gz LHROEIUFSGIDME-INIZCTEOSA-N 1 1 285.435 3.427 20 30 CGEDMO CCC[N@@H+](CCN1CCCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000340684501 377215724 /nfs/dbraw/zinc/21/57/24/377215724.db2.gz LHROEIUFSGIDME-INIZCTEOSA-N 1 1 285.435 3.427 20 30 CGEDMO N#Cc1ccnc(NC[C@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000561318713 377219645 /nfs/dbraw/zinc/21/96/45/377219645.db2.gz SNZYJWFQPJVEMH-MRXNPFEDSA-N 1 1 284.407 3.162 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000248544586 377342941 /nfs/dbraw/zinc/34/29/41/377342941.db2.gz DQLRLDCOVINDOC-BBRMVZONSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000248544586 377342947 /nfs/dbraw/zinc/34/29/47/377342947.db2.gz DQLRLDCOVINDOC-BBRMVZONSA-N 1 1 290.794 3.213 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H]1C ZINC000563216488 377421898 /nfs/dbraw/zinc/42/18/98/377421898.db2.gz KTGCKTMNULURBO-NEPJUHHUSA-N 1 1 273.336 3.087 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)C[C@@H]1CCCC[C@@H]1O ZINC000566599358 377498196 /nfs/dbraw/zinc/49/81/96/377498196.db2.gz DSLJKPAPQWCIKO-ROUUACIJSA-N 1 1 273.420 3.268 20 30 CGEDMO C[C@@H]1C[C@@H](Nc2ccc(Cl)cc2C#N)CC[N@H+]1C ZINC000090795128 249029621 /nfs/dbraw/zinc/02/96/21/249029621.db2.gz KEHIQCZKEYXSTO-MFKMUULPSA-N 1 1 263.772 3.106 20 30 CGEDMO N#Cc1ccc(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)nc1 ZINC000265148244 190161588 /nfs/dbraw/zinc/16/15/88/190161588.db2.gz SBUPXRPZNLRQPD-KRWDZBQOSA-N 1 1 292.386 3.030 20 30 CGEDMO C=CC[C@@H]1[N@H+](Cc2nnnn2CCCC)CCCC1(C)C ZINC000569895865 377530758 /nfs/dbraw/zinc/53/07/58/377530758.db2.gz FWRKHRIYCPMZFU-AWEZNQCLSA-N 1 1 291.443 3.040 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2nnnn2CCCC)CCCC1(C)C ZINC000569895865 377530765 /nfs/dbraw/zinc/53/07/65/377530765.db2.gz FWRKHRIYCPMZFU-AWEZNQCLSA-N 1 1 291.443 3.040 20 30 CGEDMO COc1ccc(C[N@H+]2C[C@H](C)C[C@@H](C)[C@H]2C)cc1C#N ZINC000253100028 377676654 /nfs/dbraw/zinc/67/66/54/377676654.db2.gz PPQCRXBZWANKEN-MGPQQGTHSA-N 1 1 272.392 3.433 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000342729420 377760259 /nfs/dbraw/zinc/76/02/59/377760259.db2.gz FASMJGSOLMJGBQ-SNVBAGLBSA-N 1 1 284.762 3.314 20 30 CGEDMO C=CC[C@@H]1[N@H+](Cc2cnc(N)s2)CCCC1(C)C ZINC000262048342 377883005 /nfs/dbraw/zinc/88/30/05/377883005.db2.gz PYWRXPPSEUZKID-LBPRGKRZSA-N 1 1 265.426 3.292 20 30 CGEDMO CC(C)C[N@@H+](CCCn1ccnc1)Cc1ccc(C#N)cc1 ZINC000343317068 377952021 /nfs/dbraw/zinc/95/20/21/377952021.db2.gz BUCMHDNGZYIXHD-UHFFFAOYSA-N 1 1 296.418 3.303 20 30 CGEDMO COc1ccc2cc(C[N@H+](C)C[C@H](C)C#N)ccc2c1 ZINC000263842790 377952631 /nfs/dbraw/zinc/95/26/31/377952631.db2.gz LBZYKLLAXTZOGV-CYBMUJFWSA-N 1 1 268.360 3.440 20 30 CGEDMO COc1ccc2cc(C[N@@H+](C)C[C@H](C)C#N)ccc2c1 ZINC000263842790 377952636 /nfs/dbraw/zinc/95/26/36/377952636.db2.gz LBZYKLLAXTZOGV-CYBMUJFWSA-N 1 1 268.360 3.440 20 30 CGEDMO CCCCO[C@@H]1C[C@@H]([N@@H+](C)CC2(C#N)CC2)C1(C)C ZINC000343323306 377953237 /nfs/dbraw/zinc/95/32/37/377953237.db2.gz JFQVQDXGBKRZIE-ZIAGYGMSSA-N 1 1 264.413 3.206 20 30 CGEDMO C=CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000343526535 378008176 /nfs/dbraw/zinc/00/81/76/378008176.db2.gz PENYOHBYMBRXLH-WBVHZDCISA-N 1 1 286.419 3.122 20 30 CGEDMO C=CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000343526535 378008178 /nfs/dbraw/zinc/00/81/78/378008178.db2.gz PENYOHBYMBRXLH-WBVHZDCISA-N 1 1 286.419 3.122 20 30 CGEDMO N#Cc1ccccc1-c1ccc(C[N@H+](CCO)C2CC2)cc1 ZINC000264207993 377963809 /nfs/dbraw/zinc/96/38/09/377963809.db2.gz LLXULMWMNXYLCF-UHFFFAOYSA-N 1 1 292.382 3.182 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@H](C)[C@@H](OC)C2)cc1 ZINC000343466087 377989153 /nfs/dbraw/zinc/98/91/53/377989153.db2.gz IHIZECJIPIXGHH-YOEHRIQHSA-N 1 1 275.392 3.108 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(OC)cc1OC(F)F ZINC000343501811 377997667 /nfs/dbraw/zinc/99/76/67/377997667.db2.gz XXGWAAGIWJXHPI-UHFFFAOYSA-N 1 1 271.307 3.305 20 30 CGEDMO N#CCC[N@@H+](CCCOCCc1ccccc1)CC1CC1 ZINC000267048272 378030918 /nfs/dbraw/zinc/03/09/18/378030918.db2.gz FRIALKXXBZVUJH-UHFFFAOYSA-N 1 1 286.419 3.261 20 30 CGEDMO C=CC[N@H+](CCC(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000343602380 378036821 /nfs/dbraw/zinc/03/68/21/378036821.db2.gz JVYCNNSETDGLJZ-OAHLLOKOSA-N 1 1 299.422 3.257 20 30 CGEDMO N#Cc1cc(F)ccc1C[NH2+]C1(c2ccccc2)CC1 ZINC000343561605 378020537 /nfs/dbraw/zinc/02/05/37/378020537.db2.gz ZOEDBDJRQNAOJR-UHFFFAOYSA-N 1 1 266.319 3.476 20 30 CGEDMO C[C@H]1CC[C@@H]([N@H+](CC#Cc2ccccc2Cl)CCO)C1 ZINC000577903896 378022420 /nfs/dbraw/zinc/02/24/20/378022420.db2.gz QKSSNYMEZAOKRD-GOEBONIOSA-N 1 1 291.822 3.174 20 30 CGEDMO CC[N@H+](C/C=C\c1ccc(F)c(F)c1)C[C@H](C)C#N ZINC000578918701 378114506 /nfs/dbraw/zinc/11/45/06/378114506.db2.gz LBKCTOUXMOLBRY-QMAVJUDZSA-N 1 1 264.319 3.460 20 30 CGEDMO CC[N@@H+](C/C=C\c1ccc(F)c(F)c1)C[C@H](C)C#N ZINC000578918701 378114509 /nfs/dbraw/zinc/11/45/09/378114509.db2.gz LBKCTOUXMOLBRY-QMAVJUDZSA-N 1 1 264.319 3.460 20 30 CGEDMO C=CCOc1cccc(C[NH2+][C@H]2CCCc3c[nH]nc32)c1 ZINC000268874490 378137962 /nfs/dbraw/zinc/13/79/62/378137962.db2.gz WDJUPOMFGKERSE-INIZCTEOSA-N 1 1 283.375 3.142 20 30 CGEDMO CCCC[N@H+](C)C[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000579292177 378146179 /nfs/dbraw/zinc/14/61/79/378146179.db2.gz ZPDXENCXLMNFIU-CABCVRRESA-N 1 1 273.424 3.329 20 30 CGEDMO CCCC[N@@H+](C)C[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000579292177 378146190 /nfs/dbraw/zinc/14/61/90/378146190.db2.gz ZPDXENCXLMNFIU-CABCVRRESA-N 1 1 273.424 3.329 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@H]1CN1CCC(CCC#N)CC1 ZINC000579349771 378152613 /nfs/dbraw/zinc/15/26/13/378152613.db2.gz WASSLIIDYFJFFF-KRWDZBQOSA-N 1 1 277.456 3.265 20 30 CGEDMO CC(C)N1CCCC[C@H]1C[NH+]1CCC(CCC#N)CC1 ZINC000579349771 378152618 /nfs/dbraw/zinc/15/26/18/378152618.db2.gz WASSLIIDYFJFFF-KRWDZBQOSA-N 1 1 277.456 3.265 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)c(F)c1 ZINC000578886310 378110889 /nfs/dbraw/zinc/11/08/89/378110889.db2.gz UGMDAVNIGBTOIP-KRWDZBQOSA-N 1 1 296.345 3.351 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(CCCCC#N)C1 ZINC000344591389 378174884 /nfs/dbraw/zinc/17/48/84/378174884.db2.gz KKERLPHOFIOPQP-OWCLPIDISA-N 1 1 263.429 3.017 20 30 CGEDMO CC[N@@H+](C[C@@H](C)C#N)[C@@H](CCOC)c1ccccc1 ZINC000345394637 378276130 /nfs/dbraw/zinc/27/61/30/378276130.db2.gz HIITYSYNLJLVIK-HOCLYGCPSA-N 1 1 260.381 3.246 20 30 CGEDMO COCc1ccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)o1 ZINC000269644170 378248885 /nfs/dbraw/zinc/24/88/85/378248885.db2.gz YSKKVQCNPKMHOG-UHFFFAOYSA-N 1 1 282.343 3.077 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000270564324 378370088 /nfs/dbraw/zinc/37/00/88/378370088.db2.gz YPFJPMUONUYXOM-AWEZNQCLSA-N 1 1 299.349 3.078 20 30 CGEDMO C=CCCC[C@@H](C)[N@@H+]1CC[S@@](=O)C(CC)(CC)C1 ZINC000346034994 378446081 /nfs/dbraw/zinc/44/60/81/378446081.db2.gz SLDMJZRXRFKPBH-RDTXWAMCSA-N 1 1 271.470 3.354 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+](C)Cc1cccs1 ZINC000271078601 378448753 /nfs/dbraw/zinc/44/87/53/378448753.db2.gz XRWBLONBGRHJKJ-UHFFFAOYSA-N 1 1 272.373 3.260 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)Cc1cccs1 ZINC000271078601 378448760 /nfs/dbraw/zinc/44/87/60/378448760.db2.gz XRWBLONBGRHJKJ-UHFFFAOYSA-N 1 1 272.373 3.260 20 30 CGEDMO C#CCCC[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000270998668 378424897 /nfs/dbraw/zinc/42/48/97/378424897.db2.gz FSCHYNCGNYMNAE-OAHLLOKOSA-N 1 1 263.768 3.127 20 30 CGEDMO C[C@@H]([NH2+]CC1(N(C)C)CCCC1)c1ccc(C#N)c(F)c1 ZINC000271937436 378523620 /nfs/dbraw/zinc/52/36/20/378523620.db2.gz NPLDCRZKVKMJLX-CYBMUJFWSA-N 1 1 289.398 3.222 20 30 CGEDMO CC[C@@H](C)[N@@H+](C)CCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271937861 378524090 /nfs/dbraw/zinc/52/40/90/378524090.db2.gz KUHHWUGPONOMIP-OLZOCXBDSA-N 1 1 277.387 3.078 20 30 CGEDMO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271937861 378524094 /nfs/dbraw/zinc/52/40/94/378524094.db2.gz KUHHWUGPONOMIP-OLZOCXBDSA-N 1 1 277.387 3.078 20 30 CGEDMO CC[N@@H+](CCN[C@H](C)c1ccc(C#N)c(F)c1)C(C)C ZINC000346146528 378478981 /nfs/dbraw/zinc/47/89/81/378478981.db2.gz BXMGSMKZONLWEK-CYBMUJFWSA-N 1 1 277.387 3.078 20 30 CGEDMO CCN(CC[NH2+][C@H](C)c1ccc(C#N)c(F)c1)C(C)C ZINC000346146528 378478988 /nfs/dbraw/zinc/47/89/88/378478988.db2.gz BXMGSMKZONLWEK-CYBMUJFWSA-N 1 1 277.387 3.078 20 30 CGEDMO C=CC(C)(C)CCNC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000637321398 378483701 /nfs/dbraw/zinc/48/37/01/378483701.db2.gz HGTLZJQEXSUZMN-LSDHHAIUSA-N 1 1 295.471 3.103 20 30 CGEDMO C=CC(C)(C)CCNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000637321395 378484434 /nfs/dbraw/zinc/48/44/34/378484434.db2.gz HGTLZJQEXSUZMN-CABCVRRESA-N 1 1 295.471 3.103 20 30 CGEDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000271443954 378492671 /nfs/dbraw/zinc/49/26/71/378492671.db2.gz CEIOTWUGYYYJCO-WFASDCNBSA-N 1 1 296.374 3.371 20 30 CGEDMO C=CC[N@H+](CCC[C@H]1CCO1)Cc1ccccc1F ZINC000637965577 378649245 /nfs/dbraw/zinc/64/92/45/378649245.db2.gz JWRSEUABVVDSPH-HNNXBMFYSA-N 1 1 263.356 3.383 20 30 CGEDMO C=CCOCCC[N@H+]1CCc2sccc2[C@@H]1C ZINC000347965834 378741419 /nfs/dbraw/zinc/74/14/19/378741419.db2.gz FHEAAPDXEOEROF-LBPRGKRZSA-N 1 1 251.395 3.260 20 30 CGEDMO C=CCOCCC[N@H+]1[C@H](C)COC[C@H]1c1ccccc1 ZINC000348028984 378757560 /nfs/dbraw/zinc/75/75/60/378757560.db2.gz HCLWREDDEDFULA-WBVHZDCISA-N 1 1 275.392 3.041 20 30 CGEDMO C=C(Cl)CN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272812574 378708514 /nfs/dbraw/zinc/70/85/14/378708514.db2.gz NQZLRKLRJFPVOP-ZBFHGGJFSA-N 1 1 278.827 3.239 20 30 CGEDMO C=CCOCCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000348040431 378763533 /nfs/dbraw/zinc/76/35/33/378763533.db2.gz VPIVIEVGDWIVFJ-UHFFFAOYSA-N 1 1 265.784 3.291 20 30 CGEDMO C=CCOCCC[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000348049012 378765943 /nfs/dbraw/zinc/76/59/43/378765943.db2.gz HYCPIPHRKFPYJQ-GOSISDBHSA-N 1 1 288.435 3.482 20 30 CGEDMO C=CCOCCC[N@@H+]1C[C@H](c2ccccc2C)OC[C@H]1C ZINC000348028900 378758688 /nfs/dbraw/zinc/75/86/88/378758688.db2.gz CVROVXOPTVXJGK-SJLPKXTDSA-N 1 1 289.419 3.350 20 30 CGEDMO C=C(C)C[N@@H+](CCOCC(F)F)Cc1ccccc1 ZINC000348234983 378855671 /nfs/dbraw/zinc/85/56/71/378855671.db2.gz STGXXGQPICFQIO-UHFFFAOYSA-N 1 1 269.335 3.346 20 30 CGEDMO CCn1cc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)cn1 ZINC000346860993 218040430 /nfs/dbraw/zinc/04/04/30/218040430.db2.gz DHOAJKGQXLNLRV-RYUDHWBXSA-N 1 1 286.354 3.326 20 30 CGEDMO C=CC[N@@H+](Cc1cc(OC)c(O)cc1Cl)C1CC1 ZINC000639062058 378996138 /nfs/dbraw/zinc/99/61/38/378996138.db2.gz QIJYRUITXPKGLC-UHFFFAOYSA-N 1 1 267.756 3.205 20 30 CGEDMO C=CC[N@H+](Cc1cc(OC)c(O)cc1Cl)C1CC1 ZINC000639062058 378996144 /nfs/dbraw/zinc/99/61/44/378996144.db2.gz QIJYRUITXPKGLC-UHFFFAOYSA-N 1 1 267.756 3.205 20 30 CGEDMO N#Cc1cc(F)ccc1C[NH2+][C@H](c1cccnc1)C1CC1 ZINC000347351485 218201021 /nfs/dbraw/zinc/20/10/21/218201021.db2.gz BOFMEGYSEKWMHN-KRWDZBQOSA-N 1 1 281.334 3.333 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCCC12CCC2 ZINC000373094904 379219917 /nfs/dbraw/zinc/21/99/17/379219917.db2.gz LWBCMORMTQAENZ-UHFFFAOYSA-N 1 1 256.349 3.085 20 30 CGEDMO C=CCCCCC[N@H+]1CCOC[C@@H]1c1c(C)n[nH]c1C ZINC000373277584 379252161 /nfs/dbraw/zinc/25/21/61/379252161.db2.gz HLEYKVWHOLIEIL-OAHLLOKOSA-N 1 1 277.412 3.146 20 30 CGEDMO C=CCCCCC[N@@H+]1CCOC[C@@H]1c1c(C)n[nH]c1C ZINC000373277584 379252175 /nfs/dbraw/zinc/25/21/75/379252175.db2.gz HLEYKVWHOLIEIL-OAHLLOKOSA-N 1 1 277.412 3.146 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H](C)C1 ZINC000266558510 190267022 /nfs/dbraw/zinc/26/70/22/190267022.db2.gz WONAKSBNHVSFQL-STQMWFEESA-N 1 1 296.374 3.229 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000374624080 379471402 /nfs/dbraw/zinc/47/14/02/379471402.db2.gz YAVGNMHFNFSZNC-CQSZACIVSA-N 1 1 292.427 3.061 20 30 CGEDMO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000376672528 379592987 /nfs/dbraw/zinc/59/29/87/379592987.db2.gz NVCUDPBQVMLAQS-AEFFLSMTSA-N 1 1 297.446 3.180 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccc(OC)cc1)[C@@H](C)CCCO ZINC000640013851 379685943 /nfs/dbraw/zinc/68/59/43/379685943.db2.gz TZGYSFGBYUTCAT-HNNXBMFYSA-N 1 1 277.408 3.234 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+]1CCC[C@@](C)(OC)CC1 ZINC000280385534 379692796 /nfs/dbraw/zinc/69/27/96/379692796.db2.gz WMRRSRVPYFGSRM-GOSISDBHSA-N 1 1 287.403 3.090 20 30 CGEDMO C[N@H+](CCCC(=O)c1ccccc1)[C@@H]1CCC[C@H]1C#N ZINC000640029591 379694552 /nfs/dbraw/zinc/69/45/52/379694552.db2.gz JVFUDZLWGSYFAL-JKSUJKDBSA-N 1 1 270.376 3.274 20 30 CGEDMO C[N@@H+](CCCC(=O)c1ccccc1)[C@@H]1CCC[C@H]1C#N ZINC000640029591 379694556 /nfs/dbraw/zinc/69/45/56/379694556.db2.gz JVFUDZLWGSYFAL-JKSUJKDBSA-N 1 1 270.376 3.274 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cnn(CC(F)F)c1 ZINC000351625306 379732008 /nfs/dbraw/zinc/73/20/08/379732008.db2.gz WBUCFTKZUJBQMB-UHFFFAOYSA-N 1 1 271.355 3.326 20 30 CGEDMO N#CC1(F)CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000352450721 379819771 /nfs/dbraw/zinc/81/97/71/379819771.db2.gz SDYRUKBSWBWYPN-UHFFFAOYSA-N 1 1 269.323 3.062 20 30 CGEDMO C=C(C)CCn1cc([C@H]([NH3+])c2ccc(Cl)cc2F)nn1 ZINC000641069462 379924419 /nfs/dbraw/zinc/92/44/19/379924419.db2.gz IPLWRQVURDECDN-CQSZACIVSA-N 1 1 294.761 3.085 20 30 CGEDMO N#Cc1csc(C[NH2+][C@H](c2cccs2)C2CC2)n1 ZINC000352823467 379982561 /nfs/dbraw/zinc/98/25/61/379982561.db2.gz NKLDJORQYVVXTK-ZDUSSCGKSA-N 1 1 275.402 3.317 20 30 CGEDMO C[N@@H+](CCCCC(C)(C)C#N)CCC1CCOCC1 ZINC000409446022 380034006 /nfs/dbraw/zinc/03/40/06/380034006.db2.gz CGHCIVCIGYVOJA-UHFFFAOYSA-N 1 1 266.429 3.455 20 30 CGEDMO CSc1cccc(F)c1C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000352896414 380024211 /nfs/dbraw/zinc/02/42/11/380024211.db2.gz HIUGUXSQWJSHIF-UHFFFAOYSA-N 1 1 289.379 3.048 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+]2CCCCC[C@H]2CC(C)C)C1=O ZINC000410385003 380090257 /nfs/dbraw/zinc/09/02/57/380090257.db2.gz UZAUXRIOPOXHCP-HOTGVXAUSA-N 1 1 278.440 3.064 20 30 CGEDMO COCC[N@@H+](CCSC(C)C)Cc1ccc(C#N)cc1 ZINC000283565967 380073392 /nfs/dbraw/zinc/07/33/92/380073392.db2.gz OCUMKLNKQYSLJY-UHFFFAOYSA-N 1 1 292.448 3.148 20 30 CGEDMO C=CCN1CC[C@@H]([N@H+](CCCC)C2CCCCC2)C1=O ZINC000410340672 380086417 /nfs/dbraw/zinc/08/64/17/380086417.db2.gz ZUDWDHHTVURIEK-MRXNPFEDSA-N 1 1 278.440 3.208 20 30 CGEDMO C[C@@H]([NH2+]CCC#N)c1cccc(OC(F)(F)F)c1 ZINC000411474754 380146730 /nfs/dbraw/zinc/14/67/30/380146730.db2.gz MOGJNILTOIAKIN-SECBINFHSA-N 1 1 258.243 3.149 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N1CCCCC1 ZINC000411130892 380130387 /nfs/dbraw/zinc/13/03/87/380130387.db2.gz IUSJWHZSTUNIGK-MRXNPFEDSA-N 1 1 286.419 3.076 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N1CCCCC1 ZINC000411130892 380130390 /nfs/dbraw/zinc/13/03/90/380130390.db2.gz IUSJWHZSTUNIGK-MRXNPFEDSA-N 1 1 286.419 3.076 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000411143409 380132334 /nfs/dbraw/zinc/13/23/34/380132334.db2.gz HZEPQBNXTNUOBB-LSDHHAIUSA-N 1 1 285.391 3.029 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000411143392 380132408 /nfs/dbraw/zinc/13/24/08/380132408.db2.gz HZEPQBNXTNUOBB-CABCVRRESA-N 1 1 285.391 3.029 20 30 CGEDMO CC[N@@H+](CCC1(C#N)CCCCC1)C[C@@H](O)C(F)(F)F ZINC000411565166 380151565 /nfs/dbraw/zinc/15/15/65/380151565.db2.gz HMGXLRIMANXUTL-GFCCVEGCSA-N 1 1 292.345 3.096 20 30 CGEDMO COCC#CC[N@@H+](C(C)C)[C@@H](C)c1ccsc1 ZINC000643255273 380245823 /nfs/dbraw/zinc/24/58/23/380245823.db2.gz GCLNIGQECLANNQ-ZDUSSCGKSA-N 1 1 251.395 3.169 20 30 CGEDMO N#Cc1csc(C[N@H+]2CC[C@@H]2Cc2ccccc2)c1 ZINC000353973027 380258846 /nfs/dbraw/zinc/25/88/46/380258846.db2.gz PDUDMOAKLLPGPZ-OAHLLOKOSA-N 1 1 268.385 3.437 20 30 CGEDMO CC[N@@H+](CCC1CC1)Cc1ccc(OC)c(C#N)c1 ZINC000355066329 380571197 /nfs/dbraw/zinc/57/11/97/380571197.db2.gz TUMGZDBCZLKRCW-UHFFFAOYSA-N 1 1 258.365 3.189 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)CC1(C)C ZINC000355504456 380692101 /nfs/dbraw/zinc/69/21/01/380692101.db2.gz GLUAZHIKUWJONM-ZDUSSCGKSA-N 1 1 282.391 3.074 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2cncn2CC)CCCC1(C)C ZINC000418040831 380696432 /nfs/dbraw/zinc/69/64/32/380696432.db2.gz WKQCBPADHOWQMG-HNNXBMFYSA-N 1 1 261.413 3.470 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@@H](CC)OC ZINC000419206070 380777260 /nfs/dbraw/zinc/77/72/60/380777260.db2.gz KAHHXQMUZPRXEN-CQSZACIVSA-N 1 1 251.345 3.239 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1C[C@H](C)[C@H](C)[C@@H]1C ZINC000419368990 380816683 /nfs/dbraw/zinc/81/66/83/380816683.db2.gz GPUBZGYARODQKH-AVGNSLFASA-N 1 1 258.365 3.043 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H](CCO)CC1 ZINC000421020379 380870064 /nfs/dbraw/zinc/87/00/64/380870064.db2.gz RAZMHPPPBHATJR-HNNXBMFYSA-N 1 1 266.429 3.191 20 30 CGEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](c3ccccc3)C2(C)C)C1=O ZINC000421019053 380871758 /nfs/dbraw/zinc/87/17/58/380871758.db2.gz LVHUDAVRAQHMDU-IAGOWNOFSA-N 1 1 298.430 3.041 20 30 CGEDMO CC[C@@H]1C[C@H](C[N@@H+](C)Cc2cccc(C#N)c2)CCO1 ZINC000356915039 380936949 /nfs/dbraw/zinc/93/69/49/380936949.db2.gz IUFPFBYNFOGHID-IAGOWNOFSA-N 1 1 272.392 3.195 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000357040615 381006304 /nfs/dbraw/zinc/00/63/04/381006304.db2.gz OFVNUJOBBMUMJW-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO CC(=O)c1ccc(C#N)c(NCC[N@H+](C)C2CCCCC2)c1 ZINC000357191716 381063158 /nfs/dbraw/zinc/06/31/58/381063158.db2.gz SCPVJYMPGSUVQE-UHFFFAOYSA-N 1 1 299.418 3.437 20 30 CGEDMO CC[C@H](C)[N@@H+](C)CCNc1c(Cl)cccc1C#N ZINC000357236037 381077545 /nfs/dbraw/zinc/07/75/45/381077545.db2.gz SEGMCQYMZQJUIM-NSHDSACASA-N 1 1 265.788 3.354 20 30 CGEDMO CC[C@@H](CC#N)NC(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000358085421 381291373 /nfs/dbraw/zinc/29/13/73/381291373.db2.gz YAZZTPRSKOFXGH-INIZCTEOSA-N 1 1 299.418 3.093 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1cc(C)c2ncccc2c1 ZINC000358281707 381300114 /nfs/dbraw/zinc/30/01/14/381300114.db2.gz SBUMIYJIXRRWST-OAHLLOKOSA-N 1 1 253.349 3.325 20 30 CGEDMO CC[C@@H]1CCC[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000360017599 381413119 /nfs/dbraw/zinc/41/31/19/381413119.db2.gz OZCITKBMAZMSLN-QGZVFWFLSA-N 1 1 294.402 3.333 20 30 CGEDMO CCC[N@H+]1CCC[C@@H]1CNc1nc(C)c(C#N)cc1Cl ZINC000359966675 381391566 /nfs/dbraw/zinc/39/15/66/381391566.db2.gz ASCVXHDEPJTCQZ-CYBMUJFWSA-N 1 1 292.814 3.201 20 30 CGEDMO C=C(CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)c1ccccc1 ZINC000360207370 381479626 /nfs/dbraw/zinc/47/96/26/381479626.db2.gz GTXSTWAOSWDTOI-GOSISDBHSA-N 1 1 298.430 3.223 20 30 CGEDMO CC[N@H+](Cc1ccc(C#N)cc1OC)CC1CCC1 ZINC000361482403 381765924 /nfs/dbraw/zinc/76/59/24/381765924.db2.gz XQEQLIHJXKADIN-UHFFFAOYSA-N 1 1 258.365 3.189 20 30 CGEDMO CC[N@H+](Cc1ccc(C#N)cc1Cl)C[C@H](C)OC ZINC000361571166 381811201 /nfs/dbraw/zinc/81/12/01/381811201.db2.gz ZWWNBWKXJWHXKJ-NSHDSACASA-N 1 1 266.772 3.068 20 30 CGEDMO COCC[N@@H+](Cc1ccc(F)cc1C#N)[C@H]1CC[C@@H](C)C1 ZINC000362144605 381887598 /nfs/dbraw/zinc/88/75/98/381887598.db2.gz RDTBXZKEYHSPCF-DYVFJYSZSA-N 1 1 290.382 3.334 20 30 CGEDMO C=CCCC[C@@H](C)[N@@H+]1CCO[C@H](c2cnn(CC)c2)C1 ZINC000362091976 381882336 /nfs/dbraw/zinc/88/23/36/381882336.db2.gz ZJIUYMBUDRIBND-ZBFHGGJFSA-N 1 1 277.412 3.021 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CCC[C@H](c3ccccc3)C2)n1 ZINC000334920208 207293598 /nfs/dbraw/zinc/29/35/98/207293598.db2.gz NEAFABVBMLGLRU-AWEZNQCLSA-N 1 1 283.400 3.394 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@H](c3ccccc3)C2)n1 ZINC000334920208 207293600 /nfs/dbraw/zinc/29/36/00/207293600.db2.gz NEAFABVBMLGLRU-AWEZNQCLSA-N 1 1 283.400 3.394 20 30 CGEDMO C=CCCCCC[N@H+](C)CCC(=O)Nc1cccnc1 ZINC000361832895 381871632 /nfs/dbraw/zinc/87/16/32/381871632.db2.gz KTDOMYOADKCNKP-UHFFFAOYSA-N 1 1 275.396 3.088 20 30 CGEDMO CC(C)[N@@H+](CC#Cc1ccccc1)Cc1cccnc1 ZINC000361864657 381874203 /nfs/dbraw/zinc/87/42/03/381874203.db2.gz CETSEDOUETYBPF-UHFFFAOYSA-N 1 1 264.372 3.344 20 30 CGEDMO C[C@H]1CCOCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000362234139 381912947 /nfs/dbraw/zinc/91/29/47/381912947.db2.gz GXMZUXQUMXBGRA-AWEZNQCLSA-N 1 1 272.392 3.099 20 30 CGEDMO COCC[N@@H+](Cc1cc(C#N)ccc1F)[C@@H]1CC[C@H](C)C1 ZINC000362157122 381891984 /nfs/dbraw/zinc/89/19/84/381891984.db2.gz OUZHMJNTMJTOCF-XJKSGUPXSA-N 1 1 290.382 3.334 20 30 CGEDMO COC1(c2ccccc2)C[NH+](CC(C)(C)CCC#N)C1 ZINC000362312887 381938800 /nfs/dbraw/zinc/93/88/00/381938800.db2.gz OMCCNJVPJJIODE-UHFFFAOYSA-N 1 1 272.392 3.174 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c1C ZINC000362448027 381996109 /nfs/dbraw/zinc/99/61/09/381996109.db2.gz MHWFVSWQQYKJDB-IYBDPMFKSA-N 1 1 286.419 3.206 20 30 CGEDMO CO[C@@]1(C)CCC[N@@H+](CCCC(C)(C)C#N)CC1 ZINC000366467061 382308489 /nfs/dbraw/zinc/30/84/89/382308489.db2.gz RQIMUHLJEQYHQD-HNNXBMFYSA-N 1 1 252.402 3.207 20 30 CGEDMO CSCC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000367210098 382339442 /nfs/dbraw/zinc/33/94/42/382339442.db2.gz ZPSAJBMEMPPDTH-UHFFFAOYSA-N 1 1 258.390 3.010 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000335382330 208325557 /nfs/dbraw/zinc/32/55/57/208325557.db2.gz YRTFJOYFJXQFIV-YOEHRIQHSA-N 1 1 288.366 3.088 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000289427898 197342402 /nfs/dbraw/zinc/34/24/02/197342402.db2.gz CNZORODRISTJDR-IAGOWNOFSA-N 1 1 282.387 3.092 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000289427898 197342404 /nfs/dbraw/zinc/34/24/04/197342404.db2.gz CNZORODRISTJDR-IAGOWNOFSA-N 1 1 282.387 3.092 20 30 CGEDMO CC(C)c1nc([C@@H]2CCC[N@H+]([C@@H]3CC[C@@H](C#N)C3)C2)no1 ZINC000328719106 542445131 /nfs/dbraw/zinc/44/51/31/542445131.db2.gz GCPFNNQWFMCVDZ-MGPQQGTHSA-N 1 1 288.395 3.065 20 30 CGEDMO Cc1cc(NC(=O)[C@@H]2CCC(=O)[C@H](C)C2)cn2cc[nH+]c12 ZINC000329371965 542446047 /nfs/dbraw/zinc/44/60/47/542446047.db2.gz JEEIJFOSFLKJNB-ZYHUDNBSSA-N 1 1 285.347 3.236 20 30 CGEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1cccc2ccccc21 ZINC000171109399 335055664 /nfs/dbraw/zinc/05/56/64/335055664.db2.gz UAXBAFLHBWEBHT-UHFFFAOYSA-N 1 1 268.360 3.286 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)Nc1cccc2ccccc21 ZINC000171109399 335055665 /nfs/dbraw/zinc/05/56/65/335055665.db2.gz UAXBAFLHBWEBHT-UHFFFAOYSA-N 1 1 268.360 3.286 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCCCC[C@@H]2CCO)cc1 ZINC000342829032 542497836 /nfs/dbraw/zinc/49/78/36/542497836.db2.gz ZBVBJHHPIADONU-QGZVFWFLSA-N 1 1 289.419 3.378 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+]1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000353200725 542555127 /nfs/dbraw/zinc/55/51/27/542555127.db2.gz CKASZPAHHHGODP-SJLPKXTDSA-N 1 1 298.430 3.270 20 30 CGEDMO CC[C@H](O)[C@H]1CCCC[N@H+]1CCCCC(C)(C)C#N ZINC000336806202 262395698 /nfs/dbraw/zinc/39/56/98/262395698.db2.gz LAEJYFKGNQXPQH-CABCVRRESA-N 1 1 266.429 3.332 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+](C)Cc1ccc(F)cc1 ZINC000179653374 260061448 /nfs/dbraw/zinc/06/14/48/260061448.db2.gz SXHJILXGXHGRQU-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)Cc1ccc(F)cc1 ZINC000179653374 260061453 /nfs/dbraw/zinc/06/14/53/260061453.db2.gz SXHJILXGXHGRQU-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO CCCn1ccnc1CCC[N@@H+](C)Cc1cccc(C#N)c1 ZINC000191495348 130244356 /nfs/dbraw/zinc/24/43/56/130244356.db2.gz WLHHAVJLRKVOKR-UHFFFAOYSA-N 1 1 296.418 3.229 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000192133959 130380615 /nfs/dbraw/zinc/38/06/15/130380615.db2.gz GHVXGOXLQRPNKD-SFHVURJKSA-N 1 1 262.356 3.270 20 30 CGEDMO CC[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000037022565 391979132 /nfs/dbraw/zinc/97/91/32/391979132.db2.gz XPIASUOALWDKQK-HNNXBMFYSA-N 1 1 285.391 3.151 20 30 CGEDMO COc1cccc(C[N@@H+](CCC#N)CC(C)(C)C)c1O ZINC000093101223 392236003 /nfs/dbraw/zinc/23/60/03/392236003.db2.gz KGCDEYMXZMBDIL-UHFFFAOYSA-N 1 1 276.380 3.163 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C)c1 ZINC000282234601 392286187 /nfs/dbraw/zinc/28/61/87/392286187.db2.gz ISSVINZBRXKTQX-GOEBONIOSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CCC[C@@H](NC[C@H]1CC[N@H+](CC)C1)c1ccco1 ZINC000285663526 392328531 /nfs/dbraw/zinc/32/85/31/392328531.db2.gz MYTNDXXKUWGMSS-HUUCEWRRSA-N 1 1 262.397 3.218 20 30 CGEDMO C[C@@H](c1cccnc1)[N@@H+](C)CCOc1ccccc1C#N ZINC000108386218 392342370 /nfs/dbraw/zinc/34/23/70/392342370.db2.gz FZGMPUQEEXGZPL-AWEZNQCLSA-N 1 1 281.359 3.025 20 30 CGEDMO C=CCCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000286213285 392379074 /nfs/dbraw/zinc/37/90/74/392379074.db2.gz YLBAQNYYUNTCQH-SQNIBIBYSA-N 1 1 271.404 3.457 20 30 CGEDMO C[C@@H](O)C[N@@H+](Cc1cc(C#N)ccc1F)C1CCCCC1 ZINC000263789653 131331299 /nfs/dbraw/zinc/33/12/99/131331299.db2.gz QBUPYRGTSOYQHQ-CYBMUJFWSA-N 1 1 290.382 3.213 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000121170132 392410627 /nfs/dbraw/zinc/41/06/27/392410627.db2.gz MYDKUSVYJXRGBY-UHFFFAOYSA-N 1 1 259.271 3.246 20 30 CGEDMO C=C(Br)C[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000289293458 392419201 /nfs/dbraw/zinc/41/92/01/392419201.db2.gz HJEIXPKXNKCNAL-ZDUSSCGKSA-N 1 1 281.197 3.170 20 30 CGEDMO C=C(Br)C[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000289293458 392419207 /nfs/dbraw/zinc/41/92/07/392419207.db2.gz HJEIXPKXNKCNAL-ZDUSSCGKSA-N 1 1 281.197 3.170 20 30 CGEDMO FC1(c2ccccn2)CC[NH+](CC#Cc2ccccc2)CC1 ZINC000289302683 392419377 /nfs/dbraw/zinc/41/93/77/392419377.db2.gz IJRLCZXBCMFLMC-UHFFFAOYSA-N 1 1 294.373 3.394 20 30 CGEDMO Cc1ccc(C[NH+]2CCC(C#N)CC2)c(Br)c1 ZINC000123737431 392431003 /nfs/dbraw/zinc/43/10/03/392431003.db2.gz CXXAFXFIABZXDH-UHFFFAOYSA-N 1 1 293.208 3.493 20 30 CGEDMO C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)CCC1(F)F ZINC000289752412 392430926 /nfs/dbraw/zinc/43/09/26/392430926.db2.gz KEMOHWVUZCGTFS-GFCCVEGCSA-N 1 1 267.294 3.154 20 30 CGEDMO C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)CCC1(F)F ZINC000289752412 392430933 /nfs/dbraw/zinc/43/09/33/392430933.db2.gz KEMOHWVUZCGTFS-GFCCVEGCSA-N 1 1 267.294 3.154 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000366093015 392450151 /nfs/dbraw/zinc/45/01/51/392450151.db2.gz NTELAVIQKMNMGZ-HNNXBMFYSA-N 1 1 267.413 3.003 20 30 CGEDMO N#Cc1cccc([C@@H]2C[N@@H+](CC3CCCC3)CCO2)c1 ZINC000362057430 392398072 /nfs/dbraw/zinc/39/80/72/392398072.db2.gz BHPSDHZCBSFFKB-KRWDZBQOSA-N 1 1 270.376 3.122 20 30 CGEDMO CCCc1nc(C)c(C[NH2+]Cc2ccc(C#N)c(OC)c2)o1 ZINC000291782855 392480340 /nfs/dbraw/zinc/48/03/40/392480340.db2.gz VEHXQBRBYABQGY-UHFFFAOYSA-N 1 1 299.374 3.106 20 30 CGEDMO CCC[N@@H+](CCOc1ccc(C#N)cc1OC)CC1CC1 ZINC000158170134 392558813 /nfs/dbraw/zinc/55/88/13/392558813.db2.gz DYXUKQOYHRKEAS-UHFFFAOYSA-N 1 1 288.391 3.068 20 30 CGEDMO CC[N@H+](Cc1ccccc1C(C)(C)C#N)C[C@@H]1CCCO1 ZINC000178535259 392680691 /nfs/dbraw/zinc/68/06/91/392680691.db2.gz STGVTVDZORDHQJ-INIZCTEOSA-N 1 1 286.419 3.489 20 30 CGEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000181301414 392726235 /nfs/dbraw/zinc/72/62/35/392726235.db2.gz NPDODNMKUXSIGD-UHFFFAOYSA-N 1 1 286.297 3.152 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000181301414 392726242 /nfs/dbraw/zinc/72/62/42/392726242.db2.gz NPDODNMKUXSIGD-UHFFFAOYSA-N 1 1 286.297 3.152 20 30 CGEDMO C=C(C)C[N@H+](C)CCOc1ccc(SC)cc1 ZINC000181333796 392729073 /nfs/dbraw/zinc/72/90/73/392729073.db2.gz OBYQKFZEOBOVDA-UHFFFAOYSA-N 1 1 251.395 3.295 20 30 CGEDMO C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1nccs1 ZINC000334836146 392753321 /nfs/dbraw/zinc/75/33/21/392753321.db2.gz WCNVZHNKUGBIPQ-IINYFYTJSA-N 1 1 269.373 3.353 20 30 CGEDMO CCOC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C)C1 ZINC000186231246 392779941 /nfs/dbraw/zinc/77/99/41/392779941.db2.gz ZQSMJSWVSYOJOK-MRXNPFEDSA-N 1 1 272.392 3.115 20 30 CGEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2C)cc1O ZINC000186255567 392780632 /nfs/dbraw/zinc/78/06/32/392780632.db2.gz UDYSZCFWMXVVKY-UHFFFAOYSA-N 1 1 296.370 3.213 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CC[C@H](C)O1 ZINC000190383441 392816112 /nfs/dbraw/zinc/81/61/12/392816112.db2.gz RPWUFQWSHARCGG-WMLDXEAASA-N 1 1 272.392 3.338 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+](CCC(C)C)C1CCCC1 ZINC000519904381 392901923 /nfs/dbraw/zinc/90/19/23/392901923.db2.gz ICGCVHSTJIQMBO-UHFFFAOYSA-N 1 1 292.467 3.478 20 30 CGEDMO Cc1cc(F)cc2c1C[N@H+]([C@H]1CC[C@H](C#N)C1)CC2 ZINC000336575818 392862812 /nfs/dbraw/zinc/86/28/12/392862812.db2.gz XFIRYLIJAXNENL-WFASDCNBSA-N 1 1 258.340 3.185 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2cncnc2OC)CCCC1(C)C ZINC000648029110 392876083 /nfs/dbraw/zinc/87/60/83/392876083.db2.gz WXTWJNRHWLPTRM-CQSZACIVSA-N 1 1 275.396 3.052 20 30 CGEDMO C=C(C)CC[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000338597639 392922823 /nfs/dbraw/zinc/92/28/23/392922823.db2.gz JKTQNFPAVCWHQS-UHFFFAOYSA-N 1 1 282.391 3.198 20 30 CGEDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459358639 392941923 /nfs/dbraw/zinc/94/19/23/392941923.db2.gz MXWTWWWSPIHSOP-DGCLKSJQSA-N 1 1 273.336 3.087 20 30 CGEDMO C[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)[C@H](C)[C@H](C)O1 ZINC000411609971 392981996 /nfs/dbraw/zinc/98/19/96/392981996.db2.gz MHCMLKRUIZLTDJ-KFWWJZLASA-N 1 1 264.413 3.348 20 30 CGEDMO CC[C@]1(CO)CCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411610921 392982490 /nfs/dbraw/zinc/98/24/90/392982490.db2.gz HBIGTDWBWWSSFW-MRXNPFEDSA-N 1 1 264.413 3.087 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)[C@@H](C)c1cccc(C#N)c1 ZINC000411653154 392983515 /nfs/dbraw/zinc/98/35/15/392983515.db2.gz YHHMIUPNFUTIGS-HNNXBMFYSA-N 1 1 271.408 3.059 20 30 CGEDMO C=CC[N@@H+](C)CCN(CC)[C@@H](C)c1cccc(C#N)c1 ZINC000411653154 392983519 /nfs/dbraw/zinc/98/35/19/392983519.db2.gz YHHMIUPNFUTIGS-HNNXBMFYSA-N 1 1 271.408 3.059 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)[C@@H](C)c1cccc(C#N)c1 ZINC000411653154 392983525 /nfs/dbraw/zinc/98/35/25/392983525.db2.gz YHHMIUPNFUTIGS-HNNXBMFYSA-N 1 1 271.408 3.059 20 30 CGEDMO C[NH+](C)[C@@H]1CCCN(CCC2(C#N)CCCCC2)CC1 ZINC000411633807 392984618 /nfs/dbraw/zinc/98/46/18/392984618.db2.gz KDTRKHQVJFSGGD-MRXNPFEDSA-N 1 1 277.456 3.267 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411961097 392991322 /nfs/dbraw/zinc/99/13/22/392991322.db2.gz ZLWABERVMFRJBY-CVEARBPZSA-N 1 1 272.392 3.124 20 30 CGEDMO N#CCCC[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412000927 392992266 /nfs/dbraw/zinc/99/22/66/392992266.db2.gz PIAWFAUAKCGRQC-INIZCTEOSA-N 1 1 270.376 3.144 20 30 CGEDMO C[C@H]1SCC[N@H+](CC2(C#N)CC2)[C@H]1c1ccccc1 ZINC000343315904 393024725 /nfs/dbraw/zinc/02/47/25/393024725.db2.gz RUUZGXPXOYCKDP-UKRRQHHQSA-N 1 1 272.417 3.469 20 30 CGEDMO C[C@H]1SCC[N@@H+](CC2(C#N)CC2)[C@H]1c1ccccc1 ZINC000343315904 393024729 /nfs/dbraw/zinc/02/47/29/393024729.db2.gz RUUZGXPXOYCKDP-UKRRQHHQSA-N 1 1 272.417 3.469 20 30 CGEDMO C[C@@H]1SCC[N@H+](CC2(C#N)CC2)[C@H]1c1ccccc1 ZINC000343315902 393024860 /nfs/dbraw/zinc/02/48/60/393024860.db2.gz RUUZGXPXOYCKDP-DZGCQCFKSA-N 1 1 272.417 3.469 20 30 CGEDMO C[C@@H]1SCC[N@@H+](CC2(C#N)CC2)[C@H]1c1ccccc1 ZINC000343315902 393024865 /nfs/dbraw/zinc/02/48/65/393024865.db2.gz RUUZGXPXOYCKDP-DZGCQCFKSA-N 1 1 272.417 3.469 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)CCOc1ccc(F)cc1 ZINC000346265417 393081862 /nfs/dbraw/zinc/08/18/62/393081862.db2.gz GANVRXHBSCMBNH-UHFFFAOYSA-N 1 1 278.371 3.466 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)CCOc1ccc(F)cc1 ZINC000346265417 393081870 /nfs/dbraw/zinc/08/18/70/393081870.db2.gz GANVRXHBSCMBNH-UHFFFAOYSA-N 1 1 278.371 3.466 20 30 CGEDMO N#CCCCOc1cccc(C[N@H+]2CCCSCC2)c1 ZINC000349034520 393136363 /nfs/dbraw/zinc/13/63/63/393136363.db2.gz DSLAFHPJDNQXJD-UHFFFAOYSA-N 1 1 290.432 3.308 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)cc1Cl ZINC000349360367 393146646 /nfs/dbraw/zinc/14/66/46/393146646.db2.gz AIOWEFFSTCQBCC-IUODEOHRSA-N 1 1 295.810 3.108 20 30 CGEDMO C=CCC(C)(C)CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC000648913744 393290030 /nfs/dbraw/zinc/29/00/30/393290030.db2.gz OHHVGCYKEJRSMC-CYBMUJFWSA-N 1 1 277.412 3.115 20 30 CGEDMO C=C(C)C[N@H+](Cc1c[nH]c(C(=O)OC)c1)Cc1ccccc1 ZINC000355217670 393265120 /nfs/dbraw/zinc/26/51/20/393265120.db2.gz JRJDFZGLHKELEM-UHFFFAOYSA-N 1 1 298.386 3.380 20 30 CGEDMO COc1ccc([C@@H]2CC[N@H+](Cc3nc(C#N)cs3)C2)cc1 ZINC000356195848 393376591 /nfs/dbraw/zinc/37/65/91/393376591.db2.gz QRIMFXRYGZLAEL-CYBMUJFWSA-N 1 1 299.399 3.013 20 30 CGEDMO COc1ccc([C@@H]2CC[N@@H+](Cc3nc(C#N)cs3)C2)cc1 ZINC000356195848 393376597 /nfs/dbraw/zinc/37/65/97/393376597.db2.gz QRIMFXRYGZLAEL-CYBMUJFWSA-N 1 1 299.399 3.013 20 30 CGEDMO CCOC(=O)CC(C)(C)[N@@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000488118827 393461006 /nfs/dbraw/zinc/46/10/06/393461006.db2.gz RNKFUDVKQZTQGM-UHFFFAOYSA-N 1 1 288.391 3.030 20 30 CGEDMO Cc1cc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)ncn1 ZINC000428450020 393462592 /nfs/dbraw/zinc/46/25/92/393462592.db2.gz XULPSSLRLBZEIP-UHFFFAOYSA-N 1 1 294.402 3.315 20 30 CGEDMO CCC1CCC([N@@H+](CCO)Cc2ccc(C#N)cc2)CC1 ZINC000488201566 393470028 /nfs/dbraw/zinc/47/00/28/393470028.db2.gz SFCPFFKTKFEJCH-UHFFFAOYSA-N 1 1 286.419 3.321 20 30 CGEDMO Cc1cccc2c1C[N@@H+](CCOc1cccc(C#N)c1)CC2 ZINC000429581468 393488686 /nfs/dbraw/zinc/48/86/86/393488686.db2.gz ZCYADHDCJGONEH-UHFFFAOYSA-N 1 1 292.382 3.304 20 30 CGEDMO C=C(C)C[N@@H+](CCc1cncc(C)n1)Cc1ccccc1 ZINC000649595387 393506213 /nfs/dbraw/zinc/50/62/13/393506213.db2.gz JHRXJXUAISFVSY-UHFFFAOYSA-N 1 1 281.403 3.406 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@]3(CCCOC3)C2)ccc1C#N ZINC000488438251 393512709 /nfs/dbraw/zinc/51/27/09/393512709.db2.gz XIOQWSNUCYBVHN-SFHVURJKSA-N 1 1 284.403 3.259 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000359541949 393550186 /nfs/dbraw/zinc/55/01/86/393550186.db2.gz DZNAVPWDECDULU-RYRKJORJSA-N 1 1 290.451 3.088 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)C1(C)CCCC1 ZINC000489873028 393619284 /nfs/dbraw/zinc/61/92/84/393619284.db2.gz GTJFOXSBRMUMIJ-UHFFFAOYSA-N 1 1 285.391 3.151 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1sccc1C#N)C1(C)CCCC1 ZINC000489884033 393619889 /nfs/dbraw/zinc/61/98/89/393619889.db2.gz LNJIIMASSAKPPL-UHFFFAOYSA-N 1 1 291.420 3.213 20 30 CGEDMO CC[N@@H+](Cc1cnc2ccc(C#N)cn12)CC(C)(C)C ZINC000361007608 393639065 /nfs/dbraw/zinc/63/90/65/393639065.db2.gz AENIQWSSTLMBRS-UHFFFAOYSA-N 1 1 270.380 3.074 20 30 CGEDMO CC1(C)CCC[N@@H+](CCNc2ccc(C#N)cc2F)C1 ZINC000443955225 393778392 /nfs/dbraw/zinc/77/83/92/393778392.db2.gz FVWGGBDHXSPAKM-UHFFFAOYSA-N 1 1 275.371 3.231 20 30 CGEDMO Cc1ccn2cc(C[NH2+]Cc3ccc(C#N)c(C)c3)nc2c1 ZINC000443969740 393779601 /nfs/dbraw/zinc/77/96/01/393779601.db2.gz SLLNXYFERZLLTI-UHFFFAOYSA-N 1 1 290.370 3.113 20 30 CGEDMO Cc1cc(CN[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)ccc1C#N ZINC000443970254 393779659 /nfs/dbraw/zinc/77/96/59/393779659.db2.gz RDJOYGCILWUVDC-ZBFHGGJFSA-N 1 1 285.435 3.077 20 30 CGEDMO Cc1cc(CN[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)ccc1C#N ZINC000443970254 393779660 /nfs/dbraw/zinc/77/96/60/393779660.db2.gz RDJOYGCILWUVDC-ZBFHGGJFSA-N 1 1 285.435 3.077 20 30 CGEDMO CO[C@@H]1C[C@@H]([N@@H+](C)CCCC(C)(C)C#N)C12CCC2 ZINC000451839634 394048415 /nfs/dbraw/zinc/04/84/15/394048415.db2.gz DFZXDNRGFSJHDW-ZIAGYGMSSA-N 1 1 264.413 3.206 20 30 CGEDMO CCC1C[NH+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000453617147 394260292 /nfs/dbraw/zinc/26/02/92/394260292.db2.gz QSWMQRVNIBZWSA-UHFFFAOYSA-N 1 1 268.282 3.419 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000668078584 542966178 /nfs/dbraw/zinc/96/61/78/542966178.db2.gz PIWKGTNGZMNPDY-AEFFLSMTSA-N 1 1 287.403 3.395 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)nn2C)C1 ZINC000668494404 543020216 /nfs/dbraw/zinc/02/02/16/543020216.db2.gz ZDSNBZPHDLFBQI-LLVKDONJSA-N 1 1 287.329 3.227 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)nn2C)C1 ZINC000668494404 543020218 /nfs/dbraw/zinc/02/02/18/543020218.db2.gz ZDSNBZPHDLFBQI-LLVKDONJSA-N 1 1 287.329 3.227 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2ccc3c(c2)ncn3C)C1 ZINC000668493716 543020787 /nfs/dbraw/zinc/02/07/87/543020787.db2.gz RASADTTXRBQMHT-AWEZNQCLSA-N 1 1 269.392 3.361 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CCC[C@@](C)(c2ccccc2)CC1 ZINC000671704035 543178463 /nfs/dbraw/zinc/17/84/63/543178463.db2.gz JBVFIOKZKWBDBO-ZWKOTPCHSA-N 1 1 273.420 3.367 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC000671715543 543180001 /nfs/dbraw/zinc/18/00/01/543180001.db2.gz IDHWDJSCTOVCKT-NEPJUHHUSA-N 1 1 265.319 3.384 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC000671715543 543180003 /nfs/dbraw/zinc/18/00/03/543180003.db2.gz IDHWDJSCTOVCKT-NEPJUHHUSA-N 1 1 265.319 3.384 20 30 CGEDMO CCn1cc(C[N@H+](CC#Cc2ccc(F)cc2)C(C)C)cn1 ZINC000649813213 397726605 /nfs/dbraw/zinc/72/66/05/397726605.db2.gz BMTJMRKOVMULNK-UHFFFAOYSA-N 1 1 299.393 3.304 20 30 CGEDMO CCn1cc(C[N@@H+](CC#Cc2ccc(F)cc2)C(C)C)cn1 ZINC000649813213 397726606 /nfs/dbraw/zinc/72/66/06/397726606.db2.gz BMTJMRKOVMULNK-UHFFFAOYSA-N 1 1 299.393 3.304 20 30 CGEDMO CCC[N@@H+](CCCCC#N)CC(=O)Nc1ccccc1C ZINC000198673408 397664502 /nfs/dbraw/zinc/66/45/02/397664502.db2.gz HDASKZMNSPGREV-UHFFFAOYSA-N 1 1 287.407 3.339 20 30 CGEDMO COc1ccc(C[N@@H+](C)CCCC#N)cc1Cl ZINC000258842231 397669849 /nfs/dbraw/zinc/66/98/49/397669849.db2.gz CIWBZGLQLJFMRP-UHFFFAOYSA-N 1 1 252.745 3.084 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](Oc2ccccc2OC)C1 ZINC000286271649 397671527 /nfs/dbraw/zinc/67/15/27/397671527.db2.gz BXBCBMPVCNUNRQ-AWEZNQCLSA-N 1 1 261.365 3.115 20 30 CGEDMO FC1(F)C[C@]12CC[N@@H+](CC#Cc1ccc(Cl)cc1)C2 ZINC000649904531 397750591 /nfs/dbraw/zinc/75/05/91/397750591.db2.gz HNKYAZQKAAGZNT-AWEZNQCLSA-N 1 1 281.733 3.423 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000735492564 572726149 /nfs/dbraw/zinc/72/61/49/572726149.db2.gz JLVCBACMJSUGNU-OKILXGFUSA-N 1 1 282.428 3.282 20 30 CGEDMO Cc1ccc(NC[C@@H](C)[N@@H+](C)Cc2ccccc2)nc1C#N ZINC000302603189 292161074 /nfs/dbraw/zinc/16/10/74/292161074.db2.gz CQCMHDULTQIRCK-OAHLLOKOSA-N 1 1 294.402 3.194 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+]1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000677048484 543427556 /nfs/dbraw/zinc/42/75/56/543427556.db2.gz YUTCZBFWBBUXIS-ZOBUZTSGSA-N 1 1 259.393 3.110 20 30 CGEDMO CC[N@@H+](CC#CCOC)[C@@H](C)c1cc2ccccc2o1 ZINC000677478302 543450617 /nfs/dbraw/zinc/45/06/17/543450617.db2.gz UMDMTTWXPGKGLF-AWEZNQCLSA-N 1 1 271.360 3.466 20 30 CGEDMO COCC#CC[N@H+]1CCC[C@H]1c1ccc(C)c(C)c1 ZINC000677817811 543467227 /nfs/dbraw/zinc/46/72/27/543467227.db2.gz BPOWEXCBLIWEKS-KRWDZBQOSA-N 1 1 257.377 3.090 20 30 CGEDMO COCC#CC[N@H+]1CCCCC[C@H]1c1ccccc1 ZINC000677818648 543467920 /nfs/dbraw/zinc/46/79/20/543467920.db2.gz SJUOXDQDRJOBEJ-KRWDZBQOSA-N 1 1 257.377 3.254 20 30 CGEDMO COCC#CC[N@H+]1CCC[C@H]1c1cc(C)ccc1C ZINC000677820627 543467950 /nfs/dbraw/zinc/46/79/50/543467950.db2.gz RFZPLJSWJATZIF-KRWDZBQOSA-N 1 1 257.377 3.090 20 30 CGEDMO COCC#CC[N@@H+](Cc1ccc(F)cc1)C(C)(C)C ZINC000677820447 543468297 /nfs/dbraw/zinc/46/82/97/543468297.db2.gz NUKPXLOMHZTHMQ-UHFFFAOYSA-N 1 1 263.356 3.076 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CCCC2(C1)CCCCCC2 ZINC000678220503 543494641 /nfs/dbraw/zinc/49/46/41/543494641.db2.gz WICBSEUDOUFWMU-HNNXBMFYSA-N 1 1 251.414 3.360 20 30 CGEDMO CO[C@]1(C)CCC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000279299480 286161424 /nfs/dbraw/zinc/16/14/24/286161424.db2.gz LZRQSYWGZSNHMX-CZUORRHYSA-N 1 1 258.365 3.120 20 30 CGEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNc2ncc(C#N)cc2F)C1 ZINC000413114986 533676525 /nfs/dbraw/zinc/67/65/25/533676525.db2.gz MYSKFNRGPBGYTC-GFCCVEGCSA-N 1 1 290.386 3.015 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCS1 ZINC000076065709 165112316 /nfs/dbraw/zinc/11/23/16/165112316.db2.gz VZWKYUMKFIMLFA-HNNXBMFYSA-N 1 1 260.406 3.132 20 30 CGEDMO COc1cc(C#N)ccc1OCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000077281542 165121246 /nfs/dbraw/zinc/12/12/46/165121246.db2.gz CITXXUGTIDXSNC-OKILXGFUSA-N 1 1 288.391 3.209 20 30 CGEDMO COc1ccccc1C[C@@H]1CCC[N@H+]1Cc1ccc(C#N)o1 ZINC000092660830 165305743 /nfs/dbraw/zinc/30/57/43/165305743.db2.gz AZMRQGJMSMXXSK-HNNXBMFYSA-N 1 1 296.370 3.367 20 30 CGEDMO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2cc(C#N)cs2)C1(C)C ZINC000093871903 165339727 /nfs/dbraw/zinc/33/97/27/165339727.db2.gz RVQHWJHXHUITGZ-DZGCQCFKSA-N 1 1 278.421 3.255 20 30 CGEDMO C[N@H+](Cc1cccc(F)c1)Cc1ccc(C#N)cc1F ZINC000020266600 171123472 /nfs/dbraw/zinc/12/34/72/171123472.db2.gz UYTLWIWCLQKZMN-UHFFFAOYSA-N 1 1 272.298 3.468 20 30 CGEDMO C[N@@H+](Cc1cccc(F)c1)Cc1ccc(C#N)cc1F ZINC000020266600 171123475 /nfs/dbraw/zinc/12/34/75/171123475.db2.gz UYTLWIWCLQKZMN-UHFFFAOYSA-N 1 1 272.298 3.468 20 30 CGEDMO C=CCOc1ccc(CNCCC[NH+]2CCCCC2)cc1 ZINC000020549698 171246796 /nfs/dbraw/zinc/24/67/96/171246796.db2.gz WORYNRVGPXJUJU-UHFFFAOYSA-N 1 1 288.435 3.217 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1cccc(C)c1C ZINC000048617377 416457041 /nfs/dbraw/zinc/45/70/41/416457041.db2.gz MCSJZWOWBJZHSM-UHFFFAOYSA-N 1 1 260.381 3.140 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1cccc(C)c1C ZINC000048617377 416457046 /nfs/dbraw/zinc/45/70/46/416457046.db2.gz MCSJZWOWBJZHSM-UHFFFAOYSA-N 1 1 260.381 3.140 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000679226519 543604420 /nfs/dbraw/zinc/60/44/20/543604420.db2.gz OMQYJKOCGOEBBN-YOEHRIQHSA-N 1 1 277.383 3.332 20 30 CGEDMO C=CCc1cc(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)cc(OC)c1O ZINC000679361437 543628412 /nfs/dbraw/zinc/62/84/12/543628412.db2.gz YKNTWQSBLGOGAF-WFASDCNBSA-N 1 1 293.382 3.309 20 30 CGEDMO C=CCc1cc(C[N@H+]2CC[C@H](C)[C@@H](F)C2)cc(OC)c1O ZINC000679361437 543628415 /nfs/dbraw/zinc/62/84/15/543628415.db2.gz YKNTWQSBLGOGAF-WFASDCNBSA-N 1 1 293.382 3.309 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000680113973 543685915 /nfs/dbraw/zinc/68/59/15/543685915.db2.gz ZUBKOISLTMWPIF-NVXWUHKLSA-N 1 1 259.393 3.030 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000679739437 543658249 /nfs/dbraw/zinc/65/82/49/543658249.db2.gz DTEMFNIUXZUJPB-AWEZNQCLSA-N 1 1 297.345 3.455 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H](OC(F)F)C2)cc1 ZINC000679738931 543658820 /nfs/dbraw/zinc/65/88/20/543658820.db2.gz GUDOWKWTYULPIV-HNNXBMFYSA-N 1 1 297.345 3.455 20 30 CGEDMO Cc1ccn2c(C[N@@H+](C)Cc3cccc(C#N)c3)cnc2c1 ZINC000130761393 287362585 /nfs/dbraw/zinc/36/25/85/287362585.db2.gz DFNUJYZGTUHXJA-UHFFFAOYSA-N 1 1 290.370 3.146 20 30 CGEDMO Cc1ccn2c(C[N@H+](C)Cc3cccc(C#N)c3)cnc2c1 ZINC000130761393 287362586 /nfs/dbraw/zinc/36/25/86/287362586.db2.gz DFNUJYZGTUHXJA-UHFFFAOYSA-N 1 1 290.370 3.146 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)N[C@H](C)CC ZINC000411142420 262680834 /nfs/dbraw/zinc/68/08/34/262680834.db2.gz WPFMDXNANVZWET-OLZOCXBDSA-N 1 1 280.437 3.039 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)N[C@H](C)CC ZINC000411142420 262680835 /nfs/dbraw/zinc/68/08/35/262680835.db2.gz WPFMDXNANVZWET-OLZOCXBDSA-N 1 1 280.437 3.039 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccn(-c2cccc(F)c2)n1 ZINC000682435580 543845450 /nfs/dbraw/zinc/84/54/50/543845450.db2.gz ZLKBXVVFBXAHKW-UHFFFAOYSA-N 1 1 259.328 3.019 20 30 CGEDMO C=CC[C@@H]1[N@@H+](CCCc2cnn(C)c2)CCCC1(C)C ZINC000683527884 543920520 /nfs/dbraw/zinc/92/05/20/543920520.db2.gz PDKXNMGFYOWUTP-INIZCTEOSA-N 1 1 275.440 3.419 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@@H](C)Cc1ccccc1C ZINC000683678549 543931034 /nfs/dbraw/zinc/93/10/34/543931034.db2.gz OTYJJYUILOXEQS-RDJZCZTQSA-N 1 1 261.409 3.185 20 30 CGEDMO COCC#CC[N@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000684620978 544020773 /nfs/dbraw/zinc/02/07/73/544020773.db2.gz RNDCAJHQXNKDKM-UHFFFAOYSA-N 1 1 275.779 3.079 20 30 CGEDMO COCC#CC[N@@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000684620978 544020774 /nfs/dbraw/zinc/02/07/74/544020774.db2.gz RNDCAJHQXNKDKM-UHFFFAOYSA-N 1 1 275.779 3.079 20 30 CGEDMO Cc1cccc(NCc2nc(-c3cccc(C#N)c3)c[nH]2)[nH+]1 ZINC000354846340 227162477 /nfs/dbraw/zinc/16/24/77/227162477.db2.gz JRTNRUFXBFPSGS-UHFFFAOYSA-N 1 1 289.342 3.264 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)Cc1cc(C)nc(C)n1 ZINC000659822136 419000489 /nfs/dbraw/zinc/00/04/89/419000489.db2.gz JGDQOICQNJPKCN-UHFFFAOYSA-N 1 1 267.376 3.282 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cc(C)nc(C)n1 ZINC000659822136 419000491 /nfs/dbraw/zinc/00/04/91/419000491.db2.gz JGDQOICQNJPKCN-UHFFFAOYSA-N 1 1 267.376 3.282 20 30 CGEDMO C=CCCn1cc(C[N@H+]2CCCC[C@@H]2C2CCC2)nn1 ZINC000653777260 419083202 /nfs/dbraw/zinc/08/32/02/419083202.db2.gz YYNBIQVNVSAHOV-MRXNPFEDSA-N 1 1 274.412 3.009 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CCC[C@H]2[C@H](C)CCC)nn1 ZINC000653570900 419051831 /nfs/dbraw/zinc/05/18/31/419051831.db2.gz JAXMKJTTZJNAKH-ZBFHGGJFSA-N 1 1 276.428 3.255 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@@H](CC)c2ccc(C)cc2)nn1 ZINC000653598016 419057881 /nfs/dbraw/zinc/05/78/81/419057881.db2.gz JFBVENHRMJWMKG-KRWDZBQOSA-N 1 1 284.407 3.404 20 30 CGEDMO CC(=O)c1ccc(C#N)c(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000656224827 419154408 /nfs/dbraw/zinc/15/44/08/419154408.db2.gz AAZPTFLNKJGCNK-WMZOPIPTSA-N 1 1 297.402 3.190 20 30 CGEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H]1COC(C)(C)C1 ZINC000660540486 419159790 /nfs/dbraw/zinc/15/97/90/419159790.db2.gz RDESFYPMOXGDFY-INIZCTEOSA-N 1 1 291.439 3.410 20 30 CGEDMO C=CC[N@@H+](Cc1cc(C)sc1C)[C@@H](C)COC ZINC000661240878 419243074 /nfs/dbraw/zinc/24/30/74/419243074.db2.gz SNSZOSQJHNAGOI-NSHDSACASA-N 1 1 253.411 3.388 20 30 CGEDMO C=CC[N@@H+](C[C@@H](C)c1ccc(OC)cc1)[C@H](C)COC ZINC000661240773 419243607 /nfs/dbraw/zinc/24/36/07/419243607.db2.gz TZSBVZPZPLFCPR-HUUCEWRRSA-N 1 1 277.408 3.322 20 30 CGEDMO C=CC[N@@H+](Cc1cc(C)ccc1F)[C@H](C)COC ZINC000661241312 419244301 /nfs/dbraw/zinc/24/43/01/419244301.db2.gz VQAVWTROYCYCOY-CYBMUJFWSA-N 1 1 251.345 3.157 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2)C1 ZINC000661378751 419256183 /nfs/dbraw/zinc/25/61/83/419256183.db2.gz LQMYAMSZMZIUMB-HNNXBMFYSA-N 1 1 272.392 3.303 20 30 CGEDMO C=CC[N@@H+](CC(=O)NC1CCCCCC1)C(C)(C)C ZINC000661755015 419295098 /nfs/dbraw/zinc/29/50/98/419295098.db2.gz GOHVKOXBMVBVHZ-UHFFFAOYSA-N 1 1 266.429 3.112 20 30 CGEDMO C=CC[N@H+](CCC(=O)Nc1cccc(F)c1)C(C)(C)C ZINC000661755792 419295133 /nfs/dbraw/zinc/29/51/33/419295133.db2.gz YVZCHIDCKHXUQW-UHFFFAOYSA-N 1 1 278.371 3.441 20 30 CGEDMO C=CC[N@@H+](Cc1csc(COC)n1)C(C)(C)C ZINC000661756627 419295340 /nfs/dbraw/zinc/29/53/40/419295340.db2.gz TXISLVPQGIZQQH-UHFFFAOYSA-N 1 1 254.399 3.076 20 30 CGEDMO C=CC[N@H+](Cc1csc(COC)n1)C(C)(C)C ZINC000661756627 419295341 /nfs/dbraw/zinc/29/53/41/419295341.db2.gz TXISLVPQGIZQQH-UHFFFAOYSA-N 1 1 254.399 3.076 20 30 CGEDMO Cc1cccc(NCCNC(=O)[C@@H]2CC23CCCC3)[nH+]1 ZINC000330022995 228018909 /nfs/dbraw/zinc/01/89/09/228018909.db2.gz HZKOMEUIXSDEHA-ZDUSSCGKSA-N 1 1 273.380 3.339 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)Nc1ccccc1 ZINC000662079314 419333709 /nfs/dbraw/zinc/33/37/09/419333709.db2.gz JRUHGJLGMVBCEH-BMFZPTHFSA-N 1 1 270.376 3.197 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCCCn1cccn1 ZINC000662084202 419334503 /nfs/dbraw/zinc/33/45/03/419334503.db2.gz ODCGERSAXJFJPR-IYBDPMFKSA-N 1 1 259.397 3.236 20 30 CGEDMO C=C(C)C[NH+]1CCC(NCc2ccc(F)c(F)c2)CC1 ZINC000106246165 260095377 /nfs/dbraw/zinc/09/53/77/260095377.db2.gz WCCQJHZRVOYWJA-UHFFFAOYSA-N 1 1 280.362 3.095 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000363467308 260263480 /nfs/dbraw/zinc/26/34/80/260263480.db2.gz ISMUCHYWVVGGFF-HNNXBMFYSA-N 1 1 258.365 3.080 20 30 CGEDMO C[N@@H+](CCCSCC#N)[C@H]1CCc2ccccc2C1 ZINC000080633090 260317019 /nfs/dbraw/zinc/31/70/19/260317019.db2.gz YVMAJBUPIBHQAS-INIZCTEOSA-N 1 1 274.433 3.123 20 30 CGEDMO C[N@@H+](CCC#N)CCCOc1ccc2ccccc2c1 ZINC000083217876 260347264 /nfs/dbraw/zinc/34/72/64/260347264.db2.gz RKPBJGJOTNSYJI-UHFFFAOYSA-N 1 1 268.360 3.454 20 30 CGEDMO C[N@H+](CCC#N)CCCOc1ccc2ccccc2c1 ZINC000083217876 260347266 /nfs/dbraw/zinc/34/72/66/260347266.db2.gz RKPBJGJOTNSYJI-UHFFFAOYSA-N 1 1 268.360 3.454 20 30 CGEDMO COc1cc(C[NH2+]CC(C)(C)C#N)c(SC)cc1OC ZINC000168925183 260912608 /nfs/dbraw/zinc/91/26/08/260912608.db2.gz OAPDLDPCAXZMRC-UHFFFAOYSA-N 1 1 294.420 3.065 20 30 CGEDMO C#CC[N@@H+](Cc1nccn1CC(F)(F)F)C1CCCCC1 ZINC000490839157 261221544 /nfs/dbraw/zinc/22/15/44/261221544.db2.gz GYLXVXZZELMSKQ-UHFFFAOYSA-N 1 1 299.340 3.213 20 30 CGEDMO C#CC[N@H+](Cc1nccn1CC(F)(F)F)C1CCCCC1 ZINC000490839157 261221545 /nfs/dbraw/zinc/22/15/45/261221545.db2.gz GYLXVXZZELMSKQ-UHFFFAOYSA-N 1 1 299.340 3.213 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000184080582 262007139 /nfs/dbraw/zinc/00/71/39/262007139.db2.gz UEDXIHUJOBYOCY-SNVBAGLBSA-N 1 1 272.270 3.209 20 30 CGEDMO CCCOc1ccc(C[NH2+][C@@H](CC)CC#N)cc1OC ZINC000184089027 262008174 /nfs/dbraw/zinc/00/81/74/262008174.db2.gz WSPOQFYUCVUWET-AWEZNQCLSA-N 1 1 276.380 3.266 20 30 CGEDMO CCOc1cc(C[NH2+][C@@H](CC)CC#N)ccc1OC(F)F ZINC000054182169 262260188 /nfs/dbraw/zinc/26/01/88/262260188.db2.gz BHVWDHGKFWPPBD-LBPRGKRZSA-N 1 1 298.333 3.469 20 30 CGEDMO CC[C@@H](CC#N)NC1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000365043759 262268040 /nfs/dbraw/zinc/26/80/40/262268040.db2.gz LLEUJYYVJFNHES-INIZCTEOSA-N 1 1 289.398 3.072 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000494956899 262273455 /nfs/dbraw/zinc/27/34/55/262273455.db2.gz URTZWKQIYQCVIU-UONOGXRCSA-N 1 1 282.428 3.188 20 30 CGEDMO CC[C@H]1C[N@@H+](CCCCC(C)(C)C#N)C[C@@H](C)O1 ZINC000336783642 262394883 /nfs/dbraw/zinc/39/48/83/262394883.db2.gz DARXLBKUYKMENN-KGLIPLIRSA-N 1 1 252.402 3.206 20 30 CGEDMO C[C@@H](CCO)[N@@H+](CCC(C)(C)C#N)Cc1ccccc1 ZINC000272065561 263001865 /nfs/dbraw/zinc/00/18/65/263001865.db2.gz XUMCLPUJEMUIAL-HNNXBMFYSA-N 1 1 274.408 3.199 20 30 CGEDMO CCN(CC)c1ncc(C[NH+]2CCC(C)(C#N)CC2)s1 ZINC000272520412 263005641 /nfs/dbraw/zinc/00/56/41/263005641.db2.gz KZARHRZVZZFTEC-UHFFFAOYSA-N 1 1 292.452 3.115 20 30 CGEDMO Cc1cccc([C@@H]2CC[N@@H+](C[C@@H](C#N)CCC#N)C2)c1 ZINC000273058594 263011928 /nfs/dbraw/zinc/01/19/28/263011928.db2.gz HHSNZBOFWQWITL-NVXWUHKLSA-N 1 1 267.376 3.228 20 30 CGEDMO C[C@@H](CCC#N)[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000276280730 263035693 /nfs/dbraw/zinc/03/56/93/263035693.db2.gz FUYNTQBMACDDKR-LBPRGKRZSA-N 1 1 266.772 3.343 20 30 CGEDMO N#CCOc1ccc(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)cc1 ZINC000278939113 263051913 /nfs/dbraw/zinc/05/19/13/263051913.db2.gz XXSSJFLUCJFSQE-CYBMUJFWSA-N 1 1 298.308 3.363 20 30 CGEDMO COc1ccc2c(c1)C1(CC1)C[N@H+](CCCCC#N)C2 ZINC000289498236 263110618 /nfs/dbraw/zinc/11/06/18/263110618.db2.gz JRVCVDJEZNOXCT-UHFFFAOYSA-N 1 1 270.376 3.236 20 30 CGEDMO CC[N@H+](Cc1ccccc1C(C)(C)C#N)C[C@@H](C)OC ZINC000291343591 263121418 /nfs/dbraw/zinc/12/14/18/263121418.db2.gz WZTWBJLKZYEUQV-CQSZACIVSA-N 1 1 274.408 3.345 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)C1 ZINC000293209819 263138840 /nfs/dbraw/zinc/13/88/40/263138840.db2.gz UWJLFMZOBRABEL-HLLBOEOZSA-N 1 1 272.367 3.382 20 30 CGEDMO CC[N@@H+](CCOCCC#N)Cc1ccc(Cl)s1 ZINC000293454568 263141004 /nfs/dbraw/zinc/14/10/04/263141004.db2.gz KUDZSKHXXPENKW-UHFFFAOYSA-N 1 1 272.801 3.154 20 30 CGEDMO N#CCCOCC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000293590496 263143810 /nfs/dbraw/zinc/14/38/10/263143810.db2.gz OGBOZYAGKVOGRP-KZNAEPCWSA-N 1 1 284.403 3.185 20 30 CGEDMO COc1ccc2c(c1)C1(CC1)C[N@@H+]([C@H](C)CCC#N)C2 ZINC000298035528 263214155 /nfs/dbraw/zinc/21/41/55/263214155.db2.gz CRGQSGHPFZWGIE-CYBMUJFWSA-N 1 1 270.376 3.235 20 30 CGEDMO COc1ccc2c(c1)C1(CC1)C[N@@H+]([C@@H](C)CCC#N)C2 ZINC000298035532 263214173 /nfs/dbraw/zinc/21/41/73/263214173.db2.gz CRGQSGHPFZWGIE-ZDUSSCGKSA-N 1 1 270.376 3.235 20 30 CGEDMO C[C@@H](CCC#N)[N@@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000299452762 263242270 /nfs/dbraw/zinc/24/22/70/263242270.db2.gz ZIDOXOYNOQFYSE-ZENOOKHLSA-N 1 1 276.355 3.280 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000299452762 263242272 /nfs/dbraw/zinc/24/22/72/263242272.db2.gz ZIDOXOYNOQFYSE-ZENOOKHLSA-N 1 1 276.355 3.280 20 30 CGEDMO C=CCC1(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)CCCC1 ZINC000453390526 263261251 /nfs/dbraw/zinc/26/12/51/263261251.db2.gz YEQCONWUOPMUHJ-LSDHHAIUSA-N 1 1 250.430 3.195 20 30 CGEDMO COCC1(C#N)CC[NH+](Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000342820158 263525433 /nfs/dbraw/zinc/52/54/33/263525433.db2.gz GYBGTVBUNXRSMR-ZFWWWQNUSA-N 1 1 288.391 3.155 20 30 CGEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1c(C)noc1C(C)C ZINC000330675313 264014749 /nfs/dbraw/zinc/01/47/49/264014749.db2.gz RTMRBBQXXBZZRQ-ZDUSSCGKSA-N 1 1 293.411 3.285 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1ccc(F)cc1F ZINC000126771738 264224485 /nfs/dbraw/zinc/22/44/85/264224485.db2.gz ZUVYUUOFDKLKAQ-GFCCVEGCSA-N 1 1 296.361 3.040 20 30 CGEDMO C=CC[N@@H+](CC)CC(=O)Nc1ccccc1C(F)(F)F ZINC000072802839 264272149 /nfs/dbraw/zinc/27/21/49/264272149.db2.gz BRAGAVDVPYPOPK-UHFFFAOYSA-N 1 1 286.297 3.152 20 30 CGEDMO C=CC[N@H+](CC)CC(=O)Nc1ccccc1C(F)(F)F ZINC000072802839 264272152 /nfs/dbraw/zinc/27/21/52/264272152.db2.gz BRAGAVDVPYPOPK-UHFFFAOYSA-N 1 1 286.297 3.152 20 30 CGEDMO C=CC[N@H+](CCCCOC)Cc1ccc(OC)cc1 ZINC000074351065 264305079 /nfs/dbraw/zinc/30/50/79/264305079.db2.gz YZIDFSQVCGYLIA-UHFFFAOYSA-N 1 1 263.381 3.110 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000132360785 264385977 /nfs/dbraw/zinc/38/59/77/264385977.db2.gz IBYPTHPDYAXMLT-CQSZACIVSA-N 1 1 259.349 3.171 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccnc(Br)c1 ZINC000293475561 264953559 /nfs/dbraw/zinc/95/35/59/264953559.db2.gz MBYCNAQNNRTZLR-UHFFFAOYSA-N 1 1 269.186 3.242 20 30 CGEDMO N#Cc1ccc(C[NH+]2CCC(CC(F)(F)F)CC2)nc1 ZINC000521639257 270103119 /nfs/dbraw/zinc/10/31/19/270103119.db2.gz ATJBCNSHPYLRKH-UHFFFAOYSA-N 1 1 283.297 3.118 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CC[C@@H](C#N)C1 ZINC000297775791 266050345 /nfs/dbraw/zinc/05/03/45/266050345.db2.gz GJAIQYKYAWUTRC-SJORKVTESA-N 1 1 267.376 3.463 20 30 CGEDMO COC[C@H]1CCC[N@H+]1Cc1c(C#N)ccc2ccccc21 ZINC000527532994 270128695 /nfs/dbraw/zinc/12/86/95/270128695.db2.gz GEBORTJOOBHFGA-MRXNPFEDSA-N 1 1 280.371 3.322 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CC1)c1ccc2ncsc2c1 ZINC000362572374 267009348 /nfs/dbraw/zinc/00/93/48/267009348.db2.gz HQIXAOVMARNONP-JTQLQIEISA-N 1 1 257.362 3.251 20 30 CGEDMO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc2ncsc2c1 ZINC000362572913 267009390 /nfs/dbraw/zinc/00/93/90/267009390.db2.gz NGCXLXUFCZRLBE-RYUDHWBXSA-N 1 1 284.388 3.390 20 30 CGEDMO Cc1ccc(N2CCC[N@@H+](CCCCC#N)CC2)cc1 ZINC000368874069 267210742 /nfs/dbraw/zinc/21/07/42/267210742.db2.gz CGZWIJFZXNCBBG-UHFFFAOYSA-N 1 1 271.408 3.201 20 30 CGEDMO C[C@H]1C[C@H](c2cccnc2)[N@@H+](CCC(C)(C)C#N)C1 ZINC000376550411 267993582 /nfs/dbraw/zinc/99/35/82/267993582.db2.gz DUIJLVOAHZAFHS-DZGCQCFKSA-N 1 1 257.381 3.404 20 30 CGEDMO N#Cc1ccc(NC[C@@H]2CC[N@H+]2C2CCCC2)c(F)c1 ZINC000528212971 268248893 /nfs/dbraw/zinc/24/88/93/268248893.db2.gz ZEGJMCUVFUIWGN-AWEZNQCLSA-N 1 1 273.355 3.126 20 30 CGEDMO N#Cc1csc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000186446744 268320790 /nfs/dbraw/zinc/32/07/90/268320790.db2.gz HEZQLACCFUJAKD-QGZVFWFLSA-N 1 1 296.395 3.251 20 30 CGEDMO COC[C@]1(C)CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000296571965 274052881 /nfs/dbraw/zinc/05/28/81/274052881.db2.gz DETSGTMHZJGGEZ-MRXNPFEDSA-N 1 1 277.795 3.050 20 30 CGEDMO C[C@@H](CCN[C@H]1CCc2ccc(C#N)cc21)[NH+]1CCCCC1 ZINC000353675898 274209896 /nfs/dbraw/zinc/20/98/96/274209896.db2.gz INIZZYUASBCRPS-KXBFYZLASA-N 1 1 297.446 3.400 20 30 CGEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1ccc(C#N)cc1 ZINC000341104667 274296287 /nfs/dbraw/zinc/29/62/87/274296287.db2.gz OPWYERFFDDRDKH-OKILXGFUSA-N 1 1 257.381 3.233 20 30 CGEDMO N#Cc1cc(Cl)ccc1N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000264963054 274919319 /nfs/dbraw/zinc/91/93/19/274919319.db2.gz XMWJDNYVVOCZRO-UHFFFAOYSA-N 1 1 286.766 3.319 20 30 CGEDMO CCC[N@H+](Cc1cc(C#N)ccc1OC)CC(C)C ZINC000336815063 276001252 /nfs/dbraw/zinc/00/12/52/276001252.db2.gz YWHDXDCMUNROGI-UHFFFAOYSA-N 1 1 260.381 3.435 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000334656063 278257276 /nfs/dbraw/zinc/25/72/76/278257276.db2.gz SMGGQFWVFLKRIU-AWEZNQCLSA-N 1 1 252.427 3.145 20 30 CGEDMO C[C@@]1(O)CCC[N@@H+](CCC2(C#N)CCCCC2)CC1 ZINC000334645759 279173211 /nfs/dbraw/zinc/17/32/11/279173211.db2.gz KFRYNPWCLOUIPP-OAHLLOKOSA-N 1 1 264.413 3.087 20 30 CGEDMO Cc1cc(N[C@H]2CCCc3cc(C#N)ccc32)nc(C)[nH+]1 ZINC000419012587 280632177 /nfs/dbraw/zinc/63/21/77/280632177.db2.gz FOYFUNQPOIQCFN-INIZCTEOSA-N 1 1 278.359 3.455 20 30 CGEDMO C[N@H+]1CCN(c2cccc(F)c2C#N)[C@@H](c2ccccc2)C1 ZINC000301137311 290058052 /nfs/dbraw/zinc/05/80/52/290058052.db2.gz BXKZBAKWIXXUDA-GOSISDBHSA-N 1 1 295.361 3.190 20 30 CGEDMO C=CC[N@@H+](C[C@H](C#N)CCC#N)CC1CCCCC1 ZINC000264906622 328163033 /nfs/dbraw/zinc/16/30/33/328163033.db2.gz XREQQNZCAUISJO-INIZCTEOSA-N 1 1 259.397 3.498 20 30 CGEDMO C[N@@H+](CCc1cccs1)Cc1ccc(OCC#N)cc1 ZINC000266600943 328169697 /nfs/dbraw/zinc/16/96/97/328169697.db2.gz QSYJABBIEHSFBI-UHFFFAOYSA-N 1 1 286.400 3.325 20 30 CGEDMO CC(C)[N@H+](CC(=O)Nc1nncs1)Cc1ccccc1 ZINC000048561006 328314881 /nfs/dbraw/zinc/31/48/81/328314881.db2.gz YWQQEGIDDKQFOC-UHFFFAOYSA-N 1 1 290.392 3.037 20 30 CGEDMO CC(C)[N@@H+](CC(=O)Nc1nncs1)Cc1ccccc1 ZINC000048561006 328314883 /nfs/dbraw/zinc/31/48/83/328314883.db2.gz YWQQEGIDDKQFOC-UHFFFAOYSA-N 1 1 290.392 3.037 20 30 CGEDMO CCC[C@@H]1[C@H](C)CCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000564211507 322023270 /nfs/dbraw/zinc/02/32/70/322023270.db2.gz KWKBRNGTWBKWOJ-CZUORRHYSA-N 1 1 297.406 3.002 20 30 CGEDMO N#Cc1ccc(C[N@H+](CCc2ccc(F)cc2)C2CC2)nc1 ZINC000565166324 322063955 /nfs/dbraw/zinc/06/39/55/322063955.db2.gz SIJNCEJWVJNHKN-UHFFFAOYSA-N 1 1 295.361 3.299 20 30 CGEDMO Cc1cc(C[N@H+](C)Cc2ccc(C#N)o2)ccc1F ZINC000565813860 322092336 /nfs/dbraw/zinc/09/23/36/322092336.db2.gz IWKXCWXGVJLKBZ-UHFFFAOYSA-N 1 1 258.296 3.231 20 30 CGEDMO Cc1cc(C[N@@H+](C)Cc2ccc(C#N)o2)ccc1F ZINC000565813860 322092338 /nfs/dbraw/zinc/09/23/38/322092338.db2.gz IWKXCWXGVJLKBZ-UHFFFAOYSA-N 1 1 258.296 3.231 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])CC1CCCC1 ZINC000566621909 322131898 /nfs/dbraw/zinc/13/18/98/322131898.db2.gz NFEYJJIOFIEEPV-UHFFFAOYSA-N 1 1 273.336 3.088 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C[C@H]1CC=CCC1 ZINC000566741236 322136247 /nfs/dbraw/zinc/13/62/47/322136247.db2.gz UMKQZRHXQJPRFA-ZDUSSCGKSA-N 1 1 285.347 3.255 20 30 CGEDMO C[C@H](C1CCCCC1)[N@@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000567887243 322181435 /nfs/dbraw/zinc/18/14/35/322181435.db2.gz FSVCRHPKYXPYPD-CYBMUJFWSA-N 1 1 297.406 3.002 20 30 CGEDMO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cc1ccc(C#N)cn1 ZINC000571413722 322298190 /nfs/dbraw/zinc/29/81/90/322298190.db2.gz JJBZEADXBFECSX-CRAIPNDOSA-N 1 1 291.398 3.406 20 30 CGEDMO CC(C)(C)N1CCC[N@H+](CC(C)(C)CCC#N)CC1 ZINC000535083770 328385822 /nfs/dbraw/zinc/38/58/22/328385822.db2.gz BUOYFLLOJOWYOS-UHFFFAOYSA-N 1 1 265.445 3.123 20 30 CGEDMO CC(C)(C)[N@@H+]1CCCN(CC(C)(C)CCC#N)CC1 ZINC000535083770 328385824 /nfs/dbraw/zinc/38/58/24/328385824.db2.gz BUOYFLLOJOWYOS-UHFFFAOYSA-N 1 1 265.445 3.123 20 30 CGEDMO CC(C)(C)[N@H+]1CCCN(CC(C)(C)CCC#N)CC1 ZINC000535083770 328385825 /nfs/dbraw/zinc/38/58/25/328385825.db2.gz BUOYFLLOJOWYOS-UHFFFAOYSA-N 1 1 265.445 3.123 20 30 CGEDMO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@@H+]1CC1(C#N)CC1 ZINC000451145591 331017435 /nfs/dbraw/zinc/01/74/35/331017435.db2.gz KVHASCKDMUGNNK-AXFHLTTASA-N 1 1 260.303 3.341 20 30 CGEDMO C[N@@H+](CCCSCC#N)Cc1nc2ccccc2s1 ZINC000074981369 327122885 /nfs/dbraw/zinc/12/28/85/327122885.db2.gz XUXQGAUJQMECED-UHFFFAOYSA-N 1 1 291.445 3.375 20 30 CGEDMO N#CCCCC[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000076806716 327130887 /nfs/dbraw/zinc/13/08/87/327130887.db2.gz PIEURQXSBUROCE-HNNXBMFYSA-N 1 1 260.356 3.384 20 30 CGEDMO C=CCOCC[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000559266862 327152350 /nfs/dbraw/zinc/15/23/50/327152350.db2.gz HERUAJBAQOOONA-AWEZNQCLSA-N 1 1 265.784 3.332 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+]Cc1ccc2ccccc2c1 ZINC000569449691 327179156 /nfs/dbraw/zinc/17/91/56/327179156.db2.gz OBEZVJIUWMEWGH-OAHLLOKOSA-N 1 1 263.344 3.373 20 30 CGEDMO CCC[N@@H+](CCCCC#N)[C@H](C)C(=O)Nc1ccccc1 ZINC000102400186 327226931 /nfs/dbraw/zinc/22/69/31/327226931.db2.gz NPTAGXURWSXHKJ-OAHLLOKOSA-N 1 1 287.407 3.419 20 30 CGEDMO N#CCCCC[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000102397881 327226987 /nfs/dbraw/zinc/22/69/87/327226987.db2.gz MFYUWOFVDRLZAR-QGZVFWFLSA-N 1 1 272.392 3.361 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000531101115 327246676 /nfs/dbraw/zinc/24/66/76/327246676.db2.gz DASWNPQMVBNUIU-LBPRGKRZSA-N 1 1 292.345 3.360 20 30 CGEDMO Clc1ccc(C#CC[N@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1 ZINC000152803095 327297895 /nfs/dbraw/zinc/29/78/95/327297895.db2.gz AKSZQEIVFKTHIK-NVXWUHKLSA-N 1 1 289.806 3.192 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+][C@@H](CC(F)F)c1ccccc1 ZINC000566792369 327461867 /nfs/dbraw/zinc/46/18/67/327461867.db2.gz VCBGDKHWQBFADD-OCCSQVGLSA-N 1 1 277.318 3.416 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](C3CC3)C2)cc1 ZINC000377395104 329013942 /nfs/dbraw/zinc/01/39/42/329013942.db2.gz ZTCAITXEBPWKOR-CZUORRHYSA-N 1 1 270.376 3.209 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](CC)[C@@H](C)c1cccc(OC)c1 ZINC000178063010 329192235 /nfs/dbraw/zinc/19/22/35/329192235.db2.gz NAVAXOPTWOLPMW-GOEBONIOSA-N 1 1 277.408 3.405 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](CC(=O)OC)C(C)(C)C)cc1 ZINC000177847438 329193082 /nfs/dbraw/zinc/19/30/82/329193082.db2.gz KCJNCPNLUASQSY-UHFFFAOYSA-N 1 1 291.391 3.025 20 30 CGEDMO C=CCOc1ccc(C[N@H+](CC(=O)OC)C(C)(C)C)cc1 ZINC000177847438 329193083 /nfs/dbraw/zinc/19/30/83/329193083.db2.gz KCJNCPNLUASQSY-UHFFFAOYSA-N 1 1 291.391 3.025 20 30 CGEDMO COc1cc(C[N@H+](C)CC#Cc2ccc(F)cc2)ccc1O ZINC000178972271 329202954 /nfs/dbraw/zinc/20/29/54/329202954.db2.gz HDQNNHHSZGVJTN-UHFFFAOYSA-N 1 1 299.345 3.023 20 30 CGEDMO COc1cc(C[N@@H+](C)CC#Cc2ccc(F)cc2)ccc1O ZINC000178972271 329202956 /nfs/dbraw/zinc/20/29/56/329202956.db2.gz HDQNNHHSZGVJTN-UHFFFAOYSA-N 1 1 299.345 3.023 20 30 CGEDMO C=C(C)C[N@@H+](C)CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000181318580 329231317 /nfs/dbraw/zinc/23/13/17/329231317.db2.gz ZOTFVLHRGRSGCX-KRWDZBQOSA-N 1 1 286.419 3.078 20 30 CGEDMO CC(C)[NH+](CCCN[C@H]1CCC[C@@H](C#N)C1)C(C)C ZINC000185854018 329333555 /nfs/dbraw/zinc/33/35/55/329333555.db2.gz ZKEPSHOXCHIEMR-CVEARBPZSA-N 1 1 265.445 3.167 20 30 CGEDMO C=CC[N@H+](CCOC)C[C@@H]1CCC2(CCCCC2)O1 ZINC000189423199 329382103 /nfs/dbraw/zinc/38/21/03/329382103.db2.gz XXYZHXAISQNOJZ-HNNXBMFYSA-N 1 1 267.413 3.003 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC000459773008 329388339 /nfs/dbraw/zinc/38/83/39/329388339.db2.gz VFUSVMGQJYJBSB-XJKSGUPXSA-N 1 1 265.372 3.016 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)C[C@H]1CCSC1 ZINC000278593227 330117591 /nfs/dbraw/zinc/11/75/91/330117591.db2.gz IGZXQZIWQPGGCP-CYBMUJFWSA-N 1 1 251.395 3.063 20 30 CGEDMO C=CCn1cc(C[NH2+]Cc2ccc(C3CCCC3)cc2)nn1 ZINC000424169131 330310543 /nfs/dbraw/zinc/31/05/43/330310543.db2.gz HIXLFCGENTWAPB-UHFFFAOYSA-N 1 1 296.418 3.412 20 30 CGEDMO Cc1cc(F)c(C[NH2+]CC2(CC#N)CC2)c(F)c1 ZINC000424192523 330323858 /nfs/dbraw/zinc/32/38/58/330323858.db2.gz PCEBXPYJSVSOFW-UHFFFAOYSA-N 1 1 250.292 3.057 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cnc(OC)c(Cl)c1 ZINC000533099883 330335306 /nfs/dbraw/zinc/33/53/06/330335306.db2.gz MJTVWWOXMZFMEZ-UHFFFAOYSA-N 1 1 254.761 3.142 20 30 CGEDMO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000424316770 330339588 /nfs/dbraw/zinc/33/95/88/330339588.db2.gz BJKBUQQHPSFGNR-ATLSCFEFSA-N 1 1 289.467 3.311 20 30 CGEDMO CC#CC[N@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000533148477 330351170 /nfs/dbraw/zinc/35/11/70/330351170.db2.gz OZOVXYXYSHUXJR-AWEZNQCLSA-N 1 1 277.795 3.454 20 30 CGEDMO C[N@@H+](CC#Cc1ccccc1Cl)[C@@H]1CCSC1 ZINC000089936578 330389041 /nfs/dbraw/zinc/38/90/41/330389041.db2.gz UKDYKRGWXXBLEQ-CYBMUJFWSA-N 1 1 265.809 3.129 20 30 CGEDMO C[C@@H](Cc1ccccc1)N1CCC([NH2+]CCCCC#N)CC1 ZINC000449131132 330900942 /nfs/dbraw/zinc/90/09/42/330900942.db2.gz KGUMBENJWUDMMC-KRWDZBQOSA-N 1 1 299.462 3.365 20 30 CGEDMO C=CCC[C@@H](CO)[NH2+][C@@H](CCc1ccccc1)C(F)F ZINC000449700754 330944754 /nfs/dbraw/zinc/94/47/54/330944754.db2.gz UUTWACGFRDKTJD-GJZGRUSLSA-N 1 1 283.362 3.170 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCc2c(Cl)cc(F)cc2C1 ZINC000451161429 331018097 /nfs/dbraw/zinc/01/80/97/331018097.db2.gz YJJJOBCPNVJBEG-ZDUSSCGKSA-N 1 1 283.774 3.164 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCc2c(Cl)cc(F)cc2C1 ZINC000451161429 331018098 /nfs/dbraw/zinc/01/80/98/331018098.db2.gz YJJJOBCPNVJBEG-ZDUSSCGKSA-N 1 1 283.774 3.164 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000451405249 331027792 /nfs/dbraw/zinc/02/77/92/331027792.db2.gz HSIFHBXJHQXGQD-NWDGAFQWSA-N 1 1 265.319 3.242 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451702071 331039536 /nfs/dbraw/zinc/03/95/36/331039536.db2.gz RVDPNRQYUKKRDD-BZUAXINKSA-N 1 1 278.440 3.189 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451704428 331039741 /nfs/dbraw/zinc/03/97/41/331039741.db2.gz XGRGMARVSNSBSO-XUWVNRHRSA-N 1 1 251.414 3.214 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC3(CCC3)[C@H]2c2ccco2)C1 ZINC000451855892 331044864 /nfs/dbraw/zinc/04/48/64/331044864.db2.gz OXLRMWXWONHUPX-VNHYZAJKSA-N 1 1 256.349 3.499 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000451877304 331045849 /nfs/dbraw/zinc/04/58/49/331045849.db2.gz IFROBAVAKRGACW-RHSMWYFYSA-N 1 1 299.418 3.417 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000451986526 331049489 /nfs/dbraw/zinc/04/94/89/331049489.db2.gz XXUNNAPVYFGJGP-KRWDZBQOSA-N 1 1 271.429 3.257 20 30 CGEDMO C=CC(C)(C)CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000452775729 331076444 /nfs/dbraw/zinc/07/64/44/331076444.db2.gz PEIHQOOSOKROPD-OAHLLOKOSA-N 1 1 274.408 3.008 20 30 CGEDMO N#CCCC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453195076 331100014 /nfs/dbraw/zinc/10/00/14/331100014.db2.gz OPNYCYJMMJKBHY-IPMKNSEASA-N 1 1 297.446 3.323 20 30 CGEDMO C=C(C)CCNC(=O)N1CCC(C[N@H+](C)CCCC)CC1 ZINC000458990023 331264488 /nfs/dbraw/zinc/26/44/88/331264488.db2.gz CSIXYIYPUZIDOJ-UHFFFAOYSA-N 1 1 295.471 3.106 20 30 CGEDMO CC(C)(CC#N)C[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000459705141 331295190 /nfs/dbraw/zinc/29/51/90/331295190.db2.gz XSEIUXIJEULXJQ-UHFFFAOYSA-N 1 1 286.404 3.235 20 30 CGEDMO CC#CCC[N@@H+](C[C@@H]1CCCO1)C1CCC(C)CC1 ZINC000462317001 331319337 /nfs/dbraw/zinc/31/93/37/331319337.db2.gz BOXKLZKVZZQDQR-JCYILVPMSA-N 1 1 263.425 3.460 20 30 CGEDMO CC#CCC[N@@H+]1CCc2c(Br)cccc2C1 ZINC000462316218 331319465 /nfs/dbraw/zinc/31/94/65/331319465.db2.gz KOHXULBKXRKRFH-UHFFFAOYSA-N 1 1 278.193 3.221 20 30 CGEDMO CC#CCC[N@H+]1CCc2c(Br)cccc2C1 ZINC000462316218 331319466 /nfs/dbraw/zinc/31/94/66/331319466.db2.gz KOHXULBKXRKRFH-UHFFFAOYSA-N 1 1 278.193 3.221 20 30 CGEDMO CC[N@@H+](CC#Cc1cccc(Cl)c1)C[C@@H](C)OC ZINC000463425269 331347411 /nfs/dbraw/zinc/34/74/11/331347411.db2.gz HAAZVZMRJYBJEF-CYBMUJFWSA-N 1 1 265.784 3.048 20 30 CGEDMO Clc1ccc(C#CC[N@H+]2CCC[C@@H]3COCC[C@H]32)cc1 ZINC000464849836 331371218 /nfs/dbraw/zinc/37/12/18/331371218.db2.gz JEDXENQNJQVAFG-NVXWUHKLSA-N 1 1 289.806 3.192 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000488533349 332015925 /nfs/dbraw/zinc/01/59/25/332015925.db2.gz ZZDPABCMMRQOSI-OAHLLOKOSA-N 1 1 292.810 3.343 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCOc2ccc(F)cc2C1 ZINC000489233587 332044056 /nfs/dbraw/zinc/04/40/56/332044056.db2.gz HELQJUQPCXCAQB-UHFFFAOYSA-N 1 1 276.355 3.350 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1c(C)nc2ccccn21 ZINC000489452245 332053621 /nfs/dbraw/zinc/05/36/21/332053621.db2.gz VWQZHKFFXCAQKB-AWEZNQCLSA-N 1 1 255.365 3.183 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc2c(c1)CCC2 ZINC000489479280 332055202 /nfs/dbraw/zinc/05/52/02/332055202.db2.gz ONVQCNUMBCXZJL-KRWDZBQOSA-N 1 1 284.403 3.154 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc2c(c1)CCC2 ZINC000489479280 332055203 /nfs/dbraw/zinc/05/52/03/332055203.db2.gz ONVQCNUMBCXZJL-KRWDZBQOSA-N 1 1 284.403 3.154 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)N1CCCc2ccccc21 ZINC000489490254 332056036 /nfs/dbraw/zinc/05/60/36/332056036.db2.gz CDHMLIIBRIBHIS-INIZCTEOSA-N 1 1 284.403 3.006 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)N1CCCc2ccccc21 ZINC000489490254 332056037 /nfs/dbraw/zinc/05/60/37/332056037.db2.gz CDHMLIIBRIBHIS-INIZCTEOSA-N 1 1 284.403 3.006 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)OC)s1 ZINC000489489115 332056148 /nfs/dbraw/zinc/05/61/48/332056148.db2.gz YOEKSAXRVNJLBW-LLVKDONJSA-N 1 1 265.378 3.075 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(C(=O)OC)s1 ZINC000489489115 332056150 /nfs/dbraw/zinc/05/61/50/332056150.db2.gz YOEKSAXRVNJLBW-LLVKDONJSA-N 1 1 265.378 3.075 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CCOc1ccc(OC)cc1 ZINC000489502515 332057003 /nfs/dbraw/zinc/05/70/03/332057003.db2.gz YUZJQFZVCPIMBL-AWEZNQCLSA-N 1 1 261.365 3.115 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cccc(C(=O)OC)c1 ZINC000491259474 332175873 /nfs/dbraw/zinc/17/58/73/332175873.db2.gz KQQFBRXVGDGGOQ-UHFFFAOYSA-N 1 1 299.370 3.297 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1ccc(F)cc1)c1ccc(F)cc1 ZINC000491313962 332187883 /nfs/dbraw/zinc/18/78/83/332187883.db2.gz CADKOQTUBQLJRS-MRXNPFEDSA-N 1 1 257.283 3.429 20 30 CGEDMO C#C[C@H]([NH2+]Cc1ccc2[nH]cnc2c1)c1ccc(F)cc1 ZINC000491406232 332206286 /nfs/dbraw/zinc/20/62/86/332206286.db2.gz MQTKHVGTDVUPFA-HNNXBMFYSA-N 1 1 279.318 3.166 20 30 CGEDMO C#C[C@H]([NH2+]Cc1ccc2nc[nH]c2c1)c1ccc(F)cc1 ZINC000491406232 332206287 /nfs/dbraw/zinc/20/62/87/332206287.db2.gz MQTKHVGTDVUPFA-HNNXBMFYSA-N 1 1 279.318 3.166 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1ccc(NC(C)=O)cc1)c1ccc(F)cc1 ZINC000491625337 332249200 /nfs/dbraw/zinc/24/92/00/332249200.db2.gz KIQAFNLWBDKIJC-GOSISDBHSA-N 1 1 296.345 3.248 20 30 CGEDMO C#CC[N@@H+](CC)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000491669009 332276516 /nfs/dbraw/zinc/27/65/16/332276516.db2.gz WXSJPSXCDUFXHD-UHFFFAOYSA-N 1 1 299.201 3.277 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccccc1OCc1ccncc1 ZINC000491689795 332287194 /nfs/dbraw/zinc/28/71/94/332287194.db2.gz KIULASMYJMWSGO-HNNXBMFYSA-N 1 1 280.371 3.114 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)CC/C=C\c2ccccc2)n1 ZINC000491736038 332316414 /nfs/dbraw/zinc/31/64/14/332316414.db2.gz GHVLYFXECXCJHP-WQLSENKSSA-N 1 1 293.414 3.442 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)Cc1ccc(C)nc1 ZINC000491771605 332338273 /nfs/dbraw/zinc/33/82/73/332338273.db2.gz PAMKJGIQRROMGF-UHFFFAOYSA-N 1 1 250.345 3.025 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(C)nc1 ZINC000491771605 332338274 /nfs/dbraw/zinc/33/82/74/332338274.db2.gz PAMKJGIQRROMGF-UHFFFAOYSA-N 1 1 250.345 3.025 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)C/C(C)=C\c2ccccc2)n1 ZINC000491816364 332367132 /nfs/dbraw/zinc/36/71/32/332367132.db2.gz SDISRBDSIPVNJH-VKAVYKQESA-N 1 1 293.414 3.442 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)C/C(C)=C\c2ccccc2)n1 ZINC000491816364 332367133 /nfs/dbraw/zinc/36/71/33/332367133.db2.gz SDISRBDSIPVNJH-VKAVYKQESA-N 1 1 293.414 3.442 20 30 CGEDMO CC(C)C[C@@H](CO)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000185336219 333139049 /nfs/dbraw/zinc/13/90/49/333139049.db2.gz IUYFZGJKBKRYCN-INIZCTEOSA-N 1 1 279.811 3.030 20 30 CGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)C1CCCC1 ZINC000185481235 333141626 /nfs/dbraw/zinc/14/16/26/333141626.db2.gz FGZOGSSYXSDXMH-QGZVFWFLSA-N 1 1 289.419 3.029 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)C[C@H](O)Cc1ccccc1 ZINC000220336608 333165401 /nfs/dbraw/zinc/16/54/01/333165401.db2.gz BOQRDXPATHDANQ-LJQANCHMSA-N 1 1 281.399 3.278 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)Nc1ccccc1CC ZINC000193174814 333244225 /nfs/dbraw/zinc/24/42/25/333244225.db2.gz UPRBKYNFNOXWBB-CQSZACIVSA-N 1 1 274.408 3.474 20 30 CGEDMO C=CCCCN(C)C(=O)NC[C@@H]1CCCC[N@@H+]1CCCC ZINC000522981308 333302968 /nfs/dbraw/zinc/30/29/68/333302968.db2.gz IUKSUYINWYCCGG-INIZCTEOSA-N 1 1 295.471 3.249 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000523444380 333327444 /nfs/dbraw/zinc/32/74/44/333327444.db2.gz XFSMTEHCKHFFLO-INIZCTEOSA-N 1 1 273.355 3.157 20 30 CGEDMO Clc1ccc(C#CC[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000575926861 335132068 /nfs/dbraw/zinc/13/20/68/335132068.db2.gz LHNTUQHIWIXBLD-SJORKVTESA-N 1 1 289.806 3.335 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)nc1 ZINC000576217333 335171416 /nfs/dbraw/zinc/17/14/16/335171416.db2.gz ONVKOWGILVSJCM-UHFFFAOYSA-N 1 1 293.345 3.382 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)nc1 ZINC000576217333 335171417 /nfs/dbraw/zinc/17/14/17/335171417.db2.gz ONVKOWGILVSJCM-UHFFFAOYSA-N 1 1 293.345 3.382 20 30 CGEDMO C=CCCC[N@@H+](C)[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000076738528 334088328 /nfs/dbraw/zinc/08/83/28/334088328.db2.gz GPOOAHMVRNZDPF-NSHDSACASA-N 1 1 251.374 3.326 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000076738528 334088329 /nfs/dbraw/zinc/08/83/29/334088329.db2.gz GPOOAHMVRNZDPF-NSHDSACASA-N 1 1 251.374 3.326 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@](CO)(CCC)C2)cc1 ZINC000564330920 334118025 /nfs/dbraw/zinc/11/80/25/334118025.db2.gz UEUCMTNKFVTDEO-GOSISDBHSA-N 1 1 289.419 3.236 20 30 CGEDMO C=C(C)CN1CCC([NH2+][C@@H](C)c2cn3ccccc3n2)CC1 ZINC000548056385 334137234 /nfs/dbraw/zinc/13/72/34/334137234.db2.gz GEASOUMDRXHIPC-HNNXBMFYSA-N 1 1 298.434 3.025 20 30 CGEDMO C=CCOCC[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000549446631 334194266 /nfs/dbraw/zinc/19/42/66/334194266.db2.gz WEOCRSHVQOMRDU-UKRRQHHQSA-N 1 1 263.356 3.206 20 30 CGEDMO Clc1cccc(C#CC[N@H+]2CCC[C@H]2[C@@H]2CCCO2)c1 ZINC000551423609 334250071 /nfs/dbraw/zinc/25/00/71/334250071.db2.gz NVTGOTACZREBRM-IRXDYDNUSA-N 1 1 289.806 3.335 20 30 CGEDMO C=C(CC)C[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000564392786 334333735 /nfs/dbraw/zinc/33/37/35/334333735.db2.gz GNUMDKAHONOIJH-INIZCTEOSA-N 1 1 256.393 3.090 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC/C=C\c1cncc(OC)c1 ZINC000576396715 335198327 /nfs/dbraw/zinc/19/83/27/335198327.db2.gz LWSPRJOARCVPCX-VURMDHGXSA-N 1 1 260.381 3.392 20 30 CGEDMO C=C(CC)C[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000382022988 336080338 /nfs/dbraw/zinc/08/03/38/336080338.db2.gz YTFHWPMRFKJESA-MOPGFXCFSA-N 1 1 284.447 3.407 20 30 CGEDMO C=C(CC)C[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000382022988 336080339 /nfs/dbraw/zinc/08/03/39/336080339.db2.gz YTFHWPMRFKJESA-MOPGFXCFSA-N 1 1 284.447 3.407 20 30 CGEDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000384293143 336123387 /nfs/dbraw/zinc/12/33/87/336123387.db2.gz YEIPDNZHFKADLP-IUODEOHRSA-N 1 1 258.365 3.187 20 30 CGEDMO Cc1ccc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)nn1 ZINC000414366905 533903282 /nfs/dbraw/zinc/90/32/82/533903282.db2.gz CMXHHHSTQPRRKR-UHFFFAOYSA-N 1 1 294.402 3.315 20 30 CGEDMO C[C@H]1C[C@@H](C[N@@H+](CCC#N)CC(C)(C)C)CCO1 ZINC000352690400 534078056 /nfs/dbraw/zinc/07/80/56/534078056.db2.gz DTMTULJJHPERRF-KBPBESRZSA-N 1 1 252.402 3.063 20 30 CGEDMO C[C@@H]1CC[C@]2(CC[N@@H+](CC(=O)Nc3ccc(C#N)cc3)C2)C1 ZINC000359541866 534265254 /nfs/dbraw/zinc/26/52/54/534265254.db2.gz DULBOYZWRYPVTM-KDOFPFPSSA-N 1 1 297.402 3.009 20 30 CGEDMO C=CC[C@H](C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccccc1 ZINC000190184789 534328215 /nfs/dbraw/zinc/32/82/15/534328215.db2.gz SRHODFTZQZGBLH-KYJSFNMBSA-N 1 1 298.430 3.088 20 30 CGEDMO C=CC[NH+](CC=C)Cc1c(C2CC2)nc2sccn12 ZINC000183464037 518771221 /nfs/dbraw/zinc/77/12/21/518771221.db2.gz RLEYOSQXHGOTOD-UHFFFAOYSA-N 1 1 273.405 3.447 20 30 CGEDMO CC1(C)C[N@H+](Cc2cc(C#N)ccc2F)CCS1 ZINC000083416206 520474763 /nfs/dbraw/zinc/47/47/63/520474763.db2.gz KRUCZGNQLXXNGO-UHFFFAOYSA-N 1 1 264.369 3.025 20 30 CGEDMO CC1(C)C[N@@H+](Cc2cc(C#N)ccc2F)CCS1 ZINC000083416206 520474771 /nfs/dbraw/zinc/47/47/71/520474771.db2.gz KRUCZGNQLXXNGO-UHFFFAOYSA-N 1 1 264.369 3.025 20 30 CGEDMO C[C@@H](C[N@@H+](C)Cc1ccc(C#N)cc1F)c1nccs1 ZINC000183988468 524575584 /nfs/dbraw/zinc/57/55/84/524575584.db2.gz OWVKOMMYWDMUKZ-NSHDSACASA-N 1 1 289.379 3.389 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1cncc(F)c1 ZINC000344692098 526314527 /nfs/dbraw/zinc/31/45/27/526314527.db2.gz FHTOIYFQYFYMRU-UHFFFAOYSA-N 1 1 270.351 3.451 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)CC[C@H]1CCCCO1 ZINC000347784579 526325734 /nfs/dbraw/zinc/32/57/34/526325734.db2.gz AVWSOCXQXINGAT-OAHLLOKOSA-N 1 1 263.381 3.269 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cc(O)cc(F)c1 ZINC000351977119 526327037 /nfs/dbraw/zinc/32/70/37/526327037.db2.gz YPPNCRLQAKOBMH-UHFFFAOYSA-N 1 1 275.323 3.355 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)c1 ZINC000291514559 526703815 /nfs/dbraw/zinc/70/38/15/526703815.db2.gz IPLNMHVBFTXLFC-INIZCTEOSA-N 1 1 252.361 3.323 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C[C@@H](C)O)C(C)(C)C)cc1 ZINC000192743806 526863133 /nfs/dbraw/zinc/86/31/33/526863133.db2.gz QQNCGISYMCVFLQ-CQSZACIVSA-N 1 1 277.408 3.233 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](OC)C2)cc1Cl ZINC000353871095 526871537 /nfs/dbraw/zinc/87/15/37/526871537.db2.gz SLOHOHNXSDWSDJ-CYBMUJFWSA-N 1 1 281.783 3.126 20 30 CGEDMO C=CCCC1(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000353824269 527094836 /nfs/dbraw/zinc/09/48/36/527094836.db2.gz ISNICQRVJNJXCE-KRWDZBQOSA-N 1 1 298.430 3.124 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccc(OC)c(OC)c1C ZINC000347858810 527192391 /nfs/dbraw/zinc/19/23/91/527192391.db2.gz HJCUYDLFJSFKMM-UHFFFAOYSA-N 1 1 263.381 3.410 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000344534411 527194152 /nfs/dbraw/zinc/19/41/52/527194152.db2.gz ZTPACYRCTODRRP-MRXNPFEDSA-N 1 1 272.392 3.080 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1ccc(OC)c(OC)c1 ZINC000344603713 527195229 /nfs/dbraw/zinc/19/52/29/527195229.db2.gz RCWWTOFBKSWXGD-UHFFFAOYSA-N 1 1 263.381 3.492 20 30 CGEDMO C=CCCC[N@@H+](Cc1cccs1)[C@@H]1C=C[C@@H](CO)C1 ZINC000347359579 527196586 /nfs/dbraw/zinc/19/65/86/527196586.db2.gz WIFCHVGHWVNHJW-HUUCEWRRSA-N 1 1 277.433 3.453 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1C[C@H](N2CCCC2)C[C@@H]1C ZINC000352792541 527276012 /nfs/dbraw/zinc/27/60/12/527276012.db2.gz MGROGHCSWIIVTN-HRCADAONSA-N 1 1 250.430 3.290 20 30 CGEDMO C=CCC[C@H](NCC[N@H+](CC)C1CC1)c1ccco1 ZINC000353495857 527484033 /nfs/dbraw/zinc/48/40/33/527484033.db2.gz KDDCKEUVJFUPPD-HNNXBMFYSA-N 1 1 262.397 3.361 20 30 CGEDMO C=CCC[C@H]([NH2+]CCN(CC)C1CC1)c1ccco1 ZINC000353495857 527484036 /nfs/dbraw/zinc/48/40/36/527484036.db2.gz KDDCKEUVJFUPPD-HNNXBMFYSA-N 1 1 262.397 3.361 20 30 CGEDMO C=CC[NH+](CC=C)Cc1nn(CC)c2ccccc21 ZINC000352001039 527643993 /nfs/dbraw/zinc/64/39/93/527643993.db2.gz CRKCOGHYNJMTGD-UHFFFAOYSA-N 1 1 255.365 3.230 20 30 CGEDMO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cccc(F)c2C#N)C1(C)C ZINC000428217311 527905015 /nfs/dbraw/zinc/90/50/15/527905015.db2.gz JBEOHDAIIHEZGS-JKSUJKDBSA-N 1 1 290.382 3.333 20 30 CGEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(F)c2C#N)C1(C)C ZINC000428217311 527905019 /nfs/dbraw/zinc/90/50/19/527905019.db2.gz JBEOHDAIIHEZGS-JKSUJKDBSA-N 1 1 290.382 3.333 20 30 CGEDMO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cccc(F)c2C#N)C1(C)C ZINC000428217308 528072388 /nfs/dbraw/zinc/07/23/88/528072388.db2.gz JBEOHDAIIHEZGS-CVEARBPZSA-N 1 1 290.382 3.333 20 30 CGEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(F)c2C#N)C1(C)C ZINC000428217308 528072392 /nfs/dbraw/zinc/07/23/92/528072392.db2.gz JBEOHDAIIHEZGS-CVEARBPZSA-N 1 1 290.382 3.333 20 30 CGEDMO CCC[N@H+]1CC[C@@H](CN[C@H](C)c2ccc(C#N)cc2F)C1 ZINC000358581574 528255337 /nfs/dbraw/zinc/25/53/37/528255337.db2.gz YUYKZPJPWKCZER-HIFRSBDPSA-N 1 1 289.398 3.080 20 30 CGEDMO CCN(CCC#N)C(=O)C[N@H+]1CCCCC[C@H]1CC(C)C ZINC000354468771 528356461 /nfs/dbraw/zinc/35/64/61/528356461.db2.gz XZQOJMWLUUYFNE-INIZCTEOSA-N 1 1 293.455 3.039 20 30 CGEDMO CCCC[C@@H](CN)[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000423302546 528823372 /nfs/dbraw/zinc/82/33/72/528823372.db2.gz VRJWPFDCKCLBQW-JKSUJKDBSA-N 1 1 259.397 3.116 20 30 CGEDMO CC1(CC(F)(F)F)C[NH+](Cc2ccc(C#N)cc2)C1 ZINC000459634825 535115347 /nfs/dbraw/zinc/11/53/47/535115347.db2.gz IRLHRGDKOZSEOQ-UHFFFAOYSA-N 1 1 268.282 3.333 20 30 CGEDMO C[N@H+]1CCC[C@@H](CNc2cccc(C(F)F)c2C#N)C1 ZINC000517039823 536365066 /nfs/dbraw/zinc/36/50/66/536365066.db2.gz KOYYXPLUUGWYDN-NSHDSACASA-N 1 1 279.334 3.250 20 30 CGEDMO CCCCCCCCC(=O)N1CCC[N@@H+](CC)CC1 ZINC000748850748 572986901 /nfs/dbraw/zinc/98/69/01/572986901.db2.gz IRBMFDNMCLFOMA-UHFFFAOYSA-N 1 1 268.445 3.291 20 30 CGEDMO C#CCC[NH+]1CCN(C(=O)C[C@@H](C)CCCCCC)CC1 ZINC000727675375 571762235 /nfs/dbraw/zinc/76/22/35/571762235.db2.gz KYUPOWCUDKAOOF-KRWDZBQOSA-N 1 1 292.467 3.151 20 30 CGEDMO C=C(C)C[N@H+](CCC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729485316 571921017 /nfs/dbraw/zinc/92/10/17/571921017.db2.gz ZRGAOZHPRHFXEC-CQSZACIVSA-N 1 1 282.428 3.284 20 30 CGEDMO C=CCOC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000732396193 572461944 /nfs/dbraw/zinc/46/19/44/572461944.db2.gz ABDGVPGIDOGPKE-HNNXBMFYSA-N 1 1 287.403 3.059 20 30 CGEDMO C=CCCOC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000741331945 572493103 /nfs/dbraw/zinc/49/31/03/572493103.db2.gz WAYKYQYEVSANOY-OAHLLOKOSA-N 1 1 291.366 3.157 20 30 CGEDMO CC#CC[N@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000741785236 572528362 /nfs/dbraw/zinc/52/83/62/572528362.db2.gz XTEMVFJROWPHTK-HNNXBMFYSA-N 1 1 292.220 3.479 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CCC3(CCCC3)C2)cc1 ZINC000743863164 572692093 /nfs/dbraw/zinc/69/20/93/572692093.db2.gz YTSWYQIAUFCTOU-UHFFFAOYSA-N 1 1 270.376 3.355 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735305073 572714388 /nfs/dbraw/zinc/71/43/88/572714388.db2.gz PVJNSEKFZKZVTB-LBPRGKRZSA-N 1 1 278.783 3.474 20 30 CGEDMO C#CC[N@H+](C[C@@H](O)c1c(F)cccc1F)C1CCCCC1 ZINC000744213847 572724144 /nfs/dbraw/zinc/72/41/44/572724144.db2.gz OBFQEHFLTRDYQU-MRXNPFEDSA-N 1 1 293.357 3.266 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H]1C(=O)OCc1ccccc1 ZINC000735494246 572726372 /nfs/dbraw/zinc/72/63/72/572726372.db2.gz WGIJFPYVLWSWIG-MRXNPFEDSA-N 1 1 273.376 3.160 20 30 CGEDMO C#CC[N@H+](CC)[C@@H](C)c1ccc(Br)cc1 ZINC000746144098 572856937 /nfs/dbraw/zinc/85/69/37/572856937.db2.gz KSHRUJNBJIOCPE-NSHDSACASA-N 1 1 266.182 3.465 20 30 CGEDMO C#CC[N@@H+](CC)[C@@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000746457803 572872871 /nfs/dbraw/zinc/87/28/71/572872871.db2.gz QTYCEKIVHOSLAA-AWEZNQCLSA-N 1 1 280.371 3.122 20 30 CGEDMO C#CC[N@H+](CC)[C@@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000746457803 572872873 /nfs/dbraw/zinc/87/28/73/572872873.db2.gz QTYCEKIVHOSLAA-AWEZNQCLSA-N 1 1 280.371 3.122 20 30 CGEDMO CC[N@@H+](CCc1ccccn1)Cc1cc(C#N)ccc1OC ZINC000747668267 572939753 /nfs/dbraw/zinc/93/97/53/572939753.db2.gz CLWPEBCONZCAPH-UHFFFAOYSA-N 1 1 295.386 3.026 20 30 CGEDMO CS[C@H]1CCCC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000749466482 573007783 /nfs/dbraw/zinc/00/77/83/573007783.db2.gz UVBOGZRYJCGDTO-INIZCTEOSA-N 1 1 290.432 3.306 20 30 CGEDMO C=CCN(C(=O)CCCn1cc[nH+]c1C)c1ccccc1 ZINC000750564665 573151680 /nfs/dbraw/zinc/15/16/80/573151680.db2.gz SJVHQIFAOIITDK-UHFFFAOYSA-N 1 1 283.375 3.191 20 30 CGEDMO C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC1(C)C ZINC000968819780 613250807 /nfs/dbraw/zinc/25/08/07/613250807.db2.gz YMYPDUXWDXLWLQ-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)C)C2)C1 ZINC000961149144 613268508 /nfs/dbraw/zinc/26/85/08/613268508.db2.gz VUIPVWHBQQMCEB-IAGOWNOFSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)CC2CCCC2)C1 ZINC000972472880 613284394 /nfs/dbraw/zinc/28/43/94/613284394.db2.gz QVGCCKBNAYCPFS-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCCC2(C)C)C1 ZINC000980512145 613284738 /nfs/dbraw/zinc/28/47/38/613284738.db2.gz WEORTSYDCMNGAC-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2cc(C)ccc2C)C1 ZINC000980270555 613290961 /nfs/dbraw/zinc/29/09/61/613290961.db2.gz OXUQJLXWOWLWKH-INIZCTEOSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)C(C)(C)C(C)(C)C)CC1 ZINC000981746519 613307916 /nfs/dbraw/zinc/30/79/16/613307916.db2.gz FVKLKUTZTSFWLU-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)C2CC3(CC3)C2)CC1 ZINC000948762244 613313641 /nfs/dbraw/zinc/31/36/41/613313641.db2.gz NKFSVJNVVYDIMP-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)C2CC(C)(C)C2)CC1 ZINC000948348614 613313877 /nfs/dbraw/zinc/31/38/77/613313877.db2.gz DZJBHWFXUHVORT-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)C[C@H]2C=CCC2)CC1 ZINC000948173059 613314560 /nfs/dbraw/zinc/31/45/60/613314560.db2.gz HGQGSFJESDJJJI-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)/C(C)=C\C)C1 ZINC000963281004 613314668 /nfs/dbraw/zinc/31/46/68/613314668.db2.gz GKMXLJVUXQMKTL-XIENNYHASA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)F)C1 ZINC000963239657 613315555 /nfs/dbraw/zinc/31/55/55/613315555.db2.gz YUPHFRBBGMTTNS-CABCVRRESA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)[C@H](CC)CC2CCCC2)CC1 ZINC000951168960 613318796 /nfs/dbraw/zinc/31/87/96/613318796.db2.gz BIDOQGXMWVWCJR-QGZVFWFLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC000967993316 613323953 /nfs/dbraw/zinc/32/39/53/613323953.db2.gz IWXFVIJIVKIPOW-ZBFHGGJFSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc(C)cs2)C1 ZINC000966001256 613325915 /nfs/dbraw/zinc/32/59/15/613325915.db2.gz YJOCUBIFDXZXEN-ZIAGYGMSSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](C)[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC000968565598 613332732 /nfs/dbraw/zinc/33/27/32/613332732.db2.gz HNJHSTOKDMLPSQ-QAETUUGQSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)C(C)=C2CCCC2)C1 ZINC000965885153 613333435 /nfs/dbraw/zinc/33/34/35/613333435.db2.gz CRTMELKDFWCZOB-WMLDXEAASA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)=C2CCC2)C[C@H]1C ZINC000947301821 613334595 /nfs/dbraw/zinc/33/45/95/613334595.db2.gz ZMUGPKKYRJEJDW-CJNGLKHVSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C[C@H]2C=CCC2)C(C)(C)C1 ZINC000940562549 613335051 /nfs/dbraw/zinc/33/50/51/613335051.db2.gz FRNNJPUYPSZSPD-HOTGVXAUSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2csc(C)c2)C[C@@H]1C ZINC000947809978 613337114 /nfs/dbraw/zinc/33/71/14/613337114.db2.gz HWTDUJCIKGHGFF-WFASDCNBSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C2CCC=CCC2)C(C)(C)C1 ZINC000977629882 613337553 /nfs/dbraw/zinc/33/75/53/613337553.db2.gz YTKNIQQCMXFKHV-MRXNPFEDSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)C2(C)CCCCC2)C1 ZINC000972232958 613368240 /nfs/dbraw/zinc/36/82/40/613368240.db2.gz VKDZKWFJJGXBBG-CQSZACIVSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)C2(C)CCCCC2)C1 ZINC000972232958 613368241 /nfs/dbraw/zinc/36/82/41/613368241.db2.gz VKDZKWFJJGXBBG-CQSZACIVSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)C[C@H]2C=CCCC2)C1 ZINC000971772287 613370033 /nfs/dbraw/zinc/37/00/33/613370033.db2.gz OVLBOBLQTKPJOR-GJZGRUSLSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)C[C@H]2C=CCCC2)C1 ZINC000971772287 613370034 /nfs/dbraw/zinc/37/00/34/613370034.db2.gz OVLBOBLQTKPJOR-GJZGRUSLSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC2(C)C)C1 ZINC000972112406 613370222 /nfs/dbraw/zinc/37/02/22/613370222.db2.gz QDWKLHHCLLYGHH-KBPBESRZSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC2(C)C)C1 ZINC000972112406 613370223 /nfs/dbraw/zinc/37/02/23/613370223.db2.gz QDWKLHHCLLYGHH-KBPBESRZSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(C)CC(=C)C2)C[C@@H]1C ZINC000947702597 613377994 /nfs/dbraw/zinc/37/79/94/613377994.db2.gz QFSQIPMFWNTENH-KBPBESRZSA-N 1 1 296.842 3.064 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(C)CC(=C)C2)C[C@@H]1C ZINC000947702597 613377995 /nfs/dbraw/zinc/37/79/95/613377995.db2.gz QFSQIPMFWNTENH-KBPBESRZSA-N 1 1 296.842 3.064 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC000950406119 613477868 /nfs/dbraw/zinc/47/78/68/613477868.db2.gz FUTKRNXFEWMZSN-INIZCTEOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccc(C)o1 ZINC000968735630 613490484 /nfs/dbraw/zinc/49/04/84/613490484.db2.gz MGQSWTLVYURYQF-OAHLLOKOSA-N 1 1 290.407 3.139 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)CC2CCC2)CC1 ZINC000948269137 613501045 /nfs/dbraw/zinc/50/10/45/613501045.db2.gz JUBVOCPRDAOIFO-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2(F)CCCCC2)C1 ZINC000968504129 613516724 /nfs/dbraw/zinc/51/67/24/613516724.db2.gz DXZCZJIJDPZPSS-HUUCEWRRSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)C(C)=C2CCCC2)[C@@H](C)C1 ZINC000941944152 613518922 /nfs/dbraw/zinc/51/89/22/613518922.db2.gz SEGIAOKBGGSMRK-WMLDXEAASA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)C(F)=C2CCCC2)[C@H](C)C1 ZINC000941955429 613519536 /nfs/dbraw/zinc/51/95/36/613519536.db2.gz NIZZMIORUBSUGY-UKRRQHHQSA-N 1 1 294.414 3.187 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C)C[C@@H]1C ZINC000947010568 613524546 /nfs/dbraw/zinc/52/45/46/613524546.db2.gz YIGFNEXOEIRMKF-JKSUJKDBSA-N 1 1 286.419 3.154 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC000967997009 613531127 /nfs/dbraw/zinc/53/11/27/613531127.db2.gz UACQIUKNSGPZIO-GOEBONIOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C)s2)C[C@H]1C ZINC000946999891 613538553 /nfs/dbraw/zinc/53/85/53/613538553.db2.gz DITNSLVYYBRYPL-OCCSQVGLSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](NC(=O)C[C@H]2C=CCCC2)C(C)(C)C1 ZINC000974742494 613544485 /nfs/dbraw/zinc/54/44/85/613544485.db2.gz PRZKGTUIUJDGOT-JKSUJKDBSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C(C)=C2CCCC2)C(C)(C)C1 ZINC000973022682 613553154 /nfs/dbraw/zinc/55/31/54/613553154.db2.gz KZLHGXDBHHYIAW-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccccc2C2CCC2)C1 ZINC000980287195 613622484 /nfs/dbraw/zinc/62/24/84/613622484.db2.gz WEXKGILXURREKH-MRXNPFEDSA-N 1 1 298.430 3.286 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(C(C)C)s2)C1 ZINC000980506907 613636532 /nfs/dbraw/zinc/63/65/32/613636532.db2.gz HZPYPQVIQFTGCI-ZDUSSCGKSA-N 1 1 292.448 3.204 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)c2cccc3ccccc32)C1 ZINC000980312822 613637604 /nfs/dbraw/zinc/63/76/04/613637604.db2.gz OFWPFZHCXRAKLS-INIZCTEOSA-N 1 1 294.398 3.172 20 30 CGEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)C3(CC)CCCC3)C2)C1 ZINC000982094030 613677562 /nfs/dbraw/zinc/67/75/62/613677562.db2.gz YOVWNUQGEZRYDN-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C=C(C)C)CC2)C1 ZINC000961312533 613700161 /nfs/dbraw/zinc/70/01/61/613700161.db2.gz KMTGNCPTZIMDEV-QGZVFWFLSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC000948748034 613701032 /nfs/dbraw/zinc/70/10/32/613701032.db2.gz AYCRBINKCOZHRQ-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2(C)CCC2)C1 ZINC000963339853 613703568 /nfs/dbraw/zinc/70/35/68/613703568.db2.gz MEYUNQYKHCSYLY-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)c2cc(C)c(C)o2)CC1 ZINC000948299232 613705146 /nfs/dbraw/zinc/70/51/46/613705146.db2.gz INVBOIPOFZUQCV-HNNXBMFYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@]23C[C@@H]2CCCC3)CC1 ZINC000948758367 613705178 /nfs/dbraw/zinc/70/51/78/613705178.db2.gz FSQFFEQUSMOWLC-BQFCYCMXSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2csc(Cl)c2)C1 ZINC000968385742 613737071 /nfs/dbraw/zinc/73/70/71/613737071.db2.gz ARUOBELKUUJNTH-ZYHUDNBSSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C2CCCCCC2)C[C@@H]1C ZINC000947129596 613741565 /nfs/dbraw/zinc/74/15/65/613741565.db2.gz CQGJBBBVXSPQFW-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)c(C)c2)C[C@@H]1C ZINC000947999077 613751983 /nfs/dbraw/zinc/75/19/83/613751983.db2.gz UCEAYRTWZZGTAW-DOTOQJQBSA-N 1 1 286.419 3.072 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)c2cccc(C3CC3)c2)[C@@H](C)C1 ZINC000945221654 613754095 /nfs/dbraw/zinc/75/40/95/613754095.db2.gz KKZKILAKIFMUMQ-KBXCAEBGSA-N 1 1 298.430 3.190 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(Cl)c2)C[C@H]1C ZINC000947961557 613754164 /nfs/dbraw/zinc/75/41/64/613754164.db2.gz CHUOORYPLVBWHK-IUODEOHRSA-N 1 1 292.810 3.109 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C2CCCCCCC2)C1 ZINC000967310073 613767066 /nfs/dbraw/zinc/76/70/66/613767066.db2.gz GQIQJOWACHXNRX-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2CCC(C)(C)CC2)C1 ZINC000968693416 613771564 /nfs/dbraw/zinc/77/15/64/613771564.db2.gz ZDQCHMVNVYHEHC-GOEBONIOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)C=C2CCCCC2)C(C)(C)C1 ZINC000940615496 613780790 /nfs/dbraw/zinc/78/07/90/613780790.db2.gz OKZHLOPCTSVQKS-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C=C2CCCCC2)C[C@@H]1C ZINC000947080602 613781076 /nfs/dbraw/zinc/78/10/76/613781076.db2.gz MNBDZCGTNXVUJG-HOCLYGCPSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2coc3ccccc23)C[C@@H]1C ZINC000948093780 613798345 /nfs/dbraw/zinc/79/83/45/613798345.db2.gz AKDXTZWQHLZKTR-KBPBESRZSA-N 1 1 298.386 3.202 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc(C)c3)C[C@H]2C1 ZINC000979482237 613820177 /nfs/dbraw/zinc/82/01/77/613820177.db2.gz VUSHNODQUCIEMV-OKZBNKHCSA-N 1 1 298.430 3.011 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)CC2CCCCCC2)C(C)(C)C1 ZINC000975089359 613826578 /nfs/dbraw/zinc/82/65/78/613826578.db2.gz DPEAOXORIWTMEM-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CC[C@@H](Cc1ccccc1)Nc1cccc(C)[nH+]1 ZINC000804810161 617849750 /nfs/dbraw/zinc/84/97/50/617849750.db2.gz QMHJHBJCIUOLKS-INIZCTEOSA-N 1 1 250.345 3.437 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(CC)CC)C1 ZINC001021522771 618021738 /nfs/dbraw/zinc/02/17/38/618021738.db2.gz JBIMLPHBOMWFLK-SJORKVTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(C)cc2)C1 ZINC001021722103 618111372 /nfs/dbraw/zinc/11/13/72/618111372.db2.gz LEOIVNLTHIACKA-QZTJIDSGSA-N 1 1 298.430 3.108 20 30 CGEDMO C#CCC1([NH2+][C@H](C)c2nc(Cc3ccccc3)no2)CCC1 ZINC000933299306 618196183 /nfs/dbraw/zinc/19/61/83/618196183.db2.gz SEZFBEZAPSTIRN-CQSZACIVSA-N 1 1 295.386 3.257 20 30 CGEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000900417019 620786482 /nfs/dbraw/zinc/78/64/82/620786482.db2.gz DGMRZRLEXGKRDE-INIZCTEOSA-N 1 1 299.418 3.115 20 30 CGEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000900417019 620786485 /nfs/dbraw/zinc/78/64/85/620786485.db2.gz DGMRZRLEXGKRDE-INIZCTEOSA-N 1 1 299.418 3.115 20 30 CGEDMO COCCCC1(C[N@@H+](CCC#N)CC(C)C)CCC1 ZINC000891464194 618227762 /nfs/dbraw/zinc/22/77/62/618227762.db2.gz DIMKIXAKADXJRS-UHFFFAOYSA-N 1 1 266.429 3.455 20 30 CGEDMO N#Cc1ccc([C@@H]2C[N@@H+](CCc3cccs3)CCO2)cc1 ZINC000933625504 618264510 /nfs/dbraw/zinc/26/45/10/618264510.db2.gz VAEBIVHWDLEYML-KRWDZBQOSA-N 1 1 298.411 3.236 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1ccc(CC#N)cc1 ZINC000933771223 618322687 /nfs/dbraw/zinc/32/26/87/618322687.db2.gz QOXVFRCMAFPFRH-UHFFFAOYSA-N 1 1 281.384 3.318 20 30 CGEDMO C=CCOCC[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000933817991 618334987 /nfs/dbraw/zinc/33/49/87/618334987.db2.gz FKHNGVKEIMOWNA-UHFFFAOYSA-N 1 1 282.387 3.460 20 30 CGEDMO C[C@H]1CC(=NNc2cc[nH+]cc2)c2ccsc2S1 ZINC000779809041 618383177 /nfs/dbraw/zinc/38/31/77/618383177.db2.gz DCJUPZFGNGLOJY-VIFPVBQESA-N 1 1 275.402 3.266 20 30 CGEDMO C#CCCCCCCn1cc(C[NH2+]Cc2ccccc2)nn1 ZINC000900643582 620805521 /nfs/dbraw/zinc/80/55/21/620805521.db2.gz POGSGJOEOYTCGC-UHFFFAOYSA-N 1 1 296.418 3.152 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)cs1 ZINC000892122485 618543733 /nfs/dbraw/zinc/54/37/33/618543733.db2.gz WRYJMDUBVPCRFE-ZIAGYGMSSA-N 1 1 278.446 3.480 20 30 CGEDMO C[C@@H]1CSCCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000934298940 618583123 /nfs/dbraw/zinc/58/31/23/618583123.db2.gz DHKWGFQSZIYZQB-LLVKDONJSA-N 1 1 264.369 3.025 20 30 CGEDMO C[C@@H]1CSCCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000934298940 618583125 /nfs/dbraw/zinc/58/31/25/618583125.db2.gz DHKWGFQSZIYZQB-LLVKDONJSA-N 1 1 264.369 3.025 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000934458659 618622994 /nfs/dbraw/zinc/62/29/94/618622994.db2.gz BPAZNCLAKFVGLP-LSDHHAIUSA-N 1 1 294.439 3.284 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H](C)c1cnn(CC2CCC2)c1 ZINC000934553151 618644607 /nfs/dbraw/zinc/64/46/07/618644607.db2.gz BPFBFZPVNIGYRL-NSHDSACASA-N 1 1 253.777 3.086 20 30 CGEDMO C#CC[N@@H+](Cc1nc(-c2ccc(C)cc2)no1)C1CCCC1 ZINC000155755892 618705353 /nfs/dbraw/zinc/70/53/53/618705353.db2.gz QVQRNFUPRAXQLR-UHFFFAOYSA-N 1 1 295.386 3.423 20 30 CGEDMO C#CC[N@H+](Cc1nc(-c2ccc(C)cc2)no1)C1CCCC1 ZINC000155755892 618705355 /nfs/dbraw/zinc/70/53/55/618705355.db2.gz QVQRNFUPRAXQLR-UHFFFAOYSA-N 1 1 295.386 3.423 20 30 CGEDMO C#CC[N@H+](CC(=O)N(C)[C@@H](C)c1ccccc1)C1CCCC1 ZINC000155911737 618706791 /nfs/dbraw/zinc/70/67/91/618706791.db2.gz PLSTUNWQOPVQPM-INIZCTEOSA-N 1 1 298.430 3.084 20 30 CGEDMO C[N@H+]1CCCC12CCN(c1ccc(C#N)cc1Cl)CC2 ZINC000893092627 618994226 /nfs/dbraw/zinc/99/42/26/618994226.db2.gz PEUQVRGQRKRAET-UHFFFAOYSA-N 1 1 289.810 3.276 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000775183202 619003964 /nfs/dbraw/zinc/00/39/64/619003964.db2.gz KAQPSFROZOVVOE-LLVKDONJSA-N 1 1 273.767 3.184 20 30 CGEDMO Cc1nc(C)c(C[NH2+]Cc2cc(C#N)ccc2F)s1 ZINC000312106220 619024297 /nfs/dbraw/zinc/02/42/97/619024297.db2.gz WWLZLZKKAABZLX-UHFFFAOYSA-N 1 1 275.352 3.061 20 30 CGEDMO COc1ccc(C[NH2+][C@@H](CCC#N)c2ccccc2)o1 ZINC000893195108 619024659 /nfs/dbraw/zinc/02/46/59/619024659.db2.gz SISBTHYSGQJQLO-HNNXBMFYSA-N 1 1 270.332 3.423 20 30 CGEDMO C=C1CC(c2noc(C[N@H+](C)CCc3ccccc3)n2)C1 ZINC000924122758 619071931 /nfs/dbraw/zinc/07/19/31/619071931.db2.gz USZKQSBWIUUGRE-UHFFFAOYSA-N 1 1 283.375 3.178 20 30 CGEDMO C=C1CC(c2noc(C[N@@H+](C)CCc3ccccc3)n2)C1 ZINC000924122758 619071933 /nfs/dbraw/zinc/07/19/33/619071933.db2.gz USZKQSBWIUUGRE-UHFFFAOYSA-N 1 1 283.375 3.178 20 30 CGEDMO C[C@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)[C@@H]1CCO ZINC000930970975 619096759 /nfs/dbraw/zinc/09/67/59/619096759.db2.gz MHQMMBPHLXDELW-JKSUJKDBSA-N 1 1 278.440 3.333 20 30 CGEDMO Cc1ncc(CO[NH+]=C(N)CCCc2ccccc2)s1 ZINC000195306317 619148606 /nfs/dbraw/zinc/14/86/06/619148606.db2.gz JVAOXHXZOPIYKR-UHFFFAOYSA-N 1 1 289.404 3.263 20 30 CGEDMO C[C@H](c1cccnc1)[N@H+](C)Cc1csc(C#N)c1 ZINC000893539164 619210166 /nfs/dbraw/zinc/21/01/66/619210166.db2.gz DLHNIPAVISVASE-LLVKDONJSA-N 1 1 257.362 3.208 20 30 CGEDMO C[C@H](c1cccnc1)[N@@H+](C)Cc1csc(C#N)c1 ZINC000893539164 619210168 /nfs/dbraw/zinc/21/01/68/619210168.db2.gz DLHNIPAVISVASE-LLVKDONJSA-N 1 1 257.362 3.208 20 30 CGEDMO C[C@@H](C#N)C[NH2+]Cc1cc(Cl)cc(Br)c1 ZINC000893544043 619215977 /nfs/dbraw/zinc/21/59/77/619215977.db2.gz INWLOYSZQSYVMU-QMMMGPOBSA-N 1 1 287.588 3.352 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000932205301 619309871 /nfs/dbraw/zinc/30/98/71/619309871.db2.gz WCTRXUTZQQHCJE-QWHCGFSZSA-N 1 1 263.410 3.090 20 30 CGEDMO C[C@H](CC#N)[N@H+](C)Cc1cc2c(cccc2O)s1 ZINC000894002965 619349447 /nfs/dbraw/zinc/34/94/47/619349447.db2.gz YZRMHHBAULMVFW-SNVBAGLBSA-N 1 1 260.362 3.341 20 30 CGEDMO C[C@H](CC#N)[N@@H+](C)Cc1cc2c(cccc2O)s1 ZINC000894002965 619349451 /nfs/dbraw/zinc/34/94/51/619349451.db2.gz YZRMHHBAULMVFW-SNVBAGLBSA-N 1 1 260.362 3.341 20 30 CGEDMO CCC[C@]1(COC)CCC[N@H+]1Cc1csc(C#N)c1 ZINC000894077869 619368150 /nfs/dbraw/zinc/36/81/50/619368150.db2.gz VZNVHFNXPMEIPR-OAHLLOKOSA-N 1 1 278.421 3.401 20 30 CGEDMO N#CC1(C[NH2+]Cc2cc(Cl)cc(Br)c2)CC1 ZINC000894204785 619413748 /nfs/dbraw/zinc/41/37/48/619413748.db2.gz UAFUYNKURVYFKN-UHFFFAOYSA-N 1 1 299.599 3.496 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cs1 ZINC000894553627 619573914 /nfs/dbraw/zinc/57/39/14/619573914.db2.gz RSOTXQDMZYSCBC-HUUCEWRRSA-N 1 1 288.416 3.153 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cs1 ZINC000894553627 619573918 /nfs/dbraw/zinc/57/39/18/619573918.db2.gz RSOTXQDMZYSCBC-HUUCEWRRSA-N 1 1 288.416 3.153 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253085977 619707578 /nfs/dbraw/zinc/70/75/78/619707578.db2.gz AEQVECBEGIYEJA-MCIONIFRSA-N 1 1 257.805 3.145 20 30 CGEDMO C#CC[N@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000067399294 619718168 /nfs/dbraw/zinc/71/81/68/619718168.db2.gz DJAZTFJMAKCXDU-UHFFFAOYSA-N 1 1 279.383 3.094 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1cc2cccc(OC)c2o1 ZINC000054183614 619721381 /nfs/dbraw/zinc/72/13/81/619721381.db2.gz HCHWTJCFCVLALL-GFCCVEGCSA-N 1 1 258.321 3.223 20 30 CGEDMO NC(CCc1ccccc1)=[NH+]OCc1ccccc1F ZINC000049322546 619733014 /nfs/dbraw/zinc/73/30/14/619733014.db2.gz OJGOEQZQYRSBBV-UHFFFAOYSA-N 1 1 272.323 3.247 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H](OC3CCC3)C2)cs1 ZINC000895212525 619781879 /nfs/dbraw/zinc/78/18/79/619781879.db2.gz ZDPREDUNFSHAOR-CQSZACIVSA-N 1 1 276.405 3.153 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](C/C=C/c2cccc(F)c2)C1 ZINC000895229172 619785932 /nfs/dbraw/zinc/78/59/32/619785932.db2.gz SLCOIVUIEYNSOZ-IJJSQOHJSA-N 1 1 258.340 3.465 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000895313108 619804469 /nfs/dbraw/zinc/80/44/69/619804469.db2.gz CQWIQLDWBDENKE-CQSZACIVSA-N 1 1 270.376 3.137 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cc(O)cc(Cl)c2)C1 ZINC000895313106 619804515 /nfs/dbraw/zinc/80/45/15/619804515.db2.gz CQKXDQOWPNYNFA-NSHDSACASA-N 1 1 264.756 3.171 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2cc(O)cc(Cl)c2)C1 ZINC000895313106 619804517 /nfs/dbraw/zinc/80/45/17/619804517.db2.gz CQKXDQOWPNYNFA-NSHDSACASA-N 1 1 264.756 3.171 20 30 CGEDMO O[C@H]1CC[N@@H+](CC#Cc2ccccc2)[C@H](c2ccccc2)C1 ZINC000895705286 619873003 /nfs/dbraw/zinc/87/30/03/619873003.db2.gz XYFGZMWZIPAEQG-PMACEKPBSA-N 1 1 291.394 3.236 20 30 CGEDMO C[C@@H]1[C@H](Nc2cc(C#N)ccc2C(F)(F)F)CC[N@H+]1C ZINC000895740169 619878433 /nfs/dbraw/zinc/87/84/33/619878433.db2.gz LVWNXZIOKVVADI-BXKDBHETSA-N 1 1 283.297 3.082 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@H](C3CCOCC3)C2)c1 ZINC000897269404 620176015 /nfs/dbraw/zinc/17/60/15/620176015.db2.gz DVLHSOBBMCUBBM-HNNXBMFYSA-N 1 1 290.432 3.258 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)C2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000985811864 620241634 /nfs/dbraw/zinc/24/16/34/620241634.db2.gz VNDYBLNPTROLJK-GJZGRUSLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)[C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000985811870 620241728 /nfs/dbraw/zinc/24/17/28/620241728.db2.gz VNDYBLNPTROLJK-ZSHCYNCHSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1c2c(nn1C)CCCC2 ZINC000898244112 620496442 /nfs/dbraw/zinc/49/64/42/620496442.db2.gz CXXOEQVAFPLPCS-UHFFFAOYSA-N 1 1 261.413 3.087 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)c3cccc(C)c3)CCC[C@H]12 ZINC000989929641 620531994 /nfs/dbraw/zinc/53/19/94/620531994.db2.gz XSURSTBLJMSRMP-PKOBYXMFSA-N 1 1 298.430 3.298 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)c3ccsc3)CCC[C@H]12 ZINC000989940303 620532631 /nfs/dbraw/zinc/53/26/31/620532631.db2.gz RWNNDPTVONUGOK-HOCLYGCPSA-N 1 1 290.432 3.051 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC3(C)C)CCC[C@@H]12 ZINC000990275702 620540014 /nfs/dbraw/zinc/54/00/14/620540014.db2.gz HLRVIASWYSBQAE-HDMKZQKVSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)C3=CCCCCC3)CCC[C@H]12 ZINC000990415277 620544546 /nfs/dbraw/zinc/54/45/46/620544546.db2.gz GSQCBDYCWMTXMS-WMZOPIPTSA-N 1 1 288.435 3.176 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000898784388 620605038 /nfs/dbraw/zinc/60/50/38/620605038.db2.gz YUQMIYXFNUWNCQ-MRXNPFEDSA-N 1 1 290.451 3.256 20 30 CGEDMO Cc1sc(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)c(C#N)c1C ZINC000901290644 620855371 /nfs/dbraw/zinc/85/53/71/620855371.db2.gz XRUCXUVOOMFCQV-ZDUSSCGKSA-N 1 1 291.420 3.048 20 30 CGEDMO Cc1sc(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c(C#N)c1C ZINC000901290644 620855374 /nfs/dbraw/zinc/85/53/74/620855374.db2.gz XRUCXUVOOMFCQV-ZDUSSCGKSA-N 1 1 291.420 3.048 20 30 CGEDMO CN(C)C[C@H]([NH2+]Cc1csc(C#N)c1)c1ccccc1 ZINC000921501881 625450774 /nfs/dbraw/zinc/45/07/74/625450774.db2.gz BGYWKHZAQUNFGU-INIZCTEOSA-N 1 1 285.416 3.012 20 30 CGEDMO N#Cc1cc(Cl)cc(CO[NH+]=C(N)CC2CC2)c1 ZINC000902274753 621239120 /nfs/dbraw/zinc/23/91/20/621239120.db2.gz ULBFHBBJGIRQAC-UHFFFAOYSA-N 1 1 263.728 3.010 20 30 CGEDMO C=C(CN[C@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1 ZINC000902372157 621277586 /nfs/dbraw/zinc/27/75/86/621277586.db2.gz UYHTZSSHHMNWDR-INIZCTEOSA-N 1 1 258.409 3.068 20 30 CGEDMO CCC[N@@H+](CCO[C@@H](C)C#N)[C@H]1CCc2ccccc21 ZINC000801913985 621317496 /nfs/dbraw/zinc/31/74/96/621317496.db2.gz QAOWQYLMKKFHGW-YOEHRIQHSA-N 1 1 272.392 3.315 20 30 CGEDMO CC[C@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1c(C)noc1C ZINC000902888069 621486404 /nfs/dbraw/zinc/48/64/04/621486404.db2.gz PUNXIIWTYVMRDC-HZMBPMFUSA-N 1 1 284.363 3.360 20 30 CGEDMO COc1cccc(C2([NH2+][C@@H](C)c3cc(C#N)ccn3)CC2)c1 ZINC000902916322 621490615 /nfs/dbraw/zinc/49/06/15/621490615.db2.gz ODHMGHPSUSEXFA-ZDUSSCGKSA-N 1 1 293.370 3.302 20 30 CGEDMO CC[C@H]([NH2+]Cc1nccc(OC)c1F)c1cccc(C#N)c1 ZINC000903051705 621557263 /nfs/dbraw/zinc/55/72/63/621557263.db2.gz VTESYAWLXHQOAZ-AWEZNQCLSA-N 1 1 299.349 3.342 20 30 CGEDMO Cc1ncc([C@@H](C)[NH2+][C@H](C)c2cc(C#N)ccn2)s1 ZINC000903077447 621559223 /nfs/dbraw/zinc/55/92/23/621559223.db2.gz JLKWGJFPHHUHCG-NXEZZACHSA-N 1 1 272.377 3.130 20 30 CGEDMO COc1ccc([C@H]([NH2+]CC2(C#N)CC2)C(C)C)c(F)c1 ZINC000903106015 621579203 /nfs/dbraw/zinc/57/92/03/621579203.db2.gz KYGTUELIPPKTCJ-OAHLLOKOSA-N 1 1 276.355 3.425 20 30 CGEDMO N#CC1(C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000903106586 621580583 /nfs/dbraw/zinc/58/05/83/621580583.db2.gz RTUIUCKLSKTKKV-CYBMUJFWSA-N 1 1 295.308 3.371 20 30 CGEDMO C=CCC[C@@H](C)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903381282 621722384 /nfs/dbraw/zinc/72/23/84/621722384.db2.gz UTZIWUKAQMTVMK-ZBFHGGJFSA-N 1 1 261.413 3.019 20 30 CGEDMO CCC[N@H+](CCCCC1(C#N)CCC1)C1CCNCC1 ZINC000903742246 621801973 /nfs/dbraw/zinc/80/19/73/621801973.db2.gz WDKQVHTULMSXRM-UHFFFAOYSA-N 1 1 277.456 3.315 20 30 CGEDMO CCC[N@@H+](CCCCC1(C#N)CCC1)C1CCNCC1 ZINC000903742246 621801975 /nfs/dbraw/zinc/80/19/75/621801975.db2.gz WDKQVHTULMSXRM-UHFFFAOYSA-N 1 1 277.456 3.315 20 30 CGEDMO N#CC1(C[NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)CCC1 ZINC000905290190 622056913 /nfs/dbraw/zinc/05/69/13/622056913.db2.gz SXCBIDYHGIPKIK-ZDUSSCGKSA-N 1 1 299.201 3.310 20 30 CGEDMO Cc1cccc([C@H](O)C[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000905904550 622122611 /nfs/dbraw/zinc/12/26/11/622122611.db2.gz LXOXVEPPNURDHE-GOSISDBHSA-N 1 1 280.371 3.032 20 30 CGEDMO CCCCCCCC(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000811936494 631133775 /nfs/dbraw/zinc/13/37/75/631133775.db2.gz FMZHPQHFCDGOHQ-CQSZACIVSA-N 1 1 256.434 3.192 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@H+](CC)C[C@H](C)C#N)c1O ZINC000164225275 622821020 /nfs/dbraw/zinc/82/10/20/622821020.db2.gz RUYLAZBFICEQLG-CYBMUJFWSA-N 1 1 288.391 3.111 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@@H+](CC)C[C@H](C)C#N)c1O ZINC000164225275 622821025 /nfs/dbraw/zinc/82/10/25/622821025.db2.gz RUYLAZBFICEQLG-CYBMUJFWSA-N 1 1 288.391 3.111 20 30 CGEDMO C[C@@H]1C[C@@H](/N=C/c2ccccc2O)C[N@H+]1Cc1ccccc1 ZINC000158184245 623011343 /nfs/dbraw/zinc/01/13/43/623011343.db2.gz BKJNLFRMMKEYTI-RLTHDXANSA-N 1 1 294.398 3.474 20 30 CGEDMO CC[N@H+](C[C@H](C)C#N)Cn1cnc2cc(C)c(C)cc21 ZINC000171065692 623130792 /nfs/dbraw/zinc/13/07/92/623130792.db2.gz QUAMDRPTKNVHQC-GFCCVEGCSA-N 1 1 270.380 3.092 20 30 CGEDMO CC[N@@H+](C[C@H](C)C#N)Cn1cnc2cc(C)c(C)cc21 ZINC000171065692 623130810 /nfs/dbraw/zinc/13/08/10/623130810.db2.gz QUAMDRPTKNVHQC-GFCCVEGCSA-N 1 1 270.380 3.092 20 30 CGEDMO CC[C@H]([NH2+]Cc1ccc(OC)c(C#N)c1)c1nccs1 ZINC000087824420 623245474 /nfs/dbraw/zinc/24/54/74/623245474.db2.gz WJBFNGDTXJFDFE-ZDUSSCGKSA-N 1 1 287.388 3.264 20 30 CGEDMO C=CCCC[N@@H+](C)Cn1c2cc(Cl)ccc2oc1=O ZINC000172580130 623260299 /nfs/dbraw/zinc/26/02/99/623260299.db2.gz YIYSCQHHBLDGFT-UHFFFAOYSA-N 1 1 280.755 3.103 20 30 CGEDMO C=CCCC[N@H+](C)Cn1c2cc(Cl)ccc2oc1=O ZINC000172580130 623260308 /nfs/dbraw/zinc/26/03/08/623260308.db2.gz YIYSCQHHBLDGFT-UHFFFAOYSA-N 1 1 280.755 3.103 20 30 CGEDMO C=C1CCC(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](C(C)C)CC3)CC1 ZINC000992153602 623452490 /nfs/dbraw/zinc/45/24/90/623452490.db2.gz PNBGMWJJRYXSJQ-FUHWJXTLSA-N 1 1 290.451 3.254 20 30 CGEDMO Clc1cccc(N2CCCC2)c1C=[NH+]NC1CC1 ZINC000758126331 623492968 /nfs/dbraw/zinc/49/29/68/623492968.db2.gz FKQGSZMIUFVGND-UHFFFAOYSA-N 1 1 263.772 3.026 20 30 CGEDMO CC[N@@H+](CCSC)Cc1cc(Cl)ccc1OCC#N ZINC000830999782 623655381 /nfs/dbraw/zinc/65/53/81/623655381.db2.gz SZYCOBKJYKVCRI-UHFFFAOYSA-N 1 1 298.839 3.427 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C)c2)[C@@H]1C ZINC000992979399 623766521 /nfs/dbraw/zinc/76/65/21/623766521.db2.gz DMKQBNKWPGLZLB-DOTOQJQBSA-N 1 1 286.419 3.154 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@H]1CC1(Cl)Cl ZINC000914799265 623861608 /nfs/dbraw/zinc/86/16/08/623861608.db2.gz REPZJPLKXCXPLQ-GFCCVEGCSA-N 1 1 269.175 3.184 20 30 CGEDMO Cc1cc(C[NH2+]CCC#N)cc(C)c1OCc1ccccn1 ZINC000915227653 623923500 /nfs/dbraw/zinc/92/35/00/623923500.db2.gz XYDIEUIZZMUFEU-UHFFFAOYSA-N 1 1 295.386 3.281 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccoc2Cl)[C@H]1C ZINC000993218672 623980744 /nfs/dbraw/zinc/98/07/44/623980744.db2.gz QXMJGLWBIGNLRB-YPMHNXCESA-N 1 1 296.798 3.092 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccoc2Cl)[C@H]1C ZINC000993251896 623995038 /nfs/dbraw/zinc/99/50/38/623995038.db2.gz ACIQEMHPPXOTEO-DGCLKSJQSA-N 1 1 296.798 3.092 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)cs2)[C@@H]1C ZINC000993303931 624002458 /nfs/dbraw/zinc/00/24/58/624002458.db2.gz AHPPPZVFLMLGPU-UONOGXRCSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C2(C)CC(=C)C2)[C@@H]1C ZINC000993793484 624061761 /nfs/dbraw/zinc/06/17/61/624061761.db2.gz UJDUPPUZNBYVQU-HOTGVXAUSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](CCCC)[C@@H]2C)C1 ZINC000993795490 624064131 /nfs/dbraw/zinc/06/41/31/624064131.db2.gz XTVURKCAELJWSV-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO Cc1cccc(N[NH+]=Cc2ccc(N3CCOCC3)cc2)c1 ZINC000916255925 624127669 /nfs/dbraw/zinc/12/76/69/624127669.db2.gz GRBLNIRFIZSGLQ-UHFFFAOYSA-N 1 1 295.386 3.278 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1cccc(SC)c1)C(C)C ZINC000917070894 624233647 /nfs/dbraw/zinc/23/36/47/624233647.db2.gz JLBSUHMIVNGEJF-UHFFFAOYSA-N 1 1 278.421 3.243 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1cccc(SC)c1)C(C)C ZINC000917070894 624233651 /nfs/dbraw/zinc/23/36/51/624233651.db2.gz JLBSUHMIVNGEJF-UHFFFAOYSA-N 1 1 278.421 3.243 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2sccc2CC)[C@@H]1C ZINC000994483817 624239350 /nfs/dbraw/zinc/23/93/50/624239350.db2.gz IFNZWHGXEBDEMV-JSGCOSHPSA-N 1 1 292.448 3.079 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CO[C@@H](C)Cc1[nH]cc[nH+]1 ZINC000917396085 624266299 /nfs/dbraw/zinc/26/62/99/624266299.db2.gz WLUIWJUCQXGNFB-ZDUSSCGKSA-N 1 1 269.348 3.046 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C2(C)C(C)(C)C2(C)C)[C@@H]1C ZINC000994538425 624311086 /nfs/dbraw/zinc/31/10/86/624311086.db2.gz UJDHIMIPDRPRBY-UONOGXRCSA-N 1 1 292.467 3.214 20 30 CGEDMO CC[N@@H+](CCc1ccccn1)Cc1ccc(C#N)cc1 ZINC000920256699 624463396 /nfs/dbraw/zinc/46/33/96/624463396.db2.gz VIQAYXYLNKKWBY-UHFFFAOYSA-N 1 1 265.360 3.018 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000920489420 624505909 /nfs/dbraw/zinc/50/59/09/624505909.db2.gz FIVTTXVGWGQONL-UHFFFAOYSA-N 1 1 290.366 3.202 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183397345 625067639 /nfs/dbraw/zinc/06/76/39/625067639.db2.gz PBMMAPYMAVCESX-ZDUSSCGKSA-N 1 1 255.720 3.031 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183397345 625067646 /nfs/dbraw/zinc/06/76/46/625067646.db2.gz PBMMAPYMAVCESX-ZDUSSCGKSA-N 1 1 255.720 3.031 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2C)CC1 ZINC000998094103 625788833 /nfs/dbraw/zinc/78/88/33/625788833.db2.gz NBKDNFFYHIEWGL-IXDOHACOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC23CC3)CC1 ZINC000998143935 625792402 /nfs/dbraw/zinc/79/24/02/625792402.db2.gz QUWDNMYVUMTUQU-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCC(C)(C)C2)CC1 ZINC001001481241 625897836 /nfs/dbraw/zinc/89/78/36/625897836.db2.gz NMOFHDBCGHWPRY-MRXNPFEDSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(CC)C[N@@H+](C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000773455008 625899492 /nfs/dbraw/zinc/89/94/92/625899492.db2.gz VDRCKOUNLBSOFZ-OAHLLOKOSA-N 1 1 294.439 3.426 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC)CC1 ZINC001004540517 626064881 /nfs/dbraw/zinc/06/48/81/626064881.db2.gz RJKWNKLBJCMKIP-FUHWJXTLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)C2CC(C)(C)C2)CC1 ZINC001005343098 626089627 /nfs/dbraw/zinc/08/96/27/626089627.db2.gz NAVDPPDDLPASPH-UHFFFAOYSA-N 1 1 298.858 3.098 20 30 CGEDMO CCCCCCCC[N@@H+](C)C1CCN(OC)CC1 ZINC000839131767 626321932 /nfs/dbraw/zinc/32/19/32/626321932.db2.gz NQLMSJOZVSEIOO-UHFFFAOYSA-N 1 1 256.434 3.305 20 30 CGEDMO Fc1ccc(N=NC2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000839384068 626343225 /nfs/dbraw/zinc/34/32/25/626343225.db2.gz UMVKHZAOVHRQJQ-UHFFFAOYSA-N 1 1 283.350 3.500 20 30 CGEDMO CCC[N@@H+](CC(C)C)[C@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000839473642 626354565 /nfs/dbraw/zinc/35/45/65/626354565.db2.gz PWWBPZRNDZZZLA-INIZCTEOSA-N 1 1 288.391 3.140 20 30 CGEDMO CC[N@@H+](C[C@H](O)c1ccc(C)cc1)[C@@H](C)CCC#N ZINC000839498226 626356952 /nfs/dbraw/zinc/35/69/52/626356952.db2.gz HJFYIIVODYVVPS-HOCLYGCPSA-N 1 1 260.381 3.043 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@@H+]([C@H]2CCCCC2=NNCC(F)F)C1 ZINC000751529775 626394485 /nfs/dbraw/zinc/39/44/85/626394485.db2.gz VQXBVEJPBLCDSK-SCRDCRAPSA-N 1 1 287.398 3.118 20 30 CGEDMO CN(C)c1ncc(C=[NH+]N2CCC(C(C)(C)C)CC2)s1 ZINC000790182157 626450813 /nfs/dbraw/zinc/45/08/13/626450813.db2.gz XHMDTYPBWHBHHY-UHFFFAOYSA-N 1 1 294.468 3.301 20 30 CGEDMO Cc1ccc([N+](=O)[O-])cc1N=NC1C[N@@H+](C(C)C)C[C@@H]1C ZINC000754259554 626565361 /nfs/dbraw/zinc/56/53/61/626565361.db2.gz OLUSBUOICJAYGX-LBPRGKRZSA-N 1 1 290.367 3.031 20 30 CGEDMO C#CC[C@H]([NH2+][C@H](CC)c1ccn(C)n1)c1ccccc1 ZINC000756774426 626731522 /nfs/dbraw/zinc/73/15/22/626731522.db2.gz CVAHFRIHSRRMLN-CVEARBPZSA-N 1 1 267.376 3.225 20 30 CGEDMO C#CC[C@H]([NH2+]Cc1nc2ccccc2[nH]1)c1ccccc1 ZINC000756996985 626746167 /nfs/dbraw/zinc/74/61/67/626746167.db2.gz SQWIEZNGDHLBHX-HNNXBMFYSA-N 1 1 275.355 3.417 20 30 CGEDMO C#CC[C@H]([NH2+]Cc1nc2ccccc2n1C)c1ccccc1 ZINC000756996065 626746228 /nfs/dbraw/zinc/74/62/28/626746228.db2.gz NEBKJHGAIREQBX-INIZCTEOSA-N 1 1 289.382 3.428 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000839607436 626765291 /nfs/dbraw/zinc/76/52/91/626765291.db2.gz XZAXARPVHPQYPK-GXTWGEPZSA-N 1 1 253.773 3.183 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000839607436 626765293 /nfs/dbraw/zinc/76/52/93/626765293.db2.gz XZAXARPVHPQYPK-GXTWGEPZSA-N 1 1 253.773 3.183 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000839660870 626771782 /nfs/dbraw/zinc/77/17/82/626771782.db2.gz YSMGURCBNLFCJD-CQSZACIVSA-N 1 1 264.417 3.263 20 30 CGEDMO CCCCCCCC[N@@H+]1CC[C@@H](c2nc(C)n[nH]2)C1 ZINC000839660870 626771783 /nfs/dbraw/zinc/77/17/83/626771783.db2.gz YSMGURCBNLFCJD-CQSZACIVSA-N 1 1 264.417 3.263 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@@H](c2nc(C)n[nH]2)C1 ZINC000839660870 626771784 /nfs/dbraw/zinc/77/17/84/626771784.db2.gz YSMGURCBNLFCJD-CQSZACIVSA-N 1 1 264.417 3.263 20 30 CGEDMO CCCCCCCC[N@@H+]1CC[C@@H](c2n[nH]c(C)n2)C1 ZINC000839660870 626771786 /nfs/dbraw/zinc/77/17/86/626771786.db2.gz YSMGURCBNLFCJD-CQSZACIVSA-N 1 1 264.417 3.263 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@@H](c2n[nH]c(C)n2)C1 ZINC000839660870 626771788 /nfs/dbraw/zinc/77/17/88/626771788.db2.gz YSMGURCBNLFCJD-CQSZACIVSA-N 1 1 264.417 3.263 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC000839680283 626778336 /nfs/dbraw/zinc/77/83/36/626778336.db2.gz UBZTVESWHWOIKZ-QGZVFWFLSA-N 1 1 294.439 3.428 20 30 CGEDMO C=CC[N@H+](Cc1ccc(O[C@@H](C)C#N)cc1)C1CC1 ZINC000757924073 626814734 /nfs/dbraw/zinc/81/47/34/626814734.db2.gz VNLQYFPRJQQMCV-ZDUSSCGKSA-N 1 1 256.349 3.128 20 30 CGEDMO c1ccc(C[N@H+]2C[C@@H]3CCCC(=NNC4CC4)[C@@H]3C2)cc1 ZINC000758127082 626829065 /nfs/dbraw/zinc/82/90/65/626829065.db2.gz KODLTKKBZGBEGN-DOTOQJQBSA-N 1 1 283.419 3.027 20 30 CGEDMO N#Cc1ccc(-c2ccn(C[N@H+]3CCC4(CCC4)C3)n2)cc1 ZINC000758393889 626841322 /nfs/dbraw/zinc/84/13/22/626841322.db2.gz PLFOSCCVZIYKLD-UHFFFAOYSA-N 1 1 292.386 3.255 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCC1=NOCC(F)F ZINC000758912017 626866065 /nfs/dbraw/zinc/86/60/65/626866065.db2.gz SQFGKACAGVOODV-GFCCVEGCSA-N 1 1 282.334 3.166 20 30 CGEDMO C#CC[N@@H+]1Cc2cc(OC)ccc2C[C@H]1c1ccccc1 ZINC000759467433 626901203 /nfs/dbraw/zinc/90/12/03/626901203.db2.gz YWUWBXWCSVQWPF-IBGZPJMESA-N 1 1 277.367 3.428 20 30 CGEDMO C#CC[N@H+]1Cc2cc(OC)ccc2C[C@H]1c1ccccc1 ZINC000759467433 626901204 /nfs/dbraw/zinc/90/12/04/626901204.db2.gz YWUWBXWCSVQWPF-IBGZPJMESA-N 1 1 277.367 3.428 20 30 CGEDMO C#CC[N@@H+]1Cc2cc(OC)ccc2C[C@@H]1c1ccccc1 ZINC000759467434 626901247 /nfs/dbraw/zinc/90/12/47/626901247.db2.gz YWUWBXWCSVQWPF-LJQANCHMSA-N 1 1 277.367 3.428 20 30 CGEDMO C#CC[N@H+]1Cc2cc(OC)ccc2C[C@@H]1c1ccccc1 ZINC000759467434 626901248 /nfs/dbraw/zinc/90/12/48/626901248.db2.gz YWUWBXWCSVQWPF-LJQANCHMSA-N 1 1 277.367 3.428 20 30 CGEDMO N#CCC[N@@H+](C[C@H](O)c1ccc(Cl)c(F)c1)CC1CC1 ZINC000759849830 626926828 /nfs/dbraw/zinc/92/68/28/626926828.db2.gz AXHADXXXTKCLKO-HNNXBMFYSA-N 1 1 296.773 3.138 20 30 CGEDMO N#CCC[N@H+](C[C@H](O)c1ccc(Cl)c(F)c1)CC1CC1 ZINC000759849830 626926829 /nfs/dbraw/zinc/92/68/29/626926829.db2.gz AXHADXXXTKCLKO-HNNXBMFYSA-N 1 1 296.773 3.138 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759868281 626928403 /nfs/dbraw/zinc/92/84/03/626928403.db2.gz UOKTTWZHAYKFPB-ZDUSSCGKSA-N 1 1 257.736 3.020 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@H](C)[S@@](=O)CC1 ZINC000759867721 626928592 /nfs/dbraw/zinc/92/85/92/626928592.db2.gz JMEFTDDVQAOSMB-YOEHRIQHSA-N 1 1 259.459 3.190 20 30 CGEDMO CC(C)CC1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000760925577 627002408 /nfs/dbraw/zinc/00/24/08/627002408.db2.gz LLROPKCLVVKZES-UHFFFAOYSA-N 1 1 299.418 3.255 20 30 CGEDMO C[C@H]1CC(N=Nc2ccc(OC(F)(F)F)cc2)C[N@H+]1C ZINC000761805023 627061677 /nfs/dbraw/zinc/06/16/77/627061677.db2.gz VYDJWRDXDAUGNW-VIFPVBQESA-N 1 1 287.285 3.077 20 30 CGEDMO C#CC[N@@H+](Cc1cc(Br)ccc1OC)C1CC1 ZINC000763955026 627187885 /nfs/dbraw/zinc/18/78/85/627187885.db2.gz GVVPZUUUKKFIMZ-UHFFFAOYSA-N 1 1 294.192 3.055 20 30 CGEDMO C#CC[N@H+](Cc1cc(Br)ccc1OC)C1CC1 ZINC000763955026 627187887 /nfs/dbraw/zinc/18/78/87/627187887.db2.gz GVVPZUUUKKFIMZ-UHFFFAOYSA-N 1 1 294.192 3.055 20 30 CGEDMO C#CC[N@@H+](Cc1cnn(-c2ccc(Cl)cc2)c1)C1CC1 ZINC000764676277 627217618 /nfs/dbraw/zinc/21/76/18/627217618.db2.gz IYYDXFNZZSNWRS-UHFFFAOYSA-N 1 1 285.778 3.123 20 30 CGEDMO C#CC[N@H+](Cc1cnn(-c2ccc(Cl)cc2)c1)C1CC1 ZINC000764676277 627217621 /nfs/dbraw/zinc/21/76/21/627217621.db2.gz IYYDXFNZZSNWRS-UHFFFAOYSA-N 1 1 285.778 3.123 20 30 CGEDMO C#CCOc1ccc([C@H](C)NCCC[N@H+](C)C(C)C)cc1 ZINC000764806607 627225453 /nfs/dbraw/zinc/22/54/53/627225453.db2.gz OKOOZCXIDPBDKU-INIZCTEOSA-N 1 1 288.435 3.080 20 30 CGEDMO FC(F)(F)c1ccccc1ON=C1CC[N@H+]2CCC[C@H]12 ZINC000765583547 627260978 /nfs/dbraw/zinc/26/09/78/627260978.db2.gz HJNKBUGSKRUJIO-GFCCVEGCSA-N 1 1 284.281 3.308 20 30 CGEDMO C=C(Cl)C[N@H+](CCC)C[C@H]1COc2ccccc2O1 ZINC000765908392 627277780 /nfs/dbraw/zinc/27/77/80/627277780.db2.gz MMXSQXDCVLMWSX-ZDUSSCGKSA-N 1 1 281.783 3.291 20 30 CGEDMO C=C(Cl)C[N@@H+](CCC)C[C@H]1COc2ccccc2O1 ZINC000765908392 627277785 /nfs/dbraw/zinc/27/77/85/627277785.db2.gz MMXSQXDCVLMWSX-ZDUSSCGKSA-N 1 1 281.783 3.291 20 30 CGEDMO C#CCCC[N@H+](C)CCOc1ccc(Br)cc1 ZINC000766896093 627367801 /nfs/dbraw/zinc/36/78/01/627367801.db2.gz WOWYESATPRGTEN-UHFFFAOYSA-N 1 1 296.208 3.173 20 30 CGEDMO C#CCCC[N@H+](CC(C)C)C[C@@H](O)c1ccc(F)cc1 ZINC000766902730 627369541 /nfs/dbraw/zinc/36/95/41/627369541.db2.gz MXMUUMYTBYLKRR-QGZVFWFLSA-N 1 1 277.383 3.231 20 30 CGEDMO CC(=[NH+]Nc1cccc(C#N)c1)c1ccc(N(C)C)cc1 ZINC000767362951 627401669 /nfs/dbraw/zinc/40/16/69/627401669.db2.gz PWCUUYYKYPSLRT-UHFFFAOYSA-N 1 1 278.359 3.460 20 30 CGEDMO C#CCOc1ccc(C[N@H+](C)Cc2ccccc2OC)cc1 ZINC000768163880 627465248 /nfs/dbraw/zinc/46/52/48/627465248.db2.gz SQYDXGDJUYSZLU-UHFFFAOYSA-N 1 1 295.382 3.339 20 30 CGEDMO C#CCOc1ccc(C[N@H+]([C@H](C)C2CC2)C2CC2)cc1 ZINC000768533406 627484448 /nfs/dbraw/zinc/48/44/48/627484448.db2.gz WPLAQKPIQQWAET-CQSZACIVSA-N 1 1 269.388 3.462 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccc(OC(F)F)c(OCC)c1 ZINC000769111995 627523051 /nfs/dbraw/zinc/52/30/51/627523051.db2.gz VAQIBNWLEKCDJD-UHFFFAOYSA-N 1 1 283.318 3.142 20 30 CGEDMO C#CC[N@H+](CC)Cc1cc(C)c(C)cc1OC(F)F ZINC000769112103 627523319 /nfs/dbraw/zinc/52/33/19/627523319.db2.gz YBMJWMDWMJBPRY-UHFFFAOYSA-N 1 1 267.319 3.360 20 30 CGEDMO C#CCOc1ccc(CNc2[nH+]c(C)ccc2OC)cc1 ZINC000769408684 627550019 /nfs/dbraw/zinc/55/00/19/627550019.db2.gz QKAXBECWDLSLTC-UHFFFAOYSA-N 1 1 282.343 3.023 20 30 CGEDMO C#CC[N@@H+](CCCC1CCOCC1)C1CCCCC1 ZINC000769456038 627554758 /nfs/dbraw/zinc/55/47/58/627554758.db2.gz BEMMDFWPIDVICS-UHFFFAOYSA-N 1 1 263.425 3.461 20 30 CGEDMO C#CC[N@H+](CCCC1CCOCC1)Cc1ccc(F)cc1 ZINC000769460822 627555388 /nfs/dbraw/zinc/55/53/88/627555388.db2.gz XRENOQDVLZNRAY-UHFFFAOYSA-N 1 1 289.394 3.468 20 30 CGEDMO C[C@@H](C#N)C[N@H+](Cc1ccc(N(C)CCC#N)cc1)C1CC1 ZINC000769546274 627564451 /nfs/dbraw/zinc/56/44/51/627564451.db2.gz VYNLZADNYSZZQT-HNNXBMFYSA-N 1 1 296.418 3.161 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](Cc1ccc(N(C)CCC#N)cc1)C1CC1 ZINC000769546274 627564452 /nfs/dbraw/zinc/56/44/52/627564452.db2.gz VYNLZADNYSZZQT-HNNXBMFYSA-N 1 1 296.418 3.161 20 30 CGEDMO C[C@@H]1C[N@H+](C2CC2)CC1N=Nc1c(F)cccc1Cl ZINC000769831336 627582442 /nfs/dbraw/zinc/58/24/42/627582442.db2.gz ZKHDENSYQWFVIM-SECBINFHSA-N 1 1 281.762 3.361 20 30 CGEDMO C=C(Br)C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000769863781 627584540 /nfs/dbraw/zinc/58/45/40/627584540.db2.gz IFTQEBMSTIAKGF-QMMMGPOBSA-N 1 1 272.108 3.169 20 30 CGEDMO C=C(Br)C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000769863781 627584541 /nfs/dbraw/zinc/58/45/41/627584541.db2.gz IFTQEBMSTIAKGF-QMMMGPOBSA-N 1 1 272.108 3.169 20 30 CGEDMO Cc1ccc(F)c(C[N@@H+](C)C[C@@H](O)c2ccc(C#N)cc2)c1 ZINC000769906927 627587804 /nfs/dbraw/zinc/58/78/04/627587804.db2.gz DZTCDHBRLJNHSZ-GOSISDBHSA-N 1 1 298.361 3.171 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)CCCc1ccccc1Br ZINC000769960446 627593134 /nfs/dbraw/zinc/59/31/34/627593134.db2.gz BVUGHAFAJZLDRU-GFCCVEGCSA-N 1 1 280.209 3.335 20 30 CGEDMO C#CCOc1ccc(C[N@H+](C)[C@H](C)C2(C)CC2)cc1 ZINC000770289399 627611873 /nfs/dbraw/zinc/61/18/73/627611873.db2.gz SETSMXJARMWWIO-CQSZACIVSA-N 1 1 257.377 3.319 20 30 CGEDMO C=CCCCCC[N@@H+](C)CN1Cc2ccc(F)cc2C1=O ZINC000771619512 627723045 /nfs/dbraw/zinc/72/30/45/627723045.db2.gz RDOHYJNEAXRLSV-UHFFFAOYSA-N 1 1 290.382 3.417 20 30 CGEDMO C=CCCCCC[N@H+](C)CN1Cc2ccc(F)cc2C1=O ZINC000771619512 627723048 /nfs/dbraw/zinc/72/30/48/627723048.db2.gz RDOHYJNEAXRLSV-UHFFFAOYSA-N 1 1 290.382 3.417 20 30 CGEDMO C#CC[C@@H]([NH2+]Cc1nc2c(s1)CCC2)c1ccccc1 ZINC000771856532 627736372 /nfs/dbraw/zinc/73/63/72/627736372.db2.gz BVECZMJLFNUBHJ-CQSZACIVSA-N 1 1 282.412 3.486 20 30 CGEDMO C#CCOc1ccccc1C[N@H+](C)Cc1cccc(O)c1 ZINC000771935096 627746509 /nfs/dbraw/zinc/74/65/09/627746509.db2.gz LEQZMOCRGWHICM-UHFFFAOYSA-N 1 1 281.355 3.036 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+](C)Cc1cccc(O)c1 ZINC000771935096 627746512 /nfs/dbraw/zinc/74/65/12/627746512.db2.gz LEQZMOCRGWHICM-UHFFFAOYSA-N 1 1 281.355 3.036 20 30 CGEDMO C#CCCCCC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000773276528 627870378 /nfs/dbraw/zinc/87/03/78/627870378.db2.gz WDVVLHZRAKFCNP-SJLPKXTDSA-N 1 1 298.430 3.132 20 30 CGEDMO CC(C)C[N@H+](CCC#N)C[C@@H](O)c1ccc(F)cc1Cl ZINC000774581683 628006952 /nfs/dbraw/zinc/00/69/52/628006952.db2.gz YGVWWLCIDZYSDR-OAHLLOKOSA-N 1 1 298.789 3.384 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)C[C@@H](O)c1ccc(F)cc1Cl ZINC000774581683 628006955 /nfs/dbraw/zinc/00/69/55/628006955.db2.gz YGVWWLCIDZYSDR-OAHLLOKOSA-N 1 1 298.789 3.384 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(N(CC)CC)c(F)c1 ZINC000775185244 628069092 /nfs/dbraw/zinc/06/90/92/628069092.db2.gz ZQIYTOXLBRQEGW-ZDUSSCGKSA-N 1 1 262.372 3.125 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000775183244 628069494 /nfs/dbraw/zinc/06/94/94/628069494.db2.gz KXCCKASVEYYHKS-CYBMUJFWSA-N 1 1 273.376 3.095 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(C)c(C)cc1OC(F)F ZINC000775182655 628069507 /nfs/dbraw/zinc/06/95/07/628069507.db2.gz FFKYWMPURGMXBT-GFCCVEGCSA-N 1 1 267.319 3.358 20 30 CGEDMO C#C[C@H]([NH2+]Cc1c(Cl)oc2ccccc21)[C@H]1CCCO1 ZINC000775343275 628084765 /nfs/dbraw/zinc/08/47/65/628084765.db2.gz VTVXWHRFWHGAJO-DZGCQCFKSA-N 1 1 289.762 3.357 20 30 CGEDMO C[NH+](C)[C@@H]1CCC[C@@H](N[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000775397016 628090083 /nfs/dbraw/zinc/09/00/83/628090083.db2.gz RUEPWSSFHNEZMZ-LMMKCTJWSA-N 1 1 297.446 3.398 20 30 CGEDMO C#CC[N@H+](Cc1ccc2c(c1)ncn2C)C1CCCCC1 ZINC000775665082 628122323 /nfs/dbraw/zinc/12/23/23/628122323.db2.gz WWRPFAFFMKEFRP-UHFFFAOYSA-N 1 1 281.403 3.341 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CC[C@H]2C(C)C)cc1 ZINC000775765010 628134217 /nfs/dbraw/zinc/13/42/17/628134217.db2.gz MXGMHBOZJZILRT-KRWDZBQOSA-N 1 1 257.377 3.319 20 30 CGEDMO Cc1cc2ccccc2nc1N=NC1C[N@@H+](C2CC2)C[C@H]1C ZINC000776786082 628232330 /nfs/dbraw/zinc/23/23/30/628232330.db2.gz PHTMYNZYFKOXCN-CYBMUJFWSA-N 1 1 294.402 3.425 20 30 CGEDMO C=CC[C@H](C(=O)OCCn1cc[nH+]c1C)c1ccccc1 ZINC000778417232 628349869 /nfs/dbraw/zinc/34/98/69/628349869.db2.gz GDKSJKWQNIWTRS-INIZCTEOSA-N 1 1 284.359 3.095 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)C[C@H](O)c1ccccc1C ZINC000778995987 628381876 /nfs/dbraw/zinc/38/18/76/628381876.db2.gz HYVKGJLJGIDYDE-SFHVURJKSA-N 1 1 285.387 3.352 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)cc1 ZINC000779151230 628390534 /nfs/dbraw/zinc/39/05/34/628390534.db2.gz VWQOBJXSLLMJBH-RHSMWYFYSA-N 1 1 275.367 3.269 20 30 CGEDMO CC(=NNC1=[NH+]C[C@@H](C)N1)c1ccc(-c2ccccc2)cc1 ZINC000779802178 628433020 /nfs/dbraw/zinc/43/30/20/628433020.db2.gz BTBJHWJSJVJVIR-CYBMUJFWSA-N 1 1 292.386 3.015 20 30 CGEDMO C[C@H]1CCC(=NNc2cc[nH+]cc2)c2ccccc21 ZINC000779808490 628433487 /nfs/dbraw/zinc/43/34/87/628433487.db2.gz KFCIWEOKXIGMCP-LBPRGKRZSA-N 1 1 251.333 3.217 20 30 CGEDMO CC(=NNc1cc[nH+]cc1)c1cc2c(s1)CCCC2 ZINC000779809786 628434000 /nfs/dbraw/zinc/43/40/00/628434000.db2.gz UUJPOYNIWIUSCT-UHFFFAOYSA-N 1 1 271.389 3.280 20 30 CGEDMO C#CCCCCCC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000780378853 628485138 /nfs/dbraw/zinc/48/51/38/628485138.db2.gz RVJMQLGKNYGIBY-CALCHBBNSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CC[N@@H+](CN1C[C@](C)(C2CCCC2)CC1=O)C1CC1 ZINC000780448487 628490640 /nfs/dbraw/zinc/49/06/40/628490640.db2.gz OGTMGPKNEFWDLJ-QGZVFWFLSA-N 1 1 276.424 3.023 20 30 CGEDMO C=CC[N@H+](CN1C[C@](C)(C2CCCC2)CC1=O)C1CC1 ZINC000780448487 628490642 /nfs/dbraw/zinc/49/06/42/628490642.db2.gz OGTMGPKNEFWDLJ-QGZVFWFLSA-N 1 1 276.424 3.023 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@H]1CCO[C@@H](CC)C1 ZINC000780758896 628515289 /nfs/dbraw/zinc/51/52/89/628515289.db2.gz ZJXVCKFUCQJFRO-WMZOPIPTSA-N 1 1 289.394 3.466 20 30 CGEDMO CCCNN=C1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000781122816 628538045 /nfs/dbraw/zinc/53/80/45/628538045.db2.gz NOTSEKNZTLFINJ-DLBZAZTESA-N 1 1 285.435 3.274 20 30 CGEDMO CCCNN=C1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000781122824 628538055 /nfs/dbraw/zinc/53/80/55/628538055.db2.gz NOTSEKNZTLFINJ-IRXDYDNUSA-N 1 1 285.435 3.274 20 30 CGEDMO CCN(CC)c1ccc(C[N@@H+](C)CCCC#N)cc1 ZINC000781619178 628580466 /nfs/dbraw/zinc/58/04/66/628580466.db2.gz PAPIIUBLLYIGAB-UHFFFAOYSA-N 1 1 259.397 3.268 20 30 CGEDMO C#CCCC[N@H+]1[C@@H](C)Cc2cc(OC)ccc2[C@@H]1C ZINC000782097394 628615350 /nfs/dbraw/zinc/61/53/50/628615350.db2.gz JTOCKRZLHIUFIB-KBPBESRZSA-N 1 1 257.377 3.416 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)c1ccc(F)cc1 ZINC000782185123 628621513 /nfs/dbraw/zinc/62/15/13/628621513.db2.gz WXOQKFMOZVKDPM-SCLBCKFNSA-N 1 1 298.361 3.424 20 30 CGEDMO C=C(Br)C[N@@H+]1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000782502037 628650592 /nfs/dbraw/zinc/65/05/92/628650592.db2.gz DPCBZQQGKRIOLJ-ZMLRMANQSA-N 1 1 258.203 3.406 20 30 CGEDMO N#Cc1ccc(CO[NH+]=C(N)CC2CC2)c(Cl)c1 ZINC000783987175 628762755 /nfs/dbraw/zinc/76/27/55/628762755.db2.gz YVXINNDXIKADAF-UHFFFAOYSA-N 1 1 263.728 3.010 20 30 CGEDMO C=CCn1c(C)nn(C[N@@H+]2CC[C@H](C(C)(C)C)C2)c1=S ZINC000784029518 628768830 /nfs/dbraw/zinc/76/88/30/628768830.db2.gz DCRLWJDTQUPNJB-ZDUSSCGKSA-N 1 1 294.468 3.234 20 30 CGEDMO C=CCn1c(C)nn(C[N@H+]2CC[C@H](C(C)(C)C)C2)c1=S ZINC000784029518 628768831 /nfs/dbraw/zinc/76/88/31/628768831.db2.gz DCRLWJDTQUPNJB-ZDUSSCGKSA-N 1 1 294.468 3.234 20 30 CGEDMO C=C(Cl)C[N@@H+](Cc1ccccc1)C[C@@](C)(O)CC ZINC000784398626 628813082 /nfs/dbraw/zinc/81/30/82/628813082.db2.gz SUWCUXHHYSLELA-HNNXBMFYSA-N 1 1 267.800 3.402 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](C[C@H]2CCc3ccccc32)C1 ZINC000784451565 628814444 /nfs/dbraw/zinc/81/44/44/628814444.db2.gz IBUDYPBNGJZWOV-NVXWUHKLSA-N 1 1 254.377 3.342 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)CCc1cc(Cl)ccc1Cl ZINC000785832912 628890987 /nfs/dbraw/zinc/89/09/87/628890987.db2.gz JWQTUUZEANVJPR-JTQLQIEISA-N 1 1 256.176 3.489 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CCC(=O)OCc1ccccc1 ZINC000785996540 628906754 /nfs/dbraw/zinc/90/67/54/628906754.db2.gz DHJCRURQOKIEQW-INIZCTEOSA-N 1 1 273.376 3.160 20 30 CGEDMO C=CCC[N@@H+](C)Cn1c2ccccc2n(C)c1=S ZINC000786102427 628914275 /nfs/dbraw/zinc/91/42/75/628914275.db2.gz PJFWGKILCBVXNH-UHFFFAOYSA-N 1 1 261.394 3.175 20 30 CGEDMO C=CCC[N@H+](C)Cn1c2ccccc2n(C)c1=S ZINC000786102427 628914276 /nfs/dbraw/zinc/91/42/76/628914276.db2.gz PJFWGKILCBVXNH-UHFFFAOYSA-N 1 1 261.394 3.175 20 30 CGEDMO C=CC[N@H+](CN1C[C@H](CC(C)(C)C)CC1=O)C(C)C ZINC000787216653 629002763 /nfs/dbraw/zinc/00/27/63/629002763.db2.gz LWXBXSQALGPPHI-AWEZNQCLSA-N 1 1 266.429 3.125 20 30 CGEDMO C=CC[N@@H+](CN1C[C@H](CC(C)(C)C)CC1=O)C(C)C ZINC000787216653 629002766 /nfs/dbraw/zinc/00/27/66/629002766.db2.gz LWXBXSQALGPPHI-AWEZNQCLSA-N 1 1 266.429 3.125 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000787998202 629038660 /nfs/dbraw/zinc/03/86/60/629038660.db2.gz YEEIIRPKEHSYLJ-UHFFFAOYSA-N 1 1 296.201 3.485 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000787998202 629038661 /nfs/dbraw/zinc/03/86/61/629038661.db2.gz YEEIIRPKEHSYLJ-UHFFFAOYSA-N 1 1 296.201 3.485 20 30 CGEDMO C#C[C@@H](C)OC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000805887195 629125288 /nfs/dbraw/zinc/12/52/88/629125288.db2.gz UFZNBYKNBKQBQZ-CQSZACIVSA-N 1 1 273.376 3.095 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000789424900 629132630 /nfs/dbraw/zinc/13/26/30/629132630.db2.gz LLZUVLGRAHLKGS-INIZCTEOSA-N 1 1 286.419 3.225 20 30 CGEDMO CC[C@H](C)NN=C1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000790181969 629189815 /nfs/dbraw/zinc/18/98/15/629189815.db2.gz BALOQUFHYOOBEZ-GJZGRUSLSA-N 1 1 273.424 3.273 20 30 CGEDMO CC(=[NH+][N-]c1[nH+]ccn1C)c1cc(Cl)c(N)c(Cl)c1 ZINC000790302885 629202162 /nfs/dbraw/zinc/20/21/62/629202162.db2.gz ZFAXHIFUWSCTQZ-UHFFFAOYSA-N 1 1 298.177 3.145 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1ccsc1C(F)(F)F)[C@H]1CCCO1 ZINC000862332898 629344692 /nfs/dbraw/zinc/34/46/92/629344692.db2.gz ZDJWRSUSJMLJSE-GHMZBOCLSA-N 1 1 289.322 3.037 20 30 CGEDMO CCCCCCCCC[N@H+]1CCC[C@@H](C(=O)NC)C1 ZINC000792222126 629350669 /nfs/dbraw/zinc/35/06/69/629350669.db2.gz QFHKVHVQGXFCQT-OAHLLOKOSA-N 1 1 268.445 3.195 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@H](n2cncn2)C1 ZINC000792296886 629354629 /nfs/dbraw/zinc/35/46/29/629354629.db2.gz KWDSOQSWNXVEKR-HNNXBMFYSA-N 1 1 264.417 3.276 20 30 CGEDMO C#CCCC[N@H+](C)Cc1ccc(F)cc1Br ZINC000792457777 629360671 /nfs/dbraw/zinc/36/06/71/629360671.db2.gz KDFSIRYZFWJPRO-UHFFFAOYSA-N 1 1 284.172 3.433 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(OC)c(OC3CC3)c2)C1 ZINC000862400256 629363410 /nfs/dbraw/zinc/36/34/10/629363410.db2.gz RJRDGPXBXUEHAH-HNNXBMFYSA-N 1 1 299.414 3.472 20 30 CGEDMO C#CCC[N@H+](CCOC)C[C@@H](C)c1ccc(C)cc1 ZINC000862417412 629368851 /nfs/dbraw/zinc/36/88/51/629368851.db2.gz BVUIOYYUAVMRAY-MRXNPFEDSA-N 1 1 259.393 3.070 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(OCC)ccc2O)C1 ZINC000862441712 629374161 /nfs/dbraw/zinc/37/41/61/629374161.db2.gz UNWVFMOCYYFPBT-CYBMUJFWSA-N 1 1 261.365 3.189 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(C)ccc2OC(F)F)C1 ZINC000862444494 629378024 /nfs/dbraw/zinc/37/80/24/629378024.db2.gz AWCGAEBMXDLAJY-CYBMUJFWSA-N 1 1 279.330 3.442 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2cnc(-c3ccco3)s2)C1 ZINC000862446763 629378986 /nfs/dbraw/zinc/37/89/86/629378986.db2.gz DEWISXMNJNPIQI-LBPRGKRZSA-N 1 1 272.373 3.248 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000862448473 629381044 /nfs/dbraw/zinc/38/10/44/629381044.db2.gz ZGHLKTXXRAKUOP-GFCCVEGCSA-N 1 1 263.768 3.199 20 30 CGEDMO C[C@]12CC[N@@H+](CCCCC#N)C[C@H]1C2(Cl)Cl ZINC000792901836 629390838 /nfs/dbraw/zinc/39/08/38/629390838.db2.gz GCNIPWCYZVYSHK-MNOVXSKESA-N 1 1 261.196 3.196 20 30 CGEDMO CC(C[C@H](C)CCNC(=O)OC(C)(C)C)=[NH+]n1cccn1 ZINC000863163810 629487001 /nfs/dbraw/zinc/48/70/01/629487001.db2.gz PTRJQCATGTUTOE-GFCCVEGCSA-N 1 1 294.399 3.048 20 30 CGEDMO CC(C)C[C@H](C=NN1CC[NH+](C)CC1)c1ccccc1 ZINC000794446032 629544093 /nfs/dbraw/zinc/54/40/93/629544093.db2.gz UYRXDEPJFOZQSC-QGZVFWFLSA-N 1 1 273.424 3.050 20 30 CGEDMO C#CC[C@H]([NH2+]Cc1oc(CC)nc1C)c1ccccc1 ZINC000794462198 629544798 /nfs/dbraw/zinc/54/47/98/629544798.db2.gz PYWYDDYLLHBELB-HNNXBMFYSA-N 1 1 268.360 3.400 20 30 CGEDMO CC(C)[N@@H+](CCO[C@H](C)C#N)[C@H](C)c1ccccc1 ZINC000794694195 629568270 /nfs/dbraw/zinc/56/82/70/629568270.db2.gz ZSYKKUOMQNIULK-HUUCEWRRSA-N 1 1 260.381 3.387 20 30 CGEDMO N#CC1(C[C@@H](O)CNc2ccc([NH+]3CCCCC3)cc2)CC1 ZINC000863557171 629605040 /nfs/dbraw/zinc/60/50/40/629605040.db2.gz KVPZWPHPVKLXAS-QGZVFWFLSA-N 1 1 299.418 3.144 20 30 CGEDMO C#CCOc1ccc(C[NH2+][C@@H](CC)c2nccs2)cc1 ZINC000119831606 629750606 /nfs/dbraw/zinc/75/06/06/629750606.db2.gz UCBVURAAANQGNI-HNNXBMFYSA-N 1 1 286.400 3.396 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1C[C@H](C)CC[C@H]1c1ccccc1 ZINC000796436877 629781522 /nfs/dbraw/zinc/78/15/22/629781522.db2.gz ZEDIZKMDVCTCIC-VYDXJSESSA-N 1 1 272.392 3.388 20 30 CGEDMO FC1(F)CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000796537462 629797373 /nfs/dbraw/zinc/79/73/73/629797373.db2.gz AJSDPYLJVUXFNJ-UHFFFAOYSA-N 1 1 269.722 3.423 20 30 CGEDMO CC(C)(C)[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000796574438 629801507 /nfs/dbraw/zinc/80/15/07/629801507.db2.gz DVIIIVYFOWDILT-IRXDYDNUSA-N 1 1 286.419 3.350 20 30 CGEDMO CC1=C(C)C[N@@H+](CCCOc2ccc(C#N)cc2)CC1 ZINC000796589148 629803487 /nfs/dbraw/zinc/80/34/87/629803487.db2.gz CVOUHZLGILLUQW-UHFFFAOYSA-N 1 1 270.376 3.369 20 30 CGEDMO CCc1[nH+]c(C)cn1CC#Cc1ccc(Cl)cc1 ZINC000865393085 630096258 /nfs/dbraw/zinc/09/62/58/630096258.db2.gz IYMSZMMXBFBZHR-UHFFFAOYSA-N 1 1 258.752 3.459 20 30 CGEDMO C=CCC[C@@H]([NH2+]Cc1cn(CCC)nn1)c1ccccc1 ZINC000865505615 630156814 /nfs/dbraw/zinc/15/68/14/630156814.db2.gz IELFBGXRBDXCAO-QGZVFWFLSA-N 1 1 284.407 3.485 20 30 CGEDMO N#CCC1(C[NH2+]Cc2c(Cl)cncc2Cl)CC1 ZINC000865550558 630183643 /nfs/dbraw/zinc/18/36/43/630183643.db2.gz AGDMLJGRAINBHC-UHFFFAOYSA-N 1 1 270.163 3.172 20 30 CGEDMO Cc1cc(Cl)nc(C[NH2+]Cc2ccc(C#N)cc2F)c1 ZINC000800283394 630261805 /nfs/dbraw/zinc/26/18/05/630261805.db2.gz PCEWDGXKYHUBEC-UHFFFAOYSA-N 1 1 289.741 3.344 20 30 CGEDMO CCCCCCCC[N@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000800456416 630280984 /nfs/dbraw/zinc/28/09/84/630280984.db2.gz FDMHZBNQRLHSBI-HNNXBMFYSA-N 1 1 289.485 3.246 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000801911182 630363867 /nfs/dbraw/zinc/36/38/67/630363867.db2.gz VKWXXVAWCQWCSE-AWEZNQCLSA-N 1 1 268.360 3.200 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](CCc1ccccc1)C1CCCC1 ZINC000801914347 630364638 /nfs/dbraw/zinc/36/46/38/630364638.db2.gz CMZCILSBRPLVGI-MRXNPFEDSA-N 1 1 286.419 3.402 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000801913596 630365189 /nfs/dbraw/zinc/36/51/89/630365189.db2.gz XZMYNYNWHVPHLZ-JTQLQIEISA-N 1 1 287.190 3.354 20 30 CGEDMO CC(C)C[N@@H+](CCO[C@H](C)C#N)CCc1ccc(F)cc1 ZINC000801915178 630365531 /nfs/dbraw/zinc/36/55/31/630365531.db2.gz KKRBWPPEBHEZJZ-OAHLLOKOSA-N 1 1 292.398 3.255 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000801924180 630367447 /nfs/dbraw/zinc/36/74/47/630367447.db2.gz RUQNVOPWHPJBMJ-HUUCEWRRSA-N 1 1 290.432 3.029 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000801924179 630367591 /nfs/dbraw/zinc/36/75/91/630367591.db2.gz RUQNVOPWHPJBMJ-GJZGRUSLSA-N 1 1 290.432 3.029 20 30 CGEDMO CC[C@@H](Cc1ccccc1)[N@@H+](CC)CCO[C@@H](C)C#N ZINC000801927708 630368924 /nfs/dbraw/zinc/36/89/24/630368924.db2.gz ZAQTWOILFUSZIX-RDJZCZTQSA-N 1 1 274.408 3.258 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@H]1CCCc1ccccc1 ZINC000801929381 630368943 /nfs/dbraw/zinc/36/89/43/630368943.db2.gz LSDZGQBJEAGXBP-SJLPKXTDSA-N 1 1 286.419 3.402 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000801934798 630370212 /nfs/dbraw/zinc/37/02/12/630370212.db2.gz RAVIVHLTVSVRLU-BLLLJJGKSA-N 1 1 294.345 3.420 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000801934798 630370215 /nfs/dbraw/zinc/37/02/15/630370215.db2.gz RAVIVHLTVSVRLU-BLLLJJGKSA-N 1 1 294.345 3.420 20 30 CGEDMO C=CCN1CCN(C[N@H+]2CCCC[C@@H]2c2ccccc2)C1=O ZINC000840047240 630530789 /nfs/dbraw/zinc/53/07/89/630530789.db2.gz GHNIZMXJKOHUEA-QGZVFWFLSA-N 1 1 299.418 3.095 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)CN1C[C@@H](C)[C@H](C)C1=O ZINC000840059630 630559307 /nfs/dbraw/zinc/55/93/07/630559307.db2.gz BEKXBWBQFHSBLE-CVEARBPZSA-N 1 1 286.419 3.137 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)CN1C[C@@H](C)[C@H](C)C1=O ZINC000840059630 630559311 /nfs/dbraw/zinc/55/93/11/630559311.db2.gz BEKXBWBQFHSBLE-CVEARBPZSA-N 1 1 286.419 3.137 20 30 CGEDMO CCC[N@@H+](CCC(=O)C(C)C)Cc1ccc(C#N)cc1 ZINC000808709340 630667506 /nfs/dbraw/zinc/66/75/06/630667506.db2.gz SAWBZARYYFOPIW-UHFFFAOYSA-N 1 1 272.392 3.385 20 30 CGEDMO C#C[C@@H]([NH2+]C[C@H]1CCC=CO1)c1ccc(Cl)cc1F ZINC000809698643 630785495 /nfs/dbraw/zinc/78/54/95/630785495.db2.gz FHHFMYKQKDSGFM-IUODEOHRSA-N 1 1 279.742 3.436 20 30 CGEDMO C#C[C@@H]([NH2+]C[C@@H]1CCC=CO1)c1ccc(Cl)cc1F ZINC000809698644 630785644 /nfs/dbraw/zinc/78/56/44/630785644.db2.gz FHHFMYKQKDSGFM-SWLSCSKDSA-N 1 1 279.742 3.436 20 30 CGEDMO C#C[C@H]([NH2+]C[C@@H]1CCC=CO1)c1ccc(Cl)cc1F ZINC000809698646 630785683 /nfs/dbraw/zinc/78/56/83/630785683.db2.gz FHHFMYKQKDSGFM-WFASDCNBSA-N 1 1 279.742 3.436 20 30 CGEDMO C#CC[N@H+](CCCc1ccc(C)nc1)Cc1ccccc1 ZINC000809716589 630789709 /nfs/dbraw/zinc/78/97/09/630789709.db2.gz QCOZVNJKJGMQKP-UHFFFAOYSA-N 1 1 278.399 3.458 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)Cc1ccc(N(C)CC)nc1 ZINC000809717884 630790189 /nfs/dbraw/zinc/79/01/89/630790189.db2.gz NYWDAFAGSZZDHQ-UHFFFAOYSA-N 1 1 293.414 3.173 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(N(C)CC)nc1 ZINC000809717884 630790193 /nfs/dbraw/zinc/79/01/93/630790193.db2.gz NYWDAFAGSZZDHQ-UHFFFAOYSA-N 1 1 293.414 3.173 20 30 CGEDMO CN(Cc1cc(C#N)cs1)Cc1ccc(C[NH+](C)C)cc1 ZINC000809738699 630795496 /nfs/dbraw/zinc/79/54/96/630795496.db2.gz FKURUYVLBRXTET-UHFFFAOYSA-N 1 1 299.443 3.313 20 30 CGEDMO C#CCCCCC[N@@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000878281304 635443610 /nfs/dbraw/zinc/44/36/10/635443610.db2.gz ZGGRKAOMYFYJNG-MRXNPFEDSA-N 1 1 288.439 3.232 20 30 CGEDMO C=C[C@H](CC(=O)O[C@@H](C)Cn1cc[nH+]c1C)c1ccccc1 ZINC000810617624 630907651 /nfs/dbraw/zinc/90/76/51/630907651.db2.gz CIZAFSVHSZPWIU-GOEBONIOSA-N 1 1 298.386 3.483 20 30 CGEDMO C=CCC[C@@H](C)OC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810651571 630917159 /nfs/dbraw/zinc/91/71/59/630917159.db2.gz NUYLFVZFHCHPHX-IUODEOHRSA-N 1 1 271.376 3.097 20 30 CGEDMO C=C[C@](C)(CC)COC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810709210 630931623 /nfs/dbraw/zinc/93/16/23/630931623.db2.gz UGVDFYNHUSHEDW-CVEARBPZSA-N 1 1 285.403 3.344 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000811510737 631079009 /nfs/dbraw/zinc/07/90/09/631079009.db2.gz NVSVMSQUEMERPA-ROUUACIJSA-N 1 1 299.414 3.088 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000811510745 631080541 /nfs/dbraw/zinc/08/05/41/631080541.db2.gz NYYKQQVJLWAGEZ-MSOLQXFVSA-N 1 1 299.414 3.088 20 30 CGEDMO CC(=NOC1CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000812235347 631226557 /nfs/dbraw/zinc/22/65/57/631226557.db2.gz SWDVAJJZJPMIMJ-INIZCTEOSA-N 1 1 272.392 3.454 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)Cc2ccns2)cc1 ZINC000876537213 634853090 /nfs/dbraw/zinc/85/30/90/634853090.db2.gz MZQPETYRYOSVLL-UHFFFAOYSA-N 1 1 274.389 3.340 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)Cc2ccns2)cc1 ZINC000876537213 634853092 /nfs/dbraw/zinc/85/30/92/634853092.db2.gz MZQPETYRYOSVLL-UHFFFAOYSA-N 1 1 274.389 3.340 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H](CSC)C2)cc1 ZINC000814179034 631540482 /nfs/dbraw/zinc/54/04/82/631540482.db2.gz NOVMRWVRIUSFNR-MRXNPFEDSA-N 1 1 259.418 3.243 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000814666464 631619666 /nfs/dbraw/zinc/61/96/66/631619666.db2.gz HCTNBOSZXAUGPQ-OCCSQVGLSA-N 1 1 278.783 3.058 20 30 CGEDMO CC(=[NH+]Nc1cc(C)cc(C)c1)c1ccc(N)nc1 ZINC000814753572 631634664 /nfs/dbraw/zinc/63/46/64/631634664.db2.gz QLPCIVNLOSCNRA-UHFFFAOYSA-N 1 1 254.337 3.117 20 30 CGEDMO CCC(=[NH+]NCc1ccc(F)c(F)c1)c1cccc(N)c1 ZINC000814808887 631645154 /nfs/dbraw/zinc/64/51/54/631645154.db2.gz UNQQBCZMYNPHHB-UHFFFAOYSA-N 1 1 289.329 3.451 20 30 CGEDMO CCC(=[NH+]N[C@H]1CCSC1)c1ccc(Cl)c(N)c1 ZINC000814933440 631688260 /nfs/dbraw/zinc/68/82/60/631688260.db2.gz OFNFVUFOMBGTJJ-JTQLQIEISA-N 1 1 283.828 3.131 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(C(C)C)nc1CC)C1CC1 ZINC000815092454 631715041 /nfs/dbraw/zinc/71/50/41/631715041.db2.gz HJOHPWHBMNKHTB-UHFFFAOYSA-N 1 1 256.393 3.365 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C(C)C)nc1CC)C1CC1 ZINC000815092454 631715046 /nfs/dbraw/zinc/71/50/46/631715046.db2.gz HJOHPWHBMNKHTB-UHFFFAOYSA-N 1 1 256.393 3.365 20 30 CGEDMO Cc1cc(C[N@@H+]2CCC[C@](C)(C#N)C2)ccc1N(C)C ZINC000815089225 631715374 /nfs/dbraw/zinc/71/53/74/631715374.db2.gz BYFHBFZNDAGMTE-QGZVFWFLSA-N 1 1 271.408 3.187 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@](C)(C#N)C2)ccc1N(C)C ZINC000815089225 631715378 /nfs/dbraw/zinc/71/53/78/631715378.db2.gz BYFHBFZNDAGMTE-QGZVFWFLSA-N 1 1 271.408 3.187 20 30 CGEDMO CC(C)(C#N)CCOC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000815445224 631781376 /nfs/dbraw/zinc/78/13/76/631781376.db2.gz UPEAQKQTNLIIGK-OAHLLOKOSA-N 1 1 292.423 3.267 20 30 CGEDMO C#CC[N@@H+](C)CCC[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000815652075 631813323 /nfs/dbraw/zinc/81/33/23/631813323.db2.gz NUWPILRQPFWWKC-HNNXBMFYSA-N 1 1 294.826 3.041 20 30 CGEDMO C#CC[N@H+](C)CCC[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000815652075 631813324 /nfs/dbraw/zinc/81/33/24/631813324.db2.gz NUWPILRQPFWWKC-HNNXBMFYSA-N 1 1 294.826 3.041 20 30 CGEDMO C#CC[N@H+](C)CCCN[C@@H](c1ccc(C)o1)C1CCCC1 ZINC000815651937 631813711 /nfs/dbraw/zinc/81/37/11/631813711.db2.gz JELNQNPTGIBPRJ-GOSISDBHSA-N 1 1 288.435 3.364 20 30 CGEDMO C#CC[N@@H+](C)CCCN[C@@H](c1ccc(C)o1)C1CCCC1 ZINC000815651937 631813714 /nfs/dbraw/zinc/81/37/14/631813714.db2.gz JELNQNPTGIBPRJ-GOSISDBHSA-N 1 1 288.435 3.364 20 30 CGEDMO CC[N@H+](CCC#N)Cc1ccc2ccccc2c1O ZINC000816484037 631988802 /nfs/dbraw/zinc/98/88/02/631988802.db2.gz NRLQFZCUTAJJKU-UHFFFAOYSA-N 1 1 254.333 3.281 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1ccc2ccccc2c1O ZINC000816484037 631988806 /nfs/dbraw/zinc/98/88/06/631988806.db2.gz NRLQFZCUTAJJKU-UHFFFAOYSA-N 1 1 254.333 3.281 20 30 CGEDMO Nc1ccc2c(c1)C(=[NH+]O[C@@H]1CCCCO1)CCCC2 ZINC000817326940 632121034 /nfs/dbraw/zinc/12/10/34/632121034.db2.gz YMQGGWLLUNFWKS-MRXNPFEDSA-N 1 1 274.364 3.243 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)C[C@@H]1CCC2(CCC2)O1 ZINC000879432961 635787666 /nfs/dbraw/zinc/78/76/66/635787666.db2.gz RDCMMNVRMIYBLW-KRWDZBQOSA-N 1 1 284.403 3.134 20 30 CGEDMO C#CC[N@H+](C)CCCNC(=O)[C@H](CCC)CC1CCCC1 ZINC000818592825 632338976 /nfs/dbraw/zinc/33/89/76/632338976.db2.gz ASLQASNIRPDWSL-QGZVFWFLSA-N 1 1 292.467 3.054 20 30 CGEDMO CN(C)c1[nH+]cc(/C=C\C(=O)c2cccc(Cl)c2)n1C ZINC000821028851 632714560 /nfs/dbraw/zinc/71/45/60/632714560.db2.gz XQZRBARXIXGWDC-FPLPWBNLSA-N 1 1 289.766 3.036 20 30 CGEDMO CCOc1cccc(/C=N/CCC[N@@H+](C)CC(C)C)c1O ZINC000844271499 635852351 /nfs/dbraw/zinc/85/23/51/635852351.db2.gz PDFUSSKFEWVGFN-LDADJPATSA-N 1 1 292.423 3.188 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000880053700 635905817 /nfs/dbraw/zinc/90/58/17/635905817.db2.gz QOKKLOVJKUMJQM-RISCZKNCSA-N 1 1 298.308 3.272 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000880053700 635905821 /nfs/dbraw/zinc/90/58/21/635905821.db2.gz QOKKLOVJKUMJQM-RISCZKNCSA-N 1 1 298.308 3.272 20 30 CGEDMO N#CCCC[C@@H]([NH3+])c1nc([C@H]2CCc3ccccc3C2)no1 ZINC000822845257 633029425 /nfs/dbraw/zinc/02/94/25/633029425.db2.gz JZRNCQYKQBUWAE-LSDHHAIUSA-N 1 1 296.374 3.036 20 30 CGEDMO Cc1csc(C[NH2+][C@H](C)c2cccc(C#N)c2O)c1 ZINC000866367587 633105034 /nfs/dbraw/zinc/10/50/34/633105034.db2.gz LBOOWEZQJORNDH-LLVKDONJSA-N 1 1 272.373 3.485 20 30 CGEDMO C=CCC[N@H+](C)Cc1c[nH]c(C(=O)OCc2ccccc2)c1 ZINC000824251274 633218030 /nfs/dbraw/zinc/21/80/30/633218030.db2.gz ZOFDZYMQZWRTQZ-UHFFFAOYSA-N 1 1 298.386 3.380 20 30 CGEDMO CC[N@H+](CCC#N)Cc1cc(Cl)c(C)cc1O ZINC000824555182 633253752 /nfs/dbraw/zinc/25/37/52/633253752.db2.gz CIHGPZXVQHJCSQ-UHFFFAOYSA-N 1 1 252.745 3.090 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1cc(Cl)c(C)cc1O ZINC000824555182 633253755 /nfs/dbraw/zinc/25/37/55/633253755.db2.gz CIHGPZXVQHJCSQ-UHFFFAOYSA-N 1 1 252.745 3.090 20 30 CGEDMO C#CC[N@H+](Cc1c(C2CCC2)cnn1C)C1CCCCC1 ZINC000824632877 633266917 /nfs/dbraw/zinc/26/69/17/633266917.db2.gz SFLCGFDSOXNFKF-UHFFFAOYSA-N 1 1 285.435 3.456 20 30 CGEDMO C[C@H](c1ccco1)[N@H+](C)Cc1cc(C#N)ccc1N(C)C ZINC000876573020 634860039 /nfs/dbraw/zinc/86/00/39/634860039.db2.gz SFRXQQOBYBPEPJ-CYBMUJFWSA-N 1 1 283.375 3.410 20 30 CGEDMO C[C@H](c1ccco1)[N@@H+](C)Cc1cc(C#N)ccc1N(C)C ZINC000876573020 634860042 /nfs/dbraw/zinc/86/00/42/634860042.db2.gz SFRXQQOBYBPEPJ-CYBMUJFWSA-N 1 1 283.375 3.410 20 30 CGEDMO CC(C)[C@H](C)[N@@H+](C)Cc1cc(C#N)cnc1Cl ZINC000876573798 634860336 /nfs/dbraw/zinc/86/03/36/634860336.db2.gz CJVJHQZIJVBHDI-JTQLQIEISA-N 1 1 251.761 3.083 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000824893139 633302826 /nfs/dbraw/zinc/30/28/26/633302826.db2.gz LNEFFQZPKNJWBN-MOPGFXCFSA-N 1 1 295.426 3.449 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000825340846 633347823 /nfs/dbraw/zinc/34/78/23/633347823.db2.gz RKOZQNIKEQWKGU-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000826946185 633445269 /nfs/dbraw/zinc/44/52/69/633445269.db2.gz FUROEJYAFMEEGA-CYBMUJFWSA-N 1 1 261.365 3.189 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)cc1 ZINC000827537390 633496872 /nfs/dbraw/zinc/49/68/72/633496872.db2.gz AEBPAYCYUYLDEJ-UHFFFAOYSA-N 1 1 281.399 3.059 20 30 CGEDMO CC(C)CN(CCC#N)C[C@@H]1CCCC[N@H+]1C(C)C ZINC000827873056 633528568 /nfs/dbraw/zinc/52/85/68/633528568.db2.gz MKWZCJAQPITPPS-INIZCTEOSA-N 1 1 265.445 3.121 20 30 CGEDMO CCCC[N@@H+](Cc1ccccc1O)Cc1ccncc1C#N ZINC000828469402 633617332 /nfs/dbraw/zinc/61/73/32/633617332.db2.gz JDOPMTNLSDNZCM-UHFFFAOYSA-N 1 1 295.386 3.461 20 30 CGEDMO CC(C)(C)C#CC(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC000888576280 633773832 /nfs/dbraw/zinc/77/38/32/633773832.db2.gz QOMSEFYLMYXYGN-UHFFFAOYSA-N 1 1 285.391 3.060 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](CC(=O)Nc2c(C)cccc2CC)C1 ZINC000829778561 633783054 /nfs/dbraw/zinc/78/30/54/633783054.db2.gz DYNFJLWRWZBQAZ-MRXNPFEDSA-N 1 1 298.430 3.231 20 30 CGEDMO C#CC[C@H]1CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000829784449 633783957 /nfs/dbraw/zinc/78/39/57/633783957.db2.gz KIIDLSRUQWGTNB-KGLIPLIRSA-N 1 1 272.348 3.391 20 30 CGEDMO C#CC[C@H]1CCC[N@H+]([C@H](C)c2cn(-c3ccccc3)nn2)C1 ZINC000829789407 633785169 /nfs/dbraw/zinc/78/51/69/633785169.db2.gz VGMQNQSETLDDHW-CVEARBPZSA-N 1 1 294.402 3.064 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](CCC(=O)c2ccc(F)cc2)C1 ZINC000829809981 633793262 /nfs/dbraw/zinc/79/32/62/633793262.db2.gz JTUAEKDYOIQVKP-AWEZNQCLSA-N 1 1 273.351 3.134 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccn3)nc2)C1 ZINC000829815864 633796745 /nfs/dbraw/zinc/79/67/45/633796745.db2.gz VBDAYSRECXDYMF-INIZCTEOSA-N 1 1 291.398 3.379 20 30 CGEDMO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000829975780 633814277 /nfs/dbraw/zinc/81/42/77/633814277.db2.gz TXWJIBFSHBQPID-BXUZGUMPSA-N 1 1 298.308 3.117 20 30 CGEDMO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H](C)[N@@H+]1CCCC#N ZINC000830182965 633837314 /nfs/dbraw/zinc/83/73/14/633837314.db2.gz MXPHACGKTARCHQ-MGPQQGTHSA-N 1 1 295.427 3.008 20 30 CGEDMO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H](C)[N@H+]1CCCC#N ZINC000830182965 633837316 /nfs/dbraw/zinc/83/73/16/633837316.db2.gz MXPHACGKTARCHQ-MGPQQGTHSA-N 1 1 295.427 3.008 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1[C@H](C)C[C@@H](c2ccccc2)[C@@H]1C ZINC000830440658 633862504 /nfs/dbraw/zinc/86/25/04/633862504.db2.gz RWOUORYQAGUAON-PNBKFKSVSA-N 1 1 272.392 3.182 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000831592293 633981213 /nfs/dbraw/zinc/98/12/13/633981213.db2.gz AKAPYPPDHDSYPP-CYBMUJFWSA-N 1 1 278.193 3.262 20 30 CGEDMO C=C(Cl)C[C@H]([NH3+])c1nc([C@@H](C)SCC)no1 ZINC000872174494 634077225 /nfs/dbraw/zinc/07/72/25/634077225.db2.gz DTDFCKFYONQETN-SFYZADRCSA-N 1 1 261.778 3.026 20 30 CGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ccc(C)cc2OC)no1 ZINC000872180787 634080573 /nfs/dbraw/zinc/08/05/73/634080573.db2.gz BGQJEGAAVGQIDQ-LLVKDONJSA-N 1 1 293.754 3.196 20 30 CGEDMO CC(C)(C)OC(=O)N1CC[N@@H+](CCCC#N)C(C)(C)CC1 ZINC000872293062 634104036 /nfs/dbraw/zinc/10/40/36/634104036.db2.gz DZLDPWPFEKFCKE-UHFFFAOYSA-N 1 1 295.427 3.012 20 30 CGEDMO CSc1nnc(SC)n1[NH+]=C[C@@H]1CCCC[C@@H]1C ZINC000872417562 634140704 /nfs/dbraw/zinc/14/07/04/634140704.db2.gz FFZUKOLRRIBOLC-UWVGGRQHSA-N 1 1 284.454 3.382 20 30 CGEDMO c1ccc(C[N@H+]2CCC(=NNC3CC3)[C@H]3CCC[C@H]32)cc1 ZINC000834968255 634297554 /nfs/dbraw/zinc/29/75/54/634297554.db2.gz GHIHJJVDTFIJGU-SJLPKXTDSA-N 1 1 283.419 3.169 20 30 CGEDMO CCOc1ccc(N[NH+]=C2CCCc3nc(N)ccc32)cc1 ZINC000834983936 634303751 /nfs/dbraw/zinc/30/37/51/634303751.db2.gz XXPKMTJFFUOXNY-UHFFFAOYSA-N 1 1 296.374 3.215 20 30 CGEDMO CC[N@H+](C/C=C\c1ccc(N(C)C)cc1)C[C@H](C)C#N ZINC000835025968 634324030 /nfs/dbraw/zinc/32/40/30/634324030.db2.gz PFNPEUOQUBRHMU-IDTUSYRASA-N 1 1 271.408 3.247 20 30 CGEDMO CC[N@@H+](C/C=C\c1ccc(N(C)C)cc1)C[C@H](C)C#N ZINC000835025968 634324032 /nfs/dbraw/zinc/32/40/32/634324032.db2.gz PFNPEUOQUBRHMU-IDTUSYRASA-N 1 1 271.408 3.247 20 30 CGEDMO C#CCCCCCC[N@H+]1CCC[C@@H]1CN1CCCC1 ZINC000876644439 634874493 /nfs/dbraw/zinc/87/44/93/634874493.db2.gz GNLQBVUYXPYLFM-QGZVFWFLSA-N 1 1 262.441 3.130 20 30 CGEDMO C#CCCCCCCN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000876644439 634874497 /nfs/dbraw/zinc/87/44/97/634874497.db2.gz GNLQBVUYXPYLFM-QGZVFWFLSA-N 1 1 262.441 3.130 20 30 CGEDMO C#CCCCCCC[N@@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000876807458 634903591 /nfs/dbraw/zinc/90/35/91/634903591.db2.gz DZKYVXXJHROMIP-DLBZAZTESA-N 1 1 273.424 3.350 20 30 CGEDMO C#CCCCCCC[N@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000876817113 634904861 /nfs/dbraw/zinc/90/48/61/634904861.db2.gz XYXOANFPGNCJKS-CQSZACIVSA-N 1 1 290.373 3.139 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCCC[C@H]1c1nc(C)no1 ZINC000877524485 635072496 /nfs/dbraw/zinc/07/24/96/635072496.db2.gz XFESMDIEXJEGMY-HNNXBMFYSA-N 1 1 275.396 3.489 20 30 CGEDMO C#C[C@H]([NH2+]Cc1nc2cc(F)ccc2o1)C(C)(C)C ZINC000877534626 635076333 /nfs/dbraw/zinc/07/63/33/635076333.db2.gz LQRCDZRXJFSWOH-ZDUSSCGKSA-N 1 1 260.312 3.104 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000877540275 635080056 /nfs/dbraw/zinc/08/00/56/635080056.db2.gz VGSGOBIXJBXMNY-YJBOKZPZSA-N 1 1 284.403 3.396 20 30 CGEDMO CC[N@@H+](Cc1cc(C#N)cnc1Cl)CC(C)(C)C ZINC000877544759 635082569 /nfs/dbraw/zinc/08/25/69/635082569.db2.gz WMYXHIMUQUQKNQ-UHFFFAOYSA-N 1 1 265.788 3.475 20 30 CGEDMO Cc1ccoc1C[N@@H+](C)Cc1cc(C#N)ccc1N(C)C ZINC000877546936 635082967 /nfs/dbraw/zinc/08/29/67/635082967.db2.gz YHCRHELGDBVQIW-UHFFFAOYSA-N 1 1 283.375 3.158 20 30 CGEDMO Cc1ccoc1C[N@H+](C)Cc1cc(C#N)ccc1N(C)C ZINC000877546936 635082971 /nfs/dbraw/zinc/08/29/71/635082971.db2.gz YHCRHELGDBVQIW-UHFFFAOYSA-N 1 1 283.375 3.158 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC000877604283 635107873 /nfs/dbraw/zinc/10/78/73/635107873.db2.gz KMIAGDCOPMYSSE-UHFFFAOYSA-N 1 1 277.799 3.072 20 30 CGEDMO C#CCCCCCC[N@H+]1CCc2cc(Cl)nnc2C1 ZINC000877604283 635107874 /nfs/dbraw/zinc/10/78/74/635107874.db2.gz KMIAGDCOPMYSSE-UHFFFAOYSA-N 1 1 277.799 3.072 20 30 CGEDMO N#Cc1cnc(Cl)c(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c1 ZINC000877614118 635113608 /nfs/dbraw/zinc/11/36/08/635113608.db2.gz GKDCXUZNHYQFRN-ZDUSSCGKSA-N 1 1 297.736 3.228 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C ZINC000877621386 635117168 /nfs/dbraw/zinc/11/71/68/635117168.db2.gz VQUQNFTZGYJIEG-CYBMUJFWSA-N 1 1 297.443 3.161 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cnc3c(F)cccc3c2)C1 ZINC000877651097 635132313 /nfs/dbraw/zinc/13/23/13/635132313.db2.gz RUDNOSDCVQZDJH-CYBMUJFWSA-N 1 1 268.335 3.219 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)CC1CCSCC1 ZINC000877704299 635155197 /nfs/dbraw/zinc/15/51/97/635155197.db2.gz GUXSTFSAKLKRLF-UHFFFAOYSA-N 1 1 274.433 3.176 20 30 CGEDMO CCc1nc(C[N@H+](C)CCc2cccc(C#N)c2)cs1 ZINC000877704313 635155382 /nfs/dbraw/zinc/15/53/82/635155382.db2.gz LRPYJKXAHWZFQC-UHFFFAOYSA-N 1 1 285.416 3.252 20 30 CGEDMO CCc1nc(C[N@@H+](C)CCc2cccc(C#N)c2)cs1 ZINC000877704313 635155384 /nfs/dbraw/zinc/15/53/84/635155384.db2.gz LRPYJKXAHWZFQC-UHFFFAOYSA-N 1 1 285.416 3.252 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1ccc2c(n1)CCC2 ZINC000877705222 635157535 /nfs/dbraw/zinc/15/75/35/635157535.db2.gz XAHDFIRIONIVCH-UHFFFAOYSA-N 1 1 291.398 3.116 20 30 CGEDMO N#Cc1c(F)cccc1C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000877718685 635162414 /nfs/dbraw/zinc/16/24/14/635162414.db2.gz PFJQUGLSICQWGB-BETUJISGSA-N 1 1 256.324 3.095 20 30 CGEDMO CC([NH2+]Nc1ccccc1[N+](=O)[O-])=C1CC1(F)F ZINC000841604159 635194837 /nfs/dbraw/zinc/19/48/37/635194837.db2.gz NBFFJBMONVTGDT-QMMMGPOBSA-N 1 1 255.224 3.038 20 30 CGEDMO C[C@H]1C[N@@H+](CC(C)(C)CCC#N)CC[C@H](C(F)(F)F)O1 ZINC000877825186 635228780 /nfs/dbraw/zinc/22/87/80/635228780.db2.gz XYAVHQBGEPASEJ-NWDGAFQWSA-N 1 1 292.345 3.358 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000878053842 635341004 /nfs/dbraw/zinc/34/10/04/635341004.db2.gz RGNPDEFZCZTPAE-KBPBESRZSA-N 1 1 282.428 3.140 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@H+]1C[C@@H](C)C[C@H]1C)c1ccccc1 ZINC000878126490 635368243 /nfs/dbraw/zinc/36/82/43/635368243.db2.gz QAFFZSIVPUFBLR-HDMKZQKVSA-N 1 1 284.403 3.157 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCC1=NNC12CC(C1)C2 ZINC000842546181 635399391 /nfs/dbraw/zinc/39/93/91/635399391.db2.gz FGBFGZIKNHLKAX-NXVRBGIVSA-N 1 1 283.419 3.027 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000878213996 635417066 /nfs/dbraw/zinc/41/70/66/635417066.db2.gz OLNDIPOMWWIBQW-HUUCEWRRSA-N 1 1 287.407 3.005 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000878252053 635430913 /nfs/dbraw/zinc/43/09/13/635430913.db2.gz APBFRALCFNNBKB-CABCVRRESA-N 1 1 287.407 3.005 20 30 CGEDMO C=CC[N@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)C1CC1 ZINC000878341504 635466360 /nfs/dbraw/zinc/46/63/60/635466360.db2.gz AGIIIEXGJINBRN-SFHVURJKSA-N 1 1 282.387 3.077 20 30 CGEDMO N#Cc1cc(CN2CC=CCC2)cc(C[N@@H+]2CC=CCC2)c1 ZINC000878384802 635485158 /nfs/dbraw/zinc/48/51/58/635485158.db2.gz QCEAAIJVBKJVIN-UHFFFAOYSA-N 1 1 293.414 3.082 20 30 CGEDMO C#CCCCCC[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000878398484 635488170 /nfs/dbraw/zinc/48/81/70/635488170.db2.gz GNBLWIKJOBFFPE-QGZVFWFLSA-N 1 1 256.393 3.140 20 30 CGEDMO CC[N@@H+](CC1(CC#N)CC1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000878635902 635582384 /nfs/dbraw/zinc/58/23/84/635582384.db2.gz SXRUTPRKJYIOPF-HOCLYGCPSA-N 1 1 272.392 3.124 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000878886476 635649403 /nfs/dbraw/zinc/64/94/03/635649403.db2.gz KGRHFRUPVUDVRY-STQMWFEESA-N 1 1 256.340 3.438 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)cc1 ZINC000843417952 635663060 /nfs/dbraw/zinc/66/30/60/635663060.db2.gz XOZCSUVAYMOGAO-QZTJIDSGSA-N 1 1 269.388 3.059 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000843422232 635667105 /nfs/dbraw/zinc/66/71/05/635667105.db2.gz CWHXWNKFQBWSCX-INIZCTEOSA-N 1 1 285.435 3.162 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000843423764 635667778 /nfs/dbraw/zinc/66/77/78/635667778.db2.gz JJUULQBUFHFQNI-CQSZACIVSA-N 1 1 297.427 3.440 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OCC)c2)C1 ZINC000843424183 635668578 /nfs/dbraw/zinc/66/85/78/635668578.db2.gz QHYOTFWZURBEPP-OAHLLOKOSA-N 1 1 287.403 3.329 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2occc2Br)C1 ZINC000843424550 635670257 /nfs/dbraw/zinc/67/02/57/635670257.db2.gz WBYZMPGIQYXFNB-LLVKDONJSA-N 1 1 282.181 3.277 20 30 CGEDMO C=C(Br)C[N@H+]1CCC[C@H]1[C@H](O)c1ccccc1 ZINC000879243722 635732427 /nfs/dbraw/zinc/73/24/27/635732427.db2.gz WSJVROJYRVNZML-UONOGXRCSA-N 1 1 296.208 3.093 20 30 CGEDMO C=C(Br)C[N@@H+]1CCC[C@H]1[C@H](O)c1ccccc1 ZINC000879243722 635732434 /nfs/dbraw/zinc/73/24/34/635732434.db2.gz WSJVROJYRVNZML-UONOGXRCSA-N 1 1 296.208 3.093 20 30 CGEDMO CO[C@H]1CC[C@H](C)[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000879323640 635756614 /nfs/dbraw/zinc/75/66/14/635756614.db2.gz SNFRWHBZOKTIKG-HOCLYGCPSA-N 1 1 286.419 3.487 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879566528 635812846 /nfs/dbraw/zinc/81/28/46/635812846.db2.gz VZQAKCNAQHGEAL-ZIAGYGMSSA-N 1 1 266.454 3.391 20 30 CGEDMO CC(C)O[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000844377165 635884829 /nfs/dbraw/zinc/88/48/29/635884829.db2.gz CTAPJSIXKUGRBW-MRXNPFEDSA-N 1 1 276.355 3.087 20 30 CGEDMO CC(C)O[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000844377165 635884835 /nfs/dbraw/zinc/88/48/35/635884835.db2.gz CTAPJSIXKUGRBW-MRXNPFEDSA-N 1 1 276.355 3.087 20 30 CGEDMO Cc1csc([C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)n1 ZINC000880012379 635898509 /nfs/dbraw/zinc/89/85/09/635898509.db2.gz QVZLXQXBEPMQHJ-MRXNPFEDSA-N 1 1 282.412 3.293 20 30 CGEDMO N#Cc1ccc(OCC[N@@H+]2CCC[C@]3(CC3(F)F)C2)cc1 ZINC000844438362 635901259 /nfs/dbraw/zinc/90/12/59/635901259.db2.gz NQRNGNBHJSNLHN-HNNXBMFYSA-N 1 1 292.329 3.058 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCC[C@]3(CC3(F)F)C2)cc1 ZINC000844439362 635902200 /nfs/dbraw/zinc/90/22/00/635902200.db2.gz WOCIEZCMLVNTSK-HNNXBMFYSA-N 1 1 279.305 3.298 20 30 CGEDMO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844442818 635903418 /nfs/dbraw/zinc/90/34/18/635903418.db2.gz FXZKHRKYIIOUSE-CQSZACIVSA-N 1 1 280.293 3.319 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844442818 635903421 /nfs/dbraw/zinc/90/34/21/635903421.db2.gz FXZKHRKYIIOUSE-CQSZACIVSA-N 1 1 280.293 3.319 20 30 CGEDMO COCC1([N@@H+](C)Cc2ccccc2C(C)(C)C#N)CCC1 ZINC000880187714 635930644 /nfs/dbraw/zinc/93/06/44/635930644.db2.gz MXQHKHAKOFFEMF-UHFFFAOYSA-N 1 1 286.419 3.489 20 30 CGEDMO C=C(C)CO[NH+]=C1CC(C)(C)Oc2ccc(N)cc21 ZINC000844619715 635943503 /nfs/dbraw/zinc/94/35/03/635943503.db2.gz JYYZQGSMUAPQRH-UHFFFAOYSA-N 1 1 260.337 3.127 20 30 CGEDMO C=C[C@@H](C)O[NH+]=Cc1c(Cl)cccc1N1CCOCC1 ZINC000844622729 635944994 /nfs/dbraw/zinc/94/49/94/635944994.db2.gz AHPOGJRKFHBGDS-GFCCVEGCSA-N 1 1 294.782 3.102 20 30 CGEDMO CCc1ccc(C[NH+]2CCN(CCCCC#N)CC2)cc1 ZINC000880244257 635951811 /nfs/dbraw/zinc/95/18/11/635951811.db2.gz ARCUNDPBIZZUDN-UHFFFAOYSA-N 1 1 285.435 3.060 20 30 CGEDMO CO[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000880307775 635970649 /nfs/dbraw/zinc/97/06/49/635970649.db2.gz UYTTZCPUPFRGPS-CQSZACIVSA-N 1 1 298.308 3.020 20 30 CGEDMO C=CCCC[C@H]([NH2+]Cc1nccc(N)n1)c1ccccc1 ZINC000880388534 635991118 /nfs/dbraw/zinc/99/11/18/635991118.db2.gz LIPASTXZUWLDCH-HNNXBMFYSA-N 1 1 282.391 3.246 20 30 CGEDMO CC[N@@H+](Cc1ccc(CC#N)cc1)[C@@H](CO)c1ccccc1 ZINC000880464064 636005841 /nfs/dbraw/zinc/00/58/41/636005841.db2.gz PGHMZBIFKJFVEV-IBGZPJMESA-N 1 1 294.398 3.308 20 30 CGEDMO N#CCC1(C[N@@H+]2Cc3ccccc3N3CCC[C@@H]3C2)CC1 ZINC000880553854 636020712 /nfs/dbraw/zinc/02/07/12/636020712.db2.gz WFHBJGBSCHEZQB-MRXNPFEDSA-N 1 1 281.403 3.165 20 30 CGEDMO C=CC[C@H]1CC[C@H]([NH2+]Cc2nc(-c3ccccc3)n[nH]2)C1 ZINC000845952387 636123512 /nfs/dbraw/zinc/12/35/12/636123512.db2.gz RKMKCUONXKPRHD-ZFWWWQNUSA-N 1 1 282.391 3.306 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000846990123 636301171 /nfs/dbraw/zinc/30/11/71/636301171.db2.gz AOYSSALSEANZRW-HNNXBMFYSA-N 1 1 296.370 3.064 20 30 CGEDMO C[N@@H+](CCC(C)(C)C1CC1)C[C@H](O)c1cccc(C#N)c1 ZINC000847009499 636309157 /nfs/dbraw/zinc/30/91/57/636309157.db2.gz REXFYABUGFXEHS-KRWDZBQOSA-N 1 1 286.419 3.350 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000847020881 636312364 /nfs/dbraw/zinc/31/23/64/636312364.db2.gz FJIDRONFWSVXIK-QFBILLFUSA-N 1 1 299.414 3.090 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@H](C)c2nc3ccccc3o2)C1 ZINC000847022604 636314199 /nfs/dbraw/zinc/31/41/99/636314199.db2.gz VUALVZYDHMUPEU-OLZOCXBDSA-N 1 1 254.333 3.234 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000847025275 636317530 /nfs/dbraw/zinc/31/75/30/636317530.db2.gz VPXXLMGCJJRHRH-LBPRGKRZSA-N 1 1 272.373 3.248 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000847025275 636317534 /nfs/dbraw/zinc/31/75/34/636317534.db2.gz VPXXLMGCJJRHRH-LBPRGKRZSA-N 1 1 272.373 3.248 20 30 CGEDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)cc1F ZINC000131173755 636571045 /nfs/dbraw/zinc/57/10/45/636571045.db2.gz BBBDYXQIOCWLGM-UHFFFAOYSA-N 1 1 297.377 3.395 20 30 CGEDMO C=CCC[C@@H]([NH2+]Cc1nc2ccc(C)cc2[nH]1)[C@@H]1CCCO1 ZINC000883194377 636577552 /nfs/dbraw/zinc/57/75/52/636577552.db2.gz UQJCYRQELRDSTJ-WBVHZDCISA-N 1 1 299.418 3.475 20 30 CGEDMO C=CC[C@@H]([NH2+]Cc1cc2n(n1)CCCC2)c1ccncc1 ZINC000848538327 636595501 /nfs/dbraw/zinc/59/55/01/636595501.db2.gz WYTPZGXJGIGMOR-QGZVFWFLSA-N 1 1 282.391 3.021 20 30 CGEDMO N#CCCCC[C@H]([NH3+])c1nc(-c2ccc(F)cc2F)no1 ZINC000848629422 636624609 /nfs/dbraw/zinc/62/46/09/636624609.db2.gz BCFHZNFJFQJOQJ-LBPRGKRZSA-N 1 1 292.289 3.099 20 30 CGEDMO N#Cc1sc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)nc1Cl ZINC000848785270 636656809 /nfs/dbraw/zinc/65/68/09/636656809.db2.gz KDCXTRFPYJAPJG-UWVGGRQHSA-N 1 1 296.827 3.097 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000848923736 636695881 /nfs/dbraw/zinc/69/58/81/636695881.db2.gz IYEKOVZILRFKNS-LLVKDONJSA-N 1 1 283.293 3.256 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000848923736 636695887 /nfs/dbraw/zinc/69/58/87/636695887.db2.gz IYEKOVZILRFKNS-LLVKDONJSA-N 1 1 283.293 3.256 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC[C@@H](OC3CCC3)C2)cc1 ZINC000848925590 636697237 /nfs/dbraw/zinc/69/72/37/636697237.db2.gz XNODRKGDCIARCW-LJQANCHMSA-N 1 1 299.414 3.232 20 30 CGEDMO C#CC1([NH2+]Cc2coc(-c3ccccc3)n2)CCCC1 ZINC000883362381 636703936 /nfs/dbraw/zinc/70/39/36/636703936.db2.gz BMADGNICNYMXPI-UHFFFAOYSA-N 1 1 266.344 3.377 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000131654109 636715801 /nfs/dbraw/zinc/71/58/01/636715801.db2.gz YQNZYZKVVYKCBI-UHFFFAOYSA-N 1 1 278.552 3.430 20 30 CGEDMO CC[C@@H](C)c1ccc(NC(=O)CO[NH+]=C(N)C(C)C)cc1 ZINC000133627049 636963572 /nfs/dbraw/zinc/96/35/72/636963572.db2.gz IGDFKPIMDMOBQF-GFCCVEGCSA-N 1 1 291.395 3.083 20 30 CGEDMO Cc1ccccc1[C@H](C)[N@@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000885962859 637333576 /nfs/dbraw/zinc/33/35/76/637333576.db2.gz HRXACROYGZDQID-JKSUJKDBSA-N 1 1 286.419 3.433 20 30 CGEDMO CC[N@@H+](C[C@@H]1C[C@]12CCOC2)[C@H](C)c1ccc(C#N)cc1 ZINC000885965961 637336102 /nfs/dbraw/zinc/33/61/02/637336102.db2.gz ZHIOQDCWSBXABG-JLSDUUJJSA-N 1 1 284.403 3.368 20 30 CGEDMO Cc1ccccc1[C@H]1CC[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000885977489 637340553 /nfs/dbraw/zinc/34/05/53/637340553.db2.gz IREUZENFTXKTGQ-DLBZAZTESA-N 1 1 298.430 3.229 20 30 CGEDMO CC(C)[C@H]1CCC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000886012808 637361449 /nfs/dbraw/zinc/36/14/49/637361449.db2.gz OXQLDZWYLWOREQ-HOTGVXAUSA-N 1 1 278.440 3.189 20 30 CGEDMO CC(C)C[C@@H]1CCCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886075200 637401908 /nfs/dbraw/zinc/40/19/08/637401908.db2.gz DCMWFTFUTQNSJQ-JKSUJKDBSA-N 1 1 278.440 3.332 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000886265381 637472148 /nfs/dbraw/zinc/47/21/48/637472148.db2.gz HHXTXQRCKGMWKA-CVEARBPZSA-N 1 1 261.409 3.071 20 30 CGEDMO CCc1nocc1C[NH2+]Cc1ccc(SC)c(C#N)c1 ZINC000886277101 637480277 /nfs/dbraw/zinc/48/02/77/637480277.db2.gz HCRUZHRVCMJVSE-UHFFFAOYSA-N 1 1 287.388 3.120 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@H]1CC[C@H](OC)C1 ZINC000851733272 637482824 /nfs/dbraw/zinc/48/28/24/637482824.db2.gz PPROAUUDORAECT-RDJZCZTQSA-N 1 1 275.392 3.251 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cc(C(C)=O)ccc2OCC)C1 ZINC000886353583 637509579 /nfs/dbraw/zinc/50/95/79/637509579.db2.gz LZOGSXKXPZOVOR-HNNXBMFYSA-N 1 1 285.387 3.133 20 30 CGEDMO CCCCCCC[N@@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000852109100 637599042 /nfs/dbraw/zinc/59/90/42/637599042.db2.gz VMCRCXDVQKLCHU-INIZCTEOSA-N 1 1 252.446 3.375 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000852109100 637599046 /nfs/dbraw/zinc/59/90/46/637599046.db2.gz VMCRCXDVQKLCHU-INIZCTEOSA-N 1 1 252.446 3.375 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)C1 ZINC000886617041 637608872 /nfs/dbraw/zinc/60/88/72/637608872.db2.gz BYZOPAXPUPQDOE-XQHKEYJVSA-N 1 1 272.314 3.343 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC[C@@H]1COC(C)(C)O1 ZINC000852191806 637611839 /nfs/dbraw/zinc/61/18/39/637611839.db2.gz KPWJSRVHJPIGBX-CZUORRHYSA-N 1 1 288.391 3.093 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cccc(F)c2OC(F)F)C1 ZINC000852216310 637619753 /nfs/dbraw/zinc/61/97/53/637619753.db2.gz ZBAGQVNCJLPKHU-NSHDSACASA-N 1 1 283.293 3.272 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cccc(F)c2OC(F)F)C1 ZINC000852216310 637619760 /nfs/dbraw/zinc/61/97/60/637619760.db2.gz ZBAGQVNCJLPKHU-NSHDSACASA-N 1 1 283.293 3.272 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](CCc2nsc3ccccc32)C1 ZINC000852215505 637619837 /nfs/dbraw/zinc/61/98/37/637619837.db2.gz JYCNIOAMHRCWPL-ZDUSSCGKSA-N 1 1 270.401 3.184 20 30 CGEDMO N#CC1(C[NH2+][C@@H]2CCc3cccnc32)CCCCC1 ZINC000886637945 637623655 /nfs/dbraw/zinc/62/36/55/637623655.db2.gz IRQZSYJDYLITIH-CQSZACIVSA-N 1 1 255.365 3.133 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)ccc1N(C)C ZINC000852319619 637633326 /nfs/dbraw/zinc/63/33/26/637633326.db2.gz QHUXHSXUVCTIDV-HNNXBMFYSA-N 1 1 271.408 3.187 20 30 CGEDMO Cc1ccccc1C[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852326374 637636231 /nfs/dbraw/zinc/63/62/31/637636231.db2.gz NBKOISHECFLMNB-IBGZPJMESA-N 1 1 291.398 3.447 20 30 CGEDMO Cc1ccccc1C[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852326374 637636235 /nfs/dbraw/zinc/63/62/35/637636235.db2.gz NBKOISHECFLMNB-IBGZPJMESA-N 1 1 291.398 3.447 20 30 CGEDMO C=C(C)CC[N@H+]1Cc2ccc(NC(=O)C(F)(F)F)cc2C1 ZINC000852334697 637637119 /nfs/dbraw/zinc/63/71/19/637637119.db2.gz BAVPNBSUMOMHSB-UHFFFAOYSA-N 1 1 298.308 3.469 20 30 CGEDMO C=CC[N@@H+](C[C@H](O)c1cccc2ccccc21)[C@H](C)COC ZINC000852356301 637642451 /nfs/dbraw/zinc/64/24/51/637642451.db2.gz AIQHEBDJCYDKOK-BEFAXECRSA-N 1 1 299.414 3.396 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](CC[C@@H](O)c2ccccc2)C1 ZINC000852410892 637649843 /nfs/dbraw/zinc/64/98/43/637649843.db2.gz PXHKARQOHOYDSK-DOTOQJQBSA-N 1 1 259.393 3.398 20 30 CGEDMO CSc1ccc(C[NH2+][C@@H]2C[C@@H](C)n3ccnc32)cc1C#N ZINC000886689747 637654006 /nfs/dbraw/zinc/65/40/06/637654006.db2.gz GZKBTHKXRRUHOG-BXUZGUMPSA-N 1 1 298.415 3.272 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000852497621 637663851 /nfs/dbraw/zinc/66/38/51/637663851.db2.gz VYUKAAMZUAUJNH-JKSUJKDBSA-N 1 1 280.456 3.338 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2c(c1)COC2 ZINC000852686186 637695591 /nfs/dbraw/zinc/69/55/91/637695591.db2.gz PWDUHGLVOYVBCT-CALCHBBNSA-N 1 1 255.361 3.400 20 30 CGEDMO C#CCC[N@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC000852688813 637696657 /nfs/dbraw/zinc/69/66/57/637696657.db2.gz KXXJENCIPRCLKA-ZDUSSCGKSA-N 1 1 264.166 3.219 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H]1c1ccc(Br)cc1 ZINC000852688813 637696664 /nfs/dbraw/zinc/69/66/64/637696664.db2.gz KXXJENCIPRCLKA-ZDUSSCGKSA-N 1 1 264.166 3.219 20 30 CGEDMO C#Cc1cccnc1NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000853337097 637815293 /nfs/dbraw/zinc/81/52/93/637815293.db2.gz VKVOPHWSVJHJLA-SFHVURJKSA-N 1 1 291.398 3.139 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1c(O)ccc2ccccc21 ZINC000853619939 637873920 /nfs/dbraw/zinc/87/39/20/637873920.db2.gz NWXLCFDTSNVQBF-UHFFFAOYSA-N 1 1 283.371 3.017 20 30 CGEDMO C#CCCCOc1cccnc1N[C@H](C)C[N@@H+](C)C(C)C ZINC000853637554 637877794 /nfs/dbraw/zinc/87/77/94/637877794.db2.gz SBKAMVWIVQBQAF-OAHLLOKOSA-N 1 1 289.423 3.014 20 30 CGEDMO N#Cc1ccc(CCO[NH+]=C(N)C2CCCCC2)cc1 ZINC000853660257 637884657 /nfs/dbraw/zinc/88/46/57/637884657.db2.gz ZGGLUPDWRFDVPZ-UHFFFAOYSA-N 1 1 271.364 3.180 20 30 CGEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)Nc2ccccc2C(C)C)C1 ZINC000890376277 638191860 /nfs/dbraw/zinc/19/18/60/638191860.db2.gz CKJFINOUFILJDO-OAHLLOKOSA-N 1 1 299.418 3.029 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccccc2C(C)C)C1 ZINC000890376277 638191869 /nfs/dbraw/zinc/19/18/69/638191869.db2.gz CKJFINOUFILJDO-OAHLLOKOSA-N 1 1 299.418 3.029 20 30 CGEDMO C#C[C@@H](CCC)NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857191811 638470273 /nfs/dbraw/zinc/47/02/73/638470273.db2.gz SZPQQSFZHAOWHY-ROUUACIJSA-N 1 1 298.430 3.028 20 30 CGEDMO C=C(CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1ccccc1 ZINC000925632572 638550253 /nfs/dbraw/zinc/55/02/53/638550253.db2.gz AYKBIUQPXRYPPR-MOPGFXCFSA-N 1 1 284.447 3.458 20 30 CGEDMO C#CCCC[N@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858029576 638619983 /nfs/dbraw/zinc/61/99/83/638619983.db2.gz YRXRHTIPGJFURU-QGZVFWFLSA-N 1 1 284.403 3.216 20 30 CGEDMO N#Cc1cccc(C2(N[C@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)c1 ZINC000925926214 638655620 /nfs/dbraw/zinc/65/56/20/638655620.db2.gz MQWUZRMDMJLYAH-ZWKOTPCHSA-N 1 1 295.430 3.154 20 30 CGEDMO N#Cc1cccc(C2(N[C@H]3CCC[N@H+]4CCCC[C@H]34)CC2)c1 ZINC000925926214 638655623 /nfs/dbraw/zinc/65/56/23/638655623.db2.gz MQWUZRMDMJLYAH-ZWKOTPCHSA-N 1 1 295.430 3.154 20 30 CGEDMO C[C@H](C#N)Oc1ccccc1N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858403298 638705389 /nfs/dbraw/zinc/70/53/89/638705389.db2.gz ADPPSHBBEPTHPC-ZIAGYGMSSA-N 1 1 287.407 3.262 20 30 CGEDMO C#CCOc1ccc(C[NH2+][C@H]2CCCc3oc(C)nc32)cc1 ZINC000926530805 638781910 /nfs/dbraw/zinc/78/19/10/638781910.db2.gz PVEXQFIEDWDNPN-INIZCTEOSA-N 1 1 296.370 3.162 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CCCC1)c1ccnn1C1CCC1 ZINC000926879236 638820787 /nfs/dbraw/zinc/82/07/87/638820787.db2.gz JULUAHMQZGXMJU-ZDUSSCGKSA-N 1 1 272.396 3.343 20 30 CGEDMO N#CC[C@@H](O)C[NH+](Cc1cccs1)Cc1cccs1 ZINC000929094106 638897849 /nfs/dbraw/zinc/89/78/49/638897849.db2.gz YBKJXMZSJRDIMG-GFCCVEGCSA-N 1 1 292.429 3.086 20 30 CGEDMO Cc1ccc([C@@H](C)[N@@H+](C)Cc2cncc(C#N)c2)cc1 ZINC000929277902 638914621 /nfs/dbraw/zinc/91/46/21/638914621.db2.gz XJYILDCPCNTGLP-CQSZACIVSA-N 1 1 265.360 3.455 20 30 CGEDMO CCC[N@@H+](C[C@H](O)CC#N)[C@@H](C)c1cc2ccccc2o1 ZINC000929332751 638919387 /nfs/dbraw/zinc/91/93/87/638919387.db2.gz JSXSAIBWTQJOPH-DZGCQCFKSA-N 1 1 286.375 3.480 20 30 CGEDMO CC(C)(C)C[N@@H+](CCCO)CC1CCC(C#N)CC1 ZINC000929593939 638933115 /nfs/dbraw/zinc/93/31/15/638933115.db2.gz XZYSFIFHGJPXBP-UHFFFAOYSA-N 1 1 266.429 3.047 20 30 CGEDMO N#CCC[N@H+](CC1CC1)C[C@@H]1CCCC2(CCC2)O1 ZINC000929774931 638949030 /nfs/dbraw/zinc/94/90/30/638949030.db2.gz GLHMDLOIUNOXHV-HNNXBMFYSA-N 1 1 262.397 3.104 20 30 CGEDMO N#CCC[N@@H+](CC1CC1)C[C@@H]1CCCC2(CCC2)O1 ZINC000929774931 638949033 /nfs/dbraw/zinc/94/90/33/638949033.db2.gz GLHMDLOIUNOXHV-HNNXBMFYSA-N 1 1 262.397 3.104 20 30 CGEDMO CCC(CC)C[N@H+](C/C=C(\C)COC)CCC#N ZINC000929777240 638949604 /nfs/dbraw/zinc/94/96/04/638949604.db2.gz ANMKJYUUIRQFDJ-RIYZIHGNSA-N 1 1 252.402 3.231 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000929781710 638951166 /nfs/dbraw/zinc/95/11/66/638951166.db2.gz VFXKLYJYPRYAED-STQMWFEESA-N 1 1 292.345 3.358 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000929781710 638951168 /nfs/dbraw/zinc/95/11/68/638951168.db2.gz VFXKLYJYPRYAED-STQMWFEESA-N 1 1 292.345 3.358 20 30 CGEDMO CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCCC1(C#N)CCC1 ZINC000929811502 638953391 /nfs/dbraw/zinc/95/33/91/638953391.db2.gz BGDPQTYSTCDVEA-SJORKVTESA-N 1 1 289.467 3.409 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000930071404 638972319 /nfs/dbraw/zinc/97/23/19/638972319.db2.gz GRMMBNKURNHTJQ-CABCVRRESA-N 1 1 290.794 3.070 20 30 CGEDMO N#CC1(CCCC[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)CCC1 ZINC000930071747 638972429 /nfs/dbraw/zinc/97/24/29/638972429.db2.gz KVWBFVYHNJJPKY-CVEARBPZSA-N 1 1 276.424 3.209 20 30 CGEDMO COC/C(C)=C/C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000930157961 638977944 /nfs/dbraw/zinc/97/79/44/638977944.db2.gz JCOFNSMAGQPBML-VIZOYTHASA-N 1 1 282.387 3.240 20 30 CGEDMO CO[C@]1(C)CCC[N@@H+](CC2CCC(C#N)CC2)CC1 ZINC000930289770 638988911 /nfs/dbraw/zinc/98/89/11/638988911.db2.gz ULFWCAAIVGXMBM-UYSNPLJNSA-N 1 1 264.413 3.207 20 30 CGEDMO CS[C@@H]1CC[N@@H+](Cc2c(C)cc(C#N)cc2C)C1 ZINC000930610530 639037088 /nfs/dbraw/zinc/03/70/88/639037088.db2.gz QIPCNUATHMPNJF-CQSZACIVSA-N 1 1 260.406 3.112 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2C2(O)CC2)c1 ZINC000930693856 639054693 /nfs/dbraw/zinc/05/46/93/639054693.db2.gz UYYYPIYWGBDSDE-OAHLLOKOSA-N 1 1 290.794 3.091 20 30 CGEDMO COCCCC[N@@H+](C)Cc1c(C)cc(C#N)cc1C ZINC000930744577 639063344 /nfs/dbraw/zinc/06/33/44/639063344.db2.gz KZDHJBGSIQPBSY-UHFFFAOYSA-N 1 1 260.381 3.034 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCCC[C@H]2C2CCC2)c1 ZINC000930827654 639073528 /nfs/dbraw/zinc/07/35/28/639073528.db2.gz WBKVSAONFHZRDE-INIZCTEOSA-N 1 1 255.365 3.108 20 30 CGEDMO CCn1cc(C[N@@H+](CC2CCC(C#N)CC2)C(C)C)cn1 ZINC000930859636 639078436 /nfs/dbraw/zinc/07/84/36/639078436.db2.gz YTECWEODSLQMHS-UHFFFAOYSA-N 1 1 288.439 3.443 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCC[C@H]2CC2CCCC2)c1 ZINC000930893046 639084010 /nfs/dbraw/zinc/08/40/10/639084010.db2.gz UTGSMRYWFFEXNO-KRWDZBQOSA-N 1 1 269.392 3.498 20 30 CGEDMO CCc1ncc(C[NH2+]C(C)(C)c2cccc(C#N)c2)o1 ZINC000930931446 639088602 /nfs/dbraw/zinc/08/86/02/639088602.db2.gz WGEUGSNGMMPNEZ-UHFFFAOYSA-N 1 1 269.348 3.134 20 30 CGEDMO C[C@@H]1C[C@H](C[N@H+]2CCc3c(CC#N)cccc3C2)C[C@H](C)O1 ZINC000931332798 639136868 /nfs/dbraw/zinc/13/68/68/639136868.db2.gz MNAHQUPCAUDYTH-ZSHCYNCHSA-N 1 1 298.430 3.314 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](CCC(=O)OCc2ccccc2)C1 ZINC000859446151 639142895 /nfs/dbraw/zinc/14/28/95/639142895.db2.gz VJAQZSBHXZXGCN-HNNXBMFYSA-N 1 1 273.376 3.018 20 30 CGEDMO C=CC[C@H]1CC[N@H+](C[C@H](O)c2ccccc2Cl)C1 ZINC000859445542 639143173 /nfs/dbraw/zinc/14/31/73/639143173.db2.gz KLXGCNCGXREFNT-WFASDCNBSA-N 1 1 265.784 3.271 20 30 CGEDMO C[C@]1(c2ccccc2)CCC[N@H+]1Cc1cncc(C#N)c1 ZINC000931695826 639190561 /nfs/dbraw/zinc/19/05/61/639190561.db2.gz VAOLRVNFPJASJS-GOSISDBHSA-N 1 1 277.371 3.464 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000932196069 639293377 /nfs/dbraw/zinc/29/33/77/639293377.db2.gz UUOBSTHIZBFOIQ-NSHDSACASA-N 1 1 256.802 3.150 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000932196069 639293381 /nfs/dbraw/zinc/29/33/81/639293381.db2.gz UUOBSTHIZBFOIQ-NSHDSACASA-N 1 1 256.802 3.150 20 30 CGEDMO C=C(C)[C@H]1CC=C(COC(=O)Cn2c[nH+]cc2C)CC1 ZINC000860579938 639376057 /nfs/dbraw/zinc/37/60/57/639376057.db2.gz RZRZHQNHUUSCAD-HNNXBMFYSA-N 1 1 274.364 3.037 20 30 CGEDMO CCO[C@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000932973646 639405095 /nfs/dbraw/zinc/40/50/95/639405095.db2.gz WCFHXTFLZPYXLG-HNNXBMFYSA-N 1 1 297.320 3.168 20 30 CGEDMO Cc1csc(C[C@H]2CC[N@H+]([C@H](C)CCC#N)C2)n1 ZINC000933129216 639422388 /nfs/dbraw/zinc/42/23/88/639422388.db2.gz JZCNCMTUDHEELX-CHWSQXEVSA-N 1 1 263.410 3.008 20 30 CGEDMO C#CC[N@@H+](Cc1cc(C)ncn1)[C@@H]1CCCc2ccccc21 ZINC000933416977 639448971 /nfs/dbraw/zinc/44/89/71/639448971.db2.gz DCCHVQONTNTYNO-LJQANCHMSA-N 1 1 291.398 3.298 20 30 CGEDMO C#CC[N@H+](Cc1cc(C)ncn1)[C@@H]1CCCc2ccccc21 ZINC000933416977 639448974 /nfs/dbraw/zinc/44/89/74/639448974.db2.gz DCCHVQONTNTYNO-LJQANCHMSA-N 1 1 291.398 3.298 20 30 CGEDMO COc1ccc([C@@H](C)[NH2+]Cc2nc(C#N)cs2)cc1C ZINC000933483906 639453112 /nfs/dbraw/zinc/45/31/12/639453112.db2.gz PTPWFTDFAAEOQY-LLVKDONJSA-N 1 1 287.388 3.183 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000933771248 639488878 /nfs/dbraw/zinc/48/88/78/639488878.db2.gz WUVNMGJGFMWQRG-IPYPFGDCSA-N 1 1 276.405 3.009 20 30 CGEDMO CCc1ccc(C[N@H+](C)Cc2cc(C#N)cs2)nc1 ZINC000933771802 639489152 /nfs/dbraw/zinc/48/91/52/639489152.db2.gz JHQYBFDZXYMZRG-UHFFFAOYSA-N 1 1 271.389 3.209 20 30 CGEDMO CCc1ccc(C[N@@H+](C)Cc2cc(C#N)cs2)nc1 ZINC000933771802 639489157 /nfs/dbraw/zinc/48/91/57/639489157.db2.gz JHQYBFDZXYMZRG-UHFFFAOYSA-N 1 1 271.389 3.209 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1[C@@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000934466537 639613079 /nfs/dbraw/zinc/61/30/79/639613079.db2.gz SKVLGMUMVJZEOS-GXTWGEPZSA-N 1 1 299.374 3.457 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000934466537 639613085 /nfs/dbraw/zinc/61/30/85/639613085.db2.gz SKVLGMUMVJZEOS-GXTWGEPZSA-N 1 1 299.374 3.457 20 30 CGEDMO C=CCCC[N@H+](CC)CC[S@@](=O)c1ccccc1 ZINC000934647069 639649200 /nfs/dbraw/zinc/64/92/00/639649200.db2.gz YVBWQKBHXOIFCS-GOSISDBHSA-N 1 1 265.422 3.082 20 30 CGEDMO C=CCCC[N@H+](CC)CCC(=O)Nc1ccccc1F ZINC000934649126 639649881 /nfs/dbraw/zinc/64/98/81/639649881.db2.gz KWKCPLTVELXLGL-UHFFFAOYSA-N 1 1 278.371 3.442 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1nnc(-c2cccc(O)c2)o1 ZINC000934648338 639650299 /nfs/dbraw/zinc/65/02/99/639650299.db2.gz XSOWPVVBBOCEKA-UHFFFAOYSA-N 1 1 287.363 3.230 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000934884260 639700722 /nfs/dbraw/zinc/70/07/22/639700722.db2.gz PRNCUOQXFFWKPY-GOSISDBHSA-N 1 1 299.418 3.279 20 30 CGEDMO COc1ccc(C[N@@H+](C)CCC(C)(C)C#N)cc1F ZINC000157426938 639989517 /nfs/dbraw/zinc/98/95/17/639989517.db2.gz KWVCKWHTYREXPZ-UHFFFAOYSA-N 1 1 264.344 3.206 20 30 CGEDMO CCCCCCCC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000247356099 640718393 /nfs/dbraw/zinc/71/83/93/640718393.db2.gz JWUDPYMJJHYUQJ-HUUCEWRRSA-N 1 1 268.445 3.146 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2sccc2Cl)C1 ZINC001007394273 640940696 /nfs/dbraw/zinc/94/06/96/640940696.db2.gz BSVQEDYAKMFOMZ-LLVKDONJSA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2sccc2Cl)C1 ZINC001007394273 640940697 /nfs/dbraw/zinc/94/06/97/640940697.db2.gz BSVQEDYAKMFOMZ-LLVKDONJSA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccc3occc3c2)C1 ZINC001007397886 640942059 /nfs/dbraw/zinc/94/20/59/640942059.db2.gz WAEZLQBDITZFJA-MRXNPFEDSA-N 1 1 298.386 3.203 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C2(C)CCCCC2)C1 ZINC001008395017 640951146 /nfs/dbraw/zinc/95/11/46/640951146.db2.gz QLJYTEASQFNCPP-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2sccc2CC)C1 ZINC001009615709 640959902 /nfs/dbraw/zinc/95/99/02/640959902.db2.gz CTQNZSQYDPLCSB-CQSZACIVSA-N 1 1 292.448 3.081 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)C23CCC(CC2)CC3)C1 ZINC001009608849 640960684 /nfs/dbraw/zinc/96/06/84/640960684.db2.gz HDNHICRLRBSQPQ-PQUAAJSLSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cc(C)sc2C)C1 ZINC001015152820 640977814 /nfs/dbraw/zinc/97/78/14/640977814.db2.gz MBPQIKYJOHTEFQ-AWEZNQCLSA-N 1 1 292.448 3.135 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C)c(Cl)c2)C1 ZINC001015642813 640982995 /nfs/dbraw/zinc/98/29/95/640982995.db2.gz CBWULSONXFDDBS-CQSZACIVSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCCC(C)(C)C2)C1 ZINC001015991769 640989851 /nfs/dbraw/zinc/98/98/51/640989851.db2.gz HADWBOMXVYWQCQ-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C23CCC(CC2)CC3)C1 ZINC001016313077 640994032 /nfs/dbraw/zinc/99/40/32/640994032.db2.gz FSLHMOZONGHFOU-UPTPFMHGSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cc3cccc(C)c3o2)C1 ZINC001016345196 640995859 /nfs/dbraw/zinc/99/58/59/640995859.db2.gz ZIBWJZJBJBFYRP-OAHLLOKOSA-N 1 1 298.386 3.121 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1ccccc1 ZINC001018185913 641020351 /nfs/dbraw/zinc/02/03/51/641020351.db2.gz QIHUJSBPHIRMTH-RYQLBKOJSA-N 1 1 298.430 3.041 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001155446350 805583151 /nfs/dbraw/zinc/58/31/51/805583151.db2.gz VGFBZTKMFUYXKE-NCOADZHNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)c1cccc(C)c1 ZINC001155514658 805587984 /nfs/dbraw/zinc/58/79/84/805587984.db2.gz OHGKBKJSPZLAPQ-CVEARBPZSA-N 1 1 288.435 3.111 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001155638595 805598629 /nfs/dbraw/zinc/59/86/29/805598629.db2.gz AXJWYINYQRUNTJ-DAYGRLMNSA-N 1 1 294.483 3.461 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@H](CC#N)C2)cc2c1OCC=C2 ZINC001250512677 805666743 /nfs/dbraw/zinc/66/67/43/805666743.db2.gz LHORTDKJZPKWAJ-CQSZACIVSA-N 1 1 298.386 3.226 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)[C@]1(C)CCC(C)=C(C)C1 ZINC001156680118 805726852 /nfs/dbraw/zinc/72/68/52/805726852.db2.gz SVSJPBMAZNZACH-GOSISDBHSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)C1(C)CCC(C)CC1 ZINC001157190883 805788125 /nfs/dbraw/zinc/78/81/25/805788125.db2.gz VEERFAGNMGQYIX-ISXOHVOVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C(=O)OCCNc1[nH+]ccc2ccc(C)cc21 ZINC001157304453 805795096 /nfs/dbraw/zinc/79/50/96/805795096.db2.gz CKTWGVWGAUIVHK-UHFFFAOYSA-N 1 1 270.332 3.074 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCCCN1C(=O)CCC ZINC001157431847 805811883 /nfs/dbraw/zinc/81/18/83/805811883.db2.gz OJJUCBRPSFIUOO-HZPDHXFCSA-N 1 1 280.456 3.454 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)SC ZINC001157577840 805837769 /nfs/dbraw/zinc/83/77/69/805837769.db2.gz FPNXRMFYGDHVJL-HUUCEWRRSA-N 1 1 298.496 3.017 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)C1CCCCCC1 ZINC001157657059 805845886 /nfs/dbraw/zinc/84/58/86/805845886.db2.gz XSZAIDNTQSGOIM-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H](C)C(C)C ZINC001157667776 805850151 /nfs/dbraw/zinc/85/01/51/805850151.db2.gz DENHKKZSXFIVLP-IAGOWNOFSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)c1coc(C)c1 ZINC001157857471 805889265 /nfs/dbraw/zinc/88/92/65/805889265.db2.gz XKGXDKSMQIYOGC-MRXNPFEDSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1cc(C)cs1 ZINC001157913946 805902176 /nfs/dbraw/zinc/90/21/76/805902176.db2.gz SCYLBKHPGKCFTF-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC1(C)C ZINC001158363830 805944043 /nfs/dbraw/zinc/94/40/43/805944043.db2.gz LEDYXTHYSPFIMG-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC12CCC2 ZINC001158529132 805962627 /nfs/dbraw/zinc/96/26/27/805962627.db2.gz ICMCSTGRIRYIMZ-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](CCC)C(C)C ZINC001158540808 805964166 /nfs/dbraw/zinc/96/41/66/805964166.db2.gz LPAJVMCYTNCDIL-SJORKVTESA-N 1 1 292.467 3.005 20 30 CGEDMO C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CC(CC)CC ZINC001158667774 805982840 /nfs/dbraw/zinc/98/28/40/805982840.db2.gz YIADEYVCDMPGRC-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCCCCC ZINC001158818580 806008824 /nfs/dbraw/zinc/00/88/24/806008824.db2.gz JMLKCIIKLYKLFE-MRXNPFEDSA-N 1 1 280.456 3.456 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+](CC)CCOC ZINC001252122075 806009734 /nfs/dbraw/zinc/00/97/34/806009734.db2.gz PICHTWLNFBEHSB-HNNXBMFYSA-N 1 1 259.434 3.066 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCN(C)C(C)(C)C1 ZINC001252129901 806016324 /nfs/dbraw/zinc/01/63/24/806016324.db2.gz GQDOZTBVEMBWMP-MRXNPFEDSA-N 1 1 284.488 3.124 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+](C)Cc1ccncn1 ZINC001252132474 806018699 /nfs/dbraw/zinc/01/86/99/806018699.db2.gz HKNNWOIAKLWQRY-INIZCTEOSA-N 1 1 279.428 3.020 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CC[C@@H](N(C)C2CC2)C1 ZINC001252132184 806018996 /nfs/dbraw/zinc/01/89/96/806018996.db2.gz BLCXOTMFZGWDGB-MSOLQXFVSA-N 1 1 296.499 3.266 20 30 CGEDMO CCCCCCCC[C@H](O)CN1CC[C@@H]([N@H+](C)C2CC2)C1 ZINC001252132184 806019005 /nfs/dbraw/zinc/01/90/05/806019005.db2.gz BLCXOTMFZGWDGB-MSOLQXFVSA-N 1 1 296.499 3.266 20 30 CGEDMO CCCCCCCC[C@H](O)CN1CC[C@@H]([N@@H+](C)C2CC2)C1 ZINC001252132184 806019011 /nfs/dbraw/zinc/01/90/11/806019011.db2.gz BLCXOTMFZGWDGB-MSOLQXFVSA-N 1 1 296.499 3.266 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+](CC)CCCN(C)C ZINC001252134060 806019646 /nfs/dbraw/zinc/01/96/46/806019646.db2.gz UQWHTMFLFQYLTM-QGZVFWFLSA-N 1 1 286.504 3.372 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+](CC)CCCN(C)C ZINC001252134060 806019656 /nfs/dbraw/zinc/01/96/56/806019656.db2.gz UQWHTMFLFQYLTM-QGZVFWFLSA-N 1 1 286.504 3.372 20 30 CGEDMO CCCCCCCC[C@@H](O)C[NH2+]C[C@@H]1CCCN(C)C1 ZINC001252135972 806022021 /nfs/dbraw/zinc/02/20/21/806022021.db2.gz KDMXRGHCAJRKKM-DLBZAZTESA-N 1 1 284.488 3.029 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@H](C)C1CC1 ZINC001158923154 806022724 /nfs/dbraw/zinc/02/27/24/806022724.db2.gz QOLHCFIHRZEOKN-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)c2cccs2)CC1 ZINC001159124276 806046320 /nfs/dbraw/zinc/04/63/20/806046320.db2.gz LGWMIDZUROVYAL-UHFFFAOYSA-N 1 1 290.432 3.076 20 30 CGEDMO C=CCOC[C@@H](O)C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC001252464795 806049263 /nfs/dbraw/zinc/04/92/63/806049263.db2.gz AFNIJXGTSJTOLB-HOTGVXAUSA-N 1 1 295.810 3.040 20 30 CGEDMO CC(C)(C)C=CNc1sc2c(c1C#N)CC[NH2+]C2 ZINC001159160024 806053551 /nfs/dbraw/zinc/05/35/51/806053551.db2.gz VTBFNEYJMBXYFO-FNORWQNLSA-N 1 1 261.394 3.237 20 30 CGEDMO C=C[C@](C)(O)C[N@@H+](CCC#N)C1CCCCCCC1 ZINC001252549129 806061450 /nfs/dbraw/zinc/06/14/50/806061450.db2.gz BZFDSGPEGDSCHO-INIZCTEOSA-N 1 1 264.413 3.252 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+](C)[C@H](C)c1cccc(Br)c1 ZINC001252556499 806063298 /nfs/dbraw/zinc/06/32/98/806063298.db2.gz HLQCFCRQIAHVPR-BXUZGUMPSA-N 1 1 298.224 3.379 20 30 CGEDMO C=CCCCNc1cc(C)c(C(=O)OCC)c(C)[nH+]1 ZINC001159262632 806069391 /nfs/dbraw/zinc/06/93/91/806069391.db2.gz SNMCUIYXURCNLO-UHFFFAOYSA-N 1 1 262.353 3.253 20 30 CGEDMO COc1cc(NCC(C)(C)S)[nH+]c2ccccc21 ZINC001159267756 806070816 /nfs/dbraw/zinc/07/08/16/806070816.db2.gz DCQFLMSIYPBSGT-UHFFFAOYSA-N 1 1 262.378 3.364 20 30 CGEDMO C=CCC[C@@H](O)CNc1ccc2c(C)cc[nH+]c2c1 ZINC001252608840 806086615 /nfs/dbraw/zinc/08/66/15/806086615.db2.gz IYRYRPIPXIMDTH-CQSZACIVSA-N 1 1 256.349 3.282 20 30 CGEDMO C=C(C)C[N@H+](CC)C[C@@H](O)COC[C@@H](CC)CCCC ZINC001253006701 806152595 /nfs/dbraw/zinc/15/25/95/806152595.db2.gz LSENPICNGKIQGA-DLBZAZTESA-N 1 1 285.472 3.478 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCC[C@](C)(O)[C@@H](C)C1 ZINC001253236351 806188379 /nfs/dbraw/zinc/18/83/79/806188379.db2.gz SJWZDCTUVPHIHV-BZSNNMDCSA-N 1 1 297.483 3.357 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001253228656 806184512 /nfs/dbraw/zinc/18/45/12/806184512.db2.gz VTYGAUNYMCXYCM-SQNIBIBYSA-N 1 1 295.467 3.375 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCC(=O)[C@@H](C)CC1 ZINC001253234204 806188694 /nfs/dbraw/zinc/18/86/94/806188694.db2.gz WKQUFRDBKGJHSY-JKSUJKDBSA-N 1 1 281.440 3.175 20 30 CGEDMO SCCCNc1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001159869603 806187948 /nfs/dbraw/zinc/18/79/48/806187948.db2.gz MKFUBELWRABNEX-UHFFFAOYSA-N 1 1 285.844 3.063 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@H](OCC)C1 ZINC001253239673 806189945 /nfs/dbraw/zinc/18/99/45/806189945.db2.gz PVNCBTXJHCWKAQ-IRXDYDNUSA-N 1 1 283.456 3.375 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+](C)Cc1cc(C)nn1C ZINC001253239983 806190887 /nfs/dbraw/zinc/19/08/87/806190887.db2.gz WQXWZSKRIDGEFW-KRWDZBQOSA-N 1 1 293.455 3.048 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001253241345 806191665 /nfs/dbraw/zinc/19/16/65/806191665.db2.gz UULVNTYIXFQIFS-YHUYYLMFSA-N 1 1 269.404 3.021 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@H]1C(C)(C)O ZINC001253241698 806191903 /nfs/dbraw/zinc/19/19/03/806191903.db2.gz ZROMUEQAIRUACP-CVEARBPZSA-N 1 1 283.456 3.109 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1C[C@@H]2C(=O)CCC[C@@H]2C1 ZINC001253240794 806191942 /nfs/dbraw/zinc/19/19/42/806191942.db2.gz AAEDLCVXYWOYBX-IKGGRYGDSA-N 1 1 293.451 3.175 20 30 CGEDMO Cc1[nH+]c(N[C@H]2CCc3ccc(O)cc3C2)ccc1CC#N ZINC001159895812 806193226 /nfs/dbraw/zinc/19/32/26/806193226.db2.gz LWCNVIMWXFZNIU-INIZCTEOSA-N 1 1 293.370 3.131 20 30 CGEDMO C=C(C)CCC(=O)NCCC1=CC[N@@H+](CC[C@H](C)F)CC1 ZINC001160264100 806245370 /nfs/dbraw/zinc/24/53/70/806245370.db2.gz DDYQPQYHTPBJKC-HNNXBMFYSA-N 1 1 296.430 3.229 20 30 CGEDMO C=C[C@H](O)C[N@H+]1CC[C@H](c2cccc(Cl)c2Cl)C1 ZINC001253578859 806263720 /nfs/dbraw/zinc/26/37/20/806263720.db2.gz ISTIKLBEMHQCIL-QWRGUYRKSA-N 1 1 286.202 3.330 20 30 CGEDMO CCCCCCC[N@@H+]1C[C@H](O)C[C@H]1c1nnc(CCC)o1 ZINC001253994864 806325835 /nfs/dbraw/zinc/32/58/35/806325835.db2.gz SURFIIMJJGICBS-KGLIPLIRSA-N 1 1 295.427 3.100 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H](O)C[C@H]1c1nnc(CCC)o1 ZINC001253994864 806325845 /nfs/dbraw/zinc/32/58/45/806325845.db2.gz SURFIIMJJGICBS-KGLIPLIRSA-N 1 1 295.427 3.100 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1CNc1cnc(-c2ccccc2)cn1 ZINC001160957393 806328004 /nfs/dbraw/zinc/32/80/04/806328004.db2.gz KVNOWWJHXOMTLZ-INIZCTEOSA-N 1 1 294.402 3.206 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1nc(C)nc2ccccc21 ZINC001160953174 806329232 /nfs/dbraw/zinc/32/92/32/806329232.db2.gz VBQNDWJEGJXMHV-AWEZNQCLSA-N 1 1 282.391 3.001 20 30 CGEDMO N#Cc1ccc2c(c1)CC[N@H+](C1CCC(F)(F)CC1)C2 ZINC001254218354 806368865 /nfs/dbraw/zinc/36/88/65/806368865.db2.gz FJTOTUKYZDPRFS-UHFFFAOYSA-N 1 1 276.330 3.494 20 30 CGEDMO C=CC[N@H+](C)[C@H]1Cc2ccc(Br)cc2C1 ZINC001254283038 806378982 /nfs/dbraw/zinc/37/89/82/806378982.db2.gz DLHSWWVIXWUZIP-ZDUSSCGKSA-N 1 1 266.182 3.034 20 30 CGEDMO Cc1ccc(CC#N)c(NC[C@@H]2CCOC(C)(C)C2)[nH+]1 ZINC001161429730 806379797 /nfs/dbraw/zinc/37/97/97/806379797.db2.gz YLJXCARKSBVBST-CYBMUJFWSA-N 1 1 273.380 3.073 20 30 CGEDMO C=CC[C@@](C)([NH2+]C1CCc2ccccc2CC1)C(=O)OC ZINC001254456020 806408311 /nfs/dbraw/zinc/40/83/11/806408311.db2.gz SYVOAAAGFQRPSD-GOSISDBHSA-N 1 1 287.403 3.031 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC001254645526 806470009 /nfs/dbraw/zinc/47/00/09/806470009.db2.gz NCVZAGXMFJPFCP-HNNXBMFYSA-N 1 1 268.360 3.012 20 30 CGEDMO COc1ccc(-c2nc(C[NH2+][C@@H]3CC[C@H](C#N)C3)co2)cc1 ZINC001254650326 806474006 /nfs/dbraw/zinc/47/40/06/806474006.db2.gz UUZCPFMTIVFNHX-GXTWGEPZSA-N 1 1 297.358 3.132 20 30 CGEDMO N#C[C@H]1CC[C@H](N2CCC3(CCC[N@H+]3CC3CC3)CC2)C1 ZINC001254660334 806478080 /nfs/dbraw/zinc/47/80/80/806478080.db2.gz XHEAWTWEWUCLIY-IRXDYDNUSA-N 1 1 287.451 3.019 20 30 CGEDMO CCC[N@@H+](CCc1ccccn1)[C@H]1CC[C@@H](C#N)C1 ZINC001254671020 806480992 /nfs/dbraw/zinc/48/09/92/806480992.db2.gz NVJSUVVBGXFROC-ZBFHGGJFSA-N 1 1 257.381 3.028 20 30 CGEDMO CC[N@@H+](Cc1cccc(OC)c1)[C@@H]1CC[C@@H](C#N)C1 ZINC001254670770 806482260 /nfs/dbraw/zinc/48/22/60/806482260.db2.gz MIXMENUWYQJPOC-UKRRQHHQSA-N 1 1 258.365 3.209 20 30 CGEDMO N#C[C@H]1CC[C@H]([N@H+]2CCSc3ccccc3C2)C1 ZINC001254674412 806483018 /nfs/dbraw/zinc/48/30/18/806483018.db2.gz YTOURUFFIYHUAV-JSGCOSHPSA-N 1 1 258.390 3.287 20 30 CGEDMO CN([C@@H]1CC[C@H](C#N)C1)C1CC[NH+](C2CCCCC2)CC1 ZINC001254677236 806484306 /nfs/dbraw/zinc/48/43/06/806484306.db2.gz RKSBJUAQXQZUFS-MAUKXSAKSA-N 1 1 289.467 3.408 20 30 CGEDMO N#C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001255098434 806544109 /nfs/dbraw/zinc/54/41/09/806544109.db2.gz PUJFJGWXUQJPGS-MOPGFXCFSA-N 1 1 291.398 3.115 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCN(Cc2ccccc2)C1 ZINC001255119269 806548078 /nfs/dbraw/zinc/54/80/78/806548078.db2.gz QIIGVUBMUGFEIH-AKHDSKFASA-N 1 1 295.430 3.027 20 30 CGEDMO C#CC(C)(C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001255122392 806548199 /nfs/dbraw/zinc/54/81/99/806548199.db2.gz PHAOWJJTYDQHSO-NNZMDNLPSA-N 1 1 282.431 3.183 20 30 CGEDMO C#CC(C)(C)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255122392 806548203 /nfs/dbraw/zinc/54/82/03/806548203.db2.gz PHAOWJJTYDQHSO-NNZMDNLPSA-N 1 1 282.431 3.183 20 30 CGEDMO C#CC(C)(C)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255122392 806548207 /nfs/dbraw/zinc/54/82/07/806548207.db2.gz PHAOWJJTYDQHSO-NNZMDNLPSA-N 1 1 282.431 3.183 20 30 CGEDMO CC[N@@H+]1CC=C(c2cnc(NC3(C#N)CCC3)c(C)c2)CC1 ZINC001162310431 806552227 /nfs/dbraw/zinc/55/22/27/806552227.db2.gz JPIKRQOBBGPLIW-UHFFFAOYSA-N 1 1 296.418 3.357 20 30 CGEDMO CC[C@@H](CC#N)[N@H+](C)CCc1cccc(C(F)(F)F)n1 ZINC001255163834 806560794 /nfs/dbraw/zinc/56/07/94/806560794.db2.gz FESXOMWCUJGMEI-LBPRGKRZSA-N 1 1 285.313 3.267 20 30 CGEDMO CC[C@@H](CC#N)[N@@H+](C)CCc1cccc(C(F)(F)F)n1 ZINC001255163834 806560800 /nfs/dbraw/zinc/56/08/00/806560800.db2.gz FESXOMWCUJGMEI-LBPRGKRZSA-N 1 1 285.313 3.267 20 30 CGEDMO CC[C@@H](CC#N)N1CC[N@H+](Cc2ccc(F)cc2)C[C@H]1C ZINC001255163723 806561141 /nfs/dbraw/zinc/56/11/41/806561141.db2.gz DEHAERGDNBODLH-PBHICJAKSA-N 1 1 289.398 3.024 20 30 CGEDMO CC[C@@H](CC#N)N1CC[N@@H+](Cc2ccc(F)cc2)C[C@H]1C ZINC001255163723 806561147 /nfs/dbraw/zinc/56/11/47/806561147.db2.gz DEHAERGDNBODLH-PBHICJAKSA-N 1 1 289.398 3.024 20 30 CGEDMO CC[C@@H](CC#N)[N@@H+]1CC[C@@H](Oc2ccccc2C)C1 ZINC001255172342 806564573 /nfs/dbraw/zinc/56/45/73/806564573.db2.gz NNSMDKSOGZBEFL-LSDHHAIUSA-N 1 1 258.365 3.140 20 30 CGEDMO CC[C@@H](CC#N)[N@H+]1CC[C@@H](Oc2ccccc2C)C1 ZINC001255172342 806564578 /nfs/dbraw/zinc/56/45/78/806564578.db2.gz NNSMDKSOGZBEFL-LSDHHAIUSA-N 1 1 258.365 3.140 20 30 CGEDMO CC[C@H](CC#N)[NH+]1CCC(C(C)=O)(c2ccccc2)CC1 ZINC001255172524 806564746 /nfs/dbraw/zinc/56/47/46/806564746.db2.gz BVMOQZVCUIAXIK-QGZVFWFLSA-N 1 1 284.403 3.301 20 30 CGEDMO CC[C@H](CC#N)[N@@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001255174018 806568333 /nfs/dbraw/zinc/56/83/33/806568333.db2.gz HAWMNGGCOCWXTH-WBVHZDCISA-N 1 1 283.375 3.094 20 30 CGEDMO CC[C@H](CC#N)[N@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001255174018 806568344 /nfs/dbraw/zinc/56/83/44/806568344.db2.gz HAWMNGGCOCWXTH-WBVHZDCISA-N 1 1 283.375 3.094 20 30 CGEDMO CC[C@H](CC#N)N(CC)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001255174669 806568510 /nfs/dbraw/zinc/56/85/10/806568510.db2.gz HTLAUWQHEJWLPP-MSOLQXFVSA-N 1 1 285.435 3.275 20 30 CGEDMO CC[C@H](CC#N)[N@H+]1CCC[C@H]1CCNC(=O)OC(C)(C)C ZINC001255174420 806568612 /nfs/dbraw/zinc/56/86/12/806568612.db2.gz WZMQPIJHMJEZRU-KGLIPLIRSA-N 1 1 295.427 3.058 20 30 CGEDMO CC[C@H](CC#N)[NH+]1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC001255174126 806569454 /nfs/dbraw/zinc/56/94/54/806569454.db2.gz RIYNZXGCVRGECN-CYBMUJFWSA-N 1 1 295.427 3.010 20 30 CGEDMO CC1(C)CCC([N@H+]2CCC3SC(=O)C=C3C2)CC1 ZINC001255303860 806601651 /nfs/dbraw/zinc/60/16/51/806601651.db2.gz BZHPFIAPPYUJPA-ZDUSSCGKSA-N 1 1 265.422 3.229 20 30 CGEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@H](C)CCCC)C2 ZINC001255328336 806615087 /nfs/dbraw/zinc/61/50/87/806615087.db2.gz ITZOAFINXGSJLI-IKGGRYGDSA-N 1 1 281.440 3.391 20 30 CGEDMO N#C[C@@H]1CCCCN1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255402816 806633270 /nfs/dbraw/zinc/63/32/70/806633270.db2.gz BCAAOFSAFYAHPJ-MOPGFXCFSA-N 1 1 297.446 3.419 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+]([C@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001255406071 806634477 /nfs/dbraw/zinc/63/44/77/806634477.db2.gz OZIOWKPEONTLIV-QUCCMNQESA-N 1 1 296.458 3.386 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001255406071 806634482 /nfs/dbraw/zinc/63/44/82/806634482.db2.gz OZIOWKPEONTLIV-QUCCMNQESA-N 1 1 296.458 3.386 20 30 CGEDMO C#CC1CC[NH+]([C@H]2CCCN(Cc3ccccc3)CC2)CC1 ZINC001255408077 806635661 /nfs/dbraw/zinc/63/56/61/806635661.db2.gz HSNKCQXHVAEDPJ-FQEVSTJZSA-N 1 1 296.458 3.386 20 30 CGEDMO Cc1cc(F)c(C#N)c(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC001162800337 806667980 /nfs/dbraw/zinc/66/79/80/806667980.db2.gz YHDLPJVLKDDJKX-NEPJUHHUSA-N 1 1 273.355 3.043 20 30 CGEDMO N#Cc1cc(F)cc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000163626166 799083004 /nfs/dbraw/zinc/08/30/04/799083004.db2.gz JVPZQTUAGLUWJV-HOCLYGCPSA-N 1 1 258.340 3.462 20 30 CGEDMO C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000328109868 799249874 /nfs/dbraw/zinc/24/98/74/799249874.db2.gz NQBJTJJQPVORNJ-LBPRGKRZSA-N 1 1 282.790 3.085 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](Nc2nccc(Cl)c2C#N)[C@@H](C)C1 ZINC001163360091 806746214 /nfs/dbraw/zinc/74/62/14/806746214.db2.gz BOXAFRLYQQWVBH-FZMZJTMJSA-N 1 1 292.814 3.137 20 30 CGEDMO CC[C@H](CC#N)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388426276 799452920 /nfs/dbraw/zinc/45/29/20/799452920.db2.gz ZHJAGAXWDMKMRR-QZTJIDSGSA-N 1 1 285.435 3.275 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](Nc2ncc(Cl)cc2C#N)[C@H](C)C1 ZINC001163365130 806748918 /nfs/dbraw/zinc/74/89/18/806748918.db2.gz HNHGCBSDOQAFPK-BXUZGUMPSA-N 1 1 292.814 3.137 20 30 CGEDMO CO[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000687213077 799737783 /nfs/dbraw/zinc/73/77/83/799737783.db2.gz SYINKKMRFYVEEE-SMDDNHRTSA-N 1 1 278.783 3.211 20 30 CGEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1cscn1 ZINC000697880638 799849540 /nfs/dbraw/zinc/84/95/40/799849540.db2.gz BFKZZMUBAZKPAV-NWDGAFQWSA-N 1 1 287.388 3.457 20 30 CGEDMO Cc1ccc(C[N@@H+](C)CC2CC(F)(F)C2)cc1C#N ZINC000700704050 799877680 /nfs/dbraw/zinc/87/76/80/799877680.db2.gz IAPIUZYYLJMYED-UHFFFAOYSA-N 1 1 264.319 3.344 20 30 CGEDMO C=C(Br)C[N@H+]1CC[C@H](C2CCCC2)C1 ZINC000708830834 799995631 /nfs/dbraw/zinc/99/56/31/799995631.db2.gz APSRPKDWWDIHHU-LBPRGKRZSA-N 1 1 258.203 3.407 20 30 CGEDMO CS[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2F)C1 ZINC000708302697 799984922 /nfs/dbraw/zinc/98/49/22/799984922.db2.gz OSJYMCOADMPQPH-UONOGXRCSA-N 1 1 278.396 3.413 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3nccs3)C2)c(F)c1 ZINC000710359997 800033881 /nfs/dbraw/zinc/03/38/81/800033881.db2.gz KUOJUZXUPNMHJI-CYBMUJFWSA-N 1 1 287.363 3.143 20 30 CGEDMO CC(=O)C=C(C)Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cn1 ZINC001163737266 806813592 /nfs/dbraw/zinc/81/35/92/806813592.db2.gz SISJQDIQEWBYKT-QLKUMGTLSA-N 1 1 287.407 3.361 20 30 CGEDMO CC(=O)CC(C)=Nc1ccc(C[N@H+]2CCCC[C@H]2C)cn1 ZINC001163737266 806813598 /nfs/dbraw/zinc/81/35/98/806813598.db2.gz SISJQDIQEWBYKT-QLKUMGTLSA-N 1 1 287.407 3.361 20 30 CGEDMO CC(=O)CC(C)=Nc1ccc(C[N@@H+]2CCCC[C@H]2C)cn1 ZINC001163737266 806813606 /nfs/dbraw/zinc/81/36/06/806813606.db2.gz SISJQDIQEWBYKT-QLKUMGTLSA-N 1 1 287.407 3.361 20 30 CGEDMO C[C@@H]1Cc2cc(C[N@H+]3CCC[C@@H](CC#N)C3)ccc2O1 ZINC000720829711 800267970 /nfs/dbraw/zinc/26/79/70/800267970.db2.gz QXUUXHFVKRJOAK-KGLIPLIRSA-N 1 1 270.376 3.136 20 30 CGEDMO C=CCCCCC[N@H+]1Cc2ccccc2C[C@H]1CN ZINC000721643589 800299508 /nfs/dbraw/zinc/29/95/08/800299508.db2.gz TXQUEPDKJAWNCZ-KRWDZBQOSA-N 1 1 258.409 3.118 20 30 CGEDMO C=CCCCCC[N@@H+]1Cc2ccccc2C[C@H]1CN ZINC000721643589 800299511 /nfs/dbraw/zinc/29/95/11/800299511.db2.gz TXQUEPDKJAWNCZ-KRWDZBQOSA-N 1 1 258.409 3.118 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000809546952 800444709 /nfs/dbraw/zinc/44/47/09/800444709.db2.gz GHHANNDKHCCPRS-GOSISDBHSA-N 1 1 262.356 3.400 20 30 CGEDMO C[C@@H](Cc1cccc(Br)c1)[N@H+](C)CCC#N ZINC001256179171 806843744 /nfs/dbraw/zinc/84/37/44/806843744.db2.gz ALWSOPSCJWVKLY-NSHDSACASA-N 1 1 281.197 3.226 20 30 CGEDMO C[C@@H](Cc1cccc(Br)c1)[N@@H+](C)CCC#N ZINC001256179171 806843751 /nfs/dbraw/zinc/84/37/51/806843751.db2.gz ALWSOPSCJWVKLY-NSHDSACASA-N 1 1 281.197 3.226 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910781937 800608324 /nfs/dbraw/zinc/60/83/24/800608324.db2.gz WZCMQGPNLNVXHL-GOSISDBHSA-N 1 1 298.430 3.076 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910781937 800608325 /nfs/dbraw/zinc/60/83/25/800608325.db2.gz WZCMQGPNLNVXHL-GOSISDBHSA-N 1 1 298.430 3.076 20 30 CGEDMO C#CC[N@H+](Cc1coc(-c2ccccc2F)n1)C(C)C ZINC000932384766 800663338 /nfs/dbraw/zinc/66/33/38/800663338.db2.gz XWNFACWJOGEAAX-UHFFFAOYSA-N 1 1 272.323 3.324 20 30 CGEDMO C#CC[N@@H+](Cc1coc(-c2ccccc2F)n1)C(C)C ZINC000932384766 800663340 /nfs/dbraw/zinc/66/33/40/800663340.db2.gz XWNFACWJOGEAAX-UHFFFAOYSA-N 1 1 272.323 3.324 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1ccc(Oc2ccccc2)nn1 ZINC000934459867 800678208 /nfs/dbraw/zinc/67/82/08/800678208.db2.gz HPGRILSXRAVPIS-OAHLLOKOSA-N 1 1 281.359 3.419 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1ccc(Oc2ccccc2)nn1 ZINC000934459867 800678211 /nfs/dbraw/zinc/67/82/11/800678211.db2.gz HPGRILSXRAVPIS-OAHLLOKOSA-N 1 1 281.359 3.419 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000934459144 800678954 /nfs/dbraw/zinc/67/89/54/800678954.db2.gz ARWQVQIWJWOTIG-RRFJBIMHSA-N 1 1 294.439 3.330 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)ccc2C)[C@@H]1C ZINC000994298937 800696289 /nfs/dbraw/zinc/69/62/89/800696289.db2.gz UWIXXZMSFWUBDG-RDJZCZTQSA-N 1 1 286.419 3.072 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC=CCC2)C1 ZINC001023228535 800708936 /nfs/dbraw/zinc/70/89/36/800708936.db2.gz ASOKLZQIGFWOKK-SJORKVTESA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001023544184 800712538 /nfs/dbraw/zinc/71/25/38/800712538.db2.gz BOKMNSIRYNVNAQ-HOTGVXAUSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)C1=CCCC1 ZINC001024392774 800727014 /nfs/dbraw/zinc/72/70/14/800727014.db2.gz VVTKZIWFPRPQSK-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC12CC2 ZINC001024504886 800730878 /nfs/dbraw/zinc/73/08/78/800730878.db2.gz RNFYFAGNHHFXML-JKSUJKDBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(CC)o1 ZINC001024511973 800731067 /nfs/dbraw/zinc/73/10/67/800731067.db2.gz PBXASZXYLYTYGQ-CQSZACIVSA-N 1 1 290.407 3.002 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC(C)C ZINC001025196312 800749103 /nfs/dbraw/zinc/74/91/03/800749103.db2.gz SPPFSUYDVQCGPQ-SJORKVTESA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccs2)C1 ZINC001025327546 800757018 /nfs/dbraw/zinc/75/70/18/800757018.db2.gz AGSWVPYITUGFTR-UONOGXRCSA-N 1 1 292.448 3.155 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccs2)C1 ZINC001025327547 800757486 /nfs/dbraw/zinc/75/74/86/800757486.db2.gz AGSWVPYITUGFTR-ZIAGYGMSSA-N 1 1 292.448 3.155 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2cc(C)oc2C)C1 ZINC001027293447 800789747 /nfs/dbraw/zinc/78/97/47/800789747.db2.gz COUAIQWXAKNJAN-OAHLLOKOSA-N 1 1 290.407 3.009 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2cscc2C)C1 ZINC001027354779 800791815 /nfs/dbraw/zinc/79/18/15/800791815.db2.gz JWSZNLSKWYWRPK-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C(C)=C2CCCC2)C1 ZINC001027359722 800792960 /nfs/dbraw/zinc/79/29/60/800792960.db2.gz VJWUOUZIHDYIAB-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001027425277 800797043 /nfs/dbraw/zinc/79/70/43/800797043.db2.gz HFGOGTHCPYPXPX-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)CCC2CC2)C1 ZINC001027519607 800799958 /nfs/dbraw/zinc/79/99/58/800799958.db2.gz QZUOQQZMEZJMBD-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[C@@H]([N@H+](C)CC(C)C)C2)CC1 ZINC001027555138 800802918 /nfs/dbraw/zinc/80/29/18/800802918.db2.gz FBWXEHKTIMQWIY-QGZVFWFLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)C2(C)CCCCC2)C1 ZINC001027555598 800803802 /nfs/dbraw/zinc/80/38/02/800803802.db2.gz PCNFKJHZASLOIO-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC001027661652 800808688 /nfs/dbraw/zinc/80/86/88/800808688.db2.gz GLKYXFFOMQZFPW-OAHLLOKOSA-N 1 1 292.810 3.062 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001027655124 800809878 /nfs/dbraw/zinc/80/98/78/800809878.db2.gz MCTCFGYTNMKBAW-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2cc(C)c(C)s2)C1 ZINC001027674108 800810600 /nfs/dbraw/zinc/81/06/00/800810600.db2.gz RBVFQHQGVPFYNN-CQSZACIVSA-N 1 1 292.448 3.087 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1C(C)C ZINC001027917662 800826934 /nfs/dbraw/zinc/82/69/34/800826934.db2.gz CYWKKKAVIVHGIY-MRXNPFEDSA-N 1 1 298.430 3.028 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(C)c1Cl ZINC001028213195 800836117 /nfs/dbraw/zinc/83/61/17/800836117.db2.gz STSBGMBZXVLPSB-ZDUSSCGKSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001028278415 800837260 /nfs/dbraw/zinc/83/72/60/800837260.db2.gz MMGPIDHJYQIFRO-BRWVUGGUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(C(F)F)c1 ZINC001028272746 800837519 /nfs/dbraw/zinc/83/75/19/800837519.db2.gz ITUAQIHUAFMMNW-AWEZNQCLSA-N 1 1 294.345 3.004 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1oc2ccccc2c1C ZINC001028301188 800840882 /nfs/dbraw/zinc/84/08/82/800840882.db2.gz BGYPOTYLRFDEEE-AWEZNQCLSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C1CCC(C(=O)NC[C@H]2CC[N@H+](CC=C(C)C)C2)CC1 ZINC001028778838 800853133 /nfs/dbraw/zinc/85/31/33/800853133.db2.gz MPZAVTYRXFAMRU-MRXNPFEDSA-N 1 1 290.451 3.137 20 30 CGEDMO N#Cc1c[nH]c2cc[nH+]c(N3CCCC(F)(F)CC3)c12 ZINC001163981696 806869858 /nfs/dbraw/zinc/86/98/58/806869858.db2.gz FBHJWQOLDWRHNW-UHFFFAOYSA-N 1 1 276.290 3.060 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)[C@@]2(C)CCC(C)=C(C)C2)C1 ZINC001031460750 800911728 /nfs/dbraw/zinc/91/17/28/800911728.db2.gz YDOGWGDRDMBFIH-SFHVURJKSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2sccc2C)C1 ZINC001032867001 800941869 /nfs/dbraw/zinc/94/18/69/800941869.db2.gz SFZBAZDVWQNQEQ-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(C)c2)C1 ZINC001032878928 800942498 /nfs/dbraw/zinc/94/24/98/800942498.db2.gz BFDMZJUXMMDNAY-KRWDZBQOSA-N 1 1 286.419 3.108 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)CC2CCCCC2)C1 ZINC001032888744 800943839 /nfs/dbraw/zinc/94/38/39/800943839.db2.gz PLVJYUGWCCCTQM-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)C(F)=C2CCCC2)C1 ZINC001033008373 800949519 /nfs/dbraw/zinc/94/95/19/800949519.db2.gz HICGOOZZDSUWQT-OAHLLOKOSA-N 1 1 294.414 3.283 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@]2(C)CC=CCC2)C1 ZINC001033108133 800951783 /nfs/dbraw/zinc/95/17/83/800951783.db2.gz PUEMTOFSUKMBEW-FUHWJXTLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@H+]1CC[C@H](N(C)C(=O)c2scc(C)c2Cl)C1 ZINC001033107085 800952718 /nfs/dbraw/zinc/95/27/18/800952718.db2.gz SCQJDPPFEWMWMG-NSHDSACASA-N 1 1 298.839 3.042 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2scc(C)c2Cl)C1 ZINC001033107085 800952723 /nfs/dbraw/zinc/95/27/23/800952723.db2.gz SCQJDPPFEWMWMG-NSHDSACASA-N 1 1 298.839 3.042 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001033258430 800957869 /nfs/dbraw/zinc/95/78/69/800957869.db2.gz XSSJXJLHWSOEEG-BZUAXINKSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@H+](C[C@H](F)CC)C2)CC1 ZINC001033389588 800962203 /nfs/dbraw/zinc/96/22/03/800962203.db2.gz RETDPHCPSUFGAF-HZPDHXFCSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CC=C(C)C)C2)CC1 ZINC001033389764 800962420 /nfs/dbraw/zinc/96/24/20/800962420.db2.gz VCUKIDJTOFTYMG-QGZVFWFLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C1CCC(C(=O)N(C)[C@H]2CC[N@H+](C/C=C\Cl)C2)CC1 ZINC001033390005 800962464 /nfs/dbraw/zinc/96/24/64/800962464.db2.gz YKSRWRCSEZRQHT-YHTRPRNISA-N 1 1 296.842 3.018 20 30 CGEDMO C=C1CCC(C(=O)N(C)[C@H]2CC[N@@H+](C/C=C\Cl)C2)CC1 ZINC001033390005 800962467 /nfs/dbraw/zinc/96/24/67/800962467.db2.gz YKSRWRCSEZRQHT-YHTRPRNISA-N 1 1 296.842 3.018 20 30 CGEDMO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@H+](C/C=C\Cl)C2)CC1 ZINC001033390002 800962929 /nfs/dbraw/zinc/96/29/29/800962929.db2.gz YKSRWRCSEZRQHT-ACRUDFBXSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](C/C=C\Cl)C2)CC1 ZINC001033390002 800962934 /nfs/dbraw/zinc/96/29/34/800962934.db2.gz YKSRWRCSEZRQHT-ACRUDFBXSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C2(C)CCCCC2)C1 ZINC001033384186 800963273 /nfs/dbraw/zinc/96/32/73/800963273.db2.gz MFNBKUXKYJRJRB-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001033396766 800963220 /nfs/dbraw/zinc/96/32/20/800963220.db2.gz PAUMTKZMXDKXLN-BQFCYCMXSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C3CC3)cc2)C1 ZINC001033678980 800973627 /nfs/dbraw/zinc/97/36/27/800973627.db2.gz RJZLMGKCLQOGDO-GOSISDBHSA-N 1 1 298.430 3.286 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3cccc(C)c3o2)C1 ZINC001033687021 800974052 /nfs/dbraw/zinc/97/40/52/800974052.db2.gz WKQJCIPOFAKRQB-OAHLLOKOSA-N 1 1 298.386 3.074 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCCC2(C)C)C1 ZINC001033698488 800975197 /nfs/dbraw/zinc/97/51/97/800975197.db2.gz SKLHQWSLRXYWAF-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccccc2C)C1 ZINC001033735369 800980352 /nfs/dbraw/zinc/98/03/52/800980352.db2.gz YWIAMASXHHFBMD-MRXNPFEDSA-N 1 1 286.419 3.108 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2sc(C)cc2C)C1 ZINC001033845908 800986257 /nfs/dbraw/zinc/98/62/57/800986257.db2.gz IRQDPGKDVLGIPD-CQSZACIVSA-N 1 1 292.448 3.087 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](N(CC)C(=O)c2sccc2Cl)C1 ZINC001033840909 800986360 /nfs/dbraw/zinc/98/63/60/800986360.db2.gz MGLNUJFEWGLINT-LLVKDONJSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2sccc2Cl)C1 ZINC001033840909 800986365 /nfs/dbraw/zinc/98/63/65/800986365.db2.gz MGLNUJFEWGLINT-LLVKDONJSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001033952116 800990333 /nfs/dbraw/zinc/99/03/33/800990333.db2.gz MWAMNCQBXOQPEV-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+]1CCCC[C@@H](NC(=O)C2=CCCCCC2)C1 ZINC001034177597 801008595 /nfs/dbraw/zinc/00/85/95/801008595.db2.gz JGHQUBIXAMDKLO-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001034388589 801022833 /nfs/dbraw/zinc/02/28/33/801022833.db2.gz HQHFZDYQXAIJFZ-BQFCYCMXSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@H+](CCCC)C2)C1 ZINC001034389342 801024533 /nfs/dbraw/zinc/02/45/33/801024533.db2.gz PLWGLGMZHDAFMC-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001034407804 801024966 /nfs/dbraw/zinc/02/49/66/801024966.db2.gz DRFADBADLGYKPH-BRWVUGGUSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2csc(C)c2)C1 ZINC001034445472 801026980 /nfs/dbraw/zinc/02/69/80/801026980.db2.gz TYFSQXOGJOIYDW-HNNXBMFYSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001034481671 801028976 /nfs/dbraw/zinc/02/89/76/801028976.db2.gz WEBJSLNJICYCDG-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2cccc(Cl)c2)C1 ZINC001034505314 801030717 /nfs/dbraw/zinc/03/07/17/801030717.db2.gz DUFVATLZLXQRBK-OAHLLOKOSA-N 1 1 292.810 3.110 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001034543885 801032636 /nfs/dbraw/zinc/03/26/36/801032636.db2.gz BRWWJFDSWKXJAR-GPANFISMSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)CCC1CC1)CC2 ZINC001035169315 801054571 /nfs/dbraw/zinc/05/45/71/801054571.db2.gz ZCRJSRLDLXIDMV-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@](C)(C=C)CC)CC2 ZINC001035222257 801054999 /nfs/dbraw/zinc/05/49/99/801054999.db2.gz BMDDTAAJDIMVMM-KRWDZBQOSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC2(CC[N@H+](C(C)C)C2)CC1 ZINC001035214100 801055013 /nfs/dbraw/zinc/05/50/13/801055013.db2.gz YJOWQSOFOCCHFH-UHFFFAOYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)CC1(C)CC1)CC2 ZINC001035211100 801055604 /nfs/dbraw/zinc/05/56/04/801055604.db2.gz WJPXBYMEPYEDKL-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CC(C)C)C1 ZINC001036791757 801090249 /nfs/dbraw/zinc/09/02/49/801090249.db2.gz DHKFCDYOADZLAT-HZPDHXFCSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(C)c(C)c3)CC[C@H]21 ZINC001036885954 801093021 /nfs/dbraw/zinc/09/30/21/801093021.db2.gz SYFNZXILSKCZRN-ZWKOTPCHSA-N 1 1 298.430 3.026 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C(CC)(CC)CC)CC[C@H]21 ZINC001036856509 801093380 /nfs/dbraw/zinc/09/33/80/801093380.db2.gz SIULJUKWCVNLHQ-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C)c(Cl)c1 ZINC001038661681 801130559 /nfs/dbraw/zinc/13/05/59/801130559.db2.gz HZRGQHBQCKTHEC-AWEZNQCLSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1ccc(C)c(Cl)c1 ZINC001038661681 801130562 /nfs/dbraw/zinc/13/05/62/801130562.db2.gz HZRGQHBQCKTHEC-AWEZNQCLSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc([C@@H](C)CC)cc1 ZINC001039057318 801144175 /nfs/dbraw/zinc/14/41/75/801144175.db2.gz QWODXEWRWFONMZ-WMLDXEAASA-N 1 1 286.419 3.190 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc([C@@H](C)CC)cc1 ZINC001039057318 801144178 /nfs/dbraw/zinc/14/41/78/801144178.db2.gz QWODXEWRWFONMZ-WMLDXEAASA-N 1 1 286.419 3.190 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC([C@H]2CC[N@H+](CC)C2)CC1 ZINC001039153714 801150680 /nfs/dbraw/zinc/15/06/80/801150680.db2.gz FYQJOSGIYZZPSK-WMZOPIPTSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C2CCCC2)C1 ZINC001039178782 801150830 /nfs/dbraw/zinc/15/08/30/801150830.db2.gz WEJQHNYGRJPDSR-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC2CCC2)C1 ZINC001039195315 801153146 /nfs/dbraw/zinc/15/31/46/801153146.db2.gz FUSOBYILJCKJAI-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1CCCC1 ZINC001039326486 801158204 /nfs/dbraw/zinc/15/82/04/801158204.db2.gz APUADAICYBRCMJ-SJORKVTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(CC)cc1 ZINC001039465455 801162949 /nfs/dbraw/zinc/16/29/49/801162949.db2.gz HMBSVKAGBGAUIZ-MSOLQXFVSA-N 1 1 298.430 3.114 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C(C)C ZINC001039896047 801168091 /nfs/dbraw/zinc/16/80/91/801168091.db2.gz CDQPCTPOAALJQE-UXLLHSPISA-N 1 1 278.440 3.062 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C)CC)C2)C1 ZINC001040082435 801172865 /nfs/dbraw/zinc/17/28/65/801172865.db2.gz DZBNYMZTMQTHKH-BBRMVZONSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C)CC)C2)C1 ZINC001040082435 801172866 /nfs/dbraw/zinc/17/28/66/801172866.db2.gz DZBNYMZTMQTHKH-BBRMVZONSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC)C2 ZINC001040225577 801175087 /nfs/dbraw/zinc/17/50/87/801175087.db2.gz UZZZCVQGKADABF-INIZCTEOSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@]2(C1)CCC[N@H+](CCC)C2 ZINC001040370219 801176787 /nfs/dbraw/zinc/17/67/87/801176787.db2.gz ZFDVYITXJQSXGY-ZWKOTPCHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C)C(C)C)C2)C1 ZINC001040424973 801177101 /nfs/dbraw/zinc/17/71/01/801177101.db2.gz OCZOBYBIWNUCIP-FUHWJXTLSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(CC)CC)C2)C1 ZINC001041841731 801194364 /nfs/dbraw/zinc/19/43/64/801194364.db2.gz SQJUTEZKEIIJBT-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C3(C)CCCC3)C[C@@H]21 ZINC001042169850 801201407 /nfs/dbraw/zinc/20/14/07/801201407.db2.gz MVFNLGXTCDJKQC-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[NH+]1CC(N(C)C(=O)c2cccc(C(C)C)c2)C1 ZINC001044138118 801230651 /nfs/dbraw/zinc/23/06/51/801230651.db2.gz LRTJCXYMWQGORB-UHFFFAOYSA-N 1 1 286.419 3.142 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC1CC1)C2 ZINC001045906675 801292041 /nfs/dbraw/zinc/29/20/41/801292041.db2.gz GCNIOKXQQXLJCR-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1(C)CC1)C2 ZINC001045939541 801295507 /nfs/dbraw/zinc/29/55/07/801295507.db2.gz CDSFMVVBOOOHQI-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccoc2CC)C1 ZINC001046274574 801306029 /nfs/dbraw/zinc/30/60/29/801306029.db2.gz ACAWAYORLAEBCX-QGZVFWFLSA-N 1 1 290.407 3.002 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)c2sccc2F)C1 ZINC001046295465 801308553 /nfs/dbraw/zinc/30/85/53/801308553.db2.gz BAOYQNWNDKDLSA-OAHLLOKOSA-N 1 1 296.411 3.048 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2sc(C)cc2C)C1 ZINC001046356008 801309505 /nfs/dbraw/zinc/30/95/05/801309505.db2.gz RTAOEZPYSSWYLE-INIZCTEOSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2cc(C)cc(Cl)c2)C1 ZINC001046486492 801311530 /nfs/dbraw/zinc/31/15/30/801311530.db2.gz JYBSXMQBHXTZEU-MRXNPFEDSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(CC)s2)C1 ZINC001046454225 801311920 /nfs/dbraw/zinc/31/19/20/801311920.db2.gz GEIPGYKXDOGDHC-INIZCTEOSA-N 1 1 292.448 3.081 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)c2occc2Cl)C1 ZINC001046595741 801316040 /nfs/dbraw/zinc/31/60/40/801316040.db2.gz NKZNQTZHIPOITB-OAHLLOKOSA-N 1 1 296.798 3.093 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)c2cc(Cl)ccc2C)C1 ZINC001046710329 801321027 /nfs/dbraw/zinc/32/10/27/801321027.db2.gz OIQJXWUWFPSDRU-INIZCTEOSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)c2cc(C(C)C)oc2C)C1 ZINC001046739057 801322155 /nfs/dbraw/zinc/32/21/55/801322155.db2.gz IHFBNZMPNSAHIQ-KRWDZBQOSA-N 1 1 290.407 3.092 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001046860975 801331369 /nfs/dbraw/zinc/33/13/69/801331369.db2.gz RABGJSXEBVFFKX-YJBOKZPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)=C1CCC1 ZINC001049466441 801373202 /nfs/dbraw/zinc/37/32/02/801373202.db2.gz FANGOXGVPIUSQD-SJORKVTESA-N 1 1 288.435 3.128 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC(C)(C)C1CC1 ZINC001049456614 801374217 /nfs/dbraw/zinc/37/42/17/801374217.db2.gz NGAKRRZEKOIMLM-HOTGVXAUSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)C(C)(C)C ZINC001049552095 801376447 /nfs/dbraw/zinc/37/64/47/801376447.db2.gz LNCLSKUIDXQDQJ-OWCLPIDISA-N 1 1 292.467 3.310 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)C1CCC1 ZINC001049619922 801378308 /nfs/dbraw/zinc/37/83/08/801378308.db2.gz XTZJELHKBYSARL-HZPDHXFCSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2C/C=C\Cl ZINC001049637165 801379964 /nfs/dbraw/zinc/37/99/64/801379964.db2.gz FWCJYVDBRHXFHZ-MVUUYHCISA-N 1 1 296.842 3.016 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1(CC)CCC1 ZINC001049645089 801380504 /nfs/dbraw/zinc/38/05/04/801380504.db2.gz LUHKBQDDQANOMU-HOTGVXAUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)C1CC1 ZINC001049660474 801381936 /nfs/dbraw/zinc/38/19/36/801381936.db2.gz NRKGSLOMZTVTLX-JKSUJKDBSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC1(C)C ZINC001049664310 801383083 /nfs/dbraw/zinc/38/30/83/801383083.db2.gz RBLVVUDZQLVBRD-OWCLPIDISA-N 1 1 290.451 3.064 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC ZINC001049696817 801383690 /nfs/dbraw/zinc/38/36/90/801383690.db2.gz AIILPMMKJINRCL-HLLBOEOZSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)CC ZINC001049693375 801383700 /nfs/dbraw/zinc/38/37/00/801383700.db2.gz YKZYRXONTJXVBJ-HUUCEWRRSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(CC)CC1 ZINC001049697099 801384248 /nfs/dbraw/zinc/38/42/48/801384248.db2.gz IJMSVYFIMAEQLH-JKSUJKDBSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC1CC(C)(C)C1 ZINC001049669172 801384783 /nfs/dbraw/zinc/38/47/83/801384783.db2.gz RGCXDRMFIKCKSN-HZPDHXFCSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1CCC ZINC001049702074 801386844 /nfs/dbraw/zinc/38/68/44/801386844.db2.gz JBSWCHRBTGXERS-QBPKDAKJSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CCCC)C1 ZINC001049702281 801387046 /nfs/dbraw/zinc/38/70/46/801387046.db2.gz JSYNUADTTZXODH-CVEARBPZSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC(C)C ZINC001049699482 801387459 /nfs/dbraw/zinc/38/74/59/801387459.db2.gz HZQQVIDFGAGWNB-SOLBZPMBSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](C)C1CC1 ZINC001049923319 801394009 /nfs/dbraw/zinc/39/40/09/801394009.db2.gz USUCPUUEBSLCLZ-BHYGNILZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)C(CC)CC)[C@@H]2C1 ZINC001049978367 801395760 /nfs/dbraw/zinc/39/57/60/801395760.db2.gz WGBLAHUTMIWVEN-LSDHHAIUSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)C(CC)CC)[C@@H]2C1 ZINC001049978367 801395766 /nfs/dbraw/zinc/39/57/66/801395766.db2.gz WGBLAHUTMIWVEN-LSDHHAIUSA-N 1 1 298.858 3.098 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(C)cc3C)[C@@H]2C1 ZINC001050195260 801399854 /nfs/dbraw/zinc/39/98/54/801399854.db2.gz OUFODNLFAIHEIH-FUHWJXTLSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2cccs2)CC1 ZINC001052171511 801423208 /nfs/dbraw/zinc/42/32/08/801423208.db2.gz MSSWYLUXVDNHAA-AWEZNQCLSA-N 1 1 292.448 3.299 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](NC(=O)C=C2CCCCC2)CC1 ZINC001052230921 801426532 /nfs/dbraw/zinc/42/65/32/801426532.db2.gz HLEBPJLIQGIQSX-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C#CC(C)(C)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256523555 806910009 /nfs/dbraw/zinc/91/00/09/806910009.db2.gz PVVHOEVZDPOKCD-WBVHZDCISA-N 1 1 270.420 3.041 20 30 CGEDMO C#CC(C)(C)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256523555 806910011 /nfs/dbraw/zinc/91/00/11/806910011.db2.gz PVVHOEVZDPOKCD-WBVHZDCISA-N 1 1 270.420 3.041 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2occc2Cl)CC1 ZINC001052686659 801446481 /nfs/dbraw/zinc/44/64/81/801446481.db2.gz MFTJSXCMRNFMFD-GFCCVEGCSA-N 1 1 296.798 3.093 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2occc2CC)CC1 ZINC001052686678 801447074 /nfs/dbraw/zinc/44/70/74/801447074.db2.gz MQJBCZFTEJGBQN-OAHLLOKOSA-N 1 1 290.407 3.002 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)cc2)CC1 ZINC001052885202 801455215 /nfs/dbraw/zinc/45/52/15/801455215.db2.gz PCIDOZQGLKMJOE-OAHLLOKOSA-N 1 1 292.810 3.110 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC(C)(C)C2)CC1 ZINC001052962596 801458192 /nfs/dbraw/zinc/45/81/92/801458192.db2.gz HENMAXHKHZUJFV-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCCC2(C)C)CC1 ZINC001052963977 801458216 /nfs/dbraw/zinc/45/82/16/801458216.db2.gz DJVPWYIVGVQMLY-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC)C1 ZINC001053059413 801463519 /nfs/dbraw/zinc/46/35/19/801463519.db2.gz TTZAICRLKXSSJA-HOTGVXAUSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C=C(C)C)C1 ZINC001053061287 801465266 /nfs/dbraw/zinc/46/52/66/801465266.db2.gz PGPUZIVBDHZKAP-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(CC)CC)C2 ZINC001054242572 801479696 /nfs/dbraw/zinc/47/96/96/801479696.db2.gz OAUSHFVNQBMGEL-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)c3ccccc3)cc2C1 ZINC001054252998 801482318 /nfs/dbraw/zinc/48/23/18/801482318.db2.gz JZXLGHKXRSMCMY-UHFFFAOYSA-N 1 1 292.382 3.118 20 30 CGEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)c3ccccc3)cc2C1 ZINC001054252998 801482321 /nfs/dbraw/zinc/48/23/21/801482321.db2.gz JZXLGHKXRSMCMY-UHFFFAOYSA-N 1 1 292.382 3.118 20 30 CGEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)c3ccc(C)o3)cc2C1 ZINC001054254572 801482622 /nfs/dbraw/zinc/48/26/22/801482622.db2.gz AWRZQAQKMDFAKH-UHFFFAOYSA-N 1 1 296.370 3.020 20 30 CGEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)c3ccc(C)o3)cc2C1 ZINC001054254572 801482629 /nfs/dbraw/zinc/48/26/29/801482629.db2.gz AWRZQAQKMDFAKH-UHFFFAOYSA-N 1 1 296.370 3.020 20 30 CGEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)c3coc(C)c3)cc2C1 ZINC001054261484 801484925 /nfs/dbraw/zinc/48/49/25/801484925.db2.gz GFRLFWKBFVAYEX-UHFFFAOYSA-N 1 1 296.370 3.020 20 30 CGEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)c3coc(C)c3)cc2C1 ZINC001054261484 801484929 /nfs/dbraw/zinc/48/49/29/801484929.db2.gz GFRLFWKBFVAYEX-UHFFFAOYSA-N 1 1 296.370 3.020 20 30 CGEDMO C[C@@H]1C[C@H](N2CCC[C@@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC001256556236 806914327 /nfs/dbraw/zinc/91/43/27/806914327.db2.gz XRAKUXTZOGEPRP-NZSAHSFTSA-N 1 1 297.446 3.275 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2sccc2C)CC[C@H]1C ZINC001071297608 801521418 /nfs/dbraw/zinc/52/14/18/801521418.db2.gz URLKRGWDJQTRNK-KGLIPLIRSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)C2CCCCC2)CC[C@@H]1C ZINC001071322135 801528689 /nfs/dbraw/zinc/52/86/89/801528689.db2.gz TZPDZFHCLZAKIH-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2oc(C)cc2C)CC[C@@H]1C ZINC001071398736 801533742 /nfs/dbraw/zinc/53/37/42/801533742.db2.gz IRCPNJXKGMVEOH-DZGCQCFKSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C(F)=C2CCCC2)CC[C@H]1C ZINC001071427556 801536069 /nfs/dbraw/zinc/53/60/69/801536069.db2.gz NBGCHRYJJVCGLG-HIFRSBDPSA-N 1 1 294.414 3.329 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C(C)=C2CCC2)CC[C@H]1C ZINC001071488128 801541152 /nfs/dbraw/zinc/54/11/52/801541152.db2.gz PUPQSUUOIKTHHQ-CJNGLKHVSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCC[N@H+]1C[C@H](NC(=O)c2ccc(CC)o2)CC[C@H]1C ZINC001071620082 801545527 /nfs/dbraw/zinc/54/55/27/801545527.db2.gz ZRVLULSPOGUPLA-ZIAGYGMSSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C2CCC2)CC[C@H]1C ZINC001071708318 801545787 /nfs/dbraw/zinc/54/57/87/801545787.db2.gz DDXPYPXHIZFXPI-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C2(C)CCCC2)CC[C@H]1C ZINC001071716279 801546972 /nfs/dbraw/zinc/54/69/72/801546972.db2.gz RZDQOJBFGHDQCU-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CCC(C)C)C2)C1 ZINC001071803450 801554861 /nfs/dbraw/zinc/55/48/61/801554861.db2.gz MFRKTTNELJMAHQ-JKSUJKDBSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C2(C)C(C)(C)C2(C)C)CC[C@@H]1C ZINC001072115783 801565325 /nfs/dbraw/zinc/56/53/25/801565325.db2.gz CGLOMRCNYYXPFD-KBPBESRZSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2coc3ccccc23)CC[C@@H]1C ZINC001072119825 801566020 /nfs/dbraw/zinc/56/60/20/801566020.db2.gz KKGDIKGVKFEDJZ-UONOGXRCSA-N 1 1 298.386 3.202 20 30 CGEDMO C=C(C)C[N@@H+]1CCC2(CN(C(=O)C3(CC)CCCC3)C2)C1 ZINC001073098817 801578017 /nfs/dbraw/zinc/57/80/17/801578017.db2.gz SNXMTHUUZUUUMA-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C)ccc3C)[C@@H]2C1 ZINC001076497969 801619001 /nfs/dbraw/zinc/61/90/01/801619001.db2.gz XIXBFYKXZLHIFW-FUHWJXTLSA-N 1 1 298.430 3.026 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C3CCC3)cc2)C1 ZINC001079808889 801646591 /nfs/dbraw/zinc/64/65/91/801646591.db2.gz HDVOCSOUXDEPDO-RDTXWAMCSA-N 1 1 298.430 3.190 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccsc2C)C1 ZINC001079669945 801647291 /nfs/dbraw/zinc/64/72/91/801647291.db2.gz GUMDIKXRDMGLTC-IUODEOHRSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001081027684 801659830 /nfs/dbraw/zinc/65/98/30/801659830.db2.gz YYLLXWBZEBHWQV-PRLABOORSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(CC)CCCC3)[C@@H]2C1 ZINC001084749649 801670598 /nfs/dbraw/zinc/67/05/98/801670598.db2.gz AYDLCPDSQDIOIZ-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1occc1Cl ZINC001085802333 801704580 /nfs/dbraw/zinc/70/45/80/801704580.db2.gz QZURPPFSDIHMTF-LBPRGKRZSA-N 1 1 296.798 3.046 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1csc(Cl)c1 ZINC001085854183 801709536 /nfs/dbraw/zinc/70/95/36/801709536.db2.gz SBISIKLNLLXCTG-LBPRGKRZSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1Cl ZINC001085938507 801711868 /nfs/dbraw/zinc/71/18/68/801711868.db2.gz IVYYMSFMKVMQKJ-ZDUSSCGKSA-N 1 1 292.810 3.062 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(C)c1C ZINC001085954488 801715296 /nfs/dbraw/zinc/71/52/96/801715296.db2.gz BVBRHYGLZYMSNE-INIZCTEOSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C(C)C)C(C)(C)[C@H]21 ZINC001087274773 801748558 /nfs/dbraw/zinc/74/85/58/801748558.db2.gz WNBSCPKPBUIMTP-OAGGEKHMSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(C)CC(=C)C2)[C@H]1CC ZINC001087714424 801763672 /nfs/dbraw/zinc/76/36/72/801763672.db2.gz MWOYCAXFVIYPRZ-UONOGXRCSA-N 1 1 296.842 3.064 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(C)CC(=C)C2)[C@H]1CC ZINC001087714424 801763679 /nfs/dbraw/zinc/76/36/79/801763679.db2.gz MWOYCAXFVIYPRZ-UONOGXRCSA-N 1 1 296.842 3.064 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CC2CC(C)(C)C2)[C@H]1CC ZINC001087698998 801764924 /nfs/dbraw/zinc/76/49/24/801764924.db2.gz WWUXGVFYRLABGC-JKSUJKDBSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](C/C=C/Cl)[C@@H]2CC)C1 ZINC001087718610 801765558 /nfs/dbraw/zinc/76/55/58/801765558.db2.gz XVCDSDBNQSKQPS-CXSYMGSUSA-N 1 1 296.842 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC=CCCC2)[C@H]1C ZINC001088657006 801805418 /nfs/dbraw/zinc/80/54/18/801805418.db2.gz NTOLGXCAGWILBB-ZACQAIPSSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2CCC=CCC2)[C@H]1C ZINC001089045288 801818645 /nfs/dbraw/zinc/81/86/45/801818645.db2.gz JEUIOFRSHQBUKS-WBVHZDCISA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2)CC(C)(C)C1 ZINC001089302623 801831292 /nfs/dbraw/zinc/83/12/92/801831292.db2.gz GNSAAXCZKWWIJQ-INIZCTEOSA-N 1 1 286.419 3.093 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](CCC)CC(C)(C)C2)C1 ZINC001089485115 801841807 /nfs/dbraw/zinc/84/18/07/801841807.db2.gz HBSFDVGJZONLFQ-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CCCC1)C2 ZINC001095126664 801880092 /nfs/dbraw/zinc/88/00/92/801880092.db2.gz JCTMPONKHQQHEH-IKGGRYGDSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CCCCC1)C2 ZINC001095145888 801880382 /nfs/dbraw/zinc/88/03/82/801880382.db2.gz XIHUSWIDNHPWAB-IKGGRYGDSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@@H](C)CC)C1 ZINC001095982615 801887372 /nfs/dbraw/zinc/88/73/72/801887372.db2.gz GNBBNRJKOZMIAK-UKMLZYKCSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[C@H](CC)CC1)C2 ZINC001096390908 801890249 /nfs/dbraw/zinc/89/02/49/801890249.db2.gz RMHRBVOCLLLADY-MTSZKFMLSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CCCCC1)C2 ZINC001096765676 801895652 /nfs/dbraw/zinc/89/56/52/801895652.db2.gz HWBOERJSJYBRCW-ZACQAIPSSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC=CCCC1)C2 ZINC001097319091 801900426 /nfs/dbraw/zinc/90/04/26/801900426.db2.gz AKQFKZURXJEXBC-VQHPVUNQSA-N 1 1 288.435 3.030 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CC)C2 ZINC001097735971 801903845 /nfs/dbraw/zinc/90/38/45/801903845.db2.gz SDVFCFDAVMXBIQ-NXHRZFHOSA-N 1 1 298.430 3.160 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[C@H](C)CC1)C2 ZINC001098247381 801907546 /nfs/dbraw/zinc/90/75/46/801907546.db2.gz YRHLIDBTLJPNKN-HHARLNAUSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCCC1(C)C)C2 ZINC001098474872 801910300 /nfs/dbraw/zinc/91/03/00/801910300.db2.gz ORTXSVTZGJMZEE-FPCVCCKLSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CC1 ZINC001099097670 801928190 /nfs/dbraw/zinc/92/81/90/801928190.db2.gz CEDLSVRRTYWJHO-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C)cc(C)c2)C1 ZINC001099137627 801930370 /nfs/dbraw/zinc/93/03/70/801930370.db2.gz VHBHGYAOBVQAHF-HKUYNNGSSA-N 1 1 298.430 3.074 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C)cc2C)C1 ZINC001099144010 801931063 /nfs/dbraw/zinc/93/10/63/801931063.db2.gz FGMSXJFIXWDARS-LPHOPBHVSA-N 1 1 298.430 3.074 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)CC=C ZINC001099250980 801933573 /nfs/dbraw/zinc/93/35/73/801933573.db2.gz DXGYYDHZGPEZIE-OAHLLOKOSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)C(C)C ZINC001099257329 801935055 /nfs/dbraw/zinc/93/50/55/801935055.db2.gz DITFGWOTHSHZCJ-HOTGVXAUSA-N 1 1 294.483 3.461 20 30 CGEDMO C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](CC)CCC ZINC001099286465 801936439 /nfs/dbraw/zinc/93/64/39/801936439.db2.gz YCZFCPIOWSVVSU-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC)CCC ZINC001099286463 801936808 /nfs/dbraw/zinc/93/68/08/801936808.db2.gz YCZFCPIOWSVVSU-CVEARBPZSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CCC(=O)N1C[C@H]2C[N@H+](CCCCC)C[C@@]2(C)C1 ZINC001101254332 801976674 /nfs/dbraw/zinc/97/66/74/801976674.db2.gz MQRTUEPCDJZWBH-AEFFLSMTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCCC(=O)N1C[C@H]2C[N@H+](CCC(C)C)C[C@@]2(C)C1 ZINC001101346856 801978351 /nfs/dbraw/zinc/97/83/51/801978351.db2.gz KSAYNYWNBVAIRP-AEFFLSMTSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)CCC)[C@H](C)C1 ZINC001101829146 801990946 /nfs/dbraw/zinc/99/09/46/801990946.db2.gz SGUZWAQHCPVTPJ-ARFHVFGLSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCC1(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)C[C@H]2C)CC1 ZINC001102328255 802003944 /nfs/dbraw/zinc/00/39/44/802003944.db2.gz BOCBNMYDNCDBDZ-HZPDHXFCSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1C ZINC001102263048 802004725 /nfs/dbraw/zinc/00/47/25/802004725.db2.gz TVOFANXSUSQDJO-BFYDXBDKSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](CNC(=O)CCCC(C)C)[C@H](C)C1 ZINC001102395938 802005924 /nfs/dbraw/zinc/00/59/24/802005924.db2.gz FHBXNWRQSPOZCD-HZPDHXFCSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](CNC(=O)C2(CC)CC2)[C@H](C)C1 ZINC001102333306 802007732 /nfs/dbraw/zinc/00/77/32/802007732.db2.gz PCGFJFIJJUUDAE-OWCLPIDISA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)CCC)C1 ZINC001102789764 802019753 /nfs/dbraw/zinc/01/97/53/802019753.db2.gz PKIBJJWQOQAGHM-GVDBMIGSSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)/C(C)=C\CC)C1 ZINC001102728533 802019842 /nfs/dbraw/zinc/01/98/42/802019842.db2.gz XBADWJPXYQWLGX-CTOSAQQISA-N 1 1 292.467 3.383 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC(C)(C)C2)C1 ZINC001102938035 802023665 /nfs/dbraw/zinc/02/36/65/802023665.db2.gz QZJLLLQPIIMRMT-HUUCEWRRSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(C)CCCC2)C1 ZINC001103284969 802028787 /nfs/dbraw/zinc/02/87/87/802028787.db2.gz HGGMVCYUZJRULZ-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[C@@H]1C[N@@H+](CCCC)C[C@H]1C ZINC001103313327 802029869 /nfs/dbraw/zinc/02/98/69/802029869.db2.gz KDJBXXUKRIWXMP-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NCC[C@@H]1C[N@@H+](CCC)C[C@H]1C ZINC001103346379 802031346 /nfs/dbraw/zinc/03/13/46/802031346.db2.gz KEVMXJNHORZHGG-ARFHVFGLSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCCC(=O)NCC[C@@H]1C[N@@H+](C[C@@H](C)CC)C[C@H]1C ZINC001103382573 802032374 /nfs/dbraw/zinc/03/23/74/802032374.db2.gz MWZHBLZJQBKERL-GVDBMIGSSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC1(C(=O)NCC[C@@H]2C[N@@H+](CCC)C[C@H]2C)CCC1 ZINC001103404423 802033351 /nfs/dbraw/zinc/03/33/51/802033351.db2.gz AQCXEWJSICWBEZ-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCC[C@@H]1C[N@@H+](CC(=C)C)C[C@H]1C ZINC001103401855 802033846 /nfs/dbraw/zinc/03/38/46/802033846.db2.gz QTABBOZRNJFAIU-JFIYKMOQSA-N 1 1 292.467 3.239 20 30 CGEDMO C=C[C@H](CC)CC(=O)NCC[C@@H]1C[N@@H+](CCCC)C[C@H]1C ZINC001103350026 802034007 /nfs/dbraw/zinc/03/40/07/802034007.db2.gz BFJVRDOVXWPECR-BRWVUGGUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](C[C@@H](F)CC)CC2 ZINC001107326653 802085960 /nfs/dbraw/zinc/08/59/60/802085960.db2.gz CTYSJOSRKSGVIB-ZMSDIMECSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC1CC1)CC2 ZINC001107327297 802086588 /nfs/dbraw/zinc/08/65/88/802086588.db2.gz WWUUBPNCTKDBJY-SJLPKXTDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C(C)=C\CC)C2 ZINC001109009678 802105780 /nfs/dbraw/zinc/10/57/80/802105780.db2.gz UHPNTRNSGYWRRC-FKVYIUJISA-N 1 1 276.424 3.030 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1(C)CCCC1)C2 ZINC001109231771 802112400 /nfs/dbraw/zinc/11/24/00/802112400.db2.gz XLMYAEWXYQVJFL-PMPSAXMXSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCC1 ZINC001109350172 802114591 /nfs/dbraw/zinc/11/45/91/802114591.db2.gz UKUJISXIAROINZ-IKGGRYGDSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@@H](C)F ZINC001109342998 802114860 /nfs/dbraw/zinc/11/48/60/802114860.db2.gz FGLMSDWNWSMOMT-KBXIAJHMSA-N 1 1 296.430 3.058 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1 ZINC001109678575 802122126 /nfs/dbraw/zinc/12/21/26/802122126.db2.gz ANCCBHLVBCLOJI-MUQADHOPSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)C ZINC001109678939 802123686 /nfs/dbraw/zinc/12/36/86/802123686.db2.gz MROFOLBHXYQLDE-CVYDXHPNSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@@H](C)F ZINC001109769569 802125391 /nfs/dbraw/zinc/12/53/91/802125391.db2.gz JXKLNJHOJYQMKB-KBXIAJHMSA-N 1 1 296.430 3.058 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H](C)CC)C2 ZINC001109874581 802127407 /nfs/dbraw/zinc/12/74/07/802127407.db2.gz KNOJRQCDPTVWEH-FZKCQIBNSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C(C)C)CCCC1 ZINC001110215278 802132656 /nfs/dbraw/zinc/13/26/56/802132656.db2.gz XTAFRBLZTZRXJU-PMPSAXMXSA-N 1 1 290.451 3.253 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1C)C2 ZINC001110246365 802133760 /nfs/dbraw/zinc/13/37/60/802133760.db2.gz HEHRSQVIGHQMOG-NXHRZFHOSA-N 1 1 298.430 3.296 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccs1)C2 ZINC001110249632 802135051 /nfs/dbraw/zinc/13/50/51/802135051.db2.gz BDHKKSGGYXLVEO-MCIONIFRSA-N 1 1 290.432 3.049 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)CCCC)C2 ZINC001110313168 802135960 /nfs/dbraw/zinc/13/59/60/802135960.db2.gz BPNZKKUZCCFZKP-JJXSEGSLSA-N 1 1 278.440 3.110 20 30 CGEDMO C#CCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC ZINC001110900619 802148091 /nfs/dbraw/zinc/14/80/91/802148091.db2.gz JJUKOBYWMVIQIF-ZACQAIPSSA-N 1 1 290.451 3.092 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C/Cl ZINC001110934699 802150920 /nfs/dbraw/zinc/15/09/20/802150920.db2.gz KZLXVFZPINWFQY-OMXYWLAASA-N 1 1 296.842 3.063 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C/C=C/Cl ZINC001110934699 802150922 /nfs/dbraw/zinc/15/09/22/802150922.db2.gz KZLXVFZPINWFQY-OMXYWLAASA-N 1 1 296.842 3.063 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)CCC)C1 ZINC001111650311 802164660 /nfs/dbraw/zinc/16/46/60/802164660.db2.gz MQUPUXQDRYRIGK-BQFCYCMXSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@]12CCC[C@H]1C[N@H+](C(C)C)C2 ZINC001111759931 802169234 /nfs/dbraw/zinc/16/92/34/802169234.db2.gz PQKFCDLULLMQEB-WMZOPIPTSA-N 1 1 290.451 3.134 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC(C)(C)C)C1 ZINC001111911197 802171732 /nfs/dbraw/zinc/17/17/32/802171732.db2.gz BVEGJEDBWFSMNP-YJBOKZPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCCC[NH+]1CCN(C(=O)CSC(C)C)CC1 ZINC001112626161 802182931 /nfs/dbraw/zinc/18/29/31/802182931.db2.gz ZUXNZDRFOIWRCP-UHFFFAOYSA-N 1 1 298.496 3.019 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[C@H](C)CC ZINC001114330578 802240533 /nfs/dbraw/zinc/24/05/33/802240533.db2.gz HCQFMSUCZSQJTI-CBZIJGRNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001116345811 802331748 /nfs/dbraw/zinc/33/17/48/802331748.db2.gz HPKBMIVRGMOXFK-LSDHHAIUSA-N 1 1 299.418 3.069 20 30 CGEDMO Cc1ccc(N=NC2CC[N@H+]3CCC[C@H]23)cc1Cl ZINC001116422285 802345935 /nfs/dbraw/zinc/34/59/35/802345935.db2.gz QTCNAGFIQMEPPG-CQSZACIVSA-N 1 1 263.772 3.284 20 30 CGEDMO CC[N@@H+](Cc1ccc(-c2cnn(C)c2)cc1)C[C@H](C)C#N ZINC001116877053 802423335 /nfs/dbraw/zinc/42/33/35/802423335.db2.gz HMAAVJNHFZBMIR-CQSZACIVSA-N 1 1 282.391 3.069 20 30 CGEDMO CC[N@H+](Cc1ccc(-c2cnn(C)c2)cc1)C[C@H](C)C#N ZINC001116877053 802423342 /nfs/dbraw/zinc/42/33/42/802423342.db2.gz HMAAVJNHFZBMIR-CQSZACIVSA-N 1 1 282.391 3.069 20 30 CGEDMO C=C(Cl)COc1ccc([C@@H](C)NC[C@H](C)C[NH2+]C)cc1 ZINC001118057651 802521396 /nfs/dbraw/zinc/52/13/96/802521396.db2.gz FTWKTDUZXYTASU-TZMCWYRMSA-N 1 1 296.842 3.324 20 30 CGEDMO C#C[C@H]([NH2+]Cc1csc(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC001118804265 802605809 /nfs/dbraw/zinc/60/58/09/802605809.db2.gz DZRRPVSSCDDIGO-QWRGUYRKSA-N 1 1 289.322 3.037 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1csc(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC001118804264 802606004 /nfs/dbraw/zinc/60/60/04/802606004.db2.gz DZRRPVSSCDDIGO-MNOVXSKESA-N 1 1 289.322 3.037 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC001119729302 802695769 /nfs/dbraw/zinc/69/57/69/802695769.db2.gz NKPPDMQJNAEOQW-PMPSAXMXSA-N 1 1 293.357 3.312 20 30 CGEDMO CO[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C#N)c2)CC[C@H]1C ZINC001119761301 802697954 /nfs/dbraw/zinc/69/79/54/802697954.db2.gz MNXSVZKXSAPDOX-IAQYHMDHSA-N 1 1 278.783 3.068 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CCC)C1 ZINC001120347186 802740479 /nfs/dbraw/zinc/74/04/79/802740479.db2.gz DODKCJNUYLMFPU-HOTGVXAUSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCCF)C1 ZINC001120423637 802744758 /nfs/dbraw/zinc/74/47/58/802744758.db2.gz VVWYGFZNOVGGIZ-HOTGVXAUSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC[C@@H]1CCCN1C(=O)Nc1cc(C)[nH+]c(C)c1 ZINC001123314376 802926020 /nfs/dbraw/zinc/92/60/20/802926020.db2.gz MPEZUVBOOKONCJ-OAHLLOKOSA-N 1 1 273.380 3.083 20 30 CGEDMO COc1ccc(-c2cc3[nH]ccc3c(C)[nH+]2)c(C#N)c1 ZINC001243729487 802970105 /nfs/dbraw/zinc/97/01/05/802970105.db2.gz HLPKTUGQEYHSPZ-UHFFFAOYSA-N 1 1 263.300 3.419 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2cnc(N)nc2)cc1 ZINC001243877163 803057460 /nfs/dbraw/zinc/05/74/60/803057460.db2.gz BJEZPBKNIHXDJB-MRXNPFEDSA-N 1 1 280.375 3.049 20 30 CGEDMO C=CCCCCCC[N@@H+]1CCCC[C@](F)(CN)C1 ZINC001206337268 813293553 /nfs/dbraw/zinc/29/35/53/813293553.db2.gz RLGNPGHQSBVRSH-HNNXBMFYSA-N 1 1 256.409 3.276 20 30 CGEDMO C=CCCCCCCN1CCCC[C@](F)(C[NH3+])C1 ZINC001206337268 813293557 /nfs/dbraw/zinc/29/35/57/813293557.db2.gz RLGNPGHQSBVRSH-HNNXBMFYSA-N 1 1 256.409 3.276 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)/C=C(/C)C2CC2)CC[C@H]1C ZINC001131861845 803352849 /nfs/dbraw/zinc/35/28/49/803352849.db2.gz PVDKYOXFGMHXBG-VDEVMWONSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCC(C)(C)C)C1 ZINC001131895662 803355745 /nfs/dbraw/zinc/35/57/45/803355745.db2.gz LHGPCPKVFLNMBH-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)CCCC(C)(C)C)CC[C@@H]1C ZINC001131900344 803356446 /nfs/dbraw/zinc/35/64/46/803356446.db2.gz XCYCLHZJTOIRKQ-GJZGRUSLSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)CC(C)(C)C2CC2)CC[C@H]1C ZINC001132006188 803365838 /nfs/dbraw/zinc/36/58/38/803365838.db2.gz HDKTZWFMPXYLLW-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)/C=C(\C)CC)CC[C@@H]1C ZINC001132014015 803367265 /nfs/dbraw/zinc/36/72/65/803367265.db2.gz QIRDKMZHEBJUEP-PMGKTQQESA-N 1 1 284.831 3.064 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@H](NC(=O)/C=C(\C)CC)CC[C@@H]1C ZINC001132014015 803367270 /nfs/dbraw/zinc/36/72/70/803367270.db2.gz QIRDKMZHEBJUEP-PMGKTQQESA-N 1 1 284.831 3.064 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)/C=C(/C)CC)CC[C@H]1C ZINC001132014016 803367287 /nfs/dbraw/zinc/36/72/87/803367287.db2.gz QIRDKMZHEBJUEP-RDNHTORASA-N 1 1 284.831 3.064 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@H](NC(=O)/C=C(/C)CC)CC[C@H]1C ZINC001132014016 803367294 /nfs/dbraw/zinc/36/72/94/803367294.db2.gz QIRDKMZHEBJUEP-RDNHTORASA-N 1 1 284.831 3.064 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)CC(C)(C)CC)CC[C@H]1C ZINC001132054913 803370457 /nfs/dbraw/zinc/37/04/57/803370457.db2.gz UWWYPKYHTWFKEA-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[N@H+]1C[C@H](NC(=O)CC(C)(C)CC)CC[C@@H]1C ZINC001132064037 803371081 /nfs/dbraw/zinc/37/10/81/803371081.db2.gz CXCYMXNMDNMUCI-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCC)C1 ZINC001132077957 803372902 /nfs/dbraw/zinc/37/29/02/803372902.db2.gz JTHUYLFXCYJGOY-DGCLKSJQSA-N 1 1 286.847 3.144 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)C2(CC(C)C)CCC2)CC[C@H]1C ZINC001132168765 803376326 /nfs/dbraw/zinc/37/63/26/803376326.db2.gz FUKKJEUNJQWWPA-HZPDHXFCSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)C/C=C(/C)C=C)CC[C@H]1C ZINC001132225462 803381965 /nfs/dbraw/zinc/38/19/65/803381965.db2.gz XFLALPLQXBYFGE-CBNFBOEASA-N 1 1 290.451 3.444 20 30 CGEDMO C#CCCCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCC=C)C1 ZINC001132240728 803386098 /nfs/dbraw/zinc/38/60/98/803386098.db2.gz LFSVHPSFFNIWIG-DLBZAZTESA-N 1 1 290.451 3.115 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C2(CC=C)CCC2)CC[C@@H]1C ZINC001132282370 803391446 /nfs/dbraw/zinc/39/14/46/803391446.db2.gz KDCALUWLMPENNS-JKSUJKDBSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C2(CC=C)CCC2)CC[C@H]1C ZINC001132282367 803391813 /nfs/dbraw/zinc/39/18/13/803391813.db2.gz KDCALUWLMPENNS-CVEARBPZSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)CCCC(C)C)CC[C@@H]1C ZINC001132319055 803395367 /nfs/dbraw/zinc/39/53/67/803395367.db2.gz UBTFZBGFJJZMLY-JKSUJKDBSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCC2(C)CC2)CC[C@@H]1C ZINC001132413711 803402447 /nfs/dbraw/zinc/40/24/47/803402447.db2.gz GDIXTTQWNLLROW-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)C(C)(CC)CC)CC[C@@H]1C ZINC001132494583 803409256 /nfs/dbraw/zinc/40/92/56/803409256.db2.gz UPGKDICTGOFPAC-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO COc1ccc(-c2cc(N)c(C(F)(F)F)c[nH+]2)cc1C#N ZINC001244706158 803505982 /nfs/dbraw/zinc/50/59/82/803505982.db2.gz FSSLRPGKQXSJPA-UHFFFAOYSA-N 1 1 293.248 3.230 20 30 CGEDMO C=CC1(CC(=O)NC[C@H]2CCCC[N@@H+]2C)CCCCC1 ZINC001134767710 803555768 /nfs/dbraw/zinc/55/57/68/803555768.db2.gz DEMLSAMQQHHLAE-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO N#Cc1cccc(-c2cc(N3CCCC3)cc[nH+]2)c1F ZINC001245065680 803628912 /nfs/dbraw/zinc/62/89/12/803628912.db2.gz IAZUVSPJCSMREM-UHFFFAOYSA-N 1 1 267.307 3.360 20 30 CGEDMO C=CC[N@@H+](Cc1ccc2nccnc2c1)C(C)(C)C ZINC001137091093 803682497 /nfs/dbraw/zinc/68/24/97/803682497.db2.gz LLASEUCIAQRUNH-UHFFFAOYSA-N 1 1 255.365 3.416 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(OCC#N)cc2)CCC1(F)F ZINC001137115534 803685112 /nfs/dbraw/zinc/68/51/12/803685112.db2.gz TWYQJBIRILXVGO-UHFFFAOYSA-N 1 1 294.345 3.456 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2cnc3ccccc3c2)CC1 ZINC001137282602 803708316 /nfs/dbraw/zinc/70/83/16/803708316.db2.gz DWWVDDGQRYMZJL-CQSZACIVSA-N 1 1 265.360 3.360 20 30 CGEDMO Cc1ccc(Br)c(C[NH+]2CCC(C#N)CC2)c1 ZINC001137380343 803725981 /nfs/dbraw/zinc/72/59/81/803725981.db2.gz IESYJPOAQYHHGV-UHFFFAOYSA-N 1 1 293.208 3.493 20 30 CGEDMO COCC[N@@H+](C)Cc1ccc(C#Cc2ccccc2)cc1 ZINC001138333801 803896953 /nfs/dbraw/zinc/89/69/53/803896953.db2.gz QXNVPOFDHLXMAW-UHFFFAOYSA-N 1 1 279.383 3.165 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2C[C@H](C)CC23CC3)cc1OC ZINC001138346493 803899391 /nfs/dbraw/zinc/89/93/91/803899391.db2.gz FHNMTVZATKUNPD-CQSZACIVSA-N 1 1 285.387 3.082 20 30 CGEDMO C#CCOc1ccc(C[N@@H+](C)CC2CC(F)(F)C2)cc1 ZINC001138557551 803966176 /nfs/dbraw/zinc/96/61/76/803966176.db2.gz LICSZFUHZPTNEA-UHFFFAOYSA-N 1 1 279.330 3.176 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccccc2N2CCCC2)C1 ZINC001138611488 803978094 /nfs/dbraw/zinc/97/80/94/803978094.db2.gz QBWUMRUPDOLTOM-INIZCTEOSA-N 1 1 268.404 3.132 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)c1O ZINC001138626865 803983705 /nfs/dbraw/zinc/98/37/05/803983705.db2.gz RAEVQROAUUVCFJ-RRQGHBQHSA-N 1 1 287.403 3.120 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1C[C@H]2CCCC(=O)[C@@H]2C1 ZINC001138667426 803998555 /nfs/dbraw/zinc/99/85/55/803998555.db2.gz XCKLTLABFMEVHL-NVXWUHKLSA-N 1 1 299.414 3.443 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC001138666541 803998864 /nfs/dbraw/zinc/99/88/64/803998864.db2.gz WXPAPAYCDMQTJU-QGZVFWFLSA-N 1 1 287.403 3.252 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC001138666541 803998874 /nfs/dbraw/zinc/99/88/74/803998874.db2.gz WXPAPAYCDMQTJU-QGZVFWFLSA-N 1 1 287.403 3.252 20 30 CGEDMO CC(C)c1nc(C[NH+]2CCC(S)CC2)cs1 ZINC001138887606 804062891 /nfs/dbraw/zinc/06/28/91/804062891.db2.gz HUMGKVOELDOBRX-UHFFFAOYSA-N 1 1 256.440 3.161 20 30 CGEDMO CCCCCCCCCC[C@@H](O)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246029551 804102204 /nfs/dbraw/zinc/10/22/04/804102204.db2.gz PYQZDAUGTRNRFI-FGTMMUONSA-N 1 1 296.499 3.029 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[N@H+]1CC[NH2+]C[C@H](C)C1 ZINC001246034254 804102787 /nfs/dbraw/zinc/10/27/87/804102787.db2.gz XAVFTLBUCUUKSD-ZWKOTPCHSA-N 1 1 298.515 3.419 20 30 CGEDMO CCCCCCCCCC[C@@H](O)CN1CC[NH2+]C[C@H](C)C1 ZINC001246034254 804102791 /nfs/dbraw/zinc/10/27/91/804102791.db2.gz XAVFTLBUCUUKSD-ZWKOTPCHSA-N 1 1 298.515 3.419 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@@H](C)[C@@](C)(O)CC1 ZINC001139029199 804113023 /nfs/dbraw/zinc/11/30/23/804113023.db2.gz RPEWSWJTDFYRPW-QAPCUYQASA-N 1 1 289.419 3.234 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@H](OC(C)C)C1 ZINC001139030490 804114845 /nfs/dbraw/zinc/11/48/45/804114845.db2.gz OGVLPNSAXDCRJX-INIZCTEOSA-N 1 1 275.392 3.251 20 30 CGEDMO CCn1ccc2ccc(C[N@@H+]3CC[C@](C)(C#N)C3)cc21 ZINC001139120628 804132058 /nfs/dbraw/zinc/13/20/58/804132058.db2.gz XYAAWILVUHMHIT-QGZVFWFLSA-N 1 1 267.376 3.397 20 30 CGEDMO CCn1ccc2ccc(C[N@H+]3CC[C@](C)(C#N)C3)cc21 ZINC001139120628 804132065 /nfs/dbraw/zinc/13/20/65/804132065.db2.gz XYAAWILVUHMHIT-QGZVFWFLSA-N 1 1 267.376 3.397 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cc(F)cc(Br)c2)C1 ZINC001139177778 804150315 /nfs/dbraw/zinc/15/03/15/804150315.db2.gz OYGAPXKAORUFAB-NSHDSACASA-N 1 1 296.183 3.433 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(F)cc(Br)c2)C1 ZINC001139177778 804150319 /nfs/dbraw/zinc/15/03/19/804150319.db2.gz OYGAPXKAORUFAB-NSHDSACASA-N 1 1 296.183 3.433 20 30 CGEDMO C#CC1CC[NH+](Cc2[nH]c(CCCC)nc2Cl)CC1 ZINC001139181930 804151964 /nfs/dbraw/zinc/15/19/64/804151964.db2.gz FIPUMPBYTNJQSY-UHFFFAOYSA-N 1 1 279.815 3.251 20 30 CGEDMO CCCCCCC[C@@H](CC)N[C@H]1C[NH2+]CC12CC2 ZINC001246136711 804160321 /nfs/dbraw/zinc/16/03/21/804160321.db2.gz XRJZBVLTIBGRAX-CABCVRRESA-N 1 1 252.446 3.467 20 30 CGEDMO CCOc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)cc1CC ZINC001139626411 804236089 /nfs/dbraw/zinc/23/60/89/804236089.db2.gz TYIURKFUPUUQJN-KRWDZBQOSA-N 1 1 272.392 3.383 20 30 CGEDMO CCOc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)cc1CC ZINC001139626411 804236094 /nfs/dbraw/zinc/23/60/94/804236094.db2.gz TYIURKFUPUUQJN-KRWDZBQOSA-N 1 1 272.392 3.383 20 30 CGEDMO C#Cc1cccc(CN[C@H]2CC[NH2+]C3(CCCCC3)C2)c1 ZINC001246261025 804242881 /nfs/dbraw/zinc/24/28/81/804242881.db2.gz CLWULJIQYNYTMJ-SFHVURJKSA-N 1 1 282.431 3.212 20 30 CGEDMO CC[N@@H+](Cc1ccccc1O)Cc1cc(C#N)ccc1F ZINC001139649504 804243571 /nfs/dbraw/zinc/24/35/71/804243571.db2.gz LRRUNPASYSLJLK-UHFFFAOYSA-N 1 1 284.334 3.425 20 30 CGEDMO N#Cc1c(Cl)cccc1C[NH+]1CCC2(CCCO2)CC1 ZINC001139691673 804255816 /nfs/dbraw/zinc/25/58/16/804255816.db2.gz DVSPJUVESQBXDQ-UHFFFAOYSA-N 1 1 290.794 3.357 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2c[nH]c3c2cccc3C#N)[C@H](C)C1 ZINC001139707758 804260674 /nfs/dbraw/zinc/26/06/74/804260674.db2.gz RKQLMCFLUIPRBI-IUODEOHRSA-N 1 1 283.375 3.039 20 30 CGEDMO C=CCn1cc(C[N@@H+]2CCCC[C@H]2c2cccnc2)cn1 ZINC001139770606 804277769 /nfs/dbraw/zinc/27/77/69/804277769.db2.gz TVZYFZRSTCZGRD-KRWDZBQOSA-N 1 1 282.391 3.191 20 30 CGEDMO C=CCn1cc(C[N@H+]2CCCC[C@H]2c2cccnc2)cn1 ZINC001139770606 804277775 /nfs/dbraw/zinc/27/77/75/804277775.db2.gz TVZYFZRSTCZGRD-KRWDZBQOSA-N 1 1 282.391 3.191 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(CC)cc2)no1 ZINC001212325397 815005259 /nfs/dbraw/zinc/00/52/59/815005259.db2.gz QLALMCBGXLFFRK-AWEZNQCLSA-N 1 1 269.348 3.102 20 30 CGEDMO O=C1C=C2C[N@@H+](Cc3cncc4ccccc43)CC[C@@H]2S1 ZINC001139894291 804321965 /nfs/dbraw/zinc/32/19/65/804321965.db2.gz POSIBSUYKSFTDX-INIZCTEOSA-N 1 1 296.395 3.009 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3cncc4ccccc43)CC[C@@H]2S1 ZINC001139894291 804321974 /nfs/dbraw/zinc/32/19/74/804321974.db2.gz POSIBSUYKSFTDX-INIZCTEOSA-N 1 1 296.395 3.009 20 30 CGEDMO CCCCCCCC[N@@H+](C)Cc1ccnc(NC)n1 ZINC001140042902 804358993 /nfs/dbraw/zinc/35/89/93/804358993.db2.gz JZJSWGLSLNYNKW-UHFFFAOYSA-N 1 1 264.417 3.311 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cc(C(F)(F)F)ccn1 ZINC001140107838 804377851 /nfs/dbraw/zinc/37/78/51/804377851.db2.gz IYESJFBFLTWVFB-UHFFFAOYSA-N 1 1 256.271 3.274 20 30 CGEDMO N#Cc1ccc2[nH]cc(C[N@H+]3CCC[C@@]4(CCOC4)C3)c2c1 ZINC001140110527 804378981 /nfs/dbraw/zinc/37/89/81/804378981.db2.gz MRHZQCCRKSDZAX-GOSISDBHSA-N 1 1 295.386 3.042 20 30 CGEDMO C[N@@H+](Cc1c[nH]c2ccc(C#N)cc12)Cc1cccc(O)c1 ZINC001140111042 804380656 /nfs/dbraw/zinc/38/06/56/804380656.db2.gz XNDLXOLLKQLCIH-UHFFFAOYSA-N 1 1 291.354 3.377 20 30 CGEDMO C[N@@H+](CCc1ccccn1)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140112993 804381243 /nfs/dbraw/zinc/38/12/43/804381243.db2.gz ZJUHBDWQFUCDFH-UHFFFAOYSA-N 1 1 290.370 3.109 20 30 CGEDMO CCCCCCCC[C@H](CCC)[N@H+]1CCNC[C@H](O)C1 ZINC001246602764 804440544 /nfs/dbraw/zinc/44/05/44/804440544.db2.gz PLKYFEZULPOXJW-IRXDYDNUSA-N 1 1 284.488 3.172 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2cccs2)cn1 ZINC001140543124 804458698 /nfs/dbraw/zinc/45/86/98/804458698.db2.gz KUAUWQZJYNXCOY-AWEZNQCLSA-N 1 1 269.373 3.352 20 30 CGEDMO CC[N@@H+](Cc1ccc(C)cc1)Cc1ccc(C#N)nc1 ZINC001140546356 804458631 /nfs/dbraw/zinc/45/86/31/804458631.db2.gz FUAZTNROBATILF-UHFFFAOYSA-N 1 1 265.360 3.284 20 30 CGEDMO N#Cc1cc(Br)cc(Nc2ccc[nH+]c2N)c1 ZINC001212401768 815019493 /nfs/dbraw/zinc/01/94/93/815019493.db2.gz HCAOYVHURPLTBO-UHFFFAOYSA-N 1 1 289.136 3.042 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2Cl)[C@@H](C)C1 ZINC001140603711 804473960 /nfs/dbraw/zinc/47/39/60/804473960.db2.gz ZSMFGUBMBSTTBI-SMDDNHRTSA-N 1 1 278.783 3.211 20 30 CGEDMO N#CCC1(N[C@@H]2CCC[N@H+](C3CCCC3)C2)CCCC1 ZINC001256911841 807009298 /nfs/dbraw/zinc/00/92/98/807009298.db2.gz VVJCAMGVELAHFC-OAHLLOKOSA-N 1 1 275.440 3.209 20 30 CGEDMO N#CCC1([NH2+][C@@H]2CCCN(C3CCCC3)C2)CCCC1 ZINC001256911841 807009306 /nfs/dbraw/zinc/00/93/06/807009306.db2.gz VVJCAMGVELAHFC-OAHLLOKOSA-N 1 1 275.440 3.209 20 30 CGEDMO C[C@]1(CO)CCC[N@@H+](Cc2cccc(C#N)c2Cl)CC1 ZINC001140808510 804525816 /nfs/dbraw/zinc/52/58/16/804525816.db2.gz UGYDCHFUSFHRHD-INIZCTEOSA-N 1 1 292.810 3.196 20 30 CGEDMO C[C@@H]1CC[C@@H](N)C[N@H+]1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246819040 804533579 /nfs/dbraw/zinc/53/35/79/804533579.db2.gz FBTMTLPLPPAHIR-ZIPRAHGXSA-N 1 1 297.446 3.396 20 30 CGEDMO C[C@@H]1CC[C@@H]([NH3+])CN1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246819040 804533583 /nfs/dbraw/zinc/53/35/83/804533583.db2.gz FBTMTLPLPPAHIR-ZIPRAHGXSA-N 1 1 297.446 3.396 20 30 CGEDMO N#CCC1CC[NH+](Cc2cnccc2C(F)(F)F)CC1 ZINC001140919612 804549288 /nfs/dbraw/zinc/54/92/88/804549288.db2.gz YSJGXYPCDZHNSQ-UHFFFAOYSA-N 1 1 283.297 3.226 20 30 CGEDMO COc1ccc(-c2cccc(C[NH+]3CC(CC#N)C3)n2)cc1 ZINC001140953436 804558209 /nfs/dbraw/zinc/55/82/09/804558209.db2.gz AINPIVQBTHJEJM-UHFFFAOYSA-N 1 1 293.370 3.103 20 30 CGEDMO Cc1cc(OC(F)(F)F)ccc1C[NH+]1CC(CC#N)C1 ZINC001140962548 804560129 /nfs/dbraw/zinc/56/01/29/804560129.db2.gz FTWAQIMELMPLFD-UHFFFAOYSA-N 1 1 284.281 3.239 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1c[nH]nc1C(F)(F)F ZINC001141016888 804571009 /nfs/dbraw/zinc/57/10/09/804571009.db2.gz RDSFTQAGIOHJIU-UHFFFAOYSA-N 1 1 261.291 3.217 20 30 CGEDMO N#Cc1c(N)sc(C[N@H+]2CCC[C@@H](CF)C2)c1Cl ZINC001141111964 804592449 /nfs/dbraw/zinc/59/24/49/804592449.db2.gz KEMRRDHIRMCWEZ-QMMMGPOBSA-N 1 1 287.791 3.037 20 30 CGEDMO CCCCCCCCNC(=S)N1CC[NH+](C2CC2)CC1 ZINC001247127932 804667315 /nfs/dbraw/zinc/66/73/15/804667315.db2.gz LEOXAFWQYBSQTC-UHFFFAOYSA-N 1 1 297.512 3.001 20 30 CGEDMO C#CC[C@@H]([NH3+])c1nc(-c2cc(C)ccc2C(F)(F)F)no1 ZINC001247609955 804779869 /nfs/dbraw/zinc/77/98/69/804779869.db2.gz RFAZNOOZAAVDHZ-LLVKDONJSA-N 1 1 295.264 3.087 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH3+])c1nc(-c2ccc(Cl)c(Cl)c2)no1 ZINC001247621601 804781340 /nfs/dbraw/zinc/78/13/40/804781340.db2.gz RAOMVPQDTSBQBZ-AMIZOPFISA-N 1 1 296.157 3.403 20 30 CGEDMO N#Cc1ccc2c(C[N@H+]3CC[C@@H]4CCCO[C@H]4C3)c[nH]c2c1 ZINC001142915406 804782933 /nfs/dbraw/zinc/78/29/33/804782933.db2.gz ACWGUFBBFYCZFD-KSSFIOAISA-N 1 1 295.386 3.040 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2cccc3ccoc32)no1 ZINC001247622171 804783378 /nfs/dbraw/zinc/78/33/78/804783378.db2.gz HQUOJIWGPJNVJI-LBPRGKRZSA-N 1 1 269.304 3.449 20 30 CGEDMO N#Cc1ccc2c(C[N@@H+]3CCC[C@@H](CF)C3)c[nH]c2c1 ZINC001142921080 804783468 /nfs/dbraw/zinc/78/34/68/804783468.db2.gz GAAAEEKWKIFRES-ZDUSSCGKSA-N 1 1 271.339 3.221 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2ccccc2-c2cnco2)no1 ZINC001247622576 804783613 /nfs/dbraw/zinc/78/36/13/804783613.db2.gz NXYALTQQWBMXGY-CYBMUJFWSA-N 1 1 296.330 3.358 20 30 CGEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2cc(F)ccn2)no1 ZINC001247639174 804791076 /nfs/dbraw/zinc/79/10/76/804791076.db2.gz GDIORAPBXUEUBR-LBPRGKRZSA-N 1 1 290.342 3.407 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CCC[C@H]3C2)c1F ZINC001143167224 804814288 /nfs/dbraw/zinc/81/42/88/804814288.db2.gz RMNSJVKSSAXGJZ-AAEUAGOBSA-N 1 1 276.330 3.458 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)c1F ZINC001143167224 804814296 /nfs/dbraw/zinc/81/42/96/804814296.db2.gz RMNSJVKSSAXGJZ-AAEUAGOBSA-N 1 1 276.330 3.458 20 30 CGEDMO C[N@@H+](Cc1c(F)ccc(C#N)c1F)C[C@@H]1CC1(C)C ZINC001143174513 804816283 /nfs/dbraw/zinc/81/62/83/804816283.db2.gz RXADCBAWFSIVHT-NSHDSACASA-N 1 1 264.319 3.314 20 30 CGEDMO C[N@H+](Cc1c(F)ccc(C#N)c1F)C[C@@H]1CC1(C)C ZINC001143174513 804816288 /nfs/dbraw/zinc/81/62/88/804816288.db2.gz RXADCBAWFSIVHT-NSHDSACASA-N 1 1 264.319 3.314 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3ccc(C(F)F)cc3)CC[C@@H]2S1 ZINC001143245736 804827309 /nfs/dbraw/zinc/82/73/09/804827309.db2.gz QBPJDAJBBVUNJK-ZDUSSCGKSA-N 1 1 295.354 3.398 20 30 CGEDMO O=C1C=C2C[N@@H+](Cc3ccc(C(F)F)cc3)CC[C@@H]2S1 ZINC001143245736 804827317 /nfs/dbraw/zinc/82/73/17/804827317.db2.gz QBPJDAJBBVUNJK-ZDUSSCGKSA-N 1 1 295.354 3.398 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2ccc(Cl)c(OC)c2F)no1 ZINC001247968546 804858941 /nfs/dbraw/zinc/85/89/41/804858941.db2.gz XXCPPTXHTZBJPB-VIFPVBQESA-N 1 1 297.717 3.114 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2cc(F)c(Cl)cc2F)no1 ZINC001247968129 804858995 /nfs/dbraw/zinc/85/89/95/804858995.db2.gz SWQHEKWNWNXVBS-JTQLQIEISA-N 1 1 285.681 3.244 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2cc(F)ccc2Cl)no1 ZINC001247968158 804859564 /nfs/dbraw/zinc/85/95/64/804859564.db2.gz UJGOWQNFKQKXKB-JTQLQIEISA-N 1 1 267.691 3.105 20 30 CGEDMO N#Cc1cccc(Cl)c1C[N@@H+]1CCC2(C1)CCOCC2 ZINC001143726384 804889973 /nfs/dbraw/zinc/88/99/73/804889973.db2.gz OKQCXEXYUMEASI-UHFFFAOYSA-N 1 1 290.794 3.214 20 30 CGEDMO N#Cc1cccc(Cl)c1C[N@H+]1CCC2(C1)CCOCC2 ZINC001143726384 804889979 /nfs/dbraw/zinc/88/99/79/804889979.db2.gz OKQCXEXYUMEASI-UHFFFAOYSA-N 1 1 290.794 3.214 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cc(F)c(OC)c(Cl)c2)C1 ZINC001143847818 804900971 /nfs/dbraw/zinc/90/09/71/804900971.db2.gz AXHKQFNXRKDYCH-NSHDSACASA-N 1 1 281.758 3.333 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(F)c(OC)c(Cl)c2)C1 ZINC001143847818 804900974 /nfs/dbraw/zinc/90/09/74/804900974.db2.gz AXHKQFNXRKDYCH-NSHDSACASA-N 1 1 281.758 3.333 20 30 CGEDMO N#Cc1ccc(C2CCC([N@H+]3CCO[C@H]4C[C@H]43)CC2)cc1 ZINC001257022957 807029480 /nfs/dbraw/zinc/02/94/80/807029480.db2.gz SAXFRBAQMPHAJV-HIEASXQVSA-N 1 1 282.387 3.058 20 30 CGEDMO COc1ccccc1[C@H](C)[N@H+](C)Cc1cncc(C#N)c1 ZINC001144083536 804934922 /nfs/dbraw/zinc/93/49/22/804934922.db2.gz JKLUZUJJMJLRLK-ZDUSSCGKSA-N 1 1 281.359 3.155 20 30 CGEDMO COc1ccccc1[C@H](C)[N@@H+](C)Cc1cncc(C#N)c1 ZINC001144083536 804934927 /nfs/dbraw/zinc/93/49/27/804934927.db2.gz JKLUZUJJMJLRLK-ZDUSSCGKSA-N 1 1 281.359 3.155 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccccc2F)nc1 ZINC001144162904 804947068 /nfs/dbraw/zinc/94/70/68/804947068.db2.gz CHAQSTFGBBVXTR-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccccc2F)nc1 ZINC001144162904 804947070 /nfs/dbraw/zinc/94/70/70/804947070.db2.gz CHAQSTFGBBVXTR-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCC[C@](C)(F)C1 ZINC001248748475 804982147 /nfs/dbraw/zinc/98/21/47/804982147.db2.gz KWUFBSVNSQVMQG-INIZCTEOSA-N 1 1 260.356 3.445 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1c1ncccn1 ZINC001248752840 804984648 /nfs/dbraw/zinc/98/46/48/804984648.db2.gz DFUZMWGYPNFMCS-KRWDZBQOSA-N 1 1 292.386 3.248 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1c1ncccn1 ZINC001248752840 804984653 /nfs/dbraw/zinc/98/46/53/804984653.db2.gz DFUZMWGYPNFMCS-KRWDZBQOSA-N 1 1 292.386 3.248 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCCC[C@H]2CCOC)cc1 ZINC001144573401 805007734 /nfs/dbraw/zinc/00/77/34/805007734.db2.gz IOGXAFUZQSLWAP-KRWDZBQOSA-N 1 1 257.377 3.059 20 30 CGEDMO C=CC[N@H+](Cc1ccc2c(c1)nnn2C)C1CCCCC1 ZINC001144642027 805019078 /nfs/dbraw/zinc/01/90/78/805019078.db2.gz KWKQBLRUTFDGEX-UHFFFAOYSA-N 1 1 284.407 3.289 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2cnn3ccc(C#N)cc23)C[C@@H]1C ZINC001249082531 805085336 /nfs/dbraw/zinc/08/53/36/805085336.db2.gz XBCHPSPMHGQXDV-KGLIPLIRSA-N 1 1 282.391 3.074 20 30 CGEDMO CC[N@@H+](Cc1cccs1)Cc1cnn2ccc(C#N)cc12 ZINC001249119442 805093131 /nfs/dbraw/zinc/09/31/31/805093131.db2.gz XOLOWTGLWWHZSK-UHFFFAOYSA-N 1 1 296.399 3.290 20 30 CGEDMO Cc1cc(-c2noc([C@@H]3CC[N@@H+]3C(C)(C)C)n2)ccc1C#N ZINC001249235258 805119142 /nfs/dbraw/zinc/11/91/42/805119142.db2.gz NXCOPOQWDVFXEH-AWEZNQCLSA-N 1 1 296.374 3.462 20 30 CGEDMO Cc1cc(-c2noc([C@@H]3CC[N@H+]3C(C)(C)C)n2)ccc1C#N ZINC001249235258 805119146 /nfs/dbraw/zinc/11/91/46/805119146.db2.gz NXCOPOQWDVFXEH-AWEZNQCLSA-N 1 1 296.374 3.462 20 30 CGEDMO C=CC[N@@H+](Cc1cn(C(C)(C)C)nn1)C1CCCCC1 ZINC001249484485 805158844 /nfs/dbraw/zinc/15/88/44/805158844.db2.gz ZIJQUSRQFVTVRU-UHFFFAOYSA-N 1 1 276.428 3.354 20 30 CGEDMO C=CC[N@H+](Cc1cn(C(C)(C)C)nn1)C1CCCCC1 ZINC001249484485 805158846 /nfs/dbraw/zinc/15/88/46/805158846.db2.gz ZIJQUSRQFVTVRU-UHFFFAOYSA-N 1 1 276.428 3.354 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@@H+](CCC(=C)C)C2 ZINC001148124641 805164385 /nfs/dbraw/zinc/16/43/85/805164385.db2.gz FODRRNDXNSMOEU-INIZCTEOSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C)CCC(C)(C)C)C2)C1 ZINC001148620623 805200493 /nfs/dbraw/zinc/20/04/93/805200493.db2.gz UMTVSMDCCZIDJB-HNNXBMFYSA-N 1 1 292.467 3.169 20 30 CGEDMO CCCCCCCNC(=S)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC001249646321 805200561 /nfs/dbraw/zinc/20/05/61/805200561.db2.gz XXDPSYUEDCRMLX-HNNXBMFYSA-N 1 1 299.528 3.153 20 30 CGEDMO C=CC[N@@H+]1CCC2(CN(C(=O)CCCCCCCC)C2)C1 ZINC001148666265 805203727 /nfs/dbraw/zinc/20/37/27/805203727.db2.gz NPNJQSQEVGTHBF-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO COc1ccc(CC[N@@H+](C)Cc2cccc(C#N)c2F)cc1 ZINC001249687439 805212018 /nfs/dbraw/zinc/21/20/18/805212018.db2.gz DLVXAYINWHNKIJ-UHFFFAOYSA-N 1 1 298.361 3.380 20 30 CGEDMO C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)C(C)(F)F ZINC001151548283 805296898 /nfs/dbraw/zinc/29/68/98/805296898.db2.gz CVNVFLMZARWMMI-CYBMUJFWSA-N 1 1 290.398 3.215 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)/C(C)=C/CC ZINC001152187711 805338820 /nfs/dbraw/zinc/33/88/20/805338820.db2.gz BSWVRLNZABROSC-AAWPKVBNSA-N 1 1 266.429 3.136 20 30 CGEDMO C=CCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccccc1F ZINC001152353118 805345550 /nfs/dbraw/zinc/34/55/50/805345550.db2.gz RXDKSFCUIAORQZ-CQSZACIVSA-N 1 1 292.398 3.119 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001152604747 805355995 /nfs/dbraw/zinc/35/59/95/805355995.db2.gz RSKYJVPSNSNZGG-NCOADZHNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)c1sccc1F ZINC001153164182 805385010 /nfs/dbraw/zinc/38/50/10/805385010.db2.gz GBXIITKETJKTIL-GFCCVEGCSA-N 1 1 298.427 3.294 20 30 CGEDMO CCC(CC)C[N@@H+](CC)[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001153266272 805389896 /nfs/dbraw/zinc/38/98/96/805389896.db2.gz OEVYKUNJLYYGTL-OAHLLOKOSA-N 1 1 294.483 3.299 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C(C)=C1CCC1 ZINC001153252934 805390119 /nfs/dbraw/zinc/39/01/19/805390119.db2.gz NQUSXUIRAZVKTC-GFCCVEGCSA-N 1 1 284.831 3.066 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C(C)=C1CCC1 ZINC001153252934 805390123 /nfs/dbraw/zinc/39/01/23/805390123.db2.gz NQUSXUIRAZVKTC-GFCCVEGCSA-N 1 1 284.831 3.066 20 30 CGEDMO CC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001153260684 805390766 /nfs/dbraw/zinc/39/07/66/805390766.db2.gz ZHVFDUTZQJUJOJ-ZBTGYSDGSA-N 1 1 292.467 3.219 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(CC)s1 ZINC001154208089 805439575 /nfs/dbraw/zinc/43/95/75/805439575.db2.gz JJSHMSQCRHCODX-CYBMUJFWSA-N 1 1 294.464 3.327 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1c(C)cc(F)cc1C ZINC001154569259 805463405 /nfs/dbraw/zinc/46/34/05/805463405.db2.gz IDBUKJTYBMZKSI-CQSZACIVSA-N 1 1 292.398 3.069 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccccc1 ZINC001154605362 805466001 /nfs/dbraw/zinc/46/60/01/805466001.db2.gz GVEYQMZTCBYEQP-OAHLLOKOSA-N 1 1 288.435 3.225 20 30 CGEDMO C#CCCCCCC(=O)NC[C@@H](C)[N@@H+](CC)CC(C)C ZINC001154609600 805467604 /nfs/dbraw/zinc/46/76/04/805467604.db2.gz OYEWGPVBCPKYQT-MRXNPFEDSA-N 1 1 280.456 3.053 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)CC1CC(C)(C)C1 ZINC001154806147 805489937 /nfs/dbraw/zinc/48/99/37/805489937.db2.gz IDDJMRYFFQTFIS-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1occc1C(C)C ZINC001154844450 805498324 /nfs/dbraw/zinc/49/83/24/805498324.db2.gz HWVLUCCQGGXFOR-CQSZACIVSA-N 1 1 292.423 3.419 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H](C)[N@@H+](CC)CCC(C)C ZINC001155041065 805529153 /nfs/dbraw/zinc/52/91/53/805529153.db2.gz NQVHIURATZBGSG-NVXWUHKLSA-N 1 1 282.472 3.461 20 30 CGEDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)C1CCC(C#N)CC1 ZINC001256970717 807020129 /nfs/dbraw/zinc/02/01/29/807020129.db2.gz BRNNXHMHIGBFHF-UHFFFAOYSA-N 1 1 286.375 3.320 20 30 CGEDMO C=CCCCC[N@H+](C)C1CCC(CC(=O)OC)CC1 ZINC001256989066 807023897 /nfs/dbraw/zinc/02/38/97/807023897.db2.gz TXUJJAKOXSKSSL-UHFFFAOYSA-N 1 1 267.413 3.396 20 30 CGEDMO Cc1ccc(CN(C)c2[nH+]c(C)ccc2CC#N)cc1 ZINC001166538650 807052639 /nfs/dbraw/zinc/05/26/39/807052639.db2.gz GHRCRVSBBXTGIX-UHFFFAOYSA-N 1 1 265.360 3.401 20 30 CGEDMO COc1ccc2c[nH+]c(N3CCC[C@H](CC#N)C3)cc2c1 ZINC001166742128 807090264 /nfs/dbraw/zinc/09/02/64/807090264.db2.gz BIQMAUILYWBEEG-CYBMUJFWSA-N 1 1 281.359 3.373 20 30 CGEDMO Cc1ccc(CC#N)c(N2CCC[C@@H]2c2nccs2)[nH+]1 ZINC001167042117 807134459 /nfs/dbraw/zinc/13/44/59/807134459.db2.gz JOEWASBSEDWOHL-CYBMUJFWSA-N 1 1 284.388 3.254 20 30 CGEDMO C=CCN1CC[C@@]2(CCC[N@H+]([C@H](CC)CCCC)C2)C1=O ZINC001257421174 807146902 /nfs/dbraw/zinc/14/69/02/807146902.db2.gz UFRCGGHOBMWWCN-SJLPKXTDSA-N 1 1 292.467 3.456 20 30 CGEDMO N#Cc1cccc([C@@H](O)C[N@H+]2CCC[C@@]3(CC=CCC3)C2)c1 ZINC001167382294 807188814 /nfs/dbraw/zinc/18/88/14/807188814.db2.gz XLTCUEUBWRSTJV-OALUTQOASA-N 1 1 296.414 3.414 20 30 CGEDMO COC(=O)c1cc(C[N@H+](CCC#N)CC(C)C)ccc1C ZINC001167458132 807194501 /nfs/dbraw/zinc/19/45/01/807194501.db2.gz QBCCKPQJSWFOFA-UHFFFAOYSA-N 1 1 288.391 3.153 20 30 CGEDMO COC(=O)c1cc(C[N@@H+](CCC#N)CC(C)C)ccc1C ZINC001167458132 807194505 /nfs/dbraw/zinc/19/45/05/807194505.db2.gz QBCCKPQJSWFOFA-UHFFFAOYSA-N 1 1 288.391 3.153 20 30 CGEDMO C[C@H]1CC([N@@H+](C)CCC#N)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001257584511 807200792 /nfs/dbraw/zinc/20/07/92/807200792.db2.gz WJFRVTKCHDMTSH-STQMWFEESA-N 1 1 295.427 3.008 20 30 CGEDMO CCC#C[C@@H](C)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001167518722 807202615 /nfs/dbraw/zinc/20/26/15/807202615.db2.gz ZJNFEHDEPYARSF-QZTJIDSGSA-N 1 1 284.447 3.385 20 30 CGEDMO CCC#C[C@@H](C)[N@@H+]1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC001167518722 807202618 /nfs/dbraw/zinc/20/26/18/807202618.db2.gz ZJNFEHDEPYARSF-QZTJIDSGSA-N 1 1 284.447 3.385 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC001167518722 807202624 /nfs/dbraw/zinc/20/26/24/807202624.db2.gz ZJNFEHDEPYARSF-QZTJIDSGSA-N 1 1 284.447 3.385 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CC[C@@](C)(O)[C@@H](C)C3)C[C@H](C1)C2 ZINC001257891071 807241085 /nfs/dbraw/zinc/24/10/85/807241085.db2.gz CWLPHSINWGSXLL-PQAIKRCPSA-N 1 1 263.425 3.214 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3C[C@H](C)N(C)C[C@H]3C)C[C@H](C1)C2 ZINC001257892169 807242313 /nfs/dbraw/zinc/24/23/13/807242313.db2.gz UZKOTTSJGOLYQP-HCMIALLCSA-N 1 1 262.441 3.146 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+](CC)[C@@H](C)C(=O)OC)C[C@H](C1)C2 ZINC001257893868 807243869 /nfs/dbraw/zinc/24/38/69/807243869.db2.gz BJBBMNXUTWVABO-RDGKXADDSA-N 1 1 265.397 3.005 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+](C)CCN3CCCC3)C[C@H](C1)C2 ZINC001257895167 807245394 /nfs/dbraw/zinc/24/53/94/807245394.db2.gz KAYCKGLNLNUCNK-SJPCQFCGSA-N 1 1 262.441 3.149 20 30 CGEDMO C=CCOCc1cccc(NCc2ccc(N)[nH+]c2C)c1 ZINC001167786700 807251541 /nfs/dbraw/zinc/25/15/41/807251541.db2.gz JRXWMUAFDMMGTM-UHFFFAOYSA-N 1 1 283.375 3.287 20 30 CGEDMO CCCCCCC[C@H](C)N(C(N)=[NH2+])c1cc(C)n[nH]1 ZINC001258043936 807273476 /nfs/dbraw/zinc/27/34/76/807273476.db2.gz VJAKBJGNGVVIOJ-LBPRGKRZSA-N 1 1 265.405 3.167 20 30 CGEDMO CCCCCCC[C@H](C)[N@@H+]1CCc2nccn2CC1 ZINC001258050953 807276536 /nfs/dbraw/zinc/27/65/36/807276536.db2.gz ZYKDPINNLWBECL-HNNXBMFYSA-N 1 1 263.429 3.490 20 30 CGEDMO CC1(C#N)CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167994767 807294602 /nfs/dbraw/zinc/29/46/02/807294602.db2.gz NXAPHUKVWXRGHB-SJPCQFCGSA-N 1 1 287.451 3.017 20 30 CGEDMO CC1(C#N)CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167994767 807294604 /nfs/dbraw/zinc/29/46/04/807294604.db2.gz NXAPHUKVWXRGHB-SJPCQFCGSA-N 1 1 287.451 3.017 20 30 CGEDMO C#CCCC[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168007984 807298654 /nfs/dbraw/zinc/29/86/54/807298654.db2.gz VXRGYCXLUTVGFV-IZZQQSIFSA-N 1 1 284.447 3.431 20 30 CGEDMO CCCCCCCC[N@@H+](CCN)[C@H]1CCO[C@H](C)C1 ZINC001168087475 807307964 /nfs/dbraw/zinc/30/79/64/807307964.db2.gz LWKOREOLXYTOFK-CVEARBPZSA-N 1 1 270.461 3.175 20 30 CGEDMO CCCCCCCCN(CC[NH3+])[C@H]1CCO[C@H](C)C1 ZINC001168087475 807307971 /nfs/dbraw/zinc/30/79/71/807307971.db2.gz LWKOREOLXYTOFK-CVEARBPZSA-N 1 1 270.461 3.175 20 30 CGEDMO C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@H]1CCO[C@H](C)C1 ZINC001168130562 807316891 /nfs/dbraw/zinc/31/68/91/807316891.db2.gz HBSUQUSGNNSTHM-UWWQBHOKSA-N 1 1 269.388 3.177 20 30 CGEDMO CCCCCCCCC[C@H](C)[NH2+]CCN1CCN(C)CC1 ZINC001258230589 807378239 /nfs/dbraw/zinc/37/82/39/807378239.db2.gz YKWBKSOXZPCJIF-SFHVURJKSA-N 1 1 297.531 3.353 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](C[C@@H]2CCCC23CCOCC3)C1 ZINC001168384508 807399819 /nfs/dbraw/zinc/39/98/19/807399819.db2.gz ZPLMNRXMSSRLBQ-HOTGVXAUSA-N 1 1 276.424 3.209 20 30 CGEDMO COc1ccc(CC[C@H](C)[N@H+]2CCC[C@@H](C#N)C2)cc1 ZINC001258408711 807443585 /nfs/dbraw/zinc/44/35/85/807443585.db2.gz LSHBMCWXCAXVBE-HOCLYGCPSA-N 1 1 272.392 3.252 20 30 CGEDMO CC(C)[C@@H]1CCCCC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC001168581622 807450963 /nfs/dbraw/zinc/45/09/63/807450963.db2.gz WJBPKFLEAGZWBD-HOTGVXAUSA-N 1 1 278.440 3.332 20 30 CGEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+]([C@H](C)CC1CC1)C2 ZINC001258461405 807463881 /nfs/dbraw/zinc/46/38/81/807463881.db2.gz PAUJJKCGATZTOI-KBAYOESNSA-N 1 1 293.451 3.249 20 30 CGEDMO CC1(C)CC[C@@H]([N@H+](CCC#N)Cc2cccnc2)C1 ZINC001258603220 807501136 /nfs/dbraw/zinc/50/11/36/807501136.db2.gz VFVRVAOWNGWKBZ-OAHLLOKOSA-N 1 1 257.381 3.376 20 30 CGEDMO CC1(C)CC[C@@H]([N@@H+](CCC#N)Cc2cccnc2)C1 ZINC001258603220 807501139 /nfs/dbraw/zinc/50/11/39/807501139.db2.gz VFVRVAOWNGWKBZ-OAHLLOKOSA-N 1 1 257.381 3.376 20 30 CGEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H]1CCC(C)(C)C1)C2 ZINC001258606328 807504253 /nfs/dbraw/zinc/50/42/53/807504253.db2.gz VPQKFDONPFLPEJ-SOLBZPMBSA-N 1 1 293.451 3.391 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169028945 807555951 /nfs/dbraw/zinc/55/59/51/807555951.db2.gz SXSABENUQQDKFG-KGLIPLIRSA-N 1 1 256.390 3.334 20 30 CGEDMO C=CC[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCCCC1 ZINC001169047112 807558550 /nfs/dbraw/zinc/55/85/50/807558550.db2.gz QSDAMCMPADCLGU-ZFWWWQNUSA-N 1 1 266.385 3.253 20 30 CGEDMO CCCCCCC[C@@H](CC(C)C)[N@H+]1CCO[C@@H](CO)C1 ZINC001258714014 807565227 /nfs/dbraw/zinc/56/52/27/807565227.db2.gz GBVZQSPUJCDYNS-DLBZAZTESA-N 1 1 285.472 3.455 20 30 CGEDMO C=CCC[C@@H](C)n1cc(C(=O)C[NH3+])c2ccccc21 ZINC001258718801 807567779 /nfs/dbraw/zinc/56/77/79/807567779.db2.gz VSEHHQFQSIFQBP-GFCCVEGCSA-N 1 1 256.349 3.310 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@](O)(C(F)(F)F)[C@H](C)C1 ZINC001258724795 807573386 /nfs/dbraw/zinc/57/33/86/807573386.db2.gz FBGAKRBPMDRCEH-AGIUHOORSA-N 1 1 279.346 3.366 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1Cc2cn(CC)nc2[C@@H](COCC)C1 ZINC001258728362 807574679 /nfs/dbraw/zinc/57/46/79/807574679.db2.gz NYRWBFISAQSLIV-GOEBONIOSA-N 1 1 291.439 3.193 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC001258726780 807575148 /nfs/dbraw/zinc/57/51/48/807575148.db2.gz WTGQXLWGJBEANP-ILXRZTDVSA-N 1 1 294.439 3.425 20 30 CGEDMO C=CCC[C@H](C)[N@H+](CC(=O)OC)Cc1ccccc1 ZINC001258732992 807578873 /nfs/dbraw/zinc/57/88/73/807578873.db2.gz SRFIOTMNAQBUNB-AWEZNQCLSA-N 1 1 261.365 3.016 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CC(=O)OC)Cc1ccccc1 ZINC001258732992 807578878 /nfs/dbraw/zinc/57/88/78/807578878.db2.gz SRFIOTMNAQBUNB-AWEZNQCLSA-N 1 1 261.365 3.016 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H](Oc2ncccc2OC)C1 ZINC001258733703 807579608 /nfs/dbraw/zinc/57/96/08/807579608.db2.gz LZSSLULMCNKXSB-CABCVRRESA-N 1 1 290.407 3.288 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001258734596 807580255 /nfs/dbraw/zinc/58/02/55/807580255.db2.gz FYXJPJOFGTUWKL-ZIAGYGMSSA-N 1 1 282.428 3.188 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](Oc2cccc(C)n2)C1 ZINC001258736191 807582018 /nfs/dbraw/zinc/58/20/18/807582018.db2.gz NZLXKXWCQOVIAW-HUUCEWRRSA-N 1 1 260.381 3.198 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCOC[C@H]1CCC(=O)OC(C)(C)C ZINC001258736312 807582058 /nfs/dbraw/zinc/58/20/58/807582058.db2.gz QSKSLAWZOMDRMU-LSDHHAIUSA-N 1 1 297.439 3.164 20 30 CGEDMO C=CC[N@@H+](C1CCCCC1)[C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169155041 807596682 /nfs/dbraw/zinc/59/66/82/807596682.db2.gz WKLJIAONPQTBFQ-FVQHAEBGSA-N 1 1 262.441 3.432 20 30 CGEDMO CCN1CCC([NH+]2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001169245150 807612127 /nfs/dbraw/zinc/61/21/27/807612127.db2.gz AJFTUOMLPMLARC-UHFFFAOYSA-N 1 1 297.446 3.028 20 30 CGEDMO C=CC[C@@H](Nc1ccc2c(C)cc[nH+]c2c1)C(=O)OC ZINC001169841901 807714553 /nfs/dbraw/zinc/71/45/53/807714553.db2.gz PMXHTNMASMYAAA-CQSZACIVSA-N 1 1 270.332 3.073 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2nc3c(s2)C[C@H](C)CC3)C1 ZINC001261560593 807757724 /nfs/dbraw/zinc/75/77/24/807757724.db2.gz VLLMCGQVILUWSS-CHWSQXEVSA-N 1 1 274.433 3.113 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2nc3c(s2)C[C@H](C)CC3)C1 ZINC001261560593 807757727 /nfs/dbraw/zinc/75/77/27/807757727.db2.gz VLLMCGQVILUWSS-CHWSQXEVSA-N 1 1 274.433 3.113 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC001261799164 807788675 /nfs/dbraw/zinc/78/86/75/807788675.db2.gz FDPQYGYLESJPFG-GFCCVEGCSA-N 1 1 263.768 3.281 20 30 CGEDMO Cc1cc(NCc2ccc(C#N)s2)c2[nH+]ccn2c1 ZINC001170203430 807795369 /nfs/dbraw/zinc/79/53/69/807795369.db2.gz WBODYWXCZSRTNH-UHFFFAOYSA-N 1 1 268.345 3.188 20 30 CGEDMO C=CC[NH+]1CCN([C@@H](C)Cc2ccccc2Cl)CC1 ZINC001170286384 807813594 /nfs/dbraw/zinc/81/35/94/807813594.db2.gz YCFNCOOTKRZRCX-AWEZNQCLSA-N 1 1 278.827 3.075 20 30 CGEDMO Cc1cc(NCC#Cc2ccccc2)c2[nH+]ccn2c1 ZINC001170427492 807839705 /nfs/dbraw/zinc/83/97/05/807839705.db2.gz UFWLYAZTNWLMAN-UHFFFAOYSA-N 1 1 261.328 3.106 20 30 CGEDMO C[N@@H+](CCCC(F)(F)F)Cc1cc(C#N)cs1 ZINC001262367734 807858639 /nfs/dbraw/zinc/85/86/39/807858639.db2.gz FACLMNDLNDGQBN-UHFFFAOYSA-N 1 1 262.300 3.394 20 30 CGEDMO C[N@@H+]1CCc2c(C#N)c(N=C3CCC(C#N)CC3)sc2C1 ZINC001212854412 815159153 /nfs/dbraw/zinc/15/91/53/815159153.db2.gz GCJCFDCIBHCMPM-LLVKDONJSA-N 1 1 298.415 3.227 20 30 CGEDMO C[N@H+]1CCc2c(C#N)c(N=C3CCC(C#N)CC3)sc2C1 ZINC001212854412 815159157 /nfs/dbraw/zinc/15/91/57/815159157.db2.gz GCJCFDCIBHCMPM-LLVKDONJSA-N 1 1 298.415 3.227 20 30 CGEDMO Cc1cc(NC(=[NH2+])c2ccc3ccccc3n2)ccc1N ZINC001171047708 807971100 /nfs/dbraw/zinc/97/11/00/807971100.db2.gz DNOJOATUUKHCJG-UHFFFAOYSA-N 1 1 276.343 3.162 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@](C)(F)CCCC ZINC001263801724 808006612 /nfs/dbraw/zinc/00/66/12/808006612.db2.gz BSGLRHAJBSEARU-NVXWUHKLSA-N 1 1 298.446 3.404 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@H](CF)C1 ZINC001171221536 808010271 /nfs/dbraw/zinc/01/02/71/808010271.db2.gz ORPRUIPAEUFLID-XJKSGUPXSA-N 1 1 260.356 3.171 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC2CCC1CC2 ZINC001171222480 808012504 /nfs/dbraw/zinc/01/25/04/808012504.db2.gz HKLBMAJXMZKENI-TUBUQKNSSA-N 1 1 254.377 3.364 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)/C(C)=C\C ZINC001264029443 808029596 /nfs/dbraw/zinc/02/95/96/808029596.db2.gz DIJNUFLDJAYSCM-NGKXZWBQSA-N 1 1 290.451 3.134 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](C/C=C\Cl)[C@@H]1CC ZINC001264063899 808032655 /nfs/dbraw/zinc/03/26/55/808032655.db2.gz QBBKDFLXIBAXRE-SVFSAOOCSA-N 1 1 298.858 3.310 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC=CCC1 ZINC001264179517 808044594 /nfs/dbraw/zinc/04/45/94/808044594.db2.gz YJRODQOBIHETNY-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@H]1C[N@@H+](C)CCC1CC1 ZINC001264181038 808045179 /nfs/dbraw/zinc/04/51/79/808045179.db2.gz ZKDVSAQBAGBELG-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO N#C[C@H]1CCC[N@H+]([C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171438459 808057348 /nfs/dbraw/zinc/05/73/48/808057348.db2.gz SGFCGSPJIUFBDR-ZFWWWQNUSA-N 1 1 272.367 3.309 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CCCC)C(C)C ZINC001264380452 808065315 /nfs/dbraw/zinc/06/53/15/808065315.db2.gz JQWWILSZBPQHHR-SJORKVTESA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2(CF)CCC2)[C@H]1CC ZINC001264618736 808082031 /nfs/dbraw/zinc/08/20/31/808082031.db2.gz QNTBCAUSBYLBOD-LSDHHAIUSA-N 1 1 296.430 3.062 20 30 CGEDMO CCCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C#CC(C)C ZINC001264740333 808089216 /nfs/dbraw/zinc/08/92/16/808089216.db2.gz NOTBBKHXIUHEMR-KRWDZBQOSA-N 1 1 292.467 3.149 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171544478 808089368 /nfs/dbraw/zinc/08/93/68/808089368.db2.gz VFPGLPILVNEPMC-WCQYABFASA-N 1 1 293.332 3.306 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCCNC(=O)[C@@H]1CC[C@@H](C)C1 ZINC001265136681 808112627 /nfs/dbraw/zinc/11/26/27/808112627.db2.gz DLAKJTNXUPPFDT-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC[N@@H+](CCCNC(=O)C=C1CCCCC1)C1CC1 ZINC001265154572 808113611 /nfs/dbraw/zinc/11/36/11/808113611.db2.gz CPKNSKBPQZVSIX-UHFFFAOYSA-N 1 1 276.424 3.034 20 30 CGEDMO C#CCOCC[N@@H+]1CCC[C@]1(C)Cc1cccc(Cl)c1 ZINC001171714169 808126091 /nfs/dbraw/zinc/12/60/91/808126091.db2.gz NPYFAMVPFBYZDS-QGZVFWFLSA-N 1 1 291.822 3.387 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](CC/C=C\CC)C1 ZINC001265306090 808128332 /nfs/dbraw/zinc/12/83/32/808128332.db2.gz JIUWVHYIOWJEIM-ZPIQOJFGSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@H+](CCCC(C)C)C2)CCC1 ZINC001265301335 808129175 /nfs/dbraw/zinc/12/91/75/808129175.db2.gz IONMMEHEDQLHKO-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C[C@@H]1C[C@H](N2CCC[C@@H](C#N)CC2)C[N@H+]1Cc1ccccc1 ZINC001171763166 808133194 /nfs/dbraw/zinc/13/31/94/808133194.db2.gz ORATYXHHKGZEFC-LMMKCTJWSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](C#N)CC2)CN1Cc1ccccc1 ZINC001171763166 808133199 /nfs/dbraw/zinc/13/31/99/808133199.db2.gz ORATYXHHKGZEFC-LMMKCTJWSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](C#N)CC2)CN1Cc1ccccc1 ZINC001171763166 808133206 /nfs/dbraw/zinc/13/32/06/808133206.db2.gz ORATYXHHKGZEFC-LMMKCTJWSA-N 1 1 297.446 3.275 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(F)cc2C)C1 ZINC001171840040 808147900 /nfs/dbraw/zinc/14/79/00/808147900.db2.gz ABKRSLVZZWCHAF-PBHICJAKSA-N 1 1 277.383 3.456 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)CCC)C1 ZINC001265577087 808156682 /nfs/dbraw/zinc/15/66/82/808156682.db2.gz BOSVLBHUBCFGOA-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)C2=CCCC2)C1 ZINC001265579457 808156924 /nfs/dbraw/zinc/15/69/24/808156924.db2.gz FQRUFDRQRFAUGF-HZPDHXFCSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](CNC(=O)C[C@@H]2C=CCCC2)C1 ZINC001265584899 808157443 /nfs/dbraw/zinc/15/74/43/808157443.db2.gz WVFXFNGHPFRJMN-IAGOWNOFSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)CC(C)=C(C)C)C1 ZINC001265588911 808158772 /nfs/dbraw/zinc/15/87/72/808158772.db2.gz KAYOZNYNHYJSAW-MRXNPFEDSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](CCC)C(C)C)C1 ZINC001265593140 808159054 /nfs/dbraw/zinc/15/90/54/808159054.db2.gz QHIUUYHZBWITAP-CVEARBPZSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)C2(C)CCCCC2)C1 ZINC001265591391 808159129 /nfs/dbraw/zinc/15/91/29/808159129.db2.gz TYQSFUHMOKCJMZ-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO CC1(C)C[C@H](NC2(C#N)CCC2)CC[N@H+]1Cc1ccccc1 ZINC001171962076 808159997 /nfs/dbraw/zinc/15/99/97/808159997.db2.gz BWSXJMVMBMLISR-QGZVFWFLSA-N 1 1 297.446 3.465 20 30 CGEDMO CC1(C)C[C@@H](NC2(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171962139 808160104 /nfs/dbraw/zinc/16/01/04/808160104.db2.gz BRQLXOHAHHUYHZ-INIZCTEOSA-N 1 1 283.419 3.075 20 30 CGEDMO C=CCCCC(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H](F)CC ZINC001265652178 808164844 /nfs/dbraw/zinc/16/48/44/808164844.db2.gz SFQXPMCYMZXNQX-LSDHHAIUSA-N 1 1 284.419 3.062 20 30 CGEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H](C)CC(C)(C)C ZINC001265654149 808164877 /nfs/dbraw/zinc/16/48/77/808164877.db2.gz OCDJLJSBMUFKQN-JKSUJKDBSA-N 1 1 292.467 3.053 20 30 CGEDMO N#CCCN[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172064009 808170510 /nfs/dbraw/zinc/17/05/10/808170510.db2.gz DAFWTRUWZRBEJE-BCDXTJNWSA-N 1 1 283.419 3.075 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)C2CC2)C1 ZINC001265706072 808171942 /nfs/dbraw/zinc/17/19/42/808171942.db2.gz QLSPACNJXJOZSY-GJZGRUSLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1c(F)cccc1F ZINC001265759522 808179066 /nfs/dbraw/zinc/17/90/66/808179066.db2.gz XEPHSOOLZFBHRZ-NEPJUHHUSA-N 1 1 296.361 3.086 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)C(C)=C1CCC1 ZINC001265842933 808185974 /nfs/dbraw/zinc/18/59/74/808185974.db2.gz PPCGXIMFRUCELS-AWEZNQCLSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)[C@H]1CCC1(C)C ZINC001265908737 808192164 /nfs/dbraw/zinc/19/21/64/808192164.db2.gz XQJBENGHDJIWSK-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO N#C[C@H]1CCC[N@H+]([C@@H]2CSc3ccccc3C2)CC1 ZINC001172206770 808198871 /nfs/dbraw/zinc/19/88/71/808198871.db2.gz ULALJURSVZSBAW-ZFWWWQNUSA-N 1 1 272.417 3.329 20 30 CGEDMO CCCCCCCC[NH2+]C1CCN(CCCOC)CC1 ZINC001172245080 808209010 /nfs/dbraw/zinc/20/90/10/808209010.db2.gz PYVIDGXGZIZUIY-UHFFFAOYSA-N 1 1 284.488 3.437 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)CC(C)(C)C=C)C1 ZINC001266103731 808211559 /nfs/dbraw/zinc/21/15/59/808211559.db2.gz WSPRHXABNWSFPU-OAHLLOKOSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]([N@@H+](C)CC2CCCC2)C1 ZINC001266110811 808213664 /nfs/dbraw/zinc/21/36/64/808213664.db2.gz PLPPUCDGPSTERX-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172304824 808221835 /nfs/dbraw/zinc/22/18/35/808221835.db2.gz AHDJBISGTAYHPM-CQSZACIVSA-N 1 1 255.365 3.115 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@@H](N2CCCCC2)C1 ZINC001172306004 808222091 /nfs/dbraw/zinc/22/20/91/808222091.db2.gz HRKYXNSMGVDPFF-QFBILLFUSA-N 1 1 297.446 3.049 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H](N2CCCCC2)C1 ZINC001172306004 808222096 /nfs/dbraw/zinc/22/20/96/808222096.db2.gz HRKYXNSMGVDPFF-QFBILLFUSA-N 1 1 297.446 3.049 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@@H](C)CC12CC2 ZINC001172311268 808222759 /nfs/dbraw/zinc/22/27/59/808222759.db2.gz RDPJSGGMUCIHNM-UONOGXRCSA-N 1 1 254.377 3.364 20 30 CGEDMO COCC[C@@H]1CCCC[N@H+]1[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172307505 808223442 /nfs/dbraw/zinc/22/34/42/808223442.db2.gz OUGZHQANZOYWNW-YJBOKZPZSA-N 1 1 286.419 3.380 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1cccc(O)c1 ZINC001172313940 808223874 /nfs/dbraw/zinc/22/38/74/808223874.db2.gz HAUMKAXPYRETCT-CQSZACIVSA-N 1 1 280.371 3.327 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1cccc(O)c1 ZINC001172313939 808224752 /nfs/dbraw/zinc/22/47/52/808224752.db2.gz HAUMKAXPYRETCT-AWEZNQCLSA-N 1 1 280.371 3.327 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@]2(C1)CCCCO2 ZINC001172314983 808225429 /nfs/dbraw/zinc/22/54/29/808225429.db2.gz MYKNYTLXVWBMNK-YJBOKZPZSA-N 1 1 284.403 3.134 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001172319128 808229361 /nfs/dbraw/zinc/22/93/61/808229361.db2.gz LTIHUQPAXIFHDS-BXUZGUMPSA-N 1 1 282.309 3.373 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)C1(CC)CCC1 ZINC001266228803 808230095 /nfs/dbraw/zinc/23/00/95/808230095.db2.gz OSZQTEIYUSGWDS-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)C2(C)CC=CC2)C1 ZINC001266236691 808231359 /nfs/dbraw/zinc/23/13/59/808231359.db2.gz MTNVIPWHNAHMMS-JKSUJKDBSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC[N@@H+](C)CCNC(=O)c1csc2cc(C)ccc21 ZINC001266278697 808237064 /nfs/dbraw/zinc/23/70/64/808237064.db2.gz OSGRWVWXCWQSDC-UHFFFAOYSA-N 1 1 288.416 3.057 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCNC(=O)[C@@H]1CCCC[C@H]1C1CC1 ZINC001266301034 808238341 /nfs/dbraw/zinc/23/83/41/808238341.db2.gz ARDXMRKLCAOUHC-DLBZAZTESA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC001266357150 808248027 /nfs/dbraw/zinc/24/80/27/808248027.db2.gz ZDZDHVOOYZQURY-QGZVFWFLSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)C(C)(C)C(C)(F)F ZINC001266354503 808248548 /nfs/dbraw/zinc/24/85/48/808248548.db2.gz AVRGCBDMRITASM-LBPRGKRZSA-N 1 1 290.398 3.071 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CCn2nncc2C1 ZINC001172362324 808257333 /nfs/dbraw/zinc/25/73/33/808257333.db2.gz VWMCZFZGIJYCOG-AWEZNQCLSA-N 1 1 264.417 3.233 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)C2(CC)CC2)C1 ZINC001266466686 808270955 /nfs/dbraw/zinc/27/09/55/808270955.db2.gz TVXRWLKOFGLXLZ-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C1(CC(C)C)CCC1 ZINC001266471385 808272811 /nfs/dbraw/zinc/27/28/11/808272811.db2.gz NUJXHEUFABYIAG-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCC1 ZINC001266480070 808273786 /nfs/dbraw/zinc/27/37/86/808273786.db2.gz JLMDRCDFZUCZSH-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@](C)(CC)CCC ZINC001266496517 808277626 /nfs/dbraw/zinc/27/76/26/808277626.db2.gz PVXHZNSEYFZDAE-JZXOWHBKSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@](C)(CC)CCC ZINC001266496517 808277629 /nfs/dbraw/zinc/27/76/29/808277629.db2.gz PVXHZNSEYFZDAE-JZXOWHBKSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](CNC(=O)C(C)(C)CC)C1 ZINC001266528665 808283015 /nfs/dbraw/zinc/28/30/15/808283015.db2.gz VLDNENNONVNXPC-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@@H+](CCC)CCNC(=O)c1cc(C)[nH]c1C ZINC001266573450 808288575 /nfs/dbraw/zinc/28/85/75/808288575.db2.gz UVRFMSXCAAPINY-UHFFFAOYSA-N 1 1 291.439 3.040 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]2C[N@@H+](CC(=C)C)CC[C@H]21 ZINC001266660340 808302745 /nfs/dbraw/zinc/30/27/45/808302745.db2.gz WMUCLFHXPZVTOM-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)/C=C/C(C)(C)C ZINC001266837867 808322120 /nfs/dbraw/zinc/32/21/20/808322120.db2.gz XUANFDRKHDOKKR-NKSUMMKUSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C1(C)CCCC1 ZINC001266848429 808323749 /nfs/dbraw/zinc/32/37/49/808323749.db2.gz APBFGYTZBNJPFI-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCCC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001266895673 808332419 /nfs/dbraw/zinc/33/24/19/808332419.db2.gz RFNACRFWSCLCJW-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO CC(C)C[C@H]([NH2+][C@H](C)CCCC#N)C(=O)OC(C)(C)C ZINC001172478625 808343445 /nfs/dbraw/zinc/34/34/45/808343445.db2.gz GSOUWUBRJNICAX-KGLIPLIRSA-N 1 1 282.428 3.415 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001172491604 808351284 /nfs/dbraw/zinc/35/12/84/808351284.db2.gz FONOPKBBMTXELI-XQQFMLRXSA-N 1 1 292.345 3.094 20 30 CGEDMO C[C@H](CCCC#N)N1CCC([NH+]2CCCCC2)CC1 ZINC001172491401 808352641 /nfs/dbraw/zinc/35/26/41/808352641.db2.gz NRQWZGISIADUKF-OAHLLOKOSA-N 1 1 263.429 3.019 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)CSC(C)C)C1 ZINC001267101019 808356958 /nfs/dbraw/zinc/35/69/58/808356958.db2.gz ORKCJAKIFAJLRV-HNNXBMFYSA-N 1 1 298.496 3.017 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC001172504600 808359936 /nfs/dbraw/zinc/35/99/36/808359936.db2.gz HSRQZLGJIYZBGN-CABCVRRESA-N 1 1 257.381 3.343 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC001172503992 808360641 /nfs/dbraw/zinc/36/06/41/808360641.db2.gz DHKYCXWSWUKYEL-NZSAHSFTSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@H](CCCC#N)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001172503992 808360648 /nfs/dbraw/zinc/36/06/48/808360648.db2.gz DHKYCXWSWUKYEL-NZSAHSFTSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@H](CCCC#N)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001172503992 808360658 /nfs/dbraw/zinc/36/06/58/808360658.db2.gz DHKYCXWSWUKYEL-NZSAHSFTSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CC[C@H]1COCc1ccccc1 ZINC001172507056 808362763 /nfs/dbraw/zinc/36/27/63/808362763.db2.gz OGYCLIVSNWDKIP-WBVHZDCISA-N 1 1 272.392 3.360 20 30 CGEDMO C[C@@H](CCCC#N)[NH+]1CC(Oc2ccc(F)c(F)c2)C1 ZINC001172507165 808363666 /nfs/dbraw/zinc/36/36/66/808363666.db2.gz QMWZZPCTXJKSJC-NSHDSACASA-N 1 1 280.318 3.110 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCN(Cc2ccccc2)C[C@H]1C ZINC001172507569 808363729 /nfs/dbraw/zinc/36/37/29/808363729.db2.gz WTASEISQBAHDIL-IAGOWNOFSA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@H](CCCC#N)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001172507569 808363739 /nfs/dbraw/zinc/36/37/39/808363739.db2.gz WTASEISQBAHDIL-IAGOWNOFSA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@H](CCCC#N)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001172507569 808363750 /nfs/dbraw/zinc/36/37/50/808363750.db2.gz WTASEISQBAHDIL-IAGOWNOFSA-N 1 1 285.435 3.275 20 30 CGEDMO CCCCCCC[C@@H](CCC)[N@H+]1CCO[C@H](CO)C1 ZINC001172507862 808364317 /nfs/dbraw/zinc/36/43/17/808364317.db2.gz BZZJMHHPEHSJQS-CVEARBPZSA-N 1 1 271.445 3.209 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)C(C)(CC)CC ZINC001267182157 808376268 /nfs/dbraw/zinc/37/62/68/808376268.db2.gz VPRFBPJUMMNBAP-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO CC[N@@H+](CCCC(C)(C)C)CCNC(=O)C#CC(C)(C)C ZINC001267241214 808391743 /nfs/dbraw/zinc/39/17/43/808391743.db2.gz OLTRYRLPTGQCJQ-UHFFFAOYSA-N 1 1 294.483 3.300 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)[C@@H](C)c1cccc(C)c1 ZINC001267251081 808394357 /nfs/dbraw/zinc/39/43/57/808394357.db2.gz UPIPYLGDWPLJTK-INIZCTEOSA-N 1 1 288.435 3.113 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@H](C)CCC ZINC001267259533 808399981 /nfs/dbraw/zinc/39/99/81/808399981.db2.gz COSNPPQEVSQBRJ-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+]1CC/C=C/CC ZINC001267271830 808401539 /nfs/dbraw/zinc/40/15/39/808401539.db2.gz DBUIPOZNQLHRAU-MVGZEHJDSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)C[C@@H](C)CCC)C1 ZINC001267288775 808405172 /nfs/dbraw/zinc/40/51/72/808405172.db2.gz UQZPCEMMAWXHBU-JKSUJKDBSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(Cl)C[N@H+](CCC)CCNC(=O)[C@@H]1CCCC12CC2 ZINC001267315752 808412393 /nfs/dbraw/zinc/41/23/93/808412393.db2.gz UDCTVNAVNAFRJR-AWEZNQCLSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C(Cl)C[N@@H+](CCC)CCNC(=O)[C@@H]1CCCC12CC2 ZINC001267315752 808412397 /nfs/dbraw/zinc/41/23/97/808412397.db2.gz UDCTVNAVNAFRJR-AWEZNQCLSA-N 1 1 298.858 3.147 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)C[C@H]1CCCC[C@@H]1C ZINC001267320263 808413723 /nfs/dbraw/zinc/41/37/23/808413723.db2.gz CWGFMHMIJUUNDL-JKSUJKDBSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@@H+](CCNC(=O)C1(C2CCC2)CCC1)C1CC1 ZINC001267330595 808415117 /nfs/dbraw/zinc/41/51/17/808415117.db2.gz FJKIKPHTUXLPOE-UHFFFAOYSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCCC[N@H+](CCNC(=O)[C@@H]1CCCC[C@H]1C)C1CC1 ZINC001267331369 808418047 /nfs/dbraw/zinc/41/80/47/808418047.db2.gz FUDONPOGKVJWBZ-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)CC(=O)N(CCC)[C@H]1CC[N@@H+](CC(=C)C)C1 ZINC001267542450 808443283 /nfs/dbraw/zinc/44/32/83/808443283.db2.gz WYXLKKBIVZXPCP-INIZCTEOSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCC[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001267565487 808447362 /nfs/dbraw/zinc/44/73/62/808447362.db2.gz NVDVXYJNBMFNJB-FUHWJXTLSA-N 1 1 292.467 3.217 20 30 CGEDMO CC#CC[N@H+]1CC[C@@H](CCNC(=O)CCCCC(C)C)C1 ZINC001267569323 808449933 /nfs/dbraw/zinc/44/99/33/808449933.db2.gz SOOWJYBRQAYGBV-QGZVFWFLSA-N 1 1 292.467 3.054 20 30 CGEDMO C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[C@@H](C)C2)CC1 ZINC001267602364 808456657 /nfs/dbraw/zinc/45/66/57/808456657.db2.gz AGXNEWFEVLGXPP-NVXWUHKLSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H](NC(=O)C=C2CCCCC2)C1 ZINC001267610261 808457182 /nfs/dbraw/zinc/45/71/82/808457182.db2.gz VGNXNOYKLLCFHW-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001267701950 808472486 /nfs/dbraw/zinc/47/24/86/808472486.db2.gz BIZOYHIHCNBZQT-HZPDHXFCSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](CC)c1ccccc1 ZINC001267704273 808474510 /nfs/dbraw/zinc/47/45/10/808474510.db2.gz LCVPNYKQTGDQHK-OKZBNKHCSA-N 1 1 298.430 3.389 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)/C(C)=C/CC ZINC001267704027 808475289 /nfs/dbraw/zinc/47/52/89/808475289.db2.gz CNUDFONJFBFHRQ-DAPLNWGVSA-N 1 1 290.451 3.374 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)CCCC)C1 ZINC001267719333 808476640 /nfs/dbraw/zinc/47/66/40/808476640.db2.gz VVFSABFCYNBPNA-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC(C)(C)CC(=O)N(C)[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001267764812 808486513 /nfs/dbraw/zinc/48/65/13/808486513.db2.gz ZWOKPGFGUZMDQW-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)CCCC[C@@H](C)CC)C1 ZINC001267764334 808486524 /nfs/dbraw/zinc/48/65/24/808486524.db2.gz SRWFFQSZIFGQOB-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC(C)(C)CC(=O)N(C)[C@H]1CC[N@H+](CC/C=C\CC)C1 ZINC001267764007 808486644 /nfs/dbraw/zinc/48/66/44/808486644.db2.gz QOTGHWHVQCPWEM-QWGSZXSUSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](N(CC)C(=O)C2CCCC2)C1 ZINC001267778684 808489965 /nfs/dbraw/zinc/48/99/65/808489965.db2.gz FUNSRWRROJWADM-RDJZCZTQSA-N 1 1 292.467 3.454 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)CCCC[C@@H](C)CC)C1 ZINC001267787182 808492050 /nfs/dbraw/zinc/49/20/50/808492050.db2.gz XIBWYVHYTXMUPP-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)C2=CCCC2)C1 ZINC001267925859 808515621 /nfs/dbraw/zinc/51/56/21/808515621.db2.gz RZQIYACNYFVKGL-GOEBONIOSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CCC[N@H+](C[C@@H](C)CC)C1 ZINC001268194414 808554501 /nfs/dbraw/zinc/55/45/01/808554501.db2.gz ISLXZSHTAHJCSF-RDJZCZTQSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)CC(C)(C)C ZINC001268230290 808562433 /nfs/dbraw/zinc/56/24/33/808562433.db2.gz IGMQKFGYQXYVOP-AWEZNQCLSA-N 1 1 268.445 3.168 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)c1ccoc1C(C)C ZINC001268259806 808571780 /nfs/dbraw/zinc/57/17/80/808571780.db2.gz QYHRQZCFSLKYLP-UHFFFAOYSA-N 1 1 292.423 3.373 20 30 CGEDMO C=CCC[C@@H](C)[NH+]1CC(NC(=O)c2ccoc2CCC)C1 ZINC001268468786 808591134 /nfs/dbraw/zinc/59/11/34/808591134.db2.gz IKFFCYCHTRNPBQ-CYBMUJFWSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CCOC1CCC([N@@H+](C)CCc2ccccn2)CC1 ZINC001173319485 808609982 /nfs/dbraw/zinc/60/99/82/808609982.db2.gz JRBKGDGNZOUXSB-UHFFFAOYSA-N 1 1 274.408 3.070 20 30 CGEDMO C=CCOC1CCC([N@@H+](CC)C2CCOCC2)CC1 ZINC001173327838 808614272 /nfs/dbraw/zinc/61/42/72/808614272.db2.gz TYDDIUBODSBHIM-UHFFFAOYSA-N 1 1 267.413 3.001 20 30 CGEDMO C=CCOC1CCC([N@@H+](C)C[C@@H]2CCCCO2)CC1 ZINC001173327514 808614289 /nfs/dbraw/zinc/61/42/89/808614289.db2.gz NIHCNNIFSDDOBB-GPANFISMSA-N 1 1 267.413 3.001 20 30 CGEDMO N#CCC1CCC([N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)CC1 ZINC001173331272 808616408 /nfs/dbraw/zinc/61/64/08/808616408.db2.gz NRXABHZCNBFBLB-KPFVRQRISA-N 1 1 254.324 3.046 20 30 CGEDMO N#CCC1CCC([N@@H+]2CCc3cccc(O)c3C2)CC1 ZINC001173336772 808617125 /nfs/dbraw/zinc/61/71/25/808617125.db2.gz LEGLHRBFDRHLML-UHFFFAOYSA-N 1 1 270.376 3.223 20 30 CGEDMO C[N@@H+](CCOc1ccccc1)C1CCC(CC#N)CC1 ZINC001173335525 808617476 /nfs/dbraw/zinc/61/74/76/808617476.db2.gz PNRDXJGEROMTLE-UHFFFAOYSA-N 1 1 272.392 3.470 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccsc1C ZINC001268729021 808617926 /nfs/dbraw/zinc/61/79/26/808617926.db2.gz BKZOMCSUKNONGG-GFCCVEGCSA-N 1 1 280.437 3.073 20 30 CGEDMO N#CCC1CCC([N@H+]2CCC[C@H]2c2ncccn2)CC1 ZINC001173338276 808618386 /nfs/dbraw/zinc/61/83/86/808618386.db2.gz GYAGUWBPNQIPJU-NRXISQOPSA-N 1 1 270.380 3.086 20 30 CGEDMO N#CCC1CCC([N@H+]2CC[C@H](COCC3CC3)C2)CC1 ZINC001173337444 808618770 /nfs/dbraw/zinc/61/87/70/808618770.db2.gz KOGFQBHLMMBXDY-WIHSUSGWSA-N 1 1 276.424 3.207 20 30 CGEDMO N#CCC1CCC([N@H+]2CC[C@@H](c3ccccn3)C2)CC1 ZINC001173338801 808618855 /nfs/dbraw/zinc/61/88/55/808618855.db2.gz JBEAPWYILDEMRJ-HWOWSKLDSA-N 1 1 269.392 3.343 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H](C)C[N@H+](C)CCC(C)C ZINC001268748474 808622351 /nfs/dbraw/zinc/62/23/51/808622351.db2.gz GIMNXUMLCUOOIZ-AWEZNQCLSA-N 1 1 268.445 3.071 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC001268960389 808638392 /nfs/dbraw/zinc/63/83/92/808638392.db2.gz OGISGOXXBZQDJN-SZMVWBNQSA-N 1 1 298.430 3.074 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001269084820 808646825 /nfs/dbraw/zinc/64/68/25/808646825.db2.gz YSORZFXJPHNETR-QAETUUGQSA-N 1 1 292.467 3.358 20 30 CGEDMO CC1(C#N)CCC(n2cc(C(=O)C[NH3+])c3ccccc32)CC1 ZINC001173586483 808647318 /nfs/dbraw/zinc/64/73/18/808647318.db2.gz SUISUWUTTFYPNB-UHFFFAOYSA-N 1 1 295.386 3.428 20 30 CGEDMO C[C@@H]1C[N@H+](C2CCC(C)(C#N)CC2)CCC1(F)F ZINC001173592684 808648740 /nfs/dbraw/zinc/64/87/40/808648740.db2.gz YOISSTOVXGYWJJ-PNESKVBLSA-N 1 1 256.340 3.436 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CCc3cc(CO)ccc3C2)CC1 ZINC001173594227 808650084 /nfs/dbraw/zinc/65/00/84/808650084.db2.gz VVZLYOJXMHBYLQ-UHFFFAOYSA-N 1 1 284.403 3.009 20 30 CGEDMO COC(C)(C)[C@H]1CCC[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173600164 808650709 /nfs/dbraw/zinc/65/07/09/808650709.db2.gz WHMHVWCGQVDUFL-NPCAHTBFSA-N 1 1 264.413 3.348 20 30 CGEDMO C[N@@H+](CCc1cccnc1)C1CCC(C)(C#N)CC1 ZINC001173599326 808650828 /nfs/dbraw/zinc/65/08/28/808650828.db2.gz KBLSHUTTYPIIMM-UHFFFAOYSA-N 1 1 257.381 3.028 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CC[C@@H](COCC3CC3)C2)CC1 ZINC001173598927 808651028 /nfs/dbraw/zinc/65/10/28/808651028.db2.gz WAAQBMDMYOWJAI-KLAILNCOSA-N 1 1 276.424 3.207 20 30 CGEDMO COc1ccc2c(c1)C[N@@H+](C1CCC(C)(C#N)CC1)C2 ZINC001173599710 808651126 /nfs/dbraw/zinc/65/11/26/808651126.db2.gz OUNLQTOCYMOJHF-UHFFFAOYSA-N 1 1 270.376 3.483 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CC[C@@]3(CC3(F)F)C2)CC1 ZINC001173597653 808651226 /nfs/dbraw/zinc/65/12/26/808651226.db2.gz CXPFOQJCYXKVBG-WXRRBKDZSA-N 1 1 254.324 3.190 20 30 CGEDMO CC[N@@H+](Cc1cccnc1)C1CCC(C)(C#N)CC1 ZINC001173600172 808651481 /nfs/dbraw/zinc/65/14/81/808651481.db2.gz WJAQZUZJIGJWRG-UHFFFAOYSA-N 1 1 257.381 3.376 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)c1oc(C)cc1C ZINC001269215759 808655827 /nfs/dbraw/zinc/65/58/27/808655827.db2.gz QZWJEWMBZIYBEX-DZGCQCFKSA-N 1 1 290.407 3.055 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](N(C)C(=O)C(C)C)C1 ZINC001269218109 808658266 /nfs/dbraw/zinc/65/82/66/808658266.db2.gz VAFLONKVZXFCTA-HNNXBMFYSA-N 1 1 268.445 3.146 20 30 CGEDMO C=CCCCC[N@H+](C)[C@@H]1CC[C@H](CC(=O)OCC)C1 ZINC001173655857 808661091 /nfs/dbraw/zinc/66/10/91/808661091.db2.gz BULGSDBTOYCGBC-LSDHHAIUSA-N 1 1 267.413 3.396 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C2(C)CCCC2)C1 ZINC001269262240 808661905 /nfs/dbraw/zinc/66/19/05/808661905.db2.gz FXHQMHXMWDBJIN-JKSUJKDBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)C(CCC)CCC)C1 ZINC001269269361 808662025 /nfs/dbraw/zinc/66/20/25/808662025.db2.gz YYJXWCKVPPVTSE-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC)CCCCC)C1 ZINC001269296800 808665990 /nfs/dbraw/zinc/66/59/90/808665990.db2.gz RKWNCWWAOJEVAT-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C(C)C)C1 ZINC001269556342 808688305 /nfs/dbraw/zinc/68/83/05/808688305.db2.gz LITIXOYWIRAWCV-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[NH+]1CC(N(C)C(=O)[C@](C)(F)CCCC)C1 ZINC001269812411 808705410 /nfs/dbraw/zinc/70/54/10/808705410.db2.gz FMVIYOMYIMIVPS-MRXNPFEDSA-N 1 1 284.419 3.014 20 30 CGEDMO C=CCC[NH+]1CC(N(C)C(=O)[C@H](C)CC2CCCCC2)C1 ZINC001269881637 808708067 /nfs/dbraw/zinc/70/80/67/808708067.db2.gz KVIOSFZIAVXCFC-OAHLLOKOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)C2=CCCCCC2)C1 ZINC001270578420 808736519 /nfs/dbraw/zinc/73/65/19/808736519.db2.gz XMDOLLSFAOIMCM-GOSISDBHSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)CCCCC(C)C)C1 ZINC001270643241 808741285 /nfs/dbraw/zinc/74/12/85/808741285.db2.gz UBNMRHGNBPELJV-QGZVFWFLSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)C(C)(C)C(C)C)C1 ZINC001270966260 808756649 /nfs/dbraw/zinc/75/66/49/808756649.db2.gz WSLQBKRLKSILHE-GOSISDBHSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@]1(C)CCC[N@H+](CC(=C)C)C1 ZINC001270965272 808756705 /nfs/dbraw/zinc/75/67/05/808756705.db2.gz DNXFHYPDYSOJGB-GOSISDBHSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)/C(C)=C/C)C1 ZINC001270950424 808756751 /nfs/dbraw/zinc/75/67/51/808756751.db2.gz SIPKDYGNEJYHHQ-CVDFKLHSSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)[C@@H](C)c1ccccc1 ZINC001272152083 808799352 /nfs/dbraw/zinc/79/93/52/808799352.db2.gz OCXKCGDSPRXPPI-INIZCTEOSA-N 1 1 288.435 3.147 20 30 CGEDMO C=C[C@@H](C(=O)N(C)CC[N@H+](C)CC(C)C)c1ccccc1 ZINC001272179060 808800567 /nfs/dbraw/zinc/80/05/67/808800567.db2.gz VUTSIOJQQIFOLM-QGZVFWFLSA-N 1 1 288.435 3.002 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)C=C(CC)CC)CC[C@H]21 ZINC001272204053 808800950 /nfs/dbraw/zinc/80/09/50/808800950.db2.gz AACJLGPNJJDVTC-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C#CCN1CC[C@@]2(CCC[N@@H+]2CCCCCCCC)C1=O ZINC001272478230 808812436 /nfs/dbraw/zinc/81/24/36/808812436.db2.gz GTLFBBILHCNYEF-SFHVURJKSA-N 1 1 290.451 3.047 20 30 CGEDMO C=CCN1CC[C@]2(CC[N@H+](CC3(C)CCCCC3)C2)C1=O ZINC001273451470 808846770 /nfs/dbraw/zinc/84/67/70/808846770.db2.gz YZCQNZLHAXHURM-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@]2(CCN([C@H](C)CC)C2=O)CC1 ZINC001273487168 808848541 /nfs/dbraw/zinc/84/85/41/808848541.db2.gz VSMUJJODNARCCI-AEFFLSMTSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@@]2(CCN([C@@H](C)CC)C2=O)C1 ZINC001273495411 808849213 /nfs/dbraw/zinc/84/92/13/808849213.db2.gz WGZZJUKJHPZDHL-DOTOQJQBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCN1c2ccccc2[C@]2(CC[N@H+](C3CCCC3)C2)C1=O ZINC001274022744 808866409 /nfs/dbraw/zinc/86/64/09/808866409.db2.gz MOJIVTKODBXQAW-LJQANCHMSA-N 1 1 296.414 3.105 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H](NC(=O)CC2CCC2)C(C)(C)C1 ZINC001274427151 808876150 /nfs/dbraw/zinc/87/61/50/808876150.db2.gz ZACUWGWXTWVJSG-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCCCCC(=O)N[C@@H]1CC[N@H+](CCCCC)[C@@H](C)C1 ZINC001274611888 808879029 /nfs/dbraw/zinc/87/90/29/808879029.db2.gz MQQKJNPMGUBJHF-DLBZAZTESA-N 1 1 292.467 3.339 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC1CCN(C(=O)[C@@H](C)C2CC2)CC1 ZINC001274945370 808893633 /nfs/dbraw/zinc/89/36/33/808893633.db2.gz JHBOXJZIAOPYLM-HNNXBMFYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@@]2(CCCN(C)C2)C1 ZINC001274974674 808896969 /nfs/dbraw/zinc/89/69/69/808896969.db2.gz ORZAYOHJCZPGKL-MRXNPFEDSA-N 1 1 250.430 3.151 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@@]2(CCCN(C)C2)C1 ZINC001274974674 808896975 /nfs/dbraw/zinc/89/69/75/808896975.db2.gz ORZAYOHJCZPGKL-MRXNPFEDSA-N 1 1 250.430 3.151 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)C1(CCCC)CC1 ZINC001275143774 808915197 /nfs/dbraw/zinc/91/51/97/808915197.db2.gz QBKHVPXOAXKCAE-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](CCC)C(C)C ZINC001275150653 808918041 /nfs/dbraw/zinc/91/80/41/808918041.db2.gz KYXHGNKBGQQEIM-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)/C=C(/C)CC)C2)C1 ZINC001275184605 808919885 /nfs/dbraw/zinc/91/98/85/808919885.db2.gz QTUTVQMHWOSGAJ-HHDOJMEMSA-N 1 1 290.451 3.089 20 30 CGEDMO CCC/C=C/CC[N@@H+](C)C[C@@H](C)NC(=O)C#CC(C)(C)C ZINC001275550802 808947715 /nfs/dbraw/zinc/94/77/15/808947715.db2.gz BCYKLRHXTYHPTG-ZNFPLGDCSA-N 1 1 292.467 3.219 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001275565831 808948466 /nfs/dbraw/zinc/94/84/66/808948466.db2.gz JQEYDMRLWNIWEE-CVEARBPZSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001275565833 808948510 /nfs/dbraw/zinc/94/85/10/808948510.db2.gz JQEYDMRLWNIWEE-HZPDHXFCSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001275729483 808961420 /nfs/dbraw/zinc/96/14/20/808961420.db2.gz NGDMNJISFKNRDC-NNGSBXSVSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)CC1CCCCC1 ZINC001275766171 808963625 /nfs/dbraw/zinc/96/36/25/808963625.db2.gz ZYCBROYHUMAVPD-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H](C)[N@@H+](C)CC1CC(C)(C)C1 ZINC001275843927 808970775 /nfs/dbraw/zinc/97/07/75/808970775.db2.gz JWHRAHHOXXGYHS-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)[C@H](F)c1ccccc1 ZINC001275947918 808979561 /nfs/dbraw/zinc/97/95/61/808979561.db2.gz YVHGOEYYPAHYTR-GOEBONIOSA-N 1 1 292.398 3.100 20 30 CGEDMO C#Cc1cccc(CN2CC[C@H]3C[N@H+](C4CCCC4)C[C@H]32)c1 ZINC001276097570 808987794 /nfs/dbraw/zinc/98/77/94/808987794.db2.gz XCSRMGYUHGRQPU-AZUAARDMSA-N 1 1 294.442 3.117 20 30 CGEDMO CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)C(C)(C)C ZINC001276311300 809001721 /nfs/dbraw/zinc/00/17/21/809001721.db2.gz LZSPRLSGRHPMPJ-JKSUJKDBSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1C[N@@H+](CC2CCCC2)CC1(C)C ZINC001276586429 809019029 /nfs/dbraw/zinc/01/90/29/809019029.db2.gz IWDBIAISUBHUCG-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)CCC1CCCC1 ZINC001276780962 809031496 /nfs/dbraw/zinc/03/14/96/809031496.db2.gz BHDITRXZWOQNEX-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)C2C(C)(C)C2(C)C)CC1 ZINC001277391548 809072217 /nfs/dbraw/zinc/07/22/17/809072217.db2.gz LNUUATJEAPIHIH-UHFFFAOYSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC([N@H+](C)CCCC)CC1 ZINC001277424165 809073700 /nfs/dbraw/zinc/07/37/00/809073700.db2.gz ZZUYXXNZXAQDIF-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@]2(CC[N@H+](CC=C(C)C)C2)C1 ZINC001277516107 809079267 /nfs/dbraw/zinc/07/92/67/809079267.db2.gz GFDQHFZRAGPPQW-SFHVURJKSA-N 1 1 290.451 3.233 20 30 CGEDMO CCCC[N@H+]1CC[C@H]2C[C@]21C(=O)Nc1cc(C)ccc1C#N ZINC001278217314 809120768 /nfs/dbraw/zinc/12/07/68/809120768.db2.gz BBKYHLKXSZLNQF-MAUKXSAKSA-N 1 1 297.402 3.070 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC ZINC001278320723 809125501 /nfs/dbraw/zinc/12/55/01/809125501.db2.gz XQICZJSXWIVIOX-CVEARBPZSA-N 1 1 278.440 3.208 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)C(CC)CC)CCC[C@@H]12 ZINC001278431795 809133364 /nfs/dbraw/zinc/13/33/64/809133364.db2.gz RIYFUPWMMQEWHA-GDBMZVCRSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)C(CC)CC)CCC[C@@H]12 ZINC001278431795 809133368 /nfs/dbraw/zinc/13/33/68/809133368.db2.gz RIYFUPWMMQEWHA-GDBMZVCRSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)CCC3CCC3)CCC[C@H]12 ZINC001278447910 809135405 /nfs/dbraw/zinc/13/54/05/809135405.db2.gz WFBLPIRIWQTPJX-FUHWJXTLSA-N 1 1 290.451 3.256 20 30 CGEDMO C=CCCC(=O)N[C@H]1CCC[N@@H+](CCC(C)(C)C)[C@H]1C ZINC001278500795 809138069 /nfs/dbraw/zinc/13/80/69/809138069.db2.gz OGNBAOMMXRAQQY-GJZGRUSLSA-N 1 1 280.456 3.358 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)C(CCC)CCC)[C@H]1C ZINC001278520809 809138549 /nfs/dbraw/zinc/13/85/49/809138549.db2.gz ISWXWMDZHWEWGA-NVXWUHKLSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C(CC=C)CC=C)[C@@H]1C ZINC001278511293 809139110 /nfs/dbraw/zinc/13/91/10/809139110.db2.gz SWYLBBDBCQDRRB-DOTOQJQBSA-N 1 1 290.451 3.300 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)C2(C)CC(=C)C2)C1 ZINC001278678313 809151393 /nfs/dbraw/zinc/15/13/93/809151393.db2.gz PQQISAXZGMXWPC-KRWDZBQOSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)C[C@@H](C)CC)CC1 ZINC001279544126 809174292 /nfs/dbraw/zinc/17/42/92/809174292.db2.gz DHORSOLFYDZWRF-HNNXBMFYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H](NC(=O)C=C2CCC2)CC1 ZINC001280728975 809195817 /nfs/dbraw/zinc/19/58/17/809195817.db2.gz RHWXRMZJNGCGBO-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO CC#CC[N@H+](C)CCCN(C)C(=O)C[C@H](CC)C(C)(C)C ZINC001280872546 809203576 /nfs/dbraw/zinc/20/35/76/809203576.db2.gz GMZLSWUFIACETI-INIZCTEOSA-N 1 1 294.483 3.252 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H](NC(=O)c2ccco2)C(C)(C)C1 ZINC001281537215 809213788 /nfs/dbraw/zinc/21/37/88/809213788.db2.gz VJADLQKVYKWSED-OAHLLOKOSA-N 1 1 290.407 3.076 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cc(C)c(C)o1 ZINC001281927998 809223370 /nfs/dbraw/zinc/22/33/70/809223370.db2.gz HVWZJRXZQDLCQM-HNNXBMFYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]1C[N@@H+](C)CCC1CC1 ZINC001281956056 809225192 /nfs/dbraw/zinc/22/51/92/809225192.db2.gz AFWROJQKLUZXMI-WMZOPIPTSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]([C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001281974419 809226980 /nfs/dbraw/zinc/22/69/80/809226980.db2.gz CEIAWQQMROIVPB-IRXDYDNUSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)/C=C(/C)C2CC2)C(C)(C)C1 ZINC001282791953 809263390 /nfs/dbraw/zinc/26/33/90/809263390.db2.gz RGOUYDRNNYGULC-DNXIFWLFSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC1(C(=O)N2CCC([N@@H+](C)CC3CC3)CC2)CCC1 ZINC001283324740 809276141 /nfs/dbraw/zinc/27/61/41/809276141.db2.gz CWFVXDHMHOFIKK-UHFFFAOYSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CCC[N@H+](CC(CC)CC)[C@@H]1C ZINC001284117615 809296751 /nfs/dbraw/zinc/29/67/51/809296751.db2.gz GSIDDXMNXXMUNY-GDBMZVCRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2cocc2C)[C@H]1C ZINC001284132936 809298069 /nfs/dbraw/zinc/29/80/69/809298069.db2.gz YHWOOWJPYYIHFJ-ZBFHGGJFSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CC[C@H](C(=O)OC)[N@H+](CCC)Cc1ccc(OC)cc1 ZINC001175322387 809354536 /nfs/dbraw/zinc/35/45/36/809354536.db2.gz CNCDCDDGFYNZAO-MRXNPFEDSA-N 1 1 291.391 3.025 20 30 CGEDMO C=CC[C@H](C(=O)OC)[N@@H+](CCC)Cc1ccc(OC)cc1 ZINC001175322387 809354541 /nfs/dbraw/zinc/35/45/41/809354541.db2.gz CNCDCDDGFYNZAO-MRXNPFEDSA-N 1 1 291.391 3.025 20 30 CGEDMO C=CCCCCCN(C)C(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[N@@H+]2C1 ZINC001293771688 809453936 /nfs/dbraw/zinc/45/39/36/809453936.db2.gz XGUJMIIYNZDWJB-GVDBMIGSSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCCCN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001293770689 809454361 /nfs/dbraw/zinc/45/43/61/809454361.db2.gz KEQCKOPUTADOFD-INIZCTEOSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CC(C)(C)CCCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001303335032 809609609 /nfs/dbraw/zinc/60/96/09/809609609.db2.gz QBQDFEOPDCZRBK-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(OC)ccc2Cl)C1 ZINC001176070787 809614217 /nfs/dbraw/zinc/61/42/17/809614217.db2.gz QAOLRGHYQGWLND-GFCCVEGCSA-N 1 1 263.768 3.194 20 30 CGEDMO C#CC[N@H+](CCCOc1c(C)cccc1C)C(C)C ZINC001176373780 809682127 /nfs/dbraw/zinc/68/21/27/809682127.db2.gz ZFKIGMALKKLMAH-UHFFFAOYSA-N 1 1 259.393 3.416 20 30 CGEDMO C=C[C@@H](C(=O)OC)[N@@H+]1CCC(C)(C)[C@H](c2ccccc2)C1 ZINC001176566715 809718343 /nfs/dbraw/zinc/71/83/43/809718343.db2.gz CEJWKWDWAOSXMP-HOTGVXAUSA-N 1 1 287.403 3.230 20 30 CGEDMO C=C[C@@H](C(=O)OC)[N@H+]1CCC(C)(C)[C@H](c2ccccc2)C1 ZINC001176566715 809718346 /nfs/dbraw/zinc/71/83/46/809718346.db2.gz CEJWKWDWAOSXMP-HOTGVXAUSA-N 1 1 287.403 3.230 20 30 CGEDMO C[C@]12C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001176619780 809731839 /nfs/dbraw/zinc/73/18/39/809731839.db2.gz NNNOKHDPWWURMY-XWTMOSNGSA-N 1 1 266.388 3.426 20 30 CGEDMO C[C@@H]([NH2+]Cc1cc2c(cc[nH]c2=O)o1)c1ccc(C#N)cc1 ZINC001177524431 809804087 /nfs/dbraw/zinc/80/40/87/809804087.db2.gz DHXKULNUHHTIJW-LLVKDONJSA-N 1 1 293.326 3.256 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1ccc(OCCC)c(OC)c1 ZINC001177903945 809830911 /nfs/dbraw/zinc/83/09/11/809830911.db2.gz FSWHLCKYLPTVHP-UHFFFAOYSA-N 1 1 269.772 3.326 20 30 CGEDMO C#CC[N@H+](Cc1cc(C)nc2c1CCCC2)CC1CC1 ZINC001180116922 809975197 /nfs/dbraw/zinc/97/51/97/809975197.db2.gz OTQYKDVLUSSRBY-UHFFFAOYSA-N 1 1 268.404 3.114 20 30 CGEDMO C=CCC[C@@H](CC)[NH2+]CC1(CN(C)C)CCCC1 ZINC001180673798 810017186 /nfs/dbraw/zinc/01/71/86/810017186.db2.gz QUHPMIQGCDLDRV-OAHLLOKOSA-N 1 1 252.446 3.443 20 30 CGEDMO C=CCN1CC[C@H]([N@H+](C)C[C@H](C)CC2CCCCC2)C1=O ZINC001181244348 810043766 /nfs/dbraw/zinc/04/37/66/810043766.db2.gz PWXFENYVZBWKNY-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO COc1ccc(SCC[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC001182856132 810127486 /nfs/dbraw/zinc/12/74/86/810127486.db2.gz SVIWLFLJRFPPBZ-CQSZACIVSA-N 1 1 290.432 3.413 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)CCCC)[C@@H]2C1 ZINC001186975926 810377028 /nfs/dbraw/zinc/37/70/28/810377028.db2.gz OOTHVDZUMQEBBG-YESZJQIVSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)C(C)C)[C@@H]2C1 ZINC001187190792 810389487 /nfs/dbraw/zinc/38/94/87/810389487.db2.gz CAYDIQNUWPLQJI-YESZJQIVSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]2C[N@H+](C[C@H](C)CC(C)C)C[C@H]21 ZINC001187240666 810390723 /nfs/dbraw/zinc/39/07/23/810390723.db2.gz WBHLHSBWXPXXGC-IXDOHACOSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CCCC(C)(C)C)[C@@H]2C1 ZINC001187288853 810393082 /nfs/dbraw/zinc/39/30/82/810393082.db2.gz NZHFBILRORJAII-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)/C=C/C(C)(C)C)[C@@H]2C1 ZINC001187365649 810396595 /nfs/dbraw/zinc/39/65/95/810396595.db2.gz AVRFKQMVMZMWNP-CABXGAGESA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](CC=C(C)C)C[C@H]21 ZINC001188885575 810521307 /nfs/dbraw/zinc/52/13/07/810521307.db2.gz QWHPKKKWGRSMDT-IXDOHACOSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C(CC)CC)C1 ZINC001188939881 810525642 /nfs/dbraw/zinc/52/56/42/810525642.db2.gz FSEZJAPUSBDZPU-GOEBONIOSA-N 1 1 280.456 3.310 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CSCCC)C1 ZINC001189143373 810544772 /nfs/dbraw/zinc/54/47/72/810544772.db2.gz ZRXZMAHZWHIXEO-HUUCEWRRSA-N 1 1 298.496 3.017 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CCCC(C)C)[C@@H]2C1 ZINC001189230087 810550596 /nfs/dbraw/zinc/55/05/96/810550596.db2.gz HIVJKWIQFCIJJO-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC(=O)N1CC[C@@H]([N@@H+](C)CC2CCCCCC2)C1 ZINC001189281084 810554573 /nfs/dbraw/zinc/55/45/73/810554573.db2.gz XTMRITHYAAAVQY-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)CC(C)(C)C)[C@@H]2C1 ZINC001189324259 810559258 /nfs/dbraw/zinc/55/92/58/810559258.db2.gz HGQOGERINMGTLU-OWCLPIDISA-N 1 1 292.467 3.168 20 30 CGEDMO CC(C)CCC[N@@H+](C)[C@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190076914 810606885 /nfs/dbraw/zinc/60/68/85/810606885.db2.gz WYOWZJFKOVALRN-INIZCTEOSA-N 1 1 292.467 3.005 20 30 CGEDMO CC#CC[N@H+](C)[C@@H]1CCN(C(=O)CCCC[C@@H](C)CC)C1 ZINC001190361622 810624290 /nfs/dbraw/zinc/62/42/90/810624290.db2.gz FWGPDASSPZQDMG-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@H]([N@@H+](C)CC=C(C)C)C1 ZINC001190388637 810625382 /nfs/dbraw/zinc/62/53/82/810625382.db2.gz OBCGIZPGKOIWDJ-HNNXBMFYSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CC[N@@H+](CC1CCCCC1)[C@@H](CC)C(=O)OCC ZINC001190983631 810660700 /nfs/dbraw/zinc/66/07/00/810660700.db2.gz DNFFHROGPQDERS-HNNXBMFYSA-N 1 1 267.413 3.396 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@](C)(F)CCCC)C1 ZINC001191040367 810665720 /nfs/dbraw/zinc/66/57/20/810665720.db2.gz IQYOKWXIQXUMJS-GOEBONIOSA-N 1 1 284.419 3.014 20 30 CGEDMO N#Cc1ccnc(C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c1 ZINC001191071517 810670990 /nfs/dbraw/zinc/67/09/90/810670990.db2.gz WTWJJWDKQMEATD-MRXNPFEDSA-N 1 1 295.361 3.157 20 30 CGEDMO C=CC[C@H](C(=O)OC)[N@H+](C)CC(C)(C)c1ccc(C)cc1 ZINC001191244239 810692447 /nfs/dbraw/zinc/69/24/47/810692447.db2.gz HEIJHMXPJUTYRY-MRXNPFEDSA-N 1 1 289.419 3.322 20 30 CGEDMO C=CC[C@H](C(=O)OC)[N@@H+](C)CC(C)(C)c1ccc(C)cc1 ZINC001191244239 810692452 /nfs/dbraw/zinc/69/24/52/810692452.db2.gz HEIJHMXPJUTYRY-MRXNPFEDSA-N 1 1 289.419 3.322 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC001191321186 810699947 /nfs/dbraw/zinc/69/99/47/810699947.db2.gz XEVMXJQMDCUCIU-ULQDDVLXSA-N 1 1 295.467 3.373 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001191590892 810726205 /nfs/dbraw/zinc/72/62/05/810726205.db2.gz HXYJXGWGUOXQNX-ILXRZTDVSA-N 1 1 294.439 3.023 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)C(=C)C)C1 ZINC001191683210 810729841 /nfs/dbraw/zinc/72/98/41/810729841.db2.gz DBXTWQOUSUFQJN-OAHLLOKOSA-N 1 1 278.440 3.088 20 30 CGEDMO C#CCCCCCC(=O)N1CC[C@H]([N@@H+](C)CCCC=C)C1 ZINC001191763196 810738240 /nfs/dbraw/zinc/73/82/40/810738240.db2.gz JDSUHPLUWYJDAU-KRWDZBQOSA-N 1 1 290.451 3.069 20 30 CGEDMO CC#CCCCC(=O)N1CC[C@@H]([N@H+](C)CC/C=C/CC)C1 ZINC001191859958 810752898 /nfs/dbraw/zinc/75/28/98/810752898.db2.gz UGUSXZKAHWWOMA-UGAXZCSASA-N 1 1 290.451 3.069 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]([N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001192093948 810769028 /nfs/dbraw/zinc/76/90/28/810769028.db2.gz OLJIOKVPOUECKR-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@](C)(C=C)CC)C1 ZINC001192163317 810771804 /nfs/dbraw/zinc/77/18/04/810771804.db2.gz VEXDMKIYWDYOMU-NVXWUHKLSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[C@@H]([N@@H+](C)CCC(C)C)C1 ZINC001192160286 810772327 /nfs/dbraw/zinc/77/23/27/810772327.db2.gz CTGRGHWIMBDVCT-NVXWUHKLSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C2(CCC)CC2)C1 ZINC001192255983 810781798 /nfs/dbraw/zinc/78/17/98/810781798.db2.gz FADGPYROAHUOHF-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)CCC=C(C)C)C1 ZINC001192471477 810800658 /nfs/dbraw/zinc/80/06/58/810800658.db2.gz DEPCFZKIUOSRFI-DLBZAZTESA-N 1 1 292.467 3.478 20 30 CGEDMO C#CCCCCCC[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC001192744308 810819759 /nfs/dbraw/zinc/81/97/59/810819759.db2.gz CRQXJKYWBYHADO-HZPDHXFCSA-N 1 1 251.414 3.053 20 30 CGEDMO C#CCCCCCC[N@@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC001192955846 810835626 /nfs/dbraw/zinc/83/56/26/810835626.db2.gz KWFUKUIYZQGRNQ-CVEARBPZSA-N 1 1 265.441 3.299 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC23CCCC3)C1 ZINC001193267899 810867036 /nfs/dbraw/zinc/86/70/36/810867036.db2.gz OKTUBMFCVZUTCY-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)CCC2(C)CC2)C1 ZINC001193257299 810867700 /nfs/dbraw/zinc/86/77/00/810867700.db2.gz JQJGTUGKVXSHNP-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)CCc1ccc(OC(F)(F)F)cc1 ZINC001193366570 810878373 /nfs/dbraw/zinc/87/83/73/810878373.db2.gz YXDJNVLEFMMOBO-UHFFFAOYSA-N 1 1 285.309 3.471 20 30 CGEDMO C=CC[C@H]1[N@@H+](C/C=C\C(=O)OCC)CCCC1(C)C ZINC001193920927 810980668 /nfs/dbraw/zinc/98/06/68/810980668.db2.gz QZKWVBXBCGLAJZ-JKEYDSJLSA-N 1 1 265.397 3.172 20 30 CGEDMO CCCCCCCOC(=O)NC1CC[NH+](CCF)CC1 ZINC001194015977 811002455 /nfs/dbraw/zinc/00/24/55/811002455.db2.gz REQRLLLFJCGNNZ-UHFFFAOYSA-N 1 1 288.407 3.117 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC001194020992 811003817 /nfs/dbraw/zinc/00/38/17/811003817.db2.gz UJVZBWJFJMEHSN-KBPBESRZSA-N 1 1 262.372 3.301 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(CC)CC)C1 ZINC001194146641 811021762 /nfs/dbraw/zinc/02/17/62/811021762.db2.gz UBOCYGJLWVMUKI-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)c2cccc(C3CC3)c2)C1 ZINC001194325621 811052582 /nfs/dbraw/zinc/05/25/82/811052582.db2.gz KNJGRZFOODYPHX-GOSISDBHSA-N 1 1 298.430 3.286 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)C2CCC(C)(C)CC2)C1 ZINC001194345768 811055925 /nfs/dbraw/zinc/05/59/25/811055925.db2.gz NWISLYJIWXSGDX-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)C2CCC(C)(C)CC2)C1 ZINC001194345767 811056378 /nfs/dbraw/zinc/05/63/78/811056378.db2.gz NWISLYJIWXSGDX-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)C2(C)CCC(C)CC2)C1 ZINC001194359377 811059052 /nfs/dbraw/zinc/05/90/52/811059052.db2.gz OYBJPQOGCGJGKT-UPTPFMHGSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@H]([N@@H+](C)CC3CC3)C2)CCCC1 ZINC001194555076 811090301 /nfs/dbraw/zinc/09/03/01/811090301.db2.gz IFRPYCUHGLHESB-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO CCCCCCCCOC(=O)N[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC001194753964 811124695 /nfs/dbraw/zinc/12/46/95/811124695.db2.gz XNTPZCCAIJFHFA-GJZGRUSLSA-N 1 1 284.444 3.413 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C(CC)CC)CC1 ZINC001194883202 811163214 /nfs/dbraw/zinc/16/32/14/811163214.db2.gz NDMWBZQOLQSCLF-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)/C(C)=C/CC)CC1 ZINC001195080132 811197779 /nfs/dbraw/zinc/19/77/79/811197779.db2.gz ZBKMJBQJDQGQAH-LRQZKABGSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCCC(=O)N1CCC[N@@H+](C/C=C\c2ccccc2)CC1 ZINC001195192376 811224030 /nfs/dbraw/zinc/22/40/30/811224030.db2.gz YBWZWNJWTCIMHH-XFFZJAGNSA-N 1 1 298.430 3.200 20 30 CGEDMO C=CCCC(=O)N1CCC[N@H+](CCCCCCC)CC1 ZINC001195233366 811229143 /nfs/dbraw/zinc/22/91/43/811229143.db2.gz TZEXEQKXDSKHGK-UHFFFAOYSA-N 1 1 280.456 3.457 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[N@@H+](CC2CCCC2)CC1 ZINC001195982367 811308703 /nfs/dbraw/zinc/30/87/03/811308703.db2.gz SPSVFZBAOLWDPT-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[N@H+](CCCC(C)C)CC1 ZINC001196732539 811360731 /nfs/dbraw/zinc/36/07/31/811360731.db2.gz SQJKMNNQRNBCSC-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CCC2(C)C)CC1 ZINC001196823389 811371239 /nfs/dbraw/zinc/37/12/39/811371239.db2.gz JHGWFRUMCXQWIL-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC1(C(=O)N2CCC[N@H+](CCCCC)CC2)CC1 ZINC001197061759 811393556 /nfs/dbraw/zinc/39/35/56/811393556.db2.gz GXXCODFIFDIXCU-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C2(CC)CC2)CC1 ZINC001197049802 811395418 /nfs/dbraw/zinc/39/54/18/811395418.db2.gz WGRDRNOWNQKXRM-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[N@H+](CCCCC)CC2)CC1 ZINC001197055471 811395600 /nfs/dbraw/zinc/39/56/00/811395600.db2.gz QCILBBPOROAPNY-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCC1(C(=O)N2CCC[N@H+](CCC(=C)C)CC2)CCC1 ZINC001197077721 811397133 /nfs/dbraw/zinc/39/71/33/811397133.db2.gz WVJZDTAQAFFPGT-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)CCCC(C)C)CC1 ZINC001197245178 811408745 /nfs/dbraw/zinc/40/87/45/811408745.db2.gz QIRVRCZBHZWSSV-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)[C@H](CCC)C(C)C)CC1 ZINC001197307883 811413249 /nfs/dbraw/zinc/41/32/49/811413249.db2.gz IRIMDZDBCWXARF-MRXNPFEDSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)CCCCC(C)C)CC1 ZINC001197484123 811424234 /nfs/dbraw/zinc/42/42/34/811424234.db2.gz APLKFGOVFWYOHU-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO COc1ccc(Nc2[nH+]c3ccccc3n2C)cc1C#N ZINC001214993743 815473585 /nfs/dbraw/zinc/47/35/85/815473585.db2.gz UDALMDNTUGLAOK-UHFFFAOYSA-N 1 1 278.315 3.197 20 30 CGEDMO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](C[C@H](C)CC)CCO2 ZINC001201510146 811875169 /nfs/dbraw/zinc/87/51/69/811875169.db2.gz YJXGPIDYVZBLJV-BRWVUGGUSA-N 1 1 281.440 3.106 20 30 CGEDMO CC[C@@H](C)C[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001201517256 811879994 /nfs/dbraw/zinc/87/99/94/811879994.db2.gz PCDOVQDREBDDEB-PBHICJAKSA-N 1 1 272.392 3.448 20 30 CGEDMO CCCC[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001201714785 811944266 /nfs/dbraw/zinc/94/42/66/811944266.db2.gz BHCIPDDVRMUOIC-HNNXBMFYSA-N 1 1 258.365 3.202 20 30 CGEDMO CCCCCCC[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001201761933 811963272 /nfs/dbraw/zinc/96/32/72/811963272.db2.gz VUIYOLIGGGWMOC-NEPJUHHUSA-N 1 1 285.325 3.294 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001201761933 811963278 /nfs/dbraw/zinc/96/32/78/811963278.db2.gz VUIYOLIGGGWMOC-NEPJUHHUSA-N 1 1 285.325 3.294 20 30 CGEDMO CCCCCCCCCC[N@H+]1CC[C@@](C)(CO)[C@@H](O)C1 ZINC001201852845 811973005 /nfs/dbraw/zinc/97/30/05/811973005.db2.gz OLHSFHOTPPMHCY-IRXDYDNUSA-N 1 1 285.472 3.192 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)Nc1cc(C)[nH+]c(C)c1 ZINC001201914799 811975356 /nfs/dbraw/zinc/97/53/56/811975356.db2.gz FTLLHKHZJMGKKX-UHFFFAOYSA-N 1 1 275.396 3.234 20 30 CGEDMO Cc1cc(O)cc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)c1 ZINC001215507187 815526608 /nfs/dbraw/zinc/52/66/08/815526608.db2.gz AKDRGLWPDSWRDY-UHFFFAOYSA-N 1 1 299.399 3.365 20 30 CGEDMO C#Cc1cccnc1Nc1cc[nH+]c2cc(OC)ccc12 ZINC001203519934 812380654 /nfs/dbraw/zinc/38/06/54/812380654.db2.gz OKBWDIXJHYVIGV-UHFFFAOYSA-N 1 1 275.311 3.363 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)CC1 ZINC001203663761 812422576 /nfs/dbraw/zinc/42/25/76/812422576.db2.gz GNAPJNSQOQOYDL-NSHDSACASA-N 1 1 264.756 3.171 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CC[C@](CF)(C(F)(F)F)C2)c1 ZINC001203756911 812455180 /nfs/dbraw/zinc/45/51/80/812455180.db2.gz FHTMMICGIBIXGG-CYBMUJFWSA-N 1 1 286.272 3.282 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)c1 ZINC001203760305 812456434 /nfs/dbraw/zinc/45/64/34/812456434.db2.gz GYFGZAKQBDXWPR-GOSISDBHSA-N 1 1 296.345 3.351 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](C(F)F)C2)c1 ZINC001203762218 812458369 /nfs/dbraw/zinc/45/83/69/812458369.db2.gz AQSDFJANYUCUCL-ZDUSSCGKSA-N 1 1 250.292 3.035 20 30 CGEDMO COc1ccc(C[N@H+](CCC#N)C2CCCC2)cc1F ZINC001203796890 812464092 /nfs/dbraw/zinc/46/40/92/812464092.db2.gz ZIWJQIVJYWTTOR-UHFFFAOYSA-N 1 1 276.355 3.493 20 30 CGEDMO COc1ccc(C[N@@H+](CCC#N)C2CCCC2)cc1F ZINC001203796890 812464094 /nfs/dbraw/zinc/46/40/94/812464094.db2.gz ZIWJQIVJYWTTOR-UHFFFAOYSA-N 1 1 276.355 3.493 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](F)C(F)(F)CC2)cc1 ZINC001203900480 812486785 /nfs/dbraw/zinc/48/67/85/812486785.db2.gz KBVVESSLVLWDSL-CYBMUJFWSA-N 1 1 268.282 3.127 20 30 CGEDMO N#CC1(c2ccccc2F)CC[NH+](Cc2ccccn2)CC1 ZINC001204065303 812538948 /nfs/dbraw/zinc/53/89/48/812538948.db2.gz CRTARBYKFHOKNS-UHFFFAOYSA-N 1 1 295.361 3.278 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@](C)(O)CC2)cc1 ZINC001204298308 812604328 /nfs/dbraw/zinc/60/43/28/812604328.db2.gz ZTACCBKIUDFHHT-CRAIPNDOSA-N 1 1 289.419 3.234 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](CC)CCCC(=O)OC)cc1 ZINC001204298235 812605250 /nfs/dbraw/zinc/60/52/50/812605250.db2.gz XSYHNSFAOMDOOU-UHFFFAOYSA-N 1 1 291.391 3.027 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001204366242 812621648 /nfs/dbraw/zinc/62/16/48/812621648.db2.gz ANHDLAATLQAAJS-CHWSQXEVSA-N 1 1 286.272 3.138 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001204366242 812621650 /nfs/dbraw/zinc/62/16/50/812621650.db2.gz ANHDLAATLQAAJS-CHWSQXEVSA-N 1 1 286.272 3.138 20 30 CGEDMO CC(=O)n1cc(C[N@H+]2CCC[C@H](C#N)CC2)c2ccccc21 ZINC001204410329 812630914 /nfs/dbraw/zinc/63/09/14/812630914.db2.gz NYPUFKVHLZJMGH-HNNXBMFYSA-N 1 1 295.386 3.427 20 30 CGEDMO Cc1c(F)cccc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001204510246 812661130 /nfs/dbraw/zinc/66/11/30/812661130.db2.gz JPYIDQFIWWBGJP-XMQYKBBCSA-N 1 1 258.340 3.401 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@@](N)(C(F)(F)F)C1 ZINC001206210980 813243092 /nfs/dbraw/zinc/24/30/92/813243092.db2.gz LNDBKIHIHKMEIU-LBPRGKRZSA-N 1 1 266.351 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)CCC)C1 ZINC001206518411 813339881 /nfs/dbraw/zinc/33/98/81/813339881.db2.gz XDZVOXINSWNMDF-BZUAXINKSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OCCCN1CC[NH+](C)CC1 ZINC001206594932 813368669 /nfs/dbraw/zinc/36/86/69/813368669.db2.gz CUUIUAVZOMCLNO-FGTMMUONSA-N 1 1 294.483 3.021 20 30 CGEDMO Cc1cccc(Nc2c[nH+]c(N(C)C)cc2C)c1C#N ZINC001206738118 813414422 /nfs/dbraw/zinc/41/44/22/813414422.db2.gz WVWBELBRIMLDFK-UHFFFAOYSA-N 1 1 266.348 3.380 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1Nc1c(F)cc(C#N)cc1F ZINC001206744587 813417158 /nfs/dbraw/zinc/41/71/58/813417158.db2.gz VATJCVCJEWJBND-UHFFFAOYSA-N 1 1 288.301 3.350 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1c(C)cc(Cl)cc1C ZINC001206780583 813437051 /nfs/dbraw/zinc/43/70/51/813437051.db2.gz REFWYGWSKRVMOZ-UHFFFAOYSA-N 1 1 279.811 3.429 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(C)c(C3OCCO3)cc2C)C1 ZINC001206800518 813439985 /nfs/dbraw/zinc/43/99/85/813439985.db2.gz LAHSLQDKZXCRAL-MRXNPFEDSA-N 1 1 299.414 3.194 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2=CCCCCC2)C1 ZINC001206899042 813457346 /nfs/dbraw/zinc/45/73/46/813457346.db2.gz REUONRBXXRMSBU-NVXWUHKLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](CC2CC(C)C2)C[C@H]1C ZINC001207172328 813503805 /nfs/dbraw/zinc/50/38/05/813503805.db2.gz WVMNWAXFCIGBCZ-GYTBAZASSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)C[C@H]([NH2+][C@@H]1CCC[C@@H](C)CC1)C(=O)OCC ZINC001207341703 813542749 /nfs/dbraw/zinc/54/27/49/813542749.db2.gz ROULKJRVTSVBGP-KFWWJZLASA-N 1 1 267.413 3.443 20 30 CGEDMO C=C(C)C[C@H]([NH2+][C@H]1CCC(C)(C)C1)C(=O)OCC ZINC001207334442 813543083 /nfs/dbraw/zinc/54/30/83/813543083.db2.gz PUTNVCOWRRCQKA-STQMWFEESA-N 1 1 253.386 3.053 20 30 CGEDMO C=CC[N@@H+](C)CCc1ccccc1Br ZINC001207529963 813586738 /nfs/dbraw/zinc/58/67/38/813586738.db2.gz DCKUJVQRDKKARQ-UHFFFAOYSA-N 1 1 254.171 3.109 20 30 CGEDMO C[C@@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@H](C#N)C1 ZINC001207678087 813632383 /nfs/dbraw/zinc/63/23/83/813632383.db2.gz DIGPAPDFIFMLSP-LSDHHAIUSA-N 1 1 266.429 3.189 20 30 CGEDMO C[C@@H](C[N@H+]1CCC2SC(=O)C=C2C1)c1ccccc1 ZINC001207903667 813667767 /nfs/dbraw/zinc/66/77/67/813667767.db2.gz PPNVLAHCRKJWIN-SWLSCSKDSA-N 1 1 273.401 3.064 20 30 CGEDMO C=CCCCCCCCCC[N@H+]1CC[C@H]2CNC(=O)[C@H]2C1 ZINC001207899081 813667804 /nfs/dbraw/zinc/66/78/04/813667804.db2.gz LSYPOBBPTHDEQF-IRXDYDNUSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(CC(C)C)CCC2)C1 ZINC001207933572 813673632 /nfs/dbraw/zinc/67/36/32/813673632.db2.gz DDLHAUZFRDLWFW-HZPDHXFCSA-N 1 1 292.467 3.215 20 30 CGEDMO O=C1C=C2C[N@H+](CCCC3CCCC3)CCC2S1 ZINC001208088878 813691541 /nfs/dbraw/zinc/69/15/41/813691541.db2.gz UILODIOTXFEXMG-AWEZNQCLSA-N 1 1 265.422 3.231 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC001208120858 813697580 /nfs/dbraw/zinc/69/75/80/813697580.db2.gz VKMFYILEGRWXMU-HVHJFMEUSA-N 1 1 266.429 3.100 20 30 CGEDMO CCCCCCC/C=C/C[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC001208120240 813698394 /nfs/dbraw/zinc/69/83/94/813698394.db2.gz OVIAAGVGDBZXLK-MATWNZDUSA-N 1 1 257.393 3.308 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC001208120240 813698398 /nfs/dbraw/zinc/69/83/98/813698398.db2.gz OVIAAGVGDBZXLK-MATWNZDUSA-N 1 1 257.393 3.308 20 30 CGEDMO CCCCCCC/C=C/C[N@@H+](C)CCC(=O)N(C)C ZINC001208118971 813698630 /nfs/dbraw/zinc/69/86/30/813698630.db2.gz ULSHACHLQQEFQQ-VAWYXSNFSA-N 1 1 268.445 3.313 20 30 CGEDMO C=CCOC(=O)N[C@H]1CCC[N@H+](CCC/C=C\CC)C1 ZINC001208136645 813703107 /nfs/dbraw/zinc/70/31/07/813703107.db2.gz BNTVNTYLUJESFC-YVACAVLKSA-N 1 1 280.412 3.109 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H](CO)CC[C@@H]2C)CC1 ZINC001208170043 813724563 /nfs/dbraw/zinc/72/45/63/813724563.db2.gz BZGLVMBDAIKBCE-BHYGNILZSA-N 1 1 263.425 3.382 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCCC[C@](O)(CF)C2)CC1 ZINC001208170223 813724672 /nfs/dbraw/zinc/72/46/72/813724672.db2.gz FYOPWPLSTOZJJD-SJORKVTESA-N 1 1 281.415 3.476 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)CC1 ZINC001208171496 813725853 /nfs/dbraw/zinc/72/58/53/813725853.db2.gz VAMVGUORIFCMMC-HUUCEWRRSA-N 1 1 285.378 3.239 20 30 CGEDMO C=CC[N@@H+](CC1(CN(C)C)CCCC1)C(C)(C)C ZINC001208186930 813734933 /nfs/dbraw/zinc/73/49/33/813734933.db2.gz BAWNQTVJKHVSOG-UHFFFAOYSA-N 1 1 252.446 3.395 20 30 CGEDMO C=CC[N@H+](CC1(CN(C)C)CCCC1)C(C)(C)C ZINC001208186930 813734941 /nfs/dbraw/zinc/73/49/41/813734941.db2.gz BAWNQTVJKHVSOG-UHFFFAOYSA-N 1 1 252.446 3.395 20 30 CGEDMO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C ZINC001208320870 813754200 /nfs/dbraw/zinc/75/42/00/813754200.db2.gz BKPLEMHFFLTLIQ-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCCCCC)C[C@H]1C ZINC001208318513 813754315 /nfs/dbraw/zinc/75/43/15/813754315.db2.gz ZLWRFYRMXYCXFD-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1C ZINC001208498573 813763526 /nfs/dbraw/zinc/76/35/26/813763526.db2.gz XMBUYGWZSHZHEL-KYJSFNMBSA-N 1 1 292.467 3.215 20 30 CGEDMO C[C@@]1(C#N)CCN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001208592402 813769592 /nfs/dbraw/zinc/76/95/92/813769592.db2.gz VIKMYWRPIRWDJH-OALUTQOASA-N 1 1 297.446 3.277 20 30 CGEDMO N#C[C@H]1CCCCN1C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001208587876 813769671 /nfs/dbraw/zinc/76/96/71/813769671.db2.gz BABNQGDQZKYHFH-MOPGFXCFSA-N 1 1 297.446 3.419 20 30 CGEDMO CC(C)Oc1ncccc1CC[N@H+]1CCC[C@H](C#N)CC1 ZINC001208798826 813852413 /nfs/dbraw/zinc/85/24/13/813852413.db2.gz NUPWRXGUTHDACF-HNNXBMFYSA-N 1 1 287.407 3.037 20 30 CGEDMO N#C[C@@H]1CC[N@@H+](CCCc2cccc(Br)c2)C1 ZINC001208825495 813856859 /nfs/dbraw/zinc/85/68/59/813856859.db2.gz HLNRCRVFGGNLJU-ZDUSSCGKSA-N 1 1 293.208 3.227 20 30 CGEDMO N#C[C@@H]1CC[N@H+](CCCc2cccc(Br)c2)C1 ZINC001208825495 813856865 /nfs/dbraw/zinc/85/68/65/813856865.db2.gz HLNRCRVFGGNLJU-ZDUSSCGKSA-N 1 1 293.208 3.227 20 30 CGEDMO COc1ccccc1CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001208841085 813861022 /nfs/dbraw/zinc/86/10/22/813861022.db2.gz GPRPQSPFLBVMJY-XGBSXSJOSA-N 1 1 284.403 3.394 20 30 CGEDMO N#Cc1cccc(CCC[N@@H+]2CCC(F)(F)[C@H](F)C2)c1 ZINC001208844185 813863750 /nfs/dbraw/zinc/86/37/50/813863750.db2.gz FVIUNKCXDPMRGN-CQSZACIVSA-N 1 1 282.309 3.170 20 30 CGEDMO N#Cc1cccc(CCC[N@H+]2CCC(F)(F)[C@H](F)C2)c1 ZINC001208844185 813863758 /nfs/dbraw/zinc/86/37/58/813863758.db2.gz FVIUNKCXDPMRGN-CQSZACIVSA-N 1 1 282.309 3.170 20 30 CGEDMO N#Cc1ccc(CCC[N@@H+]2CC[C@@H](C(F)(F)F)C2)cc1 ZINC001208857520 813869615 /nfs/dbraw/zinc/86/96/15/813869615.db2.gz GHOLPESQEPEMFB-CQSZACIVSA-N 1 1 282.309 3.375 20 30 CGEDMO N#Cc1ccc(CCC[N@H+]2CCC[C@@H]2c2ncccn2)cc1 ZINC001208863430 813870627 /nfs/dbraw/zinc/87/06/27/813870627.db2.gz DURNGQCQQYQBOB-QGZVFWFLSA-N 1 1 292.386 3.118 20 30 CGEDMO C[N@@H+](CCCc1ccc(C#N)cc1)CC1CC(F)(F)C1 ZINC001208862945 813872924 /nfs/dbraw/zinc/87/29/24/813872924.db2.gz UHURJUPESQGXIS-UHFFFAOYSA-N 1 1 278.346 3.468 20 30 CGEDMO C=CC[N@H+](C[C@@H]1CCN1C(=O)OC(C)(C)C)C(C)(C)C ZINC001209006188 813916066 /nfs/dbraw/zinc/91/60/66/813916066.db2.gz ZUBRIIJSXXFYAC-ZDUSSCGKSA-N 1 1 282.428 3.282 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CCC)C(C)C)C1 ZINC001209039203 813920283 /nfs/dbraw/zinc/92/02/83/813920283.db2.gz UOTGLFZTNDXMAZ-BRWVUGGUSA-N 1 1 294.483 3.461 20 30 CGEDMO CC(=O)OC(C)(C)CCC[N@H+](C)Cc1cccc(C#N)c1 ZINC001209155385 813950372 /nfs/dbraw/zinc/95/03/72/813950372.db2.gz CYQQSGYMXNWDTC-UHFFFAOYSA-N 1 1 288.391 3.112 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001209158577 813951168 /nfs/dbraw/zinc/95/11/68/813951168.db2.gz QMSTXXFXCREBGL-CQSZACIVSA-N 1 1 282.428 3.284 20 30 CGEDMO C=CCCC[N@H+]1C[C@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC001209160370 813951633 /nfs/dbraw/zinc/95/16/33/813951633.db2.gz UHLGZDDGPCKRLM-QZTJIDSGSA-N 1 1 270.420 3.159 20 30 CGEDMO C=CCCC[NH+]1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC001209160393 813952112 /nfs/dbraw/zinc/95/21/12/813952112.db2.gz WJDWZGOUUDOZFK-ROUUACIJSA-N 1 1 270.420 3.016 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](Oc2cc(F)ccc2F)C1 ZINC001209162307 813953312 /nfs/dbraw/zinc/95/33/12/813953312.db2.gz XBEJGBWTHODBCK-ZDUSSCGKSA-N 1 1 267.319 3.384 20 30 CGEDMO C=CCCCC[N@H+]1CCc2cc(C(=O)OC)ccc2C1 ZINC001209200050 813963988 /nfs/dbraw/zinc/96/39/88/813963988.db2.gz ABMCUHKDHPGSKU-UHFFFAOYSA-N 1 1 273.376 3.188 20 30 CGEDMO C=CCCCC[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC)C1 ZINC001209207769 813967808 /nfs/dbraw/zinc/96/78/08/813967808.db2.gz FYFJBMVJISPYOT-DLBZAZTESA-N 1 1 287.403 3.231 20 30 CGEDMO C#CCCC[N@H+]1CCC[C@H](Sc2ccncc2)C1 ZINC001209266378 813987902 /nfs/dbraw/zinc/98/79/02/813987902.db2.gz WHAUBTXEQGDKON-HNNXBMFYSA-N 1 1 260.406 3.052 20 30 CGEDMO C=CCCCCC[N@@H+]1CCn2c(COC)cnc2[C@H]1C ZINC001209424474 814025681 /nfs/dbraw/zinc/02/56/81/814025681.db2.gz RBXJXDITQYEXLA-CQSZACIVSA-N 1 1 277.412 3.153 20 30 CGEDMO C=CCCCCC[N@H+]1CCn2c(COC)cnc2[C@H]1C ZINC001209424474 814025684 /nfs/dbraw/zinc/02/56/84/814025684.db2.gz RBXJXDITQYEXLA-CQSZACIVSA-N 1 1 277.412 3.153 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC001209427347 814027893 /nfs/dbraw/zinc/02/78/93/814027893.db2.gz OJAQTSIUZYISHD-QGZVFWFLSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@]2(C1)CCCCN2C(C)=O ZINC001209427674 814028086 /nfs/dbraw/zinc/02/80/86/814028086.db2.gz WWUQFDLDXUFTPS-QGZVFWFLSA-N 1 1 278.440 3.210 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](CC(=O)OC)C1 ZINC001209428976 814029673 /nfs/dbraw/zinc/02/96/73/814029673.db2.gz QJMQWBHNHBQQGC-AWEZNQCLSA-N 1 1 253.386 3.008 20 30 CGEDMO C=CCCCCCCCN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001209439443 814039192 /nfs/dbraw/zinc/03/91/92/814039192.db2.gz PWXFJLASXACWLS-SFHVURJKSA-N 1 1 294.483 3.310 20 30 CGEDMO C=CCCCCCC[N@H+]1CCC[C@H](Oc2cnccn2)C1 ZINC001209441196 814040395 /nfs/dbraw/zinc/04/03/95/814040395.db2.gz VCDCIBURMWWHOQ-INIZCTEOSA-N 1 1 289.423 3.456 20 30 CGEDMO C=CCCCCCC[N@H+]1CCC[C@]2(CCC(=O)O2)C1 ZINC001209440518 814041818 /nfs/dbraw/zinc/04/18/18/814041818.db2.gz LSPWDCHHXSEXDQ-INIZCTEOSA-N 1 1 265.397 3.295 20 30 CGEDMO C=CCCCCCCCC[N@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001209443538 814043600 /nfs/dbraw/zinc/04/36/00/814043600.db2.gz UXSOZYHSOMWKDK-HUUCEWRRSA-N 1 1 257.393 3.308 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@@H](Oc3cccc(C#N)c3)C2)[nH]1 ZINC001209578207 814088713 /nfs/dbraw/zinc/08/87/13/814088713.db2.gz IEGWQOWEBYYFGH-GOSISDBHSA-N 1 1 295.386 3.238 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2c[nH]c3ncc(Cl)cc23)C1 ZINC001209599075 814097245 /nfs/dbraw/zinc/09/72/45/814097245.db2.gz IHGOOCBVTZWBNV-NSHDSACASA-N 1 1 273.767 3.062 20 30 CGEDMO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CCCCCC)C1 ZINC001209657788 814108783 /nfs/dbraw/zinc/10/87/83/814108783.db2.gz VSRVAZZNLLHSGC-GVDBMIGSSA-N 1 1 292.467 3.053 20 30 CGEDMO Cn1cc(C[N@@H+](CCC#N)C2CCCC2)c2cccnc21 ZINC001209748091 814128644 /nfs/dbraw/zinc/12/86/44/814128644.db2.gz BPPZHASPJYCYAR-UHFFFAOYSA-N 1 1 282.391 3.232 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@](C)(CC)CCC)C1 ZINC001209784790 814139852 /nfs/dbraw/zinc/13/98/52/814139852.db2.gz XFZFROMPPLXBPS-INMHGKMJSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@](C)(CC)CCC)C1 ZINC001209791936 814141535 /nfs/dbraw/zinc/14/15/35/814141535.db2.gz MECIFOYLOXASMS-BFYDXBDKSA-N 1 1 280.456 3.215 20 30 CGEDMO COc1cccc(Nc2ccc3c(c2)C[N@H+](C)CC3)c1C#N ZINC001210127585 814302652 /nfs/dbraw/zinc/30/26/52/814302652.db2.gz DABWMLBMMRVDQT-UHFFFAOYSA-N 1 1 293.370 3.298 20 30 CGEDMO C[N@H+]1CCc2ccc(NC3=CC(=O)CC(C)(C)C3)cc2C1 ZINC001210155686 814315165 /nfs/dbraw/zinc/31/51/65/814315165.db2.gz PXIQVRYZAFZJDD-UHFFFAOYSA-N 1 1 284.403 3.359 20 30 CGEDMO CCCCCCC[C@@H](C)OCC[NH+]1CCOCC1 ZINC001210206226 814339849 /nfs/dbraw/zinc/33/98/49/814339849.db2.gz AMTXSVDZZPROKJ-OAHLLOKOSA-N 1 1 257.418 3.084 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001210225303 814352673 /nfs/dbraw/zinc/35/26/73/814352673.db2.gz DSHARXYEKKJNNK-BZUAXINKSA-N 1 1 294.483 3.461 20 30 CGEDMO C[C@H]1CC(=O)C=C(c2cccc(C[NH+](C)C)c2F)C1 ZINC001242743629 823119721 /nfs/dbraw/zinc/11/97/21/823119721.db2.gz XMWIBFVILGZNEN-LLVKDONJSA-N 1 1 261.340 3.270 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N2CC[N@H+](CC)C[C@H]2C)c1 ZINC001210299193 814391861 /nfs/dbraw/zinc/39/18/61/814391861.db2.gz BLJCNVYLNSZELE-CQSZACIVSA-N 1 1 287.407 3.278 20 30 CGEDMO C=CCCCCC[N@H+]1CCN[C@H](Cc2ccccc2)C1 ZINC001210312546 814398038 /nfs/dbraw/zinc/39/80/38/814398038.db2.gz ZRINEXPILZAWTJ-GOSISDBHSA-N 1 1 272.436 3.249 20 30 CGEDMO C=CCCCCCN1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001210312546 814398044 /nfs/dbraw/zinc/39/80/44/814398044.db2.gz ZRINEXPILZAWTJ-GOSISDBHSA-N 1 1 272.436 3.249 20 30 CGEDMO COc1cc[nH+]c(Nc2cc(Cl)cc(C#N)c2)c1 ZINC001210537076 814513953 /nfs/dbraw/zinc/51/39/53/814513953.db2.gz XXIKXGDEYBSWOK-UHFFFAOYSA-N 1 1 259.696 3.359 20 30 CGEDMO Cc1[nH+]c2ccccn2c1Nc1ccc(F)cc1C#N ZINC001210550767 814521048 /nfs/dbraw/zinc/52/10/48/814521048.db2.gz LAEDPSBIGIYJTB-UHFFFAOYSA-N 1 1 266.279 3.397 20 30 CGEDMO COc1cc(Nc2ccc(F)cc2C#N)[nH+]cc1C ZINC001210552436 814522628 /nfs/dbraw/zinc/52/26/28/814522628.db2.gz ZONSYSTXPPHWGE-UHFFFAOYSA-N 1 1 257.268 3.153 20 30 CGEDMO Cc1ccc(Nc2cc[nH+]cc2C(F)(F)F)c(C#N)c1 ZINC001210565134 814530766 /nfs/dbraw/zinc/53/07/66/814530766.db2.gz JBAQVYMXTZEULM-UHFFFAOYSA-N 1 1 277.249 3.446 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCCCC)C1 ZINC001210757234 814613208 /nfs/dbraw/zinc/61/32/08/814613208.db2.gz ITNKPZJPJGFALJ-TZMCWYRMSA-N 1 1 286.847 3.146 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCCCC)C1 ZINC001210757234 814613213 /nfs/dbraw/zinc/61/32/13/814613213.db2.gz ITNKPZJPJGFALJ-TZMCWYRMSA-N 1 1 286.847 3.146 20 30 CGEDMO CCc1cc(-n2c[nH+]c3cccc(N)c32)ccc1C#N ZINC001216315286 815776841 /nfs/dbraw/zinc/77/68/41/815776841.db2.gz YNLFVJHCAIADIS-UHFFFAOYSA-N 1 1 262.316 3.042 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nnc([C@@H]2C[C@@H]2c2ccccc2)o1 ZINC001217757160 815955258 /nfs/dbraw/zinc/95/52/58/815955258.db2.gz DXHFTSHGKHPDNL-KFWWJZLASA-N 1 1 281.359 3.144 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)/C(C)=C/C)[C@@H]2C1 ZINC001221472272 816315725 /nfs/dbraw/zinc/31/57/25/816315725.db2.gz NXTAAFANPQYFTF-KZIQZQBPSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C(C)(C)C)[C@@H]2C1 ZINC001221646942 816322357 /nfs/dbraw/zinc/32/23/57/816322357.db2.gz OYPWQCUWDUCEFW-ARFHVFGLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1C[C@H]2CC[N@H+](CCCCC)C[C@H]21 ZINC001221760675 816326689 /nfs/dbraw/zinc/32/66/89/816326689.db2.gz MOSCZTZMANEPFJ-GVDBMIGSSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)CCC)[C@@H]2C1 ZINC001221900384 816335441 /nfs/dbraw/zinc/33/54/41/816335441.db2.gz FUAZKEWEYCKSJU-GVDBMIGSSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCCCC)C[C@@H]21 ZINC001222279378 816392968 /nfs/dbraw/zinc/39/29/68/816392968.db2.gz BOEVTBUYGFZLNC-SJORKVTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)CCC)C[C@@H]21 ZINC001222480383 816454606 /nfs/dbraw/zinc/45/46/06/816454606.db2.gz ZMCMYNHCAMXNSE-YUELXQCFSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)CCC)C[C@@H]21 ZINC001222480383 816454611 /nfs/dbraw/zinc/45/46/11/816454611.db2.gz ZMCMYNHCAMXNSE-YUELXQCFSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)CCCC)C[C@@H]21 ZINC001222631866 816484821 /nfs/dbraw/zinc/48/48/21/816484821.db2.gz HFFHCYKQBBUQKV-BBWFWOEESA-N 1 1 292.467 3.312 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](OCc2ccc(C(C)(C)C#N)cc2)C1 ZINC001223156645 816578636 /nfs/dbraw/zinc/57/86/36/816578636.db2.gz GALCFAIXBVGJQA-KRWDZBQOSA-N 1 1 286.419 3.487 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](CCCCC)[C@H]2C1 ZINC001223264214 816594371 /nfs/dbraw/zinc/59/43/71/816594371.db2.gz FVLQSOORNDFPQK-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C/C(C)=C\CC(=O)N1CC[C@H]2CC[N@H+](CC(=C)C)[C@H]2C1 ZINC001223291684 816599251 /nfs/dbraw/zinc/59/92/51/816599251.db2.gz IVZZXOWWWSLIPV-DUEUMOEASA-N 1 1 288.435 3.008 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]2CC[N@H+](CC[C@H](C)F)[C@H]2C1 ZINC001223406440 816624025 /nfs/dbraw/zinc/62/40/25/816624025.db2.gz XYYLJUQJJLMGFF-XHSDSOJGSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCCO[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC001224339338 816782177 /nfs/dbraw/zinc/78/21/77/816782177.db2.gz KHXIJBNTRSRZBJ-KZNAEPCWSA-N 1 1 271.404 3.490 20 30 CGEDMO C=C[C@@H](C)OC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001224829596 816891387 /nfs/dbraw/zinc/89/13/87/816891387.db2.gz LBEJCUDPJJFOHV-NVXWUHKLSA-N 1 1 259.393 3.490 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OCC1(C#N)CC1 ZINC001224952755 816917492 /nfs/dbraw/zinc/91/74/92/816917492.db2.gz NRLVKXIJBFSSBL-WBVHZDCISA-N 1 1 284.403 3.217 20 30 CGEDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(C#N)c(F)c1)C2 ZINC001225353936 817024427 /nfs/dbraw/zinc/02/44/27/817024427.db2.gz BHVYYJIWPGUHGS-FOLVSLTJSA-N 1 1 288.366 3.480 20 30 CGEDMO Cc1c(C)c(O[C@H]2CCC[N@H+](C)CC2)ccc1C#N ZINC001225512518 817079668 /nfs/dbraw/zinc/07/96/68/817079668.db2.gz ADSXTASZIPATGT-HNNXBMFYSA-N 1 1 258.365 3.038 20 30 CGEDMO Cc1cc(C#N)cc(C)c1O[C@H]1CC[N@H+](C(C)C)C1 ZINC001226525464 817386758 /nfs/dbraw/zinc/38/67/58/817386758.db2.gz CDOXCDBSSGSSBB-HNNXBMFYSA-N 1 1 258.365 3.037 20 30 CGEDMO Cc1cc(C#N)cc(Cl)c1O[C@@H]1CCC[N@H+](C)CC1 ZINC001226595984 817409746 /nfs/dbraw/zinc/40/97/46/817409746.db2.gz SZBUVDCCJQGSRB-CYBMUJFWSA-N 1 1 278.783 3.383 20 30 CGEDMO CC[N@H+]1CCC[C@H](Oc2ccc(C#N)c(Cl)c2)C1 ZINC001227208328 817592574 /nfs/dbraw/zinc/59/25/74/817592574.db2.gz HXHSDKFHSIGPOX-ZDUSSCGKSA-N 1 1 264.756 3.075 20 30 CGEDMO CC[N@H+]1CCC[C@@H](Oc2cccc(Cl)c2C#N)C1 ZINC001227787816 817720375 /nfs/dbraw/zinc/72/03/75/817720375.db2.gz LJLUVLJTOHXYBI-LLVKDONJSA-N 1 1 264.756 3.075 20 30 CGEDMO C=CC[C@H](C=C)Oc1cc2c(cc1OC)CC[NH+]=C2 ZINC001228092644 817809856 /nfs/dbraw/zinc/80/98/56/817809856.db2.gz SLZRSCXWPNYAKZ-AWEZNQCLSA-N 1 1 257.333 3.180 20 30 CGEDMO C=CCCCN(CC)C(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC001228432189 817904360 /nfs/dbraw/zinc/90/43/60/817904360.db2.gz JLTHKKYQEUAMBB-INIZCTEOSA-N 1 1 295.471 3.249 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H](C)C(C)C ZINC001231179922 818054443 /nfs/dbraw/zinc/05/44/43/818054443.db2.gz XTFNEZNQHMXRAO-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc2c(s1)CCCC2 ZINC001231582966 818127735 /nfs/dbraw/zinc/12/77/35/818127735.db2.gz FJGANRNRKHBLNI-XYYAHUGASA-N 1 1 287.432 3.288 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc2c(s1)CCCC2 ZINC001231582966 818127738 /nfs/dbraw/zinc/12/77/38/818127738.db2.gz FJGANRNRKHBLNI-XYYAHUGASA-N 1 1 287.432 3.288 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)c1 ZINC001231656742 818150990 /nfs/dbraw/zinc/15/09/90/818150990.db2.gz QEJBVGGZXWQZRH-IRXDYDNUSA-N 1 1 267.372 3.002 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)c1 ZINC001231656742 818150991 /nfs/dbraw/zinc/15/09/91/818150991.db2.gz QEJBVGGZXWQZRH-IRXDYDNUSA-N 1 1 267.372 3.002 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC001231659901 818152193 /nfs/dbraw/zinc/15/21/93/818152193.db2.gz WRQQAPUYKZOJAK-KRWDZBQOSA-N 1 1 299.414 3.222 20 30 CGEDMO C#Cc1cccc(C[N@H+](C)Cc2ccc(OC)cc2OC)c1 ZINC001231662558 818153258 /nfs/dbraw/zinc/15/32/58/818153258.db2.gz HKXGHFLBVGBRJC-UHFFFAOYSA-N 1 1 295.382 3.317 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CC[C@H](Oc3cccc(C)n3)C2)c1 ZINC001231664726 818153795 /nfs/dbraw/zinc/15/37/95/818153795.db2.gz VMCRTBIBMJDIDO-SFHVURJKSA-N 1 1 292.382 3.025 20 30 CGEDMO C#Cc1cccc(C[N@H+](C)Cc2nc3ccccc3o2)c1 ZINC001231662904 818154053 /nfs/dbraw/zinc/15/40/53/818154053.db2.gz LCQZJRUFCMOLDJ-UHFFFAOYSA-N 1 1 276.339 3.441 20 30 CGEDMO C#Cc1cccc(C[N@@H+](C)Cc2nc3ccccc3o2)c1 ZINC001231662904 818154057 /nfs/dbraw/zinc/15/40/57/818154057.db2.gz LCQZJRUFCMOLDJ-UHFFFAOYSA-N 1 1 276.339 3.441 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCc3ccc(C#N)cc3C2)c(C)n1 ZINC001232081922 818248806 /nfs/dbraw/zinc/24/88/06/818248806.db2.gz NAFUNVJBZNFCIR-UHFFFAOYSA-N 1 1 277.371 3.128 20 30 CGEDMO Cc1ccc(C[N@H+]2CCc3ccc(C#N)cc3C2)c(C)n1 ZINC001232081922 818248814 /nfs/dbraw/zinc/24/88/14/818248814.db2.gz NAFUNVJBZNFCIR-UHFFFAOYSA-N 1 1 277.371 3.128 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cnc(-c2cccnc2)o1 ZINC001232133938 818262385 /nfs/dbraw/zinc/26/23/85/818262385.db2.gz SDXXYJNZJACMJQ-UHFFFAOYSA-N 1 1 257.337 3.135 20 30 CGEDMO C=CCN(CC=C)Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232146640 818263350 /nfs/dbraw/zinc/26/33/50/818263350.db2.gz WRQDMFYQCFTRLH-UHFFFAOYSA-N 1 1 262.372 3.061 20 30 CGEDMO N#Cc1cccc(O[C@H]2CCC[N@H+](Cc3ccns3)C2)c1 ZINC001232192462 818272456 /nfs/dbraw/zinc/27/24/56/818272456.db2.gz JCKUVKZEXVIOMB-HNNXBMFYSA-N 1 1 299.399 3.058 20 30 CGEDMO N#Cc1cccc(O[C@H]2CCC[N@@H+](Cc3ccns3)C2)c1 ZINC001232192462 818272460 /nfs/dbraw/zinc/27/24/60/818272460.db2.gz JCKUVKZEXVIOMB-HNNXBMFYSA-N 1 1 299.399 3.058 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(OC)ccc2OC(C)C)C1 ZINC001232390847 818335691 /nfs/dbraw/zinc/33/56/91/818335691.db2.gz PHMVQXRGYWSVMG-OAHLLOKOSA-N 1 1 287.403 3.328 20 30 CGEDMO N#Cc1ccnc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)c1 ZINC001232480433 818363703 /nfs/dbraw/zinc/36/37/03/818363703.db2.gz WPIBCKGDIMDVDK-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1ccnc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)c1 ZINC001232480433 818363711 /nfs/dbraw/zinc/36/37/11/818363711.db2.gz WPIBCKGDIMDVDK-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1ccnc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC001232479791 818363758 /nfs/dbraw/zinc/36/37/58/818363758.db2.gz YINIWJSSJJXFBS-HOCLYGCPSA-N 1 1 255.365 3.108 20 30 CGEDMO N#Cc1ccnc(C[N@H+]2CCC[C@H]2c2cccs2)c1 ZINC001232480650 818364134 /nfs/dbraw/zinc/36/41/34/818364134.db2.gz HLNAAWQSIYFLSR-AWEZNQCLSA-N 1 1 269.373 3.352 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001232891922 818467358 /nfs/dbraw/zinc/46/73/58/818467358.db2.gz UGCXQZOODLNRIV-OAHLLOKOSA-N 1 1 295.361 3.472 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001232891922 818467363 /nfs/dbraw/zinc/46/73/63/818467363.db2.gz UGCXQZOODLNRIV-OAHLLOKOSA-N 1 1 295.361 3.472 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](Cc2ccccc2-n2cccc2)C1 ZINC001232912475 818472917 /nfs/dbraw/zinc/47/29/17/818472917.db2.gz NBJRORDGLZCZAN-QGZVFWFLSA-N 1 1 265.360 3.213 20 30 CGEDMO N#Cc1cc[nH]c1C[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC001233044437 818507517 /nfs/dbraw/zinc/50/75/17/818507517.db2.gz OKYZKTCEWOPEGB-UHFFFAOYSA-N 1 1 283.350 3.405 20 30 CGEDMO C[N@H+](CCc1ccc(Cl)cc1)Cc1[nH]ccc1C#N ZINC001233046481 818507807 /nfs/dbraw/zinc/50/78/07/818507807.db2.gz AXAFVCJPXHDHPQ-UHFFFAOYSA-N 1 1 273.767 3.214 20 30 CGEDMO C[N@@H+](CCc1ccc(Cl)cc1)Cc1[nH]ccc1C#N ZINC001233046481 818507812 /nfs/dbraw/zinc/50/78/12/818507812.db2.gz AXAFVCJPXHDHPQ-UHFFFAOYSA-N 1 1 273.767 3.214 20 30 CGEDMO CC[C@H]1c2ccccc2CC[N@H+]1Cc1[nH]ccc1C#N ZINC001233048080 818509707 /nfs/dbraw/zinc/50/97/07/818509707.db2.gz UVBJGJOMPVOWGH-KRWDZBQOSA-N 1 1 265.360 3.396 20 30 CGEDMO CC[C@H]1c2ccccc2CC[N@@H+]1Cc1[nH]ccc1C#N ZINC001233048080 818509713 /nfs/dbraw/zinc/50/97/13/818509713.db2.gz UVBJGJOMPVOWGH-KRWDZBQOSA-N 1 1 265.360 3.396 20 30 CGEDMO CO[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3C)C[C@@H]21 ZINC001233081179 818518790 /nfs/dbraw/zinc/51/87/90/818518790.db2.gz SAKSSJXNBBJCMT-FGTMMUONSA-N 1 1 284.403 3.114 20 30 CGEDMO CN(C)c1ccc(C[N@H+]2CC3CCC2CC3)c(F)c1C#N ZINC001233101758 818521433 /nfs/dbraw/zinc/52/14/33/818521433.db2.gz GVOCNCXHJSNOSB-UHFFFAOYSA-N 1 1 287.382 3.138 20 30 CGEDMO C[N@H+]1CC[C@H](Oc2cccc(-c3ccc(C#N)cc3)c2)C1 ZINC001233513586 818631052 /nfs/dbraw/zinc/63/10/52/818631052.db2.gz ZFAJNKASYXSYEY-SFHVURJKSA-N 1 1 278.355 3.308 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CCC1CCC1 ZINC001233520347 818632356 /nfs/dbraw/zinc/63/23/56/818632356.db2.gz LJMJRIHFGRAKEG-DOTOQJQBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCCCC[N@H+](C)CCCNC(=O)C=C(C)C ZINC001233545061 818637949 /nfs/dbraw/zinc/63/79/49/818637949.db2.gz QWSODNMBVSFTQQ-UHFFFAOYSA-N 1 1 266.429 3.137 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(F)=C1CCCC1 ZINC001233683485 818680590 /nfs/dbraw/zinc/68/05/90/818680590.db2.gz QJFSEUXJKSAPFV-OAHLLOKOSA-N 1 1 294.414 3.283 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)CCCNC(=O)CCC(C)C ZINC001233706515 818686208 /nfs/dbraw/zinc/68/62/08/818686208.db2.gz ZAPYRXAWMBJBST-HNNXBMFYSA-N 1 1 268.445 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)c1coc(C)c1 ZINC001233866498 818720419 /nfs/dbraw/zinc/72/04/19/818720419.db2.gz RCJWSRDMOOXIKO-XJKSGUPXSA-N 1 1 290.407 3.089 20 30 CGEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(Cl)c(C#N)c1)C2 ZINC001233920491 818730457 /nfs/dbraw/zinc/73/04/57/818730457.db2.gz HCIXIBHRLWNZHA-IMRBUKKESA-N 1 1 276.767 3.216 20 30 CGEDMO C=CC(C)(C)CC(=O)N(C)C[C@H]1CC[N@H+]1CC=C(C)C ZINC001234545960 818879644 /nfs/dbraw/zinc/87/96/44/818879644.db2.gz IZWKZTGWWOCRRV-OAHLLOKOSA-N 1 1 278.440 3.088 20 30 CGEDMO CCCCCCCCCN1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235008235 818979141 /nfs/dbraw/zinc/97/91/41/818979141.db2.gz SPCZDPZIBUEGHZ-GOSISDBHSA-N 1 1 296.499 3.439 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(CC(C)C)CC1 ZINC001235193652 819032773 /nfs/dbraw/zinc/03/27/73/819032773.db2.gz SNGOVAZMRCDHHX-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCCCCN1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235225306 819039885 /nfs/dbraw/zinc/03/98/85/819039885.db2.gz SASNPCFERUTPOA-KBPBESRZSA-N 1 1 290.373 3.207 20 30 CGEDMO Cc1cc(OC(C)C)ncc1C[NH+]1CCC(C)(C#N)CC1 ZINC001235427876 819095053 /nfs/dbraw/zinc/09/50/53/819095053.db2.gz FQYMPAIDRGYXSO-UHFFFAOYSA-N 1 1 287.407 3.303 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cc(F)c(F)c(OC)c1 ZINC001235450182 819101417 /nfs/dbraw/zinc/10/14/17/819101417.db2.gz CVYLKZXZEKBHIF-UHFFFAOYSA-N 1 1 253.292 3.147 20 30 CGEDMO N#CCc1ccccc1C[N@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001235514237 819113179 /nfs/dbraw/zinc/11/31/79/819113179.db2.gz JDTVUDKKAUNOON-WBVHZDCISA-N 1 1 254.377 3.375 20 30 CGEDMO N#CCc1ccccc1C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001235522597 819114127 /nfs/dbraw/zinc/11/41/27/819114127.db2.gz HOERAZMGVWBYOF-CYBMUJFWSA-N 1 1 268.282 3.137 20 30 CGEDMO N#CCc1ccccc1C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC001235524132 819115059 /nfs/dbraw/zinc/11/50/59/819115059.db2.gz ZNEZDCJRKIVHTM-SFHVURJKSA-N 1 1 277.371 3.137 20 30 CGEDMO C[C@H]1CCC[N@H+](Cc2c(F)cc(C#N)cc2F)[C@H]1C ZINC001235657549 819130893 /nfs/dbraw/zinc/13/08/93/819130893.db2.gz QUJSAXYCMZZDRS-QWRGUYRKSA-N 1 1 264.319 3.457 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2c(F)cc(C#N)cc2F)[C@H]1C ZINC001235657549 819130894 /nfs/dbraw/zinc/13/08/94/819130894.db2.gz QUJSAXYCMZZDRS-QWRGUYRKSA-N 1 1 264.319 3.457 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC12CC2 ZINC001235794510 819169173 /nfs/dbraw/zinc/16/91/73/819169173.db2.gz CYHFBPIKKGGVFS-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[N@H+]1CCN[C@H](c2ccc(Cl)cc2)C1 ZINC001235789740 819169397 /nfs/dbraw/zinc/16/93/97/819169397.db2.gz MTWCPLZEHZAZSS-HNNXBMFYSA-N 1 1 264.800 3.253 20 30 CGEDMO C=CCCCN1CC[NH2+][C@H](c2ccc(Cl)cc2)C1 ZINC001235789740 819169401 /nfs/dbraw/zinc/16/94/01/819169401.db2.gz MTWCPLZEHZAZSS-HNNXBMFYSA-N 1 1 264.800 3.253 20 30 CGEDMO C=CCCCCC[N@H+]1CCNC[C@H]1Cc1ccccc1 ZINC001235847693 819184408 /nfs/dbraw/zinc/18/44/08/819184408.db2.gz LPIJZKXZKSDEQR-GOSISDBHSA-N 1 1 272.436 3.249 20 30 CGEDMO C=CCCCCCN1CC[NH2+]C[C@H]1Cc1ccccc1 ZINC001235847693 819184415 /nfs/dbraw/zinc/18/44/15/819184415.db2.gz LPIJZKXZKSDEQR-GOSISDBHSA-N 1 1 272.436 3.249 20 30 CGEDMO C[C@@H](c1ccccc1)[N@@H+](CCO)Cc1cccc(C#N)c1 ZINC001236147105 819346573 /nfs/dbraw/zinc/34/65/73/819346573.db2.gz NUOAQAXMBSYACE-HNNXBMFYSA-N 1 1 280.371 3.114 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCc3c(N)cccc3C2)cc1 ZINC001236363300 819435422 /nfs/dbraw/zinc/43/54/22/819435422.db2.gz JEFXTCMNASXSNC-UHFFFAOYSA-N 1 1 294.398 3.392 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3cccc4ccoc43)CC[C@@H]2S1 ZINC001236729214 819584179 /nfs/dbraw/zinc/58/41/79/819584179.db2.gz GLSNFDUNLCEVKO-AWEZNQCLSA-N 1 1 285.368 3.207 20 30 CGEDMO O=C1C=C2C[N@@H+](Cc3cccc4ccoc43)CCC2S1 ZINC001236729214 819584183 /nfs/dbraw/zinc/58/41/83/819584183.db2.gz GLSNFDUNLCEVKO-AWEZNQCLSA-N 1 1 285.368 3.207 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3cccc4ccoc43)CCC2S1 ZINC001236729214 819584187 /nfs/dbraw/zinc/58/41/87/819584187.db2.gz GLSNFDUNLCEVKO-AWEZNQCLSA-N 1 1 285.368 3.207 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cc(F)cc(C(=O)OC)c1 ZINC001236785208 819595965 /nfs/dbraw/zinc/59/59/65/819595965.db2.gz LSLPWYGMXQHVAQ-UHFFFAOYSA-N 1 1 279.355 3.400 20 30 CGEDMO CC(C)c1ccc(C[N@H+]2CC[C@](C)(C#N)C2)c(O)c1 ZINC001237054522 819653893 /nfs/dbraw/zinc/65/38/93/819653893.db2.gz BNTNSKBLFKFKMO-MRXNPFEDSA-N 1 1 258.365 3.251 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)o2)CC1 ZINC001237368599 819736507 /nfs/dbraw/zinc/73/65/07/819736507.db2.gz KNFFNJBJMIKHPL-CQSZACIVSA-N 1 1 281.359 3.467 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)o2)CC1 ZINC001237368593 819736605 /nfs/dbraw/zinc/73/66/05/819736605.db2.gz KNFFNJBJMIKHPL-AWEZNQCLSA-N 1 1 281.359 3.467 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@H](C#N)CC2)c2cc(C#N)ccc21 ZINC001237471689 819758897 /nfs/dbraw/zinc/75/88/97/819758897.db2.gz XTRVEAWPDZSMMJ-AWEZNQCLSA-N 1 1 292.386 3.176 20 30 CGEDMO CCCO[C@@H]1CC[N@@H+](Cc2cn(C)c3ccc(C#N)cc23)C1 ZINC001237470388 819759206 /nfs/dbraw/zinc/75/92/06/819759206.db2.gz IRSDKTNRPFHAFT-MRXNPFEDSA-N 1 1 297.402 3.051 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]2c2ccccc2F)ccn1 ZINC001237470652 819759614 /nfs/dbraw/zinc/75/96/14/819759614.db2.gz UIPZTSYWMXFKRZ-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H]2c2ccccc2F)ccn1 ZINC001237470652 819759617 /nfs/dbraw/zinc/75/96/17/819759617.db2.gz UIPZTSYWMXFKRZ-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO C=CC[N@H+](Cc1cccc(CC(=O)OC)c1)C(C)(C)C ZINC001237490810 819764431 /nfs/dbraw/zinc/76/44/31/819764431.db2.gz SURUJOBEAIERBW-UHFFFAOYSA-N 1 1 275.392 3.189 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1cc(C#N)c(F)cc1F ZINC001237526528 819772017 /nfs/dbraw/zinc/77/20/17/819772017.db2.gz CBJVZLJMJYLDBU-UHFFFAOYSA-N 1 1 250.292 3.234 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(C#N)c(F)cc1F ZINC001237526528 819772020 /nfs/dbraw/zinc/77/20/20/819772020.db2.gz CBJVZLJMJYLDBU-UHFFFAOYSA-N 1 1 250.292 3.234 20 30 CGEDMO Cc1cccc(C[N@H+](C)Cc2cn3cc(C#N)ccc3n2)c1 ZINC001237609795 819785694 /nfs/dbraw/zinc/78/56/94/819785694.db2.gz XJVXZADWZAPQRO-UHFFFAOYSA-N 1 1 290.370 3.146 20 30 CGEDMO Cc1cccc(C[N@@H+](C)Cc2cn3cc(C#N)ccc3n2)c1 ZINC001237609795 819785700 /nfs/dbraw/zinc/78/57/00/819785700.db2.gz XJVXZADWZAPQRO-UHFFFAOYSA-N 1 1 290.370 3.146 20 30 CGEDMO C=CC[NH+]1CCN(Cc2cc(C)cc(C)c2Cl)CC1 ZINC001237703664 819812583 /nfs/dbraw/zinc/81/25/83/819812583.db2.gz DQHLEPUPVJRANL-UHFFFAOYSA-N 1 1 278.827 3.260 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cccc(N3CCCCC3)n2)C1 ZINC001238012188 819912244 /nfs/dbraw/zinc/91/22/44/819912244.db2.gz YLUSTIYKZRSAEW-INIZCTEOSA-N 1 1 298.434 3.198 20 30 CGEDMO CC[N@H+](Cc1ccc(C#N)cc1Cl)C1CCN(C)CC1 ZINC001238086119 819928460 /nfs/dbraw/zinc/92/84/60/819928460.db2.gz VIGXZIGLTLYFKN-UHFFFAOYSA-N 1 1 291.826 3.128 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)cc1Cl)C1CCN(C)CC1 ZINC001238086119 819928466 /nfs/dbraw/zinc/92/84/66/819928466.db2.gz VIGXZIGLTLYFKN-UHFFFAOYSA-N 1 1 291.826 3.128 20 30 CGEDMO N#Cc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)ccc1Cl ZINC001238188842 819950675 /nfs/dbraw/zinc/95/06/75/819950675.db2.gz IZBLHNTZXSXJJY-BETUJISGSA-N 1 1 260.768 3.444 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)c(O)c1F)C(C)(C)C ZINC001238363136 819980948 /nfs/dbraw/zinc/98/09/48/819980948.db2.gz CUQKIDGHERHORU-UHFFFAOYSA-N 1 1 267.344 3.326 20 30 CGEDMO Cc1cnc(C[N@@H+](C)Cc2ccc(C#N)cc2)c(C)c1 ZINC001238431793 819998496 /nfs/dbraw/zinc/99/84/96/819998496.db2.gz ZPYYMGDAOQNFFN-UHFFFAOYSA-N 1 1 265.360 3.202 20 30 CGEDMO C=CC[N@H+](C)Cc1cc(OC)ncc1-c1ccccc1 ZINC001238603827 820058433 /nfs/dbraw/zinc/05/84/33/820058433.db2.gz MYMTVQRETPPSHK-UHFFFAOYSA-N 1 1 268.360 3.375 20 30 CGEDMO CCc1cc(C[N@H+]2CC[C@]3(C2)CCCCO3)ccc1C#N ZINC001238761588 820111771 /nfs/dbraw/zinc/11/17/71/820111771.db2.gz VELMJZKUVZRQBQ-SFHVURJKSA-N 1 1 284.403 3.266 20 30 CGEDMO CCc1cc(C[N@@H+](C)C2CC(F)(F)C2)ccc1C#N ZINC001238767118 820112359 /nfs/dbraw/zinc/11/23/59/820112359.db2.gz SISHWPHAQOWRRK-UHFFFAOYSA-N 1 1 264.319 3.350 20 30 CGEDMO CO/N=C/c1cc(-c2c[nH+]c(N(C)C)cc2C)ccc1F ZINC001241252762 821675136 /nfs/dbraw/zinc/67/51/36/821675136.db2.gz ZVBIRAVOURRIMU-DJKKODMXSA-N 1 1 287.338 3.242 20 30 CGEDMO C=CCn1cnn(C[N@@H+]2C[C@@H](C)CCC[C@H]2C)c1=S ZINC001339479478 936374415 /nfs/dbraw/zinc/37/44/15/936374415.db2.gz INKYMKNXFXDKPR-QWHCGFSZSA-N 1 1 280.441 3.068 20 30 CGEDMO C=CCn1cnn(C[N@H+]2C[C@@H](C)CCC[C@H]2C)c1=S ZINC001339479478 936374418 /nfs/dbraw/zinc/37/44/18/936374418.db2.gz INKYMKNXFXDKPR-QWHCGFSZSA-N 1 1 280.441 3.068 20 30 CGEDMO CC[N@@H+](CCCSCC#N)Cc1ccccc1F ZINC001339742190 936383675 /nfs/dbraw/zinc/38/36/75/936383675.db2.gz NUAPORNOBYMPRW-UHFFFAOYSA-N 1 1 266.385 3.294 20 30 CGEDMO C[C@H]1COC(C)(C)C[N@H+]1CCCCC1(C#N)CCC1 ZINC001341360146 936435639 /nfs/dbraw/zinc/43/56/39/936435639.db2.gz NNJXOUKOROWMAJ-AWEZNQCLSA-N 1 1 264.413 3.350 20 30 CGEDMO C=C[C@H](COC)[NH2+]Cc1ccc(CSC(F)F)o1 ZINC001342727148 936477025 /nfs/dbraw/zinc/47/70/25/936477025.db2.gz HXSBQMQVZVWFSU-SECBINFHSA-N 1 1 277.336 3.026 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCCC3)C1 ZINC001343800238 936514129 /nfs/dbraw/zinc/51/41/29/936514129.db2.gz NTFBVQMPJPGRTH-SFHVURJKSA-N 1 1 271.404 3.342 20 30 CGEDMO CCCC[N@@H+](C)C[C@H](C)NC1CC(C#N)(c2ccccc2)C1 ZINC001347225308 936874479 /nfs/dbraw/zinc/87/44/79/936874479.db2.gz UVTCUWUHIWGGCU-IVMQYODDSA-N 1 1 299.462 3.320 20 30 CGEDMO CCCCN(C)C[C@H](C)[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001347225308 936874482 /nfs/dbraw/zinc/87/44/82/936874482.db2.gz UVTCUWUHIWGGCU-IVMQYODDSA-N 1 1 299.462 3.320 20 30 CGEDMO Cc1ccc(C[N@H+](Cc2ccccc2)[C@H](C)CO)cc1C#N ZINC001348136092 936912094 /nfs/dbraw/zinc/91/20/94/936912094.db2.gz LUOFXXUEFWAJKK-MRXNPFEDSA-N 1 1 294.398 3.250 20 30 CGEDMO C#CC[N@@H+](Cc1coc(-c2ccccc2OC)n1)CC1CC1 ZINC001349647459 936955680 /nfs/dbraw/zinc/95/56/80/936955680.db2.gz VKMLNNXNFQMSTB-UHFFFAOYSA-N 1 1 296.370 3.195 20 30 CGEDMO C#CC[N@H+](Cc1coc(-c2ccccc2OC)n1)CC1CC1 ZINC001349647459 936955682 /nfs/dbraw/zinc/95/56/82/936955682.db2.gz VKMLNNXNFQMSTB-UHFFFAOYSA-N 1 1 296.370 3.195 20 30 CGEDMO N#CC1(C[NH+]2CCC(c3cccc(F)c3)CC2)CC1 ZINC001349659249 936956585 /nfs/dbraw/zinc/95/65/85/936956585.db2.gz UVEIVPBWQZBWGY-UHFFFAOYSA-N 1 1 258.340 3.309 20 30 CGEDMO CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](CC)CCC)C1 ZINC001480083717 937019830 /nfs/dbraw/zinc/01/98/30/937019830.db2.gz CYCOLGHLUZYHIK-SJORKVTESA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(Br)C[NH2+]Cc1ccc(CC(C)C)nc1 ZINC001351987168 937030720 /nfs/dbraw/zinc/03/07/20/937030720.db2.gz LVHPTDUWUWNLQC-UHFFFAOYSA-N 1 1 283.213 3.278 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[N@H+](C)CC[C@@H]1CCC[C@H](C)C1 ZINC001480898676 926761502 /nfs/dbraw/zinc/76/15/02/926761502.db2.gz ATPJGZFWYHPFCN-HOTGVXAUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H]1C=CCCC1 ZINC001481044648 926872187 /nfs/dbraw/zinc/87/21/87/926872187.db2.gz CEZDTQSNRCCGAE-CABCVRRESA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C[C@@H]1C=CCCC1 ZINC001481044648 926872199 /nfs/dbraw/zinc/87/21/99/926872199.db2.gz CEZDTQSNRCCGAE-CABCVRRESA-N 1 1 296.842 3.066 20 30 CGEDMO C=C1CCC(C(=O)NCC[N@H+](C[C@H](C)CC)C2CC2)CC1 ZINC001481185309 926903716 /nfs/dbraw/zinc/90/37/16/926903716.db2.gz ZOAOXKCVJLGBRR-CQSZACIVSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+](CCCNC(=O)C1=CCCC1)C(C)C ZINC001481348760 926962396 /nfs/dbraw/zinc/96/23/96/926962396.db2.gz LKKXIFQLPZIUJH-UHFFFAOYSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)[C@@]1(C)C=CCC1)C(C)C ZINC001481354088 926964695 /nfs/dbraw/zinc/96/46/95/926964695.db2.gz WWPQAVBHTMFXRJ-KRWDZBQOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](CCNC(=O)C(C)(C)CC(C)(C)C)C1 ZINC001481461640 926992049 /nfs/dbraw/zinc/99/20/49/926992049.db2.gz GDVSJFPGLLBERW-OAHLLOKOSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)CCCC)C1 ZINC001481483612 927000258 /nfs/dbraw/zinc/00/02/58/927000258.db2.gz DLCHSCLUVHZHEB-HZPDHXFCSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)CCCC)C1 ZINC001481483610 927000423 /nfs/dbraw/zinc/00/04/23/927000423.db2.gz DLCHSCLUVHZHEB-CVEARBPZSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[C@H](C[N@H+](C)CC(C)C)C1 ZINC001481485074 927000732 /nfs/dbraw/zinc/00/07/32/927000732.db2.gz DWQBMYOLMGIEOO-MRXNPFEDSA-N 1 1 292.467 3.191 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H](C[N@H+](C)CC/C=C\CC)C1 ZINC001481487502 927001910 /nfs/dbraw/zinc/00/19/10/927001910.db2.gz DLVNYNAZIKPGTJ-JTGQJZMRSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@H](C[N@@H+](C)CC=C(C)C)C1 ZINC001481485953 927002304 /nfs/dbraw/zinc/00/23/04/927002304.db2.gz MQWMWMAFZZXPIW-MRXNPFEDSA-N 1 1 292.467 3.335 20 30 CGEDMO C#CC[N@H+](C)C[C@H]1CCN(C(=O)C[C@@H](CC)CCCC)C1 ZINC001481493129 927004947 /nfs/dbraw/zinc/00/49/47/927004947.db2.gz SRXKOHPXSOVWCU-DLBZAZTESA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001481524301 927014484 /nfs/dbraw/zinc/01/44/84/927014484.db2.gz HUVKOJYYRSTBCJ-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC1C[NH+](CCC2=CCCCC2)C1 ZINC001481574613 927027790 /nfs/dbraw/zinc/02/77/90/927027790.db2.gz WPPSBQUYCCJKFZ-UHFFFAOYSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CCNC(=O)C1(F)CCCC1)C1CC1 ZINC001493383913 927046164 /nfs/dbraw/zinc/04/61/64/927046164.db2.gz BZVBBNIKKPZOFT-CQSZACIVSA-N 1 1 296.430 3.204 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)CC(C)(C)C2CC2)C1 ZINC001481688752 927055552 /nfs/dbraw/zinc/05/55/52/927055552.db2.gz NKONOHCFCXVQFT-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@H+](CC(CC)CC)C1 ZINC001481693005 927060847 /nfs/dbraw/zinc/06/08/47/927060847.db2.gz QWBBVWNHCRZXEC-DOTOQJQBSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC(=O)N(C)[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001481722613 927075542 /nfs/dbraw/zinc/07/55/42/927075542.db2.gz XMXFWYSWXJGZIO-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)C2CC(C)(C)C2)C1 ZINC001481724245 927075620 /nfs/dbraw/zinc/07/56/20/927075620.db2.gz IVXWDDVEVJVPAE-ZBFHGGJFSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)C2=CCCC2)C1 ZINC001481763982 927083845 /nfs/dbraw/zinc/08/38/45/927083845.db2.gz JIRHGBMMHJEOCJ-NVXWUHKLSA-N 1 1 290.451 3.374 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)c1ccc(C)cc1 ZINC001496826146 927407504 /nfs/dbraw/zinc/40/75/04/927407504.db2.gz XIBGRJYNIHBJBD-MRXNPFEDSA-N 1 1 288.435 3.354 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)C(C)(C)C ZINC001483353244 927487259 /nfs/dbraw/zinc/48/72/59/927487259.db2.gz KPVFNWJVQLCKAD-ZIAGYGMSSA-N 1 1 268.445 3.071 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)C1(C2CCCCC2)CC1 ZINC001483412569 927498929 /nfs/dbraw/zinc/49/89/29/927498929.db2.gz XIBZOCCPPVXWDC-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]1CNC(=O)c1ccoc1C ZINC001483632417 927553307 /nfs/dbraw/zinc/55/33/07/927553307.db2.gz ZXOUINNZZQPYHG-OAHLLOKOSA-N 1 1 292.423 3.363 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CC[N@@H+]1Cc1cc2ccccc2o1 ZINC001483635094 927554155 /nfs/dbraw/zinc/55/41/55/927554155.db2.gz AAICPRUDRIFYOE-OAHLLOKOSA-N 1 1 298.386 3.090 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CC[N@H+]1Cc1cc2ccccc2o1 ZINC001483635094 927554170 /nfs/dbraw/zinc/55/41/70/927554170.db2.gz AAICPRUDRIFYOE-OAHLLOKOSA-N 1 1 298.386 3.090 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H]2CC[N@@H+]2CCCCCC)C1 ZINC001483678511 927568380 /nfs/dbraw/zinc/56/83/80/927568380.db2.gz ATHHHWUMKYULBB-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO Cc1c[nH+]c(NCCCCC#N)c([Si](C)(C)C)c1 ZINC001168427898 927572939 /nfs/dbraw/zinc/57/29/39/927572939.db2.gz UEFMCCBJGXJUHS-UHFFFAOYSA-N 1 1 261.445 3.041 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)C1CCC=CCC1 ZINC001483703169 927579794 /nfs/dbraw/zinc/57/97/94/927579794.db2.gz VKHIWCLIVAUHJC-NVXWUHKLSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC[N@H+](CCNC(=O)C=C(C)C)C1CCCCCC1 ZINC001483812617 927627255 /nfs/dbraw/zinc/62/72/55/927627255.db2.gz OMGNIHGIVFZDRT-UHFFFAOYSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCC[N@@H+](CC1CC1)C1CCN(C(=O)C=C(C)C)CC1 ZINC001483815167 927628689 /nfs/dbraw/zinc/62/86/89/927628689.db2.gz MSEDABRGTHZQEM-UHFFFAOYSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)CCCC(C)C)C2)C1 ZINC001483846892 927634603 /nfs/dbraw/zinc/63/46/03/927634603.db2.gz DCZBOPGXBQLGLO-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](CC)CCC)C2)C1 ZINC001483846658 927635099 /nfs/dbraw/zinc/63/50/99/927635099.db2.gz IPPJVEHXYQQSMA-SJLPKXTDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@](C)(NC(=O)C2(F)CCCC2)C1 ZINC001484050621 927667437 /nfs/dbraw/zinc/66/74/37/927667437.db2.gz IEUDZQCIOSLACT-HOCLYGCPSA-N 1 1 296.430 3.204 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@](C)(NC(=O)C2CC3(CC3)C2)C1 ZINC001484058155 927669036 /nfs/dbraw/zinc/66/90/36/927669036.db2.gz PVZUZWBTHGGWET-YOEHRIQHSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)C[C@H](CC)C(C)C)C1 ZINC001484067329 927669759 /nfs/dbraw/zinc/66/97/59/927669759.db2.gz IVUUCCTZHAIQQB-RDJZCZTQSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)C2CC3(CCC3)C2)C1 ZINC001484055661 927670248 /nfs/dbraw/zinc/67/02/48/927670248.db2.gz CBQUAQSBGMDTKA-QGZVFWFLSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](C/C=C\Cl)C2 ZINC001484317640 927691388 /nfs/dbraw/zinc/69/13/88/927691388.db2.gz HULVGYWBIOEREE-MLRXNPTLSA-N 1 1 296.842 3.064 20 30 CGEDMO CC#CCCCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCC ZINC001484463573 927710176 /nfs/dbraw/zinc/71/01/76/927710176.db2.gz QOTKGLAHNROKIK-SJORKVTESA-N 1 1 290.451 3.045 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H]2CCCN(C(=O)CCC)[C@@H]2C1 ZINC001484467736 927710558 /nfs/dbraw/zinc/71/05/58/927710558.db2.gz OEOODNFPFMZCLA-DLBZAZTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)/C(C)=C/CC)CC1 ZINC001484708246 927741543 /nfs/dbraw/zinc/74/15/43/927741543.db2.gz OHTPBDOTSCUCOQ-NHKNYXOTSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CCC[N@H+](CCCC=C)CC1 ZINC001484724221 927742512 /nfs/dbraw/zinc/74/25/12/927742512.db2.gz VNIJZSHVIOBOLT-MRXNPFEDSA-N 1 1 278.440 3.280 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+](CC)C2)C1 ZINC001484770570 927754660 /nfs/dbraw/zinc/75/46/60/927754660.db2.gz GWJRDWYCXCKZMK-SJORKVTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)C2CC2)C(C)(C)C1 ZINC001484943410 927773864 /nfs/dbraw/zinc/77/38/64/927773864.db2.gz NNGOIMMWMKHOJP-GOEBONIOSA-N 1 1 292.467 3.215 20 30 CGEDMO CC#CCCCC(=O)N[C@H]1CC[N@H+](CCCC)CC1(C)C ZINC001484938253 927774760 /nfs/dbraw/zinc/77/47/60/927774760.db2.gz XQVFVIDGFLAFNG-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC1CC(C)(C)C1 ZINC001485483504 927871505 /nfs/dbraw/zinc/87/15/05/927871505.db2.gz ZMBRLVPCRUZBQM-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)CCCC#CC ZINC001485483037 927872408 /nfs/dbraw/zinc/87/24/08/927872408.db2.gz UKDOLVJLHZKLSE-KRWDZBQOSA-N 1 1 290.451 3.117 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1CCCCC[N@@H+]1CC(C)C ZINC001485476225 927877149 /nfs/dbraw/zinc/87/71/49/927877149.db2.gz KFGRCPPXHOPCIC-INIZCTEOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1CCCCC[N@H+]1CC(=C)C ZINC001485477881 927877355 /nfs/dbraw/zinc/87/73/55/927877355.db2.gz ZPMMXITUVCBONN-INIZCTEOSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CC[N@H+]1CCCCC[C@H]1CNC(=O)C[C@@H]1CC=CCC1 ZINC001485480910 927880203 /nfs/dbraw/zinc/88/02/03/927880203.db2.gz SZJDWSCXYDXOBW-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)C(C)(C)C2CC2)C(C)(C)C1 ZINC001485574333 927892556 /nfs/dbraw/zinc/89/25/56/927892556.db2.gz QJPLAEJCTOUXOU-HNNXBMFYSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CCC(=O)N1CC2(C1)CCC[N@H+](CCC(C)C)C2 ZINC001485662047 927898022 /nfs/dbraw/zinc/89/80/22/927898022.db2.gz DDLRZNHADZZBFS-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C(C)C)C[C@H]2C1 ZINC001485659102 927899100 /nfs/dbraw/zinc/89/91/00/927899100.db2.gz YJYQANQREXRNMN-BZUAXINKSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)[C@H](CCC)C(C)C)CC1 ZINC001485764475 927919107 /nfs/dbraw/zinc/91/91/07/927919107.db2.gz RXLCMXYFZSGGAZ-MRXNPFEDSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)Cc1ccsc1)C(C)C ZINC001486360621 928006058 /nfs/dbraw/zinc/00/60/58/928006058.db2.gz DVQAOMRVWQNCRM-UHFFFAOYSA-N 1 1 294.464 3.036 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C(=O)/C=C(/C)CC)C(C)C ZINC001486367873 928008825 /nfs/dbraw/zinc/00/88/25/928008825.db2.gz FJKCTQFVGSEQLP-SSZFMOIBSA-N 1 1 280.456 3.478 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)[C@H](C)C1CCC1)C(C)C ZINC001486370490 928009738 /nfs/dbraw/zinc/00/97/38/928009738.db2.gz XVDHBKJJLQYETF-OAHLLOKOSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C(=O)[C@@H]1CC1(C)C)C(C)C ZINC001486366657 928011054 /nfs/dbraw/zinc/01/10/54/928011054.db2.gz WAHZBZCEHSRMAY-HNNXBMFYSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1C[C@@H](O)Cc1ccccc1 ZINC001560200483 937212027 /nfs/dbraw/zinc/21/20/27/937212027.db2.gz YJVKFDOLGRHPRI-SJORKVTESA-N 1 1 259.393 3.021 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CC)CCCC ZINC001230845022 928073241 /nfs/dbraw/zinc/07/32/41/928073241.db2.gz UXXXYRCLQIPGIR-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO N#Cc1ccc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000157947967 928258343 /nfs/dbraw/zinc/25/83/43/928258343.db2.gz YQKHCXDLOLUBRW-CHWSQXEVSA-N 1 1 275.783 3.250 20 30 CGEDMO C=C[C@H](CC)CC(=O)N(CC)[C@@H]1CC[N@H+](C/C=C/Cl)C1 ZINC001494911418 928276919 /nfs/dbraw/zinc/27/69/19/928276919.db2.gz UNKBZSIUZMIWNC-VIGJRRFGSA-N 1 1 298.858 3.264 20 30 CGEDMO C=C[C@H](CC)CC(=O)N(CC)[C@@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC001494911418 928276934 /nfs/dbraw/zinc/27/69/34/928276934.db2.gz UNKBZSIUZMIWNC-VIGJRRFGSA-N 1 1 298.858 3.264 20 30 CGEDMO COc1ccc(C#N)cc1Nc1cc[nH+]cc1C(F)(F)F ZINC001201575688 928281574 /nfs/dbraw/zinc/28/15/74/928281574.db2.gz VWYMIWXEPDQSAH-UHFFFAOYSA-N 1 1 293.248 3.146 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@](C)(C=C)CC ZINC001488653398 928287322 /nfs/dbraw/zinc/28/73/22/928287322.db2.gz IVIZJINKZVALRF-RDJZCZTQSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H](C)CCC=C(C)C ZINC001488663267 928293917 /nfs/dbraw/zinc/29/39/17/928293917.db2.gz NQGDVAAEHVVOTD-IRXDYDNUSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@]1(C)CC=C(C)CC1 ZINC001488693061 928293991 /nfs/dbraw/zinc/29/39/91/928293991.db2.gz ORSMXOJPBPZIOR-AEFFLSMTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C1CC(C)(C(=O)N(C)C[C@H]2CC[N@H+]2CC2CCCC2)C1 ZINC001488661290 928294076 /nfs/dbraw/zinc/29/40/76/928294076.db2.gz YROUBJRZHWVMIU-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)C[C@@H](F)CC)C1 ZINC001480734997 937236038 /nfs/dbraw/zinc/23/60/38/937236038.db2.gz AQDGNAUZJGQZDI-LSDHHAIUSA-N 1 1 298.446 3.260 20 30 CGEDMO C#CCCCC(=O)N[C@H]1CC[N@H+](CC/C=C/CCC)[C@@H]1C ZINC001489260474 928319948 /nfs/dbraw/zinc/31/99/48/928319948.db2.gz FUFASDHVFQHFJK-LJFOUZCWSA-N 1 1 290.451 3.115 20 30 CGEDMO C#CCCCC(=O)N1CCC[C@@H]([N@H+](C)CC(CC)CC)C1 ZINC001480726067 937236443 /nfs/dbraw/zinc/23/64/43/937236443.db2.gz VCPBZFCPXHKYEW-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO CC(C)C#CC(=O)N[C@H]1CC[N@@H+](CCCC(C)(C)C)[C@@H]1C ZINC001489263927 928321487 /nfs/dbraw/zinc/32/14/87/928321487.db2.gz WGIDEFQRGCBDFI-CVEARBPZSA-N 1 1 292.467 3.051 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)CCCCC)CC(C)(C)C1 ZINC001489340816 928330428 /nfs/dbraw/zinc/33/04/28/928330428.db2.gz UAXHGNUJBJHWTK-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO CC#CC[N@H+](C)CCCNC(=O)[C@H](CC)CC1CCCC1 ZINC001490255408 928337689 /nfs/dbraw/zinc/33/76/89/928337689.db2.gz BOGNEBUKICTIEX-QGZVFWFLSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCC[N@@H+](CC)CCCNC(=O)C1C[C@H](C)C[C@@H](C)C1 ZINC001490360193 928353823 /nfs/dbraw/zinc/35/38/23/928353823.db2.gz SAVQDYVZCGBQRW-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO CC#CC[N@@H+](CC)CCCNC(=O)C[C@@H]1CCCC[C@H]1C ZINC001490360895 928354251 /nfs/dbraw/zinc/35/42/51/928354251.db2.gz XDKQDMXRYGNFLQ-SJORKVTESA-N 1 1 292.467 3.054 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)C(C)(C)C(C)(F)F ZINC001490356416 928355259 /nfs/dbraw/zinc/35/52/59/928355259.db2.gz GZSIUYXCSFQMIL-UHFFFAOYSA-N 1 1 290.398 3.072 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@H](C)CC)C1 ZINC001490758669 928388882 /nfs/dbraw/zinc/38/88/82/928388882.db2.gz GPBXWOAPWTVKCW-CVEARBPZSA-N 1 1 280.456 3.169 20 30 CGEDMO COc1cccc(C[N@H+]2CCC[C@H](CC#N)C2)c1C ZINC000930921603 928628009 /nfs/dbraw/zinc/62/80/09/928628009.db2.gz FQMBJEDJSZGOFT-CQSZACIVSA-N 1 1 258.365 3.129 20 30 CGEDMO N#C[C@H]1CC=C(Nc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC001212861438 928650436 /nfs/dbraw/zinc/65/04/36/928650436.db2.gz SVLISSLICPCOEH-HNNXBMFYSA-N 1 1 297.402 3.138 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](C[C@H](C)c2ccc(OC)cc2)C1 ZINC001327498202 928670144 /nfs/dbraw/zinc/67/01/44/928670144.db2.gz DRQKXOWHUFTMBJ-YOEHRIQHSA-N 1 1 275.392 3.076 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCCC[C@@H]1CC1CCC1 ZINC001307949929 928810116 /nfs/dbraw/zinc/81/01/16/928810116.db2.gz OILSKQDGNVSNBK-HZPDHXFCSA-N 1 1 251.414 3.358 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCC=C)C1 ZINC001490986649 928823830 /nfs/dbraw/zinc/82/38/30/928823830.db2.gz RGBORIXLCAKDLB-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1CCC[N@@H+](C/C=C/Cl)C1 ZINC001491118010 928833067 /nfs/dbraw/zinc/83/30/67/928833067.db2.gz WHXYCJLCEHZWAC-IZPAUZPXSA-N 1 1 298.858 3.169 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)C(CC)(CC)CC)C1 ZINC001491126781 928833273 /nfs/dbraw/zinc/83/32/73/928833273.db2.gz SUBMPIMUNJHODU-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](C/C=C/Cl)C1 ZINC001491118012 928833566 /nfs/dbraw/zinc/83/35/66/928833566.db2.gz WHXYCJLCEHZWAC-OWNNVSBGSA-N 1 1 298.858 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)CCCC ZINC001491206014 928845390 /nfs/dbraw/zinc/84/53/90/928845390.db2.gz HWZBVUOEMOYPFV-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C1CCC(C(=O)NCC[N@H+](C)C2CCCCC2)CC1 ZINC001442341178 937342262 /nfs/dbraw/zinc/34/22/62/937342262.db2.gz VZLPQOZWJWSJQK-UHFFFAOYSA-N 1 1 278.440 3.114 20 30 CGEDMO Cc1cc(NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)ncc1C#N ZINC001458108496 937451463 /nfs/dbraw/zinc/45/14/63/937451463.db2.gz MFRBMZAWFQQWMX-OKILXGFUSA-N 1 1 286.423 3.042 20 30 CGEDMO C=CCC[C@@H]1CCCN1c1[nH+]cnc2[nH]cc(CC)c21 ZINC001458669571 937471271 /nfs/dbraw/zinc/47/12/71/937471271.db2.gz AZSDGYNZUMVGOA-CYBMUJFWSA-N 1 1 270.380 3.455 20 30 CGEDMO C#CCOCC[N@@H+]1CCC[C@H]1[C@@H](CC)c1ccccc1 ZINC001459662862 937495021 /nfs/dbraw/zinc/49/50/21/937495021.db2.gz QFFVPOOQEFLJEK-ROUUACIJSA-N 1 1 271.404 3.294 20 30 CGEDMO C#CC[N@@H+](CC#CC)CCc1ccc2ccccc2c1 ZINC001459578906 937492323 /nfs/dbraw/zinc/49/23/23/937492323.db2.gz PQHWRFOCTIIYAO-UHFFFAOYSA-N 1 1 261.368 3.341 20 30 CGEDMO CC(C)[C@H]1CCCCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC001459830948 937502684 /nfs/dbraw/zinc/50/26/84/937502684.db2.gz NXMJZSYLELCCTO-MSOLQXFVSA-N 1 1 286.419 3.492 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)Cc1cc(Cl)cc(C#N)c1 ZINC001460029738 937511724 /nfs/dbraw/zinc/51/17/24/937511724.db2.gz BGPUTJMQPZYSMO-UHFFFAOYSA-N 1 1 291.826 3.151 20 30 CGEDMO C=CCN(C)CC[N@@H+](CC)Cc1cc(Cl)cc(C#N)c1 ZINC001460029738 937511726 /nfs/dbraw/zinc/51/17/26/937511726.db2.gz BGPUTJMQPZYSMO-UHFFFAOYSA-N 1 1 291.826 3.151 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)Cc1cc(Cl)cc(C#N)c1 ZINC001460029738 937511729 /nfs/dbraw/zinc/51/17/29/937511729.db2.gz BGPUTJMQPZYSMO-UHFFFAOYSA-N 1 1 291.826 3.151 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCC[C@H]1COC(=O)NCC ZINC001460089233 937515705 /nfs/dbraw/zinc/51/57/05/937515705.db2.gz HJAJJIWGFHUPSB-HNNXBMFYSA-N 1 1 282.428 3.333 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC001460365363 937529247 /nfs/dbraw/zinc/52/92/47/937529247.db2.gz BCXYUMBDGZBDPS-GOSISDBHSA-N 1 1 272.436 3.201 20 30 CGEDMO C=C(C)CCN1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC001460365363 937529249 /nfs/dbraw/zinc/52/92/49/937529249.db2.gz BCXYUMBDGZBDPS-GOSISDBHSA-N 1 1 272.436 3.201 20 30 CGEDMO C=C(C)CCN1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC001460365363 937529251 /nfs/dbraw/zinc/52/92/51/937529251.db2.gz BCXYUMBDGZBDPS-GOSISDBHSA-N 1 1 272.436 3.201 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@]1(C)Cc1ccc(F)c(F)c1 ZINC001460645880 937537975 /nfs/dbraw/zinc/53/79/75/937537975.db2.gz NRZZLDXGFVFSRQ-INIZCTEOSA-N 1 1 263.331 3.385 20 30 CGEDMO CCCC1(CCC)CCC[N@H+]1CCC(=O)N(C)CCC#N ZINC001460723091 937541949 /nfs/dbraw/zinc/54/19/49/937541949.db2.gz WIVHHLOXLZSOLW-UHFFFAOYSA-N 1 1 293.455 3.183 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](C)[C@H](CC(=O)OC)C1 ZINC001460789866 937545309 /nfs/dbraw/zinc/54/53/09/937545309.db2.gz ZTCNEUWJOVOPGO-ZIAGYGMSSA-N 1 1 255.402 3.088 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001460885219 937550500 /nfs/dbraw/zinc/55/05/00/937550500.db2.gz BGHYWOSSOUMBPZ-HOCLYGCPSA-N 1 1 290.363 3.059 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(F)cc1F ZINC001460888106 937550957 /nfs/dbraw/zinc/55/09/57/937550957.db2.gz ZWESUPOLMIUGDZ-ZDUSSCGKSA-N 1 1 294.345 3.334 20 30 CGEDMO CO[C@@H]1CCC[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)CC1 ZINC001140115171 931955713 /nfs/dbraw/zinc/95/57/13/931955713.db2.gz PCQQFCQPSIMIKA-OAHLLOKOSA-N 1 1 283.375 3.040 20 30 CGEDMO C=CCCCN(CC)CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001460902733 937551559 /nfs/dbraw/zinc/55/15/59/937551559.db2.gz VLDVGPNWKRDQSF-IYBDPMFKSA-N 1 1 252.446 3.252 20 30 CGEDMO C=CCCC[N@@H+](CC)CCN1C[C@H](C)C[C@H](C)C1 ZINC001460902733 937551562 /nfs/dbraw/zinc/55/15/62/937551562.db2.gz VLDVGPNWKRDQSF-IYBDPMFKSA-N 1 1 252.446 3.252 20 30 CGEDMO C=CCCC[N@H+](CC)CCN1C[C@H](C)C[C@H](C)C1 ZINC001460902733 937551565 /nfs/dbraw/zinc/55/15/65/937551565.db2.gz VLDVGPNWKRDQSF-IYBDPMFKSA-N 1 1 252.446 3.252 20 30 CGEDMO C=CCCC[N@H+](CC)CC(=O)N([C@H](C)C1CC1)C1CC1 ZINC001460897403 937551853 /nfs/dbraw/zinc/55/18/53/937551853.db2.gz CRRHVARIYLKFDD-CQSZACIVSA-N 1 1 278.440 3.064 20 30 CGEDMO N#Cc1ccc(Cl)c(C[N@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)c1 ZINC001140603206 931959331 /nfs/dbraw/zinc/95/93/31/931959331.db2.gz FKVDYYFFGBAHKS-JSGCOSHPSA-N 1 1 288.778 3.013 20 30 CGEDMO CCCCCCC[N@H+]1CCOC[C@H]1C[C@@H]1CCOC1 ZINC001460859029 937547824 /nfs/dbraw/zinc/54/78/24/937547824.db2.gz NPVZEMJAEPCJNP-JKSUJKDBSA-N 1 1 269.429 3.084 20 30 CGEDMO N#Cc1cc(F)cc(C[NH+]2CCC(C(F)F)CC2)c1 ZINC000307885090 932022543 /nfs/dbraw/zinc/02/25/43/932022543.db2.gz RSUPHGRJQDYYOE-UHFFFAOYSA-N 1 1 268.282 3.174 20 30 CGEDMO C#C[C@@H](CC(C)C)Oc1ccc2c(c1)CC[N@H+](C)C2 ZINC001228944541 932057274 /nfs/dbraw/zinc/05/72/74/932057274.db2.gz ONYKFWOBZYXQFP-INIZCTEOSA-N 1 1 257.377 3.101 20 30 CGEDMO CC[N@H+]1CC[C@H](Oc2ccc3ccc(C#N)cc3c2)C1 ZINC001228968300 932061027 /nfs/dbraw/zinc/06/10/27/932061027.db2.gz ITZARJMDEXNDLX-KRWDZBQOSA-N 1 1 266.344 3.184 20 30 CGEDMO C#CC[N@@H+](Cc1cnn(CC2CCC2)c1)C1CCCCC1 ZINC001461901343 937605494 /nfs/dbraw/zinc/60/54/94/937605494.db2.gz SDOQQCQFLRAABV-UHFFFAOYSA-N 1 1 285.435 3.451 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CCCC1 ZINC001230574537 932591930 /nfs/dbraw/zinc/59/19/30/932591930.db2.gz GFIMWLDPIIOLDG-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC)CC1 ZINC001230587449 932592944 /nfs/dbraw/zinc/59/29/44/932592944.db2.gz SEDHDEBAXQYYML-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)F ZINC001230608787 932599107 /nfs/dbraw/zinc/59/91/07/932599107.db2.gz SHPJLHLACNZYFA-AWEZNQCLSA-N 1 1 284.419 3.014 20 30 CGEDMO CC(C)(C)c1cccc(C#N)c1O[C@@H]1CCc2[nH+]ccn2C1 ZINC001230637613 932602536 /nfs/dbraw/zinc/60/25/36/932602536.db2.gz ZBQMQCCZOLICON-CQSZACIVSA-N 1 1 295.386 3.446 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC1CCCC1 ZINC001230670638 932606657 /nfs/dbraw/zinc/60/66/57/932606657.db2.gz CTZJLTYVCAFFKJ-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CSC(C)C ZINC001230823431 932627892 /nfs/dbraw/zinc/62/78/92/932627892.db2.gz HFDZPBNTZKLSRM-HUUCEWRRSA-N 1 1 298.496 3.015 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CSCCC ZINC001230923314 932643062 /nfs/dbraw/zinc/64/30/62/932643062.db2.gz BQKXNMAWWFNLLT-LSDHHAIUSA-N 1 1 298.496 3.017 20 30 CGEDMO CC(C)c1c(C#N)cccc1O[C@H]1CCC[N@@H+](C)C1 ZINC001234853571 932687665 /nfs/dbraw/zinc/68/76/65/932687665.db2.gz GDQPPFPWDSHOGN-AWEZNQCLSA-N 1 1 258.365 3.155 20 30 CGEDMO C=CCCCC(=O)N[C@H](C)C1CC[NH+](CC(=C)Cl)CC1 ZINC001332961197 932754274 /nfs/dbraw/zinc/75/42/74/932754274.db2.gz UVFKHXFKGMDAPS-CQSZACIVSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)CCNC(=O)c1cc(C(C)C)oc1C ZINC001317467901 932891596 /nfs/dbraw/zinc/89/15/96/932891596.db2.gz LVDGUVPWDYRQSV-UHFFFAOYSA-N 1 1 292.423 3.339 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@@](O)(CC)C(F)(F)F ZINC001307486598 932960319 /nfs/dbraw/zinc/96/03/19/932960319.db2.gz WVCHMJSDMWIGDG-LBPRGKRZSA-N 1 1 267.335 3.368 20 30 CGEDMO C#CC[NH+](CC#C)Cc1ccc([C@H](C)C(F)(F)F)cc1 ZINC001307486575 932960412 /nfs/dbraw/zinc/96/04/12/932960412.db2.gz IGUZWKOSCPEWCX-ZDUSSCGKSA-N 1 1 279.305 3.421 20 30 CGEDMO CCCCCCCCC[N@H+]1CCCC[C@@H]1C(=O)NC ZINC001307584387 932973653 /nfs/dbraw/zinc/97/36/53/932973653.db2.gz YCTAMKLGJJIIES-OAHLLOKOSA-N 1 1 268.445 3.338 20 30 CGEDMO C=CC[C@@H]1[N@@H+](C[C@H](C)CN2CCOCC2)CCCC1(C)C ZINC001307730191 932993300 /nfs/dbraw/zinc/99/33/00/932993300.db2.gz UVRQECYWXGITQC-SJORKVTESA-N 1 1 294.483 3.021 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)[C@@H](C)c1ccc(F)nc1 ZINC001307753571 932996088 /nfs/dbraw/zinc/99/60/88/932996088.db2.gz PELGCKSZLJOCHO-AWEZNQCLSA-N 1 1 268.335 3.417 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)c1ccc(F)nc1 ZINC001307753571 932996089 /nfs/dbraw/zinc/99/60/89/932996089.db2.gz PELGCKSZLJOCHO-AWEZNQCLSA-N 1 1 268.335 3.417 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)C[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001307753570 932996209 /nfs/dbraw/zinc/99/62/09/932996209.db2.gz PDIVFISETKXHQX-VQFNDLOPSA-N 1 1 271.404 3.325 20 30 CGEDMO C#CCOCC[N@H+](C)[C@H](C)Cc1ccccc1C(F)(F)F ZINC001307754719 932997865 /nfs/dbraw/zinc/99/78/65/932997865.db2.gz ZCWOXHNNCNDODN-CYBMUJFWSA-N 1 1 299.336 3.218 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@@H](O)[C@@H]1CCc1ccccc1 ZINC001307872571 933010848 /nfs/dbraw/zinc/01/08/48/933010848.db2.gz SJXWCNUIDVJMIJ-ZWKOTPCHSA-N 1 1 273.420 3.411 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@H](O)[C@H]1CCc1ccccc1 ZINC001307872568 933012093 /nfs/dbraw/zinc/01/20/93/933012093.db2.gz SJXWCNUIDVJMIJ-MSOLQXFVSA-N 1 1 273.420 3.411 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@@H+]2C[C@H]3[C@H](C[C@@H]3c3ccccc3)C2)C1 ZINC001307998095 933032284 /nfs/dbraw/zinc/03/22/84/933032284.db2.gz YMJIGYNPZCLGLW-FGTAOJJYSA-N 1 1 266.388 3.414 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3[C@H](C[C@@H]3c3ccccc3)C2)C1 ZINC001307998097 933032561 /nfs/dbraw/zinc/03/25/61/933032561.db2.gz YMJIGYNPZCLGLW-LHKMKVQPSA-N 1 1 266.388 3.414 20 30 CGEDMO CN(CC[N@@H+](C)CCc1cccc(C#N)c1)c1ccccc1 ZINC001308016548 933035493 /nfs/dbraw/zinc/03/54/93/933035493.db2.gz OQQDECRYKHFAFJ-UHFFFAOYSA-N 1 1 293.414 3.169 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC001308020611 933035923 /nfs/dbraw/zinc/03/59/23/933035923.db2.gz UKUAWRHSZLHCIO-GJZGRUSLSA-N 1 1 294.439 3.426 20 30 CGEDMO CC1(C[N@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)CCC1 ZINC001462596392 937652591 /nfs/dbraw/zinc/65/25/91/937652591.db2.gz QFGMXWJSXRHUOC-HNNXBMFYSA-N 1 1 284.407 3.020 20 30 CGEDMO C=CCC[C@@H]1CCC[N@H+]1CCc1nc2ccccc2c(=O)[nH]1 ZINC001308138327 933054806 /nfs/dbraw/zinc/05/48/06/933054806.db2.gz WWQKCUMMHMOZHR-CQSZACIVSA-N 1 1 297.402 3.309 20 30 CGEDMO CCC[C@@H]1CCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC001308136747 933055021 /nfs/dbraw/zinc/05/50/21/933055021.db2.gz USSBLYQZEYWXIY-OAHLLOKOSA-N 1 1 264.413 3.351 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]Cc1cncn1CCC ZINC001308271483 933086446 /nfs/dbraw/zinc/08/64/46/933086446.db2.gz SXFXFGFXRGSOJJ-UHFFFAOYSA-N 1 1 285.391 3.148 20 30 CGEDMO CC#CC[N@H+](C)C/C(C)=C/c1ccccc1COC ZINC001308965615 933214097 /nfs/dbraw/zinc/21/40/97/933214097.db2.gz SPVVIYFNHNFOAY-NTCAYCPXSA-N 1 1 257.377 3.191 20 30 CGEDMO C=C(C)C[N@H+](C)CCCNC(=O)C[C@H](C)c1ccccc1 ZINC001316865290 933302754 /nfs/dbraw/zinc/30/27/54/933302754.db2.gz VZYNFRAZZDBMEM-INIZCTEOSA-N 1 1 288.435 3.194 20 30 CGEDMO C=CCCCCCN(C)C(=O)Nc1cc(C)[nH+]c(C)c1 ZINC001341005031 933318197 /nfs/dbraw/zinc/31/81/97/933318197.db2.gz ADFBFTJXYJAQCA-UHFFFAOYSA-N 1 1 275.396 3.330 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](CNC(=O)C[C@H](C)CC(C)C)C1 ZINC001317531768 933360292 /nfs/dbraw/zinc/36/02/92/933360292.db2.gz DOFRJFPXOQTVNO-CVEARBPZSA-N 1 1 280.456 3.073 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)CCCC[C@@H](C)CC)[C@H]1C ZINC001316783369 933480080 /nfs/dbraw/zinc/48/00/80/933480080.db2.gz NJMCLCMQDLIJJB-BBWFWOEESA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@H+](CC2CC(C)C2)[C@@H]1C ZINC001316792078 933480518 /nfs/dbraw/zinc/48/05/18/933480518.db2.gz JGLVWPYWOVSKAH-KNIAUWFNSA-N 1 1 292.467 3.214 20 30 CGEDMO CC#CC[N@H+](CC)CCCNC(=O)[C@H]1CCC[C@@H]1CCC ZINC001316896937 933492096 /nfs/dbraw/zinc/49/20/96/933492096.db2.gz VUKMMWKRBNBQNV-IRXDYDNUSA-N 1 1 292.467 3.054 20 30 CGEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](CC)CCCCCC)C1 ZINC001316947274 933499907 /nfs/dbraw/zinc/49/99/07/933499907.db2.gz JSRPZASXEBEXGT-IRXDYDNUSA-N 1 1 292.467 3.197 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC)CCCCCC)C1 ZINC001316947274 933499910 /nfs/dbraw/zinc/49/99/10/933499910.db2.gz JSRPZASXEBEXGT-IRXDYDNUSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[C@H](C[N@H+](C)CCC)C1 ZINC001317044891 933522084 /nfs/dbraw/zinc/52/20/84/933522084.db2.gz SNTKDVWGDQEGSO-WBVHZDCISA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)CSC(C)C ZINC001317167294 933544754 /nfs/dbraw/zinc/54/47/54/933544754.db2.gz REVOOPQPCUNDBY-HNNXBMFYSA-N 1 1 298.496 3.065 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)C/C=C(\C)C=C ZINC001317173909 933546461 /nfs/dbraw/zinc/54/64/61/933546461.db2.gz NVHRSZZMJWGCSM-KMPOOHAWSA-N 1 1 276.424 3.056 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCCC ZINC001317199007 933552344 /nfs/dbraw/zinc/55/23/44/933552344.db2.gz OXNLWJBPQJTCDM-IRXDYDNUSA-N 1 1 290.451 3.045 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CC2(C)CC2)C1 ZINC001317207715 933554117 /nfs/dbraw/zinc/55/41/17/933554117.db2.gz HONUKNSYGVRKOB-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)CC(=C)C)C1 ZINC001317381700 933583409 /nfs/dbraw/zinc/58/34/09/933583409.db2.gz BQMSIKQLHCACQV-HNNXBMFYSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC[N@@H+](C)CCNC(=O)c1cc(C)c(C)cc1Cl ZINC001317460274 933597283 /nfs/dbraw/zinc/59/72/83/933597283.db2.gz ZLIWINHYPAKBMQ-UHFFFAOYSA-N 1 1 294.826 3.195 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)c1ccc(C)s1 ZINC001317476743 933598953 /nfs/dbraw/zinc/59/89/53/933598953.db2.gz XLQONZIYJFXZFN-ZDUSSCGKSA-N 1 1 294.464 3.463 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC[N@@H+](CCC)CC(=C)Cl ZINC001317542508 933614380 /nfs/dbraw/zinc/61/43/80/933614380.db2.gz AIMKUPLNASVUQO-UHFFFAOYSA-N 1 1 286.847 3.169 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC[N@H+](CCC)CC(=C)Cl ZINC001317542508 933614388 /nfs/dbraw/zinc/61/43/88/933614388.db2.gz AIMKUPLNASVUQO-UHFFFAOYSA-N 1 1 286.847 3.169 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC[N@H+](CCC(C)C)C1CC1 ZINC001317554088 933618261 /nfs/dbraw/zinc/61/82/61/933618261.db2.gz GRNPTPOUNDHRLD-UHFFFAOYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@@H+](CCNC(=O)c1cscc1C)C1CC1 ZINC001317550386 933618362 /nfs/dbraw/zinc/61/83/62/933618362.db2.gz BYXLWCPIYOCIEQ-UHFFFAOYSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1C(C)(C)C)C1CC1 ZINC001317555755 933620435 /nfs/dbraw/zinc/62/04/35/933620435.db2.gz RRGSWYSUWDBNPS-HZPDHXFCSA-N 1 1 292.467 3.215 20 30 CGEDMO CC(C)[N@@H+](CCCNC(=O)[C@H](C)C#N)CCCC(C)(C)C ZINC001317683513 933632654 /nfs/dbraw/zinc/63/26/54/933632654.db2.gz MJXGKXYENZWBRR-OAHLLOKOSA-N 1 1 295.471 3.189 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)CC2CC(C)(C)C2)C1 ZINC001317763926 933647236 /nfs/dbraw/zinc/64/72/36/933647236.db2.gz UHMLKGAETXHKNB-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CC23CC3)C1 ZINC001317766193 933647476 /nfs/dbraw/zinc/64/74/76/933647476.db2.gz CBIWEURYFMATIY-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](CCNC(=O)/C=C/C(C)(C)C)C1 ZINC001317778098 933649149 /nfs/dbraw/zinc/64/91/49/933649149.db2.gz FXXSEPNGLDYJMY-KXKDPZRNSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCC[N@H+](C)CC1CCN(C(=O)[C@H]2CC=CCC2)CC1 ZINC001317865327 933660938 /nfs/dbraw/zinc/66/09/38/933660938.db2.gz HEDCPWCZNWTAKY-KRWDZBQOSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCCCC(=O)N1CCC(C[N@H+](C)CC(=C)C)CC1 ZINC001317876196 933661010 /nfs/dbraw/zinc/66/10/10/933661010.db2.gz SGMQLFCJYQSVSV-UHFFFAOYSA-N 1 1 278.440 3.089 20 30 CGEDMO C=C(C)CCC(=O)NC1C[NH+]([C@@H]2CCCc3ccccc32)C1 ZINC001318029212 933675653 /nfs/dbraw/zinc/67/56/53/933675653.db2.gz ORFDCFBIRFLMRL-GOSISDBHSA-N 1 1 298.430 3.221 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1CC[N@H+](CC/C=C/CC)C1 ZINC001318351170 933711594 /nfs/dbraw/zinc/71/15/94/933711594.db2.gz CHWLNLLINZQAMX-HMOMSXHPSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C/C(C)=C/CC(=O)N(C)[C@H]1CC[N@@H+](CCC(=C)C)C1 ZINC001318422024 933723406 /nfs/dbraw/zinc/72/34/06/933723406.db2.gz HPJFVGQSUOCAPF-NHKNYXOTSA-N 1 1 276.424 3.008 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)C2(CC)CCCC2)C1 ZINC001318443516 933727825 /nfs/dbraw/zinc/72/78/25/933727825.db2.gz ZGDDOTOWGYKAGV-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CCC(=O)N(CC)[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC001318474405 933732103 /nfs/dbraw/zinc/73/21/03/933732103.db2.gz TXQVDRTVCXGALV-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC2(CC[N@H+](C(C)C)C2)CC1 ZINC001319144154 933831817 /nfs/dbraw/zinc/83/18/17/933831817.db2.gz BPKHALIOUGOMTK-UHFFFAOYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)c1ccc2c(c1)CCC=C2 ZINC001467728732 937721379 /nfs/dbraw/zinc/72/13/79/937721379.db2.gz OKZWNPOCYHMJMF-UHFFFAOYSA-N 1 1 298.430 3.226 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(OCC#N)cc2)C1(C)C ZINC001319418330 933872176 /nfs/dbraw/zinc/87/21/76/933872176.db2.gz OXPMDFGSFOKMAW-UHFFFAOYSA-N 1 1 258.365 3.209 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[N@H+](C)C2(CCCCC2)C1 ZINC001468225882 937725746 /nfs/dbraw/zinc/72/57/46/937725746.db2.gz RIHFAIVSZOETQA-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO C[N@H+](Cc1cc2ccccc2[nH]1)Cc1ccc(C#N)o1 ZINC001319828275 933938899 /nfs/dbraw/zinc/93/88/99/933938899.db2.gz GXSUBDCSSCDIKR-UHFFFAOYSA-N 1 1 265.316 3.265 20 30 CGEDMO C[N@@H+](Cc1cc2ccccc2[nH]1)Cc1ccc(C#N)o1 ZINC001319828275 933938908 /nfs/dbraw/zinc/93/89/08/933938908.db2.gz GXSUBDCSSCDIKR-UHFFFAOYSA-N 1 1 265.316 3.265 20 30 CGEDMO C=CCC[N@H+](C)CCC1CCN(C(=O)[C@H](F)C(C)C)CC1 ZINC001319886398 933950295 /nfs/dbraw/zinc/95/02/95/933950295.db2.gz UDXOHAGXWACHQU-MRXNPFEDSA-N 1 1 298.446 3.117 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](CCCOc2cc(C)ccc2C)C1 ZINC001320039124 933985944 /nfs/dbraw/zinc/98/59/44/933985944.db2.gz XUUSIPHASROYGX-QGZVFWFLSA-N 1 1 289.419 3.349 20 30 CGEDMO C#CC[N@@H+](Cc1coc(-c2ccc(C)cc2)n1)CC1CC1 ZINC001320134791 934007137 /nfs/dbraw/zinc/00/71/37/934007137.db2.gz GYPJVCXZYAUXNF-UHFFFAOYSA-N 1 1 280.371 3.495 20 30 CGEDMO C#CC[N@H+](Cc1coc(-c2ccc(C)cc2)n1)CC1CC1 ZINC001320134791 934007148 /nfs/dbraw/zinc/00/71/48/934007148.db2.gz GYPJVCXZYAUXNF-UHFFFAOYSA-N 1 1 280.371 3.495 20 30 CGEDMO C#CC[N@H+](C[C@@H](C)Cc1ccc(OC)c(F)c1)CC1CC1 ZINC001320309920 934029925 /nfs/dbraw/zinc/02/99/25/934029925.db2.gz CLKYEZWEGFNPEX-AWEZNQCLSA-N 1 1 289.394 3.358 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1sc(N2CCCCC2)nc1C ZINC001320342930 934033502 /nfs/dbraw/zinc/03/35/02/934033502.db2.gz LCHIZBLLTPZIPM-CYBMUJFWSA-N 1 1 292.452 3.224 20 30 CGEDMO CCCCCCCCNC(=O)N(CC)[C@@H]1CC[N@@H+](CC)C1 ZINC001469427372 937739137 /nfs/dbraw/zinc/73/91/37/937739137.db2.gz SYJAXNJLBRWIDX-MRXNPFEDSA-N 1 1 297.487 3.473 20 30 CGEDMO Cn1cc(-c2ccc(C[N@@H+]3CCC[C@](C)(C#N)C3)cc2)cn1 ZINC001321501011 934190652 /nfs/dbraw/zinc/19/06/52/934190652.db2.gz NAYZWURMAPYDTP-GOSISDBHSA-N 1 1 294.402 3.213 20 30 CGEDMO Cn1cc(-c2ccc(C[N@H+]3CCC[C@](C)(C#N)C3)cc2)cn1 ZINC001321501011 934190654 /nfs/dbraw/zinc/19/06/54/934190654.db2.gz NAYZWURMAPYDTP-GOSISDBHSA-N 1 1 294.402 3.213 20 30 CGEDMO C=CCCCCCCCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC001470384014 937752245 /nfs/dbraw/zinc/75/22/45/937752245.db2.gz DIINUKCQGVBXBD-HOTGVXAUSA-N 1 1 295.471 3.295 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@H](C)NC(=O)C(C)(C)C1CC1 ZINC001322221773 934258726 /nfs/dbraw/zinc/25/87/26/934258726.db2.gz BKVWOBYNZNCYRI-KBPBESRZSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc2cc[nH]c2c1 ZINC001322256685 934265229 /nfs/dbraw/zinc/26/52/29/934265229.db2.gz AUEZXIPUTYEAGV-CQSZACIVSA-N 1 1 299.418 3.184 20 30 CGEDMO C=CC[N@H+](C)C[C@@H](C)NC(=O)CCCc1sccc1C ZINC001322284952 934270561 /nfs/dbraw/zinc/27/05/61/934270561.db2.gz HTSLVRMJORBQNO-CQSZACIVSA-N 1 1 294.464 3.002 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC2CCC1CC2 ZINC001322305398 934275526 /nfs/dbraw/zinc/27/55/26/934275526.db2.gz DVYZRKBZKDUUNW-VXLLPVPCSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)C12CCC(CC1)C2 ZINC001323262455 934375213 /nfs/dbraw/zinc/37/52/13/934375213.db2.gz NRLHUGSGINOCRD-VUGNNNGISA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1CC[N@@H+]1CCCCCC ZINC001323277424 934378845 /nfs/dbraw/zinc/37/88/45/934378845.db2.gz LGLKGIILLNQCFH-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001323285858 934380029 /nfs/dbraw/zinc/38/00/29/934380029.db2.gz AKVWGTCUPRASFC-HZMVEIRTSA-N 1 1 292.467 3.193 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)CCCCC ZINC001323358116 934387816 /nfs/dbraw/zinc/38/78/16/934387816.db2.gz RRNMPUQTFWBRLO-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)CCCCC ZINC001323358116 934387822 /nfs/dbraw/zinc/38/78/22/934387822.db2.gz RRNMPUQTFWBRLO-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CCCC ZINC001323683498 934418272 /nfs/dbraw/zinc/41/82/72/934418272.db2.gz DAXZRSNMOHDQLQ-ZACQAIPSSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001323716151 934420646 /nfs/dbraw/zinc/42/06/46/934420646.db2.gz UVTWECFFSLZDPZ-OAHLLOKOSA-N 1 1 283.371 3.322 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](CCCOc2ccc(Cl)cc2)C1 ZINC001323728380 934422611 /nfs/dbraw/zinc/42/26/11/934422611.db2.gz MGOVJSXLVVBKDN-INIZCTEOSA-N 1 1 295.810 3.386 20 30 CGEDMO C=CC(C)(C)CCCNC(=O)[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001471718192 937768815 /nfs/dbraw/zinc/76/88/15/937768815.db2.gz PCYIUISKVYDCBA-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001323930654 934437988 /nfs/dbraw/zinc/43/79/88/934437988.db2.gz NNXGWGWISVIOAZ-UHFFFAOYSA-N 1 1 292.338 3.134 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001323930654 934437992 /nfs/dbraw/zinc/43/79/92/934437992.db2.gz NNXGWGWISVIOAZ-UHFFFAOYSA-N 1 1 292.338 3.134 20 30 CGEDMO CC[N@@H+](CCC(=O)Nc1sccc1C#N)C(C)(C)C ZINC001324438291 934504603 /nfs/dbraw/zinc/50/46/03/934504603.db2.gz LUVNXIYOKXYODR-UHFFFAOYSA-N 1 1 279.409 3.069 20 30 CGEDMO C=CCCCC(=O)N1CCCC[C@@]2(CC[N@H+](CCF)C2)C1 ZINC001324555620 934522977 /nfs/dbraw/zinc/52/29/77/934522977.db2.gz AQRKWHUUEQBYSZ-KRWDZBQOSA-N 1 1 296.430 3.017 20 30 CGEDMO C[C@@H](N[NH+]=Cc1ccc(N2CCCC2)cc1)C(F)(F)F ZINC001324611185 934533675 /nfs/dbraw/zinc/53/36/75/934533675.db2.gz WZIBCFQTNDTNDW-LLVKDONJSA-N 1 1 285.313 3.161 20 30 CGEDMO C[N@@H+]1Cc2ccccc2[C@@H]1CNc1cc(F)ccc1C#N ZINC001472857285 937786771 /nfs/dbraw/zinc/78/67/71/937786771.db2.gz CPNHPSFSJNNSJO-KRWDZBQOSA-N 1 1 281.334 3.296 20 30 CGEDMO C[N@H+]1Cc2ccccc2[C@@H]1CNc1cc(F)ccc1C#N ZINC001472857285 937786772 /nfs/dbraw/zinc/78/67/72/937786772.db2.gz CPNHPSFSJNNSJO-KRWDZBQOSA-N 1 1 281.334 3.296 20 30 CGEDMO C[C@@H](Cc1cccs1)[N@@H+](C)Cc1ccncc1C#N ZINC001473214673 937797625 /nfs/dbraw/zinc/79/76/25/937797625.db2.gz ZTFRXHOXFFBMFJ-LBPRGKRZSA-N 1 1 271.389 3.078 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001473335225 937801894 /nfs/dbraw/zinc/80/18/94/937801894.db2.gz YYTBXSJIRBZJSI-UONOGXRCSA-N 1 1 282.428 3.282 20 30 CGEDMO C=CCCCC[N@@H+]1CCc2ccc(OC)cc2CC1 ZINC001473346793 937802658 /nfs/dbraw/zinc/80/26/58/937802658.db2.gz UTKCNDYARANZOP-UHFFFAOYSA-N 1 1 259.393 3.452 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)CCCCCC)C1 ZINC001324974519 934878600 /nfs/dbraw/zinc/87/86/00/934878600.db2.gz AOSYIVJDOTVCOO-SFHVURJKSA-N 1 1 292.467 3.198 20 30 CGEDMO C#CC[N@@H+](C[C@H]1CCC2(CCCCCC2)O1)C1CC1 ZINC001473482048 937808418 /nfs/dbraw/zinc/80/84/18/937808418.db2.gz PHYLATNBXREHAN-MRXNPFEDSA-N 1 1 261.409 3.356 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+]([C@H](C)c2nc(-c3ccccc3)no2)C1 ZINC001325223357 934896035 /nfs/dbraw/zinc/89/60/35/934896035.db2.gz OBUUQAWJMGHERZ-HIFRSBDPSA-N 1 1 299.374 3.075 20 30 CGEDMO C=CCO[C@H]1CC[N@H+]([C@H](C)c2nc(-c3ccccc3)no2)C1 ZINC001325223357 934896041 /nfs/dbraw/zinc/89/60/41/934896041.db2.gz OBUUQAWJMGHERZ-HIFRSBDPSA-N 1 1 299.374 3.075 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC001325228063 934897208 /nfs/dbraw/zinc/89/72/08/934897208.db2.gz JWDLQMKLJBMZTK-ZDUSSCGKSA-N 1 1 269.747 3.256 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC001325228063 934897211 /nfs/dbraw/zinc/89/72/11/934897211.db2.gz JWDLQMKLJBMZTK-ZDUSSCGKSA-N 1 1 269.747 3.256 20 30 CGEDMO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)/C(C)=C/C)C2 ZINC001325616494 934919831 /nfs/dbraw/zinc/91/98/31/934919831.db2.gz GWHWQCLKPNNXAI-IJFGTFKESA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)C3CCCC3)[C@@H]2C1 ZINC001325920263 934939280 /nfs/dbraw/zinc/93/92/80/934939280.db2.gz YOOVXPGBVWUGMB-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC)c(C)c1)[C@H](C)COC ZINC001473637892 937815447 /nfs/dbraw/zinc/81/54/47/937815447.db2.gz XJSCOJFESITTQU-CQSZACIVSA-N 1 1 263.381 3.027 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1Cl)[C@H](C)COC ZINC001473636953 937815483 /nfs/dbraw/zinc/81/54/83/937815483.db2.gz NBSNQVUAYUVZAA-CYBMUJFWSA-N 1 1 267.800 3.405 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@H]1CCC=CCCC1 ZINC001327225640 935046217 /nfs/dbraw/zinc/04/62/17/935046217.db2.gz PHSATZGVBCDFOE-KRWDZBQOSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CC[N@H+](C)CCCN(C)C(=O)c1cc(C)c(CC)s1 ZINC001327285104 935051217 /nfs/dbraw/zinc/05/12/17/935051217.db2.gz MCSVKFUPWWOAMO-UHFFFAOYSA-N 1 1 294.464 3.199 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@]2(CC[N@H+](CC(C)C)C2)C1 ZINC001327529305 935068308 /nfs/dbraw/zinc/06/83/08/935068308.db2.gz HBGVYZRXRKBMMS-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C(C)(C)F)C(C)(C)C1 ZINC001328061536 935113748 /nfs/dbraw/zinc/11/37/48/935113748.db2.gz ORSWSXQOOZQSDO-ZIAGYGMSSA-N 1 1 298.446 3.306 20 30 CGEDMO C#CCCCCC(=O)N[C@@H]1CC[N@H+](CCCC)CC1(C)C ZINC001328081148 935115442 /nfs/dbraw/zinc/11/54/42/935115442.db2.gz JUNKZVNDDJOCEB-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[N@H+](CCC(C)C)[C@H](C)C1 ZINC001328278907 935128184 /nfs/dbraw/zinc/12/81/84/935128184.db2.gz KVMCXJWIHWBCRO-HZPDHXFCSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2(CF)CCC2)C[C@H]1C ZINC001328278955 935128236 /nfs/dbraw/zinc/12/82/36/935128236.db2.gz LHPDHTOFUCIXBO-HUUCEWRRSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C(C)(C)C=C ZINC001328469133 935141146 /nfs/dbraw/zinc/14/11/46/935141146.db2.gz PLFLYDYMVITNCA-QGZVFWFLSA-N 1 1 298.430 3.100 20 30 CGEDMO C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C(C)(C)C=C ZINC001328469133 935141149 /nfs/dbraw/zinc/14/11/49/935141149.db2.gz PLFLYDYMVITNCA-QGZVFWFLSA-N 1 1 298.430 3.100 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)c1cccs1 ZINC001328703305 935160745 /nfs/dbraw/zinc/16/07/45/935160745.db2.gz LRWBFTJHNJSWFY-CQSZACIVSA-N 1 1 292.448 3.251 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C(CC)CC ZINC001328707035 935162207 /nfs/dbraw/zinc/16/22/07/935162207.db2.gz JVDYFSOZZMGUTR-AWEZNQCLSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)C(CC)CC ZINC001328707035 935162210 /nfs/dbraw/zinc/16/22/10/935162210.db2.gz JVDYFSOZZMGUTR-AWEZNQCLSA-N 1 1 286.847 3.098 20 30 CGEDMO N#CCC[C@@H]([NH2+]Cc1ccnc(F)c1)c1ccccc1 ZINC001328765738 935168076 /nfs/dbraw/zinc/16/80/76/935168076.db2.gz YCDWEHFVTFPLMK-OAHLLOKOSA-N 1 1 269.323 3.355 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)Cc1cccs1 ZINC001329373459 935209845 /nfs/dbraw/zinc/20/98/45/935209845.db2.gz SPFQWPBLHOCJFH-KGLIPLIRSA-N 1 1 294.464 3.082 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)CC(C)(C)C ZINC001329387418 935212235 /nfs/dbraw/zinc/21/22/35/935212235.db2.gz XVMUYTSNSRFLFF-UONOGXRCSA-N 1 1 268.445 3.214 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)CNC(=O)c1cc(C)c(Cl)cc1C ZINC001329501110 935220825 /nfs/dbraw/zinc/22/08/25/935220825.db2.gz OKWCZTSYVDXWAH-CYBMUJFWSA-N 1 1 294.826 3.193 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H](C)[N@@H+](C)CCC1CCCC1 ZINC001329524289 935223340 /nfs/dbraw/zinc/22/33/40/935223340.db2.gz OBUPSIUTFGRGDG-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](CCC(=C)C)CC1(C)C ZINC001330230612 935278735 /nfs/dbraw/zinc/27/87/35/935278735.db2.gz QUHAISJLAKFAOP-HZPDHXFCSA-N 1 1 292.467 3.382 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC001330638479 935306718 /nfs/dbraw/zinc/30/67/18/935306718.db2.gz HQBBVJTUPBJXJO-LLVKDONJSA-N 1 1 252.308 3.336 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)CSC(C)C)CC1 ZINC001331001501 935340799 /nfs/dbraw/zinc/34/07/99/935340799.db2.gz YEXYEENYGFILEW-UHFFFAOYSA-N 1 1 298.496 3.017 20 30 CGEDMO C=C(C)CC[N@H+](C)C1CCN(C(=O)[C@@H]2CC[C@@H](F)C2)CC1 ZINC001331038721 935345359 /nfs/dbraw/zinc/34/53/59/935345359.db2.gz IKIURAHZTTYOGG-HUUCEWRRSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)CCC3CC3)CCC[C@H]12 ZINC001332082644 935438480 /nfs/dbraw/zinc/43/84/80/935438480.db2.gz PFYPOZDGDKQHNR-WMZOPIPTSA-N 1 1 290.451 3.256 20 30 CGEDMO C=C(C)CCC(=O)N[C@@]12CCC[C@@H]1[N@@H+](CC=C(C)C)CC2 ZINC001332094231 935439525 /nfs/dbraw/zinc/43/95/25/935439525.db2.gz ZYYRKKXFXJCSNI-FUHWJXTLSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)CCCC#CC)[C@@H]1C ZINC001332198734 935448416 /nfs/dbraw/zinc/44/84/16/935448416.db2.gz KWRFLJYHVWSBFI-DLBZAZTESA-N 1 1 290.451 3.115 20 30 CGEDMO N#CC1CCC(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001333118019 935511639 /nfs/dbraw/zinc/51/16/39/935511639.db2.gz GGDLGNQWFFQLCU-UHFFFAOYSA-N 1 1 299.374 3.283 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)C2(CC)CC2)CC1 ZINC001333400047 935533430 /nfs/dbraw/zinc/53/34/30/935533430.db2.gz LJBNHZXXZGWUCD-HNNXBMFYSA-N 1 1 290.451 3.280 20 30 CGEDMO CC(C)c1cc([C@@H]2CCCN(C[C@H](C#N)CCC#N)C2)[nH]n1 ZINC001333487486 935539874 /nfs/dbraw/zinc/53/98/74/935539874.db2.gz IANOSOHEIKPEOZ-LSDHHAIUSA-N 1 1 299.422 3.156 20 30 CGEDMO C[C@H]1CSCC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC001334193398 936090154 /nfs/dbraw/zinc/09/01/54/936090154.db2.gz HVUJNQFFXLNSGV-IYXRBSQSSA-N 1 1 252.427 3.001 20 30 CGEDMO C=C(Cl)CN1CCC[C@@H](c2cc(C(C)C)n[nH]2)C1 ZINC001335697883 936156838 /nfs/dbraw/zinc/15/68/38/936156838.db2.gz RZAUNMXSYZEHBQ-GFCCVEGCSA-N 1 1 267.804 3.465 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H](c2cc(C(C)C)n[nH]2)C1 ZINC001335697883 936156841 /nfs/dbraw/zinc/15/68/41/936156841.db2.gz RZAUNMXSYZEHBQ-GFCCVEGCSA-N 1 1 267.804 3.465 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](c2cc(C(C)C)n[nH]2)C1 ZINC001335697883 936156842 /nfs/dbraw/zinc/15/68/42/936156842.db2.gz RZAUNMXSYZEHBQ-GFCCVEGCSA-N 1 1 267.804 3.465 20 30 CGEDMO C=C(C)CCC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC001335728850 936156880 /nfs/dbraw/zinc/15/68/80/936156880.db2.gz VUQJMEULFKKROI-OAHLLOKOSA-N 1 1 266.429 3.114 20 30 CGEDMO C[C@]1(C#N)CCC[N@H+](C[C@H]2CCCC3(CCC3)O2)C1 ZINC001335760490 936158837 /nfs/dbraw/zinc/15/88/37/936158837.db2.gz ROLHLQPDKQYAJN-HUUCEWRRSA-N 1 1 262.397 3.104 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](C[C@H]2CCCC3(CCC3)O2)C1 ZINC001335760490 936158842 /nfs/dbraw/zinc/15/88/42/936158842.db2.gz ROLHLQPDKQYAJN-HUUCEWRRSA-N 1 1 262.397 3.104 20 30 CGEDMO CS[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC001337042826 936233425 /nfs/dbraw/zinc/23/34/25/936233425.db2.gz SUPKMJDNTKBKTM-MNOVXSKESA-N 1 1 266.435 3.336 20 30 CGEDMO COCC[N@H+](Cc1ccc(C)c(C)c1)CC1(C#N)CC1 ZINC001337602787 936273151 /nfs/dbraw/zinc/27/31/51/936273151.db2.gz TWVXFJXOYKCOEX-UHFFFAOYSA-N 1 1 272.392 3.056 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C)c(C)c1)CC1(C#N)CC1 ZINC001337602787 936273154 /nfs/dbraw/zinc/27/31/54/936273154.db2.gz TWVXFJXOYKCOEX-UHFFFAOYSA-N 1 1 272.392 3.056 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC001337648787 936276950 /nfs/dbraw/zinc/27/69/50/936276950.db2.gz GTPBTCXBWWUZEL-AWEZNQCLSA-N 1 1 285.309 3.482 20 30 CGEDMO C=C[C@H](COC)[NH2+]Cc1csc(-c2ccc(C)cc2)n1 ZINC001338094947 936306188 /nfs/dbraw/zinc/30/61/88/936306188.db2.gz UAERDLTYUPQGLP-CQSZACIVSA-N 1 1 288.416 3.409 20 30 CGEDMO N#Cc1ccnc(C[N@H+]2CCC[C@H](C3CCCC3)C2)c1 ZINC001473886607 937827637 /nfs/dbraw/zinc/82/76/37/937827637.db2.gz FKSZOOXEVYFIGG-INIZCTEOSA-N 1 1 269.392 3.355 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC001474601359 937869863 /nfs/dbraw/zinc/86/98/63/937869863.db2.gz MZYSEAJSOFJVLY-LBPRGKRZSA-N 1 1 275.779 3.120 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@H+](C[C@@H](C)CC)[C@@H]1CC ZINC001479635313 937923194 /nfs/dbraw/zinc/92/31/94/937923194.db2.gz CNJSUZZIKOJVOD-HRCADAONSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)/C=C(/C)C1CC1 ZINC001479732616 937924644 /nfs/dbraw/zinc/92/46/44/937924644.db2.gz PMULZSVNJMOYRC-HKBKRHGFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[N@@H+](CC=C)CC(C)(C)C1 ZINC001479744047 937925138 /nfs/dbraw/zinc/92/51/38/937925138.db2.gz CILRQNUQNBCEOX-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)C(C)C)CC(C)(C)C1 ZINC001479747199 937925265 /nfs/dbraw/zinc/92/52/65/937925265.db2.gz YHPLJMBAXPRZIL-HZPDHXFCSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)C[N@H+](C)CCCNC(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001479800687 937926000 /nfs/dbraw/zinc/92/60/00/937926000.db2.gz RPRHTRXUPOZYBM-YJBOKZPZSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCCNC(=O)c1ccc(CF)cc1 ZINC001479815828 937926414 /nfs/dbraw/zinc/92/64/14/937926414.db2.gz JKZXLVIWEIJJQP-UHFFFAOYSA-N 1 1 292.398 3.174 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](CNC(=O)CCC2(C)CC2)C1 ZINC001480266306 937935586 /nfs/dbraw/zinc/93/55/86/937935586.db2.gz XVWPXYREIAOBMH-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)/C=C(\C)CC ZINC001480317613 937936446 /nfs/dbraw/zinc/93/64/46/937936446.db2.gz NQPSAHOLKYMCCW-QJPKHSJYSA-N 1 1 278.440 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)/C=C(\C)C2CC2)C1 ZINC001480376535 937937700 /nfs/dbraw/zinc/93/77/00/937937700.db2.gz OZTFILCMFVLXJH-OHZIQAAMSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)C2(F)CCCCC2)C1 ZINC001480740496 937943358 /nfs/dbraw/zinc/94/33/58/937943358.db2.gz ZNZXRXSMKSPLHA-HNNXBMFYSA-N 1 1 296.430 3.158 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1ccsc1 ZINC001493073870 937946927 /nfs/dbraw/zinc/94/69/27/937946927.db2.gz LHEMLUZQAFYGOM-UKRRQHHQSA-N 1 1 292.448 3.297 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](CNC(=O)C2CC(C)C2)C1 ZINC001493190695 937948367 /nfs/dbraw/zinc/94/83/67/937948367.db2.gz AULSPBBCQMNOII-CGZBRXJRSA-N 1 1 294.483 3.441 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001493228683 937948380 /nfs/dbraw/zinc/94/83/80/937948380.db2.gz WPCQQUUVPKXJMI-HNNXBMFYSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CC[N@H+](CC(=C)C)C2)CCCC1 ZINC001493270355 937948880 /nfs/dbraw/zinc/94/88/80/937948880.db2.gz MVHNOKDFMHZARX-MRXNPFEDSA-N 1 1 290.451 3.137 20 30 CGEDMO C#CCC[N@H+](CCCNC(=O)C(C)=C1CCCC1)C(C)C ZINC001493858161 937951472 /nfs/dbraw/zinc/95/14/72/937951472.db2.gz MZRVXIHQIUSQBK-UHFFFAOYSA-N 1 1 290.451 3.117 20 30 CGEDMO C=CCCC(=O)N1CC[C@H](C[N@H+](C)CC/C=C/CC)C1 ZINC001494117944 937953285 /nfs/dbraw/zinc/95/32/85/937953285.db2.gz BBHPNJIWFIVPIJ-IQIBNGDESA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCC[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2C(C)C)CC1 ZINC001494211001 937954079 /nfs/dbraw/zinc/95/40/79/937954079.db2.gz ZMKUAERVXGWZKV-DLBZAZTESA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)CCCC(C)C)C1 ZINC001494326491 937954145 /nfs/dbraw/zinc/95/41/45/937954145.db2.gz SDWBJACTOFEDBW-INIZCTEOSA-N 1 1 280.456 3.360 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)CCC(F)(F)F)C1 ZINC001494363677 937954635 /nfs/dbraw/zinc/95/46/35/937954635.db2.gz WUXAASFPIFEXKW-UHFFFAOYSA-N 1 1 294.361 3.100 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(CCC)CC1 ZINC001494672761 937955571 /nfs/dbraw/zinc/95/55/71/937955571.db2.gz LWENBMICCMAHPC-JYJNAYRXSA-N 1 1 290.451 3.207 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@](C)(CC)CCCCC)C1 ZINC001494794399 937956347 /nfs/dbraw/zinc/95/63/47/937956347.db2.gz UUXHPAAMVRGGKW-SJLPKXTDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)CC(C)(C)CC)C1 ZINC001494824686 937956740 /nfs/dbraw/zinc/95/67/40/937956740.db2.gz CQRRMMOYMPQHDV-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001494850933 937956780 /nfs/dbraw/zinc/95/67/80/937956780.db2.gz NMYRORKMHYJZRV-CVEARBPZSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H](C)CCCC)C1 ZINC001494891841 937956861 /nfs/dbraw/zinc/95/68/61/937956861.db2.gz LFBWCYNKPRPXOJ-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)C(C)(C)C1CCC1 ZINC001496749600 937963964 /nfs/dbraw/zinc/96/39/64/937963964.db2.gz DCLKLTSLHDYHNE-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC(C)(C)C(=O)N(C)CC[N@@H+](C)CC1=CCCCC1 ZINC001496792611 937964230 /nfs/dbraw/zinc/96/42/30/937964230.db2.gz RCYUNIMHNKDUPB-UHFFFAOYSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2CN(C(=O)C3(CCC)CCC3)CC[C@@H]21 ZINC001496864034 937964566 /nfs/dbraw/zinc/96/45/66/937964566.db2.gz RXCLGBNNOPFCMI-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C#Cc1ccc(C(=O)N[C@H](C)C[N@@H+](C)[C@H](C)CCC=C)cc1 ZINC001498355269 937969105 /nfs/dbraw/zinc/96/91/05/937969105.db2.gz HYMVMTSMFKCJHV-HZPDHXFCSA-N 1 1 298.430 3.073 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H](C)C[N@H+](C)CCCC(C)C ZINC001498355424 937969198 /nfs/dbraw/zinc/96/91/98/937969198.db2.gz LVBICEATMHSARO-CQSZACIVSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC ZINC001500149257 937975981 /nfs/dbraw/zinc/97/59/81/937975981.db2.gz ODWKWRRCNCOCTF-CVEARBPZSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H](C)c2cccs2)C1 ZINC001500258534 937976782 /nfs/dbraw/zinc/97/67/82/937976782.db2.gz UPJOHRQEBXPFOE-BBRMVZONSA-N 1 1 292.448 3.008 20 30 CGEDMO C#CC[N@@H+]1CCC[C@](C)(CNC(=O)C(CC)(CC)CC)C1 ZINC001500543356 937977912 /nfs/dbraw/zinc/97/79/12/937977912.db2.gz XEVZAYYDSOIYBG-QGZVFWFLSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C)CCCC)C2 ZINC001501164119 937978968 /nfs/dbraw/zinc/97/89/68/937978968.db2.gz UBLLAMLFCZSHHJ-WCXIOVBPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC(C)C ZINC001501396188 937979502 /nfs/dbraw/zinc/97/95/02/937979502.db2.gz TVAXMTIMYGPIML-IXDOHACOSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)CCC2CCC2)CC1 ZINC001502117680 937981285 /nfs/dbraw/zinc/98/12/85/937981285.db2.gz ZNNLGCICZBHTBG-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[C@H](C)C1 ZINC001502380087 937982228 /nfs/dbraw/zinc/98/22/28/937982228.db2.gz BFSCYBLNDWLIBS-JKSUJKDBSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCCC)C1 ZINC001502404379 937982367 /nfs/dbraw/zinc/98/23/67/937982367.db2.gz GEEBRVMOOQAOAL-IAGOWNOFSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccsc2)[C@H](C)C1 ZINC001502907367 937983633 /nfs/dbraw/zinc/98/36/33/937983633.db2.gz VWOFMNUNRCCGLS-UKRRQHHQSA-N 1 1 292.448 3.183 20 30 CGEDMO C=CC[N@H+](CC)CC1CCN(C(=O)C[C@@H](C=C)CC)CC1 ZINC001505398631 937984913 /nfs/dbraw/zinc/98/49/13/937984913.db2.gz PHLRURGENQVDGQ-INIZCTEOSA-N 1 1 292.467 3.335 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccsc1C ZINC001505429931 937985211 /nfs/dbraw/zinc/98/52/11/937985211.db2.gz WNYOJHYSCCNMRQ-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]1C[N@H+](C)CC[C@@H](C)F ZINC001505444025 937985470 /nfs/dbraw/zinc/98/54/70/937985470.db2.gz VLLRGXMDOMGSPS-HUUCEWRRSA-N 1 1 284.419 3.014 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(C)cc1 ZINC001505929000 937987893 /nfs/dbraw/zinc/98/78/93/937987893.db2.gz RLQGQCMLMZIMGA-MRXNPFEDSA-N 1 1 288.435 3.288 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)CC(C)(C)C=C ZINC001506567891 937990816 /nfs/dbraw/zinc/99/08/16/937990816.db2.gz ZASGAUIKGLTUJV-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CC[N@H+](C)C1CCN(C(=O)C2(CC)CC2)CC1 ZINC001506962620 937993296 /nfs/dbraw/zinc/99/32/96/937993296.db2.gz ZVBGTVZXDGQQPA-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC(=O)N1CCC([N@@H+](C)CCC(C)(C)C)CC1 ZINC001506955550 937993310 /nfs/dbraw/zinc/99/33/10/937993310.db2.gz LNAJWDNSLVYIEN-UHFFFAOYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CCC[N@@H+](CCC2CC2)[C@@H]1C ZINC001507377091 937995696 /nfs/dbraw/zinc/99/56/96/937995696.db2.gz SFSKQNVWTWUHCO-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC(=O)N(CC[N@H+](C)CCC(F)(F)F)C(C)C ZINC001507768194 937996961 /nfs/dbraw/zinc/99/69/61/937996961.db2.gz IOLYEXFFDPMRJK-UHFFFAOYSA-N 1 1 294.361 3.074 20 30 CGEDMO C=CCCC(=O)N(CC[N@@H+](C)CCC(F)(F)F)C(C)C ZINC001507768194 937996962 /nfs/dbraw/zinc/99/69/62/937996962.db2.gz IOLYEXFFDPMRJK-UHFFFAOYSA-N 1 1 294.361 3.074 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001557869782 938212140 /nfs/dbraw/zinc/21/21/40/938212140.db2.gz YZRVMUYYOVLMMZ-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@@H](Cc2ccc(C)cc2)C1 ZINC001559511918 938228154 /nfs/dbraw/zinc/22/81/54/938228154.db2.gz PTZRNZDMSZTNTK-SFHVURJKSA-N 1 1 273.420 3.452 20 30 CGEDMO C=CC[C@H](C)[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC001559538160 938228962 /nfs/dbraw/zinc/22/89/62/938228962.db2.gz QNYGVCDFONKDCA-GOEBONIOSA-N 1 1 272.392 3.078 20 30 CGEDMO C#CCOCC[N@@H+]1CCC[C@@H](C)[C@H]1c1ccc(C)cc1 ZINC001559559253 938229379 /nfs/dbraw/zinc/22/93/79/938229379.db2.gz MZCSBPAECDBVKS-AEFFLSMTSA-N 1 1 271.404 3.418 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)CCCCCCCO ZINC001559554027 938229468 /nfs/dbraw/zinc/22/94/68/938229468.db2.gz RCDQNYFGOHUITG-UHFFFAOYSA-N 1 1 254.418 3.191 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC001559746716 938234160 /nfs/dbraw/zinc/23/41/60/938234160.db2.gz IBIDAVZFSQPRLQ-UHFFFAOYSA-N 1 1 287.403 3.486 20 30 CGEDMO C=CCCC[N@H+](C)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC001559849731 938237117 /nfs/dbraw/zinc/23/71/17/938237117.db2.gz CGFQSIGVKCGOEQ-UHFFFAOYSA-N 1 1 282.428 3.332 20 30 CGEDMO COC[C@H](C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1)C(C)C ZINC001559930646 938239350 /nfs/dbraw/zinc/23/93/50/938239350.db2.gz BLGDRJAYMSDPII-YOEHRIQHSA-N 1 1 274.408 3.470 20 30 CGEDMO C=CC[C@H](C(=O)OC)[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC001559977385 938240716 /nfs/dbraw/zinc/24/07/16/938240716.db2.gz SYLRKKOXJIZSDY-LSDHHAIUSA-N 1 1 265.397 3.006 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC001560151689 938245076 /nfs/dbraw/zinc/24/50/76/938245076.db2.gz NHHGTYIJDNUBMO-AWEZNQCLSA-N 1 1 282.428 3.284 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@H]1[C@H](C)c1ccccc1 ZINC001560163749 938245454 /nfs/dbraw/zinc/24/54/54/938245454.db2.gz ZWPFIYLNQZXCBE-WBVHZDCISA-N 1 1 259.393 3.457 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1CCSc1cccc(OC)c1 ZINC001560205419 938246940 /nfs/dbraw/zinc/24/69/40/938246940.db2.gz ANVUFMVBZRFGTB-ZDUSSCGKSA-N 1 1 263.406 3.438 20 30 CGEDMO C#C[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC001560209648 938247303 /nfs/dbraw/zinc/24/73/03/938247303.db2.gz UHPSBSGDLIDNAJ-HUUCEWRRSA-N 1 1 297.320 3.227 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@@]2(CCOC2=O)C1 ZINC001560237891 938248588 /nfs/dbraw/zinc/24/85/88/938248588.db2.gz UQXVTADBFMOXDL-MRXNPFEDSA-N 1 1 267.413 3.376 20 30 CGEDMO C=CCCCC[C@H](C)[NH2+][C@H](CC(=C)C)C(=O)OC ZINC001560968074 938287073 /nfs/dbraw/zinc/28/70/73/938287073.db2.gz VQZBNCKAQOSGAJ-UONOGXRCSA-N 1 1 253.386 3.219 20 30 CGEDMO C=C(C)C[C@H]([NH2+][C@@H](C)CCCCC)C(=O)OCC ZINC001560987312 938287985 /nfs/dbraw/zinc/28/79/85/938287985.db2.gz VKAJXBNHCPSXBS-KBPBESRZSA-N 1 1 255.402 3.443 20 30 CGEDMO C[N@H+](CCc1cccc(C#N)c1)Cc1cccc(F)c1O ZINC001560976431 938287422 /nfs/dbraw/zinc/28/74/22/938287422.db2.gz LJVKRJYXJFLYPY-UHFFFAOYSA-N 1 1 284.334 3.077 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1cccc(F)c1O ZINC001560976431 938287423 /nfs/dbraw/zinc/28/74/23/938287423.db2.gz LJVKRJYXJFLYPY-UHFFFAOYSA-N 1 1 284.334 3.077 20 30 CGEDMO C[C@]1(C[N@H+]2CCC[C@@H](C#N)C2)C[C@@H]1c1ccccc1 ZINC001561004440 938288856 /nfs/dbraw/zinc/28/88/56/938288856.db2.gz ZCPPLHWFJUUNBD-USXIJHARSA-N 1 1 254.377 3.416 20 30 CGEDMO C=CCCCCC[C@@H](C)[NH2+]Cc1nc(C(F)(F)F)n[nH]1 ZINC001561058482 938292527 /nfs/dbraw/zinc/29/25/27/938292527.db2.gz SAKFNNDKHIEUEV-SNVBAGLBSA-N 1 1 290.333 3.438 20 30 CGEDMO C=C1CC(C)(C(=O)NCC[N@@H+](CC)CCCC(C)C)C1 ZINC001480999093 957700313 /nfs/dbraw/zinc/70/03/13/957700313.db2.gz JAKDIAPHJOVBCI-UHFFFAOYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)CC2=CCCCC2)CC1 ZINC001486503841 957833842 /nfs/dbraw/zinc/83/38/42/957833842.db2.gz HHXOKIGRWAIKTL-UHFFFAOYSA-N 1 1 288.435 3.201 20 30 CGEDMO N#Cc1ccc(CCNc2cc(C3CC3)cc[nH+]2)cc1 ZINC001156838149 958829215 /nfs/dbraw/zinc/82/92/15/958829215.db2.gz XJAIWPDMFYZOMM-UHFFFAOYSA-N 1 1 263.344 3.485 20 30 CGEDMO Cc1[nH]c2nc[nH+]c(NCCc3ccc(C#N)cc3)c2c1C ZINC001156838221 958829704 /nfs/dbraw/zinc/82/97/04/958829704.db2.gz ZRWYNZWLEUUHGB-UHFFFAOYSA-N 1 1 291.358 3.101 20 30 CGEDMO C#CCCCCCC(=O)N[C@H]1CC[N@H+](CCCC)[C@H](C)C1 ZINC001570440721 960460563 /nfs/dbraw/zinc/46/05/63/960460563.db2.gz OEWWIRDTLURJHB-SJORKVTESA-N 1 1 292.467 3.339 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CCC[N@@H+](CCC3CC3)C2)CCC1 ZINC001566629163 960567588 /nfs/dbraw/zinc/56/75/88/960567588.db2.gz SWOZXCIWMZWOHY-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001566736597 960573813 /nfs/dbraw/zinc/57/38/13/960573813.db2.gz ROMKIUGUMDDOBU-QGZVFWFLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]([N@@H+](C)CCC(=C)C)C1 ZINC001567198899 960583673 /nfs/dbraw/zinc/58/36/73/960583673.db2.gz QIPOSJWMKCDEIS-WMZOPIPTSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCCC(=O)NCC[N@H+](C)CC[C@H]1CCC[C@@H](C)C1 ZINC001567273724 960587999 /nfs/dbraw/zinc/58/79/99/960587999.db2.gz KQDCMYMMZCOTPF-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](CC)CCCCCC)C1 ZINC001567919386 960602893 /nfs/dbraw/zinc/60/28/93/960602893.db2.gz ZTOMJZSDQOVNND-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC2CC2)C1 ZINC001565503884 960789600 /nfs/dbraw/zinc/78/96/00/960789600.db2.gz DBKRGJPIHHMFKK-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)CCC1CCCCC1 ZINC001565833189 960835715 /nfs/dbraw/zinc/83/57/15/960835715.db2.gz LFSQIXCFPNSDGM-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)CC(C)(C)C)[C@H]1C ZINC001566104060 960878313 /nfs/dbraw/zinc/87/83/13/960878313.db2.gz IZZHESUOQPYNGV-ZNMIVQPWSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC1(C)C ZINC001566124588 960893716 /nfs/dbraw/zinc/89/37/16/960893716.db2.gz YXPUOHUEUVBHAM-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C=C1CCCCC1 ZINC001566119626 960895192 /nfs/dbraw/zinc/89/51/92/960895192.db2.gz MANAMTZWQDWYPH-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C(C)C[N@H+](C)CCCNC(=O)[C@H]1CCC[C@@H]1CCC ZINC001566468467 960944515 /nfs/dbraw/zinc/94/45/15/960944515.db2.gz BGFQARNOHQCOCH-HOTGVXAUSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)c1csc(C)c1C ZINC001566551479 960952100 /nfs/dbraw/zinc/95/21/00/960952100.db2.gz WAPCVIJYYRJCHE-UHFFFAOYSA-N 1 1 294.464 3.383 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)CC/C=C\c2ccccc2)C1 ZINC001566671834 960978674 /nfs/dbraw/zinc/97/86/74/960978674.db2.gz BXANAAWUNKAIGR-TWVNLXSWSA-N 1 1 298.430 3.247 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@H+](C[C@H](C)CC)C2)CCCC1 ZINC001566684451 960983666 /nfs/dbraw/zinc/98/36/66/960983666.db2.gz OLTUXRXDAAILRA-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@H+](CCCCC)C2)CCC1 ZINC001566673122 960986378 /nfs/dbraw/zinc/98/63/78/960986378.db2.gz ZDFBNZBAXIFYQM-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CCC ZINC001566750756 961001084 /nfs/dbraw/zinc/00/10/84/961001084.db2.gz QNIPZSHUVKXWPU-VVLHAWIVSA-N 1 1 292.467 3.453 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CC=C)C1 ZINC001566959657 961069020 /nfs/dbraw/zinc/06/90/20/961069020.db2.gz GMDNUQJUFJDGPX-DOTOQJQBSA-N 1 1 290.451 3.158 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)c2coc(C)c2)C1 ZINC001567189101 961128103 /nfs/dbraw/zinc/12/81/03/961128103.db2.gz AFXKYTOSHHDTFP-MRXNPFEDSA-N 1 1 290.407 3.091 20 30 CGEDMO CC[C@H](C)C[N@@H+](C)[C@H]1CCCN(C(=O)C#CC(C)(C)C)C1 ZINC001567191480 961129049 /nfs/dbraw/zinc/12/90/49/961129049.db2.gz IPUYXSZXUQPWJV-HOTGVXAUSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]([N@H+](C)C[C@@H](F)CC)C1 ZINC001567192858 961131658 /nfs/dbraw/zinc/13/16/58/961131658.db2.gz IXFDCZJJCYQYRT-LSDHHAIUSA-N 1 1 284.419 3.014 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)c2coc(C)c2)C1 ZINC001567189100 961135156 /nfs/dbraw/zinc/13/51/56/961135156.db2.gz AFXKYTOSHHDTFP-INIZCTEOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)c1ccsc1 ZINC001567379099 961306810 /nfs/dbraw/zinc/30/68/10/961306810.db2.gz NZMMTNLTTCHXBO-UKRRQHHQSA-N 1 1 292.448 3.008 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](F)CC1CCCCC1 ZINC001567383576 961306906 /nfs/dbraw/zinc/30/69/06/961306906.db2.gz UYMMAXNRDUICHT-CVEARBPZSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)CC[N@@H+](CCNC(=O)c1cc(C)oc1C)C1CC1 ZINC001567437137 961340066 /nfs/dbraw/zinc/34/00/66/961340066.db2.gz RXLWYZBSSJDVDM-UHFFFAOYSA-N 1 1 290.407 3.057 20 30 CGEDMO C=C(Cl)C[N@H+](CCC)CCNC(=O)CC1CCCC1 ZINC001567421891 961341943 /nfs/dbraw/zinc/34/19/43/961341943.db2.gz HPGWPBRHSKQMAD-UHFFFAOYSA-N 1 1 286.847 3.147 20 30 CGEDMO C=C(Cl)C[N@@H+](CCC)CCNC(=O)CC1CCCC1 ZINC001567421891 961341963 /nfs/dbraw/zinc/34/19/63/961341963.db2.gz HPGWPBRHSKQMAD-UHFFFAOYSA-N 1 1 286.847 3.147 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[N@@H+](CC1=CCCCC1)C1CC1 ZINC001567446822 961346889 /nfs/dbraw/zinc/34/68/89/961346889.db2.gz JMEKFEFHSRDTGQ-UHFFFAOYSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)C[C@H](C)CC(C)C)C1 ZINC001567713264 961407078 /nfs/dbraw/zinc/40/70/78/961407078.db2.gz ZUCQFNFDHBHUJR-SJORKVTESA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H](CC)CC(C)C)C1 ZINC001567711371 961408169 /nfs/dbraw/zinc/40/81/69/961408169.db2.gz ACFNWLZWWWILGA-HZPDHXFCSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)C(C)C)C1 ZINC001567729747 961413628 /nfs/dbraw/zinc/41/36/28/961413628.db2.gz MZKBCTPUQAVFNI-HNNXBMFYSA-N 1 1 280.456 3.025 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC(C[N@H+](C)C[C@@H](C)CC)CC1 ZINC001567749606 961416285 /nfs/dbraw/zinc/41/62/85/961416285.db2.gz JPJYZIAOUZGVFO-HNNXBMFYSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)C2CCC2)C1 ZINC001567736421 961416872 /nfs/dbraw/zinc/41/68/72/961416872.db2.gz UZYSKKLOORYZNO-HNNXBMFYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[NH+]1CC(NC(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001567813578 961435674 /nfs/dbraw/zinc/43/56/74/961435674.db2.gz IXGDIEFLHQETMV-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO CN(C(=O)C#CC(C)(C)C)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001567912095 961451681 /nfs/dbraw/zinc/45/16/81/961451681.db2.gz TVVGXMVBKXLSRB-OAHLLOKOSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CC[N@H+](C)C[C@H](C)NC(=O)CC/C=C/c1ccccc1 ZINC001569137637 961698825 /nfs/dbraw/zinc/69/88/25/961698825.db2.gz GDUIANYPHYUEMD-RCLKMUNOSA-N 1 1 286.419 3.103 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)c1ccsc1 ZINC001569138443 961701467 /nfs/dbraw/zinc/70/14/67/961701467.db2.gz UMRJORCMRUYSJV-KGLIPLIRSA-N 1 1 294.464 3.254 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)c1cc(C)oc1C ZINC001569346084 961738559 /nfs/dbraw/zinc/73/85/59/961738559.db2.gz AXIOKEOTGGSMMV-WFASDCNBSA-N 1 1 290.407 3.055 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1CC[N@H+]1CCC1CCCC1 ZINC001569360218 961742293 /nfs/dbraw/zinc/74/22/93/961742293.db2.gz VRQBZFNGYNFBFZ-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[NH+]1CC(N(C)C(=O)c2ccc(Cl)s2)C1 ZINC001569505751 961786933 /nfs/dbraw/zinc/78/69/33/961786933.db2.gz HUMKMAWQEIPTDF-UHFFFAOYSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CCCCC(=O)N[C@@]1(C)CC[N@H+](CCCC(C)C)C1 ZINC001569646835 961807110 /nfs/dbraw/zinc/80/71/10/961807110.db2.gz SKYSMSJVLGESMT-KRWDZBQOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC23CC3)C1 ZINC001569647367 961807612 /nfs/dbraw/zinc/80/76/12/961807612.db2.gz DWEWSUALQWTWKL-DOTOQJQBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@](C)(CNC(=O)CCCF)C1 ZINC001569718855 961828686 /nfs/dbraw/zinc/82/86/86/961828686.db2.gz BCGLSXNPYREVKI-NVXWUHKLSA-N 1 1 298.446 3.309 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)CCC(C)C)C1 ZINC001569710535 961829540 /nfs/dbraw/zinc/82/95/40/961829540.db2.gz VFXYFHOMUHZSSE-QGZVFWFLSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@@]1(C)CCC[N@@H+](CCCF)C1 ZINC001569720019 961835036 /nfs/dbraw/zinc/83/50/36/961835036.db2.gz QABUHYSQBWDBTH-DOTOQJQBSA-N 1 1 298.446 3.167 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)CC2(C)CC2)CC1 ZINC001570179452 961913796 /nfs/dbraw/zinc/91/37/96/961913796.db2.gz ODSBLRSYUXECRD-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@H+](C)CCCN(C)C(=O)C(C)=C1CCC1 ZINC001570196468 961929134 /nfs/dbraw/zinc/92/91/34/961929134.db2.gz IANXOZDOCBWOFQ-UHFFFAOYSA-N 1 1 278.440 3.233 20 30 CGEDMO CC#CCCCC(=O)N[C@H]1CC[N@H+](CCCCC)[C@@H](C)C1 ZINC001570441634 961966840 /nfs/dbraw/zinc/96/68/40/961966840.db2.gz WQVRIEHUEMJGQE-IRXDYDNUSA-N 1 1 292.467 3.339 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[N@@H+](CC(=C)C)[C@H](C)C1 ZINC001570437518 961968045 /nfs/dbraw/zinc/96/80/45/961968045.db2.gz NXRNUUZWWHCEOR-CABCVRRESA-N 1 1 278.440 3.134 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](CCCCCF)[C@@H](C)C1 ZINC001570439996 961969553 /nfs/dbraw/zinc/96/95/53/961969553.db2.gz HBANPJPWIQHOHZ-GJZGRUSLSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CC[N@H+](CC)CC1CCN(C(=O)/C=C(/C)C2CC2)CC1 ZINC001570499783 961980369 /nfs/dbraw/zinc/98/03/69/961980369.db2.gz DEYYMEFYSRGYFS-SQFISAMPSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C)C1CCCC1 ZINC001570544149 962000556 /nfs/dbraw/zinc/00/05/56/962000556.db2.gz RKGCEJGNDOVAID-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC(=O)NC[C@H](C)[N@@H+](C)[C@H](C)c1cccc(C)c1 ZINC001570700898 962042246 /nfs/dbraw/zinc/04/22/46/962042246.db2.gz YHLUZRBPKNSQFK-JKSUJKDBSA-N 1 1 288.435 3.459 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@@H](C)[N@@H+](C)CC1CCCC1 ZINC001570729877 962052193 /nfs/dbraw/zinc/05/21/93/962052193.db2.gz GDDDISXFISWRBF-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H](C)[N@H+](C)CCCC(C)C)C1 ZINC001570734129 962055172 /nfs/dbraw/zinc/05/51/72/962055172.db2.gz NMPQQDKCVGLQEY-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@H](C)[N@@H+](C)CC1CCCC1 ZINC001570714373 962058957 /nfs/dbraw/zinc/05/89/57/962058957.db2.gz MWWGAHWHNRXEHJ-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)c1cc(Cl)ccc1C ZINC001570744466 962067792 /nfs/dbraw/zinc/06/77/92/962067792.db2.gz SALHYPVMGYVYGM-ZDUSSCGKSA-N 1 1 294.826 3.275 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001570740549 962076967 /nfs/dbraw/zinc/07/69/67/962076967.db2.gz QXKAHTWGLQZUNW-ZQIUZPCESA-N 1 1 280.456 3.071 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001570753486 962077389 /nfs/dbraw/zinc/07/73/89/962077389.db2.gz KQFOYZGZBBVRQI-RWBZWWBESA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)[C@H](C)c1ccccc1 ZINC001570747147 962077926 /nfs/dbraw/zinc/07/79/26/962077926.db2.gz CKUVMPXJMOXCNE-HZPDHXFCSA-N 1 1 288.435 3.193 20 30 CGEDMO C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)CC(C)=C(C)C ZINC001570825123 962094561 /nfs/dbraw/zinc/09/45/61/962094561.db2.gz MLDIULMMHKJMCV-KRWDZBQOSA-N 1 1 290.451 3.117 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)CC(C)C)C(C)(C)C1 ZINC001570907786 962107353 /nfs/dbraw/zinc/10/73/53/962107353.db2.gz OELBNARQUYCSLX-HZPDHXFCSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[C@H]2C[N@H+](CCCC)C[C@H]2C1 ZINC001571023630 962117843 /nfs/dbraw/zinc/11/78/43/962117843.db2.gz RJKAHAYIRVTGJX-ARFHVFGLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)CCCC)[C@H]1C ZINC001571515604 962165172 /nfs/dbraw/zinc/16/51/72/962165172.db2.gz ULFIGEGTWITITN-CABCVRRESA-N 1 1 266.429 3.112 20 30 CGEDMO C=CCCC[N@H+]1CC[C@]2(NC(=O)/C(C)=C/C)CCC[C@H]12 ZINC001571498354 962165914 /nfs/dbraw/zinc/16/59/14/962165914.db2.gz CGFMNMWHZWJPLU-GZVATQNTSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)CC(C)(C)C)[C@H]1C ZINC001571515552 962166675 /nfs/dbraw/zinc/16/66/75/962166675.db2.gz UAPKZHDTVHYXLQ-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)/C(C)=C\CC)CCC[C@@H]12 ZINC001571497809 962170410 /nfs/dbraw/zinc/17/04/10/962170410.db2.gz WCPZBLPGUYCGIG-XDSGTIMXSA-N 1 1 296.842 3.208 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)/C(C)=C\CC)CCC[C@@H]12 ZINC001571497809 962170415 /nfs/dbraw/zinc/17/04/15/962170415.db2.gz WCPZBLPGUYCGIG-XDSGTIMXSA-N 1 1 296.842 3.208 20 30 CGEDMO C=CCCCCC[NH2+]C1(Cc2c[nH]nn2)CCCCC1 ZINC001575093112 962340564 /nfs/dbraw/zinc/34/05/64/962340564.db2.gz FPUYNAIBONZRRI-UHFFFAOYSA-N 1 1 276.428 3.386 20 30 CGEDMO CCc1cc(C)c(OC(=O)[C@H]([NH3+])CCCCC#N)c(C)c1 ZINC001578246811 962577932 /nfs/dbraw/zinc/57/79/32/962577932.db2.gz HCHYFZYPAUQIDK-OAHLLOKOSA-N 1 1 288.391 3.183 20 30 CGEDMO C=CC[N@H+](CC/C=C/CC)Cc1cccc(-c2nn[nH]n2)c1 ZINC001588632196 963289447 /nfs/dbraw/zinc/28/94/47/963289447.db2.gz MXIRYGKFYXFAQU-AATRIKPKSA-N 1 1 297.406 3.211 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2nccnc2C)CCCC1(C)C ZINC000621725442 349567704 /nfs/dbraw/zinc/56/77/04/349567704.db2.gz OQKNUVYBZAYQQM-OAHLLOKOSA-N 1 1 259.397 3.352 20 30 CGEDMO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)c2noc(COCC)n2)C1 ZINC000651814224 398291988 /nfs/dbraw/zinc/29/19/88/398291988.db2.gz NNRCGOJGGKEGBX-UPJWGTAASA-N 1 1 279.384 3.002 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)cc1 ZINC000652062469 398322039 /nfs/dbraw/zinc/32/20/39/398322039.db2.gz KUCJCLAQTTUTSU-OAHLLOKOSA-N 1 1 279.330 3.483 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@]3(CCOC3)C2)cc1 ZINC000590762911 346872518 /nfs/dbraw/zinc/87/25/18/346872518.db2.gz ISHWIMPXJGHBLN-LJQANCHMSA-N 1 1 298.430 3.490 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@H](CO)CC(C)(C)C ZINC000590761594 346872797 /nfs/dbraw/zinc/87/27/97/346872797.db2.gz XEHFNHUYVJVVTC-INIZCTEOSA-N 1 1 274.408 3.096 20 30 CGEDMO C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)c1ccc(C#N)c(F)c1 ZINC000590779986 346875889 /nfs/dbraw/zinc/87/58/89/346875889.db2.gz VEEHFXABEIEIRU-JRPNMDOOSA-N 1 1 284.338 3.250 20 30 CGEDMO COC(=O)C[C@H]1CCCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000591012802 346894121 /nfs/dbraw/zinc/89/41/21/346894121.db2.gz CTXZXGPPAKPRDH-OAHLLOKOSA-N 1 1 292.423 3.268 20 30 CGEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@H](C2CCC2)C1 ZINC000591062055 346897523 /nfs/dbraw/zinc/89/75/23/346897523.db2.gz SVUIACATBDDJLJ-INIZCTEOSA-N 1 1 297.402 3.009 20 30 CGEDMO CC[C@H](NC[C@@H]([NH3+])c1ccccc1)c1ccc(C#N)cc1 ZINC000423237333 529611478 /nfs/dbraw/zinc/61/14/78/529611478.db2.gz IHMAVFRVUOBFBR-MSOLQXFVSA-N 1 1 279.387 3.299 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@H](CC(F)(F)F)C2)ccn1 ZINC000591475763 346926830 /nfs/dbraw/zinc/92/68/30/346926830.db2.gz YUEJVMLEPMBATR-GFCCVEGCSA-N 1 1 283.297 3.118 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)ccn1 ZINC000591475763 346926833 /nfs/dbraw/zinc/92/68/33/346926833.db2.gz YUEJVMLEPMBATR-GFCCVEGCSA-N 1 1 283.297 3.118 20 30 CGEDMO CCC[N@H+](Cc1ccccc1)Cc1ccncc1C#N ZINC000592055673 346958146 /nfs/dbraw/zinc/95/81/46/346958146.db2.gz OYIZYZIEURWPFP-UHFFFAOYSA-N 1 1 265.360 3.365 20 30 CGEDMO CCC[N@@H+](Cc1ccccc1)Cc1ccncc1C#N ZINC000592055673 346958148 /nfs/dbraw/zinc/95/81/48/346958148.db2.gz OYIZYZIEURWPFP-UHFFFAOYSA-N 1 1 265.360 3.365 20 30 CGEDMO N#Cc1cnccc1C[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000592061080 346958543 /nfs/dbraw/zinc/95/85/43/346958543.db2.gz STHGENIXYZDPNY-KRWDZBQOSA-N 1 1 269.392 3.498 20 30 CGEDMO CC[C@@H]([NH2+]Cc1ccncc1C#N)c1ccccc1 ZINC000592091716 346962205 /nfs/dbraw/zinc/96/22/05/346962205.db2.gz BCTZXMLJSRPYTF-MRXNPFEDSA-N 1 1 251.333 3.194 20 30 CGEDMO CCOc1cccc([C@H](C)[NH2+]Cc2ccncc2C#N)c1 ZINC000592091737 346962583 /nfs/dbraw/zinc/96/25/83/346962583.db2.gz BMVDRMNPNAFWTE-ZDUSSCGKSA-N 1 1 281.359 3.203 20 30 CGEDMO Cc1ccc(C[C@H]2CCC[N@H+]2Cc2ccncc2C#N)cc1 ZINC000592070861 346960462 /nfs/dbraw/zinc/96/04/62/346960462.db2.gz RQFJLVLXWRLKOO-LJQANCHMSA-N 1 1 291.398 3.469 20 30 CGEDMO CC(C)[N@@H+](CCCC#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000592154418 346967602 /nfs/dbraw/zinc/96/76/02/346967602.db2.gz QMDWGAHIAOZORF-SFHVURJKSA-N 1 1 285.435 3.275 20 30 CGEDMO CC(C)N(CCCC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000592154418 346967604 /nfs/dbraw/zinc/96/76/04/346967604.db2.gz QMDWGAHIAOZORF-SFHVURJKSA-N 1 1 285.435 3.275 20 30 CGEDMO CC(C)N(CCCC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000592154418 346967606 /nfs/dbraw/zinc/96/76/06/346967606.db2.gz QMDWGAHIAOZORF-SFHVURJKSA-N 1 1 285.435 3.275 20 30 CGEDMO Cc1cnccc1CC[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000592126537 346965157 /nfs/dbraw/zinc/96/51/57/346965157.db2.gz XGAHBYURRWPJFR-HNNXBMFYSA-N 1 1 279.387 3.497 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CC2(CCCC2)O1 ZINC000592187857 346970286 /nfs/dbraw/zinc/97/02/86/346970286.db2.gz MBDXLNFVWPFDNB-AWEZNQCLSA-N 1 1 270.376 3.092 20 30 CGEDMO C[N@@H+](CCCCNc1cc(Cl)ccc1C#N)C1CC1 ZINC000413350194 529884354 /nfs/dbraw/zinc/88/43/54/529884354.db2.gz VQDCKBNVOQTUOH-UHFFFAOYSA-N 1 1 277.799 3.498 20 30 CGEDMO C[N@H+](CCCc1ccccc1)Cc1nc(C#N)cs1 ZINC000356065268 529897051 /nfs/dbraw/zinc/89/70/51/529897051.db2.gz ZOAFCBSNNQWSIX-UHFFFAOYSA-N 1 1 271.389 3.079 20 30 CGEDMO C[N@@H+](CCCc1ccccc1)Cc1nc(C#N)cs1 ZINC000356065268 529897053 /nfs/dbraw/zinc/89/70/53/529897053.db2.gz ZOAFCBSNNQWSIX-UHFFFAOYSA-N 1 1 271.389 3.079 20 30 CGEDMO C=CCc1cc(C[N@@H+](CC)CCSC)cc(OC)c1O ZINC000592530078 346997745 /nfs/dbraw/zinc/99/77/45/346997745.db2.gz VZGKAQYKNZCMRJ-UHFFFAOYSA-N 1 1 295.448 3.314 20 30 CGEDMO N#Cc1cccc(OCCC[N@H+]2CCC23CCCC3)c1 ZINC000593039538 347030846 /nfs/dbraw/zinc/03/08/46/347030846.db2.gz QWXLJLYRKHAFNH-UHFFFAOYSA-N 1 1 270.376 3.346 20 30 CGEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCC34CCCC4)o2)c1 ZINC000593038757 347030989 /nfs/dbraw/zinc/03/09/89/347030989.db2.gz KHDCGIYUZGKYQK-UHFFFAOYSA-N 1 1 294.358 3.127 20 30 CGEDMO C[C@@]1(c2cccc(F)c2)CC[N@@H+](CCCSCC#N)C1 ZINC000593046578 347031982 /nfs/dbraw/zinc/03/19/82/347031982.db2.gz OYAALWSWOPHZKH-MRXNPFEDSA-N 1 1 292.423 3.436 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CC[C@](C)(c2cccc(F)c2)C1 ZINC000593041354 347032038 /nfs/dbraw/zinc/03/20/38/347032038.db2.gz RZHHEENKFWJVQQ-CJNGLKHVSA-N 1 1 260.356 3.481 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@H]1CN1Cc2cccc(C#N)c2C1 ZINC000593127725 347043755 /nfs/dbraw/zinc/04/37/55/347043755.db2.gz UXEUICXEPXKEII-KRWDZBQOSA-N 1 1 283.419 3.137 20 30 CGEDMO COCC[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CC=CCC1 ZINC000351598108 219139368 /nfs/dbraw/zinc/13/93/68/219139368.db2.gz IKPJMDIVNBPMEI-MRXNPFEDSA-N 1 1 284.403 3.363 20 30 CGEDMO CCC[N@H+](Cc1cnc2ccc(C#N)cn12)CC(C)C ZINC000351609403 219145720 /nfs/dbraw/zinc/14/57/20/219145720.db2.gz UEDXRMZZMVWHGF-UHFFFAOYSA-N 1 1 270.380 3.074 20 30 CGEDMO CC(C)c1ccc(CN2CC[NH+](CCCC#N)CC2)cc1 ZINC000049967910 345076437 /nfs/dbraw/zinc/07/64/37/345076437.db2.gz RNADLKJIAGURKT-UHFFFAOYSA-N 1 1 285.435 3.231 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+](Cc1ccccc1)C(C)C ZINC000052877091 345109577 /nfs/dbraw/zinc/10/95/77/345109577.db2.gz OWVSHVJYMGGOOI-UHFFFAOYSA-N 1 1 286.419 3.098 20 30 CGEDMO COc1ccc(OC)c([C@H]2CCC[N@H+]2CCCC#N)c1 ZINC000053099155 345114674 /nfs/dbraw/zinc/11/46/74/345114674.db2.gz PQWLUHGIYJYIBK-OAHLLOKOSA-N 1 1 274.364 3.144 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(C)(C)C#N)cc2)C1 ZINC000055410186 345148183 /nfs/dbraw/zinc/14/81/83/345148183.db2.gz QIXUJFRAPFDOJX-CQSZACIVSA-N 1 1 299.418 3.407 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCCNc1ccc(C#N)cc1 ZINC000019867559 232170850 /nfs/dbraw/zinc/17/08/50/232170850.db2.gz SRJVPJUKHJHPSU-CQSZACIVSA-N 1 1 257.381 3.235 20 30 CGEDMO CCC1CCC([N@@H+](C)Cc2ccnc(C#N)c2)CC1 ZINC000068766151 345361645 /nfs/dbraw/zinc/36/16/45/345361645.db2.gz FKTLJTIZSAWYHK-UHFFFAOYSA-N 1 1 257.381 3.354 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)CCc2ccncc2)cc1 ZINC000072589657 345413585 /nfs/dbraw/zinc/41/35/85/345413585.db2.gz DSPBCDJACGBMRG-UHFFFAOYSA-N 1 1 282.387 3.321 20 30 CGEDMO CC1CCC([N@@H+](CCCC#N)C[C@@H]2CCCO2)CC1 ZINC000075833923 345524018 /nfs/dbraw/zinc/52/40/18/345524018.db2.gz FJVVWAARIPYFCH-GPANFISMSA-N 1 1 264.413 3.350 20 30 CGEDMO CC(C)CC[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075643213 345517168 /nfs/dbraw/zinc/51/71/68/345517168.db2.gz MIJJKILZOGKCHH-UHFFFAOYSA-N 1 1 284.363 3.086 20 30 CGEDMO N#Cc1c(F)cccc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000077994896 345588250 /nfs/dbraw/zinc/58/82/50/345588250.db2.gz UYCCXBLVUYJDFK-UHFFFAOYSA-N 1 1 287.382 3.152 20 30 CGEDMO C[C@@H]1CCCC[C@H]1OCC[N@H+](CCC#N)CC1CC1 ZINC000081514732 345711725 /nfs/dbraw/zinc/71/17/25/345711725.db2.gz VNZCAGHTLWPSTF-GDBMZVCRSA-N 1 1 264.413 3.207 20 30 CGEDMO C[C@@H]1CCCC[C@H]1OCC[N@@H+](CCC#N)CC1CC1 ZINC000081514732 345711726 /nfs/dbraw/zinc/71/17/26/345711726.db2.gz VNZCAGHTLWPSTF-GDBMZVCRSA-N 1 1 264.413 3.207 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2[C@H](C)CC[C@@H]2C)c1C#N ZINC000091072050 345802747 /nfs/dbraw/zinc/80/27/47/345802747.db2.gz XBGMWBLFXVEYKP-OKILXGFUSA-N 1 1 294.402 3.425 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2[C@H](C)CC[C@@H]2C)c1C#N ZINC000091072050 345802749 /nfs/dbraw/zinc/80/27/49/345802749.db2.gz XBGMWBLFXVEYKP-OKILXGFUSA-N 1 1 294.402 3.425 20 30 CGEDMO N#Cc1ccc(C[N@H+](CCCO)[C@@H]2CCc3ccccc32)o1 ZINC000093389038 345877551 /nfs/dbraw/zinc/87/75/51/345877551.db2.gz BATBPQIETQKEGU-GOSISDBHSA-N 1 1 296.370 3.023 20 30 CGEDMO CC(C)[C@H](CO)[N@@H+](Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000093529887 345882927 /nfs/dbraw/zinc/88/29/27/345882927.db2.gz YIYYHSKXQYJTFQ-SFHVURJKSA-N 1 1 298.386 3.170 20 30 CGEDMO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)o2)cc1[N+](=O)[O-] ZINC000175061797 232311775 /nfs/dbraw/zinc/31/17/75/232311775.db2.gz CTSRFWGHKKNUIJ-LLVKDONJSA-N 1 1 285.303 3.219 20 30 CGEDMO CSCC[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1C ZINC000165509728 346184781 /nfs/dbraw/zinc/18/47/81/346184781.db2.gz PNSQUQMUTBXXRA-ZDUSSCGKSA-N 1 1 262.422 3.440 20 30 CGEDMO C=CCc1cc(C[N@H+]2CC[C@H](SC)C2)cc(OC)c1O ZINC000295017157 346433663 /nfs/dbraw/zinc/43/36/63/346433663.db2.gz KEZCRXMSOKVEAX-AWEZNQCLSA-N 1 1 293.432 3.067 20 30 CGEDMO C[C@@H]1CCN(CC2(CC#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000383107804 346561756 /nfs/dbraw/zinc/56/17/56/346561756.db2.gz KVDMHJVZYCHQFC-QGZVFWFLSA-N 1 1 297.446 3.277 20 30 CGEDMO C[C@@H]1CC[N@H+](CC2(CC#N)CC2)CCN1Cc1ccccc1 ZINC000383107804 346561759 /nfs/dbraw/zinc/56/17/59/346561759.db2.gz KVDMHJVZYCHQFC-QGZVFWFLSA-N 1 1 297.446 3.277 20 30 CGEDMO C[C@@H]1CC[N@@H+](CC2(CC#N)CC2)CCN1Cc1ccccc1 ZINC000383107804 346561760 /nfs/dbraw/zinc/56/17/60/346561760.db2.gz KVDMHJVZYCHQFC-QGZVFWFLSA-N 1 1 297.446 3.277 20 30 CGEDMO N#CC1(C[NH2+]Cc2cc3cccnc3o2)CCCC1 ZINC000593655114 347101210 /nfs/dbraw/zinc/10/12/10/347101210.db2.gz WVZBAPZMGCJAQH-UHFFFAOYSA-N 1 1 255.321 3.001 20 30 CGEDMO COc1c(C)c[nH+]c(CN2Cc3cccc(C#N)c3C2)c1C ZINC000405192650 346603674 /nfs/dbraw/zinc/60/36/74/346603674.db2.gz YWHXKSHXLKBKGF-UHFFFAOYSA-N 1 1 293.370 3.095 20 30 CGEDMO Cc1cc(C#N)cc(N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000587455064 346742579 /nfs/dbraw/zinc/74/25/79/346742579.db2.gz YVKPVCYRAZMLKT-GUTXKFCHSA-N 1 1 286.423 3.040 20 30 CGEDMO N#Cc1cccc(OCCC[N@H+]2CCC[C@H](C3CC3)C2)c1 ZINC000588978056 346779482 /nfs/dbraw/zinc/77/94/82/346779482.db2.gz OYMZYYXWTPZEKW-KRWDZBQOSA-N 1 1 284.403 3.449 20 30 CGEDMO Cc1csc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)n1 ZINC000594031608 347139859 /nfs/dbraw/zinc/13/98/59/347139859.db2.gz JKDKIXLERCIBRB-UHFFFAOYSA-N 1 1 283.400 3.492 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)cn1)[C@@H]1CCCC[C@H]1C ZINC000593976457 347128177 /nfs/dbraw/zinc/12/81/77/347128177.db2.gz PKACHXZRILKDAT-CZUORRHYSA-N 1 1 257.381 3.354 20 30 CGEDMO CC(C)(C#N)c1ccc(CNCCC[NH+]2CCCCC2)cc1 ZINC000594493062 347177502 /nfs/dbraw/zinc/17/75/02/347177502.db2.gz FXPBXXTWSMZYCL-UHFFFAOYSA-N 1 1 299.462 3.453 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCSc2ccncc2C#N)C1 ZINC000594913672 347228076 /nfs/dbraw/zinc/22/80/76/347228076.db2.gz AVVXPPLSJKLWEW-BETUJISGSA-N 1 1 275.421 3.023 20 30 CGEDMO CC(C)C[C@H](CNCc1ccc(C2(C#N)CC2)cc1)[NH+](C)C ZINC000594915644 347228739 /nfs/dbraw/zinc/22/87/39/347228739.db2.gz VISHCHDFPQBCCE-GOSISDBHSA-N 1 1 299.462 3.308 20 30 CGEDMO CCN(C)c1ccc(C[NH2+]CC2(C#N)CCCCC2)cn1 ZINC000594981457 347248717 /nfs/dbraw/zinc/24/87/17/347248717.db2.gz QNYCHBNAUQFCDT-UHFFFAOYSA-N 1 1 286.423 3.101 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCO[C@H](C)C1 ZINC000595288983 347286492 /nfs/dbraw/zinc/28/64/92/347286492.db2.gz ABXPANLVALEYCB-RHSMWYFYSA-N 1 1 272.392 3.338 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](CCc2ccc(C#N)cc2)CCS1 ZINC000595330291 347293190 /nfs/dbraw/zinc/29/31/90/347293190.db2.gz IIFQGQUCIKAUDP-INIZCTEOSA-N 1 1 274.433 3.174 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCS[C@@H]3CCCC[C@@H]32)cc1 ZINC000595337915 347293622 /nfs/dbraw/zinc/29/36/22/347293622.db2.gz DFXKOTIGRSWZQM-DLBZAZTESA-N 1 1 286.444 3.461 20 30 CGEDMO N#Cc1ccc(CC[N@@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000595344290 347294613 /nfs/dbraw/zinc/29/46/13/347294613.db2.gz LJZDHKWATICILS-QGZVFWFLSA-N 1 1 298.411 3.236 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000595344290 347294614 /nfs/dbraw/zinc/29/46/14/347294614.db2.gz LJZDHKWATICILS-QGZVFWFLSA-N 1 1 298.411 3.236 20 30 CGEDMO COc1cccc(SCC[N@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000595390517 347297980 /nfs/dbraw/zinc/29/79/80/347297980.db2.gz XKPLZGAKZRGXQM-ZDUSSCGKSA-N 1 1 290.432 3.411 20 30 CGEDMO COc1cccc(SCC[N@@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000595390517 347297982 /nfs/dbraw/zinc/29/79/82/347297982.db2.gz XKPLZGAKZRGXQM-ZDUSSCGKSA-N 1 1 290.432 3.411 20 30 CGEDMO CC[C@@H](C)[N@@H+](CC)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000595600207 347324228 /nfs/dbraw/zinc/32/42/28/347324228.db2.gz OALWOUCCBWUTNL-LLVKDONJSA-N 1 1 293.798 3.271 20 30 CGEDMO CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595611992 347327901 /nfs/dbraw/zinc/32/79/01/347327901.db2.gz RASJQOPHDWCAMS-LSDHHAIUSA-N 1 1 299.418 3.202 20 30 CGEDMO CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595611992 347327903 /nfs/dbraw/zinc/32/79/03/347327903.db2.gz RASJQOPHDWCAMS-LSDHHAIUSA-N 1 1 299.418 3.202 20 30 CGEDMO CC1(C)C[C@H]([N@H+](Cc2ccccc2)CC2(C#N)CC2)CO1 ZINC000595636900 347330893 /nfs/dbraw/zinc/33/08/93/347330893.db2.gz KBZRICWOQOYYDW-INIZCTEOSA-N 1 1 284.403 3.360 20 30 CGEDMO CC1(C)C[C@H]([N@@H+](Cc2ccccc2)CC2(C#N)CC2)CO1 ZINC000595636900 347330895 /nfs/dbraw/zinc/33/08/95/347330895.db2.gz KBZRICWOQOYYDW-INIZCTEOSA-N 1 1 284.403 3.360 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@H](C3CCCCC3)C2)ccn1 ZINC000595731644 347348834 /nfs/dbraw/zinc/34/88/34/347348834.db2.gz AZCBMFKVNUPCSU-INIZCTEOSA-N 1 1 269.392 3.355 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595750348 347349453 /nfs/dbraw/zinc/34/94/53/347349453.db2.gz MAKIGHFMDYGTSO-IBGZPJMESA-N 1 1 298.430 3.225 20 30 CGEDMO N#Cc1c(C[N@@H+]2CCC[C@H](CCF)C2)cn2ccccc12 ZINC000595755140 347350183 /nfs/dbraw/zinc/35/01/83/347350183.db2.gz HCBLVIHARZWLEZ-CQSZACIVSA-N 1 1 285.366 3.383 20 30 CGEDMO COc1ccc2c(c1)CC[N@H+](Cc1ccc(CC#N)cc1)C2 ZINC000595759235 347351749 /nfs/dbraw/zinc/35/17/49/347351749.db2.gz KOXGIJVYIFZMMC-UHFFFAOYSA-N 1 1 292.382 3.320 20 30 CGEDMO COc1cccc([C@]2(C)CC[N@H+]([C@H](C)CCC#N)C2)c1 ZINC000595764439 347352557 /nfs/dbraw/zinc/35/25/57/347352557.db2.gz ISZDFSKUWVWKFB-RHSMWYFYSA-N 1 1 272.392 3.351 20 30 CGEDMO C=CC[N@H+](Cc1cc(C)c(C(=O)OC)o1)C(C)(C)C ZINC000595763360 347352712 /nfs/dbraw/zinc/35/27/12/347352712.db2.gz OTUSBRGADVZJOL-UHFFFAOYSA-N 1 1 265.353 3.161 20 30 CGEDMO CCn1ccc(C[N@@H+](C)CCc2ccc(C#N)cc2)c1 ZINC000595454134 347305978 /nfs/dbraw/zinc/30/59/78/347305978.db2.gz IJXIAPGHTPOFRQ-UHFFFAOYSA-N 1 1 267.376 3.054 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3C[C@H]3C2)c(OC(F)F)c1 ZINC000595805998 347357443 /nfs/dbraw/zinc/35/74/43/347357443.db2.gz CTIDPKBHEDUYEQ-AAEUAGOBSA-N 1 1 278.302 3.001 20 30 CGEDMO Cc1cc(NCCCCF)c(C#N)c(NCCCCF)[nH+]1 ZINC000596242060 347403501 /nfs/dbraw/zinc/40/35/01/347403501.db2.gz PFAXXYAMYWRZSM-UHFFFAOYSA-N 1 1 296.365 3.007 20 30 CGEDMO CN(c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000595826765 347361588 /nfs/dbraw/zinc/36/15/88/347361588.db2.gz OVJOWEVXFPYDQG-LJQANCHMSA-N 1 1 291.398 3.269 20 30 CGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1[C@@H]2CC[C@H]1CC(C)C2 ZINC000595858511 347368290 /nfs/dbraw/zinc/36/82/90/347368290.db2.gz WPYGYWLMAQJYEB-JFOKOBIRSA-N 1 1 297.402 3.148 20 30 CGEDMO C[N@@H+](C[C@@H](C#N)CCC#N)C[C@H]1CCc2ccccc21 ZINC000595876082 347368821 /nfs/dbraw/zinc/36/88/21/347368821.db2.gz CTJOKORNMOWOBK-GDBMZVCRSA-N 1 1 267.376 3.092 20 30 CGEDMO CC[N@@H+](CCOc1ccccc1OC)[C@@H](C)CCC#N ZINC000595884430 347370046 /nfs/dbraw/zinc/37/00/46/347370046.db2.gz FNKCAHLUWZKTDR-AWEZNQCLSA-N 1 1 276.380 3.088 20 30 CGEDMO CCc1nocc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000351823134 219216549 /nfs/dbraw/zinc/21/65/49/219216549.db2.gz CKXDSZUCDFECMJ-UHFFFAOYSA-N 1 1 293.370 3.398 20 30 CGEDMO C[N@@H+](Cc1ccco1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596979143 347523701 /nfs/dbraw/zinc/52/37/01/347523701.db2.gz FTDGNULNCHLNRE-UHFFFAOYSA-N 1 1 266.344 3.467 20 30 CGEDMO N#CC1(c2ccc(C[N@H+](CCO)C3CCCCC3)cc2)CC1 ZINC000596986888 347524482 /nfs/dbraw/zinc/52/44/82/347524482.db2.gz XWACAVJXRRRZIX-UHFFFAOYSA-N 1 1 298.430 3.369 20 30 CGEDMO CCCOc1ccc(C[N@H+](C)C[C@@H](C)C#N)c(C)c1 ZINC000596992445 347525431 /nfs/dbraw/zinc/52/54/31/347525431.db2.gz SENLXEJPAWWGON-ZDUSSCGKSA-N 1 1 260.381 3.375 20 30 CGEDMO CCCOc1ccc(C[N@@H+](C)C[C@@H](C)C#N)c(C)c1 ZINC000596992445 347525435 /nfs/dbraw/zinc/52/54/35/347525435.db2.gz SENLXEJPAWWGON-ZDUSSCGKSA-N 1 1 260.381 3.375 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597012634 347527130 /nfs/dbraw/zinc/52/71/30/347527130.db2.gz XNJVYPNLYSHAFU-UONOGXRCSA-N 1 1 254.377 3.472 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000597178248 347545258 /nfs/dbraw/zinc/54/52/58/347545258.db2.gz WPMZSHPFGDPONC-ZDUSSCGKSA-N 1 1 286.404 3.059 20 30 CGEDMO COCC(C)(C)[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597128504 347537887 /nfs/dbraw/zinc/53/78/87/347537887.db2.gz AMGZYCKKBOSOIF-UHFFFAOYSA-N 1 1 272.392 3.099 20 30 CGEDMO COC[C@@]1(C)CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597135084 347538912 /nfs/dbraw/zinc/53/89/12/347538912.db2.gz NKDZQSZTSNJJPH-KRWDZBQOSA-N 1 1 284.403 3.100 20 30 CGEDMO N#CC1(c2ccc(C[N@@H+]3CC[C@H](O)C34CCCC4)cc2)CC1 ZINC000597136121 347539134 /nfs/dbraw/zinc/53/91/34/347539134.db2.gz RSLHLBVYQLBZAK-KRWDZBQOSA-N 1 1 296.414 3.121 20 30 CGEDMO Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@](C)(C#N)C2)c1 ZINC000597228698 347557520 /nfs/dbraw/zinc/55/75/20/347557520.db2.gz GCKFLSXMYQQAGV-QGZVFWFLSA-N 1 1 280.375 3.121 20 30 CGEDMO Cc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC000597228698 347557523 /nfs/dbraw/zinc/55/75/23/347557523.db2.gz GCKFLSXMYQQAGV-QGZVFWFLSA-N 1 1 280.375 3.121 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000597230669 347558457 /nfs/dbraw/zinc/55/84/57/347558457.db2.gz TTXXMRBOHBAXAH-HNNXBMFYSA-N 1 1 280.318 3.066 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000597230669 347558460 /nfs/dbraw/zinc/55/84/60/347558460.db2.gz TTXXMRBOHBAXAH-HNNXBMFYSA-N 1 1 280.318 3.066 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CC(C)(C)CC[C@H]1CO ZINC000598646528 347674673 /nfs/dbraw/zinc/67/46/73/347674673.db2.gz GJCGOTYUAWMPEV-AWEZNQCLSA-N 1 1 266.429 3.189 20 30 CGEDMO C[C@@H](NC[C@H]1CCCC[N@@H+](C)C1)c1ccc(C#N)cc1F ZINC000599068610 347713817 /nfs/dbraw/zinc/71/38/17/347713817.db2.gz AEENWWPTIXENEO-UKRRQHHQSA-N 1 1 289.398 3.080 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@@H+](C1CC1)C1CCCCC1 ZINC000598586028 347666547 /nfs/dbraw/zinc/66/65/47/347666547.db2.gz NHFIUOXLCRZOFH-OAHLLOKOSA-N 1 1 264.413 3.084 20 30 CGEDMO Cc1cccc([C@@H]2CCC[N@H+]2C[C@H](O)CC(C)(C)C#N)c1 ZINC000598586202 347666708 /nfs/dbraw/zinc/66/67/08/347666708.db2.gz QEMPGFCOWDSQEY-SJORKVTESA-N 1 1 286.419 3.433 20 30 CGEDMO CC[C@@H]1c2ccsc2CC[N@@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598585834 347666726 /nfs/dbraw/zinc/66/67/26/347666726.db2.gz KZOQUCIZYLWTKE-TZMCWYRMSA-N 1 1 292.448 3.358 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000598585230 347666731 /nfs/dbraw/zinc/66/67/31/347666731.db2.gz AKWGJHKNLKBIAQ-CVEARBPZSA-N 1 1 290.382 3.263 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@@H+](CC1CCCCC1)C1CC1 ZINC000598586214 347666758 /nfs/dbraw/zinc/66/67/58/347666758.db2.gz QLSCXOVMFSIKRI-INIZCTEOSA-N 1 1 278.440 3.332 20 30 CGEDMO C[C@H](c1ccccc1F)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598585442 347666854 /nfs/dbraw/zinc/66/68/54/347666854.db2.gz CXKPDUPZDDEGKJ-OLZOCXBDSA-N 1 1 278.371 3.119 20 30 CGEDMO CC(C)[N@H+](Cc1ccccc1F)C[C@@H](O)CC(C)(C)C#N ZINC000598587363 347666938 /nfs/dbraw/zinc/66/69/38/347666938.db2.gz RGLYEOILPKISCC-HNNXBMFYSA-N 1 1 292.398 3.337 20 30 CGEDMO Cc1ccc([C@H]2CCC[N@H+]2C[C@H](O)CC(C)(C)C#N)o1 ZINC000598592121 347667576 /nfs/dbraw/zinc/66/75/76/347667576.db2.gz FXHOANYYHBMFPA-ZIAGYGMSSA-N 1 1 276.380 3.026 20 30 CGEDMO CC(C)(C)C[C@@H]1CCC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598590851 347667794 /nfs/dbraw/zinc/66/77/94/347667794.db2.gz RIAOYAXSAYWVQM-KBPBESRZSA-N 1 1 266.429 3.188 20 30 CGEDMO CCc1ccc([C@H]2CCC[N@H+]2C[C@@H](O)CC(C)(C)C#N)o1 ZINC000598592294 347667807 /nfs/dbraw/zinc/66/78/07/347667807.db2.gz IZPSVRRFQZDFPD-DZGCQCFKSA-N 1 1 290.407 3.280 20 30 CGEDMO CCCCC[C@H]1CCC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598593054 347668413 /nfs/dbraw/zinc/66/84/13/347668413.db2.gz OOIRCYJVDPNIFC-LSDHHAIUSA-N 1 1 266.429 3.332 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCC3(CC3)CC2)cc1F ZINC000599672438 347763027 /nfs/dbraw/zinc/76/30/27/347763027.db2.gz DVLKBSABNNXFLR-UHFFFAOYSA-N 1 1 258.340 3.463 20 30 CGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCCC3(CC3)CC2)cc1 ZINC000599673283 347763399 /nfs/dbraw/zinc/76/33/99/347763399.db2.gz OAETYHSIYGCSKB-UHFFFAOYSA-N 1 1 297.402 3.153 20 30 CGEDMO C/C=C/C[C@@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000599689314 347766822 /nfs/dbraw/zinc/76/68/22/347766822.db2.gz IUZOUFMPEUGIEL-QAVQXKDTSA-N 1 1 261.394 3.193 20 30 CGEDMO C/C=C/C[C@@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000599689314 347766823 /nfs/dbraw/zinc/76/68/23/347766823.db2.gz IUZOUFMPEUGIEL-QAVQXKDTSA-N 1 1 261.394 3.193 20 30 CGEDMO C=CC[N@H+](CCCCC(=O)OC)Cc1ccccc1F ZINC000599270013 347730934 /nfs/dbraw/zinc/73/09/34/347730934.db2.gz ZNAFYFDYFOVTEC-UHFFFAOYSA-N 1 1 279.355 3.157 20 30 CGEDMO Cc1ccc(C[N@@H+](CCCO)CC(C)(C)C)cc1C#N ZINC000599294151 347732695 /nfs/dbraw/zinc/73/26/95/347732695.db2.gz ATALRSBLPNIZQF-UHFFFAOYSA-N 1 1 274.408 3.097 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)cc1C#N ZINC000599304054 347733573 /nfs/dbraw/zinc/73/35/73/347733573.db2.gz PKBNOTVFAFTWGN-STQMWFEESA-N 1 1 260.406 3.193 20 30 CGEDMO Cc1ccc(C[N@H+]2CCS[C@H](C)CC2)cc1C#N ZINC000599388604 347741214 /nfs/dbraw/zinc/74/12/14/347741214.db2.gz JSOCJMHWWZLNIP-CYBMUJFWSA-N 1 1 260.406 3.194 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC(F)(F)[C@H](C)C2)cc1C#N ZINC000599421646 347742967 /nfs/dbraw/zinc/74/29/67/347742967.db2.gz HGACSQDWZPJQBN-GFCCVEGCSA-N 1 1 264.319 3.344 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](C)O)cc1C#N ZINC000599416700 347743146 /nfs/dbraw/zinc/74/31/46/347743146.db2.gz WUQWBXFXZCUARI-CRAIPNDOSA-N 1 1 286.419 3.382 20 30 CGEDMO N#CC1(C[N@H+](Cc2ccccc2)C2(CO)CCCC2)CC1 ZINC000599431501 347743651 /nfs/dbraw/zinc/74/36/51/347743651.db2.gz IHWOKFDJTYXJLI-UHFFFAOYSA-N 1 1 284.403 3.097 20 30 CGEDMO CCO[C@H](C[N@@H+](C)[C@H](C)c1cccc(C#N)c1)C1CC1 ZINC000599440363 347745549 /nfs/dbraw/zinc/74/55/49/347745549.db2.gz QLUVMNDFUJMGTH-CXAGYDPISA-N 1 1 272.392 3.366 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)cc1C#N ZINC000599449955 347746462 /nfs/dbraw/zinc/74/64/62/347746462.db2.gz IAUBYSFNBNWBDW-AEFFLSMTSA-N 1 1 284.403 3.258 20 30 CGEDMO Cc1ccc(C[NH2+][C@H](C)c2cscn2)cc1C#N ZINC000599465779 347747206 /nfs/dbraw/zinc/74/72/06/347747206.db2.gz RDOLVTYTRYGZTK-LLVKDONJSA-N 1 1 257.362 3.174 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(C(=O)OC)cc2F)C1 ZINC000599526783 347750716 /nfs/dbraw/zinc/75/07/16/347750716.db2.gz SAQPSFAZRYUJSC-GFCCVEGCSA-N 1 1 277.339 3.010 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601977781 347931445 /nfs/dbraw/zinc/93/14/45/347931445.db2.gz TZGJUYRYCBANLW-GFCCVEGCSA-N 1 1 274.355 3.062 20 30 CGEDMO COCc1csc(C[NH2+]Cc2cccc(F)c2C#N)c1 ZINC000602027177 347934826 /nfs/dbraw/zinc/93/48/26/347934826.db2.gz FBAFXNQREFYWDB-UHFFFAOYSA-N 1 1 290.363 3.195 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)CCOc1ccc(F)cc1 ZINC000602437964 347957819 /nfs/dbraw/zinc/95/78/19/347957819.db2.gz ZUYIXGIBRVLQNA-CYBMUJFWSA-N 1 1 264.344 3.076 20 30 CGEDMO C=CC[N@H+](CCC[C@@H]1CCO1)Cc1cccc([N+](=O)[O-])c1 ZINC000602452201 347959992 /nfs/dbraw/zinc/95/99/92/347959992.db2.gz HNURBBWBRYSXCZ-MRXNPFEDSA-N 1 1 290.363 3.152 20 30 CGEDMO CCc1nc(C[N@@H+](C)C[C@@H](C)CCC#N)cs1 ZINC000602455296 347960938 /nfs/dbraw/zinc/96/09/38/347960938.db2.gz RQMANUDRIXQIRH-NSHDSACASA-N 1 1 251.399 3.077 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+]1CCC[C@H](N2[C@H](C)CC[C@H]2C)C1 ZINC000602456591 347961015 /nfs/dbraw/zinc/96/10/15/347961015.db2.gz ZTYAICKUTVMVOA-VQHPVUNQSA-N 1 1 277.456 3.263 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H](N2[C@H](C)CC[C@H]2C)C1 ZINC000602456591 347961018 /nfs/dbraw/zinc/96/10/18/347961018.db2.gz ZTYAICKUTVMVOA-VQHPVUNQSA-N 1 1 277.456 3.263 20 30 CGEDMO CO[C@](C)(C[N@@H+](CCC#N)CC(C)(C)C)C1CC1 ZINC000602464029 347961830 /nfs/dbraw/zinc/96/18/30/347961830.db2.gz AOKLTFGNCLVZEN-OAHLLOKOSA-N 1 1 252.402 3.063 20 30 CGEDMO CCS[C@H]1CCCC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602471754 347963856 /nfs/dbraw/zinc/96/38/56/347963856.db2.gz HSFSWRQECZHQDI-HNNXBMFYSA-N 1 1 275.421 3.061 20 30 CGEDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cccc(C#N)n1 ZINC000602473706 347963963 /nfs/dbraw/zinc/96/39/63/347963963.db2.gz ORIKFKGEYHZPKH-DVOMOZLQSA-N 1 1 255.365 3.106 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000602469236 347964288 /nfs/dbraw/zinc/96/42/88/347964288.db2.gz RRNKVHXSPFZWBF-IRXDYDNUSA-N 1 1 285.435 3.133 20 30 CGEDMO Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2cccc(C#N)n2)s1 ZINC000602478079 347965190 /nfs/dbraw/zinc/96/51/90/347965190.db2.gz ZWOPTDCSRKHTCM-LLVKDONJSA-N 1 1 286.404 3.220 20 30 CGEDMO Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cccc(C#N)n2)s1 ZINC000602478079 347965192 /nfs/dbraw/zinc/96/51/92/347965192.db2.gz ZWOPTDCSRKHTCM-LLVKDONJSA-N 1 1 286.404 3.220 20 30 CGEDMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1cccc(C#N)n1 ZINC000602477323 347965202 /nfs/dbraw/zinc/96/52/02/347965202.db2.gz JQBCCRAYLIWKEU-HIFRSBDPSA-N 1 1 295.361 3.470 20 30 CGEDMO Cc1nc(C)c([C@H](C)[N@@H+](C)CC2(CC#N)CC2)s1 ZINC000602777238 348027510 /nfs/dbraw/zinc/02/75/10/348027510.db2.gz UWVLFHIGYNCHJX-NSHDSACASA-N 1 1 263.410 3.447 20 30 CGEDMO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc(C#N)n2)o1 ZINC000602612429 347993929 /nfs/dbraw/zinc/99/39/29/347993929.db2.gz RJBZHIUZVDUJND-INIZCTEOSA-N 1 1 297.358 3.030 20 30 CGEDMO COCc1ccc([C@@H]2CCC[N@H+]2Cc2cccc(C#N)n2)o1 ZINC000602612429 347993930 /nfs/dbraw/zinc/99/39/30/347993930.db2.gz RJBZHIUZVDUJND-INIZCTEOSA-N 1 1 297.358 3.030 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000602659220 348002978 /nfs/dbraw/zinc/00/29/78/348002978.db2.gz PVZQYRMDFINYGT-GDBMZVCRSA-N 1 1 260.356 3.497 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H](C)CCC#N ZINC000602660672 348003692 /nfs/dbraw/zinc/00/36/92/348003692.db2.gz IGOABSQWYSPCAV-AWEZNQCLSA-N 1 1 276.380 3.090 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000602669583 348005032 /nfs/dbraw/zinc/00/50/32/348005032.db2.gz KGWOFJMGKDVAEI-UKRRQHHQSA-N 1 1 257.381 3.404 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](Cc2cccc(C#N)n2)[C@H]1C(C)C ZINC000602683043 348008147 /nfs/dbraw/zinc/00/81/47/348008147.db2.gz OTCCKCHMFLNFRY-CVEARBPZSA-N 1 1 257.381 3.066 20 30 CGEDMO CC(C)[C@@H]1[N@@H+](C[C@H](C)CCC#N)CC12CCOCC2 ZINC000602691871 348009892 /nfs/dbraw/zinc/00/98/92/348009892.db2.gz UYAYGGKPLZKWJV-CABCVRRESA-N 1 1 264.413 3.063 20 30 CGEDMO COc1ncc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)s1 ZINC000602691909 348010565 /nfs/dbraw/zinc/01/05/65/348010565.db2.gz IBBUFTUZOTVFSY-LLVKDONJSA-N 1 1 287.388 3.216 20 30 CGEDMO COc1ncc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)s1 ZINC000602691909 348010568 /nfs/dbraw/zinc/01/05/68/348010568.db2.gz IBBUFTUZOTVFSY-LLVKDONJSA-N 1 1 287.388 3.216 20 30 CGEDMO Cc1ccccc1[C@@H]1C[N@H+](CC2(CC#N)CC2)[C@H](C)CO1 ZINC000602786719 348029263 /nfs/dbraw/zinc/02/92/63/348029263.db2.gz XCTUJEFEOFYXHL-WBVHZDCISA-N 1 1 284.403 3.451 20 30 CGEDMO Cc1ccccc1[C@@H]1C[N@@H+](CC2(CC#N)CC2)[C@H](C)CO1 ZINC000602786719 348029265 /nfs/dbraw/zinc/02/92/65/348029265.db2.gz XCTUJEFEOFYXHL-WBVHZDCISA-N 1 1 284.403 3.451 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000602709578 348015163 /nfs/dbraw/zinc/01/51/63/348015163.db2.gz GEYYHAXVRZQBCG-BPQIPLTHSA-N 1 1 286.419 3.024 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(CC2(CC#N)CC2)C1 ZINC000602788644 348029398 /nfs/dbraw/zinc/02/93/98/348029398.db2.gz RDGLWMJUEKPECN-XHSDSOJGSA-N 1 1 275.440 3.017 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@H](N(C)c2ccccc2)C1 ZINC000602719231 348016561 /nfs/dbraw/zinc/01/65/61/348016561.db2.gz WMLZMPAUMJAHHW-RDJZCZTQSA-N 1 1 271.408 3.137 20 30 CGEDMO C[N@H+](Cc1ccc(Br)o1)CC1(CC#N)CC1 ZINC000602767607 348025646 /nfs/dbraw/zinc/02/56/46/348025646.db2.gz RRGGQOFDSHKUFM-UHFFFAOYSA-N 1 1 283.169 3.168 20 30 CGEDMO C[N@@H+](Cc1ccc(Br)o1)CC1(CC#N)CC1 ZINC000602767607 348025648 /nfs/dbraw/zinc/02/56/48/348025648.db2.gz RRGGQOFDSHKUFM-UHFFFAOYSA-N 1 1 283.169 3.168 20 30 CGEDMO N#CCC1(C[N@@H+]2CCC[C@H](O)[C@H]2CCc2ccccc2)CC1 ZINC000602852835 348036473 /nfs/dbraw/zinc/03/64/73/348036473.db2.gz RPWBZZLTXZKDGY-MSOLQXFVSA-N 1 1 298.430 3.138 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H]1c1ncccn1 ZINC000602896165 348040928 /nfs/dbraw/zinc/04/09/28/348040928.db2.gz CZYOFAHFDUFGSV-AWEZNQCLSA-N 1 1 272.396 3.334 20 30 CGEDMO C[N@@H+](CCCOc1ccc(F)cc1)[C@H]1CCC[C@@H]1C#N ZINC000602975741 348048655 /nfs/dbraw/zinc/04/86/55/348048655.db2.gz GPVGEYPDVGMVMA-CJNGLKHVSA-N 1 1 276.355 3.219 20 30 CGEDMO C[N@@H+](CC1CCC(F)(F)CC1)[C@H]1CCC[C@@H]1C#N ZINC000602981290 348051313 /nfs/dbraw/zinc/05/13/13/348051313.db2.gz AXKITHUWDGVQTC-OLZOCXBDSA-N 1 1 256.340 3.436 20 30 CGEDMO COc1ccc([C@H](C)C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)cc1 ZINC000602982332 348052140 /nfs/dbraw/zinc/05/21/40/348052140.db2.gz QTYINGSGLBVHNP-UNEWFSDZSA-N 1 1 272.392 3.423 20 30 CGEDMO C[N@H+](CCc1c(F)cccc1F)[C@@H]1CCC[C@H]1C#N ZINC000602982298 348052480 /nfs/dbraw/zinc/05/24/80/348052480.db2.gz QJKDILXZSNCAIY-XHDPSFHLSA-N 1 1 264.319 3.131 20 30 CGEDMO C[N@@H+](CCc1c(F)cccc1F)[C@@H]1CCC[C@H]1C#N ZINC000602982298 348052482 /nfs/dbraw/zinc/05/24/82/348052482.db2.gz QJKDILXZSNCAIY-XHDPSFHLSA-N 1 1 264.319 3.131 20 30 CGEDMO CC1(F)CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000602992343 348053207 /nfs/dbraw/zinc/05/32/07/348053207.db2.gz NQSFIJNIVXZBSI-UHFFFAOYSA-N 1 1 250.292 3.021 20 30 CGEDMO C[C@]1(C2CCCCC2)CC[N@H+]1Cc1ccncc1C#N ZINC000603031025 348055176 /nfs/dbraw/zinc/05/51/76/348055176.db2.gz ZPPWGWASMYAVHE-QGZVFWFLSA-N 1 1 269.392 3.498 20 30 CGEDMO C[C@H](C[N@@H+](C)CC(=O)Nc1sccc1C#N)C(C)(C)C ZINC000603054935 348056700 /nfs/dbraw/zinc/05/67/00/348056700.db2.gz LDAUARJACGHXRC-LLVKDONJSA-N 1 1 293.436 3.172 20 30 CGEDMO N#CCCCC[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000609233738 348340418 /nfs/dbraw/zinc/34/04/18/348340418.db2.gz IEUJKKNQGDHGAN-MRXNPFEDSA-N 1 1 258.365 3.144 20 30 CGEDMO C[C@@H]1CCC[C@@H](C)[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000610215347 348367821 /nfs/dbraw/zinc/36/78/21/348367821.db2.gz FAPBCRSBGGSHDM-HUUCEWRRSA-N 1 1 272.392 3.448 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)Cc1ccnc(C#N)c1 ZINC000610991480 348413921 /nfs/dbraw/zinc/41/39/21/348413921.db2.gz OAIGWPSAPFPUIK-UHFFFAOYSA-N 1 1 263.344 3.141 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccnc(C#N)c1 ZINC000610991480 348413923 /nfs/dbraw/zinc/41/39/23/348413923.db2.gz OAIGWPSAPFPUIK-UHFFFAOYSA-N 1 1 263.344 3.141 20 30 CGEDMO Cc1nc(C)c([C@H](C)[N@H+](C)Cc2ccnc(C#N)c2)s1 ZINC000610992878 348414942 /nfs/dbraw/zinc/41/49/42/348414942.db2.gz PMWVUUIQCQAKEE-NSHDSACASA-N 1 1 286.404 3.220 20 30 CGEDMO Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2ccnc(C#N)c2)s1 ZINC000610992878 348414946 /nfs/dbraw/zinc/41/49/46/348414946.db2.gz PMWVUUIQCQAKEE-NSHDSACASA-N 1 1 286.404 3.220 20 30 CGEDMO CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000610993370 348415452 /nfs/dbraw/zinc/41/54/52/348415452.db2.gz OXBMAKUAVSFUPK-GOSISDBHSA-N 1 1 277.371 3.463 20 30 CGEDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610993711 348416228 /nfs/dbraw/zinc/41/62/28/348416228.db2.gz DCYRHAIXATZSDE-QAPCUYQASA-N 1 1 291.398 3.406 20 30 CGEDMO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610994683 348416253 /nfs/dbraw/zinc/41/62/53/348416253.db2.gz MXYRGNGNXLRMMC-KBXCAEBGSA-N 1 1 277.371 3.331 20 30 CGEDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610994539 348416458 /nfs/dbraw/zinc/41/64/58/348416458.db2.gz SYIPQSCAQHXVDC-BBRMVZONSA-N 1 1 257.381 3.354 20 30 CGEDMO C[N@@H+](CCCOC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000610681239 348396148 /nfs/dbraw/zinc/39/61/48/348396148.db2.gz MACMWQSCJZKHMU-UHFFFAOYSA-N 1 1 260.381 3.195 20 30 CGEDMO N#Cc1csc(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)c1 ZINC000611273861 348434457 /nfs/dbraw/zinc/43/44/57/348434457.db2.gz SALQUPNLZHVPBG-UHFFFAOYSA-N 1 1 294.383 3.095 20 30 CGEDMO COCc1cnc(C[NH2+][C@@H](C)c2cccc(C#N)c2)s1 ZINC000611314497 348438287 /nfs/dbraw/zinc/43/82/87/348438287.db2.gz IXRWDJBWMUKCNR-NSHDSACASA-N 1 1 287.388 3.012 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)c(COCC)c1)C1CC1 ZINC000273361621 192127466 /nfs/dbraw/zinc/12/74/66/192127466.db2.gz CSYPBQGWAFPLCI-UHFFFAOYSA-N 1 1 275.392 3.382 20 30 CGEDMO CC[NH+](CC)C[C@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000611392271 348445263 /nfs/dbraw/zinc/44/52/63/348445263.db2.gz PMHNSSQZUVZRLA-KSSFIOAISA-N 1 1 285.435 3.256 20 30 CGEDMO Cc1c(Cl)cnc(N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1C#N ZINC000612085563 348492513 /nfs/dbraw/zinc/49/25/13/348492513.db2.gz XJQAESHFOIWPHK-HZMBPMFUSA-N 1 1 292.814 3.056 20 30 CGEDMO Cc1ccccc1C(C)(C)[NH2+]Cc1nc(C#N)cs1 ZINC000339493734 215208349 /nfs/dbraw/zinc/20/83/49/215208349.db2.gz OFCBIAUUDJCCFT-UHFFFAOYSA-N 1 1 271.389 3.348 20 30 CGEDMO COc1ccccc1CCC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162105 348497771 /nfs/dbraw/zinc/49/77/71/348497771.db2.gz ZLHRAWRPGSSTGM-KRWDZBQOSA-N 1 1 272.392 3.253 20 30 CGEDMO COc1ccccc1CCC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612162105 348497773 /nfs/dbraw/zinc/49/77/73/348497773.db2.gz ZLHRAWRPGSSTGM-KRWDZBQOSA-N 1 1 272.392 3.253 20 30 CGEDMO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1c(C)noc1C ZINC000612461447 348521502 /nfs/dbraw/zinc/52/15/02/348521502.db2.gz BTUAOZGJRSBYIG-SNVBAGLBSA-N 1 1 285.347 3.023 20 30 CGEDMO CC[C@H](C)Oc1cc(C[NH2+]C[C@@H](C)C#N)ccc1OC ZINC000612586545 348531065 /nfs/dbraw/zinc/53/10/65/348531065.db2.gz BVBBRGJFUCMIIX-STQMWFEESA-N 1 1 276.380 3.122 20 30 CGEDMO CC(C)[N@@H+](C)CCCNc1nc(C(C)(C)C)ccc1C#N ZINC000613411881 348598261 /nfs/dbraw/zinc/59/82/61/348598261.db2.gz VSDAEZQJLYOOTN-UHFFFAOYSA-N 1 1 288.439 3.393 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000613480414 348609295 /nfs/dbraw/zinc/60/92/95/348609295.db2.gz MAJNYVSXYFMYNN-KRWDZBQOSA-N 1 1 290.451 3.232 20 30 CGEDMO CN1CCC[C@@H](C[N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614168117 348654076 /nfs/dbraw/zinc/65/40/76/348654076.db2.gz REJHBMKZNXMVNV-QGZVFWFLSA-N 1 1 299.462 3.261 20 30 CGEDMO CN1CCC[C@@H](C[N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614168117 348654079 /nfs/dbraw/zinc/65/40/79/348654079.db2.gz REJHBMKZNXMVNV-QGZVFWFLSA-N 1 1 299.462 3.261 20 30 CGEDMO CN(Cc1ccc(C(C)(C)C#N)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000614168117 348654082 /nfs/dbraw/zinc/65/40/82/348654082.db2.gz REJHBMKZNXMVNV-QGZVFWFLSA-N 1 1 299.462 3.261 20 30 CGEDMO CN(Cc1ccc(C(C)(C)C#N)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000614168117 348654083 /nfs/dbraw/zinc/65/40/83/348654083.db2.gz REJHBMKZNXMVNV-QGZVFWFLSA-N 1 1 299.462 3.261 20 30 CGEDMO CO[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CC[C@H]1C ZINC000615236135 348725980 /nfs/dbraw/zinc/72/59/80/348725980.db2.gz ZYKKNKDTFDUVMX-RHSMWYFYSA-N 1 1 286.419 3.345 20 30 CGEDMO Cc1cc(C#N)ccc1CN1CC[N@H+](C)CC12CCCCC2 ZINC000614402566 348673766 /nfs/dbraw/zinc/67/37/66/348673766.db2.gz JYCVTCUDFFTHBV-UHFFFAOYSA-N 1 1 297.446 3.317 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCN(C)CC12CCCCC2 ZINC000614402566 348673768 /nfs/dbraw/zinc/67/37/68/348673768.db2.gz JYCVTCUDFFTHBV-UHFFFAOYSA-N 1 1 297.446 3.317 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCN(C)CC12CCCCC2 ZINC000614402566 348673773 /nfs/dbraw/zinc/67/37/73/348673773.db2.gz JYCVTCUDFFTHBV-UHFFFAOYSA-N 1 1 297.446 3.317 20 30 CGEDMO N#Cc1cccc(C[NH2+]Cc2c(F)cc(F)cc2F)c1 ZINC000339524413 215229395 /nfs/dbraw/zinc/22/93/95/215229395.db2.gz UAIRKAYBQMHGNS-UHFFFAOYSA-N 1 1 276.261 3.265 20 30 CGEDMO C[C@H]1C[N@H+](Cc2ccc(C#N)cn2)[C@@H]1c1ccccc1 ZINC000618904946 349177812 /nfs/dbraw/zinc/17/78/12/349177812.db2.gz NSMYYVQCJMQTPH-GUYCJALGSA-N 1 1 263.344 3.146 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cn2)[C@@H]1c1ccccc1 ZINC000618904946 349177814 /nfs/dbraw/zinc/17/78/14/349177814.db2.gz NSMYYVQCJMQTPH-GUYCJALGSA-N 1 1 263.344 3.146 20 30 CGEDMO C[C@H](C#N)C[N@H+](Cc1ccc2cnccc2c1)C1CC1 ZINC000618810688 349157850 /nfs/dbraw/zinc/15/78/50/349157850.db2.gz KXTCPWVKZFKCRO-CYBMUJFWSA-N 1 1 265.360 3.359 20 30 CGEDMO C[C@H](C#N)C[N@@H+](Cc1ccc2cnccc2c1)C1CC1 ZINC000618810688 349157851 /nfs/dbraw/zinc/15/78/51/349157851.db2.gz KXTCPWVKZFKCRO-CYBMUJFWSA-N 1 1 265.360 3.359 20 30 CGEDMO CC(C)[C@@H](CO)[N@H+](Cc1ccccc1)C[C@H](C)CCC#N ZINC000618888105 349175591 /nfs/dbraw/zinc/17/55/91/349175591.db2.gz NLMDSTYKFIZCPH-SJLPKXTDSA-N 1 1 288.435 3.445 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)C[C@@H](OCC)C1CC1 ZINC000625306060 350155948 /nfs/dbraw/zinc/15/59/48/350155948.db2.gz SQUCYIDZYIXLJR-MRXNPFEDSA-N 1 1 263.381 3.125 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2nc3ccccc3nc2C)C1 ZINC000625699374 350197297 /nfs/dbraw/zinc/19/72/97/350197297.db2.gz DMERZOIQFKINOJ-AWEZNQCLSA-N 1 1 267.376 3.336 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CCOCC(F)(F)C(F)(F)F)C1 ZINC000625701658 350199322 /nfs/dbraw/zinc/19/93/22/350199322.db2.gz LHYUCNFNPMNUFK-SNVBAGLBSA-N 1 1 287.272 3.099 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cn3cccc(C)c3n2)C1 ZINC000625702818 350199581 /nfs/dbraw/zinc/19/95/81/350199581.db2.gz JDINVDKHRLVRSH-CQSZACIVSA-N 1 1 255.365 3.041 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625801693 350215655 /nfs/dbraw/zinc/21/56/55/350215655.db2.gz WXYCKKWOMLXPPL-GOSISDBHSA-N 1 1 285.387 3.453 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2noc(-c3ccc(OC)cc3)n2)C1 ZINC000625705226 350201047 /nfs/dbraw/zinc/20/10/47/350201047.db2.gz ZBHJHWFTKQASKC-ZDUSSCGKSA-N 1 1 299.374 3.143 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2noc(-c3ccc(OC)cc3)n2)C1 ZINC000625705226 350201050 /nfs/dbraw/zinc/20/10/50/350201050.db2.gz ZBHJHWFTKQASKC-ZDUSSCGKSA-N 1 1 299.374 3.143 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000626007323 350246539 /nfs/dbraw/zinc/24/65/39/350246539.db2.gz BJUUHXKWPJMFKM-CQSZACIVSA-N 1 1 285.309 3.001 20 30 CGEDMO Cn1c[nH+]cc1CCSc1ccc(C#N)cc1Cl ZINC000352160411 219340896 /nfs/dbraw/zinc/34/08/96/219340896.db2.gz KQPBVYLNCFWYTM-UHFFFAOYSA-N 1 1 277.780 3.280 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000628406870 350529308 /nfs/dbraw/zinc/52/93/08/350529308.db2.gz SPEYROGKPKOFEJ-CYBMUJFWSA-N 1 1 273.405 3.332 20 30 CGEDMO COc1cccc(C2([NH2+]Cc3cccc(C#N)c3F)CC2)c1 ZINC000352220716 219370525 /nfs/dbraw/zinc/37/05/25/219370525.db2.gz JCZXQLNMAREZCU-UHFFFAOYSA-N 1 1 296.345 3.485 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@H]1C ZINC000122735155 187048022 /nfs/dbraw/zinc/04/80/22/187048022.db2.gz CTVOLWYFGVHANG-OLZOCXBDSA-N 1 1 296.374 3.086 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1ccc(C)cc1Cl)C1CC1 ZINC000271484169 191165327 /nfs/dbraw/zinc/16/53/27/191165327.db2.gz SVLNMQLFWPDVGH-UHFFFAOYSA-N 1 1 278.783 3.237 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1ccc(C)cc1Cl)C1CC1 ZINC000271484169 191165329 /nfs/dbraw/zinc/16/53/29/191165329.db2.gz SVLNMQLFWPDVGH-UHFFFAOYSA-N 1 1 278.783 3.237 20 30 CGEDMO COc1ccc(C[N@@H+](C)C(C2CC2)C2CC2)cc1C#N ZINC000135012939 187789262 /nfs/dbraw/zinc/78/92/62/187789262.db2.gz JKJWOYWZLAZGSX-UHFFFAOYSA-N 1 1 270.376 3.187 20 30 CGEDMO CC[N@@H+](Cc1cc(C)ncn1)[C@H](C)c1ccc(C#N)cc1 ZINC000292277889 198228673 /nfs/dbraw/zinc/22/86/73/198228673.db2.gz XNIGNYXJGCJJKI-CQSZACIVSA-N 1 1 280.375 3.240 20 30 CGEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2ccccc2OC)CC1 ZINC000152982215 188057003 /nfs/dbraw/zinc/05/70/03/188057003.db2.gz USEYOTBJKIHZRI-OAHLLOKOSA-N 1 1 288.435 3.386 20 30 CGEDMO COC(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)o1 ZINC000271672128 191268732 /nfs/dbraw/zinc/26/87/32/191268732.db2.gz NNUDVONFRDGDCS-RYUDHWBXSA-N 1 1 298.342 3.350 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccccc1OCC ZINC000155137672 188186184 /nfs/dbraw/zinc/18/61/84/188186184.db2.gz SZRDZVUWZWVRKL-AWEZNQCLSA-N 1 1 290.407 3.310 20 30 CGEDMO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000156638671 188273538 /nfs/dbraw/zinc/27/35/38/188273538.db2.gz CHWCQJHDWLYOHT-CCKFTAQKSA-N 1 1 292.382 3.285 20 30 CGEDMO C[C@@H]1C[C@H]([N@@H+](C)CCCC#N)CCN1Cc1ccccc1 ZINC000156933434 188288575 /nfs/dbraw/zinc/28/85/75/188288575.db2.gz WIZLDUHPAMQQHT-SJLPKXTDSA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@@H]1C[C@H](N(C)CCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000156933434 188288577 /nfs/dbraw/zinc/28/85/77/188288577.db2.gz WIZLDUHPAMQQHT-SJLPKXTDSA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@@H]1C[C@H](N(C)CCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000156933434 188288578 /nfs/dbraw/zinc/28/85/78/188288578.db2.gz WIZLDUHPAMQQHT-SJLPKXTDSA-N 1 1 285.435 3.275 20 30 CGEDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)C(C)(C)C#N)c2C1 ZINC000158325575 188369585 /nfs/dbraw/zinc/36/95/85/188369585.db2.gz NYKWOCDVQLJMST-UHFFFAOYSA-N 1 1 285.391 3.146 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)n1 ZINC000336401542 213258783 /nfs/dbraw/zinc/25/87/83/213258783.db2.gz KNBFAFCXJXWGIE-WCQYABFASA-N 1 1 261.394 3.169 20 30 CGEDMO N#C[C@H]1CC[C@H]([N@H+]2CCc3ccc(Cl)cc3C2)C1 ZINC000336488739 283067436 /nfs/dbraw/zinc/06/74/36/283067436.db2.gz OWNOOFORGLUZFR-NHYWBVRUSA-N 1 1 260.768 3.390 20 30 CGEDMO N#Cc1cccc(C2([NH2+]Cc3cccc(Cl)n3)CC2)c1 ZINC000271852333 191367690 /nfs/dbraw/zinc/36/76/90/191367690.db2.gz XTSWNGZTVWVQAR-UHFFFAOYSA-N 1 1 283.762 3.386 20 30 CGEDMO C#Cc1cccc(NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000174784605 188917871 /nfs/dbraw/zinc/91/78/71/188917871.db2.gz PKHCUOVWCJUDCK-QGZVFWFLSA-N 1 1 299.418 3.006 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000459338442 283211553 /nfs/dbraw/zinc/21/15/53/283211553.db2.gz KKQPJTSMAVCTGE-WFASDCNBSA-N 1 1 285.347 3.231 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000459338442 283211557 /nfs/dbraw/zinc/21/15/57/283211557.db2.gz KKQPJTSMAVCTGE-WFASDCNBSA-N 1 1 285.347 3.231 20 30 CGEDMO C[C@@H]1CCC[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2C#N)C1 ZINC000098110858 138349735 /nfs/dbraw/zinc/34/97/35/138349735.db2.gz KGSMCGVGIRKWFW-GDBMZVCRSA-N 1 1 299.418 3.397 20 30 CGEDMO CC[C@@H]1CC[C@@H](C)[N@H+]1CCOc1ccc(C#N)cc1 ZINC000124614481 138376323 /nfs/dbraw/zinc/37/63/23/138376323.db2.gz RLQFGJMBQUXPAG-UKRRQHHQSA-N 1 1 258.365 3.200 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000336275692 213114791 /nfs/dbraw/zinc/11/47/91/213114791.db2.gz AGNJJXSRNPJCPA-LSDHHAIUSA-N 1 1 292.329 3.044 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cncc(F)c1 ZINC000425368450 236239661 /nfs/dbraw/zinc/23/96/61/236239661.db2.gz WWBMOLYZEWBQFV-GFCCVEGCSA-N 1 1 269.323 3.285 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cncc(F)c1 ZINC000425368450 236239662 /nfs/dbraw/zinc/23/96/62/236239662.db2.gz WWBMOLYZEWBQFV-GFCCVEGCSA-N 1 1 269.323 3.285 20 30 CGEDMO Cc1cc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)on1 ZINC000425542025 236258877 /nfs/dbraw/zinc/25/88/77/236258877.db2.gz XPMYWVREUKZWGW-LBPRGKRZSA-N 1 1 255.321 3.048 20 30 CGEDMO Cc1cc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)on1 ZINC000425542025 236258879 /nfs/dbraw/zinc/25/88/79/236258879.db2.gz XPMYWVREUKZWGW-LBPRGKRZSA-N 1 1 255.321 3.048 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000428247283 236385464 /nfs/dbraw/zinc/38/54/64/236385464.db2.gz TZTPAKPCODDWNZ-MLGOLLRUSA-N 1 1 258.340 3.462 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CCCO1 ZINC000177101802 189028589 /nfs/dbraw/zinc/02/85/89/189028589.db2.gz UGIMSJDWWYOQFO-HNNXBMFYSA-N 1 1 297.320 3.168 20 30 CGEDMO C[C@@H]([N@@H+](C)CCC(=O)Nc1ccccc1C#N)C1(C)CC1 ZINC000177252321 189039742 /nfs/dbraw/zinc/03/97/42/189039742.db2.gz BRCJJRQXRYPEKH-CYBMUJFWSA-N 1 1 285.391 3.007 20 30 CGEDMO C=CCOc1cccc(C[NH2+][C@@H](COC)c2ccco2)c1 ZINC000177571299 189058030 /nfs/dbraw/zinc/05/80/30/189058030.db2.gz YVVKGFNUAPNLGS-INIZCTEOSA-N 1 1 287.359 3.322 20 30 CGEDMO C=CC[NH+]1CCC(N[C@H](C)c2cc(F)c(F)c(F)c2)CC1 ZINC000177908462 189078243 /nfs/dbraw/zinc/07/82/43/189078243.db2.gz HDVRKCHKESUTEC-LLVKDONJSA-N 1 1 298.352 3.405 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCCCC[C@@H]2CCO)c(Cl)c1 ZINC000342041157 216196514 /nfs/dbraw/zinc/19/65/14/216196514.db2.gz BPEXGIGVHORCFU-OAHLLOKOSA-N 1 1 292.810 3.339 20 30 CGEDMO N#Cc1cccc(OCC[N@@H+]2CCc3ccc(F)cc3C2)c1 ZINC000441016138 238365070 /nfs/dbraw/zinc/36/50/70/238365070.db2.gz LUZXLHJSDUYJQD-UHFFFAOYSA-N 1 1 296.345 3.134 20 30 CGEDMO CC[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180266680 189247414 /nfs/dbraw/zinc/24/74/14/189247414.db2.gz DUSVMEKOUTTZGX-AWEZNQCLSA-N 1 1 294.402 3.191 20 30 CGEDMO N#Cc1ccc(C[N@@H+](Cc2ccccn2)C2CC2)cc1 ZINC000181302617 189293145 /nfs/dbraw/zinc/29/31/45/189293145.db2.gz FISIZPGWLSASDY-UHFFFAOYSA-N 1 1 263.344 3.118 20 30 CGEDMO C[C@H]1SCC[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC000134773262 291261096 /nfs/dbraw/zinc/26/10/96/291261096.db2.gz CRWSQGGTSULQKX-GHMZBOCLSA-N 1 1 264.369 3.023 20 30 CGEDMO C[C@H]1SCC[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1C ZINC000134773262 291261098 /nfs/dbraw/zinc/26/10/98/291261098.db2.gz CRWSQGGTSULQKX-GHMZBOCLSA-N 1 1 264.369 3.023 20 30 CGEDMO CCCC[N@H+]1CCCC[C@@H]1CNc1ccc(C#N)nc1 ZINC000301497135 201030755 /nfs/dbraw/zinc/03/07/55/201030755.db2.gz CRVRBGVZTBFIEQ-MRXNPFEDSA-N 1 1 272.396 3.020 20 30 CGEDMO COc1cccc2c1CC[N@H+](Cc1cccc(C#N)c1)C2 ZINC000182698107 189332330 /nfs/dbraw/zinc/33/23/30/189332330.db2.gz LZQQGXMZKGVPNL-UHFFFAOYSA-N 1 1 278.355 3.125 20 30 CGEDMO COc1cccc2c1CC[N@@H+](Cc1cccc(C#N)c1)C2 ZINC000182698107 189332331 /nfs/dbraw/zinc/33/23/31/189332331.db2.gz LZQQGXMZKGVPNL-UHFFFAOYSA-N 1 1 278.355 3.125 20 30 CGEDMO CCCC[N@H+](C)C[C@@H](C)NCc1ccc(C#N)c(C)c1 ZINC000342443187 216354759 /nfs/dbraw/zinc/35/47/59/216354759.db2.gz PWFFWCFOQKVAAX-OAHLLOKOSA-N 1 1 273.424 3.077 20 30 CGEDMO CCCC[N@@H+](C)C[C@@H](C)NCc1ccc(C#N)c(C)c1 ZINC000342443187 216354760 /nfs/dbraw/zinc/35/47/60/216354760.db2.gz PWFFWCFOQKVAAX-OAHLLOKOSA-N 1 1 273.424 3.077 20 30 CGEDMO CC[N@H+]1CCCC[C@@H]1CNc1nc2c(cc1C#N)CCCC2 ZINC000301853176 201234210 /nfs/dbraw/zinc/23/42/10/201234210.db2.gz BERCNLXGNVLDDG-MRXNPFEDSA-N 1 1 298.434 3.118 20 30 CGEDMO C[C@H]1C[N@H+](CCCSCC#N)C[C@H](c2ccsc2)O1 ZINC000120526321 370777241 /nfs/dbraw/zinc/77/72/41/370777241.db2.gz PBOXIHFZJCNLNA-GXTWGEPZSA-N 1 1 296.461 3.157 20 30 CGEDMO C[C@H]1C[N@@H+](CCCSCC#N)C[C@H](c2ccsc2)O1 ZINC000120526321 370777248 /nfs/dbraw/zinc/77/72/48/370777248.db2.gz PBOXIHFZJCNLNA-GXTWGEPZSA-N 1 1 296.461 3.157 20 30 CGEDMO Cc1ccc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)nc1 ZINC000451385366 240289501 /nfs/dbraw/zinc/28/95/01/240289501.db2.gz SBGQJRLAFXMMCH-AWEZNQCLSA-N 1 1 265.360 3.455 20 30 CGEDMO CO[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(C#N)c2F)C12CCC2 ZINC000451856657 240370336 /nfs/dbraw/zinc/37/03/36/240370336.db2.gz SWDFWWDEAVOHNQ-HUUCEWRRSA-N 1 1 288.366 3.087 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451983534 240390070 /nfs/dbraw/zinc/39/00/70/240390070.db2.gz UYNHIDKLFMZMBC-MRXNPFEDSA-N 1 1 290.407 3.416 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451983534 240390071 /nfs/dbraw/zinc/39/00/71/240390071.db2.gz UYNHIDKLFMZMBC-MRXNPFEDSA-N 1 1 290.407 3.416 20 30 CGEDMO C[C@H]1CCC(C)(C)[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000452000389 240393758 /nfs/dbraw/zinc/39/37/58/240393758.db2.gz BQAFWAILOFBLDW-LBPRGKRZSA-N 1 1 296.374 3.371 20 30 CGEDMO COc1ccc(C[N@H+]2[C@@H](C)CCC2(C)C)cc1C#N ZINC000452014906 240395730 /nfs/dbraw/zinc/39/57/30/240395730.db2.gz USPMRJIQBWGGFV-LBPRGKRZSA-N 1 1 258.365 3.330 20 30 CGEDMO C=CCC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C)CC ZINC000121223605 370841399 /nfs/dbraw/zinc/84/13/99/370841399.db2.gz OJXIXCYMOPKCHF-ZDUSSCGKSA-N 1 1 285.391 3.100 20 30 CGEDMO C=CC[N@@H+](C)[C@@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000121448281 370861187 /nfs/dbraw/zinc/86/11/87/370861187.db2.gz LMVKNILBLGYLRU-NSHDSACASA-N 1 1 296.798 3.102 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000121448281 370861191 /nfs/dbraw/zinc/86/11/91/370861191.db2.gz LMVKNILBLGYLRU-NSHDSACASA-N 1 1 296.798 3.102 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459794178 242237800 /nfs/dbraw/zinc/23/78/00/242237800.db2.gz MKJNIJQBOFOZJG-ZOCIIQOWSA-N 1 1 298.430 3.492 20 30 CGEDMO C=CC[N@H+](C)Cc1cccc(OCC(F)(F)F)c1 ZINC000121542353 370871144 /nfs/dbraw/zinc/87/11/44/370871144.db2.gz QUCBHSDFGAOVBM-UHFFFAOYSA-N 1 1 259.271 3.246 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)n1 ZINC000336401541 213259686 /nfs/dbraw/zinc/25/96/86/213259686.db2.gz KNBFAFCXJXWGIE-AAEUAGOBSA-N 1 1 261.394 3.169 20 30 CGEDMO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)C1CCCCCC1 ZINC000014705058 368683746 /nfs/dbraw/zinc/68/37/46/368683746.db2.gz KELJNUZRVNDERO-UHFFFAOYSA-N 1 1 285.391 3.151 20 30 CGEDMO Cc1sc(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c(C#N)c1C ZINC000123359967 370911211 /nfs/dbraw/zinc/91/12/11/370911211.db2.gz PPTIAZLLKFAAGH-AOOOYVTPSA-N 1 1 291.420 3.048 20 30 CGEDMO Cc1sc(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c(C#N)c1C ZINC000123359967 370911213 /nfs/dbraw/zinc/91/12/13/370911213.db2.gz PPTIAZLLKFAAGH-AOOOYVTPSA-N 1 1 291.420 3.048 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)N(C)C1CCCCC1 ZINC000124054907 370918499 /nfs/dbraw/zinc/91/84/99/370918499.db2.gz YLTMIYSSMAMCHW-CQSZACIVSA-N 1 1 266.429 3.064 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+](C)C1CCN(CC)CC1 ZINC000125235757 370934111 /nfs/dbraw/zinc/93/41/11/370934111.db2.gz YTWSPSXHJYUTRW-UHFFFAOYSA-N 1 1 288.435 3.168 20 30 CGEDMO C=CCOc1ccccc1C[N@H+](C)C1CCN(CC)CC1 ZINC000125235757 370934112 /nfs/dbraw/zinc/93/41/12/370934112.db2.gz YTWSPSXHJYUTRW-UHFFFAOYSA-N 1 1 288.435 3.168 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@H](CCO)c1ccccc1 ZINC000126896761 370947709 /nfs/dbraw/zinc/94/77/09/370947709.db2.gz VNLDASYFLSEYPS-MRXNPFEDSA-N 1 1 286.400 3.175 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(C#N)ccc1F ZINC000026329101 368856968 /nfs/dbraw/zinc/85/69/68/368856968.db2.gz QUOLHZRZHGSUSA-UHFFFAOYSA-N 1 1 279.318 3.201 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(C#N)ccc1F ZINC000026329101 368856971 /nfs/dbraw/zinc/85/69/71/368856971.db2.gz QUOLHZRZHGSUSA-UHFFFAOYSA-N 1 1 279.318 3.201 20 30 CGEDMO CC[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000034674115 368976761 /nfs/dbraw/zinc/97/67/61/368976761.db2.gz DHTCHLICZMRSGS-KRWDZBQOSA-N 1 1 272.392 3.246 20 30 CGEDMO Cc1nc([C@H](C)[NH2+]Cc2cccc(C#N)c2)c(C)s1 ZINC000037748796 369102868 /nfs/dbraw/zinc/10/28/68/369102868.db2.gz BKEUWFWWJHQYSP-JTQLQIEISA-N 1 1 271.389 3.482 20 30 CGEDMO CC[C@@H]1CCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000037913794 369125489 /nfs/dbraw/zinc/12/54/89/369125489.db2.gz SLFKBADQHMVVEX-OAHLLOKOSA-N 1 1 258.365 3.202 20 30 CGEDMO C[C@H]([NH2+]Cc1nccn1C(F)F)c1ccc(C#N)cc1 ZINC000037749557 369104556 /nfs/dbraw/zinc/10/45/56/369104556.db2.gz TWIIUVVLKOGEOY-JTQLQIEISA-N 1 1 276.290 3.001 20 30 CGEDMO CC1CCC([N@@H+](C)CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000042294625 369210763 /nfs/dbraw/zinc/21/07/63/369210763.db2.gz KWTOHGBVSNGJLH-UHFFFAOYSA-N 1 1 285.391 3.007 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(C#N)c1 ZINC000046517835 369295427 /nfs/dbraw/zinc/29/54/27/369295427.db2.gz ZSBNAKHTAGBYKC-UHFFFAOYSA-N 1 1 261.328 3.062 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)[C@@H]1C ZINC000050564756 369441356 /nfs/dbraw/zinc/44/13/56/369441356.db2.gz DOGZFGJPADUHGM-ZIAGYGMSSA-N 1 1 285.391 3.007 20 30 CGEDMO C[N@@H+](CCc1ccccc1)Cc1ccc(C#N)cc1F ZINC000051998783 369461156 /nfs/dbraw/zinc/46/11/56/369461156.db2.gz GNWLXJFKRRVZFJ-UHFFFAOYSA-N 1 1 268.335 3.372 20 30 CGEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1csc2ccccc12 ZINC000052805930 369472113 /nfs/dbraw/zinc/47/21/13/369472113.db2.gz KTIXLRBXMWSADH-GFCCVEGCSA-N 1 1 288.416 3.024 20 30 CGEDMO C=CCC[N@H+](C)Cc1cnc([C@H]2CCCO2)s1 ZINC000276115958 193217744 /nfs/dbraw/zinc/21/77/44/193217744.db2.gz IQQMGTJTMUIDHW-GFCCVEGCSA-N 1 1 252.383 3.003 20 30 CGEDMO CSCC[C@H](C)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000129021702 370971065 /nfs/dbraw/zinc/97/10/65/370971065.db2.gz QIYVKVURDLYFMC-JTQLQIEISA-N 1 1 254.424 3.193 20 30 CGEDMO C#CC[N@@H+](Cc1ccncc1)[C@@H]1CCc2ccccc21 ZINC000128466446 370963182 /nfs/dbraw/zinc/96/31/82/370963182.db2.gz YHBTUVXVWSBWFY-GOSISDBHSA-N 1 1 262.356 3.204 20 30 CGEDMO C=CCC[N@@H+](C)CC(=O)c1cc(C)n([C@H](C)COC)c1C ZINC000276379339 193308042 /nfs/dbraw/zinc/30/80/42/193308042.db2.gz HWSWTERAVFWING-CQSZACIVSA-N 1 1 292.423 3.003 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)c1cc(C)n([C@H](C)COC)c1C ZINC000276379339 193308043 /nfs/dbraw/zinc/30/80/43/193308043.db2.gz HWSWTERAVFWING-CQSZACIVSA-N 1 1 292.423 3.003 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(SC)c1 ZINC000276384951 193309848 /nfs/dbraw/zinc/30/98/48/193309848.db2.gz IQEAPFXWJNTDMI-LBPRGKRZSA-N 1 1 278.421 3.243 20 30 CGEDMO C=CCC[C@@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccco1 ZINC000276389558 193312033 /nfs/dbraw/zinc/31/20/33/193312033.db2.gz BIADKSLJTRDBBU-GDBMZVCRSA-N 1 1 274.408 3.361 20 30 CGEDMO C=CCC[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccco1 ZINC000276389558 193312039 /nfs/dbraw/zinc/31/20/39/193312039.db2.gz BIADKSLJTRDBBU-GDBMZVCRSA-N 1 1 274.408 3.361 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000276456295 193338930 /nfs/dbraw/zinc/33/89/30/193338930.db2.gz QCXFUEMUGCJMKD-CYBMUJFWSA-N 1 1 283.375 3.070 20 30 CGEDMO CC1CC[NH+](C[C@@H]2CCCN(CCCCC#N)C2)CC1 ZINC000069608395 369765087 /nfs/dbraw/zinc/76/50/87/369765087.db2.gz MYZXZKOORWQAGC-QGZVFWFLSA-N 1 1 277.456 3.124 20 30 CGEDMO C[N@H+](CCCCC#N)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000076110141 369930121 /nfs/dbraw/zinc/93/01/21/369930121.db2.gz ABRDNZHYCOVYCF-SFHVURJKSA-N 1 1 285.435 3.134 20 30 CGEDMO C[N@@H+](CCCCC#N)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000076110141 369930128 /nfs/dbraw/zinc/93/01/28/369930128.db2.gz ABRDNZHYCOVYCF-SFHVURJKSA-N 1 1 285.435 3.134 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(C)s1 ZINC000076342255 369936470 /nfs/dbraw/zinc/93/64/70/369936470.db2.gz YGVKIYQEKCGZTP-CQSZACIVSA-N 1 1 294.464 3.301 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C)s1 ZINC000076342255 369936473 /nfs/dbraw/zinc/93/64/73/369936473.db2.gz YGVKIYQEKCGZTP-CQSZACIVSA-N 1 1 294.464 3.301 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC000076736120 369940961 /nfs/dbraw/zinc/94/09/61/369940961.db2.gz SUMBTBHRCRNYBU-CQSZACIVSA-N 1 1 290.407 3.310 20 30 CGEDMO CC(C)(C)CCN1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000092219470 370095144 /nfs/dbraw/zinc/09/51/44/370095144.db2.gz SXWTWRZKEBUNJL-UHFFFAOYSA-N 1 1 279.472 3.370 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(OCc2ccccc2OC)CC1 ZINC000092424280 370096780 /nfs/dbraw/zinc/09/67/80/370096780.db2.gz NNDWBTLHRLCQSS-UHFFFAOYSA-N 1 1 295.810 3.429 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)Cc1ccc(-n2cncn2)cc1 ZINC000093101256 370109747 /nfs/dbraw/zinc/10/97/47/370109747.db2.gz NZIIGKCKHPWABP-UHFFFAOYSA-N 1 1 297.406 3.029 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(-n2cncn2)cc1 ZINC000093101256 370109749 /nfs/dbraw/zinc/10/97/49/370109749.db2.gz NZIIGKCKHPWABP-UHFFFAOYSA-N 1 1 297.406 3.029 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C[C@H](C)O)C(C)C)cc1Cl ZINC000093143377 370112218 /nfs/dbraw/zinc/11/22/18/370112218.db2.gz LHECDGYYXOMQPS-ZDUSSCGKSA-N 1 1 297.826 3.496 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCOC[C@@H]1C1CC1 ZINC000090009158 370053475 /nfs/dbraw/zinc/05/34/75/370053475.db2.gz IOKHCJLOOVGPSN-QGZVFWFLSA-N 1 1 284.403 3.099 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC3(CCC3)C2)cc1 ZINC000093455855 370134216 /nfs/dbraw/zinc/13/42/16/370134216.db2.gz SNKAYQNYMZRYBB-CQSZACIVSA-N 1 1 270.376 3.353 20 30 CGEDMO Cn1cccc1C[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000093584501 370142829 /nfs/dbraw/zinc/14/28/29/370142829.db2.gz SJEYEVQPVCVKKN-UHFFFAOYSA-N 1 1 297.402 3.340 20 30 CGEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CC(C)(C)CCC#N)C1(C)C ZINC000093605469 370146809 /nfs/dbraw/zinc/14/68/09/370146809.db2.gz MVCCUZTYMDTUIN-ZIAGYGMSSA-N 1 1 266.429 3.452 20 30 CGEDMO C[C@@H](CC#N)[N@H+](C)CCCOc1cccc(Cl)c1 ZINC000097079159 370222264 /nfs/dbraw/zinc/22/22/64/370222264.db2.gz VXQVQZOSBRYINE-LBPRGKRZSA-N 1 1 266.772 3.343 20 30 CGEDMO C[C@@H](CC#N)[N@@H+](C)CCCOc1cccc(Cl)c1 ZINC000097079159 370222266 /nfs/dbraw/zinc/22/22/66/370222266.db2.gz VXQVQZOSBRYINE-LBPRGKRZSA-N 1 1 266.772 3.343 20 30 CGEDMO Cc1nc(C)c([C@@H](C)[N@@H+](C)CCCCC#N)s1 ZINC000106878869 370354132 /nfs/dbraw/zinc/35/41/32/370354132.db2.gz IILUWHUYAOEETL-LLVKDONJSA-N 1 1 251.399 3.447 20 30 CGEDMO CC[C@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)CC1 ZINC000117346443 370587295 /nfs/dbraw/zinc/58/72/95/370587295.db2.gz KXJKXCMGEQHICN-LBPRGKRZSA-N 1 1 291.420 3.070 20 30 CGEDMO CC[C@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)CC1 ZINC000117346443 370587302 /nfs/dbraw/zinc/58/73/02/370587302.db2.gz KXJKXCMGEQHICN-LBPRGKRZSA-N 1 1 291.420 3.070 20 30 CGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000131456070 371108801 /nfs/dbraw/zinc/10/88/01/371108801.db2.gz YUPNCZDNPRPGRL-UXLLHSPISA-N 1 1 289.419 3.028 20 30 CGEDMO N#CCCCC[N@@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC000134356612 371325831 /nfs/dbraw/zinc/32/58/31/371325831.db2.gz AXILFCWEBOAXDZ-UHFFFAOYSA-N 1 1 286.419 3.488 20 30 CGEDMO C[C@@H](c1cccs1)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000219961685 376205966 /nfs/dbraw/zinc/20/59/66/376205966.db2.gz LBUMSCOSIUMFRE-SWLSCSKDSA-N 1 1 286.400 3.346 20 30 CGEDMO CC[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000135262883 371407705 /nfs/dbraw/zinc/40/77/05/371407705.db2.gz VFDOAUQLSIZLSL-INIZCTEOSA-N 1 1 299.462 3.261 20 30 CGEDMO C[N@@H+](CCOc1cccc(C#N)c1)C1CCC(F)(F)CC1 ZINC000286704515 371541604 /nfs/dbraw/zinc/54/16/04/371541604.db2.gz DZTAFQWNYUQXAH-UHFFFAOYSA-N 1 1 294.345 3.447 20 30 CGEDMO C=CCCCCC[N@@H+](C)Cc1nc(CCC)no1 ZINC000150889596 371546081 /nfs/dbraw/zinc/54/60/81/371546081.db2.gz BPILCMVPUQVJNR-UHFFFAOYSA-N 1 1 251.374 3.200 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1nc(CCC)no1 ZINC000150889596 371546088 /nfs/dbraw/zinc/54/60/88/371546088.db2.gz BPILCMVPUQVJNR-UHFFFAOYSA-N 1 1 251.374 3.200 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000288112908 371732086 /nfs/dbraw/zinc/73/20/86/371732086.db2.gz HONGQCJDMAGGAM-NVXWUHKLSA-N 1 1 286.419 3.122 20 30 CGEDMO C=CCC[C@@H](Nc1cc(CCOC)cc[nH+]1)C1CC1 ZINC000287629294 371685078 /nfs/dbraw/zinc/68/50/78/371685078.db2.gz UCFLLPDGYBVAOE-OAHLLOKOSA-N 1 1 260.381 3.427 20 30 CGEDMO CC(C)C[C@H]1CCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000153448907 371770702 /nfs/dbraw/zinc/77/07/02/371770702.db2.gz MJROCNGSVFUDRN-OAHLLOKOSA-N 1 1 282.391 3.216 20 30 CGEDMO C[C@H](CN[C@@H](C)c1cccc(C#N)c1)[N@@H+]1CCCC[C@@H]1C ZINC000344033643 217021852 /nfs/dbraw/zinc/02/18/52/217021852.db2.gz LEUYXWMTFHYSCR-XHSDSOJGSA-N 1 1 285.435 3.472 20 30 CGEDMO C[C@H](CN[C@@H](C)c1cccc(C#N)c1)[N@H+]1CCCC[C@@H]1C ZINC000344033643 217021853 /nfs/dbraw/zinc/02/18/53/217021853.db2.gz LEUYXWMTFHYSCR-XHSDSOJGSA-N 1 1 285.435 3.472 20 30 CGEDMO CC[N@@H+](CCC(C)(C)C#N)Cc1ccc2c(c1)OCO2 ZINC000157540004 372027497 /nfs/dbraw/zinc/02/74/97/372027497.db2.gz MAJZJZXOPKQXDK-UHFFFAOYSA-N 1 1 274.364 3.177 20 30 CGEDMO C[C@@H](c1cccs1)[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000157818758 372038125 /nfs/dbraw/zinc/03/81/25/372038125.db2.gz JSQCCNKNXSAFIF-LBPRGKRZSA-N 1 1 296.399 3.460 20 30 CGEDMO CCCC[C@@H](C[NH3+])N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000423303440 372050116 /nfs/dbraw/zinc/05/01/16/372050116.db2.gz XBWRFNJHFBLWSF-WMZOPIPTSA-N 1 1 285.435 3.433 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000290934827 372078248 /nfs/dbraw/zinc/07/82/48/372078248.db2.gz PFXGBGIRJYJTGI-ZWKOTPCHSA-N 1 1 281.399 3.201 20 30 CGEDMO CC[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccccc1 ZINC000158687122 372079855 /nfs/dbraw/zinc/07/98/55/372079855.db2.gz NQOZLIRDJUQJSB-UHFFFAOYSA-N 1 1 290.370 3.228 20 30 CGEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)NCc1ccc(C#N)o1 ZINC000159380577 372138401 /nfs/dbraw/zinc/13/84/01/372138401.db2.gz DEDFUTJHFRLBTP-UHFFFAOYSA-N 1 1 297.402 3.151 20 30 CGEDMO CN(Cc1ccccc1)CC(C)(C)[NH2+]Cc1ccc(C#N)o1 ZINC000159380577 372138404 /nfs/dbraw/zinc/13/84/04/372138404.db2.gz DEDFUTJHFRLBTP-UHFFFAOYSA-N 1 1 297.402 3.151 20 30 CGEDMO CC[N@@H+](CCCc1nc(-c2ccccc2)no1)C[C@H](C)C#N ZINC000159543151 372154074 /nfs/dbraw/zinc/15/40/74/372154074.db2.gz IYTDJGWSMDMYPT-CQSZACIVSA-N 1 1 298.390 3.151 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)[C@@H]2CC2(C)C)cc1OC ZINC000426578188 372165407 /nfs/dbraw/zinc/16/54/07/372165407.db2.gz HDEXNXIXOLMPCI-MRXNPFEDSA-N 1 1 275.392 3.490 20 30 CGEDMO C[C@H](C1CC1)[N@@H+](Cc1cccc(F)c1C#N)C1CC1 ZINC000428470393 372216494 /nfs/dbraw/zinc/21/64/94/372216494.db2.gz OLQKVDOSEFBCLP-LLVKDONJSA-N 1 1 258.340 3.460 20 30 CGEDMO C=CC[N@H+](C)Cc1cnc(-c2ccsc2)s1 ZINC000428387655 372187612 /nfs/dbraw/zinc/18/76/12/372187612.db2.gz HCLWAOWCEGYNJC-UHFFFAOYSA-N 1 1 250.392 3.489 20 30 CGEDMO C[C@H]1CC[N@H+](Cc2cccc(F)c2C#N)CCS1 ZINC000428983386 372296193 /nfs/dbraw/zinc/29/61/93/372296193.db2.gz VIMPTXZNLGPGJH-NSHDSACASA-N 1 1 264.369 3.025 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2cccc(F)c2C#N)CCS1 ZINC000428983386 372296196 /nfs/dbraw/zinc/29/61/96/372296196.db2.gz VIMPTXZNLGPGJH-NSHDSACASA-N 1 1 264.369 3.025 20 30 CGEDMO COc1cc(CNc2cccc(C3CC3)[nH+]2)ccc1C#N ZINC000293091656 372297633 /nfs/dbraw/zinc/29/76/33/372297633.db2.gz XCHDWKJROPHIOK-UHFFFAOYSA-N 1 1 279.343 3.451 20 30 CGEDMO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc2n[nH]cc2c1 ZINC000428985550 372298216 /nfs/dbraw/zinc/29/82/16/372298216.db2.gz KHMMHWHVBCXIKE-NSHDSACASA-N 1 1 294.333 3.424 20 30 CGEDMO C=CCCCCC[N@@H+]1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000429026009 372307079 /nfs/dbraw/zinc/30/70/79/372307079.db2.gz JBTROOALOFHJSI-BRWVUGGUSA-N 1 1 264.457 3.395 20 30 CGEDMO C=CCCCCCN1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000429026009 372307082 /nfs/dbraw/zinc/30/70/82/372307082.db2.gz JBTROOALOFHJSI-BRWVUGGUSA-N 1 1 264.457 3.395 20 30 CGEDMO C=CCCCCCN1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000429026009 372307086 /nfs/dbraw/zinc/30/70/86/372307086.db2.gz JBTROOALOFHJSI-BRWVUGGUSA-N 1 1 264.457 3.395 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+](C)Cc1cn2c(n1)CCCC2 ZINC000429538665 372373778 /nfs/dbraw/zinc/37/37/78/372373778.db2.gz IKVOAKUTTKYNNJ-AWEZNQCLSA-N 1 1 261.413 3.396 20 30 CGEDMO Cc1ccoc1C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000344351099 217163677 /nfs/dbraw/zinc/16/36/77/217163677.db2.gz MOHNVJWGVBUKOT-NSHDSACASA-N 1 1 258.296 3.450 20 30 CGEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)C1Cc2ccccc2C1 ZINC000344352056 217163780 /nfs/dbraw/zinc/16/37/80/217163780.db2.gz NVCINRAUOLOITK-UHFFFAOYSA-N 1 1 280.346 3.297 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000293768405 372475615 /nfs/dbraw/zinc/47/56/15/372475615.db2.gz KRDRPBIEZWAHBB-HNNXBMFYSA-N 1 1 299.418 3.253 20 30 CGEDMO C=CCOCC[N@H+]1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000293768405 372475621 /nfs/dbraw/zinc/47/56/21/372475621.db2.gz KRDRPBIEZWAHBB-HNNXBMFYSA-N 1 1 299.418 3.253 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000293768405 372475632 /nfs/dbraw/zinc/47/56/32/372475632.db2.gz KRDRPBIEZWAHBB-HNNXBMFYSA-N 1 1 299.418 3.253 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2CF)cc1OC ZINC000293938397 372530338 /nfs/dbraw/zinc/53/03/38/372530338.db2.gz HWFGJWDRDSLELB-CQSZACIVSA-N 1 1 279.355 3.194 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2CF)cc1OC ZINC000293938397 372530346 /nfs/dbraw/zinc/53/03/46/372530346.db2.gz HWFGJWDRDSLELB-CQSZACIVSA-N 1 1 279.355 3.194 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433289327 372584868 /nfs/dbraw/zinc/58/48/68/372584868.db2.gz ONRJOWFDESTZQZ-ZDUSSCGKSA-N 1 1 280.209 3.500 20 30 CGEDMO C[C@@H]1CCCC[C@@H]1OCC[N@H+](C)CC(C)(C)C#N ZINC000433309780 372588086 /nfs/dbraw/zinc/58/80/86/372588086.db2.gz CXJIVVPMMHBEHE-KGLIPLIRSA-N 1 1 252.402 3.063 20 30 CGEDMO C[C@@H]1CCCC[C@@H]1OCC[N@@H+](C)CC(C)(C)C#N ZINC000433309780 372588091 /nfs/dbraw/zinc/58/80/91/372588091.db2.gz CXJIVVPMMHBEHE-KGLIPLIRSA-N 1 1 252.402 3.063 20 30 CGEDMO C[N@H+](C[C@H]1CCC2(CCCCC2)O1)CC(C)(C)C#N ZINC000433310669 372588628 /nfs/dbraw/zinc/58/86/28/372588628.db2.gz CUBCYORGIZWLNK-CQSZACIVSA-N 1 1 264.413 3.350 20 30 CGEDMO C[N@@H+](C[C@H]1CCC2(CCCCC2)O1)CC(C)(C)C#N ZINC000433310669 372588632 /nfs/dbraw/zinc/58/86/32/372588632.db2.gz CUBCYORGIZWLNK-CQSZACIVSA-N 1 1 264.413 3.350 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@H](O)C12CCCC2 ZINC000433318918 372591576 /nfs/dbraw/zinc/59/15/76/372591576.db2.gz PFSCDUWTIGXAFG-AWEZNQCLSA-N 1 1 264.413 3.086 20 30 CGEDMO CCOc1cc(C[NH2+]CC(C)(C)C#N)ccc1OC(F)F ZINC000168921712 372623749 /nfs/dbraw/zinc/62/37/49/372623749.db2.gz KHIOUKJFKOSNQA-UHFFFAOYSA-N 1 1 298.333 3.326 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCSC(C)(C)CC1 ZINC000434667464 372700439 /nfs/dbraw/zinc/70/04/39/372700439.db2.gz XEJDYCINWISEFZ-AWEZNQCLSA-N 1 1 298.496 3.017 20 30 CGEDMO C[N@@H+](CCCCC#N)CCCOc1ccc(F)cc1 ZINC000171032215 372701902 /nfs/dbraw/zinc/70/19/02/372701902.db2.gz KLEJIQKTPDDADR-UHFFFAOYSA-N 1 1 264.344 3.220 20 30 CGEDMO C[N@H+]1CCC[C@]2(CCN(c3cccc(Cl)c3C#N)C2)C1 ZINC000294967749 372682383 /nfs/dbraw/zinc/68/23/83/372682383.db2.gz OAYZOYLTENCPTL-INIZCTEOSA-N 1 1 289.810 3.134 20 30 CGEDMO CCC[N@H+](Cc1ccccc1C#N)C[C@@H]1CCCCO1 ZINC000170958005 372688319 /nfs/dbraw/zinc/68/83/19/372688319.db2.gz LINODUNRPSIAIN-KRWDZBQOSA-N 1 1 272.392 3.339 20 30 CGEDMO CCCCC[N@H+](CC#Cc1cccc(Cl)c1)CCO ZINC000437143784 372845244 /nfs/dbraw/zinc/84/52/44/372845244.db2.gz SFOIWOHNASPGBM-UHFFFAOYSA-N 1 1 279.811 3.176 20 30 CGEDMO CO[C@@H](C)C[N@@H+](CC#Cc1cccc(Cl)c1)C(C)C ZINC000438068321 372868452 /nfs/dbraw/zinc/86/84/52/372868452.db2.gz RKONGYZRPXMZRT-AWEZNQCLSA-N 1 1 279.811 3.437 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)CCc1cccnc1 ZINC000172157748 372914740 /nfs/dbraw/zinc/91/47/40/372914740.db2.gz NJHWAHCJFBQTSG-UHFFFAOYSA-N 1 1 266.388 3.355 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(C(=O)OC)c(Cl)c1 ZINC000295866898 372941395 /nfs/dbraw/zinc/94/13/95/372941395.db2.gz CKFGPGBHYLQYKZ-UHFFFAOYSA-N 1 1 267.756 3.135 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)C[C@@H]2CCCCC2(F)F)n1 ZINC000295939792 372967158 /nfs/dbraw/zinc/96/71/58/372967158.db2.gz HXGOVDWGSJISHH-AWEZNQCLSA-N 1 1 295.377 3.164 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)C[C@@H]2CCCCC2(F)F)n1 ZINC000295939792 372967170 /nfs/dbraw/zinc/96/71/70/372967170.db2.gz HXGOVDWGSJISHH-AWEZNQCLSA-N 1 1 295.377 3.164 20 30 CGEDMO C=CC[N@@H+]1[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@@H]2CCCC[C@H]21 ZINC000439939945 372982144 /nfs/dbraw/zinc/98/21/44/372982144.db2.gz HBSSFXOGBDZPCR-UHDSXZAQSA-N 1 1 292.467 3.356 20 30 CGEDMO C[N@@H+](CCCCC(C)(C)C#N)CCC(=O)OC(C)(C)C ZINC000444647007 373219890 /nfs/dbraw/zinc/21/98/90/373219890.db2.gz DBRUWPFXPRCCOC-UHFFFAOYSA-N 1 1 282.428 3.370 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)CCN(C)c1ccccc1 ZINC000444272869 373180353 /nfs/dbraw/zinc/18/03/53/373180353.db2.gz YWEJFQCSABTTNG-UHFFFAOYSA-N 1 1 273.424 3.385 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)CCN(C)c1ccccc1 ZINC000444272869 373180362 /nfs/dbraw/zinc/18/03/62/373180362.db2.gz YWEJFQCSABTTNG-UHFFFAOYSA-N 1 1 273.424 3.385 20 30 CGEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNCc2ccc(C#N)o2)C1 ZINC000174376195 373302094 /nfs/dbraw/zinc/30/20/94/373302094.db2.gz HMEXRBICNUKDGI-CQSZACIVSA-N 1 1 289.423 3.141 20 30 CGEDMO CC[C@@H]1CCCN(C(C)(C)C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000174376195 373302098 /nfs/dbraw/zinc/30/20/98/373302098.db2.gz HMEXRBICNUKDGI-CQSZACIVSA-N 1 1 289.423 3.141 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@]2(CO)CCC)cc1 ZINC000446906152 373378281 /nfs/dbraw/zinc/37/82/81/373378281.db2.gz LUOKCNZKJMUJPB-SFHVURJKSA-N 1 1 289.419 3.378 20 30 CGEDMO CCC1(CC)CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000353609379 220188156 /nfs/dbraw/zinc/18/81/56/220188156.db2.gz NKMRZVIXLZCSDK-UHFFFAOYSA-N 1 1 282.391 3.218 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2cnc(N(C)C)nc2)CCCC1(C)C ZINC000446856059 373371922 /nfs/dbraw/zinc/37/19/22/373371922.db2.gz LSJKZPUOCDRLSP-OAHLLOKOSA-N 1 1 288.439 3.109 20 30 CGEDMO CCC[N@@H+](CCc1ccccn1)Cc1cccc(C#N)c1 ZINC000299409128 373532194 /nfs/dbraw/zinc/53/21/94/373532194.db2.gz OFWZJDRXSSVFLT-UHFFFAOYSA-N 1 1 279.387 3.408 20 30 CGEDMO C[C@H](CNc1ccc(C#N)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000301094571 373658917 /nfs/dbraw/zinc/65/89/17/373658917.db2.gz JSYKQNCZXRSSEF-UONOGXRCSA-N 1 1 257.381 3.091 20 30 CGEDMO CC#CCC[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1 ZINC000449224985 373671964 /nfs/dbraw/zinc/67/19/64/373671964.db2.gz JDTJVBGFOHHFCF-QGZVFWFLSA-N 1 1 284.447 3.085 20 30 CGEDMO C[C@@]12C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000449448622 373729981 /nfs/dbraw/zinc/72/99/81/373729981.db2.gz IRVDXHADEYBONS-XDNAFOTISA-N 1 1 264.372 3.202 20 30 CGEDMO Cc1oc(NC(=O)C[N@H+](CC(C)C)C(C)C)c(C#N)c1C ZINC000178711850 373805726 /nfs/dbraw/zinc/80/57/26/373805726.db2.gz GIIDDGNMTMVXBN-UHFFFAOYSA-N 1 1 291.395 3.073 20 30 CGEDMO COC[C@@H]([NH2+]Cc1ccccc1C#N)c1ccccc1 ZINC000179089250 373836403 /nfs/dbraw/zinc/83/64/03/373836403.db2.gz PEHPBTPTHLFEHP-QGZVFWFLSA-N 1 1 266.344 3.036 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](OCC)[C@H](C)C2)cc1 ZINC000449492355 373783910 /nfs/dbraw/zinc/78/39/10/373783910.db2.gz JBRDVCDHQJNQAJ-CRAIPNDOSA-N 1 1 289.419 3.498 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](OCC)[C@@H](C)C2)cc1 ZINC000449492358 373784720 /nfs/dbraw/zinc/78/47/20/373784720.db2.gz JBRDVCDHQJNQAJ-YJBOKZPZSA-N 1 1 289.419 3.498 20 30 CGEDMO C=CC1CC[NH+](Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000179613406 373896782 /nfs/dbraw/zinc/89/67/82/373896782.db2.gz YPTKCRLPSBIXQZ-UHFFFAOYSA-N 1 1 267.376 3.475 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@]3(CCSC3)C2)c(F)c1 ZINC000449732065 373857676 /nfs/dbraw/zinc/85/76/76/373857676.db2.gz KSUHBPQHSAHMBU-INIZCTEOSA-N 1 1 290.407 3.416 20 30 CGEDMO N#Cc1cccc(C#N)c1N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000302884581 373997992 /nfs/dbraw/zinc/99/79/92/373997992.db2.gz LVLIAQSQKYMQCY-KRWDZBQOSA-N 1 1 294.402 3.106 20 30 CGEDMO C=CC[N@H+](CC[C@H](C)O)Cc1ccc(Cl)s1 ZINC000450216166 374003131 /nfs/dbraw/zinc/00/31/31/374003131.db2.gz PIWSVXBZMHRZRZ-JTQLQIEISA-N 1 1 259.802 3.160 20 30 CGEDMO C[C@H]1CCC[N@@H+](CCCCNc2c(C#N)cccc2C#N)C1 ZINC000302823406 373975472 /nfs/dbraw/zinc/97/54/72/373975472.db2.gz FQZSKHAFHKRJNO-HNNXBMFYSA-N 1 1 296.418 3.354 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)NCCCCn1cc[nH+]c1C ZINC000180823039 374048957 /nfs/dbraw/zinc/04/89/57/374048957.db2.gz DJOOYPZRPNZTBZ-AWEZNQCLSA-N 1 1 292.427 3.016 20 30 CGEDMO COCC[N@@H+](CCCc1ccccc1)CC1(C#N)CCC1 ZINC000450300412 374049302 /nfs/dbraw/zinc/04/93/02/374049302.db2.gz RWXFAVDXCKVSPS-UHFFFAOYSA-N 1 1 286.419 3.261 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H]([C@H](C)O)C2)cc1Cl ZINC000180864574 374054755 /nfs/dbraw/zinc/05/47/55/374054755.db2.gz LVXXLOKFLQDVPM-GXTWGEPZSA-N 1 1 295.810 3.108 20 30 CGEDMO N#CC1(C[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)CCC1 ZINC000450349837 374074168 /nfs/dbraw/zinc/07/41/68/374074168.db2.gz VKOYFXJSCQAWKN-OAHLLOKOSA-N 1 1 298.386 3.289 20 30 CGEDMO N#CC1(C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)CCC1 ZINC000450349837 374074177 /nfs/dbraw/zinc/07/41/77/374074177.db2.gz VKOYFXJSCQAWKN-OAHLLOKOSA-N 1 1 298.386 3.289 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000181382370 374116236 /nfs/dbraw/zinc/11/62/36/374116236.db2.gz HHGBZKDHKIQENV-JKSUJKDBSA-N 1 1 295.471 3.105 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCCC(=O)OC(C)(C)C ZINC000181529614 374137284 /nfs/dbraw/zinc/13/72/84/374137284.db2.gz ZAACHMSOGVBEIQ-UHFFFAOYSA-N 1 1 255.402 3.396 20 30 CGEDMO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@@H](C)c1cccc(C#N)c1 ZINC000181567868 374142041 /nfs/dbraw/zinc/14/20/41/374142041.db2.gz GAGRWRUSQSDQHP-OAGGEKHMSA-N 1 1 285.435 3.329 20 30 CGEDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)N[C@@H](C)c1cccc(C#N)c1 ZINC000181567868 374142047 /nfs/dbraw/zinc/14/20/47/374142047.db2.gz GAGRWRUSQSDQHP-OAGGEKHMSA-N 1 1 285.435 3.329 20 30 CGEDMO Cc1nc(NCCC[N@H+](C)Cc2ccccc2)ccc1C#N ZINC000309690014 374192226 /nfs/dbraw/zinc/19/22/26/374192226.db2.gz CQQRIBXNOQLNHN-UHFFFAOYSA-N 1 1 294.402 3.196 20 30 CGEDMO C[C@H]1C[N@H+](Cc2ccc(Br)cc2C#N)C[C@H]1C ZINC000310388798 374214319 /nfs/dbraw/zinc/21/43/19/374214319.db2.gz RDIQJBIVWSVRHM-PHIMTYICSA-N 1 1 293.208 3.409 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(Br)cc2C#N)C[C@H]1C ZINC000310388798 374214323 /nfs/dbraw/zinc/21/43/23/374214323.db2.gz RDIQJBIVWSVRHM-PHIMTYICSA-N 1 1 293.208 3.409 20 30 CGEDMO COC[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000452101950 374235145 /nfs/dbraw/zinc/23/51/45/374235145.db2.gz KEANYAZCSLLDJL-CYBMUJFWSA-N 1 1 292.810 3.460 20 30 CGEDMO COC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000452101950 374235150 /nfs/dbraw/zinc/23/51/50/374235150.db2.gz KEANYAZCSLLDJL-CYBMUJFWSA-N 1 1 292.810 3.460 20 30 CGEDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000314782509 374321645 /nfs/dbraw/zinc/32/16/45/374321645.db2.gz ITCSTSUQDDOBMS-RHSMWYFYSA-N 1 1 299.418 3.397 20 30 CGEDMO C=CC[N@@H+](CCCn1ccnc1)CC1CCCCC1 ZINC000182779489 374326449 /nfs/dbraw/zinc/32/64/49/374326449.db2.gz MSVIOHOKIYUAKZ-UHFFFAOYSA-N 1 1 261.413 3.342 20 30 CGEDMO CC(C)c1nn(C)cc1NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000329315692 374403284 /nfs/dbraw/zinc/40/32/84/374403284.db2.gz HHTRTCADODYIJL-CYBMUJFWSA-N 1 1 292.427 3.396 20 30 CGEDMO C[C@H](CNC(=O)c1coc(C2CCCC2)n1)[N@@H+](C)C1CC1 ZINC000328765365 374380275 /nfs/dbraw/zinc/38/02/75/374380275.db2.gz PDHDCNHONLTVRF-LLVKDONJSA-N 1 1 291.395 3.120 20 30 CGEDMO CCCCOc1ccc(C[NH2+]C[C@@H](C)C#N)cc1OC ZINC000183839878 374464345 /nfs/dbraw/zinc/46/43/45/374464345.db2.gz XSZHTPNTBTVGFO-ZDUSSCGKSA-N 1 1 276.380 3.123 20 30 CGEDMO CCCc1ncc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)o1 ZINC000453378642 374466040 /nfs/dbraw/zinc/46/60/40/374466040.db2.gz KOPZTZBYQFWYGV-NSHDSACASA-N 1 1 287.338 3.489 20 30 CGEDMO C[N@H+](CCc1nccs1)Cc1ccc(Cl)cc1C#N ZINC000187325699 375003300 /nfs/dbraw/zinc/00/33/00/375003300.db2.gz XGASNEBHKKAILE-UHFFFAOYSA-N 1 1 291.807 3.343 20 30 CGEDMO C[N@@H+](CCc1nccs1)Cc1ccc(Cl)cc1C#N ZINC000187325699 375003306 /nfs/dbraw/zinc/00/33/06/375003306.db2.gz XGASNEBHKKAILE-UHFFFAOYSA-N 1 1 291.807 3.343 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000472737142 375031162 /nfs/dbraw/zinc/03/11/62/375031162.db2.gz OZNSAFAPWRAQHN-MSOLQXFVSA-N 1 1 273.420 3.367 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](CC)Cc1cccc(Cl)c1 ZINC000472744793 375031589 /nfs/dbraw/zinc/03/15/89/375031589.db2.gz DEROVKNVWNFEOR-HNNXBMFYSA-N 1 1 267.800 3.489 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000472752658 375034035 /nfs/dbraw/zinc/03/40/35/375034035.db2.gz PVMNMGVRQOBRCL-QZTJIDSGSA-N 1 1 273.420 3.411 20 30 CGEDMO CCC[N@@H+](C)C[C@H]1CCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187705821 375077372 /nfs/dbraw/zinc/07/73/72/375077372.db2.gz CTOZZHCFGUCHFU-DOTOQJQBSA-N 1 1 285.435 3.283 20 30 CGEDMO Cc1ccc2c(c1)nc(C[NH2+]Cc1ccc(C#N)cc1)n2C ZINC000187576528 375043955 /nfs/dbraw/zinc/04/39/55/375043955.db2.gz GWRGBKPTCSDSLA-UHFFFAOYSA-N 1 1 290.370 3.043 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)C[C@@H]1CC[C@H](C)O1 ZINC000475048492 375130259 /nfs/dbraw/zinc/13/02/59/375130259.db2.gz PJEPSEWHPSEOHV-RDJZCZTQSA-N 1 1 259.393 3.285 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)C[C@H]1CC[C@@H](C)O1 ZINC000475048491 375130281 /nfs/dbraw/zinc/13/02/81/375130281.db2.gz PJEPSEWHPSEOHV-NVXWUHKLSA-N 1 1 259.393 3.285 20 30 CGEDMO C=CCOc1ccccc1C[NH2+][C@@H](C)c1nccnc1C ZINC000187997675 375135465 /nfs/dbraw/zinc/13/54/65/375135465.db2.gz PXGIMZXHUXXFOX-AWEZNQCLSA-N 1 1 283.375 3.201 20 30 CGEDMO C[C@@H]1CC[C@@](CO)([N@@H+](C)Cc2ccc(Cl)cc2C#N)C1 ZINC000188007059 375138701 /nfs/dbraw/zinc/13/87/01/375138701.db2.gz VWNCWSVKAVJCNH-MLGOLLRUSA-N 1 1 292.810 3.195 20 30 CGEDMO CC#CC[N@@H+](CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000481304071 375163680 /nfs/dbraw/zinc/16/36/80/375163680.db2.gz CKYNRSXKPYIGBF-MRXNPFEDSA-N 1 1 256.393 3.440 20 30 CGEDMO CC#CC[N@@H+](CC(C)C)[C@H]1CCCc2cccnc21 ZINC000481304069 375163814 /nfs/dbraw/zinc/16/38/14/375163814.db2.gz CKYNRSXKPYIGBF-INIZCTEOSA-N 1 1 256.393 3.440 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000481705201 375165652 /nfs/dbraw/zinc/16/56/52/375165652.db2.gz SARZZJSGDXSRNM-QGZVFWFLSA-N 1 1 257.377 3.474 20 30 CGEDMO CN(Cc1ccccc1C(C)(C)C#N)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000487380305 375235345 /nfs/dbraw/zinc/23/53/45/375235345.db2.gz RCZGSDMUYJZBLY-QGZVFWFLSA-N 1 1 297.446 3.156 20 30 CGEDMO C[N@H+](Cc1ccccc1C(C)(C)C#N)[C@@H]1CCN(C2CC2)C1 ZINC000487380305 375235353 /nfs/dbraw/zinc/23/53/53/375235353.db2.gz RCZGSDMUYJZBLY-QGZVFWFLSA-N 1 1 297.446 3.156 20 30 CGEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@@H]1CCN(C2CC2)C1 ZINC000487380305 375235360 /nfs/dbraw/zinc/23/53/60/375235360.db2.gz RCZGSDMUYJZBLY-QGZVFWFLSA-N 1 1 297.446 3.156 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1 ZINC000289482498 197368891 /nfs/dbraw/zinc/36/88/91/197368891.db2.gz IIOULKDYGWFMGQ-IAGOWNOFSA-N 1 1 282.387 3.092 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000335235310 375253071 /nfs/dbraw/zinc/25/30/71/375253071.db2.gz SUCDXGJJOFUWLK-GOSISDBHSA-N 1 1 296.414 3.339 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@H](C)C[C@@H]2C)c1C ZINC000485129542 375190458 /nfs/dbraw/zinc/19/04/58/375190458.db2.gz ZXPJHBMERNJLGV-OLZOCXBDSA-N 1 1 274.408 3.204 20 30 CGEDMO OCC[N@@H+](CC#Cc1ccc(F)cc1)CC1CCCCC1 ZINC000485873487 375193787 /nfs/dbraw/zinc/19/37/87/375193787.db2.gz NEZXXSKZBVJSFU-UHFFFAOYSA-N 1 1 289.394 3.052 20 30 CGEDMO C=CCOc1ccc(CNc2[nH]c3ccc(F)cc3[nH+]2)cc1 ZINC000485957107 375194597 /nfs/dbraw/zinc/19/45/97/375194597.db2.gz YLBYJSZCDHPJDC-UHFFFAOYSA-N 1 1 297.333 3.301 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1[C@@H](C)CCC ZINC000486792653 375197858 /nfs/dbraw/zinc/19/78/58/375197858.db2.gz VIYNUUSZCDFBLF-JKSUJKDBSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)C[C@@H](O)CC(F)(F)F ZINC000188914630 375291256 /nfs/dbraw/zinc/29/12/56/375291256.db2.gz WCDKRDMGWQIZOQ-AWEZNQCLSA-N 1 1 287.325 3.030 20 30 CGEDMO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1nc(C#N)cs1 ZINC000335728830 375383677 /nfs/dbraw/zinc/38/36/77/375383677.db2.gz OPIPXQKGTLXVTR-SWLSCSKDSA-N 1 1 283.400 3.393 20 30 CGEDMO CO[C@@]1(C)CCC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000335763651 375410696 /nfs/dbraw/zinc/41/06/96/375410696.db2.gz QETKMOBPMABRNQ-BBRMVZONSA-N 1 1 258.365 3.120 20 30 CGEDMO C/C(=C/c1ccccc1)C[N@H+](C)C[C@@H](C#N)CCC#N ZINC000494269022 375486082 /nfs/dbraw/zinc/48/60/82/375486082.db2.gz UIIHOJBFAOQUJT-JBXOJTMHSA-N 1 1 267.376 3.465 20 30 CGEDMO C/C(=C/c1ccccc1)C[N@@H+](C)C[C@@H](C#N)CCC#N ZINC000494269022 375486088 /nfs/dbraw/zinc/48/60/88/375486088.db2.gz UIIHOJBFAOQUJT-JBXOJTMHSA-N 1 1 267.376 3.465 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1 ZINC000289482493 197368589 /nfs/dbraw/zinc/36/85/89/197368589.db2.gz IIOULKDYGWFMGQ-DLBZAZTESA-N 1 1 282.387 3.092 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000496319583 375528686 /nfs/dbraw/zinc/52/86/86/375528686.db2.gz CYTOTBQGGWMTRR-MRXNPFEDSA-N 1 1 282.428 3.189 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000498799877 375628467 /nfs/dbraw/zinc/62/84/67/375628467.db2.gz SDYGLDIIDKLNTR-LSDHHAIUSA-N 1 1 292.467 3.358 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@]3(CCCOC3)C2)ccc1F ZINC000336050214 375647742 /nfs/dbraw/zinc/64/77/42/375647742.db2.gz OVNACIDOVBOERD-KRWDZBQOSA-N 1 1 288.366 3.090 20 30 CGEDMO CC(C)[C@H]1CCC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000499697744 375632206 /nfs/dbraw/zinc/63/22/06/375632206.db2.gz VNHUNCMBABPCKY-INIZCTEOSA-N 1 1 278.440 3.455 20 30 CGEDMO Cc1csc(C(C)(C)[NH2+]Cc2ccc(C#N)c(F)c2)n1 ZINC000192106899 375698246 /nfs/dbraw/zinc/69/82/46/375698246.db2.gz BQKXJJBRMXHPKW-UHFFFAOYSA-N 1 1 289.379 3.487 20 30 CGEDMO CSCC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192107852 375698632 /nfs/dbraw/zinc/69/86/32/375698632.db2.gz FQHXBAFMRNZXAE-LLVKDONJSA-N 1 1 266.385 3.271 20 30 CGEDMO CS[C@H]1CCCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000192120817 375701487 /nfs/dbraw/zinc/70/14/87/375701487.db2.gz HBHKKDKFSKVPPD-AWEZNQCLSA-N 1 1 278.396 3.415 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCCOc1ccc(F)cc1 ZINC000509297214 375777648 /nfs/dbraw/zinc/77/76/48/375777648.db2.gz WQYQTPIKHDMCTO-UHFFFAOYSA-N 1 1 251.345 3.493 20 30 CGEDMO C=CCCCCCNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000516086026 375817910 /nfs/dbraw/zinc/81/79/10/375817910.db2.gz OXZPACCEUOKQQB-HOTGVXAUSA-N 1 1 295.471 3.247 20 30 CGEDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000336615857 375877812 /nfs/dbraw/zinc/87/78/12/375877812.db2.gz JAQXKRKSWNHHHO-CABZTGNLSA-N 1 1 286.272 3.470 20 30 CGEDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000336615857 375877817 /nfs/dbraw/zinc/87/78/17/375877817.db2.gz JAQXKRKSWNHHHO-CABZTGNLSA-N 1 1 286.272 3.470 20 30 CGEDMO C=CC[N@H+](Cc1cncn1Cc1ccccc1)C1CC1 ZINC000527074998 375892632 /nfs/dbraw/zinc/89/26/32/375892632.db2.gz SDIVRPJXXZXMOA-UHFFFAOYSA-N 1 1 267.376 3.082 20 30 CGEDMO C=CC[N@@H+](Cc1cncn1Cc1ccccc1)C1CC1 ZINC000527074998 375892640 /nfs/dbraw/zinc/89/26/40/375892640.db2.gz SDIVRPJXXZXMOA-UHFFFAOYSA-N 1 1 267.376 3.082 20 30 CGEDMO CO[C@@]1(C)CCC[N@@H+](Cc2cccc(C#N)c2F)CC1 ZINC000336634370 375894026 /nfs/dbraw/zinc/89/40/26/375894026.db2.gz GJZSGRSCTZEFLI-INIZCTEOSA-N 1 1 276.355 3.088 20 30 CGEDMO C[N@@H+]1Cc2ccc(NC(=O)Nc3cccc(C#N)c3)cc2C1 ZINC000193596157 375895828 /nfs/dbraw/zinc/89/58/28/375895828.db2.gz OXHFUNVJLMAVBJ-UHFFFAOYSA-N 1 1 292.342 3.148 20 30 CGEDMO C[N@H+]1Cc2ccc(NC(=O)Nc3cccc(C#N)c3)cc2C1 ZINC000193596157 375895837 /nfs/dbraw/zinc/89/58/37/375895837.db2.gz OXHFUNVJLMAVBJ-UHFFFAOYSA-N 1 1 292.342 3.148 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@H]1Cc1cccc(OC)c1 ZINC000532379035 375950483 /nfs/dbraw/zinc/95/04/83/375950483.db2.gz RVIAFQZUFFCQRT-IRXDYDNUSA-N 1 1 289.419 3.029 20 30 CGEDMO Cc1nc2sccn2c1C[N@H+](C)CCC(C)(C)C#N ZINC000336802075 375950384 /nfs/dbraw/zinc/95/03/84/375950384.db2.gz SMDPUGBIMBYDBY-UHFFFAOYSA-N 1 1 276.409 3.076 20 30 CGEDMO Cc1nc2sccn2c1C[N@@H+](C)CCC(C)(C)C#N ZINC000336802075 375950390 /nfs/dbraw/zinc/95/03/90/375950390.db2.gz SMDPUGBIMBYDBY-UHFFFAOYSA-N 1 1 276.409 3.076 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1Cc1cccc(OC)c1 ZINC000532379028 375950676 /nfs/dbraw/zinc/95/06/76/375950676.db2.gz RVIAFQZUFFCQRT-DLBZAZTESA-N 1 1 289.419 3.029 20 30 CGEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)c2ccc(C)cc2C)C1=O ZINC000337129386 376088703 /nfs/dbraw/zinc/08/87/03/376088703.db2.gz IODCDZLUZUJJQD-DOTOQJQBSA-N 1 1 286.419 3.083 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1cnc(OC)nc1C ZINC000337143069 376097990 /nfs/dbraw/zinc/09/79/90/376097990.db2.gz UUDVHXQIMPFFGC-UHFFFAOYSA-N 1 1 297.402 3.024 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000536594872 376101125 /nfs/dbraw/zinc/10/11/25/376101125.db2.gz PZMFPFXNAUBZLY-LBPRGKRZSA-N 1 1 260.381 3.433 20 30 CGEDMO CC(C)(C)[N@H+]1CCCN(Cc2ccc(C#N)cc2F)CC1 ZINC000535822345 376066851 /nfs/dbraw/zinc/06/68/51/376066851.db2.gz QQXOKHPPYDBZOX-UHFFFAOYSA-N 1 1 289.398 3.004 20 30 CGEDMO C=CC[C@H](CC)NC(=O)[C@@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000337080822 376073603 /nfs/dbraw/zinc/07/36/03/376073603.db2.gz XQFUEGJZJQXAGJ-OLZOCXBDSA-N 1 1 289.423 3.109 20 30 CGEDMO C[C@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)C[C@H](C)C1 ZINC000337196352 376129037 /nfs/dbraw/zinc/12/90/37/376129037.db2.gz XIPDOCDHSOCYAO-JKSUJKDBSA-N 1 1 278.440 3.455 20 30 CGEDMO C[C@@H]1CCCC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337206948 376137593 /nfs/dbraw/zinc/13/75/93/376137593.db2.gz NMAUFODNPDSUTK-OAHLLOKOSA-N 1 1 264.413 3.209 20 30 CGEDMO C=CCCC[C@@H](C)NC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000539464257 376313227 /nfs/dbraw/zinc/31/32/27/376313227.db2.gz FXYPOMHMFJNNPA-OAHLLOKOSA-N 1 1 295.471 3.247 20 30 CGEDMO C=C(CC)C[N@H+](CCC)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000539103676 376294854 /nfs/dbraw/zinc/29/48/54/376294854.db2.gz AWWPLFGZCTYTKH-RBSFLKMASA-N 1 1 251.414 3.478 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000338546104 376418483 /nfs/dbraw/zinc/41/84/83/376418483.db2.gz KTESQAKOFHEQPV-UONOGXRCSA-N 1 1 286.202 3.459 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000540296712 376369817 /nfs/dbraw/zinc/36/98/17/376369817.db2.gz BDWRJJJDUXSVQD-GJZGRUSLSA-N 1 1 261.413 3.029 20 30 CGEDMO CC#CC[NH2+][C@H](c1ccc(OC)cc1)c1ccccc1OC ZINC000540614187 376386379 /nfs/dbraw/zinc/38/63/79/376386379.db2.gz ASZAQQXGRJRHCM-LJQANCHMSA-N 1 1 295.382 3.406 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(F)cc1)C[C@@H]1CC=CCC1 ZINC000541316031 376435980 /nfs/dbraw/zinc/43/59/80/376435980.db2.gz ZGQXCJHDWBOUPV-MRXNPFEDSA-N 1 1 257.352 3.465 20 30 CGEDMO C=CC[N@@H+](CCCC(=O)OCC)Cc1ccccc1F ZINC000338727746 376502883 /nfs/dbraw/zinc/50/28/83/376502883.db2.gz CYQNCUBMGXBCIL-UHFFFAOYSA-N 1 1 279.355 3.157 20 30 CGEDMO C=CC[N@H+](CCCC(=O)OCC)Cc1ccccc1F ZINC000338727746 376502890 /nfs/dbraw/zinc/50/28/90/376502890.db2.gz CYQNCUBMGXBCIL-UHFFFAOYSA-N 1 1 279.355 3.157 20 30 CGEDMO CC[N@H+](Cc1ccc(OC)c(C#N)c1)CC1CCC1 ZINC000230316561 376505508 /nfs/dbraw/zinc/50/55/08/376505508.db2.gz UZHMCRBCXUQBOC-UHFFFAOYSA-N 1 1 258.365 3.189 20 30 CGEDMO N#Cc1cc(C(F)(F)F)ccc1NCC[N@@H+]1CC=CCC1 ZINC000338711360 376494697 /nfs/dbraw/zinc/49/46/97/376494697.db2.gz JSZAWJIQDUBRLE-UHFFFAOYSA-N 1 1 295.308 3.251 20 30 CGEDMO N#CCC1CC[NH+](Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000541922181 376495330 /nfs/dbraw/zinc/49/53/30/376495330.db2.gz QJWLSZCFAVBUCK-UHFFFAOYSA-N 1 1 280.375 3.202 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1C ZINC000338992229 376616501 /nfs/dbraw/zinc/61/65/01/376616501.db2.gz KFCABCAAESJGKK-GOSISDBHSA-N 1 1 298.430 3.333 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1ccn(-c2ccccc2)n1 ZINC000338991376 376616717 /nfs/dbraw/zinc/61/67/17/376616717.db2.gz PPCPCZHFMNJAHV-UHFFFAOYSA-N 1 1 255.365 3.270 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccn(-c2ccccc2)n1 ZINC000338991376 376616720 /nfs/dbraw/zinc/61/67/20/376616720.db2.gz PPCPCZHFMNJAHV-UHFFFAOYSA-N 1 1 255.365 3.270 20 30 CGEDMO C[C@H]1CC[C@H]([N@@H+](C)CCOc2cccc(C#N)c2)C1 ZINC000338995610 376618795 /nfs/dbraw/zinc/61/87/95/376618795.db2.gz NIOOTHBLDGYWOM-ZFWWWQNUSA-N 1 1 258.365 3.057 20 30 CGEDMO C[N@@H+](CCc1ccccc1)Cc1cn2ccccc2c1C#N ZINC000339006863 376625655 /nfs/dbraw/zinc/62/56/55/376625655.db2.gz FSMSZDPSEFFFLD-UHFFFAOYSA-N 1 1 289.382 3.485 20 30 CGEDMO C=C1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000264516403 190115489 /nfs/dbraw/zinc/11/54/89/190115489.db2.gz ZDMTVZUSLDLVMI-UHFFFAOYSA-N 1 1 254.333 3.494 20 30 CGEDMO Cc1cc(C)cc([C@@H]2CC[N@@H+](CC3(C#N)CC3)C2)c1 ZINC000544186906 376713588 /nfs/dbraw/zinc/71/35/88/376713588.db2.gz IJBVAVPMQQPUAS-OAHLLOKOSA-N 1 1 254.377 3.397 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000544442716 376737749 /nfs/dbraw/zinc/73/77/49/376737749.db2.gz UMYPGOKICXBMRY-COXVUDFISA-N 1 1 286.419 3.348 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCc2cc(OC)c(Cl)cc2C1 ZINC000339735559 376829252 /nfs/dbraw/zinc/82/92/52/376829252.db2.gz OMNQLSFXPOFQJN-CQSZACIVSA-N 1 1 295.810 3.034 20 30 CGEDMO C=CCOCCC[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000339709436 376817094 /nfs/dbraw/zinc/81/70/94/376817094.db2.gz UGIWSBSRNDSSCH-MRXNPFEDSA-N 1 1 295.810 3.306 20 30 CGEDMO C=CCOCCC[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000339709436 376817099 /nfs/dbraw/zinc/81/70/99/376817099.db2.gz UGIWSBSRNDSSCH-MRXNPFEDSA-N 1 1 295.810 3.306 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(Cl)cc1)C[C@@H]1CCCC[C@H]1O ZINC000245525676 376842571 /nfs/dbraw/zinc/84/25/71/376842571.db2.gz ABQNINGDNZDQQP-DOTOQJQBSA-N 1 1 291.822 3.174 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000246658714 377069907 /nfs/dbraw/zinc/06/99/07/377069907.db2.gz CVWMXFJQVNCCKP-HZPDHXFCSA-N 1 1 291.460 3.428 20 30 CGEDMO CSCC[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000340686399 377218135 /nfs/dbraw/zinc/21/81/35/377218135.db2.gz SLDFHXAFSWNIHF-UHFFFAOYSA-N 1 1 262.422 3.379 20 30 CGEDMO Cc1ccccc1[C@H]1C[N@H+](CCCC#N)[C@@H](C)CO1 ZINC000247704001 377236201 /nfs/dbraw/zinc/23/62/01/377236201.db2.gz YMUPOWYNFHROJW-GOEBONIOSA-N 1 1 258.365 3.061 20 30 CGEDMO Cc1ccccc1[C@H]1C[N@@H+](CCCC#N)[C@@H](C)CO1 ZINC000247704001 377236207 /nfs/dbraw/zinc/23/62/07/377236207.db2.gz YMUPOWYNFHROJW-GOEBONIOSA-N 1 1 258.365 3.061 20 30 CGEDMO C[N@H+](CCOCc1ccccc1)Cc1cccc(C#N)c1F ZINC000340912440 377317287 /nfs/dbraw/zinc/31/72/87/377317287.db2.gz RINSIKWHTPCTNZ-UHFFFAOYSA-N 1 1 298.361 3.346 20 30 CGEDMO C[N@@H+](CCOCc1ccccc1)Cc1cccc(C#N)c1F ZINC000340912440 377317297 /nfs/dbraw/zinc/31/72/97/377317297.db2.gz RINSIKWHTPCTNZ-UHFFFAOYSA-N 1 1 298.361 3.346 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)[C@@H]2CCCC[C@H]21 ZINC000248374170 377299697 /nfs/dbraw/zinc/29/96/97/377299697.db2.gz OFLHHHPWVLMWEZ-XOKHGSTOSA-N 1 1 294.402 3.216 20 30 CGEDMO Cc1ccccc1[C@@H]1C[N@H+]([C@@H](C)CCC#N)CCO1 ZINC000563794426 377472668 /nfs/dbraw/zinc/47/26/68/377472668.db2.gz BNLKRHSEOJUQGZ-HOCLYGCPSA-N 1 1 258.365 3.061 20 30 CGEDMO Cc1ccccc1[C@@H]1C[N@@H+]([C@@H](C)CCC#N)CCO1 ZINC000563794426 377472679 /nfs/dbraw/zinc/47/26/79/377472679.db2.gz BNLKRHSEOJUQGZ-HOCLYGCPSA-N 1 1 258.365 3.061 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CC[C@H](c3ccncc3)C2)cc1 ZINC000564402076 377475541 /nfs/dbraw/zinc/47/55/41/377475541.db2.gz BGFGRWPBAIEKDX-KRWDZBQOSA-N 1 1 280.346 3.062 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000565301883 377485279 /nfs/dbraw/zinc/48/52/79/377485279.db2.gz WQJVIEYGDRXPSZ-GOSISDBHSA-N 1 1 298.430 3.489 20 30 CGEDMO C=CC[N@@H+](Cc1cn(C(C)C)nn1)CC1CCCCC1 ZINC000565800065 377491206 /nfs/dbraw/zinc/49/12/06/377491206.db2.gz DSPMBLSGPZHXIZ-UHFFFAOYSA-N 1 1 276.428 3.427 20 30 CGEDMO C=CC[N@H+](Cc1cn(C(C)C)nn1)CC1CCCCC1 ZINC000565800065 377491218 /nfs/dbraw/zinc/49/12/18/377491218.db2.gz DSPMBLSGPZHXIZ-UHFFFAOYSA-N 1 1 276.428 3.427 20 30 CGEDMO CC1(C)CCC[N@@H+](CCOc2ccc(C#N)cc2)CC1 ZINC000087657802 249024811 /nfs/dbraw/zinc/02/48/11/249024811.db2.gz KBOQELKMDKAVHK-UHFFFAOYSA-N 1 1 272.392 3.449 20 30 CGEDMO CC[C@H](C)C[N@@H+](CC)CCOc1ccc(C#N)cc1 ZINC000093250951 249036448 /nfs/dbraw/zinc/03/64/48/249036448.db2.gz MZOLOGATXVYOKQ-AWEZNQCLSA-N 1 1 260.381 3.305 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc2oc(C(=O)OC)cc2c1 ZINC000568180772 377516283 /nfs/dbraw/zinc/51/62/83/377516283.db2.gz BPYUYWNZPWNFQJ-CYBMUJFWSA-N 1 1 286.331 3.001 20 30 CGEDMO C[C@H]1Cc2[nH+]cn(Cc3cccc(C#N)c3)c2C[C@@H]1C ZINC000313370998 249090686 /nfs/dbraw/zinc/09/06/86/249090686.db2.gz PSVRDOHFBKXGIC-STQMWFEESA-N 1 1 265.360 3.174 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H]1CCCC[C@@H]1O ZINC000569931763 377531149 /nfs/dbraw/zinc/53/11/49/377531149.db2.gz KMYNUSLMVBHFIX-RDGPPVDQSA-N 1 1 298.430 3.309 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000573411531 377555995 /nfs/dbraw/zinc/55/59/95/377555995.db2.gz RZBDFAFEKZGRPO-GJZGRUSLSA-N 1 1 267.413 3.001 20 30 CGEDMO C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)[C@H]1C ZINC000250568213 377563644 /nfs/dbraw/zinc/56/36/44/377563644.db2.gz VMVWGPJFMXRXQP-KBPBESRZSA-N 1 1 285.391 3.007 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)nc1 ZINC000516781856 249244280 /nfs/dbraw/zinc/24/42/80/249244280.db2.gz YPKMXFHBXHWMGX-KRWDZBQOSA-N 1 1 291.398 3.408 20 30 CGEDMO N#Cc1cccc(CN2CCC[N@H+](C3CCCC3)CC2)c1 ZINC000265648242 190196590 /nfs/dbraw/zinc/19/65/90/190196590.db2.gz MZXSUOOESQXYDZ-UHFFFAOYSA-N 1 1 283.419 3.009 20 30 CGEDMO CCN1CC[C@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)[C@@H](C)C1 ZINC000341707613 377614287 /nfs/dbraw/zinc/61/42/87/377614287.db2.gz NGQFEDXVEKQCEO-ZOCIIQOWSA-N 1 1 297.446 3.256 20 30 CGEDMO N#Cc1c(Cl)cccc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252673210 377649750 /nfs/dbraw/zinc/64/97/50/377649750.db2.gz HIWONBPOLOPFNK-NEPJUHHUSA-N 1 1 275.783 3.250 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(OC)c(Br)c1 ZINC000342731051 377760089 /nfs/dbraw/zinc/76/00/89/377760089.db2.gz ZYQYURUEJQOCSF-UHFFFAOYSA-N 1 1 284.197 3.466 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000342740226 377766352 /nfs/dbraw/zinc/76/63/52/377766352.db2.gz RCCMYFJZAUBGDT-CQSZACIVSA-N 1 1 260.381 3.138 20 30 CGEDMO C=CCC[N@H+](C)CC1(COc2cccc(COC)c2)CC1 ZINC000342739603 377766647 /nfs/dbraw/zinc/76/66/47/377766647.db2.gz PEWIVQQNULABFE-UHFFFAOYSA-N 1 1 289.419 3.500 20 30 CGEDMO N#CC1(C[NH+]2CCC(OC3CCCCC3)CC2)CC1 ZINC000343324268 377953305 /nfs/dbraw/zinc/95/33/05/377953305.db2.gz WJMMDXPONKKRLW-UHFFFAOYSA-N 1 1 262.397 3.104 20 30 CGEDMO CCOC[C@H]1CCC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000343529282 378007538 /nfs/dbraw/zinc/00/75/38/378007538.db2.gz NDBOINHYIBQZNQ-KRWDZBQOSA-N 1 1 272.392 3.001 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2ccc(OCC#N)cc2)[C@H]1C ZINC000266011176 378013498 /nfs/dbraw/zinc/01/34/98/378013498.db2.gz SAHPCQUTMFSYJO-KBPBESRZSA-N 1 1 258.365 3.209 20 30 CGEDMO Cc1ccnc(N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c1C#N ZINC000343433885 377978572 /nfs/dbraw/zinc/97/85/72/377978572.db2.gz IXTCYBBKZOOXIV-OWCLPIDISA-N 1 1 298.434 3.103 20 30 CGEDMO C=C1CC[NH+](C[C@H](O)c2ccccc2Cl)CC1 ZINC000264455498 377986484 /nfs/dbraw/zinc/98/64/84/377986484.db2.gz JBRKJRYKTVMTKF-AWEZNQCLSA-N 1 1 251.757 3.025 20 30 CGEDMO CC[N@@H+](Cc1ccc(OCC#N)cc1)C1CCCC1 ZINC000264543238 377988878 /nfs/dbraw/zinc/98/88/78/377988878.db2.gz IGHZUCARKQCPKH-UHFFFAOYSA-N 1 1 258.365 3.353 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc(Br)cc2c1OCC2 ZINC000343501038 377996461 /nfs/dbraw/zinc/99/64/61/377996461.db2.gz XKUOXORGTGWWRK-UHFFFAOYSA-N 1 1 296.208 3.392 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+](C)CC[C@H]1CCCO1 ZINC000343500392 377996906 /nfs/dbraw/zinc/99/69/06/377996906.db2.gz WMZDRNXIZWPJHL-MRXNPFEDSA-N 1 1 275.392 3.252 20 30 CGEDMO CCCC(N)=[NH+]OCc1ncc(-c2ccccc2F)o1 ZINC000267885512 378046635 /nfs/dbraw/zinc/04/66/35/378046635.db2.gz QQIRTACVDFNGDM-UHFFFAOYSA-N 1 1 277.299 3.070 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000268303274 378052741 /nfs/dbraw/zinc/05/27/41/378052741.db2.gz VKYJYSRFSQOLBN-LSDHHAIUSA-N 1 1 290.407 3.497 20 30 CGEDMO C[C@@H](c1ccccc1F)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000268633043 378084834 /nfs/dbraw/zinc/08/48/34/378084834.db2.gz QJEVLLNNYSFERT-SCLBCKFNSA-N 1 1 298.361 3.424 20 30 CGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000268646879 378086268 /nfs/dbraw/zinc/08/62/68/378086268.db2.gz FSSKUFCRKPQRTM-RTBURBONSA-N 1 1 292.382 3.081 20 30 CGEDMO N#CCc1ccc(C[N@@H+]2CC=C(C(F)(F)F)CC2)cc1 ZINC000343749836 378083085 /nfs/dbraw/zinc/08/30/85/378083085.db2.gz MUIUECDBGNHTMJ-UHFFFAOYSA-N 1 1 280.293 3.447 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000343752094 378083187 /nfs/dbraw/zinc/08/31/87/378083187.db2.gz RXFWBQOSJZZGSP-NSHDSACASA-N 1 1 287.329 3.194 20 30 CGEDMO C[N@H+](Cc1cc(F)ccc1C#N)C[C@H]1CC=CCC1 ZINC000344012372 378154038 /nfs/dbraw/zinc/15/40/38/378154038.db2.gz BSYNGMDCWORHEP-ZDUSSCGKSA-N 1 1 258.340 3.485 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H](O)C(C)(C)C ZINC000343949678 378141054 /nfs/dbraw/zinc/14/10/54/378141054.db2.gz WZALRQCFDCLORV-INIZCTEOSA-N 1 1 293.455 3.249 20 30 CGEDMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2CC2(C#N)CC2)c1 ZINC000344036225 378155081 /nfs/dbraw/zinc/15/50/81/378155081.db2.gz FXNZKRJGGLPVSP-XJKSGUPXSA-N 1 1 270.376 3.382 20 30 CGEDMO C=C[C@H](CC(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2)c1ccccc1 ZINC000579528601 378168375 /nfs/dbraw/zinc/16/83/75/378168375.db2.gz QWVJGKHLTNFKEI-BPQIPLTHSA-N 1 1 298.430 3.041 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)Cc1cccc2nsnc21 ZINC000269005937 378172906 /nfs/dbraw/zinc/17/29/06/378172906.db2.gz LEWPMOWWNUMNBE-UHFFFAOYSA-N 1 1 288.420 3.453 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1cccc2nsnc21 ZINC000269005937 378172913 /nfs/dbraw/zinc/17/29/13/378172913.db2.gz LEWPMOWWNUMNBE-UHFFFAOYSA-N 1 1 288.420 3.453 20 30 CGEDMO Cc1ccnc([C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)c1 ZINC000582070865 378283987 /nfs/dbraw/zinc/28/39/87/378283987.db2.gz AIIHZSFPUUJQSY-HNNXBMFYSA-N 1 1 295.361 3.390 20 30 CGEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)CC(C)(C)CCC#N ZINC000580128766 378227116 /nfs/dbraw/zinc/22/71/16/378227116.db2.gz VSJQGSSZVYRBPP-UHFFFAOYSA-N 1 1 299.418 3.337 20 30 CGEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2cccc(C#N)n2)C1 ZINC000270027763 378297352 /nfs/dbraw/zinc/29/73/52/378297352.db2.gz GDNOVXGWUYAMHL-JKSUJKDBSA-N 1 1 298.434 3.044 20 30 CGEDMO CO[C@@]1(C)C[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1(C)C ZINC000345766587 378365090 /nfs/dbraw/zinc/36/50/90/378365090.db2.gz ZLIOFSPAMVXMIB-WBVHZDCISA-N 1 1 290.382 3.333 20 30 CGEDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1(C)C ZINC000345766587 378365095 /nfs/dbraw/zinc/36/50/95/378365095.db2.gz ZLIOFSPAMVXMIB-WBVHZDCISA-N 1 1 290.382 3.333 20 30 CGEDMO C#CCC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000270680652 378387429 /nfs/dbraw/zinc/38/74/29/378387429.db2.gz YRQNUEZTTRQGEI-GJZGRUSLSA-N 1 1 277.433 3.440 20 30 CGEDMO CCC[N@@H+](CC)CCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271932746 378522826 /nfs/dbraw/zinc/52/28/26/378522826.db2.gz IZFQSLSAZIPSJV-ZDUSSCGKSA-N 1 1 277.387 3.080 20 30 CGEDMO CCCN(CC)CC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271932746 378522831 /nfs/dbraw/zinc/52/28/31/378522831.db2.gz IZFQSLSAZIPSJV-ZDUSSCGKSA-N 1 1 277.387 3.080 20 30 CGEDMO CC[C@H](C)[N@@H+](C)CCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271937863 378523825 /nfs/dbraw/zinc/52/38/25/378523825.db2.gz KUHHWUGPONOMIP-QWHCGFSZSA-N 1 1 277.387 3.078 20 30 CGEDMO CC[C@H](C)N(C)CC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000271937863 378523830 /nfs/dbraw/zinc/52/38/30/378523830.db2.gz KUHHWUGPONOMIP-QWHCGFSZSA-N 1 1 277.387 3.078 20 30 CGEDMO C[C@@H](C[NH+]1CCCCC1)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271967872 378533596 /nfs/dbraw/zinc/53/35/96/378533596.db2.gz VZJFGPQZAMJJAV-KBPBESRZSA-N 1 1 289.398 3.222 20 30 CGEDMO C#CCCCC[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272717778 378693125 /nfs/dbraw/zinc/69/31/25/378693125.db2.gz DSYVXBXTPIXTBS-IEBWSBKVSA-N 1 1 284.447 3.290 20 30 CGEDMO C=CC[N@H+](CCC[C@@H]1CCO1)Cc1ccccc1F ZINC000637965578 378649120 /nfs/dbraw/zinc/64/91/20/378649120.db2.gz JWRSEUABVVDSPH-OAHLLOKOSA-N 1 1 263.356 3.383 20 30 CGEDMO C=CCOCCC[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000348031679 378760062 /nfs/dbraw/zinc/76/00/62/378760062.db2.gz KEEDYLTWHGHXEE-ROUUACIJSA-N 1 1 284.403 3.351 20 30 CGEDMO C[C@H]([NH2+][C@@H](CCO)c1ccco1)c1ccc(C#N)c(F)c1 ZINC000274510731 378844692 /nfs/dbraw/zinc/84/46/92/378844692.db2.gz WQMHOTDLVGQMPF-NHYWBVRUSA-N 1 1 288.322 3.065 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000348249523 378863896 /nfs/dbraw/zinc/86/38/96/378863896.db2.gz XIMVRZCPEFFETI-GWCFXTLKSA-N 1 1 298.308 3.340 20 30 CGEDMO C[C@@H]1c2ccsc2CC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000276740225 378989558 /nfs/dbraw/zinc/98/95/58/378989558.db2.gz IQZMPWGQTSSMSG-LLVKDONJSA-N 1 1 271.389 3.078 20 30 CGEDMO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000276740225 378989562 /nfs/dbraw/zinc/98/95/62/378989562.db2.gz IQZMPWGQTSSMSG-LLVKDONJSA-N 1 1 271.389 3.078 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]2C2CC2)cc1 ZINC000371419623 379163315 /nfs/dbraw/zinc/16/33/15/379163315.db2.gz NZQSIXMWKUHRML-DYVFJYSZSA-N 1 1 270.376 3.352 20 30 CGEDMO C=CCC[C@@H]([NH2+]C1CC(N2CCCCC2)C1)C1CC1 ZINC000373520762 379293055 /nfs/dbraw/zinc/29/30/55/379293055.db2.gz IYESCCFAEMSMHI-OFLPRAFFSA-N 1 1 262.441 3.338 20 30 CGEDMO CC[C@@H](NCC(C)(C)C[NH+](C)C)c1ccc(C#N)cc1 ZINC000278235738 379323078 /nfs/dbraw/zinc/32/30/78/379323078.db2.gz KPJQHVMVBYYNMT-MRXNPFEDSA-N 1 1 273.424 3.187 20 30 CGEDMO CC[C@@H]([NH2+]CC(C)(C)CN(C)C)c1ccc(C#N)cc1 ZINC000278235738 379323091 /nfs/dbraw/zinc/32/30/91/379323091.db2.gz KPJQHVMVBYYNMT-MRXNPFEDSA-N 1 1 273.424 3.187 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)cc1C#N ZINC000373810632 379335728 /nfs/dbraw/zinc/33/57/28/379335728.db2.gz CVVGKSIHMWVYNF-KRWDZBQOSA-N 1 1 297.377 3.243 20 30 CGEDMO N#Cc1ccc(OCC[N@H+]2CC[C@@H](c3ccco3)C2)cc1 ZINC000374002022 379359374 /nfs/dbraw/zinc/35/93/74/379359374.db2.gz JNCXPIAPUZEINC-OAHLLOKOSA-N 1 1 282.343 3.020 20 30 CGEDMO Cc1[nH+]ccn1CCCOc1cc(C)c(C#N)c(C)c1C ZINC000349831321 379409249 /nfs/dbraw/zinc/40/92/49/379409249.db2.gz KYNKIFUKOZFFSO-UHFFFAOYSA-N 1 1 283.375 3.458 20 30 CGEDMO C[C@H](CC1CCOCC1)C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000349961055 379459033 /nfs/dbraw/zinc/45/90/33/379459033.db2.gz BAZQPPDUZRRWKS-ZIAGYGMSSA-N 1 1 264.413 3.063 20 30 CGEDMO C=CC[C@@H]1[N@H+](CCc2cnccn2)CCCC1(C)C ZINC000639611905 379505520 /nfs/dbraw/zinc/50/55/20/379505520.db2.gz IFVXUIZXRQSVAD-HNNXBMFYSA-N 1 1 259.397 3.086 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000375960150 379516806 /nfs/dbraw/zinc/51/68/06/379516806.db2.gz IQQLDUVGENPOED-OAHLLOKOSA-N 1 1 292.810 3.151 20 30 CGEDMO CC[N@@H+]1[C@H](C)CN(CC#Cc2ccc(Cl)cc2)C[C@@H]1C ZINC000639742555 379564230 /nfs/dbraw/zinc/56/42/30/379564230.db2.gz OXKOOKUGRAJSMU-GASCZTMLSA-N 1 1 290.838 3.106 20 30 CGEDMO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](CCC(C)(C)C#N)C1 ZINC000376550414 379578089 /nfs/dbraw/zinc/57/80/89/379578089.db2.gz DUIJLVOAHZAFHS-ZFWWWQNUSA-N 1 1 257.381 3.404 20 30 CGEDMO C=C(C)C[N@H+](C)CCC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000351097888 379642145 /nfs/dbraw/zinc/64/21/45/379642145.db2.gz JJQMQJRQYLLTSE-UHFFFAOYSA-N 1 1 296.798 3.185 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000351098002 379642402 /nfs/dbraw/zinc/64/24/02/379642402.db2.gz JXQXWRKUFGMEED-SNVBAGLBSA-N 1 1 284.762 3.314 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000351098002 379642414 /nfs/dbraw/zinc/64/24/14/379642414.db2.gz JXQXWRKUFGMEED-SNVBAGLBSA-N 1 1 284.762 3.314 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000639864308 379614091 /nfs/dbraw/zinc/61/40/91/379614091.db2.gz YEPSAWPIPAJZDF-AHCXZYCDSA-N 1 1 298.430 3.435 20 30 CGEDMO C=CCCCCC[N@H+]1CCc2nnn(C3CC(C)C3)c2C1 ZINC000640039689 379698932 /nfs/dbraw/zinc/69/89/32/379698932.db2.gz YFAAJMZENPRJAK-UHFFFAOYSA-N 1 1 288.439 3.354 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@H](C)CCC#N)cc1OC(F)F ZINC000351610091 379728727 /nfs/dbraw/zinc/72/87/27/379728727.db2.gz UXSANXZOFRPIGO-LLVKDONJSA-N 1 1 298.333 3.421 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000351864172 379747975 /nfs/dbraw/zinc/74/79/75/379747975.db2.gz XVDCVLOIFVLNCW-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000280908935 379809831 /nfs/dbraw/zinc/80/98/31/379809831.db2.gz RVTWQLMLNYTBED-WQGACYEGSA-N 1 1 279.355 3.163 20 30 CGEDMO C=C(C)CC[N@@H+](CCc1ccccn1)Cc1cccnc1 ZINC000352409191 379801671 /nfs/dbraw/zinc/80/16/71/379801671.db2.gz YDNDRVWHTHAGHL-UHFFFAOYSA-N 1 1 281.403 3.488 20 30 CGEDMO C=C(CC)C[N@H+](C)Cc1nc(-c2cccs2)no1 ZINC000352371728 379785060 /nfs/dbraw/zinc/78/50/60/379785060.db2.gz LLNPPHGIBXXKQH-UHFFFAOYSA-N 1 1 263.366 3.196 20 30 CGEDMO C=C(CC)C[N@@H+](C)Cc1nc(-c2cccs2)no1 ZINC000352371728 379785065 /nfs/dbraw/zinc/78/50/65/379785065.db2.gz LLNPPHGIBXXKQH-UHFFFAOYSA-N 1 1 263.366 3.196 20 30 CGEDMO CC[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)CCCO1 ZINC000281367056 379832354 /nfs/dbraw/zinc/83/23/54/379832354.db2.gz LMKZKQAJMLRXCX-MRXNPFEDSA-N 1 1 277.795 3.192 20 30 CGEDMO C[C@@H](c1cccc(F)c1)[NH+]1CCC(F)(C#N)CC1 ZINC000352489762 379835784 /nfs/dbraw/zinc/83/57/84/379835784.db2.gz CMYPSXXLDKJCCI-NSHDSACASA-N 1 1 250.292 3.214 20 30 CGEDMO Cc1cc(Cl)ccc1C[NH+]1CCC(F)(C#N)CC1 ZINC000352469091 379827537 /nfs/dbraw/zinc/82/75/37/379827537.db2.gz VZRFGDOXSYLYLM-UHFFFAOYSA-N 1 1 266.747 3.476 20 30 CGEDMO CCN1CC[C@@H]([N@H+](C)CCCCC(C)(C)C#N)[C@H](C)C1 ZINC000409446498 380036148 /nfs/dbraw/zinc/03/61/48/380036148.db2.gz RUYCTULZXLOSKC-HZPDHXFCSA-N 1 1 279.472 3.369 20 30 CGEDMO CCN1CC[C@@H]([N@@H+](C)CCCCC(C)(C)C#N)[C@H](C)C1 ZINC000409446498 380036156 /nfs/dbraw/zinc/03/61/56/380036156.db2.gz RUYCTULZXLOSKC-HZPDHXFCSA-N 1 1 279.472 3.369 20 30 CGEDMO C=C(C)C[N@H+](CCCCOC)Cc1cnn(C(C)C)c1 ZINC000352903845 380028690 /nfs/dbraw/zinc/02/86/90/380028690.db2.gz SDRZGXKSGTULTC-UHFFFAOYSA-N 1 1 279.428 3.269 20 30 CGEDMO C=CCOc1ccc(C[NH2+]Cc2ccn(C(F)F)n2)cc1 ZINC000352951438 380053131 /nfs/dbraw/zinc/05/31/31/380053131.db2.gz NCPMINABXYFILQ-UHFFFAOYSA-N 1 1 293.317 3.133 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cnc(N(C)C)s1 ZINC000352975637 380063792 /nfs/dbraw/zinc/06/37/92/380063792.db2.gz FXYJFTDHWIKMGC-UHFFFAOYSA-N 1 1 291.420 3.033 20 30 CGEDMO C[C@@H](O)C[C@@H]1CCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411398087 380142288 /nfs/dbraw/zinc/14/22/88/380142288.db2.gz APFGRQCQPSGCBW-CABCVRRESA-N 1 1 264.413 3.086 20 30 CGEDMO C[C@@H](CCC#N)[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000411435567 380146322 /nfs/dbraw/zinc/14/63/22/380146322.db2.gz ZUZZZKWGFOQSPQ-AWEZNQCLSA-N 1 1 298.386 3.239 20 30 CGEDMO CCC[N@@H+](CC)C[C@H](C)NCc1ccc(C#N)c(C)c1 ZINC000353095910 380112393 /nfs/dbraw/zinc/11/23/93/380112393.db2.gz QEHLQAJTNGZXHZ-HNNXBMFYSA-N 1 1 273.424 3.077 20 30 CGEDMO CCCN(CC)C[C@H](C)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000353095910 380112400 /nfs/dbraw/zinc/11/24/00/380112400.db2.gz QEHLQAJTNGZXHZ-HNNXBMFYSA-N 1 1 273.424 3.077 20 30 CGEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CC[C@H](C#N)C1 ZINC000411191822 380134411 /nfs/dbraw/zinc/13/44/11/380134411.db2.gz KHYMBLDMEUDZFD-ZFWWWQNUSA-N 1 1 285.347 3.275 20 30 CGEDMO C=CCOc1ccc(C[NH2+][C@H](C)c2cc3n(n2)CCC3)cc1 ZINC000414139022 380192194 /nfs/dbraw/zinc/19/21/94/380192194.db2.gz HFKVKPUFZRAIKF-CQSZACIVSA-N 1 1 297.402 3.245 20 30 CGEDMO CC[C@H]1CCCC[N@@H+]1CCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353265661 380198430 /nfs/dbraw/zinc/19/84/30/380198430.db2.gz ZFJSVXBMZHKFGH-PKOBYXMFSA-N 1 1 297.446 3.400 20 30 CGEDMO CC[C@H]1CCCC[N@H+]1CCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353265661 380198436 /nfs/dbraw/zinc/19/84/36/380198436.db2.gz ZFJSVXBMZHKFGH-PKOBYXMFSA-N 1 1 297.446 3.400 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000268283803 190392613 /nfs/dbraw/zinc/39/26/13/190392613.db2.gz QATPNHRRYZNWIN-IRXDYDNUSA-N 1 1 296.370 3.239 20 30 CGEDMO C=C(C)[C@H]([NH2+]CC(=O)N(C)C(C)C)c1ccc(F)c(F)c1 ZINC000411546215 380151619 /nfs/dbraw/zinc/15/16/19/380151619.db2.gz AJCCMWSTCFZLQP-INIZCTEOSA-N 1 1 296.361 3.038 20 30 CGEDMO COC(=O)[C@@H]1C[C@@H](C)CC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411552295 380151723 /nfs/dbraw/zinc/15/17/23/380151723.db2.gz GIHPEZJKFYYAHW-GJZGRUSLSA-N 1 1 292.423 3.124 20 30 CGEDMO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411552295 380151727 /nfs/dbraw/zinc/15/17/27/380151727.db2.gz GIHPEZJKFYYAHW-GJZGRUSLSA-N 1 1 292.423 3.124 20 30 CGEDMO Cn1ccc(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)c1 ZINC000353948242 380251152 /nfs/dbraw/zinc/25/11/52/380251152.db2.gz SKTJFBISGDIUOH-MSOLQXFVSA-N 1 1 279.387 3.297 20 30 CGEDMO C[N@H+](Cc1cc(F)cc2cccnc21)CC(C)(C)C#N ZINC000354016837 380280933 /nfs/dbraw/zinc/28/09/33/380280933.db2.gz DJIXCTOHZAZYTQ-UHFFFAOYSA-N 1 1 271.339 3.355 20 30 CGEDMO C[N@@H+](Cc1cc(F)cc2cccnc21)CC(C)(C)C#N ZINC000354016837 380280937 /nfs/dbraw/zinc/28/09/37/380280937.db2.gz DJIXCTOHZAZYTQ-UHFFFAOYSA-N 1 1 271.339 3.355 20 30 CGEDMO C[N@H+](Cc1c[nH]nc1-c1cccs1)CC(C)(C)C#N ZINC000354016910 380281022 /nfs/dbraw/zinc/28/10/22/380281022.db2.gz DZTKAKHENOVGGC-UHFFFAOYSA-N 1 1 274.393 3.120 20 30 CGEDMO C[N@@H+](Cc1c[nH]nc1-c1cccs1)CC(C)(C)C#N ZINC000354016910 380281025 /nfs/dbraw/zinc/28/10/25/380281025.db2.gz DZTKAKHENOVGGC-UHFFFAOYSA-N 1 1 274.393 3.120 20 30 CGEDMO CC1(C)C[N@@H+](Cc2cnc3ccc(C#N)cn23)[C@H]2CCC[C@@H]21 ZINC000354581525 380493271 /nfs/dbraw/zinc/49/32/71/380493271.db2.gz QAHLYMVSXDKENM-HOTGVXAUSA-N 1 1 294.402 3.216 20 30 CGEDMO CC[N@H+](CCC(=O)Nc1sccc1C#N)CCC1CC1 ZINC000355052616 380569039 /nfs/dbraw/zinc/56/90/39/380569039.db2.gz HPYWMAZXTRDDJM-UHFFFAOYSA-N 1 1 291.420 3.070 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCSC[C@@H]2C2CCC2)c(F)c1 ZINC000418130835 380708770 /nfs/dbraw/zinc/70/87/70/380708770.db2.gz VSDDQSSXGJFJOD-MRXNPFEDSA-N 1 1 290.407 3.415 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCSC[C@@H]2C2CCC2)c1 ZINC000418124539 380705517 /nfs/dbraw/zinc/70/55/17/380705517.db2.gz HPFWJHUSNLEXEB-CQSZACIVSA-N 1 1 278.446 3.337 20 30 CGEDMO C[N@@H+](CCc1cccc(NC(=O)CC(C)(C)C#N)c1)C1CC1 ZINC000355626659 380730504 /nfs/dbraw/zinc/73/05/04/380730504.db2.gz BMJWWIAQWVNQHD-UHFFFAOYSA-N 1 1 299.418 3.202 20 30 CGEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)Cc1[nH]ncc1C ZINC000356330987 380798112 /nfs/dbraw/zinc/79/81/12/380798112.db2.gz DFAULBLNCMQIFT-UHFFFAOYSA-N 1 1 287.411 3.074 20 30 CGEDMO N#Cc1ccc(CNc2ccc(C3CCC3)c[nH+]2)cc1F ZINC000421382130 380927402 /nfs/dbraw/zinc/92/74/02/380927402.db2.gz LZFILAHHOKINEK-UHFFFAOYSA-N 1 1 281.334 3.394 20 30 CGEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2cccnc2C#N)C1 ZINC000357172691 381052534 /nfs/dbraw/zinc/05/25/34/381052534.db2.gz NBZPJGCMXCRRMS-GOEBONIOSA-N 1 1 292.386 3.201 20 30 CGEDMO N#Cc1cc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)ccc1F ZINC000334804503 207106571 /nfs/dbraw/zinc/10/65/71/207106571.db2.gz BZFZGNWMZNRKHP-SJLPKXTDSA-N 1 1 296.345 3.005 20 30 CGEDMO N#Cc1cc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)ccc1F ZINC000334804503 207106575 /nfs/dbraw/zinc/10/65/75/207106575.db2.gz BZFZGNWMZNRKHP-SJLPKXTDSA-N 1 1 296.345 3.005 20 30 CGEDMO CCc1cccc(OCC[N@H+](CCC#N)CC2CC2)c1 ZINC000357900131 381285240 /nfs/dbraw/zinc/28/52/40/381285240.db2.gz BYXZLTOWTIICTQ-UHFFFAOYSA-N 1 1 272.392 3.253 20 30 CGEDMO CCc1cccc(OCC[N@@H+](CCC#N)CC2CC2)c1 ZINC000357900131 381285244 /nfs/dbraw/zinc/28/52/44/381285244.db2.gz BYXZLTOWTIICTQ-UHFFFAOYSA-N 1 1 272.392 3.253 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c1F ZINC000334807799 207112621 /nfs/dbraw/zinc/11/26/21/207112621.db2.gz OCLCIWHFAVCOOA-IAGOWNOFSA-N 1 1 296.345 3.005 20 30 CGEDMO N#Cc1cccc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c1F ZINC000334807799 207112623 /nfs/dbraw/zinc/11/26/23/207112623.db2.gz OCLCIWHFAVCOOA-IAGOWNOFSA-N 1 1 296.345 3.005 20 30 CGEDMO C=CC[N@H+](CCC1CC1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000360074278 381436107 /nfs/dbraw/zinc/43/61/07/381436107.db2.gz YTCMDXMBULLBIS-AWEZNQCLSA-N 1 1 297.406 3.011 20 30 CGEDMO CC[C@@H]1[C@H](C)CC[N@H+]1CCOc1ccccc1C#N ZINC000360478198 381556574 /nfs/dbraw/zinc/55/65/74/381556574.db2.gz OAMWITBMBPZWTA-UKRRQHHQSA-N 1 1 258.365 3.057 20 30 CGEDMO C[C@H]1CCCC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000360605995 381592049 /nfs/dbraw/zinc/59/20/49/381592049.db2.gz YHNHFUVUKYKZRK-AWEZNQCLSA-N 1 1 267.376 3.433 20 30 CGEDMO CC[C@H](C)C[N@@H+](CC)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000361336088 381703600 /nfs/dbraw/zinc/70/36/00/381703600.db2.gz MDCATBUIEXROFJ-ZDUSSCGKSA-N 1 1 298.390 3.476 20 30 CGEDMO Cc1cc(C2CC[NH+](Cc3cccc(F)c3C#N)CC2)n[nH]1 ZINC000334900722 207264299 /nfs/dbraw/zinc/26/42/99/207264299.db2.gz WYQBLIZTGZRRGG-UHFFFAOYSA-N 1 1 298.365 3.109 20 30 CGEDMO CC[C@@H](C)[C@@H]1CCCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000361550652 381796510 /nfs/dbraw/zinc/79/65/10/381796510.db2.gz GGDKIUDWFMOEDF-CJNGLKHVSA-N 1 1 259.397 3.297 20 30 CGEDMO CC[N@H+](Cc1cn2ccccc2c1C#N)CC1CCC1 ZINC000361484776 381768474 /nfs/dbraw/zinc/76/84/74/381768474.db2.gz KPPURSSEIDMECK-UHFFFAOYSA-N 1 1 267.376 3.433 20 30 CGEDMO COCC[N@@H+](Cc1cc(C#N)cs1)[C@@H]1CC[C@@H](C)C1 ZINC000361626150 381844757 /nfs/dbraw/zinc/84/47/57/381844757.db2.gz BMNNVZGLHFBDDV-TZMCWYRMSA-N 1 1 278.421 3.257 20 30 CGEDMO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)on1 ZINC000334921114 207294842 /nfs/dbraw/zinc/29/48/42/207294842.db2.gz RCYPSDWWSJTGMN-ZDUSSCGKSA-N 1 1 273.361 3.253 20 30 CGEDMO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)s2)on1 ZINC000334921114 207294844 /nfs/dbraw/zinc/29/48/44/207294844.db2.gz RCYPSDWWSJTGMN-ZDUSSCGKSA-N 1 1 273.361 3.253 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@@H]1c1ccccc1 ZINC000362179792 381901195 /nfs/dbraw/zinc/90/11/95/381901195.db2.gz GYUACFYUCPZRRZ-NVXWUHKLSA-N 1 1 284.403 3.023 20 30 CGEDMO CC#CCCCC(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000362302578 381936469 /nfs/dbraw/zinc/93/64/69/381936469.db2.gz ZPUCFPQTCYSVJQ-BBWFWOEESA-N 1 1 290.451 3.044 20 30 CGEDMO Cc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)ccc1C#N ZINC000362961369 382165826 /nfs/dbraw/zinc/16/58/26/382165826.db2.gz WKVGRQBUYDVOLR-UHFFFAOYSA-N 1 1 275.355 3.370 20 30 CGEDMO N#CCC[NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000574870730 335053680 /nfs/dbraw/zinc/05/36/80/335053680.db2.gz PFGWMZXQGLVQCL-LLVKDONJSA-N 1 1 284.190 3.075 20 30 CGEDMO C[C@@H]1C[C@H]([N@@H+](C)CCCCC(C)(C)C#N)CCN1C ZINC000336806216 262395384 /nfs/dbraw/zinc/39/53/84/262395384.db2.gz LGKYUELFGUKIFX-HUUCEWRRSA-N 1 1 265.445 3.121 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H](C)CC1 ZINC000179657155 260061993 /nfs/dbraw/zinc/06/19/93/260061993.db2.gz RYJSCWDBCMCQII-ZDUSSCGKSA-N 1 1 258.365 3.189 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cccc(O)c1 ZINC000178788997 533443798 /nfs/dbraw/zinc/44/37/98/533443798.db2.gz VRFSQQIWNPSZHJ-LLVKDONJSA-N 1 1 270.307 3.254 20 30 CGEDMO C[C@@H](NC[C@@H]1[NH2+]CCc2ccccc21)c1cccc(C#N)c1 ZINC000423415060 533423924 /nfs/dbraw/zinc/42/39/24/533423924.db2.gz DHAVVTHNKJUHPR-KUHUBIRLSA-N 1 1 291.398 3.096 20 30 CGEDMO C=CCC[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000189960112 130045400 /nfs/dbraw/zinc/04/54/00/130045400.db2.gz IJXOFUGBPIQVDD-HOTGVXAUSA-N 1 1 272.436 3.309 20 30 CGEDMO CC[N@@H+](Cc1cc(C#N)n(C)c1)[C@H](C)c1cccc(OC)c1 ZINC000191240604 130208784 /nfs/dbraw/zinc/20/87/84/130208784.db2.gz LZGKUBHGOMMYBM-CQSZACIVSA-N 1 1 297.402 3.488 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCS[C@@H](C)CC1 ZINC000192178095 130389236 /nfs/dbraw/zinc/38/92/36/130389236.db2.gz WAERLXNZCXFCJG-STQMWFEESA-N 1 1 260.406 3.447 20 30 CGEDMO Cc1nc([C@@H](C)[NH2+]Cc2cccc(C#N)c2)cs1 ZINC000037748868 391981853 /nfs/dbraw/zinc/98/18/53/391981853.db2.gz WMDYZCDZULSAFJ-SNVBAGLBSA-N 1 1 257.362 3.174 20 30 CGEDMO Cc1cc(C)c(C#N)c(NC[C@H](C)[N@H+]2CCC[C@H](C)C2)n1 ZINC000071954258 392194562 /nfs/dbraw/zinc/19/45/62/392194562.db2.gz SODNIZFTNKIYFR-WFASDCNBSA-N 1 1 286.423 3.102 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000282231050 392285925 /nfs/dbraw/zinc/28/59/25/392285925.db2.gz ZJITYZKROPORKE-HNNXBMFYSA-N 1 1 273.424 3.365 20 30 CGEDMO CO[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000282225939 392286286 /nfs/dbraw/zinc/28/62/86/392286286.db2.gz FGPJDRVAWXCLHE-XJKSGUPXSA-N 1 1 277.795 3.191 20 30 CGEDMO C=CC[NH+]1CCC(N[C@H](C)c2cc(C)c(C)o2)CC1 ZINC000282439455 392290719 /nfs/dbraw/zinc/29/07/19/392290719.db2.gz ZIWBONOSLMJUTH-CYBMUJFWSA-N 1 1 262.397 3.197 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)CC1CC(OCC)C1 ZINC000285667420 392328470 /nfs/dbraw/zinc/32/84/70/392328470.db2.gz PNFICOFDQXKKPM-UHFFFAOYSA-N 1 1 263.381 3.125 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000285731741 392329639 /nfs/dbraw/zinc/32/96/39/392329639.db2.gz VHNWEWSFMRJRJR-CQSZACIVSA-N 1 1 292.386 3.142 20 30 CGEDMO C=C(C)CC[N@H+](C)Cc1nc(-c2cccs2)no1 ZINC000285361432 392323201 /nfs/dbraw/zinc/32/32/01/392323201.db2.gz QIUHZDZVSPQEQR-UHFFFAOYSA-N 1 1 263.366 3.196 20 30 CGEDMO C=CCC[C@@H]([NH2+]C1CCN(CC)CC1)c1ccco1 ZINC000285528603 392325253 /nfs/dbraw/zinc/32/52/53/392325253.db2.gz FJIXEOOFHKAJQD-OAHLLOKOSA-N 1 1 262.397 3.361 20 30 CGEDMO CC(C)[C@H]1CCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000109462010 392358131 /nfs/dbraw/zinc/35/81/31/392358131.db2.gz YZDLLAYIPKAOPM-MRXNPFEDSA-N 1 1 258.365 3.057 20 30 CGEDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000109781031 392372891 /nfs/dbraw/zinc/37/28/91/392372891.db2.gz LBERPYFCVXSSIH-AWEZNQCLSA-N 1 1 296.370 3.336 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)CCOc1cccc(C#N)c1 ZINC000109811804 392375529 /nfs/dbraw/zinc/37/55/29/392375529.db2.gz ANJUZAINXGYCKQ-UHFFFAOYSA-N 1 1 285.391 3.199 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)CCOc1cccc(C#N)c1 ZINC000109811804 392375536 /nfs/dbraw/zinc/37/55/36/392375536.db2.gz ANJUZAINXGYCKQ-UHFFFAOYSA-N 1 1 285.391 3.199 20 30 CGEDMO C=CCC[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000286234414 392378974 /nfs/dbraw/zinc/37/89/74/392378974.db2.gz ZHXFYUPZPLEWDR-BRWVUGGUSA-N 1 1 257.377 3.067 20 30 CGEDMO C=CCCC(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000263823181 131340084 /nfs/dbraw/zinc/34/00/84/131340084.db2.gz QYGFHTWLDWRNFO-UHFFFAOYSA-N 1 1 298.430 3.002 20 30 CGEDMO C[C@@H]1SCC[N@H+](Cc2ccc(C#N)cc2F)[C@H]1C ZINC000118416506 392392739 /nfs/dbraw/zinc/39/27/39/392392739.db2.gz GXOYMYDULONSIA-QWRGUYRKSA-N 1 1 264.369 3.023 20 30 CGEDMO C[C@@H]1SCC[N@@H+](Cc2ccc(C#N)cc2F)[C@H]1C ZINC000118416506 392392743 /nfs/dbraw/zinc/39/27/43/392392743.db2.gz GXOYMYDULONSIA-QWRGUYRKSA-N 1 1 264.369 3.023 20 30 CGEDMO Cc1cccnc1[C@@H]([NH2+]C[C@@H](C#N)CCC#N)C(C)C ZINC000121938471 392417705 /nfs/dbraw/zinc/41/77/05/392417705.db2.gz CUSQOJZRIQEECN-CABCVRRESA-N 1 1 270.380 3.120 20 30 CGEDMO C=CCCCCC[N@@H+](C)Cc1ncc(C2OCCO2)s1 ZINC000290087561 392439437 /nfs/dbraw/zinc/43/94/37/392439437.db2.gz RALVSWVKWXTQEJ-UHFFFAOYSA-N 1 1 296.436 3.367 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1ncc(C2OCCO2)s1 ZINC000290087561 392439439 /nfs/dbraw/zinc/43/94/39/392439439.db2.gz RALVSWVKWXTQEJ-UHFFFAOYSA-N 1 1 296.436 3.367 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1cnc([C@@H](C)O)s1 ZINC000290549263 392450948 /nfs/dbraw/zinc/45/09/48/392450948.db2.gz ZAGOFTWOBVMFHC-GFCCVEGCSA-N 1 1 292.404 3.020 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cnc([C@@H](C)O)s1 ZINC000290549263 392450952 /nfs/dbraw/zinc/45/09/52/392450952.db2.gz ZAGOFTWOBVMFHC-GFCCVEGCSA-N 1 1 292.404 3.020 20 30 CGEDMO COc1ccccc1C[N@H+](C)Cc1cc(C#N)ccc1OC ZINC000153629910 392523419 /nfs/dbraw/zinc/52/34/19/392523419.db2.gz YQADZHWGWRFUKQ-UHFFFAOYSA-N 1 1 296.370 3.207 20 30 CGEDMO COc1ccccc1C[N@@H+](C)Cc1cc(C#N)ccc1OC ZINC000153629910 392523426 /nfs/dbraw/zinc/52/34/26/392523426.db2.gz YQADZHWGWRFUKQ-UHFFFAOYSA-N 1 1 296.370 3.207 20 30 CGEDMO CCCCCCCC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367339535 392474672 /nfs/dbraw/zinc/47/46/72/392474672.db2.gz MZSXZQSUYSAYAJ-XYPWUTKMSA-N 1 1 280.456 3.431 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000372373719 392605435 /nfs/dbraw/zinc/60/54/35/392605435.db2.gz DNWYRBYVGJYSHV-AWEZNQCLSA-N 1 1 299.349 3.078 20 30 CGEDMO CC(C)C[C@H]1CC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000307773314 392655045 /nfs/dbraw/zinc/65/50/45/392655045.db2.gz JNYAJPRZWPNJQG-MRXNPFEDSA-N 1 1 272.392 3.305 20 30 CGEDMO C=CCOc1ccccc1C[NH2+][C@H](c1nccn1C)C1CC1 ZINC000183276158 392753208 /nfs/dbraw/zinc/75/32/08/392753208.db2.gz VGUKVAQAQMJNOV-KRWDZBQOSA-N 1 1 297.402 3.226 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000188302064 392799553 /nfs/dbraw/zinc/79/95/53/392799553.db2.gz XXHXXPYINZTZMM-UHFFFAOYSA-N 1 1 273.355 3.078 20 30 CGEDMO Cc1ccoc1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000336383916 392852089 /nfs/dbraw/zinc/85/20/89/392852089.db2.gz VGHNWGJGDBBMAK-UHFFFAOYSA-N 1 1 281.359 3.040 20 30 CGEDMO C=C(C)C[N@@H+](CC)C[C@H](O)COc1ccc2ccccc2c1 ZINC000514317436 392855635 /nfs/dbraw/zinc/85/56/35/392855635.db2.gz NRDTWISNVBOXNZ-SFHVURJKSA-N 1 1 299.414 3.478 20 30 CGEDMO CCCC[N@@H+](C)C[C@H](C)Nc1ccc2cc(C#N)ccc2n1 ZINC000514812648 392858497 /nfs/dbraw/zinc/85/84/97/392858497.db2.gz NKCHPMOGSHACJJ-AWEZNQCLSA-N 1 1 296.418 3.061 20 30 CGEDMO C=CCOCC[N@@H+]1[C@H](C)c2ccc(OC)cc2C[C@@H]1C ZINC000339080758 392945003 /nfs/dbraw/zinc/94/50/03/392945003.db2.gz NDXAXAJELONSNL-UONOGXRCSA-N 1 1 275.392 3.205 20 30 CGEDMO COc1ccc(C[N@H+]2C[C@H](C)[C@H](C)[C@H]2C)cc1C#N ZINC000399514002 392945189 /nfs/dbraw/zinc/94/51/89/392945189.db2.gz ADKVZNSNIBAFCV-RWMBFGLXSA-N 1 1 258.365 3.043 20 30 CGEDMO CC(C)C[C@@H]1CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459362947 392942142 /nfs/dbraw/zinc/94/21/42/392942142.db2.gz QTLNFRNKPCVCCT-ZDUSSCGKSA-N 1 1 287.363 3.334 20 30 CGEDMO C[C@@H](C1CCC1)[N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459374972 392942474 /nfs/dbraw/zinc/94/24/74/392942474.db2.gz PKQBABVGKRCLIM-NSHDSACASA-N 1 1 273.336 3.087 20 30 CGEDMO C[C@@H](C1CCC1)[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459374972 392942478 /nfs/dbraw/zinc/94/24/78/392942478.db2.gz PKQBABVGKRCLIM-NSHDSACASA-N 1 1 273.336 3.087 20 30 CGEDMO C=CCOCC[N@H+](C)Cc1cccc(OC(C)C)c1 ZINC000339052544 392942870 /nfs/dbraw/zinc/94/28/70/392942870.db2.gz AZBNRGUXASMYSX-UHFFFAOYSA-N 1 1 263.381 3.108 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000411674834 392984457 /nfs/dbraw/zinc/98/44/57/392984457.db2.gz MVUDWIJSABWNPR-GRDNDAEWSA-N 1 1 292.423 3.122 20 30 CGEDMO C[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)C[C@H](C2CC2)O1 ZINC000411656873 392984976 /nfs/dbraw/zinc/98/49/76/392984976.db2.gz DICLVGUSXYKTDH-GDBMZVCRSA-N 1 1 276.424 3.350 20 30 CGEDMO CC[C@@H]1C[N@H+](CCC2(C#N)CCCCC2)C[C@@H](C)[S@]1=O ZINC000411720068 392986670 /nfs/dbraw/zinc/98/66/70/392986670.db2.gz OZSJTMYWTDNYCF-STXHMFSFSA-N 1 1 296.480 3.082 20 30 CGEDMO CC[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)C[C@@H](C)[S@]1=O ZINC000411720068 392986674 /nfs/dbraw/zinc/98/66/74/392986674.db2.gz OZSJTMYWTDNYCF-STXHMFSFSA-N 1 1 296.480 3.082 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000411976617 392993040 /nfs/dbraw/zinc/99/30/40/392993040.db2.gz DPIBNZXPACYLHH-KRWDZBQOSA-N 1 1 271.360 3.063 20 30 CGEDMO C=CCc1cc(C[N@H+]2CC[C@H]2C(C)C)cc(OC)c1O ZINC000342847145 393011504 /nfs/dbraw/zinc/01/15/04/393011504.db2.gz AZWAPOJERUAOIG-HNNXBMFYSA-N 1 1 275.392 3.360 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](C)C(C)(C)C1 ZINC000546125368 393034195 /nfs/dbraw/zinc/03/41/95/393034195.db2.gz HFHQSDXSWYXELZ-ZDUSSCGKSA-N 1 1 272.392 3.435 20 30 CGEDMO N#CC1(C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)CC1 ZINC000343308452 393024882 /nfs/dbraw/zinc/02/48/82/393024882.db2.gz KHDUDUQESFFVCL-UHFFFAOYSA-N 1 1 290.794 3.239 20 30 CGEDMO C[C@@H]1C[C@@H](N(C)CC2(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000343314848 393024991 /nfs/dbraw/zinc/02/49/91/393024991.db2.gz OOBNGVGYBVCLBL-AEFFLSMTSA-N 1 1 297.446 3.275 20 30 CGEDMO C=CC[N@H+](CCC(C)(C)OC)Cc1cccc([N+](=O)[O-])c1 ZINC000346296568 393081772 /nfs/dbraw/zinc/08/17/72/393081772.db2.gz NAHNGQSSCIXSAG-UHFFFAOYSA-N 1 1 292.379 3.398 20 30 CGEDMO C[N@H+]1CCN(Cc2ccccc2C(C)(C)C#N)C(C)(C)C1 ZINC000347567480 393107481 /nfs/dbraw/zinc/10/74/81/393107481.db2.gz NINIRJIOIPHNQK-UHFFFAOYSA-N 1 1 285.435 3.014 20 30 CGEDMO CN1CC[N@H+](Cc2ccccc2C(C)(C)C#N)C(C)(C)C1 ZINC000347567480 393107488 /nfs/dbraw/zinc/10/74/88/393107488.db2.gz NINIRJIOIPHNQK-UHFFFAOYSA-N 1 1 285.435 3.014 20 30 CGEDMO CN1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C(C)(C)C1 ZINC000347567480 393107495 /nfs/dbraw/zinc/10/74/95/393107495.db2.gz NINIRJIOIPHNQK-UHFFFAOYSA-N 1 1 285.435 3.014 20 30 CGEDMO C=CCOCCNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000648510004 393071266 /nfs/dbraw/zinc/07/12/66/393071266.db2.gz PFOBAAXTVMSOAY-UHFFFAOYSA-N 1 1 296.499 3.458 20 30 CGEDMO CC1(C)Cc2cc(C[NH+]3CCC(F)(C#N)CC3)ccc2O1 ZINC000348699011 393127298 /nfs/dbraw/zinc/12/72/98/393127298.db2.gz ABHSJOBADJWBTN-UHFFFAOYSA-N 1 1 288.366 3.228 20 30 CGEDMO C=CCOc1ccccc1C[NH+]1CCC(F)(C#N)CC1 ZINC000348715194 393129319 /nfs/dbraw/zinc/12/93/19/393129319.db2.gz PDGULHCCOZJQRX-UHFFFAOYSA-N 1 1 274.339 3.079 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](COC(F)F)C2)cc1 ZINC000348882606 393134531 /nfs/dbraw/zinc/13/45/31/393134531.db2.gz YZNSAMKWILLCSM-AWEZNQCLSA-N 1 1 297.345 3.313 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCC[C@H]2C2CCOCC2)cc1 ZINC000348951995 393136554 /nfs/dbraw/zinc/13/65/54/393136554.db2.gz UNADNKCFDZVWIJ-SFHVURJKSA-N 1 1 287.378 3.068 20 30 CGEDMO CC(C)n1ccnc1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000271701932 393253348 /nfs/dbraw/zinc/25/33/48/393253348.db2.gz UDYKLUBTIBJFKU-ZDUSSCGKSA-N 1 1 268.364 3.186 20 30 CGEDMO CCc1nnc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)o1 ZINC000355391150 393301763 /nfs/dbraw/zinc/30/17/63/393301763.db2.gz IQWZOLRLGNHRMN-UHFFFAOYSA-N 1 1 298.390 3.162 20 30 CGEDMO CCc1nnc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)o1 ZINC000355391150 393301772 /nfs/dbraw/zinc/30/17/72/393301772.db2.gz IQWZOLRLGNHRMN-UHFFFAOYSA-N 1 1 298.390 3.162 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+](CC)CCc1cccs1 ZINC000355394338 393302674 /nfs/dbraw/zinc/30/26/74/393302674.db2.gz RBSWREOMOVZYHB-UHFFFAOYSA-N 1 1 294.464 3.037 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@H](O)CC(F)(F)F ZINC000279261019 393333014 /nfs/dbraw/zinc/33/30/14/393333014.db2.gz ICZXMPLSTATGAR-CQSZACIVSA-N 1 1 287.325 3.378 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000649323470 393401280 /nfs/dbraw/zinc/40/12/80/393401280.db2.gz QMJCULFMHSZVFQ-PVAVHDDUSA-N 1 1 259.393 3.049 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCc2cccc(C)c2C1 ZINC000429558699 393479797 /nfs/dbraw/zinc/47/97/97/393479797.db2.gz JXDAUKOKZSSCQR-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1cc2n(n1)CCC2 ZINC000649498765 393456834 /nfs/dbraw/zinc/45/68/34/393456834.db2.gz XIPDDHXIFYHFMY-UHFFFAOYSA-N 1 1 281.403 3.060 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)Cc1cc2n(n1)CCC2 ZINC000649498765 393456840 /nfs/dbraw/zinc/45/68/40/393456840.db2.gz XIPDDHXIFYHFMY-UHFFFAOYSA-N 1 1 281.403 3.060 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccc(C(=O)OC)[nH]1 ZINC000359236544 393540403 /nfs/dbraw/zinc/54/04/03/393540403.db2.gz OZFJPTWAQZSDSO-UHFFFAOYSA-N 1 1 298.386 3.032 20 30 CGEDMO C[C@@H]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2C#N)C1 ZINC000429568679 393484576 /nfs/dbraw/zinc/48/45/76/393484576.db2.gz OVEXUNDZUHXOER-UKRRQHHQSA-N 1 1 285.391 3.007 20 30 CGEDMO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)c(C)c2)CCS1 ZINC000488416261 393505129 /nfs/dbraw/zinc/50/51/29/393505129.db2.gz HXTMIJDHWPGMMC-OAHLLOKOSA-N 1 1 260.406 3.194 20 30 CGEDMO CC[C@H]1COC(C)(C)C[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000649716801 393554054 /nfs/dbraw/zinc/55/40/54/393554054.db2.gz OFWUXCQGCFYODC-INIZCTEOSA-N 1 1 275.367 3.067 20 30 CGEDMO CC[C@H]1COC(C)(C)C[N@H+]1CC#Cc1ccc(F)cc1 ZINC000649716801 393554060 /nfs/dbraw/zinc/55/40/60/393554060.db2.gz OFWUXCQGCFYODC-INIZCTEOSA-N 1 1 275.367 3.067 20 30 CGEDMO Cn1cc(C[N@@H+](C)[C@@H]2CC2(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000489490257 393600833 /nfs/dbraw/zinc/60/08/33/393600833.db2.gz CDHRLDVXERYFTC-MRXNPFEDSA-N 1 1 294.402 3.189 20 30 CGEDMO COCCCCc1ccc[nH+]c1N[C@H]1CC[C@H](C#N)C1 ZINC000361019115 393643856 /nfs/dbraw/zinc/64/38/56/393643856.db2.gz WZSVNTRYVTZHJG-ZFWWWQNUSA-N 1 1 273.380 3.155 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)CC12CCC2 ZINC000361106779 393673471 /nfs/dbraw/zinc/67/34/71/393673471.db2.gz OUUVWTHKCGEGJX-AWEZNQCLSA-N 1 1 294.402 3.218 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCCSCC#N ZINC000425540504 393697871 /nfs/dbraw/zinc/69/78/71/393697871.db2.gz VOGGYPFJGJLACE-ZDUSSCGKSA-N 1 1 273.405 3.198 20 30 CGEDMO C=CCOCCC[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425535269 393697936 /nfs/dbraw/zinc/69/79/36/393697936.db2.gz NDNOASQROZOTEX-CQSZACIVSA-N 1 1 258.365 3.144 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@](C)(c2ccc(C)cc2)C1 ZINC000434756242 393713170 /nfs/dbraw/zinc/71/31/70/393713170.db2.gz YRVZQDMIYFCEMA-ROUUACIJSA-N 1 1 273.420 3.286 20 30 CGEDMO Cc1cc(C[NH2+]Cc2cn3c(cccc3C)n2)ccc1C#N ZINC000443986705 393779573 /nfs/dbraw/zinc/77/95/73/393779573.db2.gz LQHAPODLRCASTG-UHFFFAOYSA-N 1 1 290.370 3.113 20 30 CGEDMO Cc1cc(C[NH2+][C@@H](CCN(C)C)C(C)(C)C)ccc1C#N ZINC000443997486 393781179 /nfs/dbraw/zinc/78/11/79/393781179.db2.gz RFRLTRCOJKEQSE-KRWDZBQOSA-N 1 1 287.451 3.323 20 30 CGEDMO Cc1cc(C[N@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)ccc1C#N ZINC000449539582 393889343 /nfs/dbraw/zinc/88/93/43/393889343.db2.gz LWBDJDQGLPSOBD-ROUUACIJSA-N 1 1 266.388 3.487 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2cc(C#N)n(C)c2)CCCC1(C)C ZINC000446829509 393863370 /nfs/dbraw/zinc/86/33/70/393863370.db2.gz IPWXCCZMJQMGBV-MRXNPFEDSA-N 1 1 271.408 3.463 20 30 CGEDMO CO[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)C[C@@H]1C ZINC000451571263 394046412 /nfs/dbraw/zinc/04/64/12/394046412.db2.gz PYGWJNUYCKAHKE-UONOGXRCSA-N 1 1 252.402 3.063 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cncc(Br)c1C ZINC000667472273 542873360 /nfs/dbraw/zinc/87/33/60/542873360.db2.gz ATTKNWHDQCDYHH-UHFFFAOYSA-N 1 1 281.197 3.327 20 30 CGEDMO C=CC[C@@H]1[N@H+](Cc2cnn3c2CCC3)CCCC1(C)C ZINC000668070636 542965450 /nfs/dbraw/zinc/96/54/50/542965450.db2.gz VSLWYEBYLLZWMD-INIZCTEOSA-N 1 1 273.424 3.396 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2c(C3CC3)cnn2C)C1 ZINC000668493681 543020728 /nfs/dbraw/zinc/02/07/28/543020728.db2.gz QKBPRGXOZHSLRZ-CYBMUJFWSA-N 1 1 259.397 3.086 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000668515078 543022567 /nfs/dbraw/zinc/02/25/67/543022567.db2.gz DYNGXUDHWGBTCU-HDICACEKSA-N 1 1 287.403 3.110 20 30 CGEDMO COCC#CC[N@H+]1C[C@H](C)CC[C@H]1c1ccccc1OC ZINC000671705886 543178851 /nfs/dbraw/zinc/17/88/51/543178851.db2.gz YGVRODLJNJUDHP-WBVHZDCISA-N 1 1 287.403 3.118 20 30 CGEDMO C=CCCCC[N@@H+]1CCN(C)C[C@H]1Cc1ccccc1 ZINC000649827422 397730922 /nfs/dbraw/zinc/73/09/22/397730922.db2.gz OBNDQZBJXDRJEO-GOSISDBHSA-N 1 1 272.436 3.201 20 30 CGEDMO C=CCCC[N@H+](CC)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000735490654 572725975 /nfs/dbraw/zinc/72/59/75/572725975.db2.gz MZZQJHSPZNPJGP-AWEZNQCLSA-N 1 1 295.448 3.439 20 30 CGEDMO C=CC[N@H+](C(C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000676705084 543410964 /nfs/dbraw/zinc/41/09/64/543410964.db2.gz QKGUUQQRJPCEAX-QGZVFWFLSA-N 1 1 258.409 3.157 20 30 CGEDMO C=CCN(C(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000676705084 543410966 /nfs/dbraw/zinc/41/09/66/543410966.db2.gz QKGUUQQRJPCEAX-QGZVFWFLSA-N 1 1 258.409 3.157 20 30 CGEDMO C=CCN(C(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000676705084 543410967 /nfs/dbraw/zinc/41/09/67/543410967.db2.gz QKGUUQQRJPCEAX-QGZVFWFLSA-N 1 1 258.409 3.157 20 30 CGEDMO C=C(C)[C@@H](CO)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000677047443 543427732 /nfs/dbraw/zinc/42/77/32/543427732.db2.gz AXWNLSOEIGHLMK-CYBMUJFWSA-N 1 1 274.191 3.362 20 30 CGEDMO FC(F)[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000677736173 543462065 /nfs/dbraw/zinc/46/20/65/543462065.db2.gz YNTNMPAAAJYSLP-GFCCVEGCSA-N 1 1 269.722 3.279 20 30 CGEDMO CCC#C[C@@H](C)[N@@H+](CC)Cc1ccc2c(c1)OCO2 ZINC000677951941 543474580 /nfs/dbraw/zinc/47/45/80/543474580.db2.gz ZFYGFZTWWAKSQX-CYBMUJFWSA-N 1 1 259.349 3.039 20 30 CGEDMO CC[N@@H+](CCCOc1cccc(C#N)c1)CC1CC1 ZINC000069238182 165049180 /nfs/dbraw/zinc/04/91/80/165049180.db2.gz PFGJBXUSWWWHQX-UHFFFAOYSA-N 1 1 258.365 3.059 20 30 CGEDMO COc1cc(C#N)ccc1OCC[N@H+]1C[C@H](C)CC[C@@H]1C ZINC000076149690 165111036 /nfs/dbraw/zinc/11/10/36/165111036.db2.gz CFHJZSYZWCXLOD-KGLIPLIRSA-N 1 1 288.391 3.066 20 30 CGEDMO COc1ccc(C[N@@H+](CC(C)C)C2CC2)cc1C#N ZINC000087833296 165190690 /nfs/dbraw/zinc/19/06/90/165190690.db2.gz AWKJRAPQDRXHCX-UHFFFAOYSA-N 1 1 258.365 3.187 20 30 CGEDMO N#Cc1ccccc1OCC[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000087770975 165191634 /nfs/dbraw/zinc/19/16/34/165191634.db2.gz SLRQVGUSNQSADC-HOCLYGCPSA-N 1 1 270.376 3.202 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2C)cc1C#N ZINC000087833361 165191651 /nfs/dbraw/zinc/19/16/51/165191651.db2.gz RUXDSQRWWLUTFH-CHWSQXEVSA-N 1 1 258.365 3.187 20 30 CGEDMO C[C@@H]1C[C@@H](Nc2cc(C#N)c3ccccc3n2)CC[N@H+]1C ZINC000090795400 165243178 /nfs/dbraw/zinc/24/31/78/165243178.db2.gz CFDIMVCUVOGHPL-OCCSQVGLSA-N 1 1 280.375 3.001 20 30 CGEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)o2)C1 ZINC000093868679 165338149 /nfs/dbraw/zinc/33/81/49/165338149.db2.gz VTBQWUUKUZJMHT-SMDDNHRTSA-N 1 1 264.394 3.257 20 30 CGEDMO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2cc(C#N)cs2)C1(C)C ZINC000093871905 165340753 /nfs/dbraw/zinc/34/07/53/165340753.db2.gz RVQHWJHXHUITGZ-ZFWWWQNUSA-N 1 1 278.421 3.255 20 30 CGEDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2sccc2C#N)[C@H](C)C1 ZINC000119112868 287165300 /nfs/dbraw/zinc/16/53/00/287165300.db2.gz RTNQOJZJVMSXJL-VXGBXAGGSA-N 1 1 291.420 3.069 20 30 CGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1ccccc1 ZINC000007380750 170280948 /nfs/dbraw/zinc/28/09/48/170280948.db2.gz WVEMFMDEQGMILU-CQSZACIVSA-N 1 1 293.370 3.017 20 30 CGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1ccccc1 ZINC000007380750 170280950 /nfs/dbraw/zinc/28/09/50/170280950.db2.gz WVEMFMDEQGMILU-CQSZACIVSA-N 1 1 293.370 3.017 20 30 CGEDMO CCCN1CCC([NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000020189667 171055374 /nfs/dbraw/zinc/05/53/74/171055374.db2.gz VBUINIVXFQXRJR-CQSZACIVSA-N 1 1 271.408 3.083 20 30 CGEDMO N#Cc1ccc(OC2CC[NH+](C/C=C/Cl)CC2)c(F)c1 ZINC000285462067 196292510 /nfs/dbraw/zinc/29/25/10/196292510.db2.gz JTEVLJYDRLQMBF-LZCJLJQNSA-N 1 1 294.757 3.293 20 30 CGEDMO CN(CCC[N@@H+](C)Cc1ccc(C#N)cc1)Cc1ccco1 ZINC000285484108 196300234 /nfs/dbraw/zinc/30/02/34/196300234.db2.gz BRPGLTHFDCHVAI-UHFFFAOYSA-N 1 1 297.402 3.105 20 30 CGEDMO CSCC[C@@H](C)[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000127408696 287287127 /nfs/dbraw/zinc/28/71/27/287287127.db2.gz VMBMTWURMHJACZ-CQSZACIVSA-N 1 1 292.448 3.401 20 30 CGEDMO C=CCOCCNc1cc(C)c2ccc(C)cc2[nH+]1 ZINC000680858571 543739901 /nfs/dbraw/zinc/73/99/01/543739901.db2.gz ZMEJSYGCPDHVRB-UHFFFAOYSA-N 1 1 256.349 3.466 20 30 CGEDMO COCC#CC[N@@H+](CC(C)C)[C@H]1CCCc2cccnc21 ZINC000681471392 543789504 /nfs/dbraw/zinc/78/95/04/543789504.db2.gz YJJIUQBLBKFXHV-KRWDZBQOSA-N 1 1 286.419 3.067 20 30 CGEDMO CC(C)C[N@@H+]1CCCC[C@H]1CNCc1cc(C#N)cs1 ZINC000130881341 287365768 /nfs/dbraw/zinc/36/57/68/287365768.db2.gz BDIRZNZLCCDMBU-HNNXBMFYSA-N 1 1 291.464 3.220 20 30 CGEDMO CC(C)C[N@H+]1CCCC[C@H]1CNCc1cc(C#N)cs1 ZINC000130881341 287365771 /nfs/dbraw/zinc/36/57/71/287365771.db2.gz BDIRZNZLCCDMBU-HNNXBMFYSA-N 1 1 291.464 3.220 20 30 CGEDMO CC[N@@H+](CC#Cc1ccccc1)CCC(F)(F)F ZINC000683006406 543888120 /nfs/dbraw/zinc/88/81/20/543888120.db2.gz LTMARFSIGBYMCP-UHFFFAOYSA-N 1 1 255.283 3.312 20 30 CGEDMO CC[N@H+](CC#Cc1ccccc1)CCC(F)(F)F ZINC000683006406 543888123 /nfs/dbraw/zinc/88/81/23/543888123.db2.gz LTMARFSIGBYMCP-UHFFFAOYSA-N 1 1 255.283 3.312 20 30 CGEDMO Cc1ccc(OC2CC[NH+](CC3(C#N)CC3)CC2)cc1 ZINC000347425562 226154308 /nfs/dbraw/zinc/15/43/08/226154308.db2.gz KZBCIAPANRSXCT-UHFFFAOYSA-N 1 1 270.376 3.142 20 30 CGEDMO C[C@@H]1C[C@@H](C[N@@H+](CCC#N)CC(C)(C)C)CCO1 ZINC000352690401 227161505 /nfs/dbraw/zinc/16/15/05/227161505.db2.gz DTMTULJJHPERRF-KGLIPLIRSA-N 1 1 252.402 3.063 20 30 CGEDMO C=CCCn1cc(C[N@@H+](CC2CCCCC2)C2CC2)nn1 ZINC000653499462 419037653 /nfs/dbraw/zinc/03/76/53/419037653.db2.gz NLNRISVFCAUPEK-UHFFFAOYSA-N 1 1 288.439 3.399 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CCc3ccccc3[C@H]2CC)nn1 ZINC000653556693 419046831 /nfs/dbraw/zinc/04/68/31/419046831.db2.gz DCXWCLWSKVYZAC-GOSISDBHSA-N 1 1 296.418 3.364 20 30 CGEDMO C=CCCn1cc(C[N@H+]2CCc3ccccc3[C@H]2CC)nn1 ZINC000653556693 419046834 /nfs/dbraw/zinc/04/68/34/419046834.db2.gz DCXWCLWSKVYZAC-GOSISDBHSA-N 1 1 296.418 3.364 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)[C@@H]1COC(C)(C)C1 ZINC000659849446 419010935 /nfs/dbraw/zinc/01/09/35/419010935.db2.gz PBUXXOFGSODJEB-HNNXBMFYSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CC[N@H+](CCSc1cccc(OC)c1)C1CC1 ZINC000660169456 419092695 /nfs/dbraw/zinc/09/26/95/419092695.db2.gz IEQXGPBFMJVTJR-UHFFFAOYSA-N 1 1 263.406 3.438 20 30 CGEDMO C=CCCC(C)(C)NC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000665269840 419096345 /nfs/dbraw/zinc/09/63/45/419096345.db2.gz NSKPPPOMQQUROD-HUUCEWRRSA-N 1 1 293.455 3.047 20 30 CGEDMO C=CCCC(C)(C)NC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000665269838 419096486 /nfs/dbraw/zinc/09/64/86/419096486.db2.gz NSKPPPOMQQUROD-CABCVRRESA-N 1 1 293.455 3.047 20 30 CGEDMO C=CCCn1cc(C[N@H+](CC)[C@@H]2CCCC[C@H]2C)nn1 ZINC000653632595 419062572 /nfs/dbraw/zinc/06/25/72/419062572.db2.gz ZYRSSMMHZDJIJA-GDBMZVCRSA-N 1 1 276.428 3.255 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CC[C@H](CC(C)(C)C)C2)nn1 ZINC000653754994 419080587 /nfs/dbraw/zinc/08/05/87/419080587.db2.gz DNBGKYOLGWCYQC-CQSZACIVSA-N 1 1 276.428 3.112 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cn(-c2ccc(C)cc2)nc1C ZINC000656256417 419160038 /nfs/dbraw/zinc/16/00/38/419160038.db2.gz ZQBDOWUYQJVDSR-UHFFFAOYSA-N 1 1 269.392 3.497 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000660716829 419186283 /nfs/dbraw/zinc/18/62/83/419186283.db2.gz AYAZMRLZBNNGKK-UHFFFAOYSA-N 1 1 274.412 3.304 20 30 CGEDMO C=CCCn1cc(C[NH2+]Cc2ccc(C(C)C)cc2)nn1 ZINC000657327372 419251234 /nfs/dbraw/zinc/25/12/34/419251234.db2.gz KQPFNDGESLAYDM-UHFFFAOYSA-N 1 1 284.407 3.267 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2nc(CC(C)C)no2)C1 ZINC000661377613 419255049 /nfs/dbraw/zinc/25/50/49/419255049.db2.gz QMSDRZCVHOKTGO-CYBMUJFWSA-N 1 1 263.385 3.056 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2nc(CC(C)C)no2)C1 ZINC000661377613 419255051 /nfs/dbraw/zinc/25/50/51/419255051.db2.gz QMSDRZCVHOKTGO-CYBMUJFWSA-N 1 1 263.385 3.056 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](CCCOCC(F)(F)F)C1 ZINC000661379067 419255294 /nfs/dbraw/zinc/25/52/94/419255294.db2.gz RVHLWMHYHKFVPQ-LBPRGKRZSA-N 1 1 265.319 3.244 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2nc3ccccc3c(=O)[nH]2)C1 ZINC000661380939 419256229 /nfs/dbraw/zinc/25/62/29/419256229.db2.gz RLPVOUUCMOJIEJ-CYBMUJFWSA-N 1 1 283.375 3.124 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2nc3ccccc3c(=O)[nH]2)C1 ZINC000661380939 419256231 /nfs/dbraw/zinc/25/62/31/419256231.db2.gz RLPVOUUCMOJIEJ-CYBMUJFWSA-N 1 1 283.375 3.124 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661434920 419259068 /nfs/dbraw/zinc/25/90/68/419259068.db2.gz CUOILFVWJFHHTE-ZFWWWQNUSA-N 1 1 261.365 3.134 20 30 CGEDMO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(CCC)n1 ZINC000661115112 419231781 /nfs/dbraw/zinc/23/17/81/419231781.db2.gz AFYCOWDYMUMVTF-CHWSQXEVSA-N 1 1 263.385 3.247 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@@H]2CCCc3ccc(C)cc32)nn1 ZINC000657472545 419285771 /nfs/dbraw/zinc/28/57/71/419285771.db2.gz USWNJZMMLFKTKB-GOSISDBHSA-N 1 1 296.418 3.330 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1ccc(C)cc1F)C(C)(C)C ZINC000661754929 419295214 /nfs/dbraw/zinc/29/52/14/419295214.db2.gz HNGFLOBQAQKUSC-UHFFFAOYSA-N 1 1 278.371 3.359 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn2cc(C)ccc2n1 ZINC000662081181 419333115 /nfs/dbraw/zinc/33/31/15/419333115.db2.gz UQRUFEPJCVLOGD-IYBDPMFKSA-N 1 1 267.376 3.326 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn2ccccc2n1 ZINC000662079642 419333155 /nfs/dbraw/zinc/33/31/55/419333155.db2.gz IDOWBLQBDFQQLA-GASCZTMLSA-N 1 1 253.349 3.017 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](Cc1ccccc1)OC ZINC000662089528 419334216 /nfs/dbraw/zinc/33/42/16/419334216.db2.gz BSLFSNBRJZZYRJ-FGTMMUONSA-N 1 1 271.404 3.427 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)N2CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000662088560 419334224 /nfs/dbraw/zinc/33/42/24/419334224.db2.gz JFUNDPZVYCVUBU-WNKDZCFJSA-N 1 1 262.441 3.147 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCN1C[C@H](C)C[C@H](C)C1 ZINC000662088560 419334225 /nfs/dbraw/zinc/33/42/25/419334225.db2.gz JFUNDPZVYCVUBU-WNKDZCFJSA-N 1 1 262.441 3.147 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN1C[C@H](C)C[C@H](C)C1 ZINC000662088560 419334226 /nfs/dbraw/zinc/33/42/26/419334226.db2.gz JFUNDPZVYCVUBU-WNKDZCFJSA-N 1 1 262.441 3.147 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)c1ccc(OC)cc1 ZINC000662090095 419334787 /nfs/dbraw/zinc/33/47/87/419334787.db2.gz IPIITIMKZDCEAD-IYBDPMFKSA-N 1 1 285.387 3.451 20 30 CGEDMO C=CCCn1cc(C[N@H+]2[C@H](CC)CCC[C@@H]2C)nn1 ZINC000662161816 419349816 /nfs/dbraw/zinc/34/98/16/419349816.db2.gz ZRTCHXDZVVYRJM-DZGCQCFKSA-N 1 1 262.401 3.007 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662229122 419366664 /nfs/dbraw/zinc/36/66/64/419366664.db2.gz PLIMYFGKQMQNAO-VXGBXAGGSA-N 1 1 265.319 3.384 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)[C@@H](C)c1nc(C)no1 ZINC000662574593 419456035 /nfs/dbraw/zinc/45/60/35/419456035.db2.gz SHZHYLDYCXVXKG-ZDUSSCGKSA-N 1 1 271.364 3.170 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)[C@@H](C)c1nc(C)no1 ZINC000662574593 419456042 /nfs/dbraw/zinc/45/60/42/419456042.db2.gz SHZHYLDYCXVXKG-ZDUSSCGKSA-N 1 1 271.364 3.170 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC000363360208 260135184 /nfs/dbraw/zinc/13/51/84/260135184.db2.gz DZGZKHZIUYYCCG-HNNXBMFYSA-N 1 1 287.407 3.149 20 30 CGEDMO C=CC[NH+](CC=C)[C@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000297856780 260135704 /nfs/dbraw/zinc/13/57/04/260135704.db2.gz LQGROCIQWILNON-GFCCVEGCSA-N 1 1 263.337 3.110 20 30 CGEDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000447843923 260142830 /nfs/dbraw/zinc/14/28/30/260142830.db2.gz OLKFUYVQHMTOMA-YOEHRIQHSA-N 1 1 291.822 3.317 20 30 CGEDMO N#CCSCCC[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000074991431 260289067 /nfs/dbraw/zinc/28/90/67/260289067.db2.gz BEQPASAHGOGJPW-MRXNPFEDSA-N 1 1 274.433 3.198 20 30 CGEDMO COc1ccc([C@H]2CC[N@@H+](CCCSCC#N)C2)cc1 ZINC000080627882 260317299 /nfs/dbraw/zinc/31/72/99/260317299.db2.gz IKQGAWQAMMGZJH-HNNXBMFYSA-N 1 1 290.432 3.131 20 30 CGEDMO Cn1cc(Cl)cc1C[N@@H+](C)CCCC(C)(C)C#N ZINC000120189876 260700716 /nfs/dbraw/zinc/70/07/16/260700716.db2.gz WQKPOASKQSYLIO-UHFFFAOYSA-N 1 1 267.804 3.440 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000361372828 261226505 /nfs/dbraw/zinc/22/65/05/261226505.db2.gz APZZDFLMMWHGGQ-JONQDZQNSA-N 1 1 251.414 3.214 20 30 CGEDMO C=C(C)COc1cc(C[NH2+][C@H](CC)CC#N)ccc1OC ZINC000184083400 262007114 /nfs/dbraw/zinc/00/71/14/262007114.db2.gz OVKJIOVSJOGSHS-OAHLLOKOSA-N 1 1 288.391 3.432 20 30 CGEDMO CCCOc1ccc(C[NH2+][C@H](CC)CC#N)cc1OC ZINC000184089043 262008200 /nfs/dbraw/zinc/00/82/00/262008200.db2.gz WSPOQFYUCVUWET-CQSZACIVSA-N 1 1 276.380 3.266 20 30 CGEDMO CC[N@@H+](CC[C@H](C)OCc1ccccc1)C[C@@H](C)C#N ZINC000354875268 262318382 /nfs/dbraw/zinc/31/83/82/262318382.db2.gz WLNLWKYVMTXDFC-HOTGVXAUSA-N 1 1 274.408 3.463 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000365252556 262355235 /nfs/dbraw/zinc/35/52/35/262355235.db2.gz CKYDAPXFEPWLBR-RBUKOAKNSA-N 1 1 283.415 3.177 20 30 CGEDMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1CCCSCC#N ZINC000336787755 262395142 /nfs/dbraw/zinc/39/51/42/262395142.db2.gz MWYWBCNWZYLPOZ-SNVBAGLBSA-N 1 1 280.359 3.296 20 30 CGEDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1CCCCC(C)(C)C#N ZINC000336806203 262395651 /nfs/dbraw/zinc/39/56/51/262395651.db2.gz LAEJYFKGNQXPQH-GJZGRUSLSA-N 1 1 266.429 3.332 20 30 CGEDMO CCOCCC[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000336820938 262397727 /nfs/dbraw/zinc/39/77/27/262397727.db2.gz FZGARYRCCFDXGL-SJORKVTESA-N 1 1 272.392 3.185 20 30 CGEDMO CC(C)(C#N)CC[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000272020810 263001332 /nfs/dbraw/zinc/00/13/32/263001332.db2.gz MWSNJCKIVCOVCC-KRWDZBQOSA-N 1 1 286.419 3.298 20 30 CGEDMO CC[C@H](O)C[N@@H+](CCC(C)(C)C#N)Cc1ccccc1 ZINC000272034157 263001468 /nfs/dbraw/zinc/00/14/68/263001468.db2.gz PQRYVYFYKYVDBU-INIZCTEOSA-N 1 1 274.408 3.199 20 30 CGEDMO CC1(C#N)CCN(Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000272512813 263005699 /nfs/dbraw/zinc/00/56/99/263005699.db2.gz JLBHMBIUZBOBTR-UHFFFAOYSA-N 1 1 280.375 3.202 20 30 CGEDMO CC1(C#N)CC[NH+](Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000272512813 263005700 /nfs/dbraw/zinc/00/57/00/263005700.db2.gz JLBHMBIUZBOBTR-UHFFFAOYSA-N 1 1 280.375 3.202 20 30 CGEDMO N#CCCCC[N@@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000272690607 263008031 /nfs/dbraw/zinc/00/80/31/263008031.db2.gz CHOLPTQWGGISDU-UHFFFAOYSA-N 1 1 298.365 3.063 20 30 CGEDMO CO[C@H](C)c1nc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)cs1 ZINC000278908076 263051799 /nfs/dbraw/zinc/05/17/99/263051799.db2.gz ZXAIWOJZGGFGEQ-IJLUTSLNSA-N 1 1 279.409 3.022 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000280951373 263065238 /nfs/dbraw/zinc/06/52/38/263065238.db2.gz ISRJTRKZIVLSRE-MRXNPFEDSA-N 1 1 287.407 3.002 20 30 CGEDMO C=CCN1CC[C@H]([N@H+](Cc2ccc(C)s2)C(C)C)C1=O ZINC000281905838 263072850 /nfs/dbraw/zinc/07/28/50/263072850.db2.gz GCBGEKAXPBASBW-HNNXBMFYSA-N 1 1 292.448 3.054 20 30 CGEDMO COc1ccc(Cl)cc1C[N@@H+](C)[C@H]1CC[C@H](C#N)C1 ZINC000284318281 263086450 /nfs/dbraw/zinc/08/64/50/263086450.db2.gz PMSZSDQQPPTTDY-FZMZJTMJSA-N 1 1 278.783 3.473 20 30 CGEDMO N#C[C@H]1CC[C@@H]([N@@H+]2CCc3[nH]c4ccccc4c3C2)C1 ZINC000292879237 263136020 /nfs/dbraw/zinc/13/60/20/263136020.db2.gz TYYNYXQIRNWEFN-QWHCGFSZSA-N 1 1 265.360 3.218 20 30 CGEDMO N#C[C@H]1CC[C@@H]([N@H+]2CCc3[nH]c4ccccc4c3C2)C1 ZINC000292879237 263136021 /nfs/dbraw/zinc/13/60/21/263136021.db2.gz TYYNYXQIRNWEFN-QWHCGFSZSA-N 1 1 265.360 3.218 20 30 CGEDMO CC(C)[C@H](c1ccccc1)[N@@H+](C)CCOCCC#N ZINC000293078834 263137642 /nfs/dbraw/zinc/13/76/42/263137642.db2.gz MISDHPZRSCHRCO-MRXNPFEDSA-N 1 1 260.381 3.246 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](c3cccc(F)c3)C2)C1 ZINC000293229373 263138774 /nfs/dbraw/zinc/13/87/74/263138774.db2.gz VWOVECYTQBBSMK-XNRPHZJLSA-N 1 1 258.340 3.307 20 30 CGEDMO Cc1ccc([C@@H]2C[C@@H](C)[N@H+](CCOCCC#N)C2)cc1 ZINC000294171823 263157208 /nfs/dbraw/zinc/15/72/08/263157208.db2.gz PYQWKUCNSAMXSZ-NVXWUHKLSA-N 1 1 272.392 3.103 20 30 CGEDMO N#C[C@H]1CC[C@@H]([N@@H+]2CCc3cc(Cl)ccc3C2)C1 ZINC000294387039 263160765 /nfs/dbraw/zinc/16/07/65/263160765.db2.gz BUULEKPLLDCAPB-XHDPSFHLSA-N 1 1 260.768 3.390 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1c(C)nc2scc(C3CC3)n12 ZINC000297725428 263208867 /nfs/dbraw/zinc/20/88/67/263208867.db2.gz SDLAMBCSXLZPDP-LBPRGKRZSA-N 1 1 288.420 3.364 20 30 CGEDMO COc1ccc([C@H]2CC[N@H+]([C@@H](C)CCC#N)C2)cc1 ZINC000298034715 263214107 /nfs/dbraw/zinc/21/41/07/263214107.db2.gz FZGCSIHFVWKAPA-ZFWWWQNUSA-N 1 1 258.365 3.177 20 30 CGEDMO CCc1ccc([C@@H]2C[N@@H+]([C@H](C)CCC#N)CCO2)cc1 ZINC000298656809 263223681 /nfs/dbraw/zinc/22/36/81/263223681.db2.gz XTSYGLMMDLNNLX-PBHICJAKSA-N 1 1 272.392 3.315 20 30 CGEDMO CCc1ccc([C@@H]2C[N@H+]([C@H](C)CCC#N)CCO2)cc1 ZINC000298656809 263223682 /nfs/dbraw/zinc/22/36/82/263223682.db2.gz XTSYGLMMDLNNLX-PBHICJAKSA-N 1 1 272.392 3.315 20 30 CGEDMO C=CC[C@@H](CO)CNc1cc(C)[nH+]c2c(OC)cccc12 ZINC000340905325 263309280 /nfs/dbraw/zinc/30/92/80/263309280.db2.gz YLHBQBRAXBJIKU-CYBMUJFWSA-N 1 1 286.375 3.148 20 30 CGEDMO C=C1CC[NH+](CC(=O)N(C2CC2)C2CCC(C)CC2)CC1 ZINC000341990477 263382116 /nfs/dbraw/zinc/38/21/16/263382116.db2.gz COZUMNRDGVTJNB-UHFFFAOYSA-N 1 1 290.451 3.208 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+](C[C@H]2CCOC2)C2CC2)cc1 ZINC000129996133 264339945 /nfs/dbraw/zinc/33/99/45/264339945.db2.gz MMKBGFUTANRKTF-QGZVFWFLSA-N 1 1 299.414 3.090 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1cc(F)ccc1F ZINC000076734033 264344137 /nfs/dbraw/zinc/34/41/37/264344137.db2.gz XOKYVLPIYNFFTK-LLVKDONJSA-N 1 1 282.334 3.190 20 30 CGEDMO C=CCOc1cccc(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)c1 ZINC000130639773 264359941 /nfs/dbraw/zinc/35/99/41/264359941.db2.gz VUANIFDCXLYDSS-DOTOQJQBSA-N 1 1 288.435 3.166 20 30 CGEDMO C=CCOc1cccc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000130639773 264359943 /nfs/dbraw/zinc/35/99/43/264359943.db2.gz VUANIFDCXLYDSS-DOTOQJQBSA-N 1 1 288.435 3.166 20 30 CGEDMO C=CCOc1cccc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000130639773 264359945 /nfs/dbraw/zinc/35/99/45/264359945.db2.gz VUANIFDCXLYDSS-DOTOQJQBSA-N 1 1 288.435 3.166 20 30 CGEDMO C=CCOc1cccc(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000130639568 264360042 /nfs/dbraw/zinc/36/00/42/264360042.db2.gz VUANIFDCXLYDSS-NVXWUHKLSA-N 1 1 288.435 3.166 20 30 CGEDMO C=CCOc1cccc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000130639568 264360045 /nfs/dbraw/zinc/36/00/45/264360045.db2.gz VUANIFDCXLYDSS-NVXWUHKLSA-N 1 1 288.435 3.166 20 30 CGEDMO C=CCOc1cccc(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000130639568 264360048 /nfs/dbraw/zinc/36/00/48/264360048.db2.gz VUANIFDCXLYDSS-NVXWUHKLSA-N 1 1 288.435 3.166 20 30 CGEDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)CCC(C)(C)C#N)C1(C)C ZINC000345706043 265097842 /nfs/dbraw/zinc/09/78/42/265097842.db2.gz FUVFOQKNEGLJDF-DOMZBBRYSA-N 1 1 252.402 3.062 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000187153518 270067860 /nfs/dbraw/zinc/06/78/60/270067860.db2.gz CTQDWCNPACPSJF-TXEJJXNPSA-N 1 1 260.768 3.444 20 30 CGEDMO C=C(C)C[N@@H+](Cc1c[nH]c2nccnc12)Cc1ccccc1 ZINC000356381776 266105516 /nfs/dbraw/zinc/10/55/16/266105516.db2.gz AVESHKDZKWEQNO-UHFFFAOYSA-N 1 1 292.386 3.488 20 30 CGEDMO C=CC[C@@H]1[N@H+](Cc2c[nH]c3nccnc23)CCCC1(C)C ZINC000356407077 266108835 /nfs/dbraw/zinc/10/88/35/266108835.db2.gz NOKWVIKYPGYHFD-AWEZNQCLSA-N 1 1 284.407 3.476 20 30 CGEDMO C=CCCC1(C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000356487789 266124449 /nfs/dbraw/zinc/12/44/49/266124449.db2.gz YOOBCQAKGVQWCE-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO CC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000519818435 267200992 /nfs/dbraw/zinc/20/09/92/267200992.db2.gz GBOYPBRKQKPXNO-GFCCVEGCSA-N 1 1 273.336 3.088 20 30 CGEDMO N#CCCCC[N@@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000368903580 267211317 /nfs/dbraw/zinc/21/13/17/267211317.db2.gz YDGSTKXKXCFQCX-IAGOWNOFSA-N 1 1 272.392 3.268 20 30 CGEDMO C=CCCC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000117874771 267224221 /nfs/dbraw/zinc/22/42/21/267224221.db2.gz OYJOAIHFZUMUKJ-UHFFFAOYSA-N 1 1 285.391 3.100 20 30 CGEDMO CC#CC[NH2+][C@H](c1ccc(C)cc1)c1ccccn1 ZINC000369318542 267235563 /nfs/dbraw/zinc/23/55/63/267235563.db2.gz DKXALTSROYCXDO-QGZVFWFLSA-N 1 1 250.345 3.092 20 30 CGEDMO C[C@]1(c2ccccc2)CC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000370395311 267316390 /nfs/dbraw/zinc/31/63/90/267316390.db2.gz ONVVJAYCBQSNOV-RDJZCZTQSA-N 1 1 267.376 3.094 20 30 CGEDMO C[C@]1(c2ccccc2)CC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000370395311 267316391 /nfs/dbraw/zinc/31/63/91/267316391.db2.gz ONVVJAYCBQSNOV-RDJZCZTQSA-N 1 1 267.376 3.094 20 30 CGEDMO C[C@H]1C[C@H](NCC2(C#N)CCC2)C[N@H+](Cc2ccccc2)C1 ZINC000418141773 267364267 /nfs/dbraw/zinc/36/42/67/267364267.db2.gz LSPKQQIDJPNLKK-WMZOPIPTSA-N 1 1 297.446 3.180 20 30 CGEDMO C[C@H]1C[C@H](NCC2(C#N)CCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000418141773 267364271 /nfs/dbraw/zinc/36/42/71/267364271.db2.gz LSPKQQIDJPNLKK-WMZOPIPTSA-N 1 1 297.446 3.180 20 30 CGEDMO Cn1cc(C[NH2+]CC2(C#N)CCC2)c(-c2ccc(F)cc2)n1 ZINC000418137996 267371453 /nfs/dbraw/zinc/37/14/53/267371453.db2.gz FQJGFRKSUYTFGR-UHFFFAOYSA-N 1 1 298.365 3.010 20 30 CGEDMO C[C@@H]1CC(F)(F)CC[N@H+]1CCOc1cccc(C#N)c1 ZINC000528766480 270171758 /nfs/dbraw/zinc/17/17/58/270171758.db2.gz LCMGFOJLVXLWPH-GFCCVEGCSA-N 1 1 280.318 3.057 20 30 CGEDMO Cc1ccc([C@@H]2CC[N@@H+](CCCSCC#N)C2)cc1 ZINC000371749317 267456869 /nfs/dbraw/zinc/45/68/69/267456869.db2.gz YWWIRZAQNZEHOG-MRXNPFEDSA-N 1 1 274.433 3.431 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000459493201 268290935 /nfs/dbraw/zinc/29/09/35/268290935.db2.gz YNOHGICGTVXFKE-CYBMUJFWSA-N 1 1 285.347 3.088 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@H](CC2CC2)C1 ZINC000459493201 268290937 /nfs/dbraw/zinc/29/09/37/268290937.db2.gz YNOHGICGTVXFKE-CYBMUJFWSA-N 1 1 285.347 3.088 20 30 CGEDMO CC(C)[N@@H+](CCC(=O)Nc1sccc1C#N)CC1CC1 ZINC000532668242 270218350 /nfs/dbraw/zinc/21/83/50/270218350.db2.gz MFEHPMFWODCPHZ-UHFFFAOYSA-N 1 1 291.420 3.069 20 30 CGEDMO CO[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)CC1(C)C ZINC000296257767 274064026 /nfs/dbraw/zinc/06/40/26/274064026.db2.gz YECQYUJOKSHRPL-MRXNPFEDSA-N 1 1 291.822 3.438 20 30 CGEDMO CCC[C@@]1(CO)CC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000288899708 276036976 /nfs/dbraw/zinc/03/69/76/276036976.db2.gz SMCGGPZADUYIHW-WMLDXEAASA-N 1 1 272.392 3.104 20 30 CGEDMO C[C@@H](C[NH+]1CCCCCC1)N[C@H]1CCc2ccc(C#N)cc21 ZINC000353593750 278255989 /nfs/dbraw/zinc/25/59/89/278255989.db2.gz DURXYSBCDYOHTE-KXBFYZLASA-N 1 1 297.446 3.400 20 30 CGEDMO C[C@@H](NCCC[N@@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1 ZINC000248530671 278344575 /nfs/dbraw/zinc/34/45/75/278344575.db2.gz NPVYJKMFOOYPEE-HZPDHXFCSA-N 1 1 285.435 3.473 20 30 CGEDMO C[C@@H](NCCC[N@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1 ZINC000248530671 278344577 /nfs/dbraw/zinc/34/45/77/278344577.db2.gz NPVYJKMFOOYPEE-HZPDHXFCSA-N 1 1 285.435 3.473 20 30 CGEDMO C[C@@H]1[N@@H+](CC#Cc2ccc(F)cc2)CCC12CCOCC2 ZINC000335997489 279024978 /nfs/dbraw/zinc/02/49/78/279024978.db2.gz IMQJVPWMAIAKBK-HNNXBMFYSA-N 1 1 287.378 3.068 20 30 CGEDMO CC[N@H+]1CCN(Cc2ccccc2C(C)(C)C#N)[C@H](C)C1 ZINC000352669214 279363624 /nfs/dbraw/zinc/36/36/24/279363624.db2.gz YBBMBAHJRDKGPP-OAHLLOKOSA-N 1 1 285.435 3.014 20 30 CGEDMO CCN1CC[N@H+](Cc2ccccc2C(C)(C)C#N)[C@H](C)C1 ZINC000352669214 279363627 /nfs/dbraw/zinc/36/36/27/279363627.db2.gz YBBMBAHJRDKGPP-OAHLLOKOSA-N 1 1 285.435 3.014 20 30 CGEDMO CCN1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@H](C)C1 ZINC000352669214 279363629 /nfs/dbraw/zinc/36/36/29/279363629.db2.gz YBBMBAHJRDKGPP-OAHLLOKOSA-N 1 1 285.435 3.014 20 30 CGEDMO CCCC[N@@H+](C)C[C@@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000554992179 289322689 /nfs/dbraw/zinc/32/26/89/289322689.db2.gz ZLKIFIJWSYGKQM-KGLIPLIRSA-N 1 1 291.414 3.468 20 30 CGEDMO CCCCN(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000554992179 289322692 /nfs/dbraw/zinc/32/26/92/289322692.db2.gz ZLKIFIJWSYGKQM-KGLIPLIRSA-N 1 1 291.414 3.468 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000342026118 290220773 /nfs/dbraw/zinc/22/07/73/290220773.db2.gz VZDUZDSHEHHHQU-RHSMWYFYSA-N 1 1 270.376 3.122 20 30 CGEDMO N#CC1(CC[N@H+]2CCS[C@H]3COCC[C@H]32)CCCCC1 ZINC000334562564 303141510 /nfs/dbraw/zinc/14/15/10/303141510.db2.gz MZQCRBKNIPQMHP-CABCVRRESA-N 1 1 294.464 3.057 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCS[C@H]3CCCC[C@H]32)cc1 ZINC000246138725 303190995 /nfs/dbraw/zinc/19/09/95/303190995.db2.gz NKZWETIZZBGGKX-CVEARBPZSA-N 1 1 272.417 3.418 20 30 CGEDMO N#Cc1ccc2c(c1)[C@@H]([N@H+]1CCC[C@]3(CCOC3)C1)CC2 ZINC000334531824 303201556 /nfs/dbraw/zinc/20/15/56/303201556.db2.gz VFJMHIRXAFVIRW-ROUUACIJSA-N 1 1 282.387 3.048 20 30 CGEDMO CCCC(N)=[NH+]OCc1sc(C)nc1C(F)(F)F ZINC000184200835 327825021 /nfs/dbraw/zinc/82/50/21/327825021.db2.gz KPCHACGECUGYAN-UHFFFAOYSA-N 1 1 281.303 3.059 20 30 CGEDMO CCc1nc(C[N@@H+](C)CC(C)(C)CCC#N)cs1 ZINC000534349332 328047800 /nfs/dbraw/zinc/04/78/00/328047800.db2.gz ITJBJECFJQIEMS-UHFFFAOYSA-N 1 1 265.426 3.467 20 30 CGEDMO C[C@H](c1ccccn1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000563405384 328062950 /nfs/dbraw/zinc/06/29/50/328062950.db2.gz ZCSPJWIFKTXDFD-OAHLLOKOSA-N 1 1 292.386 3.095 20 30 CGEDMO C[C@@H](C#N)C[N@H+](C[C@@H]1CCC2(CCCC2)O1)C1CC1 ZINC000571107538 328086099 /nfs/dbraw/zinc/08/60/99/328086099.db2.gz KUJKPKRKTADRIR-ZFWWWQNUSA-N 1 1 262.397 3.102 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C[C@@H]1CCC2(CCCC2)O1)C1CC1 ZINC000571107538 328086101 /nfs/dbraw/zinc/08/61/01/328086101.db2.gz KUJKPKRKTADRIR-ZFWWWQNUSA-N 1 1 262.397 3.102 20 30 CGEDMO C[N@@H+](CCCCC(C)(C)C#N)[C@H](CO)c1ccccc1 ZINC000277768343 328222710 /nfs/dbraw/zinc/22/27/10/328222710.db2.gz QWYUTSJKGPWIES-MRXNPFEDSA-N 1 1 274.408 3.372 20 30 CGEDMO C[C@]1(Cc2ccccc2)CCC[N@H+]1CCOCCC#N ZINC000294363095 328280679 /nfs/dbraw/zinc/28/06/79/328280679.db2.gz ASZVOPRUVNSYCH-QGZVFWFLSA-N 1 1 272.392 3.014 20 30 CGEDMO CC(C)(CCC#N)C[NH2+]Cc1noc(-c2cccs2)n1 ZINC000295085814 328284976 /nfs/dbraw/zinc/28/49/76/328284976.db2.gz SPWGNCIMMVEYGR-UHFFFAOYSA-N 1 1 290.392 3.218 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2cc(F)cc(F)c2)c(F)c1 ZINC000161982987 321876164 /nfs/dbraw/zinc/87/61/64/321876164.db2.gz KLRUZCFGMTYKTG-UHFFFAOYSA-N 1 1 276.261 3.265 20 30 CGEDMO CC(C)c1ccc([C@H]([NH3+])CNCc2cccc(C#N)c2)cc1 ZINC000565044707 322056363 /nfs/dbraw/zinc/05/63/63/322056363.db2.gz SAAYYQVTYWNPOF-LJQANCHMSA-N 1 1 293.414 3.471 20 30 CGEDMO CC[N@H+](Cc1cccc(F)c1)Cc1ccc(C#N)cn1 ZINC000566417963 322121279 /nfs/dbraw/zinc/12/12/79/322121279.db2.gz XSOPWPDHFFNNTM-UHFFFAOYSA-N 1 1 269.323 3.114 20 30 CGEDMO CC[N@@H+](Cc1cccc(F)c1)Cc1ccc(C#N)cn1 ZINC000566417963 322121280 /nfs/dbraw/zinc/12/12/80/322121280.db2.gz XSOPWPDHFFNNTM-UHFFFAOYSA-N 1 1 269.323 3.114 20 30 CGEDMO N#Cc1cccc(OCC[N@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000566596025 322130697 /nfs/dbraw/zinc/13/06/97/322130697.db2.gz VOHUTLKTIPCLFW-SFHVURJKSA-N 1 1 293.370 3.169 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000567052789 322148622 /nfs/dbraw/zinc/14/86/22/322148622.db2.gz JPPCWZVOXHAACT-UHFFFAOYSA-N 1 1 287.363 3.477 20 30 CGEDMO CC(C)CC[C@@H]1CCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000567111612 322150672 /nfs/dbraw/zinc/15/06/72/322150672.db2.gz PGUWODHOKYQZMC-INIZCTEOSA-N 1 1 297.406 3.002 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCC3(CCCC3)C2)nc1 ZINC000569351670 322244609 /nfs/dbraw/zinc/24/46/09/322244609.db2.gz LADSTJPTPOZDCP-UHFFFAOYSA-N 1 1 255.365 3.109 20 30 CGEDMO CC[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000571341004 322296087 /nfs/dbraw/zinc/29/60/87/322296087.db2.gz WIZUNXCBLKQMNF-HOCLYGCPSA-N 1 1 257.381 3.354 20 30 CGEDMO Cc1nc(N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c(Cl)cc1C#N ZINC000573380709 322385094 /nfs/dbraw/zinc/38/50/94/322385094.db2.gz HYIXWENEORXHHL-HZMBPMFUSA-N 1 1 292.814 3.056 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000573448742 322388080 /nfs/dbraw/zinc/38/80/80/322388080.db2.gz JWUMAEQUUAYKFR-DAXOMENPSA-N 1 1 299.374 3.477 20 30 CGEDMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCCSCC#N ZINC000074980433 327122487 /nfs/dbraw/zinc/12/24/87/327122487.db2.gz DELZJEULXYSNEO-LBPRGKRZSA-N 1 1 266.385 3.465 20 30 CGEDMO C=CC[N@H+](CCCSCC#N)Cc1ccc(OC)cc1 ZINC000074982043 327122737 /nfs/dbraw/zinc/12/27/37/327122737.db2.gz QYKGOJOQNGFQDX-UHFFFAOYSA-N 1 1 290.432 3.330 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)C1 ZINC000559247788 327150217 /nfs/dbraw/zinc/15/02/17/327150217.db2.gz IMVYCKNUMKSHFP-QGPMSJSTSA-N 1 1 282.387 3.148 20 30 CGEDMO C=CCOCC[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000559266863 327152406 /nfs/dbraw/zinc/15/24/06/327152406.db2.gz HERUAJBAQOOONA-CQSZACIVSA-N 1 1 265.784 3.332 20 30 CGEDMO CC#CC[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000159421015 327184165 /nfs/dbraw/zinc/18/41/65/327184165.db2.gz PCQCJMXERAISKO-UHFFFAOYSA-N 1 1 299.393 3.114 20 30 CGEDMO C=CC[N@@H+](Cc1c[nH]c(C(=O)OC)c1)Cc1cccs1 ZINC000119940345 327295788 /nfs/dbraw/zinc/29/57/88/327295788.db2.gz HELXLQGKZFSUBS-UHFFFAOYSA-N 1 1 290.388 3.051 20 30 CGEDMO C=CC[N@H+](Cc1c[nH]c(C(=O)OC)c1)Cc1cccs1 ZINC000119940345 327295790 /nfs/dbraw/zinc/29/57/90/327295790.db2.gz HELXLQGKZFSUBS-UHFFFAOYSA-N 1 1 290.388 3.051 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000150903037 327397017 /nfs/dbraw/zinc/39/70/17/327397017.db2.gz UCRJLZWNTCPBPP-RDJZCZTQSA-N 1 1 293.455 3.108 20 30 CGEDMO C=CC[N@@H+](CCOCC1CC1)Cc1ccccc1F ZINC000172759592 329138409 /nfs/dbraw/zinc/13/84/09/329138409.db2.gz DIWUFMAHDZSRGP-UHFFFAOYSA-N 1 1 263.356 3.240 20 30 CGEDMO C=CC[N@H+](CCOCC1CC1)Cc1ccccc1F ZINC000172759592 329138411 /nfs/dbraw/zinc/13/84/11/329138411.db2.gz DIWUFMAHDZSRGP-UHFFFAOYSA-N 1 1 263.356 3.240 20 30 CGEDMO C=C(C)C[N@@H+](C)CC(=O)c1c(C)[nH]c2ccccc21 ZINC000181265847 329228867 /nfs/dbraw/zinc/22/88/67/329228867.db2.gz PQIGLTZQHPVQDZ-UHFFFAOYSA-N 1 1 256.349 3.167 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)c1c(C)[nH]c2ccccc21 ZINC000181265847 329228868 /nfs/dbraw/zinc/22/88/68/329228868.db2.gz PQIGLTZQHPVQDZ-UHFFFAOYSA-N 1 1 256.349 3.167 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCc2cccc(Cl)c2C1 ZINC000459682462 329359518 /nfs/dbraw/zinc/35/95/18/329359518.db2.gz RUMIAONRFDGEEB-CYBMUJFWSA-N 1 1 265.784 3.025 20 30 CGEDMO C[NH+](C)[C@@H]1CCC[C@@H](NC2CC(C#N)(c3ccccc3)C2)C1 ZINC000127526341 329600373 /nfs/dbraw/zinc/60/03/73/329600373.db2.gz NXXHZYPPJWXBOP-TXQGORRRSA-N 1 1 297.446 3.073 20 30 CGEDMO C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC(CCC#N)CC1 ZINC000564080485 329667663 /nfs/dbraw/zinc/66/76/63/329667663.db2.gz IFFGRNKAGPMMRT-NSHDSACASA-N 1 1 274.368 3.024 20 30 CGEDMO C=CCCCCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000572423119 330070906 /nfs/dbraw/zinc/07/09/06/330070906.db2.gz RKQUYQTZPJSGFD-MRXNPFEDSA-N 1 1 278.440 3.256 20 30 CGEDMO C[C@]1(CCCO)CCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000272066894 330084772 /nfs/dbraw/zinc/08/47/72/330084772.db2.gz YAQLHONOUJIHGL-QGZVFWFLSA-N 1 1 291.822 3.319 20 30 CGEDMO C=CC[C@H](C)[C@@H](C)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423528522 330210175 /nfs/dbraw/zinc/21/01/75/330210175.db2.gz OLTMCLMAOJRCCA-NKGVLMESSA-N 1 1 276.468 3.330 20 30 CGEDMO C=CC(C)(C)CC[NH2+][C@H]1CCN(CCCOCC)C[C@@H]1C ZINC000527922802 330295920 /nfs/dbraw/zinc/29/59/20/330295920.db2.gz AXPMZZWHAAHRQB-IRXDYDNUSA-N 1 1 296.499 3.315 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000532977803 330323646 /nfs/dbraw/zinc/32/36/46/330323646.db2.gz LCBWKOCLTGAFIA-UHFFFAOYSA-N 1 1 284.762 3.316 20 30 CGEDMO C=CCn1cc(C[NH2+][C@H]2CC[C@H](C)c3ccsc32)nn1 ZINC000424299675 330336881 /nfs/dbraw/zinc/33/68/81/330336881.db2.gz VXZIBYYGLWEVAA-FZMZJTMJSA-N 1 1 288.420 3.254 20 30 CGEDMO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000424318601 330339950 /nfs/dbraw/zinc/33/99/50/330339950.db2.gz DAJBXPMWTXSQOB-XGXHKWSGSA-N 1 1 297.446 3.179 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)CC1CCCCC1 ZINC000533222612 330353583 /nfs/dbraw/zinc/35/35/83/330353583.db2.gz IGTHXGVEKRWHFY-OAHLLOKOSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C1CC[NH+]([C@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)CC1 ZINC000533280534 330356324 /nfs/dbraw/zinc/35/63/24/330356324.db2.gz CQAVVHHFAHVGIU-JKSUJKDBSA-N 1 1 298.430 3.395 20 30 CGEDMO C=C1CC[NH+]([C@@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)CC1 ZINC000533280532 330356388 /nfs/dbraw/zinc/35/63/88/330356388.db2.gz CQAVVHHFAHVGIU-HOTGVXAUSA-N 1 1 298.430 3.395 20 30 CGEDMO CC(C)(C)c1cnc(C[NH+]2CCC(CC#N)CC2)o1 ZINC000542881556 330357154 /nfs/dbraw/zinc/35/71/54/330357154.db2.gz RVASIGWXSWXCQO-UHFFFAOYSA-N 1 1 261.369 3.098 20 30 CGEDMO C[N@@H+](CC#Cc1ccccc1Cl)[C@H]1CCSC1 ZINC000089936579 330388980 /nfs/dbraw/zinc/38/89/80/330388980.db2.gz UKDYKRGWXXBLEQ-ZDUSSCGKSA-N 1 1 265.809 3.129 20 30 CGEDMO COc1cc(C[NH2+]CC(C)(C)C#N)cc2ccccc21 ZINC000449241967 330909058 /nfs/dbraw/zinc/90/90/58/330909058.db2.gz VHLPOCKTCYDSMX-UHFFFAOYSA-N 1 1 268.360 3.488 20 30 CGEDMO N#CC1(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)CCC1 ZINC000450892976 331005217 /nfs/dbraw/zinc/00/52/17/331005217.db2.gz GAJQYDWQNYLDHW-ARFHVFGLSA-N 1 1 276.424 3.086 20 30 CGEDMO N#CC1(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)CCC1 ZINC000450892978 331005325 /nfs/dbraw/zinc/00/53/25/331005325.db2.gz GAJQYDWQNYLDHW-BZUAXINKSA-N 1 1 276.424 3.086 20 30 CGEDMO C[N@H+](CCCC(=O)c1ccccc1)CC(C)(C)C#N ZINC000451058497 331013934 /nfs/dbraw/zinc/01/39/34/331013934.db2.gz ANBKTMBMGODMNC-UHFFFAOYSA-N 1 1 258.365 3.131 20 30 CGEDMO C[N@@H+](CCCC(=O)c1ccccc1)CC(C)(C)C#N ZINC000451058497 331013935 /nfs/dbraw/zinc/01/39/35/331013935.db2.gz ANBKTMBMGODMNC-UHFFFAOYSA-N 1 1 258.365 3.131 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@@H]1C ZINC000451538639 331032990 /nfs/dbraw/zinc/03/29/90/331032990.db2.gz DNKBCOALWCPEKU-WMLDXEAASA-N 1 1 286.419 3.345 20 30 CGEDMO CCO[C@H]1CC[N@@H+](CCCC(C)(C)C#N)C[C@@H]1C ZINC000451540476 331033130 /nfs/dbraw/zinc/03/31/30/331033130.db2.gz KXELCHNCINQASJ-KBPBESRZSA-N 1 1 252.402 3.063 20 30 CGEDMO CO[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1C ZINC000451574184 331035059 /nfs/dbraw/zinc/03/50/59/331035059.db2.gz RIVCYJROXVDLMQ-XJKSGUPXSA-N 1 1 277.795 3.048 20 30 CGEDMO Clc1cccc(C#CC[N@H+]2CCC[C@]3(CCOC3)C2)c1 ZINC000451908728 331047113 /nfs/dbraw/zinc/04/71/13/331047113.db2.gz WQMXXFSRRWIGAT-KRWDZBQOSA-N 1 1 289.806 3.194 20 30 CGEDMO CC(C)N1CC[C@@H]([N@@H+](C)CCCCC(C)(C)C#N)C1 ZINC000452123160 331054978 /nfs/dbraw/zinc/05/49/78/331054978.db2.gz VDAFYEHSEWLEAO-OAHLLOKOSA-N 1 1 265.445 3.121 20 30 CGEDMO CC(C)[N@@H+]1CC[C@@H](N(C)CCCCC(C)(C)C#N)C1 ZINC000452123160 331054979 /nfs/dbraw/zinc/05/49/79/331054979.db2.gz VDAFYEHSEWLEAO-OAHLLOKOSA-N 1 1 265.445 3.121 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](N(C)CCCCC(C)(C)C#N)C1 ZINC000452123160 331054980 /nfs/dbraw/zinc/05/49/80/331054980.db2.gz VDAFYEHSEWLEAO-OAHLLOKOSA-N 1 1 265.445 3.121 20 30 CGEDMO C=CCC1(C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)CCCCC1 ZINC000452148410 331056044 /nfs/dbraw/zinc/05/60/44/331056044.db2.gz DPSDPTDYSDQTEO-GASCZTMLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC1(C(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC000452148410 331056045 /nfs/dbraw/zinc/05/60/45/331056045.db2.gz DPSDPTDYSDQTEO-GASCZTMLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC(C)(C)OC[C@@H]2C)c1 ZINC000488360483 332002002 /nfs/dbraw/zinc/00/20/02/332002002.db2.gz CSHSGGXRHYIRMN-AWEZNQCLSA-N 1 1 275.392 3.251 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000488550460 332016738 /nfs/dbraw/zinc/01/67/38/332016738.db2.gz FGRCZKSAJZVFIS-HNNXBMFYSA-N 1 1 292.810 3.343 20 30 CGEDMO C=CCCCCCN(C)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000498556406 332042640 /nfs/dbraw/zinc/04/26/40/332042640.db2.gz SFVYPBILXHPINU-INIZCTEOSA-N 1 1 280.456 3.456 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000489288770 332045412 /nfs/dbraw/zinc/04/54/12/332045412.db2.gz HYVVIAGVTICBOQ-QGZVFWFLSA-N 1 1 261.409 3.268 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1cccc(-n2cccn2)c1 ZINC000489437877 332052410 /nfs/dbraw/zinc/05/24/10/332052410.db2.gz WWGXADISKKFGCF-INIZCTEOSA-N 1 1 267.376 3.413 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(OC)cc2)o1 ZINC000489458516 332053818 /nfs/dbraw/zinc/05/38/18/332053818.db2.gz DTRFSQRHVRRATM-CQSZACIVSA-N 1 1 299.374 3.286 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(OC)cc2)o1 ZINC000489458516 332053819 /nfs/dbraw/zinc/05/38/19/332053819.db2.gz DTRFSQRHVRRATM-CQSZACIVSA-N 1 1 299.374 3.286 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000491450533 332213194 /nfs/dbraw/zinc/21/31/94/332213194.db2.gz AXQNXVGGDQAVSG-SNVBAGLBSA-N 1 1 299.201 3.276 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(OCc2ccncc2)cc1 ZINC000491621152 332246692 /nfs/dbraw/zinc/24/66/92/332246692.db2.gz CVICTJYJKBROOS-HNNXBMFYSA-N 1 1 280.371 3.114 20 30 CGEDMO C=CC[N@@H+](CCOC)CCc1ccc(F)cc1Cl ZINC000575376513 335099049 /nfs/dbraw/zinc/09/90/49/335099049.db2.gz TXGCUCRGGRTVAN-UHFFFAOYSA-N 1 1 271.763 3.156 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000552169120 334298279 /nfs/dbraw/zinc/29/82/79/334298279.db2.gz DOULKYWCMWUHCF-OAHLLOKOSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C(C)CC[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309789940 333049358 /nfs/dbraw/zinc/04/93/58/333049358.db2.gz OIUZWQSGKNUJRC-AEFFLSMTSA-N 1 1 272.436 3.453 20 30 CGEDMO C=CCNC(=O)[C@H](C)[N@H+](CC)C[C@H](CC)c1ccccc1 ZINC000186623199 333163874 /nfs/dbraw/zinc/16/38/74/333163874.db2.gz XBNUKKOZEINMTB-HOTGVXAUSA-N 1 1 288.435 3.193 20 30 CGEDMO CC[N@H+](CCOc1ccc(Cl)c(F)c1)C[C@@H](C)C#N ZINC000191976533 333228036 /nfs/dbraw/zinc/22/80/36/333228036.db2.gz VLFDLPLLMJBQKN-NSHDSACASA-N 1 1 284.762 3.339 20 30 CGEDMO CC[N@@H+](CCOc1ccc(Cl)c(F)c1)C[C@@H](C)C#N ZINC000191976533 333228037 /nfs/dbraw/zinc/22/80/37/333228037.db2.gz VLFDLPLLMJBQKN-NSHDSACASA-N 1 1 284.762 3.339 20 30 CGEDMO CN1CC[N@@H+](CCCC(C)(C)C#N)[C@H](c2ccccc2)C1 ZINC000227841711 333289134 /nfs/dbraw/zinc/28/91/34/333289134.db2.gz JSNNGACXMPIELU-KRWDZBQOSA-N 1 1 285.435 3.305 20 30 CGEDMO C[N@@H+]1CCN(CCCC(C)(C)C#N)[C@H](c2ccccc2)C1 ZINC000227841711 333289135 /nfs/dbraw/zinc/28/91/35/333289135.db2.gz JSNNGACXMPIELU-KRWDZBQOSA-N 1 1 285.435 3.305 20 30 CGEDMO C[N@H+]1CCN(CCCC(C)(C)C#N)[C@H](c2ccccc2)C1 ZINC000227841711 333289137 /nfs/dbraw/zinc/28/91/37/333289137.db2.gz JSNNGACXMPIELU-KRWDZBQOSA-N 1 1 285.435 3.305 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000250212512 333303511 /nfs/dbraw/zinc/30/35/11/333303511.db2.gz PGDCEWONMOLSMY-FUHWJXTLSA-N 1 1 298.430 3.065 20 30 CGEDMO C=CCCCN(C)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000076943730 334091663 /nfs/dbraw/zinc/09/16/63/334091663.db2.gz ROYQVTJRJWMSKZ-UHFFFAOYSA-N 1 1 295.471 3.249 20 30 CGEDMO CC/C=C\CC[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000342282070 335178896 /nfs/dbraw/zinc/17/88/96/335178896.db2.gz YCZRUYHLENRAOM-ARJAWSKDSA-N 1 1 297.446 3.422 20 30 CGEDMO C=C[C@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000548719781 334167253 /nfs/dbraw/zinc/16/72/53/334167253.db2.gz CPURKWMPKZEXTO-HNNXBMFYSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@H](CC)Cc1ccccc1 ZINC000246890755 334271312 /nfs/dbraw/zinc/27/13/12/334271312.db2.gz DTWQPKBTZXSHEU-SJORKVTESA-N 1 1 261.409 3.267 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCCO[C@@H](C(C)C)C2)c1 ZINC000552444262 334327920 /nfs/dbraw/zinc/32/79/20/334327920.db2.gz ZTLPKHMUVOERDD-GOSISDBHSA-N 1 1 289.419 3.498 20 30 CGEDMO COc1ccc(C[C@@H](C)C[N@@H+](C)CCCCC#N)cc1 ZINC000090617568 334364968 /nfs/dbraw/zinc/36/49/68/334364968.db2.gz IBWZDQNCBDNKLJ-OAHLLOKOSA-N 1 1 274.408 3.499 20 30 CGEDMO C[N@@H+](CCc1cccc(NC[C@H](C#N)CCC#N)c1)C1CC1 ZINC000576606752 335225807 /nfs/dbraw/zinc/22/58/07/335225807.db2.gz QCRAALYJJNBTHU-INIZCTEOSA-N 1 1 296.418 3.179 20 30 CGEDMO CCc1ccc([C@@H]2CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)cc1 ZINC000577520767 335364120 /nfs/dbraw/zinc/36/41/20/335364120.db2.gz TXCSANLDLBNTSI-GOSISDBHSA-N 1 1 293.414 3.449 20 30 CGEDMO CCCOc1c(Cl)cc(C[NH2+]C[C@H](C)C#N)cc1OC ZINC000183820953 335907594 /nfs/dbraw/zinc/90/75/94/335907594.db2.gz JBOXQGODPWNESZ-LLVKDONJSA-N 1 1 296.798 3.387 20 30 CGEDMO C=CCCCC[N@@H+]1CCN(C2CCC2)C[C@@H](C)C1 ZINC000581112865 336010024 /nfs/dbraw/zinc/01/00/24/336010024.db2.gz PABDWJJMCLAAPE-HNNXBMFYSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CCCCCN1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000581112865 336010026 /nfs/dbraw/zinc/01/00/26/336010026.db2.gz PABDWJJMCLAAPE-HNNXBMFYSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CCCCCN1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000581112865 336010027 /nfs/dbraw/zinc/01/00/27/336010027.db2.gz PABDWJJMCLAAPE-HNNXBMFYSA-N 1 1 250.430 3.149 20 30 CGEDMO CC[C@H]1[C@@H](C)CC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000384283526 336123409 /nfs/dbraw/zinc/12/34/09/336123409.db2.gz JCAKUEGJVHWMOO-YOEHRIQHSA-N 1 1 272.392 3.448 20 30 CGEDMO C[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000437899296 533718049 /nfs/dbraw/zinc/71/80/49/533718049.db2.gz CZZUKHPFHKQQJA-SNVBAGLBSA-N 1 1 266.291 3.144 20 30 CGEDMO C[C@H]1CC[C@@]2(CC[N@@H+](Cc3cnc4ccc(C#N)cn34)C2)C1 ZINC000368086552 533731087 /nfs/dbraw/zinc/73/10/87/533731087.db2.gz QNXACZFPALAVCL-KBXCAEBGSA-N 1 1 294.402 3.218 20 30 CGEDMO C[C@H]1CC[C@@]2(CC[N@@H+](CCOc3ccc(C#N)cc3)C2)C1 ZINC000359557955 533732230 /nfs/dbraw/zinc/73/22/30/533732230.db2.gz NXXQUNWJCCUQSO-MAUKXSAKSA-N 1 1 284.403 3.449 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1CCO[C@H](C)C1 ZINC000425367015 534081532 /nfs/dbraw/zinc/08/15/32/534081532.db2.gz RLHJRLRCSQEMPP-YCPHGPKFSA-N 1 1 272.392 3.366 20 30 CGEDMO Cc1noc([C@@H]2CCC[N@H+]2CCCCC(C)(C)C#N)n1 ZINC000353542779 534451834 /nfs/dbraw/zinc/45/18/34/534451834.db2.gz LLZVLTPQNRIPHE-ZDUSSCGKSA-N 1 1 276.384 3.235 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000263778306 534616772 /nfs/dbraw/zinc/61/67/72/534616772.db2.gz GJGCYQOEXOSUAR-CQSZACIVSA-N 1 1 292.448 3.043 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](Cc3ccncc3)C2)cc1F ZINC000365277128 534782725 /nfs/dbraw/zinc/78/27/25/534782725.db2.gz SWFWNZWIRGGZGC-MRXNPFEDSA-N 1 1 295.361 3.157 20 30 CGEDMO C[C@H]([N@@H+](C)CCOc1ccc(C#N)cc1)C(C)(C)C ZINC000055481889 524815276 /nfs/dbraw/zinc/81/52/76/524815276.db2.gz IYIATHRIUTWUNA-ZDUSSCGKSA-N 1 1 260.381 3.303 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1cccc(C(N)=O)c1 ZINC000352760372 526313960 /nfs/dbraw/zinc/31/39/60/526313960.db2.gz PBWFDAQNWCXWDQ-UHFFFAOYSA-N 1 1 294.398 3.016 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000350763059 526505873 /nfs/dbraw/zinc/50/58/73/526505873.db2.gz LDQXSTHKAXQFDS-QGZVFWFLSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C(C)CN(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000350763059 526505878 /nfs/dbraw/zinc/50/58/78/526505878.db2.gz LDQXSTHKAXQFDS-QGZVFWFLSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C(C)CN(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000350763059 526505883 /nfs/dbraw/zinc/50/58/83/526505883.db2.gz LDQXSTHKAXQFDS-QGZVFWFLSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@@H](C)c1ccccn1 ZINC000352796693 526561489 /nfs/dbraw/zinc/56/14/89/526561489.db2.gz VAVVYTJUWOYFCI-AWEZNQCLSA-N 1 1 286.375 3.306 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)c1ccccn1 ZINC000352796693 526561491 /nfs/dbraw/zinc/56/14/91/526561491.db2.gz VAVVYTJUWOYFCI-AWEZNQCLSA-N 1 1 286.375 3.306 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000347380533 526569612 /nfs/dbraw/zinc/56/96/12/526569612.db2.gz SFNIWMXAURZKNB-UONOGXRCSA-N 1 1 263.406 3.063 20 30 CGEDMO C=CCOCCC[N@@H+](CC=C)Cc1cccc(C#N)c1 ZINC000347960056 526747845 /nfs/dbraw/zinc/74/78/45/526747845.db2.gz DMASRBXTWSQGEO-UHFFFAOYSA-N 1 1 270.376 3.139 20 30 CGEDMO C=CCOCCC[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000347970858 526749566 /nfs/dbraw/zinc/74/95/66/526749566.db2.gz XLKYDEOFFUGJBX-HNNXBMFYSA-N 1 1 295.448 3.322 20 30 CGEDMO C=CCOCCC[N@H+]1CCC[C@@H]1c1nc2c([nH]1)CCCC2 ZINC000344903977 526754741 /nfs/dbraw/zinc/75/47/41/526754741.db2.gz ZSMKOJCKKDPMTN-MRXNPFEDSA-N 1 1 289.423 3.018 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000352740656 526933005 /nfs/dbraw/zinc/93/30/05/526933005.db2.gz YMEACMFJFVAGCC-CQSZACIVSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000352740656 526933013 /nfs/dbraw/zinc/93/30/13/526933013.db2.gz YMEACMFJFVAGCC-CQSZACIVSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CCCC[N@H+](CCC(=O)OC)Cc1ccc(F)c(F)c1 ZINC000344561238 527195206 /nfs/dbraw/zinc/19/52/06/527195206.db2.gz OQJYDWLVMKMXAE-UHFFFAOYSA-N 1 1 297.345 3.296 20 30 CGEDMO C=CCCC[N@@H+](CC(=O)N1CCCCCC1)C(C)C ZINC000353201424 527195553 /nfs/dbraw/zinc/19/55/53/527195553.db2.gz FQEWHKXLSAZGPW-UHFFFAOYSA-N 1 1 266.429 3.066 20 30 CGEDMO CCC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)CC(C)C ZINC000441282506 528154921 /nfs/dbraw/zinc/15/49/21/528154921.db2.gz VQLAQDJBJVOSHF-UHFFFAOYSA-N 1 1 298.390 3.476 20 30 CGEDMO CCC[N@H+]1CC[C@H](CN[C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000358581573 528262648 /nfs/dbraw/zinc/26/26/48/528262648.db2.gz YUYKZPJPWKCZER-DZGCQCFKSA-N 1 1 289.398 3.080 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1sccc1C#N)C1CC(C)(C)C1 ZINC000516852508 536307964 /nfs/dbraw/zinc/30/79/64/536307964.db2.gz SYWPMNSULRNGNA-UHFFFAOYSA-N 1 1 291.420 3.069 20 30 CGEDMO CC(C)n1ccc(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)n1 ZINC000738440402 572376091 /nfs/dbraw/zinc/37/60/91/572376091.db2.gz SJOUGMSUMSKPDG-CQSZACIVSA-N 1 1 298.390 3.045 20 30 CGEDMO C#CCCOc1ccc(C[NH2+]Cc2ccn(C(C)C)n2)cc1 ZINC000738439897 572376543 /nfs/dbraw/zinc/37/65/43/572376543.db2.gz QFPAFAKBTCMDCJ-UHFFFAOYSA-N 1 1 297.402 3.156 20 30 CGEDMO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(OCC#N)cc2)on1 ZINC000731211639 572401989 /nfs/dbraw/zinc/40/19/89/572401989.db2.gz RUIHKEJODQRXIE-INIZCTEOSA-N 1 1 297.358 3.223 20 30 CGEDMO C=CCCCCC[N@H+](C)CN1C[C@@H](C(C)C)CC1=O ZINC000739884638 572426151 /nfs/dbraw/zinc/42/61/51/572426151.db2.gz KEJLRSQTPMSNPT-HNNXBMFYSA-N 1 1 266.429 3.127 20 30 CGEDMO N#Cc1ccc(-c2cccc(C[NH2+]Cc3ncc[nH]3)c2)s1 ZINC000740013676 572428911 /nfs/dbraw/zinc/42/89/11/572428911.db2.gz INDDWHHWYONXGI-UHFFFAOYSA-N 1 1 294.383 3.300 20 30 CGEDMO C=C(C)COC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000732348136 572460615 /nfs/dbraw/zinc/46/06/15/572460615.db2.gz BRIRJMOEZQRJLF-OAHLLOKOSA-N 1 1 261.365 3.189 20 30 CGEDMO C[C@H]1C[N@@H+](C)CC1N=Nc1ccc(C(F)(F)F)cc1 ZINC000746578488 572881898 /nfs/dbraw/zinc/88/18/98/572881898.db2.gz NPALRDLTEURBDF-VIFPVBQESA-N 1 1 271.286 3.055 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](C)[C@@H]1CNC(=O)OC(C)(C)C ZINC000747967035 572956796 /nfs/dbraw/zinc/95/67/96/572956796.db2.gz HYYYHBDIDVUHCO-KGLIPLIRSA-N 1 1 282.428 3.188 20 30 CGEDMO C=C(Br)C[N@@H+]1CCSC(C)(C)CC1 ZINC000306196011 620205555 /nfs/dbraw/zinc/20/55/55/620205555.db2.gz LBWSCCDTVDRSEI-UHFFFAOYSA-N 1 1 264.232 3.113 20 30 CGEDMO C=C(Br)C[N@H+]1CCSC(C)(C)CC1 ZINC000306196011 620205558 /nfs/dbraw/zinc/20/55/58/620205558.db2.gz LBWSCCDTVDRSEI-UHFFFAOYSA-N 1 1 264.232 3.113 20 30 CGEDMO C#Cc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C(C)C)CC2)cc1 ZINC000948665275 613166100 /nfs/dbraw/zinc/16/61/00/613166100.db2.gz IXVHNAYCXQEJRM-GOSISDBHSA-N 1 1 298.430 3.003 20 30 CGEDMO C#Cc1ccc(C(=O)NC[C@H]2CCCCC[N@@H+]2CCC)cc1 ZINC000968976326 613180585 /nfs/dbraw/zinc/18/05/85/613180585.db2.gz BCAOPUVQKPHVRB-GOSISDBHSA-N 1 1 298.430 3.052 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)C(C)(C)C(=C)C)CC1 ZINC000981741030 613251103 /nfs/dbraw/zinc/25/11/03/613251103.db2.gz NMNNZMNSIRKGDF-UHFFFAOYSA-N 1 1 278.440 3.089 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)C2(C)CC2)CC1 ZINC000948396434 613256649 /nfs/dbraw/zinc/25/66/49/613256649.db2.gz AIRCTAUUTMJOFE-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)C(C)(C)F)CC1 ZINC000948142905 613256681 /nfs/dbraw/zinc/25/66/81/613256681.db2.gz SHYZYNAQHJOCOF-AWEZNQCLSA-N 1 1 284.419 3.014 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2(F)CCCC2)C[C@@H]1C ZINC000947468281 613265163 /nfs/dbraw/zinc/26/51/63/613265163.db2.gz IHHODABTIALBGY-LSDHHAIUSA-N 1 1 296.430 3.204 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CC2CCC2)C[C@H]1C ZINC000947165385 613266332 /nfs/dbraw/zinc/26/63/32/613266332.db2.gz FSFRQLREUBGCIP-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2CC(C)(C)C2)C[C@@H]1C ZINC000947278441 613270511 /nfs/dbraw/zinc/27/05/11/613270511.db2.gz ZCQDEGHGFPKJBN-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)C2CCC(C)(C)CC2)C1 ZINC000980508623 613283071 /nfs/dbraw/zinc/28/30/71/613283071.db2.gz SUIQWQCELJVJKT-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2cc(C)c(C)s2)C1 ZINC000980345695 613285913 /nfs/dbraw/zinc/28/59/13/613285913.db2.gz GBINMPKLPNHKSX-CQSZACIVSA-N 1 1 292.448 3.087 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC000971531996 613289705 /nfs/dbraw/zinc/28/97/05/613289705.db2.gz MXPMGMQVOVPVLI-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2cscc2Cl)C1 ZINC000971742649 613292150 /nfs/dbraw/zinc/29/21/50/613292150.db2.gz JPRIVPKMVNUGJY-NSHDSACASA-N 1 1 298.839 3.124 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)C2(CC)CCCC2)CC1 ZINC000983454269 613307886 /nfs/dbraw/zinc/30/78/86/613307886.db2.gz OVMKASFAKURISD-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)C2CCC3(CC3)CC2)CC1 ZINC000981628904 613307903 /nfs/dbraw/zinc/30/79/03/613307903.db2.gz YRYPBFBXCJRHIL-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCC)CC2)C1 ZINC000961323295 613313847 /nfs/dbraw/zinc/31/38/47/613313847.db2.gz TWZDXCRDVIQDHI-QGZVFWFLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccccc2C)C1 ZINC000964777700 613325773 /nfs/dbraw/zinc/32/57/73/613325773.db2.gz XEUAHYFNUOUSHO-NVXWUHKLSA-N 1 1 286.419 3.011 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2(C)CCCC2)C(C)(C)C1 ZINC000940926814 613326774 /nfs/dbraw/zinc/32/67/74/613326774.db2.gz YMNIOBLMWACJCY-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C23CCC(CC2)C3)C[C@H]1C ZINC000947450292 613326793 /nfs/dbraw/zinc/32/67/93/613326793.db2.gz RKBQSLLRPNNARD-JBCIKUTRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)CC2CC(C)(C)C2)[C@H](C)C1 ZINC000942577451 613327117 /nfs/dbraw/zinc/32/71/17/613327117.db2.gz KRXZRTJMOKAHGS-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C)cc2)[C@@H](C)C1 ZINC000944264180 613329485 /nfs/dbraw/zinc/32/94/85/613329485.db2.gz NCPBTDMOAJXYEY-DOTOQJQBSA-N 1 1 286.419 3.011 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C[C@H]1C ZINC000947949638 613335567 /nfs/dbraw/zinc/33/55/67/613335567.db2.gz YLSLQUGGVIOVOY-VQHPVUNQSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC=CCC2)C(C)(C)C1 ZINC000940556816 613335599 /nfs/dbraw/zinc/33/55/99/613335599.db2.gz FNRCMBZKSOGSNS-HOTGVXAUSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@@H](C)C1 ZINC000944225913 613335693 /nfs/dbraw/zinc/33/56/93/613335693.db2.gz FQZXHDJCOFZQLQ-QAETUUGQSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cc(C)cs2)[C@H](C)C1 ZINC000942030521 613335843 /nfs/dbraw/zinc/33/58/43/613335843.db2.gz YQVVDKGIERTPSX-KGLIPLIRSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C1CC(C)(C(=O)N(C)[C@@H]2CCC[N@H+](CC(C)C)CC2)C1 ZINC000948758336 613392915 /nfs/dbraw/zinc/39/29/15/613392915.db2.gz DKVFQNSNPLCZQO-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[N@H+](CCCC)C[C@@H]2C)CC1 ZINC000942599716 613412662 /nfs/dbraw/zinc/41/26/62/613412662.db2.gz DAFLJEGGLDCMLY-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[N@H+](CCC)[C@H](C)C2)CC1 ZINC000947686275 613412805 /nfs/dbraw/zinc/41/28/05/613412805.db2.gz WDMPWYDEKWZYKK-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC2(C1)CCC[N@H+](CCC(C)C)C2 ZINC000981932575 613429529 /nfs/dbraw/zinc/42/95/29/613429529.db2.gz BFGYPTKICNEWMR-UHFFFAOYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CCC ZINC000969023133 613490644 /nfs/dbraw/zinc/49/06/44/613490644.db2.gz NNWVTCGJAVUZOA-BRWVUGGUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)c2csc(Cl)c2)CC1 ZINC000982081213 613498953 /nfs/dbraw/zinc/49/89/53/613498953.db2.gz JWRVWYKBMZKYHD-UHFFFAOYSA-N 1 1 298.839 3.126 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCC)CC2)C1 ZINC000961321384 613499144 /nfs/dbraw/zinc/49/91/44/613499144.db2.gz NTJKFGGPMHQTIO-QGZVFWFLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=Cc1ccc(C(=O)N[C@@H]2C[N@H+](CC(=C)C)CC[C@@H]2C)cc1 ZINC000968339413 613515164 /nfs/dbraw/zinc/51/51/64/613515164.db2.gz GWFPOQNJQRNTBI-MAUKXSAKSA-N 1 1 298.430 3.346 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C2(C)CCCC2)C(C)(C)C1 ZINC000940926896 613519152 /nfs/dbraw/zinc/51/91/52/613519152.db2.gz ZGFVJXOGFDKSBQ-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C=C)cc2)C[C@@H]1C ZINC000947734775 613523771 /nfs/dbraw/zinc/52/37/71/613523771.db2.gz FTBVXYXTMLZMMF-MAUKXSAKSA-N 1 1 298.430 3.488 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)c2cccc(C)c2)[C@@H](C)C1 ZINC000941776809 613524664 /nfs/dbraw/zinc/52/46/64/613524664.db2.gz LMAURNNOBBDAQC-DOTOQJQBSA-N 1 1 286.419 3.011 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccsc2C)C1 ZINC000966004104 613532431 /nfs/dbraw/zinc/53/24/31/613532431.db2.gz NLXDSEASOLZYPN-SWLSCSKDSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)C2CCC=CCC2)[C@H](C)C1 ZINC000944994690 613535078 /nfs/dbraw/zinc/53/50/78/613535078.db2.gz NJZKASNLOKZGAR-WBVHZDCISA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2CCC=CCC2)C[C@@H]1C ZINC000948047611 613535162 /nfs/dbraw/zinc/53/51/62/613535162.db2.gz HZPXCSMRXYIVKH-RDJZCZTQSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C=C)cc2)C[C@H]1C ZINC000947734776 613538429 /nfs/dbraw/zinc/53/84/29/613538429.db2.gz FTBVXYXTMLZMMF-QAPCUYQASA-N 1 1 298.430 3.488 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C)C[C@H]1C ZINC000947010565 613539361 /nfs/dbraw/zinc/53/93/61/613539361.db2.gz YIGFNEXOEIRMKF-CVEARBPZSA-N 1 1 286.419 3.154 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975024930 613544904 /nfs/dbraw/zinc/54/49/04/613544904.db2.gz HPPKXFLYQBAWFF-LSDHHAIUSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2ccc(C=C)cc2)C(C)(C)C1 ZINC000975063220 613546054 /nfs/dbraw/zinc/54/60/54/613546054.db2.gz HPEPYNKROKLMDP-QGZVFWFLSA-N 1 1 298.430 3.346 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC000980565992 613628945 /nfs/dbraw/zinc/62/89/45/613628945.db2.gz GVDFKVDMGWOMHH-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1occc1Cl ZINC000969013818 613685582 /nfs/dbraw/zinc/68/55/82/613685582.db2.gz HBFRYUQTHHYMGK-GFCCVEGCSA-N 1 1 296.798 3.093 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccc(F)s1 ZINC000969160441 613687232 /nfs/dbraw/zinc/68/72/32/613687232.db2.gz CEOBIHIJTZFMMW-LBPRGKRZSA-N 1 1 296.411 3.048 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)CC2=CCCCC2)CC1 ZINC000948249426 613700482 /nfs/dbraw/zinc/70/04/82/613700482.db2.gz ROPLCBCLGCLOFT-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc3occc3c2)C1 ZINC000966300048 613730145 /nfs/dbraw/zinc/73/01/45/613730145.db2.gz QVWCFADLWBVYFX-CJNGLKHVSA-N 1 1 298.386 3.059 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC)cc2)C[C@H]1C ZINC000947994644 613752620 /nfs/dbraw/zinc/75/26/20/613752620.db2.gz QEOLMRSRRISMAK-RHSMWYFYSA-N 1 1 286.419 3.018 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C(C)=C2CCCC2)C[C@@H]1C ZINC000947191788 613779499 /nfs/dbraw/zinc/77/94/99/613779499.db2.gz XYSJDAQOFZIVRK-BBRMVZONSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)C2CCCCCCC2)[C@H](C)C1 ZINC000942431823 613780578 /nfs/dbraw/zinc/78/05/78/613780578.db2.gz NMMWPMIAVDAXDY-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)C[C@H]2C=CCCC2)C(C)(C)C1 ZINC000940835809 613781590 /nfs/dbraw/zinc/78/15/90/613781590.db2.gz DMHGBCMNSGXZPS-HOTGVXAUSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)[C@]2(C)CC=C(C)CC2)C(C)(C)C1 ZINC000977635197 613828209 /nfs/dbraw/zinc/82/82/09/613828209.db2.gz ZKLHIEAAJJJQQY-MAUKXSAKSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2ccc(Cl)s2)C(C)(C)C1 ZINC000977582538 613828581 /nfs/dbraw/zinc/82/85/81/613828581.db2.gz FUIXQAPKYUMBRY-NSHDSACASA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)c2ccc(Cl)s2)C(C)(C)C1 ZINC000977582538 613828583 /nfs/dbraw/zinc/82/85/83/613828583.db2.gz FUIXQAPKYUMBRY-NSHDSACASA-N 1 1 298.839 3.028 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(Cc2ccc(F)cc2)no1 ZINC000899994062 620742447 /nfs/dbraw/zinc/74/24/47/620742447.db2.gz RTTIOMZSMQWQBJ-ZDUSSCGKSA-N 1 1 275.327 3.156 20 30 CGEDMO CCCCCCCC[C@H]([NH3+])c1nc(-c2ncccn2)no1 ZINC000899997759 620744015 /nfs/dbraw/zinc/74/40/15/620744015.db2.gz GISQHNDVRDITQU-LBPRGKRZSA-N 1 1 289.383 3.277 20 30 CGEDMO CCCCCCCC[C@@H]([NH3+])c1nc(-c2cnn(C)c2)no1 ZINC000899997740 620744052 /nfs/dbraw/zinc/74/40/52/620744052.db2.gz FRAANQHWSBBHRD-CYBMUJFWSA-N 1 1 291.399 3.221 20 30 CGEDMO CC#CC[N@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175864399 618000751 /nfs/dbraw/zinc/00/07/51/618000751.db2.gz DCWBXNNDUWBWCJ-CABCVRRESA-N 1 1 277.433 3.440 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CCCC2)C1 ZINC001021492227 618012573 /nfs/dbraw/zinc/01/25/73/618012573.db2.gz HPZWGWUVDYDOJF-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC(C)C)C1 ZINC001021505113 618015338 /nfs/dbraw/zinc/01/53/38/618015338.db2.gz IMVQHIHJRUCHQI-HUUCEWRRSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC(C)C)C1 ZINC001021505113 618015342 /nfs/dbraw/zinc/01/53/42/618015342.db2.gz IMVQHIHJRUCHQI-HUUCEWRRSA-N 1 1 298.858 3.098 20 30 CGEDMO C[N@@H+](CCc1ccc(F)cc1)Cc1csc(C#N)c1 ZINC000891742754 618270503 /nfs/dbraw/zinc/27/05/03/618270503.db2.gz DTDRDNNSDXNAMS-UHFFFAOYSA-N 1 1 274.364 3.433 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCCSC[C@H]1C1CC1 ZINC000933918350 618376265 /nfs/dbraw/zinc/37/62/65/618376265.db2.gz SKUPIENJCGBHDB-KRWDZBQOSA-N 1 1 271.429 3.256 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1ccc(C(=O)OC)c(Cl)c1 ZINC000934458791 618622956 /nfs/dbraw/zinc/62/29/56/618622956.db2.gz DLYVDVNVALVTOY-GFCCVEGCSA-N 1 1 279.767 3.277 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1cc(C#N)ccc1Br ZINC000934462968 618624775 /nfs/dbraw/zinc/62/47/75/618624775.db2.gz VOEOGEGXYKXYMY-CYBMUJFWSA-N 1 1 291.192 3.471 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000934462968 618624779 /nfs/dbraw/zinc/62/47/79/618624779.db2.gz VOEOGEGXYKXYMY-CYBMUJFWSA-N 1 1 291.192 3.471 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1C[C@@H](O)c1cccc(Cl)c1 ZINC000934468781 618626012 /nfs/dbraw/zinc/62/60/12/618626012.db2.gz JFHJHXWRXVWKRR-ZIAGYGMSSA-N 1 1 251.757 3.024 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1cc(C(C)=O)ccc1OCC ZINC000934472864 618628283 /nfs/dbraw/zinc/62/82/83/618628283.db2.gz QXDPCDLDMGTJEX-MRXNPFEDSA-N 1 1 273.376 3.438 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1cc(C(C)=O)ccc1OCC ZINC000934472864 618628284 /nfs/dbraw/zinc/62/82/84/618628284.db2.gz QXDPCDLDMGTJEX-MRXNPFEDSA-N 1 1 273.376 3.438 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1ccccc1SC ZINC000934473546 618628576 /nfs/dbraw/zinc/62/85/76/618628576.db2.gz XBMFXOKBNCDEFG-STQMWFEESA-N 1 1 290.432 3.386 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1ccccc1SC ZINC000934473546 618628577 /nfs/dbraw/zinc/62/85/77/618628577.db2.gz XBMFXOKBNCDEFG-STQMWFEESA-N 1 1 290.432 3.386 20 30 CGEDMO CCc1nc(C)c(C[NH2+][C@@H](CC)c2cccc(C#N)c2O)o1 ZINC000926476624 618703777 /nfs/dbraw/zinc/70/37/77/618703777.db2.gz BCWLKCXDYUCLCK-AWEZNQCLSA-N 1 1 299.374 3.364 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1occc1Br)C(C)(C)C ZINC000309071429 618761640 /nfs/dbraw/zinc/76/16/40/618761640.db2.gz DOVBOTFALRTSPP-LLVKDONJSA-N 1 1 270.170 3.180 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000177009639 618771767 /nfs/dbraw/zinc/77/17/67/618771767.db2.gz HEYQKUFGIIFEDZ-GJZGRUSLSA-N 1 1 289.485 3.244 20 30 CGEDMO CC[N@@H+](Cc1ccc(N(C)CCC#N)cc1)C[C@@H](C)C#N ZINC000091983666 618804531 /nfs/dbraw/zinc/80/45/31/618804531.db2.gz LQYQGNNSMJYDOD-HNNXBMFYSA-N 1 1 284.407 3.018 20 30 CGEDMO CC[N@H+](Cc1ccc(N(C)CCC#N)cc1)C[C@@H](C)C#N ZINC000091983666 618804533 /nfs/dbraw/zinc/80/45/33/618804533.db2.gz LQYQGNNSMJYDOD-HNNXBMFYSA-N 1 1 284.407 3.018 20 30 CGEDMO CCO[C@@H](C)c1nc(CO[NH+]=C(N)C2CCCC2)cs1 ZINC000172582841 618937280 /nfs/dbraw/zinc/93/72/80/618937280.db2.gz HPBHZUGYXVKICJ-JTQLQIEISA-N 1 1 297.424 3.220 20 30 CGEDMO Cc1cccc(C[N@H+](CCC#N)CCC(C)C)c1O ZINC000180059233 619012217 /nfs/dbraw/zinc/01/22/17/619012217.db2.gz CBYYDPQTDNCNRQ-UHFFFAOYSA-N 1 1 260.381 3.462 20 30 CGEDMO CC(C)(C)OC(=O)C1(CC[N@@H+]2CC[C@@](C)(C#N)C2)CCC1 ZINC000931062542 619108094 /nfs/dbraw/zinc/10/80/94/619108094.db2.gz KTOZBAWJFFCZBA-INIZCTEOSA-N 1 1 292.423 3.124 20 30 CGEDMO CC(C)(C)OC(=O)C1(CC[N@H+]2CC[C@@](C)(C#N)C2)CCC1 ZINC000931062542 619108096 /nfs/dbraw/zinc/10/80/96/619108096.db2.gz KTOZBAWJFFCZBA-INIZCTEOSA-N 1 1 292.423 3.124 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cn(C)nc1C1CC1 ZINC000893419860 619170261 /nfs/dbraw/zinc/17/02/61/619170261.db2.gz IGQZSYYNBXRMGO-UHFFFAOYSA-N 1 1 285.391 3.121 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC)cc2)C1 ZINC001009385154 619174232 /nfs/dbraw/zinc/17/42/32/619174232.db2.gz RUVXFOPUNBENJM-QGZVFWFLSA-N 1 1 286.419 3.019 20 30 CGEDMO COc1ccc(C[N@@H+]2CCC[C@](C)(C#N)C2)c(C)c1 ZINC000893526788 619204001 /nfs/dbraw/zinc/20/40/01/619204001.db2.gz LCDYXQPTFTUEDT-MRXNPFEDSA-N 1 1 258.365 3.129 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@](C)(C#N)C2)c(C)c1 ZINC000893526788 619204004 /nfs/dbraw/zinc/20/40/04/619204004.db2.gz LCDYXQPTFTUEDT-MRXNPFEDSA-N 1 1 258.365 3.129 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CCS[C@@H](C)CC2)cc1 ZINC000190696499 619209378 /nfs/dbraw/zinc/20/93/78/619209378.db2.gz GPBAAZLOBAMEAS-HNNXBMFYSA-N 1 1 289.444 3.416 20 30 CGEDMO C#CC[C@H]1CC[N@H+](C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC000931715326 619242742 /nfs/dbraw/zinc/24/27/42/619242742.db2.gz SQMNMFTUZPQIKE-BPUTZDHNSA-N 1 1 275.342 3.381 20 30 CGEDMO C=CCC[N@H+](C)Cc1cnc(CC(F)(F)F)s1 ZINC000893929556 619334703 /nfs/dbraw/zinc/33/47/03/619334703.db2.gz JAUYFYZQOFLXHL-UHFFFAOYSA-N 1 1 264.316 3.256 20 30 CGEDMO CC1(C)C[C@@H](C[N@H+]2CCC[C@](C)(C#N)C2)C(C)(C)O1 ZINC000878406524 619424799 /nfs/dbraw/zinc/42/47/99/619424799.db2.gz XJYXLRQHHHJJKI-XJKSGUPXSA-N 1 1 264.413 3.206 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccnn1C1CCC1 ZINC000924978911 619472756 /nfs/dbraw/zinc/47/27/56/619472756.db2.gz IVXHBGKGDAAGPB-LBPRGKRZSA-N 1 1 298.365 3.470 20 30 CGEDMO N#CCCc1ccc(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)cc1 ZINC000928399560 619515503 /nfs/dbraw/zinc/51/55/03/619515503.db2.gz RKQDMNOCLUTHCD-SJORKVTESA-N 1 1 297.402 3.098 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@H]2c2cccnc2)cs1 ZINC000894449722 619538090 /nfs/dbraw/zinc/53/80/90/619538090.db2.gz OSGMGJNUXQSXLX-HNNXBMFYSA-N 1 1 269.373 3.352 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@H]2c2cccnc2)cs1 ZINC000894449722 619538095 /nfs/dbraw/zinc/53/80/95/619538095.db2.gz OSGMGJNUXQSXLX-HNNXBMFYSA-N 1 1 269.373 3.352 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@]3(CCSC3)C2)cs1 ZINC000894773699 619627931 /nfs/dbraw/zinc/62/79/31/619627931.db2.gz WIDKMRHJIYYEMK-CQSZACIVSA-N 1 1 278.446 3.339 20 30 CGEDMO CCCCCCCCC[NH+]1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000792220885 619631578 /nfs/dbraw/zinc/63/15/78/619631578.db2.gz WAFDWWATAQNCIM-QZTJIDSGSA-N 1 1 296.499 3.268 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cn(C)nc2C2CC2)C1 ZINC000895339011 619807449 /nfs/dbraw/zinc/80/74/49/619807449.db2.gz XMLUYZBTFZDKFD-ZDUSSCGKSA-N 1 1 259.397 3.086 20 30 CGEDMO COCCCO[NH+]=Cc1c(Cl)cccc1N1CCCC1 ZINC000795044078 619808033 /nfs/dbraw/zinc/80/80/33/619808033.db2.gz JTFGYNZICCZTQT-UHFFFAOYSA-N 1 1 296.798 3.327 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(OC)c(OC)c2F)C1 ZINC000895390129 619819755 /nfs/dbraw/zinc/81/97/55/619819755.db2.gz RRUBAMUEQFRMJX-LBPRGKRZSA-N 1 1 279.355 3.241 20 30 CGEDMO Cc1cc(F)ncc1C[NH2+]CC1(C#N)CCCCC1 ZINC000895405104 619821808 /nfs/dbraw/zinc/82/18/08/619821808.db2.gz WVLAAHSLMHFERI-UHFFFAOYSA-N 1 1 261.344 3.093 20 30 CGEDMO C#CCC1(O)CC[NH+](Cc2c(F)cc(C)cc2Cl)CC1 ZINC000895671061 619869478 /nfs/dbraw/zinc/86/94/78/619869478.db2.gz ZLZUJJGJACFQDS-UHFFFAOYSA-N 1 1 295.785 3.138 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000895848214 619896771 /nfs/dbraw/zinc/89/67/71/619896771.db2.gz YHQSIOBHBDIXIV-WMZOPIPTSA-N 1 1 287.403 3.252 20 30 CGEDMO C[C@@]1(C[N@H+]2CCC[C@H](C#N)C2)C[C@H]1c1ccccc1 ZINC000896507182 620019953 /nfs/dbraw/zinc/01/99/53/620019953.db2.gz ZCPPLHWFJUUNBD-PVAVHDDUSA-N 1 1 254.377 3.416 20 30 CGEDMO C#Cc1cncc(-c2noc([C@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)n2)c1 ZINC000896560288 620027129 /nfs/dbraw/zinc/02/71/29/620027129.db2.gz OMPKSMHARQTVDS-XQQFMLRXSA-N 1 1 296.374 3.047 20 30 CGEDMO C#CC[N@@H+](CC[C@H]1CCCCO1)Cc1ccccc1 ZINC000796639334 620118383 /nfs/dbraw/zinc/11/83/83/620118383.db2.gz AUWYBEYGNMKCGY-QGZVFWFLSA-N 1 1 257.377 3.081 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)C2CCCCCC2)CC1 ZINC000985312719 620167337 /nfs/dbraw/zinc/16/73/37/620167337.db2.gz RRNMMVDABJSBRW-UHFFFAOYSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)C(C)(C)C(C)C)CC1 ZINC000985446541 620191148 /nfs/dbraw/zinc/19/11/48/620191148.db2.gz HPLUBLSWGWNOFM-UHFFFAOYSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2CCCC[C@@H]2C)CC1 ZINC000985614751 620221925 /nfs/dbraw/zinc/22/19/25/620221925.db2.gz SUJCTCQVWQYTDN-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC([N@@H+](C)CC(=C)Cl)CC1 ZINC000985620424 620222169 /nfs/dbraw/zinc/22/21/69/620222169.db2.gz ZAPTUHALRABDNJ-INIZCTEOSA-N 1 1 298.858 3.264 20 30 CGEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@H]2CC[C@H](C)C2)CC1 ZINC000985689532 620229400 /nfs/dbraw/zinc/22/94/00/620229400.db2.gz RPLOUZYJUOOYBW-JSGCOSHPSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@@]2(C)CC)CC1 ZINC000985727366 620232678 /nfs/dbraw/zinc/23/26/78/620232678.db2.gz MTJGKLFMJDAMRJ-GOEBONIOSA-N 1 1 298.858 3.098 20 30 CGEDMO C[N@@H+](CCCOc1ccc(C#N)cc1)CCC1CC1 ZINC000179243528 620375198 /nfs/dbraw/zinc/37/51/98/620375198.db2.gz HZBQMIPSBDTVFI-UHFFFAOYSA-N 1 1 258.365 3.059 20 30 CGEDMO NC(=[NH+]OCCCCCCO)C12CC3CC(CC(C3)C1)C2 ZINC000179255600 620375471 /nfs/dbraw/zinc/37/54/71/620375471.db2.gz FMEXQDVGVNQFIT-UHFFFAOYSA-N 1 1 294.439 3.044 20 30 CGEDMO CC(C)(C)c1coc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)n1 ZINC000897945022 620453492 /nfs/dbraw/zinc/45/34/92/620453492.db2.gz WJMWJGANINSCEI-VXGBXAGGSA-N 1 1 261.369 3.144 20 30 CGEDMO CCOc1ccc(CC[N@@H+](C)C[C@@H](C)CCC#N)cc1 ZINC000898346807 620512912 /nfs/dbraw/zinc/51/29/12/620512912.db2.gz FPWZNIOAXLJTMA-HNNXBMFYSA-N 1 1 274.408 3.499 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000898784387 620604715 /nfs/dbraw/zinc/60/47/15/620604715.db2.gz YUQMIYXFNUWNCQ-INIZCTEOSA-N 1 1 290.451 3.256 20 30 CGEDMO CC[C@H]([NH2+][C@H](C)Cc1cc(C)[nH]n1)c1cccc(C#N)c1 ZINC000902880127 621481825 /nfs/dbraw/zinc/48/18/25/621481825.db2.gz DAALZYSQDZMQAN-PXAZEXFGSA-N 1 1 282.391 3.262 20 30 CGEDMO C[C@@H]([NH2+]Cc1cnccc1C(C)(C)C)c1cc(C#N)ccn1 ZINC000903020025 621532228 /nfs/dbraw/zinc/53/22/28/621532228.db2.gz UZWVHWPYWNMKMG-CYBMUJFWSA-N 1 1 294.402 3.497 20 30 CGEDMO Cc1c([C@H](C)[NH2+]CC2(C#N)CCC2)cccc1[N+](=O)[O-] ZINC000903031103 621535473 /nfs/dbraw/zinc/53/54/73/621535473.db2.gz IABXXJRZCNFYQH-LBPRGKRZSA-N 1 1 273.336 3.248 20 30 CGEDMO CC[C@H]([NH2+]CC1(C#N)CCC1)c1ccc(F)cc1O ZINC000903035920 621537622 /nfs/dbraw/zinc/53/76/22/621537622.db2.gz WIQXERXJMIBWBA-ZDUSSCGKSA-N 1 1 262.328 3.266 20 30 CGEDMO Cc1ncc([C@@H](C)[NH2+][C@@H](C)c2cc(C#N)ccn2)s1 ZINC000903077449 621559442 /nfs/dbraw/zinc/55/94/42/621559442.db2.gz JLKWGJFPHHUHCG-VHSXEESVSA-N 1 1 272.377 3.130 20 30 CGEDMO Cc1ncc([C@H](C)[NH2+][C@@H](C)c2cc(C#N)ccn2)s1 ZINC000903077448 621560011 /nfs/dbraw/zinc/56/00/11/621560011.db2.gz JLKWGJFPHHUHCG-UWVGGRQHSA-N 1 1 272.377 3.130 20 30 CGEDMO C[C@H]([NH2+]CC(C)(C)C#N)c1cc(F)c(F)c(F)c1 ZINC000903100182 621573014 /nfs/dbraw/zinc/57/30/14/621573014.db2.gz JHBKEOLRGWACQU-QMMMGPOBSA-N 1 1 256.271 3.304 20 30 CGEDMO CC(C)(C#N)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000903099980 621573044 /nfs/dbraw/zinc/57/30/44/621573044.db2.gz DYNMZNRTCJAKFN-BCDXTJNWSA-N 1 1 297.446 3.321 20 30 CGEDMO N#CC1(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000903105505 621578504 /nfs/dbraw/zinc/57/85/04/621578504.db2.gz CZTFSKFNCGJQSR-AWEZNQCLSA-N 1 1 268.360 3.326 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CCCC1)c1ccnc(Cl)c1 ZINC000903109224 621583012 /nfs/dbraw/zinc/58/30/12/621583012.db2.gz ZQCIDGCYLUYXEJ-NSHDSACASA-N 1 1 263.772 3.470 20 30 CGEDMO CC[C@H]([NH2+]Cc1cc(N(C)C)ccn1)c1cccc(C#N)c1 ZINC000903197542 621622868 /nfs/dbraw/zinc/62/28/68/621622868.db2.gz QKCVZLCTYXSVGI-SFHVURJKSA-N 1 1 294.402 3.260 20 30 CGEDMO CC[N@H+]1CC[C@@H](Nc2ccc(CCC#N)cc2)[C@H](C)C1 ZINC000903298566 621666624 /nfs/dbraw/zinc/66/66/24/621666624.db2.gz XCTSENKFGPYDHN-RHSMWYFYSA-N 1 1 271.408 3.285 20 30 CGEDMO C[C@@H]([NH2+][C@@H](c1ccccn1)C1CC1)c1cc(C#N)ccn1 ZINC000903335702 621692382 /nfs/dbraw/zinc/69/23/82/621692382.db2.gz SBVRMPJDAFFCLD-SJKOYZFVSA-N 1 1 278.359 3.150 20 30 CGEDMO C[C@H]([NH2+][C@@H](c1ncccn1)C1CC1)c1cccc(C#N)c1 ZINC000903327197 621701133 /nfs/dbraw/zinc/70/11/33/621701133.db2.gz QXDMATWCXSNKBT-BLLLJJGKSA-N 1 1 278.359 3.150 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccc(OC)c(C)c2)no1 ZINC000904594529 621941883 /nfs/dbraw/zinc/94/18/83/621941883.db2.gz ATTQRRNOQKUFSD-CYBMUJFWSA-N 1 1 287.363 3.410 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccc(SC)cn2)no1 ZINC000904735104 621968831 /nfs/dbraw/zinc/96/88/31/621968831.db2.gz FSRWQHUDMUWMAG-LLVKDONJSA-N 1 1 290.392 3.210 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)C[C@@H]3C=CCCC3)CCC[C@@H]12 ZINC000991333731 622537558 /nfs/dbraw/zinc/53/75/58/622537558.db2.gz SAPWJPYQGTUZEM-JFIYKMOQSA-N 1 1 288.435 3.032 20 30 CGEDMO C=CCc1cc(C[N@@H+](C)C2CCC2)c(O)c(OC)c1 ZINC000164411181 622834820 /nfs/dbraw/zinc/83/48/20/622834820.db2.gz LBSJIVKRZIFKQN-UHFFFAOYSA-N 1 1 261.365 3.114 20 30 CGEDMO CCCCCCCC[N@H+]1CCCN(C(=O)CC)CC1 ZINC000157615502 622914843 /nfs/dbraw/zinc/91/48/43/622914843.db2.gz JZSIOLLYPWVHLV-UHFFFAOYSA-N 1 1 268.445 3.291 20 30 CGEDMO C#C[C@@H](CC)[NH2+]Cc1ccc(F)cc1Br ZINC000229897079 623175117 /nfs/dbraw/zinc/17/51/17/623175117.db2.gz UMULTIAYOXGIGE-NSHDSACASA-N 1 1 270.145 3.090 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)C3CCC(=C)CC3)CCC[C@H]12 ZINC000992151154 623450821 /nfs/dbraw/zinc/45/08/21/623450821.db2.gz KIFBKJLZUBDAIN-WMZOPIPTSA-N 1 1 288.435 3.032 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3ccccc3CC)CCC[C@H]12 ZINC000992159883 623454890 /nfs/dbraw/zinc/45/48/90/623454890.db2.gz MSQNEDDHLYOOCT-HKUYNNGSSA-N 1 1 298.430 3.162 20 30 CGEDMO C#CC[N@H+](C[C@H](O)CCc1ccccc1)C1CCCCC1 ZINC000754015921 623751872 /nfs/dbraw/zinc/75/18/72/623751872.db2.gz ZAFURBYUJTUJPT-LJQANCHMSA-N 1 1 285.431 3.248 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C2CCCC2)[C@H]1C ZINC000992945637 623755761 /nfs/dbraw/zinc/75/57/61/623755761.db2.gz MZSPGKQCKKLXLT-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2sccc2C)[C@@H]1C ZINC000992980017 623767605 /nfs/dbraw/zinc/76/76/05/623767605.db2.gz HSYCWWBYIPFMSS-KBPBESRZSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C=C2CCCCC2)[C@@H]1C ZINC000993083518 623827967 /nfs/dbraw/zinc/82/79/67/623827967.db2.gz UOLXZIUGITVFAB-HOCLYGCPSA-N 1 1 276.424 3.032 20 30 CGEDMO C[C@H]1CCC[N@H+](C(C)(C)CNCc2csc(C#N)c2)C1 ZINC000921583589 625691544 /nfs/dbraw/zinc/69/15/44/625691544.db2.gz XUIFLRCMWJZJSV-ZDUSSCGKSA-N 1 1 291.464 3.220 20 30 CGEDMO C[C@H]1CCCN(C(C)(C)C[NH2+]Cc2csc(C#N)c2)C1 ZINC000921583589 625691550 /nfs/dbraw/zinc/69/15/50/625691550.db2.gz XUIFLRCMWJZJSV-ZDUSSCGKSA-N 1 1 291.464 3.220 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C2(C3CC3)CCC2)[C@H]1C ZINC000993651917 624055637 /nfs/dbraw/zinc/05/56/37/624055637.db2.gz AMVJSBOQOIOSMN-GDBMZVCRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C2(C)CCCC2)[C@H]1C ZINC000993618406 624055768 /nfs/dbraw/zinc/05/57/68/624055768.db2.gz ADMYZFZUUNWDJQ-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)c2ccsc2)C1 ZINC001015691145 624067803 /nfs/dbraw/zinc/06/78/03/624067803.db2.gz YVDAFNPDWQZQEV-HIFRSBDPSA-N 1 1 292.448 3.008 20 30 CGEDMO C=CC[N@@H+](C[C@H](O)COc1c(C)ccc(C)c1C)C(C)C ZINC000917069083 624232993 /nfs/dbraw/zinc/23/29/93/624232993.db2.gz GVQZRHKFRYTNNN-KRWDZBQOSA-N 1 1 291.435 3.248 20 30 CGEDMO C#CC[N@@H+](C[C@H]1CCCCO1)[C@H]1CCc2ccccc21 ZINC000917117232 624242648 /nfs/dbraw/zinc/24/26/48/624242648.db2.gz GDRHPIYRAPJZSK-AEFFLSMTSA-N 1 1 269.388 3.178 20 30 CGEDMO C=CCNC(=O)C[N@@H+](CCCC(C)C)Cc1ccc(C)o1 ZINC000919673396 624415920 /nfs/dbraw/zinc/41/59/20/624415920.db2.gz RKECVTJGJXIJHB-UHFFFAOYSA-N 1 1 292.423 3.128 20 30 CGEDMO C=CCNC(=O)C[N@H+](CCCC(C)C)Cc1ccc(C)o1 ZINC000919673396 624415926 /nfs/dbraw/zinc/41/59/26/624415926.db2.gz RKECVTJGJXIJHB-UHFFFAOYSA-N 1 1 292.423 3.128 20 30 CGEDMO CCCCCCCCCNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000920813595 624543886 /nfs/dbraw/zinc/54/38/86/624543886.db2.gz XMPRZHAHMVYZDX-HNNXBMFYSA-N 1 1 283.460 3.130 20 30 CGEDMO COc1cc(CO[NH+]=C(N)CC(C)C)ccc1SC ZINC000068775185 624756886 /nfs/dbraw/zinc/75/68/86/624756886.db2.gz CYUXICFGDWVAGD-UHFFFAOYSA-N 1 1 282.409 3.252 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000181247080 624832737 /nfs/dbraw/zinc/83/27/37/624832737.db2.gz NQZWNZSCOHEAFX-UHFFFAOYSA-N 1 1 283.371 3.290 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cc(=O)oc2cc(CC)ccc12 ZINC000181259084 624834698 /nfs/dbraw/zinc/83/46/98/624834698.db2.gz PVKKPCHFEAGWRA-UHFFFAOYSA-N 1 1 271.360 3.363 20 30 CGEDMO Cc1csc(C(C)(C)[NH2+]Cc2csc(C#N)c2)n1 ZINC000921747923 625862419 /nfs/dbraw/zinc/86/24/19/625862419.db2.gz FWKPYSGTFFGKGJ-UHFFFAOYSA-N 1 1 277.418 3.410 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H](C)C2)CC1 ZINC001001907575 625904320 /nfs/dbraw/zinc/90/43/20/625904320.db2.gz HLKZTRXCDPERFD-SWLSCSKDSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2C[C@@]2(C)CC)CC1 ZINC001001991690 625906611 /nfs/dbraw/zinc/90/66/11/625906611.db2.gz GAFZJSCCKKANPO-GOEBONIOSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)CC2CC(C)(C)C2)CC1 ZINC001003483127 625981643 /nfs/dbraw/zinc/98/16/43/625981643.db2.gz LDHKMYDGDBYVMD-UHFFFAOYSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC001003575322 625983829 /nfs/dbraw/zinc/98/38/29/625983829.db2.gz XISLUQVICCJNAA-CYBMUJFWSA-N 1 1 298.858 3.146 20 30 CGEDMO C[N@H+]1CCCC[C@H]1CCC(=O)OCC1CCC(C#N)CC1 ZINC000922727155 626037792 /nfs/dbraw/zinc/03/77/92/626037792.db2.gz NIPBKCOTHFLMIA-GPANFISMSA-N 1 1 292.423 3.124 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C)CC)CC1 ZINC001004335637 626040139 /nfs/dbraw/zinc/04/01/39/626040139.db2.gz DAUHEJHKWGILIA-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO CCc1[nH]nc(Cl)c1C[NH2+]Cc1ccc(C)c(C#N)c1 ZINC000922760242 626043205 /nfs/dbraw/zinc/04/32/05/626043205.db2.gz QBUAGGPDNXKWBY-UHFFFAOYSA-N 1 1 288.782 3.095 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC2CCC2)CC1 ZINC001004381312 626046183 /nfs/dbraw/zinc/04/61/83/626046183.db2.gz REKJUAOJUPGTCN-KRWDZBQOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000839088247 626312567 /nfs/dbraw/zinc/31/25/67/626312567.db2.gz AYMCSDZYSQWBSC-UONOGXRCSA-N 1 1 282.428 3.045 20 30 CGEDMO C#CCCC[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000839149904 626317664 /nfs/dbraw/zinc/31/76/64/626317664.db2.gz UADZPQHEUYXXBQ-CYBMUJFWSA-N 1 1 289.341 3.081 20 30 CGEDMO CCCCCCNC(=O)[C@@H]1CCC[N@H+]([C@@H](C)CCC#N)C1 ZINC000839475682 626354855 /nfs/dbraw/zinc/35/48/55/626354855.db2.gz DKSCQDJHAWMBEU-JKSUJKDBSA-N 1 1 293.455 3.087 20 30 CGEDMO CC[N@@H+](C[C@@H](O)c1ccc(C)cc1)[C@H](C)CCC#N ZINC000839498222 626356655 /nfs/dbraw/zinc/35/66/55/626356655.db2.gz HJFYIIVODYVVPS-GDBMZVCRSA-N 1 1 260.381 3.043 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC1N=Nc1ccccn1 ZINC000751520393 626393930 /nfs/dbraw/zinc/39/39/30/626393930.db2.gz DMMHIEKVIBBVCV-AWEZNQCLSA-N 1 1 280.375 3.001 20 30 CGEDMO C[C@@H]1C[N@@H+](C)CC1N=Nc1ccc(Cl)c(Cl)c1 ZINC000752159522 626420405 /nfs/dbraw/zinc/42/04/05/626420405.db2.gz DOHZDCDOKONWIQ-MRVPVSSYSA-N 1 1 272.179 3.343 20 30 CGEDMO Cc1cc(F)ccc1C[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000753786996 626465591 /nfs/dbraw/zinc/46/55/91/626465591.db2.gz SZQOMFHWOAPQLO-SFHVURJKSA-N 1 1 298.361 3.171 20 30 CGEDMO CCCCCCCCNc1nc(N2CCOCC2)cc[nH+]1 ZINC000754784631 626587277 /nfs/dbraw/zinc/58/72/77/626587277.db2.gz IALXYZLHOSXIDE-UHFFFAOYSA-N 1 1 292.427 3.086 20 30 CGEDMO CCCCCCCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000754864928 626591174 /nfs/dbraw/zinc/59/11/74/626591174.db2.gz IDCSMNHQKONOFG-LSDHHAIUSA-N 1 1 283.460 3.129 20 30 CGEDMO CCCCCCCCNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000755078798 626599892 /nfs/dbraw/zinc/59/98/92/626599892.db2.gz RMOKKFNQEFRZIA-HOTGVXAUSA-N 1 1 297.487 3.471 20 30 CGEDMO C[C@H]1C[N@H+](C2CC2)CC1N=Nc1ncc(Cl)cc1Cl ZINC000755887193 626656428 /nfs/dbraw/zinc/65/64/28/626656428.db2.gz JHWVBROMASWOJJ-QMMMGPOBSA-N 1 1 299.205 3.270 20 30 CGEDMO C[C@H]1CC(N=Nc2nc(C(F)(F)F)cs2)CC[N@H+]1C ZINC000755904020 626658530 /nfs/dbraw/zinc/65/85/30/626658530.db2.gz LMLVOTVUMKCFCS-ZETCQYMHSA-N 1 1 292.330 3.044 20 30 CGEDMO C=C(Br)C[N@@H+]1CCSC2(CCC2)CC1 ZINC000839625483 626767646 /nfs/dbraw/zinc/76/76/46/626767646.db2.gz RTJXFPDEOBQCPK-UHFFFAOYSA-N 1 1 276.243 3.257 20 30 CGEDMO C=C(Br)C[N@H+]1CCSC2(CCC2)CC1 ZINC000839625483 626767651 /nfs/dbraw/zinc/76/76/51/626767651.db2.gz RTJXFPDEOBQCPK-UHFFFAOYSA-N 1 1 276.243 3.257 20 30 CGEDMO C=C(Cl)C[NH2+][C@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000839609537 626769099 /nfs/dbraw/zinc/76/90/99/626769099.db2.gz CJIWRSUTXLINGR-GFCCVEGCSA-N 1 1 293.716 3.471 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC000839680282 626778588 /nfs/dbraw/zinc/77/85/88/626778588.db2.gz UBZTVESWHWOIKZ-KRWDZBQOSA-N 1 1 294.439 3.428 20 30 CGEDMO C[N@H+]1CCCC(N=Nc2cccc3c2CCCC3)CC1 ZINC000758107475 626827713 /nfs/dbraw/zinc/82/77/13/626827713.db2.gz OLPXPYKCFNMZMX-UHFFFAOYSA-N 1 1 271.408 3.449 20 30 CGEDMO C[N@H+]1CCCC(N=Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000758106987 626827755 /nfs/dbraw/zinc/82/77/55/626827755.db2.gz KOCAVFUDCXMBGJ-UHFFFAOYSA-N 1 1 296.758 3.132 20 30 CGEDMO N#Cc1cccn(C[N@H+]2CCC[C@@H]2CC2CCCCC2)c1=O ZINC000758205361 626833493 /nfs/dbraw/zinc/83/34/93/626833493.db2.gz TWPOMMIFYDIOKH-QGZVFWFLSA-N 1 1 299.418 3.112 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2ccc(C(F)(F)F)s2)nc1 ZINC000758460044 626844938 /nfs/dbraw/zinc/84/49/38/626844938.db2.gz PCZJLBQDGBWWJS-UHFFFAOYSA-N 1 1 297.305 3.323 20 30 CGEDMO CC[N@@H+](CCc1ccccn1)Cc1ccc(F)c(C#N)c1 ZINC000758693893 626854845 /nfs/dbraw/zinc/85/48/45/626854845.db2.gz CKKHXAHHUGMILG-UHFFFAOYSA-N 1 1 283.350 3.157 20 30 CGEDMO C=CCCCCCCNC(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000805184215 626910096 /nfs/dbraw/zinc/91/00/96/626910096.db2.gz KWGDHYMKYKFPKD-MRXNPFEDSA-N 1 1 295.471 3.152 20 30 CGEDMO C=CC[N@@H+](C[C@H](O)c1ccc(Cl)c(F)c1)C(C)C ZINC000759846076 626925775 /nfs/dbraw/zinc/92/57/75/626925775.db2.gz WAXDAZSLZIOOJJ-AWEZNQCLSA-N 1 1 271.763 3.409 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759855413 626927282 /nfs/dbraw/zinc/92/72/82/626927282.db2.gz CPYLXFVSAOINJT-CQSZACIVSA-N 1 1 271.763 3.411 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759855410 626927436 /nfs/dbraw/zinc/92/74/36/626927436.db2.gz CPYLXFVSAOINJT-AWEZNQCLSA-N 1 1 271.763 3.411 20 30 CGEDMO C=CCCCCCCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000805218905 627010937 /nfs/dbraw/zinc/01/09/37/627010937.db2.gz ORXRUCILNCVEAL-HNNXBMFYSA-N 1 1 266.429 3.114 20 30 CGEDMO C[C@@H]1CC(N=Nc2ccnc3cc(Cl)ccc23)C[N@H+]1C ZINC000761794954 627061245 /nfs/dbraw/zinc/06/12/45/627061245.db2.gz UEEKSCRRLYFGRQ-SNVBAGLBSA-N 1 1 288.782 3.380 20 30 CGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CC[C@@H]2c2cccc(F)c2)cc1 ZINC000763413267 627157023 /nfs/dbraw/zinc/15/70/23/627157023.db2.gz IVEMVQHRCSOJEY-QZTJIDSGSA-N 1 1 296.345 3.178 20 30 CGEDMO C#CC[N@H+](Cc1cc(C)cc(Br)c1O)C1CC1 ZINC000764683137 627218330 /nfs/dbraw/zinc/21/83/30/627218330.db2.gz PUJJCQQEASVXRF-UHFFFAOYSA-N 1 1 294.192 3.061 20 30 CGEDMO C#CC[N@H+](Cc1cc(C)cc(Br)c1[O-])C1CC1 ZINC000764683137 627218327 /nfs/dbraw/zinc/21/83/27/627218327.db2.gz PUJJCQQEASVXRF-UHFFFAOYSA-N 1 1 294.192 3.061 20 30 CGEDMO C#CC[N@@H+](Cc1cc(C)cc(Br)c1O)C1CC1 ZINC000764683137 627218328 /nfs/dbraw/zinc/21/83/28/627218328.db2.gz PUJJCQQEASVXRF-UHFFFAOYSA-N 1 1 294.192 3.061 20 30 CGEDMO FC(F)(F)c1ccccc1N=NC1CC[N@H+]2CCC[C@H]12 ZINC000765541735 627257724 /nfs/dbraw/zinc/25/77/24/627257724.db2.gz BXSXSFOELWNATL-CYBMUJFWSA-N 1 1 283.297 3.341 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C[C@@H]1C ZINC000766376307 627324639 /nfs/dbraw/zinc/32/46/39/627324639.db2.gz YQZMPCQVTCGXFX-CABCVRRESA-N 1 1 294.402 3.357 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000766665570 627351707 /nfs/dbraw/zinc/35/17/07/627351707.db2.gz JHFAIOGJUIDKOT-GFCCVEGCSA-N 1 1 283.371 3.471 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C#N)cc1OC)C1CCCCC1 ZINC000766894392 627367520 /nfs/dbraw/zinc/36/75/20/627367520.db2.gz FQIFSJQXKNAAGP-UHFFFAOYSA-N 1 1 282.387 3.335 20 30 CGEDMO C=CC[N@@H+](Cc1ncccc1C(F)(F)F)C(C)C ZINC000768546943 627485812 /nfs/dbraw/zinc/48/58/12/627485812.db2.gz FRDHBTMYFJDAGZ-UHFFFAOYSA-N 1 1 258.287 3.497 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccccc1N1CCCCC1 ZINC000769104809 627522677 /nfs/dbraw/zinc/52/26/77/627522677.db2.gz KCUKZLPZVSBMIU-UHFFFAOYSA-N 1 1 256.393 3.132 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CCS[C@H](C)[C@H]2C)cc1 ZINC000769446330 627552642 /nfs/dbraw/zinc/55/26/42/627552642.db2.gz NIKLGRPXPAQVRW-HUUCEWRRSA-N 1 1 289.444 3.415 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CC(C)(C)OCC2(C)C)cc1 ZINC000769446713 627552716 /nfs/dbraw/zinc/55/27/16/627552716.db2.gz RYHPNDWXAAPKBP-UHFFFAOYSA-N 1 1 287.403 3.088 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CCS[C@@H](CC)C1 ZINC000769446349 627552782 /nfs/dbraw/zinc/55/27/82/627552782.db2.gz NTQHGTYWDSPAFJ-HNNXBMFYSA-N 1 1 275.417 3.026 20 30 CGEDMO CC1=CC[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)CC1 ZINC000769445676 627552875 /nfs/dbraw/zinc/55/28/75/627552875.db2.gz KIDDDGJPUYLXES-AWEZNQCLSA-N 1 1 256.349 3.129 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC3(CCC3)C2)cc1 ZINC000769447961 627553806 /nfs/dbraw/zinc/55/38/06/627553806.db2.gz UVPVQKOARJCSJJ-UHFFFAOYSA-N 1 1 255.361 3.075 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000769471938 627556967 /nfs/dbraw/zinc/55/69/67/627556967.db2.gz ZEJGKEZNELUKKV-LSDHHAIUSA-N 1 1 271.408 3.267 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000769798768 627578752 /nfs/dbraw/zinc/57/87/52/627578752.db2.gz YDTYDTCGCLZWME-OAHLLOKOSA-N 1 1 294.439 3.181 20 30 CGEDMO C=CC[N@@H+](Cn1cc(-c2ccc(C)cc2)cn1)C1CC1 ZINC000771639618 627724645 /nfs/dbraw/zinc/72/46/45/627724645.db2.gz BVELPHXGFYNRNZ-UHFFFAOYSA-N 1 1 267.376 3.466 20 30 CGEDMO C=CC[N@H+](Cn1cc(-c2ccc(C)cc2)cn1)C1CC1 ZINC000771639618 627724651 /nfs/dbraw/zinc/72/46/51/627724651.db2.gz BVELPHXGFYNRNZ-UHFFFAOYSA-N 1 1 267.376 3.466 20 30 CGEDMO C#CCOc1ccccc1C[NH2+][C@H](C)c1ccc(F)cn1 ZINC000772986881 627837554 /nfs/dbraw/zinc/83/75/54/627837554.db2.gz FFXFUXYPYROEMN-CYBMUJFWSA-N 1 1 284.334 3.084 20 30 CGEDMO C=C(CC)CN1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000773421236 627882525 /nfs/dbraw/zinc/88/25/25/627882525.db2.gz NTISEGBVFZNLDU-UHFFFAOYSA-N 1 1 295.430 3.319 20 30 CGEDMO C=C(CC)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000773456071 627885398 /nfs/dbraw/zinc/88/53/98/627885398.db2.gz IVEPQVMJERNMBN-MRXNPFEDSA-N 1 1 275.392 3.339 20 30 CGEDMO CCN(C)c1ccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000773834122 627918549 /nfs/dbraw/zinc/91/85/49/627918549.db2.gz CGNSWGOMGYNOSC-KRWDZBQOSA-N 1 1 271.408 3.268 20 30 CGEDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000773834122 627918554 /nfs/dbraw/zinc/91/85/54/627918554.db2.gz CGNSWGOMGYNOSC-KRWDZBQOSA-N 1 1 271.408 3.268 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CCC1=NOC1CCCC1 ZINC000774596243 628007705 /nfs/dbraw/zinc/00/77/05/628007705.db2.gz ABMMPHQGWNLWKC-CQSZACIVSA-N 1 1 287.407 3.239 20 30 CGEDMO CCOCCC[N@H+]1CCC(=NOC2CCCC2)[C@H](C)C1 ZINC000774603178 628008320 /nfs/dbraw/zinc/00/83/20/628008320.db2.gz OFYSYQNHAPKGJN-CQSZACIVSA-N 1 1 282.428 3.070 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1cccc(C#N)c1 ZINC000775337346 628084056 /nfs/dbraw/zinc/08/40/56/628084056.db2.gz FARUAMXLPKCQJH-LBPRGKRZSA-N 1 1 279.318 3.420 20 30 CGEDMO C=CCC[C@H]([NH2+]Cc1nc(C)cc(=O)[nH]1)c1ccccc1 ZINC000775463332 628096965 /nfs/dbraw/zinc/09/69/65/628096965.db2.gz KBASDPKPVSRRFO-HNNXBMFYSA-N 1 1 283.375 3.288 20 30 CGEDMO C=C[C@H](CC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C)c1ccccc1 ZINC000874834867 634629742 /nfs/dbraw/zinc/62/97/42/634629742.db2.gz VAJPTKYTUVBNNK-BPQIPLTHSA-N 1 1 298.430 3.041 20 30 CGEDMO C#C[C@H]([NH2+][C@@H](C)c1ccccc1Cl)[C@H]1CCCO1 ZINC000775571841 628108886 /nfs/dbraw/zinc/10/88/86/628108886.db2.gz LQSYSFXWVBHKCN-TUKIKUTGSA-N 1 1 263.768 3.171 20 30 CGEDMO C#C[C@H]([NH2+][C@@H](CC)c1cc(F)ccc1F)[C@@H]1CCCO1 ZINC000775574116 628109618 /nfs/dbraw/zinc/10/96/18/628109618.db2.gz NRLKAGRLJOZDTH-JYJNAYRXSA-N 1 1 279.330 3.186 20 30 CGEDMO C=CC[N@H+](Cc1nnc(-c2ccccc2)o1)C(C)C ZINC000775992499 628155761 /nfs/dbraw/zinc/15/57/61/628155761.db2.gz GFXBZJTVKILYMA-UHFFFAOYSA-N 1 1 257.337 3.133 20 30 CGEDMO C=CC[N@@H+](Cc1nnc(-c2ccccc2)o1)C(C)C ZINC000775992499 628155762 /nfs/dbraw/zinc/15/57/62/628155762.db2.gz GFXBZJTVKILYMA-UHFFFAOYSA-N 1 1 257.337 3.133 20 30 CGEDMO C#CC[N@H+](Cc1ccc(F)cc1)Cc1cc(F)ccc1O ZINC000779003722 628382515 /nfs/dbraw/zinc/38/25/15/628382515.db2.gz XWKLJXLSKYEYEK-UHFFFAOYSA-N 1 1 287.309 3.306 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cc(F)ccc1O ZINC000779003722 628382519 /nfs/dbraw/zinc/38/25/19/628382519.db2.gz XWKLJXLSKYEYEK-UHFFFAOYSA-N 1 1 287.309 3.306 20 30 CGEDMO CCCC(=NNc1cc[nH+]cc1)c1cccc([N+](=O)[O-])c1 ZINC000779810267 628433889 /nfs/dbraw/zinc/43/38/89/628433889.db2.gz ZUZCJJJTICAVRS-UHFFFAOYSA-N 1 1 284.319 3.028 20 30 CGEDMO C#CCCCCCC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000780676893 628508798 /nfs/dbraw/zinc/50/87/98/628508798.db2.gz AAQZAWNUYIGEPY-IEBWSBKVSA-N 1 1 298.430 3.132 20 30 CGEDMO CCOCCC[N@H+]1CCC(=NNCCC(C)(C)C)[C@@H](C)C1 ZINC000782902513 628666292 /nfs/dbraw/zinc/66/62/92/628666292.db2.gz BNYUOUVCIOPHHY-HNNXBMFYSA-N 1 1 297.487 3.137 20 30 CGEDMO CC(C)C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccccn1 ZINC000783300421 628701314 /nfs/dbraw/zinc/70/13/14/628701314.db2.gz MCSSTVYINWGLNV-KRWDZBQOSA-N 1 1 280.375 3.225 20 30 CGEDMO CCOCOc1ccc(C[N@H+](C[C@H](C)C#N)C2CC2)cc1 ZINC000783496162 628718354 /nfs/dbraw/zinc/71/83/54/628718354.db2.gz YAYLIYPUGIJEKT-CQSZACIVSA-N 1 1 288.391 3.183 20 30 CGEDMO CCOCOc1ccc(C[N@@H+](C[C@H](C)C#N)C2CC2)cc1 ZINC000783496162 628718355 /nfs/dbraw/zinc/71/83/55/628718355.db2.gz YAYLIYPUGIJEKT-CQSZACIVSA-N 1 1 288.391 3.183 20 30 CGEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+](C)C[C@H]1CC=CCC1 ZINC000784393371 628812324 /nfs/dbraw/zinc/81/23/24/628812324.db2.gz QEMJMLLJAJRZHS-DOTOQJQBSA-N 1 1 298.386 3.060 20 30 CGEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@H]1CC=CCC1 ZINC000784393371 628812327 /nfs/dbraw/zinc/81/23/27/628812327.db2.gz QEMJMLLJAJRZHS-DOTOQJQBSA-N 1 1 298.386 3.060 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)OCCCCn1cc[nH+]c1C ZINC000785770182 628887512 /nfs/dbraw/zinc/88/75/12/628887512.db2.gz VWVRCNZHBVWZRM-HNNXBMFYSA-N 1 1 264.369 3.117 20 30 CGEDMO Cc1c([C@@H](C)[NH2+]Cc2ccc(C#N)cn2)cnn1C(C)(C)C ZINC000786937250 628971643 /nfs/dbraw/zinc/97/16/43/628971643.db2.gz XMGMMJUUTSTRPO-GFCCVEGCSA-N 1 1 297.406 3.064 20 30 CGEDMO CC[C@@H](c1ccccc1OC)[N@@H+](C)CCO[C@H](C)C#N ZINC000805836586 629012367 /nfs/dbraw/zinc/01/23/67/629012367.db2.gz SXXFDPMIQOQXNZ-HIFRSBDPSA-N 1 1 276.380 3.007 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000787997269 629038619 /nfs/dbraw/zinc/03/86/19/629038619.db2.gz JCDFBSAKNVSXPQ-UHFFFAOYSA-N 1 1 272.392 3.092 20 30 CGEDMO C#CC(C)(C)[N@H+](C)CC(=O)Nc1ccc(C(C)C)cc1 ZINC000787997269 629038620 /nfs/dbraw/zinc/03/86/20/629038620.db2.gz JCDFBSAKNVSXPQ-UHFFFAOYSA-N 1 1 272.392 3.092 20 30 CGEDMO C#CC[N@H+](CC[C@@H](C)OCc1ccccc1)C1CC1 ZINC000789379687 629128878 /nfs/dbraw/zinc/12/88/78/629128878.db2.gz WDJTVYRGDMOCIR-OAHLLOKOSA-N 1 1 257.377 3.079 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)C[C@@H]2C(C)=CCC[C@H]2C)n1 ZINC000789761834 629165762 /nfs/dbraw/zinc/16/57/62/629165762.db2.gz LAYCLUXJMCPLGX-SJLPKXTDSA-N 1 1 285.435 3.331 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)C[C@H]2C(C)=CCC[C@H]2C)n1 ZINC000789761832 629166129 /nfs/dbraw/zinc/16/61/29/629166129.db2.gz LAYCLUXJMCPLGX-AEFFLSMTSA-N 1 1 285.435 3.331 20 30 CGEDMO C#C[C@@H](CC)OC(=O)c1ccc(C[N@H+](CC)CCC)cc1 ZINC000805918314 629195486 /nfs/dbraw/zinc/19/54/86/629195486.db2.gz PHNDROXXUAEYFS-KRWDZBQOSA-N 1 1 287.403 3.487 20 30 CGEDMO C[C@@H]1C[C@@H](C)[NH+]1Cc1cc(Cl)ccc1OCC#N ZINC000791578475 629290278 /nfs/dbraw/zinc/29/02/78/629290278.db2.gz VEYVMZKXWGMCCP-GHMZBOCLSA-N 1 1 264.756 3.225 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2csc(Br)c2)C1 ZINC000862442283 629374257 /nfs/dbraw/zinc/37/42/57/629374257.db2.gz BFUJPNSBWYOQMP-SNVBAGLBSA-N 1 1 284.222 3.356 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2c(F)ccc(O)c2F)C1 ZINC000862442371 629374390 /nfs/dbraw/zinc/37/43/90/629374390.db2.gz ZBFZVWNCOFRQEM-SNVBAGLBSA-N 1 1 253.292 3.068 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000862444746 629377884 /nfs/dbraw/zinc/37/78/84/629377884.db2.gz GLMYMFZGSRTWIH-AWEZNQCLSA-N 1 1 285.387 3.177 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000862445215 629377912 /nfs/dbraw/zinc/37/79/12/629377912.db2.gz OHFSVRAIKQEKNQ-NSHDSACASA-N 1 1 278.739 3.093 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000862445646 629379641 /nfs/dbraw/zinc/37/96/41/629379641.db2.gz YSWUNZMXFQSPRI-INIZCTEOSA-N 1 1 282.387 3.214 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cccc(OC3CC3)c2F)C1 ZINC000862446750 629379980 /nfs/dbraw/zinc/37/99/80/629379980.db2.gz CXJOJSJENSAIKS-ZDUSSCGKSA-N 1 1 273.351 3.212 20 30 CGEDMO C#CCC[N@@H+]1CCCN(c2cccc(Cl)c2C)CC1 ZINC000792890469 629391706 /nfs/dbraw/zinc/39/17/06/629391706.db2.gz SVFYRTLMGVBBJU-UHFFFAOYSA-N 1 1 276.811 3.184 20 30 CGEDMO CC[C@@H]1C[C@H](C[N@H+]2CCc3c(CC#N)cccc3C2)CCO1 ZINC000862542310 629396987 /nfs/dbraw/zinc/39/69/87/629396987.db2.gz LNDAUZOYTQKYIY-CRAIPNDOSA-N 1 1 298.430 3.316 20 30 CGEDMO CCOCCC[N@H+]1CCC(N=N[C@H](C)C(C)(C)C)[C@@H](C)C1 ZINC000793113245 629412462 /nfs/dbraw/zinc/41/24/62/629412462.db2.gz BSOAMRUHAPKJSP-LSDHHAIUSA-N 1 1 297.487 3.135 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793185237 629424708 /nfs/dbraw/zinc/42/47/08/629424708.db2.gz IJYKOIVFDLWWNZ-NSHDSACASA-N 1 1 284.325 3.225 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@@](C)(OC)C2)cc1 ZINC000793216948 629429813 /nfs/dbraw/zinc/42/98/13/629429813.db2.gz KWHCGQXGAJADAX-GOSISDBHSA-N 1 1 287.403 3.090 20 30 CGEDMO Oc1ccc(C2CCC(=[NH+]n3cccn3)CC2)cc1 ZINC000863163959 629487892 /nfs/dbraw/zinc/48/78/92/629487892.db2.gz VEANDMYBVBEORF-UHFFFAOYSA-N 1 1 255.321 3.151 20 30 CGEDMO C=CC[N@H+](CN1C[C@H](c2ccccc2)OC1=O)C(C)C ZINC000863257101 629514064 /nfs/dbraw/zinc/51/40/64/629514064.db2.gz MAGOZZJRUKALBG-OAHLLOKOSA-N 1 1 274.364 3.034 20 30 CGEDMO C=CC[N@@H+](CN1C[C@H](c2ccccc2)OC1=O)C(C)C ZINC000863257101 629514075 /nfs/dbraw/zinc/51/40/75/629514075.db2.gz MAGOZZJRUKALBG-OAHLLOKOSA-N 1 1 274.364 3.034 20 30 CGEDMO CSCCON=C1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000794572758 629557448 /nfs/dbraw/zinc/55/74/48/629557448.db2.gz HMBNKRNGNUWOJL-AWEZNQCLSA-N 1 1 292.448 3.407 20 30 CGEDMO C#CCC[N@H+]1C[C@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000795075798 629629882 /nfs/dbraw/zinc/62/98/82/629629882.db2.gz PVENDLFPVVTPOI-SWLSCSKDSA-N 1 1 297.320 3.491 20 30 CGEDMO C#CCC[N@@H+]1C[C@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000795075798 629629890 /nfs/dbraw/zinc/62/98/90/629629890.db2.gz PVENDLFPVVTPOI-SWLSCSKDSA-N 1 1 297.320 3.491 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)Cc1cc(C)ccn1 ZINC000796634002 629808116 /nfs/dbraw/zinc/80/81/16/629808116.db2.gz WYPGQLRYZXFQNO-UHFFFAOYSA-N 1 1 250.345 3.025 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1cc(C)ccn1 ZINC000796634002 629808119 /nfs/dbraw/zinc/80/81/19/629808119.db2.gz WYPGQLRYZXFQNO-UHFFFAOYSA-N 1 1 250.345 3.025 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC000796683782 629814730 /nfs/dbraw/zinc/81/47/30/629814730.db2.gz OXNCQMWILGJEDZ-HNNXBMFYSA-N 1 1 280.412 3.086 20 30 CGEDMO CC(C)c1c(Cl)ncnc1N=NC1CC[N@@H+](C)[C@@H](C)C1 ZINC000797403890 629942290 /nfs/dbraw/zinc/94/22/90/629942290.db2.gz BGBZHPAKUVPBRA-JTQLQIEISA-N 1 1 295.818 3.135 20 30 CGEDMO N#Cc1ccc(F)c(C[NH2+][C@H](c2cncc(F)c2)C2CC2)c1 ZINC000798930352 630126987 /nfs/dbraw/zinc/12/69/87/630126987.db2.gz OIYLQFRJBUPZFL-KRWDZBQOSA-N 1 1 299.324 3.472 20 30 CGEDMO CC(=[NH+]Nc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000799105327 630142858 /nfs/dbraw/zinc/14/28/58/630142858.db2.gz UBQWDJKRKZDAOT-UHFFFAOYSA-N 1 1 270.292 3.013 20 30 CGEDMO Cc1cc(C)c(N[NH2+]C2=CC(=O)N3CCCC[C@@H]23)c(C)c1 ZINC000799480896 630187900 /nfs/dbraw/zinc/18/79/00/630187900.db2.gz ARWVXBXVZJUQGF-HNNXBMFYSA-N 1 1 285.391 3.165 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000801569105 630344713 /nfs/dbraw/zinc/34/47/13/630344713.db2.gz CDPFOEYOYQZEIV-KRWDZBQOSA-N 1 1 282.472 3.001 20 30 CGEDMO CCC1CCC([N@@H+](CCO[C@H](C)C#N)C2CC2)CC1 ZINC000801913133 630364795 /nfs/dbraw/zinc/36/47/95/630364795.db2.gz QQTJPSUOCPEORZ-WLYUNCDWSA-N 1 1 264.413 3.348 20 30 CGEDMO CC[C@@H]1C[N@@H+](CCO[C@H](C)C#N)CC[C@H]1c1ccccc1 ZINC000801924884 630367349 /nfs/dbraw/zinc/36/73/49/630367349.db2.gz ARAYWLHFHPDABT-JFIYKMOQSA-N 1 1 286.419 3.431 20 30 CGEDMO C=CCc1cc(OCC)cc(C[N@H+]2CC[C@H](F)C2)c1O ZINC000840102920 630594552 /nfs/dbraw/zinc/59/45/52/630594552.db2.gz HKZBBZNXDZMEMY-AWEZNQCLSA-N 1 1 279.355 3.063 20 30 CGEDMO N#CC[C@@H](O)C[N@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000809572671 630751615 /nfs/dbraw/zinc/75/16/15/630751615.db2.gz QPCZSQWIVONCDX-CRAIPNDOSA-N 1 1 280.371 3.251 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)Cc2ccc([S@@](C)=O)cc2)cc1 ZINC000809584332 630756679 /nfs/dbraw/zinc/75/66/79/630756679.db2.gz XHULTRKPUVWBDP-OAQYLSRUSA-N 1 1 297.423 3.037 20 30 CGEDMO C#C[C@H]([NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1)C(C)C ZINC000809684417 630779679 /nfs/dbraw/zinc/77/96/79/630779679.db2.gz BEYMDRCHAPJCQL-QRQLOZEOSA-N 1 1 284.447 3.144 20 30 CGEDMO C#C[C@H]([NH2+]C[C@H]1CCC=CO1)c1ccc(Cl)cc1F ZINC000809698642 630786086 /nfs/dbraw/zinc/78/60/86/630786086.db2.gz FHHFMYKQKDSGFM-DOMZBBRYSA-N 1 1 279.742 3.436 20 30 CGEDMO C#CCOc1ccc([C@@H](C)N[C@H](C)C[N@H+](C)C(C)C)cc1 ZINC000810254748 630860605 /nfs/dbraw/zinc/86/06/05/630860605.db2.gz QFWDFOJQIDSZOL-HZPDHXFCSA-N 1 1 288.435 3.078 20 30 CGEDMO C#CCOc1ccc([C@@H](C)N[C@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000810254748 630860609 /nfs/dbraw/zinc/86/06/09/630860609.db2.gz QFWDFOJQIDSZOL-HZPDHXFCSA-N 1 1 288.435 3.078 20 30 CGEDMO CCCCCCCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000810729305 630936426 /nfs/dbraw/zinc/93/64/26/630936426.db2.gz WQDUVIRJJHZNGA-GJZGRUSLSA-N 1 1 268.445 3.193 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCC[C@@H]1c1nc(C(=O)OCC)cs1 ZINC000878504206 635533996 /nfs/dbraw/zinc/53/39/96/635533996.db2.gz DVQZLGCAFWLAQL-DGCLKSJQSA-N 1 1 294.420 3.421 20 30 CGEDMO C=CC[C@@H](C)[N@@H+]1CCC[C@@H]1c1nc(C(=O)OCC)cs1 ZINC000878504206 635533999 /nfs/dbraw/zinc/53/39/99/635533999.db2.gz DVQZLGCAFWLAQL-DGCLKSJQSA-N 1 1 294.420 3.421 20 30 CGEDMO C#C[C@H]([NH2+]Cc1cnc2ccccn12)c1ccc(Cl)cc1 ZINC000811516351 631081440 /nfs/dbraw/zinc/08/14/40/631081440.db2.gz MANVABFRNRQPEB-INIZCTEOSA-N 1 1 295.773 3.452 20 30 CGEDMO C=C(C)CNN=C1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000811651630 631098876 /nfs/dbraw/zinc/09/88/76/631098876.db2.gz HTOMAXNZZNULIY-ZWKOTPCHSA-N 1 1 297.446 3.440 20 30 CGEDMO CC(=[NH+]OC/C=C\Cl)c1cccc(N2CCOCC2)c1 ZINC000811670965 631109056 /nfs/dbraw/zinc/10/90/56/631109056.db2.gz JXCCRDGDITYVMT-SMMMNNIUSA-N 1 1 294.782 3.016 20 30 CGEDMO C[C@H]1CC(=NOC2CCC2)C[N@H+](Cc2ccccc2)C1 ZINC000812236324 631227943 /nfs/dbraw/zinc/22/79/43/631227943.db2.gz KNUWUXNWUDFVEE-AWEZNQCLSA-N 1 1 272.392 3.454 20 30 CGEDMO C#CC[N@H+](Cc1cccc(C#N)n1)[C@H]1CCc2ccccc21 ZINC000876513623 634849972 /nfs/dbraw/zinc/84/99/72/634849972.db2.gz OLXRKBYOUJDNLT-IBGZPJMESA-N 1 1 287.366 3.076 20 30 CGEDMO C#CC[N@@H+](Cc1cccc(C#N)n1)[C@H]1CCc2ccccc21 ZINC000876513623 634849976 /nfs/dbraw/zinc/84/99/76/634849976.db2.gz OLXRKBYOUJDNLT-IBGZPJMESA-N 1 1 287.366 3.076 20 30 CGEDMO C[N@H+](Cc1cncc2ccccc21)CC(C)(C)C#N ZINC000814669267 631619224 /nfs/dbraw/zinc/61/92/24/631619224.db2.gz OOOXOMMJOPRZII-UHFFFAOYSA-N 1 1 253.349 3.216 20 30 CGEDMO C[N@@H+](Cc1cncc2ccccc21)CC(C)(C)C#N ZINC000814669267 631619227 /nfs/dbraw/zinc/61/92/27/631619227.db2.gz OOOXOMMJOPRZII-UHFFFAOYSA-N 1 1 253.349 3.216 20 30 CGEDMO CC[C@@H](C)NN=C1CCC[N@H+](Cc2ccccc2)[C@H]1C ZINC000814913643 631679286 /nfs/dbraw/zinc/67/92/86/631679286.db2.gz SFZJCHJHSXNCRH-CABCVRRESA-N 1 1 273.424 3.415 20 30 CGEDMO CC[C@@H](C)NN=C1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000814913643 631679292 /nfs/dbraw/zinc/67/92/92/631679292.db2.gz SFZJCHJHSXNCRH-CABCVRRESA-N 1 1 273.424 3.415 20 30 CGEDMO CC(=[NH+]N[C@@H]1CCCC1(C)C)c1cc([N+](=O)[O-])ccc1N ZINC000814916830 631680387 /nfs/dbraw/zinc/68/03/87/631680387.db2.gz FPSKUJGLFKCDSV-CQSZACIVSA-N 1 1 290.367 3.069 20 30 CGEDMO CCC(=[NH+]N[C@@H]1CCSC1)c1ccc(Cl)c(N)c1 ZINC000814933441 631688784 /nfs/dbraw/zinc/68/87/84/631688784.db2.gz OFNFVUFOMBGTJJ-SNVBAGLBSA-N 1 1 283.828 3.131 20 30 CGEDMO Cl/C=C\CO[NH+]=C1CC[C@H]2CNc3cccc1c32 ZINC000814934285 631689688 /nfs/dbraw/zinc/68/96/88/631689688.db2.gz QUNTXWWEVSLFLG-QRHHLJEJSA-N 1 1 262.740 3.463 20 30 CGEDMO C#CC[N@H+](Cc1ccc(CC)cn1)C1CCCCC1 ZINC000815028236 631705095 /nfs/dbraw/zinc/70/50/95/631705095.db2.gz VLKHYXSMVDTPKA-UHFFFAOYSA-N 1 1 256.393 3.412 20 30 CGEDMO CC[N@@H+](C[C@H](O)c1cccc2ccccc21)C[C@H](C)C#N ZINC000815031559 631705416 /nfs/dbraw/zinc/70/54/16/631705416.db2.gz WUOMJURTQVPATB-KDOFPFPSSA-N 1 1 282.387 3.355 20 30 CGEDMO CC[N@H+](C[C@H](O)c1cccc2ccccc21)C[C@H](C)C#N ZINC000815031559 631705417 /nfs/dbraw/zinc/70/54/17/631705417.db2.gz WUOMJURTQVPATB-KDOFPFPSSA-N 1 1 282.387 3.355 20 30 CGEDMO CSCc1cnc(C[NH2+]Cc2ccc(C#N)cc2)s1 ZINC000815115883 631719853 /nfs/dbraw/zinc/71/98/53/631719853.db2.gz PDUBGHWSWAJISL-UHFFFAOYSA-N 1 1 289.429 3.168 20 30 CGEDMO CCCCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000815144380 631729900 /nfs/dbraw/zinc/72/99/00/631729900.db2.gz YTEJQWZBDRSUMA-INIZCTEOSA-N 1 1 252.446 3.375 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000815144380 631729906 /nfs/dbraw/zinc/72/99/06/631729906.db2.gz YTEJQWZBDRSUMA-INIZCTEOSA-N 1 1 252.446 3.375 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2C[C@@H](C)[C@@H]2C)cc1OC ZINC000816649181 632038335 /nfs/dbraw/zinc/03/83/35/632038335.db2.gz VKVPNMIFFGQSMK-OLZOCXBDSA-N 1 1 261.365 3.100 20 30 CGEDMO C#CC[C@H]([NH2+]Cc1cnc(OC)s1)c1ccccc1 ZINC000821218919 632740178 /nfs/dbraw/zinc/74/01/78/632740178.db2.gz AJLUXPANYXNXMJ-AWEZNQCLSA-N 1 1 272.373 3.006 20 30 CGEDMO Cc1ccsc1C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866241832 633041514 /nfs/dbraw/zinc/04/15/14/633041514.db2.gz GKFUVRPXVFETGV-LLVKDONJSA-N 1 1 272.373 3.485 20 30 CGEDMO Cc1nc(C)c(C[NH2+][C@@H](C)c2cccc(C#N)c2O)s1 ZINC000866274248 633058717 /nfs/dbraw/zinc/05/87/17/633058717.db2.gz YGFAEUNKEVKDPB-VIFPVBQESA-N 1 1 287.388 3.188 20 30 CGEDMO N#CCCCC[N@H+]1CC[C@@]2(CCc3ccccc32)C1 ZINC000879998202 635894255 /nfs/dbraw/zinc/89/42/55/635894255.db2.gz OBCUGDQSRBEWEZ-KRWDZBQOSA-N 1 1 254.377 3.270 20 30 CGEDMO Cc1ccc2oc(-c3noc([C@H]([NH3+])CCCC#N)n3)cc2c1 ZINC000823135861 633065022 /nfs/dbraw/zinc/06/50/22/633065022.db2.gz YOWSSKHMQUEVQB-GFCCVEGCSA-N 1 1 296.330 3.485 20 30 CGEDMO Cc1ccoc1C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866362493 633101224 /nfs/dbraw/zinc/10/12/24/633101224.db2.gz BPPMCMFFZGAPEI-NSHDSACASA-N 1 1 256.305 3.016 20 30 CGEDMO C=C(Cl)C[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000823667675 633134632 /nfs/dbraw/zinc/13/46/32/633134632.db2.gz JTERLEUBALYQBM-CYBMUJFWSA-N 1 1 255.789 3.020 20 30 CGEDMO C#C[C@H]([NH2+][C@@H]1CSC[C@@H]1C)c1ccc(Cl)cc1F ZINC000824370364 633237398 /nfs/dbraw/zinc/23/73/98/633237398.db2.gz GBFWPZZIHUIAEP-QCZZGDTMSA-N 1 1 283.799 3.495 20 30 CGEDMO C#C[C@H]([NH2+][C@@H]1CSC[C@H]1C)c1ccc(Cl)cc1F ZINC000824370361 633237603 /nfs/dbraw/zinc/23/76/03/633237603.db2.gz GBFWPZZIHUIAEP-BIGNPOOSSA-N 1 1 283.799 3.495 20 30 CGEDMO CC[N@@H+](Cc1cc(Cl)c(C)cc1O)C[C@H](C)C#N ZINC000824596883 633263194 /nfs/dbraw/zinc/26/31/94/633263194.db2.gz JGOUFYYNPFJXPJ-SNVBAGLBSA-N 1 1 266.772 3.336 20 30 CGEDMO CC[N@H+](Cc1cc(Cl)c(C)cc1O)C[C@H](C)C#N ZINC000824596883 633263197 /nfs/dbraw/zinc/26/31/97/633263197.db2.gz JGOUFYYNPFJXPJ-SNVBAGLBSA-N 1 1 266.772 3.336 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000826861804 633438395 /nfs/dbraw/zinc/43/83/95/633438395.db2.gz JWLFDKVBPJOSOE-INIZCTEOSA-N 1 1 296.418 3.162 20 30 CGEDMO Cc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)cnc1Cl ZINC000826861695 633438428 /nfs/dbraw/zinc/43/84/28/633438428.db2.gz IYAXUPSMLFLUPC-GFCCVEGCSA-N 1 1 263.772 3.169 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@H](CC#N)C2)cnc1Cl ZINC000826861695 633438431 /nfs/dbraw/zinc/43/84/31/633438431.db2.gz IYAXUPSMLFLUPC-GFCCVEGCSA-N 1 1 263.772 3.169 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000827651024 633506935 /nfs/dbraw/zinc/50/69/35/633506935.db2.gz YDDNOEDIFJLMPZ-KRWDZBQOSA-N 1 1 266.344 3.281 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000870121406 633532743 /nfs/dbraw/zinc/53/27/43/633532743.db2.gz PWEUJEKKQOYGOH-HNNXBMFYSA-N 1 1 286.419 3.104 20 30 CGEDMO C=CCCCC[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000828059604 633554627 /nfs/dbraw/zinc/55/46/27/633554627.db2.gz VMNAFOHNZKYJIW-MSOLQXFVSA-N 1 1 289.419 3.167 20 30 CGEDMO C=CC1(CC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CCCCC1 ZINC000828510809 633622267 /nfs/dbraw/zinc/62/22/67/633622267.db2.gz KAYCIDFJFHJWBD-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO CC[C@@H]([NH2+]CC1(C#N)CCC1)c1ccccc1OC ZINC000828656429 633640240 /nfs/dbraw/zinc/64/02/40/633640240.db2.gz WQDIWBMQXUTJOO-CQSZACIVSA-N 1 1 258.365 3.430 20 30 CGEDMO C[C@@H](C[C@H]1CCCC[N@H+]1C)OC(=O)c1ccc(C#N)s1 ZINC000870786354 633646645 /nfs/dbraw/zinc/64/66/45/633646645.db2.gz BPDDYWMPYLYTDE-NWDGAFQWSA-N 1 1 292.404 3.039 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OC)c(OC)c1)C1CCCC1 ZINC000123439203 633674162 /nfs/dbraw/zinc/67/41/62/633674162.db2.gz YHVZMLFAVYJCED-UHFFFAOYSA-N 1 1 273.376 3.082 20 30 CGEDMO C[N@@H+](CCCC(C)(C)C#N)C[C@@]1(O)CCc2ccccc21 ZINC000829337826 633724554 /nfs/dbraw/zinc/72/45/54/633724554.db2.gz MSJIMORUPQMDRG-SFHVURJKSA-N 1 1 286.419 3.082 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000829682124 633766318 /nfs/dbraw/zinc/76/63/18/633766318.db2.gz WLYLVFLNNDUCKT-CQSZACIVSA-N 1 1 289.423 3.335 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2nc3cc(F)ccc3o2)C1 ZINC000829789205 633783547 /nfs/dbraw/zinc/78/35/47/633783547.db2.gz PXKLDWNTMXZMJH-LBPRGKRZSA-N 1 1 272.323 3.202 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2cc(C(C)(C)C)on2)C1 ZINC000829809816 633793108 /nfs/dbraw/zinc/79/31/08/633793108.db2.gz IHALERIQVYPDOO-ZDUSSCGKSA-N 1 1 260.381 3.207 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cc(C(C)(C)C)on2)C1 ZINC000829809816 633793111 /nfs/dbraw/zinc/79/31/11/633793111.db2.gz IHALERIQVYPDOO-ZDUSSCGKSA-N 1 1 260.381 3.207 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2oc(CCC)nc2C)C1 ZINC000829815832 633796757 /nfs/dbraw/zinc/79/67/57/633796757.db2.gz UMLDRCDYOVNUNQ-AWEZNQCLSA-N 1 1 260.381 3.171 20 30 CGEDMO C#CC1CC[NH+](Cc2csc(C(C)(C)C)n2)CC1 ZINC000830305351 633848544 /nfs/dbraw/zinc/84/85/44/633848544.db2.gz LRSZHXVENXAVPS-UHFFFAOYSA-N 1 1 262.422 3.286 20 30 CGEDMO CC(C)C[C@@]1(C)CCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000830803458 633890237 /nfs/dbraw/zinc/89/02/37/633890237.db2.gz MQPZWWAKJJDWDL-ZWKOTPCHSA-N 1 1 286.419 3.492 20 30 CGEDMO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(C(F)(F)F)nc1 ZINC000871934009 633920555 /nfs/dbraw/zinc/92/05/55/633920555.db2.gz AYRGHVNWEXDZSN-MNOVXSKESA-N 1 1 296.296 3.195 20 30 CGEDMO C=C(C)CN1CCC([NH2+][C@H](C)c2cccc(O)c2F)CC1 ZINC000872033882 633952999 /nfs/dbraw/zinc/95/29/99/633952999.db2.gz JPJDRIUEFOEPAB-CYBMUJFWSA-N 1 1 292.398 3.222 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831539161 633973088 /nfs/dbraw/zinc/97/30/88/633973088.db2.gz NBIXQKUDQHHJCD-OAHLLOKOSA-N 1 1 272.348 3.188 20 30 CGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ccc(OC)c(C)c2)no1 ZINC000872175381 634079404 /nfs/dbraw/zinc/07/94/04/634079404.db2.gz PLFNUPHCJOEZFX-LLVKDONJSA-N 1 1 293.754 3.196 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)[C@H]1C(C)C ZINC000834387242 634158958 /nfs/dbraw/zinc/15/89/58/634158958.db2.gz DLLCWGNDBFXVPC-KSZLIROESA-N 1 1 286.419 3.204 20 30 CGEDMO C=CCN(Cc1ccccc1)C(=O)CCCn1cc[nH+]c1C ZINC000101669871 634230842 /nfs/dbraw/zinc/23/08/42/634230842.db2.gz WOBGYKHWPAWMBD-UHFFFAOYSA-N 1 1 297.402 3.187 20 30 CGEDMO CC(=[NH+]OC(C)C)c1ccc(N2CCOCC2)cc1Cl ZINC000835000089 634307638 /nfs/dbraw/zinc/30/76/38/634307638.db2.gz JXJSYNKZTUMCMY-UHFFFAOYSA-N 1 1 296.798 3.326 20 30 CGEDMO COc1ccc(C[N@@H+](C)C[C@H](C)CCC#N)cc1F ZINC000876546278 634854927 /nfs/dbraw/zinc/85/49/27/634854927.db2.gz HFJYEBHZBUGNGL-GFCCVEGCSA-N 1 1 264.344 3.206 20 30 CGEDMO N#Cc1cnc(Cl)c(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c1 ZINC000876639727 634873527 /nfs/dbraw/zinc/87/35/27/634873527.db2.gz XEQYVULJNRVEDY-GXTWGEPZSA-N 1 1 275.783 3.371 20 30 CGEDMO C#CCCCCCC[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000876679696 634880000 /nfs/dbraw/zinc/88/00/00/634880000.db2.gz IQVBDOKKSXCCES-MRXNPFEDSA-N 1 1 259.397 3.104 20 30 CGEDMO C=C[C@](C)(CCOC)C(=O)OC[C@@H]1CCCC[N@H+]1C(C)C ZINC000837656026 634959365 /nfs/dbraw/zinc/95/93/65/634959365.db2.gz LRJOSBOPCGCFEW-DOTOQJQBSA-N 1 1 297.439 3.021 20 30 CGEDMO CC[C@@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1ccncc1 ZINC000877059334 634966659 /nfs/dbraw/zinc/96/66/59/634966659.db2.gz VDTLWTPPVPHYAH-CQSZACIVSA-N 1 1 286.766 3.243 20 30 CGEDMO CSCC[C@@H](C)[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC000126352614 634986196 /nfs/dbraw/zinc/98/61/96/634986196.db2.gz SREYTPHADOSAAL-CQSZACIVSA-N 1 1 292.448 3.401 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@](C)(OC)CC1 ZINC000877491183 635058241 /nfs/dbraw/zinc/05/82/41/635058241.db2.gz HHNURYKFLPPSPB-INIZCTEOSA-N 1 1 251.414 3.461 20 30 CGEDMO C[C@@]12C[N@@H+](Cc3cc(C#N)cnc3Cl)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000877563237 635092380 /nfs/dbraw/zinc/09/23/80/635092380.db2.gz IVRZUJKFCQNIDX-DYWXZXKOSA-N 1 1 299.805 3.251 20 30 CGEDMO N#Cc1cnc(Cl)c(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000877567419 635095110 /nfs/dbraw/zinc/09/51/10/635095110.db2.gz XQJHVWNBFMZNRH-BETUJISGSA-N 1 1 275.783 3.229 20 30 CGEDMO CCC[N@@H+](Cc1cc(C#N)cnc1Cl)C(C)C ZINC000877617932 635115055 /nfs/dbraw/zinc/11/50/55/635115055.db2.gz ZXRSJGFKSSKDQA-UHFFFAOYSA-N 1 1 251.761 3.227 20 30 CGEDMO Cc1cc(C)cc(CC[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000877622114 635117977 /nfs/dbraw/zinc/11/79/77/635117977.db2.gz GBTPWQYRWPOAPG-INIZCTEOSA-N 1 1 256.393 3.472 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cc3ccccc3n2C)C1 ZINC000877649648 635131148 /nfs/dbraw/zinc/13/11/48/635131148.db2.gz DJYLTQHNHZCBSL-AWEZNQCLSA-N 1 1 252.361 3.024 20 30 CGEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CCCC(F)(F)CC1 ZINC000877652920 635133114 /nfs/dbraw/zinc/13/31/14/635133114.db2.gz QDDWMZZCPNCGPB-UHFFFAOYSA-N 1 1 293.361 3.245 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1cc(C2CC2)no1 ZINC000877703944 635155569 /nfs/dbraw/zinc/15/55/69/635155569.db2.gz CFBMISPQJHENEW-UHFFFAOYSA-N 1 1 281.359 3.098 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000877741058 635177329 /nfs/dbraw/zinc/17/73/29/635177329.db2.gz URMJICQJHDWTDN-OLZOCXBDSA-N 1 1 252.427 3.001 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CC[C@@H](C(F)(F)F)O1 ZINC000877823812 635228427 /nfs/dbraw/zinc/22/84/27/635228427.db2.gz NLOYMMHRFGAIHR-RISCZKNCSA-N 1 1 298.308 3.100 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@@H](C(F)(F)F)O1 ZINC000877823812 635228432 /nfs/dbraw/zinc/22/84/32/635228432.db2.gz NLOYMMHRFGAIHR-RISCZKNCSA-N 1 1 298.308 3.100 20 30 CGEDMO C#C[C@@H]([NH2+][C@H]1COC(C)(C)C1)c1ccc(Cl)cc1F ZINC000841885537 635246386 /nfs/dbraw/zinc/24/63/86/635246386.db2.gz FYFCLCLLAZGRME-BXUZGUMPSA-N 1 1 281.758 3.311 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@H](C)[C@H](C)[C@H]2C)cc1 ZINC000841891093 635247954 /nfs/dbraw/zinc/24/79/54/635247954.db2.gz UMJGVOWNRIQMHS-LJISPDSOSA-N 1 1 272.392 3.454 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)Cc1nocc1C ZINC000878001557 635315544 /nfs/dbraw/zinc/31/55/44/635315544.db2.gz UURKKDZDBOVWDB-UHFFFAOYSA-N 1 1 256.349 3.214 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1nocc1C ZINC000878001557 635315552 /nfs/dbraw/zinc/31/55/52/635315552.db2.gz UURKKDZDBOVWDB-UHFFFAOYSA-N 1 1 256.349 3.214 20 30 CGEDMO C=C1CC[NH+](CC[C@@](C#N)(C(C)=O)c2ccccc2)CC1 ZINC000878086730 635350045 /nfs/dbraw/zinc/35/00/45/635350045.db2.gz ANNKRWLMWGIDPC-GOSISDBHSA-N 1 1 282.387 3.079 20 30 CGEDMO C#CCCCCC[N@H+]1CCOC[C@H]1c1ccc(C)o1 ZINC000878114099 635362551 /nfs/dbraw/zinc/36/25/51/635362551.db2.gz TVCVPEIJVPMHPE-HNNXBMFYSA-N 1 1 261.365 3.155 20 30 CGEDMO C#CCCCCC[N@@H+]1CCOC[C@H]1c1ccc(C)o1 ZINC000878114099 635362560 /nfs/dbraw/zinc/36/25/60/635362560.db2.gz TVCVPEIJVPMHPE-HNNXBMFYSA-N 1 1 261.365 3.155 20 30 CGEDMO CC[N@@H+](C[C@@H](O)c1ccc(C)cc1)CC1(CC#N)CC1 ZINC000878148310 635379499 /nfs/dbraw/zinc/37/94/99/635379499.db2.gz GFFIEJVZQNJSFA-MRXNPFEDSA-N 1 1 272.392 3.044 20 30 CGEDMO N#CCC1(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)CC1 ZINC000878174159 635394782 /nfs/dbraw/zinc/39/47/82/635394782.db2.gz KOGHTJJDTYWUFH-KGLIPLIRSA-N 1 1 290.432 3.330 20 30 CGEDMO CN(C)c1ccc(C=[NH+]NC23CC(C2)C3)c(C(F)(F)F)c1 ZINC000842547641 635400240 /nfs/dbraw/zinc/40/02/40/635400240.db2.gz URZZUHOCRQEHLJ-UHFFFAOYSA-N 1 1 297.324 3.247 20 30 CGEDMO C#CCCCCC[N@H+](C)C[C@H](C)c1nccs1 ZINC000878407721 635493274 /nfs/dbraw/zinc/49/32/74/635493274.db2.gz ZKYHJTPETAXUDL-ZDUSSCGKSA-N 1 1 250.411 3.372 20 30 CGEDMO C=CC(C)(C)CC(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000878436063 635508142 /nfs/dbraw/zinc/50/81/42/635508142.db2.gz ZHMHORAVSZNGFP-UHFFFAOYSA-N 1 1 297.402 3.399 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000878755361 635623327 /nfs/dbraw/zinc/62/33/27/635623327.db2.gz DMWMKUYJCVUKGJ-OAHLLOKOSA-N 1 1 295.361 3.472 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000878755361 635623331 /nfs/dbraw/zinc/62/33/31/635623331.db2.gz DMWMKUYJCVUKGJ-OAHLLOKOSA-N 1 1 295.361 3.472 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2scnc2Cl)C1 ZINC000878760149 635624802 /nfs/dbraw/zinc/62/48/02/635624802.db2.gz FGKLRIZPGAFZSR-SNVBAGLBSA-N 1 1 254.786 3.032 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000878910816 635655740 /nfs/dbraw/zinc/65/57/40/635655740.db2.gz VSVHTVGHRJNHSA-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000843423320 635666566 /nfs/dbraw/zinc/66/65/66/635666566.db2.gz CFPHSMSEZONZCK-AWEZNQCLSA-N 1 1 297.427 3.440 20 30 CGEDMO C#CCCCCC[N@H+](C)Cc1c(C)nn(CC)c1C ZINC000879118094 635706617 /nfs/dbraw/zinc/70/66/17/635706617.db2.gz AJAQCUHYQUJJEW-UHFFFAOYSA-N 1 1 261.413 3.145 20 30 CGEDMO Cc1cc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)ccc1N(C)C ZINC000879309759 635752758 /nfs/dbraw/zinc/75/27/58/635752758.db2.gz PZERUIURTIWBQF-WBVHZDCISA-N 1 1 271.408 3.185 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879566525 635812758 /nfs/dbraw/zinc/81/27/58/635812758.db2.gz VZQAKCNAQHGEAL-KBPBESRZSA-N 1 1 266.454 3.391 20 30 CGEDMO CCc1ccccc1C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844372452 635884251 /nfs/dbraw/zinc/88/42/51/635884251.db2.gz ZBVVCEUOSDPCNO-IBGZPJMESA-N 1 1 294.398 3.286 20 30 CGEDMO C#CCC[N@@H+]1CCCC[C@H]1Cc1ccc(OC)cc1 ZINC000844413614 635893768 /nfs/dbraw/zinc/89/37/68/635893768.db2.gz LKLVUAXQQMOVIP-INIZCTEOSA-N 1 1 257.377 3.116 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000880002606 635895249 /nfs/dbraw/zinc/89/52/49/635895249.db2.gz MKZYLKAYZMDMKD-CQSZACIVSA-N 1 1 298.308 3.341 20 30 CGEDMO C[C@]1(C(F)(F)F)CC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000880003209 635896074 /nfs/dbraw/zinc/89/60/74/635896074.db2.gz BNUCNFWDLDMJPE-AWEZNQCLSA-N 1 1 282.309 3.375 20 30 CGEDMO C=C(C)CON=C(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000844618143 635942951 /nfs/dbraw/zinc/94/29/51/635942951.db2.gz JABSTPNXUOVBSJ-QGZVFWFLSA-N 1 1 272.392 3.477 20 30 CGEDMO C=C[C@H](C)ON=C(C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000844621708 635943888 /nfs/dbraw/zinc/94/38/88/635943888.db2.gz LMBOSSCNAPASFN-LBPRGKRZSA-N 1 1 269.348 3.496 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CC[C@H](c3nccs3)C2)cc1 ZINC000880322245 635975925 /nfs/dbraw/zinc/97/59/25/635975925.db2.gz FFHNUWFWMNJQOL-HNNXBMFYSA-N 1 1 283.400 3.047 20 30 CGEDMO C=CCCC[C@H]([NH2+]Cc1nnnn1C1CC1)c1ccccc1 ZINC000880388717 635991445 /nfs/dbraw/zinc/99/14/45/635991445.db2.gz NNZZEOZCTCYISA-INIZCTEOSA-N 1 1 297.406 3.195 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCC[C@H](C3CCOCC3)C2)o1 ZINC000880577384 636025491 /nfs/dbraw/zinc/02/54/91/636025491.db2.gz KCDKOVJLCJFAGI-HNNXBMFYSA-N 1 1 288.391 3.180 20 30 CGEDMO CN(C)c1ccc(C[NH2+]CC2(C#N)CCCC2)cc1F ZINC000846009669 636129153 /nfs/dbraw/zinc/12/91/53/636129153.db2.gz AMAZSKSQVLAQKD-UHFFFAOYSA-N 1 1 275.371 3.065 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2C[C@@H](CC)OC[C@H]2C)cc1 ZINC000846042914 636137405 /nfs/dbraw/zinc/13/74/05/636137405.db2.gz HNYCPNYYHVOOKX-NVXWUHKLSA-N 1 1 287.403 3.088 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2C[C@@H](CC)OC[C@H]2C)cc1 ZINC000846042914 636137407 /nfs/dbraw/zinc/13/74/07/636137407.db2.gz HNYCPNYYHVOOKX-NVXWUHKLSA-N 1 1 287.403 3.088 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)cc1 ZINC000846106345 636144135 /nfs/dbraw/zinc/14/41/35/636144135.db2.gz AAOPLCQGGMHOMN-INIZCTEOSA-N 1 1 291.341 3.320 20 30 CGEDMO C=C[C@@H](C)ONC(=O)c1ccc(C[N@H+](CC)CCC)cc1 ZINC000846548189 636198935 /nfs/dbraw/zinc/19/89/35/636198935.db2.gz DJJMKVLEPDCGDI-CQSZACIVSA-N 1 1 290.407 3.154 20 30 CGEDMO CCOC(C[N@@H+](CC)[C@@H](C)c1cccc(C#N)c1)OCC ZINC000846976787 636298474 /nfs/dbraw/zinc/29/84/74/636298474.db2.gz SBUSXCDOLDDBCZ-AWEZNQCLSA-N 1 1 290.407 3.340 20 30 CGEDMO CCOC(C[N@@H+](CC)Cc1ccc(C#N)cc1C)OCC ZINC000846977278 636298742 /nfs/dbraw/zinc/29/87/42/636298742.db2.gz UMPDCOHSSADFRI-UHFFFAOYSA-N 1 1 290.407 3.088 20 30 CGEDMO CCOC(C[N@@H+](CC)[C@H](C)c1cccc(C#N)c1)OCC ZINC000846976791 636298856 /nfs/dbraw/zinc/29/88/56/636298856.db2.gz SBUSXCDOLDDBCZ-CQSZACIVSA-N 1 1 290.407 3.340 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3C)o2)C1 ZINC000847023739 636315628 /nfs/dbraw/zinc/31/56/28/636315628.db2.gz FJARVVKNLWIMNL-HNNXBMFYSA-N 1 1 280.371 3.495 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ncc(-c3ccccc3C)o2)C1 ZINC000847023739 636315634 /nfs/dbraw/zinc/31/56/34/636315634.db2.gz FJARVVKNLWIMNL-HNNXBMFYSA-N 1 1 280.371 3.495 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(SC)c(OC)c2)C1 ZINC000847026584 636317591 /nfs/dbraw/zinc/31/75/91/636317591.db2.gz QCEJODGFQBDYKG-ZDUSSCGKSA-N 1 1 275.417 3.262 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C(C)C)c2)C1 ZINC000847032668 636318825 /nfs/dbraw/zinc/31/88/25/636318825.db2.gz YJOYYXSKNXZMHW-OAHLLOKOSA-N 1 1 284.403 3.094 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(C(C)C)c2)C1 ZINC000847032668 636318828 /nfs/dbraw/zinc/31/88/28/636318828.db2.gz YJOYYXSKNXZMHW-OAHLLOKOSA-N 1 1 284.403 3.094 20 30 CGEDMO C=C[C@H](CC(=O)OCC[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000847823318 636459427 /nfs/dbraw/zinc/45/94/27/636459427.db2.gz LGWLFQROKUAYHX-HZPDHXFCSA-N 1 1 287.403 3.231 20 30 CGEDMO C=CCC[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)[C@H]1CCCO1 ZINC000883201185 636581743 /nfs/dbraw/zinc/58/17/43/636581743.db2.gz ZWBLNVOZMMBDMP-IAGOWNOFSA-N 1 1 294.483 3.353 20 30 CGEDMO COc1cc(C)cc(C[N@@H+]2Cc3ccc(C#N)cc3C2)c1O ZINC000848503196 636581912 /nfs/dbraw/zinc/58/19/12/636581912.db2.gz ZPBFNBRFZPWAJE-UHFFFAOYSA-N 1 1 294.354 3.097 20 30 CGEDMO COc1cc(C)cc(C[N@H+]2Cc3ccc(C#N)cc3C2)c1O ZINC000848503196 636581917 /nfs/dbraw/zinc/58/19/17/636581917.db2.gz ZPBFNBRFZPWAJE-UHFFFAOYSA-N 1 1 294.354 3.097 20 30 CGEDMO C=CC[C@H]([NH2+]Cc1cc2n(n1)CCCC2)c1ccncc1 ZINC000848538326 636595906 /nfs/dbraw/zinc/59/59/06/636595906.db2.gz WYTPZGXJGIGMOR-KRWDZBQOSA-N 1 1 282.391 3.021 20 30 CGEDMO CCC[C@@H](C)c1noc([C@H]([NH3+])CCCCC#N)n1 ZINC000848621865 636617590 /nfs/dbraw/zinc/61/75/90/636617590.db2.gz PDMGYIIUXXRODJ-GHMZBOCLSA-N 1 1 250.346 3.057 20 30 CGEDMO CCC[C@@H](C)c1noc([C@@H]([NH3+])CCCCC#N)n1 ZINC000848621866 636617726 /nfs/dbraw/zinc/61/77/26/636617726.db2.gz PDMGYIIUXXRODJ-MNOVXSKESA-N 1 1 250.346 3.057 20 30 CGEDMO CC(C)c1ccc(-c2noc([C@@H]([NH3+])CCCCC#N)n2)cn1 ZINC000848628838 636623516 /nfs/dbraw/zinc/62/35/16/636623516.db2.gz SAGSUGDULPVKOV-ZDUSSCGKSA-N 1 1 299.378 3.339 20 30 CGEDMO C#C[C@H]1CCCN(c2[nH+]ccc3ccc(C)cc32)C1 ZINC000848748606 636648488 /nfs/dbraw/zinc/64/84/88/636648488.db2.gz IZBHZNAUFUWIED-AWEZNQCLSA-N 1 1 250.345 3.393 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2C)C1 ZINC000848923301 636694096 /nfs/dbraw/zinc/69/40/96/636694096.db2.gz IMBMBYXOUZZQQX-MRXNPFEDSA-N 1 1 279.387 3.026 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000848923598 636694634 /nfs/dbraw/zinc/69/46/34/636694634.db2.gz GVGZBYJWLYMGOP-AWEZNQCLSA-N 1 1 285.387 3.177 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000848923745 636695899 /nfs/dbraw/zinc/69/58/99/636695899.db2.gz IZOGSAXRKOLLTK-SNVBAGLBSA-N 1 1 267.731 3.030 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000848923745 636695901 /nfs/dbraw/zinc/69/59/01/636695901.db2.gz IZOGSAXRKOLLTK-SNVBAGLBSA-N 1 1 267.731 3.030 20 30 CGEDMO Cc1ccc(-c2cc(CO[NH+]=C(N)CC(C)C)on2)cc1 ZINC000109316969 637044617 /nfs/dbraw/zinc/04/46/17/637044617.db2.gz ZXKXHXHJNGDZLM-UHFFFAOYSA-N 1 1 287.363 3.485 20 30 CGEDMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000885929489 637316323 /nfs/dbraw/zinc/31/63/23/637316323.db2.gz QQSZSDVUGIIOMJ-BBRMVZONSA-N 1 1 290.382 3.263 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCC2(CCC2)CO1 ZINC000885938389 637321499 /nfs/dbraw/zinc/32/14/99/637321499.db2.gz YWGHJKMKRYBQPK-KRWDZBQOSA-N 1 1 284.403 3.339 20 30 CGEDMO CCCCC[N@@H+](C[C@@H](O)CC1(C#N)CCC1)C(C)C ZINC000885951835 637327581 /nfs/dbraw/zinc/32/75/81/637327581.db2.gz QCPJJOFZXIDOEG-HNNXBMFYSA-N 1 1 266.429 3.332 20 30 CGEDMO N#CC1(C[C@H](O)C[N@@H+](C2CC2)C2CCCCC2)CCC1 ZINC000885956072 637330850 /nfs/dbraw/zinc/33/08/50/637330850.db2.gz HGUXCOLZTSWWBL-INIZCTEOSA-N 1 1 276.424 3.228 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H]1C[C@@]12CCOC2 ZINC000885963735 637334935 /nfs/dbraw/zinc/33/49/35/637334935.db2.gz PXWCDHBKDSLKSC-SJLPKXTDSA-N 1 1 287.403 3.110 20 30 CGEDMO C[C@H](C[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1)c1ccccc1 ZINC000885981517 637341618 /nfs/dbraw/zinc/34/16/18/637341618.db2.gz HTFWZBUNDGXTSX-WBVHZDCISA-N 1 1 286.419 3.167 20 30 CGEDMO C[C@@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCC2)[C@@H]1c1ccccc1 ZINC000886033358 637376599 /nfs/dbraw/zinc/37/65/99/637376599.db2.gz SZFZMYJWHNFNCT-PVAVHDDUSA-N 1 1 284.403 3.124 20 30 CGEDMO CC(C)C[C@H]1CCC[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886040213 637381353 /nfs/dbraw/zinc/38/13/53/637381353.db2.gz UMURRHZLHNCZEH-HZPDHXFCSA-N 1 1 278.440 3.189 20 30 CGEDMO CCCCC[C@@H]1CCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886043778 637384387 /nfs/dbraw/zinc/38/43/87/637384387.db2.gz JORVORIVKJXSTR-HZPDHXFCSA-N 1 1 278.440 3.476 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@H]3C[C@]34CCOC4)CC2)cc1 ZINC000886100532 637412628 /nfs/dbraw/zinc/41/26/28/637412628.db2.gz QDEQIFPWKQSMIK-MOPGFXCFSA-N 1 1 294.398 3.074 20 30 CGEDMO C[C@@H]1c2sccc2CC[N@@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886318037 637498473 /nfs/dbraw/zinc/49/84/73/637498473.db2.gz IALHSRRIPRIMKT-TZMCWYRMSA-N 1 1 290.432 3.112 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000886353992 637508834 /nfs/dbraw/zinc/50/88/34/637508834.db2.gz UFOZKTKQTHGMLV-AWEZNQCLSA-N 1 1 266.344 3.187 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000886357030 637510632 /nfs/dbraw/zinc/51/06/32/637510632.db2.gz ABELGPCOFOYQQC-ZDUSSCGKSA-N 1 1 288.778 3.088 20 30 CGEDMO C#CC[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000886355525 637511210 /nfs/dbraw/zinc/51/12/10/637511210.db2.gz JWACMTHILZWRKL-IAGOWNOFSA-N 1 1 298.430 3.284 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2ccc(Cl)nc2Cl)C1 ZINC000886363821 637514124 /nfs/dbraw/zinc/51/41/24/637514124.db2.gz DRNYOGWDIZXKGF-JTQLQIEISA-N 1 1 269.175 3.234 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(Cl)nc2Cl)C1 ZINC000886363821 637514127 /nfs/dbraw/zinc/51/41/27/637514127.db2.gz DRNYOGWDIZXKGF-JTQLQIEISA-N 1 1 269.175 3.234 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H]3C[C@@H]32)c(C(F)(F)F)c1 ZINC000851877781 637528887 /nfs/dbraw/zinc/52/88/87/637528887.db2.gz RDACFMZAQQYPQA-MFKMUULPSA-N 1 1 266.266 3.171 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3C[C@@H]32)c(C(F)(F)F)c1 ZINC000851877781 637528892 /nfs/dbraw/zinc/52/88/92/637528892.db2.gz RDACFMZAQQYPQA-MFKMUULPSA-N 1 1 266.266 3.171 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+]Cc1csc(-c2ccoc2)n1 ZINC000852102023 637595215 /nfs/dbraw/zinc/59/52/15/637595215.db2.gz JPISNUQUSOETLF-AWEZNQCLSA-N 1 1 260.362 3.295 20 30 CGEDMO N#Cc1cnccc1C[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886618896 637611647 /nfs/dbraw/zinc/61/16/47/637611647.db2.gz NSVYHEPBTDZYFU-KBPBESRZSA-N 1 1 295.308 3.118 20 30 CGEDMO N#Cc1cnccc1C[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886618896 637611653 /nfs/dbraw/zinc/61/16/53/637611653.db2.gz NSVYHEPBTDZYFU-KBPBESRZSA-N 1 1 295.308 3.118 20 30 CGEDMO C#C[C@H]1CC[C@H]([NH2+][C@H](C)c2c(O)cccc2F)CC1 ZINC000886650221 637630013 /nfs/dbraw/zinc/63/00/13/637630013.db2.gz RSGIHJPMIHITNX-JHJVBQTASA-N 1 1 261.340 3.374 20 30 CGEDMO C[C@]1(C[N@H+]2CCC[C@H](CC#N)C2)CC1(Cl)Cl ZINC000852319735 637633377 /nfs/dbraw/zinc/63/33/77/637633377.db2.gz RFBCXIUSHYSINE-GHMZBOCLSA-N 1 1 261.196 3.196 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000852320738 637634475 /nfs/dbraw/zinc/63/44/75/637634475.db2.gz OGGBAXOMEVPHIV-WDEREUQCSA-N 1 1 261.196 3.196 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000852410199 637648745 /nfs/dbraw/zinc/64/87/45/637648745.db2.gz JPSKUWNPYSUUEW-CJNGLKHVSA-N 1 1 263.356 3.147 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H](Cc2nc(C)cs2)C1 ZINC000886691768 637657041 /nfs/dbraw/zinc/65/70/41/637657041.db2.gz LXIRRGANGVLXIL-LBPRGKRZSA-N 1 1 270.829 3.459 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](Cc2nc(C)cs2)C1 ZINC000886691768 637657045 /nfs/dbraw/zinc/65/70/45/637657045.db2.gz LXIRRGANGVLXIL-LBPRGKRZSA-N 1 1 270.829 3.459 20 30 CGEDMO C=CCC1(O)CC[NH+](Cc2cc(C(F)(F)F)co2)CC1 ZINC000886780530 637686046 /nfs/dbraw/zinc/68/60/46/637686046.db2.gz QQNBUPIJKYZHQR-UHFFFAOYSA-N 1 1 289.297 3.201 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000852681623 637694406 /nfs/dbraw/zinc/69/44/06/637694406.db2.gz UPPJCJDJVXXSLY-GOSISDBHSA-N 1 1 296.345 3.351 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000852681623 637694416 /nfs/dbraw/zinc/69/44/16/637694416.db2.gz UPPJCJDJVXXSLY-GOSISDBHSA-N 1 1 296.345 3.351 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc2c1OCCO2 ZINC000852686385 637695713 /nfs/dbraw/zinc/69/57/13/637695713.db2.gz SPAZJSCRJUATQK-GASCZTMLSA-N 1 1 271.360 3.141 20 30 CGEDMO C#Cc1cccnc1N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000853228186 637787270 /nfs/dbraw/zinc/78/72/70/637787270.db2.gz GNJYRKOMYTVUKE-MAUKXSAKSA-N 1 1 291.398 3.310 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cn2ccc(-c3ccc(F)cc3)n2)C1 ZINC000853524726 637861699 /nfs/dbraw/zinc/86/16/99/637861699.db2.gz OSLIGPLYSIFMRD-AWEZNQCLSA-N 1 1 298.365 3.272 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cn2ccc(-c3ccc(F)cc3)n2)C1 ZINC000853524726 637861702 /nfs/dbraw/zinc/86/17/02/637861702.db2.gz OSLIGPLYSIFMRD-AWEZNQCLSA-N 1 1 298.365 3.272 20 30 CGEDMO C#Cc1cccc(NC(=O)NCC[N@@H+]2CCCC[C@@H]2CC)c1 ZINC000113535569 638228171 /nfs/dbraw/zinc/22/81/71/638228171.db2.gz WZMXZKBSAJTFFN-KRWDZBQOSA-N 1 1 299.418 3.054 20 30 CGEDMO CC[C@@H](C)[N@@H+](CCCCC1(C#N)CCC1)CC(=O)OC ZINC000930306854 638274891 /nfs/dbraw/zinc/27/48/91/638274891.db2.gz MJUHZBGGSTZIRG-CQSZACIVSA-N 1 1 280.412 3.124 20 30 CGEDMO CC[C@H]([NH2+]Cc1ccoc1C)c1cccc(C#N)c1O ZINC000924823415 638409414 /nfs/dbraw/zinc/40/94/14/638409414.db2.gz BBYUTTDKSOOWCF-HNNXBMFYSA-N 1 1 270.332 3.406 20 30 CGEDMO C=CCCN(C)C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857189150 638469031 /nfs/dbraw/zinc/46/90/31/638469031.db2.gz WKOWDQXLGJANHU-KRWDZBQOSA-N 1 1 286.419 3.144 20 30 CGEDMO CC[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1cccc(OC)n1 ZINC000925474427 638507617 /nfs/dbraw/zinc/50/76/17/638507617.db2.gz JISHFMOQYDIEFU-OAHLLOKOSA-N 1 1 299.349 3.342 20 30 CGEDMO C=C(C[NH2+][C@@H]1CCCc2c[nH]nc21)c1ccccc1 ZINC000857849786 638576640 /nfs/dbraw/zinc/57/66/40/638576640.db2.gz NJIDNWYMUMGVML-OAHLLOKOSA-N 1 1 253.349 3.090 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858047190 638621541 /nfs/dbraw/zinc/62/15/41/638621541.db2.gz JLPOMGVTSHEESY-INIZCTEOSA-N 1 1 272.392 3.378 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858048173 638622118 /nfs/dbraw/zinc/62/21/18/638622118.db2.gz QBXBPSJIFKIYMZ-INIZCTEOSA-N 1 1 272.392 3.378 20 30 CGEDMO CCCCCCCNC(=O)N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000858110978 638631200 /nfs/dbraw/zinc/63/12/00/638631200.db2.gz OBTONCYRMPIERE-MRXNPFEDSA-N 1 1 297.487 3.330 20 30 CGEDMO COc1ccc(C[NH2+][C@H]2CCCc3scnc32)cc1C#N ZINC000858383938 638699878 /nfs/dbraw/zinc/69/98/78/638699878.db2.gz ZCVIQPSGDSCOKR-ZDUSSCGKSA-N 1 1 299.399 3.191 20 30 CGEDMO C[C@@H]([NH2+][C@H]1CCCc2cccnc21)c1cccc(C#N)c1O ZINC000927062683 638836652 /nfs/dbraw/zinc/83/66/52/638836652.db2.gz OFQFZFUCSTWYEE-WBMJQRKESA-N 1 1 293.370 3.387 20 30 CGEDMO N#Cc1cncc(C[N@@H+](Cc2ccc(F)cc2)C2CC2)c1 ZINC000929095593 638898302 /nfs/dbraw/zinc/89/83/02/638898302.db2.gz YMQDILWNQJVTRZ-UHFFFAOYSA-N 1 1 281.334 3.257 20 30 CGEDMO N#Cc1cncc(C[N@H+](Cc2ccc(F)cc2)C2CC2)c1 ZINC000929095593 638898304 /nfs/dbraw/zinc/89/83/04/638898304.db2.gz YMQDILWNQJVTRZ-UHFFFAOYSA-N 1 1 281.334 3.257 20 30 CGEDMO COc1ccc(C[N@@H+](Cc2cncc(C#N)c2)C2CC2)cc1 ZINC000929135042 638901886 /nfs/dbraw/zinc/90/18/86/638901886.db2.gz BFRQBKXRNOLWTL-UHFFFAOYSA-N 1 1 293.370 3.126 20 30 CGEDMO Cc1ccccc1[C@H]1CC[N@@H+](Cc2cncc(C#N)c2)C1 ZINC000929457879 638926548 /nfs/dbraw/zinc/92/65/48/638926548.db2.gz LJYBPBRBWDXKKV-KRWDZBQOSA-N 1 1 277.371 3.251 20 30 CGEDMO CC[C@H](C)[C@@H](C)[N@@H+](Cc1cncc(C#N)c1)C1CC1 ZINC000929528153 638930749 /nfs/dbraw/zinc/93/07/49/638930749.db2.gz ABVZTTTVBMOQLC-QWHCGFSZSA-N 1 1 257.381 3.352 20 30 CGEDMO CCOC[C@@H]1CCC[N@@H+](Cc2c(C)cc(C#N)cc2C)C1 ZINC000929644108 638936985 /nfs/dbraw/zinc/93/69/85/638936985.db2.gz MZNZAIKKTYUOTJ-MRXNPFEDSA-N 1 1 286.419 3.424 20 30 CGEDMO N#Cc1cncc(C[N@@H+]2CCS[C@H](c3ccccc3)C2)c1 ZINC000929671686 638939390 /nfs/dbraw/zinc/93/93/90/638939390.db2.gz ALPJFKVYTDGZHH-KRWDZBQOSA-N 1 1 295.411 3.243 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCS[C@H](c3ccccc3)C2)c1 ZINC000929671686 638939393 /nfs/dbraw/zinc/93/93/93/638939393.db2.gz ALPJFKVYTDGZHH-KRWDZBQOSA-N 1 1 295.411 3.243 20 30 CGEDMO CCO[C@H]1CCC[N@@H+](Cc2c(C)cc(C#N)cc2C)C1 ZINC000929677558 638940601 /nfs/dbraw/zinc/94/06/01/638940601.db2.gz CGIKYVRTBFIBPU-INIZCTEOSA-N 1 1 272.392 3.176 20 30 CGEDMO N#CC1(CCCC[N@H+](CCCCO)C2CC2)CCC1 ZINC000929700335 638942240 /nfs/dbraw/zinc/94/22/40/638942240.db2.gz CWKRXYHRZYNRAI-UHFFFAOYSA-N 1 1 264.413 3.087 20 30 CGEDMO C[N@@H+](CCCCC1(C#N)CCC1)CCOCC1CC1 ZINC000929826347 638954620 /nfs/dbraw/zinc/95/46/20/638954620.db2.gz UVXXJJCMMUCMSX-UHFFFAOYSA-N 1 1 264.413 3.209 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000930071410 638972262 /nfs/dbraw/zinc/97/22/62/638972262.db2.gz GRMMBNKURNHTJQ-HUUCEWRRSA-N 1 1 290.794 3.070 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000930072733 638972462 /nfs/dbraw/zinc/97/24/62/638972462.db2.gz VEWBRKJFTOCWSG-IAGOWNOFSA-N 1 1 284.403 3.034 20 30 CGEDMO CC[C@@H]([NH2+]Cc1cncc(C#N)c1)c1ccc(F)cc1F ZINC000930222665 638984243 /nfs/dbraw/zinc/98/42/43/638984243.db2.gz QKTOCCOQYGFATE-MRXNPFEDSA-N 1 1 287.313 3.472 20 30 CGEDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000930266947 638986986 /nfs/dbraw/zinc/98/69/86/638986986.db2.gz DDAODASQFQBGDT-LRDDRELGSA-N 1 1 292.810 3.337 20 30 CGEDMO CC(C)c1ncc(C[N@@H+](C)CC2CCC(C#N)CC2)cn1 ZINC000930321171 638990854 /nfs/dbraw/zinc/99/08/54/638990854.db2.gz GCFUMBAPJJDBFN-UHFFFAOYSA-N 1 1 286.423 3.362 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@]3(C2)CCCOC3)c1 ZINC000930377379 638993825 /nfs/dbraw/zinc/99/38/25/638993825.db2.gz SUIZOCXBGHQMOM-INIZCTEOSA-N 1 1 290.794 3.214 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCOC[C@H](C3CCC3)C2)CC1 ZINC000930556576 639023695 /nfs/dbraw/zinc/02/36/95/639023695.db2.gz XXYVQMJFFUGXFM-VMBOVVBDSA-N 1 1 276.424 3.065 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCc1ccns1 ZINC000930762936 639065539 /nfs/dbraw/zinc/06/55/39/639065539.db2.gz AIBOUZZPRDXXFH-GFCCVEGCSA-N 1 1 271.389 3.250 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCc1ccns1 ZINC000930762937 639065901 /nfs/dbraw/zinc/06/59/01/639065901.db2.gz AIBOUZZPRDXXFH-LBPRGKRZSA-N 1 1 271.389 3.250 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000931062274 639106151 /nfs/dbraw/zinc/10/61/51/639106151.db2.gz IBGLSRBPFSODFT-NNVHFGSQSA-N 1 1 253.336 3.461 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2nc3cc(C)ccc3s2)C1 ZINC000859336014 639131093 /nfs/dbraw/zinc/13/10/93/639131093.db2.gz JLNVHWDMMAOEKK-ZDUSSCGKSA-N 1 1 270.401 3.450 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(OC(C)=O)cc2)C1 ZINC000859445312 639143227 /nfs/dbraw/zinc/14/32/27/639143227.db2.gz FTKKELFBPYUITL-AWEZNQCLSA-N 1 1 259.349 3.010 20 30 CGEDMO C=CCC[N@@H+]1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000931386374 639144112 /nfs/dbraw/zinc/14/41/12/639144112.db2.gz QQRIAUTZQAVTPV-INIZCTEOSA-N 1 1 271.339 3.072 20 30 CGEDMO C=CCC[N@H+]1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000931386374 639144116 /nfs/dbraw/zinc/14/41/16/639144116.db2.gz QQRIAUTZQAVTPV-INIZCTEOSA-N 1 1 271.339 3.072 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3CSC[C@H]3C2)c1 ZINC000931547800 639167803 /nfs/dbraw/zinc/16/78/03/639167803.db2.gz HAXIUZSWWNQBDD-UONOGXRCSA-N 1 1 292.835 3.397 20 30 CGEDMO CC(C)(C)[C@H]1CSCC[N@H+]1Cc1ccc(C#N)o1 ZINC000931592841 639176320 /nfs/dbraw/zinc/17/63/20/639176320.db2.gz RKPPYTYDAJUQQO-CYBMUJFWSA-N 1 1 264.394 3.115 20 30 CGEDMO CC(C)(C)[C@@H]1CSCC[N@H+]1CCC(C)(C)C#N ZINC000931598032 639177450 /nfs/dbraw/zinc/17/74/50/639177450.db2.gz ZTWYXFIKTQSWFU-LBPRGKRZSA-N 1 1 254.443 3.390 20 30 CGEDMO COCC1([N@@H+](C)CCCCC2(C#N)CCC2)CCC1 ZINC000931622398 639182213 /nfs/dbraw/zinc/18/22/13/639182213.db2.gz KLRQCJNQKAECIN-UHFFFAOYSA-N 1 1 264.413 3.351 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931918499 639231124 /nfs/dbraw/zinc/23/11/24/639231124.db2.gz OLKZQENEBQVGAN-SNVBAGLBSA-N 1 1 251.267 3.319 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000931922566 639232606 /nfs/dbraw/zinc/23/26/06/639232606.db2.gz FEJANQRRURQPTA-DOTOQJQBSA-N 1 1 254.377 3.200 20 30 CGEDMO C#CC[N@H+](Cc1ccn(C2CCCC2)n1)C(C)(C)C ZINC000932464779 639337210 /nfs/dbraw/zinc/33/72/10/639337210.db2.gz LPLOLDIITYVJDZ-UHFFFAOYSA-N 1 1 259.397 3.232 20 30 CGEDMO C#CC[N@@H+](Cc1ccn(C2CCCC2)n1)C(C)(C)C ZINC000932464779 639337214 /nfs/dbraw/zinc/33/72/14/639337214.db2.gz LPLOLDIITYVJDZ-UHFFFAOYSA-N 1 1 259.397 3.232 20 30 CGEDMO C=CC[C@@H](OC(=O)Cn1c[nH+]cc1C)c1ccccc1 ZINC000860677418 639399986 /nfs/dbraw/zinc/39/99/86/639399986.db2.gz LCSGJOCWSJVWCA-OAHLLOKOSA-N 1 1 270.332 3.052 20 30 CGEDMO C[C@@]1(Cc2cccs2)CCC[N@H+]1CCOCCC#N ZINC000932925173 639401598 /nfs/dbraw/zinc/40/15/98/639401598.db2.gz AHMDNYWLVNGLBJ-HNNXBMFYSA-N 1 1 278.421 3.075 20 30 CGEDMO C#CCC1([NH2+]Cc2nnc(-c3ccc(C)cc3)o2)CCC1 ZINC000933303852 639437222 /nfs/dbraw/zinc/43/72/22/639437222.db2.gz SJONQFWWRLCQDN-UHFFFAOYSA-N 1 1 281.359 3.081 20 30 CGEDMO C[N@@H+](Cc1cccc(=O)[nH]1)Cc1ccccc1C(C)(C)C#N ZINC000933399011 639446559 /nfs/dbraw/zinc/44/65/59/639446559.db2.gz NVHYWRCBSCOSNO-UHFFFAOYSA-N 1 1 295.386 3.220 20 30 CGEDMO Cc1nc2ccccn2c1C[N@H+](C)Cc1cc(C#N)cs1 ZINC000933774693 639489546 /nfs/dbraw/zinc/48/95/46/639489546.db2.gz COTPIQGURVAYMA-UHFFFAOYSA-N 1 1 296.399 3.208 20 30 CGEDMO Cc1nc2ccccn2c1C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933774693 639489552 /nfs/dbraw/zinc/48/95/52/639489552.db2.gz COTPIQGURVAYMA-UHFFFAOYSA-N 1 1 296.399 3.208 20 30 CGEDMO CCCCCCC[N@@H+]1CCC[C@H]1c1ncc(OC)c(=O)[nH]1 ZINC000934273165 639570824 /nfs/dbraw/zinc/57/08/24/639570824.db2.gz KFVYZDWWFDPWKN-ZDUSSCGKSA-N 1 1 293.411 3.298 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H]1c1ncc(OC)c(=O)[nH]1 ZINC000934273165 639570834 /nfs/dbraw/zinc/57/08/34/639570834.db2.gz KFVYZDWWFDPWKN-ZDUSSCGKSA-N 1 1 293.411 3.298 20 30 CGEDMO C[C@@H]1CSCCC[N@H+]1CC1CCC(C#N)CC1 ZINC000934296229 639573032 /nfs/dbraw/zinc/57/30/32/639573032.db2.gz BTGJDOBKRJGZEL-IYXRBSQSSA-N 1 1 252.427 3.144 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](Cc3nccs3)C2)s1 ZINC000934330535 639587875 /nfs/dbraw/zinc/58/78/75/639587875.db2.gz OECHKYMARPAOTO-LLVKDONJSA-N 1 1 289.429 3.141 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1C[C@H](O)c1cccc(Cl)c1 ZINC000934468778 639614058 /nfs/dbraw/zinc/61/40/58/639614058.db2.gz JFHJHXWRXVWKRR-KBPBESRZSA-N 1 1 251.757 3.024 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1nc(-c2ccccc2C)no1 ZINC000934469992 639615920 /nfs/dbraw/zinc/61/59/20/639615920.db2.gz AJAFNJWTEFYYBY-CYBMUJFWSA-N 1 1 269.348 3.195 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1nc(-c2ccccc2C)no1 ZINC000934469992 639615924 /nfs/dbraw/zinc/61/59/24/639615924.db2.gz AJAFNJWTEFYYBY-CYBMUJFWSA-N 1 1 269.348 3.195 20 30 CGEDMO C=C(Br)C[NH2+][C@@H](C)c1cnn(CC2CCC2)c1 ZINC000934557606 639631944 /nfs/dbraw/zinc/63/19/44/639631944.db2.gz XIEYYDNWVJNLIK-NSHDSACASA-N 1 1 298.228 3.242 20 30 CGEDMO CCCOC(=O)[C@H](C)[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000159316511 640039601 /nfs/dbraw/zinc/03/96/01/640039601.db2.gz QUHJPUFEUFLLQA-KBPBESRZSA-N 1 1 288.391 3.283 20 30 CGEDMO CCCOC(=O)[C@H](C)[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000159316511 640039605 /nfs/dbraw/zinc/03/96/05/640039605.db2.gz QUHJPUFEUFLLQA-KBPBESRZSA-N 1 1 288.391 3.283 20 30 CGEDMO COc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)c(O)cc1C ZINC000159771279 640067413 /nfs/dbraw/zinc/06/74/13/640067413.db2.gz QAIGVYQJFUOHEF-UHFFFAOYSA-N 1 1 296.370 3.213 20 30 CGEDMO CC[N@H+](CCC#N)Cc1cc2c(cc1O)CCCC2 ZINC000159921829 640077790 /nfs/dbraw/zinc/07/77/90/640077790.db2.gz CMYBRDGSEWGLJQ-UHFFFAOYSA-N 1 1 258.365 3.007 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1cc2c(cc1O)CCCC2 ZINC000159921829 640077798 /nfs/dbraw/zinc/07/77/98/640077798.db2.gz CMYBRDGSEWGLJQ-UHFFFAOYSA-N 1 1 258.365 3.007 20 30 CGEDMO C[C@@H]1CSCC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000190418540 640245673 /nfs/dbraw/zinc/24/56/73/640245673.db2.gz RGOVRMDWWOZGCK-AWEZNQCLSA-N 1 1 290.432 3.012 20 30 CGEDMO C[C@H]1CC[N@@H+](CCCOc2ccc(C#N)cc2)CCS1 ZINC000192169543 640353657 /nfs/dbraw/zinc/35/36/57/640353657.db2.gz RAPMBLVEVLVVHD-AWEZNQCLSA-N 1 1 290.432 3.155 20 30 CGEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(C)s2)c1 ZINC000092143184 640731616 /nfs/dbraw/zinc/73/16/16/640731616.db2.gz DJCVCYBWCPUQJY-UHFFFAOYSA-N 1 1 298.411 3.108 20 30 CGEDMO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(C)s2)c1 ZINC000092143184 640731622 /nfs/dbraw/zinc/73/16/22/640731622.db2.gz DJCVCYBWCPUQJY-UHFFFAOYSA-N 1 1 298.411 3.108 20 30 CGEDMO Cc1cc(C)cc(NC(=[NH2+])NC[C@@H](CC(C)C)N(C)C)c1 ZINC000303781451 640843084 /nfs/dbraw/zinc/84/30/84/640843084.db2.gz MGXQEQCJCWNBGO-MRXNPFEDSA-N 1 1 290.455 3.006 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(C)c2)C1 ZINC001006647798 640937165 /nfs/dbraw/zinc/93/71/65/640937165.db2.gz AQGUVKJGLVZHMJ-QGZVFWFLSA-N 1 1 286.419 3.155 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)C=C2CCCCC2)C1 ZINC001006860973 640938052 /nfs/dbraw/zinc/93/80/52/640938052.db2.gz DAJXGKRPHMGHCW-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccc3occc3c2)C1 ZINC001007397883 640942372 /nfs/dbraw/zinc/94/23/72/640942372.db2.gz WAEZLQBDITZFJA-INIZCTEOSA-N 1 1 298.386 3.203 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2cscc2Cl)C1 ZINC001007560531 640944139 /nfs/dbraw/zinc/94/41/39/640944139.db2.gz JJIUVGGNFSFEQS-NSHDSACASA-N 1 1 298.839 3.172 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C)c(Cl)c2)C1 ZINC001008385675 640949626 /nfs/dbraw/zinc/94/96/26/640949626.db2.gz OINRKZPELZPVJR-CQSZACIVSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CCC[N@H+](CCC(C)C)C2)CC1 ZINC001008416181 640951111 /nfs/dbraw/zinc/95/11/11/640951111.db2.gz GPKUVWPGEVFCIF-KRWDZBQOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001008585593 640951796 /nfs/dbraw/zinc/95/17/96/640951796.db2.gz CSKJKRQEAFDEJK-IXDOHACOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)C2(C3CCCCC3)CC2)C1 ZINC001009350717 640958786 /nfs/dbraw/zinc/95/87/86/640958786.db2.gz GCLAVBOQIGFVES-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2cc(C)ccc2C)C1 ZINC001009326982 640958906 /nfs/dbraw/zinc/95/89/06/640958906.db2.gz LAQQWBLJDRORSP-MRXNPFEDSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(C)cc2C)C1 ZINC001009396333 640959141 /nfs/dbraw/zinc/95/91/41/640959141.db2.gz QZYCTXFTMKHTSE-MRXNPFEDSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)c2coc3ccccc23)C1 ZINC001009724944 640963332 /nfs/dbraw/zinc/96/33/32/640963332.db2.gz HBCBNBFQQJPXPQ-CQSZACIVSA-N 1 1 298.386 3.203 20 30 CGEDMO C#CC[C@@H](Nc1cc(C)[nH+]c(C)n1)c1ccccc1 ZINC000270248558 640972684 /nfs/dbraw/zinc/97/26/84/640972684.db2.gz ROPWVJACMUHOSC-OAHLLOKOSA-N 1 1 251.333 3.270 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C3CCC3)cc2)C1 ZINC001014639533 640974992 /nfs/dbraw/zinc/97/49/92/640974992.db2.gz LZYPXKIDPZCNHW-GOSISDBHSA-N 1 1 298.430 3.334 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CCC)C1 ZINC001015218092 640978291 /nfs/dbraw/zinc/97/82/91/640978291.db2.gz RSLZWOFMKOKZHZ-INIZCTEOSA-N 1 1 286.419 3.019 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2c(C)cccc2Cl)C1 ZINC001015655789 640984594 /nfs/dbraw/zinc/98/45/94/640984594.db2.gz YCFRZXHRJIDSQS-CYBMUJFWSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001015902457 640988667 /nfs/dbraw/zinc/98/86/67/640988667.db2.gz JNJKERUJSNVETA-BRWVUGGUSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccc(Cl)s2)C1 ZINC001016172524 640992532 /nfs/dbraw/zinc/99/25/32/640992532.db2.gz ZAZVRQPLKZITCN-LLVKDONJSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2CCC(CCCC)CC2)C1 ZINC001016191920 640993739 /nfs/dbraw/zinc/99/37/39/640993739.db2.gz YNOCDIGQYBWNEO-JCYILVPMSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC001016344445 640995819 /nfs/dbraw/zinc/99/58/19/640995819.db2.gz CRALAQBBMHJMRQ-QAPCUYQASA-N 1 1 298.430 3.028 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[C@H](C[N@H+](C)C(C)C)C2)CC1 ZINC001017200821 641009148 /nfs/dbraw/zinc/00/91/48/641009148.db2.gz SSCKQEOTSNDWAE-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)=C1CCCC1 ZINC001017464851 641013339 /nfs/dbraw/zinc/01/33/39/641013339.db2.gz AKTSQUYOKWWMBD-CALCHBBNSA-N 1 1 288.435 3.128 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@H](F)c1ccccc1 ZINC001155496533 805585656 /nfs/dbraw/zinc/58/56/56/805585656.db2.gz BVWMAAHJYZVNHU-GDBMZVCRSA-N 1 1 292.398 3.100 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)c1ccc(C)o1 ZINC001155703159 805604588 /nfs/dbraw/zinc/60/45/88/805604588.db2.gz BWVWRNJLDQIOLU-HIFRSBDPSA-N 1 1 292.423 3.094 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001155735155 805608537 /nfs/dbraw/zinc/60/85/37/805608537.db2.gz AHSBGIFFNFTYBL-VHDGCEQUSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001155735155 805608544 /nfs/dbraw/zinc/60/85/44/805608544.db2.gz AHSBGIFFNFTYBL-VHDGCEQUSA-N 1 1 298.858 3.002 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)C1CCCC1 ZINC001156306956 805674477 /nfs/dbraw/zinc/67/44/77/805674477.db2.gz XZYYAPZXQNWILF-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)CC(C)C ZINC001156341542 805676037 /nfs/dbraw/zinc/67/60/37/805676037.db2.gz HXMOVYSSAZZLOC-HUUCEWRRSA-N 1 1 268.445 3.071 20 30 CGEDMO C[N@H+]1CCC[C@@H](CCNc2nccc3ccc(C#N)cc32)C1 ZINC001156378930 805679978 /nfs/dbraw/zinc/67/99/78/805679978.db2.gz RFRIPMBNEWKJEL-AWEZNQCLSA-N 1 1 294.402 3.250 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](F)CC1CCCCC1 ZINC001156409770 805686948 /nfs/dbraw/zinc/68/69/48/805686948.db2.gz XSDNALDJMOTVRK-GDBMZVCRSA-N 1 1 298.446 3.308 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)CCc1ccccc1 ZINC001156567774 805713791 /nfs/dbraw/zinc/71/37/91/805713791.db2.gz VTCSULLTWDFUOU-MRXNPFEDSA-N 1 1 288.435 3.022 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(C)cc1 ZINC001156567808 805715699 /nfs/dbraw/zinc/71/56/99/805715699.db2.gz XSHIJVRSUXAIBG-MRXNPFEDSA-N 1 1 288.435 3.401 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)CCC1CCCCC1 ZINC001156705420 805728193 /nfs/dbraw/zinc/72/81/93/805728193.db2.gz NHMGPGCQOIWPMI-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)C(C)(CC)CC ZINC001156988446 805763297 /nfs/dbraw/zinc/76/32/97/805763297.db2.gz VYCUEPFGXCTLBS-CQSZACIVSA-N 1 1 268.445 3.215 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)CC(C)(C)C ZINC001157041718 805768717 /nfs/dbraw/zinc/76/87/17/805768717.db2.gz TYCTVQDBUMZMAG-CQSZACIVSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@]1(C)CC=C(C)CC1 ZINC001157063528 805771891 /nfs/dbraw/zinc/77/18/91/805771891.db2.gz SVRHNSHBWUFADI-WBVHZDCISA-N 1 1 278.440 3.136 20 30 CGEDMO Cc1ccc(-c2nc3ccc(C[NH+](C)C)cc3[nH]2)cc1C#N ZINC001250804045 805779030 /nfs/dbraw/zinc/77/90/30/805779030.db2.gz HLLYMUXFPMNBQM-UHFFFAOYSA-N 1 1 290.370 3.472 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](CCCC)C(C)C ZINC001157159186 805785836 /nfs/dbraw/zinc/78/58/36/805785836.db2.gz WQOOKGIDKYMKTG-IAGOWNOFSA-N 1 1 294.483 3.299 20 30 CGEDMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N(C)[C@@H](C)C#N)nc1 ZINC001157491491 805824255 /nfs/dbraw/zinc/82/42/55/805824255.db2.gz SQLUUWBVXVQCSV-GOEBONIOSA-N 1 1 286.423 3.367 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)CC ZINC001157546063 805831383 /nfs/dbraw/zinc/83/13/83/805831383.db2.gz QCAFXXOWSDABCI-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCN(c1cc[nH+]c(N2CCCCC2)n1)C(C)(C)C ZINC001157585751 805839497 /nfs/dbraw/zinc/83/94/97/805839497.db2.gz RESKNAIRKBGTMD-UHFFFAOYSA-N 1 1 274.412 3.258 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)C1CC1 ZINC001157761929 805866226 /nfs/dbraw/zinc/86/62/26/805866226.db2.gz IKRTWPLYPKLAGL-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO Cc1[nH+]c(NCc2cc(C(C)C)no2)ccc1CC#N ZINC001157995464 805911934 /nfs/dbraw/zinc/91/19/34/805911934.db2.gz IFXQSFZZHRJCFB-UHFFFAOYSA-N 1 1 270.336 3.180 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C1(F)CCCC1 ZINC001158155521 805924443 /nfs/dbraw/zinc/92/44/43/805924443.db2.gz XOGWOYXLFHNIJV-OAHLLOKOSA-N 1 1 296.430 3.158 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC1(C)C ZINC001158363944 805944192 /nfs/dbraw/zinc/94/41/92/805944192.db2.gz OCAHNPSNEAXKAL-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCCC1CC1 ZINC001158363792 805944834 /nfs/dbraw/zinc/94/48/34/805944834.db2.gz KTOBAVRAZKXACH-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCC1CC1 ZINC001158363205 805945285 /nfs/dbraw/zinc/94/52/85/805945285.db2.gz AUJMHWBFZJMYIF-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)C(C)C ZINC001158377963 805949072 /nfs/dbraw/zinc/94/90/72/805949072.db2.gz SRHSCHRQJKBKHI-HZPDHXFCSA-N 1 1 280.456 3.310 20 30 CGEDMO C=CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)C/C=C\Cl ZINC001158426933 805953856 /nfs/dbraw/zinc/95/38/56/805953856.db2.gz RXZKDQSUHXQKGJ-MEODZPNASA-N 1 1 298.858 3.408 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC12CC2 ZINC001158529906 805963553 /nfs/dbraw/zinc/96/35/53/805963553.db2.gz RYLKXNCGXMYRFS-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO CC[N@H+]1CCN(c2nccc3ccc(C#N)cc32)C(C)(C)C1 ZINC001158563100 805967993 /nfs/dbraw/zinc/96/79/93/805967993.db2.gz XEWKWPYNQBSSRK-UHFFFAOYSA-N 1 1 294.402 3.027 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)C(C)C ZINC001158553931 805965482 /nfs/dbraw/zinc/96/54/82/805965482.db2.gz DHPSJPUGFLNBQD-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+]1CCn2cccc2C1 ZINC001252128373 806012801 /nfs/dbraw/zinc/01/28/01/806012801.db2.gz MJKCXMMZSYEKEM-QGZVFWFLSA-N 1 1 278.440 3.415 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCn2cccc2C1 ZINC001252128373 806012809 /nfs/dbraw/zinc/01/28/09/806012809.db2.gz MJKCXMMZSYEKEM-QGZVFWFLSA-N 1 1 278.440 3.415 20 30 CGEDMO CCCCCCCC[C@H](O)CN1CCn2c(C)[nH+]cc2C1 ZINC001252125456 806013974 /nfs/dbraw/zinc/01/39/74/806013974.db2.gz DPUMPRPABAAHNN-KRWDZBQOSA-N 1 1 293.455 3.119 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCCCC12COC2 ZINC001252130145 806016382 /nfs/dbraw/zinc/01/63/82/806016382.db2.gz LZONBFYXZWDCRU-MRXNPFEDSA-N 1 1 283.456 3.353 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+](C)CC1(C)COC1 ZINC001252130815 806016946 /nfs/dbraw/zinc/01/69/46/806016946.db2.gz YMTJLHKZRROCOP-HNNXBMFYSA-N 1 1 271.445 3.066 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)CC2CC2)CC1 ZINC001159034242 806035171 /nfs/dbraw/zinc/03/51/71/806035171.db2.gz ZJAZCMZCXWLPCC-OAHLLOKOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCOC[C@H](O)C[N@H+](C(C)C)[C@@H](C)c1ccccc1 ZINC001252472128 806049299 /nfs/dbraw/zinc/04/92/99/806049299.db2.gz OEFIBZWEMNZIHM-DOTOQJQBSA-N 1 1 277.408 3.022 20 30 CGEDMO C=C[C@](C)(O)C[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC001252541933 806059620 /nfs/dbraw/zinc/05/96/20/806059620.db2.gz WZEMMFDNDKQNHU-INIZCTEOSA-N 1 1 277.795 3.366 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1CCC[C@H](CCc2ccccc2)C1 ZINC001252558721 806063050 /nfs/dbraw/zinc/06/30/50/806063050.db2.gz YZRLJWHXIZQTOD-MSOLQXFVSA-N 1 1 273.420 3.268 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001252556002 806063068 /nfs/dbraw/zinc/06/30/68/806063068.db2.gz AFNTUPKJXBBNMH-HIFRSBDPSA-N 1 1 299.336 3.432 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+]1CCC[C@@H]1c1ccc(Cl)s1 ZINC001252554999 806063454 /nfs/dbraw/zinc/06/34/54/806063454.db2.gz NQPOQVZNIOSGID-ZWNOBZJWSA-N 1 1 271.813 3.475 20 30 CGEDMO CC(C)(S)CNc1[nH+]ccc2c3c([nH]c21)CCC3 ZINC001159269027 806071378 /nfs/dbraw/zinc/07/13/78/806071378.db2.gz AUDOHXJEPKDLHO-UHFFFAOYSA-N 1 1 261.394 3.172 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](C)Cc1csc(C(C)C)n1 ZINC001252602475 806080716 /nfs/dbraw/zinc/08/07/16/806080716.db2.gz BFLZKGRPECSMDH-ZDUSSCGKSA-N 1 1 268.426 3.025 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)Cc1csc(C(C)C)n1 ZINC001252602475 806080720 /nfs/dbraw/zinc/08/07/20/806080720.db2.gz BFLZKGRPECSMDH-ZDUSSCGKSA-N 1 1 268.426 3.025 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[N@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001252986519 806148338 /nfs/dbraw/zinc/14/83/38/806148338.db2.gz VBDHMWBQSMYKOY-YESZJQIVSA-N 1 1 283.456 3.351 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[N@@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001252986519 806148343 /nfs/dbraw/zinc/14/83/43/806148343.db2.gz VBDHMWBQSMYKOY-YESZJQIVSA-N 1 1 283.456 3.351 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC001253235389 806188689 /nfs/dbraw/zinc/18/86/89/806188689.db2.gz LDTOJYUMPYPXNB-MSOLQXFVSA-N 1 1 295.467 3.376 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@H](OCC)C1 ZINC001253239674 806190288 /nfs/dbraw/zinc/19/02/88/806190288.db2.gz PVNCBTXJHCWKAQ-SJORKVTESA-N 1 1 283.456 3.375 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+](CC)CCn1ccnc1 ZINC001253241812 806192406 /nfs/dbraw/zinc/19/24/06/806192406.db2.gz DPFJSCJHXHXGPZ-QGZVFWFLSA-N 1 1 293.455 3.093 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+](C)CCc1cccnc1 ZINC001253240696 806192855 /nfs/dbraw/zinc/19/28/55/806192855.db2.gz PILXQIKCAZQSJK-SFHVURJKSA-N 1 1 290.451 3.443 20 30 CGEDMO C=CC(C)(C)CC(=O)NCCC1=CC[N@@H+](C(C)C)CC1 ZINC001160253210 806242628 /nfs/dbraw/zinc/24/26/28/806242628.db2.gz LGAXNESJFXHLGE-UHFFFAOYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CCC(=O)NCCC1=CC[N@@H+](CC=C(C)C)CC1 ZINC001160264094 806244913 /nfs/dbraw/zinc/24/49/13/806244913.db2.gz CUAPKKFTIBAUNG-UHFFFAOYSA-N 1 1 290.451 3.447 20 30 CGEDMO C=C[C@H](O)C[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC001253579189 806263632 /nfs/dbraw/zinc/26/36/32/806263632.db2.gz NLXABFVAYLCYAF-SMDDNHRTSA-N 1 1 251.757 3.024 20 30 CGEDMO C=C[C@H](O)C[N@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001253578883 806263877 /nfs/dbraw/zinc/26/38/77/806263877.db2.gz JOMZRJDLHHHHQO-JSGCOSHPSA-N 1 1 285.309 3.042 20 30 CGEDMO C=C[C@@H](O)C[N@H+]1CC[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001253578404 806263994 /nfs/dbraw/zinc/26/39/94/806263994.db2.gz ANEFNECCWPTYOK-VXGBXAGGSA-N 1 1 286.202 3.330 20 30 CGEDMO C=C[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001253586309 806265116 /nfs/dbraw/zinc/26/51/16/806265116.db2.gz LFPQOQAZSQMDAV-ZIAGYGMSSA-N 1 1 285.309 3.389 20 30 CGEDMO C=C[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1SC ZINC001253586018 806265282 /nfs/dbraw/zinc/26/52/82/806265282.db2.gz IEVWPOPRIYYAQH-TZMCWYRMSA-N 1 1 263.406 3.092 20 30 CGEDMO C=C[C@@H](O)C[N@H+](C)Cc1ccccc1Oc1ccccc1 ZINC001253585688 806265839 /nfs/dbraw/zinc/26/58/39/806265839.db2.gz YSKVVPUARFCTBB-MRXNPFEDSA-N 1 1 283.371 3.458 20 30 CGEDMO Cc1ccc(CC#N)c(NC2CC3(C2)CC(F)(F)C3)[nH+]1 ZINC001160590887 806288035 /nfs/dbraw/zinc/28/80/35/806288035.db2.gz ANKIPSAUBOLNPS-UHFFFAOYSA-N 1 1 277.318 3.446 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)CC2(C)CC2)CC1 ZINC001160707120 806296085 /nfs/dbraw/zinc/29/60/85/806296085.db2.gz DKLSIJZLSAHMFE-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)C2(C)CCC2)CC1 ZINC001160875555 806313760 /nfs/dbraw/zinc/31/37/60/806313760.db2.gz KPUAALGFGCZLSG-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1ncc(C)cc1Cl ZINC001160952927 806326573 /nfs/dbraw/zinc/32/65/73/806326573.db2.gz JAMHEEIOXFUZCD-LBPRGKRZSA-N 1 1 265.788 3.106 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1ccc2cccc(F)c2n1 ZINC001160954250 806328820 /nfs/dbraw/zinc/32/88/20/806328820.db2.gz TVRQMNKMIWSCBQ-AWEZNQCLSA-N 1 1 285.366 3.436 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)C2(CCC)CC2)CC1 ZINC001161140267 806353036 /nfs/dbraw/zinc/35/30/36/806353036.db2.gz GQDKZTMTRVAPAV-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO N#CCc1cnc(NCc2[nH+]cn3ccccc23)c(Cl)c1 ZINC001161687109 806418789 /nfs/dbraw/zinc/41/87/89/806418789.db2.gz QFPVBIDTPJDZAD-UHFFFAOYSA-N 1 1 297.749 3.061 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@@H](CO)C(C)C)cc1 ZINC001161745211 806442123 /nfs/dbraw/zinc/44/21/23/806442123.db2.gz VDQLZZGJGCPSAH-ZWKOTPCHSA-N 1 1 288.435 3.438 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC001254557051 806449145 /nfs/dbraw/zinc/44/91/45/806449145.db2.gz OTXRUBHUZRHQPE-WBVHZDCISA-N 1 1 257.377 3.341 20 30 CGEDMO C#C[C@H]1CCC[N@H+](C2CCN(c3ccc(F)cc3)CC2)C1 ZINC001254629414 806464123 /nfs/dbraw/zinc/46/41/23/806464123.db2.gz DNLJXAUGHUPRLL-HNNXBMFYSA-N 1 1 286.394 3.140 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@H]2c2cccnc2)C1 ZINC001254669535 806479919 /nfs/dbraw/zinc/47/99/19/806479919.db2.gz SHEZYPUSPOOTDQ-BMFZPTHFSA-N 1 1 255.365 3.301 20 30 CGEDMO C[C@]1(c2ccc(F)cc2)C[N@@H+]([C@H]2CC[C@H](C#N)C2)CCO1 ZINC001254671616 806480824 /nfs/dbraw/zinc/48/08/24/806480824.db2.gz SMCYLHTWCJYELA-RRQGHBQHSA-N 1 1 288.366 3.065 20 30 CGEDMO C[C@]1(c2ccc(F)cc2)C[N@H+]([C@H]2CC[C@H](C#N)C2)CCO1 ZINC001254671616 806480827 /nfs/dbraw/zinc/48/08/27/806480827.db2.gz SMCYLHTWCJYELA-RRQGHBQHSA-N 1 1 288.366 3.065 20 30 CGEDMO CCC[N@@H+](CCc1ccccn1)[C@@H]1CC[C@@H](C#N)C1 ZINC001254671011 806482253 /nfs/dbraw/zinc/48/22/53/806482253.db2.gz NVJSUVVBGXFROC-GDBMZVCRSA-N 1 1 257.381 3.028 20 30 CGEDMO CC[C@H](CC#N)[NH2+][C@@H](c1cncc(Cl)c1)C1CC1 ZINC001255161960 806559284 /nfs/dbraw/zinc/55/92/84/806559284.db2.gz DERSAUUPASHWCT-ZIAGYGMSSA-N 1 1 263.772 3.468 20 30 CGEDMO CC[C@H](CC#N)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001255165296 806562648 /nfs/dbraw/zinc/56/26/48/806562648.db2.gz WPGKKUKQLNGOFY-AHKGRUIUSA-N 1 1 283.419 3.010 20 30 CGEDMO CC[C@H](CC#N)N(CC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001255174670 806568696 /nfs/dbraw/zinc/56/86/96/806568696.db2.gz HTLAUWQHEJWLPP-QZTJIDSGSA-N 1 1 285.435 3.275 20 30 CGEDMO CC[C@H](CC#N)[N@@H+](Cc1ccccc1)[C@@H](C)CC(=O)OC ZINC001255176470 806570971 /nfs/dbraw/zinc/57/09/71/806570971.db2.gz AYDCJLOEOXYWOZ-GOEBONIOSA-N 1 1 288.391 3.132 20 30 CGEDMO CC[C@@H](CC#N)[N@H+]1CC=C(c2ccc(OC)cc2)CC1 ZINC001255179783 806572177 /nfs/dbraw/zinc/57/21/77/806572177.db2.gz RXCMRQQQHYEBBS-INIZCTEOSA-N 1 1 270.376 3.477 20 30 CGEDMO CC[C@@H](CC#N)[N@@H+]1CC=C(c2ccc(OC)cc2)CC1 ZINC001255179783 806572183 /nfs/dbraw/zinc/57/21/83/806572183.db2.gz RXCMRQQQHYEBBS-INIZCTEOSA-N 1 1 270.376 3.477 20 30 CGEDMO CC[C@H](CC#N)N1CC[C@]2(CCC[N@H+]2Cc2ccccc2)C1 ZINC001255179865 806572695 /nfs/dbraw/zinc/57/26/95/806572695.db2.gz SOVQIZCSSZGAPQ-RTBURBONSA-N 1 1 297.446 3.419 20 30 CGEDMO CC(C)[Si](C#CNC[C@@H]1C[C@H](F)C[NH2+]1)(C(C)C)C(C)C ZINC001162478268 806594273 /nfs/dbraw/zinc/59/42/73/806594273.db2.gz WQFRFKOPVFZIEM-HOTGVXAUSA-N 1 1 298.522 3.455 20 30 CGEDMO CCCC[N@H+](CCC#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001255605758 806680489 /nfs/dbraw/zinc/68/04/89/806680489.db2.gz WSJIXMJAMVUTJV-CQSZACIVSA-N 1 1 295.427 3.012 20 30 CGEDMO CCCC[N@@H+](CCC#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001255605758 806680491 /nfs/dbraw/zinc/68/04/91/806680491.db2.gz WSJIXMJAMVUTJV-CQSZACIVSA-N 1 1 295.427 3.012 20 30 CGEDMO CCCCN(CCC#N)C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255680330 806704836 /nfs/dbraw/zinc/70/48/36/806704836.db2.gz NTUSJTTZLAYHKG-XYPWUTKMSA-N 1 1 263.429 3.017 20 30 CGEDMO C#CC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CCCC1 ZINC000176389818 799094882 /nfs/dbraw/zinc/09/48/82/799094882.db2.gz ALLMDOVWIFXKLV-UHFFFAOYSA-N 1 1 276.311 3.112 20 30 CGEDMO C#CC[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CCCC1 ZINC000176389818 799094890 /nfs/dbraw/zinc/09/48/90/799094890.db2.gz ALLMDOVWIFXKLV-UHFFFAOYSA-N 1 1 276.311 3.112 20 30 CGEDMO C#CC[N@H+](CCOc1ccccc1C(C)=O)C1CCCC1 ZINC000176384197 799094976 /nfs/dbraw/zinc/09/49/76/799094976.db2.gz AXPLRLQEIAUPRW-UHFFFAOYSA-N 1 1 285.387 3.146 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC001255715210 806716308 /nfs/dbraw/zinc/71/63/08/806716308.db2.gz CNYPXOMWXWDEIT-AGIUHOORSA-N 1 1 259.315 3.453 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+](C)[C@@H](C)c1ccccc1Cl ZINC000381008982 799371415 /nfs/dbraw/zinc/37/14/15/799371415.db2.gz QGSKGGRTINFKEN-RYUDHWBXSA-N 1 1 266.772 3.261 20 30 CGEDMO CC[C@H](CC#N)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383074534 799399926 /nfs/dbraw/zinc/39/99/26/799399926.db2.gz SMONXKWIJZRMRZ-QZTJIDSGSA-N 1 1 285.435 3.133 20 30 CGEDMO C#CCCCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000686672989 799736366 /nfs/dbraw/zinc/73/63/66/799736366.db2.gz RFFGVGLXQRIXRR-BBWFWOEESA-N 1 1 263.425 3.196 20 30 CGEDMO C[C@@H](Cc1ccc(F)cc1)[N@H+]1CCC[C@H](CC#N)C1 ZINC001255875417 806778222 /nfs/dbraw/zinc/77/82/22/806778222.db2.gz KORDGKBRGKBRQK-DZGCQCFKSA-N 1 1 260.356 3.382 20 30 CGEDMO C[C@@H](Cc1ccc(F)cc1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC001255875421 806778522 /nfs/dbraw/zinc/77/85/22/806778522.db2.gz KORDGKBRGKBRQK-ZFWWWQNUSA-N 1 1 260.356 3.382 20 30 CGEDMO C=C(Br)C[N@H+]1CCCC(F)(F)CC1 ZINC000705765534 799951951 /nfs/dbraw/zinc/95/19/51/799951951.db2.gz RRDTXWPEBHPNOR-UHFFFAOYSA-N 1 1 254.118 3.016 20 30 CGEDMO C=C(Br)C[N@@H+]1CCCC(F)(F)CC1 ZINC000705765534 799951959 /nfs/dbraw/zinc/95/19/59/799951959.db2.gz RRDTXWPEBHPNOR-UHFFFAOYSA-N 1 1 254.118 3.016 20 30 CGEDMO C#C[C@@H](CC)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716721309 800178499 /nfs/dbraw/zinc/17/84/99/800178499.db2.gz ZXZINZVTJHSOKR-OKYOBFRVSA-N 1 1 282.431 3.041 20 30 CGEDMO C#C[C@@H](CC)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716721309 800178500 /nfs/dbraw/zinc/17/85/00/800178500.db2.gz ZXZINZVTJHSOKR-OKYOBFRVSA-N 1 1 282.431 3.041 20 30 CGEDMO C=CCC1(O)CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000717450854 800202481 /nfs/dbraw/zinc/20/24/81/800202481.db2.gz ILYMCAARTRIZLO-UHFFFAOYSA-N 1 1 283.774 3.382 20 30 CGEDMO CC[N@@H+](CCC#N)C[C@H](C)COCc1ccccc1 ZINC000719592581 800244523 /nfs/dbraw/zinc/24/45/23/800244523.db2.gz PIJKYZUWBGSMPD-HNNXBMFYSA-N 1 1 260.381 3.075 20 30 CGEDMO C#CC[C@H]([NH3+])c1nc(-c2cc(Cl)ccc2Cl)no1 ZINC000723890762 800342570 /nfs/dbraw/zinc/34/25/70/800342570.db2.gz HJUAXNOEXUWJAM-JTQLQIEISA-N 1 1 282.130 3.067 20 30 CGEDMO Cc1ccc(CC#N)c(N2CC[C@@H](F)C(F)(F)CC2)[nH+]1 ZINC001163784926 806827257 /nfs/dbraw/zinc/82/72/57/806827257.db2.gz QXNNNTDGUMGKDV-GFCCVEGCSA-N 1 1 283.297 3.030 20 30 CGEDMO C#CC[C@@H]([NH2+]Cc1cc(F)ncc1F)c1ccccc1 ZINC000809425698 800437228 /nfs/dbraw/zinc/43/72/28/800437228.db2.gz RHRDJOMDOVFBAA-OAHLLOKOSA-N 1 1 272.298 3.214 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1nccn1-c1ccccc1 ZINC000934459541 800678143 /nfs/dbraw/zinc/67/81/43/800678143.db2.gz DEFBJUDSNSGPKA-AWEZNQCLSA-N 1 1 253.349 3.023 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1nccn1-c1ccccc1 ZINC000934459541 800678149 /nfs/dbraw/zinc/67/81/49/800678149.db2.gz DEFBJUDSNSGPKA-AWEZNQCLSA-N 1 1 253.349 3.023 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)c(C)o2)[C@@H]1C ZINC000993206469 800694262 /nfs/dbraw/zinc/69/42/62/800694262.db2.gz JKZWSZMAFAMJHJ-ZFWWWQNUSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](CNC(=O)c2cccc(C3CC3)c2)C1 ZINC001023768921 800715569 /nfs/dbraw/zinc/71/55/69/800715569.db2.gz VSCMYONZRCBBMM-HNNXBMFYSA-N 1 1 298.430 3.192 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cscc1C ZINC001024377342 800726321 /nfs/dbraw/zinc/72/63/21/800726321.db2.gz QEXBMDFDKMIYHE-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)C1CC2(CCC2)C1 ZINC001024596511 800730178 /nfs/dbraw/zinc/73/01/78/800730178.db2.gz IDHVNKVJAFIQBJ-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1CC ZINC001024620911 800732577 /nfs/dbraw/zinc/73/25/77/800732577.db2.gz FDVUFPTVEJUXQW-INIZCTEOSA-N 1 1 286.419 3.019 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001024641243 800733352 /nfs/dbraw/zinc/73/33/52/800733352.db2.gz IBHIZGPNZLEGPM-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)F ZINC001025185023 800745410 /nfs/dbraw/zinc/74/54/10/800745410.db2.gz RPPFTVIWAVIWHX-HUUCEWRRSA-N 1 1 296.430 3.156 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)C ZINC001025203930 800748107 /nfs/dbraw/zinc/74/81/07/800748107.db2.gz KRVZKZAIISCRSK-IAGOWNOFSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)C ZINC001025204137 800749030 /nfs/dbraw/zinc/74/90/30/800749030.db2.gz MTMUOQBJORJGNH-JKSUJKDBSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)/C(C)=C/C ZINC001025219791 800750005 /nfs/dbraw/zinc/75/00/05/800750005.db2.gz ZZTCALUUMKHPCF-KZIQZQBPSA-N 1 1 290.451 3.374 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccco2)C1 ZINC001025318822 800755176 /nfs/dbraw/zinc/75/51/76/800755176.db2.gz CDIIWGWKOGRKQJ-LSDHHAIUSA-N 1 1 290.407 3.076 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001025379773 800758778 /nfs/dbraw/zinc/75/87/78/800758778.db2.gz UYXXPOHRCNXADB-KBPBESRZSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccoc2)C1 ZINC001025343584 800759209 /nfs/dbraw/zinc/75/92/09/800759209.db2.gz JVWQSCKJZSGVKT-HUUCEWRRSA-N 1 1 290.407 3.076 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2cccc(C)c2)C1 ZINC001027281861 800789962 /nfs/dbraw/zinc/78/99/62/800789962.db2.gz ARMRYIVMWOMOHB-KRWDZBQOSA-N 1 1 286.419 3.108 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)C2CCCCCC2)C1 ZINC001027332257 800792192 /nfs/dbraw/zinc/79/21/92/800792192.db2.gz PDPKXZFIUAABHL-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)C2CC(C)(C)C2)C1 ZINC001027396108 800792681 /nfs/dbraw/zinc/79/26/81/800792681.db2.gz QJZYHHNOYXBOFP-CQSZACIVSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)C2CC(C)(C)C2)C1 ZINC001027396108 800792690 /nfs/dbraw/zinc/79/26/90/800792690.db2.gz QJZYHHNOYXBOFP-CQSZACIVSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C2=CCCCCC2)C1 ZINC001027377933 800792914 /nfs/dbraw/zinc/79/29/14/800792914.db2.gz AFQSSJGRRMQSNY-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2cc(C)c(C)o2)C1 ZINC001027368518 800793377 /nfs/dbraw/zinc/79/33/77/800793377.db2.gz PNGLFOSWPLSNFO-OAHLLOKOSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001027698108 800812748 /nfs/dbraw/zinc/81/27/48/800812748.db2.gz CRLSOSOKRWUYLB-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cl)o1 ZINC001027759776 800820029 /nfs/dbraw/zinc/82/00/29/800820029.db2.gz MRGUSLXHNQMGSW-GFCCVEGCSA-N 1 1 296.798 3.093 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC2(CC2)C1 ZINC001027877866 800823282 /nfs/dbraw/zinc/82/32/82/800823282.db2.gz BLCUJNMAJSYVRI-HOTGVXAUSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001027903504 800826224 /nfs/dbraw/zinc/82/62/24/800826224.db2.gz IKJBJOPJKRASNN-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1occc1C(C)C ZINC001028093900 800831419 /nfs/dbraw/zinc/83/14/19/800831419.db2.gz QQJWFTIYJWKONZ-CQSZACIVSA-N 1 1 290.407 3.173 20 30 CGEDMO C=C1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CC[C@@H](C)F)CC1 ZINC001028116072 800831807 /nfs/dbraw/zinc/83/18/07/800831807.db2.gz BVGSBVDJBDNQNC-GDBMZVCRSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001028123324 800833481 /nfs/dbraw/zinc/83/34/81/800833481.db2.gz QKZVCAUHUOLDML-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(Cl)ccc1C ZINC001028210897 800836454 /nfs/dbraw/zinc/83/64/54/800836454.db2.gz WHQGRKMVHVFUFR-CQSZACIVSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(C)c1C ZINC001028295101 800840514 /nfs/dbraw/zinc/84/05/14/800840514.db2.gz DECQYHPXIFFQLR-MRXNPFEDSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(C)ccc1C ZINC001028285357 800841069 /nfs/dbraw/zinc/84/10/69/800841069.db2.gz WPIHAYZXJVZISY-INIZCTEOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)C2CCCCCC2)C1 ZINC001028442778 800846795 /nfs/dbraw/zinc/84/67/95/800846795.db2.gz HSWLVBDTHHPQAA-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(C3CC3)cc2)C1 ZINC001028996415 800858509 /nfs/dbraw/zinc/85/85/09/800858509.db2.gz AMCRJDOAEVQAPE-HNNXBMFYSA-N 1 1 298.430 3.192 20 30 CGEDMO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCCC1 ZINC001032563228 800930193 /nfs/dbraw/zinc/93/01/93/800930193.db2.gz SCEVDLOLHGPBTN-HOTGVXAUSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1(C)CCCCC1 ZINC001032513044 800930509 /nfs/dbraw/zinc/93/05/09/800930509.db2.gz OYORJBXPHDCXCE-HOTGVXAUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(CC)(CC)CC ZINC001032703513 800934795 /nfs/dbraw/zinc/93/47/95/800934795.db2.gz XTSBKORVJGKADZ-GJZGRUSLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C)oc2C)C1 ZINC001032901667 800943448 /nfs/dbraw/zinc/94/34/48/800943448.db2.gz PPQJWRQWCKEHCE-OAHLLOKOSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2C(C)C)C1 ZINC001033127722 800954587 /nfs/dbraw/zinc/95/45/87/800954587.db2.gz LARUYOVLHKFAKW-HNNXBMFYSA-N 1 1 286.419 3.142 20 30 CGEDMO C=C1CCC(C(=O)N(C)[C@H]2CC[N@H+](CC[C@H](C)F)C2)CC1 ZINC001033389661 800962527 /nfs/dbraw/zinc/96/25/27/800962527.db2.gz RZDIJBOAQJMWPL-HOCLYGCPSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C)c(C)s2)C1 ZINC001033641852 800971645 /nfs/dbraw/zinc/97/16/45/800971645.db2.gz FGCXNQNFOXHJFO-AWEZNQCLSA-N 1 1 292.448 3.087 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Cl)s2)C1 ZINC001033636992 800972101 /nfs/dbraw/zinc/97/21/01/800972101.db2.gz IGRRRNXQPQCPLM-LLVKDONJSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3cc(C)ccc3o2)C1 ZINC001033684774 800972690 /nfs/dbraw/zinc/97/26/90/800972690.db2.gz QGXVZTKKKWLBEE-HNNXBMFYSA-N 1 1 298.386 3.074 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001033693084 800975093 /nfs/dbraw/zinc/97/50/93/800975093.db2.gz OPPXOWATPKKMSO-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(C)oc2C)C1 ZINC001033749447 800982338 /nfs/dbraw/zinc/98/23/38/800982338.db2.gz IKISSYBUHVPIAD-HNNXBMFYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2occc2Cl)C1 ZINC001033945330 800990659 /nfs/dbraw/zinc/99/06/59/800990659.db2.gz LSMCPRHHLLLQCV-LBPRGKRZSA-N 1 1 296.798 3.046 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001034020450 800994707 /nfs/dbraw/zinc/99/47/07/800994707.db2.gz KBDUYBVZPSNNAP-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)c2ccc(C)o2)C1 ZINC001034093868 801004930 /nfs/dbraw/zinc/00/49/30/801004930.db2.gz YDUAXBOHKQSDMV-HNNXBMFYSA-N 1 1 290.407 3.139 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2ccccc2C)C1 ZINC001034088942 801005107 /nfs/dbraw/zinc/00/51/07/801005107.db2.gz CORQMACPJPGTKM-INIZCTEOSA-N 1 1 286.419 3.155 20 30 CGEDMO C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001034205316 801010270 /nfs/dbraw/zinc/01/02/70/801010270.db2.gz VGHYPGOJDGHCCA-JKSUJKDBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)C2CC(C)(C)C2)C1 ZINC001034202545 801011181 /nfs/dbraw/zinc/01/11/81/801011181.db2.gz VBGVDSAMKQEMPE-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC23CC3)C1 ZINC001034274332 801015181 /nfs/dbraw/zinc/01/51/81/801015181.db2.gz SZKBSVMNQCHCKV-HOTGVXAUSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@H](NC(=O)C2(C3CC3)CCC2)C1 ZINC001034332845 801018557 /nfs/dbraw/zinc/01/85/57/801018557.db2.gz YZVHSQSDJQYTLR-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H](C)c2ccsc2)C1 ZINC001034395784 801024151 /nfs/dbraw/zinc/02/41/51/801024151.db2.gz ZEDNPNZKYFPBIJ-ZFWWWQNUSA-N 1 1 292.448 3.008 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@H+](CC[C@@H](C)F)C2)C1 ZINC001034389884 801024416 /nfs/dbraw/zinc/02/44/16/801024416.db2.gz VQUZDFJQOZQXTF-CABCVRRESA-N 1 1 296.430 3.062 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001034496527 801030805 /nfs/dbraw/zinc/03/08/05/801030805.db2.gz JCRZXJRQVUBSIV-BRWVUGGUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C)C(C)(C)C)CC2 ZINC001035196898 801055950 /nfs/dbraw/zinc/05/59/50/801055950.db2.gz GSUCTLATFJRUFY-OAHLLOKOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CC3CCC3)CC[C@H]21 ZINC001036677976 801088102 /nfs/dbraw/zinc/08/81/02/801088102.db2.gz JLRONELQYUOILZ-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(CC)CC)CC[C@H]21 ZINC001036901641 801094551 /nfs/dbraw/zinc/09/45/51/801094551.db2.gz XAGGEBLUGLDHFX-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(Cl)ccc1C ZINC001038824308 801135047 /nfs/dbraw/zinc/13/50/47/801135047.db2.gz ZSHZLEJHUGQTNA-CQSZACIVSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CC[N@H+]1CC[C@H]1CNC(=O)C1CCC(CCCC)CC1 ZINC001038996130 801140453 /nfs/dbraw/zinc/14/04/53/801140453.db2.gz MEEJDIHNGRVWNP-JCYILVPMSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CNC(=O)C1CCC(CCCC)CC1 ZINC001038996130 801140456 /nfs/dbraw/zinc/14/04/56/801140456.db2.gz MEEJDIHNGRVWNP-JCYILVPMSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc([C@@H](C)CC)cc1 ZINC001039057098 801143782 /nfs/dbraw/zinc/14/37/82/801143782.db2.gz QFTXDGBQTYROKH-MAUKXSAKSA-N 1 1 298.430 3.028 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C2CC2)C1 ZINC001039186076 801151951 /nfs/dbraw/zinc/15/19/51/801151951.db2.gz XILVJLRDARTSIO-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CC ZINC001039336215 801159119 /nfs/dbraw/zinc/15/91/19/801159119.db2.gz WGEXPWDWJHRGTR-OAGGEKHMSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C(C)C)CC1 ZINC001039432276 801161871 /nfs/dbraw/zinc/16/18/71/801161871.db2.gz QEKPWYFRQLDXAG-CVEARBPZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CCC)CC1 ZINC001039887516 801167653 /nfs/dbraw/zinc/16/76/53/801167653.db2.gz FYAUQMDPRHYHRY-CALCHBBNSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC)c1ccccc1 ZINC001040012602 801169964 /nfs/dbraw/zinc/16/99/64/801169964.db2.gz SIFMYLZKQGDQQT-KSZLIROESA-N 1 1 298.430 3.041 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C(C)C)C2 ZINC001040329616 801175900 /nfs/dbraw/zinc/17/59/00/801175900.db2.gz WDLPGMLNFGFJAX-SFHVURJKSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@@]2(CC[N@H+](C[C@H](C)CC)C2)C1 ZINC001041541209 801188879 /nfs/dbraw/zinc/18/88/79/801188879.db2.gz VBMCCIPJTOAVJF-CRAIPNDOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)CC)C2)C1 ZINC001041622841 801190784 /nfs/dbraw/zinc/19/07/84/801190784.db2.gz LGNYMJIHWPJZLU-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)C3(C)CCCCC3)C2)C1 ZINC001041632436 801191768 /nfs/dbraw/zinc/19/17/68/801191768.db2.gz IDXMPMXYSFLOOK-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)C(CC)CC)C[C@@H]21 ZINC001041949399 801198925 /nfs/dbraw/zinc/19/89/25/801198925.db2.gz IHNDZPZINBHKAN-IRXDYDNUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[NH+]1CC(N(C)C(=O)c2oc3ccccc3c2C)C1 ZINC001044263808 801235819 /nfs/dbraw/zinc/23/58/19/801235819.db2.gz VZDMDDVFGFCXCM-UHFFFAOYSA-N 1 1 298.386 3.074 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC)C2 ZINC001045900998 801289866 /nfs/dbraw/zinc/28/98/66/801289866.db2.gz CPHFXRDAIIURQH-KRWDZBQOSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C=C(C)C)C2 ZINC001045911348 801291621 /nfs/dbraw/zinc/29/16/21/801291621.db2.gz GWDPYKZRSWLNLG-GOSISDBHSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC(C)(C)C)C2 ZINC001045912622 801291701 /nfs/dbraw/zinc/29/17/01/801291701.db2.gz HIUITRYINDDABD-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(C3CC3)c2)C1 ZINC001046858068 801330854 /nfs/dbraw/zinc/33/08/54/801330854.db2.gz AIRXYRKAARTBIM-LJQANCHMSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1 ZINC001049295755 801359907 /nfs/dbraw/zinc/35/99/07/801359907.db2.gz GFWYZDDARGZQOW-ROUUACIJSA-N 1 1 298.430 3.332 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC(C)C ZINC001049292261 801360311 /nfs/dbraw/zinc/36/03/11/801360311.db2.gz MAXHFNCXIYHXBQ-CVEARBPZSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccsc1 ZINC001049306668 801361931 /nfs/dbraw/zinc/36/19/31/801361931.db2.gz DCEKBKNHUXYHDX-CABCVRRESA-N 1 1 290.432 3.003 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC1(C)CC1 ZINC001049601898 801377314 /nfs/dbraw/zinc/37/73/14/801377314.db2.gz IXDDOIOTOBMPAW-CVEARBPZSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CC1 ZINC001049634135 801379386 /nfs/dbraw/zinc/37/93/86/801379386.db2.gz PAWBMYDBRHFUEC-HZPDHXFCSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCC ZINC001049639904 801380193 /nfs/dbraw/zinc/38/01/93/801380193.db2.gz RCRQEQGCBRGHBO-HZPDHXFCSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC(C)C ZINC001049636786 801380400 /nfs/dbraw/zinc/38/04/00/801380400.db2.gz DPOSSMNQLSBGRL-HZPDHXFCSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC[C@@H](C)F ZINC001049646018 801380977 /nfs/dbraw/zinc/38/09/77/801380977.db2.gz OPSSAPYVCBCWBF-KFWWJZLASA-N 1 1 296.430 3.012 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)C(C)C ZINC001049769704 801387938 /nfs/dbraw/zinc/38/79/38/801387938.db2.gz PRGOEOSEMKTZIA-GVDBMIGSSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)C ZINC001049858721 801392084 /nfs/dbraw/zinc/39/20/84/801392084.db2.gz POHJXOPIVGCFBY-LSDHHAIUSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2sccc2C)CC1 ZINC001052162421 801419863 /nfs/dbraw/zinc/41/98/63/801419863.db2.gz MUWHWDTXGUHOKC-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C[C@H]2C=CCC2)CC1 ZINC001052187743 801423774 /nfs/dbraw/zinc/42/37/74/801423774.db2.gz OZSCQCLZTYXKSU-GJZGRUSLSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2ccsc2)CC1 ZINC001052179893 801424794 /nfs/dbraw/zinc/42/47/94/801424794.db2.gz QNUBSNSAJYCQOB-CYBMUJFWSA-N 1 1 298.839 3.085 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2ccsc2)CC1 ZINC001052179893 801424800 /nfs/dbraw/zinc/42/48/00/801424800.db2.gz QNUBSNSAJYCQOB-CYBMUJFWSA-N 1 1 298.839 3.085 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C2C(C)(C)C2(C)C)CC1 ZINC001052281908 801428028 /nfs/dbraw/zinc/42/80/28/801428028.db2.gz CWRAXCMKBXODMO-AWEZNQCLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)CC2=CCCCC2)CC1 ZINC001052257925 801428914 /nfs/dbraw/zinc/42/89/14/801428914.db2.gz NWLLRKIZJXRGTK-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C#CC(C)(C)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256523552 806909464 /nfs/dbraw/zinc/90/94/64/806909464.db2.gz PVVHOEVZDPOKCD-RDJZCZTQSA-N 1 1 270.420 3.041 20 30 CGEDMO C#CC(C)(C)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256523552 806909467 /nfs/dbraw/zinc/90/94/67/806909467.db2.gz PVVHOEVZDPOKCD-RDJZCZTQSA-N 1 1 270.420 3.041 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccoc2Cl)CC1 ZINC001052342222 801430473 /nfs/dbraw/zinc/43/04/73/801430473.db2.gz REVKACAEVWXENW-LBPRGKRZSA-N 1 1 296.798 3.093 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C(C)=C2CCC2)CC1 ZINC001052368656 801432423 /nfs/dbraw/zinc/43/24/23/801432423.db2.gz LNFQLAXOFZISQL-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C[C@H]1C[C@@H](NC2(C#N)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001256528025 806911123 /nfs/dbraw/zinc/91/11/23/806911123.db2.gz XDUIBQYNAOGVTI-WMZOPIPTSA-N 1 1 297.446 3.465 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)C2CCCC2)CC1 ZINC001052856779 801452983 /nfs/dbraw/zinc/45/29/83/801452983.db2.gz FQJBNYJWBPOBFU-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC(C)(C)C2)CC1 ZINC001052962597 801457477 /nfs/dbraw/zinc/45/74/77/801457477.db2.gz HENMAXHKHZUJFV-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C2CC2)C1 ZINC001053057164 801463423 /nfs/dbraw/zinc/46/34/23/801463423.db2.gz HVFGHXVTYYPYRC-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CCCC1)C2 ZINC001054069832 801470050 /nfs/dbraw/zinc/47/00/50/801470050.db2.gz VSABKMQYOQLMLY-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)CC)C2 ZINC001054185894 801477477 /nfs/dbraw/zinc/47/74/77/801477477.db2.gz KQVDXFXHYQQUFN-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@H+]1Cc2ccc(CNC(=O)C3=CCCC3)cc2C1 ZINC001054260901 801482722 /nfs/dbraw/zinc/48/27/22/801482722.db2.gz GLRMUESXJMCIPA-UHFFFAOYSA-N 1 1 296.414 3.305 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2sccc2C)CC[C@H]1C ZINC001071315230 801525517 /nfs/dbraw/zinc/52/55/17/801525517.db2.gz UJUODKCIFNMEGU-ZIAGYGMSSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2csc(C)c2C)CC[C@@H]1C ZINC001071531842 801542526 /nfs/dbraw/zinc/54/25/26/801542526.db2.gz QXBYVSUNKMFBCL-SMDDNHRTSA-N 1 1 292.448 3.134 20 30 CGEDMO C#CC[N@H+]1C[C@H](NC(=O)c2ccccc2C(C)C)CC[C@H]1C ZINC001071550065 801543486 /nfs/dbraw/zinc/54/34/86/801543486.db2.gz XJUDBJNKZASTDA-HZPDHXFCSA-N 1 1 298.430 3.026 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)c2ccc(CC)s2)CC[C@@H]1C ZINC001071658362 801545248 /nfs/dbraw/zinc/54/52/48/801545248.db2.gz DUDVHKYOKVZYLK-QWHCGFSZSA-N 1 1 292.448 3.079 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C(C)(C)C2CCC2)CC[C@H]1C ZINC001071708315 801545634 /nfs/dbraw/zinc/54/56/34/801545634.db2.gz DDXPYPXHIZFXPI-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)C2CCC2)CC[C@H]1C ZINC001071708146 801545962 /nfs/dbraw/zinc/54/59/62/801545962.db2.gz AQIWAUNXXJXAMT-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)c2ccccc2CC)CC[C@H]1C ZINC001071768739 801549817 /nfs/dbraw/zinc/54/98/17/801549817.db2.gz BLYWPRWDQJAZNY-GDBMZVCRSA-N 1 1 286.419 3.018 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc(Cl)cc2)CC[C@@H]1C ZINC001072008126 801558494 /nfs/dbraw/zinc/55/84/94/801558494.db2.gz AJRNUPURAMZSPX-WFASDCNBSA-N 1 1 292.810 3.109 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2ccc(C)cc2)CC[C@@H]1C ZINC001072011735 801559046 /nfs/dbraw/zinc/55/90/46/801559046.db2.gz BVNUTCFOELYXNF-DOTOQJQBSA-N 1 1 286.419 3.154 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)CC)CC2)CC1 ZINC001075443539 801601555 /nfs/dbraw/zinc/60/15/55/801601555.db2.gz SVERFYXUERQVDF-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CCCCCC2)C1 ZINC001079486212 801645110 /nfs/dbraw/zinc/64/51/10/801645110.db2.gz RAOBLEXWUSTYMF-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2sccc2Cl)C1 ZINC001079747508 801647963 /nfs/dbraw/zinc/64/79/63/801647963.db2.gz OCDLQDAPDDLIMJ-ZYHUDNBSSA-N 1 1 298.839 3.028 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C2CCCC2)C1 ZINC001079866666 801647997 /nfs/dbraw/zinc/64/79/97/801647997.db2.gz SHTYMTFHZPGBNA-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001081013926 801656967 /nfs/dbraw/zinc/65/69/67/801656967.db2.gz KBFFBXYZSOSGCR-OWCLPIDISA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccoc2C(C)C)C1 ZINC001081023546 801658738 /nfs/dbraw/zinc/65/87/38/801658738.db2.gz WPSZHAPDZDYWLA-UKRRQHHQSA-N 1 1 290.407 3.029 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C)ccc3C)[C@@H]2C1 ZINC001084796281 801670912 /nfs/dbraw/zinc/67/09/12/801670912.db2.gz TVSGZCNANHIMMO-SJLPKXTDSA-N 1 1 298.430 3.026 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(CC)CCCCC3)[C@@H]2C1 ZINC001084847955 801672628 /nfs/dbraw/zinc/67/26/28/801672628.db2.gz SBMHHQQEMDGIRN-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C)s1 ZINC001085460813 801688324 /nfs/dbraw/zinc/68/83/24/801688324.db2.gz QHDMSLVEKDKCDO-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1oc(C)cc1C ZINC001085537709 801692140 /nfs/dbraw/zinc/69/21/40/801692140.db2.gz FVFXTNGCKROARH-OAHLLOKOSA-N 1 1 290.407 3.009 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001085604596 801696148 /nfs/dbraw/zinc/69/61/48/801696148.db2.gz MMIAQELZJZBEHR-ARFHVFGLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC=CCCC1 ZINC001085669233 801698959 /nfs/dbraw/zinc/69/89/59/801698959.db2.gz VNDWZMXLSPYFOO-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC12CC2 ZINC001085670497 801699008 /nfs/dbraw/zinc/69/90/08/801699008.db2.gz XGBYVCKIFWYGIL-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC12CCCC2 ZINC001085909442 801710534 /nfs/dbraw/zinc/71/05/34/801710534.db2.gz JQVXPGLDOHCECQ-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(Cl)c1 ZINC001085940610 801712323 /nfs/dbraw/zinc/71/23/23/801712323.db2.gz KSCWZVKKUDOYJR-HNNXBMFYSA-N 1 1 292.810 3.062 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC2CCCC2)[C@H]1CC ZINC001087490234 801753279 /nfs/dbraw/zinc/75/32/79/801753279.db2.gz LVXJXVMNBCCWQL-LSDHHAIUSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC2CCCC2)[C@H]1CC ZINC001087490234 801753283 /nfs/dbraw/zinc/75/32/83/801753283.db2.gz LVXJXVMNBCCWQL-LSDHHAIUSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2coc(C)c2)[C@H]1CC ZINC001087554278 801756720 /nfs/dbraw/zinc/75/67/20/801756720.db2.gz YUFIIYTZQWYYID-JKSUJKDBSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC2(C)C)[C@H]1CC ZINC001087691744 801761614 /nfs/dbraw/zinc/76/16/14/801761614.db2.gz GMTSKLGDHLAETM-HRCADAONSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(C)CCCC2)[C@H]1CC ZINC001087677034 801762704 /nfs/dbraw/zinc/76/27/04/801762704.db2.gz SURZOTJIIVXZGP-UONOGXRCSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(C)CCCC2)[C@H]1CC ZINC001087677034 801762708 /nfs/dbraw/zinc/76/27/08/801762708.db2.gz SURZOTJIIVXZGP-UONOGXRCSA-N 1 1 298.858 3.288 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2(C)CCCCC2)[C@H]1CC ZINC001087712174 801764606 /nfs/dbraw/zinc/76/46/06/801764606.db2.gz RZEKIKQGKFLMHL-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2(C)CCC(C)CC2)[C@H]1CC ZINC001087844454 801771739 /nfs/dbraw/zinc/77/17/39/801771739.db2.gz AAVWOPOPHJEBLI-BNQMIIOLSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2CCC(C)(C)CC2)[C@H]1CC ZINC001087842673 801772045 /nfs/dbraw/zinc/77/20/45/801772045.db2.gz FACPGIVCVVBVPV-JKSUJKDBSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@H]1C ZINC001088993461 801816261 /nfs/dbraw/zinc/81/62/61/801816261.db2.gz KJBBOJMFNQRNSR-VQHPVUNQSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2CC(C(C)(C)C)C2)[C@H]1C ZINC001089070520 801820938 /nfs/dbraw/zinc/82/09/38/801820938.db2.gz JJJKOSSDDYAZDQ-LMPOIIKSSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)CC2CCC2)CC(C)(C)C1 ZINC001089352343 801836100 /nfs/dbraw/zinc/83/61/00/801836100.db2.gz RIDUVSSHAFKNHG-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C2CC(C)(C)C2)CC(C)(C)C1 ZINC001089379960 801836909 /nfs/dbraw/zinc/83/69/09/801836909.db2.gz AYDUENGRBUGBLE-OAHLLOKOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC1(C)C ZINC001089627298 801845661 /nfs/dbraw/zinc/84/56/61/801845661.db2.gz WVBRHVCSQGNEMK-LSDHHAIUSA-N 1 1 292.467 3.215 20 30 CGEDMO COc1cccc2c1CC[C@@H]([N@H+]1CCC[C@@H](C#N)CC1)C2 ZINC001256654454 806941145 /nfs/dbraw/zinc/94/11/45/806941145.db2.gz OMCHCCBQEJXTRM-GDBMZVCRSA-N 1 1 284.403 3.178 20 30 CGEDMO COc1cccc2c1CC[C@@H]([N@H+]1CCC[C@H](C#N)CC1)C2 ZINC001256654455 806941190 /nfs/dbraw/zinc/94/11/90/806941190.db2.gz OMCHCCBQEJXTRM-GOEBONIOSA-N 1 1 284.403 3.178 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC(C)(C)C2)[C@H](C)C1 ZINC001092945379 801863520 /nfs/dbraw/zinc/86/35/20/801863520.db2.gz BBPDRUMZNDNFFO-BZUAXINKSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC)CC1 ZINC001093345023 801866159 /nfs/dbraw/zinc/86/61/59/801866159.db2.gz CVLQMZPJUANFNX-QGZVFWFLSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]1C[C@@H](CNC(=O)C2CCC(C)(C)CC2)[C@H](C)C1 ZINC001093231766 801866527 /nfs/dbraw/zinc/86/65/27/801866527.db2.gz OLUIPVQCHDEJPQ-GDBMZVCRSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC(C)(C)C1)C2 ZINC001095382764 801883807 /nfs/dbraw/zinc/88/38/07/801883807.db2.gz XPOXAKVVRFWOBD-PMPSAXMXSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC1(C)C)C2 ZINC001095885095 801885284 /nfs/dbraw/zinc/88/52/84/801885284.db2.gz NREBFJNKXJMSLF-WCVJEAGWSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C)cc1)C2 ZINC001098268578 801909735 /nfs/dbraw/zinc/90/97/35/801909735.db2.gz ARKBIUIDACIISP-KURKYZTESA-N 1 1 298.430 3.296 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H](C)C(C)C ZINC001098960903 801921771 /nfs/dbraw/zinc/92/17/71/801921771.db2.gz TZZSBEVVFPGPRZ-HZPDHXFCSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1C[C@H](F)CC ZINC001098966352 801922310 /nfs/dbraw/zinc/92/23/10/801922310.db2.gz LGVJSIDKMIVTKE-CABCVRRESA-N 1 1 298.446 3.308 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCCF ZINC001099170283 801930982 /nfs/dbraw/zinc/93/09/82/801930982.db2.gz FNXFRNWPEBICTO-AWEZNQCLSA-N 1 1 298.446 3.165 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC ZINC001099251193 801933985 /nfs/dbraw/zinc/93/39/85/801933985.db2.gz HJTJTTPGLJOVQT-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](CNC(=O)CC(C)(C)C2CC2)[C@H](C)C1 ZINC001101940522 801996433 /nfs/dbraw/zinc/99/64/33/801996433.db2.gz HVWQRSZAXPRYIT-HUUCEWRRSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)C2(CC(C)C)CC2)[C@H](C)C1 ZINC001102033909 801997503 /nfs/dbraw/zinc/99/75/03/801997503.db2.gz GMUMGHQTYLQLPY-HZPDHXFCSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1C[N@H+](CCC2CC2)C[C@H]1C ZINC001102003807 801997511 /nfs/dbraw/zinc/99/75/11/801997511.db2.gz QHMHEOOPQWNIHK-GDBMZVCRSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](CNC(=O)CC(C)(C)CC)[C@H](C)C1 ZINC001102001615 801997625 /nfs/dbraw/zinc/99/76/25/801997625.db2.gz RTCDBLWYHRXEGP-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@](C)(F)CCCC)[C@H](C)C1 ZINC001102105167 801999372 /nfs/dbraw/zinc/99/93/72/801999372.db2.gz HPSPAELNHSHFJI-INMHGKMJSA-N 1 1 298.446 3.165 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](CC[C@H](C)F)C[C@H]1C ZINC001102219702 802000149 /nfs/dbraw/zinc/00/01/49/802000149.db2.gz QYUTVEMKOBKMBF-QLFBSQMISA-N 1 1 298.446 3.021 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](CCCCC)C[C@H]1C ZINC001102260766 802002118 /nfs/dbraw/zinc/00/21/18/802002118.db2.gz CGTVQJMYCDJBHL-BRWVUGGUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](CNC(=O)CC(C)=C(C)C)[C@H](C)C1 ZINC001102241152 802003117 /nfs/dbraw/zinc/00/31/17/802003117.db2.gz HLORPZCSSUGIHQ-IAGOWNOFSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](CNC(=O)C2(C)CCCCC2)[C@H](C)C1 ZINC001102318557 802003560 /nfs/dbraw/zinc/00/35/60/802003560.db2.gz YMCGWDMDGYRTOF-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CCCC2)C1 ZINC001102633014 802014602 /nfs/dbraw/zinc/01/46/02/802014602.db2.gz YJOQMELTKXJLNT-IUODEOHRSA-N 1 1 298.858 3.003 20 30 CGEDMO C=CC(C)(C)CC(=O)NCC[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC001103033477 802027733 /nfs/dbraw/zinc/02/77/33/802027733.db2.gz OJMLFFZPTZKXDD-HUUCEWRRSA-N 1 1 280.456 3.071 20 30 CGEDMO C=C(C)CCC(=O)NCC[C@@H]1C[N@@H+](C[C@@H](C)CC)C[C@H]1C ZINC001103040182 802028061 /nfs/dbraw/zinc/02/80/61/802028061.db2.gz JMYGIXKDFXIAFX-GVDBMIGSSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NCC[C@@H]1C[N@@H+](CCCC)C[C@H]1C ZINC001103346758 802032647 /nfs/dbraw/zinc/03/26/47/802032647.db2.gz RDQWPKGBBSVIEZ-BRWVUGGUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C=C)CC)C1 ZINC001103350260 802032860 /nfs/dbraw/zinc/03/28/60/802032860.db2.gz LYDCCSGAPHZOJV-BRWVUGGUSA-N 1 1 292.467 3.239 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@]2(CNC(=O)C3CCC3)CCC[C@@H]12 ZINC001107248589 802082168 /nfs/dbraw/zinc/08/21/68/802082168.db2.gz QAQQSKAWFVUTPF-SJLPKXTDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)F)CCC[C@@H]12 ZINC001107256480 802084415 /nfs/dbraw/zinc/08/44/15/802084415.db2.gz MFVOWKRMOSSVOF-RHSMWYFYSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C=C(/C)CC)C2 ZINC001109241119 802112779 /nfs/dbraw/zinc/11/27/79/802112779.db2.gz AQMRSLCZNUAVAQ-PLUDAVOASA-N 1 1 276.424 3.030 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C=C(/C)CC)C2 ZINC001109245481 802113127 /nfs/dbraw/zinc/11/31/27/802113127.db2.gz RQWYMLRADTWZKW-IELZJTPPSA-N 1 1 290.451 3.419 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C\Cl ZINC001109597616 802117663 /nfs/dbraw/zinc/11/76/63/802117663.db2.gz RATKNTOPECEEBB-MPPRPQTISA-N 1 1 296.842 3.063 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C/C=C\Cl ZINC001109597616 802117669 /nfs/dbraw/zinc/11/76/69/802117669.db2.gz RATKNTOPECEEBB-MPPRPQTISA-N 1 1 296.842 3.063 20 30 CGEDMO CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](F)CC)C2 ZINC001109609651 802119227 /nfs/dbraw/zinc/11/92/27/802119227.db2.gz FVAUIEIUBJHLQF-WCVJEAGWSA-N 1 1 298.446 3.426 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(CCC)CCC)C2 ZINC001109649030 802120876 /nfs/dbraw/zinc/12/08/76/802120876.db2.gz OTOFXAMXBUEZQZ-PMPSAXMXSA-N 1 1 278.440 3.110 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(C)C ZINC001109634302 802121422 /nfs/dbraw/zinc/12/14/22/802121422.db2.gz JORPOWSKJCBCRP-NCOADZHNSA-N 1 1 290.451 3.276 20 30 CGEDMO C=C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC)c1ccccc1 ZINC001110136856 802131336 /nfs/dbraw/zinc/13/13/36/802131336.db2.gz RSZMIYOGSPFKAD-OWSLCNJRSA-N 1 1 298.430 3.088 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CCCC1)C2 ZINC001110247181 802134725 /nfs/dbraw/zinc/13/47/25/802134725.db2.gz ZVOUALKFGMDDRV-ZACQAIPSSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC(C)C)C2 ZINC001110276392 802136217 /nfs/dbraw/zinc/13/62/17/802136217.db2.gz CPNCKNVRRIHJEL-VQHPVUNQSA-N 1 1 292.467 3.499 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC)C2 ZINC001110292847 802136419 /nfs/dbraw/zinc/13/64/19/802136419.db2.gz TXGRPABALYNPAO-FPCVCCKLSA-N 1 1 278.440 3.253 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)/C(C)=C\CC)C2 ZINC001110349682 802137953 /nfs/dbraw/zinc/13/79/53/802137953.db2.gz UMAWVOMYGVWUPD-VVOBYUKESA-N 1 1 276.424 3.030 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)/C=C(\C)C1CC1)C2 ZINC001110340466 802138674 /nfs/dbraw/zinc/13/86/74/802138674.db2.gz NBOLKVCSCRIZBB-OVPLUVTGSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)/C=C(/C)CC)C2 ZINC001110535599 802144091 /nfs/dbraw/zinc/14/40/91/802144091.db2.gz RQWYMLRADTWZKW-CPBXFLTDSA-N 1 1 290.451 3.419 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C\Cl ZINC001110602338 802146852 /nfs/dbraw/zinc/14/68/52/802146852.db2.gz NFUZNSKLZXXOJN-FQXOTRPFSA-N 1 1 296.842 3.063 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C/C=C\Cl ZINC001110602338 802146857 /nfs/dbraw/zinc/14/68/57/802146857.db2.gz NFUZNSKLZXXOJN-FQXOTRPFSA-N 1 1 296.842 3.063 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(C)C ZINC001110933322 802150999 /nfs/dbraw/zinc/15/09/99/802150999.db2.gz JORPOWSKJCBCRP-VQHPVUNQSA-N 1 1 290.451 3.276 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2CC2)C1 ZINC001111559796 802161419 /nfs/dbraw/zinc/16/14/19/802161419.db2.gz GNJHGBDVLOXWQW-HFTRVMKXSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)C(C)C)C1 ZINC001111888300 802171128 /nfs/dbraw/zinc/17/11/28/802171128.db2.gz KLOLLMYTRJNFHS-DZKIICNBSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)C(C)C)C1 ZINC001111888300 802171130 /nfs/dbraw/zinc/17/11/30/802171130.db2.gz KLOLLMYTRJNFHS-DZKIICNBSA-N 1 1 298.858 3.002 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)CC(C)C)C1 ZINC001111917917 802171748 /nfs/dbraw/zinc/17/17/48/802171748.db2.gz AWAZWMZAZHWVKY-BQFCYCMXSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCCCC[NH+]1CCN(C(=O)[C@@H](CC)SC)CC1 ZINC001112767898 802188948 /nfs/dbraw/zinc/18/89/48/802188948.db2.gz JJYTZBCLPWTVNF-OAHLLOKOSA-N 1 1 298.496 3.019 20 30 CGEDMO C=C[C@@H](C)[C@@H](C)C(=O)N1CC[NH+](CC2=CCCCC2)CC1 ZINC001113226643 802206218 /nfs/dbraw/zinc/20/62/18/802206218.db2.gz IWRLMXGDXMNHPL-HZPDHXFCSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)C[C@@H](CC)C(C)(C)C)CC1 ZINC001113528479 802229455 /nfs/dbraw/zinc/22/94/55/802229455.db2.gz BEBHACMLVLWFRS-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC(C)C ZINC001113846715 802234402 /nfs/dbraw/zinc/23/44/02/802234402.db2.gz MEVHXJLGFQJACL-VQFNDLOPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)C(C)C ZINC001114338077 802241971 /nfs/dbraw/zinc/24/19/71/802241971.db2.gz DPXUSPLYLUTSSL-CAOSSQGBSA-N 1 1 292.467 3.070 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](CC)CCCC ZINC001114592939 802242773 /nfs/dbraw/zinc/24/27/73/802242773.db2.gz NNGHZWBDMNERKZ-LISAXSMJSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC001114791918 802245801 /nfs/dbraw/zinc/24/58/01/802245801.db2.gz LRIAUSLITWMWAB-BORJPKMPSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@](C)(CC)CCC ZINC001115028074 802251095 /nfs/dbraw/zinc/25/10/95/802251095.db2.gz GWQOBPCJFRLXMB-ORIJERBGSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@](C)(CC)CCC ZINC001115028074 802251101 /nfs/dbraw/zinc/25/11/01/802251101.db2.gz GWQOBPCJFRLXMB-ORIJERBGSA-N 1 1 298.858 3.002 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](CC)C(C)C ZINC001115145826 802252850 /nfs/dbraw/zinc/25/28/50/802252850.db2.gz ONXOORBIFDXQMO-LISAXSMJSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](CC)C(C)C ZINC001115145876 802253064 /nfs/dbraw/zinc/25/30/64/802253064.db2.gz PNGSSLNVVAYLMG-CBZIJGRNSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)C(C)(C)C ZINC001115173955 802254163 /nfs/dbraw/zinc/25/41/63/802254163.db2.gz HHCKLAGWPCRMMG-AIANPOQGSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CCC)CC(C)C ZINC001115320361 802256252 /nfs/dbraw/zinc/25/62/52/802256252.db2.gz LAHCRDXGRWPIRI-MWDXBVQZSA-N 1 1 292.467 3.071 20 30 CGEDMO N#CCCCC[N@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001116350105 802333908 /nfs/dbraw/zinc/33/39/08/802333908.db2.gz SLFGYBXXFRZBJU-CQSZACIVSA-N 1 1 282.391 3.436 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](CCOc2ccc(F)cc2Cl)C1 ZINC001116541805 802374531 /nfs/dbraw/zinc/37/45/31/802374531.db2.gz MSHQCPBZQIFFJK-CYBMUJFWSA-N 1 1 299.773 3.135 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cn2cc(-c3ccc(C)cc3)cn2)C1 ZINC001116539602 802374717 /nfs/dbraw/zinc/37/47/17/802374717.db2.gz ZIASXGMKXKRNPV-SFHVURJKSA-N 1 1 297.402 3.093 20 30 CGEDMO CCCCCCCC[C@@H](CC)n1cnc(C[NH3+])n1 ZINC001172501239 808356900 /nfs/dbraw/zinc/35/69/00/808356900.db2.gz ASPNDUUMRNIJOJ-CYBMUJFWSA-N 1 1 252.406 3.439 20 30 CGEDMO CCCCCCCC[C@@H](CCC)N(CC[NH3+])CCO ZINC001173308545 808604973 /nfs/dbraw/zinc/60/49/73/808604973.db2.gz AVCNTMSIXZBLGL-MRXNPFEDSA-N 1 1 272.477 3.159 20 30 CGEDMO C#CCCCC(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC001117764693 802490378 /nfs/dbraw/zinc/49/03/78/802490378.db2.gz QXOMQJUIOQMYNP-UHFFFAOYSA-N 1 1 281.359 3.043 20 30 CGEDMO C#CC[N@H+](Cc1cccc(F)c1OC(F)F)CC1CC1 ZINC001118496189 802577833 /nfs/dbraw/zinc/57/78/33/802577833.db2.gz QAUCJQONHJXCBD-UHFFFAOYSA-N 1 1 283.293 3.272 20 30 CGEDMO C=CCn1cnn(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)c1=S ZINC001118534749 802580282 /nfs/dbraw/zinc/58/02/82/802580282.db2.gz DMZITLABORAVCH-KBPBESRZSA-N 1 1 292.452 3.212 20 30 CGEDMO C=CCn1cnn(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)c1=S ZINC001118534749 802580287 /nfs/dbraw/zinc/58/02/87/802580287.db2.gz DMZITLABORAVCH-KBPBESRZSA-N 1 1 292.452 3.212 20 30 CGEDMO C=CC[N@@H+](CCSc1ccncc1)CCc1ccco1 ZINC001119777023 802699404 /nfs/dbraw/zinc/69/94/04/802699404.db2.gz PGVZGURKULHQME-UHFFFAOYSA-N 1 1 288.416 3.497 20 30 CGEDMO CS[C@@H]1CC[C@@H]([N@@H+](C)CC#Cc2ccccc2)C1 ZINC001119929105 802708590 /nfs/dbraw/zinc/70/85/90/802708590.db2.gz JDKAJHRETPXTEB-HZPDHXFCSA-N 1 1 259.418 3.254 20 30 CGEDMO C=CC[C@H]([NH2+]C[C@H]1CCC[C@H](CC)C1)C(=O)OCC ZINC001181457964 810053608 /nfs/dbraw/zinc/05/36/08/810053608.db2.gz RZDCALDZEPILAW-KKUMJFAQSA-N 1 1 267.413 3.300 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCC(=C)C)C1 ZINC001120393741 802744448 /nfs/dbraw/zinc/74/44/48/802744448.db2.gz XDRNYOIMYOZNAC-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cccs2)CC[C@@H]1C ZINC001131771175 803343568 /nfs/dbraw/zinc/34/35/68/803343568.db2.gz FNLRLCAWODMQRH-KBPBESRZSA-N 1 1 292.448 3.297 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)CC(C)(C)C)CC[C@H]1C ZINC001131839749 803349846 /nfs/dbraw/zinc/34/98/46/803349846.db2.gz UOIZHBPKPXFHBD-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@H+]1C[C@H](NC(=O)CSC(C)C)CC[C@H]1C ZINC001131866189 803352860 /nfs/dbraw/zinc/35/28/60/803352860.db2.gz VXOMTVQJGJDGKV-HUUCEWRRSA-N 1 1 298.496 3.063 20 30 CGEDMO C=CCCC[N@H+]1C[C@H](NC(=O)/C(C)=C/CC)CC[C@@H]1C ZINC001131871726 803353791 /nfs/dbraw/zinc/35/37/91/803353791.db2.gz WOMIYZHKVVRKBD-IYSULOHHSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC2CC(C)(C)C2)C1 ZINC001131894959 803355923 /nfs/dbraw/zinc/35/59/23/803355923.db2.gz DOJLPMSWROVHBF-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)C=C2CCC2)CC[C@@H]1C ZINC001131954687 803361151 /nfs/dbraw/zinc/36/11/51/803361151.db2.gz DWLYNDLSHFDFCX-HOCLYGCPSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(=C)C)C1 ZINC001132056988 803369179 /nfs/dbraw/zinc/36/91/79/803369179.db2.gz ICPBBETWFUZVGF-WBVHZDCISA-N 1 1 290.451 3.300 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)CCC(=C)C)CC[C@H]1C ZINC001132072521 803371737 /nfs/dbraw/zinc/37/17/37/803371737.db2.gz LPWMSJWDIFWRED-CVEARBPZSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(C)C)C1 ZINC001132060610 803371802 /nfs/dbraw/zinc/37/18/02/803371802.db2.gz IMTDYYXJPCDVCB-CABCVRRESA-N 1 1 280.456 3.214 20 30 CGEDMO CC#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC=C(C)C)C1 ZINC001132224861 803380711 /nfs/dbraw/zinc/38/07/11/803380711.db2.gz RHDVXMZSLGEFKM-SJORKVTESA-N 1 1 290.451 3.115 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](CCCCCF)C1 ZINC001132228044 803382261 /nfs/dbraw/zinc/38/22/61/803382261.db2.gz LLNQNVCLYWREBM-GJZGRUSLSA-N 1 1 298.446 3.308 20 30 CGEDMO CC#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCCCC)C1 ZINC001132223575 803382441 /nfs/dbraw/zinc/38/24/41/803382441.db2.gz FDAGEUMVYBKREP-SJORKVTESA-N 1 1 292.467 3.339 20 30 CGEDMO C#CCCCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC(=C)C)C1 ZINC001132228289 803383344 /nfs/dbraw/zinc/38/33/44/803383344.db2.gz OMWRYXGDVCZJBX-IRXDYDNUSA-N 1 1 290.451 3.115 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](CCC(C)C)C1 ZINC001132228196 803384239 /nfs/dbraw/zinc/38/42/39/803384239.db2.gz NPILXIBRDMFDBY-GJZGRUSLSA-N 1 1 280.456 3.214 20 30 CGEDMO C#CCCCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(C)C)C1 ZINC001132241517 803385106 /nfs/dbraw/zinc/38/51/06/803385106.db2.gz VRWVLHWDVYVILT-SJORKVTESA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](CCC(=C)C)C1 ZINC001132256093 803389272 /nfs/dbraw/zinc/38/92/72/803389272.db2.gz JEHPTRIXASYLRB-HOTGVXAUSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC3CC3)C2)CCC1 ZINC001132281465 803390933 /nfs/dbraw/zinc/39/09/33/803390933.db2.gz CIOZPXNGMWBOJP-GDBMZVCRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)C2(C(C)C)CC2)CC[C@H]1C ZINC001132274418 803391147 /nfs/dbraw/zinc/39/11/47/803391147.db2.gz TWEKLLYQFDVESO-CVEARBPZSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCC[N@H+]1C[C@H](NC(=O)C2(CC)CC2)CC[C@@H]1C ZINC001132287681 803391899 /nfs/dbraw/zinc/39/18/99/803391899.db2.gz IWMXZBHWPWPNBM-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO COCC[N@@H+](C)Cc1ccnc(-c2cccc(C#N)c2C)c1 ZINC001244815536 803534284 /nfs/dbraw/zinc/53/42/84/803534284.db2.gz IGWKNHDXUMGVHE-UHFFFAOYSA-N 1 1 295.386 3.007 20 30 CGEDMO Cc1ccc2c(C[N@@H+]3CCC[C@@H](C#N)C3)c[nH]c2c1 ZINC001136974681 803666124 /nfs/dbraw/zinc/66/61/24/803666124.db2.gz ILWCFSYIPBNJJI-ZDUSSCGKSA-N 1 1 253.349 3.212 20 30 CGEDMO Cc1ccc2c(C[N@H+]3CCC[C@@H](C#N)C3)c[nH]c2c1 ZINC001136974681 803666125 /nfs/dbraw/zinc/66/61/25/803666125.db2.gz ILWCFSYIPBNJJI-ZDUSSCGKSA-N 1 1 253.349 3.212 20 30 CGEDMO N#CCOc1ccc(C[N@@H+]2CCC[C@H]2c2nccs2)cc1 ZINC001137120306 803685250 /nfs/dbraw/zinc/68/52/50/803685250.db2.gz CIQSQYUMXSBSHJ-HNNXBMFYSA-N 1 1 299.399 3.383 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CCC[C@H]2c2nccs2)cc1 ZINC001137120306 803685252 /nfs/dbraw/zinc/68/52/52/803685252.db2.gz CIQSQYUMXSBSHJ-HNNXBMFYSA-N 1 1 299.399 3.383 20 30 CGEDMO COc1ccc(C[N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c(C#N)c1 ZINC001137699240 803759500 /nfs/dbraw/zinc/75/95/00/803759500.db2.gz ABBSJAWXHKOJHP-DOMZBBRYSA-N 1 1 292.329 3.044 20 30 CGEDMO COc1ccc(C[N@H+]2CCC23CCCC3)c(C#N)c1 ZINC001137699624 803760585 /nfs/dbraw/zinc/76/05/85/803760585.db2.gz NVUZOYPPFFMUBC-UHFFFAOYSA-N 1 1 256.349 3.085 20 30 CGEDMO N#CC1(c2ccccc2)CC[NH+](Cc2ccc(F)nc2)CC1 ZINC001137735283 803766914 /nfs/dbraw/zinc/76/69/14/803766914.db2.gz NRGCZGJKFWQTOC-UHFFFAOYSA-N 1 1 295.361 3.278 20 30 CGEDMO Cc1cc(C[N@@H+]2CC[C@H](C#N)C2)c(C)n1-c1ccccc1 ZINC001137859437 803788406 /nfs/dbraw/zinc/78/84/06/803788406.db2.gz YHJAXIOSWFNCBS-MRXNPFEDSA-N 1 1 279.387 3.440 20 30 CGEDMO Cc1cc(C[N@H+]2CC[C@H](C#N)C2)c(C)n1-c1ccccc1 ZINC001137859437 803788414 /nfs/dbraw/zinc/78/84/14/803788414.db2.gz YHJAXIOSWFNCBS-MRXNPFEDSA-N 1 1 279.387 3.440 20 30 CGEDMO C(#Cc1ccc(C[N@H+]2CCCOCC2)cc1)c1ccccc1 ZINC001138333902 803896147 /nfs/dbraw/zinc/89/61/47/803896147.db2.gz WGMQUKCOSMSQKR-UHFFFAOYSA-N 1 1 291.394 3.309 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCCC[C@@H](F)C2)cc1 ZINC001138556014 803965917 /nfs/dbraw/zinc/96/59/17/803965917.db2.gz AYZFZIGJWZBSLY-OAHLLOKOSA-N 1 1 261.340 3.023 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC001138557332 803966188 /nfs/dbraw/zinc/96/61/88/803966188.db2.gz HNNMQJAGFJSWQT-WMZOPIPTSA-N 1 1 269.388 3.463 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2cncn2Cc2ccccc2)CC1 ZINC001138563175 803968121 /nfs/dbraw/zinc/96/81/21/803968121.db2.gz GUWAMJTWNGXYSK-MRXNPFEDSA-N 1 1 294.402 3.057 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2cncn2Cc2ccccc2)CC1 ZINC001138563175 803968126 /nfs/dbraw/zinc/96/81/26/803968126.db2.gz GUWAMJTWNGXYSK-MRXNPFEDSA-N 1 1 294.402 3.057 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1CCCC(=O)[C@@H](C)C1 ZINC001138662893 803997067 /nfs/dbraw/zinc/99/70/67/803997067.db2.gz GTOOJSIMORFIPF-HNNXBMFYSA-N 1 1 287.403 3.443 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CCCC(=O)[C@@H](C)C1 ZINC001138662893 803997071 /nfs/dbraw/zinc/99/70/71/803997071.db2.gz GTOOJSIMORFIPF-HNNXBMFYSA-N 1 1 287.403 3.443 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[NH2+][C@H]1CCC[C@@H]1N ZINC001245996491 804095064 /nfs/dbraw/zinc/09/50/64/804095064.db2.gz VQFMRDWWMMLTPP-ULQDDVLXSA-N 1 1 284.488 3.348 20 30 CGEDMO C=CCOc1ccccc1CN1CC[N@H+](C(C)C)[C@@H](C)C1 ZINC001139031032 804113604 /nfs/dbraw/zinc/11/36/04/804113604.db2.gz QADFJZXLHCGBMI-INIZCTEOSA-N 1 1 288.435 3.166 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@@]12CCOC2 ZINC001139030312 804114769 /nfs/dbraw/zinc/11/47/69/804114769.db2.gz JAXKOYMVRAKQNR-KRWDZBQOSA-N 1 1 273.376 3.006 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc3c(ccn3C)c2)C1 ZINC001139190392 804153938 /nfs/dbraw/zinc/15/39/38/804153938.db2.gz OSZOLCYZXJAGCU-CQSZACIVSA-N 1 1 252.361 3.024 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc3ccn(C)c3c2)C1 ZINC001139207042 804163645 /nfs/dbraw/zinc/16/36/45/804163645.db2.gz QTUFTLUEWPEDND-CQSZACIVSA-N 1 1 252.361 3.024 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](F)C(F)(F)CC2)c1 ZINC001139646784 804243858 /nfs/dbraw/zinc/24/38/58/804243858.db2.gz LWAITSJOTKZFKU-ZDUSSCGKSA-N 1 1 286.272 3.267 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](F)C(F)(F)CC2)c1 ZINC001139646784 804243864 /nfs/dbraw/zinc/24/38/64/804243864.db2.gz LWAITSJOTKZFKU-ZDUSSCGKSA-N 1 1 286.272 3.267 20 30 CGEDMO Cc1nc2cc(C)ccn2c1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001139676243 804250673 /nfs/dbraw/zinc/25/06/73/804250673.db2.gz DOAFETROHURAAC-PHZGNYQRSA-N 1 1 294.402 3.218 20 30 CGEDMO CC1(C)[C@@H]2C[N@@H+](Cc3cccc(Cl)c3C#N)C[C@@H]21 ZINC001139692178 804256206 /nfs/dbraw/zinc/25/62/06/804256206.db2.gz QEKVCSPLZXMXHJ-BETUJISGSA-N 1 1 260.768 3.299 20 30 CGEDMO CC1(C)[C@@H]2C[N@H+](Cc3cccc(Cl)c3C#N)C[C@@H]21 ZINC001139692178 804256215 /nfs/dbraw/zinc/25/62/15/804256215.db2.gz QEKVCSPLZXMXHJ-BETUJISGSA-N 1 1 260.768 3.299 20 30 CGEDMO N#Cc1cccc2c(C[N@H+]3C[C@@H]4CCC[C@@H]4C3)c[nH]c21 ZINC001139701748 804259401 /nfs/dbraw/zinc/25/94/01/804259401.db2.gz OZOHMZBGVSCMHJ-OKILXGFUSA-N 1 1 265.360 3.271 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2c[nH]c3c2cccc3C#N)C2(CC2)C1 ZINC001139707039 804261084 /nfs/dbraw/zinc/26/10/84/804261084.db2.gz NUIVXGMOZIUXOO-GFCCVEGCSA-N 1 1 265.360 3.414 20 30 CGEDMO Cc1cc(O)cc(C)c1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001139714463 804262336 /nfs/dbraw/zinc/26/23/36/804262336.db2.gz BMFQNMQQSWWUPN-CQSZACIVSA-N 1 1 258.365 3.135 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)cc1C#N ZINC001139722860 804266559 /nfs/dbraw/zinc/26/65/59/804266559.db2.gz JPWWMDYPFFWZKZ-IAGOWNOFSA-N 1 1 282.387 3.200 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)cc1C#N ZINC001139722860 804266568 /nfs/dbraw/zinc/26/65/68/804266568.db2.gz JPWWMDYPFFWZKZ-IAGOWNOFSA-N 1 1 282.387 3.200 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)cc1C#N ZINC001139724187 804266824 /nfs/dbraw/zinc/26/68/24/804266824.db2.gz JKQNEKCKPRPMSV-JKSUJKDBSA-N 1 1 254.377 3.489 20 30 CGEDMO Cc1ccc(C[N@@H+](C)C[C@H]2Cc3ccccc3O2)cc1C#N ZINC001139728814 804268938 /nfs/dbraw/zinc/26/89/38/804268938.db2.gz GWIMKUZXVRMJSI-GOSISDBHSA-N 1 1 292.382 3.302 20 30 CGEDMO C=CCn1cc(C[N@@H+](C)CCc2ccc(Cl)cc2)cn1 ZINC001139772601 804277515 /nfs/dbraw/zinc/27/75/15/804277515.db2.gz LWLQUBLEZJEDJT-UHFFFAOYSA-N 1 1 289.810 3.397 20 30 CGEDMO CCCCCCCC[N@@H+](C)Cc1cnn(CCOC)c1 ZINC001139781540 804279844 /nfs/dbraw/zinc/27/98/44/804279844.db2.gz PSLWPSWMDTZGJJ-UHFFFAOYSA-N 1 1 281.444 3.322 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)[C@H]1CCC[C@@H]1CCC ZINC001139874365 804306316 /nfs/dbraw/zinc/30/63/16/804306316.db2.gz WHNUDTOFRLPZLN-HOTGVXAUSA-N 1 1 280.456 3.169 20 30 CGEDMO COC(C)(C)[C@@H]1CCC[N@H+]1Cc1cc(F)cc(C#N)c1 ZINC001139875656 804306948 /nfs/dbraw/zinc/30/69/48/804306948.db2.gz YOLCDXAJAWLVBE-HNNXBMFYSA-N 1 1 276.355 3.087 20 30 CGEDMO C#CC1(N[C@@H]2CC[NH2+]C3(CCCCC3)C2)CCCCC1 ZINC001246464871 804345637 /nfs/dbraw/zinc/34/56/37/804345637.db2.gz UODARILSGCSTMB-MRXNPFEDSA-N 1 1 274.452 3.367 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cc3ccccc3cn2)C1 ZINC001139998747 804347490 /nfs/dbraw/zinc/34/74/90/804347490.db2.gz CFRNJFOHHZXMCA-AWEZNQCLSA-N 1 1 250.345 3.080 20 30 CGEDMO CCCCCCCC[C@H](CC)[N@H+]1CCNC[C@@H]1COC ZINC001246597063 804437062 /nfs/dbraw/zinc/43/70/62/804437062.db2.gz QXNGTPIFIHHONG-DLBZAZTESA-N 1 1 284.488 3.436 20 30 CGEDMO CCCCCCCC[C@H](CC)N1CC[NH2+]C[C@@H]1COC ZINC001246597063 804437066 /nfs/dbraw/zinc/43/70/66/804437066.db2.gz QXNGTPIFIHHONG-DLBZAZTESA-N 1 1 284.488 3.436 20 30 CGEDMO COc1ccccc1C[C@H](C)[N@@H+](C)Cc1ccc(C#N)nc1 ZINC001140546846 804457727 /nfs/dbraw/zinc/45/77/27/804457727.db2.gz WTUNWZLVIWXFLX-AWEZNQCLSA-N 1 1 295.386 3.025 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](Cc3ccccc3)C2)cn1 ZINC001140543468 804458395 /nfs/dbraw/zinc/45/83/95/804458395.db2.gz AOHGXCJFVBYDPJ-MRXNPFEDSA-N 1 1 277.371 3.018 20 30 CGEDMO N#Cc1cc(Nc2ccc[nH+]c2N)ccc1N1CCCCC1 ZINC001212404023 815019654 /nfs/dbraw/zinc/01/96/54/815019654.db2.gz HSPUDTDJZSNKDS-UHFFFAOYSA-N 1 1 293.374 3.269 20 30 CGEDMO N#Cc1ccc(C(F)(F)F)c(Nc2ccc[nH+]c2N)c1 ZINC001212404328 815020695 /nfs/dbraw/zinc/02/06/95/815020695.db2.gz YHQMWQUGXVMWSN-UHFFFAOYSA-N 1 1 278.237 3.298 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)ccc1N ZINC001140715175 804495112 /nfs/dbraw/zinc/49/51/12/804495112.db2.gz LPXXODDOOACHCH-UHFFFAOYSA-N 1 1 285.778 3.426 20 30 CGEDMO CCCC[C@H]1C[C@H](N(C)Cc2ccc(C#N)cc2)CC[NH2+]1 ZINC001246768156 804500453 /nfs/dbraw/zinc/50/04/53/804500453.db2.gz FDTCBKKTZXHKKV-ZWKOTPCHSA-N 1 1 285.435 3.301 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@@H+]1CCn2cnc(CO)c2C1 ZINC001246718296 804501331 /nfs/dbraw/zinc/50/13/31/804501331.db2.gz ZJAZHRRQTIWIPU-OAHLLOKOSA-N 1 1 293.455 3.330 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CCn2cnc(CO)c2C1 ZINC001246718296 804501337 /nfs/dbraw/zinc/50/13/37/804501337.db2.gz ZJAZHRRQTIWIPU-OAHLLOKOSA-N 1 1 293.455 3.330 20 30 CGEDMO CC1CC[NH+](Cc2cc(F)c(C#N)c(F)c2)CC1 ZINC001140750882 804505028 /nfs/dbraw/zinc/50/50/28/804505028.db2.gz ARUCOAFQTOXXJX-UHFFFAOYSA-N 1 1 250.292 3.068 20 30 CGEDMO N#CCC1CCN([C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256919734 807010790 /nfs/dbraw/zinc/01/07/90/807010790.db2.gz YTAVMEFLKZZPNV-KRWDZBQOSA-N 1 1 275.440 3.019 20 30 CGEDMO N#CCC1CC[NH+]([C@H]2CCCN(C3CCCC3)C2)CC1 ZINC001256919734 807010795 /nfs/dbraw/zinc/01/07/95/807010795.db2.gz YTAVMEFLKZZPNV-KRWDZBQOSA-N 1 1 275.440 3.019 20 30 CGEDMO Cc1ncccc1C[N@H+](C)Cc1cc(F)c(C#N)c(F)c1 ZINC001140757343 804506110 /nfs/dbraw/zinc/50/61/10/804506110.db2.gz ZAZSXUINHPZIFQ-UHFFFAOYSA-N 1 1 287.313 3.172 20 30 CGEDMO Cc1ncccc1C[N@@H+](C)Cc1cc(F)c(C#N)c(F)c1 ZINC001140757343 804506113 /nfs/dbraw/zinc/50/61/13/804506113.db2.gz ZAZSXUINHPZIFQ-UHFFFAOYSA-N 1 1 287.313 3.172 20 30 CGEDMO C[N@H+](Cc1cc(F)c(C#N)c(F)c1)CC1CCC1 ZINC001140753622 804506924 /nfs/dbraw/zinc/50/69/24/804506924.db2.gz JBNAYXBRHIXBPH-UHFFFAOYSA-N 1 1 250.292 3.068 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+](CC)C3CC[NH2+]CC3)C[C@H](C1)C2 ZINC001246794664 804518134 /nfs/dbraw/zinc/51/81/34/804518134.db2.gz AHQCXRCGNKDEDO-FKEKPDDDSA-N 1 1 262.441 3.195 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+](CC)C3CCNCC3)C[C@H](C1)C2 ZINC001246794664 804518139 /nfs/dbraw/zinc/51/81/39/804518139.db2.gz AHQCXRCGNKDEDO-FKEKPDDDSA-N 1 1 262.441 3.195 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+](CC)C3CCNCC3)C[C@H](C1)C2 ZINC001246794664 804518144 /nfs/dbraw/zinc/51/81/44/804518144.db2.gz AHQCXRCGNKDEDO-FKEKPDDDSA-N 1 1 262.441 3.195 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1Cl ZINC001140808255 804525754 /nfs/dbraw/zinc/52/57/54/804525754.db2.gz NPCJVXGBEBPPRO-HIFRSBDPSA-N 1 1 290.794 3.213 20 30 CGEDMO N#CC1CCC([N@@H+]2CCc3cc(F)ccc3C2)CC1 ZINC001256973733 807022846 /nfs/dbraw/zinc/02/28/46/807022846.db2.gz WOYVTSIFFRCMFI-UHFFFAOYSA-N 1 1 258.340 3.266 20 30 CGEDMO Cc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)c(O)c1 ZINC001140954494 804557994 /nfs/dbraw/zinc/55/79/94/804557994.db2.gz UQULJEXAVPDBQB-UHFFFAOYSA-N 1 1 266.344 3.204 20 30 CGEDMO COc1cc(C[N@@H+](C)C2CCC(C#N)CC2)cc(OC)c1 ZINC001256968903 807018968 /nfs/dbraw/zinc/01/89/68/807018968.db2.gz RTUXWMHEPBCDPR-UHFFFAOYSA-N 1 1 288.391 3.218 20 30 CGEDMO N#Cc1ccc(C2CCC([N@@H+]3C[C@H]4CC[C@@]4(N)C3)CC2)cc1 ZINC001246862752 804566911 /nfs/dbraw/zinc/56/69/11/804566911.db2.gz RCKNZRUIQFBQKF-JWHDQAAXSA-N 1 1 295.430 3.008 20 30 CGEDMO N#Cc1ccc(C2CCC([N@H+]3C[C@H]4CC[C@@]4(N)C3)CC2)cc1 ZINC001246862752 804566915 /nfs/dbraw/zinc/56/69/15/804566915.db2.gz RCKNZRUIQFBQKF-JWHDQAAXSA-N 1 1 295.430 3.008 20 30 CGEDMO C[N@@H+](Cc1sc(N)c(C#N)c1Cl)C1CCCC1 ZINC001141112266 804592156 /nfs/dbraw/zinc/59/21/56/804592156.db2.gz WCMAHJMDZUJMDU-UHFFFAOYSA-N 1 1 269.801 3.230 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc3cc(F)ccc3n2)C1 ZINC001141648817 804661022 /nfs/dbraw/zinc/66/10/22/804661022.db2.gz GOCVJBSRXYZWIK-ZDUSSCGKSA-N 1 1 268.335 3.219 20 30 CGEDMO N#C[C@@H]1CC[N@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC001142843927 804773766 /nfs/dbraw/zinc/77/37/66/804773766.db2.gz DQYJWXXYJQFTIP-HNNXBMFYSA-N 1 1 263.344 3.094 20 30 CGEDMO N#C[C@@H]1CC[N@@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC001142843927 804773772 /nfs/dbraw/zinc/77/37/72/804773772.db2.gz DQYJWXXYJQFTIP-HNNXBMFYSA-N 1 1 263.344 3.094 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2ccc(C(C)=O)cc2F)no1 ZINC001247623047 804784917 /nfs/dbraw/zinc/78/49/17/804784917.db2.gz WGPVZWNFDMXFND-ZDUSSCGKSA-N 1 1 289.310 3.044 20 30 CGEDMO N#Cc1ccc2c(C[N@H+]3CCC4(CCC4)C3)c[nH]c2c1 ZINC001142922751 804784980 /nfs/dbraw/zinc/78/49/80/804784980.db2.gz TWMOPRSFJVPEKT-UHFFFAOYSA-N 1 1 265.360 3.416 20 30 CGEDMO COCC[C@H]1CCCC[N@@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143171281 804814366 /nfs/dbraw/zinc/81/43/66/804814366.db2.gz WAIGLCKAAYQGGQ-CYBMUJFWSA-N 1 1 294.345 3.227 20 30 CGEDMO COCC[C@H]1CCCC[N@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143171281 804814372 /nfs/dbraw/zinc/81/43/72/804814372.db2.gz WAIGLCKAAYQGGQ-CYBMUJFWSA-N 1 1 294.345 3.227 20 30 CGEDMO COc1cc(F)c(F)cc1C[NH+]1CCC(CC#N)CC1 ZINC001143394770 804847447 /nfs/dbraw/zinc/84/74/47/804847447.db2.gz PVLWOCBRTWZXDB-UHFFFAOYSA-N 1 1 280.318 3.099 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2cc(F)cc(Cl)c2)no1 ZINC001247966944 804859067 /nfs/dbraw/zinc/85/90/67/804859067.db2.gz JQMWTEQNLDGQNM-JTQLQIEISA-N 1 1 267.691 3.105 20 30 CGEDMO N#Cc1cccc(Cl)c1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001143716074 804887672 /nfs/dbraw/zinc/88/76/72/804887672.db2.gz CQDOFEDHKRLLRJ-XJKSGUPXSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1cccc(Cl)c1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001143716074 804887676 /nfs/dbraw/zinc/88/76/76/804887676.db2.gz CQDOFEDHKRLLRJ-XJKSGUPXSA-N 1 1 290.794 3.213 20 30 CGEDMO C[N@@H+](CC1COC1)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257020091 807029723 /nfs/dbraw/zinc/02/97/23/807029723.db2.gz ZSADPUPKUXVXLE-UHFFFAOYSA-N 1 1 284.403 3.163 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2cc[nH]c2n1 ZINC001144177750 804948576 /nfs/dbraw/zinc/94/85/76/804948576.db2.gz ZRYUXCVXUGJNSZ-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1C[C@@H](C)C[C@H]1CF ZINC001248748239 804982959 /nfs/dbraw/zinc/98/29/59/804982959.db2.gz CCVZMTLOGKSFDL-LRDDRELGSA-N 1 1 260.356 3.301 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)CC(C)(C)CC)C2)C1 ZINC001147616882 805140509 /nfs/dbraw/zinc/14/05/09/805140509.db2.gz RUAUYPSSWDLFHJ-UHFFFAOYSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)CC(C)(C)CC)C2)C1 ZINC001147616882 805140514 /nfs/dbraw/zinc/14/05/14/805140514.db2.gz RUAUYPSSWDLFHJ-UHFFFAOYSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(C)CC[N@H+]1CCC2(CN(C(=O)CCCC3CC3)C2)C1 ZINC001148104444 805162736 /nfs/dbraw/zinc/16/27/36/805162736.db2.gz KLZPTLMHYZKREO-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@H+](CCCCC)C2 ZINC001148126323 805163769 /nfs/dbraw/zinc/16/37/69/805163769.db2.gz XIKBRCYUEKLNFA-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CC[N@H+](CCCCC)C2 ZINC001148129744 805164128 /nfs/dbraw/zinc/16/41/28/805164128.db2.gz ICGRMYQSUKNZJL-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCCC(=O)N1CC2(C1)CC[N@H+](CCC(C)(C)C)C2 ZINC001148199185 805167624 /nfs/dbraw/zinc/16/76/24/805167624.db2.gz ACMVRFROQNFUHT-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(C2CC2)cs1 ZINC001249529392 805169586 /nfs/dbraw/zinc/16/95/86/805169586.db2.gz KKQVSNHTOODWBV-UOJUARBOSA-N 1 1 273.405 3.287 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(C2CC2)cs1 ZINC001249529392 805169593 /nfs/dbraw/zinc/16/95/93/805169593.db2.gz KKQVSNHTOODWBV-UOJUARBOSA-N 1 1 273.405 3.287 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC2(C1)CC[N@H+](CCC(C)C)C2 ZINC001148371032 805177430 /nfs/dbraw/zinc/17/74/30/805177430.db2.gz ICAYMTIGXSVMJN-UHFFFAOYSA-N 1 1 292.467 3.169 20 30 CGEDMO N#Cc1cccc(C#N)c1Nc1cc[nH+]cc1C(F)(F)F ZINC001249586463 805181455 /nfs/dbraw/zinc/18/14/55/805181455.db2.gz DQEOWXCFIQBVJS-UHFFFAOYSA-N 1 1 288.232 3.009 20 30 CGEDMO C=CCCC(=O)NC[C@@H](C)[N@@H+](CC)CCc1ccccc1 ZINC001152313570 805343785 /nfs/dbraw/zinc/34/37/85/805343785.db2.gz RLAAPLOTYYIWKK-MRXNPFEDSA-N 1 1 288.435 3.022 20 30 CGEDMO C=CCCC(=O)NC[C@@H](C)[N@@H+](CC)CCC1CCCC1 ZINC001152313437 805344255 /nfs/dbraw/zinc/34/42/55/805344255.db2.gz LRFMNFQHXGAVFP-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)CC ZINC001153007214 805379155 /nfs/dbraw/zinc/37/91/55/805379155.db2.gz PYGBMZMBXWJVNY-WCQYABFASA-N 1 1 274.836 3.002 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)CC ZINC001153007214 805379144 /nfs/dbraw/zinc/37/91/44/805379144.db2.gz PYGBMZMBXWJVNY-WCQYABFASA-N 1 1 274.836 3.002 20 30 CGEDMO CC[N@@H+](CCCC(C)(C)C)[C@H](C)CNC(=O)C#CC1CC1 ZINC001153233058 805388004 /nfs/dbraw/zinc/38/80/04/805388004.db2.gz VBJOUPJJCXWEPH-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1sccc1Cl ZINC001153507059 805400680 /nfs/dbraw/zinc/40/06/80/805400680.db2.gz LDEPEKJDWMDWPT-SNVBAGLBSA-N 1 1 286.828 3.028 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H](C)[N@@H+](CC)CC1CC(C)C1 ZINC001153625926 805408538 /nfs/dbraw/zinc/40/85/38/805408538.db2.gz PSKUJUAKZVCADT-HWOWSKLDSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)C1CCC2(CC2)CC1 ZINC001154351396 805451065 /nfs/dbraw/zinc/45/10/65/805451065.db2.gz FZQUPXJXZWENEF-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C#Cc1ccc(C(=O)NC[C@@H](C)[N@@H+](CC)CC=C(C)C)cc1 ZINC001154576714 805463879 /nfs/dbraw/zinc/46/38/79/805463879.db2.gz FFWRTSFUAZYXAK-MRXNPFEDSA-N 1 1 298.430 3.074 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)C/C=C/Cl ZINC001154750891 805483503 /nfs/dbraw/zinc/48/35/03/805483503.db2.gz FGAGINSDLQMYKF-GODNBWANSA-N 1 1 286.847 3.168 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(Cl)cc1C ZINC001155011560 805522974 /nfs/dbraw/zinc/52/29/74/805522974.db2.gz WUVJNMCXTZGWQJ-CYBMUJFWSA-N 1 1 294.826 3.275 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H](C)[N@@H+](CC)CC=C(C)C ZINC001155040660 805528677 /nfs/dbraw/zinc/52/86/77/805528677.db2.gz AMIRDNBOEYVNOK-NVXWUHKLSA-N 1 1 280.456 3.382 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)C1(CC=C)CCC1 ZINC001155061720 805531370 /nfs/dbraw/zinc/53/13/70/805531370.db2.gz FKLJAYPDKJGYGY-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO Cc1cccnc1O[C@H]1CCC[N@H+](C2CCC(C#N)CC2)C1 ZINC001256971385 807020232 /nfs/dbraw/zinc/02/02/32/807020232.db2.gz POYGTDSUELYWBO-JCYILVPMSA-N 1 1 299.418 3.316 20 30 CGEDMO C[C@@H]1C[C@H](O)C[N@H+]1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257016836 807028276 /nfs/dbraw/zinc/02/82/76/807028276.db2.gz JWDSMOGFSDSWSV-BQPQTXTPSA-N 1 1 284.403 3.040 20 30 CGEDMO C=CCN(Cc1ccccc1)c1cc(N(C)C)nc(C)[nH+]1 ZINC001167125886 807156003 /nfs/dbraw/zinc/15/60/03/807156003.db2.gz FBXCXKSLGATIQG-UHFFFAOYSA-N 1 1 282.391 3.044 20 30 CGEDMO CCCCCCCCC[N@@H+](C)C[C@H]1COCCO1 ZINC001167146848 807162530 /nfs/dbraw/zinc/16/25/30/807162530.db2.gz PWUQYZWXFGKBOP-HNNXBMFYSA-N 1 1 257.418 3.084 20 30 CGEDMO C=CC[N@@H+](CCC1C[C@@H](C)C[C@H](C)C1)CC(=O)OCC ZINC001167251854 807170912 /nfs/dbraw/zinc/17/09/12/807170912.db2.gz MAZWVNGGVOHWPN-GJZGRUSLSA-N 1 1 281.440 3.500 20 30 CGEDMO C=CC[N@H+](CCC1C[C@@H](C)C[C@H](C)C1)CC(=O)OCC ZINC001167251854 807170917 /nfs/dbraw/zinc/17/09/17/807170917.db2.gz MAZWVNGGVOHWPN-GJZGRUSLSA-N 1 1 281.440 3.500 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@H+]([C@@H](C)CCCCC)C2)C1=O ZINC001257513013 807188289 /nfs/dbraw/zinc/18/82/89/807188289.db2.gz QXYYEKBYNMCSQB-WMZOPIPTSA-N 1 1 292.467 3.456 20 30 CGEDMO COCC#CC[N@H+]1CCC[C@H](C)[C@H]1c1ccc(C)cc1 ZINC001167478068 807196457 /nfs/dbraw/zinc/19/64/57/807196457.db2.gz KREITHGHCFAMMV-WMZOPIPTSA-N 1 1 271.404 3.418 20 30 CGEDMO N#CCC[N@H+](Cc1ccccc1)[C@@H]1CCCSC1 ZINC001257667363 807208336 /nfs/dbraw/zinc/20/83/36/807208336.db2.gz CLEIYVYJTVPJNB-OAHLLOKOSA-N 1 1 260.406 3.298 20 30 CGEDMO N#CCC[N@@H+](Cc1ccccc1)[C@@H]1CCCSC1 ZINC001257667363 807208340 /nfs/dbraw/zinc/20/83/40/807208340.db2.gz CLEIYVYJTVPJNB-OAHLLOKOSA-N 1 1 260.406 3.298 20 30 CGEDMO COc1ccc(N[C@@H](C)c2cccc(C#N)c2)[nH+]c1C ZINC001167709475 807230915 /nfs/dbraw/zinc/23/09/15/807230915.db2.gz OWESBOVEBZDAOZ-NSHDSACASA-N 1 1 267.332 3.443 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCCC(=O)[C@H](F)C3)C[C@H](C1)C2 ZINC001257892094 807242419 /nfs/dbraw/zinc/24/24/19/807242419.db2.gz SUUWJMHPMPROPN-IZGVIRRGSA-N 1 1 265.372 3.124 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CCCC(=O)[C@H](F)C3)C[C@H](C1)C2 ZINC001257892094 807242424 /nfs/dbraw/zinc/24/24/24/807242424.db2.gz SUUWJMHPMPROPN-IZGVIRRGSA-N 1 1 265.372 3.124 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCC[C@H](N(C)C)C3)C[C@H](C1)C2 ZINC001257892750 807242477 /nfs/dbraw/zinc/24/24/77/807242477.db2.gz CHNBYRDNGLXFJD-TVXGVJEUSA-N 1 1 262.441 3.147 20 30 CGEDMO C=C1C[C@@H]2CC(N3CCC[N@H+]4CCC[C@H]4C3)C[C@H](C1)C2 ZINC001257893310 807242494 /nfs/dbraw/zinc/24/24/94/807242494.db2.gz PYRYRBZFNKKUJY-KTGAGVNESA-N 1 1 274.452 3.291 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCOC[C@H]3C3CC3)C[C@H](C1)C2 ZINC001257894494 807243775 /nfs/dbraw/zinc/24/37/75/807243775.db2.gz XNGMWFDZPFMSAX-ADNJVRNUSA-N 1 1 261.409 3.232 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3C[C@H]4CN(CC)C[C@H]4C3)C[C@H](C1)C2 ZINC001257894377 807243801 /nfs/dbraw/zinc/24/38/01/807243801.db2.gz RLLPUDKHPLQFLF-FVGDGBDSSA-N 1 1 274.452 3.005 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3C[C@H]4CN(CC)C[C@H]4C3)C[C@H](C1)C2 ZINC001257894377 807243807 /nfs/dbraw/zinc/24/38/07/807243807.db2.gz RLLPUDKHPLQFLF-FVGDGBDSSA-N 1 1 274.452 3.005 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CCOC[C@H]3C(C)C)C[C@H](C1)C2 ZINC001257895023 807245433 /nfs/dbraw/zinc/24/54/33/807245433.db2.gz HVVMRTXQPQYZNO-WFVVYAPDSA-N 1 1 263.425 3.478 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCC[C@@](C)(C(=O)OC)C3)C[C@H](C1)C2 ZINC001257895562 807245581 /nfs/dbraw/zinc/24/55/81/807245581.db2.gz TYWPPKLBOZFNAM-IXEWLPCDSA-N 1 1 291.435 3.396 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCC[C@]4(CCC(=O)O4)C3)C[C@H](C1)C2 ZINC001257895709 807245604 /nfs/dbraw/zinc/24/56/04/807245604.db2.gz YYNUZNDMMKVCAG-ONYGOOLBSA-N 1 1 289.419 3.293 20 30 CGEDMO C=CC[C@H]([NH2+][C@H](C)CCCCCCC)C(=O)OC ZINC001258039442 807271326 /nfs/dbraw/zinc/27/13/26/807271326.db2.gz QDDMZIPWERIPIV-KGLIPLIRSA-N 1 1 255.402 3.443 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(C)=O)C1 ZINC001258049249 807275622 /nfs/dbraw/zinc/27/56/22/807275622.db2.gz CJZYDKIDXDDTSI-GDBMZVCRSA-N 1 1 268.445 3.288 20 30 CGEDMO CCCCCCC[C@@H](C)[N@@H+]1CC(=O)N2CCC[C@H]2C1 ZINC001258050473 807276868 /nfs/dbraw/zinc/27/68/68/807276868.db2.gz VSQHFWVTZOECPK-CABCVRRESA-N 1 1 266.429 3.042 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@@H]1C[C@@H](OCCCC)C1(C)C ZINC001167960118 807286877 /nfs/dbraw/zinc/28/68/77/807286877.db2.gz SGOGGIAEEFTIRE-ARFHVFGLSA-N 1 1 283.456 3.229 20 30 CGEDMO C=CC[NH2+]C1C[C@@H](C)N(Cc2ccccc2)[C@H](C)C1 ZINC001168022502 807300877 /nfs/dbraw/zinc/30/08/77/807300877.db2.gz SMUZZWGMWMSTII-HUUCEWRRSA-N 1 1 258.409 3.204 20 30 CGEDMO CC[C@@H](C#N)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168029037 807301569 /nfs/dbraw/zinc/30/15/69/807301569.db2.gz RXKJJPFRSWRBRZ-MVJTYMMSSA-N 1 1 285.435 3.320 20 30 CGEDMO C[C@@H]1C[C@@H](N(C)CCC#N)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168041373 807303188 /nfs/dbraw/zinc/30/31/88/807303188.db2.gz SCTUXTWXHULXQL-ALXJQNPVSA-N 1 1 285.435 3.273 20 30 CGEDMO C=C(C)C(=O)OCCNc1[nH+]cc(C)c2ccccc21 ZINC001168069993 807303661 /nfs/dbraw/zinc/30/36/61/807303661.db2.gz COVIQRIFQGNQJI-UHFFFAOYSA-N 1 1 270.332 3.074 20 30 CGEDMO C#CCCCCCC[N@H+](C)CCN(C)C(=O)OC(C)(C)C ZINC001168214644 807351372 /nfs/dbraw/zinc/35/13/72/807351372.db2.gz GASWSIRHILIMBK-UHFFFAOYSA-N 1 1 296.455 3.369 20 30 CGEDMO COc1ccc(CC[C@@H](C)[N@H+]2CCC[C@H](C#N)C2)cc1 ZINC001258408709 807443131 /nfs/dbraw/zinc/44/31/31/807443131.db2.gz LSHBMCWXCAXVBE-GDBMZVCRSA-N 1 1 272.392 3.252 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@@H](C)CCc2ccc(OC)cc2)C1 ZINC001258408955 807443218 /nfs/dbraw/zinc/44/32/18/807443218.db2.gz PGDMYPRKWPYRRW-HOTGVXAUSA-N 1 1 271.404 3.362 20 30 CGEDMO C=CCC[C@H](C)[NH2+][C@@H](CCSC)C(=O)OC(C)(C)C ZINC001258718954 807567726 /nfs/dbraw/zinc/56/77/26/807567726.db2.gz YRTJDYMUQZOWNV-STQMWFEESA-N 1 1 287.469 3.394 20 30 CGEDMO C=CCC[C@@H](C)[NH2+][C@H](C(=O)OCC=C)[C@@H](C)CC ZINC001258718149 807567886 /nfs/dbraw/zinc/56/78/86/807567886.db2.gz IBHAVHVOUKJUFK-MJBXVCDLSA-N 1 1 253.386 3.075 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CCc1ccc(OC)cc1)C[C@@H](C)O ZINC001258726954 807574453 /nfs/dbraw/zinc/57/44/53/807574453.db2.gz ZIFPOPJCGPZEFX-JKSUJKDBSA-N 1 1 291.435 3.275 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CCc1ccc(OC)cc1)C[C@H](C)O ZINC001258726951 807574579 /nfs/dbraw/zinc/57/45/79/807574579.db2.gz ZIFPOPJCGPZEFX-CVEARBPZSA-N 1 1 291.435 3.275 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCn2c(COCC)cnc2[C@H]1C ZINC001258728150 807575157 /nfs/dbraw/zinc/57/51/57/807575157.db2.gz MIUCYVUSEKNARV-ZIAGYGMSSA-N 1 1 277.412 3.151 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CCn2c(COCC)cnc2[C@H]1C ZINC001258728150 807575162 /nfs/dbraw/zinc/57/51/62/807575162.db2.gz MIUCYVUSEKNARV-ZIAGYGMSSA-N 1 1 277.412 3.151 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001258730264 807575918 /nfs/dbraw/zinc/57/59/18/807575918.db2.gz CVUGVPPHOYCIBU-USXIJHARSA-N 1 1 279.424 3.001 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@](C)(C(=O)OCC)C1 ZINC001258732475 807577405 /nfs/dbraw/zinc/57/74/05/807577405.db2.gz MAMYSDDRBNNUMK-UKRRQHHQSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@](C)(C(=O)OCC)C1 ZINC001258732473 807577797 /nfs/dbraw/zinc/57/77/97/807577797.db2.gz MAMYSDDRBNNUMK-DZGCQCFKSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1Cc2ccc(C(=O)OC)cc2C1 ZINC001258733733 807579406 /nfs/dbraw/zinc/57/94/06/807579406.db2.gz MMBJTOLSCCIJDT-GFCCVEGCSA-N 1 1 259.349 3.144 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](CCC(=O)OCC)[C@H](CCC)COC ZINC001258733859 807580721 /nfs/dbraw/zinc/58/07/21/807580721.db2.gz NAGLHLYFRKYXKY-HZPDHXFCSA-N 1 1 299.455 3.411 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001258734593 807581022 /nfs/dbraw/zinc/58/10/22/807581022.db2.gz FYXJPJOFGTUWKL-KBPBESRZSA-N 1 1 282.428 3.188 20 30 CGEDMO C=CC[N@H+](C)C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169304936 807626058 /nfs/dbraw/zinc/62/60/58/807626058.db2.gz SQCJQLXIMSQDGK-UHFFFAOYSA-N 1 1 273.376 3.272 20 30 CGEDMO CC[C@@H](Cc1ccccc1)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001258846331 807655920 /nfs/dbraw/zinc/65/59/20/807655920.db2.gz OZVSGIVECMMDIB-HOTGVXAUSA-N 1 1 287.428 3.282 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC001169970249 807731676 /nfs/dbraw/zinc/73/16/76/807731676.db2.gz HGDNDVYHSPVQOS-CHWSQXEVSA-N 1 1 264.344 3.029 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001261360655 807738421 /nfs/dbraw/zinc/73/84/21/807738421.db2.gz SICJNANYCKEKCE-UONOGXRCSA-N 1 1 282.391 3.435 20 30 CGEDMO CCCNc1nc(NCc2ccc(C#N)c(F)c2)[nH+]cc1C ZINC001170087890 807752536 /nfs/dbraw/zinc/75/25/36/807752536.db2.gz NVPXLTVYGXARMM-UHFFFAOYSA-N 1 1 299.353 3.230 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H]1CC[C@H](C)C1)CC2 ZINC001170138342 807772527 /nfs/dbraw/zinc/77/25/27/807772527.db2.gz QMAXZTHLNOFDMD-JZXOWHBKSA-N 1 1 290.451 3.208 20 30 CGEDMO N#Cc1c(F)cccc1C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001262006660 807804707 /nfs/dbraw/zinc/80/47/07/807804707.db2.gz CLXGNEGSLNADRL-UHFFFAOYSA-N 1 1 280.346 3.476 20 30 CGEDMO CC(C)(S)CNc1[nH+]ccc2cc(F)ccc21 ZINC001170302264 807822597 /nfs/dbraw/zinc/82/25/97/807822597.db2.gz CEDKALRMQYNEKG-UHFFFAOYSA-N 1 1 250.342 3.494 20 30 CGEDMO CO[C@@H]1CC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170379462 807831961 /nfs/dbraw/zinc/83/19/61/807831961.db2.gz ZIMARROAIKJGSH-LXPRWKDFSA-N 1 1 284.403 3.111 20 30 CGEDMO C[N@@H+]([C@@H]1CCOC1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170388708 807833629 /nfs/dbraw/zinc/83/36/29/807833629.db2.gz AJOGOENIAZCPID-LXPRWKDFSA-N 1 1 284.403 3.111 20 30 CGEDMO CC[N@@H+](C1CN(C)C1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170397460 807834408 /nfs/dbraw/zinc/83/44/08/807834408.db2.gz CQKDNCYVJMICKB-UHFFFAOYSA-N 1 1 297.446 3.026 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170706664 807879504 /nfs/dbraw/zinc/87/95/04/807879504.db2.gz JLWGZMLQSBNMQV-SWLSCSKDSA-N 1 1 275.342 3.167 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+]([C@@H]2CCc3cccc(F)c3C2)C1 ZINC001171002246 807956420 /nfs/dbraw/zinc/95/64/20/807956420.db2.gz TXXUTPSPTKTAGC-DZGCQCFKSA-N 1 1 272.367 3.309 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@H]2CCc3cccc(F)c3C2)C1 ZINC001171002219 807956595 /nfs/dbraw/zinc/95/65/95/807956595.db2.gz SUFIRTHIUBIFIB-HIFRSBDPSA-N 1 1 257.352 3.028 20 30 CGEDMO C=C(CC(C)C)C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC001263713155 807996245 /nfs/dbraw/zinc/99/62/45/807996245.db2.gz ZIIKWHWBMMHQOK-UHFFFAOYSA-N 1 1 280.456 3.168 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)CC3CC3)[C@@H]2C1 ZINC001263749399 808001204 /nfs/dbraw/zinc/00/12/04/808001204.db2.gz ODCRQXADJOMRNV-IAGOWNOFSA-N 1 1 292.467 3.290 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC1(C)CCCCC1 ZINC001263802036 808005951 /nfs/dbraw/zinc/00/59/51/808005951.db2.gz IJHAWUPPQXERLR-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CC12CCCC2 ZINC001263817379 808008651 /nfs/dbraw/zinc/00/86/51/808008651.db2.gz UQEGOURIIMLFJJ-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)CCCC)[C@H]1CC ZINC001264050376 808031308 /nfs/dbraw/zinc/03/13/08/808031308.db2.gz LLXDIIGBXXXESR-HRCADAONSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCOc1ccccc1[C@@H](C)[NH2+]c1cccc(=O)n1C ZINC001171374170 808037478 /nfs/dbraw/zinc/03/74/78/808037478.db2.gz OEQOTNNTMCULML-CYBMUJFWSA-N 1 1 284.359 3.123 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)C2CCCCC2)[C@H]1C ZINC001264164666 808042651 /nfs/dbraw/zinc/04/26/51/808042651.db2.gz LPXGCPIKRQQPJI-INMHGKMJSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC=CCC1 ZINC001264179518 808044559 /nfs/dbraw/zinc/04/45/59/808044559.db2.gz YJRODQOBIHETNY-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@H+](CC[C@H](C)F)CC(C)(C)C1 ZINC001264193062 808046299 /nfs/dbraw/zinc/04/62/99/808046299.db2.gz KHMSGLAPEWXSKN-GJZGRUSLSA-N 1 1 298.446 3.308 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC001171491029 808075003 /nfs/dbraw/zinc/07/50/03/808075003.db2.gz RQSONYVWTGKZEQ-CABCVRRESA-N 1 1 263.425 3.315 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001171522926 808086584 /nfs/dbraw/zinc/08/65/84/808086584.db2.gz MSRVMDZTFCERJK-UONOGXRCSA-N 1 1 267.413 3.252 20 30 CGEDMO CCCCCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](C)C#N ZINC001264739326 808090667 /nfs/dbraw/zinc/09/06/67/808090667.db2.gz VVBOWWVMHPPNHN-CVEARBPZSA-N 1 1 293.455 3.039 20 30 CGEDMO Cc1cccc2c1CC[C@@H]([N@H+]1CC[C@](C)(C#N)C1)C2 ZINC001171577889 808104113 /nfs/dbraw/zinc/10/41/13/808104113.db2.gz IIRYSFARBFGJQL-NVXWUHKLSA-N 1 1 254.377 3.088 20 30 CGEDMO C=CCC[N@@H+](CC)CCCNC(=O)c1cc(C)c(C)s1 ZINC001265144894 808113425 /nfs/dbraw/zinc/11/34/25/808113425.db2.gz PPMAFBHTEOFLFI-UHFFFAOYSA-N 1 1 294.464 3.383 20 30 CGEDMO C=C1CC(C)(C(=O)NCCC[N@H+](C[C@@H](C)CC)C2CC2)C1 ZINC001265175071 808115949 /nfs/dbraw/zinc/11/59/49/808115949.db2.gz SRZJFYUIZQVOPL-AWEZNQCLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001265210001 808119342 /nfs/dbraw/zinc/11/93/42/808119342.db2.gz GWUDDJPLTFSOHD-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H](NC(=O)CCC2CCC2)C1 ZINC001265210537 808120831 /nfs/dbraw/zinc/12/08/31/808120831.db2.gz KVUCKCSNIVOYMF-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1CCC[N@H+](CCCCC)C1 ZINC001265224750 808122928 /nfs/dbraw/zinc/12/29/28/808122928.db2.gz JNKSHZRLDGAIET-NVXWUHKLSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)c2occc2C)C1 ZINC001265271232 808125188 /nfs/dbraw/zinc/12/51/88/808125188.db2.gz UVLIVLUFKHADAN-HNNXBMFYSA-N 1 1 290.407 3.139 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@H+](CC/C=C/CC)C1 ZINC001265306087 808129310 /nfs/dbraw/zinc/12/93/10/808129310.db2.gz JIUWVHYIOWJEIM-KIUWMYQTSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[C@@H]([NH2+][C@@H]1CCCC12CCCCC2)C(=O)OC ZINC001171932230 808155405 /nfs/dbraw/zinc/15/54/05/808155405.db2.gz WFQFSHVAPJNNBY-ZIAGYGMSSA-N 1 1 265.397 3.197 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)CCC ZINC001265640720 808162728 /nfs/dbraw/zinc/16/27/28/808162728.db2.gz JITSUBHCIXPZMX-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO C[C@@H](CC#N)N[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976831 808163479 /nfs/dbraw/zinc/16/34/79/808163479.db2.gz ULGWQPGFBIYBAL-RDJZCZTQSA-N 1 1 285.435 3.321 20 30 CGEDMO CC1(C)C[C@@H](N2CCC[C@H]2C#N)CC[N@H+]1Cc1ccccc1 ZINC001171976083 808163680 /nfs/dbraw/zinc/16/36/80/808163680.db2.gz HYJNFUXWLOFQDA-ROUUACIJSA-N 1 1 297.446 3.418 20 30 CGEDMO C=CCCCC(=O)NC[C@H]1CCCC[N@@H+]1C[C@H](F)CC ZINC001265652177 808164077 /nfs/dbraw/zinc/16/40/77/808164077.db2.gz SFQXPMCYMZXNQX-HUUCEWRRSA-N 1 1 284.419 3.062 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC1CC(C)C1 ZINC001265647366 808164477 /nfs/dbraw/zinc/16/44/77/808164477.db2.gz NYCSWCSLCZRGBO-JCYILVPMSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@H](CC)CCCC ZINC001265650086 808164497 /nfs/dbraw/zinc/16/44/97/808164497.db2.gz ZNBBNZPFARCJBR-SJORKVTESA-N 1 1 292.467 3.197 20 30 CGEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](CC)CC(C)C ZINC001265655511 808165861 /nfs/dbraw/zinc/16/58/61/808165861.db2.gz JOSZVSYDFAFMDH-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](CC)CC(C)C ZINC001265656056 808166070 /nfs/dbraw/zinc/16/60/70/808166070.db2.gz VLGDRNQLKWLYSR-CVEARBPZSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H](C)[C@H]1CCC[N@H+](C(C)C)C1 ZINC001265702315 808170281 /nfs/dbraw/zinc/17/02/81/808170281.db2.gz BZKKKOPKPFGRSD-CABCVRRESA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCCC(=O)N[C@@H](C)[C@H]1CCC[N@H+](CCC(C)C)C1 ZINC001265699926 808170684 /nfs/dbraw/zinc/17/06/84/808170684.db2.gz KGYKIPUFVJASIG-HOTGVXAUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC1(CC(=O)NCCC[N@H+](C)C(C)C)CCCCC1 ZINC001265937115 808194680 /nfs/dbraw/zinc/19/46/80/808194680.db2.gz SXVPCDCSACVSRL-UHFFFAOYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@H+](C)CCCNC(=O)C[C@H]1CCCC[C@@H]1C ZINC001265984222 808198898 /nfs/dbraw/zinc/19/88/98/808198898.db2.gz OOAHXAODFNPPPT-JKSUJKDBSA-N 1 1 280.456 3.217 20 30 CGEDMO C#CC[N@@H+]([C@@H]1CCc2ccccc21)C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172241834 808208195 /nfs/dbraw/zinc/20/81/95/808208195.db2.gz LAGCOKWVLHWDPI-RGPMPMONSA-N 1 1 279.383 3.095 20 30 CGEDMO C=CC[N@@H+](C1CCCCC1)C1CCN(CCCOC)CC1 ZINC001172254011 808209758 /nfs/dbraw/zinc/20/97/58/808209758.db2.gz GTFGRXUILCKVAJ-UHFFFAOYSA-N 1 1 294.483 3.308 20 30 CGEDMO C=CCC[N@@H+](CC)CCCNC(=O)c1cc(C)ccc1C ZINC001266102871 808210819 /nfs/dbraw/zinc/21/08/19/808210819.db2.gz KWXRFLKTFPJESQ-UHFFFAOYSA-N 1 1 288.435 3.321 20 30 CGEDMO C#CCCCCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)CCC=C)C1 ZINC001266215824 808228682 /nfs/dbraw/zinc/22/86/82/808228682.db2.gz NPKGRTPQJDLAGX-IRXDYDNUSA-N 1 1 290.451 3.115 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CCCNC(=O)C1CC(C)(C)C1 ZINC001266210507 808228904 /nfs/dbraw/zinc/22/89/04/808228904.db2.gz BMRBVNYUCMMAFR-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)C(C)=C2CCC2)C1 ZINC001266316328 808241235 /nfs/dbraw/zinc/24/12/35/808241235.db2.gz AVBWNIRYAYFOEP-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO CCCCCCC[C@@H](CC)n1cnc(C[NH3+])cc1=N ZINC001172345913 808244797 /nfs/dbraw/zinc/24/47/97/808244797.db2.gz FFBWLFLLLSHVDL-CQSZACIVSA-N 1 1 264.417 3.133 20 30 CGEDMO C#CC[N@H+]1CC[C@H](NC(=O)[C@](C)(CC)CCCCCC)C1 ZINC001266359510 808248436 /nfs/dbraw/zinc/24/84/36/808248436.db2.gz XNHKZUDNWLIIJM-FUHWJXTLSA-N 1 1 292.467 3.197 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@](C)(CC)CCCCCC)C1 ZINC001266359510 808248444 /nfs/dbraw/zinc/24/84/44/808248444.db2.gz XNHKZUDNWLIIJM-FUHWJXTLSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[N@H+](CCCC)C2)CCCC1 ZINC001266363520 808249436 /nfs/dbraw/zinc/24/94/36/808249436.db2.gz JTFSWCQZVRDDFG-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC001172355258 808251092 /nfs/dbraw/zinc/25/10/92/808251092.db2.gz NJOVJFLGSQVUMD-IHRRRGAJSA-N 1 1 272.408 3.023 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CCCO[C@H](C(=O)OC)C1 ZINC001172360030 808253702 /nfs/dbraw/zinc/25/37/02/808253702.db2.gz HWWSGDAETHFNAF-CVEARBPZSA-N 1 1 299.455 3.389 20 30 CGEDMO C#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](CC)CCCC)C1 ZINC001266448018 808266780 /nfs/dbraw/zinc/26/67/80/808266780.db2.gz FLEDIJRJSVYMDW-IAGOWNOFSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)C2CCCCCC2)C1 ZINC001266452355 808267392 /nfs/dbraw/zinc/26/73/92/808267392.db2.gz NDVKRQYPPJLILS-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)C2(CCC)CCC2)C1 ZINC001266466959 808270801 /nfs/dbraw/zinc/27/08/01/808270801.db2.gz ZVRGMRCULOYZFA-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H](C)C(CC)CC)C1 ZINC001266520505 808280395 /nfs/dbraw/zinc/28/03/95/808280395.db2.gz OIMFJRSCANYHDU-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001266525683 808281757 /nfs/dbraw/zinc/28/17/57/808281757.db2.gz LMLIVKFIUODSKN-AWEZNQCLSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)CC[N@H+](CCNC(=O)C1(CC)CCC1)C1CC1 ZINC001266607496 808295150 /nfs/dbraw/zinc/29/51/50/808295150.db2.gz ZYBBJYDMMJOWMW-UHFFFAOYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCCC(=O)NC[C@H]1CCC[N@H+](C[C@@H](C)CC)C1 ZINC001266757560 808311709 /nfs/dbraw/zinc/31/17/09/808311709.db2.gz CHRMBIUKQZXUAZ-JKSUJKDBSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)c1ccsc1 ZINC001266855939 808325212 /nfs/dbraw/zinc/32/52/12/808325212.db2.gz IAVFTPPRAOZTHL-UKRRQHHQSA-N 1 1 292.448 3.008 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C1(CF)CCC1 ZINC001266855706 808325487 /nfs/dbraw/zinc/32/54/87/808325487.db2.gz FUNUHFMCSQBTSZ-OAHLLOKOSA-N 1 1 296.430 3.063 20 30 CGEDMO C[C@@H](CCCC#N)[NH2+]CC(F)(F)C(F)(F)C(F)(F)F ZINC001172480076 808343534 /nfs/dbraw/zinc/34/35/34/808343534.db2.gz MIGKINFGJOSKOL-ZETCQYMHSA-N 1 1 294.214 3.491 20 30 CGEDMO CCC1CCC([NH2+][C@@H](C)CCCC#N)(C(=O)OC)CC1 ZINC001172487209 808347589 /nfs/dbraw/zinc/34/75/89/808347589.db2.gz GDHIORPLZHCDCQ-HLIUYOAVSA-N 1 1 280.412 3.170 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC001172498099 808354764 /nfs/dbraw/zinc/35/47/64/808354764.db2.gz ITENICSNKFCBNA-GOEBONIOSA-N 1 1 258.365 3.142 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)CCCC)C1 ZINC001267100825 808358644 /nfs/dbraw/zinc/35/86/44/808358644.db2.gz NBCVEWJISASQKI-HNNXBMFYSA-N 1 1 266.429 3.066 20 30 CGEDMO CCCCCCCC[C@@H](CC)[N@H+]1CCOC[C@H](O)C1 ZINC001172505209 808360440 /nfs/dbraw/zinc/36/04/40/808360440.db2.gz JVNSBMIYBJGUJW-HZPDHXFCSA-N 1 1 271.445 3.209 20 30 CGEDMO CCCCCCCC[C@H](CC)[N@H+]1CCO[C@@H](CO)C1 ZINC001172506011 808363111 /nfs/dbraw/zinc/36/31/11/808363111.db2.gz ZBQMNFFTCUUJGU-JKSUJKDBSA-N 1 1 271.445 3.209 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCN(C)[C@H](c2ccccc2)C1 ZINC001172507126 808364486 /nfs/dbraw/zinc/36/44/86/808364486.db2.gz PMGXLPBDOFSLJW-RDJZCZTQSA-N 1 1 271.408 3.057 20 30 CGEDMO C[C@H](CCCC#N)[N@@H+](C)CCN(C)Cc1ccccc1 ZINC001172509422 808365541 /nfs/dbraw/zinc/36/55/41/808365541.db2.gz LLCPCWNZOXESAK-MRXNPFEDSA-N 1 1 273.424 3.133 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCOC[C@@H]1C1CCCCC1 ZINC001172509783 808365908 /nfs/dbraw/zinc/36/59/08/808365908.db2.gz QPJOJWAYIGTJBR-GDBMZVCRSA-N 1 1 264.413 3.350 20 30 CGEDMO Cc1cccnc1O[C@@H]1CCC[N@H+]([C@H](C)CCCC#N)C1 ZINC001172509707 808365926 /nfs/dbraw/zinc/36/59/26/808365926.db2.gz OKOXVHBKEPKPJM-HZPDHXFCSA-N 1 1 287.407 3.316 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)CCCC ZINC001267160243 808371258 /nfs/dbraw/zinc/37/12/58/808371258.db2.gz DLQUTIBAKMYLRZ-HNNXBMFYSA-N 1 1 266.429 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)C[C@H](C)C1CC1 ZINC001267181760 808375376 /nfs/dbraw/zinc/37/53/76/808375376.db2.gz NGCLZWIIOGJYPA-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCC[N@H+](CCCNC(=O)CC1=CCCCC1)C(C)C ZINC001267239843 808392464 /nfs/dbraw/zinc/39/24/64/808392464.db2.gz RIPBSRBINDOXIT-UHFFFAOYSA-N 1 1 290.451 3.117 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+]1CC/C=C\CC ZINC001267271831 808401262 /nfs/dbraw/zinc/40/12/62/808401262.db2.gz DBUIPOZNQLHRAU-ZPIQOJFGSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CC[N@@H+](CCC)CCNC(=O)c1cccs1 ZINC001267309987 808410477 /nfs/dbraw/zinc/41/04/77/808410477.db2.gz XVSPIMFBTTZJKH-UHFFFAOYSA-N 1 1 280.437 3.156 20 30 CGEDMO C=C1CC(C)(C(=O)NCC[N@H+](CCC(C)(C)C)C2CC2)C1 ZINC001267332983 808416908 /nfs/dbraw/zinc/41/69/08/808416908.db2.gz VBDSMBGHXLEATR-UHFFFAOYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)c2cc(C)cs2)C1 ZINC001267541364 808442178 /nfs/dbraw/zinc/44/21/78/808442178.db2.gz ZNTHBQPNUXOKGM-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H](C)C2CCC2)C1 ZINC001267544860 808444302 /nfs/dbraw/zinc/44/43/02/808444302.db2.gz UXOQPAZTVDDJNH-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)CCCCC(C)C)C1 ZINC001267547303 808444799 /nfs/dbraw/zinc/44/47/99/808444799.db2.gz LPRXGCUNZTZXDT-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)/C=C(\C)C2CC2)C1 ZINC001267550887 808445696 /nfs/dbraw/zinc/44/56/96/808445696.db2.gz FZWHXGXVVPKJSB-STTHAQSSSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC[N@H+]1CC[C@H](CCNC(=O)c2cc3ccccc3o2)C1 ZINC001267568644 808450082 /nfs/dbraw/zinc/45/00/82/808450082.db2.gz YXHKPOYCXNNQPU-AWEZNQCLSA-N 1 1 298.386 3.061 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)C2CC=CC2)C1 ZINC001267580213 808451626 /nfs/dbraw/zinc/45/16/26/808451626.db2.gz SGXKAPCZUNVUIJ-HZPDHXFCSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[C@@H](C[N@@H+](C)CC2CCC2)C1 ZINC001267589622 808453049 /nfs/dbraw/zinc/45/30/49/808453049.db2.gz OYDCZBCODKJUAW-WBVHZDCISA-N 1 1 292.467 3.169 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC[C@H](C[N@@H+](C)CC2CCC2)C1 ZINC001267589615 808453872 /nfs/dbraw/zinc/45/38/72/808453872.db2.gz OYDCZBCODKJUAW-DOTOQJQBSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)CCCCC)C1 ZINC001267626591 808460422 /nfs/dbraw/zinc/46/04/22/808460422.db2.gz WPJWUXMZHJMKOE-CQSZACIVSA-N 1 1 286.847 3.100 20 30 CGEDMO C=C[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC(=C)C)C1)c1ccccc1 ZINC001267622117 808461196 /nfs/dbraw/zinc/46/11/96/808461196.db2.gz MUKUJVDUUCHBKN-QZTJIDSGSA-N 1 1 298.430 3.113 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001267717676 808476342 /nfs/dbraw/zinc/47/63/42/808476342.db2.gz FMKZDFMYIQCVKL-RYUDHWBXSA-N 1 1 296.798 3.092 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)CC(C)(C)C)C1 ZINC001267718675 808476704 /nfs/dbraw/zinc/47/67/04/808476704.db2.gz CTEZIYWEDULAFP-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001267742982 808480985 /nfs/dbraw/zinc/48/09/85/808480985.db2.gz HFRHRJALMAMMCM-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2C)C1 ZINC001267738220 808481223 /nfs/dbraw/zinc/48/12/23/808481223.db2.gz SYFGKSLXPXVPOP-JKSUJKDBSA-N 1 1 286.419 3.213 20 30 CGEDMO C=CC(C)(C)C(=O)N(C)[C@H]1CC[N@H+](CC/C=C\CCC)C1 ZINC001267768006 808486816 /nfs/dbraw/zinc/48/68/16/808486816.db2.gz LMAJOLQWNAMQMV-YDZSZYSISA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001267771705 808488724 /nfs/dbraw/zinc/48/87/24/808488724.db2.gz LVIOTSXETHXBGQ-SOLBZPMBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C)CC(C)C)C1 ZINC001267778229 808490818 /nfs/dbraw/zinc/49/08/18/808490818.db2.gz YAYGXVNYWJUBAA-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)C[C@H](C=C)CC)C1 ZINC001267792422 808494169 /nfs/dbraw/zinc/49/41/69/808494169.db2.gz ZOMHWEKNSJRTML-CVEARBPZSA-N 1 1 278.440 3.088 20 30 CGEDMO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+](C)CCC#N ZINC001173090292 808504727 /nfs/dbraw/zinc/50/47/27/808504727.db2.gz KASSGJXFBHBTKP-NSHDSACASA-N 1 1 286.297 3.362 20 30 CGEDMO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+](C)CCC#N ZINC001173090292 808504730 /nfs/dbraw/zinc/50/47/30/808504730.db2.gz KASSGJXFBHBTKP-NSHDSACASA-N 1 1 286.297 3.362 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)/C(C)=C\CC)C1 ZINC001268159184 808551733 /nfs/dbraw/zinc/55/17/33/808551733.db2.gz JQRYPAUKZHRGEF-BRAFPAACSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCCCC(=O)N1CCC(CC[N@H+](C)C(C)C)CC1 ZINC001268199075 808555070 /nfs/dbraw/zinc/55/50/70/808555070.db2.gz AJYCNWYWBDIVDU-UHFFFAOYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[C@@H]([NH2+][C@H](CCCC)CC(C)C)C(=O)OC ZINC001173251323 808557867 /nfs/dbraw/zinc/55/78/67/808557867.db2.gz AROIPZSMXLJIMA-ZIAGYGMSSA-N 1 1 255.402 3.299 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)/C=C(\C)C1CC1 ZINC001268232655 808563782 /nfs/dbraw/zinc/56/37/82/808563782.db2.gz KZQQOIFXQZLLJQ-SZGUKTLCSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)/C=C(\C)C1CC1 ZINC001268232652 808564068 /nfs/dbraw/zinc/56/40/68/808564068.db2.gz KZQQOIFXQZLLJQ-BUYIWHAFSA-N 1 1 278.440 3.088 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)[C@@H]2CCC[C@H](F)C2)C1 ZINC001268300430 808577530 /nfs/dbraw/zinc/57/75/30/808577530.db2.gz OKXYXAHKTVSFMN-CABCVRRESA-N 1 1 298.446 3.286 20 30 CGEDMO CCCCCCCCC[C@@H](CCC)[NH2+]C[C@H](O)CN ZINC001173284702 808585931 /nfs/dbraw/zinc/58/59/31/808585931.db2.gz HVZDHVMZCFXSBB-HZPDHXFCSA-N 1 1 272.477 3.205 20 30 CGEDMO CCCCCCCC[C@@H](CCC)[N@@H+](CCN)CCO ZINC001173308545 808604963 /nfs/dbraw/zinc/60/49/63/808604963.db2.gz AVCNTMSIXZBLGL-MRXNPFEDSA-N 1 1 272.477 3.159 20 30 CGEDMO C=CCOC1CCC([N@@H+]2CC[C@@H](C)C(F)(F)C2)CC1 ZINC001173321606 808611294 /nfs/dbraw/zinc/61/12/94/808611294.db2.gz MVKRKRYVFJCZLO-IYXRBSQSSA-N 1 1 273.367 3.477 20 30 CGEDMO C=CCOC1CCC([N@H+]2CC[C@@H](C)C(F)(F)C2)CC1 ZINC001173321606 808611296 /nfs/dbraw/zinc/61/12/96/808611296.db2.gz MVKRKRYVFJCZLO-IYXRBSQSSA-N 1 1 273.367 3.477 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)c1ccc2c(c1)CCC=C2 ZINC001268753983 808624086 /nfs/dbraw/zinc/62/40/86/808624086.db2.gz YNOOPEDENABDBS-HNNXBMFYSA-N 1 1 298.430 3.272 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001269039543 808644341 /nfs/dbraw/zinc/64/43/41/808644341.db2.gz ZHANDJIJHFMYSH-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@H+](CC2CCC(C)CC2)C1 ZINC001269060975 808644563 /nfs/dbraw/zinc/64/45/63/808644563.db2.gz DJXYKKRPGHIXJE-JCYILVPMSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)CC/C=C\c2ccccc2)C1 ZINC001269065087 808645487 /nfs/dbraw/zinc/64/54/87/808645487.db2.gz HDYAVDBVYFBAOY-VTSXBNNFSA-N 1 1 298.430 3.247 20 30 CGEDMO CC1(C#N)CCC([N@@H+](CCC[NH3+])C2CCCCC2)CC1 ZINC001173584908 808646412 /nfs/dbraw/zinc/64/64/12/808646412.db2.gz QQVKTKPEXFQADT-UHFFFAOYSA-N 1 1 277.456 3.442 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CCC(=O)[C@H]3CCCC[C@H]32)CC1 ZINC001173592654 808648368 /nfs/dbraw/zinc/64/83/68/808648368.db2.gz XLGMMBZHZBAGJC-KRIMKBQASA-N 1 1 274.408 3.292 20 30 CGEDMO CC(C)c1nc(CC[N@@H+](C)C2CCC(C)(C#N)CC2)no1 ZINC001173593126 808649582 /nfs/dbraw/zinc/64/95/82/808649582.db2.gz DNPYTHDTMDTDFB-UHFFFAOYSA-N 1 1 290.411 3.140 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](N(C)C(=O)C(C)(F)F)C1 ZINC001269209022 808655717 /nfs/dbraw/zinc/65/57/17/808655717.db2.gz SHFMSAOIRWNRFX-CYBMUJFWSA-N 1 1 290.398 3.145 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)C=C2CCCCC2)C1 ZINC001269217481 808657622 /nfs/dbraw/zinc/65/76/22/808657622.db2.gz PCMGENWAJIWGAD-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)/C=C\C(C)(C)C)C1 ZINC001269222375 808657761 /nfs/dbraw/zinc/65/77/61/808657761.db2.gz WYMYGSNKSDQKBN-WQHRRFGKSA-N 1 1 292.467 3.476 20 30 CGEDMO C=CC[N@H+]([C@@H]1CC[C@@H](CC(=O)OCC)C1)C(C)(C)C ZINC001173662050 808662845 /nfs/dbraw/zinc/66/28/45/808662845.db2.gz UYZIDHFUHPKOJD-ZIAGYGMSSA-N 1 1 267.413 3.395 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](N(CC)C(=O)CCC)C1 ZINC001269301906 808664970 /nfs/dbraw/zinc/66/49/70/808664970.db2.gz NZEZDEXRZRLOPI-GJZGRUSLSA-N 1 1 266.429 3.064 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)C2CC(C)(C)C2)C1 ZINC001269324903 808669259 /nfs/dbraw/zinc/66/92/59/808669259.db2.gz RHBYHTLSODFWGO-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(C)c1C ZINC001269337150 808671310 /nfs/dbraw/zinc/67/13/10/808671310.db2.gz HFCUQVBQHKARMC-INIZCTEOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CCC[NH+]1CC(N(C)C(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001269875307 808707823 /nfs/dbraw/zinc/70/78/23/808707823.db2.gz JGTASYORCPPRAC-CQSZACIVSA-N 1 1 280.456 3.168 20 30 CGEDMO CCCCCCCC[C@H]1C[C@H]1C(=O)N1CC2(CC[N@@H+]2C)C1 ZINC001271410933 808769682 /nfs/dbraw/zinc/76/96/82/808769682.db2.gz JVIVZMHIHMTOPR-JKSUJKDBSA-N 1 1 292.467 3.290 20 30 CGEDMO CCCCCCCC[C@H]1C[C@H]1C(=O)N1CC2(CC[N@H+]2C)C1 ZINC001271410933 808769687 /nfs/dbraw/zinc/76/96/87/808769687.db2.gz JVIVZMHIHMTOPR-JKSUJKDBSA-N 1 1 292.467 3.290 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCC=C)C2 ZINC001271423401 808770328 /nfs/dbraw/zinc/77/03/28/808770328.db2.gz ZHGKFGGFCTUPRZ-BBWFWOEESA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)/C(C)=C/CC)[C@@H]2C1 ZINC001272062474 808796594 /nfs/dbraw/zinc/79/65/94/808796594.db2.gz LLWBHNWBUOQGHY-ACCWSSFSSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)/C(C)=C/CC)[C@@H]2C1 ZINC001272062474 808796598 /nfs/dbraw/zinc/79/65/98/808796598.db2.gz LLWBHNWBUOQGHY-ACCWSSFSSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(C)CN1CC[C@]2(CC[N@@H+](CCC3CCCC3)C2)C1=O ZINC001273165211 808836372 /nfs/dbraw/zinc/83/63/72/808836372.db2.gz AWWIHGOLMJWRET-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO Cc1oc(Nc2cc[nH+]c3ccccc23)c(C#N)c1C ZINC001174039113 808837321 /nfs/dbraw/zinc/83/73/21/808837321.db2.gz MSHRAGIZPGTBHL-UHFFFAOYSA-N 1 1 263.300 3.482 20 30 CGEDMO C#CCOc1ccc(Nc2cc[nH+]c3ccccc23)cc1 ZINC001174040175 808839547 /nfs/dbraw/zinc/83/95/47/808839547.db2.gz WMMIRRXBNVYECO-UHFFFAOYSA-N 1 1 274.323 3.412 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)CCCCC)CC1 ZINC001273394130 808842036 /nfs/dbraw/zinc/84/20/36/808842036.db2.gz XOEZCZSQLYDSKD-HNNXBMFYSA-N 1 1 266.429 3.114 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)CCC=C)CC1 ZINC001273408292 808843630 /nfs/dbraw/zinc/84/36/30/808843630.db2.gz BIYDOUHQJJGKHD-DLBZAZTESA-N 1 1 290.451 3.115 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CCC[N@H+](CC(=C)C)CC1 ZINC001273417352 808843673 /nfs/dbraw/zinc/84/36/73/808843673.db2.gz GJTDIHGYQRVTKH-KRWDZBQOSA-N 1 1 290.451 3.302 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)[C@H](C)c1ccsc1 ZINC001273559730 808853885 /nfs/dbraw/zinc/85/38/85/808853885.db2.gz CZACODYZHKPGBU-CQSZACIVSA-N 1 1 294.464 3.208 20 30 CGEDMO C=CC[N@H+](C)CCCN(C)C(=O)[C@@H](C)[C@@H](C)C(C)(C)C ZINC001273571935 808855579 /nfs/dbraw/zinc/85/55/79/808855579.db2.gz SHCDPFCYFCJAOX-LSDHHAIUSA-N 1 1 282.472 3.271 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)c1cccc(Cl)c1 ZINC001273584588 808856398 /nfs/dbraw/zinc/85/63/98/808856398.db2.gz VCJUVVBVXJURGW-UHFFFAOYSA-N 1 1 294.826 3.310 20 30 CGEDMO C=CCCC(=O)N1CCC[C@]2(CC[N@@H+](CCC3CC3)C2)C1 ZINC001273834523 808862300 /nfs/dbraw/zinc/86/23/00/808862300.db2.gz XBGOLEKOUPRJFP-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)CC(C)(C)C)cc2C1 ZINC001274020404 808866213 /nfs/dbraw/zinc/86/62/13/808866213.db2.gz ARHYQXXBJGTZMA-UHFFFAOYSA-N 1 1 286.419 3.241 20 30 CGEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)CC(C)(C)C)cc2C1 ZINC001274020404 808866219 /nfs/dbraw/zinc/86/62/19/808866219.db2.gz ARHYQXXBJGTZMA-UHFFFAOYSA-N 1 1 286.419 3.241 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@](C)(C=C)CC)C(C)(C)C1 ZINC001274446624 808876347 /nfs/dbraw/zinc/87/63/47/808876347.db2.gz RNNUCBVOQRNAPH-YJBOKZPZSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCCCC(=O)NC[C@H]1c2ccccc2CC[N@H+]1CC=C ZINC001274847894 808890670 /nfs/dbraw/zinc/89/06/70/808890670.db2.gz RPZRUVWAFWNYNX-SFHVURJKSA-N 1 1 298.430 3.244 20 30 CGEDMO C=CCCCC(=O)NC[C@H]1c2ccccc2CC[N@@H+]1CC=C ZINC001274847894 808890677 /nfs/dbraw/zinc/89/06/77/808890677.db2.gz RPZRUVWAFWNYNX-SFHVURJKSA-N 1 1 298.430 3.244 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@H]2C[N@H+](C)C[C@H](C)CC)C1 ZINC001275143418 808916170 /nfs/dbraw/zinc/91/61/70/808916170.db2.gz LNZUPWAPSBLDLO-ZBFHGGJFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@H](C)C1CC1 ZINC001275176436 808920122 /nfs/dbraw/zinc/92/01/22/808920122.db2.gz OJFMEMLXKOFPCD-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CCC[N@H+](C)C[C@@H](C)NC(=O)CCCCC(C)(C)C ZINC001275565102 808949007 /nfs/dbraw/zinc/94/90/07/808949007.db2.gz BCFSUDZBEWCPDE-OAHLLOKOSA-N 1 1 280.456 3.053 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)c1occc1C(C)C ZINC001275630900 808952678 /nfs/dbraw/zinc/95/26/78/808952678.db2.gz XMKDQDWVZFDDRQ-CQSZACIVSA-N 1 1 292.423 3.419 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC1(C)C ZINC001275622348 808953566 /nfs/dbraw/zinc/95/35/66/808953566.db2.gz OQHSTFDNDIBHJR-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H](C)[N@@H+](C)CCCC1CCC1 ZINC001275897245 808973741 /nfs/dbraw/zinc/97/37/41/808973741.db2.gz JMXJOZUWGUDUJB-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)CNC(=O)[C@H](C)CC1CCCCC1 ZINC001275945988 808979469 /nfs/dbraw/zinc/97/94/69/808979469.db2.gz QCXWZZKCKUEYOV-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)c1cc(C)cc(C)c1 ZINC001275985898 808982113 /nfs/dbraw/zinc/98/21/13/808982113.db2.gz GSXLZQOBHLYGBL-INIZCTEOSA-N 1 1 288.435 3.320 20 30 CGEDMO N#Cc1ccncc1NC1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001174393109 808992299 /nfs/dbraw/zinc/99/22/99/808992299.db2.gz RDBHURFHNYBAGG-UHFFFAOYSA-N 1 1 290.370 3.155 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H]1CCCCC[N@H+]1C/C=C/Cl ZINC001276312868 809000513 /nfs/dbraw/zinc/00/05/13/809000513.db2.gz VPNLKSKDRCADFL-QSYFUGGGSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)CC(C)(C)C=C ZINC001276862887 809039224 /nfs/dbraw/zinc/03/92/24/809039224.db2.gz YVQULWNOXCLHQG-CABCVRRESA-N 1 1 278.440 3.134 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)co1 ZINC001276909859 809044241 /nfs/dbraw/zinc/04/42/41/809044241.db2.gz UAQAOTLLYHBVLV-OAHLLOKOSA-N 1 1 292.423 3.363 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@H]2C[C@]21C(=O)N1CC=CC1 ZINC001277230878 809064404 /nfs/dbraw/zinc/06/44/04/809064404.db2.gz FHYQPPGVMBOMRS-FUHWJXTLSA-N 1 1 290.451 3.210 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@@H]2C[C@@]21C(=O)N1CC=CC1 ZINC001277230876 809064432 /nfs/dbraw/zinc/06/44/32/809064432.db2.gz FHYQPPGVMBOMRS-AEFFLSMTSA-N 1 1 290.451 3.210 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C1CCN(C(=O)[C@@H](F)C(C)C)CC1 ZINC001277417884 809074292 /nfs/dbraw/zinc/07/42/92/809074292.db2.gz ZJMCHIYYZRFFRN-ZBFHGGJFSA-N 1 1 298.446 3.258 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)[C@H]2CC[C@@H](F)C2)CC1 ZINC001277423667 809074361 /nfs/dbraw/zinc/07/43/61/809074361.db2.gz SNSHEJABRIBNMG-LSDHHAIUSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCCCC(=O)N(C)C[C@@H](C)[NH2+]C/C(Cl)=C/Cl ZINC001277923176 809106026 /nfs/dbraw/zinc/10/60/26/809106026.db2.gz WQLGOEMSDOFTAA-HQQGHWSLSA-N 1 1 293.238 3.098 20 30 CGEDMO CCc1cc(CN2CCC[C@@]3(CC[N@@H+](C)C3)C2)ccc1C#N ZINC001278038281 809112846 /nfs/dbraw/zinc/11/28/46/809112846.db2.gz YFPSHSQPILRLQO-IBGZPJMESA-N 1 1 297.446 3.038 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@](C)(NC(=O)[C@H](F)CC)C1 ZINC001278413782 809131493 /nfs/dbraw/zinc/13/14/93/809131493.db2.gz KHHCZDOVDJQYQW-ZBFHGGJFSA-N 1 1 286.435 3.286 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@]2(NC(=O)C3CC3)CCC[C@H]12 ZINC001278431361 809132472 /nfs/dbraw/zinc/13/24/72/809132472.db2.gz MSVOJRIHKKCMCU-FUHWJXTLSA-N 1 1 290.451 3.256 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@]2(NC(=O)C3CC3)CCC[C@@H]12 ZINC001278431360 809132865 /nfs/dbraw/zinc/13/28/65/809132865.db2.gz MSVOJRIHKKCMCU-AEFFLSMTSA-N 1 1 290.451 3.256 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)CC3(C)CC3)CCC[C@@H]12 ZINC001278451414 809134978 /nfs/dbraw/zinc/13/49/78/809134978.db2.gz HYIYOWKOMHSFIP-CJNGLKHVSA-N 1 1 296.842 3.042 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)CC3(C)CC3)CCC[C@@H]12 ZINC001278451414 809134983 /nfs/dbraw/zinc/13/49/83/809134983.db2.gz HYIYOWKOMHSFIP-CJNGLKHVSA-N 1 1 296.842 3.042 20 30 CGEDMO C=CCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC001278501750 809137641 /nfs/dbraw/zinc/13/76/41/809137641.db2.gz YKRNUKNIAZNPGX-RDJZCZTQSA-N 1 1 286.419 3.122 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)C(CCC)CCC)[C@@H]1C ZINC001278520808 809138734 /nfs/dbraw/zinc/13/87/34/809138734.db2.gz ISWXWMDZHWEWGA-DOTOQJQBSA-N 1 1 292.467 3.195 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)/C=C(/C)CC)C1 ZINC001278659449 809149709 /nfs/dbraw/zinc/14/97/09/809149709.db2.gz UYURHFVGZLHCBS-MJSCBBHESA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC=C(C)C)C2 ZINC001278954239 809158273 /nfs/dbraw/zinc/15/82/73/809158273.db2.gz WSCOCFCBHHUDGB-BBWFWOEESA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)Nc1sc(N)c2c1C[N@@H+](CCC)CC2 ZINC001174790172 809163926 /nfs/dbraw/zinc/16/39/26/809163926.db2.gz LPVUFDHCCADPII-UHFFFAOYSA-N 1 1 251.399 3.044 20 30 CGEDMO C=C(C)Nc1c[nH+]c2ccc(Br)cn12 ZINC001174788534 809163938 /nfs/dbraw/zinc/16/39/38/809163938.db2.gz LGOALFFBFFYQRG-UHFFFAOYSA-N 1 1 252.115 3.042 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC1CCC1 ZINC001279552739 809174186 /nfs/dbraw/zinc/17/41/86/809174186.db2.gz DMICAEMYHZBIEE-DLBZAZTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CCC[N@@H+](CC=C(C)C)CC1 ZINC001280747557 809197477 /nfs/dbraw/zinc/19/74/77/809197477.db2.gz RZTLJWKDBINMMQ-INIZCTEOSA-N 1 1 278.440 3.280 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)CC(C)C)CC1 ZINC001280768694 809197742 /nfs/dbraw/zinc/19/77/42/809197742.db2.gz AZYKREPZIODEGR-INIZCTEOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)c1sc(C)cc1C ZINC001280820928 809200411 /nfs/dbraw/zinc/20/04/11/809200411.db2.gz BXPGXOGRBTWOMY-UHFFFAOYSA-N 1 1 294.464 3.335 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)c1c(C)oc(C)c1C ZINC001280832072 809201503 /nfs/dbraw/zinc/20/15/03/809201503.db2.gz ISYDPZMYAODZNG-UHFFFAOYSA-N 1 1 292.423 3.175 20 30 CGEDMO C=CC[N@H+](C)CCCN(C)C(=O)c1cc2cc(C)ccc2[nH]1 ZINC001280848800 809202056 /nfs/dbraw/zinc/20/20/56/809202056.db2.gz UNIZNYDZNXRWGC-UHFFFAOYSA-N 1 1 299.418 3.056 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(CC)CC2)C(C)(C)C1 ZINC001281553195 809215284 /nfs/dbraw/zinc/21/52/84/809215284.db2.gz OVKYXASJNIIQBP-ZDUSSCGKSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(CC)CC2)C(C)(C)C1 ZINC001281553195 809215289 /nfs/dbraw/zinc/21/52/89/809215289.db2.gz OVKYXASJNIIQBP-ZDUSSCGKSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)C)C2)C1 ZINC001281976023 809226201 /nfs/dbraw/zinc/22/62/01/809226201.db2.gz RVFUYDQZPTUICC-IAGOWNOFSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)CNC(=O)Cc1cccc2ccccc21 ZINC001282487004 809251709 /nfs/dbraw/zinc/25/17/09/809251709.db2.gz SWVIERMCGNNWCY-OAHLLOKOSA-N 1 1 296.414 3.005 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)CNC(=O)C/C=C\c1ccc(C)cc1 ZINC001282504366 809252295 /nfs/dbraw/zinc/25/22/95/809252295.db2.gz OIYHIYOAYBYMOW-WLMCBFPDSA-N 1 1 286.419 3.021 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)C1CCC(C)(C)CC1 ZINC001282497393 809252982 /nfs/dbraw/zinc/25/29/82/809252982.db2.gz NUDIWWYVCAHASZ-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H](C)[N@@H+](C)CC(=C)C)CCCC1 ZINC001282505371 809253207 /nfs/dbraw/zinc/25/32/07/809253207.db2.gz XYEMUCWMBRZVOF-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)Cc1ccc(C)s1 ZINC001282497930 809253283 /nfs/dbraw/zinc/25/32/83/809253283.db2.gz TXLMONNVCLQTID-ZDUSSCGKSA-N 1 1 294.464 3.002 20 30 CGEDMO C=CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](F)C(C)C ZINC001282677223 809259434 /nfs/dbraw/zinc/25/94/34/809259434.db2.gz YYIKWIZQFMFNTA-HOTGVXAUSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1C[N@H+](CC(C)C)CC1(C)C ZINC001282812582 809263053 /nfs/dbraw/zinc/26/30/53/809263053.db2.gz XBERMBVDYPBSLF-AWEZNQCLSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCCC(=O)N[C@H]1C[N@H+](CC/C=C/CC)CC1(C)C ZINC001282790590 809263476 /nfs/dbraw/zinc/26/34/76/809263476.db2.gz HSZCCEFRKYUKFY-HEWZJLJBSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCC)C[C@@H]2C1 ZINC001282938037 809266643 /nfs/dbraw/zinc/26/66/43/809266643.db2.gz JBSHEJRWKGTECJ-RRFJBIMHSA-N 1 1 298.858 3.146 20 30 CGEDMO C#CCC[N@H+](C)C1CCN(C(=O)C[C@@H](C)CC(C)C)CC1 ZINC001283339973 809276416 /nfs/dbraw/zinc/27/64/16/809276416.db2.gz BXQYOXHRUOXISJ-INIZCTEOSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCCCC(=O)N[C@@]12CCC[C@H]1[N@@H+](CCCC)CC2 ZINC001284070332 809294855 /nfs/dbraw/zinc/29/48/55/809294855.db2.gz SMZKTWKBNINHFB-NVXWUHKLSA-N 1 1 278.440 3.256 20 30 CGEDMO C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H](C)C2CC2)CC1 ZINC001284677759 809314317 /nfs/dbraw/zinc/31/43/17/809314317.db2.gz MFWVDTWFPJJCKG-QWHCGFSZSA-N 1 1 298.858 3.002 20 30 CGEDMO CCc1ccc(CC[N@@H+](C)[C@H]2CCC[C@@H]2C#N)cc1 ZINC001175250225 809325392 /nfs/dbraw/zinc/32/53/92/809325392.db2.gz PHTPODGWPMPQOD-SJORKVTESA-N 1 1 256.393 3.416 20 30 CGEDMO Cc1[nH+]c2ccccn2c1Nc1cc(F)cc(C#N)c1 ZINC001175684082 809503435 /nfs/dbraw/zinc/50/34/35/809503435.db2.gz YXMFWJHWIUHKSP-UHFFFAOYSA-N 1 1 266.279 3.397 20 30 CGEDMO CCCCCCCC(=O)N(CCC)[C@H]1CC[N@@H+](C)C1 ZINC001299832704 809556181 /nfs/dbraw/zinc/55/61/81/809556181.db2.gz DZQOGDMCPSXJSH-HNNXBMFYSA-N 1 1 268.445 3.290 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC001175982263 809591338 /nfs/dbraw/zinc/59/13/38/809591338.db2.gz DEAGQEJFSFKCSV-JKIFEVAISA-N 1 1 294.439 3.140 20 30 CGEDMO CCCCCCCCC[N@H+]1CCOC[C@H]1COC ZINC001176390917 809683870 /nfs/dbraw/zinc/68/38/70/809683870.db2.gz NKWCLSURHFAQDR-OAHLLOKOSA-N 1 1 257.418 3.084 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCc2cc(O)ccc2C1 ZINC001177015486 809774568 /nfs/dbraw/zinc/77/45/68/809774568.db2.gz JBKVGRBGEBKGQX-UHFFFAOYSA-N 1 1 278.355 3.131 20 30 CGEDMO C#Cc1cccc(C[NH2+]Cc2c(O)ccc(Cl)c2F)c1 ZINC001178950290 809895844 /nfs/dbraw/zinc/89/58/44/809895844.db2.gz MBERCBHAWHLLFU-UHFFFAOYSA-N 1 1 289.737 3.456 20 30 CGEDMO C#Cc1ccc(CNc2ccc(OCC)c(C)[nH+]2)cc1 ZINC001179232727 809910595 /nfs/dbraw/zinc/91/05/95/809910595.db2.gz OYKRUCDWPZFBPJ-UHFFFAOYSA-N 1 1 266.344 3.382 20 30 CGEDMO C[C@H](CC#N)[NH2+]Cc1cccc(Oc2ccccn2)c1 ZINC001179479851 809923868 /nfs/dbraw/zinc/92/38/68/809923868.db2.gz WKTPXZOUKPAKNZ-CYBMUJFWSA-N 1 1 267.332 3.266 20 30 CGEDMO C#CC[N@H+](C/C=C/c1ccc(N(C)C)cc1)CC1CC1 ZINC001180116303 809975301 /nfs/dbraw/zinc/97/53/01/809975301.db2.gz ISQMRRAJQQUJDK-AATRIKPKSA-N 1 1 268.404 3.111 20 30 CGEDMO C[C@H](C#N)c1ccc(NC(=O)C[N@@H+](C)C2CCCC2)cc1 ZINC001180629209 810015246 /nfs/dbraw/zinc/01/52/46/810015246.db2.gz PUFMPTWVVSSLJJ-CYBMUJFWSA-N 1 1 285.391 3.127 20 30 CGEDMO CCCCCCC[C@@H](C)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001181123611 810038948 /nfs/dbraw/zinc/03/89/48/810038948.db2.gz VSHQRZCUVMFNSN-OAGGEKHMSA-N 1 1 280.456 3.003 20 30 CGEDMO CCCCCCC[C@H](C)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC001181132455 810039914 /nfs/dbraw/zinc/03/99/14/810039914.db2.gz DDLRXQVRUXVLGH-GJZGRUSLSA-N 1 1 268.445 3.193 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H]1C[C@@]1(C)Br ZINC001181315086 810047374 /nfs/dbraw/zinc/04/73/74/810047374.db2.gz JUZXKIVJGCQVGI-IJLUTSLNSA-N 1 1 258.203 3.200 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)CC(C)(C)CC(=O)OCC ZINC001181637223 810062486 /nfs/dbraw/zinc/06/24/86/810062486.db2.gz BXNDQHZYGTYFOX-UHFFFAOYSA-N 1 1 287.403 3.101 20 30 CGEDMO N#C[C@H]1CC[C@@H]([NH2+]Cc2c(Cl)ccnc2Cl)C1 ZINC001182499260 810112846 /nfs/dbraw/zinc/11/28/46/810112846.db2.gz MYJXOBXONFWLMT-DTWKUNHWSA-N 1 1 270.163 3.170 20 30 CGEDMO C[C@@H](C#N)c1ccc(NC(=O)[C@@H]2CCC[N@H+]2CC2CC2)cc1 ZINC001182554340 810114886 /nfs/dbraw/zinc/11/48/86/810114886.db2.gz FSDOEEMOBREALL-GUYCJALGSA-N 1 1 297.402 3.127 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)CCCC)[C@@H]2C1 ZINC001186966119 810375430 /nfs/dbraw/zinc/37/54/30/810375430.db2.gz PKAPMHZLDNDGOT-IXDOHACOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCC3CC3)[C@@H]2C1 ZINC001187367832 810396734 /nfs/dbraw/zinc/39/67/34/810396734.db2.gz YCGISEMMCURCQL-BHYGNILZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)c2sccc2C)C1 ZINC001188653878 810498484 /nfs/dbraw/zinc/49/84/84/810498484.db2.gz XKBOGHOGFJECRF-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccccc2C)C1 ZINC001188703349 810505092 /nfs/dbraw/zinc/50/50/92/810505092.db2.gz WJWZEOKGEKWHPO-MRXNPFEDSA-N 1 1 286.419 3.108 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C=C2CCCCC2)C1 ZINC001189151598 810544789 /nfs/dbraw/zinc/54/47/89/810544789.db2.gz NRIVKMFTHTWHRK-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CCC)C(C)C)[C@@H]2C1 ZINC001189292519 810555530 /nfs/dbraw/zinc/55/55/30/810555530.db2.gz JUQXDUPOROHUIN-YESZJQIVSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C[C@H](C)C(C)C)C1 ZINC001189328894 810560619 /nfs/dbraw/zinc/56/06/19/810560619.db2.gz WIDRIHVLJYNMGE-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)CC2=CCCCC2)C1 ZINC001189354227 810563040 /nfs/dbraw/zinc/56/30/40/810563040.db2.gz OBNUYQACXLDJHZ-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)CC2CCC2)C1 ZINC001189527576 810575325 /nfs/dbraw/zinc/57/53/25/810575325.db2.gz PDMTYBFYBKZXLR-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)C2CC2)C1 ZINC001189546371 810576709 /nfs/dbraw/zinc/57/67/09/810576709.db2.gz BSBHMXMPKQWBMM-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CCC2CCC2)C1 ZINC001189564905 810577789 /nfs/dbraw/zinc/57/77/89/810577789.db2.gz IWIHRJSTSHAQRG-WBVHZDCISA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)CC(C)C)[C@@H]2C1 ZINC001189559799 810578092 /nfs/dbraw/zinc/57/80/92/810578092.db2.gz CCITUZZUHYWAQO-YESZJQIVSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001190156701 810611510 /nfs/dbraw/zinc/61/15/10/810611510.db2.gz UUNMKLQVBASRPS-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc[nH]c2)C1 ZINC001190290076 810618707 /nfs/dbraw/zinc/61/87/07/810618707.db2.gz IWNWIZPMWSHWOE-MRXNPFEDSA-N 1 1 291.439 3.131 20 30 CGEDMO CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)CCCCC(C)(C)C)C1 ZINC001190337610 810621918 /nfs/dbraw/zinc/62/19/18/810621918.db2.gz UHMIVVNIUWTECV-MRXNPFEDSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@@H]([N@H+](C)CCCC(C)C)C1 ZINC001190429022 810628446 /nfs/dbraw/zinc/62/84/46/810628446.db2.gz TVHPIDLDTQGBNI-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@@H]([N@H+](C)CC/C=C/CC)C1 ZINC001190428623 810628658 /nfs/dbraw/zinc/62/86/58/810628658.db2.gz MNUMGVDJBPKSFR-FYCOFBDGSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CCC(=C)C)C1 ZINC001190428463 810628824 /nfs/dbraw/zinc/62/88/24/810628824.db2.gz JBEPEBQUALBUTJ-JKSUJKDBSA-N 1 1 278.440 3.230 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C2(C3CC3)CC2)C1 ZINC001190816392 810650904 /nfs/dbraw/zinc/65/09/04/810650904.db2.gz CTKQFBSRTARGJN-GOEBONIOSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H]2C=CCCC2)C1 ZINC001190879062 810654017 /nfs/dbraw/zinc/65/40/17/810654017.db2.gz NVRVQOKQUXFFCZ-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)C(C)(C)C)C1 ZINC001190932676 810656591 /nfs/dbraw/zinc/65/65/91/810656591.db2.gz AXNOGFHRPNKVRI-CABCVRRESA-N 1 1 280.456 3.168 20 30 CGEDMO CCCCCCCCNC(=O)N1CC[N@@H+](CC)[C@H](C)C1 ZINC001191069860 810669665 /nfs/dbraw/zinc/66/96/65/810669665.db2.gz VRDQMCCLNBPMLG-OAHLLOKOSA-N 1 1 283.460 3.083 20 30 CGEDMO CO[C@]1(C)C[C@H]([N@@H+](C)CC2CCC(C#N)CC2)C1(C)C ZINC001191202006 810687915 /nfs/dbraw/zinc/68/79/15/810687915.db2.gz CRQYIAIJVGGTEB-UMPYDWHISA-N 1 1 278.440 3.452 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C2(CCF)CC2)C1 ZINC001191507659 810721071 /nfs/dbraw/zinc/72/10/71/810721071.db2.gz NDVHPVLJTPMBLR-CABCVRRESA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C2(C)CCC2)C1 ZINC001191755921 810736626 /nfs/dbraw/zinc/73/66/26/810736626.db2.gz ZVWFYWBADXYCTJ-HUUCEWRRSA-N 1 1 278.440 3.064 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](F)CC)C1 ZINC001191763905 810737551 /nfs/dbraw/zinc/73/75/51/810737551.db2.gz QBJKUYYGEDVEJC-GJZGRUSLSA-N 1 1 286.435 3.238 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[C@H]([N@@H+](C)CCC(=C)C)C1 ZINC001192162343 810772967 /nfs/dbraw/zinc/77/29/67/810772967.db2.gz OKBQALPZZTUGIN-DOTOQJQBSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCC1(C(=O)N2CC[C@H]([N@@H+](C)CCC(=C)C)C2)CC1 ZINC001192207815 810775519 /nfs/dbraw/zinc/77/55/19/810775519.db2.gz ZSYFWUMVKIQFOC-INIZCTEOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(CC)C[N@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC001192824670 810822261 /nfs/dbraw/zinc/82/22/61/810822261.db2.gz SMAJFPYPAJEUBY-ZIAGYGMSSA-N 1 1 282.428 3.282 20 30 CGEDMO C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)CCCCCC)C1 ZINC001192986071 810839036 /nfs/dbraw/zinc/83/90/36/810839036.db2.gz ALHMGFQBHJVVER-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)C2CCCC2)C1 ZINC001193372503 810881279 /nfs/dbraw/zinc/88/12/79/810881279.db2.gz CUYZFWDJVOWHAL-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)CC(C)C)C1 ZINC001193408652 810883410 /nfs/dbraw/zinc/88/34/10/810883410.db2.gz OLVKZDDDTXMWQQ-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO CC#CC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001193417133 810886008 /nfs/dbraw/zinc/88/60/08/810886008.db2.gz MPLAYSDSRSASGN-CVEARBPZSA-N 1 1 292.467 3.005 20 30 CGEDMO CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001193479518 810893351 /nfs/dbraw/zinc/89/33/51/810893351.db2.gz XBVWPBHFCSHFKI-HZPDHXFCSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H](CC)C(C)C)C1 ZINC001193560029 810908341 /nfs/dbraw/zinc/90/83/41/810908341.db2.gz NYJFNTXBRVFJFH-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C#CCC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)CCCCC)C1 ZINC001194174545 811027713 /nfs/dbraw/zinc/02/77/13/811027713.db2.gz UGNSJUZWLKXUGV-MRXNPFEDSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](CC)CCCCC)C1 ZINC001194184140 811030555 /nfs/dbraw/zinc/03/05/55/811030555.db2.gz ZCYCOWYAZGNOAP-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](CCC)CC(C)C)C1 ZINC001194368692 811060441 /nfs/dbraw/zinc/06/04/41/811060441.db2.gz XLYBWOYCQPASCA-IRXDYDNUSA-N 1 1 292.467 3.005 20 30 CGEDMO Cn1c[nH+]c2cccc(Nc3cc(C#N)ccc3F)c21 ZINC001214601448 815430835 /nfs/dbraw/zinc/43/08/35/815430835.db2.gz MBKSXGKYFMXGKV-UHFFFAOYSA-N 1 1 266.279 3.328 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)[C@H](CC)CCCC)CC1 ZINC001194935957 811174676 /nfs/dbraw/zinc/17/46/76/811174676.db2.gz KAYZRJNUUONIII-MRXNPFEDSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@H](C)CCC)CC1 ZINC001195383921 811248806 /nfs/dbraw/zinc/24/88/06/811248806.db2.gz SEUZZARNNKJROG-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO CCCCCCC[N@H+]1CCCN(C(=O)C#CC(C)C)CC1 ZINC001195754695 811285976 /nfs/dbraw/zinc/28/59/76/811285976.db2.gz RYJKTQFKRFFRMT-UHFFFAOYSA-N 1 1 292.467 3.151 20 30 CGEDMO C[N@@H+](C[C@@H](O)c1cccc(C#N)c1)CC1CCC2(CC2)CC1 ZINC001195876711 811298307 /nfs/dbraw/zinc/29/83/07/811298307.db2.gz MQGQMJKRNODBGF-GOSISDBHSA-N 1 1 298.430 3.494 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@@H](C)[C@H]1CCO ZINC001195938659 811304324 /nfs/dbraw/zinc/30/43/24/811304324.db2.gz QVBYRRWDRFDJMP-FZKQIMNGSA-N 1 1 286.419 3.158 20 30 CGEDMO C=CC[C@@H](C(=O)OC)[N@H+]1CCC[C@H](C2CCCCC2)C1 ZINC001196411195 811342288 /nfs/dbraw/zinc/34/22/88/811342288.db2.gz ZSCLWRACDAFYGX-HOTGVXAUSA-N 1 1 279.424 3.396 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC001196487572 811347973 /nfs/dbraw/zinc/34/79/73/811347973.db2.gz OGDRHWWAPNDKDA-HZPDHXFCSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[N@H+](CC/C=C/CC)CC1 ZINC001196890650 811380091 /nfs/dbraw/zinc/38/00/91/811380091.db2.gz VCBVOVGAQGIDGW-IWAYRVGRSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCCC1(C(=O)N2CCC[N@H+](CCC(C)C)CC2)CC1 ZINC001197062597 811395174 /nfs/dbraw/zinc/39/51/74/811395174.db2.gz UMYAFXQRSNJSAX-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C#CC[N@H+]1CCCN(C(=O)[C@H](CCCCC)C(C)C)CC1 ZINC001197747129 811450688 /nfs/dbraw/zinc/45/06/88/811450688.db2.gz IDNJAPYDYOTTMI-QGZVFWFLSA-N 1 1 292.467 3.006 20 30 CGEDMO C#CC[N@@H+]1CCCN(C(=O)[C@H](CCCCC)C(C)C)CC1 ZINC001197747129 811450692 /nfs/dbraw/zinc/45/06/92/811450692.db2.gz IDNJAPYDYOTTMI-QGZVFWFLSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@]1(C)Cc1cccs1 ZINC001198300191 811489269 /nfs/dbraw/zinc/48/92/69/811489269.db2.gz KOWCWBDOTWQRCR-ZBFHGGJFSA-N 1 1 279.449 3.472 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)[C@H](C)CCO1 ZINC001198761267 811540003 /nfs/dbraw/zinc/54/00/03/811540003.db2.gz HSGPIRYQYLCIRY-VXGBXAGGSA-N 1 1 278.783 3.211 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@]23CCOC3)c(Cl)c1 ZINC001198768342 811541984 /nfs/dbraw/zinc/54/19/84/811541984.db2.gz GYCBBTHAMVNEDZ-INIZCTEOSA-N 1 1 290.794 3.357 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCC[C@@]23CCOC3)c(Cl)c1 ZINC001198768342 811541989 /nfs/dbraw/zinc/54/19/89/811541989.db2.gz GYCBBTHAMVNEDZ-INIZCTEOSA-N 1 1 290.794 3.357 20 30 CGEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](C[C@H](C)CC)C2 ZINC001201502826 811871830 /nfs/dbraw/zinc/87/18/30/811871830.db2.gz LGVNEDZXNVDFKR-BRWVUGGUSA-N 1 1 281.440 3.106 20 30 CGEDMO N#Cc1ccc(Nc2cc[nH+]cc2C(F)(F)F)c(F)c1 ZINC001201555732 811903618 /nfs/dbraw/zinc/90/36/18/811903618.db2.gz LLOOMXHOOCLNTL-UHFFFAOYSA-N 1 1 281.212 3.277 20 30 CGEDMO CCC[C@@H](C)C[NH+]1CC(Oc2ccccc2C#N)C1 ZINC001201563126 811905770 /nfs/dbraw/zinc/90/57/70/811905770.db2.gz KOHBDKIHOFDTOS-CYBMUJFWSA-N 1 1 258.365 3.057 20 30 CGEDMO COc1ccc(C#N)cc1Nc1c(C)cc[nH+]c1C ZINC001201580492 811911797 /nfs/dbraw/zinc/91/17/97/811911797.db2.gz QNDPCCGMSMOZBY-UHFFFAOYSA-N 1 1 253.305 3.322 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H](CC(=O)OC)C1 ZINC001201797697 811966821 /nfs/dbraw/zinc/96/68/21/811966821.db2.gz DCIVOJOKCUQWFK-CQSZACIVSA-N 1 1 255.402 3.232 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@]2(C1)CCCCN2C(C)=O ZINC001201777209 811964844 /nfs/dbraw/zinc/96/48/44/811964844.db2.gz TUVWSEAKPHHVEC-KRWDZBQOSA-N 1 1 280.456 3.434 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@H]2C[C@]21C(=O)OCC ZINC001201804444 811966516 /nfs/dbraw/zinc/96/65/16/811966516.db2.gz JYBFCPLSSVQEHH-GOEBONIOSA-N 1 1 267.413 3.374 20 30 CGEDMO CCCCCCCC[N@H+]1CC2CC1(C(=O)N1CCCC1)C2 ZINC001201814667 811967508 /nfs/dbraw/zinc/96/75/08/811967508.db2.gz RIVRPAVCUCUFSY-UHFFFAOYSA-N 1 1 292.467 3.434 20 30 CGEDMO CCCCCCCCN1CCC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001201826310 811968332 /nfs/dbraw/zinc/96/83/32/811968332.db2.gz RLDRGFSPHWPGEE-HOTGVXAUSA-N 1 1 252.446 3.373 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@@H](Oc2ncccn2)C1 ZINC001201840192 811969489 /nfs/dbraw/zinc/96/94/89/811969489.db2.gz OPWPCICQLIJTAY-OAHLLOKOSA-N 1 1 277.412 3.290 20 30 CGEDMO CCCCCCCCCC[N@@H+](C)CCC(=O)NC ZINC001201875353 811974360 /nfs/dbraw/zinc/97/43/60/811974360.db2.gz WLBSKLFRYXDHSI-UHFFFAOYSA-N 1 1 256.434 3.195 20 30 CGEDMO COc1ccccc1C[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001203424880 812353301 /nfs/dbraw/zinc/35/33/01/812353301.db2.gz AOVFCXKIPQHCOL-UHFFFAOYSA-N 1 1 278.355 3.125 20 30 CGEDMO COc1ccccc1C[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001203424880 812353303 /nfs/dbraw/zinc/35/33/03/812353303.db2.gz AOVFCXKIPQHCOL-UHFFFAOYSA-N 1 1 278.355 3.125 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCOC[C@@H]2C2CCCCC2)c1 ZINC001203763734 812457690 /nfs/dbraw/zinc/45/76/90/812457690.db2.gz IGAISXNBLWBXNT-GOSISDBHSA-N 1 1 284.403 3.339 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](C(=O)c3ccccc3)C2)cc1 ZINC001203906687 812487855 /nfs/dbraw/zinc/48/78/55/812487855.db2.gz TXMIVJRETOLRBR-GOSISDBHSA-N 1 1 290.366 3.263 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1ccc(N(C)C)cc1 ZINC001203933742 812496289 /nfs/dbraw/zinc/49/62/89/812496289.db2.gz OYYLOEOBZZPYKM-UHFFFAOYSA-N 1 1 259.397 3.268 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1ccc(N(C)C)cc1 ZINC001203933742 812496292 /nfs/dbraw/zinc/49/62/92/812496292.db2.gz OYYLOEOBZZPYKM-UHFFFAOYSA-N 1 1 259.397 3.268 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2ccnc3ccccc23)CC1 ZINC001204088551 812546402 /nfs/dbraw/zinc/54/64/02/812546402.db2.gz OUNSIMGQNBCOEZ-AWEZNQCLSA-N 1 1 265.360 3.360 20 30 CGEDMO COC(=O)c1ccc(C[N@H+](CCC#N)C2CCCC2)cc1 ZINC001204149428 812557007 /nfs/dbraw/zinc/55/70/07/812557007.db2.gz ULLNORNFSGHUFA-UHFFFAOYSA-N 1 1 286.375 3.131 20 30 CGEDMO COC(=O)c1ccc(C[N@@H+](CCC#N)C2CCCC2)cc1 ZINC001204149428 812557013 /nfs/dbraw/zinc/55/70/13/812557013.db2.gz ULLNORNFSGHUFA-UHFFFAOYSA-N 1 1 286.375 3.131 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2F)CC1 ZINC001204219884 812576532 /nfs/dbraw/zinc/57/65/32/812576532.db2.gz OMRHIJORSMTGES-NSHDSACASA-N 1 1 250.292 3.090 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2cc(F)ccc2F)CC1 ZINC001204219884 812576538 /nfs/dbraw/zinc/57/65/38/812576538.db2.gz OMRHIJORSMTGES-NSHDSACASA-N 1 1 250.292 3.090 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCc3cccnc3C2)cc1 ZINC001204303967 812607068 /nfs/dbraw/zinc/60/70/68/812607068.db2.gz WDJRKJHDJYSEDT-UHFFFAOYSA-N 1 1 280.371 3.205 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCc3cccnc3C2)cc1 ZINC001204303967 812607073 /nfs/dbraw/zinc/60/70/73/812607073.db2.gz WDJRKJHDJYSEDT-UHFFFAOYSA-N 1 1 280.371 3.205 20 30 CGEDMO CC(C)[N@H+](CCC#N)Cc1ccc(Cl)cc1O ZINC001204470950 812651772 /nfs/dbraw/zinc/65/17/72/812651772.db2.gz BPXPLFYEBRNPHZ-UHFFFAOYSA-N 1 1 252.745 3.170 20 30 CGEDMO CC(C)[N@@H+](CCC#N)Cc1ccc(Cl)cc1O ZINC001204470950 812651778 /nfs/dbraw/zinc/65/17/78/812651778.db2.gz BPXPLFYEBRNPHZ-UHFFFAOYSA-N 1 1 252.745 3.170 20 30 CGEDMO C#CC[N@@H+](CC#CC)CCCc1c(F)cccc1Cl ZINC001204769397 812731433 /nfs/dbraw/zinc/73/14/33/812731433.db2.gz UCNYMKYHTXHZDF-UHFFFAOYSA-N 1 1 277.770 3.370 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2cccc3[nH]ccc32)CC1 ZINC001205289817 812933881 /nfs/dbraw/zinc/93/38/81/812933881.db2.gz MYDXUTCUIJJXPP-ZDUSSCGKSA-N 1 1 253.349 3.294 20 30 CGEDMO CC(C)[N@@H+](CCCCCO)Cc1ccc(F)c(C#N)c1 ZINC001205502445 812992823 /nfs/dbraw/zinc/99/28/23/812992823.db2.gz WWYWYQBBYZOSHP-UHFFFAOYSA-N 1 1 278.371 3.070 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1OCCC#N ZINC001205610199 813023594 /nfs/dbraw/zinc/02/35/94/813023594.db2.gz HQGAKRDMYCPZPY-INIZCTEOSA-N 1 1 272.392 3.217 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2CCCC2)C1 ZINC001205784476 813076172 /nfs/dbraw/zinc/07/61/72/813076172.db2.gz GZGIDZUMQRGMCB-BFYDXBDKSA-N 1 1 292.467 3.358 20 30 CGEDMO C[C@H]1CN(Cc2cccc(Cl)c2C#N)CCC[C@@H]1C[NH3+] ZINC001206003209 813160544 /nfs/dbraw/zinc/16/05/44/813160544.db2.gz FUTQBVQDAXYTNY-QWHCGFSZSA-N 1 1 291.826 3.018 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@H](N)[C@@H](F)CC2)CC1 ZINC001206153769 813216147 /nfs/dbraw/zinc/21/61/47/813216147.db2.gz FNGKDBVONFWEIE-OWCLPIDISA-N 1 1 266.404 3.050 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1cnc(C)cn1 ZINC001207077529 813480646 /nfs/dbraw/zinc/48/06/46/813480646.db2.gz UKYJBLWFKJFKTH-UHFFFAOYSA-N 1 1 267.376 3.363 20 30 CGEDMO C=CCC[N@@H+](Cc1nccn1CC)Cc1ccccc1 ZINC001207145480 813496506 /nfs/dbraw/zinc/49/65/06/813496506.db2.gz KMHDYSKJAHVEIH-UHFFFAOYSA-N 1 1 269.392 3.481 20 30 CGEDMO C=CCC[N@H+](Cc1nccn1CC)Cc1ccccc1 ZINC001207145480 813496512 /nfs/dbraw/zinc/49/65/12/813496512.db2.gz KMHDYSKJAHVEIH-UHFFFAOYSA-N 1 1 269.392 3.481 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1C ZINC001207158209 813499590 /nfs/dbraw/zinc/49/95/90/813499590.db2.gz LQFVSECKDIAOFN-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO N#C[C@H]1CC[N@@H+](CCCc2ccc(Br)cc2)C1 ZINC001207322122 813540556 /nfs/dbraw/zinc/54/05/56/813540556.db2.gz IOWGHKQPMWWDST-CYBMUJFWSA-N 1 1 293.208 3.227 20 30 CGEDMO N#C[C@H]1CC[N@H+](CCCc2ccc(Br)cc2)C1 ZINC001207322122 813540564 /nfs/dbraw/zinc/54/05/64/813540564.db2.gz IOWGHKQPMWWDST-CYBMUJFWSA-N 1 1 293.208 3.227 20 30 CGEDMO COc1ccccc1CC[N@@H+](CCC#N)C1CCCC1 ZINC001207455565 813567718 /nfs/dbraw/zinc/56/77/18/813567718.db2.gz CKCRKNRVMYNBAS-UHFFFAOYSA-N 1 1 272.392 3.396 20 30 CGEDMO COc1ccc(CCC[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC001207582854 813599080 /nfs/dbraw/zinc/59/90/80/813599080.db2.gz UGYZGPDXXJGXEQ-INIZCTEOSA-N 1 1 272.392 3.253 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C(C)(C)C)C1 ZINC001207716183 813640362 /nfs/dbraw/zinc/64/03/62/813640362.db2.gz CPKQVGQJCSXLAM-RBSFLKMASA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C(CC)CC)C1 ZINC001207786857 813650769 /nfs/dbraw/zinc/65/07/69/813650769.db2.gz JUODPQIAOKOWCN-IIAWOOMASA-N 1 1 280.456 3.071 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(CC(C)C)CCC2)C1 ZINC001207933847 813673624 /nfs/dbraw/zinc/67/36/24/813673624.db2.gz RUSFIXAVJCXGSN-HZPDHXFCSA-N 1 1 292.467 3.215 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CCN2CC[C@H]2C1 ZINC001208123218 813697678 /nfs/dbraw/zinc/69/76/78/813697678.db2.gz GTFFAGGOKCEJLF-FDMDGMSGSA-N 1 1 250.430 3.293 20 30 CGEDMO CCCCCCC/C=C/C[N@@H+]1CCn2cnnc2C1 ZINC001208120977 813697555 /nfs/dbraw/zinc/69/75/55/813697555.db2.gz XJUJNBKRZBNTJT-CMDGGOBGSA-N 1 1 262.401 3.010 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CCn2cnnc2C1 ZINC001208120977 813697558 /nfs/dbraw/zinc/69/75/58/813697558.db2.gz XJUJNBKRZBNTJT-CMDGGOBGSA-N 1 1 262.401 3.010 20 30 CGEDMO CCCCCCC/C=C/CN1CC[N@H+]2CC[C@H]2C1 ZINC001208123218 813697670 /nfs/dbraw/zinc/69/76/70/813697670.db2.gz GTFFAGGOKCEJLF-FDMDGMSGSA-N 1 1 250.430 3.293 20 30 CGEDMO CCCCCCC/C=C/C[N@@H+]1CCN2CC[C@H]2C1 ZINC001208123218 813697675 /nfs/dbraw/zinc/69/76/75/813697675.db2.gz GTFFAGGOKCEJLF-FDMDGMSGSA-N 1 1 250.430 3.293 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+](C)CCC(=O)OCC)CC1 ZINC001208178628 813728848 /nfs/dbraw/zinc/72/88/48/813728848.db2.gz VBFUWFHSEADFLQ-OAHLLOKOSA-N 1 1 265.397 3.174 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@@H](N(C)C)C2)CC1 ZINC001208176604 813729538 /nfs/dbraw/zinc/72/95/38/813729538.db2.gz IEDAGOXHXONSQJ-IAGOWNOFSA-N 1 1 262.441 3.315 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@@H](N(C)C)C2)CC1 ZINC001208176604 813729539 /nfs/dbraw/zinc/72/95/39/813729539.db2.gz IEDAGOXHXONSQJ-IAGOWNOFSA-N 1 1 262.441 3.315 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C)CCC2)C1 ZINC001208306839 813753924 /nfs/dbraw/zinc/75/39/24/813753924.db2.gz OBUQDYVXUQNYGP-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(CC)CC2)C1 ZINC001208520962 813765171 /nfs/dbraw/zinc/76/51/71/813765171.db2.gz ZGHOEHRYFQNJJT-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](CCC1CCCC1)C2 ZINC001208694874 813801347 /nfs/dbraw/zinc/80/13/47/813801347.db2.gz CVAYBBFREHKUOK-MSOLQXFVSA-N 1 1 293.451 3.393 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)CCC=C(C)C)C1 ZINC001208827172 813857864 /nfs/dbraw/zinc/85/78/64/813857864.db2.gz GUDFAGKFGPCRTC-BRWVUGGUSA-N 1 1 292.467 3.382 20 30 CGEDMO CC(C)c1ccc(NC2=CC[N@@H+](C)CC2)c(C#N)c1 ZINC001208858784 813871831 /nfs/dbraw/zinc/87/18/31/813871831.db2.gz RHKKGGCEKUVNEK-UHFFFAOYSA-N 1 1 255.365 3.313 20 30 CGEDMO C[N@@H+](C1CC1)C1CCN(CCCc2ccc(C#N)cc2)CC1 ZINC001208864642 813875073 /nfs/dbraw/zinc/87/50/73/813875073.db2.gz PJPAXYUZAWUTEO-UHFFFAOYSA-N 1 1 297.446 3.049 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CC[C@@H]3CCC[C@H]3C2)cc1 ZINC001208925625 813900919 /nfs/dbraw/zinc/90/09/19/813900919.db2.gz JUUJJYSPFXCTCB-IRXDYDNUSA-N 1 1 254.377 3.223 20 30 CGEDMO C[N@@H+](CCc1ccc(C#N)cc1)C[C@@H]1Cc2ccccc2O1 ZINC001208928807 813904391 /nfs/dbraw/zinc/90/43/91/813904391.db2.gz LOKQUVMEKIGIGU-SFHVURJKSA-N 1 1 292.382 3.036 20 30 CGEDMO N#CCC1CC[NH+](C[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001208951088 813906594 /nfs/dbraw/zinc/90/65/94/813906594.db2.gz YLOQEPBLUUMWQY-IBGZPJMESA-N 1 1 297.446 3.134 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCCCC)C[C@H]1C ZINC001208954250 813910727 /nfs/dbraw/zinc/91/07/27/813910727.db2.gz IAPWYJGYRFYNFI-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@H+](CCc1ccc2c(c1)CCO2)C(C)(C)C ZINC001209148469 813948622 /nfs/dbraw/zinc/94/86/22/813948622.db2.gz BKBRHJIJSAQMGA-UHFFFAOYSA-N 1 1 259.393 3.451 20 30 CGEDMO C=CCCC[N@@H+]1CCCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001209160196 813952360 /nfs/dbraw/zinc/95/23/60/813952360.db2.gz IQZUWRLOLUQRMG-UHFFFAOYSA-N 1 1 294.439 3.286 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@@H]1[C@H](C(N)=O)c1ccccc1 ZINC001209163205 813953996 /nfs/dbraw/zinc/95/39/96/813953996.db2.gz WJXAFMZUHIENFV-IAGOWNOFSA-N 1 1 286.419 3.076 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001209163977 813954103 /nfs/dbraw/zinc/95/41/03/813954103.db2.gz PXOOWSUZWFNMDA-MSOLQXFVSA-N 1 1 270.420 3.159 20 30 CGEDMO C=CCCCC[N@@H+]1CCCC12CN(C(=O)OC(C)(C)C)C2 ZINC001209200400 813964142 /nfs/dbraw/zinc/96/41/42/813964142.db2.gz HQQUESHAOULKQJ-UHFFFAOYSA-N 1 1 294.439 3.428 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@]2(C[C@@H](CCOC)CO2)C1 ZINC001209203598 813965948 /nfs/dbraw/zinc/96/59/48/813965948.db2.gz PXJMIOXGZVQFLJ-SJORKVTESA-N 1 1 281.440 3.250 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@]2(CCN(CC3CC3)C2=O)C1 ZINC001209202765 813966245 /nfs/dbraw/zinc/96/62/45/813966245.db2.gz IECKCJILPFTXKM-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCCCC[N@H+]1CC[C@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001209203313 813966943 /nfs/dbraw/zinc/96/69/43/813966943.db2.gz WJXXGRJPLAMJPS-IRXDYDNUSA-N 1 1 279.424 3.003 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@@]2(CCN(CC3CC3)C2=O)C1 ZINC001209202764 813967044 /nfs/dbraw/zinc/96/70/44/813967044.db2.gz IECKCJILPFTXKM-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@@H](Oc2cccc(OC)n2)C1 ZINC001209207606 813967720 /nfs/dbraw/zinc/96/77/20/813967720.db2.gz AZZJEVZSEASCRS-OAHLLOKOSA-N 1 1 290.407 3.290 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1cc(F)c(F)cc1F ZINC001209252141 813982333 /nfs/dbraw/zinc/98/23/33/813982333.db2.gz IBBUUWHRPQYHHD-UOJUARBOSA-N 1 1 294.320 3.413 20 30 CGEDMO C#CCCC[N@@H+]1CCCC[C@@H]1[C@H](C(=O)OC)c1ccccc1 ZINC001209269981 813988818 /nfs/dbraw/zinc/98/88/18/813988818.db2.gz SSCHCPXMTBYZRY-QZTJIDSGSA-N 1 1 299.414 3.211 20 30 CGEDMO N#CCC[N@@H+](CCOc1ccccc1)C1CCCC1 ZINC001209302215 813996529 /nfs/dbraw/zinc/99/65/29/813996529.db2.gz IGDUVUQJCZXHMR-UHFFFAOYSA-N 1 1 258.365 3.224 20 30 CGEDMO COc1cc(C#N)ccc1Nc1c[nH+]c2cccc(C)n12 ZINC001209326097 814000044 /nfs/dbraw/zinc/00/00/44/814000044.db2.gz QCHXKAGRZCWPCI-UHFFFAOYSA-N 1 1 278.315 3.267 20 30 CGEDMO CC[N@H+](CCC#N)CCCCCCNC(=O)OC(C)(C)C ZINC001209355975 814003306 /nfs/dbraw/zinc/00/33/06/814003306.db2.gz AUKMBKLNGLULPT-UHFFFAOYSA-N 1 1 297.443 3.307 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@]2(C1)c1ccccc1N(C)C2=O ZINC001209427169 814028858 /nfs/dbraw/zinc/02/88/58/814028858.db2.gz IBLWKRWBOIXKSB-IBGZPJMESA-N 1 1 298.430 3.353 20 30 CGEDMO C=CCCCCCC[N@H+]1CCCN(C(=O)C2CCC2)CC1 ZINC001209436026 814037019 /nfs/dbraw/zinc/03/70/19/814037019.db2.gz MQMMUEGOBMCMKA-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCCCCCCC[NH+]1CC(N2CCCC2)C1 ZINC001209439719 814038652 /nfs/dbraw/zinc/03/86/52/814038652.db2.gz WUMHXLXWXZGYHX-UHFFFAOYSA-N 1 1 250.430 3.293 20 30 CGEDMO C=CCCCCCC[N@H+]1CCC[C@H](NC(=O)OCC=C)C1 ZINC001209438297 814039656 /nfs/dbraw/zinc/03/96/56/814039656.db2.gz IWRYCYYLBJFGKU-INIZCTEOSA-N 1 1 294.439 3.500 20 30 CGEDMO C=CCCCCCC[N@H+]1CCS[C@@H](C(=O)OCC)C1 ZINC001209441556 814040933 /nfs/dbraw/zinc/04/09/33/814040933.db2.gz XPZAXMZPFSYWHK-CQSZACIVSA-N 1 1 285.453 3.103 20 30 CGEDMO C=CCCCCCCC[N@H+]1CCS[C@H](C(=O)OCC)C1 ZINC001209441263 814042089 /nfs/dbraw/zinc/04/20/89/814042089.db2.gz GLPSUALYYJZLBJ-HNNXBMFYSA-N 1 1 299.480 3.494 20 30 CGEDMO C=CCCCCCCCC[N@H+]1CCC2(C1)OCCO2 ZINC001209442643 814043873 /nfs/dbraw/zinc/04/38/73/814043873.db2.gz AOUSDIMHLBIRDC-UHFFFAOYSA-N 1 1 267.413 3.352 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CC(C)C)C1 ZINC001209808664 814149681 /nfs/dbraw/zinc/14/96/81/814149681.db2.gz TUFQDZUZZVIRLA-ARFHVFGLSA-N 1 1 280.456 3.071 20 30 CGEDMO N#Cc1cccc(F)c1Nc1ccc2[nH]c[nH+]c2c1 ZINC001209849062 814167814 /nfs/dbraw/zinc/16/78/14/814167814.db2.gz UVMDBGXNRSBSTQ-UHFFFAOYSA-N 1 1 252.252 3.317 20 30 CGEDMO C[N@H+]1CCc2ccc(Nc3ccc(F)cc3C#N)cc2C1 ZINC001210556568 814524522 /nfs/dbraw/zinc/52/45/22/814524522.db2.gz VKCMBGWBUOXOGD-UHFFFAOYSA-N 1 1 281.334 3.429 20 30 CGEDMO C=C(C)[C@H]1CC=C(C)[C@H](Oc2nc(CC)nc3c2C[NH2+]C3)C1 ZINC001218215732 816130259 /nfs/dbraw/zinc/13/02/59/816130259.db2.gz ADNJREFBUMZPDQ-XJKSGUPXSA-N 1 1 299.418 3.322 20 30 CGEDMO C[C@H](C#N)c1ccc(NC(=O)[C@@H]([NH3+])c2ccsc2)cc1 ZINC001218871985 816256628 /nfs/dbraw/zinc/25/66/28/816256628.db2.gz ZCLXXMLIPDXVIK-YGRLFVJLSA-N 1 1 285.372 3.014 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C(CC)CC)[C@@H]2C1 ZINC001221660820 816322413 /nfs/dbraw/zinc/32/24/13/816322413.db2.gz BYMZGEFNSYXVSG-DJIMGWMZSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](F)CC)[C@@H]2C1 ZINC001221738759 816324899 /nfs/dbraw/zinc/32/48/99/816324899.db2.gz UMKCBEMLIWHYEH-BZUAXINKSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)CC(=C)C)[C@@H]2C1 ZINC001221760263 816326559 /nfs/dbraw/zinc/32/65/59/816326559.db2.gz ALVQZTONGZCLQK-GVDBMIGSSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)CCC)[C@@H]2C1 ZINC001221781273 816328907 /nfs/dbraw/zinc/32/89/07/816328907.db2.gz PXBIDXSFLXWIKC-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)CC(C)(C)C)[C@@H]2C1 ZINC001221853601 816330427 /nfs/dbraw/zinc/33/04/27/816330427.db2.gz OZYLRDURIXBFCX-BZUAXINKSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)/C(C)=C\CC)C[C@@H]21 ZINC001222378231 816422563 /nfs/dbraw/zinc/42/25/63/816422563.db2.gz JAKPSUUTCDRTIO-DUEUMOEASA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCn1cc(-c2cc(N3CCCCC3)cc[nH+]2)cn1 ZINC001222378709 816423167 /nfs/dbraw/zinc/42/31/67/816423167.db2.gz BPEWWZGBXIGIKR-UHFFFAOYSA-N 1 1 268.364 3.121 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C=C(CC)CC)C[C@@H]21 ZINC001222523262 816460846 /nfs/dbraw/zinc/46/08/46/816460846.db2.gz ZLUNIDCJAIBOIK-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO CCCCCCCCCN1CCNC[C@@]2(CCCC[NH2+]2)C1 ZINC001222668963 816495165 /nfs/dbraw/zinc/49/51/65/816495165.db2.gz PFOZNZCNEZHVAW-SFHVURJKSA-N 1 1 295.515 3.155 20 30 CGEDMO CCCCCCCCCC[N@H+]1CC[C@@H]2NCCO[C@H]2C1 ZINC001222696828 816502711 /nfs/dbraw/zinc/50/27/11/816502711.db2.gz LLMOJTDOMXPMHY-IRXDYDNUSA-N 1 1 282.472 3.190 20 30 CGEDMO CCCCCCCCCCN1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001222696828 816502717 /nfs/dbraw/zinc/50/27/17/816502717.db2.gz LLMOJTDOMXPMHY-IRXDYDNUSA-N 1 1 282.472 3.190 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)C(C)C)C[C@@H]21 ZINC001223605655 816656742 /nfs/dbraw/zinc/65/67/42/816656742.db2.gz HQLMPUBISVEPMF-BBWFWOEESA-N 1 1 292.467 3.168 20 30 CGEDMO CCCCCCCCNC(=O)N(CCC)[C@H]1CC[N@@H+](C)C1 ZINC001224253867 816761505 /nfs/dbraw/zinc/76/15/05/816761505.db2.gz MYTMKFCHFWSSGZ-INIZCTEOSA-N 1 1 297.487 3.473 20 30 CGEDMO C=CCCO[C@H]1CCC[N@H+]([C@@H](C)c2ccccn2)C1 ZINC001224339172 816782528 /nfs/dbraw/zinc/78/25/28/816782528.db2.gz FRYONPVSQQXVOW-GJZGRUSLSA-N 1 1 260.381 3.200 20 30 CGEDMO N#CCCCCCO[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001224689659 816854177 /nfs/dbraw/zinc/85/41/77/816854177.db2.gz GRZJSVCMAGBDJL-SFHVURJKSA-N 1 1 297.402 3.233 20 30 CGEDMO C=C(C)n1c2ccccc2nc1O[C@H]1CC[N@H+](C(C)C)C1 ZINC001226217931 817300625 /nfs/dbraw/zinc/30/06/25/817300625.db2.gz ANALXDMQEHWFED-AWEZNQCLSA-N 1 1 285.391 3.388 20 30 CGEDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(F)cc1C#N)C2 ZINC001227025971 817537507 /nfs/dbraw/zinc/53/75/07/817537507.db2.gz SLODYHHHIOZHFH-ZSHCYNCHSA-N 1 1 288.366 3.480 20 30 CGEDMO CC(C)(C)[NH+]1CC(Oc2cccc(Cl)c2C#N)C1 ZINC001227789078 817721260 /nfs/dbraw/zinc/72/12/60/817721260.db2.gz IJPZLIFUYWYMOU-UHFFFAOYSA-N 1 1 264.756 3.073 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CC[C@]3(CCCO3)C2)c1 ZINC001231621194 818137757 /nfs/dbraw/zinc/13/77/57/818137757.db2.gz SLXABKCDQSFADY-QGZVFWFLSA-N 1 1 273.376 3.006 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)c1 ZINC001231621965 818138175 /nfs/dbraw/zinc/13/81/75/818138175.db2.gz MYEDKAXPVHDNJS-WMZOPIPTSA-N 1 1 287.403 3.252 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCc3ncccc3C2)c1 ZINC001231623758 818139660 /nfs/dbraw/zinc/13/96/60/818139660.db2.gz UUNFRIGNZRRJDP-UHFFFAOYSA-N 1 1 280.371 3.205 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCc3ncccc3C2)c1 ZINC001231623758 818139663 /nfs/dbraw/zinc/13/96/63/818139663.db2.gz UUNFRIGNZRRJDP-UHFFFAOYSA-N 1 1 280.371 3.205 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2coc(-c3ccccc3)n2)CC1 ZINC001231631636 818142514 /nfs/dbraw/zinc/14/25/14/818142514.db2.gz HDMJQFNDXQGSOP-AWEZNQCLSA-N 1 1 281.359 3.467 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2coc(-c3ccccc3)n2)CC1 ZINC001231631636 818142518 /nfs/dbraw/zinc/14/25/18/818142518.db2.gz HDMJQFNDXQGSOP-AWEZNQCLSA-N 1 1 281.359 3.467 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CCc3cccc(OC)c3C2)c1 ZINC001231658188 818150017 /nfs/dbraw/zinc/15/00/17/818150017.db2.gz QVQSSKKDTITROE-UHFFFAOYSA-N 1 1 277.367 3.235 20 30 CGEDMO C#Cc1cccc(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC001231657233 818150741 /nfs/dbraw/zinc/15/07/41/818150741.db2.gz ZHVMZXXFWFDJDF-HXUWFJFHSA-N 1 1 290.410 3.157 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CCN(C)C[C@@H]2c2ccccc2)c1 ZINC001231657233 818150743 /nfs/dbraw/zinc/15/07/43/818150743.db2.gz ZHVMZXXFWFDJDF-HXUWFJFHSA-N 1 1 290.410 3.157 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)c1 ZINC001231657233 818150748 /nfs/dbraw/zinc/15/07/48/818150748.db2.gz ZHVMZXXFWFDJDF-HXUWFJFHSA-N 1 1 290.410 3.157 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)c1 ZINC001231659924 818151865 /nfs/dbraw/zinc/15/18/65/818151865.db2.gz XAJQHZBJMLYDBR-ZDUSSCGKSA-N 1 1 253.267 3.052 20 30 CGEDMO Cc1nc(-c2ccccc2)ncc1C[NH+]1CCC(C#N)CC1 ZINC001231793107 818178916 /nfs/dbraw/zinc/17/89/16/818178916.db2.gz BCUNQMNZAZNBBC-UHFFFAOYSA-N 1 1 292.386 3.188 20 30 CGEDMO COC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)c(Cl)c1 ZINC001232112613 818258201 /nfs/dbraw/zinc/25/82/01/818258201.db2.gz ZJYJLSQXEYGBKL-CQSZACIVSA-N 1 1 278.783 3.213 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1ccc(O)c2ncccc12 ZINC001232276276 818303413 /nfs/dbraw/zinc/30/34/13/818303413.db2.gz QSHBGRKRZBADKB-UHFFFAOYSA-N 1 1 269.348 3.066 20 30 CGEDMO CCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(C)n1 ZINC001232311214 818310965 /nfs/dbraw/zinc/31/09/65/818310965.db2.gz SXHCARQFIJSODR-MKZZRHPPSA-N 1 1 285.391 3.055 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(OCc3ccccc3)no2)C1 ZINC001232450854 818355405 /nfs/dbraw/zinc/35/54/05/818355405.db2.gz BDAWJKDMUSQRQX-OAHLLOKOSA-N 1 1 296.370 3.099 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(OCc3ccccc3)no2)C1 ZINC001232450854 818355411 /nfs/dbraw/zinc/35/54/11/818355411.db2.gz BDAWJKDMUSQRQX-OAHLLOKOSA-N 1 1 296.370 3.099 20 30 CGEDMO N#Cc1ccnc(C[N@H+]2CC=C(c3ccccc3)CC2)c1 ZINC001232477934 818365132 /nfs/dbraw/zinc/36/51/32/818365132.db2.gz DUNKOTHATPSXOJ-UHFFFAOYSA-N 1 1 275.355 3.243 20 30 CGEDMO N#Cc1ccnc(C[N@@H+]2CC=C(c3ccccc3)CC2)c1 ZINC001232477934 818365135 /nfs/dbraw/zinc/36/51/35/818365135.db2.gz DUNKOTHATPSXOJ-UHFFFAOYSA-N 1 1 275.355 3.243 20 30 CGEDMO COc1ccc([C@H]2CCC[N@@H+]2Cc2cc(C#N)ccn2)cc1 ZINC001232481320 818366993 /nfs/dbraw/zinc/36/69/93/818366993.db2.gz ZHYNROYIVVDBKX-GOSISDBHSA-N 1 1 293.370 3.299 20 30 CGEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2cc(C#N)ccn2)cc1 ZINC001232481320 818367000 /nfs/dbraw/zinc/36/70/00/818367000.db2.gz ZHYNROYIVVDBKX-GOSISDBHSA-N 1 1 293.370 3.299 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)s1)C[C@@H]1Cc2ccccc2O1 ZINC001232846635 818454461 /nfs/dbraw/zinc/45/44/61/818454461.db2.gz LVWDDIRCSBKHLX-ZDUSSCGKSA-N 1 1 284.384 3.055 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)n1)Cc1cccc2cccnc21 ZINC001232924599 818472944 /nfs/dbraw/zinc/47/29/44/818472944.db2.gz MTJODALQUORAEY-UHFFFAOYSA-N 1 1 288.354 3.133 20 30 CGEDMO COc1cccc([C@H]2CCC[N@H+]2Cc2cccc(C#N)n2)c1 ZINC001232926068 818475642 /nfs/dbraw/zinc/47/56/42/818475642.db2.gz YYCBVENFXDEWOA-GOSISDBHSA-N 1 1 293.370 3.299 20 30 CGEDMO C[N@@H+](C/C=C/c1ccccc1)Cc1cccc(C#N)n1 ZINC001232925760 818476224 /nfs/dbraw/zinc/47/62/24/818476224.db2.gz NITGYOHMADXCBF-RMKNXTFCSA-N 1 1 263.344 3.098 20 30 CGEDMO N#Cc1cc[nH]c1C[NH+]1CCC2(C=Cc3ccccc32)CC1 ZINC001233043899 818507766 /nfs/dbraw/zinc/50/77/66/818507766.db2.gz NSUWHCWPLIXIGA-UHFFFAOYSA-N 1 1 289.382 3.447 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC(=O)[C@@H]2CCCC[C@H]21 ZINC001233080060 818518929 /nfs/dbraw/zinc/51/89/29/818518929.db2.gz CGWOEZXIHVFEED-IAGOWNOFSA-N 1 1 282.387 3.200 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC(=O)[C@@H]2CCCC[C@H]21 ZINC001233080060 818518934 /nfs/dbraw/zinc/51/89/34/818518934.db2.gz CGWOEZXIHVFEED-IAGOWNOFSA-N 1 1 282.387 3.200 20 30 CGEDMO COCC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1C ZINC001233081165 818518956 /nfs/dbraw/zinc/51/89/56/818518956.db2.gz RLJJDDIRSFBETL-KRWDZBQOSA-N 1 1 272.392 3.258 20 30 CGEDMO C#CC[N@@H+](C)Cc1ccc(F)cc1OCc1ccccc1 ZINC001233244998 818551333 /nfs/dbraw/zinc/55/13/33/818551333.db2.gz BZTDNJCZOFECSF-UHFFFAOYSA-N 1 1 283.346 3.470 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(F)cc1OCc1ccccc1 ZINC001233244998 818551338 /nfs/dbraw/zinc/55/13/38/818551338.db2.gz BZTDNJCZOFECSF-UHFFFAOYSA-N 1 1 283.346 3.470 20 30 CGEDMO C#CC[NH+](CC#C)Cc1ccc(Cc2ccccc2)cc1 ZINC001233331749 818583499 /nfs/dbraw/zinc/58/34/99/818583499.db2.gz JIWKNUIEBVKVAX-UHFFFAOYSA-N 1 1 273.379 3.346 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001233339657 818588211 /nfs/dbraw/zinc/58/82/11/818588211.db2.gz TVWXOBJOJZDEAP-UHFFFAOYSA-N 1 1 274.364 3.099 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](Cc2cc3cccnc3s2)C1 ZINC001233349641 818594208 /nfs/dbraw/zinc/59/42/08/818594208.db2.gz BFLKGPSUGNCXGV-AWEZNQCLSA-N 1 1 257.362 3.032 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](Cc2cc3cccnc3s2)C1 ZINC001233349641 818594212 /nfs/dbraw/zinc/59/42/12/818594212.db2.gz BFLKGPSUGNCXGV-AWEZNQCLSA-N 1 1 257.362 3.032 20 30 CGEDMO C[C@H]1c2ccccc2CC[N@H+]1Cc1ccc(C#N)cc1O ZINC001233383217 818604809 /nfs/dbraw/zinc/60/48/09/818604809.db2.gz ANPDBLPNINSQRP-ZDUSSCGKSA-N 1 1 278.355 3.383 20 30 CGEDMO C[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(C#N)cc1O ZINC001233383217 818604812 /nfs/dbraw/zinc/60/48/12/818604812.db2.gz ANPDBLPNINSQRP-ZDUSSCGKSA-N 1 1 278.355 3.383 20 30 CGEDMO N#Cc1ccc(C[NH+]2CCC(c3ccccn3)CC2)c(O)c1 ZINC001233386552 818607366 /nfs/dbraw/zinc/60/73/66/818607366.db2.gz YHFPRSKCSJBORL-UHFFFAOYSA-N 1 1 293.370 3.038 20 30 CGEDMO CCCCCCC[N@@H+](C)CCCNC(=O)[C@H]1C[C@@H]1C ZINC001233519124 818631413 /nfs/dbraw/zinc/63/14/13/818631413.db2.gz ZVSUUZNVRRZZAS-GJZGRUSLSA-N 1 1 268.445 3.051 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)/C(C)=C/C ZINC001233562316 818643636 /nfs/dbraw/zinc/64/36/36/818643636.db2.gz YJNPMMBEHBLAPO-KNDGBBJPSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCc1ccc(O[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC001233597439 818653406 /nfs/dbraw/zinc/65/34/06/818653406.db2.gz MMZYOBLLMFASNX-HNNXBMFYSA-N 1 1 254.333 3.005 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)c(C)o1 ZINC001233612821 818658397 /nfs/dbraw/zinc/65/83/97/818658397.db2.gz ZCIDCGVIRCFROU-OAHLLOKOSA-N 1 1 290.407 3.009 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C=C(CC)CC ZINC001233643762 818667838 /nfs/dbraw/zinc/66/78/38/818667838.db2.gz HXPYBWYXHVKLMH-INIZCTEOSA-N 1 1 278.440 3.232 20 30 CGEDMO N#C[C@H](Oc1ccc2[nH+]ccn2c1)c1cccc(F)c1 ZINC001233756326 818698881 /nfs/dbraw/zinc/69/88/81/818698881.db2.gz ZCVPKGLZXJIMAD-AWEZNQCLSA-N 1 1 267.263 3.117 20 30 CGEDMO C#CCCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CCCC(C)C ZINC001233762806 818700875 /nfs/dbraw/zinc/70/08/75/818700875.db2.gz WBABYOZJHIMIHD-KRWDZBQOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)CCCC ZINC001234049363 818768281 /nfs/dbraw/zinc/76/82/81/818768281.db2.gz HCRWKFOVNJIPMX-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO CC#CC[C@@H](CC)Oc1cccc2c1CC[N@@H+](C)C2 ZINC001234422654 818851251 /nfs/dbraw/zinc/85/12/51/818851251.db2.gz ITFLBJKNLIXGFP-OAHLLOKOSA-N 1 1 257.377 3.245 20 30 CGEDMO C=CCC(CC=C)C(=O)N(C)C[C@@H]1CC[N@H+]1C[C@H](F)CC ZINC001234517222 818871648 /nfs/dbraw/zinc/87/16/48/818871648.db2.gz JTDIQKVJFLKQHJ-CVEARBPZSA-N 1 1 296.430 3.036 20 30 CGEDMO C=CCC(CC=C)C(=O)N(C)C[C@@H]1CC[N@@H+]1C[C@H](F)CC ZINC001234517222 818871654 /nfs/dbraw/zinc/87/16/54/818871654.db2.gz JTDIQKVJFLKQHJ-CVEARBPZSA-N 1 1 296.430 3.036 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235361954 819077798 /nfs/dbraw/zinc/07/77/98/819077798.db2.gz GHODINQNMZATQV-RTBURBONSA-N 1 1 284.447 3.206 20 30 CGEDMO C=CCCC(=O)NCCC[N@H+](C)Cc1ccc(F)cc1C ZINC001235451227 819102256 /nfs/dbraw/zinc/10/22/56/819102256.db2.gz DXZHIGIXFHICJD-UHFFFAOYSA-N 1 1 292.398 3.038 20 30 CGEDMO N#CCc1ccccc1C[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC001235522458 819114446 /nfs/dbraw/zinc/11/44/46/819114446.db2.gz GQFNUCIEQFJWCD-IBGZPJMESA-N 1 1 292.382 3.326 20 30 CGEDMO N#CCc1ccccc1C[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC001235522458 819114448 /nfs/dbraw/zinc/11/44/48/819114448.db2.gz GQFNUCIEQFJWCD-IBGZPJMESA-N 1 1 292.382 3.326 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1nc2cc(F)ccc2[nH]1 ZINC001235695566 819145417 /nfs/dbraw/zinc/14/54/17/819145417.db2.gz PRULUIZSRQAKBE-UHFFFAOYSA-N 1 1 261.344 3.490 20 30 CGEDMO C=CCCCCCCCC[N@H+]1C[C@H]2CC[C@]2(N)C1 ZINC001235981086 819256558 /nfs/dbraw/zinc/25/65/58/819256558.db2.gz UKIBBLQVMZNSAA-CVEARBPZSA-N 1 1 250.430 3.326 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1C[C@H]2CC[C@]2(N)C1 ZINC001235981086 819256563 /nfs/dbraw/zinc/25/65/63/819256563.db2.gz UKIBBLQVMZNSAA-CVEARBPZSA-N 1 1 250.430 3.326 20 30 CGEDMO C=CCCCCCCCCN1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235981086 819256570 /nfs/dbraw/zinc/25/65/70/819256570.db2.gz UKIBBLQVMZNSAA-CVEARBPZSA-N 1 1 250.430 3.326 20 30 CGEDMO CCCCCCCCCC[N@@H+](C)CC1=CS[C@H](N)N1 ZINC001236422262 819469519 /nfs/dbraw/zinc/46/95/19/819469519.db2.gz DWBYUINWYGHBQH-OAHLLOKOSA-N 1 1 285.501 3.479 20 30 CGEDMO C=CCCCC[N@@H+](CC(C)(C)C)C1CCNCC1 ZINC001236457005 819485281 /nfs/dbraw/zinc/48/52/81/819485281.db2.gz IQKPWFFPCPCDFT-UHFFFAOYSA-N 1 1 252.446 3.443 20 30 CGEDMO C=CCCCC[N@H+](CC(C)(C)C)C1CCNCC1 ZINC001236457005 819485283 /nfs/dbraw/zinc/48/52/83/819485283.db2.gz IQKPWFFPCPCDFT-UHFFFAOYSA-N 1 1 252.446 3.443 20 30 CGEDMO C#CCCCN(Cc1cc(C)cc(F)c1)C1CC[NH2+]CC1 ZINC001236481068 819496503 /nfs/dbraw/zinc/49/65/03/819496503.db2.gz OEEWPHOSKDNLRY-UHFFFAOYSA-N 1 1 288.410 3.102 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC001236757119 819590040 /nfs/dbraw/zinc/59/00/40/819590040.db2.gz GAAJHVTVQYGBAN-UHFFFAOYSA-N 1 1 279.380 3.198 20 30 CGEDMO C=CCNCC[N@@H+]1CCC[C@H](CCc2ccccc2)C1 ZINC001236951643 819638280 /nfs/dbraw/zinc/63/82/80/819638280.db2.gz YSTYFQJFKLXCTO-GOSISDBHSA-N 1 1 272.436 3.107 20 30 CGEDMO C=CCNCC[N@H+]1CCC[C@H](CCc2ccccc2)C1 ZINC001236951643 819638281 /nfs/dbraw/zinc/63/82/81/819638281.db2.gz YSTYFQJFKLXCTO-GOSISDBHSA-N 1 1 272.436 3.107 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](Cc2cc(O)cc3ccccc32)C1 ZINC001237070366 819658689 /nfs/dbraw/zinc/65/86/89/819658689.db2.gz DRJGSOSDCDXLPM-QGZVFWFLSA-N 1 1 266.344 3.281 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](Cc2cc(O)cc3ccccc32)C1 ZINC001237070366 819658691 /nfs/dbraw/zinc/65/86/91/819658691.db2.gz DRJGSOSDCDXLPM-QGZVFWFLSA-N 1 1 266.344 3.281 20 30 CGEDMO C[C@H]1C[N@H+](Cc2ccnc(C#N)c2)Cc2ccccc21 ZINC001237459830 819755117 /nfs/dbraw/zinc/75/51/17/819755117.db2.gz WPOLKAXKCWZMOZ-ZDUSSCGKSA-N 1 1 263.344 3.073 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccnc(C#N)c2)Cc2ccccc21 ZINC001237459830 819755120 /nfs/dbraw/zinc/75/51/20/819755120.db2.gz WPOLKAXKCWZMOZ-ZDUSSCGKSA-N 1 1 263.344 3.073 20 30 CGEDMO CC1(C#N)CC[NH+](Cc2c(Cl)[nH]c3cnccc32)CC1 ZINC001237460412 819755522 /nfs/dbraw/zinc/75/55/22/819755522.db2.gz IDUDXWBCOPJYSF-UHFFFAOYSA-N 1 1 288.782 3.342 20 30 CGEDMO Cn1cc(C[N@H+]2CCCC[C@@H](F)C2)c2cc(C#N)ccc21 ZINC001237463872 819757098 /nfs/dbraw/zinc/75/70/98/819757098.db2.gz BIEUBBBKZLFPHE-OAHLLOKOSA-N 1 1 285.366 3.374 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2cn(C)c3ccc(C#N)cc23)C1 ZINC001237466290 819757237 /nfs/dbraw/zinc/75/72/37/819757237.db2.gz LZMNLVKIHMQYDI-ZDUSSCGKSA-N 1 1 267.376 3.282 20 30 CGEDMO C[N@@H+](Cc1ccnc(C#N)c1)Cc1cccc2cccnc21 ZINC001237469693 819758694 /nfs/dbraw/zinc/75/86/94/819758694.db2.gz FDUADFGIGCRKSY-UHFFFAOYSA-N 1 1 288.354 3.133 20 30 CGEDMO Cn1cc(C[N@@H+](C)C[C@H]2CCCCO2)c2cc(C#N)ccc21 ZINC001237470797 819759126 /nfs/dbraw/zinc/75/91/26/819759126.db2.gz JNVRSSJISWOGGA-MRXNPFEDSA-N 1 1 297.402 3.051 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2cn(C)c3ccc(C#N)cc23)[C@H](C)C1 ZINC001237471890 819759377 /nfs/dbraw/zinc/75/93/77/819759377.db2.gz JTIIEAIATNTETC-CZUORRHYSA-N 1 1 297.402 3.049 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)c(F)cc1F ZINC001237527977 819772161 /nfs/dbraw/zinc/77/21/61/819772161.db2.gz NIBKNHMGWVFNGG-NWDGAFQWSA-N 1 1 276.330 3.458 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1ccc2ncnc(Cl)c2c1 ZINC001237583671 819782465 /nfs/dbraw/zinc/78/24/65/819782465.db2.gz DAGXJAOPXNQOAB-UHFFFAOYSA-N 1 1 288.782 3.409 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1ccc2ncnc(Cl)c2c1 ZINC001237583671 819782468 /nfs/dbraw/zinc/78/24/68/819782468.db2.gz DAGXJAOPXNQOAB-UHFFFAOYSA-N 1 1 288.782 3.409 20 30 CGEDMO C[N@H+](Cc1cn2cc(C#N)ccc2n1)CC1CCCCC1 ZINC001237606358 819785976 /nfs/dbraw/zinc/78/59/76/819785976.db2.gz LABIBANVRLEUAU-UHFFFAOYSA-N 1 1 282.391 3.218 20 30 CGEDMO N#Cc1ccc2nc(C[N@H+]3CCC[C@H]4CCCC[C@@H]43)cn2c1 ZINC001237615544 819786468 /nfs/dbraw/zinc/78/64/68/819786468.db2.gz XAFFWKXLFFSIHY-WBVHZDCISA-N 1 1 294.402 3.361 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)c(Cl)cc1[O-] ZINC001237950207 819891358 /nfs/dbraw/zinc/89/13/58/819891358.db2.gz QWRUHZLXSLMZJL-WLLOZRIZSA-N 1 1 294.757 3.451 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)c(Cl)cc1O ZINC001237950207 819891367 /nfs/dbraw/zinc/89/13/67/819891367.db2.gz QWRUHZLXSLMZJL-WLLOZRIZSA-N 1 1 294.757 3.451 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)c(Cl)cc1O ZINC001237950207 819891379 /nfs/dbraw/zinc/89/13/79/819891379.db2.gz QWRUHZLXSLMZJL-WLLOZRIZSA-N 1 1 294.757 3.451 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(C)c(OCC)c2)C1 ZINC001238069343 819922468 /nfs/dbraw/zinc/92/24/68/819922468.db2.gz CJYOKZZUUATYBR-HNNXBMFYSA-N 1 1 257.377 3.239 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1Cl)C1CC(F)(F)C1 ZINC001238080316 819926482 /nfs/dbraw/zinc/92/64/82/819926482.db2.gz OIHYFOKWOVMBML-UHFFFAOYSA-N 1 1 270.710 3.441 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1Cl)C1CC(F)(F)C1 ZINC001238080316 819926487 /nfs/dbraw/zinc/92/64/87/819926487.db2.gz OIHYFOKWOVMBML-UHFFFAOYSA-N 1 1 270.710 3.441 20 30 CGEDMO N#Cc1cc(C[N@@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)ccc1Cl ZINC001238195459 819952277 /nfs/dbraw/zinc/95/22/77/819952277.db2.gz HHYZTGSHOODDJC-OCCSQVGLSA-N 1 1 288.778 3.013 20 30 CGEDMO C#CC[N@H+](C)Cc1cc(OCC)cc(C(F)(F)F)c1 ZINC001238492091 820024005 /nfs/dbraw/zinc/02/40/05/820024005.db2.gz KMEBSLKDQJVSCA-UHFFFAOYSA-N 1 1 271.282 3.169 20 30 CGEDMO CCc1cc(C[N@H+]2CC[C@@H](COCC3CC3)C2)ccc1C#N ZINC001238770167 820113691 /nfs/dbraw/zinc/11/36/91/820113691.db2.gz YSVVHLKJISCWAC-QGZVFWFLSA-N 1 1 298.430 3.369 20 30 CGEDMO CCc1cc(C[N@H+]2CCC3(CCC3)C2)ccc1C#N ZINC001238777298 820114350 /nfs/dbraw/zinc/11/43/50/820114350.db2.gz DCOSUPCZYHYANY-UHFFFAOYSA-N 1 1 254.377 3.497 20 30 CGEDMO CCc1cc(C[N@H+]2CC[C@]3(CC3(F)F)C2)ccc1C#N ZINC001238779017 820116428 /nfs/dbraw/zinc/11/64/28/820116428.db2.gz SLKVFERRYXOTLU-HNNXBMFYSA-N 1 1 276.330 3.352 20 30 CGEDMO C[N@H+]1CCc2ccc(-c3ccc(OCC#N)cc3)cc2C1 ZINC001243594856 823460855 /nfs/dbraw/zinc/46/08/55/823460855.db2.gz ITNDRMOROASAAU-UHFFFAOYSA-N 1 1 278.355 3.244 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1-c1ccc2c(C#N)c[nH]c2c1 ZINC001241243715 821664593 /nfs/dbraw/zinc/66/45/93/821664593.db2.gz YGRXHTHNSNHEAJ-UHFFFAOYSA-N 1 1 276.343 3.476 20 30 CGEDMO Cc1cc(-c2c[nH+]c(N(C)C)cc2C)ccc1CC#N ZINC001241248590 821669566 /nfs/dbraw/zinc/66/95/66/821669566.db2.gz RRBBRYFKDMNFMX-UHFFFAOYSA-N 1 1 265.360 3.498 20 30 CGEDMO C=CCOCc1cccc(-c2c[nH+]c(N)cc2C)c1 ZINC001242095192 822348861 /nfs/dbraw/zinc/34/88/61/822348861.db2.gz AOUZYGKVJZXNIG-UHFFFAOYSA-N 1 1 254.333 3.342 20 30 CGEDMO Cc1[nH+]ccn1-c1cncc(-c2cc(Cl)cc(C#N)c2)n1 ZINC001242569175 823038017 /nfs/dbraw/zinc/03/80/17/823038017.db2.gz ZBSNJWGKYNYQLF-UHFFFAOYSA-N 1 1 295.733 3.163 20 30 CGEDMO C[N@H+]1CCc2c(F)cc(-c3ccc(F)cc3C#N)cc2C1 ZINC001242583692 823044787 /nfs/dbraw/zinc/04/47/87/823044787.db2.gz GESRCNGVTSHWSM-UHFFFAOYSA-N 1 1 284.309 3.491 20 30 CGEDMO Cc1ccc(C#N)nc1N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001339657939 936381802 /nfs/dbraw/zinc/38/18/02/936381802.db2.gz BMJCDRFFOGXVIO-HUUCEWRRSA-N 1 1 298.434 3.327 20 30 CGEDMO C=C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC001340246910 936400921 /nfs/dbraw/zinc/40/09/21/936400921.db2.gz XJZSAPYBBGKZCB-RDJZCZTQSA-N 1 1 286.419 3.040 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001340616694 936409264 /nfs/dbraw/zinc/40/92/64/936409264.db2.gz SQCSRQSPZMKXIA-SJLPKXTDSA-N 1 1 284.403 3.176 20 30 CGEDMO C[N@H+](Cc1cc(Cl)cc(C#N)c1)C[C@@H]1CCCC[C@@H]1O ZINC001340762305 936413605 /nfs/dbraw/zinc/41/36/05/936413605.db2.gz RTDUNXHCMUSXNC-HOCLYGCPSA-N 1 1 292.810 3.195 20 30 CGEDMO C#CC[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)CC1CC1 ZINC001341077366 936427397 /nfs/dbraw/zinc/42/73/97/936427397.db2.gz PPTRYCYDPVYJDQ-UHFFFAOYSA-N 1 1 287.403 3.241 20 30 CGEDMO C#CCCCC(=O)NCCC[N@H+](C)CC1CCC(C)CC1 ZINC001479766430 936527397 /nfs/dbraw/zinc/52/73/97/936527397.db2.gz ACMUMQUJXIWEGI-UHFFFAOYSA-N 1 1 292.467 3.054 20 30 CGEDMO CCC[N@H+]1CCCC[C@H]1C(=O)O[C@H]1CC[C@@](C)(C#N)CC1 ZINC001344823438 936544636 /nfs/dbraw/zinc/54/46/36/936544636.db2.gz JNKKFKFWHXUELE-YQQAZPJKSA-N 1 1 292.423 3.267 20 30 CGEDMO C=C1CCC(C(=O)NCCC[N@H+](CC)CC[C@H](C)F)CC1 ZINC001479853733 936823611 /nfs/dbraw/zinc/82/36/11/936823611.db2.gz USGQADFLWJTKFU-HNNXBMFYSA-N 1 1 298.446 3.309 20 30 CGEDMO C=C(CC(C)C)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC001346483430 936850202 /nfs/dbraw/zinc/85/02/02/936850202.db2.gz FHFNEBGMVCWHAT-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC1(NC(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[N@@H+]3C2)CCCC1 ZINC001350090690 936978119 /nfs/dbraw/zinc/97/81/19/936978119.db2.gz CJIGLTVAGUEFGB-ARFHVFGLSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC1(CC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CCCCC1 ZINC001351542557 937019653 /nfs/dbraw/zinc/01/96/53/937019653.db2.gz ILDOPIUQCVBNMD-MRXNPFEDSA-N 1 1 290.451 3.210 20 30 CGEDMO C=C(C)CCC(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001353824756 937077693 /nfs/dbraw/zinc/07/76/93/937077693.db2.gz RCLRGOBBRKXAGW-UHFFFAOYSA-N 1 1 273.380 3.367 20 30 CGEDMO C=CCCCC(=O)NCC[N@H+](C)Cc1ccc(Cl)cc1 ZINC001480905812 926769116 /nfs/dbraw/zinc/76/91/16/926769116.db2.gz BMTCPPALIIAYII-UHFFFAOYSA-N 1 1 294.826 3.244 20 30 CGEDMO N#Cc1cc(F)cc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c1 ZINC000227418357 926845970 /nfs/dbraw/zinc/84/59/70/926845970.db2.gz JVPZQTUAGLUWJV-GOEBONIOSA-N 1 1 258.340 3.462 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001480977812 926851782 /nfs/dbraw/zinc/85/17/82/926851782.db2.gz KMVBPDVYPMOUQO-MRXNPFEDSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)C[C@@H]1CC[C@H](C)C1 ZINC001480994067 926854375 /nfs/dbraw/zinc/85/43/75/926854375.db2.gz WFVVPSJMJCIAQN-JKSUJKDBSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@@H+](CCC)CCNC(=O)c1sc(C)cc1C ZINC001481138922 926894811 /nfs/dbraw/zinc/89/48/11/926894811.db2.gz NRDSFSWYLUZBOX-UHFFFAOYSA-N 1 1 294.464 3.383 20 30 CGEDMO C=C1CCC(C(=O)NCC[N@@H+](C[C@H](F)CC)C2CC2)CC1 ZINC001481184485 926903227 /nfs/dbraw/zinc/90/32/27/926903227.db2.gz IPUVMBFZIHSRMN-OAHLLOKOSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C1CCC(C(=O)NCC[N@H+](C[C@H](F)CC)C2CC2)CC1 ZINC001481184485 926903243 /nfs/dbraw/zinc/90/32/43/926903243.db2.gz IPUVMBFZIHSRMN-OAHLLOKOSA-N 1 1 296.430 3.062 20 30 CGEDMO N#CC1(C[N@@H+]2CCC[C@@]3(C=Cc4ccccc4O3)C2)CC1 ZINC001355036381 937120227 /nfs/dbraw/zinc/12/02/27/937120227.db2.gz SETDLMLQWRRQML-GOSISDBHSA-N 1 1 280.371 3.231 20 30 CGEDMO N#CC1(C[N@H+]2CCC[C@@]3(C=Cc4ccccc4O3)C2)CC1 ZINC001355036381 937120229 /nfs/dbraw/zinc/12/02/29/937120229.db2.gz SETDLMLQWRRQML-GOSISDBHSA-N 1 1 280.371 3.231 20 30 CGEDMO C=CC1(CC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC)CCCCC1 ZINC001481384080 926973663 /nfs/dbraw/zinc/97/36/63/926973663.db2.gz QTZDMBHNVDCQFN-IYBDPMFKSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C\Cl ZINC001481384167 926973742 /nfs/dbraw/zinc/97/37/42/926973742.db2.gz DAMYWIYFWIGWBR-BSCGZSSTSA-N 1 1 296.842 3.016 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C\Cl ZINC001481384167 926973752 /nfs/dbraw/zinc/97/37/52/926973752.db2.gz DAMYWIYFWIGWBR-BSCGZSSTSA-N 1 1 296.842 3.016 20 30 CGEDMO C=C(C)CCC(=O)NCC[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001481432927 926984532 /nfs/dbraw/zinc/98/45/32/926984532.db2.gz VOWWYRPTKHKEOL-KRWDZBQOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)C(CC)CC)C1 ZINC001481523217 927013583 /nfs/dbraw/zinc/01/35/83/927013583.db2.gz YIRWRJNKNISMRR-GDBMZVCRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2ccsc2C)C1 ZINC001481534403 927018725 /nfs/dbraw/zinc/01/87/25/927018725.db2.gz PODAGHBYKOIIIJ-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C#CCCCC(=O)N[C@H]1CCC[N@H+](C[C@H](C)CC(C)C)C1 ZINC001481534107 927018880 /nfs/dbraw/zinc/01/88/80/927018880.db2.gz XXZQBKGVGNWTRB-SJORKVTESA-N 1 1 292.467 3.053 20 30 CGEDMO C[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)[C@H](C)CCO1 ZINC001473892874 937827971 /nfs/dbraw/zinc/82/79/71/937827971.db2.gz HGNMUYLFJXXZTO-HUUCEWRRSA-N 1 1 264.413 3.350 20 30 CGEDMO C=CCC(CC=C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](C)CC ZINC001481670828 927050288 /nfs/dbraw/zinc/05/02/88/927050288.db2.gz KUFLKAQOOHUPNJ-PVAVHDDUSA-N 1 1 290.451 3.086 20 30 CGEDMO C=CC(C)(C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC001481670866 927051023 /nfs/dbraw/zinc/05/10/23/927051023.db2.gz MBDZIEHMWXOQKM-IRXDYDNUSA-N 1 1 298.430 3.074 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC001481689015 927060127 /nfs/dbraw/zinc/06/01/27/927060127.db2.gz MFOWYZDXLUTUEB-HOTGVXAUSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CC[C@H](C(=O)N[C@H]1CC[N@H+](CC(=C)C)C1)c1ccccc1 ZINC001481696364 927062870 /nfs/dbraw/zinc/06/28/70/927062870.db2.gz FRVIXXPHDUFITR-ROUUACIJSA-N 1 1 298.430 3.113 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC001481700014 927065619 /nfs/dbraw/zinc/06/56/19/927065619.db2.gz ZUDVCLKZBPHTQO-AEFFLSMTSA-N 1 1 298.430 3.221 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C2CC(C)(C)C2)C1 ZINC001481724242 927076095 /nfs/dbraw/zinc/07/60/95/927076095.db2.gz IVXWDDVEVJVPAE-GDBMZVCRSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3(CCC)CC3)CC[C@H]21 ZINC001496861530 927462377 /nfs/dbraw/zinc/46/23/77/927462377.db2.gz HCTOOILEAXKRJS-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)C(C)(C)C(C)C ZINC001483343051 927486351 /nfs/dbraw/zinc/48/63/51/927486351.db2.gz SWBJODMPZANMCU-AWEZNQCLSA-N 1 1 268.445 3.071 20 30 CGEDMO C/C=C(\C)C(=O)NC[C@@H]1CC[N@@H+]1CCCCCCC ZINC001483641705 927558295 /nfs/dbraw/zinc/55/82/95/927558295.db2.gz PJWQZQOBBZCWTL-JVDKPVQESA-N 1 1 266.429 3.114 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)C1(CC=C)CCC1 ZINC001483676330 927566792 /nfs/dbraw/zinc/56/67/92/927566792.db2.gz BUAWTFUEMVZXRF-HZPDHXFCSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@]2(CCN(C(=O)C(C)C)C2)C1 ZINC001483827675 927630977 /nfs/dbraw/zinc/63/09/77/927630977.db2.gz AGBOOIMVMCJCNH-WMZOPIPTSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)CCC)C2)C1 ZINC001483837443 927635641 /nfs/dbraw/zinc/63/56/41/927635641.db2.gz HJBVDSXLXSGJTB-DOTOQJQBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@](C)(NC(=O)c2ccccc2)C1 ZINC001484026340 927663907 /nfs/dbraw/zinc/66/39/07/927663907.db2.gz DHNCSPUHJCXFRO-YJBOKZPZSA-N 1 1 286.419 3.236 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@](C)(NC(=O)C2CCCCC2)C1 ZINC001484026851 927664263 /nfs/dbraw/zinc/66/42/63/927664263.db2.gz HGLVEBYRCGPYLS-KRWDZBQOSA-N 1 1 278.440 3.114 20 30 CGEDMO C#CCCCCC(=O)NC[C@@]1(C)CCC[N@H+](CCCC)C1 ZINC001484158301 927683761 /nfs/dbraw/zinc/68/37/61/927683761.db2.gz YYYWIIIYCDZYDL-GOSISDBHSA-N 1 1 292.467 3.198 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)C(C)(C)CC)C1 ZINC001484168038 927687156 /nfs/dbraw/zinc/68/71/56/927687156.db2.gz VBLCRDNBJKZNNX-QGZVFWFLSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C=C(CC)CC ZINC001484455711 927705856 /nfs/dbraw/zinc/70/58/56/927705856.db2.gz AYGOYYVGZPLJJO-IAGOWNOFSA-N 1 1 290.451 3.374 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CCC[N@H+](CCCC)CC1 ZINC001484714647 927738841 /nfs/dbraw/zinc/73/88/41/927738841.db2.gz FJENMWRCJZTMRY-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)/C(C)=C\CC)CC1 ZINC001484707951 927741664 /nfs/dbraw/zinc/74/16/64/927741664.db2.gz IVXWEMHFUUICAE-ZDWRTJATSA-N 1 1 284.831 3.066 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC001484723098 927741944 /nfs/dbraw/zinc/74/19/44/927741944.db2.gz LONNLEULPRMCKI-SJLPKXTDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CCC[N@H+](CC(=C)C)CC1 ZINC001484722290 927744035 /nfs/dbraw/zinc/74/40/35/927744035.db2.gz UDTHEONEHXLACX-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)CCCCC)CC1 ZINC001484728729 927746094 /nfs/dbraw/zinc/74/60/94/927746094.db2.gz UZSMJKXPHMKSFE-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C[C@H](C(=O)N(C)CCC[N@H+](C)CCC)c1ccccc1 ZINC001484769326 927754559 /nfs/dbraw/zinc/75/45/59/927754559.db2.gz SGEDBFQGLIVHMS-KRWDZBQOSA-N 1 1 288.435 3.147 20 30 CGEDMO C=CCCCC(=O)NC[C@@H]1Cc2ccccc2C[N@@H+]1CC=C ZINC001484825124 927761009 /nfs/dbraw/zinc/76/10/09/927761009.db2.gz SYNLUPBDPXPUFR-SFHVURJKSA-N 1 1 298.430 3.072 20 30 CGEDMO C=CCCCC(=O)NC[C@@H]1Cc2ccccc2C[N@H+]1CC=C ZINC001484825124 927761020 /nfs/dbraw/zinc/76/10/20/927761020.db2.gz SYNLUPBDPXPUFR-SFHVURJKSA-N 1 1 298.430 3.072 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)/C(C)=C\CC)C2 ZINC001484826266 927761410 /nfs/dbraw/zinc/76/14/10/927761410.db2.gz SWYUSEJPHGIWOL-BHCQIWIZSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)C(=C)C ZINC001485065346 927796964 /nfs/dbraw/zinc/79/69/64/927796964.db2.gz JRQCSYNDLBAOCY-INIZCTEOSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)C1(CCF)CC1 ZINC001485059611 927798899 /nfs/dbraw/zinc/79/88/99/927798899.db2.gz AKMDIRXBCJRNOA-HNNXBMFYSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](CC)CC(C)C ZINC001485071922 927801622 /nfs/dbraw/zinc/80/16/22/927801622.db2.gz ABHHAFSKEPGTIJ-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)c1cccc2cc[nH]c21 ZINC001485354373 927853923 /nfs/dbraw/zinc/85/39/23/927853923.db2.gz VXTIOEIHTGJIEX-AWEZNQCLSA-N 1 1 299.418 3.184 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@H+]2CCC(C)=C(C)C2)cc1 ZINC001473431406 937199193 /nfs/dbraw/zinc/19/91/93/937199193.db2.gz CXRALIWBNZLINJ-UHFFFAOYSA-N 1 1 282.387 3.039 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC=C(C)C)CC1(C)C ZINC001485574608 927893266 /nfs/dbraw/zinc/89/32/66/927893266.db2.gz VCWJVJDWZBRQRY-OAHLLOKOSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)CC[N@H+](C)C1CCN(C(=O)CCCC#CC)CC1 ZINC001485762129 927916229 /nfs/dbraw/zinc/91/62/29/927916229.db2.gz MGZSNXSLMVPBNQ-UHFFFAOYSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)C=C(CC)CC)CCC[C@@H]12 ZINC001486149515 927989007 /nfs/dbraw/zinc/98/90/07/927989007.db2.gz GZNWLMXUHCQJKK-SJLPKXTDSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)/C=C\c1ccco1)C(C)C ZINC001486361971 928008844 /nfs/dbraw/zinc/00/88/44/928008844.db2.gz ZKMXOKSGAFAYHT-HJWRWDBZSA-N 1 1 290.407 3.038 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)C1C(C)(C)C1(C)C)C(C)C ZINC001486363535 928008998 /nfs/dbraw/zinc/00/89/98/928008998.db2.gz AVKMOGRDWZMMRD-UHFFFAOYSA-N 1 1 294.483 3.414 20 30 CGEDMO C#CCC[N@H+](C)CCN(C(=O)CC1(C)CCCC1)C(C)C ZINC001486367996 928010134 /nfs/dbraw/zinc/01/01/34/928010134.db2.gz QQGATPARLWZBSQ-UHFFFAOYSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)[C@H]1CCCC12CC2)C(C)C ZINC001486369264 928011600 /nfs/dbraw/zinc/01/16/00/928011600.db2.gz JMARBOQWKZZZOX-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)[C@@H](C)c1ccccc1)C(C)C ZINC001486378976 928015172 /nfs/dbraw/zinc/01/51/72/928015172.db2.gz SLFRSXWMUCFQBP-INIZCTEOSA-N 1 1 288.435 3.145 20 30 CGEDMO COc1ccc(NC23CCC(C#N)(CC2)CC3)[nH+]c1C ZINC001169752293 928099057 /nfs/dbraw/zinc/09/90/57/928099057.db2.gz SPQHZKSVVSCUAK-UHFFFAOYSA-N 1 1 271.364 3.427 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC[N@@H+](C)CC12CCCCC2 ZINC001360896785 937224619 /nfs/dbraw/zinc/22/46/19/937224619.db2.gz QASGFIZOXLCYSV-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC001171204219 928200711 /nfs/dbraw/zinc/20/07/11/928200711.db2.gz UMQFWZRBQLQURZ-STQMWFEESA-N 1 1 278.346 3.466 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1CCC[N@@H+]1CCCCC ZINC001493121066 928274484 /nfs/dbraw/zinc/27/44/84/928274484.db2.gz ACPJBVUPBBITNS-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H](C)CCC=C(C)C ZINC001488663268 928292546 /nfs/dbraw/zinc/29/25/46/928292546.db2.gz NQGDVAAEHVVOTD-SJORKVTESA-N 1 1 292.467 3.478 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C(CC)(CC)CC)[C@H]1CC ZINC001489136648 928316658 /nfs/dbraw/zinc/31/66/58/928316658.db2.gz WFSSILDWKCNROR-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@](C)(F)CCCC)[C@H]1C ZINC001489275481 928325279 /nfs/dbraw/zinc/32/52/79/928325279.db2.gz QRSCXWVGYBOYAB-VYDXJSESSA-N 1 1 298.446 3.450 20 30 CGEDMO C=C1CC(C)(C(=O)NCCC[N@H+](CC)CCC(C)C)C1 ZINC001490345442 928344138 /nfs/dbraw/zinc/34/41/38/928344138.db2.gz PKNDORFLAUJPHB-UHFFFAOYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)C2(CC)CCC2)C1 ZINC001490768577 928386742 /nfs/dbraw/zinc/38/67/42/928386742.db2.gz QCVPDYVIQUZSSX-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)C[C@H]1CCC[C@H]1C ZINC001319998826 928487784 /nfs/dbraw/zinc/48/77/84/928487784.db2.gz DHOIRMZOXFOSHE-HZPDHXFCSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)CC(C)(C)CC)C1 ZINC001491109046 928833976 /nfs/dbraw/zinc/83/39/76/928833976.db2.gz XUULUBSIZSKTPG-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](CC)CC(C)C)C1 ZINC001491125960 928834431 /nfs/dbraw/zinc/83/44/31/928834431.db2.gz RTMSUWTXHNEFSF-HZPDHXFCSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(CC(C)C)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001441488635 937338595 /nfs/dbraw/zinc/33/85/95/937338595.db2.gz XTSBVNRDQVOCIJ-IYBDPMFKSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC1(CC(=O)NCC[N@@H+]2CCC[C@H]2C)CCCCC1 ZINC001457759861 937445234 /nfs/dbraw/zinc/44/52/34/937445234.db2.gz GUWAGGKKXBYNDG-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO CCCCCCCCSCC[NH+]1CCOCC1 ZINC001458899678 937475846 /nfs/dbraw/zinc/47/58/46/937475846.db2.gz FPCBRTVRVYRELI-UHFFFAOYSA-N 1 1 259.459 3.412 20 30 CGEDMO CC(C)[C@H]1CCCCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC001459830949 937502166 /nfs/dbraw/zinc/50/21/66/937502166.db2.gz NXMJZSYLELCCTO-QZTJIDSGSA-N 1 1 286.419 3.492 20 30 CGEDMO C[C@@H]1CC[N@@H+](CCOc2ccccc2C#N)CC1(C)C ZINC001459922237 937506873 /nfs/dbraw/zinc/50/68/73/937506873.db2.gz HVNJHYKRUHNSDB-CQSZACIVSA-N 1 1 272.392 3.305 20 30 CGEDMO CC(C)(C)[C@H]1CCC[N@@H+](Cc2cc(C#N)ccn2)C1 ZINC001460018398 937511237 /nfs/dbraw/zinc/51/12/37/937511237.db2.gz CYNPBYNZZFUNPH-AWEZNQCLSA-N 1 1 257.381 3.211 20 30 CGEDMO C#CCC[N@H+]1CCc2c(ccc(OC)c2OC)[C@H]1CC ZINC001460344694 937527617 /nfs/dbraw/zinc/52/76/17/937527617.db2.gz QZXIZFATIRBXGK-OAHLLOKOSA-N 1 1 273.376 3.036 20 30 CGEDMO C=C(C)C[N@@H+](C1CCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001460356911 937528470 /nfs/dbraw/zinc/52/84/70/937528470.db2.gz ALRFARQGRRKKPV-UHFFFAOYSA-N 1 1 280.412 3.036 20 30 CGEDMO C=CC[N@H+](CC(=O)N(C)[C@H](C)CC(C)C)C(C)(C)C ZINC001460459616 937532134 /nfs/dbraw/zinc/53/21/34/937532134.db2.gz SBLGHJMDZZPOOT-CQSZACIVSA-N 1 1 268.445 3.166 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1ccc(C#N)c(F)c1 ZINC001460665035 937539010 /nfs/dbraw/zinc/53/90/10/937539010.db2.gz QDPQOZSKBLLGHG-UHFFFAOYSA-N 1 1 293.345 3.244 20 30 CGEDMO C#CC[N@@H+](Cc1cccc(OC(C)(C)C)n1)C(C)C ZINC001460818999 937546188 /nfs/dbraw/zinc/54/61/88/937546188.db2.gz SKJJVFTWRFNMCX-UHFFFAOYSA-N 1 1 260.381 3.103 20 30 CGEDMO C[C@@H]1CN([C@@H](C#N)c2ccccc2)CC[N@H+]1C1CCCC1 ZINC001460781058 937544830 /nfs/dbraw/zinc/54/48/30/937544830.db2.gz QKXAJTILLOLINZ-QAPCUYQASA-N 1 1 283.419 3.200 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2Cl)C1 ZINC001140809723 931964246 /nfs/dbraw/zinc/96/42/46/931964246.db2.gz DOYJPNDURJWEJK-LBPRGKRZSA-N 1 1 273.767 3.337 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2Cl)C1 ZINC001140809723 931964249 /nfs/dbraw/zinc/96/42/49/931964249.db2.gz DOYJPNDURJWEJK-LBPRGKRZSA-N 1 1 273.767 3.337 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001460913062 937552617 /nfs/dbraw/zinc/55/26/17/937552617.db2.gz RJEFOUKLXTWCOO-ZWKOTPCHSA-N 1 1 296.499 3.268 20 30 CGEDMO C#C[C@H]1CCCC[N@@H+]1CC[C@H](C)OCc1ccccc1 ZINC001460913742 937552635 /nfs/dbraw/zinc/55/26/35/937552635.db2.gz BJZVDZMNDDURDZ-WMZOPIPTSA-N 1 1 271.404 3.470 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@](C)(CC)CCCCC ZINC001157172864 931978942 /nfs/dbraw/zinc/97/89/42/931978942.db2.gz YTEHQPSYMAUCGK-AEFFLSMTSA-N 1 1 294.483 3.443 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C1CC2(CC2)C1 ZINC001158461230 931980876 /nfs/dbraw/zinc/98/08/76/931980876.db2.gz NPOHUGBXMUOJQQ-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO COc1cc2cc[nH+]c(NCCCCC#N)c2cc1F ZINC000288821863 932006343 /nfs/dbraw/zinc/00/63/43/932006343.db2.gz IEWPGEUVUSHPMH-UHFFFAOYSA-N 1 1 273.311 3.488 20 30 CGEDMO C=C(C)C[C@@H](Oc1ccc(C(=[NH2+])NO)c(F)c1)C(=C)C ZINC001229081153 932089759 /nfs/dbraw/zinc/08/97/59/932089759.db2.gz ORVBZZPFQIXRED-CQSZACIVSA-N 1 1 278.327 3.420 20 30 CGEDMO C#C[C@H](CCCCC)Oc1ccc(C(=[NH2+])NO)c(F)c1 ZINC001229083295 932091157 /nfs/dbraw/zinc/09/11/57/932091157.db2.gz PPFXCIKPVOVQGU-LLVKDONJSA-N 1 1 278.327 3.091 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CNCC1(C[NH+](C)C)CCCC1 ZINC001461423995 937580293 /nfs/dbraw/zinc/58/02/93/937580293.db2.gz MCDKGMPTGPIGLM-UHFFFAOYSA-N 1 1 299.462 3.387 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[NH2+]CC1(CN(C)C)CCCC1 ZINC001461423995 937580296 /nfs/dbraw/zinc/58/02/96/937580296.db2.gz MCDKGMPTGPIGLM-UHFFFAOYSA-N 1 1 299.462 3.387 20 30 CGEDMO N#Cc1csc(C[NH2+]Cc2cc(O)ccc2Cl)c1 ZINC001461718734 937593726 /nfs/dbraw/zinc/59/37/26/937593726.db2.gz HIRIOVPNRFMIPQ-UHFFFAOYSA-N 1 1 278.764 3.269 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc3c(c2)OC(F)(F)O3)CCCC1 ZINC001461812323 937598733 /nfs/dbraw/zinc/59/87/33/937598733.db2.gz QBLLZRYKQZYZFV-UHFFFAOYSA-N 1 1 294.301 3.182 20 30 CGEDMO C=CC[N@@H+](CC(=O)OCC)C[C@H]1CCCC(C)(C)C1 ZINC001461846057 937600985 /nfs/dbraw/zinc/60/09/85/937600985.db2.gz YTZWKRHWHMIOOL-AWEZNQCLSA-N 1 1 267.413 3.254 20 30 CGEDMO C=CC[N@H+](CC(=O)OCC)C[C@H]1CCCC(C)(C)C1 ZINC001461846057 937600987 /nfs/dbraw/zinc/60/09/87/937600987.db2.gz YTZWKRHWHMIOOL-AWEZNQCLSA-N 1 1 267.413 3.254 20 30 CGEDMO C/C(=N\O)c1ccccc1O[C@H]1CCC[N@H+](C(C)C)C1 ZINC001229736985 932477606 /nfs/dbraw/zinc/47/76/06/932477606.db2.gz NAIPGVICVSRWRO-DLRWLJPMSA-N 1 1 276.380 3.136 20 30 CGEDMO C=CCCC(=O)N1CCC([C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001230537985 932585506 /nfs/dbraw/zinc/58/55/06/932585506.db2.gz NJHRGASTIKYOTO-QGZVFWFLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCCC ZINC001230776495 932622932 /nfs/dbraw/zinc/62/29/32/932622932.db2.gz SWSJWYRITKHZMA-JKSUJKDBSA-N 1 1 280.456 3.454 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](F)C(F)(F)CC2)s1 ZINC001232842209 932682956 /nfs/dbraw/zinc/68/29/56/932682956.db2.gz OHIJUWUTNUBNBI-LLVKDONJSA-N 1 1 274.311 3.189 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](F)C(F)(F)CC2)s1 ZINC001232842209 932682960 /nfs/dbraw/zinc/68/29/60/932682960.db2.gz OHIJUWUTNUBNBI-LLVKDONJSA-N 1 1 274.311 3.189 20 30 CGEDMO C[C@]1(F)CCCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001232842242 932683072 /nfs/dbraw/zinc/68/30/72/932683072.db2.gz QEUOOIPWHUJVDC-ZDUSSCGKSA-N 1 1 252.358 3.334 20 30 CGEDMO C[C@]1(F)CCCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001232842242 932683077 /nfs/dbraw/zinc/68/30/77/932683077.db2.gz QEUOOIPWHUJVDC-ZDUSSCGKSA-N 1 1 252.358 3.334 20 30 CGEDMO C#C[C@@H](N[C@H]1CCC[N@H+](CC)C1)c1ccc(Cl)cc1F ZINC001462224898 937626096 /nfs/dbraw/zinc/62/60/96/937626096.db2.gz JQWKXZZLJCYRST-XJKSGUPXSA-N 1 1 294.801 3.227 20 30 CGEDMO C=C1CC(C)(C(=O)N(C)C[C@@H]2CC[N@@H+]2CCCCC)C1 ZINC001316601396 932745634 /nfs/dbraw/zinc/74/56/34/932745634.db2.gz CACZXNAKSYBNAP-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](C)C1CCCCC1 ZINC001316604069 932747272 /nfs/dbraw/zinc/74/72/72/932747272.db2.gz RNMLEOXTWQMRGA-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCNC(=O)C[C@H]1CCC[C@@H]1C ZINC001316826949 932761497 /nfs/dbraw/zinc/76/14/97/932761497.db2.gz VROZCELYVZQIHV-GXTWGEPZSA-N 1 1 286.847 3.003 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCNC(=O)C[C@H]1CCC[C@@H]1C ZINC001316826949 932761503 /nfs/dbraw/zinc/76/15/03/932761503.db2.gz VROZCELYVZQIHV-GXTWGEPZSA-N 1 1 286.847 3.003 20 30 CGEDMO C[N@H+](CC#Cc1ccccc1)[C@H](CO)c1ccc(Cl)cc1 ZINC001462264062 937628693 /nfs/dbraw/zinc/62/86/93/937628693.db2.gz IMCGFCGZWLHVOW-GOSISDBHSA-N 1 1 299.801 3.357 20 30 CGEDMO C[N@@H+](CC#Cc1ccccc1)[C@H](CO)c1ccc(Cl)cc1 ZINC001462264062 937628695 /nfs/dbraw/zinc/62/86/95/937628695.db2.gz IMCGFCGZWLHVOW-GOSISDBHSA-N 1 1 299.801 3.357 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCCN(C(=O)CCC)C1 ZINC001491903817 932795374 /nfs/dbraw/zinc/79/53/74/932795374.db2.gz GPIHUMLMBZXZKA-INIZCTEOSA-N 1 1 280.456 3.456 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)CSCCC)C1 ZINC001491910883 932797069 /nfs/dbraw/zinc/79/70/69/932797069.db2.gz KUHVDEVVXDWUOO-OAHLLOKOSA-N 1 1 298.496 3.019 20 30 CGEDMO CC#CC[N@@H+](C)CCNC(=O)c1ccc(C2CCCC2)cc1 ZINC001492342455 932816960 /nfs/dbraw/zinc/81/69/60/932816960.db2.gz OWZDNFDAJCPKAL-UHFFFAOYSA-N 1 1 298.430 3.029 20 30 CGEDMO C=C(C)C[N@@H+](C)CCNC(=O)c1ccc(-c2ccccc2)o1 ZINC001492426672 932817431 /nfs/dbraw/zinc/81/74/31/932817431.db2.gz YEGAZDGVHVFMLW-UHFFFAOYSA-N 1 1 298.386 3.184 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C(C)C)[C@H]1CC ZINC001316733798 932853812 /nfs/dbraw/zinc/85/38/12/932853812.db2.gz YNXGVDMUGBITLS-LSDHHAIUSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@H]([N@@H+](C)C/C=C\Cl)C1 ZINC001317377617 932860497 /nfs/dbraw/zinc/86/04/97/932860497.db2.gz UKTNRXNVPOWDJP-LEJCZOIISA-N 1 1 298.858 3.264 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001307663722 932982494 /nfs/dbraw/zinc/98/24/94/932982494.db2.gz NOTBVBRAJLKFHC-WMLDXEAASA-N 1 1 294.439 3.284 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC001307680859 932985175 /nfs/dbraw/zinc/98/51/75/932985175.db2.gz YBOKBOQMUHEVBQ-CVEARBPZSA-N 1 1 257.377 3.250 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC001307877126 933013194 /nfs/dbraw/zinc/01/31/94/933013194.db2.gz DRHQZTBFKIPGGT-CYBMUJFWSA-N 1 1 297.320 3.473 20 30 CGEDMO C#CCCCCCC[N@@H+]1CC[C@](OC)(C(F)(F)F)C1 ZINC001308033303 933037436 /nfs/dbraw/zinc/03/74/36/933037436.db2.gz ODXDMLPDWLVGON-CYBMUJFWSA-N 1 1 277.330 3.223 20 30 CGEDMO C[C@@H]1Cc2n[nH]cc2C[N@H+](CCCCC(C)(C)C#N)C1 ZINC001308076371 933044274 /nfs/dbraw/zinc/04/42/74/933044274.db2.gz BIXDIZKHZZDURG-CYBMUJFWSA-N 1 1 274.412 3.124 20 30 CGEDMO C#CC[N@H+](Cc1cc(Cl)ccc1OC)C(C)C ZINC001308096504 933048667 /nfs/dbraw/zinc/04/86/67/933048667.db2.gz MSMCZAURGWKMBD-UHFFFAOYSA-N 1 1 251.757 3.192 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCC(C)(C)[C@@H](c2ccccc2)C1 ZINC001308115116 933052356 /nfs/dbraw/zinc/05/23/56/933052356.db2.gz XXSRSTDXFMWDQP-DOTOQJQBSA-N 1 1 286.419 3.431 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@](CC)(C(=O)OC(C)(C)C)C1 ZINC001308120657 933052971 /nfs/dbraw/zinc/05/29/71/933052971.db2.gz HFBAPWKTFJUZCD-INIZCTEOSA-N 1 1 267.413 3.396 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1CCCC[C@H]1C ZINC001308137070 933055582 /nfs/dbraw/zinc/05/55/82/933055582.db2.gz NYEFQNVMNQQIEH-ZACQAIPSSA-N 1 1 292.467 3.454 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCCO2)s1 ZINC001308160985 933061055 /nfs/dbraw/zinc/06/10/55/933061055.db2.gz QSZRPIYLSAQWGF-CABCVRRESA-N 1 1 276.405 3.153 20 30 CGEDMO Oc1ccc2c(c1)CC[N@@H+](CC#Cc1cccc(Cl)c1)C2 ZINC001308171465 933065624 /nfs/dbraw/zinc/06/56/24/933065624.db2.gz STUBGUVMSVPCQE-UHFFFAOYSA-N 1 1 297.785 3.455 20 30 CGEDMO Oc1ccc2c(c1)CC[N@H+](CC#Cc1cccc(Cl)c1)C2 ZINC001308171465 933065625 /nfs/dbraw/zinc/06/56/25/933065625.db2.gz STUBGUVMSVPCQE-UHFFFAOYSA-N 1 1 297.785 3.455 20 30 CGEDMO CC(C)(C[N@H+]1CCC[C@@](C)(C#N)C1)Oc1ccccc1 ZINC001308634994 933146048 /nfs/dbraw/zinc/14/60/48/933146048.db2.gz LSGQQSCIDGWCGU-KRWDZBQOSA-N 1 1 272.392 3.470 20 30 CGEDMO C=C(C)[C@@H](N[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)c(F)c1 ZINC001308698206 933160287 /nfs/dbraw/zinc/16/02/87/933160287.db2.gz YTEOYXHGPLPRAD-CZUORRHYSA-N 1 1 280.362 3.266 20 30 CGEDMO C=C(C)[C@@H](N[C@@H]1CCC[N@H+](C)C1)c1ccc(F)c(F)c1 ZINC001308698206 933160295 /nfs/dbraw/zinc/16/02/95/933160295.db2.gz YTEOYXHGPLPRAD-CZUORRHYSA-N 1 1 280.362 3.266 20 30 CGEDMO C=CCC[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)C(=O)OCC ZINC001308769999 933173458 /nfs/dbraw/zinc/17/34/58/933173458.db2.gz PGKPGJKZHVSNRU-LXTVHRRPSA-N 1 1 265.397 3.053 20 30 CGEDMO CN(C)c1ccc(C#N)cc1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001308772236 933174193 /nfs/dbraw/zinc/17/41/93/933174193.db2.gz SJVJMWYHCNKLHH-IYBDPMFKSA-N 1 1 283.419 3.246 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc3c(c2)C[C@@H](C)O3)C1 ZINC001308831603 933186077 /nfs/dbraw/zinc/18/60/77/933186077.db2.gz CUGAMDJRSYIZLZ-CABCVRRESA-N 1 1 269.388 3.245 20 30 CGEDMO C=C(C)C[C@H]([NH2+]C[C@@H]1CCC[C@@H](CC)C1)C(=O)OC ZINC001308901808 933199786 /nfs/dbraw/zinc/19/97/86/933199786.db2.gz NKACTRDMSNIPOZ-KFWWJZLASA-N 1 1 267.413 3.300 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)[C@@H]1CCCC[C@@H]1C1CC1 ZINC001317481259 933250686 /nfs/dbraw/zinc/25/06/86/933250686.db2.gz FDXPYQOEIFLGOF-IAGOWNOFSA-N 1 1 292.467 3.217 20 30 CGEDMO CCCCCCCCNC(=O)N1CC[N@@H+](CC)C[C@@H]1C ZINC001312306637 933351638 /nfs/dbraw/zinc/35/16/38/933351638.db2.gz JTFXTCWKDSHYHK-HNNXBMFYSA-N 1 1 283.460 3.083 20 30 CGEDMO C=CCC1(NC(=O)NC[C@@H]2CCCC[N@@H+]2C)CCCCC1 ZINC001313376171 933447882 /nfs/dbraw/zinc/44/78/82/933447882.db2.gz MOCVHWGXMWOAAL-HNNXBMFYSA-N 1 1 293.455 3.049 20 30 CGEDMO C=C(C)C[N@H+](C)CCCNC(=O)c1ccccc1CCC ZINC001316836296 933484637 /nfs/dbraw/zinc/48/46/37/933484637.db2.gz WHTVMGMZCFPUQH-UHFFFAOYSA-N 1 1 288.435 3.267 20 30 CGEDMO C=CCCC[N@@H+](C)CCCNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001316846947 933487183 /nfs/dbraw/zinc/48/71/83/933487183.db2.gz FXJJXZRQOUSEIO-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCCNC(=O)C(C)(C)C(C)(F)F ZINC001316864576 933487806 /nfs/dbraw/zinc/48/78/06/933487806.db2.gz JOTNDOJYAMNENL-UHFFFAOYSA-N 1 1 290.398 3.072 20 30 CGEDMO C=CC[N@@H+](CCCNC(=O)C1(C2CCC2)CCC1)C1CC1 ZINC001316922400 933494374 /nfs/dbraw/zinc/49/43/74/933494374.db2.gz OGHQLDIKGSCLQD-UHFFFAOYSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)[C@@H]1CCCC[C@@H]1C)C1CC1 ZINC001316921639 933495225 /nfs/dbraw/zinc/49/52/25/933495225.db2.gz URLVTBTVPVGZBR-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cocc2C)C1 ZINC001316948334 933499835 /nfs/dbraw/zinc/49/98/35/933499835.db2.gz UKSHGSKPGZPCPK-LSDHHAIUSA-N 1 1 290.407 3.137 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)C[C@H](CC)CCCC)C1 ZINC001316947967 933500052 /nfs/dbraw/zinc/50/00/52/933500052.db2.gz PQRHUYPYJHGACM-SJORKVTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC=C)C1)c1ccccc1 ZINC001316952209 933502714 /nfs/dbraw/zinc/50/27/14/933502714.db2.gz NPKBDSFIQDOGMF-MSOLQXFVSA-N 1 1 298.430 3.113 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)CCCCCCCC)C1 ZINC001316956143 933503673 /nfs/dbraw/zinc/50/36/73/933503673.db2.gz ZBJNIHXIEDHUCA-QGZVFWFLSA-N 1 1 292.467 3.341 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[N@H+](CC/C=C\CC)C1 ZINC001316979028 933506074 /nfs/dbraw/zinc/50/60/74/933506074.db2.gz HTLQSVIGTHHLKL-LZNQSLFOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CCCC)C(C)C)C1 ZINC001316994938 933508061 /nfs/dbraw/zinc/50/80/61/933508061.db2.gz ROAYGVMMRYJHRJ-CVEARBPZSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CC2(C)C)C1 ZINC001317032679 933515751 /nfs/dbraw/zinc/51/57/51/933515751.db2.gz HCHCPWSKILKYAW-HZPDHXFCSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[C@H](C[N@@H+](C)CC(=C)C)C1 ZINC001317040105 933518545 /nfs/dbraw/zinc/51/85/45/933518545.db2.gz WYDKZKXGWWDWND-IAGOWNOFSA-N 1 1 292.467 3.335 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCCC)C1 ZINC001317100215 933531799 /nfs/dbraw/zinc/53/17/99/933531799.db2.gz HHZRRVWXHJWAPF-GJZGRUSLSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCCC)C1 ZINC001317100215 933531806 /nfs/dbraw/zinc/53/18/06/933531806.db2.gz HHZRRVWXHJWAPF-GJZGRUSLSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)C2CCC2)C1 ZINC001317140832 933540251 /nfs/dbraw/zinc/54/02/51/933540251.db2.gz SNJYMPOOSVEWNL-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)C1CCCC1 ZINC001317177122 933546685 /nfs/dbraw/zinc/54/66/85/933546685.db2.gz RTNYRQTWVJTAKR-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCCC ZINC001317199006 933552159 /nfs/dbraw/zinc/55/21/59/933552159.db2.gz OXNLWJBPQJTCDM-IAGOWNOFSA-N 1 1 290.451 3.045 20 30 CGEDMO C=C/C(C)=C/CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CC(=C)C)C1 ZINC001317208795 933552970 /nfs/dbraw/zinc/55/29/70/933552970.db2.gz LIXRCJSCJMYXCD-DKXBRRKKSA-N 1 1 290.451 3.302 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)CCC)C1 ZINC001317208842 933553339 /nfs/dbraw/zinc/55/33/39/933553339.db2.gz MCSFJLDVKLNMQX-CVEARBPZSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)C2CCC2)C1 ZINC001317374710 933579377 /nfs/dbraw/zinc/57/93/77/933579377.db2.gz FIYDXHBHHKRHBJ-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC[C@H]([N@H+](C)CCCC)C1 ZINC001317380164 933581801 /nfs/dbraw/zinc/58/18/01/933581801.db2.gz ZPSGQSWBHWQKEK-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@H](CC)C(C)C)C1 ZINC001317380196 933582892 /nfs/dbraw/zinc/58/28/92/933582892.db2.gz AKXTVPHPCNCWPN-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)CC(C)(C)CC ZINC001317423668 933591647 /nfs/dbraw/zinc/59/16/47/933591647.db2.gz OKRLQXXHNUWIES-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC[N@@H+](CC)CCNC(=O)C/C=C/c1ccc(C)cc1 ZINC001317491011 933601466 /nfs/dbraw/zinc/60/14/66/933601466.db2.gz DAFYRWWIMZFGJM-VOTSOKGWSA-N 1 1 286.419 3.022 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)[C@H]1CCC(C)(C)C1 ZINC001317486074 933603419 /nfs/dbraw/zinc/60/34/19/933603419.db2.gz JEHLULAJWKNYED-HNNXBMFYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)C1CCCC1 ZINC001317491506 933604803 /nfs/dbraw/zinc/60/48/03/933604803.db2.gz KDHGFJIOYPORBS-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC[N@@H+]1CC1CC(C)C1 ZINC001317506120 933606955 /nfs/dbraw/zinc/60/69/55/933606955.db2.gz RAYQMADDDFITBT-GPANFISMSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[C@H]([NH2+]C1CCC(C)(CC)CC1)C(=O)OC ZINC001474668050 933638289 /nfs/dbraw/zinc/63/82/89/933638289.db2.gz OUQSEFTWYNOVMG-BBBYJDLNSA-N 1 1 267.413 3.443 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)C[C@H](C)CCC)C1 ZINC001317753967 933644791 /nfs/dbraw/zinc/64/47/91/933644791.db2.gz NVVAJTGEWDTJLH-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C1CCC(C(=O)N(CCC)[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC001317764003 933647689 /nfs/dbraw/zinc/64/76/89/933647689.db2.gz UUHRSBWJDYTTCJ-QGZVFWFLSA-N 1 1 292.467 3.454 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001317979673 933671619 /nfs/dbraw/zinc/67/16/19/933671619.db2.gz TWNWFAHZEULVOC-OWCLPIDISA-N 1 1 280.456 3.193 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@@H+](C/C=C/c2ccccc2)C1 ZINC001318273682 933704861 /nfs/dbraw/zinc/70/48/61/933704861.db2.gz VGXORAFFVWPLNL-MZEUMTGBSA-N 1 1 298.430 3.247 20 30 CGEDMO C=C[C@@H](C(=O)N[C@H]1CC[N@H+](CCC(=C)C)C1)c1ccccc1 ZINC001318301156 933706562 /nfs/dbraw/zinc/70/65/62/933706562.db2.gz NPFIJTPRSROLSG-ZWKOTPCHSA-N 1 1 298.430 3.113 20 30 CGEDMO C=CCCC(=O)N(C)[C@H]1CC[N@H+](CCCCCC)C1 ZINC001318387876 933718232 /nfs/dbraw/zinc/71/82/32/933718232.db2.gz VQGQUDCPKAQALN-HNNXBMFYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCC1(C(=O)N(C)[C@H]2CC[N@H+](CCCC)C2)CCC1 ZINC001318430322 933724331 /nfs/dbraw/zinc/72/43/31/933724331.db2.gz YUJJDQXSUJMZFG-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C#CCOCC[N@@H+](C)Cc1cc(Cl)ccc1Cl ZINC001319657024 933909890 /nfs/dbraw/zinc/90/98/90/933909890.db2.gz QRYSJORYZWUUGO-UHFFFAOYSA-N 1 1 272.175 3.075 20 30 CGEDMO C#CCOCC[N@H+](C)Cc1cc(Cl)ccc1Cl ZINC001319657024 933909901 /nfs/dbraw/zinc/90/99/01/933909901.db2.gz QRYSJORYZWUUGO-UHFFFAOYSA-N 1 1 272.175 3.075 20 30 CGEDMO C=CCOc1cccc(CN[C@H]2CCCC[C@H]2[NH+](C)C)c1 ZINC001319833020 933940492 /nfs/dbraw/zinc/94/04/92/933940492.db2.gz GZFAEYHOVAYLBE-ZWKOTPCHSA-N 1 1 288.435 3.214 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)C(C)=C1CCCC1 ZINC001319989346 933974484 /nfs/dbraw/zinc/97/44/84/933974484.db2.gz FDESGMAPQDQZDQ-UHFFFAOYSA-N 1 1 278.440 3.233 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)c1cccc(C(F)F)c1 ZINC001320073293 933991723 /nfs/dbraw/zinc/99/17/23/933991723.db2.gz WHTJAWQQNYGHIT-UHFFFAOYSA-N 1 1 296.361 3.204 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)C12CCC(CC1)CC2 ZINC001320085091 933995690 /nfs/dbraw/zinc/99/56/90/933995690.db2.gz OHTSBZSRZTZCIV-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C#CCC[N@H+](C)CCN(C)C(=O)CC1CCC(C)(C)CC1 ZINC001320096675 933998646 /nfs/dbraw/zinc/99/86/46/933998646.db2.gz OSOXCVQOFMIDHR-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2coc(-c3cccs3)n2)C1 ZINC001320161420 934010655 /nfs/dbraw/zinc/01/06/55/934010655.db2.gz YNFACUHBELWOLP-ZDUSSCGKSA-N 1 1 290.388 3.180 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2coc(-c3cccs3)n2)C1 ZINC001320161420 934010665 /nfs/dbraw/zinc/01/06/65/934010665.db2.gz YNFACUHBELWOLP-ZDUSSCGKSA-N 1 1 290.388 3.180 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC001320160830 934011280 /nfs/dbraw/zinc/01/12/80/934011280.db2.gz RWTPYJCJGSDIRC-DZGCQCFKSA-N 1 1 290.363 3.241 20 30 CGEDMO C=CC[C@@H]([NH2+][C@H](C)C1CCC(F)(F)CC1)C(=O)OCC ZINC001321202682 934162816 /nfs/dbraw/zinc/16/28/16/934162816.db2.gz OKXOGOUSLQAZNX-DGCLKSJQSA-N 1 1 289.366 3.298 20 30 CGEDMO C[N@@H+](CCCNc1cccc(CC#N)n1)Cc1ccccc1 ZINC001321329641 934176986 /nfs/dbraw/zinc/17/69/86/934176986.db2.gz XZMKVRYXGKRSQF-UHFFFAOYSA-N 1 1 294.402 3.082 20 30 CGEDMO C=CCCC(C)(C)NC(=O)N[C@H](C)C[N@H+](C)CCCC ZINC001470370405 937751744 /nfs/dbraw/zinc/75/17/44/937751744.db2.gz HIXMMWORFLOUBK-CQSZACIVSA-N 1 1 283.460 3.151 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)C1(CC)CCC1 ZINC001322224233 934261435 /nfs/dbraw/zinc/26/14/35/934261435.db2.gz PZUZVNXPQILFGE-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)C12CCC(CC1)C2 ZINC001323262453 934376265 /nfs/dbraw/zinc/37/62/65/934376265.db2.gz NRLHUGSGINOCRD-UERKLNTKSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCCCF ZINC001323763782 934423961 /nfs/dbraw/zinc/42/39/61/934423961.db2.gz SDIAPHBRPVTSHI-IYBDPMFKSA-N 1 1 296.430 3.158 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC001323786863 934426154 /nfs/dbraw/zinc/42/61/54/934426154.db2.gz ZWSQOUSQNOPFNH-OAHLLOKOSA-N 1 1 293.794 3.052 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccccc2OC(C)C)C1 ZINC001323786267 934426266 /nfs/dbraw/zinc/42/62/66/934426266.db2.gz UODLWFZGMYFYJD-INIZCTEOSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CCCC[N@H+]1CC[C@]2(CCN(C(=O)c3ccccc3)C2)C1 ZINC001323835818 934430068 /nfs/dbraw/zinc/43/00/68/934430068.db2.gz NDWDCHQLPSGJLE-IBGZPJMESA-N 1 1 298.430 3.191 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@H](C)CCC)C2)C1 ZINC001323844898 934430728 /nfs/dbraw/zinc/43/07/28/934430728.db2.gz MTMAOHYDCPOQFI-FUHWJXTLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCCC(=O)N1CC[C@]2(CC[N@H+](CC[C@H](C)F)C2)C1 ZINC001323860764 934432489 /nfs/dbraw/zinc/43/24/89/934432489.db2.gz VMVJZFPZXONMSI-RDJZCZTQSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCCCCC[NH+]1CC(N(C)C(=O)C(C)(C)CC)C1 ZINC001323980925 934444668 /nfs/dbraw/zinc/44/46/68/934444668.db2.gz ZQBDXANOQVZYIE-UHFFFAOYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C[C@H](CC)CC(=O)N(C)C1C[NH+](CC/C=C/CC)C1 ZINC001323970479 934444764 /nfs/dbraw/zinc/44/47/64/934444764.db2.gz VHBJMEHWNRKKFM-XVJNWHFHSA-N 1 1 278.440 3.088 20 30 CGEDMO N#CCCOCC[N@H+]1C[C@@H]2CCCC[C@]21c1ccccc1 ZINC001324266819 934478649 /nfs/dbraw/zinc/47/86/49/934478649.db2.gz NUOMNGRVPKSWLS-ROUUACIJSA-N 1 1 284.403 3.318 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc3nc(C)ccc3c2)C1 ZINC001324346197 934491429 /nfs/dbraw/zinc/49/14/29/934491429.db2.gz XTFCMGMMLIUAOP-QGZVFWFLSA-N 1 1 282.387 3.320 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@](C)(NC(=O)C[C@H]2CC=CCC2)C1 ZINC001324642511 934537889 /nfs/dbraw/zinc/53/78/89/934537889.db2.gz XBAHYJUHNZLLAK-WMZOPIPTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+](CC1CCCCC1)C[C@@](C)(O)C(F)F ZINC001473163332 937795258 /nfs/dbraw/zinc/79/52/58/937795258.db2.gz LKVRUWSRIKSRMV-CQSZACIVSA-N 1 1 261.356 3.071 20 30 CGEDMO C=CCCCC[N@H+](CC)[C@@H]1CCN(c2ccccc2)C1=O ZINC001473183955 937796466 /nfs/dbraw/zinc/79/64/66/937796466.db2.gz CCCAJVLBXNMAEG-QGZVFWFLSA-N 1 1 286.419 3.470 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)CC(C)(C)C)C1 ZINC001324909903 934871250 /nfs/dbraw/zinc/87/12/50/934871250.db2.gz PGLVBSQSLACCBS-KRWDZBQOSA-N 1 1 280.456 3.217 20 30 CGEDMO C[C@H]([NH2+]CC(=O)c1ccccc1F)c1ccc(C#N)cc1 ZINC001473468553 937808222 /nfs/dbraw/zinc/80/82/22/937808222.db2.gz PQRBCPBZUPIQMA-LBPRGKRZSA-N 1 1 282.318 3.231 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc(CCC)cc2)C1 ZINC001325229405 934897132 /nfs/dbraw/zinc/89/71/32/934897132.db2.gz ZTJQTRWYLQYUNI-QGZVFWFLSA-N 1 1 259.393 3.416 20 30 CGEDMO Cc1nc(N2CCCCC2)sc1C=[NH+]OC(C)C ZINC001325321051 934903741 /nfs/dbraw/zinc/90/37/41/934903741.db2.gz YXBHSEIXGSAHOJ-UHFFFAOYSA-N 1 1 267.398 3.201 20 30 CGEDMO C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H](C)CC)C2 ZINC001325615496 934920030 /nfs/dbraw/zinc/92/00/30/934920030.db2.gz AEZKTXTYMBJKAZ-NXOAAHMSSA-N 1 1 292.467 3.358 20 30 CGEDMO Cc1ccc(CN2CC[N@H+](C)[C@H](C(C)(C)C)C2)cc1C#N ZINC001473599751 937813316 /nfs/dbraw/zinc/81/33/16/937813316.db2.gz QUFXABHDBVXZID-KRWDZBQOSA-N 1 1 285.435 3.029 20 30 CGEDMO Cc1ccc(C[N@H+]2CCN(C)[C@H](C(C)(C)C)C2)cc1C#N ZINC001473599751 937813318 /nfs/dbraw/zinc/81/33/18/937813318.db2.gz QUFXABHDBVXZID-KRWDZBQOSA-N 1 1 285.435 3.029 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCN(C)[C@H](C(C)(C)C)C2)cc1C#N ZINC001473599751 937813320 /nfs/dbraw/zinc/81/33/20/937813320.db2.gz QUFXABHDBVXZID-KRWDZBQOSA-N 1 1 285.435 3.029 20 30 CGEDMO C#CC[N@@H+](CCc1c(F)cccc1Cl)C1CSC1 ZINC001473630500 937814528 /nfs/dbraw/zinc/81/45/28/937814528.db2.gz UEIDAVMZMMXJDR-UHFFFAOYSA-N 1 1 283.799 3.072 20 30 CGEDMO C#CC[N@H+](CCc1c(F)cccc1Cl)C1CSC1 ZINC001473630500 937814530 /nfs/dbraw/zinc/81/45/30/937814530.db2.gz UEIDAVMZMMXJDR-UHFFFAOYSA-N 1 1 283.799 3.072 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](C[C@@H]2Cc3cc(OC)ccc3O2)C1 ZINC001473627475 937814543 /nfs/dbraw/zinc/81/45/43/937814543.db2.gz LAHCWADJZHQZGO-PBHICJAKSA-N 1 1 287.403 3.287 20 30 CGEDMO Cn1cc(-c2ccc(C[N@H+](C)CC(C)(C)C#N)cc2)cn1 ZINC001326342899 934972868 /nfs/dbraw/zinc/97/28/68/934972868.db2.gz KCNGSVYMYJHQFQ-UHFFFAOYSA-N 1 1 282.391 3.069 20 30 CGEDMO Cn1cc(-c2ccc(C[N@@H+](C)CC(C)(C)C#N)cc2)cn1 ZINC001326342899 934972870 /nfs/dbraw/zinc/97/28/70/934972870.db2.gz KCNGSVYMYJHQFQ-UHFFFAOYSA-N 1 1 282.391 3.069 20 30 CGEDMO Cc1ccccc1OCCC[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC001473705357 937818021 /nfs/dbraw/zinc/81/80/21/937818021.db2.gz AJKDCHCPJNQLNM-CVEARBPZSA-N 1 1 272.392 3.388 20 30 CGEDMO C[N@H+](Cc1c[nH]c(=O)c2ccccc12)[C@H]1CCC[C@@H]1C#N ZINC001473707287 937818147 /nfs/dbraw/zinc/81/81/47/937818147.db2.gz IYAXBXNOGJRDGN-WBMJQRKESA-N 1 1 281.359 3.064 20 30 CGEDMO C[N@@H+](Cc1c[nH]c(=O)c2ccccc12)[C@H]1CCC[C@@H]1C#N ZINC001473707287 937818148 /nfs/dbraw/zinc/81/81/48/937818148.db2.gz IYAXBXNOGJRDGN-WBMJQRKESA-N 1 1 281.359 3.064 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC001326795627 935008564 /nfs/dbraw/zinc/00/85/64/935008564.db2.gz ZECVHMQRBNCMLK-KRWDZBQOSA-N 1 1 284.403 3.265 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C)CC)CC1 ZINC001327117200 935031868 /nfs/dbraw/zinc/03/18/68/935031868.db2.gz YLSWRIXHPGSCDW-GXTWGEPZSA-N 1 1 286.847 3.146 20 30 CGEDMO C#CCCCC(=O)N(C)CCC[N@@H+](C)CC1=CCCCC1 ZINC001327199053 935043924 /nfs/dbraw/zinc/04/39/24/935043924.db2.gz DXBCOXUXOSFVJA-UHFFFAOYSA-N 1 1 290.451 3.071 20 30 CGEDMO C=CC[N@H+](C)CCCN(C)C(=O)C12CCC(CC1)C2(C)C ZINC001327272059 935049440 /nfs/dbraw/zinc/04/94/40/935049440.db2.gz VPFMNRQLUCPUQB-UHFFFAOYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)[C@H](C)c1ccccc1 ZINC001327286173 935050404 /nfs/dbraw/zinc/05/04/04/935050404.db2.gz WNZJWDRVMKCSAE-MRXNPFEDSA-N 1 1 288.435 3.147 20 30 CGEDMO C=CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)C1(CC)CC1 ZINC001328470873 935141563 /nfs/dbraw/zinc/14/15/63/935141563.db2.gz ZVYLMTYHBYKESP-QGZVFWFLSA-N 1 1 298.430 3.078 20 30 CGEDMO C=CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C1(CC)CC1 ZINC001328470873 935141565 /nfs/dbraw/zinc/14/15/65/935141565.db2.gz ZVYLMTYHBYKESP-QGZVFWFLSA-N 1 1 298.430 3.078 20 30 CGEDMO C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](C)C(CC)CC ZINC001328733257 935164502 /nfs/dbraw/zinc/16/45/02/935164502.db2.gz NETULCWHNOGDPK-NVXWUHKLSA-N 1 1 292.467 3.005 20 30 CGEDMO CC#CCC[N@H+]1CCCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC001328778665 935168677 /nfs/dbraw/zinc/16/86/77/935168677.db2.gz FZTBBQAFOMDRMS-OAHLLOKOSA-N 1 1 294.439 3.169 20 30 CGEDMO C[NH+](C)[C@@H]1CCCC[C@@H]1NCc1ccc(C(C)(C)C#N)cc1 ZINC001329113340 935187613 /nfs/dbraw/zinc/18/76/13/935187613.db2.gz JDUJZCPMGZLXBV-ZWKOTPCHSA-N 1 1 299.462 3.450 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1sccc1F ZINC001329432103 935215926 /nfs/dbraw/zinc/21/59/26/935215926.db2.gz RRJFDMKVLDAHEX-NWDGAFQWSA-N 1 1 298.427 3.292 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)c1ccc(CCC)s1 ZINC001329448925 935216967 /nfs/dbraw/zinc/21/69/67/935216967.db2.gz FKWAQCSEYCOOIS-CYBMUJFWSA-N 1 1 294.464 3.327 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1C ZINC001329449977 935217127 /nfs/dbraw/zinc/21/71/27/935217127.db2.gz IVDLQEGWEWODGS-MRXNPFEDSA-N 1 1 288.435 3.288 20 30 CGEDMO C=CCCCC(=O)NC[C@H](C)[N@@H+](C)CC1CC(C)(C)C1 ZINC001329530276 935224186 /nfs/dbraw/zinc/22/41/86/935224186.db2.gz FWJHOWRXZBAFQF-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)CNC(=O)CC[C@H](C)c1ccccc1 ZINC001329575478 935229068 /nfs/dbraw/zinc/22/90/68/935229068.db2.gz TYHZYNSXBBBEOZ-HOTGVXAUSA-N 1 1 288.435 3.193 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3CC[C@@H]4OCCC[C@@H]4C3)cc2)CC1 ZINC001330235765 935279831 /nfs/dbraw/zinc/27/98/31/935279831.db2.gz AXBPMLHSKMTLNN-AEFFLSMTSA-N 1 1 296.414 3.243 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCCC)C[C@@H]2C1 ZINC001330465671 935289744 /nfs/dbraw/zinc/28/97/44/935289744.db2.gz FCLSNWPFKUUUTD-IXDOHACOSA-N 1 1 292.467 3.360 20 30 CGEDMO CC(=[NH+]N[C@@H](C)C(F)(F)F)c1c(C)cc(N)cc1C ZINC001330875115 935331141 /nfs/dbraw/zinc/33/11/41/935331141.db2.gz GGQDSBPEIWMXBV-JTQLQIEISA-N 1 1 273.302 3.150 20 30 CGEDMO C#CC[N@H+](Cc1cccc2ncccc12)CC1CC1 ZINC001331044458 935345007 /nfs/dbraw/zinc/34/50/07/935345007.db2.gz ZVCIMCQZCOKKPR-UHFFFAOYSA-N 1 1 250.345 3.080 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)C[C@@H]2CC[C@H](C)C2)CC1 ZINC001331038407 935345400 /nfs/dbraw/zinc/34/54/00/935345400.db2.gz DUYIQEHGXMZMTC-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO N#CCc1cccc2c1CC[N@@H+](Cc1cccn1C1CC1)C2 ZINC001331802262 935411357 /nfs/dbraw/zinc/41/13/57/935411357.db2.gz CFZVCUMVOSDEAP-UHFFFAOYSA-N 1 1 291.398 3.447 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C(=O)[C@@H]1CC[C@@H](F)C1)C(C)C ZINC001332723643 935485644 /nfs/dbraw/zinc/48/56/44/935485644.db2.gz OTZLHAPZHAMXCA-HZPDHXFCSA-N 1 1 298.446 3.260 20 30 CGEDMO CO[C@H]1C[N@@H+](CCCCC2(C#N)CCC2)CC[C@@H]1C ZINC001332992449 935503173 /nfs/dbraw/zinc/50/31/73/935503173.db2.gz FLALEKPIUURQNS-GJZGRUSLSA-N 1 1 264.413 3.207 20 30 CGEDMO C[C@H]1CC[C@](CO)([N@@H+](C)CCCCC2(C#N)CCC2)C1 ZINC001334110354 936085644 /nfs/dbraw/zinc/08/56/44/936085644.db2.gz HDFXIPRURQADGK-RDJZCZTQSA-N 1 1 278.440 3.333 20 30 CGEDMO C[N@H+](Cc1cnn(C2CCC2)c1)Cc1cccc(C#N)c1 ZINC001334122628 936086594 /nfs/dbraw/zinc/08/65/94/936086594.db2.gz FRTUAGFODOGFLE-UHFFFAOYSA-N 1 1 280.375 3.112 20 30 CGEDMO C[N@@H+](Cc1cnn(C2CCC2)c1)Cc1cccc(C#N)c1 ZINC001334122628 936086597 /nfs/dbraw/zinc/08/65/97/936086597.db2.gz FRTUAGFODOGFLE-UHFFFAOYSA-N 1 1 280.375 3.112 20 30 CGEDMO C=C(Br)C[NH2+]Cc1c(C)nn(C(C)C)c1C ZINC001336710705 936209667 /nfs/dbraw/zinc/20/96/67/936209667.db2.gz VHQRXKUXUSHWKJ-UHFFFAOYSA-N 1 1 286.217 3.079 20 30 CGEDMO CC(C)CNN=C1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001337118799 936237754 /nfs/dbraw/zinc/23/77/54/936237754.db2.gz WANBVHHRWHNGTL-HNNXBMFYSA-N 1 1 273.424 3.273 20 30 CGEDMO CC[N@H+]1CCC[C@H](CN[C@@H](C)c2ccc(C#N)cc2F)C1 ZINC001337505013 936265390 /nfs/dbraw/zinc/26/53/90/936265390.db2.gz YPNFHEJTSUYZPI-DZGCQCFKSA-N 1 1 289.398 3.080 20 30 CGEDMO C=C(CC)C[N@@H+](C)Cc1cc(-c2ccccc2)n[nH]1 ZINC001473869042 937826343 /nfs/dbraw/zinc/82/63/43/937826343.db2.gz PIEZWWZMJNJOKW-UHFFFAOYSA-N 1 1 255.365 3.475 20 30 CGEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@H](C3CCCC3)C2)CCC1 ZINC001473888885 937827513 /nfs/dbraw/zinc/82/75/13/937827513.db2.gz XTVIHTQIVAINRL-IRXDYDNUSA-N 1 1 290.451 3.333 20 30 CGEDMO C=CC[N@@H+](Cc1cc(C(=O)OC)c(C)[nH]1)Cc1ccccc1 ZINC001474334729 937851777 /nfs/dbraw/zinc/85/17/77/937851777.db2.gz YESBUIFLHQGMLG-UHFFFAOYSA-N 1 1 298.386 3.298 20 30 CGEDMO C=CC[N@H+](Cc1cc(C(=O)OC)c(C)[nH]1)Cc1ccccc1 ZINC001474334729 937851778 /nfs/dbraw/zinc/85/17/78/937851778.db2.gz YESBUIFLHQGMLG-UHFFFAOYSA-N 1 1 298.386 3.298 20 30 CGEDMO C[N@@H+](Cc1cccn1C(F)F)Cc1ccc(C#N)cc1 ZINC001474365213 937855004 /nfs/dbraw/zinc/85/50/04/937855004.db2.gz YJSOARIOBPYYHU-UHFFFAOYSA-N 1 1 275.302 3.387 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccc(OC)cc2CC)C1 ZINC001474390004 937856691 /nfs/dbraw/zinc/85/66/91/937856691.db2.gz RLCIDVGYNCQRSL-KRWDZBQOSA-N 1 1 275.392 3.035 20 30 CGEDMO C=CC[C@H]1[N@H+](Cc2ccc(=O)[nH]c2)CCCC1(C)C ZINC001474482149 937862568 /nfs/dbraw/zinc/86/25/68/937862568.db2.gz RBIZMSLQHNRHNA-CQSZACIVSA-N 1 1 260.381 3.354 20 30 CGEDMO C=CCC[C@@H]([NH2+][C@H](C)CCC(C)C)C(=O)OCC ZINC001474528873 937864464 /nfs/dbraw/zinc/86/44/64/937864464.db2.gz YYDLLKSWNJBFAF-ZIAGYGMSSA-N 1 1 255.402 3.299 20 30 CGEDMO C=CCC[C@@H]([NH2+][C@H]1CCc2ccccc2C1)C(=O)OCC ZINC001474528640 937864711 /nfs/dbraw/zinc/86/47/11/937864711.db2.gz SHCQMIQRGCREBP-DLBZAZTESA-N 1 1 287.403 3.031 20 30 CGEDMO CCCCCCCCCNC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC001477450883 937895422 /nfs/dbraw/zinc/89/54/22/937895422.db2.gz UFFMXEGXGRLOGQ-INIZCTEOSA-N 1 1 297.487 3.473 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001479094524 937916134 /nfs/dbraw/zinc/91/61/34/937916134.db2.gz XKCMGJNBFBHTIH-HUUCEWRRSA-N 1 1 295.471 3.103 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H](CC)C(C)C ZINC001479261330 937918323 /nfs/dbraw/zinc/91/83/23/937918323.db2.gz RQHCEOXOWZJAIL-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCC1CCCC1 ZINC001479272027 937919008 /nfs/dbraw/zinc/91/90/08/937919008.db2.gz YLWRXCYOCZDWDL-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCCC[C@H]1C[N@@H+](C)CC=C ZINC001479735589 937924632 /nfs/dbraw/zinc/92/46/32/937924632.db2.gz VGRNERWEGICCNF-KRWDZBQOSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCNC(=O)C1(CC)CCCC1 ZINC001479805369 937926347 /nfs/dbraw/zinc/92/63/47/937926347.db2.gz DFZINIPAARQTSE-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCCNC(=O)C1(C)C(C)(C)C1(C)C ZINC001479816926 937926418 /nfs/dbraw/zinc/92/64/18/937926418.db2.gz BRDWCERFFYVUNO-UHFFFAOYSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)c1csc(C)c1C)C1CC1 ZINC001479869392 937927993 /nfs/dbraw/zinc/92/79/93/937927993.db2.gz ABRQNRWHYTUACE-UHFFFAOYSA-N 1 1 292.448 3.135 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)CC(C)(C)C2CC2)C1 ZINC001479903372 937928296 /nfs/dbraw/zinc/92/82/96/937928296.db2.gz QWLSCCURAJJKIB-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)/C=C(\C)CC)C1 ZINC001479903450 937928772 /nfs/dbraw/zinc/92/87/72/937928772.db2.gz UNSHWFVNYPTCQS-OPYKRYAKSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001479963295 937930413 /nfs/dbraw/zinc/93/04/13/937930413.db2.gz YBBUYCKFBADFEQ-FUHWJXTLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)/C(C)=C\CC)C1 ZINC001480070863 937931809 /nfs/dbraw/zinc/93/18/09/937931809.db2.gz BEJPHTBAKZUBPE-MVMZHWFQSA-N 1 1 278.440 3.089 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)CCCC)C1 ZINC001480252601 937935239 /nfs/dbraw/zinc/93/52/39/937935239.db2.gz OEKZSNVNBUPUFK-HOTGVXAUSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CCC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CC(=C)Cl)C1 ZINC001480379841 937937591 /nfs/dbraw/zinc/93/75/91/937937591.db2.gz MSRPVOXRIVFVEX-HUUCEWRRSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)/C=C(/C)CC)C1 ZINC001480723161 937942569 /nfs/dbraw/zinc/94/25/69/937942569.db2.gz BDOLEHKLWKEYQA-KGAUPUERSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)C[C@@H]1CCCC[C@@H]1C ZINC001493063226 937946690 /nfs/dbraw/zinc/94/66/90/937946690.db2.gz KDVGJRDMPMNKLE-HOTGVXAUSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)C1(C)CCCCCC1 ZINC001493110774 937947547 /nfs/dbraw/zinc/94/75/47/937947547.db2.gz LSESBBJXHLAMRD-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](CNC(=O)/C(C)=C/C)C1 ZINC001493194616 937948604 /nfs/dbraw/zinc/94/86/04/937948604.db2.gz XVSWFSOAGBSFKF-HSUWOCHWSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)C2(CCC)CCC2)C1 ZINC001493229685 937948661 /nfs/dbraw/zinc/94/86/61/937948661.db2.gz XCYJVLVYDVYSAQ-AWEZNQCLSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)C2(CCC)CCC2)C1 ZINC001493229685 937948663 /nfs/dbraw/zinc/94/86/63/937948663.db2.gz XCYJVLVYDVYSAQ-AWEZNQCLSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C(C)CC[N@@H+](CCC)CCNC(=O)C1(F)CCCC1 ZINC001493300579 937949178 /nfs/dbraw/zinc/94/91/78/937949178.db2.gz NUKDVIOADOETEF-UHFFFAOYSA-N 1 1 284.419 3.063 20 30 CGEDMO C#CC[N@@H+](CCC)CCNC(=O)CCC1CCCCCC1 ZINC001493306198 937949234 /nfs/dbraw/zinc/94/92/34/937949234.db2.gz APDDWGWSAOEMFK-UHFFFAOYSA-N 1 1 292.467 3.198 20 30 CGEDMO C=C(C)CC[N@@H+](CCNC(=O)c1oc(C)cc1C)C1CC1 ZINC001493361425 937950155 /nfs/dbraw/zinc/95/01/55/937950155.db2.gz QZGRUHBLPXKWFR-UHFFFAOYSA-N 1 1 290.407 3.057 20 30 CGEDMO C#CCC[N@H+](CCNC(=O)C[C@@H](CC)C(C)(C)C)C1CC1 ZINC001493436286 937950453 /nfs/dbraw/zinc/95/04/53/937950453.db2.gz ROQYRCPMBDDLAI-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1C(C)(C)C)C(C)C ZINC001493862940 937951598 /nfs/dbraw/zinc/95/15/98/937951598.db2.gz RDBSDVGOBMDWAX-HZPDHXFCSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)c2sccc2C)C1 ZINC001493939354 937952274 /nfs/dbraw/zinc/95/22/74/937952274.db2.gz PSAKPQVLXPLVKE-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CCNC(=O)c2ccc(C)s2)C1 ZINC001493983966 937952870 /nfs/dbraw/zinc/95/28/70/937952870.db2.gz NBLNSJHXXMOUFU-AWEZNQCLSA-N 1 1 292.448 3.074 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](C)C(C)(C)C)C1 ZINC001494027608 937953112 /nfs/dbraw/zinc/95/31/12/937953112.db2.gz GGNMZXCOOCNPSB-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)C[C@@H]2CC=CCC2)C1 ZINC001494045909 937953205 /nfs/dbraw/zinc/95/32/05/937953205.db2.gz AEYXJHBXPYFOMR-IAGOWNOFSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)[C@]2(C)CC=CCC2)C1 ZINC001494018824 937953209 /nfs/dbraw/zinc/95/32/09/937953209.db2.gz PNHWGMNGIOTQNW-SJLPKXTDSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@H](NC(=O)C=C2CCC2)C1 ZINC001494315142 937954302 /nfs/dbraw/zinc/95/43/02/937954302.db2.gz DFTHXHIZVAYJRQ-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC1C[NH+](CCC2=CCCCC2)C1 ZINC001494442923 937954603 /nfs/dbraw/zinc/95/46/03/937954603.db2.gz YNAQRPGQIXJDKT-SFHVURJKSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](CC)CCCC)C1 ZINC001494800209 937956308 /nfs/dbraw/zinc/95/63/08/937956308.db2.gz BROXEFIVVSPSDA-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C=C)c2ccccc2)C1 ZINC001494870006 937957126 /nfs/dbraw/zinc/95/71/26/937957126.db2.gz XTAYXCPJMOCTQM-SJLPKXTDSA-N 1 1 298.430 3.065 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CN(C(=O)CCCC3CC3)CC[C@@H]21 ZINC001496863571 937964606 /nfs/dbraw/zinc/96/46/06/937964606.db2.gz OWSOUFDYEGOJBX-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)CC1CCCCC1 ZINC001498224213 937968313 /nfs/dbraw/zinc/96/83/13/937968313.db2.gz SWAFSGZLFRGGDU-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)C(C)C ZINC001498295529 937968806 /nfs/dbraw/zinc/96/88/06/937968806.db2.gz UISAOLKPYXFZIZ-CABCVRRESA-N 1 1 282.472 3.460 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CC[N@H+]2CC2CC2)CCCCC1 ZINC001499128357 937972760 /nfs/dbraw/zinc/97/27/60/937972760.db2.gz WQEMHAFNUVQIQN-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO CC#CC[N@H+](CCNC(=O)[C@@H](C)CC)C1CCCCCC1 ZINC001499517535 937973668 /nfs/dbraw/zinc/97/36/68/937973668.db2.gz GCOMUTREFTWRPA-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(C)C ZINC001499558871 937973782 /nfs/dbraw/zinc/97/37/82/937973782.db2.gz JXKQVBSNSGPOGU-IYBDPMFKSA-N 1 1 292.467 3.310 20 30 CGEDMO CCCCCCC[NH+]1CC(N(C)C(=O)C2(CF)CCC2)C1 ZINC001499748946 937974588 /nfs/dbraw/zinc/97/45/88/937974588.db2.gz XZQFRGFTIXHDGO-UHFFFAOYSA-N 1 1 298.446 3.239 20 30 CGEDMO C=CC[N@H+](C)Cc1ccccc1CNC(=O)c1ccoc1C ZINC001501658279 937979976 /nfs/dbraw/zinc/97/99/76/937979976.db2.gz LPYNEOVABGANQS-UHFFFAOYSA-N 1 1 298.386 3.136 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)CC)CC1 ZINC001502102418 937981112 /nfs/dbraw/zinc/98/11/12/937981112.db2.gz WOMYZTWGOXOUFM-OAHLLOKOSA-N 1 1 266.429 3.114 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)C[C@H]1C=CCC1 ZINC001502158495 937981566 /nfs/dbraw/zinc/98/15/66/937981566.db2.gz UBOXKVRUFVXFEM-INIZCTEOSA-N 1 1 278.440 3.089 20 30 CGEDMO CC#CC[N@H+](C)CCCN(C)C(=O)[C@](C)(CC)CCC ZINC001502385111 937982147 /nfs/dbraw/zinc/98/21/47/937982147.db2.gz JTAXMCWPJSCAGB-QGZVFWFLSA-N 1 1 280.456 3.006 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[N@H+](C[C@@H](F)CC)CC1(C)C ZINC001502829452 937983475 /nfs/dbraw/zinc/98/34/75/937983475.db2.gz VGQIECSLOUBURX-LSDHHAIUSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccsc2)[C@@H](C)C1 ZINC001502907365 937983751 /nfs/dbraw/zinc/98/37/51/937983751.db2.gz VWOFMNUNRCCGLS-DZGCQCFKSA-N 1 1 292.448 3.183 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccoc2C)C[C@H]1C ZINC001502902560 937983789 /nfs/dbraw/zinc/98/37/89/937983789.db2.gz FNIANXZRDOLSGF-UKRRQHHQSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)CCc1ccc(C)s1 ZINC001506071664 937989143 /nfs/dbraw/zinc/98/91/43/937989143.db2.gz DWFRMFBQQNIHMR-CYBMUJFWSA-N 1 1 294.464 3.002 20 30 CGEDMO CC#CC[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)CCCCC ZINC001506063250 937989255 /nfs/dbraw/zinc/98/92/55/937989255.db2.gz NUAKRMCCDGAUIH-HNNXBMFYSA-N 1 1 280.456 3.053 20 30 CGEDMO C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)C[C@@H](CC)C(C)C ZINC001506577917 937990841 /nfs/dbraw/zinc/99/08/41/937990841.db2.gz DMTIQILFLBUICX-SJORKVTESA-N 1 1 292.467 3.053 20 30 CGEDMO CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@H](C)CCC ZINC001506567049 937990851 /nfs/dbraw/zinc/99/08/51/937990851.db2.gz XKIOUMLKMPTZRR-IAGOWNOFSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC12CC2 ZINC001506576287 937990897 /nfs/dbraw/zinc/99/08/97/937990897.db2.gz RUQSHZUMNNORKR-CVEARBPZSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C2(CF)CCC2)[C@H]1C ZINC001507379612 937995660 /nfs/dbraw/zinc/99/56/60/937995660.db2.gz AALGKEJUCGDXFC-CABCVRRESA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C2(CCC)CC2)[C@H]1C ZINC001507387993 937995764 /nfs/dbraw/zinc/99/57/64/937995764.db2.gz ZYLXPPSQEJCJQH-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO CCCCCCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001557613570 938211055 /nfs/dbraw/zinc/21/10/55/938211055.db2.gz ZDLZQWTWCSHDRE-LSDHHAIUSA-N 1 1 266.429 3.090 20 30 CGEDMO C#CC[N@H+](Cc1cnc(N(C)C)c2ccccc12)CC1CC1 ZINC001559658303 938232134 /nfs/dbraw/zinc/23/21/34/938232134.db2.gz FVKVNGBROTVHDU-UHFFFAOYSA-N 1 1 293.414 3.146 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001559797519 938236046 /nfs/dbraw/zinc/23/60/46/938236046.db2.gz SKFIHKNPWIHGKR-CORIIIEPSA-N 1 1 297.320 3.122 20 30 CGEDMO CCc1ccccc1CC[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC001560060711 938242880 /nfs/dbraw/zinc/24/28/80/938242880.db2.gz UFTYRDWNJGIVME-IAGOWNOFSA-N 1 1 256.393 3.416 20 30 CGEDMO CO[C@@H]1CC[C@@H](C)[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001560063803 938242948 /nfs/dbraw/zinc/24/29/48/938242948.db2.gz GVAIFAUOGOJGNJ-CZUORRHYSA-N 1 1 277.795 3.191 20 30 CGEDMO C=CCCCC[N@H+]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001560075546 938243426 /nfs/dbraw/zinc/24/34/26/938243426.db2.gz HNLKOQODUBEVLC-KRWDZBQOSA-N 1 1 275.392 3.425 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2[C@H](C)c2ccccc2)C1=O ZINC001560163717 938245631 /nfs/dbraw/zinc/24/56/31/938245631.db2.gz YZWWFTUKNFQNIE-NXHRZFHOSA-N 1 1 298.430 3.041 20 30 CGEDMO C#CC[N@@H+](CCCn1ccnc1)[C@@H]1CCCc2ccccc21 ZINC001560172032 938245889 /nfs/dbraw/zinc/24/58/89/938245889.db2.gz MIEWMGOLLCVAGM-LJQANCHMSA-N 1 1 293.414 3.286 20 30 CGEDMO C=CCCC[N@H+](CC)C[C@@H](O)c1ccc(F)cc1C ZINC001560204622 938247108 /nfs/dbraw/zinc/24/71/08/938247108.db2.gz SIPYMFRDGPQLLC-MRXNPFEDSA-N 1 1 265.372 3.456 20 30 CGEDMO C#CCC[N@H+](CCOC)C[C@@H](C)c1cccc(Cl)c1 ZINC001560945894 938285631 /nfs/dbraw/zinc/28/56/31/938285631.db2.gz MQDLJXGKEFFDBX-CQSZACIVSA-N 1 1 279.811 3.415 20 30 CGEDMO C=CCC[C@H](CCC)[NH2+][C@H](CC(=C)C)C(=O)OC ZINC001560967207 938286848 /nfs/dbraw/zinc/28/68/48/938286848.db2.gz AFBMETYKLJHRCA-UONOGXRCSA-N 1 1 253.386 3.219 20 30 CGEDMO CC#CC[N@H+](C)Cc1cc(F)cc(C(F)(F)F)c1 ZINC001561032915 938290555 /nfs/dbraw/zinc/29/05/55/938290555.db2.gz WEQWLTKZTNKTKA-UHFFFAOYSA-N 1 1 259.246 3.300 20 30 CGEDMO CC#CC[N@@H+](C)Cc1cc(F)cc(C(F)(F)F)c1 ZINC001561032915 938290557 /nfs/dbraw/zinc/29/05/57/938290557.db2.gz WEQWLTKZTNKTKA-UHFFFAOYSA-N 1 1 259.246 3.300 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)C1CC(C)(C)C1 ZINC001496696593 957721268 /nfs/dbraw/zinc/72/12/68/957721268.db2.gz NPDFYBYTVROIFO-CQSZACIVSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCCCC)C[C@@H]21 ZINC001222270901 960403953 /nfs/dbraw/zinc/40/39/53/960403953.db2.gz JKGWDIWFIIAWOW-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC1 ZINC001323673190 960436724 /nfs/dbraw/zinc/43/67/24/960436724.db2.gz MSLKSIHTZBRWKJ-SJORKVTESA-N 1 1 292.467 3.432 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)c1ccoc1CC)C(C)C ZINC001571612155 960469116 /nfs/dbraw/zinc/46/91/16/960469116.db2.gz ZNJNKAJSGZOTSL-UHFFFAOYSA-N 1 1 292.423 3.201 20 30 CGEDMO C#CCCCC(=O)NC[C@H]1CCC[N@@H+]1C[C@H](C)CC(C)C ZINC001567363270 960591283 /nfs/dbraw/zinc/59/12/83/960591283.db2.gz QEAXTMXLXJJDLC-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO CC#CC[N@@H+](CC)CCCNC(=O)C1(C)CCC(C)CC1 ZINC001566577455 960965412 /nfs/dbraw/zinc/96/54/12/960965412.db2.gz ZFPICBALAXAEKY-UHFFFAOYSA-N 1 1 292.467 3.054 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)C2CC=CC2)C1 ZINC001566736289 960999112 /nfs/dbraw/zinc/99/91/12/960999112.db2.gz SSKAUXFOOJJBRR-MRXNPFEDSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)C1CC1 ZINC001566925204 961056688 /nfs/dbraw/zinc/05/66/88/961056688.db2.gz CLKJYXBQUDEDQQ-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)=C1CCC1 ZINC001566921644 961063786 /nfs/dbraw/zinc/06/37/86/961063786.db2.gz PYKMGNVLBQOVPS-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C1CCCC1 ZINC001566916586 961065026 /nfs/dbraw/zinc/06/50/26/961065026.db2.gz PMYOROLNMUJOEG-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCC[N@H+]1CC1CCC1 ZINC001566924172 961065380 /nfs/dbraw/zinc/06/53/80/961065380.db2.gz IRZOWAJWDSIFSZ-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001566963636 961067980 /nfs/dbraw/zinc/06/79/80/961067980.db2.gz XDDAUZLQDZZOBU-HUUCEWRRSA-N 1 1 280.456 3.071 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CC(C)(C)CC)C1 ZINC001566962819 961071822 /nfs/dbraw/zinc/07/18/22/961071822.db2.gz MCNYORAKKQZXRQ-HOTGVXAUSA-N 1 1 292.467 3.053 20 30 CGEDMO CC[C@H](C)C[N@@H+](C)[C@@H]1CCCN(C(=O)C#CC(C)(C)C)C1 ZINC001567191482 961128666 /nfs/dbraw/zinc/12/86/66/961128666.db2.gz IPUYXSZXUQPWJV-JKSUJKDBSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)C(=C)C)C1 ZINC001567195963 961139642 /nfs/dbraw/zinc/13/96/42/961139642.db2.gz FTUBKALHGSIXAM-INIZCTEOSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@H]([N@H+](C)C[C@@H](F)CC)C2)C1 ZINC001567198364 961139870 /nfs/dbraw/zinc/13/98/70/961139870.db2.gz GVWOHANKOXRXKW-GJZGRUSLSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@H]([N@H+](C)CCCC)C1 ZINC001567199109 961140794 /nfs/dbraw/zinc/14/07/94/961140794.db2.gz SWCGURBGXHBIFM-DOTOQJQBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H]1CCCNC(=O)C=C1CCC1 ZINC001567247592 961157745 /nfs/dbraw/zinc/15/77/45/961157745.db2.gz MRYNXMNEIVUING-HNNXBMFYSA-N 1 1 296.842 3.210 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc(C)s1 ZINC001567269142 961160669 /nfs/dbraw/zinc/16/06/69/961160669.db2.gz KOAWDUJHYUZHMK-LBPRGKRZSA-N 1 1 280.437 3.073 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)[C@H]1CCCC[C@H]1C ZINC001567342681 961290319 /nfs/dbraw/zinc/29/03/19/961290319.db2.gz RKWVAUSWTMKWFQ-CVEARBPZSA-N 1 1 280.456 3.217 20 30 CGEDMO CCC/C=C/CC[N@@H+](CC)CCNC(=O)C#CC(C)(C)C ZINC001567331656 961291708 /nfs/dbraw/zinc/29/17/08/961291708.db2.gz DUNFYRAPABTHAD-MDZDMXLPSA-N 1 1 292.467 3.220 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)CC(CC)CC ZINC001567383612 961307925 /nfs/dbraw/zinc/30/79/25/961307925.db2.gz SMPHENHIYJPKPL-MRXNPFEDSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)C(C)(C)C)C1 ZINC001567732003 961419946 /nfs/dbraw/zinc/41/99/46/961419946.db2.gz UCRLJUDDUZEYBU-HZPDHXFCSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)C(C)(C)CC(C)(C)C)C1 ZINC001567818661 961436849 /nfs/dbraw/zinc/43/68/49/961436849.db2.gz OOWUYNWEGOFJRI-UHFFFAOYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCC(C)C ZINC001567863334 961444107 /nfs/dbraw/zinc/44/41/07/961444107.db2.gz ZHMQXBQBXVUSSP-HOTGVXAUSA-N 1 1 292.467 3.310 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H](C)C(CC)CC)C1 ZINC001567938597 961460204 /nfs/dbraw/zinc/46/02/04/961460204.db2.gz IWMKEAAMJGPNPZ-NVXWUHKLSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001567922718 961468277 /nfs/dbraw/zinc/46/82/77/961468277.db2.gz XZHAGEQVMSOODZ-HUUCEWRRSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)CCC(=O)N(CC)[C@H]1CC[N@H+](CCCC)C1 ZINC001567939224 961468304 /nfs/dbraw/zinc/46/83/04/961468304.db2.gz PKIZWRPSNMUALU-HNNXBMFYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)[C@H](C)c1ccccc1 ZINC001568502681 961592151 /nfs/dbraw/zinc/59/21/51/961592151.db2.gz OCXKCGDSPRXPPI-MRXNPFEDSA-N 1 1 288.435 3.147 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)C(CC)CC)CC[C@H]21 ZINC001568507283 961608863 /nfs/dbraw/zinc/60/88/63/961608863.db2.gz ATKOZCMQMFEEIZ-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)C)CC[C@@H]21 ZINC001568508381 961609591 /nfs/dbraw/zinc/60/95/91/961609591.db2.gz LHSIGYAFKHMAIC-SJORKVTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc(C2CC2)cc1 ZINC001569151258 961705241 /nfs/dbraw/zinc/70/52/41/961705241.db2.gz DOTNTIYRKQDUQH-CQSZACIVSA-N 1 1 286.419 3.190 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)CCC1CCCCC1 ZINC001569150452 961707467 /nfs/dbraw/zinc/70/74/67/961707467.db2.gz ZVJWCRFKJQGMBC-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)oc1C ZINC001569346082 961745569 /nfs/dbraw/zinc/74/55/69/961745569.db2.gz AXIOKEOTGGSMMV-IUODEOHRSA-N 1 1 290.407 3.055 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@H]1CC[N@H+]1CC1CCCCC1 ZINC001569369637 961751107 /nfs/dbraw/zinc/75/11/07/961751107.db2.gz IWFZBSWCNOTJJK-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC([C@@H]2CC[N@H+](CC)C2)CC1 ZINC001569434993 961766760 /nfs/dbraw/zinc/76/67/60/961766760.db2.gz XGPPEANBBZSSOI-MRXNPFEDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC[C@]2(C1)CCC[N@H+](C(C)C)C2 ZINC001569467562 961775654 /nfs/dbraw/zinc/77/56/54/961775654.db2.gz PJPAOGWPCFBVBH-FUHWJXTLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](C)C(CC)CC)C1 ZINC001569642770 961809667 /nfs/dbraw/zinc/80/96/67/961809667.db2.gz KVHAPDZTMBOETL-YOEHRIQHSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)C2CC2)C1 ZINC001569633165 961815764 /nfs/dbraw/zinc/81/57/64/961815764.db2.gz HIYXBEFBNMCDHP-QAPCUYQASA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)CC2(C)CCCC2)C1 ZINC001569712909 961829935 /nfs/dbraw/zinc/82/99/35/961829935.db2.gz FUFXCRGNYLIGRO-SFHVURJKSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)CC(C)C)C1 ZINC001569724505 961837991 /nfs/dbraw/zinc/83/79/91/961837991.db2.gz YHLDYUBRSHRKHT-SFHVURJKSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)C[C@@H](C)C2CC2)C1 ZINC001569725658 961838039 /nfs/dbraw/zinc/83/80/39/961838039.db2.gz DNYHPWXZVOEVCI-CRAIPNDOSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC1(C)CC1)C2 ZINC001569858981 961854459 /nfs/dbraw/zinc/85/44/59/961854459.db2.gz IAWIQTAZESDUTJ-MUJYYYPQSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)CC(C)(C)C2CC2)CC1 ZINC001570174812 961917716 /nfs/dbraw/zinc/91/77/16/961917716.db2.gz JUXQRKAJMZQYOA-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](C/C=C\Cl)CC1(C)C ZINC001570393246 961958548 /nfs/dbraw/zinc/95/85/48/961958548.db2.gz FKQQZUGBPMXVFY-VYLZPFMQSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[N@H+](CCC)CC1(C)C ZINC001570394278 961960749 /nfs/dbraw/zinc/96/07/49/961960749.db2.gz YYSXPSQBUVZZHP-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H](NC(=O)CCC=C)C(C)(C)C1 ZINC001570392217 961961480 /nfs/dbraw/zinc/96/14/80/961961480.db2.gz YWCJRDSMISDTTA-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCC1 ZINC001570525183 961984392 /nfs/dbraw/zinc/98/43/92/961984392.db2.gz AJUCBFKVVKATAI-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)/C=C\C(C)(C)C ZINC001570526385 961991139 /nfs/dbraw/zinc/99/11/39/961991139.db2.gz SPIPCBUAULXUSO-JNSOCZORSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)c1cc2cc(C)ccc2[nH]1 ZINC001570728815 962052686 /nfs/dbraw/zinc/05/26/86/962052686.db2.gz XBIYQQXWRDGUKW-CQSZACIVSA-N 1 1 299.418 3.103 20 30 CGEDMO CC(C)C#CC(=O)NC[C@H](C)[N@@H+](C)CCC1CCCCC1 ZINC001570709629 962064311 /nfs/dbraw/zinc/06/43/11/962064311.db2.gz SOKYJRDYIAWNIC-INIZCTEOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)C12CCC(CC1)CC2 ZINC001570752025 962075426 /nfs/dbraw/zinc/07/54/26/962075426.db2.gz UDBCOZIHOVQRBF-HJOIGYKYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)CC1CCCC1 ZINC001570815487 962092675 /nfs/dbraw/zinc/09/26/75/962092675.db2.gz DDEZLADFAQHHMY-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C1(CCC)CC1 ZINC001570824866 962095553 /nfs/dbraw/zinc/09/55/53/962095553.db2.gz HHWSUNUOMOFAMZ-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)CCCC)C(C)(C)C1 ZINC001570888519 962099895 /nfs/dbraw/zinc/09/98/95/962099895.db2.gz GCOWEDUKOSZSIE-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)[C@@H](CC)CC(C)C)C(C)(C)C1 ZINC001570907785 962106012 /nfs/dbraw/zinc/10/60/12/962106012.db2.gz OELBNARQUYCSLX-HOTGVXAUSA-N 1 1 294.483 3.461 20 30 CGEDMO C#Cc1ccc(C(=O)N2CCC([N@H+](C)CCCC)CC2)cc1 ZINC001571332692 962131211 /nfs/dbraw/zinc/13/12/11/962131211.db2.gz OOTQWXAGIKCTBQ-UHFFFAOYSA-N 1 1 298.430 3.004 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)[C@@H]2CC23CC3)CC1 ZINC001571334406 962134989 /nfs/dbraw/zinc/13/49/89/962134989.db2.gz XFWYPUCYBKUHFG-HOCLYGCPSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)C[C@H](C=C)CC)CC1 ZINC001571333385 962135037 /nfs/dbraw/zinc/13/50/37/962135037.db2.gz OSZBPBPLPXWOEL-MRXNPFEDSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)CCCC)[C@@H]1C ZINC001571515605 962170211 /nfs/dbraw/zinc/17/02/11/962170211.db2.gz ULFIGEGTWITITN-GJZGRUSLSA-N 1 1 266.429 3.112 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCC1=CC[N@@H+](C[C@@H](F)CC)CC1 ZINC001571694264 962208086 /nfs/dbraw/zinc/20/80/86/962208086.db2.gz CSWWLYKVIQVZHH-DOTOQJQBSA-N 1 1 296.430 3.085 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1csc(-c2nn[nH]n2)c1 ZINC001588594494 963281781 /nfs/dbraw/zinc/28/17/81/963281781.db2.gz UQXNFNYFORLERJ-UHFFFAOYSA-N 1 1 291.424 3.106 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000589823062 346813475 /nfs/dbraw/zinc/81/34/75/346813475.db2.gz XZAODFUPTSSFOW-IIAWOOMASA-N 1 1 257.381 3.404 20 30 CGEDMO CC[C@@H]1CC[C@@H](C)[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000124586182 187144217 /nfs/dbraw/zinc/14/42/17/187144217.db2.gz DDEIFFOHDUZALA-CZUORRHYSA-N 1 1 285.391 3.150 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]2c2ccncc2)c1 ZINC000125360502 187181118 /nfs/dbraw/zinc/18/11/18/187181118.db2.gz VHNHTLMLXONPDU-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H]2c2ccncc2)c1 ZINC000125360502 187181119 /nfs/dbraw/zinc/18/11/19/187181119.db2.gz VHNHTLMLXONPDU-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](c3ccccn3)C2)c1 ZINC000590600050 346853946 /nfs/dbraw/zinc/85/39/46/346853946.db2.gz JTRPUXFDJFWCFD-OAHLLOKOSA-N 1 1 295.361 3.472 20 30 CGEDMO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2noc(COC(C)C)n2)C1 ZINC000651814794 398291758 /nfs/dbraw/zinc/29/17/58/398291758.db2.gz LFWDTSJHVQHQBO-BFHYXJOUSA-N 1 1 293.411 3.390 20 30 CGEDMO CCn1ccnc1[C@@H](C)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000590778539 346875088 /nfs/dbraw/zinc/87/50/88/346875088.db2.gz ZWRSWASROVGWAI-WBMJQRKESA-N 1 1 280.375 3.113 20 30 CGEDMO C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)c2nccn21 ZINC000590778624 346875241 /nfs/dbraw/zinc/87/52/41/346875241.db2.gz KVCPWDKFLHYFOC-IINYFYTJSA-N 1 1 286.766 3.204 20 30 CGEDMO C[C@H](CCC#N)[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000591015565 346894600 /nfs/dbraw/zinc/89/46/00/346894600.db2.gz GSNSMIVMORASHR-HLTSFMKQSA-N 1 1 288.235 3.351 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000591015565 346894603 /nfs/dbraw/zinc/89/46/03/346894603.db2.gz GSNSMIVMORASHR-HLTSFMKQSA-N 1 1 288.235 3.351 20 30 CGEDMO CC[C@@]1(CO)CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439451335 529553418 /nfs/dbraw/zinc/55/34/18/529553418.db2.gz YEOUKBXNCURDNS-MRXNPFEDSA-N 1 1 292.810 3.196 20 30 CGEDMO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1cc2n(n1)CCC2 ZINC000591239669 346911076 /nfs/dbraw/zinc/91/10/76/346911076.db2.gz BYRDBDJOCUCMBG-STQMWFEESA-N 1 1 280.375 3.113 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@@H](O)CC23CCC3)cc1 ZINC000591480123 346926838 /nfs/dbraw/zinc/92/68/38/346926838.db2.gz OYVLZNYWMDARHF-QGZVFWFLSA-N 1 1 298.430 3.367 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H](C[NH3+])C1CCCC1 ZINC000591582519 346929975 /nfs/dbraw/zinc/92/99/75/346929975.db2.gz YMBPCRCTDTZLPI-ZWKOTPCHSA-N 1 1 283.419 3.043 20 30 CGEDMO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C#N)o1 ZINC000294998642 199292117 /nfs/dbraw/zinc/29/21/17/199292117.db2.gz LCQWIGYFSLVIMZ-ZJUUUORDSA-N 1 1 272.270 3.314 20 30 CGEDMO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)o1 ZINC000294998642 199292119 /nfs/dbraw/zinc/29/21/19/199292119.db2.gz LCQWIGYFSLVIMZ-ZJUUUORDSA-N 1 1 272.270 3.314 20 30 CGEDMO C[N@@H+]1CC[C@@H](NCc2ccccc2C#N)[C@@H]1c1ccccc1 ZINC000366989015 529795770 /nfs/dbraw/zinc/79/57/70/529795770.db2.gz VQNFAQCWGJVNAM-MOPGFXCFSA-N 1 1 291.398 3.093 20 30 CGEDMO C[N@H+]1CC[C@@H](NCc2ccccc2C#N)[C@@H]1c1ccccc1 ZINC000366989015 529795771 /nfs/dbraw/zinc/79/57/71/529795771.db2.gz VQNFAQCWGJVNAM-MOPGFXCFSA-N 1 1 291.398 3.093 20 30 CGEDMO Cc1cc([C@H](C)[NH2+]Cc2ccncc2C#N)c(C)s1 ZINC000592095397 346962747 /nfs/dbraw/zinc/96/27/47/346962747.db2.gz VOZJDYQJXKMMAR-NSHDSACASA-N 1 1 271.389 3.482 20 30 CGEDMO N#Cc1cnccc1C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000592067403 346958976 /nfs/dbraw/zinc/95/89/76/346958976.db2.gz OSIZKOPEYQDYSJ-HNNXBMFYSA-N 1 1 281.334 3.082 20 30 CGEDMO N#Cc1cnccc1C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000592067403 346958981 /nfs/dbraw/zinc/95/89/81/346958981.db2.gz OSIZKOPEYQDYSJ-HNNXBMFYSA-N 1 1 281.334 3.082 20 30 CGEDMO C[N@H+](CCc1ccc(Cl)cc1)Cc1ccncc1C#N ZINC000592069985 346959379 /nfs/dbraw/zinc/95/93/79/346959379.db2.gz DDJWZRWXFKSLRQ-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO C[N@@H+](CCc1ccc(Cl)cc1)Cc1ccncc1C#N ZINC000592069985 346959381 /nfs/dbraw/zinc/95/93/81/346959381.db2.gz DDJWZRWXFKSLRQ-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO C[N@H+](CCC1CCCCC1)Cc1ccncc1C#N ZINC000592066771 346959692 /nfs/dbraw/zinc/95/96/92/346959692.db2.gz QLLWATKMPMVYBR-UHFFFAOYSA-N 1 1 257.381 3.355 20 30 CGEDMO C[N@@H+](CCC1CCCCC1)Cc1ccncc1C#N ZINC000592066771 346959694 /nfs/dbraw/zinc/95/96/94/346959694.db2.gz QLLWATKMPMVYBR-UHFFFAOYSA-N 1 1 257.381 3.355 20 30 CGEDMO CCC(CC)C[N@H+](CCC#N)CCC[C@@H]1CCOC1 ZINC000592072160 346960716 /nfs/dbraw/zinc/96/07/16/346960716.db2.gz XUJVUQXMLRLSSG-MRXNPFEDSA-N 1 1 266.429 3.455 20 30 CGEDMO C[C@]1(c2ccc(F)cc2)CC[N@H+](Cc2ccncc2C#N)C1 ZINC000592121213 346964869 /nfs/dbraw/zinc/96/48/69/346964869.db2.gz PRISKIYDQDTFJT-SFHVURJKSA-N 1 1 295.361 3.256 20 30 CGEDMO C[C@]1(c2ccc(F)cc2)CC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592121213 346964872 /nfs/dbraw/zinc/96/48/72/346964872.db2.gz PRISKIYDQDTFJT-SFHVURJKSA-N 1 1 295.361 3.256 20 30 CGEDMO C[C@H]1CC2(C[N@H+]1Cc1cccc(C#N)c1F)CCOCC2 ZINC000592185101 346970067 /nfs/dbraw/zinc/97/00/67/346970067.db2.gz VVXAMLWLYRNTHN-ZDUSSCGKSA-N 1 1 288.366 3.088 20 30 CGEDMO C[C@@H]1CC2(C[N@H+]1Cc1cc(C#N)cs1)CCOCC2 ZINC000592528418 346996972 /nfs/dbraw/zinc/99/69/72/346996972.db2.gz RLAWLAZIRYRSJW-GFCCVEGCSA-N 1 1 276.405 3.011 20 30 CGEDMO CCC[N@H+](Cc1cc2n(n1)CCC2)Cc1ccc(C#N)cc1 ZINC000592999040 347025798 /nfs/dbraw/zinc/02/57/98/347025798.db2.gz JJOOPCGJOSZYDA-UHFFFAOYSA-N 1 1 294.402 3.113 20 30 CGEDMO CCC[N@@H+](Cc1cc2n(n1)CCC2)Cc1ccc(C#N)cc1 ZINC000592999040 347025800 /nfs/dbraw/zinc/02/58/00/347025800.db2.gz JJOOPCGJOSZYDA-UHFFFAOYSA-N 1 1 294.402 3.113 20 30 CGEDMO CCC[N@@H+](CCc1cncc(C)n1)Cc1ccc(C#N)cc1 ZINC000592999005 347026055 /nfs/dbraw/zinc/02/60/55/347026055.db2.gz IKWHDIHDPUUGQD-UHFFFAOYSA-N 1 1 294.402 3.111 20 30 CGEDMO C[C@@H]1C[N@H+](C[C@H](C#N)CCC#N)CCc2ccc(F)cc21 ZINC000593117514 347042200 /nfs/dbraw/zinc/04/22/00/347042200.db2.gz YFOGCGMHIYVNFP-KGLIPLIRSA-N 1 1 285.366 3.231 20 30 CGEDMO C[C@@H]1C[N@@H+](C[C@H](C#N)CCC#N)CCc2ccc(F)cc21 ZINC000593117514 347042201 /nfs/dbraw/zinc/04/22/01/347042201.db2.gz YFOGCGMHIYVNFP-KGLIPLIRSA-N 1 1 285.366 3.231 20 30 CGEDMO Cc1cc(C[N@H+]2CC[C@]3(CC3(F)F)C2)ccc1C#N ZINC000593119352 347042260 /nfs/dbraw/zinc/04/22/60/347042260.db2.gz WILCEYZBZLJKLA-AWEZNQCLSA-N 1 1 262.303 3.098 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1OC(F)F)CC1CCC1 ZINC000437151318 529984145 /nfs/dbraw/zinc/98/41/45/529984145.db2.gz FTGLMCIEMBOHDV-UHFFFAOYSA-N 1 1 280.318 3.392 20 30 CGEDMO CC[C@H](NCc1ccc(C[NH3+])cc1F)c1ccc(C#N)cc1 ZINC000593324463 347062936 /nfs/dbraw/zinc/06/29/36/347062936.db2.gz WNAXJMSPEQVWAR-SFHVURJKSA-N 1 1 297.377 3.397 20 30 CGEDMO C=CCOc1ccccc1CNC[C@H]1CC[N@H+](C(C)C)C1 ZINC000040622913 344963945 /nfs/dbraw/zinc/96/39/45/344963945.db2.gz YNYACXIKSFIFBI-MRXNPFEDSA-N 1 1 288.435 3.071 20 30 CGEDMO C=CC[NH+](CC=C)CC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000052869418 345109656 /nfs/dbraw/zinc/10/96/56/345109656.db2.gz UOKGXIBTKGXGPY-SFHVURJKSA-N 1 1 298.430 3.196 20 30 CGEDMO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cc(C#N)ccc1F ZINC000053907082 345126088 /nfs/dbraw/zinc/12/60/88/345126088.db2.gz BZAKRZKLOKCBKA-UHFFFAOYSA-N 1 1 298.317 3.058 20 30 CGEDMO C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc(C#N)ccc1F ZINC000053907082 345126093 /nfs/dbraw/zinc/12/60/93/345126093.db2.gz BZAKRZKLOKCBKA-UHFFFAOYSA-N 1 1 298.317 3.058 20 30 CGEDMO Cc1ccsc1C[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000061798591 345234442 /nfs/dbraw/zinc/23/44/42/345234442.db2.gz DDBNHDLSULBKQK-UHFFFAOYSA-N 1 1 286.400 3.439 20 30 CGEDMO C[C@@H](CNc1ccc(Cl)c(C#N)n1)[N@H+]1CCC[C@@H](C)C1 ZINC000067351263 345319451 /nfs/dbraw/zinc/31/94/51/345319451.db2.gz OAZVCKMILJYLEV-NEPJUHHUSA-N 1 1 292.814 3.139 20 30 CGEDMO CC[N@@H+](Cc1ccc(F)c2cccnc12)C[C@H](C)C#N ZINC000064248612 345258674 /nfs/dbraw/zinc/25/86/74/345258674.db2.gz WUBGCPVVTBGPFI-GFCCVEGCSA-N 1 1 271.339 3.355 20 30 CGEDMO CC[N@H+](Cc1ccc(F)c2cccnc12)C[C@H](C)C#N ZINC000064248612 345258678 /nfs/dbraw/zinc/25/86/78/345258678.db2.gz WUBGCPVVTBGPFI-GFCCVEGCSA-N 1 1 271.339 3.355 20 30 CGEDMO C[C@H](C#N)C[N@H+](C)CCCOc1cccc(Cl)c1 ZINC000065536598 345274234 /nfs/dbraw/zinc/27/42/34/345274234.db2.gz IGYNFEUTJBYUSQ-GFCCVEGCSA-N 1 1 266.772 3.200 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C)CCCOc1cccc(Cl)c1 ZINC000065536598 345274236 /nfs/dbraw/zinc/27/42/36/345274236.db2.gz IGYNFEUTJBYUSQ-GFCCVEGCSA-N 1 1 266.772 3.200 20 30 CGEDMO CC[N@H+](C)[C@H](C(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000068370586 345351214 /nfs/dbraw/zinc/35/12/14/345351214.db2.gz FAULWMUHFQJPOU-KRWDZBQOSA-N 1 1 293.370 3.190 20 30 CGEDMO CC[N@@H+](C)[C@H](C(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000068370586 345351215 /nfs/dbraw/zinc/35/12/15/345351215.db2.gz FAULWMUHFQJPOU-KRWDZBQOSA-N 1 1 293.370 3.190 20 30 CGEDMO C=C(C)C[NH2+][C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000273253699 192089036 /nfs/dbraw/zinc/08/90/36/192089036.db2.gz AUTHULKQFNTFTG-NSHDSACASA-N 1 1 275.327 3.411 20 30 CGEDMO C[N@H+](Cc1ccc(F)cc1C#N)[C@H](CCO)c1ccccc1 ZINC000075897439 345527501 /nfs/dbraw/zinc/52/75/01/345527501.db2.gz ZSEURAYQTWCKNI-GOSISDBHSA-N 1 1 298.361 3.253 20 30 CGEDMO C[N@@H+](Cc1ccc(F)cc1C#N)[C@H](CCO)c1ccccc1 ZINC000075897439 345527503 /nfs/dbraw/zinc/52/75/03/345527503.db2.gz ZSEURAYQTWCKNI-GOSISDBHSA-N 1 1 298.361 3.253 20 30 CGEDMO CCO[C@H]1CCC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000076403438 345542695 /nfs/dbraw/zinc/54/26/95/345542695.db2.gz QEPZXZDFYFCMEU-BBRMVZONSA-N 1 1 258.365 3.120 20 30 CGEDMO CCC[C@@H](C)[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075622802 345515556 /nfs/dbraw/zinc/51/55/56/345515556.db2.gz HDKBPAIBKSMDCZ-GFCCVEGCSA-N 1 1 284.363 3.229 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC(C)(C)C2)c1C#N ZINC000091071141 345803268 /nfs/dbraw/zinc/80/32/68/345803268.db2.gz AHLFEDUKGXSXNF-UHFFFAOYSA-N 1 1 294.402 3.284 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC(C)(C)C2)c1C#N ZINC000091071141 345803270 /nfs/dbraw/zinc/80/32/70/345803270.db2.gz AHLFEDUKGXSXNF-UHFFFAOYSA-N 1 1 294.402 3.284 20 30 CGEDMO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000093872133 345891625 /nfs/dbraw/zinc/89/16/25/345891625.db2.gz JQLZMLVUSDUSMM-ZWKOTPCHSA-N 1 1 294.402 3.000 20 30 CGEDMO Cc1nn(C)cc1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000093872133 345891629 /nfs/dbraw/zinc/89/16/29/345891629.db2.gz JQLZMLVUSDUSMM-ZWKOTPCHSA-N 1 1 294.402 3.000 20 30 CGEDMO Cc1nn(C)cc1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000093872134 345892288 /nfs/dbraw/zinc/89/22/88/345892288.db2.gz JQLZMLVUSDUSMM-ROUUACIJSA-N 1 1 294.402 3.000 20 30 CGEDMO Cc1nn(C)cc1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000093872134 345892290 /nfs/dbraw/zinc/89/22/90/345892290.db2.gz JQLZMLVUSDUSMM-ROUUACIJSA-N 1 1 294.402 3.000 20 30 CGEDMO C=CCCN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000132588168 346072505 /nfs/dbraw/zinc/07/25/05/346072505.db2.gz RINYYDPJJKMLMK-UHFFFAOYSA-N 1 1 250.430 3.151 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCN(CC(F)F)CC1 ZINC000193459891 346269417 /nfs/dbraw/zinc/26/94/17/346269417.db2.gz QEIWOYRYDGWXGY-UHFFFAOYSA-N 1 1 260.372 3.006 20 30 CGEDMO N#Cc1ccc(F)cc1C[NH+]1CCC2(CCC2)CC1 ZINC000308738136 346467876 /nfs/dbraw/zinc/46/78/76/346467876.db2.gz PBXDVAFMEOJRQL-UHFFFAOYSA-N 1 1 258.340 3.463 20 30 CGEDMO C=C(C)CN(C)c1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000624088362 349966987 /nfs/dbraw/zinc/96/69/87/349966987.db2.gz FOBIHVLPSBAOQC-UHFFFAOYSA-N 1 1 280.375 3.009 20 30 CGEDMO COc1cccc(Cl)c1C[NH+]1CCC(C)(C#N)CC1 ZINC000334341821 346494114 /nfs/dbraw/zinc/49/41/14/346494114.db2.gz JOXKARPEYGXJTL-UHFFFAOYSA-N 1 1 278.783 3.474 20 30 CGEDMO N#CC1(C[NH2+]Cc2nccc3ccccc32)CCCC1 ZINC000593653043 347099506 /nfs/dbraw/zinc/09/95/06/347099506.db2.gz YLYNDSCWTQFQJH-UHFFFAOYSA-N 1 1 265.360 3.408 20 30 CGEDMO N#CC1(C[NH2+]Cc2cc(Cl)cc3c2OCC3)CCCC1 ZINC000593653565 347100100 /nfs/dbraw/zinc/10/01/00/347100100.db2.gz QERKSCYPUVZLPK-UHFFFAOYSA-N 1 1 290.794 3.448 20 30 CGEDMO C=CC[N@H+](CCCC(=O)CC)Cc1cccc([N+](=O)[O-])c1 ZINC000450297300 346620021 /nfs/dbraw/zinc/62/00/21/346620021.db2.gz IKAVYGVMMLGKOW-UHFFFAOYSA-N 1 1 290.363 3.342 20 30 CGEDMO CC(C)O[C@H]1CCC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000404723335 346600882 /nfs/dbraw/zinc/60/08/82/346600882.db2.gz WDJSMGNFCLGJMN-HNNXBMFYSA-N 1 1 276.355 3.087 20 30 CGEDMO CC(C)O[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000404723335 346600884 /nfs/dbraw/zinc/60/08/84/346600884.db2.gz WDJSMGNFCLGJMN-HNNXBMFYSA-N 1 1 276.355 3.087 20 30 CGEDMO C[C@@H](C(=O)N(CCC#N)CC(C)(C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000412224181 346607564 /nfs/dbraw/zinc/60/75/64/346607564.db2.gz ZJDBRQJEBYTKOG-ZNMIVQPWSA-N 1 1 293.455 3.036 20 30 CGEDMO N#CCCCC[C@@H]([NH3+])c1nc(-c2ccc(F)c(F)c2)no1 ZINC000593941772 347121001 /nfs/dbraw/zinc/12/10/01/347121001.db2.gz BKMXICKZMQOUAV-GFCCVEGCSA-N 1 1 292.289 3.099 20 30 CGEDMO C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594606532 347202285 /nfs/dbraw/zinc/20/22/85/347202285.db2.gz IPBATKNSIYBFQP-CRAIPNDOSA-N 1 1 299.462 3.260 20 30 CGEDMO C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594606539 347202433 /nfs/dbraw/zinc/20/24/33/347202433.db2.gz IPBATKNSIYBFQP-YJBOKZPZSA-N 1 1 299.462 3.260 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@H](OC3CCC3)C2)c1 ZINC000594610731 347202831 /nfs/dbraw/zinc/20/28/31/347202831.db2.gz CAXXPHASEYNKBX-AWEZNQCLSA-N 1 1 276.405 3.153 20 30 CGEDMO C[C@H]1C[C@H](NC2(c3ccc(C#N)cc3)CCC2)CC[N@@H+]1C ZINC000594514732 347185071 /nfs/dbraw/zinc/18/50/71/347185071.db2.gz LCMOTHRWPMEIHR-WMLDXEAASA-N 1 1 283.419 3.010 20 30 CGEDMO C[C@H]1C[C@H](NC2(c3ccc(C#N)cc3)CCC2)CC[N@H+]1C ZINC000594514732 347185074 /nfs/dbraw/zinc/18/50/74/347185074.db2.gz LCMOTHRWPMEIHR-WMLDXEAASA-N 1 1 283.419 3.010 20 30 CGEDMO N#Cc1ccc(C2(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CCC2)cc1 ZINC000594517215 347186624 /nfs/dbraw/zinc/18/66/24/347186624.db2.gz IHJLMYJJLISFPQ-MSOLQXFVSA-N 1 1 295.430 3.154 20 30 CGEDMO N#Cc1ccc(C2(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CCC2)cc1 ZINC000594517215 347186628 /nfs/dbraw/zinc/18/66/28/347186628.db2.gz IHJLMYJJLISFPQ-MSOLQXFVSA-N 1 1 295.430 3.154 20 30 CGEDMO C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccn(C)n1 ZINC000594519072 347188166 /nfs/dbraw/zinc/18/81/66/347188166.db2.gz SOVQCMKEJCJSND-ZDUSSCGKSA-N 1 1 280.375 3.022 20 30 CGEDMO COc1cc(C[NH2+]CC2(C#N)CCCCC2)cc(OC)c1 ZINC000594995462 347252134 /nfs/dbraw/zinc/25/21/34/347252134.db2.gz RBJJAAGNVBXIBB-UHFFFAOYSA-N 1 1 288.391 3.267 20 30 CGEDMO Cc1[nH+]cn(Cc2ccc(C#N)cc2C(F)(F)F)c1C ZINC000594892565 347221501 /nfs/dbraw/zinc/22/15/01/347221501.db2.gz APLNNNZIMYSGBF-UHFFFAOYSA-N 1 1 279.265 3.439 20 30 CGEDMO N#Cc1csc(CN[C@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000594977992 347246780 /nfs/dbraw/zinc/24/67/80/347246780.db2.gz PJUHDWRRWHGBFL-AWEZNQCLSA-N 1 1 289.448 3.116 20 30 CGEDMO N#Cc1csc(C[NH2+][C@H]2CCN(C3CCCCC3)C2)c1 ZINC000594977992 347246782 /nfs/dbraw/zinc/24/67/82/347246782.db2.gz PJUHDWRRWHGBFL-AWEZNQCLSA-N 1 1 289.448 3.116 20 30 CGEDMO N#Cc1ccc(CN2CCC[N@@H+](CC3CC=CC3)CC2)cc1 ZINC000595288747 347286521 /nfs/dbraw/zinc/28/65/21/347286521.db2.gz LFXMRIIHBUYYCZ-UHFFFAOYSA-N 1 1 295.430 3.032 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1COC(C)(C)C1 ZINC000595292155 347287642 /nfs/dbraw/zinc/28/76/42/347287642.db2.gz ZRIOVNYEVIQAOW-INIZCTEOSA-N 1 1 272.392 3.338 20 30 CGEDMO CC[N@@H+](CCO[C@@H]1CC1(F)F)[C@H](C)c1ccc(C#N)cc1 ZINC000595294635 347288533 /nfs/dbraw/zinc/28/85/33/347288533.db2.gz AEKNGZIIGFRIFF-IUODEOHRSA-N 1 1 294.345 3.365 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CC[C@@H](c3ccco3)C2)cc1 ZINC000595316820 347291045 /nfs/dbraw/zinc/29/10/45/347291045.db2.gz KJDAQDGTVCTZBW-MRXNPFEDSA-N 1 1 266.344 3.183 20 30 CGEDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595609750 347326308 /nfs/dbraw/zinc/32/63/08/347326308.db2.gz ORGOEDXVXOAEOC-CHWSQXEVSA-N 1 1 273.336 3.281 20 30 CGEDMO COc1cccc(C[N@@H+]2CCC[C@H](CC#N)C2)c1Cl ZINC000595623602 347329210 /nfs/dbraw/zinc/32/92/10/347329210.db2.gz VGVPNHVNXFEWDU-GFCCVEGCSA-N 1 1 278.783 3.474 20 30 CGEDMO COc1cccc(C[N@H+]2CCC[C@H](CC#N)C2)c1Cl ZINC000595623602 347329212 /nfs/dbraw/zinc/32/92/12/347329212.db2.gz VGVPNHVNXFEWDU-GFCCVEGCSA-N 1 1 278.783 3.474 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccsc2C(=O)OC)C1 ZINC000595659489 347334172 /nfs/dbraw/zinc/33/41/72/347334172.db2.gz NLGYDLGDKOOUMZ-GFCCVEGCSA-N 1 1 279.405 3.323 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000595659029 347334434 /nfs/dbraw/zinc/33/44/34/347334434.db2.gz MAGBQOOMDGEFAI-INIZCTEOSA-N 1 1 276.424 3.375 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC2(CCC2)OC[C@H]1C ZINC000595680972 347336498 /nfs/dbraw/zinc/33/64/98/347336498.db2.gz JBZYACVHKJVHPZ-CQSZACIVSA-N 1 1 270.376 3.010 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)[C@H]1CCO ZINC000595690177 347338150 /nfs/dbraw/zinc/33/81/50/347338150.db2.gz WGGQRUZLEGZBNW-CVEARBPZSA-N 1 1 278.440 3.333 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](CCF)C2)cc1F ZINC000595754791 347350431 /nfs/dbraw/zinc/35/04/31/347350431.db2.gz CBHPELJHUDQGPQ-GFCCVEGCSA-N 1 1 264.319 3.269 20 30 CGEDMO N#CC1(CCC[N@@H+]2CCC[C@@H](CCF)C2)CCOCC1 ZINC000595755772 347351916 /nfs/dbraw/zinc/35/19/16/347351916.db2.gz QAUOWENTRJFNPY-HNNXBMFYSA-N 1 1 282.403 3.159 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)cc1 ZINC000595786864 347355993 /nfs/dbraw/zinc/35/59/93/347355993.db2.gz IAEBWGGPCSPINM-RTBURBONSA-N 1 1 298.430 3.382 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCCc3occc3C2)cc1 ZINC000595491444 347311383 /nfs/dbraw/zinc/31/13/83/347311383.db2.gz WRNWKDIOAVSBKB-UHFFFAOYSA-N 1 1 266.344 3.142 20 30 CGEDMO Cc1ccnc([C@@H]2CC[N@@H+](CCc3ccc(C#N)cc3)C2)c1 ZINC000595521143 347315181 /nfs/dbraw/zinc/31/51/81/347315181.db2.gz RSCAEAYKDNFNNN-GOSISDBHSA-N 1 1 291.398 3.294 20 30 CGEDMO N#Cc1ccc(C[N@@H+](C2CC2)C2(CO)CCC2)c(Cl)c1 ZINC000595533837 347316086 /nfs/dbraw/zinc/31/60/86/347316086.db2.gz ONWXPGJUHHPOCE-UHFFFAOYSA-N 1 1 290.794 3.091 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCC[C@@H](OC3CCC3)C2)cc1 ZINC000595559529 347319194 /nfs/dbraw/zinc/31/91/94/347319194.db2.gz FMESLVRPMZETNJ-GOSISDBHSA-N 1 1 284.403 3.134 20 30 CGEDMO CO[C@@H](C[N@@H+]1Cc2cccc(C#N)c2C1)C1CCCC1 ZINC000595561916 347319596 /nfs/dbraw/zinc/31/95/96/347319596.db2.gz QOFLHCGFKKLEIC-KRWDZBQOSA-N 1 1 270.376 3.079 20 30 CGEDMO CO[C@@H](C[N@H+]1Cc2cccc(C#N)c2C1)C1CCCC1 ZINC000595561916 347319597 /nfs/dbraw/zinc/31/95/97/347319597.db2.gz QOFLHCGFKKLEIC-KRWDZBQOSA-N 1 1 270.376 3.079 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](CCSC2CCCCC2)C1 ZINC000595840758 347365298 /nfs/dbraw/zinc/36/52/98/347365298.db2.gz DSLQKNABLWVRBT-CQSZACIVSA-N 1 1 252.427 3.288 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](CCSC2CCCCC2)C1 ZINC000595840758 347365300 /nfs/dbraw/zinc/36/53/00/347365300.db2.gz DSLQKNABLWVRBT-CQSZACIVSA-N 1 1 252.427 3.288 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1ccccc1C#N ZINC000595844167 347366222 /nfs/dbraw/zinc/36/62/22/347366222.db2.gz BGYUCRQJXPOBCM-IYBDPMFKSA-N 1 1 295.386 3.070 20 30 CGEDMO CC(C)(C)[N@H+]1CC[C@@H](CNc2cccc(F)c2C#N)C1 ZINC000596308425 347414048 /nfs/dbraw/zinc/41/40/48/347414048.db2.gz RWTLVDHABAZIQI-LBPRGKRZSA-N 1 1 275.371 3.230 20 30 CGEDMO N#CCc1ccc(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cc1 ZINC000595908871 347371459 /nfs/dbraw/zinc/37/14/59/347371459.db2.gz JBKBKMCHJUFEJT-KDURUIRLSA-N 1 1 296.414 3.145 20 30 CGEDMO CC1(C)C[C@@]1([NH2+]Cc1ccncc1C#N)c1ccccc1 ZINC000595908017 347371529 /nfs/dbraw/zinc/37/15/29/347371529.db2.gz DTEXSUVOWLMLPD-GOSISDBHSA-N 1 1 277.371 3.368 20 30 CGEDMO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000596598639 347486063 /nfs/dbraw/zinc/48/60/63/347486063.db2.gz JPVYOFLKGNGLOK-UHFFFAOYSA-N 1 1 298.365 3.005 20 30 CGEDMO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000596598639 347486065 /nfs/dbraw/zinc/48/60/65/347486065.db2.gz JPVYOFLKGNGLOK-UHFFFAOYSA-N 1 1 298.365 3.005 20 30 CGEDMO Cc1ccc(C#N)c(N[C@@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000596480457 347465604 /nfs/dbraw/zinc/46/56/04/347465604.db2.gz ZOOIHBLKGSWMQR-OAHLLOKOSA-N 1 1 284.407 3.081 20 30 CGEDMO Cc1cc(N2CC[C@](C)(C#N)C2)c2ccccc2[nH+]1 ZINC000596529395 347474860 /nfs/dbraw/zinc/47/48/60/347474860.db2.gz DYZGNBJTFKBQBZ-MRXNPFEDSA-N 1 1 251.333 3.283 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000597174740 347544461 /nfs/dbraw/zinc/54/44/61/347544461.db2.gz UNFMGSSRGLAHPH-AWEZNQCLSA-N 1 1 280.375 3.202 20 30 CGEDMO CC[N@@H+](C)C[C@H]1CCN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597018499 347528290 /nfs/dbraw/zinc/52/82/90/347528290.db2.gz FKGBLIZBFPWSSO-QGZVFWFLSA-N 1 1 297.446 3.015 20 30 CGEDMO CC(C)[C@H]1CC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597039244 347530320 /nfs/dbraw/zinc/53/03/20/347530320.db2.gz URLYFDVBAFBXDO-MRXNPFEDSA-N 1 1 254.377 3.472 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000597178009 347545388 /nfs/dbraw/zinc/54/53/88/347545388.db2.gz TVNZFGZCYZDOOJ-LBPRGKRZSA-N 1 1 275.421 3.148 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000597178009 347545389 /nfs/dbraw/zinc/54/53/89/347545389.db2.gz TVNZFGZCYZDOOJ-LBPRGKRZSA-N 1 1 275.421 3.148 20 30 CGEDMO COC[C@@H]1CCCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597089235 347535529 /nfs/dbraw/zinc/53/55/29/347535529.db2.gz WDNCAYBIZZAZMN-QGZVFWFLSA-N 1 1 298.430 3.490 20 30 CGEDMO CC[C@@]1(C)C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000597111852 347536421 /nfs/dbraw/zinc/53/64/21/347536421.db2.gz VCXQYSLRVAEIKZ-KRWDZBQOSA-N 1 1 284.403 3.243 20 30 CGEDMO CC[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1CCCOC1 ZINC000597156924 347541609 /nfs/dbraw/zinc/54/16/09/347541609.db2.gz CLAWBYUYGQGMBA-QGZVFWFLSA-N 1 1 284.403 3.243 20 30 CGEDMO Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000597173650 347543081 /nfs/dbraw/zinc/54/30/81/347543081.db2.gz LNMUXQXEAVJXGP-MRXNPFEDSA-N 1 1 294.402 3.306 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cc1C ZINC000597172514 347543112 /nfs/dbraw/zinc/54/31/12/347543112.db2.gz BVDNHDCMVOPAPL-CQSZACIVSA-N 1 1 258.365 3.129 20 30 CGEDMO N#CCCCOc1cccc(C[N@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000597222748 347556924 /nfs/dbraw/zinc/55/69/24/347556924.db2.gz HAOAHDFVJUVOEN-HOTGVXAUSA-N 1 1 270.376 3.211 20 30 CGEDMO Cc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)c(-c2ccnn2C)c1 ZINC000597232884 347559821 /nfs/dbraw/zinc/55/98/21/347559821.db2.gz XPWNMSXRBFAOBU-SFHVURJKSA-N 1 1 294.402 3.131 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)c(-c2ccnn2C)c1 ZINC000597232884 347559826 /nfs/dbraw/zinc/55/98/26/347559826.db2.gz XPWNMSXRBFAOBU-SFHVURJKSA-N 1 1 294.402 3.131 20 30 CGEDMO C[C@@H](CCc1ccccc1)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597232037 347560186 /nfs/dbraw/zinc/56/01/86/347560186.db2.gz RCCPQUAVGLPXHT-RDJZCZTQSA-N 1 1 256.393 3.491 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)o2)CCc2ccccc21 ZINC000597183897 347546562 /nfs/dbraw/zinc/54/65/62/347546562.db2.gz YNSHHQAEHRLGLH-UHFFFAOYSA-N 1 1 280.371 3.487 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CC(C)(C)CC[C@@H]1CO ZINC000598646529 347674867 /nfs/dbraw/zinc/67/48/67/347674867.db2.gz GJCGOTYUAWMPEV-CQSZACIVSA-N 1 1 266.429 3.189 20 30 CGEDMO C[C@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1ccc(C#N)cc1F ZINC000599068611 347714151 /nfs/dbraw/zinc/71/41/51/347714151.db2.gz AEENWWPTIXENEO-ZFWWWQNUSA-N 1 1 289.398 3.080 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000598584963 347666086 /nfs/dbraw/zinc/66/60/86/347666086.db2.gz LCIHYZDGBBKWSF-JKSUJKDBSA-N 1 1 272.392 3.124 20 30 CGEDMO C[C@@H]1CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)[C@@H](c2ccco2)C1 ZINC000598594315 347668435 /nfs/dbraw/zinc/66/84/35/347668435.db2.gz FROQVICJEVQFIS-QLFBSQMISA-N 1 1 290.407 3.353 20 30 CGEDMO CC(C)CC[C@@H]1CCC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598593050 347668656 /nfs/dbraw/zinc/66/86/56/347668656.db2.gz ONGHCIPVNZIATC-LSDHHAIUSA-N 1 1 266.429 3.188 20 30 CGEDMO CC(C)C[C@H]1CCCC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598598372 347669381 /nfs/dbraw/zinc/66/93/81/347669381.db2.gz QKTYUVYLYHWBTG-CABCVRRESA-N 1 1 266.429 3.188 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCc2ccccc2C1(C)C ZINC000598601760 347670025 /nfs/dbraw/zinc/67/00/25/347670025.db2.gz VWSZNAGXWZLDKE-OAHLLOKOSA-N 1 1 286.419 3.081 20 30 CGEDMO CC[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@@H]1CCCC[C@@H]1C ZINC000598608393 347670748 /nfs/dbraw/zinc/67/07/48/347670748.db2.gz RCZUYDZQDHZMIV-RRFJBIMHSA-N 1 1 266.429 3.188 20 30 CGEDMO C[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000598623100 347672356 /nfs/dbraw/zinc/67/23/56/347672356.db2.gz VBTQNDQKDIGSAS-QLFBSQMISA-N 1 1 280.456 3.434 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC(C)(C)CC(C)(C)C1 ZINC000598627663 347673105 /nfs/dbraw/zinc/67/31/05/347673105.db2.gz VJRXAKMDTNFWKJ-CQSZACIVSA-N 1 1 280.456 3.435 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCCC3(CC3)CC2)c1 ZINC000599673638 347764003 /nfs/dbraw/zinc/76/40/03/347764003.db2.gz RXMLKGICKCISQK-UHFFFAOYSA-N 1 1 258.340 3.463 20 30 CGEDMO COc1ccc([C@H]2CC[N@H+]([C@H](C)CCC#N)C2)cc1F ZINC000599680558 347764823 /nfs/dbraw/zinc/76/48/23/347764823.db2.gz RXOARYVCYQVHDQ-OCCSQVGLSA-N 1 1 276.355 3.316 20 30 CGEDMO N#CCc1cccc2c1CC[N@H+](C[C@H](O)CC1CCCC1)C2 ZINC000599679159 347765212 /nfs/dbraw/zinc/76/52/12/347765212.db2.gz WSWORBWLKQUVAS-GOSISDBHSA-N 1 1 298.430 3.052 20 30 CGEDMO COC1(CC[N@H+]2CCc3c(CC#N)cccc3C2)CCC1 ZINC000599678986 347765267 /nfs/dbraw/zinc/76/52/67/347765267.db2.gz UYBPWDPFPUJXSX-UHFFFAOYSA-N 1 1 284.403 3.070 20 30 CGEDMO COC[C@@H](C)[N@@H+](CC1(C#N)CC1)[C@@H]1CCc2ccccc21 ZINC000599684244 347765966 /nfs/dbraw/zinc/76/59/66/347765966.db2.gz XHOWIDHHYGPVIR-RHSMWYFYSA-N 1 1 284.403 3.315 20 30 CGEDMO Cc1cc(C2CC[NH+](Cc3ccc(C)c(C#N)c3)CC2)n[nH]1 ZINC000599344675 347737685 /nfs/dbraw/zinc/73/76/85/347737685.db2.gz HTPFACKPINEPPU-UHFFFAOYSA-N 1 1 294.402 3.278 20 30 CGEDMO Cc1ccc(C[N@H+]2CCSC[C@H]2C2CC2)cc1C#N ZINC000599432709 347744726 /nfs/dbraw/zinc/74/47/26/347744726.db2.gz ANWYJDJMHNBCJV-INIZCTEOSA-N 1 1 272.417 3.194 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2nc([C@@H](C)SCC)no2)C1 ZINC000599526845 347750728 /nfs/dbraw/zinc/75/07/28/347750728.db2.gz UYPLYNIWZVTCRU-VXGBXAGGSA-N 1 1 281.425 3.282 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2nc([C@@H](C)SCC)no2)C1 ZINC000599526845 347750731 /nfs/dbraw/zinc/75/07/31/347750731.db2.gz UYPLYNIWZVTCRU-VXGBXAGGSA-N 1 1 281.425 3.282 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCc2c(O)cccc2C1 ZINC000599647004 347761422 /nfs/dbraw/zinc/76/14/22/347761422.db2.gz NYNBUMMWVSUVNM-UHFFFAOYSA-N 1 1 278.355 3.131 20 30 CGEDMO N#CCc1cccc2c1CC[N@@H+](C[C@@H]1CC=CCC1)C2 ZINC000600213603 347793849 /nfs/dbraw/zinc/79/38/49/347793849.db2.gz WYWYGWAZXCWXLH-OAHLLOKOSA-N 1 1 266.388 3.467 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+]Cc1ccnc(-c2ccccc2)c1 ZINC000600616761 347814633 /nfs/dbraw/zinc/81/46/33/347814633.db2.gz CIOAFWNTEWMFPD-MRXNPFEDSA-N 1 1 290.370 3.282 20 30 CGEDMO Cc1ncc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)o1 ZINC000600164316 347787251 /nfs/dbraw/zinc/78/72/51/347787251.db2.gz HOYOROPQRLMKQS-NSHDSACASA-N 1 1 255.321 3.048 20 30 CGEDMO Cc1ncc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)o1 ZINC000600164316 347787254 /nfs/dbraw/zinc/78/72/54/347787254.db2.gz HOYOROPQRLMKQS-NSHDSACASA-N 1 1 255.321 3.048 20 30 CGEDMO C[N@H+]1CCN(Cc2cccc(F)c2C#N)c2ccccc2C1 ZINC000600847053 347840719 /nfs/dbraw/zinc/84/07/19/347840719.db2.gz OYXXVGYWSCCEED-UHFFFAOYSA-N 1 1 295.361 3.149 20 30 CGEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2cccc(C#N)n2)cc1 ZINC000602425635 347955987 /nfs/dbraw/zinc/95/59/87/347955987.db2.gz SDGKVHZWAOIYJC-GOSISDBHSA-N 1 1 293.370 3.299 20 30 CGEDMO CC[N@@H+](C[C@H](C)CCC#N)C[C@H]1COc2ccccc2O1 ZINC000602433967 347957220 /nfs/dbraw/zinc/95/72/20/347957220.db2.gz NBLWVUNAEOQBRJ-CABCVRRESA-N 1 1 288.391 3.088 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000602444222 347958984 /nfs/dbraw/zinc/95/89/84/347958984.db2.gz ZGTWKMXWZIFHKC-CZUORRHYSA-N 1 1 276.355 3.139 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000602444222 347958988 /nfs/dbraw/zinc/95/89/88/347958988.db2.gz ZGTWKMXWZIFHKC-CZUORRHYSA-N 1 1 276.355 3.139 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000602450851 347960157 /nfs/dbraw/zinc/96/01/57/347960157.db2.gz KVWOKFJOAISEND-STQMWFEESA-N 1 1 264.394 3.061 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000602457739 347960995 /nfs/dbraw/zinc/96/09/95/347960995.db2.gz CRFZTSQPZQGYJG-ZFWWWQNUSA-N 1 1 286.375 3.492 20 30 CGEDMO CC[C@H](C)[C@@H](C)[N@@H+](Cc1cccc(C#N)n1)C1CC1 ZINC000602465379 347962990 /nfs/dbraw/zinc/96/29/90/347962990.db2.gz QCHYXUDKEIQFTJ-QWHCGFSZSA-N 1 1 257.381 3.352 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000602468870 347963798 /nfs/dbraw/zinc/96/37/98/347963798.db2.gz NWJFNYRRRTWNOR-CRAIPNDOSA-N 1 1 286.419 3.298 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000602468873 347963922 /nfs/dbraw/zinc/96/39/22/347963922.db2.gz NWJFNYRRRTWNOR-QAPCUYQASA-N 1 1 286.419 3.298 20 30 CGEDMO Cc1cc([C@@H]2C[N@H+](C[C@H](C)CCC#N)CCO2)ccc1F ZINC000602477786 347964641 /nfs/dbraw/zinc/96/46/41/347964641.db2.gz UEWZOLGQOROECD-DYVFJYSZSA-N 1 1 290.382 3.447 20 30 CGEDMO Cc1cc([C@@H]2C[N@@H+](C[C@H](C)CCC#N)CCO2)ccc1F ZINC000602477786 347964644 /nfs/dbraw/zinc/96/46/44/347964644.db2.gz UEWZOLGQOROECD-DYVFJYSZSA-N 1 1 290.382 3.447 20 30 CGEDMO CC[N@@H+](C[C@@H](C)CCC#N)[C@H]1CCN(c2ccccc2)C1=O ZINC000602477277 347964856 /nfs/dbraw/zinc/96/48/56/347964856.db2.gz ZZDSAVSQSFPALJ-RDJZCZTQSA-N 1 1 299.418 3.054 20 30 CGEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](C)CCC#N)C12CCC2 ZINC000602482391 347967254 /nfs/dbraw/zinc/96/72/54/347967254.db2.gz GBVSETUIMIMKMX-RRFJBIMHSA-N 1 1 264.413 3.206 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000602483556 347967290 /nfs/dbraw/zinc/96/72/90/347967290.db2.gz MPSAMWGGNFVFOR-CKNLXJGOSA-N 1 1 292.448 3.357 20 30 CGEDMO C[C@H](C#N)CN[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602607473 347993005 /nfs/dbraw/zinc/99/30/05/347993005.db2.gz LBCGKHVMNNVYRB-QGPMSJSTSA-N 1 1 283.419 3.104 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000602623227 347996014 /nfs/dbraw/zinc/99/60/14/347996014.db2.gz WLVXTQMBBSKLJC-MAUKXSAKSA-N 1 1 284.403 3.448 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccccc2CC(F)(F)F)CC1 ZINC000602642389 348000021 /nfs/dbraw/zinc/00/00/21/348000021.db2.gz LCCCLMZWWZKHGF-UHFFFAOYSA-N 1 1 268.282 3.185 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000602663290 348003495 /nfs/dbraw/zinc/00/34/95/348003495.db2.gz SEKJYXYIQCCBAS-YSHGAJCASA-N 1 1 298.430 3.431 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000602694278 348010799 /nfs/dbraw/zinc/01/07/99/348010799.db2.gz YVHUBPCRESFQTQ-GOEBONIOSA-N 1 1 276.424 3.207 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000602708310 348014222 /nfs/dbraw/zinc/01/42/22/348014222.db2.gz ZLLQYJRSSNYYNS-IAGOWNOFSA-N 1 1 283.419 3.139 20 30 CGEDMO N#CCC1(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000602786954 348029310 /nfs/dbraw/zinc/02/93/10/348029310.db2.gz XZXOMNSDRNLVNX-UHFFFAOYSA-N 1 1 285.347 3.253 20 30 CGEDMO CC[N@@H+](CCOc1ccccc1OC)C[C@H](C)CCC#N ZINC000602722104 348017197 /nfs/dbraw/zinc/01/71/97/348017197.db2.gz MJVPOGZLXOVBHQ-OAHLLOKOSA-N 1 1 290.407 3.336 20 30 CGEDMO N#CCC1(C[N@H+](Cc2cccs2)C[C@H]2CCCO2)CC1 ZINC000602766427 348025146 /nfs/dbraw/zinc/02/51/46/348025146.db2.gz JOJLGWNWWAHMGN-CQSZACIVSA-N 1 1 290.432 3.423 20 30 CGEDMO N#CCC1(C[N@@H+]2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000602791345 348030345 /nfs/dbraw/zinc/03/03/45/348030345.db2.gz FQEAEYNNZLGJFI-UHFFFAOYSA-N 1 1 265.360 3.220 20 30 CGEDMO N#CCC1(C[N@H+]2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000602791345 348030349 /nfs/dbraw/zinc/03/03/49/348030349.db2.gz FQEAEYNNZLGJFI-UHFFFAOYSA-N 1 1 265.360 3.220 20 30 CGEDMO Cc1ccc([C@@H]2CC[N@@H+](CC3(CC#N)CC3)C2)cc1 ZINC000602803727 348031333 /nfs/dbraw/zinc/03/13/33/348031333.db2.gz FYPRHBGGPVASAH-MRXNPFEDSA-N 1 1 254.377 3.478 20 30 CGEDMO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1CC1(CC#N)CC1 ZINC000602807189 348032472 /nfs/dbraw/zinc/03/24/72/348032472.db2.gz QUMIKHNMXVWSFK-MNOVXSKESA-N 1 1 260.303 3.343 20 30 CGEDMO N#CCC1(C[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)CC1 ZINC000602809831 348032567 /nfs/dbraw/zinc/03/25/67/348032567.db2.gz QNFLEWIFEXDMEH-KRWDZBQOSA-N 1 1 284.403 3.014 20 30 CGEDMO N#CCC1(C[N@H+]2CCO[C@@H](CCc3ccccc3)C2)CC1 ZINC000602809831 348032572 /nfs/dbraw/zinc/03/25/72/348032572.db2.gz QNFLEWIFEXDMEH-KRWDZBQOSA-N 1 1 284.403 3.014 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000602857713 348037618 /nfs/dbraw/zinc/03/76/18/348037618.db2.gz YJOFZOJTDFMVAW-GOSISDBHSA-N 1 1 277.371 3.333 20 30 CGEDMO C[C@@H]1C[NH+](Cc2cccc(C(F)F)c2)C[C@@H](C)N1CC#N ZINC000602854731 348037664 /nfs/dbraw/zinc/03/76/64/348037664.db2.gz QTHIAQXIODUDNQ-CHWSQXEVSA-N 1 1 293.361 3.042 20 30 CGEDMO CCN1[C@H](C)C[N@H+](CCCCC(C)(C)C#N)C[C@@H]1C ZINC000602875159 348039756 /nfs/dbraw/zinc/03/97/56/348039756.db2.gz WXFWKESCJXIAJD-GASCZTMLSA-N 1 1 265.445 3.121 20 30 CGEDMO CC[N@H+]1[C@H](C)CN(CCCCC(C)(C)C#N)C[C@@H]1C ZINC000602875159 348039760 /nfs/dbraw/zinc/03/97/60/348039760.db2.gz WXFWKESCJXIAJD-GASCZTMLSA-N 1 1 265.445 3.121 20 30 CGEDMO CC[N@@H+]1[C@H](C)CN(CCCCC(C)(C)C#N)C[C@@H]1C ZINC000602875159 348039762 /nfs/dbraw/zinc/03/97/62/348039762.db2.gz WXFWKESCJXIAJD-GASCZTMLSA-N 1 1 265.445 3.121 20 30 CGEDMO CCOc1ccc(OCC[N@H+](C)[C@@H]2CCC[C@H]2C#N)cc1 ZINC000602974895 348048518 /nfs/dbraw/zinc/04/85/18/348048518.db2.gz VPEUCMBLKCFACV-WMLDXEAASA-N 1 1 288.391 3.088 20 30 CGEDMO CCOc1ccc(OCC[N@@H+](C)[C@@H]2CCC[C@H]2C#N)cc1 ZINC000602974895 348048520 /nfs/dbraw/zinc/04/85/20/348048520.db2.gz VPEUCMBLKCFACV-WMLDXEAASA-N 1 1 288.391 3.088 20 30 CGEDMO C[N@@H+](CCCCOC(C)(C)C)[C@@H]1CCC[C@H]1C#N ZINC000602979181 348049955 /nfs/dbraw/zinc/04/99/55/348049955.db2.gz ATEJOMYJCOYYHC-UONOGXRCSA-N 1 1 252.402 3.206 20 30 CGEDMO CO[C@H](C[N@H+](C)[C@H]1CCC[C@H]1C#N)c1ccc(F)cc1 ZINC000602981314 348051261 /nfs/dbraw/zinc/05/12/61/348051261.db2.gz BFYMHVYAGFXZMZ-CWRNSKLLSA-N 1 1 276.355 3.137 20 30 CGEDMO CO[C@H](C[N@@H+](C)[C@H]1CCC[C@H]1C#N)c1ccc(F)cc1 ZINC000602981314 348051264 /nfs/dbraw/zinc/05/12/64/348051264.db2.gz BFYMHVYAGFXZMZ-CWRNSKLLSA-N 1 1 276.355 3.137 20 30 CGEDMO C[N@@H+](C[C@@H]1CCCCC1(F)F)[C@H]1CCC[C@@H]1C#N ZINC000602981932 348051493 /nfs/dbraw/zinc/05/14/93/348051493.db2.gz LOQUWTHSLCXAEV-AGIUHOORSA-N 1 1 256.340 3.436 20 30 CGEDMO C[N@H+](CCC1(C#N)CCCCC1)[C@@H]1CCC[C@H]1C#N ZINC000602982602 348052498 /nfs/dbraw/zinc/05/24/98/348052498.db2.gz VEGAIWQXZZZISD-LSDHHAIUSA-N 1 1 259.397 3.475 20 30 CGEDMO C[N@@H+](CCC1(C#N)CCCCC1)[C@@H]1CCC[C@H]1C#N ZINC000602982602 348052499 /nfs/dbraw/zinc/05/24/99/348052499.db2.gz VEGAIWQXZZZISD-LSDHHAIUSA-N 1 1 259.397 3.475 20 30 CGEDMO N#CCC[C@H](C#N)C[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC000602999975 348054021 /nfs/dbraw/zinc/05/40/21/348054021.db2.gz QFMDMFYPKZGQGL-ZBFHGGJFSA-N 1 1 259.397 3.332 20 30 CGEDMO CC#CC[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000607725976 348258080 /nfs/dbraw/zinc/25/80/80/348258080.db2.gz YRDZNTVKOWLCAQ-UHFFFAOYSA-N 1 1 271.360 3.183 20 30 CGEDMO Cc1cc(C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)c(C)s1 ZINC000609538110 348346654 /nfs/dbraw/zinc/34/66/54/348346654.db2.gz METXATSBQNQWGX-INIZCTEOSA-N 1 1 291.464 3.031 20 30 CGEDMO N#CCSCCC[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000610409914 348381425 /nfs/dbraw/zinc/38/14/25/348381425.db2.gz RCLLVBXYJLVMCK-INIZCTEOSA-N 1 1 290.432 3.097 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@H](Cc3ccccc3)C2)ccn1 ZINC000610993369 348415214 /nfs/dbraw/zinc/41/52/14/348415214.db2.gz OLCISCCGEGXTHN-QGZVFWFLSA-N 1 1 277.371 3.018 20 30 CGEDMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2ccnc(C#N)c2)C1 ZINC000610993966 348415944 /nfs/dbraw/zinc/41/59/44/348415944.db2.gz OUBHEHMPSZYDHZ-CABCVRRESA-N 1 1 275.421 3.059 20 30 CGEDMO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccnc(C#N)c1)CCC2 ZINC000610994524 348416264 /nfs/dbraw/zinc/41/62/64/348416264.db2.gz GNJFFZARQOXQKQ-HNNXBMFYSA-N 1 1 298.415 3.228 20 30 CGEDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccnc(C#N)c1)CCC2 ZINC000610994524 348416268 /nfs/dbraw/zinc/41/62/68/348416268.db2.gz GNJFFZARQOXQKQ-HNNXBMFYSA-N 1 1 298.415 3.228 20 30 CGEDMO Cc1cc(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)ccc1C#N ZINC000351968480 219269922 /nfs/dbraw/zinc/26/99/22/219269922.db2.gz QSGAROBIFXTZQV-IAGOWNOFSA-N 1 1 284.403 3.256 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@H](c3ccco3)C2)c1F ZINC000611371798 348441591 /nfs/dbraw/zinc/44/15/91/348441591.db2.gz XIKCDIYYOYGEAS-ZDUSSCGKSA-N 1 1 270.307 3.280 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2NCC[NH+]1CCCCCC1 ZINC000611390715 348444527 /nfs/dbraw/zinc/44/45/27/348444527.db2.gz QGAQZVLCKYSCGJ-IBGZPJMESA-N 1 1 297.446 3.401 20 30 CGEDMO CCC[C@H](C[N@@H+](CCC#N)CCOC)c1ccccc1 ZINC000611413655 348449612 /nfs/dbraw/zinc/44/96/12/348449612.db2.gz KEKMXQOMRMBFAZ-QGZVFWFLSA-N 1 1 274.408 3.432 20 30 CGEDMO CCC[C@H](C[N@H+](CCC#N)CCOC)c1ccccc1 ZINC000611413655 348449616 /nfs/dbraw/zinc/44/96/16/348449616.db2.gz KEKMXQOMRMBFAZ-QGZVFWFLSA-N 1 1 274.408 3.432 20 30 CGEDMO Cc1ccnc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1C#N ZINC000273391575 192136544 /nfs/dbraw/zinc/13/65/44/192136544.db2.gz UYPOTLJVGXFWBZ-DLBZAZTESA-N 1 1 292.386 3.119 20 30 CGEDMO COc1ccccc1CCC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612162107 348498578 /nfs/dbraw/zinc/49/85/78/348498578.db2.gz ZLHRAWRPGSSTGM-QGZVFWFLSA-N 1 1 272.392 3.253 20 30 CGEDMO COc1ccccc1CCC[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612162107 348498581 /nfs/dbraw/zinc/49/85/81/348498581.db2.gz ZLHRAWRPGSSTGM-QGZVFWFLSA-N 1 1 272.392 3.253 20 30 CGEDMO C[C@@H](CC#N)[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000612584738 348530465 /nfs/dbraw/zinc/53/04/65/348530465.db2.gz YEJLIINTRHQVNV-JTQLQIEISA-N 1 1 259.740 3.280 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1cc(F)cc2cccnc21 ZINC000612585130 348530610 /nfs/dbraw/zinc/53/06/10/348530610.db2.gz PFYMJFVTUGLTRQ-UHFFFAOYSA-N 1 1 257.312 3.013 20 30 CGEDMO CC(C)(C)OC(=O)c1cccc(C[NH2+]CC(C)(C)C#N)c1 ZINC000612584970 348530685 /nfs/dbraw/zinc/53/06/85/348530685.db2.gz KYIKTDGLAYRWFR-UHFFFAOYSA-N 1 1 288.391 3.281 20 30 CGEDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1Nc1nc(C(C)(C)C)ccc1C#N ZINC000613429518 348601873 /nfs/dbraw/zinc/60/18/73/348601873.db2.gz MFOLMHMUCNKADS-WFASDCNBSA-N 1 1 298.434 3.145 20 30 CGEDMO C[C@@H](CC#N)[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614171521 348654510 /nfs/dbraw/zinc/65/45/10/348654510.db2.gz NIFUGYHBEQFLEZ-ZDUSSCGKSA-N 1 1 255.365 3.222 20 30 CGEDMO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614171521 348654513 /nfs/dbraw/zinc/65/45/13/348654513.db2.gz NIFUGYHBEQFLEZ-ZDUSSCGKSA-N 1 1 255.365 3.222 20 30 CGEDMO CO[C@@]1(C(F)(F)F)CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000615141417 348717472 /nfs/dbraw/zinc/71/74/72/348717472.db2.gz WZJYKFYGYIPXRU-ZDUSSCGKSA-N 1 1 292.345 3.360 20 30 CGEDMO CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2C)C[C@H]1C ZINC000614402305 348674093 /nfs/dbraw/zinc/67/40/93/348674093.db2.gz RBOOHSBEHIPKJV-QAPCUYQASA-N 1 1 285.435 3.171 20 30 CGEDMO CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2C)C[C@H]1C ZINC000614402305 348674096 /nfs/dbraw/zinc/67/40/96/348674096.db2.gz RBOOHSBEHIPKJV-QAPCUYQASA-N 1 1 285.435 3.171 20 30 CGEDMO CCN1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2C)C[C@H]1C ZINC000614402305 348674099 /nfs/dbraw/zinc/67/40/99/348674099.db2.gz RBOOHSBEHIPKJV-QAPCUYQASA-N 1 1 285.435 3.171 20 30 CGEDMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2C)C[C@H]1C ZINC000614402305 348674102 /nfs/dbraw/zinc/67/41/02/348674102.db2.gz RBOOHSBEHIPKJV-QAPCUYQASA-N 1 1 285.435 3.171 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccccc1Cl ZINC000614800182 348694351 /nfs/dbraw/zinc/69/43/51/348694351.db2.gz LWPVZXXNGYZYKY-LLVKDONJSA-N 1 1 271.751 3.457 20 30 CGEDMO CC[N@@H+](Cc1ccnc(C#N)c1)[C@@H]1CCCC[C@H]1C ZINC000614916170 348700615 /nfs/dbraw/zinc/70/06/15/348700615.db2.gz QHAQXIVSJSPIMB-CZUORRHYSA-N 1 1 257.381 3.354 20 30 CGEDMO C=CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000273470543 192164189 /nfs/dbraw/zinc/16/41/89/192164189.db2.gz JEERRLAFJREAKU-FNORWQNLSA-N 1 1 258.321 3.258 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)[C@@H](C)[C@@H](C)O1 ZINC000615000406 348705875 /nfs/dbraw/zinc/70/58/75/348705875.db2.gz YBPVDRJOFGARNG-QLFBSQMISA-N 1 1 286.419 3.485 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)[C@H](C)[C@H](C)O1 ZINC000615000405 348706149 /nfs/dbraw/zinc/70/61/49/348706149.db2.gz YBPVDRJOFGARNG-KFWWJZLASA-N 1 1 286.419 3.485 20 30 CGEDMO CCn1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC000616129515 348789015 /nfs/dbraw/zinc/78/90/15/348789015.db2.gz FDZNCZIVXLVWJP-UHFFFAOYSA-N 1 1 253.349 3.012 20 30 CGEDMO C=CCC1(C(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)CCCC1 ZINC000615608104 348752796 /nfs/dbraw/zinc/75/27/96/348752796.db2.gz RFLLTFDLRIMGLA-KRWDZBQOSA-N 1 1 290.451 3.067 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000618280001 349064786 /nfs/dbraw/zinc/06/47/86/349064786.db2.gz QJRJTSSCKSVUAR-HNNXBMFYSA-N 1 1 274.412 3.240 20 30 CGEDMO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@H]2CCC[C@H](C#N)C2)[nH]1 ZINC000618578057 349110135 /nfs/dbraw/zinc/11/01/35/349110135.db2.gz YATMURZJVFYIPF-CYDGBPFRSA-N 1 1 275.400 3.051 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000618887194 349175220 /nfs/dbraw/zinc/17/52/20/349175220.db2.gz LNLGVFDOCCYLEW-XJKSGUPXSA-N 1 1 276.355 3.139 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCO[C@@H](c2cccc(F)c2)C1 ZINC000618887194 349175221 /nfs/dbraw/zinc/17/52/21/349175221.db2.gz LNLGVFDOCCYLEW-XJKSGUPXSA-N 1 1 276.355 3.139 20 30 CGEDMO Cc1ncc([C@@H](C)[NH2+]Cc2cccc(C#N)c2F)s1 ZINC000619465892 349253192 /nfs/dbraw/zinc/25/31/92/349253192.db2.gz ATDIGXPDSPBQCO-SECBINFHSA-N 1 1 275.352 3.313 20 30 CGEDMO Cn1c2ccccc2[nH+]c1NCc1ccc(C#N)c(Cl)c1 ZINC000619746556 349280973 /nfs/dbraw/zinc/28/09/73/349280973.db2.gz DMXFDSKABGKKIO-UHFFFAOYSA-N 1 1 296.761 3.132 20 30 CGEDMO CC[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccn(C)n1 ZINC000619754964 349281604 /nfs/dbraw/zinc/28/16/04/349281604.db2.gz PPQSWWZBTBUAGU-AWEZNQCLSA-N 1 1 288.782 3.186 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2CC)C1 ZINC000625700062 350198217 /nfs/dbraw/zinc/19/82/17/350198217.db2.gz IQKJLPZMJPMVDA-CQSZACIVSA-N 1 1 272.392 3.086 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2ccn(-c3ccccc3)n2)C1 ZINC000625701008 350198781 /nfs/dbraw/zinc/19/87/81/350198781.db2.gz NWAJZOQJICSXJT-HNNXBMFYSA-N 1 1 267.376 3.270 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](CCC(=O)N2CCCc3ccccc32)C1 ZINC000625703225 350199227 /nfs/dbraw/zinc/19/92/27/350199227.db2.gz RLXBMWSQXDDVSV-INIZCTEOSA-N 1 1 298.430 3.254 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2noc(-c3ccccc3)n2)C1 ZINC000625703616 350199237 /nfs/dbraw/zinc/19/92/37/350199237.db2.gz NRKSPFABWGDXFC-CYBMUJFWSA-N 1 1 269.348 3.135 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2noc(-c3ccccc3)n2)C1 ZINC000625703616 350199241 /nfs/dbraw/zinc/19/92/41/350199241.db2.gz NRKSPFABWGDXFC-CYBMUJFWSA-N 1 1 269.348 3.135 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625803177 350215794 /nfs/dbraw/zinc/21/57/94/350215794.db2.gz OAUSETXATGEVJD-GOSISDBHSA-N 1 1 285.387 3.453 20 30 CGEDMO C=CC[N@H+](C[C@H](O)c1ccc(Br)cc1)C1CC1 ZINC000271373587 191103335 /nfs/dbraw/zinc/10/33/35/191103335.db2.gz HFCDEPVUTHIOFU-AWEZNQCLSA-N 1 1 296.208 3.133 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(OC)c(OCC)c2)C1 ZINC000628405542 350528822 /nfs/dbraw/zinc/52/88/22/350528822.db2.gz OBXUCQCDORKUDZ-AWEZNQCLSA-N 1 1 275.392 3.492 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000628406197 350530102 /nfs/dbraw/zinc/53/01/02/350530102.db2.gz DOCGEPCPHLBPMZ-OAHLLOKOSA-N 1 1 299.393 3.469 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)CC2(C)COC2)cc1Cl ZINC000628423432 350534809 /nfs/dbraw/zinc/53/48/09/350534809.db2.gz UIKOJMNBVQMOCF-UHFFFAOYSA-N 1 1 295.810 3.373 20 30 CGEDMO CC1(C)C[N@H+](Cc2cc(C#N)cs2)[C@@H]1[C@H]1CCCO1 ZINC000335657318 212375257 /nfs/dbraw/zinc/37/52/57/212375257.db2.gz XMWCEZHQYWHXDY-ZIAGYGMSSA-N 1 1 276.405 3.009 20 30 CGEDMO CC1(C)C[N@@H+](Cc2cc(C#N)cs2)[C@@H]1[C@H]1CCCO1 ZINC000335657318 212375258 /nfs/dbraw/zinc/37/52/58/212375258.db2.gz XMWCEZHQYWHXDY-ZIAGYGMSSA-N 1 1 276.405 3.009 20 30 CGEDMO Cc1cn(CC#Cc2ccc(OC(F)(F)F)cc2)c(C)[nH+]1 ZINC000631015013 350924372 /nfs/dbraw/zinc/92/43/72/350924372.db2.gz ZINFPTGWECSJNS-UHFFFAOYSA-N 1 1 294.276 3.450 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000634735378 351581129 /nfs/dbraw/zinc/58/11/29/351581129.db2.gz FSROXQYAMOQQEI-HNNXBMFYSA-N 1 1 297.345 3.107 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000634735378 351581134 /nfs/dbraw/zinc/58/11/34/351581134.db2.gz FSROXQYAMOQQEI-HNNXBMFYSA-N 1 1 297.345 3.107 20 30 CGEDMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000122177634 187019378 /nfs/dbraw/zinc/01/93/78/187019378.db2.gz MXLBISXPOPLSEM-NSHDSACASA-N 1 1 258.296 3.483 20 30 CGEDMO CCCc1nc(C)c(C[NH2+]Cc2ccc(OC)c(C#N)c2)o1 ZINC000291728554 198072528 /nfs/dbraw/zinc/07/25/28/198072528.db2.gz NKZVZZOANVMLMY-UHFFFAOYSA-N 1 1 299.374 3.106 20 30 CGEDMO C=CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)c1ccccc1 ZINC000123049146 187067905 /nfs/dbraw/zinc/06/79/05/187067905.db2.gz COHWXZQSBVYLMZ-MRXNPFEDSA-N 1 1 274.408 3.150 20 30 CGEDMO N#Cc1cccc(OCCC[N@H+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000123353589 187086833 /nfs/dbraw/zinc/08/68/33/187086833.db2.gz MIWAWKOYEFNICB-SFHVURJKSA-N 1 1 295.386 3.492 20 30 CGEDMO C[C@H]1CC[C@@H](C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)O1 ZINC000364490669 234046765 /nfs/dbraw/zinc/04/67/65/234046765.db2.gz LRDNYVYZOFUJQA-KSSFIOAISA-N 1 1 282.387 3.215 20 30 CGEDMO C=C(Cl)CN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000271503250 191178471 /nfs/dbraw/zinc/17/84/71/191178471.db2.gz NMOHMGIUTIITFG-ZDUSSCGKSA-N 1 1 282.815 3.030 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000366095025 234151266 /nfs/dbraw/zinc/15/12/66/234151266.db2.gz LJEPYHLAUWDRJV-CYBMUJFWSA-N 1 1 270.307 3.280 20 30 CGEDMO CSC[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000292274801 198227727 /nfs/dbraw/zinc/22/77/27/198227727.db2.gz BHWFXTQLJGVNPK-CYBMUJFWSA-N 1 1 260.406 3.133 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000153968706 188114178 /nfs/dbraw/zinc/11/41/78/188114178.db2.gz DDLQPPURRUDKJV-QGZVFWFLSA-N 1 1 293.370 3.299 20 30 CGEDMO CC#CCC[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000155015732 188175856 /nfs/dbraw/zinc/17/58/56/188175856.db2.gz AQEGNRBLNWURIV-UHFFFAOYSA-N 1 1 256.393 3.132 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](CCc3cncs3)CC2)cc1 ZINC000411437697 235057185 /nfs/dbraw/zinc/05/71/85/235057185.db2.gz ISIUYYOPDAOEHA-UHFFFAOYSA-N 1 1 295.411 3.347 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000335832497 283094170 /nfs/dbraw/zinc/09/41/70/283094170.db2.gz CIQOODRRHFKSQL-KGLIPLIRSA-N 1 1 290.794 3.070 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000173804917 283098131 /nfs/dbraw/zinc/09/81/31/283098131.db2.gz SMNFPFSTRIYNHS-WBMJQRKESA-N 1 1 258.340 3.462 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)o1 ZINC000335374355 283142508 /nfs/dbraw/zinc/14/25/08/283142508.db2.gz DYMNYNVRNYILHY-GOSISDBHSA-N 1 1 294.354 3.121 20 30 CGEDMO C[C@@H]1Cc2[nH+]cn(Cc3ccccc3C#N)c2C[C@@H]1C ZINC000296001427 199748420 /nfs/dbraw/zinc/74/84/20/199748420.db2.gz PVLGDVIOMFHHLE-OLZOCXBDSA-N 1 1 265.360 3.174 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]1C1CCC1 ZINC000459337161 283212045 /nfs/dbraw/zinc/21/20/45/283212045.db2.gz KBXUWYPHLJIBMK-HNNXBMFYSA-N 1 1 285.347 3.231 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)c1 ZINC000093690380 138348174 /nfs/dbraw/zinc/34/81/74/138348174.db2.gz YFSKAZGHBCDCFG-KBPBESRZSA-N 1 1 278.446 3.480 20 30 CGEDMO C[C@@H]1CCC[C@@H](C)[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000125177720 138380349 /nfs/dbraw/zinc/38/03/49/138380349.db2.gz ARIJPNDVPZCBOE-VXGBXAGGSA-N 1 1 291.420 3.069 20 30 CGEDMO C[C@@H]1CCC[C@@H](C)[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000125177720 138380350 /nfs/dbraw/zinc/38/03/50/138380350.db2.gz ARIJPNDVPZCBOE-VXGBXAGGSA-N 1 1 291.420 3.069 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000125375085 138382042 /nfs/dbraw/zinc/38/20/42/138382042.db2.gz RWFIFFZAFVYIHX-INIZCTEOSA-N 1 1 269.323 3.363 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000125375085 138382044 /nfs/dbraw/zinc/38/20/44/138382044.db2.gz RWFIFFZAFVYIHX-INIZCTEOSA-N 1 1 269.323 3.363 20 30 CGEDMO N#Cc1ccc(C[N@H+](CCO)[C@@H]2CCc3ccccc32)s1 ZINC000126163181 138384876 /nfs/dbraw/zinc/38/48/76/138384876.db2.gz TZRADPMSCQKNPW-QGZVFWFLSA-N 1 1 298.411 3.102 20 30 CGEDMO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1nc2ccccc2n1C ZINC000127316967 138389267 /nfs/dbraw/zinc/38/92/67/138389267.db2.gz OPLBFGNFHSZMDV-ZDUSSCGKSA-N 1 1 290.370 3.296 20 30 CGEDMO CO[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C[C@H]1C ZINC000336257829 213093098 /nfs/dbraw/zinc/09/30/98/213093098.db2.gz VAQSCZIRVJGPOJ-IAQYHMDHSA-N 1 1 278.783 3.068 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C[C@H]1C ZINC000336257829 213093099 /nfs/dbraw/zinc/09/30/99/213093099.db2.gz VAQSCZIRVJGPOJ-IAQYHMDHSA-N 1 1 278.783 3.068 20 30 CGEDMO N#Cc1csc(C[NH2+][C@@H]2C[C@]2(F)c2ccccc2)c1 ZINC000424190279 236131326 /nfs/dbraw/zinc/13/13/26/236131326.db2.gz FTFMMTAJSJEOKK-CABCVRRESA-N 1 1 272.348 3.347 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cccc2c1OCO2 ZINC000425369293 236239833 /nfs/dbraw/zinc/23/98/33/236239833.db2.gz ZXWIREOECMUVKV-CYBMUJFWSA-N 1 1 294.354 3.480 20 30 CGEDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000336224672 213052468 /nfs/dbraw/zinc/05/24/68/213052468.db2.gz AIGWEYMHUUEYGG-GWCFXTLKSA-N 1 1 268.282 3.331 20 30 CGEDMO N#Cc1cccc(C[NH+]2CC(COc3ccccc3)C2)c1 ZINC000297444711 200192371 /nfs/dbraw/zinc/19/23/71/200192371.db2.gz PUYLADPOVBLTSV-UHFFFAOYSA-N 1 1 278.355 3.069 20 30 CGEDMO COc1ccc(C2([NH2+]Cc3ccc(F)cc3C#N)CC2)cc1 ZINC000341687762 216066399 /nfs/dbraw/zinc/06/63/99/216066399.db2.gz ZZLGJQXFNDJGJK-UHFFFAOYSA-N 1 1 296.345 3.485 20 30 CGEDMO C[C@@H](c1ccccn1)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000177159798 189032997 /nfs/dbraw/zinc/03/29/97/189032997.db2.gz HUMMBUHKMWUOPT-AWEZNQCLSA-N 1 1 281.359 3.025 20 30 CGEDMO Cc1cnn(CC[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)c1 ZINC000341892683 216141649 /nfs/dbraw/zinc/14/16/49/216141649.db2.gz GTCULJAHXXTHDV-UHFFFAOYSA-N 1 1 296.418 3.221 20 30 CGEDMO C=CCOc1cccc(C[NH2+][C@H](COC)c2ccco2)c1 ZINC000177571314 189058152 /nfs/dbraw/zinc/05/81/52/189058152.db2.gz YVVKGFNUAPNLGS-MRXNPFEDSA-N 1 1 287.359 3.322 20 30 CGEDMO C[C@H](Cc1[nH]cc[nH+]1)OCc1ccc(C#N)cc1Cl ZINC000438893458 238213379 /nfs/dbraw/zinc/21/33/79/238213379.db2.gz IZOVHRILOVXIPJ-SNVBAGLBSA-N 1 1 275.739 3.083 20 30 CGEDMO COc1cccc2c1CC[N@H+](Cc1ccc(C#N)s1)C2 ZINC000180781233 189274790 /nfs/dbraw/zinc/27/47/90/189274790.db2.gz VLWKKOHVTJGIDZ-UHFFFAOYSA-N 1 1 284.384 3.187 20 30 CGEDMO COc1cccc2c1CC[N@@H+](Cc1ccc(C#N)s1)C2 ZINC000180781233 189274791 /nfs/dbraw/zinc/27/47/91/189274791.db2.gz VLWKKOHVTJGIDZ-UHFFFAOYSA-N 1 1 284.384 3.187 20 30 CGEDMO C[C@H]1SCC[N@H+](Cc2cccc(C#N)c2F)[C@@H]1C ZINC000223542982 291261105 /nfs/dbraw/zinc/26/11/05/291261105.db2.gz CTALSFLEXGMIGH-GHMZBOCLSA-N 1 1 264.369 3.023 20 30 CGEDMO C[C@H]1SCC[N@@H+](Cc2cccc(C#N)c2F)[C@@H]1C ZINC000223542982 291261108 /nfs/dbraw/zinc/26/11/08/291261108.db2.gz CTALSFLEXGMIGH-GHMZBOCLSA-N 1 1 264.369 3.023 20 30 CGEDMO CC[N@H+]1CCCC[C@@H]1CNc1c(F)cc(C#N)cc1F ZINC000301573194 201075091 /nfs/dbraw/zinc/07/50/91/201075091.db2.gz YVBHHIMWUSPKJO-GFCCVEGCSA-N 1 1 279.334 3.123 20 30 CGEDMO CC1CC[NH+](C[C@@H]2CCCN(CCC(C)(C)C#N)C2)CC1 ZINC000119660558 370696712 /nfs/dbraw/zinc/69/67/12/370696712.db2.gz XLWFIJQUAKBMAJ-QGZVFWFLSA-N 1 1 291.483 3.370 20 30 CGEDMO CC(C)[N@@H+](CCOc1ccc(C#N)cc1)C1CCC1 ZINC000119739316 370703671 /nfs/dbraw/zinc/70/36/71/370703671.db2.gz NTFFSKDRNPJOAC-UHFFFAOYSA-N 1 1 258.365 3.200 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(F)cc1F ZINC000121126116 370832524 /nfs/dbraw/zinc/83/25/24/370832524.db2.gz KTWAMROPMAHMRJ-LLVKDONJSA-N 1 1 282.334 3.190 20 30 CGEDMO C=CC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000121450558 370862358 /nfs/dbraw/zinc/86/23/58/370862358.db2.gz RDKJGHPDFYAVDM-SNVBAGLBSA-N 1 1 286.297 3.150 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000121450558 370862362 /nfs/dbraw/zinc/86/23/62/370862362.db2.gz RDKJGHPDFYAVDM-SNVBAGLBSA-N 1 1 286.297 3.150 20 30 CGEDMO CCC[NH+](CCC)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459296454 242061237 /nfs/dbraw/zinc/06/12/37/242061237.db2.gz IHMKMILKOKIFHR-UHFFFAOYSA-N 1 1 261.325 3.088 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)cc1OC)CC(C)(C)C ZINC000463357361 242393213 /nfs/dbraw/zinc/39/32/13/242393213.db2.gz AVWQOOMROSBDAC-UHFFFAOYSA-N 1 1 260.381 3.435 20 30 CGEDMO C=CC[N@@H+](C)CC(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000121591041 370877524 /nfs/dbraw/zinc/87/75/24/370877524.db2.gz QXFCHWOASNWSDG-GOSISDBHSA-N 1 1 286.419 3.152 20 30 CGEDMO C=CC[N@H+](C)CC(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000121591041 370877525 /nfs/dbraw/zinc/87/75/25/370877525.db2.gz QXFCHWOASNWSDG-GOSISDBHSA-N 1 1 286.419 3.152 20 30 CGEDMO C[C@H]1CCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000124323655 370923730 /nfs/dbraw/zinc/92/37/30/370923730.db2.gz FFNMMQKYKAGILZ-AWEZNQCLSA-N 1 1 258.365 3.353 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000124772563 370928004 /nfs/dbraw/zinc/92/80/04/370928004.db2.gz UIZSDTZITLGRAT-CQSZACIVSA-N 1 1 295.448 3.176 20 30 CGEDMO C=CC[N@@H+](Cc1cnn(CCC)c1)Cc1ccccc1 ZINC000123690058 370915063 /nfs/dbraw/zinc/91/50/63/370915063.db2.gz QMDHRRRDJUEFJU-UHFFFAOYSA-N 1 1 269.392 3.481 20 30 CGEDMO C=CC[N@H+](Cc1cnn(CCC)c1)Cc1ccccc1 ZINC000123690058 370915069 /nfs/dbraw/zinc/91/50/69/370915069.db2.gz QMDHRRRDJUEFJU-UHFFFAOYSA-N 1 1 269.392 3.481 20 30 CGEDMO C=CC[N@@H+](Cc1c(C)n[nH]c1C)Cc1ccccc1 ZINC000123700142 370915186 /nfs/dbraw/zinc/91/51/86/370915186.db2.gz CMFXHZVIACDVIG-UHFFFAOYSA-N 1 1 255.365 3.215 20 30 CGEDMO C=CC[N@H+](Cc1c(C)n[nH]c1C)Cc1ccccc1 ZINC000123700142 370915188 /nfs/dbraw/zinc/91/51/88/370915188.db2.gz CMFXHZVIACDVIG-UHFFFAOYSA-N 1 1 255.365 3.215 20 30 CGEDMO Cc1ccc(-c2ncc(C[NH+]3CCC(C#N)CC3)s2)o1 ZINC000123769281 370915982 /nfs/dbraw/zinc/91/59/82/370915982.db2.gz OHHDMRPAZWBLGO-UHFFFAOYSA-N 1 1 287.388 3.447 20 30 CGEDMO C=CCc1cc(C[N@@H+](CC)CC2CC2)cc(OC)c1O ZINC000125640319 370938954 /nfs/dbraw/zinc/93/89/54/370938954.db2.gz YHFDMZFVZKXKQG-UHFFFAOYSA-N 1 1 275.392 3.361 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000126301650 370944092 /nfs/dbraw/zinc/94/40/92/370944092.db2.gz ZASYIUVRJHEBTK-OWCLPIDISA-N 1 1 292.467 3.237 20 30 CGEDMO CC(C)N(CC[NH2+][C@@H](C)c1ccc(C#N)cc1)C(C)C ZINC000019901016 368777660 /nfs/dbraw/zinc/77/76/60/368777660.db2.gz DRNDHTDCVNQXSL-HNNXBMFYSA-N 1 1 273.424 3.328 20 30 CGEDMO C[C@@H]1CCC[C@@H]([N@@H+](C)CC(=O)Nc2sccc2C#N)C1 ZINC000026469545 368860110 /nfs/dbraw/zinc/86/01/10/368860110.db2.gz QXPWCFRKNABRNX-DGCLKSJQSA-N 1 1 291.420 3.069 20 30 CGEDMO Cc1cc(C)c(C#N)c(NCCC[N@@H+]2CCCC[C@H]2C)n1 ZINC000035121585 368997516 /nfs/dbraw/zinc/99/75/16/368997516.db2.gz KSQOVVNREDPRDH-OAHLLOKOSA-N 1 1 286.423 3.247 20 30 CGEDMO CCC[C@H](C)[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000036790615 369029256 /nfs/dbraw/zinc/02/92/56/369029256.db2.gz LYHLBPDITJEBDW-ZDUSSCGKSA-N 1 1 273.380 3.007 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccccc1C#N)c1ccc(C#N)cc1 ZINC000037749586 369105237 /nfs/dbraw/zinc/10/52/37/369105237.db2.gz CKLLIGNRBZDJKT-CYBMUJFWSA-N 1 1 261.328 3.281 20 30 CGEDMO Cc1ccc(C#N)c(NCCC[N@H+](C)C2CCCCC2)n1 ZINC000043395550 369251265 /nfs/dbraw/zinc/25/12/65/369251265.db2.gz YKFPHVGOVFFBEY-UHFFFAOYSA-N 1 1 286.423 3.328 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2ccc(F)c(F)c2)c(F)c1 ZINC000049577811 369411157 /nfs/dbraw/zinc/41/11/57/369411157.db2.gz GDJOSXVKRWJDKU-UHFFFAOYSA-N 1 1 276.261 3.265 20 30 CGEDMO C[NH+](C)[C@H]1CCC[C@H](NC2CC(C#N)(c3ccccc3)C2)C1 ZINC000127526153 370952863 /nfs/dbraw/zinc/95/28/63/370952863.db2.gz NXXHZYPPJWXBOP-BMHOQUIDSA-N 1 1 297.446 3.073 20 30 CGEDMO C[NH+](C)[C@@H]1CCC[C@H](NC2CC(C#N)(c3ccccc3)C2)C1 ZINC000127525943 370953027 /nfs/dbraw/zinc/95/30/27/370953027.db2.gz NXXHZYPPJWXBOP-BKVYNOPKSA-N 1 1 297.446 3.073 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000276383101 193308682 /nfs/dbraw/zinc/30/86/82/193308682.db2.gz IJUJTAMQJMOFCO-NSHDSACASA-N 1 1 298.333 3.123 20 30 CGEDMO CC[N@H+]1CCC[C@H]1CNc1ccc(C#N)c(Cl)c1 ZINC000061845870 369608501 /nfs/dbraw/zinc/60/85/01/369608501.db2.gz YNSJONXUQMCDDQ-ZDUSSCGKSA-N 1 1 263.772 3.108 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000276447768 193335518 /nfs/dbraw/zinc/33/55/18/193335518.db2.gz PBVWIWIVIYAYCM-UHFFFAOYSA-N 1 1 298.386 3.321 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000276456299 193338865 /nfs/dbraw/zinc/33/88/65/193338865.db2.gz QCXFUEMUGCJMKD-ZDUSSCGKSA-N 1 1 283.375 3.070 20 30 CGEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCCO1 ZINC000063751176 369648292 /nfs/dbraw/zinc/64/82/92/369648292.db2.gz FEROGIIQTAZSKH-KRWDZBQOSA-N 1 1 272.392 3.338 20 30 CGEDMO C=CCC[N@@H+](C)Cc1nc(-c2ccc(C)c(OC)c2)no1 ZINC000276432272 193328596 /nfs/dbraw/zinc/32/85/96/193328596.db2.gz NOKVHQJRILDKFB-UHFFFAOYSA-N 1 1 287.363 3.062 20 30 CGEDMO C=CCC[N@H+](C)Cc1nc(-c2ccc(C)c(OC)c2)no1 ZINC000276432272 193328598 /nfs/dbraw/zinc/32/85/98/193328598.db2.gz NOKVHQJRILDKFB-UHFFFAOYSA-N 1 1 287.363 3.062 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000276486255 193350750 /nfs/dbraw/zinc/35/07/50/193350750.db2.gz UDIDSPVWVCTINJ-LLVKDONJSA-N 1 1 289.404 3.131 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1Cl ZINC000276523594 193367245 /nfs/dbraw/zinc/36/72/45/193367245.db2.gz ZBYWCOBRZBHJHZ-LLVKDONJSA-N 1 1 266.772 3.175 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1ccc(C)c(C)c1 ZINC000072553300 369824141 /nfs/dbraw/zinc/82/41/41/369824141.db2.gz XFYSPUKTAMKZIK-UHFFFAOYSA-N 1 1 260.381 3.140 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1ccc(C)c(C)c1 ZINC000072553300 369824146 /nfs/dbraw/zinc/82/41/46/369824146.db2.gz XFYSPUKTAMKZIK-UHFFFAOYSA-N 1 1 260.381 3.140 20 30 CGEDMO C[N@@H+](CCc1cccs1)Cc1ccc(C#N)cc1F ZINC000075965294 369923998 /nfs/dbraw/zinc/92/39/98/369923998.db2.gz OMZONFJKFWYYSX-UHFFFAOYSA-N 1 1 274.364 3.433 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccc(-n2cccn2)cc1 ZINC000076734602 369941044 /nfs/dbraw/zinc/94/10/44/369941044.db2.gz VMNNLSIXYNGWDW-UHFFFAOYSA-N 1 1 255.365 3.270 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cccc(C(=O)NCC(C)C)c1 ZINC000076738322 369941195 /nfs/dbraw/zinc/94/11/95/369941195.db2.gz ZOOZYUBTYBGRJT-UHFFFAOYSA-N 1 1 288.435 3.470 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)N(Cc1ccccc1)C(C)C ZINC000076733968 369941693 /nfs/dbraw/zinc/94/16/93/369941693.db2.gz AGTZOGAORMLLCX-UHFFFAOYSA-N 1 1 288.435 3.322 20 30 CGEDMO C=CC[N@H+](CCc1ccccn1)Cc1ccc(OC)cc1 ZINC000077384276 369945998 /nfs/dbraw/zinc/94/59/98/369945998.db2.gz UHFUOEWUIMPQPO-UHFFFAOYSA-N 1 1 282.387 3.321 20 30 CGEDMO N#Cc1ccc(F)c(CNc2[nH]c3ccccc3[nH+]2)c1 ZINC000083483520 370006632 /nfs/dbraw/zinc/00/66/32/370006632.db2.gz VSQLHNQQBXUPTQ-UHFFFAOYSA-N 1 1 266.279 3.186 20 30 CGEDMO CCCOc1ccc(C[N@H+](CC)C[C@@H](C)C#N)cc1OC ZINC000091983658 370085457 /nfs/dbraw/zinc/08/54/57/370085457.db2.gz DNNUHOJZRVAFEY-AWEZNQCLSA-N 1 1 290.407 3.466 20 30 CGEDMO CCCOc1ccc(C[N@@H+](CC)C[C@@H](C)C#N)cc1OC ZINC000091983658 370085463 /nfs/dbraw/zinc/08/54/63/370085463.db2.gz DNNUHOJZRVAFEY-AWEZNQCLSA-N 1 1 290.407 3.466 20 30 CGEDMO CS[C@@H]1CCCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000092064279 370091629 /nfs/dbraw/zinc/09/16/29/370091629.db2.gz SGBFOFJTHAZASR-GFCCVEGCSA-N 1 1 266.435 3.337 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)CC1=CCCOC1 ZINC000092505698 370097898 /nfs/dbraw/zinc/09/78/98/370097898.db2.gz OXQXWZQXVQKFCU-UHFFFAOYSA-N 1 1 257.377 3.064 20 30 CGEDMO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccc(C#N)o1)CCC2 ZINC000093364971 370119919 /nfs/dbraw/zinc/11/99/19/370119919.db2.gz BWSHJUORZISRNS-AWEZNQCLSA-N 1 1 287.388 3.426 20 30 CGEDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccc(C#N)o1)CCC2 ZINC000093364971 370119925 /nfs/dbraw/zinc/11/99/25/370119925.db2.gz BWSHJUORZISRNS-AWEZNQCLSA-N 1 1 287.388 3.426 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC000093506470 370136829 /nfs/dbraw/zinc/13/68/29/370136829.db2.gz LURAASCXQJMWML-MJGOQNOKSA-N 1 1 299.414 3.090 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cccc(-n2cccn2)c1 ZINC000093533538 370139500 /nfs/dbraw/zinc/13/95/00/370139500.db2.gz YPIIXNIVSMQZIM-UHFFFAOYSA-N 1 1 255.365 3.270 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000093643702 370151409 /nfs/dbraw/zinc/15/14/09/370151409.db2.gz KYEMLNYWHOSSQT-DOTOQJQBSA-N 1 1 288.435 3.166 20 30 CGEDMO C=CCOc1ccc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000093643702 370151425 /nfs/dbraw/zinc/15/14/25/370151425.db2.gz KYEMLNYWHOSSQT-DOTOQJQBSA-N 1 1 288.435 3.166 20 30 CGEDMO C=CCOc1ccc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000093643702 370151429 /nfs/dbraw/zinc/15/14/29/370151429.db2.gz KYEMLNYWHOSSQT-DOTOQJQBSA-N 1 1 288.435 3.166 20 30 CGEDMO CCS[C@H]1CCCC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000112560580 370434633 /nfs/dbraw/zinc/43/46/33/370434633.db2.gz UKZJYAOUQNNQLX-KBPBESRZSA-N 1 1 265.426 3.038 20 30 CGEDMO CC1(C)CCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000112701842 370442564 /nfs/dbraw/zinc/44/25/64/370442564.db2.gz PEOUPOABXUMTJS-UHFFFAOYSA-N 1 1 291.420 3.070 20 30 CGEDMO CCC(CC)C[N@@H+](CC)CC(=O)Nc1sccc1C#N ZINC000114725793 370510158 /nfs/dbraw/zinc/51/01/58/370510158.db2.gz VKVVBIVJOUDDPG-UHFFFAOYSA-N 1 1 293.436 3.316 20 30 CGEDMO COCCCC[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000114208853 370494154 /nfs/dbraw/zinc/49/41/54/370494154.db2.gz RCRVCXFODQEGKV-UHFFFAOYSA-N 1 1 260.381 3.195 20 30 CGEDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1C[C@H](C#N)CCC#N ZINC000115739775 370541158 /nfs/dbraw/zinc/54/11/58/370541158.db2.gz WSXMARFVZOLVPL-HLLBOEOZSA-N 1 1 267.376 3.308 20 30 CGEDMO N#CCCCC[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000115559770 370535190 /nfs/dbraw/zinc/53/51/90/370535190.db2.gz SQOXJNKUEAPGLM-HNNXBMFYSA-N 1 1 260.406 3.470 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000129968691 371008779 /nfs/dbraw/zinc/00/87/79/371008779.db2.gz OZCAGWOWOFUIJE-HNNXBMFYSA-N 1 1 287.403 3.252 20 30 CGEDMO N#CCC[C@H]([NH2+]Cc1cncs1)c1ccccc1 ZINC000130394743 371030580 /nfs/dbraw/zinc/03/05/80/371030580.db2.gz IBNPCEXMTMXIOC-AWEZNQCLSA-N 1 1 257.362 3.278 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)[C@@H]2CCSC2)cc1 ZINC000130485659 371038083 /nfs/dbraw/zinc/03/80/83/371038083.db2.gz GROSMNQHPBJPCJ-CQSZACIVSA-N 1 1 263.406 3.189 20 30 CGEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000130518170 371040043 /nfs/dbraw/zinc/04/00/43/371040043.db2.gz JPCYCGGVHWLBLT-INIZCTEOSA-N 1 1 298.365 3.374 20 30 CGEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000130518170 371040046 /nfs/dbraw/zinc/04/00/46/371040046.db2.gz JPCYCGGVHWLBLT-INIZCTEOSA-N 1 1 298.365 3.374 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccc(OCC(F)(F)F)nc1 ZINC000132613342 371188384 /nfs/dbraw/zinc/18/83/84/371188384.db2.gz SWHRHMSKGCTKHU-UHFFFAOYSA-N 1 1 288.313 3.421 20 30 CGEDMO N#CCCC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000134809348 371365448 /nfs/dbraw/zinc/36/54/48/371365448.db2.gz WKIRFTQJPWRALM-JKSUJKDBSA-N 1 1 276.355 3.017 20 30 CGEDMO CC[C@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000135118305 371391153 /nfs/dbraw/zinc/39/11/53/371391153.db2.gz LJUWSQRJOYIITB-HNNXBMFYSA-N 1 1 272.392 3.099 20 30 CGEDMO CC[C@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000135118305 371391158 /nfs/dbraw/zinc/39/11/58/371391158.db2.gz LJUWSQRJOYIITB-HNNXBMFYSA-N 1 1 272.392 3.099 20 30 CGEDMO COc1ccc(C[N@@H+]([C@@H](C)C2CC2)C2CC2)cc1C#N ZINC000134989270 371380775 /nfs/dbraw/zinc/38/07/75/371380775.db2.gz FUEPDPBOYDDVHO-LBPRGKRZSA-N 1 1 270.376 3.330 20 30 CGEDMO C[C@H]1CCC[C@@](C[NH2+]Cc2ccc(C#N)s2)(N(C)C)C1 ZINC000135685747 371443711 /nfs/dbraw/zinc/44/37/11/371443711.db2.gz DXIZTMQEPYWYFW-XJKSGUPXSA-N 1 1 291.464 3.220 20 30 CGEDMO CC[C@H](C)[N@@H+](C)CCNc1nc(C)c(C#N)cc1Cl ZINC000336819399 213697989 /nfs/dbraw/zinc/69/79/89/213697989.db2.gz ZPQBSTAGYVJTGX-JTQLQIEISA-N 1 1 280.803 3.057 20 30 CGEDMO N#Cc1ccnc(NC[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000287489193 371664556 /nfs/dbraw/zinc/66/45/56/371664556.db2.gz YBLZSSLUIZMZGX-QGZVFWFLSA-N 1 1 292.386 3.030 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)C[C@H]2CCCOC2)cc1 ZINC000151890442 371647889 /nfs/dbraw/zinc/64/78/89/371647889.db2.gz HOFJVLBWTWTNSU-MRXNPFEDSA-N 1 1 275.392 3.110 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000289021618 371749182 /nfs/dbraw/zinc/74/91/82/371749182.db2.gz AJZOFLHNDPGKPU-IBGZPJMESA-N 1 1 276.383 3.313 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C[C@H]1CC=CCC1 ZINC000344061239 217031574 /nfs/dbraw/zinc/03/15/74/217031574.db2.gz MOYFRRWGWBSHPJ-INIZCTEOSA-N 1 1 297.402 3.175 20 30 CGEDMO CC#CCC[N@H+](CC)[C@H](C)Cc1ccc(OC)cc1 ZINC000155640327 371936747 /nfs/dbraw/zinc/93/67/47/371936747.db2.gz DQTSFONTQMOOGU-OAHLLOKOSA-N 1 1 259.393 3.362 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)CC1(SC)CC1 ZINC000290230744 371942239 /nfs/dbraw/zinc/94/22/39/371942239.db2.gz FVYWNBNPHPLIDB-UHFFFAOYSA-N 1 1 251.395 3.206 20 30 CGEDMO CCCC[C@@H](C)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000290097726 371903307 /nfs/dbraw/zinc/90/33/07/371903307.db2.gz ZZHZROLLKBHOOK-CJNGLKHVSA-N 1 1 260.381 3.102 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)Nc1cccc(F)c1 ZINC000155133614 371907501 /nfs/dbraw/zinc/90/75/01/371907501.db2.gz RYSOCIQGIVFPKI-GFCCVEGCSA-N 1 1 264.344 3.051 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000157503286 372024497 /nfs/dbraw/zinc/02/44/97/372024497.db2.gz PZUPLHFWYVMREV-HNNXBMFYSA-N 1 1 299.418 3.277 20 30 CGEDMO CC[N@@H+](CC1CC1)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000157983780 372045566 /nfs/dbraw/zinc/04/55/66/372045566.db2.gz BGWVBNONKMLHIS-OAHLLOKOSA-N 1 1 299.418 3.054 20 30 CGEDMO Clc1cccc(C#CC[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC000157285255 372013884 /nfs/dbraw/zinc/01/38/84/372013884.db2.gz IBLKXOAYUXETCT-NVXWUHKLSA-N 1 1 289.806 3.192 20 30 CGEDMO CC[C@H](N[C@H](C[NH3+])C1CCCC1)c1ccc(C#N)cc1 ZINC000423499223 372070189 /nfs/dbraw/zinc/07/01/89/372070189.db2.gz IZKBHECXLHQHOC-DLBZAZTESA-N 1 1 271.408 3.116 20 30 CGEDMO CC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)CC(C)(C)C ZINC000291223812 372141055 /nfs/dbraw/zinc/14/10/55/372141055.db2.gz LRZMTONDXYPPKL-UHFFFAOYSA-N 1 1 298.390 3.476 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H](C)CC1CCOCC1 ZINC000426574046 372165109 /nfs/dbraw/zinc/16/51/09/372165109.db2.gz TVFCLRWETVHWOT-GDBMZVCRSA-N 1 1 251.414 3.480 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(OC)cc(OC)c1 ZINC000426571204 372165303 /nfs/dbraw/zinc/16/53/03/372165303.db2.gz SKOPQIWPZWRHDH-CQSZACIVSA-N 1 1 261.365 3.244 20 30 CGEDMO C#Cc1ccc(C[N@H+](CC)[C@@H]2CCOC(C)(C)C2)cc1 ZINC000291616149 372171629 /nfs/dbraw/zinc/17/16/29/372171629.db2.gz RHUIDBHUXOURPX-QGZVFWFLSA-N 1 1 271.404 3.447 20 30 CGEDMO CC(C)[N@@H+](CC#Cc1cccc(Cl)c1)[C@H]1CCOC1 ZINC000291878092 372175837 /nfs/dbraw/zinc/17/58/37/372175837.db2.gz QARKPCCSYWJFKM-INIZCTEOSA-N 1 1 277.795 3.191 20 30 CGEDMO CSCC[C@H](C)[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428383627 372187808 /nfs/dbraw/zinc/18/78/08/372187808.db2.gz ACFIDJXLFBHYLL-NSHDSACASA-N 1 1 266.385 3.271 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)Cc1cc(C)ncn1 ZINC000292944245 372256537 /nfs/dbraw/zinc/25/65/37/372256537.db2.gz UUPRLJHAYXXRFM-UHFFFAOYSA-N 1 1 267.376 3.363 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1cc(C)ncn1 ZINC000292944245 372256545 /nfs/dbraw/zinc/25/65/45/372256545.db2.gz UUPRLJHAYXXRFM-UHFFFAOYSA-N 1 1 267.376 3.363 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428810571 372265403 /nfs/dbraw/zinc/26/54/03/372265403.db2.gz YKWVTRSESMLJMB-ZBFHGGJFSA-N 1 1 285.391 3.151 20 30 CGEDMO CC(C)(C)CCC[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428807256 372265636 /nfs/dbraw/zinc/26/56/36/372265636.db2.gz QTYKPZOSJIMJBD-OAHLLOKOSA-N 1 1 287.407 3.233 20 30 CGEDMO C=CC[N@@H+](CCC#N)CC[C@H](C)OCc1ccccc1 ZINC000428831320 372267500 /nfs/dbraw/zinc/26/75/00/372267500.db2.gz CZIUUEBZWYOTIF-INIZCTEOSA-N 1 1 272.392 3.383 20 30 CGEDMO C=CC[N@H+](CCC#N)CC[C@H](C)OCc1ccccc1 ZINC000428831320 372267506 /nfs/dbraw/zinc/26/75/06/372267506.db2.gz CZIUUEBZWYOTIF-INIZCTEOSA-N 1 1 272.392 3.383 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c(C#N)c1 ZINC000160787323 372275452 /nfs/dbraw/zinc/27/54/52/372275452.db2.gz IRTVVSWEQXVBMC-UHFFFAOYSA-N 1 1 279.318 3.201 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)o1)Cc1cccc(Cl)c1 ZINC000161129691 372303783 /nfs/dbraw/zinc/30/37/83/372303783.db2.gz SKBNCTPSSURWGR-UHFFFAOYSA-N 1 1 260.724 3.437 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)o1)Cc1cccc(Cl)c1 ZINC000161129691 372303789 /nfs/dbraw/zinc/30/37/89/372303789.db2.gz SKBNCTPSSURWGR-UHFFFAOYSA-N 1 1 260.724 3.437 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)[C@@H](C)c1ccccc1F ZINC000429713696 372378045 /nfs/dbraw/zinc/37/80/45/372378045.db2.gz DWLFJGGNZXSHLK-AWEZNQCLSA-N 1 1 264.388 3.326 20 30 CGEDMO C=CCN(C)CC[N@@H+](CC)[C@@H](C)c1ccccc1F ZINC000429713696 372378050 /nfs/dbraw/zinc/37/80/50/372378050.db2.gz DWLFJGGNZXSHLK-AWEZNQCLSA-N 1 1 264.388 3.326 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)[C@@H](C)c1ccccc1F ZINC000429713696 372378054 /nfs/dbraw/zinc/37/80/54/372378054.db2.gz DWLFJGGNZXSHLK-AWEZNQCLSA-N 1 1 264.388 3.326 20 30 CGEDMO C=CCOc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000162155871 372378842 /nfs/dbraw/zinc/37/88/42/372378842.db2.gz LRTKQMSBJZNHJZ-UHFFFAOYSA-N 1 1 257.333 3.476 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000162155871 372378847 /nfs/dbraw/zinc/37/88/47/372378847.db2.gz LRTKQMSBJZNHJZ-UHFFFAOYSA-N 1 1 257.333 3.476 20 30 CGEDMO CN(Cc1ccccc1)CC(C)(C)C[NH2+]CC1(CC#N)CC1 ZINC000430017203 372381148 /nfs/dbraw/zinc/38/11/48/372381148.db2.gz AGCCEUZOCGYSGX-UHFFFAOYSA-N 1 1 299.462 3.428 20 30 CGEDMO C=CCOCC[N@H+](C)Cc1ccc(Br)s1 ZINC000293479932 372392532 /nfs/dbraw/zinc/39/25/32/372392532.db2.gz MHEPTPZVKYCIRQ-UHFFFAOYSA-N 1 1 290.226 3.145 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000163362813 372463543 /nfs/dbraw/zinc/46/35/43/372463543.db2.gz RHMTXDYNCCLTGC-JTQLQIEISA-N 1 1 254.717 3.306 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000433229661 372583976 /nfs/dbraw/zinc/58/39/76/372583976.db2.gz ZNXIJIVEAJIOID-MRXNPFEDSA-N 1 1 278.440 3.208 20 30 CGEDMO C[N@@H+](CCCCC1CCOCC1)CC(C)(C)C#N ZINC000433322932 372592866 /nfs/dbraw/zinc/59/28/66/372592866.db2.gz SOAKOEXTPMXNAQ-UHFFFAOYSA-N 1 1 252.402 3.065 20 30 CGEDMO Cc1ccc(Cl)cc1N1CC[NH+](CCCC#N)CC1 ZINC000170731383 372653971 /nfs/dbraw/zinc/65/39/71/372653971.db2.gz ANGABHGWJPLKMT-UHFFFAOYSA-N 1 1 277.799 3.074 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H]1CCCOc2ccc(OC)cc21 ZINC000368465168 261317893 /nfs/dbraw/zinc/31/78/93/261317893.db2.gz FOQBNNFPFIJWAO-CYBMUJFWSA-N 1 1 267.756 3.251 20 30 CGEDMO CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000171428774 372758918 /nfs/dbraw/zinc/75/89/18/372758918.db2.gz BEBTUNHMIXCDPS-INIZCTEOSA-N 1 1 299.418 3.301 20 30 CGEDMO CC[C@@H](C)[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435126006 372734759 /nfs/dbraw/zinc/73/47/59/372734759.db2.gz ZRLMNGLIEYNPKO-CQSZACIVSA-N 1 1 297.406 3.089 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccc(Br)cn1 ZINC000172325019 372941175 /nfs/dbraw/zinc/94/11/75/372941175.db2.gz BIWAVAFHMIUZOK-UHFFFAOYSA-N 1 1 269.186 3.242 20 30 CGEDMO C[C@@H]1CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000438468775 372959229 /nfs/dbraw/zinc/95/92/29/372959229.db2.gz KZOUTSRQYUHZSK-GFCCVEGCSA-N 1 1 283.293 3.279 20 30 CGEDMO C[C@@H]1Cc2[nH+]cn(Cc3ccc(F)c(C#N)c3)c2C[C@H]1C ZINC000295937718 372966381 /nfs/dbraw/zinc/96/63/81/372966381.db2.gz KTQBIEVPQMUWIM-VXGBXAGGSA-N 1 1 283.350 3.313 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1C[C@H](c2ccccc2)C(C)(C)C1 ZINC000441092713 372997813 /nfs/dbraw/zinc/99/78/13/372997813.db2.gz WTCXBDWXDDWGLC-IAGOWNOFSA-N 1 1 273.420 3.439 20 30 CGEDMO C=CC[N@@H+](CCC(=O)OC(C)C)CCc1ccccc1 ZINC000441256457 373001446 /nfs/dbraw/zinc/00/14/46/373001446.db2.gz AKPMLPBRBSDJQP-UHFFFAOYSA-N 1 1 275.392 3.059 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)[C@@H]1C ZINC000172855391 373049428 /nfs/dbraw/zinc/04/94/28/373049428.db2.gz PSPXCPOSAJJEEO-VXGBXAGGSA-N 1 1 291.420 3.069 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2c(F)cccc2F)s1 ZINC000344810690 217319805 /nfs/dbraw/zinc/31/98/05/217319805.db2.gz AGMBKDZPAYJANT-UHFFFAOYSA-N 1 1 264.300 3.188 20 30 CGEDMO COc1cc(C[N@@H+]([C@@H](C)C2CC2)C2CC2)ccc1C#N ZINC000442802445 373091116 /nfs/dbraw/zinc/09/11/16/373091116.db2.gz REQPSBLWDTWTGH-LBPRGKRZSA-N 1 1 270.376 3.330 20 30 CGEDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000173435952 373140136 /nfs/dbraw/zinc/14/01/36/373140136.db2.gz YLTXAGUZWTVASP-UNEWFSDZSA-N 1 1 297.402 3.150 20 30 CGEDMO N#CCCN1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000444408073 373185782 /nfs/dbraw/zinc/18/57/82/373185782.db2.gz QQVLAGNNVXJTNI-UHFFFAOYSA-N 1 1 297.446 3.421 20 30 CGEDMO CC(C)[N@@H+](C)C[C@H](C)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000353575272 220166135 /nfs/dbraw/zinc/16/61/35/220166135.db2.gz KIKCCIFBJHFGSE-QWHCGFSZSA-N 1 1 277.387 3.077 20 30 CGEDMO CC(C)N(C)C[C@H](C)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000353575272 220166137 /nfs/dbraw/zinc/16/61/37/220166137.db2.gz KIKCCIFBJHFGSE-QWHCGFSZSA-N 1 1 277.387 3.077 20 30 CGEDMO CC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCCC[C@@H]1C ZINC000444673152 373230682 /nfs/dbraw/zinc/23/06/82/373230682.db2.gz IBLZWZZBBBDZDX-WMLDXEAASA-N 1 1 299.418 3.397 20 30 CGEDMO CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@H]1CCCC[C@@H]1C ZINC000444677837 373231762 /nfs/dbraw/zinc/23/17/62/373231762.db2.gz QIALXTULFNEKIK-YOEHRIQHSA-N 1 1 299.418 3.397 20 30 CGEDMO C#CC[C@H]([NH2+][C@H]1C[C@@H](C)n2ccnc21)c1ccccc1 ZINC000297002748 373254125 /nfs/dbraw/zinc/25/41/25/373254125.db2.gz SVWVXOJAWAULLH-KBMXLJTQSA-N 1 1 265.360 3.243 20 30 CGEDMO CC(C)[C@H]1CCC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000444751570 373258640 /nfs/dbraw/zinc/25/86/40/373258640.db2.gz BGJIVNRFXRDQEA-INIZCTEOSA-N 1 1 272.392 3.305 20 30 CGEDMO N#Cc1c(Cl)cccc1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000297190533 373260122 /nfs/dbraw/zinc/26/01/22/373260122.db2.gz QPIZXGPXYJMMSM-NSHDSACASA-N 1 1 286.766 3.319 20 30 CGEDMO CC(C)[N@@H+](C)C[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1F ZINC000353581291 220171124 /nfs/dbraw/zinc/17/11/24/220171124.db2.gz YSRPEBZGTHJOFA-OLZOCXBDSA-N 1 1 277.387 3.077 20 30 CGEDMO CC#CC[N@@H+](C)[C@H]1CCOc2ccc(Br)cc21 ZINC000445885586 373316274 /nfs/dbraw/zinc/31/62/74/373316274.db2.gz LTAVJEAVZVUGAP-ZDUSSCGKSA-N 1 1 294.192 3.228 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@H](C)[C@H](C)O1 ZINC000446078957 373319356 /nfs/dbraw/zinc/31/93/56/373319356.db2.gz NPOPZXXXVZUPQC-KFWWJZLASA-N 1 1 286.419 3.485 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000174472486 373323944 /nfs/dbraw/zinc/32/39/44/373323944.db2.gz DYMQSTYIHLNDTE-NEPJUHHUSA-N 1 1 291.420 3.069 20 30 CGEDMO CC(C)[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000446728832 373347279 /nfs/dbraw/zinc/34/72/79/373347279.db2.gz QFZQTKABRZUVEG-OAHLLOKOSA-N 1 1 296.374 3.086 20 30 CGEDMO CC[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000446731338 373350736 /nfs/dbraw/zinc/35/07/36/373350736.db2.gz HETQKUWCZGPEII-LLVKDONJSA-N 1 1 280.318 3.392 20 30 CGEDMO CCc1cnc(C[N@@H+](C)CCCC(C)(C)C#N)s1 ZINC000175517689 373479262 /nfs/dbraw/zinc/47/92/62/373479262.db2.gz ISWBYCMSTBCNNK-UHFFFAOYSA-N 1 1 265.426 3.467 20 30 CGEDMO COc1cccc(C[N@@H+](C)CC#Cc2ccc(F)cc2)c1 ZINC000448450085 373578054 /nfs/dbraw/zinc/57/80/54/373578054.db2.gz ZAPJLLXUNSGIOQ-UHFFFAOYSA-N 1 1 283.346 3.318 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cnn(-c2ccc(OC)cc2)c1 ZINC000449003972 373653932 /nfs/dbraw/zinc/65/39/32/373653932.db2.gz UQUXPIFAHGPWHN-UHFFFAOYSA-N 1 1 285.391 3.279 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@H]3CCC[C@H]32)ccc1C#N ZINC000300200671 373620368 /nfs/dbraw/zinc/62/03/68/373620368.db2.gz VXQDVPPNNLYEPL-GDBMZVCRSA-N 1 1 270.376 3.331 20 30 CGEDMO CC(C)C[C@@]1(C)CCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000449435554 373714918 /nfs/dbraw/zinc/71/49/18/373714918.db2.gz VZMMDULWKMNCDC-MRXNPFEDSA-N 1 1 259.397 3.297 20 30 CGEDMO CN(C)CC1(C[NH2+]C2CCC(C)(C#N)CC2)CCCC1 ZINC000449243973 373675283 /nfs/dbraw/zinc/67/52/83/373675283.db2.gz ONOYIXBFKJMSIN-UHFFFAOYSA-N 1 1 277.456 3.170 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@](C)(COC)C2)cc1 ZINC000449392352 373687050 /nfs/dbraw/zinc/68/70/50/373687050.db2.gz JWNIXZGBWSPUJV-QGZVFWFLSA-N 1 1 275.392 3.110 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCNc1ccc(Cl)cc1C#N ZINC000301194696 373687900 /nfs/dbraw/zinc/68/79/00/373687900.db2.gz NAYIZWRFBAUIDB-LBPRGKRZSA-N 1 1 277.799 3.498 20 30 CGEDMO N#Cc1nc(N[C@@H]2CC[N@H+](C3CCCC3)C2)ccc1Cl ZINC000301390721 373769329 /nfs/dbraw/zinc/76/93/29/373769329.db2.gz GPNJYYIXXSXKCQ-LLVKDONJSA-N 1 1 290.798 3.035 20 30 CGEDMO C=CCC1(C[NH2+][C@@H]2CCN(CC)C[C@H]2C)CCCC1 ZINC000449604038 373833510 /nfs/dbraw/zinc/83/35/10/373833510.db2.gz IVRFDSQPJUMRLJ-HZPDHXFCSA-N 1 1 264.457 3.443 20 30 CGEDMO CCO[C@@H]1CC[N@@H+](CC(C)(C)CCC#N)C[C@@H]1C ZINC000449489957 373779578 /nfs/dbraw/zinc/77/95/78/373779578.db2.gz BITKCFMLUMEYHW-UONOGXRCSA-N 1 1 252.402 3.063 20 30 CGEDMO Cn1cc(C[N@H+]2CC[C@H](CC(C)(C)C)C2)cc1C#N ZINC000449775337 373903500 /nfs/dbraw/zinc/90/35/00/373903500.db2.gz MFPVHQVYAFZEGY-CYBMUJFWSA-N 1 1 259.397 3.155 20 30 CGEDMO C[N@@H+](C[C@@H]1COc2ccccc2O1)CC(C)(C)CCC#N ZINC000179636108 373895728 /nfs/dbraw/zinc/89/57/28/373895728.db2.gz UMWUSYDBYMJFFF-CQSZACIVSA-N 1 1 288.391 3.088 20 30 CGEDMO Cn1cccc1[C@H]1CCC[N@H+]1Cc1cc(C#N)cs1 ZINC000179709442 373908111 /nfs/dbraw/zinc/90/81/11/373908111.db2.gz GRCQGZSLTRUXCC-OAHLLOKOSA-N 1 1 271.389 3.295 20 30 CGEDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@]3(C#N)C[C@@H]3C)c2C1 ZINC000450273971 374033601 /nfs/dbraw/zinc/03/36/01/374033601.db2.gz FBJKOCMCDWMEOA-UGSOOPFHSA-N 1 1 297.402 3.146 20 30 CGEDMO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000181508844 374133858 /nfs/dbraw/zinc/13/38/58/374133858.db2.gz CGHMYMHJKBNIFH-LBPRGKRZSA-N 1 1 282.343 3.123 20 30 CGEDMO CC[N@H+](CC1(C#N)CCC1)[C@@H](C)c1cccc(O)c1 ZINC000450467062 374151102 /nfs/dbraw/zinc/15/11/02/374151102.db2.gz BWKPJMHJQRFYSD-ZDUSSCGKSA-N 1 1 258.365 3.469 20 30 CGEDMO CC[N@@H+](CC1(C#N)CCC1)[C@@H](C)c1cccc(O)c1 ZINC000450467062 374151108 /nfs/dbraw/zinc/15/11/08/374151108.db2.gz BWKPJMHJQRFYSD-ZDUSSCGKSA-N 1 1 258.365 3.469 20 30 CGEDMO Cc1ccc(C[N@H+](CCO)Cc2cc(C#N)ccc2F)cc1 ZINC000181975836 374198683 /nfs/dbraw/zinc/19/86/83/374198683.db2.gz RZXQQPKNTWOSRC-UHFFFAOYSA-N 1 1 298.361 3.000 20 30 CGEDMO Cc1ccc(C[N@@H+](CCO)Cc2cc(C#N)ccc2F)cc1 ZINC000181975836 374198693 /nfs/dbraw/zinc/19/86/93/374198693.db2.gz RZXQQPKNTWOSRC-UHFFFAOYSA-N 1 1 298.361 3.000 20 30 CGEDMO N#CCC[N@H+](CCCc1cccc(F)c1)CC1CC1 ZINC000182822643 374332493 /nfs/dbraw/zinc/33/24/93/374332493.db2.gz LUMIWKQPXJICQW-UHFFFAOYSA-N 1 1 260.356 3.384 20 30 CGEDMO C[C@H](C1CCC1)[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000325536913 374359059 /nfs/dbraw/zinc/35/90/59/374359059.db2.gz IJGJYLXIXTVFRI-CYBMUJFWSA-N 1 1 285.391 3.007 20 30 CGEDMO O=C(N[C@@H]1CCCCC[C@H]1O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000329324477 374404676 /nfs/dbraw/zinc/40/46/76/374404676.db2.gz IDMAAKGHWDQPRJ-OWCLPIDISA-N 1 1 294.439 3.044 20 30 CGEDMO CC[C@H]([NH2+]Cc1ncccc1OC)c1ccc(C#N)cc1 ZINC000453362961 374450309 /nfs/dbraw/zinc/45/03/09/374450309.db2.gz LTMXKDVKVVVACA-HNNXBMFYSA-N 1 1 281.359 3.203 20 30 CGEDMO COCc1csc(NC(=O)CC[C@@H]2CCCC[N@H+]2C)n1 ZINC000330291404 374453247 /nfs/dbraw/zinc/45/32/47/374453247.db2.gz GLPMMNIUHKMWTJ-LBPRGKRZSA-N 1 1 297.424 3.142 20 30 CGEDMO CCCCOc1cc(C[NH2+]C[C@@H](C)C#N)ccc1OC ZINC000183829420 374462262 /nfs/dbraw/zinc/46/22/62/374462262.db2.gz LBVHFHWJWTYUIK-ZDUSSCGKSA-N 1 1 276.380 3.123 20 30 CGEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C(C)(C)C1 ZINC000331022723 374497785 /nfs/dbraw/zinc/49/77/85/374497785.db2.gz ZJADWTLRFVTPCI-CYBMUJFWSA-N 1 1 285.391 3.007 20 30 CGEDMO CC[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1nccs1 ZINC000185108533 374590120 /nfs/dbraw/zinc/59/01/20/374590120.db2.gz CHIFBOKGKNULFQ-CYBMUJFWSA-N 1 1 275.352 3.395 20 30 CGEDMO CC[C@H]1[C@@H](C)CC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000185634814 374702213 /nfs/dbraw/zinc/70/22/13/374702213.db2.gz FQTIBNAEGPHRSF-AAEUAGOBSA-N 1 1 291.420 3.069 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CCCC3(CCCC3)C2)n1 ZINC000334385000 374703803 /nfs/dbraw/zinc/70/38/03/374703803.db2.gz MGLOHSMNXLNPOG-UHFFFAOYSA-N 1 1 261.394 3.171 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCCC3(CCCC3)C2)n1 ZINC000334385000 374703808 /nfs/dbraw/zinc/70/38/08/374703808.db2.gz MGLOHSMNXLNPOG-UHFFFAOYSA-N 1 1 261.394 3.171 20 30 CGEDMO N#C[C@@H]1CCC[C@H](Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000185736262 374726682 /nfs/dbraw/zinc/72/66/82/374726682.db2.gz NRTQWUNAZHILDC-AEFFLSMTSA-N 1 1 299.418 3.013 20 30 CGEDMO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000187065226 374964245 /nfs/dbraw/zinc/96/42/45/374964245.db2.gz MXGLZIKBRSHCOQ-HZPDHXFCSA-N 1 1 292.810 3.337 20 30 CGEDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000187065226 374964250 /nfs/dbraw/zinc/96/42/50/374964250.db2.gz MXGLZIKBRSHCOQ-HZPDHXFCSA-N 1 1 292.810 3.337 20 30 CGEDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@@H](C)C#N ZINC000470174397 374995694 /nfs/dbraw/zinc/99/56/94/374995694.db2.gz KLQNIMSBYNQHCG-WHGQRRHOSA-N 1 1 273.336 3.090 20 30 CGEDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@@H](C)C#N ZINC000470174397 374995697 /nfs/dbraw/zinc/99/56/97/374995697.db2.gz KLQNIMSBYNQHCG-WHGQRRHOSA-N 1 1 273.336 3.090 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000470763575 374999327 /nfs/dbraw/zinc/99/93/27/374999327.db2.gz FDBUMCMSTLZBJF-CQSZACIVSA-N 1 1 295.810 3.386 20 30 CGEDMO C=CCOCCC[N@H+](CCc1cccc(F)c1)C1CC1 ZINC000470767098 374999628 /nfs/dbraw/zinc/99/96/28/374999628.db2.gz TYXIWIQLCIBSTQ-UHFFFAOYSA-N 1 1 277.383 3.425 20 30 CGEDMO CO[C@]1(C)CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000470913388 375000721 /nfs/dbraw/zinc/00/07/21/375000721.db2.gz OMHSCLAGXFEHOB-MRXNPFEDSA-N 1 1 277.795 3.192 20 30 CGEDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC#Cc1ccccc1 ZINC000470939110 375000743 /nfs/dbraw/zinc/00/07/43/375000743.db2.gz BWSBFHKWWYTYAN-JSGCOSHPSA-N 1 1 267.294 3.311 20 30 CGEDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC#Cc1ccccc1 ZINC000470939110 375000749 /nfs/dbraw/zinc/00/07/49/375000749.db2.gz BWSBFHKWWYTYAN-JSGCOSHPSA-N 1 1 267.294 3.311 20 30 CGEDMO C=CCCCCNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000471701689 375006992 /nfs/dbraw/zinc/00/69/92/375006992.db2.gz JKWMAZYRENBOBC-OAHLLOKOSA-N 1 1 294.826 3.415 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](CC)Cc1cccc(Cl)c1 ZINC000472744795 375032315 /nfs/dbraw/zinc/03/23/15/375032315.db2.gz DEROVKNVWNFEOR-OAHLLOKOSA-N 1 1 267.800 3.489 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000472737151 375032429 /nfs/dbraw/zinc/03/24/29/375032429.db2.gz OZNSAFAPWRAQHN-ZWKOTPCHSA-N 1 1 273.420 3.367 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000472752657 375034339 /nfs/dbraw/zinc/03/43/39/375034339.db2.gz PVMNMGVRQOBRCL-MSOLQXFVSA-N 1 1 273.420 3.411 20 30 CGEDMO C=CCCN(C)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000467009253 374972849 /nfs/dbraw/zinc/97/28/49/374972849.db2.gz MFTYHDAUKQIERV-OAHLLOKOSA-N 1 1 295.471 3.105 20 30 CGEDMO C[N@H+](CC#Cc1ccccc1)CCOc1ccc(F)cc1 ZINC000483536954 375183349 /nfs/dbraw/zinc/18/33/49/375183349.db2.gz LBYOTWSYENJTBS-UHFFFAOYSA-N 1 1 283.346 3.188 20 30 CGEDMO CN(CC[N@@H+](C)CC#Cc1ccccc1)c1ccccc1 ZINC000483990781 375185243 /nfs/dbraw/zinc/18/52/43/375185243.db2.gz YXZVWMNILOMRMB-UHFFFAOYSA-N 1 1 278.399 3.106 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cc2c(c(Br)c1)OCO2 ZINC000481328695 375163594 /nfs/dbraw/zinc/16/35/94/375163594.db2.gz DGQAUCJRYQCFMJ-UHFFFAOYSA-N 1 1 298.180 3.186 20 30 CGEDMO C=CCC[C@H](C(=O)N1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000188699391 375255439 /nfs/dbraw/zinc/25/54/39/375255439.db2.gz GCZMNZVIYZGUOE-SFHVURJKSA-N 1 1 298.430 3.043 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](O)C23CCCC3)c(Cl)c1 ZINC000335226598 375244012 /nfs/dbraw/zinc/24/40/12/375244012.db2.gz BOMXQSFVXZXAOK-HNNXBMFYSA-N 1 1 290.794 3.091 20 30 CGEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CC#Cc2ccccc2)C1(C)C ZINC000483970492 375185394 /nfs/dbraw/zinc/18/53/94/375185394.db2.gz CGRGXNTZLHQXFH-IAGOWNOFSA-N 1 1 271.404 3.174 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)cc1F ZINC000335204857 375225475 /nfs/dbraw/zinc/22/54/75/375225475.db2.gz PUEQNKNUUCIUTM-MRXNPFEDSA-N 1 1 269.323 3.363 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)cc1F ZINC000335204857 375225482 /nfs/dbraw/zinc/22/54/82/375225482.db2.gz PUEQNKNUUCIUTM-MRXNPFEDSA-N 1 1 269.323 3.363 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3cccnc3)C2)c(F)c1 ZINC000335420739 375278638 /nfs/dbraw/zinc/27/86/38/375278638.db2.gz SOFWZLXCIQBZLR-HNNXBMFYSA-N 1 1 281.334 3.082 20 30 CGEDMO COCC[N@@H+](CCCC(C)(C)C#N)[C@H]1CCC[C@H]1C ZINC000487964937 375288040 /nfs/dbraw/zinc/28/80/40/375288040.db2.gz VIUWMBOPNRBRRU-CABCVRRESA-N 1 1 266.429 3.453 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1CCC[C@H]1C ZINC000487971988 375290229 /nfs/dbraw/zinc/29/02/29/375290229.db2.gz LHGIBWRVQTWFNG-CXAGYDPISA-N 1 1 290.382 3.334 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000488125759 375305264 /nfs/dbraw/zinc/30/52/64/375305264.db2.gz MAGKZWPMANAOIW-INIZCTEOSA-N 1 1 251.414 3.481 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N(C)CC1CCCCC1 ZINC000489421248 375315906 /nfs/dbraw/zinc/31/59/06/375315906.db2.gz CQIQBJLWMNXOBQ-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3cccnc3)C2)cc1F ZINC000335413898 375273343 /nfs/dbraw/zinc/27/33/43/375273343.db2.gz CQDZLSPALDXLFS-MRXNPFEDSA-N 1 1 281.334 3.082 20 30 CGEDMO C=CC[N@@H+](C)[C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000494704708 375492513 /nfs/dbraw/zinc/49/25/13/375492513.db2.gz WFQQRXDMWNQZSL-GOSISDBHSA-N 1 1 294.398 3.162 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000494704708 375492523 /nfs/dbraw/zinc/49/25/23/375492523.db2.gz WFQQRXDMWNQZSL-GOSISDBHSA-N 1 1 294.398 3.162 20 30 CGEDMO C[C@@H]1CC[C@](CO)([N@@H+](C)CC#Cc2ccccc2Cl)C1 ZINC000495203093 375497420 /nfs/dbraw/zinc/49/74/20/375497420.db2.gz QFFIPQQJLPIRQW-PBHICJAKSA-N 1 1 291.822 3.174 20 30 CGEDMO C[C@@H]1CC[C@@](CO)([N@@H+](C)CC#Cc2ccccc2Cl)C1 ZINC000495203094 375497615 /nfs/dbraw/zinc/49/76/15/375497615.db2.gz QFFIPQQJLPIRQW-RHSMWYFYSA-N 1 1 291.822 3.174 20 30 CGEDMO C=C[C@@H]1CCCCN1C(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC000495231314 375499535 /nfs/dbraw/zinc/49/95/35/375499535.db2.gz OLGYKGLAOBRZQG-JKSUJKDBSA-N 1 1 293.455 3.001 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000190610612 375523485 /nfs/dbraw/zinc/52/34/85/375523485.db2.gz NNYAOGBVDXTNCX-DOTOQJQBSA-N 1 1 280.456 3.360 20 30 CGEDMO C[C@@H](CC#N)[N@H+](C)C[C@@H]1CCC2(CCCCC2)O1 ZINC000190982725 375558995 /nfs/dbraw/zinc/55/89/95/375558995.db2.gz QHNWVHOZRQOVOL-KBPBESRZSA-N 1 1 250.386 3.102 20 30 CGEDMO C[C@@H](CC#N)[N@@H+](C)C[C@@H]1CCC2(CCCCC2)O1 ZINC000190982725 375559001 /nfs/dbraw/zinc/55/90/01/375559001.db2.gz QHNWVHOZRQOVOL-KBPBESRZSA-N 1 1 250.386 3.102 20 30 CGEDMO C[C@H]1C[N@H+](Cc2cc(C#N)cs2)CCC1(F)F ZINC000336011942 375616504 /nfs/dbraw/zinc/61/65/04/375616504.db2.gz FTHSTXXFCXHAFR-VIFPVBQESA-N 1 1 256.321 3.097 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cc(C#N)cs2)CCC1(F)F ZINC000336011942 375616509 /nfs/dbraw/zinc/61/65/09/375616509.db2.gz FTHSTXXFCXHAFR-VIFPVBQESA-N 1 1 256.321 3.097 20 30 CGEDMO CC(C)[C@H]1CCC[N@@H+](Cc2cc(C#N)n(C)c2)CC1 ZINC000191368505 375618889 /nfs/dbraw/zinc/61/88/89/375618889.db2.gz FCOBJJBDGORMSA-HNNXBMFYSA-N 1 1 259.397 3.155 20 30 CGEDMO CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191401430 375624297 /nfs/dbraw/zinc/62/42/97/375624297.db2.gz LQVVROWUIWOLMR-QGZVFWFLSA-N 1 1 281.403 3.350 20 30 CGEDMO CC[N@H+]1C[C@H](C)N(CC#Cc2ccc(Cl)cc2)C[C@@H]1C ZINC000498918034 375628110 /nfs/dbraw/zinc/62/81/10/375628110.db2.gz ZTYZGTUELOHGTG-GJZGRUSLSA-N 1 1 290.838 3.106 20 30 CGEDMO COc1ccccc1[C@H]1CCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191312730 375609674 /nfs/dbraw/zinc/60/96/74/375609674.db2.gz UVQBRZAIBDESHY-QGZVFWFLSA-N 1 1 295.386 3.242 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cc(C)nc2ccccc12 ZINC000191760212 375660553 /nfs/dbraw/zinc/66/05/53/375660553.db2.gz PLFTVPLLIHQVMS-UHFFFAOYSA-N 1 1 270.376 3.178 20 30 CGEDMO C[C@@H](C#N)C[N@H+](C)CCC(=O)Nc1cccc2ccccc21 ZINC000505775846 375661720 /nfs/dbraw/zinc/66/17/20/375661720.db2.gz FHARPFNWZGGIHL-AWEZNQCLSA-N 1 1 295.386 3.260 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C)CCC(=O)Nc1cccc2ccccc21 ZINC000505775846 375661723 /nfs/dbraw/zinc/66/17/23/375661723.db2.gz FHARPFNWZGGIHL-AWEZNQCLSA-N 1 1 295.386 3.260 20 30 CGEDMO CC1(C)C[N@@H+](CC2(C#N)CC2)C[C@@H]1c1ccccc1 ZINC000501536569 375639522 /nfs/dbraw/zinc/63/95/22/375639522.db2.gz HJZJFZCLFVIISB-OAHLLOKOSA-N 1 1 254.377 3.416 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2C2CCC2)cc1F ZINC000191989886 375687602 /nfs/dbraw/zinc/68/76/02/375687602.db2.gz PUXJHXACFYCPGQ-INIZCTEOSA-N 1 1 258.340 3.462 20 30 CGEDMO C[C@@]12CC[N@@H+](Cc3cccc(C#N)c3)C[C@@H]1C2(F)F ZINC000336114808 375697010 /nfs/dbraw/zinc/69/70/10/375697010.db2.gz CEVLJSIACTXSPU-UONOGXRCSA-N 1 1 262.303 3.035 20 30 CGEDMO C=C(C)CC[N@@H+](C)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000509136866 375772357 /nfs/dbraw/zinc/77/23/57/375772357.db2.gz JDETWMLEFWVHLG-INIZCTEOSA-N 1 1 275.392 3.059 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000509136866 375772362 /nfs/dbraw/zinc/77/23/62/375772362.db2.gz JDETWMLEFWVHLG-INIZCTEOSA-N 1 1 275.392 3.059 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000511640277 375791281 /nfs/dbraw/zinc/79/12/81/375791281.db2.gz LPVJOGKMDPTBCS-RWMBFGLXSA-N 1 1 279.346 3.224 20 30 CGEDMO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000336615858 375877295 /nfs/dbraw/zinc/87/72/95/375877295.db2.gz JAQXKRKSWNHHHO-JOYOIKCWSA-N 1 1 286.272 3.470 20 30 CGEDMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000336615858 375877300 /nfs/dbraw/zinc/87/73/00/375877300.db2.gz JAQXKRKSWNHHHO-JOYOIKCWSA-N 1 1 286.272 3.470 20 30 CGEDMO CCc1cccc(OCC[N@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000533598105 375957664 /nfs/dbraw/zinc/95/76/64/375957664.db2.gz UBMMKNHUGULXAY-AWEZNQCLSA-N 1 1 272.392 3.252 20 30 CGEDMO CCc1cccc(OCC[N@@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000533598105 375957671 /nfs/dbraw/zinc/95/76/71/375957671.db2.gz UBMMKNHUGULXAY-AWEZNQCLSA-N 1 1 272.392 3.252 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000529623870 375930755 /nfs/dbraw/zinc/93/07/55/375930755.db2.gz WJPJNFFCSFLWLC-CYBMUJFWSA-N 1 1 253.349 3.294 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](C2CCCCC2)C[C@H]1C(=O)OC ZINC000530733778 375943260 /nfs/dbraw/zinc/94/32/60/375943260.db2.gz YUTGVLJDGNZAGJ-CABCVRRESA-N 1 1 265.397 3.006 20 30 CGEDMO CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000336852042 376013330 /nfs/dbraw/zinc/01/33/30/376013330.db2.gz IAUHVKXMAICUKK-OAHLLOKOSA-N 1 1 299.418 3.399 20 30 CGEDMO C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337182065 376120440 /nfs/dbraw/zinc/12/04/40/376120440.db2.gz BEGSBDPZUVROMW-OAGGEKHMSA-N 1 1 278.440 3.453 20 30 CGEDMO CCC[C@@H](C)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000337144047 376098022 /nfs/dbraw/zinc/09/80/22/376098022.db2.gz ZMHNRUFNFRUQSX-CQSZACIVSA-N 1 1 252.402 3.207 20 30 CGEDMO C=CCN1CC[C@H]([N@H+](CCC)[C@H]2CCc3ccccc32)C1=O ZINC000337122545 376084028 /nfs/dbraw/zinc/08/40/28/376084028.db2.gz BLXAGKGLEKBGFM-ROUUACIJSA-N 1 1 298.430 3.173 20 30 CGEDMO N#CC1(CCC[N@@H+](CC2CC2)C2CCC2)CCOCC1 ZINC000337232965 376154139 /nfs/dbraw/zinc/15/41/39/376154139.db2.gz JWIWBPCTJIVYDO-UHFFFAOYSA-N 1 1 276.424 3.351 20 30 CGEDMO CC[N@@H+](Cc1ccncc1)Cc1ccc(F)c(C#N)c1 ZINC000218153648 376184902 /nfs/dbraw/zinc/18/49/02/376184902.db2.gz IOEDYUVOKIRJRC-UHFFFAOYSA-N 1 1 269.323 3.114 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCOC2(C1)CCCCCC2 ZINC000539587735 376320259 /nfs/dbraw/zinc/32/02/59/376320259.db2.gz FVTCFABACUFYQX-UHFFFAOYSA-N 1 1 264.413 3.351 20 30 CGEDMO CC[N@H+]1C[C@H](C)N(c2ccc3cc(C#N)ccc3n2)C[C@H]1C ZINC000538978751 376283499 /nfs/dbraw/zinc/28/34/99/376283499.db2.gz JDKGBFGFWQWKAJ-KGLIPLIRSA-N 1 1 294.402 3.025 20 30 CGEDMO C=CCC[N@H+]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000338543772 376416960 /nfs/dbraw/zinc/41/69/60/376416960.db2.gz DPRZIZSUTQZKSA-UHFFFAOYSA-N 1 1 258.409 3.159 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c1 ZINC000228012595 376422826 /nfs/dbraw/zinc/42/28/26/376422826.db2.gz OJMBCRFSGBBAKP-XJKSGUPXSA-N 1 1 258.340 3.462 20 30 CGEDMO C[C@@H](NCC[N@@H+](C)C1CCCCC1)c1ccc(C#N)cc1 ZINC000540597331 376384562 /nfs/dbraw/zinc/38/45/62/376384562.db2.gz MFXSLAGVABKSHO-OAHLLOKOSA-N 1 1 285.435 3.473 20 30 CGEDMO C[C@@H]([NH2+]CCN(C)C1CCCCC1)c1ccc(C#N)cc1 ZINC000540597331 376384568 /nfs/dbraw/zinc/38/45/68/376384568.db2.gz MFXSLAGVABKSHO-OAHLLOKOSA-N 1 1 285.435 3.473 20 30 CGEDMO N#Cc1cc(NCC[N@@H+]2CC=CCC2)ccc1C(F)(F)F ZINC000338713301 376493667 /nfs/dbraw/zinc/49/36/67/376493667.db2.gz PYVKBMHKMNBKFS-UHFFFAOYSA-N 1 1 295.308 3.251 20 30 CGEDMO C=CC[N@H+](Cc1cnc(-c2ccccc2)nc1)C1CC1 ZINC000542695793 376570847 /nfs/dbraw/zinc/57/08/47/376570847.db2.gz DUPFAVAOJAGJME-UHFFFAOYSA-N 1 1 265.360 3.294 20 30 CGEDMO C=CC[N@@H+](Cc1cnc(-c2ccccc2)nc1)C1CC1 ZINC000542695793 376570848 /nfs/dbraw/zinc/57/08/48/376570848.db2.gz DUPFAVAOJAGJME-UHFFFAOYSA-N 1 1 265.360 3.294 20 30 CGEDMO C[C@@H]1C[N@@H+](CCOc2ccc(C#N)cc2)[C@H]2CCCC[C@@H]12 ZINC000543903032 376686436 /nfs/dbraw/zinc/68/64/36/376686436.db2.gz MNPKDJBVFAQOIA-JLSDUUJJSA-N 1 1 284.403 3.448 20 30 CGEDMO C[N@@H+](Cc1cc(F)cc(F)c1)[C@H]1CC[C@@H](C#N)C1 ZINC000339127483 376697274 /nfs/dbraw/zinc/69/72/74/376697274.db2.gz FPCIJUPELNYAIA-YGRLFVJLSA-N 1 1 250.292 3.089 20 30 CGEDMO C=C1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000264498744 190114209 /nfs/dbraw/zinc/11/42/09/190114209.db2.gz VDBNRHPKYNISCV-UONOGXRCSA-N 1 1 290.382 3.043 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]Cc1c(C)onc1CC ZINC000339439125 376757193 /nfs/dbraw/zinc/75/71/93/376757193.db2.gz RKXQIUUJRAJONE-UHFFFAOYSA-N 1 1 286.375 3.400 20 30 CGEDMO Cc1ccc2c(c1)C[N@H+](CCOCCC#N)C(C)(C)C2 ZINC000339638307 376777926 /nfs/dbraw/zinc/77/79/26/376777926.db2.gz OBKNTBBQQOOIEO-UHFFFAOYSA-N 1 1 272.392 3.062 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@@H](CC3CC3)C2)cc1C#N ZINC000339684159 376808832 /nfs/dbraw/zinc/80/88/32/376808832.db2.gz QJONXHBTKKMQKK-HNNXBMFYSA-N 1 1 270.376 3.189 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)cc1 ZINC000245741552 376898023 /nfs/dbraw/zinc/89/80/23/376898023.db2.gz LURAASCXQJMWML-PKOBYXMFSA-N 1 1 299.414 3.090 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(Cl)cc1)C[C@H]1CCCC[C@H]1O ZINC000245525679 376841967 /nfs/dbraw/zinc/84/19/67/376841967.db2.gz ABQNINGDNZDQQP-NVXWUHKLSA-N 1 1 291.822 3.174 20 30 CGEDMO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000246524509 377047965 /nfs/dbraw/zinc/04/79/65/377047965.db2.gz JBATXTWGUOMLCI-WBVHZDCISA-N 1 1 282.391 3.006 20 30 CGEDMO N#CCC[C@H](C#N)C[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000246524509 377047969 /nfs/dbraw/zinc/04/79/69/377047969.db2.gz JBATXTWGUOMLCI-WBVHZDCISA-N 1 1 282.391 3.006 20 30 CGEDMO N#CCC[C@H](C#N)C[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000246829439 377100365 /nfs/dbraw/zinc/10/03/65/377100365.db2.gz XGGVLMJBKJPPBI-HZPDHXFCSA-N 1 1 257.381 3.252 20 30 CGEDMO CCN(CC[C@H]1CCC[N@@H+]1C)[C@H](C)c1ccc(C#N)cc1 ZINC000247113910 377162856 /nfs/dbraw/zinc/16/28/56/377162856.db2.gz LTZCNUWSOSMVEC-CRAIPNDOSA-N 1 1 285.435 3.425 20 30 CGEDMO CCN(CC[C@H]1CCC[N@H+]1C)[C@H](C)c1ccc(C#N)cc1 ZINC000247113910 377162859 /nfs/dbraw/zinc/16/28/59/377162859.db2.gz LTZCNUWSOSMVEC-CRAIPNDOSA-N 1 1 285.435 3.425 20 30 CGEDMO CC[N@H+](CC[C@H]1CCCN1C)[C@H](C)c1ccc(C#N)cc1 ZINC000247113910 377162862 /nfs/dbraw/zinc/16/28/62/377162862.db2.gz LTZCNUWSOSMVEC-CRAIPNDOSA-N 1 1 285.435 3.425 20 30 CGEDMO CC[N@@H+](CC[C@H]1CCCN1C)[C@H](C)c1ccc(C#N)cc1 ZINC000247113910 377162867 /nfs/dbraw/zinc/16/28/67/377162867.db2.gz LTZCNUWSOSMVEC-CRAIPNDOSA-N 1 1 285.435 3.425 20 30 CGEDMO C=CC[C@H](C)[C@H](C)[NH2+][C@H](CC)C(=O)OC(C)(C)C ZINC000561712568 377241028 /nfs/dbraw/zinc/24/10/28/377241028.db2.gz KCGWISQBWPOCRX-RWMBFGLXSA-N 1 1 255.402 3.297 20 30 CGEDMO CC[C@@H](C)[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCO ZINC000561926227 377253517 /nfs/dbraw/zinc/25/35/17/377253517.db2.gz YNIUSGLTTFXNOD-CYBMUJFWSA-N 1 1 299.336 3.150 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000248144888 377271250 /nfs/dbraw/zinc/27/12/50/377271250.db2.gz ZHVFXBQKYCKMTK-GOEBONIOSA-N 1 1 295.810 3.120 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000562360425 377300890 /nfs/dbraw/zinc/30/08/90/377300890.db2.gz BYPSIFUJGKIUGX-OAHLLOKOSA-N 1 1 267.376 3.487 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+](C)Cc1nc([C@H](C)OCC)no1 ZINC000340882027 377301770 /nfs/dbraw/zinc/30/17/70/377301770.db2.gz VUGWIRREWRSMSY-STQMWFEESA-N 1 1 281.400 3.344 20 30 CGEDMO C=CCCC[C@H](C)[N@H+](C)Cc1nc([C@H](C)OCC)no1 ZINC000340882027 377301774 /nfs/dbraw/zinc/30/17/74/377301774.db2.gz VUGWIRREWRSMSY-STQMWFEESA-N 1 1 281.400 3.344 20 30 CGEDMO CC#CCC[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000248389788 377303285 /nfs/dbraw/zinc/30/32/85/377303285.db2.gz GXPZAVAGTNSPFI-HUUCEWRRSA-N 1 1 298.213 3.297 20 30 CGEDMO N#Cc1ccc(C[N@@H+](CC2CC2)C2CCCCC2)nc1 ZINC000562383643 377305899 /nfs/dbraw/zinc/30/58/99/377305899.db2.gz DKTZXIXXPDPEIS-UHFFFAOYSA-N 1 1 269.392 3.498 20 30 CGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCC[C@H](C)C1 ZINC000248566666 377349314 /nfs/dbraw/zinc/34/93/14/377349314.db2.gz OYZDWDZGPDDNKG-UONOGXRCSA-N 1 1 285.391 3.007 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248970368 377435940 /nfs/dbraw/zinc/43/59/40/377435940.db2.gz SQIVMEXVXBVHTA-QILLFSRXSA-N 1 1 290.451 3.064 20 30 CGEDMO Cn1ccnc1[C@@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000565155302 377483488 /nfs/dbraw/zinc/48/34/88/377483488.db2.gz DABOPCQFCUSQPG-OAHLLOKOSA-N 1 1 286.423 3.074 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000249281885 377487011 /nfs/dbraw/zinc/48/70/11/377487011.db2.gz NTXRIONJEIZIGP-MAUKXSAKSA-N 1 1 285.435 3.425 20 30 CGEDMO C=CC[N@@H+](CC1CCCCC1)[C@H](C)c1nccc(N)n1 ZINC000568169412 377513367 /nfs/dbraw/zinc/51/33/67/377513367.db2.gz JDZYKKUHDGKKPT-CYBMUJFWSA-N 1 1 274.412 3.018 20 30 CGEDMO N#Cc1ccc(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000298455823 249077173 /nfs/dbraw/zinc/07/71/73/249077173.db2.gz JBZXBFJINKJEFS-KRWDZBQOSA-N 1 1 292.386 3.030 20 30 CGEDMO CC(C)O[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000570448252 377536071 /nfs/dbraw/zinc/53/60/71/377536071.db2.gz QZSRDFNXBILHQM-MRXNPFEDSA-N 1 1 277.795 3.191 20 30 CGEDMO C=CCCc1ccccc1NC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000571819578 377543123 /nfs/dbraw/zinc/54/31/23/377543123.db2.gz DXGOHAJMRHLLOC-CQSZACIVSA-N 1 1 272.392 3.084 20 30 CGEDMO C[C@@H]1Cc2c([nH+]cn2Cc2cccc(C#N)c2)C[C@@H]1C ZINC000313370996 249091227 /nfs/dbraw/zinc/09/12/27/249091227.db2.gz PSVRDOHFBKXGIC-QWHCGFSZSA-N 1 1 265.360 3.174 20 30 CGEDMO C=CCOCC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)C1CC1 ZINC000572608199 377549553 /nfs/dbraw/zinc/54/95/53/377549553.db2.gz ZAENBVDGXPBZTM-HNNXBMFYSA-N 1 1 289.419 3.498 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000573411532 377556124 /nfs/dbraw/zinc/55/61/24/377556124.db2.gz RZBDFAFEKZGRPO-HUUCEWRRSA-N 1 1 267.413 3.001 20 30 CGEDMO CCC[N@@H+](CCCC1(C#N)CCOCC1)C(C)C ZINC000573740107 377568620 /nfs/dbraw/zinc/56/86/20/377568620.db2.gz FIRVFICMLQPKEQ-UHFFFAOYSA-N 1 1 252.402 3.207 20 30 CGEDMO N#Cc1ccc(C[N@H+](C[C@H]2CCCC[C@H]2O)C2CC2)cc1 ZINC000518192707 249276740 /nfs/dbraw/zinc/27/67/40/249276740.db2.gz PONRZNLCRAAATJ-SJLPKXTDSA-N 1 1 284.403 3.074 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000341992104 377626268 /nfs/dbraw/zinc/62/62/68/377626268.db2.gz OLGNYYYRGAAMAZ-WMLDXEAASA-N 1 1 270.376 3.122 20 30 CGEDMO C[C@H]1c2ccccc2CC[N@H+]1Cc1ccc(C#N)cn1 ZINC000574168698 377630762 /nfs/dbraw/zinc/63/07/62/377630762.db2.gz AYFXUYTXFHJMNT-ZDUSSCGKSA-N 1 1 263.344 3.073 20 30 CGEDMO C[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000574168698 377630768 /nfs/dbraw/zinc/63/07/68/377630768.db2.gz AYFXUYTXFHJMNT-ZDUSSCGKSA-N 1 1 263.344 3.073 20 30 CGEDMO O[C@@H]1CCC[C@H]1[C@H]1CCCC[N@H+]1CC#Cc1ccccc1 ZINC000253086052 377671838 /nfs/dbraw/zinc/67/18/38/377671838.db2.gz AJLWXQVUYWEWOK-IPMKNSEASA-N 1 1 283.415 3.054 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000342766109 377778937 /nfs/dbraw/zinc/77/89/37/377778937.db2.gz SHUIOANNPXMEMC-CYBMUJFWSA-N 1 1 287.325 3.117 20 30 CGEDMO C[C@@H](CNCc1ccc(C#N)cc1F)[N@H+]1CCCC[C@@H]1C ZINC000343281586 377946872 /nfs/dbraw/zinc/94/68/72/377946872.db2.gz FEILWQIEXRLXNR-KBPBESRZSA-N 1 1 289.398 3.050 20 30 CGEDMO C[C@@H](C[NH2+]Cc1ccc(C#N)cc1F)N1CCCC[C@@H]1C ZINC000343281586 377946877 /nfs/dbraw/zinc/94/68/77/377946877.db2.gz FEILWQIEXRLXNR-KBPBESRZSA-N 1 1 289.398 3.050 20 30 CGEDMO COc1cccc(C[N@@H+](C)Cc2ccc(OCC#N)cc2)c1 ZINC000264116570 377957370 /nfs/dbraw/zinc/95/73/70/377957370.db2.gz KBHHICXQZGYCHP-UHFFFAOYSA-N 1 1 296.370 3.230 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000265634466 378005961 /nfs/dbraw/zinc/00/59/61/378005961.db2.gz QFBCJRKCEYTGGQ-INIZCTEOSA-N 1 1 299.418 3.220 20 30 CGEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(CC#N)cc2)C1(C)C ZINC000343524283 378006265 /nfs/dbraw/zinc/00/62/65/378006265.db2.gz JGKLXSNXPDMCQP-SJORKVTESA-N 1 1 286.419 3.388 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)[C@H](C)C1 ZINC000265866699 378011200 /nfs/dbraw/zinc/01/12/00/378011200.db2.gz UHUWDFIVBCKELE-ZIAGYGMSSA-N 1 1 258.365 3.209 20 30 CGEDMO N#CCc1ccc(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000343540393 378012625 /nfs/dbraw/zinc/01/26/25/378012625.db2.gz RHIHRQSBUMKCMJ-QGZVFWFLSA-N 1 1 298.411 3.388 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000343540393 378012628 /nfs/dbraw/zinc/01/26/28/378012628.db2.gz RHIHRQSBUMKCMJ-QGZVFWFLSA-N 1 1 298.411 3.388 20 30 CGEDMO N#CCc1ccc(C[N@@H+]2CCC[C@H]2CN2CCCCC2)cc1 ZINC000343548886 378016503 /nfs/dbraw/zinc/01/65/03/378016503.db2.gz IYSXBPSZJMSIHF-IBGZPJMESA-N 1 1 297.446 3.203 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCC[C@H]2CN2CCCCC2)cc1 ZINC000343548886 378016507 /nfs/dbraw/zinc/01/65/07/378016507.db2.gz IYSXBPSZJMSIHF-IBGZPJMESA-N 1 1 297.446 3.203 20 30 CGEDMO Cc1ccnc(NC[C@H]2CCC[N@H+](CC(C)C)C2)c1C#N ZINC000343435864 377977932 /nfs/dbraw/zinc/97/79/32/377977932.db2.gz KYZRJKAFHWGXDU-OAHLLOKOSA-N 1 1 286.423 3.042 20 30 CGEDMO C[C@@H](C#N)C[N@H+](CCc1cccc(F)c1F)C1CC1 ZINC000343440264 377979539 /nfs/dbraw/zinc/97/95/39/377979539.db2.gz ZYYGRPOGHLKACO-NSHDSACASA-N 1 1 264.319 3.131 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](CCc1cccc(F)c1F)C1CC1 ZINC000343440264 377979542 /nfs/dbraw/zinc/97/95/42/377979542.db2.gz ZYYGRPOGHLKACO-NSHDSACASA-N 1 1 264.319 3.131 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(OCCC)c(OC)c1 ZINC000343448013 377981769 /nfs/dbraw/zinc/98/17/69/377981769.db2.gz UHQHOKFKUIWXMT-UHFFFAOYSA-N 1 1 263.381 3.492 20 30 CGEDMO C#CC[N@@H+](CC)[C@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000266941355 378029309 /nfs/dbraw/zinc/02/93/09/378029309.db2.gz RHQAWRFERSZXEN-SNVBAGLBSA-N 1 1 299.201 3.276 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000266941355 378029313 /nfs/dbraw/zinc/02/93/13/378029313.db2.gz RHQAWRFERSZXEN-SNVBAGLBSA-N 1 1 299.201 3.276 20 30 CGEDMO N#Cc1ccc(C[N@H+](CCCCCCO)C2CC2)cc1 ZINC000267528570 378042334 /nfs/dbraw/zinc/04/23/34/378042334.db2.gz PGQLXIZIKFZZML-UHFFFAOYSA-N 1 1 272.392 3.075 20 30 CGEDMO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1cscn1 ZINC000579149715 378134241 /nfs/dbraw/zinc/13/42/41/378134241.db2.gz YMTNHJILNWUOGX-GHMZBOCLSA-N 1 1 257.362 3.427 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000343774444 378088307 /nfs/dbraw/zinc/08/83/07/378088307.db2.gz CGSVWSOYCBUFIQ-LBPRGKRZSA-N 1 1 299.340 3.032 20 30 CGEDMO C[N@@H+](CCNCc1ccc(C#N)cc1F)C1CCCCC1 ZINC000343784083 378089869 /nfs/dbraw/zinc/08/98/69/378089869.db2.gz PXEUKZWHIIFPNP-UHFFFAOYSA-N 1 1 289.398 3.051 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](C3CC3)C2)c1C ZINC000344063135 378157255 /nfs/dbraw/zinc/15/72/55/378157255.db2.gz ZMQGQFDUSHGQJW-INIZCTEOSA-N 1 1 286.419 3.206 20 30 CGEDMO CC[N@@H+](C[C@H](C)C#N)[C@H](CCOC)c1ccccc1 ZINC000345394635 378274876 /nfs/dbraw/zinc/27/48/76/378274876.db2.gz HIITYSYNLJLVIK-GDBMZVCRSA-N 1 1 260.381 3.246 20 30 CGEDMO C[C@H](C#N)C[N@H+](C)CCc1cccc(OC(F)(F)F)c1 ZINC000269614813 378243290 /nfs/dbraw/zinc/24/32/90/378243290.db2.gz ZPXIAOHVPNUFJY-LLVKDONJSA-N 1 1 286.297 3.219 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C)CCc1cccc(OC(F)(F)F)c1 ZINC000269614813 378243295 /nfs/dbraw/zinc/24/32/95/378243295.db2.gz ZPXIAOHVPNUFJY-LLVKDONJSA-N 1 1 286.297 3.219 20 30 CGEDMO C[N@@H+](Cc1cc(F)ccc1C#N)C1Cc2ccccc2C1 ZINC000345767708 378364977 /nfs/dbraw/zinc/36/49/77/378364977.db2.gz HBIIVRMKNLODDY-UHFFFAOYSA-N 1 1 280.346 3.297 20 30 CGEDMO C#CCC[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000270680654 378387289 /nfs/dbraw/zinc/38/72/89/378387289.db2.gz YRQNUEZTTRQGEI-HUUCEWRRSA-N 1 1 277.433 3.440 20 30 CGEDMO CCOc1ccc(/C=N/OCCCn2cc[nH+]c2C)cc1 ZINC000271222005 378484204 /nfs/dbraw/zinc/48/42/04/378484204.db2.gz PJBKMWWZAJAULD-QGOAFFKASA-N 1 1 287.363 3.031 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](COc3ccccc3)C2)o1 ZINC000272506209 378653093 /nfs/dbraw/zinc/65/30/93/378653093.db2.gz IACRWHAPVQCCPW-AWEZNQCLSA-N 1 1 282.343 3.052 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)N(C)Cc1ccc(CC)cc1 ZINC000346959414 378698036 /nfs/dbraw/zinc/69/80/36/378698036.db2.gz JGXYTTITGVYMFP-UHFFFAOYSA-N 1 1 288.435 3.105 20 30 CGEDMO N#CCCC[NH2+][C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000346812090 378690328 /nfs/dbraw/zinc/69/03/28/378690328.db2.gz WHNFUGYXPULBJQ-INIZCTEOSA-N 1 1 269.323 3.203 20 30 CGEDMO C[C@H](CO)[N@@H+](Cc1ccc(Cl)cc1C#N)C1CCCC1 ZINC000347239553 378711629 /nfs/dbraw/zinc/71/16/29/378711629.db2.gz VVESZKVGHYTCLG-GFCCVEGCSA-N 1 1 292.810 3.337 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](C)C[C@H](C)C1 ZINC000347279941 378714623 /nfs/dbraw/zinc/71/46/23/378714623.db2.gz NGXMOEUWHUATDT-KBPBESRZSA-N 1 1 272.392 3.435 20 30 CGEDMO C=CCOCCC[N@@H+]1Cc2ccccc2C[C@H]1CC ZINC000348033728 378759730 /nfs/dbraw/zinc/75/97/30/378759730.db2.gz MIFZTJFYYRTVED-QGZVFWFLSA-N 1 1 259.393 3.416 20 30 CGEDMO C=CCOCCC[N@@H+]1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000348030939 378759870 /nfs/dbraw/zinc/75/98/70/378759870.db2.gz JTZFSHKEZCIQNI-QGZVFWFLSA-N 1 1 293.382 3.100 20 30 CGEDMO C=CCOCCC[N@H+]1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000348030939 378759874 /nfs/dbraw/zinc/75/98/74/378759874.db2.gz JTZFSHKEZCIQNI-QGZVFWFLSA-N 1 1 293.382 3.100 20 30 CGEDMO C=CCOCCC[N@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000348030069 378759915 /nfs/dbraw/zinc/75/99/15/378759915.db2.gz IEKKURYIKBJQAF-LBPRGKRZSA-N 1 1 268.426 3.345 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000348249530 378864510 /nfs/dbraw/zinc/86/45/10/378864510.db2.gz XIMVRZCPEFFETI-ZWNOBZJWSA-N 1 1 298.308 3.340 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000348249526 378864710 /nfs/dbraw/zinc/86/47/10/378864710.db2.gz XIMVRZCPEFFETI-GXFFZTMASA-N 1 1 298.308 3.340 20 30 CGEDMO C=C[C@@H](C)[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC000638749745 378898949 /nfs/dbraw/zinc/89/89/49/378898949.db2.gz QCOTZGLSUAHTKW-MRVPVSSYSA-N 1 1 281.153 3.254 20 30 CGEDMO C=C(C)CC[N@H+](Cc1ccc(O)c(OC)c1)C1CC1 ZINC000274868628 378908981 /nfs/dbraw/zinc/90/89/81/378908981.db2.gz WKFKGQBNIVFSOB-UHFFFAOYSA-N 1 1 261.365 3.331 20 30 CGEDMO C=C(C)C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000274880000 378913458 /nfs/dbraw/zinc/91/34/58/378913458.db2.gz ZNMLZBMUCSYLGL-NVXWUHKLSA-N 1 1 258.409 3.063 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000276902811 379017092 /nfs/dbraw/zinc/01/70/92/379017092.db2.gz DMWTXCYCEWUESK-KRWDZBQOSA-N 1 1 250.345 3.203 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1[C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000639111902 379036670 /nfs/dbraw/zinc/03/66/70/379036670.db2.gz KQIINMAMSNSBQY-LSDHHAIUSA-N 1 1 274.412 3.467 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1[C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000639111902 379036673 /nfs/dbraw/zinc/03/66/73/379036673.db2.gz KQIINMAMSNSBQY-LSDHHAIUSA-N 1 1 274.412 3.467 20 30 CGEDMO N#Cc1cnc(NC[C@H]2CCCC[N@H+]2C2CC2)c(Cl)c1 ZINC000277444450 379160818 /nfs/dbraw/zinc/16/08/18/379160818.db2.gz NOXXPFPOWRDLHY-CYBMUJFWSA-N 1 1 290.798 3.035 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]2C2CC2)cc1 ZINC000371419625 379162167 /nfs/dbraw/zinc/16/21/67/379162167.db2.gz NZQSIXMWKUHRML-GUYCJALGSA-N 1 1 270.376 3.352 20 30 CGEDMO N#Cc1c(Cl)nsc1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000277458256 379165385 /nfs/dbraw/zinc/16/53/85/379165385.db2.gz OVRWAQDDZWBDMW-JTQLQIEISA-N 1 1 296.827 3.097 20 30 CGEDMO C=C(CC)C[NH2+]Cc1nnn(-c2ccccc2)c1C1CC1 ZINC000639240632 379184507 /nfs/dbraw/zinc/18/45/07/379184507.db2.gz ZXHBXOJOLLLLFB-UHFFFAOYSA-N 1 1 282.391 3.201 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2cc(=O)c(OC)co2)CCCC1(C)C ZINC000277749041 379226400 /nfs/dbraw/zinc/22/64/00/379226400.db2.gz LIXLPUZUIISOIV-MRXNPFEDSA-N 1 1 291.391 3.215 20 30 CGEDMO COCC[N@H+](Cc1cccs1)Cc1ccc(C#N)s1 ZINC000349560798 379307065 /nfs/dbraw/zinc/30/70/65/379307065.db2.gz FEBAZBYJANFOIR-UHFFFAOYSA-N 1 1 292.429 3.330 20 30 CGEDMO COCC[N@@H+](Cc1cccs1)Cc1ccc(C#N)s1 ZINC000349560798 379307066 /nfs/dbraw/zinc/30/70/66/379307066.db2.gz FEBAZBYJANFOIR-UHFFFAOYSA-N 1 1 292.429 3.330 20 30 CGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](CC)C1CCC1 ZINC000349743205 379364508 /nfs/dbraw/zinc/36/45/08/379364508.db2.gz JYUVZFWDBAGTHB-KRWDZBQOSA-N 1 1 289.419 3.029 20 30 CGEDMO CC(C)OCCC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000374312561 379416933 /nfs/dbraw/zinc/41/69/33/379416933.db2.gz RZKOLOLKORRIPX-UHFFFAOYSA-N 1 1 284.403 3.462 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(Cl)cc2)n1 ZINC000279666259 379484302 /nfs/dbraw/zinc/48/43/02/379484302.db2.gz DLNVXKWALGBJIZ-UHFFFAOYSA-N 1 1 287.794 3.192 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)Cc2ccc(Cl)cc2)n1 ZINC000279666259 379484305 /nfs/dbraw/zinc/48/43/05/379484305.db2.gz DLNVXKWALGBJIZ-UHFFFAOYSA-N 1 1 287.794 3.192 20 30 CGEDMO FC1(c2cccnc2)CC[NH+](CC#Cc2ccccc2)CC1 ZINC000375360036 379494055 /nfs/dbraw/zinc/49/40/55/379494055.db2.gz DFKTZXDYONFZCN-UHFFFAOYSA-N 1 1 294.373 3.394 20 30 CGEDMO C=CCCC[N@@H+]1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000375699274 379503515 /nfs/dbraw/zinc/50/35/15/379503515.db2.gz VLGGUDFCGQKXKQ-UHFFFAOYSA-N 1 1 294.439 3.428 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)Cc2cc(C)ccc2C)n1 ZINC000279751174 379506818 /nfs/dbraw/zinc/50/68/18/379506818.db2.gz QEAZIOSWNAFHFG-UHFFFAOYSA-N 1 1 281.403 3.155 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)Cc2cc(C)ccc2C)n1 ZINC000279751174 379506825 /nfs/dbraw/zinc/50/68/25/379506825.db2.gz QEAZIOSWNAFHFG-UHFFFAOYSA-N 1 1 281.403 3.155 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)C[C@@H](O)c1ccccc1 ZINC000279798122 379518448 /nfs/dbraw/zinc/51/84/48/379518448.db2.gz WAULQGWVRHRQQJ-QGZVFWFLSA-N 1 1 271.360 3.044 20 30 CGEDMO COc1cc(C#N)ccc1OCC[N@H+]1C[C@H](C)CC1(C)C ZINC000350156201 379521845 /nfs/dbraw/zinc/52/18/45/379521845.db2.gz QICZIGGIBZAYDU-CYBMUJFWSA-N 1 1 288.391 3.066 20 30 CGEDMO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)C(C)(C)C1 ZINC000266927209 190291525 /nfs/dbraw/zinc/29/15/25/190291525.db2.gz KORZYQUGJJTOFJ-CYBMUJFWSA-N 1 1 285.391 3.007 20 30 CGEDMO N#CCC[C@H](C#N)C[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000376491482 379565644 /nfs/dbraw/zinc/56/56/44/379565644.db2.gz LSOLBNRXWYKSGU-CQSZACIVSA-N 1 1 285.366 3.449 20 30 CGEDMO Clc1ccc(C#CC[N@@H+]2CCC[C@@H]2c2cn[nH]c2)cc1 ZINC000639776239 379575472 /nfs/dbraw/zinc/57/54/72/379575472.db2.gz KNMCIOXWQAOESN-MRXNPFEDSA-N 1 1 285.778 3.252 20 30 CGEDMO Clc1ccc(C#CC[N@H+]2CCC[C@@H]2c2cn[nH]c2)cc1 ZINC000639776239 379575474 /nfs/dbraw/zinc/57/54/74/379575474.db2.gz KNMCIOXWQAOESN-MRXNPFEDSA-N 1 1 285.778 3.252 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000351095480 379642368 /nfs/dbraw/zinc/64/23/68/379642368.db2.gz FFWBLAYZXNGVKW-CQSZACIVSA-N 1 1 296.773 3.092 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000351029972 379626654 /nfs/dbraw/zinc/62/66/54/379626654.db2.gz SHGWYUIJHWLREB-KRWDZBQOSA-N 1 1 288.435 3.398 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(O)(Cc2cccc(C)c2)CC1 ZINC000280501093 379719272 /nfs/dbraw/zinc/71/92/72/379719272.db2.gz MWWLPNZGRGQMCS-UHFFFAOYSA-N 1 1 279.811 3.117 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)Cc1cnc(C)nc1 ZINC000352412986 379804092 /nfs/dbraw/zinc/80/40/92/379804092.db2.gz KRJANHICPYSSMN-UHFFFAOYSA-N 1 1 267.376 3.363 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1cnc(C)nc1 ZINC000352412986 379804096 /nfs/dbraw/zinc/80/40/96/379804096.db2.gz KRJANHICPYSSMN-UHFFFAOYSA-N 1 1 267.376 3.363 20 30 CGEDMO C[C@@H]1CSCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000380366711 379863298 /nfs/dbraw/zinc/86/32/98/379863298.db2.gz LOSAEICWYPFJDT-ZDUSSCGKSA-N 1 1 254.443 3.391 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000378358998 379811480 /nfs/dbraw/zinc/81/14/80/379811480.db2.gz FWJZRHGULDCJGJ-HNNXBMFYSA-N 1 1 282.343 3.149 20 30 CGEDMO N#CC1(F)CC[NH+](CCSc2ccccc2F)CC1 ZINC000352451416 379820610 /nfs/dbraw/zinc/82/06/10/379820610.db2.gz WQWNAXFVHMQEOZ-UHFFFAOYSA-N 1 1 282.359 3.245 20 30 CGEDMO CC[N@@H+](CCOc1ccccc1C#N)CC(C)(C)C ZINC000389153066 379893959 /nfs/dbraw/zinc/89/39/59/379893959.db2.gz WMDPCAXLOHHMOX-UHFFFAOYSA-N 1 1 260.381 3.305 20 30 CGEDMO N#Cc1csc(C[NH2+][C@@H](c2ccccc2)C2CC2)n1 ZINC000352823426 379982774 /nfs/dbraw/zinc/98/27/74/379982774.db2.gz NEPRFDWZXUSHCG-HNNXBMFYSA-N 1 1 269.373 3.256 20 30 CGEDMO CCOc1cccc([C@H](C)[NH2+]Cc2nc(C#N)cs2)c1 ZINC000352819930 379980536 /nfs/dbraw/zinc/98/05/36/379980536.db2.gz BJKMYZQPBVALQL-NSHDSACASA-N 1 1 287.388 3.264 20 30 CGEDMO Cc1ccc([C@H](C)[NH2+]Cc2nc(C#N)cs2)c(C)c1 ZINC000352821119 379981214 /nfs/dbraw/zinc/98/12/14/379981214.db2.gz GDBVMWRYHMBNRD-LBPRGKRZSA-N 1 1 271.389 3.482 20 30 CGEDMO C=CCC1(C(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)CCC1 ZINC000352866323 380011457 /nfs/dbraw/zinc/01/14/57/380011457.db2.gz HBKZOSYJWQETNW-UHFFFAOYSA-N 1 1 298.430 3.076 20 30 CGEDMO C[N@@H+](CCC1(C#N)CCCCC1)CC1(O)CCCC1 ZINC000411399294 380142888 /nfs/dbraw/zinc/14/28/88/380142888.db2.gz FXNWJTGJZOEHPG-UHFFFAOYSA-N 1 1 264.413 3.087 20 30 CGEDMO CO[C@H](C[N@@H+](C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000283997534 380114375 /nfs/dbraw/zinc/11/43/75/380114375.db2.gz NJNWCSMHBVNLOQ-GOSISDBHSA-N 1 1 280.371 3.378 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)NC(C)(C)CC ZINC000411137580 380130059 /nfs/dbraw/zinc/13/00/59/380130059.db2.gz OYCHUQOVJMSHQX-ZDUSSCGKSA-N 1 1 294.464 3.429 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)NC(C)(C)CC ZINC000411137580 380130061 /nfs/dbraw/zinc/13/00/61/380130061.db2.gz OYCHUQOVJMSHQX-ZDUSSCGKSA-N 1 1 294.464 3.429 20 30 CGEDMO CC(C)[C@H](CN[C@@H]1CCc2ccc(C#N)cc21)[NH+]1CCCC1 ZINC000353411160 380206801 /nfs/dbraw/zinc/20/68/01/380206801.db2.gz JVVSPJGWKNWGES-MOPGFXCFSA-N 1 1 297.446 3.256 20 30 CGEDMO CC(C)(C#N)CCCC[N@@H+]1CCOC[C@H]1CC(F)F ZINC000353283057 380200994 /nfs/dbraw/zinc/20/09/94/380200994.db2.gz OPIYHBQNNSGSPM-GFCCVEGCSA-N 1 1 274.355 3.062 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCOC[C@H]1CC(F)F ZINC000353283057 380200998 /nfs/dbraw/zinc/20/09/98/380200998.db2.gz OPIYHBQNNSGSPM-GFCCVEGCSA-N 1 1 274.355 3.062 20 30 CGEDMO C[C@H](C[NH+]1CCCCCC1)N[C@H]1CCc2ccc(C#N)cc21 ZINC000353593743 380214692 /nfs/dbraw/zinc/21/46/92/380214692.db2.gz DURXYSBCDYOHTE-BEFAXECRSA-N 1 1 297.446 3.400 20 30 CGEDMO Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000353927876 380239220 /nfs/dbraw/zinc/23/92/20/380239220.db2.gz WRBYJXHUFVVXOF-WMZOPIPTSA-N 1 1 294.402 3.298 20 30 CGEDMO Cc1n[nH]c(C)c1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000353927876 380239225 /nfs/dbraw/zinc/23/92/25/380239225.db2.gz WRBYJXHUFVVXOF-WMZOPIPTSA-N 1 1 294.402 3.298 20 30 CGEDMO C=C1CCN(C(=O)[C@H](CC)[N@@H+](C)Cc2ccccc2)CC1 ZINC000354257857 380378294 /nfs/dbraw/zinc/37/82/94/380378294.db2.gz XXABRPFNDWBRHO-KRWDZBQOSA-N 1 1 286.419 3.076 20 30 CGEDMO C=C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000354193590 380360065 /nfs/dbraw/zinc/36/00/65/380360065.db2.gz ZWWOMEZGABWLAD-MIGBEJBISA-N 1 1 270.420 3.346 20 30 CGEDMO C=CCOCC[N@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000645081431 380573350 /nfs/dbraw/zinc/57/33/50/380573350.db2.gz KJRPCCQWUIBRLR-QZTJIDSGSA-N 1 1 289.419 3.289 20 30 CGEDMO C=CCC(F)(F)c1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1 ZINC000645550864 380703011 /nfs/dbraw/zinc/70/30/11/380703011.db2.gz HSMLUUMTQSAJPQ-FGWVZKOKSA-N 1 1 283.322 3.078 20 30 CGEDMO CC[N@@H+](Cc1nc(C#N)cs1)[C@@H]1CCCC[C@@H]1C ZINC000419248263 380788706 /nfs/dbraw/zinc/78/87/06/380788706.db2.gz CNCVHEPSPOOFNB-WCQYABFASA-N 1 1 263.410 3.415 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCC2(C#N)CCOCC2)[C@@H](C)[C@H]1C ZINC000419352749 380812022 /nfs/dbraw/zinc/81/20/22/380812022.db2.gz KJAYMLLVWOAAFH-ILXRZTDVSA-N 1 1 264.413 3.063 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCSC[C@@H]2C2CCC2)cc1F ZINC000419369722 380817628 /nfs/dbraw/zinc/81/76/28/380817628.db2.gz FXNOXESEYQLOFI-MRXNPFEDSA-N 1 1 290.407 3.415 20 30 CGEDMO C[N@@H+](CCCC(C)(C)C#N)C(C)(C)CN1CCCC1 ZINC000419374245 380819816 /nfs/dbraw/zinc/81/98/16/380819816.db2.gz KGVCCSOXZNMQET-UHFFFAOYSA-N 1 1 265.445 3.123 20 30 CGEDMO CN(CCCC(C)(C)C#N)C(C)(C)C[NH+]1CCCC1 ZINC000419374245 380819822 /nfs/dbraw/zinc/81/98/22/380819822.db2.gz KGVCCSOXZNMQET-UHFFFAOYSA-N 1 1 265.445 3.123 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCSC[C@H]2C2CCC2)ccc1F ZINC000419374061 380820110 /nfs/dbraw/zinc/82/01/10/380820110.db2.gz NQYAMKZFSABOMG-INIZCTEOSA-N 1 1 290.407 3.415 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCSC[C@@H]2C2CCC2)ccc1F ZINC000419374062 380820258 /nfs/dbraw/zinc/82/02/58/380820258.db2.gz NQYAMKZFSABOMG-MRXNPFEDSA-N 1 1 290.407 3.415 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](C(=O)OC(C)(C)C)[C@H]1C ZINC000420935457 380862820 /nfs/dbraw/zinc/86/28/20/380862820.db2.gz YISUUUMJGGGZDQ-CHWSQXEVSA-N 1 1 253.386 3.005 20 30 CGEDMO CC[N@@H+](CCNc1cc(Cl)ccc1C#N)C(C)C ZINC000357242349 381081235 /nfs/dbraw/zinc/08/12/35/381081235.db2.gz VOFMPPVMMCTQSK-UHFFFAOYSA-N 1 1 265.788 3.354 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)[C@H]1C ZINC000357716874 381264046 /nfs/dbraw/zinc/26/40/46/381264046.db2.gz PEMKIXRWZYSIHH-KGLIPLIRSA-N 1 1 267.376 3.431 20 30 CGEDMO CC[C@H](CC#N)[NH2+]C/C=C\c1ccc(F)cc1F ZINC000358278338 381299017 /nfs/dbraw/zinc/29/90/17/381299017.db2.gz MHHOXAYXNLGZGC-DHCBQETCSA-N 1 1 250.292 3.260 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c(Cl)c1 ZINC000334804203 207108280 /nfs/dbraw/zinc/10/82/80/207108280.db2.gz LFZXQNJCQKBAJK-ZBFHGGJFSA-N 1 1 290.794 3.213 20 30 CGEDMO C=C(CC)C[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000358502026 381314011 /nfs/dbraw/zinc/31/40/11/381314011.db2.gz UTPXHEUEPMDPOL-QGZVFWFLSA-N 1 1 259.393 3.325 20 30 CGEDMO C[C@H](CN1CCCCC1)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000358570635 381315398 /nfs/dbraw/zinc/31/53/98/381315398.db2.gz NLFAAKKWABSNAY-KGLIPLIRSA-N 1 1 289.398 3.222 20 30 CGEDMO CC(C)[C@@H]1[N@@H+](Cc2ccc(C#N)cc2)CC12CCOCC2 ZINC000334823342 207140592 /nfs/dbraw/zinc/14/05/92/207140592.db2.gz CBWUJYCERZODQT-KRWDZBQOSA-N 1 1 284.403 3.195 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)C[C@@H]1CCC(C)(C)O1 ZINC000360235983 381492689 /nfs/dbraw/zinc/49/26/89/381492689.db2.gz YGEHBEIXSQPQNV-HNNXBMFYSA-N 1 1 263.381 3.268 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)cc1C#N ZINC000361551818 381798816 /nfs/dbraw/zinc/79/88/16/381798816.db2.gz XTEBYPHOJASZMW-GOEBONIOSA-N 1 1 257.381 3.051 20 30 CGEDMO COCC[N@@H+](Cc1cc(C#N)ccc1F)[C@H]1CC[C@@H](C)C1 ZINC000362157120 381891657 /nfs/dbraw/zinc/89/16/57/381891657.db2.gz OUZHMJNTMJTOCF-CJNGLKHVSA-N 1 1 290.382 3.334 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](CCOc2cccc(C#N)c2)CCS1 ZINC000362384688 381966290 /nfs/dbraw/zinc/96/62/90/381966290.db2.gz JSGOSQOXQZMTAG-MRXNPFEDSA-N 1 1 290.432 3.010 20 30 CGEDMO CCSCC[C@H](C)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000362450913 381998166 /nfs/dbraw/zinc/99/81/66/381998166.db2.gz KSBGGWAAKXEGFP-AWEZNQCLSA-N 1 1 292.448 3.401 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@@H+](CCO)CC1CCCCC1 ZINC000362591189 382070370 /nfs/dbraw/zinc/07/03/70/382070370.db2.gz KYEHHROMCBCYHR-UHFFFAOYSA-N 1 1 290.382 3.072 20 30 CGEDMO Cc1cc(C[N@H+]2CCc3sccc3C2)ccc1C#N ZINC000362937830 382155767 /nfs/dbraw/zinc/15/57/67/382155767.db2.gz DVWJIBZMEOSYFR-UHFFFAOYSA-N 1 1 268.385 3.487 20 30 CGEDMO Cc1ccc(C2CC[NH+](C[C@@H](C#N)CCC#N)CC2)cn1 ZINC000363673366 382245493 /nfs/dbraw/zinc/24/54/93/382245493.db2.gz PHCSBILTSZKEKV-OAHLLOKOSA-N 1 1 282.391 3.013 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000367966197 382361934 /nfs/dbraw/zinc/36/19/34/382361934.db2.gz OJFNZGGSQWPWKU-KBPBESRZSA-N 1 1 264.413 3.206 20 30 CGEDMO C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC2(CC#N)CC2)CC1 ZINC000369706485 382392336 /nfs/dbraw/zinc/39/23/36/382392336.db2.gz KSEQVKQUVMZYNH-WBVHZDCISA-N 1 1 289.467 3.313 20 30 CGEDMO CC[N@@H+](C[C@@H](O)C(C)(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000284257039 285017356 /nfs/dbraw/zinc/01/73/56/285017356.db2.gz LVZFCOBUPIRWIB-CZUORRHYSA-N 1 1 274.408 3.348 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)o1 ZINC000288508877 197098683 /nfs/dbraw/zinc/09/86/83/197098683.db2.gz SUFHQCONIYUVNZ-HNNXBMFYSA-N 1 1 290.750 3.018 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000353200724 542555290 /nfs/dbraw/zinc/55/52/90/542555290.db2.gz CKASZPAHHHGODP-FUHWJXTLSA-N 1 1 298.430 3.270 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCOC2(CCCC2)C1 ZINC000365431231 262364882 /nfs/dbraw/zinc/36/48/82/262364882.db2.gz HNBYTYVTSQMSCA-UHFFFAOYSA-N 1 1 264.413 3.351 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)[C@@H]1c1ccccc1 ZINC000191432838 130235970 /nfs/dbraw/zinc/23/59/70/130235970.db2.gz YDWQCHCIOLCJMG-DYVFJYSZSA-N 1 1 265.360 3.090 20 30 CGEDMO C[C@@H]1CCC[C@H]([N@@H+](C)CCOc2ccccc2C#N)C1 ZINC000048554267 392003379 /nfs/dbraw/zinc/00/33/79/392003379.db2.gz MAFWVWRMLKPWER-ZBFHGGJFSA-N 1 1 272.392 3.448 20 30 CGEDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000055386611 392097535 /nfs/dbraw/zinc/09/75/35/392097535.db2.gz JVPVLGAOLIAOSI-RHSMWYFYSA-N 1 1 272.392 3.448 20 30 CGEDMO C[C@H](NCC[N@@H+](C)C1CCCC1)c1ccc(C#N)cc1 ZINC000071376676 392190337 /nfs/dbraw/zinc/19/03/37/392190337.db2.gz FXRDSXVZLBUORY-AWEZNQCLSA-N 1 1 271.408 3.083 20 30 CGEDMO C[C@H]([NH2+]CCN(C)C1CCCC1)c1ccc(C#N)cc1 ZINC000071376676 392190342 /nfs/dbraw/zinc/19/03/42/392190342.db2.gz FXRDSXVZLBUORY-AWEZNQCLSA-N 1 1 271.408 3.083 20 30 CGEDMO C=CC[N@H+](Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000092261487 392230673 /nfs/dbraw/zinc/23/06/73/392230673.db2.gz XGYMMHJJPMNAKL-UHFFFAOYSA-N 1 1 252.317 3.339 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000092261487 392230675 /nfs/dbraw/zinc/23/06/75/392230675.db2.gz XGYMMHJJPMNAKL-UHFFFAOYSA-N 1 1 252.317 3.339 20 30 CGEDMO CO[C@H](C)C[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000285831530 392337454 /nfs/dbraw/zinc/33/74/54/392337454.db2.gz WABJUKJTFAPWSF-GFCCVEGCSA-N 1 1 285.309 3.024 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1nc(-c2ccc(F)cc2)no1 ZINC000248252180 131112788 /nfs/dbraw/zinc/11/27/88/131112788.db2.gz SQPLMRLQSRHWLK-UHFFFAOYSA-N 1 1 275.327 3.274 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1nc(-c2ccc(F)cc2)no1 ZINC000248252180 131112790 /nfs/dbraw/zinc/11/27/90/131112790.db2.gz SQPLMRLQSRHWLK-UHFFFAOYSA-N 1 1 275.327 3.274 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000263778300 131328789 /nfs/dbraw/zinc/32/87/89/131328789.db2.gz GJGCYQOEXOSUAR-AWEZNQCLSA-N 1 1 292.448 3.043 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](CC=C)Cc1ccc(OC)cc1 ZINC000123511430 392428581 /nfs/dbraw/zinc/42/85/81/392428581.db2.gz WEBHZERCEVAABZ-INIZCTEOSA-N 1 1 275.392 3.010 20 30 CGEDMO N#CCC[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000123932081 392432131 /nfs/dbraw/zinc/43/21/31/392432131.db2.gz AIDNLOBYIWJKJK-DLBZAZTESA-N 1 1 272.392 3.268 20 30 CGEDMO C#Cc1ccc(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)cc1 ZINC000289840514 392435153 /nfs/dbraw/zinc/43/51/53/392435153.db2.gz UUQPTPPXNUWKNE-UHFFFAOYSA-N 1 1 295.304 3.011 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000120850983 392405032 /nfs/dbraw/zinc/40/50/32/392405032.db2.gz LMNSNKCKGMZWDY-UHFFFAOYSA-N 1 1 298.430 3.099 20 30 CGEDMO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1cccc(Cl)c1 ZINC000121004618 392406886 /nfs/dbraw/zinc/40/68/86/392406886.db2.gz SOOIWWSJTBQIEJ-VXGBXAGGSA-N 1 1 261.756 3.434 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000164964595 392607099 /nfs/dbraw/zinc/60/70/99/392607099.db2.gz AELNSGCBGJBYLQ-XHSDSOJGSA-N 1 1 251.414 3.358 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)CCc1ccccn1 ZINC000173549040 392627040 /nfs/dbraw/zinc/62/70/40/392627040.db2.gz UDPSFXVXHSDIJM-UHFFFAOYSA-N 1 1 259.397 3.276 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cn2c(n1)CCCC2 ZINC000373002162 392655380 /nfs/dbraw/zinc/65/53/80/392655380.db2.gz ZPMJMTWCYWEIEB-AWEZNQCLSA-N 1 1 294.402 3.284 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cn2c(n1)CCCC2 ZINC000373002162 392655386 /nfs/dbraw/zinc/65/53/86/392655386.db2.gz ZPMJMTWCYWEIEB-AWEZNQCLSA-N 1 1 294.402 3.284 20 30 CGEDMO C[C@@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCCO1 ZINC000177108156 392659707 /nfs/dbraw/zinc/65/97/07/392659707.db2.gz KZMGRVMLEBFKHT-CYBMUJFWSA-N 1 1 297.320 3.168 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000181330772 392727892 /nfs/dbraw/zinc/72/78/92/392727892.db2.gz HKPWYFJXUJLOOX-GFCCVEGCSA-N 1 1 280.799 3.483 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000181330772 392727897 /nfs/dbraw/zinc/72/78/97/392727897.db2.gz HKPWYFJXUJLOOX-GFCCVEGCSA-N 1 1 280.799 3.483 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182848073 392750150 /nfs/dbraw/zinc/75/01/50/392750150.db2.gz QPYWYSVZAGBHMN-SNVBAGLBSA-N 1 1 293.720 3.291 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182848073 392750155 /nfs/dbraw/zinc/75/01/55/392750155.db2.gz QPYWYSVZAGBHMN-SNVBAGLBSA-N 1 1 293.720 3.291 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1F ZINC000192061396 392838131 /nfs/dbraw/zinc/83/81/31/392838131.db2.gz SJTFSSALHPQUII-GASCZTMLSA-N 1 1 258.340 3.319 20 30 CGEDMO CSC[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1C ZINC000186260651 392780478 /nfs/dbraw/zinc/78/04/78/392780478.db2.gz FKVQMIIKRNAVKG-OAHLLOKOSA-N 1 1 260.406 3.194 20 30 CGEDMO CC(C)[N@@H+](CC[C@H]1CCCO1)Cc1ccc(C#N)cc1 ZINC000188924663 392803501 /nfs/dbraw/zinc/80/35/01/392803501.db2.gz ZFUMLPWXFWOYRN-QGZVFWFLSA-N 1 1 272.392 3.338 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CCC1(F)F ZINC000335673570 392805747 /nfs/dbraw/zinc/80/57/47/392805747.db2.gz VRUDSJSGIFFASQ-GFCCVEGCSA-N 1 1 264.319 3.230 20 30 CGEDMO C=CCCC[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000338596339 392922977 /nfs/dbraw/zinc/92/29/77/392922977.db2.gz HBGWKHKBJYWMSL-UHFFFAOYSA-N 1 1 282.391 3.198 20 30 CGEDMO CC(C)(C)c1ccc2c(c1)C[N@H+](CCOCCC#N)CC2 ZINC000339081381 392945219 /nfs/dbraw/zinc/94/52/19/392945219.db2.gz OQSABRZFICZAOA-UHFFFAOYSA-N 1 1 286.419 3.272 20 30 CGEDMO C=CCOCC[N@H+]1[C@H](C)Cc2cc(OC)ccc2[C@H]1C ZINC000339080760 392945428 /nfs/dbraw/zinc/94/54/28/392945428.db2.gz NDXAXAJELONSNL-ZIAGYGMSSA-N 1 1 275.392 3.205 20 30 CGEDMO C=CCOCC[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000338998673 392938864 /nfs/dbraw/zinc/93/88/64/392938864.db2.gz BDUKRJRCKNESEV-UHFFFAOYSA-N 1 1 291.235 3.006 20 30 CGEDMO C[C@H]1CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@H]1C ZINC000459333460 392941833 /nfs/dbraw/zinc/94/18/33/392941833.db2.gz BTBDKNQMFVKXJZ-RYUDHWBXSA-N 1 1 273.336 3.087 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@H]1C ZINC000459333460 392941837 /nfs/dbraw/zinc/94/18/37/392941837.db2.gz BTBDKNQMFVKXJZ-RYUDHWBXSA-N 1 1 273.336 3.087 20 30 CGEDMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2CCOCCC#N)c1 ZINC000339084192 392947245 /nfs/dbraw/zinc/94/72/45/392947245.db2.gz NTWHIQYEXMWAPE-WMLDXEAASA-N 1 1 288.391 3.008 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cnc2ccc(C)cc2c1 ZINC000411624173 392982810 /nfs/dbraw/zinc/98/28/10/392982810.db2.gz JBSNBZCTXAMHRK-UHFFFAOYSA-N 1 1 270.376 3.178 20 30 CGEDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411670678 392983504 /nfs/dbraw/zinc/98/35/04/392983504.db2.gz LGMJVFMBSQIKLZ-HOTGVXAUSA-N 1 1 278.440 3.476 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)Cc1cc(-c2ccccc2)on1 ZINC000411643746 392983920 /nfs/dbraw/zinc/98/39/20/392983920.db2.gz PXLULVGWJGDINZ-UHFFFAOYSA-N 1 1 299.418 3.281 20 30 CGEDMO N#CC1(CC[N@H+]2CCC[C@H]2[C@@H]2CCCO2)CCCCC1 ZINC000411699642 392984414 /nfs/dbraw/zinc/98/44/14/392984414.db2.gz MWWHCYRQYLIFKN-HOTGVXAUSA-N 1 1 276.424 3.494 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000411740530 392986705 /nfs/dbraw/zinc/98/67/05/392986705.db2.gz CCIUJJFZDHKOLR-QRQLOZEOSA-N 1 1 297.446 3.133 20 30 CGEDMO C[C@H](CCC#N)[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000411740530 392986710 /nfs/dbraw/zinc/98/67/10/392986710.db2.gz CCIUJJFZDHKOLR-QRQLOZEOSA-N 1 1 297.446 3.133 20 30 CGEDMO C[C@H](CCC#N)[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000411740530 392986713 /nfs/dbraw/zinc/98/67/13/392986713.db2.gz CCIUJJFZDHKOLR-QRQLOZEOSA-N 1 1 297.446 3.133 20 30 CGEDMO C[C@H](CCC#N)[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000411740530 392986716 /nfs/dbraw/zinc/98/67/16/392986716.db2.gz CCIUJJFZDHKOLR-QRQLOZEOSA-N 1 1 297.446 3.133 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000411740530 392986721 /nfs/dbraw/zinc/98/67/21/392986721.db2.gz CCIUJJFZDHKOLR-QRQLOZEOSA-N 1 1 297.446 3.133 20 30 CGEDMO C[C@H](CCC#N)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000411800938 392989030 /nfs/dbraw/zinc/98/90/30/392989030.db2.gz ZQLUJJAQIAGRKK-DLBZAZTESA-N 1 1 285.435 3.133 20 30 CGEDMO C[C@H](CCC#N)[N@@H+]1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000411800938 392989032 /nfs/dbraw/zinc/98/90/32/392989032.db2.gz ZQLUJJAQIAGRKK-DLBZAZTESA-N 1 1 285.435 3.133 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000411800938 392989035 /nfs/dbraw/zinc/98/90/35/392989035.db2.gz ZQLUJJAQIAGRKK-DLBZAZTESA-N 1 1 285.435 3.133 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000411978119 392992819 /nfs/dbraw/zinc/99/28/19/392992819.db2.gz GUPDITVTUDYCLM-QGZVFWFLSA-N 1 1 271.360 3.063 20 30 CGEDMO N#C[C@H]1CC[C@H]([N@H+]2CCC[C@H](Oc3ccccc3)C2)C1 ZINC000411986467 392993278 /nfs/dbraw/zinc/99/32/78/392993278.db2.gz PJQXOBFQGCZPJT-ZOBUZTSGSA-N 1 1 270.376 3.222 20 30 CGEDMO COC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000221120280 393006185 /nfs/dbraw/zinc/00/61/85/393006185.db2.gz NOMUZHBDZCPEDE-CYBMUJFWSA-N 1 1 278.783 3.070 20 30 CGEDMO N#CC1(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)CC1 ZINC000343143810 393020005 /nfs/dbraw/zinc/02/00/05/393020005.db2.gz XHFQABISBJHTBB-HNNXBMFYSA-N 1 1 258.340 3.136 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCS[C@H]3CCCC[C@H]32)s1 ZINC000245813378 393047253 /nfs/dbraw/zinc/04/72/53/393047253.db2.gz ZTISSZOEDKHDCO-KGLIPLIRSA-N 1 1 278.446 3.480 20 30 CGEDMO CCC(CC)CN(CCC#N)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000345326818 393053372 /nfs/dbraw/zinc/05/33/72/393053372.db2.gz VYOBJGVHYLOVFL-GASCZTMLSA-N 1 1 293.455 3.038 20 30 CGEDMO Cc1[nH+]ccn1CCCNc1ccc(C#N)c(Cl)c1 ZINC000266244116 393179366 /nfs/dbraw/zinc/17/93/66/393179366.db2.gz LWUWMVMRTPCNFW-UHFFFAOYSA-N 1 1 274.755 3.219 20 30 CGEDMO C[N@@H+](CC1(C#N)CC1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000348818848 393132177 /nfs/dbraw/zinc/13/21/77/393132177.db2.gz IHWJESUAAAASDS-JKSUJKDBSA-N 1 1 288.366 3.281 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1 ZINC000350223382 393158113 /nfs/dbraw/zinc/15/81/13/393158113.db2.gz RXFATJGAGHZILR-DAYGRLMNSA-N 1 1 283.419 3.400 20 30 CGEDMO C[C@@H]1C[N@H+](CC#Cc2ccccc2)CC2(CCCC2)O1 ZINC000646135524 393224195 /nfs/dbraw/zinc/22/41/95/393224195.db2.gz QHTKFIFVAINUEJ-MRXNPFEDSA-N 1 1 269.388 3.072 20 30 CGEDMO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)CC2(CCCC2)O1 ZINC000646135524 393224204 /nfs/dbraw/zinc/22/42/04/393224204.db2.gz QHTKFIFVAINUEJ-MRXNPFEDSA-N 1 1 269.388 3.072 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000355203003 393256169 /nfs/dbraw/zinc/25/61/69/393256169.db2.gz DCTJKYFEKGHPEB-GJZGRUSLSA-N 1 1 264.413 3.065 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000649362297 393404661 /nfs/dbraw/zinc/40/46/61/393404661.db2.gz HKUICXDDXFCTET-MAUKXSAKSA-N 1 1 284.403 3.284 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000649362298 393404961 /nfs/dbraw/zinc/40/49/61/393404961.db2.gz HKUICXDDXFCTET-QAPCUYQASA-N 1 1 284.403 3.284 20 30 CGEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)c2ccc(Cl)cc2)C1=O ZINC000281895521 393365581 /nfs/dbraw/zinc/36/55/81/393365581.db2.gz FCJWBULKYVWFEN-SWLSCSKDSA-N 1 1 292.810 3.120 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000649407714 393414614 /nfs/dbraw/zinc/41/46/14/393414614.db2.gz JIMNHSSWUNOMAH-CVEARBPZSA-N 1 1 251.414 3.481 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@H]2CC[C@H](C)C2)cc1C#N ZINC000429567239 393482488 /nfs/dbraw/zinc/48/24/88/393482488.db2.gz LKBBXWZJZRYMAR-WFASDCNBSA-N 1 1 258.365 3.187 20 30 CGEDMO Cc1cc(C[N@H+](C)[C@@H](C)c2ccncc2)ccc1C#N ZINC000488136423 393462724 /nfs/dbraw/zinc/46/27/24/393462724.db2.gz GZNQVYQLHHJMOE-AWEZNQCLSA-N 1 1 265.360 3.455 20 30 CGEDMO Cc1cccc2c1C[N@@H+](CCOc1ccc(C#N)cc1)CC2 ZINC000429560559 393478786 /nfs/dbraw/zinc/47/87/86/393478786.db2.gz OCTMFBCRLPTIJC-UHFFFAOYSA-N 1 1 292.382 3.304 20 30 CGEDMO C=C(C)CN(CC)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000666668382 542805998 /nfs/dbraw/zinc/80/59/98/542805998.db2.gz ZZMOKFRJCCPVPH-HNNXBMFYSA-N 1 1 293.455 3.001 20 30 CGEDMO C[N@@H+](CCCOc1cccc(C#N)c1)[C@H]1CC1(C)C ZINC000489394610 393593840 /nfs/dbraw/zinc/59/38/40/393593840.db2.gz BXDLZXAJZCCIRJ-HNNXBMFYSA-N 1 1 258.365 3.057 20 30 CGEDMO C[N@@H+](Cc1cn2ccccc2c1C#N)[C@@H]1CC1(C)C ZINC000489454753 393598665 /nfs/dbraw/zinc/59/86/65/393598665.db2.gz LRABDZWOTCYIDQ-OAHLLOKOSA-N 1 1 253.349 3.041 20 30 CGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000443650370 393769815 /nfs/dbraw/zinc/76/98/15/393769815.db2.gz IVYFFQGBFYNQCW-ILXRZTDVSA-N 1 1 299.418 3.253 20 30 CGEDMO N#Cc1csc(C[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)c1 ZINC000449541748 393891358 /nfs/dbraw/zinc/89/13/58/393891358.db2.gz OUJLTHORWXWQSM-HUUCEWRRSA-N 1 1 258.390 3.240 20 30 CGEDMO COc1ccc(C[N@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)cc1C#N ZINC000449545658 393893397 /nfs/dbraw/zinc/89/33/97/393893397.db2.gz ZEYQWWLXCISBGL-AEFFLSMTSA-N 1 1 282.387 3.187 20 30 CGEDMO C=CCCCCC[N@H+](C)CN1C[C@H](CCC)CC1=O ZINC000743371604 572654622 /nfs/dbraw/zinc/65/46/22/572654622.db2.gz WWYWITLECXRGHU-OAHLLOKOSA-N 1 1 266.429 3.271 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2ccnn2CC2CC2)C1 ZINC000668494150 543019838 /nfs/dbraw/zinc/01/98/38/543019838.db2.gz WOORLXZEUJMKAZ-CQSZACIVSA-N 1 1 259.397 3.081 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000668492728 543021048 /nfs/dbraw/zinc/02/10/48/543021048.db2.gz FGSXRLVIJUEGOG-CYBMUJFWSA-N 1 1 271.364 3.458 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cc(OC)c(O)c(OC)c2)C1 ZINC000668493466 543020275 /nfs/dbraw/zinc/02/02/75/543020275.db2.gz NYBQAMZDIJNGOS-ZDUSSCGKSA-N 1 1 291.391 3.198 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2cnnn2Cc2ccccc2)C1 ZINC000668494377 543020703 /nfs/dbraw/zinc/02/07/03/543020703.db2.gz YJZZVZWJGYIFEP-INIZCTEOSA-N 1 1 296.418 3.115 20 30 CGEDMO CCC[N@@H+](CCCSCC#N)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000342157601 397684231 /nfs/dbraw/zinc/68/42/31/397684231.db2.gz RZOZOQKYTNCVHY-KFWWJZLASA-N 1 1 296.480 3.159 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000735490906 572726319 /nfs/dbraw/zinc/72/63/19/572726319.db2.gz UZFLJHBSLDNMBE-CQSZACIVSA-N 1 1 282.428 3.332 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+](CC)Cc1ccccc1Cl ZINC000677950860 543474204 /nfs/dbraw/zinc/47/42/04/543474204.db2.gz AHANAMTYVOXZRX-AWEZNQCLSA-N 1 1 253.773 3.099 20 30 CGEDMO CCC#C[C@H](C)[N@H+](C)Cc1cc(Br)cn1C ZINC000678220195 543494973 /nfs/dbraw/zinc/49/49/73/543494973.db2.gz RPHKZDIJQJDGAN-NSHDSACASA-N 1 1 283.213 3.021 20 30 CGEDMO CCC#C[C@H](C)[N@@H+](C)Cc1cc(Br)cn1C ZINC000678220195 543494975 /nfs/dbraw/zinc/49/49/75/543494975.db2.gz RPHKZDIJQJDGAN-NSHDSACASA-N 1 1 283.213 3.021 20 30 CGEDMO C=C(C)[C@@H](CO)[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000678796721 543559592 /nfs/dbraw/zinc/55/95/92/543559592.db2.gz INKFYBDDCHTEKB-BXKDBHETSA-N 1 1 257.736 3.067 20 30 CGEDMO COc1cc(C#N)ccc1OCC[N@H+]1C[C@@H](C)CC[C@H]1C ZINC000076149693 165112800 /nfs/dbraw/zinc/11/28/00/165112800.db2.gz CFHJZSYZWCXLOD-UONOGXRCSA-N 1 1 288.391 3.066 20 30 CGEDMO COc1ccc(C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1C#N ZINC000087833116 165189045 /nfs/dbraw/zinc/18/90/45/165189045.db2.gz GKTRISADUXKJLK-BETUJISGSA-N 1 1 258.365 3.330 20 30 CGEDMO C[C@H]([NH2+]Cc1ccncc1Cl)c1ccc(C#N)cc1 ZINC000088781199 165196346 /nfs/dbraw/zinc/19/63/46/165196346.db2.gz JWQUQOLUHSPNDE-NSHDSACASA-N 1 1 271.751 3.457 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000091703321 165270118 /nfs/dbraw/zinc/27/01/18/165270118.db2.gz IGBCWJFXKIVJQT-ZDUSSCGKSA-N 1 1 281.359 3.155 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000091703321 165270121 /nfs/dbraw/zinc/27/01/21/165270121.db2.gz IGBCWJFXKIVJQT-ZDUSSCGKSA-N 1 1 281.359 3.155 20 30 CGEDMO C[C@@H](c1ccncc1)[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000091989007 165278514 /nfs/dbraw/zinc/27/85/14/165278514.db2.gz DONIZHNJHYWOLZ-HNNXBMFYSA-N 1 1 295.386 3.415 20 30 CGEDMO CN(Cc1cccc(C#N)c1)c1cc[nH+]cc1Cl ZINC000094266954 165344814 /nfs/dbraw/zinc/34/48/14/165344814.db2.gz GFDKPHLHJGRZQZ-UHFFFAOYSA-N 1 1 257.724 3.243 20 30 CGEDMO CC[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccccc1 ZINC000007444982 170285450 /nfs/dbraw/zinc/28/54/50/170285450.db2.gz XQFKIOYBAGJNMB-UHFFFAOYSA-N 1 1 293.370 3.019 20 30 CGEDMO CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1ccccc1 ZINC000007444982 170285451 /nfs/dbraw/zinc/28/54/51/170285451.db2.gz XQFKIOYBAGJNMB-UHFFFAOYSA-N 1 1 293.370 3.019 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccsc1 ZINC000035206424 172051415 /nfs/dbraw/zinc/05/14/15/172051415.db2.gz PVIFTWPSQYLHHV-UHFFFAOYSA-N 1 1 299.399 3.080 20 30 CGEDMO CSCC[C@@H](C)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000126421104 287264559 /nfs/dbraw/zinc/26/45/59/287264559.db2.gz BFTYGQQBLJYBRR-CYBMUJFWSA-N 1 1 278.421 3.010 20 30 CGEDMO C[N@H+]1CCC[C@@H](CNc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000044539065 175200996 /nfs/dbraw/zinc/20/09/96/175200996.db2.gz DTLFTUDSYHQPGQ-NSHDSACASA-N 1 1 297.324 3.331 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1cccc(Cl)c1 ZINC000048617391 416456222 /nfs/dbraw/zinc/45/62/22/416456222.db2.gz JMJJAXZNECVMIN-UHFFFAOYSA-N 1 1 266.772 3.177 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1cccc(Cl)c1 ZINC000048617391 416456225 /nfs/dbraw/zinc/45/62/25/416456225.db2.gz JMJJAXZNECVMIN-UHFFFAOYSA-N 1 1 266.772 3.177 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)cc1 ZINC000679357744 543627150 /nfs/dbraw/zinc/62/71/50/543627150.db2.gz FISXUXHXIKEIRS-CJNGLKHVSA-N 1 1 263.356 3.431 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1nn(C)c2ccccc12 ZINC000679364607 543629815 /nfs/dbraw/zinc/62/98/15/543629815.db2.gz HQPPOVBHCMRYMI-UHFFFAOYSA-N 1 1 295.386 3.397 20 30 CGEDMO C=CCCC[N@@H+](Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000679676509 543655817 /nfs/dbraw/zinc/65/58/17/543655817.db2.gz YWONUFOGPJSWEU-AWEZNQCLSA-N 1 1 287.325 3.378 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(Br)cc1OC ZINC000679773407 543660833 /nfs/dbraw/zinc/66/08/33/543660833.db2.gz SPXFOSIKWIXWLF-UHFFFAOYSA-N 1 1 284.197 3.466 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(OC)c(O[C@H](C)CC)c1 ZINC000681758215 543807132 /nfs/dbraw/zinc/80/71/32/543807132.db2.gz MFCNGYPDJHBWMU-CYBMUJFWSA-N 1 1 263.381 3.490 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)CC1=Cc2ccccc2OC1 ZINC000131184064 287372641 /nfs/dbraw/zinc/37/26/41/287372641.db2.gz YUYPVHBZMFSNEN-UHFFFAOYSA-N 1 1 290.366 3.466 20 30 CGEDMO N#CCCCC[N@@H+](Cc1cccs1)[C@@H]1C=C[C@@H](CO)C1 ZINC000347347026 226121778 /nfs/dbraw/zinc/12/17/78/226121778.db2.gz QWBAMGLJEWDIAH-HUUCEWRRSA-N 1 1 290.432 3.181 20 30 CGEDMO C=CCCc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000655054932 419017852 /nfs/dbraw/zinc/01/78/52/419017852.db2.gz NTDPOQOFYBHHPG-CQSZACIVSA-N 1 1 272.392 3.086 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CCC[C@@H]2c2ccccc2)nn1 ZINC000653476386 419033496 /nfs/dbraw/zinc/03/34/96/419033496.db2.gz DSSUTTPBLYHELA-QGZVFWFLSA-N 1 1 282.391 3.191 20 30 CGEDMO C=CCCn1cc(C[N@H+]2CCC[C@@H]2c2ccccc2)nn1 ZINC000653476386 419033499 /nfs/dbraw/zinc/03/34/99/419033499.db2.gz DSSUTTPBLYHELA-QGZVFWFLSA-N 1 1 282.391 3.191 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CCC[C@H]2c2ccccc2)nn1 ZINC000653476385 419033742 /nfs/dbraw/zinc/03/37/42/419033742.db2.gz DSSUTTPBLYHELA-KRWDZBQOSA-N 1 1 282.391 3.191 20 30 CGEDMO C=CCCn1cc(C[N@H+]2CCC[C@H]2c2ccccc2)nn1 ZINC000653476385 419033745 /nfs/dbraw/zinc/03/37/45/419033745.db2.gz DSSUTTPBLYHELA-KRWDZBQOSA-N 1 1 282.391 3.191 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@H](c2ccccc2)C(C)C)nn1 ZINC000653486138 419036476 /nfs/dbraw/zinc/03/64/76/419036476.db2.gz NETLRFXMYJYTIT-KRWDZBQOSA-N 1 1 284.407 3.341 20 30 CGEDMO C=CCCn1cc(C[N@@H+](CC2CC2)C2CCCCC2)nn1 ZINC000653539766 419044567 /nfs/dbraw/zinc/04/45/67/419044567.db2.gz KXQRNLIKUJCURS-UHFFFAOYSA-N 1 1 288.439 3.399 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CCC[C@@H](C(C)C)CC2)nn1 ZINC000653556978 419048752 /nfs/dbraw/zinc/04/87/52/419048752.db2.gz UUWOXMSWNLKLBI-OAHLLOKOSA-N 1 1 276.428 3.112 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CCC[C@@H](C(C)(C)C)C2)nn1 ZINC000653654589 419066458 /nfs/dbraw/zinc/06/64/58/419066458.db2.gz YHCUVVSOBIZKGZ-CQSZACIVSA-N 1 1 276.428 3.112 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000660535966 419158598 /nfs/dbraw/zinc/15/85/98/419158598.db2.gz DETFCFVXGGWGRS-QDMKHBRRSA-N 1 1 275.392 3.196 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(SC)c1)[C@H](C)COC ZINC000661241073 419244176 /nfs/dbraw/zinc/24/41/76/419244176.db2.gz WOMPGLPFEAGOTL-CYBMUJFWSA-N 1 1 265.422 3.431 20 30 CGEDMO C=CC[N@@H+](Cc1cc(F)cc2cccnc21)[C@H](C)COC ZINC000661243415 419244279 /nfs/dbraw/zinc/24/42/79/419244279.db2.gz KUJUAZMMNUSNKP-CYBMUJFWSA-N 1 1 288.366 3.397 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2csc(COC)n2)C1 ZINC000661379786 419255343 /nfs/dbraw/zinc/25/53/43/419255343.db2.gz IIGUUWKGFMZZHW-LBPRGKRZSA-N 1 1 266.410 3.078 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2csc(COC)n2)C1 ZINC000661379786 419255346 /nfs/dbraw/zinc/25/53/46/419255346.db2.gz IIGUUWKGFMZZHW-LBPRGKRZSA-N 1 1 266.410 3.078 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2)C1 ZINC000661378752 419255922 /nfs/dbraw/zinc/25/59/22/419255922.db2.gz LQMYAMSZMZIUMB-OAHLLOKOSA-N 1 1 272.392 3.303 20 30 CGEDMO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1noc(C2CC2)n1 ZINC000661115557 419232116 /nfs/dbraw/zinc/23/21/16/419232116.db2.gz DIBKVJKOBOTZPX-YPMHNXCESA-N 1 1 261.369 3.172 20 30 CGEDMO CC#CCC[N@@H+]1CC[C@@](C)(c2cccc(OC)c2)C1 ZINC000661712401 419290146 /nfs/dbraw/zinc/29/01/46/419290146.db2.gz QSQHAOORUMLEMQ-QGZVFWFLSA-N 1 1 257.377 3.072 20 30 CGEDMO C[C@H]1COC2(CCCC2)C[N@@H+]1CC#Cc1ccccc1 ZINC000661982002 419318960 /nfs/dbraw/zinc/31/89/60/419318960.db2.gz VDSOMZBRNIRNQL-INIZCTEOSA-N 1 1 269.388 3.072 20 30 CGEDMO C[C@H]1COC2(CCCC2)C[N@H+]1CC#Cc1ccccc1 ZINC000661982002 419318962 /nfs/dbraw/zinc/31/89/62/419318962.db2.gz VDSOMZBRNIRNQL-INIZCTEOSA-N 1 1 269.388 3.072 20 30 CGEDMO C=CCCCN(C)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000661858889 419305807 /nfs/dbraw/zinc/30/58/07/419305807.db2.gz MQWOHHKAVSBZPA-HNNXBMFYSA-N 1 1 293.455 3.001 20 30 CGEDMO CO[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356051622 228101258 /nfs/dbraw/zinc/10/12/58/228101258.db2.gz GKYSOTVMTJPEMZ-CYBMUJFWSA-N 1 1 298.308 3.188 20 30 CGEDMO CO[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356051622 228101260 /nfs/dbraw/zinc/10/12/60/228101260.db2.gz GKYSOTVMTJPEMZ-CYBMUJFWSA-N 1 1 298.308 3.188 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1ccccc1F ZINC000662078675 419333892 /nfs/dbraw/zinc/33/38/92/419333892.db2.gz FSLCTALGVXJFPA-OKILXGFUSA-N 1 1 288.366 3.337 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCc2ccccc2NC1=O ZINC000662090211 419334482 /nfs/dbraw/zinc/33/44/82/419334482.db2.gz LWDGIYZOEQOKST-HLLBOEOZSA-N 1 1 282.387 3.123 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCc1cc(CC)no1 ZINC000662090943 419334979 /nfs/dbraw/zinc/33/49/79/419334979.db2.gz UNMKSBHFDNGRSM-GASCZTMLSA-N 1 1 260.381 3.353 20 30 CGEDMO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000657835871 419379639 /nfs/dbraw/zinc/37/96/39/419379639.db2.gz RNEYCSXAYSTWSD-UXLLHSPISA-N 1 1 262.441 3.195 20 30 CGEDMO C[N@H+](CC#Cc1ccccc1Cl)CC1=CCSC1 ZINC000662267966 419380609 /nfs/dbraw/zinc/38/06/09/419380609.db2.gz KPUBYCDDYGNCDB-UHFFFAOYSA-N 1 1 277.820 3.297 20 30 CGEDMO C[N@@H+](CC#Cc1ccccc1Cl)CC1=CCSC1 ZINC000662267966 419380613 /nfs/dbraw/zinc/38/06/13/419380613.db2.gz KPUBYCDDYGNCDB-UHFFFAOYSA-N 1 1 277.820 3.297 20 30 CGEDMO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)Cc1cc(C)[nH]n1 ZINC000657929618 419445828 /nfs/dbraw/zinc/44/58/28/419445828.db2.gz SQEACHNBXKZOSN-JGGQBBKZSA-N 1 1 261.413 3.374 20 30 CGEDMO CC(C)[C@H]1CCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000088836946 260016841 /nfs/dbraw/zinc/01/68/41/260016841.db2.gz MMMLHIPNZHDEBY-QGZVFWFLSA-N 1 1 272.392 3.448 20 30 CGEDMO C#CC[N@@H+](Cc1ccnn1CC)[C@@H]1CCc2ccccc21 ZINC000179487974 260051419 /nfs/dbraw/zinc/05/14/19/260051419.db2.gz VOKNFCWHQIAKLD-GOSISDBHSA-N 1 1 279.387 3.026 20 30 CGEDMO C#CC[N@H+](Cc1ccnn1CC)[C@@H]1CCc2ccccc21 ZINC000179487974 260051420 /nfs/dbraw/zinc/05/14/20/260051420.db2.gz VOKNFCWHQIAKLD-GOSISDBHSA-N 1 1 279.387 3.026 20 30 CGEDMO C=CC[N@@H+](C)Cc1c(C)nc2scc(C3CC3)n12 ZINC000297568495 260129297 /nfs/dbraw/zinc/12/92/97/260129297.db2.gz HQWXVOXGCKUQCO-UHFFFAOYSA-N 1 1 261.394 3.199 20 30 CGEDMO C=CC[N@H+](C)Cc1c(C)nc2scc(C3CC3)n12 ZINC000297568495 260129299 /nfs/dbraw/zinc/12/92/99/260129299.db2.gz HQWXVOXGCKUQCO-UHFFFAOYSA-N 1 1 261.394 3.199 20 30 CGEDMO N#CCCCOc1cccc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000245904917 260824757 /nfs/dbraw/zinc/82/47/57/260824757.db2.gz AVAUPOIYTDFXOT-IRXDYDNUSA-N 1 1 299.418 3.408 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCOC2(CCC2)C1 ZINC000154368234 261091096 /nfs/dbraw/zinc/09/10/96/261091096.db2.gz KOEWYBFZRNVMJF-UHFFFAOYSA-N 1 1 284.403 3.243 20 30 CGEDMO C=CC[N@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000154783913 261094737 /nfs/dbraw/zinc/09/47/37/261094737.db2.gz WFXDYFWFFXJRSS-UHFFFAOYSA-N 1 1 280.375 3.082 20 30 CGEDMO CC#CCC[NH2+]Cc1csc(COc2ccccc2)n1 ZINC000360968171 261139295 /nfs/dbraw/zinc/13/92/95/261139295.db2.gz HIQNOFUBPVJAAC-UHFFFAOYSA-N 1 1 286.400 3.225 20 30 CGEDMO CCCN1CCC([N@H+](C)CCCC(C)(C)C#N)CC1 ZINC000174855362 261200197 /nfs/dbraw/zinc/20/01/97/261200197.db2.gz AEJUCLSNTZTVDA-UHFFFAOYSA-N 1 1 265.445 3.123 20 30 CGEDMO CCCN1CCC([N@@H+](C)CCCC(C)(C)C#N)CC1 ZINC000174855362 261200198 /nfs/dbraw/zinc/20/01/98/261200198.db2.gz AEJUCLSNTZTVDA-UHFFFAOYSA-N 1 1 265.445 3.123 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+](CC)CC2CC2)c1C ZINC000362271230 261460516 /nfs/dbraw/zinc/46/05/16/261460516.db2.gz UCVLXPQRSRNVAE-UHFFFAOYSA-N 1 1 274.408 3.206 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1c[nH]nc1-c1cccc(C)c1 ZINC000184086305 262007991 /nfs/dbraw/zinc/00/79/91/262007991.db2.gz MYWUCQQTDMXUBT-OAHLLOKOSA-N 1 1 268.364 3.167 20 30 CGEDMO CCN(CC)C(=O)OC[C@@H]1CCCC[N@H+]1CCCCC#N ZINC000497230543 262118032 /nfs/dbraw/zinc/11/80/32/262118032.db2.gz XPTLJQYQPSHOHK-HNNXBMFYSA-N 1 1 295.427 3.013 20 30 CGEDMO CCOc1cc(C[NH2+][C@H](CC)CC#N)ccc1OC(F)F ZINC000054182171 262260130 /nfs/dbraw/zinc/26/01/30/262260130.db2.gz BHVWDHGKFWPPBD-GFCCVEGCSA-N 1 1 298.333 3.469 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000494956887 262273410 /nfs/dbraw/zinc/27/34/10/262273410.db2.gz URTZWKQIYQCVIU-KGLIPLIRSA-N 1 1 282.428 3.188 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000365177209 262282685 /nfs/dbraw/zinc/28/26/85/262282685.db2.gz KZECSUKEAGHTHB-CRAIPNDOSA-N 1 1 295.386 3.276 20 30 CGEDMO C[C@H]1CCCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459404710 269889844 /nfs/dbraw/zinc/88/98/44/269889844.db2.gz JDXVXOUOLKDXFH-LBPRGKRZSA-N 1 1 273.336 3.088 20 30 CGEDMO N#CC1(CC[N@@H+](C[C@H]2CCOC2)C2CC2)CCCCC1 ZINC000411171220 262682206 /nfs/dbraw/zinc/68/22/06/262682206.db2.gz ZBBNEPISHWNCBI-OAHLLOKOSA-N 1 1 276.424 3.351 20 30 CGEDMO CC(C)(C#N)CC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000272009628 263001265 /nfs/dbraw/zinc/00/12/65/263001265.db2.gz KAUZKNJPIXIYEM-UHFFFAOYSA-N 1 1 267.376 3.463 20 30 CGEDMO CC(C)[C@@H](CO)[N@@H+](CCC(C)(C)C#N)Cc1ccccc1 ZINC000272069725 263002044 /nfs/dbraw/zinc/00/20/44/263002044.db2.gz YRXGWYMPCALULS-QGZVFWFLSA-N 1 1 288.435 3.445 20 30 CGEDMO CC1(C#N)CC[NH+](Cc2ccccc2OC(F)F)CC1 ZINC000272545101 263006343 /nfs/dbraw/zinc/00/63/43/263006343.db2.gz KBRUQWLTMDZJQQ-UHFFFAOYSA-N 1 1 280.318 3.414 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCC[C@]3(CCSC3)C2)cc1 ZINC000451982734 263019045 /nfs/dbraw/zinc/01/90/45/263019045.db2.gz UBZVHKQWPQRJIA-KRWDZBQOSA-N 1 1 289.419 3.396 20 30 CGEDMO COc1ccc(C[C@H](C)C[N@@H+](C)C[C@H](C)C#N)cc1F ZINC000274707703 263029435 /nfs/dbraw/zinc/02/94/35/263029435.db2.gz ZOPLQNRKLSQPFR-QWHCGFSZSA-N 1 1 278.371 3.104 20 30 CGEDMO Cc1ccc(-c2cnc(CO[NH+]=C(N)C(C)C)o2)cc1 ZINC000274707557 263029519 /nfs/dbraw/zinc/02/95/19/263029519.db2.gz BFGKUFDYQRONRI-UHFFFAOYSA-N 1 1 273.336 3.095 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(OC)c(OCCCC#N)c1 ZINC000276116029 263034995 /nfs/dbraw/zinc/03/49/95/263034995.db2.gz ISBYDXOILOEPLK-UHFFFAOYSA-N 1 1 288.391 3.386 20 30 CGEDMO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2c(F)cc(F)c(F)c2F)C1 ZINC000281267006 263067834 /nfs/dbraw/zinc/06/78/34/263067834.db2.gz YIXWBILVAZQKLK-RKDXNWHRSA-N 1 1 286.272 3.415 20 30 CGEDMO C=CC[N@@H+](CCc1cscn1)Cc1ccccc1 ZINC000340276437 263103958 /nfs/dbraw/zinc/10/39/58/263103958.db2.gz FZZDYGRTEOXVRG-UHFFFAOYSA-N 1 1 258.390 3.374 20 30 CGEDMO CN(C)c1ccccc1C[N@@H+](C)CCC(C)(C)C#N ZINC000288565270 263104879 /nfs/dbraw/zinc/10/48/79/263104879.db2.gz AVTMYSAWDFVGOQ-UHFFFAOYSA-N 1 1 259.397 3.124 20 30 CGEDMO C=CC[N@@H+](CCC#N)C[C@@H](C)c1ccc(OC)cc1 ZINC000292720320 263134273 /nfs/dbraw/zinc/13/42/73/263134273.db2.gz FFFOQHWMOWFJKX-CQSZACIVSA-N 1 1 258.365 3.200 20 30 CGEDMO C=CC[N@H+](CCC#N)C[C@@H](C)c1ccc(OC)cc1 ZINC000292720320 263134274 /nfs/dbraw/zinc/13/42/74/263134274.db2.gz FFFOQHWMOWFJKX-CQSZACIVSA-N 1 1 258.365 3.200 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)C1 ZINC000293209813 263138726 /nfs/dbraw/zinc/13/87/26/263138726.db2.gz UWJLFMZOBRABEL-BFYDXBDKSA-N 1 1 272.367 3.382 20 30 CGEDMO CC1=C(Br)C[N@@H+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000293974676 263153600 /nfs/dbraw/zinc/15/36/00/263153600.db2.gz DGUGGDUPGLHCQG-QWRGUYRKSA-N 1 1 269.186 3.053 20 30 CGEDMO CC1=C(Br)C[N@H+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000293974676 263153602 /nfs/dbraw/zinc/15/36/02/263153602.db2.gz DGUGGDUPGLHCQG-QWRGUYRKSA-N 1 1 269.186 3.053 20 30 CGEDMO CC1=C(Br)C[N@@H+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000293974679 263153605 /nfs/dbraw/zinc/15/36/05/263153605.db2.gz DGUGGDUPGLHCQG-WDEREUQCSA-N 1 1 269.186 3.053 20 30 CGEDMO CC1=C(Br)C[N@H+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000293974679 263153606 /nfs/dbraw/zinc/15/36/06/263153606.db2.gz DGUGGDUPGLHCQG-WDEREUQCSA-N 1 1 269.186 3.053 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1c(C)nc2scc(C3CC3)n12 ZINC000297725425 263208746 /nfs/dbraw/zinc/20/87/46/263208746.db2.gz SDLAMBCSXLZPDP-GFCCVEGCSA-N 1 1 288.420 3.364 20 30 CGEDMO COc1cc2c(cc1Cl)C[N@@H+]([C@@H](C)CCC#N)CC2 ZINC000298087451 263215337 /nfs/dbraw/zinc/21/53/37/263215337.db2.gz HYYIKLGTXSGDIZ-NSHDSACASA-N 1 1 278.783 3.399 20 30 CGEDMO COc1cc2c(cc1Cl)C[N@H+]([C@@H](C)CCC#N)CC2 ZINC000298087451 263215339 /nfs/dbraw/zinc/21/53/39/263215339.db2.gz HYYIKLGTXSGDIZ-NSHDSACASA-N 1 1 278.783 3.399 20 30 CGEDMO C[C@@H](CCC#N)[N@@H+](C)CCCOCc1ccccc1 ZINC000298511280 263220805 /nfs/dbraw/zinc/22/08/05/263220805.db2.gz KRQYISSYDGPYAR-HNNXBMFYSA-N 1 1 260.381 3.217 20 30 CGEDMO C=CCC(C)(C)c1noc(C[NH+]2[C@H](C)CC[C@H]2C)n1 ZINC000340829506 263308247 /nfs/dbraw/zinc/30/82/47/263308247.db2.gz YNPDAYPTZOBDKY-VXGBXAGGSA-N 1 1 263.385 3.296 20 30 CGEDMO C=CC[C@H](CC)NC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000341432041 263337773 /nfs/dbraw/zinc/33/77/73/263337773.db2.gz CVJXKDRLLXIKHF-CVEARBPZSA-N 1 1 295.471 3.008 20 30 CGEDMO C=CC[C@@H](CC)NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000341646607 263345828 /nfs/dbraw/zinc/34/58/28/263345828.db2.gz HSLPJRRPFDFWGF-HUUCEWRRSA-N 1 1 294.826 3.414 20 30 CGEDMO Clc1ccccc1C#CC[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000341990363 263382292 /nfs/dbraw/zinc/38/22/92/263382292.db2.gz MPPREMXKMAPMHL-KRWDZBQOSA-N 1 1 289.806 3.194 20 30 CGEDMO COc1cccc([C@H]2CCC[N@@H+]2CC2(C#N)CC2)c1 ZINC000343252067 264069165 /nfs/dbraw/zinc/06/91/65/264069165.db2.gz RDWUNDLREBRTHB-OAHLLOKOSA-N 1 1 256.349 3.136 20 30 CGEDMO COc1cccc([C@H]2CCC[N@H+]2CC2(C#N)CC2)c1 ZINC000343252067 264069167 /nfs/dbraw/zinc/06/91/67/264069167.db2.gz RDWUNDLREBRTHB-OAHLLOKOSA-N 1 1 256.349 3.136 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cc(=O)oc2cc(C)ccc12 ZINC000076737485 264342850 /nfs/dbraw/zinc/34/28/50/264342850.db2.gz BVDBVWMJUDVBKF-UHFFFAOYSA-N 1 1 271.360 3.499 20 30 CGEDMO C=CCC[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000132579130 264393373 /nfs/dbraw/zinc/39/33/73/264393373.db2.gz KZGBJBZRLPZLMQ-AWEZNQCLSA-N 1 1 251.757 3.289 20 30 CGEDMO C=CC[N@H+](CCOc1ccccc1OCC)C1CC1 ZINC000357552463 266322141 /nfs/dbraw/zinc/32/21/41/266322141.db2.gz MNGBKUKYNJBFNL-UHFFFAOYSA-N 1 1 261.365 3.115 20 30 CGEDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000399758855 266427118 /nfs/dbraw/zinc/42/71/18/266427118.db2.gz NTDJAWMHVCLNHW-DOMZBBRYSA-N 1 1 258.365 3.187 20 30 CGEDMO C=CCCCCCCNC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000367865881 267123157 /nfs/dbraw/zinc/12/31/57/267123157.db2.gz QTOMUVCGMKWRCU-CVEARBPZSA-N 1 1 293.455 3.049 20 30 CGEDMO C=CCCCCCCNC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000367865882 267123216 /nfs/dbraw/zinc/12/32/16/267123216.db2.gz QTOMUVCGMKWRCU-HOTGVXAUSA-N 1 1 293.455 3.049 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000368497955 267177562 /nfs/dbraw/zinc/17/75/62/267177562.db2.gz CRKHNJIYZYGAEC-MRXNPFEDSA-N 1 1 264.413 3.209 20 30 CGEDMO COC[C@H]1CCCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000368678902 267197665 /nfs/dbraw/zinc/19/76/65/267197665.db2.gz VZJUFUJKWQWWOF-AWEZNQCLSA-N 1 1 252.402 3.065 20 30 CGEDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459399823 267236619 /nfs/dbraw/zinc/23/66/19/267236619.db2.gz AXRSGISCSUQFQH-FZMZJTMJSA-N 1 1 273.336 3.087 20 30 CGEDMO CCOc1ccc(C[N@H+](CC)C[C@H](C)C#N)cc1OC ZINC000120008695 267352229 /nfs/dbraw/zinc/35/22/29/267352229.db2.gz BVPRUSBSRGUKFG-CYBMUJFWSA-N 1 1 276.380 3.075 20 30 CGEDMO CCOc1ccc(C[N@@H+](CC)C[C@H](C)C#N)cc1OC ZINC000120008695 267352232 /nfs/dbraw/zinc/35/22/32/267352232.db2.gz BVPRUSBSRGUKFG-CYBMUJFWSA-N 1 1 276.380 3.075 20 30 CGEDMO N#CC1(C[NH2+]Cc2cc(F)cc(Br)c2)CCC1 ZINC000418144901 267366062 /nfs/dbraw/zinc/36/60/62/267366062.db2.gz VPCRUAVYNXROHW-UHFFFAOYSA-N 1 1 297.171 3.372 20 30 CGEDMO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000528767051 270171790 /nfs/dbraw/zinc/17/17/90/270171790.db2.gz KWKABJOHXGKHPS-LLVKDONJSA-N 1 1 250.292 3.178 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2cccs2)nc1 ZINC000519739483 268219574 /nfs/dbraw/zinc/21/95/74/268219574.db2.gz PSHPQQFBRWTXQJ-CQSZACIVSA-N 1 1 269.373 3.352 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000114472404 275382472 /nfs/dbraw/zinc/38/24/72/275382472.db2.gz IJTPNYBDFQSLPT-OAHLLOKOSA-N 1 1 281.403 3.430 20 30 CGEDMO CC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)[C@H](C)C(C)C ZINC000129700727 276087061 /nfs/dbraw/zinc/08/70/61/276087061.db2.gz JUWUSYAQYHSFMG-GFCCVEGCSA-N 1 1 291.395 3.073 20 30 CGEDMO CC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H](C)C(C)C ZINC000112658104 276121927 /nfs/dbraw/zinc/12/19/27/276121927.db2.gz NBMLIDWWULOZHU-CQSZACIVSA-N 1 1 287.407 3.253 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000334608695 278310054 /nfs/dbraw/zinc/31/00/54/278310054.db2.gz ZUQRIYQQRZFGST-KDOFPFPSSA-N 1 1 284.403 3.368 20 30 CGEDMO C[C@@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1ccc(C#N)cc1 ZINC000271889095 278383815 /nfs/dbraw/zinc/38/38/15/278383815.db2.gz RLLSYMDUVIJZBM-ABAIWWIYSA-N 1 1 266.348 3.010 20 30 CGEDMO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ncc[nH]1 ZINC000334904719 279538532 /nfs/dbraw/zinc/53/85/32/279538532.db2.gz GXKRFYGWIJXBIX-NHYWBVRUSA-N 1 1 266.348 3.010 20 30 CGEDMO C[C@H]1CCC[C@H](C)[NH+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459354257 279686277 /nfs/dbraw/zinc/68/62/77/279686277.db2.gz SJHIJZIDIOACID-RYUDHWBXSA-N 1 1 273.336 3.229 20 30 CGEDMO Cc1ccccc1[C@H]1CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000271161674 281393280 /nfs/dbraw/zinc/39/32/80/281393280.db2.gz IWTYWWRWEVOZRD-AWEZNQCLSA-N 1 1 266.344 3.449 20 30 CGEDMO Cc1nc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)cs1 ZINC000334611922 281904420 /nfs/dbraw/zinc/90/44/20/281904420.db2.gz VRWQKINSGVGHKU-INIZCTEOSA-N 1 1 283.400 3.490 20 30 CGEDMO Cc1nc2c(s1)[C@@H]([N@H+](C)CC1(C#N)CCC1)CCC2 ZINC000336186598 282028113 /nfs/dbraw/zinc/02/81/13/282028113.db2.gz LBYXVZVKJXKADP-ZDUSSCGKSA-N 1 1 275.421 3.455 20 30 CGEDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)CC1(C#N)CCC1)CCC2 ZINC000336186598 282028115 /nfs/dbraw/zinc/02/81/15/282028115.db2.gz LBYXVZVKJXKADP-ZDUSSCGKSA-N 1 1 275.421 3.455 20 30 CGEDMO CC(C)n1ccc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)n1 ZINC000554586493 289295443 /nfs/dbraw/zinc/29/54/43/289295443.db2.gz JBMNRJIFIAGETK-GFCCVEGCSA-N 1 1 286.354 3.326 20 30 CGEDMO N#CCCOCC[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000339250475 328003459 /nfs/dbraw/zinc/00/34/59/328003459.db2.gz UXVXZZQELXYYDJ-CQSZACIVSA-N 1 1 278.783 3.060 20 30 CGEDMO Cc1noc([C@H](C)[N@H+](C)CCCCC(C)(C)C#N)n1 ZINC000565167423 328070329 /nfs/dbraw/zinc/07/03/29/328070329.db2.gz WOHKZPZMLBMCBT-NSHDSACASA-N 1 1 264.373 3.091 20 30 CGEDMO Cc1noc([C@H](C)[N@@H+](C)CCCCC(C)(C)C#N)n1 ZINC000565167423 328070330 /nfs/dbraw/zinc/07/03/30/328070330.db2.gz WOHKZPZMLBMCBT-NSHDSACASA-N 1 1 264.373 3.091 20 30 CGEDMO C=CC(C)(C)CNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000571462935 328123315 /nfs/dbraw/zinc/12/33/15/328123315.db2.gz YWQPLMQVUJIHMV-CQSZACIVSA-N 1 1 294.826 3.271 20 30 CGEDMO N#CCCC[NH2+]Cc1csc(COc2ccccc2)n1 ZINC000273089671 328203866 /nfs/dbraw/zinc/20/38/66/328203866.db2.gz SGRILQILCUEZCY-UHFFFAOYSA-N 1 1 287.388 3.115 20 30 CGEDMO Cc1nc(C2([NH2+]CCCC(C)(C)C#N)CCCC2)no1 ZINC000174834239 329163644 /nfs/dbraw/zinc/16/36/44/329163644.db2.gz CDCBCPKYXVCPMJ-UHFFFAOYSA-N 1 1 276.384 3.067 20 30 CGEDMO C[NH+](C)[C@H]1CCCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000277340333 328221081 /nfs/dbraw/zinc/22/10/81/328221081.db2.gz WBJRYIRNROAWQY-KRWDZBQOSA-N 1 1 299.462 3.404 20 30 CGEDMO CCC[N@@H+](CC(=O)Nc1ccccc1C)[C@@H]1CC[C@H](C#N)C1 ZINC000278538026 328226741 /nfs/dbraw/zinc/22/67/41/328226741.db2.gz FZVYESLUYCJTHO-JKSUJKDBSA-N 1 1 299.418 3.338 20 30 CGEDMO C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)CCOCCC#N ZINC000293168455 328274618 /nfs/dbraw/zinc/27/46/18/328274618.db2.gz RVYPNIPSWOTQPO-ZDUSSCGKSA-N 1 1 280.799 3.133 20 30 CGEDMO CCc1oc2ccccc2c1C[N@@H+](C)CCOCCC#N ZINC000293529160 328276365 /nfs/dbraw/zinc/27/63/65/328276365.db2.gz PGSVUTGRTSHYGM-UHFFFAOYSA-N 1 1 286.375 3.357 20 30 CGEDMO CCc1nocc1C[N@@H+](C)CCCCC(C)(C)C#N ZINC000293552107 328276612 /nfs/dbraw/zinc/27/66/12/328276612.db2.gz ZDNDHHOFVVSZFM-UHFFFAOYSA-N 1 1 263.385 3.389 20 30 CGEDMO CC[C@@H](CSC)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000564324168 322027313 /nfs/dbraw/zinc/02/73/13/322027313.db2.gz FWZDIFHKBSMUTH-NSHDSACASA-N 1 1 254.424 3.193 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC(C)(C)C1 ZINC000566622432 322131683 /nfs/dbraw/zinc/13/16/83/322131683.db2.gz URLQHZHJKBVHDQ-LBPRGKRZSA-N 1 1 287.363 3.334 20 30 CGEDMO CC[C@H](C)[C@@H](C)[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000569464499 322248095 /nfs/dbraw/zinc/24/80/95/322248095.db2.gz HTLXCZBQVCOERC-UONOGXRCSA-N 1 1 299.418 3.396 20 30 CGEDMO Cc1cc(C[N@@H+](C)Cc2ccc(C#N)cn2)ccc1F ZINC000570694361 322280046 /nfs/dbraw/zinc/28/00/46/322280046.db2.gz GTVPKDAMZAXRLC-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO Cc1cc(C[N@H+](C)Cc2ccc(C#N)cn2)ccc1F ZINC000570694361 322280047 /nfs/dbraw/zinc/28/00/47/322280047.db2.gz GTVPKDAMZAXRLC-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc2c(cc1OC)C[C@H](C)O2 ZINC000535062363 328382247 /nfs/dbraw/zinc/38/22/47/328382247.db2.gz QNMHPRKCZOSRIV-ZDUSSCGKSA-N 1 1 275.392 3.417 20 30 CGEDMO C#CC[C@@H]([NH2+][C@H](C)c1cc(C)n(C)n1)c1ccccc1 ZINC000282307051 328508520 /nfs/dbraw/zinc/50/85/20/328508520.db2.gz SWKQBANBOXKQIK-GDBMZVCRSA-N 1 1 267.376 3.144 20 30 CGEDMO CCc1[nH+]c2ccccc2c(NC[C@H](C)C#N)c1C ZINC000557463669 327006732 /nfs/dbraw/zinc/00/67/32/327006732.db2.gz BFCODGKPIGUFAF-LLVKDONJSA-N 1 1 253.349 3.099 20 30 CGEDMO N#CC1(C[NH2+]Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000557629255 327017256 /nfs/dbraw/zinc/01/72/56/327017256.db2.gz PMZWYMVEMNLYSG-UHFFFAOYSA-N 1 1 284.281 3.021 20 30 CGEDMO CSC[C@@H]1CCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000343591128 327033513 /nfs/dbraw/zinc/03/35/13/327033513.db2.gz YZEDGJKQKGBYSB-HNNXBMFYSA-N 1 1 260.406 3.080 20 30 CGEDMO COc1ccc([C@@H](C)[N@@H+](C)CCCSCC#N)cc1 ZINC000074980524 327122458 /nfs/dbraw/zinc/12/24/58/327122458.db2.gz IVTKKRXNKWJEBQ-CYBMUJFWSA-N 1 1 278.421 3.335 20 30 CGEDMO C[C@H]1C[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)[C@H]1C ZINC000559349373 327163390 /nfs/dbraw/zinc/16/33/90/327163390.db2.gz AIUNDTATQGRXMN-RYUDHWBXSA-N 1 1 283.293 3.277 20 30 CGEDMO CC[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1cccc([N+](=O)[O-])c1 ZINC000090068823 327176951 /nfs/dbraw/zinc/17/69/51/327176951.db2.gz DXINMOBLYXHGJA-DOMZBBRYSA-N 1 1 286.335 3.079 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000569455745 327180147 /nfs/dbraw/zinc/18/01/47/327180147.db2.gz BNDUNHCYNZIMHB-GJZGRUSLSA-N 1 1 264.413 3.207 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000560630233 327332090 /nfs/dbraw/zinc/33/20/90/327332090.db2.gz WLLVRYMFTCPNAG-RTBURBONSA-N 1 1 299.414 3.395 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000560630233 327332092 /nfs/dbraw/zinc/33/20/92/327332092.db2.gz WLLVRYMFTCPNAG-RTBURBONSA-N 1 1 299.414 3.395 20 30 CGEDMO Cc1c(C[NH2+]C[C@H](C#N)CCC#N)oc2ccc(F)cc12 ZINC000560856749 327348029 /nfs/dbraw/zinc/34/80/29/327348029.db2.gz GVIQRDDRKVNCLZ-LBPRGKRZSA-N 1 1 285.322 3.413 20 30 CGEDMO CN(C)Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1F ZINC000361426082 328925289 /nfs/dbraw/zinc/92/52/89/328925289.db2.gz LKZFIRYNCAVHEP-CZUORRHYSA-N 1 1 289.398 3.059 20 30 CGEDMO C=CCC[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccco1 ZINC000377758532 329028245 /nfs/dbraw/zinc/02/82/45/329028245.db2.gz XGZFWJLITJUXMM-OCCSQVGLSA-N 1 1 271.364 3.157 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](CC=C)Cc1ccccc1F ZINC000178077532 329192249 /nfs/dbraw/zinc/19/22/49/329192249.db2.gz XREMBVKADKSYTR-HNNXBMFYSA-N 1 1 263.356 3.141 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(OC)c(OCCC)c1 ZINC000181048679 329225379 /nfs/dbraw/zinc/22/53/79/329225379.db2.gz POQDRMMELNXPQN-UHFFFAOYSA-N 1 1 263.381 3.492 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000181265824 329228874 /nfs/dbraw/zinc/22/88/74/329228874.db2.gz QGFJITXJVMNSDG-UHFFFAOYSA-N 1 1 298.386 3.218 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000181311591 329231047 /nfs/dbraw/zinc/23/10/47/329231047.db2.gz QFMZEMJZZBYQFX-LLVKDONJSA-N 1 1 266.772 3.175 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000181311591 329231048 /nfs/dbraw/zinc/23/10/48/329231048.db2.gz QFMZEMJZZBYQFX-LLVKDONJSA-N 1 1 266.772 3.175 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000185140541 329266390 /nfs/dbraw/zinc/26/63/90/329266390.db2.gz FTUHDTJLZPPSIM-HOTGVXAUSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cc(OC)c(OC)cc1F ZINC000582909584 329287064 /nfs/dbraw/zinc/28/70/64/329287064.db2.gz YMXHUBPJBBRJEL-CYBMUJFWSA-N 1 1 279.355 3.383 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(OC)c(OC)cc1F ZINC000582909584 329287065 /nfs/dbraw/zinc/28/70/65/329287065.db2.gz YMXHUBPJBBRJEL-CYBMUJFWSA-N 1 1 279.355 3.383 20 30 CGEDMO N#CCC1CC[NH+](Cc2ccn(C3CCCC3)n2)CC1 ZINC000397278142 329347573 /nfs/dbraw/zinc/34/75/73/329347573.db2.gz LWAJSHRSSDONES-UHFFFAOYSA-N 1 1 272.396 3.124 20 30 CGEDMO C[NH+](C)[C@H]1CCC[C@@H](NC2CC(C#N)(c3ccccc3)C2)C1 ZINC000127526558 329600375 /nfs/dbraw/zinc/60/03/75/329600375.db2.gz NXXHZYPPJWXBOP-RRENTHDGSA-N 1 1 297.446 3.073 20 30 CGEDMO COc1cccc(OC)c1C[NH2+]Cc1ccc(CC#N)cc1 ZINC000572362992 330007857 /nfs/dbraw/zinc/00/78/57/330007857.db2.gz CDMXNMUGWMKWPW-UHFFFAOYSA-N 1 1 296.370 3.060 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@@H](O)CC(F)(F)F ZINC000279261018 330122223 /nfs/dbraw/zinc/12/22/23/330122223.db2.gz ICZXMPLSTATGAR-AWEZNQCLSA-N 1 1 287.325 3.378 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000580454676 330141870 /nfs/dbraw/zinc/14/18/70/330141870.db2.gz XOACCOFDKFUCSF-ZDUSSCGKSA-N 1 1 294.345 3.301 20 30 CGEDMO C=C(C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)N)c1ccccc1 ZINC000423024010 330165994 /nfs/dbraw/zinc/16/59/94/330165994.db2.gz IKEOWDVYIDAMJB-APWZRJJASA-N 1 1 280.415 3.248 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]Cc1cncn1C(C)C ZINC000424145411 330290407 /nfs/dbraw/zinc/29/04/07/330290407.db2.gz NNOLUJROEBJQQA-UHFFFAOYSA-N 1 1 285.391 3.319 20 30 CGEDMO C=CC(C)(C)CC[NH2+][C@H]1CCN(CCCOCC)C[C@H]1C ZINC000527922804 330295907 /nfs/dbraw/zinc/29/59/07/330295907.db2.gz AXPMZZWHAAHRQB-SJORKVTESA-N 1 1 296.499 3.315 20 30 CGEDMO C=C(CC)C[NH+]1CCN(c2cc(F)ccc2F)CC1 ZINC000536893752 330362393 /nfs/dbraw/zinc/36/23/93/330362393.db2.gz MEUSPVOCOJUPFX-UHFFFAOYSA-N 1 1 266.335 3.053 20 30 CGEDMO C=CCOc1cccc(C[NH2+][C@H]2C[C@@H](C)n3ccnc32)c1 ZINC000449575300 330938275 /nfs/dbraw/zinc/93/82/75/330938275.db2.gz XRTIRYBRXCILHY-CJNGLKHVSA-N 1 1 283.375 3.244 20 30 CGEDMO C=CCC[C@@H]([NH2+][C@@H](CC)C1CCC1)C(=O)OCC ZINC000449656503 330942436 /nfs/dbraw/zinc/94/24/36/330942436.db2.gz LFIXUMNFPALORG-UONOGXRCSA-N 1 1 253.386 3.053 20 30 CGEDMO COc1ccc([C@@H](C)[NH2+]CC2(C#N)CCC2)cc1F ZINC000450663286 330991910 /nfs/dbraw/zinc/99/19/10/330991910.db2.gz SBNIKXIAIWAQOD-LLVKDONJSA-N 1 1 262.328 3.179 20 30 CGEDMO N#CC1(F)CC[NH+](Cc2ccccc2OC2CC2)CC1 ZINC000450976886 331009705 /nfs/dbraw/zinc/00/97/05/331009705.db2.gz RPXQWSYYECRDBO-UHFFFAOYSA-N 1 1 274.339 3.055 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCN(C2CC2)C[C@H](C)C1 ZINC000451089880 331015467 /nfs/dbraw/zinc/01/54/67/331015467.db2.gz FTUPQYIPNWLDIK-CABCVRRESA-N 1 1 250.430 3.147 20 30 CGEDMO CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000451256937 331022293 /nfs/dbraw/zinc/02/22/93/331022293.db2.gz PQECYAFELBNDIY-WBVHZDCISA-N 1 1 286.419 3.081 20 30 CGEDMO N#CC1(C[N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451543181 331033525 /nfs/dbraw/zinc/03/35/25/331033525.db2.gz BEZHANJUFWZYKR-AWEZNQCLSA-N 1 1 285.347 3.078 20 30 CGEDMO N#CC1(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451543181 331033526 /nfs/dbraw/zinc/03/35/26/331033526.db2.gz BEZHANJUFWZYKR-AWEZNQCLSA-N 1 1 285.347 3.078 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)[C@H]1C[C@H](c2cccc(OC)c2)C1 ZINC000452019849 331050708 /nfs/dbraw/zinc/05/07/08/331050708.db2.gz QSGDVMHTALYCPZ-BRWVUGGUSA-N 1 1 289.419 3.200 20 30 CGEDMO C=C(CC)C[NH2+][C@H](c1ccc(F)cc1)c1cnccn1 ZINC000453373434 331124520 /nfs/dbraw/zinc/12/45/20/331124520.db2.gz SOMAFGHANDSIPW-MRXNPFEDSA-N 1 1 271.339 3.261 20 30 CGEDMO N#C[C@@H]1CCC[C@H]([N@H+]2CCC[C@@]3(CCSC3)C2)C1 ZINC000453375881 331124688 /nfs/dbraw/zinc/12/46/88/331124688.db2.gz ULTKCRGCCSSRDB-QLFBSQMISA-N 1 1 264.438 3.288 20 30 CGEDMO C=C[C@H]1CCCCN1C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000455633843 331174461 /nfs/dbraw/zinc/17/44/61/331174461.db2.gz VSHMPYGFSDFMOH-AWEZNQCLSA-N 1 1 284.363 3.215 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1cnc(C2CC2)nc1 ZINC000459485567 331284477 /nfs/dbraw/zinc/28/44/77/331284477.db2.gz RYJNWHQYBMXQFH-UHFFFAOYSA-N 1 1 283.375 3.178 20 30 CGEDMO CC#CCC[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000459595828 331289836 /nfs/dbraw/zinc/28/98/36/331289836.db2.gz REUNITRZXGUSBJ-CQSZACIVSA-N 1 1 293.208 3.394 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000459595828 331289837 /nfs/dbraw/zinc/28/98/37/331289837.db2.gz REUNITRZXGUSBJ-CQSZACIVSA-N 1 1 293.208 3.394 20 30 CGEDMO C[C@H](C[N@@H+](C)CC(C)(C)CCC#N)C(=O)OC(C)(C)C ZINC000459756000 331298638 /nfs/dbraw/zinc/29/86/38/331298638.db2.gz FNASDXGOQQOUQG-CYBMUJFWSA-N 1 1 282.428 3.226 20 30 CGEDMO CC#CCC[N@H+](C)Cc1cc(Br)ccc1OC ZINC000462317000 331319452 /nfs/dbraw/zinc/31/94/52/331319452.db2.gz BOQRARKYQSTHDT-UHFFFAOYSA-N 1 1 296.208 3.303 20 30 CGEDMO CC#CCC[N@@H+]1C[C@H](C)C[C@H]1c1cccc(OC)c1 ZINC000462467119 331322462 /nfs/dbraw/zinc/32/24/62/331322462.db2.gz QIVXPGNDDFFPEG-PBHICJAKSA-N 1 1 257.377 3.492 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000463451869 331348039 /nfs/dbraw/zinc/34/80/39/331348039.db2.gz QXPSOQYDEFUPRA-AEFFLSMTSA-N 1 1 273.420 3.367 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000464565701 331362696 /nfs/dbraw/zinc/36/26/96/331362696.db2.gz AFYXYFBLNMLIPE-ZDUSSCGKSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CCCCCC[NH2+]C1(C(=O)OC)CCCCC1 ZINC000488406442 332004561 /nfs/dbraw/zinc/00/45/61/332004561.db2.gz LCPCNVAQFZGPOV-UHFFFAOYSA-N 1 1 253.386 3.198 20 30 CGEDMO C=CCCCCCN(C)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000498556407 332042621 /nfs/dbraw/zinc/04/26/21/332042621.db2.gz SFVYPBILXHPINU-MRXNPFEDSA-N 1 1 280.456 3.456 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1cc(C)cc(C)c1 ZINC000489406109 332050672 /nfs/dbraw/zinc/05/06/72/332050672.db2.gz RHYZJBMEBBKRCS-IAGOWNOFSA-N 1 1 289.419 3.084 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(C)ccc1C ZINC000489414420 332050861 /nfs/dbraw/zinc/05/08/61/332050861.db2.gz ZZPGFWDTWXVCBC-HNNXBMFYSA-N 1 1 272.392 3.282 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(C)ccc1C ZINC000489414420 332050863 /nfs/dbraw/zinc/05/08/63/332050863.db2.gz ZZPGFWDTWXVCBC-HNNXBMFYSA-N 1 1 272.392 3.282 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000489428603 332051384 /nfs/dbraw/zinc/05/13/84/332051384.db2.gz NKRNOXKLFYTLMS-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1 ZINC000489440434 332052745 /nfs/dbraw/zinc/05/27/45/332052745.db2.gz PELXOSJCAFTASK-OAHLLOKOSA-N 1 1 258.365 3.056 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1C[C@H](O)COc1c(C)cccc1C ZINC000489488073 332055583 /nfs/dbraw/zinc/05/55/83/332055583.db2.gz VYZAJRSTVNVRQX-IRXDYDNUSA-N 1 1 289.419 3.084 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1nc(-c2ccc(OC)cc2)no1 ZINC000489493275 332056474 /nfs/dbraw/zinc/05/64/74/332056474.db2.gz RSROQTQGYUOWIY-AWEZNQCLSA-N 1 1 299.374 3.286 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(OC)cc2)no1 ZINC000489493275 332056475 /nfs/dbraw/zinc/05/64/75/332056475.db2.gz RSROQTQGYUOWIY-AWEZNQCLSA-N 1 1 299.374 3.286 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc(SC)c1 ZINC000489505722 332057296 /nfs/dbraw/zinc/05/72/96/332057296.db2.gz FBVQGPORBVEEJD-AWEZNQCLSA-N 1 1 290.432 3.388 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(SC)c1 ZINC000489505722 332057297 /nfs/dbraw/zinc/05/72/97/332057297.db2.gz FBVQGPORBVEEJD-AWEZNQCLSA-N 1 1 290.432 3.388 20 30 CGEDMO CC#CCC[N@H+](C)[C@@H](COC)c1ccc(Cl)cc1 ZINC000490052149 332078765 /nfs/dbraw/zinc/07/87/65/332078765.db2.gz YNGRCRUHJIXJHN-HNNXBMFYSA-N 1 1 265.784 3.373 20 30 CGEDMO Cc1ccc([C@@H]2C[C@H](C)[N@H+](CC3(C#N)CC3)C2)cc1 ZINC000490073659 332080133 /nfs/dbraw/zinc/08/01/33/332080133.db2.gz RCBZGRMSYGKTDX-GOEBONIOSA-N 1 1 254.377 3.477 20 30 CGEDMO C#CC[N@H+](CC1CCC(=O)CC1)[C@@H]1CCc2ccccc21 ZINC000491294294 332183027 /nfs/dbraw/zinc/18/30/27/332183027.db2.gz AUWKVHIAXXUTAC-LJQANCHMSA-N 1 1 281.399 3.368 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cccc(-c2cccnc2)c1 ZINC000491427012 332209437 /nfs/dbraw/zinc/20/94/37/332209437.db2.gz ILKIZHROMDPGEN-CQSZACIVSA-N 1 1 250.345 3.202 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc2ccccc2c(Cl)n1 ZINC000491619601 332245706 /nfs/dbraw/zinc/24/57/06/332245706.db2.gz BCBYWPAFZJJSJK-LLVKDONJSA-N 1 1 258.752 3.342 20 30 CGEDMO C#CC[N@@H+](CCc1cscn1)[C@H]1CCc2ccccc21 ZINC000491713781 332304512 /nfs/dbraw/zinc/30/45/12/332304512.db2.gz DLISIXLLPMCOHD-KRWDZBQOSA-N 1 1 282.412 3.308 20 30 CGEDMO C#C[C@H]([NH2+]Cc1cccn1CC)c1ccc(F)cc1 ZINC000491768235 332335705 /nfs/dbraw/zinc/33/57/05/332335705.db2.gz HSUZYNLGZZYYHY-INIZCTEOSA-N 1 1 256.324 3.111 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1cc(F)cc(Br)c1 ZINC000312253606 333079109 /nfs/dbraw/zinc/07/91/09/333079109.db2.gz GSPCMLWTGBILIX-GFCCVEGCSA-N 1 1 285.160 3.370 20 30 CGEDMO COc1ccc(C[N@H+](C)CC#Cc2ccccc2)c(OC)c1 ZINC000191906422 333227321 /nfs/dbraw/zinc/22/73/21/333227321.db2.gz ISPNIZJZFPSFRO-UHFFFAOYSA-N 1 1 295.382 3.187 20 30 CGEDMO COc1ccc(C[N@@H+](C)CC#Cc2ccccc2)c(OC)c1 ZINC000191906422 333227322 /nfs/dbraw/zinc/22/73/22/333227322.db2.gz ISPNIZJZFPSFRO-UHFFFAOYSA-N 1 1 295.382 3.187 20 30 CGEDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)CC#Cc1ccccc1 ZINC000192076797 333229179 /nfs/dbraw/zinc/22/91/79/333229179.db2.gz LHPNYKWQOJDSRW-MRXNPFEDSA-N 1 1 279.383 3.307 20 30 CGEDMO C[N@H+]1CCC[C@@H]2C[NH+](CCCCC(C)(C)C#N)CC[C@@H]21 ZINC000234328955 333359613 /nfs/dbraw/zinc/35/96/13/333359613.db2.gz HOXCHZMKYFFQOR-CVEARBPZSA-N 1 1 277.456 3.123 20 30 CGEDMO C[N@@H+]1CCC[C@@H]2CN(CCCCC(C)(C)C#N)CC[C@@H]21 ZINC000234328955 333359617 /nfs/dbraw/zinc/35/96/17/333359617.db2.gz HOXCHZMKYFFQOR-CVEARBPZSA-N 1 1 277.456 3.123 20 30 CGEDMO C[N@H+]1CCC[C@@H]2CN(CCCCC(C)(C)C#N)CC[C@@H]21 ZINC000234328955 333359618 /nfs/dbraw/zinc/35/96/18/333359618.db2.gz HOXCHZMKYFFQOR-CVEARBPZSA-N 1 1 277.456 3.123 20 30 CGEDMO C[C@H]1CC[C@H]([N@H+](CC#Cc2cccc(Cl)c2)CCO)C1 ZINC000572529510 333383907 /nfs/dbraw/zinc/38/39/07/333383907.db2.gz WIOFCTRZMFJQOD-YOEHRIQHSA-N 1 1 291.822 3.174 20 30 CGEDMO C=CCCCC[N@@H+]1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000576105952 335155030 /nfs/dbraw/zinc/15/50/30/335155030.db2.gz LCABYTSONDQZIR-UHFFFAOYSA-N 1 1 278.440 3.210 20 30 CGEDMO C[N@@H+](CC#Cc1ccccc1Cl)[C@@H](CO)C(C)(C)C ZINC000135215187 334119857 /nfs/dbraw/zinc/11/98/57/334119857.db2.gz RIDVQEPFDFJMEJ-HNNXBMFYSA-N 1 1 279.811 3.030 20 30 CGEDMO C=CCN(CC=C)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000079393064 334153314 /nfs/dbraw/zinc/15/33/14/334153314.db2.gz OPFAUBQQIKCCJX-MRXNPFEDSA-N 1 1 293.455 3.025 20 30 CGEDMO C#CC[N@@H+](Cc1cc(C)no1)[C@@H]1CCc2ccccc21 ZINC000079997231 334165128 /nfs/dbraw/zinc/16/51/28/334165128.db2.gz WNHFKVTXLLEYBJ-QGZVFWFLSA-N 1 1 266.344 3.106 20 30 CGEDMO C#CC[N@H+](Cc1cc(C)no1)[C@@H]1CCc2ccccc21 ZINC000079997231 334165129 /nfs/dbraw/zinc/16/51/29/334165129.db2.gz WNHFKVTXLLEYBJ-QGZVFWFLSA-N 1 1 266.344 3.106 20 30 CGEDMO C=CCC(C)(C)C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000550857464 334230542 /nfs/dbraw/zinc/23/05/42/334230542.db2.gz TYPHFBORXQOQFP-KFWWJZLASA-N 1 1 250.430 3.051 20 30 CGEDMO C[N@H+](Cc1ccc2c(c1)CC(C)(C)O2)CC(C)(C)C#N ZINC000552316919 334316142 /nfs/dbraw/zinc/31/61/42/334316142.db2.gz SURZRUMVGJELES-UHFFFAOYSA-N 1 1 272.392 3.382 20 30 CGEDMO C[N@@H+](Cc1ccc2c(c1)CC(C)(C)O2)CC(C)(C)C#N ZINC000552316919 334316144 /nfs/dbraw/zinc/31/61/44/334316144.db2.gz SURZRUMVGJELES-UHFFFAOYSA-N 1 1 272.392 3.382 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)c1 ZINC000552423021 334326221 /nfs/dbraw/zinc/32/62/21/334326221.db2.gz NKRHPHWJCCIHOK-RBUKOAKNSA-N 1 1 299.414 3.395 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)c1 ZINC000552423021 334326222 /nfs/dbraw/zinc/32/62/22/334326222.db2.gz NKRHPHWJCCIHOK-RBUKOAKNSA-N 1 1 299.414 3.395 20 30 CGEDMO C=CCC[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000249264770 334330645 /nfs/dbraw/zinc/33/06/45/334330645.db2.gz IJXOFUGBPIQVDD-VQFNDLOPSA-N 1 1 272.436 3.309 20 30 CGEDMO C=CCNC(=O)[C@@H](C)[N@H+](CC)C[C@@H](CC)c1ccccc1 ZINC000249481834 334334606 /nfs/dbraw/zinc/33/46/06/334334606.db2.gz XBNUKKOZEINMTB-HZPDHXFCSA-N 1 1 288.435 3.193 20 30 CGEDMO N#CC1(C[NH2+]Cc2cnc(-c3ccccc3)s2)CC1 ZINC000567445273 334719876 /nfs/dbraw/zinc/71/98/76/334719876.db2.gz UHLCEGRCMZWKOU-UHFFFAOYSA-N 1 1 269.373 3.203 20 30 CGEDMO N#CCC[NH2+][C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000578995846 335696355 /nfs/dbraw/zinc/69/63/55/335696355.db2.gz BVBUVRRXIKTGOW-CMPLNLGQSA-N 1 1 255.148 3.353 20 30 CGEDMO CCC[C@H](C)C[N@@H+](CCN(C)C)Cc1ccc(C#N)cc1 ZINC000581515977 336092808 /nfs/dbraw/zinc/09/28/08/336092808.db2.gz RIBLEVNGRDKIFK-INIZCTEOSA-N 1 1 287.451 3.358 20 30 CGEDMO CCC[C@H](C)CN(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000581515977 336092809 /nfs/dbraw/zinc/09/28/09/336092809.db2.gz RIBLEVNGRDKIFK-INIZCTEOSA-N 1 1 287.451 3.358 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)CC1CC(F)(F)C1 ZINC000383598734 336114970 /nfs/dbraw/zinc/11/49/70/336114970.db2.gz ZCCNOPLBHNJASZ-UHFFFAOYSA-N 1 1 250.292 3.035 20 30 CGEDMO CC[C@H]1[C@@H](C)CC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000384285796 336123391 /nfs/dbraw/zinc/12/33/91/336123391.db2.gz NCZPZGIPZDFCJX-BBRMVZONSA-N 1 1 258.365 3.057 20 30 CGEDMO C[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000581728962 336138798 /nfs/dbraw/zinc/13/87/98/336138798.db2.gz CMDOYZUECMULKU-SMDDNHRTSA-N 1 1 273.336 3.087 20 30 CGEDMO Cc1cn[nH]c1C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000356093680 533988840 /nfs/dbraw/zinc/98/88/40/533988840.db2.gz VMQHXNPXZYLRPR-UHFFFAOYSA-N 1 1 282.391 3.248 20 30 CGEDMO Cc1c[nH]nc1C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000356093680 533988850 /nfs/dbraw/zinc/98/88/50/533988850.db2.gz VMQHXNPXZYLRPR-UHFFFAOYSA-N 1 1 282.391 3.248 20 30 CGEDMO Cc1c[nH]nc1C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000356093680 533988860 /nfs/dbraw/zinc/98/88/60/533988860.db2.gz VMQHXNPXZYLRPR-UHFFFAOYSA-N 1 1 282.391 3.248 20 30 CGEDMO C[C@@H]1CC[C@]2(CC[N@@H+](CCOc3cccc(C#N)c3)C2)C1 ZINC000359554984 534265592 /nfs/dbraw/zinc/26/55/92/534265592.db2.gz JOIJXBGMBGFVNA-QAPCUYQASA-N 1 1 284.403 3.449 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000075859901 526036126 /nfs/dbraw/zinc/03/61/26/526036126.db2.gz LURPHTDDLHRGHY-YJBOKZPZSA-N 1 1 285.435 3.425 20 30 CGEDMO C=CC[N@H+](CCCC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000343584585 526273568 /nfs/dbraw/zinc/27/35/68/526273568.db2.gz ZXBFBXLJLGPJFL-AWEZNQCLSA-N 1 1 285.395 3.011 20 30 CGEDMO C=C(C)CC[N@H+](CC)C[C@@H]1COc2ccccc2O1 ZINC000351902841 526440196 /nfs/dbraw/zinc/44/01/96/526440196.db2.gz ICKPMBPQJPSJPN-CQSZACIVSA-N 1 1 261.365 3.115 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000352025204 526443567 /nfs/dbraw/zinc/44/35/67/526443567.db2.gz KVYGSWMCGVYIGP-INIZCTEOSA-N 1 1 286.419 3.095 20 30 CGEDMO C=CCOCCC[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000347973515 526748512 /nfs/dbraw/zinc/74/85/12/526748512.db2.gz RPXLGTQCAJNGIQ-UHFFFAOYSA-N 1 1 285.334 3.313 20 30 CGEDMO C=CCOCCC[N@H+](C)Cc1cc(OC)c(OC)cc1C ZINC000347967644 526748550 /nfs/dbraw/zinc/74/85/50/526748550.db2.gz PXQYGXRNAWJWBH-UHFFFAOYSA-N 1 1 293.407 3.037 20 30 CGEDMO C=C1CC[NH+]([C@H](C)c2nnc(-c3ccccc3)o2)CC1 ZINC000336617448 526907504 /nfs/dbraw/zinc/90/75/04/526907504.db2.gz OJXQOHBJVIZACH-CYBMUJFWSA-N 1 1 269.348 3.450 20 30 CGEDMO C#CCOc1ccc(C[NH2+][C@@H](C)c2nccs2)cc1 ZINC000113338873 527105198 /nfs/dbraw/zinc/10/51/98/527105198.db2.gz ISQXPUYMAPQDJT-LBPRGKRZSA-N 1 1 272.373 3.006 20 30 CGEDMO C=CCCCCC[N@@H+](C)Cc1csc(COC)n1 ZINC000353897754 527129602 /nfs/dbraw/zinc/12/96/02/527129602.db2.gz JHUYSZUBCUMELT-UHFFFAOYSA-N 1 1 268.426 3.468 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1csc(COC)n1 ZINC000353897754 527129604 /nfs/dbraw/zinc/12/96/04/527129604.db2.gz JHUYSZUBCUMELT-UHFFFAOYSA-N 1 1 268.426 3.468 20 30 CGEDMO CC[N@@H+](C)Cc1cccc(CNc2ncc(C#N)cc2F)c1 ZINC000413074885 527849315 /nfs/dbraw/zinc/84/93/15/527849315.db2.gz QNCJPMMYRZCMGN-UHFFFAOYSA-N 1 1 298.365 3.156 20 30 CGEDMO CCC[N@@H+](CC)C[C@H](C)Nc1ncc(Cl)c(C)c1C#N ZINC000357774139 528000035 /nfs/dbraw/zinc/00/00/35/528000035.db2.gz JPTVAPVJYKKHDG-NSHDSACASA-N 1 1 294.830 3.447 20 30 CGEDMO CCN(CC)[C@@H](C)C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000359024442 528232512 /nfs/dbraw/zinc/23/25/12/528232512.db2.gz DZWYQHLPZKXNGC-QWHCGFSZSA-N 1 1 277.387 3.078 20 30 CGEDMO CCCCOCC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425530114 528588853 /nfs/dbraw/zinc/58/88/53/528588853.db2.gz DQEJNINVVGLPNE-CQSZACIVSA-N 1 1 260.381 3.368 20 30 CGEDMO CC[N@@H+](Cc1ccc(C)nn1)[C@H](C)c1ccc(C#N)cc1 ZINC000414372557 528777533 /nfs/dbraw/zinc/77/75/33/528777533.db2.gz PRIRBPQLJHOZGB-CQSZACIVSA-N 1 1 280.375 3.240 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(CC#N)cc2)[C@H]1[C@H]1CCCO1 ZINC000351968538 529124230 /nfs/dbraw/zinc/12/42/30/529124230.db2.gz QZLWBVPKJSHDFY-SJORKVTESA-N 1 1 284.403 3.142 20 30 CGEDMO CC[C@@H](NCC([NH3+])(CC)CC)c1ccc(C#N)cc1 ZINC000423286928 529156557 /nfs/dbraw/zinc/15/65/57/529156557.db2.gz JMHNGSRSLYIUMF-OAHLLOKOSA-N 1 1 259.397 3.116 20 30 CGEDMO Cc1ccc(N=NC2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000727260485 571737052 /nfs/dbraw/zinc/73/70/52/571737052.db2.gz WPISBKBUVSBGJF-UHFFFAOYSA-N 1 1 280.375 3.064 20 30 CGEDMO CC[C@H]1CCC[N@H+]1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000727823740 571771583 /nfs/dbraw/zinc/77/15/83/571771583.db2.gz CEBFVWKJGLWHNF-INIZCTEOSA-N 1 1 280.375 3.254 20 30 CGEDMO C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(OCC#N)cc1 ZINC000729266687 571893707 /nfs/dbraw/zinc/89/37/07/571893707.db2.gz AOLXDHGQHNFINA-UHFFFAOYSA-N 1 1 284.334 3.360 20 30 CGEDMO Cc1ccccc1-c1cccc(C=NN2CC[NH+](C)CC2)c1 ZINC000729633268 571926496 /nfs/dbraw/zinc/92/64/96/571926496.db2.gz MKSNMDKDNRRFEE-UHFFFAOYSA-N 1 1 293.414 3.243 20 30 CGEDMO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000593956563 571987041 /nfs/dbraw/zinc/98/70/41/571987041.db2.gz NYKMKCFDIRDYFG-KRWDZBQOSA-N 1 1 293.370 3.299 20 30 CGEDMO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000593956563 571987043 /nfs/dbraw/zinc/98/70/43/571987043.db2.gz NYKMKCFDIRDYFG-KRWDZBQOSA-N 1 1 293.370 3.299 20 30 CGEDMO C#CC[N@@H+](CC#CC)Cc1cc(Cl)cc2cccnc21 ZINC000743852970 572408355 /nfs/dbraw/zinc/40/83/55/572408355.db2.gz NNEFMOMIKJQYFM-UHFFFAOYSA-N 1 1 282.774 3.347 20 30 CGEDMO C#CC[N@H+](CC#CC)Cc1cc(Cl)cc2cccnc21 ZINC000743852970 572408357 /nfs/dbraw/zinc/40/83/57/572408357.db2.gz NNEFMOMIKJQYFM-UHFFFAOYSA-N 1 1 282.774 3.347 20 30 CGEDMO N#Cc1ccc(-c2cccc(C[NH2+]Cc3cc[nH]n3)c2)s1 ZINC000740014235 572428846 /nfs/dbraw/zinc/42/88/46/572428846.db2.gz ONXVDAKMPHQQTA-UHFFFAOYSA-N 1 1 294.383 3.300 20 30 CGEDMO CCCCCCC[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000740877615 572465291 /nfs/dbraw/zinc/46/52/91/572465291.db2.gz SWCLJWZXASAVKH-QGZVFWFLSA-N 1 1 282.472 3.144 20 30 CGEDMO CC(C)C[N@H+](CCC#N)CCc1nc(-c2ccccc2)no1 ZINC000740878492 572465621 /nfs/dbraw/zinc/46/56/21/572465621.db2.gz IYELXBBJPRYSDO-UHFFFAOYSA-N 1 1 298.390 3.151 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)CCc1nc(-c2ccccc2)no1 ZINC000740878492 572465623 /nfs/dbraw/zinc/46/56/23/572465623.db2.gz IYELXBBJPRYSDO-UHFFFAOYSA-N 1 1 298.390 3.151 20 30 CGEDMO C#CCOc1ccccc1C[NH2+]Cc1c(C)cccc1F ZINC000742380352 572571160 /nfs/dbraw/zinc/57/11/60/572571160.db2.gz MJFZJHNUGWPETO-UHFFFAOYSA-N 1 1 283.346 3.436 20 30 CGEDMO C=CCCCCC[N@@H+](C)CN1C(=O)C[C@@](C)(C(C)C)C1=O ZINC000739883656 572598649 /nfs/dbraw/zinc/59/86/49/572598649.db2.gz CNVRMOWPZWPEDK-KRWDZBQOSA-N 1 1 294.439 3.043 20 30 CGEDMO C=CCCCCC[N@H+](C)CN1C(=O)C[C@@](C)(C(C)C)C1=O ZINC000739883656 572598653 /nfs/dbraw/zinc/59/86/53/572598653.db2.gz CNVRMOWPZWPEDK-KRWDZBQOSA-N 1 1 294.439 3.043 20 30 CGEDMO C#CC(C)(C)NC(=O)c1ccc(C[N@H+](CC)CCC)cc1 ZINC000733979244 572623090 /nfs/dbraw/zinc/62/30/90/572623090.db2.gz YANWYJDTSWFHFQ-UHFFFAOYSA-N 1 1 286.419 3.060 20 30 CGEDMO CCCCCC[N@@H+](C)CC(=O)N[C@@]1(C#N)CCC[C@H](C)C1 ZINC000735658413 572737072 /nfs/dbraw/zinc/73/70/72/572737072.db2.gz ATCAOSOCNNOEKB-RDJZCZTQSA-N 1 1 293.455 3.087 20 30 CGEDMO C#CC[N@H+](Cc1ccc(F)c(Br)c1)C1CC1 ZINC000746123565 572855094 /nfs/dbraw/zinc/85/50/94/572855094.db2.gz QIKPUQKEFSTQHV-UHFFFAOYSA-N 1 1 282.156 3.186 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)c1cccc(Br)c1 ZINC000746145198 572857183 /nfs/dbraw/zinc/85/71/83/572857183.db2.gz RIUBAXODXDPVIH-LLVKDONJSA-N 1 1 266.182 3.465 20 30 CGEDMO C[C@@H]1CC(=NN2CC[NH+](C)CC2)C[C@H](c2ccccc2)C1 ZINC000749853292 573047834 /nfs/dbraw/zinc/04/78/34/573047834.db2.gz JIUKGYXKZUDBOS-DOTOQJQBSA-N 1 1 285.435 3.194 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1c(Cl)n[nH]c1C1CC1 ZINC000891455910 618226986 /nfs/dbraw/zinc/22/69/86/618226986.db2.gz BOOAZUMNYBJYSB-UHFFFAOYSA-N 1 1 253.777 3.339 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1c(Cl)n[nH]c1C1CC1 ZINC000891455910 618226990 /nfs/dbraw/zinc/22/69/90/618226990.db2.gz BOOAZUMNYBJYSB-UHFFFAOYSA-N 1 1 253.777 3.339 20 30 CGEDMO C=C(C)CC[NH+]1CC(N(CC)C(=O)c2cc(C)cs2)C1 ZINC000950034047 613246109 /nfs/dbraw/zinc/24/61/09/613246109.db2.gz ARWBPBJDBANCHA-UHFFFAOYSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccco1 ZINC000968726795 613251142 /nfs/dbraw/zinc/25/11/42/613251142.db2.gz BSVGMBYBNUYTPG-OAHLLOKOSA-N 1 1 290.407 3.220 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)C(F)=C2CCCC2)CC1 ZINC000980965940 613251495 /nfs/dbraw/zinc/25/14/95/613251495.db2.gz BJOGHQTXHVEGLI-UHFFFAOYSA-N 1 1 294.414 3.285 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)C2C(C)(C)C2(C)C)CC1 ZINC000980908528 613251821 /nfs/dbraw/zinc/25/18/21/613251821.db2.gz DSRYEVATPAXERF-UHFFFAOYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)C=C2CCCCC2)CC1 ZINC000980796490 613251865 /nfs/dbraw/zinc/25/18/65/613251865.db2.gz VFQYMSSAOYHVPY-UHFFFAOYSA-N 1 1 290.451 3.377 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)c2sccc2C)CC1 ZINC000980630613 613256396 /nfs/dbraw/zinc/25/63/96/613256396.db2.gz XIKWHQRMEMCEDE-UHFFFAOYSA-N 1 1 292.448 3.171 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC23CC3)CC1 ZINC000948808808 613256503 /nfs/dbraw/zinc/25/65/03/613256503.db2.gz JQWNOSVZCFQCBK-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCC)C1 ZINC000963244825 613257317 /nfs/dbraw/zinc/25/73/17/613257317.db2.gz QVHSTVHZZLAPLA-SJORKVTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2(F)CCCC2)[C@@H](C)C1 ZINC000942201541 613265500 /nfs/dbraw/zinc/26/55/00/613265500.db2.gz XJMRIPPNBORRQL-LSDHHAIUSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2CCCC2)C[C@H]1C ZINC000946972032 613265887 /nfs/dbraw/zinc/26/58/87/613265887.db2.gz VJTIVDNTENDHFF-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2(F)CCCC2)[C@H](C)C1 ZINC000942201538 613270397 /nfs/dbraw/zinc/27/03/97/613270397.db2.gz XJMRIPPNBORRQL-CABCVRRESA-N 1 1 296.430 3.062 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C(C)C)C[C@H]1C ZINC000947369463 613270684 /nfs/dbraw/zinc/27/06/84/613270684.db2.gz MNJDQFAUJFJCBN-CVEARBPZSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC2(C)C)C(C)(C)C1 ZINC000940689787 613271696 /nfs/dbraw/zinc/27/16/96/613271696.db2.gz PJHCYQWPZFBAFZ-CABCVRRESA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccoc2C)C[C@@H]1C ZINC000947032040 613272531 /nfs/dbraw/zinc/27/25/31/613272531.db2.gz JIQIVNZREGVSAJ-ZFWWWQNUSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C2CCC2)C(C)(C)C1 ZINC000974719156 613273813 /nfs/dbraw/zinc/27/38/13/613273813.db2.gz KKPZNXHDDIHRLS-GOEBONIOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2cccc(C3CC3)c2)C1 ZINC000980499461 613286570 /nfs/dbraw/zinc/28/65/70/613286570.db2.gz AWRSXBWXGLTWLD-GOSISDBHSA-N 1 1 298.430 3.286 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)C2(C)CCCCC2)C1 ZINC000972229394 613287798 /nfs/dbraw/zinc/28/77/98/613287798.db2.gz ZZBOBVSWJNVOJA-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)C1CCCC1 ZINC000968729430 613306244 /nfs/dbraw/zinc/30/62/44/613306244.db2.gz FPGPODLUVPCWQF-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccsc1 ZINC000968744170 613306775 /nfs/dbraw/zinc/30/67/75/613306775.db2.gz FKVALRDWMZBOOT-OAHLLOKOSA-N 1 1 292.448 3.299 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)C[C@@H]2C=CCC2)CC1 ZINC000948173058 613313942 /nfs/dbraw/zinc/31/39/42/613313942.db2.gz HGQGSFJESDJJJI-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)F)C1 ZINC000963239659 613314250 /nfs/dbraw/zinc/31/42/50/613314250.db2.gz YUPHFRBBGMTTNS-HUUCEWRRSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)c2ccc(C3CCC3)cc2)CC1 ZINC000948645703 613320361 /nfs/dbraw/zinc/32/03/61/613320361.db2.gz TUWXQLYCFHAMKG-UHFFFAOYSA-N 1 1 298.430 3.288 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C2CCC2)[C@H](C)C1 ZINC000942535613 613326323 /nfs/dbraw/zinc/32/63/23/613326323.db2.gz LQSWCGPIUNHDJM-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2=CCCCCC2)[C@@H](C)C1 ZINC000941991265 613326863 /nfs/dbraw/zinc/32/68/63/613326863.db2.gz DSKJMBCQWQAPPU-DOTOQJQBSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC000967491872 613332012 /nfs/dbraw/zinc/33/20/12/613332012.db2.gz AVYFKZQPJOMTQP-HOCLYGCPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccccc2C)C1 ZINC000964777698 613334183 /nfs/dbraw/zinc/33/41/83/613334183.db2.gz XEUAHYFNUOUSHO-DOTOQJQBSA-N 1 1 286.419 3.011 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2(F)CCCCC2)C[C@@H]1C ZINC000947894502 613334799 /nfs/dbraw/zinc/33/47/99/613334799.db2.gz ALFSKKGWUPQYTP-GJZGRUSLSA-N 1 1 296.430 3.204 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2CCCCC2)C[C@@H]1C ZINC000947000378 613334835 /nfs/dbraw/zinc/33/48/35/613334835.db2.gz HCGHBNJCVBAQJE-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2C)C[C@H]1C ZINC000947008854 613336169 /nfs/dbraw/zinc/33/61/69/613336169.db2.gz BVCOENVSZWGUGT-CVEARBPZSA-N 1 1 286.419 3.154 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cscc2C)[C@@H](C)C1 ZINC000941905229 613337116 /nfs/dbraw/zinc/33/71/16/613337116.db2.gz XVTIVIAGDUVFAC-WFASDCNBSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)/C(C)=C\C)C2)C1 ZINC000961144733 613337482 /nfs/dbraw/zinc/33/74/82/613337482.db2.gz WASYSDJJZXAGNG-WCLYRPPWSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2csc(C)c2)C(C)(C)C1 ZINC000977321792 613338924 /nfs/dbraw/zinc/33/89/24/613338924.db2.gz SRBROCSQZHBJCP-CQSZACIVSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)[C@@]2(C)CC=CCC2)C(C)(C)C1 ZINC000974618154 613341984 /nfs/dbraw/zinc/34/19/84/613341984.db2.gz CVILOGYDJXVLKY-YJBOKZPZSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(C)C)cc1 ZINC000962372208 613345543 /nfs/dbraw/zinc/34/55/43/613345543.db2.gz OEYIEIJCGGEOGQ-PIIMJCKOSA-N 1 1 298.430 3.046 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CC=CCC2)C1 ZINC000972095035 613370036 /nfs/dbraw/zinc/37/00/36/613370036.db2.gz MAKRZEXNQNMPGQ-CABCVRRESA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CC=CCC2)C1 ZINC000972095035 613370037 /nfs/dbraw/zinc/37/00/37/613370037.db2.gz MAKRZEXNQNMPGQ-CABCVRRESA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC1(C)C ZINC000968808956 613372884 /nfs/dbraw/zinc/37/28/84/613372884.db2.gz BNPGRPHETMDTNK-ZIAGYGMSSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC1(C)C ZINC000968808956 613372885 /nfs/dbraw/zinc/37/28/85/613372885.db2.gz BNPGRPHETMDTNK-ZIAGYGMSSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2CC)CC1 ZINC000948796658 613374168 /nfs/dbraw/zinc/37/41/68/613374168.db2.gz NQQCBRFNAPTDNI-RBSFLKMASA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC2(C)C)C(C)(C)C1 ZINC000940687502 613376626 /nfs/dbraw/zinc/37/66/26/613376626.db2.gz VJRFTSVEMGOZHR-QWHCGFSZSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC2(C)C)C(C)(C)C1 ZINC000940687502 613376627 /nfs/dbraw/zinc/37/66/27/613376627.db2.gz VJRFTSVEMGOZHR-QWHCGFSZSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC2(C)C)C(C)(C)C1 ZINC000940687504 613378559 /nfs/dbraw/zinc/37/85/59/613378559.db2.gz VJRFTSVEMGOZHR-STQMWFEESA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC2(C)C)C(C)(C)C1 ZINC000940687504 613378560 /nfs/dbraw/zinc/37/85/60/613378560.db2.gz VJRFTSVEMGOZHR-STQMWFEESA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCC)C2)C1 ZINC000961102294 613379539 /nfs/dbraw/zinc/37/95/39/613379539.db2.gz SYJHVLBGPYQJNH-GJZGRUSLSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[N@@H+](CC3CCCC3)CC2)C1 ZINC000981909967 613393407 /nfs/dbraw/zinc/39/34/07/613393407.db2.gz VOGCCAMCTZJSQE-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](CCC3CC3)[C@H](C)C2)C1 ZINC000947701490 613397390 /nfs/dbraw/zinc/39/73/90/613397390.db2.gz CJMTYABAGUVUEM-GDBMZVCRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2C[N@H+](CCCC)CC2(C)C)CC1 ZINC000975008996 613412787 /nfs/dbraw/zinc/41/27/87/613412787.db2.gz GEUPFZUGRBNUSP-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC([C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000961392963 613429880 /nfs/dbraw/zinc/42/98/80/613429880.db2.gz NLVYITOYWYQLMG-MRXNPFEDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@H]([C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000961229375 613432864 /nfs/dbraw/zinc/43/28/64/613432864.db2.gz MBPYUMSSQDTGGV-HOTGVXAUSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC000957430162 613478113 /nfs/dbraw/zinc/47/81/13/613478113.db2.gz WURMZPZMIKLNQX-HNNXBMFYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC000948759281 613499765 /nfs/dbraw/zinc/49/97/65/613499765.db2.gz VWUVAYOZEMHTPF-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)C2CC3(CC3)C2)CC1 ZINC000948767493 613499873 /nfs/dbraw/zinc/49/98/73/613499873.db2.gz XPLNBTHYZJERDJ-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC2CC2)C1 ZINC000963246498 613500464 /nfs/dbraw/zinc/50/04/64/613500464.db2.gz IGNSWTVBDGBUOO-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=Cc1ccc(C(=O)N2CCC[N@H+](CC(=C)C)CC2)cc1 ZINC000982007674 613511568 /nfs/dbraw/zinc/51/15/68/613511568.db2.gz HUXRDGTUCVEPON-UHFFFAOYSA-N 1 1 284.403 3.054 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C2(C)CCCCC2)C1 ZINC000968190701 613514366 /nfs/dbraw/zinc/51/43/66/613514366.db2.gz LNOUEGONGQCOAO-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cscc2C)C1 ZINC000965769183 613516851 /nfs/dbraw/zinc/51/68/51/613516851.db2.gz WSZNSULVZFYQKJ-DOMZBBRYSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C2CCC=CCC2)C1 ZINC000968665455 613528823 /nfs/dbraw/zinc/52/88/23/613528823.db2.gz SBCQCUQJDLXSTO-RDJZCZTQSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2csc(C)c2)C1 ZINC000968423087 613530652 /nfs/dbraw/zinc/53/06/52/613530652.db2.gz MWXDNMJHZALHIA-WFASDCNBSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C)C[C@@H]1C ZINC000947010566 613539022 /nfs/dbraw/zinc/53/90/22/613539022.db2.gz YIGFNEXOEIRMKF-HOTGVXAUSA-N 1 1 286.419 3.154 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccoc2Cl)C[C@H]1C ZINC000947248184 613539758 /nfs/dbraw/zinc/53/97/58/613539758.db2.gz GECXLTJYFJKQEZ-NEPJUHHUSA-N 1 1 296.798 3.092 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C=C(C)C)C2)C1 ZINC000961111672 613543310 /nfs/dbraw/zinc/54/33/10/613543310.db2.gz KZECFMXINGUVLX-SJORKVTESA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)c2coc3c2cccc3C)C1 ZINC000971689530 613640130 /nfs/dbraw/zinc/64/01/30/613640130.db2.gz KJNXMXWXNWARAH-AWEZNQCLSA-N 1 1 298.386 3.074 20 30 CGEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)c3cc(C)ccc3C)C2)C1 ZINC000982130140 613681409 /nfs/dbraw/zinc/68/14/09/613681409.db2.gz CYWLWRXFJAPRBG-UHFFFAOYSA-N 1 1 298.430 3.027 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cscc1C ZINC000968804610 613685516 /nfs/dbraw/zinc/68/55/16/613685516.db2.gz ZHTWRDQPPRTRDK-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)C(C)=C2CCCC2)CC1 ZINC000948285823 613700393 /nfs/dbraw/zinc/70/03/93/613700393.db2.gz DGYPXEATZVNEPD-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)c2csc(C)c2)CC1 ZINC000948857198 613705943 /nfs/dbraw/zinc/70/59/43/613705943.db2.gz VODNJSTVTQKIGU-HNNXBMFYSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(F)=C(C)C)C1 ZINC000963288127 613706199 /nfs/dbraw/zinc/70/61/99/613706199.db2.gz YGESDLSZENRFFC-CABCVRRESA-N 1 1 294.414 3.139 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)C2(C)CCCCC2)C(C)(C)C1 ZINC000941002110 613740233 /nfs/dbraw/zinc/74/02/33/613740233.db2.gz FBVOSLPXCXYGLT-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C2CCC2)C(C)(C)C1 ZINC000940918780 613740613 /nfs/dbraw/zinc/74/06/13/613740613.db2.gz UYPKLIMUNFOTQR-OAHLLOKOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2c(C)cccc2C)C[C@@H]1C ZINC000947730708 613747321 /nfs/dbraw/zinc/74/73/21/613747321.db2.gz DVGFVMPPIZYZMI-JKSUJKDBSA-N 1 1 286.419 3.072 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc3occc3c2)C1 ZINC000966300046 613769304 /nfs/dbraw/zinc/76/93/04/613769304.db2.gz QVWCFADLWBVYFX-BBRMVZONSA-N 1 1 298.386 3.059 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C2CCCC2)C[C@@H]1C ZINC000947400161 613779194 /nfs/dbraw/zinc/77/91/94/613779194.db2.gz RPRWIYVMKSNCNO-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C)cc2)C(C)(C)C1 ZINC000941185984 613789656 /nfs/dbraw/zinc/78/96/56/613789656.db2.gz YNINWYRANOHCOM-INIZCTEOSA-N 1 1 286.419 3.011 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC(C)=C(C)C2)C(C)(C)C1 ZINC000974642863 613808181 /nfs/dbraw/zinc/80/81/81/613808181.db2.gz YRRXPNWTAJZVJJ-JKSUJKDBSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)c2cccc(C3CC3)c2)C(C)(C)C1 ZINC000977651620 613829416 /nfs/dbraw/zinc/82/94/16/613829416.db2.gz PFPKPYHYHNNFMA-KRWDZBQOSA-N 1 1 298.430 3.190 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccccc2OC)no1 ZINC000899993380 620743096 /nfs/dbraw/zinc/74/30/96/620743096.db2.gz FGYRAUSWSNOYAE-GFCCVEGCSA-N 1 1 273.336 3.101 20 30 CGEDMO CCN(CC)c1ccc(C=[NH+]OC/C=C\Cl)c(O)c1 ZINC000811669986 617701217 /nfs/dbraw/zinc/70/12/17/617701217.db2.gz LUPGJVAKFZSKDP-CASMWYGASA-N 1 1 282.771 3.341 20 30 CGEDMO CCCCCCCC[C@H]([NH3+])c1nc(-c2cnccn2)no1 ZINC000900005132 620744511 /nfs/dbraw/zinc/74/45/11/620744511.db2.gz ZTAGTOXATHXFAN-LBPRGKRZSA-N 1 1 289.383 3.277 20 30 CGEDMO C#CCC1([NH2+][C@H](C)c2noc(-c3ccccc3)n2)CCC1 ZINC000933296085 618192861 /nfs/dbraw/zinc/19/28/61/618192861.db2.gz AOQVEZJWJTUZEE-CYBMUJFWSA-N 1 1 281.359 3.333 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cn(C)nc1C1CCCC1 ZINC000891449475 618221612 /nfs/dbraw/zinc/22/16/12/618221612.db2.gz XJKDYGZYOUNZQJ-UHFFFAOYSA-N 1 1 259.397 3.252 20 30 CGEDMO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1csc(C#N)c1 ZINC000891503973 618233068 /nfs/dbraw/zinc/23/30/68/618233068.db2.gz ZFERSWLQMXOSLK-OAHLLOKOSA-N 1 1 271.389 3.295 20 30 CGEDMO Cn1cccc1[C@H]1CCC[N@H+]1Cc1csc(C#N)c1 ZINC000891503973 618233071 /nfs/dbraw/zinc/23/30/71/618233071.db2.gz ZFERSWLQMXOSLK-OAHLLOKOSA-N 1 1 271.389 3.295 20 30 CGEDMO C#CC[N@H+](Cc1cn(C)nc1C1CC1)C1CCCCC1 ZINC000891825037 618318529 /nfs/dbraw/zinc/31/85/29/618318529.db2.gz XIHPPUYXQXBPNS-UHFFFAOYSA-N 1 1 271.408 3.065 20 30 CGEDMO C[N@@H+](CCSc1ccncc1)Cc1cc(C#N)cs1 ZINC000933769646 618320280 /nfs/dbraw/zinc/32/02/80/618320280.db2.gz BHHLVWHAUQVWJB-UHFFFAOYSA-N 1 1 289.429 3.239 20 30 CGEDMO C[N@@H+](CCc1cccc(F)c1)Cc1cc(C#N)cs1 ZINC000933769791 618321242 /nfs/dbraw/zinc/32/12/42/618321242.db2.gz FVHHZONKNSBJEN-UHFFFAOYSA-N 1 1 274.364 3.433 20 30 CGEDMO Cc1cccc(C)c1C[N@@H+](C)CCCSCC#N ZINC000933764621 618321743 /nfs/dbraw/zinc/32/17/43/618321743.db2.gz AXQHHVDLNCIVQY-UHFFFAOYSA-N 1 1 262.422 3.382 20 30 CGEDMO C#CCC[N@@H+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000933817990 618335958 /nfs/dbraw/zinc/33/59/58/618335958.db2.gz FKGGHCGUANNOBX-UHFFFAOYSA-N 1 1 250.345 3.280 20 30 CGEDMO COC1CCC(C[N@@H+](CCC#N)CCC(C)C)CC1 ZINC000891937888 618394814 /nfs/dbraw/zinc/39/48/14/618394814.db2.gz SREJCCRDXIOQDY-UHFFFAOYSA-N 1 1 266.429 3.453 20 30 CGEDMO Cc1[nH+]ccn1CCCCOC(=O)c1cc(C#N)ccc1C ZINC000924395536 618434552 /nfs/dbraw/zinc/43/45/52/618434552.db2.gz QMYYYSNYQGVCOA-UHFFFAOYSA-N 1 1 297.358 3.009 20 30 CGEDMO CC(C)CC(N)=[NH+]OCc1csc(C(C)(C)C)n1 ZINC000065204183 618449806 /nfs/dbraw/zinc/44/98/06/618449806.db2.gz WOPCANAFUZGTFE-UHFFFAOYSA-N 1 1 269.414 3.276 20 30 CGEDMO C[C@H](NN=C1CCC[N@H+]2CCCC[C@@H]12)C(C)(C)C ZINC000848409649 618496393 /nfs/dbraw/zinc/49/63/93/618496393.db2.gz CBRXMKQENKIUPP-JSGCOSHPSA-N 1 1 251.418 3.015 20 30 CGEDMO Cc1c(C[N@@H+](CCC#N)CC(C)C)cccc1[N+](=O)[O-] ZINC000043419638 618594379 /nfs/dbraw/zinc/59/43/79/618594379.db2.gz QIMXRZCVPDOYHZ-UHFFFAOYSA-N 1 1 275.352 3.275 20 30 CGEDMO Cc1c(C[N@H+](CCC#N)CC(C)C)cccc1[N+](=O)[O-] ZINC000043419638 618594389 /nfs/dbraw/zinc/59/43/89/618594389.db2.gz QIMXRZCVPDOYHZ-UHFFFAOYSA-N 1 1 275.352 3.275 20 30 CGEDMO C#CCCCCC[N@H+]1CC[C@H](Cc2nccs2)C1 ZINC000934332295 618595217 /nfs/dbraw/zinc/59/52/17/618595217.db2.gz QQRHPOMGJLAMEE-CQSZACIVSA-N 1 1 262.422 3.201 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1[C@H](C)C(=O)Nc1cccc(SC)c1 ZINC000934472643 618628274 /nfs/dbraw/zinc/62/82/74/618628274.db2.gz OTZOOUUJVBMEFN-TZMCWYRMSA-N 1 1 290.432 3.386 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1cccc(SC)c1 ZINC000934472643 618628276 /nfs/dbraw/zinc/62/82/76/618628276.db2.gz OTZOOUUJVBMEFN-TZMCWYRMSA-N 1 1 290.432 3.386 20 30 CGEDMO CCc1ncc(C[NH2+][C@@H](CC)c2cccc(C#N)c2O)o1 ZINC000926543139 618731996 /nfs/dbraw/zinc/73/19/96/618731996.db2.gz VTNWTVOCIDCMKM-AWEZNQCLSA-N 1 1 285.347 3.055 20 30 CGEDMO C#Cc1cccc(C[NH2+][C@H](C)c2cn3c(n2)CCCC3)c1 ZINC000926549210 618733873 /nfs/dbraw/zinc/73/38/73/618733873.db2.gz DVIYKWQEBFYIJV-CQSZACIVSA-N 1 1 279.387 3.052 20 30 CGEDMO C#CC[N@@H+]1CC=C(c2c(C)[nH]c3ccccc32)CC1 ZINC000177095331 618794550 /nfs/dbraw/zinc/79/45/50/618794550.db2.gz NNKOISBYUUNKMF-UHFFFAOYSA-N 1 1 250.345 3.199 20 30 CGEDMO C[C@@H](O[NH+]=C(N)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000178138912 618858843 /nfs/dbraw/zinc/85/88/43/618858843.db2.gz FJEALHFNWNRMTR-SNVBAGLBSA-N 1 1 277.324 3.135 20 30 CGEDMO CCCCCCCCCC(=O)N1CCC[N@@H+](C)CC1 ZINC000163064460 618885011 /nfs/dbraw/zinc/88/50/11/618885011.db2.gz QSTPNYNOKAMWCV-UHFFFAOYSA-N 1 1 268.445 3.291 20 30 CGEDMO CCC[N@@H+](C)C[C@@H]1CCN(c2ccc(C#N)cc2Cl)C1 ZINC000892722585 618924611 /nfs/dbraw/zinc/92/46/11/618924611.db2.gz VSMZKHSRSXMBHU-AWEZNQCLSA-N 1 1 291.826 3.380 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CCC)C1 ZINC001007880602 619028852 /nfs/dbraw/zinc/02/88/52/619028852.db2.gz HTSMLONXFQWDQA-INIZCTEOSA-N 1 1 286.419 3.019 20 30 CGEDMO N#CC1CCC(C[N@@H+]2CCc3c(O)cccc3C2)CC1 ZINC000931262043 619134498 /nfs/dbraw/zinc/13/44/98/619134498.db2.gz KUHOMOQAMACWRD-UHFFFAOYSA-N 1 1 270.376 3.080 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001009612104 619182331 /nfs/dbraw/zinc/18/23/31/619182331.db2.gz PLURAHFLRCRYET-GOSISDBHSA-N 1 1 298.430 3.334 20 30 CGEDMO C[C@@H]1C[C@H](Nc2nc3ccccc3cc2C#N)CC[N@H+]1C ZINC000094267075 619242868 /nfs/dbraw/zinc/24/28/68/619242868.db2.gz KDSRDVQMUZQDOT-IUODEOHRSA-N 1 1 280.375 3.001 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000931754175 619249052 /nfs/dbraw/zinc/24/90/52/619249052.db2.gz ZPCDRPKUCGUACO-AEFFLSMTSA-N 1 1 284.403 3.176 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@@H](c3ccccn3)C2)cs1 ZINC000894245874 619439835 /nfs/dbraw/zinc/43/98/35/619439835.db2.gz NOQRHSBRJYRCGG-CYBMUJFWSA-N 1 1 269.373 3.004 20 30 CGEDMO CC[C@H](CC#N)[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878698708 619445894 /nfs/dbraw/zinc/44/58/94/619445894.db2.gz HPRKLTYEMPVXAF-ZWNOBZJWSA-N 1 1 287.190 3.309 20 30 CGEDMO CSc1ccc(C[NH+]2CCC(C)(C#N)CC2)o1 ZINC000894431361 619532741 /nfs/dbraw/zinc/53/27/41/619532741.db2.gz PBOLNPOMQFRTMO-UHFFFAOYSA-N 1 1 250.367 3.127 20 30 CGEDMO C[C@@]12CC[N@H+](Cc3csc(C#N)c3)C[C@@H]1C2(F)F ZINC000894580028 619581475 /nfs/dbraw/zinc/58/14/75/619581475.db2.gz HOGKMCPOOSUEFR-NWDGAFQWSA-N 1 1 268.332 3.097 20 30 CGEDMO C[C@@]12CC[N@@H+](Cc3csc(C#N)c3)C[C@@H]1C2(F)F ZINC000894580028 619581482 /nfs/dbraw/zinc/58/14/82/619581482.db2.gz HOGKMCPOOSUEFR-NWDGAFQWSA-N 1 1 268.332 3.097 20 30 CGEDMO Cc1coc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000894666631 619598640 /nfs/dbraw/zinc/59/86/40/619598640.db2.gz VHRGSIFETRYFTQ-UHFFFAOYSA-N 1 1 281.359 3.040 20 30 CGEDMO CCC1CCC([N@@H+](C)C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000049024144 619675727 /nfs/dbraw/zinc/67/57/27/619675727.db2.gz IKUCQVGWLWCOPJ-IUPXNIOVSA-N 1 1 286.419 3.492 20 30 CGEDMO C=CC[N@@H+](CCOC)Cc1ccc(CSC(F)F)o1 ZINC000191763253 619722357 /nfs/dbraw/zinc/72/23/57/619722357.db2.gz SAGKOOKVDLRRDZ-UHFFFAOYSA-N 1 1 291.363 3.370 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccc(CSC(F)F)o1 ZINC000191763253 619722367 /nfs/dbraw/zinc/72/23/67/619722367.db2.gz SAGKOOKVDLRRDZ-UHFFFAOYSA-N 1 1 291.363 3.370 20 30 CGEDMO CC(C)n1ccc(CO[NH+]=C(N)C2CCCCCC2)n1 ZINC000179005601 619734871 /nfs/dbraw/zinc/73/48/71/619734871.db2.gz HJGAOQCKABKDLL-UHFFFAOYSA-N 1 1 278.400 3.223 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195221196 619735714 /nfs/dbraw/zinc/73/57/14/619735714.db2.gz WOWWPIVIJRXKGL-INIZCTEOSA-N 1 1 282.428 3.141 20 30 CGEDMO N#CC1(C[NH2+]Cc2cc(O)cc(Cl)c2)CCCC1 ZINC000895143136 619751982 /nfs/dbraw/zinc/75/19/82/619751982.db2.gz XKLUGWHHXVMIFR-UHFFFAOYSA-N 1 1 264.756 3.219 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)c(C)c1 ZINC000895314408 619804175 /nfs/dbraw/zinc/80/41/75/619804175.db2.gz VNIIHCDSOGMQHH-AWEZNQCLSA-N 1 1 258.365 3.129 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](CF)C2)cc1 ZINC000895545144 619847032 /nfs/dbraw/zinc/84/70/32/619847032.db2.gz CPBARBHMFVFEOT-DZGCQCFKSA-N 1 1 276.355 3.159 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000895583137 619853853 /nfs/dbraw/zinc/85/38/53/619853853.db2.gz KXQCSHGMHNUWNI-OAHLLOKOSA-N 1 1 298.411 3.145 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC000895971744 619919083 /nfs/dbraw/zinc/91/90/83/619919083.db2.gz NGPAEGGXYFINHX-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO Cc1cccc2c1CC[N@@H+](Cc1ccc(C#N)cc1)C2 ZINC000148121382 620118633 /nfs/dbraw/zinc/11/86/33/620118633.db2.gz IEXMKGQQRLHALZ-UHFFFAOYSA-N 1 1 262.356 3.425 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000897101755 620144114 /nfs/dbraw/zinc/14/41/14/620144114.db2.gz TVGDLZMYQDCAIR-INIZCTEOSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)CC2(C)CCCCC2)CC1 ZINC000985531084 620206167 /nfs/dbraw/zinc/20/61/67/620206167.db2.gz CBLIFHQWVOOSAI-UHFFFAOYSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)C(C)(C)C(C)(C)C)CC1 ZINC000985570425 620213540 /nfs/dbraw/zinc/21/35/40/620213540.db2.gz FROUUBPPIHJKLK-UHFFFAOYSA-N 1 1 280.456 3.168 20 30 CGEDMO Cn1c2ccccc2[nH+]c1NCc1ccc(OCC#N)cc1 ZINC000179290014 620376643 /nfs/dbraw/zinc/37/66/43/620376643.db2.gz BTKJLCDZIDMHOY-UHFFFAOYSA-N 1 1 292.342 3.088 20 30 CGEDMO C=C(C)CN(Cc1ccccc1)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC000897612756 620409637 /nfs/dbraw/zinc/40/96/37/620409637.db2.gz FZOZMIDAJWZKAM-IBGZPJMESA-N 1 1 298.430 3.077 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)C[C@@H]2CCCC(C)(C)C2)CC1 ZINC000989483143 620513946 /nfs/dbraw/zinc/51/39/46/620513946.db2.gz NBZRYMBFQJKBDW-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)c2ccc(C3CC3)cc2)CC1 ZINC000989712747 620521747 /nfs/dbraw/zinc/52/17/47/620521747.db2.gz LGGDPPSDKKVWED-UHFFFAOYSA-N 1 1 298.430 3.288 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)c3ccccc3C)CCC[C@@H]12 ZINC000989922984 620531210 /nfs/dbraw/zinc/53/12/10/620531210.db2.gz SZMAKHXFAIDWNY-IEBWSBKVSA-N 1 1 298.430 3.298 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)c3ccccc3C)CCC[C@H]12 ZINC000989923432 620532028 /nfs/dbraw/zinc/53/20/28/620532028.db2.gz WZTKQCIYGHQHRG-HKUYNNGSSA-N 1 1 298.430 3.298 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)CC3CCC3)CCC[C@H]12 ZINC000990137772 620537029 /nfs/dbraw/zinc/53/70/29/620537029.db2.gz SYXARVOKHMPGCB-FUHWJXTLSA-N 1 1 290.451 3.256 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2c(C)oc3ccccc32)C1 ZINC001014549494 620549576 /nfs/dbraw/zinc/54/95/76/620549576.db2.gz LVEBEDARTVVAHG-AWEZNQCLSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)C3CC(C)(C)C3)CCC[C@H]12 ZINC000990545763 620553826 /nfs/dbraw/zinc/55/38/26/620553826.db2.gz QEJZLALQMBGKTJ-YJBOKZPZSA-N 1 1 290.451 3.112 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000898516150 620594981 /nfs/dbraw/zinc/59/49/81/620594981.db2.gz NBBPIRZEWHIBPC-CVEARBPZSA-N 1 1 278.440 3.455 20 30 CGEDMO C=CC[C@@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccncc1 ZINC000902318171 621240621 /nfs/dbraw/zinc/24/06/21/621240621.db2.gz NRUWEXGVMXMHII-HZPDHXFCSA-N 1 1 273.424 3.067 20 30 CGEDMO C=C(CN[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1 ZINC000902372158 621276729 /nfs/dbraw/zinc/27/67/29/621276729.db2.gz UYHTZSSHHMNWDR-MRXNPFEDSA-N 1 1 258.409 3.068 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000801924378 621387349 /nfs/dbraw/zinc/38/73/49/621387349.db2.gz OHXSPIWBIGTMTJ-CZUORRHYSA-N 1 1 276.355 3.281 20 30 CGEDMO CCc1cc(C[NH2+][C@H](CC)c2cccc(C#N)c2)on1 ZINC000902816295 621463527 /nfs/dbraw/zinc/46/35/27/621463527.db2.gz NTXFCLZKNUQHJT-MRXNPFEDSA-N 1 1 269.348 3.350 20 30 CGEDMO Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)CO2 ZINC000902879594 621481802 /nfs/dbraw/zinc/48/18/02/621481802.db2.gz WJEJBHSIUHUUKE-BLLLJJGKSA-N 1 1 279.343 3.046 20 30 CGEDMO N#CC1(C[NH2+][C@@H]2CCCc3ccc(F)cc32)CCC1 ZINC000903032224 621534883 /nfs/dbraw/zinc/53/48/83/621534883.db2.gz GNIGSDBEILYYBV-OAHLLOKOSA-N 1 1 258.340 3.487 20 30 CGEDMO N#CC1(C[NH2+][C@H]2CCCOc3ccc(F)cc32)CCC1 ZINC000903031659 621535525 /nfs/dbraw/zinc/53/55/25/621535525.db2.gz NCMROQCZLJKXHO-AWEZNQCLSA-N 1 1 274.339 3.323 20 30 CGEDMO COc1ccc2c(c1F)CC[C@@H]2[NH2+]CC1(C#N)CCC1 ZINC000903035948 621537173 /nfs/dbraw/zinc/53/71/73/621537173.db2.gz XENZIDMBNRBEDN-ZDUSSCGKSA-N 1 1 274.339 3.105 20 30 CGEDMO CC[C@@H](N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc(C#N)c1 ZINC000903047550 621554747 /nfs/dbraw/zinc/55/47/47/621554747.db2.gz PQTVFYJLHNUMLW-IAGOWNOFSA-N 1 1 285.435 3.472 20 30 CGEDMO CC[C@@H](N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1cccc(C#N)c1 ZINC000903047550 621554751 /nfs/dbraw/zinc/55/47/51/621554751.db2.gz PQTVFYJLHNUMLW-IAGOWNOFSA-N 1 1 285.435 3.472 20 30 CGEDMO C[C@@H]([NH2+]CC(C)(C)C#N)c1ccc2ccccc2n1 ZINC000903100299 621572673 /nfs/dbraw/zinc/57/26/73/621572673.db2.gz MYHNPNWASSYQAH-GFCCVEGCSA-N 1 1 253.349 3.435 20 30 CGEDMO CC(C)(C#N)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000903101836 621574288 /nfs/dbraw/zinc/57/42/88/621574288.db2.gz NKOMEHFLVMZBEL-CQSZACIVSA-N 1 1 273.336 3.112 20 30 CGEDMO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2c3ccccc3OC[C@H]2F)C1 ZINC000903270414 621656930 /nfs/dbraw/zinc/65/69/30/621656930.db2.gz DLBPPMBQSCZKDD-FIRUKDTASA-N 1 1 274.339 3.130 20 30 CGEDMO C=CCC[C@@H]([NH2+][C@@H](CCN(C)C)c1cccnc1)C1CC1 ZINC000903378880 621721628 /nfs/dbraw/zinc/72/16/28/621721628.db2.gz FCBIQYNVMGBHQF-MSOLQXFVSA-N 1 1 287.451 3.409 20 30 CGEDMO CC(C)(C)[C@]1(CN)CC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000903476239 621764329 /nfs/dbraw/zinc/76/43/29/621764329.db2.gz RJZKBFWHYLWINP-DQPZFDDXSA-N 1 1 277.456 3.013 20 30 CGEDMO CC(C)(C)[C@]1(CN)CC[N@H+](CC2CCC(C#N)CC2)C1 ZINC000903476239 621764324 /nfs/dbraw/zinc/76/43/24/621764324.db2.gz RJZKBFWHYLWINP-DQPZFDDXSA-N 1 1 277.456 3.013 20 30 CGEDMO C=CC[C@H]([NH2+]C[C@H]1CCC[C@H](C(F)(F)F)C1)C(=O)OC ZINC000905768781 622109065 /nfs/dbraw/zinc/10/90/65/622109065.db2.gz UTPBMCHTOTZLBN-SRVKXCTJSA-N 1 1 293.329 3.062 20 30 CGEDMO C=CC[N@H+](C/C=C/Cl)Cc1ccc(OC)cc1 ZINC000056291286 622854672 /nfs/dbraw/zinc/85/46/72/622854672.db2.gz PSXNUMOGLCLKDN-RUDMXATFSA-N 1 1 251.757 3.436 20 30 CGEDMO C=CC[N@@H+](C/C=C/Cl)Cc1ccc(OC)cc1 ZINC000056291286 622854675 /nfs/dbraw/zinc/85/46/75/622854675.db2.gz PSXNUMOGLCLKDN-RUDMXATFSA-N 1 1 251.757 3.436 20 30 CGEDMO C=CC[N@@H+](CCCCCCCC)[C@H]1CCS(=O)(=O)C1 ZINC000158063101 622994196 /nfs/dbraw/zinc/99/41/96/622994196.db2.gz PVSNLMDGTPDYJE-HNNXBMFYSA-N 1 1 287.469 3.022 20 30 CGEDMO C=CC[N@H+](CCCCCCCC)[C@H]1CCS(=O)(=O)C1 ZINC000158063101 622994210 /nfs/dbraw/zinc/99/42/10/622994210.db2.gz PVSNLMDGTPDYJE-HNNXBMFYSA-N 1 1 287.469 3.022 20 30 CGEDMO Cc1sc(C[NH2+]C[C@H](C)C#N)cc1Br ZINC000227827572 623031966 /nfs/dbraw/zinc/03/19/66/623031966.db2.gz CPMNDOPCBMJEQI-SSDOTTSWSA-N 1 1 273.199 3.068 20 30 CGEDMO C#C[C@@H](CC)[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000229897990 623176562 /nfs/dbraw/zinc/17/65/62/623176562.db2.gz JDQNQEIGPGCUPZ-ZDUSSCGKSA-N 1 1 274.364 3.451 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCC3(CCCC3)C2)c1 ZINC000174267125 623375796 /nfs/dbraw/zinc/37/57/96/623375796.db2.gz ROFZWITVHMMBBB-UHFFFAOYSA-N 1 1 258.340 3.463 20 30 CGEDMO C=C1CCC(C(=O)N[C@]23CCC[C@@H]2[N@@H+](C(C)C)CC3)CC1 ZINC000992153605 623452664 /nfs/dbraw/zinc/45/26/64/623452664.db2.gz PNBGMWJJRYXSJQ-WMZOPIPTSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C1CCC(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CCC)CC3)CC1 ZINC000992156103 623453951 /nfs/dbraw/zinc/45/39/51/623453951.db2.gz VENHXYJYCOIZQQ-WMZOPIPTSA-N 1 1 290.451 3.256 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3ccccc3CC)CCC[C@@H]12 ZINC000992159884 623454464 /nfs/dbraw/zinc/45/44/64/623454464.db2.gz MSQNEDDHLYOOCT-IEBWSBKVSA-N 1 1 298.430 3.162 20 30 CGEDMO COC[C@@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000929637397 623491334 /nfs/dbraw/zinc/49/13/34/623491334.db2.gz BIZSEICVVFPWLI-OAHLLOKOSA-N 1 1 264.413 3.209 20 30 CGEDMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1cncc(C#N)c1 ZINC000929653863 623495958 /nfs/dbraw/zinc/49/59/58/623495958.db2.gz HSLRMKOQWQMTFM-KSSFIOAISA-N 1 1 277.371 3.331 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[NH2+]C1CC(F)(F)C1 ZINC000758597026 623509864 /nfs/dbraw/zinc/50/98/64/623509864.db2.gz AANHZUUNVLWYBN-UHFFFAOYSA-N 1 1 285.721 3.239 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)c3ccc(C)cc3)CCC[C@H]12 ZINC000992420047 623551255 /nfs/dbraw/zinc/55/12/55/623551255.db2.gz HFCHSUPJNIVDNJ-HKUYNNGSSA-N 1 1 298.430 3.298 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2)[C@@H]1C ZINC000992985074 623768531 /nfs/dbraw/zinc/76/85/31/623768531.db2.gz WJGUMHIIODYXPR-RDJZCZTQSA-N 1 1 286.419 3.236 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C2C(C)(C)C2(C)C)[C@@H]1C ZINC000993186349 623909541 /nfs/dbraw/zinc/90/95/41/623909541.db2.gz PJGDXMBCRRIDPD-KBPBESRZSA-N 1 1 292.467 3.214 20 30 CGEDMO CCCCCCCCC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000915634457 624015030 /nfs/dbraw/zinc/01/50/30/624015030.db2.gz YPMMOGWLDRCFHV-HZPDHXFCSA-N 1 1 280.456 3.480 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC)o2)[C@@H]1C ZINC000993483422 624053878 /nfs/dbraw/zinc/05/38/78/624053878.db2.gz JEAWBLJSILWSSL-ZFWWWQNUSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C2(C)CCCC2)[C@@H]1C ZINC000993618424 624055632 /nfs/dbraw/zinc/05/56/32/624055632.db2.gz ADMYZFZUUNWDJQ-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)co2)[C@@H]1C ZINC000993710689 624056988 /nfs/dbraw/zinc/05/69/88/624056988.db2.gz VFAOAGPFWCGUHU-GJZGRUSLSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C2CC2)[C@@H]1C ZINC000993713177 624059147 /nfs/dbraw/zinc/05/91/47/624059147.db2.gz CEIHUBRSLZEMDA-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CC2CC(C)(C)C2)[C@H]1C ZINC000993748092 624060500 /nfs/dbraw/zinc/06/05/00/624060500.db2.gz SXXBJHVPQNPAKD-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCF)[C@H]2C)CC1 ZINC000993737826 624060787 /nfs/dbraw/zinc/06/07/87/624060787.db2.gz BRKXGIDLSGMXLT-HOCLYGCPSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C=C)cc2)[C@@H]1C ZINC000993853691 624065425 /nfs/dbraw/zinc/06/54/25/624065425.db2.gz AGHKEVLMAALBEU-YOEHRIQHSA-N 1 1 284.403 3.098 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccsc2Cl)[C@@H]1C ZINC000993945297 624067466 /nfs/dbraw/zinc/06/74/66/624067466.db2.gz XXIJABXOYGCASY-JQWIXIFHSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccsc2Cl)[C@H]1C ZINC000993945300 624067730 /nfs/dbraw/zinc/06/77/30/624067730.db2.gz XXIJABXOYGCASY-ZYHUDNBSSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](O)c1ccccc1Br ZINC000153980972 624157939 /nfs/dbraw/zinc/15/79/39/624157939.db2.gz MSQISYWLZMBLTI-CQSZACIVSA-N 1 1 298.224 3.381 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@H]1C ZINC000994256418 624158192 /nfs/dbraw/zinc/15/81/92/624158192.db2.gz XTCHSEIWFNVYHL-QBPKDAKJSA-N 1 1 292.467 3.358 20 30 CGEDMO N#CCCC[N@@H+]1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000916977057 624224823 /nfs/dbraw/zinc/22/48/23/624224823.db2.gz HYJKSZXHUCNETP-CQSZACIVSA-N 1 1 278.783 3.487 20 30 CGEDMO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)[NH2+]Cc1ccc(C#N)cc1 ZINC000237558575 624657900 /nfs/dbraw/zinc/65/79/00/624657900.db2.gz PQXMOOQYNMYPPW-OAGGEKHMSA-N 1 1 285.435 3.014 20 30 CGEDMO C=CCCC[N@H+](C)CCC(=O)OCc1ccccc1 ZINC000181461698 624862640 /nfs/dbraw/zinc/86/26/40/624862640.db2.gz LPLDWMLQJGYBTR-UHFFFAOYSA-N 1 1 261.365 3.018 20 30 CGEDMO CCCc1[nH+]ccn1CCCOc1ccc(C#N)cc1 ZINC000070424532 625005149 /nfs/dbraw/zinc/00/51/49/625005149.db2.gz JFLSLCXACYDTQW-UHFFFAOYSA-N 1 1 269.348 3.176 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(C)c2Cl)C1 ZINC001015870468 625158608 /nfs/dbraw/zinc/15/86/08/625158608.db2.gz JRSUMKPVWVERED-ZDUSSCGKSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](N(CC)C(=O)C2CC2)CC1 ZINC000997892371 625762081 /nfs/dbraw/zinc/76/20/81/625762081.db2.gz BOYUNEQMIUZEEA-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(CC)C(=O)C2CC=CC2)CC1 ZINC000997974472 625779075 /nfs/dbraw/zinc/77/90/75/625779075.db2.gz FTSHTWRVYZUOBR-QGZVFWFLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC2(C)C)CC1 ZINC000997976403 625779675 /nfs/dbraw/zinc/77/96/75/625779675.db2.gz MTYVRPYEUQLZIT-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO N#Cc1cc(C[NH2+][C@@H]2CCOc3ccc(F)cc32)cs1 ZINC000921718822 625853538 /nfs/dbraw/zinc/85/35/38/625853538.db2.gz MVANITQLHLUMNP-CQSZACIVSA-N 1 1 288.347 3.372 20 30 CGEDMO CCc1cc(C[NH2+]Cc2c(C)cc(C#N)cc2C)on1 ZINC000921770201 625870896 /nfs/dbraw/zinc/87/08/96/625870896.db2.gz HRCPHUUVJYZREV-UHFFFAOYSA-N 1 1 269.348 3.015 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)c2ccccc2CCC)CC1 ZINC001000937063 625883997 /nfs/dbraw/zinc/88/39/97/625883997.db2.gz VQOZVRGPLMFPGF-UHFFFAOYSA-N 1 1 298.430 3.187 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[C@H]2CC)CC1 ZINC001001117046 625890490 /nfs/dbraw/zinc/89/04/90/625890490.db2.gz SZVJWBMSELGNMT-SJORKVTESA-N 1 1 290.451 3.137 20 30 CGEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC001016345403 625968779 /nfs/dbraw/zinc/96/87/79/625968779.db2.gz KCTFKFGDWDKHLJ-CRAIPNDOSA-N 1 1 298.430 3.028 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC001016345403 625968780 /nfs/dbraw/zinc/96/87/80/625968780.db2.gz KCTFKFGDWDKHLJ-CRAIPNDOSA-N 1 1 298.430 3.028 20 30 CGEDMO C=C1CCC(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000922709641 626035656 /nfs/dbraw/zinc/03/56/56/626035656.db2.gz CLFSIOJOJJYMQP-OAHLLOKOSA-N 1 1 250.430 3.195 20 30 CGEDMO C=C1CCC(C[NH2+][C@@H]2CCN(C)C(C)(C)C2)CC1 ZINC000922709641 626035657 /nfs/dbraw/zinc/03/56/57/626035657.db2.gz CLFSIOJOJJYMQP-OAHLLOKOSA-N 1 1 250.430 3.195 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC(C)C)CC1 ZINC001004320780 626037943 /nfs/dbraw/zinc/03/79/43/626037943.db2.gz LIAOXRCJVKRMPS-QGZVFWFLSA-N 1 1 292.467 3.312 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H](COC(=O)CCCCCC#N)C1 ZINC000842830578 626227488 /nfs/dbraw/zinc/22/74/88/626227488.db2.gz NSMIPBVZGCAMHH-OAHLLOKOSA-N 1 1 280.412 3.124 20 30 CGEDMO Cc1cc(F)ccc1N=NC1C[N@@H+](C2CC2)C[C@@H]1C ZINC000750938375 626369884 /nfs/dbraw/zinc/36/98/84/626369884.db2.gz GRTQSBYAUGRYNG-NSHDSACASA-N 1 1 261.344 3.016 20 30 CGEDMO CC#CC[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000751559689 626396059 /nfs/dbraw/zinc/39/60/59/626396059.db2.gz ZHTFETOVZGTMFT-QZTJIDSGSA-N 1 1 271.404 3.378 20 30 CGEDMO Cc1[nH+]ccn1CCON=C(c1ccccc1)C(F)(F)F ZINC000751966615 626413450 /nfs/dbraw/zinc/41/34/50/626413450.db2.gz ZMTFJUAVLHELQW-UHFFFAOYSA-N 1 1 297.280 3.175 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CC[C@@H]2Cc2ccccc2)cc1 ZINC000752313823 626425229 /nfs/dbraw/zinc/42/52/29/626425229.db2.gz HAHBEKBUUQYPNQ-GOSISDBHSA-N 1 1 292.382 3.406 20 30 CGEDMO CC(C)[N@@H+]1CC(N=Nc2cc(F)c(F)c(F)c2)[C@@H](C)C1 ZINC000754258508 626565357 /nfs/dbraw/zinc/56/53/57/626565357.db2.gz KWZSALPDOFAGJA-VIFPVBQESA-N 1 1 285.313 3.232 20 30 CGEDMO N#CCC[NH2+]Cc1ccc(OCc2ccccc2F)cc1 ZINC000754822216 626588984 /nfs/dbraw/zinc/58/89/84/626588984.db2.gz HZPXVXYMEJVYEW-UHFFFAOYSA-N 1 1 284.334 3.408 20 30 CGEDMO COc1ccc(O)c(/C=N/[C@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000756841458 626736670 /nfs/dbraw/zinc/73/66/70/626736670.db2.gz VCFVNNORHHQLLT-AEUYPJEVSA-N 1 1 296.370 3.006 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC000757101525 626754795 /nfs/dbraw/zinc/75/47/95/626754795.db2.gz ICWDCSXEKOPOOX-KBPBESRZSA-N 1 1 282.428 3.188 20 30 CGEDMO C[C@@H]1C[C@@H](/N=C\c2ccccc2O)C[N@H+]1Cc1ccccc1 ZINC000757524712 626785431 /nfs/dbraw/zinc/78/54/31/626785431.db2.gz BKJNLFRMMKEYTI-QFYWSZHYSA-N 1 1 294.398 3.474 20 30 CGEDMO CCC1CCC([N@@H+](Cn2cccc(C#N)c2=O)C2CC2)CC1 ZINC000758208185 626833293 /nfs/dbraw/zinc/83/32/93/626833293.db2.gz WHTVNCLTMIPBQZ-UHFFFAOYSA-N 1 1 299.418 3.111 20 30 CGEDMO C#CCCCC(=O)O[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000759632120 626910686 /nfs/dbraw/zinc/91/06/86/626910686.db2.gz RBOXBYCFPHAHCZ-WMZOPIPTSA-N 1 1 299.414 3.244 20 30 CGEDMO C#CCC[N@H+](CC)Cc1cc(Br)ccc1F ZINC000760817836 626993927 /nfs/dbraw/zinc/99/39/27/626993927.db2.gz CEZIBUZEMOXWBP-UHFFFAOYSA-N 1 1 284.172 3.433 20 30 CGEDMO C#CCC[N@H+](CCc1ccc(C)cc1)C[C@H]1CCCO1 ZINC000760840915 626995676 /nfs/dbraw/zinc/99/56/76/626995676.db2.gz JOGKPUVEGQZMJP-GOSISDBHSA-N 1 1 271.404 3.042 20 30 CGEDMO C=CCc1cc(C[N@H+]2CC[C@H](C3CC3)C2)c(O)c(OC)c1 ZINC000763331865 627151814 /nfs/dbraw/zinc/15/18/14/627151814.db2.gz JTAKQCBGKJMKMN-HNNXBMFYSA-N 1 1 287.403 3.361 20 30 CGEDMO CCC(CC)[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000763405411 627156408 /nfs/dbraw/zinc/15/64/08/627156408.db2.gz AOKRRTAFGREOPH-KRWDZBQOSA-N 1 1 272.392 3.245 20 30 CGEDMO C#CCNC(=O)C[N@@H+]1CCCC[C@H]1c1ccc(C(C)C)cc1 ZINC000764461246 627208338 /nfs/dbraw/zinc/20/83/38/627208338.db2.gz ZLXBAZQOZDMKRU-SFHVURJKSA-N 1 1 298.430 3.086 20 30 CGEDMO C#CCNC(=O)C[N@@H+]1CCCC[C@@H]1c1ccc(C(C)C)cc1 ZINC000764461244 627208355 /nfs/dbraw/zinc/20/83/55/627208355.db2.gz ZLXBAZQOZDMKRU-GOSISDBHSA-N 1 1 298.430 3.086 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OCCC)c(OC)c1)C1CC1 ZINC000764677709 627217819 /nfs/dbraw/zinc/21/78/19/627217819.db2.gz RTDCQQOUNPPUEN-UHFFFAOYSA-N 1 1 273.376 3.082 20 30 CGEDMO C#CC[N@H+](Cc1cc2cccc(OC)c2o1)C1CC1 ZINC000764683045 627218026 /nfs/dbraw/zinc/21/80/26/627218026.db2.gz NOKCXCGGEWNLLL-UHFFFAOYSA-N 1 1 255.317 3.039 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000765028434 627237061 /nfs/dbraw/zinc/23/70/61/627237061.db2.gz AXECAVHFRNWCNZ-QGZVFWFLSA-N 1 1 294.439 3.286 20 30 CGEDMO C#CCOc1ccc([C@H](C)[NH2+]Cc2cc(CC)no2)cc1 ZINC000766137466 627298786 /nfs/dbraw/zinc/29/87/86/627298786.db2.gz YSSRGDOBECIBDX-ZDUSSCGKSA-N 1 1 284.359 3.100 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cn1c2ccccc2nc1SC(F)F ZINC000766662585 627351044 /nfs/dbraw/zinc/35/10/44/627351044.db2.gz HOCXOQBFZCSZAX-JTQLQIEISA-N 1 1 295.358 3.262 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1c(O)ccc2ccc(OC)cc21 ZINC000766665477 627351692 /nfs/dbraw/zinc/35/16/92/627351692.db2.gz HCWGIPAQCAEEFG-LBPRGKRZSA-N 1 1 269.344 3.008 20 30 CGEDMO C#CCCC[N@@H+]1CCCC[C@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000766896140 627367478 /nfs/dbraw/zinc/36/74/78/627367478.db2.gz QHUKMKMBLVSJDQ-GJZGRUSLSA-N 1 1 294.439 3.168 20 30 CGEDMO C#CCCC[N@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000766905877 627369447 /nfs/dbraw/zinc/36/94/47/627369447.db2.gz MMIFSWWNDSLBTI-SFHVURJKSA-N 1 1 271.404 3.162 20 30 CGEDMO C#CCC[N@H+]1Cc2cc(Br)ccc2C[C@@H]1C ZINC000767065819 627379866 /nfs/dbraw/zinc/37/98/66/627379866.db2.gz MRXYMCHKUXKNDR-NSHDSACASA-N 1 1 278.193 3.219 20 30 CGEDMO C#CCC[N@@H+]1Cc2cc(Br)ccc2C[C@@H]1C ZINC000767065819 627379869 /nfs/dbraw/zinc/37/98/69/627379869.db2.gz MRXYMCHKUXKNDR-NSHDSACASA-N 1 1 278.193 3.219 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)OC[C@H]1CCC[N@H+]1Cc1ccco1 ZINC000768003076 627449191 /nfs/dbraw/zinc/44/91/91/627449191.db2.gz NARYZVUDKUYPLK-LSDHHAIUSA-N 1 1 291.391 3.390 20 30 CGEDMO CC(=O)Nc1ccccc1C[N@@H+](CCC#N)CC(C)C ZINC000768153820 627463729 /nfs/dbraw/zinc/46/37/29/627463729.db2.gz LCPXIZOWOVGSDR-UHFFFAOYSA-N 1 1 273.380 3.017 20 30 CGEDMO CC(=O)Nc1ccccc1C[N@H+](CCC#N)CC(C)C ZINC000768153820 627463732 /nfs/dbraw/zinc/46/37/32/627463732.db2.gz LCPXIZOWOVGSDR-UHFFFAOYSA-N 1 1 273.380 3.017 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc(N(C)CCC#N)cc1 ZINC000768155276 627464390 /nfs/dbraw/zinc/46/43/90/627464390.db2.gz XWKXAEAYPNPUDN-UHFFFAOYSA-N 1 1 298.434 3.408 20 30 CGEDMO CCCNN=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000768359310 627475815 /nfs/dbraw/zinc/47/58/15/627475815.db2.gz CKYQKHKVOMWYQY-CALCHBBNSA-N 1 1 271.408 3.169 20 30 CGEDMO C=CC[N@@H+](Cc1c(Cl)n(C)nc1CC)C(C)C ZINC000768547853 627485958 /nfs/dbraw/zinc/48/59/58/627485958.db2.gz SDIDPCYHBQNXCC-UHFFFAOYSA-N 1 1 255.793 3.032 20 30 CGEDMO C=CC[N@H+](Cc1c(Cl)n(C)nc1CC)C(C)C ZINC000768547853 627485960 /nfs/dbraw/zinc/48/59/60/627485960.db2.gz SDIDPCYHBQNXCC-UHFFFAOYSA-N 1 1 255.793 3.032 20 30 CGEDMO C=CC[N@H+](Cc1cc2c(cc1OC)C[C@@H](C)O2)C(C)C ZINC000768546748 627486042 /nfs/dbraw/zinc/48/60/42/627486042.db2.gz DUWJAYKZZCAIGF-CYBMUJFWSA-N 1 1 275.392 3.415 20 30 CGEDMO C=CC[N@H+](Cc1cnc([C@H]2CCCO2)s1)C(C)C ZINC000768548233 627486148 /nfs/dbraw/zinc/48/61/48/627486148.db2.gz YNQKNHOSOGFHCE-CYBMUJFWSA-N 1 1 266.410 3.391 20 30 CGEDMO C=CC[N@@H+](Cc1cnc([C@H]2CCCO2)s1)C(C)C ZINC000768548233 627486152 /nfs/dbraw/zinc/48/61/52/627486152.db2.gz YNQKNHOSOGFHCE-CYBMUJFWSA-N 1 1 266.410 3.391 20 30 CGEDMO C#CCOc1ccccc1C[N@H+](CCOC)C1CCCC1 ZINC000768581099 627487891 /nfs/dbraw/zinc/48/78/91/627487891.db2.gz KMHUQPRYPWTXJQ-UHFFFAOYSA-N 1 1 287.403 3.090 20 30 CGEDMO CCCCCCCCC(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000768845888 627503422 /nfs/dbraw/zinc/50/34/22/627503422.db2.gz JCRLFFKQXQKRHN-HUUCEWRRSA-N 1 1 268.445 3.288 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+](C)Cc2ccoc2)cc1 ZINC000769006604 627515984 /nfs/dbraw/zinc/51/59/84/627515984.db2.gz WSZPFKKFGLVODW-UHFFFAOYSA-N 1 1 269.344 3.314 20 30 CGEDMO C#CC[N@@H+](CC)Cc1cc(Cl)cc(Cl)c1OC ZINC000769112185 627523036 /nfs/dbraw/zinc/52/30/36/627523036.db2.gz ZCBXHCYZDAWYTD-UHFFFAOYSA-N 1 1 272.175 3.457 20 30 CGEDMO C#CC[N@H+](CC)Cc1cc(Cl)cc(Cl)c1OC ZINC000769112185 627523039 /nfs/dbraw/zinc/52/30/39/627523039.db2.gz ZCBXHCYZDAWYTD-UHFFFAOYSA-N 1 1 272.175 3.457 20 30 CGEDMO Cc1c(C[N@@H+](C)[C@@H](C)CC#N)sc2nc(C)nc(C)c12 ZINC000769334811 627543308 /nfs/dbraw/zinc/54/33/08/627543308.db2.gz RFRWAMFCTBZVRO-VIFPVBQESA-N 1 1 288.420 3.351 20 30 CGEDMO Cc1c(C[N@H+](C)[C@@H](C)CC#N)sc2nc(C)nc(C)c12 ZINC000769334811 627543309 /nfs/dbraw/zinc/54/33/09/627543309.db2.gz RFRWAMFCTBZVRO-VIFPVBQESA-N 1 1 288.420 3.351 20 30 CGEDMO C#CCCOc1ccc(CNc2[nH+]c(C)ccc2OC)cc1 ZINC000769406531 627549551 /nfs/dbraw/zinc/54/95/51/627549551.db2.gz AGIDEWMECLPJEH-UHFFFAOYSA-N 1 1 296.370 3.413 20 30 CGEDMO C#CCOc1ccc(C[N@H+](C)[C@@H](C)CCSC)cc1 ZINC000769464221 627555456 /nfs/dbraw/zinc/55/54/56/627555456.db2.gz XBMSBHAPFXSYBK-AWEZNQCLSA-N 1 1 277.433 3.272 20 30 CGEDMO C[C@H](C#N)C[N@H+](Cc1ccc(O[C@@H](C)C#N)cc1)C1CC1 ZINC000769545246 627564458 /nfs/dbraw/zinc/56/44/58/627564458.db2.gz NDEKEMKTTNHXPA-KGLIPLIRSA-N 1 1 283.375 3.102 20 30 CGEDMO C[C@H](C#N)C[N@@H+](Cc1ccc(O[C@@H](C)C#N)cc1)C1CC1 ZINC000769545246 627564459 /nfs/dbraw/zinc/56/44/59/627564459.db2.gz NDEKEMKTTNHXPA-KGLIPLIRSA-N 1 1 283.375 3.102 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)CCCOc1cccc(Cl)c1 ZINC000769954969 627592011 /nfs/dbraw/zinc/59/20/11/627592011.db2.gz ZDNNFZCCWLQXGP-GFCCVEGCSA-N 1 1 251.757 3.062 20 30 CGEDMO C=CC[C@H]1[N@@H+](C/C=C(/C)C(=O)OC)CCCC1(C)C ZINC000769953158 627592243 /nfs/dbraw/zinc/59/22/43/627592243.db2.gz JAACGSUXIKIVMP-RNQWEJQRSA-N 1 1 265.397 3.172 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+]1CCCC[C@@H](SC)C1 ZINC000770350941 627614149 /nfs/dbraw/zinc/61/41/49/627614149.db2.gz QTEIIAAQYZPRPH-MRXNPFEDSA-N 1 1 289.444 3.416 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCCC3(CC3)C2)cc1 ZINC000770674730 627636595 /nfs/dbraw/zinc/63/65/95/627636595.db2.gz LPZLVHAOCLHVJZ-UHFFFAOYSA-N 1 1 255.361 3.075 20 30 CGEDMO CCCCCCCC(=O)OCCn1cc[nH+]c1C ZINC000771920657 627745002 /nfs/dbraw/zinc/74/50/02/627745002.db2.gz ZZZJCKDVTZYNNY-UHFFFAOYSA-N 1 1 252.358 3.095 20 30 CGEDMO C=CC[N@H+](C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000772381914 627788709 /nfs/dbraw/zinc/78/87/09/627788709.db2.gz OHEHKJTZOGZDJV-CQSZACIVSA-N 1 1 294.439 3.284 20 30 CGEDMO CC[C@H](NCC[N@@H+]1CCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000774207052 627963327 /nfs/dbraw/zinc/96/33/27/627963327.db2.gz FQMNHLUADMHLSI-YOEHRIQHSA-N 1 1 271.408 3.083 20 30 CGEDMO CC[C@H](NCC[N@H+]1CCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000774207052 627963331 /nfs/dbraw/zinc/96/33/31/627963331.db2.gz FQMNHLUADMHLSI-YOEHRIQHSA-N 1 1 271.408 3.083 20 30 CGEDMO c1ccc2c(c1)NCCCC2=[NH+]OCc1cccnc1 ZINC000774393899 627984918 /nfs/dbraw/zinc/98/49/18/627984918.db2.gz KLPJHUHMCAQZRV-UHFFFAOYSA-N 1 1 267.332 3.208 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1OC ZINC000775182574 628069683 /nfs/dbraw/zinc/06/96/83/628069683.db2.gz DNICOBZDFJETLU-SECBINFHSA-N 1 1 272.175 3.456 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1cc(Cl)cc(Cl)c1OC ZINC000775182574 628069688 /nfs/dbraw/zinc/06/96/88/628069688.db2.gz DNICOBZDFJETLU-SECBINFHSA-N 1 1 272.175 3.456 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000775179976 628069790 /nfs/dbraw/zinc/06/97/90/628069790.db2.gz UCUUBVKNHDKRSK-GFCCVEGCSA-N 1 1 260.337 3.172 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000775182549 628069850 /nfs/dbraw/zinc/06/98/50/628069850.db2.gz CBUJWSXILOSIKM-GFCCVEGCSA-N 1 1 284.315 3.308 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)CCCCC1 ZINC000874826436 634627847 /nfs/dbraw/zinc/62/78/47/634627847.db2.gz OBSCJMGYFGNARJ-HOTGVXAUSA-N 1 1 290.451 3.208 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1ccc(-c2ccc(F)cc2)o1)[C@@H]1CCCO1 ZINC000775339214 628083452 /nfs/dbraw/zinc/08/34/52/628083452.db2.gz ATUNMAJUKWSTQB-AEFFLSMTSA-N 1 1 299.345 3.356 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1ccc(Oc2ccccc2)o1)[C@@H]1CCCO1 ZINC000775339944 628083907 /nfs/dbraw/zinc/08/39/07/628083907.db2.gz DUHRSQHISCEHDU-SJORKVTESA-N 1 1 297.354 3.342 20 30 CGEDMO Cc1cc(Cl)cc(C[N@@H+](CCC#N)C(C)C)c1O ZINC000775654625 628119762 /nfs/dbraw/zinc/11/97/62/628119762.db2.gz NDQVLFFTHKJIQJ-UHFFFAOYSA-N 1 1 266.772 3.478 20 30 CGEDMO Cc1cc(Cl)cc(C[N@H+](CCC#N)C(C)C)c1O ZINC000775654625 628119766 /nfs/dbraw/zinc/11/97/66/628119766.db2.gz NDQVLFFTHKJIQJ-UHFFFAOYSA-N 1 1 266.772 3.478 20 30 CGEDMO N#CC1(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)CC1 ZINC000775977257 628155144 /nfs/dbraw/zinc/15/51/44/628155144.db2.gz YMTHAFXPNMNICW-GJZGRUSLSA-N 1 1 288.391 3.251 20 30 CGEDMO C[C@H](CN[C@H](C)c1ccc(C#N)c(F)c1)[NH+]1CCCCC1 ZINC000776729450 628227798 /nfs/dbraw/zinc/22/77/98/628227798.db2.gz LWEACJBURITMCL-ZIAGYGMSSA-N 1 1 289.398 3.222 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000777730704 628297186 /nfs/dbraw/zinc/29/71/86/628297186.db2.gz NSGVAJJWEHJJFL-PBHICJAKSA-N 1 1 277.383 3.464 20 30 CGEDMO CCCCNN=C(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779771716 628428516 /nfs/dbraw/zinc/42/85/16/628428516.db2.gz DDIVWHAWAWKPAK-KRWDZBQOSA-N 1 1 273.424 3.274 20 30 CGEDMO CC(=NNC1=[NH+]C[C@@H](C)N1)c1ccc(-c2cccs2)cc1 ZINC000779803043 628433066 /nfs/dbraw/zinc/43/30/66/628433066.db2.gz MUURDSMUUCKPCA-LLVKDONJSA-N 1 1 298.415 3.076 20 30 CGEDMO Cc1ccc(-c2ncc(C=NNc3cc[nH+]cc3)s2)cc1 ZINC000779809296 628433462 /nfs/dbraw/zinc/43/34/62/628433462.db2.gz OAKDOGCHDJOKCO-UHFFFAOYSA-N 1 1 294.383 3.381 20 30 CGEDMO Clc1ccc2c(c1)C(=NNc1cc[nH+]cc1)CCC2 ZINC000779809315 628433504 /nfs/dbraw/zinc/43/35/04/628433504.db2.gz WORLDZFGDKOJRB-UHFFFAOYSA-N 1 1 271.751 3.309 20 30 CGEDMO CC(=NNc1cc[nH+]cc1)c1cc2ccccc2o1 ZINC000779808933 628433552 /nfs/dbraw/zinc/43/35/52/628433552.db2.gz QBVCVMBVYXGJRF-UHFFFAOYSA-N 1 1 251.289 3.086 20 30 CGEDMO CC(=NNc1cc[nH+]cc1)c1cccc2ccccc21 ZINC000779809702 628434192 /nfs/dbraw/zinc/43/41/92/628434192.db2.gz SPTQLZVLIDISHK-UHFFFAOYSA-N 1 1 261.328 3.493 20 30 CGEDMO CC(=[NH+][N-]c1cc[nH+]cc1)c1ccc(N2CCCCC2)cc1 ZINC000779812049 628434544 /nfs/dbraw/zinc/43/45/44/628434544.db2.gz XNACVZAZFYQBMJ-UHFFFAOYSA-N 1 1 294.402 3.330 20 30 CGEDMO C#CC[N@@H+](Cc1csc(Br)c1)C1CC1 ZINC000125224424 634658596 /nfs/dbraw/zinc/65/85/96/634658596.db2.gz DIQAEOWDMLPQPL-UHFFFAOYSA-N 1 1 270.195 3.108 20 30 CGEDMO C#CC[N@H+](Cc1csc(Br)c1)C1CC1 ZINC000125224424 634658604 /nfs/dbraw/zinc/65/86/04/634658604.db2.gz DIQAEOWDMLPQPL-UHFFFAOYSA-N 1 1 270.195 3.108 20 30 CGEDMO CCOCOc1ccc(C[N@H+](CCC#N)CC(C)C)cc1 ZINC000783380626 628706428 /nfs/dbraw/zinc/70/64/28/628706428.db2.gz JBBUSHDIOKNNKG-UHFFFAOYSA-N 1 1 290.407 3.431 20 30 CGEDMO CCOCOc1ccc(C[N@@H+](CCC#N)CC(C)C)cc1 ZINC000783380626 628706430 /nfs/dbraw/zinc/70/64/30/628706430.db2.gz JBBUSHDIOKNNKG-UHFFFAOYSA-N 1 1 290.407 3.431 20 30 CGEDMO CCOCOc1ccc(C[N@H+](CCC#N)CC2CC2)cc1 ZINC000783457731 628715214 /nfs/dbraw/zinc/71/52/14/628715214.db2.gz UFQOEUAPTBEDJW-UHFFFAOYSA-N 1 1 288.391 3.185 20 30 CGEDMO CCOCOc1ccc(C[N@@H+](CCC#N)CC2CC2)cc1 ZINC000783457731 628715217 /nfs/dbraw/zinc/71/52/17/628715217.db2.gz UFQOEUAPTBEDJW-UHFFFAOYSA-N 1 1 288.391 3.185 20 30 CGEDMO C#CC[N@@H+](CCCCCOc1ccccc1)C1CC1 ZINC000783677703 628738398 /nfs/dbraw/zinc/73/83/98/628738398.db2.gz YEYFXEUZRHBDLK-UHFFFAOYSA-N 1 1 257.377 3.333 20 30 CGEDMO CCCC(N)=[NH+]OCc1ccc(C#N)cc1Cl ZINC000783984341 628762888 /nfs/dbraw/zinc/76/28/88/628762888.db2.gz KTXLJQCKPPVXJI-UHFFFAOYSA-N 1 1 251.717 3.010 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1cccc(Cl)c1 ZINC000785996538 628906487 /nfs/dbraw/zinc/90/64/87/628906487.db2.gz DGEPXSQXLINAGU-HUUCEWRRSA-N 1 1 265.784 3.414 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1c2ccccc2oc1C(=O)OCC ZINC000788001133 629039452 /nfs/dbraw/zinc/03/94/52/629039452.db2.gz ZLGFKLFKBOMWKN-UHFFFAOYSA-N 1 1 299.370 3.453 20 30 CGEDMO COc1cc(N=NC2C[N@H+](C(C)C)C[C@H]2C)ccc1Cl ZINC000788472029 629056929 /nfs/dbraw/zinc/05/69/29/629056929.db2.gz OKLUHAPRBHLWHX-LLVKDONJSA-N 1 1 295.814 3.477 20 30 CGEDMO CCN(C)c1ccc(C=[NH+]Nc2cccc(C)c2)cn1 ZINC000790141243 629186149 /nfs/dbraw/zinc/18/61/49/629186149.db2.gz AZJBLOPAOYFFOD-UHFFFAOYSA-N 1 1 268.364 3.292 20 30 CGEDMO C=CC[N@@H+](Cc1ccnn1-c1ccccc1)C(C)C ZINC000790900997 629240309 /nfs/dbraw/zinc/24/03/09/629240309.db2.gz BYPGWAWSHLWPGS-UHFFFAOYSA-N 1 1 255.365 3.269 20 30 CGEDMO C=C(C)C[N@H+](C/C=C(/C)C(=O)OC)Cc1ccccc1 ZINC000791567337 629289071 /nfs/dbraw/zinc/28/90/71/629289071.db2.gz XBMCPMCAMXCKRH-GDNBJRDFSA-N 1 1 273.376 3.184 20 30 CGEDMO C#CC[N@@H+](Cc1cnc(C)o1)[C@H]1CCc2ccccc21 ZINC000862211115 629324115 /nfs/dbraw/zinc/32/41/15/629324115.db2.gz CPFRDOWRUTWWQT-KRWDZBQOSA-N 1 1 266.344 3.106 20 30 CGEDMO C#CC[N@H+](Cc1cnc(C)o1)[C@H]1CCc2ccccc21 ZINC000862211115 629324119 /nfs/dbraw/zinc/32/41/19/629324119.db2.gz CPFRDOWRUTWWQT-KRWDZBQOSA-N 1 1 266.344 3.106 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1cc(OC)cc(C(F)(F)F)c1 ZINC000862348564 629346521 /nfs/dbraw/zinc/34/65/21/629346521.db2.gz BLXMNJKFLGSKQA-JTQLQIEISA-N 1 1 271.282 3.168 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)Cc2ccc3cc[nH]c3c2)n1 ZINC000862351473 629347423 /nfs/dbraw/zinc/34/74/23/629347423.db2.gz MCLKYYNNPLFAHQ-UHFFFAOYSA-N 1 1 292.386 3.020 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)Cc2ccc3cc[nH]c3c2)n1 ZINC000862351473 629347425 /nfs/dbraw/zinc/34/74/25/629347425.db2.gz MCLKYYNNPLFAHQ-UHFFFAOYSA-N 1 1 292.386 3.020 20 30 CGEDMO COc1ccc(C[N@H+](C)CC#Cc2ccccc2)cc1F ZINC000792198420 629348953 /nfs/dbraw/zinc/34/89/53/629348953.db2.gz LBGFPWVVSVKNOA-UHFFFAOYSA-N 1 1 283.346 3.318 20 30 CGEDMO COc1ccc(C[N@@H+](C)CC#Cc2ccccc2)cc1F ZINC000792198420 629348954 /nfs/dbraw/zinc/34/89/54/629348954.db2.gz LBGFPWVVSVKNOA-UHFFFAOYSA-N 1 1 283.346 3.318 20 30 CGEDMO C#C[C@@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(Cl)cc1 ZINC000862370656 629355469 /nfs/dbraw/zinc/35/54/69/629355469.db2.gz PQPOHVIIWKEVQK-JKSUJKDBSA-N 1 1 290.838 3.477 20 30 CGEDMO C#CCCC[N@H+]1CCO[C@H](c2ccc(CC)cc2)C1 ZINC000792361100 629357179 /nfs/dbraw/zinc/35/71/79/629357179.db2.gz KTKFEHGQHISSMX-KRWDZBQOSA-N 1 1 257.377 3.036 20 30 CGEDMO C#CCC[N@H+](CCOC)C[C@H](C)c1ccc(C)cc1 ZINC000862417410 629368654 /nfs/dbraw/zinc/36/86/54/629368654.db2.gz BVUIOYYUAVMRAY-INIZCTEOSA-N 1 1 259.393 3.070 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000862443495 629376720 /nfs/dbraw/zinc/37/67/20/629376720.db2.gz PSKVVGFFSVGKAR-CQSZACIVSA-N 1 1 250.345 3.080 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000862443337 629376856 /nfs/dbraw/zinc/37/68/56/629376856.db2.gz OIMPONPNEFSLHO-KRWDZBQOSA-N 1 1 293.414 3.334 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2nc3cc(Cl)ccc3n2C)C1 ZINC000862444880 629378569 /nfs/dbraw/zinc/37/85/69/629378569.db2.gz HXZLSTGQQJPAQG-GFCCVEGCSA-N 1 1 287.794 3.072 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(F)cc2Br)C1 ZINC000862444999 629378714 /nfs/dbraw/zinc/37/87/14/629378714.db2.gz JYCXBUWJJUZLPK-LLVKDONJSA-N 1 1 296.183 3.433 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000862445599 629379547 /nfs/dbraw/zinc/37/95/47/629379547.db2.gz XUDVLIXUFVBDPE-NSHDSACASA-N 1 1 283.293 3.272 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000862445598 629380010 /nfs/dbraw/zinc/38/00/10/629380010.db2.gz XUDVLIXUFVBDPE-LLVKDONJSA-N 1 1 283.293 3.272 20 30 CGEDMO C#CCCC[N@@H+]1CCc2ccc(Br)cc2C1 ZINC000792890810 629391405 /nfs/dbraw/zinc/39/14/05/629391405.db2.gz BASJBDASVWNVLH-UHFFFAOYSA-N 1 1 278.193 3.221 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792897399 629391536 /nfs/dbraw/zinc/39/15/36/629391536.db2.gz AWJPMBFYODUGMD-BDAKNGLRSA-N 1 1 254.588 3.255 20 30 CGEDMO C#CCCCCCC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000862628751 629418792 /nfs/dbraw/zinc/41/87/92/629418792.db2.gz JOXDQNZQPCJAAG-KRWDZBQOSA-N 1 1 290.451 3.093 20 30 CGEDMO C=CCc1cc(C[NH+]2CCC(F)(F)CC2)cc(OC)c1O ZINC000793362394 629447701 /nfs/dbraw/zinc/44/77/01/629447701.db2.gz SFXBJFZPFSEMQR-UHFFFAOYSA-N 1 1 297.345 3.360 20 30 CGEDMO c1cnn(N=C2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC000863164621 629487651 /nfs/dbraw/zinc/48/76/51/629487651.db2.gz PYPNSFZXQZTKIE-DLBZAZTESA-N 1 1 294.402 3.019 20 30 CGEDMO c1cnn(N=C2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC000863164621 629487655 /nfs/dbraw/zinc/48/76/55/629487655.db2.gz PYPNSFZXQZTKIE-DLBZAZTESA-N 1 1 294.402 3.019 20 30 CGEDMO C#CC[N@@H+](Cc1cccc(F)c1C#N)C1CCCC1 ZINC000794397888 629540439 /nfs/dbraw/zinc/54/04/39/629540439.db2.gz HUODLRABGOSPBA-UHFFFAOYSA-N 1 1 256.324 3.075 20 30 CGEDMO C#CC[N@H+](Cc1cccc(F)c1C#N)C1CCCC1 ZINC000794397888 629540440 /nfs/dbraw/zinc/54/04/40/629540440.db2.gz HUODLRABGOSPBA-UHFFFAOYSA-N 1 1 256.324 3.075 20 30 CGEDMO FCC[C@@H]1CCCC1=[NH+]n1cc(Br)cn1 ZINC000794924133 629599801 /nfs/dbraw/zinc/59/98/01/629599801.db2.gz VAEHDHFHJCIXBC-QMMMGPOBSA-N 1 1 274.137 3.009 20 30 CGEDMO CC[N@H+](Cc1ccc(O[C@@H](C)C#N)cc1)CC1CC1 ZINC000125641115 634749323 /nfs/dbraw/zinc/74/93/23/634749323.db2.gz CKRNYGMUKSOYHG-ZDUSSCGKSA-N 1 1 258.365 3.209 20 30 CGEDMO C=CCNN=C1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000794999039 629617960 /nfs/dbraw/zinc/61/79/60/629617960.db2.gz URJKOGQFGDQABA-SJORKVTESA-N 1 1 283.419 3.050 20 30 CGEDMO CO[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000864052744 629747424 /nfs/dbraw/zinc/74/74/24/629747424.db2.gz CTSMGQGZBGHLMF-PBHICJAKSA-N 1 1 284.403 3.241 20 30 CGEDMO C#CC[N@@H+](Cc1c(C)nc2ccccn21)Cc1ccccc1 ZINC000796641774 629809867 /nfs/dbraw/zinc/80/98/67/629809867.db2.gz RGPNLOPWRDMGCL-UHFFFAOYSA-N 1 1 289.382 3.278 20 30 CGEDMO C#CC[N@H+](Cc1c(C)nc2ccccn21)Cc1ccccc1 ZINC000796641774 629809869 /nfs/dbraw/zinc/80/98/69/629809869.db2.gz RGPNLOPWRDMGCL-UHFFFAOYSA-N 1 1 289.382 3.278 20 30 CGEDMO C=CCC[C@@H]([NH2+]CC(=O)NCc1ccccc1)c1ccco1 ZINC000796714376 629819082 /nfs/dbraw/zinc/81/90/82/629819082.db2.gz FMVUUTPWGJSNKN-MRXNPFEDSA-N 1 1 298.386 3.193 20 30 CGEDMO Cc1cc(C[NH2+]CC2(C#N)CC2)cc(C)c1OC(F)F ZINC000797605213 629970383 /nfs/dbraw/zinc/97/03/83/629970383.db2.gz KBUYLEVUHZFVAQ-UHFFFAOYSA-N 1 1 280.318 3.298 20 30 CGEDMO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000797878509 629995056 /nfs/dbraw/zinc/99/50/56/629995056.db2.gz YNTMUGGVRMFALA-BMIGLBTASA-N 1 1 299.773 3.256 20 30 CGEDMO CC(=[NH+]OCc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000799107038 630142825 /nfs/dbraw/zinc/14/28/25/630142825.db2.gz SRYWVXWWTHJPJU-UHFFFAOYSA-N 1 1 285.303 3.118 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCOCc1ccccc1 ZINC000799201481 630152854 /nfs/dbraw/zinc/15/28/54/630152854.db2.gz YQKXVFCKBWWSDF-UHFFFAOYSA-N 1 1 253.773 3.278 20 30 CGEDMO C=C(Cl)C[NH2+][C@H](C)c1cnn(C2CCCC2)c1 ZINC000800481066 630285031 /nfs/dbraw/zinc/28/50/31/630285031.db2.gz JARGNJZXHMVVMU-LLVKDONJSA-N 1 1 253.777 3.401 20 30 CGEDMO C=CC[N@@H+](C[C@@H]1CCN(C(=O)c2ccccc2)C1)C(C)C ZINC000801511917 630339531 /nfs/dbraw/zinc/33/95/31/630339531.db2.gz YFQBGNMPSBWHCO-INIZCTEOSA-N 1 1 286.419 3.045 20 30 CGEDMO C#CC[N@H+](C[C@H](OC)c1ccc(Cl)cc1)C1CC1 ZINC000801540806 630342400 /nfs/dbraw/zinc/34/24/00/630342400.db2.gz XZURZUYAEFVGLW-HNNXBMFYSA-N 1 1 263.768 3.125 20 30 CGEDMO CCC[N@@H+](CCO[C@H](C)C#N)CC1CCCCC1 ZINC000801916062 630365673 /nfs/dbraw/zinc/36/56/73/630365673.db2.gz QWVONTHVOOHHGW-CQSZACIVSA-N 1 1 252.402 3.207 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+](C)Cc1cccc2ccccc21 ZINC000801915183 630365827 /nfs/dbraw/zinc/36/58/27/630365827.db2.gz OILFPGSKLKWMOF-AWEZNQCLSA-N 1 1 268.360 3.200 20 30 CGEDMO CC(C)C[N@@H+](CCO[C@@H](C)C#N)Cc1ccccc1 ZINC000801916364 630365901 /nfs/dbraw/zinc/36/59/01/630365901.db2.gz WEWDTMUAGBBWFT-HNNXBMFYSA-N 1 1 260.381 3.073 20 30 CGEDMO Cc1ccc([C@@H]2CCCCC[N@@H+]2CCO[C@H](C)C#N)o1 ZINC000801922739 630366378 /nfs/dbraw/zinc/36/63/78/630366378.db2.gz OBXACBJVFGCJHG-CABCVRRESA-N 1 1 276.380 3.434 20 30 CGEDMO Cc1ccc([C@H]2CSCC[N@@H+]2CCO[C@H](C)C#N)cc1 ZINC000801921813 630366522 /nfs/dbraw/zinc/36/65/22/630366522.db2.gz NBVLATBQFLIHFC-GDBMZVCRSA-N 1 1 290.432 3.014 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000801933923 630369832 /nfs/dbraw/zinc/36/98/32/630369832.db2.gz DVEOSFMISJDWOG-DZGCQCFKSA-N 1 1 299.374 3.283 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000801933923 630369833 /nfs/dbraw/zinc/36/98/33/630369833.db2.gz DVEOSFMISJDWOG-DZGCQCFKSA-N 1 1 299.374 3.283 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000801938314 630370897 /nfs/dbraw/zinc/37/08/97/630370897.db2.gz DNXZAYYSGCJBMM-CABCVRRESA-N 1 1 290.382 3.324 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCc2ccc(C(C)(C)C)cc2C1 ZINC000801939665 630371393 /nfs/dbraw/zinc/37/13/93/630371393.db2.gz VGDLMSWTNFQJMH-AWEZNQCLSA-N 1 1 286.419 3.271 20 30 CGEDMO C=CCN1CCN(C[N@@H+]2CCC[C@H]2c2ccccc2C)C1=O ZINC000839970517 630399381 /nfs/dbraw/zinc/39/93/81/630399381.db2.gz UCGAQYJQWWCIIH-KRWDZBQOSA-N 1 1 299.418 3.013 20 30 CGEDMO C#CC[C@H](NC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000807163144 630584209 /nfs/dbraw/zinc/58/42/09/630584209.db2.gz KXSXXHGHLQMRQM-ROUUACIJSA-N 1 1 298.430 3.132 20 30 CGEDMO C#CC[N@H+](CCC(=O)C(C)C)[C@H]1CCc2ccccc21 ZINC000808711936 630669124 /nfs/dbraw/zinc/66/91/24/630669124.db2.gz WWEVWMSBSLUXOY-KRWDZBQOSA-N 1 1 269.388 3.224 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)Cc2ccc([S@](C)=O)cc2)cc1 ZINC000809584331 630754902 /nfs/dbraw/zinc/75/49/02/630754902.db2.gz XHULTRKPUVWBDP-NRFANRHFSA-N 1 1 297.423 3.037 20 30 CGEDMO C#Cc1ccc(C[NH2+][C@H](COC)c2ccc(C)o2)cc1 ZINC000809625679 630766994 /nfs/dbraw/zinc/76/69/94/630766994.db2.gz OGAQQQYLWJXKHN-MRXNPFEDSA-N 1 1 269.344 3.047 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC[C@H](OCC3CC3)C2)cc1 ZINC000809645167 630773537 /nfs/dbraw/zinc/77/35/37/630773537.db2.gz RMYGROKWVLEAIT-SFHVURJKSA-N 1 1 269.388 3.059 20 30 CGEDMO C#C[C@H]([NH2+]Cc1cc(C)cc(Br)c1O)C(C)C ZINC000809685877 630782115 /nfs/dbraw/zinc/78/21/15/630782115.db2.gz XFXIPKKZZISKDY-ZDUSSCGKSA-N 1 1 296.208 3.211 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2)cc1 ZINC000809729019 630793116 /nfs/dbraw/zinc/79/31/16/630793116.db2.gz OMRYAUFYMZPTLM-GOSISDBHSA-N 1 1 262.356 3.400 20 30 CGEDMO C#Cc1ccc(C[N@@H+](C)Cc2ccc(O)cc2)cc1 ZINC000809753386 630801067 /nfs/dbraw/zinc/80/10/67/630801067.db2.gz HGIGIUWNLDKZPW-UHFFFAOYSA-N 1 1 251.329 3.006 20 30 CGEDMO C#CCOc1ccc(C[N@H+](C)[C@@H](CC)CSC)cc1 ZINC000809767860 630803809 /nfs/dbraw/zinc/80/38/09/630803809.db2.gz WBYHYNRTXJBPBA-HNNXBMFYSA-N 1 1 277.433 3.272 20 30 CGEDMO CCCCCCCCCC[NH2+][C@@]1(C)CCOC1=O ZINC000810097200 630837903 /nfs/dbraw/zinc/83/79/03/630837903.db2.gz GBLQNXUCACMUEP-HNNXBMFYSA-N 1 1 255.402 3.422 20 30 CGEDMO N#Cc1csc(C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)n1 ZINC000810143585 630845932 /nfs/dbraw/zinc/84/59/32/630845932.db2.gz JNUHSDFDPYSHSW-OAHLLOKOSA-N 1 1 287.363 3.395 20 30 CGEDMO C=CCCCCOC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000811009802 631001680 /nfs/dbraw/zinc/00/16/80/631001680.db2.gz AWRCUGVLLHQAOF-HNNXBMFYSA-N 1 1 271.376 3.098 20 30 CGEDMO CCCN[NH+]=Cc1c(Cl)cc(Cl)cc1N(C)C ZINC000811637531 631094176 /nfs/dbraw/zinc/09/41/76/631094176.db2.gz AZXLWQPIGMXUKL-UHFFFAOYSA-N 1 1 274.195 3.393 20 30 CGEDMO Cc1ccc(N=NC2CC[N@@H+](Cc3ccccc3)[C@H]2C)nc1 ZINC000811641171 631095683 /nfs/dbraw/zinc/09/56/83/631095683.db2.gz QPQRPBRAGUNKRX-HNNXBMFYSA-N 1 1 294.402 3.452 20 30 CGEDMO C#CCCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000812839687 631323068 /nfs/dbraw/zinc/32/30/68/631323068.db2.gz AHNRWJPALUXTHF-TWMKSMIVSA-N 1 1 263.425 3.051 20 30 CGEDMO CC[N@@H+](CCCSCC#N)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812853175 631326537 /nfs/dbraw/zinc/32/65/37/631326537.db2.gz OITBOJZHMLIHOB-HOCLYGCPSA-N 1 1 292.448 3.077 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876526126 634851135 /nfs/dbraw/zinc/85/11/35/634851135.db2.gz SSYVDTWKJXBTLO-PHIMTYICSA-N 1 1 263.772 3.085 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876526126 634851140 /nfs/dbraw/zinc/85/11/40/634851140.db2.gz SSYVDTWKJXBTLO-PHIMTYICSA-N 1 1 263.772 3.085 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1 ZINC000814169793 631536346 /nfs/dbraw/zinc/53/63/46/631536346.db2.gz MLTAHZGNIADDRB-CVEARBPZSA-N 1 1 291.341 3.176 20 30 CGEDMO C[C@@H]1C(=NOCC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000814244013 631557616 /nfs/dbraw/zinc/55/76/16/631557616.db2.gz BKFOFAGLWDXNPX-CYBMUJFWSA-N 1 1 258.365 3.063 20 30 CGEDMO CC(=[NH+]N[C@H]1CCCC1(C)C)c1cc(F)c(N)c(F)c1 ZINC000814916414 631680228 /nfs/dbraw/zinc/68/02/28/631680228.db2.gz AJKNBIFEJAHKEP-ZDUSSCGKSA-N 1 1 281.350 3.439 20 30 CGEDMO CSCCON=C1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000814922160 631682597 /nfs/dbraw/zinc/68/25/97/631682597.db2.gz XBOZDUFLCSMNEB-AWEZNQCLSA-N 1 1 292.448 3.407 20 30 CGEDMO C[C@H]1C(=NOCC2CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000814941202 631693564 /nfs/dbraw/zinc/69/35/64/631693564.db2.gz QFEJQPALJOBKEW-AWEZNQCLSA-N 1 1 272.392 3.454 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@H](CO)CC2)cc1 ZINC000815278755 631753631 /nfs/dbraw/zinc/75/36/31/631753631.db2.gz KJYUSWZIKYQEIS-MRXNPFEDSA-N 1 1 286.419 3.082 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCOC[C@H]2CC2CCC2)cc1 ZINC000816667340 632041401 /nfs/dbraw/zinc/04/14/01/632041401.db2.gz KLSIQKFMUWYTCR-GOSISDBHSA-N 1 1 269.388 3.059 20 30 CGEDMO C=C(Cl)COc1ccc([C@@H](C)NCCC[NH2+]C)cc1 ZINC000817941356 632240279 /nfs/dbraw/zinc/24/02/79/632240279.db2.gz UANBUBKHRHGMQB-CYBMUJFWSA-N 1 1 282.815 3.078 20 30 CGEDMO C[C@H](c1ccccn1)[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879433497 635787806 /nfs/dbraw/zinc/78/78/06/635787806.db2.gz UTRCRZKCAVPXEB-CQSZACIVSA-N 1 1 265.360 3.189 20 30 CGEDMO CC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(F)cc1O ZINC000818356224 632314069 /nfs/dbraw/zinc/31/40/69/632314069.db2.gz LLYQCTUMJDYIOX-SUHUHFCYSA-N 1 1 262.328 3.264 20 30 CGEDMO CC(C)c1ccc(Cc2noc([C@H]([NH3+])CCCC#N)n2)cc1 ZINC000822705673 633009172 /nfs/dbraw/zinc/00/91/72/633009172.db2.gz CHRWCJQRBUPEAN-OAHLLOKOSA-N 1 1 298.390 3.477 20 30 CGEDMO Cc1ccccc1[C@H](C)c1noc([C@@H]([NH3+])CCCC#N)n1 ZINC000822875618 633033411 /nfs/dbraw/zinc/03/34/11/633033411.db2.gz OCRWCNVCWZLMPN-JSGCOSHPSA-N 1 1 284.363 3.224 20 30 CGEDMO N#CCSCCC[N@H+]1CC[C@@]2(CCc3ccccc32)C1 ZINC000879998690 635894483 /nfs/dbraw/zinc/89/44/83/635894483.db2.gz YAFRXNXCVFQRQV-KRWDZBQOSA-N 1 1 286.444 3.223 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CC(C)(C)C[C@H]1c1ccccc1 ZINC000823644181 633131102 /nfs/dbraw/zinc/13/11/02/633131102.db2.gz UERCQMLTEJBQCO-HOCLYGCPSA-N 1 1 272.392 3.388 20 30 CGEDMO C[C@@H]([NH2+]Cc1nn(C)cc1C(F)F)c1ccc(C#N)cc1 ZINC000866568167 633198894 /nfs/dbraw/zinc/19/88/94/633198894.db2.gz WCTFVDCIQRWTJA-SNVBAGLBSA-N 1 1 290.317 3.080 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@H+]2CC[C@H]2C2CC2)cc1 ZINC000824649316 633267395 /nfs/dbraw/zinc/26/73/95/633267395.db2.gz CLZCRPFVTRJVKL-KRWDZBQOSA-N 1 1 269.392 3.021 20 30 CGEDMO C[C@@H](c1ccco1)[N@H+](C)Cc1cc(C#N)ccc1N(C)C ZINC000876573021 634860395 /nfs/dbraw/zinc/86/03/95/634860395.db2.gz SFRXQQOBYBPEPJ-ZDUSSCGKSA-N 1 1 283.375 3.410 20 30 CGEDMO C[C@@H](c1ccco1)[N@@H+](C)Cc1cc(C#N)ccc1N(C)C ZINC000876573021 634860398 /nfs/dbraw/zinc/86/03/98/634860398.db2.gz SFRXQQOBYBPEPJ-ZDUSSCGKSA-N 1 1 283.375 3.410 20 30 CGEDMO CCC(CC)[N@@H+](CCOC)Cc1cc(C#N)cnc1Cl ZINC000876599974 634865222 /nfs/dbraw/zinc/86/52/22/634865222.db2.gz CABHIDSZZAVKAM-UHFFFAOYSA-N 1 1 295.814 3.244 20 30 CGEDMO CCN(CC)c1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000827650197 633507585 /nfs/dbraw/zinc/50/75/85/633507585.db2.gz OOWLNUKTQNXDHI-QGZVFWFLSA-N 1 1 271.408 3.268 20 30 CGEDMO CCN(CC)c1ccc(C[N@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000827650197 633507588 /nfs/dbraw/zinc/50/75/88/633507588.db2.gz OOWLNUKTQNXDHI-QGZVFWFLSA-N 1 1 271.408 3.268 20 30 CGEDMO CC(C)C[N@H+](CCC#N)C[C@@]1(C)CC1(Cl)Cl ZINC000827873296 633529097 /nfs/dbraw/zinc/52/90/97/633529097.db2.gz RMHNOPVPKNCXBD-LLVKDONJSA-N 1 1 263.212 3.442 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)C[C@@]1(C)CC1(Cl)Cl ZINC000827873296 633529101 /nfs/dbraw/zinc/52/91/01/633529101.db2.gz RMHNOPVPKNCXBD-LLVKDONJSA-N 1 1 263.212 3.442 20 30 CGEDMO CC(C)CN(CCC#N)C[C@H]1CCCC[N@H+]1C(C)C ZINC000827873057 633529136 /nfs/dbraw/zinc/52/91/36/633529136.db2.gz MKWZCJAQPITPPS-MRXNPFEDSA-N 1 1 265.445 3.121 20 30 CGEDMO N#CCCCCC(=O)OC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000870732203 633638053 /nfs/dbraw/zinc/63/80/53/633638053.db2.gz FHQSCWYDCFRMCG-INIZCTEOSA-N 1 1 292.423 3.411 20 30 CGEDMO C[C@@H](C[C@H]1CCCC[N@H+]1C)OC(=O)CCCCCC#N ZINC000870785298 633646307 /nfs/dbraw/zinc/64/63/07/633646307.db2.gz NQHWXXKECQRJRB-LSDHHAIUSA-N 1 1 280.412 3.267 20 30 CGEDMO C#CCCC[N@@H+](Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC000829538974 633749168 /nfs/dbraw/zinc/74/91/68/633749168.db2.gz WCYZZEDWLIMUMY-SFHVURJKSA-N 1 1 271.404 3.063 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+]([C@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000829773087 633780133 /nfs/dbraw/zinc/78/01/33/633780133.db2.gz ALYCGDVYJQNJAP-OLZOCXBDSA-N 1 1 275.396 3.163 20 30 CGEDMO C#CC[C@H]1CCC[N@H+]([C@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000829773087 633780135 /nfs/dbraw/zinc/78/01/35/633780135.db2.gz ALYCGDVYJQNJAP-OLZOCXBDSA-N 1 1 275.396 3.163 20 30 CGEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C#CC(C)C)cc1 ZINC000829772727 633780201 /nfs/dbraw/zinc/78/02/01/633780201.db2.gz FJYGOEDFYBXEJJ-AWEZNQCLSA-N 1 1 295.386 3.017 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2csc(CCC)n2)C1 ZINC000829773369 633780562 /nfs/dbraw/zinc/78/05/62/633780562.db2.gz DNLNMJPTZDRZHL-CYBMUJFWSA-N 1 1 262.422 3.331 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC000829773800 633780578 /nfs/dbraw/zinc/78/05/78/633780578.db2.gz JXZZBOOUEFXYEF-ZDUSSCGKSA-N 1 1 254.333 3.063 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2noc(-c3ccsc3)n2)C1 ZINC000829773112 633780861 /nfs/dbraw/zinc/78/08/61/633780861.db2.gz ATHLQYUDZKUDIF-LBPRGKRZSA-N 1 1 287.388 3.033 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2noc(-c3ccsc3)n2)C1 ZINC000829773112 633780864 /nfs/dbraw/zinc/78/08/64/633780864.db2.gz ATHLQYUDZKUDIF-LBPRGKRZSA-N 1 1 287.388 3.033 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2CC)C1 ZINC000829774276 633780911 /nfs/dbraw/zinc/78/09/11/633780911.db2.gz OLPAZYOHKIRNPV-JKSUJKDBSA-N 1 1 298.430 3.311 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](CCc2nc(-c3ccccc3)no2)C1 ZINC000829785852 633783386 /nfs/dbraw/zinc/78/33/86/633783386.db2.gz ZVRLFKWGOJYYJK-HNNXBMFYSA-N 1 1 295.386 3.014 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2nc(-c3ccccc3F)no2)C1 ZINC000829809383 633792321 /nfs/dbraw/zinc/79/23/21/633792321.db2.gz AAYNARHNYIRFGU-CYBMUJFWSA-N 1 1 299.349 3.111 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cccc(C(C)=O)c2)C1 ZINC000829815360 633795329 /nfs/dbraw/zinc/79/53/29/633795329.db2.gz KIULUHRFYUYRFS-OAHLLOKOSA-N 1 1 255.361 3.125 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cncc(C(F)(F)F)c2)C1 ZINC000829815690 633796428 /nfs/dbraw/zinc/79/64/28/633796428.db2.gz QXFVMMQRHSNWKM-GFCCVEGCSA-N 1 1 282.309 3.336 20 30 CGEDMO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@H](C)[N@@H+]1CCCC#N ZINC000830182963 633837054 /nfs/dbraw/zinc/83/70/54/633837054.db2.gz MXPHACGKTARCHQ-HZSPNIEDSA-N 1 1 295.427 3.008 20 30 CGEDMO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@H](C)[N@H+]1CCCC#N ZINC000830182963 633837056 /nfs/dbraw/zinc/83/70/56/633837056.db2.gz MXPHACGKTARCHQ-HZSPNIEDSA-N 1 1 295.427 3.008 20 30 CGEDMO N#Cc1ccc(CO[NH+]=C(N)C2CCCCCC2)o1 ZINC000871738064 633847869 /nfs/dbraw/zinc/84/78/69/633847869.db2.gz WBSVJQZFJNAPTM-UHFFFAOYSA-N 1 1 261.325 3.120 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CCC[C@H](F)C2)cc1 ZINC000846119394 636147258 /nfs/dbraw/zinc/14/72/58/636147258.db2.gz DUNSBZRMULWDOZ-HNNXBMFYSA-N 1 1 261.340 3.023 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@H](F)C2)cc1 ZINC000846119394 636147263 /nfs/dbraw/zinc/14/72/63/636147263.db2.gz DUNSBZRMULWDOZ-HNNXBMFYSA-N 1 1 261.340 3.023 20 30 CGEDMO C=CC(C)(C)CCC[NH2+][C@@H](c1ncc[nH]1)c1cccnc1 ZINC000872101768 634022699 /nfs/dbraw/zinc/02/26/99/634022699.db2.gz OBJXDMSDBRUCTI-OAHLLOKOSA-N 1 1 284.407 3.476 20 30 CGEDMO C=C(Cl)C[C@H]([NH3+])c1nc([C@H](C)C(C)(C)C)no1 ZINC000872175628 634079430 /nfs/dbraw/zinc/07/94/30/634079430.db2.gz NVCGVIRNQIVQRN-IUCAKERBSA-N 1 1 257.765 3.362 20 30 CGEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2ccc(C)s2)no1 ZINC000872184846 634081538 /nfs/dbraw/zinc/08/15/38/634081538.db2.gz YUKNUTDWSRFAMY-QMMMGPOBSA-N 1 1 269.757 3.249 20 30 CGEDMO C=C(Br)C[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872277465 634097137 /nfs/dbraw/zinc/09/71/37/634097137.db2.gz ZOHSTMWKBHCPGA-ZDUSSCGKSA-N 1 1 288.229 3.319 20 30 CGEDMO C=C(Br)C[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872277465 634097142 /nfs/dbraw/zinc/09/71/42/634097142.db2.gz ZOHSTMWKBHCPGA-ZDUSSCGKSA-N 1 1 288.229 3.319 20 30 CGEDMO CSc1nnc(SC)n1[NH+]=C[C@H]1CCC[C@H](C)C1 ZINC000872417570 634141122 /nfs/dbraw/zinc/14/11/22/634141122.db2.gz FJESBSWPQCRINK-UWVGGRQHSA-N 1 1 284.454 3.382 20 30 CGEDMO CCCCCC=[NH+]n1c(SC)nnc1SC ZINC000872417927 634141225 /nfs/dbraw/zinc/14/12/25/634141225.db2.gz UFJHRDILVZYSJY-UHFFFAOYSA-N 1 1 258.416 3.136 20 30 CGEDMO CC(C)[N@H+](CCCC#N)c1ccc(N2CCOCC2)cc1 ZINC000101559422 634189706 /nfs/dbraw/zinc/18/97/06/634189706.db2.gz HPUCQQVNSFYEQX-UHFFFAOYSA-N 1 1 287.407 3.042 20 30 CGEDMO CC(C)[N@@H+](CCCC#N)c1ccc(N2CCOCC2)cc1 ZINC000101559422 634189718 /nfs/dbraw/zinc/18/97/18/634189718.db2.gz HPUCQQVNSFYEQX-UHFFFAOYSA-N 1 1 287.407 3.042 20 30 CGEDMO C#CCCC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000834607561 634197249 /nfs/dbraw/zinc/19/72/49/634197249.db2.gz ZBWXMRDGOXOVOZ-XUVXKRRUSA-N 1 1 296.458 3.433 20 30 CGEDMO CCc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000834902331 634278895 /nfs/dbraw/zinc/27/88/95/634278895.db2.gz GWRNMTODFDOGBZ-JTQLQIEISA-N 1 1 287.338 3.407 20 30 CGEDMO C#CC[N@@H+](Cc1cc(C#N)cnc1Cl)C1CCCCC1 ZINC000876643148 634874466 /nfs/dbraw/zinc/87/44/66/634874466.db2.gz VGJQWWIWZRAQOL-UHFFFAOYSA-N 1 1 287.794 3.375 20 30 CGEDMO C#CC[N@H+](Cc1cc(C#N)cnc1Cl)C1CCCCC1 ZINC000876643148 634874470 /nfs/dbraw/zinc/87/44/70/634874470.db2.gz VGJQWWIWZRAQOL-UHFFFAOYSA-N 1 1 287.794 3.375 20 30 CGEDMO CC[N@@H+](Cc1cc(C#N)cnc1Cl)[C@@H](C)C(C)C ZINC000876643286 634874725 /nfs/dbraw/zinc/87/47/25/634874725.db2.gz BZZFITBVYWBUMT-NSHDSACASA-N 1 1 265.788 3.473 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)cnc1Cl)C(C1CC1)C1CC1 ZINC000876651316 634875989 /nfs/dbraw/zinc/87/59/89/634875989.db2.gz AVVGUWBRONMCKS-UHFFFAOYSA-N 1 1 275.783 3.227 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000876732335 634887966 /nfs/dbraw/zinc/88/79/66/634887966.db2.gz ZNTXGIRHTKGGRI-HNNXBMFYSA-N 1 1 261.365 3.237 20 30 CGEDMO C#CCCCCCC[N@H+]1CCOC[C@H]1c1ccco1 ZINC000876732335 634887970 /nfs/dbraw/zinc/88/79/70/634887970.db2.gz ZNTXGIRHTKGGRI-HNNXBMFYSA-N 1 1 261.365 3.237 20 30 CGEDMO C#CCCCCCC[NH2+]C1CCN(C2CCC2)CC1 ZINC000876973190 634940769 /nfs/dbraw/zinc/94/07/69/634940769.db2.gz XKBFVQDZZDPSIN-UHFFFAOYSA-N 1 1 262.441 3.177 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@H]1c1nc(C)no1 ZINC000877522745 635070503 /nfs/dbraw/zinc/07/05/03/635070503.db2.gz GHXSPVAWGXBVKC-AWEZNQCLSA-N 1 1 261.369 3.099 20 30 CGEDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000877532668 635075446 /nfs/dbraw/zinc/07/54/46/635075446.db2.gz WKBNMPMOCDGEDK-GXFFZTMASA-N 1 1 263.772 3.370 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CC3(CCOCC3)[C@H]2C(C)C)cc1 ZINC000840970402 635096901 /nfs/dbraw/zinc/09/69/01/635096901.db2.gz QDXCGUWQTCPNLB-GOSISDBHSA-N 1 1 283.415 3.305 20 30 CGEDMO N#Cc1cnc(Cl)c(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000877603923 635107251 /nfs/dbraw/zinc/10/72/51/635107251.db2.gz VCHJVLLWHGSLSY-JSGCOSHPSA-N 1 1 275.783 3.371 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000877616322 635114817 /nfs/dbraw/zinc/11/48/17/635114817.db2.gz AVSTWGYQQXLGKW-CQSZACIVSA-N 1 1 250.345 3.080 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2cc3c(cc[nH]c3=O)o2)C1 ZINC000877623879 635117996 /nfs/dbraw/zinc/11/79/96/635117996.db2.gz CSBFYVUADRZSMW-GFCCVEGCSA-N 1 1 272.348 3.322 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000877649746 635131319 /nfs/dbraw/zinc/13/13/19/635131319.db2.gz GYWNNNMJDVUUQE-LBPRGKRZSA-N 1 1 286.325 3.358 20 30 CGEDMO C[N@@H+](CCCC1CCOCC1)CCc1cccc(C#N)c1 ZINC000877704120 635155778 /nfs/dbraw/zinc/15/57/78/635155778.db2.gz IKZWLWVDISXQSC-UHFFFAOYSA-N 1 1 286.419 3.239 20 30 CGEDMO COc1ccc(C[N@@H+](C)CCc2cccc(C#N)c2)cc1 ZINC000877704762 635157558 /nfs/dbraw/zinc/15/75/58/635157558.db2.gz VGRAYKMFSSRASU-UHFFFAOYSA-N 1 1 280.371 3.241 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000877710766 635159890 /nfs/dbraw/zinc/15/98/90/635159890.db2.gz RZJYGSDVYFBGPJ-GOEBONIOSA-N 1 1 264.413 3.350 20 30 CGEDMO CC(NNc1[nH+]ncc2ccccc21)=C1CC1(F)F ZINC000841603133 635194765 /nfs/dbraw/zinc/19/47/65/635194765.db2.gz JVONXIOCKQOHEZ-LLVKDONJSA-N 1 1 262.263 3.073 20 30 CGEDMO CC([NH2+]Nc1ccc([N+](=O)[O-])cc1C)=C1CC1(F)F ZINC000841636663 635204147 /nfs/dbraw/zinc/20/41/47/635204147.db2.gz BUWJFXMUVHNKIJ-SNVBAGLBSA-N 1 1 269.251 3.346 20 30 CGEDMO C#CCCCC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841750726 635225255 /nfs/dbraw/zinc/22/52/55/635225255.db2.gz IRCIWGORLBDCNQ-LLVKDONJSA-N 1 1 251.757 3.500 20 30 CGEDMO C[C@H]1C[N@@H+](CC(C)(C)CCC#N)CC[C@@H](C(F)(F)F)O1 ZINC000877825187 635229324 /nfs/dbraw/zinc/22/93/24/635229324.db2.gz XYAVHQBGEPASEJ-RYUDHWBXSA-N 1 1 292.345 3.358 20 30 CGEDMO C#CCCCCC[N@H+](C)CC(=O)Nc1cccc(C)c1C ZINC000877946698 635282842 /nfs/dbraw/zinc/28/28/42/635282842.db2.gz NRSDHUBBBTXMNX-UHFFFAOYSA-N 1 1 286.419 3.367 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000877953278 635285821 /nfs/dbraw/zinc/28/58/21/635285821.db2.gz FDOVDRQFHYONFU-INIZCTEOSA-N 1 1 286.419 3.108 20 30 CGEDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000842165950 635301830 /nfs/dbraw/zinc/30/18/30/635301830.db2.gz HFUBSURNCCRUGS-HZSPNIEDSA-N 1 1 258.365 3.065 20 30 CGEDMO C[C@H](CC#N)[N@H+](C)CCc1ccccc1Br ZINC000878189436 635402769 /nfs/dbraw/zinc/40/27/69/635402769.db2.gz ZEMBQRILDMMCDB-LLVKDONJSA-N 1 1 281.197 3.226 20 30 CGEDMO C[C@H](CC#N)[N@@H+](C)CCc1ccccc1Br ZINC000878189436 635402779 /nfs/dbraw/zinc/40/27/79/635402779.db2.gz ZEMBQRILDMMCDB-LLVKDONJSA-N 1 1 281.197 3.226 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000878391717 635484716 /nfs/dbraw/zinc/48/47/16/635484716.db2.gz BBNVIJOGXNTCLA-CYBMUJFWSA-N 1 1 285.366 3.334 20 30 CGEDMO C=CCC[N@@H+](C)Cc1nc(C)c(Br)s1 ZINC000878489979 635530351 /nfs/dbraw/zinc/53/03/51/635530351.db2.gz CBZVLOVKGCPWKE-UHFFFAOYSA-N 1 1 275.215 3.222 20 30 CGEDMO C=CCC[N@H+](C)Cc1nc(C)c(Br)s1 ZINC000878489979 635530356 /nfs/dbraw/zinc/53/03/56/635530356.db2.gz CBZVLOVKGCPWKE-UHFFFAOYSA-N 1 1 275.215 3.222 20 30 CGEDMO CCCCCCCCC(=O)NC[C@H]1CCC[N@H+]1CC ZINC000104983760 635535047 /nfs/dbraw/zinc/53/50/47/635535047.db2.gz JOLDULDURMDWDB-OAHLLOKOSA-N 1 1 268.445 3.338 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCc2nccc(Br)c2C1 ZINC000878768173 635625905 /nfs/dbraw/zinc/62/59/05/635625905.db2.gz TXEOOSVSWDCXFC-JTQLQIEISA-N 1 1 281.197 3.167 20 30 CGEDMO Cc1cc(C[NH2+][C@H](C)CC#N)ccc1N1CCCCC1 ZINC000878821278 635637313 /nfs/dbraw/zinc/63/73/13/635637313.db2.gz VVDWXAIKXJPRGB-OAHLLOKOSA-N 1 1 271.408 3.377 20 30 CGEDMO C=CC[N@@H+](C[C@H]1CC(C)(C)OC1(C)C)[C@H](C)COC ZINC000878889624 635651234 /nfs/dbraw/zinc/65/12/34/635651234.db2.gz DEQALRSSSXCIPZ-ZIAGYGMSSA-N 1 1 269.429 3.103 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1C(C)(C)C#N)C1CSC1 ZINC000878912669 635655846 /nfs/dbraw/zinc/65/58/46/635655846.db2.gz KLQYTQSLUMQUGI-UHFFFAOYSA-N 1 1 284.428 3.038 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1C(C)(C)C#N)C1CSC1 ZINC000878912669 635655852 /nfs/dbraw/zinc/65/58/52/635655852.db2.gz KLQYTQSLUMQUGI-UHFFFAOYSA-N 1 1 284.428 3.038 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000843413714 635661564 /nfs/dbraw/zinc/66/15/64/635661564.db2.gz NXYACHZIHQGDMX-ROUUACIJSA-N 1 1 299.414 3.090 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000843423285 635666353 /nfs/dbraw/zinc/66/63/53/635666353.db2.gz BVUNAJWYIVWDLY-AWEZNQCLSA-N 1 1 299.443 3.384 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(OCOCC)cc2)C1 ZINC000843423266 635666373 /nfs/dbraw/zinc/66/63/73/635666373.db2.gz BLRCOPTXCSMDHI-MRXNPFEDSA-N 1 1 287.403 3.295 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000843424450 635668562 /nfs/dbraw/zinc/66/85/62/635668562.db2.gz UPUIFHGKWBMODN-HNNXBMFYSA-N 1 1 279.387 3.312 20 30 CGEDMO C#CCCCCC[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000879065107 635693120 /nfs/dbraw/zinc/69/31/20/635693120.db2.gz SRUGMRXWETXCGL-UHFFFAOYSA-N 1 1 266.388 3.304 20 30 CGEDMO N#CCc1cccc2c1CC[N@H+](CCCOC(F)(F)F)C2 ZINC000879064731 635693545 /nfs/dbraw/zinc/69/35/45/635693545.db2.gz NJGCGSRYLWJHFJ-UHFFFAOYSA-N 1 1 298.308 3.037 20 30 CGEDMO Cc1cc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)ccc1N(C)C ZINC000879309753 635752748 /nfs/dbraw/zinc/75/27/48/635752748.db2.gz PZERUIURTIWBQF-NVXWUHKLSA-N 1 1 271.408 3.185 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCO[C@@H](c2ccccc2OC)C1 ZINC000879629293 635822266 /nfs/dbraw/zinc/82/22/66/635822266.db2.gz KYWHIKXFGNOFGR-CZUORRHYSA-N 1 1 261.365 3.033 20 30 CGEDMO C=CC[C@@H](C)[N@@H+]1CCO[C@@H](c2ccccc2OC)C1 ZINC000879629293 635822269 /nfs/dbraw/zinc/82/22/69/635822269.db2.gz KYWHIKXFGNOFGR-CZUORRHYSA-N 1 1 261.365 3.033 20 30 CGEDMO Cc1cncc([C@@H]2CCC[N@H+]2CCC(C)(C)C#N)c1 ZINC000879749408 635853121 /nfs/dbraw/zinc/85/31/21/635853121.db2.gz HWZKHLKXTGTRCL-HNNXBMFYSA-N 1 1 257.381 3.467 20 30 CGEDMO C=CCCCN1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879948294 635885950 /nfs/dbraw/zinc/88/59/50/635885950.db2.gz BETDRHMRBLCSHJ-UHFFFAOYSA-N 1 1 250.430 3.293 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(Cc2nc([C@H]3C[C@@H]3C)no2)CC1 ZINC000844409574 635892701 /nfs/dbraw/zinc/89/27/01/635892701.db2.gz KCYIKZUIANYRDW-GWCFXTLKSA-N 1 1 295.814 3.200 20 30 CGEDMO C[C@@]1(C(F)(F)F)CC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000880000515 635894794 /nfs/dbraw/zinc/89/47/94/635894794.db2.gz MHOSIAMLRDDAKM-CQSZACIVSA-N 1 1 298.308 3.211 20 30 CGEDMO CC(C)(C)OC1CC([N@@H+]2Cc3cccc(C#N)c3C2)C1 ZINC000844472947 635912598 /nfs/dbraw/zinc/91/25/98/635912598.db2.gz SZKIFOIRDNNINM-UHFFFAOYSA-N 1 1 270.376 3.220 20 30 CGEDMO CC(C)(C)OC1CC([N@H+]2Cc3cccc(C#N)c3C2)C1 ZINC000844472947 635912603 /nfs/dbraw/zinc/91/26/03/635912603.db2.gz SZKIFOIRDNNINM-UHFFFAOYSA-N 1 1 270.376 3.220 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](C)C1(Cc2ccccc2)CCCC1 ZINC000880120894 635917262 /nfs/dbraw/zinc/91/72/62/635917262.db2.gz JEEIXBCOURFPOY-MRXNPFEDSA-N 1 1 286.419 3.402 20 30 CGEDMO COc1ccccc1[C@@H]1CSCCC[N@H+]1CCCC#N ZINC000880173918 635927816 /nfs/dbraw/zinc/92/78/16/635927816.db2.gz PXLSZPMBPNVGPG-HNNXBMFYSA-N 1 1 290.432 3.479 20 30 CGEDMO CCCCCCCC[N@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880585959 636027095 /nfs/dbraw/zinc/02/70/95/636027095.db2.gz VJXCMBVJXVUCMD-INIZCTEOSA-N 1 1 283.456 3.210 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc(F)c(OC)cc2OC)C1 ZINC000845987877 636126891 /nfs/dbraw/zinc/12/68/91/636126891.db2.gz MQEZGPXIYUKCNO-CYBMUJFWSA-N 1 1 291.366 3.078 20 30 CGEDMO N#CC1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CCCC1 ZINC000846011420 636129229 /nfs/dbraw/zinc/12/92/29/636129229.db2.gz UCGNJDXZJWZINH-UHFFFAOYSA-N 1 1 282.746 3.358 20 30 CGEDMO C#C[C@H]1CCC[N@H+](C[C@@H](OC(C)C)c2ccccc2)C1 ZINC000847019385 636312699 /nfs/dbraw/zinc/31/26/99/636312699.db2.gz POUACTIANYRPKI-FUHWJXTLSA-N 1 1 271.404 3.498 20 30 CGEDMO C#C[C@H]1CCC[N@@H+]([C@@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC000847024697 636314707 /nfs/dbraw/zinc/31/47/07/636314707.db2.gz KNRBHUWTCKMIER-STQMWFEESA-N 1 1 260.381 3.378 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC000847024697 636314713 /nfs/dbraw/zinc/31/47/13/636314713.db2.gz KNRBHUWTCKMIER-STQMWFEESA-N 1 1 260.381 3.378 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+]([C@@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC000847024695 636316038 /nfs/dbraw/zinc/31/60/38/636316038.db2.gz KNRBHUWTCKMIER-QWHCGFSZSA-N 1 1 260.381 3.378 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC000847024695 636316044 /nfs/dbraw/zinc/31/60/44/636316044.db2.gz KNRBHUWTCKMIER-QWHCGFSZSA-N 1 1 260.381 3.378 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000847026367 636316959 /nfs/dbraw/zinc/31/69/59/636316959.db2.gz YBJLWBKSUZDDQA-CQSZACIVSA-N 1 1 266.344 3.187 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000847026367 636316963 /nfs/dbraw/zinc/31/69/63/636316963.db2.gz YBJLWBKSUZDDQA-CQSZACIVSA-N 1 1 266.344 3.187 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000847026603 636317149 /nfs/dbraw/zinc/31/71/49/636317149.db2.gz QDNIQDOEWQHNSY-OLZOCXBDSA-N 1 1 258.321 3.001 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000847038130 636320443 /nfs/dbraw/zinc/32/04/43/636320443.db2.gz WVAGKHZXGHAFKZ-DOMZBBRYSA-N 1 1 297.320 3.084 20 30 CGEDMO COc1c(C)c[nH+]c(CN2Cc3ccc(C#N)cc3C2)c1C ZINC000847046581 636321722 /nfs/dbraw/zinc/32/17/22/636321722.db2.gz RKLCQBQIVHIIII-UHFFFAOYSA-N 1 1 293.370 3.095 20 30 CGEDMO Fc1ccccc1N=NC1CCC[N@H+]2CCCC[C@H]12 ZINC000848404237 636567820 /nfs/dbraw/zinc/56/78/20/636567820.db2.gz IANWTFSTLOCLDQ-OAHLLOKOSA-N 1 1 261.344 3.242 20 30 CGEDMO CC1(C)CCC[C@H]1NN=C1CCC[N@H+]2CCCC[C@@H]12 ZINC000848410066 636569749 /nfs/dbraw/zinc/56/97/49/636569749.db2.gz HDPFMEJZIVJWHZ-LSDHHAIUSA-N 1 1 263.429 3.159 20 30 CGEDMO COc1cc(F)ccc1N=NC1CCC[N@H+]2CCCC[C@H]12 ZINC000848409928 636570007 /nfs/dbraw/zinc/57/00/07/636570007.db2.gz FWKUNKXJTKBQKX-OAHLLOKOSA-N 1 1 291.370 3.251 20 30 CGEDMO C=CCC[C@H]([NH2+]Cc1nc2ccc(C)cc2[nH]1)[C@H]1CCCO1 ZINC000883194374 636577731 /nfs/dbraw/zinc/57/77/31/636577731.db2.gz UQJCYRQELRDSTJ-DOTOQJQBSA-N 1 1 299.418 3.475 20 30 CGEDMO Cn1c(Cl)ncc1C[NH2+][C@H](CCC#N)c1ccccc1 ZINC000848542720 636598114 /nfs/dbraw/zinc/59/81/14/636598114.db2.gz CJDSZFWHRCJVKC-CQSZACIVSA-N 1 1 288.782 3.208 20 30 CGEDMO Cc1cc(F)ccc1-c1noc([C@H]([NH3+])CCCCC#N)n1 ZINC000848620310 636620483 /nfs/dbraw/zinc/62/04/83/636620483.db2.gz BTWJNRYRAGNAJO-CYBMUJFWSA-N 1 1 288.326 3.268 20 30 CGEDMO C=CCC(C)(C)c1noc([C@@H]([NH3+])CCCCC#N)n1 ZINC000848630861 636624260 /nfs/dbraw/zinc/62/42/60/636624260.db2.gz TTZJFCWKEDWGLJ-NSHDSACASA-N 1 1 262.357 3.007 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cccc(OC)c2OC(C)C)C1 ZINC000848922986 636693973 /nfs/dbraw/zinc/69/39/73/636693973.db2.gz AWRBUHWVVWOBFJ-HNNXBMFYSA-N 1 1 287.403 3.328 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cn(-c3cccc(F)c3)nc2C)C1 ZINC000848923690 636695811 /nfs/dbraw/zinc/69/58/11/636695811.db2.gz IKDLYAIVXXDMQN-OAHLLOKOSA-N 1 1 297.377 3.165 20 30 CGEDMO C#C[C@H]1CCC[N@H+](C/C=C/c2ccccc2OC)C1 ZINC000848924112 636695819 /nfs/dbraw/zinc/69/58/19/636695819.db2.gz NXJXGJVJVGGUPU-VSGCLNPGSA-N 1 1 255.361 3.054 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000848925289 636698202 /nfs/dbraw/zinc/69/82/02/636698202.db2.gz RQAOVYGAKLTREU-GOSISDBHSA-N 1 1 299.414 3.232 20 30 CGEDMO CC(C)Oc1ccc(NCc2c[nH+]c3n2CCC3)cc1C#N ZINC000850323329 637017822 /nfs/dbraw/zinc/01/78/22/637017822.db2.gz QSLZGPIEKFSGHN-UHFFFAOYSA-N 1 1 296.374 3.100 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000134992256 637061643 /nfs/dbraw/zinc/06/16/43/637061643.db2.gz IHLSWQYCNWOYRY-UHFFFAOYSA-N 1 1 251.757 3.242 20 30 CGEDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000135334808 637118381 /nfs/dbraw/zinc/11/83/81/637118381.db2.gz RVFGOSXTTFDODC-WBAXXEDZSA-N 1 1 286.419 3.492 20 30 CGEDMO C[N@@H+](C[C@@H](O)CC1(C#N)CCC1)C1CCCCCC1 ZINC000885933578 637319976 /nfs/dbraw/zinc/31/99/76/637319976.db2.gz YEELDMQRDLMLBM-HNNXBMFYSA-N 1 1 264.413 3.086 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)C[C@H](O)CC1(C#N)CCC1 ZINC000885967866 637336150 /nfs/dbraw/zinc/33/61/50/637336150.db2.gz ZWVDBWVDHIDXBQ-GOSISDBHSA-N 1 1 298.430 3.162 20 30 CGEDMO CC(C)[C@H]1CCC[N@@H+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000886012810 637361791 /nfs/dbraw/zinc/36/17/91/637361791.db2.gz OXQLDZWYLWOREQ-JKSUJKDBSA-N 1 1 278.440 3.189 20 30 CGEDMO C[N@H+](Cc1cc2ccccc2o1)C[C@@H](O)CC1(C#N)CCC1 ZINC000886029837 637374046 /nfs/dbraw/zinc/37/40/46/637374046.db2.gz CJWHHOPZBCMRNU-HNNXBMFYSA-N 1 1 298.386 3.309 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)C[C@@H](O)CC1(C#N)CCC1 ZINC000886030720 637375605 /nfs/dbraw/zinc/37/56/05/637375605.db2.gz SMDINLSVWTTXRP-INIZCTEOSA-N 1 1 291.439 3.083 20 30 CGEDMO C[N@@H+](C[C@H](O)CC1(C#N)CCC1)C1CCC(C)(C)CC1 ZINC000886036973 637379586 /nfs/dbraw/zinc/37/95/86/637379586.db2.gz DWZFBZHVNOGBBA-OAHLLOKOSA-N 1 1 278.440 3.332 20 30 CGEDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886044181 637383566 /nfs/dbraw/zinc/38/35/66/637383566.db2.gz SOJLUNBJFKVCTA-JYJNAYRXSA-N 1 1 278.440 3.332 20 30 CGEDMO Cc1cccc(C[N@@H+](C)C[C@H](O)CC2(C#N)CCC2)c1C ZINC000886215218 637460339 /nfs/dbraw/zinc/46/03/39/637460339.db2.gz GEDUVBRUYMAUOJ-QGZVFWFLSA-N 1 1 286.419 3.180 20 30 CGEDMO C=CC[N@H+](CCC(OC)OC)Cc1ccc(Cl)s1 ZINC000851714817 637472493 /nfs/dbraw/zinc/47/24/93/637472493.db2.gz UKLGTQGFPKRWNV-UHFFFAOYSA-N 1 1 289.828 3.399 20 30 CGEDMO N#CC1(C[C@H](O)C[N@H+]2CCCC[C@H]2C2CCC2)CCC1 ZINC000886267093 637473633 /nfs/dbraw/zinc/47/36/33/637473633.db2.gz FYUNDNYCPPAHRM-HOTGVXAUSA-N 1 1 276.424 3.086 20 30 CGEDMO N#CC1(C[C@H](O)C[N@H+]2CC[C@@H]2c2ccc(F)cc2)CCC1 ZINC000886279469 637480880 /nfs/dbraw/zinc/48/08/80/637480880.db2.gz ZNGJSSUUOMCZAR-JKSUJKDBSA-N 1 1 288.366 3.017 20 30 CGEDMO C#CC[C@@H]1CC[N@H+]([C@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000886355515 637511272 /nfs/dbraw/zinc/51/12/72/637511272.db2.gz JQSGDYGLRSZFGG-ZIAGYGMSSA-N 1 1 281.359 3.143 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2nc3ccccc3n2C(F)F)C1 ZINC000886355492 637511410 /nfs/dbraw/zinc/51/14/10/637511410.db2.gz JHMRRWSEOHFLCO-GFCCVEGCSA-N 1 1 289.329 3.277 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2nc3ccccc3n2C(F)F)C1 ZINC000886355492 637511415 /nfs/dbraw/zinc/51/14/15/637511415.db2.gz JHMRRWSEOHFLCO-GFCCVEGCSA-N 1 1 289.329 3.277 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ncc(-c3ccc(OC)cc3)o2)C1 ZINC000886356263 637511442 /nfs/dbraw/zinc/51/14/42/637511442.db2.gz XEEKFWSHVRUGQX-CQSZACIVSA-N 1 1 296.370 3.195 20 30 CGEDMO C#CC[C@@H]1CC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000886357891 637512999 /nfs/dbraw/zinc/51/29/99/637512999.db2.gz MZPGGXZYTMADBN-CHWSQXEVSA-N 1 1 258.321 3.001 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+]([C@H](C)c2noc(-c3ccccc3)n2)C1 ZINC000886364194 637513916 /nfs/dbraw/zinc/51/39/16/637513916.db2.gz RLPDBHZQZYLWKJ-ZIAGYGMSSA-N 1 1 281.359 3.143 20 30 CGEDMO C#CC[C@@H]1CC[N@H+]([C@H](C)c2noc(-c3ccccc3)n2)C1 ZINC000886364194 637513922 /nfs/dbraw/zinc/51/39/22/637513922.db2.gz RLPDBHZQZYLWKJ-ZIAGYGMSSA-N 1 1 281.359 3.143 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2ccccc2OC2CC2)C1 ZINC000886365947 637515939 /nfs/dbraw/zinc/51/59/39/637515939.db2.gz TZKLWXGEQMCJTH-CQSZACIVSA-N 1 1 255.361 3.073 20 30 CGEDMO C#C[C@](C)(CC)[NH2+]Cc1ccn(CCc2ccccc2)n1 ZINC000852103491 637597828 /nfs/dbraw/zinc/59/78/28/637597828.db2.gz JJKLPUMYCDQCAB-GOSISDBHSA-N 1 1 281.403 3.017 20 30 CGEDMO N#C[C@H]1CC[C@H]([N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)C1 ZINC000886617038 637609623 /nfs/dbraw/zinc/60/96/23/637609623.db2.gz BYZOPAXPUPQDOE-CYDGBPFRSA-N 1 1 272.314 3.343 20 30 CGEDMO CC(C)C[C@H](C)[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852332267 637636304 /nfs/dbraw/zinc/63/63/04/637636304.db2.gz HOPLXHSJIMZQMN-DOTOQJQBSA-N 1 1 271.408 3.373 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(C)cc2)C1 ZINC000852410127 637647949 /nfs/dbraw/zinc/64/79/49/637647949.db2.gz IRZQKWQZHOWHJY-DOTOQJQBSA-N 1 1 259.393 3.317 20 30 CGEDMO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1cc(C3CC3)no1)CC2 ZINC000886684212 637650418 /nfs/dbraw/zinc/65/04/18/637650418.db2.gz HIDCPQBYWCDLFY-MRXNPFEDSA-N 1 1 279.343 3.201 20 30 CGEDMO C=CC[N@@H+](C[C@H](O)c1ccc(F)c(F)c1)C(C)(C)C ZINC000852553753 637677033 /nfs/dbraw/zinc/67/70/33/637677033.db2.gz VRPRIBZYHYFPPN-AWEZNQCLSA-N 1 1 269.335 3.285 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)c1ccc(F)cc1C ZINC000852685974 637695025 /nfs/dbraw/zinc/69/50/25/637695025.db2.gz NKBKFKFYJIADIR-HLLBOEOZSA-N 1 1 275.367 3.351 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)c(Cl)c1 ZINC000886819621 637706049 /nfs/dbraw/zinc/70/60/49/637706049.db2.gz UVGQVSISIHEQAC-GDBMZVCRSA-N 1 1 290.794 3.213 20 30 CGEDMO N#C[C@H]1CC[C@H]([N@H+]2Cc3ccccc3OC3(CCC3)C2)C1 ZINC000887150123 637764221 /nfs/dbraw/zinc/76/42/21/637764221.db2.gz YBCRDNDHTOZZIX-HOCLYGCPSA-N 1 1 282.387 3.496 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cn2ncc(Cl)c2C2CC2)C1 ZINC000853519020 637860686 /nfs/dbraw/zinc/86/06/86/637860686.db2.gz WVKWYEVRRVZWJF-LBPRGKRZSA-N 1 1 277.799 3.107 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cn2ncc(Cl)c2C2CC2)C1 ZINC000853519020 637860689 /nfs/dbraw/zinc/86/06/89/637860689.db2.gz WVKWYEVRRVZWJF-LBPRGKRZSA-N 1 1 277.799 3.107 20 30 CGEDMO C=CC[N@@H+](Cc1cc(C)cc(C)c1O)[C@@H](C)COC ZINC000853532675 637862329 /nfs/dbraw/zinc/86/23/29/637862329.db2.gz JQODLCDRLCZZHR-AWEZNQCLSA-N 1 1 263.381 3.032 20 30 CGEDMO C=CC[N@@H+](Cc1cc(C)c(C)cc1O)[C@@H](C)COC ZINC000853533125 637862413 /nfs/dbraw/zinc/86/24/13/637862413.db2.gz VJILVMCGWVGHKA-AWEZNQCLSA-N 1 1 263.381 3.032 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1C(=O)C[C@@H]1c1ccccc1 ZINC000853598139 637871358 /nfs/dbraw/zinc/87/13/58/637871358.db2.gz LVFSFYQVYDZFID-IXDOHACOSA-N 1 1 282.387 3.101 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1nccc1-c1ccncc1 ZINC000853598158 637871676 /nfs/dbraw/zinc/87/16/76/637871676.db2.gz MOYAFOBAPWERGN-IYBDPMFKSA-N 1 1 280.375 3.086 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1ccc(-c2nccs2)n1 ZINC000853598152 637871683 /nfs/dbraw/zinc/87/16/83/637871683.db2.gz MHZXDAPREVRICR-BETUJISGSA-N 1 1 286.404 3.147 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000887712084 637890617 /nfs/dbraw/zinc/89/06/17/637890617.db2.gz BPBQCQHFTQZNRP-GOSISDBHSA-N 1 1 298.430 3.124 20 30 CGEDMO CC[C@@H]([NH2+]Cc1c(C)noc1C)c1cccc(C#N)c1O ZINC000924782646 638403288 /nfs/dbraw/zinc/40/32/88/638403288.db2.gz PQLSFKGSWNOCDE-OAHLLOKOSA-N 1 1 285.347 3.110 20 30 CGEDMO C=CCN(CC=C)C(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000857144996 638461559 /nfs/dbraw/zinc/46/15/59/638461559.db2.gz ZASDZSMJDNHMMM-SFHVURJKSA-N 1 1 298.430 3.310 20 30 CGEDMO CC[C@@H]([NH2+]Cc1cccc(F)n1)c1cccc(C#N)c1O ZINC000925592020 638539931 /nfs/dbraw/zinc/53/99/31/638539931.db2.gz FMAJAIFZCHHBPA-CQSZACIVSA-N 1 1 285.322 3.039 20 30 CGEDMO C=CC[C@@H](Cc1ccccc1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000925692121 638569734 /nfs/dbraw/zinc/56/97/34/638569734.db2.gz PTIOVZUOVMMOTP-DLBZAZTESA-N 1 1 270.420 3.048 20 30 CGEDMO N#CCC[C@@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1ccccc1 ZINC000857857101 638579396 /nfs/dbraw/zinc/57/93/96/638579396.db2.gz AAKAZNHXDKYNOG-CVEARBPZSA-N 1 1 280.375 3.422 20 30 CGEDMO Cc1ccc(CN[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1C#N ZINC000925838779 638628204 /nfs/dbraw/zinc/62/82/04/638628204.db2.gz OAKMAYJDTOYGTR-RBUKOAKNSA-N 1 1 297.446 3.125 20 30 CGEDMO C#Cc1cccc(C[NH2+][C@@H]2CCCc3scnc32)c1 ZINC000858423639 638712503 /nfs/dbraw/zinc/71/25/03/638712503.db2.gz AVLVWLBGNJCSNI-CQSZACIVSA-N 1 1 268.385 3.292 20 30 CGEDMO C[C@@H]1C[C@H]([NH2+][C@@H](CCCC#N)c2ccccc2)c2ncnn21 ZINC000926479776 638775122 /nfs/dbraw/zinc/77/51/22/638775122.db2.gz MGERRMTWCPZSTR-KBMXLJTQSA-N 1 1 295.390 3.309 20 30 CGEDMO COCC[N@H+](Cc1ccccc1)CC1CCC(C#N)CC1 ZINC000929210583 638909263 /nfs/dbraw/zinc/90/92/63/638909263.db2.gz QRBNSORRDIMTJO-UHFFFAOYSA-N 1 1 286.419 3.465 20 30 CGEDMO COCC[N@H+](Cc1ccco1)CC1CCC(C#N)CC1 ZINC000929258080 638912858 /nfs/dbraw/zinc/91/28/58/638912858.db2.gz TZLBUBYXSZPIFS-UHFFFAOYSA-N 1 1 276.380 3.058 20 30 CGEDMO N#Cc1cncc(C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)c1 ZINC000929290186 638916075 /nfs/dbraw/zinc/91/60/75/638916075.db2.gz WGMWXEQLMBLLGC-SFHVURJKSA-N 1 1 295.361 3.299 20 30 CGEDMO COCC[N@@H+](CC1CCC(C#N)CC1)C1CCCC1 ZINC000929333456 638919205 /nfs/dbraw/zinc/91/92/05/638919205.db2.gz WMUVJWCQBGRHBK-UHFFFAOYSA-N 1 1 264.413 3.207 20 30 CGEDMO Cc1ccccc1C[N@@H+](Cc1cncc(C#N)c1)C1CC1 ZINC000929369126 638921755 /nfs/dbraw/zinc/92/17/55/638921755.db2.gz UFZDCZYYWYPGFE-UHFFFAOYSA-N 1 1 277.371 3.426 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN(C)C1CC[NH+](C(C)C)CC1 ZINC000929470842 638926916 /nfs/dbraw/zinc/92/69/16/638926916.db2.gz PXVUJNOVTQXTGO-UHFFFAOYSA-N 1 1 299.462 3.480 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](C)C1CCN(C(C)C)CC1 ZINC000929470842 638926918 /nfs/dbraw/zinc/92/69/18/638926918.db2.gz PXVUJNOVTQXTGO-UHFFFAOYSA-N 1 1 299.462 3.480 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+](C)C1CCN(C(C)C)CC1 ZINC000929470842 638926920 /nfs/dbraw/zinc/92/69/20/638926920.db2.gz PXVUJNOVTQXTGO-UHFFFAOYSA-N 1 1 299.462 3.480 20 30 CGEDMO N#CC1(CCCC[N@@H+]2CCCC[C@@H]2CCO)CCC1 ZINC000929519303 638929886 /nfs/dbraw/zinc/92/98/86/638929886.db2.gz IMAMYOWLVKDWBL-OAHLLOKOSA-N 1 1 264.413 3.087 20 30 CGEDMO CC[C@H](C)[C@H]1CCCC[N@H+]1Cc1cncc(C#N)c1 ZINC000929693829 638941864 /nfs/dbraw/zinc/94/18/64/638941864.db2.gz SKRPYZIAYFETFX-XJKSGUPXSA-N 1 1 257.381 3.354 20 30 CGEDMO CCN1CCC([N@@H+](C)Cc2c(C)cc(C#N)cc2C)CC1 ZINC000929778617 638949865 /nfs/dbraw/zinc/94/98/65/638949865.db2.gz JMLVXVZLZZISRW-UHFFFAOYSA-N 1 1 285.435 3.091 20 30 CGEDMO CC[NH+]1CCC(N(C)Cc2c(C)cc(C#N)cc2C)CC1 ZINC000929778617 638949871 /nfs/dbraw/zinc/94/98/71/638949871.db2.gz JMLVXVZLZZISRW-UHFFFAOYSA-N 1 1 285.435 3.091 20 30 CGEDMO N#CC1(CCCCN2CCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000929835677 638955971 /nfs/dbraw/zinc/95/59/71/638955971.db2.gz ORGWKRKLQHAJBI-UHFFFAOYSA-N 1 1 298.434 3.068 20 30 CGEDMO C[C@@H]1CC[N@@H+](CC2CCC(C#N)CC2)C[C@H]1n1ccnc1 ZINC000930055926 638971458 /nfs/dbraw/zinc/97/14/58/638971458.db2.gz UHGAXLOWUWSRGM-RDHHWEPZSA-N 1 1 286.423 3.096 20 30 CGEDMO N#CC1CCC(C[N@H+]2CC[C@@H](c3ccccn3)C2)CC1 ZINC000930317227 638990668 /nfs/dbraw/zinc/99/06/68/638990668.db2.gz YNIYQMFRXHEGNW-UYSNPLJNSA-N 1 1 269.392 3.201 20 30 CGEDMO CCCC(C)(C)[N@H+](Cc1cccs1)C[C@H](O)CC#N ZINC000930360597 638993207 /nfs/dbraw/zinc/99/32/07/638993207.db2.gz GULNSRJGIJCHMY-CYBMUJFWSA-N 1 1 280.437 3.403 20 30 CGEDMO Cc1noc([C@H]2CCC[N@H+]2CCCCC2(C#N)CCC2)n1 ZINC000930479804 639007893 /nfs/dbraw/zinc/00/78/93/639007893.db2.gz IQFBPLQADXPSTK-CQSZACIVSA-N 1 1 288.395 3.379 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000930497211 639010861 /nfs/dbraw/zinc/01/08/61/639010861.db2.gz LDJATBGSOKVQMM-HNNXBMFYSA-N 1 1 288.435 3.357 20 30 CGEDMO N#CC1CCC(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)CC1 ZINC000930521837 639017097 /nfs/dbraw/zinc/01/70/97/639017097.db2.gz LPLAEAPQTSBPED-BACDZXNISA-N 1 1 288.435 3.350 20 30 CGEDMO CN(C)c1ncc(C[N@H+](C)CC(C)(C)C#N)c2ccccc21 ZINC000930567980 639027525 /nfs/dbraw/zinc/02/75/25/639027525.db2.gz MOSMCHLCQXNZDI-UHFFFAOYSA-N 1 1 296.418 3.282 20 30 CGEDMO CN(C)c1ncc(C[N@@H+](C)CC(C)(C)C#N)c2ccccc21 ZINC000930567980 639027527 /nfs/dbraw/zinc/02/75/27/639027527.db2.gz MOSMCHLCQXNZDI-UHFFFAOYSA-N 1 1 296.418 3.282 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)CC1(C)C ZINC000930639940 639043842 /nfs/dbraw/zinc/04/38/42/639043842.db2.gz RSMWKACVKLSCNV-OAHLLOKOSA-N 1 1 292.810 3.459 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)CC1(C)C ZINC000930639939 639044047 /nfs/dbraw/zinc/04/40/47/639044047.db2.gz RSMWKACVKLSCNV-HNNXBMFYSA-N 1 1 292.810 3.459 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCC[C@@H]2CC2CCCC2)c1 ZINC000930893049 639083272 /nfs/dbraw/zinc/08/32/72/639083272.db2.gz UTGSMRYWFFEXNO-QGZVFWFLSA-N 1 1 269.392 3.498 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2nc(C(C)C)ns2)C1 ZINC000931162920 639119342 /nfs/dbraw/zinc/11/93/42/639119342.db2.gz GSLZALNLZAJACH-NSHDSACASA-N 1 1 251.399 3.060 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2nc(C(C)C)ns2)C1 ZINC000931162920 639119348 /nfs/dbraw/zinc/11/93/48/639119348.db2.gz GSLZALNLZAJACH-NSHDSACASA-N 1 1 251.399 3.060 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cncc(C(F)(F)F)c2)C1 ZINC000859446179 639142744 /nfs/dbraw/zinc/14/27/44/639142744.db2.gz WIVWTJXFNCMCEL-LLVKDONJSA-N 1 1 270.298 3.498 20 30 CGEDMO N#Cc1cccc(C[NH+]2CCC(c3ncco3)CC2)c1F ZINC000931446600 639150786 /nfs/dbraw/zinc/15/07/86/639150786.db2.gz LQSORZYZLZWBSJ-UHFFFAOYSA-N 1 1 285.322 3.065 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)s1 ZINC000859587951 639168974 /nfs/dbraw/zinc/16/89/74/639168974.db2.gz CQEFPBRQJPBFKV-KRWDZBQOSA-N 1 1 298.411 3.103 20 30 CGEDMO CC[N@@H+](CC1CCC(C#N)CC1)[C@@H](CO)c1ccccc1 ZINC000931701341 639191465 /nfs/dbraw/zinc/19/14/65/639191465.db2.gz QBQLOIUMDRHBCI-HTWSVDAQSA-N 1 1 286.419 3.372 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](c2noc(C)n2)C1 ZINC000931945302 639240573 /nfs/dbraw/zinc/24/05/73/639240573.db2.gz CIUIEACDDONXHP-ZDUSSCGKSA-N 1 1 251.374 3.138 20 30 CGEDMO C[C@@H](C[N@@H+](C)CCCC(C)(C)C#N)NC(=O)OC(C)(C)C ZINC000860093515 639280717 /nfs/dbraw/zinc/28/07/17/639280717.db2.gz CNVXWZNLGUGIPN-ZDUSSCGKSA-N 1 1 297.443 3.161 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@H]1[C@H](C)c1ccccc1 ZINC000932276575 639309733 /nfs/dbraw/zinc/30/97/33/639309733.db2.gz PIZCOZXYXCAQGY-INMHGKMJSA-N 1 1 272.392 3.183 20 30 CGEDMO CC(C)C[N@@H+](Cc1ccccn1)[C@@H]1CC[C@@H](C#N)C1 ZINC000932448554 639334416 /nfs/dbraw/zinc/33/44/16/639334416.db2.gz BQIJALBGFPWGAR-GDBMZVCRSA-N 1 1 257.381 3.232 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000932699690 639374564 /nfs/dbraw/zinc/37/45/64/639374564.db2.gz LYWRKOAQPZHTQZ-AWEZNQCLSA-N 1 1 282.428 3.189 20 30 CGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2C[C@H](C3CC3)C[C@@H]2C2CC2)cc1 ZINC000932894642 639394658 /nfs/dbraw/zinc/39/46/58/639394658.db2.gz ZGISQWRCPMNCPS-QRVBRYPASA-N 1 1 296.414 3.102 20 30 CGEDMO C#CC[N@H+](CCC[C@H](C)O)[C@@H]1CCCc2ccccc21 ZINC000933417097 639448901 /nfs/dbraw/zinc/44/89/01/639448901.db2.gz FTBALRQKIDTWLA-MAUKXSAKSA-N 1 1 271.404 3.160 20 30 CGEDMO C=CC1(CC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)CCCCC1 ZINC000933433507 639449709 /nfs/dbraw/zinc/44/97/09/639449709.db2.gz DVDASONOPMUTEB-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO CC(C)=CCC[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933630314 639472435 /nfs/dbraw/zinc/47/24/35/639472435.db2.gz HDHJNWXQCPPLKN-KRWDZBQOSA-N 1 1 270.376 3.288 20 30 CGEDMO CC(C)=CCC[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933630314 639472437 /nfs/dbraw/zinc/47/24/37/639472437.db2.gz HDHJNWXQCPPLKN-KRWDZBQOSA-N 1 1 270.376 3.288 20 30 CGEDMO C=C/C=C/CC[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933632623 639472439 /nfs/dbraw/zinc/47/24/39/639472439.db2.gz SFXNVCSTHXJUEX-IDOMTICXSA-N 1 1 268.360 3.064 20 30 CGEDMO C=C/C=C/CC[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933632623 639472440 /nfs/dbraw/zinc/47/24/40/639472440.db2.gz SFXNVCSTHXJUEX-IDOMTICXSA-N 1 1 268.360 3.064 20 30 CGEDMO CC(=O)[C@@](C#N)(CC[N@H+]1C[C@@H]2CCC[C@@H]2C1)c1ccccc1 ZINC000934344634 639593320 /nfs/dbraw/zinc/59/33/20/639593320.db2.gz FMMBZZDBKPNVSE-SCTDSRPQSA-N 1 1 296.414 3.159 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000934465496 639612949 /nfs/dbraw/zinc/61/29/49/639612949.db2.gz MFXGLYFITHUCGR-ZDUSSCGKSA-N 1 1 278.302 3.310 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000934465496 639612958 /nfs/dbraw/zinc/61/29/58/639612958.db2.gz MFXGLYFITHUCGR-ZDUSSCGKSA-N 1 1 278.302 3.310 20 30 CGEDMO C=CCCC[N@@H+](CC)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000934645830 639648624 /nfs/dbraw/zinc/64/86/24/639648624.db2.gz FGQVUIWKVUCXEM-MRXNPFEDSA-N 1 1 286.375 3.060 20 30 CGEDMO C=CCCC[N@H+](CC)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000934645830 639648634 /nfs/dbraw/zinc/64/86/34/639648634.db2.gz FGQVUIWKVUCXEM-MRXNPFEDSA-N 1 1 286.375 3.060 20 30 CGEDMO C=CCCC[N@H+](CC)CCC(=O)Nc1cc(N)ccc1F ZINC000934644341 639648990 /nfs/dbraw/zinc/64/89/90/639648990.db2.gz AEIVTPPMZSJTGC-UHFFFAOYSA-N 1 1 293.386 3.025 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000934873976 639694011 /nfs/dbraw/zinc/69/40/11/639694011.db2.gz ICQLWDSODMUBAY-IRXDYDNUSA-N 1 1 299.418 3.468 20 30 CGEDMO C=C(C)c1cccc(NC(=O)NCC[N@@H+]2CC=CCC2)c1 ZINC000934883708 639700696 /nfs/dbraw/zinc/70/06/96/639700696.db2.gz XINKRALLULMVNY-UHFFFAOYSA-N 1 1 285.391 3.103 20 30 CGEDMO C=CC1(CC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)CCCCC1 ZINC000935311531 639786263 /nfs/dbraw/zinc/78/62/63/639786263.db2.gz DGSCOGKAMXJNCK-OAHLLOKOSA-N 1 1 290.451 3.280 20 30 CGEDMO C#CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000155857404 639954114 /nfs/dbraw/zinc/95/41/14/639954114.db2.gz ZZEDAAOWLNTSJX-UHFFFAOYSA-N 1 1 276.311 3.112 20 30 CGEDMO C#CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000155857404 639954120 /nfs/dbraw/zinc/95/41/20/639954120.db2.gz ZZEDAAOWLNTSJX-UHFFFAOYSA-N 1 1 276.311 3.112 20 30 CGEDMO C#CC[N@H+](CCCCCn1cc(C)cn1)C1CCCC1 ZINC000155906171 639956276 /nfs/dbraw/zinc/95/62/76/639956276.db2.gz GJIKRLRKBNPSLF-UHFFFAOYSA-N 1 1 273.424 3.240 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000075604477 640146724 /nfs/dbraw/zinc/14/67/24/640146724.db2.gz UXZJEZXWHJOLDU-UHFFFAOYSA-N 1 1 297.354 3.309 20 30 CGEDMO CC(C)[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000079342174 640394998 /nfs/dbraw/zinc/39/49/98/640394998.db2.gz FSTCLQFKTBRSOO-AEFFLSMTSA-N 1 1 286.419 3.350 20 30 CGEDMO C#CC[N@H+](CCOCC(F)(F)F)[C@@H]1CCc2ccccc21 ZINC000194308566 640526226 /nfs/dbraw/zinc/52/62/26/640526226.db2.gz LPDCIRJGBSSTDO-OAHLLOKOSA-N 1 1 297.320 3.188 20 30 CGEDMO C#CC[N@@H+](CCO[C@@H]1CCCCO1)[C@@H]1CCc2ccccc21 ZINC000195234736 640574567 /nfs/dbraw/zinc/57/45/67/640574567.db2.gz VBPAMCVCJPBIHX-RTBURBONSA-N 1 1 299.414 3.152 20 30 CGEDMO C#CCCOc1ccc(C[N@H+](C)Cc2cccn2C)cc1 ZINC000093584659 640776650 /nfs/dbraw/zinc/77/66/50/640776650.db2.gz ICNSARSTYHMIOJ-UHFFFAOYSA-N 1 1 282.387 3.059 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2ccoc2Cl)C1 ZINC001007219406 640928416 /nfs/dbraw/zinc/92/84/16/640928416.db2.gz GUFDRUGPPOECMU-LBPRGKRZSA-N 1 1 296.798 3.093 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)C=C2CCCCC2)C1 ZINC001006866158 640937978 /nfs/dbraw/zinc/93/79/78/640937978.db2.gz ULUJDSHZRHSYCT-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)C=C2CCCCC2)C1 ZINC001006866159 640938414 /nfs/dbraw/zinc/93/84/14/640938414.db2.gz ULUJDSHZRHSYCT-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2occc2Cl)C1 ZINC001008431329 640950277 /nfs/dbraw/zinc/95/02/77/640950277.db2.gz WZZQBSMNOAYGTP-LBPRGKRZSA-N 1 1 296.798 3.093 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001009287634 640957383 /nfs/dbraw/zinc/95/73/83/640957383.db2.gz MFWYAIDKOSAPJQ-BRWVUGGUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2sccc2C2CC2)C1 ZINC001009428908 640958863 /nfs/dbraw/zinc/95/88/63/640958863.db2.gz ZPPJAEXQXGQCPN-ZDUSSCGKSA-N 1 1 290.432 3.006 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](NC(=O)c2sccc2C2CC2)C1 ZINC001009428908 640958867 /nfs/dbraw/zinc/95/88/67/640958867.db2.gz ZPPJAEXQXGQCPN-ZDUSSCGKSA-N 1 1 290.432 3.006 20 30 CGEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC001009632422 640960604 /nfs/dbraw/zinc/96/06/04/640960604.db2.gz RQXJYRUZNRVBDJ-QAPCUYQASA-N 1 1 298.430 3.028 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC001009632422 640960606 /nfs/dbraw/zinc/96/06/06/640960606.db2.gz RQXJYRUZNRVBDJ-QAPCUYQASA-N 1 1 298.430 3.028 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)CC2=CCCCC2)C1 ZINC001010383359 640967836 /nfs/dbraw/zinc/96/78/36/640967836.db2.gz VGTGLZAZHHLWQZ-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2C)C1 ZINC001015649129 640983388 /nfs/dbraw/zinc/98/33/88/640983388.db2.gz PHBRNIHMNKOMCB-AWEZNQCLSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2c(C)cccc2C)C1 ZINC001015741848 640985211 /nfs/dbraw/zinc/98/52/11/640985211.db2.gz PFBRCOYKAPBDJZ-INIZCTEOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)CCC=C3)C1 ZINC001016010310 640989816 /nfs/dbraw/zinc/98/98/16/640989816.db2.gz ZRFZROYUPYLNNJ-SFHVURJKSA-N 1 1 296.414 3.026 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)C2(C3CCCCC3)CC2)C1 ZINC001016128687 640992742 /nfs/dbraw/zinc/99/27/42/640992742.db2.gz NIKWYXXTTNWGJS-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccc(Cl)s2)C1 ZINC001016172526 640992910 /nfs/dbraw/zinc/99/29/10/640992910.db2.gz ZAZVRQPLKZITCN-NSHDSACASA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001016316288 640994455 /nfs/dbraw/zinc/99/44/55/640994455.db2.gz LQNYMJVRJHTLNP-SJLPKXTDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cccc(C3CC3)c2)C1 ZINC001016356512 640995370 /nfs/dbraw/zinc/99/53/70/640995370.db2.gz JMGOGTBQWIUAEP-SFHVURJKSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC1CCCC1 ZINC001017316908 641011577 /nfs/dbraw/zinc/01/15/77/641011577.db2.gz PUQAJVDYHHGKHJ-CALCHBBNSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H](C)C1 ZINC001017864715 641016864 /nfs/dbraw/zinc/01/68/64/641016864.db2.gz MNGGLMMLHGDQFI-VVLHAWIVSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H](C)C1 ZINC001017864715 641016865 /nfs/dbraw/zinc/01/68/65/641016865.db2.gz MNGGLMMLHGDQFI-VVLHAWIVSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[C@H](C)C1 ZINC001017821742 641017038 /nfs/dbraw/zinc/01/70/38/641017038.db2.gz GYXVXEZWWVVQNA-LUKYLMHMSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C)c1C ZINC001018229419 641020953 /nfs/dbraw/zinc/02/09/53/641020953.db2.gz GXQONYYKJZOLCF-CALCHBBNSA-N 1 1 298.430 3.168 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H](C)C[N@H+](C)CCC(C)C ZINC001569118264 961694704 /nfs/dbraw/zinc/69/47/04/961694704.db2.gz BVJHYTGVMGUPRE-AWEZNQCLSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1ccc2cc[nH]c2c1 ZINC001155460261 805583387 /nfs/dbraw/zinc/58/33/87/805583387.db2.gz HCAMLTUSZBCDMB-CQSZACIVSA-N 1 1 299.418 3.184 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)CCCCC ZINC001155654501 805600418 /nfs/dbraw/zinc/60/04/18/805600418.db2.gz QNQHPYDAUWZINO-IAGOWNOFSA-N 1 1 294.483 3.443 20 30 CGEDMO Cc1cc2c(nc[nH+]c2NC(C)(C)c2ccc(C#N)cc2)[nH]1 ZINC001156430066 805691310 /nfs/dbraw/zinc/69/13/10/805691310.db2.gz OEIIDRBWCQSGEB-UHFFFAOYSA-N 1 1 291.358 3.485 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)C[C@H](CC)C(C)C ZINC001156486134 805701797 /nfs/dbraw/zinc/70/17/97/805701797.db2.gz CXOPUAIGNOUINZ-CABCVRRESA-N 1 1 268.445 3.071 20 30 CGEDMO CC(C)[N@@H+](C)[C@H]1CCN(c2cc(C#N)c3ccccc3n2)C1 ZINC001157018922 805766982 /nfs/dbraw/zinc/76/69/82/805766982.db2.gz BAALRPCNJJEGKJ-HNNXBMFYSA-N 1 1 294.402 3.025 20 30 CGEDMO C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCCC(C)(C)C ZINC001157702367 805854935 /nfs/dbraw/zinc/85/49/35/805854935.db2.gz RHLOGIJIFRYTGB-MRXNPFEDSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCC1CC1 ZINC001157723355 805857322 /nfs/dbraw/zinc/85/73/22/805857322.db2.gz WSOUQHNSUNDJIP-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCC1CC1 ZINC001157723041 805857702 /nfs/dbraw/zinc/85/77/02/805857702.db2.gz QLPDSKMGQUMSEX-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)/C=C/C1CC1 ZINC001157754375 805861425 /nfs/dbraw/zinc/86/14/25/805861425.db2.gz FITHQSFKQFVQBV-OAGJVSPASA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CC1CCC1 ZINC001157768372 805866348 /nfs/dbraw/zinc/86/63/48/805866348.db2.gz GVCZJYUSQRINRD-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO Cc1[nH+]c(N[C@@H]2CCNc3ccccc32)ccc1CC#N ZINC001157837559 805883578 /nfs/dbraw/zinc/88/35/78/805883578.db2.gz RCLWRVCFWPPLAX-MRXNPFEDSA-N 1 1 278.359 3.425 20 30 CGEDMO C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)CC(C)C ZINC001158674097 805982739 /nfs/dbraw/zinc/98/27/39/805982739.db2.gz TWYZDARYKAPMJT-IAGOWNOFSA-N 1 1 292.467 3.005 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@@H]1COC ZINC001252121090 806007562 /nfs/dbraw/zinc/00/75/62/806007562.db2.gz CELHAYOWIZBIBW-CVEARBPZSA-N 1 1 271.445 3.209 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCOCC12CCC2 ZINC001252130525 806015310 /nfs/dbraw/zinc/01/53/10/806015310.db2.gz SMFQDHDZIIOCSB-MRXNPFEDSA-N 1 1 283.456 3.353 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCOC[C@H](C)C1 ZINC001252125006 806014175 /nfs/dbraw/zinc/01/41/75/806014175.db2.gz VNCJTIWLEGWKEI-CVEARBPZSA-N 1 1 271.445 3.066 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@H]1C(C)=O ZINC001252132746 806018354 /nfs/dbraw/zinc/01/83/54/806018354.db2.gz KROBAWQJSUKTEL-CVEARBPZSA-N 1 1 269.429 3.151 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)C[C@@H]2C=CCC2)CC1 ZINC001159225827 806061591 /nfs/dbraw/zinc/06/15/91/806061591.db2.gz RRAQGBBSCCTZPI-QGZVFWFLSA-N 1 1 288.435 3.057 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1CCC[C@H]1c1cc(F)ccc1F ZINC001252555677 806063208 /nfs/dbraw/zinc/06/32/08/806063208.db2.gz ZXOZXGMTDFDBTF-GJZGRUSLSA-N 1 1 267.319 3.039 20 30 CGEDMO C=C[C@](C)(O)C[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC001252555437 806063503 /nfs/dbraw/zinc/06/35/03/806063503.db2.gz VCUYNABFASHDRA-ZDUSSCGKSA-N 1 1 273.298 3.074 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1CCC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC001252560419 806066091 /nfs/dbraw/zinc/06/60/91/806066091.db2.gz ROMLJEADFHPMSD-CVEARBPZSA-N 1 1 295.810 3.120 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[N@@H+](C)CC(C)=O ZINC001252980737 806145675 /nfs/dbraw/zinc/14/56/75/806145675.db2.gz YQRDRIBNSWWOJK-MRXNPFEDSA-N 1 1 271.445 3.399 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[N@H+]1CC[C@H](CO)C1 ZINC001252986070 806146881 /nfs/dbraw/zinc/14/68/81/806146881.db2.gz SDYAGRKMJQNLNA-IRXDYDNUSA-N 1 1 285.472 3.192 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)C2=CCCC2)CC1 ZINC001159836373 806183712 /nfs/dbraw/zinc/18/37/12/806183712.db2.gz ZCMZHVRPQJMBKK-UHFFFAOYSA-N 1 1 288.435 3.201 20 30 CGEDMO C=CCCCCCC[C@H](O)CNc1[nH+]cc(O)cc1C ZINC001253227002 806184092 /nfs/dbraw/zinc/18/40/92/806184092.db2.gz DJCDVDNSGHBTBV-AWEZNQCLSA-N 1 1 278.396 3.395 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1C[C@@H](C)[C@@H](F)C1 ZINC001253234314 806188586 /nfs/dbraw/zinc/18/85/86/806188586.db2.gz YUEGCQGCAKDFKN-ILXRZTDVSA-N 1 1 257.393 3.164 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+](CCC)CCOC ZINC001253228867 806185796 /nfs/dbraw/zinc/18/57/96/806185796.db2.gz YIMMLDZZVJWFRP-MRXNPFEDSA-N 1 1 271.445 3.232 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1CCCC[C@@](C)(O)C1 ZINC001253233444 806187313 /nfs/dbraw/zinc/18/73/13/806187313.db2.gz FOPCZEWXHRETJR-IAGOWNOFSA-N 1 1 283.456 3.111 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCC[C@@]12CCOC2 ZINC001253240280 806189921 /nfs/dbraw/zinc/18/99/21/806189921.db2.gz IPEWTLIDLNRQGC-SJORKVTESA-N 1 1 281.440 3.129 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001253240237 806189932 /nfs/dbraw/zinc/18/99/32/806189932.db2.gz HOEMHOQLQGGCHB-DLBZAZTESA-N 1 1 281.440 3.129 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+](C)Cc1cc(C)nn1C ZINC001253239984 806190277 /nfs/dbraw/zinc/19/02/77/806190277.db2.gz WQXWZSKRIDGEFW-QGZVFWFLSA-N 1 1 293.455 3.048 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+](C)C[C@@H]1CCCCO1 ZINC001253239554 806190341 /nfs/dbraw/zinc/19/03/41/806190341.db2.gz NPMJFURWOFOVCL-SJORKVTESA-N 1 1 283.456 3.375 20 30 CGEDMO C=CCCCCCC[C@H](O)C[NH+]1CCN(CCCC)CC1 ZINC001253239582 806190348 /nfs/dbraw/zinc/19/03/48/806190348.db2.gz OBTXGTIFZXJYDT-SFHVURJKSA-N 1 1 296.499 3.292 20 30 CGEDMO C=CCCCCCC[C@H](O)CN1CCC[N@H+]2CCC[C@H]2C1 ZINC001253239749 806190541 /nfs/dbraw/zinc/19/05/41/806190541.db2.gz RTNJLOXGZKHTLR-ROUUACIJSA-N 1 1 294.483 3.044 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC001253241520 806192900 /nfs/dbraw/zinc/19/29/00/806192900.db2.gz XJIKGRSVNJLMDV-QZTJIDSGSA-N 1 1 295.467 3.376 20 30 CGEDMO C=CCCCCCC[C@@H](O)CN1CC[C@@H]([N@H+](C)C(C)C)C1 ZINC001253243165 806193621 /nfs/dbraw/zinc/19/36/21/806193621.db2.gz SJDQLVLPHMKNNB-QZTJIDSGSA-N 1 1 296.499 3.288 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CC[C@@H](N(C)C(C)C)C1 ZINC001253243165 806193626 /nfs/dbraw/zinc/19/36/26/806193626.db2.gz SJDQLVLPHMKNNB-QZTJIDSGSA-N 1 1 296.499 3.288 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1CC[C@@H](N(C)C(C)C)C1 ZINC001253243165 806193630 /nfs/dbraw/zinc/19/36/30/806193630.db2.gz SJDQLVLPHMKNNB-QZTJIDSGSA-N 1 1 296.499 3.288 20 30 CGEDMO C=CCOc1ccccc1[C@@H](C)Nc1[nH+]cccc1N ZINC001160181304 806232368 /nfs/dbraw/zinc/23/23/68/806232368.db2.gz PGSZUVZAUVDJQM-GFCCVEGCSA-N 1 1 269.348 3.402 20 30 CGEDMO C=C[C@@H](O)C[N@H+](C)C(c1ccccc1)c1ccccc1 ZINC001253567215 806260951 /nfs/dbraw/zinc/26/09/51/806260951.db2.gz LONAXNMGEIUWPU-QGZVFWFLSA-N 1 1 267.372 3.255 20 30 CGEDMO C=C[C@H](O)C[N@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC001253579077 806263342 /nfs/dbraw/zinc/26/33/42/806263342.db2.gz MKWMRTNRUGEDMB-HKUYNNGSSA-N 1 1 279.383 3.181 20 30 CGEDMO C=C[C@@H](O)C[N@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC001253584116 806263512 /nfs/dbraw/zinc/26/35/12/806263512.db2.gz JWQOEQIAZJOBIV-ZIAGYGMSSA-N 1 1 296.208 3.133 20 30 CGEDMO C=C[C@H](O)CNc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC001253591140 806266647 /nfs/dbraw/zinc/26/66/47/806266647.db2.gz SIZUULXJZYIKAW-INIZCTEOSA-N 1 1 285.391 3.014 20 30 CGEDMO C=C[C@@H](O)C[N@H+](C)[C@H](C)c1cccc2ccccc21 ZINC001253587087 806265335 /nfs/dbraw/zinc/26/53/35/806265335.db2.gz YWWATSBNDFMQBR-UKRRQHHQSA-N 1 1 255.361 3.380 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)C[C@@H]2CC=CCC2)CC1 ZINC001160882346 806315969 /nfs/dbraw/zinc/31/59/69/806315969.db2.gz LLXBPMRIMZZFLG-QGZVFWFLSA-N 1 1 288.435 3.057 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1cnc2cccc(C)c2n1 ZINC001160952844 806325758 /nfs/dbraw/zinc/32/57/58/806325758.db2.gz FFMDSMMUGDOLBN-AWEZNQCLSA-N 1 1 282.391 3.001 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1CNc1ccnc(-c2ccccc2)n1 ZINC001160953138 806328352 /nfs/dbraw/zinc/32/83/52/806328352.db2.gz SMZGBEZEXWVTAX-INIZCTEOSA-N 1 1 294.402 3.206 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[C@H](C)C2)CC1 ZINC001161390834 806373008 /nfs/dbraw/zinc/37/30/08/806373008.db2.gz LEEPXGMQEWHRIC-DOTOQJQBSA-N 1 1 290.451 3.137 20 30 CGEDMO N#CCC[N@@H+]([C@@H]1CCCOC1)C1CCCCCCC1 ZINC001254384937 806390989 /nfs/dbraw/zinc/39/09/89/806390989.db2.gz VPEKRQDFCYYZIF-MRXNPFEDSA-N 1 1 264.413 3.494 20 30 CGEDMO O=C1C=C2C[N@@H+](C3CCc4ccccc4CC3)CCC2S1 ZINC001254458261 806409251 /nfs/dbraw/zinc/40/92/51/806409251.db2.gz NWCJPSBLYRWWTD-KRWDZBQOSA-N 1 1 299.439 3.208 20 30 CGEDMO C#C[C@H]1CCC[N@H+](C2CCc3ccccc3CC2)C1 ZINC001254462344 806411844 /nfs/dbraw/zinc/41/18/44/806411844.db2.gz YUUXHBRAVDQDRD-HNNXBMFYSA-N 1 1 253.389 3.279 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)C[C@H](C)CC(C)C)CC1 ZINC001161688726 806420773 /nfs/dbraw/zinc/42/07/73/806420773.db2.gz QAMZAEQCKHZASQ-MRXNPFEDSA-N 1 1 292.467 3.383 20 30 CGEDMO C[C@]1(c2ccc(F)cc2)C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CCO1 ZINC001254671614 806481711 /nfs/dbraw/zinc/48/17/11/806481711.db2.gz SMCYLHTWCJYELA-KBRIMQKVSA-N 1 1 288.366 3.065 20 30 CGEDMO C[C@]1(c2ccc(F)cc2)C[N@H+]([C@@H]2CC[C@@H](C#N)C2)CCO1 ZINC001254671614 806481715 /nfs/dbraw/zinc/48/17/15/806481715.db2.gz SMCYLHTWCJYELA-KBRIMQKVSA-N 1 1 288.366 3.065 20 30 CGEDMO Cc1ccc([C@@H]2CCC[N@H+]2[C@H]2CC[C@H](C#N)C2)cn1 ZINC001254672462 806482187 /nfs/dbraw/zinc/48/21/87/806482187.db2.gz BKXRYDYCXUDJGA-BPUTZDHNSA-N 1 1 255.365 3.219 20 30 CGEDMO C[N@@H+](CC/C=C/c1cccnc1)[C@H]1CC[C@H](C#N)C1 ZINC001254674410 806483213 /nfs/dbraw/zinc/48/32/13/806483213.db2.gz YPFQXTJKJVXQQO-QJYJJXRGSA-N 1 1 255.365 3.109 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCSc3ccccc3C2)C1 ZINC001254674414 806483535 /nfs/dbraw/zinc/48/35/35/806483535.db2.gz YTOURUFFIYHUAV-TZMCWYRMSA-N 1 1 258.390 3.287 20 30 CGEDMO C[C@H]1CN([C@H]2CC[C@@H](C#N)C2)CC[N@H+]1C1CCCCC1 ZINC001254675123 806483751 /nfs/dbraw/zinc/48/37/51/806483751.db2.gz BZORKIVDCKSLIT-UXLLHSPISA-N 1 1 275.440 3.017 20 30 CGEDMO CC[N@@H+](CCc1ccc(OC)cc1)[C@H]1CC[C@@H](C#N)C1 ZINC001254677823 806485332 /nfs/dbraw/zinc/48/53/32/806485332.db2.gz WUCPAALRLWHZIA-CVEARBPZSA-N 1 1 272.392 3.252 20 30 CGEDMO C[C@@H](C#N)N(C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255151833 806555799 /nfs/dbraw/zinc/55/57/99/806555799.db2.gz YMKADVLOWKQSCP-OWLYRPNTSA-N 1 1 283.419 3.026 20 30 CGEDMO CC[C@H](CC#N)[NH+]1CCC(Oc2ccccc2OC)CC1 ZINC001255173882 806567588 /nfs/dbraw/zinc/56/75/88/806567588.db2.gz FUDMWRGQEPDDIX-CQSZACIVSA-N 1 1 288.391 3.231 20 30 CGEDMO CC[C@H](CC#N)[NH2+][C@H](c1ccccc1OC)C1CC1 ZINC001255164501 806562500 /nfs/dbraw/zinc/56/25/00/806562500.db2.gz NCSPWBWQAKCROI-CJNGLKHVSA-N 1 1 258.365 3.428 20 30 CGEDMO CC[C@@H](CC#N)[N@H+]1CC[C@]2(c3ccccc3OC2=O)C1(C)C ZINC001255178167 806569883 /nfs/dbraw/zinc/56/98/83/806569883.db2.gz BOLVBWZWOLYFPQ-SCLBCKFNSA-N 1 1 298.386 3.020 20 30 CGEDMO CC[C@H](CC#N)[N@@H+](Cc1ccccc1)[C@H](C)CC(=O)OC ZINC001255176468 806570685 /nfs/dbraw/zinc/57/06/85/806570685.db2.gz AYDCJLOEOXYWOZ-GDBMZVCRSA-N 1 1 288.391 3.132 20 30 CGEDMO CC[C@H](CC#N)[N@H+]1CC[C@H](c2cccc(OC)c2)C1 ZINC001255179851 806571864 /nfs/dbraw/zinc/57/18/64/806571864.db2.gz SKJLEAQABVTZTC-LSDHHAIUSA-N 1 1 258.365 3.177 20 30 CGEDMO CC[C@@H](CC#N)[N@@H+]1CCCc2ccc(OC)cc2C1 ZINC001255180281 806572230 /nfs/dbraw/zinc/57/22/30/806572230.db2.gz ZQJXXISDLILADV-HNNXBMFYSA-N 1 1 258.365 3.136 20 30 CGEDMO CC[C@@H](CC#N)[N@H+]1CCCc2ccc(OC)cc2C1 ZINC001255180281 806572235 /nfs/dbraw/zinc/57/22/35/806572235.db2.gz ZQJXXISDLILADV-HNNXBMFYSA-N 1 1 258.365 3.136 20 30 CGEDMO C#CC1(Nc2[nH+]cnc3[nH]cc(C)c32)CCCCC1 ZINC001162480467 806596309 /nfs/dbraw/zinc/59/63/09/806596309.db2.gz SBSVZRDRMLXEHQ-UHFFFAOYSA-N 1 1 254.337 3.014 20 30 CGEDMO C[N@H+]1CCC[C@@H](N(CCC#N)Cc2ccc(Cl)cc2)C1 ZINC001255490422 806649892 /nfs/dbraw/zinc/64/98/92/806649892.db2.gz VNGKRZJJGAKQNW-MRXNPFEDSA-N 1 1 291.826 3.150 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](C2CCC(C(F)(F)F)CC2)C1 ZINC001255520986 806661359 /nfs/dbraw/zinc/66/13/59/806661359.db2.gz PKPHBQVLJUDQDT-UNXYVOJBSA-N 1 1 260.303 3.343 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](C2CCC(C(F)(F)F)CC2)C1 ZINC001255520986 806661360 /nfs/dbraw/zinc/66/13/60/806661360.db2.gz PKPHBQVLJUDQDT-UNXYVOJBSA-N 1 1 260.303 3.343 20 30 CGEDMO C[C@H](C1CC1)[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC000036785339 798851071 /nfs/dbraw/zinc/85/10/71/798851071.db2.gz BVUDMRPTRCBAQK-CYBMUJFWSA-N 1 1 258.365 3.057 20 30 CGEDMO C[C@@H]([NH2+]CC(C)(C)C#N)c1cnc2ccsc2c1 ZINC000122305806 798990138 /nfs/dbraw/zinc/99/01/38/798990138.db2.gz BXCLVWVXLOZLGY-SNVBAGLBSA-N 1 1 259.378 3.497 20 30 CGEDMO C=CCc1cc(C[N@H+]2CCC[C@@H](C)C2)c(O)c(OC)c1 ZINC000125223893 799000382 /nfs/dbraw/zinc/00/03/82/799000382.db2.gz HTBRZVFKPFEGAP-CYBMUJFWSA-N 1 1 275.392 3.361 20 30 CGEDMO C[C@]1(C#N)CC[N@H+]([C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC001255723538 806720097 /nfs/dbraw/zinc/72/00/97/806720097.db2.gz NLUYNUCIHNBJEW-QJPTWQEYSA-N 1 1 260.303 3.343 20 30 CGEDMO Cc1cc(C#N)c(N[C@@H]2CC[N@H+](C(C)C)C[C@H]2C)nc1C ZINC001163361622 806746653 /nfs/dbraw/zinc/74/66/53/806746653.db2.gz JRXVXUJHDCRNGT-CZUORRHYSA-N 1 1 286.423 3.101 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](Nc2cc(C#N)cc(Cl)n2)[C@H](C)C1 ZINC001163358597 806746725 /nfs/dbraw/zinc/74/67/25/806746725.db2.gz VFMPHNLGTIXDMO-DGCLKSJQSA-N 1 1 292.814 3.137 20 30 CGEDMO C=CC[N@@H+]([C@@H](C)CS(=O)(=O)c1ccccc1)C(C)(C)C ZINC001255828666 806760239 /nfs/dbraw/zinc/76/02/39/806760239.db2.gz XEPORORPWCENLH-AWEZNQCLSA-N 1 1 295.448 3.135 20 30 CGEDMO C=CC[N@H+]([C@@H](C)CS(=O)(=O)c1ccccc1)C(C)(C)C ZINC001255828666 806760242 /nfs/dbraw/zinc/76/02/42/806760242.db2.gz XEPORORPWCENLH-AWEZNQCLSA-N 1 1 295.448 3.135 20 30 CGEDMO CC(C)C[N@H+](CCC#N)CCOCC1CCCC1 ZINC000693119083 799807316 /nfs/dbraw/zinc/80/73/16/799807316.db2.gz BZFGBCDABNGXTK-UHFFFAOYSA-N 1 1 252.402 3.065 20 30 CGEDMO C[C@@H]1CCCC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000703238929 799920018 /nfs/dbraw/zinc/92/00/18/799920018.db2.gz AIERRWLHKZVGFL-OAHLLOKOSA-N 1 1 272.392 3.449 20 30 CGEDMO CC[C@@H](CC#N)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716624554 800176863 /nfs/dbraw/zinc/17/68/63/800176863.db2.gz IHLVLWWNHDNZAM-OKYOBFRVSA-N 1 1 297.446 3.321 20 30 CGEDMO C=CCC1(O)CC[NH+](Cc2ccsc2Cl)CC1 ZINC000717442300 800201950 /nfs/dbraw/zinc/20/19/50/800201950.db2.gz ODUUUZUTZKPIHC-UHFFFAOYSA-N 1 1 271.813 3.305 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCC[C@H]2C2CCCC2)c1 ZINC000721556406 800293179 /nfs/dbraw/zinc/29/31/79/800293179.db2.gz ADTHUUGUFRQTQR-INIZCTEOSA-N 1 1 255.365 3.108 20 30 CGEDMO C=C(Br)C[NH+]1CCC(F)(C2CC2)CC1 ZINC000724834111 800367852 /nfs/dbraw/zinc/36/78/52/800367852.db2.gz YOMBSSMALCNHEO-UHFFFAOYSA-N 1 1 262.166 3.109 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)c2ccc(C=C)cc2)C1 ZINC001008624409 800698958 /nfs/dbraw/zinc/69/89/58/800698958.db2.gz VVQIGGWVZBRFKX-KRWDZBQOSA-N 1 1 284.403 3.100 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCC)C1 ZINC001021500361 800702171 /nfs/dbraw/zinc/70/21/71/800702171.db2.gz WLBJYTQLDVDSNF-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C)s2)C1 ZINC001023204269 800706697 /nfs/dbraw/zinc/70/66/97/800706697.db2.gz MFUOZBSEUTXYAS-AWEZNQCLSA-N 1 1 292.448 3.074 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCCC1(C)C ZINC001024817752 800736881 /nfs/dbraw/zinc/73/68/81/800736881.db2.gz GMPLRXMPWUBOGS-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1CC1 ZINC001025183305 800744930 /nfs/dbraw/zinc/74/49/30/800744930.db2.gz JSDCRXSFOCNQHI-IAGOWNOFSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)F ZINC001025185020 800745561 /nfs/dbraw/zinc/74/55/61/800745561.db2.gz RPPFTVIWAVIWHX-CABCVRRESA-N 1 1 296.430 3.156 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)F ZINC001025189923 800746647 /nfs/dbraw/zinc/74/66/47/800746647.db2.gz SXUSBDMABMLTGO-LSDHHAIUSA-N 1 1 296.430 3.156 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1CCC1 ZINC001025190361 800747235 /nfs/dbraw/zinc/74/72/35/800747235.db2.gz WKYYDCLXJIUAJN-IRXDYDNUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCCC[C@H]1[C@H]1CCC[N@@H+]1CC ZINC001025257898 800751753 /nfs/dbraw/zinc/75/17/53/800751753.db2.gz GPFNWXYZNLHUCU-CABCVRRESA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CCCC2)C1 ZINC001025321475 800754677 /nfs/dbraw/zinc/75/46/77/800754677.db2.gz XGCMLLGLLXZOLU-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001025603971 800764218 /nfs/dbraw/zinc/76/42/18/800764218.db2.gz ZTRPHIYPAZHEIB-VQHPVUNQSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)CCC2CCCC2)C1 ZINC001027278842 800787955 /nfs/dbraw/zinc/78/79/55/800787955.db2.gz JVOHSXZQQNHJQP-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC001027289971 800790642 /nfs/dbraw/zinc/79/06/42/800790642.db2.gz MMMRLRDSWSWEIA-HUUCEWRRSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC001027289971 800790643 /nfs/dbraw/zinc/79/06/43/800790643.db2.gz MMMRLRDSWSWEIA-HUUCEWRRSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)CC2(C)CCCC2)C1 ZINC001027396479 800792642 /nfs/dbraw/zinc/79/26/42/800792642.db2.gz BYSNMPGEJXEJEI-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C[C@H]2CC=CCC2)C1 ZINC001027527194 800800349 /nfs/dbraw/zinc/80/03/49/800800349.db2.gz AKKFOAOUNLRNFZ-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)CC3CC3)C2)CC1 ZINC001027558626 800803489 /nfs/dbraw/zinc/80/34/89/800803489.db2.gz DDXJDQXRPMAKCM-QGZVFWFLSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]([N@H+](C)CC(=C)Cl)C1 ZINC001027560116 800804147 /nfs/dbraw/zinc/80/41/47/800804147.db2.gz QGCVJMCCUYLAQH-HOCLYGCPSA-N 1 1 298.858 3.264 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]([N@@H+](C)CC(=C)Cl)C1 ZINC001027560116 800804155 /nfs/dbraw/zinc/80/41/55/800804155.db2.gz QGCVJMCCUYLAQH-HOCLYGCPSA-N 1 1 298.858 3.264 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2csc(Cl)c2)C1 ZINC001027601625 800805162 /nfs/dbraw/zinc/80/51/62/800805162.db2.gz FTWQRSLROYUNPH-LBPRGKRZSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001027688860 800810852 /nfs/dbraw/zinc/81/08/52/800810852.db2.gz BMKWTQQEZRSOPO-SJLPKXTDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C)oc1C ZINC001027748647 800818228 /nfs/dbraw/zinc/81/82/28/800818228.db2.gz KDNFPRUNVCRISO-OAHLLOKOSA-N 1 1 290.407 3.057 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1sccc1Cl ZINC001027897854 800825041 /nfs/dbraw/zinc/82/50/41/800825041.db2.gz AYUAMYTXIWAGOK-NSHDSACASA-N 1 1 298.839 3.172 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(CCC)cc1 ZINC001028107847 800832226 /nfs/dbraw/zinc/83/22/26/800832226.db2.gz CTBYJMNPGXSREZ-QGZVFWFLSA-N 1 1 286.419 3.019 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1csc(Cl)c1 ZINC001028180559 800835867 /nfs/dbraw/zinc/83/58/67/800835867.db2.gz DCERRLDYRNUAFK-GFCCVEGCSA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc2ccccc2o1 ZINC001028304286 800839746 /nfs/dbraw/zinc/83/97/46/800839746.db2.gz WSZJKQKJOSREFO-OAHLLOKOSA-N 1 1 298.386 3.203 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2c(cccc2C)o1 ZINC001028338770 800842445 /nfs/dbraw/zinc/84/24/45/800842445.db2.gz HWHTYYALDLGYQN-CQSZACIVSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001028788643 800853382 /nfs/dbraw/zinc/85/33/82/800853382.db2.gz NKNWDDHCKLPJJQ-JKSUJKDBSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)c2coc3ccccc23)C1 ZINC001029020062 800858407 /nfs/dbraw/zinc/85/84/07/800858407.db2.gz NUTKYNGMDDELLD-AWEZNQCLSA-N 1 1 298.386 3.061 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](CNC(=O)c2cccc(C3CC3)c2)C1 ZINC001029009719 800858648 /nfs/dbraw/zinc/85/86/48/800858648.db2.gz VCXDRGPEENGXLF-OAHLLOKOSA-N 1 1 298.430 3.192 20 30 CGEDMO CC(C)CC[C@@H](C)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001256363106 806867942 /nfs/dbraw/zinc/86/79/42/806867942.db2.gz GPIYGPZAZUFGOC-DGCLKSJQSA-N 1 1 253.411 3.085 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(CC)CC ZINC001032790878 800936366 /nfs/dbraw/zinc/93/63/66/800936366.db2.gz AREBCKRQLJCKAA-GJZGRUSLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCCCC1(C)C ZINC001032820955 800937220 /nfs/dbraw/zinc/93/72/20/800937220.db2.gz GURAZDOMGIQHKG-JYJNAYRXSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCCCC1(C)C ZINC001032820955 800937223 /nfs/dbraw/zinc/93/72/23/800937223.db2.gz GURAZDOMGIQHKG-JYJNAYRXSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)C2CCCCC2)C1 ZINC001032879976 800942693 /nfs/dbraw/zinc/94/26/93/800942693.db2.gz KXJWZLXVMPHXTJ-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2C)C1 ZINC001032877322 800942873 /nfs/dbraw/zinc/94/28/73/800942873.db2.gz PJUHCBDHVYSTQB-INIZCTEOSA-N 1 1 286.419 3.108 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C=C2CCCCC2)C1 ZINC001032948193 800945371 /nfs/dbraw/zinc/94/53/71/800945371.db2.gz LSDYZUZFFATGBN-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C1CC(C)(C(=O)N(C)[C@@H]2CC[N@@H+](CCC(C)(C)C)C2)C1 ZINC001033398336 800964597 /nfs/dbraw/zinc/96/45/97/800964597.db2.gz ITKXIDOERCIDSZ-OAHLLOKOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Cl)cs2)C1 ZINC001033471278 800965958 /nfs/dbraw/zinc/96/59/58/800965958.db2.gz IUYLFHKARNRMHR-LBPRGKRZSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(C(C)C)c2)C1 ZINC001033560061 800967591 /nfs/dbraw/zinc/96/75/91/800967591.db2.gz WNLKWDIKDIZFKC-QGZVFWFLSA-N 1 1 286.419 3.142 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001033679008 800972761 /nfs/dbraw/zinc/97/27/61/800972761.db2.gz RNQQQOOQVZWCNS-SJLPKXTDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001033695987 800974828 /nfs/dbraw/zinc/97/48/28/800974828.db2.gz GFNGYOMQUOWGAH-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)c2occc2C)C1 ZINC001033757530 800982104 /nfs/dbraw/zinc/98/21/04/800982104.db2.gz UYTFNJARGHKBNC-HNNXBMFYSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)C2=CCCCCC2)C1 ZINC001033807617 800984006 /nfs/dbraw/zinc/98/40/06/800984006.db2.gz MZDFMGWBXCMNKO-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2c(C)coc2C)C1 ZINC001033815406 800984251 /nfs/dbraw/zinc/98/42/51/800984251.db2.gz CWFPHTUJMOTMFX-OAHLLOKOSA-N 1 1 290.407 3.009 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001033951434 800990813 /nfs/dbraw/zinc/99/08/13/800990813.db2.gz JHJWHCQCMVDCOA-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2coc3ccccc32)C1 ZINC001034056772 800997475 /nfs/dbraw/zinc/99/74/75/800997475.db2.gz OTMILKAKRAZORG-CQSZACIVSA-N 1 1 298.386 3.155 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC=CCC2)C1 ZINC001034103184 801006092 /nfs/dbraw/zinc/00/60/92/801006092.db2.gz ZDZVFEKNUDAHSS-CABCVRRESA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC=CCC2)C1 ZINC001034103184 801006097 /nfs/dbraw/zinc/00/60/97/801006097.db2.gz ZDZVFEKNUDAHSS-CABCVRRESA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc(C)cc2)C1 ZINC001034501592 801030075 /nfs/dbraw/zinc/03/00/75/801030075.db2.gz XEXFVJTTYFAETL-QGZVFWFLSA-N 1 1 286.419 3.155 20 30 CGEDMO C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)C=C(C)C)CC2 ZINC001035152711 801052641 /nfs/dbraw/zinc/05/26/41/801052641.db2.gz FKCJWMXEKOUYOA-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)CC(C)(C)C)CC[C@@H]21 ZINC001036642096 801087050 /nfs/dbraw/zinc/08/70/50/801087050.db2.gz LFIXTRAEAMJGOG-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)CC3CCC3)CC[C@H]21 ZINC001036677975 801088074 /nfs/dbraw/zinc/08/80/74/801088074.db2.gz JLRONELQYUOILZ-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CC3(C)CC3)CC[C@H]21 ZINC001036776601 801090183 /nfs/dbraw/zinc/09/01/83/801090183.db2.gz NGMHXSQQEVSDHM-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1cccc(Cl)c1C ZINC001038278407 801122240 /nfs/dbraw/zinc/12/22/40/801122240.db2.gz QMEUUTVIQDXNSF-ZDUSSCGKSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1cccc(Cl)c1C ZINC001038278407 801122246 /nfs/dbraw/zinc/12/22/46/801122246.db2.gz QMEUUTVIQDXNSF-ZDUSSCGKSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1c(C)oc2ccccc21 ZINC001038282750 801123104 /nfs/dbraw/zinc/12/31/04/801123104.db2.gz AUHGTYMQGRJJQU-AWEZNQCLSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1c(C)oc2ccccc21 ZINC001038282750 801123106 /nfs/dbraw/zinc/12/31/06/801123106.db2.gz AUHGTYMQGRJJQU-AWEZNQCLSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC=CCCC1 ZINC001038402536 801125140 /nfs/dbraw/zinc/12/51/40/801125140.db2.gz NOWSUVZCEVMBSK-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]1CNC(=O)C1CCCCCCC1 ZINC001038492279 801126337 /nfs/dbraw/zinc/12/63/37/801126337.db2.gz BRDYPWFTISZEFE-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)cc(Cl)c1 ZINC001038522243 801126646 /nfs/dbraw/zinc/12/66/46/801126646.db2.gz CGDZQQXNRXAFPQ-HNNXBMFYSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C)cc1Cl ZINC001038730842 801132202 /nfs/dbraw/zinc/13/22/02/801132202.db2.gz KKOKDPIPQQUOSQ-ZDUSSCGKSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1cccc2ccccc21 ZINC001038988529 801139707 /nfs/dbraw/zinc/13/97/07/801139707.db2.gz AIOIZKUPPODDEH-MRXNPFEDSA-N 1 1 294.398 3.220 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]1CNC(=O)C1CCC(C(C)(C)C)CC1 ZINC001038990233 801139797 /nfs/dbraw/zinc/13/97/97/801139797.db2.gz PGHHWDBJZUPPFF-UYSNPLJNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CNC(=O)C1CCC(C(C)(C)C)CC1 ZINC001038990233 801139802 /nfs/dbraw/zinc/13/98/02/801139802.db2.gz PGHHWDBJZUPPFF-UYSNPLJNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)c1cc2ccccc2o1 ZINC001038990735 801140271 /nfs/dbraw/zinc/14/02/71/801140271.db2.gz CQSNSVLIQUNBCY-HNNXBMFYSA-N 1 1 298.386 3.203 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1cc2cc(C)ccc2o1 ZINC001039044279 801141842 /nfs/dbraw/zinc/14/18/42/801141842.db2.gz WINFVJAYEQVLTI-OAHLLOKOSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1cc2cc(C)ccc2o1 ZINC001039044279 801141846 /nfs/dbraw/zinc/14/18/46/801141846.db2.gz WINFVJAYEQVLTI-OAHLLOKOSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C(C)(C)F)C1 ZINC001039178604 801150565 /nfs/dbraw/zinc/15/05/65/801150565.db2.gz SWFZKAGHIOGTBK-LSDHHAIUSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC([C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC001039151372 801150818 /nfs/dbraw/zinc/15/08/18/801150818.db2.gz VYOBTBSASVGROL-MRXNPFEDSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(CC)CC ZINC001039336212 801159143 /nfs/dbraw/zinc/15/91/43/801159143.db2.gz WDOOPIHETLTHDM-SJORKVTESA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(CC)CC ZINC001039338270 801159330 /nfs/dbraw/zinc/15/93/30/801159330.db2.gz SNXCCHZARUNNIM-CVEARBPZSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1(C)CCCC1 ZINC001039371113 801160117 /nfs/dbraw/zinc/16/01/17/801160117.db2.gz QRWCCOHYBWCGKR-CVEARBPZSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(=C)Cl ZINC001039381010 801160285 /nfs/dbraw/zinc/16/02/85/801160285.db2.gz QDUCJYGFMXPSOJ-KGLIPLIRSA-N 1 1 296.842 3.016 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C(C)C)C2 ZINC001040368569 801177538 /nfs/dbraw/zinc/17/75/38/801177538.db2.gz IXSRQINYLNHUOV-MSOLQXFVSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(CCN(C(=O)CCC3CCCC3)C2)C1 ZINC001041036688 801184371 /nfs/dbraw/zinc/18/43/71/801184371.db2.gz KWBHDIFCUSHUDJ-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C)C(C)(C)C)C2)C1 ZINC001041406316 801189417 /nfs/dbraw/zinc/18/94/17/801189417.db2.gz BEMJKVYMMHJFBO-QAPCUYQASA-N 1 1 292.467 3.169 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[C@@]2(CC[N@@H+](CC(=C)C)C2)C1 ZINC001041632204 801191482 /nfs/dbraw/zinc/19/14/82/801191482.db2.gz FVDBDIGDLJIXNP-QZTJIDSGSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C3(C)CCCC3)C[C@H]21 ZINC001042169852 801202432 /nfs/dbraw/zinc/20/24/32/801202432.db2.gz MVFNLGXTCDJKQC-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(C)c3C)C[C@H]21 ZINC001042339474 801205157 /nfs/dbraw/zinc/20/51/57/801205157.db2.gz XCZSNYPOBDIIBC-FUHWJXTLSA-N 1 1 298.430 3.026 20 30 CGEDMO Cc1[nH+]c(N2CC[C@H](C)C(F)(F)CC2)ccc1CC#N ZINC001164117768 806895671 /nfs/dbraw/zinc/89/56/71/806895671.db2.gz JEWWKYIMHUPCKM-NSHDSACASA-N 1 1 279.334 3.328 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCC)C2 ZINC001045906487 801289677 /nfs/dbraw/zinc/28/96/77/801289677.db2.gz BMUPCEVPADLSRM-GOSISDBHSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)c1ccccc1)C2 ZINC001045911192 801291851 /nfs/dbraw/zinc/29/18/51/801291851.db2.gz YDEYQGSXYXWRHO-LJQANCHMSA-N 1 1 298.430 3.191 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC(C)C)C2 ZINC001045910928 801291977 /nfs/dbraw/zinc/29/19/77/801291977.db2.gz VQSZDSFECZNZRC-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)CC)C2 ZINC001045960599 801296773 /nfs/dbraw/zinc/29/67/73/801296773.db2.gz NRBVMHVZKUMKQN-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001046413918 801310362 /nfs/dbraw/zinc/31/03/62/801310362.db2.gz CZHJQROIVIDRDN-FUHWJXTLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001046550276 801314632 /nfs/dbraw/zinc/31/46/32/801314632.db2.gz FRIZELZJVHSHKR-YJBOKZPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=Cc1ccc(C(=O)N[C@]2(C)CC[N@H+](CCC(=C)C)C2)cc1 ZINC001046644540 801319346 /nfs/dbraw/zinc/31/93/46/801319346.db2.gz MQUUYELFJBTTDQ-LJQANCHMSA-N 1 1 298.430 3.490 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2cc(Cl)cs2)C1 ZINC001046675808 801320316 /nfs/dbraw/zinc/32/03/16/801320316.db2.gz UCLXAJZRUXYZDB-CQSZACIVSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2cccc(Cl)c2)C1 ZINC001046794775 801325679 /nfs/dbraw/zinc/32/56/79/801325679.db2.gz DHLMWWRCYXFFSH-INIZCTEOSA-N 1 1 292.810 3.110 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccsc1 ZINC001049306677 801362321 /nfs/dbraw/zinc/36/23/21/801362321.db2.gz DCEKBKNHUXYHDX-HUUCEWRRSA-N 1 1 290.432 3.003 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)C1CC1 ZINC001049660170 801381615 /nfs/dbraw/zinc/38/16/15/801381615.db2.gz MFTBICQXJAXNPY-HOTGVXAUSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1(C)CCCCC1 ZINC001049696019 801383413 /nfs/dbraw/zinc/38/34/13/801383413.db2.gz WZOJFRXOPVXURQ-CVEARBPZSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)CC ZINC001049680660 801383667 /nfs/dbraw/zinc/38/36/67/801383667.db2.gz KRKILIRDNCNIEX-ZIAGYGMSSA-N 1 1 298.858 3.240 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)CC ZINC001049680660 801383674 /nfs/dbraw/zinc/38/36/74/801383674.db2.gz KRKILIRDNCNIEX-ZIAGYGMSSA-N 1 1 298.858 3.240 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)CC ZINC001049680656 801385293 /nfs/dbraw/zinc/38/52/93/801385293.db2.gz KRKILIRDNCNIEX-KBPBESRZSA-N 1 1 298.858 3.240 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)CC ZINC001049680656 801385302 /nfs/dbraw/zinc/38/53/02/801385302.db2.gz KRKILIRDNCNIEX-KBPBESRZSA-N 1 1 298.858 3.240 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2C)CC1 ZINC001052162241 801421151 /nfs/dbraw/zinc/42/11/51/801421151.db2.gz MAKYLGKYXRFLJF-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2occc2C)CC1 ZINC001052209283 801425635 /nfs/dbraw/zinc/42/56/35/801425635.db2.gz SHZCKIUKISOBQI-HNNXBMFYSA-N 1 1 290.407 3.139 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2cc(C)oc2C)CC1 ZINC001052194002 801426216 /nfs/dbraw/zinc/42/62/16/801426216.db2.gz CEFHCFBHCIFECG-HNNXBMFYSA-N 1 1 290.407 3.057 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC=CCC2)CC1 ZINC001052197124 801426296 /nfs/dbraw/zinc/42/62/96/801426296.db2.gz KAGHODHXUVCRCO-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2csc(C)c2C)CC1 ZINC001052411731 801434096 /nfs/dbraw/zinc/43/40/96/801434096.db2.gz JTMMRHAYUBXAST-AWEZNQCLSA-N 1 1 292.448 3.135 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@]2(C)C=CCC2)CC1 ZINC001052636190 801442518 /nfs/dbraw/zinc/44/25/18/801442518.db2.gz OYKIFNHQLLXREO-GOEBONIOSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+](CCC)CC2)CC1 ZINC001052676683 801445465 /nfs/dbraw/zinc/44/54/65/801445465.db2.gz JDTSAAXXHBDQGE-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC23CCCC3)CC1 ZINC001052840121 801453240 /nfs/dbraw/zinc/45/32/40/801453240.db2.gz XMNOBWGYVWLOGU-CVEARBPZSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC)cc2)CC1 ZINC001052907175 801455318 /nfs/dbraw/zinc/45/53/18/801455318.db2.gz MYMLJXILGPQYTF-KRWDZBQOSA-N 1 1 286.419 3.019 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCCC2(C)C)CC1 ZINC001052963982 801456945 /nfs/dbraw/zinc/45/69/45/801456945.db2.gz DJVPWYIVGVQMLY-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCC)C2)C1 ZINC001052998583 801460493 /nfs/dbraw/zinc/46/04/93/801460493.db2.gz ACINPEFGDMRPBB-DLBZAZTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)/C(C)=C/C)C1 ZINC001053076598 801467035 /nfs/dbraw/zinc/46/70/35/801467035.db2.gz QLFSDYCPUXNMMQ-KTHYOXIYSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@@]3(C)CC)cc2C1 ZINC001054288400 801483204 /nfs/dbraw/zinc/48/32/04/801483204.db2.gz VLAFRZCFSPRIOP-PKOBYXMFSA-N 1 1 298.430 3.241 20 30 CGEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@@]3(C)CC)cc2C1 ZINC001054288400 801483207 /nfs/dbraw/zinc/48/32/07/801483207.db2.gz VLAFRZCFSPRIOP-PKOBYXMFSA-N 1 1 298.430 3.241 20 30 CGEDMO C[C@@H]1C[C@@H](N2CCC[C@@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC001256556235 806914359 /nfs/dbraw/zinc/91/43/59/806914359.db2.gz XRAKUXTZOGEPRP-NEWSRXKRSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1C[C@H](N2CCCC[C@H]2C#N)CC[N@H+]1Cc1ccccc1 ZINC001256554344 806914539 /nfs/dbraw/zinc/91/45/39/806914539.db2.gz OXVNNIDLVMILOV-QRQLOZEOSA-N 1 1 297.446 3.418 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccsc2)CC[C@@H]1C ZINC001071334903 801529596 /nfs/dbraw/zinc/52/95/96/801529596.db2.gz NGFPMWBYWZIKHK-ZFWWWQNUSA-N 1 1 292.448 3.297 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C2C(C)(C)C2(C)C)CC[C@H]1C ZINC001071413186 801534835 /nfs/dbraw/zinc/53/48/35/801534835.db2.gz CWAVFWGJBRRCIO-KGLIPLIRSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)C2=CCCCCC2)CC[C@H]1C ZINC001071457994 801536666 /nfs/dbraw/zinc/53/66/66/801536666.db2.gz OVHVMYALXWPLOM-NVXWUHKLSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2cscc2Cl)CC[C@H]1C ZINC001071593667 801542200 /nfs/dbraw/zinc/54/22/00/801542200.db2.gz FJRCCLNHIUBTSU-GHMZBOCLSA-N 1 1 298.839 3.170 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2(C3CC3)CC2)CC[C@H]1C ZINC001071597786 801542820 /nfs/dbraw/zinc/54/28/20/801542820.db2.gz OANWDBOSERJKBW-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CCCC)C2)cc1 ZINC001071731655 801546740 /nfs/dbraw/zinc/54/67/40/801546740.db2.gz IAVUDGLEQGGTCK-CRAIPNDOSA-N 1 1 298.430 3.051 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CCC)C2)CC1 ZINC001071795376 801551317 /nfs/dbraw/zinc/55/13/17/801551317.db2.gz KFSHGMQZMLLUIH-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C=C)cc2)CC[C@@H]1C ZINC001071828670 801553891 /nfs/dbraw/zinc/55/38/91/801553891.db2.gz SEXUXEITWXXGGS-YJBOKZPZSA-N 1 1 298.430 3.488 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2(C)CC(=C)C2)CC[C@H]1C ZINC001071807800 801554702 /nfs/dbraw/zinc/55/47/02/801554702.db2.gz WRTXBRPKPFXROJ-CVEARBPZSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2csc(Cl)c2)CC[C@@H]1C ZINC001071868980 801556790 /nfs/dbraw/zinc/55/67/90/801556790.db2.gz NRKLVNYBUCSKHA-JQWIXIFHSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C2CCC=CCC2)CC[C@@H]1C ZINC001072078665 801562001 /nfs/dbraw/zinc/56/20/01/801562001.db2.gz JUADRAALEQNJPJ-DOTOQJQBSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)c2ccc(Cl)s2)CC[C@H]1C ZINC001072049828 801562697 /nfs/dbraw/zinc/56/26/97/801562697.db2.gz RHUHVAJQFZZVFZ-GHMZBOCLSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2ccc(Cl)s2)CC[C@H]1C ZINC001072049828 801562702 /nfs/dbraw/zinc/56/27/02/801562702.db2.gz RHUHVAJQFZZVFZ-GHMZBOCLSA-N 1 1 298.839 3.170 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](C2CCN(C(C)=O)CC2)CC1 ZINC001075441675 801601371 /nfs/dbraw/zinc/60/13/71/801601371.db2.gz MJXLZKOMMWGQEE-OAHLLOKOSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C)CCC(C)CC2)C1 ZINC001081020190 801659246 /nfs/dbraw/zinc/65/92/46/801659246.db2.gz VVHNYSPTUVCUFI-GARNVTTQSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001081019808 801659492 /nfs/dbraw/zinc/65/94/92/801659492.db2.gz FGIALSBWSWYIID-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(CC)(CC)CC)[C@@H]2C1 ZINC001084743373 801671067 /nfs/dbraw/zinc/67/10/67/801671067.db2.gz JOPNSRPKULTWOZ-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2CN(C(=O)CCC3CCCCC3)[C@@H]2C1 ZINC001084810545 801672173 /nfs/dbraw/zinc/67/21/73/801672173.db2.gz SVXJCWRWNSREKP-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[N@@H+](CC(C)C)[C@H]2C1 ZINC001085023588 801674044 /nfs/dbraw/zinc/67/40/44/801674044.db2.gz LJPXVFXEKGCHJB-SOLBZPMBSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC2(CC2)C1 ZINC001085594574 801696056 /nfs/dbraw/zinc/69/60/56/801696056.db2.gz JYUNFELJRFCQGS-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C1CCCCCCC1 ZINC001085715699 801702231 /nfs/dbraw/zinc/70/22/31/801702231.db2.gz REUAULSPFWMWLD-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001085892208 801709498 /nfs/dbraw/zinc/70/94/98/801709498.db2.gz SMIROAYBMVJNRP-BRWVUGGUSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001085892208 801709500 /nfs/dbraw/zinc/70/95/00/801709500.db2.gz SMIROAYBMVJNRP-BRWVUGGUSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2ccccc2o1 ZINC001085960462 801714866 /nfs/dbraw/zinc/71/48/66/801714866.db2.gz FEXJHVKVWYFTDD-HNNXBMFYSA-N 1 1 298.386 3.155 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1sccc1CC ZINC001085985641 801716263 /nfs/dbraw/zinc/71/62/63/801716263.db2.gz JEFWDMJZCNEMFW-AWEZNQCLSA-N 1 1 292.448 3.033 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1sccc1CC ZINC001085985641 801716267 /nfs/dbraw/zinc/71/62/67/801716267.db2.gz JEFWDMJZCNEMFW-AWEZNQCLSA-N 1 1 292.448 3.033 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)[C@H]1CC ZINC001087578506 801756575 /nfs/dbraw/zinc/75/65/75/801756575.db2.gz ZKMYRSGCLZAWPJ-XUWVNRHRSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2c(C)coc2C)[C@H]1CC ZINC001087561154 801756799 /nfs/dbraw/zinc/75/67/99/801756799.db2.gz GOIWCUHBJUSBMN-LSDHHAIUSA-N 1 1 290.407 3.055 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)=C2CCC2)[C@H]1CC ZINC001087568016 801757223 /nfs/dbraw/zinc/75/72/23/801757223.db2.gz UIQLQPTXMDPHBV-JKSUJKDBSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)(C)C2CC2)[C@H]1CC ZINC001087694435 801764410 /nfs/dbraw/zinc/76/44/10/801764410.db2.gz BNVKVXNUJDNHCT-UONOGXRCSA-N 1 1 298.858 3.144 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C2CC2)[C@H]1CC ZINC001087694435 801764417 /nfs/dbraw/zinc/76/44/17/801764417.db2.gz BNVKVXNUJDNHCT-UONOGXRCSA-N 1 1 298.858 3.144 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(C)=C(C)C2)[C@H]1C ZINC001088586380 801800592 /nfs/dbraw/zinc/80/05/92/801800592.db2.gz QJXARFNERQEXEW-IKGGRYGDSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(C)=C(C)C2)[C@H]1C ZINC001088585996 801802291 /nfs/dbraw/zinc/80/22/91/801802291.db2.gz ATLCQNAJRMKGKE-IKGGRYGDSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(CC)s2)[C@H]1C ZINC001088714882 801805160 /nfs/dbraw/zinc/80/51/60/801805160.db2.gz HOAOYWWRLGKANQ-OCCSQVGLSA-N 1 1 292.448 3.079 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C)cc2Cl)[C@H]1C ZINC001088874475 801811448 /nfs/dbraw/zinc/81/14/48/801811448.db2.gz GIMHCMZVSKWUDE-DOMZBBRYSA-N 1 1 292.810 3.027 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2coc3ccccc23)[C@H]1C ZINC001089075580 801821265 /nfs/dbraw/zinc/82/12/65/801821265.db2.gz KMHJSQLMZWWJHY-CJNGLKHVSA-N 1 1 298.386 3.202 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C(CC)CC)C[C@]2(C)C1 ZINC001091499374 801857956 /nfs/dbraw/zinc/85/79/56/801857956.db2.gz HLPCGLLACCIMTR-AEFFLSMTSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CN(C(=O)C(CC)(CC)CC)C[C@]2(C)C1 ZINC001092140575 801860189 /nfs/dbraw/zinc/86/01/89/801860189.db2.gz DHAVOGWETLDKMA-WBVHZDCISA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1C=CCC1)C2 ZINC001095159000 801880951 /nfs/dbraw/zinc/88/09/51/801880951.db2.gz JFAURQSCTCQGQA-NCOADZHNSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC(C)=C(C)C1)C2 ZINC001095459133 801882999 /nfs/dbraw/zinc/88/29/99/801882999.db2.gz LDLNIFUOGIFPQL-NCOADZHNSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)c1cccc(C)c1)C2 ZINC001097946293 801904383 /nfs/dbraw/zinc/90/43/83/801904383.db2.gz OHMBWQOIZBVCQV-HPBDAGMYSA-N 1 1 298.430 3.006 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2CCCCC2)C1 ZINC001098717831 801912481 /nfs/dbraw/zinc/91/24/81/801912481.db2.gz GXDPKFQMLJBXOY-WMZOPIPTSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC1CC1 ZINC001098849302 801916043 /nfs/dbraw/zinc/91/60/43/801916043.db2.gz LBUMNVWDWJBQFG-CQSZACIVSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC1CC1 ZINC001098849302 801916050 /nfs/dbraw/zinc/91/60/50/801916050.db2.gz LBUMNVWDWJBQFG-CQSZACIVSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C=C1CCC1 ZINC001099012110 801925664 /nfs/dbraw/zinc/92/56/64/801925664.db2.gz HGZUTMSTTIRIAG-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C#CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC(C)C ZINC001099043236 801926808 /nfs/dbraw/zinc/92/68/08/801926808.db2.gz LKQBXDIAIMFZRH-INIZCTEOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC1(C)CC1 ZINC001099149534 801930260 /nfs/dbraw/zinc/93/02/60/801930260.db2.gz TUZBBXIKDFFVQR-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1(C)CC=CC1 ZINC001099215479 801934290 /nfs/dbraw/zinc/93/42/90/801934290.db2.gz VDINWXSSUHTHCO-HNNXBMFYSA-N 1 1 290.451 3.136 20 30 CGEDMO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCCCC ZINC001099325027 801936045 /nfs/dbraw/zinc/93/60/45/801936045.db2.gz RCCFHRXBKXRPJR-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)c3ccccc3)C[C@]2(C)C1 ZINC001101109858 801971574 /nfs/dbraw/zinc/97/15/74/801971574.db2.gz NYCQWDSFUYCNNY-MJGOQNOKSA-N 1 1 298.430 3.047 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)C(C)C)C[C@]2(C)C1 ZINC001101127778 801972314 /nfs/dbraw/zinc/97/23/14/801972314.db2.gz KIYKAVRFGDNCHA-AEFFLSMTSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CN(C(=O)C[C@H](C)C(C)(C)C)C[C@]2(C)C1 ZINC001101445038 801979749 /nfs/dbraw/zinc/97/97/49/801979749.db2.gz YCIPYVYXMKIPGR-DAYGRLMNSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H](CC)CCCC)[C@H](C)C1 ZINC001101755137 801989924 /nfs/dbraw/zinc/98/99/24/801989924.db2.gz LKFQMGZULXQARS-BZUAXINKSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](CNC(=O)C[C@@H](C)C(C)C)[C@H](C)C1 ZINC001101808057 801991419 /nfs/dbraw/zinc/99/14/19/801991419.db2.gz RVOOWIHPOSBQKG-BRWVUGGUSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1C ZINC001101806566 801992468 /nfs/dbraw/zinc/99/24/68/801992468.db2.gz XFRMNOGBYMHFAA-NVXWUHKLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](CNC(=O)C[C@H](C)CCC)[C@H](C)C1 ZINC001101803082 801992710 /nfs/dbraw/zinc/99/27/10/801992710.db2.gz SWBOMIUSYDHLQX-BRWVUGGUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CCC2CC2)[C@H](C)C1 ZINC001101831009 801992715 /nfs/dbraw/zinc/99/27/15/801992715.db2.gz LZUJNYVTXWPYMF-HLLBOEOZSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](CNC(=O)C[C@H](C)CC)[C@H](C)C1 ZINC001101918631 801995611 /nfs/dbraw/zinc/99/56/11/801995611.db2.gz XRXJTEXKBHVOOB-BZUAXINKSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1C[N@@H+](CC2CC(C)C2)C[C@H]1C ZINC001102011773 801998481 /nfs/dbraw/zinc/99/84/81/801998481.db2.gz PTOVIEJFCKXGPC-MNAZLIDISA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NC[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1C ZINC001102262986 802003993 /nfs/dbraw/zinc/00/39/93/802003993.db2.gz RHRJVZXJADVXJY-VREHXWONSA-N 1 1 298.858 3.025 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H]1C[N@@H+](CCCCC)C[C@H]1C ZINC001102327204 802004634 /nfs/dbraw/zinc/00/46/34/802004634.db2.gz CMIFBBGZTWPSIK-JFIYKMOQSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@@H+](CCCC)C[C@H]1C ZINC001102411122 802007161 /nfs/dbraw/zinc/00/71/61/802007161.db2.gz GRMDDIYDMNJDPB-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCC[C@@H]1C[N@@H+](CCCC)C[C@H]1C ZINC001103401792 802032877 /nfs/dbraw/zinc/03/28/77/802032877.db2.gz ODLCAXZMWKWQCQ-JFIYKMOQSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCCC(=O)NCC[C@@H]1C[N@@H+](C[C@H](C)CC)C[C@H]1C ZINC001103382572 802033834 /nfs/dbraw/zinc/03/38/34/802033834.db2.gz MWZHBLZJQBKERL-BRWVUGGUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001103416163 802034603 /nfs/dbraw/zinc/03/46/03/802034603.db2.gz YTPLCRIOWYWOBX-OWCLPIDISA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC(C)C)C1 ZINC001103461882 802035738 /nfs/dbraw/zinc/03/57/38/802035738.db2.gz ZQYZGLSCDJDJHL-HZPDHXFCSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)CC(C)C)C1 ZINC001103580067 802037317 /nfs/dbraw/zinc/03/73/17/802037317.db2.gz FRTZTOVLUCDDFX-GVDBMIGSSA-N 1 1 294.483 3.319 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@]2(CNC(C)=O)CCC[C@@H]12 ZINC001107241661 802081092 /nfs/dbraw/zinc/08/10/92/802081092.db2.gz AZZDUPYCAAOPLG-IAGOWNOFSA-N 1 1 280.456 3.338 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(CNC(=O)CC3CCC3)CCC[C@@H]12 ZINC001107350643 802085812 /nfs/dbraw/zinc/08/58/12/802085812.db2.gz NWRFVHVDAGTWKY-SJLPKXTDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)C)CCC[C@@H]12 ZINC001107616415 802091770 /nfs/dbraw/zinc/09/17/70/802091770.db2.gz AJGSMZSVBJYMHE-CRAIPNDOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)CC(C)C)CCC[C@@H]12 ZINC001107590047 802092344 /nfs/dbraw/zinc/09/23/44/802092344.db2.gz UDJBQBKJLMYGTC-JFIYKMOQSA-N 1 1 292.467 3.215 20 30 CGEDMO CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CSC)C2 ZINC001108906364 802104160 /nfs/dbraw/zinc/10/41/60/802104160.db2.gz FGMACKCKGFOYEX-ILXRZTDVSA-N 1 1 298.496 3.041 20 30 CGEDMO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC/C=C\CCC ZINC001109055362 802108681 /nfs/dbraw/zinc/10/86/81/802108681.db2.gz ZPAZHSWTUGSTIO-QLRDQERUSA-N 1 1 290.451 3.421 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)CC)C2 ZINC001109206806 802112872 /nfs/dbraw/zinc/11/28/72/802112872.db2.gz UXJNWQKUAHHBTD-WCVJEAGWSA-N 1 1 278.440 3.110 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(C)C ZINC001109331871 802112913 /nfs/dbraw/zinc/11/29/13/802112913.db2.gz UFBMHXLKVUYCOK-RDBSUJKOSA-N 1 1 298.858 3.143 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1 ZINC001109350969 802113811 /nfs/dbraw/zinc/11/38/11/802113811.db2.gz KZXAWMDZOIUCRY-SQNIBIBYSA-N 1 1 298.430 3.264 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C(CC)CC)C2 ZINC001109472189 802116253 /nfs/dbraw/zinc/11/62/53/802116253.db2.gz ZTGDPPNWFZAZFG-ORQFMDKSSA-N 1 1 292.467 3.356 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C/Cl ZINC001109634377 802120315 /nfs/dbraw/zinc/12/03/15/802120315.db2.gz KZLXVFZPINWFQY-ZJEMVAMWSA-N 1 1 296.842 3.063 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C/C=C/Cl ZINC001109634377 802120316 /nfs/dbraw/zinc/12/03/16/802120316.db2.gz KZLXVFZPINWFQY-ZJEMVAMWSA-N 1 1 296.842 3.063 20 30 CGEDMO C=C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC)c1ccccc1 ZINC001110136855 802132231 /nfs/dbraw/zinc/13/22/31/802132231.db2.gz RSZMIYOGSPFKAD-BDXSIMOUSA-N 1 1 298.430 3.088 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1C=CCC1)C2 ZINC001110267055 802134203 /nfs/dbraw/zinc/13/42/03/802134203.db2.gz PTSBOROMLIVDTP-HZMVEIRTSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC1)C2 ZINC001110233296 802134218 /nfs/dbraw/zinc/13/42/18/802134218.db2.gz CXSPDXVIEDNNLG-ZACQAIPSSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1 ZINC001110933004 802150582 /nfs/dbraw/zinc/15/05/82/802150582.db2.gz DVXRKBWTGOZTKG-DZUCGIPZSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(CCC)CC1)C2 ZINC001110999330 802152034 /nfs/dbraw/zinc/15/20/34/802152034.db2.gz XHSWKJCVFSDNMH-OAGGEKHMSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1 ZINC001110985278 802152486 /nfs/dbraw/zinc/15/24/86/802152486.db2.gz UUDDYZBKBQBRGR-XLMAVXFVSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)/C(C)=C\CC)C1 ZINC001111633841 802164949 /nfs/dbraw/zinc/16/49/49/802164949.db2.gz NEXUXSYDOBVJLT-GFNBKLKVSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2CCC2)C1 ZINC001111680755 802166945 /nfs/dbraw/zinc/16/69/45/802166945.db2.gz DWBGSFAFUDYVLR-WMZOPIPTSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)CC(C)C)C1 ZINC001111929797 802172731 /nfs/dbraw/zinc/17/27/31/802172731.db2.gz ASULUIQORVVEOG-BQFCYCMXSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[NH+]1CCN(C(=O)c2ccc(CC)s2)CC1 ZINC001113076159 802200159 /nfs/dbraw/zinc/20/01/59/802200159.db2.gz UXFVXTOVCIAPST-UHFFFAOYSA-N 1 1 292.448 3.035 20 30 CGEDMO CCCCCCC[NH+]1CCN(C(=O)c2cc(C)co2)CC1 ZINC001113226437 802206871 /nfs/dbraw/zinc/20/68/71/802206871.db2.gz CEPBTCYCXSJPKW-UHFFFAOYSA-N 1 1 292.423 3.316 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCC(C)C)C[C@H]21 ZINC001114340156 802241818 /nfs/dbraw/zinc/24/18/18/802241818.db2.gz ATYXQMMLSMOOAD-QLPKVWCKSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC001114724631 802243463 /nfs/dbraw/zinc/24/34/63/802243463.db2.gz PYALQQYEDCOODF-WCVJEAGWSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC(C)C ZINC001114873045 802247119 /nfs/dbraw/zinc/24/71/19/802247119.db2.gz QFLLAOWWBWXEFK-CBZIJGRNSA-N 1 1 292.467 3.214 20 30 CGEDMO CCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCC)C[C@H]21 ZINC001115160248 802253382 /nfs/dbraw/zinc/25/33/82/802253382.db2.gz RKRKPVFNDFIDPM-QLPKVWCKSA-N 1 1 280.456 3.193 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCCCC ZINC001115199651 802254218 /nfs/dbraw/zinc/25/42/18/802254218.db2.gz WRAXRGBLRMRELM-LISAXSMJSA-N 1 1 292.467 3.358 20 30 CGEDMO CCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@H+](C(C)C)C[C@H]21 ZINC001115165450 802254390 /nfs/dbraw/zinc/25/43/90/802254390.db2.gz IABYADVHLKAXIJ-QLPKVWCKSA-N 1 1 280.456 3.192 20 30 CGEDMO COc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)ccc1F ZINC001116437844 802347416 /nfs/dbraw/zinc/34/74/16/802347416.db2.gz VNRZBWOMJPBVIF-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO C#CC[N@@H+](Cc1nc2ccccc2n1CCC)CC1CC1 ZINC001116448788 802354201 /nfs/dbraw/zinc/35/42/01/802354201.db2.gz FBIYLPGWMGYQTH-UHFFFAOYSA-N 1 1 281.403 3.292 20 30 CGEDMO C#CC[N@H+](Cc1nc2ccccc2n1CCC)CC1CC1 ZINC001116448788 802354212 /nfs/dbraw/zinc/35/42/12/802354212.db2.gz FBIYLPGWMGYQTH-UHFFFAOYSA-N 1 1 281.403 3.292 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2coc3ccccc23)C1 ZINC001116575482 802381212 /nfs/dbraw/zinc/38/12/12/802381212.db2.gz BYEXKSDCTVASCG-CQSZACIVSA-N 1 1 257.333 3.210 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001116600216 802384764 /nfs/dbraw/zinc/38/47/64/802384764.db2.gz AQDZXCMXTDHXJM-CQSZACIVSA-N 1 1 267.376 3.156 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cc(Cl)cs2)C1 ZINC001116839007 802417864 /nfs/dbraw/zinc/41/78/64/802417864.db2.gz CUYBCEDIGAZGFO-LLVKDONJSA-N 1 1 257.786 3.178 20 30 CGEDMO C[C@@H](CCCC#N)N1CCC([NH3+])(c2ccccc2)CC1 ZINC001172490932 808350641 /nfs/dbraw/zinc/35/06/41/808350641.db2.gz CEIYKXHSDDTJHO-HNNXBMFYSA-N 1 1 271.408 3.019 20 30 CGEDMO C[C@@H](CCCC#N)[NH+]1CCC(N)(c2ccccc2)CC1 ZINC001172490932 808350652 /nfs/dbraw/zinc/35/06/52/808350652.db2.gz CEIYKXHSDDTJHO-HNNXBMFYSA-N 1 1 271.408 3.019 20 30 CGEDMO CCCCCCC[C@@H](CCC)[NH2+][C@H]1CCOC1=O ZINC001172502175 808357620 /nfs/dbraw/zinc/35/76/20/808357620.db2.gz OOUSVMANOINCRU-KGLIPLIRSA-N 1 1 255.402 3.421 20 30 CGEDMO N#Cc1ccc(C[NH+]2CC(c3ccc(F)cc3)C2)s1 ZINC001117867208 802509143 /nfs/dbraw/zinc/50/91/43/802509143.db2.gz AZKRTRZWBUDULE-UHFFFAOYSA-N 1 1 272.348 3.358 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2ccccc2N2CCCC2)C1 ZINC001118943756 802621096 /nfs/dbraw/zinc/62/10/96/802621096.db2.gz RZMUGBISVRLAKZ-MRXNPFEDSA-N 1 1 268.404 3.132 20 30 CGEDMO CC(C)c1cc([C@H]2CCC[N@@H+](CCCCC#N)C2)[nH]n1 ZINC001119269366 802640059 /nfs/dbraw/zinc/64/00/59/802640059.db2.gz YSRGHQHJOKMVEF-AWEZNQCLSA-N 1 1 274.412 3.406 20 30 CGEDMO CC(C)c1cc([C@H]2CCC[N@H+](CCCCC#N)C2)n[nH]1 ZINC001119269366 802640062 /nfs/dbraw/zinc/64/00/62/802640062.db2.gz YSRGHQHJOKMVEF-AWEZNQCLSA-N 1 1 274.412 3.406 20 30 CGEDMO CC(C)c1cc([C@H]2CCC[N@@H+](CCCCC#N)C2)n[nH]1 ZINC001119269366 802640066 /nfs/dbraw/zinc/64/00/66/802640066.db2.gz YSRGHQHJOKMVEF-AWEZNQCLSA-N 1 1 274.412 3.406 20 30 CGEDMO CCC[C@H](C)[N@@H+](C)Cc1cc(C#N)ccc1N(C)C ZINC001180275238 809987982 /nfs/dbraw/zinc/98/79/82/809987982.db2.gz KNWIVLHYNOZJFH-ZDUSSCGKSA-N 1 1 259.397 3.245 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCCC)C1 ZINC001120320739 802739466 /nfs/dbraw/zinc/73/94/66/802739466.db2.gz SGDXJURDQJWJDU-IAGOWNOFSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)/C(C)=C\CC)C1 ZINC001120339287 802739773 /nfs/dbraw/zinc/73/97/73/802739773.db2.gz VFUVUAHNRLKXEG-SPMFNHFHSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCCC)C1 ZINC001120321681 802739816 /nfs/dbraw/zinc/73/98/16/802739816.db2.gz ZQUCJUTXZUIOJJ-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CCCC)C1 ZINC001120348355 802741081 /nfs/dbraw/zinc/74/10/81/802741081.db2.gz ULFOJAGEJVCCOE-IRXDYDNUSA-N 1 1 292.467 3.456 20 30 CGEDMO N#C[C@@H]1CC=C(c2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC001243797525 803016218 /nfs/dbraw/zinc/01/62/18/803016218.db2.gz YBTLERFNLZDZGE-QGZVFWFLSA-N 1 1 296.414 3.268 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001205031701 812833715 /nfs/dbraw/zinc/83/37/15/812833715.db2.gz GYXGJSHERVWPHY-MRXNPFEDSA-N 1 1 259.393 3.490 20 30 CGEDMO C[N@H+]1CCCC[C@H]1c1ccc(-c2ccc(C#N)cc2N)nc1 ZINC001244085580 803178083 /nfs/dbraw/zinc/17/80/83/803178083.db2.gz TYALORBAKJEYQX-SFHVURJKSA-N 1 1 292.386 3.359 20 30 CGEDMO Cc1[nH+]ccn1-c1ccc(-c2ccc(C#N)cc2Cl)nn1 ZINC001244326919 803306588 /nfs/dbraw/zinc/30/65/88/803306588.db2.gz IHRJHFOGJAKPPB-UHFFFAOYSA-N 1 1 295.733 3.163 20 30 CGEDMO N#Cc1ccc(-c2ccc3[nH]c(N)[nH+]c3c2)c(Cl)c1 ZINC001244330771 803308631 /nfs/dbraw/zinc/30/86/31/803308631.db2.gz XNAISSAEIGCLLW-UHFFFAOYSA-N 1 1 268.707 3.337 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)c2occc2C)CC[C@@H]1C ZINC001131808937 803347462 /nfs/dbraw/zinc/34/74/62/803347462.db2.gz QRHFVZDZWPVSJI-GJZGRUSLSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)/C(C)=C\CC)CC[C@H]1C ZINC001131918819 803357015 /nfs/dbraw/zinc/35/70/15/803357015.db2.gz UBAGSPVBZJIIGU-IAGRGRHTSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)/C=C(\C)CC)CC[C@H]1C ZINC001132014013 803367182 /nfs/dbraw/zinc/36/71/82/803367182.db2.gz QIRDKMZHEBJUEP-DVFZLIDBSA-N 1 1 284.831 3.064 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@H](NC(=O)/C=C(\C)CC)CC[C@H]1C ZINC001132014013 803367187 /nfs/dbraw/zinc/36/71/87/803367187.db2.gz QIRDKMZHEBJUEP-DVFZLIDBSA-N 1 1 284.831 3.064 20 30 CGEDMO C#CC[N@@H+]1C[C@@H](NC(=O)CCCCC(C)(C)C)CC[C@H]1C ZINC001132058541 803370382 /nfs/dbraw/zinc/37/03/82/803370382.db2.gz ZJSJACDEPQRZIS-CVEARBPZSA-N 1 1 292.467 3.195 20 30 CGEDMO CC#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC=C(C)C)C1 ZINC001132224859 803381244 /nfs/dbraw/zinc/38/12/44/803381244.db2.gz RHDVXMZSLGEFKM-IAGOWNOFSA-N 1 1 290.451 3.115 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC=C(C)C)C1 ZINC001132227274 803381336 /nfs/dbraw/zinc/38/13/36/803381336.db2.gz BFVCFUXMNSTJOQ-HUUCEWRRSA-N 1 1 278.440 3.134 20 30 CGEDMO C#CCC[N@@H+]1C[C@H](NC(=O)C(C)(C)C(C)(C)C)CC[C@H]1C ZINC001132241090 803385057 /nfs/dbraw/zinc/38/50/57/803385057.db2.gz QOGBZOFFXMKSHY-HUUCEWRRSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)CCCC2CC2)CC[C@@H]1C ZINC001132250021 803386577 /nfs/dbraw/zinc/38/65/77/803386577.db2.gz WPOFGEREXVSKBB-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC2CCC2)C1 ZINC001132250093 803387099 /nfs/dbraw/zinc/38/70/99/803387099.db2.gz XEPZUPGVMUJGFH-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C(C)(C)CCC)CC[C@@H]1C ZINC001132252809 803387952 /nfs/dbraw/zinc/38/79/52/803387952.db2.gz KSRMIDZSZGKAMR-GJZGRUSLSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)C2(CC)CC2)CC[C@@H]1C ZINC001132287679 803391616 /nfs/dbraw/zinc/39/16/16/803391616.db2.gz IWMXZBHWPWPNBM-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@H+]1C[C@H](NC(=O)CCCC(C)C)CC[C@H]1C ZINC001132318333 803395209 /nfs/dbraw/zinc/39/52/09/803395209.db2.gz NHFWFHSURRRUIM-HZPDHXFCSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCCC)C1 ZINC001132330511 803396270 /nfs/dbraw/zinc/39/62/70/803396270.db2.gz IIGGLLDLMLPKPG-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO C[N@@H+](Cc1ccc(N2CCCC2)o1)Cc1cccc(C#N)c1 ZINC001137070230 803679111 /nfs/dbraw/zinc/67/91/11/803679111.db2.gz GCLZLWIMSACOBS-UHFFFAOYSA-N 1 1 295.386 3.383 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1ccc2nccnc2c1 ZINC001137088464 803682244 /nfs/dbraw/zinc/68/22/44/803682244.db2.gz XWFTWONRSRRQIR-UHFFFAOYSA-N 1 1 268.364 3.146 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1ccc2nccnc2c1 ZINC001137088464 803682246 /nfs/dbraw/zinc/68/22/46/803682246.db2.gz XWFTWONRSRRQIR-UHFFFAOYSA-N 1 1 268.364 3.146 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2cccc3cccnc32)CC1 ZINC001137176789 803693937 /nfs/dbraw/zinc/69/39/37/803693937.db2.gz MYMUJRMBJUZRSU-CQSZACIVSA-N 1 1 265.360 3.360 20 30 CGEDMO COc1ccc(C[N@H+]2CCC23CCCCC3)c(C#N)c1 ZINC001137699730 803760744 /nfs/dbraw/zinc/76/07/44/803760744.db2.gz RVACDDVWTWAVMT-UHFFFAOYSA-N 1 1 270.376 3.475 20 30 CGEDMO COc1ccc(C[N@H+]2CCCCC[C@H]2C)c(C#N)c1 ZINC001137703927 803760840 /nfs/dbraw/zinc/76/08/40/803760840.db2.gz ZDOOXYFLNRHUPL-CYBMUJFWSA-N 1 1 258.365 3.331 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CC[C@H](C)C[C@H]2C)cc1OC ZINC001138349429 803900990 /nfs/dbraw/zinc/90/09/90/803900990.db2.gz YWGDEJPFKPJDRE-LSDHHAIUSA-N 1 1 287.403 3.328 20 30 CGEDMO CN1CCCc2cc(C[N@H+]3CCC[C@@H](CC#N)C3)ccc21 ZINC001138358743 803903382 /nfs/dbraw/zinc/90/33/82/803903382.db2.gz YYBDGCJXSSOLMP-HNNXBMFYSA-N 1 1 283.419 3.195 20 30 CGEDMO COc1ccc(F)cc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001138374967 803909399 /nfs/dbraw/zinc/90/93/99/803909399.db2.gz MDHMYRXHCXWRIK-UWEBFBLFSA-N 1 1 274.339 3.101 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)cc1 ZINC001138556167 803966874 /nfs/dbraw/zinc/96/68/74/803966874.db2.gz IOHVWAXPTHSXTC-ROUUACIJSA-N 1 1 297.398 3.032 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)cc1 ZINC001138556167 803966879 /nfs/dbraw/zinc/96/68/79/803966879.db2.gz IOHVWAXPTHSXTC-ROUUACIJSA-N 1 1 297.398 3.032 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CC[C@@H](F)C(F)(F)CC2)cc1 ZINC001138556098 803966923 /nfs/dbraw/zinc/96/69/23/803966923.db2.gz FNQXWXGVIZBAKE-OAHLLOKOSA-N 1 1 297.320 3.268 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccccc2N2CCCC2)C1 ZINC001138611430 803977735 /nfs/dbraw/zinc/97/77/35/803977735.db2.gz OMZPTHKVAMHPEH-INIZCTEOSA-N 1 1 283.419 3.412 20 30 CGEDMO C=CCc1cccc(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1O ZINC001138628328 803984803 /nfs/dbraw/zinc/98/48/03/803984803.db2.gz SEWIYVMNVQLDND-GASCZTMLSA-N 1 1 257.377 3.209 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001138662187 803994772 /nfs/dbraw/zinc/99/47/72/803994772.db2.gz PWKAPISBOCMGFN-JYJNAYRXSA-N 1 1 275.367 3.431 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[NH2+]CCNCC ZINC001245991903 804095724 /nfs/dbraw/zinc/09/57/24/804095724.db2.gz IEEVGLBBGROVIJ-MRXNPFEDSA-N 1 1 272.477 3.077 20 30 CGEDMO CCCCCCCC[C@@H](O)C[NH2+][C@@H]1CNCCC1(C)C ZINC001246004336 804097906 /nfs/dbraw/zinc/09/79/06/804097906.db2.gz OSVQMVULCHDDNG-HZPDHXFCSA-N 1 1 284.488 3.076 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+]1CCN[C@H](C(C)C)C1 ZINC001246034827 804101812 /nfs/dbraw/zinc/10/18/12/804101812.db2.gz FIJJAGCJWUAENR-SJORKVTESA-N 1 1 284.488 3.028 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCN[C@H](C(C)C)C1 ZINC001246034827 804101818 /nfs/dbraw/zinc/10/18/18/804101818.db2.gz FIJJAGCJWUAENR-SJORKVTESA-N 1 1 284.488 3.028 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccccc2OCCC)C1 ZINC001139001351 804104881 /nfs/dbraw/zinc/10/48/81/804104881.db2.gz DBBWKFXMYNTPGG-HNNXBMFYSA-N 1 1 257.377 3.321 20 30 CGEDMO C=CCCCCCC[C@H](O)CN(C)[C@H]1CCCC[C@H]1[NH3+] ZINC001246068610 804108786 /nfs/dbraw/zinc/10/87/86/804108786.db2.gz WFIINFKXRBQJSM-BBWFWOEESA-N 1 1 282.472 3.076 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCCC[C@H]1COC ZINC001139028876 804111766 /nfs/dbraw/zinc/11/17/66/804111766.db2.gz HNSRWTPPPFPAFB-INIZCTEOSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](C(C)=O)C1 ZINC001139030884 804114154 /nfs/dbraw/zinc/11/41/54/804114154.db2.gz WTVDKFYUFVEHEZ-OAHLLOKOSA-N 1 1 273.376 3.052 20 30 CGEDMO CCCCCCCC[C@H](CC)[NH2+][C@H]1CNC[C@H]1F ZINC001246130362 804156647 /nfs/dbraw/zinc/15/66/47/804156647.db2.gz ZTNPXVPYQJNPKJ-ZNMIVQPWSA-N 1 1 258.425 3.415 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(N2CCCCC2)nc1 ZINC001139345117 804180098 /nfs/dbraw/zinc/18/00/98/804180098.db2.gz CKRYIVTWAIPMFJ-UHFFFAOYSA-N 1 1 273.424 3.470 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1-n1cncn1)C(C)(C)C ZINC001139423471 804188950 /nfs/dbraw/zinc/18/89/50/804188950.db2.gz XJWMREYZYVDBPU-UHFFFAOYSA-N 1 1 270.380 3.054 20 30 CGEDMO CCCCC[C@H]([NH3+])c1nc(-c2cc(C#N)ccc2F)no1 ZINC001212270826 814999055 /nfs/dbraw/zinc/99/90/55/814999055.db2.gz GLMJDUWKSJQTAK-ZDUSSCGKSA-N 1 1 288.326 3.327 20 30 CGEDMO CC[N@H+](Cc1cccnc1)Cc1ccc(C#N)c(F)c1 ZINC001139527221 804202259 /nfs/dbraw/zinc/20/22/59/804202259.db2.gz ATAGYUGGYBJVJW-UHFFFAOYSA-N 1 1 269.323 3.114 20 30 CGEDMO CC[N@@H+](Cc1cccnc1)Cc1ccc(C#N)c(F)c1 ZINC001139527221 804202265 /nfs/dbraw/zinc/20/22/65/804202265.db2.gz ATAGYUGGYBJVJW-UHFFFAOYSA-N 1 1 269.323 3.114 20 30 CGEDMO C#Cc1ccc(CN[C@@H]2CC[NH2+][C@H](CCCC)C2)cc1 ZINC001246268954 804248364 /nfs/dbraw/zinc/24/83/64/804248364.db2.gz XQKMGCKAICCPSO-QZTJIDSGSA-N 1 1 270.420 3.068 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2c[nH]c3c2cccc3C#N)C1 ZINC001139701894 804258064 /nfs/dbraw/zinc/25/80/64/804258064.db2.gz RVSDRQVRHVGVGE-LBPRGKRZSA-N 1 1 253.349 3.271 20 30 CGEDMO COc1ccc2c(c1)C[N@@H+](Cc1ccc(C)c(C#N)c1)CC2 ZINC001139723297 804268182 /nfs/dbraw/zinc/26/81/82/804268182.db2.gz ZPNQHYRRBVSNJD-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO COc1ccc2c(c1)C[N@H+](Cc1ccc(C)c(C#N)c1)CC2 ZINC001139723297 804268191 /nfs/dbraw/zinc/26/81/91/804268191.db2.gz ZPNQHYRRBVSNJD-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO C=CCn1cc(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)cn1 ZINC001139770749 804277873 /nfs/dbraw/zinc/27/78/73/804277873.db2.gz ZJEABRAORKMGBX-KRWDZBQOSA-N 1 1 281.403 3.134 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc3c(ccn3C)c2)no1 ZINC001212324893 815005162 /nfs/dbraw/zinc/00/51/62/815005162.db2.gz BCYXBHPKHAZKLI-AWEZNQCLSA-N 1 1 294.358 3.032 20 30 CGEDMO C=CCn1cc(C[N@H+](C)Cc2ccc(CC)cc2)cn1 ZINC001139772874 804279765 /nfs/dbraw/zinc/27/97/65/804279765.db2.gz RWFWCNRMOVQEKC-UHFFFAOYSA-N 1 1 269.392 3.264 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)[C@H]1CCC[C@H]1CCC ZINC001139874364 804305430 /nfs/dbraw/zinc/30/54/30/804305430.db2.gz WHNUDTOFRLPZLN-CVEARBPZSA-N 1 1 280.456 3.169 20 30 CGEDMO CC(C)[N@@H+](Cc1cc(F)cc(C#N)c1)C1CCN(C)CC1 ZINC001139878890 804307370 /nfs/dbraw/zinc/30/73/70/804307370.db2.gz YYQAWCGKVCYLEM-UHFFFAOYSA-N 1 1 289.398 3.002 20 30 CGEDMO C#CC1(N[C@H]2CC[NH2+][C@@H](C(C)(C)C)C2)CCCCC1 ZINC001246460965 804342645 /nfs/dbraw/zinc/34/26/45/804342645.db2.gz AWRLQHPUVWQYJT-LSDHHAIUSA-N 1 1 262.441 3.079 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(O)cc1Cl ZINC001140083476 804373473 /nfs/dbraw/zinc/37/34/73/804373473.db2.gz OQFIIHKHMADQFM-UOJUARBOSA-N 1 1 276.767 3.312 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(O)cc1Cl ZINC001140083476 804373482 /nfs/dbraw/zinc/37/34/82/804373482.db2.gz OQFIIHKHMADQFM-UOJUARBOSA-N 1 1 276.767 3.312 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)CC[C@]1(C)O ZINC001140110004 804378966 /nfs/dbraw/zinc/37/89/66/804378966.db2.gz CYGSTNZSMJOZFB-ACJLOTCBSA-N 1 1 297.402 3.022 20 30 CGEDMO CCCO[C@H]1CC[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140114370 804381575 /nfs/dbraw/zinc/38/15/75/804381575.db2.gz OHTYIARRTOVXGU-HNNXBMFYSA-N 1 1 283.375 3.040 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2Cc2ccccn2)c(F)c1 ZINC001140139287 804387243 /nfs/dbraw/zinc/38/72/43/804387243.db2.gz PUCOLIMJBNMYET-QGZVFWFLSA-N 1 1 295.361 3.299 20 30 CGEDMO C[C@H]1CC[C@@H](CN)[N@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001246539053 804388573 /nfs/dbraw/zinc/38/85/73/804388573.db2.gz AICMZEIFXVLMOG-BARLLCKDSA-N 1 1 297.446 3.202 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@@H+]1CCCC[C@@](O)(CN)C1 ZINC001246564946 804414090 /nfs/dbraw/zinc/41/40/90/804414090.db2.gz XUMOTVUFWGGFBU-IAGOWNOFSA-N 1 1 284.488 3.301 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CCCC[C@@](O)(CN)C1 ZINC001246564946 804414093 /nfs/dbraw/zinc/41/40/93/804414093.db2.gz XUMOTVUFWGGFBU-IAGOWNOFSA-N 1 1 284.488 3.301 20 30 CGEDMO CCCCCCC[C@H](CC)[N@@H+]1CCCC[C@@](O)(CN)C1 ZINC001246564943 804414255 /nfs/dbraw/zinc/41/42/55/804414255.db2.gz XUMOTVUFWGGFBU-DLBZAZTESA-N 1 1 284.488 3.301 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CCCC[C@@](O)(CN)C1 ZINC001246564943 804414259 /nfs/dbraw/zinc/41/42/59/804414259.db2.gz XUMOTVUFWGGFBU-DLBZAZTESA-N 1 1 284.488 3.301 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1ccncn1 ZINC001140347561 804419871 /nfs/dbraw/zinc/41/98/71/804419871.db2.gz NRJGEJHWWXCDLD-UHFFFAOYSA-N 1 1 253.349 3.055 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2ccc(-c3cncnc3)cc2)CC1 ZINC001140353806 804423298 /nfs/dbraw/zinc/42/32/98/804423298.db2.gz UOFQEMOGBHUKHN-HNNXBMFYSA-N 1 1 292.386 3.269 20 30 CGEDMO Cc1ccc(Cl)nc1C[NH+]1CCC(C)(C#N)CC1 ZINC001140444201 804436241 /nfs/dbraw/zinc/43/62/41/804436241.db2.gz NLLYIQNMCYJCFN-UHFFFAOYSA-N 1 1 263.772 3.169 20 30 CGEDMO CCCCCCCCCC[C@H](C)[N@H+]1CCNC[C@@H](O)C1 ZINC001246598145 804436777 /nfs/dbraw/zinc/43/67/77/804436777.db2.gz GYYYDCMNZMHABW-DLBZAZTESA-N 1 1 284.488 3.172 20 30 CGEDMO CCCCCCCCCC[C@H](C)N1CC[NH2+]C[C@@H](O)C1 ZINC001246598145 804436782 /nfs/dbraw/zinc/43/67/82/804436782.db2.gz GYYYDCMNZMHABW-DLBZAZTESA-N 1 1 284.488 3.172 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)CC1 ZINC001140466990 804442792 /nfs/dbraw/zinc/44/27/92/804442792.db2.gz OYCYNIXRWARRDC-NSHDSACASA-N 1 1 264.756 3.171 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(OC)c(OCC3CC3)c2)C1 ZINC001140490910 804447246 /nfs/dbraw/zinc/44/72/46/804447246.db2.gz INJOUGQSVKDVFB-HNNXBMFYSA-N 1 1 299.414 3.329 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)cn1 ZINC001140543706 804457956 /nfs/dbraw/zinc/45/79/56/804457956.db2.gz RJPDXDDYRJIYJZ-QGZVFWFLSA-N 1 1 277.371 3.333 20 30 CGEDMO C[N@@H+](CCc1ccccc1Cl)Cc1ccc(C#N)nc1 ZINC001140544635 804458343 /nfs/dbraw/zinc/45/83/43/804458343.db2.gz WYQKMKQKMYKRCE-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO CC[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(C#N)nc1 ZINC001140545963 804458894 /nfs/dbraw/zinc/45/88/94/804458894.db2.gz RDMFPXOLSGYARP-SFHVURJKSA-N 1 1 277.371 3.463 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(OC(F)(F)F)c(Cl)c1 ZINC001140558698 804459761 /nfs/dbraw/zinc/45/97/61/804459761.db2.gz BNBHZYCPDFCVNB-UHFFFAOYSA-N 1 1 277.673 3.304 20 30 CGEDMO N#Cc1cc(OC(F)(F)F)ccc1Nc1ccc[nH+]c1N ZINC001212408348 815021999 /nfs/dbraw/zinc/02/19/99/815021999.db2.gz FCFAHVJLSQUGNI-UHFFFAOYSA-N 1 1 294.236 3.178 20 30 CGEDMO N#Cc1ccc(Cl)c(C[N@H+]2CCC[C@@]3(CCOC3)C2)c1 ZINC001140600247 804471731 /nfs/dbraw/zinc/47/17/31/804471731.db2.gz DVISLUVUSUOOJC-MRXNPFEDSA-N 1 1 290.794 3.214 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(OC(F)F)c(O)c1 ZINC001140629635 804478266 /nfs/dbraw/zinc/47/82/66/804478266.db2.gz CEXIWFMVHXOYMQ-UHFFFAOYSA-N 1 1 271.307 3.392 20 30 CGEDMO COc1ccc(C[N@H+]2CCc3cc(C#N)ccc3C2)c(C)c1 ZINC001140673389 804487633 /nfs/dbraw/zinc/48/76/33/804487633.db2.gz LJRWAWHLQYOVSZ-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO COc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001140728733 804499533 /nfs/dbraw/zinc/49/95/33/804499533.db2.gz NRSAEAKNFWPCKQ-GFCCVEGCSA-N 1 1 278.783 3.474 20 30 CGEDMO COc1cccc(Cl)c1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001140728733 804499537 /nfs/dbraw/zinc/49/95/37/804499537.db2.gz NRSAEAKNFWPCKQ-GFCCVEGCSA-N 1 1 278.783 3.474 20 30 CGEDMO CC(C)[C@H]1CCC[N@H+]1Cc1cc(F)c(C#N)c(F)c1 ZINC001140757105 804506559 /nfs/dbraw/zinc/50/65/59/804506559.db2.gz VRQDAIUOTVILMW-OAHLLOKOSA-N 1 1 264.319 3.457 20 30 CGEDMO N#CC[C@H]1CCCN([C@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256919353 807011969 /nfs/dbraw/zinc/01/19/69/807011969.db2.gz CWURJRMSSAXXHQ-WBVHZDCISA-N 1 1 275.440 3.019 20 30 CGEDMO N#Cc1cccc(C[NH+]2CCC(F)CC2)c1Cl ZINC001140807465 804522969 /nfs/dbraw/zinc/52/29/69/804522969.db2.gz AHOQXGKGXBPHSB-UHFFFAOYSA-N 1 1 252.720 3.146 20 30 CGEDMO N#Cc1ccc(C2CCC([N@@H+]3C[C@H]4CC[C@]4(N)C3)CC2)cc1 ZINC001246862749 804566941 /nfs/dbraw/zinc/56/69/41/804566941.db2.gz RCKNZRUIQFBQKF-CHPDAQJUSA-N 1 1 295.430 3.008 20 30 CGEDMO N#Cc1ccc(C2CCC([N@H+]3C[C@H]4CC[C@]4(N)C3)CC2)cc1 ZINC001246862749 804566943 /nfs/dbraw/zinc/56/69/43/804566943.db2.gz RCKNZRUIQFBQKF-CHPDAQJUSA-N 1 1 295.430 3.008 20 30 CGEDMO C[N@H+](Cc1sc(N)c(C#N)c1Cl)C[C@H]1CC1(C)C ZINC001141114406 804591417 /nfs/dbraw/zinc/59/14/17/804591417.db2.gz NPQNARNTFMJKJS-MRVPVSSYSA-N 1 1 283.828 3.333 20 30 CGEDMO C#CC[N@H+](Cc1cc(O)ccc1O)[C@@H]1CCc2ccccc21 ZINC001141159802 804600446 /nfs/dbraw/zinc/60/04/46/804600446.db2.gz KRYFKIYMDZVIBC-GOSISDBHSA-N 1 1 293.366 3.221 20 30 CGEDMO C=CCOC1CCC([N@H+](CC(C)C)[C@@H]2CCCNC2)CC1 ZINC001246952281 804615511 /nfs/dbraw/zinc/61/55/11/804615511.db2.gz IWPOOPUQHSSNHD-LXPRWKDFSA-N 1 1 294.483 3.210 20 30 CGEDMO CSc1nc(C[N@H+]2CCC3(CCC3)C2)ccc1C#N ZINC001141941519 804680567 /nfs/dbraw/zinc/68/05/67/804680567.db2.gz MQRMAXXALGLVEL-UHFFFAOYSA-N 1 1 273.405 3.051 20 30 CGEDMO CSc1nc(C[NH+]2CCC(C(F)F)CC2)ccc1C#N ZINC001141941483 804681118 /nfs/dbraw/zinc/68/11/18/804681118.db2.gz LRHKCCYQWHEKEG-UHFFFAOYSA-N 1 1 297.374 3.152 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH3+])c1nc(-c2ccc3sccc3c2)no1 ZINC001247621458 804782054 /nfs/dbraw/zinc/78/20/54/804782054.db2.gz PFOIWJDNAGCEIC-IAQYHMDHSA-N 1 1 283.356 3.311 20 30 CGEDMO N#Cc1ccc2c(C[N@@H+]3CCCC[C@H](F)C3)c[nH]c2c1 ZINC001142912129 804783037 /nfs/dbraw/zinc/78/30/37/804783037.db2.gz VSOPCMYJQBWVAA-AWEZNQCLSA-N 1 1 271.339 3.364 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1Cc1c[nH]c2cc(C#N)ccc12 ZINC001142912096 804783670 /nfs/dbraw/zinc/78/36/70/804783670.db2.gz UQYYMNSMPLAJKA-GFCCVEGCSA-N 1 1 253.349 3.414 20 30 CGEDMO C[N@H+]1CCC[C@@H](CCNc2ccc3nc(C#N)ccc3c2)C1 ZINC001165289564 806987976 /nfs/dbraw/zinc/98/79/76/806987976.db2.gz FTCVTFWHONPUDT-AWEZNQCLSA-N 1 1 294.402 3.250 20 30 CGEDMO C[C@H]1CCC[N@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143163708 804812334 /nfs/dbraw/zinc/81/23/34/804812334.db2.gz KUHZGHIGPYKKHN-JTQLQIEISA-N 1 1 250.292 3.068 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143163708 804812339 /nfs/dbraw/zinc/81/23/39/804812339.db2.gz KUHZGHIGPYKKHN-JTQLQIEISA-N 1 1 250.292 3.068 20 30 CGEDMO Cc1cc(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)cc(C)c1F ZINC001143374107 804840058 /nfs/dbraw/zinc/84/00/58/804840058.db2.gz LRYDKXQCIDRLPV-CQSZACIVSA-N 1 1 291.391 3.217 20 30 CGEDMO Cc1cc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)cc(C)c1F ZINC001143374107 804840066 /nfs/dbraw/zinc/84/00/66/804840066.db2.gz LRYDKXQCIDRLPV-CQSZACIVSA-N 1 1 291.391 3.217 20 30 CGEDMO N#Cc1cccc(-c2noc([C@H]([NH3+])CC3CCCC3)n2)c1 ZINC001247834889 804845314 /nfs/dbraw/zinc/84/53/14/804845314.db2.gz NMRPXSIAACIYRN-CQSZACIVSA-N 1 1 282.347 3.188 20 30 CGEDMO COc1ccc(F)c(F)c1C[NH+]1CCC(CC#N)CC1 ZINC001143412147 804851226 /nfs/dbraw/zinc/85/12/26/804851226.db2.gz IUBMBMNKSZFJBP-UHFFFAOYSA-N 1 1 280.318 3.099 20 30 CGEDMO C=CC[N@@H+](C)Cc1cc(OC(F)(F)F)ccc1F ZINC001143545270 804863997 /nfs/dbraw/zinc/86/39/97/804863997.db2.gz SRKKFPNQJRIDBR-UHFFFAOYSA-N 1 1 263.234 3.342 20 30 CGEDMO C=CC[N@H+](C)Cc1cc(OC(F)(F)F)ccc1F ZINC001143545270 804864003 /nfs/dbraw/zinc/86/40/03/804864003.db2.gz SRKKFPNQJRIDBR-UHFFFAOYSA-N 1 1 263.234 3.342 20 30 CGEDMO N#Cc1cncc(C[N@@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC001144079841 804934261 /nfs/dbraw/zinc/93/42/61/804934261.db2.gz KUWQMTIFDXIJBW-KRWDZBQOSA-N 1 1 278.359 3.075 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC001144079841 804934265 /nfs/dbraw/zinc/93/42/65/804934265.db2.gz KUWQMTIFDXIJBW-KRWDZBQOSA-N 1 1 278.359 3.075 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(CC)c(O)c(CC)c2)C1 ZINC001144151344 804945128 /nfs/dbraw/zinc/94/51/28/804945128.db2.gz SOZNCATVZWVQAL-CQSZACIVSA-N 1 1 271.404 3.362 20 30 CGEDMO C=CCCCCCCNC(=O)N1CC[N@H+](CC)C[C@@H]1CC ZINC001248566504 804954365 /nfs/dbraw/zinc/95/43/65/804954365.db2.gz RYNNXHNVAXZEGN-INIZCTEOSA-N 1 1 295.471 3.249 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@@H+]1CCC(=O)[C@H]2CCCC[C@@H]21 ZINC001248748805 804982131 /nfs/dbraw/zinc/98/21/31/804982131.db2.gz WVDONZNUUHZLIE-ROUUACIJSA-N 1 1 296.414 3.454 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCC(=O)[C@H]2CCCC[C@@H]21 ZINC001248748805 804982133 /nfs/dbraw/zinc/98/21/33/804982133.db2.gz WVDONZNUUHZLIE-ROUUACIJSA-N 1 1 296.414 3.454 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCC[C@](C)(CO)CC1 ZINC001248748362 804982314 /nfs/dbraw/zinc/98/23/14/804982314.db2.gz HIMYOTKPORAGSI-SFHVURJKSA-N 1 1 286.419 3.105 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCC[C@@](C)(F)C1 ZINC001248748476 804982694 /nfs/dbraw/zinc/98/26/94/804982694.db2.gz KWUFBSVNSQVMQG-MRXNPFEDSA-N 1 1 260.356 3.445 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2c[nH]c3nc(Cl)ccc23)C1 ZINC001144415088 804984076 /nfs/dbraw/zinc/98/40/76/804984076.db2.gz BJSOEVCLQYSQSN-LLVKDONJSA-N 1 1 273.767 3.062 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001248751753 804984121 /nfs/dbraw/zinc/98/41/21/804984121.db2.gz JDJIOZZSUGZZBL-GJWQZFMSSA-N 1 1 279.387 3.387 20 30 CGEDMO CCO[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2CC)C1 ZINC001248751497 804984677 /nfs/dbraw/zinc/98/46/77/804984677.db2.gz YFXITPMKSZVYAL-QGZVFWFLSA-N 1 1 272.392 3.122 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)CCc2cccc(OC)c2)cc1 ZINC001144576928 805008727 /nfs/dbraw/zinc/00/87/27/805008727.db2.gz WGSMRVVGCYYPFA-UHFFFAOYSA-N 1 1 279.383 3.351 20 30 CGEDMO C#Cc1ccc(C[N@H+](CC)Cc2ccc3c(c2)OCO3)cc1 ZINC001144581073 805010829 /nfs/dbraw/zinc/01/08/29/805010829.db2.gz NCDAYRGPVKQNLD-UHFFFAOYSA-N 1 1 293.366 3.419 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2cccc3cc[nH]c32)CC1 ZINC001144717536 805038822 /nfs/dbraw/zinc/03/88/22/805038822.db2.gz WKCFTWIETSDPKN-ZDUSSCGKSA-N 1 1 253.349 3.294 20 30 CGEDMO CC1(C)C=Cc2c(O)c(C[N@@H+]3CCC[C@@H](C#N)C3)ccc2O1 ZINC001249252766 805121811 /nfs/dbraw/zinc/12/18/11/805121811.db2.gz UFKVBXSGZJANKG-ZDUSSCGKSA-N 1 1 298.386 3.312 20 30 CGEDMO CC1(C)C=Cc2c(O)c(C[N@H+]3CCC[C@@H](C#N)C3)ccc2O1 ZINC001249252766 805121817 /nfs/dbraw/zinc/12/18/17/805121817.db2.gz UFKVBXSGZJANKG-ZDUSSCGKSA-N 1 1 298.386 3.312 20 30 CGEDMO CCO[C@@H]1CCC[N@@H+](Cc2cc3ccc(C#N)cc3[nH]2)C1 ZINC001249429248 805146480 /nfs/dbraw/zinc/14/64/80/805146480.db2.gz SZJFMEUEAYSMSS-MRXNPFEDSA-N 1 1 283.375 3.040 20 30 CGEDMO N#Cc1ccc2cc(C[N@H+]3CC[C@H]4OCCC[C@@H]4C3)[nH]c2c1 ZINC001249426323 805146781 /nfs/dbraw/zinc/14/67/81/805146781.db2.gz MIRCUIIBOZQWMZ-CRAIPNDOSA-N 1 1 295.386 3.040 20 30 CGEDMO CO[C@@H]1CCC[N@@H+](Cc2cc3ccc(C#N)cc3[nH]2)CC1 ZINC001249429602 805147358 /nfs/dbraw/zinc/14/73/58/805147358.db2.gz IVDJUOITTGMUDC-MRXNPFEDSA-N 1 1 283.375 3.040 20 30 CGEDMO CCC[N@H+](CCCN(C)C)Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249430567 805149031 /nfs/dbraw/zinc/14/90/31/805149031.db2.gz YBCIIMZLGJXNFH-UHFFFAOYSA-N 1 1 298.434 3.203 20 30 CGEDMO CCC[N@@H+](CCCN(C)C)Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249430567 805149034 /nfs/dbraw/zinc/14/90/34/805149034.db2.gz YBCIIMZLGJXNFH-UHFFFAOYSA-N 1 1 298.434 3.203 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)CCCC(C)C)C2)C1 ZINC001148327544 805176244 /nfs/dbraw/zinc/17/62/44/805176244.db2.gz NBVBZBHYXCXERD-UHFFFAOYSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)CCCC(C)C)C2)C1 ZINC001148327544 805176247 /nfs/dbraw/zinc/17/62/47/805176247.db2.gz NBVBZBHYXCXERD-UHFFFAOYSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(C)C[N@@H+]1CCC2(CN(C(=O)CCCCC(C)C)C2)C1 ZINC001148462605 805183202 /nfs/dbraw/zinc/18/32/02/805183202.db2.gz IGOIGJJKLLTHFF-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO CCCCCCCNC(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@H+]2C1 ZINC001148483390 805187720 /nfs/dbraw/zinc/18/77/20/805187720.db2.gz FGGZMPZUNJMQFK-OAGGEKHMSA-N 1 1 280.456 3.193 20 30 CGEDMO C=C(C)C[N@@H+]1CCC2(CN(C(=O)C(C)(C)CC(C)C)C2)C1 ZINC001148583671 805197381 /nfs/dbraw/zinc/19/73/81/805197381.db2.gz VZFVACODIAULHZ-UHFFFAOYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(CN(C(=O)C(C)(CC)CC)C2)C1 ZINC001148783200 805209942 /nfs/dbraw/zinc/20/99/42/805209942.db2.gz CSIKVBXDINVPJK-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO N#Cc1cccc(C[NH+]2CC(c3ccccc3)C2)c1F ZINC001249687662 805210823 /nfs/dbraw/zinc/21/08/23/805210823.db2.gz NBEQXDASSYSKMP-UHFFFAOYSA-N 1 1 266.319 3.297 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1ccccc1C ZINC001151644206 805302253 /nfs/dbraw/zinc/30/22/53/805302253.db2.gz PUDYCUCKKSHHPL-OAHLLOKOSA-N 1 1 274.408 3.011 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1ccccc1C ZINC001151637507 805303455 /nfs/dbraw/zinc/30/34/55/805303455.db2.gz JTQUBZXEYLBIBH-OAHLLOKOSA-N 1 1 274.408 3.011 20 30 CGEDMO C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)C(C)C ZINC001151992598 805331025 /nfs/dbraw/zinc/33/10/25/805331025.db2.gz YSYXJTCSANILEM-OAHLLOKOSA-N 1 1 268.445 3.215 20 30 CGEDMO C=CCCC(=O)NC[C@@H](C)[N@@H+](CC)C[C@H](C)CC(C)C ZINC001152313439 805344898 /nfs/dbraw/zinc/34/48/98/805344898.db2.gz LTVFUEAWRSQPDJ-HZPDHXFCSA-N 1 1 282.472 3.461 20 30 CGEDMO CCC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)C#CC(C)C ZINC001153207606 805386946 /nfs/dbraw/zinc/38/69/46/805386946.db2.gz LXZAOYDAUUNDDM-OAGJVSPASA-N 1 1 292.467 3.219 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1cccc(F)c1C ZINC001153522286 805401793 /nfs/dbraw/zinc/40/17/93/805401793.db2.gz ZWZCGWABZZYFKR-CYBMUJFWSA-N 1 1 292.398 3.150 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)CCCCC(C)(C)C ZINC001153581349 805404302 /nfs/dbraw/zinc/40/43/02/805404302.db2.gz SYEQWLLBSPUXCK-MRXNPFEDSA-N 1 1 294.483 3.443 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)CCc1ccsc1 ZINC001153831181 805418042 /nfs/dbraw/zinc/41/80/42/805418042.db2.gz ZTAVFKFQHNMFKA-CQSZACIVSA-N 1 1 294.464 3.083 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001154276009 805444844 /nfs/dbraw/zinc/44/48/44/805444844.db2.gz YPMGEYHOYIDHHX-BZUAXINKSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)C(=C)C ZINC001154584750 805464633 /nfs/dbraw/zinc/46/46/33/805464633.db2.gz WRTVARWVABSVCW-CYBMUJFWSA-N 1 1 286.847 3.168 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)C(=C)C ZINC001154584750 805464638 /nfs/dbraw/zinc/46/46/38/805464638.db2.gz WRTVARWVABSVCW-CYBMUJFWSA-N 1 1 286.847 3.168 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)CC1CCC1 ZINC001154742344 805481308 /nfs/dbraw/zinc/48/13/08/805481308.db2.gz DFUKSDZEHVCCTG-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO CC#CCCCC(=O)NC[C@@H](C)[N@@H+](CC)CCC(C)(C)C ZINC001154747406 805483213 /nfs/dbraw/zinc/48/32/13/805483213.db2.gz PMKHJRVPWANTSF-MRXNPFEDSA-N 1 1 294.483 3.443 20 30 CGEDMO Cc1cc(C)[nH+]c(Nc2ccccc2OCC#N)c1 ZINC001212594864 815080788 /nfs/dbraw/zinc/08/07/88/815080788.db2.gz ABRIALOALPRJKE-UHFFFAOYSA-N 1 1 253.305 3.344 20 30 CGEDMO C=C(CC(C)C)C(=O)N1CC[N@@H+](C2CCCC2)[C@H](C)C1 ZINC001154889575 805505786 /nfs/dbraw/zinc/50/57/86/805505786.db2.gz QPIRYMAMKWQLOU-OAHLLOKOSA-N 1 1 278.440 3.064 20 30 CGEDMO C#CCCCNc1[nH+]cnc2c1ccn2C1CCCC1 ZINC001155013972 805522500 /nfs/dbraw/zinc/52/25/00/805522500.db2.gz GJJFJOAKDMIGSQ-UHFFFAOYSA-N 1 1 268.364 3.372 20 30 CGEDMO C=CCCC1(C(=O)NC[C@@H](C)[N@@H+](CC)C/C=C/Cl)CC1 ZINC001155037486 805527441 /nfs/dbraw/zinc/52/74/41/805527441.db2.gz SBTTYPUPZNQCFK-DPQIITEBSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)c1occc1CC ZINC001155066861 805532771 /nfs/dbraw/zinc/53/27/71/805532771.db2.gz PDBZXVNOHCFTIL-CQSZACIVSA-N 1 1 292.423 3.248 20 30 CGEDMO C[NH+](C)Cc1cccc(CC(=O)c2cccc(C#N)c2)c1F ZINC001250290024 805545142 /nfs/dbraw/zinc/54/51/42/805545142.db2.gz MTKMXVMZHICOBP-UHFFFAOYSA-N 1 1 296.345 3.184 20 30 CGEDMO Cc1ccc(CC#N)c(NC[C@@H]2CCC(F)(F)C2)[nH+]1 ZINC001155174654 805550842 /nfs/dbraw/zinc/55/08/42/805550842.db2.gz WYIOZRNYVFCXOU-LLVKDONJSA-N 1 1 265.307 3.303 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)c1cccs1 ZINC001155199900 805555216 /nfs/dbraw/zinc/55/52/16/805555216.db2.gz LSAJHBBRFODILL-KGLIPLIRSA-N 1 1 294.464 3.254 20 30 CGEDMO Cc1cccc(CCN(C)c2[nH+]c(C)ccc2CC#N)c1 ZINC001166824926 807106881 /nfs/dbraw/zinc/10/68/81/807106881.db2.gz MQYJVELQMZTOBL-UHFFFAOYSA-N 1 1 279.387 3.443 20 30 CGEDMO C=CCOC[C@H]1CCC[C@@]12C[N@@H+]([C@H](C)CCC)CCO2 ZINC001257322693 807108318 /nfs/dbraw/zinc/10/83/18/807108318.db2.gz ZKSBYBVZKIOPES-BRWVUGGUSA-N 1 1 281.440 3.249 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@H+](C(CCC)CCC)C2)C1=O ZINC001257338468 807113358 /nfs/dbraw/zinc/11/33/58/807113358.db2.gz XHURDSCDRAVAJU-SFHVURJKSA-N 1 1 292.467 3.456 20 30 CGEDMO N#Cc1ccccc1O[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001257356172 807120334 /nfs/dbraw/zinc/12/03/34/807120334.db2.gz SAVXGQFONSTTFI-MRXNPFEDSA-N 1 1 270.376 3.344 20 30 CGEDMO C=C(C)CN(CC)c1[nH+]cnc2c1ccn2C(C)C ZINC001167050688 807136815 /nfs/dbraw/zinc/13/68/15/807136815.db2.gz GVZPBCKPWRUUGS-UHFFFAOYSA-N 1 1 258.369 3.415 20 30 CGEDMO C=C[C@@H]1C[C@@]1([NH2+][C@@H](CC)CCCC)C(=O)OCC ZINC001257412995 807143497 /nfs/dbraw/zinc/14/34/97/807143497.db2.gz QFQOSNNPLKBZPA-IPYPFGDCSA-N 1 1 253.386 3.053 20 30 CGEDMO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](C1CCCCC1)C2 ZINC001257457494 807167165 /nfs/dbraw/zinc/16/71/65/807167165.db2.gz HUXCAFAODUPARM-SJORKVTESA-N 1 1 279.424 3.145 20 30 CGEDMO CCCCCCCCCC[C@@H](C)n1nnc(C[NH3+])n1 ZINC001257548682 807194929 /nfs/dbraw/zinc/19/49/29/807194929.db2.gz XRWFFLHFENZHGP-CYBMUJFWSA-N 1 1 267.421 3.224 20 30 CGEDMO C[C@@H](Cc1ccc(Br)cc1)[N@H+](C)CCC#N ZINC001257561907 807198932 /nfs/dbraw/zinc/19/89/32/807198932.db2.gz VRTFGDRTJBQBOR-NSHDSACASA-N 1 1 281.197 3.226 20 30 CGEDMO C[C@@H](Cc1ccc(Br)cc1)[N@@H+](C)CCC#N ZINC001257561907 807198936 /nfs/dbraw/zinc/19/89/36/807198936.db2.gz VRTFGDRTJBQBOR-NSHDSACASA-N 1 1 281.197 3.226 20 30 CGEDMO C=C(C)C(=O)NCCCNc1cc(C)c2ccc(C)cc2[nH+]1 ZINC001167666673 807224824 /nfs/dbraw/zinc/22/48/24/807224824.db2.gz YFWMCMUBJORPAJ-UHFFFAOYSA-N 1 1 297.402 3.346 20 30 CGEDMO C=C1C[C@@H]2CC([NH2+]C(C)(C)CCN(C)C)C[C@H](C1)C2 ZINC001257888441 807239979 /nfs/dbraw/zinc/23/99/79/807239979.db2.gz NCHACFWAGXIBQH-XYPWUTKMSA-N 1 1 264.457 3.441 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CCC[C@H]3CN(C)C)C[C@H](C1)C2 ZINC001257892700 807242305 /nfs/dbraw/zinc/24/23/05/807242305.db2.gz AXZPZTZRQILXSN-TVXGVJEUSA-N 1 1 262.441 3.147 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3C[C@@H]4CCCC(=O)[C@@H]4C3)C[C@H](C1)C2 ZINC001257894315 807243604 /nfs/dbraw/zinc/24/36/04/807243604.db2.gz OKQZEDPEBMTDQT-NFFSZXGFSA-N 1 1 273.420 3.422 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3C[C@H]4CCCN(C)[C@@H]4C3)C[C@H](C1)C2 ZINC001257894353 807244015 /nfs/dbraw/zinc/24/40/15/807244015.db2.gz QMCWDRPXQMFYGN-YUGHNKOSSA-N 1 1 274.452 3.147 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+](C)C3CCN(C(C)=O)CC3)C[C@H](C1)C2 ZINC001257894910 807244265 /nfs/dbraw/zinc/24/42/65/807244265.db2.gz CBRDDRQHIHIYCS-BYICEURKSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3C[C@H](C(=O)OC)C4(CC4)C3)C[C@H](C1)C2 ZINC001257893989 807244389 /nfs/dbraw/zinc/24/43/89/807244389.db2.gz HOJZGJVDTUXEGU-VFSICIBPSA-N 1 1 289.419 3.006 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+](CC)CCC(=O)OC)C[C@H](C1)C2 ZINC001257894560 807244448 /nfs/dbraw/zinc/24/44/48/807244448.db2.gz ZVLCGQJXPPGRLP-YIONKMFJSA-N 1 1 265.397 3.006 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CCC(=O)C(C)(C)C3)C[C@H](C1)C2 ZINC001257895045 807245173 /nfs/dbraw/zinc/24/51/73/807245173.db2.gz IGGOOOAXFXLJES-YIONKMFJSA-N 1 1 261.409 3.422 20 30 CGEDMO C=CC[C@@H]([NH2+][C@@H](C)CCCCCCC)C(=O)OC ZINC001258039443 807271216 /nfs/dbraw/zinc/27/12/16/807271216.db2.gz QDDMZIPWERIPIV-UONOGXRCSA-N 1 1 255.402 3.443 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC001258050733 807277414 /nfs/dbraw/zinc/27/74/14/807277414.db2.gz XFGFOAUDWFUSGH-CABCVRRESA-N 1 1 289.485 3.244 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1CCC[C@H]1C(=O)NCC ZINC001258052141 807277976 /nfs/dbraw/zinc/27/79/76/807277976.db2.gz LHCPLKBMNZIYFO-CABCVRRESA-N 1 1 268.445 3.336 20 30 CGEDMO N#Cc1cccc(O[C@@H]2CCC[N@H+]([C@@H]3C[C@H]4C[C@H]4C3)C2)c1 ZINC001167950087 807281679 /nfs/dbraw/zinc/28/16/79/807281679.db2.gz BDOVIRJHDNBBCU-KYHPRHEASA-N 1 1 282.387 3.200 20 30 CGEDMO C=CC[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168022503 807300776 /nfs/dbraw/zinc/30/07/76/807300776.db2.gz SMUZZWGMWMSTII-SCAQPMJSSA-N 1 1 258.409 3.204 20 30 CGEDMO C[C@H](C#N)N(C)[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168056077 807302333 /nfs/dbraw/zinc/30/23/33/807302333.db2.gz CEQVGBUHHDOGIZ-KYHPRHEASA-N 1 1 285.435 3.272 20 30 CGEDMO C[C@@H]1C[C@@H](N2CC(CC#N)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168041273 807303066 /nfs/dbraw/zinc/30/30/66/807303066.db2.gz RKUMPFNQWJDWJK-HGKCTWBKSA-N 1 1 297.446 3.273 20 30 CGEDMO CCOC(=O)CCC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001258127843 807316895 /nfs/dbraw/zinc/31/68/95/807316895.db2.gz XGQRBJVFDZNDHF-CQSZACIVSA-N 1 1 288.391 3.112 20 30 CGEDMO COc1ccc2c(c1)C[C@@H]([N@@H+](CCC#N)C1CCCC1)C2 ZINC001168271057 807369040 /nfs/dbraw/zinc/36/90/40/807369040.db2.gz BYZGDZUCRMMULE-KRWDZBQOSA-N 1 1 284.403 3.321 20 30 CGEDMO CCCCCCCCC[C@H](C)[N@@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC001258230010 807378355 /nfs/dbraw/zinc/37/83/55/807378355.db2.gz XEGKBIWKZMBRLR-KKUMJFAQSA-N 1 1 286.435 3.413 20 30 CGEDMO CCCCCCCCC[C@H](C)[N@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC001258230010 807378362 /nfs/dbraw/zinc/37/83/62/807378362.db2.gz XEGKBIWKZMBRLR-KKUMJFAQSA-N 1 1 286.435 3.413 20 30 CGEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H](C)CC1CC1)C2 ZINC001258464751 807465936 /nfs/dbraw/zinc/46/59/36/807465936.db2.gz USCLAHFGAVMXEN-BHYGNILZSA-N 1 1 279.424 3.001 20 30 CGEDMO C#CC[N@H+](C)[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC001258682426 807541496 /nfs/dbraw/zinc/54/14/96/807541496.db2.gz MLBWQISUIOEMTP-JTQLQIEISA-N 1 1 256.176 3.489 20 30 CGEDMO C=CCC[C@@H](C)[NH2+][C@@H](C(=O)OC)C1CCCCC1 ZINC001258717659 807567738 /nfs/dbraw/zinc/56/77/38/807567738.db2.gz WQDUYJPWINULAO-TZMCWYRMSA-N 1 1 253.386 3.053 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@]2(C[C@@H](OCC=C)CO2)C1 ZINC001258730360 807577990 /nfs/dbraw/zinc/57/79/90/807577990.db2.gz FVWJYJGFXGKHKW-BBWFWOEESA-N 1 1 279.424 3.167 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCC[C@@H]1CN1CCCC1 ZINC001258731299 807578076 /nfs/dbraw/zinc/57/80/76/807578076.db2.gz WEPRSANHZZHXEV-JKSUJKDBSA-N 1 1 250.430 3.291 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCc2cnc(C3CC3)nc2C1 ZINC001258735956 807581606 /nfs/dbraw/zinc/58/16/06/807581606.db2.gz GRMAKPKICLGQBN-GFCCVEGCSA-N 1 1 257.381 3.067 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)Cc1cn2ccc(C)cc2n1 ZINC001258735809 807581805 /nfs/dbraw/zinc/58/18/05/807581805.db2.gz CLCGIUXZTMCLSS-CQSZACIVSA-N 1 1 257.381 3.429 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](Oc2ccncc2)C1 ZINC001258735740 807582180 /nfs/dbraw/zinc/58/21/80/807582180.db2.gz AQLUGPVCZOAMEQ-GOEBONIOSA-N 1 1 260.381 3.280 20 30 CGEDMO CC[C@@H](Cc1ccccc1)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001258846333 807655980 /nfs/dbraw/zinc/65/59/80/807655980.db2.gz OZVSGIVECMMDIB-JKSUJKDBSA-N 1 1 287.428 3.282 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1C[C@@H]1COC2(CCCCC2)O1 ZINC001169862317 807717349 /nfs/dbraw/zinc/71/73/49/807717349.db2.gz DNLICXHBNFLPQJ-LSDHHAIUSA-N 1 1 265.397 3.103 20 30 CGEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H]1CC[C@H](C)C1)C2 ZINC001170143982 807774048 /nfs/dbraw/zinc/77/40/48/807774048.db2.gz BDEYBACQZDZNKM-LUKYLMHMSA-N 1 1 279.424 3.001 20 30 CGEDMO CC(C)c1cc([C@@H]2CCCN(CC3(C#N)CC3)C2)[nH]n1 ZINC001262020531 807809167 /nfs/dbraw/zinc/80/91/67/807809167.db2.gz DJRNBAGUVJWIMZ-CYBMUJFWSA-N 1 1 272.396 3.016 20 30 CGEDMO CC(C)c1cc([C@@H]2CCC[N@H+](CC3(C#N)CC3)C2)[nH]n1 ZINC001262020531 807809175 /nfs/dbraw/zinc/80/91/75/807809175.db2.gz DJRNBAGUVJWIMZ-CYBMUJFWSA-N 1 1 272.396 3.016 20 30 CGEDMO CC(C)c1cc([C@@H]2CCC[N@@H+](CC3(C#N)CC3)C2)[nH]n1 ZINC001262020531 807809184 /nfs/dbraw/zinc/80/91/84/807809184.db2.gz DJRNBAGUVJWIMZ-CYBMUJFWSA-N 1 1 272.396 3.016 20 30 CGEDMO CC1(C)[C@@H]2C[C@H]([N@H+]3CCc4ccc(C#N)cc4C3)C[C@@H]21 ZINC001170745835 807896495 /nfs/dbraw/zinc/89/64/95/807896495.db2.gz IIDMTLUMTWRIDZ-BJWYYQGGSA-N 1 1 266.388 3.351 20 30 CGEDMO C=CC[NH+]1CCN([C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170932566 807937263 /nfs/dbraw/zinc/93/72/63/807937263.db2.gz FQEBTGBKFGMBAI-HNNXBMFYSA-N 1 1 290.838 3.001 20 30 CGEDMO N#C[C@H]1CC[N@@H+]([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170935962 807939127 /nfs/dbraw/zinc/93/91/27/807939127.db2.gz WEJSOOFDIHPGFR-YPMHNXCESA-N 1 1 260.768 3.043 20 30 CGEDMO N#C[C@H]1CC[N@H+]([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170935962 807939132 /nfs/dbraw/zinc/93/91/32/807939132.db2.gz WEJSOOFDIHPGFR-YPMHNXCESA-N 1 1 260.768 3.043 20 30 CGEDMO Cc1cn2cc(NC3=CC[C@@H](C#N)CC3)ccc2[nH+]1 ZINC001212857335 815161178 /nfs/dbraw/zinc/16/11/78/815161178.db2.gz HAIUKZMYWHRRBF-GFCCVEGCSA-N 1 1 252.321 3.262 20 30 CGEDMO N#C[C@H]1CCC[N@H+]([C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001171002282 807956015 /nfs/dbraw/zinc/95/60/15/807956015.db2.gz UUIROSLDHRPXIC-DZGCQCFKSA-N 1 1 272.367 3.309 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001171222356 808012240 /nfs/dbraw/zinc/01/22/40/808012240.db2.gz GHHKWRJBFNCQAA-PILAGYSTSA-N 1 1 279.387 3.256 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCn2cccc2[C@@H]1C ZINC001171223917 808012380 /nfs/dbraw/zinc/01/23/80/808012380.db2.gz OGGYRFPYRYISAD-GJZGRUSLSA-N 1 1 279.387 3.368 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCn2cccc2[C@@H]1C ZINC001171223917 808012386 /nfs/dbraw/zinc/01/23/86/808012386.db2.gz OGGYRFPYRYISAD-GJZGRUSLSA-N 1 1 279.387 3.368 20 30 CGEDMO N#C[C@@H]1CCC[N@H+]([C@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171382713 808040645 /nfs/dbraw/zinc/04/06/45/808040645.db2.gz CYIVQXUHVGLZHR-DOMZBBRYSA-N 1 1 290.357 3.448 20 30 CGEDMO C=C/C(C)=C/CC(=O)N1CCCC[C@H]1C[N@H+](C)CC(=C)C ZINC001264184517 808045527 /nfs/dbraw/zinc/04/55/27/808045527.db2.gz VKYIJDYGFCQPEE-KGZWWPETSA-N 1 1 290.451 3.398 20 30 CGEDMO C=CCCCC(=O)N1CCCC[C@H]1C[N@@H+](C)CC1CCC1 ZINC001264184510 808046677 /nfs/dbraw/zinc/04/66/77/808046677.db2.gz VBPLIMWXTCVUEF-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@@H]2CCc3c(F)cccc3C2)C1 ZINC001171436517 808056464 /nfs/dbraw/zinc/05/64/64/808056464.db2.gz FWMYSYWNMNOQRZ-UKRRQHHQSA-N 1 1 257.352 3.028 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC1CCCCCC1 ZINC001264372598 808063991 /nfs/dbraw/zinc/06/39/91/808063991.db2.gz IICVVVUGCHQDSC-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C=C(CC)CC)[C@H]1CC ZINC001264604841 808079566 /nfs/dbraw/zinc/07/95/66/808079566.db2.gz KMTVHGDMLJLSSA-LSDHHAIUSA-N 1 1 298.858 3.454 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C=C(CC)CC)[C@H]1CC ZINC001264604841 808079574 /nfs/dbraw/zinc/07/95/74/808079574.db2.gz KMTVHGDMLJLSSA-LSDHHAIUSA-N 1 1 298.858 3.454 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)CC)CC(C)(C)C1 ZINC001264752350 808091967 /nfs/dbraw/zinc/09/19/67/808091967.db2.gz ZDRVSAMPNWUNQQ-CVEARBPZSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C/C=C(/C)C=C)CC(C)(C)C1 ZINC001264754004 808093216 /nfs/dbraw/zinc/09/32/16/808093216.db2.gz UFIKTRJMJIYZLZ-YMDFIQGPSA-N 1 1 290.451 3.302 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](CCOc2ccc(F)c(Cl)c2)C1 ZINC001171573904 808101851 /nfs/dbraw/zinc/10/18/51/808101851.db2.gz WGBFTWSXAQMEJC-GFCCVEGCSA-N 1 1 281.758 3.203 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCNC(=O)C1(CCC)CCC1 ZINC001265023981 808104562 /nfs/dbraw/zinc/10/45/62/808104562.db2.gz AZUQTMRSTCDARX-UHFFFAOYSA-N 1 1 286.847 3.147 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCNC(=O)C1(CCC)CCC1 ZINC001265023981 808104569 /nfs/dbraw/zinc/10/45/69/808104569.db2.gz AZUQTMRSTCDARX-UHFFFAOYSA-N 1 1 286.847 3.147 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCNC(=O)c1cc(C)ccc1C ZINC001265062605 808106673 /nfs/dbraw/zinc/10/66/73/808106673.db2.gz SKNZRJZFHNKIHH-UHFFFAOYSA-N 1 1 294.826 3.108 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCNC(=O)c1cc(C)ccc1C ZINC001265062605 808106678 /nfs/dbraw/zinc/10/66/78/808106678.db2.gz SKNZRJZFHNKIHH-UHFFFAOYSA-N 1 1 294.826 3.108 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCCNC(=O)c1ccoc1Cl ZINC001265110170 808111572 /nfs/dbraw/zinc/11/15/72/808111572.db2.gz FNFWNUMDCFORCM-UHFFFAOYSA-N 1 1 298.814 3.341 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[C@H](C[N@@H+](C)CCCF)C1 ZINC001265395270 808139905 /nfs/dbraw/zinc/13/99/05/808139905.db2.gz SFLHYPINWYCMJK-WBVHZDCISA-N 1 1 298.446 3.119 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@@H](C)C2CC2)C1 ZINC001265401141 808140074 /nfs/dbraw/zinc/14/00/74/808140074.db2.gz KWYTZGVTMGFRIQ-CVEARBPZSA-N 1 1 292.467 3.169 20 30 CGEDMO N#Cc1ccc2c(c1)CC[N@H+]([C@@H]1Cc3cccc(F)c3C1)C2 ZINC001171793200 808142106 /nfs/dbraw/zinc/14/21/06/808142106.db2.gz KIBYNDVNDKDILO-QGZVFWFLSA-N 1 1 292.357 3.223 20 30 CGEDMO N#CCC[N@@H+](C1CCCC1)[C@@H]1Cc2cccc(F)c2C1 ZINC001171800757 808143360 /nfs/dbraw/zinc/14/33/60/808143360.db2.gz AWRDISOBAUPHGD-OAHLLOKOSA-N 1 1 272.367 3.451 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1Cc2cccc(F)c2C1 ZINC001171806234 808144808 /nfs/dbraw/zinc/14/48/08/808144808.db2.gz AOMVDOKWUSEVNO-MHEUCROKSA-N 1 1 270.351 3.059 20 30 CGEDMO C=CC[N@@H+](Cc1cc(Cl)ccc1OC)[C@H](C)COC ZINC001171917510 808153737 /nfs/dbraw/zinc/15/37/37/808153737.db2.gz YGQCGARMVXSYRY-GFCCVEGCSA-N 1 1 283.799 3.372 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@@H]1CCC[N@H+](CC(=C)Cl)C1 ZINC001265588984 808158013 /nfs/dbraw/zinc/15/80/13/808158013.db2.gz LHUYGXWZDNKWIC-GJZGRUSLSA-N 1 1 298.858 3.169 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@@H]1CCC[N@@H+](CC(=C)Cl)C1 ZINC001265588984 808158016 /nfs/dbraw/zinc/15/80/16/808158016.db2.gz LHUYGXWZDNKWIC-GJZGRUSLSA-N 1 1 298.858 3.169 20 30 CGEDMO CCCC[N@H+](CC#N)C1CCC(C)(C(=O)OCC)CC1 ZINC001171956512 808158655 /nfs/dbraw/zinc/15/86/55/808158655.db2.gz COYZYCIEOFHXRR-UHFFFAOYSA-N 1 1 280.412 3.124 20 30 CGEDMO CCCC[N@@H+](CC#N)C1CCC(C)(C(=O)OCC)CC1 ZINC001171956512 808158663 /nfs/dbraw/zinc/15/86/63/808158663.db2.gz COYZYCIEOFHXRR-UHFFFAOYSA-N 1 1 280.412 3.124 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)CC=C)C1 ZINC001265592818 808159008 /nfs/dbraw/zinc/15/90/08/808159008.db2.gz KJUCAAIRFNTCHC-INIZCTEOSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@H]1CCC[N@H+](CCCC)C1 ZINC001265590598 808159079 /nfs/dbraw/zinc/15/90/79/808159079.db2.gz CVEMURSMGMQBSA-WBVHZDCISA-N 1 1 280.456 3.217 20 30 CGEDMO C#C[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171979678 808163051 /nfs/dbraw/zinc/16/30/51/808163051.db2.gz QBSRSAKZLBHFCM-DOTOQJQBSA-N 1 1 270.420 3.041 20 30 CGEDMO C#C[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171979678 808163054 /nfs/dbraw/zinc/16/30/54/808163054.db2.gz QBSRSAKZLBHFCM-DOTOQJQBSA-N 1 1 270.420 3.041 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)C1(F)CCCC1 ZINC001265647535 808164165 /nfs/dbraw/zinc/16/41/65/808164165.db2.gz PSMWBHCTPNCQOT-OAHLLOKOSA-N 1 1 296.430 3.206 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001265702859 808171079 /nfs/dbraw/zinc/17/10/79/808171079.db2.gz IUONSZJEROQDSA-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO CC#CCCCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1CC ZINC001265696886 808171102 /nfs/dbraw/zinc/17/11/02/808171102.db2.gz LKQXANACQALERH-DLBZAZTESA-N 1 1 290.451 3.045 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001265705767 808172361 /nfs/dbraw/zinc/17/23/61/808172361.db2.gz MRJQASRURLGMNQ-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC1(C#N)CCCCCC1)C2 ZINC001172102248 808174738 /nfs/dbraw/zinc/17/47/38/808174738.db2.gz LIUIRMHGFJKYID-MUJYYYPQSA-N 1 1 275.440 3.208 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCCNC(=O)c1ccc(C)cc1C ZINC001265965233 808196870 /nfs/dbraw/zinc/19/68/70/808196870.db2.gz YFFVLJFFGDBLCZ-UHFFFAOYSA-N 1 1 288.435 3.321 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+]([C@@H]2CSc3ccccc3C2)C1 ZINC001172204348 808197243 /nfs/dbraw/zinc/19/72/43/808197243.db2.gz ZTMBZIIWAMREKO-ZFWWWQNUSA-N 1 1 272.417 3.329 20 30 CGEDMO CC#CC[N@H+](CC)CCCNC(=O)[C@]1(C)CCC[C@@H]1CC ZINC001266054096 808205851 /nfs/dbraw/zinc/20/58/51/808205851.db2.gz HXOMUMNUACEWPI-FUHWJXTLSA-N 1 1 292.467 3.054 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]([N@H+](C)CCC(C)C)C1 ZINC001266103746 808211007 /nfs/dbraw/zinc/21/10/07/808211007.db2.gz XBLAOFPLKWOGPT-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCn2cccc2[C@H]1C ZINC001172311118 808223124 /nfs/dbraw/zinc/22/31/24/808223124.db2.gz PCRSDWPUEUSPEJ-LSDHHAIUSA-N 1 1 279.387 3.368 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCn2cccc2[C@H]1C ZINC001172311118 808223126 /nfs/dbraw/zinc/22/31/26/808223126.db2.gz PCRSDWPUEUSPEJ-LSDHHAIUSA-N 1 1 279.387 3.368 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cccs2)C1 ZINC001266200591 808226977 /nfs/dbraw/zinc/22/69/77/808226977.db2.gz OXDHOPRSFBGVCJ-ZIAGYGMSSA-N 1 1 292.448 3.297 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001266221990 808229575 /nfs/dbraw/zinc/22/95/75/808229575.db2.gz LVQDXFMIJNLVBY-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)CCCC(C)C)C1 ZINC001266239673 808231601 /nfs/dbraw/zinc/23/16/01/808231601.db2.gz GLXULHDZQIZAPR-MRXNPFEDSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001266240444 808231826 /nfs/dbraw/zinc/23/18/26/808231826.db2.gz VRXRBAQARGQJIN-BRWVUGGUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CCC)C(C)C)C1 ZINC001266239265 808231961 /nfs/dbraw/zinc/23/19/61/808231961.db2.gz AMHDBUSFASWAPK-CVEARBPZSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](CC)CCC)C1 ZINC001266243191 808232374 /nfs/dbraw/zinc/23/23/74/808232374.db2.gz OTUKLWFAFNSCLJ-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001266334144 808242966 /nfs/dbraw/zinc/24/29/66/808242966.db2.gz ZJCZVZXMQIZAGU-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)c1cc(C)ccc1F ZINC001266329631 808243142 /nfs/dbraw/zinc/24/31/42/808243142.db2.gz BQYKMUUTHQHXHQ-CQSZACIVSA-N 1 1 292.398 3.150 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@]2(C)C=CCC2)C1 ZINC001266336586 808244644 /nfs/dbraw/zinc/24/46/44/808244644.db2.gz RUHPJKVDASSRBZ-AEFFLSMTSA-N 1 1 290.451 3.280 20 30 CGEDMO CCCCCCC[C@H](CC)n1c(C)ncc(C[NH3+])c1=N ZINC001172347311 808245299 /nfs/dbraw/zinc/24/52/99/808245299.db2.gz SVXWYZKRWDHIGR-HNNXBMFYSA-N 1 1 278.444 3.441 20 30 CGEDMO CC#CC[N@@H+](C)CCNC(=O)CC(C)(C)C1CCCCC1 ZINC001266346780 808245973 /nfs/dbraw/zinc/24/59/73/808245973.db2.gz BWJPWIDNCSITFO-UHFFFAOYSA-N 1 1 292.467 3.054 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CCO[C@H](CC(=O)OC)C1 ZINC001172354781 808251566 /nfs/dbraw/zinc/25/15/66/808251566.db2.gz KREYXPNDSWLXPN-JKSUJKDBSA-N 1 1 299.455 3.389 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)/C=C/C(C)(C)C)C1 ZINC001266451185 808266748 /nfs/dbraw/zinc/26/67/48/808266748.db2.gz AXSXGNGAADAMCP-SIFUEBAJSA-N 1 1 292.467 3.335 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)CCC(=C)C)C1 ZINC001266459818 808268686 /nfs/dbraw/zinc/26/86/86/808268686.db2.gz TYACRVZMQJIVLR-INIZCTEOSA-N 1 1 278.440 3.089 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc[nH]c1 ZINC001266464924 808271163 /nfs/dbraw/zinc/27/11/63/808271163.db2.gz LHSMLRRPZBWLMC-MRXNPFEDSA-N 1 1 291.439 3.179 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@H]1CCC[N@H+]1CC=C(C)C ZINC001266477766 808271941 /nfs/dbraw/zinc/27/19/41/808271941.db2.gz VGYNLTZOBXCCLR-HZPDHXFCSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CCCC1 ZINC001266475902 808272046 /nfs/dbraw/zinc/27/20/46/808272046.db2.gz OQQNLGKDJFZQFQ-CALCHBBNSA-N 1 1 290.451 3.208 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H](CC)C(C)(C)C ZINC001266487990 808273893 /nfs/dbraw/zinc/27/38/93/808273893.db2.gz AFARPYXEVJCXOZ-JKSUJKDBSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)C[C@H](CC)C(C)C ZINC001266488012 808273986 /nfs/dbraw/zinc/27/39/86/808273986.db2.gz AMXVWTIHRZIMBK-HOTGVXAUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)C(C)(C)C(C)C)C1 ZINC001266513873 808279237 /nfs/dbraw/zinc/27/92/37/808279237.db2.gz IDQAAASVCQZBBA-CVEARBPZSA-N 1 1 294.483 3.461 20 30 CGEDMO C#Cc1cnc(Nc2ccc([NH+](CC)CC)cc2)c(C#C)n1 ZINC001212969104 815192296 /nfs/dbraw/zinc/19/22/96/815192296.db2.gz MSNZMVRITNDOMG-UHFFFAOYSA-N 1 1 290.370 3.029 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@H]1CCC[N@@H+](C/C=C/Cl)C1 ZINC001266752041 808312659 /nfs/dbraw/zinc/31/26/59/808312659.db2.gz NGMMQTNYHVUYGO-IZPAUZPXSA-N 1 1 298.858 3.169 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[C@@H](C)CC ZINC001266855658 808325652 /nfs/dbraw/zinc/32/56/52/808325652.db2.gz DSORMSOCFYBEKB-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO CCCC[N@@H+](CCC#N)[C@@H](C)CCOCC(C)C ZINC001172468837 808337090 /nfs/dbraw/zinc/33/70/90/808337090.db2.gz NYWMDJYIKWIJBO-HNNXBMFYSA-N 1 1 254.418 3.453 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CC[C@H](CC(=O)OC(C)(C)C)C1 ZINC001172498856 808354816 /nfs/dbraw/zinc/35/48/16/808354816.db2.gz RUILRTKOUDYNDT-UONOGXRCSA-N 1 1 280.412 3.122 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)/C(C)=C/CC)C1 ZINC001267102280 808357854 /nfs/dbraw/zinc/35/78/54/808357854.db2.gz ZJFGFSBBGWPIOU-AHQMPEJBSA-N 1 1 278.440 3.232 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCCC[C@H]1CN1CCCC1 ZINC001172504269 808360729 /nfs/dbraw/zinc/36/07/29/808360729.db2.gz FRMNVCNYKZXAFQ-HOTGVXAUSA-N 1 1 263.429 3.019 20 30 CGEDMO C[C@@H](CCCC#N)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC001172504269 808360739 /nfs/dbraw/zinc/36/07/39/808360739.db2.gz FRMNVCNYKZXAFQ-HOTGVXAUSA-N 1 1 263.429 3.019 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001172507049 808361797 /nfs/dbraw/zinc/36/17/97/808361797.db2.gz ODQFXFRLUJEKTI-UONOGXRCSA-N 1 1 280.412 3.122 20 30 CGEDMO CCCCCCC[C@@H](CCC)[N@H+]1CCO[C@@H](CO)C1 ZINC001172507864 808363802 /nfs/dbraw/zinc/36/38/02/808363802.db2.gz BZZJMHHPEHSJQS-HZPDHXFCSA-N 1 1 271.445 3.209 20 30 CGEDMO CCCCCCC[C@H](CCC)[NH2+][C@@](N)(CC)CO ZINC001172508384 808365150 /nfs/dbraw/zinc/36/51/50/808365150.db2.gz JTZCFBFLMFDDPO-GJZGRUSLSA-N 1 1 258.450 3.163 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)CCCC#CC ZINC001267173076 808373579 /nfs/dbraw/zinc/37/35/79/808373579.db2.gz FGSBILNRRREQAI-KRWDZBQOSA-N 1 1 290.451 3.117 20 30 CGEDMO C#CCCCC(=O)NCC[N@H+](C)CC[C@H]1CCC[C@@H](C)C1 ZINC001267193441 808378804 /nfs/dbraw/zinc/37/88/04/808378804.db2.gz QBSMWGSEPLDNMR-IAGOWNOFSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)[C@H]1CCCC[C@H]1C1CC1 ZINC001267209779 808381208 /nfs/dbraw/zinc/38/12/08/808381208.db2.gz LJOSXNANHMWGBW-IRXDYDNUSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1CCCC12CC2 ZINC001267245330 808394473 /nfs/dbraw/zinc/39/44/73/808394473.db2.gz DPOBQYTTWGXOLP-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCCCCCC(=O)NC[C@H]1CCC[N@@H+]1CC=C(C)C ZINC001267271683 808400675 /nfs/dbraw/zinc/40/06/75/808400675.db2.gz AFMBIVSFCBIVIR-QGZVFWFLSA-N 1 1 290.451 3.117 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)C2(CC(C)C)CCC2)C1 ZINC001267297757 808406531 /nfs/dbraw/zinc/40/65/31/808406531.db2.gz JRHPFSNMULTAGO-INIZCTEOSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](CCC)C(C)C)C1 ZINC001267302713 808408518 /nfs/dbraw/zinc/40/85/18/808408518.db2.gz HBOMKFWHLOMNMN-SJORKVTESA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](CC)CCC)C1 ZINC001267304588 808408795 /nfs/dbraw/zinc/40/87/95/808408795.db2.gz KJUPIOHZDPJGBG-CVEARBPZSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)c1cc2occc2s1 ZINC001267318169 808413547 /nfs/dbraw/zinc/41/35/47/808413547.db2.gz STXYRQMRYSEPGW-UHFFFAOYSA-N 1 1 292.404 3.122 20 30 CGEDMO C=C(C)C[N@@H+](CCNC(=O)C(C)(C)C1CCCC1)C1CC1 ZINC001267327248 808415179 /nfs/dbraw/zinc/41/51/79/808415179.db2.gz HDYGZDXRJDBVGQ-UHFFFAOYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)C1(F)CCCCC1)C(C)C ZINC001267334183 808417185 /nfs/dbraw/zinc/41/71/85/808417185.db2.gz BDYCJIJAOUMUKQ-UHFFFAOYSA-N 1 1 298.446 3.452 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)C12CCC(CC1)C2)C(C)C ZINC001267504163 808435019 /nfs/dbraw/zinc/43/50/19/808435019.db2.gz OVWBTXDTBRKTIT-UHFFFAOYSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CC[N@H+](CCCNC(=O)C1(CC)CCCCC1)C(C)C ZINC001267512853 808436994 /nfs/dbraw/zinc/43/69/94/808436994.db2.gz XHCFVLNFEXEKLL-UHFFFAOYSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC(C)(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)CC ZINC001267530293 808440504 /nfs/dbraw/zinc/44/05/04/808440504.db2.gz PMQOUCPGOSMQMT-HRCADAONSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)CCC=C ZINC001267533263 808440595 /nfs/dbraw/zinc/44/05/95/808440595.db2.gz YWPAIVGRRXTLRQ-YESZJQIVSA-N 1 1 290.451 3.373 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H](CCNC(=O)C2CCCCC2)C1 ZINC001267549159 808444224 /nfs/dbraw/zinc/44/42/24/808444224.db2.gz BVEFJZGWCMBMPN-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCCCC(=O)N(CCC)[C@@H]1CC[N@@H+](CCC)C1 ZINC001267546513 808444745 /nfs/dbraw/zinc/44/47/45/808444745.db2.gz PUWHLTNRSAUJPA-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](CCNC(=O)C2(CC=C)CCC2)C1 ZINC001267564564 808448050 /nfs/dbraw/zinc/44/80/50/808448050.db2.gz BZYBZOSKQLECHF-INIZCTEOSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)CCC(C)C)C1 ZINC001267578021 808451175 /nfs/dbraw/zinc/45/11/75/808451175.db2.gz VGBLYRBKONPEKL-INIZCTEOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@H]1CCN(C(=O)C2(CC)CC2)C1 ZINC001267588712 808453162 /nfs/dbraw/zinc/45/31/62/808453162.db2.gz IMCKXRKDMZHCMP-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CCC(=O)N1CCC(C[N@H+](C)C[C@@H](F)CC)CC1 ZINC001267599065 808455373 /nfs/dbraw/zinc/45/53/73/808455373.db2.gz AXZMUJFGJMRRJT-INIZCTEOSA-N 1 1 298.446 3.261 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)C2(F)CCCCC2)C1 ZINC001267594203 808455895 /nfs/dbraw/zinc/45/58/95/808455895.db2.gz AVNILRPEXKHQJX-OAHLLOKOSA-N 1 1 296.430 3.063 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](C)CC(C)C)C1 ZINC001267619696 808458582 /nfs/dbraw/zinc/45/85/82/808458582.db2.gz ZBPHFTKGAHMBLM-HZPDHXFCSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[C@H](C[N@@H+](C)CCC2CC2)C1 ZINC001267671171 808469922 /nfs/dbraw/zinc/46/99/22/808469922.db2.gz RLIJQJAHMJULLB-NVXWUHKLSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@@H](C[N@@H+](C)CC=C(C)C)C1 ZINC001267684980 808470912 /nfs/dbraw/zinc/47/09/12/808470912.db2.gz VRWVYTAXRTXZMK-WMZOPIPTSA-N 1 1 292.467 3.335 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@H](C[N@@H+](C)CC=C(C)C)C1 ZINC001267684977 808471561 /nfs/dbraw/zinc/47/15/61/808471561.db2.gz VRWVYTAXRTXZMK-AEFFLSMTSA-N 1 1 292.467 3.335 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC(C)(C)C ZINC001267711989 808474099 /nfs/dbraw/zinc/47/40/99/808474099.db2.gz JXADFFAAZRLEFU-JYJNAYRXSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CC(C)(C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCC1 ZINC001267705880 808474439 /nfs/dbraw/zinc/47/44/39/808474439.db2.gz RJGLQTMOWHBPMW-HOTGVXAUSA-N 1 1 290.451 3.064 20 30 CGEDMO C#CCCCC(=O)N[C@H]1CC[N@H+]([C@@H](CC)c2ccccc2)C1 ZINC001267722051 808477001 /nfs/dbraw/zinc/47/70/01/808477001.db2.gz UWSXKKKNXRUKOH-ROUUACIJSA-N 1 1 298.430 3.132 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001267741744 808480347 /nfs/dbraw/zinc/48/03/47/808480347.db2.gz KVBLOVLRBONZBY-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC(=O)N(C)[C@@H]1CC[N@@H+](C/C=C\c2ccccc2)C1 ZINC001267757223 808485464 /nfs/dbraw/zinc/48/54/64/808485464.db2.gz AKYGDYOMUIKVHF-IBWPDUFMSA-N 1 1 298.430 3.199 20 30 CGEDMO CCCC[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172979309 808497214 /nfs/dbraw/zinc/49/72/14/808497214.db2.gz CVHKQUGALNOYEQ-KGLIPLIRSA-N 1 1 295.427 3.010 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)C2(CC=C)CCCC2)C1 ZINC001268152918 808550056 /nfs/dbraw/zinc/55/00/56/808550056.db2.gz FNKXDEHMKZEUDG-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)/C(C)=C/CC)C1 ZINC001268159185 808551575 /nfs/dbraw/zinc/55/15/75/808551575.db2.gz JQRYPAUKZHRGEF-GQXMGIGRSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCCCCC[NH+]1CC(NC(=O)C2(F)CCCCC2)C1 ZINC001268467629 808590382 /nfs/dbraw/zinc/59/03/82/808590382.db2.gz WFZBIKSGWBXUJY-UHFFFAOYSA-N 1 1 296.430 3.206 20 30 CGEDMO C=CC[C@@H](C(=O)NC1C[NH+](CCC(=C)C)C1)c1ccccc1 ZINC001268483580 808592242 /nfs/dbraw/zinc/59/22/42/808592242.db2.gz OVNQJMQZIHLPBQ-GOSISDBHSA-N 1 1 298.430 3.113 20 30 CGEDMO C=CCOC1CCC([N@H+]2CCC3(C2)CCOCC3)CC1 ZINC001173327788 808614519 /nfs/dbraw/zinc/61/45/19/808614519.db2.gz RUUJEGHVHCXALG-UHFFFAOYSA-N 1 1 279.424 3.003 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)C[C@@H](C)c1ccccc1 ZINC001268755526 808623829 /nfs/dbraw/zinc/62/38/29/808623829.db2.gz AKCQCXPARLIFPT-CVEARBPZSA-N 1 1 288.435 3.193 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)c1cc2ccccc2o1 ZINC001268757025 808625513 /nfs/dbraw/zinc/62/55/13/808625513.db2.gz QRNNPDWUKDSPII-ZDUSSCGKSA-N 1 1 286.375 3.059 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)c1cc2ccccc2[nH]1 ZINC001268757387 808626121 /nfs/dbraw/zinc/62/61/21/808626121.db2.gz SHYHQHMRMKJNBY-AWEZNQCLSA-N 1 1 299.418 3.184 20 30 CGEDMO C=CC[N@H+]([C@@H](C)CCCCC(=O)OC)C(C)(C)C ZINC001173460389 808641070 /nfs/dbraw/zinc/64/10/70/808641070.db2.gz XBZCZYXOZKZOHS-ZDUSSCGKSA-N 1 1 255.402 3.395 20 30 CGEDMO CC1(C#N)CCC([NH+]2CCC(N)(c3ccccc3)CC2)CC1 ZINC001173590787 808648210 /nfs/dbraw/zinc/64/82/10/808648210.db2.gz CGVNTNIWPRGHGZ-UHFFFAOYSA-N 1 1 297.446 3.409 20 30 CGEDMO CC1(C#N)CCC([N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)CC1 ZINC001173593144 808649772 /nfs/dbraw/zinc/64/97/72/808649772.db2.gz DUUQXHLTLHSYQC-IGJPJIBNSA-N 1 1 254.324 3.046 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CCOc3ccccc3C2)CC1 ZINC001173596427 808649981 /nfs/dbraw/zinc/64/99/81/808649981.db2.gz WUNXUXVIDLWAPP-UHFFFAOYSA-N 1 1 270.376 3.353 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC001269159421 808651522 /nfs/dbraw/zinc/65/15/22/808651522.db2.gz DBZOZQJMAGMTOV-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](N(C)C(=O)c2ccc[nH]2)C1 ZINC001269208496 808655422 /nfs/dbraw/zinc/65/54/22/808655422.db2.gz MPHBGMSXPBXRGO-HNNXBMFYSA-N 1 1 291.439 3.131 20 30 CGEDMO C=CC(C)(C)C(=O)N(C)[C@H]1CC[N@H+](CCCC(C)C)C1 ZINC001269263575 808661228 /nfs/dbraw/zinc/66/12/28/808661228.db2.gz REZGHIXDGWTPDL-HNNXBMFYSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)C(=C)C)C1 ZINC001269264129 808661595 /nfs/dbraw/zinc/66/15/95/808661595.db2.gz VUFVKUVBWWDDCD-CVEARBPZSA-N 1 1 292.467 3.476 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H]1CC[N@@H+]1C/C=C/c1ccccc1 ZINC001269272968 808662010 /nfs/dbraw/zinc/66/20/10/808662010.db2.gz QBXTWSOTIOMBNM-VGMNTSGFSA-N 1 1 298.430 3.103 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H]1CC[N@H+]1C/C=C/c1ccccc1 ZINC001269272968 808662011 /nfs/dbraw/zinc/66/20/11/808662011.db2.gz QBXTWSOTIOMBNM-VGMNTSGFSA-N 1 1 298.430 3.103 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](CC)CCCCC)C1 ZINC001269296802 808666277 /nfs/dbraw/zinc/66/62/77/808666277.db2.gz RKWNCWWAOJEVAT-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)CC(C)(C)C)C1 ZINC001269295345 808666515 /nfs/dbraw/zinc/66/65/15/808666515.db2.gz CISANORWZKIGEC-CQSZACIVSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)CCC2CCC2)C1 ZINC001269317979 808669508 /nfs/dbraw/zinc/66/95/08/808669508.db2.gz IMMOMMAYBOTMCC-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)C(CCC)CCC)C2)C1 ZINC001269737300 808702447 /nfs/dbraw/zinc/70/24/47/808702447.db2.gz PUBPDNKTSCCYCI-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@]1(C)CC[N@H+](C[C@@H](F)CC)C1 ZINC001270590681 808738000 /nfs/dbraw/zinc/73/80/00/808738000.db2.gz QEJIWAOPQSKDEZ-DOTOQJQBSA-N 1 1 296.430 3.084 20 30 CGEDMO C=C(C)CCC(=O)N[C@@]1(C)CC[N@@H+](CC2CCCC2)C1 ZINC001270589565 808738667 /nfs/dbraw/zinc/73/86/67/808738667.db2.gz IFGRRSLJZGLVPQ-KRWDZBQOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CCC(=O)NC[C@]1(C)CCC[N@H+](CC[C@@H](C)F)C1 ZINC001270965629 808756183 /nfs/dbraw/zinc/75/61/83/808756183.db2.gz LXFZPPSKAYQHRV-WBVHZDCISA-N 1 1 298.446 3.309 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)C(C)(CC)CC)C1 ZINC001271016460 808758652 /nfs/dbraw/zinc/75/86/52/808758652.db2.gz GTTHCLYJBYDMOT-INIZCTEOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC=C(C)C)C2 ZINC001271416135 808769733 /nfs/dbraw/zinc/76/97/33/808769733.db2.gz ZJXXNEIUIKKBNQ-BBWFWOEESA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CN(C(=O)C[C@H](CC)C(C)C)C[C@H]2C1 ZINC001271892668 808787769 /nfs/dbraw/zinc/78/77/69/808787769.db2.gz VIYNESHVQMFBLJ-YESZJQIVSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)CC ZINC001272005945 808792114 /nfs/dbraw/zinc/79/21/14/808792114.db2.gz PRMAAKWAQVATPT-HRCADAONSA-N 1 1 278.440 3.064 20 30 CGEDMO CC#CCCCC(=O)N(C)CC[N@@H+](C)CCCC(C)(C)C ZINC001272087427 808796805 /nfs/dbraw/zinc/79/68/05/808796805.db2.gz QUIMFXUDJHQSRY-UHFFFAOYSA-N 1 1 294.483 3.397 20 30 CGEDMO C=C(C)CN1CC[C@]2(CCC[N@H+](C[C@@H](C)CC)CC2)C1=O ZINC001272422491 808807280 /nfs/dbraw/zinc/80/72/80/808807280.db2.gz SDPSAMKFEFBLKA-FUHWJXTLSA-N 1 1 292.467 3.313 20 30 CGEDMO CCCCCCCC[N@H+]1CCC[C@]12CCN(C)C2=O ZINC001272478877 808813146 /nfs/dbraw/zinc/81/31/46/808813146.db2.gz RDNLOMTWQXAZOS-MRXNPFEDSA-N 1 1 266.429 3.044 20 30 CGEDMO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(C)cc2C)C1=O ZINC001272638145 808818372 /nfs/dbraw/zinc/81/83/72/808818372.db2.gz FXHCIDDMRUBDSK-IBGZPJMESA-N 1 1 298.430 3.056 20 30 CGEDMO C=CCCCCCC[N@H+]1CCC[C@]12CCN(CC=C)C2=O ZINC001272701185 808821915 /nfs/dbraw/zinc/82/19/15/808821915.db2.gz DYHLIOVBRCVTQY-GOSISDBHSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CC[C@]2(CCN(C)C2=O)C1 ZINC001272716061 808822431 /nfs/dbraw/zinc/82/24/31/808822431.db2.gz WARKPGJKRUAZQB-GOSISDBHSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@@H+]2CC2(C)CCCCC2)C1=O ZINC001273451391 808846381 /nfs/dbraw/zinc/84/63/81/808846381.db2.gz XLHHBJOKTDLLSO-GOSISDBHSA-N 1 1 290.451 3.210 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)C=C(CC)CC ZINC001275100010 808907592 /nfs/dbraw/zinc/90/75/92/808907592.db2.gz DDJSYKNZXRYOEX-INIZCTEOSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)C1(CC)CCC1 ZINC001275134951 808913597 /nfs/dbraw/zinc/91/35/97/808913597.db2.gz DOYXNLSUFUDIQS-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO CCCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2Cc1cn[nH]c1 ZINC001275131886 808914272 /nfs/dbraw/zinc/91/42/72/808914272.db2.gz ZRGOGNMHICYQBJ-CALCHBBNSA-N 1 1 290.455 3.029 20 30 CGEDMO CCCCCCCC[N@H+]1CCC[C@]2(CN(C)CCO2)C1 ZINC001275131446 808914435 /nfs/dbraw/zinc/91/44/35/808914435.db2.gz RPGOEPXWAGOFBO-KRWDZBQOSA-N 1 1 282.472 3.144 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC(C)(C)C1 ZINC001275144340 808916485 /nfs/dbraw/zinc/91/64/85/808916485.db2.gz YAHSPYMUVQQYGR-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](CC)CCC ZINC001275150530 808917168 /nfs/dbraw/zinc/91/71/68/808917168.db2.gz ITRCVKHKDIEUQJ-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)Cc1ccccc1 ZINC001275593125 808949928 /nfs/dbraw/zinc/94/99/28/808949928.db2.gz YNDJTLVXYPIRPP-CVEARBPZSA-N 1 1 288.435 3.020 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H](C)C[N@H+](C)CC/C=C/CC ZINC001275615710 808952163 /nfs/dbraw/zinc/95/21/63/808952163.db2.gz SUCWTGADTYBXRP-FEAKQIBJSA-N 1 1 280.456 3.382 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC1(C)C ZINC001275622350 808952488 /nfs/dbraw/zinc/95/24/88/808952488.db2.gz OQHSTFDNDIBHJR-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC1(C)C ZINC001275622351 808952874 /nfs/dbraw/zinc/95/28/74/808952874.db2.gz OQHSTFDNDIBHJR-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO N#Cc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCCC2)cc1 ZINC001275829315 808969854 /nfs/dbraw/zinc/96/98/54/808969854.db2.gz WEDNXRKYXLAOSG-KDURUIRLSA-N 1 1 295.430 3.149 20 30 CGEDMO C=CCCCCCN1CC2(CC[N@H+]2C2CCCC2)C1 ZINC001276041808 808986060 /nfs/dbraw/zinc/98/60/60/808986060.db2.gz ZYSJAUYFXVZUQW-UHFFFAOYSA-N 1 1 262.441 3.436 20 30 CGEDMO C=CCCCCC[NH+]1CC2(CCN2C2CCCC2)C1 ZINC001276041808 808986063 /nfs/dbraw/zinc/98/60/63/808986063.db2.gz ZYSJAUYFXVZUQW-UHFFFAOYSA-N 1 1 262.441 3.436 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1C[N@H+](C[C@@H](F)CC)CC1(C)C ZINC001276586519 809018687 /nfs/dbraw/zinc/01/86/87/809018687.db2.gz KOOFRYVMHSJBIG-KBPBESRZSA-N 1 1 298.446 3.163 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@H]1CC[N@H+]1CC1CCCCC1 ZINC001276860115 809037275 /nfs/dbraw/zinc/03/72/75/809037275.db2.gz INCZCKGEDILKEG-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1CC[N@H+]1CCC1=CCCCC1 ZINC001276900196 809041104 /nfs/dbraw/zinc/04/11/04/809041104.db2.gz QSTKXWPZVBCTOE-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]cc1C ZINC001276971084 809051063 /nfs/dbraw/zinc/05/10/63/809051063.db2.gz YDDVXGUXVYYXQZ-OAHLLOKOSA-N 1 1 291.439 3.098 20 30 CGEDMO C[N@H+]1CCCC2(CCN(c3cc(C#N)ccc3F)CC2)C1 ZINC001277022215 809054254 /nfs/dbraw/zinc/05/42/54/809054254.db2.gz AYXURKYVHWFAFP-UHFFFAOYSA-N 1 1 287.382 3.010 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CC[C@]2(CCC[C@@H]2C(N)=O)C1 ZINC001277167355 809061548 /nfs/dbraw/zinc/06/15/48/809061548.db2.gz RVSWLNCGTLPRLE-SJLPKXTDSA-N 1 1 292.467 3.491 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@@]2(CCC[C@H]2C(N)=O)C1 ZINC001277230323 809064102 /nfs/dbraw/zinc/06/41/02/809064102.db2.gz FTVKZFHETYLALX-RDJZCZTQSA-N 1 1 280.456 3.324 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)[C@](C)(CC)CCC)CC1 ZINC001277434959 809075090 /nfs/dbraw/zinc/07/50/90/809075090.db2.gz IFSNPCCQOJSCQP-QGZVFWFLSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)[C@@](C)(CC)CCC)CC1 ZINC001277434956 809076099 /nfs/dbraw/zinc/07/60/99/809076099.db2.gz IFSNPCCQOJSCQP-KRWDZBQOSA-N 1 1 280.456 3.312 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CC[C@H]2C[C@]21C(=O)N(C)C ZINC001278037161 809113168 /nfs/dbraw/zinc/11/31/68/809113168.db2.gz LCHPADDHKFUALO-KTGWGUMDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C/C=C\Cl ZINC001278315231 809124665 /nfs/dbraw/zinc/12/46/65/809124665.db2.gz QGIGPXALLWJUFI-AHNYADABSA-N 1 1 296.842 3.161 20 30 CGEDMO C#CCC[N@@H+]1CC[C@](C)(NC(=O)CCCCC(C)(C)C)C1 ZINC001278396041 809130379 /nfs/dbraw/zinc/13/03/79/809130379.db2.gz LXJKMPIVECKZFI-SFHVURJKSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)C2(CCF)CC2)C1 ZINC001278413373 809130799 /nfs/dbraw/zinc/13/07/99/809130799.db2.gz BYNAKAAPWYTAJU-GDBMZVCRSA-N 1 1 296.430 3.062 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@](C)(NC(=O)[C@H](F)CC)C1 ZINC001278413779 809131511 /nfs/dbraw/zinc/13/15/11/809131511.db2.gz KHHCZDOVDJQYQW-GDBMZVCRSA-N 1 1 286.435 3.286 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)CCC(C)C)CCC[C@@H]12 ZINC001278431959 809133329 /nfs/dbraw/zinc/13/33/29/809133329.db2.gz SVGQSDFUXJYUOF-WBVHZDCISA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)CC3(C)CC3)CCC[C@H]12 ZINC001278451412 809134722 /nfs/dbraw/zinc/13/47/22/809134722.db2.gz HYIYOWKOMHSFIP-BBRMVZONSA-N 1 1 296.842 3.042 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)CC3(C)CC3)CCC[C@H]12 ZINC001278451412 809134724 /nfs/dbraw/zinc/13/47/24/809134724.db2.gz HYIYOWKOMHSFIP-BBRMVZONSA-N 1 1 296.842 3.042 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@H+](CCCC)[C@H]1C ZINC001278511986 809138814 /nfs/dbraw/zinc/13/88/14/809138814.db2.gz ZGDIHKNXTWJIHG-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C(CC=C)CC=C)[C@@H]1C ZINC001278511297 809139073 /nfs/dbraw/zinc/13/90/73/809139073.db2.gz SWYLBBDBCQDRRB-RDJZCZTQSA-N 1 1 290.451 3.300 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C(=C)C)[C@@H]1C ZINC001278516350 809139419 /nfs/dbraw/zinc/13/94/19/809139419.db2.gz RGABNJRPWZMNQZ-GJZGRUSLSA-N 1 1 278.440 3.134 20 30 CGEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)CCCCC(C)C)[C@H]1C ZINC001278526377 809140504 /nfs/dbraw/zinc/14/05/04/809140504.db2.gz IQZYIICGSHCRHK-SJORKVTESA-N 1 1 292.467 3.195 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001278679018 809152055 /nfs/dbraw/zinc/15/20/55/809152055.db2.gz YNVKPGOGOFLDIP-JFIYKMOQSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(C)C)C2 ZINC001278953454 809158237 /nfs/dbraw/zinc/15/82/37/809158237.db2.gz INIFQHQLRYWQHO-JYJNAYRXSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CC)CCCC ZINC001279539941 809173160 /nfs/dbraw/zinc/17/31/60/809173160.db2.gz DXZQAWNFQRJGKV-GVDBMIGSSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)C[C@H](CC)C(C)(C)C)CC1 ZINC001279669252 809176809 /nfs/dbraw/zinc/17/68/09/809176809.db2.gz WJYLFBIBQNZQTI-INIZCTEOSA-N 1 1 292.467 3.383 20 30 CGEDMO C#CCC[N@H+](C)CCCN(C)C(=O)C1(C)CCCCCC1 ZINC001280823684 809199766 /nfs/dbraw/zinc/19/97/66/809199766.db2.gz XJXCBKYNLMLSFV-UHFFFAOYSA-N 1 1 292.467 3.151 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)c1cc(C)c(C)s1 ZINC001280883713 809203273 /nfs/dbraw/zinc/20/32/73/809203273.db2.gz NVHLBOAHQRVHPQ-UHFFFAOYSA-N 1 1 294.464 3.335 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H](C=C)CC)C2 ZINC001281086475 809205826 /nfs/dbraw/zinc/20/58/26/809205826.db2.gz DALKNZKHXDIYFI-WMZOPIPTSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCC2CC2)C(C)(C)C1 ZINC001281543149 809213468 /nfs/dbraw/zinc/21/34/68/809213468.db2.gz YSUGWPULPYLIPC-AWEZNQCLSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCC2CC2)C(C)(C)C1 ZINC001281543149 809213475 /nfs/dbraw/zinc/21/34/75/809213475.db2.gz YSUGWPULPYLIPC-AWEZNQCLSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)CC2(C)CC2)C(C)(C)C1 ZINC001281554392 809215262 /nfs/dbraw/zinc/21/52/62/809215262.db2.gz BPGMHDXBJHQSPF-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)CC(C)C)C(C)(C)C1 ZINC001281572662 809215718 /nfs/dbraw/zinc/21/57/18/809215718.db2.gz ULSWNXUPLCMZOB-JKSUJKDBSA-N 1 1 294.483 3.461 20 30 CGEDMO C#CCCCCC(=O)N[C@H]1CC[N@@H+](CCCC=C)[C@@H](C)C1 ZINC001281660420 809216866 /nfs/dbraw/zinc/21/68/66/809216866.db2.gz XEYVTOCBPMRKOT-IRXDYDNUSA-N 1 1 290.451 3.115 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)CC(CC)CC)C[C@H]1C ZINC001281682961 809217848 /nfs/dbraw/zinc/21/78/48/809217848.db2.gz GJBYQXCJDJOAHG-GDBMZVCRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)CCCC2CC2)C[C@H]1C ZINC001281673573 809218150 /nfs/dbraw/zinc/21/81/50/809218150.db2.gz DSTGSRGAGAROBL-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@](C)(C=C)CC ZINC001281956695 809226382 /nfs/dbraw/zinc/22/63/82/809226382.db2.gz JNJODMDXCZRYHC-WMZOPIPTSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@H](C)CNC(=O)/C=C(/C)CC ZINC001282384388 809244433 /nfs/dbraw/zinc/24/44/33/809244433.db2.gz KMDRWKWAZJCMOJ-WJAHIIFUSA-N 1 1 266.429 3.134 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)c1cscc1C ZINC001282368042 809244901 /nfs/dbraw/zinc/24/49/01/809244901.db2.gz ULXRLORGMRDMLC-CYBMUJFWSA-N 1 1 280.437 3.073 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C1(C)CCCC1 ZINC001282432990 809246750 /nfs/dbraw/zinc/24/67/50/809246750.db2.gz KWKZUWFTPBCJSP-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)c1ccccc1CC ZINC001282451897 809248364 /nfs/dbraw/zinc/24/83/64/809248364.db2.gz UFDYIPKVLWESKR-OAHLLOKOSA-N 1 1 288.435 3.265 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)CC)C(C)(C)C1 ZINC001282801188 809263279 /nfs/dbraw/zinc/26/32/79/809263279.db2.gz SHTJWVKCKDYGEY-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC(=O)N1C[C@]2(C)C[N@H+](C[C@H](C)CC)C[C@]2(C)C1 ZINC001282983614 809267723 /nfs/dbraw/zinc/26/77/23/809267723.db2.gz YGJOYYIOXDVVBE-NXHRZFHOSA-N 1 1 292.467 3.169 20 30 CGEDMO C#CCCCCCC(=O)N1CCC([N@H+](C)CCCC)CC1 ZINC001283319759 809275804 /nfs/dbraw/zinc/27/58/04/809275804.db2.gz OKMQTVHMRGFRKO-UHFFFAOYSA-N 1 1 292.467 3.293 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C(=O)c1cc(C)co1)C(C)C ZINC001284544147 809307374 /nfs/dbraw/zinc/30/73/74/809307374.db2.gz DULXDHVECYIZLH-UHFFFAOYSA-N 1 1 292.423 3.337 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)[C@H]1CCCC1(C)C)C(C)C ZINC001284544948 809309372 /nfs/dbraw/zinc/30/93/72/809309372.db2.gz LPQAFPUICMUTCU-OAHLLOKOSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)c1ccc(C)c(C)c1)C(C)C ZINC001284557340 809309395 /nfs/dbraw/zinc/30/93/95/809309395.db2.gz CPEMSJLBGYNCOI-UHFFFAOYSA-N 1 1 288.435 3.272 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)[C@H]1C[C@@]1(C)C(C)C)C(C)C ZINC001284552964 809309868 /nfs/dbraw/zinc/30/98/68/809309868.db2.gz BLMWTAWXQWBKDM-AEFFLSMTSA-N 1 1 294.483 3.414 20 30 CGEDMO C[N@H+]1CCc2ccc(Nc3cc(F)cc(C#N)c3)cc2C1 ZINC001175688786 809504844 /nfs/dbraw/zinc/50/48/44/809504844.db2.gz DMIVOFJNLDEIHX-UHFFFAOYSA-N 1 1 281.334 3.429 20 30 CGEDMO Cc1cncc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)c1C ZINC001213523227 815297349 /nfs/dbraw/zinc/29/73/49/815297349.db2.gz NSCQUVRTOLMNGQ-UHFFFAOYSA-N 1 1 298.415 3.363 20 30 CGEDMO CC#CC[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1C1CC1 ZINC001176061985 809613032 /nfs/dbraw/zinc/61/30/32/809613032.db2.gz MIOVWXMQWRXIDD-SFHVURJKSA-N 1 1 285.387 3.036 20 30 CGEDMO C[N@H+]1CCc2ccc(Nc3ccc(F)c(C#N)c3)cc2C1 ZINC001176618826 809731952 /nfs/dbraw/zinc/73/19/52/809731952.db2.gz VSCLHZVBDFAHSN-UHFFFAOYSA-N 1 1 281.334 3.429 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001176771074 809759729 /nfs/dbraw/zinc/75/97/29/809759729.db2.gz FILYBHMGKOCETH-IAGOWNOFSA-N 1 1 270.376 3.022 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1C[C@H](O)Cc1ccccc1 ZINC001176771933 809759806 /nfs/dbraw/zinc/75/98/06/809759806.db2.gz YJVKFDOLGRHPRI-DLBZAZTESA-N 1 1 259.393 3.021 20 30 CGEDMO C=CC(C)(C)CCCNC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001177113709 809781587 /nfs/dbraw/zinc/78/15/87/809781587.db2.gz DIJCZYCRUQZFMP-ZNMIVQPWSA-N 1 1 280.456 3.356 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1c(C)[nH]c(C(=O)OCC)c1C ZINC001181315926 810047393 /nfs/dbraw/zinc/04/73/93/810047393.db2.gz SMHKNMOPDXMUDO-AWEZNQCLSA-N 1 1 290.407 3.349 20 30 CGEDMO C=CCC[C@H]([NH2+][C@@H]1CCC[C@H]1C(C)C)C(=O)OCC ZINC001181827417 810075201 /nfs/dbraw/zinc/07/52/01/810075201.db2.gz KZRBKBCSICGUSB-ZNMIVQPWSA-N 1 1 267.413 3.299 20 30 CGEDMO C=CCC[C@H]([NH2+]CC1(C)CCCC1)C(=O)OCC ZINC001181828816 810075275 /nfs/dbraw/zinc/07/52/75/810075275.db2.gz VHCUKHQUBRHZJX-ZDUSSCGKSA-N 1 1 253.386 3.054 20 30 CGEDMO C=CC[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC001182001090 810089289 /nfs/dbraw/zinc/08/92/89/810089289.db2.gz IPFVLTXCTVQHDI-IAGOWNOFSA-N 1 1 286.419 3.294 20 30 CGEDMO C=C(C)C[C@H]([NH2+]C[C@H]1C(C)=CCC[C@@H]1C)C(=O)OCC ZINC001183551354 810151785 /nfs/dbraw/zinc/15/17/85/810151785.db2.gz PWDYQVZDPVZPQF-JYJNAYRXSA-N 1 1 279.424 3.466 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C(CC)CC)[C@@H]2C1 ZINC001186893480 810371860 /nfs/dbraw/zinc/37/18/60/810371860.db2.gz TYBCEIFEDGTECI-BHYGNILZSA-N 1 1 292.467 3.310 20 30 CGEDMO C/C=C(\C)C(=O)N1CC[C@H]2C[N@H+](CCCCCCC)C[C@H]21 ZINC001187479773 810401116 /nfs/dbraw/zinc/40/11/16/810401116.db2.gz LIOPTSWUAZWSLU-KTHYOXIYSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[C@H]2C[N@H+](CCCC)C[C@H]21 ZINC001188033644 810444948 /nfs/dbraw/zinc/44/49/48/810444948.db2.gz LPMMLXJJWZVNFF-DLBZAZTESA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC001188599703 810491803 /nfs/dbraw/zinc/49/18/03/810491803.db2.gz GENOYTQKCFGTLY-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)CCC2CCCC2)C1 ZINC001188708778 810506373 /nfs/dbraw/zinc/50/63/73/810506373.db2.gz IKIPCUKIXSJTPD-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)c2ccsc2)C1 ZINC001188776314 810512937 /nfs/dbraw/zinc/51/29/37/810512937.db2.gz KDTHRXWLWVZODF-DZGCQCFKSA-N 1 1 292.448 3.249 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)c2occc2C)C1 ZINC001188863597 810520145 /nfs/dbraw/zinc/52/01/45/810520145.db2.gz UGIZRUJSAVDNMW-GJZGRUSLSA-N 1 1 290.407 3.089 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2C[N@H+](CCC(C)C)C[C@H]21 ZINC001188908469 810522376 /nfs/dbraw/zinc/52/23/76/810522376.db2.gz DXCPQHKXUZYJSD-YESZJQIVSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)CCCC)C1 ZINC001188935500 810524636 /nfs/dbraw/zinc/52/46/36/810524636.db2.gz TUXHDSDCDKLTQP-INIZCTEOSA-N 1 1 280.456 3.456 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001188999380 810532711 /nfs/dbraw/zinc/53/27/11/810532711.db2.gz MJPDIRKEFHQPSK-ZWKOTPCHSA-N 1 1 298.430 3.076 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CCC)C(C)C)[C@@H]2C1 ZINC001189293363 810555544 /nfs/dbraw/zinc/55/55/44/810555544.db2.gz QWKCOZCLGOGEBN-YESZJQIVSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]([N@@H+](C)Cc2csc(C)c2)C1 ZINC001189318876 810556673 /nfs/dbraw/zinc/55/66/73/810556673.db2.gz RNOCDQNSWDJKPI-HNNXBMFYSA-N 1 1 292.448 3.055 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)CCC2CC2)C1 ZINC001189450202 810571217 /nfs/dbraw/zinc/57/12/17/810571217.db2.gz PAPJRCLQOGLTBX-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)CCC)[C@@H]2C1 ZINC001189568522 810580171 /nfs/dbraw/zinc/58/01/71/810580171.db2.gz HEDRIZFARYEAFD-SOUVJXGZSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)CCC)[C@@H]2C1 ZINC001189568522 810580177 /nfs/dbraw/zinc/58/01/77/810580177.db2.gz HEDRIZFARYEAFD-SOUVJXGZSA-N 1 1 298.858 3.098 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[C@H]([N@@H+](C)C/C=C\Cl)C1 ZINC001190354653 810622344 /nfs/dbraw/zinc/62/23/44/810622344.db2.gz MPODQMPEPURPEA-MLBQELRYSA-N 1 1 296.842 3.040 20 30 CGEDMO Cc1ccc([C@@H](C)[N@@H+](C)Cc2cc(C#N)ccn2)cc1 ZINC001190366475 810623556 /nfs/dbraw/zinc/62/35/56/810623556.db2.gz RNUHEPXSQPRERP-CQSZACIVSA-N 1 1 265.360 3.455 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)CC(C)(C)C=C)C1 ZINC001190388580 810624906 /nfs/dbraw/zinc/62/49/06/810624906.db2.gz NJYLYKJXZCACOA-OAHLLOKOSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@@H]([N@@H+](C)CCC(=C)C)C1 ZINC001190396155 810625013 /nfs/dbraw/zinc/62/50/13/810625013.db2.gz CMKZVOGJUJSJOS-OAHLLOKOSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)c2sc(C)cc2C)C1 ZINC001190380112 810625677 /nfs/dbraw/zinc/62/56/77/810625677.db2.gz KBYCOPWLIRUMDQ-AWEZNQCLSA-N 1 1 292.448 3.087 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC001190582251 810635316 /nfs/dbraw/zinc/63/53/16/810635316.db2.gz UEZWJNBLYVOZKR-CQSZACIVSA-N 1 1 272.392 3.174 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)NCCCCCCCC ZINC001191076791 810671663 /nfs/dbraw/zinc/67/16/63/810671663.db2.gz LYJSTEWAFZVQSE-INIZCTEOSA-N 1 1 295.471 3.297 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)CC/C=C/CC)C1 ZINC001191683899 810730148 /nfs/dbraw/zinc/73/01/48/810730148.db2.gz MTMLJCNEMVQXAF-ROJDOSBLSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)CC=C(C)C)C1 ZINC001191684373 810730626 /nfs/dbraw/zinc/73/06/26/810730626.db2.gz QFGTXHKBLFHSAX-OAHLLOKOSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]([N@H+](C)C[C@@H](C)CC(C)C)C1 ZINC001191720808 810732722 /nfs/dbraw/zinc/73/27/22/810732722.db2.gz UYFAZGIWMMMIEP-HOTGVXAUSA-N 1 1 294.483 3.414 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]([N@H+](C)CC/C=C/CCC)C1 ZINC001191719124 810732787 /nfs/dbraw/zinc/73/27/87/810732787.db2.gz IGMMSGSLHILXDB-SCOAYWHSSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](F)CC)C1 ZINC001191755081 810737069 /nfs/dbraw/zinc/73/70/69/810737069.db2.gz UGDRQDGWTPUMLE-LSDHHAIUSA-N 1 1 284.419 3.014 20 30 CGEDMO C#CCCCCCC[N@H+](C)[C@H]1CCN(c2ccccc2)C1=O ZINC001191853626 810753124 /nfs/dbraw/zinc/75/31/24/810753124.db2.gz OOGLQRPSZPKWEO-SFHVURJKSA-N 1 1 298.430 3.307 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC[C@H]([N@@H+](C)CC2CCCC2)C1 ZINC001191889397 810753696 /nfs/dbraw/zinc/75/36/96/810753696.db2.gz GESZZKCDUCMGCL-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)C(CCC)CCC)C1 ZINC001192018365 810767263 /nfs/dbraw/zinc/76/72/63/810767263.db2.gz SRMREYXQHBOFKG-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]([N@H+](C)CCCC(C)C)C1 ZINC001192092571 810768333 /nfs/dbraw/zinc/76/83/33/810768333.db2.gz AAJKFKBFGWACEY-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@@H]([N@@H+](C)CCC(C)C)C1 ZINC001192160290 810771837 /nfs/dbraw/zinc/77/18/37/810771837.db2.gz CTGRGHWIMBDVCT-WBVHZDCISA-N 1 1 280.456 3.168 20 30 CGEDMO C=C1CCC(C(=O)N2CC[C@H]([N@H+](C)CC[C@H](C)F)C2)CC1 ZINC001192180913 810773797 /nfs/dbraw/zinc/77/37/97/810773797.db2.gz OKNLJAJESQKLHW-HOCLYGCPSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C2(CC)CC2)C1 ZINC001192189346 810774560 /nfs/dbraw/zinc/77/45/60/810774560.db2.gz DLBRLGNXSBZWMQ-HUUCEWRRSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)CC[C@@H](C)F)C2)CCC1 ZINC001192225739 810776844 /nfs/dbraw/zinc/77/68/44/810776844.db2.gz BJNCWTUTUMEQES-HUUCEWRRSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC[C@@H]([N@H+](C)CCCCCC)C2)C1 ZINC001192256667 810781334 /nfs/dbraw/zinc/78/13/34/810781334.db2.gz IYRQCYSRQBFCDB-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC[C@@H]([N@H+](C)CC/C=C\CC)C2)C1 ZINC001192257671 810781538 /nfs/dbraw/zinc/78/15/38/810781538.db2.gz PMGTYWFPMPAWIU-MWWKQMNYSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(C=C)cc2)C1 ZINC001192464372 810800764 /nfs/dbraw/zinc/80/07/64/810800764.db2.gz KIHDMTGPONOXJN-KRWDZBQOSA-N 1 1 284.403 3.052 20 30 CGEDMO C#CCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001192513824 810803627 /nfs/dbraw/zinc/80/36/27/810803627.db2.gz SFTXFKXUQZPGJZ-HZPDHXFCSA-N 1 1 292.467 3.005 20 30 CGEDMO CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)CCCCCC)C1 ZINC001192986468 810838894 /nfs/dbraw/zinc/83/88/94/810838894.db2.gz FNGGHNLQTMVEBT-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)CC[C@H](C)CC)C1 ZINC001193025822 810843607 /nfs/dbraw/zinc/84/36/07/810843607.db2.gz GTRZLLXONWJMGA-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)CC(C)C)C1 ZINC001193100053 810856862 /nfs/dbraw/zinc/85/68/62/810856862.db2.gz SGQYPYXHAUHASC-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)CC(C)C)C1 ZINC001193349920 810876045 /nfs/dbraw/zinc/87/60/45/810876045.db2.gz MDNHAAWEAATGPT-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO CC[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccncc1C#N ZINC001193459102 810891009 /nfs/dbraw/zinc/89/10/09/810891009.db2.gz APMDNXMXILITDE-BBRMVZONSA-N 1 1 257.381 3.354 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)CCCCCC)C1 ZINC001193855479 810968836 /nfs/dbraw/zinc/96/88/36/810968836.db2.gz NWBFSVHIYWPVNT-HNNXBMFYSA-N 1 1 266.429 3.066 20 30 CGEDMO C#CCN(Cc1ccccc1)C[C@@H]1CCCC[N@@H+]1C(C)C ZINC001194164738 811025460 /nfs/dbraw/zinc/02/54/60/811025460.db2.gz MTNRSWKOPPCOOJ-IBGZPJMESA-N 1 1 284.447 3.385 20 30 CGEDMO C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CCC)CC(C)C)C1 ZINC001194368690 811060820 /nfs/dbraw/zinc/06/08/20/811060820.db2.gz XLYBWOYCQPASCA-DLBZAZTESA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)CC2CCC2)CC1 ZINC001195418403 811252415 /nfs/dbraw/zinc/25/24/15/811252415.db2.gz DMFPVTTWZURIQX-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C#CCCCCC(=O)N1CCC[N@H+](CCCC(C)C)CC1 ZINC001195555370 811266229 /nfs/dbraw/zinc/26/62/29/811266229.db2.gz BBWQBXCBJNLGIH-UHFFFAOYSA-N 1 1 292.467 3.151 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)N1CC[N@@H+](C)[C@H](C(C)(C)C)C1 ZINC001195671060 811278195 /nfs/dbraw/zinc/27/81/95/811278195.db2.gz XDMYPIMUSZUWGI-YOEHRIQHSA-N 1 1 285.435 3.281 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCN(C)[C@H](C(C)(C)C)C1 ZINC001195671060 811278202 /nfs/dbraw/zinc/27/82/02/811278202.db2.gz XDMYPIMUSZUWGI-YOEHRIQHSA-N 1 1 285.435 3.281 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCN(C)[C@H](C(C)(C)C)C1 ZINC001195671060 811278210 /nfs/dbraw/zinc/27/82/10/811278210.db2.gz XDMYPIMUSZUWGI-YOEHRIQHSA-N 1 1 285.435 3.281 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C2CC(C)(C)C2)CC1 ZINC001195702744 811279602 /nfs/dbraw/zinc/27/96/02/811279602.db2.gz KGXHGECFXLFBOO-OAHLLOKOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)OCCC ZINC001196058340 811313461 /nfs/dbraw/zinc/31/34/61/811313461.db2.gz ZSIJRZKQKFHGFB-BFHYXJOUSA-N 1 1 253.386 3.053 20 30 CGEDMO C=CC[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC001196411191 811341990 /nfs/dbraw/zinc/34/19/90/811341990.db2.gz ZSCLWRACDAFYGX-CVEARBPZSA-N 1 1 279.424 3.396 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@H]2CCCC2(C)C)CC1 ZINC001196790939 811366929 /nfs/dbraw/zinc/36/69/29/811366929.db2.gz RFBXJKRQIBJNOF-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)C2(CCCC)CC2)CC1 ZINC001197077208 811397217 /nfs/dbraw/zinc/39/72/17/811397217.db2.gz QVNKKNOAPCGLAK-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2CC(C)C)CC1 ZINC001197195952 811404277 /nfs/dbraw/zinc/40/42/77/811404277.db2.gz OCTYWKJHXVZOAX-IAGOWNOFSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@H](C)C(C)C)CC1 ZINC001197316121 811415307 /nfs/dbraw/zinc/41/53/07/811415307.db2.gz QQROMGYMURBUDB-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)CN1CC[NH+]([C@@H](CC)c2ccc(F)cc2)CC1 ZINC001197522931 811425969 /nfs/dbraw/zinc/42/59/69/811425969.db2.gz CVDHHLZZENRYTB-KRWDZBQOSA-N 1 1 276.399 3.471 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)CC[C@H](C)CC)CC1 ZINC001197545513 811427975 /nfs/dbraw/zinc/42/79/75/811427975.db2.gz MCEFGTWTIJDPQQ-MRXNPFEDSA-N 1 1 280.456 3.313 20 30 CGEDMO CC#CC[N@H+]1CCCN(C(=O)C[C@H](CC)C(C)(C)C)CC1 ZINC001197802539 811453851 /nfs/dbraw/zinc/45/38/51/811453851.db2.gz RJPWOPLMEKDFDR-INIZCTEOSA-N 1 1 292.467 3.006 20 30 CGEDMO CC#CC[N@@H+]1CCCN(C(=O)C[C@H](CC)C(C)(C)C)CC1 ZINC001197802539 811453858 /nfs/dbraw/zinc/45/38/58/811453858.db2.gz RJPWOPLMEKDFDR-INIZCTEOSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1ccc(OC)c(OCCC)c1 ZINC001200702815 811736387 /nfs/dbraw/zinc/73/63/87/811736387.db2.gz HJIVSLWZWQLIJS-UHFFFAOYSA-N 1 1 269.772 3.326 20 30 CGEDMO C=CCN1CC[C@@]2(CCC[N@@H+](CC3CCCCC3)C2)C1=O ZINC001201390473 811824369 /nfs/dbraw/zinc/82/43/69/811824369.db2.gz VVPFLDQAFFWMFY-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO CC(C)(C)C[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001201447020 811851469 /nfs/dbraw/zinc/85/14/69/811851469.db2.gz LOJMQBPGISBARX-INIZCTEOSA-N 1 1 272.392 3.448 20 30 CGEDMO COc1ccc(C#N)cc1Nc1ccc2c(c1)C[N@H+](C)CC2 ZINC001201592212 811917238 /nfs/dbraw/zinc/91/72/38/811917238.db2.gz WFAUSUIUFZJRBG-UHFFFAOYSA-N 1 1 293.370 3.298 20 30 CGEDMO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1CCCCCC ZINC001201755014 811961122 /nfs/dbraw/zinc/96/11/22/811961122.db2.gz RPCPITTVDSDEHF-MRXNPFEDSA-N 1 1 291.439 3.102 20 30 CGEDMO CCCCCCC[N@@H+]1C[C@H](C(=O)OC)C[C@H](C)C1 ZINC001201787754 811964624 /nfs/dbraw/zinc/96/46/24/811964624.db2.gz KRJQEILQXJOYRQ-UONOGXRCSA-N 1 1 255.402 3.088 20 30 CGEDMO CCCCCCCC[N@@H+]1Cc2cn(C)nc2[C@@H](COC)C1 ZINC001201813026 811966564 /nfs/dbraw/zinc/96/65/64/811966564.db2.gz AKDZVJBNNLTCMQ-MRXNPFEDSA-N 1 1 293.455 3.326 20 30 CGEDMO CCCCCCCCC[N@H+]1Cc2ccnn2CC[C@H]1CO ZINC001201852981 811972886 /nfs/dbraw/zinc/97/28/86/811972886.db2.gz VULFWQNUECVTCJ-KRWDZBQOSA-N 1 1 293.455 3.200 20 30 CGEDMO C=CCOCc1ncn2c1C[N@@H+](CCC(C)(C)C)CCC2 ZINC001202065100 812009025 /nfs/dbraw/zinc/00/90/25/812009025.db2.gz IUSSHVAPGKOKCF-UHFFFAOYSA-N 1 1 291.439 3.228 20 30 CGEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+](CCC(C)(C)C)C2 ZINC001202065276 812009144 /nfs/dbraw/zinc/00/91/44/812009144.db2.gz JXQFCQLYHKLEGA-GOSISDBHSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCOC[C@]12CCCO[C@H]1CC[N@@H+](CC1CCCC1)C2 ZINC001202159999 812027294 /nfs/dbraw/zinc/02/72/94/812027294.db2.gz GBWRYEVCTXCYGJ-ZWKOTPCHSA-N 1 1 293.451 3.250 20 30 CGEDMO N#Cc1cccc(O[C@@H]2CCC[N@H+](CCC(F)(F)F)C2)c1 ZINC001202352157 812070391 /nfs/dbraw/zinc/07/03/91/812070391.db2.gz BEEVHWDBXIXWKO-CQSZACIVSA-N 1 1 298.308 3.354 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccccc2Br)C1 ZINC001203329066 812314240 /nfs/dbraw/zinc/31/42/40/812314240.db2.gz UNKGTAXFTKVYJQ-GFCCVEGCSA-N 1 1 278.193 3.294 20 30 CGEDMO N#Cc1cccc(N2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC001203914958 812489904 /nfs/dbraw/zinc/48/99/04/812489904.db2.gz FSVGDDIZLWHZQU-UHFFFAOYSA-N 1 1 295.361 3.020 20 30 CGEDMO C=CCN1CC[NH+](Cc2ccc(OCCCC)cc2)CC1 ZINC001203970860 812505966 /nfs/dbraw/zinc/50/59/66/812505966.db2.gz UEKRWLAUJCCPPY-UHFFFAOYSA-N 1 1 288.435 3.169 20 30 CGEDMO Cn1c2ccccc2[nH+]c1Nc1ccc(C#N)c(F)c1 ZINC001204028993 812525092 /nfs/dbraw/zinc/52/50/92/812525092.db2.gz SMXHSAPPIONGOI-UHFFFAOYSA-N 1 1 266.279 3.328 20 30 CGEDMO C#Cc1ccc(CNc2[nH+]c3ccc(F)cc3n2C)cc1 ZINC001204079827 812544258 /nfs/dbraw/zinc/54/42/58/812544258.db2.gz QMRHWKYPRNYUTG-UHFFFAOYSA-N 1 1 279.318 3.306 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)cc1 ZINC001204297657 812603669 /nfs/dbraw/zinc/60/36/69/812603669.db2.gz MMOWIAIKEKCEGC-FUHWJXTLSA-N 1 1 287.403 3.252 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@H](CC#N)C2)c2ccccc21 ZINC001204325962 812614932 /nfs/dbraw/zinc/61/49/32/812614932.db2.gz RTRAAKSDAJHTDX-CQSZACIVSA-N 1 1 267.376 3.304 20 30 CGEDMO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2csc(C#N)c2)C1(C)C ZINC001204359810 812620502 /nfs/dbraw/zinc/62/05/02/812620502.db2.gz RJIZUIPUZXPCHH-DZGCQCFKSA-N 1 1 278.421 3.255 20 30 CGEDMO CNc1ccccc1C[N@H+](CCC#N)CC(C)(C)C ZINC001204495896 812656020 /nfs/dbraw/zinc/65/60/20/812656020.db2.gz BTCBRCOZUGHBPZ-UHFFFAOYSA-N 1 1 259.397 3.490 20 30 CGEDMO CNc1ccccc1C[N@@H+](CCC#N)CC(C)(C)C ZINC001204495896 812656023 /nfs/dbraw/zinc/65/60/23/812656023.db2.gz BTCBRCOZUGHBPZ-UHFFFAOYSA-N 1 1 259.397 3.490 20 30 CGEDMO Cc1cc(C)cc(CC[N@@H+](CCC#N)CC2CC2)c1 ZINC001204497485 812657136 /nfs/dbraw/zinc/65/71/36/812657136.db2.gz PSBPVJFLMSZLTD-UHFFFAOYSA-N 1 1 256.393 3.472 20 30 CGEDMO Cc1cc(C[N@@H+]2CCc3cc(C#N)ccc3C2)oc1C ZINC001204535996 812671889 /nfs/dbraw/zinc/67/18/89/812671889.db2.gz BWJDPJORIZWSTL-UHFFFAOYSA-N 1 1 266.344 3.326 20 30 CGEDMO Cc1cc(C[N@H+]2CCc3cc(C#N)ccc3C2)oc1C ZINC001204535996 812671892 /nfs/dbraw/zinc/67/18/92/812671892.db2.gz BWJDPJORIZWSTL-UHFFFAOYSA-N 1 1 266.344 3.326 20 30 CGEDMO CCC[N@H+](Cc1cc(C#N)ccc1N(C)C)CC(C)C ZINC001204803567 812741420 /nfs/dbraw/zinc/74/14/20/812741420.db2.gz NFASMDHZDFPHMZ-UHFFFAOYSA-N 1 1 273.424 3.492 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1cccc(OC(F)F)c1 ZINC001204836605 812750539 /nfs/dbraw/zinc/75/05/39/812750539.db2.gz SNVDNXNLLWMNMM-UHFFFAOYSA-N 1 1 268.307 3.414 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1cccc(OC(F)F)c1 ZINC001204836605 812750542 /nfs/dbraw/zinc/75/05/42/812750542.db2.gz SNVDNXNLLWMNMM-UHFFFAOYSA-N 1 1 268.307 3.414 20 30 CGEDMO C=CC[NH+](CC=C)Cc1ccc(C(F)(F)F)nc1 ZINC001205442540 812983750 /nfs/dbraw/zinc/98/37/50/812983750.db2.gz WTBQHIJOUUFMPM-UHFFFAOYSA-N 1 1 256.271 3.274 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC001205568863 813006135 /nfs/dbraw/zinc/00/61/35/813006135.db2.gz OFQAXUXLNWQZDB-AWEZNQCLSA-N 1 1 281.403 3.251 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC001205568863 813006143 /nfs/dbraw/zinc/00/61/43/813006143.db2.gz OFQAXUXLNWQZDB-AWEZNQCLSA-N 1 1 281.403 3.251 20 30 CGEDMO C[C@@H]1CCN(Cc2ccc(Cl)cc2C#N)CC[C@H]1C[NH3+] ZINC001205638985 813038448 /nfs/dbraw/zinc/03/84/48/813038448.db2.gz UGSGTQXHZPBTIO-OLZOCXBDSA-N 1 1 291.826 3.018 20 30 CGEDMO Cc1oc(Nc2c[nH+]c(N(C)C)cc2C)c(C#N)c1C ZINC001206724107 813408012 /nfs/dbraw/zinc/40/80/12/813408012.db2.gz YBOXKVXXHCIQTL-UHFFFAOYSA-N 1 1 270.336 3.281 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1Nc1onc(C(C)(C)C)c1C#N ZINC001206722821 813408266 /nfs/dbraw/zinc/40/82/66/813408266.db2.gz KQKWSJZPXSAGQB-UHFFFAOYSA-N 1 1 299.378 3.357 20 30 CGEDMO C=C(C)CO[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001206744435 813416800 /nfs/dbraw/zinc/41/68/00/813416800.db2.gz UBLGHXYVLUUMFP-WBVHZDCISA-N 1 1 259.393 3.490 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1Nc1cc(F)c(C#N)c(F)c1 ZINC001206754774 813423272 /nfs/dbraw/zinc/42/32/72/813423272.db2.gz MBPKARMALGOGFD-UHFFFAOYSA-N 1 1 288.301 3.350 20 30 CGEDMO C=C(C)COc1ccccc1CN1C[C@@H](C[NH3+])CC[C@H]1C ZINC001206768729 813429875 /nfs/dbraw/zinc/42/98/75/813429875.db2.gz LVGAXQRGZJMZAT-HZPDHXFCSA-N 1 1 288.435 3.201 20 30 CGEDMO C#CCCCCC(=O)N[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C ZINC001206885138 813457482 /nfs/dbraw/zinc/45/74/82/813457482.db2.gz WTMTVVHUYIWRAL-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2(C)CCCC2)C1 ZINC001206931241 813457992 /nfs/dbraw/zinc/45/79/92/813457992.db2.gz AWHRVVNLVUCVMF-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO CC[N@H+](Cc1cc(C#N)n(C)c1)Cc1cccc(F)c1F ZINC001207110680 813487302 /nfs/dbraw/zinc/48/73/02/813487302.db2.gz RDQVMBOKYDPKSB-UHFFFAOYSA-N 1 1 289.329 3.197 20 30 CGEDMO CC[N@@H+](Cc1cc(C#N)n(C)c1)Cc1cccc(F)c1F ZINC001207110680 813487309 /nfs/dbraw/zinc/48/73/09/813487309.db2.gz RDQVMBOKYDPKSB-UHFFFAOYSA-N 1 1 289.329 3.197 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(CSC)cc1)C1CSC1 ZINC001207217745 813516831 /nfs/dbraw/zinc/51/68/31/813516831.db2.gz BNOZPJFPBYROJH-UHFFFAOYSA-N 1 1 277.458 3.100 20 30 CGEDMO C#CC[N@H+](Cc1ccc(CSC)cc1)C1CSC1 ZINC001207217745 813516835 /nfs/dbraw/zinc/51/68/35/813516835.db2.gz BNOZPJFPBYROJH-UHFFFAOYSA-N 1 1 277.458 3.100 20 30 CGEDMO C#CC[N@H+](C[C@H](C)c1cc(F)cc(F)c1)C1CSC1 ZINC001207218373 813517095 /nfs/dbraw/zinc/51/70/95/813517095.db2.gz JYLRUCVBSBZIPH-NSHDSACASA-N 1 1 281.371 3.119 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](CCc2ccc(Br)cc2)C1 ZINC001207385998 813556995 /nfs/dbraw/zinc/55/69/95/813556995.db2.gz PWXFHSRLKQLRHT-CYBMUJFWSA-N 1 1 292.220 3.337 20 30 CGEDMO CC(C)(O)CCCC1=CC[C@H](C[N@H+]2CC[C@H](C#N)C2)CC1 ZINC001207413866 813558519 /nfs/dbraw/zinc/55/85/19/813558519.db2.gz STQKMFXGKGDTEM-DLBZAZTESA-N 1 1 290.451 3.500 20 30 CGEDMO C[C@H](CCCC(C)(C)O)CC[N@H+]1CC[C@](C)(C#N)C1 ZINC001207683203 813635765 /nfs/dbraw/zinc/63/57/65/813635765.db2.gz NLFWXMFKZMYRGR-GDBMZVCRSA-N 1 1 266.429 3.189 20 30 CGEDMO CC#CC[N@H+](C)Cc1c(C)cc(C)c(COC)c1C ZINC001207716390 813640388 /nfs/dbraw/zinc/64/03/88/813640388.db2.gz YSSDRUVJNJIHCX-UHFFFAOYSA-N 1 1 259.393 3.213 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1cc(C)cc(OC)c1O ZINC001207735976 813641216 /nfs/dbraw/zinc/64/12/16/813641216.db2.gz WUZPUKWPANLPOR-UHFFFAOYSA-N 1 1 263.381 3.497 20 30 CGEDMO C=CCCCCCCCCC[N@H+](CC)CCC(N)=O ZINC001207898885 813667408 /nfs/dbraw/zinc/66/74/08/813667408.db2.gz GUEWKQNGTLHVAI-UHFFFAOYSA-N 1 1 268.445 3.491 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCC(F)(F)[C@H](CO)C2)CC1 ZINC001208171495 813725865 /nfs/dbraw/zinc/72/58/65/813725865.db2.gz VAMVGUORIFCMMC-CABCVRRESA-N 1 1 285.378 3.239 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@H]3OCC[C@H]3C2)CC1 ZINC001208178573 813728318 /nfs/dbraw/zinc/72/83/18/813728318.db2.gz RTYDBKINXYASKP-IKGGRYGDSA-N 1 1 261.409 3.400 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCc3cnn(C)c3C2)CC1 ZINC001208179009 813730567 /nfs/dbraw/zinc/73/05/67/813730567.db2.gz ZIWZXYFZQSDIJU-OAHLLOKOSA-N 1 1 271.408 3.081 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC/C=C/CC)C[C@H]1C ZINC001208388656 813757760 /nfs/dbraw/zinc/75/77/60/813757760.db2.gz NWUGSBJUBDXVJM-RMGSUIBPSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1C[N@@H+](CC/C=C\CC)C[C@H]1C ZINC001208452614 813762390 /nfs/dbraw/zinc/76/23/90/813762390.db2.gz URFUUSKBDZEIQH-AJKQWTFCSA-N 1 1 278.440 3.136 20 30 CGEDMO CN1CCC[C@@H](C[NH+]2CCC(C#Cc3ccccc3)CC2)C1 ZINC001208618020 813776561 /nfs/dbraw/zinc/77/65/61/813776561.db2.gz QFTPBEXEDMQUMB-HXUWFJFHSA-N 1 1 296.458 3.092 20 30 CGEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](CC/C=C\CC)C2 ZINC001208727887 813817303 /nfs/dbraw/zinc/81/73/03/813817303.db2.gz UKTAOPKUGKRZKZ-OSFIAYCASA-N 1 1 293.451 3.416 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001208738902 813829081 /nfs/dbraw/zinc/82/90/81/813829081.db2.gz LGIHFMPPIADPCU-QBPKDAKJSA-N 1 1 294.483 3.439 20 30 CGEDMO C=CCCCC[N@H+](C)C[C@H](CC)CCC(=O)OC ZINC001208785506 813847196 /nfs/dbraw/zinc/84/71/96/813847196.db2.gz GMGPJRRNOANQNZ-CQSZACIVSA-N 1 1 255.402 3.254 20 30 CGEDMO N#Cc1cccc(CCC[N@@H+]2CCC[C@H](F)CC2)c1 ZINC001208845742 813863166 /nfs/dbraw/zinc/86/31/66/813863166.db2.gz RZOAHCMQRXKDGV-INIZCTEOSA-N 1 1 260.356 3.315 20 30 CGEDMO N#Cc1cccc(CCC[N@@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)c1 ZINC001208846102 813863902 /nfs/dbraw/zinc/86/39/02/813863902.db2.gz WXAZMEDRNDIIRB-QZTJIDSGSA-N 1 1 296.414 3.324 20 30 CGEDMO N#Cc1cccc(CCC[N@@H+]2CCc3c(O)cccc3C2)c1 ZINC001208843938 813865155 /nfs/dbraw/zinc/86/51/55/813865155.db2.gz BWCDYFDZWFWAQV-UHFFFAOYSA-N 1 1 292.382 3.255 20 30 CGEDMO N#Cc1cccc(CCC[N@H+]2CC3CCC2CC3)c1 ZINC001208853482 813867376 /nfs/dbraw/zinc/86/73/76/813867376.db2.gz NMFJPIWTJZVDJA-UHFFFAOYSA-N 1 1 254.377 3.365 20 30 CGEDMO CCC[N@@H+](CCCc1cccc(C#N)c1)C1CCOCC1 ZINC001208854176 813867674 /nfs/dbraw/zinc/86/76/74/813867674.db2.gz KPFGAJQRENOBPB-UHFFFAOYSA-N 1 1 286.419 3.382 20 30 CGEDMO C[C@H]1C[C@@H](CF)[N@@H+](CCCc2ccc(C#N)cc2)C1 ZINC001208856054 813870265 /nfs/dbraw/zinc/87/02/65/813870265.db2.gz JRKFWOIJWYQXRM-BBRMVZONSA-N 1 1 260.356 3.171 20 30 CGEDMO CN1CC[N@@H+](CCCc2ccc(C#N)cc2)C2(CCCC2)C1 ZINC001208863352 813872127 /nfs/dbraw/zinc/87/21/27/813872127.db2.gz ASVCCTGUKUHYQL-UHFFFAOYSA-N 1 1 297.446 3.051 20 30 CGEDMO C[N@@H+]1CCN(CCCc2ccc(C#N)cc2)C2(CCCC2)C1 ZINC001208863352 813872137 /nfs/dbraw/zinc/87/21/37/813872137.db2.gz ASVCCTGUKUHYQL-UHFFFAOYSA-N 1 1 297.446 3.051 20 30 CGEDMO C[N@H+]1CCN(CCCc2ccc(C#N)cc2)C2(CCCC2)C1 ZINC001208863352 813872147 /nfs/dbraw/zinc/87/21/47/813872147.db2.gz ASVCCTGUKUHYQL-UHFFFAOYSA-N 1 1 297.446 3.051 20 30 CGEDMO N#Cc1ccc(CCC[N@H+]2CC[C@@H](COCC3CC3)C2)cc1 ZINC001208861762 813872299 /nfs/dbraw/zinc/87/22/99/813872299.db2.gz ARBYOZKPEDYMAK-LJQANCHMSA-N 1 1 298.430 3.239 20 30 CGEDMO N#Cc1ccccc1O[C@H]1CCC[N@@H+](C[C@H]2CCC=CO2)C1 ZINC001208880851 813879258 /nfs/dbraw/zinc/87/92/58/813879258.db2.gz PSYPQIVYVNFQDO-SJORKVTESA-N 1 1 298.386 3.094 20 30 CGEDMO CC1(C[N@H+]2CCC3SC(=O)C=C3C2)CCCCC1 ZINC001208896597 813886728 /nfs/dbraw/zinc/88/67/28/813886728.db2.gz NAXWBYTXALYJDF-ZDUSSCGKSA-N 1 1 265.422 3.231 20 30 CGEDMO C[N@@H+](CCc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC001208926350 813901075 /nfs/dbraw/zinc/90/10/75/813901075.db2.gz GAJTVLAIENOVQU-UHFFFAOYSA-N 1 1 275.355 3.104 20 30 CGEDMO Cc1cc(C#N)c(NC2=CC[N@@H+](C)CC2)cc1Cl ZINC001208980331 813912671 /nfs/dbraw/zinc/91/26/71/813912671.db2.gz SNMDETQIJMGEOB-UHFFFAOYSA-N 1 1 261.756 3.151 20 30 CGEDMO C=CC[N@H+](CCOC(=O)c1ccccc1)C(C)(C)C ZINC001209049084 813922003 /nfs/dbraw/zinc/92/20/03/813922003.db2.gz VRULIDJZCNSRKA-UHFFFAOYSA-N 1 1 261.365 3.130 20 30 CGEDMO N#C[C@@H]1CC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC001209118195 813940299 /nfs/dbraw/zinc/94/02/99/813940299.db2.gz RQTXQNBCRWUOOL-LBPRGKRZSA-N 1 1 268.282 3.093 20 30 CGEDMO N#C[C@@H]1CC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC001209118195 813940305 /nfs/dbraw/zinc/94/03/05/813940305.db2.gz RQTXQNBCRWUOOL-LBPRGKRZSA-N 1 1 268.282 3.093 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]1C ZINC001209160234 813951738 /nfs/dbraw/zinc/95/17/38/813951738.db2.gz KXEVKMZKPIAIPQ-KGLIPLIRSA-N 1 1 282.428 3.330 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]2[C@@H]1CN2C(=O)OC(C)(C)C ZINC001209158402 813951996 /nfs/dbraw/zinc/95/19/96/813951996.db2.gz NGWUVEMNTFAKHX-KGLIPLIRSA-N 1 1 280.412 3.036 20 30 CGEDMO C=CCCCC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@H]21 ZINC001209200012 813962481 /nfs/dbraw/zinc/96/24/81/813962481.db2.gz FFTMZRHUBGATOG-KGLIPLIRSA-N 1 1 280.412 3.036 20 30 CGEDMO C=CCCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@H]21 ZINC001209200012 813962490 /nfs/dbraw/zinc/96/24/90/813962490.db2.gz FFTMZRHUBGATOG-KGLIPLIRSA-N 1 1 280.412 3.036 20 30 CGEDMO C=CCCCC[N@H+]1CC[C@@H]1N(C)C(=O)OC(C)(C)C ZINC001209207311 813968090 /nfs/dbraw/zinc/96/80/90/813968090.db2.gz SBJXPECCZNUUKF-CYBMUJFWSA-N 1 1 268.401 3.241 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@@H]1N(C)C(=O)OC(C)(C)C ZINC001209207311 813968093 /nfs/dbraw/zinc/96/80/93/813968093.db2.gz SBJXPECCZNUUKF-CYBMUJFWSA-N 1 1 268.401 3.241 20 30 CGEDMO C=CCCCC[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC001209207335 813968430 /nfs/dbraw/zinc/96/84/30/813968430.db2.gz UBOOYBLRICGRFU-KRWDZBQOSA-N 1 1 259.393 3.286 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@@H](Oc2cccc(C)n2)C1 ZINC001209208236 813968671 /nfs/dbraw/zinc/96/86/71/813968671.db2.gz OCKRKUVQVUHQHW-OAHLLOKOSA-N 1 1 260.381 3.199 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](CCCCOCc2ccccc2)C1 ZINC001209264762 813987214 /nfs/dbraw/zinc/98/72/14/813987214.db2.gz ZMOFJVYJNOEHJV-QGZVFWFLSA-N 1 1 272.392 3.219 20 30 CGEDMO C#CCCC[N@H+]1CCc2ncnc(-c3ccsc3)c2CC1 ZINC001209264204 813987277 /nfs/dbraw/zinc/98/72/77/813987277.db2.gz XILFOMXOPCIIGX-UHFFFAOYSA-N 1 1 297.427 3.019 20 30 CGEDMO C#CCCC[N@@H+]1CCSC[C@@H]1c1ccc(F)cc1 ZINC001209265973 813988230 /nfs/dbraw/zinc/98/82/30/813988230.db2.gz DOPIXSIGZIMPDU-OAHLLOKOSA-N 1 1 263.381 3.329 20 30 CGEDMO C=C(C)C[N@H+](CC)CCCCCCC(=O)OCC ZINC001209350654 814003939 /nfs/dbraw/zinc/00/39/39/814003939.db2.gz JKDLPKOLELXFLO-UHFFFAOYSA-N 1 1 255.402 3.398 20 30 CGEDMO C[C@@H]1C[C@@H](C[N@H+]2CCc3cc(C#N)ccc3C2)C[C@H](C)O1 ZINC001209384602 814008691 /nfs/dbraw/zinc/00/86/91/814008691.db2.gz NVNRKZIUZBXODP-MIFYACCESA-N 1 1 284.403 3.120 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCN(c2ccc(F)cn2)CC1 ZINC001209423290 814025906 /nfs/dbraw/zinc/02/59/06/814025906.db2.gz LYUHMDBQNCEGAC-UHFFFAOYSA-N 1 1 291.414 3.479 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@H](Oc2cnccn2)C1 ZINC001209433459 814034694 /nfs/dbraw/zinc/03/46/94/814034694.db2.gz XKYISLVMSDTZJC-HNNXBMFYSA-N 1 1 275.396 3.066 20 30 CGEDMO C=CCCCCC[N@H+]1CCCN(c2cccnc2)CC1 ZINC001209433484 814034938 /nfs/dbraw/zinc/03/49/38/814034938.db2.gz YVHGXJILLISXIX-UHFFFAOYSA-N 1 1 273.424 3.340 20 30 CGEDMO C=CCCCCCC[N@@H+]1CC[C@H](N(C)C2CC2)C1 ZINC001209440177 814038637 /nfs/dbraw/zinc/03/86/37/814038637.db2.gz DHISSZUNYYETMO-INIZCTEOSA-N 1 1 250.430 3.291 20 30 CGEDMO C=CCCCCCCN1CC[C@H]([N@H+](C)C2CC2)C1 ZINC001209440177 814038640 /nfs/dbraw/zinc/03/86/40/814038640.db2.gz DHISSZUNYYETMO-INIZCTEOSA-N 1 1 250.430 3.291 20 30 CGEDMO C=CCCCCCCN1CC[C@H]([N@@H+](C)C2CC2)C1 ZINC001209440177 814038643 /nfs/dbraw/zinc/03/86/43/814038643.db2.gz DHISSZUNYYETMO-INIZCTEOSA-N 1 1 250.430 3.291 20 30 CGEDMO C=CCCCCCC[N@H+](C(C)C)[C@H]1CCN(C(C)=O)C1 ZINC001209441494 814041216 /nfs/dbraw/zinc/04/12/16/814041216.db2.gz XMCVYERFLGUGKZ-KRWDZBQOSA-N 1 1 280.456 3.454 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CC[C@](F)(C(=O)OC)C1 ZINC001209443613 814043120 /nfs/dbraw/zinc/04/31/20/814043120.db2.gz XBAGWAGPFUGVNW-MRXNPFEDSA-N 1 1 285.403 3.490 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2csc(C)c2)C1 ZINC001209467140 814051023 /nfs/dbraw/zinc/05/10/23/814051023.db2.gz MEAKBLWDXAPUEC-IUODEOHRSA-N 1 1 292.448 3.073 20 30 CGEDMO Cn1nc2ccccc2c1C[N@H+](CCC#N)C1CCCC1 ZINC001209536312 814076835 /nfs/dbraw/zinc/07/68/35/814076835.db2.gz LUPFMZHFAQSPCF-UHFFFAOYSA-N 1 1 282.391 3.232 20 30 CGEDMO Cn1nc2ccccc2c1C[N@@H+](CCC#N)C1CCCC1 ZINC001209536312 814076840 /nfs/dbraw/zinc/07/68/40/814076840.db2.gz LUPFMZHFAQSPCF-UHFFFAOYSA-N 1 1 282.391 3.232 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@H](Oc3ccccc3C#N)C2)[nH]1 ZINC001209579158 814091363 /nfs/dbraw/zinc/09/13/63/814091363.db2.gz RYKAPWALZMUDQK-KRWDZBQOSA-N 1 1 295.386 3.238 20 30 CGEDMO C#CC1CC[NH+](Cc2[nH]nc3ccc(Cl)cc32)CC1 ZINC001209759032 814130241 /nfs/dbraw/zinc/13/02/41/814130241.db2.gz LRAISFSXTDYFAI-UHFFFAOYSA-N 1 1 273.767 3.062 20 30 CGEDMO C#CC1CC[NH+](Cc2n[nH]c3ccc(Cl)cc32)CC1 ZINC001209759032 814130255 /nfs/dbraw/zinc/13/02/55/814130255.db2.gz LRAISFSXTDYFAI-UHFFFAOYSA-N 1 1 273.767 3.062 20 30 CGEDMO N#Cc1c(F)ccc(F)c1Nc1ccc2[nH]c[nH+]c2c1 ZINC001209851269 814170728 /nfs/dbraw/zinc/17/07/28/814170728.db2.gz QSYSUYTYUQSKNR-UHFFFAOYSA-N 1 1 270.242 3.456 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(CC)CCCC2)C1 ZINC001209920967 814200467 /nfs/dbraw/zinc/20/04/67/814200467.db2.gz RQZRRPFMKBYPFS-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO N#Cc1cccc(N)c1Nc1ccc2c[nH+]ccc2c1 ZINC001210051426 814265467 /nfs/dbraw/zinc/26/54/67/814265467.db2.gz IFHGOZJPTNNZJJ-UHFFFAOYSA-N 1 1 260.300 3.432 20 30 CGEDMO C[C@H]1CC(=O)C=C(c2cc(N)c(C(F)(F)F)c[nH+]2)C1 ZINC001242737310 823116472 /nfs/dbraw/zinc/11/64/72/823116472.db2.gz ODXPBSBHQMGJQY-SSDOTTSWSA-N 1 1 270.254 3.065 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001210447884 814461047 /nfs/dbraw/zinc/46/10/47/814461047.db2.gz OOIFPYXUOJVXIG-QBPKDAKJSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C)cc2)C1 ZINC001210566695 814531309 /nfs/dbraw/zinc/53/13/09/814531309.db2.gz FXTRVMPYCOVJCP-NVXWUHKLSA-N 1 1 286.419 3.011 20 30 CGEDMO Cc1cnc(NC2=CC[C@@H]([NH+]3CCCC3)CC2)c(C#N)c1 ZINC001210706407 814591233 /nfs/dbraw/zinc/59/12/33/814591233.db2.gz LZJZYQHNPXIMAS-MRXNPFEDSA-N 1 1 282.391 3.206 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC2CCCCC2)C1 ZINC001210801504 814634220 /nfs/dbraw/zinc/63/42/20/814634220.db2.gz OWESGECLWDUGNZ-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)[C@@H]1CC[C@H](C)C[C@H]1OCCCC[C@@H]([NH3+])C(=O)OC ZINC001217898777 815996234 /nfs/dbraw/zinc/99/62/34/815996234.db2.gz XSUFJNUKYIKNHC-CAOSSQGBSA-N 1 1 297.439 3.055 20 30 CGEDMO C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1OCCCC[C@H]([NH3+])C(=O)OC ZINC001217898787 815996476 /nfs/dbraw/zinc/99/64/76/815996476.db2.gz XSUFJNUKYIKNHC-VGWMRTNUSA-N 1 1 297.439 3.055 20 30 CGEDMO C=C[C@H](CCCCCCC)Oc1ncnc2c1C[NH2+]C2 ZINC001218334966 816171281 /nfs/dbraw/zinc/17/12/81/816171281.db2.gz IBHRIUKLMXMURC-CYBMUJFWSA-N 1 1 275.396 3.374 20 30 CGEDMO C#C[C@](C)([NH3+])C(=O)Nc1ccc(C2CC2)c2ccccc12 ZINC001219094709 816264830 /nfs/dbraw/zinc/26/48/30/816264830.db2.gz UXAPNJPUWKIAMJ-SFHVURJKSA-N 1 1 278.355 3.006 20 30 CGEDMO C=CCC(CC=C)C(=O)N1C[C@H]2CC[N@H+](CCCC)C[C@H]21 ZINC001221574485 816320465 /nfs/dbraw/zinc/32/04/65/816320465.db2.gz AHHBUUURDGYMLC-IAGOWNOFSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@](C)(C=C)CC)[C@@H]2C1 ZINC001221790388 816327811 /nfs/dbraw/zinc/32/78/11/816327811.db2.gz MWRWVJGQWOXLGZ-NUJGCVRESA-N 1 1 290.451 3.088 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)CCCCC)[C@@H]2C1 ZINC001222035657 816339422 /nfs/dbraw/zinc/33/94/22/816339422.db2.gz JVXRTFKUWFCVJM-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCn1cc(-c2ccc3c(c2)CC[N@H+](CC)C3)cn1 ZINC001222386617 816427381 /nfs/dbraw/zinc/42/73/81/816427381.db2.gz LAGYJIRTMNTCKN-UHFFFAOYSA-N 1 1 267.376 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H](C)CCC)C[C@@H]21 ZINC001222407572 816436076 /nfs/dbraw/zinc/43/60/76/816436076.db2.gz XXKCSMAYSJUETJ-BBWFWOEESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]2CC[N@H+](CCCCCC)[C@H]2C1 ZINC001222432452 816443768 /nfs/dbraw/zinc/44/37/68/816443768.db2.gz OZVWFFUWCNJMKZ-SJORKVTESA-N 1 1 292.467 3.456 20 30 CGEDMO Cc1[nH+]ccn1-c1cncc(-c2c(C)cc(C#N)cc2C)n1 ZINC001222642661 816489315 /nfs/dbraw/zinc/48/93/15/816489315.db2.gz LUAPUUKADZSETD-UHFFFAOYSA-N 1 1 289.342 3.126 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]2CC[N@H+](C[C@@H](C)CC)[C@H]2C1 ZINC001223401577 816623142 /nfs/dbraw/zinc/62/31/42/816623142.db2.gz NLDCVHFEESORCT-BBWFWOEESA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)CCC3(C)CC3)C[C@@H]21 ZINC001223822795 816690350 /nfs/dbraw/zinc/69/03/50/816690350.db2.gz OCLYFNXOSXVQBE-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO N#CCCCCCO[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001224692269 816853558 /nfs/dbraw/zinc/85/35/58/816853558.db2.gz HGLIFINWTGNJFY-KRWDZBQOSA-N 1 1 272.392 3.361 20 30 CGEDMO N#CC1(CO[C@@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC001224948065 816915405 /nfs/dbraw/zinc/91/54/05/816915405.db2.gz MCFBQKOFMUPKFW-OAHLLOKOSA-N 1 1 290.794 3.235 20 30 CGEDMO Cc1c(C#N)c(O[C@H]2CC[N@H+](C(C)C)C2)nc2ccccc12 ZINC001226444048 817358898 /nfs/dbraw/zinc/35/88/98/817358898.db2.gz CGEQEMPZXZFZCZ-AWEZNQCLSA-N 1 1 295.386 3.276 20 30 CGEDMO CC[N@H+]1CCC[C@@H](Oc2ccc3nc(C#N)sc3c2)C1 ZINC001226671491 817429726 /nfs/dbraw/zinc/42/97/26/817429726.db2.gz JMLWEWUCRVYLHX-GFCCVEGCSA-N 1 1 287.388 3.031 20 30 CGEDMO C[N@H+]1CCC[C@@H](Oc2ccc(Cl)cc2C#N)CC1 ZINC001227205042 817590868 /nfs/dbraw/zinc/59/08/68/817590868.db2.gz BMYUELJRRLHVKY-CYBMUJFWSA-N 1 1 264.756 3.075 20 30 CGEDMO N#Cc1c(Cl)cccc1OC1CC[NH+](CCF)CC1 ZINC001227788798 817721526 /nfs/dbraw/zinc/72/15/26/817721526.db2.gz GVQQBSZRESUJOW-UHFFFAOYSA-N 1 1 282.746 3.024 20 30 CGEDMO C=CCCCCCCNC(=O)N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001228040691 817793491 /nfs/dbraw/zinc/79/34/91/817793491.db2.gz MAKNVCMDOUDUDN-HZPDHXFCSA-N 1 1 295.471 3.247 20 30 CGEDMO Cc1cc(O[C@H]2CCC[N@H+](C(C)C)C2)c(C)cc1C#N ZINC001228147570 817823924 /nfs/dbraw/zinc/82/39/24/817823924.db2.gz PIWZUPPCCUAZQY-INIZCTEOSA-N 1 1 272.392 3.427 20 30 CGEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cccc3ccc(C#N)nc31)C2 ZINC001228411134 817899859 /nfs/dbraw/zinc/89/98/59/817899859.db2.gz KROIOWLILLRJKC-ZSHCYNCHSA-N 1 1 293.370 3.110 20 30 CGEDMO CC(=O)/C=C\c1ccc(O[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC001228495721 817922929 /nfs/dbraw/zinc/92/29/29/817922929.db2.gz FMADEYMERHNTPC-VGOKWCNXSA-N 1 1 273.376 3.150 20 30 CGEDMO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC/C=C/CCC ZINC001231169958 818050125 /nfs/dbraw/zinc/05/01/25/818050125.db2.gz LRZMMXKKNWIHJE-ROJDOSBLSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1CCC1CCCCC1 ZINC001231170556 818050626 /nfs/dbraw/zinc/05/06/26/818050626.db2.gz QUKLNUSEGNMESZ-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)c1ccc(C)s1 ZINC001231301437 818072346 /nfs/dbraw/zinc/07/23/46/818072346.db2.gz VEVJFUIAIQKDKP-ZDUSSCGKSA-N 1 1 294.464 3.463 20 30 CGEDMO C=CC[N@@H+](C)Cc1ccc(Cl)nc1NC(=O)C(C)(C)C ZINC001231449687 818101179 /nfs/dbraw/zinc/10/11/79/818101179.db2.gz HNOWLPQDOXNJPE-UHFFFAOYSA-N 1 1 295.814 3.337 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(Cl)nc1NC(=O)C(C)(C)C ZINC001231449687 818101186 /nfs/dbraw/zinc/10/11/86/818101186.db2.gz HNOWLPQDOXNJPE-UHFFFAOYSA-N 1 1 295.814 3.337 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCC[C@](C)(O)[C@@H](C)C2)c1 ZINC001231621154 818138660 /nfs/dbraw/zinc/13/86/60/818138660.db2.gz RPFMQKFVJYGBMJ-YJBOKZPZSA-N 1 1 289.419 3.234 20 30 CGEDMO C=CC[N@H+](Cc1cc(OC)c(O)cc1O)C1CCCCC1 ZINC001231641095 818143653 /nfs/dbraw/zinc/14/36/53/818143653.db2.gz ZKXKXQQERHUYSW-UHFFFAOYSA-N 1 1 291.391 3.427 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CC[C@H](OCc3ccccc3)C2)c1 ZINC001231659925 818152068 /nfs/dbraw/zinc/15/20/68/818152068.db2.gz XAKUFCAIUAMUAR-FQEVSTJZSA-N 1 1 291.394 3.459 20 30 CGEDMO CC(C)Oc1ncccc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC001231758179 818167660 /nfs/dbraw/zinc/16/76/60/818167660.db2.gz NWWNXGNAZKFLGC-UHFFFAOYSA-N 1 1 295.386 3.372 20 30 CGEDMO CC(C)Oc1ncccc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001231758179 818167666 /nfs/dbraw/zinc/16/76/66/818167666.db2.gz NWWNXGNAZKFLGC-UHFFFAOYSA-N 1 1 295.386 3.372 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C2(CC2)C1 ZINC001231821299 818184126 /nfs/dbraw/zinc/18/41/26/818184126.db2.gz ZTJSXXRXNYSPMJ-HNNXBMFYSA-N 1 1 283.419 3.411 20 30 CGEDMO CN(Cc1cc2c[nH+]ccc2[nH]1)Cc1cccc(C#N)c1 ZINC001232015145 818233493 /nfs/dbraw/zinc/23/34/93/818233493.db2.gz BPSZAQZSNSSJQM-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@]3(C2)CCCCO3)cc1Cl ZINC001232111566 818258644 /nfs/dbraw/zinc/25/86/44/818258644.db2.gz HMKFFTNEJUILGC-INIZCTEOSA-N 1 1 290.794 3.357 20 30 CGEDMO C[C@]1(CO)CCC[N@@H+](Cc2ccc(C#N)c(Cl)c2)CC1 ZINC001232111719 818258950 /nfs/dbraw/zinc/25/89/50/818258950.db2.gz KHLIZRUHWOSZAC-INIZCTEOSA-N 1 1 292.810 3.196 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC001232116041 818259935 /nfs/dbraw/zinc/25/99/35/818259935.db2.gz IUMVPGKHOCKAJB-SMDDNHRTSA-N 1 1 278.783 3.211 20 30 CGEDMO CC(C)[N@@H+](C)[C@@H]1CCN(Cc2ccc(Cl)cc2C#N)C1 ZINC001232609586 818394023 /nfs/dbraw/zinc/39/40/23/818394023.db2.gz KZFLSGDSDYHFKG-MRXNPFEDSA-N 1 1 291.826 3.126 20 30 CGEDMO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1cc(C#N)ccc1[O-] ZINC001232678229 818416959 /nfs/dbraw/zinc/41/69/59/818416959.db2.gz RDMACUKSNOHKDX-CYBMUJFWSA-N 1 1 278.355 3.211 20 30 CGEDMO Cc1cccc(CC[N@H+](C)Cc2cc(C#N)ccc2[O-])c1 ZINC001232679156 818418062 /nfs/dbraw/zinc/41/80/62/818418062.db2.gz FHOQAMDHAUQJCE-UHFFFAOYSA-N 1 1 280.371 3.247 20 30 CGEDMO N#Cc1ccc([O-])c(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c1 ZINC001232678875 818418107 /nfs/dbraw/zinc/41/81/07/818418107.db2.gz SIQXOXKVQFTOHB-DZGCQCFKSA-N 1 1 256.349 3.028 20 30 CGEDMO N#Cc1ccc(C[N@@H+](C2CCC2)C2CCOCC2)s1 ZINC001232845413 818454634 /nfs/dbraw/zinc/45/46/34/818454634.db2.gz WAOBWFHFFJPFPN-UHFFFAOYSA-N 1 1 276.405 3.153 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2Cc2ccccn2)s1 ZINC001232844031 818454856 /nfs/dbraw/zinc/45/48/56/818454856.db2.gz LQTIXKZMFBQKIA-CQSZACIVSA-N 1 1 283.400 3.222 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2Cc2ccccn2)s1 ZINC001232844029 818454959 /nfs/dbraw/zinc/45/49/59/818454959.db2.gz LQTIXKZMFBQKIA-AWEZNQCLSA-N 1 1 283.400 3.222 20 30 CGEDMO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)n1 ZINC001232926362 818475517 /nfs/dbraw/zinc/47/55/17/818475517.db2.gz KUQHZOCNJJXUEF-OKILXGFUSA-N 1 1 275.355 3.040 20 30 CGEDMO COC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccc(C)cc1C#N ZINC001232966722 818485739 /nfs/dbraw/zinc/48/57/39/818485739.db2.gz SPRMSTNCNQJSKK-INIZCTEOSA-N 1 1 272.392 3.256 20 30 CGEDMO Cc1ccc(C[N@@H+](C(C)C)C2CCN(C)CC2)c(C#N)c1 ZINC001232969278 818486035 /nfs/dbraw/zinc/48/60/35/818486035.db2.gz NMYJSOPGMZURON-UHFFFAOYSA-N 1 1 285.435 3.171 20 30 CGEDMO Cc1ccc(C[N@H+](C(C)C)C2CCN(C)CC2)c(C#N)c1 ZINC001232969278 818486040 /nfs/dbraw/zinc/48/60/40/818486040.db2.gz NMYJSOPGMZURON-UHFFFAOYSA-N 1 1 285.435 3.171 20 30 CGEDMO CC[C@@H](c1ccccc1)[N@H+](C)Cc1[nH]ccc1C#N ZINC001233048045 818509537 /nfs/dbraw/zinc/50/95/37/818509537.db2.gz SZGCENRQNGAWSG-INIZCTEOSA-N 1 1 253.349 3.469 20 30 CGEDMO CC[C@@H](c1ccccc1)[N@@H+](C)Cc1[nH]ccc1C#N ZINC001233048045 818509544 /nfs/dbraw/zinc/50/95/44/818509544.db2.gz SZGCENRQNGAWSG-INIZCTEOSA-N 1 1 253.349 3.469 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC(=O)[C@@H]2CCCC[C@@H]21 ZINC001233080063 818520173 /nfs/dbraw/zinc/52/01/73/818520173.db2.gz CGWOEZXIHVFEED-SJORKVTESA-N 1 1 282.387 3.200 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC(=O)[C@@H]2CCCC[C@@H]21 ZINC001233080063 818520178 /nfs/dbraw/zinc/52/01/78/818520178.db2.gz CGWOEZXIHVFEED-SJORKVTESA-N 1 1 282.387 3.200 20 30 CGEDMO C[N@H+](Cc1cccc(F)c1)Cc1ccc(C#N)cc1O ZINC001233383293 818604627 /nfs/dbraw/zinc/60/46/27/818604627.db2.gz CUZLQZJHVNAKQH-UHFFFAOYSA-N 1 1 270.307 3.035 20 30 CGEDMO C[N@@H+](Cc1cccc(F)c1)Cc1ccc(C#N)cc1O ZINC001233383293 818604629 /nfs/dbraw/zinc/60/46/29/818604629.db2.gz CUZLQZJHVNAKQH-UHFFFAOYSA-N 1 1 270.307 3.035 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC001233386830 818606117 /nfs/dbraw/zinc/60/61/17/818606117.db2.gz KGNYWWWMYHPOAK-OAHLLOKOSA-N 1 1 296.345 3.392 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c(O)c1 ZINC001233386830 818606121 /nfs/dbraw/zinc/60/61/21/818606121.db2.gz KGNYWWWMYHPOAK-OAHLLOKOSA-N 1 1 296.345 3.392 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)c(O)c1 ZINC001233386830 818606122 /nfs/dbraw/zinc/60/61/22/818606122.db2.gz KGNYWWWMYHPOAK-OAHLLOKOSA-N 1 1 296.345 3.392 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)/C=C/C1CC1 ZINC001233498097 818627451 /nfs/dbraw/zinc/62/74/51/818627451.db2.gz APOLEZPALTXLSD-SXSDINLZSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CC1CCC1 ZINC001233519011 818630880 /nfs/dbraw/zinc/63/08/80/818630880.db2.gz DHCOXWPIUBJGMY-HOCLYGCPSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)CC1CCC1 ZINC001233520454 818632418 /nfs/dbraw/zinc/63/24/18/818632418.db2.gz MJNBKYAYAKORIZ-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](Oc2ccc3sc(C#N)nc3c2)C1 ZINC001233697514 818683737 /nfs/dbraw/zinc/68/37/37/818683737.db2.gz CNRMKVXXQJGEHR-LBPRGKRZSA-N 1 1 287.388 3.029 20 30 CGEDMO C#CCCCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)CCC=C ZINC001233761405 818699385 /nfs/dbraw/zinc/69/93/85/818699385.db2.gz IVSCKOPLIQJAFP-IAGOWNOFSA-N 1 1 290.451 3.067 20 30 CGEDMO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)c1ccccc1 ZINC001233947257 818737441 /nfs/dbraw/zinc/73/74/41/818737441.db2.gz JVNUJDPOIDEERD-AEFFLSMTSA-N 1 1 298.430 3.084 20 30 CGEDMO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC/C=C/CCC ZINC001233966624 818742868 /nfs/dbraw/zinc/74/28/68/818742868.db2.gz NPYHIFBKDFNZOL-IJDCCNJMSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CCC(CC=C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCCC ZINC001234517774 818871737 /nfs/dbraw/zinc/87/17/37/818871737.db2.gz PNZVWLUTGHAOHU-INIZCTEOSA-N 1 1 278.440 3.088 20 30 CGEDMO CCc1cc(C#N)ccc1CN1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235037444 818987090 /nfs/dbraw/zinc/98/70/90/818987090.db2.gz GDWSRWKMHKMODG-IBGZPJMESA-N 1 1 297.446 3.229 20 30 CGEDMO CCCCCCCCN1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235225913 819040775 /nfs/dbraw/zinc/04/07/75/819040775.db2.gz WDRGYJYGXWFRIC-KBPBESRZSA-N 1 1 292.389 3.431 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@]2(c3ccccc3)CC[NH2+]C[C@H]2C1 ZINC001235361953 819078017 /nfs/dbraw/zinc/07/80/17/819078017.db2.gz GHODINQNMZATQV-RBUKOAKNSA-N 1 1 284.447 3.206 20 30 CGEDMO C=CC[N@H+](Cc1cc(C)c(OCCO)c(C)c1)C(C)(C)C ZINC001235370612 819079722 /nfs/dbraw/zinc/07/97/22/819079722.db2.gz WZZCHJUMYBBPPM-UHFFFAOYSA-N 1 1 291.435 3.461 20 30 CGEDMO CN(CCC[NH3+])Cc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001235435409 819097422 /nfs/dbraw/zinc/09/74/22/819097422.db2.gz MRDJGMBDUZCWII-UHFFFAOYSA-N 1 1 295.386 3.131 20 30 CGEDMO CCCCCCC[N@@H+](C)CCCNC(=O)C1=COCCC1 ZINC001235507850 819111432 /nfs/dbraw/zinc/11/14/32/819111432.db2.gz YLQQUSPZOFXTAF-UHFFFAOYSA-N 1 1 296.455 3.089 20 30 CGEDMO C(#CC1CCN(CC[C@@H]2CCCC[NH2+]2)CC1)c1ccccc1 ZINC001236303888 819417427 /nfs/dbraw/zinc/41/74/27/819417427.db2.gz UINLIYISVMIDLC-FQEVSTJZSA-N 1 1 296.458 3.282 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1c(C)cc(OC)cc1O ZINC001236820274 819607893 /nfs/dbraw/zinc/60/78/93/819607893.db2.gz JMHGQTWFNZZKNX-UHFFFAOYSA-N 1 1 263.381 3.497 20 30 CGEDMO C#CC[N@@H+](C)Cc1ccccc1NC(=O)OC(C)(C)C ZINC001237342788 819732450 /nfs/dbraw/zinc/73/24/50/819732450.db2.gz PXGUYXFTBOFJEJ-UHFFFAOYSA-N 1 1 274.364 3.099 20 30 CGEDMO C#CC[N@H+](C)Cc1ccccc1NC(=O)OC(C)(C)C ZINC001237342788 819732454 /nfs/dbraw/zinc/73/24/54/819732454.db2.gz PXGUYXFTBOFJEJ-UHFFFAOYSA-N 1 1 274.364 3.099 20 30 CGEDMO Cn1cc(C[N@H+]2CCC(C)(C)C2)c2cc(C#N)ccc21 ZINC001237470983 819758970 /nfs/dbraw/zinc/75/89/70/819758970.db2.gz MATZJKWTXCBNMP-UHFFFAOYSA-N 1 1 267.376 3.282 20 30 CGEDMO CC[N@@H+](CCc1ccc(OC)cc1)Cc1ccnc(C#N)c1 ZINC001237468114 819759018 /nfs/dbraw/zinc/75/90/18/819759018.db2.gz FFUPSBFYDXKVRQ-UHFFFAOYSA-N 1 1 295.386 3.026 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1Cc1cn(C)c2ccc(C#N)cc12 ZINC001237467779 819759689 /nfs/dbraw/zinc/75/96/89/819759689.db2.gz ZHRXPYOJODXXGU-CYBMUJFWSA-N 1 1 267.376 3.424 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1cn(C)c2ccc(C#N)cc12 ZINC001237470281 819759692 /nfs/dbraw/zinc/75/96/92/819759692.db2.gz HBPPZUJPBSRERB-UHFFFAOYSA-N 1 1 280.375 3.176 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1cn(C)c2ccc(C#N)cc12 ZINC001237470281 819759696 /nfs/dbraw/zinc/75/96/96/819759696.db2.gz HBPPZUJPBSRERB-UHFFFAOYSA-N 1 1 280.375 3.176 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](c3ccncc3)C2)c(F)cc1F ZINC001237526020 819772283 /nfs/dbraw/zinc/77/22/83/819772283.db2.gz LNEFUKAUQQFQHR-CYBMUJFWSA-N 1 1 299.324 3.221 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@@H](c3ccncc3)C2)c(F)cc1F ZINC001237526020 819772285 /nfs/dbraw/zinc/77/22/85/819772285.db2.gz LNEFUKAUQQFQHR-CYBMUJFWSA-N 1 1 299.324 3.221 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)c(F)cc1F ZINC001237534223 819773424 /nfs/dbraw/zinc/77/34/24/819773424.db2.gz OEQRATGRRKFIKI-CYBMUJFWSA-N 1 1 299.324 3.221 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@@H](c3cccnc3)C2)c(F)cc1F ZINC001237534223 819773431 /nfs/dbraw/zinc/77/34/31/819773431.db2.gz OEQRATGRRKFIKI-CYBMUJFWSA-N 1 1 299.324 3.221 20 30 CGEDMO CCC(CC)[N@@H+](CC)Cc1cn2cc(C#N)ccc2n1 ZINC001237606069 819784838 /nfs/dbraw/zinc/78/48/38/819784838.db2.gz IPEDYTYSXMFOKE-UHFFFAOYSA-N 1 1 270.380 3.216 20 30 CGEDMO Cc1ccccc1C[N@H+](C)Cc1cn2cc(C#N)ccc2n1 ZINC001237615953 819787009 /nfs/dbraw/zinc/78/70/09/819787009.db2.gz YIKFPAYBARLAPM-UHFFFAOYSA-N 1 1 290.370 3.146 20 30 CGEDMO Cc1ccccc1C[N@@H+](C)Cc1cn2cc(C#N)ccc2n1 ZINC001237615953 819787015 /nfs/dbraw/zinc/78/70/15/819787015.db2.gz YIKFPAYBARLAPM-UHFFFAOYSA-N 1 1 290.370 3.146 20 30 CGEDMO Cc1ccc(C[N@H+](C)Cc2cn3cc(C#N)ccc3n2)cc1 ZINC001237612873 819787037 /nfs/dbraw/zinc/78/70/37/819787037.db2.gz CUJWVJWIRZJHEC-UHFFFAOYSA-N 1 1 290.370 3.146 20 30 CGEDMO Cc1ccc(C[N@@H+](C)Cc2cn3cc(C#N)ccc3n2)cc1 ZINC001237612873 819787042 /nfs/dbraw/zinc/78/70/42/819787042.db2.gz CUJWVJWIRZJHEC-UHFFFAOYSA-N 1 1 290.370 3.146 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cc(OC)cc(OC)c1O ZINC001237680281 819806938 /nfs/dbraw/zinc/80/69/38/819806938.db2.gz IRPOMFHZWLTBFS-UHFFFAOYSA-N 1 1 279.380 3.198 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC001237746373 819832667 /nfs/dbraw/zinc/83/26/67/819832667.db2.gz LZOLLUDQMHWSFT-GDBMZVCRSA-N 1 1 290.794 3.213 20 30 CGEDMO CCC[N@H+](CCCN(C)C)Cc1cc(Cl)cc(C#N)c1 ZINC001237755500 819837115 /nfs/dbraw/zinc/83/71/15/819837115.db2.gz PZZWCMLWHGSJEC-UHFFFAOYSA-N 1 1 293.842 3.375 20 30 CGEDMO CCC[N@@H+](CCCN(C)C)Cc1cc(Cl)cc(C#N)c1 ZINC001237755500 819837122 /nfs/dbraw/zinc/83/71/22/819837122.db2.gz PZZWCMLWHGSJEC-UHFFFAOYSA-N 1 1 293.842 3.375 20 30 CGEDMO CCOc1cc(F)cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1 ZINC001237921538 819885968 /nfs/dbraw/zinc/88/59/68/819885968.db2.gz QTMUOQXKUSNKDB-DVSIDAKKSA-N 1 1 288.366 3.491 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cccc(N2CCCCC2)n1 ZINC001238005696 819910085 /nfs/dbraw/zinc/91/00/85/819910085.db2.gz ZORZXIMNEXOPIY-UHFFFAOYSA-N 1 1 273.424 3.470 20 30 CGEDMO Cc1ccc(O)cc1C[N@H+](CCC#N)C1CCCC1 ZINC001238099407 819933947 /nfs/dbraw/zinc/93/39/47/819933947.db2.gz PHTGTTDYWIHAJA-UHFFFAOYSA-N 1 1 258.365 3.359 20 30 CGEDMO Cc1ccc(O)cc1C[N@@H+](CCC#N)C1CCCC1 ZINC001238099407 819933951 /nfs/dbraw/zinc/93/39/51/819933951.db2.gz PHTGTTDYWIHAJA-UHFFFAOYSA-N 1 1 258.365 3.359 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cncc(C3CC3)c2)C1 ZINC001238190604 819951272 /nfs/dbraw/zinc/95/12/72/819951272.db2.gz SQSIHVTXJTXMCH-ZDUSSCGKSA-N 1 1 255.365 3.085 20 30 CGEDMO Cc1cnc(C[N@@H+]2CCc3ccc(C#N)cc3C2)c(C)c1 ZINC001238427479 819992799 /nfs/dbraw/zinc/99/27/99/819992799.db2.gz VRDASPOVLCQFQP-UHFFFAOYSA-N 1 1 277.371 3.128 20 30 CGEDMO Cc1cnc(C[N@H+]2CCc3ccc(C#N)cc3C2)c(C)c1 ZINC001238427479 819992805 /nfs/dbraw/zinc/99/28/05/819992805.db2.gz VRDASPOVLCQFQP-UHFFFAOYSA-N 1 1 277.371 3.128 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(F)cc(N3CCCC3)c2)C1 ZINC001238711621 820097387 /nfs/dbraw/zinc/09/73/87/820097387.db2.gz PZEZHSKIKUJIPK-HNNXBMFYSA-N 1 1 286.394 3.271 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1cc(OCC)ncc1F ZINC001238733369 820104963 /nfs/dbraw/zinc/10/49/63/820104963.db2.gz ZGCZPFKHYXFBMW-UHFFFAOYSA-N 1 1 252.333 3.017 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(OCC)ncc1F ZINC001238733369 820104967 /nfs/dbraw/zinc/10/49/67/820104967.db2.gz ZGCZPFKHYXFBMW-UHFFFAOYSA-N 1 1 252.333 3.017 20 30 CGEDMO CCc1cc(C[N@@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)ccc1C#N ZINC001238765640 820111136 /nfs/dbraw/zinc/11/11/36/820111136.db2.gz HANPSFLSSXLASJ-QZTJIDSGSA-N 1 1 296.414 3.454 20 30 CGEDMO CCc1cc(C[N@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)ccc1C#N ZINC001238765640 820111143 /nfs/dbraw/zinc/11/11/43/820111143.db2.gz HANPSFLSSXLASJ-QZTJIDSGSA-N 1 1 296.414 3.454 20 30 CGEDMO N#CCc1ccnc(C2=CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001240385708 821010612 /nfs/dbraw/zinc/01/06/12/821010612.db2.gz GXJMMUOKEAUOLR-UHFFFAOYSA-N 1 1 289.382 3.437 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1-c1ccc2[nH]c(C#N)cc2c1 ZINC001241243270 821664860 /nfs/dbraw/zinc/66/48/60/821664860.db2.gz PPXLTEHAIQPIOA-UHFFFAOYSA-N 1 1 276.343 3.476 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1-c1ccc(CC#N)c(F)c1 ZINC001241243838 821665145 /nfs/dbraw/zinc/66/51/45/821665145.db2.gz OAQRXYXPRPJYMU-UHFFFAOYSA-N 1 1 269.323 3.328 20 30 CGEDMO C[N@@H+]1CC=C(c2nc(-c3ccccc3)ccc2C#N)CC1 ZINC001241308839 821721622 /nfs/dbraw/zinc/72/16/22/821721622.db2.gz ULHHERDGBJMHKG-UHFFFAOYSA-N 1 1 275.355 3.339 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccc(C#N)nc2)nc1 ZINC001241420865 821817035 /nfs/dbraw/zinc/81/70/35/821817035.db2.gz BHVPDOMEKJLRDW-CQSZACIVSA-N 1 1 292.386 3.390 20 30 CGEDMO C[N@H+]1CCCC[C@H]1c1ccc(-c2ccc(C#N)nc2)nc1 ZINC001241426163 821822753 /nfs/dbraw/zinc/82/27/53/821822753.db2.gz NJSSSSABVJAESH-KRWDZBQOSA-N 1 1 278.359 3.172 20 30 CGEDMO N#CCc1cc(C2=CC[N@@H+](Cc3ccccc3)CC2)ccn1 ZINC001241507154 821907559 /nfs/dbraw/zinc/90/75/59/821907559.db2.gz QBEMOJNNFVHOOD-UHFFFAOYSA-N 1 1 289.382 3.437 20 30 CGEDMO C[N@H+]1CCC=C(c2ccc(C#C[Si](C)(C)C)nc2)C1 ZINC001241570298 821957039 /nfs/dbraw/zinc/95/70/39/821957039.db2.gz GXXPDHWJOLDBIA-UHFFFAOYSA-N 1 1 270.452 3.029 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1C1=CC(=O)CC(C)(C)C1 ZINC001242315793 822949708 /nfs/dbraw/zinc/94/97/08/822949708.db2.gz ZPRVSBVQMBJQJL-UHFFFAOYSA-N 1 1 258.365 3.229 20 30 CGEDMO Cc1cc(C#N)cc(-c2c[nH+]c(N(C)C)cc2C)c1 ZINC001242478509 823006776 /nfs/dbraw/zinc/00/67/76/823006776.db2.gz JGHMTZHEENZRJY-UHFFFAOYSA-N 1 1 251.333 3.303 20 30 CGEDMO C[N@@H+](Cc1ccc(-c2ccc(F)cc2C#N)nc1)C1CC1 ZINC001242582069 823043610 /nfs/dbraw/zinc/04/36/10/823043610.db2.gz LCAPTRRGXHYHFX-UHFFFAOYSA-N 1 1 281.334 3.354 20 30 CGEDMO CS[C@@H]1CC[C@H]([N@@H+](C)CCCC2(C#N)CCOCC2)C1 ZINC001339844214 936388078 /nfs/dbraw/zinc/38/80/78/936388078.db2.gz ONTDYXUDNSMHEC-LSDHHAIUSA-N 1 1 296.480 3.303 20 30 CGEDMO C=C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC001340246912 936400575 /nfs/dbraw/zinc/40/05/75/936400575.db2.gz XJZSAPYBBGKZCB-WBVHZDCISA-N 1 1 286.419 3.040 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc(N(CC)CC)cc2)C1 ZINC001342325118 936464907 /nfs/dbraw/zinc/46/49/07/936464907.db2.gz KZEOKJVVEFIGPH-GOSISDBHSA-N 1 1 288.435 3.310 20 30 CGEDMO CCC[N@H+]1CCCC[C@@H]1C(=O)O[C@H]1CC[C@@](C)(C#N)CC1 ZINC001344823437 936544603 /nfs/dbraw/zinc/54/46/03/936544603.db2.gz JNKKFKFWHXUELE-INMHGKMJSA-N 1 1 292.423 3.267 20 30 CGEDMO CC(C)(C#N)c1ccc(CN2CCC[N@H+]3CCC[C@@H]3C2)cc1 ZINC001346503181 936851375 /nfs/dbraw/zinc/85/13/75/936851375.db2.gz QYZCTBIJIZHXBW-GOSISDBHSA-N 1 1 297.446 3.158 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCCF ZINC001480371827 937047745 /nfs/dbraw/zinc/04/77/45/937047745.db2.gz GZMHPZYXMHTTOF-CVEARBPZSA-N 1 1 296.430 3.158 20 30 CGEDMO C=CCC[N@@H+](C)CCNC(=O)c1cccc2c(C)c(C)[nH]c21 ZINC001480881690 926716676 /nfs/dbraw/zinc/71/66/76/926716676.db2.gz JCGILMRVZKUFNH-UHFFFAOYSA-N 1 1 299.418 3.022 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)CC1CCC(O)CC1 ZINC001347105697 926717592 /nfs/dbraw/zinc/71/75/92/926717592.db2.gz ZZJLMVDOHSEGNG-UHFFFAOYSA-N 1 1 266.429 3.189 20 30 CGEDMO CC[N@H+]1CC[C@H](N(C)c2cc(F)ccc2C#N)C[C@H]1C ZINC001472704614 937105460 /nfs/dbraw/zinc/10/54/60/937105460.db2.gz CBWGVUBIEVZEBZ-DOMZBBRYSA-N 1 1 275.371 3.006 20 30 CGEDMO C=CCCCC(=O)NCC[N@H+](C)[C@H]1CCc2ccccc21 ZINC001480906425 926769461 /nfs/dbraw/zinc/76/94/61/926769461.db2.gz WJLIJYNKKBDBBR-KRWDZBQOSA-N 1 1 286.419 3.078 20 30 CGEDMO C=C(C)C[N@H+](C)CCNC(=O)CC[C@H](C)c1ccccc1 ZINC001480921779 926795891 /nfs/dbraw/zinc/79/58/91/926795891.db2.gz URYGHHKRGRPHGX-INIZCTEOSA-N 1 1 288.435 3.194 20 30 CGEDMO CC1(C)[C@@H]2C[N@H+](Cc3cccc(C#N)c3Cl)C[C@@H]21 ZINC001140809858 926856735 /nfs/dbraw/zinc/85/67/35/926856735.db2.gz KMNGACVAMWLVGD-BETUJISGSA-N 1 1 260.768 3.299 20 30 CGEDMO C=C(C)C[N@H+](CC)CCNC(=O)[C@H]1CCCC[C@H]1CC ZINC001481008345 926857512 /nfs/dbraw/zinc/85/75/12/926857512.db2.gz PACGQWWNKLMTJS-CVEARBPZSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](CNC(=O)C2(C)CCCCCC2)C1 ZINC001481094953 926882282 /nfs/dbraw/zinc/88/22/82/926882282.db2.gz DEOJCMFLSMDBOA-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001481119342 926890621 /nfs/dbraw/zinc/89/06/21/926890621.db2.gz UFAPYODWQAMQMQ-JKSUJKDBSA-N 1 1 294.483 3.463 20 30 CGEDMO C#CCCCCC(=O)N(CCC)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001481397837 926976721 /nfs/dbraw/zinc/97/67/21/926976721.db2.gz YJDBRGQMYBRCGZ-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCC[NH+]1CC(NC(=O)c2ccccc2C2(C)CC2)C1 ZINC001481582741 927033274 /nfs/dbraw/zinc/03/32/74/927033274.db2.gz REIFBRHWMMGHHP-UHFFFAOYSA-N 1 1 298.430 3.118 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)c2cc(C)oc2C)C1 ZINC001481684805 927054892 /nfs/dbraw/zinc/05/48/92/927054892.db2.gz JOGBTSNREDABPY-WFASDCNBSA-N 1 1 290.407 3.055 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001481692975 927060550 /nfs/dbraw/zinc/06/05/50/927060550.db2.gz NTXZZJSSOLGTBP-MAUKXSAKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2sccc2F)C1 ZINC001481701243 927063045 /nfs/dbraw/zinc/06/30/45/927063045.db2.gz GASXQDKIMLJHPJ-NWDGAFQWSA-N 1 1 296.411 3.046 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H](NC(=O)C23CCC(CC2)CC3)C1 ZINC001481696422 927065360 /nfs/dbraw/zinc/06/53/60/927065360.db2.gz JYUZFHUDTOXLJT-PQUAAJSLSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)CCC2CCCCC2)C1 ZINC001481750411 927078732 /nfs/dbraw/zinc/07/87/32/927078732.db2.gz MALLPBVWEZIHIC-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCCC(=O)N(C)CC[N@@H+](C)CCC(C)(C)C ZINC001482621946 927328948 /nfs/dbraw/zinc/32/89/48/927328948.db2.gz FIMJDHVMMQLFOO-UHFFFAOYSA-N 1 1 268.445 3.169 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@H]1CCC(C)(C)C1 ZINC001482626171 927330350 /nfs/dbraw/zinc/33/03/50/927330350.db2.gz ANILGXXCTWLEHO-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)CC1CCCC1 ZINC001483306888 927477351 /nfs/dbraw/zinc/47/73/51/927477351.db2.gz KADQJGGBNYUAOG-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H](C)C[N@@H+](C)CC1CCCC1 ZINC001483343263 927486573 /nfs/dbraw/zinc/48/65/73/927486573.db2.gz XGNCAOOIOOJUJX-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)c1ccccc1CCC ZINC001483365314 927489492 /nfs/dbraw/zinc/48/94/92/927489492.db2.gz OIUZLNHDNLBEET-HNNXBMFYSA-N 1 1 288.435 3.265 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)CCCC)CCC[C@H]12 ZINC001507336559 927500089 /nfs/dbraw/zinc/50/00/89/927500089.db2.gz SYOHBNUOEGOHQQ-ZFWWWQNUSA-N 1 1 284.831 3.042 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)CCCC)CCC[C@H]12 ZINC001507336559 927500096 /nfs/dbraw/zinc/50/00/96/927500096.db2.gz SYOHBNUOEGOHQQ-ZFWWWQNUSA-N 1 1 284.831 3.042 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)C/C=C(\C)C=C ZINC001483674200 927565037 /nfs/dbraw/zinc/56/50/37/927565037.db2.gz XCURYDSMRKGPBO-GQXMGIGRSA-N 1 1 276.424 3.054 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@H]1CC[N@H+]1CC1=CCCCC1 ZINC001483673110 927565658 /nfs/dbraw/zinc/56/56/58/927565658.db2.gz MXOLEBKZCBBZHS-DOTOQJQBSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@@H](C)CC)C2)C1 ZINC001483838449 927635409 /nfs/dbraw/zinc/63/54/09/927635409.db2.gz GJSCACMEYDSIJG-WMZOPIPTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC ZINC001484391877 927699583 /nfs/dbraw/zinc/69/95/83/927699583.db2.gz ZDBMIYWTEYIMNJ-MUJYYYPQSA-N 1 1 292.467 3.358 20 30 CGEDMO CCCCCCC[N@@H+]1C[C@H]2CN(C(=O)CCC)C[C@H]2C1 ZINC001484400760 927702149 /nfs/dbraw/zinc/70/21/49/927702149.db2.gz CLDGAOMVYICULR-IYBDPMFKSA-N 1 1 280.456 3.147 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCC ZINC001484456136 927706454 /nfs/dbraw/zinc/70/64/54/927706454.db2.gz LPEYGUATTHBIDX-HZPDHXFCSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCC ZINC001484456135 927706827 /nfs/dbraw/zinc/70/68/27/927706827.db2.gz LPEYGUATTHBIDX-HOTGVXAUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC=C(C)C ZINC001484462138 927709789 /nfs/dbraw/zinc/70/97/89/927709789.db2.gz LRRXCJXKRMXWSG-DLBZAZTESA-N 1 1 290.451 3.374 20 30 CGEDMO Cc1cc([C@@H](C)[NH2+]Cc2cc(C#N)ccn2)c(C)o1 ZINC001473355795 937190148 /nfs/dbraw/zinc/19/01/48/937190148.db2.gz MYMCBSNFJUPXFN-LLVKDONJSA-N 1 1 255.321 3.014 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)C1(F)CCCCC1 ZINC001484764393 927753146 /nfs/dbraw/zinc/75/31/46/927753146.db2.gz GWXHQJUOWXRVCL-UHFFFAOYSA-N 1 1 284.419 3.015 20 30 CGEDMO C=CCCC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3C[C@H]3C)cc2C1 ZINC001484874133 927763550 /nfs/dbraw/zinc/76/35/50/927763550.db2.gz GFDGZCNSIMZYEZ-KDOFPFPSSA-N 1 1 298.430 3.241 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCCC)C(C)(C)C1 ZINC001484933869 927771878 /nfs/dbraw/zinc/77/18/78/927771878.db2.gz MZEBRBCKUIUTDW-CYBMUJFWSA-N 1 1 286.847 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCCC)C(C)(C)C1 ZINC001484933869 927771880 /nfs/dbraw/zinc/77/18/80/927771880.db2.gz MZEBRBCKUIUTDW-CYBMUJFWSA-N 1 1 286.847 3.146 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@H]1CC[N@@H+](CC(C)C)CC1(C)C ZINC001484937385 927773593 /nfs/dbraw/zinc/77/35/93/927773593.db2.gz NLYFBAZYQWQDGB-HOTGVXAUSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)/C(C)=C\CC)C[C@H]1C ZINC001484970093 927777564 /nfs/dbraw/zinc/77/75/64/927777564.db2.gz YWSUVCPFUCTTOZ-QAIKFOBFSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[N@@H+](CC2=CCCCC2)[C@@H](C)C1 ZINC001484968557 927778804 /nfs/dbraw/zinc/77/88/04/927778804.db2.gz REXJUYWHPQXJEI-DOTOQJQBSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)CCC2(C)CC2)C[C@H]1C ZINC001484982086 927779850 /nfs/dbraw/zinc/77/98/50/927779850.db2.gz QENSODIRSNJPJG-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)C=C(C)C ZINC001485472729 927875223 /nfs/dbraw/zinc/87/52/23/927875223.db2.gz ITOYMDPMAIRTRB-INIZCTEOSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CC[N@H+]1CCCCC[C@H]1CNC(=O)C[C@H]1CC=CCC1 ZINC001485480909 927880961 /nfs/dbraw/zinc/88/09/61/927880961.db2.gz SZJDWSCXYDXOBW-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C#CC[NH+]1CC([C@H](C)NC(=O)[C@@](C)(CC)CCCCC)C1 ZINC001485539030 927884529 /nfs/dbraw/zinc/88/45/29/927884529.db2.gz KWBJSDRUJDLWHB-YJBOKZPZSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)CC(C)(C)CC)C[C@@]2(C)C1 ZINC001485668473 927897495 /nfs/dbraw/zinc/89/74/95/927897495.db2.gz SWFXKGVDTALLCC-HDICACEKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)[C@@]2(C)CC=CCC2)CC1 ZINC001485757361 927912741 /nfs/dbraw/zinc/91/27/41/927912741.db2.gz IPZNNVCUMHGUBJ-SFHVURJKSA-N 1 1 290.451 3.232 20 30 CGEDMO CCCCCCCCCC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000144365535 928080323 /nfs/dbraw/zinc/08/03/23/928080323.db2.gz CRSRCNYLPQJRFA-HNNXBMFYSA-N 1 1 280.456 3.480 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCCC[C@@]2(CC[N@@H+](CC)C2)C1 ZINC001324555582 928093258 /nfs/dbraw/zinc/09/32/58/928093258.db2.gz ABTXWKYSPRJCAG-AEFFLSMTSA-N 1 1 292.467 3.313 20 30 CGEDMO CC(C)N1CC[C@@H]([NH2+][C@H](C)Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC001171204428 928200507 /nfs/dbraw/zinc/20/05/07/928200507.db2.gz XRYMRVIFGLNDRI-FRQCXROJSA-N 1 1 299.462 3.198 20 30 CGEDMO C[C@@]1(C#N)CCC[N@H+](Cc2cc3ccc(F)cc3[nH]c2=O)C1 ZINC001363909675 937232300 /nfs/dbraw/zinc/23/23/00/937232300.db2.gz NRCLYHAUJWHVEN-KRWDZBQOSA-N 1 1 299.349 3.205 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](Cc2cc3ccc(F)cc3[nH]c2=O)C1 ZINC001363909675 937232303 /nfs/dbraw/zinc/23/23/03/937232303.db2.gz NRCLYHAUJWHVEN-KRWDZBQOSA-N 1 1 299.349 3.205 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CCC[N@H+]2C/C=C\Cl)CCC1 ZINC001493135423 928296566 /nfs/dbraw/zinc/29/65/66/928296566.db2.gz IIFJHWFKZMTMCT-MFNCVGGLSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CCC[N@@H+]2C/C=C\Cl)CCC1 ZINC001493135423 928296576 /nfs/dbraw/zinc/29/65/76/928296576.db2.gz IIFJHWFKZMTMCT-MFNCVGGLSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C/C=C(/C)C=C)[C@H]1CC ZINC001489128674 928314539 /nfs/dbraw/zinc/31/45/39/928314539.db2.gz OCGHTDFCDVJHFW-KCKALFRLSA-N 1 1 276.424 3.054 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC(CC)CC)[C@H]1CC ZINC001489139821 928316123 /nfs/dbraw/zinc/31/61/23/928316123.db2.gz XTGJHYVQZAAIHF-JKSUJKDBSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CC/C=C\CC)[C@@H]2C)C1 ZINC001489288672 928325805 /nfs/dbraw/zinc/32/58/05/928325805.db2.gz KNWFLIJKIWBIOQ-UWUBPMADSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](C)CCC ZINC001489320216 928325933 /nfs/dbraw/zinc/32/59/33/928325933.db2.gz UCLHACSBDAXVBV-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)C2(F)CCCC2)C1 ZINC001490442534 928360665 /nfs/dbraw/zinc/36/06/65/928360665.db2.gz QOPJUNDYARLNSR-LSDHHAIUSA-N 1 1 296.430 3.204 20 30 CGEDMO CC(C)C#CC(=O)N[C@@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001490436044 928362190 /nfs/dbraw/zinc/36/21/90/928362190.db2.gz CXBHPIGRPSKTPH-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC(C)(C)C=C ZINC001490791619 928389948 /nfs/dbraw/zinc/38/99/48/928389948.db2.gz LQNCSHHOFLCLTL-IYBDPMFKSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C(C)C[N@@H+](C)CCNC(=O)c1ccc(C)c(C)c1Cl ZINC001492817528 937241798 /nfs/dbraw/zinc/24/17/98/937241798.db2.gz SMWYUCKSSBJANY-UHFFFAOYSA-N 1 1 294.826 3.195 20 30 CGEDMO C=C1CC(C)(C(=O)NCCC[N@H+](C[C@H](F)CC)C(C)C)C1 ZINC001317700233 928395566 /nfs/dbraw/zinc/39/55/66/928395566.db2.gz OEKJPJNXVXDWEL-OAHLLOKOSA-N 1 1 298.446 3.308 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@H](OC)C[C@@H]1C(=O)OC ZINC001459818237 928727311 /nfs/dbraw/zinc/72/73/11/928727311.db2.gz ILAHNEPLCIODDU-JKSUJKDBSA-N 1 1 299.455 3.389 20 30 CGEDMO Cc1cc(Br)cc(C[NH2+]C[C@@H](C)C#N)c1 ZINC000389993721 928795778 /nfs/dbraw/zinc/79/57/78/928795778.db2.gz PQCAPVHUPWXYLV-JTQLQIEISA-N 1 1 267.170 3.007 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](CNC(=O)C[C@H](C)C2CC2)C1 ZINC001491133526 928835181 /nfs/dbraw/zinc/83/51/81/928835181.db2.gz MRNXFRWNSIYBGW-JKSUJKDBSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)CCC(C)C ZINC001491195960 928840815 /nfs/dbraw/zinc/84/08/15/928840815.db2.gz JVJPZUFYWDZCRQ-INIZCTEOSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CC(CC)CC)C1 ZINC001491294701 928855159 /nfs/dbraw/zinc/85/51/59/928855159.db2.gz GSQMIYSVWDBJNR-DOTOQJQBSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CCOCC[N@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC001459312669 937485112 /nfs/dbraw/zinc/48/51/12/937485112.db2.gz XOFDEUCLCMNCHR-UHFFFAOYSA-N 1 1 297.320 3.320 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)C[C@@H]1CC(C)(C)CO1 ZINC001459607471 937493511 /nfs/dbraw/zinc/49/35/11/937493511.db2.gz JEWCEOZIKOGTSJ-AWEZNQCLSA-N 1 1 252.402 3.063 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)C[C@@H]1CC(C)(C)CO1 ZINC001459607471 937493512 /nfs/dbraw/zinc/49/35/12/937493512.db2.gz JEWCEOZIKOGTSJ-AWEZNQCLSA-N 1 1 252.402 3.063 20 30 CGEDMO N#Cc1cccc([C@@H](O)C[N@H+]2CC[C@H]2c2cccc(F)c2)c1 ZINC001459609187 937493593 /nfs/dbraw/zinc/49/35/93/937493593.db2.gz LDSQZSCASQZJGN-ROUUACIJSA-N 1 1 296.345 3.178 20 30 CGEDMO C=C(C)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CCC ZINC001459928895 937506452 /nfs/dbraw/zinc/50/64/52/937506452.db2.gz JZZYMTJMTYLQMS-AWEZNQCLSA-N 1 1 282.428 3.284 20 30 CGEDMO C=CC[N@@H+](CCOC)Cc1c(C)cccc1Cl ZINC001460047264 937513623 /nfs/dbraw/zinc/51/36/23/937513623.db2.gz QGYCDVXBGUPCEI-UHFFFAOYSA-N 1 1 253.773 3.283 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1c(C)cccc1Cl ZINC001460047264 937513626 /nfs/dbraw/zinc/51/36/26/937513626.db2.gz QGYCDVXBGUPCEI-UHFFFAOYSA-N 1 1 253.773 3.283 20 30 CGEDMO C=CCCCCC[NH2+][C@H](C(=O)OC(C)C)C(C)C ZINC001460140792 937517281 /nfs/dbraw/zinc/51/72/81/937517281.db2.gz MPQKIUWNWHVWMX-AWEZNQCLSA-N 1 1 255.402 3.299 20 30 CGEDMO C#CCCCCCC[N@@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC001460193401 937519946 /nfs/dbraw/zinc/51/99/46/937519946.db2.gz CKVHGHZWJBGSPL-JKSUJKDBSA-N 1 1 263.425 3.460 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cccc(C(=O)OC)c2)C1 ZINC001460358340 937528851 /nfs/dbraw/zinc/52/88/51/937528851.db2.gz DHZFXBYDYYHYQD-CQSZACIVSA-N 1 1 273.376 3.261 20 30 CGEDMO C#CC[N@H+](C[C@H]1CCCCC1(C)C)C1CSC1 ZINC001460378754 937529317 /nfs/dbraw/zinc/52/93/17/937529317.db2.gz XTQQCGKEHQEVHE-CYBMUJFWSA-N 1 1 251.439 3.253 20 30 CGEDMO COc1cc(C[N@H+](C)CCC2(C#N)CCCCC2)sn1 ZINC001460834072 937548416 /nfs/dbraw/zinc/54/84/16/937548416.db2.gz JFISNYXXFJRJJN-UHFFFAOYSA-N 1 1 293.436 3.448 20 30 CGEDMO COc1cc(C[N@@H+](C)CCC2(C#N)CCCCC2)sn1 ZINC001460834072 937548419 /nfs/dbraw/zinc/54/84/19/937548419.db2.gz JFISNYXXFJRJJN-UHFFFAOYSA-N 1 1 293.436 3.448 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1cc(=O)oc2cc(O)ccc12 ZINC001460886590 937550129 /nfs/dbraw/zinc/55/01/29/937550129.db2.gz NWLJZQGJHKIKIS-AWEZNQCLSA-N 1 1 299.370 3.429 20 30 CGEDMO C#CC[N@@H+](CCOCC1CC1)[C@@H]1CCCc2ccccc21 ZINC001460823484 937547145 /nfs/dbraw/zinc/54/71/45/937547145.db2.gz BUCRGLAPKFOIRM-LJQANCHMSA-N 1 1 283.415 3.426 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CC[C@H](Cc2nc(C)cs2)C1 ZINC001460825530 937547445 /nfs/dbraw/zinc/54/74/45/937547445.db2.gz BNWTUSCEDLQKQQ-UONOGXRCSA-N 1 1 262.422 3.118 20 30 CGEDMO C#CC[N@@H+](Cc1ccc[nH]1)[C@@H]1CCc2ccccc21 ZINC000190579012 932025833 /nfs/dbraw/zinc/02/58/33/932025833.db2.gz IIOVVNLQXCMHTF-QGZVFWFLSA-N 1 1 250.345 3.137 20 30 CGEDMO CC[N@H+]1CCC[C@@H](Oc2cc(C#N)ccc2Cl)C1 ZINC001229251007 932123887 /nfs/dbraw/zinc/12/38/87/932123887.db2.gz SGTNRFUAWNTCFG-GFCCVEGCSA-N 1 1 264.756 3.075 20 30 CGEDMO C=CCc1ccc(O)c(O[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001229338998 932135812 /nfs/dbraw/zinc/13/58/12/932135812.db2.gz SNBVHIOGQUPDBM-HNNXBMFYSA-N 1 1 275.392 3.372 20 30 CGEDMO C=CCOc1ccccc1O[C@@H]1CCC[N@H+](C)CC1 ZINC001229613601 932179159 /nfs/dbraw/zinc/17/91/59/932179159.db2.gz DXXXDAWCTQOJHM-CQSZACIVSA-N 1 1 261.365 3.115 20 30 CGEDMO C=CC[N@@H+](CC12CC(C1)CN2C(=O)OC(C)(C)C)C(C)C ZINC001461887828 937603866 /nfs/dbraw/zinc/60/38/66/937603866.db2.gz KSKHVILMZKXCKC-UHFFFAOYSA-N 1 1 294.439 3.282 20 30 CGEDMO CC(C)[N@H+](CCC#N)Cc1ccc2scnc2c1 ZINC001461893747 937604840 /nfs/dbraw/zinc/60/48/40/937604840.db2.gz GKNRSRDWZIKCBG-UHFFFAOYSA-N 1 1 259.378 3.420 20 30 CGEDMO CC(C)[N@@H+](CCC#N)Cc1ccc2scnc2c1 ZINC001461893747 937604842 /nfs/dbraw/zinc/60/48/42/937604842.db2.gz GKNRSRDWZIKCBG-UHFFFAOYSA-N 1 1 259.378 3.420 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C1CCCC1 ZINC001230575013 932591691 /nfs/dbraw/zinc/59/16/91/932591691.db2.gz KBFNTIXGHLDUPF-ZBFHGGJFSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C1CCCC1 ZINC001230575009 932591783 /nfs/dbraw/zinc/59/17/83/932591783.db2.gz KBFNTIXGHLDUPF-GDBMZVCRSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1ccc2nccnc2c1 ZINC001461997723 937612098 /nfs/dbraw/zinc/61/20/98/937612098.db2.gz HMUMGGITVKKXOO-UHFFFAOYSA-N 1 1 293.370 3.454 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC)CCCC ZINC001230845005 932630930 /nfs/dbraw/zinc/63/09/30/932630930.db2.gz USIHRQLJKGJSSJ-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C=C1CCCCC1 ZINC001231043698 932664927 /nfs/dbraw/zinc/66/49/27/932664927.db2.gz SKLUMNNTBPBBSO-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CCC[N@@H+](CCC2CC2)[C@@H]1C ZINC001332197065 932734987 /nfs/dbraw/zinc/73/49/87/932734987.db2.gz AAUMDPYRWMXSKT-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)C/C=C\c1ccc(C)cc1 ZINC001316609559 932748893 /nfs/dbraw/zinc/74/88/93/932748893.db2.gz CZPSMGNAGPVMKC-XFHJGTJQSA-N 1 1 298.430 3.117 20 30 CGEDMO C=CC[C@H]([NH2+]C[C@@H](C)C1CCCCC1)C(=O)OCC ZINC001462186340 937623025 /nfs/dbraw/zinc/62/30/25/937623025.db2.gz CRZKITATQLHBPT-HIFRSBDPSA-N 1 1 267.413 3.300 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@]23C[C@H]2CCC3)C1 ZINC001491939051 932798220 /nfs/dbraw/zinc/79/82/20/932798220.db2.gz PRYVEBAZGVNJBV-JFIYKMOQSA-N 1 1 290.451 3.066 20 30 CGEDMO C#CCCCCCC(=O)N1CCC[C@@H]([N@@H+](C)CC(=C)C)C1 ZINC001491943947 932798662 /nfs/dbraw/zinc/79/86/62/932798662.db2.gz PRNGZEXLQRQXAC-QGZVFWFLSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)CCNC(=O)c1cc[nH]c1C(C)C ZINC001492381925 932815723 /nfs/dbraw/zinc/81/57/23/932815723.db2.gz WWNXVCKASKIUJL-AWEZNQCLSA-N 1 1 291.439 3.154 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](CC[C@H](C)c2ccccc2)C1 ZINC001338844552 932876657 /nfs/dbraw/zinc/87/66/57/932876657.db2.gz GHMOKPCUHOSIGA-RDJZCZTQSA-N 1 1 259.393 3.457 20 30 CGEDMO CO[C@@H](C)C[N@@H+](Cc1cc(Cl)cc(C#N)c1)C(C)C ZINC001307481681 932960282 /nfs/dbraw/zinc/96/02/82/932960282.db2.gz HHOALBPDDJDZRP-LBPRGKRZSA-N 1 1 280.799 3.457 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001307597620 932974685 /nfs/dbraw/zinc/97/46/85/932974685.db2.gz PFTHJJUTPOBKBO-DDTOSNHZSA-N 1 1 262.303 3.206 20 30 CGEDMO C#CC[N@H+](CC[C@H](C)c1ccccc1)C1CSC1 ZINC001462521461 937647340 /nfs/dbraw/zinc/64/73/40/937647340.db2.gz WZTXKEXBCMUNPH-AWEZNQCLSA-N 1 1 259.418 3.231 20 30 CGEDMO CCCCCCCC[N@H+]1CCN(CC)C(=O)C1(C)C ZINC001307710056 932989187 /nfs/dbraw/zinc/98/91/87/932989187.db2.gz PLMMHEYQBKAGKY-UHFFFAOYSA-N 1 1 268.445 3.290 20 30 CGEDMO N#Cc1cccc(OCC[N@H+]2CCC[C@@H](C3CCC3)C2)c1 ZINC001307947465 933024072 /nfs/dbraw/zinc/02/40/72/933024072.db2.gz RIHUGPCMRNBQRI-QGZVFWFLSA-N 1 1 284.403 3.449 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC001308022452 933034912 /nfs/dbraw/zinc/03/49/12/933034912.db2.gz MAUARBMPYDGHMM-LSDHHAIUSA-N 1 1 294.439 3.284 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC001308020613 933036145 /nfs/dbraw/zinc/03/61/45/933036145.db2.gz UKUAWRHSZLHCIO-LSDHHAIUSA-N 1 1 294.439 3.426 20 30 CGEDMO C[C@@H]([NH2+]Cc1cc(F)ncc1F)c1cccc(C#N)c1 ZINC001462582198 937651839 /nfs/dbraw/zinc/65/18/39/937651839.db2.gz RRICWWFZZQFSII-SNVBAGLBSA-N 1 1 273.286 3.082 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1C[C@H](O)Cc1ccc(F)cc1 ZINC001308137611 933054906 /nfs/dbraw/zinc/05/49/06/933054906.db2.gz RHNJICYLKDTUHY-DLBZAZTESA-N 1 1 277.383 3.160 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(F)c(F)c1 ZINC001308137664 933055093 /nfs/dbraw/zinc/05/50/93/933055093.db2.gz SOKYUBADTOUFBC-XJKSGUPXSA-N 1 1 281.346 3.429 20 30 CGEDMO C#C[C@H]1CCCC[N@@H+]1Cc1ccc(OC(F)F)cc1 ZINC001308143856 933057015 /nfs/dbraw/zinc/05/70/15/933057015.db2.gz WMABNVOECYUDNY-ZDUSSCGKSA-N 1 1 265.303 3.276 20 30 CGEDMO Cc1cc(Cl)cc(C[NH2+]CC2(C#N)CCOCC2)c1 ZINC001308548729 933129015 /nfs/dbraw/zinc/12/90/15/933129015.db2.gz FSIICVMLWRYTGZ-UHFFFAOYSA-N 1 1 278.783 3.058 20 30 CGEDMO C=CC[N@@H+](CC(=O)OCC)CC1CCC(C(C)C)CC1 ZINC001308559589 933132927 /nfs/dbraw/zinc/13/29/27/933132927.db2.gz FWMBWLPJEVRSGV-UHFFFAOYSA-N 1 1 281.440 3.500 20 30 CGEDMO C=CC[N@H+](CC(=O)OCC)CC1CCC(C(C)C)CC1 ZINC001308559589 933132932 /nfs/dbraw/zinc/13/29/32/933132932.db2.gz FWMBWLPJEVRSGV-UHFFFAOYSA-N 1 1 281.440 3.500 20 30 CGEDMO COc1cc(C)c(C[N@@H+](CCC#N)CC(C)C)c(O)c1 ZINC001308651358 933151146 /nfs/dbraw/zinc/15/11/46/933151146.db2.gz UBSYCDKYRMBCMR-UHFFFAOYSA-N 1 1 276.380 3.081 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2c(OC)cc(F)cc2OC)C1 ZINC001308831283 933185440 /nfs/dbraw/zinc/18/54/40/933185440.db2.gz AHNPRPMRAREHMG-CYBMUJFWSA-N 1 1 291.366 3.078 20 30 CGEDMO C[C@H]1[C@@H](C)[N@H+](Cc2cc(C#N)ccc2N(C)C)C[C@H]1C ZINC001308826617 933185523 /nfs/dbraw/zinc/18/55/23/933185523.db2.gz UEWJOEVFUDEAOH-MGPQQGTHSA-N 1 1 271.408 3.101 20 30 CGEDMO C=CCCC[N@@H+](C)CCCNC(=O)c1cccc(C)c1C ZINC001316863616 933280618 /nfs/dbraw/zinc/28/06/18/933280618.db2.gz JMJZVUBLJDWQQI-UHFFFAOYSA-N 1 1 288.435 3.321 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H]1CNC(=O)C1CC(C)C1 ZINC001317498843 933282333 /nfs/dbraw/zinc/28/23/33/933282333.db2.gz YNIQFXWSGMDQFB-OFLPRAFFSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@](C)(F)CCCC)[C@H]1CC ZINC001316732378 933477072 /nfs/dbraw/zinc/47/70/72/933477072.db2.gz CFGLCZTVVFXRHO-ZMSDIMECSA-N 1 1 298.446 3.450 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)CCC)[C@H]1CC ZINC001316729220 933478056 /nfs/dbraw/zinc/47/80/56/933478056.db2.gz DRAWXTGFBUAJDZ-OWCLPIDISA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)/C(C)=C\C)CC(C)(C)C1 ZINC001316811608 933485943 /nfs/dbraw/zinc/48/59/43/933485943.db2.gz SAPMZIVKIIRSKH-GSHXUFRSSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)C1C(C)(C)C1(C)C)C1CC1 ZINC001316912919 933494548 /nfs/dbraw/zinc/49/45/48/933494548.db2.gz DDTVMOAOHRCBNE-UHFFFAOYSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)[C@H](C)[C@H](C)C(C)(C)C)C1CC1 ZINC001316925500 933494857 /nfs/dbraw/zinc/49/48/57/933494857.db2.gz RNNRWEPTVBZVNT-CABCVRRESA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCCC2CCCC2)C1 ZINC001316993911 933507851 /nfs/dbraw/zinc/50/78/51/933507851.db2.gz GGQIWPVUMTTZKY-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](CCCC)C(C)C)C1 ZINC001316994939 933508154 /nfs/dbraw/zinc/50/81/54/933508154.db2.gz ROAYGVMMRYJHRJ-HOTGVXAUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)CCCC2CC2)C1 ZINC001317039723 933519449 /nfs/dbraw/zinc/51/94/49/933519449.db2.gz UJDDSWRMBYEDHZ-QGZVFWFLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C=C2CCC2)C1 ZINC001317200649 933551559 /nfs/dbraw/zinc/55/15/59/933551559.db2.gz LDTROYLTAVXNIZ-NVXWUHKLSA-N 1 1 290.451 3.280 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCCC ZINC001317199009 933552019 /nfs/dbraw/zinc/55/20/19/933552019.db2.gz OXNLWJBPQJTCDM-SJORKVTESA-N 1 1 290.451 3.045 20 30 CGEDMO CC(C)CC[N@@H+](C)[C@H]1CCCN(C(=O)C#CC(C)(C)C)C1 ZINC001317372769 933579994 /nfs/dbraw/zinc/57/99/94/933579994.db2.gz DDBWRTMVNKQZRA-INIZCTEOSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)CCCF)C1 ZINC001317378357 933582765 /nfs/dbraw/zinc/58/27/65/933582765.db2.gz HZDPZSMBFWUDTJ-LSDHHAIUSA-N 1 1 284.419 3.014 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1CCCNC(=O)/C=C(/C)CC ZINC001317422290 933591043 /nfs/dbraw/zinc/59/10/43/933591043.db2.gz SBBMZXJZLXCNBS-HVCHUGMYSA-N 1 1 298.858 3.456 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)CCCCC ZINC001317515054 933609702 /nfs/dbraw/zinc/60/97/02/933609702.db2.gz FBLVNJPQWOUOLS-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@H+](CCNC(=O)/C=C/C(C)(C)C)C1CC1 ZINC001317549147 933617498 /nfs/dbraw/zinc/61/74/98/933617498.db2.gz LKUUYFXZQMYDAI-ZHACJKMWSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)[C@@H]1CCCC[C@@H]1CC)C1CC1 ZINC001317559372 933619968 /nfs/dbraw/zinc/61/99/68/933619968.db2.gz WGKXZFLMLUILHP-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)[C@@H]1CCC[C@H](F)C1)C(C)C ZINC001317685995 933632835 /nfs/dbraw/zinc/63/28/35/933632835.db2.gz GZMJLIKANFZALV-CVEARBPZSA-N 1 1 298.446 3.308 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)C2(F)CCCC2)C1 ZINC001317761384 933645175 /nfs/dbraw/zinc/64/51/75/933645175.db2.gz LDFAJWUEOKZHLJ-OAHLLOKOSA-N 1 1 296.430 3.158 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](CCNC(=O)/C(C)=C\CC)C1 ZINC001317778675 933650320 /nfs/dbraw/zinc/65/03/20/933650320.db2.gz LHTLUIFZWITCKM-YMDFIQGPSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)C(C)(C)CC)C1 ZINC001317796529 933652422 /nfs/dbraw/zinc/65/24/22/933652422.db2.gz AEQSHYRTBYJSLA-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H](C)C2CCCC2)C1 ZINC001317808702 933654533 /nfs/dbraw/zinc/65/45/33/933654533.db2.gz GWNIXPXULKEDCF-HOTGVXAUSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001317864448 933661156 /nfs/dbraw/zinc/66/11/56/933661156.db2.gz USPVGRDSZCYJSX-WMZOPIPTSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC001317879903 933661594 /nfs/dbraw/zinc/66/15/94/933661594.db2.gz MGHZCFHZNQSMQH-IAGOWNOFSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](CC)CCCC)C1 ZINC001317924454 933665895 /nfs/dbraw/zinc/66/58/95/933665895.db2.gz UDIUHPIDBKACCC-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](CC/C=C\CC)C2)C1 ZINC001317944823 933666987 /nfs/dbraw/zinc/66/69/87/933666987.db2.gz RRQGMZLAFQXKAK-OGZRUICASA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCCCCC ZINC001318209816 933697153 /nfs/dbraw/zinc/69/71/53/933697153.db2.gz QCUILIFUGHXIQY-HOTGVXAUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)/C=C\C(C)(C)C)C1 ZINC001318320565 933708525 /nfs/dbraw/zinc/70/85/25/933708525.db2.gz GYXKZODKHQVVMR-UBGRJXSISA-N 1 1 278.440 3.134 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](NC(=O)CC2CCC2)C1 ZINC001318320536 933709575 /nfs/dbraw/zinc/70/95/75/933709575.db2.gz FZUUJDJTEHWDRO-MRXNPFEDSA-N 1 1 280.456 3.338 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)C(CC)CC)C1 ZINC001318411422 933721407 /nfs/dbraw/zinc/72/14/07/933721407.db2.gz DFSBCBFFOZZPPL-GOEBONIOSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)C(C)(C)CC(=O)OC)cc1 ZINC001319707416 933919801 /nfs/dbraw/zinc/91/98/01/933919801.db2.gz QLUIDAUEZDUIGU-UHFFFAOYSA-N 1 1 291.391 3.025 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)NCC[N@H+](C)C1CCCC1 ZINC001468698233 937731044 /nfs/dbraw/zinc/73/10/44/937731044.db2.gz MOIUTICVKHNKRW-UHFFFAOYSA-N 1 1 295.471 3.152 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC001320160832 934011212 /nfs/dbraw/zinc/01/12/12/934011212.db2.gz RWTPYJCJGSDIRC-UKRRQHHQSA-N 1 1 290.363 3.241 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccc(C)cc2Cl)C1 ZINC001321007645 934134811 /nfs/dbraw/zinc/13/48/11/934134811.db2.gz JUWFSWYQXRMJSN-AWEZNQCLSA-N 1 1 265.784 3.425 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001321515927 934192394 /nfs/dbraw/zinc/19/23/94/934192394.db2.gz SRLPFRYYGYHWRY-GVDBMIGSSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@@H](C)CCC)C2)C1 ZINC001323804124 934427844 /nfs/dbraw/zinc/42/78/44/934427844.db2.gz RWPFWHOUTCKSCB-WMZOPIPTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C)CCC)C2)C1 ZINC001323800822 934427926 /nfs/dbraw/zinc/42/79/26/934427926.db2.gz BQNGGQAXFJZKBU-FUHWJXTLSA-N 1 1 292.467 3.313 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCCCNc1cccc(CC#N)n1 ZINC001324085194 934458239 /nfs/dbraw/zinc/45/82/39/934458239.db2.gz LWXILYGQNDQNIE-HNNXBMFYSA-N 1 1 286.423 3.214 20 30 CGEDMO C=C[C@@H](COC)[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC001324554301 934523921 /nfs/dbraw/zinc/52/39/21/934523921.db2.gz JCXOZVFTZXKVBE-LBPRGKRZSA-N 1 1 290.388 3.116 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](CC)CC2CCCC2)C1 ZINC001324656967 934542290 /nfs/dbraw/zinc/54/22/90/934542290.db2.gz OXYQPKAUNBYVRE-SJLPKXTDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[C@H]1CCCN(c2[nH+]cnc3[nH]cc(CC)c32)C1 ZINC001472827496 937785962 /nfs/dbraw/zinc/78/59/62/937785962.db2.gz QZRCEEZONXAAAJ-LBPRGKRZSA-N 1 1 270.380 3.313 20 30 CGEDMO Cc1cc(F)c(C#N)c(NC[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC001472848562 937786633 /nfs/dbraw/zinc/78/66/33/937786633.db2.gz NYXQBWYOLARUJU-CQSZACIVSA-N 1 1 287.382 3.435 20 30 CGEDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001473180610 937795960 /nfs/dbraw/zinc/79/59/60/937795960.db2.gz ZAGWHTHLXHXOFZ-JCGIZDLHSA-N 1 1 286.419 3.492 20 30 CGEDMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001473245667 937799072 /nfs/dbraw/zinc/79/90/72/937799072.db2.gz VUFQCDRHKFVZAG-BMGDILEWSA-N 1 1 286.419 3.492 20 30 CGEDMO C=C(C)C[N@@H+]1CCN(c2cccc(Cl)c2)C[C@H]1C ZINC001473493732 937808963 /nfs/dbraw/zinc/80/89/63/937808963.db2.gz IJHWQVZQTJBYTB-CYBMUJFWSA-N 1 1 264.800 3.427 20 30 CGEDMO C#CC[N@H+](CC1CC1)[C@H](C)c1nc(-c2ccccc2)no1 ZINC001325222894 934895939 /nfs/dbraw/zinc/89/59/39/934895939.db2.gz TZQOZZNOZHAZKC-CYBMUJFWSA-N 1 1 281.359 3.143 20 30 CGEDMO C#CC[N@@H+](CC1CC1)[C@H](C)c1nc(-c2ccccc2)no1 ZINC001325222894 934895944 /nfs/dbraw/zinc/89/59/44/934895944.db2.gz TZQOZZNOZHAZKC-CYBMUJFWSA-N 1 1 281.359 3.143 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cc(-c3cccs3)on2)C1 ZINC001325224539 934897332 /nfs/dbraw/zinc/89/73/32/934897332.db2.gz ZMJYIVZITCAAIO-ZDUSSCGKSA-N 1 1 290.388 3.180 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2cc(-c3cccs3)on2)C1 ZINC001325224539 934897338 /nfs/dbraw/zinc/89/73/38/934897338.db2.gz ZMJYIVZITCAAIO-ZDUSSCGKSA-N 1 1 290.388 3.180 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001473580898 937812394 /nfs/dbraw/zinc/81/23/94/937812394.db2.gz ASNDFQGJUNKSKN-MRXNPFEDSA-N 1 1 270.420 3.296 20 30 CGEDMO CC[N@@H+]1[C@H](C)CN(Cc2ccc(C#N)cc2Cl)C[C@@H]1C ZINC001473599508 937813102 /nfs/dbraw/zinc/81/31/02/937813102.db2.gz OGFNCWYDVFYHJH-BETUJISGSA-N 1 1 291.826 3.126 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC(C)(C)CC ZINC001325897854 934938517 /nfs/dbraw/zinc/93/85/17/934938517.db2.gz GTSXBAZRNIVMJF-CVEARBPZSA-N 1 1 292.467 3.454 20 30 CGEDMO C#CCCCCCC[N@H+](C)CC(=O)N(C)C1CCCCC1 ZINC001473635989 937814568 /nfs/dbraw/zinc/81/45/68/937814568.db2.gz ZELZFXNYJRGGKI-UHFFFAOYSA-N 1 1 292.467 3.293 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](C[C@H]2Cc3cc(OC)ccc3O2)C1 ZINC001473627477 937814606 /nfs/dbraw/zinc/81/46/06/937814606.db2.gz LAHCWADJZHQZGO-WMLDXEAASA-N 1 1 287.403 3.287 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccccc1CNC(=O)C1(C)CC1 ZINC001326449947 934981325 /nfs/dbraw/zinc/98/13/25/934981325.db2.gz TWLONZCMFNIHLC-UHFFFAOYSA-N 1 1 286.419 3.111 20 30 CGEDMO C=CCCC[N@H+](C)CCCN(C)C(=O)/C=C\C(C)(C)C ZINC001327189705 935042909 /nfs/dbraw/zinc/04/29/09/935042909.db2.gz SVJDRRPPNHRLKP-QXMHVHEDSA-N 1 1 280.456 3.335 20 30 CGEDMO C=C(C)CCC(=O)N(C)CCC[N@@H+](C)Cc1ccsc1 ZINC001327213236 935044389 /nfs/dbraw/zinc/04/43/89/935044389.db2.gz PFDHISYUBHLMTR-UHFFFAOYSA-N 1 1 294.464 3.385 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC001327838605 935088056 /nfs/dbraw/zinc/08/80/56/935088056.db2.gz APXOEZOYMZJKCK-LPHOPBHVSA-N 1 1 299.414 3.090 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](C[C@H](C)c2cc(F)cc(F)c2)C1 ZINC001327946373 935101120 /nfs/dbraw/zinc/10/11/20/935101120.db2.gz OWOQAEAEYRIIQO-LRDDRELGSA-N 1 1 281.346 3.345 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC001328109039 935118316 /nfs/dbraw/zinc/11/83/16/935118316.db2.gz WQRDKKHSXDZQCJ-XFHJGTJQSA-N 1 1 286.419 3.043 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC(=C)C)[C@@H](C)C1 ZINC001328281687 935128123 /nfs/dbraw/zinc/12/81/23/935128123.db2.gz XGLZLCJDTPWFHK-LSDHHAIUSA-N 1 1 278.440 3.134 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](NC(=O)CCCCCC(C)C)C[C@@H]1C ZINC001328279512 935128193 /nfs/dbraw/zinc/12/81/93/935128193.db2.gz OQZQZWDFIKNLFG-IRXDYDNUSA-N 1 1 292.467 3.195 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C1C(C)(C)C1(C)C ZINC001328720097 935163273 /nfs/dbraw/zinc/16/32/73/935163273.db2.gz UJMFSSVDTGXSCE-AWEZNQCLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)Cc1cccs1 ZINC001329373461 935209549 /nfs/dbraw/zinc/20/95/49/935209549.db2.gz SPFQWPBLHOCJFH-ZIAGYGMSSA-N 1 1 294.464 3.082 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)c1ccoc1CC ZINC001329428820 935215273 /nfs/dbraw/zinc/21/52/73/935215273.db2.gz QZHYGCZQJAKRME-ZIAGYGMSSA-N 1 1 292.423 3.247 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)CNC(=O)c1ccc(C2CCC2)cc1 ZINC001329459778 935218255 /nfs/dbraw/zinc/21/82/55/935218255.db2.gz LWRKBLNZNJNNFT-CQSZACIVSA-N 1 1 286.419 3.190 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)CCC(C)(C)C ZINC001329593241 935230847 /nfs/dbraw/zinc/23/08/47/935230847.db2.gz YWWCBLSMQIVOBH-CABCVRRESA-N 1 1 282.472 3.461 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)CC=C ZINC001329935321 935254541 /nfs/dbraw/zinc/25/45/41/935254541.db2.gz BGTRKMAKXBNUKI-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO CCCCCC[N@H+]1C[C@H](NC(=O)C#CC(C)C)C(C)(C)C1 ZINC001330195306 935275544 /nfs/dbraw/zinc/27/55/44/935275544.db2.gz YMOLDLRYWHWPEO-INIZCTEOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@H]1C[N@@H+](CCC(C)C)CC1(C)C ZINC001330229472 935278885 /nfs/dbraw/zinc/27/88/85/935278885.db2.gz GBMHJJNPFBVKEJ-HOTGVXAUSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC1(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)CCCCC1 ZINC001330505968 935290703 /nfs/dbraw/zinc/29/07/03/935290703.db2.gz VOAUQGCJNSHNEJ-INIZCTEOSA-N 1 1 290.451 3.210 20 30 CGEDMO CCOc1ccc2c(c1)C[N@H+](C[C@@H](C)CCC#N)CC2 ZINC001331041132 935344327 /nfs/dbraw/zinc/34/43/27/935344327.db2.gz QDPATIIAUWDMHQ-AWEZNQCLSA-N 1 1 272.392 3.383 20 30 CGEDMO C=CCCCC(=O)N[C@]12CCC[C@H]1[N@@H+](C/C=C\Cl)CC2 ZINC001332111783 935441168 /nfs/dbraw/zinc/44/11/68/935441168.db2.gz NTQAEGYVBLTZLI-FIIKCPDTSA-N 1 1 296.842 3.208 20 30 CGEDMO C[C@H](CC[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccccc1 ZINC001332718772 935484296 /nfs/dbraw/zinc/48/42/96/935484296.db2.gz UMLQOMJKXHQQSN-ZACQAIPSSA-N 1 1 285.435 3.098 20 30 CGEDMO Cc1nc2c(o1)CCC[C@@H]2[NH2+]Cc1cccc(OCC#N)c1 ZINC001332866538 935493434 /nfs/dbraw/zinc/49/34/34/935493434.db2.gz SCNPCNVHOPTEMG-HNNXBMFYSA-N 1 1 297.358 3.053 20 30 CGEDMO C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)CC2CCC2)CC1 ZINC001332983944 935501895 /nfs/dbraw/zinc/50/18/95/935501895.db2.gz DKHWYYMVJRNRGK-ZDUSSCGKSA-N 1 1 298.858 3.146 20 30 CGEDMO N#CC[C@@H](O)C[NH2+]C1(c2c(Cl)cccc2Cl)CCC1 ZINC001333039174 935506241 /nfs/dbraw/zinc/50/62/41/935506241.db2.gz XNERHYDJCJAFMN-SNVBAGLBSA-N 1 1 299.201 3.237 20 30 CGEDMO COc1ccc(C[C@H](C)[N@@H+](C)Cc2cncc(C#N)c2)cc1 ZINC001333075022 935509000 /nfs/dbraw/zinc/50/90/00/935509000.db2.gz SKXQNYOQDJGVLO-AWEZNQCLSA-N 1 1 295.386 3.025 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CNC(=O)[C@H](C)C(C)(C)C)CC1 ZINC001333364049 935529029 /nfs/dbraw/zinc/52/90/29/935529029.db2.gz CRZCQHSGWPAJMZ-HNNXBMFYSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCCC[C@H]([NH2+]Cc1nnc(C)n1C)c1ccccc1 ZINC001333563030 935546733 /nfs/dbraw/zinc/54/67/33/935546733.db2.gz QVISHUCRCDFYOY-INIZCTEOSA-N 1 1 284.407 3.311 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2c(C)cnn2COC)CCCC1(C)C ZINC001333763698 936063675 /nfs/dbraw/zinc/06/36/75/936063675.db2.gz XNMFDMMPFFADJV-MRXNPFEDSA-N 1 1 291.439 3.362 20 30 CGEDMO CC(C)(C)[C@@H]1CC[N@@H+](CC2CCC(C#N)CC2)C[C@H]1O ZINC001333911205 936075210 /nfs/dbraw/zinc/07/52/10/936075210.db2.gz HJOWKRVRDCXDHE-QDIHITRGSA-N 1 1 278.440 3.045 20 30 CGEDMO C=CCC1(NC(=O)C[N@@H+](C)Cc2ccccc2)CCCC1 ZINC001334566979 936105551 /nfs/dbraw/zinc/10/55/51/936105551.db2.gz TZGZBEBSSWHYDB-UHFFFAOYSA-N 1 1 286.419 3.124 20 30 CGEDMO C=CCC1(NC(=O)C[N@H+](C)Cc2ccccc2)CCCC1 ZINC001334566979 936105553 /nfs/dbraw/zinc/10/55/53/936105553.db2.gz TZGZBEBSSWHYDB-UHFFFAOYSA-N 1 1 286.419 3.124 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N2CCC[N@H+]3CCC[C@H]3C2)c1 ZINC001335264101 936135641 /nfs/dbraw/zinc/13/56/41/936135641.db2.gz WBXYGUARYLGQLD-KRWDZBQOSA-N 1 1 299.418 3.422 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC001335919943 936167364 /nfs/dbraw/zinc/16/73/64/936167364.db2.gz KTPGIJDZLFEBSY-NVXWUHKLSA-N 1 1 286.419 3.122 20 30 CGEDMO C#CCOCC[N@H+](C)[C@H](C)CCSc1ccccc1 ZINC001336065914 936174190 /nfs/dbraw/zinc/17/41/90/936174190.db2.gz BCRGIZCMLBWYMA-OAHLLOKOSA-N 1 1 277.433 3.139 20 30 CGEDMO C=C(C)CCC(=O)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC001336806328 936218588 /nfs/dbraw/zinc/21/85/88/936218588.db2.gz OQBYOCHUBWOMRW-MRXNPFEDSA-N 1 1 284.403 3.354 20 30 CGEDMO C=CCn1cnn(C[N@H+]2CCC[C@@H]2CC(C)C)c1=S ZINC001338103266 936306168 /nfs/dbraw/zinc/30/61/68/936306168.db2.gz GVBKHGMQENAVEL-CYBMUJFWSA-N 1 1 280.441 3.068 20 30 CGEDMO C=CCn1cnn(C[N@@H+]2CCC[C@@H]2CC(C)C)c1=S ZINC001338103266 936306172 /nfs/dbraw/zinc/30/61/72/936306172.db2.gz GVBKHGMQENAVEL-CYBMUJFWSA-N 1 1 280.441 3.068 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001473772691 937821119 /nfs/dbraw/zinc/82/11/19/937821119.db2.gz CCPKAOQEDYSFOC-BBRMVZONSA-N 1 1 261.340 3.081 20 30 CGEDMO C#CCCCCCC[N@H+]1C[C@H](CC)[C@@](F)(C(=O)OCC)C1 ZINC001473785348 937821919 /nfs/dbraw/zinc/82/19/19/937821919.db2.gz AGIWZQQKZVQXRN-DOTOQJQBSA-N 1 1 297.414 3.183 20 30 CGEDMO C=CCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001473852201 937825042 /nfs/dbraw/zinc/82/50/42/937825042.db2.gz NGGJDNGJISAOQG-ZIAGYGMSSA-N 1 1 282.428 3.188 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1CCCCC(=O)OCC ZINC001473853841 937825249 /nfs/dbraw/zinc/82/52/49/937825249.db2.gz BMOHWELNEATYBI-CQSZACIVSA-N 1 1 253.386 3.150 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](N2CCCC2)C[C@@H]1C(C)C ZINC001473877621 937826723 /nfs/dbraw/zinc/82/67/23/937826723.db2.gz WCBHEWLSLLSKFE-HZPDHXFCSA-N 1 1 250.430 3.147 20 30 CGEDMO C#CC[N@H+](C[C@](C)(CC)OC)[C@H]1CCc2ccccc21 ZINC001474388105 937856482 /nfs/dbraw/zinc/85/64/82/937856482.db2.gz WTJPSHKWWRQFEP-ROUUACIJSA-N 1 1 271.404 3.424 20 30 CGEDMO C=CCC[C@H]([NH2+][C@@H]1CCc2ccccc2C1)C(=O)OCC ZINC001474528643 937864945 /nfs/dbraw/zinc/86/49/45/937864945.db2.gz SHCQMIQRGCREBP-SJORKVTESA-N 1 1 287.403 3.031 20 30 CGEDMO C=C(C)CCC(=O)N1CCCC[C@H]1C[N@H+](C)CC[C@H](C)F ZINC001479734646 937924055 /nfs/dbraw/zinc/92/40/55/937924055.db2.gz HZJHFYCCFUZWNX-HOTGVXAUSA-N 1 1 298.446 3.404 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@@H+](CCC(C)C)[C@@H]1C ZINC001479716612 937924167 /nfs/dbraw/zinc/92/41/67/937924167.db2.gz LCFITQONBPBGRQ-OAGGEKHMSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)C2CC=CC2)[C@H]1C ZINC001479701727 937924366 /nfs/dbraw/zinc/92/43/66/937924366.db2.gz NPKSZUFEFRFCER-WBVHZDCISA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@H+](CC/C=C\CC)[C@@H]1C ZINC001479716800 937924396 /nfs/dbraw/zinc/92/43/96/937924396.db2.gz DBGGHZFOLGOICQ-ICFKLAHKSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)CC(C)(C)C ZINC001479732815 937924637 /nfs/dbraw/zinc/92/46/37/937924637.db2.gz XINOQRVPBDLFEW-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)c1sccc1C ZINC001479832960 937926905 /nfs/dbraw/zinc/92/69/05/937926905.db2.gz YMXDBGRMDMSUCT-UHFFFAOYSA-N 1 1 280.437 3.074 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](F)C(C)C)C1 ZINC001479908040 937928870 /nfs/dbraw/zinc/92/88/70/937928870.db2.gz CKGFKEMQUMRHTO-HOTGVXAUSA-N 1 1 298.446 3.308 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)C2CC(C)(C)C2)C1 ZINC001480076092 937931667 /nfs/dbraw/zinc/93/16/67/937931667.db2.gz PBIUSCRFGSIBMK-HNNXBMFYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H](C[N@H+](C)C[C@H](F)CC)C1 ZINC001480085417 937932249 /nfs/dbraw/zinc/93/22/49/937932249.db2.gz RBJCDYRULUHGKU-JKSUJKDBSA-N 1 1 298.446 3.261 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)CCCC ZINC001480089620 937932278 /nfs/dbraw/zinc/93/22/78/937932278.db2.gz DJCQEWPHGQWBOR-ZACQAIPSSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)CCCC ZINC001480089620 937932279 /nfs/dbraw/zinc/93/22/79/937932279.db2.gz DJCQEWPHGQWBOR-ZACQAIPSSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)CC(C)C ZINC001480102493 937932281 /nfs/dbraw/zinc/93/22/81/937932281.db2.gz HRKRVPZBJARXCJ-ZACQAIPSSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCCCCC)C1 ZINC001480189712 937933996 /nfs/dbraw/zinc/93/39/96/937933996.db2.gz QZEGONGDKBAQOI-IRXDYDNUSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)C2(C)CCCC2)C1 ZINC001480258559 937934841 /nfs/dbraw/zinc/93/48/41/937934841.db2.gz UHJMYXHPNSNNQF-CQSZACIVSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)C2(C)CCCC2)C1 ZINC001480258559 937934842 /nfs/dbraw/zinc/93/48/42/937934842.db2.gz UHJMYXHPNSNNQF-CQSZACIVSA-N 1 1 298.858 3.147 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)C(C)C)C1 ZINC001480266782 937935312 /nfs/dbraw/zinc/93/53/12/937935312.db2.gz YMINHCGVRHIJCK-HZPDHXFCSA-N 1 1 280.456 3.073 20 30 CGEDMO CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H](CC)C(C)C ZINC001480333991 937936706 /nfs/dbraw/zinc/93/67/06/937936706.db2.gz YXXQVRPAAKMREW-DLBZAZTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C=C)c1ccccc1 ZINC001480332998 937936881 /nfs/dbraw/zinc/93/68/81/937936881.db2.gz VWAURDFFSBSVCD-MSOLQXFVSA-N 1 1 298.430 3.113 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)C2CCCCCC2)C1 ZINC001480719855 937942578 /nfs/dbraw/zinc/94/25/78/937942578.db2.gz KLHWYGDHDFIRFQ-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001493034732 937947008 /nfs/dbraw/zinc/94/70/08/937947008.db2.gz KUNOBSJGVQYWIP-QAQDUYKDSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)/C=C/C(C)(C)C ZINC001493087109 937947313 /nfs/dbraw/zinc/94/73/13/937947313.db2.gz ORMSGMFKLZXAPY-NKSUMMKUSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)C1(C)CCCCC1 ZINC001493133839 937947756 /nfs/dbraw/zinc/94/77/56/937947756.db2.gz UOXUMFSVXYMMAY-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](CNC(=O)CC(C)=C(C)C)C1 ZINC001493224896 937948691 /nfs/dbraw/zinc/94/86/91/937948691.db2.gz BQLZCWDNQWCLHM-MRXNPFEDSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)c1cscc1Cl ZINC001493296614 937949094 /nfs/dbraw/zinc/94/90/94/937949094.db2.gz LZQZNRSKDRIEOM-UHFFFAOYSA-N 1 1 286.828 3.029 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)c1ccc(Cl)s1 ZINC001493341634 937949431 /nfs/dbraw/zinc/94/94/31/937949431.db2.gz IDJIFNBZGIXEBZ-UHFFFAOYSA-N 1 1 286.828 3.029 20 30 CGEDMO C=C(Cl)C[N@H+](CCCNC(=O)[C@H](C)C(C)C)C(C)C ZINC001493870621 937951602 /nfs/dbraw/zinc/95/16/02/937951602.db2.gz ABUOSDSZLWCPAI-CQSZACIVSA-N 1 1 288.863 3.248 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)[C@@H](C)C(C)(F)F)C(C)C ZINC001493869997 937951605 /nfs/dbraw/zinc/95/16/05/937951605.db2.gz QDKCHBAEMCWLTM-CYBMUJFWSA-N 1 1 290.398 3.071 20 30 CGEDMO C=CC(C)(C)CC(=O)NCC[C@H]1CC[N@H+](CC=C(C)C)C1 ZINC001494018636 937952971 /nfs/dbraw/zinc/95/29/71/937952971.db2.gz OOJQKYFDFAWXPG-INIZCTEOSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@](C)(CC)CCC)C1 ZINC001494165595 937953601 /nfs/dbraw/zinc/95/36/01/937953601.db2.gz FMOIUPVIVQVINP-DOTOQJQBSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@](C)(C=C)CC)C1 ZINC001494161768 937953739 /nfs/dbraw/zinc/95/37/39/937953739.db2.gz VCIOGEAYOHDBHO-SJLPKXTDSA-N 1 1 292.467 3.335 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC2(C)C)C1 ZINC001494155428 937953799 /nfs/dbraw/zinc/95/37/99/937953799.db2.gz SSXSUCWJWKDAFP-CVEARBPZSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CCC[N@@H+](C/C=C\Cl)C1 ZINC001494320101 937954452 /nfs/dbraw/zinc/95/44/52/937954452.db2.gz GTNXHNDEHHKKRF-MLBQELRYSA-N 1 1 296.842 3.088 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CCC[N@H+](C/C=C\Cl)C1 ZINC001494320101 937954453 /nfs/dbraw/zinc/95/44/53/937954453.db2.gz GTNXHNDEHHKKRF-MLBQELRYSA-N 1 1 296.842 3.088 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)CC2(C)CCCC2)C1 ZINC001494818201 937956469 /nfs/dbraw/zinc/95/64/69/937956469.db2.gz COHRHWNQDPKKOJ-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC(CC=C)C(=O)N(CC)[C@H]1CC[N@H+](C(C)C)C1 ZINC001494902222 937957199 /nfs/dbraw/zinc/95/71/99/937957199.db2.gz ZTOWQEOBCXRFMU-INIZCTEOSA-N 1 1 278.440 3.086 20 30 CGEDMO C#CCC[N@H+](C)C[C@@H](C)NC(=O)C1(CC(C)C)CCCC1 ZINC001498409451 937969422 /nfs/dbraw/zinc/96/94/22/937969422.db2.gz REKGSTPKURGZPJ-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)c1ccccc1C ZINC001498944696 937971515 /nfs/dbraw/zinc/97/15/15/937971515.db2.gz QBUSPMDOHSVTGI-JKSUJKDBSA-N 1 1 286.419 3.213 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)CC=C ZINC001499072276 937972341 /nfs/dbraw/zinc/97/23/41/937972341.db2.gz NIWJMLMUVFGVTD-HUUCEWRRSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CC[N@@H+]2CC[C@H](C)F)CCCC1 ZINC001499139394 937972811 /nfs/dbraw/zinc/97/28/11/937972811.db2.gz XCHQLNMKCOQSPJ-LSDHHAIUSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCF ZINC001499511281 937973732 /nfs/dbraw/zinc/97/37/32/937973732.db2.gz OTZVRNCAHVYMGG-OAGGEKHMSA-N 1 1 296.430 3.156 20 30 CGEDMO C=CC[N@H+](CCNC(=O)[C@H](C)SC)C1CCCCCC1 ZINC001499518093 937973749 /nfs/dbraw/zinc/97/37/49/937973749.db2.gz VLCJZSNKUQNFHX-AWEZNQCLSA-N 1 1 298.496 3.065 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C)CCCC)C2)C1 ZINC001499603820 937974074 /nfs/dbraw/zinc/97/40/74/937974074.db2.gz PXFPUOBRLJQADX-AEFFLSMTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)CSC(C)C)C1 ZINC001500182708 937976084 /nfs/dbraw/zinc/97/60/84/937976084.db2.gz LUZBSOANWUTFDW-GDBMZVCRSA-N 1 1 298.496 3.063 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](C)CCC)C1 ZINC001500485251 937977474 /nfs/dbraw/zinc/97/74/74/937977474.db2.gz JMMBUUIDDHALLU-DOTOQJQBSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](C)C(C)C)C1 ZINC001500529524 937977996 /nfs/dbraw/zinc/97/79/96/937977996.db2.gz HJYOHTIQLIGLAX-WBVHZDCISA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC(C)(C)CC ZINC001501386660 937979515 /nfs/dbraw/zinc/97/95/15/937979515.db2.gz LYLHCYFEZGSKRZ-CVEARBPZSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)CCC)CC1 ZINC001502116770 937981299 /nfs/dbraw/zinc/98/12/99/937981299.db2.gz OMFPSXCTGKXSIM-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)CCC(C)C)CC1 ZINC001502107857 937981309 /nfs/dbraw/zinc/98/13/09/937981309.db2.gz SZFKEASBIOCFAM-INIZCTEOSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CCCCCCCC)CC1 ZINC001502145644 937981582 /nfs/dbraw/zinc/98/15/82/937981582.db2.gz VQESNNXSKVQXLQ-QGZVFWFLSA-N 1 1 292.467 3.341 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)c1ccc(C)cc1F ZINC001502377193 937982124 /nfs/dbraw/zinc/98/21/24/937982124.db2.gz IPZDMKLWHMMOJU-UHFFFAOYSA-N 1 1 292.398 3.104 20 30 CGEDMO CC#CC[N@@H+](C)CCCN(C)C(=O)CC1CCCCCC1 ZINC001502379138 937982293 /nfs/dbraw/zinc/98/22/93/937982293.db2.gz WIKLTOIUUWIIRA-UHFFFAOYSA-N 1 1 292.467 3.151 20 30 CGEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)CC3CCCC3)cc2C1 ZINC001502647102 937982713 /nfs/dbraw/zinc/98/27/13/937982713.db2.gz GGBHYAWLERNPON-UHFFFAOYSA-N 1 1 298.430 3.385 20 30 CGEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)CC3CCCC3)cc2C1 ZINC001502647102 937982714 /nfs/dbraw/zinc/98/27/14/937982714.db2.gz GGBHYAWLERNPON-UHFFFAOYSA-N 1 1 298.430 3.385 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C)CCC ZINC001505424808 937985134 /nfs/dbraw/zinc/98/51/34/937985134.db2.gz VIZKMFBKSCPMHH-GXTWGEPZSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C)CCC ZINC001505424808 937985135 /nfs/dbraw/zinc/98/51/35/937985135.db2.gz VIZKMFBKSCPMHH-GXTWGEPZSA-N 1 1 286.847 3.098 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]1C[N@H+](C)CC[C@@H](C)F ZINC001505444023 937985408 /nfs/dbraw/zinc/98/54/08/937985408.db2.gz VLLRGXMDOMGSPS-CABCVRRESA-N 1 1 284.419 3.014 20 30 CGEDMO CC#CCCCC(=O)N1CCC[C@H]1C[N@@H+](C)CC=C(C)C ZINC001505441792 937985587 /nfs/dbraw/zinc/98/55/87/937985587.db2.gz KQGWYNYWKKIWGT-KRWDZBQOSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CCCCC(=O)NC[C@@H](C)[N@@H+](C)CC1CCCCC1 ZINC001505990414 937988240 /nfs/dbraw/zinc/98/82/40/937988240.db2.gz DWMNNUMCPIBPFY-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)CCCc1ccccc1 ZINC001505993102 937988733 /nfs/dbraw/zinc/98/87/33/937988733.db2.gz OGTPOWJHFINBBW-MRXNPFEDSA-N 1 1 288.435 3.022 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)C1(C)CCC(C)CC1 ZINC001506067040 937989305 /nfs/dbraw/zinc/98/93/05/937989305.db2.gz HCAOCZLBZWKMJD-CKDBGZEDSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)/C(C)=C\CC)C2)C1 ZINC001506859674 937992288 /nfs/dbraw/zinc/99/22/88/937992288.db2.gz VUTKAYQHYJTPKU-MLPAPPSSSA-N 1 1 296.842 3.020 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)/C(C)=C\CC)C2)C1 ZINC001506859674 937992289 /nfs/dbraw/zinc/99/22/89/937992289.db2.gz VUTKAYQHYJTPKU-MLPAPPSSSA-N 1 1 296.842 3.020 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CCC[N@@H+](CCCF)[C@@H]2C)CCC1 ZINC001507386336 937995829 /nfs/dbraw/zinc/99/58/29/937995829.db2.gz UZOQQPRZBNJAGQ-CABCVRRESA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)c1occc1Cl)C(C)C ZINC001507831110 937997157 /nfs/dbraw/zinc/99/71/57/937997157.db2.gz BSYYVLVEHXQAQJ-UHFFFAOYSA-N 1 1 298.814 3.292 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC=C(CNC(=O)[C@H](C)C2CC2)CC1 ZINC001508199662 937998458 /nfs/dbraw/zinc/99/84/58/937998458.db2.gz IJYMDAABMKUOGE-HUUCEWRRSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC001525394789 938048944 /nfs/dbraw/zinc/04/89/44/938048944.db2.gz KCKTZUINVBEYSH-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO CCCCCCCC(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC001534447996 938096298 /nfs/dbraw/zinc/09/62/98/938096298.db2.gz GJWSBMKTQZLPLB-MRXNPFEDSA-N 1 1 280.456 3.480 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CC[C@@H](c2ccc(OC)cc2)C1 ZINC001559517348 938228320 /nfs/dbraw/zinc/22/83/20/938228320.db2.gz PCJYSUDISNDRSS-GDBMZVCRSA-N 1 1 257.377 3.286 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](CC2([C@@H]3CCCCO3)CCC2)C1 ZINC001559671351 938232493 /nfs/dbraw/zinc/23/24/93/938232493.db2.gz MSYBUEMIIODLOL-HOTGVXAUSA-N 1 1 276.424 3.351 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](CC2([C@@H]3CCCCO3)CCC2)C1 ZINC001559671353 938232608 /nfs/dbraw/zinc/23/26/08/938232608.db2.gz MSYBUEMIIODLOL-JKSUJKDBSA-N 1 1 276.424 3.351 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@H]1COC(=O)N1CCCCC1 ZINC001559814269 938236392 /nfs/dbraw/zinc/23/63/92/938236392.db2.gz VARSFIGPAMUCFC-HNNXBMFYSA-N 1 1 280.412 3.040 20 30 CGEDMO C[N@H+](CCc1cccc2c1OC(F)(F)O2)CC(C)(C)C#N ZINC001559860195 938237394 /nfs/dbraw/zinc/23/73/94/938237394.db2.gz VMVPFVQBTYSXGF-UHFFFAOYSA-N 1 1 296.317 3.032 20 30 CGEDMO C[N@@H+](CCc1cccc2c1OC(F)(F)O2)CC(C)(C)C#N ZINC001559860195 938237395 /nfs/dbraw/zinc/23/73/95/938237395.db2.gz VMVPFVQBTYSXGF-UHFFFAOYSA-N 1 1 296.317 3.032 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2nnc(-c3cccc(OC)c3)o2)C1 ZINC001560026859 938242180 /nfs/dbraw/zinc/24/21/80/938242180.db2.gz IVTHIUIRXPZGME-ZDUSSCGKSA-N 1 1 299.374 3.143 20 30 CGEDMO C=CCCCC[N@@H+]1CCO[C@@H](c2ccccc2OC)C1 ZINC001560075840 938243452 /nfs/dbraw/zinc/24/34/52/938243452.db2.gz OOZGMNFQGXJMJR-QGZVFWFLSA-N 1 1 275.392 3.425 20 30 CGEDMO C=CCCCC[N@H+]1CCO[C@@H](c2ccccc2OC)C1 ZINC001560075840 938243453 /nfs/dbraw/zinc/24/34/53/938243453.db2.gz OOZGMNFQGXJMJR-QGZVFWFLSA-N 1 1 275.392 3.425 20 30 CGEDMO N#Cc1cccc(OCCC[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)c1 ZINC001560076056 938243534 /nfs/dbraw/zinc/24/35/34/938243534.db2.gz UNVFUJOWGCEBMK-CALCHBBNSA-N 1 1 282.387 3.225 20 30 CGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)C(C)(C)C ZINC001560128769 938244704 /nfs/dbraw/zinc/24/47/04/938244704.db2.gz KOOVMRUCWVOSBE-CPUCHLNUSA-N 1 1 295.471 3.043 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1CCOCC(F)(F)C(F)F ZINC001560200096 938246860 /nfs/dbraw/zinc/24/68/60/938246860.db2.gz LZMHCLZNWIVDQX-NSHDSACASA-N 1 1 283.309 3.334 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC001560206591 938247034 /nfs/dbraw/zinc/24/70/34/938247034.db2.gz CCVKVTNVIJMBIW-LLVKDONJSA-N 1 1 266.728 3.399 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC001560206591 938247035 /nfs/dbraw/zinc/24/70/35/938247035.db2.gz CCVKVTNVIJMBIW-LLVKDONJSA-N 1 1 266.728 3.399 20 30 CGEDMO C#Cc1ccc(CNC[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC001560285637 938250943 /nfs/dbraw/zinc/25/09/43/938250943.db2.gz BQVSUDODFGNHLZ-LPHOPBHVSA-N 1 1 284.447 3.268 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2snc(OC)c2Cl)C1 ZINC001560947888 938285813 /nfs/dbraw/zinc/28/58/13/938285813.db2.gz KCPYJEHQKNPPPW-SECBINFHSA-N 1 1 272.801 3.203 20 30 CGEDMO C=CCCn1cc(C[N@H+]2CCC[C@@H](C3CCC3)CC2)nn1 ZINC001560980503 938287655 /nfs/dbraw/zinc/28/76/55/938287655.db2.gz SZXUZNFAROCWAN-MRXNPFEDSA-N 1 1 288.439 3.256 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C(C)C ZINC001490798928 957900922 /nfs/dbraw/zinc/90/09/22/957900922.db2.gz NWJFSAMPMYPUPQ-VQHPVUNQSA-N 1 1 292.467 3.308 20 30 CGEDMO C#CCC[N@@H+](CCC)CCNC(=O)C1(C)CCC(C)CC1 ZINC001567435719 960592448 /nfs/dbraw/zinc/59/24/48/960592448.db2.gz ZWRKQBPGQPZGRR-UHFFFAOYSA-N 1 1 292.467 3.054 20 30 CGEDMO C#CCCCC(=O)NC[C@@H]1CCC[N@@H+]1C[C@@H](C)CC(C)C ZINC001567363271 960596062 /nfs/dbraw/zinc/59/60/62/960596062.db2.gz QEAXTMXLXJJDLC-IRXDYDNUSA-N 1 1 292.467 3.053 20 30 CGEDMO CCCCCCCCNC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC001564373227 960642849 /nfs/dbraw/zinc/64/28/49/960642849.db2.gz QJEJYSRAQLPCCC-OAHLLOKOSA-N 1 1 283.460 3.083 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](C=C)c1ccccc1 ZINC001565835421 960841131 /nfs/dbraw/zinc/84/11/31/960841131.db2.gz MQAHJZFLDFZNJL-SJLPKXTDSA-N 1 1 298.430 3.065 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C[C@@H](CC)C(C)(C)C)[C@H]1C ZINC001566109240 960879371 /nfs/dbraw/zinc/87/93/71/960879371.db2.gz DVVYSORMWYRDMU-KFWWJZLASA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)C1(F)CCCC1 ZINC001566468566 960934417 /nfs/dbraw/zinc/93/44/17/960934417.db2.gz DYKZKGHRICWYOC-CQSZACIVSA-N 1 1 284.419 3.062 20 30 CGEDMO C=CC[N@@H+](C)CCCNC(=O)c1cc2ccccc2s1 ZINC001566471024 960945708 /nfs/dbraw/zinc/94/57/08/960945708.db2.gz JEVJQXYSYQNLPH-UHFFFAOYSA-N 1 1 288.416 3.139 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)C1CCC(C)(C)CC1)C1CC1 ZINC001566603971 960960445 /nfs/dbraw/zinc/96/04/45/960960445.db2.gz JYIZOBXHXPAXLE-UHFFFAOYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001566626493 960972014 /nfs/dbraw/zinc/97/20/14/960972014.db2.gz OKMQHHGLEVSPLC-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H](NC(=O)c2ccoc2)C1 ZINC001566618529 960975161 /nfs/dbraw/zinc/97/51/61/960975161.db2.gz YQFRSWHHWYHFCC-INIZCTEOSA-N 1 1 292.423 3.444 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CCC[N@H+](CC2CCC(C)CC2)C1 ZINC001566616825 960976451 /nfs/dbraw/zinc/97/64/51/960976451.db2.gz ODGRRWGEBJTBHM-OFLPRAFFSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](CC)CC2CCCC2)C1 ZINC001566630621 960980124 /nfs/dbraw/zinc/98/01/24/960980124.db2.gz SKQIQFDRXKUNDK-IAGOWNOFSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)/C(C)=C\C)CC1 ZINC001566696804 960982786 /nfs/dbraw/zinc/98/27/86/960982786.db2.gz CNDOVSKWVZYXMB-MLPAPPSSSA-N 1 1 298.858 3.408 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)C2CCCC2)C1 ZINC001566731657 960998197 /nfs/dbraw/zinc/99/81/97/960998197.db2.gz GYFTWSGBJUSCBN-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@](C)(CC)CCC)C1 ZINC001566745375 961002352 /nfs/dbraw/zinc/00/23/52/961002352.db2.gz LJLIZGAXHAEHLU-FUHWJXTLSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H](F)CC ZINC001566927710 961059650 /nfs/dbraw/zinc/05/96/50/961059650.db2.gz VCDVNBPUFGISPM-CABCVRRESA-N 1 1 298.446 3.308 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](CC)SC ZINC001566920491 961062064 /nfs/dbraw/zinc/06/20/64/961062064.db2.gz UOXJXMOWNQSGJG-CABCVRRESA-N 1 1 298.496 3.065 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@@H+]1CC(=C)C ZINC001566955348 961079415 /nfs/dbraw/zinc/07/94/15/961079415.db2.gz LJWNKTXZGHLXRU-IAGOWNOFSA-N 1 1 290.451 3.374 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CCCNC(=O)c1ccco1 ZINC001567243538 961154315 /nfs/dbraw/zinc/15/43/15/961154315.db2.gz LKRMOAFTBKOBNR-OAHLLOKOSA-N 1 1 290.407 3.220 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H]1CCCNC(=O)CC1CCC1 ZINC001567247703 961158718 /nfs/dbraw/zinc/15/87/18/961158718.db2.gz NXTLDHIGLHFBSZ-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@H+](C)CCNC(=O)c1ccc(C(C)(C)CC)cc1 ZINC001567286914 961259488 /nfs/dbraw/zinc/25/94/88/961259488.db2.gz BZRZDOKGETUDPU-UHFFFAOYSA-N 1 1 288.435 3.222 20 30 CGEDMO C=C(C)CCC(=O)NCC[N@H+](C)Cc1ccc(CC)cc1 ZINC001567284552 961260440 /nfs/dbraw/zinc/26/04/40/961260440.db2.gz MHRVGSJVERXQBH-UHFFFAOYSA-N 1 1 288.435 3.153 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)CC1CCC1 ZINC001567361912 961308140 /nfs/dbraw/zinc/30/81/40/961308140.db2.gz XSQSGINACYWXAO-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](CNC(=O)C(C)(C)C(=C)C)C1 ZINC001567406765 961318590 /nfs/dbraw/zinc/31/85/90/961318590.db2.gz WFUWWKRVOCNWID-JKSUJKDBSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](CNC(=O)/C=C/C(C)(C)C)C1 ZINC001567395412 961327638 /nfs/dbraw/zinc/32/76/38/961327638.db2.gz JEIIJNHWDQAXMS-XLMABTLZSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)c1cc(C)ccc1F ZINC001567434790 961332676 /nfs/dbraw/zinc/33/26/76/961332676.db2.gz OUIRPJKIUGEULN-UHFFFAOYSA-N 1 1 292.398 3.152 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)c1cccc2[nH]ccc21 ZINC001567429846 961344364 /nfs/dbraw/zinc/34/43/64/961344364.db2.gz DYOUIVAYLRCNGO-UHFFFAOYSA-N 1 1 299.418 3.186 20 30 CGEDMO C=CCCC(=O)N(CCC)[C@H]1CC[N@@H+](C[C@@H](C)CC)C1 ZINC001567682319 961390589 /nfs/dbraw/zinc/39/05/89/961390589.db2.gz ZAJGEXLWXUKNOD-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC[C@@H]1CC[N@H+](CC=C(C)C)C1 ZINC001567706510 961407050 /nfs/dbraw/zinc/40/70/50/961407050.db2.gz ZFSBAUNDWOEABK-MRXNPFEDSA-N 1 1 292.467 3.383 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)c2ccoc2CC)C1 ZINC001567791300 961424265 /nfs/dbraw/zinc/42/42/65/961424265.db2.gz IUVWNLAELNQNLI-UHFFFAOYSA-N 1 1 292.423 3.226 20 30 CGEDMO C=C(C)CCC(=O)NC1C[NH+](Cc2ccccc2C2CC2)C1 ZINC001567795057 961436691 /nfs/dbraw/zinc/43/66/91/961436691.db2.gz RYAHFJNOGZHYLO-UHFFFAOYSA-N 1 1 298.430 3.221 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)CCC ZINC001567853578 961444191 /nfs/dbraw/zinc/44/41/91/961444191.db2.gz BQJFUMDXRPKOQG-ULQDDVLXSA-N 1 1 292.467 3.454 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(CC)CC1 ZINC001567861076 961445161 /nfs/dbraw/zinc/44/51/61/961445161.db2.gz IQRFJBXGARMNIP-HOTGVXAUSA-N 1 1 292.467 3.432 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)C[C@H]1CC=CCC1 ZINC001569133883 961694581 /nfs/dbraw/zinc/69/45/81/961694581.db2.gz WXQZUKWEETWTSA-HOTGVXAUSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H](C)C(CC)CC)C1 ZINC001569643330 961815443 /nfs/dbraw/zinc/81/54/43/961815443.db2.gz WQGBEDUHKCWKMU-RHSMWYFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@]1(C)CCC[N@@H+](C/C=C\Cl)C1 ZINC001569720542 961843296 /nfs/dbraw/zinc/84/32/96/961843296.db2.gz QAQTXUYINIWXMO-GQSKFBFOSA-N 1 1 298.858 3.169 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC(=C)C ZINC001569913006 961873350 /nfs/dbraw/zinc/87/33/50/961873350.db2.gz MKICQTAWWOUSTE-BRWVUGGUSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@]2(CC[N@@H+](CC(=C)C)C2)C1 ZINC001570273470 961944224 /nfs/dbraw/zinc/94/42/24/961944224.db2.gz QSYZYPUBNXHZTM-SFHVURJKSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[N@H+](CC(=C)Cl)CC1(C)C ZINC001570395834 961960964 /nfs/dbraw/zinc/96/09/64/961960964.db2.gz RHKSTIQVJWRWES-CYBMUJFWSA-N 1 1 298.858 3.168 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC(=C)Cl)CC1(C)C ZINC001570395834 961960976 /nfs/dbraw/zinc/96/09/76/961960976.db2.gz RHKSTIQVJWRWES-CYBMUJFWSA-N 1 1 298.858 3.168 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CCCCCF)[C@@H](C)C1 ZINC001570439999 961969512 /nfs/dbraw/zinc/96/95/12/961969512.db2.gz HBANPJPWIQHOHZ-LSDHHAIUSA-N 1 1 298.446 3.308 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)CC(C)(C)C)C[C@H]1C ZINC001570449693 961971458 /nfs/dbraw/zinc/97/14/58/961971458.db2.gz TVRCDUWEQGVPCT-HUUCEWRRSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)C1CCC1 ZINC001570521703 961983302 /nfs/dbraw/zinc/98/33/02/961983302.db2.gz CBTHNUKGOPTYEB-GOEBONIOSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(C)=O)C2)C1 ZINC001570548725 962000527 /nfs/dbraw/zinc/00/05/27/962000527.db2.gz QBOPOENCVXFKPL-QZTJIDSGSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCCC(=O)NC[C@H](C)[N@@H+](C)Cc1csc(C)c1 ZINC001570732530 962057216 /nfs/dbraw/zinc/05/72/16/962057216.db2.gz VPJCQWPSAPHYIA-ZDUSSCGKSA-N 1 1 294.464 3.349 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)C1CCCC1 ZINC001570715447 962057605 /nfs/dbraw/zinc/05/76/05/962057605.db2.gz CXTKLFSAFUSDDC-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H](C)[N@H+](C)C[C@@H](C)CC(C)C)C1 ZINC001570734457 962062876 /nfs/dbraw/zinc/06/28/76/962062876.db2.gz UTIDRIDWWVWMNF-GOEBONIOSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)c1ccccc1 ZINC001570747148 962074341 /nfs/dbraw/zinc/07/43/41/962074341.db2.gz CKUVMPXJMOXCNE-JKSUJKDBSA-N 1 1 288.435 3.193 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)C12CCC(CC1)C2(C)C ZINC001570742887 962076667 /nfs/dbraw/zinc/07/66/67/962076667.db2.gz YHRZVTNLSFTGTQ-SYJJWHGVSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](CC)CCC ZINC001570827308 962092367 /nfs/dbraw/zinc/09/23/67/962092367.db2.gz OJSZUERMHLARQJ-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C1CC(C)C1 ZINC001570818227 962094396 /nfs/dbraw/zinc/09/43/96/962094396.db2.gz NZAWWWWMXLPCPV-OFLPRAFFSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H]1C[N@@H+](CCC2CC2)CC1(C)C ZINC001570902018 962108495 /nfs/dbraw/zinc/10/84/95/962108495.db2.gz KLKHOGOVSGDQOU-ZBFHGGJFSA-N 1 1 292.467 3.215 20 30 CGEDMO C#CC[N@H+](C)C1CCN(C(=O)C[C@H](C)CC(C)(C)C)CC1 ZINC001571334280 962134695 /nfs/dbraw/zinc/13/46/95/962134695.db2.gz SDHVEBCOUJYINM-HNNXBMFYSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C=C)[C@H]1C ZINC001571520120 962165631 /nfs/dbraw/zinc/16/56/31/962165631.db2.gz AXOGEOADXWOSII-CABCVRRESA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C(=O)c1ccc(C)o1)C(C)C ZINC001571609818 962187266 /nfs/dbraw/zinc/18/72/66/962187266.db2.gz URRAFCOLPXCVSF-UHFFFAOYSA-N 1 1 292.423 3.337 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)[C@H](C)c1ccco1)C(C)C ZINC001571614287 962191204 /nfs/dbraw/zinc/19/12/04/962191204.db2.gz BUKDATPSHAFKSY-OAHLLOKOSA-N 1 1 292.423 3.128 20 30 CGEDMO C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@H](C)CC)CC1 ZINC001571647070 962203423 /nfs/dbraw/zinc/20/34/23/962203423.db2.gz SFSDBDOIINLKQE-YPMHNXCESA-N 1 1 286.847 3.002 20 30 CGEDMO C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC001584398885 962919458 /nfs/dbraw/zinc/91/94/58/962919458.db2.gz SUYGZOZOIXHVRN-QLFBSQMISA-N 1 1 278.440 3.110 20 30 CGEDMO C=CC1(CC(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)CCCCC1 ZINC001587554290 963205900 /nfs/dbraw/zinc/20/59/00/963205900.db2.gz QIGQZVXFPHQXLS-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO Cc1c(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)cnn1C ZINC000350661300 219045354 /nfs/dbraw/zinc/04/53/54/219045354.db2.gz PKVORWKERCTELR-UHFFFAOYSA-N 1 1 296.418 3.258 20 30 CGEDMO Cc1cnc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)cn1 ZINC000589971080 346819410 /nfs/dbraw/zinc/81/94/10/346819410.db2.gz JGESERXZWVUMRW-CHWSQXEVSA-N 1 1 266.348 3.069 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000589984674 346820388 /nfs/dbraw/zinc/82/03/88/346820388.db2.gz ANCHFPCGGHCXFP-CYBMUJFWSA-N 1 1 270.307 3.280 20 30 CGEDMO C=CC[C@@H]1CC[C@@H]([NH2+]CCCN2CCCCC2)C1 ZINC000651669446 398266063 /nfs/dbraw/zinc/26/60/63/398266063.db2.gz VIJYQUDEGWQTQB-HZPDHXFCSA-N 1 1 250.430 3.197 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](c3ccccn3)C2)c1 ZINC000590600049 346853695 /nfs/dbraw/zinc/85/36/95/346853695.db2.gz JTRPUXFDJFWCFD-HNNXBMFYSA-N 1 1 295.361 3.472 20 30 CGEDMO COC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C)CC1 ZINC000590765552 346873069 /nfs/dbraw/zinc/87/30/69/346873069.db2.gz XLIPUTJACCHAFL-OAHLLOKOSA-N 1 1 272.392 3.115 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCO[C@@H](C3CCC3)C2)cc1 ZINC000591041809 346896777 /nfs/dbraw/zinc/89/67/77/346896777.db2.gz SRGIQZAZTLLOID-GOSISDBHSA-N 1 1 298.430 3.489 20 30 CGEDMO N#CC1(CCC[N@H+]2CC[C@@H](C3CCC3)C2)CCOCC1 ZINC000591063410 346898046 /nfs/dbraw/zinc/89/80/46/346898046.db2.gz YAKDRPQKPWRLHH-MRXNPFEDSA-N 1 1 276.424 3.209 20 30 CGEDMO C=CCCC[N@H+]1CCc2nccc(Br)c2C1 ZINC000623286431 349776022 /nfs/dbraw/zinc/77/60/22/349776022.db2.gz SBUOABLEURYYTP-UHFFFAOYSA-N 1 1 281.197 3.168 20 30 CGEDMO N#Cc1cnccc1C[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000592060519 346958333 /nfs/dbraw/zinc/95/83/33/346958333.db2.gz RVKAHYPQTXMKPB-GOSISDBHSA-N 1 1 295.361 3.299 20 30 CGEDMO CC[C@H]([NH2+]Cc1ccncc1C#N)c1ccc(OC)cc1 ZINC000592096988 346962543 /nfs/dbraw/zinc/96/25/43/346962543.db2.gz OCTVEKKAQGUENK-KRWDZBQOSA-N 1 1 281.359 3.203 20 30 CGEDMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1ccncc1C#N ZINC000592069853 346959168 /nfs/dbraw/zinc/95/91/68/346959168.db2.gz WQNRBSCGYDTVID-CJNGLKHVSA-N 1 1 295.361 3.470 20 30 CGEDMO Cc1cc(C)cc([C@H](C)[NH2+]Cc2ccncc2C#N)c1 ZINC000592105221 346963349 /nfs/dbraw/zinc/96/33/49/346963349.db2.gz OGFUGXHKIXDZRS-AWEZNQCLSA-N 1 1 265.360 3.421 20 30 CGEDMO CC[C@@H](C)[C@H]1CCCC[N@H+]1Cc1ccncc1C#N ZINC000592072542 346960552 /nfs/dbraw/zinc/96/05/52/346960552.db2.gz PQYIJRYFIZQRDJ-CZUORRHYSA-N 1 1 257.381 3.354 20 30 CGEDMO CCS[C@H]1CCCC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592070563 346960695 /nfs/dbraw/zinc/96/06/95/346960695.db2.gz MJAYCAJNTRHLRP-HNNXBMFYSA-N 1 1 275.421 3.061 20 30 CGEDMO CC[N@@H+](Cc1ccncc1C#N)[C@@H]1CCCC[C@H]1C ZINC000592117073 346964391 /nfs/dbraw/zinc/96/43/91/346964391.db2.gz WSESQWBTYLDWNM-CZUORRHYSA-N 1 1 257.381 3.354 20 30 CGEDMO Cc1ccc(C2([NH2+]Cc3nc(C#N)cs3)CCC2)cc1 ZINC000592187298 346970246 /nfs/dbraw/zinc/97/02/46/346970246.db2.gz JIINHQKROKYWDM-UHFFFAOYSA-N 1 1 283.400 3.492 20 30 CGEDMO C[N@@H+](CCCCNc1c(F)cc(C#N)cc1F)C1CC1 ZINC000413349293 529883837 /nfs/dbraw/zinc/88/38/37/529883837.db2.gz RKJXQAFEMGIFNH-UHFFFAOYSA-N 1 1 279.334 3.123 20 30 CGEDMO COc1cc(C[NH+]2CC(C)(CC(F)F)C2)ccc1C#N ZINC000592523440 346995918 /nfs/dbraw/zinc/99/59/18/346995918.db2.gz LQXPDYOQILEBSU-UHFFFAOYSA-N 1 1 280.318 3.044 20 30 CGEDMO C[N@@H+](CCCNc1ncc(C#N)cc1F)C1CCCCC1 ZINC000413051131 529892282 /nfs/dbraw/zinc/89/22/82/529892282.db2.gz WDJLSAKVHKLHCT-UHFFFAOYSA-N 1 1 290.386 3.159 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000623856263 349896787 /nfs/dbraw/zinc/89/67/87/349896787.db2.gz QLWNIJAUCFBJPO-GOEBONIOSA-N 1 1 293.455 3.047 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593118706 347042218 /nfs/dbraw/zinc/04/22/18/347042218.db2.gz RJMIJANRAGDWCN-RISCZKNCSA-N 1 1 262.303 3.350 20 30 CGEDMO C[N@@H+](Cc1ccccc1)Cc1ccc(F)c(C#N)c1 ZINC000160464855 530000084 /nfs/dbraw/zinc/00/00/84/530000084.db2.gz OVNKXVSHNXBFFR-UHFFFAOYSA-N 1 1 254.308 3.329 20 30 CGEDMO C[N@H+]1CCCC[C@H]1CCC(=O)NCC1(C(N)=O)CCCC1 ZINC000330315569 530052648 /nfs/dbraw/zinc/05/26/48/530052648.db2.gz YUMLRWCBSGDRKW-ZDUSSCGKSA-N 1 1 295.427 3.303 20 30 CGEDMO COCC[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccco1 ZINC000273212612 192076567 /nfs/dbraw/zinc/07/65/67/192076567.db2.gz BWISJWOBSMKAFQ-OAHLLOKOSA-N 1 1 288.322 3.158 20 30 CGEDMO C[C@@H]([N@@H+](C)CCC(=O)Nc1sccc1C#N)C(C)(C)C ZINC000027134452 344908654 /nfs/dbraw/zinc/90/86/54/344908654.db2.gz CUWZUPKLFNOTHU-LLVKDONJSA-N 1 1 293.436 3.315 20 30 CGEDMO C=CCC[N@@H+](CC(=O)OCC)[C@@H](C)c1ccccc1 ZINC000034576895 344941005 /nfs/dbraw/zinc/94/10/05/344941005.db2.gz OTALHMXQJQFWHP-AWEZNQCLSA-N 1 1 261.365 3.189 20 30 CGEDMO C=CCC[N@H+](CC(=O)OCC)[C@@H](C)c1ccccc1 ZINC000034576895 344941007 /nfs/dbraw/zinc/94/10/07/344941007.db2.gz OTALHMXQJQFWHP-AWEZNQCLSA-N 1 1 261.365 3.189 20 30 CGEDMO COc1ccc(C[N@@H+](C)CCCC#N)cc1OC(F)F ZINC000045944029 345032120 /nfs/dbraw/zinc/03/21/20/345032120.db2.gz HHOHZOSNINDHRT-UHFFFAOYSA-N 1 1 284.306 3.032 20 30 CGEDMO CC(C)CCOc1ccc(C[NH2+]C[C@@H](C)C#N)cc1 ZINC000054180388 345130296 /nfs/dbraw/zinc/13/02/96/345130296.db2.gz PISRFRCVPASQFX-AWEZNQCLSA-N 1 1 260.381 3.361 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCCNc1ccc(C#N)cc1 ZINC000019867561 232170898 /nfs/dbraw/zinc/17/08/98/232170898.db2.gz SRJVPJUKHJHPSU-AWEZNQCLSA-N 1 1 257.381 3.235 20 30 CGEDMO N#Cc1nc(NCC[NH+]2Cc3ccccc3C2)ccc1Cl ZINC000067370158 345320161 /nfs/dbraw/zinc/32/01/61/345320161.db2.gz DAMUSNKBJHWCNC-UHFFFAOYSA-N 1 1 298.777 3.034 20 30 CGEDMO CCc1ncc(C[N@H+](C)Cc2cccc(C#N)c2)s1 ZINC000067402655 345320709 /nfs/dbraw/zinc/32/07/09/345320709.db2.gz JFSLRLXZOUNAHK-UHFFFAOYSA-N 1 1 271.389 3.209 20 30 CGEDMO CCc1ncc(C[N@@H+](C)Cc2cccc(C#N)c2)s1 ZINC000067402655 345320711 /nfs/dbraw/zinc/32/07/11/345320711.db2.gz JFSLRLXZOUNAHK-UHFFFAOYSA-N 1 1 271.389 3.209 20 30 CGEDMO CC[N@@H+](CCn1nc(C)cc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000068809214 345364023 /nfs/dbraw/zinc/36/40/23/345364023.db2.gz MBNXOIMCIZCOCS-MRXNPFEDSA-N 1 1 296.418 3.455 20 30 CGEDMO CC[N@@H+](Cc1ccc(SC)c(OC)c1)C[C@H](C)C#N ZINC000068812854 345364937 /nfs/dbraw/zinc/36/49/37/345364937.db2.gz QOWDIRDYIGXSJJ-GFCCVEGCSA-N 1 1 278.421 3.399 20 30 CGEDMO CC[N@H+](Cc1ccc(SC)c(OC)c1)C[C@H](C)C#N ZINC000068812854 345364940 /nfs/dbraw/zinc/36/49/40/345364940.db2.gz QOWDIRDYIGXSJJ-GFCCVEGCSA-N 1 1 278.421 3.399 20 30 CGEDMO C=CC[N@H+](Cc1cnc(C)cn1)CC1CCCCC1 ZINC000069859698 345386338 /nfs/dbraw/zinc/38/63/38/345386338.db2.gz XKRWKGKDBWHMME-UHFFFAOYSA-N 1 1 259.397 3.353 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cn3ccccc3c2C#N)C[C@H](C)S1 ZINC000075891810 345526541 /nfs/dbraw/zinc/52/65/41/345526541.db2.gz NGGNVFMPYWXYOI-BETUJISGSA-N 1 1 285.416 3.137 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2cn3ccccc3c2C#N)C[C@H](C)S1 ZINC000075891810 345526544 /nfs/dbraw/zinc/52/65/44/345526544.db2.gz NGGNVFMPYWXYOI-BETUJISGSA-N 1 1 285.416 3.137 20 30 CGEDMO Cc1[nH+]ccn1CCCCNc1ccc(Cl)c(C#N)n1 ZINC000078336117 345601427 /nfs/dbraw/zinc/60/14/27/345601427.db2.gz WAGSPCVZFONDCZ-UHFFFAOYSA-N 1 1 289.770 3.004 20 30 CGEDMO N#CCSCCC[N@H+]1CCSC2(CCCCC2)C1 ZINC000079503911 345644241 /nfs/dbraw/zinc/64/42/41/345644241.db2.gz NHUYBAIWNXMZMS-UHFFFAOYSA-N 1 1 284.494 3.385 20 30 CGEDMO CC[N@@H+](CCC#N)CCCOc1ccc(C)c(C)c1 ZINC000081513756 345711692 /nfs/dbraw/zinc/71/16/92/345711692.db2.gz OUFBRFWCYVJRBJ-UHFFFAOYSA-N 1 1 260.381 3.308 20 30 CGEDMO CC[N@H+](CCC#N)CCCOc1ccc(C)c(C)c1 ZINC000081513756 345711694 /nfs/dbraw/zinc/71/16/94/345711694.db2.gz OUFBRFWCYVJRBJ-UHFFFAOYSA-N 1 1 260.381 3.308 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081635601 345716282 /nfs/dbraw/zinc/71/62/82/345716282.db2.gz OTFSAGNPBAERDH-MAUKXSAKSA-N 1 1 297.446 3.283 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000083690820 345727406 /nfs/dbraw/zinc/72/74/06/345727406.db2.gz KOXMYDTUHNEHQT-AWEZNQCLSA-N 1 1 285.366 3.449 20 30 CGEDMO Cn1c2ccc(Nc3ccc(C#N)cn3)cc2[nH+]c1C1CC1 ZINC000089649167 345773182 /nfs/dbraw/zinc/77/31/82/345773182.db2.gz UWIWOQUMWOALKS-UHFFFAOYSA-N 1 1 289.342 3.461 20 30 CGEDMO CC[C@H]1CC[N@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000091072018 345802939 /nfs/dbraw/zinc/80/29/39/345802939.db2.gz AFLYUKDMXLIMGY-HNNXBMFYSA-N 1 1 294.402 3.284 20 30 CGEDMO CC[C@H]1CC[N@@H+](Cc2c(C#N)c(C)nn2-c2ccccc2)C1 ZINC000091072018 345802942 /nfs/dbraw/zinc/80/29/42/345802942.db2.gz AFLYUKDMXLIMGY-HNNXBMFYSA-N 1 1 294.402 3.284 20 30 CGEDMO Cn1ccc(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000093872276 345892048 /nfs/dbraw/zinc/89/20/48/345892048.db2.gz SKTJFBISGDIUOH-ROUUACIJSA-N 1 1 279.387 3.297 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)CC(C)(C)O)cc1Cl ZINC000093414398 345877754 /nfs/dbraw/zinc/87/77/54/345877754.db2.gz BNYPSSODRZRBCE-UHFFFAOYSA-N 1 1 283.799 3.108 20 30 CGEDMO C=CCOc1ccccc1CN1CC[C@H](C[N@H+](C)CC)C1 ZINC000093770290 345886342 /nfs/dbraw/zinc/88/63/42/345886342.db2.gz CDSFXLDHBYJGCP-MRXNPFEDSA-N 1 1 288.435 3.025 20 30 CGEDMO C=CCCC[N@H+](C)Cc1nc(-c2cccc(C)c2)no1 ZINC000121138697 346001024 /nfs/dbraw/zinc/00/10/24/346001024.db2.gz PGRGDVRJRFSMOQ-UHFFFAOYSA-N 1 1 271.364 3.443 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cccc(Br)c1OC ZINC000172924997 346231640 /nfs/dbraw/zinc/23/16/40/346231640.db2.gz NFXKQVQRTVNRFB-UHFFFAOYSA-N 1 1 284.197 3.466 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000179623728 346253428 /nfs/dbraw/zinc/25/34/28/346253428.db2.gz AMVIGACXIRDNEZ-SNVBAGLBSA-N 1 1 274.311 3.394 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000179623728 346253430 /nfs/dbraw/zinc/25/34/30/346253430.db2.gz AMVIGACXIRDNEZ-SNVBAGLBSA-N 1 1 274.311 3.394 20 30 CGEDMO CCO[C@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000233765715 346329354 /nfs/dbraw/zinc/32/93/54/346329354.db2.gz MSUKYAFKYHHORV-AWEZNQCLSA-N 1 1 252.402 3.207 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000246019132 346357711 /nfs/dbraw/zinc/35/77/11/346357711.db2.gz MZHVDFHSIPCPAT-IRXDYDNUSA-N 1 1 259.393 3.459 20 30 CGEDMO C[C@@H](C#N)C[N@H+](Cc1cccc2c1CCC2)C1CC1 ZINC000593582896 347092723 /nfs/dbraw/zinc/09/27/23/347092723.db2.gz DUYAXXUOLGFKRU-ZDUSSCGKSA-N 1 1 254.377 3.299 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](Cc1cccc2c1CCC2)C1CC1 ZINC000593582896 347092725 /nfs/dbraw/zinc/09/27/25/347092725.db2.gz DUYAXXUOLGFKRU-ZDUSSCGKSA-N 1 1 254.377 3.299 20 30 CGEDMO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1ccc(C#N)cc1C ZINC000403938688 346598432 /nfs/dbraw/zinc/59/84/32/346598432.db2.gz VQKDGGSINFODIR-MRXNPFEDSA-N 1 1 272.392 3.256 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NCC1(C#N)CCCC1 ZINC000405153526 346602150 /nfs/dbraw/zinc/60/21/50/346602150.db2.gz QIHWLOZNYHZVDC-SJLPKXTDSA-N 1 1 297.446 3.180 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCC1(C#N)CCCC1 ZINC000405153526 346602156 /nfs/dbraw/zinc/60/21/56/346602156.db2.gz QIHWLOZNYHZVDC-SJLPKXTDSA-N 1 1 297.446 3.180 20 30 CGEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CCCCCC#N)C1 ZINC000588305625 346759776 /nfs/dbraw/zinc/75/97/76/346759776.db2.gz ZGQAFBUYXYUGBS-OAHLLOKOSA-N 1 1 293.455 3.087 20 30 CGEDMO COc1ccc([C@@H]([NH2+]CCCC#N)c2ccccn2)cc1 ZINC000593708568 347105635 /nfs/dbraw/zinc/10/56/35/347105635.db2.gz VRNIIENUJSTLCO-QGZVFWFLSA-N 1 1 281.359 3.073 20 30 CGEDMO C/C(=C/c1ccccc1OC(F)F)C[NH2+]C[C@H](C)C#N ZINC000589511393 346798721 /nfs/dbraw/zinc/79/87/21/346798721.db2.gz HZLMWWSKBFCQSF-SEVUFMINSA-N 1 1 280.318 3.441 20 30 CGEDMO C/C(=C/c1ccccc1OC(F)F)C[NH2+]C[C@@H](C)C#N ZINC000589511389 346799194 /nfs/dbraw/zinc/79/91/94/346799194.db2.gz HZLMWWSKBFCQSF-RDQDRAATSA-N 1 1 280.318 3.441 20 30 CGEDMO CC(C)([NH2+]Cc1ccc(C#N)cn1)c1ccccc1F ZINC000593991690 347131739 /nfs/dbraw/zinc/13/17/39/347131739.db2.gz IJGXHFYPHXTCTK-UHFFFAOYSA-N 1 1 269.323 3.117 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC=C(c3cccnc3)C2)s1 ZINC000593990219 347131832 /nfs/dbraw/zinc/13/18/32/347131832.db2.gz YKLOOWDURRRUTA-UHFFFAOYSA-N 1 1 281.384 3.304 20 30 CGEDMO N#Cc1ccc(C2(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CCC2)cc1 ZINC000594517217 347186748 /nfs/dbraw/zinc/18/67/48/347186748.db2.gz IHJLMYJJLISFPQ-ROUUACIJSA-N 1 1 295.430 3.154 20 30 CGEDMO N#Cc1ccc(C2(N[C@H]3CC[N@H+]4CCC[C@H]4C3)CCC2)cc1 ZINC000594517217 347186750 /nfs/dbraw/zinc/18/67/50/347186750.db2.gz IHJLMYJJLISFPQ-ROUUACIJSA-N 1 1 295.430 3.154 20 30 CGEDMO CC(C)([NH2+]Cc1nccs1)c1cccc(C#N)c1 ZINC000594968634 347244772 /nfs/dbraw/zinc/24/47/72/347244772.db2.gz LEPDKIVLXOEELS-UHFFFAOYSA-N 1 1 257.362 3.040 20 30 CGEDMO Cn1ncc(C2CCC2)c1C[NH2+]CC1(C#N)CCCCC1 ZINC000594981443 347248762 /nfs/dbraw/zinc/24/87/62/347248762.db2.gz QBFMLBYBGRMURB-UHFFFAOYSA-N 1 1 286.423 3.251 20 30 CGEDMO N#Cc1ccccc1N1CCC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000595299595 347289297 /nfs/dbraw/zinc/28/92/97/347289297.db2.gz VKLJKQVLDHYLDG-VBUUOAMHSA-N 1 1 295.430 3.116 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000595359604 347296857 /nfs/dbraw/zinc/29/68/57/347296857.db2.gz QSABVAIGFVUQOG-KRWDZBQOSA-N 1 1 265.360 3.266 20 30 CGEDMO C[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1ccc(C#N)cc1F ZINC000595031074 347263509 /nfs/dbraw/zinc/26/35/09/347263509.db2.gz DRAKLPOOBXSVMY-IAQYHMDHSA-N 1 1 284.338 3.080 20 30 CGEDMO C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595611141 347326488 /nfs/dbraw/zinc/32/64/88/347326488.db2.gz HJQQSOZXOLGGOG-KGLIPLIRSA-N 1 1 296.374 3.423 20 30 CGEDMO C[C@H](c1nnc(-c2ccccc2)o1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595611141 347326490 /nfs/dbraw/zinc/32/64/90/347326490.db2.gz HJQQSOZXOLGGOG-KGLIPLIRSA-N 1 1 296.374 3.423 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000595613373 347327226 /nfs/dbraw/zinc/32/72/26/347327226.db2.gz CEEKRHSHGFMSKH-LRDDRELGSA-N 1 1 258.340 3.439 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595613412 347327888 /nfs/dbraw/zinc/32/78/88/347327888.db2.gz COIFQURFGKVIPW-DZGCQCFKSA-N 1 1 253.349 3.245 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000595621462 347328303 /nfs/dbraw/zinc/32/83/03/347328303.db2.gz VECNLMKTBKGYSY-OAHLLOKOSA-N 1 1 292.386 3.269 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595623103 347329126 /nfs/dbraw/zinc/32/91/26/347329126.db2.gz HMELHIHTPNOUAF-KGLIPLIRSA-N 1 1 253.349 3.245 20 30 CGEDMO CN(CCC[N@H+]1CCC[C@H](CC#N)C1)c1ccccc1 ZINC000595623107 347329767 /nfs/dbraw/zinc/32/97/67/347329767.db2.gz HORMVJHHMIPJBI-MRXNPFEDSA-N 1 1 271.408 3.139 20 30 CGEDMO Cc1cccc(C[NH+]2CCN(c3ccsc3C#N)CC2)c1 ZINC000595631199 347330143 /nfs/dbraw/zinc/33/01/43/347330143.db2.gz BKAIUXHOXHPLAK-UHFFFAOYSA-N 1 1 297.427 3.250 20 30 CGEDMO CC1(C)C[N@@H+](C[C@@H](C#N)CCC#N)CCc2ccccc21 ZINC000595630894 347330496 /nfs/dbraw/zinc/33/04/96/347330496.db2.gz CIFDTMZQTLGGDK-OAHLLOKOSA-N 1 1 281.403 3.266 20 30 CGEDMO Cc1ccc2c(c1)C[N@H+](Cc1ccc(C#N)cc1)CC2 ZINC000595657840 347334298 /nfs/dbraw/zinc/33/42/98/347334298.db2.gz PUCTWCMRJPLVHW-UHFFFAOYSA-N 1 1 262.356 3.425 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2nc(C(=O)OCC)cs2)C1 ZINC000595658514 347334457 /nfs/dbraw/zinc/33/44/57/347334457.db2.gz KEOSLQOIXGJLBR-GFCCVEGCSA-N 1 1 294.420 3.108 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2nc(C(=O)OCC)cs2)C1 ZINC000595658514 347334461 /nfs/dbraw/zinc/33/44/61/347334461.db2.gz KEOSLQOIXGJLBR-GFCCVEGCSA-N 1 1 294.420 3.108 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000595662049 347335011 /nfs/dbraw/zinc/33/50/11/347335011.db2.gz YZNZXASTFXPTET-ZDUSSCGKSA-N 1 1 258.340 3.485 20 30 CGEDMO COC(=O)C[N@@H+](CCCC(C)(C)C#N)C1CCCCC1 ZINC000595663063 347335655 /nfs/dbraw/zinc/33/56/55/347335655.db2.gz GNGWOIQLEYMSEF-UHFFFAOYSA-N 1 1 280.412 3.124 20 30 CGEDMO C[C@H](CO)[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000595679801 347336246 /nfs/dbraw/zinc/33/62/46/347336246.db2.gz YKWIRYKBGPMZOB-MLGOLLRUSA-N 1 1 292.810 3.195 20 30 CGEDMO Cc1cc(C[N@@H+]2CC3(CCC3)OC[C@H]2C)ccc1C#N ZINC000595682284 347336547 /nfs/dbraw/zinc/33/65/47/347336547.db2.gz QMSGKDZSKAKJNY-CQSZACIVSA-N 1 1 270.376 3.010 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@@H+]2C[C@]3(C)COC[C@]3(C)C2)cc1 ZINC000595691142 347339027 /nfs/dbraw/zinc/33/90/27/347339027.db2.gz ZKBJMWFDTKAHIC-KDURUIRLSA-N 1 1 298.430 3.346 20 30 CGEDMO C[N@@H+](CCC1(C#N)CCCCC1)CC1=CCCOC1 ZINC000595747959 347349502 /nfs/dbraw/zinc/34/95/02/347349502.db2.gz QUPWZUXHYMSRJJ-UHFFFAOYSA-N 1 1 262.397 3.129 20 30 CGEDMO COc1cccc([C@]2(C)CC[N@H+]([C@@H]3CC[C@@H](C#N)C3)C2)c1 ZINC000595771083 347353173 /nfs/dbraw/zinc/35/31/73/347353173.db2.gz ZNNBRSYVWCBSPK-QGPMSJSTSA-N 1 1 284.403 3.351 20 30 CGEDMO C[C@H](C[N@@H+](C)CCc1ccc(C#N)cc1)c1nccs1 ZINC000595426741 347301754 /nfs/dbraw/zinc/30/17/54/347301754.db2.gz QJWJKRGPRKSMIA-CYBMUJFWSA-N 1 1 285.416 3.293 20 30 CGEDMO COc1cccc(C[NH+]2CCC(C)(C#N)CC2)c1Cl ZINC000595432273 347303085 /nfs/dbraw/zinc/30/30/85/347303085.db2.gz YKGFLCXBGKDNCO-UHFFFAOYSA-N 1 1 278.783 3.474 20 30 CGEDMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595467521 347307730 /nfs/dbraw/zinc/30/77/30/347307730.db2.gz HMWQNLSZNTYWHX-SMDDNHRTSA-N 1 1 282.309 3.373 20 30 CGEDMO COCC[N@@H+](CCc1ccc(C#N)cc1)[C@@H]1CC[C@H](C)C1 ZINC000595462255 347307827 /nfs/dbraw/zinc/30/78/27/347307827.db2.gz SLKONSCRKQWQEW-MAUKXSAKSA-N 1 1 286.419 3.238 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000595841646 347365510 /nfs/dbraw/zinc/36/55/10/347365510.db2.gz NMGYRSCWFLOWLC-DOTOQJQBSA-N 1 1 254.377 3.342 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cn1)C[C@@H]1CCc2ccccc21 ZINC000595877812 347369808 /nfs/dbraw/zinc/36/98/08/347369808.db2.gz KFKJNMILQRGAEX-INIZCTEOSA-N 1 1 277.371 3.115 20 30 CGEDMO N#Cc1c(N[C@@H]2CC[N@H+](C3CC3)C2)cccc1C(F)F ZINC000596091556 347382618 /nfs/dbraw/zinc/38/26/18/347382618.db2.gz NIFNOVXMNTWERK-SNVBAGLBSA-N 1 1 277.318 3.144 20 30 CGEDMO Cc1ccnc(N[C@@H]2CC[N@H+](C3CCCCC3)C2)c1C#N ZINC000596480988 347465334 /nfs/dbraw/zinc/46/53/34/347465334.db2.gz VXSSRJUXDLKPRH-CQSZACIVSA-N 1 1 284.407 3.081 20 30 CGEDMO N#CCCCOc1cccc(C[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000597173908 347544284 /nfs/dbraw/zinc/54/42/84/347544284.db2.gz NGMJLOOLKYAHLL-INIZCTEOSA-N 1 1 297.402 3.495 20 30 CGEDMO COC[C@@H](C)Oc1ccc(C[N@H+](CCC#N)C(C)C)cc1 ZINC000596985610 347524571 /nfs/dbraw/zinc/52/45/71/347524571.db2.gz GADQAHQBBSDIRF-OAHLLOKOSA-N 1 1 290.407 3.224 20 30 CGEDMO COC[C@@H](C)Oc1ccc(C[N@@H+](CCC#N)C(C)C)cc1 ZINC000596985610 347524573 /nfs/dbraw/zinc/52/45/73/347524573.db2.gz GADQAHQBBSDIRF-OAHLLOKOSA-N 1 1 290.407 3.224 20 30 CGEDMO C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)C[C@H]1CCCCO1 ZINC000597000158 347526302 /nfs/dbraw/zinc/52/63/02/347526302.db2.gz JCONZFUFYDJTQR-QGZVFWFLSA-N 1 1 284.403 3.243 20 30 CGEDMO C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)CC1CCOCC1 ZINC000597015674 347527068 /nfs/dbraw/zinc/52/70/68/347527068.db2.gz JIFSBSKZECCBCN-UHFFFAOYSA-N 1 1 284.403 3.100 20 30 CGEDMO CC(C)[C@H]1CN(Cc2ccc(C3(C#N)CC3)cc2)CC[N@H+]1C ZINC000597113104 347536510 /nfs/dbraw/zinc/53/65/10/347536510.db2.gz PFQOFODZDREBTR-GOSISDBHSA-N 1 1 297.446 3.014 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CCN1C ZINC000597113104 347536516 /nfs/dbraw/zinc/53/65/16/347536516.db2.gz PFQOFODZDREBTR-GOSISDBHSA-N 1 1 297.446 3.014 20 30 CGEDMO N#CC1(c2ccc(C[N@@H+]3CCCCC[C@@H]3CCO)cc2)CC1 ZINC000597121826 347537371 /nfs/dbraw/zinc/53/73/71/347537371.db2.gz RBUVHZVNNSOBFP-GOSISDBHSA-N 1 1 298.430 3.369 20 30 CGEDMO CC[C@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)[C@@H](C)CO1 ZINC000597159355 347542281 /nfs/dbraw/zinc/54/22/81/347542281.db2.gz YZRURCGWNVFABT-YOEHRIQHSA-N 1 1 284.403 3.241 20 30 CGEDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)CC1(C#N)CCCCC1 ZINC000597662764 347586580 /nfs/dbraw/zinc/58/65/80/347586580.db2.gz WEZMMLCCUBFPTP-OAHLLOKOSA-N 1 1 293.455 3.087 20 30 CGEDMO C[C@]1(C2CC2)C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000597180484 347546300 /nfs/dbraw/zinc/54/63/00/347546300.db2.gz UFGJOKFWPRVMOH-GOSISDBHSA-N 1 1 296.414 3.243 20 30 CGEDMO COc1nc(C)cc(C)c1C[N@@H+](C)CCCC(C)(C)C#N ZINC000598647422 347674890 /nfs/dbraw/zinc/67/48/90/347674890.db2.gz CNVVADDMBLUVNT-UHFFFAOYSA-N 1 1 289.423 3.469 20 30 CGEDMO CN1CC[C@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1(C)C ZINC000598982836 347703757 /nfs/dbraw/zinc/70/37/57/347703757.db2.gz QDIUJRKJEKGTEZ-FUHWJXTLSA-N 1 1 297.446 3.398 20 30 CGEDMO C[N@@H+]1CC[C@H](N[C@@H]2CCCc3cc(C#N)ccc32)CC1(C)C ZINC000598982836 347703760 /nfs/dbraw/zinc/70/37/60/347703760.db2.gz QDIUJRKJEKGTEZ-FUHWJXTLSA-N 1 1 297.446 3.398 20 30 CGEDMO C[N@H+]1CC[C@H](N[C@@H]2CCCc3cc(C#N)ccc32)CC1(C)C ZINC000598982836 347703762 /nfs/dbraw/zinc/70/37/62/347703762.db2.gz QDIUJRKJEKGTEZ-FUHWJXTLSA-N 1 1 297.446 3.398 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000598584939 347665925 /nfs/dbraw/zinc/66/59/25/347665925.db2.gz JTEKLLARHFTGRT-INIZCTEOSA-N 1 1 290.382 3.091 20 30 CGEDMO CCC[N@H+](Cc1ccccc1)C[C@H](O)CC(C)(C)C#N ZINC000598584691 347666010 /nfs/dbraw/zinc/66/60/10/347666010.db2.gz RZAJCJAAWRREKH-MRXNPFEDSA-N 1 1 274.408 3.199 20 30 CGEDMO C[N@H+](Cc1cccc(Cl)c1)C[C@H](O)CC(C)(C)C#N ZINC000598585405 347666773 /nfs/dbraw/zinc/66/67/73/347666773.db2.gz CJSAMSPHBJHHKE-CQSZACIVSA-N 1 1 280.799 3.073 20 30 CGEDMO CCC1(CC)CCC[N@@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598628112 347673175 /nfs/dbraw/zinc/67/31/75/347673175.db2.gz MBIJMODYWFSNLN-CQSZACIVSA-N 1 1 266.429 3.189 20 30 CGEDMO Cc1ncccc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677356 347764384 /nfs/dbraw/zinc/76/43/84/347764384.db2.gz FXYFJNZSYBEKLY-UHFFFAOYSA-N 1 1 277.371 3.014 20 30 CGEDMO CCc1ccc(C[N@@H+]2CCc3c(CC#N)cccc3C2)nc1 ZINC000599679083 347765057 /nfs/dbraw/zinc/76/50/57/347765057.db2.gz VSCNDWZZYFRKHA-UHFFFAOYSA-N 1 1 291.398 3.268 20 30 CGEDMO CCc1ccc(C[N@H+]2CCc3c(CC#N)cccc3C2)nc1 ZINC000599679083 347765061 /nfs/dbraw/zinc/76/50/61/347765061.db2.gz VSCNDWZZYFRKHA-UHFFFAOYSA-N 1 1 291.398 3.268 20 30 CGEDMO N#CCc1cccc2c1CC[N@@H+](Cc1cccs1)C2 ZINC000599678599 347765124 /nfs/dbraw/zinc/76/51/24/347765124.db2.gz WUVHRENAZYHKIU-UHFFFAOYSA-N 1 1 268.385 3.372 20 30 CGEDMO N#CCc1cccc2c1CC[N@H+]([C@H]1C=CCCC1)C2 ZINC000599678722 347765192 /nfs/dbraw/zinc/76/51/92/347765192.db2.gz LUGQDQBJOMVYBY-INIZCTEOSA-N 1 1 252.361 3.219 20 30 CGEDMO C[C@@H](c1cccnc1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678696 347765398 /nfs/dbraw/zinc/76/53/98/347765398.db2.gz LAXJGGTVKDIMTO-AWEZNQCLSA-N 1 1 277.371 3.267 20 30 CGEDMO COC[C@@H](C)[N@@H+](CC1(C#N)CC1)[C@H]1CCc2ccccc21 ZINC000599684242 347765840 /nfs/dbraw/zinc/76/58/40/347765840.db2.gz XHOWIDHHYGPVIR-PBHICJAKSA-N 1 1 284.403 3.315 20 30 CGEDMO COC[C@H](C)[N@@H+](CC1(C#N)CC1)[C@@H]1CCc2ccccc21 ZINC000599684246 347766056 /nfs/dbraw/zinc/76/60/56/347766056.db2.gz XHOWIDHHYGPVIR-WMLDXEAASA-N 1 1 284.403 3.315 20 30 CGEDMO N#CCc1cccc2c1CCN(c1cc[nH+]cc1Cl)C2 ZINC000599195765 347725596 /nfs/dbraw/zinc/72/55/96/347725596.db2.gz WKXURZVBKOHTLZ-UHFFFAOYSA-N 1 1 283.762 3.364 20 30 CGEDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(C)c(C#N)c2)[C@@H](C)C1 ZINC000599332454 347736713 /nfs/dbraw/zinc/73/67/13/347736713.db2.gz TVDSNAFAHBBWPP-MAUKXSAKSA-N 1 1 285.435 3.029 20 30 CGEDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C)c(C#N)c2)[C@@H](C)C1 ZINC000599332454 347736714 /nfs/dbraw/zinc/73/67/14/347736714.db2.gz TVDSNAFAHBBWPP-MAUKXSAKSA-N 1 1 285.435 3.029 20 30 CGEDMO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(C)c(C#N)c2)[C@@H](C)C1 ZINC000599332454 347736718 /nfs/dbraw/zinc/73/67/18/347736718.db2.gz TVDSNAFAHBBWPP-MAUKXSAKSA-N 1 1 285.435 3.029 20 30 CGEDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C)c(C#N)c2)[C@@H](C)C1 ZINC000599332454 347736719 /nfs/dbraw/zinc/73/67/19/347736719.db2.gz TVDSNAFAHBBWPP-MAUKXSAKSA-N 1 1 285.435 3.029 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1C#N ZINC000599340132 347736916 /nfs/dbraw/zinc/73/69/16/347736916.db2.gz LGFVHNKHBHKFAS-IAGOWNOFSA-N 1 1 284.403 3.115 20 30 CGEDMO Cc1ccc(C[N@@H+]2CC3(C[C@H]2C)CCOCC3)cc1C#N ZINC000599451158 347746135 /nfs/dbraw/zinc/74/61/35/347746135.db2.gz BYJHCJKGIQNIOW-OAHLLOKOSA-N 1 1 284.403 3.258 20 30 CGEDMO Cc1ccc(C[N@@H+]2CC3(CCCC3)OC[C@H]2C)cc1C#N ZINC000599475434 347747631 /nfs/dbraw/zinc/74/76/31/347747631.db2.gz PGXSTNYXNSTKHM-OAHLLOKOSA-N 1 1 284.403 3.400 20 30 CGEDMO CCC[N@@H+](C)CC(C)(C)NCc1ccc(C)c(C#N)c1 ZINC000599482359 347748750 /nfs/dbraw/zinc/74/87/50/347748750.db2.gz SBYIZLJKHWNWNQ-UHFFFAOYSA-N 1 1 273.424 3.077 20 30 CGEDMO CCCN(C)CC(C)(C)[NH2+]Cc1ccc(C)c(C#N)c1 ZINC000599482359 347748752 /nfs/dbraw/zinc/74/87/52/347748752.db2.gz SBYIZLJKHWNWNQ-UHFFFAOYSA-N 1 1 273.424 3.077 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2nc([C@H](C)SCC)no2)C1 ZINC000599526843 347750451 /nfs/dbraw/zinc/75/04/51/347750451.db2.gz UYPLYNIWZVTCRU-NWDGAFQWSA-N 1 1 281.425 3.282 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2nc([C@H](C)SCC)no2)C1 ZINC000599526843 347750453 /nfs/dbraw/zinc/75/04/53/347750453.db2.gz UYPLYNIWZVTCRU-NWDGAFQWSA-N 1 1 281.425 3.282 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000599526064 347750479 /nfs/dbraw/zinc/75/04/79/347750479.db2.gz CVWQGBLWVSMRMU-NSHDSACASA-N 1 1 264.300 3.132 20 30 CGEDMO CC(C)[C@@H]1[N@@H+](C[C@@H](O)CC2(C#N)CC2)CC12CCCCC2 ZINC000601958959 347929434 /nfs/dbraw/zinc/92/94/34/347929434.db2.gz KESKRCUDHRMNLP-HOTGVXAUSA-N 1 1 290.451 3.332 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)n1 ZINC000602436721 347957393 /nfs/dbraw/zinc/95/73/93/347957393.db2.gz ZQSYJXFIFZMFCF-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)n1 ZINC000602436721 347957395 /nfs/dbraw/zinc/95/73/95/347957395.db2.gz ZQSYJXFIFZMFCF-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)CC1CCSCC1 ZINC000602440905 347957912 /nfs/dbraw/zinc/95/79/12/347957912.db2.gz MPWBQJVNRQFEBM-UHFFFAOYSA-N 1 1 260.406 3.133 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000602439388 347958379 /nfs/dbraw/zinc/95/83/79/347958379.db2.gz DMKPXSKYALWPAF-CQSZACIVSA-N 1 1 267.376 3.463 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)Cc1ccc2nccnc2c1 ZINC000602466038 347962884 /nfs/dbraw/zinc/96/28/84/347962884.db2.gz UQYZUHXIRWLDAG-UHFFFAOYSA-N 1 1 282.391 3.392 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc2nccnc2c1 ZINC000602466038 347962887 /nfs/dbraw/zinc/96/28/87/347962887.db2.gz UQYZUHXIRWLDAG-UHFFFAOYSA-N 1 1 282.391 3.392 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCc2ccc(F)c(F)c2C1 ZINC000602484079 347967159 /nfs/dbraw/zinc/96/71/59/347967159.db2.gz HFGQMYLFBRQNBH-NSHDSACASA-N 1 1 264.319 3.263 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCSC3(CCCCC3)C2)n1 ZINC000602487830 347968059 /nfs/dbraw/zinc/96/80/59/347968059.db2.gz UYMFWTZFUIKFSE-UHFFFAOYSA-N 1 1 287.432 3.205 20 30 CGEDMO CC(C)Oc1ccccc1C[NH2+]Cc1cccc(C#N)n1 ZINC000602517446 347974339 /nfs/dbraw/zinc/97/43/39/347974339.db2.gz BXGPNJPEQNWOOI-UHFFFAOYSA-N 1 1 281.359 3.030 20 30 CGEDMO Cn1ccnc1[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)C1CC1 ZINC000602580193 347987433 /nfs/dbraw/zinc/98/74/33/347987433.db2.gz DZRMAHAXMBQHDN-INIZCTEOSA-N 1 1 292.386 3.022 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+]1CCSC[C@H]1c1nccs1 ZINC000602614726 347994893 /nfs/dbraw/zinc/99/48/93/347994893.db2.gz GQUBUYFHSBJMQL-NEPJUHHUSA-N 1 1 281.450 3.173 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCSC[C@H]1c1nccs1 ZINC000602614726 347994895 /nfs/dbraw/zinc/99/48/95/347994895.db2.gz GQUBUYFHSBJMQL-NEPJUHHUSA-N 1 1 281.450 3.173 20 30 CGEDMO N#CCC1(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)CC1 ZINC000602782347 348028435 /nfs/dbraw/zinc/02/84/35/348028435.db2.gz MGVACIUKPOEPLB-HNNXBMFYSA-N 1 1 262.397 3.104 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc(CC(F)(F)F)cc2)CC1 ZINC000602643329 348000073 /nfs/dbraw/zinc/00/00/73/348000073.db2.gz PQXMKPWBVQEKTL-UHFFFAOYSA-N 1 1 268.282 3.185 20 30 CGEDMO C[C@H](CCC#N)C[NH2+]CC(F)(F)c1ccc(F)cc1 ZINC000602716774 348016462 /nfs/dbraw/zinc/01/64/62/348016462.db2.gz DGJWCQBJGJOMFT-LLVKDONJSA-N 1 1 270.298 3.447 20 30 CGEDMO C[C@@]1(C[N@H+]2CC[C@@](C)(C#N)C2)C[C@H]1c1ccccc1 ZINC000602716257 348016476 /nfs/dbraw/zinc/01/64/76/348016476.db2.gz COMHMVDIVIWAOU-ULQDDVLXSA-N 1 1 254.377 3.416 20 30 CGEDMO C[N@H+](Cc1nc2ccccc2s1)CC1(CC#N)CC1 ZINC000602765106 348025295 /nfs/dbraw/zinc/02/52/95/348025295.db2.gz CHCPARFXWRGEOS-UHFFFAOYSA-N 1 1 271.389 3.422 20 30 CGEDMO C[N@@H+](Cc1nc2ccccc2s1)CC1(CC#N)CC1 ZINC000602765106 348025297 /nfs/dbraw/zinc/02/52/97/348025297.db2.gz CHCPARFXWRGEOS-UHFFFAOYSA-N 1 1 271.389 3.422 20 30 CGEDMO N#CCC1(C[N@H+]2CCc3c(Cl)cccc3C2)CC1 ZINC000602776807 348026941 /nfs/dbraw/zinc/02/69/41/348026941.db2.gz DTIDDMRYGCXDAX-UHFFFAOYSA-N 1 1 260.768 3.392 20 30 CGEDMO N#CCC1(C[N@@H+]2CCc3c(Cl)cccc3C2)CC1 ZINC000602776807 348026945 /nfs/dbraw/zinc/02/69/45/348026945.db2.gz DTIDDMRYGCXDAX-UHFFFAOYSA-N 1 1 260.768 3.392 20 30 CGEDMO CC[N@@H+](CC1(CC#N)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000602805600 348031264 /nfs/dbraw/zinc/03/12/64/348031264.db2.gz BSIMQSQSYFQCND-GOSISDBHSA-N 1 1 297.446 3.277 20 30 CGEDMO CCN(CC1(CC#N)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602805600 348031268 /nfs/dbraw/zinc/03/12/68/348031268.db2.gz BSIMQSQSYFQCND-GOSISDBHSA-N 1 1 297.446 3.277 20 30 CGEDMO CCN(CC1(CC#N)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602805600 348031270 /nfs/dbraw/zinc/03/12/70/348031270.db2.gz BSIMQSQSYFQCND-GOSISDBHSA-N 1 1 297.446 3.277 20 30 CGEDMO N#CCC1(C[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000602800233 348031591 /nfs/dbraw/zinc/03/15/91/348031591.db2.gz XEPMFUCSTSYTOG-UHFFFAOYSA-N 1 1 285.347 3.253 20 30 CGEDMO N#CCC1(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000602800233 348031592 /nfs/dbraw/zinc/03/15/92/348031592.db2.gz XEPMFUCSTSYTOG-UHFFFAOYSA-N 1 1 285.347 3.253 20 30 CGEDMO N#CCC1(C[N@H+]2CCCc3ccccc3CC2)CC1 ZINC000602837819 348035703 /nfs/dbraw/zinc/03/57/03/348035703.db2.gz ALXXRPWKOFSTDC-UHFFFAOYSA-N 1 1 254.377 3.171 20 30 CGEDMO C[C@H](CC#N)[NH2+]CCOc1ccc(Cl)cc1Cl ZINC000602862197 348037564 /nfs/dbraw/zinc/03/75/64/348037564.db2.gz JEQPKQZZXDVKOE-SECBINFHSA-N 1 1 273.163 3.264 20 30 CGEDMO C[C@@H]1C[N@@H+](CC2(CC#N)CC2)CC2(CCCCC2)O1 ZINC000602873413 348039080 /nfs/dbraw/zinc/03/90/80/348039080.db2.gz NSTYQKNCCDYYKK-CQSZACIVSA-N 1 1 262.397 3.104 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](c3ccc4cccnc4n3)C2)C1 ZINC000602886211 348040889 /nfs/dbraw/zinc/04/08/89/348040889.db2.gz IIAXBJHKRGHEGT-FVQBIDKESA-N 1 1 292.386 3.111 20 30 CGEDMO N#CCC1(C[NH2+][C@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000602902124 348041900 /nfs/dbraw/zinc/04/19/00/348041900.db2.gz GUICJFQZTUNENR-GFCCVEGCSA-N 1 1 299.201 3.310 20 30 CGEDMO Cc1cnc([C@@H](C)[NH+]2CCC(c3ccc(C#N)cn3)CC2)o1 ZINC000602906342 348042487 /nfs/dbraw/zinc/04/24/87/348042487.db2.gz FPQBWKQRCZARFO-CYBMUJFWSA-N 1 1 296.374 3.190 20 30 CGEDMO CCn1nc(C)c(C[N@@H+](C)Cc2ccc(C)c(C#N)c2)c1C ZINC000602924180 348045046 /nfs/dbraw/zinc/04/50/46/348045046.db2.gz BIFZYLMDPRMOFP-UHFFFAOYSA-N 1 1 296.418 3.332 20 30 CGEDMO COc1ccc(OCCC[N@@H+](C)[C@H]2CCC[C@H]2C#N)cc1 ZINC000602976843 348049423 /nfs/dbraw/zinc/04/94/23/348049423.db2.gz UGDAMWYOIQDROX-YOEHRIQHSA-N 1 1 288.391 3.088 20 30 CGEDMO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000602999973 348053884 /nfs/dbraw/zinc/05/38/84/348053884.db2.gz QFMDMFYPKZGQGL-GOEBONIOSA-N 1 1 259.397 3.332 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@H]2CCCn3nccc32)c(Cl)c1 ZINC000603028733 348054417 /nfs/dbraw/zinc/05/44/17/348054417.db2.gz FUPWUHBCSUWANY-AWEZNQCLSA-N 1 1 286.766 3.033 20 30 CGEDMO CC[N@H+](CCC(F)(F)F)Cc1cc(C#N)ccc1F ZINC000604525311 348123752 /nfs/dbraw/zinc/12/37/52/348123752.db2.gz MCKPTEYEAGYNHC-UHFFFAOYSA-N 1 1 274.261 3.472 20 30 CGEDMO CC[N@@H+](CCC(F)(F)F)Cc1cc(C#N)ccc1F ZINC000604525311 348123756 /nfs/dbraw/zinc/12/37/56/348123756.db2.gz MCKPTEYEAGYNHC-UHFFFAOYSA-N 1 1 274.261 3.472 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000605150125 348148683 /nfs/dbraw/zinc/14/86/83/348148683.db2.gz VAVRKQUYQKRUPQ-IYBDPMFKSA-N 1 1 256.393 3.021 20 30 CGEDMO C=CCCCCC[N@H+](C)CC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000606902740 348206311 /nfs/dbraw/zinc/20/63/11/348206311.db2.gz ZGNSPVVFSZURNV-HOTGVXAUSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCCCC[N@H+](C)CC(=O)N1CCCC[C@H]1CC ZINC000606902242 348206485 /nfs/dbraw/zinc/20/64/85/348206485.db2.gz FNZXIGNXLQBVEO-MRXNPFEDSA-N 1 1 280.456 3.456 20 30 CGEDMO N#Cc1cccc(C[NH2+]Cc2nc3c(s2)CCCC3)c1 ZINC000610150905 348363727 /nfs/dbraw/zinc/36/37/27/348363727.db2.gz JDQDXYUJMIUUHF-UHFFFAOYSA-N 1 1 283.400 3.183 20 30 CGEDMO CCC[C@H]1[C@@H](C)CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610994978 348417510 /nfs/dbraw/zinc/41/75/10/348417510.db2.gz QFLWJMWCWZTDKM-BBRMVZONSA-N 1 1 257.381 3.354 20 30 CGEDMO C[C@H](c1ccco1)[N@H+](Cc1ccnc(C#N)c1)C1CC1 ZINC000610995150 348417773 /nfs/dbraw/zinc/41/77/73/348417773.db2.gz PMFCUWCJXPGJPN-GFCCVEGCSA-N 1 1 267.332 3.272 20 30 CGEDMO C[C@H](c1ccco1)[N@@H+](Cc1ccnc(C#N)c1)C1CC1 ZINC000610995150 348417777 /nfs/dbraw/zinc/41/77/77/348417777.db2.gz PMFCUWCJXPGJPN-GFCCVEGCSA-N 1 1 267.332 3.272 20 30 CGEDMO CC[N@H+]1C[C@H](C)N(c2cc(C#N)nc3ccccc32)C[C@@H]1C ZINC000611221998 348428475 /nfs/dbraw/zinc/42/84/75/348428475.db2.gz CCDZSBGQFUJAEL-KBPBESRZSA-N 1 1 294.402 3.025 20 30 CGEDMO Cn1nc(C[N@H+](C)Cc2ccc(C#N)cc2)c2ccccc21 ZINC000611254421 348432133 /nfs/dbraw/zinc/43/21/33/348432133.db2.gz ZTIUOAZQKQOWDN-UHFFFAOYSA-N 1 1 290.370 3.077 20 30 CGEDMO Cn1nc(C[N@@H+](C)Cc2ccc(C#N)cc2)c2ccccc21 ZINC000611254421 348432134 /nfs/dbraw/zinc/43/21/34/348432134.db2.gz ZTIUOAZQKQOWDN-UHFFFAOYSA-N 1 1 290.370 3.077 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c1C#N ZINC000611348171 348440272 /nfs/dbraw/zinc/44/02/72/348440272.db2.gz RKLIEYFPIUIZDW-KBPBESRZSA-N 1 1 294.402 3.283 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2C[C@@H](C)C[C@@H]2C)c1C#N ZINC000611348171 348440273 /nfs/dbraw/zinc/44/02/73/348440273.db2.gz RKLIEYFPIUIZDW-KBPBESRZSA-N 1 1 294.402 3.283 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2NCCC[NH+]1CCCC1 ZINC000611390122 348444349 /nfs/dbraw/zinc/44/43/49/348444349.db2.gz CVSCZISJKILOEY-SFHVURJKSA-N 1 1 283.419 3.011 20 30 CGEDMO CC[C@H](CN[C@H]1CCCc2cc(C#N)ccc21)[NH+]1CCCC1 ZINC000611390583 348444550 /nfs/dbraw/zinc/44/45/50/348444550.db2.gz JFWZPSGUKUCRIA-MJGOQNOKSA-N 1 1 297.446 3.400 20 30 CGEDMO C[C@H](CC#N)[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000611418498 348450523 /nfs/dbraw/zinc/45/05/23/348450523.db2.gz NASVHPBZCCGBQJ-GFCCVEGCSA-N 1 1 274.364 3.034 20 30 CGEDMO N#CC1(C[NH+]2CCC(OCc3ccc(F)cc3)CC2)CC1 ZINC000611432846 348451703 /nfs/dbraw/zinc/45/17/03/348451703.db2.gz APZJENSWCBKKAN-UHFFFAOYSA-N 1 1 288.366 3.110 20 30 CGEDMO COCC[C@H](c1ccccc1)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612157894 348497736 /nfs/dbraw/zinc/49/77/36/348497736.db2.gz FTULSUUZIMACTO-IAGOWNOFSA-N 1 1 272.392 3.390 20 30 CGEDMO Cc1ccccc1OCCC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612155140 348497863 /nfs/dbraw/zinc/49/78/63/348497863.db2.gz QLNIWGNILLCXBJ-KRWDZBQOSA-N 1 1 272.392 3.390 20 30 CGEDMO Cc1ccccc1OCCC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612155140 348497866 /nfs/dbraw/zinc/49/78/66/348497866.db2.gz QLNIWGNILLCXBJ-KRWDZBQOSA-N 1 1 272.392 3.390 20 30 CGEDMO C[C@]1(C#N)CCC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000612161838 348497870 /nfs/dbraw/zinc/49/78/70/348497870.db2.gz FWRHYHMGPVRYRM-QGZVFWFLSA-N 1 1 254.377 3.301 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000612161838 348497872 /nfs/dbraw/zinc/49/78/72/348497872.db2.gz FWRHYHMGPVRYRM-QGZVFWFLSA-N 1 1 254.377 3.301 20 30 CGEDMO COc1ccc([C@H](C)C[N@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612406457 348517302 /nfs/dbraw/zinc/51/73/02/348517302.db2.gz MTAVHQZODYONHO-PBHICJAKSA-N 1 1 272.392 3.424 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000612585690 348530245 /nfs/dbraw/zinc/53/02/45/348530245.db2.gz PDOJDSVNCGRCCZ-UHFFFAOYSA-N 1 1 295.386 3.300 20 30 CGEDMO CC(C)(C)c1ccc(C#N)c(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000613412159 348598135 /nfs/dbraw/zinc/59/81/35/348598135.db2.gz PZXCHXLEWQIHRF-HUUCEWRRSA-N 1 1 298.434 3.289 20 30 CGEDMO CC[C@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000614159635 348653484 /nfs/dbraw/zinc/65/34/84/348653484.db2.gz JUVYBOXGESSOFY-INIZCTEOSA-N 1 1 272.392 3.099 20 30 CGEDMO CC[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000614159635 348653487 /nfs/dbraw/zinc/65/34/87/348653487.db2.gz JUVYBOXGESSOFY-INIZCTEOSA-N 1 1 272.392 3.099 20 30 CGEDMO N#Cc1cccc(C2([NH2+]Cc3ccccc3C#N)CC2)c1 ZINC000339500822 215213844 /nfs/dbraw/zinc/21/38/44/215213844.db2.gz BMKDWVMJXDFQDT-UHFFFAOYSA-N 1 1 273.339 3.209 20 30 CGEDMO COCC[N@H+](CCC#N)C[C@@H](C)c1cccc(Cl)c1 ZINC000615113788 348715378 /nfs/dbraw/zinc/71/53/78/348715378.db2.gz AQZLMXNUCRYLTG-CYBMUJFWSA-N 1 1 280.799 3.306 20 30 CGEDMO COCC[N@@H+](CCC#N)C[C@@H](C)c1cccc(Cl)c1 ZINC000615113788 348715380 /nfs/dbraw/zinc/71/53/80/348715380.db2.gz AQZLMXNUCRYLTG-CYBMUJFWSA-N 1 1 280.799 3.306 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000614407721 348674763 /nfs/dbraw/zinc/67/47/63/348674763.db2.gz XSUQCDVTGPMWTL-GOSISDBHSA-N 1 1 284.403 3.258 20 30 CGEDMO CCn1ccc(C[N@H+](C)Cc2cc(C#N)ccc2OC)c1 ZINC000616786234 348877416 /nfs/dbraw/zinc/87/74/16/348877416.db2.gz PTZRQWDMYYOWNS-UHFFFAOYSA-N 1 1 283.375 3.020 20 30 CGEDMO CCn1ccc(C[N@@H+](C)Cc2cc(C#N)ccc2OC)c1 ZINC000616786234 348877418 /nfs/dbraw/zinc/87/74/18/348877418.db2.gz PTZRQWDMYYOWNS-UHFFFAOYSA-N 1 1 283.375 3.020 20 30 CGEDMO Cc1cc(C[NH2+]Cc2cc(C(C)C)no2)ccc1C#N ZINC000618193459 349061455 /nfs/dbraw/zinc/06/14/55/349061455.db2.gz FBPRZIMZSQUVMG-UHFFFAOYSA-N 1 1 269.348 3.268 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000625658924 350194209 /nfs/dbraw/zinc/19/42/09/350194209.db2.gz MURRAGYCOKSFHP-GJZGRUSLSA-N 1 1 295.373 3.471 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2csc([C@@H](C)OC)n2)C1 ZINC000625699959 350198169 /nfs/dbraw/zinc/19/81/69/350198169.db2.gz FPWNXTUTSNSLRB-NEPJUHHUSA-N 1 1 266.410 3.249 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2csc([C@@H](C)OC)n2)C1 ZINC000625699959 350198170 /nfs/dbraw/zinc/19/81/70/350198170.db2.gz FPWNXTUTSNSLRB-NEPJUHHUSA-N 1 1 266.410 3.249 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cncc(Br)c2)C1 ZINC000625700523 350198873 /nfs/dbraw/zinc/19/88/73/350198873.db2.gz JTKRMUCKNHVUOW-LLVKDONJSA-N 1 1 281.197 3.242 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CC(=O)N(C)[C@H](C)c2ccccc2)C1 ZINC000625703174 350199959 /nfs/dbraw/zinc/19/99/59/350199959.db2.gz YZCGKACIAGWMMF-CVEARBPZSA-N 1 1 286.419 3.104 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2nc3ccccc3n2CC)C1 ZINC000628405655 350529607 /nfs/dbraw/zinc/52/96/07/350529607.db2.gz QQGSRBMABQNLQB-AWEZNQCLSA-N 1 1 269.392 3.454 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000632368402 351195125 /nfs/dbraw/zinc/19/51/25/351195125.db2.gz HCECRTHWUNPSQL-HUUCEWRRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCN(Cc1ccccc1)C(=O)Cn1cc[nH+]c1C(C)C ZINC000635263342 351648081 /nfs/dbraw/zinc/64/80/81/351648081.db2.gz OILSXMNQSMDBQA-UHFFFAOYSA-N 1 1 297.402 3.221 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)[C@H](C)c1ccc(OC)cc1 ZINC000121870437 187002138 /nfs/dbraw/zinc/00/21/38/187002138.db2.gz IFMKZZZSXBDAJA-UKRRQHHQSA-N 1 1 263.381 3.015 20 30 CGEDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cccc(C#N)c1 ZINC000124193338 187126273 /nfs/dbraw/zinc/12/62/73/187126273.db2.gz CWUZRTKWIBWXCM-PBHICJAKSA-N 1 1 272.392 3.074 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1ccc(F)cc1Cl)C1CC1 ZINC000271463767 191151649 /nfs/dbraw/zinc/15/16/49/191151649.db2.gz QCPXSYRTEGTXJO-UHFFFAOYSA-N 1 1 282.746 3.068 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1ccc(F)cc1Cl)C1CC1 ZINC000271463767 191151651 /nfs/dbraw/zinc/15/16/51/191151651.db2.gz QCPXSYRTEGTXJO-UHFFFAOYSA-N 1 1 282.746 3.068 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)o1)Cc1ccc(C#N)cc1 ZINC000119256037 370659856 /nfs/dbraw/zinc/65/98/56/370659856.db2.gz SGUGTHHUNBRXQD-UHFFFAOYSA-N 1 1 279.343 3.435 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](CSC)C1 ZINC000292278971 198227988 /nfs/dbraw/zinc/22/79/88/198227988.db2.gz BPXTUULCKCCAIV-CQSZACIVSA-N 1 1 290.432 3.142 20 30 CGEDMO Cc1ccc(OC(F)F)c(C[NH2+]Cc2ccc(C#N)o2)c1 ZINC000152519434 188025467 /nfs/dbraw/zinc/02/54/67/188025467.db2.gz VWIJZSMTYAPKEH-UHFFFAOYSA-N 1 1 292.285 3.351 20 30 CGEDMO CC[C@@H]1CC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000292318453 198241903 /nfs/dbraw/zinc/24/19/03/198241903.db2.gz FEVCRBLOJVPSEN-GFCCVEGCSA-N 1 1 279.181 3.305 20 30 CGEDMO CC[C@@H]1CC[N@H+]1Cc1cc(C#N)ccc1Br ZINC000292318453 198241905 /nfs/dbraw/zinc/24/19/05/198241905.db2.gz FEVCRBLOJVPSEN-GFCCVEGCSA-N 1 1 279.181 3.305 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000156791900 188281845 /nfs/dbraw/zinc/28/18/45/188281845.db2.gz CDPMKONBYUWPIX-SJORKVTESA-N 1 1 275.367 3.127 20 30 CGEDMO C[C@@H]1C[C@@H]([N@@H+](C)CCCC#N)CCN1Cc1ccccc1 ZINC000156933711 188288884 /nfs/dbraw/zinc/28/88/84/188288884.db2.gz WIZLDUHPAMQQHT-AEFFLSMTSA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@@H]1C[C@@H](N(C)CCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000156933711 188288886 /nfs/dbraw/zinc/28/88/86/188288886.db2.gz WIZLDUHPAMQQHT-AEFFLSMTSA-N 1 1 285.435 3.275 20 30 CGEDMO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]C[C@H](C#N)CCC#N ZINC000157638809 188329554 /nfs/dbraw/zinc/32/95/54/188329554.db2.gz AKDRKFPCHCLBLH-JSGCOSHPSA-N 1 1 287.411 3.041 20 30 CGEDMO N#CCC[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000336216037 283052349 /nfs/dbraw/zinc/05/23/49/283052349.db2.gz XAYUUMXRPBRMHA-NSHDSACASA-N 1 1 283.144 3.079 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@@H]2CSc3ccccc32)o1 ZINC000336369991 213223038 /nfs/dbraw/zinc/22/30/38/213223038.db2.gz HDNSZQICEWKMGR-CYBMUJFWSA-N 1 1 256.330 3.088 20 30 CGEDMO N#C[C@H]1CC[C@@H]([N@H+]2Cc3ccccc3C3(CC3)C2)C1 ZINC000336573652 283066738 /nfs/dbraw/zinc/06/67/38/283066738.db2.gz VCKBYBNXNXQKGP-DZGCQCFKSA-N 1 1 252.361 3.226 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC1CCC(=O)CC1 ZINC000425530983 236257706 /nfs/dbraw/zinc/25/77/06/236257706.db2.gz GPMWVJDYHFLJKU-CYBMUJFWSA-N 1 1 270.376 3.310 20 30 CGEDMO CC1(C)CC[N@@H+](Cc2cc(C#N)cs2)CCS1 ZINC000336193749 213012662 /nfs/dbraw/zinc/01/26/62/213012662.db2.gz HEINQGVVRZDNNR-UHFFFAOYSA-N 1 1 266.435 3.337 20 30 CGEDMO C[C@H](CNc1c(C#N)cccc1C#N)[N@H+]1CCCC[C@@H]1C ZINC000436309476 237079960 /nfs/dbraw/zinc/07/99/60/237079960.db2.gz SGDWULPPPFSTAA-UONOGXRCSA-N 1 1 282.391 3.105 20 30 CGEDMO C[C@H]([N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1)C1(C)CC1 ZINC000177223057 189037648 /nfs/dbraw/zinc/03/76/48/189037648.db2.gz FPZPNMSQAAPHJR-LBPRGKRZSA-N 1 1 296.374 3.229 20 30 CGEDMO N#Cc1csc(C[NH2+][C@@H]2CCc3cc(Cl)ccc32)n1 ZINC000335870410 212637678 /nfs/dbraw/zinc/63/76/78/212637678.db2.gz LOPIZEQCBZBJTK-CYBMUJFWSA-N 1 1 289.791 3.445 20 30 CGEDMO CC[C@@H](C)C[N@@H+](CC)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000177859335 189074754 /nfs/dbraw/zinc/07/47/54/189074754.db2.gz NKSNDTOFQQTBBC-CYBMUJFWSA-N 1 1 298.390 3.476 20 30 CGEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)s2)C12CCC2 ZINC000180729149 189272375 /nfs/dbraw/zinc/27/23/75/189272375.db2.gz HLEWKVWORMIWIU-LSDHHAIUSA-N 1 1 290.432 3.399 20 30 CGEDMO CC(C)[N@@H+]1CCC[C@@H](CN[C@@H](C)c2ccc(C#N)cc2)C1 ZINC000181699856 189304305 /nfs/dbraw/zinc/30/43/05/189304305.db2.gz MYUFMWTXMDHLHQ-RDJZCZTQSA-N 1 1 285.435 3.329 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H](CN[C@@H](C)c2ccc(C#N)cc2)C1 ZINC000181699856 189304306 /nfs/dbraw/zinc/30/43/06/189304306.db2.gz MYUFMWTXMDHLHQ-RDJZCZTQSA-N 1 1 285.435 3.329 20 30 CGEDMO COC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccco1 ZINC000181848880 189307874 /nfs/dbraw/zinc/30/78/74/189307874.db2.gz RUSYNGBLAHRBJY-WFASDCNBSA-N 1 1 270.332 3.190 20 30 CGEDMO CC(C)C[N@H+]1CC[C@H](CNc2ccc(F)cc2C#N)C1 ZINC000301614076 201098287 /nfs/dbraw/zinc/09/82/87/201098287.db2.gz UHOLINPWAKQQPH-CYBMUJFWSA-N 1 1 275.371 3.087 20 30 CGEDMO CC[N@H+]1CCCC[C@@H]1CNc1cc(C#N)ccc1C(C)=O ZINC000302037560 201311814 /nfs/dbraw/zinc/31/18/14/201311814.db2.gz GEQYOYNPVKNHOF-OAHLLOKOSA-N 1 1 285.391 3.047 20 30 CGEDMO CC(C)[N@@H+](CCOc1ccccc1C#N)C1CCC1 ZINC000119728783 370702956 /nfs/dbraw/zinc/70/29/56/370702956.db2.gz PIPXFPOMQVVQHN-UHFFFAOYSA-N 1 1 258.365 3.200 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000120560964 370782009 /nfs/dbraw/zinc/78/20/09/370782009.db2.gz STRBXWFBXGXWSF-BETUJISGSA-N 1 1 258.365 3.045 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000121217390 370840367 /nfs/dbraw/zinc/84/03/67/370840367.db2.gz HBZZZOLCPIVSDX-QWHCGFSZSA-N 1 1 286.375 3.116 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@H](C)CCSC ZINC000121431833 370861225 /nfs/dbraw/zinc/86/12/25/370861225.db2.gz MVMYJFCTZPRTDA-GFCCVEGCSA-N 1 1 278.421 3.140 20 30 CGEDMO CCC1(C)CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459323414 242070205 /nfs/dbraw/zinc/07/02/05/242070205.db2.gz JBPLKBFSPGNOJJ-UHFFFAOYSA-N 1 1 287.363 3.479 20 30 CGEDMO CCC[C@@H]1CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459366149 242091933 /nfs/dbraw/zinc/09/19/33/242091933.db2.gz NDYSNZUAVHQLLS-CYBMUJFWSA-N 1 1 287.363 3.479 20 30 CGEDMO CCC[C@@H]1CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459366149 242091935 /nfs/dbraw/zinc/09/19/35/242091935.db2.gz NDYSNZUAVHQLLS-CYBMUJFWSA-N 1 1 287.363 3.479 20 30 CGEDMO CCOC[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000459713041 242190391 /nfs/dbraw/zinc/19/03/91/242190391.db2.gz NEAZNBYIEPGSFW-AWEZNQCLSA-N 1 1 276.355 3.088 20 30 CGEDMO CCOC[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1C#N ZINC000459713041 242190394 /nfs/dbraw/zinc/19/03/94/242190394.db2.gz NEAZNBYIEPGSFW-AWEZNQCLSA-N 1 1 276.355 3.088 20 30 CGEDMO C=CC[N@@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000121583347 370874948 /nfs/dbraw/zinc/87/49/48/370874948.db2.gz MVWMCGJMQMKHJO-UHFFFAOYSA-N 1 1 287.190 3.440 20 30 CGEDMO C=CC[N@@H+]1CC=C(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000125533887 370937259 /nfs/dbraw/zinc/93/72/59/370937259.db2.gz KUYVEQVPFQWENF-UHFFFAOYSA-N 1 1 268.360 3.452 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](CC)Cc1c(F)cccc1F ZINC000126265789 370944275 /nfs/dbraw/zinc/94/42/75/370944275.db2.gz GRGJOGDCDSFCJB-GFCCVEGCSA-N 1 1 269.335 3.114 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](CC)Cc1c(F)cccc1F ZINC000126265789 370944277 /nfs/dbraw/zinc/94/42/77/370944277.db2.gz GRGJOGDCDSFCJB-GFCCVEGCSA-N 1 1 269.335 3.114 20 30 CGEDMO Cc1ccccc1[C@H]1C[N@@H+](CCCCC#N)CCO1 ZINC000126214363 370944441 /nfs/dbraw/zinc/94/44/41/370944441.db2.gz CXNKDXFRVIVPQG-MRXNPFEDSA-N 1 1 258.365 3.062 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)C1CCCCC1 ZINC000019846856 368773165 /nfs/dbraw/zinc/77/31/65/368773165.db2.gz YIHHIAWGQXNPLK-UHFFFAOYSA-N 1 1 285.391 3.151 20 30 CGEDMO C[C@H]1CCC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000026468490 368859387 /nfs/dbraw/zinc/85/93/87/368859387.db2.gz MAQGNGTVHUTXTJ-XJKSGUPXSA-N 1 1 285.391 3.007 20 30 CGEDMO C[C@@H](NCC1([NH+](C)C)CCCCC1)c1cccc(C#N)c1 ZINC000037217011 369076522 /nfs/dbraw/zinc/07/65/22/369076522.db2.gz PJMMWPNCZNSYMV-OAHLLOKOSA-N 1 1 285.435 3.473 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](Cc1ccccc1F)C1CC1 ZINC000037485603 369084587 /nfs/dbraw/zinc/08/45/87/369084587.db2.gz VHPAKRSQQQIVRT-OAHLLOKOSA-N 1 1 263.356 3.117 20 30 CGEDMO C[N@@H+](CCCNc1ncccc1C#N)C1CCCCC1 ZINC000037859953 369119124 /nfs/dbraw/zinc/11/91/24/369119124.db2.gz NCJZOCCRZAEOPD-UHFFFAOYSA-N 1 1 272.396 3.020 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1ccc(Br)s1 ZINC000038018747 369142677 /nfs/dbraw/zinc/14/26/77/369142677.db2.gz WTWPWMJTDPXTEH-UHFFFAOYSA-N 1 1 266.591 3.353 20 30 CGEDMO CC(C)[N@H+](CCC#N)Cc1cccc2cccnc21 ZINC000042530607 369224271 /nfs/dbraw/zinc/22/42/71/369224271.db2.gz UODRLHOTKUOBIH-UHFFFAOYSA-N 1 1 253.349 3.359 20 30 CGEDMO CC(C)[N@@H+](CCC#N)Cc1cccc2cccnc21 ZINC000042530607 369224277 /nfs/dbraw/zinc/22/42/77/369224277.db2.gz UODRLHOTKUOBIH-UHFFFAOYSA-N 1 1 253.349 3.359 20 30 CGEDMO CC(C)C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000042556981 369225133 /nfs/dbraw/zinc/22/51/33/369225133.db2.gz OQTMTYZZLUNYKP-UHFFFAOYSA-N 1 1 285.391 3.007 20 30 CGEDMO CCc1nc(C)c(C[NH2+]Cc2ccc(C#N)c(C)c2)o1 ZINC000494359244 244284046 /nfs/dbraw/zinc/28/40/46/244284046.db2.gz RGAAZUPIZXYNRU-UHFFFAOYSA-N 1 1 269.348 3.015 20 30 CGEDMO CCCCC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C(C)C ZINC000047833888 369328566 /nfs/dbraw/zinc/32/85/66/369328566.db2.gz ZPOATSZJUTYEFU-UHFFFAOYSA-N 1 1 287.407 3.397 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]C[C@H](C)N(CC)CC ZINC000128215333 370960552 /nfs/dbraw/zinc/96/05/52/370960552.db2.gz SDCFFUMTQSTLOT-HNNXBMFYSA-N 1 1 276.424 3.071 20 30 CGEDMO CC[N@H+](CCC#N)Cc1ccc(Br)cc1C ZINC000127674040 370955927 /nfs/dbraw/zinc/95/59/27/370955927.db2.gz RNCYENUFXONFRZ-UHFFFAOYSA-N 1 1 281.197 3.493 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1ccc(Br)cc1C ZINC000127674040 370955932 /nfs/dbraw/zinc/95/59/32/370955932.db2.gz RNCYENUFXONFRZ-UHFFFAOYSA-N 1 1 281.197 3.493 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000054339177 369501231 /nfs/dbraw/zinc/50/12/31/369501231.db2.gz DNRJQCUTOGSFLA-KBPBESRZSA-N 1 1 286.202 3.459 20 30 CGEDMO C=CCC[N@H+](C)CCc1nc(-c2cccc(Cl)c2)no1 ZINC000276422472 193324645 /nfs/dbraw/zinc/32/46/45/193324645.db2.gz MQJQVJBOHBUPMM-UHFFFAOYSA-N 1 1 291.782 3.440 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1nccs1)CC1CCCCC1 ZINC000069859737 369773124 /nfs/dbraw/zinc/77/31/24/369773124.db2.gz IYXVLPFFRBNOQO-UHFFFAOYSA-N 1 1 293.436 3.150 20 30 CGEDMO CC[N@@H+](Cc1ccccc1C)C[C@@H](C#N)CCC#N ZINC000075733668 369916904 /nfs/dbraw/zinc/91/69/04/369916904.db2.gz ZYAWXYLWRAOSJZ-OAHLLOKOSA-N 1 1 255.365 3.260 20 30 CGEDMO CC[N@H+](Cc1ccccc1C)C[C@@H](C#N)CCC#N ZINC000075733668 369916907 /nfs/dbraw/zinc/91/69/07/369916907.db2.gz ZYAWXYLWRAOSJZ-OAHLLOKOSA-N 1 1 255.365 3.260 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000076737508 369941759 /nfs/dbraw/zinc/94/17/59/369941759.db2.gz NUDQEODGMVXCKB-UONOGXRCSA-N 1 1 292.398 3.289 20 30 CGEDMO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cnn(C)c1 ZINC000090664966 370063835 /nfs/dbraw/zinc/06/38/35/370063835.db2.gz RAGKQYFNGMVSII-CJNGLKHVSA-N 1 1 268.364 3.116 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C[C@H](C)C1 ZINC000091893221 370078997 /nfs/dbraw/zinc/07/89/97/370078997.db2.gz KDJISSJKLNAYLH-UONOGXRCSA-N 1 1 282.391 3.074 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)Cc1cncs1 ZINC000092505644 370098323 /nfs/dbraw/zinc/09/83/23/370098323.db2.gz STWCLAJTHALRIU-UHFFFAOYSA-N 1 1 258.390 3.374 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCCC[C@H](N2CCCC2)C1 ZINC000092785915 370100662 /nfs/dbraw/zinc/10/06/62/370100662.db2.gz PHEHGCFBMHLFLO-INIZCTEOSA-N 1 1 277.456 3.267 20 30 CGEDMO CC(C)(CCC#N)CN1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000092785915 370100667 /nfs/dbraw/zinc/10/06/67/370100667.db2.gz PHEHGCFBMHLFLO-INIZCTEOSA-N 1 1 277.456 3.267 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000092967620 370105728 /nfs/dbraw/zinc/10/57/28/370105728.db2.gz AHBZBONMILKYTM-QGZVFWFLSA-N 1 1 297.402 3.285 20 30 CGEDMO Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)o2)n1 ZINC000093453330 370134362 /nfs/dbraw/zinc/13/43/62/370134362.db2.gz ACQFUZKRFIAEPQ-MRXNPFEDSA-N 1 1 267.332 3.192 20 30 CGEDMO Cc1cccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)o2)n1 ZINC000093453330 370134365 /nfs/dbraw/zinc/13/43/65/370134365.db2.gz ACQFUZKRFIAEPQ-MRXNPFEDSA-N 1 1 267.332 3.192 20 30 CGEDMO CC(C)[N@@H+](CCc1nccs1)Cc1ccc(C#N)o1 ZINC000093764181 370158439 /nfs/dbraw/zinc/15/84/39/370158439.db2.gz KPSNBZRHYPSSSM-UHFFFAOYSA-N 1 1 275.377 3.061 20 30 CGEDMO CO[C@@]1(C)C[C@H]([N@@H+](C)CC(C)(C)CCC#N)C1(C)C ZINC000093871952 370165736 /nfs/dbraw/zinc/16/57/36/370165736.db2.gz IIIUWHACWXMBLQ-BBRMVZONSA-N 1 1 266.429 3.452 20 30 CGEDMO CC[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@@H](C)C(C)C ZINC000112660111 370440005 /nfs/dbraw/zinc/44/00/05/370440005.db2.gz GLJXHWCVNICAOA-AWEZNQCLSA-N 1 1 287.407 3.253 20 30 CGEDMO Cc1c(Br)cccc1C[NH+]1CCC(C#N)CC1 ZINC000131593191 371117676 /nfs/dbraw/zinc/11/76/76/371117676.db2.gz AMSIHQZYANTTMI-UHFFFAOYSA-N 1 1 293.208 3.493 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000133122544 371228560 /nfs/dbraw/zinc/22/85/60/371228560.db2.gz PFSOYOPEAGCNHD-CQSZACIVSA-N 1 1 261.365 3.417 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@@H]2C2CCC2)cc1C#N ZINC000135037414 371386092 /nfs/dbraw/zinc/38/60/92/371386092.db2.gz ZUUZORINWPIFNH-MRXNPFEDSA-N 1 1 270.376 3.331 20 30 CGEDMO C[N@H+](Cc1ccccc1C(C)(C)C#N)C[C@@H]1CCCO1 ZINC000135177456 371398978 /nfs/dbraw/zinc/39/89/78/371398978.db2.gz YUFNOXPEUBHBCX-HNNXBMFYSA-N 1 1 272.392 3.099 20 30 CGEDMO CN(C)[C@@H]1CCC[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135214885 371401885 /nfs/dbraw/zinc/40/18/85/371401885.db2.gz OVSYPUCWANGFDI-MRXNPFEDSA-N 1 1 285.435 3.014 20 30 CGEDMO CN(C)[C@@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135214885 371401890 /nfs/dbraw/zinc/40/18/90/371401890.db2.gz OVSYPUCWANGFDI-MRXNPFEDSA-N 1 1 285.435 3.014 20 30 CGEDMO CC[C@@H](CC#N)N[C@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000136959180 371488519 /nfs/dbraw/zinc/48/85/19/371488519.db2.gz XHAYOAAPEHSZPB-SZMVWBNQSA-N 1 1 285.435 3.179 20 30 CGEDMO CC[C@@H](CC#N)[NH2+][C@H]1C[C@H](C)CN(Cc2ccccc2)C1 ZINC000136959180 371488524 /nfs/dbraw/zinc/48/85/24/371488524.db2.gz XHAYOAAPEHSZPB-SZMVWBNQSA-N 1 1 285.435 3.179 20 30 CGEDMO C=C(C)CC[N@@H+]1CCn2c(C3CCCC3)nnc2[C@H]1C ZINC000286733044 371546773 /nfs/dbraw/zinc/54/67/73/371546773.db2.gz BSLHUJJPCROEBX-CYBMUJFWSA-N 1 1 274.412 3.279 20 30 CGEDMO C=C(C)CC[N@H+]1CCn2c(C3CCCC3)nnc2[C@H]1C ZINC000286733044 371546778 /nfs/dbraw/zinc/54/67/78/371546778.db2.gz BSLHUJJPCROEBX-CYBMUJFWSA-N 1 1 274.412 3.279 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000287437766 371656644 /nfs/dbraw/zinc/65/66/44/371656644.db2.gz PZIHVJSJKRGIDZ-UONOGXRCSA-N 1 1 291.395 3.414 20 30 CGEDMO C=CCCC[N@H+]1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000287437766 371656650 /nfs/dbraw/zinc/65/66/50/371656650.db2.gz PZIHVJSJKRGIDZ-UONOGXRCSA-N 1 1 291.395 3.414 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000289328438 371754181 /nfs/dbraw/zinc/75/41/81/371754181.db2.gz UPCYOMSTGMJBFO-QZTJIDSGSA-N 1 1 295.382 3.349 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000154038728 371812881 /nfs/dbraw/zinc/81/28/81/371812881.db2.gz MPEVPVQMHUAJRE-KRWDZBQOSA-N 1 1 293.370 3.299 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000154038728 371812889 /nfs/dbraw/zinc/81/28/89/371812889.db2.gz MPEVPVQMHUAJRE-KRWDZBQOSA-N 1 1 293.370 3.299 20 30 CGEDMO CCC[N@@H+](CCc1ccccn1)Cc1ccc(C#N)o1 ZINC000289930152 371855073 /nfs/dbraw/zinc/85/50/73/371855073.db2.gz WIOYYBBCBJFZQF-UHFFFAOYSA-N 1 1 269.348 3.001 20 30 CGEDMO C[N@@H+](CCCC(C)(C)C#N)CCOCc1ccccc1 ZINC000154611312 371861362 /nfs/dbraw/zinc/86/13/62/371861362.db2.gz PIBZVKODKFNKBG-UHFFFAOYSA-N 1 1 274.408 3.465 20 30 CGEDMO CCn1cc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cn1 ZINC000154369880 371840361 /nfs/dbraw/zinc/84/03/61/371840361.db2.gz ZQNNSRSBZADFNA-UHFFFAOYSA-N 1 1 282.391 3.185 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000155210271 371914292 /nfs/dbraw/zinc/91/42/92/371914292.db2.gz MRPUEBKSHDEJPP-AWEZNQCLSA-N 1 1 290.407 3.156 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCOc1cccc(C#N)c1 ZINC000155476009 371929542 /nfs/dbraw/zinc/92/95/42/371929542.db2.gz RMHXPOJVXOOAAN-UHFFFAOYSA-N 1 1 258.365 3.225 20 30 CGEDMO C=CCc1cc(C[N@H+]2CCC[C@@H](C)C2)cc(OC)c1O ZINC000157684018 372033058 /nfs/dbraw/zinc/03/30/58/372033058.db2.gz YOGBQJCKJNIWDI-CYBMUJFWSA-N 1 1 275.392 3.361 20 30 CGEDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000157215646 372012282 /nfs/dbraw/zinc/01/22/82/372012282.db2.gz IKSOLOYBPXQCNH-OAHLLOKOSA-N 1 1 297.373 3.446 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2cnc(N(C)C)n2C)CCCC1(C)C ZINC000425337726 372121841 /nfs/dbraw/zinc/12/18/41/372121841.db2.gz NRBANSYHPWOOCJ-HNNXBMFYSA-N 1 1 290.455 3.053 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000424749751 372097634 /nfs/dbraw/zinc/09/76/34/372097634.db2.gz FGPDCMZSKOQWRC-OAHLLOKOSA-N 1 1 288.435 3.225 20 30 CGEDMO CC#CC[N@@H+]1CC=C(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000159347219 372133648 /nfs/dbraw/zinc/13/36/48/372133648.db2.gz YCHPCRCMQHPJLK-UHFFFAOYSA-N 1 1 280.371 3.289 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000159579494 372157518 /nfs/dbraw/zinc/15/75/18/372157518.db2.gz AQPJNFRAOMIDFP-SFHVURJKSA-N 1 1 295.361 3.384 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000159579494 372157527 /nfs/dbraw/zinc/15/75/27/372157527.db2.gz AQPJNFRAOMIDFP-SFHVURJKSA-N 1 1 295.361 3.384 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCOc2ccc(F)cc2C1 ZINC000426507033 372161012 /nfs/dbraw/zinc/16/10/12/372161012.db2.gz IHRPBFMZXDVZHU-UHFFFAOYSA-N 1 1 276.355 3.350 20 30 CGEDMO CC[C@]1(CO)CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000426522122 372162076 /nfs/dbraw/zinc/16/20/76/372162076.db2.gz JEIBENSAZWPEJN-KRWDZBQOSA-N 1 1 291.822 3.176 20 30 CGEDMO CC[C@]1(CO)CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000426522122 372162079 /nfs/dbraw/zinc/16/20/79/372162079.db2.gz JEIBENSAZWPEJN-KRWDZBQOSA-N 1 1 291.822 3.176 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(C)=O)cc1 ZINC000426557581 372165386 /nfs/dbraw/zinc/16/53/86/372165386.db2.gz FYTLLIDNIBYFPR-MRXNPFEDSA-N 1 1 258.365 3.186 20 30 CGEDMO N#CCCCN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159317321 372130546 /nfs/dbraw/zinc/13/05/46/372130546.db2.gz MJJSCNWTVUFDNU-MOPGFXCFSA-N 1 1 297.446 3.277 20 30 CGEDMO C=CCN(C)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000428368964 372184679 /nfs/dbraw/zinc/18/46/79/372184679.db2.gz GQHLDNVRADGFNS-UHFFFAOYSA-N 1 1 260.425 3.262 20 30 CGEDMO C=CC[N@@H+](C)CC(C)(C)CN(C)Cc1ccccc1 ZINC000428368964 372184690 /nfs/dbraw/zinc/18/46/90/372184690.db2.gz GQHLDNVRADGFNS-UHFFFAOYSA-N 1 1 260.425 3.262 20 30 CGEDMO C=CC[N@H+](C)CC(C)(C)CN(C)Cc1ccccc1 ZINC000428368964 372184701 /nfs/dbraw/zinc/18/47/01/372184701.db2.gz GQHLDNVRADGFNS-UHFFFAOYSA-N 1 1 260.425 3.262 20 30 CGEDMO C[N@@H+](CCc1ccccc1)Cc1cccc(F)c1C#N ZINC000428448160 372203125 /nfs/dbraw/zinc/20/31/25/372203125.db2.gz QOUDKNXOGYAKRK-UHFFFAOYSA-N 1 1 268.335 3.372 20 30 CGEDMO C=CC[N@@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000428992126 372298828 /nfs/dbraw/zinc/29/88/28/372298828.db2.gz ADPOXMBMOAVDSX-NSHDSACASA-N 1 1 268.763 3.176 20 30 CGEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](CCC3CCCCC3)C2)nc1 ZINC000428793655 372263901 /nfs/dbraw/zinc/26/39/01/372263901.db2.gz LBZCSDRVCODFSF-KRWDZBQOSA-N 1 1 299.418 3.377 20 30 CGEDMO C=CC[N@H+](CCC#N)C[C@H]1CCc2ccccc2C1 ZINC000428886354 372279469 /nfs/dbraw/zinc/27/94/69/372279469.db2.gz YVVUPNVXFMUQNL-HNNXBMFYSA-N 1 1 254.377 3.193 20 30 CGEDMO C=CC[N@@H+](CCC#N)C[C@H]1CCc2ccccc2C1 ZINC000428886354 372279473 /nfs/dbraw/zinc/27/94/73/372279473.db2.gz YVVUPNVXFMUQNL-HNNXBMFYSA-N 1 1 254.377 3.193 20 30 CGEDMO COCC[N@@H+](Cc1cccc(F)c1C#N)[C@H]1CCC[C@@H]1C ZINC000428945169 372286992 /nfs/dbraw/zinc/28/69/92/372286992.db2.gz XGBCEZHMIZXALW-GUYCJALGSA-N 1 1 290.382 3.334 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)N1CC[N@H+]([C@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000429047254 372310267 /nfs/dbraw/zinc/31/02/67/372310267.db2.gz YLMWSCPWKMEUIT-OLMMMNRUSA-N 1 1 297.446 3.281 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+](C)Cc1nncn1C(C)C ZINC000429269876 372334110 /nfs/dbraw/zinc/33/41/10/372334110.db2.gz FBCUCEBEDDZACZ-ZDUSSCGKSA-N 1 1 250.390 3.036 20 30 CGEDMO C=CCCC[C@H](C)[N@H+](C)Cc1nncn1C(C)C ZINC000429269876 372334115 /nfs/dbraw/zinc/33/41/15/372334115.db2.gz FBCUCEBEDDZACZ-ZDUSSCGKSA-N 1 1 250.390 3.036 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)Cc1cccc(Cl)c1 ZINC000429721682 372377406 /nfs/dbraw/zinc/37/74/06/372377406.db2.gz KIRFCAXFYBFOEZ-UHFFFAOYSA-N 1 1 266.816 3.280 20 30 CGEDMO C=CC[N@@H+](C)CCN(CC)Cc1cccc(Cl)c1 ZINC000429721682 372377411 /nfs/dbraw/zinc/37/74/11/372377411.db2.gz KIRFCAXFYBFOEZ-UHFFFAOYSA-N 1 1 266.816 3.280 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)Cc1cccc(Cl)c1 ZINC000429721682 372377417 /nfs/dbraw/zinc/37/74/17/372377417.db2.gz KIRFCAXFYBFOEZ-UHFFFAOYSA-N 1 1 266.816 3.280 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)[C@@H](C)c1c(F)cccc1F ZINC000429710313 372377900 /nfs/dbraw/zinc/37/79/00/372377900.db2.gz VOLNLEMOOJWZKL-ZDUSSCGKSA-N 1 1 282.378 3.466 20 30 CGEDMO C=CC[NH+](CC=C)CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000052869446 541876882 /nfs/dbraw/zinc/87/68/82/541876882.db2.gz UXHNQRPTNLYGEH-ZDUSSCGKSA-N 1 1 292.810 3.191 20 30 CGEDMO CC[C@@H](C)[N@@H+](CCOCCC#N)Cc1ccccc1 ZINC000293627551 372429912 /nfs/dbraw/zinc/42/99/12/372429912.db2.gz WNMRXXXWXZNDCG-OAHLLOKOSA-N 1 1 260.381 3.217 20 30 CGEDMO CC[N@H+](Cc1ccc(C#N)cc1Cl)C[C@H]1CCCO1 ZINC000162879162 372431873 /nfs/dbraw/zinc/43/18/73/372431873.db2.gz XVNKILMPIHJWDN-CQSZACIVSA-N 1 1 278.783 3.213 20 30 CGEDMO CSc1ccc(OCC[N@H+](C)CC(C)(C)C#N)cc1 ZINC000433287592 372585321 /nfs/dbraw/zinc/58/53/21/372585321.db2.gz LXDGZZIVLVORAL-UHFFFAOYSA-N 1 1 278.421 3.269 20 30 CGEDMO CSc1ccc(OCC[N@@H+](C)CC(C)(C)C#N)cc1 ZINC000433287592 372585328 /nfs/dbraw/zinc/58/53/28/372585328.db2.gz LXDGZZIVLVORAL-UHFFFAOYSA-N 1 1 278.421 3.269 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](c3ccccc3)C[C@H]2C)C1=O ZINC000439318381 372976263 /nfs/dbraw/zinc/97/62/63/372976263.db2.gz QNNBMHAGLPLZDT-NXHRZFHOSA-N 1 1 298.430 3.041 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000439664453 372979939 /nfs/dbraw/zinc/97/99/39/372979939.db2.gz GENCBVZSGHTOHD-UXLLHSPISA-N 1 1 299.418 3.020 20 30 CGEDMO COc1ccc(Cn2c[nH+]c3c2C[C@@H](C)[C@@H](C)C3)cc1C#N ZINC000295913809 372955888 /nfs/dbraw/zinc/95/58/88/372955888.db2.gz JEOBUZZJYDVKKW-QWHCGFSZSA-N 1 1 295.386 3.182 20 30 CGEDMO C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)CC(C)(C)C ZINC000441431555 373011175 /nfs/dbraw/zinc/01/11/75/373011175.db2.gz CZZPIYFGTHDWOR-UHFFFAOYSA-N 1 1 284.363 3.086 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000442690093 373064323 /nfs/dbraw/zinc/06/43/23/373064323.db2.gz VKAQRYUFQZZWEY-QAPCUYQASA-N 1 1 297.446 3.283 20 30 CGEDMO C[C@H](c1cccc(N[C@H]2CC[C@@H](C#N)C2)c1)[NH+]1CCOCC1 ZINC000442863225 373109802 /nfs/dbraw/zinc/10/98/02/373109802.db2.gz WYWGIXCNAXKINH-RKVPGOIHSA-N 1 1 299.418 3.184 20 30 CGEDMO C[C@@H]1C[C@H](C)CN(C(C)(C)C[NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000442722663 373069524 /nfs/dbraw/zinc/06/95/24/373069524.db2.gz XXYBOFCHALXAKO-QKPAOTATSA-N 1 1 277.456 3.025 20 30 CGEDMO CC(C)C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C1CC1 ZINC000173518107 373151040 /nfs/dbraw/zinc/15/10/40/373151040.db2.gz TVPFWXMZNJJXAS-UHFFFAOYSA-N 1 1 296.374 3.229 20 30 CGEDMO C[C@H]1Cc2ccccc2C[N@H+]1CCCSCC#N ZINC000173899622 373213421 /nfs/dbraw/zinc/21/34/21/373213421.db2.gz REGSUBUNELQNJB-ZDUSSCGKSA-N 1 1 260.406 3.080 20 30 CGEDMO C=CCCC[N@@H+](C[C@@H](O)COc1ccccc1)C(C)C ZINC000444798451 373278901 /nfs/dbraw/zinc/27/89/01/373278901.db2.gz GABXOKRPDZKDRX-MRXNPFEDSA-N 1 1 277.408 3.103 20 30 CGEDMO CC(C)[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000444748190 373259125 /nfs/dbraw/zinc/25/91/25/373259125.db2.gz HIWWXIYMXHXGMV-GDBMZVCRSA-N 1 1 299.418 3.253 20 30 CGEDMO CC(C)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000444748192 373259363 /nfs/dbraw/zinc/25/93/63/373259363.db2.gz HIWWXIYMXHXGMV-HOCLYGCPSA-N 1 1 299.418 3.253 20 30 CGEDMO C=CC[C@H]1[N@H+](C[C@H](O)CC(F)(F)F)CCCC1(C)C ZINC000444776247 373269387 /nfs/dbraw/zinc/26/93/87/373269387.db2.gz OXHAVLFATGAVAB-VXGBXAGGSA-N 1 1 279.346 3.366 20 30 CGEDMO CCc1ccc([C@@H](COC)[NH2+]Cc2ccc(C#N)cc2)o1 ZINC000174479296 373323294 /nfs/dbraw/zinc/32/32/94/373323294.db2.gz UAXLDKJAMRPKCK-MRXNPFEDSA-N 1 1 284.359 3.191 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000299375328 373523518 /nfs/dbraw/zinc/52/35/18/373523518.db2.gz LZNHXTWBJSMCBS-BEFAXECRSA-N 1 1 294.398 3.155 20 30 CGEDMO CC(C)(C)C[C@@H]1CC[N@@H+](CCCSCC#N)C1 ZINC000448555806 373590891 /nfs/dbraw/zinc/59/08/91/373590891.db2.gz VMDYEBIAWXZBDO-ZDUSSCGKSA-N 1 1 254.443 3.391 20 30 CGEDMO CCCC[N@H+]1CCCC[C@H]1CNc1ccc(C#N)cn1 ZINC000301062922 373644474 /nfs/dbraw/zinc/64/44/74/373644474.db2.gz AMBVGPUUEZSMJB-HNNXBMFYSA-N 1 1 272.396 3.020 20 30 CGEDMO C#CCN(CC)C(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000299688177 373600318 /nfs/dbraw/zinc/60/03/18/373600318.db2.gz LEGBNMMLHJOFKA-UHFFFAOYSA-N 1 1 286.419 3.012 20 30 CGEDMO C=CCCCC[C@@H](C)[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000449077457 373659708 /nfs/dbraw/zinc/65/97/08/373659708.db2.gz RUNJYQKFRSLKAR-HUUCEWRRSA-N 1 1 250.430 3.195 20 30 CGEDMO C=C(C)C[N@@H+](Cc1c(C)nnn1CC)Cc1ccccc1 ZINC000449293048 373676743 /nfs/dbraw/zinc/67/67/43/373676743.db2.gz GEPQFILTLIAQJP-UHFFFAOYSA-N 1 1 284.407 3.185 20 30 CGEDMO C=C(C)C[N@H+](Cc1c(C)nnn1CC)Cc1ccccc1 ZINC000449293048 373676759 /nfs/dbraw/zinc/67/67/59/373676759.db2.gz GEPQFILTLIAQJP-UHFFFAOYSA-N 1 1 284.407 3.185 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCNc1cc(Cl)ccc1C#N ZINC000301266963 373718290 /nfs/dbraw/zinc/71/82/90/373718290.db2.gz ICZNIBJPPYTZGZ-GFCCVEGCSA-N 1 1 277.799 3.498 20 30 CGEDMO N#Cc1cccc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000301292162 373732606 /nfs/dbraw/zinc/73/26/06/373732606.db2.gz VFPRFYVKEMCRDR-QGZVFWFLSA-N 1 1 292.386 3.030 20 30 CGEDMO C=CCC[C@@H]([NH2+]CCCN1CCCCC1)C1CC1 ZINC000178672991 373804707 /nfs/dbraw/zinc/80/47/07/373804707.db2.gz DFLBNGWGUGZZSH-MRXNPFEDSA-N 1 1 250.430 3.197 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@H](OC)C(C)(C)C1 ZINC000449506196 373804907 /nfs/dbraw/zinc/80/49/07/373804907.db2.gz YPIZWZZQAULTCA-KRWDZBQOSA-N 1 1 289.419 3.498 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@@H](OC)[C@H](C)C1 ZINC000449510986 373811027 /nfs/dbraw/zinc/81/10/27/373811027.db2.gz YANSBIBDCCCXFO-GDBMZVCRSA-N 1 1 275.392 3.108 20 30 CGEDMO CC[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000178911201 373816540 /nfs/dbraw/zinc/81/65/40/373816540.db2.gz NXMDARWKLSJUFO-UHFFFAOYSA-N 1 1 283.293 3.421 20 30 CGEDMO C=CCOc1cccc(CN(C)[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000449785964 373918929 /nfs/dbraw/zinc/91/89/29/373918929.db2.gz KGECURNJCDCYGZ-KRWDZBQOSA-N 1 1 288.435 3.166 20 30 CGEDMO N#CCCCC[N@@H+](Cc1ccco1)Cc1cccnc1 ZINC000180467416 374011347 /nfs/dbraw/zinc/01/13/47/374011347.db2.gz GZUHWDQKYLWLKL-UHFFFAOYSA-N 1 1 269.348 3.371 20 30 CGEDMO CCc1cc(CCC[N@@H+](CCC#N)CC(C)(C)C)on1 ZINC000450427208 374120350 /nfs/dbraw/zinc/12/03/50/374120350.db2.gz DYQUMYGOMDXVQL-UHFFFAOYSA-N 1 1 277.412 3.431 20 30 CGEDMO C[C@@H]1[C@@H](Nc2cccc(Cl)c2C#N)CCC[N@H+]1C ZINC000450434201 374127567 /nfs/dbraw/zinc/12/75/67/374127567.db2.gz GCEYGPGGFPNIPW-MFKMUULPSA-N 1 1 263.772 3.106 20 30 CGEDMO N#CC1(C[N@H+](Cc2cccc(O)c2)CC2CC2)CCC1 ZINC000450401786 374104600 /nfs/dbraw/zinc/10/46/00/374104600.db2.gz HTVXZCSVTOLIOA-UHFFFAOYSA-N 1 1 270.376 3.298 20 30 CGEDMO N#CC1(C[N@@H+](Cc2cccc(O)c2)CC2CC2)CCC1 ZINC000450401786 374104607 /nfs/dbraw/zinc/10/46/07/374104607.db2.gz HTVXZCSVTOLIOA-UHFFFAOYSA-N 1 1 270.376 3.298 20 30 CGEDMO C=C(Br)C[N@H+](C)CCCOCc1ccccc1 ZINC000307661021 374150701 /nfs/dbraw/zinc/15/07/01/374150701.db2.gz VETIIPDFBDINOF-UHFFFAOYSA-N 1 1 298.224 3.434 20 30 CGEDMO C=C(Br)C[N@@H+](C)CCCOCc1ccccc1 ZINC000307661021 374150709 /nfs/dbraw/zinc/15/07/09/374150709.db2.gz VETIIPDFBDINOF-UHFFFAOYSA-N 1 1 298.224 3.434 20 30 CGEDMO CC(C)(C)C[C@H]1CC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000307778460 374152409 /nfs/dbraw/zinc/15/24/09/374152409.db2.gz QZXMFQUQHBUKNW-CQSZACIVSA-N 1 1 257.381 3.211 20 30 CGEDMO N#Cc1ccc(F)c(C[NH+]2CCC(C(F)F)CC2)c1 ZINC000307882222 374154468 /nfs/dbraw/zinc/15/44/68/374154468.db2.gz SMIGNRYMUKKVGI-UHFFFAOYSA-N 1 1 268.282 3.174 20 30 CGEDMO N#CC1(C[N@H+](CCc2ccccc2)[C@H]2CCOC2)CCC1 ZINC000450489801 374155108 /nfs/dbraw/zinc/15/51/08/374155108.db2.gz RGOHXOGIEBQGDH-KRWDZBQOSA-N 1 1 284.403 3.014 20 30 CGEDMO N#CC1(C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)CCC1 ZINC000450489801 374155119 /nfs/dbraw/zinc/15/51/19/374155119.db2.gz RGOHXOGIEBQGDH-KRWDZBQOSA-N 1 1 284.403 3.014 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000450691763 374172330 /nfs/dbraw/zinc/17/23/30/374172330.db2.gz ALXJSQDXVYIJBX-QFBILLFUSA-N 1 1 299.414 3.475 20 30 CGEDMO CC#CC[NH2+]C(c1cccc(OC)c1)c1cccc(OC)c1 ZINC000182308934 374256320 /nfs/dbraw/zinc/25/63/20/374256320.db2.gz LTCOPISJPNDRFP-UHFFFAOYSA-N 1 1 295.382 3.406 20 30 CGEDMO COc1ccccc1CCC[N@@H+](CCC#N)CC1CC1 ZINC000182530186 374288159 /nfs/dbraw/zinc/28/81/59/374288159.db2.gz YIICTSWWURWRLX-UHFFFAOYSA-N 1 1 272.392 3.253 20 30 CGEDMO Cc1ccc(Br)cc1C[N@@H+](C)C[C@@H](C)C#N ZINC000313768778 374306623 /nfs/dbraw/zinc/30/66/23/374306623.db2.gz NVFLUAOTXRIUQC-JTQLQIEISA-N 1 1 281.197 3.349 20 30 CGEDMO Cc1ccc(Br)cc1C[N@H+](C)C[C@@H](C)C#N ZINC000313768778 374306630 /nfs/dbraw/zinc/30/66/30/374306630.db2.gz NVFLUAOTXRIUQC-JTQLQIEISA-N 1 1 281.197 3.349 20 30 CGEDMO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]C[C@@H](C)C#N ZINC000183838603 374464060 /nfs/dbraw/zinc/46/40/60/374464060.db2.gz ZNLMUTMVDBTNSP-AWEZNQCLSA-N 1 1 296.418 3.106 20 30 CGEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C(C)(C)C1 ZINC000330976619 374494040 /nfs/dbraw/zinc/49/40/40/374494040.db2.gz FMLDTCMQOMLGHL-ZDUSSCGKSA-N 1 1 285.391 3.007 20 30 CGEDMO CCCc1ncc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)o1 ZINC000453381383 374467377 /nfs/dbraw/zinc/46/73/77/374467377.db2.gz LNHLVVOXWGYTSD-LBPRGKRZSA-N 1 1 269.348 3.350 20 30 CGEDMO CC[C@@H]1[C@@H](C)CC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000185597449 374694979 /nfs/dbraw/zinc/69/49/79/374694979.db2.gz VALANRPMBSCOFF-XJKSGUPXSA-N 1 1 285.391 3.007 20 30 CGEDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000185598373 374695292 /nfs/dbraw/zinc/69/52/92/374695292.db2.gz XUAQLYHHXNGUAY-IUODEOHRSA-N 1 1 296.374 3.229 20 30 CGEDMO N#C[C@@H]1CCC[C@@H](Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000185736242 374726497 /nfs/dbraw/zinc/72/64/97/374726497.db2.gz NRTQWUNAZHILDC-SJLPKXTDSA-N 1 1 299.418 3.013 20 30 CGEDMO C[C@@H]1CCC[C@@H]([N@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459299697 374802801 /nfs/dbraw/zinc/80/28/01/374802801.db2.gz LEOUCLKXQUKOCK-TZMCWYRMSA-N 1 1 287.363 3.477 20 30 CGEDMO C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459299697 374802810 /nfs/dbraw/zinc/80/28/10/374802810.db2.gz LEOUCLKXQUKOCK-TZMCWYRMSA-N 1 1 287.363 3.477 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(O)cc(F)c1 ZINC000186179930 374810827 /nfs/dbraw/zinc/81/08/27/374810827.db2.gz OMGNCPPCXGJVGL-UHFFFAOYSA-N 1 1 270.307 3.035 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(O)cc(F)c1 ZINC000186179930 374810833 /nfs/dbraw/zinc/81/08/33/374810833.db2.gz OMGNCPPCXGJVGL-UHFFFAOYSA-N 1 1 270.307 3.035 20 30 CGEDMO Cc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)c(C)n1 ZINC000186495192 374860975 /nfs/dbraw/zinc/86/09/75/374860975.db2.gz KTPRPEPEAIIVKK-UHFFFAOYSA-N 1 1 265.360 3.202 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)NC[C@H](c1ccccc1)C(C)C ZINC000467294813 374973775 /nfs/dbraw/zinc/97/37/75/374973775.db2.gz DOIMOJDXOMNLLK-KRWDZBQOSA-N 1 1 288.435 3.050 20 30 CGEDMO C=CCC[N@H+](C)CCOc1ccc(C(=O)OC)cc1Cl ZINC000467283831 374974511 /nfs/dbraw/zinc/97/45/11/374974511.db2.gz MFTZJPAIZKVWMT-UHFFFAOYSA-N 1 1 297.782 3.013 20 30 CGEDMO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000470950962 375001089 /nfs/dbraw/zinc/00/10/89/375001089.db2.gz ZYCHJMZCOGLGAF-SMDDNHRTSA-N 1 1 285.284 3.450 20 30 CGEDMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000470950962 375001098 /nfs/dbraw/zinc/00/10/98/375001098.db2.gz ZYCHJMZCOGLGAF-SMDDNHRTSA-N 1 1 285.284 3.450 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000472775665 375033121 /nfs/dbraw/zinc/03/31/21/375033121.db2.gz SJLGALNYJPXZIZ-QZTJIDSGSA-N 1 1 273.420 3.411 20 30 CGEDMO CCC[N@@H+](C)C[C@@H]1CCN([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187705800 375077695 /nfs/dbraw/zinc/07/76/95/375077695.db2.gz CTOZZHCFGUCHFU-RDJZCZTQSA-N 1 1 285.435 3.283 20 30 CGEDMO CC(C)CO[C@@H]1CC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187714082 375079517 /nfs/dbraw/zinc/07/95/17/375079517.db2.gz QNKLDVSKAOBOCN-WMLDXEAASA-N 1 1 272.392 3.366 20 30 CGEDMO N#Cc1ccc2c(c1)[C@H]([NH2+]C1CCN(C3CCC3)CC1)CC2 ZINC000335052165 375092877 /nfs/dbraw/zinc/09/28/77/375092877.db2.gz IAEVIZYZMYPPEV-LJQANCHMSA-N 1 1 295.430 3.152 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(c2cc(C)ccc2F)C1=O ZINC000481298949 375163857 /nfs/dbraw/zinc/16/38/57/375163857.db2.gz DBLLVGIZZPCZEU-OAHLLOKOSA-N 1 1 290.382 3.137 20 30 CGEDMO Fc1ccc(C#CC[N@@H+](CC2CC2)C2CCC2)cc1 ZINC000483297655 375177801 /nfs/dbraw/zinc/17/78/01/375177801.db2.gz SVZVATGDZPFQNJ-UHFFFAOYSA-N 1 1 257.352 3.442 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cc2c(cc(C)cc2C)[nH]1 ZINC000483419272 375179897 /nfs/dbraw/zinc/17/98/97/375179897.db2.gz HUWADAZIYIBJDO-UHFFFAOYSA-N 1 1 272.392 3.419 20 30 CGEDMO C=CC[N@H+](CC(=O)N[C@@H](C)C(C)C)CC1CCCCC1 ZINC000484513485 375189047 /nfs/dbraw/zinc/18/90/47/375189047.db2.gz KBHZXLNDRZGFLL-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CC[C@@H](C)O1 ZINC000188544026 375228079 /nfs/dbraw/zinc/22/80/79/375228079.db2.gz UJZWQDLFAXITBG-RHSMWYFYSA-N 1 1 272.392 3.336 20 30 CGEDMO CCOC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000487864222 375278641 /nfs/dbraw/zinc/27/86/41/375278641.db2.gz YJNMZEFRIFFILM-MRXNPFEDSA-N 1 1 272.392 3.115 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)s1 ZINC000335420692 375278720 /nfs/dbraw/zinc/27/87/20/375278720.db2.gz DBKCOVSOMJPEKC-SWLSCSKDSA-N 1 1 276.405 3.011 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000335378537 375267342 /nfs/dbraw/zinc/26/73/42/375267342.db2.gz HAMTVGRCAWEHOR-RHSMWYFYSA-N 1 1 288.366 3.088 20 30 CGEDMO CC1=C(c2ccco2)C[N@H+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000335767440 375413085 /nfs/dbraw/zinc/41/30/85/375413085.db2.gz MPMXVBCUSJCTKV-ZIAGYGMSSA-N 1 1 256.349 3.451 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC3(C2)CCOCC3)c(Cl)c1 ZINC000335770236 375415865 /nfs/dbraw/zinc/41/58/65/375415865.db2.gz IQXICSLSHHUVLC-UHFFFAOYSA-N 1 1 290.794 3.214 20 30 CGEDMO Cn1cccc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000335854587 375485878 /nfs/dbraw/zinc/48/58/78/375485878.db2.gz OTFUNFNHEVBYQU-UHFFFAOYSA-N 1 1 277.371 3.186 20 30 CGEDMO C=C(CC)C[N@@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000494485929 375488355 /nfs/dbraw/zinc/48/83/55/375488355.db2.gz NRQXRBMRRCRPEI-UHFFFAOYSA-N 1 1 282.428 3.284 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000495708235 375501367 /nfs/dbraw/zinc/50/13/67/375501367.db2.gz UZTCBBJVPTUKAV-HNNXBMFYSA-N 1 1 294.439 3.027 20 30 CGEDMO Cn1cc(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)cc1C#N ZINC000191196535 375595053 /nfs/dbraw/zinc/59/50/53/375595053.db2.gz FTMLPDOMCZPJAS-UHFFFAOYSA-N 1 1 295.361 3.325 20 30 CGEDMO C[C@H]1[N@@H+](Cc2ccc(C#N)s2)CCC12CCOCC2 ZINC000336010448 375614280 /nfs/dbraw/zinc/61/42/80/375614280.db2.gz YJAMMAXORVEHJT-GFCCVEGCSA-N 1 1 276.405 3.011 20 30 CGEDMO Cc1ccccc1[C@@H]1CC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000336009982 375615128 /nfs/dbraw/zinc/61/51/28/375615128.db2.gz JUWCEGLJPJDDDM-CYBMUJFWSA-N 1 1 283.400 3.313 20 30 CGEDMO Cc1ccccc1[C@@H]1CC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000336009982 375615133 /nfs/dbraw/zinc/61/51/33/375615133.db2.gz JUWCEGLJPJDDDM-CYBMUJFWSA-N 1 1 283.400 3.313 20 30 CGEDMO CCCC1CCC([N@@H+](C)CCC(=O)N(C)CCC#N)CC1 ZINC000191422973 375626779 /nfs/dbraw/zinc/62/67/79/375626779.db2.gz YBGFCNSVRLSFLM-UHFFFAOYSA-N 1 1 293.455 3.039 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@@](F)(c2ccccc2C)C1 ZINC000502874736 375648670 /nfs/dbraw/zinc/64/86/70/375648670.db2.gz IFWQSHIHBQSWGU-RDJZCZTQSA-N 1 1 277.383 3.193 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccc(F)c(Cl)c1 ZINC000191758139 375659034 /nfs/dbraw/zinc/65/90/34/375659034.db2.gz HQLYAURCWZIZBY-UHFFFAOYSA-N 1 1 257.736 3.114 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)N[C@@H](C)CCC ZINC000502466840 375645594 /nfs/dbraw/zinc/64/55/94/375645594.db2.gz IHVNYYLLDAVBMN-HOTGVXAUSA-N 1 1 288.435 3.368 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)N[C@@H](C)CCC ZINC000502466840 375645604 /nfs/dbraw/zinc/64/56/04/375645604.db2.gz IHVNYYLLDAVBMN-HOTGVXAUSA-N 1 1 288.435 3.368 20 30 CGEDMO CC[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CCS1 ZINC000192049359 375693618 /nfs/dbraw/zinc/69/36/18/375693618.db2.gz SVYSHXAGOVLCQB-CYBMUJFWSA-N 1 1 264.369 3.025 20 30 CGEDMO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CCS1 ZINC000192049359 375693621 /nfs/dbraw/zinc/69/36/21/375693621.db2.gz SVYSHXAGOVLCQB-CYBMUJFWSA-N 1 1 264.369 3.025 20 30 CGEDMO CC[N@@H+](Cc1ccnc(C)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000507334756 375696957 /nfs/dbraw/zinc/69/69/57/375696957.db2.gz RRJRFHOHNXXRKR-CYBMUJFWSA-N 1 1 280.375 3.240 20 30 CGEDMO N#Cc1ccc(C[N@H+](Cc2ccncc2)C2CC2)cc1F ZINC000192133666 375701200 /nfs/dbraw/zinc/70/12/00/375701200.db2.gz FXXHZTRSDWEZSB-UHFFFAOYSA-N 1 1 281.334 3.257 20 30 CGEDMO N#Cc1ccc(C[N@@H+](Cc2ccncc2)C2CC2)cc1F ZINC000192133666 375701205 /nfs/dbraw/zinc/70/12/05/375701205.db2.gz FXXHZTRSDWEZSB-UHFFFAOYSA-N 1 1 281.334 3.257 20 30 CGEDMO COCc1ccccc1/C=C(\C)C[N@H+](C)C[C@H](C)C#N ZINC000507580609 375715401 /nfs/dbraw/zinc/71/54/01/375715401.db2.gz HBCMQJKHGKQFAY-AAWPKVBNSA-N 1 1 272.392 3.328 20 30 CGEDMO COCc1ccccc1/C=C(\C)C[N@@H+](C)C[C@H](C)C#N ZINC000507580609 375715408 /nfs/dbraw/zinc/71/54/08/375715408.db2.gz HBCMQJKHGKQFAY-AAWPKVBNSA-N 1 1 272.392 3.328 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)C2CC(OCC)C2)cc1 ZINC000516514356 375820721 /nfs/dbraw/zinc/82/07/21/375820721.db2.gz QXEXQOYVNLXFAW-UHFFFAOYSA-N 1 1 275.392 3.251 20 30 CGEDMO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1nnc2ccccn21 ZINC000192982419 375811997 /nfs/dbraw/zinc/81/19/97/375811997.db2.gz ZXHHJRNLDNKZAA-QWHCGFSZSA-N 1 1 291.358 3.013 20 30 CGEDMO C[C@H]1COc2ccccc2C[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000515473108 375812832 /nfs/dbraw/zinc/81/28/32/375812832.db2.gz VORJJQFWFDIACX-HNNXBMFYSA-N 1 1 295.357 3.460 20 30 CGEDMO C[C@H]1COc2ccccc2C[N@H+]1CC#Cc1ccc(F)cc1 ZINC000515473108 375812834 /nfs/dbraw/zinc/81/28/34/375812834.db2.gz VORJJQFWFDIACX-HNNXBMFYSA-N 1 1 295.357 3.460 20 30 CGEDMO C=CCCCCC[N@@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000193449442 375879850 /nfs/dbraw/zinc/87/98/50/375879850.db2.gz AQZYJSHEZNCELL-BZUAXINKSA-N 1 1 267.413 3.001 20 30 CGEDMO CCCCC[N@@H+](CC(=O)NC1(C#N)CCC1)[C@@H](C)CCC ZINC000526291305 375890590 /nfs/dbraw/zinc/89/05/90/375890590.db2.gz UKSQJCSQAUALIV-HNNXBMFYSA-N 1 1 293.455 3.230 20 30 CGEDMO COC(C)(C)C[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000533479332 375955679 /nfs/dbraw/zinc/95/56/79/375955679.db2.gz SHWRVMDGXRTRQI-UHFFFAOYSA-N 1 1 265.784 3.048 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@H]1CCC(F)(F)C1 ZINC000336797325 375945115 /nfs/dbraw/zinc/94/51/15/375945115.db2.gz LVSMCCJSQLTKGJ-AWEZNQCLSA-N 1 1 264.319 3.425 20 30 CGEDMO C=CCN1CC[C@@H]([N@@H+](C)Cc2cccc3ccccc32)C1=O ZINC000337125680 376085472 /nfs/dbraw/zinc/08/54/72/376085472.db2.gz FEZRPVUAWIXOLE-GOSISDBHSA-N 1 1 294.398 3.059 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1sccc1C ZINC000337329769 376212757 /nfs/dbraw/zinc/21/27/57/376212757.db2.gz FXGDMLGXLYFFNA-AWEZNQCLSA-N 1 1 292.448 3.077 20 30 CGEDMO CC(C)C[N@@H+](CCc1ccccc1)CC1(C#N)CC1 ZINC000539456014 376313133 /nfs/dbraw/zinc/31/31/33/376313133.db2.gz LESIJWYJQMGHSC-UHFFFAOYSA-N 1 1 256.393 3.491 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000539105297 376295165 /nfs/dbraw/zinc/29/51/65/376295165.db2.gz UFUVGULCIYGNLY-KRWDZBQOSA-N 1 1 259.393 3.491 20 30 CGEDMO C=CCCC[C@@H](C)NC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000539389575 376306037 /nfs/dbraw/zinc/30/60/37/376306037.db2.gz MWDOCHUIXUJNRX-CABCVRRESA-N 1 1 293.455 3.047 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1ccc2[nH]cnc2c1 ZINC000540918948 376404859 /nfs/dbraw/zinc/40/48/59/376404859.db2.gz RQNZOTKPHABUHY-UHFFFAOYSA-N 1 1 281.359 3.387 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc2nc[nH]c2c1 ZINC000540918948 376404870 /nfs/dbraw/zinc/40/48/70/376404870.db2.gz RQNZOTKPHABUHY-UHFFFAOYSA-N 1 1 281.359 3.387 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1ccc2nc[nH]c2c1 ZINC000540918948 376404881 /nfs/dbraw/zinc/40/48/81/376404881.db2.gz RQNZOTKPHABUHY-UHFFFAOYSA-N 1 1 281.359 3.387 20 30 CGEDMO C=CCC[N@H+](CCC)C[C@H]1COc2ccccc2O1 ZINC000338549225 376424049 /nfs/dbraw/zinc/42/40/49/376424049.db2.gz OFBWKXNBBLQOPO-AWEZNQCLSA-N 1 1 261.365 3.115 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000540339792 376370643 /nfs/dbraw/zinc/37/06/43/376370643.db2.gz ADMRTTRLVDUDCY-HRCADAONSA-N 1 1 251.414 3.480 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@H]3CCC[C@H]32)cc1C#N ZINC000228163839 376430364 /nfs/dbraw/zinc/43/03/64/376430364.db2.gz ZJHCYMIRCLKDRK-GDBMZVCRSA-N 1 1 270.376 3.331 20 30 CGEDMO CO[C@]1(C)CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000230265107 376498266 /nfs/dbraw/zinc/49/82/66/376498266.db2.gz JTWJFJGBHXMPOA-OAHLLOKOSA-N 1 1 278.783 3.213 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@H]1c1cc(OC)ccc1OC ZINC000338919116 376575576 /nfs/dbraw/zinc/57/55/76/376575576.db2.gz NNRWYWSIQAJKHG-INIZCTEOSA-N 1 1 291.391 3.043 20 30 CGEDMO C=CCOCC[N@H+](Cc1ccccc1)CC1CCC1 ZINC000338922657 376577996 /nfs/dbraw/zinc/57/79/96/376577996.db2.gz BJRKCVVEATZJRB-UHFFFAOYSA-N 1 1 259.393 3.491 20 30 CGEDMO CCc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CC#N)CC1 ZINC000542883462 376589138 /nfs/dbraw/zinc/58/91/38/376589138.db2.gz MUHVXERPKUDFEE-AWEZNQCLSA-N 1 1 299.418 3.202 20 30 CGEDMO C[C@H]1C[N@@H+](CCCCC(C)(C)C#N)CC(C)(C)O1 ZINC000235586328 376646426 /nfs/dbraw/zinc/64/64/26/376646426.db2.gz SHRCSBJWBXXBHZ-ZDUSSCGKSA-N 1 1 252.402 3.206 20 30 CGEDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000235556661 376647208 /nfs/dbraw/zinc/64/72/08/376647208.db2.gz RCXDJZNIASELMM-BBRMVZONSA-N 1 1 290.382 3.213 20 30 CGEDMO C[C@@H]1C[N@@H+](CCOc2ccc(C#N)cc2)[C@@H]2CCCC[C@@H]21 ZINC000543903034 376686891 /nfs/dbraw/zinc/68/68/91/376686891.db2.gz MNPKDJBVFAQOIA-ZTFGCOKTSA-N 1 1 284.403 3.448 20 30 CGEDMO CC(C)[C@@H](C[NH2+]Cc1ccc(C#N)cc1)N1CCC(C)CC1 ZINC000236728282 376688427 /nfs/dbraw/zinc/68/84/27/376688427.db2.gz MCFOUVHCDZOCIA-LJQANCHMSA-N 1 1 299.462 3.404 20 30 CGEDMO C=CCOCC[N@@H+]1CCc2cc(Br)ccc2C1 ZINC000339122291 376694394 /nfs/dbraw/zinc/69/43/94/376694394.db2.gz JYZIQCUZBUCWQX-UHFFFAOYSA-N 1 1 296.208 3.010 20 30 CGEDMO C=CCOCC[N@H+]1CCc2cc(Br)ccc2C1 ZINC000339122291 376694400 /nfs/dbraw/zinc/69/44/00/376694400.db2.gz JYZIQCUZBUCWQX-UHFFFAOYSA-N 1 1 296.208 3.010 20 30 CGEDMO C[C@H]1C[C@@H](c2ccccc2)CC[N@H+]1CCOCCC#N ZINC000339157634 376716398 /nfs/dbraw/zinc/71/63/98/376716398.db2.gz LWXLCSAQUCQBNO-RDJZCZTQSA-N 1 1 272.392 3.185 20 30 CGEDMO CCc1ccc([C@@H]2CCC[N@@H+](CCOCCC#N)C2)cc1 ZINC000339195860 376733648 /nfs/dbraw/zinc/73/36/48/376733648.db2.gz ODFHBQVMTQACDB-GOSISDBHSA-N 1 1 286.419 3.359 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000339381798 376749144 /nfs/dbraw/zinc/74/91/44/376749144.db2.gz ZDOGBOZKWQETGE-CQSZACIVSA-N 1 1 263.356 3.208 20 30 CGEDMO N#CC1(C[N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)CC1 ZINC000339656614 376788427 /nfs/dbraw/zinc/78/84/27/376788427.db2.gz AZKXBAKEEKDJIC-CQSZACIVSA-N 1 1 276.767 3.097 20 30 CGEDMO N#CC1(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)CC1 ZINC000339656614 376788431 /nfs/dbraw/zinc/78/84/31/376788431.db2.gz AZKXBAKEEKDJIC-CQSZACIVSA-N 1 1 276.767 3.097 20 30 CGEDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000245465405 376824391 /nfs/dbraw/zinc/82/43/91/376824391.db2.gz YLTXAGUZWTVASP-FRFSOERESA-N 1 1 297.402 3.150 20 30 CGEDMO CCCOc1cccc(C[N@H+](C)CC(C)(C)C#N)c1 ZINC000556908153 376904663 /nfs/dbraw/zinc/90/46/63/376904663.db2.gz FRLJVDKGHNAXBO-UHFFFAOYSA-N 1 1 260.381 3.457 20 30 CGEDMO CCCOc1cccc(C[N@@H+](C)CC(C)(C)C#N)c1 ZINC000556908153 376904671 /nfs/dbraw/zinc/90/46/71/376904671.db2.gz FRLJVDKGHNAXBO-UHFFFAOYSA-N 1 1 260.381 3.457 20 30 CGEDMO C=C[C@@H](CC(=O)NCC[N@H+](C)[C@@H](C)CC)c1ccccc1 ZINC000245612739 376867592 /nfs/dbraw/zinc/86/75/92/376867592.db2.gz CASUOCCDUNQTCP-HOTGVXAUSA-N 1 1 288.435 3.193 20 30 CGEDMO C[N@H+](C/C=C/c1ccc(F)cc1F)CC(C)(C)C#N ZINC000556909452 376903855 /nfs/dbraw/zinc/90/38/55/376903855.db2.gz GBTPOEGLXNDUKM-SNAWJCMRSA-N 1 1 264.319 3.460 20 30 CGEDMO C[N@@H+](C/C=C/c1ccc(F)cc1F)CC(C)(C)C#N ZINC000556909452 376903862 /nfs/dbraw/zinc/90/38/62/376903862.db2.gz GBTPOEGLXNDUKM-SNAWJCMRSA-N 1 1 264.319 3.460 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)c1 ZINC000245804420 376914218 /nfs/dbraw/zinc/91/42/18/376914218.db2.gz YFSKAZGHBCDCFG-ZIAGYGMSSA-N 1 1 278.446 3.480 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H](C)[C@@H]1C ZINC000245896489 376927793 /nfs/dbraw/zinc/92/77/93/376927793.db2.gz KLVCECUYFDIOHA-STQMWFEESA-N 1 1 258.365 3.187 20 30 CGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H](C)[C@@H]1C ZINC000246510863 377044186 /nfs/dbraw/zinc/04/41/86/377044186.db2.gz BHYRUMKEZZNFPY-KGLIPLIRSA-N 1 1 288.391 3.066 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@H]1CN(C)Cc1cccc(C#N)c1 ZINC000340283874 376981516 /nfs/dbraw/zinc/98/15/16/376981516.db2.gz OGHBUHHPDKKEAD-SFHVURJKSA-N 1 1 285.435 3.253 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246764691 377086137 /nfs/dbraw/zinc/08/61/37/377086137.db2.gz IKMBGDDGHCDWMH-IAGOWNOFSA-N 1 1 292.467 3.456 20 30 CGEDMO N#CCC[C@H](C#N)C[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000247086494 377157304 /nfs/dbraw/zinc/15/73/04/377157304.db2.gz ZVDDTRIYDGYBIJ-JKSUJKDBSA-N 1 1 285.366 3.134 20 30 CGEDMO C=CC[C@@H](C)[C@H](C)[NH2+][C@H](CC)C(=O)OC(C)(C)C ZINC000561712566 377240464 /nfs/dbraw/zinc/24/04/64/377240464.db2.gz KCGWISQBWPOCRX-FRRDWIJNSA-N 1 1 255.402 3.297 20 30 CGEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(C#N)c2F)C1(C)C ZINC000340902039 377312129 /nfs/dbraw/zinc/31/21/29/377312129.db2.gz STTDFFAXBRNEPG-HUUCEWRRSA-N 1 1 290.382 3.333 20 30 CGEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(C#N)c2F)C1(C)C ZINC000340902037 377312378 /nfs/dbraw/zinc/31/23/78/377312378.db2.gz STTDFFAXBRNEPG-CABCVRRESA-N 1 1 290.382 3.333 20 30 CGEDMO C=C(CC)CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000562862912 377366788 /nfs/dbraw/zinc/36/67/88/377366788.db2.gz YNPJCAPADWLMPG-QGZVFWFLSA-N 1 1 264.457 3.397 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000248643218 377373996 /nfs/dbraw/zinc/37/39/96/377373996.db2.gz YWYRUVWCFNZOEH-WBVHZDCISA-N 1 1 286.419 3.104 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000248643218 377374002 /nfs/dbraw/zinc/37/40/02/377374002.db2.gz YWYRUVWCFNZOEH-WBVHZDCISA-N 1 1 286.419 3.104 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)C[C@H]1CC[C@@H](C)O1 ZINC000248955089 377434328 /nfs/dbraw/zinc/43/43/28/377434328.db2.gz ALCGXCUJZUSYAQ-UKRRQHHQSA-N 1 1 252.402 3.206 20 30 CGEDMO CCOc1cccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)n1 ZINC000341227385 377456379 /nfs/dbraw/zinc/45/63/79/377456379.db2.gz LTZVRAPMFJKECY-UHFFFAOYSA-N 1 1 293.370 3.131 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000565301884 377485465 /nfs/dbraw/zinc/48/54/65/377485465.db2.gz WQJVIEYGDRXPSZ-SFHVURJKSA-N 1 1 298.430 3.489 20 30 CGEDMO CO[C@H](C[NH2+]C[C@@H](C#N)CCC#N)c1cccc(Cl)c1 ZINC000565593447 377489418 /nfs/dbraw/zinc/48/94/18/377489418.db2.gz GQYRSOUTRPIIAA-IUODEOHRSA-N 1 1 291.782 3.061 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@H]1CCCC[C@H]1O ZINC000566834958 377500888 /nfs/dbraw/zinc/50/08/88/377500888.db2.gz UUUTYUZQRUZRAC-NVXWUHKLSA-N 1 1 277.383 3.365 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](CCCN(C)c1ccccc1)C1CC1 ZINC000567781936 377510210 /nfs/dbraw/zinc/51/02/10/377510210.db2.gz UVZJPIQSPDBRIK-HNNXBMFYSA-N 1 1 271.408 3.137 20 30 CGEDMO CCC1CCC([N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000315279341 249098152 /nfs/dbraw/zinc/09/81/52/249098152.db2.gz FTDXZDOWIRVYRM-UHFFFAOYSA-N 1 1 299.418 3.397 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)N[C@H](C)c1ccc(C)c(C)c1 ZINC000573643587 377557888 /nfs/dbraw/zinc/55/78/88/377557888.db2.gz GGJRHJPTDGZVBH-MRXNPFEDSA-N 1 1 288.435 3.379 20 30 CGEDMO CCCC[N@@H+](C)C[C@H](C)Nc1c(F)cc(C#N)cc1F ZINC000573757900 377570410 /nfs/dbraw/zinc/57/04/10/377570410.db2.gz WXLYKFUZKCDUAD-NSHDSACASA-N 1 1 281.350 3.369 20 30 CGEDMO CSCC[C@H](C)[N@@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000488226324 249172717 /nfs/dbraw/zinc/17/27/17/249172717.db2.gz WUQHSSSWLCZBPJ-ZDUSSCGKSA-N 1 1 262.422 3.440 20 30 CGEDMO C[N@H+](CC#Cc1cccc(Cl)c1)CC[C@H]1CCCO1 ZINC000342585013 377675992 /nfs/dbraw/zinc/67/59/92/377675992.db2.gz ITRAAEPVANGLSO-MRXNPFEDSA-N 1 1 277.795 3.192 20 30 CGEDMO Cc1nsc(C)c1C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000574999031 377735674 /nfs/dbraw/zinc/73/56/74/377735674.db2.gz KRVAEZPLMIAYAQ-UHFFFAOYSA-N 1 1 283.400 3.411 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000342715354 377751940 /nfs/dbraw/zinc/75/19/40/377751940.db2.gz AQRNOKWBXZZRLG-UHFFFAOYSA-N 1 1 254.717 3.256 20 30 CGEDMO CCCCC[N@@H+](Cc1cnc2c(C#N)cnn2c1)C(C)C ZINC000575181506 377757527 /nfs/dbraw/zinc/75/75/27/377757527.db2.gz JLEFJDJTHFLFKF-UHFFFAOYSA-N 1 1 285.395 3.002 20 30 CGEDMO C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000342800288 377803698 /nfs/dbraw/zinc/80/36/98/377803698.db2.gz QXPRSMOOUNAZBN-MCIONIFRSA-N 1 1 282.391 3.072 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC=C(c3ccccn3)C2)s1 ZINC000575327051 377879033 /nfs/dbraw/zinc/87/90/33/377879033.db2.gz NRTDDQVJFZHOIJ-UHFFFAOYSA-N 1 1 281.384 3.304 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC=C(c3ccccn3)C2)s1 ZINC000575327051 377879042 /nfs/dbraw/zinc/87/90/42/377879042.db2.gz NRTDDQVJFZHOIJ-UHFFFAOYSA-N 1 1 281.384 3.304 20 30 CGEDMO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CC2(C#N)CC2)C1 ZINC000343320814 377952129 /nfs/dbraw/zinc/95/21/29/377952129.db2.gz MVMHDYTXOHEEQC-HUUCEWRRSA-N 1 1 254.377 3.477 20 30 CGEDMO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2ccc(CC#N)cc2)C1(C)C ZINC000343535922 378011268 /nfs/dbraw/zinc/01/12/68/378011268.db2.gz JXRSZOFJUACTCU-SJLPKXTDSA-N 1 1 286.419 3.388 20 30 CGEDMO CCOc1ccc(C2=CC[N@H+](CC3(C#N)CC3)CC2)cc1 ZINC000343581079 378027679 /nfs/dbraw/zinc/02/76/79/378027679.db2.gz LAVLUJSJYKZKPS-UHFFFAOYSA-N 1 1 282.387 3.478 20 30 CGEDMO CCOc1ccc(C2=CC[N@@H+](CC3(C#N)CC3)CC2)cc1 ZINC000343581079 378027685 /nfs/dbraw/zinc/02/76/85/378027685.db2.gz LAVLUJSJYKZKPS-UHFFFAOYSA-N 1 1 282.387 3.478 20 30 CGEDMO COc1ccc(C[N@H+]2CC(C)(C)[C@@H]2C(C)C)cc1C#N ZINC000578177870 378044101 /nfs/dbraw/zinc/04/41/01/378044101.db2.gz ODKQVXLWKOZZQC-INIZCTEOSA-N 1 1 272.392 3.433 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@H]1c1cccc(OC)c1 ZINC000268529191 378071309 /nfs/dbraw/zinc/07/13/09/378071309.db2.gz FDEOJRNHMUSVIT-RDJZCZTQSA-N 1 1 275.392 3.159 20 30 CGEDMO C[C@@H]1CC[C@@H]([N@H+](CC#Cc2ccccc2Cl)CCO)C1 ZINC000577903894 378022273 /nfs/dbraw/zinc/02/22/73/378022273.db2.gz QKSSNYMEZAOKRD-GDBMZVCRSA-N 1 1 291.822 3.174 20 30 CGEDMO CCCCC[C@H]1CCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000577953489 378025751 /nfs/dbraw/zinc/02/57/51/378025751.db2.gz YZZSMXDIRWPULK-INIZCTEOSA-N 1 1 297.406 3.146 20 30 CGEDMO C[C@@H](NCC[NH+]1CCCCCC1)c1ccc(C#N)c(F)c1 ZINC000346196594 217834561 /nfs/dbraw/zinc/83/45/61/217834561.db2.gz OYJFYJBRGDTYSV-CQSZACIVSA-N 1 1 289.398 3.224 20 30 CGEDMO C[C@H](C[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1)c1ccccc1 ZINC000268716758 378095850 /nfs/dbraw/zinc/09/58/50/378095850.db2.gz UZQDITVLTOTUSU-BEFAXECRSA-N 1 1 294.398 3.327 20 30 CGEDMO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2CC2(C#N)CC2)c1 ZINC000344036223 378156117 /nfs/dbraw/zinc/15/61/17/378156117.db2.gz FXNZKRJGGLPVSP-CZUORRHYSA-N 1 1 270.376 3.382 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000581432377 378279031 /nfs/dbraw/zinc/27/90/31/378279031.db2.gz UQJHPAZZEGQBAK-LBPRGKRZSA-N 1 1 273.336 3.088 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCSC[C@H]2c2ccccc2)nc1 ZINC000580273253 378235908 /nfs/dbraw/zinc/23/59/08/378235908.db2.gz VLTIIGJVQHECFC-KRWDZBQOSA-N 1 1 295.411 3.243 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCSC[C@H]2c2ccccc2)nc1 ZINC000580273253 378235909 /nfs/dbraw/zinc/23/59/09/378235909.db2.gz VLTIIGJVQHECFC-KRWDZBQOSA-N 1 1 295.411 3.243 20 30 CGEDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1cnccc1C#N ZINC000269981540 378291219 /nfs/dbraw/zinc/29/12/19/378291219.db2.gz RBCHDJWBHVMCAO-UHFFFAOYSA-N 1 1 294.402 3.406 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000269617382 378243134 /nfs/dbraw/zinc/24/31/34/378243134.db2.gz CXZYGIKFGVJTLS-JKSUJKDBSA-N 1 1 263.356 3.290 20 30 CGEDMO Clc1cccc(C#CC[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000269612511 378243245 /nfs/dbraw/zinc/24/32/45/378243245.db2.gz FRQJBWOSSOBMTQ-OAHLLOKOSA-N 1 1 299.805 3.294 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595504621 378401584 /nfs/dbraw/zinc/40/15/84/378401584.db2.gz KQUOEPOKEPHGJX-YJBOKZPZSA-N 1 1 283.419 3.037 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H]1c1nc2ccccc2n1CC ZINC000270601302 378374853 /nfs/dbraw/zinc/37/48/53/378374853.db2.gz LSAYXAUFUFOXRK-INIZCTEOSA-N 1 1 267.376 3.216 20 30 CGEDMO CCc1cccc2c1OCC[C@@H]2[NH2+]C[C@H](C#N)CCC#N ZINC000584345974 378379480 /nfs/dbraw/zinc/37/94/80/378379480.db2.gz MMGLMLJPXWDWOD-BBRMVZONSA-N 1 1 283.375 3.106 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cnc([C@@H]2CCCO2)s1 ZINC000271170677 378471335 /nfs/dbraw/zinc/47/13/35/378471335.db2.gz DRDRXZSVLUOJIK-ZDUSSCGKSA-N 1 1 266.410 3.393 20 30 CGEDMO C[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccc(C#N)c(F)c1 ZINC000271925515 378519453 /nfs/dbraw/zinc/51/94/53/378519453.db2.gz GHGINQSDIKWGHO-BMIGLBTASA-N 1 1 284.338 3.149 20 30 CGEDMO C[C@@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1ccc(C#N)c(F)c1 ZINC000271925515 378519463 /nfs/dbraw/zinc/51/94/63/378519463.db2.gz GHGINQSDIKWGHO-BMIGLBTASA-N 1 1 284.338 3.149 20 30 CGEDMO C[C@H](NCC[N@@H+]1CCCC[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000271964905 378531809 /nfs/dbraw/zinc/53/18/09/378531809.db2.gz VCHQAHFBMQOCCT-KBPBESRZSA-N 1 1 289.398 3.222 20 30 CGEDMO C[C@H](NCC[N@H+]1CCCC[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000271964905 378531814 /nfs/dbraw/zinc/53/18/14/378531814.db2.gz VCHQAHFBMQOCCT-KBPBESRZSA-N 1 1 289.398 3.222 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1ncccc1C ZINC000272314101 378609934 /nfs/dbraw/zinc/60/99/34/378609934.db2.gz SGCUUOKAGWJLSD-UHFFFAOYSA-N 1 1 256.349 3.214 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000272315740 378610541 /nfs/dbraw/zinc/61/05/41/378610541.db2.gz PNAPVPTZRUQEPB-JTQLQIEISA-N 1 1 279.181 3.163 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](C)C[C@@H](C)C1 ZINC000347279944 378714607 /nfs/dbraw/zinc/71/46/07/378714607.db2.gz NGXMOEUWHUATDT-UONOGXRCSA-N 1 1 272.392 3.435 20 30 CGEDMO Cc1cc(C[N@@H+]2CCSCC[C@@H]2C)ccc1C#N ZINC000348189787 378831021 /nfs/dbraw/zinc/83/10/21/378831021.db2.gz XRZRKEJPBRSFFQ-ZDUSSCGKSA-N 1 1 260.406 3.194 20 30 CGEDMO C=C(C)CC[N@@H+]1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000274754958 378889343 /nfs/dbraw/zinc/88/93/43/378889343.db2.gz CBCRGMCBYGGMCW-MRXNPFEDSA-N 1 1 261.365 3.035 20 30 CGEDMO C=C(C)CC[N@H+]1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000274754958 378889348 /nfs/dbraw/zinc/88/93/48/378889348.db2.gz CBCRGMCBYGGMCW-MRXNPFEDSA-N 1 1 261.365 3.035 20 30 CGEDMO C=CC[N@H+](C[C@@H](O)c1ccc(F)cc1Cl)C1CC1 ZINC000274831838 378905318 /nfs/dbraw/zinc/90/53/18/378905318.db2.gz MLXVPPVPTNXJST-CQSZACIVSA-N 1 1 269.747 3.163 20 30 CGEDMO N#Cc1ccc(OCC[N@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000346983029 218078187 /nfs/dbraw/zinc/07/81/87/218078187.db2.gz YYAFPICGSIDSQY-SFHVURJKSA-N 1 1 293.370 3.169 20 30 CGEDMO CCc1ccc(CC[N@@H+](CCC#N)CC2CC2)cc1 ZINC000348545785 378986047 /nfs/dbraw/zinc/98/60/47/378986047.db2.gz WXCFSPLHKSHJFP-UHFFFAOYSA-N 1 1 256.393 3.417 20 30 CGEDMO C=CCC[N@@H+](C)Cc1nnn(-c2ccccc2)c1C1CC1 ZINC000639090337 379013870 /nfs/dbraw/zinc/01/38/70/379013870.db2.gz HVJCZWSQVOZANK-UHFFFAOYSA-N 1 1 282.391 3.153 20 30 CGEDMO C=CCC[N@H+](C)Cc1nnn(-c2ccccc2)c1C1CC1 ZINC000639090337 379013876 /nfs/dbraw/zinc/01/38/76/379013876.db2.gz HVJCZWSQVOZANK-UHFFFAOYSA-N 1 1 282.391 3.153 20 30 CGEDMO CC[C@H](CO)[N@@H+](Cc1ccccc1)Cc1ccccc1C#N ZINC000347336504 218195611 /nfs/dbraw/zinc/19/56/11/218195611.db2.gz FRUCRBKTMGHVNN-LJQANCHMSA-N 1 1 294.398 3.331 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@H]2c2cccnc2)ccc1C#N ZINC000348903801 379105612 /nfs/dbraw/zinc/10/56/12/379105612.db2.gz HTNISNJOCLRMRJ-KRWDZBQOSA-N 1 1 293.370 3.299 20 30 CGEDMO CC(C)CCC[N@@H+](CCN(C)C)Cc1ccc(C#N)cc1 ZINC000348907626 379110057 /nfs/dbraw/zinc/11/00/57/379110057.db2.gz XXFLTJHJFNCUQX-UHFFFAOYSA-N 1 1 287.451 3.358 20 30 CGEDMO CC(C)CCCN(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000348907626 379110070 /nfs/dbraw/zinc/11/00/70/379110070.db2.gz XXFLTJHJFNCUQX-UHFFFAOYSA-N 1 1 287.451 3.358 20 30 CGEDMO CC(C)OCC[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000371785614 379177572 /nfs/dbraw/zinc/17/75/72/379177572.db2.gz OGLVIVJPASZZFW-SJORKVTESA-N 1 1 272.392 3.183 20 30 CGEDMO CC(C)OCC[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000371785614 379177580 /nfs/dbraw/zinc/17/75/80/379177580.db2.gz OGLVIVJPASZZFW-SJORKVTESA-N 1 1 272.392 3.183 20 30 CGEDMO C=CC[C@@H]1[N@@H+](CCCc2nc(C)no2)CCCC1(C)C ZINC000277898289 379259844 /nfs/dbraw/zinc/25/98/44/379259844.db2.gz WMIUCVGZWHLDMX-AWEZNQCLSA-N 1 1 277.412 3.377 20 30 CGEDMO CCCN(CCC[NH+](C)C)Cc1ccc(C#N)c(C)c1 ZINC000349387381 379263405 /nfs/dbraw/zinc/26/34/05/379263405.db2.gz VFUJBXIIHIFIBN-UHFFFAOYSA-N 1 1 273.424 3.030 20 30 CGEDMO CCC[N@H+](CCCN(C)C)Cc1ccc(C#N)c(C)c1 ZINC000349387381 379263413 /nfs/dbraw/zinc/26/34/13/379263413.db2.gz VFUJBXIIHIFIBN-UHFFFAOYSA-N 1 1 273.424 3.030 20 30 CGEDMO CCC[N@@H+](CCCN(C)C)Cc1ccc(C#N)c(C)c1 ZINC000349387381 379263419 /nfs/dbraw/zinc/26/34/19/379263419.db2.gz VFUJBXIIHIFIBN-UHFFFAOYSA-N 1 1 273.424 3.030 20 30 CGEDMO C=C1CC[NH+](C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000266528424 190264148 /nfs/dbraw/zinc/26/41/48/190264148.db2.gz LHBGBCBPBJBRHD-AWEZNQCLSA-N 1 1 251.757 3.025 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2ccc3nccnc3c2)C1 ZINC000639346135 379302103 /nfs/dbraw/zinc/30/21/03/379302103.db2.gz BUQCRIFXRKGPPZ-CYBMUJFWSA-N 1 1 253.349 3.028 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278944869 194224130 /nfs/dbraw/zinc/22/41/30/194224130.db2.gz YHKWJCDUCGJYAQ-GFCCVEGCSA-N 1 1 298.308 3.341 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)c(F)c1 ZINC000278934641 194219223 /nfs/dbraw/zinc/21/92/23/194219223.db2.gz XREYIQPXFBGNDT-NSHDSACASA-N 1 1 286.272 3.472 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)s1 ZINC000374257466 379401414 /nfs/dbraw/zinc/40/14/14/379401414.db2.gz FCZBSJPGFPCFHC-AWEZNQCLSA-N 1 1 284.384 3.273 20 30 CGEDMO C[C@H](CC1CCOCC1)C[N@@H+](CCC#N)CC1CC1 ZINC000350004131 379475311 /nfs/dbraw/zinc/47/53/11/379475311.db2.gz BJJSRPXGLZJOQI-CQSZACIVSA-N 1 1 264.413 3.065 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000375347614 379493380 /nfs/dbraw/zinc/49/33/80/379493380.db2.gz DXFARRQMBFSBGC-HUUCEWRRSA-N 1 1 264.413 3.350 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000639608330 379501771 /nfs/dbraw/zinc/50/17/71/379501771.db2.gz APDPUYLGSZKFIR-TXEJJXNPSA-N 1 1 277.330 3.432 20 30 CGEDMO CCc1cc(CCC[N@@H+](C)Cc2ccc(C#N)cc2)on1 ZINC000347705395 218328297 /nfs/dbraw/zinc/32/82/97/218328297.db2.gz JVQXYVPZSMCOSQ-UHFFFAOYSA-N 1 1 283.375 3.173 20 30 CGEDMO C[C@H](CCC#N)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000351435522 379722427 /nfs/dbraw/zinc/72/24/27/379722427.db2.gz YEKVJKWULHGKOP-GVDBMIGSSA-N 1 1 277.456 3.265 20 30 CGEDMO Cc1cnn([C@@H]2CC[N@H+](CC#Cc3ccccc3Cl)C2)c1 ZINC000352391277 379792006 /nfs/dbraw/zinc/79/20/06/379792006.db2.gz JREZKHAXWXRYNX-MRXNPFEDSA-N 1 1 299.805 3.143 20 30 CGEDMO Cc1cnn([C@@H]2CC[N@@H+](CC#Cc3ccccc3Cl)C2)c1 ZINC000352391277 379792010 /nfs/dbraw/zinc/79/20/10/379792010.db2.gz JREZKHAXWXRYNX-MRXNPFEDSA-N 1 1 299.805 3.143 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000280719612 379772844 /nfs/dbraw/zinc/77/28/44/379772844.db2.gz CAQYKYOFFYLXKF-QRVBRYPASA-N 1 1 298.430 3.464 20 30 CGEDMO C=CC[N@H+](CCCCCCO)Cc1ccc(OC)cc1 ZINC000267505835 190334539 /nfs/dbraw/zinc/33/45/39/190334539.db2.gz HHWUTCHVSDFCNG-UHFFFAOYSA-N 1 1 277.408 3.236 20 30 CGEDMO N#CC1(F)CC[NH+](CCOc2cccc(Cl)c2)CC1 ZINC000352490187 379836546 /nfs/dbraw/zinc/83/65/46/379836546.db2.gz GVDYZAKCOGVGFB-UHFFFAOYSA-N 1 1 282.746 3.046 20 30 CGEDMO COc1cc(C[N@@H+](C)[C@@H](C)c2cccc(O)c2)ccc1C#N ZINC000282387342 379908476 /nfs/dbraw/zinc/90/84/76/379908476.db2.gz QYMBRZDMAFYPIA-ZDUSSCGKSA-N 1 1 296.370 3.465 20 30 CGEDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000352871574 380015078 /nfs/dbraw/zinc/01/50/78/380015078.db2.gz BQOKHASGPSGVGW-BBRMVZONSA-N 1 1 290.382 3.213 20 30 CGEDMO Cc1cc(C[N@@H+]2CCCCC[C@@H]2C[C@H](C)O)ccc1C#N ZINC000352891965 380021997 /nfs/dbraw/zinc/02/19/97/380021997.db2.gz GRRQJYFPNPZUGW-MAUKXSAKSA-N 1 1 286.419 3.382 20 30 CGEDMO Cc1c2ccccc2n(C)c1C[NH2+]Cc1nc(C#N)cs1 ZINC000352947514 380053008 /nfs/dbraw/zinc/05/30/08/380053008.db2.gz QLGNCRPSUPAEBZ-UHFFFAOYSA-N 1 1 296.399 3.105 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccncc1 ZINC000352958017 380056847 /nfs/dbraw/zinc/05/68/47/380056847.db2.gz XPSJSENZWLCCST-UHFFFAOYSA-N 1 1 284.407 3.437 20 30 CGEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccncc1 ZINC000352958017 380056853 /nfs/dbraw/zinc/05/68/53/380056853.db2.gz XPSJSENZWLCCST-UHFFFAOYSA-N 1 1 284.407 3.437 20 30 CGEDMO CC[N@@H+](CCC1(C#N)CCCCC1)C[C@H]1CCCO1 ZINC000411223681 380137317 /nfs/dbraw/zinc/13/73/17/380137317.db2.gz PJRQATPCLCNXGO-OAHLLOKOSA-N 1 1 264.413 3.351 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)NC1CCCC1 ZINC000411134429 380130440 /nfs/dbraw/zinc/13/04/40/380130440.db2.gz NYWHCSSRTBURAA-HNNXBMFYSA-N 1 1 286.419 3.122 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)NC1CCCC1 ZINC000411134429 380130446 /nfs/dbraw/zinc/13/04/46/380130446.db2.gz NYWHCSSRTBURAA-HNNXBMFYSA-N 1 1 286.419 3.122 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)[C@H](C)c1nc(CC)no1 ZINC000411202942 380134402 /nfs/dbraw/zinc/13/44/02/380134402.db2.gz WFGYCTHLUZPGMQ-CQSZACIVSA-N 1 1 285.391 3.424 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)[C@H](C)c1nc(CC)no1 ZINC000411202942 380134404 /nfs/dbraw/zinc/13/44/04/380134404.db2.gz WFGYCTHLUZPGMQ-CQSZACIVSA-N 1 1 285.391 3.424 20 30 CGEDMO CCc1nc(N[C@H](C)c2ccc(C#N)cc2)cc(C)[nH+]1 ZINC000286268669 380185939 /nfs/dbraw/zinc/18/59/39/380185939.db2.gz WHISWKPNQWSIHS-GFCCVEGCSA-N 1 1 266.348 3.392 20 30 CGEDMO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000414163948 380196134 /nfs/dbraw/zinc/19/61/34/380196134.db2.gz JNZXJARGHLVSMA-AEFFLSMTSA-N 1 1 299.462 3.426 20 30 CGEDMO C[N@@H+](CCC1(C#N)CCCCC1)C[C@@H]1CCCC[C@@H]1O ZINC000411483991 380150191 /nfs/dbraw/zinc/15/01/91/380150191.db2.gz GJSULPWLFGCSHC-HOTGVXAUSA-N 1 1 278.440 3.333 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000354083473 380312895 /nfs/dbraw/zinc/31/28/95/380312895.db2.gz ODDPGDYPPLECOE-RDJZCZTQSA-N 1 1 287.403 3.110 20 30 CGEDMO C=CCC[C@@H]([NH2+]Cc1ncnn1CCC)c1ccccc1 ZINC000279068393 194270181 /nfs/dbraw/zinc/27/01/81/194270181.db2.gz JQTFRWZVEISXPW-MRXNPFEDSA-N 1 1 284.407 3.485 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000644786066 380510664 /nfs/dbraw/zinc/51/06/64/380510664.db2.gz BOGDQEOIQLYCDN-HUUCEWRRSA-N 1 1 297.851 3.443 20 30 CGEDMO Cc1cc(C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)ccc1C#N ZINC000354707264 380532870 /nfs/dbraw/zinc/53/28/70/380532870.db2.gz NMROAAWOSQMJDY-ROUUACIJSA-N 1 1 282.387 3.010 20 30 CGEDMO Cc1cc(C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)ccc1C#N ZINC000354707264 380532875 /nfs/dbraw/zinc/53/28/75/380532875.db2.gz NMROAAWOSQMJDY-ROUUACIJSA-N 1 1 282.387 3.010 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000355200771 380620424 /nfs/dbraw/zinc/62/04/24/380620424.db2.gz NMRLKSAWDIUYBH-KDOFPFPSSA-N 1 1 287.403 3.251 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000355200771 380620432 /nfs/dbraw/zinc/62/04/32/380620432.db2.gz NMRLKSAWDIUYBH-KDOFPFPSSA-N 1 1 287.403 3.251 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCSC[C@H]2C2CCC2)c(F)c1 ZINC000418130829 380709016 /nfs/dbraw/zinc/70/90/16/380709016.db2.gz VSDDQSSXGJFJOD-INIZCTEOSA-N 1 1 290.407 3.415 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000279169309 194315042 /nfs/dbraw/zinc/31/50/42/194315042.db2.gz BSIMMJQYRHZRPR-UHFFFAOYSA-N 1 1 263.356 3.383 20 30 CGEDMO C=CC1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000355674081 380745883 /nfs/dbraw/zinc/74/58/83/380745883.db2.gz BKAXCXFRVWPEHO-GOSISDBHSA-N 1 1 270.420 3.159 20 30 CGEDMO C=CC1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000355674081 380745885 /nfs/dbraw/zinc/74/58/85/380745885.db2.gz BKAXCXFRVWPEHO-GOSISDBHSA-N 1 1 270.420 3.159 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H](CC)OC ZINC000419205159 380778638 /nfs/dbraw/zinc/77/86/38/380778638.db2.gz IUFXWQZRSYDEDY-OAHLLOKOSA-N 1 1 263.381 3.108 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC000645985119 380793397 /nfs/dbraw/zinc/79/33/97/380793397.db2.gz KGWPGPLQUSIWED-KRWDZBQOSA-N 1 1 259.393 3.226 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000420923594 380864200 /nfs/dbraw/zinc/86/42/00/380864200.db2.gz IDGFRHBSDJUQOZ-STQMWFEESA-N 1 1 253.386 3.005 20 30 CGEDMO C=CCOCCC[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420955088 380864324 /nfs/dbraw/zinc/86/43/24/380864324.db2.gz VPJSDPSPBMOWJH-GFCCVEGCSA-N 1 1 265.319 3.244 20 30 CGEDMO OCC[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000421015146 380871461 /nfs/dbraw/zinc/87/14/61/380871461.db2.gz LETBTHPSDHBFPC-MRXNPFEDSA-N 1 1 291.822 3.176 20 30 CGEDMO CCCc1nc(C)c(C[NH2+]Cc2ccc(C#N)c(F)c2)o1 ZINC000421359271 380895109 /nfs/dbraw/zinc/89/51/09/380895109.db2.gz WDMHHIJAGGUYRH-UHFFFAOYSA-N 1 1 287.338 3.236 20 30 CGEDMO C[C@@H](C1CCC1)[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000357023253 380993951 /nfs/dbraw/zinc/99/39/51/380993951.db2.gz LJXZTBAGPVNFIY-LBPRGKRZSA-N 1 1 296.374 3.229 20 30 CGEDMO C=C(CC)C[N@H+]1CCCN(Cc2ccccc2)CC1 ZINC000358624544 381318880 /nfs/dbraw/zinc/31/88/80/381318880.db2.gz MDCCODIXWUOSFY-UHFFFAOYSA-N 1 1 258.409 3.161 20 30 CGEDMO C=C(CC)CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000358624544 381318885 /nfs/dbraw/zinc/31/88/85/381318885.db2.gz MDCCODIXWUOSFY-UHFFFAOYSA-N 1 1 258.409 3.161 20 30 CGEDMO C=C(CC)CN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000358624544 381318889 /nfs/dbraw/zinc/31/88/89/381318889.db2.gz MDCCODIXWUOSFY-UHFFFAOYSA-N 1 1 258.409 3.161 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1[C@@H](C)Cc2cc(OC)ccc2[C@@H]1C ZINC000359653523 381360416 /nfs/dbraw/zinc/36/04/16/381360416.db2.gz WNADTLAQSJVPNG-DZKIICNBSA-N 1 1 289.419 3.330 20 30 CGEDMO COC1CCC([N@@H+](C)Cc2ccc(F)cc2C#N)CC1 ZINC000360320711 381515212 /nfs/dbraw/zinc/51/52/12/381515212.db2.gz WFHCZBJNXVHZME-UHFFFAOYSA-N 1 1 276.355 3.087 20 30 CGEDMO Cn1cc(C[N@@H+](C)[C@H]2CCCC[C@@H]2C(F)(F)F)cc1C#N ZINC000361252576 381665038 /nfs/dbraw/zinc/66/50/38/381665038.db2.gz PGLVZZDTOBVLLZ-KBPBESRZSA-N 1 1 299.340 3.450 20 30 CGEDMO C=CC[N@@H+](C)Cc1ccc(Cl)c(OCC)c1F ZINC001143831707 804898799 /nfs/dbraw/zinc/89/87/99/804898799.db2.gz UNMODIVVYMBRJK-UHFFFAOYSA-N 1 1 257.736 3.496 20 30 CGEDMO Cn1cc(C[N@H+]2CCCC[C@H]2Cc2ccccc2)cc1C#N ZINC000361554989 381802486 /nfs/dbraw/zinc/80/24/86/381802486.db2.gz WMMSNLOETNHAFB-SFHVURJKSA-N 1 1 293.414 3.494 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(Cl)c(OCC)c1F ZINC001143831707 804898803 /nfs/dbraw/zinc/89/88/03/804898803.db2.gz UNMODIVVYMBRJK-UHFFFAOYSA-N 1 1 257.736 3.496 20 30 CGEDMO COCC[N@@H+](Cc1ccccc1C#N)[C@@H]1CC[C@@H](C)C1 ZINC000361640601 381851132 /nfs/dbraw/zinc/85/11/32/381851132.db2.gz VDMPDAIIYAFTCY-RHSMWYFYSA-N 1 1 272.392 3.195 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)o1 ZINC000362391034 381972875 /nfs/dbraw/zinc/97/28/75/381972875.db2.gz YBKVMIMSLVPJTQ-ROUUACIJSA-N 1 1 296.370 3.239 20 30 CGEDMO Cc1cc(C[N@@H+](C)Cc2ccccc2)ccc1C#N ZINC000362969414 382170257 /nfs/dbraw/zinc/17/02/57/382170257.db2.gz MAFNPJRTPWECRD-UHFFFAOYSA-N 1 1 250.345 3.499 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC3(CC(OCC)C3)C2)cc1 ZINC000367698265 382354653 /nfs/dbraw/zinc/35/46/53/382354653.db2.gz DYJMWWLYLWIVLT-UHFFFAOYSA-N 1 1 269.388 3.059 20 30 CGEDMO Cc1c[nH+]ccc1OC1CCN(c2ccc(C#N)cc2)CC1 ZINC000370079634 382415829 /nfs/dbraw/zinc/41/58/29/382415829.db2.gz FPNPUZGWVLHDHB-UHFFFAOYSA-N 1 1 293.370 3.310 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)ccc1C#N ZINC000335380088 208321451 /nfs/dbraw/zinc/32/14/51/208321451.db2.gz MNCVVZJHYJKACO-MSOLQXFVSA-N 1 1 284.403 3.258 20 30 CGEDMO COC[C@@H]1CCCC[N@H+]1CCCCC(C)(C)C#N ZINC000307766498 542422802 /nfs/dbraw/zinc/42/28/02/542422802.db2.gz DUHFIKLABSPQGU-AWEZNQCLSA-N 1 1 252.402 3.207 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)N[C@@H](c1ccccc1)C(C)C ZINC000302912702 542415339 /nfs/dbraw/zinc/41/53/39/542415339.db2.gz FLAZPDMUMMLOGP-GOSISDBHSA-N 1 1 288.435 3.398 20 30 CGEDMO CC(C)c1nc([C@@H]2CCC[N@H+]([C@H]3CC[C@H](C#N)C3)C2)no1 ZINC000328719107 542445167 /nfs/dbraw/zinc/44/51/67/542445167.db2.gz GCPFNNQWFMCVDZ-MJBXVCDLSA-N 1 1 288.395 3.065 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCCCC[C@H]2CCO)cc1 ZINC000342829031 542498339 /nfs/dbraw/zinc/49/83/39/542498339.db2.gz ZBVBJHHPIADONU-KRWDZBQOSA-N 1 1 289.419 3.378 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](O)C[C@H]2c2cccc(F)c2)c1 ZINC000281565298 195290197 /nfs/dbraw/zinc/29/01/97/195290197.db2.gz CZWJRPSFFBBEMH-ROUUACIJSA-N 1 1 296.345 3.005 20 30 CGEDMO N#Cc1cccc(C[N@H+]2C[C@@H](O)C[C@H]2c2cccc(F)c2)c1 ZINC000281565298 195290199 /nfs/dbraw/zinc/29/01/99/195290199.db2.gz CZWJRPSFFBBEMH-ROUUACIJSA-N 1 1 296.345 3.005 20 30 CGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC(C)(C)C[C@@H]1C ZINC000412018653 533340410 /nfs/dbraw/zinc/34/04/10/533340410.db2.gz CAMFHAFWNDYLQX-STQMWFEESA-N 1 1 285.391 3.006 20 30 CGEDMO C[C@@H](NCc1ccc2c(c1)C[NH2+]C2)c1ccc(C#N)cc1F ZINC000423370622 533450932 /nfs/dbraw/zinc/45/09/32/533450932.db2.gz FUPFHFKTQRUORJ-GFCCVEGCSA-N 1 1 295.361 3.151 20 30 CGEDMO COc1ccc(C[N@H+]2CC(C)(C)C[C@@H]2C)cc1C#N ZINC000412042819 533552342 /nfs/dbraw/zinc/55/23/42/533552342.db2.gz NCEKSUVTCMBQOI-LBPRGKRZSA-N 1 1 258.365 3.187 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H]1c1nc(C(=O)OCC)cs1 ZINC000191447407 130238317 /nfs/dbraw/zinc/23/83/17/130238317.db2.gz PNHLUIOZPRIMJY-CYBMUJFWSA-N 1 1 294.420 3.423 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]1c1nc(C(=O)OCC)cs1 ZINC000191447407 130238320 /nfs/dbraw/zinc/23/83/20/130238320.db2.gz PNHLUIOZPRIMJY-CYBMUJFWSA-N 1 1 294.420 3.423 20 30 CGEDMO CC[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000037022697 391978062 /nfs/dbraw/zinc/97/80/62/391978062.db2.gz RCHNEUWCSRSHKA-INIZCTEOSA-N 1 1 285.391 3.151 20 30 CGEDMO COc1ccc(C[N@@H+](C)CCOc2ccccc2C#N)cc1 ZINC000060461122 392120154 /nfs/dbraw/zinc/12/01/54/392120154.db2.gz JEMVQDIDOADJDY-UHFFFAOYSA-N 1 1 296.370 3.078 20 30 CGEDMO N#CCC[N@@H+](Cc1ccc(OCC(F)F)cc1)CC1CC1 ZINC000093091314 392234530 /nfs/dbraw/zinc/23/45/30/392234530.db2.gz DWTRVIQPXAFKMT-UHFFFAOYSA-N 1 1 294.345 3.456 20 30 CGEDMO N#CCC[N@H+](Cc1ccc(OCC(F)F)cc1)CC1CC1 ZINC000093091314 392234533 /nfs/dbraw/zinc/23/45/33/392234533.db2.gz DWTRVIQPXAFKMT-UHFFFAOYSA-N 1 1 294.345 3.456 20 30 CGEDMO COCC[N@H+](Cc1ccc(C#N)s1)C[C@H]1CC=CCC1 ZINC000361678362 392294239 /nfs/dbraw/zinc/29/42/39/392294239.db2.gz NVNFEBPINSJBBE-AWEZNQCLSA-N 1 1 290.432 3.424 20 30 CGEDMO C=CC[N@H+](Cc1ccc(-c2cnn(C)c2)s1)C1CC1 ZINC000282794222 392295606 /nfs/dbraw/zinc/29/56/06/392295606.db2.gz MKRFZNBSYHOPKO-UHFFFAOYSA-N 1 1 273.405 3.299 20 30 CGEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1ncccn1 ZINC000361703528 392299865 /nfs/dbraw/zinc/29/98/65/392299865.db2.gz UJFPTHUCJCNFCE-UHFFFAOYSA-N 1 1 280.375 3.006 20 30 CGEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1ncccn1 ZINC000361703528 392299867 /nfs/dbraw/zinc/29/98/67/392299867.db2.gz UJFPTHUCJCNFCE-UHFFFAOYSA-N 1 1 280.375 3.006 20 30 CGEDMO C=C(C)C[N@@H+](CC)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283680683 392307195 /nfs/dbraw/zinc/30/71/95/392307195.db2.gz VZTUXZCYACYVHD-MRXNPFEDSA-N 1 1 286.419 3.047 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1sc(C)nc1C(F)(F)F ZINC000286151198 392377107 /nfs/dbraw/zinc/37/71/07/392377107.db2.gz NQOYARJXJFGLGE-UHFFFAOYSA-N 1 1 276.327 3.314 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1sc(C)nc1C(F)(F)F ZINC000286151198 392377113 /nfs/dbraw/zinc/37/71/13/392377113.db2.gz NQOYARJXJFGLGE-UHFFFAOYSA-N 1 1 276.327 3.314 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+](C)CC(=O)Nc1ccccc1 ZINC000122879139 392425302 /nfs/dbraw/zinc/42/53/02/392425302.db2.gz WRRJWXAAJUMYKN-CQSZACIVSA-N 1 1 293.370 3.190 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CC(=O)Nc1ccccc1 ZINC000122879139 392425307 /nfs/dbraw/zinc/42/53/07/392425307.db2.gz WRRJWXAAJUMYKN-CQSZACIVSA-N 1 1 293.370 3.190 20 30 CGEDMO CC1(C)C[N@H+](CC#Cc2ccc(F)cc2)[C@H]1[C@@H]1CCCO1 ZINC000289941231 392438712 /nfs/dbraw/zinc/43/87/12/392438712.db2.gz VRBSAEULUZLNDN-IRXDYDNUSA-N 1 1 287.378 3.067 20 30 CGEDMO CC1(C)C[N@@H+](CC#Cc2ccc(F)cc2)[C@H]1[C@@H]1CCCO1 ZINC000289941231 392438719 /nfs/dbraw/zinc/43/87/19/392438719.db2.gz VRBSAEULUZLNDN-IRXDYDNUSA-N 1 1 287.378 3.067 20 30 CGEDMO C#CCOc1ccc(C[N@@H+](Cc2cccnc2)C2CC2)cc1 ZINC000290494896 392449469 /nfs/dbraw/zinc/44/94/69/392449469.db2.gz OUTMDMNZKXBLEW-UHFFFAOYSA-N 1 1 292.382 3.258 20 30 CGEDMO Fc1ccc(C#CC[N@@H+]2CCC[C@H]2c2ccncc2)cc1 ZINC000154038480 392533904 /nfs/dbraw/zinc/53/39/04/392533904.db2.gz YAOYTGMMBRKBMC-SFHVURJKSA-N 1 1 280.346 3.409 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCC[C@H]2c2ccncc2)cc1 ZINC000154038480 392533910 /nfs/dbraw/zinc/53/39/10/392533910.db2.gz YAOYTGMMBRKBMC-SFHVURJKSA-N 1 1 280.346 3.409 20 30 CGEDMO CCCCC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000372341544 392601879 /nfs/dbraw/zinc/60/18/79/392601879.db2.gz DXPHWXFWBYPHAP-INIZCTEOSA-N 1 1 258.365 3.122 20 30 CGEDMO CCCCC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000372341544 392601884 /nfs/dbraw/zinc/60/18/84/392601884.db2.gz DXPHWXFWBYPHAP-INIZCTEOSA-N 1 1 258.365 3.122 20 30 CGEDMO CN(C)c1cc[nH+]cc1C(=O)Nc1cnc2c(c1)CCCC2 ZINC000329526817 392685999 /nfs/dbraw/zinc/68/59/99/392685999.db2.gz RRDUHJBFYYFVTA-UHFFFAOYSA-N 1 1 296.374 3.058 20 30 CGEDMO C=C(C)C[C@H](C)c1nc([C@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1 ZINC000329626551 392688938 /nfs/dbraw/zinc/68/89/38/392688938.db2.gz VNCNDTBXEZBGTL-WOSRLPQWSA-N 1 1 291.395 3.065 20 30 CGEDMO C=C(C)C[C@H](C)c1nc([C@H]2C[N@H+]3CCC[C@]3(C)CO2)no1 ZINC000329626551 392688946 /nfs/dbraw/zinc/68/89/46/392688946.db2.gz VNCNDTBXEZBGTL-WOSRLPQWSA-N 1 1 291.395 3.065 20 30 CGEDMO C[N@@H+](CCCC(C)(C)C#N)[C@H]1CCN(c2ccccc2)C1=O ZINC000174856708 392647605 /nfs/dbraw/zinc/64/76/05/392647605.db2.gz HIBZDZZADKWBLW-INIZCTEOSA-N 1 1 299.418 3.054 20 30 CGEDMO Cc1cc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)cc2n[nH]cc21 ZINC000330232509 392692800 /nfs/dbraw/zinc/69/28/00/392692800.db2.gz RPOGAOSWKOCHPT-HNNXBMFYSA-N 1 1 284.363 3.086 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)N[C@H](C)c1ccccc1Cl ZINC000181326691 392728376 /nfs/dbraw/zinc/72/83/76/392728376.db2.gz VWKOWEWJOPSOQZ-GFCCVEGCSA-N 1 1 280.799 3.025 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+](CCCO)CC(C)(C)C ZINC000186223164 392778343 /nfs/dbraw/zinc/77/83/43/392778343.db2.gz DVLWLVVFSNHVTE-UHFFFAOYSA-N 1 1 274.408 3.097 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@H](C)c1ccccn1 ZINC000186314935 392782130 /nfs/dbraw/zinc/78/21/30/392782130.db2.gz BECJRVSNBGBEOI-CQSZACIVSA-N 1 1 265.360 3.455 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)cc1 ZINC000335234253 392784748 /nfs/dbraw/zinc/78/47/48/392784748.db2.gz QCFOHOFZDVUCIX-GOSISDBHSA-N 1 1 296.414 3.339 20 30 CGEDMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CC1(C#N)CC1 ZINC000335659732 392805643 /nfs/dbraw/zinc/80/56/43/392805643.db2.gz XIRLSXPOTHUTFD-TZMCWYRMSA-N 1 1 258.340 3.307 20 30 CGEDMO CCOC1CC2(C1)CC[N@H+](Cc1ccc(F)cc1C#N)C2 ZINC000375749704 392815273 /nfs/dbraw/zinc/81/52/73/392815273.db2.gz HKNVQQLJFOAQEN-UHFFFAOYSA-N 1 1 288.366 3.088 20 30 CGEDMO CCOC1CC2(C1)CC[N@@H+](Cc1ccc(F)cc1C#N)C2 ZINC000375749704 392815283 /nfs/dbraw/zinc/81/52/83/392815283.db2.gz HKNVQQLJFOAQEN-UHFFFAOYSA-N 1 1 288.366 3.088 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000337439398 392886782 /nfs/dbraw/zinc/88/67/82/392886782.db2.gz LHYXSMBEKQYBMK-OAHLLOKOSA-N 1 1 273.424 3.365 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCC[C@H]1c1nnc(C)[nH]1 ZINC000338334356 392908931 /nfs/dbraw/zinc/90/89/31/392908931.db2.gz WJEQHTZFIJMSST-AWEZNQCLSA-N 1 1 262.401 3.387 20 30 CGEDMO C[C@@H](C#N)C[N@H+](CCSc1ccccc1)C1CC1 ZINC000338349867 392910631 /nfs/dbraw/zinc/91/06/31/392910631.db2.gz ODMHMFSHERAVFW-ZDUSSCGKSA-N 1 1 260.406 3.403 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](CCSc1ccccc1)C1CC1 ZINC000338349867 392910633 /nfs/dbraw/zinc/91/06/33/392910633.db2.gz ODMHMFSHERAVFW-ZDUSSCGKSA-N 1 1 260.406 3.403 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cn(C)nc1-c1ccc(C)o1 ZINC000648009778 392867667 /nfs/dbraw/zinc/86/76/67/392867667.db2.gz XEIZSJSHUQDHTE-UHFFFAOYSA-N 1 1 273.380 3.387 20 30 CGEDMO N#CCCOCC[N@@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000339078131 392944882 /nfs/dbraw/zinc/94/48/82/392944882.db2.gz IPXFRZNQZOWZNF-HNNXBMFYSA-N 1 1 290.382 3.325 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C1CC1)C1CCC(C)CC1 ZINC000339006146 392939328 /nfs/dbraw/zinc/93/93/28/392939328.db2.gz UXNSGOLVKYTWJA-UHFFFAOYSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCOCC[N@H+](CCc1cccc(F)c1)C1CC1 ZINC000338996871 392939457 /nfs/dbraw/zinc/93/94/57/392939457.db2.gz JREINRJDAOXPCO-UHFFFAOYSA-N 1 1 263.356 3.035 20 30 CGEDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459405969 392943648 /nfs/dbraw/zinc/94/36/48/392943648.db2.gz FYESSPUGAMXBRK-DOMZBBRYSA-N 1 1 287.363 3.477 20 30 CGEDMO CCOC1CC([N@@H+](C)CCC2(C#N)CCCCC2)C1 ZINC000411736416 392987116 /nfs/dbraw/zinc/98/71/16/392987116.db2.gz FEIPCNOUDSCIMS-UHFFFAOYSA-N 1 1 264.413 3.350 20 30 CGEDMO C[C@H]1CN(CCC2(C#N)CCCCC2)CC[N@H+](C2CC2)C1 ZINC000411773644 392988602 /nfs/dbraw/zinc/98/86/02/392988602.db2.gz UBENXMADVVBEGX-INIZCTEOSA-N 1 1 289.467 3.267 20 30 CGEDMO C[C@@H]1CN(C2CC2)CC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000411773644 392988607 /nfs/dbraw/zinc/98/86/07/392988607.db2.gz UBENXMADVVBEGX-INIZCTEOSA-N 1 1 289.467 3.267 20 30 CGEDMO C[C@@H]1CN(C2CC2)CC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411773644 392988612 /nfs/dbraw/zinc/98/86/12/392988612.db2.gz UBENXMADVVBEGX-INIZCTEOSA-N 1 1 289.467 3.267 20 30 CGEDMO N#CC1(CC[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)CCCCC1 ZINC000411803340 392988890 /nfs/dbraw/zinc/98/88/90/392988890.db2.gz OHMOEIAXDAGPJL-BBWFWOEESA-N 1 1 290.451 3.476 20 30 CGEDMO CC[C@@H](C)[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000533426371 392995797 /nfs/dbraw/zinc/99/57/97/392995797.db2.gz JFTIUAQBYIBYFC-RHSMWYFYSA-N 1 1 299.418 3.397 20 30 CGEDMO CC[C@H](C)[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000533426373 392996794 /nfs/dbraw/zinc/99/67/94/392996794.db2.gz JFTIUAQBYIBYFC-WMLDXEAASA-N 1 1 299.418 3.397 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000245985212 393050090 /nfs/dbraw/zinc/05/00/90/393050090.db2.gz DXBCEDQAUNLGEK-PBHICJAKSA-N 1 1 272.392 3.268 20 30 CGEDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1cn2ccccc2c1C#N ZINC000466915335 393068487 /nfs/dbraw/zinc/06/84/87/393068487.db2.gz JFIWEKVHIPXHIB-UKRRQHHQSA-N 1 1 267.376 3.431 20 30 CGEDMO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1(C)C ZINC000353956963 393235455 /nfs/dbraw/zinc/23/54/55/393235455.db2.gz NAEBGOLGEHVDQY-NVXWUHKLSA-N 1 1 272.392 3.194 20 30 CGEDMO CCC[N@@H+](CCCCC#N)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000354205456 393240628 /nfs/dbraw/zinc/24/06/28/393240628.db2.gz IQHVPYBXWZGDFW-RBSFLKMASA-N 1 1 264.413 3.206 20 30 CGEDMO COCc1ccccc1/C=C(/C)C[N@H+](C)[C@H](C)CC#N ZINC000351392857 393187976 /nfs/dbraw/zinc/18/79/76/393187976.db2.gz BILKDJSSHHYJNX-QKXCFHHRSA-N 1 1 272.392 3.470 20 30 CGEDMO COCc1ccccc1/C=C(/C)C[N@@H+](C)[C@H](C)CC#N ZINC000351392857 393187982 /nfs/dbraw/zinc/18/79/82/393187982.db2.gz BILKDJSSHHYJNX-QKXCFHHRSA-N 1 1 272.392 3.470 20 30 CGEDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1ccccc1C(C)(C)C#N ZINC000351942643 393196722 /nfs/dbraw/zinc/19/67/22/393196722.db2.gz BHRKYGFAZZPYFS-LSDHHAIUSA-N 1 1 285.435 3.012 20 30 CGEDMO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000351942643 393196726 /nfs/dbraw/zinc/19/67/26/393196726.db2.gz BHRKYGFAZZPYFS-LSDHHAIUSA-N 1 1 285.435 3.012 20 30 CGEDMO C[C@@H]1CN(C)[C@@H](C)C[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000351942643 393196733 /nfs/dbraw/zinc/19/67/33/393196733.db2.gz BHRKYGFAZZPYFS-LSDHHAIUSA-N 1 1 285.435 3.012 20 30 CGEDMO Cc1cc([C@@H]2CCC[N@H+]2CC(C)(C)CCC#N)on1 ZINC000352096448 393199131 /nfs/dbraw/zinc/19/91/31/393199131.db2.gz GFNNDXPLYZJHQE-ZDUSSCGKSA-N 1 1 261.369 3.450 20 30 CGEDMO C=CCCC1(C(=O)N(C)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000355280325 393289248 /nfs/dbraw/zinc/28/92/48/393289248.db2.gz VLFFJABRXLZGTQ-UHFFFAOYSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC000649224956 393376350 /nfs/dbraw/zinc/37/63/50/393376350.db2.gz FAOYFDQUBAWTQS-CYBMUJFWSA-N 1 1 274.191 3.362 20 30 CGEDMO C=C(C)[C@@H](CO)[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC000649224956 393376352 /nfs/dbraw/zinc/37/63/52/393376352.db2.gz FAOYFDQUBAWTQS-CYBMUJFWSA-N 1 1 274.191 3.362 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+](C)Cc1cccc(Cl)c1Cl ZINC000649223988 393376647 /nfs/dbraw/zinc/37/66/47/393376647.db2.gz UMVZMRAQFOFZPF-GFCCVEGCSA-N 1 1 274.191 3.362 20 30 CGEDMO C=C(C)[C@@H](CO)[N@@H+](C)Cc1cccc(Cl)c1Cl ZINC000649223988 393376652 /nfs/dbraw/zinc/37/66/52/393376652.db2.gz UMVZMRAQFOFZPF-GFCCVEGCSA-N 1 1 274.191 3.362 20 30 CGEDMO C[C@@H]1CCSCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000428952815 393466178 /nfs/dbraw/zinc/46/61/78/393466178.db2.gz DKRFAMDOZSUGJK-LLVKDONJSA-N 1 1 264.369 3.025 20 30 CGEDMO C[C@@H]1CCSCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428952815 393466187 /nfs/dbraw/zinc/46/61/87/393466187.db2.gz DKRFAMDOZSUGJK-LLVKDONJSA-N 1 1 264.369 3.025 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@@H](C)CSc1ccccc1 ZINC000649665692 393533537 /nfs/dbraw/zinc/53/35/37/393533537.db2.gz STLMNVJOXWLSAC-GJZGRUSLSA-N 1 1 279.449 3.426 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCc3ccccc3CC2)o1 ZINC000449558317 393902904 /nfs/dbraw/zinc/90/29/04/393902904.db2.gz WYNWAQZELZJFPE-UHFFFAOYSA-N 1 1 266.344 3.142 20 30 CGEDMO Cc1cc(C[N@H+](C)[C@H](CO)CC(C)(C)C)ccc1C#N ZINC000449592748 393916482 /nfs/dbraw/zinc/91/64/82/393916482.db2.gz YYRPWGOMJFHZGR-INIZCTEOSA-N 1 1 274.408 3.096 20 30 CGEDMO CO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)s2)C12CCC2 ZINC000449629725 393927158 /nfs/dbraw/zinc/92/71/58/393927158.db2.gz GCEKEBLFTTWOTB-ZIAGYGMSSA-N 1 1 276.405 3.009 20 30 CGEDMO C[C@H](NCC[N@H+]1CCCC1(C)C)c1cccc(C#N)c1 ZINC000453409593 394237722 /nfs/dbraw/zinc/23/77/22/394237722.db2.gz WNJDZQVOFPNKPM-AWEZNQCLSA-N 1 1 271.408 3.083 20 30 CGEDMO C[C@H]([NH2+]CCN1CCCC1(C)C)c1cccc(C#N)c1 ZINC000453409593 394237725 /nfs/dbraw/zinc/23/77/25/394237725.db2.gz WNJDZQVOFPNKPM-AWEZNQCLSA-N 1 1 271.408 3.083 20 30 CGEDMO Cc1cc(C#N)cc(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)c1 ZINC000456955429 394300456 /nfs/dbraw/zinc/30/04/56/394300456.db2.gz BVIXNBYDVFOUCG-QGZVFWFLSA-N 1 1 297.402 3.212 20 30 CGEDMO C=CC[C@H]1[N@H+](Cc2cnc3n2CCC3)CCCC1(C)C ZINC000668069956 542965276 /nfs/dbraw/zinc/96/52/76/542965276.db2.gz FHIUKJJFFYMBGI-OAHLLOKOSA-N 1 1 273.424 3.396 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccncc2)C1 ZINC000668493735 543019827 /nfs/dbraw/zinc/01/98/27/543019827.db2.gz RCFUICIPFXBJBJ-OAHLLOKOSA-N 1 1 296.418 3.270 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc(OC)c(O)c2)C1 ZINC000668492450 543020537 /nfs/dbraw/zinc/02/05/37/543020537.db2.gz BAZMZKAAOKUGFY-CYBMUJFWSA-N 1 1 261.365 3.189 20 30 CGEDMO Cc1[nH+]cn(Cc2cc(Cl)ccc2OCC#N)c1C ZINC000735309411 572714220 /nfs/dbraw/zinc/71/42/20/572714220.db2.gz NDNJHWSJSHYLLZ-UHFFFAOYSA-N 1 1 275.739 3.104 20 30 CGEDMO C[C@@H](CNCc1ccc(C#N)c(F)c1)[N@H+]1CCCC[C@H]1C ZINC000421323727 397702652 /nfs/dbraw/zinc/70/26/52/397702652.db2.gz HCGZCCCLJXJLBO-KGLIPLIRSA-N 1 1 289.398 3.050 20 30 CGEDMO C[C@@H](C[NH2+]Cc1ccc(C#N)c(F)c1)N1CCCC[C@H]1C ZINC000421323727 397702657 /nfs/dbraw/zinc/70/26/57/397702657.db2.gz HCGZCCCLJXJLBO-KGLIPLIRSA-N 1 1 289.398 3.050 20 30 CGEDMO CC1(C)C[N@H+](CC#Cc2ccccc2Cl)CCCO1 ZINC000676714762 543412500 /nfs/dbraw/zinc/41/25/00/543412500.db2.gz FNZFSAIDJBOUNN-UHFFFAOYSA-N 1 1 277.795 3.192 20 30 CGEDMO CC1(C)C[N@@H+](CC#Cc2ccccc2Cl)CCCO1 ZINC000676714762 543412503 /nfs/dbraw/zinc/41/25/03/543412503.db2.gz FNZFSAIDJBOUNN-UHFFFAOYSA-N 1 1 277.795 3.192 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+]1CC[C@H](c2ccccc2)[C@H](CC)C1 ZINC000677048524 543427951 /nfs/dbraw/zinc/42/79/51/543427951.db2.gz ZZSXHRFVUSDPOX-NJAFHUGGSA-N 1 1 273.420 3.439 20 30 CGEDMO C=C(C)[C@@H](CO)[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000677047906 543427962 /nfs/dbraw/zinc/42/79/62/543427962.db2.gz JUWRKPYLBGQCNM-QGZVFWFLSA-N 1 1 255.361 3.209 20 30 CGEDMO COCC#CC[N@H+]1CC[C@@H](C)C[C@H]1c1ccc(C)o1 ZINC000677820722 543468110 /nfs/dbraw/zinc/46/81/10/543468110.db2.gz TZBJMGSSFRYVIR-HIFRSBDPSA-N 1 1 261.365 3.011 20 30 CGEDMO COCC#CC[N@@H+](C)[C@@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000677820265 543468436 /nfs/dbraw/zinc/46/84/36/543468436.db2.gz KSLTWJZHVDXLEQ-ZWKOTPCHSA-N 1 1 271.404 3.213 20 30 CGEDMO COCC#CC[NH2+][C@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000678754804 543553236 /nfs/dbraw/zinc/55/32/36/543553236.db2.gz GFRHZTORPCHMDC-CYBMUJFWSA-N 1 1 289.272 3.059 20 30 CGEDMO C=C(C)[C@H](CO)[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000678796724 543559117 /nfs/dbraw/zinc/55/91/17/543559117.db2.gz INKFYBDDCHTEKB-SKDRFNHKSA-N 1 1 257.736 3.067 20 30 CGEDMO C[N@H+]1CCN(Cc2cccc(C#N)c2)C2(CCCCC2)C1 ZINC000081613437 165164296 /nfs/dbraw/zinc/16/42/96/165164296.db2.gz ZQIKBFDLXKEJSN-UHFFFAOYSA-N 1 1 283.419 3.009 20 30 CGEDMO CN1CC[N@H+](Cc2cccc(C#N)c2)C2(CCCCC2)C1 ZINC000081613437 165164302 /nfs/dbraw/zinc/16/43/02/165164302.db2.gz ZQIKBFDLXKEJSN-UHFFFAOYSA-N 1 1 283.419 3.009 20 30 CGEDMO CN1CC[N@@H+](Cc2cccc(C#N)c2)C2(CCCCC2)C1 ZINC000081613437 165164307 /nfs/dbraw/zinc/16/43/07/165164307.db2.gz ZQIKBFDLXKEJSN-UHFFFAOYSA-N 1 1 283.419 3.009 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000091704070 165268854 /nfs/dbraw/zinc/26/88/54/165268854.db2.gz BRZCEHLDMUXZIG-ZDUSSCGKSA-N 1 1 281.359 3.155 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000091704070 165268858 /nfs/dbraw/zinc/26/88/58/165268858.db2.gz BRZCEHLDMUXZIG-ZDUSSCGKSA-N 1 1 281.359 3.155 20 30 CGEDMO C[C@H](c1ccccn1)[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000091703559 165269985 /nfs/dbraw/zinc/26/99/85/165269985.db2.gz DUFLVWIDVAFQDM-OAHLLOKOSA-N 1 1 295.386 3.415 20 30 CGEDMO N#Cc1ccc(C[NH+]2CCC(Nc3ccc(F)cc3)CC2)o1 ZINC000092187971 165282715 /nfs/dbraw/zinc/28/27/15/165282715.db2.gz ZUXADAZHXWNWFO-UHFFFAOYSA-N 1 1 299.349 3.367 20 30 CGEDMO CCc1ccc(C[N@H+](CCOC)Cc2ccc(C#N)cc2)o1 ZINC000092567790 165303193 /nfs/dbraw/zinc/30/31/93/165303193.db2.gz SKEMGTVCKXMFDT-UHFFFAOYSA-N 1 1 298.386 3.362 20 30 CGEDMO CCc1ccc(C[N@@H+](CCOC)Cc2ccc(C#N)cc2)o1 ZINC000092567790 165303194 /nfs/dbraw/zinc/30/31/94/165303194.db2.gz SKEMGTVCKXMFDT-UHFFFAOYSA-N 1 1 298.386 3.362 20 30 CGEDMO CC[C@@H](C)C[N@@H+](CC)Cc1cnc2ccc(C#N)cn12 ZINC000093844909 165339083 /nfs/dbraw/zinc/33/90/83/165339083.db2.gz BXSKUMCJAKEESI-CYBMUJFWSA-N 1 1 270.380 3.074 20 30 CGEDMO C[C@H]1C[C@@H](Nc2ccc(C#N)c(Cl)c2)C[N@H+]1C1CC1 ZINC000122797434 287212734 /nfs/dbraw/zinc/21/27/34/287212734.db2.gz NUZUMKUFYMULRN-GXFFZTMASA-N 1 1 275.783 3.249 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000285637015 196351395 /nfs/dbraw/zinc/35/13/95/196351395.db2.gz XMPQJYQKUYAVAH-CYBMUJFWSA-N 1 1 294.354 3.219 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCOc2cc(O)ccc2C1 ZINC000285637015 196351397 /nfs/dbraw/zinc/35/13/97/196351397.db2.gz XMPQJYQKUYAVAH-CYBMUJFWSA-N 1 1 294.354 3.219 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000071170401 176051042 /nfs/dbraw/zinc/05/10/42/176051042.db2.gz DFAZEWOUVFZNRT-CQSZACIVSA-N 1 1 258.365 3.182 20 30 CGEDMO N#CC1(CC[N@@H+]2CC[C@@H](O)CC23CCC3)CCCCC1 ZINC000334969613 225379003 /nfs/dbraw/zinc/37/90/03/225379003.db2.gz WWWBHNAYEOTZTG-OAHLLOKOSA-N 1 1 276.424 3.230 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000682435251 543845078 /nfs/dbraw/zinc/84/50/78/543845078.db2.gz OWVIMXSWPBNQQV-QGZVFWFLSA-N 1 1 285.387 3.087 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CC[C@@H](c2ccc(C)cc2C)C1 ZINC000684211726 543973119 /nfs/dbraw/zinc/97/31/19/543973119.db2.gz UMNABGLQJCPMEI-WBVHZDCISA-N 1 1 259.393 3.030 20 30 CGEDMO C=CC[N@H+](Cc1oc(C)nc1C)Cc1ccc(OC)cc1 ZINC000683899454 543952872 /nfs/dbraw/zinc/95/28/72/543952872.db2.gz VVZHEOPAYHDUNN-UHFFFAOYSA-N 1 1 286.375 3.488 20 30 CGEDMO C=CC[N@@H+](Cc1oc(C)nc1C)Cc1ccc(OC)cc1 ZINC000683899454 543952874 /nfs/dbraw/zinc/95/28/74/543952874.db2.gz VVZHEOPAYHDUNN-UHFFFAOYSA-N 1 1 286.375 3.488 20 30 CGEDMO C=C(C)C[NH+]1CCC(Nc2cc[nH+]c3c([O-])cccc23)CC1 ZINC000684572753 544015054 /nfs/dbraw/zinc/01/50/54/544015054.db2.gz UWBKKJSNCCKZTH-UHFFFAOYSA-N 1 1 297.402 3.393 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+]2CCc3ccccc3[C@H]2C(C)C)C1=O ZINC000685002235 544050968 /nfs/dbraw/zinc/05/09/68/544050968.db2.gz CHSSOKWVSVPMDV-ZWKOTPCHSA-N 1 1 298.430 3.029 20 30 CGEDMO C[C@H](F)CC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000367134599 227193640 /nfs/dbraw/zinc/19/36/40/227193640.db2.gz ZVKQDNGEVULLSU-ZDUSSCGKSA-N 1 1 258.340 3.395 20 30 CGEDMO C[C@@H]1c2cccn2CC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000334143202 227332774 /nfs/dbraw/zinc/33/27/74/227332774.db2.gz QFWSFXGWRBNDLL-CQSZACIVSA-N 1 1 265.360 3.131 20 30 CGEDMO C[C@@H]1c2cccn2CC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000334143202 227332777 /nfs/dbraw/zinc/33/27/77/227332777.db2.gz QFWSFXGWRBNDLL-CQSZACIVSA-N 1 1 265.360 3.131 20 30 CGEDMO C=CCCn1cc(C[N@H+](C(CC)CC)C2CC2)nn1 ZINC000653536275 419043756 /nfs/dbraw/zinc/04/37/56/419043756.db2.gz QHCYCTLYGQWXOP-UHFFFAOYSA-N 1 1 262.401 3.007 20 30 CGEDMO C=CCCCCCNC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654666956 418993672 /nfs/dbraw/zinc/99/36/72/418993672.db2.gz IAFJLHLORJBQLV-HOTGVXAUSA-N 1 1 293.455 3.049 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@@]2(C)CCCc3ccccc32)nn1 ZINC000653579227 419053822 /nfs/dbraw/zinc/05/38/22/419053822.db2.gz UCCMAAASOHCHCZ-SFHVURJKSA-N 1 1 296.418 3.196 20 30 CGEDMO C=CC[N@@H+](Cc1cc2ccccc2o1)[C@@H](C)COC ZINC000661243669 419244054 /nfs/dbraw/zinc/24/40/54/419244054.db2.gz LQHGQMZRNGFMCJ-ZDUSSCGKSA-N 1 1 259.349 3.456 20 30 CGEDMO C=CC[N@H+](CCCc1cccc(OC)c1)[C@H](C)COC ZINC000661244887 419244758 /nfs/dbraw/zinc/24/47/58/419244758.db2.gz ZLRMXSYVXWGSRW-OAHLLOKOSA-N 1 1 277.408 3.151 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cccc(C(=O)N(C)C)c2)C1 ZINC000661378537 419256062 /nfs/dbraw/zinc/25/60/62/419256062.db2.gz IKKOPRAITFBRNF-OAHLLOKOSA-N 1 1 286.419 3.177 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2nc(N)c3ccccc3n2)C1 ZINC000661381157 419256177 /nfs/dbraw/zinc/25/61/77/419256177.db2.gz WODKCDUMJQAIPM-CYBMUJFWSA-N 1 1 282.391 3.000 20 30 CGEDMO C=C(C)C[NH+]1CCC(NCc2cc(COC)cs2)CC1 ZINC000657353568 419257789 /nfs/dbraw/zinc/25/77/89/419257789.db2.gz RVOMZAGZVPGPSG-UHFFFAOYSA-N 1 1 294.464 3.025 20 30 CGEDMO C=CC[N@@H+](C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000661635838 419281562 /nfs/dbraw/zinc/28/15/62/419281562.db2.gz BKDORYNUOHYUSC-LLVKDONJSA-N 1 1 260.164 3.145 20 30 CGEDMO C=CC[N@H+](C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000661635838 419281565 /nfs/dbraw/zinc/28/15/65/419281565.db2.gz BKDORYNUOHYUSC-LLVKDONJSA-N 1 1 260.164 3.145 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000661666229 419284566 /nfs/dbraw/zinc/28/45/66/419284566.db2.gz VFGACGLTDFXOKR-DLBZAZTESA-N 1 1 259.393 3.051 20 30 CGEDMO C=CCOc1cccc(CN[C@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000657561132 419304851 /nfs/dbraw/zinc/30/48/51/419304851.db2.gz FJRTWHRIRVABOT-INIZCTEOSA-N 1 1 288.435 3.214 20 30 CGEDMO C=CCOc1cccc(C[NH2+][C@H]2CCN(C(C)(C)C)C2)c1 ZINC000657561132 419304853 /nfs/dbraw/zinc/30/48/53/419304853.db2.gz FJRTWHRIRVABOT-INIZCTEOSA-N 1 1 288.435 3.214 20 30 CGEDMO C=CCC1([NH2+]CCCN2CCCCC2)CCCC1 ZINC000661852146 419304864 /nfs/dbraw/zinc/30/48/64/419304864.db2.gz LXKQBXZJIQLFIK-UHFFFAOYSA-N 1 1 250.430 3.341 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661872367 419309286 /nfs/dbraw/zinc/30/92/86/419309286.db2.gz APLLMMSHRHDBKE-RTBURBONSA-N 1 1 283.415 3.319 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(-c2cccs2)no1 ZINC000662082142 419333166 /nfs/dbraw/zinc/33/31/66/419333166.db2.gz YJINFLUFGUTREX-TXEJJXNPSA-N 1 1 287.388 3.481 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(-c2cccs2)no1 ZINC000662082142 419333169 /nfs/dbraw/zinc/33/31/69/419333169.db2.gz YJINFLUFGUTREX-TXEJJXNPSA-N 1 1 287.388 3.481 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnc(-c2ccccc2)n1C ZINC000662087760 419334550 /nfs/dbraw/zinc/33/45/50/419334550.db2.gz JXXWHMKXCHCFJX-IYBDPMFKSA-N 1 1 294.402 3.165 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1N(C)C ZINC000662084072 419335065 /nfs/dbraw/zinc/33/50/65/419335065.db2.gz MPWWSMUPYUNMKC-IYBDPMFKSA-N 1 1 256.393 3.436 20 30 CGEDMO C[C@H](C#N)C[N@H+](C)Cc1cccc(-c2ccncc2)c1 ZINC000352079984 228181070 /nfs/dbraw/zinc/18/10/70/228181070.db2.gz SNPCHRWPFTZAPB-CQSZACIVSA-N 1 1 265.360 3.340 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C)Cc1cccc(-c2ccncc2)c1 ZINC000352079984 228181071 /nfs/dbraw/zinc/18/10/71/228181071.db2.gz SNPCHRWPFTZAPB-CQSZACIVSA-N 1 1 265.360 3.340 20 30 CGEDMO Cc1cc(Br)ccc1C[N@@H+](C)C[C@@H](C)C#N ZINC000352086691 228181157 /nfs/dbraw/zinc/18/11/57/228181157.db2.gz HEJWKIPPBGUDIY-JTQLQIEISA-N 1 1 281.197 3.349 20 30 CGEDMO Cc1cc(Br)ccc1C[N@H+](C)C[C@@H](C)C#N ZINC000352086691 228181158 /nfs/dbraw/zinc/18/11/58/228181158.db2.gz HEJWKIPPBGUDIY-JTQLQIEISA-N 1 1 281.197 3.349 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](C[C@@H](CN)c2ccc(OC)cc2)C1 ZINC000662298325 419388112 /nfs/dbraw/zinc/38/81/12/419388112.db2.gz BFIGGHQCVWCLRP-NVXWUHKLSA-N 1 1 288.435 3.026 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](C[C@@H](CN)c2ccc(OC)cc2)C1 ZINC000662298325 419388115 /nfs/dbraw/zinc/38/81/15/419388115.db2.gz BFIGGHQCVWCLRP-NVXWUHKLSA-N 1 1 288.435 3.026 20 30 CGEDMO C=CC[C@@H](CO)CNc1cc(C(F)(F)F)cc(C)[nH+]1 ZINC000663770409 419708441 /nfs/dbraw/zinc/70/84/41/419708441.db2.gz NDJNTCUMMBRDPP-SNVBAGLBSA-N 1 1 274.286 3.005 20 30 CGEDMO CC1(C#N)CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000221121753 260153090 /nfs/dbraw/zinc/15/30/90/260153090.db2.gz KTBKTFQMOWMIGT-UHFFFAOYSA-N 1 1 273.767 3.337 20 30 CGEDMO COc1c(C)c[nH+]c(CN(CCC#N)CC(C)(C)C)c1C ZINC000078599458 260301052 /nfs/dbraw/zinc/30/10/52/260301052.db2.gz IEGLSNFVLOFIPU-UHFFFAOYSA-N 1 1 289.423 3.469 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000444725056 261134871 /nfs/dbraw/zinc/13/48/71/261134871.db2.gz FWPWBHGBJADONS-YNEHKIRRSA-N 1 1 279.346 3.366 20 30 CGEDMO C#CC[N@@H+](CC[C@H]1CCOC1)[C@@H]1CCc2ccccc21 ZINC000490714834 261191391 /nfs/dbraw/zinc/19/13/91/261191391.db2.gz RMDVXWZIKQMUHH-MAUKXSAKSA-N 1 1 269.388 3.036 20 30 CGEDMO CC[C@@H](CC#N)N[C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000184088943 262007744 /nfs/dbraw/zinc/00/77/44/262007744.db2.gz DVBORSGEXKXQMJ-VJANTYMQSA-N 1 1 297.446 3.179 20 30 CGEDMO C[N@H+](C[C@H](C#N)CCC#N)CC1(c2ccccc2)CC1 ZINC000189308931 262170024 /nfs/dbraw/zinc/17/00/24/262170024.db2.gz QPHDELBMSLLYNA-HNNXBMFYSA-N 1 1 267.376 3.094 20 30 CGEDMO C[N@@H+](C[C@H](C#N)CCC#N)CC1(c2ccccc2)CC1 ZINC000189308931 262170025 /nfs/dbraw/zinc/17/00/25/262170025.db2.gz QPHDELBMSLLYNA-HNNXBMFYSA-N 1 1 267.376 3.094 20 30 CGEDMO CN(C)Cc1cc(C[NH2+][C@H]2CCC[C@H](C#N)C2)ccc1F ZINC000192868345 262211994 /nfs/dbraw/zinc/21/19/94/262211994.db2.gz VNZAFXOUZSLGEA-BBRMVZONSA-N 1 1 289.398 3.059 20 30 CGEDMO CC[N@@H+](CC[C@@H](C)OCc1ccccc1)C[C@H](C)C#N ZINC000354875271 262318152 /nfs/dbraw/zinc/31/81/52/262318152.db2.gz WLNLWKYVMTXDFC-HZPDHXFCSA-N 1 1 274.408 3.463 20 30 CGEDMO CCCCCCCC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000365592642 262372215 /nfs/dbraw/zinc/37/22/15/262372215.db2.gz PSESCWMHEBLKMI-MQVJKMGUSA-N 1 1 280.456 3.478 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](CCCC2(C#N)CCOCC2)CCS1 ZINC000337198554 262432522 /nfs/dbraw/zinc/43/25/22/262432522.db2.gz YFBBGBQJWHXLBG-OAHLLOKOSA-N 1 1 296.480 3.160 20 30 CGEDMO CCC[N@@H+](CC(C)C)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000411203760 262684220 /nfs/dbraw/zinc/68/42/20/262684220.db2.gz SHMJEVDESMTXQZ-OAHLLOKOSA-N 1 1 293.455 3.086 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)C[C@H]1CCCCC1(F)F ZINC000411643526 262703005 /nfs/dbraw/zinc/70/30/05/262703005.db2.gz IHIFJENZBLACOD-CQSZACIVSA-N 1 1 274.399 3.252 20 30 CGEDMO C=CC[N@@H+](C)CCN(CC)C[C@H]1CCCCC1(F)F ZINC000411643526 262703006 /nfs/dbraw/zinc/70/30/06/262703006.db2.gz IHIFJENZBLACOD-CQSZACIVSA-N 1 1 274.399 3.252 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C[C@H]1CCCCC1(F)F ZINC000411643526 262703007 /nfs/dbraw/zinc/70/30/07/262703007.db2.gz IHIFJENZBLACOD-CQSZACIVSA-N 1 1 274.399 3.252 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000411986298 262713851 /nfs/dbraw/zinc/71/38/51/262713851.db2.gz ORTRTTQYTWWALN-KRWDZBQOSA-N 1 1 271.360 3.063 20 30 CGEDMO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C)(C#N)CC1 ZINC000272523799 263005589 /nfs/dbraw/zinc/00/55/89/263005589.db2.gz HREKXSQSHKLEMQ-LBPRGKRZSA-N 1 1 273.336 3.281 20 30 CGEDMO C[C@@H]1CCC[C@H](CO)[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000272642268 263007931 /nfs/dbraw/zinc/00/79/31/263007931.db2.gz LUBUQKKXAIZUIG-GDBMZVCRSA-N 1 1 286.419 3.223 20 30 CGEDMO C[C@H]1COc2ccccc2C[N@H+]1CCC(C)(C)C#N ZINC000273050926 263011851 /nfs/dbraw/zinc/01/18/51/263011851.db2.gz YLLXEPWMELNGPA-ZDUSSCGKSA-N 1 1 258.365 3.209 20 30 CGEDMO Cc1ccccc1OCCC[N@H+](C)[C@@H]1CC[C@H](C#N)C1 ZINC000278701670 263049869 /nfs/dbraw/zinc/04/98/69/263049869.db2.gz SYVWDLFZJPTMKX-JKSUJKDBSA-N 1 1 272.392 3.388 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000285403997 263092825 /nfs/dbraw/zinc/09/28/25/263092825.db2.gz OZTUPVXZHFEYHL-AWEZNQCLSA-N 1 1 260.385 3.267 20 30 CGEDMO CN(C)CC[N@@H+](Cc1ccccc1)CC(C)(C)CCC#N ZINC000289725481 263111552 /nfs/dbraw/zinc/11/15/52/263111552.db2.gz HOKBPSAEPNLXLJ-UHFFFAOYSA-N 1 1 287.451 3.380 20 30 CGEDMO C[NH+](C)CCN(Cc1ccccc1)CC(C)(C)CCC#N ZINC000289725481 263111553 /nfs/dbraw/zinc/11/15/53/263111553.db2.gz HOKBPSAEPNLXLJ-UHFFFAOYSA-N 1 1 287.451 3.380 20 30 CGEDMO C[C@@H](c1ccccc1)[N@@H+](CCOCCC#N)C1CC1 ZINC000292723103 263134628 /nfs/dbraw/zinc/13/46/28/263134628.db2.gz FZHKGKMEZLZWQV-AWEZNQCLSA-N 1 1 258.365 3.142 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)Cc1cccc(C)c1 ZINC000340408019 263136760 /nfs/dbraw/zinc/13/67/60/263136760.db2.gz IIOJPCGPMURNQY-INIZCTEOSA-N 1 1 288.435 3.240 20 30 CGEDMO COc1ccccc1[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000293009313 263136941 /nfs/dbraw/zinc/13/69/41/263136941.db2.gz HHDJRBYEUBNGNH-RBSFLKMASA-N 1 1 270.376 3.177 20 30 CGEDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@H]1CC[C@@H](C#N)C1 ZINC000293493576 263142088 /nfs/dbraw/zinc/14/20/88/263142088.db2.gz NHDFMDDEDGERAF-HIFRSBDPSA-N 1 1 288.391 3.218 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC=C(c3ccccc3)C2)C1 ZINC000294208899 263157908 /nfs/dbraw/zinc/15/79/08/263157908.db2.gz RSSQWNZITTVDQV-RHSMWYFYSA-N 1 1 252.361 3.468 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)[C@@H]1CC[C@H](C#N)C1 ZINC000298324553 263217627 /nfs/dbraw/zinc/21/76/27/263217627.db2.gz ZKXFXEOIOIIKHF-JKSUJKDBSA-N 1 1 270.376 3.375 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)[C@H]1CC[C@H](C#N)C1 ZINC000298324546 263217865 /nfs/dbraw/zinc/21/78/65/263217865.db2.gz ZKXFXEOIOIIKHF-HOTGVXAUSA-N 1 1 270.376 3.375 20 30 CGEDMO COc1ccccc1O[C@H]1CCC[N@H+]([C@@H](C)CCC#N)C1 ZINC000298507044 263220553 /nfs/dbraw/zinc/22/05/53/263220553.db2.gz KLVGGJLQWDKJSG-GJZGRUSLSA-N 1 1 288.391 3.231 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000299186511 263234016 /nfs/dbraw/zinc/23/40/16/263234016.db2.gz AMTNSHPHHQSLAJ-OLZOCXBDSA-N 1 1 278.783 3.485 20 30 CGEDMO C=CCOc1ccc(C[NH2+][C@H](CN)C(C)(C)C)cc1Cl ZINC000415061589 263259082 /nfs/dbraw/zinc/25/90/82/263259082.db2.gz YSBPPNIWXIEVQL-OAHLLOKOSA-N 1 1 296.842 3.368 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)CC2CCOCC2)cc1 ZINC000340668224 263277784 /nfs/dbraw/zinc/27/77/84/263277784.db2.gz KKRFYRXXJUIPHR-UHFFFAOYSA-N 1 1 275.392 3.110 20 30 CGEDMO C=CC[N@@H+](Cc1ncc(C)cn1)CC1CCCCC1 ZINC000340919842 263315219 /nfs/dbraw/zinc/31/52/19/263315219.db2.gz YKTYJMJLTPXSKK-UHFFFAOYSA-N 1 1 259.397 3.353 20 30 CGEDMO C=CC[N@H+](Cc1ncc(C)cn1)CC1CCCCC1 ZINC000340919842 263315220 /nfs/dbraw/zinc/31/52/20/263315220.db2.gz YKTYJMJLTPXSKK-UHFFFAOYSA-N 1 1 259.397 3.353 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C(C)C)C1CCCC1 ZINC000341982381 263369959 /nfs/dbraw/zinc/36/99/59/263369959.db2.gz GVVQJMBPGMHMEQ-UHFFFAOYSA-N 1 1 266.429 3.064 20 30 CGEDMO C=C(C)COc1cc(C[NH+]2CCSCC2)ccc1OC ZINC000126240115 264210470 /nfs/dbraw/zinc/21/04/70/264210470.db2.gz LQCUJGTYEDUEMH-UHFFFAOYSA-N 1 1 293.432 3.199 20 30 CGEDMO C[N@H+](Cc1ccc(OC(F)F)cc1)CC1(C#N)CC1 ZINC000343256868 264222702 /nfs/dbraw/zinc/22/27/02/264222702.db2.gz DMMPLGYWCIQEJL-UHFFFAOYSA-N 1 1 266.291 3.024 20 30 CGEDMO C[N@@H+](Cc1ccc(OC(F)F)cc1)CC1(C#N)CC1 ZINC000343256868 264222703 /nfs/dbraw/zinc/22/27/03/264222703.db2.gz DMMPLGYWCIQEJL-UHFFFAOYSA-N 1 1 266.291 3.024 20 30 CGEDMO COc1ccc([C@H]2CCC[N@@H+]2CC2(C#N)CC2)cc1OC ZINC000343258069 264225421 /nfs/dbraw/zinc/22/54/21/264225421.db2.gz GXZMZXQWWLPFMR-CQSZACIVSA-N 1 1 286.375 3.144 20 30 CGEDMO COc1ccc([C@H]2CCC[N@H+]2CC2(C#N)CC2)cc1OC ZINC000343258069 264225424 /nfs/dbraw/zinc/22/54/24/264225424.db2.gz GXZMZXQWWLPFMR-CQSZACIVSA-N 1 1 286.375 3.144 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000127506908 264255235 /nfs/dbraw/zinc/25/52/35/264255235.db2.gz YMISHHSLGRGYHT-SFHVURJKSA-N 1 1 280.371 3.364 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@H](OC)C1CC1 ZINC000425407727 264284517 /nfs/dbraw/zinc/28/45/17/264284517.db2.gz PUDFLODTESZPML-KRWDZBQOSA-N 1 1 275.392 3.108 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cnc(C2OCCO2)s1 ZINC000290108649 264753436 /nfs/dbraw/zinc/75/34/36/264753436.db2.gz SNPVDDYCWGFXHS-UHFFFAOYSA-N 1 1 296.436 3.367 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](O)CC2)cc1Cl ZINC000294113313 265006871 /nfs/dbraw/zinc/00/68/71/265006871.db2.gz STCPMDFNRJELFI-CQSZACIVSA-N 1 1 295.810 3.252 20 30 CGEDMO N#CC1(C[N@@H+]2CCC[C@H]2/C=C\c2ccccc2)CC1 ZINC000356376941 266105111 /nfs/dbraw/zinc/10/51/11/266105111.db2.gz WMADXDKMGZIIKN-QWGSZXSUSA-N 1 1 252.361 3.468 20 30 CGEDMO N#CC1(C[N@H+]2CCC[C@H]2/C=C\c2ccccc2)CC1 ZINC000356376941 266105114 /nfs/dbraw/zinc/10/51/14/266105114.db2.gz WMADXDKMGZIIKN-QWGSZXSUSA-N 1 1 252.361 3.468 20 30 CGEDMO C=CCCCN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000363135978 267075986 /nfs/dbraw/zinc/07/59/86/267075986.db2.gz BJDODVVMOTWHJO-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO N#Cc1cnc(NC[C@@H]2CC[N@H+]2C2CCCC2)c(Cl)c1 ZINC000528211722 270157994 /nfs/dbraw/zinc/15/79/94/270157994.db2.gz UYFAHQLYZHXBMU-ZDUSSCGKSA-N 1 1 290.798 3.035 20 30 CGEDMO CCCCCCC[N@@H+](C)C1CCN(c2ncccn2)CC1 ZINC000370081013 267289499 /nfs/dbraw/zinc/28/94/99/267289499.db2.gz CNELIDOSGFLKRD-UHFFFAOYSA-N 1 1 290.455 3.348 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000120111927 267382330 /nfs/dbraw/zinc/38/23/30/267382330.db2.gz NGNITJBJWDXNFO-QLFBSQMISA-N 1 1 266.429 3.062 20 30 CGEDMO C[C@H]1CC(F)(F)CC[N@@H+]1Cc1cccc(C#N)c1F ZINC000528775066 270172915 /nfs/dbraw/zinc/17/29/15/270172915.db2.gz WVALYPQYVFGNTP-JTQLQIEISA-N 1 1 268.282 3.317 20 30 CGEDMO C[C@H]1CC(F)(F)CC[N@H+]1Cc1cccc(C#N)c1F ZINC000528775066 270172916 /nfs/dbraw/zinc/17/29/16/270172916.db2.gz WVALYPQYVFGNTP-JTQLQIEISA-N 1 1 268.282 3.317 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000123219277 268016407 /nfs/dbraw/zinc/01/64/07/268016407.db2.gz GGXZJASNOABEDG-MRXNPFEDSA-N 1 1 263.356 3.117 20 30 CGEDMO CC[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@@H](C)C(C)C ZINC000459330339 276139710 /nfs/dbraw/zinc/13/97/10/276139710.db2.gz RITUTPVEZZQFJD-LBPRGKRZSA-N 1 1 275.352 3.333 20 30 CGEDMO CCC[C@]1(CO)CC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000288899702 276294111 /nfs/dbraw/zinc/29/41/11/276294111.db2.gz SMCGGPZADUYIHW-PBHICJAKSA-N 1 1 272.392 3.104 20 30 CGEDMO CC[N@@H+](CCC(=O)Nc1ccccc1C#N)C1CCCC1 ZINC000035766146 276342158 /nfs/dbraw/zinc/34/21/58/276342158.db2.gz XEKWEGWSZCUJQV-UHFFFAOYSA-N 1 1 285.391 3.151 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000246387013 278306382 /nfs/dbraw/zinc/30/63/82/278306382.db2.gz NVFXNDSOYDAGHU-CHWSQXEVSA-N 1 1 258.365 3.119 20 30 CGEDMO C[C@@H](NCC[C@H]1CCCC[N@@H+]1C)c1ccc(C#N)cc1 ZINC000052205648 278348428 /nfs/dbraw/zinc/34/84/28/278348428.db2.gz LOZMUVUEGLFARY-RHSMWYFYSA-N 1 1 271.408 3.083 20 30 CGEDMO C[C@@H](NCC[C@H]1CCCC[N@H+]1C)c1ccc(C#N)cc1 ZINC000052205648 278348430 /nfs/dbraw/zinc/34/84/30/278348430.db2.gz LOZMUVUEGLFARY-RHSMWYFYSA-N 1 1 271.408 3.083 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](C3CC3)C2)c(Cl)c1 ZINC000400242720 288055040 /nfs/dbraw/zinc/05/50/40/288055040.db2.gz RVJDPPWYYNXSJX-ZDUSSCGKSA-N 1 1 260.768 3.444 20 30 CGEDMO COc1cc(C#N)ccc1C[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000541643403 288714501 /nfs/dbraw/zinc/71/45/01/288714501.db2.gz XLCUIULILNVHPB-ZDUSSCGKSA-N 1 1 298.390 3.195 20 30 CGEDMO Cc1ccc(C#N)cc1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000548392531 289003058 /nfs/dbraw/zinc/00/30/58/289003058.db2.gz AKZVNLCKXWCRTM-UHFFFAOYSA-N 1 1 299.418 3.460 20 30 CGEDMO CN(C)CC[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CC=CCC1 ZINC000348904722 289144939 /nfs/dbraw/zinc/14/49/39/289144939.db2.gz NFMCIZAZERXTIT-GOSISDBHSA-N 1 1 297.446 3.278 20 30 CGEDMO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C[C@@H]1CC=CCC1 ZINC000348904722 289144942 /nfs/dbraw/zinc/14/49/42/289144942.db2.gz NFMCIZAZERXTIT-GOSISDBHSA-N 1 1 297.446 3.278 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292883213 290222125 /nfs/dbraw/zinc/22/21/25/290222125.db2.gz FEKFJMRABBMYPY-CRAIPNDOSA-N 1 1 283.419 3.037 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000292883213 290222127 /nfs/dbraw/zinc/22/21/27/290222127.db2.gz FEKFJMRABBMYPY-CRAIPNDOSA-N 1 1 283.419 3.037 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000292883213 290222128 /nfs/dbraw/zinc/22/21/28/290222128.db2.gz FEKFJMRABBMYPY-CRAIPNDOSA-N 1 1 283.419 3.037 20 30 CGEDMO CCn1c2ccccc2nc1C[NH+]1CCC(CC#N)CC1 ZINC000540995897 328036613 /nfs/dbraw/zinc/03/66/13/328036613.db2.gz IVRXKMLVPXXZMU-UHFFFAOYSA-N 1 1 282.391 3.182 20 30 CGEDMO CSc1cc(Br)ccc1C[NH2+]C[C@@H](C)C#N ZINC000309922418 328061260 /nfs/dbraw/zinc/06/12/60/328061260.db2.gz SWKBQRJSWCKREZ-VIFPVBQESA-N 1 1 299.237 3.420 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000336703089 328130054 /nfs/dbraw/zinc/13/00/54/328130054.db2.gz FVFAWITVZXRGLS-QZTJIDSGSA-N 1 1 270.420 3.016 20 30 CGEDMO C=CCC[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000336703089 328130056 /nfs/dbraw/zinc/13/00/56/328130056.db2.gz FVFAWITVZXRGLS-QZTJIDSGSA-N 1 1 270.420 3.016 20 30 CGEDMO C=CC[N@H+](C)Cc1cccc(OCC)c1OCCC ZINC000154767338 328137029 /nfs/dbraw/zinc/13/70/29/328137029.db2.gz YUECQZFATROASU-UHFFFAOYSA-N 1 1 263.381 3.492 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCSC[C@@H]1C1CC1 ZINC000451645716 328159130 /nfs/dbraw/zinc/15/91/30/328159130.db2.gz FUCSRGBVBJCVIT-CYBMUJFWSA-N 1 1 252.427 3.144 20 30 CGEDMO N#CCC[C@@H](C#N)C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000264909363 328162932 /nfs/dbraw/zinc/16/29/32/328162932.db2.gz YRPPQVNRARJIQJ-ZFWWWQNUSA-N 1 1 271.339 3.059 20 30 CGEDMO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000264909363 328162933 /nfs/dbraw/zinc/16/29/33/328162933.db2.gz YRPPQVNRARJIQJ-ZFWWWQNUSA-N 1 1 271.339 3.059 20 30 CGEDMO C[C@H](O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000269021597 328188778 /nfs/dbraw/zinc/18/87/78/328188778.db2.gz ZGUVZLOZPCLRJR-YOEHRIQHSA-N 1 1 286.419 3.223 20 30 CGEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@H]1CC[C@H](O)CC1 ZINC000275824366 328216452 /nfs/dbraw/zinc/21/64/52/328216452.db2.gz HPPJNBJXGGFATN-WKILWMFISA-N 1 1 286.419 3.223 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC1CC1 ZINC000177034964 329180638 /nfs/dbraw/zinc/18/06/38/329180638.db2.gz HSBUOAJTEAWWCS-UHFFFAOYSA-N 1 1 267.294 3.399 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCc2ccccc2[C@@H]1CO ZINC000277751396 328222183 /nfs/dbraw/zinc/22/21/83/328222183.db2.gz PPTCJHQDKOXCHS-KRWDZBQOSA-N 1 1 286.419 3.298 20 30 CGEDMO CCOc1ccc(C[NH+]2CCC(C)(C#N)CC2)cc1F ZINC000278396844 328225265 /nfs/dbraw/zinc/22/52/65/328225265.db2.gz BDTWMLQUSICOSM-UHFFFAOYSA-N 1 1 276.355 3.350 20 30 CGEDMO C[N@H+](Cc1nc(-c2ccccc2)c[nH]1)[C@@H]1CC[C@H](C#N)C1 ZINC000278623446 328228638 /nfs/dbraw/zinc/22/86/38/328228638.db2.gz NMYXQXTUBPTWSP-DZGCQCFKSA-N 1 1 280.375 3.201 20 30 CGEDMO C[N@@H+](Cc1nc(-c2ccccc2)c[nH]1)[C@@H]1CC[C@H](C#N)C1 ZINC000278623446 328228640 /nfs/dbraw/zinc/22/86/40/328228640.db2.gz NMYXQXTUBPTWSP-DZGCQCFKSA-N 1 1 280.375 3.201 20 30 CGEDMO CC(C)C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000565782715 322091071 /nfs/dbraw/zinc/09/10/71/322091071.db2.gz JHDFENYRNRIWIV-AWEZNQCLSA-N 1 1 257.381 3.211 20 30 CGEDMO N#Cc1ccc(C[N@@H+](Cc2ccc(F)cc2)C2CC2)nc1 ZINC000566045900 322101812 /nfs/dbraw/zinc/10/18/12/322101812.db2.gz WUJIWHAZBCYDMB-UHFFFAOYSA-N 1 1 281.334 3.257 20 30 CGEDMO N#Cc1ccc(C[N@H+](Cc2ccc(F)cc2)C2CC2)nc1 ZINC000566045900 322101813 /nfs/dbraw/zinc/10/18/13/322101813.db2.gz WUJIWHAZBCYDMB-UHFFFAOYSA-N 1 1 281.334 3.257 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C#N)cn1)[C@@H](C)c1ccccc1 ZINC000566415962 322121066 /nfs/dbraw/zinc/12/10/66/322121066.db2.gz COEZQSOQOIARHN-HNNXBMFYSA-N 1 1 295.386 3.163 20 30 CGEDMO C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000571350077 322296348 /nfs/dbraw/zinc/29/63/48/322296348.db2.gz BCOPMWGJXVWWNL-AWEZNQCLSA-N 1 1 298.361 3.080 20 30 CGEDMO C=CCCC[C@H](C)[NH+]1CCC(CCN2CCOCC2)CC1 ZINC000557432423 327005513 /nfs/dbraw/zinc/00/55/13/327005513.db2.gz UJVJWAYHMQGUJB-KRWDZBQOSA-N 1 1 294.483 3.166 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000559098118 327141086 /nfs/dbraw/zinc/14/10/86/327141086.db2.gz SWQHZMMFOLGQOF-ZDUSSCGKSA-N 1 1 283.318 3.065 20 30 CGEDMO C=CCOCC[N@@H+]1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000559106945 327141784 /nfs/dbraw/zinc/14/17/84/327141784.db2.gz PEOOPQOSHFTSOY-XJKSGUPXSA-N 1 1 263.356 3.411 20 30 CGEDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)CCC(C)(C)C#N ZINC000119733273 327262080 /nfs/dbraw/zinc/26/20/80/327262080.db2.gz SPJCOTZULQVDSV-ZDUSSCGKSA-N 1 1 260.381 3.195 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H]2CCO)cc1Cl ZINC000428459681 327380647 /nfs/dbraw/zinc/38/06/47/327380647.db2.gz NEXSJMTYAIYGIO-CQSZACIVSA-N 1 1 295.810 3.252 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000305100961 329004327 /nfs/dbraw/zinc/00/43/27/329004327.db2.gz XTTABPSQCAULJD-BZSNNMDCSA-N 1 1 284.403 3.085 20 30 CGEDMO CCCCCCCCC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000377426128 329014849 /nfs/dbraw/zinc/01/48/49/329014849.db2.gz LRDUMTCGRVZUMT-CVEARBPZSA-N 1 1 280.456 3.480 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH+]1CCC(OCC2CCCC2)CC1 ZINC000175601915 329170281 /nfs/dbraw/zinc/17/02/81/329170281.db2.gz ZFEQFMQJNLUHHJ-INIZCTEOSA-N 1 1 289.423 3.101 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(OCC2CCCC2)CC1 ZINC000175602147 329170448 /nfs/dbraw/zinc/17/04/48/329170448.db2.gz ZVSFZNSNTLNRTH-UHFFFAOYSA-N 1 1 257.805 3.410 20 30 CGEDMO CC[N@@H+](CC#Cc1ccc(Cl)cc1)C[C@H]1CCCO1 ZINC000177176296 329180481 /nfs/dbraw/zinc/18/04/81/329180481.db2.gz ANRDPCSHQCXHPE-MRXNPFEDSA-N 1 1 277.795 3.192 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)[C@H](C)COC)cc1Cl ZINC000179366027 329204595 /nfs/dbraw/zinc/20/45/95/329204595.db2.gz SEWFBHJTWKYMKF-GFCCVEGCSA-N 1 1 283.799 3.372 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000181261248 329228499 /nfs/dbraw/zinc/22/84/99/329228499.db2.gz NQXLYHMUXXXOAE-CQSZACIVSA-N 1 1 260.381 3.138 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000181261248 329228500 /nfs/dbraw/zinc/22/85/00/329228500.db2.gz NQXLYHMUXXXOAE-CQSZACIVSA-N 1 1 260.381 3.138 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)N[C@@H](CC)c1ccc(Cl)cc1 ZINC000181308743 329230903 /nfs/dbraw/zinc/23/09/03/329230903.db2.gz YKXYXRFEUSBWQP-HNNXBMFYSA-N 1 1 294.826 3.415 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000185632645 329328336 /nfs/dbraw/zinc/32/83/36/329328336.db2.gz IECJFLYVXGFOPK-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO CC(C)[NH+](CCCN[C@H]1CCC[C@H](C#N)C1)C(C)C ZINC000185853975 329333649 /nfs/dbraw/zinc/33/36/49/329333649.db2.gz ZKEPSHOXCHIEMR-HOTGVXAUSA-N 1 1 265.445 3.167 20 30 CGEDMO CCCOc1cc(C[NH+]2CCC(C#N)CC2)ccc1OC ZINC000123746059 329562316 /nfs/dbraw/zinc/56/23/16/329562316.db2.gz GODMTYGVPSRQEL-UHFFFAOYSA-N 1 1 288.391 3.220 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1nc(C)cs1 ZINC000272342229 330085182 /nfs/dbraw/zinc/08/51/82/330085182.db2.gz YXIBTMJSTWUNGX-UHFFFAOYSA-N 1 1 262.378 3.275 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1nc(C)cs1 ZINC000272342229 330085183 /nfs/dbraw/zinc/08/51/83/330085183.db2.gz YXIBTMJSTWUNGX-UHFFFAOYSA-N 1 1 262.378 3.275 20 30 CGEDMO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433042555 330129955 /nfs/dbraw/zinc/12/99/55/330129955.db2.gz AMNQVCNFMWWNII-RDJZCZTQSA-N 1 1 267.376 3.310 20 30 CGEDMO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433042555 330129957 /nfs/dbraw/zinc/12/99/57/330129957.db2.gz AMNQVCNFMWWNII-RDJZCZTQSA-N 1 1 267.376 3.310 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000527481508 330248442 /nfs/dbraw/zinc/24/84/42/330248442.db2.gz RZNUZNXFNPIQCP-QGZVFWFLSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCn1cc(C[NH2+][C@@H]2C[C@H](C(C)C)c3ccccc32)nn1 ZINC000424297892 330336506 /nfs/dbraw/zinc/33/65/06/330336506.db2.gz RHGISKKBVSHJCD-QZTJIDSGSA-N 1 1 296.418 3.438 20 30 CGEDMO C=C[C@@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000548719782 330345775 /nfs/dbraw/zinc/34/57/75/330345775.db2.gz CPURKWMPKZEXTO-OAHLLOKOSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000533299149 330356539 /nfs/dbraw/zinc/35/65/39/330356539.db2.gz DBGFDHNPEGTVAT-KLHDSHLOSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCCC[N@H+](C)Cc1nc(C)c2ccccc2n1 ZINC000117877433 330366183 /nfs/dbraw/zinc/36/61/83/330366183.db2.gz INCGOCAQJVVRKA-UHFFFAOYSA-N 1 1 255.365 3.336 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(Cl)cc1)[C@H]1CCSC1 ZINC000089935970 330388837 /nfs/dbraw/zinc/38/88/37/330388837.db2.gz WPVQFBZQEFLGCK-AWEZNQCLSA-N 1 1 265.809 3.129 20 30 CGEDMO C=CC[N@@H+](C)[C@H](C)C(=O)Nc1cccc2ccccc21 ZINC000121168051 330396919 /nfs/dbraw/zinc/39/69/19/330396919.db2.gz QNYXHTASVBXETH-CYBMUJFWSA-N 1 1 268.360 3.285 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)C(=O)Nc1cccc2ccccc21 ZINC000121168051 330396920 /nfs/dbraw/zinc/39/69/20/330396920.db2.gz QNYXHTASVBXETH-CYBMUJFWSA-N 1 1 268.360 3.285 20 30 CGEDMO N#CC1(F)CC[NH+](CCCC(=O)c2ccc(F)cc2)CC1 ZINC000450975409 331009470 /nfs/dbraw/zinc/00/94/70/331009470.db2.gz OSTIFOQVOROZPC-UHFFFAOYSA-N 1 1 292.329 3.116 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000451218520 331021008 /nfs/dbraw/zinc/02/10/08/331021008.db2.gz RKEWDKCAEFQUKC-HNNXBMFYSA-N 1 1 280.456 3.346 20 30 CGEDMO CO[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1C ZINC000451543070 331033506 /nfs/dbraw/zinc/03/35/06/331033506.db2.gz KTZOBKXWASJHMH-CJNGLKHVSA-N 1 1 277.795 3.048 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000451554484 331034079 /nfs/dbraw/zinc/03/40/79/331034079.db2.gz ZZCTUBSJIHNHPA-UNEWFSDZSA-N 1 1 299.374 3.466 20 30 CGEDMO C[N@@H+](CCCC(C)(C)C#N)[C@H](CO)CC(C)(C)C ZINC000451787917 331042041 /nfs/dbraw/zinc/04/20/41/331042041.db2.gz YKOGYCCYLPDPIM-ZDUSSCGKSA-N 1 1 254.418 3.045 20 30 CGEDMO COCC[N@@H+](CCCC#N)Cc1ccc(F)c(Cl)c1 ZINC000451976977 331049221 /nfs/dbraw/zinc/04/92/21/331049221.db2.gz NWFAPFCXPWSILM-UHFFFAOYSA-N 1 1 284.762 3.231 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](N(C)CC#Cc2ccc(Cl)cc2)C1 ZINC000452121307 331054963 /nfs/dbraw/zinc/05/49/63/331054963.db2.gz SKDSSIZAXHTFPO-KRWDZBQOSA-N 1 1 290.838 3.106 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C1CC(OC(C)C)C1 ZINC000459466937 331283102 /nfs/dbraw/zinc/28/31/02/331283102.db2.gz PLORKJIDFAQAFJ-UHFFFAOYSA-N 1 1 293.407 3.106 20 30 CGEDMO Cc1cc(C[NH2+]CC(C)(C)C#N)ccc1Br ZINC000164686409 331284571 /nfs/dbraw/zinc/28/45/71/331284571.db2.gz BHAGTRIIWPVNFT-UHFFFAOYSA-N 1 1 281.197 3.397 20 30 CGEDMO C[C@@H](C[N@@H+](C)CC(C)(C)CCC#N)C(=O)OC(C)(C)C ZINC000459756030 331298661 /nfs/dbraw/zinc/29/86/61/331298661.db2.gz FNASDXGOQQOUQG-ZDUSSCGKSA-N 1 1 282.428 3.226 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(C)ccc1C ZINC000489414426 332050871 /nfs/dbraw/zinc/05/08/71/332050871.db2.gz ZZPGFWDTWXVCBC-OAHLLOKOSA-N 1 1 272.392 3.282 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(C)ccc1C ZINC000489414426 332050873 /nfs/dbraw/zinc/05/08/73/332050873.db2.gz ZZPGFWDTWXVCBC-OAHLLOKOSA-N 1 1 272.392 3.282 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(SC)cc1 ZINC000489460147 332054005 /nfs/dbraw/zinc/05/40/05/332054005.db2.gz USALSVBPKSGGCK-CQSZACIVSA-N 1 1 290.432 3.388 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(SC)cc1 ZINC000489460147 332054006 /nfs/dbraw/zinc/05/40/06/332054006.db2.gz USALSVBPKSGGCK-CQSZACIVSA-N 1 1 290.432 3.388 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1Cl ZINC000489469054 332054466 /nfs/dbraw/zinc/05/44/66/332054466.db2.gz CPYPHZWAVVGUEB-KBPBESRZSA-N 1 1 295.810 3.120 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000489475519 332054940 /nfs/dbraw/zinc/05/49/40/332054940.db2.gz HBTLKHWAKDXRQM-ZDUSSCGKSA-N 1 1 276.336 3.144 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000489475519 332054941 /nfs/dbraw/zinc/05/49/41/332054941.db2.gz HBTLKHWAKDXRQM-ZDUSSCGKSA-N 1 1 276.336 3.144 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)C/C(C)=C/c1ccccc1COC ZINC000491072550 332147023 /nfs/dbraw/zinc/14/70/23/332147023.db2.gz STDGVNFDLMIGQO-ATGUSINASA-N 1 1 257.377 3.190 20 30 CGEDMO C=CCCC[N@H+]1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000491195461 332164062 /nfs/dbraw/zinc/16/40/62/332164062.db2.gz JZVYXAPPUFSDDT-INIZCTEOSA-N 1 1 263.356 3.474 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)[C@H](C)c1ccccn1 ZINC000491219222 332167743 /nfs/dbraw/zinc/16/77/43/332167743.db2.gz CYPUYGQLOCGBCM-OAHLLOKOSA-N 1 1 250.345 3.278 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)[C@H](C)c1ccccn1 ZINC000491219222 332167745 /nfs/dbraw/zinc/16/77/45/332167745.db2.gz CYPUYGQLOCGBCM-OAHLLOKOSA-N 1 1 250.345 3.278 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000491304205 332185836 /nfs/dbraw/zinc/18/58/36/332185836.db2.gz DXFXKOXQHXMDGR-SNVBAGLBSA-N 1 1 266.266 3.031 20 30 CGEDMO C#CC[N@H+](Cc1cnc(-c2cccs2)s1)C1CC1 ZINC000491637893 332258713 /nfs/dbraw/zinc/25/87/13/332258713.db2.gz XGEVSCZGQKQVEG-UHFFFAOYSA-N 1 1 274.414 3.469 20 30 CGEDMO C#CC[N@@H+](Cc1cnc(-c2cccs2)s1)C1CC1 ZINC000491637893 332258715 /nfs/dbraw/zinc/25/87/15/332258715.db2.gz XGEVSCZGQKQVEG-UHFFFAOYSA-N 1 1 274.414 3.469 20 30 CGEDMO C#CC[N@@H+](Cc1cncc(F)c1)[C@@H]1CCc2ccccc21 ZINC000491644710 332262780 /nfs/dbraw/zinc/26/27/80/332262780.db2.gz LBGPYOUNYGCWPP-GOSISDBHSA-N 1 1 280.346 3.343 20 30 CGEDMO C#CC[N@H+](Cc1cncc(F)c1)[C@@H]1CCc2ccccc21 ZINC000491644710 332262781 /nfs/dbraw/zinc/26/27/81/332262781.db2.gz LBGPYOUNYGCWPP-GOSISDBHSA-N 1 1 280.346 3.343 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1ccc(F)cc1 ZINC000491709896 332302023 /nfs/dbraw/zinc/30/20/23/332302023.db2.gz SLHWWNDECLOKSB-QGZVFWFLSA-N 1 1 294.329 3.170 20 30 CGEDMO CCO[C@@H]1C[C@H]([N@@H+](C)CCCC(C)(C)C#N)C1(C)C ZINC000174872411 333009519 /nfs/dbraw/zinc/00/95/19/333009519.db2.gz CSQVKCZJMCGMAQ-UONOGXRCSA-N 1 1 266.429 3.452 20 30 CGEDMO C=C(C)CC[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309789943 333049432 /nfs/dbraw/zinc/04/94/32/333049432.db2.gz OIUZWQSGKNUJRC-WMZOPIPTSA-N 1 1 272.436 3.453 20 30 CGEDMO C=C(CC)C[NH2+][C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000517057828 333091182 /nfs/dbraw/zinc/09/11/82/333091182.db2.gz VCVSZFCKQWZQCZ-GFCCVEGCSA-N 1 1 287.363 3.362 20 30 CGEDMO CC#CCCCC(=O)N1CCC(C[N@H+](C)CCCC)CC1 ZINC000185230063 333137231 /nfs/dbraw/zinc/13/72/31/333137231.db2.gz JJUGCBMZIVZCNV-UHFFFAOYSA-N 1 1 292.467 3.151 20 30 CGEDMO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@@H+]1CCCCC#N ZINC000187455518 333171024 /nfs/dbraw/zinc/17/10/24/333171024.db2.gz OZBIWICXGGKQDN-OKILXGFUSA-N 1 1 295.427 3.010 20 30 CGEDMO C[C@H]([N@@H+](C)CCCC1(C#N)CCOCC1)C(C)(C)C ZINC000521827177 333190542 /nfs/dbraw/zinc/19/05/42/333190542.db2.gz HGVMALOQTLLXQK-AWEZNQCLSA-N 1 1 266.429 3.453 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000190079466 333203017 /nfs/dbraw/zinc/20/30/17/333203017.db2.gz QORMAXAEKSNHQQ-QGZVFWFLSA-N 1 1 280.456 3.360 20 30 CGEDMO C[C@H](CCO)[N@@H+](CC#Cc1ccccc1)Cc1ccccc1 ZINC000192145012 333230804 /nfs/dbraw/zinc/23/08/04/333230804.db2.gz CQHZKZYBEKCDOX-GOSISDBHSA-N 1 1 293.410 3.311 20 30 CGEDMO C[N@@H+](CCCCc1ccccc1)C[C@H](C#N)CCC#N ZINC000193676822 333255380 /nfs/dbraw/zinc/25/53/80/333255380.db2.gz ODQXXPPXCTXGSR-KRWDZBQOSA-N 1 1 269.392 3.385 20 30 CGEDMO CC(C)CC[N@@H+](CCOCCC#N)C1CCCC1 ZINC000338937821 335139998 /nfs/dbraw/zinc/13/99/98/335139998.db2.gz ANHWEYDXOHLQIB-UHFFFAOYSA-N 1 1 252.402 3.207 20 30 CGEDMO N#CCC1CC[NH+](Cc2nnc(-c3ccccc3)s2)CC1 ZINC000545923160 334006520 /nfs/dbraw/zinc/00/65/20/334006520.db2.gz WVEKCMXSDFKTTR-UHFFFAOYSA-N 1 1 298.415 3.331 20 30 CGEDMO CC#CC[N@H+](C)Cc1ccc(OCc2ccccc2)nc1 ZINC000576237659 335175694 /nfs/dbraw/zinc/17/56/94/335175694.db2.gz GBHZJDKDINQAMM-UHFFFAOYSA-N 1 1 280.371 3.116 20 30 CGEDMO CC#CC[N@@H+](C)Cc1ccc(OCc2ccccc2)nc1 ZINC000576237659 335175696 /nfs/dbraw/zinc/17/56/96/335175696.db2.gz GBHZJDKDINQAMM-UHFFFAOYSA-N 1 1 280.371 3.116 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)NCCC1=CCCCC1 ZINC000076738024 334088421 /nfs/dbraw/zinc/08/84/21/334088421.db2.gz WCZVUHWDLJIGDZ-OAHLLOKOSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCCC[N@@H+](C)[C@H](Cc1ccccc1)C(=O)OCC ZINC000548302735 334149840 /nfs/dbraw/zinc/14/98/40/334149840.db2.gz UGXZWQVFYCEQJN-MRXNPFEDSA-N 1 1 275.392 3.059 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](Cc1ccccc1)C(=O)OCC ZINC000548302735 334149841 /nfs/dbraw/zinc/14/98/41/334149841.db2.gz UGXZWQVFYCEQJN-MRXNPFEDSA-N 1 1 275.392 3.059 20 30 CGEDMO Cc1[nH]c2ccc(C[NH2+]C[C@@H](C#N)CCC#N)cc2c1C ZINC000554552399 334437712 /nfs/dbraw/zinc/43/77/12/334437712.db2.gz WFBMQHFYUOGTPF-OAHLLOKOSA-N 1 1 280.375 3.318 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000580571502 335285497 /nfs/dbraw/zinc/28/54/97/335285497.db2.gz LZWCHFZIACGUOC-HNNXBMFYSA-N 1 1 299.374 3.479 20 30 CGEDMO CC#CC[N@@H+](C)CCOc1c(Cl)cccc1Cl ZINC000577382844 335345510 /nfs/dbraw/zinc/34/55/10/335345510.db2.gz QAQFUJRVCGRBKR-UHFFFAOYSA-N 1 1 272.175 3.327 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)[C@H](CC)c1cccc(OC)c1 ZINC000577418606 335350952 /nfs/dbraw/zinc/35/09/52/335350952.db2.gz DBSZLKANLUSYIO-NVXWUHKLSA-N 1 1 277.408 3.405 20 30 CGEDMO C=CCCCC[NH2+][C@@H](C)c1noc(COC(C)C)n1 ZINC000578834911 335678694 /nfs/dbraw/zinc/67/86/94/335678694.db2.gz IJJQYFIELIMOQX-LBPRGKRZSA-N 1 1 267.373 3.002 20 30 CGEDMO C=C(C)C[N@@H+](CC)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000194996072 336042568 /nfs/dbraw/zinc/04/25/68/336042568.db2.gz YHTNMFCDQFLOIH-ZDUSSCGKSA-N 1 1 281.421 3.049 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000194996072 336042569 /nfs/dbraw/zinc/04/25/69/336042569.db2.gz YHTNMFCDQFLOIH-ZDUSSCGKSA-N 1 1 281.421 3.049 20 30 CGEDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000384293149 336123398 /nfs/dbraw/zinc/12/33/98/336123398.db2.gz YEIPDNZHFKADLP-WFASDCNBSA-N 1 1 258.365 3.187 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC=C(c3ccccn3)C2)c(F)c1 ZINC000581704769 336131507 /nfs/dbraw/zinc/13/15/07/336131507.db2.gz JVAKTEDKHMHEGK-UHFFFAOYSA-N 1 1 293.345 3.382 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC=C(c3ccccn3)C2)c(F)c1 ZINC000581704769 336131508 /nfs/dbraw/zinc/13/15/08/336131508.db2.gz JVAKTEDKHMHEGK-UHFFFAOYSA-N 1 1 293.345 3.382 20 30 CGEDMO C[C@H]1CC[C@@]2(CC[N@@H+](CC(=O)Nc3cccc(C#N)c3)C2)C1 ZINC000359567273 533730348 /nfs/dbraw/zinc/73/03/48/533730348.db2.gz WUIZDNIWHVRENO-KBXCAEBGSA-N 1 1 297.402 3.009 20 30 CGEDMO COc1cc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)ccn1 ZINC000425537769 533795264 /nfs/dbraw/zinc/79/52/64/533795264.db2.gz RDUQYECYBLIAAR-CYBMUJFWSA-N 1 1 281.359 3.155 20 30 CGEDMO Cc1c[nH]nc1C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000356053746 533988310 /nfs/dbraw/zinc/98/83/10/533988310.db2.gz AWBHVVMASNXPFH-UHFFFAOYSA-N 1 1 268.364 3.000 20 30 CGEDMO Cc1c[nH]nc1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000356053746 533988316 /nfs/dbraw/zinc/98/83/16/533988316.db2.gz AWBHVVMASNXPFH-UHFFFAOYSA-N 1 1 268.364 3.000 20 30 CGEDMO Cc1cn[nH]c1C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000356053746 533988320 /nfs/dbraw/zinc/98/83/20/533988320.db2.gz AWBHVVMASNXPFH-UHFFFAOYSA-N 1 1 268.364 3.000 20 30 CGEDMO Cc1cn[nH]c1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000356053746 533988324 /nfs/dbraw/zinc/98/83/24/533988324.db2.gz AWBHVVMASNXPFH-UHFFFAOYSA-N 1 1 268.364 3.000 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cccc2c1OCO2 ZINC000425369296 534081174 /nfs/dbraw/zinc/08/11/74/534081174.db2.gz ZXWIREOECMUVKV-ZDUSSCGKSA-N 1 1 294.354 3.480 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)CC1CCCC1 ZINC000425534907 534081241 /nfs/dbraw/zinc/08/12/41/534081241.db2.gz MNAMYOKJYZZLMN-KBXCAEBGSA-N 1 1 286.419 3.492 20 30 CGEDMO C[C@@H]1CC[C@@]2(CC[N@@H+](CCOc3ccc(C#N)cc3)C2)C1 ZINC000359557954 534205692 /nfs/dbraw/zinc/20/56/92/534205692.db2.gz NXXQUNWJCCUQSO-CRAIPNDOSA-N 1 1 284.403 3.449 20 30 CGEDMO Cc1ccc2c(c1)C[N@H+](Cc1ccc(CC#N)cc1)CCO2 ZINC000352824813 534425534 /nfs/dbraw/zinc/42/55/34/534425534.db2.gz NGZAWBGVFOUGII-UHFFFAOYSA-N 1 1 292.382 3.456 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000075859902 526043987 /nfs/dbraw/zinc/04/39/87/526043987.db2.gz LURPHTDDLHRGHY-QAPCUYQASA-N 1 1 285.435 3.425 20 30 CGEDMO C=CC[N@H+](CCC(=C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000352029444 526271868 /nfs/dbraw/zinc/27/18/68/526271868.db2.gz RMCWTWKIMHRERD-HNNXBMFYSA-N 1 1 297.406 3.178 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1conc1CC ZINC000350699637 526313703 /nfs/dbraw/zinc/31/37/03/526313703.db2.gz KMDXCXAAZZZKNQ-UHFFFAOYSA-N 1 1 270.376 3.468 20 30 CGEDMO C=C(C)CC[N@H+](CC)Cc1ccc(OC)c(OC)c1 ZINC000352112238 526440308 /nfs/dbraw/zinc/44/03/08/526440308.db2.gz BHHQVIILFRAXHO-UHFFFAOYSA-N 1 1 263.381 3.492 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C[C@H](C)O)C(C)(C)C)cc1 ZINC000192743792 526863852 /nfs/dbraw/zinc/86/38/52/526863852.db2.gz QQNCGISYMCVFLQ-AWEZNQCLSA-N 1 1 277.408 3.233 20 30 CGEDMO C=CCOc1ccc(C[NH2+][C@H]2CCCc3c[nH]nc32)cc1 ZINC000345008401 526890747 /nfs/dbraw/zinc/89/07/47/526890747.db2.gz IGTLTQPNHZJZCB-INIZCTEOSA-N 1 1 283.375 3.142 20 30 CGEDMO C=CCCCCNC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000351681052 527156299 /nfs/dbraw/zinc/15/62/99/527156299.db2.gz WZRAQIDAKWGJMD-INIZCTEOSA-N 1 1 295.471 3.154 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000352256538 527467948 /nfs/dbraw/zinc/46/79/48/527467948.db2.gz JGOACEHCQBMFLW-DLBZAZTESA-N 1 1 286.419 3.024 20 30 CGEDMO CC1([N@@H+](CCC#N)Cc2ccc3c(c2)OCO3)CCCC1 ZINC000353672950 528016043 /nfs/dbraw/zinc/01/60/43/528016043.db2.gz DKAJAPUGOQRPTB-UHFFFAOYSA-N 1 1 286.375 3.464 20 30 CGEDMO CCOC1CC(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000367133916 528496497 /nfs/dbraw/zinc/49/64/97/528496497.db2.gz RPFNBHZXHGXTLK-UHFFFAOYSA-N 1 1 296.414 3.462 20 30 CGEDMO CC(C)[C@@]1(CO)CC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000368056977 528895759 /nfs/dbraw/zinc/89/57/59/528895759.db2.gz NBYMVNDICIIZSY-INIZCTEOSA-N 1 1 292.810 3.052 20 30 CGEDMO CC(C)[C@@]1(CO)CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000368056977 528895762 /nfs/dbraw/zinc/89/57/62/528895762.db2.gz NBYMVNDICIIZSY-INIZCTEOSA-N 1 1 292.810 3.052 20 30 CGEDMO CCC[C@@H](C)[C@H]1CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000356125801 528906111 /nfs/dbraw/zinc/90/61/11/528906111.db2.gz SNOJKJRSAGOSJM-DGCLKSJQSA-N 1 1 263.410 3.415 20 30 CGEDMO CC(=[NH+]n1cnnc1)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000749853850 571727428 /nfs/dbraw/zinc/72/74/28/571727428.db2.gz XNJAMRUSBDTBEE-SECBINFHSA-N 1 1 299.161 3.276 20 30 CGEDMO CC(=NN1CC[NH+](C)CC1)c1ccc(SC(C)C)cc1 ZINC000728429827 571805049 /nfs/dbraw/zinc/80/50/49/571805049.db2.gz KNGJESZJHURUJF-UHFFFAOYSA-N 1 1 291.464 3.159 20 30 CGEDMO C=CC[N@H+](Cc1nc(C)c2ccccc2n1)C(C)C ZINC000730932092 572383906 /nfs/dbraw/zinc/38/39/06/572383906.db2.gz AYEGFJKDZGQJIN-UHFFFAOYSA-N 1 1 255.365 3.335 20 30 CGEDMO C=CC[N@@H+](Cc1nc(C)c2ccccc2n1)C(C)C ZINC000730932092 572383912 /nfs/dbraw/zinc/38/39/12/572383912.db2.gz AYEGFJKDZGQJIN-UHFFFAOYSA-N 1 1 255.365 3.335 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc(OCC#N)cc1)Cc1ccccn1 ZINC000731211398 572401827 /nfs/dbraw/zinc/40/18/27/572401827.db2.gz JDFKLVKIZIEDDF-UHFFFAOYSA-N 1 1 295.386 3.395 20 30 CGEDMO C#CC[N@H+](CCCCC(=O)OCC)[C@H]1CCc2ccccc21 ZINC000739902773 572426808 /nfs/dbraw/zinc/42/68/08/572426808.db2.gz HSKHRDHEOPLFGE-SFHVURJKSA-N 1 1 299.414 3.343 20 30 CGEDMO C=CC1CC[NH+](Cn2c3ccccc3n(CCC)c2=O)CC1 ZINC000732181076 572450457 /nfs/dbraw/zinc/45/04/57/572450457.db2.gz JPADKKVUQSJLSD-UHFFFAOYSA-N 1 1 299.418 3.069 20 30 CGEDMO CCCCCCCC[N@@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000740878424 572465545 /nfs/dbraw/zinc/46/55/45/572465545.db2.gz DXKVNHGIDIZRCP-VBQJREDUSA-N 1 1 259.459 3.188 20 30 CGEDMO CCCCCCCC[N@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000740878424 572465551 /nfs/dbraw/zinc/46/55/51/572465551.db2.gz DXKVNHGIDIZRCP-VBQJREDUSA-N 1 1 259.459 3.188 20 30 CGEDMO C=C(Br)C[N@@H+](C)[C@H]1C[C@@H](OCC)C1(C)C ZINC000741054852 572480104 /nfs/dbraw/zinc/48/01/04/572480104.db2.gz YQULYZHCJSCPTL-WDEREUQCSA-N 1 1 276.218 3.030 20 30 CGEDMO C=C(Br)C[N@H+](C)[C@H]1C[C@@H](OCC)C1(C)C ZINC000741054852 572480107 /nfs/dbraw/zinc/48/01/07/572480107.db2.gz YQULYZHCJSCPTL-WDEREUQCSA-N 1 1 276.218 3.030 20 30 CGEDMO C[C@H]1CC(N=Nc2cccc3ncccc23)CC[N@H+]1C ZINC000741459778 572499537 /nfs/dbraw/zinc/49/95/37/572499537.db2.gz HOUYSUKORKLVJF-LBPRGKRZSA-N 1 1 268.364 3.117 20 30 CGEDMO COc1ccc(C[NH2+]Cc2cc(C#N)ccc2F)cc1F ZINC000742381869 572572932 /nfs/dbraw/zinc/57/29/32/572572932.db2.gz PITOUZZPAXPSSN-UHFFFAOYSA-N 1 1 288.297 3.135 20 30 CGEDMO C=CC[C@H]([NH2+]Cc1ccc2nc[nH]c2c1)c1ccncc1 ZINC000734508681 572661626 /nfs/dbraw/zinc/66/16/26/572661626.db2.gz BSERHVMXYGAIFT-HNNXBMFYSA-N 1 1 278.359 3.365 20 30 CGEDMO C#CC[N@H+](C[C@H](O)c1ccc(F)cc1F)C1CCCCC1 ZINC000744213939 572724269 /nfs/dbraw/zinc/72/42/69/572724269.db2.gz XEZBELLIYRVOCR-KRWDZBQOSA-N 1 1 293.357 3.266 20 30 CGEDMO C#CC[N@H+](CCOC)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000746156832 572857720 /nfs/dbraw/zinc/85/77/20/572857720.db2.gz PEOJTZOFKDHGJS-GFCCVEGCSA-N 1 1 285.309 3.348 20 30 CGEDMO C#CCOc1ccccc1C[N@H+](C)Cc1ccc(C)cn1 ZINC000746514112 572876396 /nfs/dbraw/zinc/87/63/96/572876396.db2.gz TUKBMZODYMIWFW-UHFFFAOYSA-N 1 1 280.371 3.034 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+](C)Cc1ccc(C)cn1 ZINC000746514112 572876398 /nfs/dbraw/zinc/87/63/98/572876398.db2.gz TUKBMZODYMIWFW-UHFFFAOYSA-N 1 1 280.371 3.034 20 30 CGEDMO C#CC[N@H+](C[C@@H](O)c1ccc(F)cc1C)C1CCCCC1 ZINC000746662569 572889275 /nfs/dbraw/zinc/88/92/75/572889275.db2.gz FFQZVUYDECVYKJ-GOSISDBHSA-N 1 1 289.394 3.435 20 30 CGEDMO FC(F)(F)c1ccc(C#CC[NH2+]Cc2ccoc2)cc1 ZINC000748098740 572960284 /nfs/dbraw/zinc/96/02/84/572960284.db2.gz LUBINNPMVXBTGM-UHFFFAOYSA-N 1 1 279.261 3.440 20 30 CGEDMO C=C(C)C[N@H+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000749808126 573039901 /nfs/dbraw/zinc/03/99/01/573039901.db2.gz CSFZBRJEDWMGOA-CQSZACIVSA-N 1 1 284.444 3.434 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[N@H+](CCC(C)C)CC1 ZINC000981744642 613240139 /nfs/dbraw/zinc/24/01/39/613240139.db2.gz GAXRRFWCWFHXKP-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC12CC2 ZINC000969049609 613251577 /nfs/dbraw/zinc/25/15/77/613251577.db2.gz LTQYMYXQDOAUGF-HZPDHXFCSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)C[C@@H]2CCC[C@H]2C)CC1 ZINC000981226224 613251890 /nfs/dbraw/zinc/25/18/90/613251890.db2.gz AVFGKWACIGOJEW-SJORKVTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]2CC)CC1 ZINC000981896304 613253571 /nfs/dbraw/zinc/25/35/71/613253571.db2.gz KQZMULDTHWNXQS-DLBZAZTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)c2c(C)coc2C)CC1 ZINC000981089423 613255143 /nfs/dbraw/zinc/25/51/43/613255143.db2.gz SGQNWJBSQOCATA-UHFFFAOYSA-N 1 1 290.407 3.011 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)c2oc(C)cc2C)CC1 ZINC000980925922 613255828 /nfs/dbraw/zinc/25/58/28/613255828.db2.gz BRNNPQNHCDCAOI-UHFFFAOYSA-N 1 1 290.407 3.011 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)C)C1 ZINC000963258499 613256537 /nfs/dbraw/zinc/25/65/37/613256537.db2.gz HIHPDSMYJRZCEH-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccsc2)C1 ZINC000964933856 613264006 /nfs/dbraw/zinc/26/40/06/613264006.db2.gz IZYXOGJWLJGNTC-HIFRSBDPSA-N 1 1 292.448 3.155 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2CC(C)(C)C2)C[C@@H]1C ZINC000947278440 613265882 /nfs/dbraw/zinc/26/58/82/613265882.db2.gz ZCQDEGHGFPKJBN-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C(C)C)cc2)C[C@H]1C ZINC000947968384 613267740 /nfs/dbraw/zinc/26/77/40/613267740.db2.gz YQFDVLSNEJEHGI-QAPCUYQASA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC000968274429 613268645 /nfs/dbraw/zinc/26/86/45/613268645.db2.gz LSMHQNNTUFAJAI-HOTGVXAUSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2CCCC2)C[C@H]1C ZINC000946972035 613271081 /nfs/dbraw/zinc/27/10/81/613271081.db2.gz VJTIVDNTENDHFF-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C=C2CCC2)C[C@@H]1C ZINC000947191614 613271286 /nfs/dbraw/zinc/27/12/86/613271286.db2.gz VILOVVUQMORTBF-HOCLYGCPSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cccs2)[C@H](C)C1 ZINC000941773640 613272502 /nfs/dbraw/zinc/27/25/02/613272502.db2.gz WUXUXSUADIZYIF-KGLIPLIRSA-N 1 1 292.448 3.155 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@H]2CC=CCC2)C(C)(C)C1 ZINC000972801924 613277020 /nfs/dbraw/zinc/27/70/20/613277020.db2.gz HOENNTVOXRPDJL-HOTGVXAUSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)c2ccsc2)C(C)(C)C1 ZINC000972794838 613277288 /nfs/dbraw/zinc/27/72/88/613277288.db2.gz UWUJOTUQWVHLIG-AWEZNQCLSA-N 1 1 292.448 3.155 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@@H]2CC=CCC2)C(C)(C)C1 ZINC000972801923 613277292 /nfs/dbraw/zinc/27/72/92/613277292.db2.gz HOENNTVOXRPDJL-CVEARBPZSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2cc(Cl)cs2)C1 ZINC000972476741 613285863 /nfs/dbraw/zinc/28/58/63/613285863.db2.gz SHLCWCYCTHNHJH-GFCCVEGCSA-N 1 1 298.839 3.124 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000972773767 613286504 /nfs/dbraw/zinc/28/65/04/613286504.db2.gz KTENGCQLGCBLNH-OAHLLOKOSA-N 1 1 292.810 3.062 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)C2(C3CC3)CC2)CC1 ZINC000948466922 613314646 /nfs/dbraw/zinc/31/46/46/613314646.db2.gz IRZNMOSCGORPGC-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)C2CCCC2)CC1 ZINC000948135520 613314686 /nfs/dbraw/zinc/31/46/86/613314686.db2.gz FMMBCBNZRJXFAT-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCC2(C)C)CC1 ZINC000948684202 613314936 /nfs/dbraw/zinc/31/49/36/613314936.db2.gz JCEVWDDZUGGTJM-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)c2cccs2)CC1 ZINC000948159021 613315152 /nfs/dbraw/zinc/31/51/52/613315152.db2.gz HAXIAOVHXVXCRG-AWEZNQCLSA-N 1 1 292.448 3.251 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C(C)=C2CCCC2)[C@H](C)C1 ZINC000941944167 613326953 /nfs/dbraw/zinc/32/69/53/613326953.db2.gz SGTQFUATZCHSIG-RHSMWYFYSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C=C2CCCCC2)C[C@H]1C ZINC000947109263 613327088 /nfs/dbraw/zinc/32/70/88/613327088.db2.gz RTNRUAGISFEYRO-NVXWUHKLSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)cc2)C[C@H]1C ZINC000947972008 613329554 /nfs/dbraw/zinc/32/95/54/613329554.db2.gz XEHPFUZXENJHCI-NVXWUHKLSA-N 1 1 286.419 3.154 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C2(C)CCCCC2)C1 ZINC000968188890 613332052 /nfs/dbraw/zinc/33/20/52/613332052.db2.gz DVOPCJXDNRFXNC-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc(C)cs2)C1 ZINC000966001253 613332361 /nfs/dbraw/zinc/33/23/61/613332361.db2.gz YJOCUBIFDXZXEN-KBPBESRZSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)C(F)=C2CCCC2)C1 ZINC000965894097 613333566 /nfs/dbraw/zinc/33/35/66/613333566.db2.gz BSODMFAMZYYMPC-DZGCQCFKSA-N 1 1 294.414 3.187 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)=C2CCC2)C[C@@H]1C ZINC000947301820 613334404 /nfs/dbraw/zinc/33/44/04/613334404.db2.gz ZMUGPKKYRJEJDW-BBRMVZONSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)=C2CCCC2)C[C@H]1C ZINC000947196596 613334557 /nfs/dbraw/zinc/33/45/57/613334557.db2.gz XKSMSJOSSDCJOV-PBHICJAKSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2=CCCCCC2)C[C@H]1C ZINC000947239646 613334667 /nfs/dbraw/zinc/33/46/67/613334667.db2.gz GLZQVXMRSKWAHF-WBVHZDCISA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccsc2C)[C@H](C)C1 ZINC000942030888 613336641 /nfs/dbraw/zinc/33/66/41/613336641.db2.gz DJUNMJFCQLKYPX-DOMZBBRYSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2sccc2F)C[C@H]1C ZINC000947252530 613337304 /nfs/dbraw/zinc/33/73/04/613337304.db2.gz DCWRUULVUOPAQN-NEPJUHHUSA-N 1 1 296.411 3.046 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)C2CCC=CCC2)C(C)(C)C1 ZINC000977629877 613341255 /nfs/dbraw/zinc/34/12/55/613341255.db2.gz YTKNIQQCMXFKHV-INIZCTEOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)c2cc(C)cs2)C(C)(C)C1 ZINC000974570829 613342112 /nfs/dbraw/zinc/34/21/12/613342112.db2.gz UENIRYIORSFHHZ-AWEZNQCLSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)CCC2CC2)C1 ZINC000971603805 613367656 /nfs/dbraw/zinc/36/76/56/613367656.db2.gz WMJUOXJUFPYMKE-CQSZACIVSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)C(C)=C2CCCC2)C1 ZINC000971319154 613369572 /nfs/dbraw/zinc/36/95/72/613369572.db2.gz OIZHGAOWNXGVQZ-HNNXBMFYSA-N 1 1 296.842 3.162 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)C(C)=C2CCCC2)C1 ZINC000971319154 613369573 /nfs/dbraw/zinc/36/95/73/613369573.db2.gz OIZHGAOWNXGVQZ-HNNXBMFYSA-N 1 1 296.842 3.162 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(C)CCC2)C(C)(C)C1 ZINC000940950209 613378228 /nfs/dbraw/zinc/37/82/28/613378228.db2.gz GPSUDPLOOQGELL-ZDUSSCGKSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(C)CCC2)C(C)(C)C1 ZINC000940950209 613378229 /nfs/dbraw/zinc/37/82/29/613378229.db2.gz GPSUDPLOOQGELL-ZDUSSCGKSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)C)C[C@@H]2C1 ZINC000980226201 613381526 /nfs/dbraw/zinc/38/15/26/613381526.db2.gz PGYKGSQQSVGJRM-MJBXVCDLSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@H]2C[N@@H+](C)CC2CCC2)C1 ZINC000960845598 613393471 /nfs/dbraw/zinc/39/34/71/613393471.db2.gz GJZFLFDVBPEDQZ-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[N@@H+](C/C=C\Cl)CC2)CC1 ZINC000981873614 613404060 /nfs/dbraw/zinc/40/40/60/613404060.db2.gz POWUEGXKODVTGD-WAPJZHGLSA-N 1 1 296.842 3.020 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[N@H+](C/C=C\Cl)CC2)CC1 ZINC000981873614 613404064 /nfs/dbraw/zinc/40/40/64/613404064.db2.gz POWUEGXKODVTGD-WAPJZHGLSA-N 1 1 296.842 3.020 20 30 CGEDMO C=C1CCC(C(=O)N2CC3(C2)CCC[N@H+](CCC)C3)CC1 ZINC000981983630 613404103 /nfs/dbraw/zinc/40/41/03/613404103.db2.gz NKWZOQFFMRGZOO-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@H]([C@@H]2CC[N@H+](CCC)C2)C1 ZINC000961229436 613432793 /nfs/dbraw/zinc/43/27/93/613432793.db2.gz MIUJXCPJXYRTET-JKSUJKDBSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC[C@H]2CC)C1 ZINC000957072108 613477523 /nfs/dbraw/zinc/47/75/23/613477523.db2.gz ZMMWSRJKYCAXEQ-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[C@H]2CCC)C1 ZINC000950677961 613477568 /nfs/dbraw/zinc/47/75/68/613477568.db2.gz MQMAQFBMNWLUFM-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)c2csc(C)c2C)C1 ZINC000950416496 613481042 /nfs/dbraw/zinc/48/10/42/613481042.db2.gz RYNZNJCEGNOFBN-UHFFFAOYSA-N 1 1 292.448 3.087 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)CC2CCC2)CC1 ZINC000948269138 613499741 /nfs/dbraw/zinc/49/97/41/613499741.db2.gz JUBVOCPRDAOIFO-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)c2occc2C)CC1 ZINC000948192747 613501460 /nfs/dbraw/zinc/50/14/60/613501460.db2.gz YLBSRBXZNXVPPE-HNNXBMFYSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC000968565099 613515346 /nfs/dbraw/zinc/51/53/46/613515346.db2.gz DMALZXOKWSUGTJ-VQHPVUNQSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C=C2CCCCC2)C1 ZINC000965446774 613515390 /nfs/dbraw/zinc/51/53/90/613515390.db2.gz FZZRJOZIDAGKFR-WBVHZDCISA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccoc2Cl)C[C@H]1C ZINC000947248187 613526030 /nfs/dbraw/zinc/52/60/30/613526030.db2.gz GECXLTJYFJKQEZ-VXGBXAGGSA-N 1 1 296.798 3.092 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccc(C)c2)C1 ZINC000964871890 613530202 /nfs/dbraw/zinc/53/02/02/613530202.db2.gz HMUBMCNHNGOFCS-RDJZCZTQSA-N 1 1 286.419 3.011 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(C)s2)C1 ZINC000964709093 613531811 /nfs/dbraw/zinc/53/18/11/613531811.db2.gz HCXKBBNNZFLXDA-GXTWGEPZSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)CC2=CCCCC2)[C@@H](C)C1 ZINC000941900254 613534815 /nfs/dbraw/zinc/53/48/15/613534815.db2.gz QYUDQAKXAOEASY-RDJZCZTQSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC2(C)C)C(C)(C)C1 ZINC000940965109 613536981 /nfs/dbraw/zinc/53/69/81/613536981.db2.gz JWLATVIGIQJYNM-CABCVRRESA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)c2ccc(C)cc2)[C@@H](C)C1 ZINC000944264778 613538218 /nfs/dbraw/zinc/53/82/18/613538218.db2.gz QKJNIHPHRPRZQS-RDJZCZTQSA-N 1 1 286.419 3.011 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C)cc2)C[C@H]1C ZINC000947971526 613538500 /nfs/dbraw/zinc/53/85/00/613538500.db2.gz OHXXTAVQIKBUNW-WBVHZDCISA-N 1 1 286.419 3.154 20 30 CGEDMO C=CCC[N@H+]1C[C@H](NC(=O)C2CCC(=C)CC2)C(C)(C)C1 ZINC000975012928 613553105 /nfs/dbraw/zinc/55/31/05/613553105.db2.gz QDUMRAKQJWVKDP-INIZCTEOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)C[C@H]2CC=CCC2)CC1 ZINC000948681507 613704077 /nfs/dbraw/zinc/70/40/77/613704077.db2.gz ZFZAGPLSPJGBKF-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)CC2CCCCCC2)[C@@H](C)C1 ZINC000943206560 613742694 /nfs/dbraw/zinc/74/26/94/613742694.db2.gz BTKWSUWXQZLYMU-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C[C@H]1C ZINC000947953416 613745809 /nfs/dbraw/zinc/74/58/09/613745809.db2.gz NWHNQRWDELQBRR-QBPKDAKJSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)[C@@]2(C)CC=CCC2)C(C)(C)C1 ZINC000940763075 613746429 /nfs/dbraw/zinc/74/64/29/613746429.db2.gz CDHOZMDZHAGEJK-QAPCUYQASA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)sc2C)C[C@H]1C ZINC000947515638 613750066 /nfs/dbraw/zinc/75/00/66/613750066.db2.gz MPFZEWLORVVBEU-BXUZGUMPSA-N 1 1 292.448 3.134 20 30 CGEDMO C=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(Cl)s2)C1 ZINC000968614836 613773980 /nfs/dbraw/zinc/77/39/80/613773980.db2.gz OIGVCZMZZGNNBU-WDEREUQCSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(Cl)s2)C1 ZINC000968614836 613773981 /nfs/dbraw/zinc/77/39/81/613773981.db2.gz OIGVCZMZZGNNBU-WDEREUQCSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)c2cc(Cl)cs2)[C@@H](C)C1 ZINC000943290673 613788344 /nfs/dbraw/zinc/78/83/44/613788344.db2.gz YRLQOIVSPDTXKI-JQWIXIFHSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)c2csc(Cl)c2)[C@@H](C)C1 ZINC000943332836 613799178 /nfs/dbraw/zinc/79/91/78/613799178.db2.gz FNHVIDXJWKNTJD-JQWIXIFHSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCC2CC2)C1 ZINC001021546098 618033250 /nfs/dbraw/zinc/03/32/50/618033250.db2.gz BSOJOLZKGAJJSF-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1cscc1C(F)(F)F)[C@H]1CCCO1 ZINC000811491127 617626961 /nfs/dbraw/zinc/62/69/61/617626961.db2.gz AAVDFVPLSYZWHD-VXGBXAGGSA-N 1 1 289.322 3.037 20 30 CGEDMO C=CC[C@@H]1CCN1C(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000890549585 617634918 /nfs/dbraw/zinc/63/49/18/617634918.db2.gz BHRAPZVWIHXBBK-QZTJIDSGSA-N 1 1 298.430 3.286 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(Cc2ccccc2)no1 ZINC000899994636 620742950 /nfs/dbraw/zinc/74/29/50/620742950.db2.gz JYORSORGDPULJD-ZDUSSCGKSA-N 1 1 257.337 3.017 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2cccc(OC)c2)no1 ZINC000900003593 620743177 /nfs/dbraw/zinc/74/31/77/620743177.db2.gz MRUSLGZMGGDQOS-CYBMUJFWSA-N 1 1 273.336 3.101 20 30 CGEDMO CCCCCCCC[C@H]([NH3+])c1nc(-c2cnn(C)c2)no1 ZINC000899997741 620743662 /nfs/dbraw/zinc/74/36/62/620743662.db2.gz FRAANQHWSBBHRD-ZDUSSCGKSA-N 1 1 291.399 3.221 20 30 CGEDMO C[C@H]1CC(=NOC2CCC2)C[N@H+]1Cc1ccccc1 ZINC000812235813 617741940 /nfs/dbraw/zinc/74/19/40/617741940.db2.gz QMEQDPZRTIQSNM-ZDUSSCGKSA-N 1 1 258.365 3.206 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000306054633 617782776 /nfs/dbraw/zinc/78/27/76/617782776.db2.gz UKFGUWYWXZXWIJ-RYUDHWBXSA-N 1 1 266.772 3.261 20 30 CGEDMO COc1ccc([C@H](C)[NH2+]Cc2ccncc2C#N)cc1C ZINC000932568828 617838782 /nfs/dbraw/zinc/83/87/82/617838782.db2.gz IZMNTPNGJBRZCD-ZDUSSCGKSA-N 1 1 281.359 3.121 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CCCC2)C1 ZINC001021492226 618012143 /nfs/dbraw/zinc/01/21/43/618012143.db2.gz HPZWGWUVDYDOJF-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(CC)CC)C1 ZINC001021522768 618021806 /nfs/dbraw/zinc/02/18/06/618021806.db2.gz JBIMLPHBOMWFLK-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](Cc2nc(C)cs2)C1 ZINC000933123842 618157182 /nfs/dbraw/zinc/15/71/82/618157182.db2.gz ARTLUEBOARPMJJ-NSHDSACASA-N 1 1 256.802 3.068 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](Cc2nc(C)cs2)C1 ZINC000933123842 618157183 /nfs/dbraw/zinc/15/71/83/618157183.db2.gz ARTLUEBOARPMJJ-NSHDSACASA-N 1 1 256.802 3.068 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](Cc2nc(C)cs2)C1 ZINC000933125860 618158704 /nfs/dbraw/zinc/15/87/04/618158704.db2.gz KEVOONRWAWQLNH-ZDUSSCGKSA-N 1 1 250.411 3.282 20 30 CGEDMO Cc1csc(C[C@H]2CC[N@@H+](CC3(CC#N)CC3)C2)n1 ZINC000933128469 618159427 /nfs/dbraw/zinc/15/94/27/618159427.db2.gz UUHIUSISGOUUKF-CYBMUJFWSA-N 1 1 275.421 3.010 20 30 CGEDMO C#CCC1([NH2+]Cc2nc(C3CCC3)no2)CCCCC1 ZINC000933266062 618178699 /nfs/dbraw/zinc/17/86/99/618178699.db2.gz PDXPKCWFTIEBBX-UHFFFAOYSA-N 1 1 273.380 3.153 20 30 CGEDMO C#CCC1([NH2+]Cc2nc(-c3ccccc3C)no2)CCC1 ZINC000933302771 618197265 /nfs/dbraw/zinc/19/72/65/618197265.db2.gz RHNASDJFTUOFOO-UHFFFAOYSA-N 1 1 281.359 3.081 20 30 CGEDMO C#CCC1([NH2+][C@H](C)c2nc(CCCC)no2)CCC1 ZINC000933304048 618197761 /nfs/dbraw/zinc/19/77/61/618197761.db2.gz YDWPFVUWCBANJB-GFCCVEGCSA-N 1 1 261.369 3.009 20 30 CGEDMO COCC[N@H+](Cc1csc(C#N)c1)Cc1ccccc1 ZINC000891472768 618229100 /nfs/dbraw/zinc/22/91/00/618229100.db2.gz YNXBOZXAUAWHQT-UHFFFAOYSA-N 1 1 286.400 3.268 20 30 CGEDMO COCC[N@@H+](Cc1csc(C#N)c1)Cc1ccccc1 ZINC000891472768 618229101 /nfs/dbraw/zinc/22/91/01/618229101.db2.gz YNXBOZXAUAWHQT-UHFFFAOYSA-N 1 1 286.400 3.268 20 30 CGEDMO C=CC[N@H+](Cc1c(Cl)n[nH]c1C1CC1)C(C)C ZINC000891673621 618245589 /nfs/dbraw/zinc/24/55/89/618245589.db2.gz APTMDZGRBXVAKT-UHFFFAOYSA-N 1 1 253.777 3.337 20 30 CGEDMO C=CC[N@@H+](Cc1c(Cl)n[nH]c1C1CC1)C(C)C ZINC000891673621 618245591 /nfs/dbraw/zinc/24/55/91/618245591.db2.gz APTMDZGRBXVAKT-UHFFFAOYSA-N 1 1 253.777 3.337 20 30 CGEDMO C=CC[N@@H+](C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)C(C)C ZINC000891675560 618245669 /nfs/dbraw/zinc/24/56/69/618245669.db2.gz WOARVKLIMJGQGX-OKILXGFUSA-N 1 1 282.428 3.186 20 30 CGEDMO CO[C@H](C[N@@H+](C)Cc1cc(C#N)cs1)C1CCCC1 ZINC000933770752 618322241 /nfs/dbraw/zinc/32/22/41/618322241.db2.gz MNPRNFAFAUQRSL-OAHLLOKOSA-N 1 1 278.421 3.257 20 30 CGEDMO C[N@@H+](CCCc1cccnc1)Cc1cc(C#N)cs1 ZINC000933770076 618322740 /nfs/dbraw/zinc/32/27/40/618322740.db2.gz GMNQBTFUTCKTJB-UHFFFAOYSA-N 1 1 271.389 3.079 20 30 CGEDMO C(=NNc1cc[nH+]cc1)c1cnc(-c2cccs2)s1 ZINC000779811715 618389613 /nfs/dbraw/zinc/38/96/13/618389613.db2.gz RNGNKULMMYVXPQ-UHFFFAOYSA-N 1 1 286.385 3.135 20 30 CGEDMO CC(C)CC(N)=[NH+]OCc1cccc2cccnc21 ZINC000065204334 618450870 /nfs/dbraw/zinc/45/08/70/618450870.db2.gz AALIWRHNVPOUJF-UHFFFAOYSA-N 1 1 257.337 3.070 20 30 CGEDMO CC([NH2+]Nc1cc([N+](=O)[O-])ccc1C)=C1CC1(F)F ZINC000841622639 618582479 /nfs/dbraw/zinc/58/24/79/618582479.db2.gz ZNWQSAKVUCUCOU-SNVBAGLBSA-N 1 1 269.251 3.346 20 30 CGEDMO C[C@H]1CSCCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000934305572 618587647 /nfs/dbraw/zinc/58/76/47/618587647.db2.gz RNNCIOJUEOLALJ-NSHDSACASA-N 1 1 264.369 3.025 20 30 CGEDMO N#CC1CCC(C[N@H+]2CC[C@@H](Cc3nccs3)C2)CC1 ZINC000934329454 618594133 /nfs/dbraw/zinc/59/41/33/618594133.db2.gz QZODRZVTVRKUQY-NRXISQOPSA-N 1 1 289.448 3.337 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000934460645 618622851 /nfs/dbraw/zinc/62/28/51/618622851.db2.gz IMSXQZLAUXZNNB-ROUUACIJSA-N 1 1 282.387 3.077 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1C[C@@H](O)c1cc2ccccc2o1 ZINC000934460568 618623335 /nfs/dbraw/zinc/62/33/35/618623335.db2.gz QOLSFEBTPKJPJN-UONOGXRCSA-N 1 1 257.333 3.117 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1C[C@H](O)c1ccc(Br)cc1 ZINC000934462961 618624607 /nfs/dbraw/zinc/62/46/07/618624607.db2.gz SIQGZKFMHVRWTL-KGLIPLIRSA-N 1 1 296.208 3.133 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1ccc(OCc2nccn2C)cc1 ZINC000934464728 618625368 /nfs/dbraw/zinc/62/53/68/618625368.db2.gz AXWHTNSRZSTMCC-MRXNPFEDSA-N 1 1 297.402 3.150 20 30 CGEDMO C#C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccccn2)nc1 ZINC000934516209 618637908 /nfs/dbraw/zinc/63/79/08/618637908.db2.gz YDJRSHDFMYHEER-MRXNPFEDSA-N 1 1 277.371 3.131 20 30 CGEDMO C=CCCC[N@@H+](CC)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000934644793 618664529 /nfs/dbraw/zinc/66/45/29/618664529.db2.gz IJLAVNNFZFIZIZ-UHFFFAOYSA-N 1 1 273.336 3.255 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000934644793 618664533 /nfs/dbraw/zinc/66/45/33/618664533.db2.gz IJLAVNNFZFIZIZ-UHFFFAOYSA-N 1 1 273.336 3.255 20 30 CGEDMO CCCC[N@H+](C)C[C@H](C)[NH2+][C@H](C)CC(C)(C)C#N ZINC000926437986 618676727 /nfs/dbraw/zinc/67/67/27/618676727.db2.gz FQUJWCUQCWVQBH-KGLIPLIRSA-N 1 1 253.434 3.025 20 30 CGEDMO CCCC[N@H+](C)C[C@H](C)N[C@H](C)CC(C)(C)C#N ZINC000926437986 618676735 /nfs/dbraw/zinc/67/67/35/618676735.db2.gz FQUJWCUQCWVQBH-KGLIPLIRSA-N 1 1 253.434 3.025 20 30 CGEDMO CCCC[N@@H+](C)C[C@H](C)N[C@H](C)CC(C)(C)C#N ZINC000926437986 618676739 /nfs/dbraw/zinc/67/67/39/618676739.db2.gz FQUJWCUQCWVQBH-KGLIPLIRSA-N 1 1 253.434 3.025 20 30 CGEDMO CO[C@@H](C)c1nc(CO[NH+]=C(N)CCC(C)C)cs1 ZINC000177569458 618830092 /nfs/dbraw/zinc/83/00/92/618830092.db2.gz ZQHFHNDLCAGUCJ-JTQLQIEISA-N 1 1 285.413 3.076 20 30 CGEDMO C[C@@H]1CC2(C[N@H+]1CC1CCC(C#N)CC1)CCOCC2 ZINC000930823639 619080377 /nfs/dbraw/zinc/08/03/77/619080377.db2.gz QTDBXOVQUQYRFC-QQFBHYJXSA-N 1 1 276.424 3.207 20 30 CGEDMO COC(=O)C[N@@H+](CC1CCC(C#N)CC1)C1CCCCC1 ZINC000930964529 619096368 /nfs/dbraw/zinc/09/63/68/619096368.db2.gz PHCXAZYAGCTENA-UHFFFAOYSA-N 1 1 292.423 3.124 20 30 CGEDMO CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000931474592 619180342 /nfs/dbraw/zinc/18/03/42/619180342.db2.gz NVIRVDALRFWKOU-IAQYHMDHSA-N 1 1 278.783 3.211 20 30 CGEDMO CC[N@@H+](Cc1cccc2c1NCCC2)C[C@@H](C)C#N ZINC000893995561 619345577 /nfs/dbraw/zinc/34/55/77/619345577.db2.gz QVUHALNLKZJDDD-ZDUSSCGKSA-N 1 1 257.381 3.026 20 30 CGEDMO CC[N@H+](Cc1cccc2c1NCCC2)C[C@@H](C)C#N ZINC000893995561 619345580 /nfs/dbraw/zinc/34/55/80/619345580.db2.gz QVUHALNLKZJDDD-ZDUSSCGKSA-N 1 1 257.381 3.026 20 30 CGEDMO CCCC[N@@H+](CC)CCCOc1ccc(C#N)cc1 ZINC000034674066 619373109 /nfs/dbraw/zinc/37/31/09/619373109.db2.gz HYQULKPQFRSMMG-UHFFFAOYSA-N 1 1 260.381 3.449 20 30 CGEDMO C#C[C@@H](CC)[NH2+]Cc1nc(-c2cccc(OC)c2)cs1 ZINC000894386795 619513941 /nfs/dbraw/zinc/51/39/41/619513941.db2.gz FDODAOWUDMUNNW-ZDUSSCGKSA-N 1 1 286.400 3.320 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000310851435 619679417 /nfs/dbraw/zinc/67/94/17/619679417.db2.gz RAOQBOYDAPZPDO-UONOGXRCSA-N 1 1 252.402 3.063 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)cs1 ZINC000895082356 619720128 /nfs/dbraw/zinc/72/01/28/619720128.db2.gz OJKKABPEFPWRLK-DZGCQCFKSA-N 1 1 276.405 3.011 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1cc(Cl)c(OC)c(OC)c1 ZINC000054183624 619721269 /nfs/dbraw/zinc/72/12/69/619721269.db2.gz LQVHNNDPODGBTI-LLVKDONJSA-N 1 1 282.771 3.139 20 30 CGEDMO C#CC[N@@H+](Cc1cnn(C=C)c1)[C@@H]1CCc2ccccc21 ZINC000193580578 619728262 /nfs/dbraw/zinc/72/82/62/619728262.db2.gz DTNRYSQDRPELMU-GOSISDBHSA-N 1 1 277.371 3.106 20 30 CGEDMO C#CC[N@H+](Cc1cnn(C=C)c1)[C@@H]1CCc2ccccc21 ZINC000193580578 619728264 /nfs/dbraw/zinc/72/82/64/619728264.db2.gz DTNRYSQDRPELMU-GOSISDBHSA-N 1 1 277.371 3.106 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)cs1 ZINC000895181478 619772176 /nfs/dbraw/zinc/77/21/76/619772176.db2.gz XFKRNPPPHZYXMF-LBPRGKRZSA-N 1 1 268.332 3.241 20 30 CGEDMO C#C[C@@H](C)[NH2+]Cc1ccc(Cl)cc1Br ZINC000166356290 619789091 /nfs/dbraw/zinc/78/90/91/619789091.db2.gz UNEDNHXHXKYECV-MRVPVSSYSA-N 1 1 272.573 3.214 20 30 CGEDMO O[C@@H]1CC[N@@H+](CC#Cc2ccccc2)[C@H](c2ccccc2)C1 ZINC000895705287 619873355 /nfs/dbraw/zinc/87/33/55/619873355.db2.gz XYFGZMWZIPAEQG-UXHICEINSA-N 1 1 291.394 3.236 20 30 CGEDMO C=CCCCN(CC)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000896009375 619929174 /nfs/dbraw/zinc/92/91/74/619929174.db2.gz AVMWKJBMYINYOQ-MRXNPFEDSA-N 1 1 293.455 3.001 20 30 CGEDMO C#CC[N@H+](Cc1c(C(C)C)nc2sc(C)nn12)C(C)C ZINC000897170553 620155159 /nfs/dbraw/zinc/15/51/59/620155159.db2.gz BAZJJLMICZIJAV-UHFFFAOYSA-N 1 1 290.436 3.066 20 30 CGEDMO C#CC[N@@H+](Cc1c(C(C)C)nc2sc(C)nn12)C(C)C ZINC000897170553 620155163 /nfs/dbraw/zinc/15/51/63/620155163.db2.gz BAZJJLMICZIJAV-UHFFFAOYSA-N 1 1 290.436 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCCC[C@H]2C)CC1 ZINC000985614748 620221940 /nfs/dbraw/zinc/22/19/40/620221940.db2.gz SUJCTCQVWQYTDN-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C1CCC(C(=O)N2CCC([N@@H+](C)CC3CC3)CC2)CC1 ZINC000985615107 620222473 /nfs/dbraw/zinc/22/24/73/620222473.db2.gz UOYKKERNTCNQGW-UHFFFAOYSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@]2(C)CCC[C@@H]2C)CC1 ZINC000985632414 620223552 /nfs/dbraw/zinc/22/35/52/620223552.db2.gz NHWPUPCGUZPLQK-MAUKXSAKSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)C2(F)CCCCC2)CC1 ZINC000985738531 620234349 /nfs/dbraw/zinc/23/43/49/620234349.db2.gz WPFMUEPIIBFZIK-UHFFFAOYSA-N 1 1 296.430 3.158 20 30 CGEDMO CC[C@H]1C[C@@H](C[N@@H+](C)Cc2cc(C#N)cs2)CCO1 ZINC000897626152 620412264 /nfs/dbraw/zinc/41/22/64/620412264.db2.gz UIVYVANAPNCJQD-JSGCOSHPSA-N 1 1 278.421 3.257 20 30 CGEDMO CSC1(C[N@@H+](C)Cc2cc(C#N)cs2)CCC1 ZINC000897624637 620412355 /nfs/dbraw/zinc/41/23/55/620412355.db2.gz SPACHRRBYVGWFY-UHFFFAOYSA-N 1 1 266.435 3.337 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CC[C@@H](Cc3nccs3)C2)cc1 ZINC000898071809 620477056 /nfs/dbraw/zinc/47/70/56/620477056.db2.gz UCFXDHGOTPXATO-INIZCTEOSA-N 1 1 282.412 3.189 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1ccc(OC)c(OC)c1O ZINC000898244872 620496466 /nfs/dbraw/zinc/49/64/66/620496466.db2.gz SPJURWZBWCYNBE-UHFFFAOYSA-N 1 1 279.380 3.198 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)c2ccoc2C(C)C)CC1 ZINC000989767666 620523352 /nfs/dbraw/zinc/52/33/52/620523352.db2.gz AYSIWUHXEOWVSC-UHFFFAOYSA-N 1 1 290.407 3.127 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)O[C@H](C)c1cccc(C#N)c1 ZINC000923889741 620564631 /nfs/dbraw/zinc/56/46/31/620564631.db2.gz VTYSEAVFCFTKTB-CJNGLKHVSA-N 1 1 286.375 3.035 20 30 CGEDMO C=CCCC[N@H+](CC)Cn1nccc1-c1ccncc1 ZINC000902669044 621396425 /nfs/dbraw/zinc/39/64/25/621396425.db2.gz IBSLRLJLXCWUSG-UHFFFAOYSA-N 1 1 270.380 3.191 20 30 CGEDMO CC(C)[C@H]1c2ccccc2CC[N@@H+]1CCO[C@@H](C)C#N ZINC000801928428 621397539 /nfs/dbraw/zinc/39/75/39/621397539.db2.gz BEVAUHCBSKWENH-YOEHRIQHSA-N 1 1 272.392 3.170 20 30 CGEDMO CC[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cccc(C#N)c1 ZINC000902742163 621422010 /nfs/dbraw/zinc/42/20/10/621422010.db2.gz KZFIZTWRVZQUJA-YJBOKZPZSA-N 1 1 283.419 3.083 20 30 CGEDMO C[C@@H]([NH2+][C@H]1CCOc2ccc(F)cc21)c1cc(C#N)ccn1 ZINC000902860064 621478589 /nfs/dbraw/zinc/47/85/89/621478589.db2.gz OCUKMVIUHKIZSA-ABAIWWIYSA-N 1 1 297.333 3.267 20 30 CGEDMO C[C@H]([NH2+]C1(c2ccccc2)CC1)c1cc(C#N)ccn1 ZINC000902912606 621495470 /nfs/dbraw/zinc/49/54/70/621495470.db2.gz RECUZMLXHGMCPN-ZDUSSCGKSA-N 1 1 263.344 3.293 20 30 CGEDMO CCc1nc(C[NH2+][C@@H](CC)c2cccc(C#N)c2)co1 ZINC000903013165 621533759 /nfs/dbraw/zinc/53/37/59/621533759.db2.gz XVUSFXYLAXBRJR-HNNXBMFYSA-N 1 1 269.348 3.350 20 30 CGEDMO CCc1nc(C)c([C@@H](C)[NH2+]CC2(C#N)CCC2)s1 ZINC000903032769 621535940 /nfs/dbraw/zinc/53/59/40/621535940.db2.gz XFHBMNKFLNWMGB-SNVBAGLBSA-N 1 1 263.410 3.358 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CCC1)c1cc(F)cc(F)c1 ZINC000903032749 621536699 /nfs/dbraw/zinc/53/66/99/621536699.db2.gz WTOQFJCVXFHBPI-SNVBAGLBSA-N 1 1 250.292 3.309 20 30 CGEDMO C[C@H](NC[C@H]1CC[N@H+]1C1CCCCC1)c1cc(C#N)ccn1 ZINC000903064112 621552267 /nfs/dbraw/zinc/55/22/67/621552267.db2.gz MFAFFXUTTAKYJY-WMLDXEAASA-N 1 1 298.434 3.011 20 30 CGEDMO C[C@H]([NH2+]C[C@H]1CCN1C1CCCCC1)c1cc(C#N)ccn1 ZINC000903064112 621552273 /nfs/dbraw/zinc/55/22/73/621552273.db2.gz MFAFFXUTTAKYJY-WMLDXEAASA-N 1 1 298.434 3.011 20 30 CGEDMO C=CCC[C@H]([NH2+]Cc1nncn1C)c1cccc(Cl)c1 ZINC000903067316 621552588 /nfs/dbraw/zinc/55/25/88/621552588.db2.gz REDWCNNQERAFAH-AWEZNQCLSA-N 1 1 290.798 3.266 20 30 CGEDMO CCc1nc(C)c([C@@H](C)[NH2+]CC(C)(C)C#N)s1 ZINC000903100022 621572560 /nfs/dbraw/zinc/57/25/60/621572560.db2.gz GGAJEJVDESFDDV-SECBINFHSA-N 1 1 251.399 3.214 20 30 CGEDMO Cc1c([C@H](C)[NH2+]CC(C)(C)C#N)cnn1-c1ccccc1 ZINC000903100781 621574533 /nfs/dbraw/zinc/57/45/33/621574533.db2.gz XQOJKCCMDSFSGT-ZDUSSCGKSA-N 1 1 282.391 3.381 20 30 CGEDMO CC[C@@H]([NH2+]CC1(C#N)CC1)c1cc(C)ccc1OC ZINC000903106435 621579501 /nfs/dbraw/zinc/57/95/01/621579501.db2.gz QGHHWCKHTVIPOP-CQSZACIVSA-N 1 1 258.365 3.348 20 30 CGEDMO N#CC1(C[NH2+][C@@H](Cc2ccncc2)c2cccs2)CC1 ZINC000903106858 621579919 /nfs/dbraw/zinc/57/99/19/621579919.db2.gz WYFRWFSRNDMXBE-AWEZNQCLSA-N 1 1 283.400 3.320 20 30 CGEDMO N#CC1(C[NH2+][C@H]2CCCc3ccc(O)cc32)CCCC1 ZINC000903108387 621582009 /nfs/dbraw/zinc/58/20/09/621582009.db2.gz BOTGECDVGLPHDE-INIZCTEOSA-N 1 1 270.376 3.443 20 30 CGEDMO C[C@@H]([NH2+][C@H](c1ccccn1)C1CC1)c1cccc(C#N)c1O ZINC000903335196 621691689 /nfs/dbraw/zinc/69/16/89/621691689.db2.gz MDKHIAXXSNHDEV-PXAZEXFGSA-N 1 1 293.370 3.461 20 30 CGEDMO N#CC1(CCCCN2CCCCC[C@@H]([NH3+])C2)CCC1 ZINC000903775597 621805661 /nfs/dbraw/zinc/80/56/61/621805661.db2.gz MQBNFZGENGYDFL-OAHLLOKOSA-N 1 1 263.429 3.054 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCCCC[C@@H](N)C2)CCC1 ZINC000903775597 621805663 /nfs/dbraw/zinc/80/56/63/621805663.db2.gz MQBNFZGENGYDFL-OAHLLOKOSA-N 1 1 263.429 3.054 20 30 CGEDMO N#CC1(CCCC[N@@H+]2CCCCC[C@@H](N)C2)CCC1 ZINC000903775597 621805666 /nfs/dbraw/zinc/80/56/66/621805666.db2.gz MQBNFZGENGYDFL-OAHLLOKOSA-N 1 1 263.429 3.054 20 30 CGEDMO C[C@@H]1CC[C@H](CN)[N@@H+](CCCCC2(C#N)CCC2)[C@H]1C ZINC000903782481 621806756 /nfs/dbraw/zinc/80/67/56/621806756.db2.gz NHTXIGWYXFDMTC-OWCLPIDISA-N 1 1 277.456 3.298 20 30 CGEDMO C[C@@H]1CC[C@H](C[NH3+])N(CCCCC2(C#N)CCC2)[C@H]1C ZINC000903782481 621806758 /nfs/dbraw/zinc/80/67/58/621806758.db2.gz NHTXIGWYXFDMTC-OWCLPIDISA-N 1 1 277.456 3.298 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccc(C)cc2OC)no1 ZINC000904709206 621960792 /nfs/dbraw/zinc/96/07/92/621960792.db2.gz UAHIDOWTRVVLHL-ZDUSSCGKSA-N 1 1 287.363 3.410 20 30 CGEDMO N#CCCC[C@H]([NH2+]Cc1cn(C2CC2)nn1)c1ccccc1 ZINC000906305013 622214757 /nfs/dbraw/zinc/21/47/57/622214757.db2.gz YXBAAHDETFTUTP-KRWDZBQOSA-N 1 1 295.390 3.138 20 30 CGEDMO CC[C@@H]([NH2+]Cc1ccoc1C)c1cccc(C#N)c1O ZINC000924823416 622386109 /nfs/dbraw/zinc/38/61/09/622386109.db2.gz BBYUTTDKSOOWCF-OAHLLOKOSA-N 1 1 270.332 3.406 20 30 CGEDMO C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)C2CCCC2)CC1 ZINC000996887386 625583408 /nfs/dbraw/zinc/58/34/08/625583408.db2.gz VFPPLFFWYDQYTK-CYBMUJFWSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CCc1cc(C[N@H+]2CC[C@@H](C)[C@H]2C)c(O)c(OC)c1 ZINC000164452245 622835576 /nfs/dbraw/zinc/83/55/76/622835576.db2.gz HTGQLCYPPJNZLD-CHWSQXEVSA-N 1 1 275.392 3.360 20 30 CGEDMO C=CCc1cc(C[N@@H+](C)CCC2CC2)c(O)c(OC)c1 ZINC000164539648 622837756 /nfs/dbraw/zinc/83/77/56/622837756.db2.gz LXMQZYLPGXEIPS-UHFFFAOYSA-N 1 1 275.392 3.361 20 30 CGEDMO C#CCCOc1ccc(CNc2ccc(C)c[nH+]2)cc1 ZINC000157450693 622907605 /nfs/dbraw/zinc/90/76/05/622907605.db2.gz NGSIGAYPEPTUFV-UHFFFAOYSA-N 1 1 266.344 3.404 20 30 CGEDMO C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)C2=CCCC2)CC1 ZINC000997027842 625608860 /nfs/dbraw/zinc/60/88/60/625608860.db2.gz ZBDQJBLEXNYEGB-CYBMUJFWSA-N 1 1 296.842 3.066 20 30 CGEDMO Cc1cccc([C@H]2CC[N@@H+](Cc3cccc(C#N)n3)C2)c1 ZINC000602608548 623074832 /nfs/dbraw/zinc/07/48/32/623074832.db2.gz NQICCNDXQIEUGD-INIZCTEOSA-N 1 1 277.371 3.251 20 30 CGEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCC3(CCCC3)C2)c1 ZINC000173830342 623343034 /nfs/dbraw/zinc/34/30/34/623343034.db2.gz RLTCKFYTGFSURE-UHFFFAOYSA-N 1 1 297.402 3.153 20 30 CGEDMO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1cncc(C#N)c1 ZINC000929676286 623504754 /nfs/dbraw/zinc/50/47/54/623504754.db2.gz MZPBESAZWPUPRP-SUMWQHHRSA-N 1 1 295.361 3.470 20 30 CGEDMO C#CCNC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000915312040 623950208 /nfs/dbraw/zinc/95/02/08/623950208.db2.gz YIAZCJPEHAWJDQ-UHFFFAOYSA-N 1 1 299.418 3.206 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2cc(C)cs2)[C@@H]1C ZINC000993303926 624002756 /nfs/dbraw/zinc/00/27/56/624002756.db2.gz AHPPPZVFLMLGPU-KBPBESRZSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C(C)=C2CCC2)[C@@H]1C ZINC000993312486 624010639 /nfs/dbraw/zinc/01/06/39/624010639.db2.gz NGDSFAXJZHXNCS-GOEBONIOSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cscc2Cl)[C@@H]1C ZINC000993468007 624051625 /nfs/dbraw/zinc/05/16/25/624051625.db2.gz URQQLPKMYLPJOD-GXFFZTMASA-N 1 1 298.839 3.170 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)co2)[C@H]1C ZINC000993710682 624057881 /nfs/dbraw/zinc/05/78/81/624057881.db2.gz VFAOAGPFWCGUHU-CABCVRRESA-N 1 1 290.407 3.137 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CC)[C@@H]1C ZINC000993699727 624058681 /nfs/dbraw/zinc/05/86/81/624058681.db2.gz AEASWDZTKMPAFM-WMLDXEAASA-N 1 1 286.419 3.018 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CCC[N@@H+](CC3CC3)[C@@H]2C)CC1 ZINC000993747111 624060322 /nfs/dbraw/zinc/06/03/22/624060322.db2.gz WLAZOCDKIMBNSK-PBHICJAKSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2occc2CC)[C@@H]1C ZINC000993784102 624064213 /nfs/dbraw/zinc/06/42/13/624064213.db2.gz BTBNTBBWSAYVGZ-DZGCQCFKSA-N 1 1 290.407 3.001 20 30 CGEDMO Cc1[nH]c(CSc2nc3c(c(C)c2C#N)CCC3)c(C)[nH+]1 ZINC000916193055 624120250 /nfs/dbraw/zinc/12/02/50/624120250.db2.gz UONDPWLLVPXRJX-UHFFFAOYSA-N 1 1 298.415 3.383 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(C(=O)N2CCCC2)cc1)C(C)C ZINC000917071549 624233761 /nfs/dbraw/zinc/23/37/61/624233761.db2.gz VNAVHWMUZWLDQT-UHFFFAOYSA-N 1 1 286.419 3.319 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1ccccc1OC(F)F)C(C)C ZINC000917071052 624233973 /nfs/dbraw/zinc/23/39/73/624233973.db2.gz NFPPWACZSYHCSV-UHFFFAOYSA-N 1 1 298.333 3.123 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1ccccc1OC(F)F)C(C)C ZINC000917071052 624233976 /nfs/dbraw/zinc/23/39/76/624233976.db2.gz NFPPWACZSYHCSV-UHFFFAOYSA-N 1 1 298.333 3.123 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccoc2C(C)C)[C@@H]1C ZINC000994487831 624241760 /nfs/dbraw/zinc/24/17/60/624241760.db2.gz PNMUFWYAEOJJSE-ZFWWWQNUSA-N 1 1 290.407 3.172 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(F)s2)[C@H]1C ZINC000994503102 624244078 /nfs/dbraw/zinc/24/40/78/624244078.db2.gz DTGVWRBSIZKHEM-NEPJUHHUSA-N 1 1 296.411 3.046 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(F)s2)[C@H]1C ZINC000994510615 624247264 /nfs/dbraw/zinc/24/72/64/624247264.db2.gz RWMFPSZEYPVXOA-VXGBXAGGSA-N 1 1 296.411 3.046 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2coc3ccccc23)[C@H]1C ZINC000994521639 624267222 /nfs/dbraw/zinc/26/72/22/624267222.db2.gz ASGQRMWQYNWCHM-CZUORRHYSA-N 1 1 298.386 3.202 20 30 CGEDMO Cc1cc(O)c(C[N@H+](CCC#N)CC(C)C)cc1C ZINC000919945131 624434010 /nfs/dbraw/zinc/43/40/10/624434010.db2.gz XKIWYVPWSQTJEL-UHFFFAOYSA-N 1 1 260.381 3.381 20 30 CGEDMO CN(C)c1ccc(C[N@@H+](C)Cc2cc(C#N)cs2)cc1 ZINC000155181444 624447333 /nfs/dbraw/zinc/44/73/33/624447333.db2.gz WLWZNRHDLBNTQC-UHFFFAOYSA-N 1 1 285.416 3.318 20 30 CGEDMO C=C(Cl)CN1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000170901983 624798362 /nfs/dbraw/zinc/79/83/62/624798362.db2.gz WQBVBGKKQDAIGV-CQSZACIVSA-N 1 1 294.826 3.126 20 30 CGEDMO NC(=[NH+]OCCCOCc1ccccc1)C1CCCC1 ZINC000183245079 625056929 /nfs/dbraw/zinc/05/69/29/625056929.db2.gz KFSKOPZVZWYTOO-UHFFFAOYSA-N 1 1 276.380 3.072 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(CC)C(=O)C2=CCCC2)CC1 ZINC000997972876 625779786 /nfs/dbraw/zinc/77/97/86/625779786.db2.gz UYYASAFANGSKTK-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC23CC3)CC1 ZINC000998143934 625791391 /nfs/dbraw/zinc/79/13/91/625791391.db2.gz QUWDNMYVUMTUQU-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C[C@](C)(CC)COC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000835335758 634456547 /nfs/dbraw/zinc/45/65/47/634456547.db2.gz DRDPSBNYWMMYIG-MRXNPFEDSA-N 1 1 285.347 3.026 20 30 CGEDMO CCc1noc(CC)c1C[NH2+]Cc1csc(C#N)c1 ZINC000921831562 625894084 /nfs/dbraw/zinc/89/40/84/625894084.db2.gz XILMSDMORGMWSI-UHFFFAOYSA-N 1 1 275.377 3.022 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1noc2c1CCCC2 ZINC000922130662 625971412 /nfs/dbraw/zinc/97/14/12/625971412.db2.gz FFFDBJMRQANTJM-UHFFFAOYSA-N 1 1 295.386 3.332 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001016375487 625976063 /nfs/dbraw/zinc/97/60/63/625976063.db2.gz XPYKTCHWYPKEJI-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO Cc1cc(C[NH2+]Cc2nc3c(s2)CCCC3)ccc1C#N ZINC000922697517 626033186 /nfs/dbraw/zinc/03/31/86/626033186.db2.gz UZUTYSRPARWWQZ-UHFFFAOYSA-N 1 1 297.427 3.492 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C)CC)CC1 ZINC001004334672 626040121 /nfs/dbraw/zinc/04/01/21/626040121.db2.gz AKCBXEOZYKRBLY-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2(CC)CC2)CC1 ZINC001004539970 626065539 /nfs/dbraw/zinc/06/55/39/626065539.db2.gz ODRVCHDCVLCJPJ-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000752092403 626418716 /nfs/dbraw/zinc/41/87/16/626418716.db2.gz BXWZVXOYWRUAFC-MRXNPFEDSA-N 1 1 279.811 3.463 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000752092403 626418719 /nfs/dbraw/zinc/41/87/19/626418719.db2.gz BXWZVXOYWRUAFC-MRXNPFEDSA-N 1 1 279.811 3.463 20 30 CGEDMO COc1ccc(N[NH+]=Cc2c(C)cc(N)cc2C)cc1 ZINC000752734673 626436791 /nfs/dbraw/zinc/43/67/91/626436791.db2.gz KDEMDTBMRMOAQG-UHFFFAOYSA-N 1 1 269.348 3.340 20 30 CGEDMO Brc1cnn([NH+]=C2CCCCCC2)c1 ZINC000752745480 626437199 /nfs/dbraw/zinc/43/71/99/626437199.db2.gz BWMVYGAJWQKNFH-UHFFFAOYSA-N 1 1 256.147 3.204 20 30 CGEDMO C[C@@H]1CC(N=Nc2ncccc2C(F)(F)F)C[N@H+]1C1CC1 ZINC000753956493 626470146 /nfs/dbraw/zinc/47/01/46/626470146.db2.gz UWYDMUOSGOSZBF-SECBINFHSA-N 1 1 298.312 3.125 20 30 CGEDMO C=CCCCCC[N@@H+](C)CN1C(=O)SC(C)(C)C1=O ZINC000754006199 626471808 /nfs/dbraw/zinc/47/18/08/626471808.db2.gz VUVABFZJISNEOD-UHFFFAOYSA-N 1 1 284.425 3.096 20 30 CGEDMO C=CCCCCC[N@H+](C)CN1C(=O)SC(C)(C)C1=O ZINC000754006199 626471809 /nfs/dbraw/zinc/47/18/09/626471809.db2.gz VUVABFZJISNEOD-UHFFFAOYSA-N 1 1 284.425 3.096 20 30 CGEDMO CC(C)[N@@H+]1CC(N=Nc2ccc3ccccc3n2)[C@@H](C)C1 ZINC000754254768 626565120 /nfs/dbraw/zinc/56/51/20/626565120.db2.gz PGYGAPNFVPEBPQ-ZDUSSCGKSA-N 1 1 282.391 3.363 20 30 CGEDMO C[C@H]1C[N@H+](C2CC2)CC1N=Nc1ccc(OC(F)F)cc1 ZINC000755890037 626655991 /nfs/dbraw/zinc/65/59/91/626655991.db2.gz NQORZDAXPRYHNY-JTQLQIEISA-N 1 1 295.333 3.170 20 30 CGEDMO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(F)cc1O ZINC000756731828 626728024 /nfs/dbraw/zinc/72/80/24/626728024.db2.gz IPHRHPPCNOCXKV-JTQLQIEISA-N 1 1 288.297 3.393 20 30 CGEDMO C#CC[C@@H]([NH2+]Cc1nc2ccccc2n1C)c1ccccc1 ZINC000756996066 626746122 /nfs/dbraw/zinc/74/61/22/626746122.db2.gz NEBKJHGAIREQBX-MRXNPFEDSA-N 1 1 289.382 3.428 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cccc(C(=O)C(F)(F)F)c1 ZINC000839548044 626761602 /nfs/dbraw/zinc/76/16/02/626761602.db2.gz MCYMKAOPGGOHDS-UHFFFAOYSA-N 1 1 271.282 3.440 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)OC(C)(C)C ZINC000839657141 626770957 /nfs/dbraw/zinc/77/09/57/626770957.db2.gz GIRHQINPXUKRQA-UHFFFAOYSA-N 1 1 270.417 3.141 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000757642432 626796746 /nfs/dbraw/zinc/79/67/46/626796746.db2.gz LYLTVEROGVSOEB-ZDUSSCGKSA-N 1 1 275.783 3.253 20 30 CGEDMO C#CCC[N@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000760821164 626994354 /nfs/dbraw/zinc/99/43/54/626994354.db2.gz PDYAAPUYOZPUDM-IRXDYDNUSA-N 1 1 257.377 3.109 20 30 CGEDMO C=C(Cl)CN(CC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000760879249 626999011 /nfs/dbraw/zinc/99/90/11/626999011.db2.gz SUIWKMLIOAMZIS-MRXNPFEDSA-N 1 1 278.827 3.335 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000760888215 627000218 /nfs/dbraw/zinc/00/02/18/627000218.db2.gz SGCZEDZPEOQOHF-CQSZACIVSA-N 1 1 277.795 3.454 20 30 CGEDMO C#CCCN1CC[NH+]([C@@H](CC)c2ccc(Cl)cc2)CC1 ZINC000762299509 627105029 /nfs/dbraw/zinc/10/50/29/627105029.db2.gz UQXDTJZTODVVPF-KRWDZBQOSA-N 1 1 290.838 3.432 20 30 CGEDMO C=CC[N@@H+](C[C@H]1CC2(CC2)C(=O)O1)CC1CCCCC1 ZINC000763690943 627173920 /nfs/dbraw/zinc/17/39/20/627173920.db2.gz MCBHRGHFSPCCNM-OAHLLOKOSA-N 1 1 277.408 3.150 20 30 CGEDMO C#CCC[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000764234223 627200539 /nfs/dbraw/zinc/20/05/39/627200539.db2.gz UBKULLWHCLMPLB-UHFFFAOYSA-N 1 1 257.255 3.040 20 30 CGEDMO CC(C)[N@@H+]1CC(=NNCc2cnc3ccccc3c2)[C@@H](C)C1 ZINC000764779794 627223140 /nfs/dbraw/zinc/22/31/40/627223140.db2.gz VFNVSKSZSCTTCL-AWEZNQCLSA-N 1 1 296.418 3.041 20 30 CGEDMO C#CCOc1ccc([C@@H](C)NCC[N@H+](CC)C(C)C)cc1 ZINC000765627887 627263660 /nfs/dbraw/zinc/26/36/60/627263660.db2.gz MDMRAUCVDLWLNH-MRXNPFEDSA-N 1 1 288.435 3.080 20 30 CGEDMO C#CCOc1ccc([C@@H](C)[NH2+]CCN(CC)C(C)C)cc1 ZINC000765627887 627263662 /nfs/dbraw/zinc/26/36/62/627263662.db2.gz MDMRAUCVDLWLNH-MRXNPFEDSA-N 1 1 288.435 3.080 20 30 CGEDMO C=CCCCC(=O)OC[C@@H]1CCC[N@H+]1Cc1ccco1 ZINC000765965702 627282267 /nfs/dbraw/zinc/28/22/67/627282267.db2.gz CLVIYVHVWSFSSQ-AWEZNQCLSA-N 1 1 277.364 3.144 20 30 CGEDMO C#CCCC[N@@H+](C)Cc1csc([C@@H](C)OCC)n1 ZINC000766904107 627369524 /nfs/dbraw/zinc/36/95/24/627369524.db2.gz WONLTDQNFQGVJG-GFCCVEGCSA-N 1 1 266.410 3.086 20 30 CGEDMO C#CCCC[N@H+](C)Cc1csc([C@@H](C)OCC)n1 ZINC000766904107 627369528 /nfs/dbraw/zinc/36/95/28/627369528.db2.gz WONLTDQNFQGVJG-GFCCVEGCSA-N 1 1 266.410 3.086 20 30 CGEDMO C#CCCC[N@H+]1CCc2c(F)cc(Br)cc2C1 ZINC000766905437 627369587 /nfs/dbraw/zinc/36/95/87/627369587.db2.gz LYYAXCDXTLQELW-UHFFFAOYSA-N 1 1 296.183 3.360 20 30 CGEDMO C#CCCC[N@@H+]1CCc2c(F)cc(Br)cc2C1 ZINC000766905437 627369590 /nfs/dbraw/zinc/36/95/90/627369590.db2.gz LYYAXCDXTLQELW-UHFFFAOYSA-N 1 1 296.183 3.360 20 30 CGEDMO C=CC[N@@H+](Cc1cnn(-c2ccc(F)cc2)c1)C(C)C ZINC000768552353 627486534 /nfs/dbraw/zinc/48/65/34/627486534.db2.gz UUYROKRDRCXNBZ-UHFFFAOYSA-N 1 1 273.355 3.408 20 30 CGEDMO C#CCC1(C(=O)Nc2cc[nH+]c(N(C)C)c2)CCCCC1 ZINC000788230008 627501142 /nfs/dbraw/zinc/50/11/42/627501142.db2.gz UPDNNYFKEHLOEH-UHFFFAOYSA-N 1 1 285.391 3.060 20 30 CGEDMO CC[C@@H]1CCC[N@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000769011529 627516575 /nfs/dbraw/zinc/51/65/75/627516575.db2.gz XSFPUWDGAZFGFT-DZGCQCFKSA-N 1 1 258.365 3.352 20 30 CGEDMO C#CCOc1ccc(C[N@@H+](CC)CCc2ccccn2)cc1 ZINC000769035196 627519576 /nfs/dbraw/zinc/51/95/76/627519576.db2.gz GHVPPRUGVVQNML-UHFFFAOYSA-N 1 1 294.398 3.158 20 30 CGEDMO C#CC[N@H+](Cc1cccc(OCC)n1)C1CCCCC1 ZINC000769145626 627526280 /nfs/dbraw/zinc/52/62/80/627526280.db2.gz KIUUEYNRRABNEC-UHFFFAOYSA-N 1 1 272.392 3.248 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CCS[C@H](C)[C@@H]2C)cc1 ZINC000769446331 627552886 /nfs/dbraw/zinc/55/28/86/627552886.db2.gz NIKLGRPXPAQVRW-LSDHHAIUSA-N 1 1 289.444 3.415 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OCC)cc1O)C1CCCC1 ZINC000769531883 627562945 /nfs/dbraw/zinc/56/29/45/627562945.db2.gz YYYGXSHKWDTOLB-UHFFFAOYSA-N 1 1 273.376 3.169 20 30 CGEDMO CC(=[NH+]OCc1cccnc1)c1ccccc1N(C)C ZINC000769583030 627567438 /nfs/dbraw/zinc/56/74/38/627567438.db2.gz AGLUFQDKMXDTAC-UHFFFAOYSA-N 1 1 269.348 3.088 20 30 CGEDMO C=C(C)CN1CCC([NH2+][C@H](C)c2c(C)onc2CC)CC1 ZINC000769872521 627585197 /nfs/dbraw/zinc/58/51/97/627585197.db2.gz ILWCWAUOGJDDFC-CYBMUJFWSA-N 1 1 291.439 3.237 20 30 CGEDMO C=CC[C@H]1[N@H+](CCN2CCCC2)CCCC1(C)C ZINC000769952459 627592047 /nfs/dbraw/zinc/59/20/47/627592047.db2.gz BQUBAFFZKSFJML-OAHLLOKOSA-N 1 1 250.430 3.149 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)CCCOc1ccc(Cl)cc1 ZINC000769975971 627593805 /nfs/dbraw/zinc/59/38/05/627593805.db2.gz QQKGNYCNPOEMRH-LBPRGKRZSA-N 1 1 251.757 3.062 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CCCC2(CC2)C1 ZINC000770678121 627636985 /nfs/dbraw/zinc/63/69/85/627636985.db2.gz ZCLQOJDUCNNHBD-UHFFFAOYSA-N 1 1 255.361 3.075 20 30 CGEDMO C=C(Br)C[N@@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000771465348 627711776 /nfs/dbraw/zinc/71/17/76/627711776.db2.gz UANIHMFGCCEANT-JTQLQIEISA-N 1 1 258.203 3.407 20 30 CGEDMO C=CC[N@H+](Cn1ccc(-c2ccsc2)n1)C1CC1 ZINC000771643279 627724889 /nfs/dbraw/zinc/72/48/89/627724889.db2.gz ZGMZZTVRJTUUPG-UHFFFAOYSA-N 1 1 259.378 3.220 20 30 CGEDMO C=CC[N@@H+](Cn1ccc(-c2ccsc2)n1)C1CC1 ZINC000771643279 627724892 /nfs/dbraw/zinc/72/48/92/627724892.db2.gz ZGMZZTVRJTUUPG-UHFFFAOYSA-N 1 1 259.378 3.220 20 30 CGEDMO C#CC[NH+](CC#C)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000772798115 627824018 /nfs/dbraw/zinc/82/40/18/627824018.db2.gz OXBDEAYGAGJIGV-UHFFFAOYSA-N 1 1 299.377 3.070 20 30 CGEDMO CCN(C)c1ccccc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000772925420 627833313 /nfs/dbraw/zinc/83/33/13/627833313.db2.gz ALPTZAXUDDIZDB-UHFFFAOYSA-N 1 1 297.377 3.443 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000773003296 627840111 /nfs/dbraw/zinc/84/01/11/627840111.db2.gz CRZHXPQNYMEOHM-JTQLQIEISA-N 1 1 255.793 3.350 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000773430298 627883130 /nfs/dbraw/zinc/88/31/30/627883130.db2.gz XMEHKZRCNYXCCB-AWEZNQCLSA-N 1 1 282.428 3.284 20 30 CGEDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000774618480 628009472 /nfs/dbraw/zinc/00/94/72/628009472.db2.gz LLIVYQVCRYQEIK-KBXCAEBGSA-N 1 1 294.402 3.500 20 30 CGEDMO CCCCCCCC[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000774772426 628026776 /nfs/dbraw/zinc/02/67/76/628026776.db2.gz PWIUGXSLJQRYFZ-NSHDSACASA-N 1 1 255.324 3.202 20 30 CGEDMO CC[N@@H+](CCc1ccccn1)Cc1ccc(C#N)c(C)c1 ZINC000774853878 628040205 /nfs/dbraw/zinc/04/02/05/628040205.db2.gz SQDSVWFGXMKIOR-UHFFFAOYSA-N 1 1 279.387 3.326 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1C ZINC000775184039 628068855 /nfs/dbraw/zinc/06/88/55/628068855.db2.gz SYHVHLVTQLXMOJ-LLVKDONJSA-N 1 1 255.283 3.467 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000775182600 628069642 /nfs/dbraw/zinc/06/96/42/628069642.db2.gz FAECHQBNYIOMQX-HNNXBMFYSA-N 1 1 295.430 3.310 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000775182600 628069647 /nfs/dbraw/zinc/06/96/47/628069647.db2.gz FAECHQBNYIOMQX-HNNXBMFYSA-N 1 1 295.430 3.310 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1c(Cl)oc2ccccc21)[C@@H]1CCCO1 ZINC000775343276 628084886 /nfs/dbraw/zinc/08/48/86/628084886.db2.gz VTVXWHRFWHGAJO-HIFRSBDPSA-N 1 1 289.762 3.357 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(c2ccc(C)cc2)CC1 ZINC000775578755 628110825 /nfs/dbraw/zinc/11/08/25/628110825.db2.gz ZRPMGTNPHGDQMO-UHFFFAOYSA-N 1 1 258.409 3.473 20 30 CGEDMO Cc1cc(Cl)cc(C[N@@H+](C[C@H](C)C#N)C2CC2)c1O ZINC000775733998 628130695 /nfs/dbraw/zinc/13/06/95/628130695.db2.gz XPPNUPHCXBCLBE-SNVBAGLBSA-N 1 1 278.783 3.478 20 30 CGEDMO Cc1cc(Cl)cc(C[N@H+](C[C@H](C)C#N)C2CC2)c1O ZINC000775733998 628130697 /nfs/dbraw/zinc/13/06/97/628130697.db2.gz XPPNUPHCXBCLBE-SNVBAGLBSA-N 1 1 278.783 3.478 20 30 CGEDMO C#CC[N@@H+](Cc1cc(-c2ccncc2)ccc1OC)C1CC1 ZINC000775981182 628155163 /nfs/dbraw/zinc/15/51/63/628155163.db2.gz YVUUUSGGVSLECJ-UHFFFAOYSA-N 1 1 292.382 3.355 20 30 CGEDMO C#CC[N@H+](Cc1cc(-c2ccncc2)ccc1OC)C1CC1 ZINC000775981182 628155164 /nfs/dbraw/zinc/15/51/64/628155164.db2.gz YVUUUSGGVSLECJ-UHFFFAOYSA-N 1 1 292.382 3.355 20 30 CGEDMO COc1ccc(C[NH2+][C@H](CCC#N)c2ccccc2)nc1 ZINC000776010745 628157685 /nfs/dbraw/zinc/15/76/85/628157685.db2.gz YFDSFWZYVOOSDQ-QGZVFWFLSA-N 1 1 281.359 3.225 20 30 CGEDMO C=CCC[C@@H](C(=O)OCCn1cc[nH+]c1C)c1ccccc1 ZINC000778552846 628356587 /nfs/dbraw/zinc/35/65/87/628356587.db2.gz RACILDKVZXVLGV-QGZVFWFLSA-N 1 1 298.386 3.485 20 30 CGEDMO C=CCc1cc(OCC)cc(C[N@@H+]2CC=CCC2)c1O ZINC000778577470 628359155 /nfs/dbraw/zinc/35/91/55/628359155.db2.gz VYCJOCZBOOPOCP-UHFFFAOYSA-N 1 1 273.376 3.281 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+](C)Cc1ncc(Cl)n1C ZINC000778989213 628380705 /nfs/dbraw/zinc/38/07/05/628380705.db2.gz TVZIJKNCBCNYIO-LLVKDONJSA-N 1 1 255.793 3.250 20 30 CGEDMO C=CCCC[C@@H](C)[N@@H+](C)Cc1ncc(Cl)n1C ZINC000778989213 628380707 /nfs/dbraw/zinc/38/07/07/628380707.db2.gz TVZIJKNCBCNYIO-LLVKDONJSA-N 1 1 255.793 3.250 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](C)[C@H](F)C2)cc1 ZINC000779149758 628390383 /nfs/dbraw/zinc/39/03/83/628390383.db2.gz ORKJNXQLSZKTOM-WOSRLPQWSA-N 1 1 276.355 3.157 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](C)[C@H](F)C2)cc1 ZINC000779149758 628390385 /nfs/dbraw/zinc/39/03/85/628390385.db2.gz ORKJNXQLSZKTOM-WOSRLPQWSA-N 1 1 276.355 3.157 20 30 CGEDMO CC(=NNc1cc[nH+]cc1)c1ccc(OC(C)C)cc1 ZINC000779808592 628433406 /nfs/dbraw/zinc/43/34/06/628433406.db2.gz MOAIZXXSCMZKLV-UHFFFAOYSA-N 1 1 269.348 3.127 20 30 CGEDMO CCC(=NNc1cc[nH+]cc1)c1ccc(CC)cc1 ZINC000779810058 628433941 /nfs/dbraw/zinc/43/39/41/628433941.db2.gz YYIAOWNTLDCJAU-UHFFFAOYSA-N 1 1 253.349 3.292 20 30 CGEDMO COc1ccccc1CCC[N@@H+](CCC#N)CC(C)C ZINC000780289721 628478717 /nfs/dbraw/zinc/47/87/17/628478717.db2.gz QSLCOTNFGULRKF-UHFFFAOYSA-N 1 1 274.408 3.499 20 30 CGEDMO N#Cc1ccc(CNc2cc[nH+]c3ccsc32)nc1 ZINC000780612869 628504764 /nfs/dbraw/zinc/50/47/64/628504764.db2.gz NCFOIOJQKNWPGB-UHFFFAOYSA-N 1 1 266.329 3.175 20 30 CGEDMO C[C@@H]1CC(N=Nc2ccnc(F)c2)C[N@H+]1Cc1ccccc1 ZINC000781127314 628538552 /nfs/dbraw/zinc/53/85/52/628538552.db2.gz MAQRKGYHKGDQLA-CYBMUJFWSA-N 1 1 298.365 3.283 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)c1ccc(F)cc1 ZINC000782185121 628622064 /nfs/dbraw/zinc/62/20/64/628622064.db2.gz WXOQKFMOZVKDPM-FZKQIMNGSA-N 1 1 298.361 3.424 20 30 CGEDMO CC(C)C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccccn1 ZINC000783300423 628701476 /nfs/dbraw/zinc/70/14/76/628701476.db2.gz MCSSTVYINWGLNV-QGZVFWFLSA-N 1 1 280.375 3.225 20 30 CGEDMO CC(C)CC(N)=[NH+]OCc1ccc(C#N)cc1Cl ZINC000783984278 628762532 /nfs/dbraw/zinc/76/25/32/628762532.db2.gz HQYKRVXLYRIBMS-UHFFFAOYSA-N 1 1 265.744 3.256 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000784504520 628817485 /nfs/dbraw/zinc/81/74/85/628817485.db2.gz JJVGAHFPQWNAPJ-RRFJBIMHSA-N 1 1 294.439 3.188 20 30 CGEDMO C#CC[N@@H+](CC)Cc1cncc(OCc2ccccc2)c1 ZINC000785697639 628882115 /nfs/dbraw/zinc/88/21/15/628882115.db2.gz PBNUUMIGAFDHMY-UHFFFAOYSA-N 1 1 280.371 3.116 20 30 CGEDMO C#CC[N@H+](CC)Cc1cncc(OCc2ccccc2)c1 ZINC000785697639 628882119 /nfs/dbraw/zinc/88/21/19/628882119.db2.gz PBNUUMIGAFDHMY-UHFFFAOYSA-N 1 1 280.371 3.116 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000786435994 628932929 /nfs/dbraw/zinc/93/29/29/628932929.db2.gz KFJVIFSXQUQDDG-AWEZNQCLSA-N 1 1 282.428 3.141 20 30 CGEDMO C#CCOc1ccc(C[N@H+](C)C2(C)CCCC2)cc1 ZINC000787337162 629009097 /nfs/dbraw/zinc/00/90/97/629009097.db2.gz IMPOWAACCIDRCE-UHFFFAOYSA-N 1 1 257.377 3.463 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)CCOc1ccccc1Br ZINC000787998060 629038260 /nfs/dbraw/zinc/03/82/60/629038260.db2.gz WFJWIFJKTVFAFM-UHFFFAOYSA-N 1 1 296.208 3.172 20 30 CGEDMO COc1cc(N=NC2C[C@H](C)[N@H+](C3CC3)C2)ccc1Cl ZINC000788467265 629056334 /nfs/dbraw/zinc/05/63/34/629056334.db2.gz IHAZVPCNNSNDSR-JTQLQIEISA-N 1 1 293.798 3.373 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)C[C@H]2CCC[C@H](C)C2)n1 ZINC000789325336 629124280 /nfs/dbraw/zinc/12/42/80/629124280.db2.gz CMRGYESJYMTDPP-HOTGVXAUSA-N 1 1 273.424 3.165 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)CCc2ccccc2CC)n1 ZINC000789332844 629124538 /nfs/dbraw/zinc/12/45/38/629124538.db2.gz XDWJFNQPTUGKGC-UHFFFAOYSA-N 1 1 295.430 3.143 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(CCC)cc2)n1 ZINC000789325535 629124647 /nfs/dbraw/zinc/12/46/47/629124647.db2.gz GXNWXUWVTRXNAD-UHFFFAOYSA-N 1 1 295.430 3.491 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)Cc2ccc(CCC)cc2)n1 ZINC000789325535 629124649 /nfs/dbraw/zinc/12/46/49/629124649.db2.gz GXNWXUWVTRXNAD-UHFFFAOYSA-N 1 1 295.430 3.491 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)C1CCCCC1 ZINC000789727850 629164947 /nfs/dbraw/zinc/16/49/47/629164947.db2.gz JGIYQIHTLOLVRX-UHFFFAOYSA-N 1 1 283.375 3.438 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)C[C@@H]2CCCC[C@H]2C)n1 ZINC000789761802 629166063 /nfs/dbraw/zinc/16/60/63/629166063.db2.gz JABMHFSVXPKDSV-CVEARBPZSA-N 1 1 273.424 3.165 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000790364071 629207775 /nfs/dbraw/zinc/20/77/75/629207775.db2.gz WWOVXLBVWWHCKL-XHSDSOJGSA-N 1 1 269.429 3.225 20 30 CGEDMO C=CCC1(C(=O)OCC[C@H]2CCCC[N@@H+]2C)CCC1 ZINC000791559551 629288253 /nfs/dbraw/zinc/28/82/53/629288253.db2.gz XVSWZPXWNJHBLN-CQSZACIVSA-N 1 1 265.397 3.150 20 30 CGEDMO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2oc(C)nc2C)c1 ZINC000862280467 629337488 /nfs/dbraw/zinc/33/74/88/629337488.db2.gz JPLFMXPJKXLIIB-OAHLLOKOSA-N 1 1 299.374 3.262 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1c(O)cccc1Br ZINC000862302005 629341503 /nfs/dbraw/zinc/34/15/03/629341503.db2.gz VPXBZGHOBTVPRM-UHFFFAOYSA-N 1 1 270.170 3.163 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)CC1(OC)CCCC1 ZINC000792166234 629342584 /nfs/dbraw/zinc/34/25/84/629342584.db2.gz UHNDKQSLBOSAAO-UHFFFAOYSA-N 1 1 275.367 3.220 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)C[C@H](O)c1cnn(CC)c1 ZINC000792374335 629358350 /nfs/dbraw/zinc/35/83/50/629358350.db2.gz BLFNPCLZKUVNEL-SFHVURJKSA-N 1 1 299.418 3.015 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OC3CC3)c2)C1 ZINC000862400257 629363789 /nfs/dbraw/zinc/36/37/89/629363789.db2.gz RJRDGPXBXUEHAH-OAHLLOKOSA-N 1 1 299.414 3.472 20 30 CGEDMO CCCCCCCNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000875765291 634730426 /nfs/dbraw/zinc/73/04/26/634730426.db2.gz KHRYBUKAGRCHFL-LSDHHAIUSA-N 1 1 283.460 3.081 20 30 CGEDMO Brc1cnn([NH+]=C2CCC3(CC3)CC2)c1 ZINC000792634899 629372211 /nfs/dbraw/zinc/37/22/11/629372211.db2.gz KVOXWZPDFSZBAS-UHFFFAOYSA-N 1 1 268.158 3.204 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(OCC)cc2O)C1 ZINC000862441080 629373168 /nfs/dbraw/zinc/37/31/68/629373168.db2.gz OEHNATSTLNFOTH-ZDUSSCGKSA-N 1 1 261.365 3.189 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000862441747 629374048 /nfs/dbraw/zinc/37/40/48/629374048.db2.gz VJIVCTBWEDFAOR-NSHDSACASA-N 1 1 251.757 3.444 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2sc3nc(C)nc(C)c3c2C)C1 ZINC000862444116 629376934 /nfs/dbraw/zinc/37/69/34/629376934.db2.gz XZRYVZYMHFOBFY-AWEZNQCLSA-N 1 1 299.443 3.462 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000862445061 629377988 /nfs/dbraw/zinc/37/79/88/629377988.db2.gz LAZZHYDWLPDLIY-OAHLLOKOSA-N 1 1 269.388 3.321 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(Cl)c(OC)c2)C1 ZINC000862446564 629379370 /nfs/dbraw/zinc/37/93/70/629379370.db2.gz ALFGQAFFJUMGKQ-LBPRGKRZSA-N 1 1 263.768 3.194 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc3ccc(C)cc3[nH]2)C1 ZINC000862448550 629381522 /nfs/dbraw/zinc/38/15/22/629381522.db2.gz ZUPOWSMWPABDSU-CQSZACIVSA-N 1 1 252.361 3.322 20 30 CGEDMO C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C(C)(C)c1ccccc1 ZINC000792927200 629394297 /nfs/dbraw/zinc/39/42/97/629394297.db2.gz PEVBAFYSDKGYBC-GOSISDBHSA-N 1 1 294.398 3.459 20 30 CGEDMO CCCN[NH+]=Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000794493329 629546722 /nfs/dbraw/zinc/54/67/22/629546722.db2.gz FEQXXXYEMQHTAG-UHFFFAOYSA-N 1 1 273.302 3.105 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000863587570 629612147 /nfs/dbraw/zinc/61/21/47/629612147.db2.gz PRPJKVPOEJNSGC-ABAIWWIYSA-N 1 1 273.767 3.360 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1C[C@H](C)CC[C@H]1c1ccccc1 ZINC000796436876 629780867 /nfs/dbraw/zinc/78/08/67/629780867.db2.gz ZEDIZKMDVCTCIC-INMHGKMJSA-N 1 1 272.392 3.388 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)C[C@H]1CC1(Cl)Cl ZINC000796633385 629808013 /nfs/dbraw/zinc/80/80/13/629808013.db2.gz TWXSILHQQGKSRP-CYBMUJFWSA-N 1 1 268.187 3.316 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)C[C@H]1CC1(Cl)Cl ZINC000796633385 629808016 /nfs/dbraw/zinc/80/80/16/629808016.db2.gz TWXSILHQQGKSRP-CYBMUJFWSA-N 1 1 268.187 3.316 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)C[C@@H]1CC1(Cl)Cl ZINC000796633394 629808422 /nfs/dbraw/zinc/80/84/22/629808422.db2.gz TWXSILHQQGKSRP-ZDUSSCGKSA-N 1 1 268.187 3.316 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)C[C@@H]1CC1(Cl)Cl ZINC000796633394 629808424 /nfs/dbraw/zinc/80/84/24/629808424.db2.gz TWXSILHQQGKSRP-ZDUSSCGKSA-N 1 1 268.187 3.316 20 30 CGEDMO C#CC[N@H+](CCC(=O)C(C)(C)C)Cc1ccccc1 ZINC000796639953 629808989 /nfs/dbraw/zinc/80/89/89/629808989.db2.gz QFGSJFSGFBPJBE-UHFFFAOYSA-N 1 1 257.377 3.127 20 30 CGEDMO C=C(CC)Cn1cc(C[NH2+][C@@H]2CCCc3ccccc32)nn1 ZINC000864628506 629881172 /nfs/dbraw/zinc/88/11/72/629881172.db2.gz VPFNPVACVKUTTR-GOSISDBHSA-N 1 1 296.418 3.412 20 30 CGEDMO C[N@@H+](Cc1ccccc1)C1CCC(=NNC2CC2)CC1 ZINC000797785990 629982304 /nfs/dbraw/zinc/98/23/04/629982304.db2.gz BPBDWILCEDHMIL-UHFFFAOYSA-N 1 1 271.408 3.169 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000798963219 630129072 /nfs/dbraw/zinc/12/90/72/630129072.db2.gz AJUYXNQYWXVMJJ-MRXNPFEDSA-N 1 1 292.382 3.083 20 30 CGEDMO N#Cc1ccc(C[N@@H+](Cc2cnc(Cl)cn2)C2CC2)cc1 ZINC000799117843 630146886 /nfs/dbraw/zinc/14/68/86/630146886.db2.gz ZCECWBXEWOSWOH-UHFFFAOYSA-N 1 1 298.777 3.166 20 30 CGEDMO N#Cc1ccc(C[N@H+](Cc2cnc(Cl)cn2)C2CC2)cc1 ZINC000799117843 630146892 /nfs/dbraw/zinc/14/68/92/630146892.db2.gz ZCECWBXEWOSWOH-UHFFFAOYSA-N 1 1 298.777 3.166 20 30 CGEDMO CC(C)CCC(N)=[NH+]OCCCC1(C#N)CCOCC1 ZINC000799174097 630151908 /nfs/dbraw/zinc/15/19/08/630151908.db2.gz ABTJCIQWBQNYHJ-UHFFFAOYSA-N 1 1 281.400 3.022 20 30 CGEDMO C=CCC[C@H]([NH2+]Cc1cn(CCC)nn1)c1ccccc1 ZINC000865505614 630157148 /nfs/dbraw/zinc/15/71/48/630157148.db2.gz IELFBGXRBDXCAO-KRWDZBQOSA-N 1 1 284.407 3.485 20 30 CGEDMO COc1cc(C[N@@H+](C)CCc2ccccc2F)ccc1C#N ZINC000799730963 630227085 /nfs/dbraw/zinc/22/70/85/630227085.db2.gz IHHOATGPANZYDX-UHFFFAOYSA-N 1 1 298.361 3.380 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000801909928 630363968 /nfs/dbraw/zinc/36/39/68/630363968.db2.gz IMVOOOWHULBYEZ-LLVKDONJSA-N 1 1 286.297 3.066 20 30 CGEDMO COc1cccc(C[N@@H+](CCO[C@H](C)C#N)CC(C)C)c1 ZINC000801913418 630365105 /nfs/dbraw/zinc/36/51/05/630365105.db2.gz DPGZSBOQIGUPAE-OAHLLOKOSA-N 1 1 290.407 3.082 20 30 CGEDMO Cc1cccc([C@H]2CCC[N@@H+]2CCO[C@H](C)C#N)c1C ZINC000801922831 630366487 /nfs/dbraw/zinc/36/64/87/630366487.db2.gz PVQOZGXTRXBDSC-RHSMWYFYSA-N 1 1 272.392 3.369 20 30 CGEDMO CCC[N@@H+](CCO[C@@H](C)C#N)CCc1cccc(F)c1 ZINC000801922497 630366817 /nfs/dbraw/zinc/36/68/17/630366817.db2.gz WXTAIKUAEZQTIA-AWEZNQCLSA-N 1 1 278.371 3.009 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000801937856 630370590 /nfs/dbraw/zinc/37/05/90/630370590.db2.gz AOXFALIYHZTJOO-GUKXCFJFSA-N 1 1 270.376 3.093 20 30 CGEDMO CC(C)c1cccc2c1CC[N@@H+](CCO[C@@H](C)C#N)C2 ZINC000801948471 630372647 /nfs/dbraw/zinc/37/26/47/630372647.db2.gz BKQZUOWNDKWQKT-AWEZNQCLSA-N 1 1 272.392 3.097 20 30 CGEDMO C#CC[C@H](NC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000807163142 630584309 /nfs/dbraw/zinc/58/43/09/630584309.db2.gz KXSXXHGHLQMRQM-MSOLQXFVSA-N 1 1 298.430 3.132 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@H+]2CC[C@@H](SC)C2)c1O ZINC000840118450 630600056 /nfs/dbraw/zinc/60/00/56/630600056.db2.gz YCRDTNRWLIQTBQ-OAHLLOKOSA-N 1 1 293.432 3.067 20 30 CGEDMO C#Cc1ccc(CNCC2([NH+](C)C)CCCCC2)cc1 ZINC000809602621 630758766 /nfs/dbraw/zinc/75/87/66/630758766.db2.gz TXUZWBRFADYERY-UHFFFAOYSA-N 1 1 270.420 3.022 20 30 CGEDMO C#Cc1ccc(C[NH2+]C(C)(C)c2nccs2)cc1 ZINC000809618079 630763571 /nfs/dbraw/zinc/76/35/71/630763571.db2.gz GCHTWHBCXZUCTB-UHFFFAOYSA-N 1 1 256.374 3.149 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)cc1 ZINC000809632674 630769456 /nfs/dbraw/zinc/76/94/56/630769456.db2.gz VVCNFIJGJFHIIQ-FQEVSTJZSA-N 1 1 291.394 3.111 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)cc1 ZINC000809632674 630769459 /nfs/dbraw/zinc/76/94/59/630769459.db2.gz VVCNFIJGJFHIIQ-FQEVSTJZSA-N 1 1 291.394 3.111 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCCC[C@H](CCOC)C2)cc1 ZINC000809641782 630771834 /nfs/dbraw/zinc/77/18/34/630771834.db2.gz RSVBLWQENNFVHE-QGZVFWFLSA-N 1 1 271.404 3.307 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)cc1 ZINC000809656985 630776768 /nfs/dbraw/zinc/77/67/68/630776768.db2.gz QRYTVCKYMXNTNR-FZMZJTMJSA-N 1 1 267.294 3.441 20 30 CGEDMO C#CC[N@@H+](Cc1oc(C)nc1C)[C@H]1CCc2ccccc21 ZINC000809934775 630816876 /nfs/dbraw/zinc/81/68/76/630816876.db2.gz IBRNQBTYDXSULM-KRWDZBQOSA-N 1 1 280.371 3.414 20 30 CGEDMO C#CC[N@H+](Cc1oc(C)nc1C)[C@H]1CCc2ccccc21 ZINC000809934775 630816881 /nfs/dbraw/zinc/81/68/81/630816881.db2.gz IBRNQBTYDXSULM-KRWDZBQOSA-N 1 1 280.371 3.414 20 30 CGEDMO C[C@@H]1C(=NO[C@@H]2CCCCO2)CC[N@H+]1Cc1ccccc1 ZINC000811646174 631096170 /nfs/dbraw/zinc/09/61/70/631096170.db2.gz NRYNNJOLXHMNBE-RHSMWYFYSA-N 1 1 288.391 3.180 20 30 CGEDMO C[C@@H]1C(=NO[C@@H]2CCCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000811646174 631096174 /nfs/dbraw/zinc/09/61/74/631096174.db2.gz NRYNNJOLXHMNBE-RHSMWYFYSA-N 1 1 288.391 3.180 20 30 CGEDMO C[C@H]1C(=NOCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000811645710 631096687 /nfs/dbraw/zinc/09/66/87/631096687.db2.gz WGSJLMAZQKJLNO-NSHDSACASA-N 1 1 286.297 3.216 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@H+](CC)C[C@H](C)OC ZINC000812806946 631317165 /nfs/dbraw/zinc/31/71/65/631317165.db2.gz AMWSPHMLBDMBTE-ZDUSSCGKSA-N 1 1 295.810 3.209 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@@H+](CC)C[C@H](C)OC ZINC000812806946 631317175 /nfs/dbraw/zinc/31/71/75/631317175.db2.gz AMWSPHMLBDMBTE-ZDUSSCGKSA-N 1 1 295.810 3.209 20 30 CGEDMO CC[N@@H+](CC#Cc1ccccc1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812847904 631324649 /nfs/dbraw/zinc/32/46/49/631324649.db2.gz HHFSRCXDPQUFJK-YLJYHZDGSA-N 1 1 293.410 3.482 20 30 CGEDMO Brc1cnn([NH+]=C2CC[C@H]2C2CCC2)c1 ZINC000814884630 631665193 /nfs/dbraw/zinc/66/51/93/631665193.db2.gz QYEJPKGCSYRSFI-JTQLQIEISA-N 1 1 268.158 3.060 20 30 CGEDMO C[C@@H](C#N)C[N@H+](C)Cc1ccc2ccccc2c1O ZINC000816492743 631992708 /nfs/dbraw/zinc/99/27/08/631992708.db2.gz AWRQPJFQXGUOCR-LBPRGKRZSA-N 1 1 254.333 3.137 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C)Cc1ccc2ccccc2c1O ZINC000816492743 631992712 /nfs/dbraw/zinc/99/27/12/631992712.db2.gz AWRQPJFQXGUOCR-LBPRGKRZSA-N 1 1 254.333 3.137 20 30 CGEDMO COc1cc(Cl)cc(C[N@H+](C)CC(C)(C)C#N)c1O ZINC000816632093 632027273 /nfs/dbraw/zinc/02/72/73/632027273.db2.gz SSLOLSXDSUFMJT-UHFFFAOYSA-N 1 1 282.771 3.036 20 30 CGEDMO COc1cc(Cl)cc(C[N@@H+](C)CC(C)(C)C#N)c1O ZINC000816632093 632027280 /nfs/dbraw/zinc/02/72/80/632027280.db2.gz SSLOLSXDSUFMJT-UHFFFAOYSA-N 1 1 282.771 3.036 20 30 CGEDMO CCc1nocc1C[N@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000816652620 632039179 /nfs/dbraw/zinc/03/91/79/632039179.db2.gz OSJKUXQUNLGRDU-ZDUSSCGKSA-N 1 1 299.374 3.160 20 30 CGEDMO CCc1nocc1C[N@@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000816652620 632039186 /nfs/dbraw/zinc/03/91/86/632039186.db2.gz OSJKUXQUNLGRDU-ZDUSSCGKSA-N 1 1 299.374 3.160 20 30 CGEDMO C=C(Br)C[NH2+]Cc1ccccc1OC(F)F ZINC000105453842 635832391 /nfs/dbraw/zinc/83/23/91/635832391.db2.gz HHDLOBJFPYJIMC-UHFFFAOYSA-N 1 1 292.123 3.286 20 30 CGEDMO COc1cccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1O ZINC000822525639 632964316 /nfs/dbraw/zinc/96/43/16/632964316.db2.gz KTENETKWJKWJDB-ZDUSSCGKSA-N 1 1 296.370 3.465 20 30 CGEDMO C[N@H+]1CC[C@@H]2CN(c3cccc(C(F)F)c3C#N)CC[C@@H]21 ZINC000866206796 633029762 /nfs/dbraw/zinc/02/97/62/633029762.db2.gz FXIXLNFKNRYBGQ-RISCZKNCSA-N 1 1 291.345 3.026 20 30 CGEDMO C=C(C)C[NH+]1CCC(N[C@@H](c2ccccn2)C(C)C)CC1 ZINC000866261753 633050138 /nfs/dbraw/zinc/05/01/38/633050138.db2.gz ZDQNEPHLKFFKPA-GOSISDBHSA-N 1 1 287.451 3.409 20 30 CGEDMO CC(C)(Cc1ccccc1)c1noc([C@H]([NH3+])CCCC#N)n1 ZINC000823140464 633064908 /nfs/dbraw/zinc/06/49/08/633064908.db2.gz IHOSPUYUQVUFIP-CQSZACIVSA-N 1 1 298.390 3.284 20 30 CGEDMO C[C@@]1(C(F)(F)F)CC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000880003212 635896827 /nfs/dbraw/zinc/89/68/27/635896827.db2.gz BNUCNFWDLDMJPE-CQSZACIVSA-N 1 1 282.309 3.375 20 30 CGEDMO C[C@H]1C[N@@H+](CCCC(C)(C)C#N)CC[C@@H](C(F)(F)F)O1 ZINC000880059603 635905266 /nfs/dbraw/zinc/90/52/66/635905266.db2.gz JOXMMGJTGRFJCH-RYUDHWBXSA-N 1 1 292.345 3.358 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCCCCCCO ZINC000823617422 633127083 /nfs/dbraw/zinc/12/70/83/633127083.db2.gz IXFORJVXMHAHMZ-HNNXBMFYSA-N 1 1 274.408 3.494 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2nn(CC)nc2C)CCCC1(C)C ZINC000824296198 633225352 /nfs/dbraw/zinc/22/53/52/633225352.db2.gz BGXOPPIZDYRCMK-OAHLLOKOSA-N 1 1 276.428 3.173 20 30 CGEDMO CCC1([NH+]2CCCCC2)CCN(CCCCC#N)CC1 ZINC000880257256 635958333 /nfs/dbraw/zinc/95/83/33/635958333.db2.gz VICKNMUPRWHXEY-UHFFFAOYSA-N 1 1 277.456 3.411 20 30 CGEDMO CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000826861329 633437995 /nfs/dbraw/zinc/43/79/95/633437995.db2.gz DWIREGWWKQEKEB-NJELEJDNSA-N 1 1 283.419 3.391 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2cc(F)ncc2F)C1 ZINC000826947739 633445672 /nfs/dbraw/zinc/44/56/72/633445672.db2.gz SXYSEAYQOAEBIM-NSHDSACASA-N 1 1 252.308 3.148 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cc(F)ncc2F)C1 ZINC000826947739 633445675 /nfs/dbraw/zinc/44/56/75/633445675.db2.gz SXYSEAYQOAEBIM-NSHDSACASA-N 1 1 252.308 3.148 20 30 CGEDMO CC#CCCCC(=O)OCc1c(C)cc(C)[nH+]c1C ZINC000869473504 633449412 /nfs/dbraw/zinc/44/94/12/633449412.db2.gz DJVZTDSFOVLLRU-UHFFFAOYSA-N 1 1 259.349 3.244 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+](C)CC2=CCSC2)cc1 ZINC000827806937 633520417 /nfs/dbraw/zinc/52/04/17/633520417.db2.gz XVSMQMPYINCZFA-UHFFFAOYSA-N 1 1 287.428 3.194 20 30 CGEDMO CC[C@](C)([NH2+]Cc1ccncc1C#N)c1ccccc1 ZINC000828156243 633576493 /nfs/dbraw/zinc/57/64/93/633576493.db2.gz ZTGZFVBFUUHOOO-KRWDZBQOSA-N 1 1 265.360 3.368 20 30 CGEDMO CC(=O)Oc1ccc(C[N@H+](CCC#N)CC(C)(C)C)cc1 ZINC000123136561 633583566 /nfs/dbraw/zinc/58/35/66/633583566.db2.gz QMGSQGGIJFRUQC-UHFFFAOYSA-N 1 1 288.391 3.374 20 30 CGEDMO CC(=O)Oc1ccc(C[N@@H+](CCC#N)CC(C)(C)C)cc1 ZINC000123136561 633583573 /nfs/dbraw/zinc/58/35/73/633583573.db2.gz QMGSQGGIJFRUQC-UHFFFAOYSA-N 1 1 288.391 3.374 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@@]1(C)Cc1cccc(F)c1 ZINC000829226659 633714558 /nfs/dbraw/zinc/71/45/58/633714558.db2.gz SHSJQXDXFGASEY-YOEHRIQHSA-N 1 1 290.382 3.151 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(C)cc3)no2)C1 ZINC000829769050 633778551 /nfs/dbraw/zinc/77/85/51/633778551.db2.gz NKKFCXQWKNUCLG-OAHLLOKOSA-N 1 1 295.386 3.280 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000829778874 633783126 /nfs/dbraw/zinc/78/31/26/633783126.db2.gz JIYKDWFLSZDMRS-OAHLLOKOSA-N 1 1 264.372 3.470 20 30 CGEDMO N#CCOc1ccc(Cl)cc1CO[NH+]=C(N)C1CCC1 ZINC000871764966 633856717 /nfs/dbraw/zinc/85/67/17/633856717.db2.gz RFIPOZVAMOGTGB-UHFFFAOYSA-N 1 1 293.754 3.041 20 30 CGEDMO N#Cc1cc(Cl)ccc1CO[NH+]=C(N)C1CCC1 ZINC000871766677 633857374 /nfs/dbraw/zinc/85/73/74/633857374.db2.gz ZDRKMDOFLZABEH-UHFFFAOYSA-N 1 1 263.728 3.010 20 30 CGEDMO CCCCCCC[N@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000832020301 634022946 /nfs/dbraw/zinc/02/29/46/634022946.db2.gz HUHCHXVJWQFJJP-QGZVFWFLSA-N 1 1 259.459 3.190 20 30 CGEDMO C#CCCC[N@H+](CCOC)Cc1ccc(F)c(Cl)c1 ZINC000832535030 634071443 /nfs/dbraw/zinc/07/14/43/634071443.db2.gz VGSYFZLXBRJVNP-UHFFFAOYSA-N 1 1 283.774 3.341 20 30 CGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc([C@H]2CCc3ccccc32)no1 ZINC000872174053 634077190 /nfs/dbraw/zinc/07/71/90/634077190.db2.gz CFXIWCLGEPBSAX-QWHCGFSZSA-N 1 1 289.766 3.290 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](OC3CCC3)CC2)cc1 ZINC000872260133 634089916 /nfs/dbraw/zinc/08/99/16/634089916.db2.gz IRKLTQRMVGIUPR-GOSISDBHSA-N 1 1 284.403 3.482 20 30 CGEDMO CCn1ccnc1[C@@H](C)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000834640136 634205458 /nfs/dbraw/zinc/20/54/58/634205458.db2.gz HANSUPDYXPSWEF-ZIAGYGMSSA-N 1 1 298.390 3.217 20 30 CGEDMO C#CCOc1ccc([C@H](C)[NH2+][C@H](C)c2nccn2CC)cc1 ZINC000834896725 634272952 /nfs/dbraw/zinc/27/29/52/634272952.db2.gz WWZAHEPZXZGBCE-LSDHHAIUSA-N 1 1 297.402 3.327 20 30 CGEDMO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000835047025 634333142 /nfs/dbraw/zinc/33/31/42/634333142.db2.gz BSBGCFLBVFDAMF-JXTAAOLFSA-N 1 1 283.419 3.391 20 30 CGEDMO CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000835047025 634333146 /nfs/dbraw/zinc/33/31/46/634333146.db2.gz BSBGCFLBVFDAMF-JXTAAOLFSA-N 1 1 283.419 3.391 20 30 CGEDMO CC[C@H](CC#N)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835046662 634333380 /nfs/dbraw/zinc/33/33/80/634333380.db2.gz LVWGNZATQZFLEA-LLYBFZRZSA-N 1 1 257.381 3.048 20 30 CGEDMO CCCCCC[N@@H+](C)CC(=O)Nc1cccc(CC#N)c1 ZINC000837071900 634851218 /nfs/dbraw/zinc/85/12/18/634851218.db2.gz NOYNPBBQFIRIEH-UHFFFAOYSA-N 1 1 287.407 3.203 20 30 CGEDMO CC[N@@H+](CCC(F)(F)F)Cc1cc(C#N)ccc1N(C)C ZINC000876658023 634877015 /nfs/dbraw/zinc/87/70/15/634877015.db2.gz WMGVKMCIRZYXDL-UHFFFAOYSA-N 1 1 299.340 3.399 20 30 CGEDMO Cc1cccc(O)c1C[N@H+](CCC#N)CCC(C)C ZINC000876691771 634881769 /nfs/dbraw/zinc/88/17/69/634881769.db2.gz PNDDYGYGBAMIRN-UHFFFAOYSA-N 1 1 260.381 3.462 20 30 CGEDMO C#CCCCCCC[N@@H+](C)[C@H]1CCN(CC)[C@@H](C)C1 ZINC000876757740 634893709 /nfs/dbraw/zinc/89/37/09/634893709.db2.gz FTNVLQRIVNCAAL-IRXDYDNUSA-N 1 1 264.457 3.375 20 30 CGEDMO C#CCCCCCC[N@H+](C)[C@H]1CCN(CC)[C@@H](C)C1 ZINC000876757740 634893710 /nfs/dbraw/zinc/89/37/10/634893710.db2.gz FTNVLQRIVNCAAL-IRXDYDNUSA-N 1 1 264.457 3.375 20 30 CGEDMO N#Cc1cnc(Cl)c(C[NH2+][C@@H](c2cccnc2)C2CC2)c1 ZINC000877123616 634991310 /nfs/dbraw/zinc/99/13/10/634991310.db2.gz MNRKUUNHAALGLA-OAHLLOKOSA-N 1 1 298.777 3.243 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cnc1Cl)C[C@H]1CC=CCC1 ZINC000877307734 635022584 /nfs/dbraw/zinc/02/25/84/635022584.db2.gz LEXNCBYAUSGIQS-LBPRGKRZSA-N 1 1 275.783 3.395 20 30 CGEDMO C=CC[N@H+](Cc1ccnc2c(C(=O)OC)cccc12)C1CC1 ZINC000877328576 635028028 /nfs/dbraw/zinc/02/80/28/635028028.db2.gz ILBWBPAUFVMCOL-UHFFFAOYSA-N 1 1 296.370 3.172 20 30 CGEDMO C#CC[N@H+](Cc1cc2c(ccnc2Cl)o1)C1CC1 ZINC000877371447 635031235 /nfs/dbraw/zinc/03/12/35/635031235.db2.gz HFNFBCWDEDHATG-UHFFFAOYSA-N 1 1 260.724 3.079 20 30 CGEDMO C#CCCCCCC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000877516083 635067539 /nfs/dbraw/zinc/06/75/39/635067539.db2.gz BNYALJWHNZDJRM-ZIAGYGMSSA-N 1 1 291.357 3.063 20 30 CGEDMO C#CCCCCCC[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000877541200 635079162 /nfs/dbraw/zinc/07/91/62/635079162.db2.gz DMSQUMSURSCKPO-HNNXBMFYSA-N 1 1 279.815 3.367 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(Cl)nn1 ZINC000877599174 635106553 /nfs/dbraw/zinc/10/65/53/635106553.db2.gz RGBBPCNYSBGOQT-LLVKDONJSA-N 1 1 286.766 3.195 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(Cl)nn1 ZINC000877599174 635106558 /nfs/dbraw/zinc/10/65/58/635106558.db2.gz RGBBPCNYSBGOQT-LLVKDONJSA-N 1 1 286.766 3.195 20 30 CGEDMO CN(C)c1ccc(F)cc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000877622305 635117596 /nfs/dbraw/zinc/11/75/96/635117596.db2.gz KNCGVANVGDOWFW-ZDUSSCGKSA-N 1 1 275.371 3.017 20 30 CGEDMO COc1ccccc1[C@H]1C[N@H+](C[C@H](C)CCC#N)CCO1 ZINC000877755477 635184043 /nfs/dbraw/zinc/18/40/43/635184043.db2.gz KYOXNTUXFCIQGN-RHSMWYFYSA-N 1 1 288.391 3.008 20 30 CGEDMO COc1ccccc1[C@H]1C[N@@H+](C[C@H](C)CCC#N)CCO1 ZINC000877755477 635184046 /nfs/dbraw/zinc/18/40/46/635184046.db2.gz KYOXNTUXFCIQGN-RHSMWYFYSA-N 1 1 288.391 3.008 20 30 CGEDMO C[C@H](CC#N)NN=C1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000841633093 635202698 /nfs/dbraw/zinc/20/26/98/635202698.db2.gz NBJFZEGISHKWNB-KDOFPFPSSA-N 1 1 296.418 3.234 20 30 CGEDMO Cc1csc([C@@H]2CC[N@H+](C[C@H](C)CCC#N)C2)n1 ZINC000877814485 635223462 /nfs/dbraw/zinc/22/34/62/635223462.db2.gz ROFKGYBHUZUKOW-DGCLKSJQSA-N 1 1 263.410 3.181 20 30 CGEDMO C#CC[N@H+](C[C@H]1C[C@@H](OC)C1)[C@H]1CCc2ccccc21 ZINC000877991490 635310100 /nfs/dbraw/zinc/31/01/00/635310100.db2.gz QQFKLMPVRHRKLZ-LESCRADOSA-N 1 1 269.388 3.034 20 30 CGEDMO C=CC[C@H](C)[NH+]1CCN(CC2CCCCC2)CC1 ZINC000878001498 635312019 /nfs/dbraw/zinc/31/20/19/635312019.db2.gz RYRDCNDEOPGHOS-HNNXBMFYSA-N 1 1 250.430 3.149 20 30 CGEDMO CC[C@@H]1CCC[N@H+]1CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878046370 635337379 /nfs/dbraw/zinc/33/73/79/635337379.db2.gz YBNCDQUGGJHEMX-MSOLQXFVSA-N 1 1 284.403 3.301 20 30 CGEDMO C=CC[C@@H](C)[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000878151055 635379716 /nfs/dbraw/zinc/37/97/16/635379716.db2.gz UEAZQNIRTKIYBY-SJLPKXTDSA-N 1 1 272.436 3.405 20 30 CGEDMO C=CC[C@@H](C)[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000878151055 635379724 /nfs/dbraw/zinc/37/97/24/635379724.db2.gz UEAZQNIRTKIYBY-SJLPKXTDSA-N 1 1 272.436 3.405 20 30 CGEDMO CC[N@H+](CCC#N)C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000878159212 635385508 /nfs/dbraw/zinc/38/55/08/635385508.db2.gz GBSPFXUYBURWOV-JKSUJKDBSA-N 1 1 258.365 3.142 20 30 CGEDMO CC[N@@H+](CCC#N)C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000878159212 635385514 /nfs/dbraw/zinc/38/55/14/635385514.db2.gz GBSPFXUYBURWOV-JKSUJKDBSA-N 1 1 258.365 3.142 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000126961543 635416554 /nfs/dbraw/zinc/41/65/54/635416554.db2.gz NGACVJBOPZHQMI-QGZVFWFLSA-N 1 1 298.411 3.341 20 30 CGEDMO C=CCc1cc(C[N@@H+](CC)CCSC)c(O)c(OC)c1 ZINC000842644168 635427027 /nfs/dbraw/zinc/42/70/27/635427027.db2.gz KBPLRUMWMNOTAZ-UHFFFAOYSA-N 1 1 295.448 3.314 20 30 CGEDMO C#CCCCCC[NH+]1CCC(c2cc(C)[nH]n2)CC1 ZINC000878340802 635466596 /nfs/dbraw/zinc/46/65/96/635466596.db2.gz YSHYCWSQQHDUOT-UHFFFAOYSA-N 1 1 259.397 3.091 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC000878405001 635491727 /nfs/dbraw/zinc/49/17/27/635491727.db2.gz BDMYBBKHZRKIRR-QWHCGFSZSA-N 1 1 256.340 3.438 20 30 CGEDMO C#CCCCCC[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000878637816 635584674 /nfs/dbraw/zinc/58/46/74/635584674.db2.gz VUYUGMXJRVXNJC-FQEVSTJZSA-N 1 1 299.458 3.497 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCc2nccc(Br)c2C1 ZINC000878768174 635625822 /nfs/dbraw/zinc/62/58/22/635625822.db2.gz TXEOOSVSWDCXFC-SNVBAGLBSA-N 1 1 281.197 3.167 20 30 CGEDMO CC(C)[C@H]1[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CC12CC=CC2 ZINC000843297159 635641305 /nfs/dbraw/zinc/64/13/05/635641305.db2.gz RRMDVQCSJTZSGU-ZWKOTPCHSA-N 1 1 296.414 3.268 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000878903556 635654772 /nfs/dbraw/zinc/65/47/72/635654772.db2.gz GEXCYJMTPGGRSW-HIFRSBDPSA-N 1 1 267.376 3.384 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000843423655 635666707 /nfs/dbraw/zinc/66/67/07/635666707.db2.gz HNZNTPTWPLTGMO-NSHDSACASA-N 1 1 267.294 3.339 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2ccnn2-c2ccccc2)C1 ZINC000843424409 635668173 /nfs/dbraw/zinc/66/81/73/635668173.db2.gz ZQYBMBMIYPQIPI-INIZCTEOSA-N 1 1 279.387 3.108 20 30 CGEDMO O[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC000879246796 635735417 /nfs/dbraw/zinc/73/54/17/635735417.db2.gz XVBJMLHYIIRIKB-WOJBJXKFSA-N 1 1 291.394 3.236 20 30 CGEDMO C[N@@H+](CC[C@@H]1CCCC1(F)F)[C@H]1CCC[C@H]1C#N ZINC000879309499 635752291 /nfs/dbraw/zinc/75/22/91/635752291.db2.gz NUSWLOSIBOWSID-AVGNSLFASA-N 1 1 256.340 3.436 20 30 CGEDMO C[C@]1(Cc2ccc(F)c(F)c2)CCC[N@@H+]1CCC#N ZINC000879452403 635789574 /nfs/dbraw/zinc/78/95/74/635789574.db2.gz PVBAUJBCPIOSGR-OAHLLOKOSA-N 1 1 264.319 3.275 20 30 CGEDMO C[C@]1(Cc2ccc(F)c(F)c2)CCC[N@H+]1CCC#N ZINC000879452403 635789579 /nfs/dbraw/zinc/78/95/79/635789579.db2.gz PVBAUJBCPIOSGR-OAHLLOKOSA-N 1 1 264.319 3.275 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879564629 635810667 /nfs/dbraw/zinc/81/06/67/635810667.db2.gz IBWMXRCLPREISP-JSGCOSHPSA-N 1 1 292.835 3.397 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879564629 635810679 /nfs/dbraw/zinc/81/06/79/635810679.db2.gz IBWMXRCLPREISP-JSGCOSHPSA-N 1 1 292.835 3.397 20 30 CGEDMO N#CCC[C@@H](C#N)C[N@H+]1CC[C@@]2(CCc3ccccc32)C1 ZINC000879994255 635891641 /nfs/dbraw/zinc/89/16/41/635891641.db2.gz AJTCXLGSFMIUJC-YJBOKZPZSA-N 1 1 279.387 3.020 20 30 CGEDMO C[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000880000400 635895453 /nfs/dbraw/zinc/89/54/53/635895453.db2.gz HKGHVUNHHHMFNU-AWEZNQCLSA-N 1 1 298.308 3.363 20 30 CGEDMO C=C(Br)C[N@H+]1CC[C@H](c2nc(C)cs2)C1 ZINC000880008418 635897131 /nfs/dbraw/zinc/89/71/31/635897131.db2.gz ASYSZFKQZTVHME-JTQLQIEISA-N 1 1 287.226 3.149 20 30 CGEDMO C=C(Br)C[N@@H+]1CC[C@H](c2nc(C)cs2)C1 ZINC000880008418 635897133 /nfs/dbraw/zinc/89/71/33/635897133.db2.gz ASYSZFKQZTVHME-JTQLQIEISA-N 1 1 287.226 3.149 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844436192 635899951 /nfs/dbraw/zinc/89/99/51/635899951.db2.gz FXUOWIQXPDUZOJ-AWEZNQCLSA-N 1 1 280.293 3.319 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844436192 635899952 /nfs/dbraw/zinc/89/99/52/635899952.db2.gz FXUOWIQXPDUZOJ-AWEZNQCLSA-N 1 1 280.293 3.319 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844437994 635901248 /nfs/dbraw/zinc/90/12/48/635901248.db2.gz AAOHHEFTQJHASX-OAHLLOKOSA-N 1 1 292.329 3.188 20 30 CGEDMO COC(=O)CC[C@@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000880041492 635902873 /nfs/dbraw/zinc/90/28/73/635902873.db2.gz LNUCTUCSLAJJCL-HNNXBMFYSA-N 1 1 294.439 3.372 20 30 CGEDMO CC(C)(O)[C@@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000880145589 635924953 /nfs/dbraw/zinc/92/49/53/635924953.db2.gz OSGPTACLPAUDPL-OAHLLOKOSA-N 1 1 286.419 3.081 20 30 CGEDMO C[C@H]1c2sccc2CC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000880378722 635989424 /nfs/dbraw/zinc/98/94/24/635989424.db2.gz YWIAUCZAXMONTD-LRDDRELGSA-N 1 1 298.411 3.272 20 30 CGEDMO CC(C)C(C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1)C(C)C ZINC000846008669 636128388 /nfs/dbraw/zinc/12/83/88/636128388.db2.gz WVNYTHZUHPDBLD-GOSISDBHSA-N 1 1 288.435 3.452 20 30 CGEDMO C=C[C@@H](C)ONC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000846549926 636200205 /nfs/dbraw/zinc/20/02/05/636200205.db2.gz KYRBNUXHZYWSRD-CQSZACIVSA-N 1 1 290.407 3.153 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000847018472 636311355 /nfs/dbraw/zinc/31/13/55/636311355.db2.gz KFIXSZYGULEETD-CYBMUJFWSA-N 1 1 290.794 3.014 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(OC)ccc2Cl)C1 ZINC000847020051 636313084 /nfs/dbraw/zinc/31/30/84/636313084.db2.gz VYHYDKZFHISYAY-LBPRGKRZSA-N 1 1 263.768 3.194 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@H](CCOC)c2ccccc2)C1 ZINC000847022038 636313849 /nfs/dbraw/zinc/31/38/49/636313849.db2.gz RLSHSYUVEGPFHI-DOTOQJQBSA-N 1 1 257.377 3.109 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000847023065 636314828 /nfs/dbraw/zinc/31/48/28/636314828.db2.gz APIWOESYCIDVQR-ZDUSSCGKSA-N 1 1 288.778 3.088 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000847023065 636314832 /nfs/dbraw/zinc/31/48/32/636314832.db2.gz APIWOESYCIDVQR-ZDUSSCGKSA-N 1 1 288.778 3.088 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000847024206 636314844 /nfs/dbraw/zinc/31/48/44/636314844.db2.gz PXIWEZRTFOAWKP-CYBMUJFWSA-N 1 1 284.334 3.326 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000847024800 636315484 /nfs/dbraw/zinc/31/54/84/636315484.db2.gz LFUZXGXXGDYJQK-NSHDSACASA-N 1 1 278.739 3.093 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000847024800 636315487 /nfs/dbraw/zinc/31/54/87/636315487.db2.gz LFUZXGXXGDYJQK-NSHDSACASA-N 1 1 278.739 3.093 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000847027778 636316594 /nfs/dbraw/zinc/31/65/94/636316594.db2.gz WWKMZKHJNOQCMR-ZDUSSCGKSA-N 1 1 284.334 3.326 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000847027778 636316597 /nfs/dbraw/zinc/31/65/97/636316597.db2.gz WWKMZKHJNOQCMR-ZDUSSCGKSA-N 1 1 284.334 3.326 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000847025272 636317743 /nfs/dbraw/zinc/31/77/43/636317743.db2.gz VPXXLMGCJJRHRH-GFCCVEGCSA-N 1 1 272.373 3.248 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000847025272 636317744 /nfs/dbraw/zinc/31/77/44/636317744.db2.gz VPXXLMGCJJRHRH-GFCCVEGCSA-N 1 1 272.373 3.248 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000848493366 636580637 /nfs/dbraw/zinc/58/06/37/636580637.db2.gz NJXWGLMYEALJAI-AWEZNQCLSA-N 1 1 265.356 3.391 20 30 CGEDMO C=CCCCCC[C@@H](C)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000848560199 636605302 /nfs/dbraw/zinc/60/53/02/636605302.db2.gz AACONJTTWIVIQX-CYBMUJFWSA-N 1 1 279.432 3.043 20 30 CGEDMO Cc1nn(-c2ccc(C)cc2)cc1C[NH+]1CCC(C#N)CC1 ZINC000848885818 636673473 /nfs/dbraw/zinc/67/34/73/636673473.db2.gz SXLMUTBZJSBGHH-UHFFFAOYSA-N 1 1 294.402 3.225 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000848923155 636694590 /nfs/dbraw/zinc/69/45/90/636694590.db2.gz ACNBVCXDWHHKPE-BAAYTWLHSA-N 1 1 284.359 3.343 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000848923948 636695126 /nfs/dbraw/zinc/69/51/26/636695126.db2.gz LPIXNOFIWHSRCV-GFCCVEGCSA-N 1 1 260.406 3.256 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccnn2-c2ccccc2C)C1 ZINC000848923739 636695622 /nfs/dbraw/zinc/69/56/22/636695622.db2.gz IYZLUBNIHIGGJI-INIZCTEOSA-N 1 1 279.387 3.026 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000848923722 636695703 /nfs/dbraw/zinc/69/57/03/636695703.db2.gz IXPQMTBLEDJWMX-GFCCVEGCSA-N 1 1 263.768 3.199 20 30 CGEDMO N#CC1(C[NH+]=C(Nc2ccccc2)N2CCCCC2)CC1 ZINC000849025932 636721250 /nfs/dbraw/zinc/72/12/50/636721250.db2.gz OQNCLRMMYKIDOO-UHFFFAOYSA-N 1 1 282.391 3.244 20 30 CGEDMO CN(C)c1ccc(C[NH2+]CC2(C#N)CCCCC2)cc1F ZINC000850390434 637044487 /nfs/dbraw/zinc/04/44/87/637044487.db2.gz HQAGWJHFGMOXNG-UHFFFAOYSA-N 1 1 289.398 3.455 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C(=O)OC)cc1)C1CCCCC1 ZINC000109357227 637074405 /nfs/dbraw/zinc/07/44/05/637074405.db2.gz NEEQMIYCFMHEKY-UHFFFAOYSA-N 1 1 285.387 3.241 20 30 CGEDMO CCCCCCC[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000135536339 637141807 /nfs/dbraw/zinc/14/18/07/637141807.db2.gz ULHWDVADEHLEDA-UONOGXRCSA-N 1 1 257.443 3.163 20 30 CGEDMO C[C@@H](CC(C)(C)C#N)OC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000851203510 637301620 /nfs/dbraw/zinc/30/16/20/637301620.db2.gz BDTMWLNJGBWUCY-BLLLJJGKSA-N 1 1 298.402 3.070 20 30 CGEDMO CCC[N@H+](Cc1ccccc1)C[C@H](O)CC1(C#N)CCC1 ZINC000885930831 637317447 /nfs/dbraw/zinc/31/74/47/637317447.db2.gz JANNKWABNUDAFW-QGZVFWFLSA-N 1 1 286.419 3.343 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@H]1CCC2(CCC2)CO1 ZINC000885937695 637320652 /nfs/dbraw/zinc/32/06/52/637320652.db2.gz HRIYTHKXMYXLSM-QGZVFWFLSA-N 1 1 284.403 3.339 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H]1C[C@]12CCOC2 ZINC000885954005 637329293 /nfs/dbraw/zinc/32/92/93/637329293.db2.gz LCTAGOCNOQNHSB-MSOLQXFVSA-N 1 1 284.403 3.197 20 30 CGEDMO Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000885962858 637334266 /nfs/dbraw/zinc/33/42/66/637334266.db2.gz HRXACROYGZDQID-HZPDHXFCSA-N 1 1 286.419 3.433 20 30 CGEDMO Cc1ccccc1C[N@@H+](C[C@H](O)CC1(C#N)CCC1)C1CC1 ZINC000885967251 637336853 /nfs/dbraw/zinc/33/68/53/637336853.db2.gz KTONHOHGCLMWTD-GOSISDBHSA-N 1 1 298.430 3.404 20 30 CGEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@H]1C[C@]12CCOC2 ZINC000885969136 637337739 /nfs/dbraw/zinc/33/77/39/637337739.db2.gz LFSVVTZPROMGLC-MSOLQXFVSA-N 1 1 284.403 3.195 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1ccccc1OCC(F)F ZINC000885992800 637346712 /nfs/dbraw/zinc/34/67/12/637346712.db2.gz QYMFYBQQTAFOKA-UHFFFAOYSA-N 1 1 261.699 3.173 20 30 CGEDMO C[C@@H]1c2ccccc2C[N@@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886030751 637374554 /nfs/dbraw/zinc/37/45/54/637374554.db2.gz TWCPXLCQZDOYGE-HIFRSBDPSA-N 1 1 270.376 3.008 20 30 CGEDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886044182 637383267 /nfs/dbraw/zinc/38/32/67/637383267.db2.gz SOJLUNBJFKVCTA-XHSDSOJGSA-N 1 1 278.440 3.332 20 30 CGEDMO C[C@H](c1ccco1)[N@@H+](C[C@H](O)CC1(C#N)CCC1)C1CC1 ZINC000886077380 637401854 /nfs/dbraw/zinc/40/18/54/637401854.db2.gz YTGMAZPWHNEUTB-UKRRQHHQSA-N 1 1 288.391 3.250 20 30 CGEDMO C/C(=C\c1ccccc1)C[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000886171467 637446449 /nfs/dbraw/zinc/44/64/49/637446449.db2.gz HNFMIMWXRRKROC-FYXHJSOBSA-N 1 1 298.430 3.467 20 30 CGEDMO C#CC[N@H+](CCO[C@H]1CC1(F)F)[C@@H]1CCc2ccccc21 ZINC000851735649 637483800 /nfs/dbraw/zinc/48/38/00/637483800.db2.gz HNJWMTANDPWICT-CVEARBPZSA-N 1 1 291.341 3.033 20 30 CGEDMO C[C@]1(C2CCCCC2)CC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886312288 637495816 /nfs/dbraw/zinc/49/58/16/637495816.db2.gz ZLSLRNANXFBMMU-DLBZAZTESA-N 1 1 290.451 3.476 20 30 CGEDMO C#CC[C@H]1CC[N@H+](CC(=O)Nc2cccc3ccccc32)C1 ZINC000886359769 637512224 /nfs/dbraw/zinc/51/22/24/637512224.db2.gz JQRJYFWJBPCYSF-HNNXBMFYSA-N 1 1 292.382 3.124 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cnc3ccc(C)cc3c2)C1 ZINC000886365593 637516140 /nfs/dbraw/zinc/51/61/40/637516140.db2.gz LUCKMWHHMNRPNY-HNNXBMFYSA-N 1 1 264.372 3.388 20 30 CGEDMO C#CC[C@@H]([NH2+]Cc1cc(C2CC2)no1)c1ccccc1 ZINC000851902754 637538223 /nfs/dbraw/zinc/53/82/23/637538223.db2.gz SPRBCCMDKFTUMI-MRXNPFEDSA-N 1 1 266.344 3.406 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cccc(F)n1 ZINC000851912459 637544142 /nfs/dbraw/zinc/54/41/42/637544142.db2.gz PIOLKFQSCWAHDL-UHFFFAOYSA-N 1 1 260.312 3.044 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+]Cc1cc(-c2cccs2)on1 ZINC000852096823 637590911 /nfs/dbraw/zinc/59/09/11/637590911.db2.gz GDWFIBTUFLCBHI-AWEZNQCLSA-N 1 1 260.362 3.295 20 30 CGEDMO CC(C)[C@@H]([NH2+]CC1(C#N)CCCCC1)c1cnn(C)c1 ZINC000886637924 637622708 /nfs/dbraw/zinc/62/27/08/637622708.db2.gz HZSLDILKEQNKBS-OAHLLOKOSA-N 1 1 274.412 3.181 20 30 CGEDMO Cc1cccc(C)c1[C@@H]1CCC[N@@H+]1CCO[C@H](C)C#N ZINC000852312593 637632526 /nfs/dbraw/zinc/63/25/26/637632526.db2.gz OFPQXZXPZXJDFE-CVEARBPZSA-N 1 1 272.392 3.369 20 30 CGEDMO C=C(C)C[N@@H+]1Cc2ccc(NC(=O)C(F)(F)F)cc2C1 ZINC000852330783 637636543 /nfs/dbraw/zinc/63/65/43/637636543.db2.gz HTEMYLFIYFPEGH-UHFFFAOYSA-N 1 1 284.281 3.079 20 30 CGEDMO C=C(C)C[N@H+]1Cc2ccc(NC(=O)C(F)(F)F)cc2C1 ZINC000852330783 637636547 /nfs/dbraw/zinc/63/65/47/637636547.db2.gz HTEMYLFIYFPEGH-UHFFFAOYSA-N 1 1 284.281 3.079 20 30 CGEDMO C=CC[N@H+](Cc1cc(Cl)nc(Cl)c1)[C@H](C)COC ZINC000852357676 637641882 /nfs/dbraw/zinc/64/18/82/637641882.db2.gz HBBWXHRPVNXJQV-SNVBAGLBSA-N 1 1 289.206 3.411 20 30 CGEDMO C=CC[N@@H+](Cc1cc(Cl)nc(Cl)c1)[C@H](C)COC ZINC000852357676 637641886 /nfs/dbraw/zinc/64/18/86/637641886.db2.gz HBBWXHRPVNXJQV-SNVBAGLBSA-N 1 1 289.206 3.411 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@@H](c3ncccn3)C2)ccc1C#N ZINC000886686594 637651697 /nfs/dbraw/zinc/65/16/97/637651697.db2.gz UJWTVWAIBQUDDC-QGZVFWFLSA-N 1 1 292.386 3.036 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886686787 637652137 /nfs/dbraw/zinc/65/21/37/637652137.db2.gz XPNVOTQNEOKBOT-RHSMWYFYSA-N 1 1 292.386 3.289 20 30 CGEDMO C=C(Cl)C[N@H+](CC)CCOc1ccccc1OC ZINC000852727737 637700709 /nfs/dbraw/zinc/70/07/09/637700709.db2.gz QFZKKAOLHLTPHJ-UHFFFAOYSA-N 1 1 269.772 3.148 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)CCOc1ccccc1OC ZINC000852727737 637700716 /nfs/dbraw/zinc/70/07/16/637700716.db2.gz QFZKKAOLHLTPHJ-UHFFFAOYSA-N 1 1 269.772 3.148 20 30 CGEDMO CC(C)[C@H](C[NH2+][C@@H](C)CC(C)(C)C#N)N1CCCC1 ZINC000924634646 638380852 /nfs/dbraw/zinc/38/08/52/638380852.db2.gz ZTYVXXIQSXXBRG-GJZGRUSLSA-N 1 1 265.445 3.025 20 30 CGEDMO C=C1CCN(C(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000857117540 638458937 /nfs/dbraw/zinc/45/89/37/638458937.db2.gz LQOCIDJSNWSTLA-SFHVURJKSA-N 1 1 298.430 3.288 20 30 CGEDMO C=CCC[C@@H](CCC)[N@@H+]1CCc2sc(CN)nc2C1 ZINC000925750556 638596684 /nfs/dbraw/zinc/59/66/84/638596684.db2.gz JFWZPHCQWQWGRV-GFCCVEGCSA-N 1 1 279.453 3.095 20 30 CGEDMO C=CCC[C@@H](CCC)[N@H+]1CCc2sc(CN)nc2C1 ZINC000925750556 638596685 /nfs/dbraw/zinc/59/66/85/638596685.db2.gz JFWZPHCQWQWGRV-GFCCVEGCSA-N 1 1 279.453 3.095 20 30 CGEDMO CCC1([NH3+])CCN([C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000925755864 638598264 /nfs/dbraw/zinc/59/82/64/638598264.db2.gz IBJHPKRFRAQAOT-QGZVFWFLSA-N 1 1 283.419 3.139 20 30 CGEDMO CCC[N@H+](CC)C[C@@H](C)N[C@H](C)CC(C)(C)C#N ZINC000926458456 638773716 /nfs/dbraw/zinc/77/37/16/638773716.db2.gz NXJUQIOHABKQDN-ZIAGYGMSSA-N 1 1 253.434 3.025 20 30 CGEDMO CCC[N@@H+](CC)C[C@@H](C)N[C@H](C)CC(C)(C)C#N ZINC000926458456 638773717 /nfs/dbraw/zinc/77/37/17/638773717.db2.gz NXJUQIOHABKQDN-ZIAGYGMSSA-N 1 1 253.434 3.025 20 30 CGEDMO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1ncc(Cl)s1 ZINC000926828148 638815763 /nfs/dbraw/zinc/81/57/63/638815763.db2.gz CBWPGUQAUZHLDM-QMMMGPOBSA-N 1 1 257.790 3.214 20 30 CGEDMO C=C1CCC(C[NH2+][C@H]2CCN(CC)C[C@H]2C)CC1 ZINC000926927168 638826861 /nfs/dbraw/zinc/82/68/61/638826861.db2.gz OXUGYNLELWCOQW-ZBFHGGJFSA-N 1 1 250.430 3.053 20 30 CGEDMO C=CCn1ncc2ccc(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)cc21 ZINC000927067873 638837686 /nfs/dbraw/zinc/83/76/86/638837686.db2.gz RCZGPRTZXKPPRB-DLBZAZTESA-N 1 1 296.418 3.261 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000034673881 638865785 /nfs/dbraw/zinc/86/57/85/638865785.db2.gz PWOQIQQIIVDSIT-AWEZNQCLSA-N 1 1 258.365 3.202 20 30 CGEDMO C#CCCCCC[N@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000929069410 638897583 /nfs/dbraw/zinc/89/75/83/638897583.db2.gz KZAGSOVBDIFFTC-UHFFFAOYSA-N 1 1 293.414 3.424 20 30 CGEDMO C=CC[N@@H+](Cc1cnc(CC)o1)Cc1ccccc1 ZINC000929162167 638903931 /nfs/dbraw/zinc/90/39/31/638903931.db2.gz IQHSLDVLSAOTNJ-UHFFFAOYSA-N 1 1 256.349 3.425 20 30 CGEDMO C=CC[N@H+](Cc1cnc(CC)o1)Cc1ccccc1 ZINC000929162167 638903934 /nfs/dbraw/zinc/90/39/34/638903934.db2.gz IQHSLDVLSAOTNJ-UHFFFAOYSA-N 1 1 256.349 3.425 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CCCC2(CCC2)O1 ZINC000929162250 638904114 /nfs/dbraw/zinc/90/41/14/638904114.db2.gz JPWSVUAYGNWFFT-KRWDZBQOSA-N 1 1 284.403 3.482 20 30 CGEDMO COc1ccccc1C[N@H+](Cc1cncc(C#N)c1)C1CC1 ZINC000929290931 638916245 /nfs/dbraw/zinc/91/62/45/638916245.db2.gz HQLDBIRMTUXKFJ-UHFFFAOYSA-N 1 1 293.370 3.126 20 30 CGEDMO COc1ccccc1C[N@@H+](Cc1cncc(C#N)c1)C1CC1 ZINC000929290931 638916246 /nfs/dbraw/zinc/91/62/46/638916246.db2.gz HQLDBIRMTUXKFJ-UHFFFAOYSA-N 1 1 293.370 3.126 20 30 CGEDMO CCC[N@@H+](C[C@H](O)CC#N)[C@H](C)c1cc2ccccc2o1 ZINC000929332752 638919481 /nfs/dbraw/zinc/91/94/81/638919481.db2.gz JSXSAIBWTQJOPH-UKRRQHHQSA-N 1 1 286.375 3.480 20 30 CGEDMO COC/C(C)=C\C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000929379720 638922613 /nfs/dbraw/zinc/92/26/13/638922613.db2.gz GQCBIGIVWQQZBE-DHDCSXOGSA-N 1 1 272.392 3.361 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000929679040 638940491 /nfs/dbraw/zinc/94/04/91/638940491.db2.gz QJEXNVDUKSFNDD-DOTOQJQBSA-N 1 1 286.419 3.104 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000929679040 638940494 /nfs/dbraw/zinc/94/04/94/638940494.db2.gz QJEXNVDUKSFNDD-DOTOQJQBSA-N 1 1 286.419 3.104 20 30 CGEDMO CCC[N@@H+](Cc1cncc(C#N)c1)Cc1ccccc1O ZINC000929753152 638946925 /nfs/dbraw/zinc/94/69/25/638946925.db2.gz MPJCKDWWGGCKDH-UHFFFAOYSA-N 1 1 281.359 3.071 20 30 CGEDMO CC[N@@H+]1CC[C@@H](N(C)Cc2c(C)cc(C#N)cc2C)C[C@H]1C ZINC000929780066 638950125 /nfs/dbraw/zinc/95/01/25/638950125.db2.gz KBKIYNBCSOTTIW-SJLPKXTDSA-N 1 1 299.462 3.480 20 30 CGEDMO CC[N@H+]1CC[C@@H](N(C)Cc2c(C)cc(C#N)cc2C)C[C@H]1C ZINC000929780066 638950126 /nfs/dbraw/zinc/95/01/26/638950126.db2.gz KBKIYNBCSOTTIW-SJLPKXTDSA-N 1 1 299.462 3.480 20 30 CGEDMO CCN1CC[C@@H]([N@H+](C)Cc2c(C)cc(C#N)cc2C)C[C@H]1C ZINC000929780066 638950128 /nfs/dbraw/zinc/95/01/28/638950128.db2.gz KBKIYNBCSOTTIW-SJLPKXTDSA-N 1 1 299.462 3.480 20 30 CGEDMO CCN1CC[C@@H]([N@@H+](C)Cc2c(C)cc(C#N)cc2C)C[C@H]1C ZINC000929780066 638950130 /nfs/dbraw/zinc/95/01/30/638950130.db2.gz KBKIYNBCSOTTIW-SJLPKXTDSA-N 1 1 299.462 3.480 20 30 CGEDMO CCOC[C@@H]1CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000929778959 638950657 /nfs/dbraw/zinc/95/06/57/638950657.db2.gz LFMGDRVOUWOIMF-OAHLLOKOSA-N 1 1 264.413 3.209 20 30 CGEDMO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1cncc(C#N)c1 ZINC000929812482 638953568 /nfs/dbraw/zinc/95/35/68/638953568.db2.gz LGMQYBOCNLYVNK-KSSFIOAISA-N 1 1 277.371 3.331 20 30 CGEDMO CSC[C@@H]1CCC[N@H+]1CC1CCC(C#N)CC1 ZINC000929852025 638957037 /nfs/dbraw/zinc/95/70/37/638957037.db2.gz BNSRAEFLGYTXOD-RUXDESIVSA-N 1 1 252.427 3.144 20 30 CGEDMO Cc1cccc(C[N@@H+](C)CC2CCC(C#N)CC2)n1 ZINC000929993425 638966870 /nfs/dbraw/zinc/96/68/70/638966870.db2.gz JWMUCARGORAKRG-UHFFFAOYSA-N 1 1 257.381 3.152 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCOc3cccc(F)c3C2)CC1 ZINC000930348845 638992467 /nfs/dbraw/zinc/99/24/67/638992467.db2.gz ZJUNXWUXLCFSDD-UHFFFAOYSA-N 1 1 288.366 3.350 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000930578319 639030500 /nfs/dbraw/zinc/03/05/00/639030500.db2.gz UDRYGXGYXNBJPP-LJQANCHMSA-N 1 1 297.446 3.093 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000930578319 639030505 /nfs/dbraw/zinc/03/05/05/639030505.db2.gz UDRYGXGYXNBJPP-LJQANCHMSA-N 1 1 297.446 3.093 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000930578319 639030508 /nfs/dbraw/zinc/03/05/08/639030508.db2.gz UDRYGXGYXNBJPP-LJQANCHMSA-N 1 1 297.446 3.093 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000930578319 639030513 /nfs/dbraw/zinc/03/05/13/639030513.db2.gz UDRYGXGYXNBJPP-LJQANCHMSA-N 1 1 297.446 3.093 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000930709861 639057646 /nfs/dbraw/zinc/05/76/46/639057646.db2.gz KFKCZXXPPXLWKI-OAHLLOKOSA-N 1 1 280.456 3.168 20 30 CGEDMO N#CC1CCC(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)CC1 ZINC000930865263 639079401 /nfs/dbraw/zinc/07/94/01/639079401.db2.gz CNPRWBIXAGDORV-WXRRBKDZSA-N 1 1 254.324 3.047 20 30 CGEDMO C=CC[N@@H+](C[C@@H]1CCC[C@@H](C(F)(F)F)O1)[C@@H](C)COC ZINC000930932426 639088566 /nfs/dbraw/zinc/08/85/66/639088566.db2.gz KSGVHCJNXJUFSS-AVGNSLFASA-N 1 1 295.345 3.009 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H](C)C1(F)F ZINC000859412569 639138387 /nfs/dbraw/zinc/13/83/87/639138387.db2.gz UHFDAGKAFJNVHR-BETUJISGSA-N 1 1 294.345 3.312 20 30 CGEDMO C=CC[C@H]1CC[N@H+]([C@@H]2CCCN(Cc3ccccc3)C2=O)C1 ZINC000859445719 639143338 /nfs/dbraw/zinc/14/33/38/639143338.db2.gz OAECDWUJRLFCRC-FUHWJXTLSA-N 1 1 298.430 3.076 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC000859583383 639168162 /nfs/dbraw/zinc/16/81/62/639168162.db2.gz UBUZHWCLQVXFOL-IBGZPJMESA-N 1 1 292.382 3.042 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CF)C2)c1 ZINC000931683561 639187160 /nfs/dbraw/zinc/18/71/60/639187160.db2.gz VYZKXVFPZPVXFH-NSHDSACASA-N 1 1 266.747 3.393 20 30 CGEDMO C[C@@H]1CC(F)(F)CC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000859835318 639235664 /nfs/dbraw/zinc/23/56/64/639235664.db2.gz RSUBYVBXOFXMKP-CYBMUJFWSA-N 1 1 294.345 3.447 20 30 CGEDMO CC(C)(C)OC(=O)C1(CC[N@@H+]2CCC[C@@H](C#N)C2)CCC1 ZINC000932147225 639275275 /nfs/dbraw/zinc/27/52/75/639275275.db2.gz BNNAKYVXZFPJPL-AWEZNQCLSA-N 1 1 292.423 3.124 20 30 CGEDMO CC(C)(C)OC(=O)C1(CC[N@H+]2CCC[C@@H](C#N)C2)CCC1 ZINC000932147225 639275280 /nfs/dbraw/zinc/27/52/80/639275280.db2.gz BNNAKYVXZFPJPL-AWEZNQCLSA-N 1 1 292.423 3.124 20 30 CGEDMO C#CCCC[N@H+]([C@H](C)COC)[C@H]1CCc2ccccc21 ZINC000860111597 639283538 /nfs/dbraw/zinc/28/35/38/639283538.db2.gz NNLBRBDREZRGBB-QAPCUYQASA-N 1 1 271.404 3.424 20 30 CGEDMO C#CCC[N@H+]([C@H](C)COC)[C@@H]1CCc2ccccc21 ZINC000860111655 639284022 /nfs/dbraw/zinc/28/40/22/639284022.db2.gz OVHIRXFZHVKBTB-RHSMWYFYSA-N 1 1 257.377 3.034 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCn2cccc2C1 ZINC000932532572 639348429 /nfs/dbraw/zinc/34/84/29/639348429.db2.gz MWPAANHIRCSNJE-UHFFFAOYSA-N 1 1 279.387 3.305 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCn2cccc2C1 ZINC000932532572 639348436 /nfs/dbraw/zinc/34/84/36/639348436.db2.gz MWPAANHIRCSNJE-UHFFFAOYSA-N 1 1 279.387 3.305 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000932698603 639374549 /nfs/dbraw/zinc/37/45/49/639374549.db2.gz HVXFGUQFFMJWSP-AWEZNQCLSA-N 1 1 282.428 3.189 20 30 CGEDMO C#CC[N@H+](Cc1cc[nH]c(=O)c1)[C@H]1CCCc2ccccc21 ZINC000933421001 639448834 /nfs/dbraw/zinc/44/88/34/639448834.db2.gz ULEBVFZIVSDDRT-SFHVURJKSA-N 1 1 292.382 3.300 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCCSC[C@H]2C2CC2)ccc1F ZINC000933915009 639506391 /nfs/dbraw/zinc/50/63/91/639506391.db2.gz FQHMOVHYVOMOOU-INIZCTEOSA-N 1 1 290.407 3.415 20 30 CGEDMO C=C(C)CN(C)C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC000934076141 639532204 /nfs/dbraw/zinc/53/22/04/639532204.db2.gz VVDHNZASBSXCGI-UHFFFAOYSA-N 1 1 288.395 3.112 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1nc(-c2cccc(C)c2)no1 ZINC000934469846 639614716 /nfs/dbraw/zinc/61/47/16/639614716.db2.gz IHBWATYENFAUTK-AWEZNQCLSA-N 1 1 269.348 3.195 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1nc(-c2cccc(C)c2)no1 ZINC000934469846 639614719 /nfs/dbraw/zinc/61/47/19/639614719.db2.gz IHBWATYENFAUTK-AWEZNQCLSA-N 1 1 269.348 3.195 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1nc(-c2ccccc2C)no1 ZINC000934469993 639615408 /nfs/dbraw/zinc/61/54/08/639615408.db2.gz AJAFNJWTEFYYBY-ZDUSSCGKSA-N 1 1 269.348 3.195 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1nc(-c2ccccc2C)no1 ZINC000934469993 639615416 /nfs/dbraw/zinc/61/54/16/639615416.db2.gz AJAFNJWTEFYYBY-ZDUSSCGKSA-N 1 1 269.348 3.195 20 30 CGEDMO C=CCCC[N@@H+](CC)Cc1ncnn1-c1ccccc1 ZINC000934645502 639649051 /nfs/dbraw/zinc/64/90/51/639649051.db2.gz RVIAWJKBGSXHCO-UHFFFAOYSA-N 1 1 270.380 3.055 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1ncnn1-c1ccccc1 ZINC000934645502 639649053 /nfs/dbraw/zinc/64/90/53/639649053.db2.gz RVIAWJKBGSXHCO-UHFFFAOYSA-N 1 1 270.380 3.055 20 30 CGEDMO C#CCCCCC[N@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000934829815 639681336 /nfs/dbraw/zinc/68/13/36/639681336.db2.gz BVLPAGFXKRPLTP-IRXDYDNUSA-N 1 1 263.425 3.319 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000934873311 639694145 /nfs/dbraw/zinc/69/41/45/639694145.db2.gz BUZCPXXGEATCOQ-DLBZAZTESA-N 1 1 299.418 3.468 20 30 CGEDMO C=CCCC[N@H+](C)CN1CC[C@@](C)(c2ccccc2)C1=O ZINC000188674720 640148278 /nfs/dbraw/zinc/14/82/78/640148278.db2.gz QRKMAUXKYWUMFJ-SFHVURJKSA-N 1 1 286.419 3.032 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CCSCC[C@H]2C)cc1 ZINC000191819754 640332611 /nfs/dbraw/zinc/33/26/11/640332611.db2.gz UKHVHZKGDZGPOQ-OAHLLOKOSA-N 1 1 289.444 3.416 20 30 CGEDMO C=C(Br)C[N@@H+]1CCC[C@@]1(CCC)COC ZINC000194936556 640559528 /nfs/dbraw/zinc/55/95/28/640559528.db2.gz ZZTGKGXRYQLXQO-LBPRGKRZSA-N 1 1 276.218 3.176 20 30 CGEDMO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCCCCCC1 ZINC000083127493 640595380 /nfs/dbraw/zinc/59/53/80/640595380.db2.gz KMVQZQYSGRNPAN-INIZCTEOSA-N 1 1 286.375 3.038 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000088704525 640621505 /nfs/dbraw/zinc/62/15/05/640621505.db2.gz WGHQWSLUOVBVMP-CABCVRRESA-N 1 1 272.392 3.448 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)C2=CCCCCC2)C1 ZINC001007191974 640675397 /nfs/dbraw/zinc/67/53/97/640675397.db2.gz AGPAHJPWYQVEPI-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO CCCCCCC[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000247296811 640715582 /nfs/dbraw/zinc/71/55/82/640715582.db2.gz ULHWDVADEHLEDA-ZIAGYGMSSA-N 1 1 257.443 3.163 20 30 CGEDMO C[N@@H+](CCCNC(=O)OC(C)(C)C)CC(C)(C)CCC#N ZINC000093538779 640775339 /nfs/dbraw/zinc/77/53/39/640775339.db2.gz PRDADOLSXBGBBL-UHFFFAOYSA-N 1 1 297.443 3.163 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)sc2C)C1 ZINC001007831549 640945852 /nfs/dbraw/zinc/94/58/52/640945852.db2.gz HULRZHYHBFPMAO-CQSZACIVSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001009316071 640959419 /nfs/dbraw/zinc/95/94/19/640959419.db2.gz CWFFJWRBTDTOGS-QGZVFWFLSA-N 1 1 286.419 3.190 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001014437718 640972185 /nfs/dbraw/zinc/97/21/85/640972185.db2.gz KHGKUCFYEGPUQN-HOTGVXAUSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2coc3c2cccc3C)C1 ZINC001014735491 640975553 /nfs/dbraw/zinc/97/55/53/640975553.db2.gz GIGONUQFRVDWGW-CQSZACIVSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001014922221 640976730 /nfs/dbraw/zinc/97/67/30/640976730.db2.gz ZPXXEBJFBVDAOU-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC)s2)C1 ZINC001015139447 640977551 /nfs/dbraw/zinc/97/75/51/640977551.db2.gz HNHZUEOYBKNBDG-ZDUSSCGKSA-N 1 1 292.448 3.081 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)ccc2C2CC2)C1 ZINC001015376941 640979335 /nfs/dbraw/zinc/97/93/35/640979335.db2.gz NMAFYYQZFWGSEO-MRXNPFEDSA-N 1 1 298.430 3.253 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccoc2CCC)C1 ZINC001015992384 640989330 /nfs/dbraw/zinc/98/93/30/640989330.db2.gz HVAWPQPKMKAEPU-AWEZNQCLSA-N 1 1 290.407 3.002 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC001016098497 640992651 /nfs/dbraw/zinc/99/26/51/640992651.db2.gz ZIRUSUKYIXCSIH-KRWDZBQOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001016317467 640994911 /nfs/dbraw/zinc/99/49/11/640994911.db2.gz WZBZJRRIROVJBR-GOSISDBHSA-N 1 1 298.430 3.334 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC001016424752 640999414 /nfs/dbraw/zinc/99/94/14/640999414.db2.gz NNAXCYDXEFLNOB-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC001017178623 641008510 /nfs/dbraw/zinc/00/85/10/641008510.db2.gz AMUWTLOXLGCUER-INIZCTEOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](C[N@@H+](C)C(C)C)C1 ZINC001017202481 641009225 /nfs/dbraw/zinc/00/92/25/641009225.db2.gz YFPBLEMYTUMREG-RDJZCZTQSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(CC)CCCCC1 ZINC001018302473 641022250 /nfs/dbraw/zinc/02/22/50/641022250.db2.gz QUSSOFQALODGQY-IYBDPMFKSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(CC)CCCCC1 ZINC001018302473 641022256 /nfs/dbraw/zinc/02/22/56/641022256.db2.gz QUSSOFQALODGQY-IYBDPMFKSA-N 1 1 290.451 3.208 20 30 CGEDMO C=Cc1ccc(C(=O)NC[C@@H](C)[N@@H+](CC)CC(=C)C)cc1 ZINC001155412631 805580491 /nfs/dbraw/zinc/58/04/91/805580491.db2.gz LLFZMVILQLNNNJ-OAHLLOKOSA-N 1 1 286.419 3.346 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1ccc2cc[nH]c2c1 ZINC001155460737 805584877 /nfs/dbraw/zinc/58/48/77/805584877.db2.gz XXKNJZKAXKTKHV-CQSZACIVSA-N 1 1 299.418 3.184 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)CC1CCCC1 ZINC001155607107 805596995 /nfs/dbraw/zinc/59/69/95/805596995.db2.gz ICEASWUHAHOCJB-JKSUJKDBSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1csc(C)c1 ZINC001155834763 805614789 /nfs/dbraw/zinc/61/47/89/805614789.db2.gz ZTGAQTRIZIGDAK-GFCCVEGCSA-N 1 1 280.437 3.073 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)CCCCCC ZINC001155924893 805627075 /nfs/dbraw/zinc/62/70/75/805627075.db2.gz WZFCQEWUCQRRBO-HZPDHXFCSA-N 1 1 280.456 3.053 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@H](CC)CCC ZINC001156046459 805646791 /nfs/dbraw/zinc/64/67/91/805646791.db2.gz OPNLPWQFAAOOET-HUUCEWRRSA-N 1 1 268.445 3.215 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1cc(C(C)C)oc1C ZINC001156125269 805656838 /nfs/dbraw/zinc/65/68/38/805656838.db2.gz AHMGPWMWEVTGJK-CYBMUJFWSA-N 1 1 292.423 3.338 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)CNC(=O)CCCC1CCCCC1 ZINC001156741364 805729436 /nfs/dbraw/zinc/72/94/36/805729436.db2.gz POFZXNZWOZMGIG-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1cc(C)c(C)s1 ZINC001156791637 805737414 /nfs/dbraw/zinc/73/74/14/805737414.db2.gz CYEXJBKDFRJSLH-CYBMUJFWSA-N 1 1 294.464 3.381 20 30 CGEDMO C[C@H](Nc1[nH+]cnc2c1ccn2C)c1cccc(C#N)c1 ZINC001156871513 805742786 /nfs/dbraw/zinc/74/27/86/805742786.db2.gz JKJKWURUTBVRQI-NSHDSACASA-N 1 1 277.331 3.013 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCCNc1ccc2[nH]c(C#N)cc2n1 ZINC001156929194 805755976 /nfs/dbraw/zinc/75/59/76/805755976.db2.gz UAVJYHGWOCQOKY-ZDUSSCGKSA-N 1 1 297.406 3.111 20 30 CGEDMO C=CCCCCCCNC(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@@H+]2C1 ZINC001157258674 805793970 /nfs/dbraw/zinc/79/39/70/805793970.db2.gz UGIYINUCRPISQI-ZACQAIPSSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)C1CC1 ZINC001157417004 805809147 /nfs/dbraw/zinc/80/91/47/805809147.db2.gz PWLAAHQXEQGNKZ-GOEBONIOSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CSC(C)C ZINC001157573181 805836964 /nfs/dbraw/zinc/83/69/64/805836964.db2.gz KBBOFLCPIOUGKT-OAHLLOKOSA-N 1 1 298.496 3.017 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccsc1C ZINC001157930369 805905338 /nfs/dbraw/zinc/90/53/38/805905338.db2.gz FIDAVCYBLPFVHG-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CC(C)(C)CC ZINC001158011974 805912832 /nfs/dbraw/zinc/91/28/32/805912832.db2.gz YJJLPFDMANZNLO-MRXNPFEDSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)CC(=C)C ZINC001158011714 805913454 /nfs/dbraw/zinc/91/34/54/805913454.db2.gz MJENOLDIJNWGIB-MRXNPFEDSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCCC12CC2 ZINC001158123810 805922743 /nfs/dbraw/zinc/92/27/43/805922743.db2.gz CQEKTSGTQPTUOH-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)CC[C@H](C)F ZINC001158419744 805952904 /nfs/dbraw/zinc/95/29/04/805952904.db2.gz ZHCKOXMQCSBYLT-JKSUJKDBSA-N 1 1 298.446 3.404 20 30 CGEDMO C=CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CC1 ZINC001158419735 805953538 /nfs/dbraw/zinc/95/35/38/805953538.db2.gz ZAMYMAVFAXIKIB-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCCC(C)C ZINC001158518732 805962871 /nfs/dbraw/zinc/96/28/71/805962871.db2.gz LINZWMKILLDXQS-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001252125811 806012553 /nfs/dbraw/zinc/01/25/53/806012553.db2.gz HDQIWUAVJXXLCV-YHUYYLMFSA-N 1 1 271.420 3.388 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1C[C@H](CO)CC[C@@H]1C ZINC001252125506 806014148 /nfs/dbraw/zinc/01/41/48/806014148.db2.gz ZRRWTGPPWSGGPI-BBWFWOEESA-N 1 1 285.472 3.191 20 30 CGEDMO CCCCCCCC[C@H](O)CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC001252129998 806015468 /nfs/dbraw/zinc/01/54/68/806015468.db2.gz IMHCWVJPKYFHRP-MSOLQXFVSA-N 1 1 296.499 3.268 20 30 CGEDMO CCCCCCCC[C@H](O)C[NH2+][C@@H]1CCN(C)C[C@H]1C ZINC001252141957 806025963 /nfs/dbraw/zinc/02/59/63/806025963.db2.gz QTROEQFTWMQMIB-IXDOHACOSA-N 1 1 284.488 3.028 20 30 CGEDMO N#Cc1cc(Cc2ccccc2)sc1N=C1CC[NH2+]C1 ZINC001159129958 806046465 /nfs/dbraw/zinc/04/64/65/806046465.db2.gz JDCIFHRWLQXTEA-UHFFFAOYSA-N 1 1 281.384 3.110 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+]1CCCC[C@H]1c1ccccc1F ZINC001252554037 806062050 /nfs/dbraw/zinc/06/20/50/806062050.db2.gz AHVIBHBRDMZIKU-JKSUJKDBSA-N 1 1 263.356 3.290 20 30 CGEDMO C=C[C@@](C)(O)C[N@@H+](Cc1ccccc1)Cc1ccccn1 ZINC001252549033 806062542 /nfs/dbraw/zinc/06/25/42/806062542.db2.gz ZOSIQEXDJRUZPW-GOSISDBHSA-N 1 1 282.387 3.021 20 30 CGEDMO C=C[C@](C)(O)C[N@H+](CC)Cc1c(F)cccc1Cl ZINC001252556724 806063866 /nfs/dbraw/zinc/06/38/66/806063866.db2.gz FYZIPJJNHXKBLK-AWEZNQCLSA-N 1 1 271.763 3.238 20 30 CGEDMO C=C[C@](C)(O)C[N@@H+](CC)Cc1c(F)cccc1Cl ZINC001252556724 806063876 /nfs/dbraw/zinc/06/38/76/806063876.db2.gz FYZIPJJNHXKBLK-AWEZNQCLSA-N 1 1 271.763 3.238 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1c1c(F)cccc1F ZINC001252601963 806080573 /nfs/dbraw/zinc/08/05/73/806080573.db2.gz HQVALPMNXKPEMD-SWLSCSKDSA-N 1 1 281.346 3.429 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@H](c2cccc(OC)c2)C1 ZINC001252603989 806083411 /nfs/dbraw/zinc/08/34/11/806083411.db2.gz KLFSPSDZVJTJNH-IRXDYDNUSA-N 1 1 289.419 3.202 20 30 CGEDMO C=CCC[C@H](O)CN(C)C1CC[NH+](C2CCCCC2)CC1 ZINC001252604102 806083437 /nfs/dbraw/zinc/08/34/37/806083437.db2.gz MWSYRHVZERBRBG-SFHVURJKSA-N 1 1 294.483 3.042 20 30 CGEDMO Cc1ccc(CC#N)c(N[C@@H](C)c2cccc(N)c2)[nH+]1 ZINC001159639638 806139974 /nfs/dbraw/zinc/13/99/74/806139974.db2.gz XSCZGVRYARVNDJ-LBPRGKRZSA-N 1 1 266.348 3.211 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[N@H+]1CCC[C@H]1CO ZINC001252980610 806145872 /nfs/dbraw/zinc/14/58/72/806145872.db2.gz WSPHKLMHOWRJLL-IRXDYDNUSA-N 1 1 285.472 3.335 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CCNC(=O)/C(C)=C/C)CC1 ZINC001159753938 806165535 /nfs/dbraw/zinc/16/55/35/806165535.db2.gz WLCCFEWFEXUIAS-PJQLUOCWSA-N 1 1 276.424 3.057 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC001253235392 806188930 /nfs/dbraw/zinc/18/89/30/806188930.db2.gz LDTOJYUMPYPXNB-ZWKOTPCHSA-N 1 1 295.467 3.376 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCC2(CC2)C1 ZINC001253235775 806189089 /nfs/dbraw/zinc/18/90/89/806189089.db2.gz NWNVHLLCCBILAX-HNNXBMFYSA-N 1 1 251.414 3.360 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+](CC)C1CCOCC1 ZINC001253238275 806189225 /nfs/dbraw/zinc/18/92/25/806189225.db2.gz BTAUEORZZUDQQY-QGZVFWFLSA-N 1 1 283.456 3.375 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001253240238 806190432 /nfs/dbraw/zinc/19/04/32/806190432.db2.gz HOEMHOQLQGGCHB-IAGOWNOFSA-N 1 1 281.440 3.129 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+](CCC)CC(=O)OCC ZINC001253240628 806192458 /nfs/dbraw/zinc/19/24/58/806192458.db2.gz NTEMXOYRMRCSJG-MRXNPFEDSA-N 1 1 299.455 3.149 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+](CCC)CC(=O)OCC ZINC001253240628 806192463 /nfs/dbraw/zinc/19/24/63/806192463.db2.gz NTEMXOYRMRCSJG-MRXNPFEDSA-N 1 1 299.455 3.149 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCc2ccncc2C1 ZINC001253241085 806192521 /nfs/dbraw/zinc/19/25/21/806192521.db2.gz RQBPPFSFKHSTSX-SFHVURJKSA-N 1 1 288.435 3.327 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1C[C@@H]2CCCC(=O)[C@@H]2C1 ZINC001253240797 806192679 /nfs/dbraw/zinc/19/26/79/806192679.db2.gz AAEDLCVXYWOYBX-YESZJQIVSA-N 1 1 293.451 3.175 20 30 CGEDMO C=CCCCCCC[C@@H](O)CN1CC[C@H]([N@H+](C)C(C)C)C1 ZINC001253243167 806194127 /nfs/dbraw/zinc/19/41/27/806194127.db2.gz SJDQLVLPHMKNNB-ZWKOTPCHSA-N 1 1 296.499 3.288 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CC[C@H](N(C)C(C)C)C1 ZINC001253243167 806194131 /nfs/dbraw/zinc/19/41/31/806194131.db2.gz SJDQLVLPHMKNNB-ZWKOTPCHSA-N 1 1 296.499 3.288 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1CC[C@H](N(C)C(C)C)C1 ZINC001253243167 806194137 /nfs/dbraw/zinc/19/41/37/806194137.db2.gz SJDQLVLPHMKNNB-ZWKOTPCHSA-N 1 1 296.499 3.288 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)C[C@H](C)CC)CC1 ZINC001159933666 806201727 /nfs/dbraw/zinc/20/17/27/806201727.db2.gz JHZHXNGGWWDSOW-OAHLLOKOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(Cl)C[N@H+]1CC=C(CCNC(=O)C[C@H](C)CC)CC1 ZINC001159940451 806202285 /nfs/dbraw/zinc/20/22/85/806202285.db2.gz ODHWBNYHHMEPDL-CYBMUJFWSA-N 1 1 298.858 3.314 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)C[C@H](C)CC)CC1 ZINC001159940451 806202293 /nfs/dbraw/zinc/20/22/93/806202293.db2.gz ODHWBNYHHMEPDL-CYBMUJFWSA-N 1 1 298.858 3.314 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[NH2+]C(C)(C)CCN(C)C ZINC001253250523 806196280 /nfs/dbraw/zinc/19/62/80/806196280.db2.gz BFMFCLGSQJWPNQ-MRXNPFEDSA-N 1 1 284.488 3.194 20 30 CGEDMO Cc1ccc(CC#N)c(N[C@@H]2CCc3c2cccc3C#N)[nH+]1 ZINC001159919404 806198938 /nfs/dbraw/zinc/19/89/38/806198938.db2.gz WCLXUOAMIXEBKK-QGZVFWFLSA-N 1 1 288.354 3.427 20 30 CGEDMO C#CCCCCCC(=O)NCCC1=CC[N@@H+](C(C)C)CC1 ZINC001160927788 806323520 /nfs/dbraw/zinc/32/35/20/806323520.db2.gz QRFHWOGWUWPXOL-UHFFFAOYSA-N 1 1 290.451 3.117 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1nc2cnccc2cc1C ZINC001160957254 806328423 /nfs/dbraw/zinc/32/84/23/806328423.db2.gz IYJFAUPGFIEMNB-HNNXBMFYSA-N 1 1 282.391 3.001 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC2(C)C)CC1 ZINC001160968515 806329994 /nfs/dbraw/zinc/32/99/94/806329994.db2.gz WCFPMBMQSKNVJJ-MRXNPFEDSA-N 1 1 290.451 3.137 20 30 CGEDMO N#C[C@@H]1CC[N@H+](C2CCC(C#N)(c3ccc(F)cc3)CC2)C1 ZINC001254356299 806383341 /nfs/dbraw/zinc/38/33/41/806383341.db2.gz OANFEWUIBIDLTJ-NNGSBXSVSA-N 1 1 297.377 3.375 20 30 CGEDMO N#Cc1c[nH]c2cc[nH+]c(NC3CC4(CCC4)C3)c12 ZINC001161447299 806383685 /nfs/dbraw/zinc/38/36/85/806383685.db2.gz TZOKNSBNNVRYEL-UHFFFAOYSA-N 1 1 252.321 3.179 20 30 CGEDMO C[C@H]([NH2+][C@@H]1CCCC[C@H]1N(C)C)c1ccc(C#N)cc1F ZINC001254410537 806393961 /nfs/dbraw/zinc/39/39/61/806393961.db2.gz YMMXGFVJEPGMDM-JCURWCKSSA-N 1 1 289.398 3.221 20 30 CGEDMO CN1CCC[C@@H]([NH+]2CCC(C#Cc3ccccc3)CC2)CC1 ZINC001254532164 806445282 /nfs/dbraw/zinc/44/52/82/806445282.db2.gz QRCKJAJTSYUPDM-HXUWFJFHSA-N 1 1 296.458 3.234 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)C(C)(C)C)CC1 ZINC001161755052 806446163 /nfs/dbraw/zinc/44/61/63/806446163.db2.gz JGXGTKQYCILHNM-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C[N@@H+](Cc1ncccc1C(F)(F)F)[C@@H]1CC[C@@H](C#N)C1 ZINC001254661559 806477752 /nfs/dbraw/zinc/47/77/52/806477752.db2.gz VLFWPXTYNIQFMW-GHMZBOCLSA-N 1 1 283.297 3.224 20 30 CGEDMO C#CC[N@H+]([C@@H]1CCc2ccccc21)[C@H]1CC[C@H](C#N)C1 ZINC001254668785 806479706 /nfs/dbraw/zinc/47/97/06/806479706.db2.gz LCONOOSMDLPPIT-QILLFSRXSA-N 1 1 264.372 3.301 20 30 CGEDMO N#Cc1ccccc1O[C@@H]1CCC[N@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC001254671431 806481050 /nfs/dbraw/zinc/48/10/50/806481050.db2.gz REKPYOGBOHBWOE-BHYGNILZSA-N 1 1 295.386 3.094 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCCC3(CC(F)C3)CC2)C1 ZINC001254670417 806482084 /nfs/dbraw/zinc/48/20/84/806482084.db2.gz JJCGOLZVVIVYQW-JLVJUDLZSA-N 1 1 250.361 3.283 20 30 CGEDMO COc1ccc2c(c1)C[N@@H+]([C@@H]1CC[C@@H](C#N)C1)CCC2 ZINC001254675819 806482726 /nfs/dbraw/zinc/48/27/26/806482726.db2.gz GTOKOAOZIVFQKC-CZUORRHYSA-N 1 1 270.376 3.136 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@H]1CC2CCN(CC2)C1 ZINC001254863235 806502432 /nfs/dbraw/zinc/50/24/32/806502432.db2.gz AIDVAVGEFLXFKI-SFHVURJKSA-N 1 1 270.420 3.159 20 30 CGEDMO C=CCN(Cc1ccccc1)[C@H]1CC2CC[NH+](CC2)C1 ZINC001254863235 806502436 /nfs/dbraw/zinc/50/24/36/806502436.db2.gz AIDVAVGEFLXFKI-SFHVURJKSA-N 1 1 270.420 3.159 20 30 CGEDMO N#CC1(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC001255122663 806549105 /nfs/dbraw/zinc/54/91/05/806549105.db2.gz UFISFNSLOKFXNV-NNZMDNLPSA-N 1 1 295.430 3.218 20 30 CGEDMO C=CCc1cc(C)c[nH+]c1N[C@H]1CC[C@](C)(O)CC1 ZINC001162354930 806563186 /nfs/dbraw/zinc/56/31/86/806563186.db2.gz AITKOWCHUNRBRY-KOMQPUFPSA-N 1 1 260.381 3.224 20 30 CGEDMO CC[C@@H](CC#N)[NH+]1CCC2(CC1)OCc1ccccc12 ZINC001255171899 806564476 /nfs/dbraw/zinc/56/44/76/806564476.db2.gz DJVPTHWGFQPMOV-HNNXBMFYSA-N 1 1 270.376 3.200 20 30 CGEDMO CC[C@H](CC#N)[N@@H+](Cc1ccccc1)C1CCOCC1 ZINC001255174395 806568128 /nfs/dbraw/zinc/56/81/28/806568128.db2.gz WIIDLNONPMMCMK-MRXNPFEDSA-N 1 1 272.392 3.360 20 30 CGEDMO CC[C@H](CC#N)[N@H+](Cc1cccc(OC)c1)[C@@H](C)COC ZINC001255175597 806568787 /nfs/dbraw/zinc/56/87/87/806568787.db2.gz RTYWYISQZDZGHW-GOEBONIOSA-N 1 1 290.407 3.224 20 30 CGEDMO CC[C@H](CC#N)[N@@H+](Cc1cccc(OC)c1)[C@@H](C)COC ZINC001255175597 806568792 /nfs/dbraw/zinc/56/87/92/806568792.db2.gz RTYWYISQZDZGHW-GOEBONIOSA-N 1 1 290.407 3.224 20 30 CGEDMO CC[C@@H](CC#N)N1CC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC001255176457 806571153 /nfs/dbraw/zinc/57/11/53/806571153.db2.gz BQYVAWWDDJDZLG-PBHICJAKSA-N 1 1 289.398 3.197 20 30 CGEDMO CC[C@@H](CC#N)[NH+]1CCCN(C(=O)OC(C)(C)C)CCC1 ZINC001255179358 806572550 /nfs/dbraw/zinc/57/25/50/806572550.db2.gz OUXHWNGMKNJKDV-AWEZNQCLSA-N 1 1 295.427 3.012 20 30 CGEDMO CC[N@H+]1CCCC[C@@H]1CNc1cc(C)cc(F)c1C#N ZINC001162489483 806596388 /nfs/dbraw/zinc/59/63/88/806596388.db2.gz HRUMIKRLNQZZEZ-CYBMUJFWSA-N 1 1 275.371 3.292 20 30 CGEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H](C)CCCC)C2 ZINC001255328339 806615396 /nfs/dbraw/zinc/61/53/96/806615396.db2.gz ITZOAFINXGSJLI-YESZJQIVSA-N 1 1 281.440 3.391 20 30 CGEDMO C=CCn1ccc2c1nc[nH+]c2NC[C@@H]1CCC(F)(F)C1 ZINC001162645894 806636308 /nfs/dbraw/zinc/63/63/08/806636308.db2.gz CKUFTTKGIXEUMU-LLVKDONJSA-N 1 1 292.333 3.465 20 30 CGEDMO CC(C)(C)C(=[NH2+])Nc1ccc(C(F)(F)F)c(C#N)n1 ZINC001162657676 806641608 /nfs/dbraw/zinc/64/16/08/806641608.db2.gz NYWIKTUUJLDHRE-UHFFFAOYSA-N 1 1 270.258 3.407 20 30 CGEDMO C[C@@H](C1CC1)[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC000036785338 798850950 /nfs/dbraw/zinc/85/09/50/798850950.db2.gz BVUDMRPTRCBAQK-ZDUSSCGKSA-N 1 1 258.365 3.057 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000093506041 798965741 /nfs/dbraw/zinc/96/57/41/798965741.db2.gz AROGZUVBXUPPDN-AEFFLSMTSA-N 1 1 287.403 3.252 20 30 CGEDMO Cc1cccc2c1CC[N@@H+](Cc1cccc(C#N)c1)C2 ZINC000148427810 799051939 /nfs/dbraw/zinc/05/19/39/799051939.db2.gz YULZKJLIANYVST-UHFFFAOYSA-N 1 1 262.356 3.425 20 30 CGEDMO C=CC[C@@](C)([NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)OC ZINC001255707511 806713148 /nfs/dbraw/zinc/71/31/48/806713148.db2.gz GMLZTEYLVMLMJL-NTZNESFSSA-N 1 1 293.329 3.205 20 30 CGEDMO C[C@]1(C#N)CC[N@H+]([C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001255723536 806720605 /nfs/dbraw/zinc/72/06/05/806720605.db2.gz NLUYNUCIHNBJEW-IJLUTSLNSA-N 1 1 260.303 3.343 20 30 CGEDMO C=CCC(C)(C)c1noc(CCCn2cc[nH+]c2C)n1 ZINC000349725715 799305449 /nfs/dbraw/zinc/30/54/49/799305449.db2.gz UOKHJFIQCMYUNX-UHFFFAOYSA-N 1 1 274.368 3.061 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+]Cc1cscc1Br ZINC000384171486 799412659 /nfs/dbraw/zinc/41/26/59/799412659.db2.gz MYEUVTBUAGLBPH-NSHDSACASA-N 1 1 272.211 3.402 20 30 CGEDMO CC[C@H](C)[N@@H+](CCO[C@@H](C)C#N)Cc1ccccc1 ZINC000387322503 799445801 /nfs/dbraw/zinc/44/58/01/799445801.db2.gz CQHFKVCFJPIYGA-GJZGRUSLSA-N 1 1 260.381 3.216 20 30 CGEDMO C#C[C@H](CC)[NH2+]Cc1ccsc1Br ZINC000388407172 799452804 /nfs/dbraw/zinc/45/28/04/799452804.db2.gz ULCWQBLBPZVCAN-SECBINFHSA-N 1 1 258.184 3.012 20 30 CGEDMO Cc1ccc(C[C@@H](C)[N@H+]2CCC3SC(=O)C=C3C2)cc1 ZINC001255787420 806750614 /nfs/dbraw/zinc/75/06/14/806750614.db2.gz KGZGFESZXVWBBI-CJNGLKHVSA-N 1 1 287.428 3.200 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@@H]1CN1CCCC(C)(C)[C@H]1C#N ZINC000450853833 799625706 /nfs/dbraw/zinc/62/57/06/799625706.db2.gz CESPECZBPAMWKL-HZPDHXFCSA-N 1 1 277.456 3.263 20 30 CGEDMO Oc1ccccc1/C=N\C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000588615000 799720985 /nfs/dbraw/zinc/72/09/85/799720985.db2.gz QPEPDESWRFVTTE-VJOZSWGJSA-N 1 1 294.398 3.333 20 30 CGEDMO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000695862734 799835605 /nfs/dbraw/zinc/83/56/05/799835605.db2.gz GJNVBTVRUFOVGO-FUHWJXTLSA-N 1 1 299.462 3.426 20 30 CGEDMO COc1cc(C[N@H+]2CCC23CCCCC3)ccc1C#N ZINC000707346856 799976573 /nfs/dbraw/zinc/97/65/73/799976573.db2.gz NFFFRVLXHRGQLO-UHFFFAOYSA-N 1 1 270.376 3.475 20 30 CGEDMO C#C[C@H](CC)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716721311 800178784 /nfs/dbraw/zinc/17/87/84/800178784.db2.gz ZXZINZVTJHSOKR-RDGPPVDQSA-N 1 1 282.431 3.041 20 30 CGEDMO C#C[C@H](CC)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716721311 800178789 /nfs/dbraw/zinc/17/87/89/800178789.db2.gz ZXZINZVTJHSOKR-RDGPPVDQSA-N 1 1 282.431 3.041 20 30 CGEDMO CCCCCCCCCC[N@H+]1CC[C@]2(C1)CNCCO2 ZINC000717569289 800204413 /nfs/dbraw/zinc/20/44/13/800204413.db2.gz QUIHVRJHWNUKLI-QGZVFWFLSA-N 1 1 282.472 3.191 20 30 CGEDMO C[C@@H](COCc1ccccc1)C[N@H+]1CCC[C@@H](C#N)C1 ZINC000719590742 800245094 /nfs/dbraw/zinc/24/50/94/800245094.db2.gz FBXKXAKUCHHIKW-WBVHZDCISA-N 1 1 272.392 3.075 20 30 CGEDMO C[C@H](c1ccccc1)[N@@H+](C)Cc1cncc(C#N)c1 ZINC000721583679 800295367 /nfs/dbraw/zinc/29/53/67/800295367.db2.gz CRBLEMVFARYSNW-CYBMUJFWSA-N 1 1 251.333 3.146 20 30 CGEDMO C=CC[C@H]([NH2+][C@@H]1CCC[C@H](c2ccccc2)C1)C(=O)OC ZINC001256109047 806822969 /nfs/dbraw/zinc/82/29/69/806822969.db2.gz SMAGDVHRMHIFTK-BBWFWOEESA-N 1 1 287.403 3.420 20 30 CGEDMO C[C@@H]1C[C@H](C[N@@H+](C)Cc2cccc(C#N)c2)C[C@H](C)O1 ZINC000724864714 800369184 /nfs/dbraw/zinc/36/91/84/800369184.db2.gz UNHQJWJTICCLQR-HALDLXJZSA-N 1 1 272.392 3.194 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCn3cccc3[C@H]2C)cc1 ZINC000809539044 800443408 /nfs/dbraw/zinc/44/34/08/800443408.db2.gz XRHRPMHXPYIYAQ-CQSZACIVSA-N 1 1 250.345 3.046 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCn3cccc3[C@H]2C)cc1 ZINC000809539044 800443410 /nfs/dbraw/zinc/44/34/10/800443410.db2.gz XRHRPMHXPYIYAQ-CQSZACIVSA-N 1 1 250.345 3.046 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)Cc1cccc(Br)c1 ZINC001256191477 806845920 /nfs/dbraw/zinc/84/59/20/806845920.db2.gz STIZKZQCZXKBFK-LLVKDONJSA-N 1 1 268.198 3.498 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)c2ccc(C)c(C)c2)CC1 ZINC001001424137 800697270 /nfs/dbraw/zinc/69/72/70/800697270.db2.gz WMMKJCIOYUSFKU-UHFFFAOYSA-N 1 1 298.430 3.241 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(C)(C)F)C1 ZINC001021500227 800702807 /nfs/dbraw/zinc/70/28/07/800702807.db2.gz UQFYVBSYSGAZQM-GJZGRUSLSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)C2CCCCC2)C1 ZINC001023205167 800706898 /nfs/dbraw/zinc/70/68/98/800706898.db2.gz PJKJDMPTEYRUEG-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2C)C1 ZINC001023204857 800707136 /nfs/dbraw/zinc/70/71/36/800707136.db2.gz CSLVCFBQKUZWAY-MRXNPFEDSA-N 1 1 286.419 3.013 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)c2sccc2Cl)C1 ZINC001023385247 800709588 /nfs/dbraw/zinc/70/95/88/800709588.db2.gz UFUVONQCLVASGI-LLVKDONJSA-N 1 1 298.839 3.029 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)C2=CCCCCC2)C1 ZINC001023331006 800709977 /nfs/dbraw/zinc/70/99/77/800709977.db2.gz SVAYAXSTIOWHDT-INIZCTEOSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001023379676 800710509 /nfs/dbraw/zinc/71/05/09/800710509.db2.gz MHUPTPRUBIRUEQ-OWCLPIDISA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001023603688 800713154 /nfs/dbraw/zinc/71/31/54/800713154.db2.gz XYHWNSIQTBJUAX-BRWVUGGUSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C)s1 ZINC001024294356 800723011 /nfs/dbraw/zinc/72/30/11/800723011.db2.gz RBUSISREMMLKNB-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)oc1C ZINC001024326348 800724416 /nfs/dbraw/zinc/72/44/16/800724416.db2.gz KGMHYXSDGLVDFU-OAHLLOKOSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)oc1C ZINC001024326910 800724534 /nfs/dbraw/zinc/72/45/34/800724534.db2.gz ODKCKTRGJUZLSV-OAHLLOKOSA-N 1 1 290.407 3.057 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1oc(C)cc1C ZINC001024370922 800726754 /nfs/dbraw/zinc/72/67/54/800726754.db2.gz FTJMXXZGOXDEIV-HNNXBMFYSA-N 1 1 290.407 3.057 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1c(C)coc1C ZINC001024426245 800728476 /nfs/dbraw/zinc/72/84/76/800728476.db2.gz XXDWCXGAZCFSMU-HNNXBMFYSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC=CCCC1 ZINC001024506992 800729572 /nfs/dbraw/zinc/72/95/72/800729572.db2.gz QORGDGOVZACHPA-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C1CC2(CCC2)C1 ZINC001024596513 800730349 /nfs/dbraw/zinc/73/03/49/800730349.db2.gz IDHVNKVJAFIQBJ-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2CC(=C)C)cc1 ZINC001024669046 800733866 /nfs/dbraw/zinc/73/38/66/800733866.db2.gz BANOLFKNYLOPOT-GOSISDBHSA-N 1 1 298.430 3.490 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)C ZINC001025203669 800748097 /nfs/dbraw/zinc/74/80/97/800748097.db2.gz JASJAMQANSATHP-JKSUJKDBSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCCC[C@H]1[C@@H]1CCC[N@H+]1CCF ZINC001025259045 800752283 /nfs/dbraw/zinc/75/22/83/800752283.db2.gz NBHZSYUGVXVLGO-GJZGRUSLSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCCC[C@@H]1[C@H]1CCC[N@@H+]1CC ZINC001025257900 800752414 /nfs/dbraw/zinc/75/24/14/800752414.db2.gz GPFNWXYZNLHUCU-HUUCEWRRSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2=CCCC2)C1 ZINC001025380991 800758235 /nfs/dbraw/zinc/75/82/35/800758235.db2.gz NJWRPSGBYLZMAJ-RDJZCZTQSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2=CCCCCC2)C1 ZINC001025388518 800761122 /nfs/dbraw/zinc/76/11/22/800761122.db2.gz ICQNJHGHJWUPGA-DOTOQJQBSA-N 1 1 290.451 3.280 20 30 CGEDMO N#C[C@@H]1CC[N@H+](C2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC001256313957 806859565 /nfs/dbraw/zinc/85/95/65/806859565.db2.gz GHKHTNOPTDBGHE-ZDUSSCGKSA-N 1 1 289.810 3.154 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001027418435 800794697 /nfs/dbraw/zinc/79/46/97/800794697.db2.gz CQCWEFUBDOKWDN-HRCADAONSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)C(C)C)C1 ZINC001027423652 800795293 /nfs/dbraw/zinc/79/52/93/800795293.db2.gz GKPRMOGCGBPJOW-HNNXBMFYSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCCC2(C)C)C1 ZINC001027698270 800812825 /nfs/dbraw/zinc/81/28/25/800812825.db2.gz HBABHLXJRWRXTA-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(CC)o1 ZINC001027973371 800827433 /nfs/dbraw/zinc/82/74/33/800827433.db2.gz PNAMOPWEVYUYQT-AWEZNQCLSA-N 1 1 290.407 3.002 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1cccc(Cl)c1 ZINC001028281656 800840701 /nfs/dbraw/zinc/84/07/01/800840701.db2.gz NVXSZXLARAMECL-HNNXBMFYSA-N 1 1 292.810 3.110 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CNC(=O)c2ccc3occc3c2)C1 ZINC001028554498 800849575 /nfs/dbraw/zinc/84/95/75/800849575.db2.gz IGBNDFSHBOIMKX-CQSZACIVSA-N 1 1 298.386 3.061 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](CNC(=O)c2ccc3occc3c2)C1 ZINC001028555256 800850323 /nfs/dbraw/zinc/85/03/23/800850323.db2.gz UYWYOOQJVCPTDV-CQSZACIVSA-N 1 1 298.386 3.061 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](CNC(=O)c2ccc(C3CC3)cc2)C1 ZINC001028999640 800857484 /nfs/dbraw/zinc/85/74/84/800857484.db2.gz PZZZQEGPCWHWQD-HNNXBMFYSA-N 1 1 298.430 3.192 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001029419838 800868050 /nfs/dbraw/zinc/86/80/50/800868050.db2.gz LBVMEUADTFOTIM-IYBDPMFKSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC)c1ccccc1 ZINC001029593685 800871244 /nfs/dbraw/zinc/87/12/44/800871244.db2.gz FSSXXTZERJBLFC-KSZLIROESA-N 1 1 298.430 3.041 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCC2)C1 ZINC001029828541 800876466 /nfs/dbraw/zinc/87/64/66/800876466.db2.gz CPJWWHPFZRWNPF-FUHWJXTLSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[NH+]1CC(NC(=O)c2cccc(C3CCCC3)c2)C1 ZINC001031258527 800906609 /nfs/dbraw/zinc/90/66/09/800906609.db2.gz QAODDJAFHNQHKX-UHFFFAOYSA-N 1 1 298.430 3.334 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)cc(C)cc1C ZINC001032770610 800937259 /nfs/dbraw/zinc/93/72/59/800937259.db2.gz GQQRGVLMWXYLDY-IRXDYDNUSA-N 1 1 298.430 3.087 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C(F)=C2CCCC2)C1 ZINC001033008371 800949320 /nfs/dbraw/zinc/94/93/20/800949320.db2.gz HICGOOZZDSUWQT-HNNXBMFYSA-N 1 1 294.414 3.283 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C2=CCCCCC2)C1 ZINC001033033714 800950110 /nfs/dbraw/zinc/95/01/10/800950110.db2.gz UFSJBSWTXDLTNI-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)C2(C)CCCCCC2)C1 ZINC001033159350 800954425 /nfs/dbraw/zinc/95/44/25/800954425.db2.gz WYNZISXMJMSOOJ-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)C2CCC3(CC3)CC2)C1 ZINC001033269623 800957164 /nfs/dbraw/zinc/95/71/64/800957164.db2.gz KJZCTSUCFQMNRT-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2csc(Cl)c2)C1 ZINC001033471852 800966289 /nfs/dbraw/zinc/96/62/89/800966289.db2.gz OLFXQRQYQXPAMJ-GFCCVEGCSA-N 1 1 298.839 3.124 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2csc(C)c2)C1 ZINC001033500300 800966706 /nfs/dbraw/zinc/96/67/06/800966706.db2.gz IQHBKGADJXQPPD-OAHLLOKOSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C)cc2C)C1 ZINC001033633799 800970757 /nfs/dbraw/zinc/97/07/57/800970757.db2.gz XJFHHYCDLLGSMU-INIZCTEOSA-N 1 1 286.419 3.026 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C(C)C)s2)C1 ZINC001033697675 800974483 /nfs/dbraw/zinc/97/44/83/800974483.db2.gz WMDZASLOHJUMGT-CYBMUJFWSA-N 1 1 292.448 3.204 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001033693086 800975646 /nfs/dbraw/zinc/97/56/46/800975646.db2.gz OPPXOWATPKKMSO-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cscc2C)C1 ZINC001033786797 800981641 /nfs/dbraw/zinc/98/16/41/800981641.db2.gz YZKGTKPDCZZVDA-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)C2C(C)(C)C2(C)C)C1 ZINC001033785991 800982144 /nfs/dbraw/zinc/98/21/44/800982144.db2.gz PCDIPKHQUGXPQK-CQSZACIVSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)C2CC(C)(C)C2)C1 ZINC001033821710 800985165 /nfs/dbraw/zinc/98/51/65/800985165.db2.gz VSOZZRLMYSYVDR-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cscc2Cl)C1 ZINC001033862900 800986395 /nfs/dbraw/zinc/98/63/95/800986395.db2.gz ONQOMEYTSCYVCQ-LLVKDONJSA-N 1 1 298.839 3.124 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCC2(C)C)C1 ZINC001033925465 800989870 /nfs/dbraw/zinc/98/98/70/800989870.db2.gz NYZSRBNSRADLAU-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC001033950491 800990412 /nfs/dbraw/zinc/99/04/12/800990412.db2.gz OTJOTSWCCPOAEC-MRXNPFEDSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001033961415 800991426 /nfs/dbraw/zinc/99/14/26/800991426.db2.gz SLPJVAIGLKXSTN-BRWVUGGUSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)C2=CCCCCC2)C1 ZINC001034176484 801008556 /nfs/dbraw/zinc/00/85/56/801008556.db2.gz VCMUIMFKXHAXET-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)c2ccoc2CC)C1 ZINC001034185624 801009225 /nfs/dbraw/zinc/00/92/25/801009225.db2.gz TXMBGCFPWUBJRX-AWEZNQCLSA-N 1 1 290.407 3.002 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@H](NC(=O)C23CCC(CC2)C3)C1 ZINC001034278814 801014143 /nfs/dbraw/zinc/01/41/43/801014143.db2.gz ZJMKXIRVPAKAES-PQUAAJSLSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@H](NC(=O)C[C@H]2C=CCCC2)C1 ZINC001034265734 801015026 /nfs/dbraw/zinc/01/50/26/801015026.db2.gz LSORBXNCLOYBAP-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)C2(C)CCCC2)C1 ZINC001034332765 801017410 /nfs/dbraw/zinc/01/74/10/801017410.db2.gz LTNXUBRKDUMNBV-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001034354565 801020239 /nfs/dbraw/zinc/02/02/39/801020239.db2.gz MUCWIRQZFUTBNU-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@@H+](CC3CCC3)C2)C1 ZINC001034388267 801022709 /nfs/dbraw/zinc/02/27/09/801022709.db2.gz CUQDITKTMMWVQM-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC001034389057 801023352 /nfs/dbraw/zinc/02/33/52/801023352.db2.gz MYLUNNUDSDZEBQ-AWEZNQCLSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC001034389057 801023355 /nfs/dbraw/zinc/02/33/55/801023355.db2.gz MYLUNNUDSDZEBQ-AWEZNQCLSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(F)s2)C1 ZINC001034549504 801033509 /nfs/dbraw/zinc/03/35/09/801033509.db2.gz ADIDEEHNIAESSX-LBPRGKRZSA-N 1 1 296.411 3.048 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C)CC[C@@H]21 ZINC001036631815 801085556 /nfs/dbraw/zinc/08/55/56/801085556.db2.gz CBYIQRWTNXYBKV-AEFFLSMTSA-N 1 1 298.430 3.108 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C(CC)CC)CC[C@@H]21 ZINC001036652759 801086566 /nfs/dbraw/zinc/08/65/66/801086566.db2.gz XUEIATOUIZIENB-CABCVRRESA-N 1 1 298.858 3.098 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CC=C(C)C)C1 ZINC001036788779 801089439 /nfs/dbraw/zinc/08/94/39/801089439.db2.gz HFUKDLMJKCDDHJ-CVEARBPZSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCC(=C)C)C1 ZINC001036788819 801090491 /nfs/dbraw/zinc/09/04/91/801090491.db2.gz HVHSTFUCBOUVQB-CVEARBPZSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)C3(C)CCC3)CC[C@H]21 ZINC001036792610 801091092 /nfs/dbraw/zinc/09/10/92/801091092.db2.gz RSMWPUYNWFKAFX-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)c1sc(C)cc1C ZINC001038301981 801123825 /nfs/dbraw/zinc/12/38/25/801123825.db2.gz TWZUOYCSNIXHPU-AWEZNQCLSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(CCC)cc1 ZINC001038644049 801130747 /nfs/dbraw/zinc/13/07/47/801130747.db2.gz OWAKZZQVXJRUAT-QGZVFWFLSA-N 1 1 286.419 3.019 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)cc(C)c1 ZINC001038965833 801137578 /nfs/dbraw/zinc/13/75/78/801137578.db2.gz ORUJSSQMHDIONS-KRWDZBQOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)c1coc2ccccc12 ZINC001039077271 801146183 /nfs/dbraw/zinc/14/61/83/801146183.db2.gz QMYCJYKQWUGQJU-AWEZNQCLSA-N 1 1 298.386 3.203 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C=C(C)C)CC2)C1 ZINC001039106369 801147902 /nfs/dbraw/zinc/14/79/02/801147902.db2.gz RNFYDKQTKBPCAX-QGZVFWFLSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCC2CC2)C1 ZINC001039195795 801153074 /nfs/dbraw/zinc/15/30/74/801153074.db2.gz NEAMQJKGVLPIPC-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC2(C)CC2)C1 ZINC001039230366 801154909 /nfs/dbraw/zinc/15/49/09/801154909.db2.gz QJJMFDPOBPKJHY-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC(C)(C)C ZINC001039331446 801159357 /nfs/dbraw/zinc/15/93/57/801159357.db2.gz MUEYVTMOADCORP-CABCVRRESA-N 1 1 278.440 3.064 20 30 CGEDMO C=C1CC(C)(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CCCC)C1 ZINC001039906188 801168337 /nfs/dbraw/zinc/16/83/37/801168337.db2.gz ILPQEWRAYAXMQL-IYBDPMFKSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)CC3CCC3)C2)C1 ZINC001040136207 801173529 /nfs/dbraw/zinc/17/35/29/801173529.db2.gz FSYOZWDKWALRDS-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@]2(CCN(C(=O)/C(C)=C/C)C2)C1 ZINC001040144155 801173842 /nfs/dbraw/zinc/17/38/42/801173842.db2.gz CRBYEBWMTVITOD-JILDMTJUSA-N 1 1 296.842 3.020 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@]2(CCN(C(=O)/C(C)=C/C)C2)C1 ZINC001040144155 801173845 /nfs/dbraw/zinc/17/38/45/801173845.db2.gz CRBYEBWMTVITOD-JILDMTJUSA-N 1 1 296.842 3.020 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)CC3CCC3)C2)C1 ZINC001040136680 801174070 /nfs/dbraw/zinc/17/40/70/801174070.db2.gz IYDMQNQAKWAJIZ-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)C(C)(C)C)C2)C1 ZINC001041407390 801190092 /nfs/dbraw/zinc/19/00/92/801190092.db2.gz HDWLRRZTRZFCAQ-CRAIPNDOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3)C[C@@H]21 ZINC001041907355 801195305 /nfs/dbraw/zinc/19/53/05/801195305.db2.gz UMIMAKHXMJILLR-AEFFLSMTSA-N 1 1 298.430 3.189 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3C)C[C@@H]21 ZINC001041916944 801197287 /nfs/dbraw/zinc/19/72/87/801197287.db2.gz PYVYKLPGZNRDSB-AEFFLSMTSA-N 1 1 298.430 3.108 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)C3(CC)CCCC3)C[C@@H]21 ZINC001042292795 801204532 /nfs/dbraw/zinc/20/45/32/801204532.db2.gz XLMSIHFUCQZOPG-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[NH+]1CC(N(C)C(=O)c2ccc3ccccc3c2)C1 ZINC001044225474 801232616 /nfs/dbraw/zinc/23/26/16/801232616.db2.gz TYMMUDGSLVFGSB-UHFFFAOYSA-N 1 1 294.398 3.172 20 30 CGEDMO C=C1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CCC)CC1 ZINC001045840289 801288634 /nfs/dbraw/zinc/28/86/34/801288634.db2.gz OYNFMNOMDYXWOR-SJORKVTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C)C(C)C)C2 ZINC001045970474 801297311 /nfs/dbraw/zinc/29/73/11/801297311.db2.gz GEKZFZRXMRUADE-WMZOPIPTSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)c2cc(C)sc2C)C1 ZINC001046465069 801311492 /nfs/dbraw/zinc/31/14/92/801311492.db2.gz WGVSUVDZOHBFTI-INIZCTEOSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(C(C)C)c2)C1 ZINC001046748903 801321890 /nfs/dbraw/zinc/32/18/90/801321890.db2.gz BBAKWCPGFSGHKX-GOSISDBHSA-N 1 1 286.419 3.190 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccoc2CCC)C1 ZINC001046767757 801323249 /nfs/dbraw/zinc/32/32/49/801323249.db2.gz QGDINISMEFQAPM-QGZVFWFLSA-N 1 1 290.407 3.002 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C)cc2C)C1 ZINC001046815408 801326140 /nfs/dbraw/zinc/32/61/40/801326140.db2.gz VMTQRGUQWWNDKX-SFHVURJKSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001046861726 801330286 /nfs/dbraw/zinc/33/02/86/801330286.db2.gz WXNJEBRCNJRMOM-QAPCUYQASA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001046861725 801330749 /nfs/dbraw/zinc/33/07/49/801330749.db2.gz WXNJEBRCNJRMOM-MAUKXSAKSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@@H+](C[C@@H](C)CC)C[C@@H]2C1 ZINC001048976942 801354812 /nfs/dbraw/zinc/35/48/12/801354812.db2.gz VLLBMFVLBAJDTI-HRCADAONSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)C1CC1 ZINC001049403690 801369670 /nfs/dbraw/zinc/36/96/70/801369670.db2.gz JZAFYYBBECTFTI-HYVNUMGLSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)C(=C)Cl ZINC001049500175 801375863 /nfs/dbraw/zinc/37/58/63/801375863.db2.gz CXTMEJNCMRIXCM-KGLIPLIRSA-N 1 1 296.842 3.016 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CCC1 ZINC001049643493 801380664 /nfs/dbraw/zinc/38/06/64/801380664.db2.gz DTNVCEJPDLKIKO-JKSUJKDBSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1(CC)CCC1 ZINC001049662953 801382912 /nfs/dbraw/zinc/38/29/12/801382912.db2.gz KGSFTBWHKAIPOK-HOTGVXAUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C)cc1 ZINC001049860438 801391216 /nfs/dbraw/zinc/39/12/16/801391216.db2.gz BAKQKSYWAXLONN-ZWKOTPCHSA-N 1 1 298.430 3.250 20 30 CGEDMO C=C[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC)c1ccccc1 ZINC001049907639 801393881 /nfs/dbraw/zinc/39/38/81/801393881.db2.gz DNASCOWJQQNCNA-RCCFBDPRSA-N 1 1 298.430 3.041 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C)C(C)C)[C@@H]2C1 ZINC001050156292 801399180 /nfs/dbraw/zinc/39/91/80/801399180.db2.gz OMGWRCQAVMEPMC-YESZJQIVSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(C)cc3)[C@@H]2C1 ZINC001050189311 801400940 /nfs/dbraw/zinc/40/09/40/801400940.db2.gz AKAYETFUGGBTIT-ZWKOTPCHSA-N 1 1 298.430 3.108 20 30 CGEDMO C=C(C)CC[N@H+]1CCc2c(CNC(=O)C3CC3)cccc2C1 ZINC001051274891 801417083 /nfs/dbraw/zinc/41/70/83/801417083.db2.gz MMFVOUSHZFOVKT-UHFFFAOYSA-N 1 1 298.430 3.037 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2cccs2)CC1 ZINC001052171512 801423289 /nfs/dbraw/zinc/42/32/89/801423289.db2.gz MSSWYLUXVDNHAA-CQSZACIVSA-N 1 1 292.448 3.299 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)o2)CC1 ZINC001052208524 801427152 /nfs/dbraw/zinc/42/71/52/801427152.db2.gz LBEGUYHWNXMSEE-GFCCVEGCSA-N 1 1 296.798 3.093 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cscc2C)CC1 ZINC001052279892 801427925 /nfs/dbraw/zinc/42/79/25/801427925.db2.gz LROZMECGOOULIM-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2sccc2F)CC1 ZINC001052360169 801432338 /nfs/dbraw/zinc/43/23/38/801432338.db2.gz ITSNHUPTSTVVSX-GFCCVEGCSA-N 1 1 296.411 3.048 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC=CCCC2)CC1 ZINC001052485693 801436651 /nfs/dbraw/zinc/43/66/51/801436651.db2.gz BVURXGMABMDFSL-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC23CC3)CC1 ZINC001052486946 801437135 /nfs/dbraw/zinc/43/71/35/801437135.db2.gz QTSUYXQEDKRQHL-JKSUJKDBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C2(C)CCC2)CC1 ZINC001052629851 801441668 /nfs/dbraw/zinc/44/16/68/801441668.db2.gz SPAKVURCXDTQTB-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C2CCC(F)CC2)CC1 ZINC001052683387 801447565 /nfs/dbraw/zinc/44/75/65/801447565.db2.gz DSKNSHXYDXHVKO-UYSNPLJNSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC001052694226 801449347 /nfs/dbraw/zinc/44/93/47/801449347.db2.gz QKQDFGAWPBEZBM-QLFBSQMISA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccc(F)s2)CC1 ZINC001052969700 801459500 /nfs/dbraw/zinc/45/95/00/801459500.db2.gz RJWBYIIUCZUENM-LBPRGKRZSA-N 1 1 296.411 3.048 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC)C1 ZINC001053056118 801464168 /nfs/dbraw/zinc/46/41/68/801464168.db2.gz BHNDPVOVILZZHM-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C=C(C)C)C1 ZINC001053061285 801465679 /nfs/dbraw/zinc/46/56/79/801465679.db2.gz PGPUZIVBDHZKAP-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C(C)C)C1 ZINC001053073872 801467109 /nfs/dbraw/zinc/46/71/09/801467109.db2.gz YSILZINZDISJCR-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C(C)C)C1 ZINC001053073876 801467673 /nfs/dbraw/zinc/46/76/73/801467673.db2.gz YSILZINZDISJCR-IRXDYDNUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](F)CC)C2 ZINC001054176033 801477735 /nfs/dbraw/zinc/47/77/35/801477735.db2.gz ALYNHTBTBPMDLV-WBVHZDCISA-N 1 1 296.430 3.015 20 30 CGEDMO C=C1CCC(C(=O)NCc2ccc3c(c2)C[N@@H+](CC)C3)CC1 ZINC001054279673 801484080 /nfs/dbraw/zinc/48/40/80/801484080.db2.gz MGKCUOVCCLUANP-UHFFFAOYSA-N 1 1 298.430 3.385 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccoc2C)CC[C@@H]1C ZINC001071343001 801530356 /nfs/dbraw/zinc/53/03/56/801530356.db2.gz QSUWKTYARPXCFC-ZFWWWQNUSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C2=CCCCCC2)CC[C@H]1C ZINC001071457997 801535781 /nfs/dbraw/zinc/53/57/81/801535781.db2.gz OVHVMYALXWPLOM-WBVHZDCISA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2c(C)coc2C)CC[C@H]1C ZINC001071475972 801538293 /nfs/dbraw/zinc/53/82/93/801538293.db2.gz CKNOAPBFICHMJS-HIFRSBDPSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C23CCC(CC2)C3)CC[C@H]1C ZINC001071612256 801542457 /nfs/dbraw/zinc/54/24/57/801542457.db2.gz DWHLQBSUBUGNPR-JBCIKUTRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C2CC3(CCC3)C2)CC[C@@H]1C ZINC001071743268 801549793 /nfs/dbraw/zinc/54/97/93/801549793.db2.gz YMJSTTIPVVSXTQ-GOEBONIOSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](C/C=C\Cl)C2)C1 ZINC001071802834 801553880 /nfs/dbraw/zinc/55/38/80/801553880.db2.gz CGXUEIPXJLAYTG-WREBYIDWSA-N 1 1 296.842 3.064 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[C@H](C)[N@H+](C/C=C\Cl)C2)C1 ZINC001071802834 801553884 /nfs/dbraw/zinc/55/38/84/801553884.db2.gz CGXUEIPXJLAYTG-WREBYIDWSA-N 1 1 296.842 3.064 20 30 CGEDMO C=Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC(=C)C)C2)cc1 ZINC001071828299 801554719 /nfs/dbraw/zinc/55/47/19/801554719.db2.gz MNUJPPPPGUBROF-CRAIPNDOSA-N 1 1 298.430 3.488 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C2(F)CCCCC2)CC[C@H]1C ZINC001071963743 801559522 /nfs/dbraw/zinc/55/95/22/801559522.db2.gz IIHQJVBPRGCAJW-CABCVRRESA-N 1 1 296.430 3.204 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C3CC3)cc2)CC[C@H]1C ZINC001072088632 801563372 /nfs/dbraw/zinc/56/33/72/801563372.db2.gz NYBOVQHKRFYOKR-KDOFPFPSSA-N 1 1 298.430 3.333 20 30 CGEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)c3cccc(C)c3C)C2)C1 ZINC001073398530 801579589 /nfs/dbraw/zinc/57/95/89/801579589.db2.gz PPBSBAHLLNXXLA-UHFFFAOYSA-N 1 1 298.430 3.027 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC)CC2)CC1 ZINC001075443540 801601617 /nfs/dbraw/zinc/60/16/17/801601617.db2.gz SVERFYXUERQVDF-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)CC)C[C@H]2C)CC1 ZINC001080384502 801651888 /nfs/dbraw/zinc/65/18/88/801651888.db2.gz ATIOYBDDLZEKNQ-YSVLISHTSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2csc(C)c2)C1 ZINC001080619863 801653794 /nfs/dbraw/zinc/65/37/94/801653794.db2.gz KCUDTKMRBSKYGW-IUODEOHRSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001080754432 801653902 /nfs/dbraw/zinc/65/39/02/801653902.db2.gz LQXSMYASWHSCTN-BFYDXBDKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC(CC)CC)C[C@H]21 ZINC001084578253 801667184 /nfs/dbraw/zinc/66/71/84/801667184.db2.gz RYEQQMBENSKYPF-HZPDHXFCSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C(C)(C)C)[C@@H]2C1 ZINC001084578822 801669693 /nfs/dbraw/zinc/66/96/93/801669693.db2.gz ZHHNJDFNFUJRHQ-HUUCEWRRSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC1(C)C ZINC001085773369 801703641 /nfs/dbraw/zinc/70/36/41/801703641.db2.gz ATIKUYDJTSUZTG-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)c(C)s1 ZINC001085961007 801714251 /nfs/dbraw/zinc/71/42/51/801714251.db2.gz UWNHHZDJZNNAJL-CQSZACIVSA-N 1 1 292.448 3.087 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)c(C)s1 ZINC001085961007 801714257 /nfs/dbraw/zinc/71/42/57/801714257.db2.gz UWNHHZDJZNNAJL-CQSZACIVSA-N 1 1 292.448 3.087 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C=C2CCCCC2)[C@H]1CC ZINC001087515942 801754033 /nfs/dbraw/zinc/75/40/33/801754033.db2.gz GIJQBOQMWMTBDE-DLBZAZTESA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccsc2C)[C@H]1CC ZINC001087566790 801756482 /nfs/dbraw/zinc/75/64/82/801756482.db2.gz FNQKUHWZGXZQMN-LSDHHAIUSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC23CC3)[C@H]1CC ZINC001087623187 801758722 /nfs/dbraw/zinc/75/87/22/801758722.db2.gz ULNSKEADFWHJSV-OWCLPIDISA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2sc(C)cc2C)[C@H]1CC ZINC001087587472 801759807 /nfs/dbraw/zinc/75/98/07/801759807.db2.gz PWXSHDQVXRBDID-UONOGXRCSA-N 1 1 292.448 3.134 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cscc2Cl)[C@H]1CC ZINC001087613985 801760180 /nfs/dbraw/zinc/76/01/80/801760180.db2.gz UTBLTJUECSMVTQ-QWHCGFSZSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2occc2C(C)C)[C@H]1CC ZINC001087698954 801763860 /nfs/dbraw/zinc/76/38/60/801763860.db2.gz VGJSVHKMANEKIP-LSDHHAIUSA-N 1 1 290.407 3.172 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](CCCF)[C@@H]2CC)CC1 ZINC001087713912 801764064 /nfs/dbraw/zinc/76/40/64/801764064.db2.gz SKFWBFTZSGXHOX-JKSUJKDBSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2occc2Cl)[C@H]1CC ZINC001087713712 801764459 /nfs/dbraw/zinc/76/44/59/801764459.db2.gz DPUHRTNOSFCOST-QWHCGFSZSA-N 1 1 296.798 3.092 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](CC(C)C)[C@@H]2CC)CC1 ZINC001087711956 801764789 /nfs/dbraw/zinc/76/47/89/801764789.db2.gz HUZDKWSLYKSXKB-DLBZAZTESA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C(F)=C2CCCC2)[C@H]1C ZINC001088521365 801798864 /nfs/dbraw/zinc/79/88/64/801798864.db2.gz JLSSARZCNGJCOO-HIFRSBDPSA-N 1 1 294.414 3.329 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C(C)=C2CCCC2)[C@H]1C ZINC001088517655 801799450 /nfs/dbraw/zinc/79/94/50/801799450.db2.gz WJCSSOICWITSQD-WBVHZDCISA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2sccc2Cl)[C@H]1C ZINC001088585064 801802917 /nfs/dbraw/zinc/80/29/17/801802917.db2.gz BNUCTBIHRGTDSO-PWSUYJOCSA-N 1 1 298.839 3.170 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC)[C@H]1C ZINC001088825540 801809244 /nfs/dbraw/zinc/80/92/44/801809244.db2.gz MTLLGYYPSVDSGV-PBHICJAKSA-N 1 1 286.419 3.018 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2c(C)csc2Cl)[C@H]1C ZINC001089007491 801816838 /nfs/dbraw/zinc/81/68/38/801816838.db2.gz IUKHGCISLUSDMQ-MNOVXSKESA-N 1 1 298.839 3.089 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)cc(C)c2)[C@H]1C ZINC001089003725 801817186 /nfs/dbraw/zinc/81/71/86/801817186.db2.gz GLPKZUJDLIOHGY-WBVHZDCISA-N 1 1 286.419 3.072 20 30 CGEDMO C=C1CCC(C(=O)N2CCCC[C@H]2C[N@H+](C)C(C)C)CC1 ZINC001089220714 801827236 /nfs/dbraw/zinc/82/72/36/801827236.db2.gz QPSPOSCFLWGTLJ-KRWDZBQOSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC2(C)C)CC(C)(C)C1 ZINC001089362282 801835872 /nfs/dbraw/zinc/83/58/72/801835872.db2.gz FGYVXVSBCHMLQG-LSDHHAIUSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccccc1 ZINC001089600529 801844740 /nfs/dbraw/zinc/84/47/40/801844740.db2.gz GBZDKQCVOLVTKJ-MRXNPFEDSA-N 1 1 286.419 3.093 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)CC(C)(C)C)C[C@]2(C)C1 ZINC001091486902 801857340 /nfs/dbraw/zinc/85/73/40/801857340.db2.gz INPSQYBIVXUULJ-QAPCUYQASA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=CCCCCC1)C2 ZINC001095353381 801882725 /nfs/dbraw/zinc/88/27/25/801882725.db2.gz RTIZUBVBSDNNBF-IKGGRYGDSA-N 1 1 288.435 3.175 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC(C)=C(C)C1)C2 ZINC001097127974 801899846 /nfs/dbraw/zinc/89/98/46/801899846.db2.gz LDLNIFUOGIFPQL-VQHPVUNQSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)c1cccc(C)c1)C2 ZINC001097946292 801905482 /nfs/dbraw/zinc/90/54/82/801905482.db2.gz OHMBWQOIZBVCQV-DDBAPUKQSA-N 1 1 298.430 3.006 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCCC1(C)C)C2 ZINC001098474873 801908531 /nfs/dbraw/zinc/90/85/31/801908531.db2.gz ORTXSVTZGJMZEE-QXSJWSMHSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(C)CC=C(C)CC1)C2 ZINC001098451453 801909002 /nfs/dbraw/zinc/90/90/02/801909002.db2.gz JLTWEHKMOGZPMK-CBZIJGRNSA-N 1 1 288.435 3.030 20 30 CGEDMO C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C=C(C)C ZINC001098880255 801917833 /nfs/dbraw/zinc/91/78/33/801917833.db2.gz MZUVYWTVOJJKCN-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCC ZINC001099171304 801929504 /nfs/dbraw/zinc/92/95/04/801929504.db2.gz OXDRVJGFBACUIJ-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C)C(CC)CC)C[C@]2(C)C1 ZINC001101283976 801975155 /nfs/dbraw/zinc/97/51/55/801975155.db2.gz GHRUSLXMFDEYIH-KYJSFNMBSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1C[N@@H+](CC/C=C\CCC)C[C@H]1C ZINC001101805387 801992690 /nfs/dbraw/zinc/99/26/90/801992690.db2.gz PYGMAYDKAXMZCJ-MGSINWNPSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)CCCC)[C@H](C)C1 ZINC001101934711 801995422 /nfs/dbraw/zinc/99/54/22/801995422.db2.gz JFJZGMFJKQJSCZ-ARFHVFGLSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)C(C)C)[C@H](C)C1 ZINC001102000349 801997399 /nfs/dbraw/zinc/99/73/99/801997399.db2.gz LVGXLXPYPLMRSX-HZPDHXFCSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)CC(=C)C)[C@H](C)C1 ZINC001102261055 802002198 /nfs/dbraw/zinc/00/21/98/802002198.db2.gz MJARQNDLNRWUHJ-BRWVUGGUSA-N 1 1 292.467 3.239 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](CNC(=O)CC2CC(C)(C)C2)[C@H](C)C1 ZINC001102272207 802003612 /nfs/dbraw/zinc/00/36/12/802003612.db2.gz NEPDSWIHAJRMOT-GDBMZVCRSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCCCC(=O)NC[C@@H]1C[N@@H+]([C@@H](C)CCC=C)C[C@H]1C ZINC001102297351 802003801 /nfs/dbraw/zinc/00/38/01/802003801.db2.gz VUWLESKMPBRBRP-IXDOHACOSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCCCC(=O)NC[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C ZINC001102297012 802004615 /nfs/dbraw/zinc/00/46/15/802004615.db2.gz DYXZUJROIKHFHO-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCC(=O)NCC[C@@H]1C[N@@H+]([C@H](C)CCC=C)C[C@H]1C ZINC001102762409 802020171 /nfs/dbraw/zinc/02/01/71/802020171.db2.gz ZINGVBZJVZSUCD-BRWVUGGUSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)C(C)C)C1 ZINC001102765902 802020639 /nfs/dbraw/zinc/02/06/39/802020639.db2.gz KUUFYNVOSUOGAT-BRWVUGGUSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2=CCCC2)C1 ZINC001102858389 802024302 /nfs/dbraw/zinc/02/43/02/802024302.db2.gz GKLLSTRYJDTJTC-NVXWUHKLSA-N 1 1 290.451 3.137 20 30 CGEDMO C#CCCCCCC(=O)NCC[C@@H]1C[N@@H+](CCC)C[C@H]1C ZINC001103312020 802029813 /nfs/dbraw/zinc/02/98/13/802029813.db2.gz XEMAFQHEHURHFR-IAGOWNOFSA-N 1 1 292.467 3.054 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NCC[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC001103350453 802033975 /nfs/dbraw/zinc/03/39/75/802033975.db2.gz UAXVWRBEQSYIAF-OWCLPIDISA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)C(C)C)C1 ZINC001103489007 802035298 /nfs/dbraw/zinc/03/52/98/802035298.db2.gz CBJYHQDXFSUPII-BRWVUGGUSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CCC1)CC2 ZINC001107327201 802085512 /nfs/dbraw/zinc/08/55/12/802085512.db2.gz SJJGKCDAPLHINX-SJLPKXTDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)C(C)(C)C)CCC[C@@H]12 ZINC001107450900 802088702 /nfs/dbraw/zinc/08/87/02/802088702.db2.gz PCQCQOGNLHRTSE-IIDMSEBBSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)C(C)C)CCC[C@@H]12 ZINC001107567341 802090693 /nfs/dbraw/zinc/09/06/93/802090693.db2.gz RRAYBCYCGHNCHK-JFIYKMOQSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C=C(C)C)C2 ZINC001108897131 802103074 /nfs/dbraw/zinc/10/30/74/802103074.db2.gz KLXXNLCMLYVJPD-FZKCQIBNSA-N 1 1 276.424 3.029 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC1CCC1)C2 ZINC001109130423 802109516 /nfs/dbraw/zinc/10/95/16/802109516.db2.gz SRJCJPOKPWFRIU-IKGGRYGDSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=CCCC1)C2 ZINC001109143283 802109878 /nfs/dbraw/zinc/10/98/78/802109878.db2.gz JJHPWHRLLAVNQW-SIXLDLHFSA-N 1 1 288.435 3.173 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1 ZINC001109343382 802114849 /nfs/dbraw/zinc/11/48/49/802114849.db2.gz WPGZBPIDLUDCMC-PMPSAXMXSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1 ZINC001109597260 802117112 /nfs/dbraw/zinc/11/71/12/802117112.db2.gz FQVITCGCLMHSCA-PMPSAXMXSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(C)C ZINC001109634303 802120243 /nfs/dbraw/zinc/12/02/43/802120243.db2.gz JORPOWSKJCBCRP-YVSFHVDLSA-N 1 1 290.451 3.276 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@H](C)F ZINC001109769570 802125516 /nfs/dbraw/zinc/12/55/16/802125516.db2.gz JXKLNJHOJYQMKB-XGUBFFRZSA-N 1 1 296.430 3.058 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)C1CC1)C2 ZINC001110168720 802132317 /nfs/dbraw/zinc/13/23/17/802132317.db2.gz ZSVYWJICORVUQP-ORQFMDKSSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(CC)CC)C2 ZINC001110307600 802136515 /nfs/dbraw/zinc/13/65/15/802136515.db2.gz IQGQZNAAFHNZOX-DZUCGIPZSA-N 1 1 292.467 3.499 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)/C=C(/C)C1CC1)C2 ZINC001110340467 802137655 /nfs/dbraw/zinc/13/76/55/802137655.db2.gz NBOLKVCSCRIZBB-UKHAXTBBSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](C)CC ZINC001110603442 802145840 /nfs/dbraw/zinc/14/58/40/802145840.db2.gz DKVDDDUHVJDMJR-JJXSEGSLSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC(=C)C)C2 ZINC001110610839 802147527 /nfs/dbraw/zinc/14/75/27/802147527.db2.gz UKZFCPVSVVQXOT-OAGGEKHMSA-N 1 1 276.424 3.030 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1 ZINC001110897747 802148128 /nfs/dbraw/zinc/14/81/28/802148128.db2.gz VBILVGATQVJRSE-ZACQAIPSSA-N 1 1 298.430 3.120 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(C)C ZINC001110985381 802153066 /nfs/dbraw/zinc/15/30/66/802153066.db2.gz XEOVYZOSTZCVRV-XLMAVXFVSA-N 1 1 290.451 3.276 20 30 CGEDMO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=C)Cl)C2 ZINC001111762930 802169207 /nfs/dbraw/zinc/16/92/07/802169207.db2.gz VVBFPXVMGMSCFU-HOCLYGCPSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=C)Cl)C2 ZINC001111762930 802169209 /nfs/dbraw/zinc/16/92/09/802169209.db2.gz VVBFPXVMGMSCFU-HOCLYGCPSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC[NH+](CC2=CCCCC2)CC1 ZINC001113247100 802208922 /nfs/dbraw/zinc/20/89/22/802208922.db2.gz ZSXCLUMKTOEHEY-INIZCTEOSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCCC[NH+]1CCN(C(=O)c2cc(Cl)cs2)CC1 ZINC001113403945 802217967 /nfs/dbraw/zinc/21/79/67/802217967.db2.gz SAIYAUNUBDKPDJ-UHFFFAOYSA-N 1 1 298.839 3.126 20 30 CGEDMO C#C[C@@H]1CCCN(c2ccc([C@@H]3CCCC[N@@H+]3CC)cn2)C1 ZINC001165135649 806971321 /nfs/dbraw/zinc/97/13/21/806971321.db2.gz GRSFVBINBQUXFM-AEFFLSMTSA-N 1 1 297.446 3.478 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)CCC(C)(C)C ZINC001115125994 802253250 /nfs/dbraw/zinc/25/32/50/802253250.db2.gz GHBCNDBSNBQDNU-WCVJEAGWSA-N 1 1 292.467 3.071 20 30 CGEDMO CC[N@@H+](Cc1cc(C)n[nH]1)[C@H](C)c1ccc(C#N)cc1 ZINC001116440106 802348762 /nfs/dbraw/zinc/34/87/62/802348762.db2.gz LCWVPXXUIINILC-CYBMUJFWSA-N 1 1 268.364 3.173 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccc(SC)cc2)C1 ZINC001116552490 802377877 /nfs/dbraw/zinc/37/78/77/802377877.db2.gz LMCMNRDFOHJONO-AWEZNQCLSA-N 1 1 263.406 3.185 20 30 CGEDMO C=C(C)CNC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC001116674668 802395592 /nfs/dbraw/zinc/39/55/92/802395592.db2.gz DXYKRUOUWAUJIP-QGZVFWFLSA-N 1 1 286.419 3.042 20 30 CGEDMO CCCCCCC[C@@H](CCC)n1cnc(C[NH3+])n1 ZINC001172501280 808357096 /nfs/dbraw/zinc/35/70/96/808357096.db2.gz GEHCNZLSIPDKSK-CYBMUJFWSA-N 1 1 252.406 3.439 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2cccc3ccoc32)C1 ZINC001117785008 802494206 /nfs/dbraw/zinc/49/42/06/802494206.db2.gz VGLLJGFDHYOQGM-HNNXBMFYSA-N 1 1 257.333 3.210 20 30 CGEDMO C=CCC1(c2nc([C@H]([NH3+])c3ccccc3)no2)CCC1 ZINC001118237267 802541495 /nfs/dbraw/zinc/54/14/95/802541495.db2.gz SHKSKHRYBLKQFX-CYBMUJFWSA-N 1 1 269.348 3.116 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@]2(CCC[C@H]2C(=O)NC(C)(C)C)C1 ZINC001277758857 809093715 /nfs/dbraw/zinc/09/37/15/809093715.db2.gz ZTHUSORPECZABU-MAUKXSAKSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC001118639634 802591535 /nfs/dbraw/zinc/59/15/35/802591535.db2.gz RPDVWMIGMBGARL-CYBMUJFWSA-N 1 1 281.783 3.131 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001118883948 802614595 /nfs/dbraw/zinc/61/45/95/802614595.db2.gz OIRNVWAIHTYITH-MRXNPFEDSA-N 1 1 268.404 3.132 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+]2CCF)C1 ZINC001120393489 802743748 /nfs/dbraw/zinc/74/37/48/802743748.db2.gz VPYKSDCSOKLDFM-HOTGVXAUSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCC(=C)C)C1 ZINC001120393737 802743786 /nfs/dbraw/zinc/74/37/86/802743786.db2.gz XDRNYOIMYOZNAC-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO N#Cc1ccc2nc(N[C@@H]3CC[N@H+]4CCCC[C@@H]34)ccc2c1 ZINC001120804846 802779553 /nfs/dbraw/zinc/77/95/53/802779553.db2.gz ULGWXWUHMNKZMP-SJORKVTESA-N 1 1 292.386 3.145 20 30 CGEDMO C=C(CC)C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001123779826 802969753 /nfs/dbraw/zinc/96/97/53/802969753.db2.gz JMAOHZZHFFGEGD-IBGZPJMESA-N 1 1 298.430 3.077 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@H](NC(=O)C(C)C)CC[C@H]1C ZINC001131808306 803347442 /nfs/dbraw/zinc/34/74/42/803347442.db2.gz JUIZUPXFFISSQF-HZPDHXFCSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@H+]1C[C@H](NC(=O)CCCC)CC[C@H]1C ZINC001131813910 803347621 /nfs/dbraw/zinc/34/76/21/803347621.db2.gz RVJLMNVRZHTBHI-HUUCEWRRSA-N 1 1 266.429 3.112 20 30 CGEDMO C=CCCC[N@H+]1C[C@H](NC(=O)CSCCC)CC[C@H]1C ZINC001131903550 803356047 /nfs/dbraw/zinc/35/60/47/803356047.db2.gz IWPPVIPDHQUACD-HUUCEWRRSA-N 1 1 298.496 3.065 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)CC2CCC2)CC[C@@H]1C ZINC001131943815 803361019 /nfs/dbraw/zinc/36/10/19/803361019.db2.gz VIARJUWAKWCNQY-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCC2CC2)C1 ZINC001132217997 803380074 /nfs/dbraw/zinc/38/00/74/803380074.db2.gz KFUHJSMSTRULRB-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCC(C)C)C1 ZINC001132248460 803386866 /nfs/dbraw/zinc/38/68/66/803386866.db2.gz GJTZUOZBVIABQH-JKSUJKDBSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCC(C)(C)C)CC[C@@H]1C ZINC001132370825 803397765 /nfs/dbraw/zinc/39/77/65/803397765.db2.gz BXABPZMLYVWTSM-GJZGRUSLSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)CC(CC)CC)CC[C@@H]1C ZINC001132392569 803398736 /nfs/dbraw/zinc/39/87/36/803398736.db2.gz MNQFYFMFOGAIEK-GOEBONIOSA-N 1 1 280.456 3.358 20 30 CGEDMO C#CC[N@@H+]1C[C@H](NC(=O)C(C)(C)CC(C)(C)C)CC[C@@H]1C ZINC001132505378 803409791 /nfs/dbraw/zinc/40/97/91/803409791.db2.gz RVVOYBMMVOACMG-LSDHHAIUSA-N 1 1 292.467 3.051 20 30 CGEDMO C#CC[N@H+]1C[C@H](NC(=O)C(C)(C)CC(C)(C)C)CC[C@@H]1C ZINC001132505378 803409789 /nfs/dbraw/zinc/40/97/89/803409789.db2.gz RVVOYBMMVOACMG-LSDHHAIUSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CCF)C2)CCCC1 ZINC001132545555 803412884 /nfs/dbraw/zinc/41/28/84/803412884.db2.gz CHBLITYXSOKMPX-HUUCEWRRSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CCF)C2)CCCC1 ZINC001132545555 803412896 /nfs/dbraw/zinc/41/28/96/803412896.db2.gz CHBLITYXSOKMPX-HUUCEWRRSA-N 1 1 296.430 3.062 20 30 CGEDMO COc1ccc(-c2c[nH+]c(N(C)C)cc2C)cc1C#N ZINC001244709323 803508684 /nfs/dbraw/zinc/50/86/84/803508684.db2.gz UAEFOEUPJZYZKA-UHFFFAOYSA-N 1 1 267.332 3.003 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cncc(Cl)c1 ZINC001136995570 803668861 /nfs/dbraw/zinc/66/88/61/803668861.db2.gz RWQYFHRSEFNFHM-OJNYZHBWSA-N 1 1 261.756 3.002 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cncc(Cl)c1 ZINC001136995570 803668863 /nfs/dbraw/zinc/66/88/63/803668863.db2.gz RWQYFHRSEFNFHM-OJNYZHBWSA-N 1 1 261.756 3.002 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)nc1)C1CCCCC1 ZINC001137039924 803675068 /nfs/dbraw/zinc/67/50/68/803675068.db2.gz TXOFVYXEOMNQEG-UHFFFAOYSA-N 1 1 260.381 3.411 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2c[nH]c3c2cccc3F)C1 ZINC001137057889 803677539 /nfs/dbraw/zinc/67/75/39/803677539.db2.gz VMZIRFZEJURORQ-LBPRGKRZSA-N 1 1 256.324 3.152 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]3C[C@@H]32)c(Br)c1 ZINC001137639641 803747725 /nfs/dbraw/zinc/74/77/25/803747725.db2.gz FZTPVEBNWYGGNA-RISCZKNCSA-N 1 1 291.192 3.305 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]3C[C@@H]32)c(Br)c1 ZINC001137639641 803747730 /nfs/dbraw/zinc/74/77/30/803747730.db2.gz FZTPVEBNWYGGNA-RISCZKNCSA-N 1 1 291.192 3.305 20 30 CGEDMO CC[C@H]1CCC[N@@H+](Cc2ccc(OC)cc2C#N)C1 ZINC001137704580 803760177 /nfs/dbraw/zinc/76/01/77/803760177.db2.gz LYHVHWZNYSLQRA-ZDUSSCGKSA-N 1 1 258.365 3.189 20 30 CGEDMO COc1ccc(C[N@H+]2CCCC3(CCC3)C2)c(C#N)c1 ZINC001137705826 803761530 /nfs/dbraw/zinc/76/15/30/803761530.db2.gz BTEMFQXDZSTHMF-UHFFFAOYSA-N 1 1 270.376 3.333 20 30 CGEDMO C[N@H+]1CCc2c(F)cc(-c3ccc(C#N)cc3)cc2C1 ZINC001245499336 803769827 /nfs/dbraw/zinc/76/98/27/803769827.db2.gz VPEHSRBKFAKWGN-UHFFFAOYSA-N 1 1 266.319 3.352 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2cccc3c2OC(F)(F)O3)CC1 ZINC001138068543 803848118 /nfs/dbraw/zinc/84/81/18/803848118.db2.gz INADELUGTCHGMW-NSHDSACASA-N 1 1 294.301 3.134 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2cccc3c2OC(F)(F)O3)CC1 ZINC001138068543 803848125 /nfs/dbraw/zinc/84/81/25/803848125.db2.gz INADELUGTCHGMW-NSHDSACASA-N 1 1 294.301 3.134 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC[C@H](C)CC2)cc1OC ZINC001138344133 803898119 /nfs/dbraw/zinc/89/81/19/803898119.db2.gz YFWFTYGAWOVZKH-HNNXBMFYSA-N 1 1 287.403 3.329 20 30 CGEDMO CN1CCCc2cc(C[N@@H+]3[C@@H]4CC[C@H]3C[C@H](C#N)C4)ccc21 ZINC001138356298 803900129 /nfs/dbraw/zinc/90/01/29/803900129.db2.gz JYUDYXBYWHRSPV-XGWQRUHWSA-N 1 1 295.430 3.336 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2[nH]c3ccc(F)cc3c2C)C1 ZINC001138414217 803923945 /nfs/dbraw/zinc/92/39/45/803923945.db2.gz RVXUHXKYULFMOZ-CYBMUJFWSA-N 1 1 270.351 3.461 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC001138556066 803967329 /nfs/dbraw/zinc/96/73/29/803967329.db2.gz DTKUBQRCTRXQTD-CALCHBBNSA-N 1 1 269.388 3.321 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)c1O ZINC001138625793 803983113 /nfs/dbraw/zinc/98/31/13/803983113.db2.gz SXRKTUBSOXTUBE-IUODEOHRSA-N 1 1 263.356 3.301 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2CC[C@@H](C)[C@@](C)(O)CC2)c1O ZINC001138625910 803984084 /nfs/dbraw/zinc/98/40/84/803984084.db2.gz WVUZDFMRXZFDKU-KDOFPFPSSA-N 1 1 289.419 3.104 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CCC[C@@H](CF)C2)c1O ZINC001138627749 803985041 /nfs/dbraw/zinc/98/50/41/803985041.db2.gz FHPSYUHWCJRFQK-ZDUSSCGKSA-N 1 1 263.356 3.302 20 30 CGEDMO C=CCc1cccc(C[N@H+](C)C2CCN(CC)CC2)c1O ZINC001138628778 803985524 /nfs/dbraw/zinc/98/55/24/803985524.db2.gz DSPOWHZIPIEFDT-UHFFFAOYSA-N 1 1 288.435 3.037 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1CCC(=O)[C@H](C)CC1 ZINC001138662154 803994409 /nfs/dbraw/zinc/99/44/09/803994409.db2.gz PGXBEZHZGSPLDB-OAHLLOKOSA-N 1 1 287.403 3.443 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CCC(=O)[C@H](C)CC1 ZINC001138662154 803994419 /nfs/dbraw/zinc/99/44/19/803994419.db2.gz PGXBEZHZGSPLDB-OAHLLOKOSA-N 1 1 287.403 3.443 20 30 CGEDMO C=CC[N@H+](Cc1cnc(SCC)nc1)C(C)(C)C ZINC001138658460 803995239 /nfs/dbraw/zinc/99/52/39/803995239.db2.gz REQQZJNDWOHMJH-UHFFFAOYSA-N 1 1 265.426 3.375 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CCC[C@H](CCO)C1 ZINC001138665852 803996755 /nfs/dbraw/zinc/99/67/55/803996755.db2.gz YGBVMUGTCQIAIT-MRXNPFEDSA-N 1 1 289.419 3.236 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CC[C@@](C)(O)[C@@H](C)C1 ZINC001138662399 803997256 /nfs/dbraw/zinc/99/72/56/803997256.db2.gz WYTUGHJGKSDXHG-MAUKXSAKSA-N 1 1 289.419 3.234 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(OC)c2OC)C1 ZINC001138746175 804028296 /nfs/dbraw/zinc/02/82/96/804028296.db2.gz RUJSKEOICDNRGJ-LBPRGKRZSA-N 1 1 293.794 3.202 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2OC)C1 ZINC001138746175 804028306 /nfs/dbraw/zinc/02/83/06/804028306.db2.gz RUJSKEOICDNRGJ-LBPRGKRZSA-N 1 1 293.794 3.202 20 30 CGEDMO CCCCCCCC[C@@H](O)C[NH2+]C[C@@H](N)CC(C)C ZINC001246000573 804097669 /nfs/dbraw/zinc/09/76/69/804097669.db2.gz LDGKYGZLEYRBRO-JKSUJKDBSA-N 1 1 272.477 3.061 20 30 CGEDMO CCCCCCCC[C@@H](O)CNC[C@@H]([NH3+])CC(C)C ZINC001246000573 804097680 /nfs/dbraw/zinc/09/76/80/804097680.db2.gz LDGKYGZLEYRBRO-JKSUJKDBSA-N 1 1 272.477 3.061 20 30 CGEDMO SC1CC[NH+](Cc2cscc2Br)CC1 ZINC001139351003 804179335 /nfs/dbraw/zinc/17/93/35/804179335.db2.gz ZVUVCEDADYPMPL-UHFFFAOYSA-N 1 1 292.267 3.405 20 30 CGEDMO C=CCCCC[N@@H+](C)Cc1cn(Cc2ccccc2)nn1 ZINC001139491039 804195886 /nfs/dbraw/zinc/19/58/86/804195886.db2.gz LKYYRNDFIIEKOI-UHFFFAOYSA-N 1 1 284.407 3.115 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cn(Cc2ccccc2)nn1 ZINC001139491039 804195891 /nfs/dbraw/zinc/19/58/91/804195891.db2.gz LKYYRNDFIIEKOI-UHFFFAOYSA-N 1 1 284.407 3.115 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@H]3CCC[C@H]3C2)c1 ZINC001139646287 804241325 /nfs/dbraw/zinc/24/13/25/804241325.db2.gz NPWADCICENCQTQ-KGLIPLIRSA-N 1 1 258.340 3.319 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H]2Cc2ccccn2)c1 ZINC001139651558 804242898 /nfs/dbraw/zinc/24/28/98/804242898.db2.gz PNZBKOPUIBOZKS-QGZVFWFLSA-N 1 1 295.361 3.299 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)ccc1F)C[C@@H]1Cc2ccccc2O1 ZINC001139650500 804243807 /nfs/dbraw/zinc/24/38/07/804243807.db2.gz KOZMOTHSFJYBET-INIZCTEOSA-N 1 1 296.345 3.133 20 30 CGEDMO C[N@H+](Cc1cc(C#N)ccc1F)C[C@@H]1Cc2ccccc2O1 ZINC001139650500 804243813 /nfs/dbraw/zinc/24/38/13/804243813.db2.gz KOZMOTHSFJYBET-INIZCTEOSA-N 1 1 296.345 3.133 20 30 CGEDMO CCC[N@@H+](CCOC)Cc1cccc(Cl)c1C#N ZINC001139690073 804253785 /nfs/dbraw/zinc/25/37/85/804253785.db2.gz NXPRFCXMOAAERV-UHFFFAOYSA-N 1 1 266.772 3.070 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1c[nH]c2cccc(C(=O)OC)c12 ZINC001139719375 804264227 /nfs/dbraw/zinc/26/42/27/804264227.db2.gz KPFBOYJWRDTBPF-UHFFFAOYSA-N 1 1 299.374 3.080 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1c[nH]c2cccc(C(=O)OC)c12 ZINC001139719375 804264234 /nfs/dbraw/zinc/26/42/34/804264234.db2.gz KPFBOYJWRDTBPF-UHFFFAOYSA-N 1 1 299.374 3.080 20 30 CGEDMO Cc1ccc(C[N@H+](C)Cc2ccccc2O)cc1C#N ZINC001139726174 804266932 /nfs/dbraw/zinc/26/69/32/804266932.db2.gz XEIRUGBKLAWLOJ-UHFFFAOYSA-N 1 1 266.344 3.204 20 30 CGEDMO CO[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(C)c(C#N)c3)C[C@@H]21 ZINC001139724480 804267515 /nfs/dbraw/zinc/26/75/15/804267515.db2.gz SYQBUFFHDDDEAA-BPQIPLTHSA-N 1 1 284.403 3.114 20 30 CGEDMO Cc1ccc(C[N@H+](C)C2CC(F)(F)C2)cc1C#N ZINC001139722782 804267900 /nfs/dbraw/zinc/26/79/00/804267900.db2.gz GAWUKRCHNRZULI-UHFFFAOYSA-N 1 1 250.292 3.096 20 30 CGEDMO C=CCn1cc(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)cn1 ZINC001139772580 804277303 /nfs/dbraw/zinc/27/73/03/804277303.db2.gz LIOJHPFLCVKXII-JKSUJKDBSA-N 1 1 259.397 3.224 20 30 CGEDMO C=CCn1cc(C[N@@H+]2CC=C(c3ccccc3)CC2)cn1 ZINC001139772396 804277403 /nfs/dbraw/zinc/27/74/03/804277403.db2.gz HZGNTSIGJIJMRD-UHFFFAOYSA-N 1 1 279.387 3.358 20 30 CGEDMO C=CCn1cc(C[N@H+]2Cc3ccccc3[C@@H](C)C2)cn1 ZINC001139766624 804278452 /nfs/dbraw/zinc/27/84/52/804278452.db2.gz RMOHGPDNQBHOAB-AWEZNQCLSA-N 1 1 267.376 3.188 20 30 CGEDMO CCCCCCCCCC[C@@H](C)[NH2+][C@@H]1CCNC[C@@H]1CO ZINC001246320537 804278879 /nfs/dbraw/zinc/27/88/79/804278879.db2.gz JPKJCACPFCRMTJ-KZNAEPCWSA-N 1 1 298.515 3.466 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cccc3ccncc32)no1 ZINC001212325279 815005748 /nfs/dbraw/zinc/00/57/48/815005748.db2.gz LYOVDIUSEMPFMP-HNNXBMFYSA-N 1 1 292.342 3.088 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cc(C(C)(C)C)ccn2)no1 ZINC001212326933 815005976 /nfs/dbraw/zinc/00/59/76/815005976.db2.gz AXOBRFYJQYHHCV-ZDUSSCGKSA-N 1 1 298.390 3.232 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)[C@@H](CCC)C(C)C ZINC001139869574 804304412 /nfs/dbraw/zinc/30/44/12/804304412.db2.gz LVQOAKDUJYBBRD-HNNXBMFYSA-N 1 1 268.445 3.025 20 30 CGEDMO N#Cc1cc(F)cc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)c1 ZINC001139877352 804309268 /nfs/dbraw/zinc/30/92/68/804309268.db2.gz HCCKVLXITKJRBE-GJZGRUSLSA-N 1 1 258.340 3.319 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cc3ccccc3cn2)C1 ZINC001139998810 804346946 /nfs/dbraw/zinc/34/69/46/804346946.db2.gz GPAMSLUOOHXNSD-CQSZACIVSA-N 1 1 265.360 3.360 20 30 CGEDMO C[C@@]1(F)CC[N@H+](Cc2c[nH]c3ccc(C#N)cc23)C[C@@H]1F ZINC001140111054 804379216 /nfs/dbraw/zinc/37/92/16/804379216.db2.gz XNYOUASYPTYLGL-JKSUJKDBSA-N 1 1 289.329 3.312 20 30 CGEDMO C[C@@]1(F)CC[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)C[C@@H]1F ZINC001140111054 804379226 /nfs/dbraw/zinc/37/92/26/804379226.db2.gz XNYOUASYPTYLGL-JKSUJKDBSA-N 1 1 289.329 3.312 20 30 CGEDMO C[N@H+](Cc1c[nH]c2ccc(C#N)cc12)CC1CCC1 ZINC001140113904 804380874 /nfs/dbraw/zinc/38/08/74/804380874.db2.gz GDIIUBFCTZOVSW-UHFFFAOYSA-N 1 1 253.349 3.271 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1F)C1CCOCC1 ZINC001140140025 804386128 /nfs/dbraw/zinc/38/61/28/804386128.db2.gz KAHTUDSSUGDSPI-UHFFFAOYSA-N 1 1 276.355 3.088 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2ccc(-c3ccncc3)cc2)C1 ZINC001140171792 804393065 /nfs/dbraw/zinc/39/30/65/804393065.db2.gz XOQJNEYPTHFHHE-INIZCTEOSA-N 1 1 277.371 3.484 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccncc3)cc2)C1 ZINC001140171792 804393069 /nfs/dbraw/zinc/39/30/69/804393069.db2.gz XOQJNEYPTHFHHE-INIZCTEOSA-N 1 1 277.371 3.484 20 30 CGEDMO C=CCCCCCCNC(=O)[C@@H]1CC[N@H+]1C1CCCC1 ZINC001140296142 804408545 /nfs/dbraw/zinc/40/85/45/804408545.db2.gz WLARLIXMFPOINQ-INIZCTEOSA-N 1 1 278.440 3.256 20 30 CGEDMO C=CC[NH+]1CCN(Cc2ccc(-c3ccccn3)cc2)CC1 ZINC001140380285 804425260 /nfs/dbraw/zinc/42/52/60/804425260.db2.gz RXMWQONBPMEBKJ-UHFFFAOYSA-N 1 1 293.414 3.052 20 30 CGEDMO N#CC1CC[NH+](Cc2cnc(-c3ccccc3F)nc2)CC1 ZINC001140400652 804430375 /nfs/dbraw/zinc/43/03/75/804430375.db2.gz BOLZWODHNAZBMR-UHFFFAOYSA-N 1 1 296.349 3.018 20 30 CGEDMO CCCCCCCC[C@@H](CC)[N@H+]1CCNC[C@@H]1COC ZINC001246597066 804436973 /nfs/dbraw/zinc/43/69/73/804436973.db2.gz QXNGTPIFIHHONG-IAGOWNOFSA-N 1 1 284.488 3.436 20 30 CGEDMO CCCCCCCC[C@@H](CC)N1CC[NH2+]C[C@@H]1COC ZINC001246597066 804436976 /nfs/dbraw/zinc/43/69/76/804436976.db2.gz QXNGTPIFIHHONG-IAGOWNOFSA-N 1 1 284.488 3.436 20 30 CGEDMO CCCCCCC[C@@H](C)N1CCNC[C@]2(CCCC[NH2+]2)C1 ZINC001246621527 804453272 /nfs/dbraw/zinc/45/32/72/804453272.db2.gz CRVXWLVSJGCQHQ-QZTJIDSGSA-N 1 1 295.515 3.153 20 30 CGEDMO CC[N@@H+](CCc1ccc(OC)cc1)Cc1ccc(C#N)nc1 ZINC001140546262 804457738 /nfs/dbraw/zinc/45/77/38/804457738.db2.gz BDPIQKQCEWJCKM-UHFFFAOYSA-N 1 1 295.386 3.026 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)nc1)[C@@H]1CCc2ccccc21 ZINC001140547679 804458365 /nfs/dbraw/zinc/45/83/65/804458365.db2.gz ZPPVTHPSEFWYBT-QGZVFWFLSA-N 1 1 263.344 3.073 20 30 CGEDMO CCCCCCC[C@H](C)N1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001246647708 804475428 /nfs/dbraw/zinc/47/54/28/804475428.db2.gz VERLSZZJTUNFAX-ROUUACIJSA-N 1 1 296.499 3.437 20 30 CGEDMO CCCCCCCC[C@H](CC)[N@@H+]1C[C@H]2CNC[C@@H](C1)O2 ZINC001246679538 804493883 /nfs/dbraw/zinc/49/38/83/804493883.db2.gz QTEZWDGEOBIYIH-YESZJQIVSA-N 1 1 282.472 3.188 20 30 CGEDMO CCCCCCCC[C@H](CC)N1C[C@H]2C[NH2+]C[C@@H](C1)O2 ZINC001246679538 804493886 /nfs/dbraw/zinc/49/38/86/804493886.db2.gz QTEZWDGEOBIYIH-YESZJQIVSA-N 1 1 282.472 3.188 20 30 CGEDMO N#Cc1csc(CN[C@@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC001256910753 807009523 /nfs/dbraw/zinc/00/95/23/807009523.db2.gz DLKUPFUSTHQLQH-CQSZACIVSA-N 1 1 289.448 3.116 20 30 CGEDMO N#Cc1csc(CN[C@@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC001256910753 807009526 /nfs/dbraw/zinc/00/95/26/807009526.db2.gz DLKUPFUSTHQLQH-CQSZACIVSA-N 1 1 289.448 3.116 20 30 CGEDMO N#Cc1c(F)cc(C[N@H+]2CCC[C@H](F)CC2)cc1F ZINC001140751324 804504638 /nfs/dbraw/zinc/50/46/38/804504638.db2.gz SAPROBOJYOTBQZ-NSHDSACASA-N 1 1 268.282 3.160 20 30 CGEDMO N#Cc1c(F)cc(C[N@@H+]2CCC[C@H](F)CC2)cc1F ZINC001140751324 804504642 /nfs/dbraw/zinc/50/46/42/804504642.db2.gz SAPROBOJYOTBQZ-NSHDSACASA-N 1 1 268.282 3.160 20 30 CGEDMO CCCCCCC[C@H](CC(C)C)[N@H+]1CCN[C@@H](CO)C1 ZINC001246797990 804518816 /nfs/dbraw/zinc/51/88/16/804518816.db2.gz QIVUALQSZPWTNH-IAGOWNOFSA-N 1 1 284.488 3.028 20 30 CGEDMO CC1(C)CNCC[N@H+]1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246809260 804526269 /nfs/dbraw/zinc/52/62/69/804526269.db2.gz GJEQECJRLKATMK-UHFFFAOYSA-N 1 1 297.446 3.268 20 30 CGEDMO CC1(C)C[NH2+]CCN1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246809260 804526275 /nfs/dbraw/zinc/52/62/75/804526275.db2.gz GJEQECJRLKATMK-UHFFFAOYSA-N 1 1 297.446 3.268 20 30 CGEDMO C=CC[N@@H+](Cc1ccc([O-])c(F)c1F)C(C)(C)C ZINC001140892612 804543253 /nfs/dbraw/zinc/54/32/53/804543253.db2.gz UGGSHGWTJSDPNP-UHFFFAOYSA-N 1 1 255.308 3.457 20 30 CGEDMO C=CC[N@H+](Cc1ccc(O)c(F)c1F)C(C)(C)C ZINC001140892612 804543257 /nfs/dbraw/zinc/54/32/57/804543257.db2.gz UGGSHGWTJSDPNP-UHFFFAOYSA-N 1 1 255.308 3.457 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(O)c(F)c1F)C(C)(C)C ZINC001140892612 804543260 /nfs/dbraw/zinc/54/32/60/804543260.db2.gz UGGSHGWTJSDPNP-UHFFFAOYSA-N 1 1 255.308 3.457 20 30 CGEDMO N#CC1CCC([N@H+]2CC[C@@](CF)(C(F)(F)F)C2)CC1 ZINC001256964098 807017897 /nfs/dbraw/zinc/01/78/97/807017897.db2.gz QJHJJCVTOJNCEY-MCIGGMRASA-N 1 1 278.293 3.293 20 30 CGEDMO CC1CCC(N2CC[NH+](C3CCC(C#N)CC3)CC2)CC1 ZINC001256968899 807018597 /nfs/dbraw/zinc/01/85/97/807018597.db2.gz RQBPVYCOLWZKSR-UHFFFAOYSA-N 1 1 289.467 3.265 20 30 CGEDMO Cc1[nH+]ccc(NC(C)(C)c2ccc(C#N)cc2)c1F ZINC001165761409 807019125 /nfs/dbraw/zinc/01/91/25/807019125.db2.gz WZPSRUWGHSMIME-UHFFFAOYSA-N 1 1 269.323 3.170 20 30 CGEDMO CCCCCCC[C@@H](CC)N1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246863558 804567812 /nfs/dbraw/zinc/56/78/12/804567812.db2.gz YOLOLODQTCTLGD-LVYZTWJOSA-N 1 1 282.472 3.031 20 30 CGEDMO CCCCCCCC[C@@H](CC)[N@H+]1CCN[C@@H](CCO)C1 ZINC001246878107 804576454 /nfs/dbraw/zinc/57/64/54/804576454.db2.gz YTWRJJUXPJLRIS-DLBZAZTESA-N 1 1 284.488 3.172 20 30 CGEDMO CCCCCCCC[C@@H](CC)N1CC[NH2+][C@@H](CCO)C1 ZINC001246878107 804576462 /nfs/dbraw/zinc/57/64/62/804576462.db2.gz YTWRJJUXPJLRIS-DLBZAZTESA-N 1 1 284.488 3.172 20 30 CGEDMO C=CCC[C@H](C)[N@H+](CC(C)(C)C)C1CCNCC1 ZINC001246948016 804614214 /nfs/dbraw/zinc/61/42/14/804614214.db2.gz ZOGQUUXPCBWFOR-AWEZNQCLSA-N 1 1 252.446 3.441 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CC(C)(C)C)C1CCNCC1 ZINC001246948016 804614218 /nfs/dbraw/zinc/61/42/18/804614218.db2.gz ZOGQUUXPCBWFOR-AWEZNQCLSA-N 1 1 252.446 3.441 20 30 CGEDMO C=CC[N@@H+](C1CCCCC1)[C@@H]1CCN[C@H](C(F)(F)F)C1 ZINC001246948487 804616206 /nfs/dbraw/zinc/61/62/06/804616206.db2.gz KJEUUMKZKXDBJN-KGLIPLIRSA-N 1 1 290.373 3.490 20 30 CGEDMO C=CC[N@H+](C)Cc1c(-c2ccccc2)nc2n1CCS2 ZINC001141308396 804629786 /nfs/dbraw/zinc/62/97/86/804629786.db2.gz LDQJKMXYDMLGNN-UHFFFAOYSA-N 1 1 285.416 3.274 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1ccc2c(c1)OCCCO2 ZINC001142262824 804710117 /nfs/dbraw/zinc/71/01/17/804710117.db2.gz QGLWCIYGPVSCPC-UHFFFAOYSA-N 1 1 288.391 3.364 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1ccc2c(c1)OCCCO2 ZINC001142262824 804710120 /nfs/dbraw/zinc/71/01/20/804710120.db2.gz QGLWCIYGPVSCPC-UHFFFAOYSA-N 1 1 288.391 3.364 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(F)c(F)cc1[O-] ZINC001142530463 804733650 /nfs/dbraw/zinc/73/36/50/804733650.db2.gz HOMVRSXBCYWZQG-UHFFFAOYSA-N 1 1 288.297 3.174 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(F)c(F)cc1O ZINC001142530463 804733655 /nfs/dbraw/zinc/73/36/55/804733655.db2.gz HOMVRSXBCYWZQG-UHFFFAOYSA-N 1 1 288.297 3.174 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(F)c(F)cc1O ZINC001142530463 804733660 /nfs/dbraw/zinc/73/36/60/804733660.db2.gz HOMVRSXBCYWZQG-UHFFFAOYSA-N 1 1 288.297 3.174 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1ccc(C(=O)OCC)cc1 ZINC001142595427 804742736 /nfs/dbraw/zinc/74/27/36/804742736.db2.gz YKAHRAXLBIIUDC-UHFFFAOYSA-N 1 1 288.391 3.379 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1ccc(C(=O)OCC)cc1 ZINC001142595427 804742740 /nfs/dbraw/zinc/74/27/40/804742740.db2.gz YKAHRAXLBIIUDC-UHFFFAOYSA-N 1 1 288.391 3.379 20 30 CGEDMO C[C@@]1(F)CCC[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)C1 ZINC001142912266 804783183 /nfs/dbraw/zinc/78/31/83/804783183.db2.gz ZVEVJRIEHFGNPM-MRXNPFEDSA-N 1 1 271.339 3.364 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)CC[C@@]1(C)O ZINC001142912115 804783222 /nfs/dbraw/zinc/78/32/22/804783222.db2.gz VIQMZKUIEWIIAJ-FZKQIMNGSA-N 1 1 297.402 3.022 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cccc(OC(F)F)c2)no1 ZINC001247622956 804784362 /nfs/dbraw/zinc/78/43/62/804784362.db2.gz SVGPJCZQRQSZML-LLVKDONJSA-N 1 1 295.289 3.304 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2ccc(C)c(C)c2)no1 ZINC001247623001 804784591 /nfs/dbraw/zinc/78/45/91/804784591.db2.gz UORUPRXQUQLAEG-ZDUSSCGKSA-N 1 1 257.337 3.319 20 30 CGEDMO CC[N@@H+](Cc1c[nH]c2cc(C#N)ccc12)C1CCOCC1 ZINC001142921915 804784745 /nfs/dbraw/zinc/78/47/45/804784745.db2.gz YZCYUQVMFYQVOL-UHFFFAOYSA-N 1 1 283.375 3.040 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](c3ccncc3)C2)c1F ZINC001143171147 804814331 /nfs/dbraw/zinc/81/43/31/804814331.db2.gz ROEDJYJUNQJVOB-CQSZACIVSA-N 1 1 299.324 3.221 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](c3ccncc3)C2)c1F ZINC001143171147 804814338 /nfs/dbraw/zinc/81/43/38/804814338.db2.gz ROEDJYJUNQJVOB-CQSZACIVSA-N 1 1 299.324 3.221 20 30 CGEDMO N#Cc1ccc(F)c(C[NH+]2CCCCCC2)c1F ZINC001143164692 804814827 /nfs/dbraw/zinc/81/48/27/804814827.db2.gz NUNPWVCXNCIIHP-UHFFFAOYSA-N 1 1 250.292 3.212 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3ccc(C(F)F)cc3)CC[C@H]2S1 ZINC001143245735 804826585 /nfs/dbraw/zinc/82/65/85/804826585.db2.gz QBPJDAJBBVUNJK-CYBMUJFWSA-N 1 1 295.354 3.398 20 30 CGEDMO O=C1C=C2C[N@@H+](Cc3ccc(C(F)F)cc3)CC[C@H]2S1 ZINC001143245735 804826593 /nfs/dbraw/zinc/82/65/93/804826593.db2.gz QBPJDAJBBVUNJK-CYBMUJFWSA-N 1 1 295.354 3.398 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2cccc3ccc(C)nc32)no1 ZINC001247967727 804858801 /nfs/dbraw/zinc/85/88/01/804858801.db2.gz QZDBGBIWHOMYDV-ZDUSSCGKSA-N 1 1 280.331 3.169 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cn3ccnc23)C1 ZINC001248447100 804933376 /nfs/dbraw/zinc/93/33/76/804933376.db2.gz GISIRPFNAMTTHM-LBPRGKRZSA-N 1 1 288.782 3.113 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2cc(Cl)cn3ccnc23)C1 ZINC001248447100 804933379 /nfs/dbraw/zinc/93/33/79/804933379.db2.gz GISIRPFNAMTTHM-LBPRGKRZSA-N 1 1 288.782 3.113 20 30 CGEDMO C[N@@H+](CCc1ccccc1Cl)Cc1ccc(C#N)cn1 ZINC001144163114 804947020 /nfs/dbraw/zinc/94/70/20/804947020.db2.gz NOHARUSHHWBRDF-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](OC)CC1 ZINC001248752041 804984686 /nfs/dbraw/zinc/98/46/86/804984686.db2.gz UUSOVVJWMVRLTL-QGZVFWFLSA-N 1 1 272.392 3.122 20 30 CGEDMO Fc1cc(C(F)(F)F)cnc1C[NH+]1CCC(S)CC1 ZINC001248789539 804990858 /nfs/dbraw/zinc/99/08/58/804990858.db2.gz DDUHDLNKEOZHDT-UHFFFAOYSA-N 1 1 294.317 3.134 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccnc1C(F)(F)F ZINC001144531373 804999460 /nfs/dbraw/zinc/99/94/60/804999460.db2.gz ZYOWJAHTNOPXEN-UOJUARBOSA-N 1 1 295.308 3.367 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccnc1C(F)(F)F ZINC001144531373 804999468 /nfs/dbraw/zinc/99/94/68/804999468.db2.gz ZYOWJAHTNOPXEN-UOJUARBOSA-N 1 1 295.308 3.367 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2ccc(F)c3cc[nH]c32)C1 ZINC001248816937 805004688 /nfs/dbraw/zinc/00/46/88/805004688.db2.gz BUICBJBASRNYRC-GFCCVEGCSA-N 1 1 271.339 3.433 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC[C@H](F)C(F)(F)CC2)cc1 ZINC001144567285 805006437 /nfs/dbraw/zinc/00/64/37/805006437.db2.gz HESJQRSMOOXGIU-AWEZNQCLSA-N 1 1 267.294 3.237 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCc3ccc(C(C)=O)cc3C2)cc1 ZINC001144578361 805008187 /nfs/dbraw/zinc/00/81/87/805008187.db2.gz BSVKQWKGCOHAEI-UHFFFAOYSA-N 1 1 289.378 3.429 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCc3ccc(C(C)=O)cc3C2)cc1 ZINC001144578361 805008194 /nfs/dbraw/zinc/00/81/94/805008194.db2.gz BSVKQWKGCOHAEI-UHFFFAOYSA-N 1 1 289.378 3.429 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CC[C@H]2COCc2ccccc2)cc1 ZINC001144573972 805009032 /nfs/dbraw/zinc/00/90/32/805009032.db2.gz WNLNLKORJUMAAV-FQEVSTJZSA-N 1 1 291.394 3.459 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)Cc2cccc3c2OCO3)cc1 ZINC001144581681 805011098 /nfs/dbraw/zinc/01/10/98/805011098.db2.gz YBJHNQHZEIGPAF-UHFFFAOYSA-N 1 1 279.339 3.029 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(OC)c2ccc(OC)cc12 ZINC001248828500 805012022 /nfs/dbraw/zinc/01/20/22/805012022.db2.gz SMBFGTBBXBKUTM-UHFFFAOYSA-N 1 1 271.360 3.475 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC2(CN(C(=O)CCCC)C2)C1 ZINC001147021848 805103901 /nfs/dbraw/zinc/10/39/01/805103901.db2.gz OVFNUSUYIPZHLX-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO N#Cc1ccc2cc(C[N@H+]3CC[C@@H]4CCCO[C@@H]4C3)[nH]c2c1 ZINC001249426710 805146522 /nfs/dbraw/zinc/14/65/22/805146522.db2.gz DBTINCKJNZAILM-KBXCAEBGSA-N 1 1 295.386 3.040 20 30 CGEDMO CC1(C)CCC[N@H+]1Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249426213 805146676 /nfs/dbraw/zinc/14/66/76/805146676.db2.gz JCXQEETVDYHAHY-UHFFFAOYSA-N 1 1 253.349 3.414 20 30 CGEDMO CC[N@@H+](Cc1cc2ccc(C#N)cc2[nH]1)Cc1cccnc1 ZINC001249429048 805147632 /nfs/dbraw/zinc/14/76/32/805147632.db2.gz LFRBZQDFTSRQCW-UHFFFAOYSA-N 1 1 290.370 3.457 20 30 CGEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@](C)(F)CCCC)C2)C1 ZINC001147809441 805152124 /nfs/dbraw/zinc/15/21/24/805152124.db2.gz GGORFOMATCVQNA-INIZCTEOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(CN(C(=O)C/C=C(/C)C=C)C2)C1 ZINC001148052795 805159982 /nfs/dbraw/zinc/15/99/82/805159982.db2.gz HWHZQCXCGBPFDR-PXNMLYILSA-N 1 1 288.435 3.009 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC2(C1)CC[N@H+](CCCCCC)C2 ZINC001148045188 805160302 /nfs/dbraw/zinc/16/03/02/805160302.db2.gz ILGAZXUYXBUIJP-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+]1CCC2(CN(C(=O)CC(C)=C(C)C)C2)C1 ZINC001148064680 805163016 /nfs/dbraw/zinc/16/30/16/805163016.db2.gz ISPLYPBFFLLUQM-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CC[N@@H+]1CCC2(CN(C(=O)C[C@H](C)CC(C)(C)C)C2)C1 ZINC001148342945 805175547 /nfs/dbraw/zinc/17/55/47/805175547.db2.gz NGFUBOBXPDMQDI-HNNXBMFYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)CCCCC(C)C)C2)C1 ZINC001148462741 805183133 /nfs/dbraw/zinc/18/31/33/805183133.db2.gz OPFGCBLXABQDCH-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO N#Cc1c(F)ccc(Nc2cc[nH+]cc2C(F)(F)F)c1F ZINC001249590521 805183221 /nfs/dbraw/zinc/18/32/21/805183221.db2.gz TXWGKDYKUVOIRE-UHFFFAOYSA-N 1 1 299.202 3.416 20 30 CGEDMO Cc1ccc(C#N)c(Nc2cc[nH+]cc2C(F)(F)F)c1 ZINC001249587318 805183997 /nfs/dbraw/zinc/18/39/97/805183997.db2.gz PVXBTSYYFZZHIX-UHFFFAOYSA-N 1 1 277.249 3.446 20 30 CGEDMO C=CC[N@H+](Cc1ccc(F)cc1C(=O)OC)C(C)(C)C ZINC001249629669 805192480 /nfs/dbraw/zinc/19/24/80/805192480.db2.gz JQRBPNQNQIJWLY-UHFFFAOYSA-N 1 1 279.355 3.399 20 30 CGEDMO CCCCCCCNC(=S)N[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001249649047 805202569 /nfs/dbraw/zinc/20/25/69/805202569.db2.gz JRRZLHVBUPYBDD-HNNXBMFYSA-N 1 1 299.528 3.151 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@H](F)C(F)(F)CC2)c1F ZINC001249672124 805209799 /nfs/dbraw/zinc/20/97/99/805209799.db2.gz SFNIUZUQCQYJRR-LBPRGKRZSA-N 1 1 286.272 3.267 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](F)C(F)(F)CC2)c1F ZINC001249672124 805209805 /nfs/dbraw/zinc/20/98/05/805209805.db2.gz SFNIUZUQCQYJRR-LBPRGKRZSA-N 1 1 286.272 3.267 20 30 CGEDMO C[C@]1(F)CCCC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC001249680626 805210121 /nfs/dbraw/zinc/21/01/21/805210121.db2.gz JIDNIEZWEBBJDX-HNNXBMFYSA-N 1 1 264.319 3.411 20 30 CGEDMO C[C@]1(F)CCCC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC001249680626 805210133 /nfs/dbraw/zinc/21/01/33/805210133.db2.gz JIDNIEZWEBBJDX-HNNXBMFYSA-N 1 1 264.319 3.411 20 30 CGEDMO CN(C)c1cc(F)cc(C[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC001249955855 805324510 /nfs/dbraw/zinc/32/45/10/805324510.db2.gz XXYCXQHLYBYRQE-ZDUSSCGKSA-N 1 1 275.371 3.017 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)CCC(F)(F)F ZINC001152573518 805354796 /nfs/dbraw/zinc/35/47/96/805354796.db2.gz ITTNDKPZJDOISM-GFCCVEGCSA-N 1 1 294.361 3.122 20 30 CGEDMO C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)C#CC(C)C ZINC001153207464 805387580 /nfs/dbraw/zinc/38/75/80/805387580.db2.gz JWXBPXBADZFJHR-QGZVFWFLSA-N 1 1 292.467 3.219 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001153549770 805401750 /nfs/dbraw/zinc/40/17/50/805401750.db2.gz WWQZZKFFVJEABZ-CVEARBPZSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H](C)[N@@H+](CC)C/C=C/Cl ZINC001153608143 805407210 /nfs/dbraw/zinc/40/72/10/805407210.db2.gz AEQYGILLUSUWJS-MMQHEFTJSA-N 1 1 286.847 3.168 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)C1CCCC1 ZINC001153846028 805417663 /nfs/dbraw/zinc/41/76/63/805417663.db2.gz AZZJDAIDICCRHG-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)C1CCC1 ZINC001153985556 805424620 /nfs/dbraw/zinc/42/46/20/805424620.db2.gz FKDXVKUCBBHGRQ-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)C1CCC1 ZINC001153985554 805424942 /nfs/dbraw/zinc/42/49/42/805424942.db2.gz FKDXVKUCBBHGRQ-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)CCC(C)(F)F ZINC001154052907 805430551 /nfs/dbraw/zinc/43/05/51/805430551.db2.gz GJNMQFRRYKQYHM-CYBMUJFWSA-N 1 1 290.398 3.215 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1cc(Cl)ccc1F ZINC001154242595 805443078 /nfs/dbraw/zinc/44/30/78/805443078.db2.gz VFAFJFPCJPINGR-LLVKDONJSA-N 1 1 298.789 3.105 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](CC)CCCC ZINC001154385682 805453870 /nfs/dbraw/zinc/45/38/70/805453870.db2.gz QYMBTEFEXMUBIY-SJORKVTESA-N 1 1 294.483 3.443 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(C)cc2OCC)C1 ZINC001250179875 805466934 /nfs/dbraw/zinc/46/69/34/805466934.db2.gz JGQFIUIXKZRGAP-OAHLLOKOSA-N 1 1 257.377 3.239 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C=C)CC ZINC001154756504 805482686 /nfs/dbraw/zinc/48/26/86/805482686.db2.gz BCUOUDFBLBZQIL-CVEARBPZSA-N 1 1 280.456 3.382 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)CCC(C)C ZINC001154750792 805482817 /nfs/dbraw/zinc/48/28/17/805482817.db2.gz APLXUKOOIVOSDY-HZPDHXFCSA-N 1 1 282.472 3.461 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)CCC(=C)C ZINC001154750807 805483494 /nfs/dbraw/zinc/48/34/94/805483494.db2.gz BHAUKMWFJFZCEF-CVEARBPZSA-N 1 1 280.456 3.382 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)C1(C)CCCCC1 ZINC001155036809 805527175 /nfs/dbraw/zinc/52/71/75/805527175.db2.gz HGNQBVGPPKARPX-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H](C)[N@@H+](CC)C/C=C/Cl ZINC001155072593 805535325 /nfs/dbraw/zinc/53/53/25/805535325.db2.gz FZBHEYZAVYXFNL-YQPYWJPPSA-N 1 1 286.847 3.168 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(Cl)[nH]1 ZINC001155095872 805538615 /nfs/dbraw/zinc/53/86/15/805538615.db2.gz FWFWPBFLOPRBFV-GFCCVEGCSA-N 1 1 297.830 3.075 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@H]2CCO[C@@H](c3ccccc3)C2)C1 ZINC001256823762 806986764 /nfs/dbraw/zinc/98/67/64/806986764.db2.gz LDNLVYPBJHAFKP-BPQIPLTHSA-N 1 1 269.388 3.252 20 30 CGEDMO CCOc1cc(C[NH+]2CCC(CC#N)CC2)c(Cl)cn1 ZINC001250316924 805561806 /nfs/dbraw/zinc/56/18/06/805561806.db2.gz DMDSJOJNCGLCNE-UHFFFAOYSA-N 1 1 293.798 3.259 20 30 CGEDMO C#Cc1cccc(CN[C@@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC001256902708 807003951 /nfs/dbraw/zinc/00/39/51/807003951.db2.gz VSWWGUQUOLTGFD-GOSISDBHSA-N 1 1 282.431 3.165 20 30 CGEDMO C#Cc1cccc(CN[C@@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC001256902708 807003957 /nfs/dbraw/zinc/00/39/57/807003957.db2.gz VSWWGUQUOLTGFD-GOSISDBHSA-N 1 1 282.431 3.165 20 30 CGEDMO Cc1ccc(CC#N)c(N2CCO[C@@H](c3ccccc3)C2)[nH+]1 ZINC001166680898 807081716 /nfs/dbraw/zinc/08/17/16/807081716.db2.gz JMATZPUFLCPTKZ-QGZVFWFLSA-N 1 1 293.370 3.034 20 30 CGEDMO N#Cc1cccc(O[C@@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC001257355963 807120543 /nfs/dbraw/zinc/12/05/43/807120543.db2.gz NZJDONGKRDSALP-QGZVFWFLSA-N 1 1 270.376 3.344 20 30 CGEDMO C#C[C@@H]1CCCN(c2cc(C)c3ccc(OC)cc3[nH+]2)C1 ZINC001167006106 807127990 /nfs/dbraw/zinc/12/79/90/807127990.db2.gz OSDIGOLBYKJYGE-CQSZACIVSA-N 1 1 280.371 3.401 20 30 CGEDMO C=C(C)CN(CC)c1[nH+]ccc2c3c([nH]c21)CCC3 ZINC001167051007 807137538 /nfs/dbraw/zinc/13/75/38/807137538.db2.gz UBKCNMLUVPNWSE-UHFFFAOYSA-N 1 1 255.365 3.454 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(C#N)ccn1 ZINC001167115575 807154462 /nfs/dbraw/zinc/15/44/62/807154462.db2.gz HEJJBALIPSFWEN-UHFFFAOYSA-N 1 1 293.370 3.150 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(C#N)ccn1 ZINC001167115575 807154467 /nfs/dbraw/zinc/15/44/67/807154467.db2.gz HEJJBALIPSFWEN-UHFFFAOYSA-N 1 1 293.370 3.150 20 30 CGEDMO CC[C@H](C)[N@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001257444067 807159353 /nfs/dbraw/zinc/15/93/53/807159353.db2.gz RIJGFBZYPGLGCD-XJKSGUPXSA-N 1 1 258.365 3.200 20 30 CGEDMO C#CC[N@H+](C[C@H]1CCC(C)(C)CO1)C1CCCCC1 ZINC001167273895 807174513 /nfs/dbraw/zinc/17/45/13/807174513.db2.gz TXCMOKHQOBJBIU-MRXNPFEDSA-N 1 1 263.425 3.460 20 30 CGEDMO Cc1c[nH]c2nc(N[C@@H](C)c3cccc(C#N)c3)[nH+]cc12 ZINC001167709155 807231361 /nfs/dbraw/zinc/23/13/61/807231361.db2.gz VZTFXOYFYFMEFC-NSHDSACASA-N 1 1 277.331 3.263 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCC[C@@H](N(C)C)C3)C[C@H](C1)C2 ZINC001257892749 807242243 /nfs/dbraw/zinc/24/22/43/807242243.db2.gz CHNBYRDNGLXFJD-LVYZTWJOSA-N 1 1 262.441 3.147 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+](C)[C@@H]3CCCN(C(C)=O)C3)C[C@H](C1)C2 ZINC001257893898 807243525 /nfs/dbraw/zinc/24/35/25/807243525.db2.gz CKJCIRVVLZPOKX-SOABOVLPSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+](CC)CCn3ccnc3)C[C@H](C1)C2 ZINC001257894199 807243955 /nfs/dbraw/zinc/24/39/55/807243955.db2.gz NFYWSAVQJQWWCH-SJPCQFCGSA-N 1 1 273.424 3.340 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CCO[C@@H]2C[C@@H](CO)C[C@@H]21 ZINC001258045185 807273621 /nfs/dbraw/zinc/27/36/21/807273621.db2.gz YFVWPEMKWWLIDR-LUKYLMHMSA-N 1 1 283.456 3.207 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC001258046962 807274101 /nfs/dbraw/zinc/27/41/01/807274101.db2.gz GILPQKWVYBDQQN-IRXDYDNUSA-N 1 1 282.472 3.142 20 30 CGEDMO C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@H]1CCO[C@@H](C)C1 ZINC001168130561 807318355 /nfs/dbraw/zinc/31/83/55/807318355.db2.gz HBSUQUSGNNSTHM-QILLFSRXSA-N 1 1 269.388 3.177 20 30 CGEDMO C=CCc1cc(C)c[nH+]c1NCCOC(F)(F)F ZINC001168165345 807330331 /nfs/dbraw/zinc/33/03/31/807330331.db2.gz ZBBWZJIUAYLFKM-UHFFFAOYSA-N 1 1 260.259 3.067 20 30 CGEDMO CCCCCCCCC[C@@H](C)[N@H+]1CCO[C@@H](CO)C1 ZINC001258228540 807376912 /nfs/dbraw/zinc/37/69/12/807376912.db2.gz IHAMMFRXMXBUTL-HZPDHXFCSA-N 1 1 271.445 3.209 20 30 CGEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H](C)CC1CC1)C2 ZINC001258464752 807465449 /nfs/dbraw/zinc/46/54/49/807465449.db2.gz USCLAHFGAVMXEN-HYVNUMGLSA-N 1 1 279.424 3.001 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H](C)CC1CC1)CC2 ZINC001258465746 807467429 /nfs/dbraw/zinc/46/74/29/807467429.db2.gz NKJUMDOTCSLIKG-YJBOKZPZSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@H+]([C@@H]3CCC(C)(C)C3)C2)C1=O ZINC001258599910 807499533 /nfs/dbraw/zinc/49/95/33/807499533.db2.gz DRRTTZILLXGYTC-QAPCUYQASA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168872120 807532815 /nfs/dbraw/zinc/53/28/15/807532815.db2.gz KYAYEWZICBXJIQ-KBPBESRZSA-N 1 1 282.428 3.282 20 30 CGEDMO C=CCn1ccc2c1nc[nH+]c2NCCC1CCC1 ZINC001168886431 807534354 /nfs/dbraw/zinc/53/43/54/807534354.db2.gz BUYCZGQCWISQEA-UHFFFAOYSA-N 1 1 256.353 3.219 20 30 CGEDMO CCCCCCC[C@@H](CC(C)C)[N@@H+](C)CC(=O)NC ZINC001258714525 807565694 /nfs/dbraw/zinc/56/56/94/807565694.db2.gz PVIIZZIGIWJFKJ-HNNXBMFYSA-N 1 1 270.461 3.439 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001258725845 807573761 /nfs/dbraw/zinc/57/37/61/807573761.db2.gz BQOBBVSYZOUPOP-CQSZACIVSA-N 1 1 282.428 3.284 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]2O[C@@H](COCC3CC3)CC[C@H]21 ZINC001258727881 807574560 /nfs/dbraw/zinc/57/45/60/807574560.db2.gz JCPICMGLBGVRTQ-VDHUWJSZSA-N 1 1 293.451 3.390 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CCc1ccc(OC)cc1)C[C@H](C)O ZINC001258726952 807575236 /nfs/dbraw/zinc/57/52/36/807575236.db2.gz ZIFPOPJCGPZEFX-HOTGVXAUSA-N 1 1 291.435 3.275 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001258729691 807575731 /nfs/dbraw/zinc/57/57/31/807575731.db2.gz XGHXFDGPWYWNBT-KKUMJFAQSA-N 1 1 294.439 3.282 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@]2(C[C@H](CCOC)CO2)C1 ZINC001258728976 807576693 /nfs/dbraw/zinc/57/66/93/807576693.db2.gz RZJXUPIINBXDIK-YESZJQIVSA-N 1 1 281.440 3.249 20 30 CGEDMO C=CC[C@@](C)([NH2+][C@H](CC)C[C@H](C)CC)C(=O)OC ZINC001258786559 807612097 /nfs/dbraw/zinc/61/20/97/807612097.db2.gz AIVOUVCHVGEDMK-UMVBOHGHSA-N 1 1 255.402 3.299 20 30 CGEDMO COc1ccc(Nc2cccc3[nH+]cn(C)c32)c(C#N)c1 ZINC001212785331 815137468 /nfs/dbraw/zinc/13/74/68/815137468.db2.gz OHZGQXQTVZOMIO-UHFFFAOYSA-N 1 1 278.315 3.197 20 30 CGEDMO C=CC(NC1(c2ccccc2C(F)(F)F)CC1)=[NH+]COC ZINC001169635151 807680779 /nfs/dbraw/zinc/68/07/79/807680779.db2.gz OAEUFRAKJOSBNQ-UHFFFAOYSA-N 1 1 298.308 3.473 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1C[C@H]1COC2(CCCCC2)O1 ZINC001169862099 807717561 /nfs/dbraw/zinc/71/75/61/807717561.db2.gz DNLICXHBNFLPQJ-CABCVRRESA-N 1 1 265.397 3.103 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC001261799165 807788896 /nfs/dbraw/zinc/78/88/96/807788896.db2.gz FDPQYGYLESJPFG-LBPRGKRZSA-N 1 1 263.768 3.281 20 30 CGEDMO C=CCCC[NH2+]c1ccc(N2CCOCC2)c(C)c1 ZINC001170301057 807821177 /nfs/dbraw/zinc/82/11/77/807821177.db2.gz DANOVQDQGANVFW-UHFFFAOYSA-N 1 1 260.381 3.210 20 30 CGEDMO C[N@@H+](CCC#N)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170375889 807832392 /nfs/dbraw/zinc/83/23/92/807832392.db2.gz GTBKMKJGTIFLNS-UHFFFAOYSA-N 1 1 267.376 3.236 20 30 CGEDMO C[C@H]1CC[C@@H](CO)[N@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170379139 807832481 /nfs/dbraw/zinc/83/24/81/807832481.db2.gz RFXZPFZYYYHHME-BARLLCKDSA-N 1 1 298.430 3.236 20 30 CGEDMO N#CC1(c2ccccc2)CCC([N@H+]2CC[C@H]3OCC[C@H]32)CC1 ZINC001170383283 807832874 /nfs/dbraw/zinc/83/28/74/807832874.db2.gz KFYOFEKLGSZXMM-QGLXBCBXSA-N 1 1 296.414 3.254 20 30 CGEDMO N#CC1(c2ccccc2)CCC([N@H+]2C[C@H]3CC[C@@H]2CO3)CC1 ZINC001170405656 807835065 /nfs/dbraw/zinc/83/50/65/807835065.db2.gz MXGDQMZBDSAHEW-QGLXBCBXSA-N 1 1 296.414 3.254 20 30 CGEDMO C=CC[N@H+]([C@H]1CC[C@@H](C(=O)OC)C1)C1CCCCC1 ZINC001170574563 807858164 /nfs/dbraw/zinc/85/81/64/807858164.db2.gz VOVFPHVQKNNUOQ-HIFRSBDPSA-N 1 1 265.397 3.149 20 30 CGEDMO C#Cc1cccnc1N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001262690982 807896877 /nfs/dbraw/zinc/89/68/77/807896877.db2.gz QCJUYRGOQKCAKN-GOEBONIOSA-N 1 1 283.419 3.128 20 30 CGEDMO CC(C)(C)OC(=O)Nc1cc(NCCCS)cc[nH+]1 ZINC001171002215 807955868 /nfs/dbraw/zinc/95/58/68/807955868.db2.gz JWFZNSJEGLHADD-UHFFFAOYSA-N 1 1 283.397 3.160 20 30 CGEDMO N#C[C@H]1CC[N@H+]([C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171136870 807996185 /nfs/dbraw/zinc/99/61/85/807996185.db2.gz XFOONJQOQMAFKD-IAQYHMDHSA-N 1 1 260.768 3.043 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H](C)CC(C)(C)C ZINC001263812623 808005738 /nfs/dbraw/zinc/00/57/38/808005738.db2.gz QTPJVRMGXRCVST-CABCVRRESA-N 1 1 280.456 3.168 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@H](CF)C1 ZINC001171221535 808010930 /nfs/dbraw/zinc/01/09/30/808010930.db2.gz ORPRUIPAEUFLID-CZUORRHYSA-N 1 1 260.356 3.171 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC001171223255 808011806 /nfs/dbraw/zinc/01/18/06/808011806.db2.gz LQEXQKUBKXKHEZ-VBNZEHGJSA-N 1 1 254.377 3.077 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+](C)Cc1cscn1 ZINC001171222057 808012058 /nfs/dbraw/zinc/01/20/58/808012058.db2.gz CDWVHPMVNKGKGA-GFCCVEGCSA-N 1 1 271.389 3.078 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1cscn1 ZINC001171222057 808012066 /nfs/dbraw/zinc/01/20/66/808012066.db2.gz CDWVHPMVNKGKGA-GFCCVEGCSA-N 1 1 271.389 3.078 20 30 CGEDMO Cc1cc2c(cn1)C[N@@H+]([C@H](C)Cc1cccc(C#N)c1)C2 ZINC001171225242 808014289 /nfs/dbraw/zinc/01/42/89/808014289.db2.gz ZEEVWXRSQKDVRZ-CQSZACIVSA-N 1 1 277.371 3.209 20 30 CGEDMO Cc1cc2c(cn1)C[N@H+]([C@H](C)Cc1cccc(C#N)c1)C2 ZINC001171225242 808014292 /nfs/dbraw/zinc/01/42/92/808014292.db2.gz ZEEVWXRSQKDVRZ-CQSZACIVSA-N 1 1 277.371 3.209 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2(CC(C)C)CCC2)[C@H]1CC ZINC001264058209 808030676 /nfs/dbraw/zinc/03/06/76/808030676.db2.gz HXWFMZAIZWMCBA-JKSUJKDBSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[N@@H+](CC2CCC2)CC(C)(C)C1 ZINC001264192626 808045595 /nfs/dbraw/zinc/04/55/95/808045595.db2.gz CCMZNYRVRWVLPQ-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2C)[C@H]1CC ZINC001264615457 808082441 /nfs/dbraw/zinc/08/24/41/808082441.db2.gz YEQRGQYWPDFFRI-WCXIOVBPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)SC)[C@H]1C ZINC001264690033 808085545 /nfs/dbraw/zinc/08/55/45/808085545.db2.gz OSWHHGRMEXDJED-ILXRZTDVSA-N 1 1 298.496 3.063 20 30 CGEDMO CC#CC[N@H+]1CC[C@H](NC(=O)CCCCCC(C)C)[C@H]1C ZINC001264722043 808087333 /nfs/dbraw/zinc/08/73/33/808087333.db2.gz AFALXYKQWQKNPH-SJORKVTESA-N 1 1 292.467 3.195 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](F)CC)CC(C)(C)C1 ZINC001264753590 808092022 /nfs/dbraw/zinc/09/20/22/808092022.db2.gz LBVHDRPQKZCYHV-GJZGRUSLSA-N 1 1 298.446 3.308 20 30 CGEDMO C#CCC[N@H+](CC)CCCNC(=O)[C@@]1(C)CCC[C@@H]1CC ZINC001265119679 808111588 /nfs/dbraw/zinc/11/15/88/808111588.db2.gz NFPPEJHUSHCBBJ-WMZOPIPTSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2ccsc2)C1 ZINC001265203629 808119142 /nfs/dbraw/zinc/11/91/42/808119142.db2.gz NGMILODITXDWCM-UKRRQHHQSA-N 1 1 292.448 3.297 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C2CCC(F)CC2)C1 ZINC001265224712 808122630 /nfs/dbraw/zinc/12/26/30/808122630.db2.gz IPLHKUHLUPKSTA-UYSNPLJNSA-N 1 1 296.430 3.062 20 30 CGEDMO CCC[C@](C)(C#N)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171738537 808129040 /nfs/dbraw/zinc/12/90/40/808129040.db2.gz KGZPLEAESOEPEA-RYQLBKOJSA-N 1 1 285.435 3.321 20 30 CGEDMO C[C@@H]1C[C@H](N2CCC(CC#N)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171760820 808132345 /nfs/dbraw/zinc/13/23/45/808132345.db2.gz ALYLAOXRYKJQKR-APWZRJJASA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1C[C@H](N2CCC(CC#N)CC2)C[N@H+]1Cc1ccccc1 ZINC001171760820 808132348 /nfs/dbraw/zinc/13/23/48/808132348.db2.gz ALYLAOXRYKJQKR-APWZRJJASA-N 1 1 297.446 3.275 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC001171848098 808148973 /nfs/dbraw/zinc/14/89/73/808148973.db2.gz YKAZXWOVKZDOIT-CQSZACIVSA-N 1 1 273.376 3.246 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(F)c(F)c2)C1 ZINC001171848026 808149439 /nfs/dbraw/zinc/14/94/39/808149439.db2.gz VUOXCAURXIFSQY-LBPRGKRZSA-N 1 1 294.345 3.191 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]2C[N@@H+](CC=C(C)C)CC[C@H]21 ZINC001265523449 808151426 /nfs/dbraw/zinc/15/14/26/808151426.db2.gz LDNUOACHCHXLEE-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)CCC)C1 ZINC001265577086 808156690 /nfs/dbraw/zinc/15/66/90/808156690.db2.gz BOSVLBHUBCFGOA-HOTGVXAUSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](CNC(=O)CC2CCC2)C1 ZINC001265580315 808156846 /nfs/dbraw/zinc/15/68/46/808156846.db2.gz VGAQCUZPYZPQGV-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)C2CCCC2)C1 ZINC001265595345 808158002 /nfs/dbraw/zinc/15/80/02/808158002.db2.gz XGBANBAIEKZRAV-JKSUJKDBSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)C1(CC=C)CCCC1 ZINC001265659443 808166034 /nfs/dbraw/zinc/16/60/34/808166034.db2.gz BERNWXGHWKNINJ-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@H]2CCCC[N@@H+]2C[C@@H](F)CC)C1 ZINC001265654241 808166100 /nfs/dbraw/zinc/16/61/00/808166100.db2.gz QDZHOEXDQDAFCM-LSDHHAIUSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)[C@H]1CCN(CC)C(=O)C1 ZINC001172043775 808168393 /nfs/dbraw/zinc/16/83/93/808168393.db2.gz PLENWBFXWUUDMV-KRWDZBQOSA-N 1 1 286.419 3.076 20 30 CGEDMO CC#CCCCC(=O)N1CCCC[C@H]1[C@H]1CCC[N@@H+]1CC ZINC001265696889 808170835 /nfs/dbraw/zinc/17/08/35/808170835.db2.gz LKQXANACQALERH-SJORKVTESA-N 1 1 290.451 3.045 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CC2=CCCCC2)C1 ZINC001265700712 808171020 /nfs/dbraw/zinc/17/10/20/808171020.db2.gz UWWMUMQIGGLOCO-WBVHZDCISA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C/C=C\Cl)C1 ZINC001265705858 808171698 /nfs/dbraw/zinc/17/16/98/808171698.db2.gz NWLKGIFFOMSWLI-ZAACICEASA-N 1 1 298.858 3.168 20 30 CGEDMO C=C(C)C[N@H+](CC)CCCNC(=O)[C@H]1CCC[C@@H]1CC ZINC001266080547 808207611 /nfs/dbraw/zinc/20/76/11/808207611.db2.gz LSDPAXKEWSZNBT-HOTGVXAUSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)C(C)C)C1 ZINC001266089933 808210136 /nfs/dbraw/zinc/21/01/36/808210136.db2.gz ARDIEZNERZHLDM-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]([N@@H+](C)CCCCCF)C1 ZINC001266103635 808211737 /nfs/dbraw/zinc/21/17/37/808211737.db2.gz UPNZFDNEUUFEBD-MRXNPFEDSA-N 1 1 298.446 3.405 20 30 CGEDMO C=CCC1(C(=O)N2CCC[C@@H]([N@H+](C)C(C)C)C2)CCCC1 ZINC001266122916 808214508 /nfs/dbraw/zinc/21/45/08/808214508.db2.gz YAOKRIFUYRHHHG-MRXNPFEDSA-N 1 1 292.467 3.454 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@](C)(F)[C@H](F)C1 ZINC001172311947 808224168 /nfs/dbraw/zinc/22/41/68/808224168.db2.gz CNPDFHGKYSOUAB-WQVCFCJDSA-N 1 1 278.346 3.261 20 30 CGEDMO CC(C)[N@@H+](CCCCCO)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172313287 808224791 /nfs/dbraw/zinc/22/47/91/808224791.db2.gz TZRGAAUNNQQPIT-MRXNPFEDSA-N 1 1 288.435 3.362 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCCC[C@@H](F)C1 ZINC001172316949 808226436 /nfs/dbraw/zinc/22/64/36/808226436.db2.gz YXHNZKBWASXFFI-CZUORRHYSA-N 1 1 260.356 3.313 20 30 CGEDMO C=CC(C)(C)CC(=O)NCCC[C@@H]1CCC[N@H+]1CC1CC1 ZINC001266219203 808228063 /nfs/dbraw/zinc/22/80/63/808228063.db2.gz DVQPEGNYJDVTIM-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC[N@H+](C)[C@@H](C)c1ccccc1 ZINC001266306613 808239578 /nfs/dbraw/zinc/23/95/78/808239578.db2.gz ZIQSUAHLDDENFX-HNNXBMFYSA-N 1 1 288.435 3.398 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)CCCCCC)C1 ZINC001266333359 808243641 /nfs/dbraw/zinc/24/36/41/808243641.db2.gz LRVXLNQMBAIXED-IAGOWNOFSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)C2(CC)CCCC2)C1 ZINC001266350865 808246426 /nfs/dbraw/zinc/24/64/26/808246426.db2.gz YNNUDDTXAKEJTK-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO CCCCCCC[C@H](CC)[N@@H+](C)CCC(=O)NC ZINC001172355463 808250760 /nfs/dbraw/zinc/25/07/60/808250760.db2.gz OUSVAFCQCRTYRV-AWEZNQCLSA-N 1 1 256.434 3.193 20 30 CGEDMO CCCCCCC[C@@H](CC)[NH2+]CCCN1CCN(C)CC1 ZINC001172361341 808256858 /nfs/dbraw/zinc/25/68/58/808256858.db2.gz MRFZRBDYNUQZHV-GOSISDBHSA-N 1 1 297.531 3.353 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)C1(F)CCCCC1 ZINC001266428241 808262601 /nfs/dbraw/zinc/26/26/01/808262601.db2.gz NOEUYKMIXFCION-HNNXBMFYSA-N 1 1 298.446 3.452 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)CCC2CCCC2)C1 ZINC001266449019 808267315 /nfs/dbraw/zinc/26/73/15/808267315.db2.gz XQBXBEIFUMUUBP-KRWDZBQOSA-N 1 1 292.467 3.313 20 30 CGEDMO CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)CCC)C1 ZINC001266465946 808270338 /nfs/dbraw/zinc/27/03/38/808270338.db2.gz GFNISOLGGWBRRE-MRXNPFEDSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@H](C[N@H+](C)CC(C)C)C1 ZINC001266469549 808271531 /nfs/dbraw/zinc/27/15/31/808271531.db2.gz NWOWQCBDKARCQT-MRXNPFEDSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@](C)(CC)CCC ZINC001266488795 808275421 /nfs/dbraw/zinc/27/54/21/808275421.db2.gz PPXIHPOTILBPEQ-RDJZCZTQSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)C(C)C ZINC001266491195 808275979 /nfs/dbraw/zinc/27/59/79/808275979.db2.gz GVXWIDKJSZYRPY-LVQVYYBASA-N 1 1 296.430 3.010 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CCC(C)(C)C ZINC001266499261 808277442 /nfs/dbraw/zinc/27/74/42/808277442.db2.gz VTALQPBSRVHNKT-OAGGEKHMSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CCC(C)(C)C ZINC001266499261 808277450 /nfs/dbraw/zinc/27/74/50/808277450.db2.gz VTALQPBSRVHNKT-OAGGEKHMSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](CNC(=O)C2CCCCC2)C1 ZINC001266498596 808277873 /nfs/dbraw/zinc/27/78/73/808277873.db2.gz YKAJSDDXEHXTMP-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001266526734 808282101 /nfs/dbraw/zinc/28/21/01/808282101.db2.gz YXKQKRVSFRYAFN-MRXNPFEDSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C/C(C)=C/CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=C)C ZINC001266651575 808301665 /nfs/dbraw/zinc/30/16/65/808301665.db2.gz CZGLCULAOZKOHK-IVDYQAJNSA-N 1 1 288.435 3.197 20 30 CGEDMO CCCCCCCC[N@@H+](CCN)[C@@H](C)CCOCC ZINC001172421647 808303206 /nfs/dbraw/zinc/30/32/06/808303206.db2.gz YUPFTMQVGXBFBM-INIZCTEOSA-N 1 1 272.477 3.423 20 30 CGEDMO CCCCCCCCN(CC[NH3+])[C@@H](C)CCOCC ZINC001172421647 808303215 /nfs/dbraw/zinc/30/32/15/808303215.db2.gz YUPFTMQVGXBFBM-INIZCTEOSA-N 1 1 272.477 3.423 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H](CNC(=O)c2cccs2)C1 ZINC001266737480 808311002 /nfs/dbraw/zinc/31/10/02/808311002.db2.gz VORCYDFGQFBTAQ-CQSZACIVSA-N 1 1 292.448 3.156 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1CCC[N@H+](CC[C@@H](C)F)C1 ZINC001266751202 808312031 /nfs/dbraw/zinc/31/20/31/808312031.db2.gz CZMJWLMXEGNZMD-CABCVRRESA-N 1 1 298.446 3.165 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)CCC2(C)CC2)C1 ZINC001266764688 808314154 /nfs/dbraw/zinc/31/41/54/808314154.db2.gz UUVZZXMCPICKEE-AWEZNQCLSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)CCC2(C)CC2)C1 ZINC001266764688 808314162 /nfs/dbraw/zinc/31/41/62/808314162.db2.gz UUVZZXMCPICKEE-AWEZNQCLSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCC[N@@H+](C/C=C\Cl)C1 ZINC001266760911 808314256 /nfs/dbraw/zinc/31/42/56/808314256.db2.gz OYLORTACMKSQIH-CMWWXKBXSA-N 1 1 298.858 3.169 20 30 CGEDMO C=CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC001266855899 808325311 /nfs/dbraw/zinc/32/53/11/808325311.db2.gz HTMWBFGCNSNHNI-HOTGVXAUSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2(C)CCCCC2)C1 ZINC001266895479 808331270 /nfs/dbraw/zinc/33/12/70/808331270.db2.gz OOZUSYWMSAPYKU-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)C(C)C)C1 ZINC001266891696 808331337 /nfs/dbraw/zinc/33/13/37/808331337.db2.gz QOOURLUYEWNDJG-HZPDHXFCSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)C2C(C)(C)C2(C)C)C1 ZINC001267102009 808358489 /nfs/dbraw/zinc/35/84/89/808358489.db2.gz BJIFOVXRVIVTLU-CQSZACIVSA-N 1 1 292.467 3.168 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC001172503347 808358883 /nfs/dbraw/zinc/35/88/83/808358883.db2.gz AFNFVTPNEIPVLW-OAHLLOKOSA-N 1 1 294.402 3.313 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)C2(CCF)CC2)C1 ZINC001267109437 808359872 /nfs/dbraw/zinc/35/98/72/808359872.db2.gz VKKKYJYPQNZMJX-OAHLLOKOSA-N 1 1 296.430 3.015 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001172504603 808359763 /nfs/dbraw/zinc/35/97/63/808359763.db2.gz HSRQZLGJIYZBGN-LSDHHAIUSA-N 1 1 257.381 3.343 20 30 CGEDMO C[C@@H](CCCC#N)[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001172504662 808360125 /nfs/dbraw/zinc/36/01/25/808360125.db2.gz IAHOMZLFMNPNFE-KBPBESRZSA-N 1 1 295.427 3.010 20 30 CGEDMO CCCCCCCC[C@H](CC)[N@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC001172504083 808361400 /nfs/dbraw/zinc/36/14/00/808361400.db2.gz CTRHGQVMWOVUBZ-YESZJQIVSA-N 1 1 285.472 3.191 20 30 CGEDMO CCCCCCCC[C@H](CC)[NH2+]CCCN(C)CCO ZINC001172505926 808362354 /nfs/dbraw/zinc/36/23/54/808362354.db2.gz XLMILMNVMZCEDU-KRWDZBQOSA-N 1 1 286.504 3.419 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]1CCCNC(=O)C=C(C)C ZINC001267161675 808371219 /nfs/dbraw/zinc/37/12/19/808371219.db2.gz QKJGGALAALRCAR-INIZCTEOSA-N 1 1 278.440 3.280 20 30 CGEDMO C=C1CCC(C(=O)NCC[N@H+](C)CCCC(C)C)CC1 ZINC001267216112 808384060 /nfs/dbraw/zinc/38/40/60/808384060.db2.gz SNYYFKCNZBUCCT-UHFFFAOYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC[N@H+](C)CCNC(=O)c1ccc(Cl)c(CCC)c1 ZINC001267226682 808386127 /nfs/dbraw/zinc/38/61/27/808386127.db2.gz YBBRAFWGHOCHSX-UHFFFAOYSA-N 1 1 294.826 3.140 20 30 CGEDMO C=CCCC(=O)NCC[N@H+](CC)[C@@H]1CCc2ccccc21 ZINC001267238218 808391446 /nfs/dbraw/zinc/39/14/46/808391446.db2.gz JYFOOJZNZNANFF-QGZVFWFLSA-N 1 1 286.419 3.078 20 30 CGEDMO C=C(C)CC[N@H+](CCCNC(=O)[C@H]1CC1(C)C)C(C)C ZINC001267248097 808394088 /nfs/dbraw/zinc/39/40/88/808394088.db2.gz MJQGFFXQXOHHBY-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)C1C[C@@H](C)C[C@H](C)C1 ZINC001267257490 808399165 /nfs/dbraw/zinc/39/91/65/808399165.db2.gz XNEIEQLGNDHZCN-GJZGRUSLSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)c1coc(C)c1 ZINC001267266281 808401607 /nfs/dbraw/zinc/40/16/07/808401607.db2.gz IOAROAOFCMZIEU-XJKSGUPXSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)CCC ZINC001267275470 808403309 /nfs/dbraw/zinc/40/33/09/808403309.db2.gz WKBUPLROOFVQEC-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001267289105 808404296 /nfs/dbraw/zinc/40/42/96/808404296.db2.gz XVCZDFTZPURXJV-KRWDZBQOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)C[C@H](C)CCC)C1 ZINC001267288770 808405229 /nfs/dbraw/zinc/40/52/29/808405229.db2.gz UQZPCEMMAWXHBU-CVEARBPZSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](CCC)CC(C)C)C1 ZINC001267310044 808411013 /nfs/dbraw/zinc/41/10/13/808411013.db2.gz PXXQDVNYOVXAJM-SJORKVTESA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)C[C@@H]1CCCC[C@@H]1C ZINC001267320261 808414310 /nfs/dbraw/zinc/41/43/10/808414310.db2.gz CWGFMHMIJUUNDL-HOTGVXAUSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)c1cccc(F)c1)C(C)C ZINC001267497840 808433111 /nfs/dbraw/zinc/43/31/11/808433111.db2.gz YZITZCJBIZEZNK-UHFFFAOYSA-N 1 1 292.398 3.232 20 30 CGEDMO C=C(Cl)C[N@H+](CCCNC(=O)[C@@H](C)CC)C(C)C ZINC001267497233 808434059 /nfs/dbraw/zinc/43/40/59/808434059.db2.gz AYCJWZWZRQPJIB-LBPRGKRZSA-N 1 1 274.836 3.002 20 30 CGEDMO CCCC[N@@H+](CCC#N)[C@@H](C)CCC(=O)OC(C)C ZINC001172764000 808434088 /nfs/dbraw/zinc/43/40/88/808434088.db2.gz PZKBDTOTFKLOPR-AWEZNQCLSA-N 1 1 268.401 3.122 20 30 CGEDMO CC#CC[N@@H+](CCCNC(=O)C(C)=C1CCCC1)C(C)C ZINC001267502203 808435119 /nfs/dbraw/zinc/43/51/19/808435119.db2.gz YMLJYLTTZWXBRL-UHFFFAOYSA-N 1 1 290.451 3.117 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)c1ccc2cc[nH]c2c1)C(C)C ZINC001267510370 808436604 /nfs/dbraw/zinc/43/66/04/808436604.db2.gz MZJXBSQXZQAUHP-UHFFFAOYSA-N 1 1 299.418 3.184 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)CC(C)(C)C2CC2)C1 ZINC001267541047 808442668 /nfs/dbraw/zinc/44/26/68/808442668.db2.gz UKKQGONJGAXQFQ-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001267547167 808444061 /nfs/dbraw/zinc/44/40/61/808444061.db2.gz VMOGMVOXWGJTGV-IXDOHACOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](CCC)CC(C)C)C1 ZINC001267597652 808454946 /nfs/dbraw/zinc/45/49/46/808454946.db2.gz ZHLPINBLXXMASF-IAGOWNOFSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)CC2CCCC2)C1 ZINC001267625506 808460269 /nfs/dbraw/zinc/46/02/69/808460269.db2.gz MAKBJAVXPDBQSH-HNNXBMFYSA-N 1 1 298.858 3.100 20 30 CGEDMO C=CCCC[NH+]1CC(NC(=O)c2sccc2C(C)C)C1 ZINC001267671090 808470026 /nfs/dbraw/zinc/47/00/26/808470026.db2.gz XJELWIJYTHYHNQ-UHFFFAOYSA-N 1 1 292.448 3.252 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[C@H](C[N@@H+](C)CC(=C)Cl)C1 ZINC001267684837 808471392 /nfs/dbraw/zinc/47/13/92/808471392.db2.gz SOMXETRGEHCQRU-GDBMZVCRSA-N 1 1 298.858 3.122 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@H+](CC(CC)CC)C2)CCC1 ZINC001267729674 808478774 /nfs/dbraw/zinc/47/87/74/808478774.db2.gz BZRLWTDMTDTPSG-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001267766329 808486474 /nfs/dbraw/zinc/48/64/74/808486474.db2.gz ACHDEVFYZPSXJN-ARFHVFGLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC(C)(C)CC(=O)N(C)[C@H]1CC[N@H+](CC/C=C/CC)C1 ZINC001267764005 808486725 /nfs/dbraw/zinc/48/67/25/808486725.db2.gz QOTGHWHVQCPWEM-FDMDGMSGSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C2(F)CCCC2)C1 ZINC001267766785 808487007 /nfs/dbraw/zinc/48/70/07/808487007.db2.gz DXNHGHHTISGLJN-HUUCEWRRSA-N 1 1 296.430 3.156 20 30 CGEDMO CO[C@H]1CCC[C@@H]([N@@H+](CCC#N)Cc2ccccc2)C1 ZINC001172931956 808487537 /nfs/dbraw/zinc/48/75/37/808487537.db2.gz MFZRILCDMCDRNH-SJORKVTESA-N 1 1 272.392 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)C2CCCC2)C1 ZINC001267778683 808490296 /nfs/dbraw/zinc/49/02/96/808490296.db2.gz FUNSRWRROJWADM-NVXWUHKLSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)C2CCCC2)C1 ZINC001267777834 808490553 /nfs/dbraw/zinc/49/05/53/808490553.db2.gz UIZZAOCGPCLWKC-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)CC(C)(C)CC)C1 ZINC001267786979 808491140 /nfs/dbraw/zinc/49/11/40/808491140.db2.gz SSPFDWQHKBLRSN-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO CO[C@@H]1CCC[C@@H]([N@@H+](CCC#N)C2CCCC2)C1 ZINC001172942954 808491168 /nfs/dbraw/zinc/49/11/68/808491168.db2.gz RNDWKNBCOUOMQC-HUUCEWRRSA-N 1 1 250.386 3.102 20 30 CGEDMO CC#CCCCC(=O)N(CC)[C@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001267790819 808493753 /nfs/dbraw/zinc/49/37/53/808493753.db2.gz MQRSVDGQHKLPTQ-KRWDZBQOSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001267962786 808521700 /nfs/dbraw/zinc/52/17/00/808521700.db2.gz UPHQMRDYENVHOE-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)[C@H]1CCC(C)=C(C)C1 ZINC001268240200 808566203 /nfs/dbraw/zinc/56/62/03/808566203.db2.gz UZXXWQJINLFNKE-INIZCTEOSA-N 1 1 278.440 3.089 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)[C@@H]2CC=CCC2)C1 ZINC001268247816 808567489 /nfs/dbraw/zinc/56/74/89/808567489.db2.gz GDNCSKLBVGNBHC-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3)CC[C@@H]21 ZINC001268260455 808572333 /nfs/dbraw/zinc/57/23/33/808572333.db2.gz VKOLGVXAKKSUPG-MSOLQXFVSA-N 1 1 298.430 3.189 20 30 CGEDMO C=CCOC1CCC([N@@H+](CC)Cc2ccncc2)CC1 ZINC001173319487 808610285 /nfs/dbraw/zinc/61/02/85/808610285.db2.gz JSKFUCBQEHSKMS-UHFFFAOYSA-N 1 1 274.408 3.417 20 30 CGEDMO C=CCOC1CCC([N@H+]2CC[C@@H](c3ccncc3)C2)CC1 ZINC001173320247 808611431 /nfs/dbraw/zinc/61/14/31/808611431.db2.gz JPGYDUSGVDKINV-WWDZGPRUSA-N 1 1 286.419 3.385 20 30 CGEDMO C=CCOC1CCC([N@H+]2CCC[C@@H](F)CC2)CC1 ZINC001173322122 808611573 /nfs/dbraw/zinc/61/15/73/808611573.db2.gz VNKZXGBWLYDIQD-WLYUNCDWSA-N 1 1 255.377 3.324 20 30 CGEDMO C=CCOC1CCC([N@H+]2CCC[C@@H](C#N)CC2)CC1 ZINC001173327134 808613247 /nfs/dbraw/zinc/61/32/47/808613247.db2.gz GQIUECLFFZEVFE-QQFBHYJXSA-N 1 1 262.397 3.126 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)c1sccc1Cl ZINC001268731067 808618184 /nfs/dbraw/zinc/61/81/84/808618184.db2.gz LSXDTFKZEABGKY-SNVBAGLBSA-N 1 1 286.828 3.028 20 30 CGEDMO CCOC(=O)[C@H]1C[C@H](C)CC[N@H+]1C1CCC(CC#N)CC1 ZINC001173337244 808618471 /nfs/dbraw/zinc/61/84/71/808618471.db2.gz CUDOLWFRBBWIES-PRLABOORSA-N 1 1 292.423 3.122 20 30 CGEDMO C[C@@H]1c2cccn2CC[N@H+]1C1CCC(CC#N)CC1 ZINC001173337707 808618778 /nfs/dbraw/zinc/61/87/78/808618778.db2.gz RXZRNOHYPXNUKG-WLYUNCDWSA-N 1 1 257.381 3.337 20 30 CGEDMO C=CCCCC(=O)N[C@@H](C)C[N@@H+](C)Cc1cccc(F)c1 ZINC001268743759 808619820 /nfs/dbraw/zinc/61/98/20/808619820.db2.gz UTLGEVGFPGZYOE-AWEZNQCLSA-N 1 1 292.398 3.119 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)C[C@@H](C)c1ccccc1 ZINC001268755530 808623507 /nfs/dbraw/zinc/62/35/07/808623507.db2.gz AKCQCXPARLIFPT-HZPDHXFCSA-N 1 1 288.435 3.193 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](CC)C(C)(C)C ZINC001268979026 808640272 /nfs/dbraw/zinc/64/02/72/808640272.db2.gz SXTALFZSXXZCSG-JYJNAYRXSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)CCCCC)C1 ZINC001269069407 808646301 /nfs/dbraw/zinc/64/63/01/808646301.db2.gz NDRXQDOBSJAFHL-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO CC1(C#N)CCC([NH+]2CCN(CC3CCCC3)CC2)CC1 ZINC001173596522 808649969 /nfs/dbraw/zinc/64/99/69/808649969.db2.gz ZKMBFAKHCZMQQB-UHFFFAOYSA-N 1 1 289.467 3.267 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CCC[C@H]2c2ncccn2)CC1 ZINC001173597504 808650973 /nfs/dbraw/zinc/65/09/73/808650973.db2.gz WJVFDSONNSMWKN-BBBYJDLNSA-N 1 1 270.380 3.086 20 30 CGEDMO C=C(C)C[N@H+](CC)C1CCC2(C[C@H]2C(=O)OCC)CC1 ZINC001173623768 808655851 /nfs/dbraw/zinc/65/58/51/808655851.db2.gz SEMWRJQPWMEWMV-CKDBGZEDSA-N 1 1 279.424 3.396 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H]1CC[N@@H+]1C/C=C\c1ccccc1 ZINC001269272966 808662422 /nfs/dbraw/zinc/66/24/22/808662422.db2.gz QBXTWSOTIOMBNM-SDMNGIDPSA-N 1 1 298.430 3.103 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H]1CC[N@H+]1C/C=C\c1ccccc1 ZINC001269272966 808662428 /nfs/dbraw/zinc/66/24/28/808662428.db2.gz QBXTWSOTIOMBNM-SDMNGIDPSA-N 1 1 298.430 3.103 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)C2(CCCC)CC2)C1 ZINC001269274599 808663872 /nfs/dbraw/zinc/66/38/72/808663872.db2.gz MRGSFAULKXINRL-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C)CCCC)C2)C1 ZINC001269686855 808697831 /nfs/dbraw/zinc/69/78/31/808697831.db2.gz RCHPLFAXPACVRX-SJLPKXTDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)c2ccc(Cl)o2)C1 ZINC001269750305 808702199 /nfs/dbraw/zinc/70/21/99/808702199.db2.gz ALSOGGWRKXKKSA-LLVKDONJSA-N 1 1 296.798 3.044 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@]1(C)CC[N@H+](C[C@H](C)CC)C1 ZINC001270590761 808738015 /nfs/dbraw/zinc/73/80/15/808738015.db2.gz RVJSALVETYXEDJ-QAPCUYQASA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@H](C)CC ZINC001272042330 808794622 /nfs/dbraw/zinc/79/46/22/808794622.db2.gz CXFNDXJIEBRPKW-BRWVUGGUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)[C@@H](C)[C@@H](C)C(C)(C)C ZINC001272131179 808798789 /nfs/dbraw/zinc/79/87/89/808798789.db2.gz BCSLVFIJOLGVSF-LSDHHAIUSA-N 1 1 282.472 3.271 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C3(C)CCC3)CC[C@@H]21 ZINC001272215643 808800061 /nfs/dbraw/zinc/80/00/61/808800061.db2.gz ITOXSQKIGQXUNL-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]2CN(C(=O)C3CCCC3)CC[C@H]21 ZINC001272193144 808800831 /nfs/dbraw/zinc/80/08/31/808800831.db2.gz GHYHIWFGYKTTNO-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO CCCCCCC[C@H](C)C(=O)N1CC2(C1)CC[N@@H+](C)C2 ZINC001272293640 808804137 /nfs/dbraw/zinc/80/41/37/808804137.db2.gz LTTXDDHTLUOBNA-HNNXBMFYSA-N 1 1 280.456 3.147 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2cccc(C)c2C)C1=O ZINC001272678408 808820168 /nfs/dbraw/zinc/82/01/68/808820168.db2.gz MAIANBCADUHJGT-LJQANCHMSA-N 1 1 298.430 3.056 20 30 CGEDMO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccc(C)c1C ZINC001272678729 808820304 /nfs/dbraw/zinc/82/03/04/808820304.db2.gz SGDGDXSMZNIPKZ-QZTJIDSGSA-N 1 1 298.430 3.055 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC=C(C)C ZINC001273495516 808849354 /nfs/dbraw/zinc/84/93/54/808849354.db2.gz ZVKVVONHKWHIOU-IAGOWNOFSA-N 1 1 290.451 3.374 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@]12CCN([C@H](C)CC)C2=O ZINC001273495187 808850290 /nfs/dbraw/zinc/85/02/90/808850290.db2.gz PUDDRLJQEPJETM-NVXWUHKLSA-N 1 1 278.440 3.208 20 30 CGEDMO C#CCC[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[C@H]1CCC ZINC001273530575 808852565 /nfs/dbraw/zinc/85/25/65/808852565.db2.gz RRFBRBGVPONAAC-SJORKVTESA-N 1 1 292.467 3.006 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H]2OCCN(C3CCCC3)[C@H]2C1 ZINC001275130839 808914584 /nfs/dbraw/zinc/91/45/84/808914584.db2.gz INAMKEBCWRRAOI-ROUUACIJSA-N 1 1 294.483 3.284 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@@H]2C[N@H+](C)C[C@H](C)CC)C1 ZINC001275143414 808915830 /nfs/dbraw/zinc/91/58/30/808915830.db2.gz LNZUPWAPSBLDLO-GDBMZVCRSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](CC)CCC ZINC001275150528 808918057 /nfs/dbraw/zinc/91/80/57/808918057.db2.gz ITRCVKHKDIEUQJ-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](CC)CC(C)C ZINC001275160510 808918300 /nfs/dbraw/zinc/91/83/00/808918300.db2.gz NKOJPXDPTWFKRQ-SJORKVTESA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)CCC(F)(F)F ZINC001275528169 808944058 /nfs/dbraw/zinc/94/40/58/808944058.db2.gz MADMYNBTTZTNBH-NWDGAFQWSA-N 1 1 294.361 3.120 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)C1=CCCCCC1 ZINC001275543787 808947885 /nfs/dbraw/zinc/94/78/85/808947885.db2.gz FAOGTKRIYJKSHW-HNNXBMFYSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@H](C)NC(=O)Cc1ccccc1 ZINC001275593126 808950631 /nfs/dbraw/zinc/95/06/31/808950631.db2.gz YNDJTLVXYPIRPP-HOTGVXAUSA-N 1 1 288.435 3.020 20 30 CGEDMO Cc1ccc(CN2CCC[C@]3(CCC[N@H+](C)C3)C2)c(C#N)c1 ZINC001275615878 808951445 /nfs/dbraw/zinc/95/14/45/808951445.db2.gz CJBCQDPYUBLQIX-IBGZPJMESA-N 1 1 297.446 3.175 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)C1(C)CCCCC1 ZINC001275636905 808954812 /nfs/dbraw/zinc/95/48/12/808954812.db2.gz HRZRTRWCFWONAR-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC(=O)NC[C@H](C)[N@@H+](C)[C@H](C)c1ccccc1 ZINC001275780778 808965180 /nfs/dbraw/zinc/96/51/80/808965180.db2.gz HQQYRPVADSYFSP-LSDHHAIUSA-N 1 1 274.408 3.150 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1oc(C)cc1C ZINC001275800406 808966694 /nfs/dbraw/zinc/96/66/94/808966694.db2.gz JMGKVHSIJGVJOX-KGLIPLIRSA-N 1 1 292.423 3.301 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)c1ccc(CC)s1 ZINC001275874313 808973128 /nfs/dbraw/zinc/97/31/28/808973128.db2.gz RKAJJWSPHRPCLU-CYBMUJFWSA-N 1 1 294.464 3.327 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)c1occc1C(C)C ZINC001275913006 808975788 /nfs/dbraw/zinc/97/57/88/808975788.db2.gz PWFSQWFELCSDOS-CQSZACIVSA-N 1 1 292.423 3.419 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)C(C)(C)C(C)(F)F ZINC001275987880 808982497 /nfs/dbraw/zinc/98/24/97/808982497.db2.gz VOBOLAQFQBYQMQ-GFCCVEGCSA-N 1 1 290.398 3.071 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)c1ccoc1C(C)C ZINC001276012526 808984407 /nfs/dbraw/zinc/98/44/07/808984407.db2.gz QWTQSHATWRURKJ-ZDUSSCGKSA-N 1 1 278.396 3.029 20 30 CGEDMO N#Cc1cc(-n2c[nH+]c3cccc(N)c32)ccc1Cl ZINC001174403220 808999023 /nfs/dbraw/zinc/99/90/23/808999023.db2.gz HASNENKGUCWTBE-UHFFFAOYSA-N 1 1 268.707 3.133 20 30 CGEDMO C=CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)C=C1CCC1 ZINC001276290912 808999920 /nfs/dbraw/zinc/99/99/20/808999920.db2.gz UKAWMZURHXVNBF-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCCC3(CN(C)C3)C2)CC1 ZINC001276473348 809012630 /nfs/dbraw/zinc/01/26/30/809012630.db2.gz WRMCUWBLHMBMIM-QGZVFWFLSA-N 1 1 274.452 3.317 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)CC2(C)CCCC2)C(C)(C)C1 ZINC001276580868 809018714 /nfs/dbraw/zinc/01/87/14/809018714.db2.gz VUVSQPZJSPXPKQ-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1C[N@H+](CCC(C)C)CC1(C)C ZINC001276587242 809019448 /nfs/dbraw/zinc/01/94/48/809019448.db2.gz ZEIUBVUQSSZMSN-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]1CNC(=O)C1CC(C)C1 ZINC001276821695 809034993 /nfs/dbraw/zinc/03/49/93/809034993.db2.gz ILYJBWXYETXIIV-GPANFISMSA-N 1 1 280.456 3.193 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)CCCC)C2)C1 ZINC001276847889 809038159 /nfs/dbraw/zinc/03/81/59/809038159.db2.gz RATOTVTYADKEKY-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO CCCCCCCCC[N@H+]1CCc2cc(C(N)=O)[nH]c2C1 ZINC001277233229 809064821 /nfs/dbraw/zinc/06/48/21/809064821.db2.gz KXXRETLUVKKGQQ-UHFFFAOYSA-N 1 1 291.439 3.222 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCC)C1 ZINC001277284560 809067442 /nfs/dbraw/zinc/06/74/42/809067442.db2.gz LVTROCUCPUCGQQ-SJORKVTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)CC ZINC001277339993 809069467 /nfs/dbraw/zinc/06/94/67/809069467.db2.gz NTJIQAYRGNBIKC-XHSDSOJGSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC(=C)C ZINC001277346032 809069557 /nfs/dbraw/zinc/06/95/57/809069557.db2.gz PNQAOONTNGYGKQ-SJORKVTESA-N 1 1 290.451 3.374 20 30 CGEDMO C=CCCCC(=O)N1CC[C@@]2(CC[N@H+](C/C=C\Cl)C2)C1 ZINC001277530808 809078256 /nfs/dbraw/zinc/07/82/56/809078256.db2.gz GRMVMSLNYYWZHG-MEMKZHQFSA-N 1 1 296.842 3.020 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C3(CCC)CC3)C2)C1 ZINC001277531666 809079438 /nfs/dbraw/zinc/07/94/38/809079438.db2.gz SSLSXORWBJPHDC-QGZVFWFLSA-N 1 1 290.451 3.067 20 30 CGEDMO CCCC[C@H](CC)C[N@H+]1C[C@H]2C[C@@H](C1)N(CCC#N)C2 ZINC001277936831 809107173 /nfs/dbraw/zinc/10/71/73/809107173.db2.gz QSOVAKTZTNPNLV-BBWFWOEESA-N 1 1 277.456 3.123 20 30 CGEDMO N#CCCCCN1CCC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1 ZINC001277947927 809108786 /nfs/dbraw/zinc/10/87/86/809108786.db2.gz AQSCZKQBVMGMPU-GOSISDBHSA-N 1 1 289.467 3.411 20 30 CGEDMO N#CCCCCN1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001277947927 809108791 /nfs/dbraw/zinc/10/87/91/809108791.db2.gz AQSCZKQBVMGMPU-GOSISDBHSA-N 1 1 289.467 3.411 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@H](C)CC)C2 ZINC001278336022 809126276 /nfs/dbraw/zinc/12/62/76/809126276.db2.gz OBMMDFRAAGGPAI-SJLPKXTDSA-N 1 1 292.467 3.313 20 30 CGEDMO CC(C)(C)C#CC(=O)N[C@@]1(C)CC[N@H+](CCC(C)(C)C)C1 ZINC001278389188 809129812 /nfs/dbraw/zinc/12/98/12/809129812.db2.gz QZYHGGCDGNPBFC-SFHVURJKSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C(=C)C)[C@H]1C ZINC001278516349 809138486 /nfs/dbraw/zinc/13/84/86/809138486.db2.gz RGABNJRPWZMNQZ-CABCVRRESA-N 1 1 278.440 3.134 20 30 CGEDMO C#CCCCCC(=O)N[C@H]1CCC[N@H+](CCC(C)C)[C@H]1C ZINC001278503895 809138913 /nfs/dbraw/zinc/13/89/13/809138913.db2.gz AKJJDVUFWDYRIB-IRXDYDNUSA-N 1 1 292.467 3.195 20 30 CGEDMO C#CCCCC(=O)N[C@H]1CCC[N@H+](CCCCCC)[C@H]1C ZINC001278505859 809139475 /nfs/dbraw/zinc/13/94/75/809139475.db2.gz LRNFWXXMTUNWFE-IRXDYDNUSA-N 1 1 292.467 3.339 20 30 CGEDMO C=CCCCC(=O)NC[C@@]1(C)CCC[N@H+](CC(=C)C)C1 ZINC001278678141 809152082 /nfs/dbraw/zinc/15/20/82/809152082.db2.gz OUJUIWRVIFPDDP-QGZVFWFLSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)CCN(C(=O)C(C)(F)F)C(C)C ZINC001278888997 809154095 /nfs/dbraw/zinc/15/40/95/809154095.db2.gz JELAGGRQUPXSMW-ZDUSSCGKSA-N 1 1 290.398 3.165 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@@H](C)CCCC)CC1 ZINC001279544136 809174958 /nfs/dbraw/zinc/17/49/58/809174958.db2.gz DWNLTYIUUTWYMU-HNNXBMFYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CCC[N@H+](CC(CC)CC)CC1 ZINC001280710578 809196460 /nfs/dbraw/zinc/19/64/60/809196460.db2.gz RNGIVPWUCUMJLI-MRXNPFEDSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC(=O)N(C)CCC[N@@H+](C)CC1CC2(CCC2)C1 ZINC001280793603 809198860 /nfs/dbraw/zinc/19/88/60/809198860.db2.gz MWYLUIGWXRUHOV-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)CCC)C(C)(C)C1 ZINC001281542867 809214130 /nfs/dbraw/zinc/21/41/30/809214130.db2.gz XPSBDZIFGOCUBT-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)CC(C)(C)CC)C(C)(C)C1 ZINC001281555185 809215632 /nfs/dbraw/zinc/21/56/32/809215632.db2.gz FRYZOTRSPQYNDZ-HNNXBMFYSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCC(C)C)C[C@H]1C ZINC001281650870 809216088 /nfs/dbraw/zinc/21/60/88/809216088.db2.gz GIHLMCGTVRETEF-KGLIPLIRSA-N 1 1 286.847 3.144 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCC(C)C)C[C@H]1C ZINC001281650870 809216094 /nfs/dbraw/zinc/21/60/94/809216094.db2.gz GIHLMCGTVRETEF-KGLIPLIRSA-N 1 1 286.847 3.144 20 30 CGEDMO C#CCCCCC(=O)N[C@@H]1CC[N@@H+](CCCC=C)[C@H](C)C1 ZINC001281660419 809217003 /nfs/dbraw/zinc/21/70/03/809217003.db2.gz XEYVTOCBPMRKOT-IAGOWNOFSA-N 1 1 290.451 3.115 20 30 CGEDMO C=CCC[N@H+](CC)CC1CCN(C(=O)/C(C)=C/C)CC1 ZINC001281830448 809221110 /nfs/dbraw/zinc/22/11/10/809221110.db2.gz HMRLUEBQWHHKHT-GIDUJCDVSA-N 1 1 278.440 3.089 20 30 CGEDMO C/C=C/C[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccn2)C1 ZINC001175055090 809255386 /nfs/dbraw/zinc/25/53/86/809255386.db2.gz UMCPLYPNAMJYAD-BAABZTOOSA-N 1 1 255.365 3.131 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H](NC(=O)C2(C)CC2)C(C)(C)C1 ZINC001282808961 809264145 /nfs/dbraw/zinc/26/41/45/809264145.db2.gz ALDRBNDTWDNTSM-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCC(=C)C)C[C@H]2C1 ZINC001282947755 809266615 /nfs/dbraw/zinc/26/66/15/809266615.db2.gz LXAOWFJZLNSICR-ULQDDVLXSA-N 1 1 290.451 3.136 20 30 CGEDMO CC(C)C#CC(=O)N[C@H]1CCC[N@H+](CCCC(C)C)[C@@H]1C ZINC001284121683 809296663 /nfs/dbraw/zinc/29/66/63/809296663.db2.gz LAOHDLYYDHSKRP-SJORKVTESA-N 1 1 292.467 3.051 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)CCN(C(=O)C(C)(C)F)C(C)C ZINC001284527844 809306606 /nfs/dbraw/zinc/30/66/06/809306606.db2.gz QZYCFLUGALFRTL-CQSZACIVSA-N 1 1 286.435 3.258 20 30 CGEDMO C#CC[N@H+](C)CCN(C(=O)C1CCCCCCC1)C(C)C ZINC001284543370 809307850 /nfs/dbraw/zinc/30/78/50/809307850.db2.gz FUTKQVNZQKLBRR-UHFFFAOYSA-N 1 1 292.467 3.149 20 30 CGEDMO N#Cc1ccc(NC2=CC[N@@H+](Cc3ccccc3)CC2)cn1 ZINC001175505090 809433399 /nfs/dbraw/zinc/43/33/99/809433399.db2.gz NWLAWRBJOVASBB-UHFFFAOYSA-N 1 1 290.370 3.155 20 30 CGEDMO C=CCCCC[N@H+]1CCOC[C@H]1c1ccc(OC)cc1 ZINC001175638388 809484224 /nfs/dbraw/zinc/48/42/24/809484224.db2.gz KZHDCLBNTSVROV-KRWDZBQOSA-N 1 1 275.392 3.425 20 30 CGEDMO C=CCCCC[N@@H+]1CCOC[C@H]1c1ccc(OC)cc1 ZINC001175638388 809484227 /nfs/dbraw/zinc/48/42/27/809484227.db2.gz KZHDCLBNTSVROV-KRWDZBQOSA-N 1 1 275.392 3.425 20 30 CGEDMO C#CCCCCC(=O)Nc1c[nH+]ccc1Nc1ccccc1 ZINC001300171623 809563389 /nfs/dbraw/zinc/56/33/89/809563389.db2.gz MSSMXQPPZHUUAA-UHFFFAOYSA-N 1 1 293.370 3.379 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]2[C@@H](C(=O)OCC)[C@H]2C1 ZINC001176105970 809623190 /nfs/dbraw/zinc/62/31/90/809623190.db2.gz SBOBQDNTSXHNEK-QLFBSQMISA-N 1 1 267.413 3.088 20 30 CGEDMO C=CCC[C@@H]1CCC[N@H+]1C[C@H]1CCC[C@]2(CCOC2)O1 ZINC001176771248 809759819 /nfs/dbraw/zinc/75/98/19/809759819.db2.gz JDQKUQMAVKTROE-BRWVUGGUSA-N 1 1 279.424 3.145 20 30 CGEDMO C/C(=C/c1ccccc1)C[NH2+]Cc1nc(C#N)cs1 ZINC001179680985 809935993 /nfs/dbraw/zinc/93/59/93/809935993.db2.gz FWIKGHSCNHFZGG-GHXNOFRVSA-N 1 1 269.373 3.208 20 30 CGEDMO C=CCC[C@H]([NH2+][C@H]1CCC[C@H](C2CC2)C1)C(=O)OCC ZINC001181826924 810074868 /nfs/dbraw/zinc/07/48/68/810074868.db2.gz IEJUVJUKILIWBA-JYJNAYRXSA-N 1 1 279.424 3.443 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)CC1CCC(C)(C)CC1 ZINC001185980753 810306544 /nfs/dbraw/zinc/30/65/44/810306544.db2.gz OFANMMDDPGILQU-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)CCCC)[C@@H]2C1 ZINC001186975924 810376426 /nfs/dbraw/zinc/37/64/26/810376426.db2.gz OOTHVDZUMQEBBG-IXDOHACOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]2C[N@H+](C[C@@H](C)CC(C)C)C[C@H]21 ZINC001187240667 810391377 /nfs/dbraw/zinc/39/13/77/810391377.db2.gz WBHLHSBWXPXXGC-YESZJQIVSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C(F)=C(C)C)[C@@H]2C1 ZINC001187510793 810402522 /nfs/dbraw/zinc/40/25/22/810402522.db2.gz MFWOUQYVAZXQTJ-SOUVJXGZSA-N 1 1 294.414 3.137 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)C2CCC2)C1 ZINC001188579215 810489594 /nfs/dbraw/zinc/48/95/94/810489594.db2.gz AFMXFDHTQIIHQR-INIZCTEOSA-N 1 1 280.456 3.290 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CC2CCCC2)C1 ZINC001188703513 810504717 /nfs/dbraw/zinc/50/47/17/810504717.db2.gz YTZWQVDHCPYSMP-WBVHZDCISA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(C)o2)C1 ZINC001188737510 810510548 /nfs/dbraw/zinc/51/05/48/810510548.db2.gz MSTKJKXFQHYOCP-DZGCQCFKSA-N 1 1 290.407 3.089 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)c2ccoc2C)C1 ZINC001188784269 810514020 /nfs/dbraw/zinc/51/40/20/810514020.db2.gz INPPHCWVWMLFCM-ZFWWWQNUSA-N 1 1 290.407 3.089 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CCCC)C1 ZINC001188936083 810524156 /nfs/dbraw/zinc/52/41/56/810524156.db2.gz YNBCIQMJRCPIGW-LSDHHAIUSA-N 1 1 266.429 3.064 20 30 CGEDMO C=CCCC(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001189319078 810559021 /nfs/dbraw/zinc/55/90/21/810559021.db2.gz UARDNVDTSWLZEE-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)CCC2CC2)C1 ZINC001189450201 810570206 /nfs/dbraw/zinc/57/02/06/810570206.db2.gz PAPJRCLQOGLTBX-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)CCC)[C@@H]2C1 ZINC001189544290 810576206 /nfs/dbraw/zinc/57/62/06/810576206.db2.gz OADXHSNAVNHROS-YESZJQIVSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CCCCCC(=O)N1CC[C@H]([N@H+](C)[C@H](C)CCC=C)C1 ZINC001189744355 810586774 /nfs/dbraw/zinc/58/67/74/810586774.db2.gz QKJRXHANQHSQRK-SJORKVTESA-N 1 1 290.451 3.067 20 30 CGEDMO C#CCCCCC(=O)N1CC[C@@H]([N@H+](C)CCCCCC)C1 ZINC001189751919 810588245 /nfs/dbraw/zinc/58/82/45/810588245.db2.gz KKYCREIHOKWEDA-QGZVFWFLSA-N 1 1 292.467 3.293 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)CC2(C)CCCC2)C1 ZINC001189963209 810599601 /nfs/dbraw/zinc/59/96/01/810599601.db2.gz KJMPPUSLASPTIC-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)Cc1ccc(C(=O)N[C@@]2(C)CCC[N@H+](C)C2)cc1 ZINC001190238590 810613295 /nfs/dbraw/zinc/61/32/95/810613295.db2.gz BQISMJBJQUDTKN-SFHVURJKSA-N 1 1 286.419 3.019 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001190307170 810618720 /nfs/dbraw/zinc/61/87/20/810618720.db2.gz HQGJKBTWAKSTQN-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@]2(C)CC=CCC2)C1 ZINC001190337075 810619908 /nfs/dbraw/zinc/61/99/08/810619908.db2.gz NDLHZJGICBYYQP-SJLPKXTDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[C@H]([N@H+](C)C[C@H](C)CC)C1 ZINC001190353933 810621822 /nfs/dbraw/zinc/62/18/22/810621822.db2.gz DWGHKIPGHIKMQD-WBVHZDCISA-N 1 1 292.467 3.334 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)CC(C)(C)CC)C1 ZINC001190361020 810624058 /nfs/dbraw/zinc/62/40/58/810624058.db2.gz ASVKMXMWRRLWLR-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@@H]([N@@H+](C)CC=C(C)C)C1 ZINC001190388639 810625152 /nfs/dbraw/zinc/62/51/52/810625152.db2.gz OBCGIZPGKOIWDJ-OAHLLOKOSA-N 1 1 278.440 3.088 20 30 CGEDMO CCCCCCCCC[N@@H+](C)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC001190494049 810630078 /nfs/dbraw/zinc/63/00/78/810630078.db2.gz NKTHMWWQAHWQCZ-IKGGRYGDSA-N 1 1 283.456 3.473 20 30 CGEDMO CC[N@@H+](C[C@H](C)C#N)C[C@H]1CCCC12CCOCC2 ZINC001190642782 810641742 /nfs/dbraw/zinc/64/17/42/810641742.db2.gz HRWMNLFPSWJLCI-HUUCEWRRSA-N 1 1 264.413 3.065 20 30 CGEDMO C=C/C=C\CC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC001190819774 810650974 /nfs/dbraw/zinc/65/09/74/810650974.db2.gz YCBCUPGTYSOXJQ-ARJAWSKDSA-N 1 1 281.403 3.203 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C[C@H]2C=CCCC2)C1 ZINC001190869037 810654155 /nfs/dbraw/zinc/65/41/55/810654155.db2.gz JCZBBEIKUFQWLL-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[C@@H](C(=O)OC)[N@H+](C)CC(C)(C)c1ccc(C)cc1 ZINC001191244238 810692710 /nfs/dbraw/zinc/69/27/10/810692710.db2.gz HEIJHMXPJUTYRY-INIZCTEOSA-N 1 1 289.419 3.322 20 30 CGEDMO C=CC[C@@H](C(=O)OC)[N@@H+](C)CC(C)(C)c1ccc(C)cc1 ZINC001191244238 810692715 /nfs/dbraw/zinc/69/27/15/810692715.db2.gz HEIJHMXPJUTYRY-INIZCTEOSA-N 1 1 289.419 3.322 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)C2CCC3(CC3)CC2)C1 ZINC001191383630 810709018 /nfs/dbraw/zinc/70/90/18/810709018.db2.gz WCGQADOTUCANJB-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C2(CCC)CCC2)C1 ZINC001191858919 810752233 /nfs/dbraw/zinc/75/22/33/810752233.db2.gz FIYPOQNLMDJVGB-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC[C@@H]([N@@H+](C)CCCCCF)C1 ZINC001191889043 810753710 /nfs/dbraw/zinc/75/37/10/810753710.db2.gz ADVUNQMQWADACK-JKSUJKDBSA-N 1 1 298.446 3.261 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)C2(CCCC)CC2)C1 ZINC001192189807 810774122 /nfs/dbraw/zinc/77/41/22/810774122.db2.gz HTUWSNCBNNVLSA-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C2CCC(=C)CC2)C1 ZINC001192181147 810774218 /nfs/dbraw/zinc/77/42/18/810774218.db2.gz RJPWCLLLVSWHTC-KRWDZBQOSA-N 1 1 290.451 3.232 20 30 CGEDMO CCCCCCC[C@H](C)NC(=O)N1CC[NH+](C2CC2)CC1 ZINC001192920205 810829748 /nfs/dbraw/zinc/82/97/48/810829748.db2.gz XHXYKHJUOFAAOG-HNNXBMFYSA-N 1 1 295.471 3.225 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)C2(CC)CCCC2)C1 ZINC001193171241 810861787 /nfs/dbraw/zinc/86/17/87/810861787.db2.gz SVJTVYVUGMXDOE-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO CC[N@@H+](Cc1cc(C#N)ccn1)[C@H]1CCCC[C@H]1C ZINC001193412190 810885302 /nfs/dbraw/zinc/88/53/02/810885302.db2.gz AEHSHYXECGAZIF-CJNGLKHVSA-N 1 1 257.381 3.354 20 30 CGEDMO CC#CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001193417136 810885673 /nfs/dbraw/zinc/88/56/73/810885673.db2.gz MPLAYSDSRSASGN-JKSUJKDBSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCN(C)CC[N@@H+](CC)CCCc1c(F)cccc1F ZINC001193914280 810978688 /nfs/dbraw/zinc/97/86/88/810978688.db2.gz RZGKDZZCSCWCBM-UHFFFAOYSA-N 1 1 296.405 3.337 20 30 CGEDMO C=CC[C@@H]1[N@@H+](C/C=C/C(=O)OCC)CCCC1(C)C ZINC001193920928 810980463 /nfs/dbraw/zinc/98/04/63/810980463.db2.gz QZKWVBXBCGLAJZ-RNVIBTMRSA-N 1 1 265.397 3.172 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCC[C@H]1C(=O)OC ZINC001193943492 810981807 /nfs/dbraw/zinc/98/18/07/810981807.db2.gz ZZGNPUYNPOPUQI-RRFJBIMHSA-N 1 1 265.397 3.006 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001194529569 811086023 /nfs/dbraw/zinc/08/60/23/811086023.db2.gz CATWPCWLIICBLC-AWEZNQCLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCC[N@H+]1CCN(Cc2ccccc2)C(=O)C1(C)C ZINC001194674154 811104645 /nfs/dbraw/zinc/10/46/45/811104645.db2.gz CDXPZZQWTHNQQW-UHFFFAOYSA-N 1 1 286.419 3.076 20 30 CGEDMO CCCC[N@@H+](CC#CCOC)[C@H]1CCC[C@@H](C)C1 ZINC001194715334 811114282 /nfs/dbraw/zinc/11/42/82/811114282.db2.gz MMFQVJNHFQCEKT-CVEARBPZSA-N 1 1 251.414 3.317 20 30 CGEDMO CCCCCCCCCOC(=O)N1CC[N@H+]2CC[C@H]2C1 ZINC001194913630 811169070 /nfs/dbraw/zinc/16/90/70/811169070.db2.gz FYJGLICVRXYXJF-HNNXBMFYSA-N 1 1 282.428 3.264 20 30 CGEDMO CCCCCCCCCOC(=O)N[C@@H]1CC[N@@H+](C)C1 ZINC001194919785 811170406 /nfs/dbraw/zinc/17/04/06/811170406.db2.gz JJSRBKVSSZQPGH-CQSZACIVSA-N 1 1 270.417 3.167 20 30 CGEDMO CC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CC(C)(C)C1 ZINC001195084218 811198029 /nfs/dbraw/zinc/19/80/29/811198029.db2.gz MYXZIUAUVYDMLI-UHFFFAOYSA-N 1 1 299.418 3.397 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)C[C@H](C)C(C)C)CC1 ZINC001195245850 811230618 /nfs/dbraw/zinc/23/06/18/811230618.db2.gz PRFZKSILACPYGB-INIZCTEOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)OCCC ZINC001196058343 811312913 /nfs/dbraw/zinc/31/29/13/811312913.db2.gz ZSIJRZKQKFHGFB-MGPQQGTHSA-N 1 1 253.386 3.053 20 30 CGEDMO C=CCCC[N@H+]1CCCN(C(=O)[C@@H]2CCCC23CC3)CC1 ZINC001196281130 811331937 /nfs/dbraw/zinc/33/19/37/811331937.db2.gz BKKGOSARUUUMIP-INIZCTEOSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H](C)C(CC)CC)CC1 ZINC001196375998 811339205 /nfs/dbraw/zinc/33/92/05/811339205.db2.gz QJPPKQFKESESKX-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C#CCOCC[N@@H+]1CC=C(c2ccc(Cl)cc2C)CC1 ZINC001196708398 811359674 /nfs/dbraw/zinc/35/96/74/811359674.db2.gz RJRRSOWJLOUHFD-UHFFFAOYSA-N 1 1 289.806 3.387 20 30 CGEDMO C#CCCCCCC(=O)N1CCC[N@H+](CCCC=C)CC1 ZINC001196754795 811364018 /nfs/dbraw/zinc/36/40/18/811364018.db2.gz WXQMZGMQFSIXLF-UHFFFAOYSA-N 1 1 290.451 3.071 20 30 CGEDMO C#CCOCC[N@@H+]1CC[C@H](c2cccc(F)c2)C1(C)C ZINC001196798237 811368350 /nfs/dbraw/zinc/36/83/50/811368350.db2.gz IQPGGKLSYKTUEF-MRXNPFEDSA-N 1 1 275.367 3.043 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)CCCC2CC2)CC1 ZINC001196862629 811375537 /nfs/dbraw/zinc/37/55/37/811375537.db2.gz SMGPCGVUKJSKDK-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1CCC[N@@H+](CC2CC(C)C2)CC1 ZINC001196889841 811380555 /nfs/dbraw/zinc/38/05/55/811380555.db2.gz IOCDEVHZLOGCNF-AQFXKWCLSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C2(CF)CCC2)CC1 ZINC001197188272 811404472 /nfs/dbraw/zinc/40/44/72/811404472.db2.gz XSHZZPOMLLQHKH-HNNXBMFYSA-N 1 1 296.430 3.015 20 30 CGEDMO CCCCCCC[N@H+]1CCCN(C(=O)[C@H]2CC23CC3)CC1 ZINC001197263073 811408274 /nfs/dbraw/zinc/40/82/74/811408274.db2.gz WDIHUIMGTBOMHN-MRXNPFEDSA-N 1 1 292.467 3.291 20 30 CGEDMO CC#CC[N@H+]1CCCN(C(=O)C[C@@H](C)CCCCC)CC1 ZINC001197354424 811419631 /nfs/dbraw/zinc/41/96/31/811419631.db2.gz UFBQLCJYCOXEAJ-KRWDZBQOSA-N 1 1 292.467 3.151 20 30 CGEDMO CC#CC[N@@H+]1CCCN(C(=O)C[C@@H](C)CCCCC)CC1 ZINC001197354424 811419634 /nfs/dbraw/zinc/41/96/34/811419634.db2.gz UFBQLCJYCOXEAJ-KRWDZBQOSA-N 1 1 292.467 3.151 20 30 CGEDMO C=CCCCC[N@@H+]1C[C@@H](C(=O)OCC)[C@H](C(F)(F)F)C1 ZINC001197522867 811426697 /nfs/dbraw/zinc/42/66/97/811426697.db2.gz COWAKSMEKSKKGA-VXGBXAGGSA-N 1 1 293.329 3.016 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)CCC2(C)CC2)CC1 ZINC001197692657 811446875 /nfs/dbraw/zinc/44/68/75/811446875.db2.gz VPWTXBHYRMGDQA-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C#CC[C@H]1CC[N@H+]([C@H](CC)C(=O)Nc2ccc(C)cc2)C1 ZINC001197701603 811446988 /nfs/dbraw/zinc/44/69/88/811446988.db2.gz MAYJSMCLTRGHQH-DOTOQJQBSA-N 1 1 284.403 3.057 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)[C@H](CC)CC(C)C)CC1 ZINC001197737697 811450253 /nfs/dbraw/zinc/45/02/53/811450253.db2.gz GNNNXOARGOOARB-MRXNPFEDSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)C[C@@H](CC)C(C)(C)C)CC1 ZINC001197802763 811453506 /nfs/dbraw/zinc/45/35/06/811453506.db2.gz VFRKFWQQLASPPM-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)c2ccc(C)cc2)CC1 ZINC001197933978 811465866 /nfs/dbraw/zinc/46/58/66/811465866.db2.gz HRSUJGOQRXBEKN-UHFFFAOYSA-N 1 1 286.419 3.109 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)[C@@H](CC)CCCCC)CC1 ZINC001198205465 811484964 /nfs/dbraw/zinc/48/49/64/811484964.db2.gz XXIJNKWZDLEATP-INIZCTEOSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)[C@H](CC)CCCCC)CC1 ZINC001198205466 811485098 /nfs/dbraw/zinc/48/50/98/811485098.db2.gz XXIJNKWZDLEATP-MRXNPFEDSA-N 1 1 280.456 3.313 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CCC[C@H](C3CCCC3)C2)n1 ZINC001198705007 811537149 /nfs/dbraw/zinc/53/71/49/811537149.db2.gz GFFHPOIIATUAKU-ZDUSSCGKSA-N 1 1 275.421 3.417 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@H](C3CCCC3)C2)n1 ZINC001198705007 811537153 /nfs/dbraw/zinc/53/71/53/811537153.db2.gz GFFHPOIIATUAKU-ZDUSSCGKSA-N 1 1 275.421 3.417 20 30 CGEDMO CCCCCCCCCNC(=S)NC[C@@H]1CCC[N@H+]1C ZINC001200378158 811684385 /nfs/dbraw/zinc/68/43/85/811684385.db2.gz NGHZMFRBOAQJTR-HNNXBMFYSA-N 1 1 299.528 3.295 20 30 CGEDMO CCCCCCCCCNC(=S)N[C@@H]1CC[N@@H+](CC)C1 ZINC001200380408 811685519 /nfs/dbraw/zinc/68/55/19/811685519.db2.gz PBYSMMYJDYRLKY-OAHLLOKOSA-N 1 1 299.528 3.295 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](C[C@@H](C)CC)CC2 ZINC001201505092 811873239 /nfs/dbraw/zinc/87/32/39/811873239.db2.gz YBTVDSSOFKUHGF-RDJZCZTQSA-N 1 1 278.440 3.066 20 30 CGEDMO CCCCCCC[N@@H+]1CCOC[C@@H]1c1cccnc1 ZINC001201798636 811966344 /nfs/dbraw/zinc/96/63/44/811966344.db2.gz YKDOCTXURUHQCW-MRXNPFEDSA-N 1 1 262.397 3.425 20 30 CGEDMO CCCCCCC[N@H+]1CCOC[C@@H]1c1cccnc1 ZINC001201798636 811966347 /nfs/dbraw/zinc/96/63/47/811966347.db2.gz YKDOCTXURUHQCW-MRXNPFEDSA-N 1 1 262.397 3.425 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001201797745 811967002 /nfs/dbraw/zinc/96/70/02/811967002.db2.gz DVIQJAUDGOYXRZ-ZDUSSCGKSA-N 1 1 261.356 3.457 20 30 CGEDMO CCCCCCCC[N@@H+]1Cc2ncn(C)c2[C@@H](COC)C1 ZINC001201815187 811967264 /nfs/dbraw/zinc/96/72/64/811967264.db2.gz YOHYYNHCQJJWAH-OAHLLOKOSA-N 1 1 293.455 3.326 20 30 CGEDMO CCCCCCCCC[N@H+]1CCO[C@@H]2C[C@H](CO)C[C@H]21 ZINC001201840045 811969762 /nfs/dbraw/zinc/96/97/62/811969762.db2.gz SGBUTFMWVJQDQH-BRWVUGGUSA-N 1 1 283.456 3.209 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@@H](Oc2cnccn2)C1 ZINC001201839367 811969781 /nfs/dbraw/zinc/96/97/81/811969781.db2.gz ANMPHJZISDQWOR-OAHLLOKOSA-N 1 1 277.412 3.290 20 30 CGEDMO CCCCCCCCCN1CC[NH+](CCCOC)CC1 ZINC001201846368 811971443 /nfs/dbraw/zinc/97/14/43/811971443.db2.gz JNDQGELQQSMOKC-UHFFFAOYSA-N 1 1 284.488 3.391 20 30 CGEDMO CCCCCCCCCC[N@H+]1CC[C@]2(CCNC2=O)C1 ZINC001201852680 811972533 /nfs/dbraw/zinc/97/25/33/811972533.db2.gz HCQNVFOUISYIET-QGZVFWFLSA-N 1 1 280.456 3.339 20 30 CGEDMO CCCCCCCCCC[N@@H+]1CCO[C@H](C(C)=O)C1 ZINC001201875195 811973943 /nfs/dbraw/zinc/97/39/43/811973943.db2.gz SIWACKAARFTBGY-INIZCTEOSA-N 1 1 269.429 3.417 20 30 CGEDMO CCCCCCCCCC[N@H+]1CCO[C@H](C(C)=O)C1 ZINC001201875195 811973948 /nfs/dbraw/zinc/97/39/48/811973948.db2.gz SIWACKAARFTBGY-INIZCTEOSA-N 1 1 269.429 3.417 20 30 CGEDMO N#Cc1ccc(O[C@H]2CCC[N@@H+](Cc3ccco3)C2)cc1 ZINC001203284665 812292095 /nfs/dbraw/zinc/29/20/95/812292095.db2.gz KRMWMXACMHXOED-KRWDZBQOSA-N 1 1 282.343 3.195 20 30 CGEDMO N#CC1(c2ccccc2F)CC[NH+](Cc2ccco2)CC1 ZINC001203290059 812294598 /nfs/dbraw/zinc/29/45/98/812294598.db2.gz WNDURKXRLUMEFD-UHFFFAOYSA-N 1 1 284.334 3.476 20 30 CGEDMO COc1cccc(C[N@@H+](CCC#N)C2CCCC2)c1O ZINC001203593264 812403876 /nfs/dbraw/zinc/40/38/76/812403876.db2.gz LOYWTSZBRVOARC-UHFFFAOYSA-N 1 1 274.364 3.059 20 30 CGEDMO COc1cc(C)c(C[N@H+]2CCC[C@@H](C#N)CC2)cc1C ZINC001203760683 812456808 /nfs/dbraw/zinc/45/68/08/812456808.db2.gz RRWYAULTNGOZQE-OAHLLOKOSA-N 1 1 272.392 3.438 20 30 CGEDMO N#Cc1ccc(Nc2c[nH+]c3ccccn23)cc1F ZINC001204036398 812527898 /nfs/dbraw/zinc/52/78/98/812527898.db2.gz GDJACENHEWCKPF-UHFFFAOYSA-N 1 1 252.252 3.089 20 30 CGEDMO Cc1[nH+]c2ccccn2c1Nc1ccc(C#N)c(F)c1 ZINC001204036209 812528030 /nfs/dbraw/zinc/52/80/30/812528030.db2.gz BHRQKTKTQBCGMV-UHFFFAOYSA-N 1 1 266.279 3.397 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]c2ccccc12 ZINC001204048556 812533663 /nfs/dbraw/zinc/53/36/63/812533663.db2.gz NKGDHVWZUGFJOT-XMQYKBBCSA-N 1 1 265.360 3.434 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC001204431990 812636081 /nfs/dbraw/zinc/63/60/81/812636081.db2.gz JJFUUGFQOWKBOT-GFCCVEGCSA-N 1 1 283.293 3.430 20 30 CGEDMO CC(C)C[N@@H+](Cc1cc(C#N)ccc1N(C)C)C(C)C ZINC001204471723 812650823 /nfs/dbraw/zinc/65/08/23/812650823.db2.gz MBFBPMWKQMNSRQ-UHFFFAOYSA-N 1 1 273.424 3.491 20 30 CGEDMO CC[N@@H+](Cc1ccc2scnc2c1)C[C@@H](C)C#N ZINC001204824986 812747417 /nfs/dbraw/zinc/74/74/17/812747417.db2.gz BQOJUBXOQXKCBR-NSHDSACASA-N 1 1 259.378 3.278 20 30 CGEDMO CC[N@H+](Cc1ccc2scnc2c1)C[C@@H](C)C#N ZINC001204824986 812747424 /nfs/dbraw/zinc/74/74/24/812747424.db2.gz BQOJUBXOQXKCBR-NSHDSACASA-N 1 1 259.378 3.278 20 30 CGEDMO C#CCOC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001205006266 812821630 /nfs/dbraw/zinc/82/16/30/812821630.db2.gz HKNURFPBNSSRTL-UHFFFAOYSA-N 1 1 277.367 3.110 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC001205037629 812836154 /nfs/dbraw/zinc/83/61/54/812836154.db2.gz QEBGIXNJRNLFBQ-CYBMUJFWSA-N 1 1 251.757 3.117 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc2[nH]ccc21 ZINC001205289711 812933110 /nfs/dbraw/zinc/93/31/10/812933110.db2.gz GAQBUZRVVHVDFA-XMQYKBBCSA-N 1 1 265.360 3.434 20 30 CGEDMO N#Cc1ccccc1CO[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001205579805 813010136 /nfs/dbraw/zinc/01/01/36/813010136.db2.gz QPHZSRSZJGOSGO-LJQANCHMSA-N 1 1 292.382 3.349 20 30 CGEDMO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cccc(F)c1C#N ZINC001205650804 813042336 /nfs/dbraw/zinc/04/23/36/813042336.db2.gz ULJLKDJJSVNXQM-GOSISDBHSA-N 1 1 291.329 3.346 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](C#C)C1 ZINC001206463580 813327153 /nfs/dbraw/zinc/32/71/53/813327153.db2.gz JTSQYHOVODNEGK-CQSZACIVSA-N 1 1 287.790 3.197 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CCC[C@@H](C#C)C1 ZINC001206463580 813327157 /nfs/dbraw/zinc/32/71/57/813327157.db2.gz JTSQYHOVODNEGK-CQSZACIVSA-N 1 1 287.790 3.197 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC2CC2)C1 ZINC001206707214 813402887 /nfs/dbraw/zinc/40/28/87/813402887.db2.gz XBZFTQFLEHOUHK-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO COc1cccc(C#N)c1Nc1c[nH+]c(N(C)C)cc1C ZINC001206742585 813415558 /nfs/dbraw/zinc/41/55/58/813415558.db2.gz GETHOQPQSVOCNQ-UHFFFAOYSA-N 1 1 282.347 3.080 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1Nc1cc(F)cc(F)c1C#N ZINC001206754571 813423097 /nfs/dbraw/zinc/42/30/97/813423097.db2.gz IPENIULEQFHMQJ-UHFFFAOYSA-N 1 1 288.301 3.350 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C2CC2)C1 ZINC001206765919 813429071 /nfs/dbraw/zinc/42/90/71/813429071.db2.gz FYGWBYACLQYKNI-BFYDXBDKSA-N 1 1 292.467 3.215 20 30 CGEDMO C#CC[N@@H+](Cc1ccnc(CC)n1)[C@@H]1CCc2ccccc21 ZINC001207088273 813482396 /nfs/dbraw/zinc/48/23/96/813482396.db2.gz LNZXEHURBWNNST-GOSISDBHSA-N 1 1 291.398 3.162 20 30 CGEDMO C#CC[N@H+](Cc1ccnc(CC)n1)[C@@H]1CCc2ccccc21 ZINC001207088273 813482402 /nfs/dbraw/zinc/48/24/02/813482402.db2.gz LNZXEHURBWNNST-GOSISDBHSA-N 1 1 291.398 3.162 20 30 CGEDMO C=C(C)C[C@@H]([NH2+][C@H](CC)Cc1ccc(C)cc1)C(=O)OC ZINC001207129454 813492786 /nfs/dbraw/zinc/49/27/86/813492786.db2.gz NVVJZWVDNHZYHY-IAGOWNOFSA-N 1 1 289.419 3.414 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)CC)C[C@H]1C ZINC001207165218 813502507 /nfs/dbraw/zinc/50/25/07/813502507.db2.gz DCEQGTSYNHTXQJ-RRFJBIMHSA-N 1 1 280.456 3.071 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](CC/C=C\CC)C[C@H]1C ZINC001207216412 813517241 /nfs/dbraw/zinc/51/72/41/813517241.db2.gz ZYEOEHWKKJEUBC-JTUDCUDASA-N 1 1 278.440 3.136 20 30 CGEDMO Cc1cc(C[N@H+]2Cc3cccc(O)c3C2)ccc1C#N ZINC001207243547 813521000 /nfs/dbraw/zinc/52/10/00/813521000.db2.gz MYMKZEHVOJSVQC-UHFFFAOYSA-N 1 1 264.328 3.088 20 30 CGEDMO C=CCOC(=O)N[C@H]1CCC[N@@H+](CCC2CCCCC2)C1 ZINC001207260135 813522554 /nfs/dbraw/zinc/52/25/54/813522554.db2.gz RDQYTXRWVSPVRZ-INIZCTEOSA-N 1 1 294.439 3.333 20 30 CGEDMO C=C(C)C[C@H]([NH2+][C@@H]1CCC(C)(C)C1)C(=O)OCC ZINC001207334438 813542562 /nfs/dbraw/zinc/54/25/62/813542562.db2.gz PUTNVCOWRRCQKA-OLZOCXBDSA-N 1 1 253.386 3.053 20 30 CGEDMO C=C(C)C[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)C(=O)OCC ZINC001207334437 813543582 /nfs/dbraw/zinc/54/35/82/813543582.db2.gz PUTNVCOWRRCQKA-CHWSQXEVSA-N 1 1 253.386 3.053 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](CCc2ccc(Br)cc2)C1 ZINC001207385454 813556930 /nfs/dbraw/zinc/55/69/30/813556930.db2.gz ZJBBDHXWXWHDCO-CQSZACIVSA-N 1 1 293.208 3.227 20 30 CGEDMO COc1cccc(CCC[N@H+]2CCC[C@@H](C#N)CC2)c1 ZINC001207572578 813597259 /nfs/dbraw/zinc/59/72/59/813597259.db2.gz CEZNOUZBRRTTAG-MRXNPFEDSA-N 1 1 272.392 3.253 20 30 CGEDMO C[C@H](C[N@H+]1CCC2SC(=O)C=C2C1)c1ccccc1 ZINC001207903665 813667064 /nfs/dbraw/zinc/66/70/64/813667064.db2.gz PPNVLAHCRKJWIN-DOMZBBRYSA-N 1 1 273.401 3.064 20 30 CGEDMO C=CCCCCCCCCC[N@H+]1CCCNC(=O)C1 ZINC001207898706 813667146 /nfs/dbraw/zinc/66/71/46/813667146.db2.gz CXFOUDHDVXPGGM-UHFFFAOYSA-N 1 1 266.429 3.115 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)C[C@H]1COC(C)(C)O1 ZINC001207928652 813673125 /nfs/dbraw/zinc/67/31/25/813673125.db2.gz ULHVUPAASGTAGR-INIZCTEOSA-N 1 1 275.392 3.216 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1c(F)cccc1F ZINC001208116568 813696833 /nfs/dbraw/zinc/69/68/33/813696833.db2.gz FEGJXDNEAHZLOH-XYYAHUGASA-N 1 1 276.330 3.274 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CCCO[C@H](C(=O)OC)C1 ZINC001208124120 813697817 /nfs/dbraw/zinc/69/78/17/813697817.db2.gz KPRMZIOOLYHJCJ-SCOAYWHSSA-N 1 1 297.439 3.167 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@](C)(O)[C@@H](C)C2)CC1 ZINC001208170908 813724410 /nfs/dbraw/zinc/72/44/10/813724410.db2.gz NYNNXLPLXPULQE-UAGQMJEPSA-N 1 1 263.425 3.382 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@@H](O)[C@H](C)C2)CC1 ZINC001208171793 813725122 /nfs/dbraw/zinc/72/51/22/813725122.db2.gz ZPYASUCOVKURHO-DJIMGWMZSA-N 1 1 263.425 3.382 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCc3c(ncnc3OC)C2)CC1 ZINC001208176979 813728304 /nfs/dbraw/zinc/72/83/04/813728304.db2.gz LVDGWINOYOMTFG-OAHLLOKOSA-N 1 1 299.418 3.146 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCc3c(ncnc3OC)C2)CC1 ZINC001208176979 813728307 /nfs/dbraw/zinc/72/83/07/813728307.db2.gz LVDGWINOYOMTFG-OAHLLOKOSA-N 1 1 299.418 3.146 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@H](Oc3cnccn3)C2)CC1 ZINC001208179418 813731006 /nfs/dbraw/zinc/73/10/06/813731006.db2.gz YYTNELLLSVVEDD-IAGOWNOFSA-N 1 1 299.418 3.232 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](CCCCCF)C[C@H]1C ZINC001208392672 813759794 /nfs/dbraw/zinc/75/97/94/813759794.db2.gz ASPNFHHBICYMQQ-OWCLPIDISA-N 1 1 298.446 3.165 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1C ZINC001208458588 813762271 /nfs/dbraw/zinc/76/22/71/813762271.db2.gz PMDNFLNLWKNCCS-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(CF)CC2)C1 ZINC001208567855 813767969 /nfs/dbraw/zinc/76/79/69/813767969.db2.gz YXSIFEHQBCKAHC-HUUCEWRRSA-N 1 1 298.446 3.143 20 30 CGEDMO C=CC[N@H+](C[C@@H]1CCCN(C)C1)C1CCCCC1 ZINC001208619597 813776471 /nfs/dbraw/zinc/77/64/71/813776471.db2.gz YHHBIPHBZHGZTD-OAHLLOKOSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](CC/C=C\CC)C2 ZINC001208729039 813818144 /nfs/dbraw/zinc/81/81/44/813818144.db2.gz ZIGCFDATEXVHAK-DJAVDHGHSA-N 1 1 279.424 3.169 20 30 CGEDMO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](CC/C=C\CC)C2 ZINC001208727886 813819152 /nfs/dbraw/zinc/81/91/52/813819152.db2.gz UKTAOPKUGKRZKZ-FDICQLOXSA-N 1 1 293.451 3.416 20 30 CGEDMO C[N@@H+](CCCc1cccc(C#N)c1)Cc1ccccn1 ZINC001208844505 813864285 /nfs/dbraw/zinc/86/42/85/813864285.db2.gz JTGXEJPHSKXQCP-UHFFFAOYSA-N 1 1 265.360 3.018 20 30 CGEDMO C[C@H]1c2cccn2CC[N@@H+]1CCCc1cccc(C#N)c1 ZINC001208851593 813866779 /nfs/dbraw/zinc/86/67/79/813866779.db2.gz ZUHFZYIPHOQTCJ-HNNXBMFYSA-N 1 1 279.387 3.369 20 30 CGEDMO N#Cc1ccc(CCC[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)cc1 ZINC001208855687 813869958 /nfs/dbraw/zinc/86/99/58/813869958.db2.gz FKOWKUCFDSJZSZ-CABCVRRESA-N 1 1 276.330 3.078 20 30 CGEDMO Cc1noc([C@@H]2CCC[N@H+]2CCCc2ccc(C#N)cc2)n1 ZINC001208862954 813871003 /nfs/dbraw/zinc/87/10/03/813871003.db2.gz UQJPDGFTDXGLFQ-INIZCTEOSA-N 1 1 296.374 3.019 20 30 CGEDMO CC[N@@H+](CCCc1ccc(C#N)cc1)CCN1CCCCC1 ZINC001208862641 813871576 /nfs/dbraw/zinc/87/15/76/813871576.db2.gz LZGRMUOBRAZXDI-UHFFFAOYSA-N 1 1 299.462 3.299 20 30 CGEDMO CCN(CCCc1ccc(C#N)cc1)CC[NH+]1CCCCC1 ZINC001208862641 813871585 /nfs/dbraw/zinc/87/15/85/813871585.db2.gz LZGRMUOBRAZXDI-UHFFFAOYSA-N 1 1 299.462 3.299 20 30 CGEDMO C[N@@H+](CCCc1ccc(C#N)cc1)C1CC(F)(F)C1 ZINC001208859589 813871604 /nfs/dbraw/zinc/87/16/04/813871604.db2.gz DFTGCTOYSSHDLH-UHFFFAOYSA-N 1 1 264.319 3.220 20 30 CGEDMO N#Cc1cccc(O[C@@H]2CCC[N@@H+](C[C@@H]3CCC=CO3)C2)c1 ZINC001208881479 813878327 /nfs/dbraw/zinc/87/83/27/813878327.db2.gz XDSJJFWHSSPDFH-ZWKOTPCHSA-N 1 1 298.386 3.094 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)cc1 ZINC001208925554 813902008 /nfs/dbraw/zinc/90/20/08/813902008.db2.gz HQQRDCRFWNGSMS-GASCZTMLSA-N 1 1 276.330 3.078 20 30 CGEDMO N#C[C@H]1CCCCN1C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208939741 813903201 /nfs/dbraw/zinc/90/32/01/813903201.db2.gz HTSUQYDYGRCRNX-RTBURBONSA-N 1 1 297.446 3.277 20 30 CGEDMO C[N@@H+](CCc1ccc(C#N)cc1)Cc1cccc(C#N)c1 ZINC001208928742 813904841 /nfs/dbraw/zinc/90/48/41/813904841.db2.gz HSYGKKMPINFLRF-UHFFFAOYSA-N 1 1 275.355 3.104 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](CCc2ccc(C(F)(F)F)cc2)C1 ZINC001209127044 813942786 /nfs/dbraw/zinc/94/27/86/813942786.db2.gz OTOHFTFOVFSMLZ-AWEZNQCLSA-N 1 1 282.309 3.483 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](CCc2ccc(C(F)(F)F)cc2)C1 ZINC001209127044 813942789 /nfs/dbraw/zinc/94/27/89/813942789.db2.gz OTOHFTFOVFSMLZ-AWEZNQCLSA-N 1 1 282.309 3.483 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@](C)(NC(=O)OC(C)(C)C)C1 ZINC001209156987 813950387 /nfs/dbraw/zinc/95/03/87/813950387.db2.gz MRDGOCOAQPEKIV-MRXNPFEDSA-N 1 1 282.428 3.332 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@]2(CCN2C(=O)OC(C)(C)C)C1 ZINC001209156572 813950435 /nfs/dbraw/zinc/95/04/35/813950435.db2.gz CZHHBPROBKFEQS-KRWDZBQOSA-N 1 1 294.439 3.428 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](c2noc(C(F)(F)F)n2)C1 ZINC001209160124 813951539 /nfs/dbraw/zinc/95/15/39/813951539.db2.gz HDBBMXQSAFRBAF-SNVBAGLBSA-N 1 1 289.301 3.234 20 30 CGEDMO C=CCCCC[N@@H+]1C[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC001209199875 813963242 /nfs/dbraw/zinc/96/32/42/813963242.db2.gz COPNMPNSJWUYLN-HUUCEWRRSA-N 1 1 294.439 3.284 20 30 CGEDMO C=CCCCC[N@H+](CCc1ccc(OC)cc1)C[C@H](C)O ZINC001209201879 813964406 /nfs/dbraw/zinc/96/44/06/813964406.db2.gz XQXWECGNDXRITR-INIZCTEOSA-N 1 1 291.435 3.277 20 30 CGEDMO C=CCCCC[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OCC ZINC001209207389 813967793 /nfs/dbraw/zinc/96/77/93/813967793.db2.gz WYNNLQLUVHVMHG-KKUMJFAQSA-N 1 1 265.397 3.006 20 30 CGEDMO C=CCCCC[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001209208027 813968841 /nfs/dbraw/zinc/96/88/41/813968841.db2.gz JNWGIXNYOHPROP-CALCHBBNSA-N 1 1 270.420 3.411 20 30 CGEDMO CCOC(=O)CCCCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001209351424 814003628 /nfs/dbraw/zinc/00/36/28/814003628.db2.gz YPCPNTQPTKPSCZ-PHZGNYQRSA-N 1 1 292.423 3.267 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](C(=O)OC)[C@H]1C ZINC001209428549 814029727 /nfs/dbraw/zinc/02/97/27/814029727.db2.gz KZSLFPBQSXUESJ-ZIAGYGMSSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](C[C@@H]1C[C@H]1C)[C@@H]2CC ZINC001209411109 814018226 /nfs/dbraw/zinc/01/82/26/814018226.db2.gz BDPYUNSKAWLKKR-HPFXQQBRSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCCCCC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@H]21 ZINC001209422844 814023848 /nfs/dbraw/zinc/02/38/48/814023848.db2.gz JINWUSQZBYVMCO-CABCVRRESA-N 1 1 294.439 3.426 20 30 CGEDMO C=CCCCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H]2C[C@H]21 ZINC001209422844 814023853 /nfs/dbraw/zinc/02/38/53/814023853.db2.gz JINWUSQZBYVMCO-CABCVRRESA-N 1 1 294.439 3.426 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@]2(CCN(CC=C)C2=O)C1 ZINC001209422905 814026519 /nfs/dbraw/zinc/02/65/19/814026519.db2.gz KCVKJDSDEMGKKA-SFHVURJKSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC001209427344 814028147 /nfs/dbraw/zinc/02/81/47/814028147.db2.gz OJAQTSIUZYISHD-KRWDZBQOSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](C(=O)OC)CC1 ZINC001209430663 814031174 /nfs/dbraw/zinc/03/11/74/814031174.db2.gz AIICJHWESWUOOJ-AWEZNQCLSA-N 1 1 253.386 3.008 20 30 CGEDMO C=CCCCCCC[N@@H+]1CC[C@@H]2C[C@@]21C(=O)OCC ZINC001209436227 814037667 /nfs/dbraw/zinc/03/76/67/814037667.db2.gz SGBOBXDRRNUXIF-ZBFHGGJFSA-N 1 1 265.397 3.150 20 30 CGEDMO C=CCCCCCCC[N@H+](CC)CCC(=O)OC ZINC001209441250 814040955 /nfs/dbraw/zinc/04/09/55/814040955.db2.gz GDJVZFIVJZPIEY-UHFFFAOYSA-N 1 1 255.402 3.398 20 30 CGEDMO C=CCCCCCCC[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC001209442801 814042457 /nfs/dbraw/zinc/04/24/57/814042457.db2.gz WRCXMMDNHJZXFT-MRXNPFEDSA-N 1 1 276.428 3.442 20 30 CGEDMO C=CCCCCCCC[N@H+]1CCC(=O)N2CCC[C@@H]2C1 ZINC001209442889 814043104 /nfs/dbraw/zinc/04/31/04/814043104.db2.gz ZFQMRFLXRYGDLS-MRXNPFEDSA-N 1 1 278.440 3.210 20 30 CGEDMO CN(C)c1ccccc1C[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001209773275 814136157 /nfs/dbraw/zinc/13/61/57/814136157.db2.gz QVVVXHNURWLQAP-UHFFFAOYSA-N 1 1 291.398 3.183 20 30 CGEDMO C[N@H+]1CCc2c(F)cc(-c3ccccc3C#N)cc2C1 ZINC001242717312 823111053 /nfs/dbraw/zinc/11/10/53/823111053.db2.gz QFHRBZXWEKVBOK-UHFFFAOYSA-N 1 1 266.319 3.352 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)CC(C)C)C1 ZINC001210214457 814345641 /nfs/dbraw/zinc/34/56/41/814345641.db2.gz ZXZDISLPVLQZLN-GVDBMIGSSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001210307627 814395110 /nfs/dbraw/zinc/39/51/10/814395110.db2.gz QDWKOIGMCBXNHO-RBSFLKMASA-N 1 1 280.456 3.071 20 30 CGEDMO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCCCCCC)C1 ZINC001210547583 814518749 /nfs/dbraw/zinc/51/87/49/814518749.db2.gz PHBPKLRHSWROIG-IAGOWNOFSA-N 1 1 292.467 3.197 20 30 CGEDMO COCC[N@@H+](C)Cc1ccnc(-c2ccc(C#N)c(C)c2)c1 ZINC001242766705 823126370 /nfs/dbraw/zinc/12/63/70/823126370.db2.gz LORZBTWCYGRRHW-UHFFFAOYSA-N 1 1 295.386 3.007 20 30 CGEDMO Cc1ccc(Nc2cccc3[nH+]cn(C)c32)cc1C#N ZINC001216077122 815683132 /nfs/dbraw/zinc/68/31/32/815683132.db2.gz YTVRGRWTLWOBLK-UHFFFAOYSA-N 1 1 262.316 3.497 20 30 CGEDMO CCOc1cc(C)c(C)cc1[NH+]=C(NO)c1ccccc1N ZINC001216377933 815805128 /nfs/dbraw/zinc/80/51/28/815805128.db2.gz AZZUGUSVGHCEQF-UHFFFAOYSA-N 1 1 299.374 3.341 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nnc([C@@H]2C[C@@H]2c2ccc(C)cc2)o1 ZINC001217757613 815954968 /nfs/dbraw/zinc/95/49/68/815954968.db2.gz PLPHGSFRQQXHSQ-OAGGEKHMSA-N 1 1 295.386 3.452 20 30 CGEDMO CCCCCCCCCCO[C@H]1CC[NH2+]CC(=O)C1 ZINC001217829216 815971579 /nfs/dbraw/zinc/97/15/79/815971579.db2.gz XNCNESIHNHXJPT-INIZCTEOSA-N 1 1 269.429 3.465 20 30 CGEDMO CCCCCCCC[C@@H](CC)OCC[C@H]([NH3+])C(=O)OC ZINC001217896084 815994901 /nfs/dbraw/zinc/99/49/01/815994901.db2.gz HQBXSEPYQKXOMU-CABCVRRESA-N 1 1 287.444 3.423 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2nc(CC)nc3c2C[NH2+]C3)C1 ZINC001218215726 816130484 /nfs/dbraw/zinc/13/04/84/816130484.db2.gz ADNJREFBUMZPDQ-CJNGLKHVSA-N 1 1 299.418 3.322 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)CCCC)[C@@H]2C1 ZINC001221302176 816310043 /nfs/dbraw/zinc/31/00/43/816310043.db2.gz JAVKZAWJORQUSM-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO CCCCCCCNC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC001221437567 816313839 /nfs/dbraw/zinc/31/38/39/816313839.db2.gz XOGLNLIESXYRJP-HOTGVXAUSA-N 1 1 297.487 3.376 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)CCC)[C@@H]2C1 ZINC001221432625 816313869 /nfs/dbraw/zinc/31/38/69/816313869.db2.gz YAGDIDJSNVCTBB-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO CCCCCCCNC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC001221437569 816314507 /nfs/dbraw/zinc/31/45/07/816314507.db2.gz XOGLNLIESXYRJP-JKSUJKDBSA-N 1 1 297.487 3.376 20 30 CGEDMO C=CCC(C)(C)C(=O)N1C[C@H]2CC[N@H+](CCCCC)C[C@H]21 ZINC001221838280 816329697 /nfs/dbraw/zinc/32/96/97/816329697.db2.gz ZYQDGOSJECPOTO-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)CC(C)C)[C@@H]2C1 ZINC001221899548 816333677 /nfs/dbraw/zinc/33/36/77/816333677.db2.gz SXFREAYOCQANRT-GVDBMIGSSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)CC(C)C)[C@@H]2C1 ZINC001221930489 816335425 /nfs/dbraw/zinc/33/54/25/816335425.db2.gz MABKMGNHUQLFSJ-HZPDHXFCSA-N 1 1 292.467 3.168 20 30 CGEDMO CCCCCCCCC(=O)N1C[C@H]2CC[N@@H+](CC)C[C@H]21 ZINC001221974845 816338313 /nfs/dbraw/zinc/33/83/13/816338313.db2.gz GPABZKAUEUJGDF-HZPDHXFCSA-N 1 1 280.456 3.290 20 30 CGEDMO C=CC(C)(C)CCNC(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC001222114737 816350609 /nfs/dbraw/zinc/35/06/09/816350609.db2.gz IKJFVEDXDASWJX-HNNXBMFYSA-N 1 1 295.471 3.152 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)CC)C[C@@H]21 ZINC001222164677 816368250 /nfs/dbraw/zinc/36/82/50/816368250.db2.gz BKYCQIMZJKHNFA-CVEARBPZSA-N 1 1 280.456 3.290 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@H]2CC[N@H+](CC(C)C)[C@H]2C1 ZINC001222763186 816513827 /nfs/dbraw/zinc/51/38/27/816513827.db2.gz MTRLOSASFLOLDI-CVEARBPZSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC(C)(C)CC)C[C@@H]21 ZINC001222767889 816515044 /nfs/dbraw/zinc/51/50/44/816515044.db2.gz QDZZQCZJXUGXDM-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO CC[N@H+]1CCC[C@H](OCc2ccc(C(C)(C)C#N)cc2)C1 ZINC001223156597 816579085 /nfs/dbraw/zinc/57/90/85/816579085.db2.gz DTSSBOXHTVDUCE-KRWDZBQOSA-N 1 1 286.419 3.489 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC[C@H]2CC[N@H+](CCCC)[C@H]2C1 ZINC001223338302 816608188 /nfs/dbraw/zinc/60/81/88/816608188.db2.gz LMRKCLPSKKPICT-BBWFWOEESA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)CCC)C[C@@H]21 ZINC001223406372 816624105 /nfs/dbraw/zinc/62/41/05/816624105.db2.gz WBHNBCOYUQYSCY-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NCC1CC[NH+](CC(=C)Cl)CC1 ZINC001224187645 816750970 /nfs/dbraw/zinc/75/09/70/816750970.db2.gz WQIGICJPEXHMCR-ZDUSSCGKSA-N 1 1 298.858 3.169 20 30 CGEDMO C=C[C@H](CCC)OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001224960704 816919290 /nfs/dbraw/zinc/91/92/90/816919290.db2.gz FZMPMCUBNPQGSR-QZTJIDSGSA-N 1 1 289.419 3.259 20 30 CGEDMO C=C[C@H](CCC)OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001224960704 816919295 /nfs/dbraw/zinc/91/92/95/816919295.db2.gz FZMPMCUBNPQGSR-QZTJIDSGSA-N 1 1 289.419 3.259 20 30 CGEDMO C[C@H](c1ccccn1)[N@H+]1CC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001225224690 816969326 /nfs/dbraw/zinc/96/93/26/816969326.db2.gz BLNWRBUTGZXSIM-RHSMWYFYSA-N 1 1 293.370 3.168 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2cncn2C)cc1 ZINC001243072666 823235804 /nfs/dbraw/zinc/23/58/04/823235804.db2.gz UMNZVMJGOSHHPP-INIZCTEOSA-N 1 1 267.376 3.410 20 30 CGEDMO Cc1c(C)c(O[C@@H]2CC[N@H+](C(C)C)C2)ccc1C#N ZINC001225513532 817080184 /nfs/dbraw/zinc/08/01/84/817080184.db2.gz PRXJUHKZFNEJAK-OAHLLOKOSA-N 1 1 258.365 3.037 20 30 CGEDMO CC[N@@H+]1CC[C@@H](Oc2c(Cl)cc(C#N)cc2Cl)C1 ZINC001226585463 817405889 /nfs/dbraw/zinc/40/58/89/817405889.db2.gz OGCULZLPBQJWKU-SNVBAGLBSA-N 1 1 285.174 3.338 20 30 CGEDMO CC[N@H+]1CC[C@@H](Oc2c(Cl)cc(C#N)cc2Cl)C1 ZINC001226585463 817405895 /nfs/dbraw/zinc/40/58/95/817405895.db2.gz OGCULZLPBQJWKU-SNVBAGLBSA-N 1 1 285.174 3.338 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](Oc2ccc(C#N)cc2C(F)(F)F)C1 ZINC001227162785 817577674 /nfs/dbraw/zinc/57/76/74/817577674.db2.gz XFSXERAHORAATI-LBPRGKRZSA-N 1 1 298.308 3.439 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)CC(C)(C)CC)CC1 ZINC001227527550 817665617 /nfs/dbraw/zinc/66/56/17/817665617.db2.gz MWVHUBIYDJTZQA-UHFFFAOYSA-N 1 1 286.847 3.146 20 30 CGEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cc(Cl)ccc1C#N)C2 ZINC001228083821 817805406 /nfs/dbraw/zinc/80/54/06/817805406.db2.gz DUVUJOACIRREFG-BTTYYORXSA-N 1 1 276.767 3.216 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)/C=C\C(C)(C)C ZINC001231253585 818064143 /nfs/dbraw/zinc/06/41/43/818064143.db2.gz AHPYDASNTDFFEE-KLQCNHIUSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC1=CCCCC1 ZINC001231261849 818067435 /nfs/dbraw/zinc/06/74/35/818067435.db2.gz BLQGVIONECUYQJ-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)/C=C\C(C)(C)C ZINC001231285273 818068595 /nfs/dbraw/zinc/06/85/95/818068595.db2.gz ZWNOGXAQTSHYPR-WQHRRFGKSA-N 1 1 292.467 3.476 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)C1CC=CC1 ZINC001231376986 818087107 /nfs/dbraw/zinc/08/71/07/818087107.db2.gz HLJRAJMMRPXWMS-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO N#CCC[N@@H+](Cc1c[nH]c2cnccc12)C1CCCC1 ZINC001231518158 818119680 /nfs/dbraw/zinc/11/96/80/818119680.db2.gz AYNXMZKWPDQUKJ-UHFFFAOYSA-N 1 1 268.364 3.221 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@](C)(CF)C2)c1 ZINC001231620950 818137652 /nfs/dbraw/zinc/13/76/52/818137652.db2.gz JHMJUPGMYGTNGN-MRXNPFEDSA-N 1 1 263.356 3.433 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC(C)(C)C[C@]2(C)CO)c1 ZINC001231620771 818138867 /nfs/dbraw/zinc/13/88/67/818138867.db2.gz BJJVKPPSVDYHAK-GOSISDBHSA-N 1 1 289.419 3.234 20 30 CGEDMO C=CCOc1cccc(CN2CC[C@@H]([N@H+](C)C(C)C)C2)c1 ZINC001231624536 818141030 /nfs/dbraw/zinc/14/10/30/818141030.db2.gz ORPBZSIVUMATNP-QGZVFWFLSA-N 1 1 288.435 3.166 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCc3ccncc3C2)c1 ZINC001231624951 818141071 /nfs/dbraw/zinc/14/10/71/818141071.db2.gz IEEVJVRTEITRON-UHFFFAOYSA-N 1 1 280.371 3.205 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCc3ccncc3C2)c1 ZINC001231624951 818141073 /nfs/dbraw/zinc/14/10/73/818141073.db2.gz IEEVJVRTEITRON-UHFFFAOYSA-N 1 1 280.371 3.205 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@H+]2CCCC[C@@H](F)C2)cc1 ZINC001231815804 818184383 /nfs/dbraw/zinc/18/43/83/818184383.db2.gz BJJALLNVSQMWSB-MRXNPFEDSA-N 1 1 289.398 3.360 20 30 CGEDMO C[C@H]1C[N@H+](Cc2cc(C#N)ccn2)Cc2ccccc21 ZINC001232475939 818364189 /nfs/dbraw/zinc/36/41/89/818364189.db2.gz UXRNEVXIAUGMCG-ZDUSSCGKSA-N 1 1 263.344 3.073 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cc(C#N)ccn2)Cc2ccccc21 ZINC001232475939 818364196 /nfs/dbraw/zinc/36/41/96/818364196.db2.gz UXRNEVXIAUGMCG-ZDUSSCGKSA-N 1 1 263.344 3.073 20 30 CGEDMO C[C@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)CC[C@]1(C)O ZINC001232604775 818395067 /nfs/dbraw/zinc/39/50/67/818395067.db2.gz IJVLTZMWWNYQNT-LRDDRELGSA-N 1 1 292.810 3.195 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)CC[C@]1(C)O ZINC001232604775 818395071 /nfs/dbraw/zinc/39/50/71/818395071.db2.gz IJVLTZMWWNYQNT-LRDDRELGSA-N 1 1 292.810 3.195 20 30 CGEDMO C[N@@H+](CC/C=C/c1cccnc1)Cc1cc(C#N)ccc1[O-] ZINC001232677955 818417803 /nfs/dbraw/zinc/41/78/03/818417803.db2.gz MHTZJZBQZMAEFP-GORDUTHDSA-N 1 1 293.370 3.194 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccc(C(C)(C)O)nc1 ZINC001232828679 818450571 /nfs/dbraw/zinc/45/05/71/818450571.db2.gz UCCOBUTZXFXUNI-UHFFFAOYSA-N 1 1 262.397 3.097 20 30 CGEDMO C#CC1CC[NH+](Cc2ccc(F)c(F)c2Cl)CC1 ZINC001232877261 818460822 /nfs/dbraw/zinc/46/08/22/818460822.db2.gz FQRJONJCTTWTFI-UHFFFAOYSA-N 1 1 269.722 3.463 20 30 CGEDMO N#Cc1ccc(F)cc1C[NH+]1CCC2(CCCOC2)CC1 ZINC001232894493 818466796 /nfs/dbraw/zinc/46/67/96/818466796.db2.gz WSDNOKZJMREDNL-UHFFFAOYSA-N 1 1 288.366 3.090 20 30 CGEDMO C[N@H+](Cc1cccc(Cl)c1)Cc1cccc(C#N)n1 ZINC001232925076 818473500 /nfs/dbraw/zinc/47/35/00/818473500.db2.gz LBZPJQGKIWKOHJ-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO C[N@@H+](Cc1cccc(Cl)c1)Cc1cccc(C#N)n1 ZINC001232925076 818473504 /nfs/dbraw/zinc/47/35/04/818473504.db2.gz LBZPJQGKIWKOHJ-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO Cc1ccc(C[NH+]2CCC(c3ncccn3)CC2)c(C#N)c1 ZINC001232966482 818485980 /nfs/dbraw/zinc/48/59/80/818485980.db2.gz NLXONBUTDMFPQQ-UHFFFAOYSA-N 1 1 292.386 3.036 20 30 CGEDMO C[N@H+](Cc1[nH]ccc1C#N)[C@@H]1CCc2ccccc21 ZINC001233049450 818511380 /nfs/dbraw/zinc/51/13/80/818511380.db2.gz PBANXIBYBDYQFX-MRXNPFEDSA-N 1 1 251.333 3.006 20 30 CGEDMO C[N@@H+](Cc1[nH]ccc1C#N)[C@@H]1CCc2ccccc21 ZINC001233049450 818511384 /nfs/dbraw/zinc/51/13/84/818511384.db2.gz PBANXIBYBDYQFX-MRXNPFEDSA-N 1 1 251.333 3.006 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001233079878 818518684 /nfs/dbraw/zinc/51/86/84/818518684.db2.gz PWSHRQRJRFNEGD-DOTOQJQBSA-N 1 1 254.377 3.489 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1cc2cccnc2s1 ZINC001233348225 818592263 /nfs/dbraw/zinc/59/22/63/818592263.db2.gz SLAXZNOKYNLNNH-UHFFFAOYSA-N 1 1 259.378 3.422 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1cc2cccnc2s1 ZINC001233348225 818592266 /nfs/dbraw/zinc/59/22/66/818592266.db2.gz SLAXZNOKYNLNNH-UHFFFAOYSA-N 1 1 259.378 3.422 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3)C2)c(O)c1 ZINC001233383284 818605027 /nfs/dbraw/zinc/60/50/27/818605027.db2.gz COWLXSIZMVFXFF-MRXNPFEDSA-N 1 1 278.355 3.253 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3ccccc3)C2)c(O)c1 ZINC001233383284 818605031 /nfs/dbraw/zinc/60/50/31/818605031.db2.gz COWLXSIZMVFXFF-MRXNPFEDSA-N 1 1 278.355 3.253 20 30 CGEDMO CC[N@H+](Cc1ccc(F)cc1)Cc1ccc(C#N)cc1O ZINC001233386652 818606575 /nfs/dbraw/zinc/60/65/75/818606575.db2.gz CDDOQIDZJCPVKJ-UHFFFAOYSA-N 1 1 284.334 3.425 20 30 CGEDMO CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(C#N)cc1O ZINC001233386652 818606580 /nfs/dbraw/zinc/60/65/80/818606580.db2.gz CDDOQIDZJCPVKJ-UHFFFAOYSA-N 1 1 284.334 3.425 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233455016 818623641 /nfs/dbraw/zinc/62/36/41/818623641.db2.gz SGTLUEKOMNITQO-SNVBAGLBSA-N 1 1 284.281 3.147 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233455016 818623644 /nfs/dbraw/zinc/62/36/44/818623644.db2.gz SGTLUEKOMNITQO-SNVBAGLBSA-N 1 1 284.281 3.147 20 30 CGEDMO C[N@H+]1CCC[C@H](Oc2cc(C#N)cc(C(F)(F)F)c2)C1 ZINC001233658065 818672458 /nfs/dbraw/zinc/67/24/58/818672458.db2.gz HNMYFCFVMPZOBI-LBPRGKRZSA-N 1 1 284.281 3.050 20 30 CGEDMO CC[N@H+]1CCC[C@H](Oc2cc(C(F)(F)F)ccc2C#N)C1 ZINC001233732352 818692925 /nfs/dbraw/zinc/69/29/25/818692925.db2.gz LTWGCEGLUYYZTQ-ZDUSSCGKSA-N 1 1 298.308 3.440 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)C[C@H]1C=CCC1 ZINC001233760506 818699337 /nfs/dbraw/zinc/69/93/37/818699337.db2.gz ZQDJQNUKSUHAIO-HOTGVXAUSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)C[C@H]1C=CCC1 ZINC001233760504 818699503 /nfs/dbraw/zinc/69/95/03/818699503.db2.gz ZQDJQNUKSUHAIO-CVEARBPZSA-N 1 1 278.440 3.136 20 30 CGEDMO N#C[C@@H](Oc1ccc2[nH+]ccn2c1)c1ccccc1F ZINC001233755641 818699662 /nfs/dbraw/zinc/69/96/62/818699662.db2.gz RXKZLPOXAUXPIQ-CQSZACIVSA-N 1 1 267.263 3.117 20 30 CGEDMO CCCCCCC[N@@H+](C)CCCNC(=O)c1cccn1C ZINC001234061880 818770700 /nfs/dbraw/zinc/77/07/00/818770700.db2.gz RUKLDVHBRNYEJH-UHFFFAOYSA-N 1 1 293.455 3.047 20 30 CGEDMO CCCCCCC[N@@H+](C)CCCNC(=O)[C@@H](C)CC ZINC001234136532 818789205 /nfs/dbraw/zinc/78/92/05/818789205.db2.gz GVJPYZGOUCQIJU-HNNXBMFYSA-N 1 1 270.461 3.441 20 30 CGEDMO CCC(CC)C[N@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234214963 818802323 /nfs/dbraw/zinc/80/23/23/818802323.db2.gz GIKNIGSRNHPCML-MRXNPFEDSA-N 1 1 292.467 3.005 20 30 CGEDMO CC#CC[C@H](CC)Oc1cccc2c1CC[N@@H+](C)C2 ZINC001234422650 818852550 /nfs/dbraw/zinc/85/25/50/818852550.db2.gz ITFLBJKNLIXGFP-HNNXBMFYSA-N 1 1 257.377 3.245 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@]1(C)CC=CCC1 ZINC001234525355 818873040 /nfs/dbraw/zinc/87/30/40/818873040.db2.gz BGPHUZOXXJPMSL-FUHWJXTLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC(=O)NCCC[N@H+](C)[C@H](C)c1ccccc1 ZINC001235463699 819105723 /nfs/dbraw/zinc/10/57/23/819105723.db2.gz AWKMTDFNTJRFIU-OAHLLOKOSA-N 1 1 274.408 3.152 20 30 CGEDMO N#CCc1ccccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001235514948 819112865 /nfs/dbraw/zinc/11/28/65/819112865.db2.gz MSYZYNUNLRLKJX-GASCZTMLSA-N 1 1 276.330 3.230 20 30 CGEDMO N#CCc1ccccc1C[N@@H+]1CCC[C@@H](C(F)F)C1 ZINC001235522656 819114693 /nfs/dbraw/zinc/11/46/93/819114693.db2.gz HYHSJVUFDZVONE-CQSZACIVSA-N 1 1 264.319 3.230 20 30 CGEDMO Cc1ccnc(C[NH+]2CCC(CC#N)CC2)c1Cl ZINC001235578434 819122276 /nfs/dbraw/zinc/12/22/76/819122276.db2.gz BGTJNMNCVKJKIT-UHFFFAOYSA-N 1 1 263.772 3.169 20 30 CGEDMO CCOCC1CC[NH+](Cc2c(F)cc(C#N)cc2F)CC1 ZINC001235665224 819131700 /nfs/dbraw/zinc/13/17/00/819131700.db2.gz SYBQTSMDAZBBNB-UHFFFAOYSA-N 1 1 294.345 3.085 20 30 CGEDMO Cc1ccc(CN2CCC(C3CC[NH2+]CC3)CC2)c(C#N)c1 ZINC001235705407 819147208 /nfs/dbraw/zinc/14/72/08/819147208.db2.gz HLERHWDTAWPBIJ-UHFFFAOYSA-N 1 1 297.446 3.078 20 30 CGEDMO Cc1nc(C)c(C[NH+]2CCC(C#N)(c3ccccc3)CC2)o1 ZINC001236589301 819547316 /nfs/dbraw/zinc/54/73/16/819547316.db2.gz KHFWOTDYOGHGGY-UHFFFAOYSA-N 1 1 295.386 3.349 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cccc(C(=O)OCC)n1 ZINC001236649898 819561596 /nfs/dbraw/zinc/56/15/96/819561596.db2.gz OPYJBBXITBODIJ-UHFFFAOYSA-N 1 1 276.380 3.046 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(OCC)c(Br)c1 ZINC001236668476 819567476 /nfs/dbraw/zinc/56/74/76/819567476.db2.gz YJRPJMIVMDVMOZ-UHFFFAOYSA-N 1 1 284.197 3.466 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC=C(c3ccccc3)CC2)ccn1 ZINC001237462214 819756850 /nfs/dbraw/zinc/75/68/50/819756850.db2.gz FWMAMDPDIZXBRY-UHFFFAOYSA-N 1 1 275.355 3.243 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CC=C(c3ccccc3)CC2)ccn1 ZINC001237462214 819756852 /nfs/dbraw/zinc/75/68/52/819756852.db2.gz FWMAMDPDIZXBRY-UHFFFAOYSA-N 1 1 275.355 3.243 20 30 CGEDMO C[C@@H]1CCC[N@H+]1Cc1cn(C)c2ccc(C#N)cc12 ZINC001237467056 819757960 /nfs/dbraw/zinc/75/79/60/819757960.db2.gz RHGRPPIAAOZSCL-GFCCVEGCSA-N 1 1 253.349 3.034 20 30 CGEDMO COc1c(C)cccc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001237512712 819767370 /nfs/dbraw/zinc/76/73/70/819767370.db2.gz GVJJLSDBCNLENO-CQSZACIVSA-N 1 1 258.365 3.129 20 30 CGEDMO C[C@]1(CF)CC[N@H+](Cc2cc(C#N)c(F)cc2F)C1 ZINC001237523564 819770418 /nfs/dbraw/zinc/77/04/18/819770418.db2.gz AZYJAEJZXMRORP-CQSZACIVSA-N 1 1 268.282 3.018 20 30 CGEDMO C[C@]1(CF)CC[N@@H+](Cc2cc(C#N)c(F)cc2F)C1 ZINC001237523564 819770421 /nfs/dbraw/zinc/77/04/21/819770421.db2.gz AZYJAEJZXMRORP-CQSZACIVSA-N 1 1 268.282 3.018 20 30 CGEDMO C[N@H+](Cc1cc(Cl)cc(C#N)c1)Cc1ccccn1 ZINC001237747676 819835290 /nfs/dbraw/zinc/83/52/90/819835290.db2.gz ZRTQAWNLHJSROJ-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO C[N@@H+](Cc1cc(Cl)cc(C#N)c1)Cc1ccccn1 ZINC001237747676 819835297 /nfs/dbraw/zinc/83/52/97/819835297.db2.gz ZRTQAWNLHJSROJ-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2cccc(-c3ccccn3)n2)CC1 ZINC001237833226 819857039 /nfs/dbraw/zinc/85/70/39/819857039.db2.gz KYSCFMYDRYWWPH-HNNXBMFYSA-N 1 1 292.386 3.269 20 30 CGEDMO C=CC[NH+]1CCN(Cc2cc(C)cc(SC)c2)CC1 ZINC001238680813 820079874 /nfs/dbraw/zinc/07/98/74/820079874.db2.gz CJQGFKCLIVBICF-UHFFFAOYSA-N 1 1 276.449 3.021 20 30 CGEDMO C=CCN1CC[NH+](Cc2cc(C)cc(SC)c2)CC1 ZINC001238680813 820079884 /nfs/dbraw/zinc/07/98/84/820079884.db2.gz CJQGFKCLIVBICF-UHFFFAOYSA-N 1 1 276.449 3.021 20 30 CGEDMO CCc1cc(C[N@@H+]2CCc3c(O)cccc3C2)ccc1C#N ZINC001238765602 820111807 /nfs/dbraw/zinc/11/18/07/820111807.db2.gz FSILFOQZVVJHNQ-UHFFFAOYSA-N 1 1 292.382 3.385 20 30 CGEDMO CCc1cc(C[N@H+]2CCc3c(O)cccc3C2)ccc1C#N ZINC001238765602 820111812 /nfs/dbraw/zinc/11/18/12/820111812.db2.gz FSILFOQZVVJHNQ-UHFFFAOYSA-N 1 1 292.382 3.385 20 30 CGEDMO N#Cc1ncc(-c2cccc(C3=[NH+]CCC3)c2)cc1F ZINC001238993639 820186915 /nfs/dbraw/zinc/18/69/15/820186915.db2.gz XRCSZPCXUNQLAA-UHFFFAOYSA-N 1 1 265.291 3.342 20 30 CGEDMO Cc1cc(-c2ccc(OCC#N)cc2)cn2cc[nH+]c12 ZINC001243592151 823460023 /nfs/dbraw/zinc/46/00/23/823460023.db2.gz JILDEVFUTXKKPS-UHFFFAOYSA-N 1 1 263.300 3.212 20 30 CGEDMO [NH3+]Cc1cncc(-c2cc(/C=N/O)cc(C(F)(F)F)c2)c1 ZINC001239803861 820617737 /nfs/dbraw/zinc/61/77/37/820617737.db2.gz JIXZXTUFXZMAIA-IFRROFPPSA-N 1 1 295.264 3.034 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cncnc2)cc1 ZINC001240378304 821002835 /nfs/dbraw/zinc/00/28/35/821002835.db2.gz DSYHARHFGREITG-QGZVFWFLSA-N 1 1 265.360 3.467 20 30 CGEDMO C[N@@H+]1CC=C(c2ccccc2C2(C#N)CCC2)CC1 ZINC001241332497 821739095 /nfs/dbraw/zinc/73/90/95/821739095.db2.gz JKYSDHOPXYNPLS-UHFFFAOYSA-N 1 1 252.361 3.351 20 30 CGEDMO COc1cc(C#N)ccc1-c1cc(N2CCCC2)cc[nH+]1 ZINC001241393319 821791623 /nfs/dbraw/zinc/79/16/23/821791623.db2.gz GUHYCVALXMAOSC-UHFFFAOYSA-N 1 1 279.343 3.229 20 30 CGEDMO COc1cc(C#N)ccc1-c1cc(F)c2c(c1)C[N@H+](C)CC2 ZINC001241412924 821807990 /nfs/dbraw/zinc/80/79/90/821807990.db2.gz ZAOYYXBXONNARY-UHFFFAOYSA-N 1 1 296.345 3.361 20 30 CGEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccc(C#N)nc2)nc1 ZINC001241420862 821818263 /nfs/dbraw/zinc/81/82/63/821818263.db2.gz BHVPDOMEKJLRDW-AWEZNQCLSA-N 1 1 292.386 3.390 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2ncc[nH]2)cc1 ZINC001242020533 822283798 /nfs/dbraw/zinc/28/37/98/822283798.db2.gz ZEBOCIAPVNSKGY-HNNXBMFYSA-N 1 1 253.349 3.400 20 30 CGEDMO Cc1cc(N)[nH+]cc1-c1cccc2sc(C#N)nc21 ZINC001242096196 822351614 /nfs/dbraw/zinc/35/16/14/822351614.db2.gz ZMVMFAIWRRXLHL-UHFFFAOYSA-N 1 1 266.329 3.121 20 30 CGEDMO C=C(C)CCC(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001339046353 936346607 /nfs/dbraw/zinc/34/66/07/936346607.db2.gz XVDIRNUHPXZXFO-MRXNPFEDSA-N 1 1 286.419 3.076 20 30 CGEDMO C=C(C)CCC(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001339046353 936346612 /nfs/dbraw/zinc/34/66/12/936346612.db2.gz XVDIRNUHPXZXFO-MRXNPFEDSA-N 1 1 286.419 3.076 20 30 CGEDMO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](CC)C1 ZINC001330314855 935284972 /nfs/dbraw/zinc/28/49/72/935284972.db2.gz FVFVIVVBJAQKDF-GVDBMIGSSA-N 1 1 264.457 3.443 20 30 CGEDMO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCN(CC)C1 ZINC001330314855 935284974 /nfs/dbraw/zinc/28/49/74/935284974.db2.gz FVFVIVVBJAQKDF-GVDBMIGSSA-N 1 1 264.457 3.443 20 30 CGEDMO CS[C@H]1CC[C@H]([N@@H+](C)Cc2csc(C#N)c2)C1 ZINC001335421068 936144851 /nfs/dbraw/zinc/14/48/51/936144851.db2.gz KVCAFQZDAKTKTE-RYUDHWBXSA-N 1 1 266.435 3.336 20 30 CGEDMO N#CC1(CC(=O)O[C@H]2CC[N@H+]3CCC[C@H]3C2)CCCCC1 ZINC001343478070 936503443 /nfs/dbraw/zinc/50/34/43/936503443.db2.gz NEDHOCVKLKGIJM-GJZGRUSLSA-N 1 1 290.407 3.021 20 30 CGEDMO CO[C@H]1CCC[N@@H+](Cc2c(C)cc(C#N)cc2C)CC1 ZINC001351272195 937013105 /nfs/dbraw/zinc/01/31/05/937013105.db2.gz GOIBLFWBBXPETP-INIZCTEOSA-N 1 1 272.392 3.176 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(-c3cnn(C)c3)cc2)C1 ZINC001351626855 937020915 /nfs/dbraw/zinc/02/09/15/937020915.db2.gz CCDCYMPEHIUQLA-OAHLLOKOSA-N 1 1 281.403 3.485 20 30 CGEDMO CC(C)c1ocnc1C[N@H+](C)CCc1cccc(C#N)c1 ZINC001352925493 937053446 /nfs/dbraw/zinc/05/34/46/937053446.db2.gz MUFMIVXJCFXQNL-UHFFFAOYSA-N 1 1 283.375 3.344 20 30 CGEDMO CC(C)c1ocnc1C[N@@H+](C)CCc1cccc(C#N)c1 ZINC001352925493 937053449 /nfs/dbraw/zinc/05/34/49/937053449.db2.gz MUFMIVXJCFXQNL-UHFFFAOYSA-N 1 1 283.375 3.344 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)[C@H](C)[C@H](C)C(C)(C)C)C1CC1 ZINC001493427799 926710560 /nfs/dbraw/zinc/71/05/60/926710560.db2.gz UAVSYDDCWSTTPP-CABCVRRESA-N 1 1 294.483 3.461 20 30 CGEDMO CCOC(=O)[C@@H](CC)[N@@H+](CC1CCC(C#N)CC1)C1CC1 ZINC001354687792 937110175 /nfs/dbraw/zinc/11/01/75/937110175.db2.gz HVQCMVKBFMWJRD-ZBCRRDGASA-N 1 1 292.423 3.122 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)C1(C)C(C)(C)C1(C)C ZINC001480955295 926837952 /nfs/dbraw/zinc/83/79/52/926837952.db2.gz FFPHZHMHZXQSRX-AWEZNQCLSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001481113252 926888069 /nfs/dbraw/zinc/88/80/69/926888069.db2.gz RKZFURJPOSRZES-HNNXBMFYSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)CC[N@@H+](CCNC(=O)[C@@H]1CCC(C)(C)C1)C1CC1 ZINC001481185387 926902666 /nfs/dbraw/zinc/90/26/66/926902666.db2.gz AWDDRLIZCAUVPA-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001481488528 927001854 /nfs/dbraw/zinc/00/18/54/927001854.db2.gz UBSMQTHUXMXQGZ-QGZVFWFLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)C)C1 ZINC001481502798 927006281 /nfs/dbraw/zinc/00/62/81/927006281.db2.gz CYRCQQDNOFSGOG-HUUCEWRRSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC001481535145 927020704 /nfs/dbraw/zinc/02/07/04/927020704.db2.gz LFYOMIGXGITSLC-HNNXBMFYSA-N 1 1 292.448 3.185 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@](C)(F)CCCC)C1 ZINC001481535623 927020820 /nfs/dbraw/zinc/02/08/20/927020820.db2.gz FBGSOWRHMGQLFE-RDJZCZTQSA-N 1 1 298.446 3.452 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1CC[N@H+](CC(CC)CC)C1 ZINC001481693006 927061161 /nfs/dbraw/zinc/06/11/61/927061161.db2.gz QWBBVWNHCRZXEC-RDJZCZTQSA-N 1 1 280.456 3.215 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](N(C)C(=O)C2CCC2)C1 ZINC001481711626 927071215 /nfs/dbraw/zinc/07/12/15/927071215.db2.gz MPHHVRXPXGQDRW-MRXNPFEDSA-N 1 1 280.456 3.290 20 30 CGEDMO C=CC[N@H+](C)CCN(C)C(=O)C[C@@H](C)CC(C)(C)C ZINC001482630127 927332660 /nfs/dbraw/zinc/33/26/60/927332660.db2.gz DLIGMFSVWLKAIW-CQSZACIVSA-N 1 1 268.445 3.025 20 30 CGEDMO C=CC1(CC(=O)N(C)CC[N@@H+](C)CC(=C)C)CCCCC1 ZINC001482634472 927332887 /nfs/dbraw/zinc/33/28/87/927332887.db2.gz GIAKSKXXEKPKFL-UHFFFAOYSA-N 1 1 292.467 3.479 20 30 CGEDMO C#CCC[N@H+](C)CCN(C)C(=O)C[C@H](C)C1CCCCC1 ZINC001482634966 927334404 /nfs/dbraw/zinc/33/44/04/927334404.db2.gz OWKTZHYGLGODHF-INIZCTEOSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCCC)C1 ZINC001482659555 927340006 /nfs/dbraw/zinc/34/00/06/927340006.db2.gz OQUPTVUHWUYGBC-HOTGVXAUSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)/C=C(/C)CC)CC[C@@H]21 ZINC001482663636 927341244 /nfs/dbraw/zinc/34/12/44/927341244.db2.gz WSRWYKJLSUTRKU-AMCSTGOPSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CC(=C)Cl)C1 ZINC001482664672 927342272 /nfs/dbraw/zinc/34/22/72/927342272.db2.gz VYTVUHJKSKHACE-HUUCEWRRSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@H](C)NC(=O)C(C)(C)CC ZINC001483377828 927492595 /nfs/dbraw/zinc/49/25/95/927492595.db2.gz GZGYZXHCOWCOQE-KBPBESRZSA-N 1 1 268.445 3.214 20 30 CGEDMO C#CCC[N@H+](C)C[C@H](C)NC(=O)[C@H](CC)CC1CCCC1 ZINC001483388347 927495869 /nfs/dbraw/zinc/49/58/69/927495869.db2.gz DZYJAYNKSNHWNE-DOTOQJQBSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)c1cccc(C)c1 ZINC001483392388 927496175 /nfs/dbraw/zinc/49/61/75/927496175.db2.gz WWEIAGHSAHVPMW-HOTGVXAUSA-N 1 1 288.435 3.111 20 30 CGEDMO CC#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)CC1CCCCC1 ZINC001483415465 927502302 /nfs/dbraw/zinc/50/23/02/927502302.db2.gz OSGKKHJKZJUWCT-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)C/C=C(/C)C=C)C2)C1 ZINC001483833122 927630541 /nfs/dbraw/zinc/63/05/41/927630541.db2.gz IKHFNQNGJHIYIY-FAKSIROFSA-N 1 1 288.435 3.009 20 30 CGEDMO C#CCCCCC(=O)N(C)C1C[NH+]([C@H](C)c2ccccc2)C1 ZINC001483859989 927635528 /nfs/dbraw/zinc/63/55/28/927635528.db2.gz IDXCKICLDAEQTF-MRXNPFEDSA-N 1 1 298.430 3.084 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)c2cc(C)cs2)C1 ZINC001484159305 927684003 /nfs/dbraw/zinc/68/40/03/927684003.db2.gz RWESKVFPCCIDGN-INIZCTEOSA-N 1 1 292.448 3.074 20 30 CGEDMO C=CCCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](C/C=C/Cl)C2 ZINC001484317642 927692058 /nfs/dbraw/zinc/69/20/58/927692058.db2.gz HULVGYWBIOEREE-WBZPIZBHSA-N 1 1 296.842 3.064 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)CC=C ZINC001484464801 927708965 /nfs/dbraw/zinc/70/89/65/927708965.db2.gz OSYIBJPPGIVAJJ-JKSUJKDBSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CCC[N@@H+](C/C=C/Cl)CC1 ZINC001484715687 927741484 /nfs/dbraw/zinc/74/14/84/927741484.db2.gz VCADXGINFSDLHI-MRZGDXHCSA-N 1 1 298.858 3.312 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C)CC(C)(C)C)CC1 ZINC001484722390 927747645 /nfs/dbraw/zinc/74/76/45/927747645.db2.gz VEVRJTHZOOVAJF-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCN(C)C(=O)CC(F)(F)F ZINC001484735213 927749235 /nfs/dbraw/zinc/74/92/35/927749235.db2.gz PQLCMRLCHFFYLE-LBPRGKRZSA-N 1 1 294.361 3.074 20 30 CGEDMO C=CC[N@H+](C)CCCN(C)C(=O)c1cc(C)cc(Cl)c1 ZINC001484750919 927751206 /nfs/dbraw/zinc/75/12/06/927751206.db2.gz POTUKHXRVQMAOA-UHFFFAOYSA-N 1 1 294.826 3.228 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@]12C[C@H]1CCC2 ZINC001484750451 927752815 /nfs/dbraw/zinc/75/28/15/927752815.db2.gz IWTCQKMIEITANL-LZLYRXPVSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CCC[N@H+](C)CCCN(C)C(=O)[C@H]1CCCC[C@H]1CC ZINC001484763800 927753175 /nfs/dbraw/zinc/75/31/75/927753175.db2.gz TWGBCRPIAVSYSB-SJORKVTESA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H](C)CC)cc2C1 ZINC001484875118 927764421 /nfs/dbraw/zinc/76/44/21/927764421.db2.gz UYQUXBVNWFCPQE-AWEZNQCLSA-N 1 1 286.419 3.241 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)C2CC2)C(C)(C)C1 ZINC001484943409 927774646 /nfs/dbraw/zinc/77/46/46/927774646.db2.gz NNGOIMMWMKHOJP-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)C(C)C)C[C@H]1C ZINC001484967517 927777586 /nfs/dbraw/zinc/77/75/86/927777586.db2.gz LRYCYBGVRHYOBS-HZPDHXFCSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@]12C[C@H]1CCC2 ZINC001485064724 927797290 /nfs/dbraw/zinc/79/72/90/927797290.db2.gz MOOWFMUTSKMESG-SOLBZPMBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](CC)SC ZINC001485058096 927798796 /nfs/dbraw/zinc/79/87/96/927798796.db2.gz YHIZSZNTAGQIDC-GJZGRUSLSA-N 1 1 298.496 3.017 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]1C[N@H+](C)C[C@@H](C)CC ZINC001485067108 927800140 /nfs/dbraw/zinc/80/01/40/927800140.db2.gz HRMZCNFXYZSVQY-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)c1ccc(CC)s1 ZINC001485061708 927803313 /nfs/dbraw/zinc/80/33/13/927803313.db2.gz KAQDDQXDDNYTLV-CYBMUJFWSA-N 1 1 292.448 3.033 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)C(C)(C)C(C)(F)F)C(C)C ZINC001493875967 927804746 /nfs/dbraw/zinc/80/47/46/927804746.db2.gz ZUNVHRQSRRVBME-UHFFFAOYSA-N 1 1 290.398 3.071 20 30 CGEDMO CCCCCCCC(=O)Nc1ccc2nc(C[NH3+])[nH]c2c1 ZINC001358427804 937196596 /nfs/dbraw/zinc/19/65/96/937196596.db2.gz LPNQOQASJFOPFW-UHFFFAOYSA-N 1 1 288.395 3.321 20 30 CGEDMO C=CCCC(=O)NC[C@@H](C)[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001485284048 927838072 /nfs/dbraw/zinc/83/80/72/927838072.db2.gz DZGHXERIOWTAJU-RHSMWYFYSA-N 1 1 286.419 3.077 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001485300816 927844247 /nfs/dbraw/zinc/84/42/47/927844247.db2.gz GPTQQWZHWAUXHR-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)c1cc(C)ccc1F ZINC001485357587 927855508 /nfs/dbraw/zinc/85/55/08/927855508.db2.gz NFCBMKYKVHBDFS-AWEZNQCLSA-N 1 1 292.398 3.150 20 30 CGEDMO C=CCN(C)CC[N@@H+](CC)CCO[C@@H]1CCCC[C@H]1C ZINC001473432486 937199253 /nfs/dbraw/zinc/19/92/53/937199253.db2.gz UBQGSKANDLUALG-IAGOWNOFSA-N 1 1 282.472 3.021 20 30 CGEDMO C=CC[N@@H+](C)CCN(CC)CCO[C@@H]1CCCC[C@H]1C ZINC001473432486 937199255 /nfs/dbraw/zinc/19/92/55/937199255.db2.gz UBQGSKANDLUALG-IAGOWNOFSA-N 1 1 282.472 3.021 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)CCO[C@@H]1CCCC[C@H]1C ZINC001473432486 937199257 /nfs/dbraw/zinc/19/92/57/937199257.db2.gz UBQGSKANDLUALG-IAGOWNOFSA-N 1 1 282.472 3.021 20 30 CGEDMO C=CCN(C)CC[N@@H+](CC)CCO[C@H]1CCCC[C@H]1C ZINC001473432491 937199703 /nfs/dbraw/zinc/19/97/03/937199703.db2.gz UBQGSKANDLUALG-SJORKVTESA-N 1 1 282.472 3.021 20 30 CGEDMO C=CC[N@@H+](C)CCN(CC)CCO[C@H]1CCCC[C@H]1C ZINC001473432491 937199705 /nfs/dbraw/zinc/19/97/05/937199705.db2.gz UBQGSKANDLUALG-SJORKVTESA-N 1 1 282.472 3.021 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)CCO[C@H]1CCCC[C@H]1C ZINC001473432491 937199707 /nfs/dbraw/zinc/19/97/07/937199707.db2.gz UBQGSKANDLUALG-SJORKVTESA-N 1 1 282.472 3.021 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)/C(C)=C\CC ZINC001485474687 927875500 /nfs/dbraw/zinc/87/55/00/927875500.db2.gz RXFZAORWGQAYCV-IZNAZMGOSA-N 1 1 278.440 3.280 20 30 CGEDMO CCCCCCC[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC001473513151 937200374 /nfs/dbraw/zinc/20/03/74/937200374.db2.gz NYTHVTFXQPNIIT-QGZVFWFLSA-N 1 1 263.425 3.492 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H]1CCCCC[N@@H+]1CC[C@H](C)F ZINC001485480576 927880936 /nfs/dbraw/zinc/88/09/36/927880936.db2.gz PTTLFWKWNWMLTA-LSDHHAIUSA-N 1 1 298.446 3.308 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@H](C)C(C)(C)C)C(C)(C)C1 ZINC001485570738 927890425 /nfs/dbraw/zinc/89/04/25/927890425.db2.gz WJAYKSRXIWGJQQ-KBPBESRZSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCCC(=O)N[C@H]1C[N@H+](CCC2CCCC2)CC1(C)C ZINC001485563360 927891304 /nfs/dbraw/zinc/89/13/04/927891304.db2.gz LVSGVNLZLLMBIE-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)/C=C\C(C)(C)C)C1 ZINC001493997989 927893433 /nfs/dbraw/zinc/89/34/33/927893433.db2.gz SAVZISHHZKKSCF-DIEDAUMRSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)/C(C)=C/C)C[C@H]2C1 ZINC001485652595 927895786 /nfs/dbraw/zinc/89/57/86/927895786.db2.gz DTWRVGSSPQSYBM-RHJUHISZSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC(C)(C)CC(=O)N1C[C@]2(C)C[N@H+](C(C)C)C[C@]2(C)C1 ZINC001485667971 927898957 /nfs/dbraw/zinc/89/89/57/927898957.db2.gz AOHCJRHMZGCVJF-HDICACEKSA-N 1 1 292.467 3.168 20 30 CGEDMO C#CCC[N@H+](C)C1CCN(C(=O)[C@H](CCC)C(C)C)CC1 ZINC001485764398 927919280 /nfs/dbraw/zinc/91/92/80/927919280.db2.gz PTXHOKLIWDEEFR-QGZVFWFLSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)CSCCC)[C@@H]1C ZINC001486170132 927992097 /nfs/dbraw/zinc/99/20/97/927992097.db2.gz GYCYSJLFTXXUBO-LSDHHAIUSA-N 1 1 298.496 3.065 20 30 CGEDMO CC#CC[N@@H+](C)CCN(C(=O)[C@@H]1CCC(C)(C)C1)C(C)C ZINC001486374967 928015213 /nfs/dbraw/zinc/01/52/13/928015213.db2.gz PDPRBDZVGATFPZ-MRXNPFEDSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CC[C@@H](Oc1cc2c(cc1O)C=[NH+]CC2)C(C)C ZINC001230921368 928075293 /nfs/dbraw/zinc/07/52/93/928075293.db2.gz LUQWPRJWHFCYFO-OAHLLOKOSA-N 1 1 259.349 3.347 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCCC[C@@]2(CC[N@@H+](CC)C2)C1 ZINC001324555585 928093305 /nfs/dbraw/zinc/09/33/05/928093305.db2.gz ABTXWKYSPRJCAG-WMZOPIPTSA-N 1 1 292.467 3.313 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)cc1 ZINC001144573195 928200589 /nfs/dbraw/zinc/20/05/89/928200589.db2.gz DJGZTDFFUMYMGI-IBGZPJMESA-N 1 1 295.357 3.460 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@@H](C)CC)C[C@@H]2C1 ZINC001489205976 928317330 /nfs/dbraw/zinc/31/73/30/928317330.db2.gz OBONLFSMVLCPTG-BBWFWOEESA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[N@H+](CC)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001493001707 928319779 /nfs/dbraw/zinc/31/97/79/928319779.db2.gz WAMCYRQRZCSDKB-OAGGEKHMSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)c1ccsc1C ZINC001490189556 928337271 /nfs/dbraw/zinc/33/72/71/928337271.db2.gz PGDRWKVJDITLOF-ZDUSSCGKSA-N 1 1 294.464 3.463 20 30 CGEDMO C=CC(C)(C)C(=O)NCCC[N@H+](C)CC1=CCCCC1 ZINC001490234463 928338598 /nfs/dbraw/zinc/33/85/98/928338598.db2.gz XHMFUTMPXNFGFG-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)C[N@H+](C)CCCNC(=O)C1(C)CCC(C)CC1 ZINC001490283345 928340294 /nfs/dbraw/zinc/34/02/94/928340294.db2.gz NMGRIKGKHYBDRU-UHFFFAOYSA-N 1 1 280.456 3.217 20 30 CGEDMO C#CCC[N@H+](CC)CCCNC(=O)[C@@H]1CCCC[C@@H]1CC ZINC001490351123 928346813 /nfs/dbraw/zinc/34/68/13/928346813.db2.gz COCPMFDVQIYBDU-DLBZAZTESA-N 1 1 292.467 3.054 20 30 CGEDMO CC#CC[N@H+](CC)CCCNC(=O)[C@@H]1CCCC[C@@H]1CC ZINC001490351859 928348785 /nfs/dbraw/zinc/34/87/85/928348785.db2.gz PMSMTQFBWSCAMU-DLBZAZTESA-N 1 1 292.467 3.054 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001490445796 928358883 /nfs/dbraw/zinc/35/88/83/928358883.db2.gz KMBACCPUBVZLRW-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)CSCCC)C1 ZINC001490431602 928364887 /nfs/dbraw/zinc/36/48/87/928364887.db2.gz VFVRFUHCIPDSGY-CABCVRRESA-N 1 1 298.496 3.065 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)c2sccc2Cl)C1 ZINC001490544013 928366155 /nfs/dbraw/zinc/36/61/55/928366155.db2.gz MDWRPVRJRQFTFG-NSHDSACASA-N 1 1 298.839 3.172 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)/C=C/C(C)(C)C)C1 ZINC001490530587 928369121 /nfs/dbraw/zinc/36/91/21/928369121.db2.gz GYXKZODKHQVVMR-WWUQSUGHSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](F)CC2CCCCC2)C1 ZINC001490570645 928374415 /nfs/dbraw/zinc/37/44/15/928374415.db2.gz QMIILHQMUINPMF-JKSUJKDBSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](CCC)CC(C)C)C1 ZINC001490579560 928375209 /nfs/dbraw/zinc/37/52/09/928375209.db2.gz FTWFFFJYVXBZHE-CVEARBPZSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)CC(C)(C)C)C1 ZINC001490579459 928375790 /nfs/dbraw/zinc/37/57/90/928375790.db2.gz QWEYOXRYPJFCKV-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)C2(CC)CCC2)C1 ZINC001490768576 928385905 /nfs/dbraw/zinc/38/59/05/928385905.db2.gz QCVPDYVIQUZSSX-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)CCC2(C)CC2)C1 ZINC001317856706 928407323 /nfs/dbraw/zinc/40/73/23/928407323.db2.gz JCHXFPGFNPPBFF-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)[C@H]1C[C@@]1(C)C(C)C ZINC001320067803 928488934 /nfs/dbraw/zinc/48/89/34/928488934.db2.gz VSFJVAKURFOAOD-WBVHZDCISA-N 1 1 280.456 3.025 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1CCC[N@@H+](C/C=C\Cl)C1 ZINC001491118008 928833687 /nfs/dbraw/zinc/83/36/87/928833687.db2.gz WHXYCJLCEHZWAC-IQCBXXCUSA-N 1 1 298.858 3.169 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CC(C)C1 ZINC001491219672 928845166 /nfs/dbraw/zinc/84/51/66/928845166.db2.gz WQJPBVGXWUBRQI-GPANFISMSA-N 1 1 292.467 3.215 20 30 CGEDMO C#CCOCC[N@@H+]1CCC[C@@H]1c1cccc(C)c1C ZINC001459527339 937490269 /nfs/dbraw/zinc/49/02/69/937490269.db2.gz LWQOCPORJPWPJL-QGZVFWFLSA-N 1 1 257.377 3.090 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC001459768237 937499448 /nfs/dbraw/zinc/49/94/48/937499448.db2.gz GARVVGJSFMMOLR-PBHICJAKSA-N 1 1 257.377 3.125 20 30 CGEDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001459959354 937508110 /nfs/dbraw/zinc/50/81/10/937508110.db2.gz CBKSTPSWAGFOEK-XHBSWPGZSA-N 1 1 292.810 3.193 20 30 CGEDMO C[N@H+](CCF)Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139404470 931952079 /nfs/dbraw/zinc/95/20/79/931952079.db2.gz IVMTWLBFCDZFJU-UHFFFAOYSA-N 1 1 269.323 3.022 20 30 CGEDMO C[N@@H+](CCF)Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139404470 931952083 /nfs/dbraw/zinc/95/20/83/931952083.db2.gz IVMTWLBFCDZFJU-UHFFFAOYSA-N 1 1 269.323 3.022 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139407298 931952668 /nfs/dbraw/zinc/95/26/68/931952668.db2.gz WSFXBZCSJMZUSI-UHFFFAOYSA-N 1 1 263.344 3.238 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1nccn1CC(F)F ZINC001460887327 937550924 /nfs/dbraw/zinc/55/09/24/937550924.db2.gz RPDLAGMDODJYST-LBPRGKRZSA-N 1 1 269.339 3.079 20 30 CGEDMO N#Cc1ccc2[nH]cc(C[N@H+]3CCC[C@@H]4C[C@@H]43)c2c1 ZINC001140117190 931955952 /nfs/dbraw/zinc/95/59/52/931955952.db2.gz NFRBXVNWSKXEPA-WBMJQRKESA-N 1 1 251.333 3.024 20 30 CGEDMO N#Cc1ccc2[nH]cc(C[N@H+]3C[C@H]4CC[C@@H]3C4)c2c1 ZINC001140115155 931956326 /nfs/dbraw/zinc/95/63/26/931956326.db2.gz OLEJPDMRBYWTSP-GXTWGEPZSA-N 1 1 251.333 3.024 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1csc(NCC)n1 ZINC001460899732 937551791 /nfs/dbraw/zinc/55/17/91/937551791.db2.gz JCYLPPNSFLABLE-UHFFFAOYSA-N 1 1 253.415 3.363 20 30 CGEDMO CC[N@@H+](Cc1cc(C#N)ccc1Cl)C1CCOCC1 ZINC001140601280 931958966 /nfs/dbraw/zinc/95/89/66/931958966.db2.gz LNCCISDCTHBICY-UHFFFAOYSA-N 1 1 278.783 3.213 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001460912107 937552821 /nfs/dbraw/zinc/55/28/21/937552821.db2.gz YMMSKINVMUSLAI-KFWWJZLASA-N 1 1 294.439 3.140 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC(C)(C)C1 ZINC001157172462 931979355 /nfs/dbraw/zinc/97/93/55/931979355.db2.gz QDIIFNOLNJYZFG-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)C1CCC(C)(C)CC1 ZINC001157178238 931979672 /nfs/dbraw/zinc/97/96/72/931979672.db2.gz YOTBIUDMYQWWGO-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)C(C)C ZINC001329452038 932001624 /nfs/dbraw/zinc/00/16/24/932001624.db2.gz YENBHJDIIJNEKQ-GJZGRUSLSA-N 1 1 282.472 3.460 20 30 CGEDMO Cc1ccc(C[NH2+]Cc2c(F)cccc2F)cc1C#N ZINC001461743970 937594945 /nfs/dbraw/zinc/59/49/45/937594945.db2.gz WIHJGKBVCFGSSO-UHFFFAOYSA-N 1 1 272.298 3.435 20 30 CGEDMO Cc1cccnc1[C@H](C)[NH2+]Cc1csc(C#N)c1 ZINC001461816950 937599288 /nfs/dbraw/zinc/59/92/88/937599288.db2.gz MKESTLAYWDRQBC-NSHDSACASA-N 1 1 257.362 3.174 20 30 CGEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(C3(C#N)CC3)cc1)C2 ZINC001229939188 932506137 /nfs/dbraw/zinc/50/61/37/932506137.db2.gz XJEIOUQPJXIQEQ-QLPKVWCKSA-N 1 1 282.387 3.246 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H](Oc2ccc(C3(C#N)CC3)cc2)C1 ZINC001229943334 932506616 /nfs/dbraw/zinc/50/66/16/932506616.db2.gz FEFOBTDHOVBKCJ-QGZVFWFLSA-N 1 1 284.403 3.493 20 30 CGEDMO CC[C@@H](C)[C@H](C[N@@H+](CCC#N)CC(C)(C)C)OC ZINC001461899342 937605286 /nfs/dbraw/zinc/60/52/86/937605286.db2.gz NYTAALGANJXRFA-KGLIPLIRSA-N 1 1 254.418 3.309 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(F)F ZINC001230589459 932592872 /nfs/dbraw/zinc/59/28/72/932592872.db2.gz ZGURDPKWRVGNSB-ZDUSSCGKSA-N 1 1 290.398 3.145 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccco1 ZINC001230589001 932594711 /nfs/dbraw/zinc/59/47/11/932594711.db2.gz UQIGVEWBINLHRJ-HNNXBMFYSA-N 1 1 292.423 3.396 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC1CCCCC1 ZINC001230701088 932610545 /nfs/dbraw/zinc/61/05/45/932610545.db2.gz BLIUCBFUCRUIAD-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CC(C)(C)C ZINC001230786094 932623529 /nfs/dbraw/zinc/62/35/29/932623529.db2.gz QORYROZAALBVLQ-HUUCEWRRSA-N 1 1 280.456 3.310 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CSCCC ZINC001230923313 932643433 /nfs/dbraw/zinc/64/34/33/932643433.db2.gz BQKXNMAWWFNLLT-HUUCEWRRSA-N 1 1 298.496 3.017 20 30 CGEDMO CCCCCCC[N@@H+](C)CCCNC(=O)C1CCC1 ZINC001231092492 932677332 /nfs/dbraw/zinc/67/73/32/932677332.db2.gz RZIPFKZKXLYCKN-UHFFFAOYSA-N 1 1 268.445 3.195 20 30 CGEDMO C=CC(C)(C)C(=O)N(C)C[C@H]1CC[N@@H+]1CC/C=C\CCC ZINC001316602125 932744682 /nfs/dbraw/zinc/74/46/82/932744682.db2.gz SNEBHQFWSYWWEC-ZBTGYSDGSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CC2(CCC2)C1 ZINC001316601088 932745561 /nfs/dbraw/zinc/74/55/61/932745561.db2.gz OGUHZNPPZXUGDG-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H](C)[C@H]1CCC[N@H+](CCC)C1 ZINC001317202224 932819939 /nfs/dbraw/zinc/81/99/39/932819939.db2.gz FHSSHEQCPINFTO-WBVHZDCISA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)C(CC)CC)C1 ZINC001317369333 932855331 /nfs/dbraw/zinc/85/53/31/932855331.db2.gz AJHNVYYJNNNISS-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO CC[C@](C)(C(=O)OC)[N@H+](CC#Cc1ccccc1)CC1CC1 ZINC001462363003 937635612 /nfs/dbraw/zinc/63/56/12/937635612.db2.gz UBFONGPCOZKAGJ-LJQANCHMSA-N 1 1 299.414 3.092 20 30 CGEDMO CC[C@](C)(C(=O)OC)[N@@H+](CC#Cc1ccccc1)CC1CC1 ZINC001462363003 937635614 /nfs/dbraw/zinc/63/56/14/937635614.db2.gz UBFONGPCOZKAGJ-LJQANCHMSA-N 1 1 299.414 3.092 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC[C@H]([N@H+](C)CC(=C)Cl)C1 ZINC001317379736 932861284 /nfs/dbraw/zinc/86/12/84/932861284.db2.gz QQCXKUATOPNEFW-GJZGRUSLSA-N 1 1 298.858 3.264 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC[C@H]([N@@H+](C)CC(=C)Cl)C1 ZINC001317379736 932861289 /nfs/dbraw/zinc/86/12/89/932861289.db2.gz QQCXKUATOPNEFW-GJZGRUSLSA-N 1 1 298.858 3.264 20 30 CGEDMO C=CC(C)(C)CCCNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC001306891444 932891947 /nfs/dbraw/zinc/89/19/47/932891947.db2.gz FEBUDQZOYVNBDZ-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CC[N@@H+](C[C@@H]1CCC2(CCC2)O1)C1CCCCC1 ZINC001307444503 932953158 /nfs/dbraw/zinc/95/31/58/932953158.db2.gz DHYCNAUKZQZWMQ-INIZCTEOSA-N 1 1 261.409 3.356 20 30 CGEDMO C=C(C)C[C@H]([NH2+]C1CCCCCCC1)C(=O)OC ZINC001462504634 937646115 /nfs/dbraw/zinc/64/61/15/937646115.db2.gz JLDOOGFEKPKUDR-AWEZNQCLSA-N 1 1 253.386 3.197 20 30 CGEDMO CC(C)C[N@@H+](C[C@H](O)CC1(C#N)CCC1)CC(C)(C)C ZINC001307583658 932973212 /nfs/dbraw/zinc/97/32/12/932973212.db2.gz POIQAUNSFDGLIV-OAHLLOKOSA-N 1 1 280.456 3.435 20 30 CGEDMO C=C(C)C[C@@H]([NH2+][C@@H]1CCCC(C)(C)C1)C(=O)OCC ZINC001462550108 937649704 /nfs/dbraw/zinc/64/97/04/937649704.db2.gz NYWRYLMGBPGWOD-ZIAGYGMSSA-N 1 1 267.413 3.443 20 30 CGEDMO CCc1ccc(C[N@@H+](CC#CCOC)CC(C)C)cc1 ZINC001307869409 933012606 /nfs/dbraw/zinc/01/26/06/933012606.db2.gz FOUDBRWQKWRCLJ-UHFFFAOYSA-N 1 1 273.420 3.357 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(OC(C)C)c1)[C@@H](C)COC ZINC001307923240 933020427 /nfs/dbraw/zinc/02/04/27/933020427.db2.gz GDEJXYFDYVIFNG-HNNXBMFYSA-N 1 1 277.408 3.497 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](C[C@@H](O)CC2CCCC2)C1 ZINC001307915879 933020844 /nfs/dbraw/zinc/02/08/44/933020844.db2.gz ZACZTZHIQMJBGW-CVEARBPZSA-N 1 1 251.414 3.216 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C)c(F)c2)C1 ZINC001307961107 933026601 /nfs/dbraw/zinc/02/66/01/933026601.db2.gz HIHMPOVAEKODHZ-AWEZNQCLSA-N 1 1 290.382 3.361 20 30 CGEDMO C=C(CC)C[N@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC001308037333 933039251 /nfs/dbraw/zinc/03/92/51/933039251.db2.gz AYAOYQRVLGBMBX-MRXNPFEDSA-N 1 1 251.414 3.481 20 30 CGEDMO C[C@H](c1ccc2c(c1)CCC2)[N@@H+]1CCC[C@H](C#N)C1 ZINC001308064099 933043509 /nfs/dbraw/zinc/04/35/09/933043509.db2.gz MFHAJSKWXLXDKN-ZIAGYGMSSA-N 1 1 254.377 3.472 20 30 CGEDMO C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CCC[C@H](C#N)C1 ZINC001308064099 933043511 /nfs/dbraw/zinc/04/35/11/933043511.db2.gz MFHAJSKWXLXDKN-ZIAGYGMSSA-N 1 1 254.377 3.472 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C1 ZINC001308071712 933044448 /nfs/dbraw/zinc/04/44/48/933044448.db2.gz AUDYTRAHJGFYNK-CHWSQXEVSA-N 1 1 282.428 3.186 20 30 CGEDMO C=CCCC[N@@H+](CC)[C@@H](C(=O)OC)c1cccc(OC)c1 ZINC001308135031 933054947 /nfs/dbraw/zinc/05/49/47/933054947.db2.gz VMVXVKTZBCFGTQ-MRXNPFEDSA-N 1 1 291.391 3.197 20 30 CGEDMO C=CCCC[N@H+](CC)[C@@H](C(=O)OC)c1cccc(OC)c1 ZINC001308135031 933054950 /nfs/dbraw/zinc/05/49/50/933054950.db2.gz VMVXVKTZBCFGTQ-MRXNPFEDSA-N 1 1 291.391 3.197 20 30 CGEDMO C=CCCC[N@H+](CC)CC(=O)N[C@H](C)c1ccccc1 ZINC001308134068 933055616 /nfs/dbraw/zinc/05/56/16/933055616.db2.gz LVLIHGPPZSRLNS-OAHLLOKOSA-N 1 1 274.408 3.152 20 30 CGEDMO C#C[C@@H]1CCCC[N@H+]1Cc1ccc2ncccc2c1 ZINC001308143829 933056597 /nfs/dbraw/zinc/05/65/97/933056597.db2.gz WDZIQTUXIRBTMM-MRXNPFEDSA-N 1 1 250.345 3.223 20 30 CGEDMO CC#CC[N@@H+](C)Cc1cc(-c2ccncc2)ccc1OC ZINC001462628548 937655496 /nfs/dbraw/zinc/65/54/96/937655496.db2.gz GEMREVNILPTLPB-UHFFFAOYSA-N 1 1 280.371 3.212 20 30 CGEDMO CC#CC[N@H+](C)Cc1cc(-c2ccncc2)ccc1OC ZINC001462628548 937655498 /nfs/dbraw/zinc/65/54/98/937655498.db2.gz GEMREVNILPTLPB-UHFFFAOYSA-N 1 1 280.371 3.212 20 30 CGEDMO C#CC[N@@H+](Cc1cc2c(cccc2O)s1)C(C)C ZINC001462628062 937655598 /nfs/dbraw/zinc/65/55/98/937655598.db2.gz BETFNTJOVASLPZ-UHFFFAOYSA-N 1 1 259.374 3.451 20 30 CGEDMO CCn1ccc(C[N@H+](CC)[C@H](C)c2ccc(C#N)cc2)n1 ZINC001308618582 933142728 /nfs/dbraw/zinc/14/27/28/933142728.db2.gz IEPUZLICFVVZGU-CQSZACIVSA-N 1 1 282.391 3.358 20 30 CGEDMO CCn1ccc(C[N@@H+](CC)[C@H](C)c2ccc(C#N)cc2)n1 ZINC001308618582 933142731 /nfs/dbraw/zinc/14/27/31/933142731.db2.gz IEPUZLICFVVZGU-CQSZACIVSA-N 1 1 282.391 3.358 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1c(Cl)ccnc1Cl)C(C)C ZINC001308750956 933169617 /nfs/dbraw/zinc/16/96/17/933169617.db2.gz PSFPJXAHHGJYEX-LLVKDONJSA-N 1 1 257.164 3.136 20 30 CGEDMO C=CCC[C@H]([NH2+][C@H]1CCCC(C)(C)C1)C(=O)OCC ZINC001308769129 933174159 /nfs/dbraw/zinc/17/41/59/933174159.db2.gz FYOUZBMLBYCAHZ-KBPBESRZSA-N 1 1 267.413 3.443 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc3c(c2)C[C@H](C)O3)C1 ZINC001308831606 933185939 /nfs/dbraw/zinc/18/59/39/933185939.db2.gz CUGAMDJRSYIZLZ-LSDHHAIUSA-N 1 1 269.388 3.245 20 30 CGEDMO N#CCc1ccc(C[NH2+]Cc2cc(F)c(F)cc2O)cc1 ZINC001308836691 933186714 /nfs/dbraw/zinc/18/67/14/933186714.db2.gz VHBYUYSMEACVBH-UHFFFAOYSA-N 1 1 288.297 3.026 20 30 CGEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)Nc2cccc(C(C)C)c2)C1 ZINC001310033216 933248543 /nfs/dbraw/zinc/24/85/43/933248543.db2.gz QRBMWJKRRGAAAD-QGZVFWFLSA-N 1 1 299.418 3.029 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cccc(C(C)C)c2)C1 ZINC001310033216 933248548 /nfs/dbraw/zinc/24/85/48/933248548.db2.gz QRBMWJKRRGAAAD-QGZVFWFLSA-N 1 1 299.418 3.029 20 30 CGEDMO C=C(C)C[N@H+](CC)CCNC(=O)C[C@H](CC)C(C)(C)C ZINC001317489239 933254270 /nfs/dbraw/zinc/25/42/70/933254270.db2.gz YLAJTZSKCLWGCA-HNNXBMFYSA-N 1 1 282.472 3.463 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)/C=C(\C)C1CC1 ZINC001317495672 933265242 /nfs/dbraw/zinc/26/52/42/933265242.db2.gz AFVRUXXUAYBXHT-DVINNUGASA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)CCCC1CC1 ZINC001317510006 933304792 /nfs/dbraw/zinc/30/47/92/933304792.db2.gz TWMWHDNWPJCOBY-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C2CCC(F)CC2)[C@H]1C ZINC001316791774 933479563 /nfs/dbraw/zinc/47/95/63/933479563.db2.gz ZLHCLOGWNQXJKB-LMPOIIKSSA-N 1 1 296.430 3.060 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CC[N@@H+](CC2CCC2)[C@@H]1C ZINC001316783152 933480319 /nfs/dbraw/zinc/48/03/19/933480319.db2.gz KGAMQTRPHXCAMK-PBHICJAKSA-N 1 1 290.451 3.134 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2C)CC(C)(C)C1 ZINC001316810210 933485523 /nfs/dbraw/zinc/48/55/23/933485523.db2.gz HUDSNRVTKPOJRU-OWCLPIDISA-N 1 1 292.467 3.215 20 30 CGEDMO C=C1CC(C)(C(=O)NCCC[N@H+](C)CCCC(C)C)C1 ZINC001316847233 933488060 /nfs/dbraw/zinc/48/80/60/933488060.db2.gz KHWQUSLKJPPZNY-UHFFFAOYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC[N@H+](CC)CCCNC(=O)[C@H]1CCCC[C@H]1CC ZINC001316904225 933492969 /nfs/dbraw/zinc/49/29/69/933492969.db2.gz KAVBBKFWKFFLMO-CVEARBPZSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCC(=O)N[C@H]1CCC[N@@H+](C/C=C\c2ccccc2)C1 ZINC001316940476 933499365 /nfs/dbraw/zinc/49/93/65/933499365.db2.gz QZOVPLXWXFECLA-VTSXBNNFSA-N 1 1 298.430 3.247 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CCC[N@H+](CCC(=C)C)C2)CCC1 ZINC001316947603 933499680 /nfs/dbraw/zinc/49/96/80/933499680.db2.gz LMNUWRKRQSXFPA-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)/C(C)=C/CC)C1 ZINC001317036464 933517771 /nfs/dbraw/zinc/51/77/71/933517771.db2.gz VDAGKCNKJOAQKH-LRQZKABGSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)CC(C)C)C1 ZINC001317038110 933518338 /nfs/dbraw/zinc/51/83/38/933518338.db2.gz AVCVTYHOMKLKTH-INIZCTEOSA-N 1 1 294.483 3.415 20 30 CGEDMO CCC(CC)CN(CCC#N)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001464928972 937696835 /nfs/dbraw/zinc/69/68/35/937696835.db2.gz QJSFAEKGUGKHSB-INIZCTEOSA-N 1 1 293.455 3.038 20 30 CGEDMO C=C(C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](F)CC ZINC001317096225 933529946 /nfs/dbraw/zinc/52/99/46/933529946.db2.gz RAWNYZBDCMSRSH-HNSVSWJLSA-N 1 1 296.430 3.202 20 30 CGEDMO C=CCN(CC1CCCCC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001465093571 937697711 /nfs/dbraw/zinc/69/77/11/937697711.db2.gz XWDCHVPYMGKFSM-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)/C=C\C(C)(C)C)C1 ZINC001317133773 933538508 /nfs/dbraw/zinc/53/85/08/933538508.db2.gz OGYBFAPHVIONEM-YHWKNFMLSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](CC)CC(C)C)C1 ZINC001317145290 933542235 /nfs/dbraw/zinc/54/22/35/933542235.db2.gz YVXAISQPHWMXOC-IRXDYDNUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001317165611 933543572 /nfs/dbraw/zinc/54/35/72/933543572.db2.gz JHVLZAPPUNVMCQ-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)C2(F)CCCC2)C1 ZINC001317377396 933578873 /nfs/dbraw/zinc/57/88/73/933578873.db2.gz UHALCWGVJGFRKA-OAHLLOKOSA-N 1 1 296.430 3.158 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)CC1CCCCC1 ZINC001317540637 933615343 /nfs/dbraw/zinc/61/53/43/933615343.db2.gz MKTRBVYAWLDVBJ-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C=CCC[N@@H+](CCNC(=O)C1(C2CCC2)CCC1)C1CC1 ZINC001317553623 933616955 /nfs/dbraw/zinc/61/69/55/933616955.db2.gz AVXXBHSWYFHPMY-UHFFFAOYSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCCC[N@H+](CCNC(=O)[C@@H]1CCC[C@@H](F)C1)C1CC1 ZINC001317553130 933617410 /nfs/dbraw/zinc/61/74/10/933617410.db2.gz QEBFUICTFUTZNH-HUUCEWRRSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)CC ZINC001317741112 933640936 /nfs/dbraw/zinc/64/09/36/933640936.db2.gz WMLUGMBBRLQTEW-TWMKSMIVSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001317772133 933646503 /nfs/dbraw/zinc/64/65/03/933646503.db2.gz LTLCLTIOCUOLKN-BBWFWOEESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC(C)(C)CC(=O)NCC[C@H]1CC[N@H+](CCCC)C1 ZINC001317790268 933648782 /nfs/dbraw/zinc/64/87/82/933648782.db2.gz QPZDVHXKGUMBCN-HNNXBMFYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](CCNC(=O)[C@](C)(CC)CCC)C1 ZINC001317804937 933651898 /nfs/dbraw/zinc/65/18/98/933651898.db2.gz GONGXKWUFQSDRR-DOTOQJQBSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CCNC(=O)C2CCC=CCC2)C1 ZINC001317811667 933653658 /nfs/dbraw/zinc/65/36/58/933653658.db2.gz PVWZIUFRLVRRCK-INIZCTEOSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C=C)CC)C1 ZINC001317943706 933667103 /nfs/dbraw/zinc/66/71/03/933667103.db2.gz QWMLYXVCWNFWQG-JKSUJKDBSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)C(C)(C)C=C)C1 ZINC001317940794 933667690 /nfs/dbraw/zinc/66/76/90/933667690.db2.gz MDUFTERZZJQMIR-HUUCEWRRSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCCC[NH+]1CC(NC(=O)C2(CC)CCCCC2)C1 ZINC001318089365 933686013 /nfs/dbraw/zinc/68/60/13/933686013.db2.gz OJZURWJYUXGLMF-UHFFFAOYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2(CCCC)CC2)C1 ZINC001318351743 933715097 /nfs/dbraw/zinc/71/50/97/933715097.db2.gz SGCFKDJIAVWUSB-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2occc2C)C1 ZINC001318379602 933715856 /nfs/dbraw/zinc/71/58/56/933715856.db2.gz ICPQQDYRBHDKOE-HUUCEWRRSA-N 1 1 290.407 3.089 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](CC)CCCCC)C1 ZINC001318445094 933726551 /nfs/dbraw/zinc/72/65/51/933726551.db2.gz JNROTXGFBKAJSL-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)C[C@H]2CC=CCC2)C1 ZINC001318478095 933731999 /nfs/dbraw/zinc/73/19/99/933731999.db2.gz KAWNSXOFZACJCZ-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C ZINC001467727947 937721591 /nfs/dbraw/zinc/72/15/91/937721591.db2.gz XNONNVDYUGLUGI-HOTGVXAUSA-N 1 1 292.467 3.191 20 30 CGEDMO C#CC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC1CC1 ZINC001319446641 933877557 /nfs/dbraw/zinc/87/75/57/933877557.db2.gz SYFKXGIJDZPVHR-UHFFFAOYSA-N 1 1 278.739 3.093 20 30 CGEDMO C#CC[N@@H+](Cc1ncc(-c2ccccc2C)o1)CC1CC1 ZINC001319458685 933879143 /nfs/dbraw/zinc/87/91/43/933879143.db2.gz QJVWDWVAQKESTA-UHFFFAOYSA-N 1 1 280.371 3.495 20 30 CGEDMO C#CC[N@H+](Cc1ncc(-c2ccccc2C)o1)CC1CC1 ZINC001319458685 933879146 /nfs/dbraw/zinc/87/91/46/933879146.db2.gz QJVWDWVAQKESTA-UHFFFAOYSA-N 1 1 280.371 3.495 20 30 CGEDMO C#CC[N@@H+](CC(=O)Nc1ccc2ccccc2c1)CC1CC1 ZINC001319551115 933891879 /nfs/dbraw/zinc/89/18/79/933891879.db2.gz GFRSBWFDBXYPCA-UHFFFAOYSA-N 1 1 292.382 3.124 20 30 CGEDMO C#CC[N@H+](CC(=O)Nc1ccc2ccccc2c1)CC1CC1 ZINC001319551115 933891888 /nfs/dbraw/zinc/89/18/88/933891888.db2.gz GFRSBWFDBXYPCA-UHFFFAOYSA-N 1 1 292.382 3.124 20 30 CGEDMO C=CC[C@H](CO)CNc1cc(C)c2ccccc2[nH+]1 ZINC001320041025 933984955 /nfs/dbraw/zinc/98/49/55/933984955.db2.gz HEAKCPQLVGTBLZ-ZDUSSCGKSA-N 1 1 256.349 3.140 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cccc(Cl)c2)C1 ZINC001320039948 933985089 /nfs/dbraw/zinc/98/50/89/933985089.db2.gz SBBVVNBVZZSODN-CQSZACIVSA-N 1 1 251.757 3.117 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC001320091958 933996987 /nfs/dbraw/zinc/99/69/87/933996987.db2.gz QDSLYOAJXBASTN-MRXNPFEDSA-N 1 1 268.360 3.012 20 30 CGEDMO CC[N@H+]1CCC[C@H](CN[C@H](C)c2ccc(C#N)c(F)c2)C1 ZINC001320096297 933999812 /nfs/dbraw/zinc/99/98/12/933999812.db2.gz RHQNUFMYVVZKSB-ZIAGYGMSSA-N 1 1 289.398 3.080 20 30 CGEDMO C#CC[N@H+](Cc1cc(F)cc(Cl)c1)CC1CC1 ZINC001320462503 934051449 /nfs/dbraw/zinc/05/14/49/934051449.db2.gz XOKTVJVOXJTFCQ-UHFFFAOYSA-N 1 1 251.732 3.324 20 30 CGEDMO C=CC[C@@H]([NH2+][C@H](C)CCC=C(C)C)C(=O)OCC ZINC001321965423 934228038 /nfs/dbraw/zinc/22/80/38/934228038.db2.gz BFUPDAXMLNMYBI-ZIAGYGMSSA-N 1 1 253.386 3.219 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)c1c(C)oc(C)c1C ZINC001322195205 934256564 /nfs/dbraw/zinc/25/65/64/934256564.db2.gz BVMUAYWEASFXSD-GFCCVEGCSA-N 1 1 292.423 3.221 20 30 CGEDMO C=CC(C)(C)CCCNC(=O)N(CC)[C@@H]1CC[N@@H+](CC)C1 ZINC001471245970 937763167 /nfs/dbraw/zinc/76/31/67/937763167.db2.gz OJRXSIRPSXSVRX-OAHLLOKOSA-N 1 1 295.471 3.105 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)c1ccoc1Cl ZINC001323232271 934375973 /nfs/dbraw/zinc/37/59/73/934375973.db2.gz PFZLPMLMFUICBE-VXGBXAGGSA-N 1 1 296.798 3.092 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1CC[N@@H+]1CCCCCC ZINC001323277425 934378200 /nfs/dbraw/zinc/37/82/00/934378200.db2.gz LGLKGIILLNQCFH-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](CC)CC(C)C ZINC001323334543 934386975 /nfs/dbraw/zinc/38/69/75/934386975.db2.gz ICJBKQYKWPZIJX-HOTGVXAUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C=C)c1ccccc1 ZINC001323357634 934388356 /nfs/dbraw/zinc/38/83/56/934388356.db2.gz OJAATTJXRCLZRI-MSOLQXFVSA-N 1 1 298.430 3.113 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C=C)c1ccccc1 ZINC001323357636 934388844 /nfs/dbraw/zinc/38/88/44/934388844.db2.gz OJAATTJXRCLZRI-ROUUACIJSA-N 1 1 298.430 3.113 20 30 CGEDMO C=C(C)C[N@@H+](CC1CC1)C1CCN(C(=O)CC2CC2)CC1 ZINC001323719989 934420664 /nfs/dbraw/zinc/42/06/64/934420664.db2.gz IGMPBKFKIPQEJA-UHFFFAOYSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)C=C(C)C)C2)C1 ZINC001323835849 934431827 /nfs/dbraw/zinc/43/18/27/934431827.db2.gz NTBBUBHLJCVVLO-SJLPKXTDSA-N 1 1 290.451 3.232 20 30 CGEDMO COc1ccccc1CO[NH+]=Cc1ccc(N)cc1Cl ZINC001324142633 934464159 /nfs/dbraw/zinc/46/41/59/934464159.db2.gz IXMUOHNJXXXSRS-UHFFFAOYSA-N 1 1 290.750 3.482 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](CCC)C(C)C)C1 ZINC001324655494 934541369 /nfs/dbraw/zinc/54/13/69/934541369.db2.gz FJMKCFKBKHTRFR-DOTOQJQBSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)C/C=C/c2ccc(C)cc2)C1 ZINC001324679735 934548329 /nfs/dbraw/zinc/54/83/29/934548329.db2.gz FMBIIPXKIQMDNY-UEKDZROGSA-N 1 1 298.430 3.165 20 30 CGEDMO C=CC[N@@H+](CC[C@@H]1CCC[C@H](C)C1)CC(=O)OCC ZINC001473131028 937793527 /nfs/dbraw/zinc/79/35/27/937793527.db2.gz MGCXIDPHSZHBMU-GJZGRUSLSA-N 1 1 267.413 3.254 20 30 CGEDMO C=CC[N@H+](CC[C@@H]1CCC[C@H](C)C1)CC(=O)OCC ZINC001473131028 937793529 /nfs/dbraw/zinc/79/35/29/937793529.db2.gz MGCXIDPHSZHBMU-GJZGRUSLSA-N 1 1 267.413 3.254 20 30 CGEDMO C=CC[N@@H+](CC[C@H]1CCC[C@@H](C)C1)CC(=O)OCC ZINC001473131029 937793954 /nfs/dbraw/zinc/79/39/54/937793954.db2.gz MGCXIDPHSZHBMU-HUUCEWRRSA-N 1 1 267.413 3.254 20 30 CGEDMO C=CC[N@H+](CC[C@H]1CCC[C@@H](C)C1)CC(=O)OCC ZINC001473131029 937793956 /nfs/dbraw/zinc/79/39/56/937793956.db2.gz MGCXIDPHSZHBMU-HUUCEWRRSA-N 1 1 267.413 3.254 20 30 CGEDMO CCCCCCCCC[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC001473147141 937794360 /nfs/dbraw/zinc/79/43/60/937794360.db2.gz BHCZHYVLSVDIFS-CABCVRRESA-N 1 1 268.445 3.323 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@H+]2C[C@@H](C)CC[C@@H]2C)cc1 ZINC001473183548 937796569 /nfs/dbraw/zinc/79/65/69/937796569.db2.gz BSJNGKJIDKFRFH-GJZGRUSLSA-N 1 1 284.403 3.117 20 30 CGEDMO C=CC[N@H+](C[C@@H](C)COCc1ccccc1)C1CC1 ZINC001473304904 937801566 /nfs/dbraw/zinc/80/15/66/937801566.db2.gz HOEXUFRXELQULN-OAHLLOKOSA-N 1 1 259.393 3.490 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1C[C@@H]1Cc2cc(OC)ccc2O1 ZINC001473434347 937806742 /nfs/dbraw/zinc/80/67/42/937806742.db2.gz VDCTWLBLVGXGLR-HOCLYGCPSA-N 1 1 273.376 3.039 20 30 CGEDMO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C=C1CCC1)C2 ZINC001325618229 934920477 /nfs/dbraw/zinc/92/04/77/934920477.db2.gz TUGWUKDFKUNMOP-BJWYYQGGSA-N 1 1 288.435 3.032 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](CC(=O)OCc2ccccc2)C1 ZINC001473627239 937815012 /nfs/dbraw/zinc/81/50/12/937815012.db2.gz HLZLRMUBHSPVMD-HNNXBMFYSA-N 1 1 273.376 3.018 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](CC(=O)OCc2ccccc2)C1 ZINC001473627239 937815014 /nfs/dbraw/zinc/81/50/14/937815014.db2.gz HLZLRMUBHSPVMD-HNNXBMFYSA-N 1 1 273.376 3.018 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H](NC(=O)C2CC3(CC3)C2)CC1 ZINC001327148956 935036525 /nfs/dbraw/zinc/03/65/25/935036525.db2.gz WRIWTQPZSYMVPV-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@]2(CC[N@H+](CC(C)C)C2)C1 ZINC001327529304 935066150 /nfs/dbraw/zinc/06/61/50/935066150.db2.gz HBGVYZRXRKBMMS-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)CC1CCC(O)CC1 ZINC001327538819 935068287 /nfs/dbraw/zinc/06/82/87/935068287.db2.gz ZDGVXMHDIMRWEB-UHFFFAOYSA-N 1 1 265.422 3.287 20 30 CGEDMO CC(C)(C)[N@H+]1CC[C@H](NC2CC(C#N)(c3ccccc3)C2)C1 ZINC001327793714 935084626 /nfs/dbraw/zinc/08/46/26/935084626.db2.gz VINLNGVLGBSVIW-MUYFXNHWSA-N 1 1 297.446 3.073 20 30 CGEDMO CC(C)(C)N1CC[C@H]([NH2+]C2CC(C#N)(c3ccccc3)C2)C1 ZINC001327793714 935084632 /nfs/dbraw/zinc/08/46/32/935084632.db2.gz VINLNGVLGBSVIW-MUYFXNHWSA-N 1 1 297.446 3.073 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC001327838608 935088170 /nfs/dbraw/zinc/08/81/70/935088170.db2.gz APXOEZOYMZJKCK-VQIMIIECSA-N 1 1 299.414 3.090 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2(CCCC)CC2)C[C@H]1C ZINC001328282757 935128072 /nfs/dbraw/zinc/12/80/72/935128072.db2.gz ZHXRLSWTXWQIFA-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)c1oc(C)cc1C ZINC001328721289 935163216 /nfs/dbraw/zinc/16/32/16/935163216.db2.gz ZLXIZQZWMCNXCL-OAHLLOKOSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)C1(F)CCCC1 ZINC001328732479 935164250 /nfs/dbraw/zinc/16/42/50/935164250.db2.gz GFNOUCKYMLUEMV-OAHLLOKOSA-N 1 1 296.430 3.158 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCCC)C2)C1 ZINC001328809899 935170860 /nfs/dbraw/zinc/17/08/60/935170860.db2.gz VBCRTTPBCZBXHO-IAGOWNOFSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)c1cccc(C)c1 ZINC001329374932 935210339 /nfs/dbraw/zinc/21/03/39/935210339.db2.gz IZFHSGZCEGKINH-HNNXBMFYSA-N 1 1 274.408 3.011 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)C(CC)CC ZINC001329473995 935218957 /nfs/dbraw/zinc/21/89/57/935218957.db2.gz GVKXQTUANSANOO-KBPBESRZSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)CNC(=O)C[C@@H](C)c1ccccc1C ZINC001329571082 935227809 /nfs/dbraw/zinc/22/78/09/935227809.db2.gz GIOFEFGCIMYXOO-HZPDHXFCSA-N 1 1 288.435 3.111 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)c1sccc1CC ZINC001329625518 935235052 /nfs/dbraw/zinc/23/50/52/935235052.db2.gz WKFDHFFVDCFFRB-ZDUSSCGKSA-N 1 1 294.464 3.327 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)/C=C(\C)CC)C[C@H]2C1 ZINC001330453287 935288260 /nfs/dbraw/zinc/28/82/60/935288260.db2.gz JFPIXBRHSUJGEK-NTTBBCTRSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)/C(C)=C/CC)C[C@H]2C1 ZINC001330449905 935288671 /nfs/dbraw/zinc/28/86/71/935288671.db2.gz AXLQKHSDOBOBDP-CQCCHKABSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H](C)CCCC)CC1 ZINC001331017322 935342188 /nfs/dbraw/zinc/34/21/88/935342188.db2.gz ZONJBSWYQQZQFZ-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@]12CCC[C@H]1[N@@H+](CCC)CC2 ZINC001332089044 935438463 /nfs/dbraw/zinc/43/84/63/935438463.db2.gz ICAXIAWAEAEJGP-RHSMWYFYSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)/C(C)=C/CC)[C@@H]1C ZINC001332166523 935445099 /nfs/dbraw/zinc/44/50/99/935445099.db2.gz RHBGDXMMIRSRJU-XFCDKJKVSA-N 1 1 278.440 3.278 20 30 CGEDMO CC(C)C#CC(=O)N[C@H]1CCC[N@@H+](CCC(C)(C)C)[C@H]1C ZINC001332180202 935446020 /nfs/dbraw/zinc/44/60/20/935446020.db2.gz WQSGWCZZOMSKKK-HOTGVXAUSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C2(CC=C)CCC2)[C@H]1C ZINC001332197990 935448011 /nfs/dbraw/zinc/44/80/11/935448011.db2.gz GXESTNKPNWBWFF-HZPDHXFCSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2c(C)cnn2COC)CCCC1(C)C ZINC001333763687 936063792 /nfs/dbraw/zinc/06/37/92/936063792.db2.gz XNMFDMMPFFADJV-INIZCTEOSA-N 1 1 291.439 3.362 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(C(=O)N2CCCC2)cc1)C(C)(C)C ZINC001333760424 936064256 /nfs/dbraw/zinc/06/42/56/936064256.db2.gz QTBYSQNPTDATCR-UHFFFAOYSA-N 1 1 298.430 3.156 20 30 CGEDMO CC[C@@]1(CO)CCC[N@@H+](Cc2c(C)cc(C#N)cc2C)C1 ZINC001335840701 936163985 /nfs/dbraw/zinc/16/39/85/936163985.db2.gz XUUBLXRDBGCULP-GOSISDBHSA-N 1 1 286.419 3.160 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@H](C3CCC3)CC2)CCC1 ZINC001473742023 937819657 /nfs/dbraw/zinc/81/96/57/937819657.db2.gz NOINVIHPKSPCGU-DLBZAZTESA-N 1 1 290.451 3.333 20 30 CGEDMO C#CC[N@H+](C[C@H](O)C(C)C)[C@H]1CCCc2ccccc21 ZINC001473825830 937823496 /nfs/dbraw/zinc/82/34/96/937823496.db2.gz GNTQRFUEBUKBMZ-ROUUACIJSA-N 1 1 271.404 3.016 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]2CC[C@@]21CNC(=O)OC(C)(C)C ZINC001473835480 937824234 /nfs/dbraw/zinc/82/42/34/937824234.db2.gz IXJNGEXADJGXDU-WMLDXEAASA-N 1 1 294.439 3.332 20 30 CGEDMO C=CCCC[N@H+](CC)CCOC(=O)Cc1ccccc1 ZINC001473861684 937825676 /nfs/dbraw/zinc/82/56/76/937825676.db2.gz HSXVLHMDAOINED-UHFFFAOYSA-N 1 1 275.392 3.060 20 30 CGEDMO C#C[C@@H]1CCCC[N@H+]1Cc1ccc(SC)c(OC)c1 ZINC001473868135 937825977 /nfs/dbraw/zinc/82/59/77/937825977.db2.gz JCPBMLOCYUGJKG-CQSZACIVSA-N 1 1 275.417 3.405 20 30 CGEDMO C#C[C@@H]1CCCC[N@@H+]1Cc1ccc(SC)c(OC)c1 ZINC001473868135 937825979 /nfs/dbraw/zinc/82/59/79/937825979.db2.gz JCPBMLOCYUGJKG-CQSZACIVSA-N 1 1 275.417 3.405 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1ccc(-n2ccnc2)cc1C ZINC001473865514 937826275 /nfs/dbraw/zinc/82/62/75/937826275.db2.gz VFXAWZRDSOEMRQ-MRXNPFEDSA-N 1 1 267.376 3.331 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H](CCC)OC ZINC001474327882 937851987 /nfs/dbraw/zinc/85/19/87/937851987.db2.gz KMSIGDYDBMAZAE-QGZVFWFLSA-N 1 1 277.408 3.498 20 30 CGEDMO C=CCC[C@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)C(=O)OCC ZINC001474528613 937864977 /nfs/dbraw/zinc/86/49/77/937864977.db2.gz RPSYOASFOIPIBO-YJNKXOJESA-N 1 1 267.413 3.299 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](CC)C(C)C ZINC001479261331 937918202 /nfs/dbraw/zinc/91/82/02/937918202.db2.gz RQHCEOXOWZJAIL-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC(C)(C)C(=O)N(C)C[C@@H]1CC[N@H+]1CCC(=C)C ZINC001479250383 937918524 /nfs/dbraw/zinc/91/85/24/937918524.db2.gz RKXKQGIVROSJMH-HNNXBMFYSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)CCC2CC2)[C@H]1CC ZINC001479632431 937923435 /nfs/dbraw/zinc/92/34/35/937923435.db2.gz BOQORVRAYVFATG-JKSUJKDBSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CSCCC ZINC001479732245 937924935 /nfs/dbraw/zinc/92/49/35/937924935.db2.gz AOWJNKLLUGEIHA-HNNXBMFYSA-N 1 1 298.496 3.019 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@@H+](CC=C)CC(C)(C)C1 ZINC001479744046 937925331 /nfs/dbraw/zinc/92/53/31/937925331.db2.gz CILRQNUQNBCEOX-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C1CC(C)(C(=O)NCCC[N@H+](CC)C[C@H](C)CC)C1 ZINC001479853825 937927127 /nfs/dbraw/zinc/92/71/27/937927127.db2.gz GHZSBQGEPOOIEK-CQSZACIVSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CCCC)C(C)C)C1 ZINC001479914949 937928740 /nfs/dbraw/zinc/92/87/40/937928740.db2.gz AUHDTMFWYAFJSD-CVEARBPZSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@@H]2C=CCCC2)C1 ZINC001480077733 937931869 /nfs/dbraw/zinc/93/18/69/937931869.db2.gz HHVKZVDEIFGNGW-SJORKVTESA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CCCC ZINC001480092981 937932187 /nfs/dbraw/zinc/93/21/87/937932187.db2.gz IURQKKUBMCKRHJ-HRCADAONSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CCCC ZINC001480092981 937932188 /nfs/dbraw/zinc/93/21/88/937932188.db2.gz IURQKKUBMCKRHJ-HRCADAONSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CCCC1 ZINC001480095138 937932276 /nfs/dbraw/zinc/93/22/76/937932276.db2.gz VPBPIPRZOMBHQQ-BHYGNILZSA-N 1 1 288.435 3.127 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)CCC)C1 ZINC001480385058 937937820 /nfs/dbraw/zinc/93/78/20/937937820.db2.gz YQURHQZWHZLCEO-JKSUJKDBSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)CCCCCC(C)C)C1 ZINC001480737207 937942945 /nfs/dbraw/zinc/94/29/45/937942945.db2.gz NSVZSMCVDIADFD-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)CC1=CCCCC1 ZINC001480820151 937945104 /nfs/dbraw/zinc/94/51/04/937945104.db2.gz XYVDLYLHWGAPEH-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](CNC(=O)/C(C)=C\C)C1 ZINC001493194615 937948396 /nfs/dbraw/zinc/94/83/96/937948396.db2.gz XVSWFSOAGBSFKF-DNBBOTNYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)[C@H]1CCCCC1(C)C ZINC001493334209 937949529 /nfs/dbraw/zinc/94/95/29/937949529.db2.gz OBZZCDXOWJCQIV-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO CC#CC[N@@H+](CCCNC(=O)[C@H](C)C1CCCC1)C(C)C ZINC001493874802 937951801 /nfs/dbraw/zinc/95/18/01/937951801.db2.gz IIJWTVGSPPCOTJ-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO CC#CC[N@@H+](CCCNC(=O)C[C@@H]1CCC[C@@H]1C)C(C)C ZINC001493859851 937951844 /nfs/dbraw/zinc/95/18/44/937951844.db2.gz ZKRDEKRJQYGILN-IRXDYDNUSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)CC(C)=C(C)C)C1 ZINC001493963431 937952446 /nfs/dbraw/zinc/95/24/46/937952446.db2.gz XCEPZWJFGJRYMG-KRWDZBQOSA-N 1 1 290.451 3.069 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)F)C1 ZINC001494310342 937954293 /nfs/dbraw/zinc/95/42/93/937954293.db2.gz OZEIEQKCHACJHA-AWEZNQCLSA-N 1 1 286.435 3.286 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)c2c(C)coc2C)C1 ZINC001494380857 937954510 /nfs/dbraw/zinc/95/45/10/937954510.db2.gz ORYCLGXJNYOTNQ-UHFFFAOYSA-N 1 1 292.423 3.281 20 30 CGEDMO C=CCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(CC)cc1 ZINC001494647647 937955303 /nfs/dbraw/zinc/95/53/03/937955303.db2.gz BIAFWSYFJDPUCC-ROUUACIJSA-N 1 1 298.430 3.000 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)CCCC ZINC001494651733 937955353 /nfs/dbraw/zinc/95/53/53/937955353.db2.gz GRBNEDGJXVPLSS-PMPSAXMXSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C(C)C ZINC001494656525 937955558 /nfs/dbraw/zinc/95/55/58/937955558.db2.gz USGZBQKUJLOWGD-PMPSAXMXSA-N 1 1 292.467 3.308 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)[C@]1(C)CCC(C)=C(C)C1 ZINC001496844013 937964394 /nfs/dbraw/zinc/96/43/94/937964394.db2.gz NWSKALQTGWCJAV-GOSISDBHSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)C1C(C)(C)C1(C)C ZINC001498252888 937968591 /nfs/dbraw/zinc/96/85/91/937968591.db2.gz BDYZFOGPKKKMLK-ZDUSSCGKSA-N 1 1 280.456 3.071 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)C(F)=C1CCCC1 ZINC001498259396 937968612 /nfs/dbraw/zinc/96/86/12/937968612.db2.gz QSVCPUPRKCEGQH-ZDUSSCGKSA-N 1 1 282.403 3.187 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@H](C)NC(=O)c1cscc1C ZINC001498257588 937968698 /nfs/dbraw/zinc/96/86/98/937968698.db2.gz XDMNCNTXNPGHEP-KBPBESRZSA-N 1 1 294.464 3.461 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H](C)C[N@@H+](C)CC1CCCCC1 ZINC001498301960 937968930 /nfs/dbraw/zinc/96/89/30/937968930.db2.gz VSALTBMVAMTABS-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)C1(C2CCCCC2)CC1 ZINC001498447003 937969958 /nfs/dbraw/zinc/96/99/58/937969958.db2.gz ZKSYKWJHHDIMMC-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCCC[NH+]1CC(N(C)C(=O)C2(CC)CCC2)C1 ZINC001499732567 937974418 /nfs/dbraw/zinc/97/44/18/937974418.db2.gz UOWVZQBMUSMFAT-UHFFFAOYSA-N 1 1 292.467 3.456 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC ZINC001501368019 937979338 /nfs/dbraw/zinc/97/93/38/937979338.db2.gz AZKOUPGNPYFXFU-CVEARBPZSA-N 1 1 280.456 3.432 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)C(C)(C)F ZINC001501658318 937980107 /nfs/dbraw/zinc/98/01/07/937980107.db2.gz MXOSIHQFEIHPOW-UHFFFAOYSA-N 1 1 292.398 3.059 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)CCC(C)C)CC1 ZINC001502107858 937981453 /nfs/dbraw/zinc/98/14/53/937981453.db2.gz SZFKEASBIOCFAM-MRXNPFEDSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)C[C@H](C)CC(C)C)CC1 ZINC001502143336 937981549 /nfs/dbraw/zinc/98/15/49/937981549.db2.gz QNXPOBNKNBMJSQ-SJORKVTESA-N 1 1 292.467 3.053 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)CC(C)(C)C)CC1 ZINC001502147864 937981729 /nfs/dbraw/zinc/98/17/29/937981729.db2.gz RGGBSUZXRAWWHF-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)[C@]1(C)CC=CCC1 ZINC001502336623 937981905 /nfs/dbraw/zinc/98/19/05/937981905.db2.gz QWCSMNLLFQZCIV-QGZVFWFLSA-N 1 1 278.440 3.089 20 30 CGEDMO C#Cc1ccc(C(=O)N(C)CCC[N@@H+](C)CCCC=C)cc1 ZINC001502359944 937982234 /nfs/dbraw/zinc/98/22/34/937982234.db2.gz JBQGYNQAJZQIQI-UHFFFAOYSA-N 1 1 298.430 3.028 20 30 CGEDMO C=CC[N@H+](C)CCCN(C)C(=O)C1(C)C(C)(C)C1(C)C ZINC001502403698 937982404 /nfs/dbraw/zinc/98/24/04/937982404.db2.gz ZMMXWNXMLDAINC-UHFFFAOYSA-N 1 1 280.456 3.025 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)C1CCC=CCC1 ZINC001502399064 937982431 /nfs/dbraw/zinc/98/24/31/937982431.db2.gz WOHIGGADLUHFTG-UHFFFAOYSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@H+](CCC(=C)C)CC1(C)C ZINC001502820736 937983460 /nfs/dbraw/zinc/98/34/60/937983460.db2.gz MSHFHEWKRSXBQM-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H](NC(=O)C(CCC)CCC)C[C@@H]1C ZINC001502969957 937984067 /nfs/dbraw/zinc/98/40/67/937984067.db2.gz QFXFQCVGWAUESR-DOTOQJQBSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)c1sccc1C ZINC001505418243 937985042 /nfs/dbraw/zinc/98/50/42/937985042.db2.gz UUTXZPHKNYSKCX-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)C[C@H]1CC=CCC1 ZINC001505441360 937985548 /nfs/dbraw/zinc/98/55/48/937985548.db2.gz BZSQPODIXJOBDX-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)c1c[nH]c2ccc(C)cc12 ZINC001506065365 937989200 /nfs/dbraw/zinc/98/92/00/937989200.db2.gz NTLZDAFEKJCMDI-AWEZNQCLSA-N 1 1 299.418 3.103 20 30 CGEDMO C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](C)C(CC)CC ZINC001506558292 937990585 /nfs/dbraw/zinc/99/05/85/937990585.db2.gz LTNZQQSSIQSFFP-WBVHZDCISA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)/C(C)=C\C ZINC001506563789 937990811 /nfs/dbraw/zinc/99/08/11/937990811.db2.gz SMBIHAQJPRROOX-MBNGJLNHSA-N 1 1 284.831 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)/C(C)=C\C ZINC001506563789 937990812 /nfs/dbraw/zinc/99/08/12/937990812.db2.gz SMBIHAQJPRROOX-MBNGJLNHSA-N 1 1 284.831 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)C[C@H](C)C1CC1 ZINC001506581878 937991052 /nfs/dbraw/zinc/99/10/52/937991052.db2.gz LKEDKJDWQQSIDI-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC(=O)N[C@H]1C[N@H+](CCCC(C)C)CC1(C)C ZINC001506726787 937991469 /nfs/dbraw/zinc/99/14/69/937991469.db2.gz FVBKTIKUISERTE-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1C[N@@H+](CC2CCC2)CC1(C)C ZINC001506744967 937991665 /nfs/dbraw/zinc/99/16/65/937991665.db2.gz SGQBIZPYSMHORT-HNNXBMFYSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@](C)(F)CCCC)C2)C1 ZINC001506862695 937992098 /nfs/dbraw/zinc/99/20/98/937992098.db2.gz ASDFCYFBBJVEGW-INIZCTEOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)CCC3CCCC3)CCC[C@H]12 ZINC001507336336 937995264 /nfs/dbraw/zinc/99/52/64/937995264.db2.gz RPUQHBKZKYCOOF-FUHWJXTLSA-N 1 1 290.451 3.256 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@]12CCC[C@@H]1[N@@H+](CC1CC1)CC2 ZINC001507346993 937995378 /nfs/dbraw/zinc/99/53/78/937995378.db2.gz WQEIPVSTFDTKMA-MAUKXSAKSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)CC2(C)CCCC2)CC1 ZINC001508199636 937998397 /nfs/dbraw/zinc/99/83/97/937998397.db2.gz AJMLNVWYGQPKDH-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CC[C@H]1N(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCC1(C)C ZINC001519870378 938021398 /nfs/dbraw/zinc/02/13/98/938021398.db2.gz IYUQQCIUQGVVIJ-JKSUJKDBSA-N 1 1 292.467 3.453 20 30 CGEDMO C=C(CC)C(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC001528408597 938067282 /nfs/dbraw/zinc/06/72/82/938067282.db2.gz DXXGHEADYBELEA-MRXNPFEDSA-N 1 1 298.386 3.193 20 30 CGEDMO CCCCCCC[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001542186471 938135311 /nfs/dbraw/zinc/13/53/11/938135311.db2.gz XWMSTKAICMKBAD-BZUAXINKSA-N 1 1 282.472 3.439 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC001559688774 938232814 /nfs/dbraw/zinc/23/28/14/938232814.db2.gz CSKLXQNVFCAVHI-IRXDYDNUSA-N 1 1 275.392 3.268 20 30 CGEDMO CC(C)(C)C1=CC[N@@H+](C[C@H](O)c2cccc(C#N)c2)CC1 ZINC001559719405 938233494 /nfs/dbraw/zinc/23/34/94/938233494.db2.gz FEWMHDCANIOTMV-KRWDZBQOSA-N 1 1 284.403 3.270 20 30 CGEDMO CC(C)(C)[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001559788237 938235883 /nfs/dbraw/zinc/23/58/83/938235883.db2.gz ZEJVDSNKRVOMIA-IAGOWNOFSA-N 1 1 286.419 3.350 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@]1(CO)CC(C)C ZINC001559805584 938236142 /nfs/dbraw/zinc/23/61/42/938236142.db2.gz SVBPQBRBGKCTOA-QGZVFWFLSA-N 1 1 265.441 3.443 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(F)cc1)C1CC(OC(C)(C)C)C1 ZINC001559920230 938238975 /nfs/dbraw/zinc/23/89/75/938238975.db2.gz DCZDPUCWGFUBBX-UHFFFAOYSA-N 1 1 289.394 3.455 20 30 CGEDMO COC[C@@H](C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1)C(C)C ZINC001559930645 938239225 /nfs/dbraw/zinc/23/92/25/938239225.db2.gz BLGDRJAYMSDPII-WMLDXEAASA-N 1 1 274.408 3.470 20 30 CGEDMO C#CCC[N@@H+](C/C=C\c1ccc(Cl)cc1)CCOC ZINC001560023692 938241865 /nfs/dbraw/zinc/24/18/65/938241865.db2.gz IPHBRBXTXQXEOS-WAYWQWQTSA-N 1 1 277.795 3.325 20 30 CGEDMO CC[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001560018179 938241916 /nfs/dbraw/zinc/24/19/16/938241916.db2.gz IMAZDIWCVSKMTJ-IAOVAPTHSA-N 1 1 272.392 3.245 20 30 CGEDMO C#CC[N@H+](Cc1cc(=O)oc2c(C)c(O)ccc12)C(C)(C)C ZINC001560155995 938245560 /nfs/dbraw/zinc/24/55/60/938245560.db2.gz AECNLJKEFRAJKA-UHFFFAOYSA-N 1 1 299.370 3.041 20 30 CGEDMO C#CC[N@H+](C[C@@H]1CCO[C@@H]1C)[C@H]1CCCc2ccccc21 ZINC001560171991 938245747 /nfs/dbraw/zinc/24/57/47/938245747.db2.gz LDBXTWLJXMDZLS-AYBZRNKSSA-N 1 1 283.415 3.424 20 30 CGEDMO CCCCCCCC[N@@H+]1C[C@@]2(CO)CCCC[C@@]2(CO)C1 ZINC001560199244 938246818 /nfs/dbraw/zinc/24/68/18/938246818.db2.gz OISPXZFQTYWNKW-HDICACEKSA-N 1 1 297.483 3.194 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1ccc2c(c1)OC(F)(F)O2 ZINC001560206391 938247067 /nfs/dbraw/zinc/24/70/67/938247067.db2.gz WVNUDPYQAIIADO-NSHDSACASA-N 1 1 267.275 3.159 20 30 CGEDMO C#C[C@@H]1CCCC[N@@H+]1CCOc1ccc(SC)cc1 ZINC001560209764 938247281 /nfs/dbraw/zinc/24/72/81/938247281.db2.gz XGVCGTVKHOYMIS-CQSZACIVSA-N 1 1 275.417 3.275 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2c(F)cccc2OCC)C1 ZINC001560906365 938283307 /nfs/dbraw/zinc/28/33/07/938283307.db2.gz IMAOYQMPSHMBRH-CYBMUJFWSA-N 1 1 261.340 3.070 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cn(CC)nc2-c2ccccc2)C1 ZINC001560906993 938283328 /nfs/dbraw/zinc/28/33/28/938283328.db2.gz YJRCNEQDLMFHME-INIZCTEOSA-N 1 1 293.414 3.415 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1ccc(CCC)s1 ZINC001560946789 938283620 /nfs/dbraw/zinc/28/36/20/938283620.db2.gz ZANGHEKJKTXLKN-UHFFFAOYSA-N 1 1 265.422 3.172 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc(N(C)CC)nc2)C1 ZINC001560923264 938283813 /nfs/dbraw/zinc/28/38/13/938283813.db2.gz WFYJJWPPNIQZJF-OAHLLOKOSA-N 1 1 273.424 3.326 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC)CCCCCC)C1 ZINC001567919383 960602505 /nfs/dbraw/zinc/60/25/05/960602505.db2.gz ZTOMJZSDQOVNND-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@@H+](CCC=C)CC(C)(C)C1 ZINC001566127767 960887307 /nfs/dbraw/zinc/88/73/07/960887307.db2.gz GZHQJUHTQWXYMA-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](CC)SC ZINC001566119958 960894069 /nfs/dbraw/zinc/89/40/69/960894069.db2.gz SZMVYUGHLHHQHL-LSDHHAIUSA-N 1 1 298.496 3.017 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CCCCCF)C1 ZINC001566626650 960969109 /nfs/dbraw/zinc/96/91/09/960969109.db2.gz UVEVGAJLVFQIES-OAHLLOKOSA-N 1 1 298.446 3.309 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H](CC)CCCCC)C1 ZINC001566633481 960972129 /nfs/dbraw/zinc/97/21/29/960972129.db2.gz PGTJNCMDHJAIGO-SJORKVTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@@H]1CCCC[N@H+]1CC1CCC1 ZINC001566925625 961054921 /nfs/dbraw/zinc/05/49/21/961054921.db2.gz LVIZOSVYFDSORA-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)C1(C)CC(=C)C1 ZINC001566926100 961056816 /nfs/dbraw/zinc/05/68/16/961056816.db2.gz XBZKOPNRQUAUIJ-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@H](C)CC(C)C ZINC001566929066 961058394 /nfs/dbraw/zinc/05/83/94/961058394.db2.gz SMNFYOPFFORIPM-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)/C(C)=C\CC)C1 ZINC001566957232 961073446 /nfs/dbraw/zinc/07/34/46/961073446.db2.gz DNYMAYWALSTGAG-NBWJXOEWSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC1(CC(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)CCCCC1 ZINC001566988927 961084493 /nfs/dbraw/zinc/08/44/93/961084493.db2.gz GWGWRDOZPPJTOT-HUUCEWRRSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)C(C)C)C1 ZINC001567200260 961137054 /nfs/dbraw/zinc/13/70/54/961137054.db2.gz UEGGLTUQVZUQRQ-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(C=C)cc2)C1 ZINC001567198940 961140719 /nfs/dbraw/zinc/14/07/19/961140719.db2.gz RBXOWOOVHLKTTH-GOSISDBHSA-N 1 1 298.430 3.442 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)C[C@@H](C)CC(C)(C)C ZINC001567345186 961286590 /nfs/dbraw/zinc/28/65/90/961286590.db2.gz LHFAWZHHWUYDAM-OAHLLOKOSA-N 1 1 282.472 3.463 20 30 CGEDMO C=CC1(CC(=O)NCC[N@H+](CC)CCC)CCCCC1 ZINC001567349174 961287267 /nfs/dbraw/zinc/28/72/67/961287267.db2.gz SYJGLKQADSOBTD-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)F ZINC001567356627 961292658 /nfs/dbraw/zinc/29/26/58/961292658.db2.gz BENYLBMWYKPMGG-CQSZACIVSA-N 1 1 286.435 3.286 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](F)CC1CCCCC1 ZINC001567383578 961302381 /nfs/dbraw/zinc/30/23/81/961302381.db2.gz UYMMAXNRDUICHT-HOTGVXAUSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)C(C)(C)C ZINC001567370820 961311924 /nfs/dbraw/zinc/31/19/24/961311924.db2.gz ZCUIOHRUBXWPKA-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)C(CC)CC)C1 ZINC001567404621 961324872 /nfs/dbraw/zinc/32/48/72/961324872.db2.gz AXKSCZQJVRFRTD-HOTGVXAUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](CNC(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001567415830 961330464 /nfs/dbraw/zinc/33/04/64/961330464.db2.gz OVSJIYQTXOKSCV-JKSUJKDBSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@@H+](CCC)CCNC(=O)c1c(C)cccc1F ZINC001567435218 961331240 /nfs/dbraw/zinc/33/12/40/961331240.db2.gz GSLZDCOVONUABR-UHFFFAOYSA-N 1 1 292.398 3.152 20 30 CGEDMO C=C(C)CC[N@@H+](CCC)CCNC(=O)/C=C/C(C)(C)C ZINC001567423727 961332485 /nfs/dbraw/zinc/33/24/85/961332485.db2.gz XQXFIEONZXQTRU-CSKARUKUSA-N 1 1 280.456 3.383 20 30 CGEDMO C=C(C)CCC(=O)NCC[N@@H+](Cc1ccsc1)C1CC1 ZINC001567442681 961336225 /nfs/dbraw/zinc/33/62/25/961336225.db2.gz NDJZATFDRJCXQA-UHFFFAOYSA-N 1 1 292.448 3.185 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CCNC(=O)[C@@H]1CCC1(C)C)C1CC1 ZINC001567448184 961348780 /nfs/dbraw/zinc/34/87/80/961348780.db2.gz GWFRXJOLBHOZDW-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)[C@@]1(C)CC=C(C)CC1)C1CC1 ZINC001567455614 961357502 /nfs/dbraw/zinc/35/75/02/961357502.db2.gz DMFUWBXFFDWXDA-SFHVURJKSA-N 1 1 290.451 3.280 20 30 CGEDMO CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)CCCCC(C)C)C1 ZINC001567740282 961416151 /nfs/dbraw/zinc/41/61/51/961416151.db2.gz YPLPXFATVAUMHS-KRWDZBQOSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC(C[N@H+](C)C[C@H](C)CC)CC1 ZINC001567749607 961428270 /nfs/dbraw/zinc/42/82/70/961428270.db2.gz JPJYZIAOUZGVFO-OAHLLOKOSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCCC(=O)N(C)[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001567907501 961452857 /nfs/dbraw/zinc/45/28/57/961452857.db2.gz UIHYKQQCVHTJNY-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001567925743 961461251 /nfs/dbraw/zinc/46/12/51/961461251.db2.gz SNCZHEDYDQMHFJ-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC1(C(=O)N(C)[C@H]2CC[N@H+](CCC(C)C)C2)CCC1 ZINC001567920472 961467608 /nfs/dbraw/zinc/46/76/08/961467608.db2.gz FKCXZBHWIZWOTO-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)C(CC)CC)CC[C@@H]21 ZINC001568507285 961607631 /nfs/dbraw/zinc/60/76/31/961607631.db2.gz ATKOZCMQMFEEIZ-IRXDYDNUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC1(NC(=O)c2ccc(C[NH+](C)C)o2)CCCCC1 ZINC001569103019 961692118 /nfs/dbraw/zinc/69/21/18/961692118.db2.gz BIZRMWLIQUSKBQ-UHFFFAOYSA-N 1 1 290.407 3.350 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001569118953 961694850 /nfs/dbraw/zinc/69/48/50/961694850.db2.gz YBPAXQZFGGOTPK-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+](C)C[C@@H](C)NC(=O)CC/C=C\c1ccccc1 ZINC001569137634 961697271 /nfs/dbraw/zinc/69/72/71/961697271.db2.gz GDUIANYPHYUEMD-IYCSXQJISA-N 1 1 286.419 3.103 20 30 CGEDMO C=CC[N@H+](C)C[C@H](C)NC(=O)Cc1ccc2ccccc2c1 ZINC001569149862 961708583 /nfs/dbraw/zinc/70/85/83/961708583.db2.gz MTYSWPWOFCLFMV-HNNXBMFYSA-N 1 1 296.414 3.005 20 30 CGEDMO C=CC[N@H+](C)C[C@@H](C)NC(=O)c1sccc1C(C)C ZINC001569152859 961713389 /nfs/dbraw/zinc/71/33/89/961713389.db2.gz KPRFAJDUKQIVKI-GFCCVEGCSA-N 1 1 280.437 3.108 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@]1(C)C=CCC1 ZINC001569369531 961756000 /nfs/dbraw/zinc/75/60/00/961756000.db2.gz HRNHEXICCOZBBJ-SJLPKXTDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+](CC1CC1)C1CCN(C(=O)CCC2CC2)CC1 ZINC001569452164 961769118 /nfs/dbraw/zinc/76/91/18/961769118.db2.gz OJZLNIHICZCJET-UHFFFAOYSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC ZINC001569442934 961769403 /nfs/dbraw/zinc/76/94/03/961769403.db2.gz PBOFZLNQTHISNM-CVEARBPZSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)CCCCC)C2)C1 ZINC001569465041 961776962 /nfs/dbraw/zinc/77/69/62/961776962.db2.gz ZLQHLFMZFPEGPS-KRWDZBQOSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)c2ccoc2C)C1 ZINC001569628566 961807581 /nfs/dbraw/zinc/80/75/81/961807581.db2.gz QNFMSNXAJCJBSZ-CXAGYDPISA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCCC(=O)N[C@@]1(C)CC[N@@H+](CCC2CCCC2)C1 ZINC001569632141 961811606 /nfs/dbraw/zinc/81/16/06/961811606.db2.gz NCJPVJKQMRCHAF-KRWDZBQOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@](C)(NC(=O)c2ccccc2C)C1 ZINC001569628127 961813009 /nfs/dbraw/zinc/81/30/09/961813009.db2.gz IYTISDDMSLZNLZ-SFHVURJKSA-N 1 1 286.419 3.155 20 30 CGEDMO C=CC[N@@H+]1CCC[C@](C)(CNC(=O)C2(CCCC)CC2)C1 ZINC001569719586 961834459 /nfs/dbraw/zinc/83/44/59/961834459.db2.gz MPNNKXKIINOAMP-QGZVFWFLSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](C)CC ZINC001570025230 961883772 /nfs/dbraw/zinc/88/37/72/961883772.db2.gz BYUHVSZITINQRN-HNNXBMFYSA-N 1 1 288.435 3.357 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[C@H](F)C1 ZINC001570196684 961923265 /nfs/dbraw/zinc/92/32/65/961923265.db2.gz OHJDQPRFJUVOAC-CVEARBPZSA-N 1 1 298.446 3.261 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](C[C@@H](C)CC)CC1 ZINC001570182009 961924243 /nfs/dbraw/zinc/92/42/43/961924243.db2.gz UUWVHGWYTHLJPM-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@H+](CC(=C)Cl)CC1(C)C ZINC001570393974 961957009 /nfs/dbraw/zinc/95/70/09/961957009.db2.gz UAKGITXABQUALI-AWEZNQCLSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](CC(=C)Cl)CC1(C)C ZINC001570393974 961957022 /nfs/dbraw/zinc/95/70/22/961957022.db2.gz UAKGITXABQUALI-AWEZNQCLSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C(CC)CC)C[C@H]1C ZINC001570429122 961959051 /nfs/dbraw/zinc/95/90/51/961959051.db2.gz OOBIAUPXBWJXDX-ZBFHGGJFSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](CCCF)CC1(C)C ZINC001570394996 961961317 /nfs/dbraw/zinc/96/13/17/961961317.db2.gz AWGKBCCLYISWBD-AWEZNQCLSA-N 1 1 298.446 3.165 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)CCC)C(C)(C)C1 ZINC001570397938 961961792 /nfs/dbraw/zinc/96/17/92/961961792.db2.gz RFVYVXOFUCRVFD-HNNXBMFYSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CCCCC(=O)N1CCC(C[N@H+](CC)CCCC)CC1 ZINC001570501944 961975511 /nfs/dbraw/zinc/97/55/11/961975511.db2.gz ZEFVWBFRUZHIGV-UHFFFAOYSA-N 1 1 292.467 3.151 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)C1(C2CCC2)CCC1 ZINC001570725668 962057276 /nfs/dbraw/zinc/05/72/76/962057276.db2.gz CSHUGIYVGKFXKS-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1C[N@@H+](CC2CCC2)CC1(C)C ZINC001570904127 962105909 /nfs/dbraw/zinc/10/59/09/962105909.db2.gz BWVXPZTXJTUHNH-HNNXBMFYSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)C2(CC)CCC2)CC1 ZINC001571333576 962131126 /nfs/dbraw/zinc/13/11/26/962131126.db2.gz VYGFEAFHGWCCCU-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)CCC3CC3)CCC[C@H]12 ZINC001571497557 962174157 /nfs/dbraw/zinc/17/41/57/962174157.db2.gz RYFATZCBKOSVMA-GOEBONIOSA-N 1 1 296.842 3.042 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)CCC3CC3)CCC[C@H]12 ZINC001571497557 962174163 /nfs/dbraw/zinc/17/41/63/962174163.db2.gz RYFATZCBKOSVMA-GOEBONIOSA-N 1 1 296.842 3.042 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)[C@H]1C[C@]1(C)C(C)C)C(C)C ZINC001571615316 962186946 /nfs/dbraw/zinc/18/69/46/962186946.db2.gz NFJBCHWGQNOBIU-NVXWUHKLSA-N 1 1 280.456 3.023 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CNC(=O)/C(C)=C/CC)CC1 ZINC001571683053 962214467 /nfs/dbraw/zinc/21/44/67/962214467.db2.gz UTFUTICEUIRQDG-OVCLIPMQSA-N 1 1 276.424 3.057 20 30 CGEDMO C=CC[N@H+](C[C@@H]1CC(F)(F)CN1)CC1CCCCC1 ZINC001574927047 962336242 /nfs/dbraw/zinc/33/62/42/962336242.db2.gz CMMIQXSBPNQZJI-AWEZNQCLSA-N 1 1 272.383 3.052 20 30 CGEDMO C=CCN(Cc1ccccc1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001587804524 963222690 /nfs/dbraw/zinc/22/26/90/963222690.db2.gz NJWCVVGFWVBNML-UHFFFAOYSA-N 1 1 288.435 3.179 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)Cc1nccnc1C ZINC000621725583 349567626 /nfs/dbraw/zinc/56/76/26/349567626.db2.gz UQLOXBSFSZVRCN-UHFFFAOYSA-N 1 1 267.376 3.363 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1nccnc1C ZINC000621725583 349567629 /nfs/dbraw/zinc/56/76/29/349567629.db2.gz UQLOXBSFSZVRCN-UHFFFAOYSA-N 1 1 267.376 3.363 20 30 CGEDMO C=CC[C@H]1CC[C@@H]([NH2+]C2CCN(C3CCC3)CC2)C1 ZINC000651688630 398269684 /nfs/dbraw/zinc/26/96/84/398269684.db2.gz RKYRTJPQNFCQEX-GOEBONIOSA-N 1 1 262.441 3.338 20 30 CGEDMO CCc1nocc1C[N@H+](C)Cc1ccc(C#N)cc1C ZINC000590200038 346836324 /nfs/dbraw/zinc/83/63/24/346836324.db2.gz TYHWERLNYYKTIY-UHFFFAOYSA-N 1 1 269.348 3.049 20 30 CGEDMO CCc1nocc1C[N@@H+](C)Cc1ccc(C#N)cc1C ZINC000590200038 346836327 /nfs/dbraw/zinc/83/63/27/346836327.db2.gz TYHWERLNYYKTIY-UHFFFAOYSA-N 1 1 269.348 3.049 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000590203753 346836381 /nfs/dbraw/zinc/83/63/81/346836381.db2.gz WURFKXJAFCXRFN-SFHVURJKSA-N 1 1 286.419 3.097 20 30 CGEDMO C[NH+](C)Cc1cc(NC(=O)CC2(C#N)CC2)ccc1Cl ZINC000590361573 346844134 /nfs/dbraw/zinc/84/41/34/346844134.db2.gz NKRYFFRTLRCSPQ-UHFFFAOYSA-N 1 1 291.782 3.034 20 30 CGEDMO Cn1nccc1-c1ccccc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000590360111 346844166 /nfs/dbraw/zinc/84/41/66/346844166.db2.gz WWODRADBPOYXPC-GOSISDBHSA-N 1 1 294.402 3.213 20 30 CGEDMO Cn1nccc1-c1ccccc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000590360111 346844168 /nfs/dbraw/zinc/84/41/68/346844168.db2.gz WWODRADBPOYXPC-GOSISDBHSA-N 1 1 294.402 3.213 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccncc1F ZINC000337950730 214326627 /nfs/dbraw/zinc/32/66/27/214326627.db2.gz MJRKQQFZTQXPEP-JTQLQIEISA-N 1 1 273.286 3.082 20 30 CGEDMO Cc1ccc(C[N@@H+](C)CCCOc2cccc(C#N)c2)nc1 ZINC000590754446 346871525 /nfs/dbraw/zinc/87/15/25/346871525.db2.gz JLUAARUVGVLJMX-UHFFFAOYSA-N 1 1 295.386 3.163 20 30 CGEDMO CO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)cc2C)C12CCC2 ZINC000590761955 346872369 /nfs/dbraw/zinc/87/23/69/346872369.db2.gz HCYODAIYBPYDMN-DLBZAZTESA-N 1 1 284.403 3.256 20 30 CGEDMO CC(C)(C)C[N@@H+](CCO)CCC1(C#N)CCCCC1 ZINC000591014040 346894622 /nfs/dbraw/zinc/89/46/22/346894622.db2.gz WRDDJOOEIFXFRB-UHFFFAOYSA-N 1 1 266.429 3.191 20 30 CGEDMO N#Cc1ccccc1N1CCC[N@@H+](CC2=CCCC2)CC1 ZINC000592060292 346958163 /nfs/dbraw/zinc/95/81/63/346958163.db2.gz IMGUGERPXGYJRZ-UHFFFAOYSA-N 1 1 281.403 3.181 20 30 CGEDMO N#CC[C@@]1(O)CC[N@H+](C(c2ccccc2)c2ccccc2)C1 ZINC000592146764 346966766 /nfs/dbraw/zinc/96/67/66/346966766.db2.gz KEWUNFOKOGJPBM-LJQANCHMSA-N 1 1 292.382 3.126 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCOC[C@@H]2C2CCC2)cc1 ZINC000592153579 346967650 /nfs/dbraw/zinc/96/76/50/346967650.db2.gz CAIZYFPCMNGZLU-GOSISDBHSA-N 1 1 298.430 3.489 20 30 CGEDMO CC[N@@H+](Cc1ccncc1C#N)[C@@H]1CCCC[C@@H]1C ZINC000592117075 346964331 /nfs/dbraw/zinc/96/43/31/346964331.db2.gz WSESQWBTYLDWNM-XJKSGUPXSA-N 1 1 257.381 3.354 20 30 CGEDMO CC1=C(c2ccco2)C[N@H+](Cc2ccncc2C#N)CC1 ZINC000592121540 346964887 /nfs/dbraw/zinc/96/48/87/346964887.db2.gz RRBKJVFJNRKGBZ-UHFFFAOYSA-N 1 1 279.343 3.226 20 30 CGEDMO CC1=C(c2ccco2)C[N@@H+](Cc2ccncc2C#N)CC1 ZINC000592121540 346964888 /nfs/dbraw/zinc/96/48/88/346964888.db2.gz RRBKJVFJNRKGBZ-UHFFFAOYSA-N 1 1 279.343 3.226 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCCC[C@@H]2C2CCC2)n1 ZINC000592197468 346971061 /nfs/dbraw/zinc/97/10/61/346971061.db2.gz DNJWDXRBODMQHL-CYBMUJFWSA-N 1 1 261.394 3.169 20 30 CGEDMO CC(C)C[C@H](C[N@H+]1CC[C@](O)(CC#N)C1)c1ccccc1 ZINC000592521797 346995476 /nfs/dbraw/zinc/99/54/76/346995476.db2.gz CBSXKOBNDCSQPY-QZTJIDSGSA-N 1 1 286.419 3.167 20 30 CGEDMO CC1(CC(F)F)C[NH+](Cc2ccc(C#N)cc2)C1 ZINC000592528022 346996620 /nfs/dbraw/zinc/99/66/20/346996620.db2.gz YLMHCKLKLMQWKQ-UHFFFAOYSA-N 1 1 250.292 3.035 20 30 CGEDMO C[N@@H+](CCOc1ccccc1)Cc1cc(C#N)cs1 ZINC000154733647 529926894 /nfs/dbraw/zinc/92/68/94/529926894.db2.gz SMMYDLYVDYGOCE-UHFFFAOYSA-N 1 1 272.373 3.131 20 30 CGEDMO Cc1ccccc1C1([NH2+]Cc2ccncc2C#N)CCC1 ZINC000593040735 347030863 /nfs/dbraw/zinc/03/08/63/347030863.db2.gz TUKUNNYUPNWFIA-UHFFFAOYSA-N 1 1 277.371 3.431 20 30 CGEDMO COc1ccc(C[C@H]2CCCC[N@@H+]2CCC#N)cc1 ZINC000593082490 347037458 /nfs/dbraw/zinc/03/74/58/347037458.db2.gz KQSRFOKZQWXXTI-OAHLLOKOSA-N 1 1 258.365 3.006 20 30 CGEDMO COc1ccc(C[C@H]2CCCC[N@H+]2CCC#N)cc1 ZINC000593082490 347037461 /nfs/dbraw/zinc/03/74/61/347037461.db2.gz KQSRFOKZQWXXTI-OAHLLOKOSA-N 1 1 258.365 3.006 20 30 CGEDMO C[C@@]1(c2cccc(F)c2)CC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000593041316 347031978 /nfs/dbraw/zinc/03/19/78/347031978.db2.gz QXMLQVKHVTWAEB-GOSISDBHSA-N 1 1 295.361 3.256 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCc2ccc(F)cc2[C@H](C)C1 ZINC000593116372 347041066 /nfs/dbraw/zinc/04/10/66/347041066.db2.gz LLTHBEWFCXLQMQ-CHWSQXEVSA-N 1 1 260.356 3.480 20 30 CGEDMO C=CCOc1ccccc1CNC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000040622916 344963965 /nfs/dbraw/zinc/96/39/65/344963965.db2.gz YNYACXIKSFIFBI-INIZCTEOSA-N 1 1 288.435 3.071 20 30 CGEDMO C=CCOc1ccc(CNC[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000040622227 344964137 /nfs/dbraw/zinc/96/41/37/344964137.db2.gz AJXHASVUKMTNPO-QGZVFWFLSA-N 1 1 288.435 3.071 20 30 CGEDMO C=CCOc1ccc(CNC[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000040622227 344964140 /nfs/dbraw/zinc/96/41/40/344964140.db2.gz AJXHASVUKMTNPO-QGZVFWFLSA-N 1 1 288.435 3.071 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](Cc1cccs1)C1CC1 ZINC000036103453 344943478 /nfs/dbraw/zinc/94/34/78/344943478.db2.gz RCFJSSJSJINXHC-ZDUSSCGKSA-N 1 1 251.395 3.040 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000045004483 345019082 /nfs/dbraw/zinc/01/90/82/345019082.db2.gz UJYBHJVFQMWSOL-AWEZNQCLSA-N 1 1 261.365 3.417 20 30 CGEDMO N#Cc1c(Cl)cccc1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000048336242 345064795 /nfs/dbraw/zinc/06/47/95/345064795.db2.gz LZWYBJAWZYMMAB-LLVKDONJSA-N 1 1 275.783 3.108 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](CNc2ccc(Cl)cc2C#N)C1 ZINC000052857586 345108675 /nfs/dbraw/zinc/10/86/75/345108675.db2.gz YXAKEPDJCQOGDZ-GFCCVEGCSA-N 1 1 277.799 3.354 20 30 CGEDMO C=C(C)C[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000063580387 345248873 /nfs/dbraw/zinc/24/88/73/345248873.db2.gz RUCZSTYMGCHNMP-CQSZACIVSA-N 1 1 296.208 3.399 20 30 CGEDMO C=C(C)C[N@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000063580387 345248877 /nfs/dbraw/zinc/24/88/77/345248877.db2.gz RUCZSTYMGCHNMP-CQSZACIVSA-N 1 1 296.208 3.399 20 30 CGEDMO C[N@@H+](CCCC#N)Cc1ccc(OC(F)(F)F)cc1 ZINC000058506691 345196311 /nfs/dbraw/zinc/19/63/11/345196311.db2.gz HPQNHIFFTTVTNN-UHFFFAOYSA-N 1 1 272.270 3.321 20 30 CGEDMO C#CC[N@@H+](Cc1c(C)noc1C)[C@H]1CCc2ccccc21 ZINC000059403840 345207221 /nfs/dbraw/zinc/20/72/21/345207221.db2.gz JHEIZRVWPVRRBZ-SFHVURJKSA-N 1 1 280.371 3.414 20 30 CGEDMO C#CC[N@H+](Cc1c(C)noc1C)[C@H]1CCc2ccccc21 ZINC000059403840 345207222 /nfs/dbraw/zinc/20/72/22/345207222.db2.gz JHEIZRVWPVRRBZ-SFHVURJKSA-N 1 1 280.371 3.414 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000072553346 345412243 /nfs/dbraw/zinc/41/22/43/345412243.db2.gz PBAXWRGBEPZEBI-QGZVFWFLSA-N 1 1 286.419 3.078 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)CCn1nc(C)cc1C ZINC000072692941 345416228 /nfs/dbraw/zinc/41/62/28/345416228.db2.gz RLEHPOYWNXMJAY-UHFFFAOYSA-N 1 1 276.428 3.152 20 30 CGEDMO CCC[C@@H](C)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000075703178 345519634 /nfs/dbraw/zinc/51/96/34/345519634.db2.gz PFZPMEZQQKBFPJ-LLVKDONJSA-N 1 1 293.798 3.271 20 30 CGEDMO C[C@H]1C[NH+](Cc2cn3ccccc3c2C#N)C[C@H](C)S1 ZINC000075891813 345526841 /nfs/dbraw/zinc/52/68/41/345526841.db2.gz NGGNVFMPYWXYOI-STQMWFEESA-N 1 1 285.416 3.137 20 30 CGEDMO CN1CC[N@H+](Cc2ccc(C#N)cc2F)Cc2ccccc21 ZINC000075940484 345528340 /nfs/dbraw/zinc/52/83/40/345528340.db2.gz MGAIXLXFTGCWIJ-UHFFFAOYSA-N 1 1 295.361 3.149 20 30 CGEDMO CN1CC[N@@H+](Cc2ccc(C#N)cc2F)Cc2ccccc21 ZINC000075940484 345528341 /nfs/dbraw/zinc/52/83/41/345528341.db2.gz MGAIXLXFTGCWIJ-UHFFFAOYSA-N 1 1 295.361 3.149 20 30 CGEDMO C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000076149252 345535694 /nfs/dbraw/zinc/53/56/94/345535694.db2.gz ZSAJMYOZBIFSCW-QWHCGFSZSA-N 1 1 296.374 3.229 20 30 CGEDMO Cc1[nH+]ccn1CCCCNc1c(F)cc(C#N)cc1F ZINC000078335960 345601477 /nfs/dbraw/zinc/60/14/77/345601477.db2.gz YCPRGDOTJAEOQJ-UHFFFAOYSA-N 1 1 290.317 3.234 20 30 CGEDMO CCC[N@H+]1CC[C@@H](CNc2ccc(C#N)c(Cl)c2)C1 ZINC000091457738 345814784 /nfs/dbraw/zinc/81/47/84/345814784.db2.gz SYAANUYTPBGDRJ-LBPRGKRZSA-N 1 1 277.799 3.355 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000160983723 232248091 /nfs/dbraw/zinc/24/80/91/232248091.db2.gz LFLCOGMELZIYJS-OKILXGFUSA-N 1 1 258.340 3.319 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+](CC)C[C@@H]1CCCO1 ZINC000092407354 345837810 /nfs/dbraw/zinc/83/78/10/345837810.db2.gz OECAYOGZFORICP-INIZCTEOSA-N 1 1 275.392 3.252 20 30 CGEDMO CC(C)Oc1ncccc1C[NH2+]Cc1cc(C#N)cs1 ZINC000093492377 345881422 /nfs/dbraw/zinc/88/14/22/345881422.db2.gz WBHZSZNUNLYPDF-UHFFFAOYSA-N 1 1 287.388 3.092 20 30 CGEDMO CC(C)[C@@H](CO)[N@@H+](Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000093529886 345883322 /nfs/dbraw/zinc/88/33/22/345883322.db2.gz YIYYHSKXQYJTFQ-GOSISDBHSA-N 1 1 298.386 3.170 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[NH+]2CCC(C)CC2)c1C#N ZINC000124928224 346014832 /nfs/dbraw/zinc/01/48/32/346014832.db2.gz FUKCAIBIOMHNSC-UHFFFAOYSA-N 1 1 294.402 3.284 20 30 CGEDMO C=CCCCN(C)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000125333502 346016502 /nfs/dbraw/zinc/01/65/02/346016502.db2.gz KPUVPIMGPVIVCG-INIZCTEOSA-N 1 1 295.471 3.249 20 30 CGEDMO C=CC[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000139969081 346102296 /nfs/dbraw/zinc/10/22/96/346102296.db2.gz AKKKUCMFVKNPIW-UHFFFAOYSA-N 1 1 287.382 3.277 20 30 CGEDMO C=CCCCCC[N@@H+](C)Cc1nc(CC(C)C)no1 ZINC000150886558 346134462 /nfs/dbraw/zinc/13/44/62/346134462.db2.gz HUSPSCMSQOBTMU-UHFFFAOYSA-N 1 1 265.401 3.446 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1nc(CC(C)C)no1 ZINC000150886558 346134465 /nfs/dbraw/zinc/13/44/65/346134465.db2.gz HUSPSCMSQOBTMU-UHFFFAOYSA-N 1 1 265.401 3.446 20 30 CGEDMO C=CCCCC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000175078690 346247218 /nfs/dbraw/zinc/24/72/18/346247218.db2.gz IKOWLNUQHVRTPJ-HNNXBMFYSA-N 1 1 294.826 3.415 20 30 CGEDMO C[C@@H](C#N)C[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000183817606 346257244 /nfs/dbraw/zinc/25/72/44/346257244.db2.gz GKRMPUVFCDPNDE-JTQLQIEISA-N 1 1 259.740 3.137 20 30 CGEDMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1ccnc(C#N)c1 ZINC000312367841 346476789 /nfs/dbraw/zinc/47/67/89/346476789.db2.gz PFYSYHRWSDXVOP-GFCCVEGCSA-N 1 1 283.297 3.116 20 30 CGEDMO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1cc(C#N)cs1 ZINC000593660238 347100892 /nfs/dbraw/zinc/10/08/92/347100892.db2.gz DONQTTLMSSYWNJ-LBPRGKRZSA-N 1 1 264.394 3.009 20 30 CGEDMO CC[C@H]1COC(C)(C)C[N@H+]1Cc1cc(C#N)cs1 ZINC000593660238 347100897 /nfs/dbraw/zinc/10/08/97/347100897.db2.gz DONQTTLMSSYWNJ-LBPRGKRZSA-N 1 1 264.394 3.009 20 30 CGEDMO C=C(C[NH2+]Cc1ncc(COC)s1)c1ccccc1 ZINC000357419341 346543473 /nfs/dbraw/zinc/54/34/73/346543473.db2.gz JXAJSKSWJCMASB-UHFFFAOYSA-N 1 1 274.389 3.093 20 30 CGEDMO C[N@@H+](CC1(CC#N)CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388364508 346570312 /nfs/dbraw/zinc/57/03/12/346570312.db2.gz MIDGUJCYVBEMTK-SFHVURJKSA-N 1 1 297.446 3.277 20 30 CGEDMO CN(CC1(CC#N)CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388364508 346570317 /nfs/dbraw/zinc/57/03/17/346570317.db2.gz MIDGUJCYVBEMTK-SFHVURJKSA-N 1 1 297.446 3.277 20 30 CGEDMO CN(CC1(CC#N)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388364508 346570318 /nfs/dbraw/zinc/57/03/18/346570318.db2.gz MIDGUJCYVBEMTK-SFHVURJKSA-N 1 1 297.446 3.277 20 30 CGEDMO N#Cc1cccc(C[NH+]2CCC3(CC3(F)F)CC2)c1F ZINC000404897777 346601901 /nfs/dbraw/zinc/60/19/01/346601901.db2.gz OQIWAQOKPTYBCM-UHFFFAOYSA-N 1 1 280.293 3.319 20 30 CGEDMO C[N@@H+]1CCC[C@H]1CCNC1(c2ccc(C#N)cc2)CCC1 ZINC000594033374 347141184 /nfs/dbraw/zinc/14/11/84/347141184.db2.gz OEHQPDXGLDEPSB-KRWDZBQOSA-N 1 1 283.419 3.011 20 30 CGEDMO C[N@H+]1CCC[C@H]1CCNC1(c2ccc(C#N)cc2)CCC1 ZINC000594033374 347141190 /nfs/dbraw/zinc/14/11/90/347141190.db2.gz OEHQPDXGLDEPSB-KRWDZBQOSA-N 1 1 283.419 3.011 20 30 CGEDMO CCC[N@@H+]1Cc2cccc(NC(=O)CCCCC#N)c2C1 ZINC000593970158 347126499 /nfs/dbraw/zinc/12/64/99/347126499.db2.gz OQHMTZHEEIGDQG-UHFFFAOYSA-N 1 1 285.391 3.435 20 30 CGEDMO CCC[N@H+]1Cc2cccc(NC(=O)CCCCC#N)c2C1 ZINC000593970158 347126502 /nfs/dbraw/zinc/12/65/02/347126502.db2.gz OQHMTZHEEIGDQG-UHFFFAOYSA-N 1 1 285.391 3.435 20 30 CGEDMO CSC1(C[N@H+]2Cc3ccc(C#N)cc3C2)CCC1 ZINC000594610914 347202667 /nfs/dbraw/zinc/20/26/67/347202667.db2.gz HNHHCOOSYJMWCR-UHFFFAOYSA-N 1 1 258.390 3.160 20 30 CGEDMO CC(C)(C#N)c1ccc(C[NH2+][C@H]2CCCc3c[nH]nc32)cc1 ZINC000594497227 347179468 /nfs/dbraw/zinc/17/94/68/347179468.db2.gz DXYARKIRDSFAIP-INIZCTEOSA-N 1 1 294.402 3.378 20 30 CGEDMO CC[N@@H+]1CCCC[C@H]1CNCc1ccc(C(C)(C)C#N)cc1 ZINC000594502750 347180820 /nfs/dbraw/zinc/18/08/20/347180820.db2.gz QMZUCGQPYJJKIU-SFHVURJKSA-N 1 1 299.462 3.452 20 30 CGEDMO CC[N@H+]1CCCC[C@H]1CNCc1ccc(C(C)(C)C#N)cc1 ZINC000594502750 347180821 /nfs/dbraw/zinc/18/08/21/347180821.db2.gz QMZUCGQPYJJKIU-SFHVURJKSA-N 1 1 299.462 3.452 20 30 CGEDMO CC(C)(C#N)c1ccc(C[NH2+]Cc2ncccc2F)cc1 ZINC000594505595 347181469 /nfs/dbraw/zinc/18/14/69/347181469.db2.gz VLZYPYOQZMVTLI-UHFFFAOYSA-N 1 1 283.350 3.312 20 30 CGEDMO COC[C@H]([NH2+]Cc1ccc(C2(C#N)CC2)cc1)c1ccco1 ZINC000594942682 347237118 /nfs/dbraw/zinc/23/71/18/347237118.db2.gz YWJVHIZZLCPYRI-INIZCTEOSA-N 1 1 296.370 3.312 20 30 CGEDMO CC(C)(C[NH+]1CCCC1)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594945565 347237483 /nfs/dbraw/zinc/23/74/83/347237483.db2.gz FSSVZWORMOLMRS-UHFFFAOYSA-N 1 1 297.446 3.206 20 30 CGEDMO N#CC1(c2ccc(C[NH2+]Cc3ncccc3F)cc2)CC1 ZINC000594959100 347240839 /nfs/dbraw/zinc/24/08/39/347240839.db2.gz SUGBIRYRWLVJTN-UHFFFAOYSA-N 1 1 281.334 3.066 20 30 CGEDMO N#Cc1ccc(C[NH2+]CC2(C#N)CCCCC2)s1 ZINC000594980861 347248057 /nfs/dbraw/zinc/24/80/57/347248057.db2.gz BWNBAFBVQFCAIS-UHFFFAOYSA-N 1 1 259.378 3.183 20 30 CGEDMO CCn1nc(C)c(C[NH2+]CC2(C#N)CCCCC2)c1C ZINC000594981270 347248390 /nfs/dbraw/zinc/24/83/90/347248390.db2.gz MVHYVEAFCYIQPN-UHFFFAOYSA-N 1 1 274.412 3.084 20 30 CGEDMO COc1ccc(C[N@@H+](C)CCc2ccc(C#N)cc2)cc1 ZINC000595287925 347286390 /nfs/dbraw/zinc/28/63/90/347286390.db2.gz VYZLCNMVXQOVBW-UHFFFAOYSA-N 1 1 280.371 3.241 20 30 CGEDMO C[N@@H+](CCOc1ccccc1)CCc1ccc(C#N)cc1 ZINC000595292129 347287127 /nfs/dbraw/zinc/28/71/27/347287127.db2.gz PQWGEJWVNULAJL-UHFFFAOYSA-N 1 1 280.371 3.112 20 30 CGEDMO CC(C)[N@@H+](C)CC1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000595311780 347290078 /nfs/dbraw/zinc/29/00/78/347290078.db2.gz YDOVELZLWWYZQR-GOSISDBHSA-N 1 1 285.435 3.303 20 30 CGEDMO N#Cc1ccc(CC[N@@H+]2CCC[C@H]2CN2CCCCC2)cc1 ZINC000595307414 347290277 /nfs/dbraw/zinc/29/02/77/347290277.db2.gz VHHLKMHUXCRBLV-IBGZPJMESA-N 1 1 297.446 3.051 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCC[C@H]2CN2CCCCC2)cc1 ZINC000595307414 347290281 /nfs/dbraw/zinc/29/02/81/347290281.db2.gz VHHLKMHUXCRBLV-IBGZPJMESA-N 1 1 297.446 3.051 20 30 CGEDMO N#C[C@H](c1ccccc1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000595326899 347292067 /nfs/dbraw/zinc/29/20/67/347292067.db2.gz AUXRCWAINUMMAG-GOSISDBHSA-N 1 1 283.419 3.202 20 30 CGEDMO C[C@@H]([NH2+]Cc1cc(C2CC2)no1)c1ccc(C#N)cc1 ZINC000595413187 347299109 /nfs/dbraw/zinc/29/91/09/347299109.db2.gz QWYXFDJDQWZBDS-LLVKDONJSA-N 1 1 267.332 3.274 20 30 CGEDMO Cc1cccc(C)c1[C@H]1CCC[N@H+]1CCOCCC#N ZINC000595599726 347323508 /nfs/dbraw/zinc/32/35/08/347323508.db2.gz BCZWDTVNHWFLHQ-MRXNPFEDSA-N 1 1 272.392 3.371 20 30 CGEDMO COc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595623594 347329306 /nfs/dbraw/zinc/32/93/06/347329306.db2.gz UTMSTUSTPLUFBO-GFCCVEGCSA-N 1 1 278.783 3.474 20 30 CGEDMO COc1cc(Cl)ccc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595623594 347329311 /nfs/dbraw/zinc/32/93/11/347329311.db2.gz UTMSTUSTPLUFBO-GFCCVEGCSA-N 1 1 278.783 3.474 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](CC[S@](=O)c2ccccc2)C1 ZINC000595661351 347335575 /nfs/dbraw/zinc/33/55/75/347335575.db2.gz ZGDJINQPJCOREN-BEFAXECRSA-N 1 1 277.433 3.082 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](C(=O)OC)[C@H]2CCCC[C@@H]21 ZINC000595731335 347347651 /nfs/dbraw/zinc/34/76/51/347347651.db2.gz BEVZTBVTSBIMPY-ILXRZTDVSA-N 1 1 265.397 3.006 20 30 CGEDMO C[N@@H+](CCc1ccc(C#N)cc1)CC1(O)CCCCCC1 ZINC000595444933 347304404 /nfs/dbraw/zinc/30/44/04/347304404.db2.gz HAKADRLGKZVWMA-UHFFFAOYSA-N 1 1 286.419 3.118 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCCC[C@@H]2c2cc[nH]n2)cc1 ZINC000595482448 347309925 /nfs/dbraw/zinc/30/99/25/347309925.db2.gz BOSSHNGIVQYKQS-QGZVFWFLSA-N 1 1 280.375 3.051 20 30 CGEDMO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000595809670 347357372 /nfs/dbraw/zinc/35/73/72/347357372.db2.gz IMQDPTOLJOKYMS-VXGBXAGGSA-N 1 1 291.192 3.163 20 30 CGEDMO N#Cc1ccc(Br)c(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000595809670 347357374 /nfs/dbraw/zinc/35/73/74/347357374.db2.gz IMQDPTOLJOKYMS-VXGBXAGGSA-N 1 1 291.192 3.163 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCC[C@@]3(CCSC3)C2)cc1 ZINC000595522588 347315084 /nfs/dbraw/zinc/31/50/84/347315084.db2.gz MUCYWEXEHSUJHE-QGZVFWFLSA-N 1 1 286.444 3.320 20 30 CGEDMO CN(c1ccccc1)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000595826759 347361542 /nfs/dbraw/zinc/36/15/42/347361542.db2.gz OVJOWEVXFPYDQG-IBGZPJMESA-N 1 1 291.398 3.269 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595830150 347362060 /nfs/dbraw/zinc/36/20/60/347362060.db2.gz CDFJVCXXJBLJNZ-GOSISDBHSA-N 1 1 278.355 3.212 20 30 CGEDMO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C3CCC3)C2)cc1 ZINC000595832130 347362795 /nfs/dbraw/zinc/36/27/95/347362795.db2.gz IPXCLQBSNMPTEQ-MRXNPFEDSA-N 1 1 297.402 3.009 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000595833972 347363554 /nfs/dbraw/zinc/36/35/54/347363554.db2.gz JGKJECSTZBCPDV-OAHLLOKOSA-N 1 1 278.783 3.344 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000595833972 347363557 /nfs/dbraw/zinc/36/35/57/347363557.db2.gz JGKJECSTZBCPDV-OAHLLOKOSA-N 1 1 278.783 3.344 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000595836549 347364725 /nfs/dbraw/zinc/36/47/25/347364725.db2.gz ZRFSZRAGNSKBJL-CYBMUJFWSA-N 1 1 268.282 3.441 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000595836549 347364728 /nfs/dbraw/zinc/36/47/28/347364728.db2.gz ZRFSZRAGNSKBJL-CYBMUJFWSA-N 1 1 268.282 3.441 20 30 CGEDMO COc1ccc([C@@H](C)C[N@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000595840377 347365282 /nfs/dbraw/zinc/36/52/82/347365282.db2.gz AJUQKORMSFRNCR-XJKSGUPXSA-N 1 1 258.365 3.034 20 30 CGEDMO CC[C@@H](OCC[N@@H+]1CC[C@](C)(C#N)C1)c1ccccc1 ZINC000595842971 347366671 /nfs/dbraw/zinc/36/66/71/347366671.db2.gz XBIIAVAQUGZFLO-IAGOWNOFSA-N 1 1 272.392 3.390 20 30 CGEDMO CC[C@@H](OCC[N@H+]1CC[C@](C)(C#N)C1)c1ccccc1 ZINC000595842971 347366673 /nfs/dbraw/zinc/36/66/73/347366673.db2.gz XBIIAVAQUGZFLO-IAGOWNOFSA-N 1 1 272.392 3.390 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1ccc(C(=O)OC)o1 ZINC000595845394 347367072 /nfs/dbraw/zinc/36/70/72/347367072.db2.gz NJLCYLUMHXETRW-UPJWGTAASA-N 1 1 275.348 3.310 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](C[C@H]2CCc3ccccc3C2)C1 ZINC000595844567 347367557 /nfs/dbraw/zinc/36/75/57/347367557.db2.gz VBQCKJYEYYPNSF-WMLDXEAASA-N 1 1 254.377 3.027 20 30 CGEDMO COc1ccc(C[N@@H+](C)C[C@H]2CC2(C)C)cc1C#N ZINC000595910153 347371917 /nfs/dbraw/zinc/37/19/17/347371917.db2.gz QUXGUPYKCYZISA-CQSZACIVSA-N 1 1 258.365 3.045 20 30 CGEDMO COCc1csc(C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000597175694 347544252 /nfs/dbraw/zinc/54/42/52/347544252.db2.gz CYQPHAFUBDRQGD-GFCCVEGCSA-N 1 1 264.394 3.020 20 30 CGEDMO C[C@@H](CC#N)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000596824090 347513638 /nfs/dbraw/zinc/51/36/38/347513638.db2.gz HOOXEDJJKZAYIU-CABCVRRESA-N 1 1 299.418 3.407 20 30 CGEDMO CC(C)OCCC[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597007517 347526835 /nfs/dbraw/zinc/52/68/35/347526835.db2.gz CRIMYRDUHHTCLA-UHFFFAOYSA-N 1 1 286.419 3.489 20 30 CGEDMO Cc1[nH+]cc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)n1C ZINC000597025532 347528731 /nfs/dbraw/zinc/52/87/31/347528731.db2.gz BUSIBHDIUHKOQV-ROUUACIJSA-N 1 1 294.402 3.000 20 30 CGEDMO CC(C)[C@@H]1CC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597039243 347530077 /nfs/dbraw/zinc/53/00/77/347530077.db2.gz URLYFDVBAFBXDO-INIZCTEOSA-N 1 1 254.377 3.472 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000597178452 347545249 /nfs/dbraw/zinc/54/52/49/347545249.db2.gz XKTDUEYYRBPQSK-CYBMUJFWSA-N 1 1 253.349 3.294 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000597177521 347545293 /nfs/dbraw/zinc/54/52/93/347545293.db2.gz OCMUTUZMDVGLCF-INIZCTEOSA-N 1 1 284.403 3.180 20 30 CGEDMO C[N@H+](Cc1cc2ccncc2s1)CC(C)(C)C#N ZINC000597136351 347539038 /nfs/dbraw/zinc/53/90/38/347539038.db2.gz VXHUHEDDJUHUGX-UHFFFAOYSA-N 1 1 259.378 3.278 20 30 CGEDMO C[N@@H+](Cc1cc2ccncc2s1)CC(C)(C)C#N ZINC000597136351 347539039 /nfs/dbraw/zinc/53/90/39/347539039.db2.gz VXHUHEDDJUHUGX-UHFFFAOYSA-N 1 1 259.378 3.278 20 30 CGEDMO CCCn1nccc1C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000597162852 347543452 /nfs/dbraw/zinc/54/34/52/347543452.db2.gz ZWLOBVGMJVENMV-AWEZNQCLSA-N 1 1 282.391 3.358 20 30 CGEDMO CCCn1nccc1C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000597162852 347543454 /nfs/dbraw/zinc/54/34/54/347543454.db2.gz ZWLOBVGMJVENMV-AWEZNQCLSA-N 1 1 282.391 3.358 20 30 CGEDMO C[C@@H](CCc1cccc(F)c1)[N@H+]1CC[C@](C)(C#N)C1 ZINC000597232750 347560027 /nfs/dbraw/zinc/56/00/27/347560027.db2.gz WRWDLMWYEVADDB-XJKSGUPXSA-N 1 1 260.356 3.382 20 30 CGEDMO N#CCC1C[NH+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000597194139 347548519 /nfs/dbraw/zinc/54/85/19/347548519.db2.gz ORXPYKCTLGHOBX-UHFFFAOYSA-N 1 1 293.370 3.006 20 30 CGEDMO C[C@H]1C(=O)Nc2ccccc2C[N@H+]1CCCC(C)(C)C#N ZINC000598951110 347700189 /nfs/dbraw/zinc/70/01/89/347700189.db2.gz ZCLCGPJCFWLZNZ-ZDUSSCGKSA-N 1 1 285.391 3.159 20 30 CGEDMO C[C@H]1C(=O)Nc2ccccc2C[N@@H+]1CCCC(C)(C)C#N ZINC000598951110 347700191 /nfs/dbraw/zinc/70/01/91/347700191.db2.gz ZCLCGPJCFWLZNZ-ZDUSSCGKSA-N 1 1 285.391 3.159 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000598585259 347667019 /nfs/dbraw/zinc/66/70/19/347667019.db2.gz BCRGLAOKPMXHCH-HOTGVXAUSA-N 1 1 278.440 3.332 20 30 CGEDMO Cc1ccc([C@H]2CCC[N@H+]2C[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598585004 347667074 /nfs/dbraw/zinc/66/70/74/347667074.db2.gz NHGFKGSLYCLQQB-DLBZAZTESA-N 1 1 286.419 3.433 20 30 CGEDMO Cc1ccc(C[C@H](C)[N@@H+](C)C[C@H](O)CC(C)(C)C#N)cc1 ZINC000598593469 347668629 /nfs/dbraw/zinc/66/86/29/347668629.db2.gz TVVHAFLMZBXBBE-DOTOQJQBSA-N 1 1 288.435 3.159 20 30 CGEDMO C[N@H+](Cc1cc2ccccc2o1)C[C@@H](O)CC(C)(C)C#N ZINC000598595358 347669350 /nfs/dbraw/zinc/66/93/50/347669350.db2.gz NKQQTZJBSIJKPX-AWEZNQCLSA-N 1 1 286.375 3.165 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000598596542 347669409 /nfs/dbraw/zinc/66/94/09/347669409.db2.gz SMZDYLQVMZIZSA-HUUCEWRRSA-N 1 1 292.810 3.388 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1C[C@@H]2CCCC[C@@]21C ZINC000599671830 347763197 /nfs/dbraw/zinc/76/31/97/347763197.db2.gz SDHISAUEVRMFJM-RDJZCZTQSA-N 1 1 270.376 3.331 20 30 CGEDMO C[C@]12CCCC[C@H]1C[N@H+]2Cc1ccc(C#N)c(F)c1 ZINC000599671740 347763440 /nfs/dbraw/zinc/76/34/40/347763440.db2.gz RLVXVYBGBAPHSM-HOCLYGCPSA-N 1 1 258.340 3.462 20 30 CGEDMO N#CCc1cccc2c1CC[N@@H+](CC[C@H]1CCCCO1)C2 ZINC000599677537 347763952 /nfs/dbraw/zinc/76/39/52/347763952.db2.gz KYYPGWVTFRCTRS-QGZVFWFLSA-N 1 1 284.403 3.070 20 30 CGEDMO N#CCc1cccc2c1CC[N@@H+](Cc1ccc(C#N)cc1)C2 ZINC000599674718 347764340 /nfs/dbraw/zinc/76/43/40/347764340.db2.gz BVHRHMFUKZRGLF-UHFFFAOYSA-N 1 1 287.366 3.183 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679875 347765188 /nfs/dbraw/zinc/76/51/88/347765188.db2.gz YXMQLRPHGLYCJH-UHFFFAOYSA-N 1 1 281.403 3.441 20 30 CGEDMO CC/C=C\CC[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677923 347765322 /nfs/dbraw/zinc/76/53/22/347765322.db2.gz MTHVDVNXVYKPEY-ARJAWSKDSA-N 1 1 254.377 3.467 20 30 CGEDMO C/C=C/C[C@@H]1CCC[N@@H+](CCCSCC#N)C1 ZINC000599692440 347766889 /nfs/dbraw/zinc/76/68/89/347766889.db2.gz WVJMPGMFNNMTOZ-BAABZTOOSA-N 1 1 252.427 3.311 20 30 CGEDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1ccc(C)c(C#N)c1 ZINC000599310763 347734534 /nfs/dbraw/zinc/73/45/34/347734534.db2.gz BZKAXKAUXMZULW-GOSISDBHSA-N 1 1 294.402 3.246 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@@H]2C2CCOCC2)cc1C#N ZINC000599354022 347738926 /nfs/dbraw/zinc/73/89/26/347738926.db2.gz RYUTZCSEUWCRCV-GOSISDBHSA-N 1 1 284.403 3.258 20 30 CGEDMO Cc1ccc(C[N@H+]2CCOCC3(CCCC3)C2)cc1C#N ZINC000599372099 347740270 /nfs/dbraw/zinc/74/02/70/347740270.db2.gz XMUVYAKEFPSLKB-UHFFFAOYSA-N 1 1 284.403 3.259 20 30 CGEDMO Cc1ccc(C[N@@H+](C)Cc2cnc(C(C)C)nc2)cc1C#N ZINC000599397435 347742422 /nfs/dbraw/zinc/74/24/22/347742422.db2.gz JSPNGLCSTQLGBG-UHFFFAOYSA-N 1 1 294.402 3.412 20 30 CGEDMO Cc1ccc(C[N@H+](C)Cc2cnc(C(C)C)nc2)cc1C#N ZINC000599397435 347742424 /nfs/dbraw/zinc/74/24/24/347742424.db2.gz JSPNGLCSTQLGBG-UHFFFAOYSA-N 1 1 294.402 3.412 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)cc1C#N ZINC000599453649 347746793 /nfs/dbraw/zinc/74/67/93/347746793.db2.gz WZWZWLFCIGGOFJ-CQSZACIVSA-N 1 1 262.303 3.098 20 30 CGEDMO Cc1ccc(C[N@H+]2Cc3c[nH]nc3CC(C)(C)C2)cc1C#N ZINC000599476921 347747449 /nfs/dbraw/zinc/74/74/49/347747449.db2.gz PXYLMGNLNXLQPW-UHFFFAOYSA-N 1 1 294.402 3.174 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H](C)C1(F)F ZINC000599515819 347750060 /nfs/dbraw/zinc/75/00/60/347750060.db2.gz VDOYAIHDJZIJAS-AOOOYVTPSA-N 1 1 270.348 3.343 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CC(C)(C)CCC1(C)C ZINC000599537627 347752358 /nfs/dbraw/zinc/75/23/58/347752358.db2.gz HIEXXJZHKDCJLY-ZDUSSCGKSA-N 1 1 266.429 3.188 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599553697 347754366 /nfs/dbraw/zinc/75/43/66/347754366.db2.gz YWXLTRSHKJJPRH-CABCVRRESA-N 1 1 288.416 3.037 20 30 CGEDMO CC1(C)[C@H](c2ccc(F)cc2)CC[N@H+]1CCOCCC#N ZINC000599621077 347758653 /nfs/dbraw/zinc/75/86/53/347758653.db2.gz ARRIVULXHIQSDW-INIZCTEOSA-N 1 1 290.382 3.324 20 30 CGEDMO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000599624152 347758881 /nfs/dbraw/zinc/75/88/81/347758881.db2.gz SOVCGOWDDLWTGJ-SNVBAGLBSA-N 1 1 268.282 3.317 20 30 CGEDMO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC000599624152 347758883 /nfs/dbraw/zinc/75/88/83/347758883.db2.gz SOVCGOWDDLWTGJ-SNVBAGLBSA-N 1 1 268.282 3.317 20 30 CGEDMO Cc1cc(C)c(C[S@@](=O)Cc2ccc(C#N)cc2)c(C)[nH+]1 ZINC000600935760 347847588 /nfs/dbraw/zinc/84/75/88/347847588.db2.gz QRGGTJMRZXXTRP-NRFANRHFSA-N 1 1 298.411 3.327 20 30 CGEDMO N#Cc1c(F)cccc1C[NH2+][C@@H]1CCCC[C@H]1F ZINC000602020674 347934327 /nfs/dbraw/zinc/93/43/27/347934327.db2.gz RETPPSYNERTKSK-ZIAGYGMSSA-N 1 1 250.292 3.068 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(C#N)n1 ZINC000602440252 347958368 /nfs/dbraw/zinc/95/83/68/347958368.db2.gz OZWOKJCDSYKNIU-UHFFFAOYSA-N 1 1 290.370 3.236 20 30 CGEDMO CO[C@@](C)(C[N@@H+](Cc1ccc(C#N)cc1)C1CC1)C1CC1 ZINC000602442046 347959456 /nfs/dbraw/zinc/95/94/56/347959456.db2.gz RYKYEIGWHZXOOM-SFHVURJKSA-N 1 1 284.403 3.338 20 30 CGEDMO C[C@H](C#N)C[N@H+](C)Cc1ccc(CC(F)(F)F)cc1 ZINC000602447289 347960129 /nfs/dbraw/zinc/96/01/29/347960129.db2.gz MJNRZXOBUZCOAT-LLVKDONJSA-N 1 1 270.298 3.383 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C)Cc1ccc(CC(F)(F)F)cc1 ZINC000602447289 347960131 /nfs/dbraw/zinc/96/01/31/347960131.db2.gz MJNRZXOBUZCOAT-LLVKDONJSA-N 1 1 270.298 3.383 20 30 CGEDMO C[C@H]1c2ccccc2CC[N@H+]1Cc1cccc(C#N)n1 ZINC000602461313 347962154 /nfs/dbraw/zinc/96/21/54/347962154.db2.gz JPCJAAUUJXDVMC-ZDUSSCGKSA-N 1 1 263.344 3.073 20 30 CGEDMO C[C@H]1c2ccccc2CC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602461313 347962156 /nfs/dbraw/zinc/96/21/56/347962156.db2.gz JPCJAAUUJXDVMC-ZDUSSCGKSA-N 1 1 263.344 3.073 20 30 CGEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)C[C@@H](C)CCC#N ZINC000602464271 347962191 /nfs/dbraw/zinc/96/21/91/347962191.db2.gz LKVQAWDXZGVKRM-LSDHHAIUSA-N 1 1 274.408 3.498 20 30 CGEDMO C[C@@H]1c2ccccc2CC[N@H+]1Cc1cccc(C#N)n1 ZINC000602461312 347962286 /nfs/dbraw/zinc/96/22/86/347962286.db2.gz JPCJAAUUJXDVMC-CYBMUJFWSA-N 1 1 263.344 3.073 20 30 CGEDMO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602461312 347962287 /nfs/dbraw/zinc/96/22/87/347962287.db2.gz JPCJAAUUJXDVMC-CYBMUJFWSA-N 1 1 263.344 3.073 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@]3(CC=CCC3)C2)n1 ZINC000602472181 347963870 /nfs/dbraw/zinc/96/38/70/347963870.db2.gz OWLHQIHLIHBZLA-QGZVFWFLSA-N 1 1 267.376 3.276 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000602468421 347964367 /nfs/dbraw/zinc/96/43/67/347964367.db2.gz NSIDBUZXWCRQGZ-PKOBYXMFSA-N 1 1 299.462 3.380 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000602468421 347964368 /nfs/dbraw/zinc/96/43/68/347964368.db2.gz NSIDBUZXWCRQGZ-PKOBYXMFSA-N 1 1 299.462 3.380 20 30 CGEDMO C[C@@H](C#N)C[N@H+](Cc1cccc2ncccc12)C1CC1 ZINC000602482020 347966809 /nfs/dbraw/zinc/96/68/09/347966809.db2.gz FAQMBDVOAWGDOO-ZDUSSCGKSA-N 1 1 265.360 3.359 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](Cc1cccc2ncccc12)C1CC1 ZINC000602482020 347966812 /nfs/dbraw/zinc/96/68/12/347966812.db2.gz FAQMBDVOAWGDOO-ZDUSSCGKSA-N 1 1 265.360 3.359 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000602486170 347967751 /nfs/dbraw/zinc/96/77/51/347967751.db2.gz PRVFWFBWYIKIIH-CYBMUJFWSA-N 1 1 267.376 3.466 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000602486170 347967752 /nfs/dbraw/zinc/96/77/52/347967752.db2.gz PRVFWFBWYIKIIH-CYBMUJFWSA-N 1 1 267.376 3.466 20 30 CGEDMO N#CCC1(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)CC1 ZINC000602782349 348027914 /nfs/dbraw/zinc/02/79/14/348027914.db2.gz MGVACIUKPOEPLB-OAHLLOKOSA-N 1 1 262.397 3.104 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000602623229 347996213 /nfs/dbraw/zinc/99/62/13/347996213.db2.gz WLVXTQMBBSKLJC-YJBOKZPZSA-N 1 1 284.403 3.448 20 30 CGEDMO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602631108 347996798 /nfs/dbraw/zinc/99/67/98/347996798.db2.gz QTDCHXCGUKDHPN-LBPRGKRZSA-N 1 1 283.297 3.116 20 30 CGEDMO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1Cc1cccc(C#N)n1 ZINC000602631108 347996803 /nfs/dbraw/zinc/99/68/03/347996803.db2.gz QTDCHXCGUKDHPN-LBPRGKRZSA-N 1 1 283.297 3.116 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000602639071 347998494 /nfs/dbraw/zinc/99/84/94/347998494.db2.gz ZHCULPLYMCHFEA-KGLIPLIRSA-N 1 1 291.370 3.004 20 30 CGEDMO Cc1cccc([C@@H]2CCC[N@H+]2CC2(CC#N)CC2)n1 ZINC000602784762 348028447 /nfs/dbraw/zinc/02/84/47/348028447.db2.gz KBEMRZJRWUCLLL-HNNXBMFYSA-N 1 1 255.365 3.221 20 30 CGEDMO CCn1ccnc1[C@H]1CCCC[N@H+]1C[C@@H](C)CCC#N ZINC000602644071 347999925 /nfs/dbraw/zinc/99/99/25/347999925.db2.gz UNWFVRAWHLLPCH-LSDHHAIUSA-N 1 1 274.412 3.370 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2cc(C3CC3)no2)cc1Cl ZINC000602656620 348002265 /nfs/dbraw/zinc/00/22/65/348002265.db2.gz CIDOISJAYJOISB-UHFFFAOYSA-N 1 1 287.750 3.367 20 30 CGEDMO N#Cc1cccc(C[NH2+][C@H]2CCCc3c(F)cc(F)cc32)n1 ZINC000602674292 348006767 /nfs/dbraw/zinc/00/67/67/348006767.db2.gz XGDDQMCWJPNXHE-KRWDZBQOSA-N 1 1 299.324 3.399 20 30 CGEDMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602686783 348009160 /nfs/dbraw/zinc/00/91/60/348009160.db2.gz DQSUPOUMXGYSGF-CYBMUJFWSA-N 1 1 283.350 3.155 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000602702045 348012614 /nfs/dbraw/zinc/01/26/14/348012614.db2.gz NAGRDCQJQKZGCN-RBSFLKMASA-N 1 1 294.439 3.226 20 30 CGEDMO C=C(C)C[C@H]([NH2+][C@@H](C)CCCC(F)(F)F)C(=O)OC ZINC000602733989 348021221 /nfs/dbraw/zinc/02/12/21/348021221.db2.gz MCGKJJHLAJTEAV-QWRGUYRKSA-N 1 1 281.318 3.205 20 30 CGEDMO CC[C@H]([NH2+]Cc1cccc(C#N)n1)c1cc(F)ccc1F ZINC000602551171 347980648 /nfs/dbraw/zinc/98/06/48/347980648.db2.gz NACLTBJELAWPSC-INIZCTEOSA-N 1 1 287.313 3.472 20 30 CGEDMO N#CCC1(C[N@@H+]2CCO[C@H](CCc3ccccc3)C2)CC1 ZINC000602809832 348032097 /nfs/dbraw/zinc/03/20/97/348032097.db2.gz QNFLEWIFEXDMEH-QGZVFWFLSA-N 1 1 284.403 3.014 20 30 CGEDMO N#CCC1(C[N@H+]2CCO[C@H](CCc3ccccc3)C2)CC1 ZINC000602809832 348032100 /nfs/dbraw/zinc/03/21/00/348032100.db2.gz QNFLEWIFEXDMEH-QGZVFWFLSA-N 1 1 284.403 3.014 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC1(CC#N)CC1 ZINC000602845586 348036403 /nfs/dbraw/zinc/03/64/03/348036403.db2.gz KUWKCXQTFUFWJV-CYBMUJFWSA-N 1 1 253.349 3.245 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000602886073 348041076 /nfs/dbraw/zinc/04/10/76/348041076.db2.gz GGUCOEZXYQXANT-AWEZNQCLSA-N 1 1 292.386 3.142 20 30 CGEDMO N#CCC1(C[NH2+][C@@H](C(F)F)C2CCCCC2)CC1 ZINC000602910635 348043369 /nfs/dbraw/zinc/04/33/69/348043369.db2.gz BIUDMVZCKAGELY-GFCCVEGCSA-N 1 1 256.340 3.484 20 30 CGEDMO CC1(C)C[N@@H+](CCCSCC#N)[C@H]1c1ccco1 ZINC000602928562 348045924 /nfs/dbraw/zinc/04/59/24/348045924.db2.gz ZVAJGBYBDPGGET-ZDUSSCGKSA-N 1 1 264.394 3.309 20 30 CGEDMO COc1ccccc1CCC[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602980404 348050514 /nfs/dbraw/zinc/05/05/14/348050514.db2.gz PUHQLUNODFLSNX-JKSUJKDBSA-N 1 1 272.392 3.252 20 30 CGEDMO N#CC1(CC[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)CCCCC1 ZINC000602997375 348053036 /nfs/dbraw/zinc/05/30/36/348053036.db2.gz IRGRXVWEWXBDGK-IKGGRYGDSA-N 1 1 290.451 3.476 20 30 CGEDMO COc1ccc(CCC[N@@H+](C)Cc2ccnc(C#N)c2)cc1 ZINC000610991268 348413871 /nfs/dbraw/zinc/41/38/71/348413871.db2.gz BYYRFSQVMYDUQH-UHFFFAOYSA-N 1 1 295.386 3.026 20 30 CGEDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610994684 348416109 /nfs/dbraw/zinc/41/61/09/348416109.db2.gz MXYRGNGNXLRMMC-KDOFPFPSSA-N 1 1 277.371 3.331 20 30 CGEDMO N#Cc1cc(C[N@@H+](Cc2ccc(F)cc2)C2CC2)ccn1 ZINC000610995350 348417060 /nfs/dbraw/zinc/41/70/60/348417060.db2.gz WJWBYTBPLGCSKX-UHFFFAOYSA-N 1 1 281.334 3.257 20 30 CGEDMO N#Cc1cc(C[N@H+](Cc2ccc(F)cc2)C2CC2)ccn1 ZINC000610995350 348417063 /nfs/dbraw/zinc/41/70/63/348417063.db2.gz WJWBYTBPLGCSKX-UHFFFAOYSA-N 1 1 281.334 3.257 20 30 CGEDMO Cc1cc(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)ccc1C#N ZINC000351968483 219268978 /nfs/dbraw/zinc/26/89/78/219268978.db2.gz QSGAROBIFXTZQV-IRXDYDNUSA-N 1 1 284.403 3.256 20 30 CGEDMO N#Cc1csc(C[N@H+]2CC[C@@H](c3ccco3)C2)c1 ZINC000611271250 348434411 /nfs/dbraw/zinc/43/44/11/348434411.db2.gz AYMCMFAOTIQGNY-GFCCVEGCSA-N 1 1 258.346 3.202 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000611390990 348444274 /nfs/dbraw/zinc/44/42/74/348444274.db2.gz YZVQOPIMAKNVBF-BEFAXECRSA-N 1 1 295.430 3.010 20 30 CGEDMO C[C@@H]1CC[N@@H+](CCCOc2cccc(C#N)c2)C[C@@H]1F ZINC000611501472 348456428 /nfs/dbraw/zinc/45/64/28/348456428.db2.gz CMAXFVLHJQXMSE-CJNGLKHVSA-N 1 1 276.355 3.007 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CC[C@@H](c3ccco3)C2)cc1 ZINC000612075391 348490917 /nfs/dbraw/zinc/49/09/17/348490917.db2.gz OBYCSZKGBKSFKK-MRXNPFEDSA-N 1 1 266.344 3.335 20 30 CGEDMO C[C@]1(C#N)CCC[N@H+](CCSc2ccccc2)C1 ZINC000612161464 348497989 /nfs/dbraw/zinc/49/79/89/348497989.db2.gz TWFPMQUIWDYSBO-OAHLLOKOSA-N 1 1 260.406 3.404 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](CCSc2ccccc2)C1 ZINC000612161464 348497992 /nfs/dbraw/zinc/49/79/92/348497992.db2.gz TWFPMQUIWDYSBO-OAHLLOKOSA-N 1 1 260.406 3.404 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1ccccc1OCc1ccncc1 ZINC000612585357 348530553 /nfs/dbraw/zinc/53/05/53/348530553.db2.gz ZEVAKMKZOUKIRS-UHFFFAOYSA-N 1 1 295.386 3.300 20 30 CGEDMO C[C@@H]1C[C@@H](Nc2nc(C(C)(C)C)ccc2C#N)C[N@H+]1C1CC1 ZINC000613427165 348601079 /nfs/dbraw/zinc/60/10/79/348601079.db2.gz SCKSCDKGNYMDTF-TZMCWYRMSA-N 1 1 298.434 3.288 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@H](C)O1 ZINC000614160095 348653697 /nfs/dbraw/zinc/65/36/97/348653697.db2.gz CQXCYIVZQAUNNV-OKILXGFUSA-N 1 1 272.392 3.097 20 30 CGEDMO CC[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@H](C)O1 ZINC000614166958 348654541 /nfs/dbraw/zinc/65/45/41/348654541.db2.gz PYYXADWZTWEZQC-WMLDXEAASA-N 1 1 286.419 3.487 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC3(C2)CCOCC3)cc1 ZINC000614168894 348654607 /nfs/dbraw/zinc/65/46/07/348654607.db2.gz DOCOLCAWJAENNW-UHFFFAOYSA-N 1 1 298.430 3.490 20 30 CGEDMO C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614176123 348655265 /nfs/dbraw/zinc/65/52/65/348655265.db2.gz HCVVIBHOZDHUJZ-GDBMZVCRSA-N 1 1 286.419 3.081 20 30 CGEDMO C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614177398 348655421 /nfs/dbraw/zinc/65/54/21/348655421.db2.gz MHGBBWUHZPXSLX-RHSMWYFYSA-N 1 1 286.419 3.223 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccccc1C#N)c1ccc([S@](C)=O)cc1 ZINC000339501610 215214162 /nfs/dbraw/zinc/21/41/62/215214162.db2.gz JLAFMFLBIRFBIR-ASSNKEHSSA-N 1 1 298.411 3.146 20 30 CGEDMO CC[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1cccc([N+](=O)[O-])c1 ZINC000615092252 348713253 /nfs/dbraw/zinc/71/32/53/348713253.db2.gz QNXPMOCTWZVJDR-MRXNPFEDSA-N 1 1 296.330 3.102 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](C(F)F)C2)c(Cl)c1 ZINC000615227000 348724919 /nfs/dbraw/zinc/72/49/19/348724919.db2.gz LYVKPBKZNZMDNW-NSHDSACASA-N 1 1 270.710 3.299 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](C(F)F)C2)c(Cl)c1 ZINC000615227000 348724923 /nfs/dbraw/zinc/72/49/23/348724923.db2.gz LYVKPBKZNZMDNW-NSHDSACASA-N 1 1 270.710 3.299 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000614403126 348673708 /nfs/dbraw/zinc/67/37/08/348673708.db2.gz GDLHYWUUZRGQCO-MSOLQXFVSA-N 1 1 284.403 3.115 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCc2ccc(O)cc2CC1 ZINC000614401893 348674119 /nfs/dbraw/zinc/67/41/19/348674119.db2.gz OFMUYDJCJVQVSJ-UHFFFAOYSA-N 1 1 292.382 3.173 20 30 CGEDMO CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000614923893 348700178 /nfs/dbraw/zinc/70/01/78/348700178.db2.gz GJEYPPFMTQJETK-AWEZNQCLSA-N 1 1 298.308 3.102 20 30 CGEDMO CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000614923893 348700180 /nfs/dbraw/zinc/70/01/80/348700180.db2.gz GJEYPPFMTQJETK-AWEZNQCLSA-N 1 1 298.308 3.102 20 30 CGEDMO C=CC[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000617782956 349011501 /nfs/dbraw/zinc/01/15/01/349011501.db2.gz PVPUHSOBFJLMFE-WBVHZDCISA-N 1 1 286.419 3.104 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000618304558 349067795 /nfs/dbraw/zinc/06/77/95/349067795.db2.gz PFDMOZUPUBZBPD-LBPRGKRZSA-N 1 1 274.355 3.410 20 30 CGEDMO Cc1cc(C[N@H+](C)[C@@H]2CCCc3c2cnn3C)ccc1C#N ZINC000618594244 349115804 /nfs/dbraw/zinc/11/58/04/349115804.db2.gz VYMOIEIIKPROCR-QGZVFWFLSA-N 1 1 294.402 3.110 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000618666237 349136752 /nfs/dbraw/zinc/13/67/52/349136752.db2.gz XKMHJLGVDHMJKQ-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CCC1 ZINC000618669143 349137970 /nfs/dbraw/zinc/13/79/70/349137970.db2.gz GBOFEPQKSPPZRS-OAHLLOKOSA-N 1 1 290.451 3.256 20 30 CGEDMO CC[N@H+]1CC[C@H](NCc2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000619755564 349282439 /nfs/dbraw/zinc/28/24/39/349282439.db2.gz ZRYAYFFEUVKADC-LRDDRELGSA-N 1 1 291.826 3.032 20 30 CGEDMO CCN1CC[C@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000619755564 349282447 /nfs/dbraw/zinc/28/24/47/349282447.db2.gz ZRYAYFFEUVKADC-LRDDRELGSA-N 1 1 291.826 3.032 20 30 CGEDMO C=CCCCCCNC(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000624307428 350021625 /nfs/dbraw/zinc/02/16/25/350021625.db2.gz JQYCOCLKDVLLBW-MRXNPFEDSA-N 1 1 293.455 3.049 20 30 CGEDMO C=CCCCCCNC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000624307427 350021664 /nfs/dbraw/zinc/02/16/64/350021664.db2.gz JQYCOCLKDVLLBW-INIZCTEOSA-N 1 1 293.455 3.049 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1ccc(Cl)c(F)c1)C1CC1 ZINC000625282010 350152695 /nfs/dbraw/zinc/15/26/95/350152695.db2.gz KKRXHPBAKWRMRZ-UHFFFAOYSA-N 1 1 282.746 3.068 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1ccc(Cl)c(F)c1)C1CC1 ZINC000625282010 350152698 /nfs/dbraw/zinc/15/26/98/350152698.db2.gz KKRXHPBAKWRMRZ-UHFFFAOYSA-N 1 1 282.746 3.068 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000625699618 350197150 /nfs/dbraw/zinc/19/71/50/350197150.db2.gz BCKPWSZISFANJK-CYBMUJFWSA-N 1 1 268.360 3.338 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(Br)cn2)C1 ZINC000625701394 350198955 /nfs/dbraw/zinc/19/89/55/350198955.db2.gz QYJXUYOGYBBOBV-LLVKDONJSA-N 1 1 281.197 3.242 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CC/C=C/c2cncc(OC)c2)C1 ZINC000625702656 350199283 /nfs/dbraw/zinc/19/92/83/350199283.db2.gz OEQLHVCHEMQMEK-NFBGWVBBSA-N 1 1 272.392 3.392 20 30 CGEDMO C=CCCCCC[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000625966251 350237178 /nfs/dbraw/zinc/23/71/78/350237178.db2.gz AJRANHAKTPESRT-UHFFFAOYSA-N 1 1 271.408 3.459 20 30 CGEDMO C=CC(C)(C)CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000628315594 350497041 /nfs/dbraw/zinc/49/70/41/350497041.db2.gz QAGMIEAUOPBWIF-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2c(F)cncc2Br)C1 ZINC000628406302 350529302 /nfs/dbraw/zinc/52/93/02/350529302.db2.gz HFBYUYYBQCEPMW-JTQLQIEISA-N 1 1 299.187 3.381 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2c(F)cncc2Br)C1 ZINC000628406302 350529304 /nfs/dbraw/zinc/52/93/04/350529304.db2.gz HFBYUYYBQCEPMW-JTQLQIEISA-N 1 1 299.187 3.381 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(OC)c(OC)c(OC)c2)C1 ZINC000628405741 350529594 /nfs/dbraw/zinc/52/95/94/350529594.db2.gz SXBMZAYMIJZAFS-CYBMUJFWSA-N 1 1 291.391 3.110 20 30 CGEDMO C=C1CC(C)(C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000631818666 351148323 /nfs/dbraw/zinc/14/83/23/351148323.db2.gz TYTVCQXGQNAEFV-QGZVFWFLSA-N 1 1 298.430 3.076 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000122464833 187033538 /nfs/dbraw/zinc/03/35/38/187033538.db2.gz OKLIOWDNTOTFJP-MJGOQNOKSA-N 1 1 296.414 3.220 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000123429739 187091570 /nfs/dbraw/zinc/09/15/70/187091570.db2.gz NPOPXPWAZCSGEX-PHIMTYICSA-N 1 1 291.782 3.023 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2)o1 ZINC000123651331 187103058 /nfs/dbraw/zinc/10/30/58/187103058.db2.gz OLILZYIWYWFGLU-MRXNPFEDSA-N 1 1 252.317 3.488 20 30 CGEDMO C=C(C)CN1CCC([NH2+][C@H](C)c2ccc(C)o2)CC1 ZINC000153044081 188061297 /nfs/dbraw/zinc/06/12/97/188061297.db2.gz ZNWMGAHTIYWRHV-CQSZACIVSA-N 1 1 262.397 3.279 20 30 CGEDMO N#Cc1ccc(C[N@@H+](CCC2CCOCC2)C2CC2)cc1 ZINC000292479512 198303643 /nfs/dbraw/zinc/30/36/43/198303643.db2.gz AKVNYFSSPIQKCW-UHFFFAOYSA-N 1 1 284.403 3.339 20 30 CGEDMO C=CC[NH+](CC=C)[C@@H](CN[C@H](C)c1ccccn1)C(C)C ZINC000158609626 188385484 /nfs/dbraw/zinc/38/54/84/188385484.db2.gz FBOCNVPDMFQLGS-AEFFLSMTSA-N 1 1 287.451 3.431 20 30 CGEDMO C#CC[C@H]([NH2+]C1CCN(CCC)CC1)c1ccccc1 ZINC000271712132 191287040 /nfs/dbraw/zinc/28/70/40/191287040.db2.gz OOTSHMZBYMVFOQ-SFHVURJKSA-N 1 1 270.420 3.215 20 30 CGEDMO C[C@@H]1CC[C@@]2(CC[N@H+](Cc3nc(C#N)cs3)C2)C1 ZINC000336401577 213259380 /nfs/dbraw/zinc/25/93/80/213259380.db2.gz TXSBNNWYCMSIDP-BXUZGUMPSA-N 1 1 261.394 3.027 20 30 CGEDMO C[C@@H]1CC[C@@]2(CC[N@@H+](Cc3nc(C#N)cs3)C2)C1 ZINC000336401577 213259384 /nfs/dbraw/zinc/25/93/84/213259384.db2.gz TXSBNNWYCMSIDP-BXUZGUMPSA-N 1 1 261.394 3.027 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@@H+]2CCc3c(F)cc(F)cc3C2)C1 ZINC000336520987 283058074 /nfs/dbraw/zinc/05/80/74/283058074.db2.gz YPPUPMLWZCZSBJ-ZWNOBZJWSA-N 1 1 262.303 3.015 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCc3c(F)cc(F)cc3C2)C1 ZINC000336520987 283058077 /nfs/dbraw/zinc/05/80/77/283058077.db2.gz YPPUPMLWZCZSBJ-ZWNOBZJWSA-N 1 1 262.303 3.015 20 30 CGEDMO C[C@@H]1CC(C)(C)C[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000412031791 235107646 /nfs/dbraw/zinc/10/76/46/235107646.db2.gz BDFSTSQLEKVBDJ-CYBMUJFWSA-N 1 1 285.391 3.007 20 30 CGEDMO Cc1cc(C#N)cc(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000412408594 235166033 /nfs/dbraw/zinc/16/60/33/235166033.db2.gz KSSMJKRPNZFPFA-INIZCTEOSA-N 1 1 285.391 3.070 20 30 CGEDMO C[C@@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1cccc(C#N)c1 ZINC000271885164 191389814 /nfs/dbraw/zinc/38/98/14/191389814.db2.gz QMJZLSYTEUJDRN-IAQYHMDHSA-N 1 1 266.348 3.010 20 30 CGEDMO CCC[N@@H+](CC(C)C)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000411202980 283148275 /nfs/dbraw/zinc/14/82/75/283148275.db2.gz POWQWBMMAQNDEG-INIZCTEOSA-N 1 1 288.391 3.140 20 30 CGEDMO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1COc3ccc(F)cc31)CC2 ZINC000353648344 283199168 /nfs/dbraw/zinc/19/91/68/283199168.db2.gz YTVMQMDWUDGLCP-IAGOWNOFSA-N 1 1 294.329 3.408 20 30 CGEDMO CCC[C@H]1CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000093704731 138347910 /nfs/dbraw/zinc/34/79/10/138347910.db2.gz ZKYHURRUUPCCQD-AWEZNQCLSA-N 1 1 282.391 3.218 20 30 CGEDMO N#Cc1cnccc1N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000364912027 283244564 /nfs/dbraw/zinc/24/45/64/283244564.db2.gz ZTHBXUHOIOGMAH-UHFFFAOYSA-N 1 1 298.434 3.046 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)nc1 ZINC000425541624 236258958 /nfs/dbraw/zinc/25/89/58/236258958.db2.gz XBOOMZBNRCTIHZ-ZDUSSCGKSA-N 1 1 281.359 3.155 20 30 CGEDMO Cc1cc(NCCCC[N@@H+]2CCC[C@@H](C)C2)cc(C#N)n1 ZINC000341526701 216001853 /nfs/dbraw/zinc/00/18/53/216001853.db2.gz NDFNXRCLEKXUOW-CQSZACIVSA-N 1 1 286.423 3.186 20 30 CGEDMO CCC[N@@H+](C)C[C@@H]1CCN(c2cccc(Cl)c2C#N)C1 ZINC000297280758 200133276 /nfs/dbraw/zinc/13/32/76/200133276.db2.gz XINQFRVGPWFDMA-ZDUSSCGKSA-N 1 1 291.826 3.380 20 30 CGEDMO COc1ccc(C2([NH2+]Cc3ccc(C#N)cc3F)CC2)cc1 ZINC000341659688 216053705 /nfs/dbraw/zinc/05/37/05/216053705.db2.gz PQGVRSHEHWMCGU-UHFFFAOYSA-N 1 1 296.345 3.485 20 30 CGEDMO C=CC[NH+]1CCC(N[C@@H](C)c2ccc(OC)cc2F)CC1 ZINC000177905415 189078610 /nfs/dbraw/zinc/07/86/10/189078610.db2.gz SHMVMWJYZVYFKS-ZDUSSCGKSA-N 1 1 292.398 3.135 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)c(Cl)c1 ZINC000342026757 216193080 /nfs/dbraw/zinc/19/30/80/216193080.db2.gz VGFITIDYFWPXBT-CVEARBPZSA-N 1 1 290.794 3.355 20 30 CGEDMO C[C@@]1(CCCO)CCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000439436598 238255543 /nfs/dbraw/zinc/25/55/43/238255543.db2.gz IMVJOHBRWNLKNP-INIZCTEOSA-N 1 1 292.810 3.339 20 30 CGEDMO CCC[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC000181039965 189286806 /nfs/dbraw/zinc/28/68/06/189286806.db2.gz IJTVEWKEDVRMMZ-UHFFFAOYSA-N 1 1 267.170 3.163 20 30 CGEDMO COC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccco1 ZINC000181848931 189308267 /nfs/dbraw/zinc/30/82/67/189308267.db2.gz RUSYNGBLAHRBJY-IUODEOHRSA-N 1 1 270.332 3.190 20 30 CGEDMO CC[N@@H+](CCC(C)(C)C#N)Cc1ccc(OC)cc1 ZINC000119601138 370689876 /nfs/dbraw/zinc/68/98/76/370689876.db2.gz YXEYIKPUNMJZRQ-UHFFFAOYSA-N 1 1 260.381 3.457 20 30 CGEDMO C[C@@H]1C[C@@H](N(C)Cc2ccc(C#N)cc2Cl)CC[N@H+]1C ZINC000335677964 212398336 /nfs/dbraw/zinc/39/83/36/212398336.db2.gz WYHGDTJNFQOGTP-DOMZBBRYSA-N 1 1 291.826 3.126 20 30 CGEDMO CC1(C)C[N@H+](Cc2cc(C#N)cs2)[C@H]1[C@@H]1CCCO1 ZINC000335657315 212375416 /nfs/dbraw/zinc/37/54/16/212375416.db2.gz XMWCEZHQYWHXDY-KBPBESRZSA-N 1 1 276.405 3.009 20 30 CGEDMO CC1(C)C[N@@H+](Cc2cc(C#N)cs2)[C@H]1[C@@H]1CCCO1 ZINC000335657315 212375418 /nfs/dbraw/zinc/37/54/18/212375418.db2.gz XMWCEZHQYWHXDY-KBPBESRZSA-N 1 1 276.405 3.009 20 30 CGEDMO C[C@@H]1Cc2[nH+]cn(Cc3cccc(F)c3C#N)c2C[C@H]1C ZINC000451005059 240189590 /nfs/dbraw/zinc/18/95/90/240189590.db2.gz WSRVSMOGUYNGRY-VXGBXAGGSA-N 1 1 283.350 3.313 20 30 CGEDMO C[C@@]12C[N@@H+](Cc3cccc(C#N)c3F)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451372895 240287986 /nfs/dbraw/zinc/28/79/86/240287986.db2.gz RFPQEQFIQQCZSB-UOUZQGKXSA-N 1 1 282.362 3.341 20 30 CGEDMO COc1ccc(C[N@H+](Cc2ccc(C#N)o2)C2CC2)cc1 ZINC000120723631 370793989 /nfs/dbraw/zinc/79/39/89/370793989.db2.gz YKSYQMXMTGZUIR-UHFFFAOYSA-N 1 1 282.343 3.324 20 30 CGEDMO COc1ccc(C[N@@H+](Cc2ccc(C#N)o2)C2CC2)cc1 ZINC000120723631 370793991 /nfs/dbraw/zinc/79/39/91/370793991.db2.gz YKSYQMXMTGZUIR-UHFFFAOYSA-N 1 1 282.343 3.324 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)c1ccc(C(=O)OC)o1 ZINC000121109567 370829174 /nfs/dbraw/zinc/82/91/74/370829174.db2.gz BBAUQAZQEWYDSQ-LLVKDONJSA-N 1 1 251.326 3.025 20 30 CGEDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459479133 242122536 /nfs/dbraw/zinc/12/25/36/242122536.db2.gz UISOJMMMDCVUOO-WCQYABFASA-N 1 1 273.336 3.229 20 30 CGEDMO C[N@@H+](CCOc1ccccc1F)Cc1ccc(C#N)s1 ZINC000121524079 370868394 /nfs/dbraw/zinc/86/83/94/370868394.db2.gz FFBGMRWHIQUGHF-UHFFFAOYSA-N 1 1 290.363 3.270 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCCC[C@H](SC)C1 ZINC000121518431 370868442 /nfs/dbraw/zinc/86/84/42/370868442.db2.gz SXEVAXSIGPDWEF-HNNXBMFYSA-N 1 1 290.432 3.284 20 30 CGEDMO C=CC[N@@H+](C)CCC(=O)Nc1ccccc1C(F)(F)F ZINC000121602445 370876425 /nfs/dbraw/zinc/87/64/25/370876425.db2.gz FYOUOCWFISDQLF-UHFFFAOYSA-N 1 1 286.297 3.152 20 30 CGEDMO C=CC[N@H+](CCCn1ccnc1C)Cc1ccccc1F ZINC000124986172 370929288 /nfs/dbraw/zinc/92/92/88/370929288.db2.gz IJLJVEBCNPBPFA-UHFFFAOYSA-N 1 1 287.382 3.409 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000034673876 368976414 /nfs/dbraw/zinc/97/64/14/368976414.db2.gz NCPGNVACYXSNEK-CQSZACIVSA-N 1 1 258.365 3.202 20 30 CGEDMO Cc1nc([C@H](C)[NH2+]Cc2ccc(C#N)cc2)cs1 ZINC000037748425 369103237 /nfs/dbraw/zinc/10/32/37/369103237.db2.gz AJTPVUXDWORCOY-JTQLQIEISA-N 1 1 257.362 3.174 20 30 CGEDMO C[N@@H+](CCCC#N)Cc1cc(Br)cs1 ZINC000042250547 369207651 /nfs/dbraw/zinc/20/76/51/369207651.db2.gz IJFVXXUFOQTODK-UHFFFAOYSA-N 1 1 273.199 3.246 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c1F ZINC000494705554 244312560 /nfs/dbraw/zinc/31/25/60/244312560.db2.gz XAZGYVWACMRIAO-MRXNPFEDSA-N 1 1 288.366 3.088 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)c1F ZINC000494705554 244312564 /nfs/dbraw/zinc/31/25/64/244312564.db2.gz XAZGYVWACMRIAO-MRXNPFEDSA-N 1 1 288.366 3.088 20 30 CGEDMO C=CCC[N@H+](C)Cc1c[nH]nc1-c1cccc(C)c1 ZINC000276085889 193209232 /nfs/dbraw/zinc/20/92/32/193209232.db2.gz BZBLJHRDWDJNMV-UHFFFAOYSA-N 1 1 255.365 3.393 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000276394946 193314226 /nfs/dbraw/zinc/31/42/26/193314226.db2.gz JQBBSCFZVPZVQB-XJKSGUPXSA-N 1 1 297.826 3.286 20 30 CGEDMO C=CCC[N@@H+](C)Cc1c(Cl)n(C)nc1C(F)(F)F ZINC000276434478 193329322 /nfs/dbraw/zinc/32/93/22/193329322.db2.gz NWIKBFDRQILQLU-UHFFFAOYSA-N 1 1 281.709 3.100 20 30 CGEDMO C=CCC[N@H+](C)Cc1c(Cl)n(C)nc1C(F)(F)F ZINC000276434478 193329324 /nfs/dbraw/zinc/32/93/24/193329324.db2.gz NWIKBFDRQILQLU-UHFFFAOYSA-N 1 1 281.709 3.100 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(SC)cc1 ZINC000276504943 193359917 /nfs/dbraw/zinc/35/99/17/193359917.db2.gz WQFUSKPKEMHOLJ-LBPRGKRZSA-N 1 1 278.421 3.243 20 30 CGEDMO C=CCSc1ccccc1NC(=O)C[N@H+](C)CCC ZINC000069092472 369753932 /nfs/dbraw/zinc/75/39/32/369753932.db2.gz TUZOXEHFMWAUNT-UHFFFAOYSA-N 1 1 278.421 3.245 20 30 CGEDMO CCC[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)CC1CC1 ZINC000075593643 369914373 /nfs/dbraw/zinc/91/43/73/369914373.db2.gz QUKFTVPBJUBODI-UHFFFAOYSA-N 1 1 296.374 3.230 20 30 CGEDMO CC[C@H]1C[N@H+](Cc2ccc(C#N)cc2F)CCS1 ZINC000076071908 369928966 /nfs/dbraw/zinc/92/89/66/369928966.db2.gz AFKQRXGLASDJPY-ZDUSSCGKSA-N 1 1 264.369 3.025 20 30 CGEDMO CC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2F)CCS1 ZINC000076071908 369928970 /nfs/dbraw/zinc/92/89/70/369928970.db2.gz AFKQRXGLASDJPY-ZDUSSCGKSA-N 1 1 264.369 3.025 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000076736702 369941942 /nfs/dbraw/zinc/94/19/42/369941942.db2.gz OIIWQCVXVOQIJR-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO CC[C@@H](C)C[N@@H+](CC)CCC(=O)Nc1ccc(C#N)cc1 ZINC000093250954 370114188 /nfs/dbraw/zinc/11/41/88/370114188.db2.gz KQZGRTJVOPFVKG-CQSZACIVSA-N 1 1 287.407 3.255 20 30 CGEDMO C=CC[N@@H+](Cc1cccn1C)Cc1cccc([N+](=O)[O-])c1 ZINC000092646410 370099364 /nfs/dbraw/zinc/09/93/64/370099364.db2.gz QSJIJTCUJKIFMB-UHFFFAOYSA-N 1 1 285.347 3.122 20 30 CGEDMO C=CC[N@H+](Cc1cccn1C)Cc1cccc([N+](=O)[O-])c1 ZINC000092646410 370099367 /nfs/dbraw/zinc/09/93/67/370099367.db2.gz QSJIJTCUJKIFMB-UHFFFAOYSA-N 1 1 285.347 3.122 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CC=C(c2cccc(C)c2)CC1 ZINC000092822212 370103373 /nfs/dbraw/zinc/10/33/73/370103373.db2.gz KLVCQEHFGFLYGK-GOSISDBHSA-N 1 1 271.404 3.411 20 30 CGEDMO COc1ccccc1CC[N@@H+](C)Cc1cc(C#N)cs1 ZINC000093105334 370111632 /nfs/dbraw/zinc/11/16/32/370111632.db2.gz DSFZKEMCGCEGMS-UHFFFAOYSA-N 1 1 286.400 3.303 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2COc2ccccc2)o1 ZINC000093364524 370119991 /nfs/dbraw/zinc/11/99/91/370119991.db2.gz AACZVTNUSLRRCC-AWEZNQCLSA-N 1 1 282.343 3.195 20 30 CGEDMO CCO[C@H]1C[C@@H]([N@@H+](C)CC(C)(C)CCC#N)C1(C)C ZINC000093605470 370146912 /nfs/dbraw/zinc/14/69/12/370146912.db2.gz MVCCUZTYMDTUIN-KGLIPLIRSA-N 1 1 266.429 3.452 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](CC(C)(C)CCC#N)CCS1 ZINC000093869384 370165033 /nfs/dbraw/zinc/16/50/33/370165033.db2.gz PSFRNMTVRQZWTN-CYBMUJFWSA-N 1 1 254.443 3.390 20 30 CGEDMO C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1C#N ZINC000103138507 370319339 /nfs/dbraw/zinc/31/93/39/370319339.db2.gz KCYCCPMQJQXJPX-UHFFFAOYSA-N 1 1 254.308 3.329 20 30 CGEDMO C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1C#N ZINC000103138507 370319344 /nfs/dbraw/zinc/31/93/44/370319344.db2.gz KCYCCPMQJQXJPX-UHFFFAOYSA-N 1 1 254.308 3.329 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000113900735 370486088 /nfs/dbraw/zinc/48/60/88/370486088.db2.gz WRAGTTLIYNYGJM-HOTGVXAUSA-N 1 1 278.440 3.066 20 30 CGEDMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](CCCC#N)C3)nc2c1 ZINC000130788586 371059140 /nfs/dbraw/zinc/05/91/40/371059140.db2.gz SEHWYRJPDKCRRP-AWEZNQCLSA-N 1 1 282.391 3.355 20 30 CGEDMO Cc1ccc2nc([C@H]3CCC[N@H+](CCCC#N)C3)[nH]c2c1 ZINC000130788586 371059143 /nfs/dbraw/zinc/05/91/43/371059143.db2.gz SEHWYRJPDKCRRP-AWEZNQCLSA-N 1 1 282.391 3.355 20 30 CGEDMO Cc1ccc2nc([C@H]3CCC[N@@H+](CCCC#N)C3)[nH]c2c1 ZINC000130788586 371059146 /nfs/dbraw/zinc/05/91/46/371059146.db2.gz SEHWYRJPDKCRRP-AWEZNQCLSA-N 1 1 282.391 3.355 20 30 CGEDMO C[N@H+](Cc1cnn(C(C)(C)C)c1)Cc1cccc(C#N)c1 ZINC000130788831 371059196 /nfs/dbraw/zinc/05/91/96/371059196.db2.gz VAOOLTJESZGCIY-UHFFFAOYSA-N 1 1 282.391 3.142 20 30 CGEDMO C[N@@H+](Cc1cnn(C(C)(C)C)c1)Cc1cccc(C#N)c1 ZINC000130788831 371059200 /nfs/dbraw/zinc/05/92/00/371059200.db2.gz VAOOLTJESZGCIY-UHFFFAOYSA-N 1 1 282.391 3.142 20 30 CGEDMO C[N@@H+](CCCNc1cccnc1C#N)C1CCCCC1 ZINC000130970688 371073114 /nfs/dbraw/zinc/07/31/14/371073114.db2.gz DNUVHTJBXBNZGT-UHFFFAOYSA-N 1 1 272.396 3.020 20 30 CGEDMO COc1ccc(C[NH2+]Cc2nc(C3CC3)cs2)cc1C#N ZINC000131131439 371086162 /nfs/dbraw/zinc/08/61/62/371086162.db2.gz PRNYEFUPVVHEBE-UHFFFAOYSA-N 1 1 299.399 3.191 20 30 CGEDMO CC(C)CCC(N)=[NH+]OCc1ncc(C(C)(C)C)o1 ZINC000131312501 371099382 /nfs/dbraw/zinc/09/93/82/371099382.db2.gz YKFZBYHIFXARJV-UHFFFAOYSA-N 1 1 267.373 3.197 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+]1CCc2ccsc2C1 ZINC000132568883 371184999 /nfs/dbraw/zinc/18/49/99/371184999.db2.gz BXNWUKIUGUVEML-UHFFFAOYSA-N 1 1 284.384 3.187 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCc2ccsc2C1 ZINC000132568883 371185002 /nfs/dbraw/zinc/18/50/02/371185002.db2.gz BXNWUKIUGUVEML-UHFFFAOYSA-N 1 1 284.384 3.187 20 30 CGEDMO Cc1cnc([C@H](C)[NH2+]Cc2cccc(C#N)c2)s1 ZINC000134905217 371373383 /nfs/dbraw/zinc/37/33/83/371373383.db2.gz MLFPASGRGKMLMD-NSHDSACASA-N 1 1 257.362 3.174 20 30 CGEDMO CSC[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000135459482 371429417 /nfs/dbraw/zinc/42/94/17/371429417.db2.gz SOTCBJHBXMNBDB-AWEZNQCLSA-N 1 1 264.369 3.025 20 30 CGEDMO CSC[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000135459482 371429420 /nfs/dbraw/zinc/42/94/20/371429420.db2.gz SOTCBJHBXMNBDB-AWEZNQCLSA-N 1 1 264.369 3.025 20 30 CGEDMO N#Cc1sc(NC[C@@H]2CCCC[N@H+]2C2CC2)nc1Cl ZINC000287808792 371708367 /nfs/dbraw/zinc/70/83/67/371708367.db2.gz PSQUQJOSKZWUQK-JTQLQIEISA-N 1 1 296.827 3.097 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000288112909 371732062 /nfs/dbraw/zinc/73/20/62/371732062.db2.gz HONGQCJDMAGGAM-RDJZCZTQSA-N 1 1 286.419 3.122 20 30 CGEDMO C[N@@H+]1CC[C@H](NCC#Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000289355217 371755088 /nfs/dbraw/zinc/75/50/88/371755088.db2.gz HVOCYIRTXSAZAO-PMACEKPBSA-N 1 1 290.410 3.073 20 30 CGEDMO C[N@H+]1CC[C@H](NCC#Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000289355217 371755094 /nfs/dbraw/zinc/75/50/94/371755094.db2.gz HVOCYIRTXSAZAO-PMACEKPBSA-N 1 1 290.410 3.073 20 30 CGEDMO Cc1cnn([C@@H]2CC[N@H+]([C@H](C)c3cccc(C#N)c3)C2)c1 ZINC000289739469 371806073 /nfs/dbraw/zinc/80/60/73/371806073.db2.gz DWCVANYPGYHNFP-RHSMWYFYSA-N 1 1 280.375 3.071 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)CCC1(F)F ZINC000289965573 371864846 /nfs/dbraw/zinc/86/48/46/371864846.db2.gz WVTDCHWZLVXKMX-SNVBAGLBSA-N 1 1 268.282 3.174 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)CCC1(F)F ZINC000289965573 371864849 /nfs/dbraw/zinc/86/48/49/371864849.db2.gz WVTDCHWZLVXKMX-SNVBAGLBSA-N 1 1 268.282 3.174 20 30 CGEDMO CC(C)SCC[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344069916 217037867 /nfs/dbraw/zinc/03/78/67/217037867.db2.gz LQQGMPCTLLBSSD-UHFFFAOYSA-N 1 1 292.448 3.148 20 30 CGEDMO CC#CCC[N@@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000155654016 371939187 /nfs/dbraw/zinc/93/91/87/371939187.db2.gz SGNWLCIIIHHYGC-UHFFFAOYSA-N 1 1 299.393 3.494 20 30 CGEDMO C#CC[N@@H+](Cc1nc(C)c2ccccc2n1)C1CCCC1 ZINC000155734441 371940051 /nfs/dbraw/zinc/94/00/51/371940051.db2.gz DNOGKMKQTWAVEE-UHFFFAOYSA-N 1 1 279.387 3.316 20 30 CGEDMO C#CC[N@H+](Cc1nc(C)c2ccccc2n1)C1CCCC1 ZINC000155734441 371940057 /nfs/dbraw/zinc/94/00/57/371940057.db2.gz DNOGKMKQTWAVEE-UHFFFAOYSA-N 1 1 279.387 3.316 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)N(CC)Cc1ccccc1 ZINC000156146331 371964372 /nfs/dbraw/zinc/96/43/72/371964372.db2.gz XFJUOINKPHMDLZ-MRXNPFEDSA-N 1 1 288.435 3.322 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](C3CC3)C2)c1 ZINC000344127797 217064074 /nfs/dbraw/zinc/06/40/74/217064074.db2.gz WOVXMVSZJNWBQA-AWEZNQCLSA-N 1 1 258.340 3.319 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccc(Br)nc1 ZINC000290626253 372029617 /nfs/dbraw/zinc/02/96/17/372029617.db2.gz IUIJEOFCNMOKKG-QMMMGPOBSA-N 1 1 275.577 3.247 20 30 CGEDMO CC(C)CCOCC[N@H+](CCC#N)CC(C)(C)C ZINC000157240389 372012411 /nfs/dbraw/zinc/01/24/11/372012411.db2.gz ZLPHORHMXPGOEW-UHFFFAOYSA-N 1 1 254.418 3.311 20 30 CGEDMO CC(C)CCOCC[N@@H+](CCC#N)CC(C)(C)C ZINC000157240389 372012417 /nfs/dbraw/zinc/01/24/17/372012417.db2.gz ZLPHORHMXPGOEW-UHFFFAOYSA-N 1 1 254.418 3.311 20 30 CGEDMO CCCC[N@@H+]1CCCC[C@H]1CNCc1cc(C#N)cs1 ZINC000344186201 217089742 /nfs/dbraw/zinc/08/97/42/217089742.db2.gz CXMKWZPHDZKWOH-HNNXBMFYSA-N 1 1 291.464 3.364 20 30 CGEDMO CCCC[N@H+]1CCCC[C@H]1CNCc1cc(C#N)cs1 ZINC000344186201 217089745 /nfs/dbraw/zinc/08/97/45/217089745.db2.gz CXMKWZPHDZKWOH-HNNXBMFYSA-N 1 1 291.464 3.364 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000290934826 372078016 /nfs/dbraw/zinc/07/80/16/372078016.db2.gz PFXGBGIRJYJTGI-ROUUACIJSA-N 1 1 281.399 3.201 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425550593 372132485 /nfs/dbraw/zinc/13/24/85/372132485.db2.gz NAKKZAHGBHOKGJ-HUUCEWRRSA-N 1 1 265.784 3.414 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425554074 372132600 /nfs/dbraw/zinc/13/26/00/372132600.db2.gz VFXLNHIKZOPJIV-ZIAGYGMSSA-N 1 1 251.757 3.024 20 30 CGEDMO COCC(C)(C)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000426027039 372148346 /nfs/dbraw/zinc/14/83/46/372148346.db2.gz FKHTVGBPPXKCGR-UHFFFAOYSA-N 1 1 272.392 3.195 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(OC)c(OC)c1OC ZINC000426570702 372165347 /nfs/dbraw/zinc/16/53/47/372165347.db2.gz OARDPZHEXMGTPM-AWEZNQCLSA-N 1 1 291.391 3.253 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000291718555 372173129 /nfs/dbraw/zinc/17/31/29/372173129.db2.gz IWWSPUDJHDORDL-GOSISDBHSA-N 1 1 273.420 3.369 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCCCC#N)[C@H]1C(=O)OC(C)(C)C ZINC000425525385 372130951 /nfs/dbraw/zinc/13/09/51/372130951.db2.gz TZIQOJQIXMGEFQ-ZIAGYGMSSA-N 1 1 280.412 3.122 20 30 CGEDMO C#CC[N@H+](CCC1CCOCC1)Cc1ccc(F)cc1 ZINC000292621970 372198385 /nfs/dbraw/zinc/19/83/85/372198385.db2.gz NAACPVTZLQLEGG-UHFFFAOYSA-N 1 1 275.367 3.078 20 30 CGEDMO C=CCOCC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000292914459 372248357 /nfs/dbraw/zinc/24/83/57/372248357.db2.gz XJZTYABAEWHNGC-CVEARBPZSA-N 1 1 293.407 3.150 20 30 CGEDMO C=CC[N@H+](CCC#N)C[C@@H]1CCc2ccccc2C1 ZINC000428886357 372278987 /nfs/dbraw/zinc/27/89/87/372278987.db2.gz YVVUPNVXFMUQNL-OAHLLOKOSA-N 1 1 254.377 3.193 20 30 CGEDMO C=CC[N@@H+](CCC#N)C[C@@H]1CCc2ccccc2C1 ZINC000428886357 372278992 /nfs/dbraw/zinc/27/89/92/372278992.db2.gz YVVUPNVXFMUQNL-OAHLLOKOSA-N 1 1 254.377 3.193 20 30 CGEDMO CC(C)[C@H]1C[N@H+]([C@H](C)c2ccc(C#N)cc2)CCCO1 ZINC000293189338 372321745 /nfs/dbraw/zinc/32/17/45/372321745.db2.gz QDHYRQNLGCKENB-RHSMWYFYSA-N 1 1 272.392 3.366 20 30 CGEDMO Cc1ccoc1C[N@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000429388057 372360944 /nfs/dbraw/zinc/36/09/44/372360944.db2.gz NCGAUNDJPAZZPW-UHFFFAOYSA-N 1 1 254.333 3.400 20 30 CGEDMO CC(C)N(CC[C@@H]1CCC[N@@H+]1C)Cc1ccc(C#N)cc1 ZINC000161563101 372335967 /nfs/dbraw/zinc/33/59/67/372335967.db2.gz SSFSLENDPKKGDG-SFHVURJKSA-N 1 1 285.435 3.253 20 30 CGEDMO CC(C)N(CC[C@@H]1CCC[N@H+]1C)Cc1ccc(C#N)cc1 ZINC000161563101 372335973 /nfs/dbraw/zinc/33/59/73/372335973.db2.gz SSFSLENDPKKGDG-SFHVURJKSA-N 1 1 285.435 3.253 20 30 CGEDMO CC(C)[N@H+](CC[C@@H]1CCCN1C)Cc1ccc(C#N)cc1 ZINC000161563101 372335978 /nfs/dbraw/zinc/33/59/78/372335978.db2.gz SSFSLENDPKKGDG-SFHVURJKSA-N 1 1 285.435 3.253 20 30 CGEDMO CC(C)[N@@H+](CC[C@@H]1CCCN1C)Cc1ccc(C#N)cc1 ZINC000161563101 372335985 /nfs/dbraw/zinc/33/59/85/372335985.db2.gz SSFSLENDPKKGDG-SFHVURJKSA-N 1 1 285.435 3.253 20 30 CGEDMO C[C@H]1CC[C@@H]([N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000429580202 372375788 /nfs/dbraw/zinc/37/57/88/372375788.db2.gz TVTMAGWZNNIHPQ-DOTOQJQBSA-N 1 1 299.418 3.054 20 30 CGEDMO C=CCOCC[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000293404126 372376025 /nfs/dbraw/zinc/37/60/25/372376025.db2.gz HSRXCOISPJGDRW-AWEZNQCLSA-N 1 1 258.365 3.144 20 30 CGEDMO C[C@@H]([NH2+][C@@H](C)c1cscn1)c1ccc(C#N)cc1 ZINC000162382929 372391814 /nfs/dbraw/zinc/39/18/14/372391814.db2.gz IYFRPUDDHQPLJL-MNOVXSKESA-N 1 1 257.362 3.427 20 30 CGEDMO C[C@@H]1CCC[C@H]([NH+]2CCC(NCC3(CC#N)CC3)CC2)C1 ZINC000430766647 372395489 /nfs/dbraw/zinc/39/54/89/372395489.db2.gz XOLVDWBNUHSOTC-WBVHZDCISA-N 1 1 289.467 3.313 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(C#N)cc1F ZINC000344353727 217163483 /nfs/dbraw/zinc/16/34/83/217163483.db2.gz QPSDVVJZHQVCTQ-JTQLQIEISA-N 1 1 285.347 3.481 20 30 CGEDMO C[C@H](C[N@@H+](C)Cc1cccc(C#N)c1F)c1nccs1 ZINC000344354519 217164841 /nfs/dbraw/zinc/16/48/41/217164841.db2.gz DZLVTJDDMAZTNP-LLVKDONJSA-N 1 1 289.379 3.389 20 30 CGEDMO C=CCOc1ccc(C[NH+]2CC3(C2)CCOC3)cc1Cl ZINC000293904579 372519434 /nfs/dbraw/zinc/51/94/34/372519434.db2.gz FORNLDJWVULNQR-UHFFFAOYSA-N 1 1 293.794 3.127 20 30 CGEDMO CCc1ccc([C@@H]2CC[N@@H+](CC3(C#N)CC3)C2)cc1 ZINC000433078672 372579294 /nfs/dbraw/zinc/57/92/94/372579294.db2.gz SYSKPZUYYBSLOA-MRXNPFEDSA-N 1 1 254.377 3.342 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000433051100 372579727 /nfs/dbraw/zinc/57/97/27/372579727.db2.gz GCUFICVXXBKVTQ-RDJZCZTQSA-N 1 1 261.409 3.267 20 30 CGEDMO COCC[C@@H](c1ccccc1)[N@@H+](C)CC(C)(C)C#N ZINC000433314540 372590870 /nfs/dbraw/zinc/59/08/70/372590870.db2.gz ZZYHDMUQIRNIIL-HNNXBMFYSA-N 1 1 260.381 3.246 20 30 CGEDMO C[C@@H]1CCCC[N@@H+]1CCCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353412323 220069308 /nfs/dbraw/zinc/06/93/08/220069308.db2.gz LSWODKLTWNGFRC-DNVCBOLYSA-N 1 1 297.446 3.400 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353412323 220069309 /nfs/dbraw/zinc/06/93/09/220069309.db2.gz LSWODKLTWNGFRC-DNVCBOLYSA-N 1 1 297.446 3.400 20 30 CGEDMO CC(C)[N@@H+]1CCC[C@H](CN[C@H]2CCc3ccc(C#N)cc32)C1 ZINC000353430340 220077571 /nfs/dbraw/zinc/07/75/71/220077571.db2.gz WIXQGEQWKACWAD-APWZRJJASA-N 1 1 297.446 3.256 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H](CN[C@H]2CCc3ccc(C#N)cc32)C1 ZINC000353430340 220077574 /nfs/dbraw/zinc/07/75/74/220077574.db2.gz WIXQGEQWKACWAD-APWZRJJASA-N 1 1 297.446 3.256 20 30 CGEDMO C=CCC[C@@H](NC(=O)C[N@H+](C)CCC)c1ccccc1 ZINC000435720734 372798030 /nfs/dbraw/zinc/79/80/30/372798030.db2.gz CZHWHWLOGMNWMD-MRXNPFEDSA-N 1 1 274.408 3.152 20 30 CGEDMO C=CC[N@@H+](CC[C@H]1CCOC1)CC1CCCCC1 ZINC000438118712 372890430 /nfs/dbraw/zinc/89/04/30/372890430.db2.gz IBPQJDSGLANOMU-INIZCTEOSA-N 1 1 251.414 3.481 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)C[C@H]2CCCCC2(F)F)n1 ZINC000295939799 372966645 /nfs/dbraw/zinc/96/66/45/372966645.db2.gz HXGOVDWGSJISHH-CQSZACIVSA-N 1 1 295.377 3.164 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)C[C@H]2CCCCC2(F)F)n1 ZINC000295939799 372966655 /nfs/dbraw/zinc/96/66/55/372966655.db2.gz HXGOVDWGSJISHH-CQSZACIVSA-N 1 1 295.377 3.164 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@](COC)(C(=O)OCC)C1 ZINC000439474320 372978762 /nfs/dbraw/zinc/97/87/62/372978762.db2.gz WWIWALMZARIOEX-NVXWUHKLSA-N 1 1 297.439 3.023 20 30 CGEDMO C=CCC[N@H+](CCC)CC(=O)Nc1ccccc1C ZINC000172619107 372994323 /nfs/dbraw/zinc/99/43/23/372994323.db2.gz TVQBHIXFTKIVSA-UHFFFAOYSA-N 1 1 260.381 3.222 20 30 CGEDMO CCOc1ccc2c(c1)CC[N@H+](CCCSCC#N)C2 ZINC000441086930 372998183 /nfs/dbraw/zinc/99/81/83/372998183.db2.gz GVOKVGFCSBBKKD-UHFFFAOYSA-N 1 1 290.432 3.090 20 30 CGEDMO C=CC[N@H+](C[C@@H](C)O)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441238236 373000138 /nfs/dbraw/zinc/00/01/38/373000138.db2.gz YJEQRLXIRZONPJ-CHWSQXEVSA-N 1 1 267.800 3.140 20 30 CGEDMO COc1cc(C[N@@H+](C)[C@H]2CC[C@@H](C)C2)ccc1C#N ZINC000443062627 373148255 /nfs/dbraw/zinc/14/82/55/373148255.db2.gz LYEQHCFHHOYMFJ-DOMZBBRYSA-N 1 1 258.365 3.187 20 30 CGEDMO C=CCCC[N@H+](C)CCC(=O)Nc1cccc(F)c1C ZINC000444248135 373177797 /nfs/dbraw/zinc/17/77/97/373177797.db2.gz MSMBLMJSIAGOSE-UHFFFAOYSA-N 1 1 278.371 3.361 20 30 CGEDMO CC(C)[N@@H+](C)C[C@H](C)N[C@@H](C)c1ccc(C#N)cc1F ZINC000353581296 220172213 /nfs/dbraw/zinc/17/22/13/220172213.db2.gz YSRPEBZGTHJOFA-STQMWFEESA-N 1 1 277.387 3.077 20 30 CGEDMO Cc1cc(C)cc(C[N@H+](C)C[C@H](C#N)CCC#N)c1 ZINC000444708399 373248975 /nfs/dbraw/zinc/24/89/75/373248975.db2.gz QPAKZLWQVWCCOO-HNNXBMFYSA-N 1 1 255.365 3.179 20 30 CGEDMO Cc1cc(C)cc(C[N@@H+](C)C[C@H](C#N)CCC#N)c1 ZINC000444708399 373248981 /nfs/dbraw/zinc/24/89/81/373248981.db2.gz QPAKZLWQVWCCOO-HNNXBMFYSA-N 1 1 255.365 3.179 20 30 CGEDMO C=CC[C@H]1[N@H+](C[C@@H]2CCCOC2)CCCC1(C)C ZINC000444791528 373278534 /nfs/dbraw/zinc/27/85/34/373278534.db2.gz NJUKFZUSTGUUIV-LSDHHAIUSA-N 1 1 251.414 3.480 20 30 CGEDMO CC(C)[C@@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000446743578 373358002 /nfs/dbraw/zinc/35/80/02/373358002.db2.gz VIYBXNFCZBCCPO-OAHLLOKOSA-N 1 1 296.374 3.086 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@]2(CO)CCC)cc1 ZINC000446906150 373378551 /nfs/dbraw/zinc/37/85/51/373378551.db2.gz LUOKCNZKJMUJPB-GOSISDBHSA-N 1 1 289.419 3.378 20 30 CGEDMO CC[N@@H+](C)CCNc1c(C#N)cnc2ccc(C(C)C)cc21 ZINC000447692318 373473937 /nfs/dbraw/zinc/47/39/37/373473937.db2.gz DEXZMIZCEPOZOO-UHFFFAOYSA-N 1 1 296.418 3.015 20 30 CGEDMO Cc1cc(C[N@@H+]2CCO[C@@H](C(C)(C)C)C2)ccc1C#N ZINC000447846773 373508666 /nfs/dbraw/zinc/50/86/66/373508666.db2.gz CCLJDGYXJLHSDM-MRXNPFEDSA-N 1 1 272.392 3.114 20 30 CGEDMO Cc1cc(C[N@H+]2CCO[C@@H](C(C)(C)C)C2)ccc1C#N ZINC000447846773 373508675 /nfs/dbraw/zinc/50/86/75/373508675.db2.gz CCLJDGYXJLHSDM-MRXNPFEDSA-N 1 1 272.392 3.114 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000448771740 373639820 /nfs/dbraw/zinc/63/98/20/373639820.db2.gz ORPHSFBAGLNYHO-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO CC[C@H]1CCCC[N@H+]1CCNc1ccc(Cl)c(C#N)n1 ZINC000301269260 373720410 /nfs/dbraw/zinc/72/04/10/373720410.db2.gz NBJRMGBDXFEDIN-LBPRGKRZSA-N 1 1 292.814 3.283 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cn3ccccc3c2C#N)[C@@H]1C ZINC000177888712 373722687 /nfs/dbraw/zinc/72/26/87/373722687.db2.gz WBKNJAVYZGHNLK-CHWSQXEVSA-N 1 1 253.349 3.041 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@@H](OC)C(C)(C)C2)c1 ZINC000449502926 373800927 /nfs/dbraw/zinc/80/09/27/373800927.db2.gz SGHDKUXFCQSGTL-QGZVFWFLSA-N 1 1 289.419 3.498 20 30 CGEDMO CC(C)(C)C[C@@H]1CC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000449776221 373904483 /nfs/dbraw/zinc/90/44/83/373904483.db2.gz OFNDUQSTCKHPMC-NSHDSACASA-N 1 1 263.410 3.273 20 30 CGEDMO CC(C)(C)C[C@@H]1CC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000449776221 373904491 /nfs/dbraw/zinc/90/44/91/373904491.db2.gz OFNDUQSTCKHPMC-NSHDSACASA-N 1 1 263.410 3.273 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CCOC3(CCCCC3)C2)c1 ZINC000179936491 373941833 /nfs/dbraw/zinc/94/18/33/373941833.db2.gz MVMQIGJCLVXVOZ-UHFFFAOYSA-N 1 1 276.405 3.155 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCOC3(CCCCC3)C2)c1 ZINC000179936491 373941840 /nfs/dbraw/zinc/94/18/40/373941840.db2.gz MVMQIGJCLVXVOZ-UHFFFAOYSA-N 1 1 276.405 3.155 20 30 CGEDMO CCC[C@H]1CN(CCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000180274086 373987195 /nfs/dbraw/zinc/98/71/95/373987195.db2.gz IUAUGXSDIJXVEM-SFHVURJKSA-N 1 1 285.435 3.277 20 30 CGEDMO N#CC1(C[N@H+](CCCO)[C@@H]2CCc3ccccc32)CCC1 ZINC000450466100 374148478 /nfs/dbraw/zinc/14/84/78/374148478.db2.gz FYHAFWLIUXMVGG-QGZVFWFLSA-N 1 1 284.403 3.052 20 30 CGEDMO COc1cc(C)c([C@H](C)[NH2+]CC2(C#N)CCC2)cc1OC ZINC000450664390 374168956 /nfs/dbraw/zinc/16/89/56/374168956.db2.gz CZJXFWSBEMATNB-ZDUSSCGKSA-N 1 1 288.391 3.357 20 30 CGEDMO CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1CC1(C#N)CCC1 ZINC000450749250 374176463 /nfs/dbraw/zinc/17/64/63/374176463.db2.gz XMZKWUWMUTZIQE-MRXNPFEDSA-N 1 1 283.419 3.281 20 30 CGEDMO CC[C@@H]1CN(c2ccccc2)CC[N@H+]1CC1(C#N)CCC1 ZINC000450749250 374176470 /nfs/dbraw/zinc/17/64/70/374176470.db2.gz XMZKWUWMUTZIQE-MRXNPFEDSA-N 1 1 283.419 3.281 20 30 CGEDMO CC(C)[N@@H+](C)C[C@H](C)Nc1cccc(Cl)c1C#N ZINC000311122971 374232563 /nfs/dbraw/zinc/23/25/63/374232563.db2.gz YCHMUGOIRSSYSR-NSHDSACASA-N 1 1 265.788 3.352 20 30 CGEDMO CC(C)(C)[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000317697648 374339260 /nfs/dbraw/zinc/33/92/60/374339260.db2.gz CSWBWLLIUHWJJV-HNNXBMFYSA-N 1 1 299.418 3.255 20 30 CGEDMO N#Cc1cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)nc2ccccc12 ZINC000317613733 374340513 /nfs/dbraw/zinc/34/05/13/374340513.db2.gz UAVPEUBXPVIBPV-CABCVRRESA-N 1 1 292.386 3.145 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@H](C)C1CCC1 ZINC000325641617 374357805 /nfs/dbraw/zinc/35/78/05/374357805.db2.gz ZXHCESMXWJPNKZ-GFCCVEGCSA-N 1 1 258.365 3.187 20 30 CGEDMO C[C@H](NCc1ccccc1C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183102649 374371338 /nfs/dbraw/zinc/37/13/38/374371338.db2.gz YEHYCNOAPFMGHD-YJBOKZPZSA-N 1 1 297.446 3.301 20 30 CGEDMO C[C@@H](NCc1ccccc1C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183102875 374373830 /nfs/dbraw/zinc/37/38/30/374373830.db2.gz YEHYCNOAPFMGHD-QAPCUYQASA-N 1 1 297.446 3.301 20 30 CGEDMO C=CCOc1cccc(C[N@H+](C)[C@@H](C)CC(=O)OCC)c1 ZINC000183186739 374381309 /nfs/dbraw/zinc/38/13/09/374381309.db2.gz KWVCZQAVXRCOOX-AWEZNQCLSA-N 1 1 291.391 3.025 20 30 CGEDMO CC[C@@H]1CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000330528056 374478037 /nfs/dbraw/zinc/47/80/37/374478037.db2.gz RHVNZMSOTTVEOX-CYBMUJFWSA-N 1 1 291.782 3.025 20 30 CGEDMO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(CC#N)cc2)on1 ZINC000331866660 374548935 /nfs/dbraw/zinc/54/89/35/374548935.db2.gz UESOZTCMSHERNT-MRXNPFEDSA-N 1 1 281.359 3.386 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CCCC1 ZINC000334635232 374927365 /nfs/dbraw/zinc/92/73/65/374927365.db2.gz LARWCAWMDIJKBJ-KRWDZBQOSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCOCCC[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000470722811 374999303 /nfs/dbraw/zinc/99/93/03/374999303.db2.gz KLSYZDHQIKPTSE-QGZVFWFLSA-N 1 1 277.383 3.425 20 30 CGEDMO C=CCOCCC[N@@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000470778178 374999703 /nfs/dbraw/zinc/99/97/03/374999703.db2.gz CDPXTLUVALPGOO-NVXWUHKLSA-N 1 1 259.393 3.457 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](CCC)CCc1cccc(F)c1 ZINC000472737079 375030977 /nfs/dbraw/zinc/03/09/77/375030977.db2.gz IWHJTCSKMMNMLZ-QGZVFWFLSA-N 1 1 279.399 3.407 20 30 CGEDMO CCC[C@H]1C[N@@H+]([C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000187695867 375075868 /nfs/dbraw/zinc/07/58/68/375075868.db2.gz QLACKGYLCYVURL-BBRMVZONSA-N 1 1 258.365 3.120 20 30 CGEDMO CCC[C@H]1C[N@H+]([C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000187695867 375075876 /nfs/dbraw/zinc/07/58/76/375075876.db2.gz QLACKGYLCYVURL-BBRMVZONSA-N 1 1 258.365 3.120 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000473693058 375059181 /nfs/dbraw/zinc/05/91/81/375059181.db2.gz JDNBXCXAFKYTMZ-JYYAWHABSA-N 1 1 280.456 3.071 20 30 CGEDMO Cc1cc(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)ccc1C#N ZINC000335110063 375139783 /nfs/dbraw/zinc/13/97/83/375139783.db2.gz YRLDCWDISAWQCE-SFHVURJKSA-N 1 1 296.414 3.258 20 30 CGEDMO C=CCCCCC[N@@H+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000483349266 375179801 /nfs/dbraw/zinc/17/98/01/375179801.db2.gz CVJRHWLGICIOQR-QGZVFWFLSA-N 1 1 281.440 3.393 20 30 CGEDMO N#CC1(C[N@@H+]2CCC[C@@H](c3nccs3)C2)CCC1 ZINC000335220343 375239590 /nfs/dbraw/zinc/23/95/90/375239590.db2.gz KNCOEFAAVWMWGJ-GFCCVEGCSA-N 1 1 261.394 3.016 20 30 CGEDMO N#CC1(C[N@H+]2CCC[C@@H](c3nccs3)C2)CCC1 ZINC000335220343 375239600 /nfs/dbraw/zinc/23/96/00/375239600.db2.gz KNCOEFAAVWMWGJ-GFCCVEGCSA-N 1 1 261.394 3.016 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000484498715 375189612 /nfs/dbraw/zinc/18/96/12/375189612.db2.gz FPAJZRAMDCBDKZ-OAHLLOKOSA-N 1 1 280.456 3.073 20 30 CGEDMO Cc1cc(C[N@@H+](C)C2CCN(C(C)C)CC2)ccc1C#N ZINC000487858178 375278415 /nfs/dbraw/zinc/27/84/15/375278415.db2.gz JMLPCGAIVYGQBW-UHFFFAOYSA-N 1 1 285.435 3.171 20 30 CGEDMO Cc1cc(C[N@H+](C)C2CCN(C(C)C)CC2)ccc1C#N ZINC000487858178 375278421 /nfs/dbraw/zinc/27/84/21/375278421.db2.gz JMLPCGAIVYGQBW-UHFFFAOYSA-N 1 1 285.435 3.171 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000491325247 375325357 /nfs/dbraw/zinc/32/53/57/375325357.db2.gz AVKKHKKPJFOHMF-VIFPVBQESA-N 1 1 282.265 3.300 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000491325247 375325365 /nfs/dbraw/zinc/32/53/65/375325365.db2.gz AVKKHKKPJFOHMF-VIFPVBQESA-N 1 1 282.265 3.300 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC000487908076 375283410 /nfs/dbraw/zinc/28/34/10/375283410.db2.gz LBPGJYLVYPKWFS-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000488215903 375306864 /nfs/dbraw/zinc/30/68/64/375306864.db2.gz ICCVDHLUUFRAPU-AWEZNQCLSA-N 1 1 267.413 3.396 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(OCc2ccccc2F)nc1 ZINC000494673698 375490209 /nfs/dbraw/zinc/49/02/09/375490209.db2.gz RRBFUQGRLZFOTN-UHFFFAOYSA-N 1 1 286.350 3.418 20 30 CGEDMO Fc1ccc(C#CC[N@@H+]2CCC[C@H](OCC3CC3)C2)cc1 ZINC000494701078 375491726 /nfs/dbraw/zinc/49/17/26/375491726.db2.gz DXODSHIKMOZEQR-SFHVURJKSA-N 1 1 287.378 3.068 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCC[C@H](OCC3CC3)C2)cc1 ZINC000494701078 375491737 /nfs/dbraw/zinc/49/17/37/375491737.db2.gz DXODSHIKMOZEQR-SFHVURJKSA-N 1 1 287.378 3.068 20 30 CGEDMO Fc1ccc(C#CC[N@@H+]2CCC[C@@H](OCC3CC3)C2)cc1 ZINC000494701070 375492639 /nfs/dbraw/zinc/49/26/39/375492639.db2.gz DXODSHIKMOZEQR-GOSISDBHSA-N 1 1 287.378 3.068 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCC[C@@H](OCC3CC3)C2)cc1 ZINC000494701070 375492649 /nfs/dbraw/zinc/49/26/49/375492649.db2.gz DXODSHIKMOZEQR-GOSISDBHSA-N 1 1 287.378 3.068 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)C[C@H]1CCSC1 ZINC000494980480 375496018 /nfs/dbraw/zinc/49/60/18/375496018.db2.gz PWNJHUIMLRQVSJ-MRXNPFEDSA-N 1 1 261.434 3.470 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)C[C@H]1CCSC1 ZINC000495077446 375498344 /nfs/dbraw/zinc/49/83/44/375498344.db2.gz FEGYZYKOGMXHDV-GFCCVEGCSA-N 1 1 253.436 3.489 20 30 CGEDMO C=C[C@@H]1CCCCN1C(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC000495231313 375499485 /nfs/dbraw/zinc/49/94/85/375499485.db2.gz OLGYKGLAOBRZQG-HZPDHXFCSA-N 1 1 293.455 3.001 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000496791924 375556908 /nfs/dbraw/zinc/55/69/08/375556908.db2.gz OVPQDBAEGFVHHP-KGLIPLIRSA-N 1 1 295.427 3.010 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496872092 375561681 /nfs/dbraw/zinc/56/16/81/375561681.db2.gz CPRJUJKLQGNAAB-ZDUSSCGKSA-N 1 1 274.364 3.212 20 30 CGEDMO COc1ccc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)cc1C#N ZINC000336009009 375613608 /nfs/dbraw/zinc/61/36/08/375613608.db2.gz OHXMIKLIGFGUIP-NSHDSACASA-N 1 1 280.318 3.044 20 30 CGEDMO CC[N@H+]1C[C@H](C)N(CC#Cc2cccc(Cl)c2)C[C@@H]1C ZINC000498939479 375628422 /nfs/dbraw/zinc/62/84/22/375628422.db2.gz VPRAMVWAJSTOBV-GJZGRUSLSA-N 1 1 290.838 3.106 20 30 CGEDMO C=CC[C@@H](CO)C[NH2+][C@@H](CCc1ccccc1)C(F)F ZINC000498746442 375628694 /nfs/dbraw/zinc/62/86/94/375628694.db2.gz FUUAMEYZUQKZDG-CABCVRRESA-N 1 1 283.362 3.027 20 30 CGEDMO CC[C@@H]1Cc2ccccc2C[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191501607 375635546 /nfs/dbraw/zinc/63/55/46/375635546.db2.gz SMWFPDQSNGHGBQ-QGZVFWFLSA-N 1 1 279.387 3.234 20 30 CGEDMO CC1(C)C[N@@H+](CC2(C#N)CC2)C[C@H]1c1ccccc1 ZINC000501536568 375639511 /nfs/dbraw/zinc/63/95/11/375639511.db2.gz HJZJFZCLFVIISB-HNNXBMFYSA-N 1 1 254.377 3.416 20 30 CGEDMO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)o1 ZINC000192179990 375708026 /nfs/dbraw/zinc/70/80/26/375708026.db2.gz SZOFXTPYRQDRLI-LLVKDONJSA-N 1 1 258.296 3.450 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](CCOC)CC(C)C)cc1 ZINC000508515633 375747407 /nfs/dbraw/zinc/74/74/07/375747407.db2.gz CSWBPHISNZEUMY-UHFFFAOYSA-N 1 1 277.408 3.356 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000336521804 375802921 /nfs/dbraw/zinc/80/29/21/375802921.db2.gz BYRTTXIGLCBMRN-QGZVFWFLSA-N 1 1 263.344 3.290 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000336521804 375802927 /nfs/dbraw/zinc/80/29/27/375802927.db2.gz BYRTTXIGLCBMRN-QGZVFWFLSA-N 1 1 263.344 3.290 20 30 CGEDMO C=CCCCCCNC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000516086028 375818075 /nfs/dbraw/zinc/81/80/75/375818075.db2.gz OXZPACCEUOKQQB-HZPDHXFCSA-N 1 1 295.471 3.247 20 30 CGEDMO Cc1cc(C[N@H+]2CC[C@H](C3CCOCC3)C2)ccc1C#N ZINC000336580230 375847360 /nfs/dbraw/zinc/84/73/60/375847360.db2.gz NRXGSBYBLWRRQK-SFHVURJKSA-N 1 1 284.403 3.115 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCN(c3ccccc3F)CC2)o1 ZINC000336580557 375848829 /nfs/dbraw/zinc/84/88/29/375848829.db2.gz SVJUSORUYVDONM-UHFFFAOYSA-N 1 1 299.349 3.003 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCCN(c3ccccc3F)CC2)o1 ZINC000336580557 375848832 /nfs/dbraw/zinc/84/88/32/375848832.db2.gz SVJUSORUYVDONM-UHFFFAOYSA-N 1 1 299.349 3.003 20 30 CGEDMO C=CCCCC[N@@H+]1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000520728341 375870769 /nfs/dbraw/zinc/87/07/69/375870769.db2.gz JGGHGVFTOPUODG-ARFHVFGLSA-N 1 1 250.430 3.005 20 30 CGEDMO C=CCCCCN1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000520728341 375870774 /nfs/dbraw/zinc/87/07/74/375870774.db2.gz JGGHGVFTOPUODG-ARFHVFGLSA-N 1 1 250.430 3.005 20 30 CGEDMO C=CCCCCN1CC[N@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000520728341 375870781 /nfs/dbraw/zinc/87/07/81/375870781.db2.gz JGGHGVFTOPUODG-ARFHVFGLSA-N 1 1 250.430 3.005 20 30 CGEDMO CC(C)(C)[C@@H]1CCC[N@@H+](C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000528384638 375899695 /nfs/dbraw/zinc/89/96/95/375899695.db2.gz SZTUAVJLTOPGMP-CABCVRRESA-N 1 1 278.440 3.189 20 30 CGEDMO CC1(C)C[N@@H+](C[C@@H](O)CC2(C#N)CC2)[C@H]1c1cccs1 ZINC000528508537 375903844 /nfs/dbraw/zinc/90/38/44/375903844.db2.gz ZZLOKQKMZLRPFT-JSGCOSHPSA-N 1 1 290.432 3.186 20 30 CGEDMO C=CC[N@H+](C)CC1(O)CCC(c2ccccc2)CC1 ZINC000528466727 375903999 /nfs/dbraw/zinc/90/39/99/375903999.db2.gz VZZHMIONPDGXOU-UHFFFAOYSA-N 1 1 259.393 3.193 20 30 CGEDMO CC[N@@H+](C[C@H]1CCCOC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000336822943 375978427 /nfs/dbraw/zinc/97/84/27/375978427.db2.gz NNHJJGUKJBOSKT-GOEBONIOSA-N 1 1 272.392 3.368 20 30 CGEDMO C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000336859263 376015545 /nfs/dbraw/zinc/01/55/45/376015545.db2.gz GFYXDDSZAXMPFF-KFWWJZLASA-N 1 1 299.418 3.253 20 30 CGEDMO CC(C)[C@@H]1CCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000337128139 376087354 /nfs/dbraw/zinc/08/73/54/376087354.db2.gz HMOZOHNJOJVGJX-HNNXBMFYSA-N 1 1 264.413 3.207 20 30 CGEDMO CC[N@@H+](CCCC1(C#N)CCOCC1)[C@H](C)C(C)C ZINC000337138246 376095089 /nfs/dbraw/zinc/09/50/89/376095089.db2.gz OVARXIJELKNBFD-OAHLLOKOSA-N 1 1 266.429 3.453 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337137122 376095175 /nfs/dbraw/zinc/09/51/75/376095175.db2.gz PKOBOSWZAMQOMX-GASCZTMLSA-N 1 1 264.413 3.065 20 30 CGEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2CCC(C)C)C1=O ZINC000337176079 376114866 /nfs/dbraw/zinc/11/48/66/376114866.db2.gz IMKZWLLYFLHJTL-HZPDHXFCSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1C)C1CC1 ZINC000536744456 376128014 /nfs/dbraw/zinc/12/80/14/376128014.db2.gz BWDUWKGNOIFMGN-UHFFFAOYSA-N 1 1 278.783 3.237 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1ccc(Cl)cc1C)C1CC1 ZINC000536744456 376128022 /nfs/dbraw/zinc/12/80/22/376128022.db2.gz BWDUWKGNOIFMGN-UHFFFAOYSA-N 1 1 278.783 3.237 20 30 CGEDMO C[N@@H+](CCCC1(C#N)CCOCC1)C[C@H]1CC=CCC1 ZINC000337212916 376141376 /nfs/dbraw/zinc/14/13/76/376141376.db2.gz VWDZPYQLSKHHNE-INIZCTEOSA-N 1 1 276.424 3.375 20 30 CGEDMO N#Cc1cccc(OCCCn2c[nH+]c3c2CCCC3)c1 ZINC000216690454 376166338 /nfs/dbraw/zinc/16/63/38/376166338.db2.gz FGDMOWQRKGLFCG-UHFFFAOYSA-N 1 1 281.359 3.103 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCOC3(CCCC3)C2)cc1 ZINC000537615636 376180973 /nfs/dbraw/zinc/18/09/73/376180973.db2.gz MBSJZNDEVXJODU-UHFFFAOYSA-N 1 1 287.403 3.396 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000337469673 376222862 /nfs/dbraw/zinc/22/28/62/376222862.db2.gz UREQWJUXFOWBQF-AWEZNQCLSA-N 1 1 273.380 3.029 20 30 CGEDMO CCC[N@@H+](CCC(C)(C)C#N)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000538466535 376243634 /nfs/dbraw/zinc/24/36/34/376243634.db2.gz LTTCNZLGSIJBJP-KFWWJZLASA-N 1 1 278.440 3.452 20 30 CGEDMO C=C(CC)C[N@@H+](Cc1ccccc1)[C@H](CO)C(C)C ZINC000540202131 376365833 /nfs/dbraw/zinc/36/58/33/376365833.db2.gz LIUHBKSEDXMAPS-QGZVFWFLSA-N 1 1 261.409 3.472 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H](C)[C@@H]1C ZINC000227269875 376385905 /nfs/dbraw/zinc/38/59/05/376385905.db2.gz HZZGQQGAAFHHTR-STQMWFEESA-N 1 1 258.365 3.187 20 30 CGEDMO CC[C@H]1CO[C@@H](C)C[N@H+]1CCCCC(C)(C)C#N ZINC000234052817 376610827 /nfs/dbraw/zinc/61/08/27/376610827.db2.gz MTPQIBIJZWNBHG-KBPBESRZSA-N 1 1 252.402 3.206 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@H](C)[C@@H]2C)ccc1C#N ZINC000234978836 376627625 /nfs/dbraw/zinc/62/76/25/376627625.db2.gz DPTBLVKRDZLCJP-STQMWFEESA-N 1 1 258.365 3.187 20 30 CGEDMO C=CCOCC[N@H+](C)[C@H](COC)c1ccc(Cl)cc1 ZINC000339135742 376701724 /nfs/dbraw/zinc/70/17/24/376701724.db2.gz KLCMCYJWTWDBFB-OAHLLOKOSA-N 1 1 283.799 3.162 20 30 CGEDMO C[C@@H](C#N)C[N@H+](C[C@@H](C)Cc1ccccc1)C1CC1 ZINC000544405910 376732121 /nfs/dbraw/zinc/73/21/21/376732121.db2.gz VKZPUFLESCPYFT-GJZGRUSLSA-N 1 1 256.393 3.489 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000339381796 376749340 /nfs/dbraw/zinc/74/93/40/376749340.db2.gz ZDOGBOZKWQETGE-AWEZNQCLSA-N 1 1 263.356 3.208 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](CC3CC3)C2)c1 ZINC000339673277 376799235 /nfs/dbraw/zinc/79/92/35/376799235.db2.gz GAXLYMAZKDVDHS-AWEZNQCLSA-N 1 1 258.340 3.319 20 30 CGEDMO Cc1cc(C[N@@H+]2CCC[C@](CO)(C(C)C)C2)ccc1C#N ZINC000339712360 376820003 /nfs/dbraw/zinc/82/00/03/376820003.db2.gz QSOTWJJOHXADQW-SFHVURJKSA-N 1 1 286.419 3.097 20 30 CGEDMO C=CCCN1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246238082 376995297 /nfs/dbraw/zinc/99/52/97/376995297.db2.gz UIKLBNTXNABWIZ-CVEARBPZSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CCCN1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246238082 376995302 /nfs/dbraw/zinc/99/53/02/376995302.db2.gz UIKLBNTXNABWIZ-CVEARBPZSA-N 1 1 250.430 3.149 20 30 CGEDMO N#Cc1cccc(C2([NH2+]Cc3ccc4nc[nH]c4c3)CC2)c1 ZINC000560069600 377118237 /nfs/dbraw/zinc/11/82/37/377118237.db2.gz ASUMUWVZKOBFCT-UHFFFAOYSA-N 1 1 288.354 3.213 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000246925469 377122122 /nfs/dbraw/zinc/12/21/22/377122122.db2.gz FMCABGZBRSBVPC-UAGQMJEPSA-N 1 1 259.393 3.192 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000247641123 377229004 /nfs/dbraw/zinc/22/90/04/377229004.db2.gz VQUYMTJSOAFZJP-PVAVHDDUSA-N 1 1 259.393 3.192 20 30 CGEDMO C=CCOc1ccccc1CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000248012436 377258789 /nfs/dbraw/zinc/25/87/89/377258789.db2.gz LKQXFZMWMOTOAR-ZMSDIMECSA-N 1 1 288.435 3.070 20 30 CGEDMO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)[C@@H]2CCCC[C@H]21 ZINC000248450531 377321522 /nfs/dbraw/zinc/32/15/22/377321522.db2.gz YBIFWPZEGCXGKC-XOKHGSTOSA-N 1 1 297.402 3.007 20 30 CGEDMO CC[N@H+]1CC[C@@H](N(C)Cc2cccc(C#N)c2F)C[C@H]1C ZINC000340921711 377322015 /nfs/dbraw/zinc/32/20/15/377322015.db2.gz WLRRNBDZDMSZMP-CZUORRHYSA-N 1 1 289.398 3.002 20 30 CGEDMO CCC[N@@H+](CC)C[C@@H](C)N[C@H](C)c1ccc(C#N)cc1F ZINC000562907259 377372094 /nfs/dbraw/zinc/37/20/94/377372094.db2.gz LUODHUKKLIHIJJ-ZIAGYGMSSA-N 1 1 291.414 3.468 20 30 CGEDMO Cc1cnccc1CC[N@@H+](CCC#N)CC(C)(C)C ZINC000563045457 377393270 /nfs/dbraw/zinc/39/32/70/377393270.db2.gz PNKYFNLAJXHNFW-UHFFFAOYSA-N 1 1 259.397 3.194 20 30 CGEDMO C#CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000248742939 377394358 /nfs/dbraw/zinc/39/43/58/377394358.db2.gz ALTDIPCUSNCUAG-LDLYASANSA-N 1 1 282.431 3.185 20 30 CGEDMO Cc1ccccc1[C@H]1C[N@H+]([C@H](C)CCC#N)CCO1 ZINC000563794424 377472241 /nfs/dbraw/zinc/47/22/41/377472241.db2.gz BNLKRHSEOJUQGZ-GDBMZVCRSA-N 1 1 258.365 3.061 20 30 CGEDMO Cc1ccccc1[C@H]1C[N@@H+]([C@H](C)CCC#N)CCO1 ZINC000563794424 377472250 /nfs/dbraw/zinc/47/22/50/377472250.db2.gz BNLKRHSEOJUQGZ-GDBMZVCRSA-N 1 1 258.365 3.061 20 30 CGEDMO C=CCCCCN1CC[N@H+](C)CC12CCCCC2 ZINC000564288795 377475426 /nfs/dbraw/zinc/47/54/26/377475426.db2.gz UYOVWLMQPVYWTJ-UHFFFAOYSA-N 1 1 250.430 3.293 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CC[C@@H](c3ccncc3)C2)cc1 ZINC000564402078 377475667 /nfs/dbraw/zinc/47/56/67/377475667.db2.gz BGFGRWPBAIEKDX-QGZVFWFLSA-N 1 1 280.346 3.062 20 30 CGEDMO CCOC[C@@H]1CCC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000249262636 377482910 /nfs/dbraw/zinc/48/29/10/377482910.db2.gz HZZKECYEMZANQL-GDBMZVCRSA-N 1 1 272.392 3.368 20 30 CGEDMO CC#CC[N@H+](C)Cc1cc(C)ccc1OC(F)F ZINC000566574732 377498743 /nfs/dbraw/zinc/49/87/43/377498743.db2.gz KLMJUFCCUPGZON-UHFFFAOYSA-N 1 1 253.292 3.052 20 30 CGEDMO CC#CC[N@@H+](C)Cc1cc(C)ccc1OC(F)F ZINC000566574732 377498752 /nfs/dbraw/zinc/49/87/52/377498752.db2.gz KLMJUFCCUPGZON-UHFFFAOYSA-N 1 1 253.292 3.052 20 30 CGEDMO C=CCCCC[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000569796000 377530513 /nfs/dbraw/zinc/53/05/13/377530513.db2.gz CLIKRHZBFKKTGC-AWEZNQCLSA-N 1 1 251.395 3.478 20 30 CGEDMO C=CCCCC[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000569796000 377530522 /nfs/dbraw/zinc/53/05/22/377530522.db2.gz CLIKRHZBFKKTGC-AWEZNQCLSA-N 1 1 251.395 3.478 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000514738275 249187793 /nfs/dbraw/zinc/18/77/93/249187793.db2.gz XGYIYLHSLKIMOI-OAHLLOKOSA-N 1 1 281.334 3.082 20 30 CGEDMO Cc1noc([C@@H]2CCC[N@H+]([C@@H](C)c3ccc(C#N)cc3)C2)n1 ZINC000265475183 190185015 /nfs/dbraw/zinc/18/50/15/190185015.db2.gz JYNWDHUMLHGUEE-BLLLJJGKSA-N 1 1 296.374 3.190 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cn1)[C@H]1CCc2ccccc21 ZINC000574018808 377607969 /nfs/dbraw/zinc/60/79/69/377607969.db2.gz GNSARJOHJDSMOO-KRWDZBQOSA-N 1 1 263.344 3.073 20 30 CGEDMO CCc1cc(OC)ccc1C[N@H+](C)CC(C)(C)C#N ZINC000574062213 377614450 /nfs/dbraw/zinc/61/44/50/377614450.db2.gz NQPNLHXKSPGXBU-UHFFFAOYSA-N 1 1 260.381 3.239 20 30 CGEDMO CCc1cc(OC)ccc1C[N@@H+](C)CC(C)(C)C#N ZINC000574062213 377614453 /nfs/dbraw/zinc/61/44/53/377614453.db2.gz NQPNLHXKSPGXBU-UHFFFAOYSA-N 1 1 260.381 3.239 20 30 CGEDMO N#CCCCC[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253099960 377676193 /nfs/dbraw/zinc/67/61/93/377676193.db2.gz VUYQTIOCDNXZPJ-BZUAXINKSA-N 1 1 264.413 3.086 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000265833260 190211060 /nfs/dbraw/zinc/21/10/60/190211060.db2.gz QPXMAOVUSXIXHJ-UHFFFAOYSA-N 1 1 286.297 3.152 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)N[C@@H](CCC)c1ccccc1 ZINC000342739979 377765735 /nfs/dbraw/zinc/76/57/35/377765735.db2.gz XSZHLWWUDPWPJY-INIZCTEOSA-N 1 1 274.408 3.152 20 30 CGEDMO CC(C)Oc1cccc([C@@H](C)[NH2+]CC2(C#N)CC2)c1 ZINC000343586270 378028713 /nfs/dbraw/zinc/02/87/13/378028713.db2.gz ZDGPOQLVLLHRRO-CYBMUJFWSA-N 1 1 258.365 3.428 20 30 CGEDMO C=CCC(CC=C)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000343613587 378041790 /nfs/dbraw/zinc/04/17/90/378041790.db2.gz OGAPUUQEPZVSRP-GASCZTMLSA-N 1 1 278.440 3.134 20 30 CGEDMO CCOc1ccccc1[C@@H](CC)[NH2+]CC1(C#N)CC1 ZINC000343571572 378025707 /nfs/dbraw/zinc/02/57/07/378025707.db2.gz BKIQNZJRRKAYTB-CQSZACIVSA-N 1 1 258.365 3.430 20 30 CGEDMO CC(C)(C)[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000268672890 378089144 /nfs/dbraw/zinc/08/91/44/378089144.db2.gz KNZBFSSPTBPWBY-HZPDHXFCSA-N 1 1 272.392 3.102 20 30 CGEDMO CC(C)(C)[C@H]1CCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000268672891 378089169 /nfs/dbraw/zinc/08/91/69/378089169.db2.gz KNZBFSSPTBPWBY-JKSUJKDBSA-N 1 1 272.392 3.102 20 30 CGEDMO Cc1cc([C@@H]2CCC[N@H+]2CCOc2ccccc2C#N)on1 ZINC000345202562 378222594 /nfs/dbraw/zinc/22/25/94/378222594.db2.gz BLUROYXBKFRGSN-HNNXBMFYSA-N 1 1 297.358 3.071 20 30 CGEDMO CC[N@H+]1C[C@H](C)N(c2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000345161090 378209023 /nfs/dbraw/zinc/20/90/23/378209023.db2.gz JOOWTYOFUCOGSO-NEPJUHHUSA-N 1 1 277.799 3.131 20 30 CGEDMO C[N@@H+](CCSc1cccnc1C#N)Cc1ccccc1 ZINC000583641559 378336582 /nfs/dbraw/zinc/33/65/82/378336582.db2.gz UNUMWMOEXMIVCH-UHFFFAOYSA-N 1 1 283.400 3.177 20 30 CGEDMO COc1cc(C)[nH+]c(CN(CCC#N)CC(C)(C)C)c1 ZINC000270346987 378339206 /nfs/dbraw/zinc/33/92/06/378339206.db2.gz VOAYKTCYHOVVRH-UHFFFAOYSA-N 1 1 275.396 3.160 20 30 CGEDMO C=CCCCCC[N@H+](C)CC(=O)N[C@H]1CCCC[C@@H]1C ZINC000583721674 378341529 /nfs/dbraw/zinc/34/15/29/378341529.db2.gz JSHKXMSXNSQEJS-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO COC(C)(C)C[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000582227705 378294617 /nfs/dbraw/zinc/29/46/17/378294617.db2.gz HXOFEYYLDRUWKV-UHFFFAOYSA-N 1 1 252.402 3.207 20 30 CGEDMO C#CCC[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000270677353 378386437 /nfs/dbraw/zinc/38/64/37/378386437.db2.gz YBCBLFYZBFNJAO-ZDUSSCGKSA-N 1 1 274.433 3.225 20 30 CGEDMO CCC(CC)C[N@H+](CCC#N)CCCn1ccnc1C ZINC000270712112 378391737 /nfs/dbraw/zinc/39/17/37/378391737.db2.gz ZVTWUNAMNHIYAI-UHFFFAOYSA-N 1 1 276.428 3.234 20 30 CGEDMO C#CCCC[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000271080602 378448945 /nfs/dbraw/zinc/44/89/45/378448945.db2.gz YJMQIJZTBNXKPX-UHFFFAOYSA-N 1 1 253.292 3.133 20 30 CGEDMO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000271443944 378493930 /nfs/dbraw/zinc/49/39/30/378493930.db2.gz CEIOTWUGYYYJCO-IUODEOHRSA-N 1 1 296.374 3.371 20 30 CGEDMO COCC[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccco1 ZINC000272396937 378628434 /nfs/dbraw/zinc/62/84/34/378628434.db2.gz AOGTYVPGJYKRPO-ZDUSSCGKSA-N 1 1 276.361 3.080 20 30 CGEDMO C[C@@H](Nc1cccc(C#N)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272649537 378682711 /nfs/dbraw/zinc/68/27/11/378682711.db2.gz AJVUHNKUPABOSF-KGLIPLIRSA-N 1 1 284.407 3.018 20 30 CGEDMO C=C[C@H](CC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000272677149 378687246 /nfs/dbraw/zinc/68/72/46/378687246.db2.gz KDBBPNARJWHXGS-HZPDHXFCSA-N 1 1 298.430 3.113 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(NC(C)=O)cc1 ZINC000272706335 378692021 /nfs/dbraw/zinc/69/20/21/378692021.db2.gz ZSAVYUZDVHAMBZ-UHFFFAOYSA-N 1 1 298.386 3.469 20 30 CGEDMO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)CCCC#N ZINC000346612808 378646157 /nfs/dbraw/zinc/64/61/57/378646157.db2.gz QZOJWJAIMZBHSP-INIZCTEOSA-N 1 1 258.365 3.308 20 30 CGEDMO CCOCCC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000347960663 378740576 /nfs/dbraw/zinc/74/05/76/378740576.db2.gz QRFMZRAIGORROS-UHFFFAOYSA-N 1 1 270.376 3.074 20 30 CGEDMO C=CCOCCC[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000348049015 378766141 /nfs/dbraw/zinc/76/61/41/378766141.db2.gz HYCPIPHRKFPYJQ-SFHVURJKSA-N 1 1 288.435 3.482 20 30 CGEDMO C=CCOCCC[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000348065479 378774034 /nfs/dbraw/zinc/77/40/34/378774034.db2.gz ZYRNMQVBMOMPTE-UHFFFAOYSA-N 1 1 270.376 3.119 20 30 CGEDMO C=C(C)C[N@H+](CC(=O)N1CCCCC1)Cc1ccccc1 ZINC000348227256 378848808 /nfs/dbraw/zinc/84/88/08/378848808.db2.gz LAAUNIBZBQXDLM-UHFFFAOYSA-N 1 1 286.419 3.077 20 30 CGEDMO C=C(C)C[N@@H+](CC(=O)N1CCCCC1)Cc1ccccc1 ZINC000348227256 378848814 /nfs/dbraw/zinc/84/88/14/378848814.db2.gz LAAUNIBZBQXDLM-UHFFFAOYSA-N 1 1 286.419 3.077 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]Cc1cnc(OC)s1 ZINC000638616516 378852685 /nfs/dbraw/zinc/85/26/85/378852685.db2.gz MJOHPLQWERCGGO-UHFFFAOYSA-N 1 1 290.388 3.006 20 30 CGEDMO Cc1ccc(C#N)c(NC[C@@H]2CCCC[N@@H+]2CC(C)C)n1 ZINC000346856914 218038041 /nfs/dbraw/zinc/03/80/41/218038041.db2.gz XCYNUIJOTAWDML-INIZCTEOSA-N 1 1 286.423 3.184 20 30 CGEDMO Cc1ccc(C#N)c(NC[C@H]2CCCC[N@@H+]2CC(C)C)n1 ZINC000346856918 218038577 /nfs/dbraw/zinc/03/85/77/218038577.db2.gz XCYNUIJOTAWDML-MRXNPFEDSA-N 1 1 286.423 3.184 20 30 CGEDMO CCC1(CC)C[N@@H+](Cc2cc(C#N)n(C)c2)CCS1 ZINC000276772443 378994295 /nfs/dbraw/zinc/99/42/95/378994295.db2.gz OSOCQIJHVVVXSF-UHFFFAOYSA-N 1 1 277.437 3.004 20 30 CGEDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cc(C#N)cs1 ZINC000348548283 378989222 /nfs/dbraw/zinc/98/92/22/378989222.db2.gz QKSUHQZNSNEUBC-OCCSQVGLSA-N 1 1 278.421 3.135 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c1 ZINC000278628967 194075106 /nfs/dbraw/zinc/07/51/06/194075106.db2.gz GHYSNPACSHITBY-CYBMUJFWSA-N 1 1 268.282 3.333 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)s1 ZINC000370718421 379060803 /nfs/dbraw/zinc/06/08/03/379060803.db2.gz CHFTZGFBDZKRJJ-AWEZNQCLSA-N 1 1 283.400 3.079 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1F)CC1(O)CCCC1 ZINC000348971890 379126665 /nfs/dbraw/zinc/12/66/65/379126665.db2.gz ZNWFLZFUDUNPLE-UHFFFAOYSA-N 1 1 263.356 3.119 20 30 CGEDMO CCOC1CC([N@@H+](C)Cc2ccc(C#N)cc2Cl)C1 ZINC000347466382 218245903 /nfs/dbraw/zinc/24/59/03/218245903.db2.gz PPOPTJCQMLPYBQ-UHFFFAOYSA-N 1 1 278.783 3.211 20 30 CGEDMO C=C(C)C[N@@H+](C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000371566405 379168063 /nfs/dbraw/zinc/16/80/63/379168063.db2.gz UOBMSTPVXWKGRN-UHFFFAOYSA-N 1 1 294.439 3.426 20 30 CGEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCCC34CCC4)o2)cc1 ZINC000373105662 379222259 /nfs/dbraw/zinc/22/22/59/379222259.db2.gz ZCIWWOOGEHPOOX-UHFFFAOYSA-N 1 1 294.358 3.127 20 30 CGEDMO Cn1cc(C[N@H+]2CC[C@@](C)(c3ccc(F)cc3)C2)cc1C#N ZINC000373609636 379307548 /nfs/dbraw/zinc/30/75/48/379307548.db2.gz LSXSXXQCYNULFX-GOSISDBHSA-N 1 1 297.377 3.199 20 30 CGEDMO N#CCCC[N@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000375228198 379488139 /nfs/dbraw/zinc/48/81/39/379488139.db2.gz FRIGSTXXXCMBSR-UHFFFAOYSA-N 1 1 262.303 3.358 20 30 CGEDMO N#CCCC[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000375228198 379488148 /nfs/dbraw/zinc/48/81/48/379488148.db2.gz FRIGSTXXXCMBSR-UHFFFAOYSA-N 1 1 262.303 3.358 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000375962776 379516699 /nfs/dbraw/zinc/51/66/99/379516699.db2.gz PDRQJRODVHOBJR-QGZVFWFLSA-N 1 1 290.382 3.049 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cnc2n[nH]c(C)c2c1 ZINC000351586297 379730047 /nfs/dbraw/zinc/73/00/47/379730047.db2.gz VNFKNQFCDPPYMY-UHFFFAOYSA-N 1 1 292.386 3.455 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000351750838 379741799 /nfs/dbraw/zinc/74/17/99/379741799.db2.gz BSRIINNAZQBJLT-HNNXBMFYSA-N 1 1 255.365 3.249 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)cc1 ZINC000352377871 379786709 /nfs/dbraw/zinc/78/67/09/379786709.db2.gz ZMPXDSCBURJHFJ-SJORKVTESA-N 1 1 273.376 3.005 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCO[C@H]3CCC[C@H]32)cc1 ZINC000352377871 379786716 /nfs/dbraw/zinc/78/67/16/379786716.db2.gz ZMPXDSCBURJHFJ-SJORKVTESA-N 1 1 273.376 3.005 20 30 CGEDMO C[N@@H+](CCCCC#N)CCCOCc1ccccc1 ZINC000281329831 379830605 /nfs/dbraw/zinc/83/06/05/379830605.db2.gz JJAYZXVXSZBZSO-UHFFFAOYSA-N 1 1 260.381 3.219 20 30 CGEDMO CC1(C)C[N@@H+](CCOc2ccc(C#N)cc2)[C@H]2CCC[C@@H]21 ZINC000378825102 379858042 /nfs/dbraw/zinc/85/80/42/379858042.db2.gz HDPXCMNZOAKWJL-IRXDYDNUSA-N 1 1 284.403 3.448 20 30 CGEDMO CC1(C)C[N@@H+](CCOc2cccc(C#N)c2)[C@@H]2CCC[C@H]21 ZINC000378844478 379858948 /nfs/dbraw/zinc/85/89/48/379858948.db2.gz QSQFKZPXFHIKQD-IAGOWNOFSA-N 1 1 284.403 3.448 20 30 CGEDMO C=C1CC[NH+](Cc2ccnn2-c2ccccc2OC)CC1 ZINC000281115959 379818116 /nfs/dbraw/zinc/81/81/16/379818116.db2.gz MGHWTLLLICOVPW-UHFFFAOYSA-N 1 1 283.375 3.033 20 30 CGEDMO N#CC1(F)CC[NH+](Cc2cccc(C(F)F)c2)CC1 ZINC000352451532 379820822 /nfs/dbraw/zinc/82/08/22/379820822.db2.gz WVAXWKNKKMDPHP-UHFFFAOYSA-N 1 1 268.282 3.452 20 30 CGEDMO N#CC1(F)CC[NH+](Cc2cccc(OC(F)F)c2)CC1 ZINC000352458183 379823451 /nfs/dbraw/zinc/82/34/51/379823451.db2.gz HBBKSEKYRZSIPS-UHFFFAOYSA-N 1 1 284.281 3.116 20 30 CGEDMO C[N@@H+](CCCOCc1ccccc1)[C@@H]1CCC[C@H]1C#N ZINC000384287728 379874525 /nfs/dbraw/zinc/87/45/25/379874525.db2.gz UBYPIUUNCGOZGZ-DLBZAZTESA-N 1 1 272.392 3.217 20 30 CGEDMO CC(C)O[C@H]1CCC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000404711702 379982403 /nfs/dbraw/zinc/98/24/03/379982403.db2.gz RKRQZSIJSNRIAB-KRWDZBQOSA-N 1 1 272.392 3.142 20 30 CGEDMO Cc1cccc([C@@H](C)[NH2+]Cc2nc(C#N)cs2)c1C ZINC000352837599 379992324 /nfs/dbraw/zinc/99/23/24/379992324.db2.gz OHNZISUIUBNNEZ-GFCCVEGCSA-N 1 1 271.389 3.482 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](CC(=C)C)Cc1cnn(C(C)C)c1 ZINC000352903265 380029186 /nfs/dbraw/zinc/02/91/86/380029186.db2.gz PIPOGRRKCFGYRY-KRWDZBQOSA-N 1 1 291.439 3.169 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000353027196 380081419 /nfs/dbraw/zinc/08/14/19/380081419.db2.gz MKVYSBWFUMKJEG-WCQYABFASA-N 1 1 280.318 3.180 20 30 CGEDMO C[C@@H]1[N@@H+](CCC2(C#N)CCCCC2)CCOC1(C)C ZINC000411340837 380141564 /nfs/dbraw/zinc/14/15/64/380141564.db2.gz ASJOSSOUVRKBJE-AWEZNQCLSA-N 1 1 264.413 3.350 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1ccc(OC)c(OC)c1Cl ZINC000353163818 380149442 /nfs/dbraw/zinc/14/94/42/380149442.db2.gz OGOYYFXFKHNVIA-UHFFFAOYSA-N 1 1 269.772 3.365 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(OC)c(OC)c1Cl ZINC000353163818 380149448 /nfs/dbraw/zinc/14/94/48/380149448.db2.gz OGOYYFXFKHNVIA-UHFFFAOYSA-N 1 1 269.772 3.365 20 30 CGEDMO CCOC(=O)[C@@H]1CCCC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411157291 380130675 /nfs/dbraw/zinc/13/06/75/380130675.db2.gz LWALDOHZDLPGNP-HNNXBMFYSA-N 1 1 292.423 3.268 20 30 CGEDMO CCOC(=O)[C@@H]1CCCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411157291 380130681 /nfs/dbraw/zinc/13/06/81/380130681.db2.gz LWALDOHZDLPGNP-HNNXBMFYSA-N 1 1 292.423 3.268 20 30 CGEDMO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2ccc(C#N)cc2F)C1(C)C ZINC000353948070 380249567 /nfs/dbraw/zinc/24/95/67/380249567.db2.gz RFFXJMPVJUAWQT-RDJZCZTQSA-N 1 1 290.382 3.333 20 30 CGEDMO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000414310113 380211489 /nfs/dbraw/zinc/21/14/89/380211489.db2.gz WBBRMFIYEPLVIN-GUDVDZBRSA-N 1 1 284.447 3.390 20 30 CGEDMO N#CCCC[C@H]([NH2+]Cc1cocn1)c1ccccc1 ZINC000353917997 380234194 /nfs/dbraw/zinc/23/41/94/380234194.db2.gz WQARRPLKHJFBBO-HNNXBMFYSA-N 1 1 255.321 3.199 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000354099799 380322598 /nfs/dbraw/zinc/32/25/98/380322598.db2.gz HQHMWNUDENVYQL-IRXDYDNUSA-N 1 1 287.403 3.110 20 30 CGEDMO Cn1cc(-c2ccc(C[N@H+](C)CC(C)(C)C#N)s2)cn1 ZINC000354017283 380280976 /nfs/dbraw/zinc/28/09/76/380280976.db2.gz ITTNQTQHOKBUFA-UHFFFAOYSA-N 1 1 288.420 3.130 20 30 CGEDMO Cn1cc(-c2ccc(C[N@@H+](C)CC(C)(C)C#N)s2)cn1 ZINC000354017283 380280982 /nfs/dbraw/zinc/28/09/82/380280982.db2.gz ITTNQTQHOKBUFA-UHFFFAOYSA-N 1 1 288.420 3.130 20 30 CGEDMO CC(C)Oc1cccc(C[N@H+](C)CC(C)(C)C#N)c1 ZINC000354041258 380294825 /nfs/dbraw/zinc/29/48/25/380294825.db2.gz SGLIJGVYWFLTHH-UHFFFAOYSA-N 1 1 260.381 3.455 20 30 CGEDMO CC(C)Oc1cccc(C[N@@H+](C)CC(C)(C)C#N)c1 ZINC000354041258 380294830 /nfs/dbraw/zinc/29/48/30/380294830.db2.gz SGLIJGVYWFLTHH-UHFFFAOYSA-N 1 1 260.381 3.455 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000644786065 380511102 /nfs/dbraw/zinc/51/11/02/380511102.db2.gz BOGDQEOIQLYCDN-GJZGRUSLSA-N 1 1 297.851 3.443 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000355200775 380619973 /nfs/dbraw/zinc/61/99/73/380619973.db2.gz NMRLKSAWDIUYBH-RDTXWAMCSA-N 1 1 287.403 3.251 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000355200775 380619981 /nfs/dbraw/zinc/61/99/81/380619981.db2.gz NMRLKSAWDIUYBH-RDTXWAMCSA-N 1 1 287.403 3.251 20 30 CGEDMO C=CC[N@H+](Cc1cc(C)nn1C)CC1CCCCC1 ZINC000417767447 380674329 /nfs/dbraw/zinc/67/43/29/380674329.db2.gz BSAMUVZTZBNRTL-UHFFFAOYSA-N 1 1 261.413 3.297 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cncn1CC)Cc1ccccc1 ZINC000418032788 380694436 /nfs/dbraw/zinc/69/44/36/380694436.db2.gz QGMGQMBHGAKQEN-UHFFFAOYSA-N 1 1 269.392 3.481 20 30 CGEDMO C=C(C)C[N@H+](Cc1cncn1CC)Cc1ccccc1 ZINC000418032788 380694443 /nfs/dbraw/zinc/69/44/43/380694443.db2.gz QGMGQMBHGAKQEN-UHFFFAOYSA-N 1 1 269.392 3.481 20 30 CGEDMO COc1cc(C#N)cc(OCC[N@@H+](C)Cc2ccccc2)c1 ZINC000418960167 380753069 /nfs/dbraw/zinc/75/30/69/380753069.db2.gz FRFZNRSFNFLZLM-UHFFFAOYSA-N 1 1 296.370 3.078 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000355667924 380744505 /nfs/dbraw/zinc/74/45/05/380744505.db2.gz FDGPCIWUGQKPBZ-QGZVFWFLSA-N 1 1 259.393 3.022 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCC[C@@H]1C ZINC000355683730 380750437 /nfs/dbraw/zinc/75/04/37/380750437.db2.gz OABGLMNUFPMFMB-WMLDXEAASA-N 1 1 272.392 3.195 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCSC[C@H]2C2CCC2)cc1F ZINC000419369721 380818319 /nfs/dbraw/zinc/81/83/19/380818319.db2.gz FXNOXESEYQLOFI-INIZCTEOSA-N 1 1 290.407 3.415 20 30 CGEDMO CN(Cc1ccccc1C(C)(C)C#N)C[C@H]1CCC[N@H+]1C ZINC000420996188 380865452 /nfs/dbraw/zinc/86/54/52/380865452.db2.gz FKCRPBVRZVMGSY-MRXNPFEDSA-N 1 1 285.435 3.014 20 30 CGEDMO CN1CCC[C@@H]1C[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000420996188 380865458 /nfs/dbraw/zinc/86/54/58/380865458.db2.gz FKCRPBVRZVMGSY-MRXNPFEDSA-N 1 1 285.435 3.014 20 30 CGEDMO CN1CCC[C@@H]1C[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000420996188 380865465 /nfs/dbraw/zinc/86/54/65/380865465.db2.gz FKCRPBVRZVMGSY-MRXNPFEDSA-N 1 1 285.435 3.014 20 30 CGEDMO Cc1[nH]ncc1C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000358148702 381293579 /nfs/dbraw/zinc/29/35/79/381293579.db2.gz FAAWQIQDJXNNRX-UHFFFAOYSA-N 1 1 294.402 3.212 20 30 CGEDMO C=C(CC)C[N@@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000358496020 381311431 /nfs/dbraw/zinc/31/14/31/381311431.db2.gz IYRXRFXPFXVANE-UGSOOPFHSA-N 1 1 265.422 3.383 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)Cc1ccc(F)cc1 ZINC000359884040 381379574 /nfs/dbraw/zinc/37/95/74/381379574.db2.gz YWLCHOLRYXHAOR-UHFFFAOYSA-N 1 1 264.388 3.156 20 30 CGEDMO CC[N@H+]1C[C@@H](C)N(Cc2ccc(Cl)cc2C#N)C[C@H]1C ZINC000360115289 381452690 /nfs/dbraw/zinc/45/26/90/381452690.db2.gz LLJNPNOADROJHK-CHWSQXEVSA-N 1 1 291.826 3.126 20 30 CGEDMO C[C@H](CO)[N@H+](Cc1ccc(Cl)cc1C#N)CC1CCC1 ZINC000361493169 381773298 /nfs/dbraw/zinc/77/32/98/381773298.db2.gz QGBHCLBBLVAGOB-GFCCVEGCSA-N 1 1 292.810 3.195 20 30 CGEDMO C=CCCC[C@H](C)[NH+]1CCC(c2nc(CC)n[nH]2)CC1 ZINC000362079919 381882307 /nfs/dbraw/zinc/88/23/07/381882307.db2.gz VXFWFFDYSLGMRJ-ZDUSSCGKSA-N 1 1 276.428 3.291 20 30 CGEDMO C=CCCC[C@H](C)[NH+]1CCC(c2n[nH]c(CC)n2)CC1 ZINC000362079919 381882309 /nfs/dbraw/zinc/88/23/09/381882309.db2.gz VXFWFFDYSLGMRJ-ZDUSSCGKSA-N 1 1 276.428 3.291 20 30 CGEDMO C[N@H+](CCCCC#N)Cc1nccn1Cc1ccccc1 ZINC000362357954 381955129 /nfs/dbraw/zinc/95/51/29/381955129.db2.gz ITGLBYZTWBHOMC-UHFFFAOYSA-N 1 1 282.391 3.057 20 30 CGEDMO C[N@@H+](CCCCC#N)Cc1nccn1Cc1ccccc1 ZINC000362357954 381955136 /nfs/dbraw/zinc/95/51/36/381955136.db2.gz ITGLBYZTWBHOMC-UHFFFAOYSA-N 1 1 282.391 3.057 20 30 CGEDMO C=CC[N@H+](C)C1CCN(c2ccc(Cl)cc2)CC1 ZINC000365720418 382292259 /nfs/dbraw/zinc/29/22/59/382292259.db2.gz VBXXHAYHBCJMRM-UHFFFAOYSA-N 1 1 264.800 3.427 20 30 CGEDMO CC(C)[C@@H]1[N@@H+](Cc2cnc3ccc(C#N)cn23)CC1(C)C ZINC000353743219 220292819 /nfs/dbraw/zinc/29/28/19/220292819.db2.gz BOLBFUBZVDEVRQ-INIZCTEOSA-N 1 1 282.391 3.072 20 30 CGEDMO CO[C@]1(C)CCC[N@@H+](Cc2cc(C#N)cs2)CC1 ZINC000336465872 533369415 /nfs/dbraw/zinc/36/94/15/533369415.db2.gz IOYWDRRCFCJPRA-CQSZACIVSA-N 1 1 264.394 3.011 20 30 CGEDMO Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)ccc1C#N ZINC000449453919 533599844 /nfs/dbraw/zinc/59/98/44/533599844.db2.gz XZJOYIRUAVTRRZ-IPMKNSEASA-N 1 1 298.430 3.382 20 30 CGEDMO Cn1cc(C[N@H+](Cc2ccccc2F)C2CC2)cc1C#N ZINC000191189514 130198494 /nfs/dbraw/zinc/19/84/94/130198494.db2.gz KVSZLEWIHGKYMN-UHFFFAOYSA-N 1 1 283.350 3.200 20 30 CGEDMO Cn1cc(C[N@@H+](Cc2ccccc2F)C2CC2)cc1C#N ZINC000191189514 130198495 /nfs/dbraw/zinc/19/84/95/130198495.db2.gz KVSZLEWIHGKYMN-UHFFFAOYSA-N 1 1 283.350 3.200 20 30 CGEDMO CC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000037022564 391978117 /nfs/dbraw/zinc/97/81/17/391978117.db2.gz XPIASUOALWDKQK-OAHLLOKOSA-N 1 1 285.391 3.151 20 30 CGEDMO CCCOc1ccc(C[N@@H+](CCC#N)CC2CC2)c(O)c1 ZINC000093091500 392234438 /nfs/dbraw/zinc/23/44/38/392234438.db2.gz SHWHGAULIVAJHA-UHFFFAOYSA-N 1 1 288.391 3.307 20 30 CGEDMO CCC[N@H+](Cc1cc(C#N)cs1)C[C@H]1CCCCO1 ZINC000093132507 392235780 /nfs/dbraw/zinc/23/57/80/392235780.db2.gz UEVLKIRFNBOQBY-CQSZACIVSA-N 1 1 278.421 3.401 20 30 CGEDMO CCCO[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000108391569 392342202 /nfs/dbraw/zinc/34/22/02/392342202.db2.gz KARIEORTJCLVEZ-QGZVFWFLSA-N 1 1 272.392 3.339 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1coc(-c2ccccc2)n1 ZINC000286078595 392374548 /nfs/dbraw/zinc/37/45/48/392374548.db2.gz KABZNDOVKMOVGU-UHFFFAOYSA-N 1 1 254.333 3.185 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1coc(-c2ccccc2)n1 ZINC000286078595 392374552 /nfs/dbraw/zinc/37/45/52/392374552.db2.gz KABZNDOVKMOVGU-UHFFFAOYSA-N 1 1 254.333 3.185 20 30 CGEDMO C[N@@H+](Cc1ccccc1C#N)C[C@@H]1OCCc2ccccc21 ZINC000263698290 131311410 /nfs/dbraw/zinc/31/14/10/131311410.db2.gz LAXKUWRVEGCPHC-IBGZPJMESA-N 1 1 292.382 3.304 20 30 CGEDMO C[N@H+](Cc1ccccc1C#N)C[C@@H]1OCCc2ccccc21 ZINC000263698290 131311413 /nfs/dbraw/zinc/31/14/13/131311413.db2.gz LAXKUWRVEGCPHC-IBGZPJMESA-N 1 1 292.382 3.304 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@H]1OCCc2ccccc21 ZINC000263763329 131324968 /nfs/dbraw/zinc/32/49/68/131324968.db2.gz VHWWJGUCIPFOEW-LJQANCHMSA-N 1 1 292.382 3.304 20 30 CGEDMO CO[C@H]1CCC[N@H+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000363676232 392430573 /nfs/dbraw/zinc/43/05/73/392430573.db2.gz VQOKIOWTNFTKKG-CJNGLKHVSA-N 1 1 258.365 3.120 20 30 CGEDMO C[N@@H+](Cc1ccc(Cl)nc1)CC(C)(C)CCC#N ZINC000125773166 392440875 /nfs/dbraw/zinc/44/08/75/392440875.db2.gz LGOKFZARUYTGLI-UHFFFAOYSA-N 1 1 265.788 3.497 20 30 CGEDMO Clc1ccc(C#CC[N@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC000367052407 392462442 /nfs/dbraw/zinc/46/24/42/392462442.db2.gz AWZWHYNCGWOWAI-QGZVFWFLSA-N 1 1 289.806 3.194 20 30 CGEDMO C=CC[N@H+](CCCC(=O)OC)Cc1ccc(Cl)s1 ZINC000121021550 392406913 /nfs/dbraw/zinc/40/69/13/392406913.db2.gz OKSQGEFWEFNRGB-UHFFFAOYSA-N 1 1 287.812 3.343 20 30 CGEDMO Clc1cccc(C#CC[N@H+]2CC[C@H]([C@H]3CCOC3)C2)c1 ZINC000374412308 392677184 /nfs/dbraw/zinc/67/71/84/392677184.db2.gz RIKRKLZEYIKWBD-HOTGVXAUSA-N 1 1 289.806 3.050 20 30 CGEDMO Cc1cc(NC(=O)[C@H]2CCCOCC2)cn2cc[nH+]c12 ZINC000329510492 392686151 /nfs/dbraw/zinc/68/61/51/392686151.db2.gz BTRORIWJJAXLQE-LBPRGKRZSA-N 1 1 273.336 3.047 20 30 CGEDMO C#CC[N@@H+](Cc1cc[nH]c1)[C@H]1CCc2ccccc21 ZINC000179204499 392691232 /nfs/dbraw/zinc/69/12/32/392691232.db2.gz IBKDPPNTADOBAK-KRWDZBQOSA-N 1 1 250.345 3.137 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc(CC)cc1 ZINC000181243010 392723895 /nfs/dbraw/zinc/72/38/95/392723895.db2.gz MOLFEYHMNCUADL-CYBMUJFWSA-N 1 1 260.381 3.084 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(CC)cc1 ZINC000181243025 392724185 /nfs/dbraw/zinc/72/41/85/392724185.db2.gz MOLFEYHMNCUADL-ZDUSSCGKSA-N 1 1 260.381 3.084 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000181278819 392725998 /nfs/dbraw/zinc/72/59/98/392725998.db2.gz DBNQIMUGPWJDJL-ZDUSSCGKSA-N 1 1 294.826 3.367 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000181260429 392726104 /nfs/dbraw/zinc/72/61/04/392726104.db2.gz WXRFFMLWZSZLKW-QWHCGFSZSA-N 1 1 294.826 3.414 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000181278840 392726588 /nfs/dbraw/zinc/72/65/88/392726588.db2.gz DBNQIMUGPWJDJL-CYBMUJFWSA-N 1 1 294.826 3.367 20 30 CGEDMO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000334493792 392732289 /nfs/dbraw/zinc/73/22/89/392732289.db2.gz PMKNTKAJHQRPPW-SMDDNHRTSA-N 1 1 257.312 3.089 20 30 CGEDMO CC(C)CC[N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000179928648 392706018 /nfs/dbraw/zinc/70/60/18/392706018.db2.gz VLXROUKHZPHVLE-UHFFFAOYSA-N 1 1 296.418 3.437 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C)o1)Cc1ccc(C#N)cc1C ZINC000186257421 392780038 /nfs/dbraw/zinc/78/00/38/392780038.db2.gz NTJNTABYUDORJE-UHFFFAOYSA-N 1 1 298.386 3.417 20 30 CGEDMO COc1cccc2c1CC[N@@H+](Cc1ccc(C#N)cc1C)C2 ZINC000186325762 392783123 /nfs/dbraw/zinc/78/31/23/392783123.db2.gz CQSXHQMYGRKPBM-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@H+]2CCC(C)(C)C#N)C1 ZINC000338173364 392899904 /nfs/dbraw/zinc/89/99/04/392899904.db2.gz AJCTYHPPSMOWDU-WCVJEAGWSA-N 1 1 278.440 3.188 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000338197375 392901331 /nfs/dbraw/zinc/90/13/31/392901331.db2.gz SKIPKILHBAPKNZ-CAOSSQGBSA-N 1 1 251.414 3.214 20 30 CGEDMO C[C@@H](c1ccccc1)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000516232813 392864504 /nfs/dbraw/zinc/86/45/04/392864504.db2.gz VILIVRHWSXNDSE-ZDUSSCGKSA-N 1 1 251.333 3.146 20 30 CGEDMO C[C@H](c1cc2ccccc2o1)[N@@H+](C)CCOCCC#N ZINC000338879793 392934245 /nfs/dbraw/zinc/93/42/45/392934245.db2.gz HSKCLXDMJNIWCU-CYBMUJFWSA-N 1 1 272.348 3.356 20 30 CGEDMO CCC[N@@H+](CCOCCC#N)[C@H]1CCc2ccccc2C1 ZINC000338927550 392935974 /nfs/dbraw/zinc/93/59/74/392935974.db2.gz YHDVKEWPTBHQLA-SFHVURJKSA-N 1 1 286.419 3.186 20 30 CGEDMO C=CCOCC[N@H+](CC)[C@@H](C)Cc1ccsc1 ZINC000339100573 392949706 /nfs/dbraw/zinc/94/97/06/392949706.db2.gz PJNRLMPTZCLWIQ-ZDUSSCGKSA-N 1 1 253.411 3.204 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CCCCC1 ZINC000648292910 392960344 /nfs/dbraw/zinc/96/03/44/392960344.db2.gz ABQFILXERKNKTQ-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cc(CO)ccc1F ZINC000528527585 392968703 /nfs/dbraw/zinc/96/87/03/392968703.db2.gz UKFIHQQARYXKMQ-ZDUSSCGKSA-N 1 1 298.361 3.383 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cc(CO)ccc1F ZINC000528527585 392968707 /nfs/dbraw/zinc/96/87/07/392968707.db2.gz UKFIHQQARYXKMQ-ZDUSSCGKSA-N 1 1 298.361 3.383 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000411686240 392984535 /nfs/dbraw/zinc/98/45/35/392984535.db2.gz XCRQULHVXQFATP-CZUORRHYSA-N 1 1 260.356 3.481 20 30 CGEDMO CC[C@H]1C[N@@H+](CC)CCN1CCC1(C#N)CCCCC1 ZINC000411788177 392988985 /nfs/dbraw/zinc/98/89/85/392988985.db2.gz GCPITBFSGNZOAV-INIZCTEOSA-N 1 1 277.456 3.267 20 30 CGEDMO CC[C@H]1CN(CC)CC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411788177 392988987 /nfs/dbraw/zinc/98/89/87/392988987.db2.gz GCPITBFSGNZOAV-INIZCTEOSA-N 1 1 277.456 3.267 20 30 CGEDMO CC[C@H]1CN(CC)CC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411788177 392988988 /nfs/dbraw/zinc/98/89/88/392988988.db2.gz GCPITBFSGNZOAV-INIZCTEOSA-N 1 1 277.456 3.267 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@H](C)CCC#N)cc1Cl ZINC000412038952 392995472 /nfs/dbraw/zinc/99/54/72/392995472.db2.gz JUIKUURKVXTVIU-LLVKDONJSA-N 1 1 266.772 3.473 20 30 CGEDMO C=CC[N@@H+](Cc1ncc(C)n1C)CC1CCCCC1 ZINC000342806948 393006523 /nfs/dbraw/zinc/00/65/23/393006523.db2.gz LLTPEYXEPAXMCY-UHFFFAOYSA-N 1 1 261.413 3.297 20 30 CGEDMO C=CC[N@H+](Cc1ncc(C)n1C)CC1CCCCC1 ZINC000342806948 393006529 /nfs/dbraw/zinc/00/65/29/393006529.db2.gz LLTPEYXEPAXMCY-UHFFFAOYSA-N 1 1 261.413 3.297 20 30 CGEDMO COCC1(C#N)CC[NH+](Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000342820157 393008647 /nfs/dbraw/zinc/00/86/47/393008647.db2.gz GYBGTVBUNXRSMR-UKRRQHHQSA-N 1 1 288.391 3.155 20 30 CGEDMO Cc1ccc(C)c(OC2CC[NH+](CC3(C#N)CC3)CC2)c1 ZINC000343139002 393019550 /nfs/dbraw/zinc/01/95/50/393019550.db2.gz JGPHOUYKTHGPJY-UHFFFAOYSA-N 1 1 284.403 3.450 20 30 CGEDMO Cc1ccc(CC[N@H+](C[C@@H]2CCCO2)CC2(C#N)CC2)cc1 ZINC000343314029 393024559 /nfs/dbraw/zinc/02/45/59/393024559.db2.gz LYHZLLPMPQYBSZ-SFHVURJKSA-N 1 1 298.430 3.322 20 30 CGEDMO Cc1ccc(CC[N@@H+](C[C@@H]2CCCO2)CC2(C#N)CC2)cc1 ZINC000343314029 393024567 /nfs/dbraw/zinc/02/45/67/393024567.db2.gz LYHZLLPMPQYBSZ-SFHVURJKSA-N 1 1 298.430 3.322 20 30 CGEDMO C=CC[N@H+](CCC(C)(C)OC)Cc1cccc(C#N)c1 ZINC000346295291 393082620 /nfs/dbraw/zinc/08/26/20/393082620.db2.gz LNJVSXITXVVAFT-UHFFFAOYSA-N 1 1 272.392 3.361 20 30 CGEDMO N#CC1(F)CC[NH+](C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000348712188 393129106 /nfs/dbraw/zinc/12/91/06/393129106.db2.gz UEPUIMGLRFGGQD-UPHRSURJSA-N 1 1 280.293 3.306 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000351320135 393181134 /nfs/dbraw/zinc/18/11/34/393181134.db2.gz AKWCTPQBNROOBW-DLBZAZTESA-N 1 1 277.383 3.160 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc(C(F)(F)F)s2)CC1 ZINC000569066759 393195892 /nfs/dbraw/zinc/19/58/92/393195892.db2.gz YCIYOULYEVAIHB-UHFFFAOYSA-N 1 1 260.284 3.160 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](CC=C)Cc1ccccc1 ZINC000355268677 393284017 /nfs/dbraw/zinc/28/40/17/393284017.db2.gz NHEIOXGKEAVPSD-QGZVFWFLSA-N 1 1 298.430 3.264 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](CC=C)Cc1ccccc1 ZINC000355268677 393284021 /nfs/dbraw/zinc/28/40/21/393284021.db2.gz NHEIOXGKEAVPSD-QGZVFWFLSA-N 1 1 298.430 3.264 20 30 CGEDMO CC[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1ccc(C#N)cc1 ZINC000278618472 393322456 /nfs/dbraw/zinc/32/24/56/393322456.db2.gz GBSGJNKRCMDELS-JKSUJKDBSA-N 1 1 280.375 3.400 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccnn1CC)Cc1ccccc1 ZINC000355227702 393269473 /nfs/dbraw/zinc/26/94/73/393269473.db2.gz UZLBWXJDBJMCAE-UHFFFAOYSA-N 1 1 269.392 3.481 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccnn1CC)Cc1ccccc1 ZINC000355227702 393269479 /nfs/dbraw/zinc/26/94/79/393269479.db2.gz UZLBWXJDBJMCAE-UHFFFAOYSA-N 1 1 269.392 3.481 20 30 CGEDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1CCOc1cccc(C#N)c1 ZINC000470953807 393269658 /nfs/dbraw/zinc/26/96/58/393269658.db2.gz SNUNMYVMMRSEQU-FZMZJTMJSA-N 1 1 298.308 3.210 20 30 CGEDMO C=C(C)[C@@H](CO)[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000649249394 393386091 /nfs/dbraw/zinc/38/60/91/393386091.db2.gz HIOIIRWCOZXHIR-CYBMUJFWSA-N 1 1 273.298 3.074 20 30 CGEDMO Cc1cc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)nn1C ZINC000487361644 393451346 /nfs/dbraw/zinc/45/13/46/393451346.db2.gz MJKMGJVJELRIFV-UHFFFAOYSA-N 1 1 296.418 3.258 20 30 CGEDMO Cc1cc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)nn1C ZINC000487361644 393451348 /nfs/dbraw/zinc/45/13/48/393451348.db2.gz MJKMGJVJELRIFV-UHFFFAOYSA-N 1 1 296.418 3.258 20 30 CGEDMO Cc1cc(C[N@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)ccc1C#N ZINC000488171922 393466705 /nfs/dbraw/zinc/46/67/05/393466705.db2.gz PTEFVAHVMRBKGI-IRXDYDNUSA-N 1 1 286.419 3.096 20 30 CGEDMO Cc1cc(C[N@@H+]2CCc3ccc(O)cc3C2)ccc1C#N ZINC000488248676 393474580 /nfs/dbraw/zinc/47/45/80/393474580.db2.gz XUJCGNIXKWYSIA-UHFFFAOYSA-N 1 1 278.355 3.131 20 30 CGEDMO Cc1cc(C[N@H+]2CCc3ccc(O)cc3C2)ccc1C#N ZINC000488248676 393474583 /nfs/dbraw/zinc/47/45/83/393474583.db2.gz XUJCGNIXKWYSIA-UHFFFAOYSA-N 1 1 278.355 3.131 20 30 CGEDMO Cc1cc(F)ccc1C[N@H+](C)Cc1ccc(C#N)o1 ZINC000488589393 393542926 /nfs/dbraw/zinc/54/29/26/393542926.db2.gz MRTVEKULZSBOQA-UHFFFAOYSA-N 1 1 258.296 3.231 20 30 CGEDMO Cc1cc(F)ccc1C[N@@H+](C)Cc1ccc(C#N)o1 ZINC000488589393 393542929 /nfs/dbraw/zinc/54/29/29/393542929.db2.gz MRTVEKULZSBOQA-UHFFFAOYSA-N 1 1 258.296 3.231 20 30 CGEDMO C[C@H]1CC[C@@H]([N@@H+](C)CCOc2ccc(C#N)cc2)C1 ZINC000429583348 393487563 /nfs/dbraw/zinc/48/75/63/393487563.db2.gz KDBZIFBBUJABMI-DZGCQCFKSA-N 1 1 258.365 3.057 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(OC(C)C)ccn1 ZINC000649594486 393506792 /nfs/dbraw/zinc/50/67/92/393506792.db2.gz CVSRYGIBLWFZEV-OAHLLOKOSA-N 1 1 260.381 3.409 20 30 CGEDMO C=C(CC)C[N@@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000358889890 393528574 /nfs/dbraw/zinc/52/85/74/393528574.db2.gz NVLOCUWKHVNICK-QGZVFWFLSA-N 1 1 259.393 3.226 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000359071577 393534910 /nfs/dbraw/zinc/53/49/10/393534910.db2.gz LNUOSSYGCNHOMB-DOTOQJQBSA-N 1 1 286.419 3.294 20 30 CGEDMO CC[N@@H+](CC#Cc1ccccc1Cl)[C@@H]1CCCOC1 ZINC000649755174 393574121 /nfs/dbraw/zinc/57/41/21/393574121.db2.gz GZTSWPOCSQZERO-OAHLLOKOSA-N 1 1 277.795 3.192 20 30 CGEDMO C[C@@H](Cc1[nH]cc[nH+]1)OCC#Cc1ccccc1Cl ZINC000360946856 393621965 /nfs/dbraw/zinc/62/19/65/393621965.db2.gz QBDFIEHBLIJZSF-LBPRGKRZSA-N 1 1 274.751 3.062 20 30 CGEDMO Cc1cccc2c1C[N@@H+](Cc1ccc(C#N)s1)CC2 ZINC000433044119 393674450 /nfs/dbraw/zinc/67/44/50/393674450.db2.gz MAUYPHKNMYSWAO-UHFFFAOYSA-N 1 1 268.385 3.487 20 30 CGEDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc(C(F)(F)F)c(C#N)c1 ZINC000443514367 393760665 /nfs/dbraw/zinc/76/06/65/393760665.db2.gz FSQWGRLMBKURPL-WDEREUQCSA-N 1 1 297.324 3.106 20 30 CGEDMO Cc1cc(CNC2CC(C)(C)[NH2+]C(C)(C)C2)ccc1C#N ZINC000443988737 393780573 /nfs/dbraw/zinc/78/05/73/393780573.db2.gz JQQCGLROEYRBMV-UHFFFAOYSA-N 1 1 285.435 3.266 20 30 CGEDMO CO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)c(C)c2)C12CCC2 ZINC000449634386 393929799 /nfs/dbraw/zinc/92/97/99/393929799.db2.gz RCHZXOIHOXHYKK-IRXDYDNUSA-N 1 1 284.403 3.256 20 30 CGEDMO CCO[C@@H]1CC[N@H+]([C@H](C)c2ccc(C#N)cc2)C[C@@H]1C ZINC000451526757 394045966 /nfs/dbraw/zinc/04/59/66/394045966.db2.gz GXZLHXBJZHNDDU-JJRVBVJISA-N 1 1 272.392 3.366 20 30 CGEDMO C[C@@H](NCC[N@H+]1CCCC1(C)C)c1cccc(C#N)c1 ZINC000453409594 394237758 /nfs/dbraw/zinc/23/77/58/394237758.db2.gz WNJDZQVOFPNKPM-CQSZACIVSA-N 1 1 271.408 3.083 20 30 CGEDMO C[C@@H]([NH2+]CCN1CCCC1(C)C)c1cccc(C#N)c1 ZINC000453409594 394237760 /nfs/dbraw/zinc/23/77/60/394237760.db2.gz WNJDZQVOFPNKPM-CQSZACIVSA-N 1 1 271.408 3.083 20 30 CGEDMO C=CC[N@H+](Cc1cnn2c1CCC2)Cc1ccccc1 ZINC000667517779 542883477 /nfs/dbraw/zinc/88/34/77/542883477.db2.gz FYOISDFBVPMMGY-UHFFFAOYSA-N 1 1 267.376 3.018 20 30 CGEDMO C=CC[N@@H+](Cc1cnn2c1CCC2)Cc1ccccc1 ZINC000667517779 542883480 /nfs/dbraw/zinc/88/34/80/542883480.db2.gz FYOISDFBVPMMGY-UHFFFAOYSA-N 1 1 267.376 3.018 20 30 CGEDMO C=CC[C@H]1[N@H+](Cc2cnn3c2CCC3)CCCC1(C)C ZINC000668070637 542965500 /nfs/dbraw/zinc/96/55/00/542965500.db2.gz VSLWYEBYLLZWMD-MRXNPFEDSA-N 1 1 273.424 3.396 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000671732968 543183000 /nfs/dbraw/zinc/18/30/00/543183000.db2.gz VQGRDXKZNOKWRM-HNNXBMFYSA-N 1 1 274.383 3.140 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H](CNc2cccc(F)c2C#N)C1 ZINC000301139468 397673630 /nfs/dbraw/zinc/67/36/30/397673630.db2.gz GNEDRABGSSSQBS-CYBMUJFWSA-N 1 1 275.371 3.230 20 30 CGEDMO CCC#C[C@H](C)[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000650060708 397773411 /nfs/dbraw/zinc/77/34/11/397773411.db2.gz CJBKHRHNBBTENM-YOEHRIQHSA-N 1 1 257.377 3.034 20 30 CGEDMO COCC#CC[N@H+](Cc1cccc(C)c1)Cc1ccccn1 ZINC000677478871 543450785 /nfs/dbraw/zinc/45/07/85/543450785.db2.gz KGPLAAIOUUENPA-UHFFFAOYSA-N 1 1 294.398 3.042 20 30 CGEDMO COCC#CC[N@@H+](Cc1cccc(C)c1)Cc1ccccn1 ZINC000677478871 543450787 /nfs/dbraw/zinc/45/07/87/543450787.db2.gz KGPLAAIOUUENPA-UHFFFAOYSA-N 1 1 294.398 3.042 20 30 CGEDMO CCCC[N@@H+](CC#CCOC)[C@@H](C)c1ccc(C)o1 ZINC000677818941 543468428 /nfs/dbraw/zinc/46/84/28/543468428.db2.gz YQSDYNRJBUTGAZ-HNNXBMFYSA-N 1 1 263.381 3.401 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+](CC)Cc1cccc(Cl)c1 ZINC000677951731 543474451 /nfs/dbraw/zinc/47/44/51/543474451.db2.gz RPZNYOHOXZJDMC-AWEZNQCLSA-N 1 1 253.773 3.099 20 30 CGEDMO C=C(C)[C@@H](CO)[N@@H+](CC)Cc1ccc(Cl)s1 ZINC000677950930 543474617 /nfs/dbraw/zinc/47/46/17/543474617.db2.gz FOKHRLVZFRQRRZ-LLVKDONJSA-N 1 1 259.802 3.160 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCC[C@H](n3ccnc3)C2)c1 ZINC000678235332 543498385 /nfs/dbraw/zinc/49/83/85/543498385.db2.gz QZFQELUOJBJARH-KRWDZBQOSA-N 1 1 297.402 3.285 20 30 CGEDMO C[C@@H](NCC[N@@H+](C)C1CCCC1)c1ccc(C#N)cc1 ZINC000071376677 287026995 /nfs/dbraw/zinc/02/69/95/287026995.db2.gz FXRDSXVZLBUORY-CQSZACIVSA-N 1 1 271.408 3.083 20 30 CGEDMO C[C@@H]([NH2+]CCN(C)C1CCCC1)c1ccc(C#N)cc1 ZINC000071376677 287026996 /nfs/dbraw/zinc/02/69/96/287026996.db2.gz FXRDSXVZLBUORY-CQSZACIVSA-N 1 1 271.408 3.083 20 30 CGEDMO C[C@@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(C#N)cc1 ZINC000181859942 287067729 /nfs/dbraw/zinc/06/77/29/287067729.db2.gz CCDWPUCWVOBBSS-COXVUDFISA-N 1 1 271.408 3.082 20 30 CGEDMO Cc1cnc(C(C)(C)[NH2+]Cc2cc(C#N)cs2)s1 ZINC000080346024 287064868 /nfs/dbraw/zinc/06/48/68/287064868.db2.gz AQMDCHNQDTUDJG-UHFFFAOYSA-N 1 1 277.418 3.410 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)cc1C#N ZINC000087833450 165188871 /nfs/dbraw/zinc/18/88/71/165188871.db2.gz ZJHCYMIRCLKDRK-HOCLYGCPSA-N 1 1 270.376 3.331 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+](C)[C@@H](C)c1ccncc1 ZINC000091989755 165280407 /nfs/dbraw/zinc/28/04/07/165280407.db2.gz PDCBNBHNJQDJFX-ZDUSSCGKSA-N 1 1 281.359 3.155 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000091989755 165280412 /nfs/dbraw/zinc/28/04/12/165280412.db2.gz PDCBNBHNJQDJFX-ZDUSSCGKSA-N 1 1 281.359 3.155 20 30 CGEDMO C[N@@H+](CCc1ccc(F)cc1)Cc1cc(C#N)cs1 ZINC000092162165 165281865 /nfs/dbraw/zinc/28/18/65/165281865.db2.gz YPQJQKQIDQNFDV-UHFFFAOYSA-N 1 1 274.364 3.433 20 30 CGEDMO C[C@H](c1ccco1)[N@H+](Cc1ccc(C#N)o1)C1CC1 ZINC000092483638 165299468 /nfs/dbraw/zinc/29/94/68/165299468.db2.gz TZWCBGZTUUHUEW-LLVKDONJSA-N 1 1 256.305 3.470 20 30 CGEDMO C[C@H](c1ccco1)[N@@H+](Cc1ccc(C#N)o1)C1CC1 ZINC000092483638 165299469 /nfs/dbraw/zinc/29/94/69/165299469.db2.gz TZWCBGZTUUHUEW-LLVKDONJSA-N 1 1 256.305 3.470 20 30 CGEDMO Cc1ccc(C[N@@H+](C)Cc2cnc3ccc(C#N)cn23)s1 ZINC000093049309 165321963 /nfs/dbraw/zinc/32/19/63/165321963.db2.gz LQDJHELJBDRSDZ-UHFFFAOYSA-N 1 1 296.399 3.208 20 30 CGEDMO Cc1ccc(C[N@H+](C)Cc2cnc3ccc(C#N)cn23)s1 ZINC000093049309 165321966 /nfs/dbraw/zinc/32/19/66/165321966.db2.gz LQDJHELJBDRSDZ-UHFFFAOYSA-N 1 1 296.399 3.208 20 30 CGEDMO N#Cc1ccc2ncc(C[N@H+]3CCC4(C3)CCCCC4)n2c1 ZINC000093663710 165333767 /nfs/dbraw/zinc/33/37/67/165333767.db2.gz ZBFDXDUCOUBNHL-UHFFFAOYSA-N 1 1 294.402 3.362 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CC(=O)c2ccccc2)o1 ZINC000093667818 165335777 /nfs/dbraw/zinc/33/57/77/165335777.db2.gz QKJUSYWPYZXZOL-OAHLLOKOSA-N 1 1 294.354 3.389 20 30 CGEDMO CC[C@@H]1C[N@@H+](CCCC(C)(C)C#N)[C@H](CC)CN1C(C)=O ZINC000350473147 287182772 /nfs/dbraw/zinc/18/27/72/287182772.db2.gz FLJQVNBDUNDQGO-HZPDHXFCSA-N 1 1 293.455 3.038 20 30 CGEDMO CC[C@@H]1C[N@H+]([C@H](C)c2ccc(C#N)cc2)CCCO1 ZINC000281542485 287210783 /nfs/dbraw/zinc/21/07/83/287210783.db2.gz WZUMXOLCNJUTCE-CZUORRHYSA-N 1 1 258.365 3.120 20 30 CGEDMO CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)N1CCCC1 ZINC000020200707 171064807 /nfs/dbraw/zinc/06/48/07/171064807.db2.gz BRLZNMZILCBDLJ-CRAIPNDOSA-N 1 1 285.435 3.329 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000285637019 196351309 /nfs/dbraw/zinc/35/13/09/196351309.db2.gz XMPQJYQKUYAVAH-ZDUSSCGKSA-N 1 1 294.354 3.219 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCOc2cc(O)ccc2C1 ZINC000285637019 196351311 /nfs/dbraw/zinc/35/13/11/196351311.db2.gz XMPQJYQKUYAVAH-ZDUSSCGKSA-N 1 1 294.354 3.219 20 30 CGEDMO CCc1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)o1 ZINC000126931046 287276792 /nfs/dbraw/zinc/27/67/92/287276792.db2.gz RJVCJDLQFVKFGG-UHFFFAOYSA-N 1 1 295.386 3.036 20 30 CGEDMO COC(=O)c1cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)oc1C ZINC000128072501 287302894 /nfs/dbraw/zinc/30/28/94/287302894.db2.gz JGNUCIXAEKPXJK-NSHDSACASA-N 1 1 298.342 3.097 20 30 CGEDMO CC[C@]1(C)CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000072802613 176430544 /nfs/dbraw/zinc/43/05/44/176430544.db2.gz BFRHTTRSMBYPDG-GOSISDBHSA-N 1 1 299.418 3.399 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000680108863 543685725 /nfs/dbraw/zinc/68/57/25/543685725.db2.gz KPRHOWZUPLGGOM-XJKSGUPXSA-N 1 1 261.340 3.081 20 30 CGEDMO FC(F)O[C@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000679683559 543656487 /nfs/dbraw/zinc/65/64/87/543656487.db2.gz ZEEZVNGPJYYCSN-AWEZNQCLSA-N 1 1 299.748 3.395 20 30 CGEDMO FC(F)O[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000679683559 543656489 /nfs/dbraw/zinc/65/64/89/543656489.db2.gz ZEEZVNGPJYYCSN-AWEZNQCLSA-N 1 1 299.748 3.395 20 30 CGEDMO C[C@@H](Cc1[nH]cc[nH+]1)OCC#Cc1cccc(Cl)c1 ZINC000679923144 543667766 /nfs/dbraw/zinc/66/77/66/543667766.db2.gz DSHYCLJZKLGLEZ-LBPRGKRZSA-N 1 1 274.751 3.062 20 30 CGEDMO CCC#C[C@H](C)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000680900575 543745406 /nfs/dbraw/zinc/74/54/06/543745406.db2.gz TWGWSTYQIKWRFK-GJZGRUSLSA-N 1 1 276.449 3.229 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CC[C@@H](C)C2(CCCCC2)C1 ZINC000680901556 543745437 /nfs/dbraw/zinc/74/54/37/543745437.db2.gz HZWIKXORNFEXEX-CABCVRRESA-N 1 1 251.414 3.216 20 30 CGEDMO Cc1nccc([C@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)n1 ZINC000683005186 543887261 /nfs/dbraw/zinc/88/72/61/543887261.db2.gz OQNKFPDIHQMLNG-SFHVURJKSA-N 1 1 291.398 3.016 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+](C)Cc1ccc(Br)cc1C ZINC000683525210 543920657 /nfs/dbraw/zinc/92/06/57/543920657.db2.gz PIDRMBFTOGGPLX-AWEZNQCLSA-N 1 1 298.224 3.126 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2nc(CC)no2)CCCC1(C)C ZINC000683528261 543921559 /nfs/dbraw/zinc/92/15/59/543921559.db2.gz KOYNABVHCXAMLL-GFCCVEGCSA-N 1 1 263.385 3.199 20 30 CGEDMO COc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)o2)c(OC)c1 ZINC000135148034 287462493 /nfs/dbraw/zinc/46/24/93/287462493.db2.gz QZJISTGCNVRDSU-NSHDSACASA-N 1 1 286.331 3.019 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CC[C@H](C)[C@@H]3CCCC[C@@H]32)nn1 ZINC000653493479 419037400 /nfs/dbraw/zinc/03/74/00/419037400.db2.gz XRSLCAPIVKIWPC-XIRDDKMYSA-N 1 1 288.439 3.255 20 30 CGEDMO C=CCCCCC[N@@H+](C)[C@H](C)c1nnc(CC)[nH]1 ZINC000659947010 419041600 /nfs/dbraw/zinc/04/16/00/419041600.db2.gz LGPYCICEFOYIJM-GFCCVEGCSA-N 1 1 250.390 3.106 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H](C)c1nnc(CC)[nH]1 ZINC000659947010 419041604 /nfs/dbraw/zinc/04/16/04/419041604.db2.gz LGPYCICEFOYIJM-GFCCVEGCSA-N 1 1 250.390 3.106 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654519896 418981109 /nfs/dbraw/zinc/98/11/09/418981109.db2.gz OPXFGIKULCLRNZ-ARFHVFGLSA-N 1 1 293.455 3.047 20 30 CGEDMO C=CC[N@H+](CCO[C@H]1CC1(F)F)Cc1ccc(OC)cc1 ZINC000659849860 419012192 /nfs/dbraw/zinc/01/21/92/419012192.db2.gz TYKVLSQEWBZQQI-HNNXBMFYSA-N 1 1 297.345 3.107 20 30 CGEDMO C=CCCn1cc(C[NH2+]C2(c3ccccc3C)CCC2)nn1 ZINC000653777087 419083749 /nfs/dbraw/zinc/08/37/49/419083749.db2.gz UVXSZJCGDRRFIN-UHFFFAOYSA-N 1 1 296.418 3.332 20 30 CGEDMO C=CCCn1cc(C[NH2+]C(C)(C)c2cccc(C)c2)nn1 ZINC000653605360 419058026 /nfs/dbraw/zinc/05/80/26/419058026.db2.gz UARZXBBDNGIXNH-UHFFFAOYSA-N 1 1 284.407 3.188 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@H](C)c2cccc(C)c2C)nn1 ZINC000653605001 419058128 /nfs/dbraw/zinc/05/81/28/419058128.db2.gz BUULFRNOOVMWCG-OAHLLOKOSA-N 1 1 284.407 3.322 20 30 CGEDMO C=CC[N@H+](C)Cc1cn(-c2ccccc2Cl)nc1C ZINC000656256209 419157467 /nfs/dbraw/zinc/15/74/67/419157467.db2.gz QNLGZLSDAHNXRO-UHFFFAOYSA-N 1 1 275.783 3.452 20 30 CGEDMO C=C(CC)Cn1cc(C[NH2+][C@@H]2CCc3ccccc32)nn1 ZINC000656452153 419172462 /nfs/dbraw/zinc/17/24/62/419172462.db2.gz AMBWGXGLZZEPIG-QGZVFWFLSA-N 1 1 282.391 3.021 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Cl)c(OC)c1)[C@H](C)COC ZINC000661240304 419243710 /nfs/dbraw/zinc/24/37/10/419243710.db2.gz NHBVWGTUEWANLC-GFCCVEGCSA-N 1 1 283.799 3.372 20 30 CGEDMO C=CC[N@H+](CC#Cc1ccccc1Cl)[C@@H](C)COC ZINC000661242635 419244235 /nfs/dbraw/zinc/24/42/35/419244235.db2.gz RKQNUZXDYUCILA-AWEZNQCLSA-N 1 1 277.795 3.214 20 30 CGEDMO C=CC[N@@H+](CC#Cc1ccccc1Cl)[C@@H](C)COC ZINC000661242635 419244237 /nfs/dbraw/zinc/24/42/37/419244237.db2.gz RKQNUZXDYUCILA-AWEZNQCLSA-N 1 1 277.795 3.214 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](CC[C@@H]2CCCCN2C)C1 ZINC000661378490 419255112 /nfs/dbraw/zinc/25/51/12/419255112.db2.gz HOIVLLDTUHMYOD-CVEARBPZSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CC[C@@H]2CCCCN2C)C1 ZINC000661378490 419255114 /nfs/dbraw/zinc/25/51/14/419255114.db2.gz HOIVLLDTUHMYOD-CVEARBPZSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@H](C)c2nc(C3CC3)no2)C1 ZINC000661378975 419255874 /nfs/dbraw/zinc/25/58/74/419255874.db2.gz PUVGBQDGLGGVMD-VXGBXAGGSA-N 1 1 261.369 3.296 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2C)C1 ZINC000661379432 419256193 /nfs/dbraw/zinc/25/61/93/419256193.db2.gz YLAIGHOLKXEKBC-HNNXBMFYSA-N 1 1 272.392 3.222 20 30 CGEDMO OC1([C@@H]2CCCC[N@H+]2CC#Cc2cccc(Cl)c2)CC1 ZINC000656708102 419205927 /nfs/dbraw/zinc/20/59/27/419205927.db2.gz BQIGQVSDNAYAGU-INIZCTEOSA-N 1 1 289.806 3.071 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1ccc(C(C)=O)cc1)C(C)(C)C ZINC000661756261 419295363 /nfs/dbraw/zinc/29/53/63/419295363.db2.gz HZFDFOVNRWUWRL-UHFFFAOYSA-N 1 1 288.391 3.114 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1ccc(C(C)=O)cc1)C(C)(C)C ZINC000661756261 419295364 /nfs/dbraw/zinc/29/53/64/419295364.db2.gz HZFDFOVNRWUWRL-UHFFFAOYSA-N 1 1 288.391 3.114 20 30 CGEDMO C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cc1nc(C#N)cs1 ZINC000356139518 228137099 /nfs/dbraw/zinc/13/70/99/228137099.db2.gz SQHJSXSSXGBNOH-DZGCQCFKSA-N 1 1 297.427 3.468 20 30 CGEDMO C=CCOc1ccc(CNCC[C@@H]([NH3+])C(C)C)cc1Cl ZINC000663498929 419635536 /nfs/dbraw/zinc/63/55/36/419635536.db2.gz UQWUPSPOXNKTMF-OAHLLOKOSA-N 1 1 296.842 3.368 20 30 CGEDMO C=CC[NH+](CC=C)[C@H](C)c1cc(C(=O)OC)c(C)o1 ZINC000297981451 260139957 /nfs/dbraw/zinc/13/99/57/260139957.db2.gz WDEVBMVVCLPVNF-LLVKDONJSA-N 1 1 263.337 3.110 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)[C@@H](C)c1cccnc1 ZINC000298754061 260162430 /nfs/dbraw/zinc/16/24/30/260162430.db2.gz CMLFIDIIMCTFJO-AWEZNQCLSA-N 1 1 256.349 3.466 20 30 CGEDMO C[N@H+](CCCC#N)Cc1csc(Br)c1 ZINC000042324944 260186247 /nfs/dbraw/zinc/18/62/47/260186247.db2.gz ZEBUUJCFGUFCHF-UHFFFAOYSA-N 1 1 273.199 3.246 20 30 CGEDMO C[N@@H+](CCCC#N)Cc1csc(Br)c1 ZINC000042324944 260186248 /nfs/dbraw/zinc/18/62/48/260186248.db2.gz ZEBUUJCFGUFCHF-UHFFFAOYSA-N 1 1 273.199 3.246 20 30 CGEDMO C=C[C@@H](C)[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1 ZINC000449184630 260284456 /nfs/dbraw/zinc/28/44/56/260284456.db2.gz FPAVAJUXEGHBAU-HZPDHXFCSA-N 1 1 272.436 3.246 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H]1CCCC[C@@H]1O ZINC000517833139 260310398 /nfs/dbraw/zinc/31/03/98/260310398.db2.gz ULFJDHHISNXXMD-MSOLQXFVSA-N 1 1 284.403 3.097 20 30 CGEDMO C=CC[N@@H+](CCCSCC#N)CCc1ccccc1 ZINC000080627561 260317256 /nfs/dbraw/zinc/31/72/56/260317256.db2.gz KYMINKJJQKGMJR-UHFFFAOYSA-N 1 1 274.433 3.364 20 30 CGEDMO C=C(CC)C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000358627386 260668310 /nfs/dbraw/zinc/66/83/10/260668310.db2.gz WQBGPSOXOQZEEE-UHFFFAOYSA-N 1 1 261.365 3.028 20 30 CGEDMO N#C[C@H](c1ccccc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000155265743 261099830 /nfs/dbraw/zinc/09/98/30/261099830.db2.gz FEHFOMGFRWJOCP-QGZVFWFLSA-N 1 1 297.427 3.131 20 30 CGEDMO Cn1cccc1[C@H]1CCC[N@H+]1CC(C)(C)CCC#N ZINC000179710529 261810817 /nfs/dbraw/zinc/81/08/17/261810817.db2.gz ZRDQRYCAUXSCJU-OAHLLOKOSA-N 1 1 259.397 3.492 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1cc2cc(OC)ccc2o1 ZINC000184082254 262007202 /nfs/dbraw/zinc/00/72/02/262007202.db2.gz WCZJNTZCEKLVEM-GFCCVEGCSA-N 1 1 258.321 3.223 20 30 CGEDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CCCC(C)(C)C#N ZINC000363926300 262036726 /nfs/dbraw/zinc/03/67/26/262036726.db2.gz VNXXJRCPPWMZRP-HNNXBMFYSA-N 1 1 274.412 3.195 20 30 CGEDMO C=C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000309921176 262052753 /nfs/dbraw/zinc/05/27/53/262052753.db2.gz QXAJFUUTHMZGJI-XOYOTBSWSA-N 1 1 270.420 3.061 20 30 CGEDMO CC1(C)C[N@@H+](CCCCC#N)CC2(CCCC2)O1 ZINC000190953864 262187491 /nfs/dbraw/zinc/18/74/91/262187491.db2.gz FEFFFBKMWWNSQO-UHFFFAOYSA-N 1 1 250.386 3.104 20 30 CGEDMO C=Cn1cc(C[NH2+][C@H](CCC#N)c2ccccc2)cn1 ZINC000194392411 262237155 /nfs/dbraw/zinc/23/71/55/262237155.db2.gz BREMGOBRYVQOQJ-MRXNPFEDSA-N 1 1 266.348 3.118 20 30 CGEDMO C=CC1CC[NH+](Cc2nccn2Cc2ccccc2)CC1 ZINC000111260059 262259229 /nfs/dbraw/zinc/25/92/29/262259229.db2.gz RJSWCMLCDIUGJR-UHFFFAOYSA-N 1 1 281.403 3.329 20 30 CGEDMO C=CC1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC000110969309 262259391 /nfs/dbraw/zinc/25/93/91/262259391.db2.gz HFGFBBOJORRCOF-KRWDZBQOSA-N 1 1 286.419 3.104 20 30 CGEDMO C=CCOc1ccccc1CNC[C@H]1CCC[N@@H+]1CCC ZINC000353133697 262269526 /nfs/dbraw/zinc/26/95/26/262269526.db2.gz FOZDTIRWVIRWDH-QGZVFWFLSA-N 1 1 288.435 3.215 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]C[C@H]1CCCN1CCC ZINC000353133697 262269527 /nfs/dbraw/zinc/26/95/27/262269527.db2.gz FOZDTIRWVIRWDH-QGZVFWFLSA-N 1 1 288.435 3.215 20 30 CGEDMO CCC(CC)C[N@@H+](CC)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000488513610 262329869 /nfs/dbraw/zinc/32/98/69/262329869.db2.gz KQBBAOWGMQKWBK-RHSMWYFYSA-N 1 1 295.471 3.187 20 30 CGEDMO COc1cc(C[N@@H+](C)CCC(C)(C)C#N)cc(OC)c1 ZINC000271948642 263000521 /nfs/dbraw/zinc/00/05/21/263000521.db2.gz AMWXZAIPZCIIEG-UHFFFAOYSA-N 1 1 276.380 3.075 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]Cc1ncccc1N(C)C ZINC000353184766 263033646 /nfs/dbraw/zinc/03/36/46/263033646.db2.gz BOANEBOFHZMKTC-UHFFFAOYSA-N 1 1 297.402 3.002 20 30 CGEDMO CN1CCN(CCCCC(C)(C)C#N)c2ccc[nH+]c21 ZINC000277723734 263043085 /nfs/dbraw/zinc/04/30/85/263043085.db2.gz NPEYUKITDPDMLG-UHFFFAOYSA-N 1 1 272.396 3.058 20 30 CGEDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CCC(C)(C)C#N ZINC000285459739 263093100 /nfs/dbraw/zinc/09/31/00/263093100.db2.gz ZEFARHGCOGFHEB-UHFFFAOYSA-N 1 1 275.352 3.009 20 30 CGEDMO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1c(F)cncc1F ZINC000285662424 263094980 /nfs/dbraw/zinc/09/49/80/263094980.db2.gz MKCQVGYZCRTNIJ-GARJFASQSA-N 1 1 265.307 3.093 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CCC1(F)F ZINC000289792961 263112086 /nfs/dbraw/zinc/11/20/86/263112086.db2.gz MKBRGHRNXSANLL-LBPRGKRZSA-N 1 1 280.318 3.066 20 30 CGEDMO N#CCC[N@@H+](C[C@@H](O)c1cc2ccccc2o1)CC1CC1 ZINC000292888971 263136219 /nfs/dbraw/zinc/13/62/19/263136219.db2.gz UYNJLNRKWURWHB-OAHLLOKOSA-N 1 1 284.359 3.092 20 30 CGEDMO N#CCC[N@H+](C[C@@H](O)c1cc2ccccc2o1)CC1CC1 ZINC000292888971 263136220 /nfs/dbraw/zinc/13/62/20/263136220.db2.gz UYNJLNRKWURWHB-OAHLLOKOSA-N 1 1 284.359 3.092 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1cccc(C)c1 ZINC000340410545 263136935 /nfs/dbraw/zinc/13/69/35/263136935.db2.gz UMFRVIHTGAJAER-INIZCTEOSA-N 1 1 286.419 3.016 20 30 CGEDMO CC(C)C[N@@H+](CCOCCC#N)CCc1ccccc1 ZINC000293511997 263142394 /nfs/dbraw/zinc/14/23/94/263142394.db2.gz OHTBHYJGCOITPG-UHFFFAOYSA-N 1 1 274.408 3.117 20 30 CGEDMO C[C@@H]1Cc2[nH+]cn(Cc3ccc(OCC#N)cc3)c2C[C@H]1C ZINC000296028740 263185025 /nfs/dbraw/zinc/18/50/25/263185025.db2.gz RUIRKLXLRNBSCD-ZIAGYGMSSA-N 1 1 295.386 3.205 20 30 CGEDMO COc1ccc([C@H]2CC[N@H+]([C@H](C)CCC#N)C2)cc1 ZINC000298034712 263214342 /nfs/dbraw/zinc/21/43/42/263214342.db2.gz FZGCSIHFVWKAPA-HIFRSBDPSA-N 1 1 258.365 3.177 20 30 CGEDMO CC(C)COc1ccc(C(C)(C)[NH2+]CCC#N)cc1 ZINC000299061213 263229671 /nfs/dbraw/zinc/22/96/71/263229671.db2.gz SNTDHQZBHHMVDM-UHFFFAOYSA-N 1 1 260.381 3.460 20 30 CGEDMO C[C@@H]([NH2+]CCC#N)c1cccc(OCc2ccccn2)c1 ZINC000299731639 263254128 /nfs/dbraw/zinc/25/41/28/263254128.db2.gz XJIMPXHRIGDOIL-CQSZACIVSA-N 1 1 281.359 3.225 20 30 CGEDMO C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000120121075 263280005 /nfs/dbraw/zinc/28/00/05/263280005.db2.gz SBIHYGCUCDICKY-ZDUSSCGKSA-N 1 1 288.391 3.114 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000120121075 263280009 /nfs/dbraw/zinc/28/00/09/263280009.db2.gz SBIHYGCUCDICKY-ZDUSSCGKSA-N 1 1 288.391 3.114 20 30 CGEDMO C=CC[N@H+](CC[C@H]1CCOC1=O)Cc1ccc(Cl)s1 ZINC000120027104 263280530 /nfs/dbraw/zinc/28/05/30/263280530.db2.gz VURPEZZSTWPABH-NSHDSACASA-N 1 1 299.823 3.343 20 30 CGEDMO C=CCC(C)(C)c1noc([C@H]2CCCc3[nH+]ccn32)n1 ZINC000340827741 263308229 /nfs/dbraw/zinc/30/82/29/263308229.db2.gz PMCBQRCJIZNEDU-LLVKDONJSA-N 1 1 272.352 3.046 20 30 CGEDMO C=C1CC[NH+]([C@H](C)C(=O)NCCC2=CCCCC2)CC1 ZINC000341997864 263374190 /nfs/dbraw/zinc/37/41/90/263374190.db2.gz ISDDIQVWIZVTEM-OAHLLOKOSA-N 1 1 276.424 3.034 20 30 CGEDMO C[C@@]1(C(N)=O)CCCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000330878527 264060806 /nfs/dbraw/zinc/06/08/06/264060806.db2.gz YDLZBSNRGVHBIX-INIZCTEOSA-N 1 1 271.364 3.033 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000127434022 264256204 /nfs/dbraw/zinc/25/62/04/264256204.db2.gz KEMLLRVZQURFDG-QGZVFWFLSA-N 1 1 280.371 3.364 20 30 CGEDMO C#CCOc1ccc([C@@H](C)[NH2+]Cc2nccs2)cc1 ZINC000128154909 264273560 /nfs/dbraw/zinc/27/35/60/264273560.db2.gz DJJULEGUPLFIES-GFCCVEGCSA-N 1 1 272.373 3.006 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CCC(=O)OC(C)(C)C ZINC000425479705 264348301 /nfs/dbraw/zinc/34/83/01/264348301.db2.gz QJFGNUYPKSFYCU-CYBMUJFWSA-N 1 1 253.386 3.149 20 30 CGEDMO CCC[N@@H+](CCOc1ccc(C#N)cc1)CC1CC1 ZINC000042312606 264889145 /nfs/dbraw/zinc/88/91/45/264889145.db2.gz BKDHSIXXSSPPQR-UHFFFAOYSA-N 1 1 258.365 3.059 20 30 CGEDMO CC[N@@H+](CCOc1ccccc1C#N)Cc1ccccc1 ZINC000034674410 270027620 /nfs/dbraw/zinc/02/76/20/270027620.db2.gz ZCZHUBKKUJLACB-UHFFFAOYSA-N 1 1 280.371 3.459 20 30 CGEDMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1CC1(C#N)CCC1 ZINC000334618669 265063800 /nfs/dbraw/zinc/06/38/00/265063800.db2.gz IIXGNQLKOCJCSL-SNVBAGLBSA-N 1 1 260.303 3.343 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC[C@H]2c2cc(C)on2)cc1 ZINC000367229018 266094781 /nfs/dbraw/zinc/09/47/81/266094781.db2.gz NTOVSCBTJOUJEQ-SFHVURJKSA-N 1 1 296.370 3.332 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C)on2)cc1 ZINC000367229018 266094784 /nfs/dbraw/zinc/09/47/84/266094784.db2.gz NTOVSCBTJOUJEQ-SFHVURJKSA-N 1 1 296.370 3.332 20 30 CGEDMO C=CC[N@@H+](CC(=O)N[C@H](CCC)c1ccccc1)C1CC1 ZINC000357555507 266323582 /nfs/dbraw/zinc/32/35/82/266323582.db2.gz UTMMVMWYNLRSRP-QGZVFWFLSA-N 1 1 286.419 3.294 20 30 CGEDMO C=CC[N@H+](CC(=O)N[C@H](CCC)c1ccccc1)C1CC1 ZINC000357555507 266323585 /nfs/dbraw/zinc/32/35/85/266323585.db2.gz UTMMVMWYNLRSRP-QGZVFWFLSA-N 1 1 286.419 3.294 20 30 CGEDMO CC[C@@H]1C[C@@H](C)C[N@H+]1CCOc1cccc(C#N)c1 ZINC000399712177 266386381 /nfs/dbraw/zinc/38/63/81/266386381.db2.gz AXUYRNUNWBMVQJ-UKRRQHHQSA-N 1 1 258.365 3.057 20 30 CGEDMO C=C[C@H](C)[NH2+][C@@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000358306308 266451884 /nfs/dbraw/zinc/45/18/84/266451884.db2.gz ULDLUCURYKGQFE-STQMWFEESA-N 1 1 270.380 3.109 20 30 CGEDMO N#Cc1cccc(CNC[C@@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000527752054 270134229 /nfs/dbraw/zinc/13/42/29/270134229.db2.gz LOFCDCCABRLNAD-SFHVURJKSA-N 1 1 283.419 3.055 20 30 CGEDMO N#Cc1cccc(CNC[C@@H]2CC[N@H+]2C2CCCCC2)c1 ZINC000527752054 270134230 /nfs/dbraw/zinc/13/42/30/270134230.db2.gz LOFCDCCABRLNAD-SFHVURJKSA-N 1 1 283.419 3.055 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@@](C)(CC)C1 ZINC000362383770 266977135 /nfs/dbraw/zinc/97/71/35/266977135.db2.gz BNOSSPBWUBROAP-DOTOQJQBSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000362861607 267055138 /nfs/dbraw/zinc/05/51/38/267055138.db2.gz AIHDCTFEAPPPCV-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCOC1CCC1 ZINC000367722987 267112838 /nfs/dbraw/zinc/11/28/38/267112838.db2.gz CMNBLODJCKWAJX-ZWKOTPCHSA-N 1 1 284.403 3.327 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCOC1CCC1 ZINC000367722987 267112839 /nfs/dbraw/zinc/11/28/39/267112839.db2.gz CMNBLODJCKWAJX-ZWKOTPCHSA-N 1 1 284.403 3.327 20 30 CGEDMO C[C@@]1(c2ccc(F)cc2)CC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000369865842 267272888 /nfs/dbraw/zinc/27/28/88/267272888.db2.gz VDUFYWMOBCPXKL-RHSMWYFYSA-N 1 1 285.366 3.233 20 30 CGEDMO C[C@@]1(c2ccc(F)cc2)CC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000369865842 267272890 /nfs/dbraw/zinc/27/28/90/267272890.db2.gz VDUFYWMOBCPXKL-RHSMWYFYSA-N 1 1 285.366 3.233 20 30 CGEDMO C[C@]1(c2ccc(F)cc2)CC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000369865841 267273399 /nfs/dbraw/zinc/27/33/99/267273399.db2.gz VDUFYWMOBCPXKL-PBHICJAKSA-N 1 1 285.366 3.233 20 30 CGEDMO C[C@]1(c2ccc(F)cc2)CC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000369865841 267273401 /nfs/dbraw/zinc/27/34/01/267273401.db2.gz VDUFYWMOBCPXKL-PBHICJAKSA-N 1 1 285.366 3.233 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCC2(CCCC2)O1 ZINC000530360757 267315103 /nfs/dbraw/zinc/31/51/03/267315103.db2.gz HZPGQUMVPRYUJY-QGZVFWFLSA-N 1 1 284.403 3.482 20 30 CGEDMO N#CC1(C[NH2+]Cc2cccc(OCC(F)(F)F)c2)CCC1 ZINC000418141780 267364242 /nfs/dbraw/zinc/36/42/42/267364242.db2.gz LSWBIQOUZCYEOI-UHFFFAOYSA-N 1 1 298.308 3.411 20 30 CGEDMO Cc1ccc(-c2n[nH]cc2C[NH2+]CC2(C#N)CCC2)cc1 ZINC000418143034 267365822 /nfs/dbraw/zinc/36/58/22/267365822.db2.gz OEQGLTNJXAOZGI-UHFFFAOYSA-N 1 1 280.375 3.169 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000120108813 267382435 /nfs/dbraw/zinc/38/24/35/267382435.db2.gz ORXQJYIZYZGZHR-GJZGRUSLSA-N 1 1 266.429 3.064 20 30 CGEDMO Cc1cc([C@H]2CCC[N@H+]2CC(C)(C)CCC#N)no1 ZINC000371395228 267399812 /nfs/dbraw/zinc/39/98/12/267399812.db2.gz FDNMTKLISQKKTA-CQSZACIVSA-N 1 1 261.369 3.450 20 30 CGEDMO C#CCCCCC(=O)Nc1cccc2c1C[N@H+](C1CC1)C2 ZINC000375233813 267840301 /nfs/dbraw/zinc/84/03/01/267840301.db2.gz NEWPQJBBQDTERI-UHFFFAOYSA-N 1 1 282.387 3.297 20 30 CGEDMO N#Cc1cccc(OCCCn2cc[nH+]c2C2CC2)c1 ZINC000530129582 268285069 /nfs/dbraw/zinc/28/50/69/268285069.db2.gz MPZPVMDRNVNTPV-UHFFFAOYSA-N 1 1 267.332 3.101 20 30 CGEDMO CC[C@@H](C)[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000532967383 270220269 /nfs/dbraw/zinc/22/02/69/270220269.db2.gz AVJMGZRXABADCW-RHSMWYFYSA-N 1 1 299.418 3.397 20 30 CGEDMO CC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCC1 ZINC000533298995 270223029 /nfs/dbraw/zinc/22/30/29/270223029.db2.gz AMTCVDUOWVIESK-UHFFFAOYSA-N 1 1 291.782 3.025 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+]1CCc2cc(C)ccc2C1 ZINC000361840344 274105893 /nfs/dbraw/zinc/10/58/93/274105893.db2.gz RXFJPNTYMGUFSE-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCc2cc(C)ccc2C1 ZINC000361840344 274105894 /nfs/dbraw/zinc/10/58/94/274105894.db2.gz RXFJPNTYMGUFSE-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ccncc2C#N)C1 ZINC000368372991 274286523 /nfs/dbraw/zinc/28/65/23/274286523.db2.gz ACHYOOSZMRTCPG-HZPDHXFCSA-N 1 1 298.434 3.044 20 30 CGEDMO CCOC[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000177172762 276330430 /nfs/dbraw/zinc/33/04/30/276330430.db2.gz GFMSSNAGYMHVCN-MRXNPFEDSA-N 1 1 291.822 3.440 20 30 CGEDMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2ccc(F)cc2C#N)C1 ZINC000363448655 277210997 /nfs/dbraw/zinc/21/09/97/277210997.db2.gz GCUSROZAQVRBNM-KRWDZBQOSA-N 1 1 281.334 3.296 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000348224009 278306629 /nfs/dbraw/zinc/30/66/29/278306629.db2.gz BGAPFZGAMZAJCT-XNJGSVPQSA-N 1 1 270.376 3.119 20 30 CGEDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(F)(C#N)CC1 ZINC000352448429 278866874 /nfs/dbraw/zinc/86/68/74/278866874.db2.gz HFIBGQKCKMDBIN-LBPRGKRZSA-N 1 1 291.326 3.292 20 30 CGEDMO Cc1cc(NC(=O)[C@@H]2CCCOCC2)cn2cc[nH+]c12 ZINC000329510491 280590047 /nfs/dbraw/zinc/59/00/47/280590047.db2.gz BTRORIWJJAXLQE-GFCCVEGCSA-N 1 1 273.336 3.047 20 30 CGEDMO Cc1ccccc1[C@H](CO)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000543761859 288819343 /nfs/dbraw/zinc/81/93/43/288819343.db2.gz AJQFTGLIJXBCRZ-ACJLOTCBSA-N 1 1 298.361 3.390 20 30 CGEDMO N#Cc1cccc(C2([NH2+]Cc3ccc(Cl)cn3)CC2)c1 ZINC000556510679 289395471 /nfs/dbraw/zinc/39/54/71/289395471.db2.gz NCZCPMSPDZAHQE-UHFFFAOYSA-N 1 1 283.762 3.386 20 30 CGEDMO N#CCC1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC000334180942 327654510 /nfs/dbraw/zinc/65/45/10/327654510.db2.gz DSWATPQLQARPDQ-UHFFFAOYSA-N 1 1 250.292 3.090 20 30 CGEDMO CC#CC[N@@H+](C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000411766697 328099253 /nfs/dbraw/zinc/09/92/53/328099253.db2.gz COYHWPUMKDKWEH-UHFFFAOYSA-N 1 1 299.201 3.277 20 30 CGEDMO N#CCC[C@H](C#N)C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000264881455 328162636 /nfs/dbraw/zinc/16/26/36/328162636.db2.gz QYYBAHUCTIXBEK-KGLIPLIRSA-N 1 1 271.339 3.059 20 30 CGEDMO N#CCC[C@H](C#N)C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000264881455 328162638 /nfs/dbraw/zinc/16/26/38/328162638.db2.gz QYYBAHUCTIXBEK-KGLIPLIRSA-N 1 1 271.339 3.059 20 30 CGEDMO C[C@@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1ccc(OCC#N)cc1 ZINC000271852760 328198204 /nfs/dbraw/zinc/19/82/04/328198204.db2.gz IUVCPLBKECMQPA-MLGOLLRUSA-N 1 1 296.374 3.040 20 30 CGEDMO C[N@@H+](CCCC#N)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273574161 328205406 /nfs/dbraw/zinc/20/54/06/328205406.db2.gz YQEICZCWAOJFNQ-JKSUJKDBSA-N 1 1 276.355 3.281 20 30 CGEDMO COCC[N@@H+](CCCCC(C)(C)C#N)Cc1ccccn1 ZINC000286739356 328250133 /nfs/dbraw/zinc/25/01/33/328250133.db2.gz CAWGQYMUWBQKMS-UHFFFAOYSA-N 1 1 289.423 3.250 20 30 CGEDMO C[C@H]([NH2+]CCC#N)c1ccc(Oc2cccnc2)cc1 ZINC000298621467 328296958 /nfs/dbraw/zinc/29/69/58/328296958.db2.gz UYRHIWBXCWGPIC-ZDUSSCGKSA-N 1 1 267.332 3.438 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)c1 ZINC000567265220 322156654 /nfs/dbraw/zinc/15/66/54/322156654.db2.gz DRXMLDTXDGAVEE-SFHVURJKSA-N 1 1 278.355 3.212 20 30 CGEDMO Cc1nnc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)s1 ZINC000567987322 322186923 /nfs/dbraw/zinc/18/69/23/322186923.db2.gz FQAPMVIOMAEBKG-OAHLLOKOSA-N 1 1 298.415 3.276 20 30 CGEDMO C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000569226635 322240024 /nfs/dbraw/zinc/24/00/24/322240024.db2.gz OHPOXIZAXLPVOK-NWDGAFQWSA-N 1 1 273.336 3.087 20 30 CGEDMO CCC[N@@H+](CC)C[C@@H](C)Nc1c(C#N)cnc2ccccc21 ZINC000569953841 322261470 /nfs/dbraw/zinc/26/14/70/322261470.db2.gz CKISMKVNOCHCNM-CQSZACIVSA-N 1 1 296.418 3.061 20 30 CGEDMO C[C@@H](C[N@@H+](Cc1ccc(C#N)o1)[C@@H](C)CO)c1ccccc1 ZINC000571722884 322306059 /nfs/dbraw/zinc/30/60/59/322306059.db2.gz VIUCGVYKJODCQL-GJZGRUSLSA-N 1 1 298.386 3.138 20 30 CGEDMO CN(C)c1cccc(C[N@@H+](C)CC#Cc2ccc(F)cc2)c1 ZINC000534840970 328363912 /nfs/dbraw/zinc/36/39/12/328363912.db2.gz KEGMYLQQNYMSDJ-UHFFFAOYSA-N 1 1 296.389 3.375 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(C(=O)OC)c(F)c1 ZINC000089100131 327029779 /nfs/dbraw/zinc/02/97/79/327029779.db2.gz QNPGTACJWVSROV-UHFFFAOYSA-N 1 1 265.328 3.010 20 30 CGEDMO C=C(C)C[N@@H+](CC)C[C@H](O)Cc1cccc(Cl)c1 ZINC000558086994 327064677 /nfs/dbraw/zinc/06/46/77/327064677.db2.gz IMNOEGNXHNWXKG-OAHLLOKOSA-N 1 1 267.800 3.141 20 30 CGEDMO N#CCSCCC[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000074989673 327122640 /nfs/dbraw/zinc/12/26/40/327122640.db2.gz CCMAWEMEORJFQH-OAHLLOKOSA-N 1 1 260.406 3.123 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000559400951 327243541 /nfs/dbraw/zinc/24/35/41/327243541.db2.gz TWQRUXPPLNJNTQ-GDBMZVCRSA-N 1 1 295.810 3.120 20 30 CGEDMO C=CCOc1ccccc1C[NH2+][C@@H](C)c1cncnc1C ZINC000574170387 327297019 /nfs/dbraw/zinc/29/70/19/327297019.db2.gz FVYNEHJGICSRRG-ZDUSSCGKSA-N 1 1 283.375 3.201 20 30 CGEDMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cn2)C1 ZINC000583358510 327318175 /nfs/dbraw/zinc/31/81/75/327318175.db2.gz WIDPLZAOTKFBIN-CABCVRRESA-N 1 1 275.421 3.059 20 30 CGEDMO COc1ccc(C[C@@H](C)C[N@@H+](C)CC(C)(C)C#N)cc1F ZINC000560570088 327326497 /nfs/dbraw/zinc/32/64/97/327326497.db2.gz NWIOORSNEZJWEO-CYBMUJFWSA-N 1 1 292.398 3.494 20 30 CGEDMO COc1ccc(C[C@H](C)C[N@@H+](C)CC(C)(C)C#N)cc1F ZINC000560570089 327326514 /nfs/dbraw/zinc/32/65/14/327326514.db2.gz NWIOORSNEZJWEO-ZDUSSCGKSA-N 1 1 292.398 3.494 20 30 CGEDMO C=CCCCCC[N@H+](C)CC(=O)N1CCCCCC1 ZINC000150876340 327394658 /nfs/dbraw/zinc/39/46/58/327394658.db2.gz SZGNTFVRJWXVSV-UHFFFAOYSA-N 1 1 266.429 3.067 20 30 CGEDMO C[C@@H]1Cc2c([nH+]cn2Cc2ccc(CC#N)cc2)C[C@@H]1C ZINC000399148427 328668533 /nfs/dbraw/zinc/66/85/33/328668533.db2.gz XXNTXLFGEIJDGK-UONOGXRCSA-N 1 1 279.387 3.368 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](C3CC3)C2)cc1 ZINC000377395105 329014025 /nfs/dbraw/zinc/01/40/25/329014025.db2.gz ZTCAITXEBPWKOR-XJKSGUPXSA-N 1 1 270.376 3.209 20 30 CGEDMO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc(C#N)cn1)CCC2 ZINC000582463229 329087209 /nfs/dbraw/zinc/08/72/09/329087209.db2.gz WSKRIWLFHRQSHO-OAHLLOKOSA-N 1 1 298.415 3.228 20 30 CGEDMO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccc(C#N)cn1)CCC2 ZINC000582463229 329087211 /nfs/dbraw/zinc/08/72/11/329087211.db2.gz WSKRIWLFHRQSHO-OAHLLOKOSA-N 1 1 298.415 3.228 20 30 CGEDMO C=CCCCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000175681093 329167747 /nfs/dbraw/zinc/16/77/47/329167747.db2.gz PVACTJYIMVAQFC-KRWDZBQOSA-N 1 1 286.419 3.124 20 30 CGEDMO Cn1cccc1[C@@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000178494806 329199485 /nfs/dbraw/zinc/19/94/85/329199485.db2.gz PDRIPGGPGQYOEV-SFHVURJKSA-N 1 1 282.362 3.353 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000181244311 329227181 /nfs/dbraw/zinc/22/71/81/329227181.db2.gz FCEAPWRLYOJENY-CQSZACIVSA-N 1 1 260.381 3.138 20 30 CGEDMO C=C(C)C[N@@H+](C)CCC(=O)Nc1ccc(Cl)cc1F ZINC000181249507 329227572 /nfs/dbraw/zinc/22/75/72/329227572.db2.gz RATBTMAWPGWTRZ-UHFFFAOYSA-N 1 1 284.762 3.316 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000181334539 329232005 /nfs/dbraw/zinc/23/20/05/329232005.db2.gz PZOMAYCHZCQORA-KRWDZBQOSA-N 1 1 275.392 3.252 20 30 CGEDMO CC(C)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cn2)CC1 ZINC000583091961 329314424 /nfs/dbraw/zinc/31/44/24/329314424.db2.gz ANDSJYNUAWXVBX-OAHLLOKOSA-N 1 1 257.381 3.211 20 30 CGEDMO C#CCCCC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000192374577 329431752 /nfs/dbraw/zinc/43/17/52/329431752.db2.gz RREDFVDNDMDZFG-CQSZACIVSA-N 1 1 295.386 3.161 20 30 CGEDMO C=CC1CC[NH+](Cc2nnc(Cc3ccccc3C)o2)CC1 ZINC000128637749 329610326 /nfs/dbraw/zinc/61/03/26/329610326.db2.gz APLFAEOMYOKSGQ-UHFFFAOYSA-N 1 1 297.402 3.367 20 30 CGEDMO C=C1CC[NH+](Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000271181310 330078099 /nfs/dbraw/zinc/07/80/99/330078099.db2.gz XEDAHMRHTNLOCL-UHFFFAOYSA-N 1 1 253.349 3.229 20 30 CGEDMO C=CCC(C)(C)C[NH2+][C@H](Cc1ccccc1)[C@@H](C)N ZINC000423139912 330172246 /nfs/dbraw/zinc/17/22/46/330172246.db2.gz WVXRGTUUPCUNLD-GDBMZVCRSA-N 1 1 260.425 3.137 20 30 CGEDMO C=CCn1cc(C[NH2+]Cc2ccc(C3CCC3)cc2)nn1 ZINC000424173401 330313747 /nfs/dbraw/zinc/31/37/47/330313747.db2.gz PRXFOSLISXBRSP-UHFFFAOYSA-N 1 1 282.391 3.021 20 30 CGEDMO C[C@@H]1CCC[C@H]([NH+]2CCC(N[C@@H]3CC[C@H](C#N)C3)CC2)C1 ZINC000424337095 330343541 /nfs/dbraw/zinc/34/35/41/330343541.db2.gz YWBGMGRVNUDPBI-ATLSCFEFSA-N 1 1 289.467 3.311 20 30 CGEDMO Cn1cc(C[N@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)cc1C#N ZINC000191660983 330349740 /nfs/dbraw/zinc/34/97/40/330349740.db2.gz ISBJFIYASISBDV-ZDUSSCGKSA-N 1 1 299.340 3.307 20 30 CGEDMO CC#CC[N@@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000119451974 330374420 /nfs/dbraw/zinc/37/44/20/330374420.db2.gz HUSXHMXOQCWTIH-UHFFFAOYSA-N 1 1 285.366 3.104 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000424586633 330390285 /nfs/dbraw/zinc/39/02/85/330390285.db2.gz FTSAFGSPLNRPJB-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000451256934 331022302 /nfs/dbraw/zinc/02/23/02/331022302.db2.gz PQECYAFELBNDIY-NVXWUHKLSA-N 1 1 286.419 3.081 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)cc1F ZINC000191869834 331026991 /nfs/dbraw/zinc/02/69/91/331026991.db2.gz GRMFQCBZQVSJML-LBPRGKRZSA-N 1 1 286.272 3.472 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)cc1F ZINC000191869834 331026992 /nfs/dbraw/zinc/02/69/92/331026992.db2.gz GRMFQCBZQVSJML-LBPRGKRZSA-N 1 1 286.272 3.472 20 30 CGEDMO CCO[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)C[C@@H]1C ZINC000451551057 331033983 /nfs/dbraw/zinc/03/39/83/331033983.db2.gz XKNVCHUQDSCUIE-LSDHHAIUSA-N 1 1 266.429 3.453 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451555029 331034113 /nfs/dbraw/zinc/03/41/13/331034113.db2.gz ASUUHAXFSNHAMA-AWEZNQCLSA-N 1 1 260.337 3.350 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000451554482 331034259 /nfs/dbraw/zinc/03/42/59/331034259.db2.gz ZZCTUBSJIHNHPA-KMFMINBZSA-N 1 1 299.374 3.466 20 30 CGEDMO CO[C@@H]1C[C@H]([N@@H+](C)CC#Cc2ccc(F)cc2)C12CCC2 ZINC000451834118 331044074 /nfs/dbraw/zinc/04/40/74/331044074.db2.gz ADSUKGVKPHUINK-DLBZAZTESA-N 1 1 287.378 3.067 20 30 CGEDMO C=C(C)CCN1CC[N@@H+](CCC(=C)C)CC(C)C1 ZINC000451895116 331046530 /nfs/dbraw/zinc/04/65/30/331046530.db2.gz XECMQKASFMOWCR-UHFFFAOYSA-N 1 1 250.430 3.173 20 30 CGEDMO C=CCCC(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000452354883 331063129 /nfs/dbraw/zinc/06/31/29/331063129.db2.gz MGMVUTDTAMFLCA-UHFFFAOYSA-N 1 1 269.348 3.206 20 30 CGEDMO C=CCC1(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)CCCC1 ZINC000453353090 331121052 /nfs/dbraw/zinc/12/10/52/331121052.db2.gz HJAMOIRETBVLFM-ARFHVFGLSA-N 1 1 264.457 3.441 20 30 CGEDMO CC#CCC[N@@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000459595826 331289840 /nfs/dbraw/zinc/28/98/40/331289840.db2.gz REUNITRZXGUSBJ-AWEZNQCLSA-N 1 1 293.208 3.394 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000459595826 331289841 /nfs/dbraw/zinc/28/98/41/331289841.db2.gz REUNITRZXGUSBJ-AWEZNQCLSA-N 1 1 293.208 3.394 20 30 CGEDMO CCOC[C@H]1CCCC[N@H+]1CC(C)(C)CCC#N ZINC000459669023 331291964 /nfs/dbraw/zinc/29/19/64/331291964.db2.gz CQIIJTADWSNWPU-CQSZACIVSA-N 1 1 252.402 3.207 20 30 CGEDMO C=CCOCCC[N@H+]1CCc2cccc(Cl)c2C1 ZINC000459697558 331294854 /nfs/dbraw/zinc/29/48/54/331294854.db2.gz YOYIMFBTLJUSKD-UHFFFAOYSA-N 1 1 265.784 3.291 20 30 CGEDMO CC#CC[N@@H+](CCc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000464780615 331367300 /nfs/dbraw/zinc/36/73/00/331367300.db2.gz RNQRZZJPLUDFIJ-SFHVURJKSA-N 1 1 271.404 3.042 20 30 CGEDMO C=CCCCCC[NH+]1CCC(CCN2CCOCC2)CC1 ZINC000486658900 331941270 /nfs/dbraw/zinc/94/12/70/331941270.db2.gz QDXGNOPQKIDUSQ-UHFFFAOYSA-N 1 1 294.483 3.167 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000489422595 332051352 /nfs/dbraw/zinc/05/13/52/332051352.db2.gz GBCYCWXEJXUBQC-NVXWUHKLSA-N 1 1 286.419 3.247 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)NCc1ccc(Cl)s1 ZINC000489437972 332052428 /nfs/dbraw/zinc/05/24/28/332052428.db2.gz XBFRMINSUSPFOS-LLVKDONJSA-N 1 1 298.839 3.058 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(Cl)s1 ZINC000489437972 332052429 /nfs/dbraw/zinc/05/24/29/332052429.db2.gz XBFRMINSUSPFOS-LLVKDONJSA-N 1 1 298.839 3.058 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CCOc1cccc(OC)c1 ZINC000489446657 332052641 /nfs/dbraw/zinc/05/26/41/332052641.db2.gz IHIPEYKOWOJWSB-CQSZACIVSA-N 1 1 261.365 3.115 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CCCC(=O)OC(C)(C)C ZINC000489442263 332052793 /nfs/dbraw/zinc/05/27/93/332052793.db2.gz VXUQLPAODOMFED-ZDUSSCGKSA-N 1 1 253.386 3.149 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCc2ccccc21 ZINC000489442838 332052825 /nfs/dbraw/zinc/05/28/25/332052825.db2.gz BJYXQAYLTUEVQH-MRXNPFEDSA-N 1 1 284.403 3.006 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C)c1C ZINC000489466850 332054279 /nfs/dbraw/zinc/05/42/79/332054279.db2.gz ZPQGSUYPXZACRG-HNNXBMFYSA-N 1 1 272.392 3.282 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(C)c1C ZINC000489466850 332054281 /nfs/dbraw/zinc/05/42/81/332054281.db2.gz ZPQGSUYPXZACRG-HNNXBMFYSA-N 1 1 272.392 3.282 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000489469464 332054534 /nfs/dbraw/zinc/05/45/34/332054534.db2.gz BISYYXNWCRUHFX-CYBMUJFWSA-N 1 1 276.336 3.144 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000489469464 332054536 /nfs/dbraw/zinc/05/45/36/332054536.db2.gz BISYYXNWCRUHFX-CYBMUJFWSA-N 1 1 276.336 3.144 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)NC1(c2ccccc2)CCC1 ZINC000489479299 332055232 /nfs/dbraw/zinc/05/52/32/332055232.db2.gz ORTSMJPMDKPVHO-QGZVFWFLSA-N 1 1 298.430 3.223 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)NC1(c2ccccc2)CCC1 ZINC000489479299 332055233 /nfs/dbraw/zinc/05/52/33/332055233.db2.gz ORTSMJPMDKPVHO-QGZVFWFLSA-N 1 1 298.430 3.223 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CCc1ccc2c(c1)OCCO2 ZINC000489483920 332055557 /nfs/dbraw/zinc/05/55/57/332055557.db2.gz FSBDOBLFKUMVJF-OAHLLOKOSA-N 1 1 273.376 3.041 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000491133955 332155004 /nfs/dbraw/zinc/15/50/04/332155004.db2.gz USAFDMLLZZYZAF-HOTGVXAUSA-N 1 1 286.419 3.150 20 30 CGEDMO C#CC[N@H+](Cc1cncn1C(C)C)C1CCCCC1 ZINC000491453426 332214426 /nfs/dbraw/zinc/21/44/26/332214426.db2.gz RDQPFTATKUDVJD-UHFFFAOYSA-N 1 1 259.397 3.232 20 30 CGEDMO CO[C@]1(C)C[C@@H]([N@@H+](C)CCCC(C)(C)C#N)C1(C)C ZINC000174882500 333009921 /nfs/dbraw/zinc/00/99/21/333009921.db2.gz IDEFGQKMSXPBCW-CZUORRHYSA-N 1 1 266.429 3.452 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000513366414 333015531 /nfs/dbraw/zinc/01/55/31/333015531.db2.gz KGASZECIYFVNES-UHFFFAOYSA-N 1 1 262.372 3.304 20 30 CGEDMO C=C(C)C[NH+]1CCC(N[C@@H](C)c2sccc2OC)CC1 ZINC000186156362 333155723 /nfs/dbraw/zinc/15/57/23/333155723.db2.gz NXPBKHXNSMLXHA-ZDUSSCGKSA-N 1 1 294.464 3.448 20 30 CGEDMO C=CC[N@H+](C)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000189706064 333198243 /nfs/dbraw/zinc/19/82/43/333198243.db2.gz WHABFONNNYWZTO-UHFFFAOYSA-N 1 1 261.365 3.260 20 30 CGEDMO C[C@H]1CSCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000190462665 333207241 /nfs/dbraw/zinc/20/72/41/333207241.db2.gz JPBGZJAARKZLBD-CYBMUJFWSA-N 1 1 279.836 3.376 20 30 CGEDMO C[N@H+](CC#Cc1ccccc1)Cc1ccc(F)c(F)c1 ZINC000191934304 333227560 /nfs/dbraw/zinc/22/75/60/333227560.db2.gz YXOKMEZKMJDLOB-UHFFFAOYSA-N 1 1 271.310 3.448 20 30 CGEDMO C[N@@H+](CC#Cc1ccccc1)Cc1ccc(F)c(F)c1 ZINC000191934304 333227562 /nfs/dbraw/zinc/22/75/62/333227562.db2.gz YXOKMEZKMJDLOB-UHFFFAOYSA-N 1 1 271.310 3.448 20 30 CGEDMO CCC[N@@H+](CC#Cc1ccccc1)C[C@@H]1CCCCO1 ZINC000192101803 333229623 /nfs/dbraw/zinc/22/96/23/333229623.db2.gz SUTVRZWQPKAZFF-SFHVURJKSA-N 1 1 271.404 3.319 20 30 CGEDMO C[C@H](O)C[C@H]1CCCC[N@H+]1CCCCC(C)(C)C#N ZINC000235548283 333370712 /nfs/dbraw/zinc/37/07/12/333370712.db2.gz PNZPGJBUAWKTCU-LSDHHAIUSA-N 1 1 266.429 3.332 20 30 CGEDMO C=C1CC[NH+](CC(=O)N[C@@H](C)c2ccc(CC)cc2)CC1 ZINC000524676799 333370849 /nfs/dbraw/zinc/37/08/49/333370849.db2.gz LZVRSUKZJCEJND-HNNXBMFYSA-N 1 1 286.419 3.078 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC000546608993 334039854 /nfs/dbraw/zinc/03/98/54/334039854.db2.gz JEAOEZZDMJKGOB-CYBMUJFWSA-N 1 1 253.386 3.149 20 30 CGEDMO C=CCC[N@@H+](C)Cc1csc([C@@H](C)OCC)n1 ZINC000075887950 334057410 /nfs/dbraw/zinc/05/74/10/334057410.db2.gz IHMPWNVCRDPLBO-LLVKDONJSA-N 1 1 254.399 3.249 20 30 CGEDMO C=CCC[N@H+](C)Cc1csc([C@@H](C)OCC)n1 ZINC000075887950 334057411 /nfs/dbraw/zinc/05/74/11/334057411.db2.gz IHMPWNVCRDPLBO-LLVKDONJSA-N 1 1 254.399 3.249 20 30 CGEDMO Clc1ccccc1C#CC[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000135027809 334112559 /nfs/dbraw/zinc/11/25/59/334112559.db2.gz SRJIUEDALAIOCP-MRXNPFEDSA-N 1 1 299.805 3.225 20 30 CGEDMO Clc1ccccc1C#CC[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000135027809 334112560 /nfs/dbraw/zinc/11/25/60/334112560.db2.gz SRJIUEDALAIOCP-MRXNPFEDSA-N 1 1 299.805 3.225 20 30 CGEDMO C[N@@H+](CC#Cc1ccccc1Cl)C[C@H]1CCCOC1 ZINC000135062678 334114187 /nfs/dbraw/zinc/11/41/87/334114187.db2.gz DLOJLBDWWWGEDP-CQSZACIVSA-N 1 1 277.795 3.050 20 30 CGEDMO CC#CC[NH2+][C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 ZINC000135266390 334122703 /nfs/dbraw/zinc/12/27/03/334122703.db2.gz VBVYUVQGBIZIFZ-GOSISDBHSA-N 1 1 292.382 3.288 20 30 CGEDMO C=CCN(CC=C)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000079393066 334153211 /nfs/dbraw/zinc/15/32/11/334153211.db2.gz OPFAUBQQIKCCJX-INIZCTEOSA-N 1 1 293.455 3.025 20 30 CGEDMO C[C@@H]1C[C@H](C)[N@@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000548753022 334169618 /nfs/dbraw/zinc/16/96/18/334169618.db2.gz HZOVFNXPYAXQCR-TXEJJXNPSA-N 1 1 283.293 3.419 20 30 CGEDMO CC(C)c1[nH+]ccn1CCC(=O)Nc1ccccc1CC#N ZINC000550099782 334212906 /nfs/dbraw/zinc/21/29/06/334212906.db2.gz NNUBDFXUDJUGKU-UHFFFAOYSA-N 1 1 296.374 3.101 20 30 CGEDMO CC#CC[N@@H+](C)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000550140176 334214068 /nfs/dbraw/zinc/21/40/68/334214068.db2.gz CEFXFDRBRMICED-UHFFFAOYSA-N 1 1 273.376 3.097 20 30 CGEDMO Clc1cccc(C#CC[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000551423610 334250189 /nfs/dbraw/zinc/25/01/89/334250189.db2.gz NVTGOTACZREBRM-SJORKVTESA-N 1 1 289.806 3.335 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000552214690 334304001 /nfs/dbraw/zinc/30/40/01/334304001.db2.gz DEQRYCKSHVTTAU-ABAIWWIYSA-N 1 1 273.767 3.360 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000248938272 334322475 /nfs/dbraw/zinc/32/24/75/334322475.db2.gz NNYAOGBVDXTNCX-NVXWUHKLSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccc2cc(OC)ccc2c1 ZINC000553653504 334394504 /nfs/dbraw/zinc/39/45/04/334394504.db2.gz XRBQKAXTULUDFA-UHFFFAOYSA-N 1 1 285.387 3.483 20 30 CGEDMO C[C@]1(c2ccccc2)CC[N@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000577127377 335305854 /nfs/dbraw/zinc/30/58/54/335305854.db2.gz GLVMJVCJPIHNGS-UAGQMJEPSA-N 1 1 254.377 3.342 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000577147911 335309009 /nfs/dbraw/zinc/30/90/09/335309009.db2.gz LJGCKEMTZJVYPH-HNNXBMFYSA-N 1 1 276.428 3.395 20 30 CGEDMO N#Cc1c(NCC[N@@H+]2CC=CCC2)cccc1C(F)F ZINC000577388824 335346832 /nfs/dbraw/zinc/34/68/32/335346832.db2.gz PJXAIDDBDMZQQH-UHFFFAOYSA-N 1 1 277.318 3.170 20 30 CGEDMO C[C@@H](C#N)C[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000183827867 335908355 /nfs/dbraw/zinc/90/83/55/335908355.db2.gz AESJGZDBBUPSLH-AWEZNQCLSA-N 1 1 290.370 3.275 20 30 CGEDMO C=CCOCC[N@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000581239068 336029426 /nfs/dbraw/zinc/02/94/26/336029426.db2.gz FIHWAQAKAUWBMS-DVQDXYAYSA-N 1 1 257.377 3.367 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)nc1 ZINC000581832120 336149514 /nfs/dbraw/zinc/14/95/14/336149514.db2.gz VEJFPHQKBITBBU-HNNXBMFYSA-N 1 1 295.361 3.157 20 30 CGEDMO C=CCCCC[N@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000581984593 336184590 /nfs/dbraw/zinc/18/45/90/336184590.db2.gz OTBQISCKYJMCJF-IRXDYDNUSA-N 1 1 277.383 3.143 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)C[C@@H](O)c1ccc(F)cc1 ZINC000264745920 500595227 /nfs/dbraw/zinc/59/52/27/500595227.db2.gz TUNIRVQESCTKLK-OAHLLOKOSA-N 1 1 278.371 3.121 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@@H](O)c1ccc(F)cc1 ZINC000264745920 500595234 /nfs/dbraw/zinc/59/52/34/500595234.db2.gz TUNIRVQESCTKLK-OAHLLOKOSA-N 1 1 278.371 3.121 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCOC1CCC1 ZINC000425542505 534078082 /nfs/dbraw/zinc/07/80/82/534078082.db2.gz YFOALNSSLFVUCZ-ZDUSSCGKSA-N 1 1 258.365 3.120 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCO[C@H]1CCCCO1 ZINC000425537747 534078795 /nfs/dbraw/zinc/07/87/95/534078795.db2.gz QZAPDDNEQNWYKT-YOEHRIQHSA-N 1 1 288.391 3.094 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(F)cn1 ZINC000425536959 534082315 /nfs/dbraw/zinc/08/23/15/534082315.db2.gz PTAUARBISQTVLK-LBPRGKRZSA-N 1 1 269.323 3.285 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(F)cn1 ZINC000425536959 534082322 /nfs/dbraw/zinc/08/23/22/534082322.db2.gz PTAUARBISQTVLK-LBPRGKRZSA-N 1 1 269.323 3.285 20 30 CGEDMO C[C@@H]1[N@@H+](Cc2ccc(CC#N)cc2)CCC12CCOCC2 ZINC000336531405 534092332 /nfs/dbraw/zinc/09/23/32/534092332.db2.gz OEKZGPWVFVAMGN-HNNXBMFYSA-N 1 1 284.403 3.144 20 30 CGEDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428360993 534234447 /nfs/dbraw/zinc/23/44/47/534234447.db2.gz CZENGUSBHDMTSN-ZDUSSCGKSA-N 1 1 298.361 3.466 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1c(C)cccc1CC ZINC000048617362 518598714 /nfs/dbraw/zinc/59/87/14/518598714.db2.gz PZWYNLNTQNQYQX-UHFFFAOYSA-N 1 1 274.408 3.394 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1c(C)cccc1CC ZINC000048617362 518598724 /nfs/dbraw/zinc/59/87/24/518598724.db2.gz PZWYNLNTQNQYQX-UHFFFAOYSA-N 1 1 274.408 3.394 20 30 CGEDMO CC1(C)CCC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000087657834 520329581 /nfs/dbraw/zinc/32/95/81/520329581.db2.gz WUNKUUBAMHGYNE-MRXNPFEDSA-N 1 1 272.392 3.104 20 30 CGEDMO CC[C@H]1CCC[N@@H+](CCOc2ccc(C#N)cc2OC)C1 ZINC000157570083 523089989 /nfs/dbraw/zinc/08/99/89/523089989.db2.gz UCTFQJOUFFPMCI-AWEZNQCLSA-N 1 1 288.391 3.068 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+](CCCO)Cc1ccccc1 ZINC000428375214 534762798 /nfs/dbraw/zinc/76/27/98/534762798.db2.gz RSPSBNRSIYESQQ-UHFFFAOYSA-N 1 1 298.361 3.082 20 30 CGEDMO N#Cc1c(F)cccc1C[N@@H+](CCCO)Cc1ccccc1 ZINC000428375214 534762805 /nfs/dbraw/zinc/76/28/05/534762805.db2.gz RSPSBNRSIYESQQ-UHFFFAOYSA-N 1 1 298.361 3.082 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000428211335 534763861 /nfs/dbraw/zinc/76/38/61/534763861.db2.gz WXXRRFSQGLSKIC-MRXNPFEDSA-N 1 1 258.340 3.462 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](Cc3ccncc3)C2)c1 ZINC000368620868 534785496 /nfs/dbraw/zinc/78/54/96/534785496.db2.gz FRFPBGVJIGGFHA-MRXNPFEDSA-N 1 1 295.361 3.157 20 30 CGEDMO C[C@H](c1cccnc1)[N@H+](C)Cc1ccc(C#N)s1 ZINC000183728348 526132448 /nfs/dbraw/zinc/13/24/48/526132448.db2.gz MBUKMOBUXWZPAA-LLVKDONJSA-N 1 1 257.362 3.208 20 30 CGEDMO C[C@H](c1cccnc1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000183728348 526132452 /nfs/dbraw/zinc/13/24/52/526132452.db2.gz MBUKMOBUXWZPAA-LLVKDONJSA-N 1 1 257.362 3.208 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCC[C@H]1c1nnc([C@@H]2CCCO2)o1 ZINC000347309792 526444490 /nfs/dbraw/zinc/44/44/90/526444490.db2.gz CQTOEKMYVQACIE-KBPBESRZSA-N 1 1 291.395 3.414 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H]1c1nnc([C@@H]2CCCO2)o1 ZINC000347309792 526444500 /nfs/dbraw/zinc/44/45/00/526444500.db2.gz CQTOEKMYVQACIE-KBPBESRZSA-N 1 1 291.395 3.414 20 30 CGEDMO C=C(C)CC[N@@H+]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000352011468 526445590 /nfs/dbraw/zinc/44/55/90/526445590.db2.gz BPFBLPBVRJYGMJ-INIZCTEOSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351978336 526546716 /nfs/dbraw/zinc/54/67/16/526546716.db2.gz RBYLFVUPKYKOHH-UHFFFAOYSA-N 1 1 264.325 3.001 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1ccc([N+](=O)[O-])cc1F ZINC000352737491 526547618 /nfs/dbraw/zinc/54/76/18/526547618.db2.gz GDWRQWAWMPMYIS-UHFFFAOYSA-N 1 1 252.289 3.132 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc([N+](=O)[O-])cc1F ZINC000352737491 526547623 /nfs/dbraw/zinc/54/76/23/526547623.db2.gz GDWRQWAWMPMYIS-UHFFFAOYSA-N 1 1 252.289 3.132 20 30 CGEDMO C=C(C)C[N@H+](CCOC1CCC1)Cc1cnn(C(C)C)c1 ZINC000347143122 526552288 /nfs/dbraw/zinc/55/22/88/526552288.db2.gz XFQCOBCOPOVCGF-UHFFFAOYSA-N 1 1 291.439 3.411 20 30 CGEDMO C=CCOCCC[N@H+](C)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000348059119 526748164 /nfs/dbraw/zinc/74/81/64/526748164.db2.gz VUCSOOLNJXWNNP-HZPDHXFCSA-N 1 1 281.440 3.249 20 30 CGEDMO C=CC[C@@H](CC)NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000347709413 527043441 /nfs/dbraw/zinc/04/34/41/527043441.db2.gz UIXFCPGBVUKGRO-JKSUJKDBSA-N 1 1 295.471 3.295 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OCC ZINC000353743645 527192131 /nfs/dbraw/zinc/19/21/31/527192131.db2.gz YCCOUSNLRYOTGM-UHFFFAOYSA-N 1 1 278.352 3.392 20 30 CGEDMO CC[N@H+]1CC[C@H](N(C)Cc2cccc(F)c2C#N)C[C@H]1C ZINC000428243961 527836015 /nfs/dbraw/zinc/83/60/15/527836015.db2.gz XNASUHDJMYYQJY-HIFRSBDPSA-N 1 1 289.398 3.002 20 30 CGEDMO CC[N@H+](CCC#N)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000347355918 528373118 /nfs/dbraw/zinc/37/31/18/528373118.db2.gz JPQMDPQGFSHYAX-JLHYYAGUSA-N 1 1 273.336 3.234 20 30 CGEDMO CC[N@@H+](CCC#N)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000347355918 528373123 /nfs/dbraw/zinc/37/31/23/528373123.db2.gz JPQMDPQGFSHYAX-JLHYYAGUSA-N 1 1 273.336 3.234 20 30 CGEDMO CC[N@@H+](CCN[C@H](C)c1ccc(C#N)cc1F)C(C)C ZINC000358577687 528517055 /nfs/dbraw/zinc/51/70/55/528517055.db2.gz UVOWCLMNXMEZLS-CYBMUJFWSA-N 1 1 277.387 3.078 20 30 CGEDMO CC(C)C[C@H](C[NH3+])N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000423272902 528520143 /nfs/dbraw/zinc/52/01/43/528520143.db2.gz ZPPMOZJNRJKSIV-SJLPKXTDSA-N 1 1 285.435 3.289 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C1CC1 ZINC000437419151 528770009 /nfs/dbraw/zinc/77/00/09/528770009.db2.gz NIWXUCGIKGOJLJ-UHFFFAOYSA-N 1 1 266.291 3.144 20 30 CGEDMO CCC([NH3+])(CC)CN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000423290643 528954310 /nfs/dbraw/zinc/95/43/10/528954310.db2.gz DWFVZBOQPRFVRN-KRWDZBQOSA-N 1 1 285.435 3.433 20 30 CGEDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000439440830 529238392 /nfs/dbraw/zinc/23/83/92/529238392.db2.gz QTMOYQQRFJVRTK-HZPDHXFCSA-N 1 1 292.810 3.337 20 30 CGEDMO CCOC[C@H]1CCCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000459725201 535708326 /nfs/dbraw/zinc/70/83/26/535708326.db2.gz XHFCFCIXZKOFBV-MRXNPFEDSA-N 1 1 297.402 3.202 20 30 CGEDMO CC[C@@]1(C)CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459338177 536038746 /nfs/dbraw/zinc/03/87/46/536038746.db2.gz AKLWPQOCGNUIEZ-INIZCTEOSA-N 1 1 287.363 3.479 20 30 CGEDMO CC[C@@]1(C)CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459338177 536038754 /nfs/dbraw/zinc/03/87/54/536038754.db2.gz AKLWPQOCGNUIEZ-INIZCTEOSA-N 1 1 287.363 3.479 20 30 CGEDMO CN(C)c1ccc(C=[NH+]NCc2ccc(F)cc2F)cc1 ZINC000727061686 571710674 /nfs/dbraw/zinc/71/06/74/571710674.db2.gz KNUHFIGXFNMEJY-UHFFFAOYSA-N 1 1 289.329 3.155 20 30 CGEDMO C#Cc1cccc(N(CC)C(=O)CCCn2cc[nH+]c2C)c1 ZINC000728539556 571810515 /nfs/dbraw/zinc/81/05/15/571810515.db2.gz RLFSPVMDDZSYHX-UHFFFAOYSA-N 1 1 295.386 3.006 20 30 CGEDMO C[C@@H]1C[C@@H](C)[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000740859862 571886308 /nfs/dbraw/zinc/88/63/08/571886308.db2.gz NQDKONKUUYTIEM-ZIAGYGMSSA-N 1 1 280.375 3.110 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)C[C@@H](CC)c1ccccc1 ZINC000729812119 571932478 /nfs/dbraw/zinc/93/24/78/571932478.db2.gz MDGAHAOHHDSCAY-SJLPKXTDSA-N 1 1 299.414 3.211 20 30 CGEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cc2ccccc2s1 ZINC000729809135 571932809 /nfs/dbraw/zinc/93/28/09/571932809.db2.gz IODXSNXIOVGJEU-AWEZNQCLSA-N 1 1 299.395 3.156 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cc2ccccc2s1 ZINC000729809135 571932811 /nfs/dbraw/zinc/93/28/11/571932811.db2.gz IODXSNXIOVGJEU-AWEZNQCLSA-N 1 1 299.395 3.156 20 30 CGEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@@H]1C ZINC000169992708 571974807 /nfs/dbraw/zinc/97/48/07/571974807.db2.gz ULZJEANHYDFPCM-DOTOQJQBSA-N 1 1 289.419 3.029 20 30 CGEDMO C=CC[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)C(C)C ZINC000750817663 572328969 /nfs/dbraw/zinc/32/89/69/572328969.db2.gz SDFOXRNUYLSMMC-UHFFFAOYSA-N 1 1 265.328 3.130 20 30 CGEDMO C#CC[N@@H+](Cc1cccc(OC)n1)[C@H]1CCc2ccccc21 ZINC000738304650 572370668 /nfs/dbraw/zinc/37/06/68/572370668.db2.gz MTPDOIWJAMZEBW-SFHVURJKSA-N 1 1 292.382 3.213 20 30 CGEDMO C#CC[N@H+](Cc1cccc(OC)n1)[C@H]1CCc2ccccc21 ZINC000738304650 572370670 /nfs/dbraw/zinc/37/06/70/572370670.db2.gz MTPDOIWJAMZEBW-SFHVURJKSA-N 1 1 292.382 3.213 20 30 CGEDMO C#CC[N@@H+](Cc1cccc(OC)n1)[C@@H]1CCc2ccccc21 ZINC000738304649 572371093 /nfs/dbraw/zinc/37/10/93/572371093.db2.gz MTPDOIWJAMZEBW-GOSISDBHSA-N 1 1 292.382 3.213 20 30 CGEDMO C#CC[N@H+](Cc1cccc(OC)n1)[C@@H]1CCc2ccccc21 ZINC000738304649 572371096 /nfs/dbraw/zinc/37/10/96/572371096.db2.gz MTPDOIWJAMZEBW-GOSISDBHSA-N 1 1 292.382 3.213 20 30 CGEDMO C[N@@H+](CCOc1cccc(C#N)c1)CCc1ccccc1F ZINC000731672463 572421458 /nfs/dbraw/zinc/42/14/58/572421458.db2.gz QRKXMKNMSFLUPJ-UHFFFAOYSA-N 1 1 298.361 3.251 20 30 CGEDMO CC[N@H+]1CCC(=NN[C@H](C)c2ccccc2)[C@@H](C)C1 ZINC000741461139 572499929 /nfs/dbraw/zinc/49/99/29/572499929.db2.gz FFEQUMPFDKAZHK-UONOGXRCSA-N 1 1 259.397 3.055 20 30 CGEDMO CC[N@@H+](CCCOc1ccc(C#N)cc1)Cc1ccoc1 ZINC000726598411 572587632 /nfs/dbraw/zinc/58/76/32/572587632.db2.gz RSPYVVMEKHJIMS-UHFFFAOYSA-N 1 1 284.359 3.442 20 30 CGEDMO C=C(Cl)C[N@H+](Cc1ccccc1)C[C@H](C)C(=O)OC ZINC000726692206 572592477 /nfs/dbraw/zinc/59/24/77/572592477.db2.gz AUCSMDJDJMTNAT-LBPRGKRZSA-N 1 1 281.783 3.050 20 30 CGEDMO C=C(Cl)C[N@@H+](Cc1ccccc1)C[C@H](C)C(=O)OC ZINC000726692206 572592480 /nfs/dbraw/zinc/59/24/80/572592480.db2.gz AUCSMDJDJMTNAT-LBPRGKRZSA-N 1 1 281.783 3.050 20 30 CGEDMO Cc1ccccc1NC(=O)CC[N@H+](CCC#N)CC(C)C ZINC000743251768 572643606 /nfs/dbraw/zinc/64/36/06/572643606.db2.gz WGRJCVXHVNGTNO-UHFFFAOYSA-N 1 1 287.407 3.195 20 30 CGEDMO C=C(Cl)C[NH2+][C@@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000735563931 572731082 /nfs/dbraw/zinc/73/10/82/572731082.db2.gz YTNJBIWDWBTDME-LBPRGKRZSA-N 1 1 293.716 3.255 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000736945147 572827017 /nfs/dbraw/zinc/82/70/17/572827017.db2.gz DEGPFQUITAMCAD-ZDUSSCGKSA-N 1 1 253.748 3.443 20 30 CGEDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000745948637 572841993 /nfs/dbraw/zinc/84/19/93/572841993.db2.gz OJEGMPFDWITATF-UKRRQHHQSA-N 1 1 258.365 3.209 20 30 CGEDMO C#CC[N@@H+](CC)[C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000746457496 572872234 /nfs/dbraw/zinc/87/22/34/572872234.db2.gz GCWVOCHPRXISPX-AWEZNQCLSA-N 1 1 286.419 3.266 20 30 CGEDMO C#CC[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000746457496 572872238 /nfs/dbraw/zinc/87/22/38/572872238.db2.gz GCWVOCHPRXISPX-AWEZNQCLSA-N 1 1 286.419 3.266 20 30 CGEDMO C=CCC[N@H+](C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC000749812413 573041480 /nfs/dbraw/zinc/04/14/80/573041480.db2.gz VTFQELJITUQDSY-AWEZNQCLSA-N 1 1 284.444 3.434 20 30 CGEDMO C[C@@H]1CC(=NN2CC[NH+](C)CC2)C[C@@H](c2ccccc2)C1 ZINC000749853294 573047306 /nfs/dbraw/zinc/04/73/06/573047306.db2.gz JIUKGYXKZUDBOS-RDJZCZTQSA-N 1 1 285.435 3.194 20 30 CGEDMO CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000926437985 618676577 /nfs/dbraw/zinc/67/65/77/618676577.db2.gz FQUJWCUQCWVQBH-KBPBESRZSA-N 1 1 253.434 3.025 20 30 CGEDMO CCCC[N@H+](C)C[C@H](C)N[C@@H](C)CC(C)(C)C#N ZINC000926437985 618676586 /nfs/dbraw/zinc/67/65/86/618676586.db2.gz FQUJWCUQCWVQBH-KBPBESRZSA-N 1 1 253.434 3.025 20 30 CGEDMO CCCC[N@@H+](C)C[C@H](C)N[C@@H](C)CC(C)(C)C#N ZINC000926437985 618676588 /nfs/dbraw/zinc/67/65/88/618676588.db2.gz FQUJWCUQCWVQBH-KBPBESRZSA-N 1 1 253.434 3.025 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)C2(C)CCCCC2)CC1 ZINC000981872564 613251217 /nfs/dbraw/zinc/25/12/17/613251217.db2.gz NTIQDYHTKQBJDI-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@H](C)C2)CC1 ZINC000981845777 613254475 /nfs/dbraw/zinc/25/44/75/613254475.db2.gz XQSGHRBZAGGFKM-IRXDYDNUSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cccs2)C[C@@H]1C ZINC000947013185 613272114 /nfs/dbraw/zinc/27/21/14/613272114.db2.gz KUYWYQLFUVLARI-KBPBESRZSA-N 1 1 292.448 3.297 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)C2(CC)CCCCC2)C1 ZINC000980456320 613283037 /nfs/dbraw/zinc/28/30/37/613283037.db2.gz JJCWVITUHHKDDY-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC000971531999 613285589 /nfs/dbraw/zinc/28/55/89/613285589.db2.gz MXPMGMQVOVPVLI-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)C2(F)CCCC2)CC1 ZINC000948570201 613314652 /nfs/dbraw/zinc/31/46/52/613314652.db2.gz IKLLMNWDQYZUJW-HNNXBMFYSA-N 1 1 296.430 3.158 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@@]2(C)C=CCC2)CC1 ZINC000948680402 613314994 /nfs/dbraw/zinc/31/49/94/613314994.db2.gz HPIFTQJVTOKIEQ-WMZOPIPTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)C[C@H](C)C2CCCCC2)CC1 ZINC000951722183 613317061 /nfs/dbraw/zinc/31/70/61/613317061.db2.gz OFYHEBDBBYMQAA-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)oc2C)C[C@H]1C ZINC000947032926 613329304 /nfs/dbraw/zinc/32/93/04/613329304.db2.gz WFIGJXCQLGDJFY-IUODEOHRSA-N 1 1 290.407 3.055 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)s2)C[C@H]1C ZINC000948082361 613329662 /nfs/dbraw/zinc/32/96/62/613329662.db2.gz BPQAEUPDZUWOQK-VXGBXAGGSA-N 1 1 296.411 3.046 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cccc(C)c2)[C@H](C)C1 ZINC000941777099 613329800 /nfs/dbraw/zinc/32/98/00/613329800.db2.gz MOJTXURJGQZTEK-NVXWUHKLSA-N 1 1 286.419 3.011 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C)C[C@@H]1C ZINC000947008857 613329846 /nfs/dbraw/zinc/32/98/46/613329846.db2.gz BVCOENVSZWGUGT-JKSUJKDBSA-N 1 1 286.419 3.154 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(Cl)o2)C[C@@H]1C ZINC000947061209 613329884 /nfs/dbraw/zinc/32/98/84/613329884.db2.gz NOQBPMFZGCTWIX-NWDGAFQWSA-N 1 1 296.798 3.092 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2csc(C)c2)C[C@H]1C ZINC000947809976 613331557 /nfs/dbraw/zinc/33/15/57/613331557.db2.gz HWTDUJCIKGHGFF-IUODEOHRSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](C)[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC000968565597 613333984 /nfs/dbraw/zinc/33/39/84/613333984.db2.gz HNJHSTOKDMLPSQ-LUKYLMHMSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)CC2=CCCCC2)[C@@H](C)C1 ZINC000941897729 613334883 /nfs/dbraw/zinc/33/48/83/613334883.db2.gz YIYGLSSTFSDDIK-RDJZCZTQSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C2CCCCCC2)[C@H](C)C1 ZINC000941869217 613335029 /nfs/dbraw/zinc/33/50/29/613335029.db2.gz HLYNAXNNDZZNDN-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccoc2Cl)C[C@H]1C ZINC000947250847 613336453 /nfs/dbraw/zinc/33/64/53/613336453.db2.gz YQSLDMBRNDFNEA-NEPJUHHUSA-N 1 1 296.798 3.092 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccoc2Cl)C[C@@H]1C ZINC000947250850 613336513 /nfs/dbraw/zinc/33/65/13/613336513.db2.gz YQSLDMBRNDFNEA-RYUDHWBXSA-N 1 1 296.798 3.092 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C(CC)CC)CC[C@@H]2C1 ZINC000946483196 613343388 /nfs/dbraw/zinc/34/33/88/613343388.db2.gz JGRQOEWIETYAEI-CALCHBBNSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)C(C)(C)CC)C2)C1 ZINC000981971274 613372668 /nfs/dbraw/zinc/37/26/68/613372668.db2.gz QPEGOKATDRRPCO-UHFFFAOYSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)C(C)(C)CC)C2)C1 ZINC000981971274 613372669 /nfs/dbraw/zinc/37/26/69/613372669.db2.gz QPEGOKATDRRPCO-UHFFFAOYSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC2(C)C)CC1 ZINC000948306515 613374258 /nfs/dbraw/zinc/37/42/58/613374258.db2.gz JBGNEZGGURKSGL-KGLIPLIRSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(C)CCCC2)[C@H](C)C1 ZINC000942541056 613378392 /nfs/dbraw/zinc/37/83/92/613378392.db2.gz UNXSASDPJIRRSK-OCCSQVGLSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(C)CCCC2)[C@H](C)C1 ZINC000942541056 613378393 /nfs/dbraw/zinc/37/83/93/613378393.db2.gz UNXSASDPJIRRSK-OCCSQVGLSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CCCCC2)[C@@H](C)C1 ZINC000941754740 613378422 /nfs/dbraw/zinc/37/84/22/613378422.db2.gz CNHODAKMPUGKLT-WFASDCNBSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CCCCC2)[C@@H](C)C1 ZINC000941754740 613378423 /nfs/dbraw/zinc/37/84/23/613378423.db2.gz CNHODAKMPUGKLT-WFASDCNBSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2C[N@@H+](CC(C)C)CC[C@@H]2C)CC1 ZINC000968153784 613412772 /nfs/dbraw/zinc/41/27/72/613412772.db2.gz MMDHYGFTOTYSIZ-RDJZCZTQSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@@](C)(C=C)CC)C2)C1 ZINC000981987617 613489390 /nfs/dbraw/zinc/48/93/90/613489390.db2.gz FYOKMEDFYDQYKF-KRWDZBQOSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@H+]1CCCN(C(=O)CCC2CCCC2)CC1 ZINC000980651484 613492507 /nfs/dbraw/zinc/49/25/07/613492507.db2.gz KCDZOBCWGRLDDH-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)F)C1 ZINC000963231647 613501559 /nfs/dbraw/zinc/50/15/59/613501559.db2.gz MEMGBDIRWPJDQK-CABCVRRESA-N 1 1 296.430 3.014 20 30 CGEDMO C=Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=C)C)[C@H](C)C2)cc1 ZINC000947735041 613514406 /nfs/dbraw/zinc/51/44/06/613514406.db2.gz INZOOTDCZGKJRY-CRAIPNDOSA-N 1 1 298.430 3.488 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC000965864219 613516451 /nfs/dbraw/zinc/51/64/51/613516451.db2.gz SMJVAGDBKOKAGT-ZIAGYGMSSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)C2CCC(=C)CC2)[C@@H](C)C1 ZINC000942600931 613520205 /nfs/dbraw/zinc/52/02/05/613520205.db2.gz WXJFTINMFRYALD-DOTOQJQBSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)C2CCC2)C(C)(C)C1 ZINC000940835853 613522737 /nfs/dbraw/zinc/52/27/37/613522737.db2.gz DZLCEBCAFJMWAE-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CC2CC(C)(C)C2)C[C@H]1C ZINC000947653346 613534744 /nfs/dbraw/zinc/53/47/44/613534744.db2.gz MFRJQDSZYKZHGL-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](NC(=O)C(F)=C2CCCC2)C(C)(C)C1 ZINC000973043189 613543380 /nfs/dbraw/zinc/54/33/80/613543380.db2.gz NPDJXDFUKCJQKY-CQSZACIVSA-N 1 1 294.414 3.187 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)c2oc3ccccc3c2C)C1 ZINC000980325442 613625363 /nfs/dbraw/zinc/62/53/63/613625363.db2.gz NUMVNGZUEGQNJX-CQSZACIVSA-N 1 1 298.386 3.074 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC000969018176 613683221 /nfs/dbraw/zinc/68/32/21/613683221.db2.gz XJYPRZTUFKPHAP-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)CC2(C)CCCCC2)CC1 ZINC000981595320 613688341 /nfs/dbraw/zinc/68/83/41/613688341.db2.gz KIERZZSMWJNUFM-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)C2CCCCC2)CC1 ZINC000948145227 613700422 /nfs/dbraw/zinc/70/04/22/613700422.db2.gz CGQLOJPWJJOJKZ-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC2CCC2)C1 ZINC000963276619 613702922 /nfs/dbraw/zinc/70/29/22/613702922.db2.gz SQDRFYOVFXDQIB-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)C[C@H]2C=CCCC2)CC1 ZINC000948542350 613704284 /nfs/dbraw/zinc/70/42/84/613704284.db2.gz QNBMQNXTBAQHAX-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cscc2Cl)C[C@@H]1C ZINC000947427312 613760390 /nfs/dbraw/zinc/76/03/90/613760390.db2.gz ZZGUIOAPLNNQFM-WDEREUQCSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc(Cl)cs2)C1 ZINC000968387324 613768465 /nfs/dbraw/zinc/76/84/65/613768465.db2.gz YNZNRTXZPYGIOM-JQWIXIFHSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc(Cl)cs2)C1 ZINC000968387324 613768469 /nfs/dbraw/zinc/76/84/69/613768469.db2.gz YNZNRTXZPYGIOM-JQWIXIFHSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2CCCCCC2)C[C@H]1C ZINC000947129598 613781005 /nfs/dbraw/zinc/78/10/05/613781005.db2.gz CQGJBBBVXSPQFW-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C)c2C)C[C@H]1C ZINC000947993598 613791263 /nfs/dbraw/zinc/79/12/63/613791263.db2.gz DQTJAPHFMZGELO-ZBFHGGJFSA-N 1 1 286.419 3.072 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C)C(C)(C)C1 ZINC000940547125 613792321 /nfs/dbraw/zinc/79/23/21/613792321.db2.gz FSKDXTWNPIXJQE-INIZCTEOSA-N 1 1 286.419 3.011 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)c2cscc2Cl)[C@H](C)C1 ZINC000942155696 613799577 /nfs/dbraw/zinc/79/95/77/613799577.db2.gz KEAKXMMFZRDFOA-MFKMUULPSA-N 1 1 298.839 3.028 20 30 CGEDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000247264340 618078153 /nfs/dbraw/zinc/07/81/53/618078153.db2.gz RVFGOSXTTFDODC-JCGIZDLHSA-N 1 1 286.419 3.492 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC(C)(C)C)C1 ZINC001021524042 618021073 /nfs/dbraw/zinc/02/10/73/618021073.db2.gz VJOHPMUKGYWNFS-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(CC)CC)C1 ZINC001021523555 618022259 /nfs/dbraw/zinc/02/22/59/618022259.db2.gz OAJRRUSDTKQVDE-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(F)=C(C)C)C1 ZINC001021562597 618045089 /nfs/dbraw/zinc/04/50/89/618045089.db2.gz LIUCHCXUJCQAHF-LSDHHAIUSA-N 1 1 294.414 3.139 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(C)cc2)C1 ZINC001021722099 618111248 /nfs/dbraw/zinc/11/12/48/618111248.db2.gz LEOIVNLTHIACKA-MSOLQXFVSA-N 1 1 298.430 3.108 20 30 CGEDMO CCCCC(N)=[NH+]OCc1noc(C2CCCCC2)n1 ZINC000160726982 618137293 /nfs/dbraw/zinc/13/72/93/618137293.db2.gz HRYXMNLLWNBINK-UHFFFAOYSA-N 1 1 280.372 3.096 20 30 CGEDMO C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2cc[nH]n2)cc1 ZINC000177958851 618158788 /nfs/dbraw/zinc/15/87/88/618158788.db2.gz DRIGKMXZJPLJMX-GFCCVEGCSA-N 1 1 291.782 3.392 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2nc(C(C)(C)C)cs2)C1 ZINC000847024854 618172099 /nfs/dbraw/zinc/17/20/99/618172099.db2.gz LXYDIOQNFBXVJM-LBPRGKRZSA-N 1 1 262.422 3.286 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2nc(C(C)(C)C)cs2)C1 ZINC000847024854 618172101 /nfs/dbraw/zinc/17/21/01/618172101.db2.gz LXYDIOQNFBXVJM-LBPRGKRZSA-N 1 1 262.422 3.286 20 30 CGEDMO CCON=C1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000841615578 618217494 /nfs/dbraw/zinc/21/74/94/618217494.db2.gz CFTQPNHCWIYCAG-INIZCTEOSA-N 1 1 258.365 3.378 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC000891479316 618230882 /nfs/dbraw/zinc/23/08/82/618230882.db2.gz JEAZQHSUHZQCSZ-JTQLQIEISA-N 1 1 274.311 3.394 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)cs1 ZINC000891479316 618230883 /nfs/dbraw/zinc/23/08/83/618230883.db2.gz JEAZQHSUHZQCSZ-JTQLQIEISA-N 1 1 274.311 3.394 20 30 CGEDMO C=CC1(CC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)CCCCC1 ZINC000933433509 618231295 /nfs/dbraw/zinc/23/12/95/618231295.db2.gz DVDASONOPMUTEB-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCC[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933629856 618263908 /nfs/dbraw/zinc/26/39/08/618263908.db2.gz PQCGGFBBWCVEMD-QGZVFWFLSA-N 1 1 270.376 3.288 20 30 CGEDMO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000934110283 618469763 /nfs/dbraw/zinc/46/97/63/618469763.db2.gz XUBVWHJAMUIHQW-ZIAGYGMSSA-N 1 1 298.308 3.186 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000934460487 618622832 /nfs/dbraw/zinc/62/28/32/618622832.db2.gz JMPYOKKZOKQYSY-SMDDNHRTSA-N 1 1 269.747 3.163 20 30 CGEDMO Cc1cc(F)c(C#N)c(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000892301253 618663769 /nfs/dbraw/zinc/66/37/69/618663769.db2.gz WDAGWIKRFMWUAI-GFCCVEGCSA-N 1 1 284.338 3.113 20 30 CGEDMO C#C[C@H]([NH2+]Cc1occc1Br)C(C)(C)C ZINC000309071430 618761605 /nfs/dbraw/zinc/76/16/05/618761605.db2.gz DOVBOTFALRTSPP-NSHDSACASA-N 1 1 270.170 3.180 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000177054443 618781613 /nfs/dbraw/zinc/78/16/13/618781613.db2.gz DCTKXRZDNZNEPP-OAHLLOKOSA-N 1 1 264.800 3.340 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1/N=C/c1ccccc1O ZINC000154221301 618826276 /nfs/dbraw/zinc/82/62/76/618826276.db2.gz IQHUVCMSNWWOIB-ZKWKGFFBSA-N 1 1 294.398 3.332 20 30 CGEDMO C#C[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1F)[C@H]1CCCO1 ZINC000775806500 619103651 /nfs/dbraw/zinc/10/36/51/619103651.db2.gz LYYDIDDHDKAVPB-LEWSCRJBSA-N 1 1 281.758 3.311 20 30 CGEDMO N#CCC[N@@H+](Cc1cc(Cl)ccc1O)CC1CC1 ZINC000093091385 619165553 /nfs/dbraw/zinc/16/55/53/619165553.db2.gz OIJLECNMIBGSSK-UHFFFAOYSA-N 1 1 264.756 3.171 20 30 CGEDMO N#CCC[N@H+](Cc1cc(Cl)ccc1O)CC1CC1 ZINC000093091385 619165555 /nfs/dbraw/zinc/16/55/55/619165555.db2.gz OIJLECNMIBGSSK-UHFFFAOYSA-N 1 1 264.756 3.171 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1csc(C#N)c1 ZINC000893419747 619170348 /nfs/dbraw/zinc/17/03/48/619170348.db2.gz HYAVLEKLIZPZML-UHFFFAOYSA-N 1 1 272.373 3.443 20 30 CGEDMO CO[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000931474603 619180184 /nfs/dbraw/zinc/18/01/84/619180184.db2.gz NVIRVDALRFWKOU-XHDPSFHLSA-N 1 1 278.783 3.211 20 30 CGEDMO C[C@@H](c1ccncc1)[N@H+](C)Cc1csc(C#N)c1 ZINC000893538925 619209255 /nfs/dbraw/zinc/20/92/55/619209255.db2.gz BYBYVSLXCLSBRS-NSHDSACASA-N 1 1 257.362 3.208 20 30 CGEDMO C[C@@H](c1ccncc1)[N@@H+](C)Cc1csc(C#N)c1 ZINC000893538925 619209257 /nfs/dbraw/zinc/20/92/57/619209257.db2.gz BYBYVSLXCLSBRS-NSHDSACASA-N 1 1 257.362 3.208 20 30 CGEDMO C=C(Br)C[NH2+]Cc1ccc(Cl)cc1F ZINC000162976725 619243914 /nfs/dbraw/zinc/24/39/14/619243914.db2.gz SYXGPHAYDDWLSR-UHFFFAOYSA-N 1 1 278.552 3.477 20 30 CGEDMO CC(C)(C)OC[C@@H]1CCC[N@H+]1CCc1ccc(C#N)cc1 ZINC000932167911 619307108 /nfs/dbraw/zinc/30/71/08/619307108.db2.gz BBGIOULSTCKKSZ-KRWDZBQOSA-N 1 1 286.419 3.380 20 30 CGEDMO CC[N@@H+](Cc1cccc2c1NCCC2)C[C@H](C)C#N ZINC000893995560 619345362 /nfs/dbraw/zinc/34/53/62/619345362.db2.gz QVUHALNLKZJDDD-CYBMUJFWSA-N 1 1 257.381 3.026 20 30 CGEDMO CC[N@H+](Cc1cccc2c1NCCC2)C[C@H](C)C#N ZINC000893995560 619345364 /nfs/dbraw/zinc/34/53/64/619345364.db2.gz QVUHALNLKZJDDD-CYBMUJFWSA-N 1 1 257.381 3.026 20 30 CGEDMO C#C[C@@H]([NH2+][C@H]1COC2(CCC2)C1)c1ccc(Cl)cc1F ZINC000894406414 619522761 /nfs/dbraw/zinc/52/27/61/619522761.db2.gz LZZMSVBWFFRREK-IUODEOHRSA-N 1 1 293.769 3.455 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@H+]2CCCSCC2)c1O ZINC000164116832 619527456 /nfs/dbraw/zinc/52/74/56/619527456.db2.gz BXDCOTIAXLCWRD-UHFFFAOYSA-N 1 1 293.432 3.068 20 30 CGEDMO C=CCCCCCCNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000894833377 619647369 /nfs/dbraw/zinc/64/73/69/619647369.db2.gz SURAPVXVJABVLE-HOTGVXAUSA-N 1 1 293.455 3.001 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cnn(C)c1C1CC1 ZINC000895017324 619696409 /nfs/dbraw/zinc/69/64/09/619696409.db2.gz BKEVFCWERXQAMZ-CYBMUJFWSA-N 1 1 294.402 3.362 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1cc2cccc(OC)c2o1 ZINC000054183613 619721483 /nfs/dbraw/zinc/72/14/83/619721483.db2.gz HCHWTJCFCVLALL-LBPRGKRZSA-N 1 1 258.321 3.223 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@H](c3cccnc3)C2)cs1 ZINC000895099138 619728073 /nfs/dbraw/zinc/72/80/73/619728073.db2.gz YIDQNBXHQCHGBM-AWEZNQCLSA-N 1 1 269.373 3.004 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2cnn(C3CCC3)c2)C1 ZINC000895337766 619807461 /nfs/dbraw/zinc/80/74/61/619807461.db2.gz LKESRAWSEVEBOI-CQSZACIVSA-N 1 1 259.397 3.396 20 30 CGEDMO C#CCCCCCC[NH+]1CCC(C)(N2CCC2)CC1 ZINC000895672783 619869930 /nfs/dbraw/zinc/86/99/30/619869930.db2.gz YIDRJGKARFRPOM-UHFFFAOYSA-N 1 1 262.441 3.130 20 30 CGEDMO C[C@H]1[C@H](Nc2cccc(C(F)F)c2C#N)CC[N@H+]1C ZINC000895735931 619879828 /nfs/dbraw/zinc/87/98/28/619879828.db2.gz INECXDCLYGJVMI-JOYOIKCWSA-N 1 1 265.307 3.000 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)n1 ZINC000895788563 619885776 /nfs/dbraw/zinc/88/57/76/619885776.db2.gz ZIAVVCMINKGARN-FZMZJTMJSA-N 1 1 295.308 3.118 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCC[C@H](C#N)C2)c(-c2ccnn2C)c1 ZINC000896503775 620018459 /nfs/dbraw/zinc/01/84/59/620018459.db2.gz NGNUFGJPLUSOAG-OAHLLOKOSA-N 1 1 294.402 3.131 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@H](C#N)C2)c(-c2ccnn2C)c1 ZINC000896503775 620018462 /nfs/dbraw/zinc/01/84/62/620018462.db2.gz NGNUFGJPLUSOAG-OAHLLOKOSA-N 1 1 294.402 3.131 20 30 CGEDMO C#Cc1cncc(-c2noc([C@@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)n2)c1 ZINC000896560286 620027124 /nfs/dbraw/zinc/02/71/24/620027124.db2.gz OMPKSMHARQTVDS-FRRDWIJNSA-N 1 1 296.374 3.047 20 30 CGEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)C(CC)CC)CC1 ZINC000985276873 620154163 /nfs/dbraw/zinc/15/41/63/620154163.db2.gz KWKRKSVBXFUDPB-UHFFFAOYSA-N 1 1 286.847 3.098 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCCC3(CC3)C2)CC1 ZINC000985433962 620188864 /nfs/dbraw/zinc/18/88/64/620188864.db2.gz QUXLOJNXVPFRGH-OAHLLOKOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[C@@H]([NH2+][C@@H](C)c1cc2n(n1)CCC2)c1ccncc1 ZINC000840723452 620205322 /nfs/dbraw/zinc/20/53/22/620205322.db2.gz PIXGVGQJHKPSAE-XJKSGUPXSA-N 1 1 282.391 3.192 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)C2(C)CCCC2)CC1 ZINC000985559162 620211047 /nfs/dbraw/zinc/21/10/47/620211047.db2.gz PPCWOTBGZGMSFN-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)CC2CCCCCC2)CC1 ZINC000985675194 620228690 /nfs/dbraw/zinc/22/86/90/620228690.db2.gz PVUXISQMAILLAD-UHFFFAOYSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)C[C@H]2CCCC[C@@H]2C)CC1 ZINC000985810615 620241495 /nfs/dbraw/zinc/24/14/95/620241495.db2.gz GZUBXBRHFRAHFK-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(OCc2ccccc2)cc1 ZINC000169204389 620270081 /nfs/dbraw/zinc/27/00/81/620270081.db2.gz OFWWVSQHZAYQPE-UHFFFAOYSA-N 1 1 265.356 3.331 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC000862445167 620299117 /nfs/dbraw/zinc/29/91/17/620299117.db2.gz NJCGJFOJYACDMW-NSHDSACASA-N 1 1 251.732 3.324 20 30 CGEDMO CC(C)(CCC#N)C[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000897591274 620405603 /nfs/dbraw/zinc/40/56/03/620405603.db2.gz JNUNUOMTMODWQI-QGZVFWFLSA-N 1 1 297.402 3.262 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000897591274 620405604 /nfs/dbraw/zinc/40/56/04/620405604.db2.gz JNUNUOMTMODWQI-QGZVFWFLSA-N 1 1 297.402 3.262 20 30 CGEDMO CCc1ccc(C[N@H+](C)Cc2cc(C#N)cs2)o1 ZINC000897626272 620413017 /nfs/dbraw/zinc/41/30/17/620413017.db2.gz WBQNEECIXZXZPT-UHFFFAOYSA-N 1 1 260.362 3.407 20 30 CGEDMO CCc1ccc(C[N@@H+](C)Cc2cc(C#N)cs2)o1 ZINC000897626272 620413021 /nfs/dbraw/zinc/41/30/21/620413021.db2.gz WBQNEECIXZXZPT-UHFFFAOYSA-N 1 1 260.362 3.407 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1ccc(-n2cncn2)c(F)c1 ZINC000898246278 620497050 /nfs/dbraw/zinc/49/70/50/620497050.db2.gz PAIUSRULEIDZCG-UHFFFAOYSA-N 1 1 288.370 3.195 20 30 CGEDMO C=CC[N@H+]1CCCN(C(=O)c2ccc(C(C)C)s2)CC1 ZINC000989757063 620523751 /nfs/dbraw/zinc/52/37/51/620523751.db2.gz IWUYIOOXICIPEG-UHFFFAOYSA-N 1 1 292.448 3.205 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)c2ccc(C(C)C)s2)CC1 ZINC000989757063 620523754 /nfs/dbraw/zinc/52/37/54/620523754.db2.gz IWUYIOOXICIPEG-UHFFFAOYSA-N 1 1 292.448 3.205 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)C[C@@H]2CCCC[C@H]2C)CC1 ZINC000989773154 620525147 /nfs/dbraw/zinc/52/51/47/620525147.db2.gz NATJUISEPKLPLM-SJORKVTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)C3CCCC3)CCC[C@@H]12 ZINC000989897475 620530124 /nfs/dbraw/zinc/53/01/24/620530124.db2.gz UKVDXIKJIGUDSX-SJLPKXTDSA-N 1 1 290.451 3.256 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)O[C@H](C)c1cccc(C#N)c1 ZINC000923889746 620564660 /nfs/dbraw/zinc/56/46/60/620564660.db2.gz VTYSEAVFCFTKTB-CZUORRHYSA-N 1 1 286.375 3.035 20 30 CGEDMO C=CCCC[N@@H+](CC)Cn1c2c(sc1=O)CCCC2 ZINC000902669026 621396077 /nfs/dbraw/zinc/39/60/77/621396077.db2.gz HSRIJLLURFIJON-UHFFFAOYSA-N 1 1 280.437 3.034 20 30 CGEDMO C=CCCC[N@H+](CC)Cn1c2c(sc1=O)CCCC2 ZINC000902669026 621396082 /nfs/dbraw/zinc/39/60/82/621396082.db2.gz HSRIJLLURFIJON-UHFFFAOYSA-N 1 1 280.437 3.034 20 30 CGEDMO CC[C@@H]([NH2+]Cc1cscn1)c1cccc(C#N)c1 ZINC000902782286 621439307 /nfs/dbraw/zinc/43/93/07/621439307.db2.gz CHRSVXPZUAVCMJ-CQSZACIVSA-N 1 1 257.362 3.256 20 30 CGEDMO CC(C)n1cc([C@H](C)[NH2+][C@H](C)c2cc(C#N)ccn2)cn1 ZINC000902801855 621440516 /nfs/dbraw/zinc/44/05/16/621440516.db2.gz FYGXKQHJDLLYIF-QWHCGFSZSA-N 1 1 283.379 3.142 20 30 CGEDMO COc1ccc(C)cc1C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902850525 621472635 /nfs/dbraw/zinc/47/26/35/621472635.db2.gz OROAXMOXCRRNHT-CYBMUJFWSA-N 1 1 281.359 3.121 20 30 CGEDMO Cc1ccc2c(c1C)OC[C@H]2[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902860764 621478814 /nfs/dbraw/zinc/47/88/14/621478814.db2.gz PBVMGYWDWZNMBS-SUMWQHHRSA-N 1 1 293.370 3.354 20 30 CGEDMO COCC[C@@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1ccc(C)o1 ZINC000902943424 621496307 /nfs/dbraw/zinc/49/63/07/621496307.db2.gz ZOSRZEBIILFYPD-DZGCQCFKSA-N 1 1 299.374 3.283 20 30 CGEDMO N#CC1(C[NH2+][C@H]2CCCOc3ccccc32)CCC1 ZINC000903030405 621535313 /nfs/dbraw/zinc/53/53/13/621535313.db2.gz AAINJFNQOZIYDX-AWEZNQCLSA-N 1 1 256.349 3.184 20 30 CGEDMO Cc1ncc([C@H](C)[NH2+][C@H](C)c2cc(C#N)ccn2)s1 ZINC000903077450 621559403 /nfs/dbraw/zinc/55/94/03/621559403.db2.gz JLKWGJFPHHUHCG-ZJUUUORDSA-N 1 1 272.377 3.130 20 30 CGEDMO C=C(CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccccc1 ZINC000903083966 621564689 /nfs/dbraw/zinc/56/46/89/621564689.db2.gz RODKVZBMQCVQRU-JLYLLQBASA-N 1 1 282.431 3.447 20 30 CGEDMO C=C(CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000903083966 621564691 /nfs/dbraw/zinc/56/46/91/621564691.db2.gz RODKVZBMQCVQRU-JLYLLQBASA-N 1 1 282.431 3.447 20 30 CGEDMO COc1cc(C)c([C@@H](C)[NH2+]CC(C)(C)C#N)cc1OC ZINC000903100318 621573160 /nfs/dbraw/zinc/57/31/60/621573160.db2.gz NLFNJRQSPANVES-GFCCVEGCSA-N 1 1 276.380 3.213 20 30 CGEDMO CCOc1ccc([C@@H](C)[NH2+]CC(C)(C)C#N)cc1[N+](=O)[O-] ZINC000903099963 621573173 /nfs/dbraw/zinc/57/31/73/621573173.db2.gz DPCGMUHIVKTDFJ-LLVKDONJSA-N 1 1 291.351 3.194 20 30 CGEDMO COc1ccc2c(c1)[C@@H]([NH2+]CC1(C#N)CC1)CCS2 ZINC000903105400 621578429 /nfs/dbraw/zinc/57/84/29/621578429.db2.gz CBYMUQNBCREABE-ZDUSSCGKSA-N 1 1 274.389 3.125 20 30 CGEDMO Cc1ccc([C@H](C)[NH2+]CC2(C#N)CCCC2)c(C)n1 ZINC000903108369 621581998 /nfs/dbraw/zinc/58/19/98/621581998.db2.gz AWZGZRGNCYYRQR-ZDUSSCGKSA-N 1 1 257.381 3.433 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CC1)c1cc2c(ccnc2Cl)o1 ZINC000903109229 621583106 /nfs/dbraw/zinc/58/31/06/621583106.db2.gz LEVGPUCPFBRDIB-VIFPVBQESA-N 1 1 275.739 3.436 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccncc2CC)no1 ZINC000904615124 621945955 /nfs/dbraw/zinc/94/59/55/621945955.db2.gz ATLQYHLSXKBTBU-CYBMUJFWSA-N 1 1 272.352 3.050 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccc(OC)c(O[C@H](C)CC)c1 ZINC000769108016 625559030 /nfs/dbraw/zinc/55/90/30/625559030.db2.gz WTUOVOJYDMZVIB-CQSZACIVSA-N 1 1 275.392 3.328 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910776795 622505234 /nfs/dbraw/zinc/50/52/34/622505234.db2.gz FGDPCCSRRZSWOU-UHFFFAOYSA-N 1 1 298.430 3.076 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910776795 622505238 /nfs/dbraw/zinc/50/52/38/622505238.db2.gz FGDPCCSRRZSWOU-UHFFFAOYSA-N 1 1 298.430 3.076 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H](C)C3CCC3)CCC[C@H]12 ZINC000991327650 622533321 /nfs/dbraw/zinc/53/33/21/622533321.db2.gz FINKWQVFDVULDQ-UWWQBHOKSA-N 1 1 290.451 3.112 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCSC[C@H](C)C2)cc1 ZINC000190850114 622991163 /nfs/dbraw/zinc/99/11/63/622991163.db2.gz IWOWHKHVBIMUQL-KGLIPLIRSA-N 1 1 290.432 3.162 20 30 CGEDMO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(F)cc1O ZINC000062747684 623267276 /nfs/dbraw/zinc/26/72/76/623267276.db2.gz IGEAZRVKGRUVTR-NSHDSACASA-N 1 1 270.307 3.254 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC3(C)C)CCC[C@H]12 ZINC000992117874 623441235 /nfs/dbraw/zinc/44/12/35/623441235.db2.gz JHUGJRLMKBGFSQ-RVKKMQEKSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3CC)CCC[C@@H]12 ZINC000992243950 623486876 /nfs/dbraw/zinc/48/68/76/623486876.db2.gz XERCFWXQKMBHDQ-YFHUEUNASA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[C@H]2CC)CC1 ZINC000997308793 625676610 /nfs/dbraw/zinc/67/66/10/625676610.db2.gz JOYSQZFKIKRKTL-UMVBOHGHSA-N 1 1 298.858 3.002 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C=C2CCCCC2)[C@@H]1C ZINC000993083517 623828141 /nfs/dbraw/zinc/82/81/41/623828141.db2.gz UOLXZIUGITVFAB-GOEBONIOSA-N 1 1 276.424 3.032 20 30 CGEDMO N#CCC[N@H+]1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000914789434 623860899 /nfs/dbraw/zinc/86/08/99/623860899.db2.gz UUBVBLHPKZXKQJ-ZDUSSCGKSA-N 1 1 264.756 3.097 20 30 CGEDMO N#CCC[N@@H+]1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000914789434 623860901 /nfs/dbraw/zinc/86/09/01/623860901.db2.gz UUBVBLHPKZXKQJ-ZDUSSCGKSA-N 1 1 264.756 3.097 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C2C(C)(C)C2(C)C)[C@H]1C ZINC000993186351 623910057 /nfs/dbraw/zinc/91/00/57/623910057.db2.gz PJGDXMBCRRIDPD-KGLIPLIRSA-N 1 1 292.467 3.214 20 30 CGEDMO C[C@H](C/N=C\c1ccccc1O)[N@H+]1CCCC[C@H]1C ZINC000915270892 623935527 /nfs/dbraw/zinc/93/55/27/623935527.db2.gz DYUOOYUWNUIJQN-BZDXGLJRSA-N 1 1 260.381 3.074 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2cc(C)cs2)[C@H]1C ZINC000993303928 624002495 /nfs/dbraw/zinc/00/24/95/624002495.db2.gz AHPPPZVFLMLGPU-KGLIPLIRSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)coc2C)[C@@H]1C ZINC000993307172 624005042 /nfs/dbraw/zinc/00/50/42/624005042.db2.gz CMVOHIAKOVZSBE-DZGCQCFKSA-N 1 1 290.407 3.055 20 30 CGEDMO Cc1[nH]c(CSc2nc(C)cc(C)c2C#N)c(C)[nH+]1 ZINC000915569091 624009431 /nfs/dbraw/zinc/00/94/31/624009431.db2.gz SXMUTOQYYFFQAQ-UHFFFAOYSA-N 1 1 272.377 3.202 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C2CCCC2)[C@H]1C ZINC000993444735 624050617 /nfs/dbraw/zinc/05/06/17/624050617.db2.gz QLJGMVQDKYAEDQ-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C2CCCC2)[C@@H]1C ZINC000993444736 624050691 /nfs/dbraw/zinc/05/06/91/624050691.db2.gz QLJGMVQDKYAEDQ-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC)s2)[C@H]1C ZINC000993551282 624053120 /nfs/dbraw/zinc/05/31/20/624053120.db2.gz ATYRNRMOFNOYTO-OCCSQVGLSA-N 1 1 292.448 3.079 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C2(C)CC(=C)C2)[C@H]1C ZINC000993793488 624062606 /nfs/dbraw/zinc/06/26/06/624062606.db2.gz UJDUPPUZNBYVQU-HZPDHXFCSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](CCCC)[C@H]2C)C1 ZINC000993795489 624064169 /nfs/dbraw/zinc/06/41/69/624064169.db2.gz XTVURKCAELJWSV-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](C/C=C/Cl)[C@H]2C)C1 ZINC000993795484 624064174 /nfs/dbraw/zinc/06/41/74/624064174.db2.gz XTGXDEZDOJPIBP-CXSYMGSUSA-N 1 1 296.842 3.064 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](C/C=C/Cl)[C@H]2C)C1 ZINC000993795484 624064177 /nfs/dbraw/zinc/06/41/77/624064177.db2.gz XTGXDEZDOJPIBP-CXSYMGSUSA-N 1 1 296.842 3.064 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C=C)cc2)[C@H]1C ZINC000993853675 624065368 /nfs/dbraw/zinc/06/53/68/624065368.db2.gz AGHKEVLMAALBEU-PBHICJAKSA-N 1 1 284.403 3.098 20 30 CGEDMO Fc1ccc(N[NH+]=Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000916268234 624133804 /nfs/dbraw/zinc/13/38/04/624133804.db2.gz RUUVAYXWTROZTJ-UHFFFAOYSA-N 1 1 299.349 3.108 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C)c2C)[C@H]1C ZINC000994327613 624205453 /nfs/dbraw/zinc/20/54/53/624205453.db2.gz LBJPOTPQGPFBCI-NVXWUHKLSA-N 1 1 286.419 3.072 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)c(C)s2)[C@H]1C ZINC000994369305 624206505 /nfs/dbraw/zinc/20/65/05/624206505.db2.gz XLKACPCWBICRLT-TZMCWYRMSA-N 1 1 292.448 3.134 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccoc2C(C)C)[C@H]1C ZINC000994487828 624241739 /nfs/dbraw/zinc/24/17/39/624241739.db2.gz PNMUFWYAEOJJSE-HIFRSBDPSA-N 1 1 290.407 3.172 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1ccc(OC(F)F)cc1)C(C)C ZINC000917166707 624248678 /nfs/dbraw/zinc/24/86/78/624248678.db2.gz BEDVXICLABSNDN-UHFFFAOYSA-N 1 1 298.333 3.123 20 30 CGEDMO C#CCC[N@H+](C)Cc1ccc2cc(OC)ccc2c1 ZINC000920415806 624491295 /nfs/dbraw/zinc/49/12/95/624491295.db2.gz NLPWCQUATLSGQL-UHFFFAOYSA-N 1 1 253.345 3.304 20 30 CGEDMO CCCCCCCCCN(C)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000920813227 624543267 /nfs/dbraw/zinc/54/32/67/624543267.db2.gz DDFURTRJOPQHIL-INIZCTEOSA-N 1 1 297.487 3.473 20 30 CGEDMO C=CCCC(=O)O[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000183173849 625050855 /nfs/dbraw/zinc/05/08/55/625050855.db2.gz GZZORRYOJGRZKY-INIZCTEOSA-N 1 1 273.376 3.160 20 30 CGEDMO Cc1cc(Br)c(O)c(C[NH2+]CC(C)(C)C#N)c1 ZINC000757907183 626813870 /nfs/dbraw/zinc/81/38/70/626813870.db2.gz SZQZZHBTEBBKFW-UHFFFAOYSA-N 1 1 297.196 3.103 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](N(CC)C(=O)C2CC(C)C2)CC1 ZINC000997961608 625777365 /nfs/dbraw/zinc/77/73/65/625777365.db2.gz QDOVQFCTGNLOAM-JCYILVPMSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)c2coc(C)c2)CC1 ZINC000997981790 625779229 /nfs/dbraw/zinc/77/92/29/625779229.db2.gz ISDPKQPIUDGBHX-INIZCTEOSA-N 1 1 290.407 3.091 20 30 CGEDMO CCOC(=O)/C=C/C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000756094312 625779751 /nfs/dbraw/zinc/77/97/51/625779751.db2.gz RDCSTTULJFOIMJ-UZYOAWRESA-N 1 1 286.375 3.060 20 30 CGEDMO C#Cc1ccc(C(=O)N(CC)[C@@H]2CCC[N@@H+](CC)CC2)cc1 ZINC000998079822 625787213 /nfs/dbraw/zinc/78/72/13/625787213.db2.gz KLZAJKBJPQJVKU-GOSISDBHSA-N 1 1 298.430 3.004 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)C2CCCCCC2)CC1 ZINC001000496951 625875680 /nfs/dbraw/zinc/87/56/80/625875680.db2.gz SEDSQKRTVULIBS-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)c2ccccc2CC)CC1 ZINC001001084922 625889450 /nfs/dbraw/zinc/88/94/50/625889450.db2.gz HUAPMPMWKPAJTD-UHFFFAOYSA-N 1 1 298.430 3.187 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)C[C@@H]2CC=CCC2)CC1 ZINC001003442801 625979770 /nfs/dbraw/zinc/97/97/70/625979770.db2.gz DQQKJQKOBCPOFY-CQSZACIVSA-N 1 1 296.842 3.066 20 30 CGEDMO N#CC1(C[NH2+]Cc2cccc3c2OCC3)CCCCC1 ZINC000922250756 625990535 /nfs/dbraw/zinc/99/05/35/625990535.db2.gz UJPSSIYGRJLANA-UHFFFAOYSA-N 1 1 270.376 3.185 20 30 CGEDMO COc1ccnc(C[NH2+]Cc2c(C)cc(C#N)cc2C)c1F ZINC000922250580 625990568 /nfs/dbraw/zinc/99/05/68/625990568.db2.gz QBVFDQZSAWGQFW-UHFFFAOYSA-N 1 1 299.349 3.008 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2C[C@@]2(C)C(C)C)CC1 ZINC001003882924 625995287 /nfs/dbraw/zinc/99/52/87/625995287.db2.gz YRBPUJLMVLUUJM-HOCLYGCPSA-N 1 1 298.858 3.002 20 30 CGEDMO C[C@@H](C(=O)OCC1CCC(C#N)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000922476458 626008525 /nfs/dbraw/zinc/00/85/25/626008525.db2.gz BHPDREGBPNCGHI-GJROSEKXSA-N 1 1 292.423 3.121 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@@H](c2ccccn2)C2CC2)c(F)c1 ZINC000922584713 626016761 /nfs/dbraw/zinc/01/67/61/626016761.db2.gz NPZCBVYXRAYLOF-QGZVFWFLSA-N 1 1 281.334 3.333 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC([C@H]2CCC[N@@H+]2CC)CC1 ZINC001004497711 626063839 /nfs/dbraw/zinc/06/38/39/626063839.db2.gz CUYCMZXFIZNALF-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C[C@@]1([NH2+]Cc2ccccc2C#N)CCOc2ccccc21 ZINC000923025019 626120861 /nfs/dbraw/zinc/12/08/61/626120861.db2.gz MRNDTNAQPZAZST-GOSISDBHSA-N 1 1 278.355 3.346 20 30 CGEDMO Cc1ccc(N2CCC[N@H+]([C@H](C)CCC#N)CC2)cc1 ZINC000839469673 626354684 /nfs/dbraw/zinc/35/46/84/626354684.db2.gz LPCNPYKCBXZHNW-MRXNPFEDSA-N 1 1 271.408 3.199 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000751482386 626392690 /nfs/dbraw/zinc/39/26/90/626392690.db2.gz LVFHRTJFORSXGS-GOSISDBHSA-N 1 1 293.370 3.321 20 30 CGEDMO C=CC[N@@H+](C[C@H](O)COc1cc(C)ccc1Cl)C(C)C ZINC000754007967 626471836 /nfs/dbraw/zinc/47/18/36/626471836.db2.gz RRNYUGZROHNVNX-AWEZNQCLSA-N 1 1 297.826 3.285 20 30 CGEDMO CC(C)[N@@H+]1CC(N=Nc2cc(F)c(F)cc2F)[C@H](C)C1 ZINC000754257826 626565252 /nfs/dbraw/zinc/56/52/52/626565252.db2.gz FHHGEIPYZFEADQ-SECBINFHSA-N 1 1 285.313 3.232 20 30 CGEDMO Cc1c([C@H](C)[NH2+]CC2(C#N)CC2)cnn1-c1ccccc1 ZINC000754688792 626582294 /nfs/dbraw/zinc/58/22/94/626582294.db2.gz LNECAUNKZIQUFM-ZDUSSCGKSA-N 1 1 280.375 3.135 20 30 CGEDMO C=C(CC)COC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC000754872100 626591814 /nfs/dbraw/zinc/59/18/14/626591814.db2.gz MUXIPOUDPIILTI-UHFFFAOYSA-N 1 1 253.386 3.149 20 30 CGEDMO C[C@@H]1C[N@H+](C2CC2)CC1N=Nc1ccc2ccccc2n1 ZINC000755872711 626655357 /nfs/dbraw/zinc/65/53/57/626655357.db2.gz SDJDMHMJPAKHHH-GFCCVEGCSA-N 1 1 280.375 3.117 20 30 CGEDMO Cc1cc(C)cc(N=NC2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000755886095 626656219 /nfs/dbraw/zinc/65/62/19/626656219.db2.gz KBFVHRLCORVLPF-ZDUSSCGKSA-N 1 1 257.381 3.185 20 30 CGEDMO C[C@H]1C[N@H+](C2CC2)CC1N=Nc1cccc2ncccc12 ZINC000755893531 626656932 /nfs/dbraw/zinc/65/69/32/626656932.db2.gz VPFPSRTVNHZVOU-LBPRGKRZSA-N 1 1 280.375 3.117 20 30 CGEDMO C#CC[N@@H+](Cc1ccn(-c2ccc(F)cc2)n1)C1CCCC1 ZINC000756911779 626741174 /nfs/dbraw/zinc/74/11/74/626741174.db2.gz WLHDGTMVTHQRSI-UHFFFAOYSA-N 1 1 297.377 3.389 20 30 CGEDMO C#CC[N@H+](Cc1ccn(-c2ccc(F)cc2)n1)C1CCCC1 ZINC000756911779 626741178 /nfs/dbraw/zinc/74/11/78/626741178.db2.gz WLHDGTMVTHQRSI-UHFFFAOYSA-N 1 1 297.377 3.389 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 ZINC000757101526 626754856 /nfs/dbraw/zinc/75/48/56/626754856.db2.gz ICWDCSXEKOPOOX-KGLIPLIRSA-N 1 1 282.428 3.188 20 30 CGEDMO C#CC[C@H](NC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000839714560 626780807 /nfs/dbraw/zinc/78/08/07/626780807.db2.gz GBGJBURFQGFJQI-HPFXQQBRSA-N 1 1 298.430 3.129 20 30 CGEDMO Cc1[nH+]c(C=NOCc2ccc(F)cc2)c2ccccn12 ZINC000758144195 626831026 /nfs/dbraw/zinc/83/10/26/626831026.db2.gz YGAJBYUHXRYEPS-UHFFFAOYSA-N 1 1 283.306 3.333 20 30 CGEDMO C#CCCCCNc1nc(NCCCCC#C)c(C)c[nH+]1 ZINC000758473214 626845339 /nfs/dbraw/zinc/84/53/39/626845339.db2.gz BXEUTEHAYQJKGF-UHFFFAOYSA-N 1 1 284.407 3.216 20 30 CGEDMO C#CCC[N@H+](CC)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000760827675 626994643 /nfs/dbraw/zinc/99/46/43/626994643.db2.gz LZZZGYXSJMUQPS-FUHWJXTLSA-N 1 1 270.420 3.167 20 30 CGEDMO C#CCCN(CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000760827675 626994646 /nfs/dbraw/zinc/99/46/46/626994646.db2.gz LZZZGYXSJMUQPS-FUHWJXTLSA-N 1 1 270.420 3.167 20 30 CGEDMO C#CCCN(CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000760827675 626994649 /nfs/dbraw/zinc/99/46/49/626994649.db2.gz LZZZGYXSJMUQPS-FUHWJXTLSA-N 1 1 270.420 3.167 20 30 CGEDMO C=CC[N@@H+](CC1CCCCC1)CN1C[C@@H](C2CC2)CC1=O ZINC000762498588 627113648 /nfs/dbraw/zinc/11/36/48/627113648.db2.gz YGZJLPLHPLSNMM-KRWDZBQOSA-N 1 1 290.451 3.271 20 30 CGEDMO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)Cc2ccccc21 ZINC000763475337 627159691 /nfs/dbraw/zinc/15/96/91/627159691.db2.gz HFIMZYXLGJDNEN-KUHUBIRLSA-N 1 1 292.382 3.211 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1ccc2c(c1)CCO2 ZINC000763624443 627170866 /nfs/dbraw/zinc/17/08/66/627170866.db2.gz WMEHAVLGWDMIFG-UHFFFAOYSA-N 1 1 284.384 3.187 20 30 CGEDMO C#CC[N@@H+](Cc1c2ccccc2oc1C(=O)OCC)C1CC1 ZINC000763958209 627187624 /nfs/dbraw/zinc/18/76/24/627187624.db2.gz SDFFKKBHYBZFKF-UHFFFAOYSA-N 1 1 297.354 3.207 20 30 CGEDMO C#CC[N@H+](Cc1c2ccccc2oc1C(=O)OCC)C1CC1 ZINC000763958209 627187626 /nfs/dbraw/zinc/18/76/26/627187626.db2.gz SDFFKKBHYBZFKF-UHFFFAOYSA-N 1 1 297.354 3.207 20 30 CGEDMO C#CC[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000763960700 627187850 /nfs/dbraw/zinc/18/78/50/627187850.db2.gz UGAKLUBXTCNKHG-UHFFFAOYSA-N 1 1 293.288 3.034 20 30 CGEDMO C#CC[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000763960700 627187854 /nfs/dbraw/zinc/18/78/54/627187854.db2.gz UGAKLUBXTCNKHG-UHFFFAOYSA-N 1 1 293.288 3.034 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OC(C)C)c(OC)c1)C1CC1 ZINC000764676229 627217856 /nfs/dbraw/zinc/21/78/56/627217856.db2.gz GYRKXLNESGQPBO-UHFFFAOYSA-N 1 1 273.376 3.080 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C1CC1 ZINC000764676614 627217917 /nfs/dbraw/zinc/21/79/17/627217917.db2.gz MERJALOEKBFMPY-UHFFFAOYSA-N 1 1 272.348 3.316 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C1CC1 ZINC000764676614 627217919 /nfs/dbraw/zinc/21/79/19/627217919.db2.gz MERJALOEKBFMPY-UHFFFAOYSA-N 1 1 272.348 3.316 20 30 CGEDMO CC#CCC[N@H+](CC)Cc1cc(Br)ccc1O ZINC000764961922 627234399 /nfs/dbraw/zinc/23/43/99/627234399.db2.gz WIJHJAVGGHCFCB-UHFFFAOYSA-N 1 1 296.208 3.390 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@H](C)[C@H]1CNC(=O)OC(C)(C)C ZINC000764974888 627234895 /nfs/dbraw/zinc/23/48/95/627234895.db2.gz ILKXFSHJXUPJMF-LSDHHAIUSA-N 1 1 294.439 3.025 20 30 CGEDMO C#CCCC[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000766905264 627369431 /nfs/dbraw/zinc/36/94/31/627369431.db2.gz FPOUQWBTHAWIFM-UHFFFAOYSA-N 1 1 273.220 3.217 20 30 CGEDMO C#CCCC[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000766914624 627370103 /nfs/dbraw/zinc/37/01/03/627370103.db2.gz CGBFTVZDHSPPIX-UHFFFAOYSA-N 1 1 269.344 3.401 20 30 CGEDMO C#CCCC[N@@H+](CC(=O)OC)[C@@H](CC)c1ccccc1 ZINC000766919661 627370777 /nfs/dbraw/zinc/37/07/77/627370777.db2.gz AXYUNMJMCUUXGH-INIZCTEOSA-N 1 1 273.376 3.026 20 30 CGEDMO CCCCOc1ccccc1C=NNc1cc[nH+]cc1 ZINC000767386455 627404438 /nfs/dbraw/zinc/40/44/38/627404438.db2.gz RNORCDFWETVPCT-UHFFFAOYSA-N 1 1 269.348 3.128 20 30 CGEDMO C#CC[N@@H+](CC)Cc1c(C)nn(Cc2ccccc2)c1C ZINC000769104503 627522549 /nfs/dbraw/zinc/52/25/49/627522549.db2.gz HZKDWMGTZMMENT-UHFFFAOYSA-N 1 1 281.403 3.003 20 30 CGEDMO C#CC[N@H+](CC)Cc1c(C)nn(Cc2ccccc2)c1C ZINC000769104503 627522550 /nfs/dbraw/zinc/52/25/50/627522550.db2.gz HZKDWMGTZMMENT-UHFFFAOYSA-N 1 1 281.403 3.003 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc2c(c1)COC2 ZINC000769146297 627525953 /nfs/dbraw/zinc/52/59/53/627525953.db2.gz SAPSMZBUMAIGPA-UHFFFAOYSA-N 1 1 295.357 3.491 20 30 CGEDMO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccc2c(c1)COC2 ZINC000769146297 627525955 /nfs/dbraw/zinc/52/59/55/627525955.db2.gz SAPSMZBUMAIGPA-UHFFFAOYSA-N 1 1 295.357 3.491 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC[C@@H]2C2CC2)cc1 ZINC000769330936 627542726 /nfs/dbraw/zinc/54/27/26/627542726.db2.gz SBBSCFBWITWUBS-QGZVFWFLSA-N 1 1 255.361 3.073 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CCSC(C)(C)C1 ZINC000769449038 627553853 /nfs/dbraw/zinc/55/38/53/627553853.db2.gz VQXZSVHGKHPBKY-UHFFFAOYSA-N 1 1 275.417 3.026 20 30 CGEDMO C#CCCOc1ccc(C[N@H+](C)CCCOC(C)C)cc1 ZINC000769463245 627555624 /nfs/dbraw/zinc/55/56/24/627555624.db2.gz OVGWGQMSVHGCRK-UHFFFAOYSA-N 1 1 289.419 3.336 20 30 CGEDMO CO[C@H](C)C[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)C(C)C ZINC000769473961 627558136 /nfs/dbraw/zinc/55/81/36/627558136.db2.gz QOTBAARDQBKZHE-HUUCEWRRSA-N 1 1 290.407 3.223 20 30 CGEDMO C#CCCOc1ccc(C[N@H+](C)Cc2cccc(C)n2)cc1 ZINC000769479348 627558562 /nfs/dbraw/zinc/55/85/62/627558562.db2.gz HUASJAWJXIWBPU-UHFFFAOYSA-N 1 1 294.398 3.424 20 30 CGEDMO C[C@@H](C#N)C[N@H+](Cc1cc(Cl)ccc1O)C1CC1 ZINC000769543634 627564256 /nfs/dbraw/zinc/56/42/56/627564256.db2.gz FEBSYMUEIUFKPY-JTQLQIEISA-N 1 1 264.756 3.170 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](Cc1cc(Cl)ccc1O)C1CC1 ZINC000769543634 627564257 /nfs/dbraw/zinc/56/42/57/627564257.db2.gz FEBSYMUEIUFKPY-JTQLQIEISA-N 1 1 264.756 3.170 20 30 CGEDMO C[C@H](C#N)C[N@H+](Cc1ccc(N(C)CCC#N)cc1)C1CC1 ZINC000769546278 627564636 /nfs/dbraw/zinc/56/46/36/627564636.db2.gz VYNLZADNYSZZQT-OAHLLOKOSA-N 1 1 296.418 3.161 20 30 CGEDMO C[C@H](C#N)C[N@@H+](Cc1ccc(N(C)CCC#N)cc1)C1CC1 ZINC000769546278 627564639 /nfs/dbraw/zinc/56/46/39/627564639.db2.gz VYNLZADNYSZZQT-OAHLLOKOSA-N 1 1 296.418 3.161 20 30 CGEDMO C=CC[C@@H]1[N@H+](CC[C@@H]2CCOC2=O)CCCC1(C)C ZINC000769954480 627592323 /nfs/dbraw/zinc/59/23/23/627592323.db2.gz TWNBKBGSPDKRPB-KGLIPLIRSA-N 1 1 265.397 3.006 20 30 CGEDMO C=CC[C@@H]1[N@H+](CCN2CCCC2)CCCC1(C)C ZINC000769952445 627592452 /nfs/dbraw/zinc/59/24/52/627592452.db2.gz BQUBAFFZKSFJML-HNNXBMFYSA-N 1 1 250.430 3.149 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1c2ccccc2oc1C(=O)OCC ZINC000769975918 627593870 /nfs/dbraw/zinc/59/38/70/627593870.db2.gz OMTPTNLBWQYYCY-LBPRGKRZSA-N 1 1 285.343 3.063 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1c2ccccc2oc1C(=O)OCC ZINC000769975918 627593873 /nfs/dbraw/zinc/59/38/73/627593873.db2.gz OMTPTNLBWQYYCY-LBPRGKRZSA-N 1 1 285.343 3.063 20 30 CGEDMO CC(=NNCC(C)C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000771566797 627719771 /nfs/dbraw/zinc/71/97/71/627719771.db2.gz JYVAAXVUTLTPJY-UHFFFAOYSA-N 1 1 270.380 3.150 20 30 CGEDMO CC(=[NH+]N[C@H]1CCCCC1(C)C)c1csc(N)n1 ZINC000773126416 627860033 /nfs/dbraw/zinc/86/00/33/627860033.db2.gz VRIGFIRXQCKYNL-NSHDSACASA-N 1 1 266.414 3.008 20 30 CGEDMO C#CCCCCC(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000773290554 627871312 /nfs/dbraw/zinc/87/13/12/627871312.db2.gz PLJGZCXDJUDEHV-BBWFWOEESA-N 1 1 290.451 3.044 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(OCCCC)c(OC)c1 ZINC000775182612 628069982 /nfs/dbraw/zinc/06/99/82/628069982.db2.gz FBZQNMDJRDLEBC-CQSZACIVSA-N 1 1 275.392 3.328 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1cc(C)ccc1OC(F)F ZINC000775184048 628070616 /nfs/dbraw/zinc/07/06/16/628070616.db2.gz UBGQANOIKJVXKK-NSHDSACASA-N 1 1 253.292 3.050 20 30 CGEDMO C[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1cccc(C#N)c1 ZINC000775335466 628083975 /nfs/dbraw/zinc/08/39/75/628083975.db2.gz KOZKQOSEODDXKN-LLVKDONJSA-N 1 1 299.305 3.456 20 30 CGEDMO C#C[C@H]([NH2+][C@H](C)c1ccccc1Cl)[C@@H]1CCCO1 ZINC000775571842 628108761 /nfs/dbraw/zinc/10/87/61/628108761.db2.gz LQSYSFXWVBHKCN-UGFHNGPFSA-N 1 1 263.768 3.171 20 30 CGEDMO C#C[C@H]([NH2+][C@H](C)c1ccc(F)cc1Cl)[C@H]1CCCO1 ZINC000775574832 628109949 /nfs/dbraw/zinc/10/99/49/628109949.db2.gz SDBDDPKQMYDNBH-WKPIXPDZSA-N 1 1 281.758 3.311 20 30 CGEDMO C=C(C)[C@H]([NH2+]C/C=C(\C)C(=O)OC)c1ccc(F)c(F)c1 ZINC000775725562 628129221 /nfs/dbraw/zinc/12/92/21/628129221.db2.gz UQNRTHFORFWFMJ-USYSOWRXSA-N 1 1 295.329 3.291 20 30 CGEDMO C#CC[N@H+](CCCn1c2ccccc2[nH]c1=O)C1CCCC1 ZINC000777601563 628287792 /nfs/dbraw/zinc/28/77/92/628287792.db2.gz ZRRFLMBYSJQTQC-UHFFFAOYSA-N 1 1 297.402 3.010 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(OC(C)=O)cc1 ZINC000778997000 628382236 /nfs/dbraw/zinc/38/22/36/628382236.db2.gz YTZPYWPYVFUGNX-UHFFFAOYSA-N 1 1 299.370 3.436 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CCCSCC1 ZINC000779166748 628392099 /nfs/dbraw/zinc/39/20/99/628392099.db2.gz VGKKZBQEKMYDIN-UHFFFAOYSA-N 1 1 295.835 3.291 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cccc(Br)n1 ZINC000779436257 628413209 /nfs/dbraw/zinc/41/32/09/628413209.db2.gz GVQVYDCTWYEDHP-UHFFFAOYSA-N 1 1 269.186 3.242 20 30 CGEDMO Fc1cccc(F)c1-c1ccc(C=NNc2cc[nH+]cc2)o1 ZINC000779810860 628433851 /nfs/dbraw/zinc/43/38/51/628433851.db2.gz KFORBPZMCGUDPJ-UHFFFAOYSA-N 1 1 299.280 3.488 20 30 CGEDMO Cc1[nH]c2ccc(Cl)cc2c1C=NNc1cc[nH+]cc1 ZINC000779810505 628433861 /nfs/dbraw/zinc/43/38/61/628433861.db2.gz DWWOQEAGTHOMQM-UHFFFAOYSA-N 1 1 284.750 3.393 20 30 CGEDMO CC(=NNc1cc[nH+]cc1)c1cc(C)c(C)cc1C ZINC000779810642 628434014 /nfs/dbraw/zinc/43/40/14/628434014.db2.gz FXFZJFRYLJKQJU-UHFFFAOYSA-N 1 1 253.349 3.265 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@H]2CCc3c2cc(F)cc3F)nc1 ZINC000780329790 628482623 /nfs/dbraw/zinc/48/26/23/628482623.db2.gz NUTJREHIXNWRSD-INIZCTEOSA-N 1 1 285.297 3.009 20 30 CGEDMO C#CCCCCCC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000780377833 628485602 /nfs/dbraw/zinc/48/56/02/628485602.db2.gz HKFCJGPWDBKLRU-KRWDZBQOSA-N 1 1 292.467 3.198 20 30 CGEDMO C#CCC[NH+]1CCN(C(=O)[C@@](C)(CC)CCCCC)CC1 ZINC000780537442 628496912 /nfs/dbraw/zinc/49/69/12/628496912.db2.gz ZBOGHUBSJIYNLE-SFHVURJKSA-N 1 1 292.467 3.151 20 30 CGEDMO C=C(Br)C[N@@H+]1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000782502035 628650817 /nfs/dbraw/zinc/65/08/17/628650817.db2.gz DPCBZQQGKRIOLJ-WCQGTBRESA-N 1 1 258.203 3.406 20 30 CGEDMO C=CC[N@@H+](C[C@H](O)Cc1cccc(Cl)c1)C(C)C ZINC000805733372 628664294 /nfs/dbraw/zinc/66/42/94/628664294.db2.gz RIUJOIFNUYWFKV-OAHLLOKOSA-N 1 1 267.800 3.140 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(F)cc1N(C)C ZINC000783300814 628701421 /nfs/dbraw/zinc/70/14/21/628701421.db2.gz QSWRKRCTXPKSIO-GFCCVEGCSA-N 1 1 298.365 3.009 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000784016203 628766050 /nfs/dbraw/zinc/76/60/50/628766050.db2.gz SYTWUFZCDXPFIQ-SFHVURJKSA-N 1 1 284.403 3.397 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000784571715 628822667 /nfs/dbraw/zinc/82/26/67/628822667.db2.gz KSEWAMAQAKEKRD-CABCVRRESA-N 1 1 267.413 3.206 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000785693957 628881453 /nfs/dbraw/zinc/88/14/53/628881453.db2.gz MYFQAIPRPDCCAY-MRXNPFEDSA-N 1 1 278.440 3.210 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000786101779 628914492 /nfs/dbraw/zinc/91/44/92/628914492.db2.gz QRKWZFFXOIBWPM-UHFFFAOYSA-N 1 1 263.381 3.403 20 30 CGEDMO C#CC[N@@H+](C[C@@H]1CCSC1)[C@@H]1CCc2ccccc21 ZINC000787042640 628979775 /nfs/dbraw/zinc/97/97/75/628979775.db2.gz RFEORLJBPDLUKZ-WMLDXEAASA-N 1 1 271.429 3.362 20 30 CGEDMO C=C[C@@H]1CCCCN1C(=O)C[N@H+](C)CCCCCC ZINC000787681785 629022178 /nfs/dbraw/zinc/02/21/78/629022178.db2.gz RLTXPAUOADALDX-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO C#CC(C)(C)[N@H+](C)CC(=O)Nc1cccc2ccccc21 ZINC000787996946 629038703 /nfs/dbraw/zinc/03/87/03/629038703.db2.gz CTVFLOUWTPIJRN-UHFFFAOYSA-N 1 1 280.371 3.122 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1cccc2ccccc21 ZINC000787996946 629038707 /nfs/dbraw/zinc/03/87/07/629038707.db2.gz CTVFLOUWTPIJRN-UHFFFAOYSA-N 1 1 280.371 3.122 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)C[C@@H]2CCC[C@H](C)C2)n1 ZINC000789325339 629123968 /nfs/dbraw/zinc/12/39/68/629123968.db2.gz CMRGYESJYMTDPP-JKSUJKDBSA-N 1 1 273.424 3.165 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)C1CCCC1 ZINC000789735900 629164496 /nfs/dbraw/zinc/16/44/96/629164496.db2.gz WPOJPVOQMQNCJX-UHFFFAOYSA-N 1 1 269.348 3.048 20 30 CGEDMO CC[C@@H](C)NN=C(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000790180951 629189022 /nfs/dbraw/zinc/18/90/22/629189022.db2.gz BZLLYCSZCQQGHE-RHSMWYFYSA-N 1 1 273.424 3.273 20 30 CGEDMO C#C[C@@H](CCC)[NH2+][C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000790547814 629216639 /nfs/dbraw/zinc/21/66/39/629216639.db2.gz ZOENPEYYKHVHFV-ROUUACIJSA-N 1 1 298.430 3.132 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@H]1CC2(CC2)C(=O)O1 ZINC000791570150 629289733 /nfs/dbraw/zinc/28/97/33/629289733.db2.gz ZMWZLELIKKYDBM-MRXNPFEDSA-N 1 1 285.387 3.160 20 30 CGEDMO C#CC[N@H+](Cc1ccc(N(C)C(C)C)nc1)C1CCCC1 ZINC000792171153 629343223 /nfs/dbraw/zinc/34/32/23/629343223.db2.gz YQFYBQSXCQHHEA-UHFFFAOYSA-N 1 1 285.435 3.304 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C#N)c(F)c1)C1CCCCC1 ZINC000792210732 629349870 /nfs/dbraw/zinc/34/98/70/629349870.db2.gz OQYBKWVXSZKEHV-UHFFFAOYSA-N 1 1 270.351 3.465 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(OC)ccc2OCOC)C1 ZINC000862440197 629373396 /nfs/dbraw/zinc/37/33/96/629373396.db2.gz FYMKBOWBNFPNHE-CQSZACIVSA-N 1 1 291.391 3.076 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cccc(OCC)c2O)C1 ZINC000862442132 629374125 /nfs/dbraw/zinc/37/41/25/629374125.db2.gz XYHDOZXFUJJPIP-ZDUSSCGKSA-N 1 1 261.365 3.189 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2csc(Br)c2)C1 ZINC000862442282 629374579 /nfs/dbraw/zinc/37/45/79/629374579.db2.gz BFUJPNSBWYOQMP-JTQLQIEISA-N 1 1 284.222 3.356 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(OCCC)c(OC)c2)C1 ZINC000862443715 629376498 /nfs/dbraw/zinc/37/64/98/629376498.db2.gz SKEMJGXWYODEML-HNNXBMFYSA-N 1 1 287.403 3.329 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](CCCCOc2ccccc2)C1 ZINC000862444585 629378399 /nfs/dbraw/zinc/37/83/99/629378399.db2.gz CQTQTQIMZXRUQG-MRXNPFEDSA-N 1 1 257.377 3.191 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000862444730 629378619 /nfs/dbraw/zinc/37/86/19/629378619.db2.gz GEWFCZHEKUQHDG-NSHDSACASA-N 1 1 251.732 3.324 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000862446802 629379066 /nfs/dbraw/zinc/37/90/66/629379066.db2.gz FFFLUINZQGEWLI-LBPRGKRZSA-N 1 1 263.768 3.199 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(Cl)c(OC)c2)C1 ZINC000862446563 629379572 /nfs/dbraw/zinc/37/95/72/629379572.db2.gz ALFGQAFFJUMGKQ-GFCCVEGCSA-N 1 1 263.768 3.194 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cn(C)nc2C2CCCCC2)C1 ZINC000862445395 629379621 /nfs/dbraw/zinc/37/96/21/629379621.db2.gz SEPQWIHPPOKWHL-OAHLLOKOSA-N 1 1 285.435 3.313 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cn(-c3ccccc3F)nc2C)C1 ZINC000862448009 629381434 /nfs/dbraw/zinc/38/14/34/629381434.db2.gz UXBUEYSDFFNZGE-HNNXBMFYSA-N 1 1 297.377 3.165 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cnn(-c3ccccc3C)c2)C1 ZINC000862448459 629381608 /nfs/dbraw/zinc/38/16/08/629381608.db2.gz ZCPYPKSDHQCJMS-INIZCTEOSA-N 1 1 279.387 3.026 20 30 CGEDMO C=CCOc1ccc(C[NH2+]Cc2cccnc2F)cc1 ZINC000793283927 629439108 /nfs/dbraw/zinc/43/91/08/629439108.db2.gz BPXGWEUTTLLXNA-UHFFFAOYSA-N 1 1 272.323 3.075 20 30 CGEDMO COc1ccc(C2CCC(=[NH+]n3cccn3)CC2)cc1 ZINC000863164459 629487914 /nfs/dbraw/zinc/48/79/14/629487914.db2.gz KSCHCGWKXZYDTK-UHFFFAOYSA-N 1 1 269.348 3.454 20 30 CGEDMO Fc1ccc(N=NC2CC[N@H+]3CCC[C@H]23)cc1Cl ZINC000863178876 629489017 /nfs/dbraw/zinc/48/90/17/629489017.db2.gz IXMOUGLVALPORE-CYBMUJFWSA-N 1 1 267.735 3.115 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795098467 629631108 /nfs/dbraw/zinc/63/11/08/629631108.db2.gz JOQBFLHGBHCBDJ-CABCVRRESA-N 1 1 294.439 3.284 20 30 CGEDMO C#CCC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000796355798 629770875 /nfs/dbraw/zinc/77/08/75/629770875.db2.gz GTXFHBKBUHBQHN-IBGZPJMESA-N 1 1 279.383 3.246 20 30 CGEDMO C=C(C)C[N@@H+](CCC(=O)CC)Cc1cnn(C(C)C)c1 ZINC000796453958 629783409 /nfs/dbraw/zinc/78/34/09/629783409.db2.gz PDKLWRGGFYORCH-UHFFFAOYSA-N 1 1 277.412 3.211 20 30 CGEDMO C=C(C)C[N@H+](CCC(=O)CC)Cc1cnn(C(C)C)c1 ZINC000796453958 629783412 /nfs/dbraw/zinc/78/34/12/629783412.db2.gz PDKLWRGGFYORCH-UHFFFAOYSA-N 1 1 277.412 3.211 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000796637491 629808433 /nfs/dbraw/zinc/80/84/33/629808433.db2.gz DDMATSYHUFXTJM-UHFFFAOYSA-N 1 1 274.367 3.388 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)Cc1cccc2c1OCCO2 ZINC000796640327 629809327 /nfs/dbraw/zinc/80/93/27/629809327.db2.gz XSRYQKRTQKGFOM-UHFFFAOYSA-N 1 1 293.366 3.093 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1cccc2c1OCCO2 ZINC000796640327 629809329 /nfs/dbraw/zinc/80/93/29/629809329.db2.gz XSRYQKRTQKGFOM-UHFFFAOYSA-N 1 1 293.366 3.093 20 30 CGEDMO CCO[C@H](C)c1nc(CO[NH+]=C(N)CCC(C)C)cs1 ZINC000120039570 629823052 /nfs/dbraw/zinc/82/30/52/629823052.db2.gz ARFCYOCHVOXDJJ-LLVKDONJSA-N 1 1 299.440 3.466 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@@H](c3ccccn3)C2)ccc1F ZINC000799189852 630156022 /nfs/dbraw/zinc/15/60/22/630156022.db2.gz HSRCCWABWMMAEA-CQSZACIVSA-N 1 1 281.334 3.082 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)C[C@H](O)c1ccc(F)cn1 ZINC000799292668 630161185 /nfs/dbraw/zinc/16/11/85/630161185.db2.gz KIKDRNPVRFHRPP-HNNXBMFYSA-N 1 1 292.379 3.004 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2cn(C3CC3)cn2)cc1Cl ZINC000865557408 630186178 /nfs/dbraw/zinc/18/61/78/630186178.db2.gz IZTDGIJYHXFTRS-UHFFFAOYSA-N 1 1 286.766 3.033 20 30 CGEDMO C[C@@H]1CC(N=Nc2ccc(C#N)cc2C(F)(F)F)C[N@H+]1C ZINC000799491347 630189829 /nfs/dbraw/zinc/18/98/29/630189829.db2.gz BAWTWTDCRAQIHI-SECBINFHSA-N 1 1 296.296 3.069 20 30 CGEDMO CCCCCCCS(=O)(=O)N(C)c1cc[nH+]c(C)c1 ZINC000799798393 630232310 /nfs/dbraw/zinc/23/23/10/630232310.db2.gz IMIQSZRROILLJK-UHFFFAOYSA-N 1 1 284.425 3.126 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000801918026 630365643 /nfs/dbraw/zinc/36/56/43/630365643.db2.gz VWRLEVVMHGQCFB-WBVHZDCISA-N 1 1 272.392 3.012 20 30 CGEDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CCO[C@H](C)C#N ZINC000801924700 630367803 /nfs/dbraw/zinc/36/78/03/630367803.db2.gz YKTCFDIWMMLROS-WBVHZDCISA-N 1 1 274.408 3.177 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000801934383 630370258 /nfs/dbraw/zinc/37/02/58/630370258.db2.gz JZVZPZROATVIEF-AWEZNQCLSA-N 1 1 296.370 3.233 20 30 CGEDMO C#CC[N@H+](Cc1cc(C(=O)OC)c(CC)o1)C1CCCC1 ZINC000802642192 630401344 /nfs/dbraw/zinc/40/13/44/630401344.db2.gz QCSOQFQNMFDBPZ-UHFFFAOYSA-N 1 1 289.375 3.006 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H](CNc2nc(Cl)c(C#N)s2)C1 ZINC000804390239 630525386 /nfs/dbraw/zinc/52/53/86/630525386.db2.gz ATQQBYUZTBUDTP-SNVBAGLBSA-N 1 1 298.843 3.200 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@H+]2CC[C@H](SC)C2)c1O ZINC000840118447 630599922 /nfs/dbraw/zinc/59/99/22/630599922.db2.gz YCRDTNRWLIQTBQ-HNNXBMFYSA-N 1 1 293.432 3.067 20 30 CGEDMO C=CCCCCC[N@H+](C)CN1C(=O)CCC1(C)C ZINC000808161937 630627515 /nfs/dbraw/zinc/62/75/15/630627515.db2.gz CGQUKTLPCBPMRF-UHFFFAOYSA-N 1 1 252.402 3.023 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCc3c(F)cccc3C2)cc1 ZINC000809573794 630752211 /nfs/dbraw/zinc/75/22/11/630752211.db2.gz YJQBWHWUIVZJMB-UHFFFAOYSA-N 1 1 265.331 3.365 20 30 CGEDMO C#Cc1ccc(C[N@H+](CCO)[C@@H]2CCc3ccccc32)cc1 ZINC000809575814 630753177 /nfs/dbraw/zinc/75/31/77/630753177.db2.gz MLISDXRVLBREBM-HXUWFJFHSA-N 1 1 291.394 3.150 20 30 CGEDMO C#Cc1ccc(C[N@H+](CCOC)[C@@H]2CC[C@@H](C)C2)cc1 ZINC000809653302 630775454 /nfs/dbraw/zinc/77/54/54/630775454.db2.gz XRGRBQUCBGAMKK-CRAIPNDOSA-N 1 1 271.404 3.305 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)Cc1ccc(OC)c(O)c1 ZINC000809715782 630790319 /nfs/dbraw/zinc/79/03/19/630790319.db2.gz GJUWXDUHWFVYLT-UHFFFAOYSA-N 1 1 281.355 3.036 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(OC)c(O)c1 ZINC000809715782 630790323 /nfs/dbraw/zinc/79/03/23/630790323.db2.gz GJUWXDUHWFVYLT-UHFFFAOYSA-N 1 1 281.355 3.036 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)C[C@H]1CCO[C@@H](CC)C1 ZINC000809718870 630791758 /nfs/dbraw/zinc/79/17/58/630791758.db2.gz ZUDYEIVWCUFQHC-ROUUACIJSA-N 1 1 271.404 3.327 20 30 CGEDMO CC[N@@H+](Cc1ccncc1)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000809726432 630792716 /nfs/dbraw/zinc/79/27/16/630792716.db2.gz JVQDDFNEXUIOJX-HNNXBMFYSA-N 1 1 295.386 3.395 20 30 CGEDMO C#CCCOc1ccc(C[N@H+](C)C2CC(OCC)C2)cc1 ZINC000809774022 630803956 /nfs/dbraw/zinc/80/39/56/630803956.db2.gz MSDDAWFNZSXIRO-UHFFFAOYSA-N 1 1 287.403 3.088 20 30 CGEDMO C[C@@]12CC[N@@H+](CC3(CC#N)CC3)C[C@@H]1C2(Cl)Cl ZINC000878570825 635559724 /nfs/dbraw/zinc/55/97/24/635559724.db2.gz GVTAGIQSQCWILU-WDEREUQCSA-N 1 1 273.207 3.196 20 30 CGEDMO C#CC[N@@H+](Cc1cscc1C(F)(F)F)C1CC1 ZINC000811489695 631074231 /nfs/dbraw/zinc/07/42/31/631074231.db2.gz GBSKLHWSOQDXOK-UHFFFAOYSA-N 1 1 259.296 3.365 20 30 CGEDMO C#CC[N@H+](Cc1cscc1C(F)(F)F)C1CC1 ZINC000811489695 631074238 /nfs/dbraw/zinc/07/42/38/631074238.db2.gz GBSKLHWSOQDXOK-UHFFFAOYSA-N 1 1 259.296 3.365 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000811494232 631075572 /nfs/dbraw/zinc/07/55/72/631075572.db2.gz PBNOEVDGHBVCDK-AWEZNQCLSA-N 1 1 284.444 3.434 20 30 CGEDMO C=CCCCCCCCNC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000812493910 631268643 /nfs/dbraw/zinc/26/86/43/631268643.db2.gz AGURIFSMAPKWDG-UHFFFAOYSA-N 1 1 293.455 3.074 20 30 CGEDMO C#C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccc(F)cc1 ZINC000812795500 631313248 /nfs/dbraw/zinc/31/32/48/631313248.db2.gz ZPFKSBZLNPDRFL-KRWDZBQOSA-N 1 1 281.330 3.225 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(Cl)nn1)[C@H]1CCc2ccccc21 ZINC000876513194 634849916 /nfs/dbraw/zinc/84/99/16/634849916.db2.gz ILSDBECPCWHUFD-INIZCTEOSA-N 1 1 297.789 3.253 20 30 CGEDMO C#CC[N@H+](Cc1ccc(Cl)nn1)[C@H]1CCc2ccccc21 ZINC000876513194 634849918 /nfs/dbraw/zinc/84/99/18/634849918.db2.gz ILSDBECPCWHUFD-INIZCTEOSA-N 1 1 297.789 3.253 20 30 CGEDMO Cc1cc(=O)[nH]c(C[NH2+][C@@H](CCCC#N)c2ccccc2)n1 ZINC000814659485 631617591 /nfs/dbraw/zinc/61/75/91/631617591.db2.gz OGWOVRIJAQVTJT-HNNXBMFYSA-N 1 1 296.374 3.015 20 30 CGEDMO CC(=[NH+]Nc1ccc(Cl)cc1)c1ccc(N)nc1 ZINC000814683729 631621983 /nfs/dbraw/zinc/62/19/83/631621983.db2.gz NMBKYUJZQWMEDT-UHFFFAOYSA-N 1 1 260.728 3.153 20 30 CGEDMO COc1ccc(N[NH+]=C(C)c2ccc(N)nc2)cc1Cl ZINC000814902399 631672240 /nfs/dbraw/zinc/67/22/40/631672240.db2.gz LTOUZWXUIYLWTP-UHFFFAOYSA-N 1 1 290.754 3.162 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)Cc1ccc(CC)cn1 ZINC000815116939 631720487 /nfs/dbraw/zinc/72/04/87/631720487.db2.gz HIHUUVIAWXJWLN-UHFFFAOYSA-N 1 1 264.372 3.279 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(CC)cn1 ZINC000815116939 631720490 /nfs/dbraw/zinc/72/04/90/631720490.db2.gz HIHUUVIAWXJWLN-UHFFFAOYSA-N 1 1 264.372 3.279 20 30 CGEDMO Cc1ccc2c(c1)C[N@H+](CCO[C@@H](C)C#N)C(C)(C)C2 ZINC000815186867 631737890 /nfs/dbraw/zinc/73/78/90/631737890.db2.gz UUHHHIPJLSGKJN-AWEZNQCLSA-N 1 1 272.392 3.060 20 30 CGEDMO Cc1ccc2c(c1)C[N@H+](CCO[C@H](C)C#N)C(C)(C)C2 ZINC000815186868 631738059 /nfs/dbraw/zinc/73/80/59/631738059.db2.gz UUHHHIPJLSGKJN-CQSZACIVSA-N 1 1 272.392 3.060 20 30 CGEDMO C#CC[N@@H+](C)CCCN[C@@H](CC)c1cccc(Cl)c1F ZINC000815652749 631814300 /nfs/dbraw/zinc/81/43/00/631814300.db2.gz QJTGBFWZONORGQ-HNNXBMFYSA-N 1 1 296.817 3.475 20 30 CGEDMO C#CC[N@H+](C)CCCN[C@@H](CC)c1cccc(Cl)c1F ZINC000815652749 631814302 /nfs/dbraw/zinc/81/43/02/631814302.db2.gz QJTGBFWZONORGQ-HNNXBMFYSA-N 1 1 296.817 3.475 20 30 CGEDMO C#CCCCC(=O)O[C@H]1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000816471860 631988154 /nfs/dbraw/zinc/98/81/54/631988154.db2.gz OPJJPLYMVWLUQY-WMZOPIPTSA-N 1 1 299.414 3.386 20 30 CGEDMO C#CC[N@H+](Cc1ccc(Sc2ccccn2)o1)C1CC1 ZINC000816570228 632015954 /nfs/dbraw/zinc/01/59/54/632015954.db2.gz NCCOQDIFZOMULS-UHFFFAOYSA-N 1 1 284.384 3.423 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(Sc2ccccn2)o1)C1CC1 ZINC000816570228 632015962 /nfs/dbraw/zinc/01/59/62/632015962.db2.gz NCCOQDIFZOMULS-UHFFFAOYSA-N 1 1 284.384 3.423 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)[C@H]1C ZINC000816648199 632035771 /nfs/dbraw/zinc/03/57/71/632035771.db2.gz GLKKQXIJAZFNDB-KGLIPLIRSA-N 1 1 258.365 3.209 20 30 CGEDMO CC(C)(C)OC(=O)N[C@@H]1CCCCC[N@@H+](CCCC#N)C1 ZINC000879103618 635702469 /nfs/dbraw/zinc/70/24/69/635702469.db2.gz TXBKPKQPLUYJSX-CQSZACIVSA-N 1 1 295.427 3.059 20 30 CGEDMO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000818346400 632311766 /nfs/dbraw/zinc/31/17/66/632311766.db2.gz DTKMSSTYEIIJJT-PJODQICGSA-N 1 1 279.355 3.163 20 30 CGEDMO C#CC[N@@H+](C)CCCNCc1ccc(Oc2ccccc2)o1 ZINC000820846081 632687090 /nfs/dbraw/zinc/68/70/90/632687090.db2.gz CGKRBXQOCWXLMP-UHFFFAOYSA-N 1 1 298.386 3.117 20 30 CGEDMO C#CCN(C)CCC[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC000820846081 632687092 /nfs/dbraw/zinc/68/70/92/632687092.db2.gz CGKRBXQOCWXLMP-UHFFFAOYSA-N 1 1 298.386 3.117 20 30 CGEDMO CN(C)c1[nH+]cc(/C=C/C(=O)c2ccc(Cl)s2)n1C ZINC000821028812 632714207 /nfs/dbraw/zinc/71/42/07/632714207.db2.gz WUBDUGUBUBFIHA-SNAWJCMRSA-N 1 1 295.795 3.097 20 30 CGEDMO Cc1ccc(Cl)cc1-c1noc([C@@H]([NH3+])CCCC#N)n1 ZINC000822803465 633022973 /nfs/dbraw/zinc/02/29/73/633022973.db2.gz LUDOFEROSXUYTJ-LBPRGKRZSA-N 1 1 290.754 3.392 20 30 CGEDMO N#CCCC[C@H]([NH3+])c1nc(-c2cnc3ccsc3c2)no1 ZINC000822823005 633025743 /nfs/dbraw/zinc/02/57/43/633025743.db2.gz YOTCOOTWWLNSCB-JTQLQIEISA-N 1 1 299.359 3.040 20 30 CGEDMO C[N@H+]1CC[C@H]2CN(c3cccc(C(F)F)c3C#N)CC[C@H]21 ZINC000866206797 633029534 /nfs/dbraw/zinc/02/95/34/633029534.db2.gz FXIXLNFKNRYBGQ-SMDDNHRTSA-N 1 1 291.345 3.026 20 30 CGEDMO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1cccnc1 ZINC000866214374 633031362 /nfs/dbraw/zinc/03/13/62/633031362.db2.gz CACSLYOSNHORDB-VXGBXAGGSA-N 1 1 267.332 3.071 20 30 CGEDMO CC(C)n1cc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2O)cn1 ZINC000866265502 633052006 /nfs/dbraw/zinc/05/20/06/633052006.db2.gz MKCJQKSZXXZSOO-STQMWFEESA-N 1 1 298.390 3.453 20 30 CGEDMO CC(C)n1cc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2O)cn1 ZINC000866265499 633052263 /nfs/dbraw/zinc/05/22/63/633052263.db2.gz MKCJQKSZXXZSOO-CHWSQXEVSA-N 1 1 298.390 3.453 20 30 CGEDMO C=C(Br)C[N@@H+](C)[C@H]1C[C@H](OCC)C12CCC2 ZINC000121028638 633093490 /nfs/dbraw/zinc/09/34/90/633093490.db2.gz NAAUTZHJTPVTAL-RYUDHWBXSA-N 1 1 288.229 3.175 20 30 CGEDMO C=C(Br)C[N@H+](C)[C@H]1C[C@H](OCC)C12CCC2 ZINC000121028638 633093495 /nfs/dbraw/zinc/09/34/95/633093495.db2.gz NAAUTZHJTPVTAL-RYUDHWBXSA-N 1 1 288.229 3.175 20 30 CGEDMO Cc1ccoc1C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866362492 633101610 /nfs/dbraw/zinc/10/16/10/633101610.db2.gz BPPMCMFFZGAPEI-LLVKDONJSA-N 1 1 256.305 3.016 20 30 CGEDMO C#CC[N@@H+](Cc1cc(F)ncc1F)C1CCCCC1 ZINC000823423610 633101957 /nfs/dbraw/zinc/10/19/57/633101957.db2.gz LFHYEPLCZLHUSD-UHFFFAOYSA-N 1 1 264.319 3.128 20 30 CGEDMO C#CC[N@H+](Cc1cc(F)ncc1F)C1CCCCC1 ZINC000823423610 633101958 /nfs/dbraw/zinc/10/19/58/633101958.db2.gz LFHYEPLCZLHUSD-UHFFFAOYSA-N 1 1 264.319 3.128 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)c1ccccc1 ZINC000823619138 633128318 /nfs/dbraw/zinc/12/83/18/633128318.db2.gz YBPBPSYSJGXNTI-RDTXWAMCSA-N 1 1 280.371 3.285 20 30 CGEDMO C#C[C@H]([NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1)C(C)C ZINC000824364194 633235822 /nfs/dbraw/zinc/23/58/22/633235822.db2.gz WAJPAJNLAWEADZ-PXNSSMCTSA-N 1 1 298.474 3.329 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@](C)(F)C2)cc1 ZINC000824471728 633248909 /nfs/dbraw/zinc/24/89/09/633248909.db2.gz GSUZVMRUHLFNIR-XJKSGUPXSA-N 1 1 276.355 3.301 20 30 CGEDMO C#CC[N@H+](Cc1ccnn1CCC)C1CCCCC1 ZINC000824633123 633266477 /nfs/dbraw/zinc/26/64/77/633266477.db2.gz XUTGQASBJPVVDX-UHFFFAOYSA-N 1 1 259.397 3.061 20 30 CGEDMO Cc1cc(O)c(C[N@@H+](C[C@H](C)C#N)C2CC2)cc1Cl ZINC000824912884 633304978 /nfs/dbraw/zinc/30/49/78/633304978.db2.gz CMVUTBAIEVPBGD-SNVBAGLBSA-N 1 1 278.783 3.478 20 30 CGEDMO Cc1cc(O)c(C[N@H+](C[C@H](C)C#N)C2CC2)cc1Cl ZINC000824912884 633304986 /nfs/dbraw/zinc/30/49/86/633304986.db2.gz CMVUTBAIEVPBGD-SNVBAGLBSA-N 1 1 278.783 3.478 20 30 CGEDMO C#CCCOc1ccc(C[NH2+][C@H](C)c2nccn2CC)cc1 ZINC000825005715 633316375 /nfs/dbraw/zinc/31/63/75/633316375.db2.gz QJFURMKYBKMCFB-OAHLLOKOSA-N 1 1 297.402 3.156 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000826653377 633423694 /nfs/dbraw/zinc/42/36/94/633423694.db2.gz COJGOXBEVBMDKQ-OAHLLOKOSA-N 1 1 278.440 3.112 20 30 CGEDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000826862023 633437905 /nfs/dbraw/zinc/43/79/05/633437905.db2.gz RFOORMVSZXOIHF-OAHLLOKOSA-N 1 1 271.408 3.187 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1cccn1CCC(C)C ZINC000827822927 633522708 /nfs/dbraw/zinc/52/27/08/633522708.db2.gz HMHPEJLXTBWEPB-UHFFFAOYSA-N 1 1 276.424 3.006 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cc1 ZINC000827849400 633525019 /nfs/dbraw/zinc/52/50/19/633525019.db2.gz FXKMJFOEYLGOIX-KDURUIRLSA-N 1 1 281.399 3.061 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000870121407 633533061 /nfs/dbraw/zinc/53/30/61/633533061.db2.gz PWEUJEKKQOYGOH-OAHLLOKOSA-N 1 1 286.419 3.104 20 30 CGEDMO C[C@]1(C[N@H+](CCC#N)CC2CC2)CC1(Cl)Cl ZINC000827968958 633542086 /nfs/dbraw/zinc/54/20/86/633542086.db2.gz NINWGMAKYBFERR-LLVKDONJSA-N 1 1 261.196 3.196 20 30 CGEDMO C[C@]1(C[N@@H+](CCC#N)CC2CC2)CC1(Cl)Cl ZINC000827968958 633542087 /nfs/dbraw/zinc/54/20/87/633542087.db2.gz NINWGMAKYBFERR-LLVKDONJSA-N 1 1 261.196 3.196 20 30 CGEDMO C=C[C@](C)(CCOC)C(=O)O[C@@H](C)C[C@H]1CCCC[N@H+]1C ZINC000870786408 633645985 /nfs/dbraw/zinc/64/59/85/633645985.db2.gz WHVXNDBMSDMYSN-ZMSDIMECSA-N 1 1 297.439 3.021 20 30 CGEDMO C#Cc1cccc(CNc2cc[nH+]c(N3CCCCC3)n2)c1 ZINC000829463957 633737530 /nfs/dbraw/zinc/73/75/30/633737530.db2.gz SRUCMBLAQJXSQZ-UHFFFAOYSA-N 1 1 292.386 3.060 20 30 CGEDMO C#CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000829774382 633781424 /nfs/dbraw/zinc/78/14/24/633781424.db2.gz POYKZRHRYZHDPH-IRXDYDNUSA-N 1 1 298.430 3.366 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000829778449 633782813 /nfs/dbraw/zinc/78/28/13/633782813.db2.gz CFTFWALUWXAOKE-IAGOWNOFSA-N 1 1 298.430 3.366 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ncccc2C(F)(F)F)C1 ZINC000829809691 633793002 /nfs/dbraw/zinc/79/30/02/633793002.db2.gz DWBMTOZSFZEVTQ-GFCCVEGCSA-N 1 1 282.309 3.336 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1[C@H](C)C[C@H](c2ccccc2)[C@@H]1C ZINC000830440650 633862612 /nfs/dbraw/zinc/86/26/12/633862612.db2.gz RWOUORYQAGUAON-AIANPOQGSA-N 1 1 272.392 3.182 20 30 CGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCCC[C@H]2C2CCC2)cc1 ZINC000830989226 633905632 /nfs/dbraw/zinc/90/56/32/633905632.db2.gz USOJIOCUNQQJHR-ROUUACIJSA-N 1 1 284.403 3.246 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](O)c1ccccc1Br ZINC000832679800 634080843 /nfs/dbraw/zinc/08/08/43/634080843.db2.gz KMDILAPMOKEYIQ-AWEZNQCLSA-N 1 1 298.224 3.381 20 30 CGEDMO CCCCCCCCCC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000834314777 634139948 /nfs/dbraw/zinc/13/99/48/634139948.db2.gz OPAZZYPRMNZHLA-JKSUJKDBSA-N 1 1 280.456 3.290 20 30 CGEDMO C=C[C@@H](C)[NH2+][C@@H](C)c1nc(Br)cs1 ZINC000834619541 634199203 /nfs/dbraw/zinc/19/92/03/634199203.db2.gz IKGQPDDKDQTGQR-RQJHMYQMSA-N 1 1 261.188 3.131 20 30 CGEDMO CN(C)c1ccc(/C=C/C[N@H+](CCC#N)CC2CC2)cc1 ZINC000835028750 634326501 /nfs/dbraw/zinc/32/65/01/634326501.db2.gz RYFNKAUWMCCLJL-HWKANZROSA-N 1 1 283.419 3.391 20 30 CGEDMO CN(C)c1ccc(/C=C/C[N@@H+](CCC#N)CC2CC2)cc1 ZINC000835028750 634326505 /nfs/dbraw/zinc/32/65/05/634326505.db2.gz RYFNKAUWMCCLJL-HWKANZROSA-N 1 1 283.419 3.391 20 30 CGEDMO CCCCCCCNC(=O)[C@@H]([NH3+])c1ccc(F)cc1F ZINC000876989304 634945743 /nfs/dbraw/zinc/94/57/43/634945743.db2.gz XVPDAFDUAYNQNU-AWEZNQCLSA-N 1 1 284.350 3.051 20 30 CGEDMO COc1ccc(C[NH2+]C[C@@H](C)C#N)cc1C(C)(C)C ZINC000877321093 635025888 /nfs/dbraw/zinc/02/58/88/635025888.db2.gz DJQQEBBYKOEESY-LBPRGKRZSA-N 1 1 260.381 3.242 20 30 CGEDMO CCOc1cccc(/C=N/CCCC[N@@H+](C)C2CC2)c1O ZINC000840708390 635038165 /nfs/dbraw/zinc/03/81/65/635038165.db2.gz ANHBLNVYVKXYMY-QGOAFFKASA-N 1 1 290.407 3.084 20 30 CGEDMO C[N@@H+](CCCC/N=C/c1cc(Cl)ccc1O)C1CC1 ZINC000840709798 635038989 /nfs/dbraw/zinc/03/89/89/635038989.db2.gz MNYSCSILIHEUAI-GZTJUZNOSA-N 1 1 280.799 3.339 20 30 CGEDMO N#CC1(C[NH2+]Cc2cccc(Cl)c2N)CCCCC1 ZINC000877633339 635124504 /nfs/dbraw/zinc/12/45/04/635124504.db2.gz HULXZEWYNMLSHB-UHFFFAOYSA-N 1 1 277.799 3.486 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)c(F)c1 ZINC000877719077 635164207 /nfs/dbraw/zinc/16/42/07/635164207.db2.gz GLCJJEIIROEEMS-OKILXGFUSA-N 1 1 256.324 3.095 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](C(C)(C)O)C2)cc1 ZINC000877796353 635206618 /nfs/dbraw/zinc/20/66/18/635206618.db2.gz LYFPOUNROHBCNX-MRXNPFEDSA-N 1 1 289.419 3.234 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CC[C@]3(CCc4ccccc43)C2)n1 ZINC000877810515 635214028 /nfs/dbraw/zinc/21/40/28/635214028.db2.gz IJLHLBDSSDNVQS-QGZVFWFLSA-N 1 1 295.411 3.105 20 30 CGEDMO N#Cc1csc(C[N@H+]2CC[C@]3(CCc4ccccc43)C2)n1 ZINC000877810515 635214033 /nfs/dbraw/zinc/21/40/33/635214033.db2.gz IJLHLBDSSDNVQS-QGZVFWFLSA-N 1 1 295.411 3.105 20 30 CGEDMO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CC[C@H](C(F)(F)F)O1 ZINC000877823777 635228073 /nfs/dbraw/zinc/22/80/73/635228073.db2.gz NCJAVZOHVIRNLZ-SMDDNHRTSA-N 1 1 298.308 3.100 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@H](C(F)(F)F)O1 ZINC000877823777 635228075 /nfs/dbraw/zinc/22/80/75/635228075.db2.gz NCJAVZOHVIRNLZ-SMDDNHRTSA-N 1 1 298.308 3.100 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@H+](C)C1CCCC1)c1ccccc1 ZINC000877925104 635272034 /nfs/dbraw/zinc/27/20/34/635272034.db2.gz QPAFDVDOMCGMOZ-GOSISDBHSA-N 1 1 284.403 3.301 20 30 CGEDMO Cc1cc(F)ccc1C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000842157236 635299302 /nfs/dbraw/zinc/29/93/02/635299302.db2.gz PWXCDQQRRYCLTI-SFHVURJKSA-N 1 1 298.361 3.171 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000877984753 635305501 /nfs/dbraw/zinc/30/55/01/635305501.db2.gz NKEXXWHJKINWKR-HNNXBMFYSA-N 1 1 274.408 3.172 20 30 CGEDMO Cc1ccc(N2CCC[N@@H+](CC3(CC#N)CC3)CC2)cc1 ZINC000877983613 635306237 /nfs/dbraw/zinc/30/62/37/635306237.db2.gz ONQONFQBBFXKIG-UHFFFAOYSA-N 1 1 283.419 3.201 20 30 CGEDMO C#CC[N@H+](Cc1nc2c(o1)CCCC2)C1CCCCC1 ZINC000878001324 635313994 /nfs/dbraw/zinc/31/39/94/635313994.db2.gz PWRZJHBGRLFFNU-UHFFFAOYSA-N 1 1 272.392 3.321 20 30 CGEDMO C#CC[N@@H+](Cc1nc2c(o1)CCCC2)C1CCCCC1 ZINC000878001324 635313996 /nfs/dbraw/zinc/31/39/96/635313996.db2.gz PWRZJHBGRLFFNU-UHFFFAOYSA-N 1 1 272.392 3.321 20 30 CGEDMO C=CC[C@H](C)[N@@H+](C)Cc1nccn1Cc1ccccc1 ZINC000878138312 635374792 /nfs/dbraw/zinc/37/47/92/635374792.db2.gz DYABQMBSFVRIFW-HNNXBMFYSA-N 1 1 269.392 3.328 20 30 CGEDMO CO[C@H]1C[C@@H](C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)C1 ZINC000878153222 635381259 /nfs/dbraw/zinc/38/12/59/635381259.db2.gz MILKJHWZILQMEG-SPUZQDLCSA-N 1 1 284.403 3.183 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878159910 635385238 /nfs/dbraw/zinc/38/52/38/635385238.db2.gz ZTPOKZCEFOCWGQ-PMPSAXMXSA-N 1 1 264.413 3.206 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878159910 635385241 /nfs/dbraw/zinc/38/52/41/635385241.db2.gz ZTPOKZCEFOCWGQ-PMPSAXMXSA-N 1 1 264.413 3.206 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@H](CN(CC)CC(F)(F)F)C1 ZINC000878162540 635387138 /nfs/dbraw/zinc/38/71/38/635387138.db2.gz NSBPJVFACCRBNR-QWHCGFSZSA-N 1 1 278.362 3.157 20 30 CGEDMO C[C@H]1CC(N=NC23CC(C2)C3)C[N@@H+](Cc2ccccc2)C1 ZINC000842547915 635400048 /nfs/dbraw/zinc/40/00/48/635400048.db2.gz ZJDQHXPZAOBGPK-NXVRBGIVSA-N 1 1 283.419 3.027 20 30 CGEDMO C#CCCCCC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000878188918 635403182 /nfs/dbraw/zinc/40/31/82/635403182.db2.gz PWFKAHQKNCSRJW-HOTGVXAUSA-N 1 1 275.392 3.361 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000878404998 635492026 /nfs/dbraw/zinc/49/20/26/635492026.db2.gz BDMYBBKHZRKIRR-CHWSQXEVSA-N 1 1 256.340 3.438 20 30 CGEDMO C#CCCCCC[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000878647861 635588838 /nfs/dbraw/zinc/58/88/38/635588838.db2.gz JLFYAUCTZCFOQG-INIZCTEOSA-N 1 1 256.393 3.455 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2c(C)cc(C)nc2C)C1 ZINC000878760021 635625154 /nfs/dbraw/zinc/62/51/54/635625154.db2.gz DVKSBEZVBDEQJL-MRXNPFEDSA-N 1 1 256.393 3.242 20 30 CGEDMO C[N@@H+](C[C@@H](O)c1cccc(C#N)c1)CC1CC2(CCC2)C1 ZINC000878802688 635632272 /nfs/dbraw/zinc/63/22/72/635632272.db2.gz NLSJWPPOHZGJEV-QGZVFWFLSA-N 1 1 284.403 3.104 20 30 CGEDMO C=C/C=C/CC[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000878888236 635650445 /nfs/dbraw/zinc/65/04/45/635650445.db2.gz LOAMFJFLQUTJES-REMYHPOOSA-N 1 1 267.376 3.071 20 30 CGEDMO C=C/C=C/CC[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000878888236 635650448 /nfs/dbraw/zinc/65/04/48/635650448.db2.gz LOAMFJFLQUTJES-REMYHPOOSA-N 1 1 267.376 3.071 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2nnc(-c3cccc(O)c3)o2)C1 ZINC000878915365 635656984 /nfs/dbraw/zinc/65/69/84/635656984.db2.gz RXZYBHGRIZIIBL-CYBMUJFWSA-N 1 1 299.374 3.230 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2scnc2C2CC2)C1 ZINC000843423375 635666192 /nfs/dbraw/zinc/66/61/92/635666192.db2.gz MUJOHIPXGVXMOE-LBPRGKRZSA-N 1 1 260.406 3.256 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000843423211 635666366 /nfs/dbraw/zinc/66/63/66/635666366.db2.gz AGISWNSWXVLJPY-IZIDJEDMSA-N 1 1 284.359 3.343 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2ccc(Br)o2)C1 ZINC000843423348 635667089 /nfs/dbraw/zinc/66/70/89/635667089.db2.gz MLZSEGFBYJZEIW-NSHDSACASA-N 1 1 282.181 3.277 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(Br)o2)C1 ZINC000843423348 635667093 /nfs/dbraw/zinc/66/70/93/635667093.db2.gz MLZSEGFBYJZEIW-NSHDSACASA-N 1 1 282.181 3.277 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000843424230 635668441 /nfs/dbraw/zinc/66/84/41/635668441.db2.gz WKDWEMMZYRJWRP-HNNXBMFYSA-N 1 1 264.372 3.470 20 30 CGEDMO CC1(C)CC[C@@H](C[N@H+]2CCc3c(CC#N)cccc3C2)OC1 ZINC000879064259 635693693 /nfs/dbraw/zinc/69/36/93/635693693.db2.gz AHWNHGSVQQVEMG-KRWDZBQOSA-N 1 1 298.430 3.316 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3CSC[C@H]3C2)c(Cl)c1 ZINC000879564076 635811059 /nfs/dbraw/zinc/81/10/59/635811059.db2.gz GMYDVORPAWBSRY-UONOGXRCSA-N 1 1 292.835 3.397 20 30 CGEDMO Cc1cncc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)o2)c1 ZINC000879752390 635855866 /nfs/dbraw/zinc/85/58/66/635855866.db2.gz PKMLQRLYHJFNLN-MRXNPFEDSA-N 1 1 267.332 3.192 20 30 CGEDMO Cc1cncc([C@H]2CCC[N@H+]2Cc2ccc(C#N)o2)c1 ZINC000879752390 635855870 /nfs/dbraw/zinc/85/58/70/635855870.db2.gz PKMLQRLYHJFNLN-MRXNPFEDSA-N 1 1 267.332 3.192 20 30 CGEDMO Cc1ccc(CC[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)cc1 ZINC000844367609 635882360 /nfs/dbraw/zinc/88/23/60/635882360.db2.gz TYSGTUYDBWRRPN-LJQANCHMSA-N 1 1 294.398 3.075 20 30 CGEDMO CN1CCC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccccc1C(C)(C)C#N ZINC000880135073 635920507 /nfs/dbraw/zinc/92/05/07/635920507.db2.gz QJKAGTBUZYFUTL-ZWKOTPCHSA-N 1 1 297.446 3.156 20 30 CGEDMO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2Cc1ccccc1C(C)(C)C#N ZINC000880135073 635920512 /nfs/dbraw/zinc/92/05/12/635920512.db2.gz QJKAGTBUZYFUTL-ZWKOTPCHSA-N 1 1 297.446 3.156 20 30 CGEDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2Cc1ccccc1C(C)(C)C#N ZINC000880135073 635920516 /nfs/dbraw/zinc/92/05/16/635920516.db2.gz QJKAGTBUZYFUTL-ZWKOTPCHSA-N 1 1 297.446 3.156 20 30 CGEDMO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](CF)C1 ZINC000880232950 635944252 /nfs/dbraw/zinc/94/42/52/635944252.db2.gz RYZQPVDZTDDFPR-LBPRGKRZSA-N 1 1 296.773 3.424 20 30 CGEDMO CCCC(N)=[NH+]OCc1cc(-c2ccc(C)cc2)no1 ZINC000105606106 635959310 /nfs/dbraw/zinc/95/93/10/635959310.db2.gz JCXZTAZFANUART-UHFFFAOYSA-N 1 1 273.336 3.239 20 30 CGEDMO CO[C@@]1(C(F)(F)F)CC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000880306849 635971016 /nfs/dbraw/zinc/97/10/16/635971016.db2.gz ZLFFXWARHZKHDQ-RISCZKNCSA-N 1 1 298.308 3.272 20 30 CGEDMO C=CCCC[C@@H]([NH2+]Cc1nnc2n1CCC2)c1ccccc1 ZINC000880387940 635991174 /nfs/dbraw/zinc/99/11/74/635991174.db2.gz HCGCHPZSLJLAIV-MRXNPFEDSA-N 1 1 296.418 3.412 20 30 CGEDMO C=CC[C@@H](C(=O)OC[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1 ZINC000845819760 636103783 /nfs/dbraw/zinc/10/37/83/636103783.db2.gz RMIDIBPKEBVVKH-HYVNUMGLSA-N 1 1 287.403 3.230 20 30 CGEDMO Cc1cccc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)c1F ZINC000846007007 636128424 /nfs/dbraw/zinc/12/84/24/636128424.db2.gz MHMILWMKWTVEEX-KRWDZBQOSA-N 1 1 298.361 3.171 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2C[C@H](C)OCC23CCC3)cc1 ZINC000846067400 636140614 /nfs/dbraw/zinc/14/06/14/636140614.db2.gz RMEAURQRIBVWKF-INIZCTEOSA-N 1 1 299.414 3.232 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000846104683 636143762 /nfs/dbraw/zinc/14/37/62/636143762.db2.gz KFTIBAVGSSRIJS-OAHLLOKOSA-N 1 1 261.315 3.289 20 30 CGEDMO C=C[C@H](C)ONC(=O)c1ccc(C[N@H+](CC)CCC)cc1 ZINC000846548184 636199096 /nfs/dbraw/zinc/19/90/96/636199096.db2.gz DJJMKVLEPDCGDI-AWEZNQCLSA-N 1 1 290.407 3.154 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cccc(C(=O)C(F)(F)F)c2)C1 ZINC000847019382 636312508 /nfs/dbraw/zinc/31/25/08/636312508.db2.gz PMPIHUAJARIMPL-LBPRGKRZSA-N 1 1 295.304 3.277 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000847023793 636314881 /nfs/dbraw/zinc/31/48/81/636314881.db2.gz OOKNYUUVKMJWHM-GFCCVEGCSA-N 1 1 265.303 3.133 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000847026488 636317032 /nfs/dbraw/zinc/31/70/32/636317032.db2.gz PPGLUJHXRJJRFU-LBPRGKRZSA-N 1 1 265.303 3.133 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000847026516 636317051 /nfs/dbraw/zinc/31/70/51/636317051.db2.gz PTMGATMERHCRTQ-ZDUSSCGKSA-N 1 1 297.320 3.473 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc(OC)cc3)n2)C1 ZINC000847026934 636317284 /nfs/dbraw/zinc/31/72/84/636317284.db2.gz IKNZQMAATHOJKR-CQSZACIVSA-N 1 1 296.370 3.195 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2coc(-c3ccc(OC)cc3)n2)C1 ZINC000847026934 636317288 /nfs/dbraw/zinc/31/72/88/636317288.db2.gz IKNZQMAATHOJKR-CQSZACIVSA-N 1 1 296.370 3.195 20 30 CGEDMO Fc1ccccc1N=NC1CCC[N@H+]2CCCC[C@@H]12 ZINC000848404236 636567350 /nfs/dbraw/zinc/56/73/50/636567350.db2.gz IANWTFSTLOCLDQ-HNNXBMFYSA-N 1 1 261.344 3.242 20 30 CGEDMO c1ccc(CCCNN=C2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000848405608 636568905 /nfs/dbraw/zinc/56/89/05/636568905.db2.gz QULMPZQPCDTOLP-GOSISDBHSA-N 1 1 285.435 3.213 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000848494542 636580659 /nfs/dbraw/zinc/58/06/59/636580659.db2.gz WHKHZGXYPNSDMX-CYBMUJFWSA-N 1 1 287.403 3.241 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000848493389 636581212 /nfs/dbraw/zinc/58/12/12/636581212.db2.gz NJXWGLMYEALJAI-CQSZACIVSA-N 1 1 265.356 3.391 20 30 CGEDMO Cc1cc(C)cc(-c2noc([C@H]([NH3+])CCCCC#N)n2)c1 ZINC000848621884 636621425 /nfs/dbraw/zinc/62/14/25/636621425.db2.gz PKESAWWHAXKOTK-CQSZACIVSA-N 1 1 284.363 3.437 20 30 CGEDMO CCc1cccc(C[N@H+]2CCC[C@](C)(C#N)C2)c1O ZINC000848902521 636683178 /nfs/dbraw/zinc/68/31/78/636683178.db2.gz PBZZIXFCXNBPOT-MRXNPFEDSA-N 1 1 258.365 3.080 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cn(-c3cccc(C)c3)nc2C)C1 ZINC000848924260 636695392 /nfs/dbraw/zinc/69/53/92/636695392.db2.gz OWWUCQNPDMDATG-KRWDZBQOSA-N 1 1 293.414 3.334 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(OCC=C)cc2)C1 ZINC000848923806 636695731 /nfs/dbraw/zinc/69/57/31/636695731.db2.gz QFMPVFOKNUVRHP-OAHLLOKOSA-N 1 1 255.361 3.097 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ncc(C(C)(C)C)s2)C1 ZINC000848924473 636697078 /nfs/dbraw/zinc/69/70/78/636697078.db2.gz SZMRUSCFQILXIE-LBPRGKRZSA-N 1 1 262.422 3.286 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ncc(C(C)(C)C)s2)C1 ZINC000848924473 636697085 /nfs/dbraw/zinc/69/70/85/636697085.db2.gz SZMRUSCFQILXIE-LBPRGKRZSA-N 1 1 262.422 3.286 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cnc(C(C)(C)C)s2)C1 ZINC000848924512 636697710 /nfs/dbraw/zinc/69/77/10/636697710.db2.gz UJXIAPHHEUTRSL-GFCCVEGCSA-N 1 1 262.422 3.286 20 30 CGEDMO CCCCC(N)=[NH+]OCc1ccccc1C(C)(C)C#N ZINC000134092484 636997746 /nfs/dbraw/zinc/99/77/46/636997746.db2.gz WECZAYLYSUYQDE-UHFFFAOYSA-N 1 1 273.380 3.467 20 30 CGEDMO CC(=[NH+]NCCC(F)(F)F)c1c(C)cc(N)cc1C ZINC000884458938 637030631 /nfs/dbraw/zinc/03/06/31/637030631.db2.gz QXKNQRXDEZCICK-UHFFFAOYSA-N 1 1 273.302 3.152 20 30 CGEDMO C[N@@H+](C[C@@H](O)CC1(C#N)CCC1)[C@@H]1CCCc2ccccc21 ZINC000885930693 637316965 /nfs/dbraw/zinc/31/69/65/637316965.db2.gz DVMRLCKRUDJDRS-FUHWJXTLSA-N 1 1 298.430 3.441 20 30 CGEDMO C[C@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCC2)Cc2ccccc21 ZINC000885943692 637324039 /nfs/dbraw/zinc/32/40/39/637324039.db2.gz AFXMPGKLPSPOCQ-GOEBONIOSA-N 1 1 284.403 3.051 20 30 CGEDMO C[N@@H+](C[C@H](O)CC1(C#N)CCC1)[C@@H]1CCc2ccccc21 ZINC000885949113 637326775 /nfs/dbraw/zinc/32/67/75/637326775.db2.gz OLPKVEKNTRTILX-NVXWUHKLSA-N 1 1 284.403 3.051 20 30 CGEDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886017014 637366478 /nfs/dbraw/zinc/36/64/78/637366478.db2.gz QGPKLHSTBRYZOB-JYJNAYRXSA-N 1 1 278.440 3.332 20 30 CGEDMO CC(C)CC[C@@H]1CCC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886044064 637384199 /nfs/dbraw/zinc/38/41/99/637384199.db2.gz PPLCKBLESYNZAM-HOTGVXAUSA-N 1 1 278.440 3.332 20 30 CGEDMO C=CCC(F)(F)C(=O)OC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000851468895 637408497 /nfs/dbraw/zinc/40/84/97/637408497.db2.gz HBSYJLFBPGOWGH-AWEZNQCLSA-N 1 1 295.329 3.016 20 30 CGEDMO C=CCC(F)(F)C(=O)OC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000851468895 637408503 /nfs/dbraw/zinc/40/85/03/637408503.db2.gz HBSYJLFBPGOWGH-AWEZNQCLSA-N 1 1 295.329 3.016 20 30 CGEDMO C=CCC(F)(F)C(=O)OC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000851468897 637409015 /nfs/dbraw/zinc/40/90/15/637409015.db2.gz HBSYJLFBPGOWGH-CQSZACIVSA-N 1 1 295.329 3.016 20 30 CGEDMO C=CCC(F)(F)C(=O)OC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000851468897 637409017 /nfs/dbraw/zinc/40/90/17/637409017.db2.gz HBSYJLFBPGOWGH-CQSZACIVSA-N 1 1 295.329 3.016 20 30 CGEDMO C=CC[N@@H+](Cc1cc(Br)cnc1OC)C(C)C ZINC000851731576 637481525 /nfs/dbraw/zinc/48/15/25/637481525.db2.gz UOVRFUVPJXIVPK-UHFFFAOYSA-N 1 1 299.212 3.249 20 30 CGEDMO C=CC[N@H+](Cc1cc(Br)cnc1OC)C(C)C ZINC000851731576 637481528 /nfs/dbraw/zinc/48/15/28/637481528.db2.gz UOVRFUVPJXIVPK-UHFFFAOYSA-N 1 1 299.212 3.249 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ncc(-c3ccccc3C)o2)C1 ZINC000886357290 637511666 /nfs/dbraw/zinc/51/16/66/637511666.db2.gz DWIIZAIABIYFAC-OAHLLOKOSA-N 1 1 280.371 3.495 20 30 CGEDMO C#CC[C@H]1CC[N@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000886355749 637511798 /nfs/dbraw/zinc/51/17/98/637511798.db2.gz NEVZSNPSVNUNNL-ZDUSSCGKSA-N 1 1 290.794 3.014 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cc(=O)oc3cc(C)c(C)cc23)C1 ZINC000886360347 637512394 /nfs/dbraw/zinc/51/23/94/637512394.db2.gz UWRRQMWYFRGCLL-HNNXBMFYSA-N 1 1 295.382 3.255 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2coc(-c3ccccc3OC)n2)C1 ZINC000886365334 637516166 /nfs/dbraw/zinc/51/61/66/637516166.db2.gz GFSWRIMUDDOTMZ-CQSZACIVSA-N 1 1 296.370 3.195 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000852087439 637588217 /nfs/dbraw/zinc/58/82/17/637588217.db2.gz JRFSQWMUFGSZDE-HNNXBMFYSA-N 1 1 295.361 3.472 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000852087439 637588219 /nfs/dbraw/zinc/58/82/19/637588219.db2.gz JRFSQWMUFGSZDE-HNNXBMFYSA-N 1 1 295.361 3.472 20 30 CGEDMO C#C[C@](C)(CC)[NH2+]Cc1coc(-c2cccc(F)c2)n1 ZINC000852098177 637590976 /nfs/dbraw/zinc/59/09/76/637590976.db2.gz HCURDYRZWRHGCW-MRXNPFEDSA-N 1 1 272.323 3.372 20 30 CGEDMO C#C[C@](C)(CC)[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000852098323 637591389 /nfs/dbraw/zinc/59/13/89/637591389.db2.gz JXTDUFNPGPPIEK-MRXNPFEDSA-N 1 1 254.333 3.233 20 30 CGEDMO C#C[C@](C)(CC)[NH2+][C@H](C)c1nnc(-c2ccccc2)o1 ZINC000852098934 637592022 /nfs/dbraw/zinc/59/20/22/637592022.db2.gz ZMVFTVHKAFRNTB-MLGOLLRUSA-N 1 1 269.348 3.189 20 30 CGEDMO CC[C@@H](CC(F)F)C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000852211321 637616382 /nfs/dbraw/zinc/61/63/82/637616382.db2.gz RKVLVFKXDYOYMO-WFASDCNBSA-N 1 1 296.361 3.205 20 30 CGEDMO CC(C)[C@H]([NH2+]CC1(C#N)CCCCC1)c1cnn(C)c1 ZINC000886637923 637622496 /nfs/dbraw/zinc/62/24/96/637622496.db2.gz HZSLDILKEQNKBS-HNNXBMFYSA-N 1 1 274.412 3.181 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](C[C@H](O)c2ccc(F)c(F)c2)C1 ZINC000852408963 637647605 /nfs/dbraw/zinc/64/76/05/637647605.db2.gz DMTDZEOQNMUPKS-LRDDRELGSA-N 1 1 281.346 3.286 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(F)cc2F)C1 ZINC000852411936 637648704 /nfs/dbraw/zinc/64/87/04/637648704.db2.gz WRLBJORKAZCATD-WBMJQRKESA-N 1 1 281.346 3.286 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnc(C(C)(C)C)o1 ZINC000852686543 637695540 /nfs/dbraw/zinc/69/55/40/637695540.db2.gz ITZKMTCXIRADAX-TXEJJXNPSA-N 1 1 261.369 3.050 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnc(C(C)(C)C)o1 ZINC000852686543 637695542 /nfs/dbraw/zinc/69/55/42/637695542.db2.gz ITZKMTCXIRADAX-TXEJJXNPSA-N 1 1 261.369 3.050 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886799175 637696494 /nfs/dbraw/zinc/69/64/94/637696494.db2.gz NRUPFCDTSCWBGK-LBPRGKRZSA-N 1 1 267.335 3.204 20 30 CGEDMO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc2c(c1)CCCO2 ZINC000852781629 637711213 /nfs/dbraw/zinc/71/12/13/637711213.db2.gz UENCOTCSWKAAAB-LLVKDONJSA-N 1 1 299.399 3.191 20 30 CGEDMO N#CC1(CCC[N@@H+](CC(F)F)C2CCC2)CCOCC1 ZINC000887102184 637747432 /nfs/dbraw/zinc/74/74/32/637747432.db2.gz GPMCJTXQUUCEEJ-UHFFFAOYSA-N 1 1 286.366 3.207 20 30 CGEDMO N#CC1(CCC[N@H+](CC(F)F)C2CCC2)CCOCC1 ZINC000887102184 637747437 /nfs/dbraw/zinc/74/74/37/637747437.db2.gz GPMCJTXQUUCEEJ-UHFFFAOYSA-N 1 1 286.366 3.207 20 30 CGEDMO C#Cc1cccnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000853331978 637813412 /nfs/dbraw/zinc/81/34/12/637813412.db2.gz BMFKTPZDMXVZFL-IRXDYDNUSA-N 1 1 297.446 3.154 20 30 CGEDMO C=C(Br)C[NH2+]Cc1cnc2ccccc2c1 ZINC000300716731 637850058 /nfs/dbraw/zinc/85/00/58/637850058.db2.gz FBONSHIXSRYNFJ-UHFFFAOYSA-N 1 1 277.165 3.233 20 30 CGEDMO C=CC[N@H+](CN1CC[C@@H](C2CCCCC2)C1=O)C1CC1 ZINC000853504640 637856840 /nfs/dbraw/zinc/85/68/40/637856840.db2.gz BZCHQJCRXNDAPT-INIZCTEOSA-N 1 1 276.424 3.023 20 30 CGEDMO C=CC[N@@H+](CN1CC[C@@H](C2CCCCC2)C1=O)C1CC1 ZINC000853504640 637856842 /nfs/dbraw/zinc/85/68/42/637856842.db2.gz BZCHQJCRXNDAPT-INIZCTEOSA-N 1 1 276.424 3.023 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1C[C@H](C2CCCC2)CC1=O ZINC000853597594 637871617 /nfs/dbraw/zinc/87/16/17/637871617.db2.gz BYXNWESRTFHDDA-ZACQAIPSSA-N 1 1 288.435 3.166 20 30 CGEDMO CCCCCCCCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC000112605575 638099398 /nfs/dbraw/zinc/09/93/98/638099398.db2.gz QFOKPZVCIKOWAV-OAHLLOKOSA-N 1 1 268.445 3.338 20 30 CGEDMO C#CCOc1ccc(C[NH2+][C@@H](C)c2nc(C)cs2)cc1 ZINC000113334655 638200485 /nfs/dbraw/zinc/20/04/85/638200485.db2.gz KPWWDNGRRVOYBZ-ZDUSSCGKSA-N 1 1 286.400 3.314 20 30 CGEDMO Cc1ccc2c(c1)CC[N@H+](CCCSCC#N)C2 ZINC000361840187 638240942 /nfs/dbraw/zinc/24/09/42/638240942.db2.gz QFGHHDAWGZGKPV-UHFFFAOYSA-N 1 1 260.406 3.000 20 30 CGEDMO C#C[C@H](CCC)NC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857191810 638470009 /nfs/dbraw/zinc/47/00/09/638470009.db2.gz SZPQQSFZHAOWHY-QZTJIDSGSA-N 1 1 298.430 3.028 20 30 CGEDMO C#CC[C@@H]([NH2+][C@@H](C)c1cc(OC)no1)c1ccccc1 ZINC000925635397 638551731 /nfs/dbraw/zinc/55/17/31/638551731.db2.gz QSRMNODSUHJVQV-GXTWGEPZSA-N 1 1 270.332 3.098 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc(OC)c1 ZINC000115534849 638564948 /nfs/dbraw/zinc/56/49/48/638564948.db2.gz QXZOWYOGOKYTOD-LJQANCHMSA-N 1 1 297.398 3.417 20 30 CGEDMO C=CC[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1ccncc1 ZINC000857854148 638578313 /nfs/dbraw/zinc/57/83/13/638578313.db2.gz CRQZOBLOLJXERK-LSDHHAIUSA-N 1 1 268.364 3.089 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@H]2CCCc3cn[nH]c32)cc1Cl ZINC000857867453 638587901 /nfs/dbraw/zinc/58/79/01/638587901.db2.gz YMKRHGKDXDYSSE-AWEZNQCLSA-N 1 1 286.766 3.102 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@H]2CCCc3c[nH]nc32)cc1Cl ZINC000857867453 638587906 /nfs/dbraw/zinc/58/79/06/638587906.db2.gz YMKRHGKDXDYSSE-AWEZNQCLSA-N 1 1 286.766 3.102 20 30 CGEDMO N#CCOc1ccc(C[NH2+][C@@H]2CCCc3scnc32)cc1 ZINC000858376509 638696498 /nfs/dbraw/zinc/69/64/98/638696498.db2.gz MLDXKVJZGIGACX-CQSZACIVSA-N 1 1 299.399 3.213 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@@H]2CCCc3c(Cl)ccnc32)nc1 ZINC000926229373 638747489 /nfs/dbraw/zinc/74/74/89/638747489.db2.gz VVXIMTHAGZNYEM-OAHLLOKOSA-N 1 1 298.777 3.169 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCC2(CCC2)O1 ZINC000929164177 638903943 /nfs/dbraw/zinc/90/39/43/638903943.db2.gz KKZQWIXXCVROGC-QGZVFWFLSA-N 1 1 284.403 3.482 20 30 CGEDMO CC[N@@H+](Cc1[nH]c(C)nc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000929333828 638919491 /nfs/dbraw/zinc/91/94/91/638919491.db2.gz RSZOQBJGKTWHNH-CYBMUJFWSA-N 1 1 282.391 3.481 20 30 CGEDMO CCO[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000929678394 638940622 /nfs/dbraw/zinc/94/06/22/638940622.db2.gz JHILZLUFHRHUGT-HNNXBMFYSA-N 1 1 278.783 3.213 20 30 CGEDMO CCO[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000929678394 638940623 /nfs/dbraw/zinc/94/06/23/638940623.db2.gz JHILZLUFHRHUGT-HNNXBMFYSA-N 1 1 278.783 3.213 20 30 CGEDMO C#CC[N@H+](CC)Cc1cncc(-c2cc(F)ccc2OC)c1 ZINC000929787988 638951791 /nfs/dbraw/zinc/95/17/91/638951791.db2.gz OJOHNEPRXMPORM-UHFFFAOYSA-N 1 1 298.361 3.351 20 30 CGEDMO N#CC1CCC(C[N@H+](CCO)[C@H]2CCc3ccccc32)CC1 ZINC000929796433 638952402 /nfs/dbraw/zinc/95/24/02/638952402.db2.gz BRAJPKWWXZUHDC-RJYAGPCLSA-N 1 1 298.430 3.298 20 30 CGEDMO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1cncc(C#N)c1 ZINC000929812480 638953839 /nfs/dbraw/zinc/95/38/39/638953839.db2.gz LGMQYBOCNLYVNK-KBXCAEBGSA-N 1 1 277.371 3.331 20 30 CGEDMO N#CC1CCC(C[NH+]2CCN(C3CCCCC3)CC2)CC1 ZINC000929844731 638956176 /nfs/dbraw/zinc/95/61/76/638956176.db2.gz FYYUFQWKUWBFPN-UHFFFAOYSA-N 1 1 289.467 3.267 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000930085619 638973160 /nfs/dbraw/zinc/97/31/60/638973160.db2.gz BIXYAQBQHRPWFX-LBPRGKRZSA-N 1 1 267.376 3.299 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000930085619 638973163 /nfs/dbraw/zinc/97/31/63/638973163.db2.gz BIXYAQBQHRPWFX-LBPRGKRZSA-N 1 1 267.376 3.299 20 30 CGEDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000930267088 638986883 /nfs/dbraw/zinc/98/68/83/638986883.db2.gz GAMNTZJKOBRXPF-HZPDHXFCSA-N 1 1 278.440 3.476 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000930264786 638987140 /nfs/dbraw/zinc/98/71/40/638987140.db2.gz RLOKPRPTUCFTBW-QGZVFWFLSA-N 1 1 280.375 3.235 20 30 CGEDMO CO[C@]1(C)CCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000930271431 638987616 /nfs/dbraw/zinc/98/76/16/638987616.db2.gz XNAZFSDFEVNALJ-OAHLLOKOSA-N 1 1 278.783 3.213 20 30 CGEDMO N#CC1CCC(C[N@H+]2CC[C@H](OCc3ccncc3)C2)CC1 ZINC000930292190 638988847 /nfs/dbraw/zinc/98/88/47/638988847.db2.gz IAVWYXVJDXVQMM-HTWSVDAQSA-N 1 1 299.418 3.002 20 30 CGEDMO CO[C@@]1(C)CCC[N@@H+](CC2CCC(C#N)CC2)CC1 ZINC000930289769 638988862 /nfs/dbraw/zinc/98/88/62/638988862.db2.gz ULFWCAAIVGXMBM-GPANFISMSA-N 1 1 264.413 3.207 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000930364245 638993031 /nfs/dbraw/zinc/99/30/31/638993031.db2.gz FNKPKDXBNXDOQG-ROUUACIJSA-N 1 1 284.403 3.319 20 30 CGEDMO N#Cc1c(Cl)nsc1NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000858779959 639021508 /nfs/dbraw/zinc/02/15/08/639021508.db2.gz FMZGCGNNIVDXDG-JTQLQIEISA-N 1 1 296.827 3.097 20 30 CGEDMO N#CC1(CCCC[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)CCC1 ZINC000930623656 639040426 /nfs/dbraw/zinc/04/04/26/639040426.db2.gz SGOQATUYJFNMIA-BBWFWOEESA-N 1 1 290.451 3.476 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C[C@@H]1C ZINC000930638719 639042839 /nfs/dbraw/zinc/04/28/39/639042839.db2.gz ONFBUOGFZPFKKV-NHYWBVRUSA-N 1 1 278.783 3.068 20 30 CGEDMO COC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000930676200 639051302 /nfs/dbraw/zinc/05/13/02/639051302.db2.gz LWSDFIKUJOOLFX-CYBMUJFWSA-N 1 1 292.810 3.460 20 30 CGEDMO Cc1cc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c(C)nn1 ZINC000930764769 639065721 /nfs/dbraw/zinc/06/57/21/639065721.db2.gz OBVDJFZCJGDEPE-AWEZNQCLSA-N 1 1 280.375 3.158 20 30 CGEDMO C[C@@H]1C[N@@H+](CC2CCC(C#N)CC2)CC2(CCCC2)O1 ZINC000930828250 639073515 /nfs/dbraw/zinc/07/35/15/639073515.db2.gz ZFYKOVBRVOCIHC-QQFBHYJXSA-N 1 1 276.424 3.350 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@H](C)c2snnc2C)C1 ZINC000930963762 639090887 /nfs/dbraw/zinc/09/08/87/639090887.db2.gz XOLLDWJDEHYUSX-VXGBXAGGSA-N 1 1 251.399 3.196 20 30 CGEDMO N#CC1CCC(C[N@@H+]2CCC[C@](O)(c3ccccc3)C2)CC1 ZINC000931176627 639121845 /nfs/dbraw/zinc/12/18/45/639121845.db2.gz IVTWPVIHGAUDPD-FAFZWHIHSA-N 1 1 298.430 3.300 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@H](c3ccccn3)C2)cc1C#N ZINC000859290963 639125274 /nfs/dbraw/zinc/12/52/74/639125274.db2.gz CNPYNQRWVPUSGQ-INIZCTEOSA-N 1 1 277.371 3.251 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000859446217 639142934 /nfs/dbraw/zinc/14/29/34/639142934.db2.gz XDRLPARGUDWROO-NSHDSACASA-N 1 1 264.300 3.132 20 30 CGEDMO Fc1ccc(C#CC[NH+]2CCC(c3ncco3)CC2)cc1 ZINC000931444421 639149635 /nfs/dbraw/zinc/14/96/35/639149635.db2.gz IGEQIZJPLHTBEH-UHFFFAOYSA-N 1 1 284.334 3.045 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCCC(F)(F)CC1 ZINC000859534772 639157486 /nfs/dbraw/zinc/15/74/86/639157486.db2.gz FGYNBGPACGCZOG-UHFFFAOYSA-N 1 1 268.282 3.319 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCCC(F)(F)CC1 ZINC000859534772 639157488 /nfs/dbraw/zinc/15/74/88/639157488.db2.gz FGYNBGPACGCZOG-UHFFFAOYSA-N 1 1 268.282 3.319 20 30 CGEDMO COc1cccc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)c1C ZINC000931473608 639157519 /nfs/dbraw/zinc/15/75/19/639157519.db2.gz AUOOGWUNISBFCU-HIFRSBDPSA-N 1 1 258.365 3.128 20 30 CGEDMO COc1cccc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)c1C ZINC000931473608 639157523 /nfs/dbraw/zinc/15/75/23/639157523.db2.gz AUOOGWUNISBFCU-HIFRSBDPSA-N 1 1 258.365 3.128 20 30 CGEDMO CC(C)(C)[C@@H]1CSCC[N@H+]1Cc1ccc(C#N)o1 ZINC000931592843 639176260 /nfs/dbraw/zinc/17/62/60/639176260.db2.gz RKPPYTYDAJUQQO-ZDUSSCGKSA-N 1 1 264.394 3.115 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H](CF)C1 ZINC000931682497 639188004 /nfs/dbraw/zinc/18/80/04/639188004.db2.gz MVWPPAAIMTXELA-AWEZNQCLSA-N 1 1 260.356 3.357 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cnc(N(C)C)c3ccccc23)C1 ZINC000931715382 639195374 /nfs/dbraw/zinc/19/53/74/639195374.db2.gz VIAJMEZHDOTYKU-OAHLLOKOSA-N 1 1 293.414 3.146 20 30 CGEDMO C=C(C)C[N@H+]1Cc2ccccc2OC2(CCOCC2)C1 ZINC000932036419 639253562 /nfs/dbraw/zinc/25/35/62/639253562.db2.gz CYBDFVOWTNXQDJ-UHFFFAOYSA-N 1 1 273.376 3.006 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2ccn(C)n2)C1 ZINC000932136432 639272044 /nfs/dbraw/zinc/27/20/44/639272044.db2.gz MVZDRKPHGDZQNF-PBHICJAKSA-N 1 1 294.402 3.232 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@H]1c1ccnn1C ZINC000932260614 639302511 /nfs/dbraw/zinc/30/25/11/639302511.db2.gz GIERMIDDQDXTAI-INIZCTEOSA-N 1 1 259.397 3.141 20 30 CGEDMO Cn1nccc1[C@H]1CCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000932263837 639304814 /nfs/dbraw/zinc/30/48/14/639304814.db2.gz XVMWTGFQSOGNAS-MRXNPFEDSA-N 1 1 286.423 3.421 20 30 CGEDMO C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCOCCC#N ZINC000932276960 639311940 /nfs/dbraw/zinc/31/19/40/639311940.db2.gz ZAYIKRVGSCOHRW-DOTOQJQBSA-N 1 1 272.392 3.185 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[NH2+][C@H](c1ncccn1)C1CC1 ZINC000932352842 639318777 /nfs/dbraw/zinc/31/87/77/639318777.db2.gz UKGXQVVUKWQBQP-KRWDZBQOSA-N 1 1 292.386 3.206 20 30 CGEDMO C#CC[N@@H+](Cc1cccc(C(=O)N2CCCCC2)c1)C(C)C ZINC000932393636 639324732 /nfs/dbraw/zinc/32/47/32/639324732.db2.gz XWQXMKKFKVTJOW-UHFFFAOYSA-N 1 1 298.430 3.156 20 30 CGEDMO C#CC[N@H+](CC(=O)Nc1cccc(Cl)c1Cl)C(C)C ZINC000932391320 639324902 /nfs/dbraw/zinc/32/49/02/639324902.db2.gz VRXMVZWJXBWAJD-UHFFFAOYSA-N 1 1 299.201 3.276 20 30 CGEDMO C#CC[N@@H+](CC(=O)Nc1cccc(Cl)c1Cl)C(C)C ZINC000932391320 639324909 /nfs/dbraw/zinc/32/49/09/639324909.db2.gz VRXMVZWJXBWAJD-UHFFFAOYSA-N 1 1 299.201 3.276 20 30 CGEDMO C#CCC1([NH2+]CC(F)(F)C(F)F)CCCCC1 ZINC000933269464 639434609 /nfs/dbraw/zinc/43/46/09/639434609.db2.gz NNTFXDNXADSAOL-UHFFFAOYSA-N 1 1 251.267 3.203 20 30 CGEDMO C#CC[N@@H+](CCc1cnccn1)[C@@H]1CCCc2ccccc21 ZINC000933417354 639448205 /nfs/dbraw/zinc/44/82/05/639448205.db2.gz HACGPXFTMHPOJE-LJQANCHMSA-N 1 1 291.398 3.032 20 30 CGEDMO C=CC[C@H](C)OC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC000860901696 639460201 /nfs/dbraw/zinc/46/02/01/639460201.db2.gz SSBDZNUGDRAHMG-LBPRGKRZSA-N 1 1 253.386 3.147 20 30 CGEDMO Cc1nnc([C@H](C)[NH+]2CCC(c3ccc(C#N)cc3)CC2)o1 ZINC000933611824 639469438 /nfs/dbraw/zinc/46/94/38/639469438.db2.gz BRBNJJUEPFDJCJ-LBPRGKRZSA-N 1 1 296.374 3.190 20 30 CGEDMO N#Cc1ccc([C@@H]2C[N@@H+](C[C@@H]3CC[C@H]4C[C@H]4C3)CCO2)cc1 ZINC000933633102 639471788 /nfs/dbraw/zinc/47/17/88/639471788.db2.gz VKOQGQYRRQQQMS-LULLPPNCSA-N 1 1 296.414 3.368 20 30 CGEDMO O=C1C=COC2(CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000933648159 639474798 /nfs/dbraw/zinc/47/47/98/639474798.db2.gz SZESBWOVDFOEAE-UHFFFAOYSA-N 1 1 291.778 3.178 20 30 CGEDMO Cc1nc(CC[N@H+](C)Cc2cc(C#N)cs2)cs1 ZINC000933774240 639489680 /nfs/dbraw/zinc/48/96/80/639489680.db2.gz YUXPQKFGYDOOJK-UHFFFAOYSA-N 1 1 277.418 3.059 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1cncc(C(F)(F)F)c1 ZINC000934463511 639611607 /nfs/dbraw/zinc/61/16/07/639611607.db2.gz JEBAWXAYROXKJR-GFCCVEGCSA-N 1 1 256.271 3.251 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1cncc(C(F)(F)F)c1 ZINC000934463511 639611619 /nfs/dbraw/zinc/61/16/19/639611619.db2.gz JEBAWXAYROXKJR-GFCCVEGCSA-N 1 1 256.271 3.251 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1C[C@@H](O)c1cccc(Br)c1 ZINC000934471954 639614842 /nfs/dbraw/zinc/61/48/42/639614842.db2.gz WZQHEZBWMTVJHT-ZIAGYGMSSA-N 1 1 296.208 3.133 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1C[C@@H](O)c1cccc(Br)c1 ZINC000934471954 639614847 /nfs/dbraw/zinc/61/48/47/639614847.db2.gz WZQHEZBWMTVJHT-ZIAGYGMSSA-N 1 1 296.208 3.133 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1nnc(-c2ccc(C)cc2)o1 ZINC000934470970 639616113 /nfs/dbraw/zinc/61/61/13/639616113.db2.gz FWCAWNQMSZDXIV-AWEZNQCLSA-N 1 1 269.348 3.195 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1nnc(-c2ccc(C)cc2)o1 ZINC000934470970 639616120 /nfs/dbraw/zinc/61/61/20/639616120.db2.gz FWCAWNQMSZDXIV-AWEZNQCLSA-N 1 1 269.348 3.195 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1nnc(-c2cc(C)oc2C)o1 ZINC000934473301 639616968 /nfs/dbraw/zinc/61/69/68/639616968.db2.gz VSFRVGGASGXACB-LBPRGKRZSA-N 1 1 273.336 3.097 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1nnc(-c2cc(C)oc2C)o1 ZINC000934473301 639616972 /nfs/dbraw/zinc/61/69/72/639616972.db2.gz VSFRVGGASGXACB-LBPRGKRZSA-N 1 1 273.336 3.097 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000934473077 639617352 /nfs/dbraw/zinc/61/73/52/639617352.db2.gz UKTVSIYDQMGKMC-HEHGZKQESA-N 1 1 290.382 3.042 20 30 CGEDMO C#C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1Cl ZINC000934511839 639623234 /nfs/dbraw/zinc/62/32/34/639623234.db2.gz VDBPMKXBSCDOOM-ZDUSSCGKSA-N 1 1 290.794 3.156 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000935011715 639731462 /nfs/dbraw/zinc/73/14/62/639731462.db2.gz KPSCIQYITRTKQC-BFYDXBDKSA-N 1 1 290.451 3.064 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000935027698 639734763 /nfs/dbraw/zinc/73/47/63/639734763.db2.gz QGHADOSAKBJVQF-DLBZAZTESA-N 1 1 299.418 3.020 20 30 CGEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@H](C)c2ccccc2)c1 ZINC000080049660 640446494 /nfs/dbraw/zinc/44/64/94/640446494.db2.gz VIQAJACJHQIHJF-OAHLLOKOSA-N 1 1 292.382 3.299 20 30 CGEDMO C#Cc1cccc(NC(=O)C[N@H+](C)[C@H](C)c2ccccc2)c1 ZINC000080049660 640446502 /nfs/dbraw/zinc/44/65/02/640446502.db2.gz VIQAJACJHQIHJF-OAHLLOKOSA-N 1 1 292.382 3.299 20 30 CGEDMO Cc1cc(C[N@@H+]2CCC[C@@H](C#N)C2)c2ccccc2n1 ZINC000092347736 640735278 /nfs/dbraw/zinc/73/52/78/640735278.db2.gz WPCBFARNLJHALO-AWEZNQCLSA-N 1 1 265.360 3.279 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@@H](C#N)C2)c2ccccc2n1 ZINC000092347736 640735282 /nfs/dbraw/zinc/73/52/82/640735282.db2.gz WPCBFARNLJHALO-AWEZNQCLSA-N 1 1 265.360 3.279 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+](CC)C[C@H]2CCCO2)cc1 ZINC000092407529 640735913 /nfs/dbraw/zinc/73/59/13/640735913.db2.gz MCGPNFKCFQGWCC-GOSISDBHSA-N 1 1 287.403 3.090 20 30 CGEDMO CCCCCCCC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000248247435 640749297 /nfs/dbraw/zinc/74/92/97/640749297.db2.gz HQPJXSHIKKKBBL-AWEZNQCLSA-N 1 1 280.412 3.359 20 30 CGEDMO C[C@H]1C[C@@H](Nc2nc3ccccc3cc2C#N)CC[N@H+]1C ZINC000094267078 640792273 /nfs/dbraw/zinc/79/22/73/640792273.db2.gz KDSRDVQMUZQDOT-WFASDCNBSA-N 1 1 280.375 3.001 20 30 CGEDMO C#CC[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000303808609 640844285 /nfs/dbraw/zinc/84/42/85/640844285.db2.gz CEBXOGOPUHDBRP-UHFFFAOYSA-N 1 1 278.193 3.046 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001007368664 640940516 /nfs/dbraw/zinc/94/05/16/640940516.db2.gz PWUGUSKPENWDIG-HRCADAONSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001007397874 640942446 /nfs/dbraw/zinc/94/24/46/640942446.db2.gz VXVTXBDARYSKGH-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC23CC3)C1 ZINC001007621476 640943460 /nfs/dbraw/zinc/94/34/60/640943460.db2.gz XQCVDCPLGNIZCM-HZPDHXFCSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cscc2Cl)C1 ZINC001007564099 640943661 /nfs/dbraw/zinc/94/36/61/640943661.db2.gz YGLQBFRVLGLXQX-NSHDSACASA-N 1 1 298.839 3.172 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001007623752 640944113 /nfs/dbraw/zinc/94/41/13/640944113.db2.gz YUQNUYVBZHELEF-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CCC[N@@H+](C[C@H](F)CC)C2)CC1 ZINC001008422597 640950668 /nfs/dbraw/zinc/95/06/68/640950668.db2.gz NZVQYFINOGTHNR-CVEARBPZSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CCC[N@H+](C[C@H](F)CC)C2)CC1 ZINC001008422597 640950669 /nfs/dbraw/zinc/95/06/69/640950669.db2.gz NZVQYFINOGTHNR-CVEARBPZSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCCC(C)(C)C2)C1 ZINC001009199576 640956529 /nfs/dbraw/zinc/95/65/29/640956529.db2.gz FRFGUFYQZZRZDE-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccoc2CCC)C1 ZINC001009195783 640956537 /nfs/dbraw/zinc/95/65/37/640956537.db2.gz OKMWBRGNXAXUGE-CQSZACIVSA-N 1 1 290.407 3.002 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](NC(=O)c2c(C)csc2Cl)C1 ZINC001009349459 640958598 /nfs/dbraw/zinc/95/85/98/640958598.db2.gz AYTWMLPPLJZRBJ-NSHDSACASA-N 1 1 298.839 3.090 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2c(C)csc2Cl)C1 ZINC001009349459 640958602 /nfs/dbraw/zinc/95/86/02/640958602.db2.gz AYTWMLPPLJZRBJ-NSHDSACASA-N 1 1 298.839 3.090 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)c2cccc3ccccc32)C1 ZINC001009400440 640959278 /nfs/dbraw/zinc/95/92/78/640959278.db2.gz HUUFXIAJDJDIFP-MRXNPFEDSA-N 1 1 294.398 3.220 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001009321807 640959467 /nfs/dbraw/zinc/95/94/67/640959467.db2.gz ZVLXNZBIGOKLAH-GOSISDBHSA-N 1 1 298.430 3.028 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)c2cc3cccc(C)c3o2)C1 ZINC001009652682 640960083 /nfs/dbraw/zinc/96/00/83/640960083.db2.gz WQRYZZDCPWGXFH-OAHLLOKOSA-N 1 1 298.386 3.121 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3cccc(C)c3o2)C1 ZINC001009652682 640960086 /nfs/dbraw/zinc/96/00/86/640960086.db2.gz WQRYZZDCPWGXFH-OAHLLOKOSA-N 1 1 298.386 3.121 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001009649155 640960665 /nfs/dbraw/zinc/96/06/65/640960665.db2.gz QAMYKEBXKTZWBN-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2ccc(F)s2)C1 ZINC001009702641 640963187 /nfs/dbraw/zinc/96/31/87/640963187.db2.gz LIQWGYREWWHQSW-LBPRGKRZSA-N 1 1 296.411 3.048 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001014544896 640973773 /nfs/dbraw/zinc/97/37/73/640973773.db2.gz PLPMDBBTTNDPHL-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cccc(Cl)c2)C1 ZINC001016073426 640991687 /nfs/dbraw/zinc/99/16/87/640991687.db2.gz BXMLCJPRUGFFTK-HNNXBMFYSA-N 1 1 292.810 3.110 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccccc2C2CCC2)C1 ZINC001016133996 640992285 /nfs/dbraw/zinc/99/22/85/640992285.db2.gz UYIPIBLNCUVVKP-INIZCTEOSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2cccc(C3CC3)c2)C1 ZINC001016356511 640995584 /nfs/dbraw/zinc/99/55/84/640995584.db2.gz JMGOGTBQWIUAEP-GOSISDBHSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2sccc2CC)C1 ZINC001016329385 640995602 /nfs/dbraw/zinc/99/56/02/640995602.db2.gz YWRBZEYGTYABEX-AWEZNQCLSA-N 1 1 292.448 3.081 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC001016425218 640999463 /nfs/dbraw/zinc/99/94/63/640999463.db2.gz SJCMZFPFQWXKRF-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCCCCCC1 ZINC001017720144 641016439 /nfs/dbraw/zinc/01/64/39/641016439.db2.gz BVTWKRLGLFYYNG-CALCHBBNSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCCCCCC1 ZINC001017720144 641016442 /nfs/dbraw/zinc/01/64/42/641016442.db2.gz BVTWKRLGLFYYNG-CALCHBBNSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H](C)C1 ZINC001017866242 641017239 /nfs/dbraw/zinc/01/72/39/641017239.db2.gz QWJNVVWMVJUMFH-VVLHAWIVSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)CC ZINC001017871354 641017733 /nfs/dbraw/zinc/01/77/33/641017733.db2.gz DIZULXFGGWTOQX-GASCZTMLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(C)cc1F ZINC001155438991 805582172 /nfs/dbraw/zinc/58/21/72/805582172.db2.gz JDXSBUJGYBWBBQ-CQSZACIVSA-N 1 1 292.398 3.150 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](F)c1ccccc1 ZINC001155496534 805586391 /nfs/dbraw/zinc/58/63/91/805586391.db2.gz BVWMAAHJYZVNHU-ZBFHGGJFSA-N 1 1 292.398 3.100 20 30 CGEDMO Cc1ccc(CC#N)c(NCCOc2ccccc2F)[nH+]1 ZINC001156023244 805641856 /nfs/dbraw/zinc/64/18/56/805641856.db2.gz GATCZYBHMINHAQ-UHFFFAOYSA-N 1 1 285.322 3.086 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)CC(C)C ZINC001156041049 805644522 /nfs/dbraw/zinc/64/45/22/805644522.db2.gz IOTNEXGANWUANL-HUUCEWRRSA-N 1 1 268.445 3.071 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)CC(C)C ZINC001156041628 805644657 /nfs/dbraw/zinc/64/46/57/805644657.db2.gz QZMVSXCIZFWZMV-LSDHHAIUSA-N 1 1 268.445 3.071 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)C1(CC)CCCC1 ZINC001156119974 805655586 /nfs/dbraw/zinc/65/55/86/805655586.db2.gz NZUUVRUVIMNQTI-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)cc2c1OCC=C2 ZINC001250512676 805666337 /nfs/dbraw/zinc/66/63/37/805666337.db2.gz LHORTDKJZPKWAJ-AWEZNQCLSA-N 1 1 298.386 3.226 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)CC(C)C ZINC001156240741 805667156 /nfs/dbraw/zinc/66/71/56/805667156.db2.gz NCMZUBZOXNVOGJ-OAHLLOKOSA-N 1 1 282.472 3.461 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)CCCCCC ZINC001156310736 805674712 /nfs/dbraw/zinc/67/47/12/805674712.db2.gz CTGZGTLKOXEOKD-DLBZAZTESA-N 1 1 294.483 3.443 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)c1ccco1 ZINC001156422026 805688883 /nfs/dbraw/zinc/68/88/83/805688883.db2.gz VMIIWKAFQVELQG-LSDHHAIUSA-N 1 1 292.423 3.176 20 30 CGEDMO N#Cc1ccccc1-c1ccccc1C[NH+]1CCOCC1 ZINC001250581142 805706021 /nfs/dbraw/zinc/70/60/21/805706021.db2.gz PUBSANUTWSXXSR-UHFFFAOYSA-N 1 1 278.355 3.057 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCCNc1ccc2[nH]c(C#N)cc2n1 ZINC001156929193 805756269 /nfs/dbraw/zinc/75/62/69/805756269.db2.gz UAVJYHGWOCQOKY-CYBMUJFWSA-N 1 1 297.406 3.111 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)CCCCC ZINC001157035386 805767799 /nfs/dbraw/zinc/76/77/99/805767799.db2.gz OJLPNAFEWQRFQV-MRXNPFEDSA-N 1 1 294.483 3.443 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)CCCCC ZINC001157041168 805767833 /nfs/dbraw/zinc/76/78/33/805767833.db2.gz GQEPEIWCXUZQHR-SJORKVTESA-N 1 1 294.483 3.443 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)C1CCCC1 ZINC001157423818 805810879 /nfs/dbraw/zinc/81/08/79/805810879.db2.gz YPIAGVGEGCAFBF-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C(CC)CC ZINC001157561489 805835668 /nfs/dbraw/zinc/83/56/68/805835668.db2.gz HMJCEHQETGPBMR-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CCN(CC#C)c1ccc([C@@H]2CCCC[N@@H+]2CCC)cn1 ZINC001157564027 805836348 /nfs/dbraw/zinc/83/63/48/805836348.db2.gz PJXAQASYGYQSIE-SFHVURJKSA-N 1 1 295.430 3.091 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)/C=C(\C)C1CC1 ZINC001157614623 805842581 /nfs/dbraw/zinc/84/25/81/805842581.db2.gz PMULZSVNJMOYRC-GSPCDJLXSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC(=C)Cl ZINC001157656545 805846544 /nfs/dbraw/zinc/84/65/44/805846544.db2.gz PPBPYTSVZVHQTK-CQSZACIVSA-N 1 1 284.831 3.018 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@@H]1C[N@H+](C)CC(=C)Cl ZINC001157656545 805846554 /nfs/dbraw/zinc/84/65/54/805846554.db2.gz PPBPYTSVZVHQTK-CQSZACIVSA-N 1 1 284.831 3.018 20 30 CGEDMO CCCCCCC[N@@H+](C)C[C@@H](O)COc1ccccc1 ZINC001251185589 805861523 /nfs/dbraw/zinc/86/15/23/805861523.db2.gz URFXZZMIWMVKSX-MRXNPFEDSA-N 1 1 279.424 3.329 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)/C=C\C(C)(C)C ZINC001157754122 805861954 /nfs/dbraw/zinc/86/19/54/805861954.db2.gz CIDRPTAIZOGMMY-JQPIKURYSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CC[N@H+](C[C@H](O)COc1ccccc1)C1CCCCC1 ZINC001251199730 805862385 /nfs/dbraw/zinc/86/23/85/805862385.db2.gz NRNODAOPRVAHLF-KRWDZBQOSA-N 1 1 289.419 3.247 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)/C=C\C1CC1 ZINC001157754374 805862658 /nfs/dbraw/zinc/86/26/58/805862658.db2.gz FITHQSFKQFVQBV-DOOKAGJSSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CC1CCC1 ZINC001157768488 805867144 /nfs/dbraw/zinc/86/71/44/805867144.db2.gz IRXFQQRLRMYJSP-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCC(=C)C ZINC001158011646 805912698 /nfs/dbraw/zinc/91/26/98/805912698.db2.gz JBZQCNJGGXIKHO-MRXNPFEDSA-N 1 1 278.440 3.232 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@@](C)(O)CC1 ZINC001252121995 806009815 /nfs/dbraw/zinc/00/98/15/806009815.db2.gz NWPBLMHSPTWGGP-IAGOWNOFSA-N 1 1 285.472 3.335 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+]1CCCC[C@H]1C(=O)OC ZINC001252123924 806010704 /nfs/dbraw/zinc/01/07/04/806010704.db2.gz MSSDIFDRYVPXPD-CVEARBPZSA-N 1 1 299.455 3.125 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCCC[C@H]1C(=O)OC ZINC001252123924 806010715 /nfs/dbraw/zinc/01/07/15/806010715.db2.gz MSSDIFDRYVPXPD-CVEARBPZSA-N 1 1 299.455 3.125 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@H]1CC(=O)OC ZINC001252129846 806015036 /nfs/dbraw/zinc/01/50/36/806015036.db2.gz FPZHBUCMAIYRPG-JKSUJKDBSA-N 1 1 299.455 3.125 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+](CC)CCn1ccnc1 ZINC001252132164 806016895 /nfs/dbraw/zinc/01/68/95/806016895.db2.gz AONKUZNLZJQNGF-KRWDZBQOSA-N 1 1 295.471 3.317 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC001252132338 806017966 /nfs/dbraw/zinc/01/79/66/806017966.db2.gz GEXHDKKAMKKWDQ-XHSDSOJGSA-N 1 1 271.445 3.207 20 30 CGEDMO Cc1[nH+]c(NCCC(=O)c2ccccc2)ccc1CC#N ZINC001159022676 806033994 /nfs/dbraw/zinc/03/39/94/806033994.db2.gz CPMJFOZLEUAKAJ-UHFFFAOYSA-N 1 1 279.343 3.141 20 30 CGEDMO C=CCOC[C@@H](O)C[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC001252465434 806048154 /nfs/dbraw/zinc/04/81/54/806048154.db2.gz GXTVJXVFHWJGKN-BBRMVZONSA-N 1 1 295.810 3.040 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)CCCCC)CC1 ZINC001159260297 806067587 /nfs/dbraw/zinc/06/75/87/806067587.db2.gz DIBLXQUCDGJBRN-UHFFFAOYSA-N 1 1 278.440 3.281 20 30 CGEDMO C=C[C@](C)(O)CNc1ccc([NH+]2CCCCC2)cc1 ZINC001252565152 806068764 /nfs/dbraw/zinc/06/87/64/806068764.db2.gz PNSQKQWJAGEYIC-INIZCTEOSA-N 1 1 260.381 3.026 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H](Oc2ccc(C)cc2)C1 ZINC001252599523 806081702 /nfs/dbraw/zinc/08/17/02/806081702.db2.gz BDLFUKHYLVJSMO-SJLPKXTDSA-N 1 1 289.419 3.165 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H](c2cccc(OC)c2)C1 ZINC001252603988 806083526 /nfs/dbraw/zinc/08/35/26/806083526.db2.gz KLFSPSDZVJTJNH-IAGOWNOFSA-N 1 1 289.419 3.202 20 30 CGEDMO N#CCC[N@@H+](C[C@@H](O)c1ccc(F)cc1)C1CCCC1 ZINC001252846090 806131490 /nfs/dbraw/zinc/13/14/90/806131490.db2.gz GUMZKBUYBRBDRD-MRXNPFEDSA-N 1 1 276.355 3.017 20 30 CGEDMO N#CCC[N@H+](C[C@@H](O)c1ccc(F)cc1)C1CCCC1 ZINC001252846090 806131492 /nfs/dbraw/zinc/13/14/92/806131492.db2.gz GUMZKBUYBRBDRD-MRXNPFEDSA-N 1 1 276.355 3.017 20 30 CGEDMO C[C@H](Nc1[nH+]ccc2[nH]cc(C#N)c21)c1cccc(N)c1 ZINC001159639428 806138349 /nfs/dbraw/zinc/13/83/49/806138349.db2.gz RBAFNOLNHBSWFF-JTQLQIEISA-N 1 1 277.331 3.190 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)/C=C\C2CC2)CC1 ZINC001159685073 806151051 /nfs/dbraw/zinc/15/10/51/806151051.db2.gz CHSWUSZUJSBHRY-WAYWQWQTSA-N 1 1 288.435 3.057 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1CCCC[C@H]1COC ZINC001253233853 806188440 /nfs/dbraw/zinc/18/84/40/806188440.db2.gz PELOUDMGBVWHEN-DLBZAZTESA-N 1 1 283.456 3.375 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@H](C)[C@](C)(O)CC1 ZINC001253233315 806186801 /nfs/dbraw/zinc/18/68/01/806186801.db2.gz CCILHJRVTYNVSN-OKZBNKHCSA-N 1 1 297.483 3.357 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC001253238727 806189993 /nfs/dbraw/zinc/18/99/93/806189993.db2.gz DSNTVUQELZLYQD-OAGGEKHMSA-N 1 1 265.441 3.462 20 30 CGEDMO C=CCCCCCC[C@H](O)C[NH+]1CC(N2CCCCC2)C1 ZINC001253240318 806190265 /nfs/dbraw/zinc/19/02/65/806190265.db2.gz IZUKEPQRIULFKG-SFHVURJKSA-N 1 1 294.483 3.044 20 30 CGEDMO C=CCCCCCC[C@H](O)C[NH2+]Cc1nccnc1Cl ZINC001253246901 806194061 /nfs/dbraw/zinc/19/40/61/806194061.db2.gz DLXQAUUKVFYWLE-ZDUSSCGKSA-N 1 1 297.830 3.107 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[NH2+]C1CCN(C(C)C)CC1 ZINC001253248263 806195614 /nfs/dbraw/zinc/19/56/14/806195614.db2.gz SUPBOFHAGPRSLA-GOSISDBHSA-N 1 1 296.499 3.336 20 30 CGEDMO C=CCCCCCC[C@H](O)C[NH2+]CC(C)(C)CN(C)C ZINC001253250424 806196857 /nfs/dbraw/zinc/19/68/57/806196857.db2.gz YUMZDTPAJAILGZ-INIZCTEOSA-N 1 1 284.488 3.051 20 30 CGEDMO CCCCCCC[N@@H+](CC)C[C@@H](O)COC(C)(C)C ZINC001253452736 806220573 /nfs/dbraw/zinc/22/05/73/806220573.db2.gz MXAXWLCDHDFFLM-OAHLLOKOSA-N 1 1 273.461 3.455 20 30 CGEDMO CCCCCCCC[N@@H+](C)C[C@H](O)COC(C)(C)C ZINC001253452144 806221209 /nfs/dbraw/zinc/22/12/09/806221209.db2.gz HRXVVVVSPSWSRC-HNNXBMFYSA-N 1 1 273.461 3.455 20 30 CGEDMO C=CCOc1ccccc1[C@H](C)Nc1ccc(N)c[nH+]1 ZINC001160179286 806232407 /nfs/dbraw/zinc/23/24/07/806232407.db2.gz VYIRQZMFBYDAPR-LBPRGKRZSA-N 1 1 269.348 3.402 20 30 CGEDMO C=C[C@@H](O)C[N@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC001253567660 806261313 /nfs/dbraw/zinc/26/13/13/806261313.db2.gz QMCPHTLBFJOMMZ-KGLIPLIRSA-N 1 1 296.208 3.133 20 30 CGEDMO C=C[C@@H](O)C[N@H+]1CCC[C@H]1c1ccc(Cl)s1 ZINC001253580219 806264078 /nfs/dbraw/zinc/26/40/78/806264078.db2.gz WVRAGTODSBVWIG-ZJUUUORDSA-N 1 1 257.786 3.085 20 30 CGEDMO C=C[C@@H](O)C[N@H+](CC)Cc1cccc(C(F)(F)F)c1 ZINC001253586681 806265255 /nfs/dbraw/zinc/26/52/55/806265255.db2.gz QAEKZLZPTJNORX-CYBMUJFWSA-N 1 1 273.298 3.074 20 30 CGEDMO C=C[C@H](O)C[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC001253586440 806265394 /nfs/dbraw/zinc/26/53/94/806265394.db2.gz MGCAJNAHGKDNSN-KBPBESRZSA-N 1 1 251.757 3.024 20 30 CGEDMO C=C[C@H](O)C[N@H+](C)[C@H](C)c1cccc2ccccc21 ZINC001253587086 806265500 /nfs/dbraw/zinc/26/55/00/806265500.db2.gz YWWATSBNDFMQBR-HIFRSBDPSA-N 1 1 255.361 3.380 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H](C)C(C)(C)C)CC1 ZINC001160492189 806278465 /nfs/dbraw/zinc/27/84/65/806278465.db2.gz NQIFALFGDVFNJX-HNNXBMFYSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)[C@](C)(F)CCCC)CC1 ZINC001160529338 806282192 /nfs/dbraw/zinc/28/21/92/806282192.db2.gz HIVXBSJGIOFISJ-QGZVFWFLSA-N 1 1 296.430 3.229 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)C2(C)CCCC2)CC1 ZINC001160816378 806307523 /nfs/dbraw/zinc/30/75/23/806307523.db2.gz PZOBCYGEBJIIOP-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CC(C)(C)C(=O)NCCC1=CC[N@@H+](CC[C@@H](C)F)CC1 ZINC001160888279 806317114 /nfs/dbraw/zinc/31/71/14/806317114.db2.gz HVPOQUZFKYDAMN-CQSZACIVSA-N 1 1 296.430 3.085 20 30 CGEDMO C=CC(C)(C)C(=O)NCCC1=CC[N@@H+](C[C@@H](C)CC)CC1 ZINC001160888259 806317134 /nfs/dbraw/zinc/31/71/34/806317134.db2.gz FAPMTTHVRSRNKT-HNNXBMFYSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CC(C)(C)C(=O)NCCC1=CC[N@@H+](C[C@H](F)CC)CC1 ZINC001160888389 806317341 /nfs/dbraw/zinc/31/73/41/806317341.db2.gz UTSLVORGPHTSHF-OAHLLOKOSA-N 1 1 296.430 3.085 20 30 CGEDMO C=CC(C)(C)C(=O)NCCC1=CC[N@@H+](C/C=C/Cl)CC1 ZINC001160915003 806320625 /nfs/dbraw/zinc/32/06/25/806320625.db2.gz GCMPKRKHAHKQBU-WEVVVXLNSA-N 1 1 296.842 3.090 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1ccc2cccc(OC)c2n1 ZINC001160953239 806328840 /nfs/dbraw/zinc/32/88/40/806328840.db2.gz YLEOZOKZWQQHLR-HNNXBMFYSA-N 1 1 297.402 3.306 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1ccc2ccc(OC)cc2n1 ZINC001160954274 806329656 /nfs/dbraw/zinc/32/96/56/806329656.db2.gz UIFODIYBGZACPD-HNNXBMFYSA-N 1 1 297.402 3.306 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OCCC)c(OC)c1)CC1CC1 ZINC001254039913 806333250 /nfs/dbraw/zinc/33/32/50/806333250.db2.gz JTDASAKMTRXCJO-UHFFFAOYSA-N 1 1 287.403 3.329 20 30 CGEDMO C=CCCCC(=O)NCCC1=CC[N@@H+](CC[C@H](C)F)CC1 ZINC001161056334 806344657 /nfs/dbraw/zinc/34/46/57/806344657.db2.gz CYAIWWXLZJFGCE-HNNXBMFYSA-N 1 1 296.430 3.229 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)C(C)(C)CC)CC1 ZINC001161078299 806347744 /nfs/dbraw/zinc/34/77/44/806347744.db2.gz SULVBXVPQDJJTP-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H](C)CC(C)C)CC1 ZINC001161579413 806396104 /nfs/dbraw/zinc/39/61/04/806396104.db2.gz RAMRFJKHPYUGJX-INIZCTEOSA-N 1 1 292.467 3.383 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](C2CCc3ccccc3CC2)C1 ZINC001254463602 806411610 /nfs/dbraw/zinc/41/16/10/806411610.db2.gz SLMFLLLDHZZVEI-QGZVFWFLSA-N 1 1 254.377 3.170 20 30 CGEDMO CC(C)[C@@H]([NH2+][C@@H]1CCCN(C)CC1)c1cccc(C#N)c1 ZINC001254506858 806428728 /nfs/dbraw/zinc/42/87/28/806428728.db2.gz BRMWHHHJDQCPCC-QZTJIDSGSA-N 1 1 285.435 3.329 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[C@H](C)CC2)CC1 ZINC001161743717 806442044 /nfs/dbraw/zinc/44/20/44/806442044.db2.gz UALXETCVUBQZKE-JCNLHEQBSA-N 1 1 290.451 3.137 20 30 CGEDMO N#C[C@H]1CC[C@H]([NH2+]Cc2nccc(Cl)c2Cl)C1 ZINC001254648264 806472552 /nfs/dbraw/zinc/47/25/52/806472552.db2.gz GZZFMTYONOCUPI-IUCAKERBSA-N 1 1 270.163 3.170 20 30 CGEDMO N#C[C@H]1CC[C@@H]([N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)C1 ZINC001254674404 806483482 /nfs/dbraw/zinc/48/34/82/806483482.db2.gz YNWKNCWRJGZRJF-BYNSBNAKSA-N 1 1 252.361 3.265 20 30 CGEDMO Cc1ccc(CC#N)c(NCC2(c3ncccc3F)CC2)[nH+]1 ZINC001162164139 806519494 /nfs/dbraw/zinc/51/94/94/806519494.db2.gz QCKMDITUJSJJOX-UHFFFAOYSA-N 1 1 296.349 3.134 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCN(Cc2ccccc2)C1 ZINC001255119270 806548180 /nfs/dbraw/zinc/54/81/80/806548180.db2.gz QIIGVUBMUGFEIH-OKYOBFRVSA-N 1 1 295.430 3.027 20 30 CGEDMO C[C@@H](CC#N)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255130743 806550783 /nfs/dbraw/zinc/55/07/83/806550783.db2.gz JGWRNQLSAGKZGU-LEUOFYLZSA-N 1 1 283.419 3.074 20 30 CGEDMO C[N@H+]1CCCC[C@H]1c1ccc(NC2(C#N)CCC2)nc1 ZINC001162309114 806552830 /nfs/dbraw/zinc/55/28/30/806552830.db2.gz AAQNXFVHNREFGH-AWEZNQCLSA-N 1 1 270.380 3.097 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1cccc(N2CCCCCC2=O)c1 ZINC001255161276 806560398 /nfs/dbraw/zinc/56/03/98/806560398.db2.gz XPCGKFNIHAAVSV-INIZCTEOSA-N 1 1 299.418 3.375 20 30 CGEDMO CC[C@@H](CC#N)[N@H+]1C[C@H]2CCC[C@@]2(COc2cccnc2)C1 ZINC001255169842 806564811 /nfs/dbraw/zinc/56/48/11/806564811.db2.gz KLUMULJDOLQSQO-RYRKJORJSA-N 1 1 299.418 3.255 20 30 CGEDMO CC[C@@H](CC#N)[N@H+](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001255179559 806571551 /nfs/dbraw/zinc/57/15/51/806571551.db2.gz QKQVSTIHOLSDJC-KBPBESRZSA-N 1 1 295.427 3.010 20 30 CGEDMO CC[C@@H](CC#N)[N@@H+](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001255179559 806571557 /nfs/dbraw/zinc/57/15/57/806571557.db2.gz QKQVSTIHOLSDJC-KBPBESRZSA-N 1 1 295.427 3.010 20 30 CGEDMO CC[C@@](C)(C#N)N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255393783 806632243 /nfs/dbraw/zinc/63/22/43/806632243.db2.gz RAKWJJWDWRAJSZ-MSOLQXFVSA-N 1 1 285.435 3.323 20 30 CGEDMO C[C@@H](CC(F)(F)F)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC001255657524 806695458 /nfs/dbraw/zinc/69/54/58/806695458.db2.gz IIIUINTVHKJHCJ-LBPRGKRZSA-N 1 1 297.324 3.021 20 30 CGEDMO C#CC[N@H+](Cc1ccc(F)cc1)Cc1cccc2c[nH]nc21 ZINC000092541571 798958783 /nfs/dbraw/zinc/95/87/83/798958783.db2.gz IXWNXRFHMQFMHL-UHFFFAOYSA-N 1 1 293.345 3.337 20 30 CGEDMO C[C@H]([NH2+]CC(C)(C)C#N)c1cccc(OC(F)F)c1 ZINC000122276857 798989905 /nfs/dbraw/zinc/98/99/05/798989905.db2.gz YZNSVEDPOXIWIG-JTQLQIEISA-N 1 1 268.307 3.488 20 30 CGEDMO C[C@H]([NH2+]CC(C)(C)C#N)c1ccc(OC(F)F)cc1 ZINC000122263325 798990333 /nfs/dbraw/zinc/99/03/33/798990333.db2.gz ZPIGNXHGSBNJSM-JTQLQIEISA-N 1 1 268.307 3.488 20 30 CGEDMO Cc1nn(C)c(Cl)c1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000128056930 799016958 /nfs/dbraw/zinc/01/69/58/799016958.db2.gz OTSHZTORUUWIFP-JTQLQIEISA-N 1 1 288.782 3.104 20 30 CGEDMO C#C[C@H](C)Nc1[nH+]cnc2c1ccn2Cc1ccc(F)cc1 ZINC001163161255 806710114 /nfs/dbraw/zinc/71/01/14/806710114.db2.gz WWNNSXLGMMUDDR-LBPRGKRZSA-N 1 1 294.333 3.052 20 30 CGEDMO N#Cc1cc(F)cc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000163627211 799083046 /nfs/dbraw/zinc/08/30/46/799083046.db2.gz NFBSATZCKNKJGU-LBPRGKRZSA-N 1 1 286.272 3.472 20 30 CGEDMO N#Cc1cc(F)cc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000163627211 799083052 /nfs/dbraw/zinc/08/30/52/799083052.db2.gz NFBSATZCKNKJGU-LBPRGKRZSA-N 1 1 286.272 3.472 20 30 CGEDMO CCCCCCCCCCCC[N@H+]1CCNC[C@@H](O)C1 ZINC000312418743 799227819 /nfs/dbraw/zinc/22/78/19/799227819.db2.gz KDJHFEQTFBYBMR-QGZVFWFLSA-N 1 1 284.488 3.173 20 30 CGEDMO CCCCCCCCCCCCN1CC[NH2+]C[C@@H](O)C1 ZINC000312418743 799227823 /nfs/dbraw/zinc/22/78/23/799227823.db2.gz KDJHFEQTFBYBMR-QGZVFWFLSA-N 1 1 284.488 3.173 20 30 CGEDMO CCCCCCCCCCCC[N@@H+]1C[C@H](CO)[C@H](O)C1 ZINC000317633930 799244603 /nfs/dbraw/zinc/24/46/03/799244603.db2.gz JGRPYADTDKYBJJ-IAGOWNOFSA-N 1 1 285.472 3.192 20 30 CGEDMO COc1cccc2c1OC[C@H]2Nc1ccc(CC#N)c(C)[nH+]1 ZINC001163228306 806730553 /nfs/dbraw/zinc/73/05/53/806730553.db2.gz DMFJRHFJZAMVES-CQSZACIVSA-N 1 1 295.342 3.010 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1cccc(Br)c1OC ZINC000389886549 799466055 /nfs/dbraw/zinc/46/60/55/799466055.db2.gz RWLNKKQPFGXMDD-UHFFFAOYSA-N 1 1 290.588 3.300 20 30 CGEDMO CC[C@H](CC#N)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398038981 799525765 /nfs/dbraw/zinc/52/57/65/799525765.db2.gz RAUIRGBXMFZUHX-NXHRZFHOSA-N 1 1 285.435 3.179 20 30 CGEDMO C[C@H]1C[C@H](NCC2(C#N)CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000405110763 799581772 /nfs/dbraw/zinc/58/17/72/799581772.db2.gz SFITUVASRRQGMO-WMZOPIPTSA-N 1 1 297.446 3.323 20 30 CGEDMO C[C@H]1C[C@H](NCC2(C#N)CCCC2)C[N@H+]1Cc1ccccc1 ZINC000405110763 799581775 /nfs/dbraw/zinc/58/17/75/799581775.db2.gz SFITUVASRRQGMO-WMZOPIPTSA-N 1 1 297.446 3.323 20 30 CGEDMO C[C@H](Cc1ccccc1F)[N@H+]1CCC[C@H](C#N)CC1 ZINC001255851329 806767781 /nfs/dbraw/zinc/76/77/81/806767781.db2.gz MFRRCPBQNZSKIE-KGLIPLIRSA-N 1 1 260.356 3.382 20 30 CGEDMO CC(C)(C)[N@H+]1CC[C@H](CNc2nc(Cl)c(C#N)s2)C1 ZINC000693003420 799805840 /nfs/dbraw/zinc/80/58/40/799805840.db2.gz DJLFPJIRNDRCHX-SECBINFHSA-N 1 1 298.843 3.200 20 30 CGEDMO C[C@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)c1cscn1 ZINC000697880640 799849921 /nfs/dbraw/zinc/84/99/21/799849921.db2.gz BFKZZMUBAZKPAV-RYUDHWBXSA-N 1 1 287.388 3.457 20 30 CGEDMO Cc1ccc(C[NH2+][C@H](C)c2nccs2)cc1C#N ZINC000701823292 799894660 /nfs/dbraw/zinc/89/46/60/799894660.db2.gz OJKLGOSTFXVEHE-LLVKDONJSA-N 1 1 257.362 3.174 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)C[C@H]1CCC2(CCC2)CO1 ZINC000716348321 800168669 /nfs/dbraw/zinc/16/86/69/800168669.db2.gz RKPFDJRHCBHNLI-OAHLLOKOSA-N 1 1 264.413 3.207 20 30 CGEDMO C=CCC1(O)CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000717459366 800202674 /nfs/dbraw/zinc/20/26/74/800202674.db2.gz GEQIAJYQLFYXSH-UHFFFAOYSA-N 1 1 290.794 3.115 20 30 CGEDMO CCC1(CC)CCC[N@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC000721241706 800283048 /nfs/dbraw/zinc/28/30/48/800283048.db2.gz ZBNOULNZQOBVCJ-INIZCTEOSA-N 1 1 272.392 3.246 20 30 CGEDMO C#CCC1(C(=O)N[C@@H](C)C[N@H+](C)CCCC)CCCCC1 ZINC000809235762 800423629 /nfs/dbraw/zinc/42/36/29/800423629.db2.gz OLKRSZKMKSKJTR-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C#Cc1ccc(C[N@@H+](C)Cc2ccc(F)cc2)cc1 ZINC000809542139 800443518 /nfs/dbraw/zinc/44/35/18/800443518.db2.gz USRVBYHKNJZDRD-UHFFFAOYSA-N 1 1 253.320 3.439 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872279962 800537327 /nfs/dbraw/zinc/53/73/27/800537327.db2.gz ICVQAKQIJOJVAF-ZFWWWQNUSA-N 1 1 250.386 3.102 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C)cc2)[C@@H]1C ZINC000994292621 800696065 /nfs/dbraw/zinc/69/60/65/800696065.db2.gz YJUWUEHLZPQRRK-RDJZCZTQSA-N 1 1 286.419 3.154 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)cc(Cl)c2)C1 ZINC001015273728 800698891 /nfs/dbraw/zinc/69/88/91/800698891.db2.gz CELXJJSJBCIWPP-OAHLLOKOSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001023580947 800713218 /nfs/dbraw/zinc/71/32/18/800713218.db2.gz ZWSDNRKDPIZFHI-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C=C(C)C ZINC001025190027 800747594 /nfs/dbraw/zinc/74/75/94/800747594.db2.gz UXUGXTWUBDHRCK-SJORKVTESA-N 1 1 290.451 3.374 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC1(C)CC1 ZINC001025250756 800752315 /nfs/dbraw/zinc/75/23/15/800752315.db2.gz DWTRWDPJXUFUSK-JKSUJKDBSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2=CCCC2)C1 ZINC001025376730 800759077 /nfs/dbraw/zinc/75/90/77/800759077.db2.gz ZZCVRTOHDRBTHG-UKRRQHHQSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc(C)cs2)C1 ZINC001025410413 800760936 /nfs/dbraw/zinc/76/09/36/800760936.db2.gz AKDDWADUAVUUSX-KGLIPLIRSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CCC=CCC2)C1 ZINC001025623327 800764247 /nfs/dbraw/zinc/76/42/47/800764247.db2.gz AYMFDNHLRRBTAM-WBVHZDCISA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)C2CCCCCC2)C1 ZINC001027332258 800791539 /nfs/dbraw/zinc/79/15/39/800791539.db2.gz PDPKXZFIUAABHL-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C[C@@H]2CC=CCC2)C1 ZINC001027527197 800799159 /nfs/dbraw/zinc/79/91/59/800799159.db2.gz AKKFOAOUNLRNFZ-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C2(C3CC3)CCC2)C1 ZINC001027509255 800799541 /nfs/dbraw/zinc/79/95/41/800799541.db2.gz VSPDUTWENCRMEX-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C[C@H]2CC=CCC2)C1 ZINC001027527196 800800209 /nfs/dbraw/zinc/80/02/09/800800209.db2.gz AKKFOAOUNLRNFZ-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)C2(C(C)C)CC2)C1 ZINC001027567619 800802901 /nfs/dbraw/zinc/80/29/01/800802901.db2.gz YNISGTVEUVEKKQ-CQSZACIVSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)C2(C(C)C)CC2)C1 ZINC001027567619 800802902 /nfs/dbraw/zinc/80/29/02/800802902.db2.gz YNISGTVEUVEKKQ-CQSZACIVSA-N 1 1 298.858 3.098 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(C3CC3)cc2)C1 ZINC001027690416 800811204 /nfs/dbraw/zinc/81/12/04/800811204.db2.gz GAWVJLCHEBQDLU-SFHVURJKSA-N 1 1 298.430 3.286 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(CCC)s1 ZINC001027909000 800825582 /nfs/dbraw/zinc/82/55/82/800825582.db2.gz HAJZIGUBHITZRP-CYBMUJFWSA-N 1 1 292.448 3.081 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1cscc1Cl ZINC001027950598 800826543 /nfs/dbraw/zinc/82/65/43/800826543.db2.gz DJWNXQIQXXQKPM-NSHDSACASA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)C1CCC(=C)CC1 ZINC001028117857 800832250 /nfs/dbraw/zinc/83/22/50/800832250.db2.gz ULUALYVCOAVXGB-KRWDZBQOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CC(=C)C)cc1 ZINC001028156127 800833428 /nfs/dbraw/zinc/83/34/28/800833428.db2.gz LKIRXEBHXKPOKN-QGZVFWFLSA-N 1 1 284.403 3.100 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C)cc(C)c1 ZINC001028283723 800840400 /nfs/dbraw/zinc/84/04/00/800840400.db2.gz OFTDVGLUGLZDOE-QGZVFWFLSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2cccc(C)c2o1 ZINC001028337435 800841640 /nfs/dbraw/zinc/84/16/40/800841640.db2.gz SAZMIJBNWSKCRJ-OAHLLOKOSA-N 1 1 298.386 3.121 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC(C)(C)C1 ZINC001028340197 800841843 /nfs/dbraw/zinc/84/18/43/800841843.db2.gz LIKGXMDOVOLFFF-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([C@@H](C)CC)cc1 ZINC001028336333 800842281 /nfs/dbraw/zinc/84/22/81/800842281.db2.gz ATMVQICFXOZGKU-YJBOKZPZSA-N 1 1 298.430 3.028 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1coc2ccccc12 ZINC001028350195 800843870 /nfs/dbraw/zinc/84/38/70/800843870.db2.gz ZVXNSXOTTMTYTR-CQSZACIVSA-N 1 1 298.386 3.203 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001029009036 800857818 /nfs/dbraw/zinc/85/78/18/800857818.db2.gz MAWGKVOWBGLWON-HOTGVXAUSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](CNC(=O)c2cccc(C3CC3)c2)C1 ZINC001029009716 800858459 /nfs/dbraw/zinc/85/84/59/800858459.db2.gz VCXDRGPEENGXLF-HNNXBMFYSA-N 1 1 298.430 3.192 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccoc2C(C)C)C1 ZINC001029013105 800858533 /nfs/dbraw/zinc/85/85/33/800858533.db2.gz SYKAIVLNVBPRFS-AWEZNQCLSA-N 1 1 290.407 3.031 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](F)CC ZINC001029454013 800868579 /nfs/dbraw/zinc/86/85/79/800868579.db2.gz PRQUHAAWTMMFMU-MPTYRVRUSA-N 1 1 296.430 3.012 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](F)CC ZINC001029454013 800868585 /nfs/dbraw/zinc/86/85/85/800868585.db2.gz PRQUHAAWTMMFMU-MPTYRVRUSA-N 1 1 296.430 3.012 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)c2ccc(C3CCC3)cc2)C1 ZINC001030405166 800891863 /nfs/dbraw/zinc/89/18/63/800891863.db2.gz OQDVTPXSHXVLKC-UHFFFAOYSA-N 1 1 298.430 3.334 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CCC)cc1 ZINC001032594930 800932458 /nfs/dbraw/zinc/93/24/58/800932458.db2.gz YLWOGJLYVFFGOV-ROUUACIJSA-N 1 1 298.430 3.114 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Cl)cc2)C1 ZINC001033603207 800970534 /nfs/dbraw/zinc/97/05/34/800970534.db2.gz IPNOIPAZVROTFO-HNNXBMFYSA-N 1 1 292.810 3.062 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(C)c2C)C1 ZINC001033630529 800971893 /nfs/dbraw/zinc/97/18/93/800971893.db2.gz IAJAIONAPANHFA-INIZCTEOSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2coc(C)c2)C1 ZINC001033808604 800984308 /nfs/dbraw/zinc/98/43/08/800984308.db2.gz WJJOGDCYGOPUDF-MRXNPFEDSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2sccc2C)C1 ZINC001034073505 801000799 /nfs/dbraw/zinc/00/07/99/801000799.db2.gz JWWHVOWFVRMYJL-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2sccc2C)C1 ZINC001034082146 801002784 /nfs/dbraw/zinc/00/27/84/801002784.db2.gz CNOYAFVDTCAJQV-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2ccccc2C)C1 ZINC001034089632 801004270 /nfs/dbraw/zinc/00/42/70/801004270.db2.gz HHRZVTWDQZRFFP-INIZCTEOSA-N 1 1 286.419 3.155 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001034158336 801007113 /nfs/dbraw/zinc/00/71/13/801007113.db2.gz ZWFTUGXZGNQUJR-CQSZACIVSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)C2=CCCCCC2)C1 ZINC001034176485 801009391 /nfs/dbraw/zinc/00/93/91/801009391.db2.gz VCMUIMFKXHAXET-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2ccoc2Cl)C1 ZINC001034180291 801009445 /nfs/dbraw/zinc/00/94/45/801009445.db2.gz GUDHZLGHSGOOLX-LBPRGKRZSA-N 1 1 296.798 3.093 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001034163154 801009526 /nfs/dbraw/zinc/00/95/26/801009526.db2.gz ZONFBTNDFXSTNB-HNNXBMFYSA-N 1 1 294.414 3.331 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)C(C)=C2CCC2)C1 ZINC001034198627 801010184 /nfs/dbraw/zinc/01/01/84/801010184.db2.gz NQVKFVSFHIZZLH-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2sccc2Cl)C1 ZINC001034227224 801013243 /nfs/dbraw/zinc/01/32/43/801013243.db2.gz XZLOUADJLCJVTR-NSHDSACASA-N 1 1 298.839 3.172 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@@H](NC(=O)C23CCC(CC2)C3)C1 ZINC001034278820 801015102 /nfs/dbraw/zinc/01/51/02/801015102.db2.gz ZJMKXIRVPAKAES-UPTPFMHGSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(CC)s2)C1 ZINC001034292587 801016375 /nfs/dbraw/zinc/01/63/75/801016375.db2.gz GURUUCBSWYPAGF-ZDUSSCGKSA-N 1 1 292.448 3.081 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@H](NC(=O)C[C@H]2CC=CCC2)C1 ZINC001034353291 801020593 /nfs/dbraw/zinc/02/05/93/801020593.db2.gz WGNDIULLTRKOLV-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001034356409 801021298 /nfs/dbraw/zinc/02/12/98/801021298.db2.gz XGXATGPDXHAIMZ-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC001034359963 801021861 /nfs/dbraw/zinc/02/18/61/801021861.db2.gz DVDRWQAFABHVJV-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)C2(C)CCCCC2)C1 ZINC001034386935 801023252 /nfs/dbraw/zinc/02/32/52/801023252.db2.gz VWULNMBQZFONBF-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@@H+](CCC3CC3)C2)C1 ZINC001034388954 801023334 /nfs/dbraw/zinc/02/33/34/801023334.db2.gz KYUOINROAGQXNF-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@H+](C[C@H](F)CC)C2)C1 ZINC001034388621 801023727 /nfs/dbraw/zinc/02/37/27/801023727.db2.gz HIJHYOLGKPLFKO-HUUCEWRRSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2cc(Cl)cs2)C1 ZINC001034433901 801027255 /nfs/dbraw/zinc/02/72/55/801027255.db2.gz IMGYWYALKHXQQU-LBPRGKRZSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001034543667 801031733 /nfs/dbraw/zinc/03/17/33/801031733.db2.gz IQEHSOZHPVPOOK-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CCCC[C@@H](NC(=O)c2coc3ccccc23)C1 ZINC001034549612 801033025 /nfs/dbraw/zinc/03/30/25/801033025.db2.gz LNXCIBSPIOKXHY-CQSZACIVSA-N 1 1 298.386 3.203 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC2(CC[N@H+](CCCC)C2)CC1 ZINC001035210870 801055089 /nfs/dbraw/zinc/05/50/89/801055089.db2.gz DQGMERCBBRVMDQ-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC2(CC[N@H+](CCC)C2)CC1 ZINC001035227509 801057210 /nfs/dbraw/zinc/05/72/10/801057210.db2.gz XJSFJILXMVCJAN-KRWDZBQOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C)CC[C@H]21 ZINC001036632681 801084961 /nfs/dbraw/zinc/08/49/61/801084961.db2.gz QKZOZFCMXOCZNL-SJLPKXTDSA-N 1 1 298.430 3.108 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2CN(C(=O)CC3CCCCC3)CC[C@H]21 ZINC001036636968 801085264 /nfs/dbraw/zinc/08/52/64/801085264.db2.gz HOTVDEXKUYZKCC-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)C3(C)CCCC3)CC[C@H]21 ZINC001036782290 801089193 /nfs/dbraw/zinc/08/91/93/801089193.db2.gz HQVSOWQIOKUGAF-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)CC3(C)CC3)CC[C@@H]21 ZINC001036776600 801090354 /nfs/dbraw/zinc/09/03/54/801090354.db2.gz NGMHXSQQEVSDHM-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(C)c3C)CC[C@@H]21 ZINC001036883391 801093160 /nfs/dbraw/zinc/09/31/60/801093160.db2.gz CJJQTBASBPGERL-AEFFLSMTSA-N 1 1 298.430 3.026 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C(F)F)cc1 ZINC001038828293 801134301 /nfs/dbraw/zinc/13/43/01/801134301.db2.gz XWISSYXPJHOMBL-AWEZNQCLSA-N 1 1 294.345 3.004 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)c1cc(Cl)cs1 ZINC001038776765 801134660 /nfs/dbraw/zinc/13/46/60/801134660.db2.gz PNTFOVHVYHAHPT-LBPRGKRZSA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1cccc(C(F)F)c1 ZINC001038931347 801135810 /nfs/dbraw/zinc/13/58/10/801135810.db2.gz UFRYBBSMAXOYOK-AWEZNQCLSA-N 1 1 294.345 3.004 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1cccc(C(F)F)c1 ZINC001038931347 801135814 /nfs/dbraw/zinc/13/58/14/801135814.db2.gz UFRYBBSMAXOYOK-AWEZNQCLSA-N 1 1 294.345 3.004 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]1CNC(=O)c1ccccc1C1CCC1 ZINC001038967446 801137238 /nfs/dbraw/zinc/13/72/38/801137238.db2.gz IQVWWFOJDFPTEM-INIZCTEOSA-N 1 1 298.430 3.334 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1cc2c(cccc2C)o1 ZINC001039065093 801145250 /nfs/dbraw/zinc/14/52/50/801145250.db2.gz YBLXWVDIEVAYJR-AWEZNQCLSA-N 1 1 298.386 3.121 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C(CC)CC)CC2)C1 ZINC001039107011 801147298 /nfs/dbraw/zinc/14/72/98/801147298.db2.gz CHQRQQPZYUDDHS-QGZVFWFLSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C(C)(C)F)C1 ZINC001039178603 801150867 /nfs/dbraw/zinc/15/08/67/801150867.db2.gz SWFZKAGHIOGTBK-HUUCEWRRSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C(C)(C)F)C1 ZINC001039179047 801151774 /nfs/dbraw/zinc/15/17/74/801151774.db2.gz XUPSCPSACRHRMF-LSDHHAIUSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC2CCC2)C1 ZINC001039195313 801152801 /nfs/dbraw/zinc/15/28/01/801152801.db2.gz FUSOBYILJCKJAI-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC(C)(C)C)C1 ZINC001039194266 801153057 /nfs/dbraw/zinc/15/30/57/801153057.db2.gz YBSLMHQBZZKEIU-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@](C)(C=C)CC ZINC001039429979 801162443 /nfs/dbraw/zinc/16/24/43/801162443.db2.gz KAJRZOGXDLRSOA-SOLBZPMBSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCCC)C2 ZINC001040331140 801175388 /nfs/dbraw/zinc/17/53/88/801175388.db2.gz GMXTWSXZYNCMBQ-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@]2(C1)CCC[N@H+](C(C)C)C2 ZINC001040329615 801175786 /nfs/dbraw/zinc/17/57/86/801175786.db2.gz WDLPGMLNFGFJAX-GOSISDBHSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CCC)C3)C1 ZINC001040385646 801176843 /nfs/dbraw/zinc/17/68/43/801176843.db2.gz WQEFWBZUJVEEBO-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C)C(C)C)C2)C1 ZINC001040426810 801178760 /nfs/dbraw/zinc/17/87/60/801178760.db2.gz YOPVLEPYTMWMTR-AEFFLSMTSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CC[C@]2(CC[N@H+](CCC)C2)C1 ZINC001041319714 801187774 /nfs/dbraw/zinc/18/77/74/801187774.db2.gz AFAKKALVUUVGMS-INIZCTEOSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)CCC3CCC3)C2)C1 ZINC001041181569 801187970 /nfs/dbraw/zinc/18/79/70/801187970.db2.gz MTYPJODUYIAZMG-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@]2(CC[N@H+](CCCC)C2)C1 ZINC001041638074 801192524 /nfs/dbraw/zinc/19/25/24/801192524.db2.gz HONJGZWMBQFMQU-ROUUACIJSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CCN(C(=O)C3CCCCCC3)C[C@H]21 ZINC001041974183 801199271 /nfs/dbraw/zinc/19/92/71/801199271.db2.gz ZPCSRQOKNZHLEI-DOTOQJQBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C(F)=C(C)C)C[C@@H]21 ZINC001042004687 801200332 /nfs/dbraw/zinc/20/03/32/801200332.db2.gz CQPPVYFOAWUDFV-CABCVRRESA-N 1 1 294.414 3.139 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)C3(C)CCCC3)C[C@H]21 ZINC001042172078 801201395 /nfs/dbraw/zinc/20/13/95/801201395.db2.gz BYYTZDFBVFNTGQ-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC[C@@H]3CC[N@H+](CCCC)[C@@H]3C2)C1 ZINC001042224957 801203301 /nfs/dbraw/zinc/20/33/01/801203301.db2.gz TXCFMVVOKPPXPD-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[NH+]1CC(N(C)C(=O)c2scc(C)c2Cl)C1 ZINC001042778331 801211634 /nfs/dbraw/zinc/21/16/34/801211634.db2.gz QVJHHRJJRUCSAU-UHFFFAOYSA-N 1 1 298.839 3.042 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(=C)C ZINC001045840940 801288665 /nfs/dbraw/zinc/28/86/65/801288665.db2.gz YCMAYMFAPGWLPG-RYRKJORJSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)c2ccc3occc3c2)C1 ZINC001046335519 801307769 /nfs/dbraw/zinc/30/77/69/801307769.db2.gz BGLZBSOSQPKJIO-SFHVURJKSA-N 1 1 298.386 3.203 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(CC)s2)C1 ZINC001046454226 801311655 /nfs/dbraw/zinc/31/16/55/801311655.db2.gz GEIPGYKXDOGDHC-MRXNPFEDSA-N 1 1 292.448 3.081 20 30 CGEDMO C=C1CCC(C(=O)N[C@@]2(C)CC[N@H+](C/C=C\Cl)C2)CC1 ZINC001046593827 801316669 /nfs/dbraw/zinc/31/66/69/801316669.db2.gz AUBOPBDNRBQTHD-QBIOEUEZSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C1CCC(C(=O)N[C@@]2(C)CC[N@@H+](C/C=C\Cl)C2)CC1 ZINC001046593827 801316677 /nfs/dbraw/zinc/31/66/77/801316677.db2.gz AUBOPBDNRBQTHD-QBIOEUEZSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C1CCC(C(=O)N[C@]2(C)CC[N@H+](C[C@H](C)CC)C2)CC1 ZINC001046595193 801317566 /nfs/dbraw/zinc/31/75/66/801317566.db2.gz XZBVGNINYYALLK-RDTXWAMCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC1CCCCC1 ZINC001049305818 801362835 /nfs/dbraw/zinc/36/28/35/801362835.db2.gz FUQGMAQNCLOQFE-IRXDYDNUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)C(=C)C ZINC001049635782 801380648 /nfs/dbraw/zinc/38/06/48/801380648.db2.gz WFKKJWUASKCYQO-HZPDHXFCSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCC ZINC001049639902 801381072 /nfs/dbraw/zinc/38/10/72/801381072.db2.gz RCRQEQGCBRGHBO-CVEARBPZSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC ZINC001049696812 801383982 /nfs/dbraw/zinc/38/39/82/801383982.db2.gz AIILPMMKJINRCL-BFYDXBDKSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC1CC(C)(C)C1 ZINC001049669167 801385059 /nfs/dbraw/zinc/38/50/59/801385059.db2.gz RGCXDRMFIKCKSN-CVEARBPZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC(C)C ZINC001049699483 801385443 /nfs/dbraw/zinc/38/54/43/801385443.db2.gz HZQQVIDFGAGWNB-XYJFISCASA-N 1 1 292.467 3.310 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(CC)(CC)CC ZINC001049815665 801389537 /nfs/dbraw/zinc/38/95/37/801389537.db2.gz QIBYBKNLBUZZOS-HOTGVXAUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(C)cc1 ZINC001049860435 801390417 /nfs/dbraw/zinc/39/04/17/801390417.db2.gz BAKQKSYWAXLONN-MSOLQXFVSA-N 1 1 298.430 3.250 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cc(C)cc(C)c1 ZINC001049863199 801391695 /nfs/dbraw/zinc/39/16/95/801391695.db2.gz LSUSDIKXXNKXGV-ZWKOTPCHSA-N 1 1 298.430 3.168 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C)s2)CC1 ZINC001052165753 801421988 /nfs/dbraw/zinc/42/19/88/801421988.db2.gz RBGBSKYZTMKFRW-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CC2CCCC2)CC1 ZINC001052165013 801422642 /nfs/dbraw/zinc/42/26/42/801422642.db2.gz FQBCYMMZMXUKBG-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C#CC(C)(C)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256523551 806909392 /nfs/dbraw/zinc/90/93/92/806909392.db2.gz PVVHOEVZDPOKCD-NVXWUHKLSA-N 1 1 270.420 3.041 20 30 CGEDMO C#CC(C)(C)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256523551 806909396 /nfs/dbraw/zinc/90/93/96/806909396.db2.gz PVVHOEVZDPOKCD-NVXWUHKLSA-N 1 1 270.420 3.041 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccoc2CC)CC1 ZINC001052346670 801430298 /nfs/dbraw/zinc/43/02/98/801430298.db2.gz BJNPAEKVICTOSQ-AWEZNQCLSA-N 1 1 290.407 3.002 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)CC1 ZINC001052392410 801431954 /nfs/dbraw/zinc/43/19/54/801431954.db2.gz XDUHTZZMFXEZAR-ARFHVFGLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)C[C@H]2CC=CCC2)CC1 ZINC001052628381 801441801 /nfs/dbraw/zinc/44/18/01/801441801.db2.gz XYHNEQUILVVEMI-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2(C)CC=CC2)CC1 ZINC001052682817 801446989 /nfs/dbraw/zinc/44/69/89/801446989.db2.gz ZQQFVOHCZDXGAB-AWEZNQCLSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2occc2Cl)CC1 ZINC001052686660 801447498 /nfs/dbraw/zinc/44/74/98/801447498.db2.gz MFTJSXCMRNFMFD-LBPRGKRZSA-N 1 1 296.798 3.093 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)C2CCC=CCC2)CC1 ZINC001052944211 801458475 /nfs/dbraw/zinc/45/84/75/801458475.db2.gz UELXLALVBCFPCU-QGZVFWFLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C2CC(C(C)(C)C)C2)CC1 ZINC001052969912 801460150 /nfs/dbraw/zinc/46/01/50/801460150.db2.gz XHLCINNEQFGURX-UYSNPLJNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC1CC1)C2 ZINC001054071307 801469959 /nfs/dbraw/zinc/46/99/59/801469959.db2.gz YWTNVILGZWLLOC-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(C)CCC1)C2 ZINC001054178901 801476844 /nfs/dbraw/zinc/47/68/44/801476844.db2.gz MMKSCDHFTNBFDY-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@@]3(CC[N@H+](CCC)C3)C2)C1 ZINC001054193511 801479632 /nfs/dbraw/zinc/47/96/32/801479632.db2.gz YMBAXHIRRKUUFH-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C[C@@H]1C[C@@H](N2CCCC[C@@H]2C#N)CC[N@H+]1Cc1ccccc1 ZINC001256554230 806915493 /nfs/dbraw/zinc/91/54/93/806915493.db2.gz OXVNNIDLVMILOV-NZSAHSFTSA-N 1 1 297.446 3.418 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2ccccc2C)CC[C@@H]1C ZINC001071319362 801528079 /nfs/dbraw/zinc/52/80/79/801528079.db2.gz NKPDOUHRUDYKGD-JKSUJKDBSA-N 1 1 286.419 3.154 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C=C2CCCCC2)CC[C@@H]1C ZINC001071373619 801532712 /nfs/dbraw/zinc/53/27/12/801532712.db2.gz MBKPRGBQPNUZDV-RDJZCZTQSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccoc2Cl)CC[C@H]1C ZINC001071453827 801535995 /nfs/dbraw/zinc/53/59/95/801535995.db2.gz AIKVIGUCQARXBE-NEPJUHHUSA-N 1 1 296.798 3.092 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C2=CCCCCC2)CC[C@@H]1C ZINC001071457617 801536105 /nfs/dbraw/zinc/53/61/05/801536105.db2.gz KHQDYGZCTNYLGL-HOCLYGCPSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2ccc(CC)s2)CC[C@@H]1C ZINC001071658364 801544395 /nfs/dbraw/zinc/54/43/95/801544395.db2.gz DUDVHKYOKVZYLK-STQMWFEESA-N 1 1 292.448 3.079 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)c2occc2CC)CC[C@@H]1C ZINC001071800131 801552564 /nfs/dbraw/zinc/55/25/64/801552564.db2.gz RPDFSRQSEOXJNT-DZGCQCFKSA-N 1 1 290.407 3.001 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)C2CCC=CCC2)CC[C@H]1C ZINC001072079682 801563570 /nfs/dbraw/zinc/56/35/70/801563570.db2.gz QWZXORPHULDTLV-NVXWUHKLSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C=C)cc3)[C@@H]2C1 ZINC001076277247 801615618 /nfs/dbraw/zinc/61/56/18/801615618.db2.gz GLSCOUVDPQDLLZ-ZWKOTPCHSA-N 1 1 296.414 3.052 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC3(C)CCCC3)[C@@H]2C1 ZINC001084323181 801668242 /nfs/dbraw/zinc/66/82/42/801668242.db2.gz GWOHQEDJACAQEN-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1=CCCCCC1 ZINC001085563977 801694082 /nfs/dbraw/zinc/69/40/82/801694082.db2.gz AUYBRBHHJKYHMM-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2C[C@H](C)CC)CC1 ZINC001085801211 801705517 /nfs/dbraw/zinc/70/55/17/801705517.db2.gz MHQXHHAWBYYEOS-RHSMWYFYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1C1(C)CC1 ZINC001085815574 801707988 /nfs/dbraw/zinc/70/79/88/801707988.db2.gz YBCYIVDMUMIJFH-HNNXBMFYSA-N 1 1 298.430 3.070 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1C1(C)CC1 ZINC001085815574 801707994 /nfs/dbraw/zinc/70/79/94/801707994.db2.gz YBCYIVDMUMIJFH-HNNXBMFYSA-N 1 1 298.430 3.070 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1csc(C)c1 ZINC001085875343 801709553 /nfs/dbraw/zinc/70/95/53/801709553.db2.gz YIJFHZINWDWMAX-OAHLLOKOSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC12CCCC2 ZINC001085909440 801709850 /nfs/dbraw/zinc/70/98/50/801709850.db2.gz JQVXPGLDOHCECQ-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(C2CCC2)c1 ZINC001085925787 801710401 /nfs/dbraw/zinc/71/04/01/801710401.db2.gz FQEDMLAWHAQHJN-GOSISDBHSA-N 1 1 298.430 3.286 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(C2CCC2)c1 ZINC001085925787 801710412 /nfs/dbraw/zinc/71/04/12/801710412.db2.gz FQEDMLAWHAQHJN-GOSISDBHSA-N 1 1 298.430 3.286 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2CC3(CC3)C2)[C@H]1CC ZINC001087719870 801766849 /nfs/dbraw/zinc/76/68/49/801766849.db2.gz RNWPWAMDGWYMSM-JKSUJKDBSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC23CCCC3)[C@H]1CC ZINC001087785359 801769097 /nfs/dbraw/zinc/76/90/97/801769097.db2.gz DGMGJTVZEMQESX-HRCADAONSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C=C2CCCCC2)[C@H]1C ZINC001088486154 801796983 /nfs/dbraw/zinc/79/69/83/801796983.db2.gz VKGLQNNFUMNKLI-ZBFHGGJFSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)CC=CCC2)[C@H]1C ZINC001088588876 801802254 /nfs/dbraw/zinc/80/22/54/801802254.db2.gz FFAAPZTWFQZIQT-RYRKJORJSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2)[C@H]1C ZINC001088995150 801815255 /nfs/dbraw/zinc/81/52/55/801815255.db2.gz BOOSJGWKRUNBTA-DOMZBBRYSA-N 1 1 292.810 3.109 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cc3c(cccc3C)o2)[C@H]1C ZINC001089066846 801819733 /nfs/dbraw/zinc/81/97/33/801819733.db2.gz CVYRKHSGLYUNGC-HIFRSBDPSA-N 1 1 298.386 3.120 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@]2(C)C=CCC2)CC(C)(C)C1 ZINC001089466271 801840296 /nfs/dbraw/zinc/84/02/96/801840296.db2.gz CCSSWVMMZNIJMR-CRAIPNDOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)c3cccc(C)c3)CCC[C@@H]12 ZINC001094352403 801871902 /nfs/dbraw/zinc/87/19/02/801871902.db2.gz WBCQTRCBNUPAME-IEBWSBKVSA-N 1 1 298.430 3.155 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1C=CCC1)C2 ZINC001095159001 801881366 /nfs/dbraw/zinc/88/13/66/801881366.db2.gz JFAURQSCTCQGQA-YVSFHVDLSA-N 1 1 288.435 3.030 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C)CC=CC1)C2 ZINC001095969218 801887186 /nfs/dbraw/zinc/88/71/86/801887186.db2.gz JSMISIQOOADAPJ-PMPSAXMXSA-N 1 1 288.435 3.030 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C)c1C)C2 ZINC001096469150 801890744 /nfs/dbraw/zinc/89/07/44/801890744.db2.gz AGRSVDRAZNZDED-NJAFHUGGSA-N 1 1 298.430 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CCCC1)C2 ZINC001096751763 801894298 /nfs/dbraw/zinc/89/42/98/801894298.db2.gz JCTMPONKHQQHEH-ZACQAIPSSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1=CCCCCC1)C2 ZINC001097000274 801897054 /nfs/dbraw/zinc/89/70/54/801897054.db2.gz IFVZUXJQHKFUKW-ZACQAIPSSA-N 1 1 288.435 3.175 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)ccc1C)C2 ZINC001098279804 801909831 /nfs/dbraw/zinc/90/98/31/801909831.db2.gz VQSCDYGOJUQZBK-NXHRZFHOSA-N 1 1 298.430 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCC ZINC001098909895 801920922 /nfs/dbraw/zinc/92/09/22/801920922.db2.gz GBZJNOXBZVWNIP-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCCC ZINC001098909964 801921116 /nfs/dbraw/zinc/92/11/16/801921116.db2.gz HUJRNCXVZPIZCP-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)C1CC1 ZINC001099001743 801925182 /nfs/dbraw/zinc/92/51/82/801925182.db2.gz WHSBOAFMTQLEQK-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCC ZINC001099098538 801927615 /nfs/dbraw/zinc/92/76/15/801927615.db2.gz RCCBYDXBKOWNIE-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](F)CC ZINC001099183827 801931445 /nfs/dbraw/zinc/93/14/45/801931445.db2.gz YLTMZDSXVNCJEG-HUUCEWRRSA-N 1 1 298.446 3.308 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(C)=O ZINC001099372111 801937004 /nfs/dbraw/zinc/93/70/04/801937004.db2.gz KFTAZSTUWWPLJQ-MHORFTMASA-N 1 1 292.467 3.146 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C)CCCC)C[C@]2(C)C1 ZINC001101221624 801976681 /nfs/dbraw/zinc/97/66/81/801976681.db2.gz YGBYKLAMYCEXIT-NUJGCVRESA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C)CC(C)C)C[C@]2(C)C1 ZINC001101407039 801976969 /nfs/dbraw/zinc/97/69/69/801976969.db2.gz OBUWYBDLLRORTE-JZXOWHBKSA-N 1 1 292.467 3.025 20 30 CGEDMO CCCCCCC[N@@H+]1C[C@@H](CNC(=O)CC)[C@H](C)C1 ZINC001101664841 801985615 /nfs/dbraw/zinc/98/56/15/801985615.db2.gz UISXHUDRWKLPDZ-HUUCEWRRSA-N 1 1 268.445 3.051 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)C(CC)CC)[C@H](C)C1 ZINC001101745400 801990179 /nfs/dbraw/zinc/99/01/79/801990179.db2.gz LAKBAKSGPUYMNO-BFYDXBDKSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](CNC(=O)C(C)=C2CCCC2)[C@H](C)C1 ZINC001101868534 801993772 /nfs/dbraw/zinc/99/37/72/801993772.db2.gz BOSYYIFIAYVDDG-RHSMWYFYSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)/C(C)=C/C)[C@H](C)C1 ZINC001101863843 801994186 /nfs/dbraw/zinc/99/41/86/801994186.db2.gz NDNDSZIURAHWOO-LWNNDPPBSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)CCCC)[C@H](C)C1 ZINC001101933443 801995766 /nfs/dbraw/zinc/99/57/66/801995766.db2.gz LKNVPFQHXUHIPZ-BRWVUGGUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC[N@H+]1C[C@@H](CNC(=O)CC2(C)CCCCC2)[C@H](C)C1 ZINC001102141896 801999850 /nfs/dbraw/zinc/99/98/50/801999850.db2.gz ORYCLWYGCINXCD-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C ZINC001102410168 802007326 /nfs/dbraw/zinc/00/73/26/802007326.db2.gz NXGJQEVLGFBPEF-GDBMZVCRSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1C ZINC001102407622 802007609 /nfs/dbraw/zinc/00/76/09/802007609.db2.gz FQRGQTSUSFHSMT-RTIZMKJZSA-N 1 1 298.858 3.025 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)C2(CC)CCCC2)[C@H](C)C1 ZINC001102493036 802011621 /nfs/dbraw/zinc/01/16/21/802011621.db2.gz SSUBSUJYEFVCSM-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(C)=O)C1 ZINC001102628655 802013471 /nfs/dbraw/zinc/01/34/71/802013471.db2.gz DXXGEWHWDFVIII-GDBMZVCRSA-N 1 1 268.445 3.051 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC(C)C)C1 ZINC001102643023 802014677 /nfs/dbraw/zinc/01/46/77/802014677.db2.gz BZMCYSCNDARIFZ-HZPDHXFCSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)CC)C1 ZINC001102913477 802023431 /nfs/dbraw/zinc/02/34/31/802023431.db2.gz MZIJQSUGEYRQAQ-ARFHVFGLSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(CC)(CC)CC)C1 ZINC001103579197 802037986 /nfs/dbraw/zinc/03/79/86/802037986.db2.gz UDPQVRJMQBNSLF-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(CNC(=O)C3(C)CCC3)CCC[C@@H]12 ZINC001107502143 802090589 /nfs/dbraw/zinc/09/05/89/802090589.db2.gz DNFBGKNTIROCAG-CRAIPNDOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1=CCCCC1 ZINC001109046413 802106093 /nfs/dbraw/zinc/10/60/93/802106093.db2.gz PFCRLPOONWXZET-IKGGRYGDSA-N 1 1 288.435 3.175 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C)CCCC1)C2 ZINC001109572310 802116847 /nfs/dbraw/zinc/11/68/47/802116847.db2.gz IXQGLCJAYFIRSK-PMPSAXMXSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(=C)C ZINC001109632969 802120736 /nfs/dbraw/zinc/12/07/36/802120736.db2.gz JOVOZIUBWBTVAK-YVSFHVDLSA-N 1 1 290.451 3.276 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(=C)C ZINC001109632968 802121493 /nfs/dbraw/zinc/12/14/93/802121493.db2.gz JOVOZIUBWBTVAK-NCOADZHNSA-N 1 1 290.451 3.276 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC ZINC001109678881 802123128 /nfs/dbraw/zinc/12/31/28/802123128.db2.gz KZCRYYKFALWWTM-WBTNSWJXSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)/C=C\C1CC1)C2 ZINC001110427323 802139826 /nfs/dbraw/zinc/13/98/26/802139826.db2.gz PUWIJIKWZVSKSN-CZKYDCLOSA-N 1 1 288.435 3.029 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC/C=C\CC ZINC001110898465 802149013 /nfs/dbraw/zinc/14/90/13/802149013.db2.gz GTTGUUNKBCLLTG-OJZIMDSRSA-N 1 1 290.451 3.276 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)CC(=C)C)C2 ZINC001110934128 802150083 /nfs/dbraw/zinc/15/00/83/802150083.db2.gz ZBPILWWSBJXCBN-VQHPVUNQSA-N 1 1 290.451 3.276 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)CC1CCCC1)C2 ZINC001111095752 802155319 /nfs/dbraw/zinc/15/53/19/802155319.db2.gz VTOKTWIYOXFYEY-DZUCGIPZSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)CC(C)C)C2 ZINC001111192581 802156133 /nfs/dbraw/zinc/15/61/33/802156133.db2.gz PEKTXDDBCQZCFE-VQHPVUNQSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CCC2)C1 ZINC001111556548 802160926 /nfs/dbraw/zinc/16/09/26/802160926.db2.gz LPCAYPJAVZIJLV-ZVZYQTTQSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC(C)C)C1 ZINC001111572401 802163485 /nfs/dbraw/zinc/16/34/85/802163485.db2.gz LCPSXBJZNSSXFC-BQFCYCMXSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)C(C)C)C1 ZINC001111654056 802165390 /nfs/dbraw/zinc/16/53/90/802165390.db2.gz GEDSDGYURRLNMP-BQFCYCMXSA-N 1 1 292.467 3.215 20 30 CGEDMO CCCCCCC[NH+]1CCN(C(=O)c2cocc2C)CC1 ZINC001113203370 802205438 /nfs/dbraw/zinc/20/54/38/802205438.db2.gz HDLOASXJUWRJDG-UHFFFAOYSA-N 1 1 292.423 3.316 20 30 CGEDMO C=C[C@@H](C)[C@H](C)C(=O)N1CC[NH+](CC2=CCCCC2)CC1 ZINC001113226641 802207313 /nfs/dbraw/zinc/20/73/13/802207313.db2.gz IWRLMXGDXMNHPL-CVEARBPZSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)CC/C=C/c2ccccc2)CC1 ZINC001113339156 802216020 /nfs/dbraw/zinc/21/60/20/802216020.db2.gz OUUXEQCJDHSTQJ-UXBLZVDNSA-N 1 1 298.430 3.200 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)CCCCCC ZINC001114662578 802242357 /nfs/dbraw/zinc/24/23/57/802242357.db2.gz MGPKXUVUHNSZOJ-NCOADZHNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@](C)(CC)CCCCC ZINC001115318568 802256410 /nfs/dbraw/zinc/25/64/10/802256410.db2.gz VKLNKXUYDTYSML-LHHMISFZSA-N 1 1 292.467 3.215 20 30 CGEDMO C#CC[N@H+](Cc1ccc(F)c2cccnc12)CC1CC1 ZINC001116448217 802354526 /nfs/dbraw/zinc/35/45/26/802354526.db2.gz NKOLMRKLDHBFRY-UHFFFAOYSA-N 1 1 268.335 3.219 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC001116542691 802376468 /nfs/dbraw/zinc/37/64/68/802376468.db2.gz VEGOMKBGGHMRME-LBPRGKRZSA-N 1 1 290.388 3.180 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC001116542691 802376470 /nfs/dbraw/zinc/37/64/70/802376470.db2.gz VEGOMKBGGHMRME-LBPRGKRZSA-N 1 1 290.388 3.180 20 30 CGEDMO C=CCC[N@H+](C)Cc1c(Cl)cccc1N(C)C ZINC001116720971 802401159 /nfs/dbraw/zinc/40/11/59/802401159.db2.gz MPMJZVXBIUNVEW-UHFFFAOYSA-N 1 1 252.789 3.414 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)CC1CC1 ZINC001118495101 802576870 /nfs/dbraw/zinc/57/68/70/802576870.db2.gz QHFVOGZATAVIEU-UHFFFAOYSA-N 1 1 292.304 3.422 20 30 CGEDMO C=CC[C@H]([NH2+][C@H](C)[C@H]1CC2CCC1CC2)C(=O)OCC ZINC001181454281 810053641 /nfs/dbraw/zinc/05/36/41/810053641.db2.gz DDAYFRISEUUMKG-WCMAUXFHSA-N 1 1 279.424 3.299 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCC)C1 ZINC001120289873 802738116 /nfs/dbraw/zinc/73/81/16/802738116.db2.gz IIHBEOVWHHDIAT-SJORKVTESA-N 1 1 292.467 3.456 20 30 CGEDMO CCC1CCC([N@H+]2CCC3SC(=O)C=C3C2)CC1 ZINC001256871294 806996419 /nfs/dbraw/zinc/99/64/19/806996419.db2.gz MFPYHUWKBDKZNY-UXUKBGGZSA-N 1 1 265.422 3.229 20 30 CGEDMO N#Cc1ccc2nc(N[C@H]3CC[N@H+]4CCCC[C@@H]34)ccc2c1 ZINC001120804844 802779533 /nfs/dbraw/zinc/77/95/33/802779533.db2.gz ULGWXWUHMNKZMP-IRXDYDNUSA-N 1 1 292.386 3.145 20 30 CGEDMO C(#Cc1ccccc1)CN[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256905158 807007102 /nfs/dbraw/zinc/00/71/02/807007102.db2.gz QJHVXYLVLOPHDZ-GOSISDBHSA-N 1 1 282.431 3.035 20 30 CGEDMO C(#Cc1ccccc1)C[NH2+][C@@H]1CCCN(C2CCCC2)C1 ZINC001256905158 807007109 /nfs/dbraw/zinc/00/71/09/807007109.db2.gz QJHVXYLVLOPHDZ-GOSISDBHSA-N 1 1 282.431 3.035 20 30 CGEDMO N#Cc1c(F)cccc1C[NH2+][C@@H]1CCc2c1cccc2O ZINC001205999339 813159657 /nfs/dbraw/zinc/15/96/57/813159657.db2.gz WWWIIVBAPUYFIT-MRXNPFEDSA-N 1 1 282.318 3.180 20 30 CGEDMO C[N@H+]1CCCC[C@H]1c1ccc(-c2ccc(N)c(C#N)c2)nc1 ZINC001244111892 803191310 /nfs/dbraw/zinc/19/13/10/803191310.db2.gz BZDDYWDXENIURH-SFHVURJKSA-N 1 1 292.386 3.359 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccsc2)CC[C@H]1C ZINC001131796416 803346028 /nfs/dbraw/zinc/34/60/28/803346028.db2.gz FMOCDVYMITZRFY-HIFRSBDPSA-N 1 1 292.448 3.297 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(CC)CC)C1 ZINC001131896902 803355404 /nfs/dbraw/zinc/35/54/04/803355404.db2.gz WZDXMQWIWMTBPY-ZBFHGGJFSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)c2coc(C)c2)CC[C@H]1C ZINC001131984925 803363875 /nfs/dbraw/zinc/36/38/75/803363875.db2.gz RNEHHUPTWOOQHS-CZUORRHYSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)CC2(C)CCCC2)CC[C@@H]1C ZINC001132014361 803366690 /nfs/dbraw/zinc/36/66/90/803366690.db2.gz VCTWEILPOOHERL-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)/C=C(/C)CC)CC[C@@H]1C ZINC001132042438 803369826 /nfs/dbraw/zinc/36/98/26/803369826.db2.gz UVCHAIVUGUAATP-HICXADOFSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)CCC(=C)C)CC[C@@H]1C ZINC001132072524 803371891 /nfs/dbraw/zinc/37/18/91/803371891.db2.gz LPWMSJWDIFWRED-JKSUJKDBSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(=C)Cl)CC[C@@H]1C ZINC001132079058 803373699 /nfs/dbraw/zinc/37/36/99/803373699.db2.gz SIESZWIKVPPRSH-JSGCOSHPSA-N 1 1 298.858 3.310 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C(C)(C)C(=C)C)CC[C@@H]1C ZINC001132222172 803380224 /nfs/dbraw/zinc/38/02/24/803380224.db2.gz UUVRNDXVKQQNJE-LSDHHAIUSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H](NC(=O)CCCF)CC[C@@H]1C ZINC001132232192 803384289 /nfs/dbraw/zinc/38/42/89/803384289.db2.gz RTBIRCJMHRUJRD-JKSUJKDBSA-N 1 1 298.446 3.452 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CCC(=C)C)C1 ZINC001132228730 803384348 /nfs/dbraw/zinc/38/43/48/803384348.db2.gz VSRBHCCENFIJJF-LSDHHAIUSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC=C(C)C)C1 ZINC001132248602 803387082 /nfs/dbraw/zinc/38/70/82/803387082.db2.gz HAODONQRXZBNSF-JKSUJKDBSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)C(C)(C)CCC)CC[C@@H]1C ZINC001132252811 803387786 /nfs/dbraw/zinc/38/77/86/803387786.db2.gz KSRMIDZSZGKAMR-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)C(C)(C)CC)CC[C@@H]1C ZINC001132256207 803388746 /nfs/dbraw/zinc/38/87/46/803388746.db2.gz KJNHTVAUCBSTDP-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C2(CCC)CC2)CC[C@@H]1C ZINC001132273355 803389687 /nfs/dbraw/zinc/38/96/87/803389687.db2.gz FKXZKHKBFKGYJY-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@H+]1C[C@H](NC(=O)C2(C(C)C)CC2)CC[C@@H]1C ZINC001132274421 803390805 /nfs/dbraw/zinc/39/08/05/803390805.db2.gz TWEKLLYQFDVESO-JKSUJKDBSA-N 1 1 292.467 3.358 20 30 CGEDMO C#CC[N@H+]1C[C@H](NC(=O)CCCCCC(C)C)CC[C@@H]1C ZINC001132339792 803396798 /nfs/dbraw/zinc/39/67/98/803396798.db2.gz JRJJISSKPWXIEB-DLBZAZTESA-N 1 1 292.467 3.195 20 30 CGEDMO CC#CC[N@H+]1C[C@H](NC(=O)CCCCC(C)C)CC[C@@H]1C ZINC001132369074 803398114 /nfs/dbraw/zinc/39/81/14/803398114.db2.gz UEUKXXOIUIBWQZ-DLBZAZTESA-N 1 1 292.467 3.195 20 30 CGEDMO CC#CC[N@H+]1C[C@@H](NC(=O)C(CC)(CC)CC)CC[C@H]1C ZINC001132385092 803399132 /nfs/dbraw/zinc/39/91/32/803399132.db2.gz YKSIDWSTSSUUJM-CVEARBPZSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCC[N@H+]1C[C@H](NC(=O)C(C)(CC)CC)CC[C@H]1C ZINC001132494376 803408782 /nfs/dbraw/zinc/40/87/82/803408782.db2.gz RWUVKVHSOQSTMK-HUUCEWRRSA-N 1 1 280.456 3.358 20 30 CGEDMO N#Cc1c(Cl)cccc1-c1ccc2[nH]c(N)[nH+]c2c1 ZINC001244723574 803513839 /nfs/dbraw/zinc/51/38/39/803513839.db2.gz IUYJSCUGUGCWAS-UHFFFAOYSA-N 1 1 268.707 3.337 20 30 CGEDMO C[N@H+](Cc1ccc(OCC#N)cc1)CC1CC(F)(F)C1 ZINC001137120549 803685263 /nfs/dbraw/zinc/68/52/63/803685263.db2.gz SSNVYDCUCHFTAU-UHFFFAOYSA-N 1 1 280.318 3.066 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cnc2cccc(C)n12 ZINC001137198990 803696680 /nfs/dbraw/zinc/69/66/80/803696680.db2.gz WXOWWMZFRFFKBC-UHFFFAOYSA-N 1 1 257.381 3.431 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2c(F)cccc2Br)C1 ZINC001137467728 803734584 /nfs/dbraw/zinc/73/45/84/803734584.db2.gz KPUKDAXEAPAUDM-NSHDSACASA-N 1 1 296.183 3.433 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2c(F)cccc2Br)C1 ZINC001137467728 803734586 /nfs/dbraw/zinc/73/45/86/803734586.db2.gz KPUKDAXEAPAUDM-NSHDSACASA-N 1 1 296.183 3.433 20 30 CGEDMO Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1F ZINC001137677282 803756727 /nfs/dbraw/zinc/75/67/27/803756727.db2.gz KKJBBNWESYNSEQ-XMQYKBBCSA-N 1 1 258.340 3.401 20 30 CGEDMO COc1ccc(C[N@@H+](C)C2CCCCC2)c(C#N)c1 ZINC001137698482 803759655 /nfs/dbraw/zinc/75/96/55/803759655.db2.gz ZASRRXRLBZRRRA-UHFFFAOYSA-N 1 1 258.365 3.331 20 30 CGEDMO COc1ccc(C[N@@H+]2CC[C@H](F)C(F)(F)CC2)c(C#N)c1 ZINC001137698022 803759871 /nfs/dbraw/zinc/75/98/71/803759871.db2.gz GJHVZBHICJPFKB-AWEZNQCLSA-N 1 1 298.308 3.136 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@H](F)C(F)(F)CC2)c(C#N)c1 ZINC001137698022 803759873 /nfs/dbraw/zinc/75/98/73/803759873.db2.gz GJHVZBHICJPFKB-AWEZNQCLSA-N 1 1 298.308 3.136 20 30 CGEDMO COc1ccc(C[NH+]2CC3(C2)CCCCC3)c(C#N)c1 ZINC001137704562 803761261 /nfs/dbraw/zinc/76/12/61/803761261.db2.gz LLXDAQWRRQVVDK-UHFFFAOYSA-N 1 1 270.376 3.333 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2C)c(C#N)c1 ZINC001137703343 803761291 /nfs/dbraw/zinc/76/12/91/803761291.db2.gz KCWZWKCTXPULFQ-STQMWFEESA-N 1 1 258.365 3.187 20 30 CGEDMO C#CC[N@H+](C)Cc1cc(C)n(-c2ccccc2)c1C ZINC001137857690 803786618 /nfs/dbraw/zinc/78/66/18/803786618.db2.gz KPFRZVPWDMLHEO-UHFFFAOYSA-N 1 1 252.361 3.159 20 30 CGEDMO C[C@]1(O)CC[N@@H+](Cc2ccc(C#Cc3ccccc3)cc2)C1 ZINC001138335007 803895717 /nfs/dbraw/zinc/89/57/17/803895717.db2.gz BWHMOQBSROXATC-FQEVSTJZSA-N 1 1 291.394 3.043 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC[C@H](F)CC2)cc1OC ZINC001138343742 803898980 /nfs/dbraw/zinc/89/89/80/803898980.db2.gz OSOLWNRLLIGHRY-HNNXBMFYSA-N 1 1 291.366 3.031 20 30 CGEDMO C#CC[N@@H+](C)Cc1cc(Cl)c(OC)c(Cl)c1 ZINC001138478362 803945670 /nfs/dbraw/zinc/94/56/70/803945670.db2.gz WRTNOHTYTMACSY-UHFFFAOYSA-N 1 1 258.148 3.067 20 30 CGEDMO C#CC[N@H+](C)Cc1cc(Cl)c(OC)c(Cl)c1 ZINC001138478362 803945675 /nfs/dbraw/zinc/94/56/75/803945675.db2.gz WRTNOHTYTMACSY-UHFFFAOYSA-N 1 1 258.148 3.067 20 30 CGEDMO CC(C)(C)c1n[nH]cc1C[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001138575619 803972832 /nfs/dbraw/zinc/97/28/32/803972832.db2.gz VIAOERGKMGVHTH-UHFFFAOYSA-N 1 1 294.402 3.137 20 30 CGEDMO CC(C)(C)c1n[nH]cc1C[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001138575619 803972839 /nfs/dbraw/zinc/97/28/39/803972839.db2.gz VIAOERGKMGVHTH-UHFFFAOYSA-N 1 1 294.402 3.137 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2CC[C@@](C)(F)[C@H](F)C2)c1O ZINC001138625462 803982487 /nfs/dbraw/zinc/98/24/87/803982487.db2.gz LUJPRPRZYJBSDU-GDBMZVCRSA-N 1 1 281.346 3.393 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CCC[C@H](F)CC2)c1O ZINC001138624354 803982788 /nfs/dbraw/zinc/98/27/88/803982788.db2.gz FICJUMFKGHUAHT-HNNXBMFYSA-N 1 1 263.356 3.445 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CCC[C@H]2c2ncccn2)c1O ZINC001138631197 803985385 /nfs/dbraw/zinc/98/53/85/803985385.db2.gz MVHPOGYNNVDPDL-INIZCTEOSA-N 1 1 295.386 3.248 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2CCc3ncc(C)cc3C2)c1O ZINC001138629522 803985740 /nfs/dbraw/zinc/98/57/40/803985740.db2.gz BUEHFMUVXXCIKK-UHFFFAOYSA-N 1 1 294.398 3.382 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2CCCC[C@@H]2C(C)=O)c1O ZINC001138630463 803986244 /nfs/dbraw/zinc/98/62/44/803986244.db2.gz XFMGXRHTZVJAIK-MRXNPFEDSA-N 1 1 273.376 3.064 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1CCOC[C@H]1C1CC1 ZINC001138666540 803998534 /nfs/dbraw/zinc/99/85/34/803998534.db2.gz WXPAPAYCDMQTJU-KRWDZBQOSA-N 1 1 287.403 3.252 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CCOC[C@H]1C1CC1 ZINC001138666540 803998538 /nfs/dbraw/zinc/99/85/38/803998538.db2.gz WXPAPAYCDMQTJU-KRWDZBQOSA-N 1 1 287.403 3.252 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2cnc3[nH]ccc3c2Cl)CC1 ZINC001138936360 804075475 /nfs/dbraw/zinc/07/54/75/804075475.db2.gz OYKFAYBYQBRTSU-NSHDSACASA-N 1 1 288.782 3.294 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2cnc3[nH]ccc3c2Cl)CC1 ZINC001138936360 804075485 /nfs/dbraw/zinc/07/54/85/804075485.db2.gz OYKFAYBYQBRTSU-NSHDSACASA-N 1 1 288.782 3.294 20 30 CGEDMO CCCCCCCC[C@H](O)C[NH2+]C[C@@H]1CC[C@@H](C)CN1 ZINC001245995090 804096464 /nfs/dbraw/zinc/09/64/64/804096464.db2.gz SPACQGHZQYKDNO-IKGGRYGDSA-N 1 1 284.488 3.076 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@H](OC)C[C@H]1C ZINC001139031408 804114062 /nfs/dbraw/zinc/11/40/62/804114062.db2.gz XGGLCPNESIKXBX-ZBFHGGJFSA-N 1 1 275.392 3.251 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)nc2)C1 ZINC001139344689 804179020 /nfs/dbraw/zinc/17/90/20/804179020.db2.gz KKASGGZETRVHOU-INIZCTEOSA-N 1 1 298.434 3.198 20 30 CGEDMO N#Cc1ccc(Oc2ccc(C[N@H+]3C[C@@H]4C[C@@H]4C3)cn2)cc1 ZINC001139427259 804188574 /nfs/dbraw/zinc/18/85/74/804188574.db2.gz ZRYQZQNGCQAGCC-IYBDPMFKSA-N 1 1 291.354 3.197 20 30 CGEDMO C#CC[N@H+](C)Cc1cn(C(=O)OC(C)(C)C)c2ccccc12 ZINC001139524092 804201302 /nfs/dbraw/zinc/20/13/02/804201302.db2.gz YWGQTKWPUWFPSS-UHFFFAOYSA-N 1 1 298.386 3.490 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)cc1F ZINC001139527155 804202324 /nfs/dbraw/zinc/20/23/24/804202324.db2.gz YYWZKYGVNYPHEB-ZFWWWQNUSA-N 1 1 258.340 3.319 20 30 CGEDMO COCC[C@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1F ZINC001139651982 804244306 /nfs/dbraw/zinc/24/43/06/804244306.db2.gz ZTVLFEFVQTYDRV-OAHLLOKOSA-N 1 1 276.355 3.088 20 30 CGEDMO C[C@]1(CF)CC[N@@H+](Cc2c[nH]c3c2cccc3C#N)C1 ZINC001139701107 804259144 /nfs/dbraw/zinc/25/91/44/804259144.db2.gz ARZFMJWAULKEAM-MRXNPFEDSA-N 1 1 271.339 3.221 20 30 CGEDMO CCCCCCC[C@H](CC(C)C)[NH2+][C@@]1(CO)CCNC1 ZINC001246287678 804260663 /nfs/dbraw/zinc/26/06/63/804260663.db2.gz KGZIGYLUNUBFMR-SJORKVTESA-N 1 1 284.488 3.076 20 30 CGEDMO Cc1cnc2c(c1)C[N@@H+](Cc1ccc(C)c(C#N)c1)CC2 ZINC001139727812 804268824 /nfs/dbraw/zinc/26/88/24/804268824.db2.gz ZNXNNVJHFOMUBA-UHFFFAOYSA-N 1 1 277.371 3.128 20 30 CGEDMO Cc1cnc2c(c1)C[N@H+](Cc1ccc(C)c(C#N)c1)CC2 ZINC001139727812 804268827 /nfs/dbraw/zinc/26/88/27/804268827.db2.gz ZNXNNVJHFOMUBA-UHFFFAOYSA-N 1 1 277.371 3.128 20 30 CGEDMO CCCCCCCC[C@@H](CCC)[NH2+][C@H]1CCNC[C@@H]1O ZINC001246314112 804275895 /nfs/dbraw/zinc/27/58/95/804275895.db2.gz VZLCZLKUCJGLOC-IKGGRYGDSA-N 1 1 284.488 3.218 20 30 CGEDMO C=CCn1cc(C[N@H+](C)[C@H](C)Cc2ccccc2OC)cn1 ZINC001139771375 804278259 /nfs/dbraw/zinc/27/82/59/804278259.db2.gz YCNGMSAABITNBY-OAHLLOKOSA-N 1 1 299.418 3.141 20 30 CGEDMO CCCCCCCCC[C@H](C)[NH2+][C@@H]1CCNC[C@@H]1CO ZINC001246318706 804278577 /nfs/dbraw/zinc/27/85/77/804278577.db2.gz BNOWLRUXDFNXRP-GVDBMIGSSA-N 1 1 284.488 3.076 20 30 CGEDMO C=CCn1cc(C[N@@H+](C)CCc2ccc(C)cc2)cn1 ZINC001139772884 804280326 /nfs/dbraw/zinc/28/03/26/804280326.db2.gz SHRDHDXUOYXFFG-UHFFFAOYSA-N 1 1 269.392 3.052 20 30 CGEDMO CCCCCCC[C@@H](CC(C)C)[NH2+][C@@H]1CCNC[C@@H]1CO ZINC001246320957 804280984 /nfs/dbraw/zinc/28/09/84/804280984.db2.gz MFXMUSIMVWLMLQ-FGTMMUONSA-N 1 1 298.515 3.322 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)CC(C)(C)CC(F)F ZINC001139869376 804304144 /nfs/dbraw/zinc/30/41/44/804304144.db2.gz HVTPADXGEMJDIO-UHFFFAOYSA-N 1 1 290.398 3.024 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccc2c(cnn2C)c1 ZINC001139952516 804333883 /nfs/dbraw/zinc/33/38/83/804333883.db2.gz MKVNPRLBKMRPTQ-UHFFFAOYSA-N 1 1 257.381 3.361 20 30 CGEDMO CC[C@@]1(NC2CCC(c3ccc(C#N)cc3)CC2)CC[NH2+]C1 ZINC001246460406 804342135 /nfs/dbraw/zinc/34/21/35/804342135.db2.gz MJHFDNJQHNUXFQ-CTWPCTMYSA-N 1 1 297.446 3.316 20 30 CGEDMO Cc1[nH+]ccn1-c1ccccc1CN1CCCC[C@@H]1C#N ZINC001140026574 804354556 /nfs/dbraw/zinc/35/45/56/804354556.db2.gz MHQYPYBCYSQWCD-MRXNPFEDSA-N 1 1 280.375 3.059 20 30 CGEDMO C[C@@]1(F)CC[N@H+](Cc2c[nH]c3ccc(C#N)cc23)C[C@H]1F ZINC001140111053 804380314 /nfs/dbraw/zinc/38/03/14/804380314.db2.gz XNYOUASYPTYLGL-HZPDHXFCSA-N 1 1 289.329 3.312 20 30 CGEDMO C[C@@]1(F)CC[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)C[C@H]1F ZINC001140111053 804380323 /nfs/dbraw/zinc/38/03/23/804380323.db2.gz XNYOUASYPTYLGL-HZPDHXFCSA-N 1 1 289.329 3.312 20 30 CGEDMO N#CC1(c2ccccc2)CC[NH+](Cc2cccc(F)n2)CC1 ZINC001140130463 804385499 /nfs/dbraw/zinc/38/54/99/804385499.db2.gz NVTXQANJZRCKPY-UHFFFAOYSA-N 1 1 295.361 3.278 20 30 CGEDMO CCCCCCCC[C@@H](CC)[N@@H+](C)C[C@H]1CNCCO1 ZINC001246551164 804401303 /nfs/dbraw/zinc/40/13/03/804401303.db2.gz PFOCOLVSGVLFMD-IAGOWNOFSA-N 1 1 284.488 3.436 20 30 CGEDMO CCCCCCC[C@H](CC(C)C)[N@H+]1CC[C@@H](O)[C@H](N)C1 ZINC001246571891 804419207 /nfs/dbraw/zinc/41/92/07/804419207.db2.gz IPCJSYOESLHUFZ-BRWVUGGUSA-N 1 1 284.488 3.156 20 30 CGEDMO CCCCCCC[C@H](CC(C)C)N1CC[C@@H](O)[C@H]([NH3+])C1 ZINC001246571891 804419211 /nfs/dbraw/zinc/41/92/11/804419211.db2.gz IPCJSYOESLHUFZ-BRWVUGGUSA-N 1 1 284.488 3.156 20 30 CGEDMO CCCCCCCCC[C@H](C)[N@@H+]1CCNC[C@@H]1COC ZINC001246592616 804433277 /nfs/dbraw/zinc/43/32/77/804433277.db2.gz GFMKWNMLLJNKAH-DLBZAZTESA-N 1 1 284.488 3.436 20 30 CGEDMO CCCCCCCCC[C@H](C)[N@H+]1CCNC[C@@H]1COC ZINC001246592616 804433278 /nfs/dbraw/zinc/43/32/78/804433278.db2.gz GFMKWNMLLJNKAH-DLBZAZTESA-N 1 1 284.488 3.436 20 30 CGEDMO C=CC[N@H+](Cc1ccc2c(c1)ncn2C)C(C)(C)C ZINC001140512203 804450618 /nfs/dbraw/zinc/45/06/18/804450618.db2.gz SYIPMFQKQBZHFB-UHFFFAOYSA-N 1 1 257.381 3.360 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC3(C2)CCCCC3)cn1 ZINC001140547573 804458091 /nfs/dbraw/zinc/45/80/91/804458091.db2.gz UWGUYZXIVUKNCO-UHFFFAOYSA-N 1 1 255.365 3.109 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccccc2)cn1 ZINC001140543418 804458115 /nfs/dbraw/zinc/45/81/15/804458115.db2.gz NZHAVRVISYNLFF-KRWDZBQOSA-N 1 1 263.344 3.290 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)cn1 ZINC001140543467 804458782 /nfs/dbraw/zinc/45/87/82/804458782.db2.gz AOHGXCJFVBYDPJ-INIZCTEOSA-N 1 1 277.371 3.018 20 30 CGEDMO C=CCC1(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CCCC1 ZINC001140633220 804478567 /nfs/dbraw/zinc/47/85/67/804478567.db2.gz GJRXYVSPJKEONT-GASCZTMLSA-N 1 1 278.440 3.112 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cccc3ccncc32)C1 ZINC001140643772 804482708 /nfs/dbraw/zinc/48/27/08/804482708.db2.gz LOZOKUDBWNUZGN-AWEZNQCLSA-N 1 1 265.360 3.360 20 30 CGEDMO CCCC[C@H]1C[C@@H](N(C)Cc2ccc(C#N)cc2)CC[NH2+]1 ZINC001246768153 804500480 /nfs/dbraw/zinc/50/04/80/804500480.db2.gz FDTCBKKTZXHKKV-ROUUACIJSA-N 1 1 285.435 3.301 20 30 CGEDMO N#Cc1c(F)cc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)cc1F ZINC001140752451 804504856 /nfs/dbraw/zinc/50/48/56/804504856.db2.gz KQKOTWFANXUTQZ-STQMWFEESA-N 1 1 276.330 3.458 20 30 CGEDMO C[C@H]1CC[C@H](N)C[N@H+]1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246819035 804533228 /nfs/dbraw/zinc/53/32/28/804533228.db2.gz FBTMTLPLPPAHIR-JOFJAFTHSA-N 1 1 297.446 3.396 20 30 CGEDMO C[C@H]1CC[C@H]([NH3+])CN1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246819035 804533233 /nfs/dbraw/zinc/53/32/33/804533233.db2.gz FBTMTLPLPPAHIR-JOFJAFTHSA-N 1 1 297.446 3.396 20 30 CGEDMO CCCCCCC[N@@H+](CC)Cc1c([O-])c(C)ncc1CO ZINC001140868404 804539497 /nfs/dbraw/zinc/53/94/97/804539497.db2.gz MYDPHPKSOZXDOB-UHFFFAOYSA-N 1 1 294.439 3.380 20 30 CGEDMO CCCCCCC[N@H+](CC)Cc1c(CO)cnc(C)c1O ZINC001140868404 804539500 /nfs/dbraw/zinc/53/95/00/804539500.db2.gz MYDPHPKSOZXDOB-UHFFFAOYSA-N 1 1 294.439 3.380 20 30 CGEDMO CCCCCCC[N@@H+](CC)Cc1c(CO)cnc(C)c1O ZINC001140868404 804539505 /nfs/dbraw/zinc/53/95/05/804539505.db2.gz MYDPHPKSOZXDOB-UHFFFAOYSA-N 1 1 294.439 3.380 20 30 CGEDMO CCCCCCC[C@H](C)N1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246840707 804550029 /nfs/dbraw/zinc/55/00/29/804550029.db2.gz JKDKOJUFIRYFIG-JONQDZQNSA-N 1 1 252.446 3.405 20 30 CGEDMO N#CCC[N@@H+](Cc1ccccc1)C1CCC(C#N)CC1 ZINC001256965183 807018543 /nfs/dbraw/zinc/01/85/43/807018543.db2.gz LYPXKDUMAHYVJS-UHFFFAOYSA-N 1 1 267.376 3.485 20 30 CGEDMO N#CC1CCC([N@H+]2CCc3ncc(Cl)cc3C2)CC1 ZINC001256972256 807020661 /nfs/dbraw/zinc/02/06/61/807020661.db2.gz VXBZKCFEDNNMFI-UHFFFAOYSA-N 1 1 275.783 3.175 20 30 CGEDMO N#CC1CCC([N@H+]2CCc3ccc(F)cc3C2)CC1 ZINC001256969774 807021157 /nfs/dbraw/zinc/02/11/57/807021157.db2.gz NSBPCAJDQPONLI-UHFFFAOYSA-N 1 1 258.340 3.266 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2cccc(O)c2n1 ZINC001141021377 804573424 /nfs/dbraw/zinc/57/34/24/804573424.db2.gz FJWVICSBZMYYGH-DVSIDAKKSA-N 1 1 293.370 3.207 20 30 CGEDMO N#Cc1c(N)sc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)c1Cl ZINC001141106547 804589630 /nfs/dbraw/zinc/58/96/30/804589630.db2.gz BPALWNQJKZNZTC-ZJUUUORDSA-N 1 1 295.839 3.477 20 30 CGEDMO N#Cc1c(N)sc(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)c1Cl ZINC001141106545 804590016 /nfs/dbraw/zinc/59/00/16/804590016.db2.gz BPALWNQJKZNZTC-VHSXEESVSA-N 1 1 295.839 3.477 20 30 CGEDMO CC(C)[N@H+](Cc1sc(N)c(C#N)c1Cl)CC1CC1 ZINC001141112066 804592096 /nfs/dbraw/zinc/59/20/96/804592096.db2.gz NUJNOFGKMYOERR-UHFFFAOYSA-N 1 1 283.828 3.476 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccnc3ccc(OC)cc23)C1 ZINC001141150873 804598893 /nfs/dbraw/zinc/59/88/93/804598893.db2.gz RCMZHOMFBGLVMO-AWEZNQCLSA-N 1 1 280.371 3.089 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ncccn3)cc2)CC1 ZINC001141187332 804606555 /nfs/dbraw/zinc/60/65/55/804606555.db2.gz FTTAEDCBXWJBCO-OAHLLOKOSA-N 1 1 292.386 3.269 20 30 CGEDMO C=CCC[C@H](C)[N@H+]([C@@H]1CCNC1)C1CCCCC1 ZINC001246980027 804627914 /nfs/dbraw/zinc/62/79/14/804627914.db2.gz QDKZLHBPACJRRW-GOEBONIOSA-N 1 1 250.430 3.338 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]([C@@H]1CCNC1)C1CCCCC1 ZINC001246980027 804627917 /nfs/dbraw/zinc/62/79/17/804627917.db2.gz QDKZLHBPACJRRW-GOEBONIOSA-N 1 1 250.430 3.338 20 30 CGEDMO COCC[N@@H+](C)Cc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001141287926 804628312 /nfs/dbraw/zinc/62/83/12/804628312.db2.gz WCUDBEBCSXXQDM-UHFFFAOYSA-N 1 1 296.370 3.429 20 30 CGEDMO C=CC[NH2+]Cc1nc2cc(C)c(C(F)(F)F)cc2[nH]1 ZINC001247015505 804642952 /nfs/dbraw/zinc/64/29/52/804642952.db2.gz RMJZUNAKEYWATH-UHFFFAOYSA-N 1 1 269.270 3.166 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)OCC1CCCCC1 ZINC001212445876 815029972 /nfs/dbraw/zinc/02/99/72/815029972.db2.gz VKSCEUCEGGRWKN-UHFFFAOYSA-N 1 1 282.428 3.143 20 30 CGEDMO CSc1nc(C[N@@H+](CC2CC2)C(C)C)ccc1C#N ZINC001141940030 804680534 /nfs/dbraw/zinc/68/05/34/804680534.db2.gz ZLAZFEJJQAJZQM-UHFFFAOYSA-N 1 1 275.421 3.296 20 30 CGEDMO CSc1nc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)ccc1C#N ZINC001141939795 804680582 /nfs/dbraw/zinc/68/05/82/804680582.db2.gz UKXPFFMGVJZCFK-NEPJUHHUSA-N 1 1 275.421 3.296 20 30 CGEDMO CSc1nc(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)ccc1C#N ZINC001141932219 804681063 /nfs/dbraw/zinc/68/10/63/804681063.db2.gz VRRNBTQJMXWAAF-GXTWGEPZSA-N 1 1 287.432 3.297 20 30 CGEDMO CSc1nc(C[N@H+]2CC[C@@H](C)C[C@H]2C)ccc1C#N ZINC001141941771 804681092 /nfs/dbraw/zinc/68/10/92/804681092.db2.gz XBIXMRNTJIXQOH-VXGBXAGGSA-N 1 1 275.421 3.296 20 30 CGEDMO Cn1cc2c(cccc2C[N@@H+](C)Cc2cccc(C#N)c2)n1 ZINC001142468827 804725127 /nfs/dbraw/zinc/72/51/27/804725127.db2.gz TXXFLTWUAITDBS-UHFFFAOYSA-N 1 1 290.370 3.077 20 30 CGEDMO CC[N@@H+](CCC#N)[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC001256815509 806983878 /nfs/dbraw/zinc/98/38/78/806983878.db2.gz BCGJCGDZSMJKRT-CVEARBPZSA-N 1 1 258.365 3.142 20 30 CGEDMO C#CC[C@H]([NH3+])c1nc(-c2cc(C)cc(C(F)(F)F)c2)no1 ZINC001247610370 804779512 /nfs/dbraw/zinc/77/95/12/804779512.db2.gz ZBXLXYOLMQPBRJ-NSHDSACASA-N 1 1 295.264 3.087 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2ccc3onc(C)c3c2)no1 ZINC001247622092 804783215 /nfs/dbraw/zinc/78/32/15/804783215.db2.gz FSWCNFPDHMVNDK-GFCCVEGCSA-N 1 1 284.319 3.152 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2ccc(OC)cc2Cl)no1 ZINC001247622590 804783717 /nfs/dbraw/zinc/78/37/17/804783717.db2.gz ODZFOMOSSLPDGJ-GFCCVEGCSA-N 1 1 293.754 3.365 20 30 CGEDMO CC[N@@H+](Cc1c[nH]c2cc(C#N)ccc12)Cc1ccncc1 ZINC001142912140 804783761 /nfs/dbraw/zinc/78/37/61/804783761.db2.gz WDIBJHDHNFXRMG-UHFFFAOYSA-N 1 1 290.370 3.457 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)C1 ZINC001142912228 804783814 /nfs/dbraw/zinc/78/38/14/804783814.db2.gz YTGOQTDOVHNJGA-LBPRGKRZSA-N 1 1 253.349 3.271 20 30 CGEDMO N#Cc1ccc2c(C[N@H+]3CCC[C@@]4(CCOC4)C3)c[nH]c2c1 ZINC001142915598 804783922 /nfs/dbraw/zinc/78/39/22/804783922.db2.gz CSUOUEGWPIAWRH-GOSISDBHSA-N 1 1 295.386 3.042 20 30 CGEDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H](C#N)CC2)c1 ZINC001143156237 804811086 /nfs/dbraw/zinc/81/10/86/804811086.db2.gz HVZJVSVGFSUROT-CQSZACIVSA-N 1 1 258.365 3.129 20 30 CGEDMO C=CC[N@@H+](C)Cc1c(OC)ccc(F)c1C(F)(F)F ZINC001143310712 804834441 /nfs/dbraw/zinc/83/44/41/804834441.db2.gz OSUPIRDJUGPKSB-UHFFFAOYSA-N 1 1 277.261 3.471 20 30 CGEDMO C=CC[N@H+](C)Cc1c(OC)ccc(F)c1C(F)(F)F ZINC001143310712 804834447 /nfs/dbraw/zinc/83/44/47/804834447.db2.gz OSUPIRDJUGPKSB-UHFFFAOYSA-N 1 1 277.261 3.471 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2cccc(-c3ccncc3)c2)no1 ZINC001247963928 804857904 /nfs/dbraw/zinc/85/79/04/804857904.db2.gz XZEDONWBZTVEQW-HNNXBMFYSA-N 1 1 292.342 3.375 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2ccc(N(CC)CC)cc2)no1 ZINC001247962549 804858048 /nfs/dbraw/zinc/85/80/48/804858048.db2.gz AKAKERGHEZKQOE-AWEZNQCLSA-N 1 1 286.379 3.159 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2ccc(C#N)c3ccccc23)no1 ZINC001247967014 804858382 /nfs/dbraw/zinc/85/83/82/804858382.db2.gz KQJSNTVNNKIVFY-HNNXBMFYSA-N 1 1 290.326 3.337 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(N[C@H](C)CCO)cc1 ZINC001165965950 807029259 /nfs/dbraw/zinc/02/92/59/807029259.db2.gz IBMAGFHSCNKVHR-PBHICJAKSA-N 1 1 274.408 3.192 20 30 CGEDMO C[N@H+](Cc1[nH]nc2ccc(F)cc21)Cc1cccc(C#N)c1 ZINC001144200873 804953381 /nfs/dbraw/zinc/95/33/81/804953381.db2.gz OFZGTIVQRYOGCG-UHFFFAOYSA-N 1 1 294.333 3.206 20 30 CGEDMO C[N@@H+](Cc1[nH]nc2ccc(F)cc21)Cc1cccc(C#N)c1 ZINC001144200873 804953385 /nfs/dbraw/zinc/95/33/85/804953385.db2.gz OFZGTIVQRYOGCG-UHFFFAOYSA-N 1 1 294.333 3.206 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@@H+](CC1CC1)C1CC1 ZINC001248752735 804984589 /nfs/dbraw/zinc/98/45/89/804984589.db2.gz YCFPKZVIYWFJDB-UHFFFAOYSA-N 1 1 254.377 3.495 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CC[C@@H](OC)C[C@H]1C ZINC001248753203 804986009 /nfs/dbraw/zinc/98/60/09/804986009.db2.gz WXVAMCWSPXEZFS-CXAGYDPISA-N 1 1 272.392 3.120 20 30 CGEDMO Cn1ccc(-c2ccc(C[N@H+]3CCC[C@H](C#N)CC3)cc2)n1 ZINC001248766643 804988143 /nfs/dbraw/zinc/98/81/43/804988143.db2.gz ZTJACDVQCSFOID-HNNXBMFYSA-N 1 1 294.402 3.213 20 30 CGEDMO COc1cc(Cl)cc(C[NH+]2CCC(C)(C#N)CC2)c1 ZINC001144488470 804994854 /nfs/dbraw/zinc/99/48/54/804994854.db2.gz JMUVRUVBZMWCBT-UHFFFAOYSA-N 1 1 278.783 3.474 20 30 CGEDMO N#CCC[N@H+](Cc1ccc2n1CCC2)C1CCCC1 ZINC001248823081 805008428 /nfs/dbraw/zinc/00/84/28/805008428.db2.gz JDKXEVUTTVFPFD-UHFFFAOYSA-N 1 1 257.381 3.093 20 30 CGEDMO N#CCC[N@@H+](Cc1ccc2n1CCC2)C1CCCC1 ZINC001248823081 805008437 /nfs/dbraw/zinc/00/84/37/805008437.db2.gz JDKXEVUTTVFPFD-UHFFFAOYSA-N 1 1 257.381 3.093 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ccncc3C)C2)cc1 ZINC001144581550 805011838 /nfs/dbraw/zinc/01/18/38/805011838.db2.gz WJLUWADTXHHINF-GOSISDBHSA-N 1 1 292.382 3.025 20 30 CGEDMO C#Cc1ccc(C[N@H+](C(C)C)C2CCOCC2)cc1 ZINC001144580752 805012005 /nfs/dbraw/zinc/01/20/05/805012005.db2.gz IALJKRZTRCIZDD-UHFFFAOYSA-N 1 1 257.377 3.057 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2cnn3ccc(C#N)cc23)C[C@H]1C ZINC001249082532 805084840 /nfs/dbraw/zinc/08/48/40/805084840.db2.gz XBCHPSPMHGQXDV-UONOGXRCSA-N 1 1 282.391 3.074 20 30 CGEDMO C=CCCC[N@H+]1CCC2(CN(C(=O)C3CCCCC3)C2)C1 ZINC001146906270 805096444 /nfs/dbraw/zinc/09/64/44/805096444.db2.gz YCOOEHCTVXKIQG-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCCC(=O)N1CC2(C1)CC[N@@H+](CCCC1CCC1)C2 ZINC001147186724 805114934 /nfs/dbraw/zinc/11/49/34/805114934.db2.gz BJEYVZWAMGEWHG-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCCC[N@H+]1CCC2(CN(C(=O)CCC3CCC3)C2)C1 ZINC001147323485 805122367 /nfs/dbraw/zinc/12/23/67/805122367.db2.gz BMGCUYHLTQHKGP-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO CC[C@H](C)c1nn(C)cc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001249407927 805140965 /nfs/dbraw/zinc/14/09/65/805140965.db2.gz SLHXKNFUODSMMU-KBPBESRZSA-N 1 1 274.412 3.059 20 30 CGEDMO N#Cc1ccc2cc(C[N@H+]3CC[C@]4(C3)CCCCO4)[nH]c2c1 ZINC001249426648 805146384 /nfs/dbraw/zinc/14/63/84/805146384.db2.gz BCHQOOLZJGVJHY-SFHVURJKSA-N 1 1 295.386 3.185 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(CN(C(=O)C[C@H](C=C)CC)C2)C1 ZINC001148124867 805164017 /nfs/dbraw/zinc/16/40/17/805164017.db2.gz IRFYDBZBZUCWRG-MRXNPFEDSA-N 1 1 290.451 3.089 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2cc(F)cc3cc[nH]c32)CC1 ZINC001249524971 805164269 /nfs/dbraw/zinc/16/42/69/805164269.db2.gz UUNBGFNURXSXCO-GFCCVEGCSA-N 1 1 271.339 3.433 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC2(C1)CC[N@H+](CCC(=C)C)C2 ZINC001148372685 805176812 /nfs/dbraw/zinc/17/68/12/805176812.db2.gz ZSLAMGSCYMDCAP-UHFFFAOYSA-N 1 1 290.451 3.089 20 30 CGEDMO C[C@@]1(F)CCC[N@@H+](Cc2cccc(C#N)c2F)CC1 ZINC001249671967 805209657 /nfs/dbraw/zinc/20/96/57/805209657.db2.gz HPHYXFMRELZDMG-OAHLLOKOSA-N 1 1 264.319 3.411 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)Cc1cccs1 ZINC001151560314 805297069 /nfs/dbraw/zinc/29/70/69/805297069.db2.gz NWWFUFZJNJRFJZ-CQSZACIVSA-N 1 1 294.464 3.083 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)Cc1ccsc1 ZINC001151706645 805311069 /nfs/dbraw/zinc/31/10/69/805311069.db2.gz NGJBMIOGMDFVAT-CQSZACIVSA-N 1 1 294.464 3.083 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)C(C)C ZINC001152340420 805345927 /nfs/dbraw/zinc/34/59/27/805345927.db2.gz SDFRMBLPWDMDMQ-HUUCEWRRSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)C(F)=C1CCCC1 ZINC001152737585 805367082 /nfs/dbraw/zinc/36/70/82/805367082.db2.gz XSQDCNDDJHSJGK-CYBMUJFWSA-N 1 1 282.403 3.187 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001153432019 805396094 /nfs/dbraw/zinc/39/60/94/805396094.db2.gz DXFJEIIPMLUZNR-OWCLPIDISA-N 1 1 294.483 3.461 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H](C)[N@@H+](CC)CC(C)C ZINC001153609069 805407145 /nfs/dbraw/zinc/40/71/45/805407145.db2.gz WWSXWNHPCVRLEZ-CQSZACIVSA-N 1 1 268.445 3.071 20 30 CGEDMO COc1cc(F)c(C)cc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001250109635 805421881 /nfs/dbraw/zinc/42/18/81/805421881.db2.gz PIXLOQCMHFIDED-CYBMUJFWSA-N 1 1 276.355 3.268 20 30 CGEDMO COc1cc(F)c(C)cc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001250109635 805421888 /nfs/dbraw/zinc/42/18/88/805421888.db2.gz PIXLOQCMHFIDED-CYBMUJFWSA-N 1 1 276.355 3.268 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001154275969 805444621 /nfs/dbraw/zinc/44/46/21/805444621.db2.gz WFGFZUXNTMSEPR-BZUAXINKSA-N 1 1 294.483 3.461 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)CC1(C)CCCCC1 ZINC001154258120 805444741 /nfs/dbraw/zinc/44/47/41/805444741.db2.gz YWNUCABQFYXYJI-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H](C)[N@@H+](CC)CCC2CC2)CCC1 ZINC001155061900 805531188 /nfs/dbraw/zinc/53/11/88/805531188.db2.gz KZTKRNDQJHFQPK-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C1(CCC)CC1 ZINC001155086016 805538115 /nfs/dbraw/zinc/53/81/15/805538115.db2.gz XZGGTKFXSIMLAO-CYBMUJFWSA-N 1 1 286.847 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C1(CCC)CC1 ZINC001155086016 805538112 /nfs/dbraw/zinc/53/81/12/805538112.db2.gz XZGGTKFXSIMLAO-CYBMUJFWSA-N 1 1 286.847 3.146 20 30 CGEDMO C#CC(CC)(CC)N[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256895946 806999746 /nfs/dbraw/zinc/99/97/46/806999746.db2.gz FEZGXOCEPAKHMR-OAHLLOKOSA-N 1 1 262.441 3.175 20 30 CGEDMO C#CC(CC)(CC)N[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256895946 806999750 /nfs/dbraw/zinc/99/97/50/806999750.db2.gz FEZGXOCEPAKHMR-OAHLLOKOSA-N 1 1 262.441 3.175 20 30 CGEDMO N#CC1CCC([N@H+]2Cc3cnn(-c4ccccc4)c3C2)CC1 ZINC001256972754 807020201 /nfs/dbraw/zinc/02/02/01/807020201.db2.gz FLUVEQJAUUUYCX-UHFFFAOYSA-N 1 1 292.386 3.270 20 30 CGEDMO N#Cc1ccc(C2CCC([N@H+]3C=C(N)C=CC3)CC2)cc1 ZINC001257013497 807027587 /nfs/dbraw/zinc/02/75/87/807027587.db2.gz JAIGTBHVIJJZDK-UHFFFAOYSA-N 1 1 279.387 3.256 20 30 CGEDMO Cc1ccc(CC#N)c(N(C)Cc2ccsc2)[nH+]1 ZINC001166829808 807107838 /nfs/dbraw/zinc/10/78/38/807107838.db2.gz WGGKRVGYXWRUFC-UHFFFAOYSA-N 1 1 257.362 3.154 20 30 CGEDMO N#Cc1cccc([C@@H](O)C[N@H+]2CCC[C@H]2c2ccsc2)c1 ZINC001167023869 807131517 /nfs/dbraw/zinc/13/15/17/807131517.db2.gz MGZKZSDNWAJMRG-IRXDYDNUSA-N 1 1 298.411 3.490 20 30 CGEDMO C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@H](CC)CCCC)C1 ZINC001257427889 807152459 /nfs/dbraw/zinc/15/24/59/807152459.db2.gz BQQRFRSVHUUILG-HUUCEWRRSA-N 1 1 282.428 3.332 20 30 CGEDMO C=CC[N@@H+](C[C@@H]1C[C@@]12CCOC2)CC1CCCCC1 ZINC001167392388 807190510 /nfs/dbraw/zinc/19/05/10/807190510.db2.gz TXEVPWSEYODKNJ-DLBZAZTESA-N 1 1 263.425 3.481 20 30 CGEDMO N#Cc1ccccc1CNc1cc(N)cc(C(F)(F)F)[nH+]1 ZINC001167634107 807221489 /nfs/dbraw/zinc/22/14/89/807221489.db2.gz SZVCBVCPFJOGSK-UHFFFAOYSA-N 1 1 292.264 3.166 20 30 CGEDMO N#C[C@@H]1CC[N@H+](C2CCC(OCc3ccccc3)CC2)C1 ZINC001257834052 807224364 /nfs/dbraw/zinc/22/43/64/807224364.db2.gz MMJOWSOTUFPJNN-AOCRQIFASA-N 1 1 284.403 3.360 20 30 CGEDMO Cc1c[nH+]cc(NCCc2ccc(C#N)cc2)c1C ZINC001167679302 807226274 /nfs/dbraw/zinc/22/62/74/807226274.db2.gz PKBYWPPCXAWMIU-UHFFFAOYSA-N 1 1 251.333 3.225 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CC[C@H](N4CCCC4)C3)C[C@H](C1)C2 ZINC001257893400 807242574 /nfs/dbraw/zinc/24/25/74/807242574.db2.gz RERIKFKBEVFAOM-KTGAGVNESA-N 1 1 274.452 3.291 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3C[C@@H]4CCCC(=O)[C@H]4C3)C[C@H](C1)C2 ZINC001257894314 807244176 /nfs/dbraw/zinc/24/41/76/807244176.db2.gz OKQZEDPEBMTDQT-HTYVYXPBSA-N 1 1 273.420 3.422 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CC[C@H](CC(=O)OC)C3)C[C@H](C1)C2 ZINC001257893959 807244291 /nfs/dbraw/zinc/24/42/91/807244291.db2.gz GCPHSDJYFRUMPM-JZWPEALZSA-N 1 1 277.408 3.006 20 30 CGEDMO CCCCCCC[C@H](C)[NH2+]CCNC(=O)C(F)(F)F ZINC001258042570 807272666 /nfs/dbraw/zinc/27/26/66/807272666.db2.gz QKECDADVZJRGBN-NSHDSACASA-N 1 1 282.350 3.004 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CCC(=O)N2CCC[C@H]2C1 ZINC001258053307 807279292 /nfs/dbraw/zinc/27/92/92/807279292.db2.gz YUGOMOMJHVRRAT-HOTGVXAUSA-N 1 1 280.456 3.432 20 30 CGEDMO C#C[C@@H](C)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168022483 807301483 /nfs/dbraw/zinc/30/14/83/807301483.db2.gz SEMWDYWJYOAZBB-XLMAVXFVSA-N 1 1 270.420 3.039 20 30 CGEDMO C#C[C@@H](C)[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168022483 807301492 /nfs/dbraw/zinc/30/14/92/807301492.db2.gz SEMWDYWJYOAZBB-XLMAVXFVSA-N 1 1 270.420 3.039 20 30 CGEDMO CCOC(=O)CCC[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001258127708 807316605 /nfs/dbraw/zinc/31/66/05/807316605.db2.gz BFTNMDVMAQZQCZ-CQSZACIVSA-N 1 1 288.391 3.112 20 30 CGEDMO COCC#CC[N@H+]1CCC[C@H](CCCc2ccccc2)C1 ZINC001168274150 807369861 /nfs/dbraw/zinc/36/98/61/807369861.db2.gz ABNCRYSABZSWBO-IBGZPJMESA-N 1 1 285.431 3.371 20 30 CGEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@H]1CCC(C)(C)C1)C2 ZINC001258606326 807503484 /nfs/dbraw/zinc/50/34/84/807503484.db2.gz VPQKFDONPFLPEJ-BQFCYCMXSA-N 1 1 293.451 3.391 20 30 CGEDMO C=CCn1ccc2c1nc[nH+]c2N[C@@H](C)c1ccc(C)cn1 ZINC001168850327 807527053 /nfs/dbraw/zinc/52/70/53/807527053.db2.gz IKSSOXRTYFSLAZ-ZDUSSCGKSA-N 1 1 293.374 3.494 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001258724729 807573170 /nfs/dbraw/zinc/57/31/70/807573170.db2.gz DHQADRWOXZOLHO-KFWWJZLASA-N 1 1 294.439 3.140 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001258730263 807576530 /nfs/dbraw/zinc/57/65/30/807576530.db2.gz CVUGVPPHOYCIBU-UAGQMJEPSA-N 1 1 279.424 3.001 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001258732684 807579226 /nfs/dbraw/zinc/57/92/26/807579226.db2.gz BHXSFTPPHZDNRQ-BYNSBNAKSA-N 1 1 294.439 3.138 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)Cc1cccc(C(=O)OC)c1 ZINC001258732714 807579562 /nfs/dbraw/zinc/57/95/62/807579562.db2.gz PGXDZVVNJDODLH-CYBMUJFWSA-N 1 1 261.365 3.260 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](Oc2cccc(OC)n2)C1 ZINC001258733979 807581006 /nfs/dbraw/zinc/58/10/06/807581006.db2.gz PPUDRQLKDGDPIF-LSDHHAIUSA-N 1 1 290.407 3.288 20 30 CGEDMO C=C[C@@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001169122820 807583437 /nfs/dbraw/zinc/58/34/37/807583437.db2.gz FGRRAXZWWNQLOV-WCXIOVBPSA-N 1 1 256.393 3.129 20 30 CGEDMO C=CCN1CC[NH+]([C@H](C)Cc2cccc(Cl)c2)CC1 ZINC001258749480 807590985 /nfs/dbraw/zinc/59/09/85/807590985.db2.gz KCNHIWJTOJKZFU-CQSZACIVSA-N 1 1 278.827 3.075 20 30 CGEDMO CCC[N@@H+](CC1CCC(C#N)CC1)[C@H](CC)C(=O)OCC ZINC001169234785 807611322 /nfs/dbraw/zinc/61/13/22/807611322.db2.gz XSWPAPXQHOOEHA-UYSNPLJNSA-N 1 1 294.439 3.370 20 30 CGEDMO CC[C@H](Cc1ccccc1)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001258846330 807656719 /nfs/dbraw/zinc/65/67/19/807656719.db2.gz OZVSGIVECMMDIB-CVEARBPZSA-N 1 1 287.428 3.282 20 30 CGEDMO C=CC[N@H+]([C@@H]1CCCN(C(=O)OCC)CC1)C(C)(C)C ZINC001169709205 807694161 /nfs/dbraw/zinc/69/41/61/807694161.db2.gz HIWUBHPEYGKPLL-CQSZACIVSA-N 1 1 282.428 3.284 20 30 CGEDMO C=CCc1cc(C)c[nH+]c1NC[C@H](CO)Cc1ccccc1 ZINC001169897564 807721812 /nfs/dbraw/zinc/72/18/12/807721812.db2.gz PPNDBAMXPDUARH-QGZVFWFLSA-N 1 1 296.414 3.382 20 30 CGEDMO C#CCOCC[N@H+](C)Cc1ccc([C@@H](C)C(F)(F)F)cc1 ZINC001261262383 807725654 /nfs/dbraw/zinc/72/56/54/807725654.db2.gz VYDPOKTULNLXAU-CYBMUJFWSA-N 1 1 299.336 3.434 20 30 CGEDMO CC[N@@H+]([C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)(C)C ZINC001261263994 807726739 /nfs/dbraw/zinc/72/67/39/807726739.db2.gz YOSGWDYWZVYYKX-MRXNPFEDSA-N 1 1 299.418 3.174 20 30 CGEDMO Cc1cc(NC2=CC(=O)CC(C)(C)C2)c2[nH+]ccn2c1 ZINC001169951367 807728481 /nfs/dbraw/zinc/72/84/81/807728481.db2.gz GKYQNCSQJIMBLM-UHFFFAOYSA-N 1 1 269.348 3.328 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCC)C1 ZINC001261695844 807778473 /nfs/dbraw/zinc/77/84/73/807778473.db2.gz FMXDFRDGCOCARJ-GJZGRUSLSA-N 1 1 298.858 3.242 20 30 CGEDMO N#Cc1ccc(CNc2[nH+]ccc3cc[nH]c32)s1 ZINC001170201608 807793883 /nfs/dbraw/zinc/79/38/83/807793883.db2.gz GRIVLSZOPZTMNT-UHFFFAOYSA-N 1 1 254.318 3.108 20 30 CGEDMO C[C@H]1CC[N@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170379104 807832692 /nfs/dbraw/zinc/83/26/92/807832692.db2.gz QBPSYBZLVOFHED-OOHWJJMZSA-N 1 1 254.377 3.485 20 30 CGEDMO CN(C)C1(C)C[NH+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170388709 807834103 /nfs/dbraw/zinc/83/41/03/807834103.db2.gz ANUKTEUDUZZFQC-UHFFFAOYSA-N 1 1 297.446 3.026 20 30 CGEDMO C=CC[C@@H]([NH2+][C@H](CC)CCCCCC)C(=O)OC ZINC001170586114 807860406 /nfs/dbraw/zinc/86/04/06/807860406.db2.gz IANPNBKQCVXXES-ZIAGYGMSSA-N 1 1 255.402 3.443 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCc2ccc(Br)cc2C1 ZINC001170886635 807925719 /nfs/dbraw/zinc/92/57/19/807925719.db2.gz RHQFIHSUZBSSDH-AWEZNQCLSA-N 1 1 280.209 3.424 20 30 CGEDMO C#C[C@@H]1COCC[N@H+]1Cc1c(C)ccc2cc(C)ccc21 ZINC001171025619 807963644 /nfs/dbraw/zinc/96/36/44/807963644.db2.gz GBFPOBKVLWKHQW-QGZVFWFLSA-N 1 1 279.383 3.291 20 30 CGEDMO C#C[C@@H]1COCC[N@@H+]1Cc1c(C)ccc2cc(C)ccc21 ZINC001171025619 807963646 /nfs/dbraw/zinc/96/36/46/807963646.db2.gz GBFPOBKVLWKHQW-QGZVFWFLSA-N 1 1 279.383 3.291 20 30 CGEDMO C=CC[NH+]1CCN([C@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171044171 807970610 /nfs/dbraw/zinc/97/06/10/807970610.db2.gz JHYOBDJNOLZIIY-HNNXBMFYSA-N 1 1 290.838 3.001 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC12CCCC2 ZINC001263817380 808008607 /nfs/dbraw/zinc/00/86/07/808008607.db2.gz UQEGOURIIMLFJJ-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1ccccn1 ZINC001171203989 808009228 /nfs/dbraw/zinc/00/92/28/808009228.db2.gz RAJMBYVQMFESNX-AWEZNQCLSA-N 1 1 265.360 3.016 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1cccnc1 ZINC001171204036 808009488 /nfs/dbraw/zinc/00/94/88/808009488.db2.gz RJIVPCQFQQAALJ-CQSZACIVSA-N 1 1 265.360 3.016 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@](C)(F)[C@@H](F)C1 ZINC001171210065 808010547 /nfs/dbraw/zinc/01/05/47/808010547.db2.gz PUQQOBSNYGBNFT-UHOFOFEASA-N 1 1 278.346 3.261 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@@H](N2CCCCC2)C1 ZINC001171221344 808011195 /nfs/dbraw/zinc/01/11/95/808011195.db2.gz KTTJOROBMTWZMA-VQIMIIECSA-N 1 1 297.446 3.049 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@H](N2CCCCC2)C1 ZINC001171221344 808011200 /nfs/dbraw/zinc/01/12/00/808011200.db2.gz KTTJOROBMTWZMA-VQIMIIECSA-N 1 1 297.446 3.049 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1C[C@H](C)CC12CC2 ZINC001171230046 808013981 /nfs/dbraw/zinc/01/39/81/808013981.db2.gz RVDYDOJRZHPKRQ-ZIAGYGMSSA-N 1 1 254.377 3.364 20 30 CGEDMO C=CCCC(=O)N[C@@H]1[C@H]2CCC[N@H+](CC(C)C)[C@H]2C1(C)C ZINC001264030221 808030234 /nfs/dbraw/zinc/03/02/34/808030234.db2.gz PHUDYROMYYWONU-DJIMGWMZSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)SC)[C@H]1CC ZINC001264049029 808030901 /nfs/dbraw/zinc/03/09/01/808030901.db2.gz LBKJIQJNRQGYAT-ZNMIVQPWSA-N 1 1 298.496 3.063 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C2CC3(CC3)C2)[C@H]1CC ZINC001264063069 808032579 /nfs/dbraw/zinc/03/25/79/808032579.db2.gz YTCUIVSFZJMTAM-JKSUJKDBSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C/C=C(\C)C=C ZINC001264184039 808044181 /nfs/dbraw/zinc/04/41/81/808044181.db2.gz BYDOBRCDLXWISO-KMPOOHAWSA-N 1 1 276.424 3.008 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C1(CC)CCCC1 ZINC001264376242 808064033 /nfs/dbraw/zinc/06/40/33/808064033.db2.gz FKWXREYWYAKVJN-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)C(CC)CC)[C@H]1C ZINC001264709513 808088661 /nfs/dbraw/zinc/08/86/61/808088661.db2.gz XPGXLQOEFSNICV-FMKPAKJESA-N 1 1 280.456 3.214 20 30 CGEDMO C#CCCCCC(=O)N1CCCC[C@H]1C[N@H+](C)CC(=C)C ZINC001264739035 808090113 /nfs/dbraw/zinc/09/01/13/808090113.db2.gz OEGMSTQMVLBSSD-KRWDZBQOSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CCC[N@@H+](C)CCCNC(=O)c1cc2ccc(C)cc2[nH]1 ZINC001265017037 808103021 /nfs/dbraw/zinc/10/30/21/808103021.db2.gz SBCSTILBNDUZFC-UHFFFAOYSA-N 1 1 299.418 3.104 20 30 CGEDMO C=C(C)C[N@@H+](C)CCCNC(=O)c1c(C)cc(F)cc1C ZINC001265019691 808103406 /nfs/dbraw/zinc/10/34/06/808103406.db2.gz GHLCSIOFAXBJSX-UHFFFAOYSA-N 1 1 292.398 3.070 20 30 CGEDMO C#CCC[N@H+](CC)CCCNC(=O)[C@@]1(C)CCC[C@H]1CC ZINC001265119676 808110764 /nfs/dbraw/zinc/11/07/64/808110764.db2.gz NFPPEJHUSHCBBJ-AEFFLSMTSA-N 1 1 292.467 3.054 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)/C=C(/C)C2CC2)CC1 ZINC001265188495 808117383 /nfs/dbraw/zinc/11/73/83/808117383.db2.gz YSAVVGDKILNAJL-BENRWUELSA-N 1 1 296.842 3.018 20 30 CGEDMO CCC[C@](C)(C#N)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171738535 808128351 /nfs/dbraw/zinc/12/83/51/808128351.db2.gz KGZPLEAESOEPEA-CGTJXYLNSA-N 1 1 285.435 3.321 20 30 CGEDMO C=CC1(CC(=O)N[C@@H]2CC[N@H+](CCCF)C2)CCCCC1 ZINC001265308080 808128722 /nfs/dbraw/zinc/12/87/22/808128722.db2.gz LLVRIOIAIPLCIN-OAHLLOKOSA-N 1 1 296.430 3.063 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001265312453 808130735 /nfs/dbraw/zinc/13/07/35/808130735.db2.gz NSNCBWODUAFNOX-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)CC(C)C)C1 ZINC001265384437 808137343 /nfs/dbraw/zinc/13/73/43/808137343.db2.gz IFRONEJFMZJHDU-MRXNPFEDSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)CC)C1 ZINC001265395588 808139534 /nfs/dbraw/zinc/13/95/34/808139534.db2.gz ZXLQSPNCIBBFPE-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](CC)CCCC)C1 ZINC001265575755 808155535 /nfs/dbraw/zinc/15/55/35/808155535.db2.gz LLDFGRUMSIPWGG-IAGOWNOFSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CCC[N@H+](CC(=C)C)C2)CCC1 ZINC001265591117 808158053 /nfs/dbraw/zinc/15/80/53/808158053.db2.gz OLCNQMRKVADKDM-INIZCTEOSA-N 1 1 290.451 3.137 20 30 CGEDMO CC#CCCCC(=O)NC[C@@H]1CCC[N@H+](CCCCC)C1 ZINC001265588845 808158132 /nfs/dbraw/zinc/15/81/32/808158132.db2.gz JHCPGBIEDFGYQV-KRWDZBQOSA-N 1 1 292.467 3.198 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@H]1CCC[N@H+](CCCC)C1 ZINC001265590596 808159041 /nfs/dbraw/zinc/15/90/41/808159041.db2.gz CVEMURSMGMQBSA-NVXWUHKLSA-N 1 1 280.456 3.217 20 30 CGEDMO CC[C@@H](C#N)N[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974026 808162529 /nfs/dbraw/zinc/16/25/29/808162529.db2.gz BNRXUZRKDOCMEH-DLBZAZTESA-N 1 1 285.435 3.321 20 30 CGEDMO CC1(C)C[C@H]([NH2+]C2CC(C#N)C2)CCN1Cc1ccccc1 ZINC001171975058 808163705 /nfs/dbraw/zinc/16/37/05/808163705.db2.gz BYWLCOXDHYJRHM-LXPRWKDFSA-N 1 1 297.446 3.321 20 30 CGEDMO CC1(C)C[C@H](NC2CC(C#N)C2)CC[N@@H+]1Cc1ccccc1 ZINC001171975058 808163709 /nfs/dbraw/zinc/16/37/09/808163709.db2.gz BYWLCOXDHYJRHM-LXPRWKDFSA-N 1 1 297.446 3.321 20 30 CGEDMO CC1(C)C[C@H](NC2CC(C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC001171975058 808163713 /nfs/dbraw/zinc/16/37/13/808163713.db2.gz BYWLCOXDHYJRHM-LXPRWKDFSA-N 1 1 297.446 3.321 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@](C)(F)CCCC ZINC001265647283 808164641 /nfs/dbraw/zinc/16/46/41/808164641.db2.gz NEBQZYQWHQBCAQ-ZBFHGGJFSA-N 1 1 284.419 3.062 20 30 CGEDMO CC1(C)C[C@@H]([NH2+]CCCC#N)CCN1Cc1ccccc1 ZINC001171984934 808165290 /nfs/dbraw/zinc/16/52/90/808165290.db2.gz YXQYHRUVBJOQSL-KRWDZBQOSA-N 1 1 285.435 3.323 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](CC)CC(C)C ZINC001265656057 808166532 /nfs/dbraw/zinc/16/65/32/808166532.db2.gz VLGDRNQLKWLYSR-HOTGVXAUSA-N 1 1 280.456 3.215 20 30 CGEDMO C#C[C@@H](C)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077288 808170118 /nfs/dbraw/zinc/17/01/18/808170118.db2.gz QSXNXBWNSYATCN-OQIJWPOYSA-N 1 1 282.431 3.183 20 30 CGEDMO C#C[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172077288 808170122 /nfs/dbraw/zinc/17/01/22/808170122.db2.gz QSXNXBWNSYATCN-OQIJWPOYSA-N 1 1 282.431 3.183 20 30 CGEDMO C#C[C@H](C)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077286 808170589 /nfs/dbraw/zinc/17/05/89/808170589.db2.gz QSXNXBWNSYATCN-DSLXNQLJSA-N 1 1 282.431 3.183 20 30 CGEDMO C#C[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172077286 808170595 /nfs/dbraw/zinc/17/05/95/808170595.db2.gz QSXNXBWNSYATCN-DSLXNQLJSA-N 1 1 282.431 3.183 20 30 CGEDMO C=CCCCC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C/C=C/Cl)C1 ZINC001265705959 808172641 /nfs/dbraw/zinc/17/26/41/808172641.db2.gz PDRMTZRAFSDBOG-AEOIHIIDSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCCC[N@@H+](C)Cc1ccsc1 ZINC001265917353 808193239 /nfs/dbraw/zinc/19/32/39/808193239.db2.gz LGPNMCUQCJQEMP-INIZCTEOSA-N 1 1 294.464 3.289 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCCC[N@H+](CC)CC1CC(C)C1 ZINC001266069879 808207605 /nfs/dbraw/zinc/20/76/05/808207605.db2.gz FCUZBSCCHUIBDX-UHFFFAOYSA-N 1 1 294.483 3.463 20 30 CGEDMO CCC[NH+](CCC)CCN[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172289841 808216115 /nfs/dbraw/zinc/21/61/15/808216115.db2.gz IXEYWYRGKQVVPY-INIZCTEOSA-N 1 1 287.451 3.201 20 30 CGEDMO CCC[NH+](CCC)CCN[C@H](C)Cc1ccc(C#N)cc1 ZINC001172289842 808216554 /nfs/dbraw/zinc/21/65/54/808216554.db2.gz IXEYWYRGKQVVPY-MRXNPFEDSA-N 1 1 287.451 3.201 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)C(C)=C1CCCC1)C1CC1 ZINC001266131765 808216973 /nfs/dbraw/zinc/21/69/73/808216973.db2.gz UASKZQGDPVXRLY-UHFFFAOYSA-N 1 1 276.424 3.034 20 30 CGEDMO CCN(CC)CC[N@H+](CC)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172305134 808221942 /nfs/dbraw/zinc/22/19/42/808221942.db2.gz BVNGWRCOIDTGKL-MRXNPFEDSA-N 1 1 287.451 3.153 20 30 CGEDMO CCN(CC)CC[N@@H+](CC)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172305134 808221947 /nfs/dbraw/zinc/22/19/47/808221947.db2.gz BVNGWRCOIDTGKL-MRXNPFEDSA-N 1 1 287.451 3.153 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](CC1CC1)C1CC1 ZINC001172312576 808224046 /nfs/dbraw/zinc/22/40/46/808224046.db2.gz HFSYCDCGXCKZPS-CYBMUJFWSA-N 1 1 254.377 3.364 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001172313341 808224552 /nfs/dbraw/zinc/22/45/52/808224552.db2.gz VDXWMSFPTBCHQV-ZNMIVQPWSA-N 1 1 256.393 3.467 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCc2occc2C1 ZINC001172311807 808224777 /nfs/dbraw/zinc/22/47/77/808224777.db2.gz YQQMXJXIGWPCSL-CYBMUJFWSA-N 1 1 266.344 3.141 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001266246932 808233568 /nfs/dbraw/zinc/23/35/68/808233568.db2.gz YUWQSEQYMHKRJT-JKSUJKDBSA-N 1 1 292.467 3.053 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001266246932 808233569 /nfs/dbraw/zinc/23/35/69/808233569.db2.gz YUWQSEQYMHKRJT-JKSUJKDBSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)C(C)(C)C ZINC001266288753 808236408 /nfs/dbraw/zinc/23/64/08/808236408.db2.gz OHYJTCLIBPJVBJ-ZIAGYGMSSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)c1sc(C)cc1C ZINC001266278762 808236552 /nfs/dbraw/zinc/23/65/52/808236552.db2.gz RDMJZIXRNVXIED-ZDUSSCGKSA-N 1 1 294.464 3.381 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCNC(=O)[C@H]1CCCC[C@H]1C1CC1 ZINC001266301036 808238188 /nfs/dbraw/zinc/23/81/88/808238188.db2.gz ARDXMRKLCAOUHC-IRXDYDNUSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@H](NC(=O)c2ccsc2)C1 ZINC001266302495 808238457 /nfs/dbraw/zinc/23/84/57/808238457.db2.gz QNIDZDOIOVXIRH-OAHLLOKOSA-N 1 1 292.448 3.299 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)CC(C)(C)C=C)C1 ZINC001266458811 808269616 /nfs/dbraw/zinc/26/96/16/808269616.db2.gz CPXKBIKEEHFYSQ-MRXNPFEDSA-N 1 1 292.467 3.335 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)C2CCC2)C1 ZINC001266463643 808270557 /nfs/dbraw/zinc/27/05/57/808270557.db2.gz NWNRNESUKUYENC-HNNXBMFYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC[C@@H](C[N@H+](C)CCC)C1 ZINC001266466210 808271561 /nfs/dbraw/zinc/27/15/61/808271561.db2.gz KUTQFKISNCBYSJ-HOTGVXAUSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H]2CCC[N@@H+]2CC/C=C/CC)C1 ZINC001266482571 808274223 /nfs/dbraw/zinc/27/42/23/808274223.db2.gz DPFMWDDLCALUOC-JFDDCEBESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+](CCC)CCNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001266560167 808287004 /nfs/dbraw/zinc/28/70/04/808287004.db2.gz BXXHUQPRONVBEV-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)[C@]1(C)CC=CCC1 ZINC001266562543 808287670 /nfs/dbraw/zinc/28/76/70/808287670.db2.gz FYPVFZQHUFUROG-QGZVFWFLSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@H]1CCC[N@H+](CC[C@@H](C)F)C1 ZINC001266751204 808311920 /nfs/dbraw/zinc/31/19/20/808311920.db2.gz CZMJWLMXEGNZMD-HUUCEWRRSA-N 1 1 298.446 3.165 20 30 CGEDMO C#CCCCCC(=O)NC[C@H]1CCCC[N@@H+]1CC=C(C)C ZINC001266839904 808320936 /nfs/dbraw/zinc/32/09/36/808320936.db2.gz LDUOFUMRBLZHJX-QGZVFWFLSA-N 1 1 290.451 3.117 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CCCC[N@@H+]2CCC)CCC1 ZINC001266852909 808323480 /nfs/dbraw/zinc/32/34/80/808323480.db2.gz BDDLPJGBAXZUCW-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CC)CCC ZINC001266857577 808326356 /nfs/dbraw/zinc/32/63/56/808326356.db2.gz NGAJKOZZMXGAMW-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO CCCCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C#CC(C)C)C1 ZINC001266890094 808332174 /nfs/dbraw/zinc/33/21/74/808332174.db2.gz ISSKQHVXQHVETB-DLBZAZTESA-N 1 1 292.467 3.053 20 30 CGEDMO CC(C)C[C@H]([NH2+][C@@H](C)CCCC#N)C(=O)OC(C)(C)C ZINC001172478623 808343429 /nfs/dbraw/zinc/34/34/29/808343429.db2.gz GSOUWUBRJNICAX-KBPBESRZSA-N 1 1 282.428 3.415 20 30 CGEDMO CC(C)COCC[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001172483180 808345405 /nfs/dbraw/zinc/34/54/05/808345405.db2.gz JDWWMYZPCWCDAN-HNNXBMFYSA-N 1 1 274.408 3.441 20 30 CGEDMO C[C@@H](CCCC#N)[N@@H+](C)Cc1cncc(Br)c1 ZINC001172494942 808353070 /nfs/dbraw/zinc/35/30/70/808353070.db2.gz ADKDSAYOCYVZEL-NSHDSACASA-N 1 1 296.212 3.358 20 30 CGEDMO C[C@H](CCCC#N)[N@@H+](C)CC/C=C/c1cccnc1 ZINC001172497858 808356314 /nfs/dbraw/zinc/35/63/14/808356314.db2.gz HCJWIVWYEWYPOT-BCFOUKGLSA-N 1 1 257.381 3.499 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CC[C@H](OCc2ccccc2)C1 ZINC001172498571 808356496 /nfs/dbraw/zinc/35/64/96/808356496.db2.gz OKXVIQPUUXZXCX-RDJZCZTQSA-N 1 1 272.392 3.360 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)CC(C)(C)C2CC2)C1 ZINC001267104652 808357714 /nfs/dbraw/zinc/35/77/14/808357714.db2.gz DMQZEXAKLBRQFU-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO CCCCCCCC[C@H](CC)[N@H+]1CCOC[C@@H](O)C1 ZINC001172505208 808360566 /nfs/dbraw/zinc/36/05/66/808360566.db2.gz JVNSBMIYBJGUJW-HOTGVXAUSA-N 1 1 271.445 3.209 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)CCCC2CC2)C1 ZINC001267112111 808361921 /nfs/dbraw/zinc/36/19/21/808361921.db2.gz WLCNDYHTKPCLAX-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C[C@@H](CCCC#N)[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001172506632 808362780 /nfs/dbraw/zinc/36/27/80/808362780.db2.gz XZFRNTRIGDXLTL-YESZJQIVSA-N 1 1 283.419 3.137 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@H](Oc2cccnc2)C1 ZINC001172507281 808363433 /nfs/dbraw/zinc/36/34/33/808363433.db2.gz RTKKJQILKOSRJN-HOCLYGCPSA-N 1 1 273.380 3.007 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@H](C)CCCC#N)cc1OC ZINC001172507828 808363556 /nfs/dbraw/zinc/36/35/56/808363556.db2.gz ZBXRBVOOCDTHQH-CYBMUJFWSA-N 1 1 276.380 3.218 20 30 CGEDMO CCCCCCC[C@H](CCC)[N@H+]1CCNC(=O)CC1 ZINC001172507858 808363856 /nfs/dbraw/zinc/36/38/56/808363856.db2.gz BWLVBHQXUYDVSY-HNNXBMFYSA-N 1 1 268.445 3.338 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)CC(C)(C)C ZINC001267160170 808372173 /nfs/dbraw/zinc/37/21/73/808372173.db2.gz CCZUVOLPMFCNEJ-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C#Cc1ccc(C(=O)NCCC[C@@H]2CCC[N@@H+]2CCC)cc1 ZINC001267170997 808374056 /nfs/dbraw/zinc/37/40/56/808374056.db2.gz BTSNIJSEILNURY-GOSISDBHSA-N 1 1 298.430 3.052 20 30 CGEDMO C=CCC[N@H+](CC)CCNC(=O)[C@]1(C)CCC[C@H]1CC ZINC001267245387 808394900 /nfs/dbraw/zinc/39/49/00/808394900.db2.gz GKRTWJDTVUZJIY-NVXWUHKLSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)C1C[C@H](C)C[C@@H](C)C1 ZINC001267257491 808398252 /nfs/dbraw/zinc/39/82/52/808398252.db2.gz XNEIEQLGNDHZCN-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H]2CC[N@H+](CCCCC)C2)CC1 ZINC001267302830 808408683 /nfs/dbraw/zinc/40/86/83/808408683.db2.gz SPYWBQQTVNRZLJ-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@H](CCC)C(C)C)C1 ZINC001267302711 808408808 /nfs/dbraw/zinc/40/88/08/808408808.db2.gz HBOMKFWHLOMNMN-IAGOWNOFSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)CCCC2CCCC2)C1 ZINC001267309116 808410094 /nfs/dbraw/zinc/41/00/94/808410094.db2.gz JBXDNWFPMARZTC-KRWDZBQOSA-N 1 1 292.467 3.361 20 30 CGEDMO CC1(C)CC([N@H+]2CCC[C@@H](CC#N)C2)CC(C)(C)O1 ZINC001172658192 808410890 /nfs/dbraw/zinc/41/08/90/808410890.db2.gz LZXIKPHRZMKHHL-ZDUSSCGKSA-N 1 1 264.413 3.348 20 30 CGEDMO C=C(Cl)C[N@H+](CCC)CCNC(=O)[C@]1(C)CC=CCC1 ZINC001267314069 808412333 /nfs/dbraw/zinc/41/23/33/808412333.db2.gz HQGOHIYAIMXQLN-MRXNPFEDSA-N 1 1 298.858 3.314 20 30 CGEDMO C=C(Cl)C[N@@H+](CCC)CCNC(=O)[C@]1(C)CC=CCC1 ZINC001267314069 808412339 /nfs/dbraw/zinc/41/23/39/808412339.db2.gz HQGOHIYAIMXQLN-MRXNPFEDSA-N 1 1 298.858 3.314 20 30 CGEDMO CC#CC[N@@H+](CCC)CCNC(=O)C[C@H]1CCCC[C@H]1C ZINC001267320638 808414288 /nfs/dbraw/zinc/41/42/88/808414288.db2.gz QLAOULILYPMKBL-IAGOWNOFSA-N 1 1 292.467 3.054 20 30 CGEDMO C=C(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)CC ZINC001267409986 808424099 /nfs/dbraw/zinc/42/40/99/808424099.db2.gz LFQVNPRRAFSQLV-OAGGEKHMSA-N 1 1 278.440 3.064 20 30 CGEDMO CC(C)=CC[N@H+](CCCNC(=O)C#CC(C)(C)C)C(C)C ZINC001267501376 808435254 /nfs/dbraw/zinc/43/52/54/808435254.db2.gz QTNYJCLZTSSLLH-UHFFFAOYSA-N 1 1 292.467 3.219 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)C/C=C(\C)C=C)C1 ZINC001267545857 808443955 /nfs/dbraw/zinc/44/39/55/808443955.db2.gz FUXLVGPTOTZGDU-NDCSFFLDSA-N 1 1 290.451 3.398 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)C=C(C)C)C1 ZINC001267549472 808444404 /nfs/dbraw/zinc/44/44/04/808444404.db2.gz FACPWDPVLHFYRS-JKSUJKDBSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)/C=C(/C)C2CC2)C1 ZINC001267550885 808445967 /nfs/dbraw/zinc/44/59/67/808445967.db2.gz FZWHXGXVVPKJSB-IRVMHKCDSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCCC(=O)NCC[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001267556278 808446373 /nfs/dbraw/zinc/44/63/73/808446373.db2.gz TZEHYNMTEBEGIS-HNNXBMFYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C[C@H](CC)CC(=O)NCC[C@@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC001267563416 808448499 /nfs/dbraw/zinc/44/84/99/808448499.db2.gz YQZATWICXAXAFD-OVUXIIJLSA-N 1 1 298.858 3.169 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCC[C@H]1CC[N@@H+](CCC(=C)C)C1 ZINC001267569847 808449863 /nfs/dbraw/zinc/44/98/63/808449863.db2.gz CVNJMWVDSOFVQD-WMZOPIPTSA-N 1 1 292.467 3.383 20 30 CGEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](CCCCC)C(C)C)C1 ZINC001267619301 808458130 /nfs/dbraw/zinc/45/81/30/808458130.db2.gz GMCRNJRVQFXSJZ-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](CCCCC)C(C)C)C1 ZINC001267619301 808458137 /nfs/dbraw/zinc/45/81/37/808458137.db2.gz GMCRNJRVQFXSJZ-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC001267613561 808458715 /nfs/dbraw/zinc/45/87/15/808458715.db2.gz MQFRXPJHNOUTHB-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001267703936 808474953 /nfs/dbraw/zinc/47/49/53/808474953.db2.gz ZMRNEMMNVMENQF-ULQDDVLXSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](CC/C=C\CC)C2)CC1 ZINC001267749857 808482283 /nfs/dbraw/zinc/48/22/83/808482283.db2.gz UUEGNPULLHAERO-VGOKWCNXSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CCC)C(C)C)C1 ZINC001267750240 808483330 /nfs/dbraw/zinc/48/33/30/808483330.db2.gz WNVBQUASFDYXIE-CVEARBPZSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N(C)[C@@H]1CC[N@@H+](CCC(=C)C)C1 ZINC001267770960 808487761 /nfs/dbraw/zinc/48/77/61/808487761.db2.gz WCRLEKHPUZXKMO-JKSUJKDBSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCC(=O)N(CC)[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001267782110 808491657 /nfs/dbraw/zinc/49/16/57/808491657.db2.gz REDSDFKOIOHFNA-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H](C)C2CCCC2)C1 ZINC001267789696 808493778 /nfs/dbraw/zinc/49/37/78/808493778.db2.gz JZFWJISJMQDCEF-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CCCCC(C)C)C1 ZINC001267970502 808523065 /nfs/dbraw/zinc/52/30/65/808523065.db2.gz STYZZFVUTHWIIG-MRXNPFEDSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC)CC(C)C)C1 ZINC001268112722 808544010 /nfs/dbraw/zinc/54/40/10/808544010.db2.gz UHXKCAFSKIHJLA-JKSUJKDBSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC(C)(C)C(=O)N(C)CC[N@@H+](C)CC1CC(C)(C)C1 ZINC001268244366 808567833 /nfs/dbraw/zinc/56/78/33/808567833.db2.gz AZCPTXQFBIAPFL-UHFFFAOYSA-N 1 1 280.456 3.025 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCCC[C@@H]1CC ZINC001268254234 808569968 /nfs/dbraw/zinc/56/99/68/808569968.db2.gz MFEQYVFWLSDSMD-JKSUJKDBSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC1(C(=O)N(C)CC[N@@H+](C)CCC2CC2)CCCC1 ZINC001268260329 808572072 /nfs/dbraw/zinc/57/20/72/808572072.db2.gz TWQLJFXRLCLQLD-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)CCC(C)C)CC[C@H]21 ZINC001268262307 808573491 /nfs/dbraw/zinc/57/34/91/808573491.db2.gz JZEBWPHOKFBTOM-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H]1CC[C@@H](CC)C1)C2 ZINC001173276146 808579215 /nfs/dbraw/zinc/57/92/15/808579215.db2.gz BQIGYYJZBXWRMR-ZJPYXAASSA-N 1 1 293.451 3.391 20 30 CGEDMO Cc1[nH]c2ccc(Nc3nc(C)c(C#N)cc3C#N)cc2[nH+]1 ZINC001213071188 815220195 /nfs/dbraw/zinc/22/01/95/815220195.db2.gz DITRLABTXOBRBX-UHFFFAOYSA-N 1 1 288.314 3.062 20 30 CGEDMO C=CCOC1CCC([N@H+]2CCC[C@](C)(F)C2)CC1 ZINC001173320088 808609990 /nfs/dbraw/zinc/60/99/90/808609990.db2.gz ADGQPTMXXSWQRU-NRXISQOPSA-N 1 1 255.377 3.324 20 30 CGEDMO C=CCOC1CCC([N@@H+](C)Cc2cccc(O)c2)CC1 ZINC001173320164 808610003 /nfs/dbraw/zinc/61/00/03/808610003.db2.gz BZWCJIAWLMGIIH-UHFFFAOYSA-N 1 1 275.392 3.338 20 30 CGEDMO C=CCOC1CCC([N@@H+]2CCc3cc(O)ccc3C2)CC1 ZINC001173322650 808610982 /nfs/dbraw/zinc/61/09/82/808610982.db2.gz FIYBQMLINNVVBT-UHFFFAOYSA-N 1 1 287.403 3.264 20 30 CGEDMO C=CCOC1CCC([N@H+]2CC[C@@H](N3CCCCC3)C2)CC1 ZINC001173321085 808611115 /nfs/dbraw/zinc/61/11/15/808611115.db2.gz ADSCVMLXXRLQQI-LXPRWKDFSA-N 1 1 292.467 3.060 20 30 CGEDMO C=CCOC1CCC([N@H+]2CC[C@H](c3ccncc3)C2)CC1 ZINC001173320246 808611407 /nfs/dbraw/zinc/61/14/07/808611407.db2.gz JPGYDUSGVDKINV-AOCRQIFASA-N 1 1 286.419 3.385 20 30 CGEDMO C=CCOC1CCC([N@H+]2CC[C@H](N3CCCCC3)C2)CC1 ZINC001173322256 808611491 /nfs/dbraw/zinc/61/14/91/808611491.db2.gz ADSCVMLXXRLQQI-ADKAHSJRSA-N 1 1 292.467 3.060 20 30 CGEDMO C=CC[N@H+](C)C[C@@H](C)NC(=O)C1CC(C)(C)CC(C)(C)C1 ZINC001268740542 808620022 /nfs/dbraw/zinc/62/00/22/808620022.db2.gz ULWDTUGWYXSIRM-CQSZACIVSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2occc2Cl)C1 ZINC001269061798 808644390 /nfs/dbraw/zinc/64/43/90/808644390.db2.gz QUFVSCUPTGMBSJ-NEPJUHHUSA-N 1 1 296.798 3.092 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)c2occc2Cl)C1 ZINC001269061799 808644670 /nfs/dbraw/zinc/64/46/70/808644670.db2.gz QUFVSCUPTGMBSJ-RYUDHWBXSA-N 1 1 296.798 3.092 20 30 CGEDMO C=CCOC(=O)[C@@H]([NH2+]C1CCC(C)(C#N)CC1)[C@@H](C)CC ZINC001173586455 808647658 /nfs/dbraw/zinc/64/76/58/808647658.db2.gz RNOSOZROJYRXGE-BOLLXYOYSA-N 1 1 292.423 3.192 20 30 CGEDMO CN1CC[N@@H+](C2CCC(C)(C#N)CC2)[C@H](c2ccccc2)C1 ZINC001173592526 808648851 /nfs/dbraw/zinc/64/88/51/808648851.db2.gz RZEZVEBNKMMXIT-XBMUEBEBSA-N 1 1 297.446 3.448 20 30 CGEDMO CC1(C#N)CCC([N@@H+](CCO)Cc2cccs2)CC1 ZINC001173596124 808649487 /nfs/dbraw/zinc/64/94/87/808649487.db2.gz KKKMJMKXXOWPKL-UHFFFAOYSA-N 1 1 278.421 3.015 20 30 CGEDMO CCOC(=O)C[C@H]1CCC[N@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173594065 808650187 /nfs/dbraw/zinc/65/01/87/808650187.db2.gz QNFPSCGQBBRGBK-HPUBIQBYSA-N 1 1 292.423 3.124 20 30 CGEDMO CC1(C#N)CCC([N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)CC1 ZINC001173594021 808650254 /nfs/dbraw/zinc/65/02/54/808650254.db2.gz PCZWHSLZCLIVPK-VTXSZYRJSA-N 1 1 268.351 3.436 20 30 CGEDMO Cc1ncccc1C[N@H+](C)C1CCC(C)(C#N)CC1 ZINC001173600657 808651370 /nfs/dbraw/zinc/65/13/70/808651370.db2.gz IANOFPUFGPZHAB-UHFFFAOYSA-N 1 1 257.381 3.294 20 30 CGEDMO CCC[N@@H+](CCC#N)C1CCC2(C[C@H]2C(=O)OCC)CC1 ZINC001173618606 808653596 /nfs/dbraw/zinc/65/35/96/808653596.db2.gz RKCKARJAFFUJEP-CKDBGZEDSA-N 1 1 292.423 3.124 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H]1CNC(=O)c1ccoc1C ZINC001269195175 808654740 /nfs/dbraw/zinc/65/47/40/808654740.db2.gz MPCZGNPYAKTFME-HNNXBMFYSA-N 1 1 290.407 3.139 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC001269215219 808656138 /nfs/dbraw/zinc/65/61/38/808656138.db2.gz NUVOWMHRKLBOBT-UONOGXRCSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C1CC=C(F)C=C1[NH2+][C@@H]1CC[C@H](CC(=O)OCC)C1 ZINC001173651016 808659221 /nfs/dbraw/zinc/65/92/21/808659221.db2.gz JXOWNSYFPSITOB-GXTWGEPZSA-N 1 1 279.355 3.395 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)CCC(=C)C)C1 ZINC001269245586 808660676 /nfs/dbraw/zinc/66/06/76/808660676.db2.gz JOVMADBJGQGLCK-CVEARBPZSA-N 1 1 278.440 3.230 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC=CCC2)C1 ZINC001269263678 808661487 /nfs/dbraw/zinc/66/14/87/808661487.db2.gz SVEWNSWINQXWDI-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC(C)(C)C(=O)N(C)[C@@H]1CC[N@H+](C[C@@H](C)CC)C1 ZINC001269281863 808662980 /nfs/dbraw/zinc/66/29/80/808662980.db2.gz VJMRBKOXBQICLV-LSDHHAIUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)CC2CCCCC2)C1 ZINC001269292635 808665897 /nfs/dbraw/zinc/66/58/97/808665897.db2.gz OYBVECUYSVNXEN-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)C/C=C/c2ccc(C)cc2)C1 ZINC001269301265 808665909 /nfs/dbraw/zinc/66/59/09/808665909.db2.gz IVUZIVKYPJEIKF-DUMMIQTOSA-N 1 1 298.430 3.117 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)CC2CCCCC2)C1 ZINC001269292637 808666643 /nfs/dbraw/zinc/66/66/43/808666643.db2.gz OYBVECUYSVNXEN-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C#CCCCCC(=O)N(CC)[C@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001269317914 808669056 /nfs/dbraw/zinc/66/90/56/808669056.db2.gz HOBGTVDCQHROIO-KRWDZBQOSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)C2CC(C)(C)C2)C1 ZINC001269324902 808669269 /nfs/dbraw/zinc/66/92/69/808669269.db2.gz RHBYHTLSODFWGO-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)CCC ZINC001269582801 808690059 /nfs/dbraw/zinc/69/00/59/808690059.db2.gz ACOAPAXVDVQJLR-BBWFWOEESA-N 1 1 292.467 3.454 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(C)=O ZINC001269580181 808690087 /nfs/dbraw/zinc/69/00/87/808690087.db2.gz SVUSCOCACIWUBP-CVEARBPZSA-N 1 1 266.429 3.042 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@]2(CCN(C(=O)CCC=C)C2)C1 ZINC001269685757 808697852 /nfs/dbraw/zinc/69/78/52/808697852.db2.gz JUXFYMHAVCSOPS-GOSISDBHSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](C)C(C)(C)C)C1 ZINC001270966277 808756733 /nfs/dbraw/zinc/75/67/33/808756733.db2.gz WXEDGEHDWWRKDR-YJBOKZPZSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)/C(C)=C\C)C1 ZINC001270950426 808756864 /nfs/dbraw/zinc/75/68/64/808756864.db2.gz SIPKDYGNEJYHHQ-GQMMIMOESA-N 1 1 278.440 3.137 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@]1(C)CCC[N@@H+](CC2CCC2)C1 ZINC001270983065 808757342 /nfs/dbraw/zinc/75/73/42/808757342.db2.gz MEJQMZHXAKNVCU-GOSISDBHSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@@H+]1CCC[C@](C)(CNC(=O)C[C@H](C)CC(C)C)C1 ZINC001271008110 808759263 /nfs/dbraw/zinc/75/92/63/808759263.db2.gz URNGZYYVVWGTHV-SJLPKXTDSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C1CCC(C(=O)N2CCC(CC[N@H+](C)CC)CC2)CC1 ZINC001271783304 808783523 /nfs/dbraw/zinc/78/35/23/808783523.db2.gz BNNOECVPROQKEY-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC(CC[N@H+](C)CC)CC1 ZINC001271785465 808783809 /nfs/dbraw/zinc/78/38/09/808783809.db2.gz UXUJJBVEMBDHPY-QGZVFWFLSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CN(C(=O)C[C@@H](C)CCCCC)C[C@H]2C1 ZINC001271880224 808787435 /nfs/dbraw/zinc/78/74/35/808787435.db2.gz KEFDCBILFAMEGO-YESZJQIVSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)C1CC1 ZINC001272014852 808793172 /nfs/dbraw/zinc/79/31/72/808793172.db2.gz FAZCFIXDARPZQD-DJIMGWMZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)C1CC1 ZINC001272014851 808793181 /nfs/dbraw/zinc/79/31/81/808793181.db2.gz FAZCFIXDARPZQD-BHYGNILZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)CCC(C)C)[C@@H]2C1 ZINC001272052969 808794558 /nfs/dbraw/zinc/79/45/58/808794558.db2.gz IPISYZYXZNFRLQ-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2C[C@@H](C)CC ZINC001272423039 808806954 /nfs/dbraw/zinc/80/69/54/808806954.db2.gz TUBHAZMPHUIIGI-DOTOQJQBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H](C)CCC ZINC001272431347 808807969 /nfs/dbraw/zinc/80/79/69/808807969.db2.gz UIPJWMAAVUBDDD-ARFHVFGLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CCC[C@@]12CCN(C)C2=O ZINC001272711156 808823062 /nfs/dbraw/zinc/82/30/62/808823062.db2.gz BJXACMNQWLPFCZ-KRWDZBQOSA-N 1 1 278.440 3.210 20 30 CGEDMO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCC/C=C\CC ZINC001273115833 808834425 /nfs/dbraw/zinc/83/44/25/808834425.db2.gz DOOGEJLPCSIDSI-MBZYTVFJSA-N 1 1 290.451 3.374 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)c1cscc1C ZINC001273495536 808850131 /nfs/dbraw/zinc/85/01/31/808850131.db2.gz AZDVPFVSDUOXMP-UHFFFAOYSA-N 1 1 280.437 3.027 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@@]1(C)CC=CCC1 ZINC001273514617 808850972 /nfs/dbraw/zinc/85/09/72/808850972.db2.gz JLOOTKRGCDQXMC-KRWDZBQOSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001273515090 808851142 /nfs/dbraw/zinc/85/11/42/808851142.db2.gz QRWGENGWYDCXGK-JKSUJKDBSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CC[N@H+](C)CCCN(C)C(=O)CC1(C)CCCCC1 ZINC001273535111 808852774 /nfs/dbraw/zinc/85/27/74/808852774.db2.gz RVRHHPXGKZUTRT-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)C)C2 ZINC001273849571 808863434 /nfs/dbraw/zinc/86/34/34/808863434.db2.gz UUWXHJYCYCDSTI-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)C(C)(C)C(=C)C)cc2C1 ZINC001274035732 808868180 /nfs/dbraw/zinc/86/81/80/808868180.db2.gz KHDFDSMASDWFJV-UHFFFAOYSA-N 1 1 298.430 3.407 20 30 CGEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)C(C)(C)C(=C)C)cc2C1 ZINC001274035732 808868184 /nfs/dbraw/zinc/86/81/84/808868184.db2.gz KHDFDSMASDWFJV-UHFFFAOYSA-N 1 1 298.430 3.407 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](C/C=C/Cl)CC1(C)C ZINC001274447625 808875863 /nfs/dbraw/zinc/87/58/63/808875863.db2.gz YEGWGRZJKUXPNH-XOVSCCBYSA-N 1 1 298.858 3.168 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2(CC)CC2)C[C@@H]1C ZINC001274646532 808880742 /nfs/dbraw/zinc/88/07/42/808880742.db2.gz YLUOSIHYFIBUEZ-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)C=C(CC)CC ZINC001275100011 808907454 /nfs/dbraw/zinc/90/74/54/808907454.db2.gz DDJSYKNZXRYOEX-MRXNPFEDSA-N 1 1 278.440 3.232 20 30 CGEDMO N#Cc1cccc(F)c1Nc1ccc2[nH+]ccn2c1 ZINC001174276866 808922497 /nfs/dbraw/zinc/92/24/97/808922497.db2.gz UIQIEWSLIBHUJJ-UHFFFAOYSA-N 1 1 252.252 3.089 20 30 CGEDMO N#Cc1ccc(F)c(F)c1Nc1ccc2[nH+]ccn2c1 ZINC001174280965 808929620 /nfs/dbraw/zinc/92/96/20/808929620.db2.gz ZYAYSAWRDVXNBU-UHFFFAOYSA-N 1 1 270.242 3.228 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)C[C@H](C)CC(C)(C)C ZINC001275657109 808955974 /nfs/dbraw/zinc/95/59/74/808955974.db2.gz ATWUBVBGRAMLEC-LSDHHAIUSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1oc(C)cc1C ZINC001275800407 808966703 /nfs/dbraw/zinc/96/67/03/808966703.db2.gz JMGKVHSIJGVJOX-UONOGXRCSA-N 1 1 292.423 3.301 20 30 CGEDMO C[C@@H](CNC(=O)C#CC(C)(C)C)[N@@H+](C)CCC1CCCC1 ZINC001275827484 808970019 /nfs/dbraw/zinc/97/00/19/808970019.db2.gz JAKSVOXCOINLET-HNNXBMFYSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@H](C)[N@@H+](C)CCC(C)C ZINC001275919449 808977203 /nfs/dbraw/zinc/97/72/03/808977203.db2.gz CVFDBPQFDLZXJM-HOCLYGCPSA-N 1 1 268.445 3.071 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)CCc1ccc(C)s1 ZINC001276020983 808984603 /nfs/dbraw/zinc/98/46/03/808984603.db2.gz GGYIMSRRWYUKBD-ZDUSSCGKSA-N 1 1 294.464 3.002 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC2CCC1CC2 ZINC001276012463 808984833 /nfs/dbraw/zinc/98/48/33/808984833.db2.gz PUQXJOMODCAMSV-VXLLPVPCSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)C1CCC1 ZINC001276311583 809001511 /nfs/dbraw/zinc/00/15/11/809001511.db2.gz MVIPBVKMVOBMFL-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CC[N@@H+]1C[C@@H](NC(=O)CCCCCC(C)C)C(C)(C)C1 ZINC001276607519 809019742 /nfs/dbraw/zinc/01/97/42/809019742.db2.gz KYXVRPQCQUHJIB-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1C[N@@H+](CCC(C)C)CC1(C)C ZINC001276608505 809019816 /nfs/dbraw/zinc/01/98/16/809019816.db2.gz QVDQBRUPZFFJQP-YJBOKZPZSA-N 1 1 294.483 3.461 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]1CNC(=O)c1ccco1 ZINC001276772545 809028486 /nfs/dbraw/zinc/02/84/86/809028486.db2.gz PGVJHDNXGREMFG-CQSZACIVSA-N 1 1 278.396 3.054 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1C)C1CCCCCC1 ZINC001277369416 809071053 /nfs/dbraw/zinc/07/10/53/809071053.db2.gz YDNQVOVNGNTZOP-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)C[C@@H]2CC=CCC2)CC1 ZINC001277417545 809074784 /nfs/dbraw/zinc/07/47/84/809074784.db2.gz NXOQZSLNAVSRIO-MRXNPFEDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@H](C)CCC)C2)C1 ZINC001277508879 809078633 /nfs/dbraw/zinc/07/86/33/809078633.db2.gz DHQMNRDOKUJHQC-AEFFLSMTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC(=O)N[C@]12CCC[C@H]1[N@@H+](CC=C(C)C)CC2 ZINC001278439305 809133809 /nfs/dbraw/zinc/13/38/09/809133809.db2.gz IXHNZKHYWLRJSA-WBVHZDCISA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C/C=C(\C)C=C)[C@@H]1C ZINC001278516044 809139469 /nfs/dbraw/zinc/13/94/69/809139469.db2.gz NHWWAGPDNWWUHT-RUDSUQHLSA-N 1 1 276.424 3.054 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@]1(C)CCC[N@@H+](CC(C)C)C1 ZINC001278676893 809151981 /nfs/dbraw/zinc/15/19/81/809151981.db2.gz BXTFXIXQMMIKHN-QZTJIDSGSA-N 1 1 294.483 3.463 20 30 CGEDMO CC(C)CC[N@@H+](C)CCN(C(=O)C#CC(C)(C)C)C(C)C ZINC001278907289 809155918 /nfs/dbraw/zinc/15/59/18/809155918.db2.gz BEDGRTQBPVUBJO-UHFFFAOYSA-N 1 1 294.483 3.251 20 30 CGEDMO C=CCCC[N@H+]1C[C@H]2CN(C(=O)CCCCCC)C[C@H]2C1 ZINC001279409719 809172235 /nfs/dbraw/zinc/17/22/35/809172235.db2.gz JVWXZBSUTLZWTB-CALCHBBNSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CCC(=O)NCC1=CC[N@@H+](CC=C(C)C)CC1 ZINC001279565507 809174166 /nfs/dbraw/zinc/17/41/66/809174166.db2.gz PPAPJFFKBJPKSE-UHFFFAOYSA-N 1 1 276.424 3.057 20 30 CGEDMO CCCCCCCC[N@@H+](C)[C@H]1C[C@@H](C(=O)OC)C1 ZINC001174863482 809181815 /nfs/dbraw/zinc/18/18/15/809181815.db2.gz OUTSUVKPQCBNNF-OKILXGFUSA-N 1 1 255.402 3.230 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2ccoc2C)CC1 ZINC001280715265 809196092 /nfs/dbraw/zinc/19/60/92/809196092.db2.gz VPQGNYDOICDFEA-HNNXBMFYSA-N 1 1 290.407 3.139 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)CCCC#CC)CC1 ZINC001280757378 809197527 /nfs/dbraw/zinc/19/75/27/809197527.db2.gz WAUCPSRUBFSGHV-KRWDZBQOSA-N 1 1 290.451 3.117 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)C(CCC)CCC)CC1 ZINC001280755797 809197924 /nfs/dbraw/zinc/19/79/24/809197924.db2.gz GLKNAVMETUXXDP-QGZVFWFLSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)CC[C@@H](C)CC)CC1 ZINC001280758496 809198053 /nfs/dbraw/zinc/19/80/53/809198053.db2.gz AVRZVYUUYFYLRM-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CCCCC(=O)N(C)CCC[N@@H+](C)CCC(C)(C)C ZINC001280804323 809199756 /nfs/dbraw/zinc/19/97/56/809199756.db2.gz ALAZTBZRCQHXSV-UHFFFAOYSA-N 1 1 280.456 3.006 20 30 CGEDMO C=CCCC[N@H+](C)CCCN(C)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001280803141 809200851 /nfs/dbraw/zinc/20/08/51/809200851.db2.gz SZJCXGLZNXOOIU-FVQHAEBGSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@H+](CC)C1 ZINC001280888906 809204008 /nfs/dbraw/zinc/20/40/08/809204008.db2.gz DOGMPJNHDGJHMD-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H](C)CC)C2 ZINC001281086227 809206569 /nfs/dbraw/zinc/20/65/69/809206569.db2.gz OYDDGDBQRHCZBF-SJLPKXTDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@H+](CC(=C)C)CC1(C)C ZINC001281555122 809215534 /nfs/dbraw/zinc/21/55/34/809215534.db2.gz FHOQAVQGDVIYKY-OAHLLOKOSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C)C(C)C ZINC001281955390 809225197 /nfs/dbraw/zinc/22/51/97/809225197.db2.gz MPAZYWZZDOPXTB-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)c1sccc1Cl ZINC001282388766 809245371 /nfs/dbraw/zinc/24/53/71/809245371.db2.gz KOSBIXPNAKRFLU-JTQLQIEISA-N 1 1 286.828 3.028 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@]1(C)CC=CCC1 ZINC001282666162 809258526 /nfs/dbraw/zinc/25/85/26/809258526.db2.gz JIWFZOWVQAIJBB-AEFFLSMTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC(CC=C)C(=O)NC[C@@H]1CCCCC[N@H+]1CC=C ZINC001282668456 809259757 /nfs/dbraw/zinc/25/97/57/809259757.db2.gz YSWWOZIPTQPFNQ-KRWDZBQOSA-N 1 1 290.451 3.302 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)/C=C(\C)C2CC2)C(C)(C)C1 ZINC001282791952 809263563 /nfs/dbraw/zinc/26/35/63/809263563.db2.gz RGOUYDRNNYGULC-DKGMDFAASA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1CCCC2(CN(C(=O)CCCCCC)C2)C1 ZINC001282977788 809268145 /nfs/dbraw/zinc/26/81/45/809268145.db2.gz MYGOQYKNSLLULX-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@]12CCC[C@@H]1[N@@H+](C(C)C)CC2 ZINC001284055397 809293489 /nfs/dbraw/zinc/29/34/89/809293489.db2.gz AXRKMYQMYGOHFM-WMZOPIPTSA-N 1 1 290.451 3.276 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)CC)[C@@H]1C ZINC001284103357 809296584 /nfs/dbraw/zinc/29/65/84/809296584.db2.gz TYLUHCJLFJQKGY-GJZGRUSLSA-N 1 1 266.429 3.112 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)C[C@H](C)C1CC1)C(C)C ZINC001284558465 809309735 /nfs/dbraw/zinc/30/97/35/809309735.db2.gz MHLSRICHOSFSNG-HNNXBMFYSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)C[C@@H](C)C1CC1)C(C)C ZINC001284558466 809310051 /nfs/dbraw/zinc/31/00/51/809310051.db2.gz MHLSRICHOSFSNG-OAHLLOKOSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)C2(CC)CCC2)CC1 ZINC001284948539 809321064 /nfs/dbraw/zinc/32/10/64/809321064.db2.gz MFACAWZKHPOERN-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=C(Br)C[N@H+]1CCSC[C@@H]1C(C)(C)C ZINC001175698015 809510062 /nfs/dbraw/zinc/51/00/62/809510062.db2.gz JVMMUCIFZLETMW-SNVBAGLBSA-N 1 1 278.259 3.359 20 30 CGEDMO C=C(Br)C[N@@H+]1CCSC[C@@H]1C(C)(C)C ZINC001175698015 809510064 /nfs/dbraw/zinc/51/00/64/809510064.db2.gz JVMMUCIFZLETMW-SNVBAGLBSA-N 1 1 278.259 3.359 20 30 CGEDMO N#Cc1ccsc1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001175856887 809558723 /nfs/dbraw/zinc/55/87/23/809558723.db2.gz MNTQBFFKXNFYHW-UHFFFAOYSA-N 1 1 299.399 3.196 20 30 CGEDMO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC001303068075 809602956 /nfs/dbraw/zinc/60/29/56/809602956.db2.gz VTKSBLCWLRJSRP-MRXNPFEDSA-N 1 1 297.402 3.247 20 30 CGEDMO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC001303068075 809602961 /nfs/dbraw/zinc/60/29/61/809602961.db2.gz VTKSBLCWLRJSRP-MRXNPFEDSA-N 1 1 297.402 3.247 20 30 CGEDMO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC001303068074 809603434 /nfs/dbraw/zinc/60/34/34/809603434.db2.gz VTKSBLCWLRJSRP-INIZCTEOSA-N 1 1 297.402 3.247 20 30 CGEDMO CC(C)(C)[N@H+]1CC[C@H]1C(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC001303068074 809603436 /nfs/dbraw/zinc/60/34/36/809603436.db2.gz VTKSBLCWLRJSRP-INIZCTEOSA-N 1 1 297.402 3.247 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001176044938 809607808 /nfs/dbraw/zinc/60/78/08/809607808.db2.gz QIBPZSVXAPGURN-GFCCVEGCSA-N 1 1 288.819 3.070 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001176044938 809607812 /nfs/dbraw/zinc/60/78/12/809607812.db2.gz QIBPZSVXAPGURN-GFCCVEGCSA-N 1 1 288.819 3.070 20 30 CGEDMO C=CCC[C@H]1CCC[N@H+]1Cc1nnc(C2CC2)s1 ZINC001176771616 809759969 /nfs/dbraw/zinc/75/99/69/809759969.db2.gz OBDDWSUXGIDFIY-LBPRGKRZSA-N 1 1 263.410 3.346 20 30 CGEDMO C=C[C@H](C)[NH2+]Cc1csc(COc2ccccc2)n1 ZINC001178165616 809849726 /nfs/dbraw/zinc/84/97/26/809849726.db2.gz BDVJWDDNGWIMBR-LBPRGKRZSA-N 1 1 274.389 3.386 20 30 CGEDMO C[C@H](C(=O)Nc1sc2ccccc2c1C#N)[NH+]1CCCC1 ZINC001180578027 810011360 /nfs/dbraw/zinc/01/13/60/810011360.db2.gz WTGUQQLERSEUBQ-LLVKDONJSA-N 1 1 299.399 3.196 20 30 CGEDMO CC[C@H](CC#N)N[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001180593902 810013292 /nfs/dbraw/zinc/01/32/92/810013292.db2.gz PVRIOMSFEVTNOC-KBAYOESNSA-N 1 1 285.435 3.321 20 30 CGEDMO CC[C@H](CC#N)[NH2+][C@@H]1CC[C@@H](C)N(Cc2ccccc2)C1 ZINC001180593902 810013294 /nfs/dbraw/zinc/01/32/94/810013294.db2.gz PVRIOMSFEVTNOC-KBAYOESNSA-N 1 1 285.435 3.321 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCCCC)[C@@H]2C1 ZINC001186872967 810368828 /nfs/dbraw/zinc/36/88/28/810368828.db2.gz QGMCVJFVCADGNG-YESZJQIVSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@H+](CCCCC)C[C@H]21 ZINC001188063205 810448483 /nfs/dbraw/zinc/44/84/83/810448483.db2.gz FLIRRYLADHVYRV-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]2C[N@H+](CC/C=C\CC)C[C@H]21 ZINC001188080896 810452256 /nfs/dbraw/zinc/45/22/56/810452256.db2.gz OZCAQNHZPBXQIY-JOGGYFKDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001188080850 810452302 /nfs/dbraw/zinc/45/23/02/810452302.db2.gz NGPLRRVSGUANHP-ZWKOTPCHSA-N 1 1 298.430 3.076 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)c2cccs2)C1 ZINC001188702602 810504632 /nfs/dbraw/zinc/50/46/32/810504632.db2.gz QUFXMFZLZGOAAM-ZIAGYGMSSA-N 1 1 292.448 3.249 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[C@H]2C[N@@H+](CCC(C)C)C[C@H]21 ZINC001188894544 810520999 /nfs/dbraw/zinc/52/09/99/810520999.db2.gz BUIOYTWXZJGMGV-IXDOHACOSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CC(C)(C)C)C1 ZINC001188871228 810521587 /nfs/dbraw/zinc/52/15/87/810521587.db2.gz YGCHFADUNAQKIF-CABCVRRESA-N 1 1 280.456 3.310 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)CCCC)C1 ZINC001188991832 810530914 /nfs/dbraw/zinc/53/09/14/810530914.db2.gz IGKZNKULTAYZFU-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC(=O)N1CC[C@@H]([N@H+](C)CC/C=C\CCC)C1 ZINC001189281169 810554811 /nfs/dbraw/zinc/55/48/11/810554811.db2.gz YYVAJYKSKGOCLE-HLRDLLSLSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]([N@H+](C)[C@@H](C)c2ccccc2)C1 ZINC001189318340 810556869 /nfs/dbraw/zinc/55/68/69/810556869.db2.gz JUWKQZAYWBFRLB-RDJZCZTQSA-N 1 1 286.419 3.247 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)CCC3(C)CC3)[C@@H]2C1 ZINC001189646156 810584151 /nfs/dbraw/zinc/58/41/51/810584151.db2.gz IUNSNCPKNZZQRD-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[C@@H]([N@H+](C)CCC(C)C)C1 ZINC001190328337 810619749 /nfs/dbraw/zinc/61/97/49/810619749.db2.gz HDMFOZDMAOYIQF-QGZVFWFLSA-N 1 1 292.467 3.334 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@@H]([N@H+](C)CCC(C)C)C1 ZINC001190388990 810625695 /nfs/dbraw/zinc/62/56/95/810625695.db2.gz OEYUEBMEZYQJSH-OAHLLOKOSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2CCN(C(=O)CCCC3CCCC3)[C@@H]2C1 ZINC001190394178 810625912 /nfs/dbraw/zinc/62/59/12/810625912.db2.gz JIYBZKBMBSJNER-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC23CC3)C1 ZINC001190910123 810655442 /nfs/dbraw/zinc/65/54/42/810655442.db2.gz HKAPIXILIPCNAM-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C2(F)CCCC2)C1 ZINC001191061919 810668105 /nfs/dbraw/zinc/66/81/05/810668105.db2.gz NWTROIPRKBZTEW-HUUCEWRRSA-N 1 1 296.430 3.156 20 30 CGEDMO CO[C@]1(C)C[C@@H]([N@@H+](C)CC2CCC(C#N)CC2)C1(C)C ZINC001191202003 810688099 /nfs/dbraw/zinc/68/80/99/810688099.db2.gz CRQYIAIJVGGTEB-OCUYMYNFSA-N 1 1 278.440 3.452 20 30 CGEDMO COCC#CC[N@@H+](C1CC1)C1CC(c2ccccc2C)C1 ZINC001191330543 810701627 /nfs/dbraw/zinc/70/16/27/810701627.db2.gz QTVWKZDXAKGIRS-UHFFFAOYSA-N 1 1 283.415 3.355 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)C[C@@H](C)CC)C1 ZINC001191684687 810730692 /nfs/dbraw/zinc/73/06/92/810730692.db2.gz UGVINTADVBRBGD-LSDHHAIUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC[C@H]([N@H+](C)CCCCC)C1 ZINC001191891056 810754283 /nfs/dbraw/zinc/75/42/83/810754283.db2.gz WSKFZWXNTNBUMN-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]([N@@H+](C)CCCCCF)C1 ZINC001192093089 810768659 /nfs/dbraw/zinc/76/86/59/810768659.db2.gz HHTDZHFTMXMEGL-HNNXBMFYSA-N 1 1 284.419 3.015 20 30 CGEDMO CC#CC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)CCCCC)C1 ZINC001192687991 810816967 /nfs/dbraw/zinc/81/69/67/810816967.db2.gz OAOCXACCASCQLZ-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC1(CC(=O)N2CC[C@H]([N@H+](C)CCF)C2)CCCCC1 ZINC001192827871 810822786 /nfs/dbraw/zinc/82/27/86/810822786.db2.gz YUOWQSSIEPBZCR-HNNXBMFYSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CC1(CC(=O)N2CC[C@H]([N@@H+](C)CCF)C2)CCCCC1 ZINC001192827871 810822789 /nfs/dbraw/zinc/82/27/89/810822789.db2.gz YUOWQSSIEPBZCR-HNNXBMFYSA-N 1 1 296.430 3.015 20 30 CGEDMO CCCCCCC[C@H](C)NC(=O)N1CCC[N@@H+](C)CC1 ZINC001192920064 810829433 /nfs/dbraw/zinc/82/94/33/810829433.db2.gz QCFLNCFUBYXREI-HNNXBMFYSA-N 1 1 283.460 3.083 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)CCCCCC)C1 ZINC001192977090 810837836 /nfs/dbraw/zinc/83/78/36/810837836.db2.gz HNYJYAXCLHLCSN-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)CC(C)C)C1 ZINC001193100089 810856468 /nfs/dbraw/zinc/85/64/68/810856468.db2.gz SWJYNCOWIYCPHN-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)CCC)C1 ZINC001193122915 810859711 /nfs/dbraw/zinc/85/97/11/810859711.db2.gz NPWBQWOGVVMNKG-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC23CCCC3)C1 ZINC001193279958 810867008 /nfs/dbraw/zinc/86/70/08/810867008.db2.gz RUQCGIZWHHNWMC-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC23CCCC3)C1 ZINC001193267902 810867328 /nfs/dbraw/zinc/86/73/28/810867328.db2.gz OKTUBMFCVZUTCY-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO CC[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccncc1C#N ZINC001193459104 810891473 /nfs/dbraw/zinc/89/14/73/810891473.db2.gz APMDNXMXILITDE-CJNGLKHVSA-N 1 1 257.381 3.354 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)C[C@H](C)C(C)(C)C)C1 ZINC001193713164 810939959 /nfs/dbraw/zinc/93/99/59/810939959.db2.gz JEYBJBZPSJMNBC-GJZGRUSLSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CC=C)C1)c1ccccc1 ZINC001194174867 811028146 /nfs/dbraw/zinc/02/81/46/811028146.db2.gz ZGXXUKPKBSHJQU-ZWKOTPCHSA-N 1 1 298.430 3.065 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)C2CC(C(C)(C)C)C2)C1 ZINC001194374546 811063141 /nfs/dbraw/zinc/06/31/41/811063141.db2.gz IXSIPRJVHRESRF-UYSNPLJNSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)CCCC)CC1 ZINC001194882465 811162560 /nfs/dbraw/zinc/16/25/60/811162560.db2.gz AYYNJWRYXXCDHV-HNNXBMFYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)C[C@H](C)CCC)CC1 ZINC001195226455 811229159 /nfs/dbraw/zinc/22/91/59/811229159.db2.gz QLLDAGRGSYIGAV-MRXNPFEDSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)/C=C/C(C)(C)C)CC1 ZINC001195338356 811244387 /nfs/dbraw/zinc/24/43/87/811244387.db2.gz MMPOSARUDBMKHE-MDZDMXLPSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)c2cscc2C)CC1 ZINC001195434172 811254417 /nfs/dbraw/zinc/25/44/17/811254417.db2.gz GPZOGHYEVLALRP-UHFFFAOYSA-N 1 1 292.448 3.171 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)C2(CC(C)C)CC2)CC1 ZINC001196124337 811319775 /nfs/dbraw/zinc/31/97/75/811319775.db2.gz NXCGLLOWBMXPDO-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCN(C(=O)[C@@H](F)C(C)C)CC1 ZINC001196790911 811366949 /nfs/dbraw/zinc/36/69/49/811366949.db2.gz QKZDKVHJGBIFMM-INIZCTEOSA-N 1 1 298.446 3.261 20 30 CGEDMO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@H+](CC/C=C\CC)CC1 ZINC001196854817 811375979 /nfs/dbraw/zinc/37/59/79/811375979.db2.gz UKNCMLWUGCSBKI-IIAQQRLMSA-N 1 1 292.467 3.335 20 30 CGEDMO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@@H+](CCCCCF)CC1 ZINC001196854745 811376233 /nfs/dbraw/zinc/37/62/33/811376233.db2.gz SSBJFHHEPAQHQY-CVEARBPZSA-N 1 1 298.446 3.119 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H](C)CC(=C)C)CC1 ZINC001196881199 811378278 /nfs/dbraw/zinc/37/82/78/811378278.db2.gz QSJRQZCQCUIBGH-MRXNPFEDSA-N 1 1 278.440 3.089 20 30 CGEDMO C#CCC[N@@H+]1CCCN(C(=O)C[C@H](C)CC(C)(C)C)CC1 ZINC001197263066 811408064 /nfs/dbraw/zinc/40/80/64/811408064.db2.gz VYZVMPNXHUWVQS-INIZCTEOSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@@H](C)C(C)C)CC1 ZINC001197316117 811415296 /nfs/dbraw/zinc/41/52/96/811415296.db2.gz QQROMGYMURBUDB-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO CCC#C[C@@H](C)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001197590931 811432075 /nfs/dbraw/zinc/43/20/75/811432075.db2.gz UXRVVNQQEYBVPA-RLLQIKCJSA-N 1 1 296.458 3.242 20 30 CGEDMO CCC#C[C@@H](C)[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@@]2(C)C1 ZINC001197590931 811432081 /nfs/dbraw/zinc/43/20/81/811432081.db2.gz UXRVVNQQEYBVPA-RLLQIKCJSA-N 1 1 296.458 3.242 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@@]2(C)C1 ZINC001197590931 811432086 /nfs/dbraw/zinc/43/20/86/811432086.db2.gz UXRVVNQQEYBVPA-RLLQIKCJSA-N 1 1 296.458 3.242 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)[C@@](C)(CC)CCC)CC1 ZINC001197579604 811432349 /nfs/dbraw/zinc/43/23/49/811432349.db2.gz ZURSJBOVYCCRAQ-KRWDZBQOSA-N 1 1 280.456 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)[C@H](F)CCCCCC)CC1 ZINC001197823868 811455812 /nfs/dbraw/zinc/45/58/12/811455812.db2.gz IENLIKOAVAHSTI-MRXNPFEDSA-N 1 1 298.446 3.405 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C(C)(C)C ZINC001197937315 811465942 /nfs/dbraw/zinc/46/59/42/811465942.db2.gz LRINZXDCMABFPY-UHFFFAOYSA-N 1 1 260.337 3.137 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)C[C@@H](C)C(C)(C)C)CC1 ZINC001197957451 811467691 /nfs/dbraw/zinc/46/76/91/811467691.db2.gz IBNXSPHJTVLAQY-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)C(C)(C)CC(C)(C)C)CC1 ZINC001198197801 811482884 /nfs/dbraw/zinc/48/28/84/811482884.db2.gz QGWCSMTTYCNJGB-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC001198458531 811505721 /nfs/dbraw/zinc/50/57/21/811505721.db2.gz SVLRHJGKIYLBMW-INIZCTEOSA-N 1 1 290.382 3.219 20 30 CGEDMO CCCCCCCCCNC(=S)NC[C@H]1CC[N@@H+](C)C1 ZINC001200378630 811683747 /nfs/dbraw/zinc/68/37/47/811683747.db2.gz YMFHMYJWIXHYBM-OAHLLOKOSA-N 1 1 299.528 3.153 20 30 CGEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](C[C@H]1CC=CCC1)C2 ZINC001201415486 811834987 /nfs/dbraw/zinc/83/49/87/811834987.db2.gz CKHNGYMBUSHVSF-OKZBNKHCSA-N 1 1 291.435 3.169 20 30 CGEDMO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](CC(CC)CC)C2 ZINC001201526236 811884554 /nfs/dbraw/zinc/88/45/54/811884554.db2.gz UGOWFRRFVSQPDF-ROUUACIJSA-N 1 1 295.467 3.496 20 30 CGEDMO CCCC[C@H](CC)C[N@H+]1CCC2SC(=O)C=C2C1 ZINC001201559429 811902908 /nfs/dbraw/zinc/90/29/08/811902908.db2.gz JSDQJGGJMSCYLV-JSGCOSHPSA-N 1 1 267.438 3.477 20 30 CGEDMO CCCCCCCCCCC[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC001201631007 811925685 /nfs/dbraw/zinc/92/56/85/811925685.db2.gz KRVSXYSFTZQUKU-IAGOWNOFSA-N 1 1 285.472 3.192 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](C(=O)OC)CC[C@H]1C ZINC001201787770 811964535 /nfs/dbraw/zinc/96/45/35/811964535.db2.gz LPUATGIUBQBRMH-KGLIPLIRSA-N 1 1 255.402 3.230 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@]2(CCC(=O)N2)[C@@H]1CC ZINC001201776952 811964811 /nfs/dbraw/zinc/96/48/11/811964811.db2.gz PSQMZSYULUZUEB-RDJZCZTQSA-N 1 1 280.456 3.480 20 30 CGEDMO CCCCCCCN1CC[NH+](CCCCOC)CC1 ZINC001201798137 811966042 /nfs/dbraw/zinc/96/60/42/811966042.db2.gz QCVAGUTUVZWUIX-UHFFFAOYSA-N 1 1 270.461 3.001 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@]2(CCC(=O)O2)C1 ZINC001201798043 811966282 /nfs/dbraw/zinc/96/62/82/811966282.db2.gz MMYWBKAKUBLPBW-OAHLLOKOSA-N 1 1 253.386 3.128 20 30 CGEDMO CCCCCCCCC[N@H+]1C[C@H](F)C[C@H](CO)C1 ZINC001201838881 811968933 /nfs/dbraw/zinc/96/89/33/811968933.db2.gz GBXRDLQZDYNAAK-LSDHHAIUSA-N 1 1 259.409 3.389 20 30 CGEDMO CCCCCCCCC[N@@H+](C)C1CCS(=O)(=O)CC1 ZINC001201852805 811972269 /nfs/dbraw/zinc/97/22/69/811972269.db2.gz MKYOJALFKIXEHG-UHFFFAOYSA-N 1 1 289.485 3.246 20 30 CGEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@@H+](CC1CCCC1)C2 ZINC001202159996 812025588 /nfs/dbraw/zinc/02/55/88/812025588.db2.gz GBWRYEVCTXCYGJ-QZTJIDSGSA-N 1 1 293.451 3.250 20 30 CGEDMO N#Cc1cccc(O[C@@H]2CCC[N@@H+](CC3CCC3)C2)c1 ZINC001202763287 812169387 /nfs/dbraw/zinc/16/93/87/812169387.db2.gz ZIVJDPOGCNMJHJ-QGZVFWFLSA-N 1 1 270.376 3.202 20 30 CGEDMO C#CC1([NH2+]Cc2csc(C(C)(C)C)n2)CCCC1 ZINC001203470308 812371242 /nfs/dbraw/zinc/37/12/42/812371242.db2.gz DSEIXQYOAGWIOI-UHFFFAOYSA-N 1 1 262.422 3.476 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c1 ZINC001203758431 812455986 /nfs/dbraw/zinc/45/59/86/812455986.db2.gz YBMCVXCZAWOBPL-OKILXGFUSA-N 1 1 262.303 3.035 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@H+](Cc1ccc(F)cc1)CC2 ZINC001203912902 812489959 /nfs/dbraw/zinc/48/99/59/812489959.db2.gz IRTAFGPLZDKHSS-UHFFFAOYSA-N 1 1 266.319 3.256 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@@H+](Cc1ccc(F)cc1)CC2 ZINC001203912902 812489963 /nfs/dbraw/zinc/48/99/63/812489963.db2.gz IRTAFGPLZDKHSS-UHFFFAOYSA-N 1 1 266.319 3.256 20 30 CGEDMO N#Cc1cccc(O[C@H]2CCC[N@@H+](Cc3ccoc3)C2)c1 ZINC001204244332 812585592 /nfs/dbraw/zinc/58/55/92/812585592.db2.gz ZDTQETKJLNLDNY-KRWDZBQOSA-N 1 1 282.343 3.195 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)c(OC)c1C ZINC001204262357 812590449 /nfs/dbraw/zinc/59/04/49/812590449.db2.gz PRODRJMJVZCIFQ-CQSZACIVSA-N 1 1 288.391 3.138 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2c2cnccn2)cc1 ZINC001204300278 812605293 /nfs/dbraw/zinc/60/52/93/812605293.db2.gz NKMCKWQJDDSYBV-GOSISDBHSA-N 1 1 295.386 3.379 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)cc1C ZINC001204352088 812617522 /nfs/dbraw/zinc/61/75/22/812617522.db2.gz OKTGSTFNMZKUSO-OAHLLOKOSA-N 1 1 273.401 3.078 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCC3SC(=O)C=C3C2)cc1C ZINC001204352088 812617526 /nfs/dbraw/zinc/61/75/26/812617526.db2.gz OKTGSTFNMZKUSO-OAHLLOKOSA-N 1 1 273.401 3.078 20 30 CGEDMO CN(C)c1ccc(C[N@H+](C)Cc2ccccc2C#N)cc1 ZINC001204373516 812622244 /nfs/dbraw/zinc/62/22/44/812622244.db2.gz VYLJKGCQQMGVFN-UHFFFAOYSA-N 1 1 279.387 3.256 20 30 CGEDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccccc2C#N)cc1 ZINC001204373516 812622251 /nfs/dbraw/zinc/62/22/51/812622251.db2.gz VYLJKGCQQMGVFN-UHFFFAOYSA-N 1 1 279.387 3.256 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2ccc(OC(F)F)cc2)CC1 ZINC001204421723 812634481 /nfs/dbraw/zinc/63/44/81/812634481.db2.gz HCVALSOZZFNEBL-GFCCVEGCSA-N 1 1 280.318 3.414 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2ccc(OC(F)F)cc2)CC1 ZINC001204421724 812634554 /nfs/dbraw/zinc/63/45/54/812634554.db2.gz HCVALSOZZFNEBL-LBPRGKRZSA-N 1 1 280.318 3.414 20 30 CGEDMO CC1(C#N)CC[NH+](Cc2cccn2C(F)F)CC1 ZINC001204968996 812802384 /nfs/dbraw/zinc/80/23/84/812802384.db2.gz POYBQYSZHPYOOG-UHFFFAOYSA-N 1 1 253.296 3.009 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OCCCC#N ZINC001205622382 813031239 /nfs/dbraw/zinc/03/12/39/813031239.db2.gz SUUZNPQIIAVWOS-RDJZCZTQSA-N 1 1 272.392 3.217 20 30 CGEDMO C=CC[C@@H]([NH2+]C1CCC2(CCC2)CC1)C(=O)OCC ZINC001205661722 813046623 /nfs/dbraw/zinc/04/66/23/813046623.db2.gz ZAYNXLWQDHTVDH-CQSZACIVSA-N 1 1 265.397 3.197 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CCCC2)C1 ZINC001205709848 813058384 /nfs/dbraw/zinc/05/83/84/813058384.db2.gz BZZSZNITPBGPLK-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H](C)CC[C@H]2CN)CC1 ZINC001205803347 813084348 /nfs/dbraw/zinc/08/43/48/813084348.db2.gz GKACAWKWWQHQQQ-OIISXLGYSA-N 1 1 262.441 3.348 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@H](C)CC[C@H]2CN)CC1 ZINC001205803347 813084357 /nfs/dbraw/zinc/08/43/57/813084357.db2.gz GKACAWKWWQHQQQ-OIISXLGYSA-N 1 1 262.441 3.348 20 30 CGEDMO COc1cccc2c1C[N@H+](Cc1ccc(C#N)c(C)c1)CC2 ZINC001205840620 813104539 /nfs/dbraw/zinc/10/45/39/813104539.db2.gz MCSLVBXBEKHZPJ-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO COc1cccc2c1C[N@@H+](Cc1ccc(C#N)c(C)c1)CC2 ZINC001205840620 813104541 /nfs/dbraw/zinc/10/45/41/813104541.db2.gz MCSLVBXBEKHZPJ-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C=C(C)C)C1 ZINC001205877751 813118147 /nfs/dbraw/zinc/11/81/47/813118147.db2.gz DMPXHQPDESVWCS-HZPDHXFCSA-N 1 1 278.440 3.136 20 30 CGEDMO C#CC[N@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)C1CC1 ZINC001205883710 813118962 /nfs/dbraw/zinc/11/89/62/813118962.db2.gz WXSLHUFOXNUKPC-UHFFFAOYSA-N 1 1 296.336 3.369 20 30 CGEDMO C[C@]1(C[NH3+])CCCN(Cc2cccc(Cl)c2C#N)CC1 ZINC001206311347 813284542 /nfs/dbraw/zinc/28/45/42/813284542.db2.gz MWXSBHPDHPRBSS-INIZCTEOSA-N 1 1 291.826 3.163 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@H](C#C)C1 ZINC001206463579 813327473 /nfs/dbraw/zinc/32/74/73/813327473.db2.gz JTSQYHOVODNEGK-AWEZNQCLSA-N 1 1 287.790 3.197 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CCC[C@H](C#C)C1 ZINC001206463579 813327479 /nfs/dbraw/zinc/32/74/79/813327479.db2.gz JTSQYHOVODNEGK-AWEZNQCLSA-N 1 1 287.790 3.197 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)CCC)C1 ZINC001206517645 813340077 /nfs/dbraw/zinc/34/00/77/813340077.db2.gz AYZUISCPFAXQKZ-ARFHVFGLSA-N 1 1 280.456 3.215 20 30 CGEDMO C#Cc1cccc(Nc2c[nH+]c(N(C)C)cc2C)c1 ZINC001206736000 813412554 /nfs/dbraw/zinc/41/25/54/813412554.db2.gz AJSOJXPWAQXGHD-UHFFFAOYSA-N 1 1 251.333 3.181 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1Nc1cc(F)c(F)cc1C#N ZINC001206749173 813420074 /nfs/dbraw/zinc/42/00/74/813420074.db2.gz XJZLESBGCUSOSK-UHFFFAOYSA-N 1 1 288.301 3.350 20 30 CGEDMO Cc1cc(CN2CCCC[C@H]2[C@H](C)C[NH+](C)C)ccc1C#N ZINC001206801466 813439614 /nfs/dbraw/zinc/43/96/14/813439614.db2.gz WNUHMTUCZDLMOO-APWZRJJASA-N 1 1 299.462 3.419 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2c(F)cccc2OC(F)F)C1 ZINC001207118217 813488572 /nfs/dbraw/zinc/48/85/72/813488572.db2.gz KJWVDZBZROBYIY-NSHDSACASA-N 1 1 283.293 3.272 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2c(F)cccc2OC(F)F)C1 ZINC001207118217 813488579 /nfs/dbraw/zinc/48/85/79/813488579.db2.gz KJWVDZBZROBYIY-NSHDSACASA-N 1 1 283.293 3.272 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1cc[nH]c(=O)c1 ZINC001207122096 813489622 /nfs/dbraw/zinc/48/96/22/813489622.db2.gz DVHZLFWKQODABI-UHFFFAOYSA-N 1 1 268.360 3.366 20 30 CGEDMO CC1(C)C[C@H](C[N@H+]2CCc3cc(C#N)ccc3C2)CCO1 ZINC001207352183 813547503 /nfs/dbraw/zinc/54/75/03/813547503.db2.gz FGIINWSFWRHIDP-OAHLLOKOSA-N 1 1 284.403 3.122 20 30 CGEDMO COc1ccc(CCC[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC001207582855 813598026 /nfs/dbraw/zinc/59/80/26/813598026.db2.gz UGYZGPDXXJGXEQ-MRXNPFEDSA-N 1 1 272.392 3.253 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C(C)(C)C)C1 ZINC001207709410 813638995 /nfs/dbraw/zinc/63/89/95/813638995.db2.gz WJSNYJKKFYOSPN-QLFBSQMISA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCCCCCCCCC[N@@H+]1C[C@H]2CN(C)C(=O)[C@H]2C1 ZINC001207899137 813666910 /nfs/dbraw/zinc/66/69/10/813666910.db2.gz NQKDSTKJQNPEJE-SJORKVTESA-N 1 1 292.467 3.313 20 30 CGEDMO C[C@@H](C[N@H+]1CCC2SC(=O)C=C2C1)c1ccccc1 ZINC001207903668 813667089 /nfs/dbraw/zinc/66/70/89/813667089.db2.gz PPNVLAHCRKJWIN-WFASDCNBSA-N 1 1 273.401 3.064 20 30 CGEDMO CCC[N@H+](CCC#N)CCc1c(F)cccc1F ZINC001208117544 813696109 /nfs/dbraw/zinc/69/61/09/813696109.db2.gz AKDBPEIEBIMWKJ-UHFFFAOYSA-N 1 1 252.308 3.133 20 30 CGEDMO CCC[N@@H+](CCC#N)CCc1c(F)cccc1F ZINC001208117544 813696113 /nfs/dbraw/zinc/69/61/13/813696113.db2.gz AKDBPEIEBIMWKJ-UHFFFAOYSA-N 1 1 252.308 3.133 20 30 CGEDMO CCCCCCC/C=C/C[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC001208119215 813698294 /nfs/dbraw/zinc/69/82/94/813698294.db2.gz YCIAKBVIAXIUQB-ROJDOSBLSA-N 1 1 278.440 3.210 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC001208119215 813698298 /nfs/dbraw/zinc/69/82/98/813698298.db2.gz YCIAKBVIAXIUQB-ROJDOSBLSA-N 1 1 278.440 3.210 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@@H](CO)CC2)CC1 ZINC001208170297 813724500 /nfs/dbraw/zinc/72/45/00/813724500.db2.gz HNKZLUSBLXAPBA-IAGOWNOFSA-N 1 1 263.425 3.383 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@H](O)[C@@H](C)CC2)CC1 ZINC001208171703 813725019 /nfs/dbraw/zinc/72/50/19/813725019.db2.gz XMSYSHPOPCQICN-USXIJHARSA-N 1 1 263.425 3.382 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+](C)C2CCN(C(C)=O)CC2)CC1 ZINC001208176154 813726972 /nfs/dbraw/zinc/72/69/72/813726972.db2.gz BOKWRUYRIMEPFM-QGZVFWFLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCn3cncc3C2)CC1 ZINC001208178237 813728984 /nfs/dbraw/zinc/72/89/84/813728984.db2.gz OQBVHTXVSRQUBS-OAHLLOKOSA-N 1 1 257.381 3.001 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCn3cncc3C2)CC1 ZINC001208178237 813728988 /nfs/dbraw/zinc/72/89/88/813728988.db2.gz OQBVHTXVSRQUBS-OAHLLOKOSA-N 1 1 257.381 3.001 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@@]3(CCC(=O)O3)C2)CC1 ZINC001208178174 813729434 /nfs/dbraw/zinc/72/94/34/813729434.db2.gz LVOZXWNVMCZQHX-SJLPKXTDSA-N 1 1 289.419 3.461 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+](CC)CC(=O)OCC)CC1 ZINC001208178185 813729668 /nfs/dbraw/zinc/72/96/68/813729668.db2.gz MRRJGLONCRSSIZ-OAHLLOKOSA-N 1 1 265.397 3.174 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+](CC)CC(=O)OCC)CC1 ZINC001208178185 813729669 /nfs/dbraw/zinc/72/96/69/813729669.db2.gz MRRJGLONCRSSIZ-OAHLLOKOSA-N 1 1 265.397 3.174 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCc3c(ncn3C)C2)CC1 ZINC001208178924 813730498 /nfs/dbraw/zinc/73/04/98/813730498.db2.gz YOBFKQPQAFRMAM-OAHLLOKOSA-N 1 1 271.408 3.081 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCc3c(ncn3C)C2)CC1 ZINC001208178924 813730504 /nfs/dbraw/zinc/73/05/04/813730504.db2.gz YOBFKQPQAFRMAM-OAHLLOKOSA-N 1 1 271.408 3.081 20 30 CGEDMO C=C1CCC(CNC(=O)Nc2cc[nH+]c(N(C)C)c2)CC1 ZINC001208182274 813734080 /nfs/dbraw/zinc/73/40/80/813734080.db2.gz DWPKOGMJXHQUKS-UHFFFAOYSA-N 1 1 288.395 3.016 20 30 CGEDMO COC(C)(C)CCC[C@@H](C)CC[N@H+]1CC[C@H](C#N)C1 ZINC001208217085 813748780 /nfs/dbraw/zinc/74/87/80/813748780.db2.gz IHVPMFPGEJCOIN-HUUCEWRRSA-N 1 1 266.429 3.453 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C ZINC001208391143 813759580 /nfs/dbraw/zinc/75/95/80/813759580.db2.gz JYSUYDAMNVBCJC-BZUAXINKSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1C[N@@H+](CC(CC)CC)C[C@H]1C ZINC001208458816 813762470 /nfs/dbraw/zinc/76/24/70/813762470.db2.gz ZQKKGPSEIWMUCC-GDBMZVCRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)CC)C1 ZINC001208466976 813763630 /nfs/dbraw/zinc/76/36/30/813763630.db2.gz PZLOKEQZCNWVQT-QLFBSQMISA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](CCCC(C)C)C2 ZINC001208735576 813825611 /nfs/dbraw/zinc/82/56/11/813825611.db2.gz NJTSWHMZELDJES-IRXDYDNUSA-N 1 1 281.440 3.249 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC(C)C)C1 ZINC001208843225 813863551 /nfs/dbraw/zinc/86/35/51/813863551.db2.gz ZMFKZZMPVQOBGU-HZPDHXFCSA-N 1 1 280.456 3.215 20 30 CGEDMO C[C@@]1(F)CC[N@@H+](CCCc2cccc(C#N)c2)C[C@@H]1F ZINC001208846108 813863805 /nfs/dbraw/zinc/86/38/05/813863805.db2.gz WXLYIXZGTCPDJX-JKSUJKDBSA-N 1 1 278.346 3.263 20 30 CGEDMO N#Cc1cccc(CCC[N@H+]2CCC[C@H]2c2cnccn2)c1 ZINC001208853846 813865807 /nfs/dbraw/zinc/86/58/07/813865807.db2.gz YTEFDJLKDQFOAV-SFHVURJKSA-N 1 1 292.386 3.118 20 30 CGEDMO CCC[N@H+](CCC#N)CCCc1cccc(C#N)c1 ZINC001208853084 813866914 /nfs/dbraw/zinc/86/69/14/813866914.db2.gz CCJFMIHQLBHJDB-UHFFFAOYSA-N 1 1 255.365 3.117 20 30 CGEDMO C[N@@H+](CCCc1ccc(C#N)cc1)CCc1ccncc1 ZINC001208857404 813869941 /nfs/dbraw/zinc/86/99/41/813869941.db2.gz DKIGNQYQQNDFRZ-UHFFFAOYSA-N 1 1 279.387 3.060 20 30 CGEDMO N#Cc1ccc(CCC[N@H+]2CC[C@H](c3ccccn3)C2)cc1 ZINC001208858933 813871563 /nfs/dbraw/zinc/87/15/63/813871563.db2.gz QJKVMDMTEAGTJY-SFHVURJKSA-N 1 1 291.398 3.375 20 30 CGEDMO C[C@H](C[N@H+]1CC[C@@](CF)(C(F)(F)F)C1)C(F)(F)F ZINC001208896557 813886860 /nfs/dbraw/zinc/88/68/60/813886860.db2.gz WVCYQSGAEAKDQR-SFYZADRCSA-N 1 1 281.215 3.409 20 30 CGEDMO C[C@H]1C[N@H+](CCc2ccc(C#N)cc2)CCC[C@@H]1C ZINC001208921100 813902092 /nfs/dbraw/zinc/90/20/92/813902092.db2.gz ZDPFHGFODISPHX-GJZGRUSLSA-N 1 1 256.393 3.469 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)CC=C)C1 ZINC001208954518 813910002 /nfs/dbraw/zinc/91/00/02/813910002.db2.gz NMKYPQCHUJUOJA-BZUAXINKSA-N 1 1 292.467 3.380 20 30 CGEDMO CC1(C#N)CCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208954594 813910662 /nfs/dbraw/zinc/91/06/62/813910662.db2.gz WNIZDLFCUIQEBR-GOSISDBHSA-N 1 1 297.446 3.134 20 30 CGEDMO C=CCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CC ZINC001209160338 813952454 /nfs/dbraw/zinc/95/24/54/813952454.db2.gz ROPKSYMPODOWOT-AWEZNQCLSA-N 1 1 282.428 3.284 20 30 CGEDMO C=CCCC[N@@H+](C)CCCCNC(=O)OC(C)(C)C ZINC001209163312 813954162 /nfs/dbraw/zinc/95/41/62/813954162.db2.gz CBXSBPJCNAJKBM-UHFFFAOYSA-N 1 1 270.417 3.189 20 30 CGEDMO C=CCCC[N@@H+](Cc1ccccc1)[C@@H](C)CC(=O)OC ZINC001209163968 813953740 /nfs/dbraw/zinc/95/37/40/813953740.db2.gz PMIDNVCGNMMUPA-HNNXBMFYSA-N 1 1 275.392 3.406 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001209163303 813953977 /nfs/dbraw/zinc/95/39/77/813953977.db2.gz BZYIUJUZTDIEPN-AWEZNQCLSA-N 1 1 282.428 3.284 20 30 CGEDMO C=CCCCC[N@@H+]1CCCC[C@@H](C(=O)OCC)C1 ZINC001209207269 813967740 /nfs/dbraw/zinc/96/77/40/813967740.db2.gz PFSFOXMWMKIFHR-CQSZACIVSA-N 1 1 253.386 3.008 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@@H](N2CCCCC2)[C@@H](F)C1 ZINC001209207692 813967755 /nfs/dbraw/zinc/96/77/55/813967755.db2.gz CAJBBCGMDFSEDM-JKSUJKDBSA-N 1 1 268.420 3.241 20 30 CGEDMO C=CCCCC[N@H+]1CC[C@@H](N2CCCCC2)[C@@H](F)C1 ZINC001209207692 813967764 /nfs/dbraw/zinc/96/77/64/813967764.db2.gz CAJBBCGMDFSEDM-JKSUJKDBSA-N 1 1 268.420 3.241 20 30 CGEDMO C=CCCCC[N@H+]1Cc2ccccc2[C@H](C(=O)OC)C1 ZINC001209207065 813967903 /nfs/dbraw/zinc/96/79/03/813967903.db2.gz JZVPIVVLCGDXAI-MRXNPFEDSA-N 1 1 273.376 3.115 20 30 CGEDMO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)CCCCC)C1 ZINC001209207498 813968596 /nfs/dbraw/zinc/96/85/96/813968596.db2.gz BEHRSHBHRJCGGG-BRWVUGGUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@@H](CC(=O)OCC)[C@H](C)C1 ZINC001209208659 813968821 /nfs/dbraw/zinc/96/88/21/813968821.db2.gz WUPNVXAOLUZDDM-CABCVRRESA-N 1 1 267.413 3.254 20 30 CGEDMO C#CCCC[N@@H+](Cc1ccccc1)Cc1ccncc1 ZINC001209260750 813986568 /nfs/dbraw/zinc/98/65/68/813986568.db2.gz FTIKURWUBXPEHC-UHFFFAOYSA-N 1 1 264.372 3.497 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)[C@@H]1C ZINC001209261526 813986988 /nfs/dbraw/zinc/98/69/88/813986988.db2.gz CEAKNRLXDOGQPP-LSDHHAIUSA-N 1 1 294.439 3.025 20 30 CGEDMO C#CCCC[N@@H+]1CC[C@H](C(=O)OC)C[C@@H]1c1ccccc1 ZINC001209267579 813989439 /nfs/dbraw/zinc/98/94/39/813989439.db2.gz JSHSDRPIWBDIFD-DLBZAZTESA-N 1 1 285.387 3.026 20 30 CGEDMO CCCCCCC[N@@H+](CC)CCCC1OCCO1 ZINC001209305465 813996291 /nfs/dbraw/zinc/99/62/91/813996291.db2.gz FAFFWMMHNGBFJP-UHFFFAOYSA-N 1 1 257.418 3.432 20 30 CGEDMO C=CCCCCCCC[N@H+]1CC[C@@H](F)[C@@H](O)CC1 ZINC001209438692 814038557 /nfs/dbraw/zinc/03/85/57/814038557.db2.gz SSZIURLNDGYPSV-CABCVRRESA-N 1 1 257.393 3.308 20 30 CGEDMO C=CCCCCC[N@H+]1Cc2cn(C)nc2[C@@H](COCC)C1 ZINC001209423329 814026881 /nfs/dbraw/zinc/02/68/81/814026881.db2.gz SJMHIXRYMLZSHQ-MRXNPFEDSA-N 1 1 291.439 3.102 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H]2CCC[C@@]2(COC)C1 ZINC001209424488 814027003 /nfs/dbraw/zinc/02/70/03/814027003.db2.gz RGDXNPZQIZXSOH-CVEARBPZSA-N 1 1 251.414 3.481 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](Oc2nccc(C)n2)C1 ZINC001209432825 814033657 /nfs/dbraw/zinc/03/36/57/814033657.db2.gz KMTANDHAJDEBRN-INIZCTEOSA-N 1 1 289.423 3.375 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](Oc2ncc(C)cn2)C1 ZINC001209432510 814033854 /nfs/dbraw/zinc/03/38/54/814033854.db2.gz FWYVYPLWGFPMKO-MRXNPFEDSA-N 1 1 289.423 3.375 20 30 CGEDMO C=CCCCCCCN1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC001209435550 814036508 /nfs/dbraw/zinc/03/65/08/814036508.db2.gz DYMAJVYGUKNJTF-JKSUJKDBSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CCCCCCCN1CCC[C@@H]2C[N@H+](C)C[C@H]21 ZINC001209435549 814036794 /nfs/dbraw/zinc/03/67/94/814036794.db2.gz DYMAJVYGUKNJTF-HZPDHXFCSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C ZINC001209439589 814039914 /nfs/dbraw/zinc/03/99/14/814039914.db2.gz UBAWHFZHYNLULP-HZPDHXFCSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CCCCCCCC[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC001209442851 814042666 /nfs/dbraw/zinc/04/26/66/814042666.db2.gz XOFTZKKYWMSOHV-MRXNPFEDSA-N 1 1 280.412 3.087 20 30 CGEDMO N#Cc1ccc(CC2CC[NH+](Cc3ccon3)CC2)cc1 ZINC001209565334 814084173 /nfs/dbraw/zinc/08/41/73/814084173.db2.gz TXWOHHKSKBRGSP-UHFFFAOYSA-N 1 1 281.359 3.001 20 30 CGEDMO N#CCC1C[NH+](Cc2cccc3[nH]cc(Cl)c32)C1 ZINC001209658145 814108021 /nfs/dbraw/zinc/10/80/21/814108021.db2.gz LNIAKYWACGCOGL-UHFFFAOYSA-N 1 1 259.740 3.167 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC(C)(C)C)C1 ZINC001209656162 814108544 /nfs/dbraw/zinc/10/85/44/814108544.db2.gz BBVILAGCPPQADT-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO COc1cccc(C#N)c1Nc1ccc2[nH]c[nH+]c2c1 ZINC001209847041 814163301 /nfs/dbraw/zinc/16/33/01/814163301.db2.gz NHWZNGYSTHWULW-UHFFFAOYSA-N 1 1 264.288 3.187 20 30 CGEDMO C[C@@H]1CC(=O)C=C(c2ccc([C@@H]3CC[N@@H+](C)C3)cc2)C1 ZINC001242742777 823119092 /nfs/dbraw/zinc/11/90/92/823119092.db2.gz CHJUMGDCEZLZHK-XJKSGUPXSA-N 1 1 269.388 3.488 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001210307534 814394971 /nfs/dbraw/zinc/39/49/71/814394971.db2.gz OXDUAHALRITFSD-BZUAXINKSA-N 1 1 294.483 3.461 20 30 CGEDMO CCCCCCCCCC[N@@H+]1CCNC[C@H](F)C1 ZINC001210581205 814541400 /nfs/dbraw/zinc/54/14/00/814541400.db2.gz PSSZHNPURADXIQ-HNNXBMFYSA-N 1 1 258.425 3.370 20 30 CGEDMO CCCCCCCCCC[N@H+]1CCNC[C@H](F)C1 ZINC001210581205 814541405 /nfs/dbraw/zinc/54/14/05/814541405.db2.gz PSSZHNPURADXIQ-HNNXBMFYSA-N 1 1 258.425 3.370 20 30 CGEDMO Cc1cn2cc(Nc3ccc(F)cc3C#N)ccc2[nH+]1 ZINC001210549640 814520183 /nfs/dbraw/zinc/52/01/83/814520183.db2.gz CJTWEWXKVZITRD-UHFFFAOYSA-N 1 1 266.279 3.397 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)C(C)(C)C)C1 ZINC001210619849 814559553 /nfs/dbraw/zinc/55/95/53/814559553.db2.gz IRBZZAQWLHIWCJ-BZUAXINKSA-N 1 1 294.483 3.461 20 30 CGEDMO Cc1ccc(Nc2[nH+]c3ccccc3n2C)cc1C#N ZINC001216072789 815680089 /nfs/dbraw/zinc/68/00/89/815680089.db2.gz AMTZTKOJDLXRLM-UHFFFAOYSA-N 1 1 262.316 3.497 20 30 CGEDMO Cc1c(C#N)cccc1Nc1cccc2[nH+]cn(C)c21 ZINC001216177057 815722279 /nfs/dbraw/zinc/72/22/79/815722279.db2.gz VMEZKWGQWRPCFK-UHFFFAOYSA-N 1 1 262.316 3.497 20 30 CGEDMO C=CCCCCCCCCO[C@@H]1CC[NH2+]CC(=O)C1 ZINC001217828343 815971218 /nfs/dbraw/zinc/97/12/18/815971218.db2.gz NPYYBDHPQXZTEM-MRXNPFEDSA-N 1 1 267.413 3.241 20 30 CGEDMO C=C[C@@H](CCCCC)Oc1nc(CC)nc2c1C[NH2+]C2 ZINC001218211907 816129464 /nfs/dbraw/zinc/12/94/64/816129464.db2.gz FVBOWRRXJXFSMM-LBPRGKRZSA-N 1 1 275.396 3.156 20 30 CGEDMO C=C[C@H](CCCCC)Oc1nc(CC)nc2c1C[NH2+]C2 ZINC001218211906 816129512 /nfs/dbraw/zinc/12/95/12/816129512.db2.gz FVBOWRRXJXFSMM-GFCCVEGCSA-N 1 1 275.396 3.156 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCCCC)[C@@H]2C1 ZINC001221278736 816309021 /nfs/dbraw/zinc/30/90/21/816309021.db2.gz CXEACXWQYBSFFW-BRWVUGGUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)CCCC)[C@@H]2C1 ZINC001221523926 816318254 /nfs/dbraw/zinc/31/82/54/816318254.db2.gz CGBVXBJNYCFZTD-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CCC(=O)N1C[C@H]2CC[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC001221584995 816321144 /nfs/dbraw/zinc/32/11/44/816321144.db2.gz NPDVXIJRGCQVOS-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO Cc1[nH+]ccn1-c1cc(-c2c(C)cc(C#N)cc2C)ncn1 ZINC001222636930 816486550 /nfs/dbraw/zinc/48/65/50/816486550.db2.gz RDABDESBSQKFNT-UHFFFAOYSA-N 1 1 289.342 3.126 20 30 CGEDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2OCCCCCCC#N ZINC001224376906 816789893 /nfs/dbraw/zinc/78/98/93/816789893.db2.gz VZLCJYQGWHQQSY-ZSHCYNCHSA-N 1 1 264.413 3.207 20 30 CGEDMO C=CCCCO[C@@H]1CC[N@H+]([C@H](C)c2ccccn2)C1 ZINC001224511859 816817964 /nfs/dbraw/zinc/81/79/64/816817964.db2.gz VJOVYBFIBXHCKG-HUUCEWRRSA-N 1 1 260.381 3.200 20 30 CGEDMO CC[C@H](C#Cc1ccccc1)Oc1cccnc1C[NH+](C)C ZINC001225281455 816994000 /nfs/dbraw/zinc/99/40/00/816994000.db2.gz DEVAEILWZFNHSC-QGZVFWFLSA-N 1 1 294.398 3.352 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H](Oc2nc(C3CC3)ccc2C#N)C1 ZINC001226263669 817315305 /nfs/dbraw/zinc/31/53/05/817315305.db2.gz FGMJOUHISJUHPW-HNNXBMFYSA-N 1 1 285.391 3.082 20 30 CGEDMO CC[N@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cc2C#N)C1 ZINC001226999118 817530201 /nfs/dbraw/zinc/53/02/01/817530201.db2.gz HNCUJEBZMOPPHA-GFCCVEGCSA-N 1 1 284.281 3.050 20 30 CGEDMO CC[N@H+]1CCC[C@H](Oc2ccc(C(F)(F)F)cc2C#N)C1 ZINC001227000644 817530288 /nfs/dbraw/zinc/53/02/88/817530288.db2.gz IFIIBTXBQKBWOA-ZDUSSCGKSA-N 1 1 298.308 3.440 20 30 CGEDMO C=CCc1ccc(OC2C[NH+](C(C)(C)C)C2)c(OC)c1 ZINC001227926911 817757063 /nfs/dbraw/zinc/75/70/63/817757063.db2.gz LVYBXBWVDBJASQ-UHFFFAOYSA-N 1 1 275.392 3.285 20 30 CGEDMO CCCCCCC[N@@H+](C)CCCNC(=O)c1ccccn1 ZINC001231196549 818056360 /nfs/dbraw/zinc/05/63/60/818056360.db2.gz NIMIPBMUHVPYSU-UHFFFAOYSA-N 1 1 291.439 3.104 20 30 CGEDMO CCCCCCC[N@@H+](C)CCCNC(=O)c1ccco1 ZINC001231258860 818065903 /nfs/dbraw/zinc/06/59/03/818065903.db2.gz NJUTWLPJLUDXON-UHFFFAOYSA-N 1 1 280.412 3.302 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC1CC1 ZINC001231350653 818082677 /nfs/dbraw/zinc/08/26/77/818082677.db2.gz UBLOQNYBSNCJAE-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C(#Cc1ccccc1C[N@H+]1CCCOCC1)c1ccccc1 ZINC001231579217 818128228 /nfs/dbraw/zinc/12/82/28/818128228.db2.gz URFIDDMVFQPYDO-UHFFFAOYSA-N 1 1 291.394 3.309 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](C)C(F)(F)CC1 ZINC001231617110 818138380 /nfs/dbraw/zinc/13/83/80/818138380.db2.gz WKGORGHTSFUGPD-LBPRGKRZSA-N 1 1 294.345 3.434 20 30 CGEDMO C=CCOc1cccc(CN(CCC)CCC[NH+](C)C)c1 ZINC001231624230 818139430 /nfs/dbraw/zinc/13/94/30/818139430.db2.gz JZIDOVWNCMHKJI-UHFFFAOYSA-N 1 1 290.451 3.415 20 30 CGEDMO C=CCOc1cccc(C[N@H+](CCC)CCCN(C)C)c1 ZINC001231624230 818139432 /nfs/dbraw/zinc/13/94/32/818139432.db2.gz JZIDOVWNCMHKJI-UHFFFAOYSA-N 1 1 290.451 3.415 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](CCC)CCCN(C)C)c1 ZINC001231624230 818139435 /nfs/dbraw/zinc/13/94/35/818139435.db2.gz JZIDOVWNCMHKJI-UHFFFAOYSA-N 1 1 290.451 3.415 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCC[C@]3(CCO3)C2)c1 ZINC001231625265 818141065 /nfs/dbraw/zinc/14/10/65/818141065.db2.gz RJQWTPSEIMTHJJ-KRWDZBQOSA-N 1 1 273.376 3.006 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CCCC[C@@H]2CCOC)c1 ZINC001231659516 818152018 /nfs/dbraw/zinc/15/20/18/818152018.db2.gz NXUVXEPPAGYFEU-QGZVFWFLSA-N 1 1 257.377 3.059 20 30 CGEDMO C=CCN1CC[NH+](Cc2ccc(-c3ccccc3)o2)CC1 ZINC001231810969 818183546 /nfs/dbraw/zinc/18/35/46/818183546.db2.gz BYCSCZVXPOLQIF-UHFFFAOYSA-N 1 1 282.387 3.250 20 30 CGEDMO COc1cccc2[nH]cc(C[N@@H+]3[C@@H]4CC[C@H]3C[C@H](C#N)C4)c21 ZINC001232036486 818238086 /nfs/dbraw/zinc/23/80/86/818238086.db2.gz ICDISPVFNFKESY-XMQYKBBCSA-N 1 1 295.386 3.443 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232115004 818258412 /nfs/dbraw/zinc/25/84/12/818258412.db2.gz CKMSYRPCIZUALS-GFCCVEGCSA-N 1 1 273.767 3.337 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232115004 818258415 /nfs/dbraw/zinc/25/84/15/818258415.db2.gz CKMSYRPCIZUALS-GFCCVEGCSA-N 1 1 273.767 3.337 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCCCO3)cc1Cl ZINC001232111567 818258781 /nfs/dbraw/zinc/25/87/81/818258781.db2.gz HMKFFTNEJUILGC-MRXNPFEDSA-N 1 1 290.794 3.357 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)c(Cl)c1)C[C@H]1CCCCO1 ZINC001232114984 818258882 /nfs/dbraw/zinc/25/88/82/818258882.db2.gz BOTFCXDDHGYQMJ-CQSZACIVSA-N 1 1 278.783 3.213 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2ccnc3c(F)cccc23)CC1 ZINC001232211309 818278827 /nfs/dbraw/zinc/27/88/27/818278827.db2.gz BXMGAGNRIBCOCY-CYBMUJFWSA-N 1 1 283.350 3.500 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cc(OC)ccc1OCC ZINC001232383714 818332281 /nfs/dbraw/zinc/33/22/81/818332281.db2.gz HUARSLLKWYRNPY-UHFFFAOYSA-N 1 1 261.365 3.268 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2C#N)CCC[C@]1(C)O ZINC001232604703 818393623 /nfs/dbraw/zinc/39/36/23/818393623.db2.gz FYUWEBBYDQLFLZ-WBMJQRKESA-N 1 1 292.810 3.195 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3cccc4c3CCCC4)CC[C@@H]2S1 ZINC001232635063 818407273 /nfs/dbraw/zinc/40/72/73/818407273.db2.gz DLJFHLCWMLOGJT-KRWDZBQOSA-N 1 1 299.439 3.340 20 30 CGEDMO O=C1C=C2C[N@@H+](Cc3cccc4c3CCCC4)CCC2S1 ZINC001232635063 818407279 /nfs/dbraw/zinc/40/72/79/818407279.db2.gz DLJFHLCWMLOGJT-KRWDZBQOSA-N 1 1 299.439 3.340 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3cccc4c3CCCC4)CCC2S1 ZINC001232635063 818407282 /nfs/dbraw/zinc/40/72/82/818407282.db2.gz DLJFHLCWMLOGJT-KRWDZBQOSA-N 1 1 299.439 3.340 20 30 CGEDMO CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(C#N)ccc1[O-] ZINC001232677956 818417301 /nfs/dbraw/zinc/41/73/01/818417301.db2.gz MJVSEYDNFRJDLJ-UHFFFAOYSA-N 1 1 296.370 3.295 20 30 CGEDMO N#Cc1ccc([O-])c(C[N@H+]2CCC[C@H]2c2nccs2)c1 ZINC001232677192 818417871 /nfs/dbraw/zinc/41/78/71/818417871.db2.gz CDKWLUTVMCTHEQ-ZDUSSCGKSA-N 1 1 285.372 3.057 20 30 CGEDMO N#Cc1ccc([O-])c(CN2CCC[C@H]2c2nccs2)c1 ZINC001232677192 818417873 /nfs/dbraw/zinc/41/78/73/818417873.db2.gz CDKWLUTVMCTHEQ-ZDUSSCGKSA-N 1 1 285.372 3.057 20 30 CGEDMO Cc1c(Cl)nccc1C[NH+]1CCC(C)(C#N)CC1 ZINC001232753250 818434585 /nfs/dbraw/zinc/43/45/85/818434585.db2.gz ITTOSGIQOLRRRJ-UHFFFAOYSA-N 1 1 263.772 3.169 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2cccc(O)c2Cl)CC1 ZINC001232788279 818441405 /nfs/dbraw/zinc/44/14/05/818441405.db2.gz LUBRELIRDPMDHR-NSHDSACASA-N 1 1 264.756 3.171 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2cccc(O)c2Cl)CC1 ZINC001232788279 818441411 /nfs/dbraw/zinc/44/14/11/818441411.db2.gz LUBRELIRDPMDHR-NSHDSACASA-N 1 1 264.756 3.171 20 30 CGEDMO COc1cc(C[NH+]2CCC(C)(C#N)CC2)c(OC)cc1C ZINC001232836488 818451839 /nfs/dbraw/zinc/45/18/39/818451839.db2.gz NAKCOQHGGKBMKY-UHFFFAOYSA-N 1 1 288.391 3.138 20 30 CGEDMO COc1ccccc1[C@H](C)[N@H+](C)Cc1cccc(C#N)n1 ZINC001232925740 818475178 /nfs/dbraw/zinc/47/51/78/818475178.db2.gz MTVPVCIMXZZFPA-ZDUSSCGKSA-N 1 1 281.359 3.155 20 30 CGEDMO COc1ccccc1[C@H](C)[N@@H+](C)Cc1cccc(C#N)n1 ZINC001232925740 818475181 /nfs/dbraw/zinc/47/51/81/818475181.db2.gz MTVPVCIMXZZFPA-ZDUSSCGKSA-N 1 1 281.359 3.155 20 30 CGEDMO N#Cc1ccc2c(c1)CC[N@@H+](Cc1ccc3ncoc3c1)C2 ZINC001232938361 818476599 /nfs/dbraw/zinc/47/65/99/818476599.db2.gz UHZRNTRYWCQASQ-UHFFFAOYSA-N 1 1 289.338 3.258 20 30 CGEDMO N#Cc1ccc2c(c1)CC[N@H+](Cc1ccc3ncoc3c1)C2 ZINC001232938361 818476604 /nfs/dbraw/zinc/47/66/04/818476604.db2.gz UHZRNTRYWCQASQ-UHFFFAOYSA-N 1 1 289.338 3.258 20 30 CGEDMO CCOc1ncc(Cl)cc1C[NH+]1CCC(CC#N)CC1 ZINC001233172542 818535489 /nfs/dbraw/zinc/53/54/89/818535489.db2.gz WRLDEFRZMGSLCP-UHFFFAOYSA-N 1 1 293.798 3.259 20 30 CGEDMO N#Cc1ccc2c(c1)CC[N@H+](Cc1cccc3c1CCO3)C2 ZINC001233274525 818562508 /nfs/dbraw/zinc/56/25/08/818562508.db2.gz UBLLPJKBTSJFDE-UHFFFAOYSA-N 1 1 290.366 3.051 20 30 CGEDMO CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@H](C#N)C2)c1 ZINC001233286137 818568798 /nfs/dbraw/zinc/56/87/98/818568798.db2.gz GXTBCFZKJVOSBL-GFCCVEGCSA-N 1 1 258.365 3.035 20 30 CGEDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CC[C@H](C#N)C2)c1 ZINC001233286137 818568803 /nfs/dbraw/zinc/56/88/03/818568803.db2.gz GXTBCFZKJVOSBL-GFCCVEGCSA-N 1 1 258.365 3.035 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1cc(Cl)cc(OC)c1O ZINC001233289968 818569325 /nfs/dbraw/zinc/56/93/25/818569325.db2.gz ZTWKWHKCJJLOKY-UHFFFAOYSA-N 1 1 282.771 3.180 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1cc(Cl)cc(OC)c1O ZINC001233289968 818569333 /nfs/dbraw/zinc/56/93/33/818569333.db2.gz ZTWKWHKCJJLOKY-UHFFFAOYSA-N 1 1 282.771 3.180 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cc(F)c(F)cc1N ZINC001233382236 818605650 /nfs/dbraw/zinc/60/56/50/818605650.db2.gz MZIRWLYFSXSUSC-UHFFFAOYSA-N 1 1 254.324 3.335 20 30 CGEDMO C=CC[N@H+](Cc1ccc(C(=O)OC)c(OC)c1)C(C)(C)C ZINC001233541983 818636715 /nfs/dbraw/zinc/63/67/15/818636715.db2.gz OGBUIHFKTUKKJQ-UHFFFAOYSA-N 1 1 291.391 3.268 20 30 CGEDMO C[N@H+]1CCC[C@H](Oc2c(Cl)cccc2C#N)CC1 ZINC001233547751 818637265 /nfs/dbraw/zinc/63/72/65/818637265.db2.gz NTBIHBNYVQRKAP-LBPRGKRZSA-N 1 1 264.756 3.075 20 30 CGEDMO C[C@@H](CC(C)(C)S)Oc1ccc2[nH+]ccn2c1 ZINC001233754719 818697957 /nfs/dbraw/zinc/69/79/57/818697957.db2.gz MGJZQCWIYPCBAN-JTQLQIEISA-N 1 1 250.367 3.200 20 30 CGEDMO CCCCCCC[N@@H+](C)CCCNC(=O)c1ccoc1 ZINC001233941564 818736459 /nfs/dbraw/zinc/73/64/59/818736459.db2.gz URUSKGCWGVCEEN-UHFFFAOYSA-N 1 1 280.412 3.302 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N(C)C[C@@H]1CC[N@H+]1CC=C(C)C ZINC001234509657 818870790 /nfs/dbraw/zinc/87/07/90/818870790.db2.gz NOWFIYRVFCCBGR-AWEZNQCLSA-N 1 1 298.858 3.264 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@]1(C)CC=CCC1 ZINC001234529519 818876159 /nfs/dbraw/zinc/87/61/59/818876159.db2.gz ZPUHTLHYJAFKKQ-FUHWJXTLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC(C)(C)CC(=O)N(C)C[C@H]1CC[N@@H+]1C[C@@H](C)CC ZINC001234536678 818876998 /nfs/dbraw/zinc/87/69/98/818876998.db2.gz GQGVQOQSTGOXBD-LSDHHAIUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC/C=C/CC ZINC001234604695 818890429 /nfs/dbraw/zinc/89/04/29/818890429.db2.gz TXVYIFDMCOOOSK-MOEXGYKKSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCCC[N@@H+](C)CCCNC(=O)C=C1CCCCC1 ZINC001235001420 818974128 /nfs/dbraw/zinc/97/41/28/818974128.db2.gz QFGLQWHTDSFZKB-UHFFFAOYSA-N 1 1 278.440 3.281 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCNC(=O)C1CCCCCC1 ZINC001235490792 819109565 /nfs/dbraw/zinc/10/95/65/819109565.db2.gz DLPCRPJBOUCQDZ-UHFFFAOYSA-N 1 1 286.847 3.147 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCNC(=O)C1CCCCCC1 ZINC001235490792 819109569 /nfs/dbraw/zinc/10/95/69/819109569.db2.gz DLPCRPJBOUCQDZ-UHFFFAOYSA-N 1 1 286.847 3.147 20 30 CGEDMO CC[N@H+](CCC#N)Cc1ccccc1-c1ccncc1 ZINC001235615904 819126923 /nfs/dbraw/zinc/12/69/23/819126923.db2.gz GOJRXWLAZURPMN-UHFFFAOYSA-N 1 1 265.360 3.484 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1ccccc1-c1ccncc1 ZINC001235615904 819126924 /nfs/dbraw/zinc/12/69/24/819126924.db2.gz GOJRXWLAZURPMN-UHFFFAOYSA-N 1 1 265.360 3.484 20 30 CGEDMO N#Cc1cc(F)c(C[N@@H+]2CC[C@H](c3ccncc3)C2)c(F)c1 ZINC001235657092 819130496 /nfs/dbraw/zinc/13/04/96/819130496.db2.gz KYINFEYNHBLPGS-AWEZNQCLSA-N 1 1 299.324 3.221 20 30 CGEDMO N#Cc1cc(F)c(C[N@H+]2CC[C@H](c3ccncc3)C2)c(F)c1 ZINC001235657092 819130499 /nfs/dbraw/zinc/13/04/99/819130499.db2.gz KYINFEYNHBLPGS-AWEZNQCLSA-N 1 1 299.324 3.221 20 30 CGEDMO N#Cc1cc(F)c(C[N@H+]2CCC[C@H](F)CC2)c(F)c1 ZINC001235650205 819130916 /nfs/dbraw/zinc/13/09/16/819130916.db2.gz CRQQOOSSHLCKKP-NSHDSACASA-N 1 1 268.282 3.160 20 30 CGEDMO N#Cc1cc(F)c(C[N@@H+]2CCC[C@H](F)CC2)c(F)c1 ZINC001235650205 819130917 /nfs/dbraw/zinc/13/09/17/819130917.db2.gz CRQQOOSSHLCKKP-NSHDSACASA-N 1 1 268.282 3.160 20 30 CGEDMO CCCCCCCC[N@@H+](C)C[C@@H]1CNC(C)(C)O1 ZINC001235664375 819131718 /nfs/dbraw/zinc/13/17/18/819131718.db2.gz SEQGVLCFPBTEET-AWEZNQCLSA-N 1 1 256.434 3.003 20 30 CGEDMO CCCCCCCCN(C)C[C@@H]1C[NH2+]C(C)(C)O1 ZINC001235664375 819131721 /nfs/dbraw/zinc/13/17/21/819131721.db2.gz SEQGVLCFPBTEET-AWEZNQCLSA-N 1 1 256.434 3.003 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2c(F)cc(C#N)cc2F)C2(CC2)C1 ZINC001235665254 819131729 /nfs/dbraw/zinc/13/17/29/819131729.db2.gz UKCXDHNLANFINU-JTQLQIEISA-N 1 1 262.303 3.211 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2c(F)cc(C#N)cc2F)C2(CC2)C1 ZINC001235665254 819131731 /nfs/dbraw/zinc/13/17/31/819131731.db2.gz UKCXDHNLANFINU-JTQLQIEISA-N 1 1 262.303 3.211 20 30 CGEDMO N#CCCN(CC1(F)CC[NH2+]CC1)C1CCCCCCC1 ZINC001235662912 819132043 /nfs/dbraw/zinc/13/20/43/819132043.db2.gz DSIZBLYULHSMAD-UHFFFAOYSA-N 1 1 295.446 3.407 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C1(C2CC2)CC1 ZINC001235682309 819139945 /nfs/dbraw/zinc/13/99/45/819139945.db2.gz CFEQNBFZZLUHAX-GDBMZVCRSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCCCC[N@@H+]1CCNC[C@@H]1c1cccs1 ZINC001236112316 819326179 /nfs/dbraw/zinc/32/61/79/819326179.db2.gz CMSVAHOWAQBYJQ-CYBMUJFWSA-N 1 1 250.411 3.051 20 30 CGEDMO C=CCCCC[N@H+]1CCNC[C@@H]1c1cccs1 ZINC001236112316 819326187 /nfs/dbraw/zinc/32/61/87/819326187.db2.gz CMSVAHOWAQBYJQ-CYBMUJFWSA-N 1 1 250.411 3.051 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cc(F)cc3c2OCCC3)C1 ZINC001236623596 819555378 /nfs/dbraw/zinc/55/53/78/819555378.db2.gz PGRHISZQMKJPPQ-ZDUSSCGKSA-N 1 1 288.366 3.276 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2cc(F)cc3c2OCCC3)C1 ZINC001236623596 819555381 /nfs/dbraw/zinc/55/53/81/819555381.db2.gz PGRHISZQMKJPPQ-ZDUSSCGKSA-N 1 1 288.366 3.276 20 30 CGEDMO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CC#N)C2)n1 ZINC001236642802 819558289 /nfs/dbraw/zinc/55/82/89/819558289.db2.gz JPRSAWAMUFGPHX-GFCCVEGCSA-N 1 1 263.772 3.169 20 30 CGEDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](CC#N)C2)n1 ZINC001236642802 819558291 /nfs/dbraw/zinc/55/82/91/819558291.db2.gz JPRSAWAMUFGPHX-GFCCVEGCSA-N 1 1 263.772 3.169 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1c(O)cc(OC)cc1Cl ZINC001236802021 819599799 /nfs/dbraw/zinc/59/97/99/819599799.db2.gz GHIQFVXNQKKILT-UHFFFAOYSA-N 1 1 269.772 3.452 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccc(C#N)c(Br)c2)C1 ZINC001236858348 819624606 /nfs/dbraw/zinc/62/46/06/819624606.db2.gz VLULPWWSDNZUJO-JTQLQIEISA-N 1 1 279.181 3.163 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](Cc2ccc(F)c3ccoc32)C1 ZINC001236901932 819635218 /nfs/dbraw/zinc/63/52/18/819635218.db2.gz RSCHXXNGNGXZLH-HNNXBMFYSA-N 1 1 258.296 3.307 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(F)c3ccoc32)C1 ZINC001236901932 819635221 /nfs/dbraw/zinc/63/52/21/819635221.db2.gz RSCHXXNGNGXZLH-HNNXBMFYSA-N 1 1 258.296 3.307 20 30 CGEDMO C#CC[N@@H+](C)Cc1ccc(-c2ccc(Cl)cc2)nc1 ZINC001237008720 819643907 /nfs/dbraw/zinc/64/39/07/819643907.db2.gz JQEKTFLODRGHOO-UHFFFAOYSA-N 1 1 270.763 3.467 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(-c2ccc(Cl)cc2)nc1 ZINC001237008720 819643909 /nfs/dbraw/zinc/64/39/09/819643909.db2.gz JQEKTFLODRGHOO-UHFFFAOYSA-N 1 1 270.763 3.467 20 30 CGEDMO C#CC[N@H+](C)Cc1cccc2cc(Br)cnc21 ZINC001237137532 819675176 /nfs/dbraw/zinc/67/51/76/819675176.db2.gz YJWCOLJOWXOWIB-UHFFFAOYSA-N 1 1 289.176 3.062 20 30 CGEDMO Cn1cc(C[N@H+]2CCC3(CC3)C2)c2cc(C#N)ccc21 ZINC001237464344 819757777 /nfs/dbraw/zinc/75/77/77/819757777.db2.gz CMUNXLFDCVVDEC-UHFFFAOYSA-N 1 1 265.360 3.036 20 30 CGEDMO COC[C@H]1CCCC[N@H+]1Cc1cn(C)c2ccc(C#N)cc12 ZINC001237468393 819759430 /nfs/dbraw/zinc/75/94/30/819759430.db2.gz MOCMODZFDIOGBE-MRXNPFEDSA-N 1 1 297.402 3.051 20 30 CGEDMO C[N@H+](Cc1cc(C#N)c(F)cc1F)C[C@H]1CC1(C)C ZINC001237530969 819771540 /nfs/dbraw/zinc/77/15/40/819771540.db2.gz URIJNBPJXGZYOP-GFCCVEGCSA-N 1 1 264.319 3.314 20 30 CGEDMO C#CC[N@@H+](Cc1c[nH]nc1CC)[C@@H]1CCc2ccccc21 ZINC001237651451 819799883 /nfs/dbraw/zinc/79/98/83/819799883.db2.gz QNKCFXPKFIDBAD-GOSISDBHSA-N 1 1 279.387 3.095 20 30 CGEDMO C#CC[N@H+](Cc1c[nH]nc1CC)[C@@H]1CCc2ccccc21 ZINC001237651451 819799886 /nfs/dbraw/zinc/79/98/86/819799886.db2.gz QNKCFXPKFIDBAD-GOSISDBHSA-N 1 1 279.387 3.095 20 30 CGEDMO C#CC[N@@H+](C)Cc1c(C)nc2ccc(-c3ccccc3)cn21 ZINC001237660674 819801800 /nfs/dbraw/zinc/80/18/00/819801800.db2.gz UVFPNAWUBOGTQN-UHFFFAOYSA-N 1 1 289.382 3.375 20 30 CGEDMO C#CC[N@H+](C)Cc1c(C)nc2ccc(-c3ccccc3)cn21 ZINC001237660674 819801805 /nfs/dbraw/zinc/80/18/05/819801805.db2.gz UVFPNAWUBOGTQN-UHFFFAOYSA-N 1 1 289.382 3.375 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(C)c(C)cc2OC)C1 ZINC001238768612 820113066 /nfs/dbraw/zinc/11/30/66/820113066.db2.gz YHFJLOXFYDBIME-OAHLLOKOSA-N 1 1 257.377 3.157 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cc(Cl)c(OC)cc2F)C1 ZINC001238795360 820124887 /nfs/dbraw/zinc/12/48/87/820124887.db2.gz UBOQOODCJRHSDZ-NSHDSACASA-N 1 1 281.758 3.333 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(Cl)c(OC)cc2F)C1 ZINC001238795360 820124894 /nfs/dbraw/zinc/12/48/94/820124894.db2.gz UBOQOODCJRHSDZ-NSHDSACASA-N 1 1 281.758 3.333 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1c1ccc(C2=CCOC2)cc1 ZINC001239493781 820344181 /nfs/dbraw/zinc/34/41/81/820344181.db2.gz DJASXSKUXZPUBQ-QGZVFWFLSA-N 1 1 255.361 3.423 20 30 CGEDMO N#CCc1cc(C2=CCC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC001240386433 821013142 /nfs/dbraw/zinc/01/31/42/821013142.db2.gz CIFSZWTYSCHMIZ-UHFFFAOYSA-N 1 1 289.382 3.437 20 30 CGEDMO C[NH+](C)/C=C/c1ccncc1C1=CC(=O)CC(C)(C)C1 ZINC001242317811 822950573 /nfs/dbraw/zinc/95/05/73/822950573.db2.gz BVMKODZCMZHHMF-SOFGYWHQSA-N 1 1 270.376 3.386 20 30 CGEDMO C#CCC[N@H+](C)CCCN(C)C(=O)C1CCC(C)(C)CC1 ZINC001327291619 935052699 /nfs/dbraw/zinc/05/26/99/935052699.db2.gz QVRCKQCVSLKARR-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO C[C@H](CO)[N@@H+](Cc1csc(C#N)c1)Cc1ccccc1 ZINC001335420763 936144507 /nfs/dbraw/zinc/14/45/07/936144507.db2.gz IBPMCGZOCDHKMV-CYBMUJFWSA-N 1 1 286.400 3.003 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OC)c(COCC)c1)CC1CC1 ZINC001341604696 936444128 /nfs/dbraw/zinc/44/41/28/936444128.db2.gz LVERPFDGMSCHBV-UHFFFAOYSA-N 1 1 287.403 3.077 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)[C@H](C)C1CCCC1 ZINC001479857992 936826844 /nfs/dbraw/zinc/82/68/44/936826844.db2.gz OGMGVVCRUVBNLC-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C[C@H](C(=O)NCCCCn1cc[nH+]c1C)c1ccccc1 ZINC001346518138 936851131 /nfs/dbraw/zinc/85/11/31/936851131.db2.gz IPBZNEQKNYICTI-KRWDZBQOSA-N 1 1 297.402 3.058 20 30 CGEDMO CC(C)(C#N)c1ccc(CN2CCC[N@H+]3CCC[C@H]3C2)cc1 ZINC001346503182 936851254 /nfs/dbraw/zinc/85/12/54/936851254.db2.gz QYZCTBIJIZHXBW-SFHVURJKSA-N 1 1 297.446 3.158 20 30 CGEDMO C=C(CC)C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001347949693 936903398 /nfs/dbraw/zinc/90/33/98/936903398.db2.gz CJQWVSCRPRJINP-INIZCTEOSA-N 1 1 286.419 3.076 20 30 CGEDMO C=C[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1C1CC1)c1ccccc1 ZINC001348516223 936924606 /nfs/dbraw/zinc/92/46/06/936924606.db2.gz BQQOHQFYLZNGIU-QZTJIDSGSA-N 1 1 298.430 3.089 20 30 CGEDMO C=CCC1(O)CCN(c2[nH+]ccc3c(C)cccc32)CC1 ZINC001350045458 936975078 /nfs/dbraw/zinc/97/50/78/936975078.db2.gz JWMQNPOFXAQDIE-UHFFFAOYSA-N 1 1 282.387 3.451 20 30 CGEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2C[C@@H]2C#N)cc1 ZINC001350859987 937001771 /nfs/dbraw/zinc/00/17/71/937001771.db2.gz YHCMRBGXPKXXTG-YSVLISHTSA-N 1 1 297.402 3.159 20 30 CGEDMO N#CC1(C[NH2+][C@H]2CCc3nc(Cl)ccc32)CCC1 ZINC001353933749 937083350 /nfs/dbraw/zinc/08/33/50/937083350.db2.gz ZCAAJPGSSWPEQV-NSHDSACASA-N 1 1 261.756 3.006 20 30 CGEDMO CCC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(CCC#N)cc1 ZINC001354281424 937097409 /nfs/dbraw/zinc/09/74/09/937097409.db2.gz HZGNZXPKPNNJDE-KRWDZBQOSA-N 1 1 299.418 3.346 20 30 CGEDMO C=CC(C)(C)CC(=O)NCC[N@H+](C)Cc1cccc(C)c1 ZINC001480869378 926692887 /nfs/dbraw/zinc/69/28/87/926692887.db2.gz IIFUDRPYKZNKBY-UHFFFAOYSA-N 1 1 288.435 3.145 20 30 CGEDMO N#Cc1ccc(Cl)c(C[N@H+]2CCC3(C2)CCOCC3)c1 ZINC001140601307 926802020 /nfs/dbraw/zinc/80/20/20/926802020.db2.gz MRABYJRHUVLWCO-UHFFFAOYSA-N 1 1 290.794 3.214 20 30 CGEDMO C=CCCC(=O)NCC[N@H+](CC)[C@H](C)c1ccccc1F ZINC001480964145 926848362 /nfs/dbraw/zinc/84/83/62/926848362.db2.gz LJCOURIGFXYDGJ-CQSZACIVSA-N 1 1 292.398 3.291 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC[N@H+](CC)Cc1ccsc1 ZINC001480992216 926853571 /nfs/dbraw/zinc/85/35/71/926853571.db2.gz NECWETVWJOJDEK-UHFFFAOYSA-N 1 1 294.464 3.289 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C1(CF)CCC1 ZINC001481057259 926875680 /nfs/dbraw/zinc/87/56/80/926875680.db2.gz GDLUZQCLFRABTJ-LSDHHAIUSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001481093830 926883504 /nfs/dbraw/zinc/88/35/04/926883504.db2.gz KGJKIAMKABPEKZ-OAHLLOKOSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)C(CC)CC)C1 ZINC001481099991 926885043 /nfs/dbraw/zinc/88/50/43/926885043.db2.gz WHKZKUXJZFFWRL-CABCVRRESA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[N@H+](CCNC(=O)C1(CC)CCCC1)C1CC1 ZINC001481192188 926905516 /nfs/dbraw/zinc/90/55/16/926905516.db2.gz PYYZJXNFOBXEAO-UHFFFAOYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)CC2CCCC2)C1 ZINC001481474475 926995391 /nfs/dbraw/zinc/99/53/91/926995391.db2.gz BDLGUDYNIWRTRT-KRWDZBQOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)CC2CCCC2)C1 ZINC001481474476 926995636 /nfs/dbraw/zinc/99/56/36/926995636.db2.gz BDLGUDYNIWRTRT-QGZVFWFLSA-N 1 1 292.467 3.313 20 30 CGEDMO C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(CCC)CCC)C1 ZINC001481499063 927003086 /nfs/dbraw/zinc/00/30/86/927003086.db2.gz VEPIWUAAUSIYDV-INIZCTEOSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001481497135 927003466 /nfs/dbraw/zinc/00/34/66/927003466.db2.gz KTNJTTBQVFKBQN-QGZVFWFLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@@H](C)[NH+]1CC(NC(=O)c2sccc2CC)C1 ZINC001481602931 927037915 /nfs/dbraw/zinc/03/79/15/927037915.db2.gz MMUAMHJSUFLYRH-GFCCVEGCSA-N 1 1 292.448 3.079 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H](CCCCC)C(C)C)C1 ZINC001481708085 927067663 /nfs/dbraw/zinc/06/76/63/927067663.db2.gz ZHTWKPOZHYPVGQ-HZPDHXFCSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)CC2CCC2)C1 ZINC001481760568 927082052 /nfs/dbraw/zinc/08/20/52/927082052.db2.gz ABICNKBQSQGKRN-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC001502134695 927248660 /nfs/dbraw/zinc/24/86/60/927248660.db2.gz ACPYJDHJHXJEJA-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)c1ccccc1F ZINC001482576069 927300493 /nfs/dbraw/zinc/30/04/93/927300493.db2.gz AGCZRJOQYOHVIW-AWEZNQCLSA-N 1 1 292.398 3.184 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)[C@H]1CCC(C)=C(C)C1 ZINC001482598021 927317644 /nfs/dbraw/zinc/31/76/44/927317644.db2.gz FGKAJLXETBAXNV-KRWDZBQOSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)c1ccc2c(c1)CCC=C2 ZINC001482643186 927335305 /nfs/dbraw/zinc/33/53/05/927335305.db2.gz IIPJVHDACRMWGA-UHFFFAOYSA-N 1 1 298.430 3.226 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CCC2CC2)C1 ZINC001482659600 927340073 /nfs/dbraw/zinc/34/00/73/927340073.db2.gz PMJDJWVZOXIZBS-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)CCCC)CC[C@@H]21 ZINC001482658444 927340684 /nfs/dbraw/zinc/34/06/84/927340684.db2.gz TWOJMXQRLKRJKH-HOTGVXAUSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCCC)C1 ZINC001483802304 927624360 /nfs/dbraw/zinc/62/43/60/927624360.db2.gz PEUMPPSERGRRSC-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCCC(=O)N1CC[C@]2(CC[N@H+](C[C@@H](C)CC)C2)C1 ZINC001483846157 927633631 /nfs/dbraw/zinc/63/36/31/927633631.db2.gz UFCJBWIJNSGUGU-WMZOPIPTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CCC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccsc2)C1 ZINC001484047430 927666758 /nfs/dbraw/zinc/66/67/58/927666758.db2.gz BOVWSCQMRCPNTB-INIZCTEOSA-N 1 1 292.448 3.185 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@](C)(NC(=O)[C@H](F)CC)C1 ZINC001484055548 927668745 /nfs/dbraw/zinc/66/87/45/927668745.db2.gz ZJDUIQJGXBUPBK-ZBFHGGJFSA-N 1 1 284.419 3.062 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@]1(C)CCC[N@@H+](CCCF)C1 ZINC001484169267 927687388 /nfs/dbraw/zinc/68/73/88/927687388.db2.gz ARSCYBNYFOSQAI-KRWDZBQOSA-N 1 1 298.446 3.167 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@](C)(CNC(=O)C2(CC)CC2)C1 ZINC001484167924 927687785 /nfs/dbraw/zinc/68/77/85/927687785.db2.gz INJBIYGLAYKSEE-HNNXBMFYSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)C2(CC)CC2)C1 ZINC001484167924 927687795 /nfs/dbraw/zinc/68/77/95/927687795.db2.gz INJBIYGLAYKSEE-HNNXBMFYSA-N 1 1 298.858 3.147 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC=C(C)C ZINC001484462141 927708678 /nfs/dbraw/zinc/70/86/78/927708678.db2.gz LRRXCJXKRMXWSG-IRXDYDNUSA-N 1 1 290.451 3.374 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)c1c[nH]c2ccccc12 ZINC001484749267 927752077 /nfs/dbraw/zinc/75/20/77/927752077.db2.gz DRCGBGMJGOSZEZ-UHFFFAOYSA-N 1 1 299.418 3.138 20 30 CGEDMO C=CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CC=CCC2)CC1 ZINC001485029493 927789230 /nfs/dbraw/zinc/78/92/30/927789230.db2.gz UGFAIXZTBBMWPL-QGZVFWFLSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C1CCC1 ZINC001485048037 927794661 /nfs/dbraw/zinc/79/46/61/927794661.db2.gz RXCYZJXAHCYTLN-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)C=C(CC)CC ZINC001485052888 927794964 /nfs/dbraw/zinc/79/49/64/927794964.db2.gz LCGXYNYUYSREQH-OAHLLOKOSA-N 1 1 298.858 3.408 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)C=C(CC)CC ZINC001485052888 927794972 /nfs/dbraw/zinc/79/49/72/927794972.db2.gz LCGXYNYUYSREQH-OAHLLOKOSA-N 1 1 298.858 3.408 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)C1(CC)CCCC1 ZINC001485073839 927805182 /nfs/dbraw/zinc/80/51/82/927805182.db2.gz WBEAQRBZXVMHST-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@H](C)[N@@H+](C)CC1CC(C)C1 ZINC001485306656 927849594 /nfs/dbraw/zinc/84/95/94/927849594.db2.gz NGJGDGRUMFEVSR-SLTAFYQDSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H](C)[N@@H+](C)CC1CC(C)C1 ZINC001485359381 927855392 /nfs/dbraw/zinc/85/53/92/927855392.db2.gz WSFHPNICQUCHIG-SHARSMKWSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)C[C@@H](C)c1ccccc1 ZINC001485382134 927861436 /nfs/dbraw/zinc/86/14/36/927861436.db2.gz SKMFKOOHTVUZPO-CVEARBPZSA-N 1 1 288.435 3.193 20 30 CGEDMO C=CCC1(C(=O)NC[C@H](C)[N@H+](C)CCC)CCCCC1 ZINC001485389279 927862710 /nfs/dbraw/zinc/86/27/10/927862710.db2.gz POMDOFRDQZDTFU-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)CC ZINC001485474087 927874922 /nfs/dbraw/zinc/87/49/22/927874922.db2.gz LKGZNVWTKMSLAG-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CCCCCC(=O)NC[C@@H]1CCCCC[N@@H+]1CCC=C ZINC001485478471 927875658 /nfs/dbraw/zinc/87/56/58/927875658.db2.gz VAFUZUZNCLOSJA-KRWDZBQOSA-N 1 1 290.451 3.117 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)[C@H](C)C2CCC2)C(C)(C)C1 ZINC001485569135 927887904 /nfs/dbraw/zinc/88/79/04/927887904.db2.gz GJMMKLRPSFHIGP-ZBFHGGJFSA-N 1 1 292.467 3.215 20 30 CGEDMO C#CCC[N@H+](C)C1CCN(C(=O)[C@@H](CCC)C(C)C)CC1 ZINC001485764397 927916438 /nfs/dbraw/zinc/91/64/38/927916438.db2.gz PTXHOKLIWDEEFR-KRWDZBQOSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)CCC)[C@@H]1C ZINC001486180400 927997974 /nfs/dbraw/zinc/99/79/74/927997974.db2.gz MLLUYBTZVGAVQE-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO CC[C@H]1C[C@@H]([N@@H+](CCC#N)C2CCCC2)CCO1 ZINC001170217508 928118209 /nfs/dbraw/zinc/11/82/09/928118209.db2.gz BJJXBSSAZVVFRN-GJZGRUSLSA-N 1 1 250.386 3.102 20 30 CGEDMO C=C(C)C[N@H+]1CCC2(CN(C(=O)CCCC(C)(C)C)C2)C1 ZINC001147217904 928209219 /nfs/dbraw/zinc/20/92/19/928209219.db2.gz HNEXXABJTDIXAB-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C#CC[N@@H+](C[C@H]1CC[C@H](c2ccccc2)O1)C(C)C ZINC001198027653 928270430 /nfs/dbraw/zinc/27/04/30/928270430.db2.gz RNDMUOUYVRZLAD-IAGOWNOFSA-N 1 1 257.377 3.250 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CC[C@H](C)CC)[C@H]1C ZINC001489299044 928324580 /nfs/dbraw/zinc/32/45/80/928324580.db2.gz YGIUHYBPFFPQAG-OAGGEKHMSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)C[C@H]1CCCC[C@@H]1C)C1CC1 ZINC001490392933 928349898 /nfs/dbraw/zinc/34/98/98/928349898.db2.gz JYAIKQKWDOJNLB-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CCC[N@H+](CC(CC)CC)C1 ZINC001490438490 928359559 /nfs/dbraw/zinc/35/95/59/928359559.db2.gz PTFCSGXVXBGVBQ-INIZCTEOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)CSCCC)C1 ZINC001490431606 928363957 /nfs/dbraw/zinc/36/39/57/928363957.db2.gz VFVRFUHCIPDSGY-HUUCEWRRSA-N 1 1 298.496 3.065 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)c2cscc2C)C1 ZINC001490531125 928365782 /nfs/dbraw/zinc/36/57/82/928365782.db2.gz WGTKDSGVEVSIIZ-KBPBESRZSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C2=CCCCCC2)C1 ZINC001490537492 928367205 /nfs/dbraw/zinc/36/72/05/928367205.db2.gz ZCTJSPCEDXOOEC-NVXWUHKLSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)C)C1 ZINC001490522007 928371336 /nfs/dbraw/zinc/37/13/36/928371336.db2.gz CTEZIYWEDULAFP-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)C(C)C)C1 ZINC001490757875 928388400 /nfs/dbraw/zinc/38/84/00/928388400.db2.gz DBTXJDNYFHRDGP-OAHLLOKOSA-N 1 1 280.456 3.025 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)[C@]1(C)CCC[C@@H]1CC ZINC001320021571 928486910 /nfs/dbraw/zinc/48/69/10/928486910.db2.gz QVMDOHVKVIHOIN-DOTOQJQBSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)C[C@@H]1CCC[C@@H]1C ZINC001319998825 928487690 /nfs/dbraw/zinc/48/76/90/928487690.db2.gz DHOIRMZOXFOSHE-HOTGVXAUSA-N 1 1 280.456 3.169 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CCCCC3)C1 ZINC001460289440 928744303 /nfs/dbraw/zinc/74/43/03/928744303.db2.gz KEWLHPYCXPWIMN-IRXDYDNUSA-N 1 1 275.436 3.461 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CCCCC3)C1 ZINC001460289427 928744375 /nfs/dbraw/zinc/74/43/75/928744375.db2.gz KEWLHPYCXPWIMN-IAGOWNOFSA-N 1 1 275.436 3.461 20 30 CGEDMO C[C@@H](CC#N)[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC001461724711 928760624 /nfs/dbraw/zinc/76/06/24/928760624.db2.gz QICVDJJUDCVWCQ-QMMMGPOBSA-N 1 1 260.234 3.236 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCC(C)C)C1 ZINC001490980850 928822643 /nfs/dbraw/zinc/82/26/43/928822643.db2.gz MAQQUBVCJBYMEI-IRXDYDNUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@H](F)CC)C1 ZINC001491117488 928834724 /nfs/dbraw/zinc/83/47/24/928834724.db2.gz IDQNVUIMNHNPNP-LSDHHAIUSA-N 1 1 298.446 3.165 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](CC)CC(C)C)C1 ZINC001491125958 928834867 /nfs/dbraw/zinc/83/48/67/928834867.db2.gz RTMSUWTXHNEFSF-CVEARBPZSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)/C(C)=C/CC ZINC001491199240 928841883 /nfs/dbraw/zinc/84/18/83/928841883.db2.gz GVEFVASSEQHNFD-AHQMPEJBSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C/C=C(/C)C=C ZINC001491219391 928845532 /nfs/dbraw/zinc/84/55/32/928845532.db2.gz QXAGCFGNKGNXKH-ZFOVBUMHSA-N 1 1 290.451 3.446 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)CCCC ZINC001491206015 928846052 /nfs/dbraw/zinc/84/60/52/928846052.db2.gz HWZBVUOEMOYPFV-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)CCC(C)(C)C ZINC001491229577 928847816 /nfs/dbraw/zinc/84/78/16/928847816.db2.gz IPMSKZBCEKPWEH-HOTGVXAUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C/C=C(/C)C=C)C1 ZINC001491292866 928853779 /nfs/dbraw/zinc/85/37/79/928853779.db2.gz NSZNYKMODDTCAW-GNBKXHOFSA-N 1 1 290.451 3.302 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CC(C)(C)C)C1 ZINC001491285866 928854335 /nfs/dbraw/zinc/85/43/35/928854335.db2.gz XIJAMZBKBYDAJR-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC1(CC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CCCCC1 ZINC001445778252 937359540 /nfs/dbraw/zinc/35/95/40/937359540.db2.gz CGIUGOZKBVGDTH-GDBMZVCRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[C@@H](CC)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001448567175 937376109 /nfs/dbraw/zinc/37/61/09/937376109.db2.gz WNHJJXPXMDKLHS-ZBFHGGJFSA-N 1 1 278.440 3.254 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)[C@@H](C)c1cccc(C)c1 ZINC001448883517 937377523 /nfs/dbraw/zinc/37/75/23/937377523.db2.gz OMWJASSXGNNKGT-INIZCTEOSA-N 1 1 288.435 3.065 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)C1(C)CCCCCC1 ZINC001448885749 937377621 /nfs/dbraw/zinc/37/76/21/937377621.db2.gz YEZOVCSCSCSTDK-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C#CCOCC[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1 ZINC001459373635 937486861 /nfs/dbraw/zinc/48/68/61/937486861.db2.gz HWVGRDBHMXLPRI-UHFFFAOYSA-N 1 1 297.373 3.478 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](C[C@@H](C)C2CCCCC2)C1 ZINC001459820097 937501937 /nfs/dbraw/zinc/50/19/37/937501937.db2.gz QCXNTIWWFRDGOR-ZBFHGGJFSA-N 1 1 251.414 3.480 20 30 CGEDMO C=CC[C@H]([NH2+][C@H]1CCC[C@H]1CCCC)C(=O)OC ZINC001459906678 937505620 /nfs/dbraw/zinc/50/56/20/937505620.db2.gz WLVQVGOCARGBLF-RDBSUJKOSA-N 1 1 253.386 3.053 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)C[C@H](O)c1cc(C)cc(C)c1 ZINC001460070690 937513989 /nfs/dbraw/zinc/51/39/89/937513989.db2.gz MFTJXQVKDDAKBU-FQEVSTJZSA-N 1 1 293.410 3.472 20 30 CGEDMO CC#CC[N@@H+]1C[C@@H](C)CC[C@@H]1c1ccccc1OC ZINC001460086545 937514764 /nfs/dbraw/zinc/51/47/64/937514764.db2.gz VDRCDTDZPAFYIT-GOEBONIOSA-N 1 1 257.377 3.492 20 30 CGEDMO CO[C@H](C[N@@H+](C)CCc1cccc(C#N)c1)c1ccccc1 ZINC001460665931 937539138 /nfs/dbraw/zinc/53/91/38/937539138.db2.gz UJWOXLMTQZDJCE-LJQANCHMSA-N 1 1 294.398 3.420 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](c2cccc(OC)c2)C1(C)C ZINC001460716259 937541785 /nfs/dbraw/zinc/54/17/85/937541785.db2.gz DZWMBPIXZHWQDD-INIZCTEOSA-N 1 1 257.377 3.286 20 30 CGEDMO C[C@@H]1Cc2n[nH]cc2C[N@H+](CCCCC2(C#N)CCC2)C1 ZINC001460781786 937544744 /nfs/dbraw/zinc/54/47/44/937544744.db2.gz ZANIBGONGAXGEQ-CQSZACIVSA-N 1 1 286.423 3.268 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1nccn1CC(F)F ZINC001460887326 937550832 /nfs/dbraw/zinc/55/08/32/937550832.db2.gz RPDLAGMDODJYST-GFCCVEGCSA-N 1 1 269.339 3.079 20 30 CGEDMO N#Cc1ccnc(-c2ccc(C[N@H+]3C[C@@H]4C[C@@H]4C3)cc2)c1 ZINC001139402557 931952725 /nfs/dbraw/zinc/95/27/25/931952725.db2.gz UDORNMVSJHNYCU-CALCHBBNSA-N 1 1 275.355 3.072 20 30 CGEDMO N#Cc1ccc(Cl)c(C[N@@H+]2CCC[C@H](CF)C2)c1 ZINC001140601332 931959111 /nfs/dbraw/zinc/95/91/11/931959111.db2.gz NMJAFROSJBCILX-GFCCVEGCSA-N 1 1 266.747 3.393 20 30 CGEDMO CCO[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2Cl)C1 ZINC001140601526 931959177 /nfs/dbraw/zinc/95/91/77/931959177.db2.gz RWJODJSYZGPCSZ-CQSZACIVSA-N 1 1 278.783 3.213 20 30 CGEDMO CCO[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Cl)C1 ZINC001140601526 931959187 /nfs/dbraw/zinc/95/91/87/931959187.db2.gz RWJODJSYZGPCSZ-CQSZACIVSA-N 1 1 278.783 3.213 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001460912110 937552489 /nfs/dbraw/zinc/55/24/89/937552489.db2.gz YMMSKINVMUSLAI-RBSFLKMASA-N 1 1 294.439 3.140 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(c2ccccc2OC)CC1 ZINC001460929513 937553340 /nfs/dbraw/zinc/55/33/40/937553340.db2.gz LJBSHBIGYDGHRM-UHFFFAOYSA-N 1 1 274.408 3.174 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1cccc(C2CC2)c1 ZINC001157166089 931979759 /nfs/dbraw/zinc/97/97/59/931979759.db2.gz YXHCFHPYIKHMQN-CQSZACIVSA-N 1 1 286.419 3.190 20 30 CGEDMO C=CC[NH+](CC=C)Cc1ccc(C(=O)OC)cc1OCC ZINC001209688793 932009277 /nfs/dbraw/zinc/00/92/77/932009277.db2.gz WEXDLQMIMAQXOF-UHFFFAOYSA-N 1 1 289.375 3.046 20 30 CGEDMO C=CCN1CC[C@@H]([N@H+]2CCCCC23CCCCCC3)C1=O ZINC001460958114 937556562 /nfs/dbraw/zinc/55/65/62/937556562.db2.gz LMPUUEMFOGDVQJ-MRXNPFEDSA-N 1 1 290.451 3.352 20 30 CGEDMO C=CC[C@H]1CC[C@@H]([NH2+]CCCN2CCC(C)CC2)C1 ZINC001461014140 937559760 /nfs/dbraw/zinc/55/97/60/937559760.db2.gz QAQREWWIYCYFNZ-DLBZAZTESA-N 1 1 264.457 3.443 20 30 CGEDMO C[C@H]([N@@H+](C)Cc1cc(C#N)ccc1N(C)C)C1(C)CC1 ZINC001461884138 937604034 /nfs/dbraw/zinc/60/40/34/937604034.db2.gz XOIXGIRIBWUYCS-ZDUSSCGKSA-N 1 1 271.408 3.245 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H](Oc2ccccc2CC#N)C1 ZINC001230275668 932551152 /nfs/dbraw/zinc/55/11/52/932551152.db2.gz DJFLIFCERLXMOD-HNNXBMFYSA-N 1 1 258.365 3.004 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@H](C)CC)CC1 ZINC001230558039 932588522 /nfs/dbraw/zinc/58/85/22/932588522.db2.gz UZZVODZFFZTTFC-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CCC(=O)N1CCC([C@H]2CCC[N@@H+]2CCC)CC1 ZINC001230572753 932591272 /nfs/dbraw/zinc/59/12/72/932591272.db2.gz SYJQOPXEQHQRRR-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC)CC1 ZINC001230606056 932596798 /nfs/dbraw/zinc/59/67/98/932596798.db2.gz USASROPIXDFTQT-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)c1occc1C ZINC001230762010 932619969 /nfs/dbraw/zinc/61/99/69/932619969.db2.gz DVZYYPUJVWRVLO-GJZGRUSLSA-N 1 1 290.407 3.089 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)/C(C)=C/CC ZINC001231004671 932656189 /nfs/dbraw/zinc/65/61/89/932656189.db2.gz MQIZUSAOFQFYJI-IYSULOHHSA-N 1 1 278.440 3.230 20 30 CGEDMO C#Cc1ccc(-c2cc(N)c(C(F)(F)F)c[nH+]2)cc1 ZINC001242293017 932702826 /nfs/dbraw/zinc/70/28/26/932702826.db2.gz PNLWLARIHLSQEE-UHFFFAOYSA-N 1 1 262.234 3.331 20 30 CGEDMO C=C(C)C[N@H+](C)CCCNC(=O)c1ccccc1C(C)C ZINC001264993200 932742217 /nfs/dbraw/zinc/74/22/17/932742217.db2.gz CYQMYYHDDJLEGK-UHFFFAOYSA-N 1 1 288.435 3.438 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC1(C)CCCCC1 ZINC001316600234 932743585 /nfs/dbraw/zinc/74/35/85/932743585.db2.gz IPESWZYQQHGJJF-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CCC=CCC1 ZINC001316610114 932748141 /nfs/dbraw/zinc/74/81/41/932748141.db2.gz QHEOYMGCKLWUFA-QGZVFWFLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[C@H]([NH2+][C@H](CC)[C@@H]1CC1(C)C)C(=O)OCC ZINC001462249221 937627542 /nfs/dbraw/zinc/62/75/42/937627542.db2.gz ODGJLKXNJIVMBP-MJBXVCDLSA-N 1 1 267.413 3.299 20 30 CGEDMO C#CC[N@H+](Cc1ccc(CC(F)(F)F)cc1)C1CC1 ZINC001462253653 937627734 /nfs/dbraw/zinc/62/77/34/937627734.db2.gz DDUDHWSJJPLGRW-UHFFFAOYSA-N 1 1 267.294 3.389 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccccc2C)C1 ZINC001491907669 932796834 /nfs/dbraw/zinc/79/68/34/932796834.db2.gz TUOLRGPSUSPPKL-MRXNPFEDSA-N 1 1 286.419 3.108 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)C2CCC(=C)CC2)C1 ZINC001491947197 932798080 /nfs/dbraw/zinc/79/80/80/932798080.db2.gz RDKRPTFPGOVMBT-QGZVFWFLSA-N 1 1 290.451 3.232 20 30 CGEDMO CCCCC[N@H+]1CCC[C@H]1CCCNC(=O)C#CC(C)C ZINC001492148280 932807076 /nfs/dbraw/zinc/80/70/76/932807076.db2.gz GCWZNKMKWVQLHZ-QGZVFWFLSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)c1cccc(C)c1 ZINC001492138189 932808722 /nfs/dbraw/zinc/80/87/22/932808722.db2.gz OGGXOYVFGJVJHM-QGZVFWFLSA-N 1 1 286.419 3.155 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)C1=CCCCCC1 ZINC001492235037 932812538 /nfs/dbraw/zinc/81/25/38/932812538.db2.gz YDGGIUNSRDSSMG-HNNXBMFYSA-N 1 1 278.440 3.280 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[C@H]([N@H+](C)CC(=C)Cl)C1 ZINC001317379732 932861350 /nfs/dbraw/zinc/86/13/50/932861350.db2.gz QQCXKUATOPNEFW-CABCVRRESA-N 1 1 298.858 3.264 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[C@H]([N@@H+](C)CC(=C)Cl)C1 ZINC001317379732 932861355 /nfs/dbraw/zinc/86/13/55/932861355.db2.gz QQCXKUATOPNEFW-CABCVRRESA-N 1 1 298.858 3.264 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)CC(C)(C)C1CC1 ZINC001317420795 932870412 /nfs/dbraw/zinc/87/04/12/932870412.db2.gz JDHNZKCUVAFQHM-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO COCC#CC[N@@H+](CCc1ccc(C)cc1)Cc1ccco1 ZINC001307503559 932962606 /nfs/dbraw/zinc/96/26/06/932962606.db2.gz PNGVLKFZPUUERH-UHFFFAOYSA-N 1 1 297.398 3.283 20 30 CGEDMO C#CCCCCCC[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001307503961 932963774 /nfs/dbraw/zinc/96/37/74/932963774.db2.gz AEKLUJKFVPWVGZ-OAHLLOKOSA-N 1 1 279.424 3.234 20 30 CGEDMO C#CCCCCCC[N@@H+]1CC[C@@H](OCC(C)C)C1 ZINC001307578391 932970813 /nfs/dbraw/zinc/97/08/13/932970813.db2.gz ARSIYCZDGNHIAI-MRXNPFEDSA-N 1 1 251.414 3.317 20 30 CGEDMO CC[N@@H+]1[C@H](C)CN(Cc2ccccc2C(C)(C)C#N)C[C@@H]1C ZINC001307888565 933015419 /nfs/dbraw/zinc/01/54/19/933015419.db2.gz YSAYZCOAINIBBU-IYBDPMFKSA-N 1 1 299.462 3.402 20 30 CGEDMO CCN1[C@H](C)C[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@@H]1C ZINC001307888565 933015422 /nfs/dbraw/zinc/01/54/22/933015422.db2.gz YSAYZCOAINIBBU-IYBDPMFKSA-N 1 1 299.462 3.402 20 30 CGEDMO CCN1[C@H](C)C[N@H+](Cc2ccccc2C(C)(C)C#N)C[C@@H]1C ZINC001307888565 933015424 /nfs/dbraw/zinc/01/54/24/933015424.db2.gz YSAYZCOAINIBBU-IYBDPMFKSA-N 1 1 299.462 3.402 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC001308066575 933042825 /nfs/dbraw/zinc/04/28/25/933042825.db2.gz CTSKQXSCMOCKCH-UZLBHIALSA-N 1 1 293.410 3.088 20 30 CGEDMO C#CC[N@H+](CCCc1ccccc1OC)C(C)(C)C ZINC001308087378 933046335 /nfs/dbraw/zinc/04/63/35/933046335.db2.gz ALBPIDTVMHMHLD-UHFFFAOYSA-N 1 1 259.393 3.362 20 30 CGEDMO C=CCCC[N@@H+](CC)[C@H](C(=O)OC)c1cccc(OC)c1 ZINC001308135029 933055224 /nfs/dbraw/zinc/05/52/24/933055224.db2.gz VMVXVKTZBCFGTQ-INIZCTEOSA-N 1 1 291.391 3.197 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C(=O)OC)c1cccc(OC)c1 ZINC001308135029 933055230 /nfs/dbraw/zinc/05/52/30/933055230.db2.gz VMVXVKTZBCFGTQ-INIZCTEOSA-N 1 1 291.391 3.197 20 30 CGEDMO C=CCCC[N@H+](CC)CCCn1c2ccccc2[nH]c1=O ZINC001308133711 933055321 /nfs/dbraw/zinc/05/53/21/933055321.db2.gz KBBIGAOXDXPSMW-UHFFFAOYSA-N 1 1 287.407 3.420 20 30 CGEDMO CC(C)[C@@H]1C[C@@H](N2CCCC2)C[N@@H+]1Cc1ccc(C#N)cc1 ZINC001308151242 933057801 /nfs/dbraw/zinc/05/78/01/933057801.db2.gz KXSYXFLWPKPSQZ-MOPGFXCFSA-N 1 1 297.446 3.253 20 30 CGEDMO CC(C)[C@@H]1C[C@@H](N2CCCC2)C[N@H+]1Cc1ccc(C#N)cc1 ZINC001308151242 933057807 /nfs/dbraw/zinc/05/78/07/933057807.db2.gz KXSYXFLWPKPSQZ-MOPGFXCFSA-N 1 1 297.446 3.253 20 30 CGEDMO C=CC[C@H](C(=O)OC)[N@H+]1CCC[C@H](C2CCCC2)C1 ZINC001308157894 933059937 /nfs/dbraw/zinc/05/99/37/933059937.db2.gz QIVXEDMBGKNDBM-LSDHHAIUSA-N 1 1 265.397 3.006 20 30 CGEDMO CCCC[N@H+]1CCCC[C@H]1CNCc1csc(C#N)c1 ZINC001308254095 933081395 /nfs/dbraw/zinc/08/13/95/933081395.db2.gz GXVFKGZKIVEKML-HNNXBMFYSA-N 1 1 291.464 3.364 20 30 CGEDMO CCCCN1CCCC[C@H]1C[NH2+]Cc1csc(C#N)c1 ZINC001308254095 933081399 /nfs/dbraw/zinc/08/13/99/933081399.db2.gz GXVFKGZKIVEKML-HNNXBMFYSA-N 1 1 291.464 3.364 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@](C)(OC)C1CC1 ZINC001308577299 933136724 /nfs/dbraw/zinc/13/67/24/933136724.db2.gz HIVNHFHJGXZCML-GOSISDBHSA-N 1 1 289.419 3.498 20 30 CGEDMO C[N@@H+](Cc1cc2cnccc2o1)Cc1ccc(C#N)cc1 ZINC001308613999 933143730 /nfs/dbraw/zinc/14/37/30/933143730.db2.gz LKPFCMLTTRYCFW-UHFFFAOYSA-N 1 1 277.327 3.331 20 30 CGEDMO C=C(C)[C@H](N[C@H]1CCC[N@@H+](C)C1)c1ccc(F)c(F)c1 ZINC001308698203 933160145 /nfs/dbraw/zinc/16/01/45/933160145.db2.gz YTEOYXHGPLPRAD-BBRMVZONSA-N 1 1 280.362 3.266 20 30 CGEDMO C=C(C)[C@H](N[C@H]1CCC[N@H+](C)C1)c1ccc(F)c(F)c1 ZINC001308698203 933160152 /nfs/dbraw/zinc/16/01/52/933160152.db2.gz YTEOYXHGPLPRAD-BBRMVZONSA-N 1 1 280.362 3.266 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc2nccnc2c1 ZINC001308755255 933171165 /nfs/dbraw/zinc/17/11/65/933171165.db2.gz QMZPHXWNTOEUON-UHFFFAOYSA-N 1 1 287.366 3.265 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)[C@@H]2C[C@H](OC)C23CCC3)cc1 ZINC001308768064 933172566 /nfs/dbraw/zinc/17/25/66/933172566.db2.gz YIBSRUXRONHGHQ-SJORKVTESA-N 1 1 269.388 3.057 20 30 CGEDMO C#C[C@H](N[C@H]1CCC[N@H+](CC)C1)c1ccc(Cl)cc1 ZINC001308794680 933177492 /nfs/dbraw/zinc/17/74/92/933177492.db2.gz BHFFNUBHXBMMER-HOTGVXAUSA-N 1 1 276.811 3.088 20 30 CGEDMO C#C[C@H]([NH2+][C@H]1CCCN(CC)C1)c1ccc(Cl)cc1 ZINC001308794680 933177496 /nfs/dbraw/zinc/17/74/96/933177496.db2.gz BHFFNUBHXBMMER-HOTGVXAUSA-N 1 1 276.811 3.088 20 30 CGEDMO C=C(C)C[C@H]([NH2+]C[C@H]1C(C)=CCC[C@@H]1C)C(=O)OC ZINC001308903415 933200618 /nfs/dbraw/zinc/20/06/18/933200618.db2.gz XJVALGHSFOUITQ-KKUMJFAQSA-N 1 1 265.397 3.076 20 30 CGEDMO CC(C)(C)[C@H]1CC[N@H+](Cc2csc(C#N)c2)CCO1 ZINC001308983962 933221625 /nfs/dbraw/zinc/22/16/25/933221625.db2.gz KLRBACVPWKLYRT-CQSZACIVSA-N 1 1 278.421 3.257 20 30 CGEDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2csc(C#N)c2)CCO1 ZINC001308983962 933221627 /nfs/dbraw/zinc/22/16/27/933221627.db2.gz KLRBACVPWKLYRT-CQSZACIVSA-N 1 1 278.421 3.257 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCC[N@H+](CCCC(C)C)C1 ZINC001317127857 933471771 /nfs/dbraw/zinc/47/17/71/933471771.db2.gz JHHPLTHVBJKODE-MRXNPFEDSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CC[N@H+](CC[C@H](C)F)[C@@H]1C ZINC001316782598 933479788 /nfs/dbraw/zinc/47/97/88/933479788.db2.gz AMRPKJCLEFQYHT-LZWOXQAQSA-N 1 1 296.430 3.082 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCCC ZINC001316803630 933483491 /nfs/dbraw/zinc/48/34/91/933483491.db2.gz NTNNNUIAYHUWRX-AWEZNQCLSA-N 1 1 286.847 3.242 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CCCC ZINC001316803630 933483493 /nfs/dbraw/zinc/48/34/93/933483493.db2.gz NTNNNUIAYHUWRX-AWEZNQCLSA-N 1 1 286.847 3.242 20 30 CGEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](CC)CCCCCC)C1 ZINC001316947271 933500069 /nfs/dbraw/zinc/50/00/69/933500069.db2.gz JSRPZASXEBEXGT-DLBZAZTESA-N 1 1 292.467 3.197 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC)CCCCCC)C1 ZINC001316947271 933500073 /nfs/dbraw/zinc/50/00/73/933500073.db2.gz JSRPZASXEBEXGT-DLBZAZTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@@H](C[N@H+](C)CCC)C1 ZINC001317044885 933521841 /nfs/dbraw/zinc/52/18/41/933521841.db2.gz SNTKDVWGDQEGSO-DOTOQJQBSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C2CC2)C1 ZINC001317135648 933536670 /nfs/dbraw/zinc/53/66/70/933536670.db2.gz OYSGKNVHNSPFHK-CYBMUJFWSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C2CC2)C1 ZINC001317135648 933536675 /nfs/dbraw/zinc/53/66/75/933536675.db2.gz OYSGKNVHNSPFHK-CYBMUJFWSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)C1CCCC1 ZINC001317177121 933548453 /nfs/dbraw/zinc/54/84/53/933548453.db2.gz RTNYRQTWVJTAKR-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)/C=C(/C)CC)C1 ZINC001317373497 933579432 /nfs/dbraw/zinc/57/94/32/933579432.db2.gz ONGYMYFMARAIEH-FWLQQBITSA-N 1 1 284.831 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)/C=C(/C)CC)C1 ZINC001317373497 933579446 /nfs/dbraw/zinc/57/94/46/933579446.db2.gz ONGYMYFMARAIEH-FWLQQBITSA-N 1 1 284.831 3.018 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)C2(F)CCCC2)C1 ZINC001317377393 933579835 /nfs/dbraw/zinc/57/98/35/933579835.db2.gz UHALCWGVJGFRKA-HNNXBMFYSA-N 1 1 296.430 3.158 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)CCC1CC1 ZINC001317426616 933590257 /nfs/dbraw/zinc/59/02/57/933590257.db2.gz NFDXPRULUBPDDY-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)C1CCCCCCC1 ZINC001317485648 933603476 /nfs/dbraw/zinc/60/34/76/933603476.db2.gz VELFVIPSUGTEAW-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)c1c(C)cc(C)cc1C ZINC001317547484 933618317 /nfs/dbraw/zinc/61/83/17/933618317.db2.gz ZERMZEVIWMVWPU-UHFFFAOYSA-N 1 1 288.435 3.240 20 30 CGEDMO C=C(C)C[N@H+](CCNC(=O)c1ccoc1CCC)C1CC1 ZINC001317559214 933620918 /nfs/dbraw/zinc/62/09/18/933620918.db2.gz UBTWQJOKPOYVHE-UHFFFAOYSA-N 1 1 290.407 3.002 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)c1csc(C)c1C)C(C)C ZINC001317685964 933632207 /nfs/dbraw/zinc/63/22/07/933632207.db2.gz FPHJEMYTVCTHMR-UHFFFAOYSA-N 1 1 294.464 3.381 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)[C@@H]1CC[C@@H](C)C1)C(C)C ZINC001317706013 933636862 /nfs/dbraw/zinc/63/68/62/933636862.db2.gz ZLOLJSZHABLWKT-HZPDHXFCSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CCC)C(=O)C2CC(C)C2)C1 ZINC001317753211 933642732 /nfs/dbraw/zinc/64/27/32/933642732.db2.gz BYQHVNGPNHMZDV-OFLPRAFFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)/C(C)=C\CC)C1 ZINC001317754508 933644263 /nfs/dbraw/zinc/64/42/63/933644263.db2.gz SOJWOUBQHQUCSQ-TYWAAFNRSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H](C)CC)C1 ZINC001317754366 933645469 /nfs/dbraw/zinc/64/54/69/933645469.db2.gz RAQXHZYTHUAWLD-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC(C)(C)CC(=O)NCC[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001317789969 933649184 /nfs/dbraw/zinc/64/91/84/933649184.db2.gz PSOJFOZEBZCPQW-INIZCTEOSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCCC2(C)C)C1 ZINC001317796525 933652476 /nfs/dbraw/zinc/65/24/76/933652476.db2.gz ADSXVJJAIHEKDB-JKSUJKDBSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)CC(C)(C)C)C1 ZINC001317827672 933652633 /nfs/dbraw/zinc/65/26/33/933652633.db2.gz XYBMWXPAFNGSRQ-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C/C(C)=C\CC(=O)N1CC[C@@H](C[N@@H+](C)CCC(=C)C)C1 ZINC001317849497 933658644 /nfs/dbraw/zinc/65/86/44/933658644.db2.gz WGMWWRJBPQIIRV-UGIZUQJLSA-N 1 1 290.451 3.255 20 30 CGEDMO C#CCC[N@H+](C)CC1CCN(C(=O)[C@@H](C)CCCC)CC1 ZINC001317872203 933661581 /nfs/dbraw/zinc/66/15/81/933661581.db2.gz LTSRBVXYWYXXQW-INIZCTEOSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)c2ccccc2)C1 ZINC001317957313 933670424 /nfs/dbraw/zinc/67/04/24/933670424.db2.gz ZXTWSDWRTXQQHP-WBVHZDCISA-N 1 1 286.419 3.236 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001317981591 933671669 /nfs/dbraw/zinc/67/16/69/933671669.db2.gz OZFODBVWFWGINP-FUHWJXTLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001492991991 937705121 /nfs/dbraw/zinc/70/51/21/937705121.db2.gz BVKSJGTVLNDYFM-YESZJQIVSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)[C@H](CC)CC2CCCC2)C1 ZINC001318066973 933680573 /nfs/dbraw/zinc/68/05/73/933680573.db2.gz JOSKUJXFIIRQAD-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001318349181 933711935 /nfs/dbraw/zinc/71/19/35/933711935.db2.gz CKWNUWGIZCLXCL-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CCC2(C)CC2)C1 ZINC001318442021 933727521 /nfs/dbraw/zinc/72/75/21/933727521.db2.gz JDWXJBJTKPFVPU-HZPDHXFCSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(CC)C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001466679053 937711305 /nfs/dbraw/zinc/71/13/05/937711305.db2.gz MLCYIHLTFLBCMT-QGZVFWFLSA-N 1 1 286.419 3.076 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)c1ccc(C)cc1Cl ZINC001467728242 937721686 /nfs/dbraw/zinc/72/16/86/937721686.db2.gz BCQDKLNDVBGPCE-UHFFFAOYSA-N 1 1 294.826 3.228 20 30 CGEDMO C=CCCC(=O)N1CCC(CC[N@H+](C)C/C=C/Cl)CC1 ZINC001319875143 933948824 /nfs/dbraw/zinc/94/88/24/933948824.db2.gz MLZOWMHVAIMGFR-BJMVGYQFSA-N 1 1 298.858 3.266 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC001320037686 933984728 /nfs/dbraw/zinc/98/47/28/933984728.db2.gz HQHNOQBKQVPVDG-ZDUSSCGKSA-N 1 1 283.318 3.065 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+]([C@@H](C)c2c(F)cccc2F)C1 ZINC001320038371 933985067 /nfs/dbraw/zinc/98/50/67/933985067.db2.gz RAZOLGZGILOAPM-RYUDHWBXSA-N 1 1 267.319 3.303 20 30 CGEDMO C=CCO[C@H]1CC[N@H+]([C@@H](C)c2c(F)cccc2F)C1 ZINC001320038371 933985073 /nfs/dbraw/zinc/98/50/73/933985073.db2.gz RAZOLGZGILOAPM-RYUDHWBXSA-N 1 1 267.319 3.303 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC001320067452 933992028 /nfs/dbraw/zinc/99/20/28/933992028.db2.gz RHJDRLACZBXJLP-IAGOWNOFSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cccc(OCCC)c2)C1 ZINC001320086701 933998001 /nfs/dbraw/zinc/99/80/01/933998001.db2.gz PBXVNZAMKPBART-QGZVFWFLSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC001320159691 934010450 /nfs/dbraw/zinc/01/04/50/934010450.db2.gz IFEZUCRCLJFTRX-ZDUSSCGKSA-N 1 1 285.309 3.482 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2c(C)cc(C)cc2C)C1 ZINC001320160145 934011818 /nfs/dbraw/zinc/01/18/18/934011818.db2.gz NDJWHNDOISSIJC-INIZCTEOSA-N 1 1 259.393 3.389 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+]([C@H]2CCc3c2cccc3F)C1 ZINC001320173591 934013455 /nfs/dbraw/zinc/01/34/55/934013455.db2.gz YSEVEJNGHUACQT-HOTGVXAUSA-N 1 1 258.340 3.439 20 30 CGEDMO C[C@@]1(C#N)CCC[N@H+]([C@H]2CCc3c2cccc3F)C1 ZINC001320173591 934013465 /nfs/dbraw/zinc/01/34/65/934013465.db2.gz YSEVEJNGHUACQT-HOTGVXAUSA-N 1 1 258.340 3.439 20 30 CGEDMO C#CC[N@H+](C[C@H](C)Cc1ccc(OC)c(F)c1)CC1CC1 ZINC001320309921 934030480 /nfs/dbraw/zinc/03/04/80/934030480.db2.gz CLKYEZWEGFNPEX-CQSZACIVSA-N 1 1 289.394 3.358 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](CCOc2cccc3ccccc32)C1 ZINC001320322491 934031711 /nfs/dbraw/zinc/03/17/11/934031711.db2.gz WYYLZCRDNBIFRU-KRWDZBQOSA-N 1 1 297.398 3.496 20 30 CGEDMO C=C[C@@H](COC)[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC001320583725 934070080 /nfs/dbraw/zinc/07/00/80/934070080.db2.gz KBGGUVFWIPCEDA-ZDUSSCGKSA-N 1 1 292.379 3.240 20 30 CGEDMO C=CCC[N@H+](C)Cc1sc(N2CCCCC2)nc1C ZINC001320628786 934076078 /nfs/dbraw/zinc/07/60/78/934076078.db2.gz BMRUAHNMEXKEDM-UHFFFAOYSA-N 1 1 279.453 3.450 20 30 CGEDMO C[C@H](N[C@@H]1CCCC[C@@H]1[NH+](C)C)c1ccc(C#N)c(F)c1 ZINC001320671406 934085153 /nfs/dbraw/zinc/08/51/53/934085153.db2.gz ZVPAVTMAGUFFMF-VUCTXSBTSA-N 1 1 289.398 3.221 20 30 CGEDMO Cc1cc(NC(=O)c2ccc(C(C)(C)C#N)cc2)cc(C)[nH+]1 ZINC001321116531 934151937 /nfs/dbraw/zinc/15/19/37/934151937.db2.gz ARAKNCRMFDVFPH-UHFFFAOYSA-N 1 1 293.370 3.174 20 30 CGEDMO C=CC[C@@H]([NH2+][C@@H](C)C1CCC(F)(F)CC1)C(=O)OCC ZINC001321202683 934162914 /nfs/dbraw/zinc/16/29/14/934162914.db2.gz OKXOGOUSLQAZNX-WCQYABFASA-N 1 1 289.366 3.298 20 30 CGEDMO C=CC[C@@H]([NH2+][C@@H](C)CCC=C(C)C)C(=O)OCC ZINC001321965421 934228923 /nfs/dbraw/zinc/22/89/23/934228923.db2.gz BFUPDAXMLNMYBI-UONOGXRCSA-N 1 1 253.386 3.219 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)Cc1csc(C)c1 ZINC001322217775 934258374 /nfs/dbraw/zinc/25/83/74/934258374.db2.gz HGMAFHXOQFZFHQ-LBPRGKRZSA-N 1 1 294.464 3.205 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H](C)C[N@@H+](C)CC1CC(C)(C)C1 ZINC001322235737 934263146 /nfs/dbraw/zinc/26/31/46/934263146.db2.gz HYXKYUPAFUBFSV-KSSFIOAISA-N 1 1 294.483 3.461 20 30 CGEDMO C#CC[N@@H+](CC(=O)Nc1cccc2ccccc21)CC1CC1 ZINC001322948423 934351593 /nfs/dbraw/zinc/35/15/93/934351593.db2.gz MVNZRCYLQUGNJQ-UHFFFAOYSA-N 1 1 292.382 3.124 20 30 CGEDMO C#CC[N@H+](CC(=O)Nc1cccc2ccccc21)CC1CC1 ZINC001322948423 934351602 /nfs/dbraw/zinc/35/16/02/934351602.db2.gz MVNZRCYLQUGNJQ-UHFFFAOYSA-N 1 1 292.382 3.124 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C=C(CC)CC ZINC001323215742 934373545 /nfs/dbraw/zinc/37/35/45/934373545.db2.gz ZOPINWDSMYNIMX-GDBMZVCRSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)CC1CC(C)(C)C1 ZINC001323287834 934379098 /nfs/dbraw/zinc/37/90/98/934379098.db2.gz UVCZPCFRKBYBJK-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)C1(C2CCC2)CCC1 ZINC001323272395 934379908 /nfs/dbraw/zinc/37/99/08/934379908.db2.gz IOIWZDGDGDNUNU-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C#CC[N@H+](Cc1cc2c(cc1O)CCCC2)CC1CC1 ZINC001323285649 934380154 /nfs/dbraw/zinc/38/01/54/934380154.db2.gz IDWFPXFJACKSRS-UHFFFAOYSA-N 1 1 269.388 3.116 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCCF)C1 ZINC001323642339 934414375 /nfs/dbraw/zinc/41/43/75/934414375.db2.gz MDXQQLUZGQDXAQ-JKSUJKDBSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)c2ccsc2)C1 ZINC001324646115 934538610 /nfs/dbraw/zinc/53/86/10/934538610.db2.gz GVGNKDXDWGRSDO-CJNGLKHVSA-N 1 1 292.448 3.008 20 30 CGEDMO Cc1cc(F)c(C#N)c(N2CC[N@H+](C)C[C@H]2CC(C)C)c1 ZINC001472885608 937788088 /nfs/dbraw/zinc/78/80/88/937788088.db2.gz CGWCJXDPAJJJOZ-CQSZACIVSA-N 1 1 289.398 3.172 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCCC[C@@H]1[C@@H](O)CC ZINC001473181943 937795664 /nfs/dbraw/zinc/79/56/64/937795664.db2.gz QZJGIDJXNBLBDH-CVEARBPZSA-N 1 1 251.414 3.196 20 30 CGEDMO CCC#C[C@@H](C)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001473193124 937796480 /nfs/dbraw/zinc/79/64/80/937796480.db2.gz LLKCABVOPZYZRS-MJGOQNOKSA-N 1 1 284.447 3.242 20 30 CGEDMO CCC#C[C@@H](C)[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001473193124 937796488 /nfs/dbraw/zinc/79/64/88/937796488.db2.gz LLKCABVOPZYZRS-MJGOQNOKSA-N 1 1 284.447 3.242 20 30 CGEDMO CCC#C[C@@H](C)[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001473193124 937796489 /nfs/dbraw/zinc/79/64/89/937796489.db2.gz LLKCABVOPZYZRS-MJGOQNOKSA-N 1 1 284.447 3.242 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)C[C@@H]1CCC2(CCC2)O1 ZINC001473319614 937801944 /nfs/dbraw/zinc/80/19/44/937801944.db2.gz XQEGXYRLOCQANX-INIZCTEOSA-N 1 1 275.392 3.412 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC2(C)C)C1 ZINC001324928143 934874296 /nfs/dbraw/zinc/87/42/96/934874296.db2.gz QXPXXNRLRZFIKC-YJBOKZPZSA-N 1 1 292.467 3.217 20 30 CGEDMO Cc1[nH+]ccn1CCCCOC(=O)c1cccc(C#N)c1C ZINC001325233735 934896962 /nfs/dbraw/zinc/89/69/62/934896962.db2.gz PKUWQRHJNJXKQA-UHFFFAOYSA-N 1 1 297.358 3.009 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2ncc(-c3ccc(C)cc3)o2)C1 ZINC001325228516 934897187 /nfs/dbraw/zinc/89/71/87/934897187.db2.gz PDMNHGUVDCSTDA-INIZCTEOSA-N 1 1 298.386 3.427 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ncc(-c3ccc(C)cc3)o2)C1 ZINC001325228516 934897191 /nfs/dbraw/zinc/89/71/91/934897191.db2.gz PDMNHGUVDCSTDA-INIZCTEOSA-N 1 1 298.386 3.427 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cncc(C#N)c1 ZINC001473573646 937811875 /nfs/dbraw/zinc/81/18/75/937811875.db2.gz QNRJHHJTWYZZRY-ZDUSSCGKSA-N 1 1 276.343 3.018 20 30 CGEDMO CC#CC[N@@H+]1[C@H](C)[C@H](C)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001473595171 937813039 /nfs/dbraw/zinc/81/30/39/937813039.db2.gz RGACILYUAYQHQW-KFWWJZLASA-N 1 1 294.439 3.023 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](CCOc2ccc3c(c2)OCO3)C1 ZINC001473627690 937814868 /nfs/dbraw/zinc/81/48/68/937814868.db2.gz NFYPZBDOMDKADQ-AWEZNQCLSA-N 1 1 289.375 3.082 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001326787526 935007373 /nfs/dbraw/zinc/00/73/73/935007373.db2.gz QVFLDBNEAPXODY-DZGCQCFKSA-N 1 1 299.374 3.479 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001326787526 935007378 /nfs/dbraw/zinc/00/73/78/935007378.db2.gz QVFLDBNEAPXODY-DZGCQCFKSA-N 1 1 299.374 3.479 20 30 CGEDMO C#CCCCCCC(=O)N[C@H]1CCC[N@H+](CC(C)C)CC1 ZINC001327141042 935034959 /nfs/dbraw/zinc/03/49/59/935034959.db2.gz AOGDJMFJYKNHKD-KRWDZBQOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCCCC)C2 ZINC001327512596 935064064 /nfs/dbraw/zinc/06/40/64/935064064.db2.gz LZRYGFQTRMGRPU-SFHVURJKSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)C(C)(C)CC)cc2C1 ZINC001327695939 935077838 /nfs/dbraw/zinc/07/78/38/935077838.db2.gz LYGOPRPPVVRCFM-UHFFFAOYSA-N 1 1 286.419 3.241 20 30 CGEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)C(C)(C)CC)cc2C1 ZINC001327695939 935077845 /nfs/dbraw/zinc/07/78/45/935077845.db2.gz LYGOPRPPVVRCFM-UHFFFAOYSA-N 1 1 286.419 3.241 20 30 CGEDMO CC#CCCCC(=O)NCc1ccc2c(c1)C[N@@H+](CCC)C2 ZINC001327696284 935078355 /nfs/dbraw/zinc/07/83/55/935078355.db2.gz PMVDCOUTNPLIMU-UHFFFAOYSA-N 1 1 298.430 3.222 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC001327883642 935094682 /nfs/dbraw/zinc/09/46/82/935094682.db2.gz MNEPCKNIADOBNE-IRXDYDNUSA-N 1 1 271.404 3.383 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H](F)C(C)C)C(C)(C)C1 ZINC001328104059 935117492 /nfs/dbraw/zinc/11/74/92/935117492.db2.gz ZGYDQTDAILNVIQ-HUUCEWRRSA-N 1 1 298.446 3.163 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](C/C=C\Cl)[C@H](C)C1 ZINC001328266548 935126522 /nfs/dbraw/zinc/12/65/22/935126522.db2.gz JXVWDZBEFUYLCH-JFDUVMPXSA-N 1 1 298.858 3.310 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)/C=C/C(C)(C)C)C[C@@H]1C ZINC001328240917 935126946 /nfs/dbraw/zinc/12/69/46/935126946.db2.gz JYXHFZQSWKYJAD-VFDMCBIDSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2(CC)CCC2)C[C@H]1C ZINC001328265637 935127118 /nfs/dbraw/zinc/12/71/18/935127118.db2.gz CEFMGJRMZGQRFO-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@H+](CC(C)C)[C@H](C)C1 ZINC001328253637 935127126 /nfs/dbraw/zinc/12/71/26/935127126.db2.gz BWUWRMZGDVGVJQ-NVXWUHKLSA-N 1 1 292.467 3.380 20 30 CGEDMO C[C@@H]1COC2(CCCC2)C[N@@H+]1Cc1ccc(C#N)s1 ZINC001328429475 935137696 /nfs/dbraw/zinc/13/76/96/935137696.db2.gz NXZBAJUYPAGZJR-GFCCVEGCSA-N 1 1 276.405 3.153 20 30 CGEDMO C[C@@H]1COC2(CCCC2)C[N@H+]1Cc1ccc(C#N)s1 ZINC001328429475 935137700 /nfs/dbraw/zinc/13/77/00/935137700.db2.gz NXZBAJUYPAGZJR-GFCCVEGCSA-N 1 1 276.405 3.153 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1occc1C(C)C ZINC001328753172 935166565 /nfs/dbraw/zinc/16/65/65/935166565.db2.gz PKWHKSQWGXYLTM-AWEZNQCLSA-N 1 1 290.407 3.125 20 30 CGEDMO C[NH+](C)[C@H]1CCCC[C@H]1NCc1ccc(C(C)(C)C#N)cc1 ZINC001329113337 935187607 /nfs/dbraw/zinc/18/76/07/935187607.db2.gz JDUJZCPMGZLXBV-MSOLQXFVSA-N 1 1 299.462 3.450 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001329450283 935217099 /nfs/dbraw/zinc/21/70/99/935217099.db2.gz LGGIKJGGWQWVGC-HNNXBMFYSA-N 1 1 288.435 3.225 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@@H](C)[N@@H+](C)CCC(C)(C)C ZINC001329515578 935222571 /nfs/dbraw/zinc/22/25/71/935222571.db2.gz OPIPAJZTFGQWSQ-CABCVRRESA-N 1 1 282.472 3.461 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccsc1 ZINC001329560904 935228312 /nfs/dbraw/zinc/22/83/12/935228312.db2.gz PPNYRYSJWUSVLX-ZDUSSCGKSA-N 1 1 294.464 3.287 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)c1cc(C)c(F)c(C)c1 ZINC001329612444 935233993 /nfs/dbraw/zinc/23/39/93/935233993.db2.gz DDVRFOJHMHWWTK-CQSZACIVSA-N 1 1 292.398 3.069 20 30 CGEDMO C=CCCC[N@H+]1CCCCC[C@H]1CNC(=O)CCC=C ZINC001329909978 935253791 /nfs/dbraw/zinc/25/37/91/935253791.db2.gz XZETUMSVEXFHPF-INIZCTEOSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)C[C@@H](C=C)CC ZINC001329937123 935256585 /nfs/dbraw/zinc/25/65/85/935256585.db2.gz LRLKSEWGUJOBFI-HOTGVXAUSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCn1cc(C[NH2+]Cc2cccc(C(F)F)c2)nn1 ZINC001330206237 935276558 /nfs/dbraw/zinc/27/65/58/935276558.db2.gz IFHWHLHFRKLGKO-UHFFFAOYSA-N 1 1 292.333 3.082 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@H](NC(=O)C(C)(C)C)C(C)(C)C1 ZINC001330245909 935279571 /nfs/dbraw/zinc/27/95/71/935279571.db2.gz ZMCARCOWVHCXDT-KGLIPLIRSA-N 1 1 280.456 3.214 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC001330638480 935306188 /nfs/dbraw/zinc/30/61/88/935306188.db2.gz HQBBVJTUPBJXJO-NSHDSACASA-N 1 1 252.308 3.336 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C1CCN(C(=O)/C(C)=C/C)CC1 ZINC001331011532 935341012 /nfs/dbraw/zinc/34/10/12/935341012.db2.gz QTPZULOXVKFVIV-KEQVLUGWSA-N 1 1 278.440 3.230 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)/C(C)=C/C)CC1 ZINC001331011533 935341435 /nfs/dbraw/zinc/34/14/35/935341435.db2.gz QTPZULOXVKFVIV-LULHVWEPSA-N 1 1 278.440 3.230 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2c(F)cccc2OCC)C1 ZINC001331066260 935346114 /nfs/dbraw/zinc/34/61/14/935346114.db2.gz IUHBWAHZDZJIRL-ZDUSSCGKSA-N 1 1 279.355 3.001 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2c(F)cccc2OCC)C1 ZINC001331066260 935346121 /nfs/dbraw/zinc/34/61/21/935346121.db2.gz IUHBWAHZDZJIRL-ZDUSSCGKSA-N 1 1 279.355 3.001 20 30 CGEDMO COC(=O)CC(C)(C)[N@@H+](C)CCC1(C#N)CCCCC1 ZINC001331329339 935370429 /nfs/dbraw/zinc/37/04/29/935370429.db2.gz CKEMWVDIQPGJRZ-UHFFFAOYSA-N 1 1 280.412 3.124 20 30 CGEDMO C#CC[N@H+](CC1CC1)[C@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC001331331259 935370689 /nfs/dbraw/zinc/37/06/89/935370689.db2.gz ZGPVTSDZAKRRHP-MRXNPFEDSA-N 1 1 298.430 3.284 20 30 CGEDMO C#CC[N@@H+](CC1CC1)[C@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC001331331259 935370693 /nfs/dbraw/zinc/37/06/93/935370693.db2.gz ZGPVTSDZAKRRHP-MRXNPFEDSA-N 1 1 298.430 3.284 20 30 CGEDMO C#CCCCCCC(=O)N[C@H]1CCC[N@@H+](CC(=C)C)[C@@H]1C ZINC001332197559 935448098 /nfs/dbraw/zinc/44/80/98/935448098.db2.gz CPMXWIMYSFUQGM-SJORKVTESA-N 1 1 290.451 3.115 20 30 CGEDMO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1cncc(C#N)c1 ZINC001333919395 936075705 /nfs/dbraw/zinc/07/57/05/936075705.db2.gz NOQQLTOZCITXJH-GWCFXTLKSA-N 1 1 283.297 3.116 20 30 CGEDMO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1cncc(C#N)c1 ZINC001333919395 936075710 /nfs/dbraw/zinc/07/57/10/936075710.db2.gz NOQQLTOZCITXJH-GWCFXTLKSA-N 1 1 283.297 3.116 20 30 CGEDMO CCC[N@H+](CC(=O)OC(C)(C)C)CC1CCC(C#N)CC1 ZINC001334071925 936083743 /nfs/dbraw/zinc/08/37/43/936083743.db2.gz VMYVOIBTIRIRAR-UHFFFAOYSA-N 1 1 294.439 3.370 20 30 CGEDMO C[C@@H]1CC[C@](CO)([N@@H+](C)CCCCC2(C#N)CCC2)C1 ZINC001334110357 936085282 /nfs/dbraw/zinc/08/52/82/936085282.db2.gz HDFXIPRURQADGK-WBVHZDCISA-N 1 1 278.440 3.333 20 30 CGEDMO C=CC1(CC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCCC1 ZINC001334106778 936085307 /nfs/dbraw/zinc/08/53/07/936085307.db2.gz ZVPIPXFBCMOQQY-HZPDHXFCSA-N 1 1 290.451 3.256 20 30 CGEDMO C=CC[C@H]1[N@H+](Cc2noc3c2COCC3)CCCC1(C)C ZINC001334889307 936120956 /nfs/dbraw/zinc/12/09/56/936120956.db2.gz XKCQWGLSDSDAFX-MRXNPFEDSA-N 1 1 290.407 3.314 20 30 CGEDMO C[C@H](Nc1ccc(C#N)nc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001337108667 936236751 /nfs/dbraw/zinc/23/67/51/936236751.db2.gz OEVWAJXTKNUVSR-KBPBESRZSA-N 1 1 284.407 3.018 20 30 CGEDMO C[C@@H](Nc1ccc(C#N)nc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001337108670 936237342 /nfs/dbraw/zinc/23/73/42/936237342.db2.gz OEVWAJXTKNUVSR-ZIAGYGMSSA-N 1 1 284.407 3.018 20 30 CGEDMO C=CCC[C@@H]1CCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001337550375 936268694 /nfs/dbraw/zinc/26/86/94/936268694.db2.gz JGUBCTGDINEDTH-LSDHHAIUSA-N 1 1 289.423 3.354 20 30 CGEDMO C[C@H](Nc1cccc(CC#N)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001337832109 936292584 /nfs/dbraw/zinc/29/25/84/936292584.db2.gz MPMSHFSIPPFXEK-LSDHHAIUSA-N 1 1 298.434 3.213 20 30 CGEDMO C[C@H](Nc1cccc(CC#N)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001337832107 936293022 /nfs/dbraw/zinc/29/30/22/936293022.db2.gz MPMSHFSIPPFXEK-GJZGRUSLSA-N 1 1 298.434 3.213 20 30 CGEDMO CCC#C[C@H](C)[NH+]1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC001473832609 937823970 /nfs/dbraw/zinc/82/39/70/937823970.db2.gz LKJDYGMCHMZJAZ-NSHDSACASA-N 1 1 299.340 3.410 20 30 CGEDMO C=CCCC[N@H+](CC)CCOc1ccc(C#N)cc1OC ZINC001473862209 937825469 /nfs/dbraw/zinc/82/54/69/937825469.db2.gz XWHAWWVFCAWLBF-UHFFFAOYSA-N 1 1 288.391 3.234 20 30 CGEDMO CCn1ccc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)n1 ZINC001474318313 937850807 /nfs/dbraw/zinc/85/08/07/937850807.db2.gz AGZYVBDGQYDNOE-UHFFFAOYSA-N 1 1 282.391 3.185 20 30 CGEDMO CCn1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)n1 ZINC001474318313 937850809 /nfs/dbraw/zinc/85/08/09/937850809.db2.gz AGZYVBDGQYDNOE-UHFFFAOYSA-N 1 1 282.391 3.185 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cc3c(cc2OC)OCO3)C1 ZINC001474619369 937870851 /nfs/dbraw/zinc/87/08/51/937870851.db2.gz VIBCDKUFMKNOMC-CYBMUJFWSA-N 1 1 289.375 3.212 20 30 CGEDMO C=CCC[C@H]1CCCN1C(=O)NCCC[N@H+](C)CC(C)C ZINC001478918900 937913463 /nfs/dbraw/zinc/91/34/63/937913463.db2.gz IXGNQXFCDGQNCU-INIZCTEOSA-N 1 1 295.471 3.105 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC1CC(C)(C)C1 ZINC001479234395 937917754 /nfs/dbraw/zinc/91/77/54/937917754.db2.gz FIALMXFFKNNVBW-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC1(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC[C@@H](C)F)CCC1 ZINC001479244575 937918174 /nfs/dbraw/zinc/91/81/74/937918174.db2.gz KRSCTGQAQSTEKF-CABCVRRESA-N 1 1 296.430 3.014 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCCCC ZINC001479245281 937918393 /nfs/dbraw/zinc/91/83/93/937918393.db2.gz ZYTFMXJTWMVPHO-DOTOQJQBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C1CC2(CC2)C1 ZINC001479737803 937925025 /nfs/dbraw/zinc/92/50/25/937925025.db2.gz NPOHUGBXMUOJQQ-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)[C@H]1CCC[C@H](C)C1 ZINC001479852683 937927284 /nfs/dbraw/zinc/92/72/84/937927284.db2.gz OZDGYIREHZUDGQ-HOTGVXAUSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)[C@H]1CCC[C@@H](C)C1 ZINC001479852682 937927495 /nfs/dbraw/zinc/92/74/95/937927495.db2.gz OZDGYIREHZUDGQ-CVEARBPZSA-N 1 1 280.456 3.217 20 30 CGEDMO C#CC[N@H+](CCCNC(=O)C[C@H](C)CC(C)(C)C)C1CC1 ZINC001479875740 937928014 /nfs/dbraw/zinc/92/80/14/937928014.db2.gz BDCHSCONGFLFNU-HNNXBMFYSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)C(C)(C)C2CC2)C1 ZINC001479909161 937928967 /nfs/dbraw/zinc/92/89/67/937928967.db2.gz SAHCMRKNUDAJCQ-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001479960770 937929438 /nfs/dbraw/zinc/92/94/38/937929438.db2.gz WBIHCJDBZQZSGP-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC(CC)CC)C1 ZINC001480189901 937933933 /nfs/dbraw/zinc/93/39/33/937933933.db2.gz URJBTPISNPZUJY-IRXDYDNUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](CNC(=O)C2CC=CC2)C1 ZINC001480249568 937934920 /nfs/dbraw/zinc/93/49/20/937934920.db2.gz WVFJEWKWWPHCAO-JKSUJKDBSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C2CCCC2)C1 ZINC001480255480 937935086 /nfs/dbraw/zinc/93/50/86/937935086.db2.gz XSRIJNMTAGGRBC-HNNXBMFYSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)CCCC)C1 ZINC001480252603 937935169 /nfs/dbraw/zinc/93/51/69/937935169.db2.gz OEKZSNVNBUPUFK-JKSUJKDBSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@@H](F)CC)C1 ZINC001480260329 937935267 /nfs/dbraw/zinc/93/52/67/937935267.db2.gz VOFIOZVJMLWWHY-GJZGRUSLSA-N 1 1 298.446 3.165 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)C[C@@H](C)CC(C)C)C1 ZINC001480268317 937935554 /nfs/dbraw/zinc/93/55/54/937935554.db2.gz XUAKJSURCAXVDV-IRXDYDNUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@H]1CCCC[N@@H+]1C/C=C/Cl ZINC001480325400 937936438 /nfs/dbraw/zinc/93/64/38/937936438.db2.gz LPLZOIBAKHWHEV-DNGMOHDESA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@H]1CCCC[N@H+]1C/C=C/Cl ZINC001480325400 937936439 /nfs/dbraw/zinc/93/64/39/937936439.db2.gz LPLZOIBAKHWHEV-DNGMOHDESA-N 1 1 298.858 3.312 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@H]2CCCC[N@@H+]2CC[C@@H](C)F)C1 ZINC001480326752 937936487 /nfs/dbraw/zinc/93/64/87/937936487.db2.gz YRLFHYUFVQHGGA-HUUCEWRRSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C=C)c1ccccc1 ZINC001480333002 937936678 /nfs/dbraw/zinc/93/66/78/937936678.db2.gz VWAURDFFSBSVCD-ROUUACIJSA-N 1 1 298.430 3.113 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001480383664 937937720 /nfs/dbraw/zinc/93/77/20/937937720.db2.gz RZBQATZBJLSSJT-GOEBONIOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)C=C(CC)CC)C1 ZINC001480722256 937942409 /nfs/dbraw/zinc/94/24/09/937942409.db2.gz LZLITMFDKSIIRV-MRXNPFEDSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@H]([N@H+](C)C[C@H](F)CC)C1 ZINC001480734994 937943151 /nfs/dbraw/zinc/94/31/51/937943151.db2.gz AQDGNAUZJGQZDI-CABCVRRESA-N 1 1 298.446 3.260 20 30 CGEDMO CC#CC[N@H+](C)[C@H]1CCCN(C(=O)C(CCC)CCC)C1 ZINC001480733650 937943230 /nfs/dbraw/zinc/94/32/30/937943230.db2.gz QLNUBQOLQAOLDJ-KRWDZBQOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)/C=C\C(C)(C)C ZINC001480819284 937944979 /nfs/dbraw/zinc/94/49/79/937944979.db2.gz TYVMGWHIYJZSOE-JQPIKURYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[C@H](C(=O)NC[C@H]1CCC[N@H+]1CC=C)c1ccccc1 ZINC001493159038 937947979 /nfs/dbraw/zinc/94/79/79/937947979.db2.gz AKFNAMMPZLYXIO-MSOLQXFVSA-N 1 1 298.430 3.113 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@H]1CC[N@H+](CC2CC(C)C2)C1 ZINC001493205307 937948628 /nfs/dbraw/zinc/94/86/28/937948628.db2.gz DTUFSUHSVHXFRL-HWOWSKLDSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001493240071 937948638 /nfs/dbraw/zinc/94/86/38/937948638.db2.gz OLPXZNRZENANNY-CVEARBPZSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)CC[N@H+](CCCNC(=O)c1cc[nH]c1C)C(C)C ZINC001493854661 937951579 /nfs/dbraw/zinc/95/15/79/937951579.db2.gz CIIRYQUHCXXDOH-UHFFFAOYSA-N 1 1 291.439 3.120 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](CCNC(=O)C=C2CCCCC2)C1 ZINC001493994840 937952927 /nfs/dbraw/zinc/95/29/27/937952927.db2.gz LEZMACRBFCLGQX-QGZVFWFLSA-N 1 1 290.451 3.281 20 30 CGEDMO C=C/C(C)=C\CC(=O)NCC[C@@H]1CC[N@H+](CCC(=C)C)C1 ZINC001494049853 937953040 /nfs/dbraw/zinc/95/30/40/937953040.db2.gz PQFLGNXKMPADAU-LTFKWQPMSA-N 1 1 290.451 3.303 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)C2(C)CC(=C)C2)C1 ZINC001494055219 937953079 /nfs/dbraw/zinc/95/30/79/937953079.db2.gz NMLQIXPLJRMYNG-MRXNPFEDSA-N 1 1 290.451 3.137 20 30 CGEDMO C#CC[N@H+](C)C[C@@H]1CCN(C(=O)CCCCCC(C)C)C1 ZINC001494164067 937953803 /nfs/dbraw/zinc/95/38/03/937953803.db2.gz VOUCCNIDBJWAHP-KRWDZBQOSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)C(CC)CC)C1 ZINC001494280230 937953852 /nfs/dbraw/zinc/95/38/52/937953852.db2.gz FYBWVVOTMROCPU-GDBMZVCRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[NH+]1CC(NC(=O)c2ccccc2C(C)C)C1 ZINC001494395091 937954601 /nfs/dbraw/zinc/95/46/01/937954601.db2.gz CIORZODSDZPCEX-UHFFFAOYSA-N 1 1 286.419 3.190 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)[C@@H](C)C(C)(F)F)C1 ZINC001494452036 937954776 /nfs/dbraw/zinc/95/47/76/937954776.db2.gz FGTPLTGWAHCRET-GFCCVEGCSA-N 1 1 290.398 3.049 20 30 CGEDMO C=C(C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC1CCCC1 ZINC001494655842 937955498 /nfs/dbraw/zinc/95/54/98/937955498.db2.gz DKZQZXPCKNUMRF-IRXDYDNUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](CCC)CC(C)C)C1 ZINC001494873403 937956963 /nfs/dbraw/zinc/95/69/63/937956963.db2.gz AXDKBAFBCSCZLD-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC(=O)N(C)CC[N@@H+](C)CCC1CCCCC1 ZINC001496672674 937963658 /nfs/dbraw/zinc/96/36/58/937963658.db2.gz SUCAPQCNGZWXPB-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCC(=C)C)C1 ZINC001496856193 937964437 /nfs/dbraw/zinc/96/44/37/937964437.db2.gz BCSBILKWCIOQHI-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CC2CCC2)C1 ZINC001496865207 937964572 /nfs/dbraw/zinc/96/45/72/937964572.db2.gz WHXKTSDMSBRREG-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC(C)(C)C=C)CC[C@H]21 ZINC001496862067 937964594 /nfs/dbraw/zinc/96/45/94/937964594.db2.gz VPMAXOBGDOEROB-HZPDHXFCSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCCC(=O)N[C@H](C)C[N@@H+](C)[C@@H](C)c1cccc(C)c1 ZINC001498239170 937968583 /nfs/dbraw/zinc/96/85/83/937968583.db2.gz LDFQHNXTZRDRSY-CVEARBPZSA-N 1 1 288.435 3.459 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC(C)(C)C1 ZINC001498376275 937969088 /nfs/dbraw/zinc/96/90/88/937969088.db2.gz IWWLNXXNTYRGCE-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CNC(=O)CCC1CCCCCC1 ZINC001499021683 937971721 /nfs/dbraw/zinc/97/17/21/937971721.db2.gz PQZANXAMVGHTQE-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]1CNC(=O)CCC1CCCCCC1 ZINC001499021683 937971722 /nfs/dbraw/zinc/97/17/22/937971722.db2.gz PQZANXAMVGHTQE-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccoc1C(C)C ZINC001499131093 937972889 /nfs/dbraw/zinc/97/28/89/937972889.db2.gz GSJRIMSUTUXAPL-CQSZACIVSA-N 1 1 290.407 3.173 20 30 CGEDMO C=C(C)CCC(=O)N1CCCC[C@H]1[C@H]1CC[N@H+](CC)C1 ZINC001499481087 937973512 /nfs/dbraw/zinc/97/35/12/937973512.db2.gz LYRYFFGIOKMDCU-HOTGVXAUSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@]2(C1)CCC[N@H+](CCC)C2 ZINC001499570716 937974016 /nfs/dbraw/zinc/97/40/16/937974016.db2.gz TUYRZEAPBWSFIV-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@](C)(NC(=O)C2CC=CC2)C1 ZINC001500200014 937976371 /nfs/dbraw/zinc/97/63/71/937976371.db2.gz KTSBBGNVKGZSIR-GOSISDBHSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](C)C2CCCC2)C1 ZINC001500547502 937977967 /nfs/dbraw/zinc/97/79/67/937977967.db2.gz WUDJTCDWJMXKGM-MAUKXSAKSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC(CC=C)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC ZINC001501166606 937979103 /nfs/dbraw/zinc/97/91/03/937979103.db2.gz YXXPTXRSYZDWFT-ACHSLPGTSA-N 1 1 290.451 3.134 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@H]1CCCC2(CC2)C1 ZINC001502246621 937981829 /nfs/dbraw/zinc/98/18/29/937981829.db2.gz YLWHLHLOYHHEDE-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)C[C@@H]1CCC[C@@H]1C ZINC001502336816 937981852 /nfs/dbraw/zinc/98/18/52/937981852.db2.gz XXSCJGLQUMDFOZ-HOTGVXAUSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCCCC[N@H+](CC)CC1CCN(C(C)=O)CC1 ZINC001505393762 937984946 /nfs/dbraw/zinc/98/49/46/937984946.db2.gz HZYGYMXUSXUREJ-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C)CCC ZINC001505424827 937985096 /nfs/dbraw/zinc/98/50/96/937985096.db2.gz VVDIQYBUXIDUFM-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCC1 ZINC001505432564 937985454 /nfs/dbraw/zinc/98/54/54/937985454.db2.gz OIUCEPSTURQCPS-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(Cl)o1 ZINC001505869319 937987614 /nfs/dbraw/zinc/98/76/14/937987614.db2.gz RLLFBTADRYEGJM-RYUDHWBXSA-N 1 1 298.814 3.338 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1[nH]c(C)cc1C ZINC001505945493 937987996 /nfs/dbraw/zinc/98/79/96/937987996.db2.gz DMJHEZNTVBVWRQ-HUUCEWRRSA-N 1 1 291.439 3.036 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)CNC(=O)c1ccc2sccc2c1 ZINC001506032209 937988997 /nfs/dbraw/zinc/98/89/97/937988997.db2.gz KKJRKDABVJPEHO-LBPRGKRZSA-N 1 1 288.416 3.137 20 30 CGEDMO C=CCCC[N@H+]1CCCCC[C@@H]1CNC(=O)C1CC=CC1 ZINC001506559201 937990573 /nfs/dbraw/zinc/99/05/73/937990573.db2.gz DXXMXTJKWGBAGI-QGZVFWFLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H](C)CC)CC1(C)C ZINC001506743595 937991642 /nfs/dbraw/zinc/99/16/42/937991642.db2.gz IPDVYMOUVCRIAD-UONOGXRCSA-N 1 1 280.456 3.071 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)/C(C)=C\CC)C(C)(C)C1 ZINC001506734070 937991738 /nfs/dbraw/zinc/99/17/38/937991738.db2.gz QLFFMGXORYDRMU-OWTLUSIOSA-N 1 1 278.440 3.136 20 30 CGEDMO CCCCCCC[N@@H+](C)C1CCN(C(=O)C2CC2)CC1 ZINC001506949627 937993061 /nfs/dbraw/zinc/99/30/61/937993061.db2.gz QMEXTGCYRQRANL-UHFFFAOYSA-N 1 1 280.456 3.290 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)C[C@@H]2C=CCC2)CC1 ZINC001506954151 937993123 /nfs/dbraw/zinc/99/31/23/937993123.db2.gz QTMBXOYIPMVPJM-MRXNPFEDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC([N@@H+](C)C/C=C/Cl)CC1 ZINC001506961706 937993180 /nfs/dbraw/zinc/99/31/80/937993180.db2.gz XWKCFAOXNXPVDN-RMKNXTFCSA-N 1 1 298.858 3.264 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H](CC)CCC)CCC[C@@H]12 ZINC001507353145 937995203 /nfs/dbraw/zinc/99/52/03/937995203.db2.gz SZGAVNKYAQZFGD-ZMSDIMECSA-N 1 1 278.440 3.112 20 30 CGEDMO CC(C)N(CC[N@@H+](C)CCC(C)(C)C)C(=O)C#CC1CC1 ZINC001507788058 937996856 /nfs/dbraw/zinc/99/68/56/937996856.db2.gz OVOALVSQEUJIPY-UHFFFAOYSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)CCC(=O)NCC1=CC[N@@H+](CC2CC(C)C2)CC1 ZINC001508206708 937998778 /nfs/dbraw/zinc/99/87/78/937998778.db2.gz KGLISUASCMORSU-UHFFFAOYSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCC1=CC[N@H+](C/C=C/Cl)CC1 ZINC001508219133 937998823 /nfs/dbraw/zinc/99/88/23/937998823.db2.gz CBHICXSERYLCSX-FSNWXROXSA-N 1 1 296.842 3.090 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCC1=CC[N@@H+](C/C=C/Cl)CC1 ZINC001508219133 937998824 /nfs/dbraw/zinc/99/88/24/937998824.db2.gz CBHICXSERYLCSX-FSNWXROXSA-N 1 1 296.842 3.090 20 30 CGEDMO C=CC1(CC(=O)N2[C@H](C)C[N@H+](C)C[C@@H]2C)CCCCC1 ZINC001518732170 938016419 /nfs/dbraw/zinc/01/64/19/938016419.db2.gz YGCKNAGXXRUVOD-GASCZTMLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[N@@H+](C2CCCC2)[C@H](C)C1 ZINC001520686048 938026925 /nfs/dbraw/zinc/02/69/25/938026925.db2.gz WPDLXXBGOHLLIF-CQSZACIVSA-N 1 1 278.440 3.064 20 30 CGEDMO CCCCCCCC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001530262600 938076888 /nfs/dbraw/zinc/07/68/88/938076888.db2.gz FQYHPNIQFBBAPL-HZPDHXFCSA-N 1 1 280.456 3.480 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@H](Cc2ccc(C)cc2)C1 ZINC001559511916 938228390 /nfs/dbraw/zinc/22/83/90/938228390.db2.gz PTZRNZDMSZTNTK-GOSISDBHSA-N 1 1 273.420 3.452 20 30 CGEDMO C=CC[N@@H+](CC1CCCCC1)[C@H]1CCCN(C(C)C)C1=O ZINC001559538300 938228857 /nfs/dbraw/zinc/22/88/57/938228857.db2.gz UWHVXJPXGRSVKA-KRWDZBQOSA-N 1 1 292.467 3.454 20 30 CGEDMO CC(C)(C)[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001559788236 938235687 /nfs/dbraw/zinc/23/56/87/938235687.db2.gz ZEJVDSNKRVOMIA-DLBZAZTESA-N 1 1 286.419 3.350 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)Cc1cnc(-c2ccccc2)o1 ZINC001559797689 938235974 /nfs/dbraw/zinc/23/59/74/938235974.db2.gz WXODZXXOPQHMDP-UHFFFAOYSA-N 1 1 299.418 3.281 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+]Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC001559851570 938237092 /nfs/dbraw/zinc/23/70/92/938237092.db2.gz OPLCDZLFFMHEHE-INIZCTEOSA-N 1 1 287.794 3.417 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](C[C@@H](O)c2cccc(C)c2)C1 ZINC001559983249 938240941 /nfs/dbraw/zinc/24/09/41/938240941.db2.gz LNAWIQZAWKCJNC-DOTOQJQBSA-N 1 1 259.393 3.317 20 30 CGEDMO CCCCCCCC[N@H+]1CCO[C@@](C)(COC)C1 ZINC001560042207 938242668 /nfs/dbraw/zinc/24/26/68/938242668.db2.gz IPYMXJNJKFTUQJ-OAHLLOKOSA-N 1 1 257.418 3.084 20 30 CGEDMO C#CC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)C ZINC001560156081 938245518 /nfs/dbraw/zinc/24/55/18/938245518.db2.gz CSWCWIQSWXRRLX-UHFFFAOYSA-N 1 1 280.755 3.482 20 30 CGEDMO C#CC[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)C ZINC001560156081 938245519 /nfs/dbraw/zinc/24/55/19/938245519.db2.gz CSWCWIQSWXRRLX-UHFFFAOYSA-N 1 1 280.755 3.482 20 30 CGEDMO C#CC[N@H+](C[C@H](C)OC)[C@@H]1CCCc2ccccc21 ZINC001560172220 938245655 /nfs/dbraw/zinc/24/56/55/938245655.db2.gz QSCIXTUNWYSXTM-WMLDXEAASA-N 1 1 257.377 3.034 20 30 CGEDMO CCCCCCCC[N@H+]1CC(=O)NC[C@@H]1C(C)(C)C ZINC001560172617 938246025 /nfs/dbraw/zinc/24/60/25/938246025.db2.gz BXHKXYFBSZOYHI-CQSZACIVSA-N 1 1 268.445 3.193 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)OCCCC ZINC001560199696 938246706 /nfs/dbraw/zinc/24/67/06/938246706.db2.gz BAYNNCGFXFIHLH-ZIAGYGMSSA-N 1 1 253.386 3.149 20 30 CGEDMO C#C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC001560209749 938247183 /nfs/dbraw/zinc/24/71/83/938247183.db2.gz WWZXBNVCMRTUFF-HNNXBMFYSA-N 1 1 290.794 3.156 20 30 CGEDMO C=CCCCN1CCCc2c3[nH+]cn(C)c3ccc21 ZINC001560223142 938247727 /nfs/dbraw/zinc/24/77/27/938247727.db2.gz RULXVXIDMRQLKI-UHFFFAOYSA-N 1 1 255.365 3.292 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@]1(CO)c1ccccc1 ZINC001560230817 938248097 /nfs/dbraw/zinc/24/80/97/938248097.db2.gz HSYHTDYMURWAJM-SFHVURJKSA-N 1 1 286.419 3.300 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC001560289561 938251517 /nfs/dbraw/zinc/25/15/17/938251517.db2.gz LOGFUKNPYOAAOV-RHSMWYFYSA-N 1 1 299.462 3.385 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC001560289561 938251519 /nfs/dbraw/zinc/25/15/19/938251519.db2.gz LOGFUKNPYOAAOV-RHSMWYFYSA-N 1 1 299.462 3.385 20 30 CGEDMO C=CC[NH+]1CCC(NCc2cc(Cl)ccc2OC)CC1 ZINC001560313796 938252532 /nfs/dbraw/zinc/25/25/32/938252532.db2.gz UBBXGONHLSNYRG-UHFFFAOYSA-N 1 1 294.826 3.089 20 30 CGEDMO C=CC[C@H]([NH2+]Cc1c(Cl)ncn1CC)c1ccncc1 ZINC001560338502 938253787 /nfs/dbraw/zinc/25/37/87/938253787.db2.gz AIIHPTBXUFWXFR-ZDUSSCGKSA-N 1 1 290.798 3.358 20 30 CGEDMO C=CC[C@H]([NH2+]Cc1nc2ccccc2n1C)c1ccncc1 ZINC001560338698 938253937 /nfs/dbraw/zinc/25/39/37/938253937.db2.gz IRQQWSIJLSSZQG-HNNXBMFYSA-N 1 1 292.386 3.375 20 30 CGEDMO C#Cc1ccc(C[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)cc1 ZINC001560841122 938278676 /nfs/dbraw/zinc/27/86/76/938278676.db2.gz JNNNLDXKWVOHFY-QZTJIDSGSA-N 1 1 251.373 3.288 20 30 CGEDMO C=C(C)C[C@@H]([NH2+]C[C@H](C)C1CCCCC1)C(=O)OC ZINC001560968357 938287167 /nfs/dbraw/zinc/28/71/67/938287167.db2.gz JHPWWGZYHCWAIV-DZGCQCFKSA-N 1 1 267.413 3.300 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCc3ccsc3C2)cs1 ZINC001561034513 938290456 /nfs/dbraw/zinc/29/04/56/938290456.db2.gz SQWNDFILPZIUAR-UHFFFAOYSA-N 1 1 260.387 3.240 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCc3ccsc3C2)cs1 ZINC001561034513 938290457 /nfs/dbraw/zinc/29/04/57/938290457.db2.gz SQWNDFILPZIUAR-UHFFFAOYSA-N 1 1 260.387 3.240 20 30 CGEDMO C#CC[N@H+](C)C/C(C)=C/c1ccccc1OC(F)F ZINC001561032740 938290689 /nfs/dbraw/zinc/29/06/89/938290689.db2.gz PCIMUDOBQYLRKH-ZRDIBKRKSA-N 1 1 265.303 3.256 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H](C)C[N@H+](C)CC/C=C\CC)C1 ZINC001498374652 957717286 /nfs/dbraw/zinc/71/72/86/957717286.db2.gz AADUCCYNCKKPCC-LZNQSLFOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)CCC)C2)C1 ZINC001485658148 957828017 /nfs/dbraw/zinc/82/80/17/957828017.db2.gz SJUGJIHZZXGFTC-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[C@@H](C[N@@H+](C)CCC(C)C)C1 ZINC001317847931 957901045 /nfs/dbraw/zinc/90/10/45/957901045.db2.gz JDCSIGCZNFZUHJ-SJORKVTESA-N 1 1 294.483 3.415 20 30 CGEDMO CC#Cc1cncc(-c2ccc(C[N@@H+](C)C3CC3)cn2)c1 ZINC001242940038 960415978 /nfs/dbraw/zinc/41/59/78/960415978.db2.gz NCRFXPDNQPGRDQ-UHFFFAOYSA-N 1 1 277.371 3.109 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@](C)(CC)CCC)C1 ZINC001317144388 960429905 /nfs/dbraw/zinc/42/99/05/960429905.db2.gz SIGXBVNUYZWMTR-WMZOPIPTSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1occc1Cl ZINC001317432479 960430800 /nfs/dbraw/zinc/43/08/00/960430800.db2.gz AGOXAMMUUONMEL-LBPRGKRZSA-N 1 1 296.798 3.093 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](CCCCCF)[C@@H](C)C1 ZINC001570438125 960461123 /nfs/dbraw/zinc/46/11/23/960461123.db2.gz VUDQLMMRSALXJL-JKSUJKDBSA-N 1 1 298.446 3.452 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CNC(=O)[C@@H](C)CCC)CC1 ZINC001571684090 960466286 /nfs/dbraw/zinc/46/62/86/960466286.db2.gz XRIIKQOIAQWWSC-HNNXBMFYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)[C@@H]1CCCC[C@@H]1C)C(C)C ZINC001571614370 960468394 /nfs/dbraw/zinc/46/83/94/960468394.db2.gz FPODDWGZVYICDD-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@H]1CC ZINC001566488164 960559185 /nfs/dbraw/zinc/55/91/85/960559185.db2.gz IUIWQEDZIWDPIX-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)c2ccoc2)C1 ZINC001566737108 960574621 /nfs/dbraw/zinc/57/46/21/960574621.db2.gz XJSCPSBMGVXWLG-HNNXBMFYSA-N 1 1 290.407 3.030 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC2CC2)C1 ZINC001565503886 960789210 /nfs/dbraw/zinc/78/92/10/960789210.db2.gz DBKRGJPIHHMFKK-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)/C(C)=C/CC ZINC001565993591 960862100 /nfs/dbraw/zinc/86/21/00/960862100.db2.gz UCNSUMHIDNOILE-KDUGFSLASA-N 1 1 290.451 3.134 20 30 CGEDMO C=C(C)CCC(=O)N1CCCC[C@H]1C[N@H+](C)CC(=C)C ZINC001566122165 960889174 /nfs/dbraw/zinc/88/91/74/960889174.db2.gz MJENOLDIJNWGIB-INIZCTEOSA-N 1 1 278.440 3.232 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)CC)CC(C)(C)C1 ZINC001566130219 960896144 /nfs/dbraw/zinc/89/61/44/960896144.db2.gz SBBHSSMCKJIWIC-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C(CC)(CC)CC)C1 ZINC001566631343 960971109 /nfs/dbraw/zinc/97/11/09/960971109.db2.gz RQVNFNYSWSODDK-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)C2(CCCC)CC2)C1 ZINC001566672039 960976693 /nfs/dbraw/zinc/97/66/93/960976693.db2.gz GTZRBQJLPFXVCO-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccs1 ZINC001566748652 961006086 /nfs/dbraw/zinc/00/60/86/961006086.db2.gz SGTCDAPQJYCWGD-OKILXGFUSA-N 1 1 290.432 3.003 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)C2CCC=CCC2)C1 ZINC001566745956 961007158 /nfs/dbraw/zinc/00/71/58/961007158.db2.gz ADEXPLXNCZLXKV-INIZCTEOSA-N 1 1 290.451 3.089 20 30 CGEDMO C#CCCCC(=O)NC[C@H]1CCC[N@H+](CCCC(C)C)C1 ZINC001566869837 961035789 /nfs/dbraw/zinc/03/57/89/961035789.db2.gz XTQMARKIIVTLNP-QGZVFWFLSA-N 1 1 292.467 3.054 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)C=C2CCCCC2)C1 ZINC001566866749 961038709 /nfs/dbraw/zinc/03/87/09/961038709.db2.gz WPODLPVFSCRIAH-KRWDZBQOSA-N 1 1 290.451 3.281 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)/C=C/C(C)(C)C ZINC001566918382 961053848 /nfs/dbraw/zinc/05/38/48/961053848.db2.gz PYAUFSQNXUPVGZ-FEAKQIBJSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](CC)SC ZINC001566920150 961055305 /nfs/dbraw/zinc/05/53/05/961055305.db2.gz NKNLZVNSWNWKFY-LSDHHAIUSA-N 1 1 298.496 3.065 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)=C1CCCC1 ZINC001566920420 961066159 /nfs/dbraw/zinc/06/61/59/961066159.db2.gz RYLLYHZAGMIADI-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)C2CC2)C1 ZINC001567195817 961136353 /nfs/dbraw/zinc/13/63/53/961136353.db2.gz CVJQYKRXTLCSAQ-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)c2cocc2C)C1 ZINC001567195961 961137210 /nfs/dbraw/zinc/13/72/10/961137210.db2.gz FSLMIWFHBXHINN-HNNXBMFYSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H]1CCCNC(=O)C[C@H]1C=CCC1 ZINC001567242993 961152512 /nfs/dbraw/zinc/15/25/12/961152512.db2.gz CYGQTGBRBJHQGN-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@H]2CCC[N@H+]2CC2CCCC2)C1 ZINC001567378922 961309039 /nfs/dbraw/zinc/30/90/39/961309039.db2.gz KYSBAFFAFXXZPI-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001567378946 961314294 /nfs/dbraw/zinc/31/42/94/961314294.db2.gz LJQUJYKSMHPOBZ-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)CC[C@H](C)CC)C1 ZINC001567415579 961325116 /nfs/dbraw/zinc/32/51/16/961325116.db2.gz OUTZXVVTFGEBLG-CVEARBPZSA-N 1 1 280.456 3.217 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H](CNC(=O)C[C@@H](CC)CCCC)C1 ZINC001567406796 961327038 /nfs/dbraw/zinc/32/70/38/961327038.db2.gz XBVGWYVLNUFRTM-IRXDYDNUSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)c1cc(C)cc(C)c1)C(C)C ZINC001567651897 961375499 /nfs/dbraw/zinc/37/54/99/961375499.db2.gz CUMBQSDAMBZNDB-UHFFFAOYSA-N 1 1 288.435 3.320 20 30 CGEDMO C=CCCC[N@H+](CCCNC(=O)C(C)(C)C)C(C)C ZINC001567652142 961377224 /nfs/dbraw/zinc/37/72/24/961377224.db2.gz NCKYHNHWSJFOCB-UHFFFAOYSA-N 1 1 268.445 3.215 20 30 CGEDMO C#CCCCC(=O)N(CCC)[C@H]1CC[N@@H+](C[C@H](C)CC)C1 ZINC001567682779 961393792 /nfs/dbraw/zinc/39/37/92/961393792.db2.gz PDAYCVMQPABUBZ-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)CC[N@H+](C)CC1CCN(C(=O)c2ccco2)CC1 ZINC001567745288 961414159 /nfs/dbraw/zinc/41/41/59/961414159.db2.gz LYOYGPBZWPYANN-UHFFFAOYSA-N 1 1 290.407 3.030 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@](C)(C=C)CC)C1 ZINC001567776616 961424213 /nfs/dbraw/zinc/42/42/13/961424213.db2.gz FEYZUOZYVHLNQN-RDJZCZTQSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)C2(CF)CCC2)C1 ZINC001567896670 961455818 /nfs/dbraw/zinc/45/58/18/961455818.db2.gz OWMWPOQTAYXKEE-OAHLLOKOSA-N 1 1 296.430 3.063 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)C2CC3(CCC3)C2)C1 ZINC001567919191 961462331 /nfs/dbraw/zinc/46/23/31/961462331.db2.gz WMHUYOJAJHTVEF-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C/C(C)=C/CC(=O)N(CC)[C@@H]1CC[N@@H+](CCC(=C)C)C1 ZINC001567940516 961471871 /nfs/dbraw/zinc/47/18/71/961471871.db2.gz HKSGSGWQCBOXQW-QLGNDSFESA-N 1 1 290.451 3.398 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H](CCC)C(C)C)C1 ZINC001567942637 961474767 /nfs/dbraw/zinc/47/47/67/961474767.db2.gz RBLJGNACSVTLBZ-SJORKVTESA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001567941499 961475992 /nfs/dbraw/zinc/47/59/92/961475992.db2.gz BBXDGPCDGVCPQH-IXDOHACOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC2(C1)CCN(C(=O)C=C(CC)CC)CC2 ZINC001568156183 961518568 /nfs/dbraw/zinc/51/85/68/961518568.db2.gz QCNXJINGGHQNTE-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@H](C)NC(=O)/C(C)=C/CC ZINC001569107771 961686968 /nfs/dbraw/zinc/68/69/68/961686968.db2.gz XDLDECCRSDATMY-CMOQBRTCSA-N 1 1 266.429 3.134 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)c1cccc(C)c1 ZINC001569141106 961694773 /nfs/dbraw/zinc/69/47/73/961694773.db2.gz KMRMDYDGTWPSFS-HZPDHXFCSA-N 1 1 288.435 3.111 20 30 CGEDMO C=CCC1(C(=O)N[C@@H](C)C[N@@H+](C)CC2CC2)CCCCC1 ZINC001569152471 961711534 /nfs/dbraw/zinc/71/15/34/961711534.db2.gz BTCNISSQHHITMN-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)c1ccsc1C ZINC001569356200 961740501 /nfs/dbraw/zinc/74/05/01/961740501.db2.gz SGRIQNMGMPGPIL-OCCSQVGLSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCCC1(C)C ZINC001569386331 961756987 /nfs/dbraw/zinc/75/69/87/961756987.db2.gz MARJAABZIZSHJF-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)F ZINC001569442769 961768368 /nfs/dbraw/zinc/76/83/68/961768368.db2.gz ISYNPBMWHFZWNU-KFWWJZLASA-N 1 1 296.430 3.155 20 30 CGEDMO CCCCCCC[NH+]1CC(N(C)C(=O)c2ccoc2)C1 ZINC001569483722 961778251 /nfs/dbraw/zinc/77/82/51/961778251.db2.gz UWKGOZVQPFVNPR-UHFFFAOYSA-N 1 1 278.396 3.006 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@]1(C)CC[N@@H+](CCCCCF)C1 ZINC001569639009 961814151 /nfs/dbraw/zinc/81/41/51/961814151.db2.gz LKDOEGVTWZMJMJ-QGZVFWFLSA-N 1 1 298.446 3.309 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)/C(C)=C\CC)C1 ZINC001569710177 961832814 /nfs/dbraw/zinc/83/28/14/961832814.db2.gz OYRQDMUYIHEKTE-VXXVJXPCSA-N 1 1 298.858 3.314 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)/C(C)=C\CC)C1 ZINC001569710177 961832832 /nfs/dbraw/zinc/83/28/32/961832832.db2.gz OYRQDMUYIHEKTE-VXXVJXPCSA-N 1 1 298.858 3.314 20 30 CGEDMO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1(C)CCC1)C2 ZINC001569860194 961865212 /nfs/dbraw/zinc/86/52/12/961865212.db2.gz MRPBGNJFRRZCNI-MUJYYYPQSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)C(CC)CC)[C@@H]2C1 ZINC001569916723 961873315 /nfs/dbraw/zinc/87/33/15/961873315.db2.gz AVBAPSPNEWCTLS-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](C)CC)CC1 ZINC001570175587 961917421 /nfs/dbraw/zinc/91/74/21/961917421.db2.gz XMVPTXIISGXYEK-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO CCCCCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C)C#N ZINC001570525656 961983575 /nfs/dbraw/zinc/98/35/75/961983575.db2.gz GUNCTNGSFNUNPB-HOTGVXAUSA-N 1 1 293.455 3.039 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)c1cc(C)cs1 ZINC001570530462 961985090 /nfs/dbraw/zinc/98/50/90/961985090.db2.gz LHCFTKRYCPAUID-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@H]2C[N@H+](C)CCCCC)C1 ZINC001570540369 961990661 /nfs/dbraw/zinc/99/06/61/961990661.db2.gz OATFRLJEJYNLQP-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H](C)[N@H+](C)C[C@H](C)CC(C)C)C1 ZINC001570734456 962052814 /nfs/dbraw/zinc/05/28/14/962052814.db2.gz UTIDRIDWWVWMNF-GDBMZVCRSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)CNC(=O)c1ccc(C)c(C)c1Cl ZINC001570748404 962073421 /nfs/dbraw/zinc/07/34/21/962073421.db2.gz YVLKMFDLWDGQFG-LBPRGKRZSA-N 1 1 294.826 3.193 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)c1cc(C)c(CC)s1 ZINC001570750708 962077326 /nfs/dbraw/zinc/07/73/26/962077326.db2.gz YMOOEITWWUWGSM-ZDUSSCGKSA-N 1 1 294.464 3.245 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](CC)CCC ZINC001570827309 962096938 /nfs/dbraw/zinc/09/69/38/962096938.db2.gz OJSZUERMHLARQJ-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)C=C1CCC1 ZINC001570819948 962099205 /nfs/dbraw/zinc/09/92/05/962099205.db2.gz HIMWBPZRIIGOAK-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)[C@H]2CC23CC3)CC1 ZINC001571334404 962137709 /nfs/dbraw/zinc/13/77/09/962137709.db2.gz XFWYPUCYBKUHFG-GDBMZVCRSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[C@@H](C)C2)CC1 ZINC001571333557 962138236 /nfs/dbraw/zinc/13/82/36/962138236.db2.gz VLYWKGFQESNSKF-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)CCCC)[C@@H]1C ZINC001571515607 962171970 /nfs/dbraw/zinc/17/19/70/962171970.db2.gz ULFIGEGTWITITN-LSDHHAIUSA-N 1 1 266.429 3.112 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)c1cccc(C)c1)C(C)C ZINC001571609956 962183195 /nfs/dbraw/zinc/18/31/95/962183195.db2.gz ZQSKYDIAPTYOOA-UHFFFAOYSA-N 1 1 288.435 3.354 20 30 CGEDMO C=CCC(C)(C)C(=O)N1C[C@@H](C)[NH2+]Cc2ccc(F)cc21 ZINC001574888182 962333129 /nfs/dbraw/zinc/33/31/29/962333129.db2.gz GSQSLZTVIONUKQ-GFCCVEGCSA-N 1 1 290.382 3.253 20 30 CGEDMO C=CCCCCC[N@H+](C)CCc1ccc(-c2nn[nH]n2)cc1 ZINC001588593584 963284761 /nfs/dbraw/zinc/28/47/61/963284761.db2.gz DVJVATVGRLJFAE-UHFFFAOYSA-N 1 1 299.422 3.087 20 30 CGEDMO C=CC[C@H]1CC[C@H]([NH2+]CCCN2CCCCC2)C1 ZINC000651669445 398265640 /nfs/dbraw/zinc/26/56/40/398265640.db2.gz VIJYQUDEGWQTQB-HOTGVXAUSA-N 1 1 250.430 3.197 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2nccnc2C)CCCC1(C)C ZINC000621725441 349567899 /nfs/dbraw/zinc/56/78/99/349567899.db2.gz OQKNUVYBZAYQQM-HNNXBMFYSA-N 1 1 259.397 3.352 20 30 CGEDMO C[N@@H+]1CC[C@]2(CCN(Cc3ccc(C(C)(C)C#N)cc3)C2)C1 ZINC000590021367 346822782 /nfs/dbraw/zinc/82/27/82/346822782.db2.gz LIARCAXWLDRTPR-IBGZPJMESA-N 1 1 297.446 3.015 20 30 CGEDMO C[N@H+]1CC[C@]2(CCN(Cc3ccc(C(C)(C)C#N)cc3)C2)C1 ZINC000590021367 346822784 /nfs/dbraw/zinc/82/27/84/346822784.db2.gz LIARCAXWLDRTPR-IBGZPJMESA-N 1 1 297.446 3.015 20 30 CGEDMO CN1CC[C@]2(CC[N@H+](Cc3ccc(C(C)(C)C#N)cc3)C2)C1 ZINC000590021367 346822788 /nfs/dbraw/zinc/82/27/88/346822788.db2.gz LIARCAXWLDRTPR-IBGZPJMESA-N 1 1 297.446 3.015 20 30 CGEDMO CN1CC[C@]2(CC[N@@H+](Cc3ccc(C(C)(C)C#N)cc3)C2)C1 ZINC000590021367 346822792 /nfs/dbraw/zinc/82/27/92/346822792.db2.gz LIARCAXWLDRTPR-IBGZPJMESA-N 1 1 297.446 3.015 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000590022551 346822842 /nfs/dbraw/zinc/82/28/42/346822842.db2.gz AKUZRARFEIPSLL-GOSISDBHSA-N 1 1 284.403 3.115 20 30 CGEDMO Cc1cnc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)s1 ZINC000590653786 346859467 /nfs/dbraw/zinc/85/94/67/346859467.db2.gz UGZAYNAWEPCHSK-CQSZACIVSA-N 1 1 269.373 3.100 20 30 CGEDMO C=CC[C@@H]1CC[C@@H]([NH2+]C2CCN(CCC)CC2)C1 ZINC000651749773 398282017 /nfs/dbraw/zinc/28/20/17/398282017.db2.gz JRHJGCGZFWCUIP-GDBMZVCRSA-N 1 1 250.430 3.195 20 30 CGEDMO C=C(Cl)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000096971052 185144232 /nfs/dbraw/zinc/14/42/32/185144232.db2.gz JOIYXWQQMUQJIG-CQSZACIVSA-N 1 1 281.783 3.126 20 30 CGEDMO C=C(Cl)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000096971052 185144233 /nfs/dbraw/zinc/14/42/33/185144233.db2.gz JOIYXWQQMUQJIG-CQSZACIVSA-N 1 1 281.783 3.126 20 30 CGEDMO CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000590748310 346871541 /nfs/dbraw/zinc/87/15/41/346871541.db2.gz RMQCIVKRMMVPJT-NVXWUHKLSA-N 1 1 286.419 3.081 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@@H]1C ZINC000590757363 346872760 /nfs/dbraw/zinc/87/27/60/346872760.db2.gz SANUHBRXVOGUDL-WMLDXEAASA-N 1 1 286.419 3.345 20 30 CGEDMO CC(C)c1csc(C[NH2+]Cc2cccc(C#N)c2)n1 ZINC000125633387 187193944 /nfs/dbraw/zinc/19/39/44/187193944.db2.gz PMYDXONJNDWSGK-UHFFFAOYSA-N 1 1 271.389 3.428 20 30 CGEDMO CCC(CC)[N@H+](CC(=O)N(CC)C[C@@H](C)C#N)CC(C)C ZINC000347543045 282173708 /nfs/dbraw/zinc/17/37/08/282173708.db2.gz XSNPSJCFZDLEGK-HNNXBMFYSA-N 1 1 295.471 3.141 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1C2CCCC1CCC2 ZINC000590953255 346890260 /nfs/dbraw/zinc/89/02/60/346890260.db2.gz FHSRHFNPNUSJJZ-UHFFFAOYSA-N 1 1 285.347 3.373 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@H](C3CCC3)C2)cc1C#N ZINC000591063417 346898328 /nfs/dbraw/zinc/89/83/28/346898328.db2.gz YIMMOUMCHWWQAY-HNNXBMFYSA-N 1 1 270.376 3.189 20 30 CGEDMO CO[C@@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)CC1 ZINC000591026600 346895938 /nfs/dbraw/zinc/89/59/38/346895938.db2.gz CFLFQJBEFYLFHH-OAHLLOKOSA-N 1 1 264.413 3.351 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000591045376 346897645 /nfs/dbraw/zinc/89/76/45/346897645.db2.gz VCZYSTPGJFIBCS-RTBURBONSA-N 1 1 292.382 3.175 20 30 CGEDMO C=CCCCC[N@@H+]1Cc2ccccc2NC(=O)[C@H]1C ZINC000623291721 349776295 /nfs/dbraw/zinc/77/62/95/349776295.db2.gz RMPXLVZCPWSTCY-CYBMUJFWSA-N 1 1 258.365 3.186 20 30 CGEDMO C=CCCCC[N@H+]1Cc2ccccc2NC(=O)[C@H]1C ZINC000623291721 349776298 /nfs/dbraw/zinc/77/62/98/349776298.db2.gz RMPXLVZCPWSTCY-CYBMUJFWSA-N 1 1 258.365 3.186 20 30 CGEDMO CCc1ccccc1[C@H]([NH3+])CN[C@@H](C)c1ccc(C#N)cc1 ZINC000423507789 529616923 /nfs/dbraw/zinc/61/69/23/529616923.db2.gz QLKFCCYRMAWRQK-IFXJQAMLSA-N 1 1 293.414 3.471 20 30 CGEDMO CC[C@H](NC[C@H](C)[NH+](CC)CC)c1ccc(C#N)cc1 ZINC000359029584 529617707 /nfs/dbraw/zinc/61/77/07/529617707.db2.gz MCRUDSNBOWQGTF-YOEHRIQHSA-N 1 1 273.424 3.329 20 30 CGEDMO CC[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437138560 529691413 /nfs/dbraw/zinc/69/14/13/529691413.db2.gz XOYJGTYPLQDVCE-JTQLQIEISA-N 1 1 268.307 3.390 20 30 CGEDMO C=C(C)COCC[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000623449673 349812315 /nfs/dbraw/zinc/81/23/15/349812315.db2.gz HCMXSSBAYCZKMW-UHFFFAOYSA-N 1 1 275.726 3.301 20 30 CGEDMO CCc1ncc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cn1 ZINC000425368416 529752340 /nfs/dbraw/zinc/75/23/40/529752340.db2.gz WRXFVNAAZNHUMO-CYBMUJFWSA-N 1 1 280.375 3.104 20 30 CGEDMO CCc1ncc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cn1 ZINC000425368416 529752341 /nfs/dbraw/zinc/75/23/41/529752341.db2.gz WRXFVNAAZNHUMO-CYBMUJFWSA-N 1 1 280.375 3.104 20 30 CGEDMO Cc1ccccc1[C@H](C)[N@H+](C)Cc1ccncc1C#N ZINC000592062787 346958086 /nfs/dbraw/zinc/95/80/86/346958086.db2.gz FBBKKBDQEACJCE-AWEZNQCLSA-N 1 1 265.360 3.455 20 30 CGEDMO Cc1ccccc1[C@H](C)[N@@H+](C)Cc1ccncc1C#N ZINC000592062787 346958088 /nfs/dbraw/zinc/95/80/88/346958088.db2.gz FBBKKBDQEACJCE-AWEZNQCLSA-N 1 1 265.360 3.455 20 30 CGEDMO CN(CCC[N@H+]1CCC[C@](C)(C#N)C1)c1ccccc1 ZINC000592099313 346962422 /nfs/dbraw/zinc/96/24/22/346962422.db2.gz FINSTYMKHOCMCI-QGZVFWFLSA-N 1 1 271.408 3.139 20 30 CGEDMO Cc1ccc([C@H]2CC[N@@H+](Cc3ccncc3C#N)C2)cc1 ZINC000592101334 346962700 /nfs/dbraw/zinc/96/27/00/346962700.db2.gz QTZSMRJJKOIGPM-KRWDZBQOSA-N 1 1 277.371 3.251 20 30 CGEDMO CCC[N@@H+](CCc1cccs1)Cc1ccncc1C#N ZINC000592101581 346963192 /nfs/dbraw/zinc/96/31/92/346963192.db2.gz BXZOTVJVCRLHQC-UHFFFAOYSA-N 1 1 285.416 3.469 20 30 CGEDMO N#Cc1cnccc1C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000592072521 346960021 /nfs/dbraw/zinc/96/00/21/346960021.db2.gz OHEGDQBPINMXIX-MRXNPFEDSA-N 1 1 277.371 3.018 20 30 CGEDMO N#Cc1cnccc1C[NH+]1CCC(C2CCCC2)CC1 ZINC000592072068 346960663 /nfs/dbraw/zinc/96/06/63/346960663.db2.gz IKNOZFXTJUANTM-UHFFFAOYSA-N 1 1 269.392 3.355 20 30 CGEDMO N#CC[C@@]1(O)CC[N@@H+](CC2CCC(c3ccccc3)CC2)C1 ZINC000592150682 346967064 /nfs/dbraw/zinc/96/70/64/346967064.db2.gz GKBGCFRNDAHDCL-NKELODKYSA-N 1 1 298.430 3.311 20 30 CGEDMO C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592151836 346967780 /nfs/dbraw/zinc/96/77/80/346967780.db2.gz RSDVIQVELOOVJU-KBXCAEBGSA-N 1 1 286.419 3.396 20 30 CGEDMO C[C@H]1CC2(C[N@H+]1Cc1cc(C#N)ccc1F)CCOCC2 ZINC000592181078 346969426 /nfs/dbraw/zinc/96/94/26/346969426.db2.gz BRRYTSWQUCIWPY-ZDUSSCGKSA-N 1 1 288.366 3.088 20 30 CGEDMO C[N@H+](Cc1ccncc1C#N)CC1(c2ccccc2)CC1 ZINC000592116511 346964121 /nfs/dbraw/zinc/96/41/21/346964121.db2.gz VOCSLTFRUSHVDC-UHFFFAOYSA-N 1 1 277.371 3.117 20 30 CGEDMO C[N@@H+](Cc1ccncc1C#N)CC1(c2ccccc2)CC1 ZINC000592116511 346964126 /nfs/dbraw/zinc/96/41/26/346964126.db2.gz VOCSLTFRUSHVDC-UHFFFAOYSA-N 1 1 277.371 3.117 20 30 CGEDMO C[N@@H+](CCCCNc1cccc(Cl)c1C#N)C1CC1 ZINC000413344812 529884333 /nfs/dbraw/zinc/88/43/33/529884333.db2.gz DLUIMTSYNMDKSG-UHFFFAOYSA-N 1 1 277.799 3.498 20 30 CGEDMO C[C@H]1CC2(C[N@H+]1Cc1cc(C#N)cs1)CCOCC2 ZINC000592528420 346996846 /nfs/dbraw/zinc/99/68/46/346996846.db2.gz RLAWLAZIRYRSJW-LBPRGKRZSA-N 1 1 276.405 3.011 20 30 CGEDMO CC[N@@H+](CCCNC(=O)[C@](C)(C#N)CC)C1CCCCC1 ZINC000593249056 347056613 /nfs/dbraw/zinc/05/66/13/347056613.db2.gz GCCVBLVZPXGNPN-KRWDZBQOSA-N 1 1 293.455 3.087 20 30 CGEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@H](O)C1CCCCC1 ZINC000330347570 530052088 /nfs/dbraw/zinc/05/20/88/530052088.db2.gz HUJGEVOLUMQKOK-CVEARBPZSA-N 1 1 296.455 3.149 20 30 CGEDMO C[C@@H]1COCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000026452178 344906704 /nfs/dbraw/zinc/90/67/04/344906704.db2.gz NVXDYJARJUYMJE-OAHLLOKOSA-N 1 1 292.382 3.446 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000046088717 345034604 /nfs/dbraw/zinc/03/46/04/345034604.db2.gz RSZWPQKRRZCHAD-OAHLLOKOSA-N 1 1 290.432 3.086 20 30 CGEDMO C=CC[N@H+](CCCC(=O)OCC)Cc1cccs1 ZINC000057621104 345184220 /nfs/dbraw/zinc/18/42/20/345184220.db2.gz DKDLWSGONRGVCF-UHFFFAOYSA-N 1 1 267.394 3.079 20 30 CGEDMO C=CC[N@H+](CCn1nc(C)cc1C)Cc1ccc(OC)cc1 ZINC000068811623 345363958 /nfs/dbraw/zinc/36/39/58/345363958.db2.gz YFSQPKOTVFQNBJ-UHFFFAOYSA-N 1 1 299.418 3.197 20 30 CGEDMO CCC[N@@H+](C)C[C@@H]1CCN(c2ccc(C#N)c(Cl)c2)C1 ZINC000078563040 345613876 /nfs/dbraw/zinc/61/38/76/345613876.db2.gz ILFGHWUALPNKNC-ZDUSSCGKSA-N 1 1 291.826 3.380 20 30 CGEDMO N#CCCCC[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000084134078 345729924 /nfs/dbraw/zinc/72/99/24/345729924.db2.gz XVHQUSNAWLKJBD-QGZVFWFLSA-N 1 1 272.392 3.014 20 30 CGEDMO C=CCCC[C@@H](C)N1CCC([NH+]2CCCC2)CC1 ZINC000091508796 345817840 /nfs/dbraw/zinc/81/78/40/345817840.db2.gz ZHYWUHJTGMSFRS-OAHLLOKOSA-N 1 1 250.430 3.291 20 30 CGEDMO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CC(C)(C)CCC#N ZINC000093360395 345876862 /nfs/dbraw/zinc/87/68/62/345876862.db2.gz DOXIATVXMRRHLX-CYBMUJFWSA-N 1 1 297.443 3.161 20 30 CGEDMO CC(C)(C#N)CC[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000119967801 345996136 /nfs/dbraw/zinc/99/61/36/345996136.db2.gz FKFREBMYFGHDAZ-QGZVFWFLSA-N 1 1 286.419 3.260 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)cc1C#N ZINC000135016860 346085831 /nfs/dbraw/zinc/08/58/31/346085831.db2.gz LHVPUVDPFCXBDW-HOCLYGCPSA-N 1 1 270.376 3.331 20 30 CGEDMO CCCCc1ccc(-c2csc(NC(N)=[NH2+])n2)cc1 ZINC000145233347 346119597 /nfs/dbraw/zinc/11/95/97/346119597.db2.gz OIBXYNVSGROEKL-UHFFFAOYSA-N 1 1 274.393 3.058 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](CCO)Cc2ccccc2)c1 ZINC000158306695 346164548 /nfs/dbraw/zinc/16/45/48/346164548.db2.gz NJNIXQCVQGPJGS-UHFFFAOYSA-N 1 1 297.398 3.246 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000190637516 346264571 /nfs/dbraw/zinc/26/45/71/346264571.db2.gz UDOJPWNCZJCUFM-HLLBOEOZSA-N 1 1 280.456 3.073 20 30 CGEDMO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000230616839 346321456 /nfs/dbraw/zinc/32/14/56/346321456.db2.gz CNPYZMKPSYRQHG-SECBINFHSA-N 1 1 273.311 3.153 20 30 CGEDMO CC[N@H+]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C ZINC000250386309 346385642 /nfs/dbraw/zinc/38/56/42/346385642.db2.gz XONDCWHYGYZJHE-LLVKDONJSA-N 1 1 297.324 3.107 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000293768409 346431590 /nfs/dbraw/zinc/43/15/90/346431590.db2.gz KRDRPBIEZWAHBB-OAHLLOKOSA-N 1 1 299.418 3.253 20 30 CGEDMO C=CCOCC[N@H+]1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000293768409 346431591 /nfs/dbraw/zinc/43/15/91/346431591.db2.gz KRDRPBIEZWAHBB-OAHLLOKOSA-N 1 1 299.418 3.253 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000293768409 346431592 /nfs/dbraw/zinc/43/15/92/346431592.db2.gz KRDRPBIEZWAHBB-OAHLLOKOSA-N 1 1 299.418 3.253 20 30 CGEDMO C=CCCCCC[N@@H+](C)Cc1nncn1C(C)C ZINC000292322629 346427635 /nfs/dbraw/zinc/42/76/35/346427635.db2.gz FLEFWKZVVLDPJT-UHFFFAOYSA-N 1 1 250.390 3.037 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1nncn1C(C)C ZINC000292322629 346427638 /nfs/dbraw/zinc/42/76/38/346427638.db2.gz FLEFWKZVVLDPJT-UHFFFAOYSA-N 1 1 250.390 3.037 20 30 CGEDMO N#CCC[C@@H]([NH2+]C1CCN(C2CC2)CC1)c1ccccc1 ZINC000297289599 346434887 /nfs/dbraw/zinc/43/48/87/346434887.db2.gz AIEVAAOEJQDALO-GOSISDBHSA-N 1 1 283.419 3.248 20 30 CGEDMO COCC[N@@H+](CCC#N)C[C@@H](C)C1CCCCC1 ZINC000311179065 346472864 /nfs/dbraw/zinc/47/28/64/346472864.db2.gz WMPAPZTUFVWXPQ-CQSZACIVSA-N 1 1 252.402 3.065 20 30 CGEDMO CC[N@H+]1CCCN(Cc2ccc(C#N)cc2Cl)[C@@H](C)C1 ZINC000320714145 346489825 /nfs/dbraw/zinc/48/98/25/346489825.db2.gz QIHGEGXPXLPNHT-ZDUSSCGKSA-N 1 1 291.826 3.128 20 30 CGEDMO CC[C@@H](C)[N@@H+](CCO)Cc1ccc(C(C)(C)C#N)cc1 ZINC000588212138 346756773 /nfs/dbraw/zinc/75/67/73/346756773.db2.gz GUKZWXFXTAXCKC-CQSZACIVSA-N 1 1 274.408 3.081 20 30 CGEDMO CCOC1CC2(C1)CC[N@@H+](Cc1ccc(C#N)cc1C)C2 ZINC000586784213 346735447 /nfs/dbraw/zinc/73/54/47/346735447.db2.gz TVVYWPWJXTUFPI-UHFFFAOYSA-N 1 1 284.403 3.258 20 30 CGEDMO Cc1cc(-c2noc([C@H]([NH3+])CCCCC#N)n2)ccc1F ZINC000593943363 347120700 /nfs/dbraw/zinc/12/07/00/347120700.db2.gz MUEKSRNUDMOCGX-CYBMUJFWSA-N 1 1 288.326 3.268 20 30 CGEDMO CC[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccccc1F ZINC000594019713 347138052 /nfs/dbraw/zinc/13/80/52/347138052.db2.gz SADASJAZJHLJLB-MRXNPFEDSA-N 1 1 269.323 3.333 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)c1 ZINC000594026332 347139021 /nfs/dbraw/zinc/13/90/21/347139021.db2.gz JEOBXGZGROBCMA-MRXNPFEDSA-N 1 1 288.366 3.231 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](OC3CCC3)C2)c1 ZINC000594026332 347139025 /nfs/dbraw/zinc/13/90/25/347139025.db2.gz JEOBXGZGROBCMA-MRXNPFEDSA-N 1 1 288.366 3.231 20 30 CGEDMO C[C@@H](CCC#N)[N@@H+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000594035298 347141029 /nfs/dbraw/zinc/14/10/29/347141029.db2.gz ODFRDYFYZPMKTK-JTQLQIEISA-N 1 1 282.290 3.132 20 30 CGEDMO CC[N@@H+](CCCNC(=O)CCCCC#N)C1CCCCC1 ZINC000594064268 347147652 /nfs/dbraw/zinc/14/76/52/347147652.db2.gz MGUVQJFYQSOWJV-UHFFFAOYSA-N 1 1 293.455 3.231 20 30 CGEDMO CC(C)[C@@H]1CN(c2cccc(C(F)F)c2C#N)CC[N@H+]1C ZINC000594575204 347195094 /nfs/dbraw/zinc/19/50/94/347195094.db2.gz MBAHVWFBKCLMRA-HNNXBMFYSA-N 1 1 293.361 3.272 20 30 CGEDMO CC[C@H](CNCc1ccc(C(C)(C)C#N)cc1)[NH+]1CCCC1 ZINC000594494274 347177376 /nfs/dbraw/zinc/17/73/76/347177376.db2.gz DXMOWXVHQKAYDU-GOSISDBHSA-N 1 1 299.462 3.452 20 30 CGEDMO CCC[N@@H+]1CC[C@@H](CNCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594496857 347178612 /nfs/dbraw/zinc/17/86/12/347178612.db2.gz XUXXWVDPWMKLKG-KRWDZBQOSA-N 1 1 299.462 3.309 20 30 CGEDMO CCC[N@H+]1CC[C@@H](CNCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594496857 347178614 /nfs/dbraw/zinc/17/86/14/347178614.db2.gz XUXXWVDPWMKLKG-KRWDZBQOSA-N 1 1 299.462 3.309 20 30 CGEDMO CC(C)(C#N)c1ccc(CN[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000594497785 347179538 /nfs/dbraw/zinc/17/95/38/347179538.db2.gz GLUYDOBASTXTDY-SFHVURJKSA-N 1 1 297.446 3.062 20 30 CGEDMO CC(C)(C#N)c1ccc(CN[C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000594497785 347179540 /nfs/dbraw/zinc/17/95/40/347179540.db2.gz GLUYDOBASTXTDY-SFHVURJKSA-N 1 1 297.446 3.062 20 30 CGEDMO CC(C)(C)n1cc(C[NH2+]CC2(C#N)CCCCC2)cn1 ZINC000594994225 347251306 /nfs/dbraw/zinc/25/13/06/347251306.db2.gz ILABOTHOMFVGLW-UHFFFAOYSA-N 1 1 274.412 3.202 20 30 CGEDMO CC(C)n1nccc1C[NH2+]CC1(C#N)CCCCC1 ZINC000594981251 347248050 /nfs/dbraw/zinc/24/80/50/347248050.db2.gz MDPOJTCXFYNIIA-UHFFFAOYSA-N 1 1 260.385 3.028 20 30 CGEDMO CCc1nc(C[N@H+](C)CCc2ccc(C#N)cc2)cs1 ZINC000595293702 347287186 /nfs/dbraw/zinc/28/71/86/347287186.db2.gz DUASBPVFOCIKNZ-UHFFFAOYSA-N 1 1 285.416 3.252 20 30 CGEDMO CCc1nc(C[N@@H+](C)CCc2ccc(C#N)cc2)cs1 ZINC000595293702 347287188 /nfs/dbraw/zinc/28/71/88/347287188.db2.gz DUASBPVFOCIKNZ-UHFFFAOYSA-N 1 1 285.416 3.252 20 30 CGEDMO C[N@@H+](CCc1ccc(C#N)cc1)Cc1ccsc1 ZINC000595290595 347287824 /nfs/dbraw/zinc/28/78/24/347287824.db2.gz WZVBRLDGOYZFBQ-UHFFFAOYSA-N 1 1 256.374 3.294 20 30 CGEDMO CN1CC[N@@H+](CCc2ccc(C#N)cc2)Cc2ccccc21 ZINC000595306521 347290271 /nfs/dbraw/zinc/29/02/71/347290271.db2.gz NVIDJXRPSARLIK-UHFFFAOYSA-N 1 1 291.398 3.053 20 30 CGEDMO Cc1nc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(C)o1 ZINC000595406203 347299125 /nfs/dbraw/zinc/29/91/25/347299125.db2.gz AQZIHBLOWODMAS-UHFFFAOYSA-N 1 1 293.370 3.452 20 30 CGEDMO Cc1nc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(C)o1 ZINC000595406203 347299129 /nfs/dbraw/zinc/29/91/29/347299129.db2.gz AQZIHBLOWODMAS-UHFFFAOYSA-N 1 1 293.370 3.452 20 30 CGEDMO COc1cccc([C@H](C)[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595615412 347327742 /nfs/dbraw/zinc/32/77/42/347327742.db2.gz QTBNUHAAHKPVJJ-KBPBESRZSA-N 1 1 258.365 3.382 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000595617450 347328483 /nfs/dbraw/zinc/32/84/83/347328483.db2.gz ZUGJFSOIQFAYSQ-ZDUSSCGKSA-N 1 1 281.359 3.066 20 30 CGEDMO CC(C)(C)OCCCC[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595623114 347329184 /nfs/dbraw/zinc/32/91/84/347329184.db2.gz HVUUMQCUUIZHLG-AWEZNQCLSA-N 1 1 252.402 3.207 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccccc2OC2CC2)C1 ZINC000595623935 347329507 /nfs/dbraw/zinc/32/95/07/347329507.db2.gz ZAUXTHNNVSHVRJ-CQSZACIVSA-N 1 1 270.376 3.353 20 30 CGEDMO COc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595623595 347329564 /nfs/dbraw/zinc/32/95/64/347329564.db2.gz UTMSTUSTPLUFBO-LBPRGKRZSA-N 1 1 278.783 3.474 20 30 CGEDMO COc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595623595 347329567 /nfs/dbraw/zinc/32/95/67/347329567.db2.gz UTMSTUSTPLUFBO-LBPRGKRZSA-N 1 1 278.783 3.474 20 30 CGEDMO N#Cc1ccc(NC(=O)C[NH+]2CCC(C3CCC3)CC2)cc1 ZINC000595657945 347334131 /nfs/dbraw/zinc/33/41/31/347334131.db2.gz CWPMTZQKYWCVCD-UHFFFAOYSA-N 1 1 297.402 3.009 20 30 CGEDMO Cc1cc(C#N)ccc1C[NH2+][C@H](C)c1cscn1 ZINC000595669741 347335225 /nfs/dbraw/zinc/33/52/25/347335225.db2.gz ZJATVNJSGMRTJD-LLVKDONJSA-N 1 1 257.362 3.174 20 30 CGEDMO Cc1cc(C[N@@H+]2CC3(CCC3)OC[C@@H]2C)ccc1C#N ZINC000595682283 347336516 /nfs/dbraw/zinc/33/65/16/347336516.db2.gz QMSGKDZSKAKJNY-AWEZNQCLSA-N 1 1 270.376 3.010 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@@H](C3CCCCC3)C2)ccn1 ZINC000595731647 347348712 /nfs/dbraw/zinc/34/87/12/347348712.db2.gz AZCBMFKVNUPCSU-MRXNPFEDSA-N 1 1 269.392 3.355 20 30 CGEDMO C=CC[N@H+](CCOc1ccc(C#N)cc1OC)C(C)(C)C ZINC000595763612 347352607 /nfs/dbraw/zinc/35/26/07/347352607.db2.gz RPCLFHAFVIPENA-UHFFFAOYSA-N 1 1 288.391 3.232 20 30 CGEDMO CN1CC[C@]2(C1)CCC[N@H+](CCCCC(C)(C)C#N)C2 ZINC000595503987 347312900 /nfs/dbraw/zinc/31/29/00/347312900.db2.gz CMJHQIDBYCDNCN-KRWDZBQOSA-N 1 1 277.456 3.124 20 30 CGEDMO CN1CC[C@]2(C1)CCC[N@@H+](CCCCC(C)(C)C#N)C2 ZINC000595503987 347312902 /nfs/dbraw/zinc/31/29/02/347312902.db2.gz CMJHQIDBYCDNCN-KRWDZBQOSA-N 1 1 277.456 3.124 20 30 CGEDMO CC[C@H](C)[N@@H+](CC)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000595593673 347322788 /nfs/dbraw/zinc/32/27/88/347322788.db2.gz SKUBHPGBYBZEHK-NSHDSACASA-N 1 1 293.798 3.271 20 30 CGEDMO COc1cc(C#N)cc(OC[C@H]2CCCC[N@H+]2C(C)C)c1 ZINC000596280234 347410227 /nfs/dbraw/zinc/41/02/27/347410227.db2.gz WJVQIKUQHXXZAX-OAHLLOKOSA-N 1 1 288.391 3.209 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CCC[C@H](C3CCC3)C2)n1 ZINC000595832077 347362749 /nfs/dbraw/zinc/36/27/49/347362749.db2.gz HKFPHBYOCGQNGW-LBPRGKRZSA-N 1 1 261.394 3.027 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@H](C3CCC3)C2)n1 ZINC000595832077 347362751 /nfs/dbraw/zinc/36/27/51/347362751.db2.gz HKFPHBYOCGQNGW-LBPRGKRZSA-N 1 1 261.394 3.027 20 30 CGEDMO Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@@](C)(C#N)C3)cc2)n1 ZINC000595841503 347365320 /nfs/dbraw/zinc/36/53/20/347365320.db2.gz VKXJYRQYNBMXBN-SFHVURJKSA-N 1 1 294.402 3.225 20 30 CGEDMO Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@@](C)(C#N)C3)cc2)n1 ZINC000595841503 347365323 /nfs/dbraw/zinc/36/53/23/347365323.db2.gz VKXJYRQYNBMXBN-SFHVURJKSA-N 1 1 294.402 3.225 20 30 CGEDMO CCCCC[C@@H]1CCCC[N@H+]1CCC(=O)N(C)CCC#N ZINC000595870889 347369223 /nfs/dbraw/zinc/36/92/23/347369223.db2.gz LKAUBKPJHSWKKE-MRXNPFEDSA-N 1 1 293.455 3.183 20 30 CGEDMO C[N@@H+](Cc1nc(C#N)cs1)C[C@@H]1CCc2ccccc21 ZINC000595877879 347370095 /nfs/dbraw/zinc/37/00/95/347370095.db2.gz LBFPVMNGJNQXSZ-ZDUSSCGKSA-N 1 1 283.400 3.177 20 30 CGEDMO C[N@H+](Cc1nc(C#N)cs1)C[C@@H]1CCc2ccccc21 ZINC000595877879 347370098 /nfs/dbraw/zinc/37/00/98/347370098.db2.gz LBFPVMNGJNQXSZ-ZDUSSCGKSA-N 1 1 283.400 3.177 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)C[C@@](C)(C(F)F)O1 ZINC000595917415 347372749 /nfs/dbraw/zinc/37/27/49/347372749.db2.gz MIBKGGZOKXBNDX-DOMZBBRYSA-N 1 1 288.382 3.451 20 30 CGEDMO C[C@H](NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(C#N)cc1 ZINC000596097502 347383167 /nfs/dbraw/zinc/38/31/67/347383167.db2.gz YHCUQXDUACGOMI-MAUKXSAKSA-N 1 1 297.446 3.331 20 30 CGEDMO C[C@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(C#N)cc1 ZINC000596097502 347383170 /nfs/dbraw/zinc/38/31/70/347383170.db2.gz YHCUQXDUACGOMI-MAUKXSAKSA-N 1 1 297.446 3.331 20 30 CGEDMO Cc1cc(CO)cc(N[C@@H](CCC#N)c2ccccc2)[nH+]1 ZINC000596171099 347394042 /nfs/dbraw/zinc/39/40/42/347394042.db2.gz GEMAXUISDPPLBS-INIZCTEOSA-N 1 1 281.359 3.339 20 30 CGEDMO Cc1cc(-c2ccc(C[NH+]3CCOCC3)cc2)ccc1C#N ZINC000596637890 347495103 /nfs/dbraw/zinc/49/51/03/347495103.db2.gz YEMKKGYNSFYGSM-UHFFFAOYSA-N 1 1 292.382 3.366 20 30 CGEDMO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000597175688 347544228 /nfs/dbraw/zinc/54/42/28/347544228.db2.gz CXJSKGFMGCTLIV-CYBMUJFWSA-N 1 1 273.336 3.029 20 30 CGEDMO CCCn1nccc1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000596979715 347523868 /nfs/dbraw/zinc/52/38/68/347523868.db2.gz MHMPYPPNUAEVPK-UHFFFAOYSA-N 1 1 294.402 3.329 20 30 CGEDMO CCCn1nccc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000596979715 347523869 /nfs/dbraw/zinc/52/38/69/347523869.db2.gz MHMPYPPNUAEVPK-UHFFFAOYSA-N 1 1 294.402 3.329 20 30 CGEDMO CC(C)C[C@@H](CO)[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597131937 347538133 /nfs/dbraw/zinc/53/81/33/347538133.db2.gz YWOYVZHXOWKIRA-KRWDZBQOSA-N 1 1 286.419 3.081 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CC2(CCC2)O1 ZINC000597158328 347542701 /nfs/dbraw/zinc/54/27/01/347542701.db2.gz XGBPOILMPYSGTE-HNNXBMFYSA-N 1 1 296.414 3.385 20 30 CGEDMO Cc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)c(-c2cnn(C)c2)c1 ZINC000597232715 347560017 /nfs/dbraw/zinc/56/00/17/347560017.db2.gz WASBMVGCUGHEDN-SFHVURJKSA-N 1 1 294.402 3.131 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)c(-c2cnn(C)c2)c1 ZINC000597232715 347560019 /nfs/dbraw/zinc/56/00/19/347560019.db2.gz WASBMVGCUGHEDN-SFHVURJKSA-N 1 1 294.402 3.131 20 30 CGEDMO Cn1ncc2c1CC(C)(C)C[N@@H+](CC(C)(C)CCC#N)C2 ZINC000597258827 347563910 /nfs/dbraw/zinc/56/39/10/347563910.db2.gz SKSGUIUFYWSUMC-UHFFFAOYSA-N 1 1 288.439 3.134 20 30 CGEDMO N#CCC1C[NH+](Cc2ccc(Cl)c3cccnc23)C1 ZINC000597192921 347547399 /nfs/dbraw/zinc/54/73/99/347547399.db2.gz AQCBOIUYWDDFLJ-UHFFFAOYSA-N 1 1 271.751 3.234 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@H]2CCCc3scnc32)cc1F ZINC000599051736 347710979 /nfs/dbraw/zinc/71/09/79/347710979.db2.gz XKNOPLFRAAKHOL-ZDUSSCGKSA-N 1 1 287.363 3.321 20 30 CGEDMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598584315 347666180 /nfs/dbraw/zinc/66/61/80/347666180.db2.gz GFHJHVUYZJPXIF-WFASDCNBSA-N 1 1 278.371 3.119 20 30 CGEDMO CC(C)[N@H+](Cc1ccc(F)cc1)C[C@H](O)CC(C)(C)C#N ZINC000598586586 347667037 /nfs/dbraw/zinc/66/70/37/347667037.db2.gz IHXDVTHVVMVMJF-MRXNPFEDSA-N 1 1 292.398 3.337 20 30 CGEDMO C[C@@H](C1CCCCC1)[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598614683 347671177 /nfs/dbraw/zinc/67/11/77/347671177.db2.gz RLUPBUPRUKUTEX-DZGCQCFKSA-N 1 1 266.429 3.188 20 30 CGEDMO Cc1cccc(C[N@@H+](C)C[C@@H](O)CC(C)(C)C#N)c1C ZINC000598616690 347671218 /nfs/dbraw/zinc/67/12/18/347671218.db2.gz DXLXVAWODYJPHM-INIZCTEOSA-N 1 1 274.408 3.036 20 30 CGEDMO C/C(=C/c1ccccc1)C[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598612048 347671561 /nfs/dbraw/zinc/67/15/61/347671561.db2.gz YHIUHLPOBUHQIF-XBNGYDHASA-N 1 1 286.419 3.322 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCCC[C@H]1CC1CCC1 ZINC000598627545 347673068 /nfs/dbraw/zinc/67/30/68/347673068.db2.gz HMUHBPBSAJMBIG-HOTGVXAUSA-N 1 1 278.440 3.332 20 30 CGEDMO COC[C@H](C)[N@@H+](CCCC#N)[C@H]1CCc2ccccc21 ZINC000599683572 347766045 /nfs/dbraw/zinc/76/60/45/347766045.db2.gz RGSUBACYBSXJCU-YOEHRIQHSA-N 1 1 272.392 3.315 20 30 CGEDMO C[C@@H](C#N)C[N@H+](Cc1ccc2[nH]ccc2c1)C1CC1 ZINC000600121558 347782150 /nfs/dbraw/zinc/78/21/50/347782150.db2.gz WPCFHHQTGCFBKH-LBPRGKRZSA-N 1 1 253.349 3.292 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](Cc1ccc2[nH]ccc2c1)C1CC1 ZINC000600121558 347782153 /nfs/dbraw/zinc/78/21/53/347782153.db2.gz WPCFHHQTGCFBKH-LBPRGKRZSA-N 1 1 253.349 3.292 20 30 CGEDMO Cc1ccc(C[N@@H+](C)Cc2ccc3c(c2)OCO3)cc1C#N ZINC000599261770 347729423 /nfs/dbraw/zinc/72/94/23/347729423.db2.gz WRMXFTXCNPHQGK-UHFFFAOYSA-N 1 1 294.354 3.227 20 30 CGEDMO Cc1ccc(C[N@H+](C[C@@H](C)O)C2CCCCC2)cc1C#N ZINC000599284813 347732042 /nfs/dbraw/zinc/73/20/42/347732042.db2.gz DQHMXTLYGQDYNO-OAHLLOKOSA-N 1 1 286.419 3.382 20 30 CGEDMO CSCC[C@@H](C)[N@@H+](C)Cc1ccc(C)c(C#N)c1 ZINC000599329079 347736273 /nfs/dbraw/zinc/73/62/73/347736273.db2.gz DCJXEOOYSMKVKW-CYBMUJFWSA-N 1 1 262.422 3.440 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCSC[C@@H](C)C2)cc1C#N ZINC000599384770 347741637 /nfs/dbraw/zinc/74/16/37/347741637.db2.gz SPJWHCUKHGFXGZ-LBPRGKRZSA-N 1 1 260.406 3.052 20 30 CGEDMO Cc1ccc(C[N@H+]2CCOC[C@@H](C3CCC3)C2)cc1C#N ZINC000599425448 347742831 /nfs/dbraw/zinc/74/28/31/347742831.db2.gz HQEMYHFCAIGNIF-SFHVURJKSA-N 1 1 284.403 3.115 20 30 CGEDMO C[C@H](C#N)C[N@H+](C)CCc1cccc(C(F)(F)F)c1 ZINC000600111263 347780255 /nfs/dbraw/zinc/78/02/55/347780255.db2.gz ATNHFVORMJVDPL-LLVKDONJSA-N 1 1 270.298 3.339 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C)CCc1cccc(C(F)(F)F)c1 ZINC000600111263 347780257 /nfs/dbraw/zinc/78/02/57/347780257.db2.gz ATNHFVORMJVDPL-LLVKDONJSA-N 1 1 270.298 3.339 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1C#N ZINC000599438880 347745332 /nfs/dbraw/zinc/74/53/32/347745332.db2.gz SLHQDYLCUBTNAD-RBUKOAKNSA-N 1 1 298.430 3.240 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CCC(C)(C)CC(=O)OCC)C1 ZINC000599530065 347751455 /nfs/dbraw/zinc/75/14/55/347751455.db2.gz SQJFEVAZRNVAOG-CQSZACIVSA-N 1 1 267.413 3.254 20 30 CGEDMO COC1(C[N@H+]2CCc3c(CC#N)cccc3C2)CCCC1 ZINC000600212275 347793936 /nfs/dbraw/zinc/79/39/36/347793936.db2.gz BJFPTUMDINBKGY-UHFFFAOYSA-N 1 1 284.403 3.070 20 30 CGEDMO CC(C)Cc1ccccc1C[NH2+]C[C@@H](C#N)CCC#N ZINC000600599076 347812363 /nfs/dbraw/zinc/81/23/63/347812363.db2.gz CYVICCIBJWGQAJ-OAHLLOKOSA-N 1 1 269.392 3.418 20 30 CGEDMO C[C@]1(C#N)CCC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000600145493 347784750 /nfs/dbraw/zinc/78/47/50/347784750.db2.gz RWNKHEDOKYDFKO-MRXNPFEDSA-N 1 1 253.349 3.294 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000600145493 347784751 /nfs/dbraw/zinc/78/47/51/347784751.db2.gz RWNKHEDOKYDFKO-MRXNPFEDSA-N 1 1 253.349 3.294 20 30 CGEDMO COc1ccc(C[N@H+](C)CC(C)(C)C#N)cc1OC1CC1 ZINC000600170944 347788950 /nfs/dbraw/zinc/78/89/50/347788950.db2.gz UHXNWNYZXCFLAD-UHFFFAOYSA-N 1 1 288.391 3.218 20 30 CGEDMO COc1ccc(C[N@@H+](C)CC(C)(C)C#N)cc1OC1CC1 ZINC000600170944 347788954 /nfs/dbraw/zinc/78/89/54/347788954.db2.gz UHXNWNYZXCFLAD-UHFFFAOYSA-N 1 1 288.391 3.218 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@H+]2CC3(CCC3)[C@H]2c2ccccc2)CC1 ZINC000601957933 347929429 /nfs/dbraw/zinc/92/94/29/347929429.db2.gz KICJXEDINLMTST-IAGOWNOFSA-N 1 1 296.414 3.268 20 30 CGEDMO C[C@@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(C#N)c(F)c1 ZINC000602020489 347933970 /nfs/dbraw/zinc/93/39/70/347933970.db2.gz KKQXMHGARSBKDB-IUODEOHRSA-N 1 1 289.398 3.126 20 30 CGEDMO Cc1ccnc(N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1C#N ZINC000273318132 192110757 /nfs/dbraw/zinc/11/07/57/192110757.db2.gz JQGPLTIKTHZLRW-HUUCEWRRSA-N 1 1 298.434 3.327 20 30 CGEDMO N#Cc1cccc(C[NH2+][C@H]2CCOc3c(Cl)cccc32)n1 ZINC000602528346 347976396 /nfs/dbraw/zinc/97/63/96/347976396.db2.gz OPMVGOORRXUNCP-HNNXBMFYSA-N 1 1 299.761 3.220 20 30 CGEDMO CC[N@@H+](CCc1ccccc1)Cc1cccc(C#N)n1 ZINC000602441027 347958358 /nfs/dbraw/zinc/95/83/58/347958358.db2.gz RVKGQDIORUYIHE-UHFFFAOYSA-N 1 1 265.360 3.018 20 30 CGEDMO COc1ccc([C@H]2CC[N@@H+](C[C@@H](C)CCC#N)C2)cc1 ZINC000602465502 347962725 /nfs/dbraw/zinc/96/27/25/347962725.db2.gz RDSYARPOUZECLR-HOCLYGCPSA-N 1 1 272.392 3.424 20 30 CGEDMO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1cccc(C#N)n1 ZINC000602477322 347964923 /nfs/dbraw/zinc/96/49/23/347964923.db2.gz JQBCCRAYLIWKEU-DZGCQCFKSA-N 1 1 295.361 3.470 20 30 CGEDMO Cc1ccccc1[C@@H]1C[N@@H+](C[C@H](C)CCC#N)CCO1 ZINC000602474460 347965114 /nfs/dbraw/zinc/96/51/14/347965114.db2.gz PDYXFPANTOIDCS-PBHICJAKSA-N 1 1 272.392 3.308 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C)Cc1cc(Br)cn1C ZINC000602485631 347967690 /nfs/dbraw/zinc/96/76/90/347967690.db2.gz OMJYRZGGEAPDFR-NSHDSACASA-N 1 1 298.228 3.159 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000602487023 347967918 /nfs/dbraw/zinc/96/79/18/347967918.db2.gz YQDYTPBEFOOCCP-LLVKDONJSA-N 1 1 264.319 3.263 20 30 CGEDMO C[C@H](CC[NH2+]C[C@@H](C)CCC#N)N(C)Cc1ccccc1 ZINC000602572747 347985662 /nfs/dbraw/zinc/98/56/62/347985662.db2.gz MAQKKCNPEKTGGW-DLBZAZTESA-N 1 1 287.451 3.426 20 30 CGEDMO CC1(C#N)CC[NH+](Cc2ccc(C(F)F)nc2)CC1 ZINC000602605402 347992010 /nfs/dbraw/zinc/99/20/10/347992010.db2.gz JDGHLHFDLSOFDC-UHFFFAOYSA-N 1 1 265.307 3.145 20 30 CGEDMO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]Cc1cccc(C#N)n1 ZINC000602611409 347993922 /nfs/dbraw/zinc/99/39/22/347993922.db2.gz NOWKPJRWQLNSEI-GFCCVEGCSA-N 1 1 297.406 3.064 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000602620035 347995411 /nfs/dbraw/zinc/99/54/11/347995411.db2.gz KNDKSXADPGQHJY-AWEZNQCLSA-N 1 1 254.377 3.474 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000602685217 348008958 /nfs/dbraw/zinc/00/89/58/348008958.db2.gz ZIVLOWJOCRTYQU-CZUORRHYSA-N 1 1 276.355 3.139 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000602685217 348008960 /nfs/dbraw/zinc/00/89/60/348008960.db2.gz ZIVLOWJOCRTYQU-CZUORRHYSA-N 1 1 276.355 3.139 20 30 CGEDMO COc1cncc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1C ZINC000602691082 348009954 /nfs/dbraw/zinc/00/99/54/348009954.db2.gz BPGYAKWFMOTBKM-CQSZACIVSA-N 1 1 295.386 3.463 20 30 CGEDMO N#CCC1(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000602787670 348029063 /nfs/dbraw/zinc/02/90/63/348029063.db2.gz WAIIDONLIUQGMU-SJORKVTESA-N 1 1 279.387 3.452 20 30 CGEDMO N#CCC1(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000602787670 348029065 /nfs/dbraw/zinc/02/90/65/348029065.db2.gz WAIIDONLIUQGMU-SJORKVTESA-N 1 1 279.387 3.452 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(CC2(CC#N)CC2)C1 ZINC000602788643 348029815 /nfs/dbraw/zinc/02/98/15/348029815.db2.gz RDGLWMJUEKPECN-OWCLPIDISA-N 1 1 275.440 3.017 20 30 CGEDMO CC[N@@H+](Cc1ccc(OC)cc1OC)CC1(CC#N)CC1 ZINC000602765291 348025570 /nfs/dbraw/zinc/02/55/70/348025570.db2.gz JFZKLTNVQZSTNT-UHFFFAOYSA-N 1 1 288.391 3.220 20 30 CGEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCO[C@H]1C ZINC000602770103 348026428 /nfs/dbraw/zinc/02/64/28/348026428.db2.gz VRNQMXCJRNLCHS-WMLDXEAASA-N 1 1 272.392 3.194 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)CC1(CC#N)CC1 ZINC000602770075 348026476 /nfs/dbraw/zinc/02/64/76/348026476.db2.gz UWHQFDBTSFXVRV-UHFFFAOYSA-N 1 1 254.377 3.411 20 30 CGEDMO CCC[N@@H+](CC1(CC#N)CC1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000602778500 348027348 /nfs/dbraw/zinc/02/73/48/348027348.db2.gz IFFWPZIWVMAHJG-RRFJBIMHSA-N 1 1 276.424 3.206 20 30 CGEDMO N#Cc1cccc(C[NH2+]Cc2ccccc2OCC2CC2)n1 ZINC000602551387 347980846 /nfs/dbraw/zinc/98/08/46/347980846.db2.gz CTFYKSBRFKAGLR-UHFFFAOYSA-N 1 1 293.370 3.032 20 30 CGEDMO C[C@@H]1C[C@@H](Nc2cccc(-n3cccc3)c2C#N)CC[N@H+]1C ZINC000603298938 348069130 /nfs/dbraw/zinc/06/91/30/348069130.db2.gz ZQAUWDGJDONABO-CABCVRRESA-N 1 1 294.402 3.244 20 30 CGEDMO N#CCC1(CN[C@@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000602805774 348031478 /nfs/dbraw/zinc/03/14/78/348031478.db2.gz PZOSRAFMOCFLCI-SFHVURJKSA-N 1 1 297.446 3.497 20 30 CGEDMO N#CCC1(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)CC1 ZINC000602844553 348036197 /nfs/dbraw/zinc/03/61/97/348036197.db2.gz CYMCADOTAQFQMX-NSHDSACASA-N 1 1 260.303 3.345 20 30 CGEDMO C[C@@H](CC#N)[NH2+]CCOc1c(Cl)cccc1Cl ZINC000602865567 348038474 /nfs/dbraw/zinc/03/84/74/348038474.db2.gz WLDIXWINXPELDS-VIFPVBQESA-N 1 1 273.163 3.264 20 30 CGEDMO C[C@@H](CC#N)[NH2+]CCSc1cccc(Cl)c1 ZINC000602871465 348039045 /nfs/dbraw/zinc/03/90/45/348039045.db2.gz RWQDSKCGJOYQJW-JTQLQIEISA-N 1 1 254.786 3.324 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC000603000174 348053980 /nfs/dbraw/zinc/05/39/80/348053980.db2.gz WTUFVSZTAYAWKM-JKSUJKDBSA-N 1 1 278.440 3.189 20 30 CGEDMO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC000602999974 348054103 /nfs/dbraw/zinc/05/41/03/348054103.db2.gz QFMDMFYPKZGQGL-HOCLYGCPSA-N 1 1 259.397 3.332 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCOC(C)(C)C ZINC000604492815 348121571 /nfs/dbraw/zinc/12/15/71/348121571.db2.gz XXULVZFRABZPNH-CYBMUJFWSA-N 1 1 260.381 3.366 20 30 CGEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1c1ccc(C)cc1 ZINC000606452005 348185529 /nfs/dbraw/zinc/18/55/29/348185529.db2.gz BGRCOZFSQQDPQF-YJBOKZPZSA-N 1 1 286.419 3.070 20 30 CGEDMO C[C@H]1CCC[C@H](C)[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000610215346 348366664 /nfs/dbraw/zinc/36/66/64/348366664.db2.gz FAPBCRSBGGSHDM-GJZGRUSLSA-N 1 1 272.392 3.448 20 30 CGEDMO Cc1nccc([C@H]2CCC[N@@H+](CCCC(C)(C)C#N)C2)n1 ZINC000610447529 348383433 /nfs/dbraw/zinc/38/34/33/348383433.db2.gz HBVZGRMCIIDARD-HNNXBMFYSA-N 1 1 286.423 3.294 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)o1 ZINC000611265481 348433644 /nfs/dbraw/zinc/43/36/44/348433644.db2.gz VXSSEKNFFGHJRF-MRXNPFEDSA-N 1 1 268.316 3.194 20 30 CGEDMO CC[N@H+](Cc1c(C#N)c(C)nn1-c1ccccc1)C1CCC1 ZINC000611347798 348440199 /nfs/dbraw/zinc/44/01/99/348440199.db2.gz GLTDGFADVQETLS-UHFFFAOYSA-N 1 1 294.402 3.427 20 30 CGEDMO CC[N@@H+](Cc1c(C#N)c(C)nn1-c1ccccc1)C1CCC1 ZINC000611347798 348440201 /nfs/dbraw/zinc/44/02/01/348440201.db2.gz GLTDGFADVQETLS-UHFFFAOYSA-N 1 1 294.402 3.427 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@H]2NCCC[NH+]1CCCC1 ZINC000611390121 348444419 /nfs/dbraw/zinc/44/44/19/348444419.db2.gz CVSCZISJKILOEY-GOSISDBHSA-N 1 1 283.419 3.011 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@H]2NCC[NH+]1CCCCCC1 ZINC000611390716 348444650 /nfs/dbraw/zinc/44/46/50/348444650.db2.gz QGAQZVLCKYSCGJ-LJQANCHMSA-N 1 1 297.446 3.401 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000611462978 348453595 /nfs/dbraw/zinc/45/35/95/348453595.db2.gz WXAREBNBGNDRFU-HUUCEWRRSA-N 1 1 264.413 3.065 20 30 CGEDMO N#CCC[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000611526998 348458650 /nfs/dbraw/zinc/45/86/50/348458650.db2.gz SQZSXYJNKKVELI-UHFFFAOYSA-N 1 1 272.348 3.074 20 30 CGEDMO N#CCC[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000611526998 348458654 /nfs/dbraw/zinc/45/86/54/348458654.db2.gz SQZSXYJNKKVELI-UHFFFAOYSA-N 1 1 272.348 3.074 20 30 CGEDMO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1CCCSCC#N ZINC000611554391 348460748 /nfs/dbraw/zinc/46/07/48/348460748.db2.gz NFBHVCVVUCCZDU-QWRGUYRKSA-N 1 1 280.359 3.296 20 30 CGEDMO CC[C@@H]1CCC[C@H](C[N@H+](CCC#N)CCOC)C1 ZINC000612399117 348516092 /nfs/dbraw/zinc/51/60/92/348516092.db2.gz MDFADPITQVORAO-CABCVRRESA-N 1 1 252.402 3.065 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000612406564 348517584 /nfs/dbraw/zinc/51/75/84/348517584.db2.gz PVLSDZYBWXQWNP-RHSMWYFYSA-N 1 1 270.376 3.178 20 30 CGEDMO C[C@H](C#N)C[NH2+]Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000612586563 348531143 /nfs/dbraw/zinc/53/11/43/348531143.db2.gz OQNLMWJXHIQEQV-GFCCVEGCSA-N 1 1 294.358 3.083 20 30 CGEDMO CC(C)(C)c1ccc(C#N)c(NC[C@H]2CC[N@H+](C3CC3)C2)n1 ZINC000613411840 348598472 /nfs/dbraw/zinc/59/84/72/348598472.db2.gz SUCMYMHGKDZZED-CYBMUJFWSA-N 1 1 298.434 3.147 20 30 CGEDMO CC[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C[C@H]1CCCO1 ZINC000614162881 348653709 /nfs/dbraw/zinc/65/37/09/348653709.db2.gz AGFZRIRBOKODAS-QGZVFWFLSA-N 1 1 286.419 3.489 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccccc1C#N)c1ccc([S@@](C)=O)cc1 ZINC000339501612 215213296 /nfs/dbraw/zinc/21/32/96/215213296.db2.gz JLAFMFLBIRFBIR-LRTDBIEQSA-N 1 1 298.411 3.146 20 30 CGEDMO CO[C@@H](C)C[N@@H+](Cc1ccc(C#N)cc1C)C(C)C ZINC000614400778 348673680 /nfs/dbraw/zinc/67/36/80/348673680.db2.gz DTYHPWJUGKKOSE-AWEZNQCLSA-N 1 1 260.381 3.112 20 30 CGEDMO CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2C)C[C@@H]1C ZINC000614402307 348674213 /nfs/dbraw/zinc/67/42/13/348674213.db2.gz RBOOHSBEHIPKJV-YJBOKZPZSA-N 1 1 285.435 3.171 20 30 CGEDMO CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2C)C[C@@H]1C ZINC000614402307 348674214 /nfs/dbraw/zinc/67/42/14/348674214.db2.gz RBOOHSBEHIPKJV-YJBOKZPZSA-N 1 1 285.435 3.171 20 30 CGEDMO CCN1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2C)C[C@@H]1C ZINC000614402307 348674216 /nfs/dbraw/zinc/67/42/16/348674216.db2.gz RBOOHSBEHIPKJV-YJBOKZPZSA-N 1 1 285.435 3.171 20 30 CGEDMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2C)C[C@@H]1C ZINC000614402307 348674218 /nfs/dbraw/zinc/67/42/18/348674218.db2.gz RBOOHSBEHIPKJV-YJBOKZPZSA-N 1 1 285.435 3.171 20 30 CGEDMO CC(C)(C)C[N@@H+](CCO)CCCCC(C)(C)C#N ZINC000618280664 349065866 /nfs/dbraw/zinc/06/58/66/349065866.db2.gz FVRNUFMZPKJSBA-UHFFFAOYSA-N 1 1 254.418 3.047 20 30 CGEDMO CCc1ccccc1CC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000618305238 349068023 /nfs/dbraw/zinc/06/80/23/349068023.db2.gz MFIPOVOWOZOUGN-KRWDZBQOSA-N 1 1 256.393 3.417 20 30 CGEDMO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ncc(Cl)s1 ZINC000618740987 349151506 /nfs/dbraw/zinc/15/15/06/349151506.db2.gz AZMBNVWTDMNNGN-LBPRGKRZSA-N 1 1 289.791 3.445 20 30 CGEDMO CC(C)(C)OC(=O)c1cccc(C[NH2+]CC2(C#N)CC2)c1 ZINC000619535001 349257905 /nfs/dbraw/zinc/25/79/05/349257905.db2.gz OKECFTFYAQPERA-UHFFFAOYSA-N 1 1 286.375 3.035 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CCC3(C2)CCOCC3)cc1 ZINC000271227577 191015423 /nfs/dbraw/zinc/01/54/23/191015423.db2.gz SAGFPLKMNIYGLF-UHFFFAOYSA-N 1 1 299.414 3.091 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CC2)C1 ZINC000625705664 350200626 /nfs/dbraw/zinc/20/06/26/350200626.db2.gz WZIPDBIHVWPGGO-DNVCBOLYSA-N 1 1 298.430 3.152 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000625704557 350200990 /nfs/dbraw/zinc/20/09/90/350200990.db2.gz ONKHFQBMHSHGDL-LBPRGKRZSA-N 1 1 294.345 3.191 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000625994660 350242826 /nfs/dbraw/zinc/24/28/26/350242826.db2.gz DUUOMCBQBLLUPD-CQSZACIVSA-N 1 1 261.369 3.066 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CCC[C@@H](C/C=C\C)C2)nn1 ZINC000626165003 350277161 /nfs/dbraw/zinc/27/71/61/350277161.db2.gz YHPSVFFMVKYGMZ-UYWPIULCSA-N 1 1 274.412 3.032 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000628405503 350528366 /nfs/dbraw/zinc/52/83/66/350528366.db2.gz NROOJTAISPDFML-CQSZACIVSA-N 1 1 258.365 3.043 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cccc(OCCCOC)c2)C1 ZINC000628405321 350528698 /nfs/dbraw/zinc/52/86/98/350528698.db2.gz JFKLDMDBPDHMRI-MRXNPFEDSA-N 1 1 289.419 3.500 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2c(OC)cc(OC)cc2OC)C1 ZINC000628405646 350529399 /nfs/dbraw/zinc/52/93/99/350529399.db2.gz QJHIQMUJUCVTSN-ZDUSSCGKSA-N 1 1 291.391 3.110 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CCC1 ZINC000628544158 350572848 /nfs/dbraw/zinc/57/28/48/350572848.db2.gz MLOHSJUOCIRPMT-MRXNPFEDSA-N 1 1 290.451 3.256 20 30 CGEDMO C=CC[N@@H+](Cc1cnn(Cc2ccccc2)c1)C1CC1 ZINC000271398092 191114948 /nfs/dbraw/zinc/11/49/48/191114948.db2.gz KZDMZEMQMROHOV-UHFFFAOYSA-N 1 1 267.376 3.082 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C)cc3)C2)C1 ZINC000634458967 351492576 /nfs/dbraw/zinc/49/25/76/351492576.db2.gz IPIDZIFFSMOZOG-QGZVFWFLSA-N 1 1 298.430 3.042 20 30 CGEDMO COc1ccc(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)cc1C#N ZINC000291451194 198025277 /nfs/dbraw/zinc/02/52/77/198025277.db2.gz CKZIYCFSSDJQMW-QGZVFWFLSA-N 1 1 282.387 3.331 20 30 CGEDMO C=CC[C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC000636156463 351726453 /nfs/dbraw/zinc/72/64/53/351726453.db2.gz RWCWXGAJWDUZPK-HUUCEWRRSA-N 1 1 289.423 3.258 20 30 CGEDMO CC[N@@H+](C)Cc1cccc(CNc2ccc(C#N)c(C)n2)c1 ZINC000291713914 198067724 /nfs/dbraw/zinc/06/77/24/198067724.db2.gz VVYPUQFHKMUQNM-UHFFFAOYSA-N 1 1 294.402 3.326 20 30 CGEDMO CCc1nc(C)c(C[NH2+][C@H](C)c2ccc(C#N)cc2)o1 ZINC000291974886 198121604 /nfs/dbraw/zinc/12/16/04/198121604.db2.gz UMNCLCGKDDTUHP-LLVKDONJSA-N 1 1 269.348 3.268 20 30 CGEDMO C=C(Cl)C[NH2+][C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000271504978 191180150 /nfs/dbraw/zinc/18/01/50/191180150.db2.gz NSOMCHCDIKZHEO-CYBMUJFWSA-N 1 1 275.783 3.335 20 30 CGEDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc(C#N)c(C)c2)CC1 ZINC000336457792 213325805 /nfs/dbraw/zinc/32/58/05/213325805.db2.gz MFCJINFZDQZRJZ-KRWDZBQOSA-N 1 1 272.392 3.258 20 30 CGEDMO CCOC[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000154270001 188132341 /nfs/dbraw/zinc/13/23/41/188132341.db2.gz ZHIFGBLFLNPXID-OAHLLOKOSA-N 1 1 277.795 3.050 20 30 CGEDMO COc1cccc(C2([NH2+]Cc3cc(C#N)ccc3F)CC2)c1 ZINC000271676875 191272139 /nfs/dbraw/zinc/27/21/39/191272139.db2.gz FOWPSMQXESIVCH-UHFFFAOYSA-N 1 1 296.345 3.485 20 30 CGEDMO CSC[C@@H]1CCC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000292460428 198296164 /nfs/dbraw/zinc/29/61/64/198296164.db2.gz QJYPWDCZMDWHOS-CQSZACIVSA-N 1 1 290.432 3.012 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000157370809 188312647 /nfs/dbraw/zinc/31/26/47/188312647.db2.gz VIPVUAQKWHSIGX-ZDUSSCGKSA-N 1 1 256.374 3.457 20 30 CGEDMO CC#CC[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000157370809 188312648 /nfs/dbraw/zinc/31/26/48/188312648.db2.gz VIPVUAQKWHSIGX-ZDUSSCGKSA-N 1 1 256.374 3.457 20 30 CGEDMO N#CC1(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CCCC1 ZINC000329944724 283041900 /nfs/dbraw/zinc/04/19/00/283041900.db2.gz IPRAPNGGMAHKFQ-CQSZACIVSA-N 1 1 275.396 3.044 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@@H+]2CCc3cccc(Cl)c3C2)C1 ZINC000335586527 283057952 /nfs/dbraw/zinc/05/79/52/283057952.db2.gz GRQGEXNFROBYKP-DGCLKSJQSA-N 1 1 260.768 3.390 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)c(F)c1 ZINC000335250097 283143792 /nfs/dbraw/zinc/14/37/92/283143792.db2.gz SQHSMCZWZLQPCX-AEFFLSMTSA-N 1 1 296.345 3.005 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)c(F)c1 ZINC000335250097 283143800 /nfs/dbraw/zinc/14/38/00/283143800.db2.gz SQHSMCZWZLQPCX-AEFFLSMTSA-N 1 1 296.345 3.005 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2ccccc2C(F)(F)F)o1 ZINC000135167136 283146433 /nfs/dbraw/zinc/14/64/33/283146433.db2.gz XFOUDFXDVUIYFR-UHFFFAOYSA-N 1 1 280.249 3.460 20 30 CGEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)s2)C1(C)C ZINC000129959025 138398630 /nfs/dbraw/zinc/39/86/30/138398630.db2.gz TXBPGNBFPVOBHU-KBPBESRZSA-N 1 1 278.421 3.255 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@H]2C[C@]2(F)c2ccccc2)s1 ZINC000424205170 236133612 /nfs/dbraw/zinc/13/36/12/236133612.db2.gz WGZUMMDHYDJNNB-GJZGRUSLSA-N 1 1 272.348 3.347 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)ccc1F ZINC000246571170 138535637 /nfs/dbraw/zinc/53/56/37/138535637.db2.gz LCAKPKWGOHANEK-XJKSGUPXSA-N 1 1 258.340 3.462 20 30 CGEDMO CCC[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000341605256 216032428 /nfs/dbraw/zinc/03/24/28/216032428.db2.gz GDJFEBPDVYNJQH-MRXNPFEDSA-N 1 1 299.418 3.399 20 30 CGEDMO C[NH+](C)[C@@H](CNCc1ccc(C#N)cc1F)c1ccccc1 ZINC000298074740 200327452 /nfs/dbraw/zinc/32/74/52/200327452.db2.gz GZBUDSXVXKYGFJ-SFHVURJKSA-N 1 1 297.377 3.090 20 30 CGEDMO CCCC[N@H+]1CCCC[C@@H]1CNc1snc(C)c1C#N ZINC000341843056 216123929 /nfs/dbraw/zinc/12/39/29/216123929.db2.gz LSFGLKKAZIZYFL-CYBMUJFWSA-N 1 1 292.452 3.390 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000178066314 189088417 /nfs/dbraw/zinc/08/84/17/189088417.db2.gz DXBCEDQAUNLGEK-YOEHRIQHSA-N 1 1 272.392 3.268 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@H]2CCCc3occc32)c(F)c1 ZINC000178782076 189145680 /nfs/dbraw/zinc/14/56/80/189145680.db2.gz YGBUVJFTLXZEBF-HNNXBMFYSA-N 1 1 270.307 3.458 20 30 CGEDMO N#Cc1ccc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c(Cl)c1 ZINC000439441134 238256642 /nfs/dbraw/zinc/25/66/42/238256642.db2.gz PEFLSGPREBQTNC-ZDUSSCGKSA-N 1 1 290.794 3.213 20 30 CGEDMO C[NH+](C)C[C@H](NCc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000342223505 216267709 /nfs/dbraw/zinc/26/77/09/216267709.db2.gz HWBVLXKIQCQEEK-SFHVURJKSA-N 1 1 297.377 3.090 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccccc1[N+](=O)[O-] ZINC000342285269 216290831 /nfs/dbraw/zinc/29/08/31/216290831.db2.gz UBJKTKOKVNSRRG-NSHDSACASA-N 1 1 299.305 3.456 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)o1 ZINC000181033677 189286425 /nfs/dbraw/zinc/28/64/25/189286425.db2.gz BXENJWUAPBCTOZ-OAHLLOKOSA-N 1 1 286.306 3.294 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000181481016 189298136 /nfs/dbraw/zinc/29/81/36/189298136.db2.gz VSDVEPABKJFIOH-COXVUDFISA-N 1 1 272.392 3.102 20 30 CGEDMO CN(CC[C@H]1CCCC[N@H+]1C)c1c(F)cc(C#N)cc1F ZINC000301448815 201013731 /nfs/dbraw/zinc/01/37/31/201013731.db2.gz KTJLEYVMAGELSW-CYBMUJFWSA-N 1 1 293.361 3.147 20 30 CGEDMO C[C@H](c1ccccn1)[N@H+](C)Cc1ccc(C#N)s1 ZINC000182064734 189313645 /nfs/dbraw/zinc/31/36/45/189313645.db2.gz VPRUXXTUWGOORG-LLVKDONJSA-N 1 1 257.362 3.208 20 30 CGEDMO C[C@H](c1ccccn1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000182064734 189313646 /nfs/dbraw/zinc/31/36/46/189313646.db2.gz VPRUXXTUWGOORG-LLVKDONJSA-N 1 1 257.362 3.208 20 30 CGEDMO Cc1ccc(CNc2ccc(C#N)cc2)c(N2CCCC2)[nH+]1 ZINC000302064299 201327036 /nfs/dbraw/zinc/32/70/36/201327036.db2.gz VHRNGOUZDKJGJX-UHFFFAOYSA-N 1 1 292.386 3.474 20 30 CGEDMO N#Cc1csc(C[NH2+][C@@H]2COc3ccc(Cl)cc32)c1 ZINC000335669114 212387957 /nfs/dbraw/zinc/38/79/57/212387957.db2.gz JOWDMJYUZVCKLY-CYBMUJFWSA-N 1 1 290.775 3.496 20 30 CGEDMO CCO[C@@H]1CC[N@H+]([C@H](C)c2cccc(C#N)c2)C[C@H]1C ZINC000451551493 240324242 /nfs/dbraw/zinc/32/42/42/240324242.db2.gz XYQWVKBYMIYFPS-CKEIUWERSA-N 1 1 272.392 3.366 20 30 CGEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1(C)C ZINC000120626155 370787429 /nfs/dbraw/zinc/78/74/29/370787429.db2.gz FHKLLGNBKKNRLR-CVEARBPZSA-N 1 1 272.392 3.194 20 30 CGEDMO C[C@@H](C[N@@H+](C)Cc1ccc(C#N)s1)C(=O)OC(C)(C)C ZINC000459752291 242210690 /nfs/dbraw/zinc/21/06/90/242210690.db2.gz BJHCQWGNCFBNID-NSHDSACASA-N 1 1 294.420 3.029 20 30 CGEDMO C[C@@H]1[C@H](Nc2ccc(C(F)(F)F)c(C#N)c2)CCC[N@H+]1C ZINC000463497209 242398797 /nfs/dbraw/zinc/39/87/97/242398797.db2.gz TWLPLFOIMCTXAP-QMTHXVAHSA-N 1 1 297.324 3.472 20 30 CGEDMO C=CC[N@@H+](C)CC(=O)Nc1ccc(SC(F)F)cc1 ZINC000121581250 370875965 /nfs/dbraw/zinc/87/59/65/370875965.db2.gz PCKVSHAHMLAQIW-UHFFFAOYSA-N 1 1 286.347 3.058 20 30 CGEDMO C=CC[N@H+](C)CC(=O)Nc1ccc(SC(F)F)cc1 ZINC000121581250 370875974 /nfs/dbraw/zinc/87/59/74/370875974.db2.gz PCKVSHAHMLAQIW-UHFFFAOYSA-N 1 1 286.347 3.058 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCO1 ZINC000014855911 368685403 /nfs/dbraw/zinc/68/54/03/368685403.db2.gz MMKCUVFOXKUOKT-HNNXBMFYSA-N 1 1 292.382 3.446 20 30 CGEDMO CCCCCCCC[N@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000124944955 370928584 /nfs/dbraw/zinc/92/85/84/370928584.db2.gz HGPAUNUQTWIDAB-HZPDHXFCSA-N 1 1 280.456 3.338 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCc2sccc2[C@H]1CC ZINC000122829471 370907614 /nfs/dbraw/zinc/90/76/14/370907614.db2.gz FQNLTCNOXGNFDZ-TZMCWYRMSA-N 1 1 265.422 3.384 20 30 CGEDMO N#Cc1ccc(C[N@H+](CCO)[C@H]2CCc3ccccc32)s1 ZINC000126163048 370944240 /nfs/dbraw/zinc/94/42/40/370944240.db2.gz TZRADPMSCQKNPW-KRWDZBQOSA-N 1 1 298.411 3.102 20 30 CGEDMO CC(C)(C)[C@@H]1CCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000330620654 203048504 /nfs/dbraw/zinc/04/85/04/203048504.db2.gz KQQCZSOKNOJSFG-HNNXBMFYSA-N 1 1 285.391 3.007 20 30 CGEDMO CCCC[N@@H+](CC)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000019846838 368773201 /nfs/dbraw/zinc/77/32/01/368773201.db2.gz LAIWSAMPWGOEEL-ZDUSSCGKSA-N 1 1 273.380 3.007 20 30 CGEDMO C[C@H](NCC1([NH+](C)C)CCCCC1)c1ccc(C#N)cc1 ZINC000020094561 368802044 /nfs/dbraw/zinc/80/20/44/368802044.db2.gz CDWFBSLHKRLLRF-HNNXBMFYSA-N 1 1 285.435 3.473 20 30 CGEDMO C[C@@H](NC[C@H](C)C[NH+]1CCCCC1)c1ccc(C#N)cc1 ZINC000038041726 296130966 /nfs/dbraw/zinc/13/09/66/296130966.db2.gz GCBCZNYVSYKEIN-JKSUJKDBSA-N 1 1 285.435 3.331 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(Br)cc1 ZINC000042255659 369208969 /nfs/dbraw/zinc/20/89/69/369208969.db2.gz MVDXMCPRERITBZ-GFCCVEGCSA-N 1 1 267.170 3.231 20 30 CGEDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000042607506 369227071 /nfs/dbraw/zinc/22/70/71/369227071.db2.gz PLUFCOJNHZSCSA-COXVUDFISA-N 1 1 272.392 3.102 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000276074389 193206077 /nfs/dbraw/zinc/20/60/77/193206077.db2.gz AHHDXOVMAJATBM-NSHDSACASA-N 1 1 298.333 3.123 20 30 CGEDMO C[C@H](C1CC1)[N@@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC000046059933 369290178 /nfs/dbraw/zinc/29/01/78/369290178.db2.gz HMHVJTIEXJLFRC-LLVKDONJSA-N 1 1 258.340 3.460 20 30 CGEDMO C[N@@H+](CCOc1ccccc1C#N)C(C1CC1)C1CC1 ZINC000050965619 369444134 /nfs/dbraw/zinc/44/41/34/369444134.db2.gz BOWCOVYJZLKWFC-UHFFFAOYSA-N 1 1 270.376 3.057 20 30 CGEDMO C#CC[N@H+](Cc1cncs1)[C@@H]1CCc2ccccc21 ZINC000127540918 370953311 /nfs/dbraw/zinc/95/33/11/370953311.db2.gz SLNNDSRLROYZER-MRXNPFEDSA-N 1 1 268.385 3.266 20 30 CGEDMO C#CC[N@@H+](Cc1cncs1)[C@@H]1CCc2ccccc21 ZINC000127540918 370953317 /nfs/dbraw/zinc/95/33/17/370953317.db2.gz SLNNDSRLROYZER-MRXNPFEDSA-N 1 1 268.385 3.266 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000127812499 370956150 /nfs/dbraw/zinc/95/61/50/370956150.db2.gz LAQFKNZISRFKKK-GFCCVEGCSA-N 1 1 271.763 3.238 20 30 CGEDMO C[N@H+]1CCC[C@@H]2CN(c3cc(Cl)ccc3C#N)CC[C@@H]21 ZINC000129095098 370974638 /nfs/dbraw/zinc/97/46/38/370974638.db2.gz DEJRJRKLKQFHSJ-HIFRSBDPSA-N 1 1 289.810 3.132 20 30 CGEDMO C[N@@H+](CCNc1ccc(C(F)(F)F)cc1C#N)C1CC1 ZINC000062010375 369614121 /nfs/dbraw/zinc/61/41/21/369614121.db2.gz VZLWVOXKQHRFFK-UHFFFAOYSA-N 1 1 283.297 3.083 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000063494600 369645905 /nfs/dbraw/zinc/64/59/05/369645905.db2.gz LIGSFGDIVVHCLX-INIZCTEOSA-N 1 1 287.407 3.239 20 30 CGEDMO COc1ccc2c(c1)C[N@@H+](Cc1cccc(C#N)c1)CC2 ZINC000065162943 369665647 /nfs/dbraw/zinc/66/56/47/369665647.db2.gz MEERATHTWARMQU-UHFFFAOYSA-N 1 1 278.355 3.125 20 30 CGEDMO COc1ccc2c(c1)C[N@H+](Cc1cccc(C#N)c1)CC2 ZINC000065162943 369665650 /nfs/dbraw/zinc/66/56/50/369665650.db2.gz MEERATHTWARMQU-UHFFFAOYSA-N 1 1 278.355 3.125 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)Cc1cc(C)on1 ZINC000065959710 369687112 /nfs/dbraw/zinc/68/71/12/369687112.db2.gz ZZKQYLNNPNYQKX-UHFFFAOYSA-N 1 1 256.349 3.214 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1cc(C)on1 ZINC000065959710 369687115 /nfs/dbraw/zinc/68/71/15/369687115.db2.gz ZZKQYLNNPNYQKX-UHFFFAOYSA-N 1 1 256.349 3.214 20 30 CGEDMO C[C@@H](c1ccco1)[N@@H+](C)CCOc1ccccc1C#N ZINC000069065306 369753942 /nfs/dbraw/zinc/75/39/42/369753942.db2.gz WWTHQBKQIBGISU-ZDUSSCGKSA-N 1 1 270.332 3.223 20 30 CGEDMO CCC[N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000069092130 369754022 /nfs/dbraw/zinc/75/40/22/369754022.db2.gz GYTOYMBBTDEZSG-UHFFFAOYSA-N 1 1 283.375 3.079 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000072553310 369824591 /nfs/dbraw/zinc/82/45/91/369824591.db2.gz ZYUMBYKDEOEDRM-UHFFFAOYSA-N 1 1 291.782 3.048 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000072553310 369824595 /nfs/dbraw/zinc/82/45/95/369824595.db2.gz ZYUMBYKDEOEDRM-UHFFFAOYSA-N 1 1 291.782 3.048 20 30 CGEDMO CC1(C)CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000070258993 369793214 /nfs/dbraw/zinc/79/32/14/369793214.db2.gz HKJIKIZNSGDVRB-UHFFFAOYSA-N 1 1 285.391 3.009 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH+]1CCC(c2ccccc2)CC1 ZINC000073895130 369868591 /nfs/dbraw/zinc/86/85/91/369868591.db2.gz AONDVCWUTIJHRF-HNNXBMFYSA-N 1 1 267.376 3.310 20 30 CGEDMO Cc1nc(C)c([C@H](C)[N@H+](C)Cc2ccc(C#N)o2)s1 ZINC000093275123 370113605 /nfs/dbraw/zinc/11/36/05/370113605.db2.gz UGPDAIBKSKMJIO-JTQLQIEISA-N 1 1 275.377 3.418 20 30 CGEDMO Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2ccc(C#N)o2)s1 ZINC000093275123 370113609 /nfs/dbraw/zinc/11/36/09/370113609.db2.gz UGPDAIBKSKMJIO-JTQLQIEISA-N 1 1 275.377 3.418 20 30 CGEDMO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cnccn1 ZINC000090665530 370063780 /nfs/dbraw/zinc/06/37/80/370063780.db2.gz CEMOPLNTOSOIBE-UKRRQHHQSA-N 1 1 266.348 3.172 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@]3(CC=CCC3)C2)o1 ZINC000093439465 370129303 /nfs/dbraw/zinc/12/93/03/370129303.db2.gz RUXARKLPPFSYMM-MRXNPFEDSA-N 1 1 256.349 3.474 20 30 CGEDMO C=CCc1cc(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)cc(OC)c1O ZINC000093661045 370153334 /nfs/dbraw/zinc/15/33/34/370153334.db2.gz FPMXBTRKJSABCL-GASCZTMLSA-N 1 1 287.403 3.217 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2C2CCC2)c(F)c1 ZINC000102925894 370314071 /nfs/dbraw/zinc/31/40/71/370314071.db2.gz IYRKUGZKAZKJOB-MRXNPFEDSA-N 1 1 258.340 3.462 20 30 CGEDMO Cc1csc(C(C)(C)[NH2+]Cc2ccc(C#N)cc2)n1 ZINC000116381657 370558332 /nfs/dbraw/zinc/55/83/32/370558332.db2.gz MULMOHKZNWQDMZ-UHFFFAOYSA-N 1 1 271.389 3.348 20 30 CGEDMO CN(C)CC[C@H]([NH2+]Cc1ccc(C#N)cc1)C(C)(C)C ZINC000116378691 370558667 /nfs/dbraw/zinc/55/86/67/370558667.db2.gz MCWJTYWLKWKPOL-INIZCTEOSA-N 1 1 273.424 3.014 20 30 CGEDMO C[NH+](C)CC[C@H](NCc1ccc(C#N)cc1)C(C)(C)C ZINC000116378691 370558669 /nfs/dbraw/zinc/55/86/69/370558669.db2.gz MCWJTYWLKWKPOL-INIZCTEOSA-N 1 1 273.424 3.014 20 30 CGEDMO CC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000117343095 370587539 /nfs/dbraw/zinc/58/75/39/370587539.db2.gz CBMAQRBATNDTPH-HNNXBMFYSA-N 1 1 299.418 3.399 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)CC(C)(C)CCC#N ZINC000130792475 371060950 /nfs/dbraw/zinc/06/09/50/371060950.db2.gz BZXFWTGVVFKLRA-UHFFFAOYSA-N 1 1 255.365 3.320 20 30 CGEDMO CCCC(N)=[NH+]OCc1ncc(-c2ccc(C)cc2)o1 ZINC000131495324 371110251 /nfs/dbraw/zinc/11/02/51/371110251.db2.gz IVPQBNPXXKSCJI-UHFFFAOYSA-N 1 1 273.336 3.239 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1C[C@H](c2ccccc2C)OC[C@H]1C ZINC000131635589 371120617 /nfs/dbraw/zinc/12/06/17/371120617.db2.gz DELFLVVXPQNILB-JFIYKMOQSA-N 1 1 289.419 3.084 20 30 CGEDMO CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccccc1C#N ZINC000134485463 371340989 /nfs/dbraw/zinc/34/09/89/371340989.db2.gz SASKCXWFZYNHJG-IBGZPJMESA-N 1 1 294.398 3.331 20 30 CGEDMO CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccccc1C#N ZINC000134485463 371340992 /nfs/dbraw/zinc/34/09/92/371340992.db2.gz SASKCXWFZYNHJG-IBGZPJMESA-N 1 1 294.398 3.331 20 30 CGEDMO C[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2C(C)(C)C#N)CCN1C ZINC000135249119 371406281 /nfs/dbraw/zinc/40/62/81/371406281.db2.gz ZJPRFRFFZUMGRA-RDJZCZTQSA-N 1 1 299.462 3.402 20 30 CGEDMO C[C@H]1C[C@@H](N(C)Cc2ccccc2C(C)(C)C#N)CC[N@@H+]1C ZINC000135249119 371406319 /nfs/dbraw/zinc/40/63/19/371406319.db2.gz ZJPRFRFFZUMGRA-RDJZCZTQSA-N 1 1 299.462 3.402 20 30 CGEDMO C[C@H]1C[C@@H](N(C)Cc2ccccc2C(C)(C)C#N)CC[N@H+]1C ZINC000135249119 371406321 /nfs/dbraw/zinc/40/63/21/371406321.db2.gz ZJPRFRFFZUMGRA-RDJZCZTQSA-N 1 1 299.462 3.402 20 30 CGEDMO CC[C@H]([NH2+]Cc1ccc(C#N)s1)c1nccs1 ZINC000135692962 371445913 /nfs/dbraw/zinc/44/59/13/371445913.db2.gz PFLDYEVAIMBEAN-NSHDSACASA-N 1 1 263.391 3.317 20 30 CGEDMO C=CC[NH+](CC=C)[C@@H](CN[C@@H](C)c1cncs1)C(C)C ZINC000152068023 371670068 /nfs/dbraw/zinc/67/00/68/371670068.db2.gz FPEWYWSYBGCTOW-GJZGRUSLSA-N 1 1 293.480 3.492 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1 ZINC000151872523 371646067 /nfs/dbraw/zinc/64/60/67/371646067.db2.gz BIVNIRQEPXQAHO-IAGOWNOFSA-N 1 1 296.370 3.239 20 30 CGEDMO CC[N@@H+](CC(C)C)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000153739960 371785178 /nfs/dbraw/zinc/78/51/78/371785178.db2.gz YHMOXLGJMCKNMN-GFCCVEGCSA-N 1 1 291.395 3.073 20 30 CGEDMO C=C[C@H](CO)[NH2+][C@@H](C)c1cc(Cl)sc1Cl ZINC000289712851 371800317 /nfs/dbraw/zinc/80/03/17/371800317.db2.gz JFKBPOAOKOMXNI-NKWVEPMBSA-N 1 1 266.193 3.252 20 30 CGEDMO C[C@H](NCC[NH+]1[C@@H](C)CCC[C@@H]1C)c1cccc(C#N)c1 ZINC000344074247 217039348 /nfs/dbraw/zinc/03/93/48/217039348.db2.gz MNEJNXGGJFKOHX-JYJNAYRXSA-N 1 1 285.435 3.472 20 30 CGEDMO CC(C)CC[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344102618 217051067 /nfs/dbraw/zinc/05/10/67/217051067.db2.gz GJXDLHINMXPKBS-UHFFFAOYSA-N 1 1 260.381 3.053 20 30 CGEDMO CC/C=C/CC[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344115481 217056173 /nfs/dbraw/zinc/05/61/73/217056173.db2.gz NWUPFKWGWSFADN-SNAWJCMRSA-N 1 1 272.392 3.363 20 30 CGEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)o2)cc1 ZINC000155158005 371910440 /nfs/dbraw/zinc/91/04/40/371910440.db2.gz FREIPEFTMLIXNH-QGZVFWFLSA-N 1 1 282.343 3.497 20 30 CGEDMO CSC1(C[N@@H+](C)Cc2cccc(C#N)c2)CCC1 ZINC000290579999 372020821 /nfs/dbraw/zinc/02/08/21/372020821.db2.gz ZJKQCUSSDGNDOT-UHFFFAOYSA-N 1 1 260.406 3.276 20 30 CGEDMO CC#CC[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000157896280 372041237 /nfs/dbraw/zinc/04/12/37/372041237.db2.gz TYCQMUTXISEOQE-UHFFFAOYSA-N 1 1 268.360 3.229 20 30 CGEDMO O[C@@H]1CCCC[C@H]1[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1 ZINC000291080064 372112759 /nfs/dbraw/zinc/11/27/59/372112759.db2.gz GLYNGVYMVNQCMD-SLFFLAALSA-N 1 1 297.442 3.444 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000424731218 372096246 /nfs/dbraw/zinc/09/62/46/372096246.db2.gz FSNRPMQEQLTOTB-HNNXBMFYSA-N 1 1 280.456 3.073 20 30 CGEDMO N#CCCCC[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425552571 372132850 /nfs/dbraw/zinc/13/28/50/372132850.db2.gz QPFCZMZGOINXEY-HUUCEWRRSA-N 1 1 278.783 3.142 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425545950 372131787 /nfs/dbraw/zinc/13/17/87/372131787.db2.gz DNFVAQWEBCWEAK-LJQANCHMSA-N 1 1 295.426 3.319 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000428981056 372297424 /nfs/dbraw/zinc/29/74/24/372297424.db2.gz XWDSDGSGNORHSQ-ZDUSSCGKSA-N 1 1 258.340 3.319 20 30 CGEDMO COCC[N@H+](Cc1ccc(C#N)s1)Cc1ccccc1 ZINC000160449301 372247889 /nfs/dbraw/zinc/24/78/89/372247889.db2.gz DMXSGGKYKTUDJD-UHFFFAOYSA-N 1 1 286.400 3.268 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C#N)s1)Cc1ccccc1 ZINC000160449301 372247896 /nfs/dbraw/zinc/24/78/96/372247896.db2.gz DMXSGGKYKTUDJD-UHFFFAOYSA-N 1 1 286.400 3.268 20 30 CGEDMO C=CCOCC[N@@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000292940589 372253989 /nfs/dbraw/zinc/25/39/89/372253989.db2.gz ZYNHYUIWPGUXQN-LBPRGKRZSA-N 1 1 276.405 3.492 20 30 CGEDMO C=CCOCC[N@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000292940589 372253998 /nfs/dbraw/zinc/25/39/98/372253998.db2.gz ZYNHYUIWPGUXQN-LBPRGKRZSA-N 1 1 276.405 3.492 20 30 CGEDMO C[C@@]12CC[N@@H+](CCCC3(C#N)CCOCC3)C[C@@H]1C2(F)F ZINC000428738069 372258290 /nfs/dbraw/zinc/25/82/90/372258290.db2.gz MXSGBPILLGJBRT-UONOGXRCSA-N 1 1 298.377 3.064 20 30 CGEDMO Cc1cc(C[N@H+]2CCCc3occc3C2)ccc1C#N ZINC000344283340 217132302 /nfs/dbraw/zinc/13/23/02/217132302.db2.gz QFMNZGVQTAHUIU-UHFFFAOYSA-N 1 1 266.344 3.408 20 30 CGEDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(CCCCC(C)(C)C#N)C[C@@H](C)C1 ZINC000429004311 372301980 /nfs/dbraw/zinc/30/19/80/372301980.db2.gz FFICYXZPQKIIBN-ZACQAIPSSA-N 1 1 291.483 3.369 20 30 CGEDMO C[C@@H]1C[C@@H]1N1CC[N@H+](CCCCC(C)(C)C#N)C[C@@H](C)C1 ZINC000429004311 372301983 /nfs/dbraw/zinc/30/19/83/372301983.db2.gz FFICYXZPQKIIBN-ZACQAIPSSA-N 1 1 291.483 3.369 20 30 CGEDMO C[C@@H]1C[C@@H]1N1CC[N@@H+](CCCCC(C)(C)C#N)C[C@@H](C)C1 ZINC000429004311 372301986 /nfs/dbraw/zinc/30/19/86/372301986.db2.gz FFICYXZPQKIIBN-ZACQAIPSSA-N 1 1 291.483 3.369 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCOC[C@H](C3CCC3)C2)cc1 ZINC000429008351 372304134 /nfs/dbraw/zinc/30/41/34/372304134.db2.gz NJVIVALAISEHFC-GOSISDBHSA-N 1 1 284.403 3.001 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000429715217 372377778 /nfs/dbraw/zinc/37/77/78/372377778.db2.gz HUMZJVVBDHUGTF-AWEZNQCLSA-N 1 1 293.455 3.473 20 30 CGEDMO C=CCC(C)(C)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000429802722 372379417 /nfs/dbraw/zinc/37/94/17/372379417.db2.gz AWYUYAUHMNVFQJ-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000430112893 372384245 /nfs/dbraw/zinc/38/42/45/372384245.db2.gz ZZBLRKNUAMQCIU-YPMHNXCESA-N 1 1 256.340 3.293 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@H]1c1ccc(OC)cc1OC ZINC000293533019 372404702 /nfs/dbraw/zinc/40/47/02/372404702.db2.gz PPRDRXQSXAGGGF-INIZCTEOSA-N 1 1 291.391 3.043 20 30 CGEDMO C=C(Cl)C[NH2+][C@H](C)c1ccc(OC)cc1OC ZINC000163364550 372463528 /nfs/dbraw/zinc/46/35/28/372463528.db2.gz UFULCISLJYXUIQ-SNVBAGLBSA-N 1 1 255.745 3.107 20 30 CGEDMO C=CCC(C)(C)C(=O)Nc1nc2c(s1)C[N@H+](CC)CC2 ZINC000431666539 372494541 /nfs/dbraw/zinc/49/45/41/372494541.db2.gz KQWKMXPQWBPIBX-UHFFFAOYSA-N 1 1 293.436 3.062 20 30 CGEDMO C=CCC(C)(C)C(=O)Nc1nc2c(s1)C[N@@H+](CC)CC2 ZINC000431666539 372494548 /nfs/dbraw/zinc/49/45/48/372494548.db2.gz KQWKMXPQWBPIBX-UHFFFAOYSA-N 1 1 293.436 3.062 20 30 CGEDMO C=CCCC[C@@H](C)NC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000433925812 372640718 /nfs/dbraw/zinc/64/07/18/372640718.db2.gz IHQSYVGGZRAFIL-ZBFHGGJFSA-N 1 1 293.455 3.047 20 30 CGEDMO CCCO[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)CC1 ZINC000170989282 372697030 /nfs/dbraw/zinc/69/70/30/372697030.db2.gz IGHBXAKKVKPQOJ-QGZVFWFLSA-N 1 1 272.392 3.339 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000295138740 372694615 /nfs/dbraw/zinc/69/46/15/372694615.db2.gz IVWCZUWBQUFDEN-OAHLLOKOSA-N 1 1 288.435 3.225 20 30 CGEDMO C=CCOc1ccc(C[N@H+](CC)CCC)cc1OC ZINC000434979553 372719741 /nfs/dbraw/zinc/71/97/41/372719741.db2.gz UUHWCNWONHVZEF-UHFFFAOYSA-N 1 1 263.381 3.492 20 30 CGEDMO N#CCC[N@@H+](Cc1cc2c(cccc2F)[nH]1)CC1CC1 ZINC000438122588 372894392 /nfs/dbraw/zinc/89/43/92/372894392.db2.gz BFOZLQPAHRHBKL-UHFFFAOYSA-N 1 1 271.339 3.433 20 30 CGEDMO N#CCC[N@H+](Cc1cc2c(cccc2F)[nH]1)CC1CC1 ZINC000438122588 372894397 /nfs/dbraw/zinc/89/43/97/372894397.db2.gz BFOZLQPAHRHBKL-UHFFFAOYSA-N 1 1 271.339 3.433 20 30 CGEDMO COc1cc(C#N)ccc1Cn1c[nH+]c2c1C[C@H](C)[C@H](C)C2 ZINC000295945166 372968476 /nfs/dbraw/zinc/96/84/76/372968476.db2.gz LIWZQKYSPALMQZ-OLZOCXBDSA-N 1 1 295.386 3.182 20 30 CGEDMO C=CC[N@@H+]1[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@H]2CCCC[C@H]21 ZINC000439939944 372982603 /nfs/dbraw/zinc/98/26/03/372982603.db2.gz HBSSFXOGBDZPCR-OVYGPGRDSA-N 1 1 292.467 3.356 20 30 CGEDMO C[C@@H]1Cc2[nH+]cn(Cc3cc(F)ccc3C#N)c2C[C@H]1C ZINC000296121049 373026608 /nfs/dbraw/zinc/02/66/08/373026608.db2.gz YLLVRSILMQNLMP-VXGBXAGGSA-N 1 1 283.350 3.313 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000296080255 373017466 /nfs/dbraw/zinc/01/74/66/373017466.db2.gz PFXKSPSWXIZGMY-CZUORRHYSA-N 1 1 272.392 3.102 20 30 CGEDMO C[C@@H]1[C@@H](C)CCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000172855396 373048398 /nfs/dbraw/zinc/04/83/98/373048398.db2.gz PSPXCPOSAJJEEO-NWDGAFQWSA-N 1 1 291.420 3.069 20 30 CGEDMO COc1cc(C[N@@H+]2CCC[C@H]2c2cc(C)no2)ccc1C#N ZINC000442817365 373097025 /nfs/dbraw/zinc/09/70/25/373097025.db2.gz YFUKFRIKASVIMS-HNNXBMFYSA-N 1 1 297.358 3.200 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@H]2c2cc(C)no2)ccc1C#N ZINC000442817365 373097034 /nfs/dbraw/zinc/09/70/34/373097034.db2.gz YFUKFRIKASVIMS-HNNXBMFYSA-N 1 1 297.358 3.200 20 30 CGEDMO COc1cc(C[N@@H+]2CCC[C@@H]2c2cc(C)no2)ccc1C#N ZINC000442817368 373097636 /nfs/dbraw/zinc/09/76/36/373097636.db2.gz YFUKFRIKASVIMS-OAHLLOKOSA-N 1 1 297.358 3.200 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@@H]2c2cc(C)no2)ccc1C#N ZINC000442817368 373097643 /nfs/dbraw/zinc/09/76/43/373097643.db2.gz YFUKFRIKASVIMS-OAHLLOKOSA-N 1 1 297.358 3.200 20 30 CGEDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC000443327761 373150298 /nfs/dbraw/zinc/15/02/98/373150298.db2.gz CWLHAEPZFNUPFG-CPUCHLNUSA-N 1 1 291.822 3.173 20 30 CGEDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CC#Cc1ccccc1Cl ZINC000443327761 373150309 /nfs/dbraw/zinc/15/03/09/373150309.db2.gz CWLHAEPZFNUPFG-CPUCHLNUSA-N 1 1 291.822 3.173 20 30 CGEDMO COc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)ccc1C#N ZINC000443072878 373148600 /nfs/dbraw/zinc/14/86/00/373148600.db2.gz RZYIZMJOSVWPCG-GXFFZTMASA-N 1 1 298.308 3.340 20 30 CGEDMO C=C(Cl)C[NH2+][C@H]1CCCc2nc(Cl)ccc21 ZINC000296660845 373214114 /nfs/dbraw/zinc/21/41/14/373214114.db2.gz FFXAPVKNOWTKQK-JTQLQIEISA-N 1 1 257.164 3.455 20 30 CGEDMO CCc1ccccc1CC[N@H+](C[C@H](C)C#N)C1CC1 ZINC000444661706 373224140 /nfs/dbraw/zinc/22/41/40/373224140.db2.gz HYESSPDJJKMAIN-CQSZACIVSA-N 1 1 256.393 3.416 20 30 CGEDMO CCc1ccccc1CC[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000444661706 373224146 /nfs/dbraw/zinc/22/41/46/373224146.db2.gz HYESSPDJJKMAIN-CQSZACIVSA-N 1 1 256.393 3.416 20 30 CGEDMO CC(C)[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000444746923 373258300 /nfs/dbraw/zinc/25/83/00/373258300.db2.gz GJUWBLWBAHDHJU-INIZCTEOSA-N 1 1 299.418 3.255 20 30 CGEDMO CC[C@@H]([NH2+]Cc1ccc(C#N)o1)c1cccc([N+](=O)[O-])c1 ZINC000175051679 373398620 /nfs/dbraw/zinc/39/86/20/373398620.db2.gz XIINSCLXSFQWQV-OAHLLOKOSA-N 1 1 285.303 3.300 20 30 CGEDMO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1C[C@H](C#N)CCC#N ZINC000175605280 373491253 /nfs/dbraw/zinc/49/12/53/373491253.db2.gz ZBPOWXRRBRKEAI-YQQAZPJKSA-N 1 1 267.376 3.308 20 30 CGEDMO COCC[N@@H+](CCCCC(C)(C)C#N)Cc1cncs1 ZINC000447829725 373500870 /nfs/dbraw/zinc/50/08/70/373500870.db2.gz ISTQPKOSMBIHQM-UHFFFAOYSA-N 1 1 295.452 3.312 20 30 CGEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000299616911 373583724 /nfs/dbraw/zinc/58/37/24/373583724.db2.gz ITYTYSMOKFHQRG-CYBMUJFWSA-N 1 1 290.432 3.245 20 30 CGEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000299616911 373583733 /nfs/dbraw/zinc/58/37/33/373583733.db2.gz ITYTYSMOKFHQRG-CYBMUJFWSA-N 1 1 290.432 3.245 20 30 CGEDMO Cc1cnc(C(C)(C)[NH2+]Cc2cccc(C#N)c2)s1 ZINC000175982541 373545549 /nfs/dbraw/zinc/54/55/49/373545549.db2.gz WCRPDQBFXQEPAY-UHFFFAOYSA-N 1 1 271.389 3.348 20 30 CGEDMO Cc1ccc(C(C)(C)[NH2+]Cc2ccc(F)cc2C#N)cn1 ZINC000353643130 220216224 /nfs/dbraw/zinc/21/62/24/220216224.db2.gz VRHWGDSERZQLTH-UHFFFAOYSA-N 1 1 283.350 3.426 20 30 CGEDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccccc1C#N ZINC000176852242 373636980 /nfs/dbraw/zinc/63/69/80/373636980.db2.gz LMXJIGJOYBKTFY-CQSZACIVSA-N 1 1 280.371 3.327 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000448774706 373640056 /nfs/dbraw/zinc/64/00/56/373640056.db2.gz MGBPMUCPALFZFW-GOEBONIOSA-N 1 1 286.419 3.150 20 30 CGEDMO C=CCC1(C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)CCCCC1 ZINC000448963849 373651783 /nfs/dbraw/zinc/65/17/83/373651783.db2.gz TVIDSSLRNRLBHD-MRXNPFEDSA-N 1 1 290.451 3.208 20 30 CGEDMO CO[C@H]1C[N@@H+](CCCCC(C)(C)C#N)CC[C@H]1C ZINC000300119859 373620082 /nfs/dbraw/zinc/62/00/82/373620082.db2.gz IOIRMBLRXOVXNR-KGLIPLIRSA-N 1 1 252.402 3.063 20 30 CGEDMO N#CCC[C@H]([NH2+]Cc1ccncc1F)c1ccccc1 ZINC000449201745 373669806 /nfs/dbraw/zinc/66/98/06/373669806.db2.gz IZZSLOUGQJVALH-INIZCTEOSA-N 1 1 269.323 3.355 20 30 CGEDMO C[C@@H]1C[C@H](N(C)CC#Cc2ccc(Cl)cc2)CC[N@H+]1C ZINC000177292363 373673254 /nfs/dbraw/zinc/67/32/54/373673254.db2.gz AOQGPYSYAQZNTA-RHSMWYFYSA-N 1 1 290.838 3.106 20 30 CGEDMO C[C@@]12C[N@@H+](Cc3ccc(C#N)cc3F)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000449449759 373731318 /nfs/dbraw/zinc/73/13/18/373731318.db2.gz MVPPSWFOKDYQBI-VUNQQRPYSA-N 1 1 282.362 3.341 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1 ZINC000449524057 373821585 /nfs/dbraw/zinc/82/15/85/373821585.db2.gz ZOWCGBPZGRCVOC-MSOLQXFVSA-N 1 1 296.414 3.339 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@@H](OCC)[C@H](C)C2)c1 ZINC000449490732 373781096 /nfs/dbraw/zinc/78/10/96/373781096.db2.gz CQKLMKQLVZVBPW-CRAIPNDOSA-N 1 1 289.419 3.498 20 30 CGEDMO C[N@H+]1CCC[C@@H]2CN(c3c(Cl)cccc3C#N)CC[C@H]21 ZINC000301657023 373795797 /nfs/dbraw/zinc/79/57/97/373795797.db2.gz BFBRFNSEBRCQRV-UKRRQHHQSA-N 1 1 289.810 3.132 20 30 CGEDMO C=CCC[C@H]([NH2+][C@H](CC)C1CCC1)C(=O)OCC ZINC000449656502 373838213 /nfs/dbraw/zinc/83/82/13/373838213.db2.gz LFIXUMNFPALORG-KGLIPLIRSA-N 1 1 253.386 3.053 20 30 CGEDMO C[N@@H+](C[C@H]1COc2ccccc2O1)CC(C)(C)CCC#N ZINC000179636123 373895004 /nfs/dbraw/zinc/89/50/04/373895004.db2.gz UMWUSYDBYMJFFF-AWEZNQCLSA-N 1 1 288.391 3.088 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cnn(Cc2ccccc2)c1 ZINC000179409650 373869383 /nfs/dbraw/zinc/86/93/83/373869383.db2.gz PPHPYEORHQWSRU-UHFFFAOYSA-N 1 1 269.392 3.329 20 30 CGEDMO Cc1ncsc1C[N@H+](C)Cc1cc(C#N)cs1 ZINC000179429531 373872117 /nfs/dbraw/zinc/87/21/17/373872117.db2.gz LSRFKOMEBJXTLI-UHFFFAOYSA-N 1 1 263.391 3.017 20 30 CGEDMO Cc1ncsc1C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000179429531 373872124 /nfs/dbraw/zinc/87/21/24/373872124.db2.gz LSRFKOMEBJXTLI-UHFFFAOYSA-N 1 1 263.391 3.017 20 30 CGEDMO C[N@@H+](CC1(C#N)CCC1)[C@H]1CCCN(c2ccccc2)C1 ZINC000450469102 374151772 /nfs/dbraw/zinc/15/17/72/374151772.db2.gz QIKDGRFESXFZQX-KRWDZBQOSA-N 1 1 283.419 3.281 20 30 CGEDMO C=CCC1(C(=O)N2C[C@@H](C)[N@H+](C)C[C@H]2C)CCCCC1 ZINC000450536745 374158617 /nfs/dbraw/zinc/15/86/17/374158617.db2.gz AZGMOCJXRDRCDU-HUUCEWRRSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000450689693 374172470 /nfs/dbraw/zinc/17/24/70/374172470.db2.gz FMPLFHWAESCVHY-INIZCTEOSA-N 1 1 278.440 3.256 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@@H](O)CCc1ccccc1 ZINC000182405574 374270662 /nfs/dbraw/zinc/27/06/62/374270662.db2.gz NLXYDHGILJBJKO-KRWDZBQOSA-N 1 1 288.435 3.242 20 30 CGEDMO Cc1ccoc1C[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000313895909 374308340 /nfs/dbraw/zinc/30/83/40/374308340.db2.gz QFYAVEIXOYWZKO-UHFFFAOYSA-N 1 1 284.359 3.361 20 30 CGEDMO C=CC[N@@H+](CCCn1ccnc1)Cc1cccs1 ZINC000182663382 374308636 /nfs/dbraw/zinc/30/86/36/374308636.db2.gz NSLTZJSIRMIFFN-UHFFFAOYSA-N 1 1 261.394 3.023 20 30 CGEDMO Cc1nc(NCCC[N@H+](C)C2CCCCC2)ccc1C#N ZINC000314054454 374310996 /nfs/dbraw/zinc/31/09/96/374310996.db2.gz UOTVACFWBFXYPC-UHFFFAOYSA-N 1 1 286.423 3.328 20 30 CGEDMO CC(C)c1cnc(C[NH2+]Cc2cccc(C#N)c2)s1 ZINC000183446218 374416086 /nfs/dbraw/zinc/41/60/86/374416086.db2.gz OQYDLLKPNHTDBG-UHFFFAOYSA-N 1 1 271.389 3.428 20 30 CGEDMO C=C(C)C[NH+]1CCC(N[C@@H](C)c2cnc(C)s2)CC1 ZINC000090408623 541961016 /nfs/dbraw/zinc/96/10/16/541961016.db2.gz QIBSKZTUQLQKOO-LBPRGKRZSA-N 1 1 279.453 3.143 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000185044717 374579375 /nfs/dbraw/zinc/57/93/75/374579375.db2.gz YWYRUVWCFNZOEH-NVXWUHKLSA-N 1 1 286.419 3.104 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000185044717 374579384 /nfs/dbraw/zinc/57/93/84/374579384.db2.gz YWYRUVWCFNZOEH-NVXWUHKLSA-N 1 1 286.419 3.104 20 30 CGEDMO C[C@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000334150407 374650584 /nfs/dbraw/zinc/65/05/84/374650584.db2.gz IZZGPRYDOOPFCH-RFAUZJTJSA-N 1 1 288.347 3.371 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000334226140 374660507 /nfs/dbraw/zinc/66/05/07/374660507.db2.gz FBEMRXHIQMFGGG-GOSISDBHSA-N 1 1 284.403 3.448 20 30 CGEDMO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459434462 374807096 /nfs/dbraw/zinc/80/70/96/374807096.db2.gz ORAQQTNGXRRPRL-AGIUHOORSA-N 1 1 287.363 3.333 20 30 CGEDMO Cn1ncc2c1CCC[N@@H+](CCC1(C#N)CCCCC1)C2 ZINC000334648406 374940289 /nfs/dbraw/zinc/94/02/89/374940289.db2.gz XMQRNGNLPSAEFT-UHFFFAOYSA-N 1 1 286.423 3.032 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccc(CC)cc1 ZINC000467301239 374974107 /nfs/dbraw/zinc/97/41/07/374974107.db2.gz ZJFGODLWRPWHDU-CABCVRRESA-N 1 1 288.435 3.323 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(CC)cc1 ZINC000467301240 374974792 /nfs/dbraw/zinc/97/47/92/374974792.db2.gz ZJFGODLWRPWHDU-GJZGRUSLSA-N 1 1 288.435 3.323 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCCC[C@H](COC)C1 ZINC000468699102 374983033 /nfs/dbraw/zinc/98/30/33/374983033.db2.gz RNTCPULIJGIKCS-INIZCTEOSA-N 1 1 289.419 3.500 20 30 CGEDMO CC[N@@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)C[C@@H](C)C#N ZINC000470176484 374996087 /nfs/dbraw/zinc/99/60/87/374996087.db2.gz WRCWBCDYMLKKGC-MQJVFOOVSA-N 1 1 287.363 3.480 20 30 CGEDMO CC[N@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)C[C@@H](C)C#N ZINC000470176484 374996094 /nfs/dbraw/zinc/99/60/94/374996094.db2.gz WRCWBCDYMLKKGC-MQJVFOOVSA-N 1 1 287.363 3.480 20 30 CGEDMO C=C(C)C[N@H+](CCC(=O)NCCCC)Cc1ccccc1 ZINC000470926925 375001654 /nfs/dbraw/zinc/00/16/54/375001654.db2.gz VOYGNFWDXLOGGP-UHFFFAOYSA-N 1 1 288.435 3.371 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000472567450 375024137 /nfs/dbraw/zinc/02/41/37/375024137.db2.gz CKDZDKYNRILKFK-NJAFHUGGSA-N 1 1 273.420 3.267 20 30 CGEDMO C=CCCCCNC(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000472833801 375035277 /nfs/dbraw/zinc/03/52/77/375035277.db2.gz OEYWIYOQYYMKHM-MRXNPFEDSA-N 1 1 295.471 3.010 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000187713934 375078894 /nfs/dbraw/zinc/07/88/94/375078894.db2.gz BQEDSNOAPAZISC-VKJFTORMSA-N 1 1 294.402 3.399 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000483418418 375179862 /nfs/dbraw/zinc/17/98/62/375179862.db2.gz ZHSHKLKFPIRLJO-KRWDZBQOSA-N 1 1 277.383 3.382 20 30 CGEDMO C=CC[N@H+](CCOC)C[C@H](C)c1ccc(F)cc1 ZINC000483408808 375179959 /nfs/dbraw/zinc/17/99/59/375179959.db2.gz OVUCWFRLCBJKTA-ZDUSSCGKSA-N 1 1 251.345 3.064 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000188570024 375233598 /nfs/dbraw/zinc/23/35/98/375233598.db2.gz WZUDRLLQXVITLL-QAPCUYQASA-N 1 1 288.435 3.225 20 30 CGEDMO C=CCC[C@@H](C(=O)N1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000188699416 375255697 /nfs/dbraw/zinc/25/56/97/375255697.db2.gz GCZMNZVIYZGUOE-GOSISDBHSA-N 1 1 298.430 3.043 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cccc(Br)c1C ZINC000484583036 375189567 /nfs/dbraw/zinc/18/95/67/375189567.db2.gz LDKMFPPLRJCBAA-UHFFFAOYSA-N 1 1 298.224 3.392 20 30 CGEDMO COCC[N@@H+](Cc1cc(C#N)ccc1F)[C@@H]1CCC[C@H]1C ZINC000487998207 375294693 /nfs/dbraw/zinc/29/46/93/375294693.db2.gz HDUXHTZXMOFKNS-CXAGYDPISA-N 1 1 290.382 3.334 20 30 CGEDMO C=CCCC[N@H+](C)Cc1nc(-c2ccccc2F)no1 ZINC000189038438 375314286 /nfs/dbraw/zinc/31/42/86/375314286.db2.gz CZPHMEJGNGOWED-UHFFFAOYSA-N 1 1 275.327 3.274 20 30 CGEDMO N#C[C@H]1CC[C@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000335835233 375470282 /nfs/dbraw/zinc/47/02/82/375470282.db2.gz OIAJSARXQKLQQZ-HOCLYGCPSA-N 1 1 275.440 3.065 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000493980599 375484385 /nfs/dbraw/zinc/48/43/85/375484385.db2.gz CGEHPBHRJFYSAM-UONOGXRCSA-N 1 1 282.428 3.188 20 30 CGEDMO C=C[C@H]1CCCCN1C(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC000495231311 375499707 /nfs/dbraw/zinc/49/97/07/375499707.db2.gz OLGYKGLAOBRZQG-CVEARBPZSA-N 1 1 293.455 3.001 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccc(N(C)C(C)C)nc1 ZINC000191383451 375620473 /nfs/dbraw/zinc/62/04/73/375620473.db2.gz AQVXJXGNFSUAMK-UHFFFAOYSA-N 1 1 261.413 3.324 20 30 CGEDMO C=C[C@@H](C)[NH2+][C@@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000119311898 542005608 /nfs/dbraw/zinc/00/56/08/542005608.db2.gz WLGYXDONLSAKFV-MNOVXSKESA-N 1 1 290.798 3.454 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CC[C@](F)(c2cc(C)cc(F)c2)C1 ZINC000502891854 375648270 /nfs/dbraw/zinc/64/82/70/375648270.db2.gz AICZKQKNGVOWMT-DLBZAZTESA-N 1 1 295.373 3.332 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@](F)(c2cc(C)cc(F)c2)C1 ZINC000502891854 375648279 /nfs/dbraw/zinc/64/82/79/375648279.db2.gz AICZKQKNGVOWMT-DLBZAZTESA-N 1 1 295.373 3.332 20 30 CGEDMO Cc1cccc(C2=CC[N@@H+](Cc3cc(C#N)n(C)c3)CC2)c1 ZINC000191469889 375632067 /nfs/dbraw/zinc/63/20/67/375632067.db2.gz ZZDKSRUZPFHQHM-UHFFFAOYSA-N 1 1 291.398 3.495 20 30 CGEDMO Cc1cc(-n2ccnc2)ccc1C[N@@H+](CCC#N)CC1CC1 ZINC000192054581 375694380 /nfs/dbraw/zinc/69/43/80/375694380.db2.gz JPKKMUJJLQAXDL-UHFFFAOYSA-N 1 1 294.402 3.306 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccncc2)cc1F ZINC000192134095 375700233 /nfs/dbraw/zinc/70/02/33/375700233.db2.gz QSLABZLEKDAKSQ-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccncc2)cc1F ZINC000192134095 375700241 /nfs/dbraw/zinc/70/02/41/375700241.db2.gz QSLABZLEKDAKSQ-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](CC2(C#N)CCC2)C1 ZINC000336261998 375766124 /nfs/dbraw/zinc/76/61/24/375766124.db2.gz YZQMIBYWSRFUSI-HIFRSBDPSA-N 1 1 255.365 3.158 20 30 CGEDMO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](CC2(C#N)CCC2)C1 ZINC000336261998 375766129 /nfs/dbraw/zinc/76/61/29/375766129.db2.gz YZQMIBYWSRFUSI-HIFRSBDPSA-N 1 1 255.365 3.158 20 30 CGEDMO C=C(C)CC[N@H+]1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000509022052 375768133 /nfs/dbraw/zinc/76/81/33/375768133.db2.gz JTTWFZOSWHKLJV-INIZCTEOSA-N 1 1 263.356 3.474 20 30 CGEDMO CC1(C)C[N@H+](CC2(C#N)CC2)CC[C@@H]1C(F)(F)F ZINC000336309562 375775394 /nfs/dbraw/zinc/77/53/94/375775394.db2.gz HQBWMFRFDQUBNN-JTQLQIEISA-N 1 1 260.303 3.201 20 30 CGEDMO CC1(C)C[N@@H+](CC2(C#N)CC2)CC[C@@H]1C(F)(F)F ZINC000336309562 375775398 /nfs/dbraw/zinc/77/53/98/375775398.db2.gz HQBWMFRFDQUBNN-JTQLQIEISA-N 1 1 260.303 3.201 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000515206155 375811676 /nfs/dbraw/zinc/81/16/76/375811676.db2.gz HKCPFLLMMPRWAK-GFCCVEGCSA-N 1 1 265.319 3.386 20 30 CGEDMO C[C@@H](CC#N)[N@H+](C)CCCOc1ccc(Cl)cc1 ZINC000193538906 375893391 /nfs/dbraw/zinc/89/33/91/375893391.db2.gz VUGBRYHDUBNJDX-LBPRGKRZSA-N 1 1 266.772 3.343 20 30 CGEDMO C[C@@H](CC#N)[N@@H+](C)CCCOc1ccc(Cl)cc1 ZINC000193538906 375893395 /nfs/dbraw/zinc/89/33/95/375893395.db2.gz VUGBRYHDUBNJDX-LBPRGKRZSA-N 1 1 266.772 3.343 20 30 CGEDMO CC(C)[C@H]1CN(CC2(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000528642617 375907391 /nfs/dbraw/zinc/90/73/91/375907391.db2.gz XDLQVXSRFVDLRT-GOSISDBHSA-N 1 1 297.446 3.133 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000528739534 375908802 /nfs/dbraw/zinc/90/88/02/375908802.db2.gz KOLWJJZTMSMWNA-ZDUSSCGKSA-N 1 1 271.408 3.457 20 30 CGEDMO Cn1c2ccccc2nc1[C@@H]1CCCC[N@@H+]1CCCC#N ZINC000533387767 375955345 /nfs/dbraw/zinc/95/53/45/375955345.db2.gz RGLOFLSAASMAEZ-INIZCTEOSA-N 1 1 282.391 3.404 20 30 CGEDMO Cn1c2ccccc2nc1[C@@H]1CCCC[N@H+]1CCCC#N ZINC000533387767 375955351 /nfs/dbraw/zinc/95/53/51/375955351.db2.gz RGLOFLSAASMAEZ-INIZCTEOSA-N 1 1 282.391 3.404 20 30 CGEDMO CC[N@@H+](CCC[C@@H](C)O)[C@@H](C)c1ccc(C#N)cc1 ZINC000336817416 375972872 /nfs/dbraw/zinc/97/28/72/375972872.db2.gz QGZVUEMEQQNMDW-KGLIPLIRSA-N 1 1 260.381 3.102 20 30 CGEDMO C[C@@H](C#N)C[NH2+][C@H]1CCc2cc(F)c(Cl)cc21 ZINC000529540066 375927750 /nfs/dbraw/zinc/92/77/50/375927750.db2.gz DTAPSZJAJHRJSD-SDBXPKJASA-N 1 1 252.720 3.216 20 30 CGEDMO C[C@H](C#N)C[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21 ZINC000529540063 375928570 /nfs/dbraw/zinc/92/85/70/375928570.db2.gz DTAPSZJAJHRJSD-AMIZOPFISA-N 1 1 252.720 3.216 20 30 CGEDMO C=CC[N@@H+](CC1CCCCC1)C[C@@H]1CCCOC1 ZINC000532276265 375948817 /nfs/dbraw/zinc/94/88/17/375948817.db2.gz ZBHPYXIUYAEOAZ-INIZCTEOSA-N 1 1 251.414 3.481 20 30 CGEDMO COC(C)(C)C[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000532340058 375951285 /nfs/dbraw/zinc/95/12/85/375951285.db2.gz KFYUTZCOUKMODE-UHFFFAOYSA-N 1 1 299.336 3.414 20 30 CGEDMO C[N@H+]1CCC[C@@H]1CCN1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000336858417 376014719 /nfs/dbraw/zinc/01/47/19/376014719.db2.gz YUNUIJSBIRATQL-GUDVDZBRSA-N 1 1 297.446 3.242 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000536629749 376105812 /nfs/dbraw/zinc/10/58/12/376105812.db2.gz PUBBQIWTNJIOLU-HNNXBMFYSA-N 1 1 269.373 3.352 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000536629749 376105820 /nfs/dbraw/zinc/10/58/20/376105820.db2.gz PUBBQIWTNJIOLU-HNNXBMFYSA-N 1 1 269.373 3.352 20 30 CGEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H](c2ccccc2)C(C)C)C1=O ZINC000337171799 376113126 /nfs/dbraw/zinc/11/31/26/376113126.db2.gz GBQWFQWNAQWEJO-DLBZAZTESA-N 1 1 286.419 3.102 20 30 CGEDMO COC(=O)c1cccc(C[N@@H+](C2CC2)C2CCCC2)c1C#N ZINC000535965491 376075631 /nfs/dbraw/zinc/07/56/31/376075631.db2.gz YHUVGIDMDGFYOU-UHFFFAOYSA-N 1 1 298.386 3.252 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000536203062 376082839 /nfs/dbraw/zinc/08/28/39/376082839.db2.gz IIFHKJZXGUBUCX-CQSZACIVSA-N 1 1 251.757 3.369 20 30 CGEDMO C=CCCC[C@@H](C)[N@@H+]1CCN(CCOC)[C@@H](CCC)C1 ZINC000538142405 376222678 /nfs/dbraw/zinc/22/26/78/376222678.db2.gz AGQDKOPVUWTFMB-SJORKVTESA-N 1 1 282.472 3.164 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)Cc1ccc2[nH]cnc2c1 ZINC000538739743 376268377 /nfs/dbraw/zinc/26/83/77/376268377.db2.gz YIYGECRIUGKRET-UHFFFAOYSA-N 1 1 270.380 3.325 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)Cc1ccc2[nH]cnc2c1 ZINC000538739743 376268388 /nfs/dbraw/zinc/26/83/88/376268388.db2.gz YIYGECRIUGKRET-UHFFFAOYSA-N 1 1 270.380 3.325 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)Cc1ccc2nc[nH]c2c1 ZINC000538739743 376268394 /nfs/dbraw/zinc/26/83/94/376268394.db2.gz YIYGECRIUGKRET-UHFFFAOYSA-N 1 1 270.380 3.325 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)Cc1ccc2nc[nH]c2c1 ZINC000538739743 376268401 /nfs/dbraw/zinc/26/84/01/376268401.db2.gz YIYGECRIUGKRET-UHFFFAOYSA-N 1 1 270.380 3.325 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000539433954 376311992 /nfs/dbraw/zinc/31/19/92/376311992.db2.gz VQUBZGPFWDLUBD-XHSDSOJGSA-N 1 1 295.471 3.293 20 30 CGEDMO C=CC[N@@H+](CC(=O)N[C@@H](C)c1ccc(CC)cc1)C1CC1 ZINC000540055745 376354133 /nfs/dbraw/zinc/35/41/33/376354133.db2.gz QDEVZVLWZIBERT-AWEZNQCLSA-N 1 1 286.419 3.077 20 30 CGEDMO C=CC[N@H+](CC(=O)N[C@@H](C)c1ccc(CC)cc1)C1CC1 ZINC000540055745 376354141 /nfs/dbraw/zinc/35/41/41/376354141.db2.gz QDEVZVLWZIBERT-AWEZNQCLSA-N 1 1 286.419 3.077 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccncc1F ZINC000338357952 376349574 /nfs/dbraw/zinc/34/95/74/376349574.db2.gz PSOQUIAOENTNFT-JTQLQIEISA-N 1 1 273.286 3.082 20 30 CGEDMO C=C(CC)C[N@H+](C)CC(=O)Nc1cccc(C)c1C ZINC000540193269 376363736 /nfs/dbraw/zinc/36/37/36/376363736.db2.gz MEMNBVUMJZFVKS-UHFFFAOYSA-N 1 1 260.381 3.140 20 30 CGEDMO C=C(CC)C[N@@H+](C)CC(=O)Nc1cccc(C)c1C ZINC000540193269 376363743 /nfs/dbraw/zinc/36/37/43/376363743.db2.gz MEMNBVUMJZFVKS-UHFFFAOYSA-N 1 1 260.381 3.140 20 30 CGEDMO C=C(CC)C[N@H+](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000540216758 376368002 /nfs/dbraw/zinc/36/80/02/376368002.db2.gz CTQBLWPNKCDAIR-UHFFFAOYSA-N 1 1 296.798 3.185 20 30 CGEDMO C=C(CC)C[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000540216758 376368010 /nfs/dbraw/zinc/36/80/10/376368010.db2.gz CTQBLWPNKCDAIR-UHFFFAOYSA-N 1 1 296.798 3.185 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@H](C(=O)NCCCC)C1 ZINC000540341186 376370897 /nfs/dbraw/zinc/37/08/97/376370897.db2.gz XHWDDVUFYVQVLN-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@@H]1c1ccccc1OC ZINC000338963545 376603160 /nfs/dbraw/zinc/60/31/60/376603160.db2.gz ZRMAVIZLYBSBFY-OAHLLOKOSA-N 1 1 261.365 3.035 20 30 CGEDMO Cc1ccccc1[C@@H]1CCC[N@H+]1CCOCCC#N ZINC000338918848 376576036 /nfs/dbraw/zinc/57/60/36/376576036.db2.gz TZRIOUJAJTXLBQ-INIZCTEOSA-N 1 1 258.365 3.062 20 30 CGEDMO N#CCC1CC[NH+](Cc2cc(-c3ccco3)on2)CC1 ZINC000542882451 376589060 /nfs/dbraw/zinc/58/90/60/376589060.db2.gz CEKBZYMKFBKNTN-UHFFFAOYSA-N 1 1 271.320 3.060 20 30 CGEDMO COc1cc(C[N@H+]2CC[C@H](C)[C@@H](C)C2)ccc1C#N ZINC000235000074 376629550 /nfs/dbraw/zinc/62/95/50/376629550.db2.gz IEVXEAVPAIHJHO-STQMWFEESA-N 1 1 258.365 3.045 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@@H]2COc3ccc(Cl)cc32)s1 ZINC000334351625 206412262 /nfs/dbraw/zinc/41/22/62/206412262.db2.gz GLGIUEZXYUEAKS-CYBMUJFWSA-N 1 1 290.775 3.496 20 30 CGEDMO C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCC(CC#N)CC1 ZINC000543810902 376679609 /nfs/dbraw/zinc/67/96/09/376679609.db2.gz MGHSZTIMNNJIII-CYBMUJFWSA-N 1 1 296.374 3.423 20 30 CGEDMO C=CCCC[N@@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000339154064 376713840 /nfs/dbraw/zinc/71/38/40/376713840.db2.gz KTZCETGAWFLHGR-QGZVFWFLSA-N 1 1 259.393 3.226 20 30 CGEDMO C[C@H]1C[C@H](c2ccccc2)CC[N@H+]1CCOCCC#N ZINC000339157631 376716538 /nfs/dbraw/zinc/71/65/38/376716538.db2.gz LWXLCSAQUCQBNO-DOTOQJQBSA-N 1 1 272.392 3.185 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@H](Nc3ccccc3)C2)c1 ZINC000237845733 376763205 /nfs/dbraw/zinc/76/32/05/376763205.db2.gz UICZRJIJIVNDMX-SFHVURJKSA-N 1 1 277.371 3.245 20 30 CGEDMO CC(C)n1cc([C@H](C)[NH2+]Cc2cccc(C#N)c2F)cn1 ZINC000544469635 376739916 /nfs/dbraw/zinc/73/99/16/376739916.db2.gz VRWJGJPJXJGMOT-LBPRGKRZSA-N 1 1 286.354 3.326 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@H]1CCC ZINC000544528751 376743373 /nfs/dbraw/zinc/74/33/73/376743373.db2.gz ITTZWSVWXBPQNZ-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO CC(F)(F)c1ccc(C[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000339415924 376752362 /nfs/dbraw/zinc/75/23/62/376752362.db2.gz AWEFNLCYFOWPEC-UHFFFAOYSA-N 1 1 293.342 3.416 20 30 CGEDMO C=CCOCC[N@@H+]1C[C@H](c2ccc(C)cc2)C[C@H]1C ZINC000555462940 376856110 /nfs/dbraw/zinc/85/61/10/376856110.db2.gz UDJHRFXHSBULLS-NVXWUHKLSA-N 1 1 259.393 3.375 20 30 CGEDMO C=CCOCC[N@@H+]1C[C@H](c2ccc(C)cc2)C[C@@H]1C ZINC000555462939 376856545 /nfs/dbraw/zinc/85/65/45/376856545.db2.gz UDJHRFXHSBULLS-DOTOQJQBSA-N 1 1 259.393 3.375 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000556271440 376861464 /nfs/dbraw/zinc/86/14/64/376861464.db2.gz QFTRXYJVCSGVQQ-MRXNPFEDSA-N 1 1 286.419 3.328 20 30 CGEDMO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NCc1cc(C#N)cs1 ZINC000246257375 376998863 /nfs/dbraw/zinc/99/88/63/376998863.db2.gz UIFFYFNKVMXTCO-MJBXVCDLSA-N 1 1 291.464 3.076 20 30 CGEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NCc1cc(C#N)cs1 ZINC000246257375 376998868 /nfs/dbraw/zinc/99/88/68/376998868.db2.gz UIFFYFNKVMXTCO-MJBXVCDLSA-N 1 1 291.464 3.076 20 30 CGEDMO CC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000246920180 377119875 /nfs/dbraw/zinc/11/98/75/377119875.db2.gz BGDPYHOKCAXMKQ-CABCVRRESA-N 1 1 299.418 3.397 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)cn1)[C@H](C)c1ccc(C#N)cc1 ZINC000559283985 377077212 /nfs/dbraw/zinc/07/72/12/377077212.db2.gz MHBADNQKZHDBLZ-CQSZACIVSA-N 1 1 290.370 3.408 20 30 CGEDMO CC[N@@H+](Cc1cccc(C(=O)OC)c1C#N)C1CCCC1 ZINC000559394856 377083678 /nfs/dbraw/zinc/08/36/78/377083678.db2.gz VCEGGUPJOZWCLM-UHFFFAOYSA-N 1 1 286.375 3.109 20 30 CGEDMO C[C@H]1C[N@@H+](CCCSCC#N)[C@H]1c1ccccc1 ZINC000248369771 377297228 /nfs/dbraw/zinc/29/72/28/377297228.db2.gz WRANDOFDFYNNKI-DZGCQCFKSA-N 1 1 260.406 3.326 20 30 CGEDMO CC#CCC[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000248389787 377303989 /nfs/dbraw/zinc/30/39/89/377303989.db2.gz GXPZAVAGTNSPFI-CABCVRRESA-N 1 1 298.213 3.297 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000248398478 377308201 /nfs/dbraw/zinc/30/82/01/377308201.db2.gz UEXGGQHSDJLMJF-ZIAGYGMSSA-N 1 1 263.406 3.049 20 30 CGEDMO CC[C@H](CC#N)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000248401794 377308809 /nfs/dbraw/zinc/30/88/09/377308809.db2.gz SUGIAEJHDQAHEY-DJIMGWMZSA-N 1 1 271.408 3.104 20 30 CGEDMO CC[C@H](CC#N)[NH2+][C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000248401794 377308816 /nfs/dbraw/zinc/30/88/16/377308816.db2.gz SUGIAEJHDQAHEY-DJIMGWMZSA-N 1 1 271.408 3.104 20 30 CGEDMO C=CCCCCC[N@@H+]1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000248654633 377377595 /nfs/dbraw/zinc/37/75/95/377377595.db2.gz AQZYJSHEZNCELL-HRCADAONSA-N 1 1 267.413 3.001 20 30 CGEDMO CC[C@H](C)C[N@@H+](C)Cc1cn2ccccc2c1C#N ZINC000341005508 377353939 /nfs/dbraw/zinc/35/39/39/377353939.db2.gz FPRAJAYGPKEEDU-ZDUSSCGKSA-N 1 1 255.365 3.289 20 30 CGEDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000563216236 377421211 /nfs/dbraw/zinc/42/12/11/377421211.db2.gz UATZHDSIRIIMRA-RISCZKNCSA-N 1 1 273.336 3.087 20 30 CGEDMO N#CC1(CC[N@@H+]2CCCC[C@@H]2C2(O)CC2)CCCCC1 ZINC000563247895 377427753 /nfs/dbraw/zinc/42/77/53/377427753.db2.gz XAXPQJFUYUSZSE-OAHLLOKOSA-N 1 1 276.424 3.230 20 30 CGEDMO N#C[C@@H]1CCC[C@H](N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000248800118 377402698 /nfs/dbraw/zinc/40/26/98/377402698.db2.gz JOVBJMINIJTDKI-NZSAHSFTSA-N 1 1 297.446 3.495 20 30 CGEDMO C=CCCCCCN(C)C(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000564592486 377477677 /nfs/dbraw/zinc/47/76/77/377477677.db2.gz VENPSGBDGLWGLN-OAHLLOKOSA-N 1 1 283.460 3.103 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CC[C@@H](C)[C@H](OC)C2)c1 ZINC000249242240 377480844 /nfs/dbraw/zinc/48/08/44/377480844.db2.gz WSTDKMSAXFVFSM-RHSMWYFYSA-N 1 1 275.392 3.108 20 30 CGEDMO N#CCC[NH2+][C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000570795375 377539486 /nfs/dbraw/zinc/53/94/86/377539486.db2.gz RTQADNXZBBVEIQ-CMPLNLGQSA-N 1 1 254.255 3.065 20 30 CGEDMO CC[N@@H+]1C[C@@H](C)N(Cc2ccccc2C(C)(C)C#N)[C@@H](C)C1 ZINC000572205169 377547926 /nfs/dbraw/zinc/54/79/26/377547926.db2.gz ZPJONJYHTRBECY-IYBDPMFKSA-N 1 1 299.462 3.402 20 30 CGEDMO CCN1C[C@@H](C)[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@@H](C)C1 ZINC000572205169 377547929 /nfs/dbraw/zinc/54/79/29/377547929.db2.gz ZPJONJYHTRBECY-IYBDPMFKSA-N 1 1 299.462 3.402 20 30 CGEDMO CCN1C[C@@H](C)[N@H+](Cc2ccccc2C(C)(C)C#N)[C@@H](C)C1 ZINC000572205169 377547932 /nfs/dbraw/zinc/54/79/32/377547932.db2.gz ZPJONJYHTRBECY-IYBDPMFKSA-N 1 1 299.462 3.402 20 30 CGEDMO C=C(CC)C[NH2+][C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000573606856 377557918 /nfs/dbraw/zinc/55/79/18/377557918.db2.gz GIPHXCOJPGFVQK-ZDUSSCGKSA-N 1 1 271.364 3.277 20 30 CGEDMO COCC[N@@H+](Cc1ccccc1C#N)[C@@H]1CCC[C@@H]1C ZINC000487967504 249172039 /nfs/dbraw/zinc/17/20/39/249172039.db2.gz ZEEMNMUQILUWAL-WMLDXEAASA-N 1 1 272.392 3.195 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[NH+]1CCN(Cc2ccco2)CC1 ZINC000265480634 190185286 /nfs/dbraw/zinc/18/52/86/190185286.db2.gz LOULHYGSTNDWTG-OAHLLOKOSA-N 1 1 295.386 3.030 20 30 CGEDMO COc1ccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)c(F)c1 ZINC000574695998 377696286 /nfs/dbraw/zinc/69/62/86/377696286.db2.gz JTWMEKKXNPZZKV-UHFFFAOYSA-N 1 1 296.345 3.485 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CC[C@@H]1CCCO1 ZINC000342590897 377677971 /nfs/dbraw/zinc/67/79/71/377677971.db2.gz NUKFUEHKFODVLW-BBRMVZONSA-N 1 1 258.365 3.120 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CC[C@H]1CCCO1 ZINC000342592185 377679717 /nfs/dbraw/zinc/67/97/17/377679717.db2.gz NUKFUEHKFODVLW-XJKSGUPXSA-N 1 1 258.365 3.120 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000575101731 377748908 /nfs/dbraw/zinc/74/89/08/377748908.db2.gz CYHYRHBICFAMIR-OAHLLOKOSA-N 1 1 290.794 3.091 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000575101731 377748920 /nfs/dbraw/zinc/74/89/20/377748920.db2.gz CYHYRHBICFAMIR-OAHLLOKOSA-N 1 1 290.794 3.091 20 30 CGEDMO Cc1[nH+]ccn1CCCSc1cccc(C#N)c1 ZINC000342709051 377749309 /nfs/dbraw/zinc/74/93/09/377749309.db2.gz IQKDRGQSLQEANR-UHFFFAOYSA-N 1 1 257.362 3.246 20 30 CGEDMO CC[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccn(C)n1 ZINC000342808945 377809325 /nfs/dbraw/zinc/80/93/25/377809325.db2.gz SAXWRHOOTUFUIF-HNNXBMFYSA-N 1 1 280.375 3.022 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](CCCCC(=O)OC(C)(C)C)C1CC1 ZINC000343426514 377977436 /nfs/dbraw/zinc/97/74/36/377977436.db2.gz QQWKKESOTSRBAR-ZDUSSCGKSA-N 1 1 280.412 3.122 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc2c(cc1SC)OCCO2 ZINC000343443874 377980530 /nfs/dbraw/zinc/98/05/30/377980530.db2.gz OUYFZUTVDWGFMY-UHFFFAOYSA-N 1 1 279.405 3.188 20 30 CGEDMO C=CCC[N@H+](C)Cc1nc2c(s1)C[C@H](C)CC2 ZINC000343452511 377983886 /nfs/dbraw/zinc/98/38/86/377983886.db2.gz ZXTINZUDKIRQQD-LLVKDONJSA-N 1 1 250.411 3.276 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CC[C@@H](C)[C@H](OC)C1 ZINC000343468171 377988464 /nfs/dbraw/zinc/98/84/64/377988464.db2.gz LKJBMUINQVLYIG-RHSMWYFYSA-N 1 1 275.392 3.108 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@H](C)[C@H](OC)C2)cc1 ZINC000343466081 377989230 /nfs/dbraw/zinc/98/92/30/377989230.db2.gz IHIZECJIPIXGHH-WMLDXEAASA-N 1 1 275.392 3.108 20 30 CGEDMO CCC[C@@]1(C)CCC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000577861912 378018199 /nfs/dbraw/zinc/01/81/99/378018199.db2.gz QGHMWATXWZXQBT-INIZCTEOSA-N 1 1 257.381 3.355 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000343498103 377996429 /nfs/dbraw/zinc/99/64/29/377996429.db2.gz ACXXWKRZJQWBOP-GOEBONIOSA-N 1 1 278.440 3.254 20 30 CGEDMO COC(=O)[C@@H](c1ccccc1)[N@H+](C)CCCC(C)(C)C#N ZINC000266958794 378029350 /nfs/dbraw/zinc/02/93/50/378029350.db2.gz WWDMGCGWRNNNES-OAHLLOKOSA-N 1 1 288.391 3.162 20 30 CGEDMO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CCCC(C)(C)C#N ZINC000266958794 378029356 /nfs/dbraw/zinc/02/93/56/378029356.db2.gz WWDMGCGWRNNNES-OAHLLOKOSA-N 1 1 288.391 3.162 20 30 CGEDMO C=CC[N@H+](CCC(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000343602376 378036572 /nfs/dbraw/zinc/03/65/72/378036572.db2.gz JVYCNNSETDGLJZ-HNNXBMFYSA-N 1 1 299.422 3.257 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000268632167 378083910 /nfs/dbraw/zinc/08/39/10/378083910.db2.gz KQSIWTJTIPPWEZ-IUODEOHRSA-N 1 1 251.345 3.146 20 30 CGEDMO N#CCc1ccc(C[N@@H+](CCCO)Cc2ccccc2)cc1 ZINC000343613278 378041657 /nfs/dbraw/zinc/04/16/57/378041657.db2.gz PDPUIFGNVCISCF-UHFFFAOYSA-N 1 1 294.398 3.137 20 30 CGEDMO C[C@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000268630022 378082909 /nfs/dbraw/zinc/08/29/09/378082909.db2.gz BLCJEMJXKWKSRM-IFXJQAMLSA-N 1 1 292.382 3.211 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H]2CCC[C@H]21 ZINC000578993172 378120429 /nfs/dbraw/zinc/12/04/29/378120429.db2.gz SIGAUQZTNCMPSD-CABCVRRESA-N 1 1 299.374 3.477 20 30 CGEDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1nc(C#N)cs1 ZINC000579019915 378123440 /nfs/dbraw/zinc/12/34/40/378123440.db2.gz RWVRMHXBNKMGHC-NTZNESFSSA-N 1 1 261.394 3.168 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)Cc1cncc(OC)c1 ZINC000343947977 378141119 /nfs/dbraw/zinc/14/11/19/378141119.db2.gz CIUDMXZGRNNYEI-UHFFFAOYSA-N 1 1 268.360 3.278 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cncc(OC)c1 ZINC000343947977 378141121 /nfs/dbraw/zinc/14/11/21/378141121.db2.gz CIUDMXZGRNNYEI-UHFFFAOYSA-N 1 1 268.360 3.278 20 30 CGEDMO CCC[N@@H+](CC)Cc1ccc(N(C)CCC#N)cc1 ZINC000269359203 378210639 /nfs/dbraw/zinc/21/06/39/378210639.db2.gz OCOIEWOAJNJARQ-UHFFFAOYSA-N 1 1 259.397 3.268 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000580014211 378216413 /nfs/dbraw/zinc/21/64/13/378216413.db2.gz ALNLSYZQJBXBFG-INIZCTEOSA-N 1 1 290.370 3.282 20 30 CGEDMO N#Cc1c(F)cccc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000269397608 378216533 /nfs/dbraw/zinc/21/65/33/378216533.db2.gz FHCGYJJCROOEIO-GUYCJALGSA-N 1 1 299.393 3.150 20 30 CGEDMO CCC[N@@H+](CC)C[C@H](C)N[C@@H](C)c1ccc(C#N)cc1F ZINC000579651538 378179472 /nfs/dbraw/zinc/17/94/72/378179472.db2.gz LUODHUKKLIHIJJ-KBPBESRZSA-N 1 1 291.414 3.468 20 30 CGEDMO CC[C@H]([NH2+][C@@H](C)c1ccon1)c1ccc(C#N)cc1 ZINC000583480019 378326903 /nfs/dbraw/zinc/32/69/03/378326903.db2.gz XWFHYJPQNDBOSL-FZMZJTMJSA-N 1 1 255.321 3.348 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(CCC(C)(C)C#N)C1 ZINC000345734658 378358807 /nfs/dbraw/zinc/35/88/07/378358807.db2.gz DMEOXMQYBZBVFW-OWCLPIDISA-N 1 1 277.456 3.263 20 30 CGEDMO N#Cc1ccc(C[N@H+](Cc2cccs2)C2CC2)nc1 ZINC000582217845 378294826 /nfs/dbraw/zinc/29/48/26/378294826.db2.gz GBRKJBMHNIBTCW-UHFFFAOYSA-N 1 1 269.373 3.179 20 30 CGEDMO N#Cc1ccc(C[N@@H+](Cc2cccs2)C2CC2)nc1 ZINC000582217845 378294831 /nfs/dbraw/zinc/29/48/31/378294831.db2.gz GBRKJBMHNIBTCW-UHFFFAOYSA-N 1 1 269.373 3.179 20 30 CGEDMO CCc1nc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)cs1 ZINC000618742187 378410424 /nfs/dbraw/zinc/41/04/24/378410424.db2.gz KVCMKVKPMUMKOQ-HNNXBMFYSA-N 1 1 283.400 3.354 20 30 CGEDMO COc1ccc(C[N@@H+](C)CC(C)C)cc1OCCCC#N ZINC000271062116 378443914 /nfs/dbraw/zinc/44/39/14/378443914.db2.gz XXWKGUPDZMQGCR-UHFFFAOYSA-N 1 1 290.407 3.466 20 30 CGEDMO C[C@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CC[C@@H]1C ZINC000271067120 378445933 /nfs/dbraw/zinc/44/59/33/378445933.db2.gz UPSSXWUBCWLTES-KBPBESRZSA-N 1 1 258.365 3.067 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)s1)C1Cc2ccccc2C1 ZINC000271126420 378457852 /nfs/dbraw/zinc/45/78/52/378457852.db2.gz HPDIHBCSUKUZIL-UHFFFAOYSA-N 1 1 268.385 3.219 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](COC)C2)cc1Cl ZINC000271160386 378466733 /nfs/dbraw/zinc/46/67/33/378466733.db2.gz FKGKUBOFPGORDC-CQSZACIVSA-N 1 1 295.810 3.373 20 30 CGEDMO CN1CC[N@@H+](CC(C)(C)CCC#N)Cc2ccccc21 ZINC000271165867 378468131 /nfs/dbraw/zinc/46/81/31/378468131.db2.gz RZPPKHWZHOSCPJ-UHFFFAOYSA-N 1 1 271.408 3.268 20 30 CGEDMO N#CCOc1ccc(C[N@@H+](Cc2ccccn2)C2CC2)cc1 ZINC000271587551 378499441 /nfs/dbraw/zinc/49/94/41/378499441.db2.gz SQJYVSMRPCGXKI-UHFFFAOYSA-N 1 1 293.370 3.149 20 30 CGEDMO C=C(C)C[N@@H+](CC)C[C@@H]1CCN(c2ccccc2)C1 ZINC000637837850 378596707 /nfs/dbraw/zinc/59/67/07/378596707.db2.gz MSTXCZVZNYKEQL-INIZCTEOSA-N 1 1 258.409 3.411 20 30 CGEDMO C=CC[N@@H+](CCCCC(=O)OCC)CCc1ccco1 ZINC000272274055 378602819 /nfs/dbraw/zinc/60/28/19/378602819.db2.gz LVKGSQWXMJFKKZ-UHFFFAOYSA-N 1 1 279.380 3.044 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1ncc(C)s1 ZINC000272322024 378612556 /nfs/dbraw/zinc/61/25/56/378612556.db2.gz UNHLHLHBNDOBCD-UHFFFAOYSA-N 1 1 262.378 3.275 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1ncc(C)s1 ZINC000272322024 378612565 /nfs/dbraw/zinc/61/25/65/378612565.db2.gz UNHLHLHBNDOBCD-UHFFFAOYSA-N 1 1 262.378 3.275 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1nnc(-c2ccco2)o1 ZINC000272347226 378616922 /nfs/dbraw/zinc/61/69/22/378616922.db2.gz ZVAZMGCIMNSVSK-UHFFFAOYSA-N 1 1 299.330 3.153 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1nnc(-c2ccco2)o1 ZINC000272347226 378616926 /nfs/dbraw/zinc/61/69/26/378616926.db2.gz ZVAZMGCIMNSVSK-UHFFFAOYSA-N 1 1 299.330 3.153 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc2c(c1)ncn2C ZINC000272607648 378676692 /nfs/dbraw/zinc/67/66/92/378676692.db2.gz JVSAVBIPUNKQKW-UHFFFAOYSA-N 1 1 295.386 3.397 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000346965627 378700169 /nfs/dbraw/zinc/70/01/69/378700169.db2.gz QXYWWOZDJNHQFE-INIZCTEOSA-N 1 1 290.382 3.219 20 30 CGEDMO C=CCOCCC[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000348048047 378766833 /nfs/dbraw/zinc/76/68/33/378766833.db2.gz MUOYXYFCMVRHCG-INIZCTEOSA-N 1 1 267.413 3.003 20 30 CGEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCCC3(CCC3)C2)c1 ZINC000348175730 378823680 /nfs/dbraw/zinc/82/36/80/378823680.db2.gz DSFGVAJAGANKAT-UHFFFAOYSA-N 1 1 297.402 3.153 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H]1CCSC1 ZINC000278507816 194017882 /nfs/dbraw/zinc/01/78/82/194017882.db2.gz WKHWOUOVNFCNNU-OAHLLOKOSA-N 1 1 277.433 3.436 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000348223993 378847932 /nfs/dbraw/zinc/84/79/32/378847932.db2.gz BGAPFZGAMZAJCT-IGCXYCKISA-N 1 1 270.376 3.119 20 30 CGEDMO C=C(C)C[N@H+](CCC(=O)OC(C)C)Cc1ccccc1 ZINC000348237689 378855804 /nfs/dbraw/zinc/85/58/04/378855804.db2.gz NZKUYWZQLZKQBE-UHFFFAOYSA-N 1 1 275.392 3.406 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000274730406 378884818 /nfs/dbraw/zinc/88/48/18/378884818.db2.gz BYDNACLGRCWSMC-UHFFFAOYSA-N 1 1 269.392 3.037 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cc(C)ns1 ZINC000638918421 378953898 /nfs/dbraw/zinc/95/38/98/378953898.db2.gz POLLSDWGUNSCIH-UHFFFAOYSA-N 1 1 262.378 3.275 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)CCCCO)cc1Cl ZINC000276721200 378984821 /nfs/dbraw/zinc/98/48/21/378984821.db2.gz WSPLCROWTGDMRZ-UHFFFAOYSA-N 1 1 283.799 3.109 20 30 CGEDMO C=CCC[N@H+](C)Cc1c(C(F)(F)F)nc2n1CCCC2 ZINC000639091554 379013106 /nfs/dbraw/zinc/01/31/06/379013106.db2.gz PJDRUIZAHLUNPI-UHFFFAOYSA-N 1 1 287.329 3.246 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccc2nccnc2c1 ZINC000639112103 379036124 /nfs/dbraw/zinc/03/61/24/379036124.db2.gz NNEZUOTVVCMZIE-CQSZACIVSA-N 1 1 253.349 3.170 20 30 CGEDMO N#Cc1cnc(NC[C@@H]2CCCC[N@H+]2C2CC2)c(Cl)c1 ZINC000277444456 379159899 /nfs/dbraw/zinc/15/98/99/379159899.db2.gz NOXXPFPOWRDLHY-ZDUSSCGKSA-N 1 1 290.798 3.035 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H]2C2CC2)cc1 ZINC000371419621 379162247 /nfs/dbraw/zinc/16/22/47/379162247.db2.gz NZQSIXMWKUHRML-CXAGYDPISA-N 1 1 270.376 3.352 20 30 CGEDMO N#CCCCC[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000371518838 379165561 /nfs/dbraw/zinc/16/55/61/379165561.db2.gz UAQGNADCSNWOQY-UHFFFAOYSA-N 1 1 256.349 3.175 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1c1nc(C(=O)OC)c(C)s1 ZINC000373509651 379289610 /nfs/dbraw/zinc/28/96/10/379289610.db2.gz PTMDMTDNYWNDHQ-GFCCVEGCSA-N 1 1 294.420 3.341 20 30 CGEDMO C[C@@H]([NH2+][C@@H](CO)c1ccsc1)c1ccc(C#N)cc1F ZINC000349418149 379277649 /nfs/dbraw/zinc/27/76/49/379277649.db2.gz AQBQRWTWLTUHAV-BMIGLBTASA-N 1 1 290.363 3.143 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1F)[C@H](CCO)c1ccccc1 ZINC000266609155 190271424 /nfs/dbraw/zinc/27/14/24/190271424.db2.gz VIENGRKCCBWLSE-GOSISDBHSA-N 1 1 298.361 3.253 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1F)[C@H](CCO)c1ccccc1 ZINC000266609155 190271425 /nfs/dbraw/zinc/27/14/25/190271425.db2.gz VIENGRKCCBWLSE-GOSISDBHSA-N 1 1 298.361 3.253 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H]1CCO[C@@H]1C ZINC000639457080 379404436 /nfs/dbraw/zinc/40/44/36/379404436.db2.gz WSXIYHLKKNSQJQ-ZBFHGGJFSA-N 1 1 275.392 3.108 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1coc(-c2c(F)cccc2F)n1 ZINC000279385761 379424484 /nfs/dbraw/zinc/42/44/84/379424484.db2.gz YHWBNTPRDHTNGP-UHFFFAOYSA-N 1 1 290.313 3.463 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1coc(-c2c(F)cccc2F)n1 ZINC000279385761 379424492 /nfs/dbraw/zinc/42/44/92/379424492.db2.gz YHWBNTPRDHTNGP-UHFFFAOYSA-N 1 1 290.313 3.463 20 30 CGEDMO CC1=C(c2ccco2)C[N@@H+](CCCSCC#N)CC1 ZINC000374532038 379454726 /nfs/dbraw/zinc/45/47/26/379454726.db2.gz UCBPJFHKLDQMRB-UHFFFAOYSA-N 1 1 276.405 3.406 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000375011471 379485965 /nfs/dbraw/zinc/48/59/65/379485965.db2.gz FZHLKRVZJLOVHQ-HOTGVXAUSA-N 1 1 278.440 3.455 20 30 CGEDMO CCCCCCCC[N@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000375932015 379518230 /nfs/dbraw/zinc/51/82/30/379518230.db2.gz MGKCRZSXFZMTGS-PBHICJAKSA-N 1 1 259.459 3.047 20 30 CGEDMO COc1cc(C#N)ccc1OCC[N@H+]1C[C@@H](C)CC1(C)C ZINC000350156210 379521515 /nfs/dbraw/zinc/52/15/15/379521515.db2.gz QICZIGGIBZAYDU-ZDUSSCGKSA-N 1 1 288.391 3.066 20 30 CGEDMO CCN(CC)[C@H](C)C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000279986927 379572602 /nfs/dbraw/zinc/57/26/02/379572602.db2.gz DZWYQHLPZKXNGC-OLZOCXBDSA-N 1 1 277.387 3.078 20 30 CGEDMO C=CCCC[N@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000351064594 379630704 /nfs/dbraw/zinc/63/07/04/379630704.db2.gz PAYQQFVZEXSIJO-UHFFFAOYSA-N 1 1 267.376 3.197 20 30 CGEDMO CC#CCC[N@H+](Cc1ccc(OC)cc1)[C@H](C)CCCO ZINC000640015327 379686754 /nfs/dbraw/zinc/68/67/54/379686754.db2.gz AJKXSFNXNNJKNI-MRXNPFEDSA-N 1 1 289.419 3.072 20 30 CGEDMO C=CCOc1ccc(CNc2cc(CCOC)cc[nH+]2)cc1 ZINC000351549875 379727195 /nfs/dbraw/zinc/72/71/95/379727195.db2.gz FSXHAMIZDIRRQN-UHFFFAOYSA-N 1 1 298.386 3.447 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](Cc1cccc(F)c1)C(C)C ZINC000351638348 379733405 /nfs/dbraw/zinc/73/34/05/379733405.db2.gz BYOMVPWTHKLDPU-MRXNPFEDSA-N 1 1 265.372 3.363 20 30 CGEDMO CC[C@H]1C[C@H](C)C[N@H+]1CCOc1ccccc1C#N ZINC000399742634 379942585 /nfs/dbraw/zinc/94/25/85/379942585.db2.gz JMQZVEXSQLHVLB-ZFWWWQNUSA-N 1 1 258.365 3.057 20 30 CGEDMO CC(C)([NH2+]Cc1nc(C#N)cs1)c1ccccc1 ZINC000352824505 379983946 /nfs/dbraw/zinc/98/39/46/379983946.db2.gz QZAOWMAPUORXKK-UHFFFAOYSA-N 1 1 257.362 3.040 20 30 CGEDMO COC(=O)CC[N@@H+](CCC1(C#N)CCCCC1)C(C)C ZINC000411269891 380139283 /nfs/dbraw/zinc/13/92/83/380139283.db2.gz OUJBZFODBWFOKM-UHFFFAOYSA-N 1 1 280.412 3.124 20 30 CGEDMO Cc1nccn1CCC[N@H+](C)CCC1(C#N)CCCCC1 ZINC000411396253 380142511 /nfs/dbraw/zinc/14/25/11/380142511.db2.gz FOLXNNLNRFFDIL-UHFFFAOYSA-N 1 1 288.439 3.378 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccccc1C#N)c1ccc2n[nH]cc2c1 ZINC000353091121 380110199 /nfs/dbraw/zinc/11/01/99/380110199.db2.gz PFGBBMYONRAZFN-GFCCVEGCSA-N 1 1 276.343 3.285 20 30 CGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](CC)CC(=C)C ZINC000641937412 380122956 /nfs/dbraw/zinc/12/29/56/380122956.db2.gz VYXRXELOUWNHRB-KRWDZBQOSA-N 1 1 289.419 3.053 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)NCCCC ZINC000411134275 380130072 /nfs/dbraw/zinc/13/00/72/380130072.db2.gz JEEINRXMTYKSFS-CYBMUJFWSA-N 1 1 280.437 3.041 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)NCCCC ZINC000411134275 380130077 /nfs/dbraw/zinc/13/00/77/380130077.db2.gz JEEINRXMTYKSFS-CYBMUJFWSA-N 1 1 280.437 3.041 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)[C@@H](C)C(=O)N[C@@H](C)CCC ZINC000411492593 380148899 /nfs/dbraw/zinc/14/88/99/380148899.db2.gz XDJLXQQNGFWXDC-GJZGRUSLSA-N 1 1 292.423 3.003 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)[C@@H](C)C(=O)N[C@@H](C)CCC ZINC000411492593 380148904 /nfs/dbraw/zinc/14/89/04/380148904.db2.gz XDJLXQQNGFWXDC-GJZGRUSLSA-N 1 1 292.423 3.003 20 30 CGEDMO C[N@@H+](CCOCc1ccccc1)Cc1ccc(C#N)cc1 ZINC000268271574 190391608 /nfs/dbraw/zinc/39/16/08/190391608.db2.gz HHYWOVZNYBXFHW-UHFFFAOYSA-N 1 1 280.371 3.207 20 30 CGEDMO C[N@H+](Cc1cc(F)ccc1C#N)[C@H](CCO)c1ccccc1 ZINC000268283169 190392534 /nfs/dbraw/zinc/39/25/34/190392534.db2.gz GQQLEIMVEPBBFP-GOSISDBHSA-N 1 1 298.361 3.253 20 30 CGEDMO C[N@@H+](Cc1cc(F)ccc1C#N)[C@H](CCO)c1ccccc1 ZINC000268283169 190392535 /nfs/dbraw/zinc/39/25/35/190392535.db2.gz GQQLEIMVEPBBFP-GOSISDBHSA-N 1 1 298.361 3.253 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)CC1CC(OCC)C1 ZINC000285842519 380152702 /nfs/dbraw/zinc/15/27/02/380152702.db2.gz CKXYLTDTTBIJFZ-UHFFFAOYSA-N 1 1 284.403 3.361 20 30 CGEDMO CCC[N@@H+]1CCC[C@@H]1CN[C@H](C)c1cccc(C#N)c1 ZINC000353972745 380259803 /nfs/dbraw/zinc/25/98/03/380259803.db2.gz OPGCLECPEGMAIW-RHSMWYFYSA-N 1 1 271.408 3.083 20 30 CGEDMO CCC[N@H+]1CCC[C@@H]1CN[C@H](C)c1cccc(C#N)c1 ZINC000353972745 380259809 /nfs/dbraw/zinc/25/98/09/380259809.db2.gz OPGCLECPEGMAIW-RHSMWYFYSA-N 1 1 271.408 3.083 20 30 CGEDMO Clc1cccc(C#CC[N@@H+]2CCOCC3(CCC3)C2)c1 ZINC000353660136 380218533 /nfs/dbraw/zinc/21/85/33/380218533.db2.gz LRAGBPIWHBFSRY-UHFFFAOYSA-N 1 1 289.806 3.194 20 30 CGEDMO Clc1cccc(C#CC[N@H+]2CCOCC3(CCC3)C2)c1 ZINC000353660136 380218537 /nfs/dbraw/zinc/21/85/37/380218537.db2.gz LRAGBPIWHBFSRY-UHFFFAOYSA-N 1 1 289.806 3.194 20 30 CGEDMO C[N@H+](Cc1ccc(OCC(F)F)cc1)CC(C)(C)C#N ZINC000354016780 380280328 /nfs/dbraw/zinc/28/03/28/380280328.db2.gz CPNQUDBDJVIJQM-UHFFFAOYSA-N 1 1 282.334 3.312 20 30 CGEDMO C[N@@H+](Cc1ccc(OCC(F)F)cc1)CC(C)(C)C#N ZINC000354016780 380280334 /nfs/dbraw/zinc/28/03/34/380280334.db2.gz CPNQUDBDJVIJQM-UHFFFAOYSA-N 1 1 282.334 3.312 20 30 CGEDMO Cn1cc(C[N@H+](C)CC(C)(C)C#N)c(-c2cccs2)n1 ZINC000354036822 380292725 /nfs/dbraw/zinc/29/27/25/380292725.db2.gz HZWPYDHFEYAIGH-UHFFFAOYSA-N 1 1 288.420 3.130 20 30 CGEDMO Cn1cc(C[N@@H+](C)CC(C)(C)C#N)c(-c2cccs2)n1 ZINC000354036822 380292731 /nfs/dbraw/zinc/29/27/31/380292731.db2.gz HZWPYDHFEYAIGH-UHFFFAOYSA-N 1 1 288.420 3.130 20 30 CGEDMO COc1cc(C[N@H+]2CC(C)(C)C[C@@H]2C)ccc1C#N ZINC000414522235 380294699 /nfs/dbraw/zinc/29/46/99/380294699.db2.gz GHBFKEHSNBLDGT-LBPRGKRZSA-N 1 1 258.365 3.187 20 30 CGEDMO CCCC[N@@H+](CCOc1ccc(C#N)cc1OC)C1CC1 ZINC000354245683 380375605 /nfs/dbraw/zinc/37/56/05/380375605.db2.gz WHSKCTJMIJATJJ-UHFFFAOYSA-N 1 1 288.391 3.210 20 30 CGEDMO C=CCOCC[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000645092301 380577159 /nfs/dbraw/zinc/57/71/59/380577159.db2.gz JXUSRBPGVPKZFI-AWEZNQCLSA-N 1 1 286.375 3.210 20 30 CGEDMO C=CCOCC[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000645092302 380577654 /nfs/dbraw/zinc/57/76/54/380577654.db2.gz JXUSRBPGVPKZFI-CQSZACIVSA-N 1 1 286.375 3.210 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1cncn1CC ZINC000417763278 380673725 /nfs/dbraw/zinc/67/37/25/380673725.db2.gz VIZSFQSYACHALS-UHFFFAOYSA-N 1 1 269.392 3.134 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)CC1(C)C ZINC000355504454 380691894 /nfs/dbraw/zinc/69/18/94/380691894.db2.gz GLUAZHIKUWJONM-CYBMUJFWSA-N 1 1 282.391 3.074 20 30 CGEDMO C=CC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000355738215 380764599 /nfs/dbraw/zinc/76/45/99/380764599.db2.gz IGYBADIPABPHTR-SFHVURJKSA-N 1 1 270.420 3.161 20 30 CGEDMO C=CC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000355738215 380764602 /nfs/dbraw/zinc/76/46/02/380764602.db2.gz IGYBADIPABPHTR-SFHVURJKSA-N 1 1 270.420 3.161 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000355738215 380764605 /nfs/dbraw/zinc/76/46/05/380764605.db2.gz IGYBADIPABPHTR-SFHVURJKSA-N 1 1 270.420 3.161 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000355738215 380764609 /nfs/dbraw/zinc/76/46/09/380764609.db2.gz IGYBADIPABPHTR-SFHVURJKSA-N 1 1 270.420 3.161 20 30 CGEDMO C=CC[N@H+](CCC[C@@H]1CCOC1)Cc1ccc(OC)cc1 ZINC000645780474 380728808 /nfs/dbraw/zinc/72/88/08/380728808.db2.gz SQIOPRYOFCSLMC-QGZVFWFLSA-N 1 1 289.419 3.500 20 30 CGEDMO C=CC1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000355674082 380746366 /nfs/dbraw/zinc/74/63/66/380746366.db2.gz BKAXCXFRVWPEHO-SFHVURJKSA-N 1 1 270.420 3.159 20 30 CGEDMO C=CC1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000355674082 380746370 /nfs/dbraw/zinc/74/63/70/380746370.db2.gz BKAXCXFRVWPEHO-SFHVURJKSA-N 1 1 270.420 3.159 20 30 CGEDMO N#CCCC[N@@H+]1CCC[C@H]1Cc1cc(F)ccc1F ZINC000419280752 380792522 /nfs/dbraw/zinc/79/25/22/380792522.db2.gz AKXXJCPJTVEUBV-AWEZNQCLSA-N 1 1 264.319 3.275 20 30 CGEDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1CCCC1(C#N)CCOCC1 ZINC000419352754 380812173 /nfs/dbraw/zinc/81/21/73/380812173.db2.gz KJAYMLLVWOAAFH-QLFBSQMISA-N 1 1 264.413 3.063 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](O)[C@@H]1CCc1ccccc1 ZINC000646073205 380822502 /nfs/dbraw/zinc/82/25/02/380822502.db2.gz SEFWOOXSBBWRSN-IRXDYDNUSA-N 1 1 259.393 3.021 20 30 CGEDMO OCC[C@@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)CC1 ZINC000421014086 380867550 /nfs/dbraw/zinc/86/75/50/380867550.db2.gz JZNIKBMOWRFUGD-OAHLLOKOSA-N 1 1 291.822 3.176 20 30 CGEDMO COc1ccc2c(c1)OC(C)(C)C[N@H+](CCCCC#N)C2 ZINC000421039463 380870297 /nfs/dbraw/zinc/87/02/97/380870297.db2.gz MDKXRXINTBDFBQ-UHFFFAOYSA-N 1 1 288.391 3.362 20 30 CGEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNCc1ccc(C#N)c(F)c1 ZINC000421326389 380877073 /nfs/dbraw/zinc/87/70/73/380877073.db2.gz NWGUMKWXHZWDKP-OKILXGFUSA-N 1 1 289.398 3.050 20 30 CGEDMO C[C@@H]1CCC[C@H](C)N1CC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421326389 380877089 /nfs/dbraw/zinc/87/70/89/380877089.db2.gz NWGUMKWXHZWDKP-OKILXGFUSA-N 1 1 289.398 3.050 20 30 CGEDMO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1CCCCC#N ZINC000420920981 380860853 /nfs/dbraw/zinc/86/08/53/380860853.db2.gz CEVZUTNFLHCZKH-KBPBESRZSA-N 1 1 280.412 3.122 20 30 CGEDMO CC[N@@H+](CCOc1ccccc1C)Cc1ccc(C#N)o1 ZINC000421388578 380933726 /nfs/dbraw/zinc/93/37/26/380933726.db2.gz QBMZBICHZNCHFT-UHFFFAOYSA-N 1 1 284.359 3.361 20 30 CGEDMO C[N@H+]1CC[C@H](CSc2cccc(Cl)c2C#N)C1 ZINC000334780903 207064531 /nfs/dbraw/zinc/06/45/31/207064531.db2.gz GAMJHKRAOANRRX-JTQLQIEISA-N 1 1 266.797 3.255 20 30 CGEDMO C=CC[N@H+](Cc1cccc(C(=O)NCC(C)C)c1)C1CC1 ZINC000357527924 381197239 /nfs/dbraw/zinc/19/72/39/381197239.db2.gz GTCHXIITJDXZFL-UHFFFAOYSA-N 1 1 286.419 3.223 20 30 CGEDMO CCOCCC[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000357629010 381235088 /nfs/dbraw/zinc/23/50/88/381235088.db2.gz OAGKYNLHICHFGM-UHFFFAOYSA-N 1 1 274.408 3.443 20 30 CGEDMO C[C@@H]1CCC[C@@H](C)[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000357740300 381272551 /nfs/dbraw/zinc/27/25/51/381272551.db2.gz JAFQHXNEZAXKEN-HUUCEWRRSA-N 1 1 299.418 3.397 20 30 CGEDMO CCC[N@H+](CCN(CC)CC)Cc1ccc(CC#N)cc1 ZINC000359597787 381355091 /nfs/dbraw/zinc/35/50/91/381355091.db2.gz JPVMZJYHLJURBL-UHFFFAOYSA-N 1 1 287.451 3.306 20 30 CGEDMO CCC[N@@H+](CCN(CC)CC)Cc1ccc(CC#N)cc1 ZINC000359597787 381355097 /nfs/dbraw/zinc/35/50/97/381355097.db2.gz JPVMZJYHLJURBL-UHFFFAOYSA-N 1 1 287.451 3.306 20 30 CGEDMO C=CCC[C@H](CC)[NH2+]C1CCN(C2CCC2)CC1 ZINC000360161579 381463428 /nfs/dbraw/zinc/46/34/28/381463428.db2.gz IKCWXHSLIILMEH-AWEZNQCLSA-N 1 1 250.430 3.338 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000360345656 381522300 /nfs/dbraw/zinc/52/23/00/381522300.db2.gz RBNYTOCHIONUGA-OAHLLOKOSA-N 1 1 295.361 3.157 20 30 CGEDMO CO[C@]1(C)CCC[N@@H+](Cc2ccc(CC#N)cc2)CC1 ZINC000361423630 381741347 /nfs/dbraw/zinc/74/13/47/381741347.db2.gz VIJDTOOXBXCHGE-QGZVFWFLSA-N 1 1 272.392 3.144 20 30 CGEDMO Cn1cc(C[N@H+]2Cc3ccccc3C(C)(C)C2)cc1C#N ZINC000361555460 381800706 /nfs/dbraw/zinc/80/07/06/381800706.db2.gz YMBXXJVCQGAUML-UHFFFAOYSA-N 1 1 279.387 3.190 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000740877663 572465593 /nfs/dbraw/zinc/46/55/93/572465593.db2.gz WEXDEDJLKFXTCJ-HNNXBMFYSA-N 1 1 266.429 3.044 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1C[C@@H](SC)[C@H](N2CCCC2)C1 ZINC000362015914 381881090 /nfs/dbraw/zinc/88/10/90/381881090.db2.gz OZUJPKWKOUTDDN-ARFHVFGLSA-N 1 1 282.497 3.243 20 30 CGEDMO C=CCCC[C@H](C)N1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1 ZINC000362015914 381881095 /nfs/dbraw/zinc/88/10/95/381881095.db2.gz OZUJPKWKOUTDDN-ARFHVFGLSA-N 1 1 282.497 3.243 20 30 CGEDMO CC(C)(C#N)CCC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000362066796 381883002 /nfs/dbraw/zinc/88/30/02/381883002.db2.gz OISHBWWGHKLNHB-QGZVFWFLSA-N 1 1 297.402 3.262 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000362066796 381883007 /nfs/dbraw/zinc/88/30/07/381883007.db2.gz OISHBWWGHKLNHB-QGZVFWFLSA-N 1 1 297.402 3.262 20 30 CGEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCCC2(C1)CCCCCC2 ZINC000362380330 381964305 /nfs/dbraw/zinc/96/43/05/381964305.db2.gz PQABCQAPWZQGNE-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@@](C)(CC)C1 ZINC000362390377 381970161 /nfs/dbraw/zinc/97/01/61/381970161.db2.gz ITYUFWXDUAAZDL-NVXWUHKLSA-N 1 1 280.456 3.312 20 30 CGEDMO CC[C@]1(C)CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000362391588 381972923 /nfs/dbraw/zinc/97/29/23/381972923.db2.gz QZOYDSMKMXLSSO-KBXCAEBGSA-N 1 1 299.418 3.397 20 30 CGEDMO C=CCSc1ccccc1C(=O)NCC[N@H+](C)C(C)C ZINC000362403793 381977925 /nfs/dbraw/zinc/97/79/25/381977925.db2.gz QZPHCXRTTZVEFP-UHFFFAOYSA-N 1 1 292.448 3.035 20 30 CGEDMO Cc1cc(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])ccc1C#N ZINC000362936632 382155944 /nfs/dbraw/zinc/15/59/44/382155944.db2.gz WRKVYLIERGDVNP-UHFFFAOYSA-N 1 1 295.342 3.407 20 30 CGEDMO Cc1cc(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])ccc1C#N ZINC000362936632 382155951 /nfs/dbraw/zinc/15/59/51/382155951.db2.gz WRKVYLIERGDVNP-UHFFFAOYSA-N 1 1 295.342 3.407 20 30 CGEDMO Cc1ccc(C[N@H+](C)Cc2ccc(C#N)c(C)c2)o1 ZINC000362966960 382167957 /nfs/dbraw/zinc/16/79/57/382167957.db2.gz NRDOMCYUWSVKBC-UHFFFAOYSA-N 1 1 254.333 3.400 20 30 CGEDMO C[C@@H]1[N@@H+](CC(C)(C)CCC#N)CCC12CCOCC2 ZINC000363865168 382259370 /nfs/dbraw/zinc/25/93/70/382259370.db2.gz GEHFNQATFFFEOM-AWEZNQCLSA-N 1 1 264.413 3.207 20 30 CGEDMO Clc1ccc(C#CC[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000365884013 382298152 /nfs/dbraw/zinc/29/81/52/382298152.db2.gz HBYTXKJXZUYVIT-HNNXBMFYSA-N 1 1 299.805 3.294 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2cccc(C#N)c2F)CCS1 ZINC000335291946 208121234 /nfs/dbraw/zinc/12/12/34/208121234.db2.gz GVXAJBVKOISTII-NSHDSACASA-N 1 1 264.369 3.025 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)ccc1C#N ZINC000335380089 208320438 /nfs/dbraw/zinc/32/04/38/208320438.db2.gz MNCVVZJHYJKACO-QZTJIDSGSA-N 1 1 284.403 3.258 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)cc1F ZINC000335380761 208324273 /nfs/dbraw/zinc/32/42/73/208324273.db2.gz QGHTUERCADQKGY-WBVHZDCISA-N 1 1 288.366 3.088 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c1F ZINC000335381898 208326038 /nfs/dbraw/zinc/32/60/38/208326038.db2.gz WUUNPUHDOMWAEQ-HZPDHXFCSA-N 1 1 288.366 3.088 20 30 CGEDMO C[C@H]([NH2+][C@H](c1nccn1C)C1CC1)c1cccc(C#N)c1 ZINC000353881067 220384548 /nfs/dbraw/zinc/38/45/48/220384548.db2.gz POTKBLDJOOKSND-LRDDRELGSA-N 1 1 280.375 3.094 20 30 CGEDMO CCC[N@@H+](Cc1c(C)cnn1C)Cc1ccc(C#N)cc1 ZINC000288964019 197201288 /nfs/dbraw/zinc/20/12/88/197201288.db2.gz BEHRXAMWHRSRDY-UHFFFAOYSA-N 1 1 282.391 3.012 20 30 CGEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@]1(C)CCCC[C@H]1O ZINC000329385105 542446303 /nfs/dbraw/zinc/44/63/03/542446303.db2.gz PUKMGYGUXNLGTM-INMHGKMJSA-N 1 1 296.455 3.149 20 30 CGEDMO C#CC[N@H+](CC)[C@@H]1CCOc2ccc(Br)cc21 ZINC000733197029 572542701 /nfs/dbraw/zinc/54/27/01/572542701.db2.gz LKVUKUVTSJKXAY-CYBMUJFWSA-N 1 1 294.192 3.228 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@@H](C)C1(C)CC1 ZINC000156731025 533266789 /nfs/dbraw/zinc/26/67/89/533266789.db2.gz LKNGSFJEUZEYIJ-LBPRGKRZSA-N 1 1 258.365 3.187 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CC(C)(C)C[C@@H]1C ZINC000412040097 533267764 /nfs/dbraw/zinc/26/77/64/533267764.db2.gz KCWWYEUGJFOPCF-LBPRGKRZSA-N 1 1 258.365 3.187 20 30 CGEDMO COc1c(O)cccc1C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425364124 533442930 /nfs/dbraw/zinc/44/29/30/533442930.db2.gz FJNGGAVKHKLPLK-ZDUSSCGKSA-N 1 1 296.370 3.465 20 30 CGEDMO COc1c(O)cccc1C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425364124 533442935 /nfs/dbraw/zinc/44/29/35/533442935.db2.gz FJNGGAVKHKLPLK-ZDUSSCGKSA-N 1 1 296.370 3.465 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(C#N)cc1F ZINC000358568430 533461995 /nfs/dbraw/zinc/46/19/95/533461995.db2.gz LAKXEKGADMWBKH-LLVKDONJSA-N 1 1 299.305 3.456 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1ccccc1OC(F)F ZINC000263812859 533505216 /nfs/dbraw/zinc/50/52/16/533505216.db2.gz YZBWNQDVZGCCSV-UHFFFAOYSA-N 1 1 298.333 3.125 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1ccccc1OC(F)F ZINC000263812859 533505221 /nfs/dbraw/zinc/50/52/21/533505221.db2.gz YZBWNQDVZGCCSV-UHFFFAOYSA-N 1 1 298.333 3.125 20 30 CGEDMO C=CC[N@H+](CCC(=O)CC)Cc1ccc(OC)cc1 ZINC000190195642 130071990 /nfs/dbraw/zinc/07/19/90/130071990.db2.gz XGDDEAGBMBGSSK-UHFFFAOYSA-N 1 1 261.365 3.052 20 30 CGEDMO CCC[N@@H+](CCC(=O)CC)Cc1ccc(C#N)cc1 ZINC000190187768 130072198 /nfs/dbraw/zinc/07/21/98/130072198.db2.gz TXGJYDIQHFNOSX-UHFFFAOYSA-N 1 1 258.365 3.139 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@H]2C2CCCC2)cc1C#N ZINC000191268692 130212559 /nfs/dbraw/zinc/21/25/59/130212559.db2.gz BBHGRMWNBNBKCM-INIZCTEOSA-N 1 1 257.381 3.051 20 30 CGEDMO C[C@H]1CCC[C@H]([N@@H+](C)CCOc2cccc(C#N)c2)C1 ZINC000048335270 391997017 /nfs/dbraw/zinc/99/70/17/391997017.db2.gz NDBBAWFBFNNXEW-HOCLYGCPSA-N 1 1 272.392 3.448 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1F ZINC000051401090 392069987 /nfs/dbraw/zinc/06/99/87/392069987.db2.gz LCXCYHSRINJMLQ-UHFFFAOYSA-N 1 1 272.298 3.468 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1F ZINC000051401090 392069991 /nfs/dbraw/zinc/06/99/91/392069991.db2.gz LCXCYHSRINJMLQ-UHFFFAOYSA-N 1 1 272.298 3.468 20 30 CGEDMO C[C@@H]1[C@@H](C)CCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000050564779 392065214 /nfs/dbraw/zinc/06/52/14/392065214.db2.gz UBYLORFQEUVFOC-LSDHHAIUSA-N 1 1 272.392 3.448 20 30 CGEDMO C[C@@H]1CCC[C@H](C)[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000093509185 392237604 /nfs/dbraw/zinc/23/76/04/392237604.db2.gz UZLYGOLTOFVYBD-KGLIPLIRSA-N 1 1 282.391 3.216 20 30 CGEDMO C=CC[N@@H+](Cc1cccn1C)Cc1cccc(C#N)c1 ZINC000092504612 392232858 /nfs/dbraw/zinc/23/28/58/392232858.db2.gz XGZUQWNFEALILC-UHFFFAOYSA-N 1 1 265.360 3.085 20 30 CGEDMO C=CC[N@H+](Cc1cccn1C)Cc1cccc(C#N)c1 ZINC000092504612 392232861 /nfs/dbraw/zinc/23/28/61/392232861.db2.gz XGZUQWNFEALILC-UHFFFAOYSA-N 1 1 265.360 3.085 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H](O)CCC(C)C ZINC000361261050 392269664 /nfs/dbraw/zinc/26/96/64/392269664.db2.gz DAXKKABMJKVVNI-GOSISDBHSA-N 1 1 286.419 3.343 20 30 CGEDMO C=C(C)[C@H]([NH2+]Cc1c(C)cnn1C)c1ccc(F)c(F)c1 ZINC000285936476 392350920 /nfs/dbraw/zinc/35/09/20/392350920.db2.gz LYOMQGALNHDXQV-INIZCTEOSA-N 1 1 291.345 3.414 20 30 CGEDMO CN(C)c1ccccc1C[N@H+](C)Cc1ccccc1C#N ZINC000288804554 392409583 /nfs/dbraw/zinc/40/95/83/392409583.db2.gz KWHZAKQXOYQCNY-UHFFFAOYSA-N 1 1 279.387 3.256 20 30 CGEDMO CN(C)c1ccccc1C[N@@H+](C)Cc1ccccc1C#N ZINC000288804554 392409585 /nfs/dbraw/zinc/40/95/85/392409585.db2.gz KWHZAKQXOYQCNY-UHFFFAOYSA-N 1 1 279.387 3.256 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000121848755 392416119 /nfs/dbraw/zinc/41/61/19/392416119.db2.gz FKYXZRFDZRAKBY-CYBMUJFWSA-N 1 1 287.325 3.464 20 30 CGEDMO CC[N@@H+](CC#Cc1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC000289743489 392431965 /nfs/dbraw/zinc/43/19/65/392431965.db2.gz JRYUTMOYKPNDHG-KRWDZBQOSA-N 1 1 271.404 3.318 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@H]2C)cc1OCCCC#N ZINC000124385903 392433855 /nfs/dbraw/zinc/43/38/55/392433855.db2.gz XWMSNSGFPBTKNO-CQSZACIVSA-N 1 1 288.391 3.362 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1cnc(Br)s1 ZINC000290048450 392439647 /nfs/dbraw/zinc/43/96/47/392439647.db2.gz OOYFMKFAMMQOSQ-UHFFFAOYSA-N 1 1 275.215 3.304 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cnc(Br)s1 ZINC000290048450 392439652 /nfs/dbraw/zinc/43/96/52/392439652.db2.gz OOYFMKFAMMQOSQ-UHFFFAOYSA-N 1 1 275.215 3.304 20 30 CGEDMO C[C@@H]1SCC[N@H+](Cc2cc(C#N)ccc2F)[C@H]1C ZINC000134773241 392468099 /nfs/dbraw/zinc/46/80/99/392468099.db2.gz CRWSQGGTSULQKX-QWRGUYRKSA-N 1 1 264.369 3.023 20 30 CGEDMO C[C@@H]1SCC[N@@H+](Cc2cc(C#N)ccc2F)[C@H]1C ZINC000134773241 392468102 /nfs/dbraw/zinc/46/81/02/392468102.db2.gz CRWSQGGTSULQKX-QWRGUYRKSA-N 1 1 264.369 3.023 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000121147491 392408247 /nfs/dbraw/zinc/40/82/47/392408247.db2.gz HJJFCGLVQDRZNF-GJZGRUSLSA-N 1 1 266.429 3.064 20 30 CGEDMO C=CCCCCC[N@H+](C)CCC(=O)N1CCCCC1 ZINC000150881961 392481620 /nfs/dbraw/zinc/48/16/20/392481620.db2.gz ILYXEIXTEGMDEK-UHFFFAOYSA-N 1 1 266.429 3.067 20 30 CGEDMO Cc1ccnc(C2CC[NH+](Cc3ccccc3C#N)CC2)n1 ZINC000371834390 392560788 /nfs/dbraw/zinc/56/07/88/392560788.db2.gz JNOIUXDKHNYDFQ-UHFFFAOYSA-N 1 1 292.386 3.036 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000374258881 392672723 /nfs/dbraw/zinc/67/27/23/392672723.db2.gz MZTZDGSASZDJBF-INIZCTEOSA-N 1 1 272.392 3.470 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)CCc1cccnc1 ZINC000173551586 392626924 /nfs/dbraw/zinc/62/69/24/392626924.db2.gz ZKWYNDBLYGLRSO-UHFFFAOYSA-N 1 1 259.397 3.276 20 30 CGEDMO COC(=O)c1cc(C[N@@H+](C)CCCC(C)(C)C#N)oc1C ZINC000174813420 392645834 /nfs/dbraw/zinc/64/58/34/392645834.db2.gz YPLRZSNWFGAHPM-UHFFFAOYSA-N 1 1 292.379 3.136 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000181256651 392725181 /nfs/dbraw/zinc/72/51/81/392725181.db2.gz NYDADXUYOMGFKV-OAHLLOKOSA-N 1 1 294.464 3.459 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1coc(-c2cccc(F)c2)n1 ZINC000181271997 392725883 /nfs/dbraw/zinc/72/58/83/392725883.db2.gz ZHIJYPSJGCZYIK-UHFFFAOYSA-N 1 1 260.312 3.489 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1coc(-c2cccc(F)c2)n1 ZINC000181271997 392725889 /nfs/dbraw/zinc/72/58/89/392725889.db2.gz ZHIJYPSJGCZYIK-UHFFFAOYSA-N 1 1 260.312 3.489 20 30 CGEDMO COCC[C@@H]1CCCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000375098447 392738461 /nfs/dbraw/zinc/73/84/61/392738461.db2.gz YCMKLQREHPPVHK-AWEZNQCLSA-N 1 1 290.382 3.336 20 30 CGEDMO C=CC[C@@H]1[N@H+](Cc2ccc(N)nc2)CCCC1(C)C ZINC000647538993 392757859 /nfs/dbraw/zinc/75/78/59/392757859.db2.gz QUDRYGOKJOPTIE-AWEZNQCLSA-N 1 1 259.397 3.061 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000505868182 392703249 /nfs/dbraw/zinc/70/32/49/392703249.db2.gz GHTBWWRNRDSXJB-INIZCTEOSA-N 1 1 292.382 3.459 20 30 CGEDMO C[C@H](C#N)C[N@@H+](CCCCOc1ccccc1)C1CC1 ZINC000338362041 392912385 /nfs/dbraw/zinc/91/23/85/392912385.db2.gz VVTRWOUODUQWSM-OAHLLOKOSA-N 1 1 272.392 3.470 20 30 CGEDMO Cc1ccc([C@@H](C)[N@@H+](C)CCOCCC#N)c(C)c1 ZINC000338923639 392936763 /nfs/dbraw/zinc/93/67/63/392936763.db2.gz DUYVWLZFOGQZHV-OAHLLOKOSA-N 1 1 260.381 3.227 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc(CC)c1 ZINC000489446810 542715272 /nfs/dbraw/zinc/71/52/72/542715272.db2.gz OMHXBKSXLIWBMG-INIZCTEOSA-N 1 1 272.392 3.228 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(CC)c1 ZINC000489446810 542715275 /nfs/dbraw/zinc/71/52/75/542715275.db2.gz OMHXBKSXLIWBMG-INIZCTEOSA-N 1 1 272.392 3.228 20 30 CGEDMO COc1c(C)cc(C[N@@H+](C)[C@H]2CC[C@@H](C#N)C2)cc1C ZINC000338956310 392938051 /nfs/dbraw/zinc/93/80/51/392938051.db2.gz WVOXANDLWJRZQS-ZBFHGGJFSA-N 1 1 272.392 3.436 20 30 CGEDMO C=CCOCC[N@@H+]1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000339002842 392939266 /nfs/dbraw/zinc/93/92/66/392939266.db2.gz LQTYGZTXYCRNHF-HOCLYGCPSA-N 1 1 277.433 3.368 20 30 CGEDMO CC#CCN(CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000525633950 392940405 /nfs/dbraw/zinc/94/04/05/392940405.db2.gz NJDRGSVAWWKJEF-FUHWJXTLSA-N 1 1 270.420 3.167 20 30 CGEDMO CC#CCN(CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000525633949 392941489 /nfs/dbraw/zinc/94/14/89/392941489.db2.gz NJDRGSVAWWKJEF-AEFFLSMTSA-N 1 1 270.420 3.167 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)Cc1csc(C(C)C)n1 ZINC000411643175 392983431 /nfs/dbraw/zinc/98/34/31/392983431.db2.gz OTFIXSXZIGXYDY-UHFFFAOYSA-N 1 1 281.469 3.206 20 30 CGEDMO CCn1nccc1C[N@H+](C)CCC1(C#N)CCCCC1 ZINC000411638231 392983892 /nfs/dbraw/zinc/98/38/92/392983892.db2.gz BOGZKHWKOQNKRX-UHFFFAOYSA-N 1 1 274.412 3.199 20 30 CGEDMO CCn1nccc1C[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000411638231 392983900 /nfs/dbraw/zinc/98/39/00/392983900.db2.gz BOGZKHWKOQNKRX-UHFFFAOYSA-N 1 1 274.412 3.199 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000411978118 392993301 /nfs/dbraw/zinc/99/33/01/392993301.db2.gz GUPDITVTUDYCLM-KRWDZBQOSA-N 1 1 271.360 3.063 20 30 CGEDMO C=CCc1cc(C[N@H+]2CC[C@@H]2C(C)C)cc(OC)c1O ZINC000342847146 393011378 /nfs/dbraw/zinc/01/13/78/393011378.db2.gz AZWAPOJERUAOIG-OAHLLOKOSA-N 1 1 275.392 3.360 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@H](C)C(C)(C)C2)cc1C#N ZINC000546125481 393033583 /nfs/dbraw/zinc/03/35/83/393033583.db2.gz JWILHOMAFXOHLW-ZDUSSCGKSA-N 1 1 272.392 3.435 20 30 CGEDMO C=CCOc1ccccc1C[N@H+](C)[C@@H](C)CC(=O)OCC ZINC000346339332 393084018 /nfs/dbraw/zinc/08/40/18/393084018.db2.gz SCGFXUROQXDGDN-AWEZNQCLSA-N 1 1 291.391 3.025 20 30 CGEDMO CC[C@@H](c1ccccc1OC)[N@H+](C)CC1(C#N)CC1 ZINC000347561181 393107014 /nfs/dbraw/zinc/10/70/14/393107014.db2.gz MRZLUTIVBBZLMZ-AWEZNQCLSA-N 1 1 258.365 3.382 20 30 CGEDMO CC[C@@H](c1ccccc1OC)[N@@H+](C)CC1(C#N)CC1 ZINC000347561181 393107022 /nfs/dbraw/zinc/10/70/22/393107022.db2.gz MRZLUTIVBBZLMZ-AWEZNQCLSA-N 1 1 258.365 3.382 20 30 CGEDMO CC(C)(C#N)CC[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000345717940 393065127 /nfs/dbraw/zinc/06/51/27/393065127.db2.gz UXMCXWOMNZACJS-UHFFFAOYSA-N 1 1 294.402 3.170 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000345717940 393065134 /nfs/dbraw/zinc/06/51/34/393065134.db2.gz UXMCXWOMNZACJS-UHFFFAOYSA-N 1 1 294.402 3.170 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](CC)C[C@@H](C)O)cc1Cl ZINC000348713376 393129199 /nfs/dbraw/zinc/12/91/99/393129199.db2.gz KRNVZIQTXWMHBI-GFCCVEGCSA-N 1 1 283.799 3.108 20 30 CGEDMO CC[N@H+](CCCN1CCCC1)CC(C)(C)CCC#N ZINC000349407302 393146673 /nfs/dbraw/zinc/14/66/73/393146673.db2.gz NIULMKZCAAKUFX-UHFFFAOYSA-N 1 1 265.445 3.124 20 30 CGEDMO CC[N@@H+](CCCN1CCCC1)CC(C)(C)CCC#N ZINC000349407302 393146682 /nfs/dbraw/zinc/14/66/82/393146682.db2.gz NIULMKZCAAKUFX-UHFFFAOYSA-N 1 1 265.445 3.124 20 30 CGEDMO C[C@@H](c1ccco1)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000264588922 393160390 /nfs/dbraw/zinc/16/03/90/393160390.db2.gz YGSBSXQDUDJJKM-ZDUSSCGKSA-N 1 1 270.332 3.375 20 30 CGEDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1Cc1ccccc1C(C)(C)C#N ZINC000351942642 393197106 /nfs/dbraw/zinc/19/71/06/393197106.db2.gz BHRKYGFAZZPYFS-HUUCEWRRSA-N 1 1 285.435 3.012 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)[C@H](C)CN1C ZINC000351942642 393197112 /nfs/dbraw/zinc/19/71/12/393197112.db2.gz BHRKYGFAZZPYFS-HUUCEWRRSA-N 1 1 285.435 3.012 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@H](C)CN1C ZINC000351942642 393197119 /nfs/dbraw/zinc/19/71/19/393197119.db2.gz BHRKYGFAZZPYFS-HUUCEWRRSA-N 1 1 285.435 3.012 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(Cc2ccccc2C#N)C1 ZINC000352311145 393202245 /nfs/dbraw/zinc/20/22/45/393202245.db2.gz RXQJZAIDFBEWAI-FCEWJHQRSA-N 1 1 297.446 3.395 20 30 CGEDMO C[C@H]1CCSCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000279314833 393332626 /nfs/dbraw/zinc/33/26/26/393332626.db2.gz RQCDMRFXXVSKMF-NSHDSACASA-N 1 1 264.369 3.025 20 30 CGEDMO C[C@H]1CCSCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000279314833 393332635 /nfs/dbraw/zinc/33/26/35/393332635.db2.gz RQCDMRFXXVSKMF-NSHDSACASA-N 1 1 264.369 3.025 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CCCC1 ZINC000649243145 393384609 /nfs/dbraw/zinc/38/46/09/393384609.db2.gz JFRFQYXWOUZSPT-KRWDZBQOSA-N 1 1 298.430 3.426 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CCCC1 ZINC000649243145 393384612 /nfs/dbraw/zinc/38/46/12/393384612.db2.gz JFRFQYXWOUZSPT-KRWDZBQOSA-N 1 1 298.430 3.426 20 30 CGEDMO C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000488316571 393485500 /nfs/dbraw/zinc/48/55/00/393485500.db2.gz GJYVFAZCPNEWAX-SIXLDLHFSA-N 1 1 254.377 3.414 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@@H]1CC[C@@H](C)C1 ZINC000429594565 393491174 /nfs/dbraw/zinc/49/11/74/393491174.db2.gz YHLLETDLWDFMID-IUODEOHRSA-N 1 1 258.365 3.187 20 30 CGEDMO CN(CC[N@@H+](C)Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000429708151 393495562 /nfs/dbraw/zinc/49/55/62/393495562.db2.gz LAAODSYHORAYNN-UHFFFAOYSA-N 1 1 293.414 3.122 20 30 CGEDMO CN(CC[N@H+](C)Cc1ccc(C#N)cc1)Cc1ccccc1 ZINC000429708151 393495566 /nfs/dbraw/zinc/49/55/66/393495566.db2.gz LAAODSYHORAYNN-UHFFFAOYSA-N 1 1 293.414 3.122 20 30 CGEDMO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1)Cc1ccccc1 ZINC000429708151 393495577 /nfs/dbraw/zinc/49/55/77/393495577.db2.gz LAAODSYHORAYNN-UHFFFAOYSA-N 1 1 293.414 3.122 20 30 CGEDMO CCCN1CCC([N@H+](C)Cc2ccc(C#N)c(C)c2)CC1 ZINC000488453939 393521241 /nfs/dbraw/zinc/52/12/41/393521241.db2.gz XMLRYEBVPULGDR-UHFFFAOYSA-N 1 1 285.435 3.173 20 30 CGEDMO CCCN1CCC([N@@H+](C)Cc2ccc(C#N)c(C)c2)CC1 ZINC000488453939 393521247 /nfs/dbraw/zinc/52/12/47/393521247.db2.gz XMLRYEBVPULGDR-UHFFFAOYSA-N 1 1 285.435 3.173 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000649663480 393531666 /nfs/dbraw/zinc/53/16/66/393531666.db2.gz HOHIWAAVNJAMGE-DLBZAZTESA-N 1 1 277.383 3.116 20 30 CGEDMO CSC[C@@H]1CCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000430196339 393536252 /nfs/dbraw/zinc/53/62/52/393536252.db2.gz LWMOMGWCJLJNAX-LLVKDONJSA-N 1 1 266.435 3.195 20 30 CGEDMO N#Cc1ccc(Br)c(C[N@@H+]2CCC23CCC3)c1 ZINC000492487446 393743143 /nfs/dbraw/zinc/74/31/43/393743143.db2.gz RJXVBOCPOPWCGD-UHFFFAOYSA-N 1 1 291.192 3.449 20 30 CGEDMO N#Cc1ccc(Br)c(C[N@H+]2CCC23CCC3)c1 ZINC000492487446 393743146 /nfs/dbraw/zinc/74/31/46/393743146.db2.gz RJXVBOCPOPWCGD-UHFFFAOYSA-N 1 1 291.192 3.449 20 30 CGEDMO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@H]1CCSC1 ZINC000494948779 393777082 /nfs/dbraw/zinc/77/70/82/393777082.db2.gz CQDCCRLYTONOIW-MRXNPFEDSA-N 1 1 272.417 3.299 20 30 CGEDMO CC1(C)CCC[N@@H+](CCNc2ncc(C#N)cc2Cl)C1 ZINC000443956134 393778653 /nfs/dbraw/zinc/77/86/53/393778653.db2.gz CSOBYEZAXKRNPC-UHFFFAOYSA-N 1 1 292.814 3.141 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CCOCC12CCCCC2 ZINC000449624509 393925652 /nfs/dbraw/zinc/92/56/52/393925652.db2.gz OOFQETMTEBSRBW-UHFFFAOYSA-N 1 1 270.376 3.093 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCOCC12CCCCC2 ZINC000449624509 393925655 /nfs/dbraw/zinc/92/56/55/393925655.db2.gz OOFQETMTEBSRBW-UHFFFAOYSA-N 1 1 270.376 3.093 20 30 CGEDMO Cc1cc(C[N@H+]2CCOCC23CCCCC3)ccc1C#N ZINC000449626550 393926212 /nfs/dbraw/zinc/92/62/12/393926212.db2.gz XDODQNVBSAZWRY-UHFFFAOYSA-N 1 1 284.403 3.402 20 30 CGEDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(C#N)cs2)C12CCC2 ZINC000449627820 393926736 /nfs/dbraw/zinc/92/67/36/393926736.db2.gz AUTPICMDGZSDLG-KGLIPLIRSA-N 1 1 276.405 3.009 20 30 CGEDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2F)C12CCC2 ZINC000449635182 393930876 /nfs/dbraw/zinc/93/08/76/393930876.db2.gz TTWNWPWIJCHZIR-CVEARBPZSA-N 1 1 288.366 3.087 20 30 CGEDMO C=CCCCCC[N@@H+]1CCN(C2CC2)C[C@H](C)C1 ZINC000451095745 394041533 /nfs/dbraw/zinc/04/15/33/394041533.db2.gz UREFBGNGVUALIO-OAHLLOKOSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451699371 394047056 /nfs/dbraw/zinc/04/70/56/394047056.db2.gz LBYDPHLSMUPBKY-OWCLPIDISA-N 1 1 251.414 3.216 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)Cc1cnc2n1CCC2 ZINC000667557369 542888825 /nfs/dbraw/zinc/88/88/25/542888825.db2.gz UKCCTSZFWRVEPS-UHFFFAOYSA-N 1 1 281.403 3.060 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000668493770 543021076 /nfs/dbraw/zinc/02/10/76/543021076.db2.gz RHJJKAVYHZBTJA-HNNXBMFYSA-N 1 1 272.392 3.433 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+](C)CC1=CCSC1 ZINC000668776090 543060559 /nfs/dbraw/zinc/06/05/59/543060559.db2.gz XZCXGQUBNNXMGA-UHFFFAOYSA-N 1 1 275.417 3.356 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+](C)C(C)(C)c1ccccc1 ZINC000671246868 543165571 /nfs/dbraw/zinc/16/55/71/543165571.db2.gz QNAMSYPNKRHYSD-UHFFFAOYSA-N 1 1 286.419 3.054 20 30 CGEDMO C=CCC[C@H]([NH2+]Cc1cc(C)ncn1)c1ccco1 ZINC000671754270 543186614 /nfs/dbraw/zinc/18/66/14/543186614.db2.gz OAHYUDUFDOMAOG-AWEZNQCLSA-N 1 1 257.337 3.175 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H]2C2CC2)c1C ZINC000674052750 543265303 /nfs/dbraw/zinc/26/53/03/543265303.db2.gz VTGBSOAAOMMUQV-KRWDZBQOSA-N 1 1 286.419 3.348 20 30 CGEDMO CC[N@@H+](CC#Cc1ccc(Cl)cc1)C[C@@H]1CCOC1 ZINC000674250785 543277235 /nfs/dbraw/zinc/27/72/35/543277235.db2.gz GICDGFMCPDDPDQ-HNNXBMFYSA-N 1 1 277.795 3.050 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C1CC1)C1CCCCC1 ZINC000047903959 397635225 /nfs/dbraw/zinc/63/52/25/397635225.db2.gz MBLKKRKADIYAMC-UHFFFAOYSA-N 1 1 278.440 3.208 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000649917042 397753520 /nfs/dbraw/zinc/75/35/20/397753520.db2.gz XMNCKSCXDVSNLC-BZSNNMDCSA-N 1 1 269.388 3.394 20 30 CGEDMO CCC#C[C@@H](C)[N@@H+](C)CCCc1ccc(OC)cc1 ZINC000677048180 543427944 /nfs/dbraw/zinc/42/79/44/543427944.db2.gz ORALRCPDNMNOJB-OAHLLOKOSA-N 1 1 259.393 3.362 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+](CC)Cc1ccc(Cl)cc1 ZINC000678049513 543479252 /nfs/dbraw/zinc/47/92/52/543479252.db2.gz LEHAJNRRMFTWMW-AWEZNQCLSA-N 1 1 253.773 3.099 20 30 CGEDMO CC(C)[C@@H]1CCC[N@H+]1CCOc1ccccc1C#N ZINC000063619216 165031973 /nfs/dbraw/zinc/03/19/73/165031973.db2.gz NWTYCQWCIYCPOD-HNNXBMFYSA-N 1 1 258.365 3.057 20 30 CGEDMO C[C@H]1CCC[N@@H+](CCOc2ccc(C#N)cc2)CC1 ZINC000070158213 165058278 /nfs/dbraw/zinc/05/82/78/165058278.db2.gz NKRAAHRCURJNFC-AWEZNQCLSA-N 1 1 258.365 3.059 20 30 CGEDMO C[C@H]1C[C@H](Nc2ccc(C#N)c(Cl)c2)CC[N@H+]1C ZINC000090795121 165243304 /nfs/dbraw/zinc/24/33/04/165243304.db2.gz QUKCIGFUAVGANC-GXFFZTMASA-N 1 1 263.772 3.106 20 30 CGEDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000124219215 287101034 /nfs/dbraw/zinc/10/10/34/287101034.db2.gz ALFZFJVTYZHXFC-PBHICJAKSA-N 1 1 272.392 3.074 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000335241961 287141725 /nfs/dbraw/zinc/14/17/25/287141725.db2.gz UDIUWQUQLYBGAX-WMLDXEAASA-N 1 1 270.376 3.122 20 30 CGEDMO N#Cc1ccc(Cl)cc1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252661364 165804987 /nfs/dbraw/zinc/80/49/87/165804987.db2.gz IWJCMYVZVYKYLT-KBPBESRZSA-N 1 1 275.783 3.250 20 30 CGEDMO CC(C)N1CCC([NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000020189081 171054528 /nfs/dbraw/zinc/05/45/28/171054528.db2.gz YYRLRTHXUAXLCP-AWEZNQCLSA-N 1 1 271.408 3.082 20 30 CGEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)C2CC2)o1 ZINC000130145896 287345867 /nfs/dbraw/zinc/34/58/67/287345867.db2.gz SREZWUZONCWPFG-UHFFFAOYSA-N 1 1 270.307 3.455 20 30 CGEDMO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)C2CC2)o1 ZINC000130145896 287345868 /nfs/dbraw/zinc/34/58/68/287345868.db2.gz SREZWUZONCWPFG-UHFFFAOYSA-N 1 1 270.307 3.455 20 30 CGEDMO CCC#C[C@H](C)[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000681467112 543789227 /nfs/dbraw/zinc/78/92/27/543789227.db2.gz CONPCLPNSJDWIT-GUYCJALGSA-N 1 1 285.366 3.040 20 30 CGEDMO C=CC[C@@H]1[N@H+](CCCN2CCCC2=O)CCCC1(C)C ZINC000683528253 543921134 /nfs/dbraw/zinc/92/11/34/543921134.db2.gz HOZCSAPWMYXXHF-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+](CC)Cc1ccccc1Br ZINC000685006934 544051557 /nfs/dbraw/zinc/05/15/57/544051557.db2.gz IDOBVNRMOCLYEU-AWEZNQCLSA-N 1 1 298.224 3.208 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+](CC)Cc1ccccc1Br ZINC000685006934 544051558 /nfs/dbraw/zinc/05/15/58/544051558.db2.gz IDOBVNRMOCLYEU-AWEZNQCLSA-N 1 1 298.224 3.208 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CCCC1 ZINC000654315589 418959876 /nfs/dbraw/zinc/95/98/76/418959876.db2.gz SXIIDOGELSRDAV-HZPDHXFCSA-N 1 1 290.451 3.256 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)[C@H](C)c1nnc(CC)[nH]1 ZINC000659857868 419017080 /nfs/dbraw/zinc/01/70/80/419017080.db2.gz ULECJFNIMXEDFP-CQSZACIVSA-N 1 1 284.407 3.159 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)[C@H](C)c1nnc(CC)[nH]1 ZINC000659857868 419017082 /nfs/dbraw/zinc/01/70/82/419017082.db2.gz ULECJFNIMXEDFP-CQSZACIVSA-N 1 1 284.407 3.159 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@@H](c2ccccc2)C(C)C)nn1 ZINC000653486139 419036700 /nfs/dbraw/zinc/03/67/00/419036700.db2.gz NETLRFXMYJYTIT-QGZVFWFLSA-N 1 1 284.407 3.341 20 30 CGEDMO C=CCCn1cc(C[N@H+]2CCC[C@@H]2c2cccc(C)c2)nn1 ZINC000653503291 419039912 /nfs/dbraw/zinc/03/99/12/419039912.db2.gz AALSFBSSANUPMH-GOSISDBHSA-N 1 1 296.418 3.500 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CCC[C@@H]2c2cccc(C)c2)nn1 ZINC000653503291 419039916 /nfs/dbraw/zinc/03/99/16/419039916.db2.gz AALSFBSSANUPMH-GOSISDBHSA-N 1 1 296.418 3.500 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CC[C@H](c3ccccc3C)C2)nn1 ZINC000653534040 419044348 /nfs/dbraw/zinc/04/43/48/419044348.db2.gz VXLJIWBXIPRYCW-INIZCTEOSA-N 1 1 296.418 3.152 20 30 CGEDMO C=CCCn1cc(C[N@H+]2CCc3ccccc3[C@@H](C)C2)nn1 ZINC000653779386 419084916 /nfs/dbraw/zinc/08/49/16/419084916.db2.gz ZGUDQTZZGXCMBU-HNNXBMFYSA-N 1 1 296.418 3.016 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CC[C@H](c3ccccc3)[C@@H]2C)nn1 ZINC000653567500 419051021 /nfs/dbraw/zinc/05/10/21/419051021.db2.gz LPGSIPWHSWLYLR-YJBOKZPZSA-N 1 1 296.418 3.232 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CC[C@@H](c3ccccc3)[C@H]2C)nn1 ZINC000653567497 419051575 /nfs/dbraw/zinc/05/15/75/419051575.db2.gz LPGSIPWHSWLYLR-CRAIPNDOSA-N 1 1 296.418 3.232 20 30 CGEDMO C=CC[N@@H+](CCOC)Cc1cc(F)ccc1OC(F)F ZINC000660403788 419137058 /nfs/dbraw/zinc/13/70/58/419137058.db2.gz SDMNJGQEUVGKQI-UHFFFAOYSA-N 1 1 289.297 3.062 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cc(F)ccc1OC(F)F ZINC000660403788 419137062 /nfs/dbraw/zinc/13/70/62/419137062.db2.gz SDMNJGQEUVGKQI-UHFFFAOYSA-N 1 1 289.297 3.062 20 30 CGEDMO C=CCC[N@H+](C)Cc1cn(-c2ccc(C)cc2)nc1C ZINC000656258054 419159986 /nfs/dbraw/zinc/15/99/86/419159986.db2.gz PGKWCZSWLXBQCE-UHFFFAOYSA-N 1 1 269.392 3.497 20 30 CGEDMO C=CC[N@H+](Cc1cc(-c2ccccc2)on1)[C@@H](C)COC ZINC000661246205 419244326 /nfs/dbraw/zinc/24/43/26/419244326.db2.gz GKXYDCPKUHBHGQ-AWEZNQCLSA-N 1 1 286.375 3.365 20 30 CGEDMO C=CC[N@@H+](Cc1cc(-c2ccccc2)on1)[C@@H](C)COC ZINC000661246205 419244330 /nfs/dbraw/zinc/24/43/30/419244330.db2.gz GKXYDCPKUHBHGQ-AWEZNQCLSA-N 1 1 286.375 3.365 20 30 CGEDMO C=CC[N@H+](Cc1cnc(-c2ccccc2)nc1)[C@H](C)COC ZINC000661242897 419244454 /nfs/dbraw/zinc/24/44/54/419244454.db2.gz VGPHRRMQRWGUKE-OAHLLOKOSA-N 1 1 297.402 3.167 20 30 CGEDMO C=CC[N@@H+](Cc1cnc(-c2ccccc2)nc1)[C@H](C)COC ZINC000661242897 419244456 /nfs/dbraw/zinc/24/44/56/419244456.db2.gz VGPHRRMQRWGUKE-OAHLLOKOSA-N 1 1 297.402 3.167 20 30 CGEDMO C=CCCn1cc(C[NH2+]Cc2csc3ccccc23)nn1 ZINC000657312329 419248462 /nfs/dbraw/zinc/24/84/62/419248462.db2.gz GHJHAXMQEZLWKX-UHFFFAOYSA-N 1 1 298.415 3.359 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2ncnn2-c2ccccc2)C1 ZINC000661386879 419257185 /nfs/dbraw/zinc/25/71/85/419257185.db2.gz VOQSHGLTGZCEEF-HNNXBMFYSA-N 1 1 282.391 3.055 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2ncnn2-c2ccccc2)C1 ZINC000661386879 419257188 /nfs/dbraw/zinc/25/71/88/419257188.db2.gz VOQSHGLTGZCEEF-HNNXBMFYSA-N 1 1 282.391 3.055 20 30 CGEDMO C=CCOCC[N@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661433412 419259014 /nfs/dbraw/zinc/25/90/14/419259014.db2.gz GGHUXSKJVPPVGC-HNNXBMFYSA-N 1 1 261.365 3.399 20 30 CGEDMO C=CCCn1cc(C[NH2+]Cc2ccc3sccc3c2)nn1 ZINC000657469103 419285976 /nfs/dbraw/zinc/28/59/76/419285976.db2.gz SYFWBNMSVKYPGH-UHFFFAOYSA-N 1 1 298.415 3.359 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1cccc(C)c1)C(C)(C)C ZINC000661754935 419295278 /nfs/dbraw/zinc/29/52/78/419295278.db2.gz HRDXCKQBOXXCKR-UHFFFAOYSA-N 1 1 260.381 3.220 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000662080660 419333676 /nfs/dbraw/zinc/33/36/76/419333676.db2.gz LEERWADRQWEXJS-ZOFXXKQRSA-N 1 1 290.451 3.062 20 30 CGEDMO C=CCCCN1CC[N@H+](CCCC=C)[C@H](C)[C@@H]1C ZINC000662225234 419366173 /nfs/dbraw/zinc/36/61/73/419366173.db2.gz KKWSNPLLFXAERV-IYBDPMFKSA-N 1 1 250.430 3.313 20 30 CGEDMO C=CCCCN1CC[N@@H+](CCCC=C)[C@@H](C)[C@H]1C ZINC000662225234 419366179 /nfs/dbraw/zinc/36/61/79/419366179.db2.gz KKWSNPLLFXAERV-IYBDPMFKSA-N 1 1 250.430 3.313 20 30 CGEDMO C=CCCCN1CC[N@H+](CCCC=C)[C@@H](C)[C@H]1C ZINC000662225234 419366182 /nfs/dbraw/zinc/36/61/82/419366182.db2.gz KKWSNPLLFXAERV-IYBDPMFKSA-N 1 1 250.430 3.313 20 30 CGEDMO C=CCC1(NC(=O)NCC[N@H+](C)C2CCCC2)CCCC1 ZINC000664007439 419794858 /nfs/dbraw/zinc/79/48/58/419794858.db2.gz QWKDUEROWYKYPV-UHFFFAOYSA-N 1 1 293.455 3.049 20 30 CGEDMO C=CCCC[N@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000117877294 260117074 /nfs/dbraw/zinc/11/70/74/260117074.db2.gz LQVUZOCLIJFMAK-UHFFFAOYSA-N 1 1 288.391 3.159 20 30 CGEDMO C=CC[NH+](CC=C)[C@@H](C)c1cc(C(=O)OC)c(C)o1 ZINC000297981455 260139981 /nfs/dbraw/zinc/13/99/81/260139981.db2.gz WDEVBMVVCLPVNF-NSHDSACASA-N 1 1 263.337 3.110 20 30 CGEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000299616915 260189544 /nfs/dbraw/zinc/18/95/44/260189544.db2.gz ITYTYSMOKFHQRG-ZDUSSCGKSA-N 1 1 290.432 3.245 20 30 CGEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000299616915 260189545 /nfs/dbraw/zinc/18/95/45/260189545.db2.gz ITYTYSMOKFHQRG-ZDUSSCGKSA-N 1 1 290.432 3.245 20 30 CGEDMO C#CCN(CC)C(=O)c1ccc(C[N@H+](CC)CCC)cc1 ZINC000299663772 260189872 /nfs/dbraw/zinc/18/98/72/260189872.db2.gz NNNZYBKJGSPGIC-UHFFFAOYSA-N 1 1 286.419 3.014 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000363472105 260312947 /nfs/dbraw/zinc/31/29/47/260312947.db2.gz QDJQTMAFOAKBRO-OAHLLOKOSA-N 1 1 258.365 3.469 20 30 CGEDMO C=CCC[C@H](NC(=O)[C@@H](C)[NH+]1CC(C)C1)c1ccccc1 ZINC000518212154 260356806 /nfs/dbraw/zinc/35/68/06/260356806.db2.gz CVCHQFXAZIPPPK-WBVHZDCISA-N 1 1 286.419 3.150 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000153056299 260684290 /nfs/dbraw/zinc/68/42/90/260684290.db2.gz PNAVAZZYYKEMFV-SJLPKXTDSA-N 1 1 298.430 3.489 20 30 CGEDMO CC[N@@H+](Cc1ccc(N(C)CCC#N)cc1)C(C)C ZINC000126376888 260777743 /nfs/dbraw/zinc/77/77/43/260777743.db2.gz LKLINIBILANTSG-UHFFFAOYSA-N 1 1 259.397 3.267 20 30 CGEDMO C[N@@H+](CCCC#N)Cc1cccc(OC(F)(F)F)c1 ZINC000127556399 260801098 /nfs/dbraw/zinc/80/10/98/260801098.db2.gz SAGMTPOXFRESBG-UHFFFAOYSA-N 1 1 272.270 3.321 20 30 CGEDMO CN(CC[N@@H+](C)CCCC(C)(C)C#N)c1ccccc1 ZINC000174853136 261200335 /nfs/dbraw/zinc/20/03/35/261200335.db2.gz WOHLIXOXSPUQRF-UHFFFAOYSA-N 1 1 273.424 3.385 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](CCCC(C)(C)C#N)CCS1 ZINC000174880504 261201246 /nfs/dbraw/zinc/20/12/46/261201246.db2.gz CRICQUUHGUFUDG-CYBMUJFWSA-N 1 1 254.443 3.390 20 30 CGEDMO C[N@@H+](CCCCC#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000174949624 261204395 /nfs/dbraw/zinc/20/43/95/261204395.db2.gz KAAGPFIXVJQOLM-SFHVURJKSA-N 1 1 285.435 3.277 20 30 CGEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C(C)C)C1CCCCC1 ZINC000102768597 261269596 /nfs/dbraw/zinc/26/95/96/261269596.db2.gz JROBWRCMNCOTQI-HNNXBMFYSA-N 1 1 293.455 3.038 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000184080564 262007214 /nfs/dbraw/zinc/00/72/14/262007214.db2.gz UEDXIHUJOBYOCY-JTQLQIEISA-N 1 1 272.270 3.209 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1c[nH]nc1-c1cccc(C)c1 ZINC000184086290 262007763 /nfs/dbraw/zinc/00/77/63/262007763.db2.gz MYWUCQQTDMXUBT-HNNXBMFYSA-N 1 1 268.364 3.167 20 30 CGEDMO CC(C)(C)OCc1cc(C[NH2+][C@H]2CCC[C@H](C#N)C2)no1 ZINC000193309998 262220485 /nfs/dbraw/zinc/22/04/85/262220485.db2.gz PLDLGRBYFDNJOF-STQMWFEESA-N 1 1 291.395 3.162 20 30 CGEDMO C=CCC[C@H]([NH2+]Cc1nnc(CC)[nH]1)c1ccccc1 ZINC000160474879 262273686 /nfs/dbraw/zinc/27/36/86/262273686.db2.gz VERAZHBOAGTBMJ-AWEZNQCLSA-N 1 1 270.380 3.164 20 30 CGEDMO CC(C)(C#N)CC[N@@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000119980138 262275327 /nfs/dbraw/zinc/27/53/27/262275327.db2.gz ZMPNXKVGIRZHPW-QGZVFWFLSA-N 1 1 272.392 3.174 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000119980138 262275328 /nfs/dbraw/zinc/27/53/28/262275328.db2.gz ZMPNXKVGIRZHPW-QGZVFWFLSA-N 1 1 272.392 3.174 20 30 CGEDMO C[C@H]1CC[C@](CO)([N@@H+](C)CC#Cc2ccccc2Cl)C1 ZINC000495203096 262275418 /nfs/dbraw/zinc/27/54/18/262275418.db2.gz QFFIPQQJLPIRQW-YOEHRIQHSA-N 1 1 291.822 3.174 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000365490686 262367496 /nfs/dbraw/zinc/36/74/96/262367496.db2.gz MXUFCFKTQJCNOB-HNNXBMFYSA-N 1 1 261.413 3.031 20 30 CGEDMO Cn1ccnc1[C@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000365630751 262376725 /nfs/dbraw/zinc/37/67/25/262376725.db2.gz PKOPXBNUQRCWCT-HNNXBMFYSA-N 1 1 288.439 3.320 20 30 CGEDMO C=CCOCC[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000339011051 262581913 /nfs/dbraw/zinc/58/19/13/262581913.db2.gz PMRCBMGJYHZGSP-AWEZNQCLSA-N 1 1 251.757 3.289 20 30 CGEDMO C=CCOCC[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000339011051 262581914 /nfs/dbraw/zinc/58/19/14/262581914.db2.gz PMRCBMGJYHZGSP-AWEZNQCLSA-N 1 1 251.757 3.289 20 30 CGEDMO N#CC1(CC[N@H+]2CCO[C@H](C3CCC3)C2)CCCCC1 ZINC000411839211 262707563 /nfs/dbraw/zinc/70/75/63/262707563.db2.gz CUNPBOJDHLDXMN-INIZCTEOSA-N 1 1 276.424 3.351 20 30 CGEDMO N#CCSCCC[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000272477239 263004977 /nfs/dbraw/zinc/00/49/77/263004977.db2.gz AQCYKZHVQLMIIN-OAHLLOKOSA-N 1 1 290.432 3.034 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCC[C@@H]1CCC(=O)NC ZINC000353183167 263031342 /nfs/dbraw/zinc/03/13/42/263031342.db2.gz ORXPDGGPQZQFEA-OAHLLOKOSA-N 1 1 266.429 3.114 20 30 CGEDMO COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCCC#N ZINC000278974017 263052334 /nfs/dbraw/zinc/05/23/34/263052334.db2.gz QJSKPFINSATCBQ-AWEZNQCLSA-N 1 1 266.772 3.263 20 30 CGEDMO C=C[C@H](CC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000340117791 263073074 /nfs/dbraw/zinc/07/30/74/263073074.db2.gz GLXKVNRWTIOIOW-KBAYOESNSA-N 1 1 298.430 3.089 20 30 CGEDMO C[N@@H+](CCCC1(C#N)CCOCC1)Cc1cccc(C#N)c1 ZINC000282127466 263074489 /nfs/dbraw/zinc/07/44/89/263074489.db2.gz YJFXZEVGARKCMM-UHFFFAOYSA-N 1 1 297.402 3.091 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000290222578 263115590 /nfs/dbraw/zinc/11/55/90/263115590.db2.gz RYSLAXXYWAMQNR-UHFFFAOYSA-N 1 1 286.375 3.190 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)C1 ZINC000292716117 263134330 /nfs/dbraw/zinc/13/43/30/263134330.db2.gz AEUPCRYIQGHACV-MGPQQGTHSA-N 1 1 290.794 3.485 20 30 CGEDMO C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCOCCC#N)C1 ZINC000292837211 263135534 /nfs/dbraw/zinc/13/55/34/263135534.db2.gz PFEMHCJGZPPCCA-XJKSGUPXSA-N 1 1 276.355 3.139 20 30 CGEDMO C[N@@H+](Cc1ccccc1N1CCCC1)[C@H]1CC[C@@H](C#N)C1 ZINC000293355156 263139370 /nfs/dbraw/zinc/13/93/70/263139370.db2.gz DVQKUPMPJHUIGW-WBVHZDCISA-N 1 1 283.419 3.411 20 30 CGEDMO C=CC[N@@H+](CCOCCC#N)Cc1ccc(Cl)s1 ZINC000293555321 263143143 /nfs/dbraw/zinc/14/31/43/263143143.db2.gz RNQYCDMZZYAZPJ-UHFFFAOYSA-N 1 1 284.812 3.320 20 30 CGEDMO C=CC[N@H+](CCOCCC#N)Cc1ccc(Cl)s1 ZINC000293555321 263143144 /nfs/dbraw/zinc/14/31/44/263143144.db2.gz RNQYCDMZZYAZPJ-UHFFFAOYSA-N 1 1 284.812 3.320 20 30 CGEDMO N#CCCOCC[N@H+](Cc1ccccc1)CC1CCC1 ZINC000293661817 263146557 /nfs/dbraw/zinc/14/65/57/263146557.db2.gz YSSYPKCKBRLLST-UHFFFAOYSA-N 1 1 272.392 3.219 20 30 CGEDMO Cc1cc(C)c2c(c1)C[N@@H+]([C@H]1CC[C@H](C#N)C1)CC2 ZINC000294574551 263163836 /nfs/dbraw/zinc/16/38/36/263163836.db2.gz MGXDOTDTFRGQKI-HOCLYGCPSA-N 1 1 254.377 3.354 20 30 CGEDMO Cn1ccnc1[C@H]1[N@H+](CC(C)(C)CCC#N)CC1(C)C ZINC000294725380 263166587 /nfs/dbraw/zinc/16/65/87/263166587.db2.gz FUNOAVUCIYWGRN-CYBMUJFWSA-N 1 1 274.412 3.133 20 30 CGEDMO Cn1ccnc1[C@H]1[N@@H+](CC(C)(C)CCC#N)CC1(C)C ZINC000294725380 263166590 /nfs/dbraw/zinc/16/65/90/263166590.db2.gz FUNOAVUCIYWGRN-CYBMUJFWSA-N 1 1 274.412 3.133 20 30 CGEDMO C[C@H](CC#N)[N@H+](C)C[C@@H](C)c1cc(F)cc(F)c1 ZINC000294779030 263167323 /nfs/dbraw/zinc/16/73/23/263167323.db2.gz JZBIBCIDFLOQEC-GHMZBOCLSA-N 1 1 252.308 3.302 20 30 CGEDMO C[C@H](CC#N)[N@@H+](C)C[C@@H](C)c1cc(F)cc(F)c1 ZINC000294779030 263167325 /nfs/dbraw/zinc/16/73/25/263167325.db2.gz JZBIBCIDFLOQEC-GHMZBOCLSA-N 1 1 252.308 3.302 20 30 CGEDMO C[C@@H](C[N@@H+](C)[C@H](C)CC#N)c1cc(F)cc(F)c1 ZINC000294779039 263167373 /nfs/dbraw/zinc/16/73/73/263167373.db2.gz JZBIBCIDFLOQEC-WDEREUQCSA-N 1 1 252.308 3.302 20 30 CGEDMO C[C@@H](C[N@H+](C)[C@H](C)CC#N)c1cc(F)cc(F)c1 ZINC000294779039 263167374 /nfs/dbraw/zinc/16/73/74/263167374.db2.gz JZBIBCIDFLOQEC-WDEREUQCSA-N 1 1 252.308 3.302 20 30 CGEDMO COc1ccc([C@@H](Cc2ccccc2)[NH2+]CCC#N)cc1 ZINC000298419124 263219401 /nfs/dbraw/zinc/21/94/01/263219401.db2.gz FUPBRMWXDJAISA-GOSISDBHSA-N 1 1 280.371 3.482 20 30 CGEDMO C[C@H](CCC#N)[N@@H+](C)CCCOCc1ccccc1 ZINC000298511281 263220834 /nfs/dbraw/zinc/22/08/34/263220834.db2.gz KRQYISSYDGPYAR-OAHLLOKOSA-N 1 1 260.381 3.217 20 30 CGEDMO C[C@H](CCC#N)[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000299224236 263235707 /nfs/dbraw/zinc/23/57/07/263235707.db2.gz ICJLUNXHLIPHCT-GHMZBOCLSA-N 1 1 288.326 3.219 20 30 CGEDMO C[C@@H](CCC#N)[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000299224238 263235760 /nfs/dbraw/zinc/23/57/60/263235760.db2.gz ICJLUNXHLIPHCT-QWRGUYRKSA-N 1 1 288.326 3.219 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](C)CCc2ccccn2)c1 ZINC000120776116 263288006 /nfs/dbraw/zinc/28/80/06/263288006.db2.gz VPPFEQRHZRYLGN-UHFFFAOYSA-N 1 1 282.387 3.321 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000341096758 263321624 /nfs/dbraw/zinc/32/16/24/263321624.db2.gz AASAQHPTLNIANJ-HZPDHXFCSA-N 1 1 275.440 3.419 20 30 CGEDMO C=CC[C@H](CC)NC(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000341432042 263338196 /nfs/dbraw/zinc/33/81/96/263338196.db2.gz CVJXKDRLLXIKHF-HOTGVXAUSA-N 1 1 295.471 3.008 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC=C(c2ccccc2)C1 ZINC000341995021 263373112 /nfs/dbraw/zinc/37/31/12/263373112.db2.gz QZCCMAORNIKADP-KRWDZBQOSA-N 1 1 257.377 3.103 20 30 CGEDMO C=C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(CC)cc2)CC1 ZINC000341997566 263374012 /nfs/dbraw/zinc/37/40/12/263374012.db2.gz UMFRRMMNWRDONM-AWEZNQCLSA-N 1 1 272.392 3.228 20 30 CGEDMO Clc1ccccc1C#CC[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000341990367 263381977 /nfs/dbraw/zinc/38/19/77/263381977.db2.gz MPPREMXKMAPMHL-QGZVFWFLSA-N 1 1 289.806 3.194 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000330862454 264056626 /nfs/dbraw/zinc/05/66/26/264056626.db2.gz VUOTYKCYYBXASB-CJNGLKHVSA-N 1 1 267.376 3.270 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)CC2(CO)CC2)cc1Cl ZINC000188948685 264259595 /nfs/dbraw/zinc/25/95/95/264259595.db2.gz FDUYFDVIULCDLX-UHFFFAOYSA-N 1 1 295.810 3.109 20 30 CGEDMO C=CCOc1ccccc1CN[C@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000161510551 264288330 /nfs/dbraw/zinc/28/83/30/264288330.db2.gz LKQXFZMWMOTOAR-VYDXJSESSA-N 1 1 288.435 3.070 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425452115 264332232 /nfs/dbraw/zinc/33/22/32/264332232.db2.gz XCKQMUSFGFVWCV-UHFFFAOYSA-N 1 1 299.168 3.365 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C)cc1F ZINC000076733855 264343938 /nfs/dbraw/zinc/34/39/38/264343938.db2.gz HWKYVVYDFUQQTJ-ZDUSSCGKSA-N 1 1 278.371 3.359 20 30 CGEDMO C=CC[C@H](C(=O)NCC[N@H+](CC)CCC)c1ccccc1 ZINC000190059402 264395174 /nfs/dbraw/zinc/39/51/74/264395174.db2.gz IYSVWDNKEBRPEK-KRWDZBQOSA-N 1 1 288.435 3.194 20 30 CGEDMO C[C@H]1CCC[N@@H+](CCCCC#N)[C@@H]1C(=O)OC(C)(C)C ZINC000425525380 264435810 /nfs/dbraw/zinc/43/58/10/264435810.db2.gz TZIQOJQIXMGEFQ-KBPBESRZSA-N 1 1 280.412 3.122 20 30 CGEDMO C#CC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1nc(C(C)C)no1 ZINC000285134466 264554632 /nfs/dbraw/zinc/55/46/32/264554632.db2.gz ODJQVLFOYSUYDK-GDBMZVCRSA-N 1 1 297.402 3.478 20 30 CGEDMO C=CCOCC[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000292914478 264899688 /nfs/dbraw/zinc/89/96/88/264899688.db2.gz XJZTYABAEWHNGC-JKSUJKDBSA-N 1 1 293.407 3.150 20 30 CGEDMO CCC(CC)[N@@H+](CCOC)CCOc1ccc(C#N)cc1 ZINC000042616425 270033106 /nfs/dbraw/zinc/03/31/06/270033106.db2.gz IXIFEHUTEBNVNT-UHFFFAOYSA-N 1 1 290.407 3.074 20 30 CGEDMO CC(C)CC[N@@H+](CCOc1cccc(C#N)c1)C1CC1 ZINC000107812592 270050545 /nfs/dbraw/zinc/05/05/45/270050545.db2.gz LPVBSTXWGDSQCD-UHFFFAOYSA-N 1 1 272.392 3.448 20 30 CGEDMO C[C@H]1CC[N@H+](Cc2ccc(F)cc2C#N)CCS1 ZINC000192177517 270077130 /nfs/dbraw/zinc/07/71/30/270077130.db2.gz CIIVSHSBNCUNPR-NSHDSACASA-N 1 1 264.369 3.025 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)CCS1 ZINC000192177517 270077131 /nfs/dbraw/zinc/07/71/31/270077131.db2.gz CIIVSHSBNCUNPR-NSHDSACASA-N 1 1 264.369 3.025 20 30 CGEDMO CC(C)(C)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000521062947 270100015 /nfs/dbraw/zinc/10/00/15/270100015.db2.gz DOFUCUXTQDQPPO-CQSZACIVSA-N 1 1 257.381 3.211 20 30 CGEDMO C=CCCC1(C(=O)N2CCC[N@H+](C3CCCC3)CC2)CC1 ZINC000356165930 266061622 /nfs/dbraw/zinc/06/16/22/266061622.db2.gz IRPXBYKGGGYGPR-UHFFFAOYSA-N 1 1 290.451 3.210 20 30 CGEDMO N#CC1(C[N@@H+]2CCC[C@@H]2/C=C/c2ccccc2)CC1 ZINC000356376942 266105418 /nfs/dbraw/zinc/10/54/18/266105418.db2.gz WMADXDKMGZIIKN-ROJDOSBLSA-N 1 1 252.361 3.468 20 30 CGEDMO N#CC1(C[N@H+]2CCC[C@@H]2/C=C/c2ccccc2)CC1 ZINC000356376942 266105421 /nfs/dbraw/zinc/10/54/21/266105421.db2.gz WMADXDKMGZIIKN-ROJDOSBLSA-N 1 1 252.361 3.468 20 30 CGEDMO C=CC[C@@H](CC)NC(=O)[C@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000356377972 266105427 /nfs/dbraw/zinc/10/54/27/266105427.db2.gz RNVCBQPCDODDAS-SJORKVTESA-N 1 1 288.435 3.368 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1cn2ccc(Br)cc2n1 ZINC000356436381 266113265 /nfs/dbraw/zinc/11/32/65/266113265.db2.gz JXKWZCHKGCPUGQ-UHFFFAOYSA-N 1 1 294.196 3.105 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cn2ccc(Br)cc2n1 ZINC000356436381 266113268 /nfs/dbraw/zinc/11/32/68/266113268.db2.gz JXKWZCHKGCPUGQ-UHFFFAOYSA-N 1 1 294.196 3.105 20 30 CGEDMO CC[N@@H+](CCCOCCc1ccccc1)C[C@H](C)C#N ZINC000356480757 266123406 /nfs/dbraw/zinc/12/34/06/266123406.db2.gz SULMPPMQBDUIMU-MRXNPFEDSA-N 1 1 274.408 3.117 20 30 CGEDMO CC[C@@H]1C[C@@H](C)C[N@H+]1CCCOc1cccc(C#N)c1 ZINC000399749974 266385890 /nfs/dbraw/zinc/38/58/90/266385890.db2.gz LJRWXQZGAKUCHN-GDBMZVCRSA-N 1 1 272.392 3.448 20 30 CGEDMO C=C(CC)C[N@@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000358622031 266481460 /nfs/dbraw/zinc/48/14/60/266481460.db2.gz ANMSVMVVTIVNLH-AWEZNQCLSA-N 1 1 270.380 3.226 20 30 CGEDMO Cc1noc([C@@H]2CCC[N@@H+](CCCCC(C)(C)C#N)C2)n1 ZINC000368439260 267172335 /nfs/dbraw/zinc/17/23/35/267172335.db2.gz SJNSZJVJGJNKNU-CQSZACIVSA-N 1 1 290.411 3.278 20 30 CGEDMO Cc1ccc(-c2ncc(C[NH2+]CC3(C#N)CCC3)s2)o1 ZINC000418143964 267365231 /nfs/dbraw/zinc/36/52/31/267365231.db2.gz ROMSTVWGEDKRDY-UHFFFAOYSA-N 1 1 287.388 3.495 20 30 CGEDMO C[C@H]1CC(F)(F)CC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000528763736 270171658 /nfs/dbraw/zinc/17/16/58/270171658.db2.gz BMZGZILQCHOUES-ZDUSSCGKSA-N 1 1 294.345 3.447 20 30 CGEDMO Cc1ccc(C#N)nc1NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000528119608 268031488 /nfs/dbraw/zinc/03/14/88/268031488.db2.gz WWUJSWKGBPVXCB-MRXNPFEDSA-N 1 1 284.407 3.081 20 30 CGEDMO N#Cc1csc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000186446763 268320710 /nfs/dbraw/zinc/32/07/10/268320710.db2.gz HEZQLACCFUJAKD-KRWDZBQOSA-N 1 1 296.395 3.251 20 30 CGEDMO C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)CC(C)(C)C ZINC000532956269 270220343 /nfs/dbraw/zinc/22/03/43/270220343.db2.gz JTFQGCNTRCYPSR-UHFFFAOYSA-N 1 1 293.798 3.128 20 30 CGEDMO CC1(C)CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459332245 275823802 /nfs/dbraw/zinc/82/38/02/275823802.db2.gz XLFVEIHDZMIRCV-UHFFFAOYSA-N 1 1 273.336 3.088 20 30 CGEDMO CC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)C1CCCC1 ZINC000035766127 276121970 /nfs/dbraw/zinc/12/19/70/276121970.db2.gz LMRZWSFLSCORIC-UHFFFAOYSA-N 1 1 285.391 3.151 20 30 CGEDMO C[N@H+]1CCC[C@@H]2CN(c3cccc(Cl)c3C#N)CC[C@@H]21 ZINC000166633861 277070034 /nfs/dbraw/zinc/07/00/34/277070034.db2.gz SSHZLSMUFMPORN-DOMZBBRYSA-N 1 1 289.810 3.132 20 30 CGEDMO C[C@@H](C1CC1)[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1CC1 ZINC000459305194 278219004 /nfs/dbraw/zinc/21/90/04/278219004.db2.gz PYSZCFLAGLPUBO-NSHDSACASA-N 1 1 285.347 3.229 20 30 CGEDMO C[C@@H](C1CC1)[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1CC1 ZINC000459305194 278219008 /nfs/dbraw/zinc/21/90/08/278219008.db2.gz PYSZCFLAGLPUBO-NSHDSACASA-N 1 1 285.347 3.229 20 30 CGEDMO C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000336006283 279022374 /nfs/dbraw/zinc/02/23/74/279022374.db2.gz HGZKJIPCOAYEHS-MEBBXXQBSA-N 1 1 269.373 3.038 20 30 CGEDMO C[C@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1ccc(C#N)cc1F ZINC000305825579 279555003 /nfs/dbraw/zinc/55/50/03/279555003.db2.gz QWCGMUCRPOWJFC-NBHSMZAVSA-N 1 1 296.345 3.006 20 30 CGEDMO Cc1cc(C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)on1 ZINC000352839176 280491707 /nfs/dbraw/zinc/49/17/07/280491707.db2.gz ILHDTEIZJZIMTB-UHFFFAOYSA-N 1 1 295.264 3.163 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(Br)cc1C#N ZINC000347169576 527320440 /nfs/dbraw/zinc/32/04/40/527320440.db2.gz OOXWCTHIHKEWLY-UHFFFAOYSA-N 1 1 279.181 3.329 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+][C@H]1CCCc2c(F)cccc21 ZINC000570786104 327618970 /nfs/dbraw/zinc/61/89/70/327618970.db2.gz AEYNFBTXSLGKIJ-WBMJQRKESA-N 1 1 271.339 3.236 20 30 CGEDMO C=CCCCCC[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000582615482 329117924 /nfs/dbraw/zinc/11/79/24/329117924.db2.gz XCIDVHYMVCJNIL-UHFFFAOYSA-N 1 1 258.365 3.187 20 30 CGEDMO C=CCCCCC[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000582615482 329117925 /nfs/dbraw/zinc/11/79/25/329117925.db2.gz XCIDVHYMVCJNIL-UHFFFAOYSA-N 1 1 258.365 3.187 20 30 CGEDMO N#CCC[C@@H](C#N)C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000264881452 328162671 /nfs/dbraw/zinc/16/26/71/328162671.db2.gz QYYBAHUCTIXBEK-KBPBESRZSA-N 1 1 271.339 3.059 20 30 CGEDMO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000264881452 328162672 /nfs/dbraw/zinc/16/26/72/328162672.db2.gz QYYBAHUCTIXBEK-KBPBESRZSA-N 1 1 271.339 3.059 20 30 CGEDMO C[C@H](CCC#N)[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000276361001 328218109 /nfs/dbraw/zinc/21/81/09/328218109.db2.gz YMEHTAPJKSJDMF-SJLPKXTDSA-N 1 1 285.435 3.133 20 30 CGEDMO C[C@H](CCC#N)[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000276361001 328218110 /nfs/dbraw/zinc/21/81/10/328218110.db2.gz YMEHTAPJKSJDMF-SJLPKXTDSA-N 1 1 285.435 3.133 20 30 CGEDMO C[C@H](CCC#N)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000276361001 328218111 /nfs/dbraw/zinc/21/81/11/328218111.db2.gz YMEHTAPJKSJDMF-SJLPKXTDSA-N 1 1 285.435 3.133 20 30 CGEDMO C[C@H](CCC#N)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276361001 328218112 /nfs/dbraw/zinc/21/81/12/328218112.db2.gz YMEHTAPJKSJDMF-SJLPKXTDSA-N 1 1 285.435 3.133 20 30 CGEDMO C=CCC[N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000276456327 328218461 /nfs/dbraw/zinc/21/84/61/328218461.db2.gz QDFWCUBGPABPCM-UHFFFAOYSA-N 1 1 295.386 3.246 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000276456327 328218463 /nfs/dbraw/zinc/21/84/63/328218463.db2.gz QDFWCUBGPABPCM-UHFFFAOYSA-N 1 1 295.386 3.246 20 30 CGEDMO C[NH+](C)[C@@H]1CCCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000277340338 328221140 /nfs/dbraw/zinc/22/11/40/328221140.db2.gz WBJRYIRNROAWQY-QGZVFWFLSA-N 1 1 299.462 3.404 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000564449418 322031619 /nfs/dbraw/zinc/03/16/19/322031619.db2.gz CQRSZHFUCVXSIL-UONOGXRCSA-N 1 1 270.376 3.263 20 30 CGEDMO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000565158156 322062928 /nfs/dbraw/zinc/06/29/28/322062928.db2.gz QRIDLEHCXHVCJB-QGZVFWFLSA-N 1 1 280.375 3.019 20 30 CGEDMO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000565158156 322062931 /nfs/dbraw/zinc/06/29/31/322062931.db2.gz QRIDLEHCXHVCJB-QGZVFWFLSA-N 1 1 280.375 3.019 20 30 CGEDMO C[C@H]1C[C@@H](Nc2c(Cl)cccc2C#N)C[N@H+]1C1CC1 ZINC000565984618 322099828 /nfs/dbraw/zinc/09/98/28/322099828.db2.gz XUTJWLSRXJJKOL-CMPLNLGQSA-N 1 1 275.783 3.249 20 30 CGEDMO N#Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](C3CCCC3)C2)c1 ZINC000567460925 322163987 /nfs/dbraw/zinc/16/39/87/322163987.db2.gz FKHCSFLWSLFOPN-MRXNPFEDSA-N 1 1 297.402 3.009 20 30 CGEDMO COc1cc(C[NH2+]Cc2cccc(F)c2F)ccc1C#N ZINC000570488048 322274836 /nfs/dbraw/zinc/27/48/36/322274836.db2.gz JDAFLMWDPYLQAM-UHFFFAOYSA-N 1 1 288.297 3.135 20 30 CGEDMO Cc1cc(C[N@H+]2CC[C@@H](CC3CC3)C2)ccc1C#N ZINC000571704797 322305514 /nfs/dbraw/zinc/30/55/14/322305514.db2.gz AWYKVFWQMWTCOO-INIZCTEOSA-N 1 1 254.377 3.489 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000255869404 327023277 /nfs/dbraw/zinc/02/32/77/327023277.db2.gz FORCVZJOLAKBBZ-JKSUJKDBSA-N 1 1 288.435 3.193 20 30 CGEDMO CC[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CCS1 ZINC000343538207 327032496 /nfs/dbraw/zinc/03/24/96/327032496.db2.gz NLNJNWXJNPBUAQ-OAHLLOKOSA-N 1 1 260.406 3.080 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+][C@H]1CCCc2c(F)cc(F)cc21 ZINC000584281853 327215743 /nfs/dbraw/zinc/21/57/43/327215743.db2.gz XMNOXXJWVFXVNW-ZBEGNZNMSA-N 1 1 289.329 3.375 20 30 CGEDMO C[N@@H+](CCCCC#N)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000102396609 327226801 /nfs/dbraw/zinc/22/68/01/327226801.db2.gz UGSKDYGBDIXVEM-UHFFFAOYSA-N 1 1 281.743 3.374 20 30 CGEDMO C=C(C)C[N@H+](CCCC(=O)NCCC)Cc1ccccc1 ZINC000574529716 327343137 /nfs/dbraw/zinc/34/31/37/327343137.db2.gz JTUDHFIUXSEPJQ-UHFFFAOYSA-N 1 1 288.435 3.371 20 30 CGEDMO C=C1CC[NH+](Cc2cc3c(cc2OC)C[C@@H](C)O3)CC1 ZINC000536657422 328676913 /nfs/dbraw/zinc/67/69/13/328676913.db2.gz QOIOAWRZPFQZJP-CYBMUJFWSA-N 1 1 273.376 3.171 20 30 CGEDMO CCCCCCCC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000377426201 329014886 /nfs/dbraw/zinc/01/48/86/329014886.db2.gz NGMNSARVKWQEOA-LSDHHAIUSA-N 1 1 266.429 3.090 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000582602158 329114213 /nfs/dbraw/zinc/11/42/13/329114213.db2.gz MCTBAAAGGGDQAN-GXTWGEPZSA-N 1 1 295.308 3.366 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000175659004 329167546 /nfs/dbraw/zinc/16/75/46/329167546.db2.gz IKMBGDDGHCDWMH-IRXDYDNUSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000181263203 329228540 /nfs/dbraw/zinc/22/85/40/329228540.db2.gz XXGZKSCEYDHAPA-LLVKDONJSA-N 1 1 291.782 3.047 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000181263203 329228541 /nfs/dbraw/zinc/22/85/41/329228541.db2.gz XXGZKSCEYDHAPA-LLVKDONJSA-N 1 1 291.782 3.047 20 30 CGEDMO C=CCCCC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181555720 329234474 /nfs/dbraw/zinc/23/44/74/329234474.db2.gz SFPLLVIJFUPMAO-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C[C@H]([N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-])C1(C)CC1 ZINC000582908067 329286633 /nfs/dbraw/zinc/28/66/33/329286633.db2.gz RPDGFFWPFSINIM-NSHDSACASA-N 1 1 273.336 3.087 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)C[C@H](O)C(C)(C)C ZINC000582920233 329289078 /nfs/dbraw/zinc/28/90/78/329289078.db2.gz LQESQFILBPOFOR-INIZCTEOSA-N 1 1 261.409 3.124 20 30 CGEDMO C[C@@H](C1CC1)[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000583063092 329309484 /nfs/dbraw/zinc/30/94/84/329309484.db2.gz QQBQIBIGQMZKIL-JTQLQIEISA-N 1 1 280.318 3.390 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)nc1 ZINC000583152144 329323219 /nfs/dbraw/zinc/32/32/19/329323219.db2.gz QEJRGHZLCNGDBX-CQSZACIVSA-N 1 1 281.334 3.082 20 30 CGEDMO C=CCCC(=O)N(CC)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186324731 329341098 /nfs/dbraw/zinc/34/10/98/329341098.db2.gz NJTHXNLUYHDMAB-KRWDZBQOSA-N 1 1 286.419 3.076 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)C[C@@H]1CCC(C)(C)O1 ZINC000187114091 329353256 /nfs/dbraw/zinc/35/32/56/329353256.db2.gz WUGHBJJXQPBZFX-AWEZNQCLSA-N 1 1 252.402 3.206 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)C[C@@H]1CCC(C)(C)O1 ZINC000187114091 329353258 /nfs/dbraw/zinc/35/32/58/329353258.db2.gz WUGHBJJXQPBZFX-AWEZNQCLSA-N 1 1 252.402 3.206 20 30 CGEDMO C=CCC1(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)CCC1 ZINC000189970387 329390637 /nfs/dbraw/zinc/39/06/37/329390637.db2.gz PWCRTFLARJMPGG-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)C[C@@H]1CC[C@@H](C)O1 ZINC000190304922 329394477 /nfs/dbraw/zinc/39/44/77/329394477.db2.gz RTRBXSCAEUNPMI-OLZOCXBDSA-N 1 1 251.395 3.304 20 30 CGEDMO C#CC[N@H+](CC)Cc1cccc(OCc2ccccn2)c1 ZINC000271164240 330077937 /nfs/dbraw/zinc/07/79/37/330077937.db2.gz YOPZRXJIJJHZBO-UHFFFAOYSA-N 1 1 280.371 3.116 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1c(C)nn(C)c1Cl ZINC000272328314 330085362 /nfs/dbraw/zinc/08/53/62/330085362.db2.gz VPUPHIZJBKGRHW-UHFFFAOYSA-N 1 1 293.798 3.206 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1c(C)nn(C)c1Cl ZINC000272328314 330085364 /nfs/dbraw/zinc/08/53/64/330085364.db2.gz VPUPHIZJBKGRHW-UHFFFAOYSA-N 1 1 293.798 3.206 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)C[C@@H]1CCCC[C@@H]1O ZINC000572443844 330085431 /nfs/dbraw/zinc/08/54/31/330085431.db2.gz ICXXAEUHIFGFCB-IRXDYDNUSA-N 1 1 259.393 3.226 20 30 CGEDMO C=CC[C@H]1[N@H+](Cc2nc([C@H](C)OC)no2)CCCC1(C)C ZINC000277702383 330117024 /nfs/dbraw/zinc/11/70/24/330117024.db2.gz HVFJBBHUQZGKFW-QWHCGFSZSA-N 1 1 293.411 3.344 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2nc([C@H](C)OC)no2)CCCC1(C)C ZINC000277702383 330117025 /nfs/dbraw/zinc/11/70/25/330117025.db2.gz HVFJBBHUQZGKFW-QWHCGFSZSA-N 1 1 293.411 3.344 20 30 CGEDMO C#Cc1ccc(CN[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000279146216 330121742 /nfs/dbraw/zinc/12/17/42/330121742.db2.gz ZORLFDVCKZOYOH-APWZRJJASA-N 1 1 296.458 3.411 20 30 CGEDMO C#Cc1ccc(CN[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000279146216 330121744 /nfs/dbraw/zinc/12/17/44/330121744.db2.gz ZORLFDVCKZOYOH-APWZRJJASA-N 1 1 296.458 3.411 20 30 CGEDMO C#C[C@H](CC)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379647732 330145244 /nfs/dbraw/zinc/14/52/44/330145244.db2.gz KWGAYKKUYYSTNY-JQHSSLGASA-N 1 1 270.420 3.041 20 30 CGEDMO C#C[C@H](CC)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379647732 330145245 /nfs/dbraw/zinc/14/52/45/330145245.db2.gz KWGAYKKUYYSTNY-JQHSSLGASA-N 1 1 270.420 3.041 20 30 CGEDMO CC(C)c1ccc([C@H]([NH3+])CN[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000423234696 330180976 /nfs/dbraw/zinc/18/09/76/330180976.db2.gz FUBDKNHYYZUCHV-JCGIZDLHSA-N 1 1 285.435 3.482 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]C[C@H](CC(C)C)N(C)C ZINC000035258537 330245141 /nfs/dbraw/zinc/24/51/41/330245141.db2.gz DQVIJTPEELLDND-KRWDZBQOSA-N 1 1 290.451 3.317 20 30 CGEDMO CC[C@H]1CN(C)c2ccccc2C[N@H+]1CCCCC#N ZINC000088562185 330377323 /nfs/dbraw/zinc/37/73/23/330377323.db2.gz LJPZXPJUGJUIQX-INIZCTEOSA-N 1 1 271.408 3.411 20 30 CGEDMO C=CC[N@@H+](C)CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000121266479 330398957 /nfs/dbraw/zinc/39/89/57/330398957.db2.gz RRDNJMKZMBYZOU-UHFFFAOYSA-N 1 1 294.398 3.338 20 30 CGEDMO C=CC[N@H+](C)CC(=O)N(Cc1ccccc1)c1ccccc1 ZINC000121266479 330398958 /nfs/dbraw/zinc/39/89/58/330398958.db2.gz RRDNJMKZMBYZOU-UHFFFAOYSA-N 1 1 294.398 3.338 20 30 CGEDMO C=CCC[C@H]([NH2+][C@H]1CCCC12CCC2)C(=O)OCC ZINC000449653351 330942159 /nfs/dbraw/zinc/94/21/59/330942159.db2.gz CAFNQPJRXJOGEP-KBPBESRZSA-N 1 1 265.397 3.197 20 30 CGEDMO CCOc1ccccc1[C@@H](C)[NH2+]CC1(C#N)CCC1 ZINC000450671558 330992528 /nfs/dbraw/zinc/99/25/28/330992528.db2.gz WCPFFCZTUMCQQV-CYBMUJFWSA-N 1 1 258.365 3.430 20 30 CGEDMO CO[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1C ZINC000451543072 331033501 /nfs/dbraw/zinc/03/35/01/331033501.db2.gz KTZOBKXWASJHMH-XJKSGUPXSA-N 1 1 277.795 3.048 20 30 CGEDMO C=CCC1(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)CCCCC1 ZINC000451840178 331044378 /nfs/dbraw/zinc/04/43/78/331044378.db2.gz KLSJELHMRRSTKV-HNNXBMFYSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCOCCC[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451852710 331044684 /nfs/dbraw/zinc/04/46/84/331044684.db2.gz KTHSSEWXPDQBCW-OAHLLOKOSA-N 1 1 261.365 3.399 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000451877306 331045852 /nfs/dbraw/zinc/04/58/52/331045852.db2.gz IFROBAVAKRGACW-YOEHRIQHSA-N 1 1 299.418 3.417 20 30 CGEDMO CC(C)(C)OC(=O)[C@]1(C)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000459558123 331287782 /nfs/dbraw/zinc/28/77/82/331287782.db2.gz IAFCZDNUQBSQDR-LJQANCHMSA-N 1 1 299.414 3.092 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1Cc2sccc2CC1(C)C ZINC000459576579 331288823 /nfs/dbraw/zinc/28/88/23/331288823.db2.gz GLDZXBYCFGCTTM-CYBMUJFWSA-N 1 1 265.422 3.212 20 30 CGEDMO C=CCC[N@H+](C)CCc1cccc(Br)c1 ZINC000463428262 331347571 /nfs/dbraw/zinc/34/75/71/331347571.db2.gz YZMDHDHRPSXJRV-UHFFFAOYSA-N 1 1 268.198 3.500 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000464652781 331364325 /nfs/dbraw/zinc/36/43/25/331364325.db2.gz XKPAVBFRXWPRIX-XHSDSOJGSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@](C)(CCC)C1 ZINC000464839246 331370765 /nfs/dbraw/zinc/37/07/65/331370765.db2.gz PGXTYOGEPHJRLT-WMZOPIPTSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2ncnn2CC(F)F)CCCC1(C)C ZINC000489018126 332038076 /nfs/dbraw/zinc/03/80/76/332038076.db2.gz QVGDZUDOYSRWLQ-LBPRGKRZSA-N 1 1 298.381 3.110 20 30 CGEDMO C=CC[C@@H]1[N@H+](Cc2ncnn2CC(F)F)CCCC1(C)C ZINC000489018126 332038078 /nfs/dbraw/zinc/03/80/78/332038078.db2.gz QVGDZUDOYSRWLQ-LBPRGKRZSA-N 1 1 298.381 3.110 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000489409035 332050573 /nfs/dbraw/zinc/05/05/73/332050573.db2.gz XBXHNMVOANITCY-MRXNPFEDSA-N 1 1 267.376 3.413 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(C(=O)OC)oc1CC ZINC000489430511 332052009 /nfs/dbraw/zinc/05/20/09/332052009.db2.gz PIOHQNIWGSDHTF-CYBMUJFWSA-N 1 1 277.364 3.169 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cccc(-n2cccn2)c1 ZINC000489437878 332052137 /nfs/dbraw/zinc/05/21/37/332052137.db2.gz WWGXADISKKFGCF-MRXNPFEDSA-N 1 1 267.376 3.413 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CCCC(=O)OC(C)(C)C ZINC000489442262 332052536 /nfs/dbraw/zinc/05/25/36/332052536.db2.gz VXUQLPAODOMFED-CYBMUJFWSA-N 1 1 253.386 3.149 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1 ZINC000489492174 332056528 /nfs/dbraw/zinc/05/65/28/332056528.db2.gz CZFKKAUMDCDVFV-CABCVRRESA-N 1 1 295.810 3.120 20 30 CGEDMO C#CC[N@H+](CCCCn1ccnc1C)C1CCCCC1 ZINC000490874725 332123581 /nfs/dbraw/zinc/12/35/81/332123581.db2.gz NUTGOLXBDWKPOX-UHFFFAOYSA-N 1 1 273.424 3.240 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(OCc2ccncc2)cc1 ZINC000491621156 332246592 /nfs/dbraw/zinc/24/65/92/332246592.db2.gz CVICTJYJKBROOS-OAHLLOKOSA-N 1 1 280.371 3.114 20 30 CGEDMO CCC[N@@H+](CCN1CCCCC1)Cc1ccc(CC#N)cc1 ZINC000513155050 333006706 /nfs/dbraw/zinc/00/67/06/333006706.db2.gz UDTXAFFLUXHGNU-UHFFFAOYSA-N 1 1 299.462 3.451 20 30 CGEDMO CCCN(CC[NH+]1CCCCC1)Cc1ccc(CC#N)cc1 ZINC000513155050 333006707 /nfs/dbraw/zinc/00/67/07/333006707.db2.gz UDTXAFFLUXHGNU-UHFFFAOYSA-N 1 1 299.462 3.451 20 30 CGEDMO C[N@@H+](CCCCC#N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174826598 333008269 /nfs/dbraw/zinc/00/82/69/333008269.db2.gz RWDCPDMVVXLDKY-UHFFFAOYSA-N 1 1 295.427 3.012 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+](CC)CC(=O)N1CCCCCC1 ZINC000513218407 333009280 /nfs/dbraw/zinc/00/92/80/333009280.db2.gz MDXNNLUYUNSZBE-INIZCTEOSA-N 1 1 280.456 3.456 20 30 CGEDMO C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309789941 333049423 /nfs/dbraw/zinc/04/94/23/333049423.db2.gz OIUZWQSGKNUJRC-FUHWJXTLSA-N 1 1 272.436 3.453 20 30 CGEDMO C=C(C)C[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000184744638 333110651 /nfs/dbraw/zinc/11/06/51/333110651.db2.gz FZFQNBXSXLFPNM-HZPDHXFCSA-N 1 1 272.436 3.309 20 30 CGEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2cncc(C)c2)CC1 ZINC000184348899 333127310 /nfs/dbraw/zinc/12/73/10/333127310.db2.gz FEKMPKYXWFBDSB-OAHLLOKOSA-N 1 1 273.424 3.081 20 30 CGEDMO CCOC(=O)[C@H](CC)[N@@H+](CCCC(C)(C)C#N)C1CC1 ZINC000190679861 333209874 /nfs/dbraw/zinc/20/98/74/333209874.db2.gz OHYCEQSDECVIGD-AWEZNQCLSA-N 1 1 280.412 3.122 20 30 CGEDMO CC(C)(O)C[N@@H+](CC#Cc1ccccc1)Cc1ccccc1 ZINC000192165844 333231428 /nfs/dbraw/zinc/23/14/28/333231428.db2.gz QFBQHSSWVBJTMI-UHFFFAOYSA-N 1 1 293.410 3.311 20 30 CGEDMO C=CCCCCC[N@H+](C)CC(=O)NCC1CCCCC1 ZINC000523551877 333332881 /nfs/dbraw/zinc/33/28/81/333332881.db2.gz GYFYOEAQQOBDPF-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)C[C@@H](C)CC ZINC000523606609 333333866 /nfs/dbraw/zinc/33/38/66/333333866.db2.gz HLLDEDFSUBMGTG-RDJZCZTQSA-N 1 1 291.435 3.133 20 30 CGEDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1CCCCC(C)(C)C#N ZINC000235559297 333370840 /nfs/dbraw/zinc/37/08/40/333370840.db2.gz PNZPGJBUAWKTCU-GJZGRUSLSA-N 1 1 266.429 3.332 20 30 CGEDMO C/C(Cl)=C\C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000528493243 333441458 /nfs/dbraw/zinc/44/14/58/333441458.db2.gz MTYCTNDZLCESNG-WLRTZDKTSA-N 1 1 275.783 3.081 20 30 CGEDMO CC1(C#N)CC[NH+](Cc2cnc(C3CC3)s2)CC1 ZINC000540952765 333755140 /nfs/dbraw/zinc/75/51/40/333755140.db2.gz JPSPCSJZUKHUBT-UHFFFAOYSA-N 1 1 261.394 3.146 20 30 CGEDMO CCCn1cc(C[NH2+][C@@H](CCC#N)c2ccccc2)cn1 ZINC000130398318 333841160 /nfs/dbraw/zinc/84/11/60/333841160.db2.gz LAHAEBRQUFIICQ-KRWDZBQOSA-N 1 1 282.391 3.428 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000174955311 335170039 /nfs/dbraw/zinc/17/00/39/335170039.db2.gz DRDHONBOXHXDRQ-QGZVFWFLSA-N 1 1 258.409 3.159 20 30 CGEDMO C[C@@H](C#N)CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000237515236 334090204 /nfs/dbraw/zinc/09/02/04/334090204.db2.gz OMXDCXKFCYCCOP-ZDUSSCGKSA-N 1 1 291.826 3.054 20 30 CGEDMO CC[NH+]1CCC([N@@H+](C)Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135114954 334115975 /nfs/dbraw/zinc/11/59/75/334115975.db2.gz DBZACSUZZXWHKQ-UHFFFAOYSA-N 1 1 299.462 3.404 20 30 CGEDMO CC[NH+]1CCC(N(C)Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135114954 334115976 /nfs/dbraw/zinc/11/59/76/334115976.db2.gz DBZACSUZZXWHKQ-UHFFFAOYSA-N 1 1 299.462 3.404 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000548094216 334139428 /nfs/dbraw/zinc/13/94/28/334139428.db2.gz FMJGIGXSIARHCG-ARFHVFGLSA-N 1 1 251.414 3.480 20 30 CGEDMO C=CCOCC[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000549367124 334191492 /nfs/dbraw/zinc/19/14/92/334191492.db2.gz YYQLTYZFZVOVCF-KRWDZBQOSA-N 1 1 259.393 3.286 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@H](Cc2ccc(OC)cc2)C1 ZINC000549465348 334194557 /nfs/dbraw/zinc/19/45/57/334194557.db2.gz RIMNWEZXIRGWAG-QGZVFWFLSA-N 1 1 289.419 3.152 20 30 CGEDMO CC#CC[N@@H+](C)CCOc1cccc2ccccc21 ZINC000550128596 334213877 /nfs/dbraw/zinc/21/38/77/334213877.db2.gz GUZBZCVJDHMYDH-UHFFFAOYSA-N 1 1 253.345 3.174 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCCO[C@@H](C(C)C)C2)cc1 ZINC000552159733 334297066 /nfs/dbraw/zinc/29/70/66/334297066.db2.gz DBJRIXZRLJUBEG-GOSISDBHSA-N 1 1 289.419 3.498 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)NC(C)(C)CC ZINC000564389093 334303481 /nfs/dbraw/zinc/30/34/81/334303481.db2.gz DIGNZVYCSZOINQ-CQSZACIVSA-N 1 1 268.445 3.358 20 30 CGEDMO C[N@@H+](CCCCOc1ccccc1)CC(C)(C)C#N ZINC000552316922 334316219 /nfs/dbraw/zinc/31/62/19/334316219.db2.gz SWISRSHDULPEQN-UHFFFAOYSA-N 1 1 260.381 3.327 20 30 CGEDMO C[N@H+](CCCN[C@H]1CCC[C@@H](C#N)C1)C1CCCCC1 ZINC000248912236 334321815 /nfs/dbraw/zinc/32/18/15/334321815.db2.gz VNLBSKPJSNWHLK-CVEARBPZSA-N 1 1 277.456 3.313 20 30 CGEDMO C[N@@H+](CCCN[C@H]1CCC[C@@H](C#N)C1)C1CCCCC1 ZINC000248912236 334321816 /nfs/dbraw/zinc/32/18/16/334321816.db2.gz VNLBSKPJSNWHLK-CVEARBPZSA-N 1 1 277.456 3.313 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)cc1 ZINC000552424350 334326286 /nfs/dbraw/zinc/32/62/86/334326286.db2.gz XPHWNIRKOIUYBR-RBUKOAKNSA-N 1 1 299.414 3.395 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)cc1 ZINC000552424350 334326287 /nfs/dbraw/zinc/32/62/87/334326287.db2.gz XPHWNIRKOIUYBR-RBUKOAKNSA-N 1 1 299.414 3.395 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000091536446 334380093 /nfs/dbraw/zinc/38/00/93/334380093.db2.gz YEGNEPBGOYPAPF-LBPRGKRZSA-N 1 1 265.353 3.334 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1ccccc1N1CCCCC1 ZINC000565359027 334555510 /nfs/dbraw/zinc/55/55/10/334555510.db2.gz JKTPCZQBIFOUQN-INIZCTEOSA-N 1 1 296.418 3.210 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000565456597 334564987 /nfs/dbraw/zinc/56/49/87/334564987.db2.gz RPPXFPZTVRJMHT-MLGOLLRUSA-N 1 1 271.339 3.236 20 30 CGEDMO C=C(C)[C@@H]1OCC[C@H]1CNc1[nH+]ccc2cc(F)ccc21 ZINC000576938311 335266212 /nfs/dbraw/zinc/26/62/12/335266212.db2.gz AHWVPKDLEFWJKD-BBRMVZONSA-N 1 1 286.350 3.189 20 30 CGEDMO Cc1ccc(NCc2c(F)cc(C#N)cc2F)[nH+]c1 ZINC000192747288 335298975 /nfs/dbraw/zinc/29/89/75/335298975.db2.gz KNYLGAWVEKXHOF-UHFFFAOYSA-N 1 1 259.259 3.152 20 30 CGEDMO C[C@H]1CCC[N@@H+](C(C)(C)CNCc2cc(C#N)cs2)C1 ZINC000177689430 335379213 /nfs/dbraw/zinc/37/92/13/335379213.db2.gz NOZDCPCIBNRSEP-ZDUSSCGKSA-N 1 1 291.464 3.220 20 30 CGEDMO C[C@H]1CCC[N@H+](C(C)(C)CNCc2cc(C#N)cs2)C1 ZINC000177689430 335379214 /nfs/dbraw/zinc/37/92/14/335379214.db2.gz NOZDCPCIBNRSEP-ZDUSSCGKSA-N 1 1 291.464 3.220 20 30 CGEDMO C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccccc1F ZINC000577618035 335379285 /nfs/dbraw/zinc/37/92/85/335379285.db2.gz ZCKMRDBQHURZEK-JCGVRSQUSA-N 1 1 298.361 3.470 20 30 CGEDMO CSc1cc(C)ccc1C[NH2+]C[C@H](C#N)CCC#N ZINC000577690319 335388897 /nfs/dbraw/zinc/38/88/97/335388897.db2.gz LSGRTXLYQJNUOD-ZDUSSCGKSA-N 1 1 273.405 3.250 20 30 CGEDMO C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)c2nccn21 ZINC000579437600 335755243 /nfs/dbraw/zinc/75/52/43/335755243.db2.gz AJJWHHFZUXTQLC-DQYPLSBCSA-N 1 1 292.386 3.428 20 30 CGEDMO C[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)c1cccc(C#N)c1 ZINC000581053786 336001288 /nfs/dbraw/zinc/00/12/88/336001288.db2.gz JFTPYVJYZQGXPB-SLEUVZQESA-N 1 1 266.348 3.111 20 30 CGEDMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000384293128 336123295 /nfs/dbraw/zinc/12/32/95/336123295.db2.gz YEIPDNZHFKADLP-DOMZBBRYSA-N 1 1 258.365 3.187 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC(=O)CC12CCC2 ZINC000581832747 336149526 /nfs/dbraw/zinc/14/95/26/336149526.db2.gz RECJEFYFGDCPJB-UHFFFAOYSA-N 1 1 262.397 3.294 20 30 CGEDMO N#Cc1ccccc1OCC[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000387237032 336189223 /nfs/dbraw/zinc/18/92/23/336189223.db2.gz BMRDOFPEUUIMEJ-GOSISDBHSA-N 1 1 292.382 3.427 20 30 CGEDMO COc1cc(C[NH+]2CCC(C)(C#N)CC2)ccc1Cl ZINC000334798204 533800553 /nfs/dbraw/zinc/80/05/53/533800553.db2.gz QSFJQHGGSULXHD-UHFFFAOYSA-N 1 1 278.783 3.474 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1F ZINC000358575341 533924424 /nfs/dbraw/zinc/92/44/24/533924424.db2.gz SGNBJTBAHBKKNC-NSHDSACASA-N 1 1 299.305 3.456 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)CC1CCCC1 ZINC000425534909 534081225 /nfs/dbraw/zinc/08/12/25/534081225.db2.gz MNAMYOKJYZZLMN-KSSFIOAISA-N 1 1 286.419 3.492 20 30 CGEDMO Cc1cc(C)n(CC[N@H+](C)[C@@H](C)c2cccc(C#N)c2)n1 ZINC000425536456 534109144 /nfs/dbraw/zinc/10/91/44/534109144.db2.gz OPUMOFUJHQTVGK-HNNXBMFYSA-N 1 1 282.391 3.065 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](Cc1ccccc1)CC(C)C ZINC000036096760 518717809 /nfs/dbraw/zinc/71/78/09/518717809.db2.gz XRJDTOZHPRTVFH-QGZVFWFLSA-N 1 1 261.409 3.472 20 30 CGEDMO C[N@@H+](CCCCCn1cccn1)Cc1ccc(C#N)cc1 ZINC000104667833 522734819 /nfs/dbraw/zinc/73/48/19/522734819.db2.gz HYWQJCRTWLTJHU-UHFFFAOYSA-N 1 1 282.391 3.057 20 30 CGEDMO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000363928682 534845113 /nfs/dbraw/zinc/84/51/13/534845113.db2.gz ZDLDEUOWGJTYPS-KRWDZBQOSA-N 1 1 298.365 3.076 20 30 CGEDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000363928682 534845115 /nfs/dbraw/zinc/84/51/15/534845115.db2.gz ZDLDEUOWGJTYPS-KRWDZBQOSA-N 1 1 298.365 3.076 20 30 CGEDMO Cc1cc(C#N)cc(NCCC[N@H+](C)C2CCCCC2)n1 ZINC000161684478 526185658 /nfs/dbraw/zinc/18/56/58/526185658.db2.gz ORMIQXMSKHEXDZ-UHFFFAOYSA-N 1 1 286.423 3.328 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cc(C#N)ccc1OC ZINC000352721701 526325152 /nfs/dbraw/zinc/32/51/52/526325152.db2.gz WIVPBMYCYAUERP-UHFFFAOYSA-N 1 1 296.370 3.391 20 30 CGEDMO C=C(C)CC[N@@H+](Cc1cccs1)[C@H]1C=C[C@H](CO)C1 ZINC000347313675 526442956 /nfs/dbraw/zinc/44/29/56/526442956.db2.gz GBEBWPHUPCDYPR-GJZGRUSLSA-N 1 1 277.433 3.453 20 30 CGEDMO C=C(C)C[N@H+](CCC(F)(F)F)Cc1ccc(CO)o1 ZINC000352794958 526551104 /nfs/dbraw/zinc/55/11/04/526551104.db2.gz BTPIVMWZYFBIMC-UHFFFAOYSA-N 1 1 277.286 3.102 20 30 CGEDMO C=C(C)C[N@@H+](CCC(F)(F)F)Cc1ccc(CO)o1 ZINC000352794958 526551107 /nfs/dbraw/zinc/55/11/07/526551107.db2.gz BTPIVMWZYFBIMC-UHFFFAOYSA-N 1 1 277.286 3.102 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(F)cc1 ZINC000352789602 526559835 /nfs/dbraw/zinc/55/98/35/526559835.db2.gz CIEDPVZHCXNINZ-UHFFFAOYSA-N 1 1 289.350 3.489 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(F)cc1 ZINC000352789602 526559838 /nfs/dbraw/zinc/55/98/38/526559838.db2.gz CIEDPVZHCXNINZ-UHFFFAOYSA-N 1 1 289.350 3.489 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cccs1)[C@@H]1C=C[C@@H](CO)C1 ZINC000347380536 526569861 /nfs/dbraw/zinc/56/98/61/526569861.db2.gz SFNIWMXAURZKNB-ZIAGYGMSSA-N 1 1 263.406 3.063 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)s1 ZINC000291518037 526609613 /nfs/dbraw/zinc/60/96/13/526609613.db2.gz IWRFSFKEBSQIJZ-AWEZNQCLSA-N 1 1 258.390 3.384 20 30 CGEDMO C=CCOCCC[N@H+](C)Cc1cccc(Br)c1 ZINC000347961080 526747650 /nfs/dbraw/zinc/74/76/50/526747650.db2.gz GFKXULUWYVYTEU-UHFFFAOYSA-N 1 1 298.224 3.474 20 30 CGEDMO C=CCOCCC[N@@H+]1CC=C(c2cccc(OC)c2)CC1 ZINC000347960226 526750600 /nfs/dbraw/zinc/75/06/00/526750600.db2.gz FKIAYKSIXQOASG-UHFFFAOYSA-N 1 1 287.403 3.377 20 30 CGEDMO C=C(C)[C@H](N[C@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(F)c(F)c1 ZINC000480693048 526821629 /nfs/dbraw/zinc/82/16/29/526821629.db2.gz BMICZBUTZSYSHH-UVBJJODRSA-N 1 1 280.362 3.122 20 30 CGEDMO C=C(C)[C@H](N[C@H]1C[N@H+](C)C[C@@H]1C)c1ccc(F)c(F)c1 ZINC000480693048 526821632 /nfs/dbraw/zinc/82/16/32/526821632.db2.gz BMICZBUTZSYSHH-UVBJJODRSA-N 1 1 280.362 3.122 20 30 CGEDMO C=C(CC)C[N@@H+](CC(=O)N1CCCCCC1)C(C)C ZINC000353202464 526850558 /nfs/dbraw/zinc/85/05/58/526850558.db2.gz JVNIKYJRMMZQPF-UHFFFAOYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351937866 527192334 /nfs/dbraw/zinc/19/23/34/527192334.db2.gz SFCRYKPHORLEOJ-UHFFFAOYSA-N 1 1 264.325 3.001 20 30 CGEDMO CC(C)(C)C[C@H]1CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000356062360 527703957 /nfs/dbraw/zinc/70/39/57/527703957.db2.gz LEXVFJSNHRSIRD-GFCCVEGCSA-N 1 1 263.410 3.415 20 30 CGEDMO CC(C)CC[C@@H]1CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000356121147 527822200 /nfs/dbraw/zinc/82/22/00/527822200.db2.gz JBKXJGHGBIHGPQ-ZDUSSCGKSA-N 1 1 263.410 3.415 20 30 CGEDMO CCC[N@@H+](CC)C[C@@H](C)Nc1ncc(Cl)c(C)c1C#N ZINC000357774138 527992393 /nfs/dbraw/zinc/99/23/93/527992393.db2.gz JPTVAPVJYKKHDG-LLVKDONJSA-N 1 1 294.830 3.447 20 30 CGEDMO CCC[N@@H+](CC)Cc1ccc(C#N)cc1OC(F)F ZINC000437428652 528001240 /nfs/dbraw/zinc/00/12/40/528001240.db2.gz SWRYMKICOVLWKW-UHFFFAOYSA-N 1 1 268.307 3.392 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](OC)C1CC1 ZINC000425406579 528133003 /nfs/dbraw/zinc/13/30/03/528133003.db2.gz MTENMODYVBYGEQ-QGZVFWFLSA-N 1 1 272.392 3.195 20 30 CGEDMO CCC[C@]1(COC)CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000447380415 528527984 /nfs/dbraw/zinc/52/79/84/528527984.db2.gz DQFXVNWPYLZQTN-QGZVFWFLSA-N 1 1 290.382 3.478 20 30 CGEDMO CC1(C#N)CC[NH+](Cc2ccnn2C2CCCC2)CC1 ZINC000334655276 528840900 /nfs/dbraw/zinc/84/09/00/528840900.db2.gz PXYOHQYJSBSZJK-UHFFFAOYSA-N 1 1 272.396 3.124 20 30 CGEDMO CC(C)[N@@H+](CC[C@@H]1CCOC1)Cc1ccc(C#N)cc1 ZINC000437574849 528914123 /nfs/dbraw/zinc/91/41/23/528914123.db2.gz DHZUVBPXOPWVAL-QGZVFWFLSA-N 1 1 272.392 3.195 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(CC#N)cc2)[C@@H]1[C@@H]1CCCO1 ZINC000351968535 529124154 /nfs/dbraw/zinc/12/41/54/529124154.db2.gz QZLWBVPKJSHDFY-DLBZAZTESA-N 1 1 284.403 3.142 20 30 CGEDMO CC[C@H](C)[C@@H](C)[N@@H+](Cc1cc(C#N)n(C)c1)C1CC1 ZINC000191329506 535826433 /nfs/dbraw/zinc/82/64/33/535826433.db2.gz RGVQZKRBTTXBKM-QWHCGFSZSA-N 1 1 259.397 3.296 20 30 CGEDMO CCn1c2ccc(C)cc2[nH+]c1NCc1ccc(C#N)cc1 ZINC000460672389 535999643 /nfs/dbraw/zinc/99/96/43/535999643.db2.gz PKNVNVAHDZANEZ-UHFFFAOYSA-N 1 1 290.370 3.270 20 30 CGEDMO C=C(C)CNc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000729675684 571928684 /nfs/dbraw/zinc/92/86/84/571928684.db2.gz OWLDZHOXQUQCLS-AWEZNQCLSA-N 1 1 260.381 3.068 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CC[C@H](c3ccco3)C2)cc1 ZINC000732205954 572453006 /nfs/dbraw/zinc/45/30/06/572453006.db2.gz OKUVMWFGZSMWNW-HNNXBMFYSA-N 1 1 282.343 3.171 20 30 CGEDMO CC#CC[N@H+]1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000741781281 572526588 /nfs/dbraw/zinc/52/65/88/572526588.db2.gz RPRDVUHFDOYPNX-AWEZNQCLSA-N 1 1 263.768 3.207 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000741807510 572531453 /nfs/dbraw/zinc/53/14/53/572531453.db2.gz AETTYBLRIZJERG-QGZVFWFLSA-N 1 1 282.472 3.001 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(O)(c2cccc(C)c2C)CC1 ZINC000741809467 572531601 /nfs/dbraw/zinc/53/16/01/572531601.db2.gz ICFNHCHMSCZBPA-UHFFFAOYSA-N 1 1 279.811 3.339 20 30 CGEDMO N#Cc1nccnc1Nc1ccc([NH+]2CCCCCC2)cc1 ZINC000726591152 572587762 /nfs/dbraw/zinc/58/77/62/572587762.db2.gz FOMWVGQOLKLVQX-UHFFFAOYSA-N 1 1 293.374 3.472 20 30 CGEDMO CCCCCCCC(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000742841142 572621481 /nfs/dbraw/zinc/62/14/81/572621481.db2.gz JXEUJQMUJUCWHQ-OAHLLOKOSA-N 1 1 268.445 3.193 20 30 CGEDMO CCCCCCCCCNC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000734264467 572640995 /nfs/dbraw/zinc/64/09/95/572640995.db2.gz WMQJAJOMEKEEBR-HNNXBMFYSA-N 1 1 295.471 3.273 20 30 CGEDMO C#CC[N@@H+](CCc1ccc2c(c1)CCO2)C1CCCCC1 ZINC000743842531 572687082 /nfs/dbraw/zinc/68/70/82/572687082.db2.gz GWOYIQIIWKLOPC-UHFFFAOYSA-N 1 1 283.415 3.432 20 30 CGEDMO C[NH+]1CCN(N=C2CCCCc3ccc(Cl)cc32)CC1 ZINC000735224476 572707121 /nfs/dbraw/zinc/70/71/21/572707121.db2.gz SMBGNYQLYMRCRX-UHFFFAOYSA-N 1 1 291.826 3.018 20 30 CGEDMO N#CCSCCC[N@@H+](CCc1ccccc1)C1CC1 ZINC000745943106 572840941 /nfs/dbraw/zinc/84/09/41/572840941.db2.gz ZFIJQKMCTCGACY-UHFFFAOYSA-N 1 1 274.433 3.340 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+]1CCc2c(C)cccc2C1 ZINC000746515341 572876328 /nfs/dbraw/zinc/87/63/28/572876328.db2.gz LIZZALLTWQEZIQ-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCc2c(C)cccc2C1 ZINC000746515341 572876331 /nfs/dbraw/zinc/87/63/31/572876331.db2.gz LIZZALLTWQEZIQ-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO C#CC[N@@H+](CC)[C@H](C)C(=O)Nc1ccccc1[C@@H](C)CC ZINC000749154642 572990046 /nfs/dbraw/zinc/99/00/46/572990046.db2.gz FOTJIVMCOWYYDV-LSDHHAIUSA-N 1 1 286.419 3.482 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)C(=O)Nc1ccccc1[C@@H](C)CC ZINC000749154642 572990047 /nfs/dbraw/zinc/99/00/47/572990047.db2.gz FOTJIVMCOWYYDV-LSDHHAIUSA-N 1 1 286.419 3.482 20 30 CGEDMO CCC[N@@H+](Cc1ccnc(C#N)c1)Cc1ccccc1O ZINC000749513339 573014953 /nfs/dbraw/zinc/01/49/53/573014953.db2.gz BVIZKOUVBJSFEA-UHFFFAOYSA-N 1 1 281.359 3.071 20 30 CGEDMO CC(C)C[C@@H]1CCCCC[N@H+]1CCO[C@@H](C)C#N ZINC000801922814 630366574 /nfs/dbraw/zinc/36/65/74/630366574.db2.gz PLTPSNXHUCTCQZ-GJZGRUSLSA-N 1 1 252.402 3.206 20 30 CGEDMO C=C(CC)C[N@H+](CC)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000823878046 608309500 /nfs/dbraw/zinc/30/95/00/608309500.db2.gz NAAVIAISEPYWSQ-CYBMUJFWSA-N 1 1 285.395 3.216 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1C[C@]2(C)C[N@H+](C(C)C)C[C@]2(C)C1 ZINC000982429821 613244338 /nfs/dbraw/zinc/24/43/38/613244338.db2.gz TVHNGCPGCIXSQQ-HDICACEKSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[NH+]1CC(N(CC)C(=O)c2cc(C)c(C)o2)C1 ZINC000949887741 613246353 /nfs/dbraw/zinc/24/63/53/613246353.db2.gz MHIRRZXCINHCBH-UHFFFAOYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)C1=CCCC1 ZINC000968808994 613250754 /nfs/dbraw/zinc/25/07/54/613250754.db2.gz CJVBCBZEPPLDHB-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)C[C@H]2CCC[C@H]2C)CC1 ZINC000981226222 613252873 /nfs/dbraw/zinc/25/28/73/613252873.db2.gz AVFGKWACIGOJEW-IAGOWNOFSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)c2ccsc2C)CC1 ZINC000981124454 613255385 /nfs/dbraw/zinc/25/53/85/613255385.db2.gz NVQWFXQWZHTWSG-UHFFFAOYSA-N 1 1 292.448 3.171 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2(C)CC=CC2)C[C@@H]1C ZINC000947693553 613265334 /nfs/dbraw/zinc/26/53/34/613265334.db2.gz OEKVABBOHFSFDD-JKSUJKDBSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)(C)C2CC2)C1 ZINC000967917340 613268421 /nfs/dbraw/zinc/26/84/21/613268421.db2.gz GSUFLOOKMLZKGT-HOCLYGCPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2coc(C)c2)C[C@@H]1C ZINC000947239238 613272663 /nfs/dbraw/zinc/27/26/63/613272663.db2.gz BAKKENCGAVYMDZ-BBRMVZONSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)C2CC(C)(C)C2)C(C)(C)C1 ZINC000974572054 613273333 /nfs/dbraw/zinc/27/33/33/613273333.db2.gz XHQILVOPRHPKDO-OAHLLOKOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC=CCC2)C(C)(C)C1 ZINC000972801926 613274069 /nfs/dbraw/zinc/27/40/69/613274069.db2.gz HOENNTVOXRPDJL-JKSUJKDBSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)C)C[C@@H]2C1 ZINC000980221765 613278719 /nfs/dbraw/zinc/27/87/19/613278719.db2.gz CHFJRTQDWOWDDM-ARFHVFGLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)C2CCCCCCC2)C1 ZINC000971914444 613283057 /nfs/dbraw/zinc/28/30/57/613283057.db2.gz KCRJIKVZFCPDFT-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)C2(CC)CCCC2)C1 ZINC000972645754 613287974 /nfs/dbraw/zinc/28/79/74/613287974.db2.gz XNXMSAPGDSHIFU-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC=CCC1 ZINC000968744094 613306223 /nfs/dbraw/zinc/30/62/23/613306223.db2.gz DAHFPFASYKFFMY-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC1(C)C ZINC000968994647 613306897 /nfs/dbraw/zinc/30/68/97/613306897.db2.gz XEVMJWWYZWDOBJ-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)C2(C3CCC3)CCC2)CC1 ZINC000981701225 613307826 /nfs/dbraw/zinc/30/78/26/613307826.db2.gz GSOSDFBLRGXKNC-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)c2occc2C(C)C)CC1 ZINC000981809863 613313529 /nfs/dbraw/zinc/31/35/29/613313529.db2.gz PKXHOPQBNRTQRO-UHFFFAOYSA-N 1 1 290.407 3.127 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)C2(F)CCCC2)CC1 ZINC000948570202 613313745 /nfs/dbraw/zinc/31/37/45/613313745.db2.gz IKLLMNWDQYZUJW-OAHLLOKOSA-N 1 1 296.430 3.158 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC23CCC3)CC1 ZINC000948816902 613314196 /nfs/dbraw/zinc/31/41/96/613314196.db2.gz PKLUJAGOCFGMSB-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC000965859071 613323716 /nfs/dbraw/zinc/32/37/16/613323716.db2.gz GMKLSQHPZHRSNV-KGLIPLIRSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2sccc2C)C1 ZINC000964685446 613325038 /nfs/dbraw/zinc/32/50/38/613325038.db2.gz PECJYNNBBPURHN-OCCSQVGLSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C2CC2)C(C)(C)C1 ZINC000940955308 613326385 /nfs/dbraw/zinc/32/63/85/613326385.db2.gz VAOCTWMOQLTKGF-OAHLLOKOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2C(C)(C)C2(C)C)C[C@H]1C ZINC000947174418 613327095 /nfs/dbraw/zinc/32/70/95/613327095.db2.gz KYVBYLUMBQILEO-ZIAGYGMSSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C=C2CCCCC2)[C@H](C)C1 ZINC000941873858 613327119 /nfs/dbraw/zinc/32/71/19/613327119.db2.gz IWYXFDNKPRWKMW-NVXWUHKLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2CC3(CCC3)C2)C[C@@H]1C ZINC000947624936 613327163 /nfs/dbraw/zinc/32/71/63/613327163.db2.gz ONFQPYOZJXGLJL-GOEBONIOSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)c(C)o2)C[C@H]1C ZINC000947200970 613329039 /nfs/dbraw/zinc/32/90/39/613329039.db2.gz UMWISIJXSSULIE-UKRRQHHQSA-N 1 1 290.407 3.055 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2occc2Cl)C[C@@H]1C ZINC000947683396 613331819 /nfs/dbraw/zinc/33/18/19/613331819.db2.gz AHDBBYCENMGWTP-NWDGAFQWSA-N 1 1 296.798 3.092 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC000965859070 613332168 /nfs/dbraw/zinc/33/21/68/613332168.db2.gz GMKLSQHPZHRSNV-KBPBESRZSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C)s2)C[C@H]1C ZINC000947000250 613336009 /nfs/dbraw/zinc/33/60/09/613336009.db2.gz GOSQVAASJQAELF-OCCSQVGLSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000961261501 613337469 /nfs/dbraw/zinc/33/74/69/613337469.db2.gz ARFQUUMNRNXYFO-HOTGVXAUSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C(C)(C)C1 ZINC000975059953 613338096 /nfs/dbraw/zinc/33/80/96/613338096.db2.gz XYRXNCFKXVTHPD-BZUAXINKSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)C2(C)CCCCC2)C(C)(C)C1 ZINC000975004731 613341107 /nfs/dbraw/zinc/34/11/07/613341107.db2.gz HWQTZMFHNUJIIT-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CCC[N@H+](CC=C(C)C)CC1 ZINC000981242095 613367618 /nfs/dbraw/zinc/36/76/18/613367618.db2.gz BFJGIXNAHBIWEK-UHFFFAOYSA-N 1 1 298.858 3.266 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC2CCCC2)[C@@H](C)C1 ZINC000941766998 613378455 /nfs/dbraw/zinc/37/84/55/613378455.db2.gz CHLUPKRELKQVCH-WFASDCNBSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC2CCCC2)[C@@H](C)C1 ZINC000941766998 613378456 /nfs/dbraw/zinc/37/84/56/613378456.db2.gz CHLUPKRELKQVCH-WFASDCNBSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2C[N@H+](C[C@@H](C)CC)CC2(C)C)C1 ZINC000975025776 613401671 /nfs/dbraw/zinc/40/16/71/613401671.db2.gz KFWDWQAEBMHGOQ-ZFWWWQNUSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[N@H+](CC(C)C)C[C@H]2C)CC1 ZINC000942600774 613412067 /nfs/dbraw/zinc/41/20/67/613412067.db2.gz UUUCKQSVYJGSFV-WBVHZDCISA-N 1 1 292.467 3.215 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2C[N@H+](CC(C)C)CC2(C)C)CC1 ZINC000975013712 613412848 /nfs/dbraw/zinc/41/28/48/613412848.db2.gz UWAGOYDRKHCHON-INIZCTEOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC(C)(C)C(=O)N1C[C@]2(C)C[N@H+](CCCC)C[C@]2(C)C1 ZINC000982433676 613444066 /nfs/dbraw/zinc/44/40/66/613444066.db2.gz XCCFEJKLZBTZMV-HDICACEKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC000957305143 613477539 /nfs/dbraw/zinc/47/75/39/613477539.db2.gz YXFZTTMZNIEQCN-WKILWMFISA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[C@H]2CCC)C1 ZINC000950677963 613478510 /nfs/dbraw/zinc/47/85/10/613478510.db2.gz MQMAQFBMNWLUFM-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC12CCC2 ZINC000969054170 613490668 /nfs/dbraw/zinc/49/06/68/613490668.db2.gz RFBQQIKNVVLFDN-HZPDHXFCSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)C(C)(C)C(C)(C)C)CC1 ZINC000981757503 613491674 /nfs/dbraw/zinc/49/16/74/613491674.db2.gz WVWIKTQEQWEFCI-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2(C)CC2)C1 ZINC000963308433 613501356 /nfs/dbraw/zinc/50/13/56/613501356.db2.gz DUQLRAUJKYSFSY-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C2CCCCCC2)C1 ZINC000965475890 613515371 /nfs/dbraw/zinc/51/53/71/613515371.db2.gz KRKHUHUNYBJAEX-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)cs2)C1 ZINC000965999881 613515896 /nfs/dbraw/zinc/51/58/96/613515896.db2.gz HYTWPEUCIRVEBU-KGLIPLIRSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C(F)=C2CCCC2)C[C@H]1C ZINC000947195972 613519333 /nfs/dbraw/zinc/51/93/33/613519333.db2.gz OYACPJLWIKNQPI-UKRRQHHQSA-N 1 1 294.414 3.329 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C2(F)CCCCC2)C[C@H]1C ZINC000947900688 613519416 /nfs/dbraw/zinc/51/94/16/613519416.db2.gz UTACAHFJDCGBCI-HUUCEWRRSA-N 1 1 296.430 3.204 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2CC3(CCC3)C2)C[C@H]1C ZINC000947624890 613534428 /nfs/dbraw/zinc/53/44/28/613534428.db2.gz NYEPTEAXFRTGCI-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)c2ccccc2)C(C)(C)C1 ZINC000940538430 613539084 /nfs/dbraw/zinc/53/90/84/613539084.db2.gz OBVRGAFYQIWHKQ-INIZCTEOSA-N 1 1 286.419 3.093 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)c2cccc(C)c2)[C@@H](C)C1 ZINC000941776816 613539118 /nfs/dbraw/zinc/53/91/18/613539118.db2.gz LMAURNNOBBDAQC-RDJZCZTQSA-N 1 1 286.419 3.011 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2sccc2F)C[C@@H]1C ZINC000947285291 613542798 /nfs/dbraw/zinc/54/27/98/613542798.db2.gz DEFXXUJYIWHWSL-RYUDHWBXSA-N 1 1 296.411 3.046 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](NC(=O)C2(C)CCCCC2)C(C)(C)C1 ZINC000975002571 613543606 /nfs/dbraw/zinc/54/36/06/613543606.db2.gz DDBJRVIWLFLIHF-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCC2(C)C)C(C)(C)C1 ZINC000974935274 613554812 /nfs/dbraw/zinc/55/48/12/613554812.db2.gz MGOMWRKANOAKSD-GJZGRUSLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)CC)CC[C@@H]2C1 ZINC000946739915 613558633 /nfs/dbraw/zinc/55/86/33/613558633.db2.gz HSSOBOPDHBZWHI-IYBDPMFKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CCCC(C)(C)C2)C1 ZINC000972732202 613613420 /nfs/dbraw/zinc/61/34/20/613613420.db2.gz ISXUBKATXHJBQP-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)c2cc3cc(C)ccc3o2)C1 ZINC000980483255 613620626 /nfs/dbraw/zinc/62/06/26/613620626.db2.gz LQRUZMFHJIDSLN-OAHLLOKOSA-N 1 1 298.386 3.074 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@]2(C)CCC(C)=C(C)C2)C1 ZINC000980514011 613634247 /nfs/dbraw/zinc/63/42/47/613634247.db2.gz CDWRTTLAFPPJAC-FUHWJXTLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cc(C)cs1 ZINC000968850242 613683924 /nfs/dbraw/zinc/68/39/24/613683924.db2.gz SYMUJNQCRBACPV-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CC[N@H+]1CCCCC[C@H]1CNC(=O)C1CCCCC1 ZINC000968718666 613685421 /nfs/dbraw/zinc/68/54/21/613685421.db2.gz AUPDXXSCFYVDHG-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccccc1C ZINC000968735785 613686715 /nfs/dbraw/zinc/68/67/15/613686715.db2.gz RFESBVQEZZMTNH-INIZCTEOSA-N 1 1 286.419 3.155 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1sccc1C ZINC000968715606 613687885 /nfs/dbraw/zinc/68/78/85/613687885.db2.gz APUQKBCBWWEJHI-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCCC2(C)C)CC1 ZINC000948692424 613700997 /nfs/dbraw/zinc/70/09/97/613700997.db2.gz CIMVGJRVBZTIIO-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(CC)CC)C1 ZINC000963252670 613703453 /nfs/dbraw/zinc/70/34/53/613703453.db2.gz XDJQSLPEKTWFBZ-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C(C)=C2CCCC2)C(C)(C)C1 ZINC000940664932 613740679 /nfs/dbraw/zinc/74/06/79/613740679.db2.gz PIVZYAQKCMXIAE-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C2C(C)(C)C2(C)C)C(C)(C)C1 ZINC000940656280 613741234 /nfs/dbraw/zinc/74/12/34/613741234.db2.gz BLRNAOPRFVJGRO-CYBMUJFWSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2C=CCCC2)C(C)(C)C1 ZINC000940835807 613781392 /nfs/dbraw/zinc/78/13/92/613781392.db2.gz DMHGBCMNSGXZPS-CVEARBPZSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C3CC3)c2)C[C@@H]1C ZINC000948078863 613791295 /nfs/dbraw/zinc/79/12/95/613791295.db2.gz PICJWNZVPNUQMC-KSSFIOAISA-N 1 1 298.430 3.333 20 30 CGEDMO C[C@H](CC(C)(C)C#N)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000924765368 620731344 /nfs/dbraw/zinc/73/13/44/620731344.db2.gz LTODGBKCCLPHIS-KFWWJZLASA-N 1 1 265.445 3.025 20 30 CGEDMO C[C@H](CC(C)(C)C#N)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000924765368 620731347 /nfs/dbraw/zinc/73/13/47/620731347.db2.gz LTODGBKCCLPHIS-KFWWJZLASA-N 1 1 265.445 3.025 20 30 CGEDMO C#CC[N@H+](Cc1nc2ccccc2n1C(F)F)C(C)C ZINC000932390796 617716702 /nfs/dbraw/zinc/71/67/02/617716702.db2.gz CWGLMOARZDZIOT-UHFFFAOYSA-N 1 1 277.318 3.275 20 30 CGEDMO C#CC[N@@H+](Cc1nc2ccccc2n1C(F)F)C(C)C ZINC000932390796 617716710 /nfs/dbraw/zinc/71/67/10/617716710.db2.gz CWGLMOARZDZIOT-UHFFFAOYSA-N 1 1 277.318 3.275 20 30 CGEDMO C#CCCCCCC[N@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932600597 617852815 /nfs/dbraw/zinc/85/28/15/617852815.db2.gz DABIKZSGLAXWBK-UHFFFAOYSA-N 1 1 271.408 3.160 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccccc2C)C1 ZINC001021510299 618017413 /nfs/dbraw/zinc/01/74/13/618017413.db2.gz YDTGZZRJTRWONJ-FUHWJXTLSA-N 1 1 298.430 3.108 20 30 CGEDMO CCCCCCCCCN(C)C(=O)Cc1c[nH]cn1 ZINC000900320104 620780276 /nfs/dbraw/zinc/78/02/76/620780276.db2.gz ASHLRGNXTSDZKH-UHFFFAOYSA-N 1 1 265.401 3.161 20 30 CGEDMO C[C@H]1CC[N@@H+](CCCOc2ccc(C#N)cc2)[C@H]1C ZINC000248356974 618167588 /nfs/dbraw/zinc/16/75/88/618167588.db2.gz OYWTZCVDYQKFKT-KBPBESRZSA-N 1 1 258.365 3.057 20 30 CGEDMO N#CCCOCC[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000933818917 618335184 /nfs/dbraw/zinc/33/51/84/618335184.db2.gz LEGSZYGJZJNAHB-UHFFFAOYSA-N 1 1 295.386 3.187 20 30 CGEDMO CC[N@H+](CCC(F)(F)F)Cc1csc(C#N)c1 ZINC000891861584 618346128 /nfs/dbraw/zinc/34/61/28/618346128.db2.gz HXJSHULTVHPDJO-UHFFFAOYSA-N 1 1 262.300 3.394 20 30 CGEDMO CC[N@@H+](CCC(F)(F)F)Cc1csc(C#N)c1 ZINC000891861584 618346135 /nfs/dbraw/zinc/34/61/35/618346135.db2.gz HXJSHULTVHPDJO-UHFFFAOYSA-N 1 1 262.300 3.394 20 30 CGEDMO C[C@H]1Cc2cc(C[N@H+](CCC#N)CC3CC3)ccc2O1 ZINC000891937308 618394919 /nfs/dbraw/zinc/39/49/19/618394919.db2.gz GWXUWFZPQMDDGZ-ZDUSSCGKSA-N 1 1 270.376 3.136 20 30 CGEDMO C[C@H]1Cc2cc(C[N@@H+](CCC#N)CC3CC3)ccc2O1 ZINC000891937308 618394923 /nfs/dbraw/zinc/39/49/23/618394923.db2.gz GWXUWFZPQMDDGZ-ZDUSSCGKSA-N 1 1 270.376 3.136 20 30 CGEDMO C=C1CC[NH+](Cc2cnc(CC(F)(F)F)s2)CC1 ZINC000891944041 618400708 /nfs/dbraw/zinc/40/07/08/618400708.db2.gz WLEVGHYFXKBUFS-UHFFFAOYSA-N 1 1 276.327 3.400 20 30 CGEDMO Cc1oc(-c2ccccc2)nc1CO[NH+]=C(N)CC(C)C ZINC000065204295 618450999 /nfs/dbraw/zinc/45/09/99/618450999.db2.gz UAYRDQAGAHGXCG-UHFFFAOYSA-N 1 1 287.363 3.485 20 30 CGEDMO Cc1cc(F)c(C#N)c(N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000892152768 618560694 /nfs/dbraw/zinc/56/06/94/618560694.db2.gz XVNCVLLSVVRXBQ-UHFFFAOYSA-N 1 1 284.338 3.113 20 30 CGEDMO C[C@@H]1CSCCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000934297185 618580093 /nfs/dbraw/zinc/58/00/93/618580093.db2.gz BIPIWCUBLXKWQP-CYBMUJFWSA-N 1 1 260.406 3.080 20 30 CGEDMO Cc1cc(C[N@@H+]2CCCSC[C@H]2C)ccc1C#N ZINC000934299557 618581300 /nfs/dbraw/zinc/58/13/00/618581300.db2.gz WNLWDPVNNDXTHW-CYBMUJFWSA-N 1 1 260.406 3.194 20 30 CGEDMO C[C@H]1c2cccn2CC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000051498876 618603289 /nfs/dbraw/zinc/60/32/89/618603289.db2.gz CJSILRDZSOKBLZ-HNNXBMFYSA-N 1 1 295.386 3.205 20 30 CGEDMO C[C@H]1c2cccn2CC[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC000051498876 618603295 /nfs/dbraw/zinc/60/32/95/618603295.db2.gz CJSILRDZSOKBLZ-HNNXBMFYSA-N 1 1 295.386 3.205 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000934460481 618623011 /nfs/dbraw/zinc/62/30/11/618623011.db2.gz JMPYOKKZOKQYSY-BXUZGUMPSA-N 1 1 269.747 3.163 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1cncn1Cc1ccccc1 ZINC000934462274 618623787 /nfs/dbraw/zinc/62/37/87/618623787.db2.gz RIHPAANDYCSYGB-MRXNPFEDSA-N 1 1 267.376 3.082 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000934473496 618628197 /nfs/dbraw/zinc/62/81/97/618628197.db2.gz WQEZIBLGYQEAHS-LLVKDONJSA-N 1 1 298.839 3.010 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000934473496 618628199 /nfs/dbraw/zinc/62/81/99/618628199.db2.gz WQEZIBLGYQEAHS-LLVKDONJSA-N 1 1 298.839 3.010 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCOC[C@]1(C)C1CC1 ZINC000934480291 618630627 /nfs/dbraw/zinc/63/06/27/618630627.db2.gz XGZCLFBXHDCXNW-MRXNPFEDSA-N 1 1 264.413 3.207 20 30 CGEDMO C=CCOc1ccc(C[NH2+][C@@H](C)c2cc(OC)no2)cc1 ZINC000926399301 618632040 /nfs/dbraw/zinc/63/20/40/618632040.db2.gz ADKWTGPXGBVRMH-LBPRGKRZSA-N 1 1 288.347 3.099 20 30 CGEDMO CC([NH2+]Nc1ccc(F)c([N+](=O)[O-])c1)=C1CC1(F)F ZINC000841634913 618726991 /nfs/dbraw/zinc/72/69/91/618726991.db2.gz XYGLYKBGRKZKST-QMMMGPOBSA-N 1 1 273.214 3.177 20 30 CGEDMO Oc1ccccc1/C=N\CCC[N@H+]1CCc2ccccc2C1 ZINC000255630127 618769048 /nfs/dbraw/zinc/76/90/48/618769048.db2.gz FSMBSEDZCWOXRK-ZHZULCJRSA-N 1 1 294.398 3.260 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(=O)oc2cc(OC)ccc12 ZINC000072553271 625299279 /nfs/dbraw/zinc/29/92/79/625299279.db2.gz QUCOVOWSXGONJF-UHFFFAOYSA-N 1 1 287.359 3.200 20 30 CGEDMO Cc1cc(F)c(C#N)c(N[C@H](C)C2=CC[N@@H+](C)CC2)c1 ZINC000893116995 618999222 /nfs/dbraw/zinc/99/92/22/618999222.db2.gz NSJICKRPHAAJRQ-GFCCVEGCSA-N 1 1 273.355 3.068 20 30 CGEDMO C=C(Br)C[NH2+]C1(c2ccc(OC)cc2)CC1 ZINC000309854152 619007932 /nfs/dbraw/zinc/00/79/32/619007932.db2.gz JWIMLVQWHDMFET-UHFFFAOYSA-N 1 1 282.181 3.183 20 30 CGEDMO C[C@H](CC(C)(C)C#N)[NH2+]Cc1nnc(C(C)(C)C)s1 ZINC000925516658 619010473 /nfs/dbraw/zinc/01/04/73/619010473.db2.gz IJTYUYZSDHGESS-SNVBAGLBSA-N 1 1 280.441 3.254 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)CC2CCCCC2)C1 ZINC001006670501 619149892 /nfs/dbraw/zinc/14/98/92/619149892.db2.gz YEDQOJPGVXJZHY-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)Cc2c[nH]nc21 ZINC000931461458 619168912 /nfs/dbraw/zinc/16/89/12/619168912.db2.gz UAFUSSLEEWKNKB-GFCCVEGCSA-N 1 1 260.385 3.049 20 30 CGEDMO C[N@@H+](CCCCC1(C#N)CCC1)[C@@H]1CCC[C@@H]1C#N ZINC000931473871 619179052 /nfs/dbraw/zinc/17/90/52/619179052.db2.gz BXHORUBICIUMHI-HUUCEWRRSA-N 1 1 259.397 3.475 20 30 CGEDMO C[N@H+](C[C@@H]1CCCC2(CCC2)O1)[C@@H]1CCC[C@@H]1C#N ZINC000931476671 619181582 /nfs/dbraw/zinc/18/15/82/619181582.db2.gz QOUWRHNWYDRNHB-QLFBSQMISA-N 1 1 262.397 3.102 20 30 CGEDMO C[N@@H+](C[C@@H]1CCCC2(CCC2)O1)[C@@H]1CCC[C@@H]1C#N ZINC000931476671 619181583 /nfs/dbraw/zinc/18/15/83/619181583.db2.gz QOUWRHNWYDRNHB-QLFBSQMISA-N 1 1 262.397 3.102 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1cc(C)nc2c1CCCC2 ZINC000893605278 619235124 /nfs/dbraw/zinc/23/51/24/619235124.db2.gz FYXIPCSMXXIHIL-AWEZNQCLSA-N 1 1 257.381 3.051 20 30 CGEDMO CC(C)[N@H+](CCC#N)Cc1cccc2c1NCCC2 ZINC000893959739 619340632 /nfs/dbraw/zinc/34/06/32/619340632.db2.gz OLNLDRJTEHAZQA-UHFFFAOYSA-N 1 1 257.381 3.169 20 30 CGEDMO CC(C)[N@@H+](CCC#N)Cc1cccc2c1NCCC2 ZINC000893959739 619340634 /nfs/dbraw/zinc/34/06/34/619340634.db2.gz OLNLDRJTEHAZQA-UHFFFAOYSA-N 1 1 257.381 3.169 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1ocnc1C ZINC000893975630 619342990 /nfs/dbraw/zinc/34/29/90/619342990.db2.gz DMBQZUOKTCQJOX-UHFFFAOYSA-N 1 1 256.349 3.214 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1cn(CC)nc1-c1ccccc1 ZINC000894468760 619547125 /nfs/dbraw/zinc/54/71/25/619547125.db2.gz CNWYYBQLQNXJGG-MRXNPFEDSA-N 1 1 282.391 3.352 20 30 CGEDMO C[N@H+]1CCN(Cc2csc(C#N)c2)c2ccccc2C1 ZINC000894600534 619583712 /nfs/dbraw/zinc/58/37/12/619583712.db2.gz BTHRACBMWPSVKM-UHFFFAOYSA-N 1 1 283.400 3.072 20 30 CGEDMO N#Cc1cc(C[NH+]2CC(Cc3ccc(F)cc3)C2)cs1 ZINC000894826517 619645080 /nfs/dbraw/zinc/64/50/80/619645080.db2.gz YILNUJSNHJSSJR-UHFFFAOYSA-N 1 1 286.375 3.433 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCSC[C@@H]2C2CCC2)cs1 ZINC000894962588 619688729 /nfs/dbraw/zinc/68/87/29/619688729.db2.gz WUWJBFSKPHPWLW-CQSZACIVSA-N 1 1 278.446 3.337 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)cs1 ZINC000895088201 619723202 /nfs/dbraw/zinc/72/32/02/619723202.db2.gz NQXCQQIUSCTERW-HNNXBMFYSA-N 1 1 284.384 3.273 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@@H](c3cccnc3)C2)cs1 ZINC000895099139 619728290 /nfs/dbraw/zinc/72/82/90/619728290.db2.gz YIDQNBXHQCHGBM-CQSZACIVSA-N 1 1 269.373 3.004 20 30 CGEDMO C#CCOc1ccccc1C[NH2+]Cc1ccccc1OCC ZINC000067217329 619743522 /nfs/dbraw/zinc/74/35/22/619743522.db2.gz COKPKQAPJZLZKQ-UHFFFAOYSA-N 1 1 295.382 3.387 20 30 CGEDMO CSCCON=C(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000794574769 619769028 /nfs/dbraw/zinc/76/90/28/619769028.db2.gz OWJQJSZRGOPMRF-INIZCTEOSA-N 1 1 292.448 3.264 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000895250173 619790902 /nfs/dbraw/zinc/79/09/02/619790902.db2.gz DRYAUTIYCQAVLV-LBPRGKRZSA-N 1 1 271.364 3.057 20 30 CGEDMO C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000895380030 619817492 /nfs/dbraw/zinc/81/74/92/619817492.db2.gz XCIBOXLKRHMLEA-QAPCUYQASA-N 1 1 285.435 3.110 20 30 CGEDMO C[N@H+](Cc1ccns1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000895452823 619832226 /nfs/dbraw/zinc/83/22/26/619832226.db2.gz XXMWSAIAHORTJJ-UHFFFAOYSA-N 1 1 283.400 3.330 20 30 CGEDMO C[N@@H+](Cc1ccns1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000895452823 619832228 /nfs/dbraw/zinc/83/22/28/619832228.db2.gz XXMWSAIAHORTJJ-UHFFFAOYSA-N 1 1 283.400 3.330 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CC[C@H](c3ccc(O)cc3)C2)cs1 ZINC000895667075 619868446 /nfs/dbraw/zinc/86/84/46/619868446.db2.gz YBLYPNGYMVNGPD-AWEZNQCLSA-N 1 1 284.384 3.315 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3C[C@@H]4CSC[C@@H]4C3)cc2)CC1 ZINC000895777792 619884236 /nfs/dbraw/zinc/88/42/36/619884236.db2.gz ZXNWLOCCXRTIHW-GASCZTMLSA-N 1 1 284.428 3.037 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000896227744 619970446 /nfs/dbraw/zinc/97/04/46/619970446.db2.gz NWZIOHDMAWPKOM-QWRGUYRKSA-N 1 1 278.293 3.293 20 30 CGEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)c2cccs2)CC1 ZINC000985230680 620141355 /nfs/dbraw/zinc/14/13/55/620141355.db2.gz IXCDHTUOXXWUMM-UHFFFAOYSA-N 1 1 298.839 3.037 20 30 CGEDMO C#Cc1ccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000897136053 620151112 /nfs/dbraw/zinc/15/11/12/620151112.db2.gz GPKNDMMMNCKRFW-KGLIPLIRSA-N 1 1 274.795 3.360 20 30 CGEDMO C=CCC[N@H+](CC(C)C)C[C@@H](O)c1ccc(F)cc1 ZINC000121295460 620174633 /nfs/dbraw/zinc/17/46/33/620174633.db2.gz HSAPSKCWFTYYQM-MRXNPFEDSA-N 1 1 265.372 3.393 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)CC2(C)CCCC2)CC1 ZINC000985414768 620182205 /nfs/dbraw/zinc/18/22/05/620182205.db2.gz LEPVYUPUEXTGAR-UHFFFAOYSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)C23CCC(CC2)CC3)CC1 ZINC000985800281 620240276 /nfs/dbraw/zinc/24/02/76/620240276.db2.gz TUOCQTOHSVGUOT-UHFFFAOYSA-N 1 1 290.451 3.066 20 30 CGEDMO CCCCCC[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000109938224 620329065 /nfs/dbraw/zinc/32/90/65/620329065.db2.gz ZZECMCWRCFKYFE-UHFFFAOYSA-N 1 1 273.380 3.009 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1ccc2nccnc2c1 ZINC000898244617 620496620 /nfs/dbraw/zinc/49/66/20/620496620.db2.gz MYYBBQFKUZNTHF-UHFFFAOYSA-N 1 1 255.365 3.418 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1c(C(F)(F)F)cnn1C ZINC000898244109 620496893 /nfs/dbraw/zinc/49/68/93/620496893.db2.gz CVESUZKLFWCNFP-UHFFFAOYSA-N 1 1 275.318 3.227 20 30 CGEDMO C=CC[N@H+]1CCCN(C(=O)c2cccc(C3CCC3)c2)CC1 ZINC000989482766 620514280 /nfs/dbraw/zinc/51/42/80/620514280.db2.gz HWQKCQGSXBFLOA-UHFFFAOYSA-N 1 1 298.430 3.288 20 30 CGEDMO CC[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1nccs1 ZINC000080262739 620535972 /nfs/dbraw/zinc/53/59/72/620535972.db2.gz KKGXIMPFRGQNSS-CQSZACIVSA-N 1 1 287.388 3.286 20 30 CGEDMO Cc1nc2c(o1)CCC[C@H]2[NH2+]Cc1cccc(C#N)c1 ZINC000924638541 620552673 /nfs/dbraw/zinc/55/26/73/620552673.db2.gz CMGYTLCVLURYOB-CQSZACIVSA-N 1 1 267.332 3.022 20 30 CGEDMO C[C@@H]([NH2+][C@@H]1CCCc2cccnc21)c1cc(C#N)ccn1 ZINC000927062398 620569498 /nfs/dbraw/zinc/56/94/98/620569498.db2.gz MFSFTXJCRAQGHH-IUODEOHRSA-N 1 1 278.359 3.076 20 30 CGEDMO C=CC[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccncc1 ZINC000902318170 621241058 /nfs/dbraw/zinc/24/10/58/621241058.db2.gz NRUWEXGVMXMHII-HOTGVXAUSA-N 1 1 273.424 3.067 20 30 CGEDMO CC(C)C[N@@H+](CCO[C@H](C)C#N)CCc1ccccc1 ZINC000801915212 621337941 /nfs/dbraw/zinc/33/79/41/621337941.db2.gz IOWBJJQIQHADQB-MRXNPFEDSA-N 1 1 274.408 3.116 20 30 CGEDMO CCN(C)c1ccccc1C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902796402 621451278 /nfs/dbraw/zinc/45/12/78/621451278.db2.gz POJYIGVWZANBBQ-CQSZACIVSA-N 1 1 294.402 3.260 20 30 CGEDMO CC[C@H](NCC[N@@H+]1CCC[C@H]1C)c1cccc(C#N)c1 ZINC000902825355 621456935 /nfs/dbraw/zinc/45/69/35/621456935.db2.gz LWRWDASRKYCHMA-PBHICJAKSA-N 1 1 271.408 3.083 20 30 CGEDMO CC[C@H](NCC[N@H+]1CCC[C@H]1C)c1cccc(C#N)c1 ZINC000902825355 621456937 /nfs/dbraw/zinc/45/69/37/621456937.db2.gz LWRWDASRKYCHMA-PBHICJAKSA-N 1 1 271.408 3.083 20 30 CGEDMO CC[C@H](N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(C#N)c1 ZINC000902832007 621466295 /nfs/dbraw/zinc/46/62/95/621466295.db2.gz HXHOMAZBBYGVDR-KURKYZTESA-N 1 1 285.435 3.472 20 30 CGEDMO CC[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(C#N)c1 ZINC000902832005 621466590 /nfs/dbraw/zinc/46/65/90/621466590.db2.gz HXHOMAZBBYGVDR-BZSNNMDCSA-N 1 1 285.435 3.472 20 30 CGEDMO CC[C@@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1cccc(C#N)c1 ZINC000902882402 621482753 /nfs/dbraw/zinc/48/27/53/621482753.db2.gz UUVSHAMVQVJGAO-HZPDHXFCSA-N 1 1 280.375 3.400 20 30 CGEDMO C[C@@H]([NH2+][C@@H]1CCOc2c(F)cccc21)c1cc(C#N)ccn1 ZINC000902965926 621500653 /nfs/dbraw/zinc/50/06/53/621500653.db2.gz AMQBEAYXGQMKMA-IAQYHMDHSA-N 1 1 297.333 3.267 20 30 CGEDMO CCSc1cc(C[NH2+][C@H](C)c2cc(C#N)ccn2)ccn1 ZINC000902963374 621508216 /nfs/dbraw/zinc/50/82/16/621508216.db2.gz PKTVNGDLKPZWKR-GFCCVEGCSA-N 1 1 298.415 3.311 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CCC1)c1ccccc1N(C)C ZINC000903033475 621536413 /nfs/dbraw/zinc/53/64/13/621536413.db2.gz VANLBAXKYOUWCF-CYBMUJFWSA-N 1 1 257.381 3.097 20 30 CGEDMO CC[C@H]([NH2+]CC(C)(C)C#N)c1ccc(F)cc1O ZINC000903101577 621574738 /nfs/dbraw/zinc/57/47/38/621574738.db2.gz JDUUMKZJJGFPQZ-LBPRGKRZSA-N 1 1 250.317 3.122 20 30 CGEDMO C[C@@H]([NH2+]CC(C)(C)C#N)c1cc(-c2ccccc2)nn1C ZINC000903102242 621575669 /nfs/dbraw/zinc/57/56/69/621575669.db2.gz VIKKLIVKZOGSMH-CYBMUJFWSA-N 1 1 282.391 3.287 20 30 CGEDMO N#CC1(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000903105506 621578674 /nfs/dbraw/zinc/57/86/74/621578674.db2.gz CZTFSKFNCGJQSR-CQSZACIVSA-N 1 1 268.360 3.326 20 30 CGEDMO COc1ccc([C@@H](C)[NH2+]CC2(C#N)CCCC2)cc1O ZINC000903109904 621583343 /nfs/dbraw/zinc/58/33/43/621583343.db2.gz XAHZLMIWYWJIIO-GFCCVEGCSA-N 1 1 274.364 3.135 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1cccc(C#N)c1 ZINC000903109748 621583792 /nfs/dbraw/zinc/58/37/92/621583792.db2.gz UJAQENKSUAEMFA-CYBMUJFWSA-N 1 1 253.349 3.293 20 30 CGEDMO Cc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1C#N ZINC000903223938 621634865 /nfs/dbraw/zinc/63/48/65/621634865.db2.gz NBDOOLAGHOJUSY-JLYLLQBASA-N 1 1 295.430 3.114 20 30 CGEDMO Cc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1C#N ZINC000903223938 621634867 /nfs/dbraw/zinc/63/48/67/621634867.db2.gz NBDOOLAGHOJUSY-JLYLLQBASA-N 1 1 295.430 3.114 20 30 CGEDMO COc1ccc([C@H](C)[NH2+]Cc2nc(C#N)cs2)c(C)c1 ZINC000903262388 621647921 /nfs/dbraw/zinc/64/79/21/621647921.db2.gz DTRCQAUNOIBCPQ-NSHDSACASA-N 1 1 287.388 3.183 20 30 CGEDMO CCC[C@H]([NH2+]Cc1nc(C#N)cs1)c1cccnc1 ZINC000903263496 621648609 /nfs/dbraw/zinc/64/86/09/621648609.db2.gz NKSSKAJVVBQUPK-ZDUSSCGKSA-N 1 1 272.377 3.041 20 30 CGEDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1Nc1ccc(CCC#N)cc1 ZINC000903298107 621666543 /nfs/dbraw/zinc/66/65/43/621666543.db2.gz NLUPXIUEEHRMET-CXAGYDPISA-N 1 1 269.392 3.037 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2cc3[nH]cnc3c(C)c2)no1 ZINC000904613476 621945806 /nfs/dbraw/zinc/94/58/06/621945806.db2.gz VAJZPSMGMKRISZ-GFCCVEGCSA-N 1 1 297.362 3.277 20 30 CGEDMO C=CCC(C)(C)c1noc([C@@H]([NH3+])C[C@@H](C)CC)n1 ZINC000904725585 621959294 /nfs/dbraw/zinc/95/92/94/621959294.db2.gz ZRZGRQDSRDELEY-QWRGUYRKSA-N 1 1 251.374 3.359 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(-c2cccc(SC)n2)no1 ZINC000904732293 621967993 /nfs/dbraw/zinc/96/79/93/621967993.db2.gz HLKVGFIWFRPHME-JTQLQIEISA-N 1 1 290.392 3.210 20 30 CGEDMO C=CCC1(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CCCC1 ZINC000912524167 622675730 /nfs/dbraw/zinc/67/57/30/622675730.db2.gz XOLBOWSTBRFTKX-HUUCEWRRSA-N 1 1 276.424 3.008 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[NH2+][C@@H](c2ccccc2C)C1 ZINC000913479108 622778443 /nfs/dbraw/zinc/77/84/43/622778443.db2.gz SLAJFWDHRUAUKN-MRXNPFEDSA-N 1 1 286.419 3.070 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)[C@@H](C)C2CC2)cc1 ZINC000158051264 622994539 /nfs/dbraw/zinc/99/45/39/622994539.db2.gz PMLXNSBKCHARLT-OLZOCXBDSA-N 1 1 258.365 3.208 20 30 CGEDMO C#CC[N@@H+](CCc1ccncc1)[C@H]1CCc2ccccc21 ZINC000171627045 623178548 /nfs/dbraw/zinc/17/85/48/623178548.db2.gz IVXRNSNIPBHDBU-IBGZPJMESA-N 1 1 276.383 3.247 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3cc(C)cc(C)c3)CCC[C@@H]12 ZINC000992458619 623573684 /nfs/dbraw/zinc/57/36/84/623573684.db2.gz KSQOEZDYOPGEGJ-MJGOQNOKSA-N 1 1 298.430 3.216 20 30 CGEDMO CC(C)C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C1CCCC1 ZINC000094848699 623676100 /nfs/dbraw/zinc/67/61/00/623676100.db2.gz XQINXMQNDLAMBZ-SFHVURJKSA-N 1 1 286.419 3.492 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2)[C@H]1C ZINC000992985075 623770786 /nfs/dbraw/zinc/77/07/86/623770786.db2.gz WJGUMHIIODYXPR-WBVHZDCISA-N 1 1 286.419 3.236 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C2CCCCC2)[C@H]1C ZINC000992988089 623775096 /nfs/dbraw/zinc/77/50/96/623775096.db2.gz UYEKKKKLYBKKIR-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO Cc1[nH+]c(C=NNc2ccc(F)cc2)c2ccccn12 ZINC000914601639 623834637 /nfs/dbraw/zinc/83/46/37/623834637.db2.gz ZJTZORTYHZBHLO-UHFFFAOYSA-N 1 1 268.295 3.228 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)CC2=CCCCC2)[C@H]1C ZINC000993143442 623867777 /nfs/dbraw/zinc/86/77/77/623867777.db2.gz SGGVHEOWKNSADQ-ZBFHGGJFSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2coc(C)c2)[C@@H]1C ZINC000993300763 624000424 /nfs/dbraw/zinc/00/04/24/624000424.db2.gz KUBYVVHTXWEQBY-GOEBONIOSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C(C)=C2CCC2)[C@H]1C ZINC000993320037 624020165 /nfs/dbraw/zinc/02/01/65/624020165.db2.gz WWZICAOWRUPTMI-WBVHZDCISA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C2CCC(=C)CC2)[C@@H]1C ZINC000993740476 624060566 /nfs/dbraw/zinc/06/05/66/624060566.db2.gz ITHFNSOYYYUBQO-DOTOQJQBSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](NC(=O)c2cc(Cl)cs2)[C@@H]1C ZINC000993913060 624065915 /nfs/dbraw/zinc/06/59/15/624065915.db2.gz FFGLQONHMURKJN-JQWIXIFHSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cc(Cl)cs2)[C@@H]1C ZINC000993913060 624065916 /nfs/dbraw/zinc/06/59/16/624065916.db2.gz FFGLQONHMURKJN-JQWIXIFHSA-N 1 1 298.839 3.170 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC2(CCCC2)C1 ZINC000154141837 624208053 /nfs/dbraw/zinc/20/80/53/624208053.db2.gz RVGAAYNBSNKRKT-UHFFFAOYSA-N 1 1 270.376 3.333 20 30 CGEDMO C=CC[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)C(C)C ZINC000917071724 624233964 /nfs/dbraw/zinc/23/39/64/624233964.db2.gz YKZZOMZGLVBIRQ-HOTGVXAUSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(F)s2)[C@@H]1C ZINC000994510609 624247921 /nfs/dbraw/zinc/24/79/21/624247921.db2.gz RWMFPSZEYPVXOA-NWDGAFQWSA-N 1 1 296.411 3.046 20 30 CGEDMO C[C@H](Cc1[nH]cc[nH+]1)OCc1cc(Cl)cc(C#N)c1 ZINC000917395275 624265233 /nfs/dbraw/zinc/26/52/33/624265233.db2.gz KLJHQWGWKDYMOA-SNVBAGLBSA-N 1 1 275.739 3.083 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C2(C)C(C)(C)C2(C)C)[C@H]1C ZINC000994538426 624311123 /nfs/dbraw/zinc/31/11/23/624311123.db2.gz UJDHIMIPDRPRBY-ZIAGYGMSSA-N 1 1 292.467 3.214 20 30 CGEDMO CCc1[nH+]c(C)cn1Cc1cc(Cl)cc(C#N)c1 ZINC000918553091 624361960 /nfs/dbraw/zinc/36/19/60/624361960.db2.gz IYMPHVXKBDDGBB-UHFFFAOYSA-N 1 1 259.740 3.327 20 30 CGEDMO N#CC1CCC(C[N@H+]2CC[C@H](C3CCOCC3)C2)CC1 ZINC000930096688 624422637 /nfs/dbraw/zinc/42/26/37/624422637.db2.gz IYRONNWFJKJUDX-DQPZFDDXSA-N 1 1 276.424 3.065 20 30 CGEDMO C#CCC[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000920416192 624491140 /nfs/dbraw/zinc/49/11/40/624491140.db2.gz UWUHCZDXGFOKQE-UHFFFAOYSA-N 1 1 271.360 3.183 20 30 CGEDMO C#CC[N@@H+](Cc1cccc(Br)c1)C(C)C ZINC000920090378 624445653 /nfs/dbraw/zinc/44/56/53/624445653.db2.gz NMFLRZPGURTDLJ-UHFFFAOYSA-N 1 1 266.182 3.293 20 30 CGEDMO CC(=NN1CC[NH+](C)CC1)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000920357541 624480458 /nfs/dbraw/zinc/48/04/58/624480458.db2.gz XMXQXUIPXYZHPU-LSDHHAIUSA-N 1 1 291.826 3.067 20 30 CGEDMO C=CC[N@H+](CCCOc1ccc2c(c1)OCO2)C(C)C ZINC000921190713 624573085 /nfs/dbraw/zinc/57/30/85/624573085.db2.gz AOLNKCPUXWZMHA-UHFFFAOYSA-N 1 1 277.364 3.081 20 30 CGEDMO C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC2(C)C)CC1 ZINC000997550715 625742045 /nfs/dbraw/zinc/74/20/45/625742045.db2.gz UKIFRIPTCQGPIF-JSGCOSHPSA-N 1 1 298.858 3.002 20 30 CGEDMO CCCO[NH+]=C(C)c1ccc(N2CCOCC2)cc1Cl ZINC000842555989 625758342 /nfs/dbraw/zinc/75/83/42/625758342.db2.gz FUDGTLZHCSPTMM-UHFFFAOYSA-N 1 1 296.798 3.327 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(C(F)F)c2)C1 ZINC001016057374 625758383 /nfs/dbraw/zinc/75/83/83/625758383.db2.gz KXMWDLUEXBXWJK-AWEZNQCLSA-N 1 1 294.345 3.004 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)C2CCCCC2)CC1 ZINC000997896116 625763960 /nfs/dbraw/zinc/76/39/60/625763960.db2.gz ZAPCVKMVWMJSSU-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2ccoc2C)CC1 ZINC000997922289 625773112 /nfs/dbraw/zinc/77/31/12/625773112.db2.gz RHINDLUHYMLYPG-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)c2ccsc2)CC1 ZINC000997931570 625774807 /nfs/dbraw/zinc/77/48/07/625774807.db2.gz ZXXSXNIPLQXMOO-HNNXBMFYSA-N 1 1 292.448 3.251 20 30 CGEDMO C=CCCC[C@H](NC(=O)Cn1cc[nH+]c1C)c1ccccc1 ZINC000921646914 625801438 /nfs/dbraw/zinc/80/14/38/625801438.db2.gz YBKCSEAXUHYBHC-KRWDZBQOSA-N 1 1 297.402 3.405 20 30 CGEDMO COC[C@H]([NH2+]Cc1csc(C#N)c1)c1ccccc1 ZINC000921740099 625858310 /nfs/dbraw/zinc/85/83/10/625858310.db2.gz IFPKDTSCBVRVNR-HNNXBMFYSA-N 1 1 272.373 3.097 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)c2c(C)cccc2C)CC1 ZINC001001197186 625892442 /nfs/dbraw/zinc/89/24/42/625892442.db2.gz YPJHOWZVEZRTMZ-UHFFFAOYSA-N 1 1 298.430 3.241 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H]2C[C@]2(C)CC)CC1 ZINC001001991697 625906721 /nfs/dbraw/zinc/90/67/21/625906721.db2.gz GAFZJSCCKKANPO-ZBFHGGJFSA-N 1 1 298.858 3.003 20 30 CGEDMO CCC[N@@H+](Cc1[nH]c(C)nc1C)Cc1ccc(C#N)cc1 ZINC000929271468 625976779 /nfs/dbraw/zinc/97/67/79/625976779.db2.gz YQIOVNJHXHAGDY-UHFFFAOYSA-N 1 1 282.391 3.310 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@@]2(C)CCC[C@H]2C)CC1 ZINC001003576133 625983916 /nfs/dbraw/zinc/98/39/16/625983916.db2.gz RTKDHHWCPYKEEK-WBMJQRKESA-N 1 1 298.858 3.146 20 30 CGEDMO CCOc1ccc(NCc2csc(C#N)c2)[nH+]c1C ZINC000922264431 625992191 /nfs/dbraw/zinc/99/21/91/625992191.db2.gz CYAONLUZYOLCRQ-UHFFFAOYSA-N 1 1 273.361 3.334 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC)CC1 ZINC001004305183 626031485 /nfs/dbraw/zinc/03/14/85/626031485.db2.gz YTPHUOALIUMQDU-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C(C)C)CC1 ZINC001004348587 626041556 /nfs/dbraw/zinc/04/15/56/626041556.db2.gz XZBUMGVGWWRIQH-KRWDZBQOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CC)CC2)C1 ZINC001004539208 626065729 /nfs/dbraw/zinc/06/57/29/626065729.db2.gz IGUHWRPERPEFLH-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2C[C@]2(C)CC)CC1 ZINC001006227437 626172954 /nfs/dbraw/zinc/17/29/54/626172954.db2.gz SQVDUIPTUAXAHO-ZBFHGGJFSA-N 1 1 298.858 3.098 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+](C)CCNC(=O)OC(C)(C)C ZINC000839136675 626322564 /nfs/dbraw/zinc/32/25/64/626322564.db2.gz WTTWFIOCVYCPKP-ZDUSSCGKSA-N 1 1 270.417 3.188 20 30 CGEDMO CCCCCCCCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000873958272 634498286 /nfs/dbraw/zinc/49/82/86/634498286.db2.gz GYLJRUQLHXDMAZ-HNNXBMFYSA-N 1 1 268.445 3.195 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCCCCCO ZINC000752076167 626417745 /nfs/dbraw/zinc/41/77/45/626417745.db2.gz PIFMZKGSAKYIAI-MSOLQXFVSA-N 1 1 286.419 3.311 20 30 CGEDMO C=CCCC(=[NH+]n1cc(Br)cn1)C1CC1 ZINC000752747250 626437237 /nfs/dbraw/zinc/43/72/37/626437237.db2.gz OZTMBWMKZKUMFQ-UHFFFAOYSA-N 1 1 268.158 3.226 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000752856224 626441049 /nfs/dbraw/zinc/44/10/49/626441049.db2.gz OZAYIXLBGGWYQE-DLBZAZTESA-N 1 1 259.393 3.193 20 30 CGEDMO C=C(Cl)C[N@H+]1CCc2c(ncn2-c2ccc(C)cc2)C1 ZINC000753791509 626465750 /nfs/dbraw/zinc/46/57/50/626465750.db2.gz HUNDTPPKYTUZFN-UHFFFAOYSA-N 1 1 287.794 3.291 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCc2c(ncn2-c2ccc(C)cc2)C1 ZINC000753791509 626465753 /nfs/dbraw/zinc/46/57/53/626465753.db2.gz HUNDTPPKYTUZFN-UHFFFAOYSA-N 1 1 287.794 3.291 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@H+]2C[C@@H](C)C[C@@H]2C)c1O ZINC000754741332 626585901 /nfs/dbraw/zinc/58/59/01/626585901.db2.gz LGCHAEFJWHRWGR-STQMWFEESA-N 1 1 275.392 3.360 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@@H](c1ccccc1)C(C)C ZINC000756542334 626714216 /nfs/dbraw/zinc/71/42/16/626714216.db2.gz LFLQPDDNGVXTLN-ZWKOTPCHSA-N 1 1 299.414 3.067 20 30 CGEDMO COc1cccc(/C=N/[C@@H]2C[N@@H+](C)Cc3ccccc32)c1O ZINC000756841456 626736823 /nfs/dbraw/zinc/73/68/23/626736823.db2.gz VBVPYTYMHNUBIC-MWJIIQFGSA-N 1 1 296.370 3.006 20 30 CGEDMO C#CCC[N@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC000760845367 626996685 /nfs/dbraw/zinc/99/66/85/626996685.db2.gz XOHOWRIZFOMANO-GOSISDBHSA-N 1 1 253.389 3.380 20 30 CGEDMO C#CCOCC[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC000761109144 627017015 /nfs/dbraw/zinc/01/70/15/627017015.db2.gz NSEFNDIQHPCYIV-UHFFFAOYSA-N 1 1 272.175 3.075 20 30 CGEDMO C#CCOCC[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC000761109144 627017016 /nfs/dbraw/zinc/01/70/16/627017016.db2.gz NSEFNDIQHPCYIV-UHFFFAOYSA-N 1 1 272.175 3.075 20 30 CGEDMO C[C@@H](C#N)CN[NH+]=Cc1c(Cl)cccc1N1CCCC1 ZINC000763369350 627154433 /nfs/dbraw/zinc/15/44/33/627154433.db2.gz GQWVWYPJPXVIDU-LBPRGKRZSA-N 1 1 290.798 3.023 20 30 CGEDMO C#CC[N@@H+](CCCOc1cccc(C#N)c1)C1CCCC1 ZINC000763413456 627156995 /nfs/dbraw/zinc/15/69/95/627156995.db2.gz LMXKZOFUUUPQNA-UHFFFAOYSA-N 1 1 282.387 3.205 20 30 CGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CC[C@@H]2c2ccccc2)cc1 ZINC000763414647 627157569 /nfs/dbraw/zinc/15/75/69/627157569.db2.gz XQLMZOWJJWDHQS-QZTJIDSGSA-N 1 1 278.355 3.039 20 30 CGEDMO CC[N@@H+](C[C@@H]1CC2(CC2)C(=O)O1)[C@H](C)c1ccc(C#N)cc1 ZINC000763672256 627172841 /nfs/dbraw/zinc/17/28/41/627172841.db2.gz NZQBHBQCAHJNJT-CJNGLKHVSA-N 1 1 298.386 3.037 20 30 CGEDMO C#CC[N@H+](Cc1ccc(Br)c(F)c1)C1CC1 ZINC000763949286 627186517 /nfs/dbraw/zinc/18/65/17/627186517.db2.gz JYFLVIRLCXZRAA-UHFFFAOYSA-N 1 1 282.156 3.186 20 30 CGEDMO C#CC[N@@H+](Cc1c(C)cc(C)c(C(C)=O)c1C)C1CC1 ZINC000763958670 627187860 /nfs/dbraw/zinc/18/78/60/627187860.db2.gz ZAYJGUCFGGZLGZ-UHFFFAOYSA-N 1 1 269.388 3.412 20 30 CGEDMO C#CC[N@H+](Cc1c(C)cc(C)c(C(C)=O)c1C)C1CC1 ZINC000763958670 627187863 /nfs/dbraw/zinc/18/78/63/627187863.db2.gz ZAYJGUCFGGZLGZ-UHFFFAOYSA-N 1 1 269.388 3.412 20 30 CGEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000764484180 627209037 /nfs/dbraw/zinc/20/90/37/627209037.db2.gz ISGXFUKVMCMYJB-CYBMUJFWSA-N 1 1 290.794 3.474 20 30 CGEDMO C#CC[N@@H+](Cc1c(C)nn(Cc2ccccc2)c1C)C1CC1 ZINC000764677841 627217705 /nfs/dbraw/zinc/21/77/05/627217705.db2.gz UZRZEWHDXISCOB-UHFFFAOYSA-N 1 1 293.414 3.146 20 30 CGEDMO C#CC[N@H+](Cc1c(C)nn(Cc2ccccc2)c1C)C1CC1 ZINC000764677841 627217706 /nfs/dbraw/zinc/21/77/06/627217706.db2.gz UZRZEWHDXISCOB-UHFFFAOYSA-N 1 1 293.414 3.146 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C[C@H]1C ZINC000766376309 627324333 /nfs/dbraw/zinc/32/43/33/627324333.db2.gz YQZMPCQVTCGXFX-HUUCEWRRSA-N 1 1 294.402 3.357 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)OC[C@H]1CCC[N@H+]1Cc1ccco1 ZINC000768003071 627449236 /nfs/dbraw/zinc/44/92/36/627449236.db2.gz NARYZVUDKUYPLK-HUUCEWRRSA-N 1 1 291.391 3.390 20 30 CGEDMO CC(C)[N@@H+](CCC#N)Cc1cc2c(cc1O)CCCC2 ZINC000768439325 627480025 /nfs/dbraw/zinc/48/00/25/627480025.db2.gz FURQGZOMFBRVEL-UHFFFAOYSA-N 1 1 272.392 3.395 20 30 CGEDMO C[C@@H](CC#N)[N@H+](C)Cc1cc2c(cc1O)CCCC2 ZINC000768452859 627480699 /nfs/dbraw/zinc/48/06/99/627480699.db2.gz UIJJORSGRVUQEN-LBPRGKRZSA-N 1 1 258.365 3.005 20 30 CGEDMO C[C@@H](CC#N)[N@@H+](C)Cc1cc2c(cc1O)CCCC2 ZINC000768452859 627480702 /nfs/dbraw/zinc/48/07/02/627480702.db2.gz UIJJORSGRVUQEN-LBPRGKRZSA-N 1 1 258.365 3.005 20 30 CGEDMO CC(C)[N@@H+](CCC#N)Cc1cccc(Br)c1[O-] ZINC000768765929 627497460 /nfs/dbraw/zinc/49/74/60/627497460.db2.gz WHWVZCHRQMRGFL-UHFFFAOYSA-N 1 1 297.196 3.279 20 30 CGEDMO CCCCCCCCC(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000768845887 627503336 /nfs/dbraw/zinc/50/33/36/627503336.db2.gz JCRLFFKQXQKRHN-GJZGRUSLSA-N 1 1 268.445 3.288 20 30 CGEDMO Cc1cccc2c1CC[N@H+](Cc1ccc(C#N)o1)C2 ZINC000769338623 627543654 /nfs/dbraw/zinc/54/36/54/627543654.db2.gz MOOLHLVZRPNCRW-UHFFFAOYSA-N 1 1 252.317 3.018 20 30 CGEDMO Cc1cccc2c1CC[N@@H+](Cc1ccc(C#N)o1)C2 ZINC000769338623 627543656 /nfs/dbraw/zinc/54/36/56/627543656.db2.gz MOOLHLVZRPNCRW-UHFFFAOYSA-N 1 1 252.317 3.018 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(Cl)nc2ccccc12 ZINC000769961014 627592682 /nfs/dbraw/zinc/59/26/82/627592682.db2.gz LASWMZNXUQZVBZ-LLVKDONJSA-N 1 1 258.752 3.342 20 30 CGEDMO N#C[C@@H]1CC[C@@H](NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000769999621 627597082 /nfs/dbraw/zinc/59/70/82/627597082.db2.gz APSMCTJVRUWDPC-SJLPKXTDSA-N 1 1 289.467 3.313 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000770312103 627612553 /nfs/dbraw/zinc/61/25/53/627612553.db2.gz WQFHLNDQHPLNHY-GASCZTMLSA-N 1 1 257.377 3.462 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccc(F)cc1N(C)C ZINC000773002895 627839954 /nfs/dbraw/zinc/83/99/54/627839954.db2.gz AIGKSVSWCALQNU-JTQLQIEISA-N 1 1 256.752 3.295 20 30 CGEDMO C=C(Cl)C[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000773004588 627840889 /nfs/dbraw/zinc/84/08/89/627840889.db2.gz MHTPWROEMVFQOT-LBPRGKRZSA-N 1 1 255.720 3.382 20 30 CGEDMO C#CCCC[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000773667731 627904870 /nfs/dbraw/zinc/90/48/70/627904870.db2.gz VABSVTMXESUFRP-UHFFFAOYSA-N 1 1 260.768 3.238 20 30 CGEDMO C[NH+](C)[C@@H]1CCC[C@@H](N[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000775397019 628090184 /nfs/dbraw/zinc/09/01/84/628090184.db2.gz RUEPWSSFHNEZMZ-ZHALLVOQSA-N 1 1 297.446 3.398 20 30 CGEDMO C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000775397017 628090223 /nfs/dbraw/zinc/09/02/23/628090223.db2.gz RUEPWSSFHNEZMZ-SCTDSRPQSA-N 1 1 297.446 3.398 20 30 CGEDMO C=C(C)CC[N@H+](C)CC(=O)Nc1ccccc1Cl ZINC000775567286 628107268 /nfs/dbraw/zinc/10/72/68/628107268.db2.gz ZDDDYHSZICLDBN-UHFFFAOYSA-N 1 1 266.772 3.177 20 30 CGEDMO CCCCCCCC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000874846516 634630828 /nfs/dbraw/zinc/63/08/28/634630828.db2.gz KDGQRFNSBOHCQT-CABCVRRESA-N 1 1 266.429 3.042 20 30 CGEDMO C[C@@H](C(=O)O[C@@H](C#N)C1CCCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000776388179 628203198 /nfs/dbraw/zinc/20/31/98/628203198.db2.gz XKBZNCBLZMWZQV-FQLMCAECSA-N 1 1 292.423 3.263 20 30 CGEDMO C[C@@H](C(=O)O[C@@H](C#N)C1CCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000776388179 628203200 /nfs/dbraw/zinc/20/32/00/628203200.db2.gz XKBZNCBLZMWZQV-FQLMCAECSA-N 1 1 292.423 3.263 20 30 CGEDMO C=CC[N@@H+](C)[C@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC000778165995 628330575 /nfs/dbraw/zinc/33/05/75/628330575.db2.gz WRBUUGBIRIWSMA-GFCCVEGCSA-N 1 1 257.337 3.224 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC000778165995 628330578 /nfs/dbraw/zinc/33/05/78/628330578.db2.gz WRBUUGBIRIWSMA-GFCCVEGCSA-N 1 1 257.337 3.224 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CCC1(C)C ZINC000779157992 628391607 /nfs/dbraw/zinc/39/16/07/628391607.db2.gz MDHWRZWWNOEOTL-UHFFFAOYSA-N 1 1 263.768 3.336 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC1(C)C ZINC000779157992 628391610 /nfs/dbraw/zinc/39/16/10/628391610.db2.gz MDHWRZWWNOEOTL-UHFFFAOYSA-N 1 1 263.768 3.336 20 30 CGEDMO Cc1oc2ccccc2c1C=NNc1cc[nH+]cc1 ZINC000779806612 628432837 /nfs/dbraw/zinc/43/28/37/628432837.db2.gz CJOUQIIEOQRDCR-UHFFFAOYSA-N 1 1 251.289 3.004 20 30 CGEDMO c1ccc2c(c1)OC1(CCC1)CC2=NNc1cc[nH+]cc1 ZINC000779810462 628433948 /nfs/dbraw/zinc/43/39/48/628433948.db2.gz BUAGUGAIPWBDLQ-UHFFFAOYSA-N 1 1 279.343 3.025 20 30 CGEDMO CC1(C)CC(=NNc2cc[nH+]cc2)c2ccc(F)cc2O1 ZINC000779812445 628434661 /nfs/dbraw/zinc/43/46/61/628434661.db2.gz SGUDTAVEDCVEFZ-UHFFFAOYSA-N 1 1 285.322 3.020 20 30 CGEDMO CCCCCC[C@H](C)NC(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000780332294 628482581 /nfs/dbraw/zinc/48/25/81/628482581.db2.gz DHJSXZXMDBQRFL-HNNXBMFYSA-N 1 1 293.455 3.087 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2cnc(C3CCCC3)s2)nc1 ZINC000780555785 628499004 /nfs/dbraw/zinc/49/90/04/628499004.db2.gz SEUFVVDGUQEADQ-UHFFFAOYSA-N 1 1 298.415 3.357 20 30 CGEDMO C[C@@H]1CCCC(=[NH+]n2cc(Br)cn2)[C@@H]1C ZINC000781128392 628539247 /nfs/dbraw/zinc/53/92/47/628539247.db2.gz QYMZRSAWCZNBBD-RKDXNWHRSA-N 1 1 270.174 3.306 20 30 CGEDMO N#CCC1CC[NH+](Cn2ccc(-c3cccs3)n2)CC1 ZINC000781572109 628574010 /nfs/dbraw/zinc/57/40/10/628574010.db2.gz LYNNBCRBYZZICW-UHFFFAOYSA-N 1 1 286.404 3.195 20 30 CGEDMO C=CC[N@H+](Cc1nc(-c2ccccc2F)no1)C(C)C ZINC000781883702 628601524 /nfs/dbraw/zinc/60/15/24/628601524.db2.gz FFXORTMXPYFVJC-UHFFFAOYSA-N 1 1 275.327 3.272 20 30 CGEDMO C=CC[N@@H+](Cc1nc(-c2ccccc2F)no1)C(C)C ZINC000781883702 628601526 /nfs/dbraw/zinc/60/15/26/628601526.db2.gz FFXORTMXPYFVJC-UHFFFAOYSA-N 1 1 275.327 3.272 20 30 CGEDMO Cc1[nH+]c(C=NN[C@H]2CCCC2(C)C)c2ccccn12 ZINC000782290344 628634602 /nfs/dbraw/zinc/63/46/02/628634602.db2.gz YCQMGBPPTJOCFD-HNNXBMFYSA-N 1 1 270.380 3.145 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)cc1 ZINC000783736521 628744104 /nfs/dbraw/zinc/74/41/04/628744104.db2.gz CCBKQRXIMUDQPG-XHSDSOJGSA-N 1 1 287.403 3.086 20 30 CGEDMO C[C@@H]1CCC(=[NH+]n2cc(Br)cn2)[C@@H](C)C1 ZINC000783856431 628751867 /nfs/dbraw/zinc/75/18/67/628751867.db2.gz CHDYIWUXJZEZSE-BDAKNGLRSA-N 1 1 270.174 3.306 20 30 CGEDMO CC[N@@H+](CCc1ccccn1)Cc1ccc(CC#N)cc1 ZINC000784173041 628790626 /nfs/dbraw/zinc/79/06/26/628790626.db2.gz FFENGLCRWFKZSG-UHFFFAOYSA-N 1 1 279.387 3.212 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CC(C)(C)C1 ZINC000784348993 628807927 /nfs/dbraw/zinc/80/79/27/628807927.db2.gz AUTWFLYIDUEUBU-CQSZACIVSA-N 1 1 272.392 3.457 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000785693954 628881383 /nfs/dbraw/zinc/88/13/83/628881383.db2.gz MYFQAIPRPDCCAY-INIZCTEOSA-N 1 1 278.440 3.210 20 30 CGEDMO C=CCCC[C@H](C)OC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000785731350 628883165 /nfs/dbraw/zinc/88/31/65/628883165.db2.gz MBQOYSHYNDXFPT-MJBXVCDLSA-N 1 1 253.386 3.147 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000785823527 628889810 /nfs/dbraw/zinc/88/98/10/628889810.db2.gz HUNLQCDLKCMZFH-UHFFFAOYSA-N 1 1 291.414 3.479 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805793234 628904937 /nfs/dbraw/zinc/90/49/37/628904937.db2.gz JQLJQXAXLZOMPB-KRWDZBQOSA-N 1 1 294.439 3.286 20 30 CGEDMO Cc1c([C@H](C)[NH2+]Cc2ccc(C#N)cn2)cnn1C(C)(C)C ZINC000786937251 628971530 /nfs/dbraw/zinc/97/15/30/628971530.db2.gz XMGMMJUUTSTRPO-LBPRGKRZSA-N 1 1 297.406 3.064 20 30 CGEDMO C#Cc1ccc(C[N@@H+](C)CCOc2ccccc2)cc1 ZINC000787770516 629028495 /nfs/dbraw/zinc/02/84/95/629028495.db2.gz RYQDKLSMLFICLP-UHFFFAOYSA-N 1 1 265.356 3.179 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000787997945 629038600 /nfs/dbraw/zinc/03/86/00/629038600.db2.gz SRLHBYCGNSHART-UHFFFAOYSA-N 1 1 279.305 3.401 20 30 CGEDMO C#CC(C)(C)[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000787997322 629038731 /nfs/dbraw/zinc/03/87/31/629038731.db2.gz KDKXTLZOBLSHRW-UHFFFAOYSA-N 1 1 299.201 3.276 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000787997322 629038736 /nfs/dbraw/zinc/03/87/36/629038736.db2.gz KDKXTLZOBLSHRW-UHFFFAOYSA-N 1 1 299.201 3.276 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)C[C@H]2CCc3ccccc32)n1 ZINC000789325307 629124179 /nfs/dbraw/zinc/12/41/79/629124179.db2.gz BWQAAXFOVUXLCI-QGZVFWFLSA-N 1 1 293.414 3.068 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)[C@@H](C)CCc2ccccc2)n1 ZINC000789325370 629124864 /nfs/dbraw/zinc/12/48/64/629124864.db2.gz DBGSRXIRVOZAMD-KRWDZBQOSA-N 1 1 295.430 3.360 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)Cc2c(C)cc(C)cc2C)n1 ZINC000789332618 629124952 /nfs/dbraw/zinc/12/49/52/629124952.db2.gz UOXCOHDMIJQAER-UHFFFAOYSA-N 1 1 295.430 3.464 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)Cc2c(C)cc(C)cc2C)n1 ZINC000789332618 629124953 /nfs/dbraw/zinc/12/49/53/629124953.db2.gz UOXCOHDMIJQAER-UHFFFAOYSA-N 1 1 295.430 3.464 20 30 CGEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)OC[C@@H](C)C#N)cc1 ZINC000805899096 629154565 /nfs/dbraw/zinc/15/45/65/629154565.db2.gz IGZDKCQGUZKQEZ-AWEZNQCLSA-N 1 1 288.391 3.235 20 30 CGEDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000791579827 629290646 /nfs/dbraw/zinc/29/06/46/629290646.db2.gz SUVFUNYXVDTIBE-RISCZKNCSA-N 1 1 298.308 3.362 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(Br)c(Cl)c1 ZINC000792305109 629355247 /nfs/dbraw/zinc/35/52/47/629355247.db2.gz DKOSGNRXNYOSGN-UHFFFAOYSA-N 1 1 272.573 3.168 20 30 CGEDMO CCCCCCCNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000875765288 634730491 /nfs/dbraw/zinc/73/04/91/634730491.db2.gz KHRYBUKAGRCHFL-CABCVRRESA-N 1 1 283.460 3.081 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(OCC)c(OCC)c2)C1 ZINC000862442745 629375031 /nfs/dbraw/zinc/37/50/31/629375031.db2.gz HDCLIMXJTNZCQF-OAHLLOKOSA-N 1 1 287.403 3.329 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(Br)s2)C1 ZINC000862443164 629375606 /nfs/dbraw/zinc/37/56/06/629375606.db2.gz LHWXTNMBMCFSOJ-JTQLQIEISA-N 1 1 284.222 3.356 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccccc2OCC=C)C1 ZINC000862444227 629376974 /nfs/dbraw/zinc/37/69/74/629376974.db2.gz ZVAVYILMQRATIC-OAHLLOKOSA-N 1 1 255.361 3.097 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2ccccc2OCC2CC2)C1 ZINC000862443499 629377173 /nfs/dbraw/zinc/37/71/73/629377173.db2.gz PYIHRMBVVDKBLE-OAHLLOKOSA-N 1 1 269.388 3.321 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(OC)cc2OC(F)F)C1 ZINC000862444463 629378136 /nfs/dbraw/zinc/37/81/36/629378136.db2.gz AQTSOGOUBLNMCF-GFCCVEGCSA-N 1 1 295.329 3.142 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cn(-c3cccc(F)c3)nc2C)C1 ZINC000862447096 629379364 /nfs/dbraw/zinc/37/93/64/629379364.db2.gz IVHHASUHWNMPKN-HNNXBMFYSA-N 1 1 297.377 3.165 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](CCSCc2ccccc2)C1 ZINC000862445652 629379417 /nfs/dbraw/zinc/37/94/17/629379417.db2.gz YVAHORZLSXCAOY-HNNXBMFYSA-N 1 1 259.418 3.265 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc3cc(Cl)cnc3o2)C1 ZINC000862448018 629380855 /nfs/dbraw/zinc/38/08/55/629380855.db2.gz VDQVUOLRTYKHEF-LLVKDONJSA-N 1 1 274.751 3.326 20 30 CGEDMO C[N@H+]1CCC(=NOCc2ccc(F)cc2)CC1(C)C ZINC000863108836 629474471 /nfs/dbraw/zinc/47/44/71/629474471.db2.gz XTAHMUVYJJJLJF-UHFFFAOYSA-N 1 1 264.344 3.203 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1cc(C)ccc1OC(F)F ZINC000794537323 629552222 /nfs/dbraw/zinc/55/22/22/629552222.db2.gz YTZILOZMNWABML-UHFFFAOYSA-N 1 1 267.319 3.440 20 30 CGEDMO CSCCON=C1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000794574745 629558044 /nfs/dbraw/zinc/55/80/44/629558044.db2.gz NQYXQWCCALMHGV-CQSZACIVSA-N 1 1 292.448 3.264 20 30 CGEDMO CC(C)[N@@H+](CCO[C@@H](C)C#N)[C@H](C)c1ccccc1 ZINC000794694196 629568099 /nfs/dbraw/zinc/56/80/99/629568099.db2.gz ZSYKKUOMQNIULK-LSDHHAIUSA-N 1 1 260.381 3.387 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000794832121 629583890 /nfs/dbraw/zinc/58/38/90/629583890.db2.gz KBUCZNATOYUNRM-INIZCTEOSA-N 1 1 287.407 3.377 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@H]2CN(C)C[C@@H]21 ZINC000794950556 629604570 /nfs/dbraw/zinc/60/45/70/629604570.db2.gz YXKOLMSGBNIAJT-HOTGVXAUSA-N 1 1 252.446 3.373 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795134017 629634999 /nfs/dbraw/zinc/63/49/99/629634999.db2.gz VWZLFUBMAYELIX-LSDHHAIUSA-N 1 1 294.439 3.284 20 30 CGEDMO CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000864052745 629746394 /nfs/dbraw/zinc/74/63/94/629746394.db2.gz CTSMGQGZBGHLMF-RHSMWYFYSA-N 1 1 284.403 3.241 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@](C(=O)OC)(C(F)(F)F)C1 ZINC000796297326 629762145 /nfs/dbraw/zinc/76/21/45/629762145.db2.gz ZMJIDYLUCVVXTK-AAEUAGOBSA-N 1 1 293.329 3.159 20 30 CGEDMO CCCCCCCC[N@H+]1C[C@H](N2CCOCC2)C[C@H]1C ZINC000796378357 629773760 /nfs/dbraw/zinc/77/37/60/629773760.db2.gz PWWNMVSMEPQNOY-IAGOWNOFSA-N 1 1 282.472 3.142 20 30 CGEDMO Cc1ccccc1[C@@H](O)C1CC[NH+](CC2(C#N)CC2)CC1 ZINC000796427690 629779571 /nfs/dbraw/zinc/77/95/71/629779571.db2.gz GUBMTERDUOFDIB-KRWDZBQOSA-N 1 1 284.403 3.044 20 30 CGEDMO C#CC[N@@H+](CCCc1ccncc1)Cc1ccccc1 ZINC000796631674 629807558 /nfs/dbraw/zinc/80/75/58/629807558.db2.gz GJLVGGZGMCUPBG-UHFFFAOYSA-N 1 1 264.372 3.150 20 30 CGEDMO C=CCC[C@@H]([NH2+]Cc1cc(CC)n[nH]1)c1ccco1 ZINC000796764903 629829468 /nfs/dbraw/zinc/82/94/68/629829468.db2.gz WBHXXGPGGSWBKF-CQSZACIVSA-N 1 1 259.353 3.362 20 30 CGEDMO C=C(C)COCC[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000796833968 629843419 /nfs/dbraw/zinc/84/34/19/629843419.db2.gz YXXWXJPOPDOMSR-CQSZACIVSA-N 1 1 267.344 3.165 20 30 CGEDMO C[C@H](C#N)CNN=C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000797786316 629982381 /nfs/dbraw/zinc/98/23/81/629982381.db2.gz QHVWWORMKJQMOI-NNJIEVJOSA-N 1 1 298.434 3.166 20 30 CGEDMO CCCCCCCC[N@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000800456433 630280919 /nfs/dbraw/zinc/28/09/19/630280919.db2.gz FDMHZBNQRLHSBI-OAHLLOKOSA-N 1 1 289.485 3.246 20 30 CGEDMO Cc1cc([C@@H](C)[NH2+]Cc2ccc(C#N)cn2)oc1C ZINC000800490139 630287208 /nfs/dbraw/zinc/28/72/08/630287208.db2.gz HQLUPIZIXZHSBK-LLVKDONJSA-N 1 1 255.321 3.014 20 30 CGEDMO FCCC[C@@H]1CCCC1=[NH+]n1cc(Br)cn1 ZINC000800813796 630301251 /nfs/dbraw/zinc/30/12/51/630301251.db2.gz BBVPWQYHYZAFIN-VIFPVBQESA-N 1 1 288.164 3.400 20 30 CGEDMO FCCC[C@H]1CCCC1=[NH+]n1cc(Br)cn1 ZINC000800813791 630301296 /nfs/dbraw/zinc/30/12/96/630301296.db2.gz BBVPWQYHYZAFIN-SECBINFHSA-N 1 1 288.164 3.400 20 30 CGEDMO CCC[N@@H+](CCO[C@H](C)C#N)[C@@H]1CCc2ccccc21 ZINC000801913981 630364705 /nfs/dbraw/zinc/36/47/05/630364705.db2.gz QAOWQYLMKKFHGW-RHSMWYFYSA-N 1 1 272.392 3.315 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000801914297 630365129 /nfs/dbraw/zinc/36/51/29/630365129.db2.gz BOZZIWOQMYGGLV-GOEBONIOSA-N 1 1 264.413 3.350 20 30 CGEDMO CC(C)C[N@@H+](CCO[C@H](C)C#N)Cc1ccccc1 ZINC000801916365 630365589 /nfs/dbraw/zinc/36/55/89/630365589.db2.gz WEWDTMUAGBBWFT-OAHLLOKOSA-N 1 1 260.381 3.073 20 30 CGEDMO CC[N@@H+](CCO[C@H](C)C#N)[C@@H](C)c1ccc(F)cc1 ZINC000801915391 630365692 /nfs/dbraw/zinc/36/56/92/630365692.db2.gz JYOQWBPEUSRFMR-OLZOCXBDSA-N 1 1 264.344 3.137 20 30 CGEDMO CCC[N@@H+](CCO[C@H](C)C#N)[C@@H]1CCc2ccccc2C1 ZINC000801914814 630365984 /nfs/dbraw/zinc/36/59/84/630365984.db2.gz FNTMOAQNVHPYFZ-CRAIPNDOSA-N 1 1 286.419 3.185 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000801922067 630366500 /nfs/dbraw/zinc/36/65/00/630366500.db2.gz DZGGMEKDKYKHTJ-QWHCGFSZSA-N 1 1 280.799 3.131 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000801921393 630366694 /nfs/dbraw/zinc/36/66/94/630366694.db2.gz BLLYVFGLOQEOIM-YCPHGPKFSA-N 1 1 290.432 3.094 20 30 CGEDMO Cc1ccc([C@@H]2CSCC[N@@H+]2CCO[C@@H](C)C#N)cc1 ZINC000801921816 630366770 /nfs/dbraw/zinc/36/67/70/630366770.db2.gz NBVLATBQFLIHFC-HOCLYGCPSA-N 1 1 290.432 3.014 20 30 CGEDMO CC(C)C[C@H]1CCCCC[N@H+]1CCO[C@@H](C)C#N ZINC000801922816 630366890 /nfs/dbraw/zinc/36/68/90/630366890.db2.gz PLTPSNXHUCTCQZ-LSDHHAIUSA-N 1 1 252.402 3.206 20 30 CGEDMO Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CCO[C@@H](C)C#N)o1 ZINC000801926009 630367639 /nfs/dbraw/zinc/36/76/39/630367639.db2.gz UATNBEADDGQLFM-SNPRPXQTSA-N 1 1 276.380 3.290 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000801924008 630368151 /nfs/dbraw/zinc/36/81/51/630368151.db2.gz PTPBPRCFLACWHO-XJKCOSOUSA-N 1 1 276.355 3.137 20 30 CGEDMO Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)CCO[C@H](C)C#N)cc1 ZINC000801923558 630368168 /nfs/dbraw/zinc/36/81/68/630368168.db2.gz KNEJVUJSRKNFCT-NJAFHUGGSA-N 1 1 286.419 3.492 20 30 CGEDMO C[C@H](C#N)OCC[N@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000801929315 630368819 /nfs/dbraw/zinc/36/88/19/630368819.db2.gz KXPRWPGFUZGUBP-NEPJUHHUSA-N 1 1 289.404 3.218 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000801929315 630368823 /nfs/dbraw/zinc/36/88/23/630368823.db2.gz KXPRWPGFUZGUBP-NEPJUHHUSA-N 1 1 289.404 3.218 20 30 CGEDMO Cc1cc(C)cc([C@@H]2CC[N@H+](CCO[C@@H](C)C#N)C2)c1 ZINC000801939856 630371486 /nfs/dbraw/zinc/37/14/86/630371486.db2.gz WIMZNGRLTIEXSR-JKSUJKDBSA-N 1 1 272.392 3.021 20 30 CGEDMO C=C(C)CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000803351559 630466954 /nfs/dbraw/zinc/46/69/54/630466954.db2.gz FFYLRTRACOLFSI-KRWDZBQOSA-N 1 1 287.403 3.408 20 30 CGEDMO C=CCCCCCCNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000807572282 630593853 /nfs/dbraw/zinc/59/38/53/630593853.db2.gz YFAOUQXALBRVPN-JKSUJKDBSA-N 1 1 295.471 3.247 20 30 CGEDMO Cc1cc([N+](=O)[O-])ccc1N=NC1C[N@@H+](C(C)C)C[C@H]1C ZINC000807991297 630612606 /nfs/dbraw/zinc/61/26/06/630612606.db2.gz LALUKBBGFNLJCV-GFCCVEGCSA-N 1 1 290.367 3.031 20 30 CGEDMO C[C@@H](c1ccccc1Cl)[N@H+](C[C@H](O)CC#N)C1CC1 ZINC000809573302 630752250 /nfs/dbraw/zinc/75/22/50/630752250.db2.gz HIAVOEVPJVVVIV-WCQYABFASA-N 1 1 278.783 3.140 20 30 CGEDMO C[C@@H](c1ccccc1Cl)[N@@H+](C[C@H](O)CC#N)C1CC1 ZINC000809573302 630752253 /nfs/dbraw/zinc/75/22/53/630752253.db2.gz HIAVOEVPJVVVIV-WCQYABFASA-N 1 1 278.783 3.140 20 30 CGEDMO N#CC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C1CCCCC1 ZINC000809572044 630752331 /nfs/dbraw/zinc/75/23/31/630752331.db2.gz HVBHGAQGNOMTTN-QGZVFWFLSA-N 1 1 290.382 3.235 20 30 CGEDMO C#Cc1ccc(CNC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1 ZINC000809606201 630759703 /nfs/dbraw/zinc/75/97/03/630759703.db2.gz VUJHSULQOHCGFH-HZPDHXFCSA-N 1 1 270.420 3.020 20 30 CGEDMO C#Cc1ccc(CNC[C@@H](C)[N@H+]2CCCC[C@H]2C)cc1 ZINC000809606201 630759707 /nfs/dbraw/zinc/75/97/07/630759707.db2.gz VUJHSULQOHCGFH-HZPDHXFCSA-N 1 1 270.420 3.020 20 30 CGEDMO C#Cc1ccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])cc1 ZINC000809689178 630783234 /nfs/dbraw/zinc/78/32/34/630783234.db2.gz WNIIYVFHFYKMLD-UHFFFAOYSA-N 1 1 294.354 3.251 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)CCCN(C)Cc2ccco2)cc1 ZINC000809718268 630790401 /nfs/dbraw/zinc/79/04/01/630790401.db2.gz HTTPNXSNAOVKGS-UHFFFAOYSA-N 1 1 296.414 3.215 20 30 CGEDMO COc1ccc2c(c1)[C@H]([NH2+]Cc1nc(C#N)cs1)CCC2 ZINC000810148206 630847136 /nfs/dbraw/zinc/84/71/36/630847136.db2.gz WCLZLOFPHFTGPQ-OAHLLOKOSA-N 1 1 299.399 3.191 20 30 CGEDMO C=CCC[C@@H](OC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC000810638864 630914640 /nfs/dbraw/zinc/91/46/40/630914640.db2.gz PGEYACNDAFLPCM-RHSMWYFYSA-N 1 1 297.414 3.487 20 30 CGEDMO CC[N@@H+]1CCCC[C@H]1C(=O)OCCC1(C#N)CCCCC1 ZINC000840235378 631090921 /nfs/dbraw/zinc/09/09/21/631090921.db2.gz JRRKJJNZEHPXRR-HNNXBMFYSA-N 1 1 292.423 3.268 20 30 CGEDMO CC[N@H+]1CCCC[C@H]1C(=O)OCCC1(C#N)CCCCC1 ZINC000840235378 631090922 /nfs/dbraw/zinc/09/09/22/631090922.db2.gz JRRKJJNZEHPXRR-HNNXBMFYSA-N 1 1 292.423 3.268 20 30 CGEDMO C[C@@H]1C(N=Nc2ncccc2F)CC[N@H+]1Cc1ccccc1 ZINC000811650147 631097977 /nfs/dbraw/zinc/09/79/77/631097977.db2.gz NDWJRJYQKHUHIW-CYBMUJFWSA-N 1 1 298.365 3.283 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccn2)CCC1=NOCCC1CC1 ZINC000814245796 631559790 /nfs/dbraw/zinc/55/97/90/631559790.db2.gz IOZSVFSTCBDGEO-AWEZNQCLSA-N 1 1 287.407 3.096 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1cnc(C)n1-c1ccccc1 ZINC000127328286 635628314 /nfs/dbraw/zinc/62/83/14/635628314.db2.gz OAYYDRHJSSMSGC-UHFFFAOYSA-N 1 1 261.756 3.023 20 30 CGEDMO C=CCOCC[N@H+](CC(C)C)C[C@H](O)c1ccc(F)cc1 ZINC000815053129 631707288 /nfs/dbraw/zinc/70/72/88/631707288.db2.gz CEQKXHHHLCTCRI-KRWDZBQOSA-N 1 1 295.398 3.020 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CC[C@H](c2ccccc2)C1(C)C ZINC000817297672 632116789 /nfs/dbraw/zinc/11/67/89/632116789.db2.gz UKKJJOGRUKTEBA-GOEBONIOSA-N 1 1 272.392 3.183 20 30 CGEDMO C[C@@H](NCc1ccc(CC[NH3+])cc1)c1ccc(C#N)cc1F ZINC000817949553 632245657 /nfs/dbraw/zinc/24/56/57/632245657.db2.gz RGGLFDWFVKZGGP-CYBMUJFWSA-N 1 1 297.377 3.049 20 30 CGEDMO COc1cnccc1[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866344971 633091117 /nfs/dbraw/zinc/09/11/17/633091117.db2.gz DINKFAYMXNYAJI-NWDGAFQWSA-N 1 1 297.358 3.079 20 30 CGEDMO C=C(Br)C[N@@H+](C)[C@@H]1C[C@H](OCC)C12CCC2 ZINC000121028977 633092910 /nfs/dbraw/zinc/09/29/10/633092910.db2.gz NAAUTZHJTPVTAL-NEPJUHHUSA-N 1 1 288.229 3.175 20 30 CGEDMO C=C(Br)C[N@H+](C)[C@@H]1C[C@H](OCC)C12CCC2 ZINC000121028977 633092915 /nfs/dbraw/zinc/09/29/15/633092915.db2.gz NAAUTZHJTPVTAL-NEPJUHHUSA-N 1 1 288.229 3.175 20 30 CGEDMO CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000825005428 633316821 /nfs/dbraw/zinc/31/68/21/633316821.db2.gz KFBAXERFSZBFOR-ZIAGYGMSSA-N 1 1 298.390 3.045 20 30 CGEDMO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)C#N)cc1[N+](=O)[O-] ZINC000122294806 633363771 /nfs/dbraw/zinc/36/37/71/633363771.db2.gz BBEQPFGZMMPRQW-LLVKDONJSA-N 1 1 261.325 3.104 20 30 CGEDMO C#C[C@H]([NH2+]Cc1cc(COC)cs1)c1ccc(F)cc1 ZINC000825954825 633391871 /nfs/dbraw/zinc/39/18/71/633391871.db2.gz BGGSFJTZYLHASU-INIZCTEOSA-N 1 1 289.375 3.498 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000826861617 633437857 /nfs/dbraw/zinc/43/78/57/633437857.db2.gz HLWAMFDONHGUHY-JTQLQIEISA-N 1 1 282.746 3.310 20 30 CGEDMO CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000826861330 633437941 /nfs/dbraw/zinc/43/79/41/633437941.db2.gz DWIREGWWKQEKEB-RCFWFJCLSA-N 1 1 283.419 3.391 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](C[C@H]2CCO[C@@H](CC)C2)C1 ZINC000826948163 633445918 /nfs/dbraw/zinc/44/59/18/633445918.db2.gz WQHHUCLXKPXYKZ-PMPSAXMXSA-N 1 1 251.414 3.480 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000827336542 633483830 /nfs/dbraw/zinc/48/38/30/633483830.db2.gz IGJFQRGJHYMKHK-UHFFFAOYSA-N 1 1 288.435 3.311 20 30 CGEDMO CC(=O)Oc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000122773217 633508900 /nfs/dbraw/zinc/50/89/00/633508900.db2.gz MBDUYFRMMBHQEE-UHFFFAOYSA-N 1 1 294.354 3.116 20 30 CGEDMO C#CCC[N@H+](CCOC)[C@H](C)CCc1cccc(F)c1 ZINC000827822970 633522179 /nfs/dbraw/zinc/52/21/79/633522179.db2.gz IJAOAUZZFIDSBQ-OAHLLOKOSA-N 1 1 277.383 3.119 20 30 CGEDMO C#CCC[N@H+](CCOC)C[C@@H](CC)c1ccccc1 ZINC000827823198 633522884 /nfs/dbraw/zinc/52/28/84/633522884.db2.gz KKPZGAYGPBTKSK-MRXNPFEDSA-N 1 1 259.393 3.152 20 30 CGEDMO C#CCCCCC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000870121329 633533094 /nfs/dbraw/zinc/53/30/94/633533094.db2.gz CADKOCWPGYQLLS-QGZVFWFLSA-N 1 1 298.430 3.085 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[NH2+][C@H](c2ccccc2C)C1 ZINC000827916781 633534814 /nfs/dbraw/zinc/53/48/14/633534814.db2.gz NECZPPKIXINJKB-WBVHZDCISA-N 1 1 286.419 3.070 20 30 CGEDMO C=CCC1(C(=O)N2CC[N@H+](C)C(C)(C)CC2)CCCC1 ZINC000871157107 633712082 /nfs/dbraw/zinc/71/20/82/633712082.db2.gz HMXHKENTOLRLCI-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000829510936 633744070 /nfs/dbraw/zinc/74/40/70/633744070.db2.gz SKYYQWAPZJZTRU-SFHVURJKSA-N 1 1 273.420 3.369 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2nc(-c3ccccc3C)no2)C1 ZINC000829769221 633779402 /nfs/dbraw/zinc/77/94/02/633779402.db2.gz QLNWJGRSWQRMIU-OAHLLOKOSA-N 1 1 295.386 3.280 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000829769152 633779449 /nfs/dbraw/zinc/77/94/49/633779449.db2.gz PSJNHCFHXFEHRR-INIZCTEOSA-N 1 1 279.387 3.108 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](CC(=O)Nc2c(C)cccc2CC)C1 ZINC000829778560 633782263 /nfs/dbraw/zinc/78/22/63/633782263.db2.gz DYNFJLWRWZBQAZ-INIZCTEOSA-N 1 1 298.430 3.231 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2nc(C)c3ccccc3n2)C1 ZINC000829799399 633788118 /nfs/dbraw/zinc/78/81/18/633788118.db2.gz OFGBWVWTHYUZED-OAHLLOKOSA-N 1 1 279.387 3.174 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000829810064 633793082 /nfs/dbraw/zinc/79/30/82/633793082.db2.gz LJUILUGLDPHJLB-LRDDRELGSA-N 1 1 295.785 3.248 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2oc(CCC)nc2C)C1 ZINC000829815833 633796380 /nfs/dbraw/zinc/79/63/80/633796380.db2.gz UMLDRCDYOVNUNQ-CQSZACIVSA-N 1 1 260.381 3.171 20 30 CGEDMO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000829975792 633814754 /nfs/dbraw/zinc/81/47/54/633814754.db2.gz TXWJIBFSHBQPID-FZMZJTMJSA-N 1 1 298.308 3.117 20 30 CGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(Cc2ccc(C)cc2)no1 ZINC000872172972 634077208 /nfs/dbraw/zinc/07/72/08/634077208.db2.gz JPYNYCABNVTUJZ-GFCCVEGCSA-N 1 1 277.755 3.111 20 30 CGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ccc(COC)cc2)no1 ZINC000872176702 634078839 /nfs/dbraw/zinc/07/88/39/634078839.db2.gz UENCJLLLHIXLAC-GFCCVEGCSA-N 1 1 293.754 3.025 20 30 CGEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2ccc(COC)cc2)no1 ZINC000872176703 634079436 /nfs/dbraw/zinc/07/94/36/634079436.db2.gz UENCJLLLHIXLAC-LBPRGKRZSA-N 1 1 293.754 3.025 20 30 CGEDMO C=C(Cl)C[C@H]([NH3+])c1nc(Cc2ccc(C)s2)no1 ZINC000872182201 634080484 /nfs/dbraw/zinc/08/04/84/634080484.db2.gz ICNSMTOWSSFCQP-JTQLQIEISA-N 1 1 283.784 3.173 20 30 CGEDMO C[N@@H+](Cc1c(O)ccc2ccncc21)[C@H]1CCC[C@H]1C#N ZINC000872682862 634186229 /nfs/dbraw/zinc/18/62/29/634186229.db2.gz SJGBLDCNRBYOOA-BBRMVZONSA-N 1 1 281.359 3.064 20 30 CGEDMO CC(C)c1c(Cl)nc[nH+]c1NNC=C1CC1(F)F ZINC000834975529 634300833 /nfs/dbraw/zinc/30/08/33/634300833.db2.gz OBVCIGFHZKUIBS-SSDOTTSWSA-N 1 1 274.702 3.306 20 30 CGEDMO CC(=NOC(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000835000901 634308280 /nfs/dbraw/zinc/30/82/80/634308280.db2.gz AGOOSKRENGLOKK-MRXNPFEDSA-N 1 1 260.381 3.309 20 30 CGEDMO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000835047028 634333153 /nfs/dbraw/zinc/33/31/53/634333153.db2.gz BSBGCFLBVFDAMF-SUZKBHRPSA-N 1 1 283.419 3.391 20 30 CGEDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000835047028 634333159 /nfs/dbraw/zinc/33/31/59/634333159.db2.gz BSBGCFLBVFDAMF-SUZKBHRPSA-N 1 1 283.419 3.391 20 30 CGEDMO COc1ccc(C[N@@H+](C)C[C@@H](C)CCC#N)cc1F ZINC000876546280 634854823 /nfs/dbraw/zinc/85/48/23/634854823.db2.gz HFJYEBHZBUGNGL-LBPRGKRZSA-N 1 1 264.344 3.206 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@@H](C)CCC#N ZINC000876642598 634874368 /nfs/dbraw/zinc/87/43/68/634874368.db2.gz GGRRRVMGNLFLTG-AWEZNQCLSA-N 1 1 258.340 3.201 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C(F)F)nc1)C1CCCC1 ZINC000876784511 634899574 /nfs/dbraw/zinc/89/95/74/634899574.db2.gz GJVAPUDOISMMRJ-UHFFFAOYSA-N 1 1 264.319 3.397 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000876807717 634903820 /nfs/dbraw/zinc/90/38/20/634903820.db2.gz IXXDJTOGXUKKGD-ILXRZTDVSA-N 1 1 276.380 3.107 20 30 CGEDMO CC[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)c1ccncc1 ZINC000877059333 634966703 /nfs/dbraw/zinc/96/67/03/634966703.db2.gz VDTLWTPPVPHYAH-AWEZNQCLSA-N 1 1 286.766 3.243 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@H]1COC(=O)c1cscc1C#N ZINC000837743736 634978669 /nfs/dbraw/zinc/97/86/69/634978669.db2.gz FSTMKYKAXCOFGK-ZDUSSCGKSA-N 1 1 292.404 3.039 20 30 CGEDMO CCOc1cc(F)cc(C[NH2+][C@H](CC)CC#N)c1 ZINC000877364288 635030645 /nfs/dbraw/zinc/03/06/45/635030645.db2.gz LGRBTXIOCXAOPU-CYBMUJFWSA-N 1 1 250.317 3.006 20 30 CGEDMO CCCOc1ccc(C[NH2+]CC2(C#N)CC2)cc1C ZINC000877493524 635059150 /nfs/dbraw/zinc/05/91/50/635059150.db2.gz DZNVAOUGFQSJBE-UHFFFAOYSA-N 1 1 258.365 3.177 20 30 CGEDMO C[C@H](CCC#N)C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000877496159 635060371 /nfs/dbraw/zinc/06/03/71/635060371.db2.gz MRNKTPQEQAZHQZ-MJGOQNOKSA-N 1 1 299.462 3.428 20 30 CGEDMO C[C@H](CCC#N)C[NH2+]C[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000877496159 635060372 /nfs/dbraw/zinc/06/03/72/635060372.db2.gz MRNKTPQEQAZHQZ-MJGOQNOKSA-N 1 1 299.462 3.428 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@]1(C)CCCO ZINC000877528679 635073267 /nfs/dbraw/zinc/07/32/67/635073267.db2.gz HUOYNNPNBDWWJM-MRXNPFEDSA-N 1 1 251.414 3.197 20 30 CGEDMO C#CCOc1ccc([C@H](C)[NH2+]Cc2csc(C)n2)cc1 ZINC000126570371 635078768 /nfs/dbraw/zinc/07/87/68/635078768.db2.gz GTWOQPRGTKBPDE-LBPRGKRZSA-N 1 1 286.400 3.314 20 30 CGEDMO Cc1cc(N(C)C)ccc1C[N@H+](CCC#N)CC(C)C ZINC000840907397 635080561 /nfs/dbraw/zinc/08/05/61/635080561.db2.gz DHLXYWSRUBQBKK-UHFFFAOYSA-N 1 1 273.424 3.433 20 30 CGEDMO C#C[C@H]([NH2+]C[C@@H]1CC1(Cl)Cl)c1ccc(F)cc1 ZINC000877544792 635083021 /nfs/dbraw/zinc/08/30/21/635083021.db2.gz XIGDUUJIMXXMAO-JQWIXIFHSA-N 1 1 272.150 3.283 20 30 CGEDMO C#CCCCCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000877604360 635107868 /nfs/dbraw/zinc/10/78/68/635107868.db2.gz ZWSBPODTPACARS-IAGOWNOFSA-N 1 1 263.425 3.461 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877624795 635119374 /nfs/dbraw/zinc/11/93/74/635119374.db2.gz RYMPQJLJOHUFAM-GFCCVEGCSA-N 1 1 275.783 3.395 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877624795 635119378 /nfs/dbraw/zinc/11/93/78/635119378.db2.gz RYMPQJLJOHUFAM-GFCCVEGCSA-N 1 1 275.783 3.395 20 30 CGEDMO N#Cc1cnc(Cl)c(C[N@H+]2CCC[C@@H](CCF)C2)c1 ZINC000877630985 635122623 /nfs/dbraw/zinc/12/26/23/635122623.db2.gz LYMVEQGVDZTVNQ-NSHDSACASA-N 1 1 281.762 3.178 20 30 CGEDMO N#Cc1cnc(Cl)c(C[N@@H+]2CCC[C@@H](CCF)C2)c1 ZINC000877630985 635122628 /nfs/dbraw/zinc/12/26/28/635122628.db2.gz LYMVEQGVDZTVNQ-NSHDSACASA-N 1 1 281.762 3.178 20 30 CGEDMO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@@H](C)c1ccc(C#N)cc1 ZINC000126672689 635153666 /nfs/dbraw/zinc/15/36/66/635153666.db2.gz LHSCUWNFIFNDAF-BBRMVZONSA-N 1 1 286.375 3.037 20 30 CGEDMO CC[N@H+]1CCCC[C@H]1C(=O)O[C@@H](C)c1ccc(C#N)cc1 ZINC000126672689 635153670 /nfs/dbraw/zinc/15/36/70/635153670.db2.gz LHSCUWNFIFNDAF-BBRMVZONSA-N 1 1 286.375 3.037 20 30 CGEDMO Cc1cc(C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)ccc1C#N ZINC000877740133 635175067 /nfs/dbraw/zinc/17/50/67/635175067.db2.gz VEXKPFFOOSQFPU-CVEARBPZSA-N 1 1 272.417 3.052 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@@H](C(C)(C)O)C2)c1 ZINC000877796003 635206879 /nfs/dbraw/zinc/20/68/79/635206879.db2.gz DMSQGKVSEXZIDC-MRXNPFEDSA-N 1 1 289.419 3.234 20 30 CGEDMO CC1(C)CCc2onc(C[NH2+][C@H]3CCC[C@H](C#N)C3)c2C1 ZINC000877810337 635212964 /nfs/dbraw/zinc/21/29/64/635212964.db2.gz ROVBHAXSIQTVJR-STQMWFEESA-N 1 1 287.407 3.361 20 30 CGEDMO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CC[C@@H](C(F)(F)F)O1 ZINC000877823775 635229385 /nfs/dbraw/zinc/22/93/85/635229385.db2.gz NCJAVZOHVIRNLZ-FZMZJTMJSA-N 1 1 298.308 3.100 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@@H](C(F)(F)F)O1 ZINC000877823775 635229387 /nfs/dbraw/zinc/22/93/87/635229387.db2.gz NCJAVZOHVIRNLZ-FZMZJTMJSA-N 1 1 298.308 3.100 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@H](C)[C@@H](C)[C@H]2C)cc1 ZINC000841891091 635246928 /nfs/dbraw/zinc/24/69/28/635246928.db2.gz UMJGVOWNRIQMHS-GBJTYRQASA-N 1 1 272.392 3.454 20 30 CGEDMO C#CCCCCC[N@H+](C)CC(=O)Nc1ccccc1Cl ZINC000877946563 635283866 /nfs/dbraw/zinc/28/38/66/635283866.db2.gz YDFDWFQREIMTKP-UHFFFAOYSA-N 1 1 292.810 3.404 20 30 CGEDMO CC[N@H+](C[C@H](C)C#N)C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000878020745 635324074 /nfs/dbraw/zinc/32/40/74/635324074.db2.gz PSXINIAMBGYZNF-OIISXLGYSA-N 1 1 272.392 3.388 20 30 CGEDMO CC[N@@H+](C[C@H](C)C#N)C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000878020745 635324081 /nfs/dbraw/zinc/32/40/81/635324081.db2.gz PSXINIAMBGYZNF-OIISXLGYSA-N 1 1 272.392 3.388 20 30 CGEDMO Cc1cc(C[NH+]2CCN(c3ccccc3C#N)CC2)c(C)o1 ZINC000126938222 635388431 /nfs/dbraw/zinc/38/84/31/635388431.db2.gz IJASJCJPSNYVMB-UHFFFAOYSA-N 1 1 295.386 3.090 20 30 CGEDMO C[C@@H](CC#N)[N@H+](C)CCc1ccccc1Br ZINC000878189437 635403558 /nfs/dbraw/zinc/40/35/58/635403558.db2.gz ZEMBQRILDMMCDB-NSHDSACASA-N 1 1 281.197 3.226 20 30 CGEDMO C[C@@H](CC#N)[N@@H+](C)CCc1ccccc1Br ZINC000878189437 635403562 /nfs/dbraw/zinc/40/35/62/635403562.db2.gz ZEMBQRILDMMCDB-NSHDSACASA-N 1 1 281.197 3.226 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000878404999 635492554 /nfs/dbraw/zinc/49/25/54/635492554.db2.gz BDMYBBKHZRKIRR-OLZOCXBDSA-N 1 1 256.340 3.438 20 30 CGEDMO N#CCC1(C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)CC1 ZINC000878443149 635509902 /nfs/dbraw/zinc/50/99/02/635509902.db2.gz VUJRNYZOLHWZAJ-GFCCVEGCSA-N 1 1 276.330 3.448 20 30 CGEDMO C#CCCC[N@H+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000878449830 635511807 /nfs/dbraw/zinc/51/18/07/635511807.db2.gz ZJNRHQLWAQGFLV-MRXNPFEDSA-N 1 1 281.403 3.162 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1oc(-c2ccccc2)nc1C ZINC000878513846 635537631 /nfs/dbraw/zinc/53/76/31/635537631.db2.gz IWVGOOPLOXYVMY-UHFFFAOYSA-N 1 1 268.360 3.494 20 30 CGEDMO C#CCCCCC[N@H+](C)Cc1cnc(C(C)C)nc1 ZINC000878553546 635554553 /nfs/dbraw/zinc/55/45/53/635554553.db2.gz NNSPCASLGTZRMN-UHFFFAOYSA-N 1 1 259.397 3.225 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2oc(-c3ccccc3)nc2C)C1 ZINC000878843934 635641216 /nfs/dbraw/zinc/64/12/16/635641216.db2.gz MXDHVOOOJZGBIS-OAHLLOKOSA-N 1 1 280.371 3.495 20 30 CGEDMO C#CCCC[N@H+](C)Cc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000878929590 635660732 /nfs/dbraw/zinc/66/07/32/635660732.db2.gz LCDSDOPPWJXZSH-UHFFFAOYSA-N 1 1 295.308 3.427 20 30 CGEDMO C#CCCC[N@@H+](C)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000878929590 635660735 /nfs/dbraw/zinc/66/07/35/635660735.db2.gz LCDSDOPPWJXZSH-UHFFFAOYSA-N 1 1 295.308 3.427 20 30 CGEDMO C#CCCC[N@H+](C)Cc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000878929590 635660739 /nfs/dbraw/zinc/66/07/39/635660739.db2.gz LCDSDOPPWJXZSH-UHFFFAOYSA-N 1 1 295.308 3.427 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)cc1 ZINC000843417953 635663274 /nfs/dbraw/zinc/66/32/74/635663274.db2.gz XOZCSUVAYMOGAO-ROUUACIJSA-N 1 1 269.388 3.059 20 30 CGEDMO C=CC[N@H+](Cc1cccc(C(=O)OCC)n1)C(C)(C)C ZINC000878950330 635664070 /nfs/dbraw/zinc/66/40/70/635664070.db2.gz RFNLZVHVTJDVFZ-UHFFFAOYSA-N 1 1 276.380 3.045 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000843423215 635666643 /nfs/dbraw/zinc/66/66/43/635666643.db2.gz AGISWNSWXVLJPY-WCLQSUPFSA-N 1 1 284.359 3.343 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(OCOCC)cc2)C1 ZINC000843423265 635666720 /nfs/dbraw/zinc/66/67/20/635666720.db2.gz BLRCOPTXCSMDHI-INIZCTEOSA-N 1 1 287.403 3.295 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2c(C)nn(CCC)c2C)C1 ZINC000843423676 635666863 /nfs/dbraw/zinc/66/68/63/635666863.db2.gz HYLDMNJPHVFDND-MRXNPFEDSA-N 1 1 273.424 3.145 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000843424134 635668124 /nfs/dbraw/zinc/66/81/24/635668124.db2.gz OYCFWCQSAJGESJ-CVEARBPZSA-N 1 1 269.388 3.288 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000843423950 635668382 /nfs/dbraw/zinc/66/83/82/635668382.db2.gz MMQTYLNPSPSUSJ-QGZVFWFLSA-N 1 1 295.430 3.272 20 30 CGEDMO C#CC1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000843426619 635671468 /nfs/dbraw/zinc/67/14/68/635671468.db2.gz CJBSMDNWCUTONX-UHFFFAOYSA-N 1 1 267.731 3.030 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000879032053 635686484 /nfs/dbraw/zinc/68/64/84/635686484.db2.gz JCRYYHLGLLYSHS-PKOBYXMFSA-N 1 1 296.414 3.325 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000879115330 635706635 /nfs/dbraw/zinc/70/66/35/635706635.db2.gz SOHNPUWAZLPDTE-NSHDSACASA-N 1 1 279.689 3.081 20 30 CGEDMO C=C(Cl)C[NH2+][C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000879115329 635706785 /nfs/dbraw/zinc/70/67/85/635706785.db2.gz SOHNPUWAZLPDTE-LLVKDONJSA-N 1 1 279.689 3.081 20 30 CGEDMO N#CCC1(C[N@H+]2CCC[C@@H](OC3CCC3)CC2)CC1 ZINC000879471817 635794000 /nfs/dbraw/zinc/79/40/00/635794000.db2.gz GJEDCFJLFIDYAF-OAHLLOKOSA-N 1 1 262.397 3.104 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879557619 635809353 /nfs/dbraw/zinc/80/93/53/635809353.db2.gz DETSNSGIJRSNNH-STQMWFEESA-N 1 1 252.427 3.001 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879564631 635811600 /nfs/dbraw/zinc/81/16/00/635811600.db2.gz IBWMXRCLPREISP-TZMCWYRMSA-N 1 1 292.835 3.397 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879564631 635811604 /nfs/dbraw/zinc/81/16/04/635811604.db2.gz IBWMXRCLPREISP-TZMCWYRMSA-N 1 1 292.835 3.397 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)cc1C#N ZINC000879566080 635812295 /nfs/dbraw/zinc/81/22/95/635812295.db2.gz ZTLPFDVPGQFJOL-ZBFHGGJFSA-N 1 1 272.417 3.052 20 30 CGEDMO C[N@@H+](Cc1ccc2cc[nH]c2c1)C[C@@H](C#N)CCC#N ZINC000879727790 635844076 /nfs/dbraw/zinc/84/40/76/635844076.db2.gz KVNBMRPNAUTQSI-CQSZACIVSA-N 1 1 266.348 3.043 20 30 CGEDMO C[N@H+](Cc1ccc2cc[nH]c2c1)C[C@@H](C#N)CCC#N ZINC000879727790 635844079 /nfs/dbraw/zinc/84/40/79/635844079.db2.gz KVNBMRPNAUTQSI-CQSZACIVSA-N 1 1 266.348 3.043 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](c2cc(C(C)C)n[nH]2)C1 ZINC000879918920 635883089 /nfs/dbraw/zinc/88/30/89/635883089.db2.gz KHFVUNBXLBZGFO-CABCVRRESA-N 1 1 291.439 3.040 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000879918920 635883094 /nfs/dbraw/zinc/88/30/94/635883094.db2.gz KHFVUNBXLBZGFO-CABCVRRESA-N 1 1 291.439 3.040 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000879918920 635883095 /nfs/dbraw/zinc/88/30/95/635883095.db2.gz KHFVUNBXLBZGFO-CABCVRRESA-N 1 1 291.439 3.040 20 30 CGEDMO C[N@@H+](CCSC(C)(C)C)C[C@H](O)c1cccc(C#N)c1 ZINC000844371447 635883150 /nfs/dbraw/zinc/88/31/50/635883150.db2.gz OOEJQLKIDXXSEA-HNNXBMFYSA-N 1 1 292.448 3.055 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@]3(CCc4ccccc43)C2)C1 ZINC000879996615 635892658 /nfs/dbraw/zinc/89/26/58/635892658.db2.gz KCGIBACLRBYSNV-HFTRVMKXSA-N 1 1 266.388 3.269 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844435323 635899932 /nfs/dbraw/zinc/89/99/32/635899932.db2.gz CBEZIWDKYLOHFW-AWEZNQCLSA-N 1 1 280.293 3.319 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844435323 635899933 /nfs/dbraw/zinc/89/99/33/635899933.db2.gz CBEZIWDKYLOHFW-AWEZNQCLSA-N 1 1 280.293 3.319 20 30 CGEDMO C#CCC[N@@H+]1CCCSC[C@@H]1c1ccccc1OC ZINC000880176662 635928246 /nfs/dbraw/zinc/92/82/46/635928246.db2.gz RFFAFNOFNKXLTQ-OAHLLOKOSA-N 1 1 275.417 3.199 20 30 CGEDMO C=C[C@@H](C)O[NH+]=C(C)c1ccc(N2CCCC2)cc1O ZINC000844621518 635943945 /nfs/dbraw/zinc/94/39/45/635943945.db2.gz ILMOJFVPIQGBHI-GFCCVEGCSA-N 1 1 274.364 3.308 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](CF)C1 ZINC000880236774 635946812 /nfs/dbraw/zinc/94/68/12/635946812.db2.gz IJMIMTYDQHKDRV-NSHDSACASA-N 1 1 266.747 3.393 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](CF)C1 ZINC000880236774 635946820 /nfs/dbraw/zinc/94/68/20/635946820.db2.gz IJMIMTYDQHKDRV-NSHDSACASA-N 1 1 266.747 3.393 20 30 CGEDMO C=CCCCC[N@H+]1CCn2cnc(C(F)(F)F)c2C1 ZINC000880270640 635960471 /nfs/dbraw/zinc/96/04/71/635960471.db2.gz ASNFURSNQIBJTF-UHFFFAOYSA-N 1 1 273.302 3.074 20 30 CGEDMO C[C@@H]1c2sccc2CC[N@H+]1Cc1ccc(C#N)o1 ZINC000880376163 635987631 /nfs/dbraw/zinc/98/76/31/635987631.db2.gz OZYHFJZUVLVCPT-SNVBAGLBSA-N 1 1 258.346 3.332 20 30 CGEDMO C[C@@H]1c2sccc2CC[N@@H+]1Cc1ccc(C#N)o1 ZINC000880376163 635987635 /nfs/dbraw/zinc/98/76/35/635987635.db2.gz OZYHFJZUVLVCPT-SNVBAGLBSA-N 1 1 258.346 3.332 20 30 CGEDMO CC[N@H+](Cc1ccc(C#N)cc1F)[C@@H](CO)c1ccccc1 ZINC000880459043 636004025 /nfs/dbraw/zinc/00/40/25/636004025.db2.gz AXKLBLPSTRFXJY-SFHVURJKSA-N 1 1 298.361 3.253 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)cc1F)[C@@H](CO)c1ccccc1 ZINC000880459043 636004027 /nfs/dbraw/zinc/00/40/27/636004027.db2.gz AXKLBLPSTRFXJY-SFHVURJKSA-N 1 1 298.361 3.253 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)CC1(Br)CC1 ZINC000846847473 636259207 /nfs/dbraw/zinc/25/92/07/636259207.db2.gz JDTSBRDHUQZWLQ-UHFFFAOYSA-N 1 1 284.197 3.238 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@@H](C)c2ccc(C)s2)nn1 ZINC000846853505 636260618 /nfs/dbraw/zinc/26/06/18/636260618.db2.gz FKYWLNLQPPCPLH-LBPRGKRZSA-N 1 1 276.409 3.075 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000847022936 636313951 /nfs/dbraw/zinc/31/39/51/636313951.db2.gz KCERNYWFNURJDU-HUUCEWRRSA-N 1 1 295.386 3.451 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000847023139 636315019 /nfs/dbraw/zinc/31/50/19/636315019.db2.gz BAWRDSKZDBXRBY-CQSZACIVSA-N 1 1 257.764 3.037 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000847027747 636316775 /nfs/dbraw/zinc/31/67/75/636316775.db2.gz WOMWDYZJPUPVPZ-LLVKDONJSA-N 1 1 278.739 3.093 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000847027747 636316780 /nfs/dbraw/zinc/31/67/80/636316780.db2.gz WOMWDYZJPUPVPZ-LLVKDONJSA-N 1 1 278.739 3.093 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(-c3ccc(OC)cc3)no2)C1 ZINC000847026950 636317189 /nfs/dbraw/zinc/31/71/89/636317189.db2.gz IMACMUVSXNPWIO-CQSZACIVSA-N 1 1 296.370 3.195 20 30 CGEDMO C=CCC[C@@H](C)[NH2+][C@@H](C)C(=O)OCc1ccccc1 ZINC000848921792 636692473 /nfs/dbraw/zinc/69/24/73/636692473.db2.gz XCSMGMKCMPBHIN-KGLIPLIRSA-N 1 1 261.365 3.063 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC000848923506 636694352 /nfs/dbraw/zinc/69/43/52/636694352.db2.gz FYAOOCXLFMNANA-CQSZACIVSA-N 1 1 297.377 3.071 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccccc2OCC=C)C1 ZINC000848924213 636695489 /nfs/dbraw/zinc/69/54/89/636695489.db2.gz XPFATZQJZGKMDA-HNNXBMFYSA-N 1 1 255.361 3.097 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000848924149 636695752 /nfs/dbraw/zinc/69/57/52/636695752.db2.gz OQUZQXLQRQHNGU-GFCCVEGCSA-N 1 1 285.416 3.118 20 30 CGEDMO C[C@@H](CC#N)[NH2+]Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000849321496 636808797 /nfs/dbraw/zinc/80/87/97/636808797.db2.gz GKCXWZZKSWFVKK-LBPRGKRZSA-N 1 1 289.379 3.425 20 30 CGEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@@H]2c2cccs2)CCC1 ZINC000885931194 637317418 /nfs/dbraw/zinc/31/74/18/637317418.db2.gz QBQFGRYBEYOZKN-UONOGXRCSA-N 1 1 290.432 3.330 20 30 CGEDMO CC[N@H+](Cc1cccs1)C[C@@H](O)CC1(C#N)CCC1 ZINC000885933531 637320294 /nfs/dbraw/zinc/32/02/94/637320294.db2.gz WVCNLHZYOMKLJT-ZDUSSCGKSA-N 1 1 278.421 3.015 20 30 CGEDMO C[N@@H+](C[C@@H](O)CC1(C#N)CCC1)[C@@H]1CCc2ccccc21 ZINC000885949112 637326393 /nfs/dbraw/zinc/32/63/93/637326393.db2.gz OLPKVEKNTRTILX-DOTOQJQBSA-N 1 1 284.403 3.051 20 30 CGEDMO Cc1ccc([C@H](C)[N@@H+](C)C[C@@H](O)CC2(C#N)CCC2)cc1 ZINC000885955931 637328886 /nfs/dbraw/zinc/32/88/86/637328886.db2.gz CUZIXYWLVCJXLP-RDJZCZTQSA-N 1 1 286.419 3.433 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@@H+](C2CC2)C2CCCCC2)CCC1 ZINC000885956073 637330170 /nfs/dbraw/zinc/33/01/70/637330170.db2.gz HGUXCOLZTSWWBL-MRXNPFEDSA-N 1 1 276.424 3.228 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@@H](c3ccccc3)C2)CCC1 ZINC000886215396 637460021 /nfs/dbraw/zinc/46/00/21/637460021.db2.gz JRJDJAULDAUXMA-QZTJIDSGSA-N 1 1 298.430 3.311 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1F)[C@H]1CC[C@H](OC)C1 ZINC000851734552 637482617 /nfs/dbraw/zinc/48/26/17/637482617.db2.gz UORUTVBDPMVMLF-GJZGRUSLSA-N 1 1 263.356 3.381 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](CC(=O)Nc2c(CC)cccc2CC)C1 ZINC000886353068 637509644 /nfs/dbraw/zinc/50/96/44/637509644.db2.gz AXVYPBJCQYGZQG-OAHLLOKOSA-N 1 1 298.430 3.095 20 30 CGEDMO C#CC[C@@H]1CC[N@H+]([C@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000886356386 637510782 /nfs/dbraw/zinc/51/07/82/637510782.db2.gz YVOUYBXSIHLFAQ-HUUCEWRRSA-N 1 1 295.386 3.451 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2cc(Cl)nc(Cl)c2)C1 ZINC000886358301 637512817 /nfs/dbraw/zinc/51/28/17/637512817.db2.gz SNOAGSPFUDXPCG-JTQLQIEISA-N 1 1 269.175 3.234 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cc(Cl)nc(Cl)c2)C1 ZINC000886358301 637512823 /nfs/dbraw/zinc/51/28/23/637512823.db2.gz SNOAGSPFUDXPCG-JTQLQIEISA-N 1 1 269.175 3.234 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2coc(-c3cccc(OC)c3)n2)C1 ZINC000886366177 637515025 /nfs/dbraw/zinc/51/50/25/637515025.db2.gz YRZXKKCXUKNGPP-CQSZACIVSA-N 1 1 296.370 3.195 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CC[C@H](C)[C@H]2c2ccccc2)nn1 ZINC000886541269 637567452 /nfs/dbraw/zinc/56/74/52/637567452.db2.gz SQUORKYYAJJQCY-YJBOKZPZSA-N 1 1 296.418 3.437 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+][C@H](C)c1nnc(-c2cccs2)o1 ZINC000852098915 637591992 /nfs/dbraw/zinc/59/19/92/637591992.db2.gz ZDWCHGQSZCRXAT-YGRLFVJLSA-N 1 1 275.377 3.251 20 30 CGEDMO C#C[C@](C)(CC)[NH2+]Cc1coc(-c2ccc(F)cc2)n1 ZINC000852098495 637592999 /nfs/dbraw/zinc/59/29/99/637592999.db2.gz OSWPAWASAKCLDV-MRXNPFEDSA-N 1 1 272.323 3.372 20 30 CGEDMO C#C[C@](C)(CC)[NH2+]Cc1ncc(-c2ccccc2F)o1 ZINC000852103147 637596760 /nfs/dbraw/zinc/59/67/60/637596760.db2.gz YLAYPPBPFBRPLU-MRXNPFEDSA-N 1 1 272.323 3.372 20 30 CGEDMO N#C[C@@]1(c2ccccn2)CCC[N@H+](CCC2CCC2)C1 ZINC000852331339 637636478 /nfs/dbraw/zinc/63/64/78/637636478.db2.gz MHWMLXRCQQFVMA-KRWDZBQOSA-N 1 1 269.392 3.129 20 30 CGEDMO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CCC2CCC2)C1 ZINC000852331339 637636483 /nfs/dbraw/zinc/63/64/83/637636483.db2.gz MHWMLXRCQQFVMA-KRWDZBQOSA-N 1 1 269.392 3.129 20 30 CGEDMO C=CC[N@H+](Cc1cc(Cl)nc(Cl)c1)[C@@H](C)COC ZINC000852357675 637641501 /nfs/dbraw/zinc/64/15/01/637641501.db2.gz HBBWXHRPVNXJQV-JTQLQIEISA-N 1 1 289.206 3.411 20 30 CGEDMO C=CC[N@@H+](Cc1cc(Cl)nc(Cl)c1)[C@@H](C)COC ZINC000852357675 637641509 /nfs/dbraw/zinc/64/15/09/637641509.db2.gz HBBWXHRPVNXJQV-JTQLQIEISA-N 1 1 289.206 3.411 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886681069 637648400 /nfs/dbraw/zinc/64/84/00/637648400.db2.gz RKDKTPNJZOEPCQ-WMLDXEAASA-N 1 1 292.386 3.289 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886686082 637651444 /nfs/dbraw/zinc/65/14/44/637651444.db2.gz JKSHJGWMUUDGTM-OAHLLOKOSA-N 1 1 259.397 3.402 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](Cc2nc(C)cs2)C1 ZINC000886693541 637658642 /nfs/dbraw/zinc/65/86/42/637658642.db2.gz DFQVXJKSHXCOLH-CYBMUJFWSA-N 1 1 250.411 3.282 20 30 CGEDMO C=CCC1(O)CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000886759668 637679237 /nfs/dbraw/zinc/67/92/37/637679237.db2.gz MFIYJCYFCMAPSR-UHFFFAOYSA-N 1 1 298.386 3.245 20 30 CGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H](C3CCC3)C2)cc1 ZINC000852673779 637692920 /nfs/dbraw/zinc/69/29/20/637692920.db2.gz LRXZRWSCIHIGLS-ZWKOTPCHSA-N 1 1 284.403 3.104 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1ccccc1C1CC1 ZINC000852749969 637706753 /nfs/dbraw/zinc/70/67/53/637706753.db2.gz JUWHXSNABKAYAI-UHFFFAOYSA-N 1 1 257.377 3.036 20 30 CGEDMO C[C@H]([NH2+]Cc1ccncc1C#N)c1ccc2c(c1)CCCO2 ZINC000852781298 637711542 /nfs/dbraw/zinc/71/15/42/637711542.db2.gz SLJMTAWGCQECDA-ZDUSSCGKSA-N 1 1 293.370 3.129 20 30 CGEDMO Clc1cc(N=NC2CCC[N@H+]3CCCC[C@H]23)ccn1 ZINC000853397888 637835810 /nfs/dbraw/zinc/83/58/10/637835810.db2.gz XBDXJSBFBCIIFZ-CYBMUJFWSA-N 1 1 278.787 3.151 20 30 CGEDMO C=CC[C@@H]1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000855436377 638197041 /nfs/dbraw/zinc/19/70/41/638197041.db2.gz ABPORNJELLIKKO-PBHICJAKSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cccs1 ZINC000114205778 638355809 /nfs/dbraw/zinc/35/58/09/638355809.db2.gz AMFBAFGXHPPLSB-UHFFFAOYSA-N 1 1 296.436 3.261 20 30 CGEDMO C=CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1cccs1 ZINC000114205778 638355814 /nfs/dbraw/zinc/35/58/14/638355814.db2.gz AMFBAFGXHPPLSB-UHFFFAOYSA-N 1 1 296.436 3.261 20 30 CGEDMO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1cc(COC(C)(C)C)on1 ZINC000926216273 638742548 /nfs/dbraw/zinc/74/25/48/638742548.db2.gz ISUGRDVIVGCDPG-LBPRGKRZSA-N 1 1 293.411 3.408 20 30 CGEDMO CC(C)(CC#N)C[NH2+][C@H]1COCc2cccc(Cl)c21 ZINC000926569765 638786416 /nfs/dbraw/zinc/78/64/16/638786416.db2.gz UWSGQXHXUWORNJ-ZDUSSCGKSA-N 1 1 278.783 3.441 20 30 CGEDMO C=CCn1cc(C[NH2+][C@H](C)c2coc3ccccc23)nn1 ZINC000926615867 638791459 /nfs/dbraw/zinc/79/14/59/638791459.db2.gz SIRIZRSHPLKTCQ-GFCCVEGCSA-N 1 1 282.347 3.061 20 30 CGEDMO C=CCCC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCOC ZINC000926781815 638811056 /nfs/dbraw/zinc/81/10/56/638811056.db2.gz ULCICPAAPJNNFV-ALOPSCKCSA-N 1 1 294.483 3.210 20 30 CGEDMO C=CCn1ncc2ccc(N[C@H]3C[C@H](C)[N@H+](C4CC4)C3)cc21 ZINC000927068873 638837614 /nfs/dbraw/zinc/83/76/14/638837614.db2.gz ZNFLPZMBEFGUJF-BBRMVZONSA-N 1 1 296.418 3.259 20 30 CGEDMO C[N@@H+](Cc1cncc(C#N)c1)[C@@H]1CCCc2ccccc21 ZINC000929129106 638900963 /nfs/dbraw/zinc/90/09/63/638900963.db2.gz HGRQVCTWLXDJKI-GOSISDBHSA-N 1 1 277.371 3.463 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCC[C@H](c3cc[nH]n3)C2)CCC1 ZINC000929296235 638916381 /nfs/dbraw/zinc/91/63/81/638916381.db2.gz PCLVMMGLFGLYDK-HNNXBMFYSA-N 1 1 286.423 3.453 20 30 CGEDMO N#CC1(CCCC[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)CCC1 ZINC000929296235 638916382 /nfs/dbraw/zinc/91/63/82/638916382.db2.gz PCLVMMGLFGLYDK-HNNXBMFYSA-N 1 1 286.423 3.453 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCC[C@H](c3ccn[nH]3)C2)CCC1 ZINC000929296235 638916383 /nfs/dbraw/zinc/91/63/83/638916383.db2.gz PCLVMMGLFGLYDK-HNNXBMFYSA-N 1 1 286.423 3.453 20 30 CGEDMO CC[N@H+](Cc1nn(C)cc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000929331025 638918905 /nfs/dbraw/zinc/91/89/05/638918905.db2.gz NLTMKKXPEBIMDX-AWEZNQCLSA-N 1 1 282.391 3.183 20 30 CGEDMO CC[N@@H+](Cc1nn(C)cc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000929331025 638918908 /nfs/dbraw/zinc/91/89/08/638918908.db2.gz NLTMKKXPEBIMDX-AWEZNQCLSA-N 1 1 282.391 3.183 20 30 CGEDMO Cc1nc(C)c(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)[nH]1 ZINC000929378935 638922645 /nfs/dbraw/zinc/92/26/45/638922645.db2.gz GBIWLHUJAALEAY-UHFFFAOYSA-N 1 1 282.391 3.309 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC2(C1)CCOCC2 ZINC000929757968 638947643 /nfs/dbraw/zinc/94/76/43/638947643.db2.gz WIOOZFZYBWTIBI-UHFFFAOYSA-N 1 1 284.403 3.178 20 30 CGEDMO CCOC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000929777140 638949665 /nfs/dbraw/zinc/94/96/65/638949665.db2.gz ARTMWHGQEUECDF-GFCCVEGCSA-N 1 1 278.783 3.070 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCO[C@H](c3ccsc3)C2)CC1 ZINC000929829491 638955042 /nfs/dbraw/zinc/95/50/42/638955042.db2.gz ROPPRIYEDQKBGT-XUJLQICISA-N 1 1 290.432 3.451 20 30 CGEDMO CC(C)CC[C@@H]1CCC[N@H+]1Cc1cncc(C#N)c1 ZINC000929852451 638956940 /nfs/dbraw/zinc/95/69/40/638956940.db2.gz DCCFEVXVKQBDLB-INIZCTEOSA-N 1 1 257.381 3.354 20 30 CGEDMO CC(C)OC(=O)[C@@H]1CCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000929987024 638966566 /nfs/dbraw/zinc/96/65/66/638966566.db2.gz QOKWSODONORQPN-HNNXBMFYSA-N 1 1 292.423 3.267 20 30 CGEDMO CC[N@H+](Cc1ccncc1)CC1CCC(C#N)CC1 ZINC000930153665 638978024 /nfs/dbraw/zinc/97/80/24/638978024.db2.gz SWRLWHOPCHEXES-UHFFFAOYSA-N 1 1 257.381 3.233 20 30 CGEDMO C#CCCCCCC[NH+]1CCC(c2cc(C)[nH]n2)CC1 ZINC000930173178 638979122 /nfs/dbraw/zinc/97/91/22/638979122.db2.gz GVUIUSPGVFMNKX-UHFFFAOYSA-N 1 1 273.424 3.481 20 30 CGEDMO CC[C@@H]1C[N@H+](CCCCC2(C#N)CCC2)C[C@@H](C)[S@]1=O ZINC000930458566 639003048 /nfs/dbraw/zinc/00/30/48/639003048.db2.gz PUCDBMCMNLJGJD-STXHMFSFSA-N 1 1 296.480 3.082 20 30 CGEDMO CC[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)C[C@@H](C)[S@]1=O ZINC000930458566 639003050 /nfs/dbraw/zinc/00/30/50/639003050.db2.gz PUCDBMCMNLJGJD-STXHMFSFSA-N 1 1 296.480 3.082 20 30 CGEDMO Cc1cnn([C@H]2CC[N@@H+](CCCCC3(C#N)CCC3)C2)c1 ZINC000930526924 639018467 /nfs/dbraw/zinc/01/84/67/639018467.db2.gz UOJKQBZRTYSBCB-INIZCTEOSA-N 1 1 286.423 3.303 20 30 CGEDMO C#CC[C@H](CCOC)Nc1[nH+]ccc2ccc(C)cc21 ZINC000858858927 639031387 /nfs/dbraw/zinc/03/13/87/639031387.db2.gz VOEJOTDVPRYIGY-OAHLLOKOSA-N 1 1 268.360 3.384 20 30 CGEDMO CC(C)OC(=O)[C@@H]([NH2+]CCCCC1(C#N)CCC1)C(C)C ZINC000930635781 639043000 /nfs/dbraw/zinc/04/30/00/639043000.db2.gz HVMUFBKANZAMOB-HNNXBMFYSA-N 1 1 294.439 3.416 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2C2(O)CC2)c1 ZINC000930693855 639054441 /nfs/dbraw/zinc/05/44/41/639054441.db2.gz UYYYPIYWGBDSDE-HNNXBMFYSA-N 1 1 290.794 3.091 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCC1CN(C(=O)OC(C)(C)C)C1 ZINC000859064638 639069230 /nfs/dbraw/zinc/06/92/30/639069230.db2.gz RUSQGRBVLOVECH-UHFFFAOYSA-N 1 1 282.428 3.141 20 30 CGEDMO N#Cc1cncc(C[NH2+]C2(c3ccccc3F)CCC2)c1 ZINC000930817984 639072875 /nfs/dbraw/zinc/07/28/75/639072875.db2.gz BPYKMYBVVJEPOD-UHFFFAOYSA-N 1 1 281.334 3.261 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cncc(C#N)c2)CCc2ccc(F)cc21 ZINC000930864754 639079451 /nfs/dbraw/zinc/07/94/51/639079451.db2.gz IZINSCWFZDXAOW-CYBMUJFWSA-N 1 1 295.361 3.254 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)[C@H]1CCO ZINC000930971440 639093529 /nfs/dbraw/zinc/09/35/29/639093529.db2.gz QMODUGFUWLCZRO-LRDDRELGSA-N 1 1 292.810 3.195 20 30 CGEDMO C=CC[N@H+](Cc1cc(C(F)(F)F)nn1C)C(C)(C)C ZINC000931017532 639098268 /nfs/dbraw/zinc/09/82/68/639098268.db2.gz SBBZPKZNCVOIOJ-UHFFFAOYSA-N 1 1 275.318 3.225 20 30 CGEDMO C[C@]1(C(F)F)C[N@H+](CCCCC2(C#N)CCC2)CCO1 ZINC000931078833 639108645 /nfs/dbraw/zinc/10/86/45/639108645.db2.gz CDGCYGUUBXLGOC-CQSZACIVSA-N 1 1 286.366 3.207 20 30 CGEDMO C[C@]1(C(F)F)C[N@@H+](CCCCC2(C#N)CCC2)CCO1 ZINC000931078833 639108648 /nfs/dbraw/zinc/10/86/48/639108648.db2.gz CDGCYGUUBXLGOC-CQSZACIVSA-N 1 1 286.366 3.207 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CC3CC2(c2ccccc2)C3)c1 ZINC000931079002 639108684 /nfs/dbraw/zinc/10/86/84/639108684.db2.gz IIHUWIBVOABVCL-UHFFFAOYSA-N 1 1 275.355 3.074 20 30 CGEDMO C=CC1(CC(=O)NC[C@H]2CCC[N@H+](CC)C2)CCCCC1 ZINC000931125751 639114767 /nfs/dbraw/zinc/11/47/67/639114767.db2.gz KOOUGISMZYWWDZ-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO N#CC1CCC(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)CC1 ZINC000931173992 639121565 /nfs/dbraw/zinc/12/15/65/639121565.db2.gz ICKXXWZGKUYWJZ-CVSAEHQPSA-N 1 1 264.438 3.286 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC000931366463 639140950 /nfs/dbraw/zinc/14/09/50/639140950.db2.gz UEDLNSVNFXPQOT-GFCCVEGCSA-N 1 1 275.783 3.495 20 30 CGEDMO N#CCCCC[N@H+]1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC000931369637 639141522 /nfs/dbraw/zinc/14/15/22/639141522.db2.gz RKGQEXYGPXEDBV-CQSZACIVSA-N 1 1 282.391 3.436 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000859445287 639142611 /nfs/dbraw/zinc/14/26/11/639142611.db2.gz DXPUBYJSJJPDGY-ABAIWWIYSA-N 1 1 283.774 3.411 20 30 CGEDMO C[C@@]1(C2CCCCC2)CC[N@H+]1Cc1cncc(C#N)c1 ZINC000931572140 639172875 /nfs/dbraw/zinc/17/28/75/639172875.db2.gz XWKSVEDGQXXCPL-KRWDZBQOSA-N 1 1 269.392 3.498 20 30 CGEDMO C[C@H]1CC(F)(F)CC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000859835319 639235183 /nfs/dbraw/zinc/23/51/83/639235183.db2.gz RSUBYVBXOFXMKP-ZDUSSCGKSA-N 1 1 294.345 3.447 20 30 CGEDMO CCCCCCCCOC(=O)Cn1c[nH+]cc1C ZINC000859948197 639259239 /nfs/dbraw/zinc/25/92/39/639259239.db2.gz WFQGLRMPPLGVHR-UHFFFAOYSA-N 1 1 252.358 3.095 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2ccn(C)n2)C1 ZINC000932136437 639271384 /nfs/dbraw/zinc/27/13/84/639271384.db2.gz MVZDRKPHGDZQNF-RHSMWYFYSA-N 1 1 294.402 3.232 20 30 CGEDMO N#CCCCC[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000932198486 639293558 /nfs/dbraw/zinc/29/35/58/639293558.db2.gz KWWSBJMVZWXETM-ZDUSSCGKSA-N 1 1 263.410 3.091 20 30 CGEDMO Cn1nccc1[C@H]1CCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000932263729 639304726 /nfs/dbraw/zinc/30/47/26/639304726.db2.gz SVTZDSVONWGGJQ-QGZVFWFLSA-N 1 1 299.805 3.262 20 30 CGEDMO Cn1nccc1[C@H]1CCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000932263729 639304736 /nfs/dbraw/zinc/30/47/36/639304736.db2.gz SVTZDSVONWGGJQ-QGZVFWFLSA-N 1 1 299.805 3.262 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@H]1[C@@H](C)c1ccccc1 ZINC000932276576 639310281 /nfs/dbraw/zinc/31/02/81/639310281.db2.gz PIZCOZXYXCAQGY-VYDXJSESSA-N 1 1 272.392 3.183 20 30 CGEDMO C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000932333840 639314787 /nfs/dbraw/zinc/31/47/87/639314787.db2.gz BDYVNQZAQMMFLQ-NSHDSACASA-N 1 1 298.308 3.188 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000932333840 639314791 /nfs/dbraw/zinc/31/47/91/639314791.db2.gz BDYVNQZAQMMFLQ-NSHDSACASA-N 1 1 298.308 3.188 20 30 CGEDMO C#CC[N@@H+](Cc1nnc(-c2cc(C)oc2C)o1)C(C)(C)C ZINC000932463182 639337634 /nfs/dbraw/zinc/33/76/34/639337634.db2.gz AOYRBMVYRJGDOE-UHFFFAOYSA-N 1 1 287.363 3.180 20 30 CGEDMO C#CC[N@H+](Cc1nnc(-c2cc(C)oc2C)o1)C(C)(C)C ZINC000932463182 639337640 /nfs/dbraw/zinc/33/76/40/639337640.db2.gz AOYRBMVYRJGDOE-UHFFFAOYSA-N 1 1 287.363 3.180 20 30 CGEDMO C#CC[N@@H+](Cc1cncn1Cc1ccccc1)C(C)(C)C ZINC000932464300 639337905 /nfs/dbraw/zinc/33/79/05/639337905.db2.gz XFGIIWMNWUPIKZ-UHFFFAOYSA-N 1 1 281.403 3.165 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@@]1(C)Cc1cccs1 ZINC000932927384 639401378 /nfs/dbraw/zinc/40/13/78/639401378.db2.gz QKAHGTDQOCMONY-HIFRSBDPSA-N 1 1 278.421 3.074 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@@H](Cc2nc(C)cs2)C1 ZINC000933129250 639422607 /nfs/dbraw/zinc/42/26/07/639422607.db2.gz KBDHWBXYFIDPRB-ZDUSSCGKSA-N 1 1 250.411 3.282 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccccc1C#N)c1ccc2c(c1)CCO2 ZINC000933487733 639453711 /nfs/dbraw/zinc/45/37/11/639453711.db2.gz DVBNNTYDKDBOND-CYBMUJFWSA-N 1 1 278.355 3.344 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1ccc(OCC#N)cc1 ZINC000933779175 639488587 /nfs/dbraw/zinc/48/85/87/639488587.db2.gz YWGFAUXDWADJBG-UHFFFAOYSA-N 1 1 297.383 3.154 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](Cc3nccs3)C2)c1 ZINC000934329630 639584051 /nfs/dbraw/zinc/58/40/51/639584051.db2.gz IHEUQMGGWSQHPZ-HNNXBMFYSA-N 1 1 283.400 3.079 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000934472049 639614904 /nfs/dbraw/zinc/61/49/04/639614904.db2.gz YITLEWDSWWVNHG-KGLIPLIRSA-N 1 1 285.309 3.389 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1nc(-c2ccc(OCC)cc2)no1 ZINC000934471292 639615044 /nfs/dbraw/zinc/61/50/44/639615044.db2.gz INUDJJZGBSJLOL-CQSZACIVSA-N 1 1 299.374 3.286 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1nc(-c2ccc(OCC)cc2)no1 ZINC000934471292 639615049 /nfs/dbraw/zinc/61/50/49/639615049.db2.gz INUDJJZGBSJLOL-CQSZACIVSA-N 1 1 299.374 3.286 20 30 CGEDMO C=CCCC[N@@H+](CC)CC(=O)Nc1cccc(C(C)=O)c1 ZINC000934647001 639648455 /nfs/dbraw/zinc/64/84/55/639648455.db2.gz QXYSDEAAOPXRSL-UHFFFAOYSA-N 1 1 288.391 3.116 20 30 CGEDMO C=CCCC[N@H+](CC)CC(=O)Nc1cccc(C(C)=O)c1 ZINC000934647001 639648462 /nfs/dbraw/zinc/64/84/62/639648462.db2.gz QXYSDEAAOPXRSL-UHFFFAOYSA-N 1 1 288.391 3.116 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)s1 ZINC000934834302 639685122 /nfs/dbraw/zinc/68/51/22/639685122.db2.gz PTNVKDZIHGTXMV-KGLIPLIRSA-N 1 1 290.432 3.258 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000934838421 639687823 /nfs/dbraw/zinc/68/78/23/639687823.db2.gz PDTBPXHFLSBMHV-ZWKOTPCHSA-N 1 1 284.403 3.197 20 30 CGEDMO CCCCCCC[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159255662 640035990 /nfs/dbraw/zinc/03/59/90/640035990.db2.gz JFWNRODRSAMPBW-HOTGVXAUSA-N 1 1 295.423 3.374 20 30 CGEDMO CCCCCCC[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000159255662 640035997 /nfs/dbraw/zinc/03/59/97/640035997.db2.gz JFWNRODRSAMPBW-HOTGVXAUSA-N 1 1 295.423 3.374 20 30 CGEDMO CC[N@H+](Cc1cc2c(cc1O)CCCC2)C[C@H](C)C#N ZINC000160033397 640086580 /nfs/dbraw/zinc/08/65/80/640086580.db2.gz WBVJXEUTFNCSTK-CYBMUJFWSA-N 1 1 272.392 3.253 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OC)c(OC)c1)C1CCCCC1 ZINC000195733016 640593221 /nfs/dbraw/zinc/59/32/21/640593221.db2.gz JXDRUWJEVKFNEU-UHFFFAOYSA-N 1 1 287.403 3.472 20 30 CGEDMO C[C@H]1Cc2ccccc2C[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000246133654 640659820 /nfs/dbraw/zinc/65/98/20/640659820.db2.gz ZUKDIDXYAFVHEG-IFXJQAMLSA-N 1 1 292.382 3.038 20 30 CGEDMO CC(C)CC[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000246913079 640699120 /nfs/dbraw/zinc/69/91/20/640699120.db2.gz MSFBWTBWVQEPLW-QZTJIDSGSA-N 1 1 286.419 3.492 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)CCC2CC2)cc1 ZINC000092067112 640730596 /nfs/dbraw/zinc/73/05/96/640730596.db2.gz VVBQZMYKKOIVAF-CYBMUJFWSA-N 1 1 258.365 3.209 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC1CCCC1 ZINC001017316681 640744438 /nfs/dbraw/zinc/74/44/38/640744438.db2.gz LYAPHDIFNAKSMR-CALCHBBNSA-N 1 1 290.451 3.208 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CCC3(CCC3)C2)cc1 ZINC000093455919 640772433 /nfs/dbraw/zinc/77/24/33/640772433.db2.gz LRNRIXKKTCUUSP-UHFFFAOYSA-N 1 1 269.388 3.465 20 30 CGEDMO Cc1cc(C)cc(NC(=[NH2+])NC[C@H](CC(C)C)N(C)C)c1 ZINC000303781450 640842848 /nfs/dbraw/zinc/84/28/48/640842848.db2.gz MGXQEQCJCWNBGO-INIZCTEOSA-N 1 1 290.455 3.006 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C(C)=C2CCC2)C1 ZINC001007308549 640940864 /nfs/dbraw/zinc/94/08/64/640940864.db2.gz NYPFDEKICSIUNR-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C[C@H]2C=CCCC2)C1 ZINC001007608956 640943926 /nfs/dbraw/zinc/94/39/26/640943926.db2.gz NGEPHUPCNXSSII-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001009273454 640957191 /nfs/dbraw/zinc/95/71/91/640957191.db2.gz MKPKYSGTWJLOLR-ULQDDVLXSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C)cc2C)C1 ZINC001009393852 640958510 /nfs/dbraw/zinc/95/85/10/640958510.db2.gz GNCGNRFKIRJFGH-MRXNPFEDSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C(F)F)cc2)C1 ZINC001015862456 640986840 /nfs/dbraw/zinc/98/68/40/640986840.db2.gz ZXXHMCUIWNANJX-CQSZACIVSA-N 1 1 294.345 3.004 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001015902458 640987902 /nfs/dbraw/zinc/98/79/02/640987902.db2.gz JNJKERUJSNVETA-ULQDDVLXSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2oc3ccccc3c2C)C1 ZINC001016181544 640994661 /nfs/dbraw/zinc/99/46/61/640994661.db2.gz UNNVJISZERFFPQ-AWEZNQCLSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2coc3ccccc23)C1 ZINC001016401413 640998291 /nfs/dbraw/zinc/99/82/91/640998291.db2.gz GEKFCHWCJSDOQA-AWEZNQCLSA-N 1 1 298.386 3.203 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C(C)C ZINC001017602560 641014575 /nfs/dbraw/zinc/01/45/75/641014575.db2.gz XNLWHCYPSYGXNG-IYBDPMFKSA-N 1 1 298.430 3.285 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C(C)C ZINC001017602560 641014581 /nfs/dbraw/zinc/01/45/81/641014581.db2.gz XNLWHCYPSYGXNG-IYBDPMFKSA-N 1 1 298.430 3.285 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H](C)C1 ZINC001018024203 641019600 /nfs/dbraw/zinc/01/96/00/641019600.db2.gz PYSUNMOPQIZLBU-VQHPVUNQSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(C)C)cc1 ZINC001018211573 641020490 /nfs/dbraw/zinc/02/04/90/641020490.db2.gz IODUZXPMJSFBLU-HDICACEKSA-N 1 1 298.430 3.285 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C(C)C)cc1 ZINC001018211573 641020493 /nfs/dbraw/zinc/02/04/93/641020493.db2.gz IODUZXPMJSFBLU-HDICACEKSA-N 1 1 298.430 3.285 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1ccccc1 ZINC001018195531 641021075 /nfs/dbraw/zinc/02/10/75/641021075.db2.gz QIHUJSBPHIRMTH-NXHRZFHOSA-N 1 1 298.430 3.041 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)CCCCC ZINC001155653959 805599552 /nfs/dbraw/zinc/59/95/52/805599552.db2.gz JIGYMFVXHIXBQA-IAGOWNOFSA-N 1 1 294.483 3.443 20 30 CGEDMO Cc1[nH+]c(N(C)CC/C=C/c2cccnc2)ccc1CC#N ZINC001155977722 805635310 /nfs/dbraw/zinc/63/53/10/805635310.db2.gz ZOHDMLQCPWXTEF-ZZXKWVIFSA-N 1 1 292.386 3.391 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)CC(CC)CC ZINC001156030862 805643388 /nfs/dbraw/zinc/64/33/88/805643388.db2.gz GKCMMEVZZFDZRT-CQSZACIVSA-N 1 1 268.445 3.215 20 30 CGEDMO C[NH+](C)Cc1ccc2nc(-c3ccccc3C#N)[nH]c2c1 ZINC001250489177 805648914 /nfs/dbraw/zinc/64/89/14/805648914.db2.gz BSMRPXMPRHYJKJ-UHFFFAOYSA-N 1 1 276.343 3.163 20 30 CGEDMO Cc1cc(Cl)nc(NCC[C@H]2CCC[N@H+](C)C2)c1C#N ZINC001156380540 805680925 /nfs/dbraw/zinc/68/09/25/805680925.db2.gz GYXNHYKAGSJKGS-GFCCVEGCSA-N 1 1 292.814 3.059 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)c1ccccc1 ZINC001156490489 805703099 /nfs/dbraw/zinc/70/30/99/805703099.db2.gz GPPXBQKGLZBXHD-HZPDHXFCSA-N 1 1 288.435 3.193 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(C(C)C)cc1 ZINC001156589740 805716600 /nfs/dbraw/zinc/71/66/00/805716600.db2.gz AETMQGSYJLSAKL-OAHLLOKOSA-N 1 1 288.435 3.436 20 30 CGEDMO Cc1[nH+]c(N)ccc1CNc1nccc2ccc(C#N)cc21 ZINC001156974651 805760501 /nfs/dbraw/zinc/76/05/01/805760501.db2.gz QANYEMCWTCVFSD-UHFFFAOYSA-N 1 1 289.342 3.004 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC2CCC1CC2 ZINC001157158663 805785916 /nfs/dbraw/zinc/78/59/16/805785916.db2.gz IKHUZMOVNFNEKW-VXLLPVPCSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)/C=C/C(C)(C)C ZINC001157711439 805856228 /nfs/dbraw/zinc/85/62/28/805856228.db2.gz UGZWXYHHJIXJJF-LPQFERQCSA-N 1 1 292.467 3.478 20 30 CGEDMO N#Cc1c[nH]c2cc[nH+]c(N[C@@H]3CCNc4ccccc43)c12 ZINC001157838054 805884597 /nfs/dbraw/zinc/88/45/97/805884597.db2.gz VLPUFPNHGVRHBK-CQSZACIVSA-N 1 1 289.342 3.403 20 30 CGEDMO Cc1ccc(CC#N)c(N[C@H](C)CCCC(C)(C)O)[nH+]1 ZINC001157898176 805900908 /nfs/dbraw/zinc/90/09/08/805900908.db2.gz VEUKHEUIZCJZIF-GFCCVEGCSA-N 1 1 275.396 3.198 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC(C)(C)C=C ZINC001157999397 805912367 /nfs/dbraw/zinc/91/23/67/805912367.db2.gz HZTDGIOYQUHFDL-OAHLLOKOSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CCCC12CC2 ZINC001158123808 805922387 /nfs/dbraw/zinc/92/23/87/805922387.db2.gz CQEKTSGTQPTUOH-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C#C[C@@](C)(CC)Nc1[nH+]ccc2c3c([nH]c21)CCC3 ZINC001158743504 805994972 /nfs/dbraw/zinc/99/49/72/805994972.db2.gz VXYGURWVPYYNRC-INIZCTEOSA-N 1 1 253.349 3.265 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCCN(CC)CC1 ZINC001252121469 806008023 /nfs/dbraw/zinc/00/80/23/806008023.db2.gz GMECUZBFRONESL-QGZVFWFLSA-N 1 1 284.488 3.126 20 30 CGEDMO CCCCCCCC[C@@H](O)CN1CCC[N@H+](CC)CC1 ZINC001252121469 806008032 /nfs/dbraw/zinc/00/80/32/806008032.db2.gz GMECUZBFRONESL-QGZVFWFLSA-N 1 1 284.488 3.126 20 30 CGEDMO CCCCCCCC[C@@H](O)CN1CCC[N@@H+](CC)CC1 ZINC001252121469 806008042 /nfs/dbraw/zinc/00/80/42/806008042.db2.gz GMECUZBFRONESL-QGZVFWFLSA-N 1 1 284.488 3.126 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+](CC)CCOC ZINC001252122076 806009376 /nfs/dbraw/zinc/00/93/76/806009376.db2.gz PICHTWLNFBEHSB-OAHLLOKOSA-N 1 1 259.434 3.066 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+]1CCC[C@H](C#N)C1 ZINC001252129687 806015229 /nfs/dbraw/zinc/01/52/29/806015229.db2.gz BHKRRGFJMGOETK-CVEARBPZSA-N 1 1 266.429 3.333 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@H](C#N)C1 ZINC001252129687 806015238 /nfs/dbraw/zinc/01/52/38/806015238.db2.gz BHKRRGFJMGOETK-CVEARBPZSA-N 1 1 266.429 3.333 20 30 CGEDMO Cc1[nH+]c(N[C@@H]2C[C@H]2c2ccccc2)ccc1CC#N ZINC001158840206 806011991 /nfs/dbraw/zinc/01/19/91/806011991.db2.gz BRNDKQORJLCCOV-JKSUJKDBSA-N 1 1 263.344 3.424 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CC[C@@](C)(O)[C@@H](C)C1 ZINC001252122969 806011932 /nfs/dbraw/zinc/01/19/32/806011932.db2.gz AXLSYBFJHUGQJK-YESZJQIVSA-N 1 1 285.472 3.191 20 30 CGEDMO CCCCCCCC[C@H](O)C[NH+]1CCN(CC2CC2)CC1 ZINC001252127562 806012382 /nfs/dbraw/zinc/01/23/82/806012382.db2.gz BRSAVWQJFIZVLF-SFHVURJKSA-N 1 1 296.499 3.126 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+](C)CCN1CCCC1 ZINC001252130495 806016141 /nfs/dbraw/zinc/01/61/41/806016141.db2.gz RTIOJEQDPKRNJL-QGZVFWFLSA-N 1 1 284.488 3.126 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+](C)CCN1CCCC1 ZINC001252130495 806016149 /nfs/dbraw/zinc/01/61/49/806016149.db2.gz RTIOJEQDPKRNJL-QGZVFWFLSA-N 1 1 284.488 3.126 20 30 CGEDMO CCCCCCCC[C@@H](O)C[NH2+]C[C@H]1CCCN(C)C1 ZINC001252133624 806020607 /nfs/dbraw/zinc/02/06/07/806020607.db2.gz KDMXRGHCAJRKKM-IAGOWNOFSA-N 1 1 284.488 3.029 20 30 CGEDMO CCCCCCCC[C@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001252136106 806022680 /nfs/dbraw/zinc/02/26/80/806022680.db2.gz MNGRVQGHHGGFOZ-MHORFTMASA-N 1 1 296.499 3.313 20 30 CGEDMO C=CCOC[C@@H](O)C[N@H+](C)C1CCC(C(C)(C)C)CC1 ZINC001252471596 806049031 /nfs/dbraw/zinc/04/90/31/806049031.db2.gz ZLGWTAFFLIBYIM-GPANFISMSA-N 1 1 283.456 3.087 20 30 CGEDMO C[N@@H+](Cc1ccc(NCc2ccc(C#N)s2)nc1)C1CC1 ZINC001159179819 806056571 /nfs/dbraw/zinc/05/65/71/806056571.db2.gz GGCXPIKKESHRQC-UHFFFAOYSA-N 1 1 298.415 3.221 20 30 CGEDMO C=C[C@](C)(O)C[N@H+](Cc1cccc(C)c1C)C1CC1 ZINC001252556250 806064312 /nfs/dbraw/zinc/06/43/12/806064312.db2.gz FLFWOFFXDGCRJT-KRWDZBQOSA-N 1 1 259.393 3.205 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1[C@H](CC)CO[C@@]1(C)CCC(C)C ZINC001252560298 806065608 /nfs/dbraw/zinc/06/56/08/806065608.db2.gz QXCLEWCCESRNDU-PMPSAXMXSA-N 1 1 269.429 3.187 20 30 CGEDMO C=C[C@](C)(O)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC001252559710 806066572 /nfs/dbraw/zinc/06/65/72/806066572.db2.gz BFDOCHGYDBDSQC-ZDUSSCGKSA-N 1 1 274.191 3.362 20 30 CGEDMO C=C(Cl)C[N@H+]1CC=C(CCNC(=O)CCCCC)CC1 ZINC001159265007 806070220 /nfs/dbraw/zinc/07/02/20/806070220.db2.gz BIUBCAMHQXSCON-UHFFFAOYSA-N 1 1 298.858 3.458 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)CCCCC)CC1 ZINC001159265007 806070227 /nfs/dbraw/zinc/07/02/27/806070227.db2.gz BIUBCAMHQXSCON-UHFFFAOYSA-N 1 1 298.858 3.458 20 30 CGEDMO C=C[C@@](C)(O)CNc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC001252566191 806070395 /nfs/dbraw/zinc/07/03/95/806070395.db2.gz ZWOFOJACSUMYLC-GOSISDBHSA-N 1 1 299.418 3.404 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccccn1 ZINC001252593503 806079096 /nfs/dbraw/zinc/07/90/96/806079096.db2.gz JAENYOQEKUBPLK-LJQANCHMSA-N 1 1 296.414 3.411 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)/C=C/C(C)(C)C)CC1 ZINC001159595168 806127441 /nfs/dbraw/zinc/12/74/41/806127441.db2.gz WSJIAINDZFYCAZ-YRNVUSSQSA-N 1 1 290.451 3.303 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[N@H+]1C[C@H](C)[C@H](O)C1 ZINC001252978987 806143729 /nfs/dbraw/zinc/14/37/29/806143729.db2.gz HTZVEGNQZDYRBV-GVDBMIGSSA-N 1 1 285.472 3.191 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[N@H+]1CCC[C@@H]1CO ZINC001252980609 806145148 /nfs/dbraw/zinc/14/51/48/806145148.db2.gz WSPHKLMHOWRJLL-IAGOWNOFSA-N 1 1 285.472 3.335 20 30 CGEDMO C=CCCCCCC[C@H](O)CNc1[nH+]cccc1N(C)C ZINC001253233483 806187128 /nfs/dbraw/zinc/18/71/28/806187128.db2.gz GFBJYHXMNAFOFO-HNNXBMFYSA-N 1 1 291.439 3.447 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+](C)[C@H]1CC[C@H](O)CC1 ZINC001253235595 806188043 /nfs/dbraw/zinc/18/80/43/806188043.db2.gz MCUDWNLPBITVDW-ULQDDVLXSA-N 1 1 283.456 3.109 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCC[C@@H](F)C1 ZINC001253240091 806189872 /nfs/dbraw/zinc/18/98/72/806189872.db2.gz YVLCTZIHVACDPQ-CABCVRRESA-N 1 1 257.393 3.308 20 30 CGEDMO C=CCCCCCC[C@H](O)C[NH+]1CCN(C(C)(C)C)CC1 ZINC001253241060 806192303 /nfs/dbraw/zinc/19/23/03/806192303.db2.gz RLLBLWIBMPMSLR-KRWDZBQOSA-N 1 1 296.499 3.290 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CCN(CC)CC1(C)C ZINC001253242561 806192440 /nfs/dbraw/zinc/19/24/40/806192440.db2.gz NFNDKESPGXKLGO-KRWDZBQOSA-N 1 1 296.499 3.290 20 30 CGEDMO C=CCCCCCC[C@H](O)CN1CC[N@@H+](CC)CC1(C)C ZINC001253242561 806192445 /nfs/dbraw/zinc/19/24/45/806192445.db2.gz NFNDKESPGXKLGO-KRWDZBQOSA-N 1 1 296.499 3.290 20 30 CGEDMO C=CCCCCCC[C@H](O)CN1CC[N@H+](CC)CC1(C)C ZINC001253242561 806192450 /nfs/dbraw/zinc/19/24/50/806192450.db2.gz NFNDKESPGXKLGO-KRWDZBQOSA-N 1 1 296.499 3.290 20 30 CGEDMO Cc1[nH+]c(N[C@@H]2CCc3ccc(O)cc3C2)ccc1CC#N ZINC001159895813 806192917 /nfs/dbraw/zinc/19/29/17/806192917.db2.gz LWCNVIMWXFZNIU-MRXNPFEDSA-N 1 1 293.370 3.131 20 30 CGEDMO C=CCCCC[N@H+](C)C[C@H](O)c1ccc(F)c(F)c1 ZINC001253361276 806210009 /nfs/dbraw/zinc/21/00/09/806210009.db2.gz QUMJTGMTSWXNMW-HNNXBMFYSA-N 1 1 269.335 3.286 20 30 CGEDMO C=CCC(CC=C)C(=O)NCCC1=CC[N@@H+](CCC)CC1 ZINC001160252999 806241972 /nfs/dbraw/zinc/24/19/72/806241972.db2.gz FKDWRDZOAKMHHW-UHFFFAOYSA-N 1 1 290.451 3.303 20 30 CGEDMO C=C[C@@H](O)C[N@H+]1CC[C@H](c2cccc(Cl)c2Cl)C1 ZINC001253578860 806262985 /nfs/dbraw/zinc/26/29/85/806262985.db2.gz ISTIKLBEMHQCIL-WDEREUQCSA-N 1 1 286.202 3.330 20 30 CGEDMO C=C[C@@H](O)C[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC001253579188 806264009 /nfs/dbraw/zinc/26/40/09/806264009.db2.gz NLXABFVAYLCYAF-RISCZKNCSA-N 1 1 251.757 3.024 20 30 CGEDMO C=C[C@H](O)C[N@H+](CC)Cc1ccc(Cl)cc1Cl ZINC001253584189 806265617 /nfs/dbraw/zinc/26/56/17/806265617.db2.gz FAALNXLJNVSBFW-LBPRGKRZSA-N 1 1 274.191 3.362 20 30 CGEDMO C=C(Cl)C[N@H+]1CC=C(CCNC(=O)CC2(C)CC2)CC1 ZINC001160700306 806296709 /nfs/dbraw/zinc/29/67/09/806296709.db2.gz UQORENZCGNSGLK-UHFFFAOYSA-N 1 1 296.842 3.068 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)CC2(C)CC2)CC1 ZINC001160700306 806296715 /nfs/dbraw/zinc/29/67/15/806296715.db2.gz UQORENZCGNSGLK-UHFFFAOYSA-N 1 1 296.842 3.068 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2C)CC1 ZINC001160937401 806326458 /nfs/dbraw/zinc/32/64/58/806326458.db2.gz DBSJNVIAOQFZHJ-BFYDXBDKSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1ncc2scc(C)c2n1 ZINC001160953886 806328387 /nfs/dbraw/zinc/32/83/87/806328387.db2.gz LDAWMFGVPSLKKT-LBPRGKRZSA-N 1 1 288.420 3.062 20 30 CGEDMO CC(C)(C)c1ccc(NCc2cncc(C#N)c2)[nH+]c1 ZINC001160995901 806334943 /nfs/dbraw/zinc/33/49/43/806334943.db2.gz VZQYVSVOKVTOIC-UHFFFAOYSA-N 1 1 266.348 3.258 20 30 CGEDMO N#Cc1c[nH]c2cc[nH+]c(NCCCc3cccc(N)c3)c12 ZINC001161010337 806335740 /nfs/dbraw/zinc/33/57/40/806335740.db2.gz YMQOJCAMZNWOKB-UHFFFAOYSA-N 1 1 291.358 3.061 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H]2CC)CC1 ZINC001161125789 806350328 /nfs/dbraw/zinc/35/03/28/806350328.db2.gz AUQOGMHYJDOHQW-IAGOWNOFSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)[C@H](C)CC)CC1 ZINC001161605038 806397283 /nfs/dbraw/zinc/39/72/83/806397283.db2.gz QQPAGKRDVXTLMA-CVEARBPZSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2nc3c(s2)C[C@@H](C)CC3)C1 ZINC001254646101 806470456 /nfs/dbraw/zinc/47/04/56/806470456.db2.gz VAIRVSXAQSDFLX-STQMWFEESA-N 1 1 292.448 3.045 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2nc3c(s2)C[C@@H](C)CC3)C1 ZINC001254646101 806470459 /nfs/dbraw/zinc/47/04/59/806470459.db2.gz VAIRVSXAQSDFLX-STQMWFEESA-N 1 1 292.448 3.045 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc(CC)s2)C1 ZINC001254644904 806470326 /nfs/dbraw/zinc/47/03/26/806470326.db2.gz BFZOJSRJDGOJRL-GFCCVEGCSA-N 1 1 251.395 3.087 20 30 CGEDMO N#C[C@@H]1CC[C@H]([NH2+]Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC001254657841 806477644 /nfs/dbraw/zinc/47/76/44/806477644.db2.gz RNZKBUDRHDCBEJ-RISCZKNCSA-N 1 1 285.322 3.263 20 30 CGEDMO Cc1ccc([C@]2(C)C[N@@H+]([C@H]3CC[C@@H](C#N)C3)CCO2)cc1 ZINC001254668669 806480078 /nfs/dbraw/zinc/48/00/78/806480078.db2.gz HPRPULKFMSHBBI-NJAFHUGGSA-N 1 1 284.403 3.235 20 30 CGEDMO Cc1ccc([C@]2(C)C[N@H+]([C@H]3CC[C@@H](C#N)C3)CCO2)cc1 ZINC001254668669 806480081 /nfs/dbraw/zinc/48/00/81/806480081.db2.gz HPRPULKFMSHBBI-NJAFHUGGSA-N 1 1 284.403 3.235 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](Sc3ccncc3)C2)C1 ZINC001254669912 806480227 /nfs/dbraw/zinc/48/02/27/806480227.db2.gz WUVPRNHTBBGAHK-YCPHGPKFSA-N 1 1 287.432 3.330 20 30 CGEDMO CN1CCC([N@@H+](C2CCCC2)[C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254680768 806484450 /nfs/dbraw/zinc/48/44/50/806484450.db2.gz ZWAJHBMKMAGIMB-WMLDXEAASA-N 1 1 275.440 3.017 20 30 CGEDMO CCCCCCCC[N@@H+](CCN)C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254929619 806511377 /nfs/dbraw/zinc/51/13/77/806511377.db2.gz VPKNJEYOGSRROM-HOTGVXAUSA-N 1 1 294.483 3.365 20 30 CGEDMO CCCCCCCCN(CC[NH3+])C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254929619 806511382 /nfs/dbraw/zinc/51/13/82/806511382.db2.gz VPKNJEYOGSRROM-HOTGVXAUSA-N 1 1 294.483 3.365 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]C1(c2ccccc2F)CCOCC1 ZINC001255159813 806557952 /nfs/dbraw/zinc/55/79/52/806557952.db2.gz CAQKUSMQTFIYJM-ZDUSSCGKSA-N 1 1 276.355 3.113 20 30 CGEDMO C[N@H+]1CCC[C@@](C)(Nc2nccc3ccc(C#N)cc32)C1 ZINC001162340506 806558154 /nfs/dbraw/zinc/55/81/54/806558154.db2.gz CWYMICQNEMKQGO-QGZVFWFLSA-N 1 1 280.375 3.003 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC001255162759 806561106 /nfs/dbraw/zinc/56/11/06/806561106.db2.gz YGBVIKAWULBNLX-HNNXBMFYSA-N 1 1 276.355 3.113 20 30 CGEDMO CC[C@@H](CC#N)[N@H+](CCCC(=O)OC)Cc1ccccc1 ZINC001255165764 806562558 /nfs/dbraw/zinc/56/25/58/806562558.db2.gz CZTNBHJNWKIEEI-INIZCTEOSA-N 1 1 288.391 3.134 20 30 CGEDMO CC[C@@H](CC#N)[N@@H+](CCCC(=O)OC)Cc1ccccc1 ZINC001255165764 806562563 /nfs/dbraw/zinc/56/25/63/806562563.db2.gz CZTNBHJNWKIEEI-INIZCTEOSA-N 1 1 288.391 3.134 20 30 CGEDMO CC[C@@H](CC#N)[N@@H+]1CCC[C@@H](Sc2ccncc2)C1 ZINC001255173684 806567420 /nfs/dbraw/zinc/56/74/20/806567420.db2.gz OGKGLMFBHBCUID-DZGCQCFKSA-N 1 1 275.421 3.330 20 30 CGEDMO CC[C@@H](CC#N)[N@H+]1CCC[C@@H](Sc2ccncc2)C1 ZINC001255173684 806567425 /nfs/dbraw/zinc/56/74/25/806567425.db2.gz OGKGLMFBHBCUID-DZGCQCFKSA-N 1 1 275.421 3.330 20 30 CGEDMO CC[C@@H](CC#N)[N@@H+]1CCC[C@@H](OCc2ccccc2)C1 ZINC001255175218 806568212 /nfs/dbraw/zinc/56/82/12/806568212.db2.gz NVEBOVRASOMRCL-DLBZAZTESA-N 1 1 272.392 3.360 20 30 CGEDMO CC[C@@H](CC#N)[N@H+]1CCC[C@@H](OCc2ccccc2)C1 ZINC001255175218 806568218 /nfs/dbraw/zinc/56/82/18/806568218.db2.gz NVEBOVRASOMRCL-DLBZAZTESA-N 1 1 272.392 3.360 20 30 CGEDMO CC[C@@H](CC#N)[N@@H+](Cc1ccccc1)[C@@H](C)CC(=O)OC ZINC001255176472 806569842 /nfs/dbraw/zinc/56/98/42/806569842.db2.gz AYDCJLOEOXYWOZ-HOCLYGCPSA-N 1 1 288.391 3.132 20 30 CGEDMO CC[C@@H](CC#N)[N@@H+]1CCC[C@H]1c1ccc(C(=O)OC)cc1 ZINC001255177955 806570838 /nfs/dbraw/zinc/57/08/38/806570838.db2.gz ZCXMJTDZUJRWCK-HOTGVXAUSA-N 1 1 286.375 3.302 20 30 CGEDMO CC[C@@H](CC#N)[N@H+]1CCC[C@H]1c1ccc(C(=O)OC)cc1 ZINC001255177955 806570843 /nfs/dbraw/zinc/57/08/43/806570843.db2.gz ZCXMJTDZUJRWCK-HOTGVXAUSA-N 1 1 286.375 3.302 20 30 CGEDMO CCCC[N@@H+](CCC#N)[C@H]1CCC[C@@H](C(=O)OCC)C1 ZINC001255367023 806626102 /nfs/dbraw/zinc/62/61/02/806626102.db2.gz KPEKVHOLODVFGL-CABCVRRESA-N 1 1 280.412 3.124 20 30 CGEDMO CC(=O)C=C(C)N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255381997 806630139 /nfs/dbraw/zinc/63/01/39/806630139.db2.gz AWWUJKCSRLXXQA-XXTMNZORSA-N 1 1 286.419 3.124 20 30 CGEDMO N#CC1(CN[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCC1 ZINC001255382587 806630888 /nfs/dbraw/zinc/63/08/88/806630888.db2.gz WFHCAFONRIHSFF-GOSISDBHSA-N 1 1 297.446 3.325 20 30 CGEDMO N#CCCCC[NH2+][C@@H]1CCCN(Cc2ccccc2)CC1 ZINC001255385093 806631187 /nfs/dbraw/zinc/63/11/87/806631187.db2.gz DSJRDVZUKPTORB-GOSISDBHSA-N 1 1 285.435 3.325 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](C2CCC(C(F)(F)F)CC2)C1 ZINC001255520987 806660700 /nfs/dbraw/zinc/66/07/00/806660700.db2.gz PKPHBQVLJUDQDT-VOMCLLRMSA-N 1 1 260.303 3.343 20 30 CGEDMO N#C[C@H]1CCC[N@H+](C2CCC(C(F)(F)F)CC2)C1 ZINC001255520987 806660704 /nfs/dbraw/zinc/66/07/04/806660704.db2.gz PKPHBQVLJUDQDT-VOMCLLRMSA-N 1 1 260.303 3.343 20 30 CGEDMO C=C(Br)C[NH2+][C@@H](C)c1cc(C)oc1C ZINC000044730406 798889868 /nfs/dbraw/zinc/88/98/68/798889868.db2.gz VWBPKGWXESICKG-VIFPVBQESA-N 1 1 258.159 3.456 20 30 CGEDMO C=C(Br)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000125130887 799000283 /nfs/dbraw/zinc/00/02/83/799000283.db2.gz RJWNUZVMCMQVBR-SECBINFHSA-N 1 1 285.141 3.154 20 30 CGEDMO N#Cc1ccc(OCCCn2c[nH+]c3c2CCCC3)cc1 ZINC000216690251 799134994 /nfs/dbraw/zinc/13/49/94/799134994.db2.gz IATBRFXPHWXQFH-UHFFFAOYSA-N 1 1 281.359 3.103 20 30 CGEDMO C#CC[N@H+](C)CCCNC(c1ccccc1)c1ccccc1 ZINC000328073533 799249895 /nfs/dbraw/zinc/24/98/95/799249895.db2.gz FDEBYUDMGQBJGO-UHFFFAOYSA-N 1 1 292.426 3.321 20 30 CGEDMO C#CC[N@@H+](C)CCCNC(c1ccccc1)c1ccccc1 ZINC000328073533 799249898 /nfs/dbraw/zinc/24/98/98/799249898.db2.gz FDEBYUDMGQBJGO-UHFFFAOYSA-N 1 1 292.426 3.321 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](Nc2nccc(Cl)c2C#N)[C@@H](C)C1 ZINC001163360093 806746104 /nfs/dbraw/zinc/74/61/04/806746104.db2.gz BOXAFRLYQQWVBH-SMDDNHRTSA-N 1 1 292.814 3.137 20 30 CGEDMO C=C(Cl)C[NH2+][C@H](COC)c1ccc(Cl)cc1 ZINC000390512754 799472062 /nfs/dbraw/zinc/47/20/62/799472062.db2.gz CCQDDXCMAQKSGY-GFCCVEGCSA-N 1 1 260.164 3.370 20 30 CGEDMO C=C(C)CNc1nc(N2CCCC(C)(C)C2)cc[nH+]1 ZINC001163375490 806753731 /nfs/dbraw/zinc/75/37/31/806753731.db2.gz ASFABNDESRIMQK-UHFFFAOYSA-N 1 1 260.385 3.091 20 30 CGEDMO CO[C@H]1CC[C@H](C)[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000687219433 799737926 /nfs/dbraw/zinc/73/79/26/799737926.db2.gz QELXJNKMHCCESK-KBPBESRZSA-N 1 1 252.402 3.206 20 30 CGEDMO C[C@H](Cc1ccc(F)cc1)[N@H+]1CCC[C@H](C#N)CC1 ZINC001255875649 806778265 /nfs/dbraw/zinc/77/82/65/806778265.db2.gz MSYNPBLVIZXHPN-HIFRSBDPSA-N 1 1 260.356 3.382 20 30 CGEDMO CC(C)[NH+](CCN[C@H](C)CC(C)(C)C#N)C(C)C ZINC000695790117 799834448 /nfs/dbraw/zinc/83/44/48/799834448.db2.gz HJETZKBJJDRQTE-CQSZACIVSA-N 1 1 253.434 3.023 20 30 CGEDMO C[N@@H+](CCCC1CCC1)C[C@H](O)c1cccc(C#N)c1 ZINC000701505383 799888953 /nfs/dbraw/zinc/88/89/53/799888953.db2.gz GRCZYJJMRCBNKZ-KRWDZBQOSA-N 1 1 272.392 3.104 20 30 CGEDMO Cc1ccc(C[NH2+][C@@H](C)c2nccs2)cc1C#N ZINC000701823293 799894821 /nfs/dbraw/zinc/89/48/21/799894821.db2.gz OJKLGOSTFXVEHE-NSHDSACASA-N 1 1 257.362 3.174 20 30 CGEDMO CS[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2F)C1 ZINC000708302695 799985058 /nfs/dbraw/zinc/98/50/58/799985058.db2.gz OSJYMCOADMPQPH-KGLIPLIRSA-N 1 1 278.396 3.413 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000710360033 800033776 /nfs/dbraw/zinc/03/37/76/800033776.db2.gz LUXNJGJHTRFTHF-CQSZACIVSA-N 1 1 269.373 3.004 20 30 CGEDMO C=CCc1cc(C)c[nH+]c1NCCc1cccc(O)c1 ZINC001163698334 806801661 /nfs/dbraw/zinc/80/16/61/806801661.db2.gz JBOAGRQISZVRTI-UHFFFAOYSA-N 1 1 268.360 3.479 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000712407868 800088215 /nfs/dbraw/zinc/08/82/15/800088215.db2.gz OWNHDUOAYWSZIM-BETUJISGSA-N 1 1 252.427 3.001 20 30 CGEDMO CC[C@H]([NH2+]C[C@@H]1CCCN(CC)C1)c1ccc(C#N)cc1 ZINC001256026380 806806759 /nfs/dbraw/zinc/80/67/59/806806759.db2.gz SKGKJAVWLNNRFA-WMZOPIPTSA-N 1 1 285.435 3.331 20 30 CGEDMO C=CCC1(O)CC[NH+](Cc2ccc(Cl)c(F)c2)CC1 ZINC000717452218 800202261 /nfs/dbraw/zinc/20/22/61/800202261.db2.gz UDPNETIZFQWTPG-UHFFFAOYSA-N 1 1 283.774 3.382 20 30 CGEDMO C[C@H]1[C@@H](Nc2ccc(C#N)c(C(F)(F)F)c2)CC[N@H+]1C ZINC000719602560 800245539 /nfs/dbraw/zinc/24/55/39/800245539.db2.gz OSVYWDQRVLQGCB-ZANVPECISA-N 1 1 283.297 3.082 20 30 CGEDMO CC(C)[N@H+](CCC#N)Cc1ccc2c(c1)C[C@@H](C)O2 ZINC000720828263 800268365 /nfs/dbraw/zinc/26/83/65/800268365.db2.gz MLUUSXHKCPWYJH-CYBMUJFWSA-N 1 1 258.365 3.134 20 30 CGEDMO CC(C)[N@@H+](CCC#N)Cc1ccc2c(c1)C[C@@H](C)O2 ZINC000720828263 800268368 /nfs/dbraw/zinc/26/83/68/800268368.db2.gz MLUUSXHKCPWYJH-CYBMUJFWSA-N 1 1 258.365 3.134 20 30 CGEDMO N#Cc1cc(C[N@H+](Cc2ccoc2)C2CC2)ccc1F ZINC000723719971 800337390 /nfs/dbraw/zinc/33/73/90/800337390.db2.gz VKCRYBOBLWRMSV-UHFFFAOYSA-N 1 1 270.307 3.455 20 30 CGEDMO N#Cc1cc(C[N@@H+](Cc2ccoc2)C2CC2)ccc1F ZINC000723719971 800337397 /nfs/dbraw/zinc/33/73/97/800337397.db2.gz VKCRYBOBLWRMSV-UHFFFAOYSA-N 1 1 270.307 3.455 20 30 CGEDMO Cc1[nH+]c(N2CC[C@H](F)C(F)(F)CC2)ccc1CC#N ZINC001163784871 806827643 /nfs/dbraw/zinc/82/76/43/806827643.db2.gz PYVIHWUVELVHNA-LBPRGKRZSA-N 1 1 283.297 3.030 20 30 CGEDMO C[C@H](CNc1nc(Cl)c(C#N)s1)[N@H+]1CCCC[C@@H]1C ZINC000804349128 800397098 /nfs/dbraw/zinc/39/70/98/800397098.db2.gz JAKMGOWLIXDUHA-VHSXEESVSA-N 1 1 298.843 3.343 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000809542409 800443325 /nfs/dbraw/zinc/44/33/25/800443325.db2.gz ZPTAAZXZYWDZSG-CQSZACIVSA-N 1 1 267.294 3.442 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)Cc2ccc(C(=O)OC)cc2)cc1 ZINC000809549343 800445358 /nfs/dbraw/zinc/44/53/58/800445358.db2.gz VRQZDFKIZNRTMC-UHFFFAOYSA-N 1 1 293.366 3.087 20 30 CGEDMO COc1cccc(C[C@H](C)[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC001256164425 806839555 /nfs/dbraw/zinc/83/95/55/806839555.db2.gz LYANYHGSXQQZCR-LSDHHAIUSA-N 1 1 272.392 3.252 20 30 CGEDMO C=CC[C@H]1CCN1C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000890557850 800559134 /nfs/dbraw/zinc/55/91/34/800559134.db2.gz HZDRJKYPVLNMDR-GJZGRUSLSA-N 1 1 292.810 3.120 20 30 CGEDMO CC#CCC[N@@H+]1CCC[C@@H]1c1cncc(Br)c1 ZINC000932248788 800655608 /nfs/dbraw/zinc/65/56/08/800655608.db2.gz KPRGEYFJHVTKER-CQSZACIVSA-N 1 1 293.208 3.394 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@@H]1c1cncc(Br)c1 ZINC000932248788 800655611 /nfs/dbraw/zinc/65/56/11/800655611.db2.gz KPRGEYFJHVTKER-CQSZACIVSA-N 1 1 293.208 3.394 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C2CCCCC2)C1 ZINC001006610026 800699309 /nfs/dbraw/zinc/69/93/09/800699309.db2.gz SHKYYPSSFKXWIT-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[C@H]3C[N@@H+](CC)CC[C@H]32)CC1 ZINC001021664355 800702179 /nfs/dbraw/zinc/70/21/79/800702179.db2.gz HJDQGZCBAINZQV-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[C@@H]3C[N@@H+](CC)CC[C@@H]32)CC1 ZINC001021664360 800702814 /nfs/dbraw/zinc/70/28/14/800702814.db2.gz HJDQGZCBAINZQV-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC2(C)C)C1 ZINC001023535103 800711606 /nfs/dbraw/zinc/71/16/06/800711606.db2.gz GIDJXEBPVNNHAO-ZIAGYGMSSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC2(C)C)C1 ZINC001023535103 800711611 /nfs/dbraw/zinc/71/16/11/800711611.db2.gz GIDJXEBPVNNHAO-ZIAGYGMSSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1oc(C)cc1C ZINC001024370924 800725733 /nfs/dbraw/zinc/72/57/33/800725733.db2.gz FTJMXXZGOXDEIV-OAHLLOKOSA-N 1 1 290.407 3.057 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)c1occc1C ZINC001024331109 800726294 /nfs/dbraw/zinc/72/62/94/800726294.db2.gz DCCCPENNKUHNPH-HNNXBMFYSA-N 1 1 290.407 3.139 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001024551794 800729589 /nfs/dbraw/zinc/72/95/89/800729589.db2.gz XXHHQZHPOYSJLM-ARFHVFGLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC1(C)C ZINC001024612558 800732284 /nfs/dbraw/zinc/73/22/84/800732284.db2.gz QHJMRUZGVVNVMS-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001024771916 800735310 /nfs/dbraw/zinc/73/53/10/800735310.db2.gz MPZPGLALRCQETN-BRWVUGGUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)C ZINC001025205026 800750646 /nfs/dbraw/zinc/75/06/46/800750646.db2.gz RYXBGWYFELWCMB-HUUCEWRRSA-N 1 1 298.858 3.240 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1(C)CC1 ZINC001025236385 800752051 /nfs/dbraw/zinc/75/20/51/800752051.db2.gz UDSBJRWDHPYLSL-HOTGVXAUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2)C1 ZINC001025313488 800754985 /nfs/dbraw/zinc/75/49/85/800754985.db2.gz SIDDKUMSYKCROI-DOTOQJQBSA-N 1 1 286.419 3.093 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccsc2)C1 ZINC001025335262 800757534 /nfs/dbraw/zinc/75/75/34/800757534.db2.gz ALBOFHWPVZEYQV-UONOGXRCSA-N 1 1 292.448 3.155 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2CC(C)(C)C2)C1 ZINC001025412522 800761255 /nfs/dbraw/zinc/76/12/55/800761255.db2.gz VUKRGAOJENTZLW-GJZGRUSLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C2CCCCC2)C1 ZINC001027277640 800788806 /nfs/dbraw/zinc/78/88/06/800788806.db2.gz IQIIRGWIWVBBEY-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)CC(C)(C)C)C1 ZINC001027303198 800790081 /nfs/dbraw/zinc/79/00/81/800790081.db2.gz RLVPRDKISIYVJD-ZDUSSCGKSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)CC(C)(C)C)C1 ZINC001027303198 800790082 /nfs/dbraw/zinc/79/00/82/800790082.db2.gz RLVPRDKISIYVJD-ZDUSSCGKSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)CCC2CCC2)C1 ZINC001027355308 800791766 /nfs/dbraw/zinc/79/17/66/800791766.db2.gz SSXPMKNJHYPAOX-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC23CC3)C1 ZINC001027460684 800797133 /nfs/dbraw/zinc/79/71/33/800797133.db2.gz MVGVQXZQHKQHCX-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)C2CCC3(CC3)CC2)C1 ZINC001027494417 800797905 /nfs/dbraw/zinc/79/79/05/800797905.db2.gz DVVNZGVFRVLIFJ-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)CC2CCC2)C1 ZINC001027519151 800799322 /nfs/dbraw/zinc/79/93/22/800799322.db2.gz FPRKFAMVIFADFJ-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC23CCCC3)C1 ZINC001027639360 800807810 /nfs/dbraw/zinc/80/78/10/800807810.db2.gz VFDZVBKGJVEFCQ-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(Cl)o1 ZINC001027759777 800819593 /nfs/dbraw/zinc/81/95/93/800819593.db2.gz MRGUSLXHNQMGSW-LBPRGKRZSA-N 1 1 296.798 3.093 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C)c(C)o1 ZINC001027823909 800822443 /nfs/dbraw/zinc/82/24/43/800822443.db2.gz DDAPNNXRWWNAQW-OAHLLOKOSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1C(C)C ZINC001027917410 800825266 /nfs/dbraw/zinc/82/52/66/800825266.db2.gz ALTMKIZMRAWNTN-HNNXBMFYSA-N 1 1 286.419 3.190 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cscc1Cl ZINC001027952874 800825652 /nfs/dbraw/zinc/82/56/52/800825652.db2.gz FUSNZFQEBBQQKH-NSHDSACASA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cscc1Cl ZINC001027950597 800826495 /nfs/dbraw/zinc/82/64/95/800826495.db2.gz DJWNXQIQXXQKPM-LLVKDONJSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C)c(Cl)c1 ZINC001028114162 800832360 /nfs/dbraw/zinc/83/23/60/800832360.db2.gz CGTHQFFFEPUJQO-AWEZNQCLSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)C=CCC2 ZINC001028195978 800836233 /nfs/dbraw/zinc/83/62/33/800836233.db2.gz ZNYFEUYUDXXYRT-SFHVURJKSA-N 1 1 296.414 3.026 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(C2CC2)c1 ZINC001028339368 800841562 /nfs/dbraw/zinc/84/15/62/800841562.db2.gz TWNWWCLDUQVDDP-GOSISDBHSA-N 1 1 298.430 3.334 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C2CC2)cc1 ZINC001028329946 800842622 /nfs/dbraw/zinc/84/26/22/800842622.db2.gz WFXHJMCHINIWSI-SFHVURJKSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC=CCCC2)C1 ZINC001028625519 800851112 /nfs/dbraw/zinc/85/11/12/800851112.db2.gz SSGATMHNPCFILY-IRXDYDNUSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)c2occc2C(C)C)C1 ZINC001028758894 800851608 /nfs/dbraw/zinc/85/16/08/800851608.db2.gz ZAYXZRLHFAAIHK-AWEZNQCLSA-N 1 1 290.407 3.031 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)cc1C ZINC001032763269 800936729 /nfs/dbraw/zinc/93/67/29/800936729.db2.gz QZKMDHYBZUHKBF-IRXDYDNUSA-N 1 1 298.430 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC=CCCC2)C1 ZINC001033181217 800953901 /nfs/dbraw/zinc/95/39/01/800953901.db2.gz GVRLFNFVIYKGFL-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)C2CCCCCCC2)C1 ZINC001033252082 800955545 /nfs/dbraw/zinc/95/55/45/800955545.db2.gz CFHGHTZDYKNOSZ-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)C2(C3CCC3)CCC2)C1 ZINC001033313003 800959335 /nfs/dbraw/zinc/95/93/35/800959335.db2.gz RYZZXCDSEKSORV-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](CCC(=C)C)C2)cc1 ZINC001033443441 800964528 /nfs/dbraw/zinc/96/45/28/800964528.db2.gz OAUNSNNSDOVTNI-GOSISDBHSA-N 1 1 298.430 3.442 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)CC2CCCCCC2)C1 ZINC001033459137 800965442 /nfs/dbraw/zinc/96/54/42/800965442.db2.gz ZLNREFPOVTTWLN-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001033598651 800969579 /nfs/dbraw/zinc/96/95/79/800969579.db2.gz BGSRABRCFLCROR-ULQDDVLXSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccoc2Cl)C1 ZINC001033802977 800983197 /nfs/dbraw/zinc/98/31/97/800983197.db2.gz AMUHULATIAKNLU-GFCCVEGCSA-N 1 1 296.798 3.046 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC23CCCC3)C1 ZINC001034016294 800992917 /nfs/dbraw/zinc/99/29/17/800992917.db2.gz HHQGCXIVIZTVJU-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=Cc1ccc(C(=O)N(CC)[C@@H]2CC[N@@H+](CC(=C)C)C2)cc1 ZINC001033962287 800993734 /nfs/dbraw/zinc/99/37/34/800993734.db2.gz UQUWBTSTVXGYCK-GOSISDBHSA-N 1 1 298.430 3.442 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(Cl)cc2)C1 ZINC001034029673 800994423 /nfs/dbraw/zinc/99/44/23/800994423.db2.gz MRKYZRHFSNOJIK-OAHLLOKOSA-N 1 1 292.810 3.062 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2coc3ccccc32)C1 ZINC001034056771 800996228 /nfs/dbraw/zinc/99/62/28/800996228.db2.gz OTMILKAKRAZORG-AWEZNQCLSA-N 1 1 298.386 3.155 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc(C3CC3)c2)C1 ZINC001034051303 800997524 /nfs/dbraw/zinc/99/75/24/800997524.db2.gz UGSGVGCXXBOGNP-GOSISDBHSA-N 1 1 298.430 3.286 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001034158334 801007731 /nfs/dbraw/zinc/00/77/31/801007731.db2.gz ZWFTUGXZGNQUJR-AWEZNQCLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001034153752 801007829 /nfs/dbraw/zinc/00/78/29/801007829.db2.gz DTNKBDLWWVRIFC-CQSZACIVSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@@H](NC(=O)C2=CCCCCC2)C1 ZINC001034176829 801009722 /nfs/dbraw/zinc/00/97/22/801009722.db2.gz YRBIAGJIHBNIEX-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001034205310 801010411 /nfs/dbraw/zinc/01/04/11/801010411.db2.gz VGHYPGOJDGHCCA-HZPDHXFCSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)C2CC(C)(C)C2)C1 ZINC001034201228 801011147 /nfs/dbraw/zinc/01/11/47/801011147.db2.gz JEIFNUHGJBGNHT-AWEZNQCLSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)C2CC(C)(C)C2)C1 ZINC001034201228 801011155 /nfs/dbraw/zinc/01/11/55/801011155.db2.gz JEIFNUHGJBGNHT-AWEZNQCLSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(CC)o2)C1 ZINC001034271961 801015327 /nfs/dbraw/zinc/01/53/27/801015327.db2.gz DDZWXNCMBHQIPB-CQSZACIVSA-N 1 1 290.407 3.002 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001034477786 801029068 /nfs/dbraw/zinc/02/90/68/801029068.db2.gz PSOCAVICMLVRBJ-CVEARBPZSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)CC(C)(C)C)CC[C@H]21 ZINC001036641365 801085619 /nfs/dbraw/zinc/08/56/19/801085619.db2.gz ZQDZCTVGCPPABE-UONOGXRCSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCCC)C1 ZINC001036793788 801090836 /nfs/dbraw/zinc/09/08/36/801090836.db2.gz LEMQCCYJFATYBP-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001038287290 801122357 /nfs/dbraw/zinc/12/23/57/801122357.db2.gz KOZMESYZENUMOP-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)ccc1C ZINC001038965058 801138467 /nfs/dbraw/zinc/13/84/67/801138467.db2.gz VVSACQCUJFCERE-MRXNPFEDSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)ccc1C ZINC001038965053 801138866 /nfs/dbraw/zinc/13/88/66/801138866.db2.gz VVSACQCUJFCERE-INIZCTEOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@H+]1CC[C@H]1CNC(=O)C1CCC(C(C)(C)C)CC1 ZINC001038990232 801140601 /nfs/dbraw/zinc/14/06/01/801140601.db2.gz PGHHWDBJZUPPFF-GPANFISMSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CNC(=O)C1CCC(C(C)(C)C)CC1 ZINC001038990232 801140605 /nfs/dbraw/zinc/14/06/05/801140605.db2.gz PGHHWDBJZUPPFF-GPANFISMSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1sccc1C(C)C ZINC001039042474 801142233 /nfs/dbraw/zinc/14/22/33/801142233.db2.gz RJIVUFJVZSJJOM-CYBMUJFWSA-N 1 1 292.448 3.252 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1sccc1C(C)C ZINC001039042474 801142238 /nfs/dbraw/zinc/14/22/38/801142238.db2.gz RJIVUFJVZSJJOM-CYBMUJFWSA-N 1 1 292.448 3.252 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1sccc1C(C)C ZINC001039042909 801142714 /nfs/dbraw/zinc/14/27/14/801142714.db2.gz ZWHQTQOBLQULSF-CYBMUJFWSA-N 1 1 292.448 3.252 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1ccc(C(C)C)s1 ZINC001039056995 801144801 /nfs/dbraw/zinc/14/48/01/801144801.db2.gz NPQHILJYVHOQAR-ZDUSSCGKSA-N 1 1 292.448 3.252 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C(C)C)s1 ZINC001039056995 801144804 /nfs/dbraw/zinc/14/48/04/801144804.db2.gz NPQHILJYVHOQAR-ZDUSSCGKSA-N 1 1 292.448 3.252 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C(C)(C)F)C1 ZINC001039178602 801151009 /nfs/dbraw/zinc/15/10/09/801151009.db2.gz SWFZKAGHIOGTBK-GJZGRUSLSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC2(C)CC2)C1 ZINC001039230365 801154717 /nfs/dbraw/zinc/15/47/17/801154717.db2.gz QJJMFDPOBPKJHY-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCC ZINC001039820353 801167157 /nfs/dbraw/zinc/16/71/57/801167157.db2.gz FEDDEHCURUECLW-GASCZTMLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)C3CCCCC3)C2)C1 ZINC001040047157 801171294 /nfs/dbraw/zinc/17/12/94/801171294.db2.gz UAEQVJVJWMYEMK-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)C=C)C2)C1 ZINC001040332917 801175261 /nfs/dbraw/zinc/17/52/61/801175261.db2.gz QDCJQMYQHMCYQO-SFHVURJKSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[C@]2(C1)CCC[N@H+](C(C)C)C2 ZINC001040368572 801176516 /nfs/dbraw/zinc/17/65/16/801176516.db2.gz IXSRQINYLNHUOV-QZTJIDSGSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)C3(CC)CCCC3)C2)C1 ZINC001041766099 801192807 /nfs/dbraw/zinc/19/28/07/801192807.db2.gz YMIGVTCVZXEPHE-QGZVFWFLSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(C)cc3C)C2)C1 ZINC001041813737 801194268 /nfs/dbraw/zinc/19/42/68/801194268.db2.gz FZIWCJLMAQLBOC-IBGZPJMESA-N 1 1 298.430 3.027 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)C(CC)(CC)CC)C[C@H]21 ZINC001042290532 801204010 /nfs/dbraw/zinc/20/40/10/801204010.db2.gz PVTGHBYFQYDMGL-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(CC)CC)C[C@@H]21 ZINC001042365518 801205124 /nfs/dbraw/zinc/20/51/24/801205124.db2.gz OQRAJRNPAPGPLL-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO CCOC1CCC([N@H+]2CCc3cc(C#N)ccc3C2)CC1 ZINC001256436656 806898520 /nfs/dbraw/zinc/89/85/20/806898520.db2.gz MEZZYOVQDLBMFB-UHFFFAOYSA-N 1 1 284.403 3.264 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C=C(C)C)C2 ZINC001045911349 801292300 /nfs/dbraw/zinc/29/23/00/801292300.db2.gz GWDPYKZRSWLNLG-SFHVURJKSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)c2ccccc2C)C1 ZINC001046114016 801301719 /nfs/dbraw/zinc/30/17/19/801301719.db2.gz SEZRWADUICLXAG-SFHVURJKSA-N 1 1 286.419 3.155 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)C2CCC3(CC3)CC2)C1 ZINC001046492424 801311442 /nfs/dbraw/zinc/31/14/42/801311442.db2.gz KSDMUGDJAVABAS-KRWDZBQOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C1CCC(C(=O)N[C@@]2(C)CC[N@H+](CC[C@H](C)F)C2)CC1 ZINC001046593833 801315587 /nfs/dbraw/zinc/31/55/87/801315587.db2.gz AWLZCJUOGQQXQU-YOEHRIQHSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C)cc2Cl)C1 ZINC001046645057 801319505 /nfs/dbraw/zinc/31/95/05/801319505.db2.gz UFQAZBKINFRAPU-INIZCTEOSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(C=C)cc2)C1 ZINC001046645301 801319871 /nfs/dbraw/zinc/31/98/71/801319871.db2.gz ZPCPTFSPOADWQO-GOSISDBHSA-N 1 1 284.403 3.100 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(C)c2C)C1 ZINC001046812667 801326428 /nfs/dbraw/zinc/32/64/28/801326428.db2.gz OUQMZNFHZIOINP-GOSISDBHSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(C)c(C)c2)C1 ZINC001046818454 801328790 /nfs/dbraw/zinc/32/87/90/801328790.db2.gz SIQCHYMWOMBDMY-SFHVURJKSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC1=CCCCC1 ZINC001049383680 801369050 /nfs/dbraw/zinc/36/90/50/801369050.db2.gz STEWDSKHCRSIBE-IRXDYDNUSA-N 1 1 288.435 3.128 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)C(C)(C)C ZINC001049637513 801380165 /nfs/dbraw/zinc/38/01/65/801380165.db2.gz HIGOTKIDWMSHLP-GJZGRUSLSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC(=C)Cl ZINC001049638160 801381088 /nfs/dbraw/zinc/38/10/88/801381088.db2.gz ZNGTXHICFNXUJO-UONOGXRCSA-N 1 1 296.842 3.016 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC(=C)Cl ZINC001049638160 801381094 /nfs/dbraw/zinc/38/10/94/801381094.db2.gz ZNGTXHICFNXUJO-UONOGXRCSA-N 1 1 296.842 3.016 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCCC1(C)C ZINC001049659922 801382551 /nfs/dbraw/zinc/38/25/51/801382551.db2.gz VBHWICKJLRZBKM-HRCADAONSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCCC1(C)C ZINC001049659921 801383173 /nfs/dbraw/zinc/38/31/73/801383173.db2.gz VBHWICKJLRZBKM-BZUAXINKSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1CC ZINC001049671430 801384225 /nfs/dbraw/zinc/38/42/25/801384225.db2.gz LHOLNKGHYRNOOY-ROUUACIJSA-N 1 1 298.430 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H](C)C1CC1 ZINC001049923650 801393005 /nfs/dbraw/zinc/39/30/05/801393005.db2.gz WSPUJXMNBNQFJH-USXIJHARSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)c3ccccc3C)[C@@H]2C1 ZINC001049961071 801394864 /nfs/dbraw/zinc/39/48/64/801394864.db2.gz NKKIEPRYIPJRPD-FUHWJXTLSA-N 1 1 298.430 3.108 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[C@H]3C[N@H+](C(C)C)C[C@H]32)CC1 ZINC001050132667 801397498 /nfs/dbraw/zinc/39/74/98/801397498.db2.gz WGGZYMLDFDAGPQ-DLBZAZTESA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C2CC(C)(C)C2)CC1 ZINC001052355237 801431171 /nfs/dbraw/zinc/43/11/71/801431171.db2.gz UMXYGUCYEQKSCJ-AWEZNQCLSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)cs2)CC1 ZINC001052364164 801432061 /nfs/dbraw/zinc/43/20/61/801432061.db2.gz CKCSAGCCVSFJDY-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CC23CCCC3)CC1 ZINC001052840129 801453609 /nfs/dbraw/zinc/45/36/09/801453609.db2.gz XMNOBWGYVWLOGU-JKSUJKDBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(Cl)c2)CC1 ZINC001052885926 801455702 /nfs/dbraw/zinc/45/57/02/801455702.db2.gz BIDGUSIFKNDUNW-OAHLLOKOSA-N 1 1 292.810 3.110 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccoc2C(C)C)CC1 ZINC001052966669 801460367 /nfs/dbraw/zinc/46/03/67/801460367.db2.gz WICSCMLMDWEPIL-CQSZACIVSA-N 1 1 290.407 3.173 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCC)C1 ZINC001053063764 801465727 /nfs/dbraw/zinc/46/57/27/801465727.db2.gz QPWAUAPEDOJTLT-SJORKVTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C=C(C)C)C1 ZINC001053061286 801466208 /nfs/dbraw/zinc/46/62/08/801466208.db2.gz PGPUZIVBDHZKAP-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3C(C)C)cc2C1 ZINC001054288494 801483832 /nfs/dbraw/zinc/48/38/32/801483832.db2.gz YTLZAFXIRBEJPF-ZWKOTPCHSA-N 1 1 298.430 3.097 20 30 CGEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3C(C)C)cc2C1 ZINC001054288494 801483838 /nfs/dbraw/zinc/48/38/38/801483838.db2.gz YTLZAFXIRBEJPF-ZWKOTPCHSA-N 1 1 298.430 3.097 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2ccc(C)s2)CC[C@@H]1C ZINC001071300158 801524807 /nfs/dbraw/zinc/52/48/07/801524807.db2.gz QLUPEZZTBOSYDF-GXTWGEPZSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2ccoc2C)CC[C@H]1C ZINC001071343000 801530929 /nfs/dbraw/zinc/53/09/29/801530929.db2.gz QSUWKTYARPXCFC-UKRRQHHQSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C=C2CCCCC2)CC[C@H]1C ZINC001071373648 801532247 /nfs/dbraw/zinc/53/22/47/801532247.db2.gz MLXYXLDEFILOQX-ZBFHGGJFSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C2CCC(=C)CC2)CC[C@@H]1C ZINC001071795587 801551881 /nfs/dbraw/zinc/55/18/81/801551881.db2.gz LTJKVPVYWXFEAT-DOTOQJQBSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CCC(C)C)C2)C1 ZINC001071803449 801554150 /nfs/dbraw/zinc/55/41/50/801554150.db2.gz MFRKTTNELJMAHQ-HZPDHXFCSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C=C)cc2)CC[C@H]1C ZINC001071828669 801554889 /nfs/dbraw/zinc/55/48/89/801554889.db2.gz SEXUXEITWXXGGS-QAPCUYQASA-N 1 1 298.430 3.488 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2csc(C)c2)CC[C@H]1C ZINC001071898171 801556572 /nfs/dbraw/zinc/55/65/72/801556572.db2.gz WWWJGXNDWXMHQK-DOMZBBRYSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2csc(C)c2)CC[C@@H]1C ZINC001071898173 801557357 /nfs/dbraw/zinc/55/73/57/801557357.db2.gz WWWJGXNDWXMHQK-SWLSCSKDSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2ccc(Cl)cc2)CC[C@H]1C ZINC001072008124 801557893 /nfs/dbraw/zinc/55/78/93/801557893.db2.gz AJRNUPURAMZSPX-IUODEOHRSA-N 1 1 292.810 3.109 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC2(C1)CC[N@@H+](CCC(C)C)C2 ZINC001072951404 801575849 /nfs/dbraw/zinc/57/58/49/801575849.db2.gz BYBXBBASGZPLSC-QGZVFWFLSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)C(C)(CC)CC)C2)C1 ZINC001073441584 801580138 /nfs/dbraw/zinc/58/01/38/801580138.db2.gz OXGNWHCYZFEMAQ-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C)cc3)[C@@H]2C1 ZINC001076495769 801618644 /nfs/dbraw/zinc/61/86/44/801618644.db2.gz QZZCYOJSOYEHBX-ZWKOTPCHSA-N 1 1 298.430 3.108 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC001256610848 806925339 /nfs/dbraw/zinc/92/53/39/806925339.db2.gz IYZRBGHCDCDERJ-SFHVURJKSA-N 1 1 297.446 3.277 20 30 CGEDMO N#CC[C@@H]1CCCN(C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256610848 806925344 /nfs/dbraw/zinc/92/53/44/806925344.db2.gz IYZRBGHCDCDERJ-SFHVURJKSA-N 1 1 297.446 3.277 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCCC(C)(C)C2)C1 ZINC001080780886 801653984 /nfs/dbraw/zinc/65/39/84/801653984.db2.gz GGTQSINKARLIIO-OWCLPIDISA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CCC3CCCC3)[C@@H]2C1 ZINC001084164512 801665242 /nfs/dbraw/zinc/66/52/42/801665242.db2.gz JVDMUNDUNYVBLI-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccoc1Cl ZINC001085568941 801693372 /nfs/dbraw/zinc/69/33/72/801693372.db2.gz WAEOSEBPLFJGTP-LBPRGKRZSA-N 1 1 296.798 3.046 20 30 CGEDMO C=C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001256620843 806928639 /nfs/dbraw/zinc/92/86/39/806928639.db2.gz FGRRAXZWWNQLOV-NPYXIHBLSA-N 1 1 256.393 3.129 20 30 CGEDMO C=C1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2C[C@H](F)CC)CC1 ZINC001085800702 801705352 /nfs/dbraw/zinc/70/53/52/801705352.db2.gz AFZPKTZMAPISOS-HZPDHXFCSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2C[C@H](F)CC)CC1 ZINC001085800702 801705357 /nfs/dbraw/zinc/70/53/57/801705357.db2.gz AFZPKTZMAPISOS-HZPDHXFCSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC[C@@H](C)F)CC1 ZINC001085800763 801705869 /nfs/dbraw/zinc/70/58/69/801705869.db2.gz BGSDMACCOIQAJD-ZBFHGGJFSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@]12C[C@@H]1CCCC2 ZINC001085807321 801707002 /nfs/dbraw/zinc/70/70/02/801707002.db2.gz DSINDPBMTXJIKF-JZXOWHBKSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1csc(Cl)c1 ZINC001085854224 801708972 /nfs/dbraw/zinc/70/89/72/801708972.db2.gz SZDIRSXFGHUDHL-GFCCVEGCSA-N 1 1 298.839 3.124 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1csc(Cl)c1 ZINC001085854224 801708975 /nfs/dbraw/zinc/70/89/75/801708975.db2.gz SZDIRSXFGHUDHL-GFCCVEGCSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)c3ccccc3)C(C)(C)[C@H]21 ZINC001087266908 801746907 /nfs/dbraw/zinc/74/69/07/801746907.db2.gz RWSQPWWRTTVBDC-IKGGRYGDSA-N 1 1 298.430 3.091 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2CC(C)(C)C2)[C@H]1CC ZINC001087561852 801756125 /nfs/dbraw/zinc/75/61/25/801756125.db2.gz RLNMNUGYHJLBMJ-JKSUJKDBSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)CC=CCC2)[C@H]1CC ZINC001087584415 801756737 /nfs/dbraw/zinc/75/67/37/801756737.db2.gz FNNXMSYYTHNLGI-JZXOWHBKSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC=CCC2)[C@H]1CC ZINC001087688583 801761089 /nfs/dbraw/zinc/76/10/89/801761089.db2.gz MWAFUAGOCOXYRB-YESZJQIVSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC2(C)C)[C@H]1CC ZINC001087691285 801761718 /nfs/dbraw/zinc/76/17/18/801761718.db2.gz JCTMIQABRDDQMK-OWCLPIDISA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cc(C)cc(C)c2)[C@H]1CC ZINC001087809219 801769239 /nfs/dbraw/zinc/76/92/39/801769239.db2.gz GEEZSRCFRKMOQS-DLBZAZTESA-N 1 1 286.419 3.072 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C)c2)[C@H]1C ZINC001088454760 801794735 /nfs/dbraw/zinc/79/47/35/801794735.db2.gz GVXJSLJNFWKLTK-WBVHZDCISA-N 1 1 286.419 3.154 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C=C2CCCCC2)[C@H]1C ZINC001088486141 801796394 /nfs/dbraw/zinc/79/63/94/801796394.db2.gz UKVCCLZMTPERFW-WBVHZDCISA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CC=CCC2)[C@H]1C ZINC001088797938 801807337 /nfs/dbraw/zinc/80/73/37/801807337.db2.gz SMOWHQZRUBDQMF-ILXRZTDVSA-N 1 1 296.842 3.064 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC=CCC2)[C@H]1C ZINC001088797938 801807347 /nfs/dbraw/zinc/80/73/47/801807347.db2.gz SMOWHQZRUBDQMF-ILXRZTDVSA-N 1 1 296.842 3.064 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)F)CC(C)(C)C1 ZINC001089292026 801828360 /nfs/dbraw/zinc/82/83/60/801828360.db2.gz FPBXLQJGXCNDLK-CQSZACIVSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2C=CCC2)CC(C)(C)C1 ZINC001089315125 801832497 /nfs/dbraw/zinc/83/24/97/801832497.db2.gz HYOGDVCVAZTPAC-JKSUJKDBSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)C2CCC2)CC(C)(C)C1 ZINC001089416802 801838069 /nfs/dbraw/zinc/83/80/69/801838069.db2.gz PTZIUWIIPYIBAO-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2CC)CC(C)(C)C1 ZINC001089498012 801842184 /nfs/dbraw/zinc/84/21/84/801842184.db2.gz LNFDXFAPSPCBCF-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CCC1(C)C ZINC001089683642 801848580 /nfs/dbraw/zinc/84/85/80/801848580.db2.gz BZETZIQVAFVENI-LSDHHAIUSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+]1C[C@@H](CNC(=O)c2cccc(C3CC3)c2)[C@H](C)C1 ZINC001093235707 801866281 /nfs/dbraw/zinc/86/62/81/801866281.db2.gz KFCRPIZMCVOSOX-RDTXWAMCSA-N 1 1 298.430 3.048 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1C=CCCC1)C2 ZINC001097318263 801898987 /nfs/dbraw/zinc/89/89/87/801898987.db2.gz NNCURWJZCWZSRP-VQHPVUNQSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCC(C)(C)CC1)C2 ZINC001098474905 801909704 /nfs/dbraw/zinc/90/97/04/801909704.db2.gz PYEQNDILHYCQJO-OAGGEKHMSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)ccc1C)C2 ZINC001098279918 801910664 /nfs/dbraw/zinc/91/06/64/801910664.db2.gz ZUCJVTOBMOKSQE-NXHRZFHOSA-N 1 1 298.430 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC1CC1 ZINC001098848768 801916487 /nfs/dbraw/zinc/91/64/87/801916487.db2.gz DLTMGJWDNBQXMK-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC(C)(C)C ZINC001098899154 801919805 /nfs/dbraw/zinc/91/98/05/801919805.db2.gz CRNVMHQOVQFSCN-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCC1CC1 ZINC001098966702 801922171 /nfs/dbraw/zinc/92/21/71/801922171.db2.gz SYEBYOMLCPCJPH-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1(C)CC1 ZINC001099085699 801927632 /nfs/dbraw/zinc/92/76/32/801927632.db2.gz QZBLXFPZTYVRLZ-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC ZINC001099171812 801931080 /nfs/dbraw/zinc/93/10/80/801931080.db2.gz UJZXWXUMUYELCK-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCF ZINC001099187961 801931741 /nfs/dbraw/zinc/93/17/41/801931741.db2.gz ACNWPWARQNXJLF-HUUCEWRRSA-N 1 1 298.446 3.165 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCF ZINC001099187961 801931748 /nfs/dbraw/zinc/93/17/48/801931748.db2.gz ACNWPWARQNXJLF-HUUCEWRRSA-N 1 1 298.446 3.165 20 30 CGEDMO C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](F)CC ZINC001099183828 801933007 /nfs/dbraw/zinc/93/30/07/801933007.db2.gz YLTMZDSXVNCJEG-LSDHHAIUSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)C(C)C ZINC001099251163 801933992 /nfs/dbraw/zinc/93/39/92/801933992.db2.gz GZZPQAOZLXKZGI-HUUCEWRRSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)C ZINC001099316581 801935825 /nfs/dbraw/zinc/93/58/25/801935825.db2.gz WEZHLHHCSOJPTN-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@@H](C)CC ZINC001099280833 801935834 /nfs/dbraw/zinc/93/58/34/801935834.db2.gz MGDDLHONKMXAGF-JKSUJKDBSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)CCCCC)C[C@]2(C)C1 ZINC001101127932 801971057 /nfs/dbraw/zinc/97/10/57/801971057.db2.gz QTPQFWXKJCXGKV-ZBFHGGJFSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)CCCCC)C[C@]2(C)C1 ZINC001101127932 801971064 /nfs/dbraw/zinc/97/10/64/801971064.db2.gz QTPQFWXKJCXGKV-ZBFHGGJFSA-N 1 1 298.858 3.100 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H]2CN(C(=O)C3CC3)C[C@]2(C)C1 ZINC001101101776 801971818 /nfs/dbraw/zinc/97/18/18/801971818.db2.gz MNROJEHYMFIAQV-AEFFLSMTSA-N 1 1 292.467 3.147 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](CNC(=O)/C=C/C(C)(C)C)[C@H](C)C1 ZINC001101827303 801991740 /nfs/dbraw/zinc/99/17/40/801991740.db2.gz YVBSTMIOVDONRJ-UETGSQEOSA-N 1 1 292.467 3.239 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)C2CCC2)[C@H](C)C1 ZINC001102080324 801997247 /nfs/dbraw/zinc/99/72/47/801997247.db2.gz ZUOHBXZOOMPCPI-BFYDXBDKSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C ZINC001102326642 802003772 /nfs/dbraw/zinc/00/37/72/802003772.db2.gz WKZVKWPGDMOISD-KYJSFNMBSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](CNC(=O)C(C)(C)CC)[C@H](C)C1 ZINC001102298990 802004040 /nfs/dbraw/zinc/00/40/40/802004040.db2.gz HEARKZYJROOQCL-OWCLPIDISA-N 1 1 294.483 3.461 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@@H]1C[N@@H+](CCCCC)C[C@H]1C ZINC001102264491 802004201 /nfs/dbraw/zinc/00/42/01/802004201.db2.gz MOTHKDNAAFUDLA-BRWVUGGUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC[N@H+]1C[C@@H](CNC(=O)CC2CCCCCC2)[C@H](C)C1 ZINC001102409203 802007513 /nfs/dbraw/zinc/00/75/13/802007513.db2.gz PTUHKAYDKBOFDM-NVXWUHKLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](CNC(=O)C(CC)(CC)CC)[C@H](C)C1 ZINC001102482029 802007959 /nfs/dbraw/zinc/00/79/59/802007959.db2.gz DLDUMGHBOMAZRB-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)CCC(=O)NCC[C@@H]1C[N@H+](CCC2CC2)C[C@H]1C ZINC001103040048 802026986 /nfs/dbraw/zinc/02/69/86/802026986.db2.gz CVBMATYPRUEGQU-NVXWUHKLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(CC(C)C)CC2)C1 ZINC001103072682 802027496 /nfs/dbraw/zinc/02/74/96/802027496.db2.gz BEIIBYYKMCOKGN-HZPDHXFCSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC(C)(C)C(=O)NCC[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC001103474748 802035531 /nfs/dbraw/zinc/03/55/31/802035531.db2.gz KMBRWNKFJMGRLO-HUUCEWRRSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](C/C=C/Cl)CC2 ZINC001107319899 802085108 /nfs/dbraw/zinc/08/51/08/802085108.db2.gz VANMTTJZUJRSLM-CYEDMXMGSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC1CCCC1)C2 ZINC001108887503 802102853 /nfs/dbraw/zinc/10/28/53/802102853.db2.gz INMZBZKOZRVGGT-IKGGRYGDSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(C)(C)C)C2 ZINC001108936578 802103743 /nfs/dbraw/zinc/10/37/43/802103743.db2.gz NJZRBMWVOVKTSN-ILXRZTDVSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C=C\C(C)(C)C)C2 ZINC001109084078 802108015 /nfs/dbraw/zinc/10/80/15/802108015.db2.gz QDSMMJMKWWUQIQ-DRIBQHHGSA-N 1 1 290.451 3.276 20 30 CGEDMO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCCC1 ZINC001109055247 802108863 /nfs/dbraw/zinc/10/88/63/802108863.db2.gz VGOIQDWVSPVSLB-IKGGRYGDSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C=C(/C)CC)C2 ZINC001109245483 802113332 /nfs/dbraw/zinc/11/33/32/802113332.db2.gz RQWYMLRADTWZKW-YSMBWTQLSA-N 1 1 290.451 3.419 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C\Cl ZINC001109343198 802114871 /nfs/dbraw/zinc/11/48/71/802114871.db2.gz NFUZNSKLZXXOJN-MPPRPQTISA-N 1 1 296.842 3.063 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C/C=C\Cl ZINC001109343198 802114872 /nfs/dbraw/zinc/11/48/72/802114872.db2.gz NFUZNSKLZXXOJN-MPPRPQTISA-N 1 1 296.842 3.063 20 30 CGEDMO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(C)C ZINC001109657155 802120768 /nfs/dbraw/zinc/12/07/68/802120768.db2.gz BIVDLPDIVYVWDG-PMPSAXMXSA-N 1 1 276.424 3.030 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CCC)CC(C)C)C2 ZINC001110174332 802131627 /nfs/dbraw/zinc/13/16/27/802131627.db2.gz XIQYDCHQNGUHAD-NCOADZHNSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)/C(C)=C/C)C2 ZINC001110435390 802142613 /nfs/dbraw/zinc/14/26/13/802142613.db2.gz KVZXLKUNERHUSJ-GZNCNNGESA-N 1 1 290.451 3.421 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C(C)(C)C)C2 ZINC001110721655 802147073 /nfs/dbraw/zinc/14/70/73/802147073.db2.gz HEJXWQOJDFMQRM-JJXSEGSLSA-N 1 1 292.467 3.356 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C/Cl ZINC001110934698 802150351 /nfs/dbraw/zinc/15/03/51/802150351.db2.gz KZLXVFZPINWFQY-NAQDFJKXSA-N 1 1 296.842 3.063 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C/C=C/Cl ZINC001110934698 802150353 /nfs/dbraw/zinc/15/03/53/802150353.db2.gz KZLXVFZPINWFQY-NAQDFJKXSA-N 1 1 296.842 3.063 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1 ZINC001110984219 802151919 /nfs/dbraw/zinc/15/19/19/802151919.db2.gz ANCCBHLVBCLOJI-CBZIJGRNSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=C)C)CC1 ZINC001110988155 802152354 /nfs/dbraw/zinc/15/23/54/802152354.db2.gz RWCTXQHSEPSACG-OAGGEKHMSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC1CCCC1)C2 ZINC001111470881 802161211 /nfs/dbraw/zinc/16/12/11/802161211.db2.gz DZVFMGWXOBOFHT-ZACQAIPSSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC(C)C)C1 ZINC001111584292 802163556 /nfs/dbraw/zinc/16/35/56/802163556.db2.gz NKEIGFWVPJUIFU-WMZOPIPTSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC(C)(C)C)C1 ZINC001111662133 802164320 /nfs/dbraw/zinc/16/43/20/802164320.db2.gz IMUYMGLXOSUUNT-YJBOKZPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCCC(C)C)C2 ZINC001111650040 802165035 /nfs/dbraw/zinc/16/50/35/802165035.db2.gz BQJCTCZTJREJHH-WMZOPIPTSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC[NH+](CC/C=C\CCC)CC2)C1 ZINC001113322946 802215178 /nfs/dbraw/zinc/21/51/78/802215178.db2.gz GLBOJFCJMVJMDR-SREVYHEPSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC(C)(C)C ZINC001114045335 802237917 /nfs/dbraw/zinc/23/79/17/802237917.db2.gz YGLNUARSJVNOCY-NHAGDIPZSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC(C)(C)C ZINC001114045335 802237922 /nfs/dbraw/zinc/23/79/22/802237922.db2.gz YGLNUARSJVNOCY-NHAGDIPZSA-N 1 1 298.858 3.002 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC(=C)C ZINC001114352536 802241508 /nfs/dbraw/zinc/24/15/08/802241508.db2.gz BWEQHISVZXYOGD-VQFNDLOPSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)C(C)C ZINC001114338080 802241839 /nfs/dbraw/zinc/24/18/39/802241839.db2.gz DPXUSPLYLUTSSL-WCVJEAGWSA-N 1 1 292.467 3.070 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(CC)CC)C[C@H]21 ZINC001114728453 802244834 /nfs/dbraw/zinc/24/48/34/802244834.db2.gz GOCWJODBVRSBCP-KMANFZQXSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)CC(C)(C)C ZINC001114937587 802248399 /nfs/dbraw/zinc/24/83/99/802248399.db2.gz OTHYGVOESWDNMG-CAOSSQGBSA-N 1 1 292.467 3.071 20 30 CGEDMO C#C[C@@H]1CCCN(c2ccc([C@H]3CCCC[N@@H+]3CC)cn2)C1 ZINC001165135651 806971400 /nfs/dbraw/zinc/97/14/00/806971400.db2.gz GRSFVBINBQUXFM-SJLPKXTDSA-N 1 1 297.446 3.478 20 30 CGEDMO C#CC[N@H+](Cc1cc2cc(OC)ccc2o1)CC1CC1 ZINC001116450301 802354557 /nfs/dbraw/zinc/35/45/57/802354557.db2.gz ZEQLQVCOJVUQBW-UHFFFAOYSA-N 1 1 269.344 3.287 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001266390623 808254966 /nfs/dbraw/zinc/25/49/66/808254966.db2.gz FMCNPQDZYUJVRF-JKSUJKDBSA-N 1 1 294.483 3.463 20 30 CGEDMO CCCCCCCC[C@@H](CC)[NH2+][C@@](N)(CC)CO ZINC001172501513 808356713 /nfs/dbraw/zinc/35/67/13/808356713.db2.gz CYRDGBSSLFHFHL-CABCVRRESA-N 1 1 258.450 3.163 20 30 CGEDMO CCC[N@@H+](CCc1ccccn1)[C@@H](C)CCCC#N ZINC001172501744 808357512 /nfs/dbraw/zinc/35/75/12/808357512.db2.gz RFIAUJPCAIYLGS-HNNXBMFYSA-N 1 1 259.397 3.418 20 30 CGEDMO C=CC[N@@H+]1CCC[C@](C)(CNC(=O)C2CCCCCC2)C1 ZINC001270942487 808755641 /nfs/dbraw/zinc/75/56/41/808755641.db2.gz YZLDVHIKEPFGDT-GOSISDBHSA-N 1 1 292.467 3.361 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1nc2c(s1)C[C@H](C)CC2)C(C)(C)C ZINC001117645785 802474144 /nfs/dbraw/zinc/47/41/44/802474144.db2.gz MGLQNKAZOWXXPF-BXUZGUMPSA-N 1 1 276.449 3.405 20 30 CGEDMO CCCC1CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC001117865295 802508783 /nfs/dbraw/zinc/50/87/83/802508783.db2.gz AIFHXGZDWCHEBI-UHFFFAOYSA-N 1 1 287.363 3.479 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1 ZINC001118321425 802549331 /nfs/dbraw/zinc/54/93/31/802549331.db2.gz OFOLCSFJFDNNPG-SJLPKXTDSA-N 1 1 298.430 3.489 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCC)C1 ZINC001120289868 802738517 /nfs/dbraw/zinc/73/85/17/802738517.db2.gz IIHBEOVWHHDIAT-IAGOWNOFSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)/C(C)=C/CC)C1 ZINC001120339285 802739873 /nfs/dbraw/zinc/73/98/73/802739873.db2.gz VFUVUAHNRLKXEG-DWDUUHQUSA-N 1 1 290.451 3.232 20 30 CGEDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1Nc1ccc2cc(C#N)ccc2n1 ZINC001120824484 802784374 /nfs/dbraw/zinc/78/43/74/802784374.db2.gz SEJZMUJRTHBZIA-YVEFUNNKSA-N 1 1 292.386 3.001 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)C2CCCC2)CC[C@@H]1C ZINC001131730489 803338458 /nfs/dbraw/zinc/33/84/58/803338458.db2.gz MFSMLEIMPGPJDK-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@H](NC(=O)CSC)CC[C@@H]1C ZINC001131807297 803346603 /nfs/dbraw/zinc/34/66/03/803346603.db2.gz AZIKKZNFGOSWDE-LSDHHAIUSA-N 1 1 298.496 3.065 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)CCC2CCC2)CC[C@H]1C ZINC001131942187 803360288 /nfs/dbraw/zinc/36/02/88/803360288.db2.gz ALVOPPXCVZGUCM-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)c2coc(C)c2)CC[C@@H]1C ZINC001131984923 803363842 /nfs/dbraw/zinc/36/38/42/803363842.db2.gz RNEHHUPTWOOQHS-BBRMVZONSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)CC(C)(C)CC)CC[C@@H]1C ZINC001132054916 803369753 /nfs/dbraw/zinc/36/97/53/803369753.db2.gz UWWYPKYHTWFKEA-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)CCC(=C)C)CC[C@@H]1C ZINC001132072522 803371172 /nfs/dbraw/zinc/37/11/72/803371172.db2.gz LPWMSJWDIFWRED-HOTGVXAUSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)CC(C)(C)C=C)CC[C@@H]1C ZINC001132060751 803371287 /nfs/dbraw/zinc/37/12/87/803371287.db2.gz KNEUOIDNBXUMHW-GJZGRUSLSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCCC)C1 ZINC001132061735 803371374 /nfs/dbraw/zinc/37/13/74/803371374.db2.gz YDSGLNJNDZYQLQ-GJZGRUSLSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCCC)C1 ZINC001132071482 803371664 /nfs/dbraw/zinc/37/16/64/803371664.db2.gz BDXBTJUBKSUYTL-CABCVRRESA-N 1 1 266.429 3.112 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC=C(C)C)C1 ZINC001132071477 803371785 /nfs/dbraw/zinc/37/17/85/803371785.db2.gz BDFAIMFAKSOFNA-CVEARBPZSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCCC)C1 ZINC001132221763 803380263 /nfs/dbraw/zinc/38/02/63/803380263.db2.gz NNLRWWXRPTYWPC-HUUCEWRRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](CCCCCF)C1 ZINC001132256141 803389031 /nfs/dbraw/zinc/38/90/31/803389031.db2.gz JTUKRPFDUWIDNS-HOTGVXAUSA-N 1 1 298.446 3.452 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)C2(C(C)C)CC2)CC[C@@H]1C ZINC001132274419 803389634 /nfs/dbraw/zinc/38/96/34/803389634.db2.gz TWEKLLYQFDVESO-HOTGVXAUSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCC1(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CC(C)C)C2)CC1 ZINC001132278027 803390225 /nfs/dbraw/zinc/39/02/25/803390225.db2.gz LHWINJLBBBXDRH-JKSUJKDBSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)C2(C)CC(=C)C2)CC[C@H]1C ZINC001132288726 803392618 /nfs/dbraw/zinc/39/26/18/803392618.db2.gz VRNSBJBYOOXACL-HZPDHXFCSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)C2CC3(CC3)C2)CC[C@@H]1C ZINC001132291291 803392686 /nfs/dbraw/zinc/39/26/86/803392686.db2.gz IYFKOWGZIGWKRA-GOEBONIOSA-N 1 1 290.451 3.112 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CCC23CCCCC3)cc1 ZINC001137115270 803685381 /nfs/dbraw/zinc/68/53/81/803685381.db2.gz FWZQDKMLZJTASB-UHFFFAOYSA-N 1 1 270.376 3.498 20 30 CGEDMO COc1ccc(C[NH+]2CC(c3ccccc3)C2)c(C#N)c1 ZINC001137704519 803760947 /nfs/dbraw/zinc/76/09/47/803760947.db2.gz JQVKDSGUZBJTJZ-UHFFFAOYSA-N 1 1 278.355 3.166 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1C#N)C(C)(C)C ZINC001137706158 803762188 /nfs/dbraw/zinc/76/21/88/803762188.db2.gz PZHKKXCOYPRTHO-UHFFFAOYSA-N 1 1 258.365 3.353 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cccc(OC(C)=O)c1 ZINC001138045357 803841322 /nfs/dbraw/zinc/84/13/22/803841322.db2.gz MWVAUDVIWVXBKZ-UHFFFAOYSA-N 1 1 261.365 3.400 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]nc1-c1cccs1 ZINC001138156147 803867223 /nfs/dbraw/zinc/86/72/23/803867223.db2.gz GPFJVGRWBOJOST-DEZZGGKRSA-N 1 1 298.415 3.405 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCCC[C@H](F)C2)cc1OC ZINC001138343061 803898944 /nfs/dbraw/zinc/89/89/44/803898944.db2.gz FVXYEUIAKFXRFC-HNNXBMFYSA-N 1 1 291.366 3.031 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCCC[C@H](F)C2)cc1OC ZINC001138343061 803898953 /nfs/dbraw/zinc/89/89/53/803898953.db2.gz FVXYEUIAKFXRFC-HNNXBMFYSA-N 1 1 291.366 3.031 20 30 CGEDMO C#CCOc1ccc(C[N@@H+](C)CC2CCCC2)cc1OC ZINC001138349025 803900229 /nfs/dbraw/zinc/90/02/29/803900229.db2.gz QTYWNEWGQXLYMF-UHFFFAOYSA-N 1 1 287.403 3.329 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1c[nH]c2cc(OC)ccc12 ZINC001138589239 803974889 /nfs/dbraw/zinc/97/48/89/803974889.db2.gz YUQOAKBDNZPGGW-UHFFFAOYSA-N 1 1 271.364 3.302 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1c[nH]c2cc(OC)ccc12 ZINC001138589239 803974896 /nfs/dbraw/zinc/97/48/96/803974896.db2.gz YUQOAKBDNZPGGW-UHFFFAOYSA-N 1 1 271.364 3.302 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnn(-c2ccccc2)c1 ZINC001138603031 803976257 /nfs/dbraw/zinc/97/62/57/803976257.db2.gz YQOIDSJROMLCFW-GJWQZFMSSA-N 1 1 292.386 3.139 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CCc3ncccc3C2)c1O ZINC001138628889 803984775 /nfs/dbraw/zinc/98/47/75/803984775.db2.gz IPJDLPOCTHLGAE-UHFFFAOYSA-N 1 1 280.371 3.074 20 30 CGEDMO C=CCc1cccc(C[NH+]2CC(OCCCC)C2)c1O ZINC001138628899 803986160 /nfs/dbraw/zinc/98/61/60/803986160.db2.gz JAKJQLBPRAAJLB-UHFFFAOYSA-N 1 1 275.392 3.122 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+](CC)CCn1cccn1 ZINC001138665561 803996302 /nfs/dbraw/zinc/99/63/02/803996302.db2.gz QKSJKZMCGQMUBY-UHFFFAOYSA-N 1 1 299.418 3.360 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC001138665300 803997452 /nfs/dbraw/zinc/99/74/52/803997452.db2.gz MCDXTZXBCYNBPY-XHVUQVIVSA-N 1 1 299.414 3.251 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1cnc2ccccc2n1 ZINC001138866413 804058320 /nfs/dbraw/zinc/05/83/20/804058320.db2.gz PCKDCFNFUSGGLH-UHFFFAOYSA-N 1 1 288.354 3.133 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cnc2ccccc2n1 ZINC001138866413 804058327 /nfs/dbraw/zinc/05/83/27/804058327.db2.gz PCKDCFNFUSGGLH-UHFFFAOYSA-N 1 1 288.354 3.133 20 30 CGEDMO CCCCCCCC[C@@H](O)C[NH2+][C@H](CN)c1ccccc1 ZINC001245976480 804092304 /nfs/dbraw/zinc/09/23/04/804092304.db2.gz TZCWERYOHJVHQH-QZTJIDSGSA-N 1 1 292.467 3.388 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[NH2+]C[C@H](N)C(C)C ZINC001246003787 804097834 /nfs/dbraw/zinc/09/78/34/804097834.db2.gz NXUCZIXMBGSEGD-IRXDYDNUSA-N 1 1 286.504 3.451 20 30 CGEDMO CCCCCCCCCC[C@H](O)CNC[C@H]([NH3+])C(C)C ZINC001246003787 804097844 /nfs/dbraw/zinc/09/78/44/804097844.db2.gz NXUCZIXMBGSEGD-IRXDYDNUSA-N 1 1 286.504 3.451 20 30 CGEDMO CCCCCCCC[C@@H](O)CN1CCC[C@@H](C[NH2+]C)C1 ZINC001246014750 804098249 /nfs/dbraw/zinc/09/82/49/804098249.db2.gz CUVNQLVKBPBSGP-DLBZAZTESA-N 1 1 284.488 3.029 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCNC2=CCCC[C@H]21 ZINC001246064367 804107264 /nfs/dbraw/zinc/10/72/64/804107264.db2.gz LPVPOJZFRDPKMV-FUHWJXTLSA-N 1 1 292.467 3.216 20 30 CGEDMO C=CCCCCCC[C@H](O)CN1CC[NH2+]C2=CCCC[C@H]21 ZINC001246064367 804107270 /nfs/dbraw/zinc/10/72/70/804107270.db2.gz LPVPOJZFRDPKMV-FUHWJXTLSA-N 1 1 292.467 3.216 20 30 CGEDMO C#CC(CC)(CC)N[C@@H]1CC[NH2+][C@H](CCCC)C1 ZINC001246073312 804112376 /nfs/dbraw/zinc/11/23/76/804112376.db2.gz XDDOTYOSRZSXQF-HUUCEWRRSA-N 1 1 250.430 3.079 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC(C)(C)C[C@@]1(C)CO ZINC001139028803 804112397 /nfs/dbraw/zinc/11/23/97/804112397.db2.gz CTZLPDGZJIJUHQ-SFHVURJKSA-N 1 1 289.419 3.234 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@]12CCOC2 ZINC001139030313 804114989 /nfs/dbraw/zinc/11/49/89/804114989.db2.gz JAXKOYMVRAKQNR-QGZVFWFLSA-N 1 1 273.376 3.006 20 30 CGEDMO C=C1C[C@@H]2CC([NH2+]C[C@@H]3CC[C@@H](C)CN3)C[C@H](C1)C2 ZINC001246109526 804141665 /nfs/dbraw/zinc/14/16/65/804141665.db2.gz XWCUMKNNAJHXLE-GBZVZXMBSA-N 1 1 262.441 3.099 20 30 CGEDMO Cn1ccc2cc(C[N@@H+]3[C@@H]4CC[C@H]3C[C@H](C#N)C4)ccc21 ZINC001139189411 804153677 /nfs/dbraw/zinc/15/36/77/804153677.db2.gz AWLAFIIXGKSFSZ-XGBSXSJOSA-N 1 1 279.387 3.445 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1ccc2c(ccn2C)c1 ZINC001139190921 804153760 /nfs/dbraw/zinc/15/37/60/804153760.db2.gz AWKNLGCWQFKJTE-UHFFFAOYSA-N 1 1 255.365 3.304 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1ccc2c(ccn2C)c1 ZINC001139190921 804153764 /nfs/dbraw/zinc/15/37/64/804153764.db2.gz AWKNLGCWQFKJTE-UHFFFAOYSA-N 1 1 255.365 3.304 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1ccc2nsnc2c1 ZINC001139213468 804165769 /nfs/dbraw/zinc/16/57/69/804165769.db2.gz ZGHKNRAWLRLIOE-UHFFFAOYSA-N 1 1 274.393 3.207 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1ccc2nsnc2c1 ZINC001139213468 804165772 /nfs/dbraw/zinc/16/57/72/804165772.db2.gz ZGHKNRAWLRLIOE-UHFFFAOYSA-N 1 1 274.393 3.207 20 30 CGEDMO C=CC[N@H+](Cc1cc(C(=O)OC)n(C)c1)C1CCCCC1 ZINC001139375622 804183809 /nfs/dbraw/zinc/18/38/09/804183809.db2.gz HQSMTJXNWNJMAE-UHFFFAOYSA-N 1 1 290.407 3.132 20 30 CGEDMO CCCCCCCCC[C@H](C)[NH2+]C[C@@]1(O)CCCNC1 ZINC001246235456 804228628 /nfs/dbraw/zinc/22/86/28/804228628.db2.gz YBJYLSZIXUAIFZ-DLBZAZTESA-N 1 1 284.488 3.220 20 30 CGEDMO C#Cc1cccc(CN[C@H]2C[C@@H](CC)[NH2+][C@@H](CC)C2)c1 ZINC001246261032 804242792 /nfs/dbraw/zinc/24/27/92/804242792.db2.gz CPVVSCBRSQVLFP-PIIMJCKOSA-N 1 1 270.420 3.067 20 30 CGEDMO Cc1nc2cc(C)ccn2c1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001139676570 804250382 /nfs/dbraw/zinc/25/03/82/804250382.db2.gz FMEDBUDACQVFNS-HNNXBMFYSA-N 1 1 282.391 3.077 20 30 CGEDMO N#Cc1c(Cl)cccc1C[NH+]1CCC(CF)CC1 ZINC001139692109 804257047 /nfs/dbraw/zinc/25/70/47/804257047.db2.gz NIMGFSPKDYEMCT-UHFFFAOYSA-N 1 1 266.747 3.393 20 30 CGEDMO Cc1ccc(C[N@@H+](C)CCOc2ccccc2)cc1C#N ZINC001139724318 804267247 /nfs/dbraw/zinc/26/72/47/804267247.db2.gz OCNDZKKDZOXRGW-UHFFFAOYSA-N 1 1 280.371 3.378 20 30 CGEDMO CCCCCCCCCC[C@H](C)[NH2+][C@@H]1CNC[C@H]1CO ZINC001246302028 804267842 /nfs/dbraw/zinc/26/78/42/804267842.db2.gz ZVECQYXXCOELFC-YESZJQIVSA-N 1 1 284.488 3.076 20 30 CGEDMO C=CCn1cc(C[N@@H+](C)[C@H](C)c2ccccc2OC)cn1 ZINC001139772776 804280420 /nfs/dbraw/zinc/28/04/20/804280420.db2.gz QJPFMGFSCOFRAB-CQSZACIVSA-N 1 1 285.391 3.271 20 30 CGEDMO C=CCn1cc(C[N@H+](C)[C@H](C)c2ccccc2OC)cn1 ZINC001139772776 804280425 /nfs/dbraw/zinc/28/04/25/804280425.db2.gz QJPFMGFSCOFRAB-CQSZACIVSA-N 1 1 285.391 3.271 20 30 CGEDMO C=CCn1cc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)cn1 ZINC001139772700 804280488 /nfs/dbraw/zinc/28/04/88/804280488.db2.gz PHQLYYKRBRXBHQ-INIZCTEOSA-N 1 1 285.366 3.198 20 30 CGEDMO CCCCCCC[N@@H+](CC)Cc1cnn(CCOC)c1 ZINC001139780626 804280766 /nfs/dbraw/zinc/28/07/66/804280766.db2.gz IXDVDNIMNNBFAY-UHFFFAOYSA-N 1 1 281.444 3.322 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cccc3occc32)no1 ZINC001212325404 815005917 /nfs/dbraw/zinc/00/59/17/815005917.db2.gz QRMJRQMJRMZVAR-ZDUSSCGKSA-N 1 1 281.315 3.286 20 30 CGEDMO N#Cc1cc(F)cc(C[N@H+]2CCC[C@H](c3ccccn3)C2)c1 ZINC001139874978 804305779 /nfs/dbraw/zinc/30/57/79/804305779.db2.gz DXXIKSXDZZDYRQ-INIZCTEOSA-N 1 1 295.361 3.472 20 30 CGEDMO C#CC1(N[C@H]2C[C@@H](CC)[NH2+][C@@H](CC)C2)CCCCC1 ZINC001246464939 804345729 /nfs/dbraw/zinc/34/57/29/804345729.db2.gz UZSGEIVANLLOBS-ZSHCYNCHSA-N 1 1 262.441 3.221 20 30 CGEDMO N#CCC1CC[NH+](Cc2cc(C(F)(F)F)ccn2)CC1 ZINC001140108127 804376753 /nfs/dbraw/zinc/37/67/53/804376753.db2.gz MNGVPSPCQIJEPS-UHFFFAOYSA-N 1 1 283.297 3.226 20 30 CGEDMO C[C@]1(F)CCC[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140110412 804379941 /nfs/dbraw/zinc/37/99/41/804379941.db2.gz LSJUJWCZPTXYAC-INIZCTEOSA-N 1 1 271.339 3.364 20 30 CGEDMO COC(C)(C)[C@H]1CCC[N@H+]1Cc1c[nH]c2ccc(C#N)cc12 ZINC001140114921 804380826 /nfs/dbraw/zinc/38/08/26/804380826.db2.gz GACKQKGIGORBGR-QGZVFWFLSA-N 1 1 297.402 3.429 20 30 CGEDMO C[C@]1(N)CC[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001246528981 804380916 /nfs/dbraw/zinc/38/09/16/804380916.db2.gz IUNWBQLTNQUIMS-ABHNRTSZSA-N 1 1 283.419 3.008 20 30 CGEDMO C[C@]1(N)CC[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001246528981 804380923 /nfs/dbraw/zinc/38/09/23/804380923.db2.gz IUNWBQLTNQUIMS-ABHNRTSZSA-N 1 1 283.419 3.008 20 30 CGEDMO C[C@]1([NH3+])CCN(C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001246528981 804380933 /nfs/dbraw/zinc/38/09/33/804380933.db2.gz IUNWBQLTNQUIMS-ABHNRTSZSA-N 1 1 283.419 3.008 20 30 CGEDMO N#Cc1ccc2[nH]cc(C[N@H+]3CC[C@H]4OCCC[C@@H]4C3)c2c1 ZINC001140112472 804381025 /nfs/dbraw/zinc/38/10/25/804381025.db2.gz VJZCPGOPAVHUEI-RDTXWAMCSA-N 1 1 295.386 3.040 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](F)C(F)(F)CC2)c(F)c1 ZINC001140135226 804384890 /nfs/dbraw/zinc/38/48/90/804384890.db2.gz YHQLAFZFMBHHKW-CYBMUJFWSA-N 1 1 286.272 3.267 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](F)C(F)(F)CC2)c(F)c1 ZINC001140135226 804384897 /nfs/dbraw/zinc/38/48/97/804384897.db2.gz YHQLAFZFMBHHKW-CYBMUJFWSA-N 1 1 286.272 3.267 20 30 CGEDMO Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(C)cc1O ZINC001140201022 804400957 /nfs/dbraw/zinc/40/09/57/804400957.db2.gz CYMPMWRCUHHNPQ-MKZZRHPPSA-N 1 1 270.376 3.276 20 30 CGEDMO CCCCCCC[C@@H](CCC)[N@H+]1CCNC[C@@H]1COC ZINC001246593469 804435225 /nfs/dbraw/zinc/43/52/25/804435225.db2.gz IATZIXKDUKRSCD-IAGOWNOFSA-N 1 1 284.488 3.436 20 30 CGEDMO CCCCCCC[C@@H](CCC)N1CC[NH2+]C[C@@H]1COC ZINC001246593469 804435227 /nfs/dbraw/zinc/43/52/27/804435227.db2.gz IATZIXKDUKRSCD-IAGOWNOFSA-N 1 1 284.488 3.436 20 30 CGEDMO Cc1cc(C[N@H+]2CCc3ccc(C#N)cc3C2)ccc1O ZINC001140573096 804462690 /nfs/dbraw/zinc/46/26/90/804462690.db2.gz DWTRLJOYBOTNEA-UHFFFAOYSA-N 1 1 278.355 3.131 20 30 CGEDMO N#Cc1ccc(Cl)c(C[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)c1 ZINC001140600054 804470896 /nfs/dbraw/zinc/47/08/96/804470896.db2.gz AIBKICXHLMJQDI-NEPJUHHUSA-N 1 1 282.721 3.299 20 30 CGEDMO Cc1ccc(F)cc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001140595024 804470980 /nfs/dbraw/zinc/47/09/80/804470980.db2.gz YHRUSYMQHNGRRN-DVSIDAKKSA-N 1 1 258.340 3.401 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cccc3ccncc32)C1 ZINC001140644139 804483097 /nfs/dbraw/zinc/48/30/97/804483097.db2.gz AOYXBHROIBFXAS-CQSZACIVSA-N 1 1 250.345 3.080 20 30 CGEDMO CCCCCCCC[C@@H](CC)[N@H+]1C[C@@H]2COC[C@H](C1)N2 ZINC001246678487 804492988 /nfs/dbraw/zinc/49/29/88/804492988.db2.gz WQHMZKRFUONXOA-IXDOHACOSA-N 1 1 282.472 3.188 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2cc(F)c(C#N)c(F)c2)C1 ZINC001140751124 804504523 /nfs/dbraw/zinc/50/45/23/804504523.db2.gz KGPHNGSDOMQPHH-SNVBAGLBSA-N 1 1 250.292 3.068 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cc(F)c(C#N)c(F)c2)[C@H](C)C1 ZINC001140754087 804505882 /nfs/dbraw/zinc/50/58/82/804505882.db2.gz OSQFIWASKQDDQS-GHMZBOCLSA-N 1 1 264.319 3.457 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cc(F)c(C#N)c(F)c2)[C@@H](C)C1 ZINC001140754088 804505938 /nfs/dbraw/zinc/50/59/38/804505938.db2.gz OSQFIWASKQDDQS-MNOVXSKESA-N 1 1 264.319 3.457 20 30 CGEDMO CCCCN(CCC#N)[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256916971 807011167 /nfs/dbraw/zinc/01/11/67/807011167.db2.gz IOUVMCVLDPVRLY-QGZVFWFLSA-N 1 1 277.456 3.409 20 30 CGEDMO N#CC1CCC([N@H+]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001256968821 807019614 /nfs/dbraw/zinc/01/96/14/807019614.db2.gz OPGSAWXQPALMRM-CXQJBGSLSA-N 1 1 260.303 3.343 20 30 CGEDMO N#Cc1c(N)sc(C[N@H+]2CCC23CCCC3)c1Cl ZINC001141106496 804590097 /nfs/dbraw/zinc/59/00/97/804590097.db2.gz AYKOBRCZSGVXSA-UHFFFAOYSA-N 1 1 281.812 3.374 20 30 CGEDMO C[C@]1(CF)CC[N@@H+](Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141106852 804590650 /nfs/dbraw/zinc/59/06/50/804590650.db2.gz JTWXRFICCJETSC-GFCCVEGCSA-N 1 1 287.791 3.037 20 30 CGEDMO CC[C@@H]1CC(N(C)Cc2cccc(C#N)c2)C[C@@H](CC)[NH2+]1 ZINC001246907204 804592134 /nfs/dbraw/zinc/59/21/34/804592134.db2.gz IPIDIYFQQOOPMB-IAGOWNOFSA-N 1 1 285.435 3.299 20 30 CGEDMO CCCCCCCCCC[C@@H](C)[N@H+]1C[C@@H](N)C[C@@H]1CO ZINC001246940952 804610994 /nfs/dbraw/zinc/61/09/94/804610994.db2.gz XCXSRMSRNMKGRK-IXDOHACOSA-N 1 1 284.488 3.300 20 30 CGEDMO CCCCCCCCCC[C@@H](C)N1C[C@@H]([NH3+])C[C@@H]1CO ZINC001246940952 804610997 /nfs/dbraw/zinc/61/09/97/804610997.db2.gz XCXSRMSRNMKGRK-IXDOHACOSA-N 1 1 284.488 3.300 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)nc2C)C1 ZINC001141433113 804641590 /nfs/dbraw/zinc/64/15/90/804641590.db2.gz ZKMPAZUKGHJYJU-LBPRGKRZSA-N 1 1 282.309 3.254 20 30 CGEDMO CC1(C#N)CC[NH+](Cc2cc3cccnc3cc2F)CC1 ZINC001141630749 804658335 /nfs/dbraw/zinc/65/83/35/804658335.db2.gz ARXYWGBRJRNNBJ-UHFFFAOYSA-N 1 1 283.350 3.500 20 30 CGEDMO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@H]3C[C@H]32)c1 ZINC001141664458 804662839 /nfs/dbraw/zinc/66/28/39/804662839.db2.gz LTKILGGCWHAWAD-SMDDNHRTSA-N 1 1 291.192 3.305 20 30 CGEDMO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@H]3C[C@H]32)c1 ZINC001141664458 804662841 /nfs/dbraw/zinc/66/28/41/804662841.db2.gz LTKILGGCWHAWAD-SMDDNHRTSA-N 1 1 291.192 3.305 20 30 CGEDMO CSc1nc(C[N@H+]2CCC[C@](C)(F)CC2)ccc1C#N ZINC001141931670 804680824 /nfs/dbraw/zinc/68/08/24/804680824.db2.gz HYDGVIQCIYLVHC-HNNXBMFYSA-N 1 1 293.411 3.389 20 30 CGEDMO C[N@H+]1CCC[C@H](CCNc2cccc(CC#N)c2F)C1 ZINC001165279353 806986393 /nfs/dbraw/zinc/98/63/93/806986393.db2.gz TZPOHABGQPLSJQ-CYBMUJFWSA-N 1 1 275.371 3.036 20 30 CGEDMO C[N@H+]1CCC[C@@H](CCNc2cccc3[nH]c(C#N)cc32)C1 ZINC001165279587 806986630 /nfs/dbraw/zinc/98/66/30/806986630.db2.gz WKFLHPGLZBYWAT-ZDUSSCGKSA-N 1 1 282.391 3.183 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2cccc(Cl)c2F)no1 ZINC001247622200 804782871 /nfs/dbraw/zinc/78/28/71/804782871.db2.gz IEVZQORAGBBYCC-JTQLQIEISA-N 1 1 281.718 3.495 20 30 CGEDMO CCCO[C@@H]1CC[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)C1 ZINC001142920794 804783024 /nfs/dbraw/zinc/78/30/24/804783024.db2.gz BZUAWNGNHAPNTH-OAHLLOKOSA-N 1 1 283.375 3.040 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2cncc(C(F)(F)F)c2)no1 ZINC001247622700 804783758 /nfs/dbraw/zinc/78/37/58/804783758.db2.gz QTFZGGYNOHSYCB-JTQLQIEISA-N 1 1 298.268 3.116 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1c(OC)cc(C)cc1OC ZINC001143142511 804807221 /nfs/dbraw/zinc/80/72/21/804807221.db2.gz FNBXUVQLPMDLND-UHFFFAOYSA-N 1 1 263.381 3.410 20 30 CGEDMO C[C@H]1CCCC[N@@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143165132 804815073 /nfs/dbraw/zinc/81/50/73/804815073.db2.gz VTTAUPZTMPZTIA-NSHDSACASA-N 1 1 264.319 3.458 20 30 CGEDMO CCOc1ccc(C[NH+]2CCC(S)CC2)c(F)c1F ZINC001143278634 804832242 /nfs/dbraw/zinc/83/22/42/804832242.db2.gz LHTUDBJWFPWQBA-UHFFFAOYSA-N 1 1 287.375 3.258 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2cc(F)c(SC)cc2F)no1 ZINC001247962797 804857867 /nfs/dbraw/zinc/85/78/67/804857867.db2.gz FOFFWYCYLCBSCK-JTQLQIEISA-N 1 1 297.330 3.313 20 30 CGEDMO Cc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc(F)c1F ZINC001143607579 804875769 /nfs/dbraw/zinc/87/57/69/804875769.db2.gz RSVBEEPFJCCATH-LBPRGKRZSA-N 1 1 264.319 3.399 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)cc(F)c1F ZINC001143607579 804875775 /nfs/dbraw/zinc/87/57/75/804875775.db2.gz RSVBEEPFJCCATH-LBPRGKRZSA-N 1 1 264.319 3.399 20 30 CGEDMO CC(C)[N@@H+](C)[C@H]1CCN(Cc2c(Cl)cccc2C#N)C1 ZINC001143731914 804889956 /nfs/dbraw/zinc/88/99/56/804889956.db2.gz HTNMOSVCAMFRJD-AWEZNQCLSA-N 1 1 291.826 3.126 20 30 CGEDMO COc1ccc(C[NH+]2CCC(CC#N)CC2)c(F)c1F ZINC001143910609 804905764 /nfs/dbraw/zinc/90/57/64/804905764.db2.gz KETIVEHSYYIQOV-UHFFFAOYSA-N 1 1 280.318 3.099 20 30 CGEDMO C[C@H]1C[C@@H](O)CC[N@H+]1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257019222 807029683 /nfs/dbraw/zinc/02/96/83/807029683.db2.gz KRRAZQWTNGARBW-QKHJWGRCSA-N 1 1 298.430 3.430 20 30 CGEDMO C[N@@H+](Cc1cncc(C#N)c1)C12CC3CC(CC(C3)C1)C2 ZINC001144079779 804933920 /nfs/dbraw/zinc/93/39/20/804933920.db2.gz HOXHTYSTJLQYNY-UHFFFAOYSA-N 1 1 281.403 3.354 20 30 CGEDMO C[N@@H+](Cc1cncc(C#N)c1)Cc1cccc2cccnc21 ZINC001144079588 804934003 /nfs/dbraw/zinc/93/40/03/804934003.db2.gz VUYSDGNJHTUQHC-UHFFFAOYSA-N 1 1 288.354 3.133 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CC[C@@]2(C1)CCCCO2 ZINC001248748314 804982429 /nfs/dbraw/zinc/98/24/29/804982429.db2.gz FMAAQAUUJCMDMH-GOSISDBHSA-N 1 1 284.403 3.266 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@@H+]1CCc2nc(C)sc2C1 ZINC001248751882 804983997 /nfs/dbraw/zinc/98/39/97/804983997.db2.gz NYISNTZYLIHQEJ-UHFFFAOYSA-N 1 1 297.427 3.444 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCc2nc(C)sc2C1 ZINC001248751882 804983999 /nfs/dbraw/zinc/98/39/99/804983999.db2.gz NYISNTZYLIHQEJ-UHFFFAOYSA-N 1 1 297.427 3.444 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCC2(CCC2)C1 ZINC001248751845 804984188 /nfs/dbraw/zinc/98/41/88/804984188.db2.gz MLZZRMAYINNCSO-UHFFFAOYSA-N 1 1 254.377 3.497 20 30 CGEDMO Cc1nc(C[N@@H+]2CCC[C@H](CC#N)C2)ccc1Cl ZINC001248878277 805031620 /nfs/dbraw/zinc/03/16/20/805031620.db2.gz QZFMTDOVJLGVPR-GFCCVEGCSA-N 1 1 263.772 3.169 20 30 CGEDMO Cc1nc(C[N@H+]2CCC[C@H](CC#N)C2)ccc1Cl ZINC001248878277 805031629 /nfs/dbraw/zinc/03/16/29/805031629.db2.gz QZFMTDOVJLGVPR-GFCCVEGCSA-N 1 1 263.772 3.169 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cnn2ccc(Cl)nc12 ZINC001248881026 805031979 /nfs/dbraw/zinc/03/19/79/805031979.db2.gz SMHLGOANASMHFM-UHFFFAOYSA-N 1 1 278.787 3.171 20 30 CGEDMO CC[N@@H+](Cc1cnn2ccc(C#N)cc12)Cc1ccccc1 ZINC001249082241 805084623 /nfs/dbraw/zinc/08/46/23/805084623.db2.gz MAEOGJRZQVCXRT-UHFFFAOYSA-N 1 1 290.370 3.228 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)CCCCC)C2)C1 ZINC001147010182 805103233 /nfs/dbraw/zinc/10/32/33/805103233.db2.gz VNRZETOTJVIIOZ-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H](C)CCC)C2)C1 ZINC001147269173 805119518 /nfs/dbraw/zinc/11/95/18/805119518.db2.gz YWBHYUMBXIUTAQ-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO COCC[C@@H]1CCCC[N@H+]1Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249428877 805146446 /nfs/dbraw/zinc/14/64/46/805146446.db2.gz FNYSIJMDSCZAOK-KRWDZBQOSA-N 1 1 297.402 3.431 20 30 CGEDMO N#Cc1ccc2cc(C[N@H+]3CC[C@]4(C3)CCCOC4)[nH]c2c1 ZINC001249429756 805149118 /nfs/dbraw/zinc/14/91/18/805149118.db2.gz OLAKIGVESCRABZ-SFHVURJKSA-N 1 1 295.386 3.042 20 30 CGEDMO C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@H](C)C(CC)CC)C2)C1 ZINC001147830063 805153129 /nfs/dbraw/zinc/15/31/29/805153129.db2.gz PVRWUQPXLAHDTM-OAHLLOKOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCCC(=O)N1CC2(C1)CC[N@H+](CC/C=C\CC)C2 ZINC001148200055 805168019 /nfs/dbraw/zinc/16/80/19/805168019.db2.gz ZQTOUDLGUDWIDC-ALCCZGGFSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)[C@](C)(CC)CCC)C2)C1 ZINC001148493368 805190135 /nfs/dbraw/zinc/19/01/35/805190135.db2.gz VOIFCXDHHJNNJA-QGZVFWFLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C)[C@H](C)CC)C2)C1 ZINC001148502258 805190808 /nfs/dbraw/zinc/19/08/08/805190808.db2.gz WXOOIEHEANJDRO-CVEARBPZSA-N 1 1 292.467 3.169 20 30 CGEDMO C[C@]1(F)CCC[N@@H+](Cc2cccc(C#N)c2F)CC1 ZINC001249671966 805209381 /nfs/dbraw/zinc/20/93/81/805209381.db2.gz HPHYXFMRELZDMG-HNNXBMFYSA-N 1 1 264.319 3.411 20 30 CGEDMO C=CC[N@@H+]1CCC2(CN(C(=O)[C@@H](CC)CCCCC)C2)C1 ZINC001148803951 805210887 /nfs/dbraw/zinc/21/08/87/805210887.db2.gz MCSVXBZSKQYFQK-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO Cc1cc(Nc2cccc(Cl)c2C#N)c[nH+]c1N ZINC001249790301 805247980 /nfs/dbraw/zinc/24/79/80/805247980.db2.gz HVZAVRJPTQSFRD-UHFFFAOYSA-N 1 1 258.712 3.241 20 30 CGEDMO Cc1cc(C)c(Nc2c[nH+]c(N)c(C)c2)cc1C#N ZINC001249794720 805251794 /nfs/dbraw/zinc/25/17/94/805251794.db2.gz XGSCAHZNFHNDSV-UHFFFAOYSA-N 1 1 252.321 3.204 20 30 CGEDMO C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)C1CCC1 ZINC001151516739 805294310 /nfs/dbraw/zinc/29/43/10/805294310.db2.gz OVLZNAGOQWMORW-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)/C=C/c1ccco1 ZINC001151597512 805299259 /nfs/dbraw/zinc/29/92/59/805299259.db2.gz MFOWGBZBVCWTRM-XVJNWHFHSA-N 1 1 290.407 3.086 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)CCC1CCCC1 ZINC001151648566 805304669 /nfs/dbraw/zinc/30/46/69/805304669.db2.gz PIWHOHCJJKVCCZ-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(Cl)o1 ZINC001151880525 805319611 /nfs/dbraw/zinc/31/96/11/805319611.db2.gz XFKONZDTLDQPOW-GFCCVEGCSA-N 1 1 298.814 3.339 20 30 CGEDMO CN(C)c1cc(F)cc(C[N@H+]2CCC[C@@H](C#N)CC2)c1 ZINC001249955607 805324550 /nfs/dbraw/zinc/32/45/50/805324550.db2.gz OUNYJGWTNGCDLB-CYBMUJFWSA-N 1 1 275.371 3.017 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)C(CC)CC ZINC001151986613 805328082 /nfs/dbraw/zinc/32/80/82/805328082.db2.gz JWRFWAWISHNMKZ-CQSZACIVSA-N 1 1 268.445 3.215 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](CC)CCCC ZINC001152019201 805332696 /nfs/dbraw/zinc/33/26/96/805332696.db2.gz MOGPQAYLQHCGRW-HZPDHXFCSA-N 1 1 280.456 3.053 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)CC ZINC001153007133 805379029 /nfs/dbraw/zinc/37/90/29/805379029.db2.gz MXWRMYKYFBZDFQ-HUUCEWRRSA-N 1 1 268.445 3.215 20 30 CGEDMO CC[N@@H+](CCCC1CCC1)[C@H](C)CNC(=O)C#CC(C)C ZINC001153207401 805387862 /nfs/dbraw/zinc/38/78/62/805387862.db2.gz IDHVZJMTEFOSTE-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(OC)cc1OCC ZINC001250063140 805398790 /nfs/dbraw/zinc/39/87/90/805398790.db2.gz SHBQFAGVXGIDIE-UHFFFAOYSA-N 1 1 263.381 3.492 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1cccc(C)c1F ZINC001153491245 805399117 /nfs/dbraw/zinc/39/91/17/805399117.db2.gz KGVMCRFFCJBSKI-CQSZACIVSA-N 1 1 292.398 3.150 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)CNC(=O)CCCC[C@H](C)CC ZINC001153569968 805403056 /nfs/dbraw/zinc/40/30/56/805403056.db2.gz FULFCRMJLHWFBO-HZPDHXFCSA-N 1 1 280.456 3.053 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H](C)[N@@H+](CC)CCC(=C)C ZINC001153609006 805407160 /nfs/dbraw/zinc/40/71/60/805407160.db2.gz SYDODVGICAAJJB-OAHLLOKOSA-N 1 1 280.456 3.382 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)C1C=CC=CC=C1 ZINC001153636312 805409972 /nfs/dbraw/zinc/40/99/72/805409972.db2.gz MWYJXRRRXAETTC-MRXNPFEDSA-N 1 1 288.435 3.078 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC001154436870 805456266 /nfs/dbraw/zinc/45/62/66/805456266.db2.gz RZKNQTTYFBACPF-XLMAVXFVSA-N 1 1 292.467 3.215 20 30 CGEDMO C#Cc1ccc(C(=O)NC[C@@H](C)[N@@H+](CC)CCCC=C)cc1 ZINC001154576668 805463426 /nfs/dbraw/zinc/46/34/26/805463426.db2.gz CCSXIGUSMYFVHX-MRXNPFEDSA-N 1 1 298.430 3.074 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)C[C@@H](F)CC ZINC001154584793 805464570 /nfs/dbraw/zinc/46/45/70/805464570.db2.gz YHGCQBGRUZYNIO-KGLIPLIRSA-N 1 1 286.435 3.163 20 30 CGEDMO C#CCCCCCC(=O)NC[C@@H](C)[N@@H+](CC)CCC1CC1 ZINC001154609783 805467065 /nfs/dbraw/zinc/46/70/65/805467065.db2.gz ZFRYANYQPOBTTK-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1ccc2[nH]ccc2c1 ZINC001154932667 805509878 /nfs/dbraw/zinc/50/98/78/805509878.db2.gz PDSYKJKGCHDNEB-CQSZACIVSA-N 1 1 299.418 3.184 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)c1occc1CC ZINC001155061639 805531696 /nfs/dbraw/zinc/53/16/96/805531696.db2.gz ACQHIUOMVWKTED-CQSZACIVSA-N 1 1 292.423 3.248 20 30 CGEDMO C=C(C)c1ccc(NCC[C@@H]2CCC[N@H+](C)C2)nc1 ZINC001165272315 806983404 /nfs/dbraw/zinc/98/34/04/806983404.db2.gz HAGONZRXRVSLCF-AWEZNQCLSA-N 1 1 259.397 3.259 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H](C)[N@@H+](CC)CCC(C)C)C1 ZINC001155126675 805542683 /nfs/dbraw/zinc/54/26/83/805542683.db2.gz PYFDJCRGOSUGEJ-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)C(C)(F)F ZINC001155306968 805571624 /nfs/dbraw/zinc/57/16/24/805571624.db2.gz RGEHRTNQTYTCDE-OLZOCXBDSA-N 1 1 290.398 3.071 20 30 CGEDMO Cc1cc[nH+]c(C)c1Nc1ccc(OCC#N)cc1 ZINC001212605998 815083666 /nfs/dbraw/zinc/08/36/66/815083666.db2.gz HAWWVWSVQJJLPV-UHFFFAOYSA-N 1 1 253.305 3.344 20 30 CGEDMO C[C@H]1C[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)CC[C@H]1O ZINC001257016688 807027362 /nfs/dbraw/zinc/02/73/62/807027362.db2.gz HRHCWKUFTYLWKH-VKDMSYRKSA-N 1 1 298.430 3.287 20 30 CGEDMO CC[N@@H+](C1COC1)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257018682 807028908 /nfs/dbraw/zinc/02/89/08/807028908.db2.gz BBPHANHMICTYGS-UHFFFAOYSA-N 1 1 284.403 3.305 20 30 CGEDMO C=CC[N@H+]([C@@H]1CC[C@@H](C(=O)OCC)C1)C(C)(C)C ZINC001257067452 807041103 /nfs/dbraw/zinc/04/11/03/807041103.db2.gz FLOFLAHFUKKRPB-CHWSQXEVSA-N 1 1 253.386 3.005 20 30 CGEDMO Cn1c[nH+]c2cccc(Nc3ccc(OCC#N)cc3)c21 ZINC001212611449 815085675 /nfs/dbraw/zinc/08/56/75/815085675.db2.gz WFYMWZQWRMIFRK-UHFFFAOYSA-N 1 1 278.315 3.219 20 30 CGEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](C(CC)CC)C2 ZINC001257296675 807091714 /nfs/dbraw/zinc/09/17/14/807091714.db2.gz LVPCGNZBYRNTEX-IAGOWNOFSA-N 1 1 281.440 3.249 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@H+]([C@@H](CC)CCCC)C2)C1=O ZINC001257421175 807147213 /nfs/dbraw/zinc/14/72/13/807147213.db2.gz UFRCGGHOBMWWCN-WMZOPIPTSA-N 1 1 292.467 3.456 20 30 CGEDMO C#CC[N@H+](C[C@@H]1CCCC[C@H]1C(=O)OC)C1CCCCC1 ZINC001167274113 807174719 /nfs/dbraw/zinc/17/47/19/807174719.db2.gz YJQUJYAWIDOHOS-DOTOQJQBSA-N 1 1 291.435 3.234 20 30 CGEDMO C#CCOCC[N@H+](CCCC)Cc1ccccc1F ZINC001167294197 807177394 /nfs/dbraw/zinc/17/73/94/807177394.db2.gz IYRLOGUGKOCEJF-UHFFFAOYSA-N 1 1 263.356 3.078 20 30 CGEDMO C[C@H](Cc1ccc(Br)cc1)[N@H+](C)CCC#N ZINC001257561906 807198910 /nfs/dbraw/zinc/19/89/10/807198910.db2.gz VRTFGDRTJBQBOR-LLVKDONJSA-N 1 1 281.197 3.226 20 30 CGEDMO C[C@H](Cc1ccc(Br)cc1)[N@@H+](C)CCC#N ZINC001257561906 807198913 /nfs/dbraw/zinc/19/89/13/807198913.db2.gz VRTFGDRTJBQBOR-LLVKDONJSA-N 1 1 281.197 3.226 20 30 CGEDMO C#CC[N@H+](CC)C[C@H]1CCC[C@H](c2ccccc2)O1 ZINC001167578055 807208221 /nfs/dbraw/zinc/20/82/21/807208221.db2.gz WXXZOHNXFIXXDF-IAGOWNOFSA-N 1 1 257.377 3.252 20 30 CGEDMO C=C1C[C@@H]2CC([NH2+][C@H](C(=O)OCC)C(C)C)C[C@H](C1)C2 ZINC001257888447 807240205 /nfs/dbraw/zinc/24/02/05/807240205.db2.gz NGEYLRNINOJXFN-QXULXFAOSA-N 1 1 279.424 3.299 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CC[C@H](Oc4cnccn4)C3)C[C@H](C1)C2 ZINC001257894500 807243944 /nfs/dbraw/zinc/24/39/44/807243944.db2.gz XOJCHAVNPLHJHT-WFVVYAPDSA-N 1 1 299.418 3.065 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCC[C@@]4(CCO4)C3)C[C@H](C1)C2 ZINC001257895699 807244772 /nfs/dbraw/zinc/24/47/72/807244772.db2.gz YNJOQHNIUDEBIY-FCLJQHQZSA-N 1 1 261.409 3.376 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CCO[C@@H](C(F)(F)F)C3)C[C@H](C1)C2 ZINC001257895594 807244842 /nfs/dbraw/zinc/24/48/42/807244842.db2.gz UXVKRSTUKNFDFT-QNMSZWNNSA-N 1 1 289.341 3.384 20 30 CGEDMO C=C1C[C@@H]2CC(N3CCC[C@H]4C[N@H+](C)C[C@H]43)C[C@H](C1)C2 ZINC001257895529 807245552 /nfs/dbraw/zinc/24/55/52/807245552.db2.gz SLSURXDQFMOHMU-GFHHTVLPSA-N 1 1 274.452 3.147 20 30 CGEDMO Cc1[nH+]c(N)ccc1CNc1cc(Cl)ccc1CC#N ZINC001167787932 807251899 /nfs/dbraw/zinc/25/18/99/807251899.db2.gz LCKKFAVXSDUUKM-UHFFFAOYSA-N 1 1 286.766 3.304 20 30 CGEDMO CCCCCCC[C@@H](C)[NH2+]Cc1nnc(C(=O)OCC)o1 ZINC001258042156 807272079 /nfs/dbraw/zinc/27/20/79/807272079.db2.gz IFXRIGBLPNAPBH-GFCCVEGCSA-N 1 1 297.399 3.085 20 30 CGEDMO CCCCCCC[C@@H](C)[NH2+]C1(C(=O)OCC)CCOCC1 ZINC001258042085 807272646 /nfs/dbraw/zinc/27/26/46/807272646.db2.gz GMBGRFPAHJPZJS-OAHLLOKOSA-N 1 1 299.455 3.437 20 30 CGEDMO CCCCCCC[C@H](C)[N@@H+]1CCO[C@H](C(C)=O)C1 ZINC001258051216 807277139 /nfs/dbraw/zinc/27/71/39/807277139.db2.gz CJEKWYHEOHBOHV-ZFWWWQNUSA-N 1 1 255.402 3.025 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CCO[C@H](C(C)=O)C1 ZINC001258051216 807277141 /nfs/dbraw/zinc/27/71/41/807277141.db2.gz CJEKWYHEOHBOHV-ZFWWWQNUSA-N 1 1 255.402 3.025 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC001258045131 807274166 /nfs/dbraw/zinc/27/41/66/807274166.db2.gz WYASPPBSIIPGRH-CVEARBPZSA-N 1 1 269.429 3.227 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C ZINC001258048361 807275027 /nfs/dbraw/zinc/27/50/27/807275027.db2.gz UCKQLRPDONOZCE-BZUAXINKSA-N 1 1 280.456 3.431 20 30 CGEDMO CCCCCCC[C@@H](C)[N@@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC001258050752 807276646 /nfs/dbraw/zinc/27/66/46/807276646.db2.gz XQNYVXJLZHHSTR-KBXIAJHMSA-N 1 1 267.413 3.086 20 30 CGEDMO CCCCN(CC#N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995013 807294946 /nfs/dbraw/zinc/29/49/46/807294946.db2.gz UCWSAAYVFSPOQL-SJPCQFCGSA-N 1 1 275.440 3.017 20 30 CGEDMO CCCC[N@@H+](CCC#N)[C@@H](C)CCCC(=O)OCC ZINC001258127965 807316852 /nfs/dbraw/zinc/31/68/52/807316852.db2.gz XTYWAJCDVSAZGB-AWEZNQCLSA-N 1 1 268.401 3.124 20 30 CGEDMO CCCCCCCCC[C@H](C)[N@H+]1CCOC[C@H](O)C1 ZINC001258228234 807376695 /nfs/dbraw/zinc/37/66/95/807376695.db2.gz FDBHMJCNWAWMSJ-JKSUJKDBSA-N 1 1 271.445 3.209 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCC[C@](C)(C(=O)OCC)C1 ZINC001258725803 807573943 /nfs/dbraw/zinc/57/39/43/807573943.db2.gz NFFYBLXLUSQKFB-ZBFHGGJFSA-N 1 1 267.413 3.396 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1Cc2nn(CC)cc2[C@H](COCC)C1 ZINC001258728903 807575969 /nfs/dbraw/zinc/57/59/69/807575969.db2.gz RIRPGYLLJKZTNI-GJZGRUSLSA-N 1 1 291.439 3.193 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]2OCCC[C@]2(COCC=C)C1 ZINC001258729848 807576131 /nfs/dbraw/zinc/57/61/31/807576131.db2.gz ZCUDSSDVOLIQNH-RCCFBDPRSA-N 1 1 293.451 3.415 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC001258730770 807577376 /nfs/dbraw/zinc/57/73/76/807577376.db2.gz NPTQTMRXRFCCOU-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCC[C@H]1CN1CCCC1 ZINC001258731296 807577697 /nfs/dbraw/zinc/57/76/97/807577697.db2.gz WEPRSANHZZHXEV-CVEARBPZSA-N 1 1 250.430 3.291 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC001258733234 807579464 /nfs/dbraw/zinc/57/94/64/807579464.db2.gz WYRAVPQSOGVUNK-GFCCVEGCSA-N 1 1 257.381 3.067 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001258733356 807579776 /nfs/dbraw/zinc/57/97/76/807579776.db2.gz ZUFCLQKASFBRAC-MCIONIFRSA-N 1 1 282.428 3.186 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)OC(C)(C)C ZINC001258734415 807580560 /nfs/dbraw/zinc/58/05/60/807580560.db2.gz XMLHKOBICOVEQA-ZDUSSCGKSA-N 1 1 270.417 3.188 20 30 CGEDMO C=CCOC(=O)[C@@H]([NH2+][C@H]1CCC[C@@H](C)C1)[C@@H](C)CC ZINC001258809389 807628201 /nfs/dbraw/zinc/62/82/01/807628201.db2.gz YCSDKBQWQWMDSD-QPSCCSFWSA-N 1 1 267.413 3.299 20 30 CGEDMO C=CCOC(=O)[C@@H]([NH2+][C@H]1CCC[C@H](C)C1)[C@@H](C)CC ZINC001258809387 807628437 /nfs/dbraw/zinc/62/84/37/807628437.db2.gz YCSDKBQWQWMDSD-AJNGGQMLSA-N 1 1 267.413 3.299 20 30 CGEDMO COc1ccccc1C[C@@H](C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC001258891870 807666509 /nfs/dbraw/zinc/66/65/09/807666509.db2.gz GNYHIMROJVJBBE-CABCVRRESA-N 1 1 272.392 3.252 20 30 CGEDMO CCCCCCCC[N@@H+](C)[C@@H]1CCCN(C(C)=O)C1 ZINC001169614895 807675252 /nfs/dbraw/zinc/67/52/52/807675252.db2.gz KNVRTQMQTPVRJZ-MRXNPFEDSA-N 1 1 268.445 3.290 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(C)=O)C1 ZINC001169616652 807675915 /nfs/dbraw/zinc/67/59/15/807675915.db2.gz LTEFHZRJNOAIKP-GOSISDBHSA-N 1 1 286.419 3.076 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCC)C1 ZINC001261255546 807721583 /nfs/dbraw/zinc/72/15/83/807721583.db2.gz SZLBYWVOCIHRPJ-SJORKVTESA-N 1 1 292.467 3.456 20 30 CGEDMO Cc1cc2[nH+]ccn2cc1NC1=CC(=O)CC(C)(C)C1 ZINC001169951547 807728133 /nfs/dbraw/zinc/72/81/33/807728133.db2.gz LCPRHWLFLXVNPT-UHFFFAOYSA-N 1 1 269.348 3.328 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1NC1=CC(=O)CC(C)(C)C1 ZINC001169951872 807729325 /nfs/dbraw/zinc/72/93/25/807729325.db2.gz QWFXTQJXEQJNGW-UHFFFAOYSA-N 1 1 273.380 3.141 20 30 CGEDMO C=CCC[NH+]1CCN(C(=O)c2scc(C)c2Cl)CC1 ZINC001261283537 807731329 /nfs/dbraw/zinc/73/13/29/807731329.db2.gz ZVDCOMXMWFRKIH-UHFFFAOYSA-N 1 1 298.839 3.044 20 30 CGEDMO C[C@@H]1CC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C[C@H]1O ZINC001170378705 807832412 /nfs/dbraw/zinc/83/24/12/807832412.db2.gz ISNPPRWJAKCTFA-ZTRSQXPZSA-N 1 1 298.430 3.093 20 30 CGEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCCC[C@@H](O)C2)CC1 ZINC001170378735 807833117 /nfs/dbraw/zinc/83/31/17/807833117.db2.gz JRFBGCVIYKJUQJ-JLAWEPINSA-N 1 1 298.430 3.237 20 30 CGEDMO COC[C@@H]1CC[N@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170397895 807834646 /nfs/dbraw/zinc/83/46/46/807834646.db2.gz ICCQNQVFYBQTFQ-ADKAHSJRSA-N 1 1 284.403 3.111 20 30 CGEDMO C=CC[C@H]([NH2+][C@H](CC)CCCCCC)C(=O)OC ZINC001170586112 807860220 /nfs/dbraw/zinc/86/02/20/807860220.db2.gz IANPNBKQCVXXES-KGLIPLIRSA-N 1 1 255.402 3.443 20 30 CGEDMO C=CCC[C@H]1CCCN1c1nc(N2CCCC2)cc[nH+]1 ZINC001262711709 807900152 /nfs/dbraw/zinc/90/01/52/807900152.db2.gz FUADLKGAQKZCAP-AWEZNQCLSA-N 1 1 272.396 3.012 20 30 CGEDMO N#C[C@H]1CC[N@@H+]([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170935960 807939097 /nfs/dbraw/zinc/93/90/97/807939097.db2.gz WEJSOOFDIHPGFR-DGCLKSJQSA-N 1 1 260.768 3.043 20 30 CGEDMO N#C[C@H]1CC[N@H+]([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170935960 807939099 /nfs/dbraw/zinc/93/90/99/807939099.db2.gz WEJSOOFDIHPGFR-DGCLKSJQSA-N 1 1 260.768 3.043 20 30 CGEDMO CC[N@H+]1CCCN(Cc2cc(Cl)cc(C#N)c2)[C@H](C)C1 ZINC001170996855 807953627 /nfs/dbraw/zinc/95/36/27/807953627.db2.gz CUJJITCUAXKGLT-CYBMUJFWSA-N 1 1 291.826 3.128 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)C[C@H]1CC1(C)C ZINC001171223265 808012665 /nfs/dbraw/zinc/01/26/65/808012665.db2.gz LQGJFHJGSPDBBZ-XJKSGUPXSA-N 1 1 256.393 3.467 20 30 CGEDMO COC(C)(C)[C@@H]1CCC[N@H+]1[C@H](C)Cc1cccc(C#N)c1 ZINC001171224543 808012992 /nfs/dbraw/zinc/01/29/92/808012992.db2.gz SYGOUNAPZGUXQL-PBHICJAKSA-N 1 1 286.419 3.379 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@H](C)Cc1cccc(C#N)c1 ZINC001171221778 808013064 /nfs/dbraw/zinc/01/30/64/808013064.db2.gz UPZOCGFJHWFMDW-CQSZACIVSA-N 1 1 255.365 3.115 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCc2cccc(O)c2C1 ZINC001171230241 808014071 /nfs/dbraw/zinc/01/40/71/808014071.db2.gz UFCSRAMRHYXGGA-CQSZACIVSA-N 1 1 292.382 3.253 20 30 CGEDMO CC(C)[N@@H+](CCCCCO)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171230141 808014405 /nfs/dbraw/zinc/01/44/05/808014405.db2.gz BCIBDIBEAHEMGR-INIZCTEOSA-N 1 1 288.435 3.362 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)SC)[C@H]1CC ZINC001264049028 808031635 /nfs/dbraw/zinc/03/16/35/808031635.db2.gz LBKJIQJNRQGYAT-RRFJBIMHSA-N 1 1 298.496 3.063 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)CC(C)=C(C)C)[C@H]1C ZINC001264714965 808087253 /nfs/dbraw/zinc/08/72/53/808087253.db2.gz HFIFTKVYHOHSDN-CVEARBPZSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC=CCC1 ZINC001264738185 808088979 /nfs/dbraw/zinc/08/89/79/808088979.db2.gz SWDBIVCIFBQXBC-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)/C=C(\C)CC ZINC001264740247 808089116 /nfs/dbraw/zinc/08/91/16/808089116.db2.gz KRIXKZBGKCKRTO-MDJJKAFGSA-N 1 1 278.440 3.232 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H](CCC)CC(C)C)C1 ZINC001265235090 808122060 /nfs/dbraw/zinc/12/20/60/808122060.db2.gz IFCDBQWDLSMKEF-SJORKVTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@H+](CC/C=C\CC)C1 ZINC001265306088 808128363 /nfs/dbraw/zinc/12/83/63/808128363.db2.gz JIUWVHYIOWJEIM-LZNQSLFOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](CCCC(C)(C)C)C2)C1 ZINC001265303855 808128469 /nfs/dbraw/zinc/12/84/69/808128469.db2.gz QOAZPIRSKACWCQ-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCN(CCC#N)[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171763730 808133333 /nfs/dbraw/zinc/13/33/33/808133333.db2.gz QGYNIFSZIWSKJL-FUHWJXTLSA-N 1 1 285.435 3.275 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]2C[N@@H+](CC=C(C)C)CC[C@H]21 ZINC001265523448 808150482 /nfs/dbraw/zinc/15/04/82/808150482.db2.gz LDNUOACHCHXLEE-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO CC1(C)C[C@@H](N2CC[C@@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC001171987735 808165152 /nfs/dbraw/zinc/16/51/52/808165152.db2.gz IMLJVFWFDDDMRF-ROUUACIJSA-N 1 1 297.446 3.275 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CC2=CCCCC2)C1 ZINC001265700709 808170030 /nfs/dbraw/zinc/17/00/30/808170030.db2.gz UWWMUMQIGGLOCO-DOTOQJQBSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CC2(C)CCCC2)C1 ZINC001265702423 808170696 /nfs/dbraw/zinc/17/06/96/808170696.db2.gz DHEBPARISHUPBH-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO N#CCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172074056 808170847 /nfs/dbraw/zinc/17/08/47/808170847.db2.gz TVWBDBSUMJHMAP-LDLYASANSA-N 1 1 297.446 3.465 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCCNC(=O)c1ccc(F)cc1C ZINC001265956725 808196513 /nfs/dbraw/zinc/19/65/13/808196513.db2.gz ZDFHIEDLRFIHEA-UHFFFAOYSA-N 1 1 292.398 3.152 20 30 CGEDMO C=CCC1(C(=O)NCCC[N@H+](C)C/C=C\Cl)CCCC1 ZINC001265985522 808199237 /nfs/dbraw/zinc/19/92/37/808199237.db2.gz HKKSECHFIHDDAB-WDZFZDKYSA-N 1 1 298.858 3.314 20 30 CGEDMO C=CC[N@@H+](CC)CCCNC(=O)c1cscc1Cl ZINC001266051532 808205702 /nfs/dbraw/zinc/20/57/02/808205702.db2.gz SDGGJKZYPWSTCB-UHFFFAOYSA-N 1 1 286.828 3.029 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)CC2CCCC2)C1 ZINC001266090391 808209249 /nfs/dbraw/zinc/20/92/49/808209249.db2.gz JQPREMJRNRMOST-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCC[C@H]([N@@H+](C)CC(=C)C)C1 ZINC001266102217 808210775 /nfs/dbraw/zinc/21/07/75/808210775.db2.gz FMHVTVVADYCSIG-KRWDZBQOSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@]2(C)CC=CCC2)C1 ZINC001266100175 808211923 /nfs/dbraw/zinc/21/19/23/808211923.db2.gz TZSSYDGCTXUTFE-AEFFLSMTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]([N@H+](C)C[C@H](F)CC)C1 ZINC001266110175 808212384 /nfs/dbraw/zinc/21/23/84/808212384.db2.gz CBEDNGVQTHDTLJ-CABCVRRESA-N 1 1 284.419 3.014 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]([N@H+](C)C[C@@H](F)CC)C1 ZINC001266110176 808213074 /nfs/dbraw/zinc/21/30/74/808213074.db2.gz CBEDNGVQTHDTLJ-GJZGRUSLSA-N 1 1 284.419 3.014 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172304819 808222134 /nfs/dbraw/zinc/22/21/34/808222134.db2.gz AHDJBISGTAYHPM-AWEZNQCLSA-N 1 1 255.365 3.115 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)c1cc(C)c(C)s1)C1CC1 ZINC001266171728 808222692 /nfs/dbraw/zinc/22/26/92/808222692.db2.gz JCRFJDRKDAOTKQ-UHFFFAOYSA-N 1 1 292.448 3.135 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H]1c1ncccn1 ZINC001172317062 808226347 /nfs/dbraw/zinc/22/63/47/808226347.db2.gz PFPWSIDSYZCFTC-RHSMWYFYSA-N 1 1 292.386 3.116 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)/C=C(\C)C2CC2)C1 ZINC001266205770 808226411 /nfs/dbraw/zinc/22/64/11/808226411.db2.gz QJKFIMACYPZDSP-DVINNUGASA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)/C=C(/C)C2CC2)C1 ZINC001266205773 808226813 /nfs/dbraw/zinc/22/68/13/808226813.db2.gz QJKFIMACYPZDSP-NPCRWQHWSA-N 1 1 290.451 3.278 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H](F)CC1 ZINC001172316737 808227213 /nfs/dbraw/zinc/22/72/13/808227213.db2.gz WQUOISRDTVWEST-BBRMVZONSA-N 1 1 260.356 3.313 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)c1ccc(C)s1 ZINC001266198322 808227323 /nfs/dbraw/zinc/22/73/23/808227323.db2.gz DPOZVMJESDZANI-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)CSC(C)C ZINC001266201414 808227381 /nfs/dbraw/zinc/22/73/81/808227381.db2.gz JAOMKUMSFCZFTB-OAHLLOKOSA-N 1 1 298.496 3.065 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H](CC)CC(C)C ZINC001266240888 808231201 /nfs/dbraw/zinc/23/12/01/808231201.db2.gz FNWDFQSXXVZUGR-SJORKVTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CCC[N@@H+](CC3CCC3)C2)CCC1 ZINC001266237458 808231983 /nfs/dbraw/zinc/23/19/83/808231983.db2.gz WSLINEILJOZLNI-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+](C)CCNC(=O)c1cc(C(C)(C)C)oc1C ZINC001266329600 808242908 /nfs/dbraw/zinc/24/29/08/808242908.db2.gz ANAYXUHLZNAEPZ-UHFFFAOYSA-N 1 1 292.423 3.123 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCNC(=O)c1ccc2ccccc2c1 ZINC001266352168 808248110 /nfs/dbraw/zinc/24/81/10/808248110.db2.gz OTXRXRKLZLWFTJ-UHFFFAOYSA-N 1 1 296.414 3.468 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CCCN(C)C(=O)C1 ZINC001172355691 808251247 /nfs/dbraw/zinc/25/12/47/808251247.db2.gz QZUISTWFRLNBNL-OAHLLOKOSA-N 1 1 268.445 3.290 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CCO[C@@H](CC(=O)OC)C1 ZINC001172354777 808251439 /nfs/dbraw/zinc/25/14/39/808251439.db2.gz KREYXPNDSWLXPN-CVEARBPZSA-N 1 1 299.455 3.389 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)c1sccc1C ZINC001266371932 808251992 /nfs/dbraw/zinc/25/19/92/808251992.db2.gz MMWGXMWWCGFTHW-AWEZNQCLSA-N 1 1 294.464 3.463 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@@](C)(CO)[C@H](O)C1 ZINC001172357916 808252516 /nfs/dbraw/zinc/25/25/16/808252516.db2.gz MZEQDTGBVWUXCA-BBWFWOEESA-N 1 1 285.472 3.191 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)c2sccc2C)C1 ZINC001266447934 808265460 /nfs/dbraw/zinc/26/54/60/808265460.db2.gz CVJIHDZIDKYQIQ-CQSZACIVSA-N 1 1 292.448 3.027 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H]1CCC[N@H+]1CCC(C)(C)C ZINC001266464754 808270883 /nfs/dbraw/zinc/27/08/83/808270883.db2.gz HZXSBBMFDCNHCF-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)C1(CC(C)C)CCC1 ZINC001266471384 808272288 /nfs/dbraw/zinc/27/22/88/808272288.db2.gz NUJXHEUFABYIAG-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H]2CCC[N@@H+]2CC/C=C\CC)C1 ZINC001266482572 808273474 /nfs/dbraw/zinc/27/34/74/808273474.db2.gz DPFMWDDLCALUOC-KJPDOMRESA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)C1CCC(=C)CC1 ZINC001266571405 808289077 /nfs/dbraw/zinc/28/90/77/808289077.db2.gz SETKVECVQXGILQ-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCC1(C(=O)NCC[N@H+](CC(C)C)C2CC2)CCCC1 ZINC001266621399 808298045 /nfs/dbraw/zinc/29/80/45/808298045.db2.gz CMLPOCPDPNIXIE-UHFFFAOYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]2C[N@@H+](CC3CC3)CC[C@@H]21 ZINC001266659910 808303028 /nfs/dbraw/zinc/30/30/28/808303028.db2.gz RZWXYNUANZDYCP-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1CCCC[N@@H+]1C/C=C/Cl ZINC001266849915 808323353 /nfs/dbraw/zinc/32/33/53/808323353.db2.gz PNWXTFADCLKOLM-RCQQVGEISA-N 1 1 298.858 3.312 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1CCCC[N@H+]1C/C=C/Cl ZINC001266849915 808323360 /nfs/dbraw/zinc/32/33/60/808323360.db2.gz PNWXTFADCLKOLM-RCQQVGEISA-N 1 1 298.858 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](CC)CCC ZINC001266857573 808325632 /nfs/dbraw/zinc/32/56/32/808325632.db2.gz NGAJKOZZMXGAMW-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCCC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001266895675 808332956 /nfs/dbraw/zinc/33/29/56/808332956.db2.gz RFNACRFWSCLCJW-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C[C@H](CCCC#N)[NH+]1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001172499789 808354844 /nfs/dbraw/zinc/35/48/44/808354844.db2.gz ADGFXEQADMWAPD-NEWSRXKRSA-N 1 1 297.446 3.133 20 30 CGEDMO CC[N@@H+](CCN(C)C(=O)OC(C)(C)C)[C@H](C)CCCC#N ZINC001172498637 808355632 /nfs/dbraw/zinc/35/56/32/808355632.db2.gz OWIWHMVXYWDNFK-CQSZACIVSA-N 1 1 297.443 3.258 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC001172498684 808355955 /nfs/dbraw/zinc/35/59/55/808355955.db2.gz PYOOBYGLXJWLAE-RDJZCZTQSA-N 1 1 272.392 3.012 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)/C(C)=C\CC)C1 ZINC001267102281 808357480 /nfs/dbraw/zinc/35/74/80/808357480.db2.gz ZJFGFSBBGWPIOU-MVMZHWFQSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)C/C=C(\C)C=C)C1 ZINC001267107920 808359521 /nfs/dbraw/zinc/35/95/21/808359521.db2.gz IVQNYFMGVUHIJR-ABPVARSCSA-N 1 1 290.451 3.398 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001172503644 808359583 /nfs/dbraw/zinc/35/95/83/808359583.db2.gz BGDXWQMLZOXPNY-CJNGLKHVSA-N 1 1 276.355 3.361 20 30 CGEDMO C#CCCCCCC(=O)N1CCC[C@H]([N@H+](C)CC(C)C)C1 ZINC001267109277 808360681 /nfs/dbraw/zinc/36/06/81/808360681.db2.gz ULCBOMLERGFTEB-KRWDZBQOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)CCC2(C)CC2)C1 ZINC001267113604 808361709 /nfs/dbraw/zinc/36/17/09/808361709.db2.gz OJUNGAKKSRSHJI-AWEZNQCLSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)CCC2(C)CC2)C1 ZINC001267113604 808361719 /nfs/dbraw/zinc/36/17/19/808361719.db2.gz OJUNGAKKSRSHJI-AWEZNQCLSA-N 1 1 298.858 3.242 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001172507050 808361844 /nfs/dbraw/zinc/36/18/44/808361844.db2.gz ODQFXFRLUJEKTI-ZIAGYGMSSA-N 1 1 280.412 3.122 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC001172507047 808362865 /nfs/dbraw/zinc/36/28/65/808362865.db2.gz ODQFXFRLUJEKTI-KBPBESRZSA-N 1 1 280.412 3.122 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001172508224 808363995 /nfs/dbraw/zinc/36/39/95/808363995.db2.gz BUSGYUGADJDYKP-QAPCUYQASA-N 1 1 297.402 3.484 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCc2nc(Cl)ccc2C1 ZINC001172507808 808364624 /nfs/dbraw/zinc/36/46/24/808364624.db2.gz YRNWAGSNCGHNPS-LLVKDONJSA-N 1 1 263.772 3.175 20 30 CGEDMO CCCCCCC[C@H](CCC)[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC001172507795 808364959 /nfs/dbraw/zinc/36/49/59/808364959.db2.gz BQLSTANXXZOTIR-IKGGRYGDSA-N 1 1 285.472 3.191 20 30 CGEDMO Cc1cccnc1O[C@@H]1CCC[N@H+]([C@@H](C)CCCC#N)C1 ZINC001172509708 808365643 /nfs/dbraw/zinc/36/56/43/808365643.db2.gz OKOXVHBKEPKPJM-JKSUJKDBSA-N 1 1 287.407 3.316 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CCCNC(=O)/C=C(/C)CC ZINC001267164446 808372368 /nfs/dbraw/zinc/37/23/68/808372368.db2.gz JPPXEFBBZPHIFM-YARYAAFXSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCCCC(=O)NCC[N@H+](C)CC1CCC2(CC2)CC1 ZINC001267214159 808383817 /nfs/dbraw/zinc/38/38/17/808383817.db2.gz MULVOZUZVYEILM-UHFFFAOYSA-N 1 1 292.467 3.361 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H](CC)CCCC ZINC001267274852 808402034 /nfs/dbraw/zinc/40/20/34/808402034.db2.gz DACRMNYMRFFJQN-IAGOWNOFSA-N 1 1 292.467 3.197 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC2(C)C)C1 ZINC001267291270 808405979 /nfs/dbraw/zinc/40/59/79/808405979.db2.gz CGXVNSQHGGCRJC-JKSUJKDBSA-N 1 1 294.483 3.441 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](CNC(=O)CCCC2CCCCC2)C1 ZINC001267305388 808408405 /nfs/dbraw/zinc/40/84/05/808408405.db2.gz KVQXBWKIZQDIPJ-KRWDZBQOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001267305832 808408662 /nfs/dbraw/zinc/40/86/62/808408662.db2.gz CVZZVHLOOGUYTL-CABCVRRESA-N 1 1 280.456 3.073 20 30 CGEDMO CC#CC[N@@H+](CCC)CCNC(=O)C[C@@H](C)CC(C)(C)C ZINC001267318300 808414200 /nfs/dbraw/zinc/41/42/00/808414200.db2.gz WDDHODCNXUKLDJ-MRXNPFEDSA-N 1 1 294.483 3.300 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)C1C[C@H](C)C[C@@H](C)C1)C1CC1 ZINC001267337623 808416973 /nfs/dbraw/zinc/41/69/73/808416973.db2.gz CHSYPVAZLCXHGZ-HUUCEWRRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)c1ccc2[nH]ccc2c1)C(C)C ZINC001267507648 808434875 /nfs/dbraw/zinc/43/48/75/808434875.db2.gz LJKISNBMMQJQPB-UHFFFAOYSA-N 1 1 299.418 3.184 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)[C@H](C)c1cccs1)C(C)C ZINC001267508467 808436179 /nfs/dbraw/zinc/43/61/79/808436179.db2.gz BMJPQBSUNJADCJ-CQSZACIVSA-N 1 1 294.464 3.254 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)C1C[C@H](C)C[C@@H](C)C1)C(C)C ZINC001267512296 808437065 /nfs/dbraw/zinc/43/70/65/808437065.db2.gz GVVLEGCVUZTCNX-HZPDHXFCSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@](C)(F)CCCC)C1 ZINC001267585889 808453589 /nfs/dbraw/zinc/45/35/89/808453589.db2.gz FMLLZSRODUVSBR-RDJZCZTQSA-N 1 1 298.446 3.261 20 30 CGEDMO C=CC[N@H+](C)CC1CCN(C(=O)C(C)=C2CCCC2)CC1 ZINC001267598619 808455609 /nfs/dbraw/zinc/45/56/09/808455609.db2.gz KRBWGWFIDBDCEJ-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)CC(C)=C(C)C)C1 ZINC001267629064 808461171 /nfs/dbraw/zinc/46/11/71/808461171.db2.gz LLMZZAHVPRADRP-INIZCTEOSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@H]1CCN(C(=O)/C(C)=C/C)C1 ZINC001267638102 808462683 /nfs/dbraw/zinc/46/26/83/808462683.db2.gz JFTHDEZCIKJWLG-UMNNMYMZSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCCC[NH+]1CC(NC(=O)c2ccccc2C2CCC2)C1 ZINC001267667878 808468323 /nfs/dbraw/zinc/46/83/23/808468323.db2.gz ONUNQFUUCGRFBS-UHFFFAOYSA-N 1 1 298.430 3.334 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172911460 808476040 /nfs/dbraw/zinc/47/60/40/808476040.db2.gz CHJMZPRVNOLWEN-RDJZCZTQSA-N 1 1 299.374 3.078 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001267728515 808478526 /nfs/dbraw/zinc/47/85/26/808478526.db2.gz CKWNUWGIZCLXCL-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001267743494 808481597 /nfs/dbraw/zinc/48/15/97/808481597.db2.gz VKJIUZDOGSOIKA-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@H+](C)CC1CCN(C(=O)C2(CCC)CC2)CC1 ZINC001267746512 808483280 /nfs/dbraw/zinc/48/32/80/808483280.db2.gz YPFKYISLCWBMLT-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC(CC=C)C(=O)N(C)[C@@H]1CC[N@H+](CCCC)C1 ZINC001267763548 808486610 /nfs/dbraw/zinc/48/66/10/808486610.db2.gz NPXMXISWBZVCEM-MRXNPFEDSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CC(C)(C)C(=O)N(C)[C@@H]1CC[N@H+](CC/C=C\CCC)C1 ZINC001267768007 808487136 /nfs/dbraw/zinc/48/71/36/808487136.db2.gz LMAJOLQWNAMQMV-ZBTGYSDGSA-N 1 1 292.467 3.478 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCc2ncsc2C1 ZINC001173140446 808525439 /nfs/dbraw/zinc/52/54/39/808525439.db2.gz XYTDVKNHPUOXAB-CQSZACIVSA-N 1 1 283.400 3.004 20 30 CGEDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C#N)CC1 ZINC001173232378 808542935 /nfs/dbraw/zinc/54/29/35/808542935.db2.gz FTRYXTLITZPEFN-DZGCQCFKSA-N 1 1 287.363 3.151 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)c2cc(C)oc2C)C1 ZINC001268250196 808569501 /nfs/dbraw/zinc/56/95/01/808569501.db2.gz ZDZMONDLTILBHG-UHFFFAOYSA-N 1 1 292.423 3.281 20 30 CGEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H]1CC[C@@H](CC)C1)C2 ZINC001173276140 808579222 /nfs/dbraw/zinc/57/92/22/808579222.db2.gz BQIGYYJZBXWRMR-VSZNYVQBSA-N 1 1 293.451 3.391 20 30 CGEDMO CC[C@H]1CC[C@H]([NH+]2CC(Oc3ccccc3C#N)C2)C1 ZINC001173281578 808582791 /nfs/dbraw/zinc/58/27/91/808582791.db2.gz ACBCTQIHWYSFMO-ZFWWWQNUSA-N 1 1 270.376 3.200 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@H+]([C@@H]3CC[C@H](CC)C3)C2)C1=O ZINC001173284538 808585402 /nfs/dbraw/zinc/58/54/02/808585402.db2.gz ZYLSLWFSIJHCQS-JZXOWHBKSA-N 1 1 290.451 3.066 20 30 CGEDMO CC[C@H]1CC[C@H]([N@H+]2CCCN(c3ccc(C#N)cn3)CC2)C1 ZINC001173286140 808587258 /nfs/dbraw/zinc/58/72/58/808587258.db2.gz FBAAQWLNPUREER-RDJZCZTQSA-N 1 1 298.434 3.044 20 30 CGEDMO CCCCCCCC[C@@H](CCC)n1nnc(C[NH3+])n1 ZINC001173310682 808606182 /nfs/dbraw/zinc/60/61/82/808606182.db2.gz XVBAIQXFWJMDFW-CYBMUJFWSA-N 1 1 267.421 3.224 20 30 CGEDMO C=CCOC1CCC([N@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)CC1 ZINC001173319244 808610150 /nfs/dbraw/zinc/61/01/50/808610150.db2.gz BJXWCVIDNNJILP-BHUNQDJPSA-N 1 1 291.435 3.334 20 30 CGEDMO C=CCOC1CCC([N@H+]2CCc3ccc(C#N)cc3C2)CC1 ZINC001173321411 808611274 /nfs/dbraw/zinc/61/12/74/808611274.db2.gz KCTAQFHQQMTOBQ-UHFFFAOYSA-N 1 1 296.414 3.430 20 30 CGEDMO C=CCOC1CCC([N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OC)CC1 ZINC001173320363 808611348 /nfs/dbraw/zinc/61/13/48/808611348.db2.gz MKKMRZZMYPWIQV-ZTJXHEDMSA-N 1 1 293.451 3.247 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccsc1C ZINC001268729022 808617545 /nfs/dbraw/zinc/61/75/45/808617545.db2.gz BKZOMCSUKNONGG-LBPRGKRZSA-N 1 1 280.437 3.073 20 30 CGEDMO COCC[C@@H]1CCCC[N@H+]1C1CCC(CC#N)CC1 ZINC001173340037 808619586 /nfs/dbraw/zinc/61/95/86/808619586.db2.gz XKOUKBITMLDUEM-PCKAHOCUSA-N 1 1 264.413 3.350 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)c1cc2ccccc2[nH]1 ZINC001268757389 808625778 /nfs/dbraw/zinc/62/57/78/808625778.db2.gz SHYHQHMRMKJNBY-CQSZACIVSA-N 1 1 299.418 3.184 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)[C@H]1CCN(CC)C1 ZINC001173365731 808631249 /nfs/dbraw/zinc/63/12/49/808631249.db2.gz OMLGHWUWVXMCDU-KRWDZBQOSA-N 1 1 258.409 3.159 20 30 CGEDMO C=CCCN(Cc1ccccc1)[C@H]1CC[N@@H+](CC)C1 ZINC001173365731 808631255 /nfs/dbraw/zinc/63/12/55/808631255.db2.gz OMLGHWUWVXMCDU-KRWDZBQOSA-N 1 1 258.409 3.159 20 30 CGEDMO C=CCCN(Cc1ccccc1)[C@H]1CC[N@H+](CC)C1 ZINC001173365731 808631260 /nfs/dbraw/zinc/63/12/60/808631260.db2.gz OMLGHWUWVXMCDU-KRWDZBQOSA-N 1 1 258.409 3.159 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CCCC[C@@H]2CN2CCCC2)CC1 ZINC001173596013 808649506 /nfs/dbraw/zinc/64/95/06/808649506.db2.gz GLSBGIPRWPMHHX-LXPRWKDFSA-N 1 1 289.467 3.409 20 30 CGEDMO CC1(C#N)CCC(N2CCCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC001173596013 808649510 /nfs/dbraw/zinc/64/95/10/808649510.db2.gz GLSBGIPRWPMHHX-LXPRWKDFSA-N 1 1 289.467 3.409 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CCC[C@@H](Oc3cccnc3)C2)CC1 ZINC001173596299 808649930 /nfs/dbraw/zinc/64/99/30/808649930.db2.gz QXEBJHKYGKPMOO-IIIMJFFVSA-N 1 1 299.418 3.397 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001269134914 808650165 /nfs/dbraw/zinc/65/01/65/808650165.db2.gz VLBNRVKSYJWLHQ-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO COC(=O)c1cccc2c1C[N@H+](C1CCC(C)(C#N)CC1)C2 ZINC001173600291 808650959 /nfs/dbraw/zinc/65/09/59/808650959.db2.gz YHQGYQLFWMOIRC-UHFFFAOYSA-N 1 1 298.386 3.261 20 30 CGEDMO C[N@@H+](CC(=O)c1ccccc1)C1CCC(C)(C#N)CC1 ZINC001173598541 808651416 /nfs/dbraw/zinc/65/14/16/808651416.db2.gz QKUBUNHOODCNSQ-UHFFFAOYSA-N 1 1 270.376 3.274 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001269165894 808651583 /nfs/dbraw/zinc/65/15/83/808651583.db2.gz NTXZZJSSOLGTBP-QAPCUYQASA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]1CNC(=O)CC1=CCCCC1 ZINC001269211055 808655359 /nfs/dbraw/zinc/65/53/59/808655359.db2.gz QTIBYQNFGHIMMZ-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO CCCC[N@@H+](CCC#N)[C@H]1CC[C@@H](CC(=O)OCC)C1 ZINC001173642991 808658475 /nfs/dbraw/zinc/65/84/75/808658475.db2.gz GBPPCRRMFHAUKP-CABCVRRESA-N 1 1 280.412 3.124 20 30 CGEDMO C=C1CC=C(F)C=C1[NH2+][C@@H]1CC[C@@H](CC(=O)OCC)C1 ZINC001173651019 808659511 /nfs/dbraw/zinc/65/95/11/808659511.db2.gz JXOWNSYFPSITOB-TZMCWYRMSA-N 1 1 279.355 3.395 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001269287329 808666099 /nfs/dbraw/zinc/66/60/99/808666099.db2.gz HPWDJTCPIYGAQY-HZPDHXFCSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)/C=C\C(C)(C)C)C1 ZINC001269313286 808668127 /nfs/dbraw/zinc/66/81/27/808668127.db2.gz LGJXQRDYTKVMGD-LEJCZOIISA-N 1 1 298.858 3.264 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)/C=C\C(C)(C)C)C1 ZINC001269313286 808668131 /nfs/dbraw/zinc/66/81/31/808668131.db2.gz LGJXQRDYTKVMGD-LEJCZOIISA-N 1 1 298.858 3.264 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)CC(C)=C(C)C)C1 ZINC001269339666 808671165 /nfs/dbraw/zinc/67/11/65/808671165.db2.gz PTJMNOYGONKZMC-HNNXBMFYSA-N 1 1 298.858 3.408 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)CC(C)=C(C)C)C1 ZINC001269339666 808671167 /nfs/dbraw/zinc/67/11/67/808671167.db2.gz PTJMNOYGONKZMC-HNNXBMFYSA-N 1 1 298.858 3.408 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@@H]1[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001269558492 808689290 /nfs/dbraw/zinc/68/92/90/808689290.db2.gz YTERASACPSVNBE-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@]2(C1)CCC[N@H+](CC(C)C)C2 ZINC001269693318 808697414 /nfs/dbraw/zinc/69/74/14/808697414.db2.gz STNANQLWACSZLL-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)/C=C(/C)CC)C2)C1 ZINC001269686551 808697556 /nfs/dbraw/zinc/69/75/56/808697556.db2.gz PEZXYSMWGIRCGZ-QMJOVRGKSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)/C=C(\C)CC)C2)C1 ZINC001269693681 808697595 /nfs/dbraw/zinc/69/75/95/808697595.db2.gz XYVJCZYOKFPEIE-IYICPGQYSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCCCCC[NH+]1CC(N(C)C(=O)c2cocc2C)C1 ZINC001269831108 808705985 /nfs/dbraw/zinc/70/59/85/808705985.db2.gz DCQQKWSWRSWSJI-UHFFFAOYSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@]1(C)CC[N@@H+](CC2CCC2)C1 ZINC001270591447 808738620 /nfs/dbraw/zinc/73/86/20/808738620.db2.gz ZYDGUPDTMGAOJJ-SFHVURJKSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)C[C@@H](C)CCCCC)C1 ZINC001270631915 808739723 /nfs/dbraw/zinc/73/97/23/808739723.db2.gz GWTZJBJYCRRLSQ-RDJZCZTQSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)/C(C)=C\C)C1 ZINC001270950427 808756146 /nfs/dbraw/zinc/75/61/46/808756146.db2.gz SIPKDYGNEJYHHQ-MISIWFIQSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)CCC2CC2)C1 ZINC001270951448 808756389 /nfs/dbraw/zinc/75/63/89/808756389.db2.gz ZSZGPWHTJWGMLF-SFHVURJKSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)C1=CCCCCC1 ZINC001271998476 808792284 /nfs/dbraw/zinc/79/22/84/808792284.db2.gz QWQWTAAPPCIRSC-UHFFFAOYSA-N 1 1 278.440 3.233 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CC)CCC ZINC001272043176 808795020 /nfs/dbraw/zinc/79/50/20/808795020.db2.gz LGSODYNHPKRYDV-GVDBMIGSSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)c1sccc1C(C)C ZINC001272179065 808800528 /nfs/dbraw/zinc/80/05/28/808800528.db2.gz VWWFSEYSGWPOAD-UHFFFAOYSA-N 1 1 294.464 3.451 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC(C)C)CC[C@@H]21 ZINC001272222911 808802006 /nfs/dbraw/zinc/80/20/06/808802006.db2.gz AVHHBYKMBCZTIL-SJORKVTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCN1c2ccccc2[C@]2(CC[N@H+](CCC(C)C)C2)C1=O ZINC001272448731 808809764 /nfs/dbraw/zinc/80/97/64/808809764.db2.gz MHKJLSYMJGGTTC-LJQANCHMSA-N 1 1 298.430 3.209 20 30 CGEDMO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2CCC(C)C ZINC001272453285 808810312 /nfs/dbraw/zinc/81/03/12/808810312.db2.gz NWGCDDSUHUVDAL-QGZVFWFLSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CN1CC[C@]2(CCC[N@@H+]2CCCCCC)C1=O ZINC001272477893 808812277 /nfs/dbraw/zinc/81/22/77/808812277.db2.gz XKTNHTAJMBPNMA-QGZVFWFLSA-N 1 1 278.440 3.210 20 30 CGEDMO N#Cc1ccc(Nc2cc[nH+]c3ccccc23)c(C#N)c1 ZINC001174039434 808838890 /nfs/dbraw/zinc/83/88/90/808838890.db2.gz PVYMPGQXYXWAKR-UHFFFAOYSA-N 1 1 270.295 3.144 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](CC)CCCC)CC1 ZINC001273394366 808841511 /nfs/dbraw/zinc/84/15/11/808841511.db2.gz YMIDIETWXZVLNJ-IAGOWNOFSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C2CC2)CC1 ZINC001273437500 808844760 /nfs/dbraw/zinc/84/47/60/808844760.db2.gz POWBBFMDHJDTPJ-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+]1CC[C@]2(CCN(CC3CCCC3)C2=O)C1 ZINC001273493543 808848315 /nfs/dbraw/zinc/84/83/15/808848315.db2.gz YWPUYBCQFRPWCX-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO CC(C)CCC[N@@H+](C)CCCN(C)C(=O)C#CC(C)(C)C ZINC001273507476 808850283 /nfs/dbraw/zinc/85/02/83/808850283.db2.gz BUHQFMKWMKYMDT-UHFFFAOYSA-N 1 1 294.483 3.252 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC)C2 ZINC001273823376 808861486 /nfs/dbraw/zinc/86/14/86/808861486.db2.gz BNUPNUWAAVDVME-SFHVURJKSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@]2(CC[N@@H+](CCC3CC3)C2)C1 ZINC001273834524 808862086 /nfs/dbraw/zinc/86/20/86/808862086.db2.gz XBGOLEKOUPRJFP-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CN1CC[C@]2(CCC[N@H+]([C@@H](C)CC)CC2)C1=O ZINC001273922419 808863901 /nfs/dbraw/zinc/86/39/01/808863901.db2.gz MQXDJWBBXIVKTN-DOTOQJQBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@@H+](C/C=C\Cl)[C@H](C)C1 ZINC001274626416 808880211 /nfs/dbraw/zinc/88/02/11/808880211.db2.gz YUFYJTMJKVAYIW-JFDUVMPXSA-N 1 1 298.858 3.310 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C2CC2)C[C@H]1C ZINC001274644596 808881270 /nfs/dbraw/zinc/88/12/70/808881270.db2.gz QYOKDUYGRAZHFM-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]2[C@@H]1CCN2CCCC(F)(F)F ZINC001274962790 808895249 /nfs/dbraw/zinc/89/52/49/808895249.db2.gz VHUWZIOAGRDLIN-KBPBESRZSA-N 1 1 290.373 3.444 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)C[C@H]1C=CCC1 ZINC001275086466 808906003 /nfs/dbraw/zinc/90/60/03/808906003.db2.gz BRKPJKUPNWSXRD-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CCC1CCCC1 ZINC001275086871 808906325 /nfs/dbraw/zinc/90/63/25/808906325.db2.gz GSIHITTXMQCDDW-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)CCC(=C)C ZINC001275114202 808911210 /nfs/dbraw/zinc/91/12/10/808911210.db2.gz HGHOYKDEKPZASA-INIZCTEOSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@@H]1C[N@H+](C)CC(=C)C ZINC001275115995 808911381 /nfs/dbraw/zinc/91/13/81/808911381.db2.gz SRFVDJPLERSPAA-OAHLLOKOSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)C1(CC)CCC1 ZINC001275134949 808914549 /nfs/dbraw/zinc/91/45/49/808914549.db2.gz DOYXNLSUFUDIQS-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@H](CC)C(C)C ZINC001275161310 808918361 /nfs/dbraw/zinc/91/83/61/808918361.db2.gz YIXRBPJQAOVLJM-IRXDYDNUSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]([C@H]2CC[N@H+](C(C)C)C2)C1 ZINC001275183759 808920578 /nfs/dbraw/zinc/92/05/78/808920578.db2.gz IFAFJJMIIYOBQO-SJORKVTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001275558775 808949214 /nfs/dbraw/zinc/94/92/14/808949214.db2.gz FMIQSAHACRYJCS-OWCLPIDISA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)CCC(C)(C)C ZINC001275699015 808959102 /nfs/dbraw/zinc/95/91/02/808959102.db2.gz VEXIOHIBXKJEDV-GJZGRUSLSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CCCC(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(C)c(C)c1 ZINC001275781391 808965488 /nfs/dbraw/zinc/96/54/88/808965488.db2.gz LJOXNSMKDIPSQM-INIZCTEOSA-N 1 1 288.435 3.206 20 30 CGEDMO N#Cc1ccc(CN2CC[C@H]3C[N@H+](C4CCCC4)C[C@H]32)cc1 ZINC001275829077 808969373 /nfs/dbraw/zinc/96/93/73/808969373.db2.gz OYBWYTCWKPWXAY-PKOBYXMFSA-N 1 1 295.430 3.007 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)CNC(=O)c1cc2sccc2s1 ZINC001275865923 808972346 /nfs/dbraw/zinc/97/23/46/808972346.db2.gz QASPLPZDNMDHQN-SNVBAGLBSA-N 1 1 294.445 3.199 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001275886797 808973572 /nfs/dbraw/zinc/97/35/72/808973572.db2.gz GFRAHEDDFSRYJR-NXOAAHMSSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001275886798 808974037 /nfs/dbraw/zinc/97/40/37/808974037.db2.gz GFRAHEDDFSRYJR-VQHPVUNQSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001275977690 808980389 /nfs/dbraw/zinc/98/03/89/808980389.db2.gz UYPXEVRSJGDTRF-JYJNAYRXSA-N 1 1 280.456 3.215 20 30 CGEDMO N#Cc1ccccc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCCC1 ZINC001275965561 808980641 /nfs/dbraw/zinc/98/06/41/808980641.db2.gz JFVPWKYHHWHBNG-KDURUIRLSA-N 1 1 295.430 3.149 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)C1(C2CCCCC2)CC1 ZINC001275985390 808982241 /nfs/dbraw/zinc/98/22/41/808982241.db2.gz AXKVQGUQLHONIT-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H]2OCCN(C3CCCC3)[C@H]2C1 ZINC001276041343 808985898 /nfs/dbraw/zinc/98/58/98/808985898.db2.gz WBTYTEBKIUKJNO-ROUUACIJSA-N 1 1 292.467 3.060 20 30 CGEDMO N#Cc1cncc(NC2=CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001174392541 808991027 /nfs/dbraw/zinc/99/10/27/808991027.db2.gz DZPUMWSQKOPJHQ-UHFFFAOYSA-N 1 1 290.370 3.155 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1CCCCC[N@H+]1C/C=C\Cl ZINC001276312863 809001954 /nfs/dbraw/zinc/00/19/54/809001954.db2.gz VPNLKSKDRCADFL-GDAGCXPBSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C)CC1 ZINC001276471950 809010821 /nfs/dbraw/zinc/01/08/21/809010821.db2.gz HKSJWPBJUGBDOY-IKGGRYGDSA-N 1 1 260.425 3.067 20 30 CGEDMO C=C(C)[C@@H]1CC=C(CN2CC[C@H]3[C@@H]2CC[N@H+]3C)CC1 ZINC001276471950 809010828 /nfs/dbraw/zinc/01/08/28/809010828.db2.gz HKSJWPBJUGBDOY-IKGGRYGDSA-N 1 1 260.425 3.067 20 30 CGEDMO C=C(C)[C@@H]1CC=C(CN2CC[C@H]3[C@@H]2CC[N@@H+]3C)CC1 ZINC001276471950 809010834 /nfs/dbraw/zinc/01/08/34/809010834.db2.gz HKSJWPBJUGBDOY-IKGGRYGDSA-N 1 1 260.425 3.067 20 30 CGEDMO C#Cc1ccccc1Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001174446447 809017821 /nfs/dbraw/zinc/01/78/21/809017821.db2.gz DSUAXCZCPDRSET-UHFFFAOYSA-N 1 1 292.382 3.244 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1C[N@H+](C[C@H](F)CC)CC1(C)C ZINC001276586520 809018241 /nfs/dbraw/zinc/01/82/41/809018241.db2.gz KOOFRYVMHSJBIG-KGLIPLIRSA-N 1 1 298.446 3.163 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](CC2CCCC2)CC1(C)C ZINC001276586430 809019196 /nfs/dbraw/zinc/01/91/96/809019196.db2.gz IWDBIAISUBHUCG-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CCC(=O)N1C[C@]2(C)C[N@H+](CCCC)C[C@]2(C)C1 ZINC001276901621 809041421 /nfs/dbraw/zinc/04/14/21/809041421.db2.gz QKEOCTKNIAAUAH-HDICACEKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)CC1CCCCCC1 ZINC001276933383 809046335 /nfs/dbraw/zinc/04/63/35/809046335.db2.gz WSHJSDBUJRUTLU-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@]2(CCC[C@H]2C(N)=O)C1 ZINC001277230320 809064841 /nfs/dbraw/zinc/06/48/41/809064841.db2.gz FTVKZFHETYLALX-DOTOQJQBSA-N 1 1 280.456 3.324 20 30 CGEDMO CC#CC[N@H+](C)C1CCN(C(=O)[C@H](CCC)C(C)C)CC1 ZINC001277429230 809073669 /nfs/dbraw/zinc/07/36/69/809073669.db2.gz JXZPWYNRPUCSDH-QGZVFWFLSA-N 1 1 292.467 3.005 20 30 CGEDMO CCCC[C@@H](CC)C[N@H+]1CCC12CN(CCCC#N)C2 ZINC001277943057 809107276 /nfs/dbraw/zinc/10/72/76/809107276.db2.gz LIFLXAQMWYBZRG-MRXNPFEDSA-N 1 1 277.456 3.267 20 30 CGEDMO N#CCCN1CCC2(CCC[N@H+](C3CCCC3)C2)CC1 ZINC001277939084 809107370 /nfs/dbraw/zinc/10/73/70/809107370.db2.gz MTTSNTOKPRYYNK-UHFFFAOYSA-N 1 1 275.440 3.021 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)C=C2CCCCC2)C1 ZINC001278362481 809128856 /nfs/dbraw/zinc/12/88/56/809128856.db2.gz DFNWIYDPRPNRRJ-KRWDZBQOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)CC2(C)CC2)C1 ZINC001278410905 809131234 /nfs/dbraw/zinc/13/12/34/809131234.db2.gz PQJMDYCARAFEOG-RHSMWYFYSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)/C=C(/C)CC)[C@H]1C ZINC001278504971 809139038 /nfs/dbraw/zinc/13/90/38/809139038.db2.gz GZKPROVFPJDOEZ-PAZCZOEESA-N 1 1 284.831 3.064 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)/C=C(/C)CC)[C@H]1C ZINC001278504971 809139042 /nfs/dbraw/zinc/13/90/42/809139042.db2.gz GZKPROVFPJDOEZ-PAZCZOEESA-N 1 1 284.831 3.064 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C2(C)CC(=C)C2)[C@H]1C ZINC001278521446 809140450 /nfs/dbraw/zinc/14/04/50/809140450.db2.gz NUTQKWIZKDAZAC-HZPDHXFCSA-N 1 1 290.451 3.278 20 30 CGEDMO N#CC1(c2cccc(-n3c[nH+]c4cccc(N)c43)c2)CC1 ZINC001213321156 815265691 /nfs/dbraw/zinc/26/56/91/815265691.db2.gz YRVUPZCKQGQQDG-UHFFFAOYSA-N 1 1 274.327 3.163 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)C2(C)CCC2)C1 ZINC001278673678 809150462 /nfs/dbraw/zinc/15/04/62/809150462.db2.gz VDEKZGJZSMTZPH-QGZVFWFLSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C1CCC(C(=O)NC[C@]2(C)CCC[N@H+](C(C)C)C2)CC1 ZINC001278677233 809151875 /nfs/dbraw/zinc/15/18/75/809151875.db2.gz FWNMVEPIMMANHL-SFHVURJKSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@H](CC)CCC)C[C@H]2C1 ZINC001279402945 809172377 /nfs/dbraw/zinc/17/23/77/809172377.db2.gz GEVTZCALUAWINR-ZACQAIPSSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCC(C)C ZINC001279541937 809173561 /nfs/dbraw/zinc/17/35/61/809173561.db2.gz LURFEKUPAXYKAO-CABCVRRESA-N 1 1 298.858 3.240 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCC(C)C ZINC001279541937 809173566 /nfs/dbraw/zinc/17/35/66/809173566.db2.gz LURFEKUPAXYKAO-CABCVRRESA-N 1 1 298.858 3.240 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC(C)C ZINC001279542793 809174436 /nfs/dbraw/zinc/17/44/36/809174436.db2.gz PVSDTYKZVGQVIU-JKSUJKDBSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC[C@@H](C)F ZINC001279567736 809174837 /nfs/dbraw/zinc/17/48/37/809174837.db2.gz YSNKGGJJJPIFJU-OAGGEKHMSA-N 1 1 296.430 3.156 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC1CCC1 ZINC001279552741 809174880 /nfs/dbraw/zinc/17/48/80/809174880.db2.gz DMICAEMYHZBIEE-IRXDYDNUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC(=C)C ZINC001279564449 809174980 /nfs/dbraw/zinc/17/49/80/809174980.db2.gz DZKWFKQMFASEKJ-CVEARBPZSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](C3CCCCC3)C2)C1=O ZINC001174863736 809181382 /nfs/dbraw/zinc/18/13/82/809181382.db2.gz TWUSDUVXRMAKAH-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H](NC(=O)C=C2CCC2)CC1 ZINC001280728976 809196216 /nfs/dbraw/zinc/19/62/16/809196216.db2.gz RHWXRMZJNGCGBO-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)CCCN(C)C(=O)/C(C)=C/C ZINC001280803043 809200347 /nfs/dbraw/zinc/20/03/47/809200347.db2.gz QOGOCBBSOPRZIJ-NHXNDTTKSA-N 1 1 266.429 3.088 20 30 CGEDMO CC#CC[N@@H+](C)CCCN(C)C(=O)C1CCCCCCC1 ZINC001280833543 809202003 /nfs/dbraw/zinc/20/20/03/809202003.db2.gz YNLPNKJOULTNKQ-UHFFFAOYSA-N 1 1 292.467 3.151 20 30 CGEDMO C=CC[N@H+](C)CCCN(C)C(=O)c1cccc(C(F)F)c1 ZINC001280881492 809203062 /nfs/dbraw/zinc/20/30/62/809203062.db2.gz SPMRVTVZVMVOJL-UHFFFAOYSA-N 1 1 296.361 3.204 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@H]1[C@H]1CCC[N@H+](CC)C1 ZINC001280888904 809203995 /nfs/dbraw/zinc/20/39/95/809203995.db2.gz DOGMPJNHDGJHMD-HOTGVXAUSA-N 1 1 278.440 3.066 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)CCCCC(C)C)C(C)(C)C1 ZINC001281570598 809214568 /nfs/dbraw/zinc/21/45/68/809214568.db2.gz CXXIBPCIQPEDSB-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C(C)C)C2)C1 ZINC001281976025 809226186 /nfs/dbraw/zinc/22/61/86/809226186.db2.gz RVFUYDQZPTUICC-SJORKVTESA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]1C[N@H+](C)CC1CC(C)C1 ZINC001281956869 809226283 /nfs/dbraw/zinc/22/62/83/809226283.db2.gz MZRRCMFAWLGCBT-JCYILVPMSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)CCCCC(C)C ZINC001281965274 809226693 /nfs/dbraw/zinc/22/66/93/809226693.db2.gz QHZHNXMOGLMBGC-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)c1ccccc1 ZINC001282476767 809250086 /nfs/dbraw/zinc/25/00/86/809250086.db2.gz AASXKMMMDGPUQQ-HOTGVXAUSA-N 1 1 288.435 3.193 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001282486058 809251185 /nfs/dbraw/zinc/25/11/85/809251185.db2.gz PFBCKWOGXKCRND-BZUAXINKSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)CNC(=O)C/C=C/c1ccc(C)cc1 ZINC001282504364 809252528 /nfs/dbraw/zinc/25/25/28/809252528.db2.gz OIYHIYOAYBYMOW-MOEXGYKKSA-N 1 1 286.419 3.021 20 30 CGEDMO C#CCCCCCC(=O)NC[C@H]1CCCCC[N@@H+]1CCC ZINC001282664635 809258544 /nfs/dbraw/zinc/25/85/44/809258544.db2.gz HUQGXSOUNSGKRR-QGZVFWFLSA-N 1 1 292.467 3.341 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@H](NC(=O)C2=CCCC2)C(C)(C)C1 ZINC001282797104 809263218 /nfs/dbraw/zinc/26/32/18/809263218.db2.gz LPGSEFNRCATQBF-HOCLYGCPSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)[C@H](F)CC)C2)C1 ZINC001282967058 809268441 /nfs/dbraw/zinc/26/84/41/809268441.db2.gz IHCSPCAUBGRKLW-HUUCEWRRSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)CC2=CCCCC2)CC1 ZINC001283297384 809275531 /nfs/dbraw/zinc/27/55/31/809275531.db2.gz YUDCSYMRVPHMIT-UHFFFAOYSA-N 1 1 290.451 3.376 20 30 CGEDMO C#CCCCCCC(=O)N[C@@]12CCC[C@@H]1[N@@H+](C(C)C)CC2 ZINC001284071778 809295639 /nfs/dbraw/zinc/29/56/39/809295639.db2.gz ZMLHZMUFGQETGK-FUHWJXTLSA-N 1 1 290.451 3.092 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)CC)[C@H]1C ZINC001284103358 809296756 /nfs/dbraw/zinc/29/67/56/809296756.db2.gz TYLUHCJLFJQKGY-HUUCEWRRSA-N 1 1 266.429 3.112 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)/C=C(\C)C1CC1)C(C)C ZINC001284528934 809306070 /nfs/dbraw/zinc/30/60/70/809306070.db2.gz CQNDDPZZUBMXSM-FYWRMAATSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCC1=CC[N@@H+](CCC(C)C)CC1 ZINC001284960581 809321666 /nfs/dbraw/zinc/32/16/66/809321666.db2.gz VYBHXNKDPSXTDH-GOSISDBHSA-N 1 1 292.467 3.383 20 30 CGEDMO CCc1ccc(CC[N@@H+](C)[C@H]2CCC[C@H]2C#N)cc1 ZINC001175250224 809325031 /nfs/dbraw/zinc/32/50/31/809325031.db2.gz PHTPODGWPMPQOD-IRXDYDNUSA-N 1 1 256.393 3.416 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC001175802758 809547035 /nfs/dbraw/zinc/54/70/35/809547035.db2.gz YSOPOUOYLPFYGU-MRXNPFEDSA-N 1 1 279.387 3.279 20 30 CGEDMO C=CCC1(NC(=O)[C@H]2CCC[N@H+](CCC)C2)CCCC1 ZINC001300859567 809575049 /nfs/dbraw/zinc/57/50/49/809575049.db2.gz UYOIONHMHZGPKM-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCCC[C@@]12CCOC2 ZINC001176977361 809772472 /nfs/dbraw/zinc/77/24/72/809772472.db2.gz JUUIPEVHAHWTIA-SFHVURJKSA-N 1 1 284.403 3.320 20 30 CGEDMO CNc1ccc(C)cc1C[N@H+](CCC#N)CC1CC1 ZINC001180030837 809968995 /nfs/dbraw/zinc/96/89/95/809968995.db2.gz QRDKVJFHGRPZEI-UHFFFAOYSA-N 1 1 257.381 3.162 20 30 CGEDMO CNc1ccc(C)cc1C[N@@H+](CCC#N)CC1CC1 ZINC001180030837 809968997 /nfs/dbraw/zinc/96/89/97/809968997.db2.gz QRDKVJFHGRPZEI-UHFFFAOYSA-N 1 1 257.381 3.162 20 30 CGEDMO C=CCCCNC(=O)C12CC(C1)CC[N@H+]2Cc1ccccc1 ZINC001181494736 810055108 /nfs/dbraw/zinc/05/51/08/810055108.db2.gz MWEKKOAUZRGXDF-UHFFFAOYSA-N 1 1 298.430 3.124 20 30 CGEDMO CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc([C@H](C)C#N)cc1 ZINC001181997605 810088013 /nfs/dbraw/zinc/08/80/13/810088013.db2.gz IVQSRAWUQWTPGQ-CJNGLKHVSA-N 1 1 285.391 3.127 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)c1nc2cc(C)ccc2o1 ZINC001186854569 810365990 /nfs/dbraw/zinc/36/59/90/810365990.db2.gz MNXRORKIZVALCB-UHFFFAOYSA-N 1 1 273.380 3.080 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)/C(C)=C/CC)[C@@H]2C1 ZINC001187101040 810383857 /nfs/dbraw/zinc/38/38/57/810383857.db2.gz HUJCOGYXWCKMRU-KRYRETCRSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)CCCC)[C@@H]2C1 ZINC001187779750 810423758 /nfs/dbraw/zinc/42/37/58/810423758.db2.gz NIJQKFAATMIQJO-IXDOHACOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CC2CCCC2)C1 ZINC001188703512 810504484 /nfs/dbraw/zinc/50/44/84/810504484.db2.gz YTZWQVDHCPYSMP-RDJZCZTQSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)CCCC)C1 ZINC001188991834 810531394 /nfs/dbraw/zinc/53/13/94/810531394.db2.gz IGKZNKULTAYZFU-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)CCCC)C1 ZINC001188991833 810531584 /nfs/dbraw/zinc/53/15/84/810531584.db2.gz IGKZNKULTAYZFU-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)/C=C\C2CC2)C1 ZINC001189536723 810575454 /nfs/dbraw/zinc/57/54/54/810575454.db2.gz JOTJWKNPIUMNKP-QXPKXGMISA-N 1 1 290.451 3.232 20 30 CGEDMO C#CCCCC(=O)N1CC[C@H]([N@@H+](C)CCCCCC=C)C1 ZINC001189910740 810595016 /nfs/dbraw/zinc/59/50/16/810595016.db2.gz RVGVYXBKWMARCF-KRWDZBQOSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C(C)=C2CCC2)C1 ZINC001190025165 810602783 /nfs/dbraw/zinc/60/27/83/810602783.db2.gz OMMBYUKSKIJQBN-YOEHRIQHSA-N 1 1 290.451 3.374 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001190156699 810610757 /nfs/dbraw/zinc/61/07/57/810610757.db2.gz UUNMKLQVBASRPS-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C#CCC[N@H+](C)[C@@H]1CCN(C(=O)CCCC[C@H](C)CC)C1 ZINC001190361619 810622820 /nfs/dbraw/zinc/62/28/20/810622820.db2.gz FWGBRGYVGQKXDN-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CC(C)(C)C=C)C1 ZINC001190398162 810625336 /nfs/dbraw/zinc/62/53/36/810625336.db2.gz RABJEWWTOCINCB-HOTGVXAUSA-N 1 1 292.467 3.476 20 30 CGEDMO C#CC[N@H+](C[C@@H](O)[C@@H](C)c1ccccc1)C1CCCCC1 ZINC001190699203 810643196 /nfs/dbraw/zinc/64/31/96/810643196.db2.gz GAJYEDGWVNYPLX-QFBILLFUSA-N 1 1 285.431 3.419 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)C(=C)C)C1 ZINC001191683894 810729910 /nfs/dbraw/zinc/72/99/10/810729910.db2.gz MRNYBRHVHKVAMT-HNNXBMFYSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](F)C(C)C)C1 ZINC001191819562 810745620 /nfs/dbraw/zinc/74/56/20/810745620.db2.gz QCUXGVBRQVRGST-HOTGVXAUSA-N 1 1 298.446 3.260 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)C2(CC)CCC2)C1 ZINC001191819929 810746150 /nfs/dbraw/zinc/74/61/50/810746150.db2.gz VEFGKCAGEQQRPG-CVEARBPZSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C[C@H](C=C)CC)C1 ZINC001191890879 810754020 /nfs/dbraw/zinc/75/40/20/810754020.db2.gz VQGKZAXDHYBPLF-CVEARBPZSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CC[C@H]([N@@H+](C)CCCCCF)C1 ZINC001191901027 810756045 /nfs/dbraw/zinc/75/60/45/810756045.db2.gz FMUVIRLJAKYFMW-HOTGVXAUSA-N 1 1 298.446 3.261 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC[C@@H]([N@@H+](C)CCC(C)(C)C)C2)C1 ZINC001192257680 810781887 /nfs/dbraw/zinc/78/18/87/810781887.db2.gz PNYZYZMMUIKMEI-OAHLLOKOSA-N 1 1 292.467 3.312 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@H+](CCO)C2CCCCC2)c1 ZINC001192399854 810794198 /nfs/dbraw/zinc/79/41/98/810794198.db2.gz DJGBJXCKJNNPOX-UHFFFAOYSA-N 1 1 292.810 3.339 20 30 CGEDMO CC#CC[N@@H+](C)[C@H]1CCN(C(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001192501570 810804324 /nfs/dbraw/zinc/80/43/24/810804324.db2.gz OKNPIBCOOUBNGK-HOTGVXAUSA-N 1 1 292.467 3.005 20 30 CGEDMO C#CCC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001192513822 810804694 /nfs/dbraw/zinc/80/46/94/810804694.db2.gz SFTXFKXUQZPGJZ-CVEARBPZSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)c2csc(Cl)c2)C1 ZINC001192688626 810816821 /nfs/dbraw/zinc/81/68/21/810816821.db2.gz WTYBOMWKPVMFIB-LBPRGKRZSA-N 1 1 298.839 3.124 20 30 CGEDMO CCCCCCC[C@H](C)NC(=O)N1CC[N@@H+](CC)[C@H](C)C1 ZINC001192938671 810832026 /nfs/dbraw/zinc/83/20/26/810832026.db2.gz OXVBDTYWQAIPCZ-JKSUJKDBSA-N 1 1 297.487 3.471 20 30 CGEDMO CCCCCCC[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC001192953964 810834559 /nfs/dbraw/zinc/83/45/59/810834559.db2.gz WZKYUIGQTDOQHW-OWCLPIDISA-N 1 1 297.487 3.375 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)CCC(C)(C)C)C1 ZINC001192970424 810837215 /nfs/dbraw/zinc/83/72/15/810837215.db2.gz UERZYFSMFMGRHL-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CCOCC[N@H+](C)C[C@H](C)CSc1ccccc1C ZINC001193022096 810843735 /nfs/dbraw/zinc/84/37/35/810843735.db2.gz OJUBCQCJFVYOEM-HNNXBMFYSA-N 1 1 291.460 3.305 20 30 CGEDMO C#CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)CCCCCC)C1 ZINC001193416394 810885187 /nfs/dbraw/zinc/88/51/87/810885187.db2.gz CIXOKBQAHRIUGE-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO C#CCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001193432029 810887510 /nfs/dbraw/zinc/88/75/10/810887510.db2.gz FFCDZGIMPIOIGL-HZPDHXFCSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)C)C1 ZINC001193610766 810919902 /nfs/dbraw/zinc/91/99/02/810919902.db2.gz QLHABCVFBSDNRO-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO Cc1ccc(C[N@H+](C)CC2(O)CCCCCC2)cc1C#N ZINC001193617659 810920323 /nfs/dbraw/zinc/92/03/23/810920323.db2.gz WMMUNLNIWXEXGB-UHFFFAOYSA-N 1 1 286.419 3.384 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(C)cc2)C1 ZINC001193662245 810932281 /nfs/dbraw/zinc/93/22/81/810932281.db2.gz FFYWAUDZVNBJCY-KRWDZBQOSA-N 1 1 286.419 3.108 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)C2(CC=C)CCCC2)C1 ZINC001194566268 811090905 /nfs/dbraw/zinc/09/09/05/811090905.db2.gz DGHRKOGSZGCNMP-MRXNPFEDSA-N 1 1 290.451 3.232 20 30 CGEDMO C#CCOCC[N@@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC001194607618 811094463 /nfs/dbraw/zinc/09/44/63/811094463.db2.gz JYFLUBVBNNHTQQ-HNNXBMFYSA-N 1 1 295.835 3.156 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC001195569439 811266580 /nfs/dbraw/zinc/26/65/80/811266580.db2.gz ZONGHNTUBFKKTC-NSHDSACASA-N 1 1 251.732 3.324 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC001195569439 811266583 /nfs/dbraw/zinc/26/65/83/811266583.db2.gz ZONGHNTUBFKKTC-NSHDSACASA-N 1 1 251.732 3.324 20 30 CGEDMO C#CCCCCC(=O)N1CCC[N@H+](CC/C=C/CC)CC1 ZINC001195555686 811267292 /nfs/dbraw/zinc/26/72/92/811267292.db2.gz IETFICDSOGOJLJ-SOFGYWHQSA-N 1 1 290.451 3.071 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCC[N@H+](CC=C(C)C)CC1 ZINC001195966530 811305895 /nfs/dbraw/zinc/30/58/95/811305895.db2.gz KEXOGFVNQLVYOL-UHFFFAOYSA-N 1 1 290.451 3.255 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[N@H+](CCC(C)C)CC1 ZINC001195982417 811308046 /nfs/dbraw/zinc/30/80/46/811308046.db2.gz VUQWGHPYZWHXIH-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[N@@H+](CC2=CCCCC2)CC1 ZINC001196010183 811310111 /nfs/dbraw/zinc/31/01/11/811310111.db2.gz KQZDCSBGVGKICY-UHFFFAOYSA-N 1 1 290.451 3.377 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC001196134996 811321209 /nfs/dbraw/zinc/32/12/09/811321209.db2.gz UOYAPNULAVRBDT-RDTXWAMCSA-N 1 1 285.387 3.451 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCN(C(=O)CC2(C)CC2)CC1 ZINC001196539457 811352565 /nfs/dbraw/zinc/35/25/65/811352565.db2.gz LRPRKXNBVJHFJR-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)C[C@H](CC)CCCC)CC1 ZINC001196574468 811352869 /nfs/dbraw/zinc/35/28/69/811352869.db2.gz PMPIUCQLOPULHP-MRXNPFEDSA-N 1 1 280.456 3.313 20 30 CGEDMO CC#CC[N@H+]1CCCN(C(=O)C[C@H](CC)CCCC)CC1 ZINC001196575342 811354434 /nfs/dbraw/zinc/35/44/34/811354434.db2.gz WZWQTGBDGXXLKL-QGZVFWFLSA-N 1 1 292.467 3.151 20 30 CGEDMO CC#CC[N@@H+]1CCCN(C(=O)C[C@H](CC)CCCC)CC1 ZINC001196575342 811354445 /nfs/dbraw/zinc/35/44/45/811354445.db2.gz WZWQTGBDGXXLKL-QGZVFWFLSA-N 1 1 292.467 3.151 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCN(C(=O)[C@H](F)CC)CC1 ZINC001196763380 811363891 /nfs/dbraw/zinc/36/38/91/811363891.db2.gz YHJLRLPUAKGQNA-OAHLLOKOSA-N 1 1 284.419 3.015 20 30 CGEDMO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](CCCCCF)CC1 ZINC001196854751 811374378 /nfs/dbraw/zinc/37/43/78/811374378.db2.gz SSBJFHHEPAQHQY-JKSUJKDBSA-N 1 1 298.446 3.119 20 30 CGEDMO C#CC[C@H]1CC[N@H+](CC2(O)CCC(c3ccccc3)CC2)C1 ZINC001197700846 811447286 /nfs/dbraw/zinc/44/72/86/811447286.db2.gz ABTAMXDCJDQYIS-KKXNLOMOSA-N 1 1 297.442 3.421 20 30 CGEDMO CC#CC[N@H+]1CCCN(C(=O)C[C@@H](CC)C(C)(C)C)CC1 ZINC001197802540 811453885 /nfs/dbraw/zinc/45/38/85/811453885.db2.gz RJPWOPLMEKDFDR-MRXNPFEDSA-N 1 1 292.467 3.006 20 30 CGEDMO CC#CC[N@@H+]1CCCN(C(=O)C[C@@H](CC)C(C)(C)C)CC1 ZINC001197802540 811453892 /nfs/dbraw/zinc/45/38/92/811453892.db2.gz RJPWOPLMEKDFDR-MRXNPFEDSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)C[C@@H](CC)C(C)C)CC1 ZINC001197885432 811460452 /nfs/dbraw/zinc/46/04/52/811460452.db2.gz GTZPVGOQPIZYEJ-MRXNPFEDSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@]2(C=Cc3ccccc3O2)C1 ZINC001198243992 811487748 /nfs/dbraw/zinc/48/77/48/811487748.db2.gz XSMFHWBLFAIGCM-IEBWSBKVSA-N 1 1 299.414 3.254 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)[C@H](CCC)CC(C)C)CC1 ZINC001198310126 811491889 /nfs/dbraw/zinc/49/18/89/811491889.db2.gz PCYZEZLAJILDBF-MRXNPFEDSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1CCC(=O)Nc1cc(F)ccc1C ZINC001198489833 811508293 /nfs/dbraw/zinc/50/82/93/811508293.db2.gz DIOAJKRVRRSVBP-AWEZNQCLSA-N 1 1 276.355 3.113 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCc1ccc(OCC)cc1 ZINC001198526107 811511758 /nfs/dbraw/zinc/51/17/58/811511758.db2.gz PPRCETZOMGKOJI-UHFFFAOYSA-N 1 1 253.773 3.312 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCc1ccc(OCC)cc1 ZINC001198526107 811511764 /nfs/dbraw/zinc/51/17/64/811511764.db2.gz PPRCETZOMGKOJI-UHFFFAOYSA-N 1 1 253.773 3.312 20 30 CGEDMO C=C(CC)C[N@H+]1CCCC[C@H]1c1ccc(C(=O)OC)n1C ZINC001198721613 811538736 /nfs/dbraw/zinc/53/87/36/811538736.db2.gz YYTQQWMRHZKRNT-HNNXBMFYSA-N 1 1 290.407 3.305 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](C[C@H](C)CC)CC2 ZINC001201505094 811873176 /nfs/dbraw/zinc/87/31/76/811873176.db2.gz YBTVDSSOFKUHGF-WBVHZDCISA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@H+](CCCCCC)C2)C1=O ZINC001201747030 811957078 /nfs/dbraw/zinc/95/70/78/811957078.db2.gz SGOOBOAUYBUOJR-KRWDZBQOSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCOCc1nn(C)c2c1C[N@@H+](CCCCCC)CC2 ZINC001201750485 811958402 /nfs/dbraw/zinc/95/84/02/811958402.db2.gz MMMKRHFTNFKIIC-UHFFFAOYSA-N 1 1 291.439 3.061 20 30 CGEDMO CCCCCCCN1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001201762220 811962810 /nfs/dbraw/zinc/96/28/10/811962810.db2.gz BOAWQZZIDGJSHD-UHFFFAOYSA-N 1 1 264.457 3.375 20 30 CGEDMO CCCCCCC[N@H+]1CCC2SC(=O)C=C2C1 ZINC001201762356 811962958 /nfs/dbraw/zinc/96/29/58/811962958.db2.gz HIUFQLVIQQLYLR-ZDUSSCGKSA-N 1 1 253.411 3.231 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@]2(CCC(=O)N2)[C@H]1CC ZINC001201776953 811965097 /nfs/dbraw/zinc/96/50/97/811965097.db2.gz PSQMZSYULUZUEB-WBVHZDCISA-N 1 1 280.456 3.480 20 30 CGEDMO C=CCOC(=O)N[C@H]1CCC[N@H+](CCCCCCC)C1 ZINC001201804086 811966108 /nfs/dbraw/zinc/96/61/08/811966108.db2.gz AKVFUJBDPXYJRA-HNNXBMFYSA-N 1 1 282.428 3.333 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H](Oc2cnccn2)C1 ZINC001201798104 811966221 /nfs/dbraw/zinc/96/62/21/811966221.db2.gz OQZAZZFDVAYJMX-HNNXBMFYSA-N 1 1 277.412 3.290 20 30 CGEDMO CCCCCCCC[N@H+]1C[C@H]2CN(CC3CC3)C(=O)[C@H]2C1 ZINC001201814889 811968014 /nfs/dbraw/zinc/96/80/14/811968014.db2.gz SWNPMVKQGNLSDW-IRXDYDNUSA-N 1 1 292.467 3.147 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@@](F)(C(=O)OC)C1 ZINC001201839735 811968827 /nfs/dbraw/zinc/96/88/27/811968827.db2.gz QKHHOKWLCUGBNE-HNNXBMFYSA-N 1 1 273.392 3.324 20 30 CGEDMO C#C[C@H]([NH2+]Cc1cc(Cl)ccc1OCC)[C@H]1CCCO1 ZINC001202074485 812011283 /nfs/dbraw/zinc/01/12/83/812011283.db2.gz OJGSLHZTYKKXKC-GOEBONIOSA-N 1 1 293.794 3.009 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1cc(Cl)ccc1OCC)[C@H]1CCCO1 ZINC001202074484 812011632 /nfs/dbraw/zinc/01/16/32/812011632.db2.gz OJGSLHZTYKKXKC-GDBMZVCRSA-N 1 1 293.794 3.009 20 30 CGEDMO N#Cc1ccc(O[C@@H]2CCC[N@@H+](CC3CCC3)C2)cc1 ZINC001202793626 812175948 /nfs/dbraw/zinc/17/59/48/812175948.db2.gz YYLDIDLGLPBBOC-QGZVFWFLSA-N 1 1 270.376 3.202 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc(CC)c1 ZINC001202892276 812195032 /nfs/dbraw/zinc/19/50/32/812195032.db2.gz APTOCGOFRMFCLL-INIZCTEOSA-N 1 1 287.407 3.021 20 30 CGEDMO C=CC[N@H+](Cc1ccc(CO)cc1)C1CCCCC1 ZINC001203192783 812265138 /nfs/dbraw/zinc/26/51/38/812265138.db2.gz FXQDAVIOZMZESO-UHFFFAOYSA-N 1 1 259.393 3.500 20 30 CGEDMO N#Cc1cccc(N2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC001203357310 812321717 /nfs/dbraw/zinc/32/17/17/812321717.db2.gz JEERDWXHXOGTHJ-UHFFFAOYSA-N 1 1 295.361 3.020 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(OC(C)=O)c(OC)c1 ZINC001203830638 812471811 /nfs/dbraw/zinc/47/18/11/812471811.db2.gz RBUUKGSKXWMULC-UHFFFAOYSA-N 1 1 277.364 3.019 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(N(CC)CC)cc2)C1 ZINC001203941726 812497501 /nfs/dbraw/zinc/49/75/01/812497501.db2.gz FTOCJNZZQPSSQW-MRXNPFEDSA-N 1 1 270.420 3.378 20 30 CGEDMO CN(C)c1ccc(C[N@@H+]2CC[C@H](C#N)C2)c2ccccc21 ZINC001204240276 812581971 /nfs/dbraw/zinc/58/19/71/812581971.db2.gz NATBTGRXSKCDBT-CQSZACIVSA-N 1 1 279.387 3.251 20 30 CGEDMO CN(C)c1ccc(C[N@H+]2CC[C@H](C#N)C2)c2ccccc21 ZINC001204240276 812581975 /nfs/dbraw/zinc/58/19/75/812581975.db2.gz NATBTGRXSKCDBT-CQSZACIVSA-N 1 1 279.387 3.251 20 30 CGEDMO C=CCOc1ccc(C[N@H+](CCOC)C(C)C)cc1 ZINC001204299980 812605101 /nfs/dbraw/zinc/60/51/01/812605101.db2.gz HFCSNBXSEXZEBG-UHFFFAOYSA-N 1 1 263.381 3.108 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204321105 812612597 /nfs/dbraw/zinc/61/25/97/812612597.db2.gz GKXHMLCDTJEARI-MRXNPFEDSA-N 1 1 268.404 3.132 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001204366826 812621379 /nfs/dbraw/zinc/62/13/79/812621379.db2.gz WOGSJIJUPWYFEJ-CYBMUJFWSA-N 1 1 268.282 3.127 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001204366826 812621381 /nfs/dbraw/zinc/62/13/81/812621381.db2.gz WOGSJIJUPWYFEJ-CYBMUJFWSA-N 1 1 268.282 3.127 20 30 CGEDMO C=CC[NH+]1CCN(Cc2cc(Cl)ccc2Cl)CC1 ZINC001204567177 812678460 /nfs/dbraw/zinc/67/84/60/812678460.db2.gz OWXARIQLOZUBQC-UHFFFAOYSA-N 1 1 285.218 3.297 20 30 CGEDMO C#CC[N@@H+](CC#CC)Cc1c(C)cc(Cl)cc1C ZINC001204776570 812733108 /nfs/dbraw/zinc/73/31/08/812733108.db2.gz QBZPGXOPFSETJG-UHFFFAOYSA-N 1 1 259.780 3.415 20 30 CGEDMO C#CC[N@H+](CC#CC)Cc1c(C)cc(Cl)cc1C ZINC001204776570 812733112 /nfs/dbraw/zinc/73/31/12/812733112.db2.gz QBZPGXOPFSETJG-UHFFFAOYSA-N 1 1 259.780 3.415 20 30 CGEDMO C=CCO[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC001205037861 812836222 /nfs/dbraw/zinc/83/62/22/812836222.db2.gz VFMFYAZHLJWKQK-IXDOHACOSA-N 1 1 257.377 3.100 20 30 CGEDMO C[N@H+](Cc1ccc(F)c(C#N)c1)Cc1cccc2c1OCO2 ZINC001205502423 812992351 /nfs/dbraw/zinc/99/23/51/812992351.db2.gz VMXHIJRUFRKDGB-UHFFFAOYSA-N 1 1 298.317 3.058 20 30 CGEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)Cc1cccc2c1OCO2 ZINC001205502423 812992353 /nfs/dbraw/zinc/99/23/53/812992353.db2.gz VMXHIJRUFRKDGB-UHFFFAOYSA-N 1 1 298.317 3.058 20 30 CGEDMO N#CCCCO[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC001205647523 813040822 /nfs/dbraw/zinc/04/08/22/813040822.db2.gz DXZOJFVVKCHPTN-KZNAEPCWSA-N 1 1 284.403 3.217 20 30 CGEDMO N#CCCCCO[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001205656387 813043844 /nfs/dbraw/zinc/04/38/44/813043844.db2.gz RHCKLKDSQYZBRO-KRWDZBQOSA-N 1 1 272.392 3.361 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2CCCCC2)C1 ZINC001205827508 813098543 /nfs/dbraw/zinc/09/85/43/813098543.db2.gz OYXJMPPYCFLWCG-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@H]([NH2+]C[C@H](C)CC(C)C)C(=O)OCC ZINC001205849337 813107135 /nfs/dbraw/zinc/10/71/35/813107135.db2.gz OUTIVMFKAFEKHT-KGLIPLIRSA-N 1 1 255.402 3.156 20 30 CGEDMO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)c(C)c2)[C@@H](CC)CO1 ZINC001206569486 813357151 /nfs/dbraw/zinc/35/71/51/813357151.db2.gz WCTDPCMXORUNIH-DLBZAZTESA-N 1 1 272.392 3.256 20 30 CGEDMO CCCCCCC[N@@H+](C)Cc1ncccc1OC ZINC001206637553 813382124 /nfs/dbraw/zinc/38/21/24/813382124.db2.gz RDTXKPDVQPDIGI-UHFFFAOYSA-N 1 1 250.386 3.492 20 30 CGEDMO Cc1ccc(C#N)c(Nc2c[nH+]c(N(C)C)cc2C)c1 ZINC001206737137 813413435 /nfs/dbraw/zinc/41/34/35/813413435.db2.gz OTPWRYNNFTZPII-UHFFFAOYSA-N 1 1 266.348 3.380 20 30 CGEDMO C#Cc1ccccc1Nc1c[nH+]c(N(C)C)cc1C ZINC001206748640 813419937 /nfs/dbraw/zinc/41/99/37/813419937.db2.gz MTMYKWSHBPTDPG-UHFFFAOYSA-N 1 1 251.333 3.181 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)/C=C/C2CC2)C1 ZINC001206766224 813429371 /nfs/dbraw/zinc/42/93/71/813429371.db2.gz JJHDJRZUMNKJCH-GSSPJMICSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1C ZINC001207207007 813515457 /nfs/dbraw/zinc/51/54/57/813515457.db2.gz ZLTOOGZAUVCVFW-NVXWUHKLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC(=C)C)C1 ZINC001207215358 813517411 /nfs/dbraw/zinc/51/74/11/813517411.db2.gz GFZGGDGJTGPQTH-OWCLPIDISA-N 1 1 278.440 3.134 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1cccc2c1OCC2 ZINC001207217830 813517500 /nfs/dbraw/zinc/51/75/00/813517500.db2.gz CTFBQIKKTINVIQ-UHFFFAOYSA-N 1 1 292.382 3.168 20 30 CGEDMO CCCC[N@@H+](CCC#N)CCOCc1ccccc1 ZINC001207235412 813520056 /nfs/dbraw/zinc/52/00/56/813520056.db2.gz KCNBYSKHHYXIMZ-UHFFFAOYSA-N 1 1 260.381 3.219 20 30 CGEDMO CCCC[N@H+](CCC#N)CCOCc1ccccc1 ZINC001207235412 813520059 /nfs/dbraw/zinc/52/00/59/813520059.db2.gz KCNBYSKHHYXIMZ-UHFFFAOYSA-N 1 1 260.381 3.219 20 30 CGEDMO CCCC[N@@H+](CCC#N)CCc1ccc(OC)cc1 ZINC001207475837 813570635 /nfs/dbraw/zinc/57/06/35/813570635.db2.gz MABXBAZGWIQCQO-UHFFFAOYSA-N 1 1 260.381 3.253 20 30 CGEDMO CC(C)C1(C[N@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)CC1 ZINC001207689759 813635963 /nfs/dbraw/zinc/63/59/63/813635963.db2.gz WNRSRCNTHTUPTD-QGZVFWFLSA-N 1 1 284.403 3.368 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cs1)Cc1cccn1C(F)F ZINC001207685375 813636255 /nfs/dbraw/zinc/63/62/55/813636255.db2.gz QLRHMMKLPCWUFT-UHFFFAOYSA-N 1 1 281.331 3.448 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1cccn1C(F)F ZINC001207685375 813636258 /nfs/dbraw/zinc/63/62/58/813636258.db2.gz QLRHMMKLPCWUFT-UHFFFAOYSA-N 1 1 281.331 3.448 20 30 CGEDMO C#CC[N@@H+](C)CCCc1cccc(C(F)(F)F)c1 ZINC001207845505 813661385 /nfs/dbraw/zinc/66/13/85/813661385.db2.gz BQTBOXASQVNNSD-UHFFFAOYSA-N 1 1 255.283 3.203 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001208119467 813697917 /nfs/dbraw/zinc/69/79/17/813697917.db2.gz BQMXUYKLNOKTMH-KZQNYRHTSA-N 1 1 251.414 3.481 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@]3(CCOC3)C2)CC1 ZINC001208171277 813723374 /nfs/dbraw/zinc/72/33/74/813723374.db2.gz SCYHJTPMFBTGNR-IAGOWNOFSA-N 1 1 261.409 3.401 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCCC3(COC3)C2)CC1 ZINC001208171258 813723667 /nfs/dbraw/zinc/72/36/67/813723667.db2.gz RMYIFFPMIPKNMU-MRXNPFEDSA-N 1 1 261.409 3.401 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001208171240 813724511 /nfs/dbraw/zinc/72/45/11/813724511.db2.gz RAWQUPPDGRUGAH-HZPDHXFCSA-N 1 1 277.408 3.174 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@H](n3cncn3)C2)CC1 ZINC001208177786 813728831 /nfs/dbraw/zinc/72/88/31/813728831.db2.gz FFCMBWJVOZWXMW-SJORKVTESA-N 1 1 286.423 3.218 20 30 CGEDMO C=C(C)[C@@H]1CC=C(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC001208178247 813729451 /nfs/dbraw/zinc/72/94/51/813729451.db2.gz PACPPBMAKJMHDN-KURKYZTESA-N 1 1 274.452 3.458 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](C)CC)C[C@H]1C ZINC001208295080 813752893 /nfs/dbraw/zinc/75/28/93/813752893.db2.gz YBLSVUVAIOMRIC-RBSFLKMASA-N 1 1 280.456 3.071 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC/C=C\CCC)C[C@H]1C ZINC001208309295 813754143 /nfs/dbraw/zinc/75/41/43/813754143.db2.gz IBTWLLBFJRSFMC-SBKIPFDTSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C)CC=CC2)C1 ZINC001208492873 813763496 /nfs/dbraw/zinc/76/34/96/813763496.db2.gz RUUOMHLFUNTCFO-BZUAXINKSA-N 1 1 290.451 3.134 20 30 CGEDMO N#CC1CCN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001208583120 813769846 /nfs/dbraw/zinc/76/98/46/813769846.db2.gz WLKGCXYANFAFNL-LJQANCHMSA-N 1 1 297.446 3.277 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCOCCOCc1ccccc1 ZINC001208752477 813834138 /nfs/dbraw/zinc/83/41/38/813834138.db2.gz QRXILCGOTMHTTE-UHFFFAOYSA-N 1 1 277.408 3.118 20 30 CGEDMO N#Cc1cccc(CCC[N@H+]2CCc3cc(O)ccc3C2)c1 ZINC001208851320 813866584 /nfs/dbraw/zinc/86/65/84/813866584.db2.gz DUFWOJCGTOQSAG-UHFFFAOYSA-N 1 1 292.382 3.255 20 30 CGEDMO C[C@@]1(F)CC[N@@H+](CCCc2ccc(C#N)cc2)C[C@H]1F ZINC001208855780 813868123 /nfs/dbraw/zinc/86/81/23/813868123.db2.gz HIUJWMVNLZJUMU-HZPDHXFCSA-N 1 1 278.346 3.263 20 30 CGEDMO CC[N@@H+](CCCc1ccc(C#N)cc1)Cc1ccccn1 ZINC001208863104 813871419 /nfs/dbraw/zinc/87/14/19/813871419.db2.gz WZBNZCOPNQUUOG-UHFFFAOYSA-N 1 1 279.387 3.408 20 30 CGEDMO CC1(C)[C@@H]2C[N@H+](CCCc3ccc(C#N)cc3)C[C@@H]21 ZINC001208861798 813871794 /nfs/dbraw/zinc/87/17/94/813871794.db2.gz BFFXULFKHMSFLT-IYBDPMFKSA-N 1 1 254.377 3.079 20 30 CGEDMO C[N@H+](CCCc1ccc(C#N)cc1)Cc1cscn1 ZINC001208862265 813872476 /nfs/dbraw/zinc/87/24/76/813872476.db2.gz GBINKPLIFKURCK-UHFFFAOYSA-N 1 1 271.389 3.079 20 30 CGEDMO C[N@@H+](CCCc1ccc(C#N)cc1)Cc1cscn1 ZINC001208862265 813872487 /nfs/dbraw/zinc/87/24/87/813872487.db2.gz GBINKPLIFKURCK-UHFFFAOYSA-N 1 1 271.389 3.079 20 30 CGEDMO N#Cc1ccc(CC[N@@H+]2CC[C@H](F)C(F)(F)CC2)cc1 ZINC001208920854 813901142 /nfs/dbraw/zinc/90/11/42/813901142.db2.gz RZASCLLPLYWQJN-AWEZNQCLSA-N 1 1 282.309 3.170 20 30 CGEDMO CCN(CCC#N)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208934671 813904226 /nfs/dbraw/zinc/90/42/26/813904226.db2.gz FSYYWAGGAOZGKO-GOSISDBHSA-N 1 1 285.435 3.134 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC/C=C\CC)C[C@H]1C ZINC001208954730 813911007 /nfs/dbraw/zinc/91/10/07/813911007.db2.gz QLIRZSYOJMDCNI-NKIGNDQYSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CCC)C(C)C)C1 ZINC001209037715 813921361 /nfs/dbraw/zinc/92/13/61/813921361.db2.gz BFJMIFOVMYMVLR-BRWVUGGUSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@](C)(C(=O)OCC)C1 ZINC001209156346 813950450 /nfs/dbraw/zinc/95/04/50/813950450.db2.gz ANPKXGGKDXHSQS-HNNXBMFYSA-N 1 1 253.386 3.008 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](Oc2ccccc2OC)C1 ZINC001209161122 813951097 /nfs/dbraw/zinc/95/10/97/813951097.db2.gz HPDZXBLQZUSRBA-AWEZNQCLSA-N 1 1 261.365 3.115 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](C(=O)OCC)[C@@H]2CCCC[C@@H]2C1 ZINC001209158648 813951584 /nfs/dbraw/zinc/95/15/84/813951584.db2.gz VATCJOVQRHEQIQ-OAGGEKHMSA-N 1 1 279.424 3.254 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@H]1[C@@H](C(N)=O)c1ccccc1 ZINC001209163206 813953465 /nfs/dbraw/zinc/95/34/65/813953465.db2.gz WJXAFMZUHIENFV-IRXDYDNUSA-N 1 1 286.419 3.076 20 30 CGEDMO C=CCCC[N@H+]1CCn2cc(-c3ccccc3)nc2C1 ZINC001209163982 813953933 /nfs/dbraw/zinc/95/39/33/813953933.db2.gz PYXFSVLPULCOFC-UHFFFAOYSA-N 1 1 267.376 3.332 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)CC(C)(C)C)C1 ZINC001209188366 813959670 /nfs/dbraw/zinc/95/96/70/813959670.db2.gz TWNMRJCSUKFGRE-BZUAXINKSA-N 1 1 294.483 3.461 20 30 CGEDMO C#CC[N@H+](CC1COC(C)(C)OC1)[C@@H]1CCc2ccccc21 ZINC001209198420 813962736 /nfs/dbraw/zinc/96/27/36/813962736.db2.gz GWEMRYYIANIENT-GOSISDBHSA-N 1 1 299.414 3.008 20 30 CGEDMO C=CCCCC[N@H+]1Cc2nn(CC)cc2[C@H](COCC)C1 ZINC001209201138 813964879 /nfs/dbraw/zinc/96/48/79/813964879.db2.gz VMTGGQMZNQWRMP-HNNXBMFYSA-N 1 1 291.439 3.195 20 30 CGEDMO C=CCCCC[N@H+]1CC[C@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001209201472 813965271 /nfs/dbraw/zinc/96/52/71/813965271.db2.gz MWUOMZXRIHBIAU-NWDGAFQWSA-N 1 1 283.309 3.070 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@@H](CC(=O)OCC)C1 ZINC001209201872 813965436 /nfs/dbraw/zinc/96/54/36/813965436.db2.gz XKRCCNBHFDEESR-AWEZNQCLSA-N 1 1 253.386 3.008 20 30 CGEDMO C=CCCCC[N@@H+]1CCc2ccc(C(=O)OC)cc2C1 ZINC001209205351 813966112 /nfs/dbraw/zinc/96/61/12/813966112.db2.gz WNVPVSBJHQQPAP-UHFFFAOYSA-N 1 1 273.376 3.188 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@H](N2CCCCC2)[C@@H](F)C1 ZINC001209207691 813968541 /nfs/dbraw/zinc/96/85/41/813968541.db2.gz CAJBBCGMDFSEDM-HOTGVXAUSA-N 1 1 268.420 3.241 20 30 CGEDMO C=CCCCC[N@H+]1CC[C@H](N2CCCCC2)[C@@H](F)C1 ZINC001209207691 813968545 /nfs/dbraw/zinc/96/85/45/813968545.db2.gz CAJBBCGMDFSEDM-HOTGVXAUSA-N 1 1 268.420 3.241 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)CCCCC)C1 ZINC001209209333 813969640 /nfs/dbraw/zinc/96/96/40/813969640.db2.gz UNYYAACZTFSEHF-ARFHVFGLSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CCCC[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)CC[C@H]1C ZINC001209262623 813988304 /nfs/dbraw/zinc/98/83/04/813988304.db2.gz XHZQINMROVUPPI-HUUCEWRRSA-N 1 1 294.439 3.025 20 30 CGEDMO C#CCCC[N@@H+]1CC[C@@H](C(=O)OC)C[C@@H]1c1ccccc1 ZINC001209267580 813989871 /nfs/dbraw/zinc/98/98/71/813989871.db2.gz JSHSDRPIWBDIFD-IAGOWNOFSA-N 1 1 285.387 3.026 20 30 CGEDMO C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001209429208 814029506 /nfs/dbraw/zinc/02/95/06/814029506.db2.gz VSSXLDBTASFMIO-FRFSOERESA-N 1 1 270.376 3.057 20 30 CGEDMO C=CCCCCCC[N@@H+]1C[C@@H](C)C[C@H](C(=O)OC)C1 ZINC001209436410 814037280 /nfs/dbraw/zinc/03/72/80/814037280.db2.gz QTLGDUIZJSEYFN-GJZGRUSLSA-N 1 1 267.413 3.254 20 30 CGEDMO C=CCCCCCCC[N@H+]1CCN(C(C)=O)[C@H](C)C1 ZINC001209441681 814040269 /nfs/dbraw/zinc/04/02/69/814040269.db2.gz JKLYKURTHDFWOB-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCCCCCC[NH+]1C[C@H]2C[N@@H+](CCC)C[C@H]2C1 ZINC001209440910 814041589 /nfs/dbraw/zinc/04/15/89/814041589.db2.gz SACVSXMIAZRSGQ-CALCHBBNSA-N 1 1 264.457 3.397 20 30 CGEDMO C=CCCCCCC[N@@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001209440910 814041598 /nfs/dbraw/zinc/04/15/98/814041598.db2.gz SACVSXMIAZRSGQ-CALCHBBNSA-N 1 1 264.457 3.397 20 30 CGEDMO C=CCCCCCC[N@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001209440910 814041605 /nfs/dbraw/zinc/04/16/05/814041605.db2.gz SACVSXMIAZRSGQ-CALCHBBNSA-N 1 1 264.457 3.397 20 30 CGEDMO C=CCCCCCCCC[N@H+]1CCCO[C@@H](C(=O)OC)C1 ZINC001209446472 814046224 /nfs/dbraw/zinc/04/62/24/814046224.db2.gz ZSTWCWUDFIWLLD-MRXNPFEDSA-N 1 1 297.439 3.167 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CCO[C@H](C(=O)OCC)C1 ZINC001209444385 814046256 /nfs/dbraw/zinc/04/62/56/814046256.db2.gz PWVFSSDXWXIOQT-INIZCTEOSA-N 1 1 297.439 3.167 20 30 CGEDMO C=CCCCCCCCC[N@H+]1CCO[C@H](C(=O)OCC)C1 ZINC001209444385 814046265 /nfs/dbraw/zinc/04/62/65/814046265.db2.gz PWVFSSDXWXIOQT-INIZCTEOSA-N 1 1 297.439 3.167 20 30 CGEDMO C=CC[N@H+](Cc1c2ccccc2nn1C)C(C)(C)C ZINC001209539778 814078892 /nfs/dbraw/zinc/07/88/92/814078892.db2.gz PBNJYMSCADMCAL-UHFFFAOYSA-N 1 1 257.381 3.360 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(OC)c2F)C1 ZINC001209700462 814116479 /nfs/dbraw/zinc/11/64/79/814116479.db2.gz IHKZSOTZGTVHCN-NSHDSACASA-N 1 1 281.758 3.333 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(Cl)c(OC)c2F)C1 ZINC001209700462 814116486 /nfs/dbraw/zinc/11/64/86/814116486.db2.gz IHKZSOTZGTVHCN-NSHDSACASA-N 1 1 281.758 3.333 20 30 CGEDMO N#Cc1cc(Nc2ccc3[nH]c[nH+]c3c2)ccc1F ZINC001209848529 814167433 /nfs/dbraw/zinc/16/74/33/814167433.db2.gz NINKTTRWUAYLMV-UHFFFAOYSA-N 1 1 252.252 3.317 20 30 CGEDMO N#Cc1c(F)cc(F)cc1Nc1ccc2[nH]c[nH+]c2c1 ZINC001209851396 814169734 /nfs/dbraw/zinc/16/97/34/814169734.db2.gz SXBDVMDSAIZMOE-UHFFFAOYSA-N 1 1 270.242 3.456 20 30 CGEDMO N#Cc1ccccc1-c1ccc(CN2CCC([NH3+])CC2)cc1 ZINC001242716799 823110429 /nfs/dbraw/zinc/11/04/29/823110429.db2.gz GKLQWGYRKKAIGI-UHFFFAOYSA-N 1 1 291.398 3.148 20 30 CGEDMO COc1cccc(Nc2ccc3[nH+]c(C)cn3c2)c1C#N ZINC001210122666 814299541 /nfs/dbraw/zinc/29/95/41/814299541.db2.gz VUVGUJFFRPEUSE-UHFFFAOYSA-N 1 1 278.315 3.267 20 30 CGEDMO CC1(C)CC(=O)C=C(Nc2c[nH+]c3ccccn23)C1 ZINC001210149805 814312326 /nfs/dbraw/zinc/31/23/26/814312326.db2.gz OCJBVGNHRQUHSE-UHFFFAOYSA-N 1 1 255.321 3.019 20 30 CGEDMO Cc1cc(C#N)ccc1Nc1cc[nH+]cc1C(F)(F)F ZINC001210371298 814428099 /nfs/dbraw/zinc/42/80/99/814428099.db2.gz MXROZISKEXLVBG-UHFFFAOYSA-N 1 1 277.249 3.446 20 30 CGEDMO Cc1ccc(C#N)cc1Nc1cccc2[nH+]cn(C)c21 ZINC001210501964 814493502 /nfs/dbraw/zinc/49/35/02/814493502.db2.gz AZHWXAFKTHAEPP-UHFFFAOYSA-N 1 1 262.316 3.497 20 30 CGEDMO CCc1ccc(C)[nH+]c1Nc1ccc(O)c(C#N)c1 ZINC001210528331 814511031 /nfs/dbraw/zinc/51/10/31/814511031.db2.gz ZCSDFGBTBMWJFQ-UHFFFAOYSA-N 1 1 253.305 3.273 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)C(C)(C)C)C1 ZINC001210620702 814560399 /nfs/dbraw/zinc/56/03/99/814560399.db2.gz WBIHUQHMBPHHBK-QLFBSQMISA-N 1 1 280.456 3.071 20 30 CGEDMO Cc1cc(Nc2cccc3[nH+]cn(C)c32)ccc1C#N ZINC001210808348 814639195 /nfs/dbraw/zinc/63/91/95/814639195.db2.gz NQFPZBZQKRYLRF-UHFFFAOYSA-N 1 1 262.316 3.497 20 30 CGEDMO C=C[C@@H](CCCCCC)OCCCC[C@H]([NH3+])C(=O)OC ZINC001217896832 815996317 /nfs/dbraw/zinc/99/63/17/815996317.db2.gz TVJVRNLMOPGZDT-GJZGRUSLSA-N 1 1 285.428 3.199 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCCC)[C@@H]2C1 ZINC001221282621 816309782 /nfs/dbraw/zinc/30/97/82/816309782.db2.gz AUCQYHAKPYIKMN-ARFHVFGLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C(=C)C)[C@@H]2C1 ZINC001221730706 816323819 /nfs/dbraw/zinc/32/38/19/816323819.db2.gz OZADGSZWTRRZNK-HZPDHXFCSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C3(C)CCC3)[C@@H]2C1 ZINC001221735850 816324101 /nfs/dbraw/zinc/32/41/01/816324101.db2.gz ZATUIJHNTNFCNH-ARFHVFGLSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1C[C@H]2CC[N@@H+](CCC(C)C)C[C@H]21 ZINC001221754258 816325356 /nfs/dbraw/zinc/32/53/56/816325356.db2.gz GDMOSOYWPFUGJU-BRWVUGGUSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCCC(=O)N1C[C@H]2CC[N@H+](CC/C=C\CC)C[C@H]21 ZINC001221779821 816327737 /nfs/dbraw/zinc/32/77/37/816327737.db2.gz OBTPMPSPWXHROZ-BJESKFFQSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC(C)C)[C@@H]2C1 ZINC001221832346 816330090 /nfs/dbraw/zinc/33/00/90/816330090.db2.gz WYMXJIGCCRQVQD-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)CCC)[C@@H]2C1 ZINC001221900768 816334622 /nfs/dbraw/zinc/33/46/22/816334622.db2.gz WXPPYPNPBGUGSO-GVDBMIGSSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](CC)C(C)C)[C@@H]2C1 ZINC001221960622 816336735 /nfs/dbraw/zinc/33/67/35/816336735.db2.gz BFJUMBSLPGDYFR-BRWVUGGUSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCCC)C[C@@H]21 ZINC001222280154 816393743 /nfs/dbraw/zinc/39/37/43/816393743.db2.gz SLNKOLFBMFWNNR-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)CCC(C)C)CC1 ZINC001222342872 816412849 /nfs/dbraw/zinc/41/28/49/816412849.db2.gz RLSGQUJUULJYKQ-UHFFFAOYSA-N 1 1 286.847 3.003 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H](C)CCC)C[C@@H]21 ZINC001222411920 816437709 /nfs/dbraw/zinc/43/77/09/816437709.db2.gz LGKDCYMRQASFHQ-BBWFWOEESA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]2CC[N@H+](CC[C@@H](C)F)[C@H]2C1 ZINC001222789846 816518392 /nfs/dbraw/zinc/51/83/92/816518392.db2.gz OZCIKLNITNZVJP-OAGGEKHMSA-N 1 1 296.430 3.014 20 30 CGEDMO CCCCCCCCCCNC(=O)N1CC[NH+](CC)CC1 ZINC001223531242 816646057 /nfs/dbraw/zinc/64/60/57/816646057.db2.gz VZEZDRZHUVRRBJ-UHFFFAOYSA-N 1 1 297.487 3.474 20 30 CGEDMO C=C[C@@H](CCCCCCC)OCC[NH+]1CCN(C)CC1 ZINC001224550352 816826910 /nfs/dbraw/zinc/82/69/10/816826910.db2.gz UPLRKOQNQKTGBO-KRWDZBQOSA-N 1 1 282.472 3.166 20 30 CGEDMO C=CCC(C)(C)C(=O)NCC1CC[NH+](CC(=C)Cl)CC1 ZINC001224681839 816852770 /nfs/dbraw/zinc/85/27/70/816852770.db2.gz BHFIHUBDACXVGF-UHFFFAOYSA-N 1 1 298.858 3.169 20 30 CGEDMO N#CC1(CO[C@H]2[C@@H]3CC[C@H]2C[N@H+](Cc2ccccc2)C3)CC1 ZINC001224947560 816914493 /nfs/dbraw/zinc/91/44/93/816914493.db2.gz DYDGTJDUIPLFAX-PIIMJCKOSA-N 1 1 296.414 3.217 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H](Oc2cc(Cl)cc(C#N)c2)C1 ZINC001225698788 817146777 /nfs/dbraw/zinc/14/67/77/817146777.db2.gz ATDUUTWDIRSBON-AWEZNQCLSA-N 1 1 278.783 3.463 20 30 CGEDMO C[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2Cl)CC1 ZINC001225726716 817159057 /nfs/dbraw/zinc/15/90/57/817159057.db2.gz HIKWEYAUCBVWAT-GFCCVEGCSA-N 1 1 264.756 3.075 20 30 CGEDMO C#C[C@@H](CCCC)Oc1cc(N)[nH+]c2ccccc21 ZINC001226423354 817353733 /nfs/dbraw/zinc/35/37/33/817353733.db2.gz WDENYLCEXBPZPI-LBPRGKRZSA-N 1 1 254.333 3.388 20 30 CGEDMO Cc1c(C#N)c(O[C@@H]2CCC[N@H+](C)CC2)nc2ccccc12 ZINC001226445597 817359296 /nfs/dbraw/zinc/35/92/96/817359296.db2.gz VIYRBFNZVCHXTM-CQSZACIVSA-N 1 1 295.386 3.278 20 30 CGEDMO CC[N@H+]1CCC[C@@H](Oc2c(C)cc(C#N)cc2C)C1 ZINC001226526208 817386522 /nfs/dbraw/zinc/38/65/22/817386522.db2.gz IZETYUBILOEWIP-OAHLLOKOSA-N 1 1 258.365 3.038 20 30 CGEDMO N#Cc1ccc2cc(O[C@H]3CCc4[nH+]ccn4C3)ccc2c1 ZINC001226815586 817473264 /nfs/dbraw/zinc/47/32/64/817473264.db2.gz MKMKXGPMLURILX-KRWDZBQOSA-N 1 1 289.338 3.302 20 30 CGEDMO C=CCCCCCCNC(=O)N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001228040689 817793013 /nfs/dbraw/zinc/79/30/13/817793013.db2.gz MAKNVCMDOUDUDN-CVEARBPZSA-N 1 1 295.471 3.247 20 30 CGEDMO CC(=O)/C=C/c1ccc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001228496803 817922985 /nfs/dbraw/zinc/92/29/85/817922985.db2.gz PCWGXRHWIWBUIJ-NGUCLKFSSA-N 1 1 285.387 3.293 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H](C)CCC ZINC001231140237 818042334 /nfs/dbraw/zinc/04/23/34/818042334.db2.gz VGCAYGXPKCJRGW-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1CCCC1CCC1 ZINC001231169575 818050650 /nfs/dbraw/zinc/05/06/50/818050650.db2.gz JIMAATBFCFVOAJ-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H](C)C(C)C ZINC001231179924 818054970 /nfs/dbraw/zinc/05/49/70/818054970.db2.gz XTFNEZNQHMXRAO-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)c1sccc1C ZINC001231285423 818069177 /nfs/dbraw/zinc/06/91/77/818069177.db2.gz BYAZIWQAHMIAJZ-CQSZACIVSA-N 1 1 294.464 3.463 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](CCC)CCOC)c1 ZINC001231621077 818138580 /nfs/dbraw/zinc/13/85/80/818138580.db2.gz OCZWUQTYZDHGMP-UHFFFAOYSA-N 1 1 263.381 3.110 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+]1CCCC[C@](C)(F)C1 ZINC001231616739 818138844 /nfs/dbraw/zinc/13/88/44/818138844.db2.gz IYFUQMAGTPQDJI-INIZCTEOSA-N 1 1 276.355 3.281 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCCC[C@](C)(F)C1 ZINC001231616739 818138846 /nfs/dbraw/zinc/13/88/46/818138846.db2.gz IYFUQMAGTPQDJI-INIZCTEOSA-N 1 1 276.355 3.281 20 30 CGEDMO C#CC[NH+](CC#C)Cc1cc(C(C)C)c(OC)cc1C ZINC001231627261 818140830 /nfs/dbraw/zinc/14/08/30/818140830.db2.gz AFIDHDINJNCYAH-UHFFFAOYSA-N 1 1 269.388 3.195 20 30 CGEDMO COc1cccc2c(C[N@@H+]3[C@@H]4CC[C@H]3C[C@H](C#N)C4)c[nH]c21 ZINC001231899407 818206972 /nfs/dbraw/zinc/20/69/72/818206972.db2.gz NSGQHKUPKHVKJA-XMQYKBBCSA-N 1 1 295.386 3.443 20 30 CGEDMO CSCC[N@@H+](C)Cc1ccc(C#N)c(Cl)c1 ZINC001232117931 818259734 /nfs/dbraw/zinc/25/97/34/818259734.db2.gz IGAGYTOWTRRJAH-UHFFFAOYSA-N 1 1 254.786 3.006 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccnc(C(F)(F)F)c1 ZINC001232240701 818290761 /nfs/dbraw/zinc/29/07/61/818290761.db2.gz OGHAOUGEQKVNBC-UHFFFAOYSA-N 1 1 258.287 3.498 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1cc(Cl)c(O)cc1O ZINC001232261815 818294970 /nfs/dbraw/zinc/29/49/70/818294970.db2.gz PSWRHJPYBHIIAL-UHFFFAOYSA-N 1 1 282.771 3.267 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1cc(Cl)c(O)cc1O ZINC001232261815 818294980 /nfs/dbraw/zinc/29/49/80/818294980.db2.gz PSWRHJPYBHIIAL-UHFFFAOYSA-N 1 1 282.771 3.267 20 30 CGEDMO C=CC[N@@H+](Cc1[nH]nc2c1CCC2)C1CCCCC1 ZINC001232430212 818348799 /nfs/dbraw/zinc/34/87/99/818348799.db2.gz RLWRPQOFPWIQLZ-UHFFFAOYSA-N 1 1 259.397 3.219 20 30 CGEDMO Fc1ccnc(C[NH+]2CCC(C#Cc3ccccc3)CC2)c1 ZINC001232498632 818373324 /nfs/dbraw/zinc/37/33/24/818373324.db2.gz JBLBMNREUQPBNR-UHFFFAOYSA-N 1 1 294.373 3.484 20 30 CGEDMO N#Cc1ccc([O-])c(C[N@H+]2CC[C@H](c3ccccc3F)C2)c1 ZINC001232679227 818417167 /nfs/dbraw/zinc/41/71/67/818417167.db2.gz HLGMTOQNRVGQQT-AWEZNQCLSA-N 1 1 296.345 3.392 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](C(=O)c3ccccc3)C2)s1 ZINC001232844993 818454408 /nfs/dbraw/zinc/45/44/08/818454408.db2.gz IHSXHIHNSDQNIU-CQSZACIVSA-N 1 1 296.395 3.325 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](C(=O)c3ccccc3)C2)s1 ZINC001232844993 818454414 /nfs/dbraw/zinc/45/44/14/818454414.db2.gz IHSXHIHNSDQNIU-CQSZACIVSA-N 1 1 296.395 3.325 20 30 CGEDMO N#CCC1C[NH+](Cc2cncc(-c3ccccc3)c2)C1 ZINC001232897820 818466791 /nfs/dbraw/zinc/46/67/91/818466791.db2.gz UZJFIVUOLQVQDI-UHFFFAOYSA-N 1 1 263.344 3.094 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001232889742 818467210 /nfs/dbraw/zinc/46/72/10/818467210.db2.gz OPRYHZYNSPISCM-RISCZKNCSA-N 1 1 280.293 3.174 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001232889742 818467215 /nfs/dbraw/zinc/46/72/15/818467215.db2.gz OPRYHZYNSPISCM-RISCZKNCSA-N 1 1 280.293 3.174 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCC[C@@H](C(F)F)C2)c(C#N)c1 ZINC001232966139 818485263 /nfs/dbraw/zinc/48/52/63/818485263.db2.gz GSRQXBPJZLUUKC-CYBMUJFWSA-N 1 1 264.319 3.344 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@@H](C(F)F)C2)c(C#N)c1 ZINC001232966139 818485267 /nfs/dbraw/zinc/48/52/67/818485267.db2.gz GSRQXBPJZLUUKC-CYBMUJFWSA-N 1 1 264.319 3.344 20 30 CGEDMO Cc1ccc(C[N@H+](C)Cc2cccc(C#N)c2)c(C#N)c1 ZINC001232968561 818485537 /nfs/dbraw/zinc/48/55/37/818485537.db2.gz JPGCULFBZZBYCD-UHFFFAOYSA-N 1 1 275.355 3.370 20 30 CGEDMO Cc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)c(C#N)c1 ZINC001232968561 818485542 /nfs/dbraw/zinc/48/55/42/818485542.db2.gz JPGCULFBZZBYCD-UHFFFAOYSA-N 1 1 275.355 3.370 20 30 CGEDMO Cc1ccc(C[N@H+](C)C[C@H]2Cc3ccccc3O2)c(C#N)c1 ZINC001232968338 818485820 /nfs/dbraw/zinc/48/58/20/818485820.db2.gz HTEIDDHLYISAOC-GOSISDBHSA-N 1 1 292.382 3.302 20 30 CGEDMO Cc1ccc(C[N@@H+](C)C[C@H]2Cc3ccccc3O2)c(C#N)c1 ZINC001232968338 818485827 /nfs/dbraw/zinc/48/58/27/818485827.db2.gz HTEIDDHLYISAOC-GOSISDBHSA-N 1 1 292.382 3.302 20 30 CGEDMO COCC[C@@H]1CCCC[N@H+]1Cc1ccc(C)cc1C#N ZINC001232966283 818486078 /nfs/dbraw/zinc/48/60/78/818486078.db2.gz JTTUKJVJCOYBCS-KRWDZBQOSA-N 1 1 272.392 3.258 20 30 CGEDMO C=CC[N@H+](Cc1cncc(Cl)n1)C1CCCCC1 ZINC001233451045 818623625 /nfs/dbraw/zinc/62/36/25/818623625.db2.gz UOMNMRDIFMKDMW-UHFFFAOYSA-N 1 1 265.788 3.451 20 30 CGEDMO N#CC[C@H](Oc1ccc2[nH+]ccn2c1)c1ccccc1 ZINC001233754977 818697802 /nfs/dbraw/zinc/69/78/02/818697802.db2.gz NPDVQRUSNLOFFA-HNNXBMFYSA-N 1 1 263.300 3.368 20 30 CGEDMO CCCCCCC[N@@H+](C)CCCNC(=O)c1cc(C)no1 ZINC001233873940 818722238 /nfs/dbraw/zinc/72/22/38/818722238.db2.gz MKYIMMCLMOHVJZ-UHFFFAOYSA-N 1 1 295.427 3.005 20 30 CGEDMO CC(C)CCC[N@H+]1CC[C@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234206383 818801382 /nfs/dbraw/zinc/80/13/82/818801382.db2.gz PCKITLZQIZADAY-INIZCTEOSA-N 1 1 292.467 3.005 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)C1(C)CC1 ZINC001234464305 818861267 /nfs/dbraw/zinc/86/12/67/818861267.db2.gz AMWZOZGPXYLPTM-HNNXBMFYSA-N 1 1 280.456 3.290 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCCC(C)(C)C ZINC001234510276 818869746 /nfs/dbraw/zinc/86/97/46/818869746.db2.gz WKDDXSNDLZYYHL-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC(C)(C)CC(=O)N(C)C[C@H]1CC[N@@H+]1C[C@H](C)CC ZINC001234536677 818877020 /nfs/dbraw/zinc/87/70/20/818877020.db2.gz GQGVQOQSTGOXBD-HUUCEWRRSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CC(C)(C)C=C ZINC001234537807 818877636 /nfs/dbraw/zinc/87/76/36/818877636.db2.gz QZUHLIVVOPNRDB-HZPDHXFCSA-N 1 1 292.467 3.476 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N(C)C[C@H]1CC[N@H+]1CCC1CC1 ZINC001234554717 818881643 /nfs/dbraw/zinc/88/16/43/818881643.db2.gz MRIUKKFIXYMOKP-CQSZACIVSA-N 1 1 298.858 3.098 20 30 CGEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cnc3ccccc3c1C#N)C2 ZINC001234855325 818935378 /nfs/dbraw/zinc/93/53/78/818935378.db2.gz TXEUVVWWPBZYLH-BTTYYORXSA-N 1 1 293.370 3.110 20 30 CGEDMO CC(C)c1c(C#N)cccc1OC1CC[NH+](CCF)CC1 ZINC001234857749 818936896 /nfs/dbraw/zinc/93/68/96/818936896.db2.gz YXQJZBPCGMDERY-UHFFFAOYSA-N 1 1 290.382 3.494 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1ccc(-c2nnc(C)o2)cc1 ZINC001235053197 818991492 /nfs/dbraw/zinc/99/14/92/818991492.db2.gz XJDFIDZQFPVKAQ-UHFFFAOYSA-N 1 1 284.363 3.171 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1ccc(-c2nnc(C)o2)cc1 ZINC001235053197 818991497 /nfs/dbraw/zinc/99/14/97/818991497.db2.gz XJDFIDZQFPVKAQ-UHFFFAOYSA-N 1 1 284.363 3.171 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001235216846 819039225 /nfs/dbraw/zinc/03/92/25/819039225.db2.gz DMQRUQGZGXLMCU-ZWKOTPCHSA-N 1 1 270.420 3.304 20 30 CGEDMO C=CCCCCCN1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001235216846 819039230 /nfs/dbraw/zinc/03/92/30/819039230.db2.gz DMQRUQGZGXLMCU-ZWKOTPCHSA-N 1 1 270.420 3.304 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cc3cccc(F)c3[nH]2)C1 ZINC001235245420 819046720 /nfs/dbraw/zinc/04/67/20/819046720.db2.gz HHQPEVCHISMSOH-LBPRGKRZSA-N 1 1 271.339 3.433 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2cc3cccc(F)c3[nH]2)C1 ZINC001235245420 819046726 /nfs/dbraw/zinc/04/67/26/819046726.db2.gz HHQPEVCHISMSOH-LBPRGKRZSA-N 1 1 271.339 3.433 20 30 CGEDMO C=CCCCCCCCCN1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001235255176 819051573 /nfs/dbraw/zinc/05/15/73/819051573.db2.gz CZDGMESBVJWNPA-CVEARBPZSA-N 1 1 250.430 3.197 20 30 CGEDMO C=CCCC[N@H+](C)CCCNC(=O)C[C@@H](C)CCC ZINC001235353050 819076543 /nfs/dbraw/zinc/07/65/43/819076543.db2.gz ZWTVDFXFWOWUAU-HNNXBMFYSA-N 1 1 268.445 3.217 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(F)c(F)c(OC)c1 ZINC001235451752 819102237 /nfs/dbraw/zinc/10/22/37/819102237.db2.gz SACYRAVRJVJDAX-UHFFFAOYSA-N 1 1 255.308 3.371 20 30 CGEDMO C=CCCC(=O)NCCC[N@H+](C)CCCc1ccccc1 ZINC001235463763 819104819 /nfs/dbraw/zinc/10/48/19/819104819.db2.gz CSRLRSMXLPPRTH-UHFFFAOYSA-N 1 1 288.435 3.024 20 30 CGEDMO C[C@]1(F)CCC[N@@H+](Cc2ccccc2CC#N)CC1 ZINC001235510455 819112494 /nfs/dbraw/zinc/11/24/94/819112494.db2.gz BFALFYKPTHPDKN-INIZCTEOSA-N 1 1 260.356 3.467 20 30 CGEDMO COc1ccc(C[N@@H+](C)Cc2ccccc2CC#N)cc1 ZINC001235514972 819112805 /nfs/dbraw/zinc/11/28/05/819112805.db2.gz NFRUTHRKXCAOTF-UHFFFAOYSA-N 1 1 280.371 3.393 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)CCCNC(=O)C[C@H](C)C(C)C ZINC001235543699 819120480 /nfs/dbraw/zinc/12/04/80/819120480.db2.gz DCNCLOFJJUCCOK-HOTGVXAUSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)CCCNC(=O)C[C@H](C)C(C)C ZINC001235543701 819120498 /nfs/dbraw/zinc/12/04/98/819120498.db2.gz DCNCLOFJJUCCOK-JKSUJKDBSA-N 1 1 282.472 3.461 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](Cc2ccccc2-c2ccncc2)C1 ZINC001235624537 819128135 /nfs/dbraw/zinc/12/81/35/819128135.db2.gz YPLDNGYJHJHRCK-GOSISDBHSA-N 1 1 277.371 3.484 20 30 CGEDMO C[C@@H]1CCCC[N@@H+]1Cc1c(F)cc(C#N)cc1F ZINC001235650288 819130703 /nfs/dbraw/zinc/13/07/03/819130703.db2.gz OVMHEPMMGMHSBR-SNVBAGLBSA-N 1 1 250.292 3.211 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1Cc1c(F)cc(C#N)cc1F ZINC001235650288 819130709 /nfs/dbraw/zinc/13/07/09/819130709.db2.gz OVMHEPMMGMHSBR-SNVBAGLBSA-N 1 1 250.292 3.211 20 30 CGEDMO C[N@@H+](Cc1c(F)cc(C#N)cc1F)C[C@@H]1CC1(C)C ZINC001235663878 819132111 /nfs/dbraw/zinc/13/21/11/819132111.db2.gz LVHMAAGSZDQQIA-NSHDSACASA-N 1 1 264.319 3.314 20 30 CGEDMO C[N@H+](Cc1c(F)cc(C#N)cc1F)C[C@@H]1CC1(C)C ZINC001235663878 819132115 /nfs/dbraw/zinc/13/21/15/819132115.db2.gz LVHMAAGSZDQQIA-NSHDSACASA-N 1 1 264.319 3.314 20 30 CGEDMO CCC(CC)[N@@H+](C)Cc1c(F)cc(C#N)cc1F ZINC001235664464 819132667 /nfs/dbraw/zinc/13/26/67/819132667.db2.gz OTYQZBMHAJONPQ-UHFFFAOYSA-N 1 1 252.308 3.457 20 30 CGEDMO CCc1cc(CN(C[C@@H]2CCC[NH2+]C2)C2CC2)ccc1C#N ZINC001236605440 819550540 /nfs/dbraw/zinc/55/05/40/819550540.db2.gz NNQPFDRJIPWVHN-MRXNPFEDSA-N 1 1 297.446 3.085 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c(O)c1 ZINC001236706058 819576841 /nfs/dbraw/zinc/57/68/41/819576841.db2.gz RQDPNQKSNXOLCW-UHFFFAOYSA-N 1 1 270.307 3.035 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236837101 819616827 /nfs/dbraw/zinc/61/68/27/819616827.db2.gz NPWQLEIQSIOEBB-KRWDZBQOSA-N 1 1 266.344 3.281 20 30 CGEDMO N#CCC1C[NH+](Cc2ccc(-c3ccc(F)cc3F)nc2)C1 ZINC001237011526 819644130 /nfs/dbraw/zinc/64/41/30/819644130.db2.gz LNSFMPQHLOEUDY-UHFFFAOYSA-N 1 1 299.324 3.372 20 30 CGEDMO N#Cc1ccc(CCC[N@H+](C2CCC2)[C@H]2CCCNC2)cc1 ZINC001237144634 819678809 /nfs/dbraw/zinc/67/88/09/819678809.db2.gz KTFUIIZMMZVBMH-IBGZPJMESA-N 1 1 297.446 3.097 20 30 CGEDMO N#Cc1ccc(CCC[N@@H+](C2CCC2)[C@H]2CCCNC2)cc1 ZINC001237144634 819678811 /nfs/dbraw/zinc/67/88/11/819678811.db2.gz KTFUIIZMMZVBMH-IBGZPJMESA-N 1 1 297.446 3.097 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCSc3ccccc3C2)ccn1 ZINC001237468693 819759469 /nfs/dbraw/zinc/75/94/69/819759469.db2.gz KHTPLXORFOYLFK-UHFFFAOYSA-N 1 1 281.384 3.061 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCSc3ccccc3C2)ccn1 ZINC001237468693 819759475 /nfs/dbraw/zinc/75/94/75/819759475.db2.gz KHTPLXORFOYLFK-UHFFFAOYSA-N 1 1 281.384 3.061 20 30 CGEDMO CC[C@@H]1CC[N@@H+](Cc2cn(C)c3ccc(C#N)cc23)C1 ZINC001237472990 819759714 /nfs/dbraw/zinc/75/97/14/819759714.db2.gz XSFDQFXYVBLEIO-CYBMUJFWSA-N 1 1 267.376 3.282 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC23CCCC3)c(F)cc1F ZINC001237525319 819772189 /nfs/dbraw/zinc/77/21/89/819772189.db2.gz QXQVTDQDTUSNSB-UHFFFAOYSA-N 1 1 262.303 3.355 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC23CCCC3)c(F)cc1F ZINC001237525319 819772192 /nfs/dbraw/zinc/77/21/92/819772192.db2.gz QXQVTDQDTUSNSB-UHFFFAOYSA-N 1 1 262.303 3.355 20 30 CGEDMO N#CC1CC[NH+](Cc2ccc3ncnc(Cl)c3c2)CC1 ZINC001237592619 819784239 /nfs/dbraw/zinc/78/42/39/819784239.db2.gz QTIIJBWNGLHEHM-UHFFFAOYSA-N 1 1 286.766 3.019 20 30 CGEDMO CC[N@H+](CCC#N)Cc1cccc2nccc(C)c12 ZINC001237632852 819793373 /nfs/dbraw/zinc/79/33/73/819793373.db2.gz JVIHSDSLVKZDLC-UHFFFAOYSA-N 1 1 253.349 3.279 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1cccc2nccc(C)c12 ZINC001237632852 819793376 /nfs/dbraw/zinc/79/33/76/819793376.db2.gz JVIHSDSLVKZDLC-UHFFFAOYSA-N 1 1 253.349 3.279 20 30 CGEDMO CCc1[nH]ncc1C[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC001237650894 819799847 /nfs/dbraw/zinc/79/98/47/819799847.db2.gz KNGYEEHCPKUBPR-UHFFFAOYSA-N 1 1 294.402 3.223 20 30 CGEDMO CC1(C)[C@@H]2C[N@H+](Cc3cc(Cl)cc(C#N)c3)C[C@@H]21 ZINC001237751380 819835247 /nfs/dbraw/zinc/83/52/47/819835247.db2.gz JEXNPIWFRXSVJW-OKILXGFUSA-N 1 1 260.768 3.299 20 30 CGEDMO N#CCC[N@H+](Cc1cccc2c1OCC2)C1CCCC1 ZINC001237751785 819835575 /nfs/dbraw/zinc/83/55/75/819835575.db2.gz XXEGJFGIWKVAOS-UHFFFAOYSA-N 1 1 270.376 3.280 20 30 CGEDMO N#CCC[N@@H+](Cc1cccc2c1OCC2)C1CCCC1 ZINC001237751785 819835585 /nfs/dbraw/zinc/83/55/85/819835585.db2.gz XXEGJFGIWKVAOS-UHFFFAOYSA-N 1 1 270.376 3.280 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1ccc(OC)nc1Cl ZINC001237797900 819842746 /nfs/dbraw/zinc/84/27/46/819842746.db2.gz VISLQTUZZSFPBM-UHFFFAOYSA-N 1 1 254.761 3.142 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(OC)nc1Cl ZINC001237797900 819842752 /nfs/dbraw/zinc/84/27/52/819842752.db2.gz VISLQTUZZSFPBM-UHFFFAOYSA-N 1 1 254.761 3.142 20 30 CGEDMO N#CCC1CC[NH+](Cc2cc(F)c(Cl)cc2O)CC1 ZINC001237935992 819887069 /nfs/dbraw/zinc/88/70/69/819887069.db2.gz HUEPBQGHMLRHOX-UHFFFAOYSA-N 1 1 282.746 3.310 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CCC[C@@]1(C)O ZINC001238081920 819927260 /nfs/dbraw/zinc/92/72/60/819927260.db2.gz COJJMPSNDFXMTD-MLGOLLRUSA-N 1 1 292.810 3.195 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cncc(C2CC2)c1 ZINC001238184889 819949439 /nfs/dbraw/zinc/94/94/39/819949439.db2.gz MEWKZTRVDPZPMS-UHFFFAOYSA-N 1 1 277.371 3.463 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cccc(-c2cc[nH]n2)c1 ZINC001238209430 819958088 /nfs/dbraw/zinc/95/80/88/819958088.db2.gz ZSAOOHSKTMVIDU-UHFFFAOYSA-N 1 1 255.365 3.475 20 30 CGEDMO CC(C)Oc1cc(C[NH+]2CCC(C#N)CC2)ccc1F ZINC001238465686 820011027 /nfs/dbraw/zinc/01/10/27/820011027.db2.gz VKSHESRVRGHWSE-UHFFFAOYSA-N 1 1 276.355 3.348 20 30 CGEDMO C=CC[NH+]1CCN(Cc2ccc(C(C)C)nc2Cl)CC1 ZINC001238727042 820102900 /nfs/dbraw/zinc/10/29/00/820102900.db2.gz LZVMLOSCRBCNAG-UHFFFAOYSA-N 1 1 293.842 3.162 20 30 CGEDMO CCc1cc(C[N@H+]2CCCC[C@@H](F)C2)ccc1C#N ZINC001238766533 820111699 /nfs/dbraw/zinc/11/16/99/820111699.db2.gz OPNBHIVHVKDNQI-MRXNPFEDSA-N 1 1 260.356 3.445 20 30 CGEDMO CCc1cc(C[N@H+]2CC[C@]3(C2)CCCOC3)ccc1C#N ZINC001238768096 820113698 /nfs/dbraw/zinc/11/36/98/820113698.db2.gz FNTHZPYXRDUFNJ-SFHVURJKSA-N 1 1 284.403 3.123 20 30 CGEDMO C=CC[NH+]1CCN(Cc2cc(F)cc(C)c2Cl)CC1 ZINC001238788014 820123506 /nfs/dbraw/zinc/12/35/06/820123506.db2.gz UNYNWDZHHROESD-UHFFFAOYSA-N 1 1 282.790 3.091 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2cnc(OC)nc2)cc1 ZINC001239849697 820656189 /nfs/dbraw/zinc/65/61/89/820656189.db2.gz UPSJNJOAULOOQZ-QGZVFWFLSA-N 1 1 295.386 3.475 20 30 CGEDMO N#CCc1cncc(C2=CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001240388296 821012049 /nfs/dbraw/zinc/01/20/49/821012049.db2.gz HWPDAOIKUJCNDR-UHFFFAOYSA-N 1 1 289.382 3.437 20 30 CGEDMO Cc1[nH+]ccn1-c1cc(-c2cc(Cl)cc(C#N)c2)ncn1 ZINC001242567304 823037249 /nfs/dbraw/zinc/03/72/49/823037249.db2.gz IPOZAFPDYAHFPQ-UHFFFAOYSA-N 1 1 295.733 3.163 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC001338649737 936329565 /nfs/dbraw/zinc/32/95/65/936329565.db2.gz RXOMZOGNBHLGKI-CJNGLKHVSA-N 1 1 263.356 3.206 20 30 CGEDMO N#Cc1cc(Cl)nc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC001339769311 936384395 /nfs/dbraw/zinc/38/43/95/936384395.db2.gz ICYOOXXAEJFWKD-STQMWFEESA-N 1 1 290.798 3.035 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C#N)cc1C1CC1 ZINC001340882035 936417804 /nfs/dbraw/zinc/41/78/04/936417804.db2.gz NKZSXENNWIISDL-KRWDZBQOSA-N 1 1 297.402 3.247 20 30 CGEDMO C=C[C@H](CC)CC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC001341044257 936425109 /nfs/dbraw/zinc/42/51/09/936425109.db2.gz KYMUYYITLDVSEG-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO CC#CC[N@@H+](C)CCc1ccc(OC(F)(F)F)cc1 ZINC001343901968 936518160 /nfs/dbraw/zinc/51/81/60/936518160.db2.gz JYKRQSJONLQPNY-UHFFFAOYSA-N 1 1 271.282 3.083 20 30 CGEDMO CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1cc(C)cc(C#N)c1 ZINC001344517925 936536885 /nfs/dbraw/zinc/53/68/85/936536885.db2.gz LORQSBUMBUJYHM-MRXNPFEDSA-N 1 1 285.391 3.070 20 30 CGEDMO C#Cc1ccc(N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nc1 ZINC001348084783 936909868 /nfs/dbraw/zinc/90/98/68/936909868.db2.gz TZMYDBMNPKROJQ-HOCLYGCPSA-N 1 1 283.419 3.128 20 30 CGEDMO C#Cc1ccc(N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nc1 ZINC001348084786 936909936 /nfs/dbraw/zinc/90/99/36/936909936.db2.gz TZMYDBMNPKROJQ-ZBFHGGJFSA-N 1 1 283.419 3.128 20 30 CGEDMO Cc1[nH+]ccn1CCNc1cc(C#N)ccc1C(F)(F)F ZINC001348291533 936916376 /nfs/dbraw/zinc/91/63/76/936916376.db2.gz LOYPYMYZLMNCKU-UHFFFAOYSA-N 1 1 294.280 3.194 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCN(C(=O)/C(C)=C/CC)C1 ZINC001480073834 937012475 /nfs/dbraw/zinc/01/24/75/937012475.db2.gz XMTACVMDZCHMKT-MYWXAZLQSA-N 1 1 298.858 3.266 20 30 CGEDMO C[N@H+]1C[C@@H]2CC[C@H](Nc3cccc(C(F)F)c3C#N)[C@@H]2C1 ZINC001354394268 937100705 /nfs/dbraw/zinc/10/07/05/937100705.db2.gz GPXGLJVUBWREHF-ZBINZKHDSA-N 1 1 291.345 3.248 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)CCC1CCCCC1 ZINC001481014922 926861834 /nfs/dbraw/zinc/86/18/34/926861834.db2.gz FILQNIIYICJUJR-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)C=C1CCCCC1 ZINC001481028710 926866010 /nfs/dbraw/zinc/86/60/10/926866010.db2.gz NSFRSVGKOSEKGM-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](CNC(=O)C2CC=CC2)C1 ZINC001481088902 926884142 /nfs/dbraw/zinc/88/41/42/926884142.db2.gz JIBMXDCDZCEFAS-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1CC[N@H+](CC2CC(C)C2)C1 ZINC001481105571 926886058 /nfs/dbraw/zinc/88/60/58/926886058.db2.gz KZEXUUKUFCMBHN-PCKAHOCUSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)C2(C)CCCCC2)C1 ZINC001481109809 926887366 /nfs/dbraw/zinc/88/73/66/926887366.db2.gz VCPKNWGGBNMXGL-CQSZACIVSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)C2(C)CCCCC2)C1 ZINC001481109809 926887380 /nfs/dbraw/zinc/88/73/80/926887380.db2.gz VCPKNWGGBNMXGL-CQSZACIVSA-N 1 1 298.858 3.147 20 30 CGEDMO CC#CC[N@@H+](CCC)CCNC(=O)c1cccc(C2CC2)c1 ZINC001481154951 926896125 /nfs/dbraw/zinc/89/61/25/926896125.db2.gz OVKMPTWTFFUHIZ-UHFFFAOYSA-N 1 1 298.430 3.029 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](N(CCC)C(=O)C(C)(C)F)C1 ZINC001481387748 926972538 /nfs/dbraw/zinc/97/25/38/926972538.db2.gz CUZQQEYHQUIHTH-GJZGRUSLSA-N 1 1 298.446 3.402 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCCC2(C)C)C1 ZINC001481448599 926987786 /nfs/dbraw/zinc/98/77/86/926987786.db2.gz ZJTGNTHZUAQZCC-JKSUJKDBSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc3ccccc3o2)C1 ZINC001481503858 927006379 /nfs/dbraw/zinc/00/63/79/927006379.db2.gz SSHQLWXXMZFQRS-AWEZNQCLSA-N 1 1 298.386 3.013 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)CC1CCN(C(=O)/C(C)=C\C)CC1 ZINC001481513172 927009461 /nfs/dbraw/zinc/00/94/61/927009461.db2.gz JJTIWZCLKMMQDU-UJPCXNRSSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCCCC(=O)N1CCC(C[N@H+](C)CC[C@H](C)F)CC1 ZINC001481518125 927010962 /nfs/dbraw/zinc/01/09/62/927010962.db2.gz HXGSAICEKKZBLW-HNNXBMFYSA-N 1 1 298.446 3.261 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CCC[N@H+](CCCC)C2)CCC1 ZINC001481537838 927019681 /nfs/dbraw/zinc/01/96/81/927019681.db2.gz FMTNQLHCOQZOED-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC(C)(C)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC/C=C/CC ZINC001481671448 927051486 /nfs/dbraw/zinc/05/14/86/927051486.db2.gz QBJRYCZJBMLMSE-HABDOHHLSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCCCC ZINC001481679062 927056038 /nfs/dbraw/zinc/05/60/38/927056038.db2.gz WNAWECAMLNTWGR-HOTGVXAUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)c2coc(C)c2)C1 ZINC001481687368 927058074 /nfs/dbraw/zinc/05/80/74/927058074.db2.gz DAUNYNYLASVTOT-INIZCTEOSA-N 1 1 290.407 3.139 20 30 CGEDMO C=CCCC(=O)N(CC)[C@@H]1CC[N@H+](CCCCC)C1 ZINC001481762034 927083658 /nfs/dbraw/zinc/08/36/58/927083658.db2.gz QOKPZJPOMXDNLU-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO CCC(CC)C[N@H+]1CC[C@@H](N(CC)C(=O)C#CC(C)C)C1 ZINC001481766853 927084747 /nfs/dbraw/zinc/08/47/47/927084747.db2.gz RCVNGYLKSJWMHA-QGZVFWFLSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)C1CC(C(C)(C)C)C1 ZINC001498464461 927146849 /nfs/dbraw/zinc/14/68/49/927146849.db2.gz IFFGXPUPLYGHME-WLYUNCDWSA-N 1 1 280.456 3.071 20 30 CGEDMO C=C(C)C[N@@H+](C)CCC1CCN(C(=O)C(C)(C)C)CC1 ZINC001482507851 927273089 /nfs/dbraw/zinc/27/30/89/927273089.db2.gz IBHUQGJOUXAAST-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO CC[N@H+]1CC[C@@H](Oc2ccc(C#N)cc2C(C)(C)C)C1 ZINC001228995970 927315834 /nfs/dbraw/zinc/31/58/34/927315834.db2.gz JSCIDJVJVLCETL-CQSZACIVSA-N 1 1 272.392 3.329 20 30 CGEDMO C=CC(C)(C)CC(=O)N(C)CC[N@@H+](C)CC1=CCCCC1 ZINC001482599409 927319118 /nfs/dbraw/zinc/31/91/18/927319118.db2.gz WDBNYEIMCOBGGR-UHFFFAOYSA-N 1 1 292.467 3.479 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N(C)CC[N@@H+](C)CC1CC(C)(C)C1 ZINC001482617923 927326873 /nfs/dbraw/zinc/32/68/73/927326873.db2.gz XMFFLYHXYNJPFS-UHFFFAOYSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CC1(CC(=O)N(C)CC[N@H+](C)C(C)C)CCCCC1 ZINC001482634316 927332706 /nfs/dbraw/zinc/33/27/06/927332706.db2.gz CRBAHECVONELKR-UHFFFAOYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC(C)(C)C(=O)N(C)CC[N@H+](C)C[C@H](C)CC ZINC001482630797 927334008 /nfs/dbraw/zinc/33/40/08/927334008.db2.gz AMADXYNXVPPYIB-CQSZACIVSA-N 1 1 268.445 3.025 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CCC2CC2)C1 ZINC001482659599 927339842 /nfs/dbraw/zinc/33/98/42/927339842.db2.gz PMJDJWVZOXIZBS-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)CC ZINC001483377831 927493895 /nfs/dbraw/zinc/49/38/95/927493895.db2.gz GZGYZXHCOWCOQE-ZIAGYGMSSA-N 1 1 268.445 3.214 20 30 CGEDMO C=CC[C@@H](C)[N@@H+](CC)Cc1ccc(OC)cc1OC ZINC001307433303 927531268 /nfs/dbraw/zinc/53/12/68/927531268.db2.gz HQVCYSNOQGDTAC-CYBMUJFWSA-N 1 1 263.381 3.490 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)C1(CC=C)CCC1 ZINC001483676329 927566637 /nfs/dbraw/zinc/56/66/37/927566637.db2.gz BUAWTFUEMVZXRF-HOTGVXAUSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H](CC)CC1CCCC1 ZINC001483692934 927578788 /nfs/dbraw/zinc/57/87/88/927578788.db2.gz BOWGURDSGCRVGR-SJORKVTESA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)CCCC(C)C)C2)C1 ZINC001483846893 927634044 /nfs/dbraw/zinc/63/40/44/927634044.db2.gz DCZBOPGXBQLGLO-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO CC#CCCCC(=O)N[C@]1(C)CC[N@@H+](CCC(C)(C)C)C1 ZINC001484055277 927668706 /nfs/dbraw/zinc/66/87/06/927668706.db2.gz ALGFEBTTXWITSK-GOSISDBHSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](F)CC2CCCCC2)C1 ZINC001484068009 927669076 /nfs/dbraw/zinc/66/90/76/927669076.db2.gz OFALKTQNIFLEFB-RDJZCZTQSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)C(C)(C)C=C)C1 ZINC001484168540 927686837 /nfs/dbraw/zinc/68/68/37/927686837.db2.gz UVUCTIHIXLWKQS-GOSISDBHSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)/C(C)=C/CC)CC1 ZINC001484708882 927742847 /nfs/dbraw/zinc/74/28/47/927742847.db2.gz YBUUDAHVYRZBOO-HTRKUNOGSA-N 1 1 278.440 3.280 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H]1CCC[N@@H+](C/C=C/Cl)CC1 ZINC001484720876 927744339 /nfs/dbraw/zinc/74/43/39/927744339.db2.gz WJGIFCDQKSLOJV-SIEMXDPISA-N 1 1 298.858 3.312 20 30 CGEDMO C#CCCCC(=O)N(C)CCC[N@@H+](C)CC1CC(C)(C)C1 ZINC001484741232 927748686 /nfs/dbraw/zinc/74/86/86/927748686.db2.gz RCGIPVIOHNMDPX-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1CC[N@@H+](CC(C)C)CC1(C)C ZINC001484937388 927773976 /nfs/dbraw/zinc/77/39/76/927773976.db2.gz NLYFBAZYQWQDGB-HZPDHXFCSA-N 1 1 294.483 3.461 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)C(CCC)CCC)C[C@@H]1C ZINC001484976756 927778550 /nfs/dbraw/zinc/77/85/50/927778550.db2.gz OJVDTHLZAWGFGV-RDJZCZTQSA-N 1 1 292.467 3.195 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)CC(C)C)C[C@@H]1C ZINC001484983763 927780041 /nfs/dbraw/zinc/78/00/41/927780041.db2.gz XOIQZYBYMYQRJI-HOTGVXAUSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C(CC)(CC)CC)C[C@H]1C ZINC001484980066 927783848 /nfs/dbraw/zinc/78/38/48/927783848.db2.gz HXVOOMUTNDQGHG-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC[N@H+](CC)CC1CCN(C(=O)C(C)(C)C(C)C)CC1 ZINC001485031266 927789173 /nfs/dbraw/zinc/78/91/73/927789173.db2.gz JUENYDOHINVGRO-UHFFFAOYSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C1CC1 ZINC001485045573 927789197 /nfs/dbraw/zinc/78/91/97/927789197.db2.gz BFTIOFXRTVLPLB-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@H+](CC)CC1CCN(C(=O)CCC2CCC2)CC1 ZINC001485030034 927789882 /nfs/dbraw/zinc/78/98/82/927789882.db2.gz NAJKFBWAWBNKJL-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C)CCCC ZINC001485054995 927792064 /nfs/dbraw/zinc/79/20/64/927792064.db2.gz JVISMWCHYISUHA-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@]12C[C@H]1CCC2 ZINC001485064723 927796485 /nfs/dbraw/zinc/79/64/85/927796485.db2.gz MOOWFMUTSKMESG-JFIYKMOQSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]1C[N@@H+](C)CC(=C)Cl ZINC001485058550 927798605 /nfs/dbraw/zinc/79/86/05/927798605.db2.gz PRDJPFVXNYIVCN-CQSZACIVSA-N 1 1 284.831 3.018 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]1C[N@H+](C)CC(=C)Cl ZINC001485058550 927798611 /nfs/dbraw/zinc/79/86/11/927798611.db2.gz PRDJPFVXNYIVCN-CQSZACIVSA-N 1 1 284.831 3.018 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)C(C)=C1CCC1 ZINC001485476469 927876625 /nfs/dbraw/zinc/87/66/25/927876625.db2.gz MCCWBNXMZRFRSN-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)C[C@H]1CC=CCC1 ZINC001485480907 927881015 /nfs/dbraw/zinc/88/10/15/927881015.db2.gz SZJDWSCXYDXOBW-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](C)C1CCCC1 ZINC001485484801 927881825 /nfs/dbraw/zinc/88/18/25/927881825.db2.gz LNRVXNUXLDWNKX-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1C[N@H+](CCC(=C)C)CC1(C)C ZINC001485572465 927889913 /nfs/dbraw/zinc/88/99/13/927889913.db2.gz UHZKBTUBMRRNQL-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC1(C(=O)N2CCC([N@H+](C)CC(C)C)CC2)CCC1 ZINC001485764091 927916196 /nfs/dbraw/zinc/91/61/96/927916196.db2.gz ZIPLQNNXGBPVNO-UHFFFAOYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@H+]1CC[C@]2(NC(=O)CCC(=C)C)CCC[C@H]12 ZINC001486149819 927990758 /nfs/dbraw/zinc/99/07/58/927990758.db2.gz WKYGRGGLUTWGLZ-FUHWJXTLSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)/C=C(/C)CC)C(C)C ZINC001486368153 928010871 /nfs/dbraw/zinc/01/08/71/928010871.db2.gz KUKDBODKZHULDA-PTNGSMBKSA-N 1 1 266.429 3.088 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)C1CCCCC1)C(C)C ZINC001486361720 928011766 /nfs/dbraw/zinc/01/17/66/928011766.db2.gz SKWIBCICMDEZFC-UHFFFAOYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC(C)(C)C(=O)NCC1=CC[N@@H+](CC(CC)CC)CC1 ZINC001486514297 928029108 /nfs/dbraw/zinc/02/91/08/928029108.db2.gz XHIUVZBBINAEHN-UHFFFAOYSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)[C@H](CCCC)C(C)C)CC1 ZINC001486521578 928030559 /nfs/dbraw/zinc/03/05/59/928030559.db2.gz FUUYVFVJYRGALT-QGZVFWFLSA-N 1 1 292.467 3.383 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H](Oc2cc(F)c(F)cc2C#N)C1 ZINC001229838618 928041983 /nfs/dbraw/zinc/04/19/83/928041983.db2.gz WEBHKEHLMCGTJB-LBPRGKRZSA-N 1 1 280.318 3.088 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)SC ZINC001230848756 928073171 /nfs/dbraw/zinc/07/31/71/928073171.db2.gz KNXRDWWGVGFOPF-LSDHHAIUSA-N 1 1 298.496 3.017 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC(=O)[C@H]2CCCC[C@H]21 ZINC001171204391 928199683 /nfs/dbraw/zinc/19/96/83/928199683.db2.gz XAXSNZCMKBSEOD-FHLIZLRMSA-N 1 1 296.414 3.323 20 30 CGEDMO C[C@@H](CCCC#N)[N@@H+](CCN)C12CC3CC(CC(C3)C1)C2 ZINC001172485056 928222144 /nfs/dbraw/zinc/22/21/44/928222144.db2.gz LFCBWQNMYJFNHC-NUVRTYOOSA-N 1 1 289.467 3.298 20 30 CGEDMO CC(C)[N@H+](CCC#N)Cc1cc2ccc(F)cc2[nH]c1=O ZINC001363429324 937231570 /nfs/dbraw/zinc/23/15/70/937231570.db2.gz OOKHWNCZZVCGAZ-UHFFFAOYSA-N 1 1 287.338 3.204 20 30 CGEDMO CC(C)[N@@H+](CCC#N)Cc1cc2ccc(F)cc2[nH]c1=O ZINC001363429324 937231572 /nfs/dbraw/zinc/23/15/72/937231572.db2.gz OOKHWNCZZVCGAZ-UHFFFAOYSA-N 1 1 287.338 3.204 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccccc1-n1cccn1 ZINC000158988164 928262180 /nfs/dbraw/zinc/26/21/80/928262180.db2.gz DGOKELVZFQWQNJ-UHFFFAOYSA-N 1 1 255.365 3.270 20 30 CGEDMO C#CC[N@H+](Cc1nc2cc(C)ccc2s1)C(C)C ZINC001198027623 928269526 /nfs/dbraw/zinc/26/95/26/928269526.db2.gz QHJVRGHZEJUERW-UHFFFAOYSA-N 1 1 258.390 3.448 20 30 CGEDMO C#CC[N@@H+](Cc1nc2cc(C)ccc2s1)C(C)C ZINC001198027623 928269539 /nfs/dbraw/zinc/26/95/39/928269539.db2.gz QHJVRGHZEJUERW-UHFFFAOYSA-N 1 1 258.390 3.448 20 30 CGEDMO C[N@H+](Cc1cc2ccc(F)cc2[nH]c1=O)CC(C)(C)C#N ZINC001363904449 937232663 /nfs/dbraw/zinc/23/26/63/937232663.db2.gz FHPLGEFVFAKKLA-UHFFFAOYSA-N 1 1 287.338 3.061 20 30 CGEDMO C[N@@H+](Cc1cc2ccc(F)cc2[nH]c1=O)CC(C)(C)C#N ZINC001363904449 937232666 /nfs/dbraw/zinc/23/26/66/937232666.db2.gz FHPLGEFVFAKKLA-UHFFFAOYSA-N 1 1 287.338 3.061 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)CCC2(C)CC2)C1 ZINC001494915908 928276674 /nfs/dbraw/zinc/27/66/74/928276674.db2.gz ATADUUUPQVMTDT-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@](C)(C=C)CC ZINC001488653390 928289997 /nfs/dbraw/zinc/28/99/97/928289997.db2.gz IVIZJINKZVALRF-DOTOQJQBSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1CCCCC1(C)C ZINC001488705141 928296149 /nfs/dbraw/zinc/29/61/49/928296149.db2.gz ZXQJQDRNKCROBR-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H](F)C(C)C)CC(C)(C)C1 ZINC001489348278 928326813 /nfs/dbraw/zinc/32/68/13/928326813.db2.gz UNYAURVQFVUXQJ-HUUCEWRRSA-N 1 1 298.446 3.163 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCCC[C@H]1C[N@H+](C)CCC ZINC001489327993 928328628 /nfs/dbraw/zinc/32/86/28/928328628.db2.gz PAOVKCJYZHOMAD-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[N@@H+](C/C=C/Cl)CC(C)(C)C1 ZINC001489343444 928329479 /nfs/dbraw/zinc/32/94/79/928329479.db2.gz GLFHFXXNXDVPIR-VIIAAUOXSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)C(CC)(CC)CC ZINC001493145559 928329546 /nfs/dbraw/zinc/32/95/46/928329546.db2.gz ADWJCKOPRUAUOK-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CC)CC(C)(C)C1 ZINC001489340851 928330376 /nfs/dbraw/zinc/33/03/76/928330376.db2.gz URKZIORDZSUCQP-HUUCEWRRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[N@H+](C)CCCNC(=O)C1(CC)CCCCC1 ZINC001490280645 928341137 /nfs/dbraw/zinc/34/11/37/928341137.db2.gz IPGIQOGHCIVVDN-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO CC#CC[N@@H+](CC)CCCNC(=O)[C@@H](C)[C@@H](C)C(C)(C)C ZINC001490349202 928345049 /nfs/dbraw/zinc/34/50/49/928345049.db2.gz PTFYNCMWZZFWKH-JKSUJKDBSA-N 1 1 294.483 3.156 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)[C@@]1(C)CCC[C@H]1C)C1CC1 ZINC001490385088 928349963 /nfs/dbraw/zinc/34/99/63/928349963.db2.gz FWBYOPLHDJHURC-QAPCUYQASA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[N@@H+](CCCNC(=O)C(C)(C)C(=C)C)C1CC1 ZINC001490381438 928350842 /nfs/dbraw/zinc/35/08/42/928350842.db2.gz UCHVNERVHPUSGV-UHFFFAOYSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C(Cl)C[N@H+](CCCNC(=O)C(C)(C)C(=C)C)C1CC1 ZINC001490381438 928350847 /nfs/dbraw/zinc/35/08/47/928350847.db2.gz UCHVNERVHPUSGV-UHFFFAOYSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C(C)C[N@@H+](CCCNC(=O)CC1CCCC1)C1CC1 ZINC001490363079 928355613 /nfs/dbraw/zinc/35/56/13/928355613.db2.gz KCXXLNNTTRHDRA-UHFFFAOYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@H+](CC/C=C\CCC)C1 ZINC001490547578 928367340 /nfs/dbraw/zinc/36/73/40/928367340.db2.gz CDHQZXYNYQMNNW-WLMCBFPDSA-N 1 1 278.440 3.280 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2(CC)CCCC2)C1 ZINC001490568741 928376150 /nfs/dbraw/zinc/37/61/50/928376150.db2.gz YETDKCRLCDNCDD-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)CC[C@H](C)CC)C1 ZINC001490774225 928386924 /nfs/dbraw/zinc/38/69/24/928386924.db2.gz QFNORJWRLJSRTP-IAGOWNOFSA-N 1 1 292.467 3.006 20 30 CGEDMO CC#CCCCC(=O)NCC[N@H+](CC)CC1CC(C)(C)C1 ZINC001493005560 928504357 /nfs/dbraw/zinc/50/43/57/928504357.db2.gz YRMNIGTYNVAGQB-UHFFFAOYSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](CC(C)(C)C)C2(C)C)C1=O ZINC001307835407 928506263 /nfs/dbraw/zinc/50/62/63/928506263.db2.gz OEBDHVYOJHKCBG-GJZGRUSLSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC1(C(=O)N[C@H](C)C[N@@H+](C)CCC(=C)C)CCC1 ZINC001322239364 928508337 /nfs/dbraw/zinc/50/83/37/928508337.db2.gz ZYXILWLUWNVXGT-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2nn(C)cc2C)CCCC1(C)C ZINC001307728543 928515048 /nfs/dbraw/zinc/51/50/48/928515048.db2.gz DSDUBBGENUKVPP-HNNXBMFYSA-N 1 1 261.413 3.295 20 30 CGEDMO C[N@@H+](CC[C@H](O)c1ccccc1)Cc1cc(C#N)cs1 ZINC000933770717 928635770 /nfs/dbraw/zinc/63/57/70/928635770.db2.gz RJBHNERBIMTYRT-INIZCTEOSA-N 1 1 286.400 3.175 20 30 CGEDMO C=C(Br)C[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000393621677 928739194 /nfs/dbraw/zinc/73/91/94/928739194.db2.gz IHNLDLKUJQIFRD-UHFFFAOYSA-N 1 1 270.145 3.313 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCC(C)C)C1 ZINC001490980852 928823151 /nfs/dbraw/zinc/82/31/51/928823151.db2.gz MAQQUBVCJBYMEI-SJORKVTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)CC(C)(C)C)C1 ZINC001491088215 928830539 /nfs/dbraw/zinc/83/05/39/928830539.db2.gz COVXBAXKSVWYAA-HNNXBMFYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](CNC(=O)CCC2CCCCC2)C1 ZINC001491128488 928833021 /nfs/dbraw/zinc/83/30/21/928833021.db2.gz LNRBVWFDHQLBFB-QGZVFWFLSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)CCCC ZINC001491206013 928844638 /nfs/dbraw/zinc/84/46/38/928844638.db2.gz HWZBVUOEMOYPFV-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)=C2CCC2)C1 ZINC001491289289 928853935 /nfs/dbraw/zinc/85/39/35/928853935.db2.gz ZOYJBAPNGJONIG-WBVHZDCISA-N 1 1 290.451 3.280 20 30 CGEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCCCCCCC ZINC001442107214 937340756 /nfs/dbraw/zinc/34/07/56/937340756.db2.gz RQYOMLYWNFZIAL-KRWDZBQOSA-N 1 1 292.467 3.293 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCCCCCCC ZINC001442107214 937340759 /nfs/dbraw/zinc/34/07/59/937340759.db2.gz RQYOMLYWNFZIAL-KRWDZBQOSA-N 1 1 292.467 3.293 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)[C@H](C)c1cccc(C)c1 ZINC001448883523 937377320 /nfs/dbraw/zinc/37/73/20/937377320.db2.gz OMWJASSXGNNKGT-MRXNPFEDSA-N 1 1 288.435 3.065 20 30 CGEDMO C#CCOCC[N@H+]1CCC[C@@H](CCCc2ccccc2)C1 ZINC001459784926 937500204 /nfs/dbraw/zinc/50/02/04/937500204.db2.gz MXGJTGPIDYUPNQ-LJQANCHMSA-N 1 1 285.431 3.371 20 30 CGEDMO CC1(C)CO[C@H](C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)C1 ZINC001459815153 937501808 /nfs/dbraw/zinc/50/18/08/937501808.db2.gz BIEPZCZAJJEELZ-KRWDZBQOSA-N 1 1 284.403 3.338 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(C2(C(=O)OC)CC2)cc1 ZINC001460043195 937512397 /nfs/dbraw/zinc/51/23/97/937512397.db2.gz OWMVDFATFNPANX-KRWDZBQOSA-N 1 1 299.414 3.432 20 30 CGEDMO C[C@@H]([NH2+]Cc1c(F)cncc1F)c1ccc(C#N)cc1 ZINC001460088177 937514907 /nfs/dbraw/zinc/51/49/07/937514907.db2.gz FTAYPHSFJQKXER-SNVBAGLBSA-N 1 1 273.286 3.082 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCC[C@@H]1COC(=O)NCC ZINC001460089235 937515336 /nfs/dbraw/zinc/51/53/36/937515336.db2.gz HJAJJIWGFHUPSB-OAHLLOKOSA-N 1 1 282.428 3.333 20 30 CGEDMO CCC1(CC)CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC001460412251 937531061 /nfs/dbraw/zinc/53/10/61/937531061.db2.gz ATZCXDWDCIEYDW-UHFFFAOYSA-N 1 1 299.418 3.399 20 30 CGEDMO COCC#CC[N@H+]1CC[C@@H](c2ccc(C)cc2)C1(C)C ZINC001460699313 937540836 /nfs/dbraw/zinc/54/08/36/937540836.db2.gz XEMLLYCBFPIGPP-KRWDZBQOSA-N 1 1 271.404 3.213 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCCC[C@H]1CC1(O)CCCCC1 ZINC001460765389 937544325 /nfs/dbraw/zinc/54/43/25/937544325.db2.gz XTTBYKZLVSWNGG-DLBZAZTESA-N 1 1 295.467 3.253 20 30 CGEDMO COc1cccc(CC[N@@H+](C)Cc2ccc(C#N)c(F)c2)c1 ZINC001139529502 931953523 /nfs/dbraw/zinc/95/35/23/931953523.db2.gz URPNUTNOPFSIHU-UHFFFAOYSA-N 1 1 298.361 3.380 20 30 CGEDMO C#CC[N@@H+](C[C@H]1[C@H](c2ccccc2)C1(F)F)C(C)C ZINC001460823771 937547537 /nfs/dbraw/zinc/54/75/37/937547537.db2.gz MQCADGQNRNECLI-GJZGRUSLSA-N 1 1 263.331 3.379 20 30 CGEDMO C=CCN1CC[C@H]([N@H+]2CCCCC23CCCCCC3)C1=O ZINC001460958113 937556609 /nfs/dbraw/zinc/55/66/09/937556609.db2.gz LMPUUEMFOGDVQJ-INIZCTEOSA-N 1 1 290.451 3.352 20 30 CGEDMO Cc1ccsc1C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000402400015 932017471 /nfs/dbraw/zinc/01/74/71/932017471.db2.gz NRMSMWAIRQVXTO-OAHLLOKOSA-N 1 1 286.400 3.094 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCCC[C@@]23CCCOC3)cc1 ZINC001460971862 937557412 /nfs/dbraw/zinc/55/74/12/937557412.db2.gz DZAXMAITADFARB-SFHVURJKSA-N 1 1 287.378 3.212 20 30 CGEDMO C=CCOc1cccc(C[NH2+]Cc2csc(C)n2)c1 ZINC001461018162 937559769 /nfs/dbraw/zinc/55/97/69/937559769.db2.gz CGOQYWKVSCLBRF-UHFFFAOYSA-N 1 1 274.389 3.306 20 30 CGEDMO C=C[C@@H](CCCC)Oc1ccc(C(=[NH2+])NO)c(F)c1 ZINC001229081107 932088852 /nfs/dbraw/zinc/08/88/52/932088852.db2.gz NUMVDNLODMGQNW-JTQLQIEISA-N 1 1 266.316 3.253 20 30 CGEDMO C[N@H+]1CCC[C@@H](Oc2cc(C#N)ccc2Cl)CC1 ZINC001229249604 932122312 /nfs/dbraw/zinc/12/23/12/932122312.db2.gz XRBWOGYOGDLJDC-GFCCVEGCSA-N 1 1 264.756 3.075 20 30 CGEDMO CC[N@H+]1CCC[C@@H](Oc2ccc(C3(C#N)CC3)cc2)C1 ZINC001229944234 932506790 /nfs/dbraw/zinc/50/67/90/932506790.db2.gz MBTBMZOEQWHCEY-MRXNPFEDSA-N 1 1 270.376 3.105 20 30 CGEDMO COc1ccc(C[C@H]2CC[N@H+]2CC#Cc2ccccc2)cc1 ZINC001461930372 937607498 /nfs/dbraw/zinc/60/74/98/937607498.db2.gz VKIUZTBDMCUZSS-LJQANCHMSA-N 1 1 291.394 3.364 20 30 CGEDMO C#CC[N@H+](CC)Cc1cc(Br)c(C)s1 ZINC001461987070 937610769 /nfs/dbraw/zinc/61/07/69/937610769.db2.gz MWCPOASATCOBOI-UHFFFAOYSA-N 1 1 272.211 3.274 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CCC1 ZINC001230556980 932587940 /nfs/dbraw/zinc/58/79/40/932587940.db2.gz QMKZJJZYDBLVSG-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)F ZINC001230614870 932598123 /nfs/dbraw/zinc/59/81/23/932598123.db2.gz SXMLPQQMLRJTOR-AWEZNQCLSA-N 1 1 286.435 3.238 20 30 CGEDMO C[C@@]1(F)CCCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001232842241 932683170 /nfs/dbraw/zinc/68/31/70/932683170.db2.gz QEUOOIPWHUJVDC-CYBMUJFWSA-N 1 1 252.358 3.334 20 30 CGEDMO C[C@@]1(F)CCCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001232842241 932683174 /nfs/dbraw/zinc/68/31/74/932683174.db2.gz QEUOOIPWHUJVDC-CYBMUJFWSA-N 1 1 252.358 3.334 20 30 CGEDMO Cc1cc(Cl)nc(C[NH2+]CC#Cc2ccccc2)c1 ZINC001462133829 937620149 /nfs/dbraw/zinc/62/01/49/937620149.db2.gz CIBRCJBLKNSULX-UHFFFAOYSA-N 1 1 270.763 3.185 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2cn(CCC)nn2)CCCC1(C)C ZINC001462157955 937621555 /nfs/dbraw/zinc/62/15/55/937621555.db2.gz OTEUHWLJGXOBBI-OAHLLOKOSA-N 1 1 276.428 3.255 20 30 CGEDMO C=C[C@H](C(=O)N(C)C[C@H]1CC[N@H+]1CC(=C)C)c1ccccc1 ZINC001316608206 932748664 /nfs/dbraw/zinc/74/86/64/932748664.db2.gz FWWAZUXJZIMVRO-MSOLQXFVSA-N 1 1 298.430 3.065 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C=C)c1ccccc1 ZINC001316608571 932749162 /nfs/dbraw/zinc/74/91/62/932749162.db2.gz HFQQRMDHFARIQQ-ROUUACIJSA-N 1 1 298.430 3.065 20 30 CGEDMO C=CC(C)(C)CC(=O)NCCC[N@H+](C)Cc1ccsc1 ZINC001316826928 932759190 /nfs/dbraw/zinc/75/91/90/932759190.db2.gz GOSGPVMPWLCBNT-UHFFFAOYSA-N 1 1 294.464 3.289 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[C@H]1CC ZINC001492171762 932808142 /nfs/dbraw/zinc/80/81/42/932808142.db2.gz RLGVNNCRJOQFDX-QLFBSQMISA-N 1 1 298.858 3.146 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[N@H+](C)Cc1cccc(Cl)c1 ZINC001492373457 932814823 /nfs/dbraw/zinc/81/48/23/932814823.db2.gz OKRUTGXEYQFTTD-UHFFFAOYSA-N 1 1 294.826 3.100 20 30 CGEDMO C=CCC[N@H+](C)CCNC(=O)C[C@H](C)C1CCCCC1 ZINC001492453404 932817475 /nfs/dbraw/zinc/81/74/75/932817475.db2.gz GNBBLQKSVKRNSL-HNNXBMFYSA-N 1 1 280.456 3.217 20 30 CGEDMO CC[C@H](C)[N@@H+](C)CCNc1cc(C)cc(F)c1C#N ZINC001306957139 932901583 /nfs/dbraw/zinc/90/15/83/932901583.db2.gz PFJYNOQVCRRHML-LBPRGKRZSA-N 1 1 263.360 3.148 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)[C@@H](CCCC)C(=O)OC ZINC001307445191 932952514 /nfs/dbraw/zinc/95/25/14/932952514.db2.gz VRNIWGOXOGMIHU-KRWDZBQOSA-N 1 1 289.419 3.449 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)[C@@H](CCCC)C(=O)OC ZINC001307445191 932952521 /nfs/dbraw/zinc/95/25/21/932952521.db2.gz VRNIWGOXOGMIHU-KRWDZBQOSA-N 1 1 289.419 3.449 20 30 CGEDMO CCC#C[C@H](C)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001307476955 932957855 /nfs/dbraw/zinc/95/78/55/932957855.db2.gz IKYZLDVCXNBKEN-BZSNNMDCSA-N 1 1 276.468 3.375 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](CC2([C@H]3CCCCO3)CCC2)C1 ZINC001307606301 932976025 /nfs/dbraw/zinc/97/60/25/932976025.db2.gz GZWPRPTUOKBHBQ-JKSUJKDBSA-N 1 1 279.424 3.003 20 30 CGEDMO C=CC[N@@H+](CCCOC(F)(F)F)CCc1ccco1 ZINC001307621005 932977051 /nfs/dbraw/zinc/97/70/51/932977051.db2.gz KXADRXKZDNPXTL-UHFFFAOYSA-N 1 1 277.286 3.237 20 30 CGEDMO CCCCCCCCC[N@H+]1CCNC(=O)[C@@H]1CCC ZINC001307656380 932982545 /nfs/dbraw/zinc/98/25/45/932982545.db2.gz OUQZSYFNNPNRAX-HNNXBMFYSA-N 1 1 268.445 3.338 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@H]1COC(=O)N(CC)CC ZINC001307745153 932995484 /nfs/dbraw/zinc/99/54/84/932995484.db2.gz BUKISZBENUTBRJ-HNNXBMFYSA-N 1 1 282.428 3.286 20 30 CGEDMO C#C[C@@H]1COCC[N@@H+]1CCCc1cccc2ccccc21 ZINC001307831371 933007323 /nfs/dbraw/zinc/00/73/23/933007323.db2.gz OKVCDFWCIOREEY-GOSISDBHSA-N 1 1 279.383 3.106 20 30 CGEDMO C#C[C@@H]1COCC[N@H+]1CCCc1cccc2ccccc21 ZINC001307831371 933007327 /nfs/dbraw/zinc/00/73/27/933007327.db2.gz OKVCDFWCIOREEY-GOSISDBHSA-N 1 1 279.383 3.106 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2cc(O)ccc2Cl)cc1F ZINC001462549134 937649953 /nfs/dbraw/zinc/64/99/53/937649953.db2.gz LQJXDSUVEKSTRF-UHFFFAOYSA-N 1 1 290.725 3.346 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cnn(-c3ccccc3)n2)C1 ZINC001307914985 933018267 /nfs/dbraw/zinc/01/82/67/933018267.db2.gz NLDZNOMUAXOSPL-OAHLLOKOSA-N 1 1 282.391 3.055 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccccc3)n2)C1 ZINC001307914985 933018268 /nfs/dbraw/zinc/01/82/68/933018268.db2.gz NLDZNOMUAXOSPL-OAHLLOKOSA-N 1 1 282.391 3.055 20 30 CGEDMO C=CC[N@H+](Cc1cc(C(=O)OC)oc1CC)C(C)(C)C ZINC001307937838 933023740 /nfs/dbraw/zinc/02/37/40/933023740.db2.gz FEXDGPDXVJNKFF-UHFFFAOYSA-N 1 1 279.380 3.415 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)C[C@@H]1CCC2(CCC2)CO1 ZINC001308017869 933035072 /nfs/dbraw/zinc/03/50/72/933035072.db2.gz XDMJPLWDHNZQLF-SFHVURJKSA-N 1 1 298.430 3.382 20 30 CGEDMO C#CC[N@@H+](Cc1ccc([Si](C)(C)C)cc1)C(C)(C)C ZINC001308088858 933045740 /nfs/dbraw/zinc/04/57/40/933045740.db2.gz VWOSUERSVJCZHA-UHFFFAOYSA-N 1 1 273.496 3.466 20 30 CGEDMO C#CC[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)C(C)C ZINC001308099090 933048058 /nfs/dbraw/zinc/04/80/58/933048058.db2.gz SWPHQGREIXLQJN-UHFFFAOYSA-N 1 1 296.773 3.151 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1ccccc1OCC(=O)OC ZINC001462634443 937655537 /nfs/dbraw/zinc/65/55/37/937655537.db2.gz KXEFACYIQDWPLG-UHFFFAOYSA-N 1 1 291.391 3.027 20 30 CGEDMO CCC1CCC([N@@H+](CCO)Cc2csc(C#N)c2)CC1 ZINC001308735601 933167163 /nfs/dbraw/zinc/16/71/63/933167163.db2.gz BGONWTSBNNKYSO-UHFFFAOYSA-N 1 1 292.448 3.383 20 30 CGEDMO CC#CC[N@H+](C)C/C(C)=C\c1ccccc1COC ZINC001308965617 933214808 /nfs/dbraw/zinc/21/48/08/933214808.db2.gz SPVVIYFNHNFOAY-QINSGFPZSA-N 1 1 257.377 3.191 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1[nH]cc(C(=O)OC)c1C1CC1 ZINC001308968980 933216557 /nfs/dbraw/zinc/21/65/57/933216557.db2.gz MENOBDMVFOPLFA-UHFFFAOYSA-N 1 1 290.407 3.467 20 30 CGEDMO C=C(C)C[N@H+](CC)CCNC(=O)C[C@@H](CC)C(C)(C)C ZINC001317489240 933254393 /nfs/dbraw/zinc/25/43/93/933254393.db2.gz YLAJTZSKCLWGCA-OAHLLOKOSA-N 1 1 282.472 3.463 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C)c(C)o1 ZINC001317497660 933267233 /nfs/dbraw/zinc/26/72/33/933267233.db2.gz SYUYTWFEMATOBE-OAHLLOKOSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCC(C)C)C1 ZINC001317100724 933472259 /nfs/dbraw/zinc/47/22/59/933472259.db2.gz KYVOWUTZQXHYKB-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)CCCC[C@H](C)CC)[C@H]1C ZINC001316783370 933480919 /nfs/dbraw/zinc/48/09/19/933480919.db2.gz NJMCLCMQDLIJJB-ZACQAIPSSA-N 1 1 292.467 3.195 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)c2ccoc2)[C@H]1C ZINC001316776127 933481359 /nfs/dbraw/zinc/48/13/59/933481359.db2.gz RBGQOHDAOACLNA-ZBFHGGJFSA-N 1 1 292.423 3.443 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C2(CC)CCC2)CC(C)(C)C1 ZINC001316809167 933485894 /nfs/dbraw/zinc/48/58/94/933485894.db2.gz AJJGJBJGISTMFW-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+](CC)CCCNC(=O)C1CCC2(CC2)CC1 ZINC001316898118 933491851 /nfs/dbraw/zinc/49/18/51/933491851.db2.gz RUVWDMRTFRJKBS-UHFFFAOYSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCCNC(=O)[C@@H]1CCCC12CC2 ZINC001316895191 933492318 /nfs/dbraw/zinc/49/23/18/933492318.db2.gz LVNARQSFPIHCOW-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CCC[N@H+](C[C@H](C)CC)C1 ZINC001316943902 933499561 /nfs/dbraw/zinc/49/95/61/933499561.db2.gz IUKLPZIBMKKAKG-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001316939077 933499614 /nfs/dbraw/zinc/49/96/14/933499614.db2.gz AYFKEVUBUYJIHR-DOTOQJQBSA-N 1 1 286.419 3.294 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CCC[N@H+](CCC(=C)C)C2)CCC1 ZINC001316947602 933500553 /nfs/dbraw/zinc/50/05/53/933500553.db2.gz LMNUWRKRQSXFPA-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)C[C@@H](C)CCCCCC)C1 ZINC001316955463 933502351 /nfs/dbraw/zinc/50/23/51/933502351.db2.gz RXCKVDHQHAECIJ-DLBZAZTESA-N 1 1 292.467 3.197 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C)CCCCCC)C1 ZINC001316955463 933502360 /nfs/dbraw/zinc/50/23/60/933502360.db2.gz RXCKVDHQHAECIJ-DLBZAZTESA-N 1 1 292.467 3.197 20 30 CGEDMO CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)CC(CC)CC)C1 ZINC001317040574 933518654 /nfs/dbraw/zinc/51/86/54/933518654.db2.gz RGNLKPKUQBVBLA-KRWDZBQOSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](CNC(=O)/C=C(\C)CC)C1 ZINC001317131913 933537346 /nfs/dbraw/zinc/53/73/46/933537346.db2.gz UOOPEHGEYNGGPC-ASNKMWSDSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)/C=C/C(C)(C)C)C1 ZINC001317133772 933537857 /nfs/dbraw/zinc/53/78/57/933537857.db2.gz OGYBFAPHVIONEM-XAVKZTDYSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@](C)(CC)CCC)C1 ZINC001317143208 933540088 /nfs/dbraw/zinc/54/00/88/933540088.db2.gz LHJPXGUHLHQSDZ-RDJZCZTQSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001317140647 933541102 /nfs/dbraw/zinc/54/11/02/933541102.db2.gz VBLBIQAIOXTNIK-OAHLLOKOSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCCC(=O)NC[C@H]1CCCC[N@@H+]1CCC(C)C ZINC001317174406 933548674 /nfs/dbraw/zinc/54/86/74/933548674.db2.gz SZYNGQJXQVCGBM-MRXNPFEDSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)CCCCC)C1 ZINC001317372206 933578433 /nfs/dbraw/zinc/57/84/33/933578433.db2.gz RUNZZPRXEMDNID-MRXNPFEDSA-N 1 1 280.456 3.456 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)CCC1CC1 ZINC001317426615 933591590 /nfs/dbraw/zinc/59/15/90/933591590.db2.gz NFDXPRULUBPDDY-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)CC(C)(C)C1CC1 ZINC001317420794 933591904 /nfs/dbraw/zinc/59/19/04/933591904.db2.gz JDHNZKCUVAFQHM-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc2[nH]ccc2c1 ZINC001317457917 933596797 /nfs/dbraw/zinc/59/67/97/933596797.db2.gz GOVAUNDAQPMTEW-CQSZACIVSA-N 1 1 299.418 3.184 20 30 CGEDMO C=CCC[N@H+](C)CCNC(=O)[C@H](C)CC1CCCCC1 ZINC001317470369 933599175 /nfs/dbraw/zinc/59/91/75/933599175.db2.gz WTUJBOLNWBSZLO-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C ZINC001317543827 933614926 /nfs/dbraw/zinc/61/49/26/933614926.db2.gz XFVKIXHWIFLZMF-HZPDHXFCSA-N 1 1 292.467 3.239 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)c1cccc(F)c1C ZINC001317540729 933615337 /nfs/dbraw/zinc/61/53/37/933615337.db2.gz NMHZRVMUKAYLKN-UHFFFAOYSA-N 1 1 292.398 3.152 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)CC1CCCC1)C(C)C ZINC001317680310 933632673 /nfs/dbraw/zinc/63/26/73/933632673.db2.gz SEHVEEWRFYIWGR-UHFFFAOYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(Cl)C[N@H+](CCCNC(=O)c1cc(C)co1)C(C)C ZINC001317699263 933634966 /nfs/dbraw/zinc/63/49/66/933634966.db2.gz UDJSSXOTYWVQQW-UHFFFAOYSA-N 1 1 298.814 3.171 20 30 CGEDMO C=CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001317739855 933640515 /nfs/dbraw/zinc/64/05/15/933640515.db2.gz CIVOHWGULJKBHL-HDICACEKSA-N 1 1 298.430 3.218 20 30 CGEDMO C=C[C@H](C(=O)Nc1cc[nH+]c(N(C)C)c1)c1ccccc1 ZINC001465640911 937702872 /nfs/dbraw/zinc/70/28/72/937702872.db2.gz QKIGTLBUCIBGCX-HNNXBMFYSA-N 1 1 281.359 3.056 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)/C(C)=C\CC)C1 ZINC001317778673 933648837 /nfs/dbraw/zinc/64/88/37/933648837.db2.gz LHTLUIFZWITCKM-MVMZHWFQSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)CC[C@@H](C)CC)C1 ZINC001317806093 933651042 /nfs/dbraw/zinc/65/10/42/933651042.db2.gz REXYBSXNIQVIFZ-JKSUJKDBSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@H+](C)CC1CCN(C(=O)C(C)(C)CC=C)CC1 ZINC001317880560 933660498 /nfs/dbraw/zinc/66/04/98/933660498.db2.gz WLPCIFRPOQJWNT-UHFFFAOYSA-N 1 1 292.467 3.335 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](CC/C=C/CC)C2)C1 ZINC001317944824 933667346 /nfs/dbraw/zinc/66/73/46/933667346.db2.gz RRQGMZLAFQXKAK-SQRWCISFSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC(=O)N(C)[C@@H]1CC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC001318385796 933718984 /nfs/dbraw/zinc/71/89/84/933718984.db2.gz JPQUNPMLIVAZPS-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)C(CC)CC)C1 ZINC001318411424 933720766 /nfs/dbraw/zinc/72/07/66/933720766.db2.gz DFSBCBFFOZZPPL-HOCLYGCPSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C=C)cc2)C1 ZINC001318430027 933723169 /nfs/dbraw/zinc/72/31/69/933723169.db2.gz VQJTUJPAGYORKY-SFHVURJKSA-N 1 1 298.430 3.442 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CCC2(C)CC2)C1 ZINC001318442022 933726580 /nfs/dbraw/zinc/72/65/80/933726580.db2.gz JDWXJBJTKPFVPU-JKSUJKDBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCn1cnn(C[N@H+]2CCC[C@H](C(C)C)CC2)c1=S ZINC001319007034 933808018 /nfs/dbraw/zinc/80/80/18/933808018.db2.gz GJUVZDAQTPWNBN-AWEZNQCLSA-N 1 1 294.468 3.316 20 30 CGEDMO C=CCn1cnn(C[N@@H+]2CCC[C@H](C(C)C)CC2)c1=S ZINC001319007034 933808029 /nfs/dbraw/zinc/80/80/29/933808029.db2.gz GJUVZDAQTPWNBN-AWEZNQCLSA-N 1 1 294.468 3.316 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C)CC)CC2 ZINC001319139958 933831359 /nfs/dbraw/zinc/83/13/59/933831359.db2.gz MGCSKUDSAKUCOA-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC1(CC(=O)NCC[N@@H+]2CC=C(C)CC2)CCCCC1 ZINC001467673516 937720931 /nfs/dbraw/zinc/72/09/31/937720931.db2.gz YZBLWADETVPABX-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC(CC[N@@H+](C)CCCF)CC1 ZINC001319884699 933950745 /nfs/dbraw/zinc/95/07/45/933950745.db2.gz FOXHWSGPCAWIRX-UHFFFAOYSA-N 1 1 298.446 3.119 20 30 CGEDMO C=C(C)C[N@H+](C)CCC1CCN(C(=O)[C@@H](C)C(C)C)CC1 ZINC001319887840 933953290 /nfs/dbraw/zinc/95/32/90/933953290.db2.gz IIMVQLVQVIBARA-INIZCTEOSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCC1(C(=O)N(C)CC[N@H+](C)C[C@H](C)CC)CCC1 ZINC001320043335 933986177 /nfs/dbraw/zinc/98/61/77/933986177.db2.gz SWRZYUTWTATAFA-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC001320066249 933991051 /nfs/dbraw/zinc/99/10/51/933991051.db2.gz DCPLLAHKLYHGQW-IAGOWNOFSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)[C@]1(C)CC=C(C)CC1 ZINC001320085422 933994336 /nfs/dbraw/zinc/99/43/36/933994336.db2.gz QQKNTKJZIKGYDX-QGZVFWFLSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cc(-c3ccc(C)cc3)no2)C1 ZINC001320161388 934010630 /nfs/dbraw/zinc/01/06/30/934010630.db2.gz XVYVMMQJVWUNOM-INIZCTEOSA-N 1 1 298.386 3.427 20 30 CGEDMO C=CC[C@@H]([NH2+][C@@H](C)CCC1CCCC1)C(=O)OCC ZINC001320767045 934099020 /nfs/dbraw/zinc/09/90/20/934099020.db2.gz LQLYGAMBOQWQNF-DZGCQCFKSA-N 1 1 267.413 3.443 20 30 CGEDMO C=CCC1(NC(=O)[C@@H]2CCC[N@H+](C(C)C)C2)CCCC1 ZINC001470149236 937748459 /nfs/dbraw/zinc/74/84/59/937748459.db2.gz CWIOAFCCOYRPRN-OAHLLOKOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)C(C)(C)C1CC1 ZINC001322221775 934258268 /nfs/dbraw/zinc/25/82/68/934258268.db2.gz BKVWOBYNZNCYRI-UONOGXRCSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(C)cc1 ZINC001322284872 934271965 /nfs/dbraw/zinc/27/19/65/934271965.db2.gz GJPUOOWVDUWFQF-HNNXBMFYSA-N 1 1 274.408 3.011 20 30 CGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC(C)(C)C1(C)C ZINC001322355942 934285997 /nfs/dbraw/zinc/28/59/97/934285997.db2.gz FXKPAUNRYGQBLY-GFCCVEGCSA-N 1 1 285.391 3.006 20 30 CGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC(C)(C)C1(C)C ZINC001322355942 934285998 /nfs/dbraw/zinc/28/59/98/934285998.db2.gz FXKPAUNRYGQBLY-GFCCVEGCSA-N 1 1 285.391 3.006 20 30 CGEDMO C=CC(C)(C)CCCNC(=O)N(CC)[C@H]1CC[N@@H+](CC)C1 ZINC001471245968 937763270 /nfs/dbraw/zinc/76/32/70/937763270.db2.gz OJRXSIRPSXSVRX-HNNXBMFYSA-N 1 1 295.471 3.105 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)c1sccc1F ZINC001323232878 934376735 /nfs/dbraw/zinc/37/67/35/934376735.db2.gz SGKULSLBEXWTSY-NEPJUHHUSA-N 1 1 296.411 3.046 20 30 CGEDMO CCCC[N@@H+](C)C[C@@H](C)NC1CC(C#N)(c2ccccc2)C1 ZINC001323930750 934438775 /nfs/dbraw/zinc/43/87/75/934438775.db2.gz UVTCUWUHIWGGCU-IPJUCJBFSA-N 1 1 299.462 3.320 20 30 CGEDMO CCCCN(C)C[C@@H](C)[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001323930750 934438781 /nfs/dbraw/zinc/43/87/81/934438781.db2.gz UVTCUWUHIWGGCU-IPJUCJBFSA-N 1 1 299.462 3.320 20 30 CGEDMO C=CCCC[NH+]1CC(N(C)C(=O)c2cc(Cl)cs2)C1 ZINC001323992515 934446755 /nfs/dbraw/zinc/44/67/55/934446755.db2.gz CQEKFCKSMNMSRI-UHFFFAOYSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@](C)(NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001324642507 934537107 /nfs/dbraw/zinc/53/71/07/934537107.db2.gz XBAHYJUHNZLLAK-AEFFLSMTSA-N 1 1 290.451 3.280 20 30 CGEDMO C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](CC)CCCCC)C1 ZINC001324674480 934546298 /nfs/dbraw/zinc/54/62/98/934546298.db2.gz QIRFMYPFQHQQCP-WMZOPIPTSA-N 1 1 292.467 3.197 20 30 CGEDMO C#CC[C@H](NCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC001473332478 937801773 /nfs/dbraw/zinc/80/17/73/937801773.db2.gz ZAMITTOMLVIHKN-SCTDSRPQSA-N 1 1 284.447 3.319 20 30 CGEDMO C#CC[C@H]([NH2+]CCN1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC001473332478 937801775 /nfs/dbraw/zinc/80/17/75/937801775.db2.gz ZAMITTOMLVIHKN-SCTDSRPQSA-N 1 1 284.447 3.319 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](C)C[C@@H]1C(=O)OC ZINC001473409285 937805602 /nfs/dbraw/zinc/80/56/02/937805602.db2.gz CYAZUOVUYLEJBI-UONOGXRCSA-N 1 1 255.402 3.230 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CC2(C)C)C1 ZINC001324928129 934874587 /nfs/dbraw/zinc/87/45/87/934874587.db2.gz QXPXXNRLRZFIKC-CRAIPNDOSA-N 1 1 292.467 3.217 20 30 CGEDMO CC(C)C[C@]1(C)CCC[N@H+]1Cc1cc(C#N)ccn1 ZINC001473491909 937809303 /nfs/dbraw/zinc/80/93/03/937809303.db2.gz BBHWLLQJNJTDRV-INIZCTEOSA-N 1 1 257.381 3.354 20 30 CGEDMO CC#CC[N@@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@H]1C ZINC001473523124 937809901 /nfs/dbraw/zinc/80/99/01/937809901.db2.gz GTICCZQGMZJTQQ-GFCCVEGCSA-N 1 1 280.774 3.013 20 30 CGEDMO CC#CC[N@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@H]1C ZINC001473523124 937809903 /nfs/dbraw/zinc/80/99/03/937809903.db2.gz GTICCZQGMZJTQQ-GFCCVEGCSA-N 1 1 280.774 3.013 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC001473561374 937811574 /nfs/dbraw/zinc/81/15/74/937811574.db2.gz MFGZRVFQHKOLKO-UONOGXRCSA-N 1 1 267.413 3.252 20 30 CGEDMO C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H](C)CC)C2 ZINC001325615497 934919765 /nfs/dbraw/zinc/91/97/65/934919765.db2.gz AEZKTXTYMBJKAZ-WCXIOVBPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(CC)cc2)C1 ZINC001473627313 937814662 /nfs/dbraw/zinc/81/46/62/937814662.db2.gz IPHBVDPAAFDESY-INIZCTEOSA-N 1 1 286.419 3.476 20 30 CGEDMO C#CC[N@@H+](C[C@H](OC)c1ccc(Cl)cc1)C1CSC1 ZINC001473630278 937814862 /nfs/dbraw/zinc/81/48/62/937814862.db2.gz PYUYHDAAHQNBLN-HNNXBMFYSA-N 1 1 295.835 3.078 20 30 CGEDMO C#CC[N@H+](C[C@H](OC)c1ccc(Cl)cc1)C1CSC1 ZINC001473630278 937814864 /nfs/dbraw/zinc/81/48/64/937814864.db2.gz PYUYHDAAHQNBLN-HNNXBMFYSA-N 1 1 295.835 3.078 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC)c(C)c1)[C@@H](C)COC ZINC001473637891 937815536 /nfs/dbraw/zinc/81/55/36/937815536.db2.gz XJSCOJFESITTQU-AWEZNQCLSA-N 1 1 263.381 3.027 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)/C=C(/C)C2CC2)CC1 ZINC001327100029 935029611 /nfs/dbraw/zinc/02/96/11/935029611.db2.gz QRVYTMNLZYPSMT-NHRMXYMRSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)/C(C)=C\C)CC1 ZINC001327112483 935030517 /nfs/dbraw/zinc/03/05/17/935030517.db2.gz JWKWNVPFISQNNN-FQJVJMQJSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@](C)(C=C)CC)CC1 ZINC001327149101 935036905 /nfs/dbraw/zinc/03/69/05/935036905.db2.gz XTIWSOGPEUAAQD-WBVHZDCISA-N 1 1 278.440 3.136 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CCCC)C(C)C)CC1 ZINC001327172573 935040156 /nfs/dbraw/zinc/04/01/56/935040156.db2.gz LAPZAFDVBPHRNY-SJORKVTESA-N 1 1 292.467 3.053 20 30 CGEDMO CC(C)C#CC(=O)N(C)CCC[N@H+](C)C[C@H](C)CC(C)C ZINC001327198860 935043646 /nfs/dbraw/zinc/04/36/46/935043646.db2.gz DCBQLHPNDZBLAC-QGZVFWFLSA-N 1 1 294.483 3.108 20 30 CGEDMO C=CC(C)(C)C(=O)N(C)CCC[N@@H+](C)CC1CCCC1 ZINC001327245115 935047122 /nfs/dbraw/zinc/04/71/22/935047122.db2.gz GVNIDBGSUCIDBV-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@]2(CC[N@H+](CC[C@H](C)F)C2)C1 ZINC001327523552 935065952 /nfs/dbraw/zinc/06/59/52/935065952.db2.gz CSMFTHNTRYYELS-RDJZCZTQSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H](NC(=O)C2CC=CC2)C(C)(C)C1 ZINC001328068172 935114582 /nfs/dbraw/zinc/11/45/82/935114582.db2.gz QOXFAOKQUUPLED-INIZCTEOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)CC(C)C)C(C)(C)C1 ZINC001328099381 935117550 /nfs/dbraw/zinc/11/75/50/935117550.db2.gz UVDKOMWLWBPTLB-HZPDHXFCSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](C/C=C/Cl)[C@@H](C)C1 ZINC001328266546 935126562 /nfs/dbraw/zinc/12/65/62/935126562.db2.gz JXVWDZBEFUYLCH-DWOOFBTHSA-N 1 1 298.858 3.310 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C2(CC)CCC2)C[C@H]1C ZINC001328265639 935126752 /nfs/dbraw/zinc/12/67/52/935126752.db2.gz CEFMGJRMZGQRFO-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](C/C=C\Cl)[C@@H](C)C1 ZINC001328266545 935126835 /nfs/dbraw/zinc/12/68/35/935126835.db2.gz JXVWDZBEFUYLCH-CUXBFQRZSA-N 1 1 298.858 3.310 20 30 CGEDMO C#CCCCC(=O)N[C@H]1CC[N@H+](CCCCCC)[C@@H](C)C1 ZINC001328242050 935127164 /nfs/dbraw/zinc/12/71/64/935127164.db2.gz VVLJXCMSWFEWDU-IRXDYDNUSA-N 1 1 292.467 3.339 20 30 CGEDMO CC[N@H+]1CCC[C@@H](CNc2ccc3cc(C#N)ccc3n2)C1 ZINC001328491098 935143291 /nfs/dbraw/zinc/14/32/91/935143291.db2.gz ICCYGTQMUCDSEL-HNNXBMFYSA-N 1 1 294.402 3.250 20 30 CGEDMO CCCCCCC[N@@H+](C)C[C@H]1CCCN1C(=O)C(F)F ZINC001328706597 935162112 /nfs/dbraw/zinc/16/21/12/935162112.db2.gz YAOKLRVLXKQDOF-CYBMUJFWSA-N 1 1 290.398 3.145 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)[C@H](C)C(C)(C)C ZINC001329474170 935219371 /nfs/dbraw/zinc/21/93/71/935219371.db2.gz IIWVBRUMISPMPG-KGLIPLIRSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)CNC(=O)C1(CC(C)C)CCCC1 ZINC001329577048 935229587 /nfs/dbraw/zinc/22/95/87/935229587.db2.gz WGVYKGFAGGRMRV-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)C1CCC(C)(C)CC1 ZINC001329624085 935235080 /nfs/dbraw/zinc/23/50/80/935235080.db2.gz OCBBFSDWGSLPLG-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C)CCC ZINC001329908077 935253358 /nfs/dbraw/zinc/25/33/58/935253358.db2.gz JPYGEXNJCQUWDM-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO Nc1ccc(C=[NH+]OCc2ccccc2)c(Cl)c1 ZINC001330192241 935276085 /nfs/dbraw/zinc/27/60/85/935276085.db2.gz PBNGVFXWZUBPHL-UHFFFAOYSA-N 1 1 260.724 3.473 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)/C(C)=C/C)C2)C1 ZINC001330490136 935290682 /nfs/dbraw/zinc/29/06/82/935290682.db2.gz YHXGINMHIJITTF-KNDGBBJPSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CCC(=O)N1CC2(C1)CCC[N@H+](CCCCC)C2 ZINC001330500390 935290815 /nfs/dbraw/zinc/29/08/15/935290815.db2.gz WECQQAJQBRGBPZ-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO CC[N@@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)CC(C)C ZINC001330658090 935308894 /nfs/dbraw/zinc/30/88/94/935308894.db2.gz QABOKOYXQINDMQ-SFHVURJKSA-N 1 1 286.419 3.405 20 30 CGEDMO CC(C)c1cc([C@@H]2CCC[N@@H+](CC3(CC#N)CC3)C2)[nH]n1 ZINC001330723420 935317685 /nfs/dbraw/zinc/31/76/85/935317685.db2.gz UOWOMVYLBNKPAI-CQSZACIVSA-N 1 1 286.423 3.406 20 30 CGEDMO CC(C)c1cc([C@@H]2CCC[N@H+](CC3(CC#N)CC3)C2)n[nH]1 ZINC001330723420 935317692 /nfs/dbraw/zinc/31/76/92/935317692.db2.gz UOWOMVYLBNKPAI-CQSZACIVSA-N 1 1 286.423 3.406 20 30 CGEDMO CC(C)c1cc([C@@H]2CCC[N@@H+](CC3(CC#N)CC3)C2)n[nH]1 ZINC001330723420 935317699 /nfs/dbraw/zinc/31/76/99/935317699.db2.gz UOWOMVYLBNKPAI-CQSZACIVSA-N 1 1 286.423 3.406 20 30 CGEDMO C=CCO[C@@H]1CCN(c2cc(C(C)(C)C)cc[nH+]2)C1 ZINC001330815713 935324858 /nfs/dbraw/zinc/32/48/58/935324858.db2.gz BCZJJWNAHYZQSO-CQSZACIVSA-N 1 1 260.381 3.160 20 30 CGEDMO N#CCc1cccc(NC[C@H]2CC[N@H+]2C2CCCCCC2)n1 ZINC001331961379 935427215 /nfs/dbraw/zinc/42/72/15/935427215.db2.gz OJOUHDAQDIOZLB-QGZVFWFLSA-N 1 1 298.434 3.357 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1CCC[N@@H+](CCC(C)(C)C)[C@H]1C ZINC001332180789 935446251 /nfs/dbraw/zinc/44/62/51/935446251.db2.gz YNYPSGINSBSOSS-JKSUJKDBSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CCC[N@H+](CC(C)C)[C@@H]2C)CCC1 ZINC001332199654 935448878 /nfs/dbraw/zinc/44/88/78/935448878.db2.gz QYQNPSSCHZVNIO-CVEARBPZSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)C=C(CC)CC)CC1 ZINC001333322752 935526166 /nfs/dbraw/zinc/52/61/66/935526166.db2.gz DSZBKXJQOPFBSV-UHFFFAOYSA-N 1 1 276.424 3.057 20 30 CGEDMO C=CC1(CC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCCC1 ZINC001334106779 936085040 /nfs/dbraw/zinc/08/50/40/936085040.db2.gz ZVPIPXFBCMOQQY-JKSUJKDBSA-N 1 1 290.451 3.256 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC001335807426 936162306 /nfs/dbraw/zinc/16/23/06/936162306.db2.gz VTLXHEVZAOECES-OAHLLOKOSA-N 1 1 287.407 3.149 20 30 CGEDMO C=C(C)CCC(=O)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC001336806327 936218582 /nfs/dbraw/zinc/21/85/82/936218582.db2.gz OQBYOCHUBWOMRW-INIZCTEOSA-N 1 1 284.403 3.354 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC001337728170 936283834 /nfs/dbraw/zinc/28/38/34/936283834.db2.gz PDWOIGNEQLUEGA-HNNXBMFYSA-N 1 1 291.439 3.032 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC001337727824 936284419 /nfs/dbraw/zinc/28/44/19/936284419.db2.gz JAQUFKMSCFLVRD-INIZCTEOSA-N 1 1 268.360 3.012 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1csc(COC)n1 ZINC001473857493 937825254 /nfs/dbraw/zinc/82/52/54/937825254.db2.gz UJCXACYCWRLNOC-ZDUSSCGKSA-N 1 1 266.410 3.220 20 30 CGEDMO C#C[C@@H]1CCCC[N@@H+]1Cc1ccc2oc(C(=O)OC)cc2c1 ZINC001473868020 937826138 /nfs/dbraw/zinc/82/61/38/937826138.db2.gz DYHJZFXXTVFTGI-OAHLLOKOSA-N 1 1 297.354 3.207 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](N2CCCC2)C[C@@H]1C(C)C ZINC001473877993 937826866 /nfs/dbraw/zinc/82/68/66/937826866.db2.gz YXSQDYXEGADQQB-JKSUJKDBSA-N 1 1 250.430 3.147 20 30 CGEDMO N#Cc1cccc(C[NH+]2CC(Cc3ccc(Cl)cc3)C2)n1 ZINC001474568813 937867610 /nfs/dbraw/zinc/86/76/10/937867610.db2.gz NLRFWXWMGFDQLT-UHFFFAOYSA-N 1 1 297.789 3.281 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2nccc3c2CCCC3)C1 ZINC001474594781 937869297 /nfs/dbraw/zinc/86/92/97/937869297.db2.gz AMIVEMPMFUCVSX-HNNXBMFYSA-N 1 1 268.404 3.196 20 30 CGEDMO C#CC[N@H+](C)C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC001474733889 937877615 /nfs/dbraw/zinc/87/76/15/937877615.db2.gz WGVAPQQWSZODAE-NSHDSACASA-N 1 1 255.283 3.374 20 30 CGEDMO CCCCCCCCNC(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC001477295852 937894395 /nfs/dbraw/zinc/89/43/95/937894395.db2.gz WCQJWVRJERPKFE-MRXNPFEDSA-N 1 1 297.487 3.378 20 30 CGEDMO CCCCCCCCNC(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC001478235192 937903677 /nfs/dbraw/zinc/90/36/77/937903677.db2.gz YNYWSJOENTURGZ-HNNXBMFYSA-N 1 1 283.460 3.130 20 30 CGEDMO C=CCCC(C)(C)NC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC001478585698 937907638 /nfs/dbraw/zinc/90/76/38/937907638.db2.gz GZXVJSXQVJDTMC-CQSZACIVSA-N 1 1 295.471 3.151 20 30 CGEDMO C=CCCCCCCCNC(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC001478773377 937910540 /nfs/dbraw/zinc/91/05/40/937910540.db2.gz DFMIPAXKZPEBPN-INIZCTEOSA-N 1 1 295.471 3.297 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)/C(C)=C/CC)CC(C)(C)C1 ZINC001479743503 937925033 /nfs/dbraw/zinc/92/50/33/937925033.db2.gz CACGKGAGFBDGKI-NHXNDTTKSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCNC(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC001479805877 937926325 /nfs/dbraw/zinc/92/63/25/937926325.db2.gz MOQOOAKWJAPEOR-HUUCEWRRSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCNC(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC001479805877 937926326 /nfs/dbraw/zinc/92/63/26/937926326.db2.gz MOQOOAKWJAPEOR-HUUCEWRRSA-N 1 1 298.858 3.003 20 30 CGEDMO C=CCCC[N@@H+](C)CCCNC(=O)C12CCC(CC1)CC2 ZINC001479814802 937926385 /nfs/dbraw/zinc/92/63/85/937926385.db2.gz PMBUTVMHQDIHCD-UHFFFAOYSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC23CC3)C1 ZINC001479910554 937929250 /nfs/dbraw/zinc/92/92/50/937929250.db2.gz BWEFMYCCOZWJSG-JKSUJKDBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@H]2CCC[N@H+](CCC(C)C)C2)C1 ZINC001480261502 937934987 /nfs/dbraw/zinc/93/49/87/937934987.db2.gz FTVUAZNJAIVVNY-MRXNPFEDSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C2CC2)C1 ZINC001480260823 937935274 /nfs/dbraw/zinc/93/52/74/937935274.db2.gz DGVNIFKVGKZUEL-OAHLLOKOSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](CNC(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001480267223 937935648 /nfs/dbraw/zinc/93/56/48/937935648.db2.gz JCJMCMCXAWHVLR-JKSUJKDBSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2(CC)CC2)C1 ZINC001480383081 937937441 /nfs/dbraw/zinc/93/74/41/937937441.db2.gz MNCDPGKVAXFALH-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)C(=C)C)C1 ZINC001480383488 937937627 /nfs/dbraw/zinc/93/76/27/937937627.db2.gz QIEJFAOFDHFQBW-HOTGVXAUSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C2(CCC)CCC2)C1 ZINC001480732130 937942732 /nfs/dbraw/zinc/94/27/32/937942732.db2.gz AQPIYYVDZIUUSU-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)/C=C(/C)C2CC2)C1 ZINC001480719924 937942754 /nfs/dbraw/zinc/94/27/54/937942754.db2.gz LTULXIHFQQDGDP-KSVUCXBSSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]([N@@H+](C)C/C=C\Cl)C1 ZINC001480735186 937943338 /nfs/dbraw/zinc/94/33/38/937943338.db2.gz RCOOEPLFAUJEDR-JKEYDSJLSA-N 1 1 284.831 3.018 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)C1CC2(CCC2)C1 ZINC001493130464 937948107 /nfs/dbraw/zinc/94/81/07/937948107.db2.gz QBASRKUBDOKWEE-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](CNC(=O)CC2(C)CCCC2)C1 ZINC001493202709 937948735 /nfs/dbraw/zinc/94/87/35/937948735.db2.gz YOCHFATZFKJDKX-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1CC[N@H+](CC/C=C\CC)C1 ZINC001493206434 937948747 /nfs/dbraw/zinc/94/87/47/937948747.db2.gz JSCJIDDAKKZMPL-PTZVLDCSSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001493240836 937948868 /nfs/dbraw/zinc/94/88/68/937948868.db2.gz WEUPICGWVBUGTA-BRWVUGGUSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[N@@H+](CC1CCCCC1)C1CC1 ZINC001493399257 937950302 /nfs/dbraw/zinc/95/03/02/937950302.db2.gz COBGVSZFDMCPFI-UHFFFAOYSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCC[N@H+](CCNC(=O)C[C@H](CC)C(C)(C)C)C1CC1 ZINC001493436168 937950588 /nfs/dbraw/zinc/95/05/88/937950588.db2.gz ROQYRCPMBDDLAI-HNNXBMFYSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(Cl)C[N@H+](CCCNC(=O)[C@H](C)C1CC1)C(C)C ZINC001493856029 937951581 /nfs/dbraw/zinc/95/15/81/937951581.db2.gz SRWXOCYBRPHQET-CYBMUJFWSA-N 1 1 286.847 3.002 20 30 CGEDMO CC#CC[N@@H+](CCCNC(=O)C[C@H]1CCC[C@H]1C)C(C)C ZINC001493859850 937951731 /nfs/dbraw/zinc/95/17/31/937951731.db2.gz ZKRDEKRJQYGILN-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C/C(C)=C\CC(=O)NCC[C@H]1CC[N@H+](CCC(=C)C)C1 ZINC001494049852 937953073 /nfs/dbraw/zinc/95/30/73/937953073.db2.gz PQFLGNXKMPADAU-CVWPPMRVSA-N 1 1 290.451 3.303 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)C(=C)C)C1 ZINC001494150341 937953714 /nfs/dbraw/zinc/95/37/14/937953714.db2.gz RYVAUSPQYCTKHT-CQSZACIVSA-N 1 1 298.858 3.122 20 30 CGEDMO CC#CC[N@H+](C)CC1CCN(C(=O)CC(CC)CC)CC1 ZINC001494211019 937953871 /nfs/dbraw/zinc/95/38/71/937953871.db2.gz ZVCCBNUBRFOQJD-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)CCCC2CCCC2)C1 ZINC001494737540 937955939 /nfs/dbraw/zinc/95/59/39/937955939.db2.gz FONNUZZDYXTUHD-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)c2c(C)coc2C)C1 ZINC001494820790 937956526 /nfs/dbraw/zinc/95/65/26/937956526.db2.gz CWFWMLKYGMOANU-OAHLLOKOSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](CCC)CC(C)C)C1 ZINC001494873405 937957089 /nfs/dbraw/zinc/95/70/89/937957089.db2.gz AXDKBAFBCSCZLD-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCCC(=O)N1CCC2(CC[N@H+](CCCF)C2)CC1 ZINC001495602059 937959952 /nfs/dbraw/zinc/95/99/52/937959952.db2.gz ZBQFBASAXQLWPI-UHFFFAOYSA-N 1 1 296.430 3.017 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)c1ccccc1 ZINC001496654349 937963321 /nfs/dbraw/zinc/96/33/21/937963321.db2.gz WYZYTXRJWMZOSZ-HNNXBMFYSA-N 1 1 274.408 3.045 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)C1CC2(CCC2)C1 ZINC001496765040 937963836 /nfs/dbraw/zinc/96/38/36/937963836.db2.gz UXFRZQQJQUFLLT-OAHLLOKOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCCCC)C1 ZINC001496859945 937964559 /nfs/dbraw/zinc/96/45/59/937964559.db2.gz ANLUIWJGPQJCQD-SJORKVTESA-N 1 1 292.467 3.456 20 30 CGEDMO CCCCCCC[N@@H+](C)C[C@@H](C)NC(=O)C#CC(C)C ZINC001498277625 937968932 /nfs/dbraw/zinc/96/89/32/937968932.db2.gz WHJKICTUOZZZOW-MRXNPFEDSA-N 1 1 280.456 3.053 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)C(C)(C)C(C)C ZINC001498295538 937969063 /nfs/dbraw/zinc/96/90/63/937969063.db2.gz UISAOLKPYXFZIZ-LSDHHAIUSA-N 1 1 282.472 3.460 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H]1CC[N@@H+]1CCCC(C)(C)C ZINC001499036835 937972220 /nfs/dbraw/zinc/97/22/20/937972220.db2.gz HKZXEPRYVSXWCE-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@@H+](CC1CC1)C1CCN(C(=O)C2CC2)CC1 ZINC001499523004 937973728 /nfs/dbraw/zinc/97/37/28/937973728.db2.gz ITARSTSQEVDOGZ-UHFFFAOYSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC(=O)N[C@@]1(C)CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001500189531 937976226 /nfs/dbraw/zinc/97/62/26/937976226.db2.gz IIGBXHSZYMVARX-YJBOKZPZSA-N 1 1 286.419 3.294 20 30 CGEDMO C#CCCCC(=O)N[C@@]1(C)CC[N@H+](CC/C=C/CCC)C1 ZINC001500211893 937976230 /nfs/dbraw/zinc/97/62/30/937976230.db2.gz DLAFLCQEZQMBLM-BLGFXRMMSA-N 1 1 290.451 3.117 20 30 CGEDMO C#CCCCC(=O)N[C@@]1(C)CC[N@H+](CC/C=C\CCC)C1 ZINC001500211896 937976257 /nfs/dbraw/zinc/97/62/57/937976257.db2.gz DLAFLCQEZQMBLM-GIFJBRJJSA-N 1 1 290.451 3.117 20 30 CGEDMO C=CCCC(=O)N[C@]1(C)CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001500192174 937976342 /nfs/dbraw/zinc/97/63/42/937976342.db2.gz YWXPKZOBELOFAV-GOSISDBHSA-N 1 1 286.419 3.042 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@](C)(CNC(=O)CCC)C1 ZINC001500470096 937977526 /nfs/dbraw/zinc/97/75/26/937977526.db2.gz XGDNFOFJDWYNFJ-WBVHZDCISA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)C[C@H]1CCC[C@H]1C ZINC001502336817 937981816 /nfs/dbraw/zinc/98/18/16/937981816.db2.gz XXSCJGLQUMDFOZ-HZPDHXFCSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[N@H+](C)CCCN(C)C(=O)CC1CCCCCC1 ZINC001502378620 937982308 /nfs/dbraw/zinc/98/23/08/937982308.db2.gz DWEMMQONRCVEQX-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCCC(=O)N1CCC[C@]2(CC[N@H+](C[C@H](F)CC)C2)C1 ZINC001502541393 937982609 /nfs/dbraw/zinc/98/26/09/937982609.db2.gz NUXPYNRCDZREDW-NVXWUHKLSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)CCCC ZINC001505421083 937985301 /nfs/dbraw/zinc/98/53/01/937985301.db2.gz PGPCFZIDYSXQBI-HNNXBMFYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)C1CCCCC1 ZINC001505858351 937987297 /nfs/dbraw/zinc/98/72/97/937987297.db2.gz LMMCHGYVNKBOFD-HUUCEWRRSA-N 1 1 280.456 3.358 20 30 CGEDMO C#CCC[N@H+](C)[C@H](C)CNC(=O)C(C)(C)C1CCCCC1 ZINC001506016910 937988498 /nfs/dbraw/zinc/98/84/98/937988498.db2.gz JYZLEVVUDYYRRQ-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)C[C@@H](C)CCC ZINC001506560290 937990781 /nfs/dbraw/zinc/99/07/81/937990781.db2.gz HZAHGYRFNONXGO-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@@H](CC)C(C)C ZINC001506577913 937990994 /nfs/dbraw/zinc/99/09/94/937990994.db2.gz DMTIQILFLBUICX-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@H](CC)C(C)C ZINC001506577910 937991030 /nfs/dbraw/zinc/99/10/30/937991030.db2.gz DMTIQILFLBUICX-DLBZAZTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)CC)C(C)(C)C1 ZINC001506746760 937991669 /nfs/dbraw/zinc/99/16/69/937991669.db2.gz AXYVQOVISDUKFH-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CCCCCCC(=O)N1CCC([N@@H+](C)CCC=C)CC1 ZINC001506963620 937993354 /nfs/dbraw/zinc/99/33/54/937993354.db2.gz FJALXGNGDBIDOZ-UHFFFAOYSA-N 1 1 290.451 3.069 20 30 CGEDMO C=C(C)CCC(=O)N1CCC([N@H+](C)C[C@H](C)CC)CC1 ZINC001506958999 937993360 /nfs/dbraw/zinc/99/33/60/937993360.db2.gz SDTYFQBJJGVYDK-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)CCCC)CCC[C@H]12 ZINC001507336554 937995266 /nfs/dbraw/zinc/99/52/66/937995266.db2.gz SYOHBNUOEGOHQQ-DZGCQCFKSA-N 1 1 284.831 3.042 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)CCCC)CCC[C@H]12 ZINC001507336554 937995267 /nfs/dbraw/zinc/99/52/67/937995267.db2.gz SYOHBNUOEGOHQQ-DZGCQCFKSA-N 1 1 284.831 3.042 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)CCC2CC2)[C@H]1C ZINC001507372052 937995477 /nfs/dbraw/zinc/99/54/77/937995477.db2.gz ITVCQCQRIXXRAH-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C2(CC)CCC2)[C@H]1C ZINC001507381028 937995668 /nfs/dbraw/zinc/99/56/68/937995668.db2.gz HWUCPHQJNQTZMD-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)CC(C)(C)C2CC2)CC1 ZINC001508203506 937998613 /nfs/dbraw/zinc/99/86/13/937998613.db2.gz SKQMPOHGESRVTI-UHFFFAOYSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)c1 ZINC001520336221 938024837 /nfs/dbraw/zinc/02/48/37/938024837.db2.gz CIUGPNHUIDADRW-DJIMGWMZSA-N 1 1 299.418 3.181 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)c1 ZINC001520336222 938024948 /nfs/dbraw/zinc/02/49/48/938024948.db2.gz CIUGPNHUIDADRW-HYVNUMGLSA-N 1 1 299.418 3.181 20 30 CGEDMO Cc1cc(NC(=O)c2sccc2CC#N)cn2cc[nH+]c12 ZINC001526935935 938059030 /nfs/dbraw/zinc/05/90/30/938059030.db2.gz WLVFQCKPKTWCBQ-UHFFFAOYSA-N 1 1 296.355 3.023 20 30 CGEDMO Cc1cc(NC[C@H](C)[N@@H+](C)Cc2ccccc2)ncc1C#N ZINC001559107173 938220424 /nfs/dbraw/zinc/22/04/24/938220424.db2.gz SRKQOSJWIJTKRD-HNNXBMFYSA-N 1 1 294.402 3.194 20 30 CGEDMO C#CC[N@H+](C[C@H]1CC(C)(C)CO1)[C@@H]1CCc2ccccc21 ZINC001559499442 938227658 /nfs/dbraw/zinc/22/76/58/938227658.db2.gz UITPGBTWJJMBDD-SJLPKXTDSA-N 1 1 283.415 3.424 20 30 CGEDMO C=CC[C@H](C(=O)OC)[N@H+]1C[C@H](c2ccccc2C)C[C@H]1C ZINC001559554935 938229483 /nfs/dbraw/zinc/22/94/83/938229483.db2.gz OATFDMRBXLIFDJ-BFYDXBDKSA-N 1 1 287.403 3.291 20 30 CGEDMO C#CCCCCCC[N@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001559562508 938229785 /nfs/dbraw/zinc/22/97/85/938229785.db2.gz DGRWIVLNEBQLQV-STQMWFEESA-N 1 1 277.330 3.222 20 30 CGEDMO C#CCCCCCC[N@@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001559562508 938229786 /nfs/dbraw/zinc/22/97/86/938229786.db2.gz DGRWIVLNEBQLQV-STQMWFEESA-N 1 1 277.330 3.222 20 30 CGEDMO C#CCCCCCC[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001559577149 938230044 /nfs/dbraw/zinc/23/00/44/938230044.db2.gz YKBSWVMGWVGCPE-UHFFFAOYSA-N 1 1 272.348 3.494 20 30 CGEDMO C#CCCCCCC[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001559577149 938230045 /nfs/dbraw/zinc/23/00/45/938230045.db2.gz YKBSWVMGWVGCPE-UHFFFAOYSA-N 1 1 272.348 3.494 20 30 CGEDMO C#CC[N@@H+](CC)CCn1ccc2cc(Cl)ccc21 ZINC001559581626 938230155 /nfs/dbraw/zinc/23/01/55/938230155.db2.gz MTKJXSRCUKKYQK-UHFFFAOYSA-N 1 1 260.768 3.250 20 30 CGEDMO C=C(Cl)C[N@@H+]1Cc2ccccc2N(C)C[C@H]1CC ZINC001559593538 938230613 /nfs/dbraw/zinc/23/06/13/938230613.db2.gz FEXLZIUNUIRWOY-CQSZACIVSA-N 1 1 264.800 3.470 20 30 CGEDMO C#CC[C@@H]([NH2+]Cc1cccc(F)n1)c1ccccc1 ZINC001559702578 938233165 /nfs/dbraw/zinc/23/31/65/938233165.db2.gz VXOMWHNTUQOUCC-OAHLLOKOSA-N 1 1 254.308 3.075 20 30 CGEDMO CCCCCCCCCC[N@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC001559902953 938238368 /nfs/dbraw/zinc/23/83/68/938238368.db2.gz MHQCUBGRYLWOPB-CVEARBPZSA-N 1 1 271.445 3.209 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001559940860 938239806 /nfs/dbraw/zinc/23/98/06/938239806.db2.gz DNTYWSUOELVXLN-HZSPNIEDSA-N 1 1 267.413 3.251 20 30 CGEDMO C=C(C)C[N@@H+](C)CCCN(C(=O)OC(C)(C)C)C1CC1 ZINC001560014979 938241918 /nfs/dbraw/zinc/24/19/18/938241918.db2.gz OCQOMZBATVLUJX-UHFFFAOYSA-N 1 1 282.428 3.284 20 30 CGEDMO C[N@@H+](CCCOc1cccc(C#N)c1)C[C@H]1CC1(C)C ZINC001560028848 938242235 /nfs/dbraw/zinc/24/22/35/938242235.db2.gz FYTBVVUOIOXKNJ-OAHLLOKOSA-N 1 1 272.392 3.305 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@@]2(C)C1 ZINC001560126654 938244628 /nfs/dbraw/zinc/24/46/28/938244628.db2.gz PXZVJTGVQNJXGZ-ZWKOTPCHSA-N 1 1 270.420 3.016 20 30 CGEDMO C=C(C)CN1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001560126654 938244629 /nfs/dbraw/zinc/24/46/29/938244629.db2.gz PXZVJTGVQNJXGZ-ZWKOTPCHSA-N 1 1 270.420 3.016 20 30 CGEDMO C=C(C)CN1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001560126654 938244630 /nfs/dbraw/zinc/24/46/30/938244630.db2.gz PXZVJTGVQNJXGZ-ZWKOTPCHSA-N 1 1 270.420 3.016 20 30 CGEDMO C#CC[N@@H+](C[C@@H]1C[C@@]12CCOC2)[C@H]1CCCc2ccccc21 ZINC001560172529 938246156 /nfs/dbraw/zinc/24/61/56/938246156.db2.gz ZCWVWJUSWPHBKV-YSIASYRMSA-N 1 1 295.426 3.426 20 30 CGEDMO C=CCC[C@H]1CCC[N@H+]1C[C@H]1COC2(CCCCC2)O1 ZINC001560200370 938246738 /nfs/dbraw/zinc/24/67/38/938246738.db2.gz VJQRGGMLMGVPNS-HOTGVXAUSA-N 1 1 279.424 3.493 20 30 CGEDMO C=CCCC[N@H+](CC)CCc1ccc2c(c1)CCO2 ZINC001560204455 938246988 /nfs/dbraw/zinc/24/69/88/938246988.db2.gz LXNVNCNCHVVUHI-UHFFFAOYSA-N 1 1 259.393 3.452 20 30 CGEDMO Cc1cccnc1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC001560220583 938247678 /nfs/dbraw/zinc/24/76/78/938247678.db2.gz BHZRBODNTLQDGB-GFCCVEGCSA-N 1 1 296.330 3.021 20 30 CGEDMO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](CCCCC)C(=O)OC)C1 ZINC001560764030 938274750 /nfs/dbraw/zinc/27/47/50/938274750.db2.gz RCDWTKDJAZINTQ-ILXRZTDVSA-N 1 1 267.413 3.443 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C)cc1 ZINC001560876794 938281519 /nfs/dbraw/zinc/28/15/19/938281519.db2.gz AOTSXFOJORLENM-AWEZNQCLSA-N 1 1 287.403 3.078 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+]([C@H](C)c2ncc(C(=O)OC)s2)C1 ZINC001560924150 938284222 /nfs/dbraw/zinc/28/42/22/938284222.db2.gz ZYYNTVPMMSRQFF-VXGBXAGGSA-N 1 1 294.420 3.279 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@H](C)c2ncc(C(=O)OC)s2)C1 ZINC001560924150 938284224 /nfs/dbraw/zinc/28/42/24/938284224.db2.gz ZYYNTVPMMSRQFF-VXGBXAGGSA-N 1 1 294.420 3.279 20 30 CGEDMO C=CCCC(=O)NCC1=CC[N@@H+](CCCC(C)C)CC1 ZINC001486504479 957834478 /nfs/dbraw/zinc/83/44/78/957834478.db2.gz ZJXVHPFFIMQOQI-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H](C)C[NH2+]C/C(Cl)=C/Cl ZINC001569016217 960448718 /nfs/dbraw/zinc/44/87/18/960448718.db2.gz QOMJAFXVPXXXND-QRULVBPYSA-N 1 1 293.238 3.002 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)/C=C/C(C)(C)C)C1 ZINC001569631786 960449527 /nfs/dbraw/zinc/44/95/27/960449527.db2.gz HNJDTKKYNHJLHA-UGAXZCSASA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@]1(C)CCC(C)=C(C)C1 ZINC001570753653 960456241 /nfs/dbraw/zinc/45/62/41/960456241.db2.gz NJADVKJKPKDUBA-DOTOQJQBSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1CC[N@@H+](CCCC(C)C)C1 ZINC001566673087 960568966 /nfs/dbraw/zinc/56/89/66/960568966.db2.gz ZREATGGNQDCVKA-JKSUJKDBSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCCC(=O)NC[C@@H]1CCC[N@H+](CCC(C)C)C1 ZINC001566876731 960570755 /nfs/dbraw/zinc/57/07/55/960570755.db2.gz KATIQQVGNXFWDX-INIZCTEOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(CCC)CC1 ZINC001565827164 960841500 /nfs/dbraw/zinc/84/15/00/960841500.db2.gz ZYFPKEOUVDNDEC-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)CCC)[C@H]1CC ZINC001566009636 960868371 /nfs/dbraw/zinc/86/83/71/960868371.db2.gz SAOPRAQURHRGSQ-FPMFFAJLSA-N 1 1 286.847 3.144 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)CCC)[C@H]1CC ZINC001566009636 960868392 /nfs/dbraw/zinc/86/83/92/960868392.db2.gz SAOPRAQURHRGSQ-FPMFFAJLSA-N 1 1 286.847 3.144 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C2CC3(CCC3)C2)[C@H]1C ZINC001566100337 960879687 /nfs/dbraw/zinc/87/96/87/960879687.db2.gz CYMOLUDQKUZKOS-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1C ZINC001566124508 960894166 /nfs/dbraw/zinc/89/41/66/960894166.db2.gz WAFWFHNUUAOUMW-QAETUUGQSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[N@H+](CC(=C)C)CC(C)(C)C1 ZINC001566131917 960896310 /nfs/dbraw/zinc/89/63/10/960896310.db2.gz SCUWPVYOSMGSNB-OAHLLOKOSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)C[N@H+](C)CCCNC(=O)[C@H]1CCC[C@H]1CCC ZINC001566468466 960940908 /nfs/dbraw/zinc/94/09/08/960940908.db2.gz BGFQARNOHQCOCH-CVEARBPZSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCC[N@@H+](C)CCCNC(=O)[C@@H]1CC2CCC1CC2 ZINC001566520110 960950436 /nfs/dbraw/zinc/95/04/36/960950436.db2.gz QVWMTGBPIBPLHU-OFLPRAFFSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)C(C)(C)C)C1 ZINC001566625807 960974973 /nfs/dbraw/zinc/97/49/73/960974973.db2.gz PSMPCWVITWOODB-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001566626494 960979438 /nfs/dbraw/zinc/97/94/38/960979438.db2.gz OKMQHHGLEVSPLC-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001566682026 960989347 /nfs/dbraw/zinc/98/93/47/960989347.db2.gz MKMAEWKSZXZDMO-GOSISDBHSA-N 1 1 298.430 3.334 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H](C[N@H+](C)CC[C@@H](C)F)C1 ZINC001566741636 960994122 /nfs/dbraw/zinc/99/41/22/960994122.db2.gz HEDASHVBQSYOBM-HZPDHXFCSA-N 1 1 298.446 3.261 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CCC ZINC001566750752 961008665 /nfs/dbraw/zinc/00/86/65/961008665.db2.gz QNIPZSHUVKXWPU-TWMKSMIVSA-N 1 1 292.467 3.453 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001566820187 961022881 /nfs/dbraw/zinc/02/28/81/961022881.db2.gz IRQDLVDOVLKGBX-MQVJKMGUSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H](CNC(=O)C[C@H]2C=CCC2)C1 ZINC001566866568 961036542 /nfs/dbraw/zinc/03/65/42/961036542.db2.gz ZRZKHRVKMDAYFY-DLBZAZTESA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1CCCC[N@H+]1CC1CCC1 ZINC001566924173 961065314 /nfs/dbraw/zinc/06/53/14/961065314.db2.gz IRZOWAJWDSIFSZ-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)C2CC2)C1 ZINC001566963303 961074651 /nfs/dbraw/zinc/07/46/51/961074651.db2.gz SCEUOSPDGSVYCK-GJZGRUSLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC2(C)C)C1 ZINC001567196780 961138343 /nfs/dbraw/zinc/13/83/43/961138343.db2.gz QFURQWVQJRSZHQ-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)c1cc(C)cs1 ZINC001567249221 961154741 /nfs/dbraw/zinc/15/47/41/961154741.db2.gz FDKYBWKCWDTDRO-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H](C)C(C)(C)C ZINC001567253391 961155229 /nfs/dbraw/zinc/15/52/29/961155229.db2.gz DIOWENRUDUQAAA-JKSUJKDBSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCC1(C)C ZINC001567257892 961157634 /nfs/dbraw/zinc/15/76/34/961157634.db2.gz SAJITPFDRNRWOD-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)[C@H]1CCC=CCCC1 ZINC001567336262 961299431 /nfs/dbraw/zinc/29/94/31/961299431.db2.gz USHNUONOGKFLHR-INIZCTEOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)CC(C)(C)C2CC2)C1 ZINC001567398819 961328939 /nfs/dbraw/zinc/32/89/39/961328939.db2.gz INDDAHXGTJXUDL-CYBMUJFWSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)CC(C)(C)C2CC2)C1 ZINC001567398819 961328966 /nfs/dbraw/zinc/32/89/66/961328966.db2.gz INDDAHXGTJXUDL-CYBMUJFWSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H](CNC(=O)C=C(C)C)c1ccccc1 ZINC001567655997 961381273 /nfs/dbraw/zinc/38/12/73/961381273.db2.gz HDGZOIDYWJGSIF-HNNXBMFYSA-N 1 1 292.810 3.152 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](CCNC(=O)c2cccc(C)c2)C1 ZINC001567691109 961407407 /nfs/dbraw/zinc/40/74/07/961407407.db2.gz KASSYSBIZQGLGC-MRXNPFEDSA-N 1 1 286.419 3.013 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC001567722379 961412332 /nfs/dbraw/zinc/41/23/32/961412332.db2.gz IVQRYWGMAPIJHO-SJORKVTESA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)CC(CC)CC)C1 ZINC001567738078 961413098 /nfs/dbraw/zinc/41/30/98/961413098.db2.gz BNOISOBZDHKFFF-INIZCTEOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@H]1CCN(C(=O)C2CCC2)C1 ZINC001567722535 961415689 /nfs/dbraw/zinc/41/56/89/961415689.db2.gz MZISJNJPIAFBOC-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)C(CC)CC)C1 ZINC001567723148 961415927 /nfs/dbraw/zinc/41/59/27/961415927.db2.gz WDYXZAQUYOLXMH-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC(=O)N1CCC(C[N@H+](C)[C@@H](C)CCC=C)CC1 ZINC001567743960 961417959 /nfs/dbraw/zinc/41/79/59/961417959.db2.gz AJKXBKQGUPHLMY-INIZCTEOSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](CCNC(=O)c2ccoc2C(C)C)C1 ZINC001567715468 961419598 /nfs/dbraw/zinc/41/95/98/961419598.db2.gz KHQXIFPQMRFMTQ-AWEZNQCLSA-N 1 1 290.407 3.031 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](CCNC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001567714199 961420282 /nfs/dbraw/zinc/42/02/82/961420282.db2.gz GOKHUKIDQYJPRY-WMZOPIPTSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C2(CC(C)C)CCCC2)C1 ZINC001567778005 961426640 /nfs/dbraw/zinc/42/66/40/961426640.db2.gz JECLHUYPBVTDBX-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC(=O)NC1C[NH+]([C@@H](C)c2ccc3c(c2)CCC3)C1 ZINC001567786956 961427686 /nfs/dbraw/zinc/42/76/86/961427686.db2.gz SFXPVVNCICLZJG-AWEZNQCLSA-N 1 1 298.430 3.003 20 30 CGEDMO C#CCCCCCC(=O)NC1C[NH+]([C@H](C)c2ccccc2)C1 ZINC001567802127 961437976 /nfs/dbraw/zinc/43/79/76/961437976.db2.gz GIYUXQHSQBPJBB-MRXNPFEDSA-N 1 1 298.430 3.132 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)CCCCC ZINC001567861751 961441744 /nfs/dbraw/zinc/44/17/44/961441744.db2.gz ANWQYEMWPXGUIJ-IKGGRYGDSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001567925744 961463603 /nfs/dbraw/zinc/46/36/03/961463603.db2.gz SNCZHEDYDQMHFJ-ULQDDVLXSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H](CC)SC)C1 ZINC001567936120 961464349 /nfs/dbraw/zinc/46/43/49/961464349.db2.gz OJMOMSLWENTFMF-LSDHHAIUSA-N 1 1 298.496 3.017 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC2(CC[N@H+](C(C)C)C2)CC1 ZINC001568155253 961518422 /nfs/dbraw/zinc/51/84/22/961518422.db2.gz IMMDNFUXPKERBZ-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CC[C@H](C)C2)CC1 ZINC001568439301 961572171 /nfs/dbraw/zinc/57/21/71/961572171.db2.gz OHXBPCOOWQMWKX-DOTOQJQBSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+](C)CCC1CCN(C(=O)[C@H](C)C(C)(C)C)CC1 ZINC001568437652 961573824 /nfs/dbraw/zinc/57/38/24/961573824.db2.gz CYNMQXVLWVYYAQ-HNNXBMFYSA-N 1 1 294.483 3.415 20 30 CGEDMO C#CCCCCC(=O)N(C)CC[N@@H+](C)CC1CCCCC1 ZINC001568478819 961589237 /nfs/dbraw/zinc/58/92/37/961589237.db2.gz KHHUXXGKFKKXPT-UHFFFAOYSA-N 1 1 292.467 3.151 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@H]1C[C@]1(C)C(C)C ZINC001568500302 961594844 /nfs/dbraw/zinc/59/48/44/961594844.db2.gz IVZXWXXFHXUVNG-NVXWUHKLSA-N 1 1 280.456 3.025 20 30 CGEDMO C=CC[N@H+](C)CCN(C)C(=O)C[C@H](C)c1ccccc1C ZINC001568497633 961597788 /nfs/dbraw/zinc/59/77/88/961597788.db2.gz LHFAPWUBCNLHIR-INIZCTEOSA-N 1 1 288.435 3.065 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CC3(C)CC3)CC[C@@H]21 ZINC001568514557 961607478 /nfs/dbraw/zinc/60/74/78/961607478.db2.gz ZBLPCUAFKLKCQB-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)CC1CCCCC1 ZINC001569103949 961684969 /nfs/dbraw/zinc/68/49/69/961684969.db2.gz PSQSGCOTUVSGNQ-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CCCCC(=O)N[C@H](C)C[N@@H+](C)CCC1=CCCCC1 ZINC001569114165 961690305 /nfs/dbraw/zinc/69/03/05/961690305.db2.gz CIXMGLNUTLURDO-MRXNPFEDSA-N 1 1 290.451 3.117 20 30 CGEDMO C=CC[N@H+](C)C[C@H](C)NC(=O)c1cc2cscc2s1 ZINC001569127734 961698991 /nfs/dbraw/zinc/69/89/91/961698991.db2.gz HSRVTLSUCZXGBD-JTQLQIEISA-N 1 1 294.445 3.199 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)c1sccc1Cl ZINC001569118317 961701588 /nfs/dbraw/zinc/70/15/88/961701588.db2.gz QRFWEAYAICOEHD-JTQLQIEISA-N 1 1 286.828 3.028 20 30 CGEDMO C=CC[N@H+](C)C[C@@H](C)NC(=O)CC/C=C/c1ccccc1 ZINC001569137636 961703170 /nfs/dbraw/zinc/70/31/70/961703170.db2.gz GDUIANYPHYUEMD-OQRGYWNNSA-N 1 1 286.419 3.103 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)c1cc(C)cs1 ZINC001569355430 961745478 /nfs/dbraw/zinc/74/54/78/961745478.db2.gz JTUXDPOEJKOLJP-KGLIPLIRSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)C1CCCCC1 ZINC001569375626 961752218 /nfs/dbraw/zinc/75/22/18/961752218.db2.gz AVTXNDMKRLLFRO-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)C1CCCCC1 ZINC001569375626 961752227 /nfs/dbraw/zinc/75/22/27/961752227.db2.gz AVTXNDMKRLLFRO-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@@H]1CC[N@H+]1CC1CCCCC1 ZINC001569369638 961752306 /nfs/dbraw/zinc/75/23/06/961752306.db2.gz IWFZBSWCNOTJJK-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC23CC3)C1 ZINC001569647369 961806928 /nfs/dbraw/zinc/80/69/28/961806928.db2.gz DWEWSUALQWTWKL-RDJZCZTQSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)/C=C(/C)C2CC2)C1 ZINC001569710404 961825793 /nfs/dbraw/zinc/82/57/93/961825793.db2.gz SEZWLWKJNOWLDC-BXBOZWQASA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC/C=C/CC)C2 ZINC001569794755 961837840 /nfs/dbraw/zinc/83/78/40/961837840.db2.gz NDUNRJKILFMYES-JROUCQTNSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](C)CC ZINC001569906257 961870778 /nfs/dbraw/zinc/87/07/78/961870778.db2.gz JCFMCJBUNNUTEC-HRCADAONSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)CCCC)CC1 ZINC001570175040 961910789 /nfs/dbraw/zinc/91/07/89/961910789.db2.gz NWQUIIQVTQHYAY-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO CC#CCCCC(=O)N[C@H]1CCC[N@H+](C[C@@H](C)CC)CC1 ZINC001570181832 961923719 /nfs/dbraw/zinc/92/37/19/961923719.db2.gz QWUCLNXYGGHKHH-IRXDYDNUSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CCC[N@H+](CCC(C)C)CC1 ZINC001570181578 961925832 /nfs/dbraw/zinc/92/58/32/961925832.db2.gz MIJWRDRHNWXDEW-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCC)C2 ZINC001570271657 961945597 /nfs/dbraw/zinc/94/55/97/961945597.db2.gz LYZHLFZGSNKWGS-AEFFLSMTSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)CC(C)=C(C)C)C(C)(C)C1 ZINC001570395604 961956868 /nfs/dbraw/zinc/95/68/68/961956868.db2.gz MMPYEUZXEPQFTG-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC2CCC2)[C@H](C)C1 ZINC001570440466 961965857 /nfs/dbraw/zinc/96/58/57/961965857.db2.gz MAVHAVROSRJJHL-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](CCCCCF)[C@H](C)C1 ZINC001570439995 961971118 /nfs/dbraw/zinc/97/11/18/961971118.db2.gz HBANPJPWIQHOHZ-CABCVRRESA-N 1 1 298.446 3.308 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C=C)c1ccccc1 ZINC001570547537 961999368 /nfs/dbraw/zinc/99/93/68/961999368.db2.gz FDWQDKDMYPGMDC-MSOLQXFVSA-N 1 1 298.430 3.065 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)c1ccc(Cl)cc1 ZINC001570734074 962061694 /nfs/dbraw/zinc/06/16/94/962061694.db2.gz MGKHCTMWJSSTOC-QWHCGFSZSA-N 1 1 294.826 3.066 20 30 CGEDMO C#CC[N@H+](C)[C@H](C)CNC(=O)[C@H](CC)CC1CCCCC1 ZINC001570740673 962079423 /nfs/dbraw/zinc/07/94/23/962079423.db2.gz UHGFQTHDNGLAQR-NVXWUHKLSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)C=C1CCC1 ZINC001570819949 962093984 /nfs/dbraw/zinc/09/39/84/962093984.db2.gz HIMWBPZRIIGOAK-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)/C=C(/C)CC)C2)C1 ZINC001571035594 962116593 /nfs/dbraw/zinc/11/65/93/962116593.db2.gz JBGTYTCKRHUGGK-WJDWOHSUSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[C@H]2C[N@H+](CCCC)C[C@@H]2C1 ZINC001571023636 962117345 /nfs/dbraw/zinc/11/73/45/962117345.db2.gz RJKAHAYIRVTGJX-HRCADAONSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[N@H+]1CC[C@]2(NC(=O)/C(C)=C/C)CCC[C@@H]12 ZINC001571498356 962167209 /nfs/dbraw/zinc/16/72/09/962167209.db2.gz CGFMNMWHZWJPLU-MMNVJINWSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CCC[N@@H+](CCC(=C)C)[C@@H]1C ZINC001571522750 962168224 /nfs/dbraw/zinc/16/82/24/962168224.db2.gz JKYPSUYXJUJKFT-HZPDHXFCSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C2(CCF)CC2)[C@H]1C ZINC001571520768 962173796 /nfs/dbraw/zinc/17/37/96/962173796.db2.gz JYBYKVLNPDINNV-CABCVRRESA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)/C(C)=C\CC)CC1 ZINC001571647219 962205297 /nfs/dbraw/zinc/20/52/97/962205297.db2.gz YFFFIZOLGPGCLG-ZDWRTJATSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H](C)[C@@H](C)CC ZINC001573341924 962247573 /nfs/dbraw/zinc/24/75/73/962247573.db2.gz RFLHMEGJPJSDDL-KBPBESRZSA-N 1 1 299.422 3.289 20 30 CGEDMO CCC(CC)CN(CCC#N)C(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC001585341710 963005925 /nfs/dbraw/zinc/00/59/25/963005925.db2.gz CKHUGWCYORKIHV-OAHLLOKOSA-N 1 1 293.455 3.038 20 30 CGEDMO C=CCCCCCN(C)C(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC001586583466 963117307 /nfs/dbraw/zinc/11/73/07/963117307.db2.gz MKYKXYDBRWXTGO-MRXNPFEDSA-N 1 1 278.440 3.208 20 30 CGEDMO CCc1nocc1C[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000590190405 346835642 /nfs/dbraw/zinc/83/56/42/346835642.db2.gz CKCGLASETYXDHG-UHFFFAOYSA-N 1 1 275.739 3.052 20 30 CGEDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)CC3(C#N)CC3)c2C1 ZINC000590309860 346842024 /nfs/dbraw/zinc/84/20/24/346842024.db2.gz XPWSREOBSMYBJV-UHFFFAOYSA-N 1 1 297.402 3.291 20 30 CGEDMO COc1cccc2c1C[N@H+](Cc1cccc(C#N)c1)CC2 ZINC000590660536 346860618 /nfs/dbraw/zinc/86/06/18/346860618.db2.gz AKHFGYXGVPJFJO-UHFFFAOYSA-N 1 1 278.355 3.125 20 30 CGEDMO COc1cccc2c1C[N@@H+](Cc1cccc(C#N)c1)CC2 ZINC000590660536 346860623 /nfs/dbraw/zinc/86/06/23/346860623.db2.gz AKHFGYXGVPJFJO-UHFFFAOYSA-N 1 1 278.355 3.125 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000096956157 185140491 /nfs/dbraw/zinc/14/04/91/185140491.db2.gz FHKBAAKIBPHEPW-UHFFFAOYSA-N 1 1 278.783 3.090 20 30 CGEDMO C=CC[N@H+](C)Cc1cn(-c2cccc(C)c2)nc1C ZINC000651766995 398285487 /nfs/dbraw/zinc/28/54/87/398285487.db2.gz BAXQZVQMPBKWML-UHFFFAOYSA-N 1 1 255.365 3.107 20 30 CGEDMO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)c2noc(COC(C)C)n2)C1 ZINC000651814796 398291666 /nfs/dbraw/zinc/29/16/66/398291666.db2.gz LFWDTSJHVQHQBO-MGPQQGTHSA-N 1 1 293.411 3.390 20 30 CGEDMO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)c2noc(COCC)n2)C1 ZINC000651814225 398291772 /nfs/dbraw/zinc/29/17/72/398291772.db2.gz NNRCGOJGGKEGBX-XQQFMLRXSA-N 1 1 279.384 3.002 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccncc1F ZINC000337950736 214328033 /nfs/dbraw/zinc/32/80/33/214328033.db2.gz MJRKQQFZTQXPEP-SNVBAGLBSA-N 1 1 273.286 3.082 20 30 CGEDMO COC[C@]1(C)CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000590747026 346871648 /nfs/dbraw/zinc/87/16/48/346871648.db2.gz YARCOWVMWTXGAD-GOSISDBHSA-N 1 1 286.419 3.346 20 30 CGEDMO CC[C@H](F)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000440796947 529436206 /nfs/dbraw/zinc/43/62/06/529436206.db2.gz XYAKGAHNESJLDL-INIZCTEOSA-N 1 1 258.340 3.395 20 30 CGEDMO C[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)c1ccc(C#N)c(F)c1 ZINC000590779989 346876035 /nfs/dbraw/zinc/87/60/35/346876035.db2.gz VEEHFXABEIEIRU-ZIBATOQPSA-N 1 1 284.338 3.250 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)ccn1 ZINC000591475764 346926721 /nfs/dbraw/zinc/92/67/21/346926721.db2.gz YUEJVMLEPMBATR-LBPRGKRZSA-N 1 1 283.297 3.118 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)ccn1 ZINC000591475764 346926723 /nfs/dbraw/zinc/92/67/23/346926723.db2.gz YUEJVMLEPMBATR-LBPRGKRZSA-N 1 1 283.297 3.118 20 30 CGEDMO CC[C@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(C#N)cc1 ZINC000591583002 346929992 /nfs/dbraw/zinc/92/99/92/346929992.db2.gz ZKKYGWXPFYQCDV-SJORKVTESA-N 1 1 283.419 3.274 20 30 CGEDMO CC[C@@H]([NH2+]Cc1ccncc1C#N)c1ccc(OC)cc1 ZINC000592096989 346962092 /nfs/dbraw/zinc/96/20/92/346962092.db2.gz OCTVEKKAQGUENK-QGZVFWFLSA-N 1 1 281.359 3.203 20 30 CGEDMO COc1ccccc1C1([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000592144773 346966967 /nfs/dbraw/zinc/96/69/67/346966967.db2.gz NOEABCWQAWVCTH-UHFFFAOYSA-N 1 1 296.345 3.485 20 30 CGEDMO CC(C)C[C@]1(C)CCC[N@H+]1Cc1ccncc1C#N ZINC000592124337 346965133 /nfs/dbraw/zinc/96/51/33/346965133.db2.gz CNTHKWMTANVISP-INIZCTEOSA-N 1 1 257.381 3.354 20 30 CGEDMO CC(C)Oc1ccnc(C[N@H+](C)Cc2cccc(C#N)c2)c1 ZINC000592997247 347025051 /nfs/dbraw/zinc/02/50/51/347025051.db2.gz WPJUGOJWQABTBO-UHFFFAOYSA-N 1 1 295.386 3.372 20 30 CGEDMO CC(C)Oc1ccnc(C[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC000592997247 347025054 /nfs/dbraw/zinc/02/50/54/347025054.db2.gz WPJUGOJWQABTBO-UHFFFAOYSA-N 1 1 295.386 3.372 20 30 CGEDMO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCC(C)(C)C#N ZINC000593051329 347032946 /nfs/dbraw/zinc/03/29/46/347032946.db2.gz MWMVDAYRKLPJBA-CHWSQXEVSA-N 1 1 280.412 3.121 20 30 CGEDMO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[N@H+]1CCC(C)(C)C#N ZINC000593051329 347032949 /nfs/dbraw/zinc/03/29/49/347032949.db2.gz MWMVDAYRKLPJBA-CHWSQXEVSA-N 1 1 280.412 3.121 20 30 CGEDMO C[C@H](CCO)[N@@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000593107492 347039958 /nfs/dbraw/zinc/03/99/58/347039958.db2.gz KMNLDCDNOYINGE-OAHLLOKOSA-N 1 1 294.398 3.428 20 30 CGEDMO C[N@H+](Cc1cccc(F)c1C#N)C[C@@H]1CC=CCC1 ZINC000428348911 529995148 /nfs/dbraw/zinc/99/51/48/529995148.db2.gz QFOJQVZGOJHRAJ-CYBMUJFWSA-N 1 1 258.340 3.485 20 30 CGEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000007453482 344868572 /nfs/dbraw/zinc/86/85/72/344868572.db2.gz XOMJAHWJYDZBCV-UHFFFAOYSA-N 1 1 287.190 3.440 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000007453482 344868575 /nfs/dbraw/zinc/86/85/75/344868575.db2.gz XOMJAHWJYDZBCV-UHFFFAOYSA-N 1 1 287.190 3.440 20 30 CGEDMO C=CC[NH+](CC=C)CC(=O)N[C@@H](c1ccc(C)cc1)C1CC1 ZINC000051766991 345093458 /nfs/dbraw/zinc/09/34/58/345093458.db2.gz XSCXQLJPZALYPC-IBGZPJMESA-N 1 1 298.430 3.236 20 30 CGEDMO C[N@@H+](CCOc1cccc(C#N)c1)CCc1ccc(F)cc1 ZINC000055025917 345142178 /nfs/dbraw/zinc/14/21/78/345142178.db2.gz CQOPZWZRNNMRMT-UHFFFAOYSA-N 1 1 298.361 3.251 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCCNc1ccc(Cl)c(C#N)n1 ZINC000067347586 345319624 /nfs/dbraw/zinc/31/96/24/345319624.db2.gz KXBNNHZSOBKCQH-LBPRGKRZSA-N 1 1 292.814 3.283 20 30 CGEDMO C=CCSc1ccccc1NC(=O)C[N@H+](C)CC(C)C ZINC000065962315 345282044 /nfs/dbraw/zinc/28/20/44/345282044.db2.gz ABVYNSYTKKNOGT-UHFFFAOYSA-N 1 1 292.448 3.491 20 30 CGEDMO C[C@H]([NH2+]Cc1ccnc(C#N)c1)c1ccccc1Cl ZINC000068753856 345361533 /nfs/dbraw/zinc/36/15/33/345361533.db2.gz TVJOMBXVBPIVEV-NSHDSACASA-N 1 1 271.751 3.457 20 30 CGEDMO COC(=O)[C@H]([NH2+]CCCCC(C)(C)C#N)C1CCCCC1 ZINC000576457976 335205967 /nfs/dbraw/zinc/20/59/67/335205967.db2.gz OHEHCDQLHLWUNZ-OAHLLOKOSA-N 1 1 294.439 3.418 20 30 CGEDMO CCOCCC[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000076153427 345535844 /nfs/dbraw/zinc/53/58/44/345535844.db2.gz FZGARYRCCFDXGL-DLBZAZTESA-N 1 1 272.392 3.185 20 30 CGEDMO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)CCC(C)C)c(C#N)c1C ZINC000077211777 345560771 /nfs/dbraw/zinc/56/07/71/345560771.db2.gz QGHBGCYVRHVIGB-GFCCVEGCSA-N 1 1 291.395 3.073 20 30 CGEDMO CCC(C)(C)[N@@H+](C)CCOc1ccc(C#N)cc1OC ZINC000077313428 345568294 /nfs/dbraw/zinc/56/82/94/345568294.db2.gz KLESPOXFRSPHSQ-UHFFFAOYSA-N 1 1 276.380 3.066 20 30 CGEDMO CCC[C@H](C)[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075622804 345515412 /nfs/dbraw/zinc/51/54/12/345515412.db2.gz HDKBPAIBKSMDCZ-LBPRGKRZSA-N 1 1 284.363 3.229 20 30 CGEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)CC1(CC#N)CC1 ZINC000088259578 345758451 /nfs/dbraw/zinc/75/84/51/345758451.db2.gz RLXMPYDEGVTVHU-CQSZACIVSA-N 1 1 272.392 3.252 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)CCC)C1 ZINC000091553964 345818774 /nfs/dbraw/zinc/81/87/74/345818774.db2.gz SBQOFCCANSUFTO-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[C@H](C)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000091593658 345818826 /nfs/dbraw/zinc/81/88/26/345818826.db2.gz ORLQNKOJRPZLRZ-ARFHVFGLSA-N 1 1 250.430 3.147 20 30 CGEDMO C=CCCC[C@H](C)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000091593658 345818829 /nfs/dbraw/zinc/81/88/29/345818829.db2.gz ORLQNKOJRPZLRZ-ARFHVFGLSA-N 1 1 250.430 3.147 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000092471245 345841456 /nfs/dbraw/zinc/84/14/56/345841456.db2.gz FPSVJQAXHQORIM-OAHLLOKOSA-N 1 1 294.402 3.306 20 30 CGEDMO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1Cc1ccc(C#N)o1 ZINC000091925675 345825186 /nfs/dbraw/zinc/82/51/86/345825186.db2.gz XBFILAGUGRHRLS-OAHLLOKOSA-N 1 1 295.386 3.382 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000092471355 345841073 /nfs/dbraw/zinc/84/10/73/345841073.db2.gz XMUYVVRUVYODNU-AWEZNQCLSA-N 1 1 258.365 3.211 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H](C)C2)c1C#N ZINC000126611268 346025863 /nfs/dbraw/zinc/02/58/63/346025863.db2.gz LTANGUACBIFFDZ-AWEZNQCLSA-N 1 1 294.402 3.284 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H](C)C2)c1C#N ZINC000126611268 346025865 /nfs/dbraw/zinc/02/58/65/346025865.db2.gz LTANGUACBIFFDZ-AWEZNQCLSA-N 1 1 294.402 3.284 20 30 CGEDMO C=CCCCN(C)C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000135654004 346088423 /nfs/dbraw/zinc/08/84/23/346088423.db2.gz BWQLNRATKLHAMK-INIZCTEOSA-N 1 1 274.408 3.104 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000319366264 346487983 /nfs/dbraw/zinc/48/79/83/346487983.db2.gz HSKSBTWYGWSCHV-OTWHNJEPSA-N 1 1 298.430 3.382 20 30 CGEDMO Cc1ccc2[nH]c([C@H]3CCC[N@H+](CC4(C#N)CC4)C3)nc2c1 ZINC000334317221 346493654 /nfs/dbraw/zinc/49/36/54/346493654.db2.gz QAURKVXYXRKHST-AWEZNQCLSA-N 1 1 294.402 3.355 20 30 CGEDMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+](CC4(C#N)CC4)C3)nc2c1 ZINC000334317221 346493658 /nfs/dbraw/zinc/49/36/58/346493658.db2.gz QAURKVXYXRKHST-AWEZNQCLSA-N 1 1 294.402 3.355 20 30 CGEDMO Cc1ccc2nc([C@H]3CCC[N@H+](CC4(C#N)CC4)C3)[nH]c2c1 ZINC000334317221 346493661 /nfs/dbraw/zinc/49/36/61/346493661.db2.gz QAURKVXYXRKHST-AWEZNQCLSA-N 1 1 294.402 3.355 20 30 CGEDMO Cc1ccc2nc([C@H]3CCC[N@@H+](CC4(C#N)CC4)C3)[nH]c2c1 ZINC000334317221 346493663 /nfs/dbraw/zinc/49/36/63/346493663.db2.gz QAURKVXYXRKHST-AWEZNQCLSA-N 1 1 294.402 3.355 20 30 CGEDMO N#CC1(C[NH2+]Cc2cnc(-c3ccccc3)nc2)CCCC1 ZINC000593649973 347099308 /nfs/dbraw/zinc/09/93/08/347099308.db2.gz OWLRALPDYHTYBO-UHFFFAOYSA-N 1 1 292.386 3.317 20 30 CGEDMO CC[N@H+](CCCN[C@@H]1CC[C@@H](C#N)C1)C1CCCCC1 ZINC000593661275 347102021 /nfs/dbraw/zinc/10/20/21/347102021.db2.gz VXLZHNGMSLSZNJ-HZPDHXFCSA-N 1 1 277.456 3.313 20 30 CGEDMO CC[N@@H+](CCCN[C@@H]1CC[C@@H](C#N)C1)C1CCCCC1 ZINC000593661275 347102025 /nfs/dbraw/zinc/10/20/25/347102025.db2.gz VXLZHNGMSLSZNJ-HZPDHXFCSA-N 1 1 277.456 3.313 20 30 CGEDMO C=CCOCCC[N@H+]1CCC[C@H]1COc1ccccc1 ZINC000451310681 346620363 /nfs/dbraw/zinc/62/03/63/346620363.db2.gz FVZDEHIWICEHJC-INIZCTEOSA-N 1 1 275.392 3.123 20 30 CGEDMO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1ccc(CC#N)cc1 ZINC000403887752 346598315 /nfs/dbraw/zinc/59/83/15/346598315.db2.gz PVLUWZVMUASDDX-MRXNPFEDSA-N 1 1 272.392 3.142 20 30 CGEDMO CC(C)O[C@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000404725412 346600932 /nfs/dbraw/zinc/60/09/32/346600932.db2.gz XEGOVMBQUQQXGS-AWEZNQCLSA-N 1 1 252.402 3.206 20 30 CGEDMO C=CCC[C@@H](C)[NH2+][C@H](C(=O)OC(C)(C)C)C(C)C ZINC000543634700 346653371 /nfs/dbraw/zinc/65/33/71/346653371.db2.gz BUGGZYAJRUZQAS-OLZOCXBDSA-N 1 1 255.402 3.297 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)[C@@H]2CCN(C)C[C@H]2C)cc1 ZINC000561983379 346659706 /nfs/dbraw/zinc/65/97/06/346659706.db2.gz UWMAKAHVCLESAX-CRAIPNDOSA-N 1 1 288.435 3.023 20 30 CGEDMO C=CC[C@H](C)NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000584788306 346714931 /nfs/dbraw/zinc/71/49/31/346714931.db2.gz LDNRRVQQIWNWBZ-SMDDNHRTSA-N 1 1 280.799 3.024 20 30 CGEDMO CC[C@H](C)[N@@H+](CCO)Cc1ccc(C(C)(C)C#N)cc1 ZINC000588212137 346756953 /nfs/dbraw/zinc/75/69/53/346756953.db2.gz GUKZWXFXTAXCKC-AWEZNQCLSA-N 1 1 274.408 3.081 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000586775101 346734179 /nfs/dbraw/zinc/73/41/79/346734179.db2.gz FFQXSHQMDSUFNI-KRWDZBQOSA-N 1 1 280.375 3.317 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000586775101 346734182 /nfs/dbraw/zinc/73/41/82/346734182.db2.gz FFQXSHQMDSUFNI-KRWDZBQOSA-N 1 1 280.375 3.317 20 30 CGEDMO CC(C)C[N@@H+](C)CCCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000593714872 347106813 /nfs/dbraw/zinc/10/68/13/347106813.db2.gz FEJNWWGAWIRDRB-GOSISDBHSA-N 1 1 285.435 3.113 20 30 CGEDMO CCC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C ZINC000594023403 347139142 /nfs/dbraw/zinc/13/91/42/347139142.db2.gz CUUYXSAZKSLWQC-UHFFFAOYSA-N 1 1 293.798 3.271 20 30 CGEDMO CC(C)n1ccc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)n1 ZINC000594922016 347230181 /nfs/dbraw/zinc/23/01/81/347230181.db2.gz OAGGMSUSWLWYPW-UHFFFAOYSA-N 1 1 294.402 3.309 20 30 CGEDMO N#Cc1ccc(CN2CCC[N@@H+](CCC3CCC3)CC2)cc1 ZINC000595288484 347286773 /nfs/dbraw/zinc/28/67/73/347286773.db2.gz JUYVQOXHLBWSGM-UHFFFAOYSA-N 1 1 297.446 3.256 20 30 CGEDMO CC[N@H+](Cc1cc(OC)no1)[C@H](C)c1ccc(C#N)cc1 ZINC000595295329 347288707 /nfs/dbraw/zinc/28/87/07/347288707.db2.gz IVPRSFKPGWXOFF-GFCCVEGCSA-N 1 1 285.347 3.138 20 30 CGEDMO CC[N@@H+](Cc1cc(OC)no1)[C@H](C)c1ccc(C#N)cc1 ZINC000595295329 347288709 /nfs/dbraw/zinc/28/87/09/347288709.db2.gz IVPRSFKPGWXOFF-GFCCVEGCSA-N 1 1 285.347 3.138 20 30 CGEDMO N#Cc1ccc(CCN2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000595330118 347293358 /nfs/dbraw/zinc/29/33/58/347293358.db2.gz ZFWUXOVXMXIUDD-LJQANCHMSA-N 1 1 297.446 3.051 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCO[C@H](c3cccs3)C2)cc1 ZINC000595346167 347294550 /nfs/dbraw/zinc/29/45/50/347294550.db2.gz GEHQXPWUDSCPQF-INIZCTEOSA-N 1 1 298.411 3.236 20 30 CGEDMO C[C@H](N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(C#N)cc1 ZINC000595056855 347272389 /nfs/dbraw/zinc/27/23/89/347272389.db2.gz RNSZJTRJSJCTSO-XJKSGUPXSA-N 1 1 271.408 3.082 20 30 CGEDMO C[C@H](N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(C#N)cc1 ZINC000595056855 347272390 /nfs/dbraw/zinc/27/23/90/347272390.db2.gz RNSZJTRJSJCTSO-XJKSGUPXSA-N 1 1 271.408 3.082 20 30 CGEDMO CC[C@@H](CSC)[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595420337 347300813 /nfs/dbraw/zinc/30/08/13/347300813.db2.gz HFSBHDHBIAWCJO-HNNXBMFYSA-N 1 1 262.422 3.174 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000595621408 347328358 /nfs/dbraw/zinc/32/83/58/347328358.db2.gz ULXCZKUNBCTLCJ-GFCCVEGCSA-N 1 1 296.773 3.484 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000595621408 347328363 /nfs/dbraw/zinc/32/83/63/347328363.db2.gz ULXCZKUNBCTLCJ-GFCCVEGCSA-N 1 1 296.773 3.484 20 30 CGEDMO C=CC[N@@H+]1Cc2ccccc2[C@@H](C(=O)OC(C)(C)C)C1 ZINC000595616639 347328774 /nfs/dbraw/zinc/32/87/74/347328774.db2.gz NNTMMMGVQPGJKQ-HNNXBMFYSA-N 1 1 273.376 3.114 20 30 CGEDMO C=CC[N@H+]1Cc2ccccc2[C@@H](C(=O)OC(C)(C)C)C1 ZINC000595616639 347328777 /nfs/dbraw/zinc/32/87/77/347328777.db2.gz NNTMMMGVQPGJKQ-HNNXBMFYSA-N 1 1 273.376 3.114 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](CCc2cccc(F)c2F)C1 ZINC000595619541 347328819 /nfs/dbraw/zinc/32/88/19/347328819.db2.gz CSWMYBNULYFQJH-LBPRGKRZSA-N 1 1 264.319 3.133 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000595658728 347334140 /nfs/dbraw/zinc/33/41/40/347334140.db2.gz INLSDGDTUCATIS-ZDUSSCGKSA-N 1 1 260.337 3.383 20 30 CGEDMO C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)[C@@H]1CCO ZINC000595699875 347341293 /nfs/dbraw/zinc/34/12/93/347341293.db2.gz OXOKAYKZKAEDBO-BLLLJJGKSA-N 1 1 292.810 3.195 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)[C@@H]1CCO ZINC000595699875 347341294 /nfs/dbraw/zinc/34/12/94/347341294.db2.gz OXOKAYKZKAEDBO-BLLLJJGKSA-N 1 1 292.810 3.195 20 30 CGEDMO CCC[C@@]1(COC)CCC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595462198 347306569 /nfs/dbraw/zinc/30/65/69/347306569.db2.gz TZYGCDLJDZEWGO-SFHVURJKSA-N 1 1 286.419 3.382 20 30 CGEDMO Cn1nccc1[C@H]1CCCC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595476828 347309292 /nfs/dbraw/zinc/30/92/92/347309292.db2.gz SUVAJMLRYZJZTJ-GOSISDBHSA-N 1 1 294.402 3.061 20 30 CGEDMO C[C@@]12CC[N@@H+](CCc3ccc(C#N)cc3)C[C@@H]1C2(F)F ZINC000595499465 347312015 /nfs/dbraw/zinc/31/20/15/347312015.db2.gz NVLMKWDLHCPIPS-LSDHHAIUSA-N 1 1 276.330 3.078 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000595503351 347312303 /nfs/dbraw/zinc/31/23/03/347312303.db2.gz SNFZNPWJMPYBJQ-CQSZACIVSA-N 1 1 257.381 3.201 20 30 CGEDMO N#Cc1ccc(CC[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000595511002 347313529 /nfs/dbraw/zinc/31/35/29/347313529.db2.gz OBXFJJIQMYZUMV-IPMKNSEASA-N 1 1 298.430 3.116 20 30 CGEDMO CC(C)Oc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000595839986 347365739 /nfs/dbraw/zinc/36/57/39/347365739.db2.gz NGVLFUUAWYXFRZ-INIZCTEOSA-N 1 1 258.365 3.209 20 30 CGEDMO CC(C)Oc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000595839986 347365742 /nfs/dbraw/zinc/36/57/42/347365742.db2.gz NGVLFUUAWYXFRZ-INIZCTEOSA-N 1 1 258.365 3.209 20 30 CGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1[C@@H]2CC[C@H]1CC(C)C2 ZINC000595856880 347368338 /nfs/dbraw/zinc/36/83/38/347368338.db2.gz GRMRQFSHZDQQDA-VMIYWNJYSA-N 1 1 297.402 3.148 20 30 CGEDMO COc1ccc(C[N@@H+](C)C[C@@H]2CC2(C)C)cc1C#N ZINC000595910142 347371813 /nfs/dbraw/zinc/37/18/13/347371813.db2.gz QUXGUPYKCYZISA-AWEZNQCLSA-N 1 1 258.365 3.045 20 30 CGEDMO CC1(C)C[N@H+]([C@@H]2CC[C@@H](C#N)C2)[C@@H]1c1cccnc1 ZINC000596589676 347483587 /nfs/dbraw/zinc/48/35/87/347483587.db2.gz BOSGHXUGRHOAHQ-BPLDGKMQSA-N 1 1 255.365 3.157 20 30 CGEDMO CC1(C)Cc2n[nH]cc2C[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000596597503 347485977 /nfs/dbraw/zinc/48/59/77/347485977.db2.gz USQXBTXKLGNTJY-UHFFFAOYSA-N 1 1 298.365 3.005 20 30 CGEDMO CC1(C)Cc2n[nH]cc2C[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000596597503 347485981 /nfs/dbraw/zinc/48/59/81/347485981.db2.gz USQXBTXKLGNTJY-UHFFFAOYSA-N 1 1 298.365 3.005 20 30 CGEDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597012635 347527692 /nfs/dbraw/zinc/52/76/92/347527692.db2.gz XNJVYPNLYSHAFU-ZIAGYGMSSA-N 1 1 254.377 3.472 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@H]4COCC[C@H]43)cc2)CC1 ZINC000597025740 347528351 /nfs/dbraw/zinc/52/83/51/347528351.db2.gz CFYPEBSCFUBUJJ-FUHWJXTLSA-N 1 1 296.414 3.243 20 30 CGEDMO CC(C)(C)[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000597114777 347536381 /nfs/dbraw/zinc/53/63/81/347536381.db2.gz ABZHSXHUYMIGBP-KRWDZBQOSA-N 1 1 298.430 3.489 20 30 CGEDMO CC[N@@H+](CCSC)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597157347 347541655 /nfs/dbraw/zinc/54/16/55/347541655.db2.gz GKNLYOQPIKUMFQ-UHFFFAOYSA-N 1 1 274.433 3.427 20 30 CGEDMO C[C@@H]1C[N@@H+](CC(C)(C)CCC#N)C[C@@](C)(C(F)F)O1 ZINC000597253914 347563064 /nfs/dbraw/zinc/56/30/64/347563064.db2.gz APTOLYLXCWJEQW-RISCZKNCSA-N 1 1 274.355 3.061 20 30 CGEDMO N#CCC1C[NH+](Cc2ccc(-c3ccc(F)cc3)o2)C1 ZINC000597191817 347547796 /nfs/dbraw/zinc/54/77/96/347547796.db2.gz HQPGFWXHEQTOBN-UHFFFAOYSA-N 1 1 270.307 3.431 20 30 CGEDMO C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000599071797 347713915 /nfs/dbraw/zinc/71/39/15/347713915.db2.gz TXKJMLASHPEZPS-LPHOPBHVSA-N 1 1 297.446 3.257 20 30 CGEDMO C[N@@H+]1CCCC[C@@H](CN[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000599071797 347713916 /nfs/dbraw/zinc/71/39/16/347713916.db2.gz TXKJMLASHPEZPS-LPHOPBHVSA-N 1 1 297.446 3.257 20 30 CGEDMO C[N@H+]1CCCC[C@@H](CN[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000599071797 347713919 /nfs/dbraw/zinc/71/39/19/347713919.db2.gz TXKJMLASHPEZPS-LPHOPBHVSA-N 1 1 297.446 3.257 20 30 CGEDMO CCC[N@H+](Cc1ccc(F)cc1)C[C@@H](O)CC(C)(C)C#N ZINC000598586297 347666881 /nfs/dbraw/zinc/66/68/81/347666881.db2.gz DYSFLRMQLWCUMH-INIZCTEOSA-N 1 1 292.398 3.338 20 30 CGEDMO CC[C@H](C)[C@H](C)[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1CC1 ZINC000598589307 347667755 /nfs/dbraw/zinc/66/77/55/347667755.db2.gz HXHQPLDYOIXXOQ-YDHLFZDLSA-N 1 1 266.429 3.186 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000598592797 347668491 /nfs/dbraw/zinc/66/84/91/347668491.db2.gz NGZGCFBVWOUUCL-GJZGRUSLSA-N 1 1 290.407 3.497 20 30 CGEDMO CC[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@H]1CCCC[C@@H]1C ZINC000598608394 347670553 /nfs/dbraw/zinc/67/05/53/347670553.db2.gz RCZUYDZQDHZMIV-ZNMIVQPWSA-N 1 1 266.429 3.188 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000598618362 347671364 /nfs/dbraw/zinc/67/13/64/347671364.db2.gz WTENBPWGWUSXRK-GXTWGEPZSA-N 1 1 292.448 3.432 20 30 CGEDMO CSc1ccccc1C[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598612273 347671517 /nfs/dbraw/zinc/67/15/17/347671517.db2.gz UPBIADQAQDKMOA-CQSZACIVSA-N 1 1 292.448 3.141 20 30 CGEDMO Cc1nc(CC[N@H+]2CCc3c(CC#N)cccc3C2)cs1 ZINC000599677545 347763961 /nfs/dbraw/zinc/76/39/61/347763961.db2.gz LJQAPFDWBUFAHK-UHFFFAOYSA-N 1 1 297.427 3.118 20 30 CGEDMO CCc1nc(C)c(C[N@@H+]2CCc3c(CC#N)cccc3C2)o1 ZINC000599679074 347765137 /nfs/dbraw/zinc/76/51/37/347765137.db2.gz VQKRIJZLRSNVPH-UHFFFAOYSA-N 1 1 295.386 3.170 20 30 CGEDMO CCc1nc(C)c(C[N@H+]2CCc3c(CC#N)cccc3C2)o1 ZINC000599679074 347765139 /nfs/dbraw/zinc/76/51/39/347765139.db2.gz VQKRIJZLRSNVPH-UHFFFAOYSA-N 1 1 295.386 3.170 20 30 CGEDMO CC(C)=CCC[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678936 347765180 /nfs/dbraw/zinc/76/51/80/347765180.db2.gz UAKWZUFCHWGTPQ-UHFFFAOYSA-N 1 1 254.377 3.467 20 30 CGEDMO Cc1nsc(C)c1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677791 347765279 /nfs/dbraw/zinc/76/52/79/347765279.db2.gz LLDKTDJWCJZFHZ-UHFFFAOYSA-N 1 1 297.427 3.384 20 30 CGEDMO Cc1nsc(C)c1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677791 347765283 /nfs/dbraw/zinc/76/52/83/347765283.db2.gz LLDKTDJWCJZFHZ-UHFFFAOYSA-N 1 1 297.427 3.384 20 30 CGEDMO C[C@@H](c1ccncc1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678044 347765448 /nfs/dbraw/zinc/76/54/48/347765448.db2.gz FXAOTSVJLISHCA-AWEZNQCLSA-N 1 1 277.371 3.267 20 30 CGEDMO Cc1ccc(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1C#N ZINC000599303352 347733440 /nfs/dbraw/zinc/73/34/40/347733440.db2.gz BKAIBVRUFXQJGQ-GOSISDBHSA-N 1 1 297.446 3.030 20 30 CGEDMO Cc1ccc(C[N@@H+](Cc2ccccn2)C2CC2)cc1C#N ZINC000599345182 347737573 /nfs/dbraw/zinc/73/75/73/347737573.db2.gz NKUJFCCMWJCNFL-UHFFFAOYSA-N 1 1 277.371 3.426 20 30 CGEDMO CCO[C@@H](C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1)C1CC1 ZINC000599342743 347737778 /nfs/dbraw/zinc/73/77/78/347737778.db2.gz UPGUBABFXIRYDO-IBGZPJMESA-N 1 1 296.414 3.462 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCCCC[C@@H]2C[C@H](C)O)cc1C#N ZINC000599416701 347743224 /nfs/dbraw/zinc/74/32/24/347743224.db2.gz WUQWBXFXZCUARI-MAUKXSAKSA-N 1 1 286.419 3.382 20 30 CGEDMO Cc1ccc(C[N@@H+](C)Cc2ccc(C)c(C#N)c2)nc1 ZINC000599431231 347743928 /nfs/dbraw/zinc/74/39/28/347743928.db2.gz ARJQKBUYJFVOGF-UHFFFAOYSA-N 1 1 265.360 3.202 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)C[C@@]1(C)CCCS1 ZINC000600109275 347780524 /nfs/dbraw/zinc/78/05/24/347780524.db2.gz INDSLOFHICPTRJ-OAHLLOKOSA-N 1 1 260.406 3.276 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000599525934 347750702 /nfs/dbraw/zinc/75/07/02/347750702.db2.gz BYYDCESTHFRJLY-OAHLLOKOSA-N 1 1 270.376 3.225 20 30 CGEDMO CC1(C)CCC(C)(C)[N@H+](Cc2nc(C#N)cs2)C1 ZINC000599538052 347752561 /nfs/dbraw/zinc/75/25/61/347752561.db2.gz IYVIEVJDNUNPHB-UHFFFAOYSA-N 1 1 263.410 3.415 20 30 CGEDMO CC1(C)CCC(C)(C)[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000599538052 347752566 /nfs/dbraw/zinc/75/25/66/347752566.db2.gz IYVIEVJDNUNPHB-UHFFFAOYSA-N 1 1 263.410 3.415 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599586828 347756338 /nfs/dbraw/zinc/75/63/38/347756338.db2.gz JHMZZUSFIKKVMD-KGLIPLIRSA-N 1 1 267.413 3.252 20 30 CGEDMO N#CCc1cccc2c1CC[N@H+](Cc1ccc(O)cc1)C2 ZINC000600213697 347794117 /nfs/dbraw/zinc/79/41/17/347794117.db2.gz XWCBGDUAKLJNBK-UHFFFAOYSA-N 1 1 278.355 3.017 20 30 CGEDMO N#CC[C@H]1CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601191391 347878962 /nfs/dbraw/zinc/87/89/62/347878962.db2.gz LXHDVLABFOUPOD-GFCCVEGCSA-N 1 1 296.330 3.273 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000602439660 347957935 /nfs/dbraw/zinc/95/79/35/347957935.db2.gz PLXKZVPVUSLPCA-GFCCVEGCSA-N 1 1 293.798 3.150 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000602436987 347958302 /nfs/dbraw/zinc/95/83/02/347958302.db2.gz BWUGBYFKBPSDRA-SJLPKXTDSA-N 1 1 285.435 3.133 20 30 CGEDMO CC[C@H](C)[C@H](C[N@@H+](C)Cc1cccc(C#N)c1)OC ZINC000602438795 347958406 /nfs/dbraw/zinc/95/84/06/347958406.db2.gz AOIBNSNKTWNXMI-BBRMVZONSA-N 1 1 260.381 3.051 20 30 CGEDMO N#Cc1ccc(C[N@H+](Cc2ccns2)C2CC2)cc1 ZINC000602441565 347959478 /nfs/dbraw/zinc/95/94/78/347959478.db2.gz QFJXLPKKBOXVGR-UHFFFAOYSA-N 1 1 269.373 3.179 20 30 CGEDMO N#Cc1ccc(C[N@@H+](Cc2ccns2)C2CC2)cc1 ZINC000602441565 347959480 /nfs/dbraw/zinc/95/94/80/347959480.db2.gz QFJXLPKKBOXVGR-UHFFFAOYSA-N 1 1 269.373 3.179 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000602470997 347963982 /nfs/dbraw/zinc/96/39/82/347963982.db2.gz AUVDKJPNUVOLNZ-RDJZCZTQSA-N 1 1 299.418 3.054 20 30 CGEDMO CC[C@@H](C)[C@@H]1CCCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602475486 347964895 /nfs/dbraw/zinc/96/48/95/347964895.db2.gz BVEVMGNYRNRXDO-CJNGLKHVSA-N 1 1 257.381 3.354 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C[C@@H]1CCN(c2ccccc2)C1)C1CC1 ZINC000602481185 347966199 /nfs/dbraw/zinc/96/61/99/347966199.db2.gz ALIBOLVURVEYQR-JKSUJKDBSA-N 1 1 283.419 3.137 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000602483558 347967088 /nfs/dbraw/zinc/96/70/88/347967088.db2.gz MPSAMWGGNFVFOR-JZKQVHKSSA-N 1 1 292.448 3.357 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2cccc(C#N)n2)[C@H]1c1ccccc1 ZINC000602486581 347967847 /nfs/dbraw/zinc/96/78/47/347967847.db2.gz VBOFZYLBGUJNAB-CXAGYDPISA-N 1 1 263.344 3.146 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)n2)[C@H]1c1ccccc1 ZINC000602486581 347967850 /nfs/dbraw/zinc/96/78/50/347967850.db2.gz VBOFZYLBGUJNAB-CXAGYDPISA-N 1 1 263.344 3.146 20 30 CGEDMO C[C@H](CC1(C#N)CCOCC1)Nc1ccc2c(c1)[nH+]cn2C ZINC000602586456 347989605 /nfs/dbraw/zinc/98/96/05/347989605.db2.gz BWQOQTJNECRIIF-CYBMUJFWSA-N 1 1 298.390 3.084 20 30 CGEDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@H](C)CCC#N ZINC000602641433 347999327 /nfs/dbraw/zinc/99/93/27/347999327.db2.gz FEZXSPVCMMCOHU-NVXWUHKLSA-N 1 1 274.408 3.116 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000602656037 348002078 /nfs/dbraw/zinc/00/20/78/348002078.db2.gz RICQKLNQPNSFAJ-HNNXBMFYSA-N 1 1 289.398 3.278 20 30 CGEDMO COc1ccc2c(c1)C1(CC1)C[N@H+](C[C@@H](C)CCC#N)C2 ZINC000602665860 348004277 /nfs/dbraw/zinc/00/42/77/348004277.db2.gz DHOSFNPAZLLHMV-AWEZNQCLSA-N 1 1 284.403 3.482 20 30 CGEDMO N#CCC1(C[N@@H+](CCC(F)(F)F)CC2CC2)CC1 ZINC000602787100 348029463 /nfs/dbraw/zinc/02/94/63/348029463.db2.gz HURNSEMPNHEMEJ-UHFFFAOYSA-N 1 1 260.303 3.345 20 30 CGEDMO N#CCC1(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC000602771877 348026634 /nfs/dbraw/zinc/02/66/34/348026634.db2.gz HTTHHLCDUQJATE-AWEZNQCLSA-N 1 1 258.340 3.309 20 30 CGEDMO C[C@H]1C[N@H+](CC2(CC#N)CC2)[C@@H](c2ccccc2)CO1 ZINC000602779152 348027087 /nfs/dbraw/zinc/02/70/87/348027087.db2.gz BLSIFQMKEIVJOW-GOEBONIOSA-N 1 1 270.376 3.142 20 30 CGEDMO C[C@H]1C[N@@H+](CC2(CC#N)CC2)[C@@H](c2ccccc2)CO1 ZINC000602779152 348027089 /nfs/dbraw/zinc/02/70/89/348027089.db2.gz BLSIFQMKEIVJOW-GOEBONIOSA-N 1 1 270.376 3.142 20 30 CGEDMO CCC[N@@H+](CC1(CC#N)CC1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000602792143 348030572 /nfs/dbraw/zinc/03/05/72/348030572.db2.gz WUBDDQZRJVZJEY-HNNXBMFYSA-N 1 1 299.418 3.419 20 30 CGEDMO CCC[C@@H](C)CCC[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602849719 348036131 /nfs/dbraw/zinc/03/61/31/348036131.db2.gz MUSUSVDMSZIGCL-OAGGEKHMSA-N 1 1 265.445 3.121 20 30 CGEDMO N#CCC1(C[N@H+](Cc2ccccc2)[C@@H](CO)C2CCC2)CC1 ZINC000602851995 348036463 /nfs/dbraw/zinc/03/64/63/348036463.db2.gz MGSHSPDSDAUCNG-SFHVURJKSA-N 1 1 298.430 3.343 20 30 CGEDMO CC(C)CSCCC[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602980216 348050278 /nfs/dbraw/zinc/05/02/78/348050278.db2.gz NCEWCQVEDZDXFU-UONOGXRCSA-N 1 1 254.443 3.390 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2coc3ccccc23)o1 ZINC000339406564 215151040 /nfs/dbraw/zinc/15/10/40/215151040.db2.gz JLHQLFJPYIVXIV-UHFFFAOYSA-N 1 1 252.273 3.187 20 30 CGEDMO C=CCCCCC[N@H+](C)CC(=O)NCc1sccc1C ZINC000606902238 348206692 /nfs/dbraw/zinc/20/66/92/348206692.db2.gz CYKHOLWLQJHSRI-UHFFFAOYSA-N 1 1 294.464 3.351 20 30 CGEDMO N#Cc1c(C[N@H+]2CCC[C@H]2C2CC2)cn2ccccc12 ZINC000609133666 348337104 /nfs/dbraw/zinc/33/71/04/348337104.db2.gz QQORXRUJXGLUPH-INIZCTEOSA-N 1 1 265.360 3.185 20 30 CGEDMO CC[N@@H+](Cc1ccnc(C#N)c1)Cc1ccccc1C ZINC000610991984 348415032 /nfs/dbraw/zinc/41/50/32/348415032.db2.gz YFPJQLFSIFGPRE-UHFFFAOYSA-N 1 1 265.360 3.284 20 30 CGEDMO Cc1ccccc1[C@@H]1CC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000610992143 348415305 /nfs/dbraw/zinc/41/53/05/348415305.db2.gz DFAIURGMGQRWIM-MRXNPFEDSA-N 1 1 277.371 3.251 20 30 CGEDMO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2ccnc(C#N)c2)C1 ZINC000610993967 348416176 /nfs/dbraw/zinc/41/61/76/348416176.db2.gz OUBHEHMPSZYDHZ-GJZGRUSLSA-N 1 1 275.421 3.059 20 30 CGEDMO CC1(C)C[N@H+](Cc2ccnc(C#N)c2)Cc2ccccc21 ZINC000611153050 348425379 /nfs/dbraw/zinc/42/53/79/348425379.db2.gz BBPKJBCYXLLSHK-UHFFFAOYSA-N 1 1 277.371 3.247 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccnc(C#N)c2)Cc2ccccc21 ZINC000611153050 348425384 /nfs/dbraw/zinc/42/53/84/348425384.db2.gz BBPKJBCYXLLSHK-UHFFFAOYSA-N 1 1 277.371 3.247 20 30 CGEDMO C[NH+](C)C1(CN[C@@H]2CCCc3cc(C#N)ccc32)CCCC1 ZINC000611390295 348444631 /nfs/dbraw/zinc/44/46/31/348444631.db2.gz PJXGUWHSUSBIRC-GOSISDBHSA-N 1 1 297.446 3.400 20 30 CGEDMO CCCC[N@H+](C)CCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000611392777 348445068 /nfs/dbraw/zinc/44/50/68/348445068.db2.gz LPJYOWBGZVYJAM-SFHVURJKSA-N 1 1 285.435 3.257 20 30 CGEDMO CCCC[N@@H+](C)CCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000611392777 348445071 /nfs/dbraw/zinc/44/50/71/348445071.db2.gz LPJYOWBGZVYJAM-SFHVURJKSA-N 1 1 285.435 3.257 20 30 CGEDMO CC[NH+](CC)C[C@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611392269 348445094 /nfs/dbraw/zinc/44/50/94/348445094.db2.gz PMHNSSQZUVZRLA-KBXCAEBGSA-N 1 1 285.435 3.256 20 30 CGEDMO N#CC1(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)CC1 ZINC000611430665 348451870 /nfs/dbraw/zinc/45/18/70/348451870.db2.gz XKNCLNHFZBWMOG-CYBMUJFWSA-N 1 1 281.359 3.311 20 30 CGEDMO N#CC1(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)CC1 ZINC000611430665 348451872 /nfs/dbraw/zinc/45/18/72/348451872.db2.gz XKNCLNHFZBWMOG-CYBMUJFWSA-N 1 1 281.359 3.311 20 30 CGEDMO Cc1ccnc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1C#N ZINC000273391577 192136420 /nfs/dbraw/zinc/13/64/20/192136420.db2.gz UYPOTLJVGXFWBZ-IAGOWNOFSA-N 1 1 292.386 3.119 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000612174582 348499990 /nfs/dbraw/zinc/49/99/90/348499990.db2.gz JIPIAACUMUDRLO-OAHLLOKOSA-N 1 1 276.355 3.219 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000612406095 348516676 /nfs/dbraw/zinc/51/66/76/348516676.db2.gz ICQQDSYKWOKXAK-BRWVUGGUSA-N 1 1 254.377 3.416 20 30 CGEDMO CC[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000614159638 348653277 /nfs/dbraw/zinc/65/32/77/348653277.db2.gz JUVYBOXGESSOFY-MRXNPFEDSA-N 1 1 272.392 3.099 20 30 CGEDMO CC[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000614159638 348653281 /nfs/dbraw/zinc/65/32/81/348653281.db2.gz JUVYBOXGESSOFY-MRXNPFEDSA-N 1 1 272.392 3.099 20 30 CGEDMO CC[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)C[C@@H](C)C#N ZINC000614163188 348653634 /nfs/dbraw/zinc/65/36/34/348653634.db2.gz VFSHABGGVAHKOP-AWEZNQCLSA-N 1 1 269.392 3.469 20 30 CGEDMO CC[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C[C@@H](C)C#N ZINC000614163188 348653637 /nfs/dbraw/zinc/65/36/37/348653637.db2.gz VFSHABGGVAHKOP-AWEZNQCLSA-N 1 1 269.392 3.469 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCOCC3(CCC3)C2)cc1 ZINC000614186048 348656593 /nfs/dbraw/zinc/65/65/93/348656593.db2.gz NJXZMVMQNUPITJ-UHFFFAOYSA-N 1 1 298.430 3.490 20 30 CGEDMO C[C@H]([NH2+]Cc1cccnc1N(C)C)c1ccc(C#N)cc1F ZINC000358557910 233154624 /nfs/dbraw/zinc/15/46/24/233154624.db2.gz NYXPOZBLGKCZDA-LBPRGKRZSA-N 1 1 298.365 3.009 20 30 CGEDMO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C#N)C2)[nH]1 ZINC000618578064 349110546 /nfs/dbraw/zinc/11/05/46/349110546.db2.gz YATMURZJVFYIPF-WUHRBBMRSA-N 1 1 275.400 3.051 20 30 CGEDMO C[C@@]1(C#N)CCC[N@H+](Cc2ccc3cnccc3c2)C1 ZINC000618819509 349157338 /nfs/dbraw/zinc/15/73/38/349157338.db2.gz IGZYHFAOMVJRSR-KRWDZBQOSA-N 1 1 265.360 3.360 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](Cc2ccc3cnccc3c2)C1 ZINC000618819509 349157341 /nfs/dbraw/zinc/15/73/41/349157341.db2.gz IGZYHFAOMVJRSR-KRWDZBQOSA-N 1 1 265.360 3.360 20 30 CGEDMO Cc1ccccc1[C@]1(F)CC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000619723753 349278759 /nfs/dbraw/zinc/27/87/59/349278759.db2.gz JXORQWQWAPRLRQ-SFHVURJKSA-N 1 1 295.361 3.332 20 30 CGEDMO Cc1ccccc1[C@]1(F)CC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000619723753 349278762 /nfs/dbraw/zinc/27/87/62/349278762.db2.gz JXORQWQWAPRLRQ-SFHVURJKSA-N 1 1 295.361 3.332 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000620310953 349355575 /nfs/dbraw/zinc/35/55/75/349355575.db2.gz XEEMLHBFPYUTQH-FGTMMUONSA-N 1 1 298.430 3.389 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2nnc(C(C)C)s2)C1 ZINC000625700365 350198263 /nfs/dbraw/zinc/19/82/63/350198263.db2.gz BHIUVZUDWKWZBQ-LLVKDONJSA-N 1 1 251.399 3.060 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2nnc(C(C)C)s2)C1 ZINC000625700365 350198267 /nfs/dbraw/zinc/19/82/67/350198267.db2.gz BHIUVZUDWKWZBQ-LLVKDONJSA-N 1 1 251.399 3.060 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cnc3c(cnn3C(C)C)c2)C1 ZINC000625700774 350198964 /nfs/dbraw/zinc/19/89/64/350198964.db2.gz LSGIQWUXEQDMQF-AWEZNQCLSA-N 1 1 284.407 3.410 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cccc(NC(C)=O)c2)C1 ZINC000625702578 350199736 /nfs/dbraw/zinc/19/97/36/350199736.db2.gz ZQQBWLMEDSQBOE-CQSZACIVSA-N 1 1 258.365 3.043 20 30 CGEDMO CC#CCC[N@@H+]1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC000626126749 350266949 /nfs/dbraw/zinc/26/69/49/350266949.db2.gz WJDTYVGJJCGHCG-AWEZNQCLSA-N 1 1 261.340 3.037 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000628405778 350529887 /nfs/dbraw/zinc/52/98/87/350529887.db2.gz UEBODOORVRIWAV-CQSZACIVSA-N 1 1 267.376 3.475 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(COC)cs2)C1 ZINC000628407028 350530607 /nfs/dbraw/zinc/53/06/07/350530607.db2.gz XNPHGAUUNSBDOV-GFCCVEGCSA-N 1 1 251.395 3.293 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@H](C)CCSC ZINC000123076013 187069576 /nfs/dbraw/zinc/06/95/76/187069576.db2.gz ZOGAMRHRJFLILD-GFCCVEGCSA-N 1 1 278.421 3.140 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000122525785 187036417 /nfs/dbraw/zinc/03/64/17/187036417.db2.gz ISZSSTLBENQMHZ-STQMWFEESA-N 1 1 258.365 3.045 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccnc(OC)c1 ZINC000339868386 215373345 /nfs/dbraw/zinc/37/33/45/215373345.db2.gz XGTVEZWAOZFYHH-UHFFFAOYSA-N 1 1 295.386 3.374 20 30 CGEDMO COCC[C@H]1CCCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000364248869 234027876 /nfs/dbraw/zinc/02/78/76/234027876.db2.gz BKDXXALVWGXQTN-CYBMUJFWSA-N 1 1 278.421 3.258 20 30 CGEDMO C=CC[N@H+](Cc1coc(-c2ccccc2)n1)C1CC1 ZINC000271525088 191192449 /nfs/dbraw/zinc/19/24/49/191192449.db2.gz WIUJUMAHQSEQJY-UHFFFAOYSA-N 1 1 254.333 3.492 20 30 CGEDMO C=CC[N@@H+](Cc1coc(-c2ccccc2)n1)C1CC1 ZINC000271525088 191192452 /nfs/dbraw/zinc/19/24/52/191192452.db2.gz WIUJUMAHQSEQJY-UHFFFAOYSA-N 1 1 254.333 3.492 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000292372041 198262717 /nfs/dbraw/zinc/26/27/17/198262717.db2.gz RARPRZGAOGZDKS-HOTGVXAUSA-N 1 1 297.446 3.425 20 30 CGEDMO CC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000292397118 198272433 /nfs/dbraw/zinc/27/24/33/198272433.db2.gz KWHHAONISFBSFG-GWCFXTLKSA-N 1 1 291.782 3.023 20 30 CGEDMO CC[C@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000292397118 198272434 /nfs/dbraw/zinc/27/24/34/198272434.db2.gz KWHHAONISFBSFG-GWCFXTLKSA-N 1 1 291.782 3.023 20 30 CGEDMO C[C@H]1C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000156638792 188273967 /nfs/dbraw/zinc/27/39/67/188273967.db2.gz CHWCQJHDWLYOHT-JVPBZIDWSA-N 1 1 292.382 3.285 20 30 CGEDMO COc1ccc(CCC[N@@H+](C)CCC(C)(C)C#N)cc1 ZINC000157764788 188337928 /nfs/dbraw/zinc/33/79/28/188337928.db2.gz KLPXPZIHWGVWNM-UHFFFAOYSA-N 1 1 274.408 3.499 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)n1 ZINC000336401543 213258380 /nfs/dbraw/zinc/25/83/80/213258380.db2.gz KNBFAFCXJXWGIE-YPMHNXCESA-N 1 1 261.394 3.169 20 30 CGEDMO N#CC1(CC[N@H+]2CCO[C@]3(CCSC3)C2)CCCCC1 ZINC000335395457 283045696 /nfs/dbraw/zinc/04/56/96/283045696.db2.gz OMSNWEHMFCNTSD-MRXNPFEDSA-N 1 1 294.464 3.058 20 30 CGEDMO C[C@H]1CC[C@H](C)[N@@H+](CCOc2ccccc2C#N)C1 ZINC000088704530 138342843 /nfs/dbraw/zinc/34/28/43/138342843.db2.gz XBVVMQWAFTYMEB-KBPBESRZSA-N 1 1 258.365 3.057 20 30 CGEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000108864250 138360900 /nfs/dbraw/zinc/36/09/00/138360900.db2.gz RAPOQKRCDHWGTD-TXEJJXNPSA-N 1 1 291.420 3.211 20 30 CGEDMO N#Cc1cc(Cl)ccc1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000112750241 138364962 /nfs/dbraw/zinc/36/49/62/138364962.db2.gz ZRUVQBCHGIGTFJ-UONOGXRCSA-N 1 1 275.783 3.250 20 30 CGEDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000126135747 138385315 /nfs/dbraw/zinc/38/53/15/138385315.db2.gz HPRHEKDAVWHQMC-CYBMUJFWSA-N 1 1 298.361 3.466 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@@H]2C[C@]2(F)c2ccccc2)s1 ZINC000424205169 236133604 /nfs/dbraw/zinc/13/36/04/236133604.db2.gz WGZUMMDHYDJNNB-CABCVRRESA-N 1 1 272.348 3.347 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@@H]2C[C@@]2(F)c2ccccc2)s1 ZINC000424205172 236133818 /nfs/dbraw/zinc/13/38/18/236133818.db2.gz WGZUMMDHYDJNNB-HUUCEWRRSA-N 1 1 272.348 3.347 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000425530424 236257785 /nfs/dbraw/zinc/25/77/85/236257785.db2.gz FLZDGMBQFDGRSW-PBHICJAKSA-N 1 1 271.408 3.035 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000425530424 236257786 /nfs/dbraw/zinc/25/77/86/236257786.db2.gz FLZDGMBQFDGRSW-PBHICJAKSA-N 1 1 271.408 3.035 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1CCSC1 ZINC000425366302 236238297 /nfs/dbraw/zinc/23/82/97/236238297.db2.gz PEJSAWSYVSKIGW-TZMCWYRMSA-N 1 1 260.406 3.304 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000428247284 236385615 /nfs/dbraw/zinc/38/56/15/236385615.db2.gz TZTPAKPCODDWNZ-WBMJQRKESA-N 1 1 258.340 3.462 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000178066300 189088358 /nfs/dbraw/zinc/08/83/58/189088358.db2.gz DXBCEDQAUNLGEK-WMLDXEAASA-N 1 1 272.392 3.268 20 30 CGEDMO Cc1ccc(C#N)c(NCC(C)(C)[N@H+]2CCC[C@H](C)C2)n1 ZINC000342110786 216220824 /nfs/dbraw/zinc/22/08/24/216220824.db2.gz ITFZPHKANWSNMU-ZDUSSCGKSA-N 1 1 286.423 3.184 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)CC2CC(O)C2)cc1Cl ZINC000191165507 542258141 /nfs/dbraw/zinc/25/81/41/542258141.db2.gz FBELACQFKBFPRZ-UHFFFAOYSA-N 1 1 295.810 3.108 20 30 CGEDMO N#Cc1ccc(C[N@H+](Cc2ccc(CO)cc2)C2CC2)cc1 ZINC000182698244 189332297 /nfs/dbraw/zinc/33/22/97/189332297.db2.gz XEJLEYQDVRVYEJ-UHFFFAOYSA-N 1 1 292.382 3.215 20 30 CGEDMO CC(C)[N@@H+](CCCn1ccnc1)Cc1ccc(C#N)cc1 ZINC000182709469 189332315 /nfs/dbraw/zinc/33/23/15/189332315.db2.gz DNPRVINKMKMFNN-UHFFFAOYSA-N 1 1 282.391 3.055 20 30 CGEDMO C=CCCC[N@H+](C)Cc1nnc(-c2cc(C)oc2C)o1 ZINC000120574189 370782209 /nfs/dbraw/zinc/78/22/09/370782209.db2.gz UJDXLPIDAJNTKK-UHFFFAOYSA-N 1 1 275.352 3.344 20 30 CGEDMO CO[C@H]1C[C@H]([N@@H+](C)Cc2cccc(C#N)c2F)C12CCC2 ZINC000451856656 240370548 /nfs/dbraw/zinc/37/05/48/240370548.db2.gz SWDFWWDEAVOHNQ-GJZGRUSLSA-N 1 1 288.366 3.087 20 30 CGEDMO CO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(F)cc2C#N)C12CCC2 ZINC000451849981 240370620 /nfs/dbraw/zinc/37/06/20/240370620.db2.gz LEVSPWGEFZMTGJ-CVEARBPZSA-N 1 1 288.366 3.087 20 30 CGEDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)cc2C#N)C12CCC2 ZINC000451849981 240370624 /nfs/dbraw/zinc/37/06/24/240370624.db2.gz LEVSPWGEFZMTGJ-CVEARBPZSA-N 1 1 288.366 3.087 20 30 CGEDMO C=CC[N@@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000121190563 370838355 /nfs/dbraw/zinc/83/83/55/370838355.db2.gz ZAZQKKDJSCTBCK-LLVKDONJSA-N 1 1 266.772 3.093 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000121190563 370838362 /nfs/dbraw/zinc/83/83/62/370838362.db2.gz ZAZQKKDJSCTBCK-LLVKDONJSA-N 1 1 266.772 3.093 20 30 CGEDMO C=CC[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000121494100 370866133 /nfs/dbraw/zinc/86/61/33/370866133.db2.gz ZZALPHAWNZBSKJ-UHFFFAOYSA-N 1 1 253.267 3.175 20 30 CGEDMO Cc1ccccc1N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000006268387 368566059 /nfs/dbraw/zinc/56/60/59/368566059.db2.gz KMHAVDHOJLXDLT-UHFFFAOYSA-N 1 1 291.398 3.189 20 30 CGEDMO C[C@@H](c1cccs1)[N@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000027554335 368873069 /nfs/dbraw/zinc/87/30/69/368873069.db2.gz XPVSEKWUSYSGCX-LBPRGKRZSA-N 1 1 299.399 3.251 20 30 CGEDMO C[C@@H](c1cccs1)[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000027554335 368873074 /nfs/dbraw/zinc/87/30/74/368873074.db2.gz XPVSEKWUSYSGCX-LBPRGKRZSA-N 1 1 299.399 3.251 20 30 CGEDMO Cc1cc(C)c(C#N)c(NCCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC000035121584 368997607 /nfs/dbraw/zinc/99/76/07/368997607.db2.gz KSQOVVNREDPRDH-HNNXBMFYSA-N 1 1 286.423 3.247 20 30 CGEDMO C#CCOc1ccccc1C[NH2+][C@@H](C)c1ccco1 ZINC000035137081 369000190 /nfs/dbraw/zinc/00/01/90/369000190.db2.gz QSAZOHOBNSWHHS-ZDUSSCGKSA-N 1 1 255.317 3.142 20 30 CGEDMO CCCN1CCC([NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC000037236963 369079134 /nfs/dbraw/zinc/07/91/34/369079134.db2.gz RCUDEBWCTJLWIG-AWEZNQCLSA-N 1 1 271.408 3.083 20 30 CGEDMO C[C@@H]([NH2+]CCC#N)c1ccc(F)c(Br)c1 ZINC000037240318 369079277 /nfs/dbraw/zinc/07/92/77/369079277.db2.gz PFQKPJBZKRJZIV-MRVPVSSYSA-N 1 1 271.133 3.152 20 30 CGEDMO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000537697965 376195525 /nfs/dbraw/zinc/19/55/25/376195525.db2.gz QZVJDLQVPOBQNV-SJCJKPOMSA-N 1 1 298.411 3.444 20 30 CGEDMO CC[N@@H+](Cc1ccc2ncccc2c1)C[C@H](C)C#N ZINC000042449667 369221066 /nfs/dbraw/zinc/22/10/66/369221066.db2.gz DDWPJEQFYVILAK-CYBMUJFWSA-N 1 1 253.349 3.216 20 30 CGEDMO CC[N@H+](Cc1ccc2ncccc2c1)C[C@H](C)C#N ZINC000042449667 369221073 /nfs/dbraw/zinc/22/10/73/369221073.db2.gz DDWPJEQFYVILAK-CYBMUJFWSA-N 1 1 253.349 3.216 20 30 CGEDMO CC(C)[N@H+]1CCCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000276078909 193207221 /nfs/dbraw/zinc/20/72/21/193207221.db2.gz HTCJAHCRVHSECM-OAHLLOKOSA-N 1 1 271.408 3.035 20 30 CGEDMO C=CCOc1ccc(CN[C@H](C)C[NH+](CC)CC)cc1 ZINC000045691655 369285315 /nfs/dbraw/zinc/28/53/15/369285315.db2.gz MMEOLXQKQFXHIA-OAHLLOKOSA-N 1 1 276.424 3.071 20 30 CGEDMO C=CCC[N@H+](C)Cc1nc2ccc(Cl)cc2n1C ZINC000276119152 193218694 /nfs/dbraw/zinc/21/86/94/193218694.db2.gz JJJIKQAXQHHJJT-UHFFFAOYSA-N 1 1 263.772 3.235 20 30 CGEDMO CCN(CC)c1ccc(C[N@H+](CC)CCC#N)cc1 ZINC000127676217 370956254 /nfs/dbraw/zinc/95/62/54/370956254.db2.gz BPSYHIWKUBPFKI-UHFFFAOYSA-N 1 1 259.397 3.268 20 30 CGEDMO CCN(CC)c1ccc(C[N@@H+](CC)CCC#N)cc1 ZINC000127676217 370956256 /nfs/dbraw/zinc/95/62/56/370956256.db2.gz BPSYHIWKUBPFKI-UHFFFAOYSA-N 1 1 259.397 3.268 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000300187899 261181612 /nfs/dbraw/zinc/18/16/12/261181612.db2.gz LKJZEPHMMSFKAE-OAGGEKHMSA-N 1 1 278.440 3.332 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000276370705 193303882 /nfs/dbraw/zinc/30/38/82/193303882.db2.gz GYOGDJBHJXGYOM-LBPRGKRZSA-N 1 1 287.363 3.314 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)Cc1ccoc1C(=O)OC ZINC000065959647 369687220 /nfs/dbraw/zinc/68/72/20/369687220.db2.gz LHOBIZRGXULARM-UHFFFAOYSA-N 1 1 299.370 3.297 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccoc1C(=O)OC ZINC000065959647 369687221 /nfs/dbraw/zinc/68/72/21/369687221.db2.gz LHOBIZRGXULARM-UHFFFAOYSA-N 1 1 299.370 3.297 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1C=CCCC1 ZINC000066496996 369695992 /nfs/dbraw/zinc/69/59/92/369695992.db2.gz GRDDTFAQDLINPK-QGZVFWFLSA-N 1 1 270.376 3.115 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000068265612 369741023 /nfs/dbraw/zinc/74/10/23/369741023.db2.gz MBEYVAKDYCUAFZ-MRXNPFEDSA-N 1 1 274.408 3.104 20 30 CGEDMO C=CCOc1ccccc1CNCC[N@H+](C)C1CCCC1 ZINC000071376917 369808446 /nfs/dbraw/zinc/80/84/46/369808446.db2.gz IPGYSBSXOHCXHE-UHFFFAOYSA-N 1 1 288.435 3.215 20 30 CGEDMO CC[C@@H]1C[N@H+]([C@@H](C)c2ccc(C#N)cc2)CCS1 ZINC000076071765 369929036 /nfs/dbraw/zinc/92/90/36/369929036.db2.gz ZFPDRUFZPYMVMI-SWLSCSKDSA-N 1 1 260.406 3.447 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000076109705 369931120 /nfs/dbraw/zinc/93/11/20/369931120.db2.gz SNQJYVVYFPMINW-QGZVFWFLSA-N 1 1 258.409 3.016 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000076109705 369931123 /nfs/dbraw/zinc/93/11/23/369931123.db2.gz SNQJYVVYFPMINW-QGZVFWFLSA-N 1 1 258.409 3.016 20 30 CGEDMO C=C(C)CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109705 369931126 /nfs/dbraw/zinc/93/11/26/369931126.db2.gz SNQJYVVYFPMINW-QGZVFWFLSA-N 1 1 258.409 3.016 20 30 CGEDMO C=C(C)CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109705 369931128 /nfs/dbraw/zinc/93/11/28/369931128.db2.gz SNQJYVVYFPMINW-QGZVFWFLSA-N 1 1 258.409 3.016 20 30 CGEDMO CC[C@@H](C)C[N@@H+](CC)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000093250924 370113900 /nfs/dbraw/zinc/11/39/00/370113900.db2.gz SUAMKEGKXXDUFQ-KGLIPLIRSA-N 1 1 287.407 3.253 20 30 CGEDMO C=CCc1cc(C[N@@H+]2CC[C@@H](CC)C2)cc(OC)c1O ZINC000091929534 370082355 /nfs/dbraw/zinc/08/23/55/370082355.db2.gz XVTDKSFETAKPCT-CYBMUJFWSA-N 1 1 275.392 3.361 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)CCC2CC2)cc1OC ZINC000092067155 370092677 /nfs/dbraw/zinc/09/26/77/370092677.db2.gz KQQPTGJCVCCKEI-UHFFFAOYSA-N 1 1 275.392 3.492 20 30 CGEDMO C=C(C)COc1cc(C[N@H+](C)CCCOC)ccc1OC ZINC000092537487 370098386 /nfs/dbraw/zinc/09/83/86/370098386.db2.gz RUHIMWKGSGEKPQ-UHFFFAOYSA-N 1 1 293.407 3.118 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccn(C)c1 ZINC000092505659 370098718 /nfs/dbraw/zinc/09/87/18/370098718.db2.gz SOXATWLWTIJJRC-UHFFFAOYSA-N 1 1 254.377 3.256 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)c1F ZINC000512432804 245037719 /nfs/dbraw/zinc/03/77/19/245037719.db2.gz ICOCKNSEQCQULM-QGZVFWFLSA-N 1 1 295.361 3.384 20 30 CGEDMO C[C@H](c1ccco1)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000119017682 370636408 /nfs/dbraw/zinc/63/64/08/370636408.db2.gz WAKBPJGKVHDUPQ-LLVKDONJSA-N 1 1 258.296 3.483 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)CCC2CCOCC2)cc1 ZINC000129615880 370994610 /nfs/dbraw/zinc/99/46/10/370994610.db2.gz GLLYDGBRLNAQEP-UHFFFAOYSA-N 1 1 289.419 3.500 20 30 CGEDMO COCc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000131175067 371088386 /nfs/dbraw/zinc/08/83/86/371088386.db2.gz WYVUCWRLBNWTKX-UHFFFAOYSA-N 1 1 280.371 3.337 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](CC)Cc1ccccc1 ZINC000132082720 371150478 /nfs/dbraw/zinc/15/04/78/371150478.db2.gz CSCOOPPHRNKVOP-INIZCTEOSA-N 1 1 286.419 3.098 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000132385534 371171191 /nfs/dbraw/zinc/17/11/91/371171191.db2.gz RMOISGYFLAEGTD-OAHLLOKOSA-N 1 1 261.365 3.417 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000331831368 204215824 /nfs/dbraw/zinc/21/58/24/204215824.db2.gz NYLCZPRXHFYOCM-OAHLLOKOSA-N 1 1 297.358 3.200 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000331831368 204215827 /nfs/dbraw/zinc/21/58/27/204215827.db2.gz NYLCZPRXHFYOCM-OAHLLOKOSA-N 1 1 297.358 3.200 20 30 CGEDMO N#CCCC[N@@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC000134314955 371321609 /nfs/dbraw/zinc/32/16/09/371321609.db2.gz BECICHCRYNOCAF-UHFFFAOYSA-N 1 1 272.392 3.097 20 30 CGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CCC1CC1 ZINC000135264106 371407242 /nfs/dbraw/zinc/40/72/42/371407242.db2.gz UGTFLXDGNIUZNP-OAHLLOKOSA-N 1 1 299.418 3.054 20 30 CGEDMO C[N@@H+](CCCOc1cccc(C#N)c1)CCC1CC1 ZINC000135278907 371409339 /nfs/dbraw/zinc/40/93/39/371409339.db2.gz RQRLWSOWFADZNG-UHFFFAOYSA-N 1 1 258.365 3.059 20 30 CGEDMO N#CCCC[N@@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000134845787 371369264 /nfs/dbraw/zinc/36/92/64/371369264.db2.gz QGLRSYMRZNCIBE-HNNXBMFYSA-N 1 1 274.339 3.167 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2sccc2Br)o1 ZINC000135484863 371432258 /nfs/dbraw/zinc/43/22/58/371432258.db2.gz DFDIWKBJTFWSLR-UHFFFAOYSA-N 1 1 297.177 3.265 20 30 CGEDMO CCCCCCCC[N@H+]1CCOC2(CCOCC2)C1 ZINC000135622723 371440499 /nfs/dbraw/zinc/44/04/99/371440499.db2.gz NHYNNXNVKIBHSJ-UHFFFAOYSA-N 1 1 269.429 3.228 20 30 CGEDMO CC[C@@H]([NH2+]Cc1ccc(C#N)s1)c1nccs1 ZINC000135692994 371445944 /nfs/dbraw/zinc/44/59/44/371445944.db2.gz PFLDYEVAIMBEAN-LLVKDONJSA-N 1 1 263.391 3.317 20 30 CGEDMO CC[C@H](c1ccccc1)[N@@H+](CCCCC#N)CC(=O)OC ZINC000136114555 371461853 /nfs/dbraw/zinc/46/18/53/371461853.db2.gz BVDGRTFKNBNCOV-MRXNPFEDSA-N 1 1 288.391 3.307 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)cc1 ZINC000289328431 371755143 /nfs/dbraw/zinc/75/51/43/371755143.db2.gz UPCYOMSTGMJBFO-MSOLQXFVSA-N 1 1 295.382 3.349 20 30 CGEDMO CCC[C@@H](C)[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000337323186 214006277 /nfs/dbraw/zinc/00/62/77/214006277.db2.gz RYLFZOQZEVVUQW-CZUORRHYSA-N 1 1 258.365 3.120 20 30 CGEDMO CC[N@H+](CCC#N)CCc1cccc(OC(F)(F)F)c1 ZINC000154256338 371832764 /nfs/dbraw/zinc/83/27/64/371832764.db2.gz XIYPHFUFGZRGPW-UHFFFAOYSA-N 1 1 286.297 3.363 20 30 CGEDMO CC[N@@H+](CCC#N)CCc1cccc(OC(F)(F)F)c1 ZINC000154256338 371832771 /nfs/dbraw/zinc/83/27/71/371832771.db2.gz XIYPHFUFGZRGPW-UHFFFAOYSA-N 1 1 286.297 3.363 20 30 CGEDMO C[C@@H]1C[C@@H](N(C)CC#Cc2cccc(Cl)c2)CC[N@H+]1C ZINC000154297862 371834656 /nfs/dbraw/zinc/83/46/56/371834656.db2.gz NKFJILQXFUOAIX-PBHICJAKSA-N 1 1 290.838 3.106 20 30 CGEDMO C=CC[N@H+](Cc1cccc(C#N)c1)CC1CCC(=O)CC1 ZINC000289951774 371860971 /nfs/dbraw/zinc/86/09/71/371860971.db2.gz HZGQMKIYUIARTG-UHFFFAOYSA-N 1 1 282.387 3.306 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H](C3CC3)C2)ccc1F ZINC000344084696 217041713 /nfs/dbraw/zinc/04/17/13/217041713.db2.gz GPPUJTGDJRGRFY-CQSZACIVSA-N 1 1 258.340 3.319 20 30 CGEDMO C[NH+](C)C[C@H](NCc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000290060412 371891487 /nfs/dbraw/zinc/89/14/87/371891487.db2.gz HEJCZBPWRIXBRX-SFHVURJKSA-N 1 1 297.377 3.090 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CC1CC1 ZINC000156233346 371967508 /nfs/dbraw/zinc/96/75/08/371967508.db2.gz OSDRTLWAVAHIRF-UHFFFAOYSA-N 1 1 283.293 3.279 20 30 CGEDMO C[C@H](c1cccnc1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344133847 217065421 /nfs/dbraw/zinc/06/54/21/217065421.db2.gz YNVXNTUUBXCAFG-OAHLLOKOSA-N 1 1 295.386 3.163 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000155799828 371945440 /nfs/dbraw/zinc/94/54/40/371945440.db2.gz LHVYCKNXKSOIND-KRWDZBQOSA-N 1 1 256.393 3.303 20 30 CGEDMO C=CC[N@H+](CCC(=O)OC(C)C)Cc1cccs1 ZINC000157433127 372022445 /nfs/dbraw/zinc/02/24/45/372022445.db2.gz QFIDDWBTRDTCMC-UHFFFAOYSA-N 1 1 267.394 3.078 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000424623351 372088480 /nfs/dbraw/zinc/08/84/80/372088480.db2.gz ZGZOPDNZJMRCNC-UHFFFAOYSA-N 1 1 280.456 3.312 20 30 CGEDMO N#CCC[N@@H+](Cc1cccnc1)C[C@H]1CC=CCC1 ZINC000159024872 372100563 /nfs/dbraw/zinc/10/05/63/372100563.db2.gz LMKKIBSZFONHHN-HNNXBMFYSA-N 1 1 255.365 3.154 20 30 CGEDMO N#CCC[N@H+](Cc1cccnc1)C[C@H]1CC=CCC1 ZINC000159024872 372100568 /nfs/dbraw/zinc/10/05/68/372100568.db2.gz LMKKIBSZFONHHN-HNNXBMFYSA-N 1 1 255.365 3.154 20 30 CGEDMO CC[C@@]1(CO)CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000426522123 372161694 /nfs/dbraw/zinc/16/16/94/372161694.db2.gz JEIBENSAZWPEJN-QGZVFWFLSA-N 1 1 291.822 3.176 20 30 CGEDMO CC[C@@]1(CO)CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000426522123 372161702 /nfs/dbraw/zinc/16/17/02/372161702.db2.gz JEIBENSAZWPEJN-QGZVFWFLSA-N 1 1 291.822 3.176 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cn(-c2ccncc2)nc1C ZINC000426565597 372164896 /nfs/dbraw/zinc/16/48/96/372164896.db2.gz BQTXTAPDSZXVOQ-MRXNPFEDSA-N 1 1 282.391 3.116 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cn(-c2ccncc2)nc1C ZINC000426565597 372164905 /nfs/dbraw/zinc/16/49/05/372164905.db2.gz BQTXTAPDSZXVOQ-MRXNPFEDSA-N 1 1 282.391 3.116 20 30 CGEDMO CCC[N@@H+](CCOCC1CC1)Cc1ccc(C#N)cc1 ZINC000159259143 372123107 /nfs/dbraw/zinc/12/31/07/372123107.db2.gz OPXKDSKEGHLWDT-UHFFFAOYSA-N 1 1 272.392 3.197 20 30 CGEDMO C=CCOCC[N@H+](C)[C@@H](C)c1sc(CC)nc1C ZINC000292916206 372247969 /nfs/dbraw/zinc/24/79/69/372247969.db2.gz XNZPNJRCCMTAPE-LBPRGKRZSA-N 1 1 268.426 3.209 20 30 CGEDMO C=CC[N@@H+](CCC#N)CC[C@@H](C)OCc1ccccc1 ZINC000428831321 372267865 /nfs/dbraw/zinc/26/78/65/372267865.db2.gz CZIUUEBZWYOTIF-MRXNPFEDSA-N 1 1 272.392 3.383 20 30 CGEDMO C=CC[N@H+](CCC#N)CC[C@@H](C)OCc1ccccc1 ZINC000428831321 372267867 /nfs/dbraw/zinc/26/78/67/372267867.db2.gz CZIUUEBZWYOTIF-MRXNPFEDSA-N 1 1 272.392 3.383 20 30 CGEDMO C[C@H]1C[C@H]1[N@H+]1CCN(CCCCC(C)(C)C#N)C[C@@H](C)C1 ZINC000429004310 372301561 /nfs/dbraw/zinc/30/15/61/372301561.db2.gz FFICYXZPQKIIBN-IXDOHACOSA-N 1 1 291.483 3.369 20 30 CGEDMO C[C@H]1C[C@H]1N1CC[N@H+](CCCCC(C)(C)C#N)C[C@@H](C)C1 ZINC000429004310 372301571 /nfs/dbraw/zinc/30/15/71/372301571.db2.gz FFICYXZPQKIIBN-IXDOHACOSA-N 1 1 291.483 3.369 20 30 CGEDMO C[C@H]1C[C@H]1N1CC[N@@H+](CCCCC(C)(C)C#N)C[C@@H](C)C1 ZINC000429004310 372301577 /nfs/dbraw/zinc/30/15/77/372301577.db2.gz FFICYXZPQKIIBN-IXDOHACOSA-N 1 1 291.483 3.369 20 30 CGEDMO Cc1nccn1CCC[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000161562962 372336823 /nfs/dbraw/zinc/33/68/23/372336823.db2.gz ZGHNCDYOZQHISE-UHFFFAOYSA-N 1 1 296.418 3.364 20 30 CGEDMO Cc1cc(CN2CC[N@H+](C3CCC3)C[C@H](C)C2)ccc1C#N ZINC000429383961 372357758 /nfs/dbraw/zinc/35/77/58/372357758.db2.gz LDLPVWLMQVATHK-OAHLLOKOSA-N 1 1 297.446 3.173 20 30 CGEDMO Cc1cc(CN2CC[N@H+](C3CCC3)C[C@@H](C)C2)ccc1C#N ZINC000429383957 372357959 /nfs/dbraw/zinc/35/79/59/372357959.db2.gz LDLPVWLMQVATHK-HNNXBMFYSA-N 1 1 297.446 3.173 20 30 CGEDMO C=CCC(C)(C)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000429854491 372380137 /nfs/dbraw/zinc/38/01/37/372380137.db2.gz PSZHSARHOYZUEG-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(F)c(C#N)c2)C[C@@H]1C ZINC000344388628 217177090 /nfs/dbraw/zinc/17/70/90/217177090.db2.gz BHJFONNMZZWPPY-XJKSGUPXSA-N 1 1 289.398 3.002 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1Cl)[C@@H]1CCSC1 ZINC000162865704 372429002 /nfs/dbraw/zinc/42/90/02/372429002.db2.gz FYYQUPIGACUBCD-GFCCVEGCSA-N 1 1 266.797 3.149 20 30 CGEDMO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)C1(C)C ZINC000344374202 217174428 /nfs/dbraw/zinc/17/44/28/217174428.db2.gz KWJQCFBXSMYVKM-DOTOQJQBSA-N 1 1 290.382 3.333 20 30 CGEDMO C[C@H](C1CC1)[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000164696455 372530446 /nfs/dbraw/zinc/53/04/46/372530446.db2.gz RTHBIHHUBOIQLT-CYBMUJFWSA-N 1 1 297.402 3.150 20 30 CGEDMO N#CCCC[C@H]([NH2+]Cc1ccon1)c1ccccc1 ZINC000433022713 372577471 /nfs/dbraw/zinc/57/74/71/372577471.db2.gz LPEXEDHBTMUGRY-HNNXBMFYSA-N 1 1 255.321 3.199 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000166713726 372580095 /nfs/dbraw/zinc/58/00/95/372580095.db2.gz COAYNZSHMBDPIL-MCIONIFRSA-N 1 1 272.392 3.433 20 30 CGEDMO COc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)[C@@H]2C)cc1C#N ZINC000166722408 372581183 /nfs/dbraw/zinc/58/11/83/372581183.db2.gz PPQCRXBZWANKEN-RDBSUJKOSA-N 1 1 272.392 3.433 20 30 CGEDMO C=CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)n3ccnc32)cc1 ZINC000295198960 372697468 /nfs/dbraw/zinc/69/74/68/372697468.db2.gz JYFHRIWNDFRDLC-CZUORRHYSA-N 1 1 283.375 3.244 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000295596824 372840771 /nfs/dbraw/zinc/84/07/71/372840771.db2.gz MVMIGMMMXIXARM-JKSUJKDBSA-N 1 1 286.419 3.014 20 30 CGEDMO C[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000171946210 372864577 /nfs/dbraw/zinc/86/45/77/372864577.db2.gz DFLSIPVVIJRBEV-CYBMUJFWSA-N 1 1 251.333 3.146 20 30 CGEDMO COc1ccc(Cn2c[nH+]c3c2C[C@H](C)[C@@H](C)C3)cc1C#N ZINC000295913816 372955920 /nfs/dbraw/zinc/95/59/20/372955920.db2.gz JEOBUZZJYDVKKW-STQMWFEESA-N 1 1 295.386 3.182 20 30 CGEDMO CCCCC[N@H+](CC#Cc1ccccc1Cl)CCO ZINC000441162200 372998425 /nfs/dbraw/zinc/99/84/25/372998425.db2.gz GVJZVPDULIVFLZ-UHFFFAOYSA-N 1 1 279.811 3.176 20 30 CGEDMO C[C@@H](O)C[N@@H+](CCCC#N)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441265218 373000604 /nfs/dbraw/zinc/00/06/04/373000604.db2.gz RURKWZQVRBJSPA-ZIAGYGMSSA-N 1 1 294.826 3.258 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H]1C ZINC000441441940 373012275 /nfs/dbraw/zinc/01/22/75/373012275.db2.gz CIJZTWTXJIIKCZ-CHWSQXEVSA-N 1 1 296.374 3.229 20 30 CGEDMO CS[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000296394322 373117903 /nfs/dbraw/zinc/11/79/03/373117903.db2.gz SUYPKBYJVAHCCB-AWEZNQCLSA-N 1 1 265.809 3.129 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCO[C@](C)(CC)C1 ZINC000443863294 373163564 /nfs/dbraw/zinc/16/35/64/373163564.db2.gz QRAQFOCZRJOUDK-QGZVFWFLSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCO[C@](C)(CC)C1 ZINC000443863294 373163573 /nfs/dbraw/zinc/16/35/73/373163573.db2.gz QRAQFOCZRJOUDK-QGZVFWFLSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CC[C@H]1[N@@H+](CC(=O)c2cccn2C)CCCC1(C)C ZINC000444779021 373271559 /nfs/dbraw/zinc/27/15/59/373271559.db2.gz XIBPIBBXFOQKJP-MRXNPFEDSA-N 1 1 274.408 3.275 20 30 CGEDMO C=CC[C@@H]1[N@H+](C[C@@H](O)CC(F)(F)F)CCCC1(C)C ZINC000444776246 373270033 /nfs/dbraw/zinc/27/00/33/373270033.db2.gz OXHAVLFATGAVAB-RYUDHWBXSA-N 1 1 279.346 3.366 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@@H](C)C1CCCCC1 ZINC000447393639 373433380 /nfs/dbraw/zinc/43/33/80/373433380.db2.gz DWQZNAIEAZTYGQ-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C[C@H](O)C[C@H]1CCCC[N@H+]1CC#Cc1ccccc1Cl ZINC000447836336 373506533 /nfs/dbraw/zinc/50/65/33/373506533.db2.gz WZQYRNQQXCIXOA-GOEBONIOSA-N 1 1 291.822 3.317 20 30 CGEDMO C=CCC[N@@H+]1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000448552162 373587568 /nfs/dbraw/zinc/58/75/68/373587568.db2.gz NNDQAFDAXXYPQG-MRXNPFEDSA-N 1 1 258.409 3.016 20 30 CGEDMO C=CCCN1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000448552162 373587577 /nfs/dbraw/zinc/58/75/77/373587577.db2.gz NNDQAFDAXXYPQG-MRXNPFEDSA-N 1 1 258.409 3.016 20 30 CGEDMO C=CCCN1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000448552162 373587585 /nfs/dbraw/zinc/58/75/85/373587585.db2.gz NNDQAFDAXXYPQG-MRXNPFEDSA-N 1 1 258.409 3.016 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1cc(C(=O)OCC)c(C)[nH]1 ZINC000449288077 373676137 /nfs/dbraw/zinc/67/61/37/373676137.db2.gz MHAODBDCDFCTJA-AWEZNQCLSA-N 1 1 276.380 3.040 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(C(=O)OCC)c(C)[nH]1 ZINC000449288077 373676145 /nfs/dbraw/zinc/67/61/45/373676145.db2.gz MHAODBDCDFCTJA-AWEZNQCLSA-N 1 1 276.380 3.040 20 30 CGEDMO C[C@@]12C[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000449449756 373731546 /nfs/dbraw/zinc/73/15/46/373731546.db2.gz MVPPSWFOKDYQBI-VKZRIFJHSA-N 1 1 282.362 3.341 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCNc1c(Cl)cccc1C#N ZINC000301332863 373748084 /nfs/dbraw/zinc/74/80/84/373748084.db2.gz BTUVFSMBMBJOSX-GFCCVEGCSA-N 1 1 277.799 3.498 20 30 CGEDMO C[C@@H](CNc1ccc(F)cc1C#N)[N@H+]1CCC[C@H](C)C1 ZINC000301359587 373758521 /nfs/dbraw/zinc/75/85/21/373758521.db2.gz LPMIMXACZJSZHL-STQMWFEESA-N 1 1 275.371 3.230 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCCC[C@@H]2COC)cc1 ZINC000449761534 373890373 /nfs/dbraw/zinc/89/03/73/373890373.db2.gz YLNBVHQBMNEQND-MRXNPFEDSA-N 1 1 275.392 3.252 20 30 CGEDMO CC[C@@H](C)[N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000179933841 373941530 /nfs/dbraw/zinc/94/15/30/373941530.db2.gz PVUVCZDXIRUSFG-CYBMUJFWSA-N 1 1 282.391 3.189 20 30 CGEDMO C=CC[N@H+](CC[C@@H](C)O)Cc1ccc(Cl)s1 ZINC000450216168 374002990 /nfs/dbraw/zinc/00/29/90/374002990.db2.gz PIWSVXBZMHRZRZ-SNVBAGLBSA-N 1 1 259.802 3.160 20 30 CGEDMO C[C@@H](c1ccccc1)[C@H](O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000450224908 374008249 /nfs/dbraw/zinc/00/82/49/374008249.db2.gz DQVYHGATVDVWPG-HNAYVOBHSA-N 1 1 294.398 3.155 20 30 CGEDMO CC(C)[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000303667134 374027588 /nfs/dbraw/zinc/02/75/88/374027588.db2.gz XUSMQAUPPFPLJZ-MRXNPFEDSA-N 1 1 299.418 3.255 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)C[C@H](O)[C@@H](C)c1ccccc1 ZINC000450463581 374145970 /nfs/dbraw/zinc/14/59/70/374145970.db2.gz QDZXXENXGXWDKS-WMZOPIPTSA-N 1 1 288.435 3.413 20 30 CGEDMO CCOc1cccc([C@@H](C)[NH2+]CC2(C#N)CCC2)c1 ZINC000450678725 374171148 /nfs/dbraw/zinc/17/11/48/374171148.db2.gz UDCOWTNLNJBVEW-CYBMUJFWSA-N 1 1 258.365 3.430 20 30 CGEDMO C[N@@H+](CCC(=O)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000181959407 374196820 /nfs/dbraw/zinc/19/68/20/374196820.db2.gz QNRJCXNOHCGEHX-UHFFFAOYSA-N 1 1 278.355 3.263 20 30 CGEDMO CC[N@@H+](CCCOCc1ccccc1)C[C@@H](C)C#N ZINC000182297178 374254618 /nfs/dbraw/zinc/25/46/18/374254618.db2.gz KUGHXNWIVFOFCW-HNNXBMFYSA-N 1 1 260.381 3.075 20 30 CGEDMO C[C@@H]1CCC[C@@H]([N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000314908456 374323562 /nfs/dbraw/zinc/32/35/62/374323562.db2.gz GCOHAIMWUHPMKA-RHSMWYFYSA-N 1 1 299.418 3.397 20 30 CGEDMO COc1cccc(C[N@H+](C)Cc2cc(C#N)ccc2OC)c1 ZINC000317441543 374340149 /nfs/dbraw/zinc/34/01/49/374340149.db2.gz RGNFAQRDKSZULT-UHFFFAOYSA-N 1 1 296.370 3.207 20 30 CGEDMO COc1cccc(C[N@@H+](C)Cc2cc(C#N)ccc2OC)c1 ZINC000317441543 374340154 /nfs/dbraw/zinc/34/01/54/374340154.db2.gz RGNFAQRDKSZULT-UHFFFAOYSA-N 1 1 296.370 3.207 20 30 CGEDMO C[C@@H](C[N@@H+](C)Cc1ccc(F)cc1C#N)c1nccs1 ZINC000183991173 374479587 /nfs/dbraw/zinc/47/95/87/374479587.db2.gz MCBQUYBHKUSBHA-NSHDSACASA-N 1 1 289.379 3.389 20 30 CGEDMO CC[C@@H]1C[C@@H](C)C[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000330958255 374491947 /nfs/dbraw/zinc/49/19/47/374491947.db2.gz WLIYUMROMKBLHS-UKRRQHHQSA-N 1 1 285.391 3.007 20 30 CGEDMO C[C@H](C[N@@H+](C)Cc1ccc(C#N)cc1)c1nccs1 ZINC000183945218 374476284 /nfs/dbraw/zinc/47/62/84/374476284.db2.gz BKHHLSSNCAPPSR-GFCCVEGCSA-N 1 1 271.389 3.250 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCCC[C@H]1CC(N)=O ZINC000331096166 374504707 /nfs/dbraw/zinc/50/47/07/374504707.db2.gz LUGUXWAOSMTGNW-AWEZNQCLSA-N 1 1 291.782 3.492 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCC[C@H]1CC(N)=O ZINC000331096166 374504713 /nfs/dbraw/zinc/50/47/13/374504713.db2.gz LUGUXWAOSMTGNW-AWEZNQCLSA-N 1 1 291.782 3.492 20 30 CGEDMO CC[C@H]1[C@H](C)CC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000331100077 374505227 /nfs/dbraw/zinc/50/52/27/374505227.db2.gz CRTACZZFOUOSKH-CJNGLKHVSA-N 1 1 285.391 3.007 20 30 CGEDMO CC[C@@H]1[C@H](C)CC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000185634761 374701990 /nfs/dbraw/zinc/70/19/90/374701990.db2.gz FQTIBNAEGPHRSF-DGCLKSJQSA-N 1 1 291.420 3.069 20 30 CGEDMO CCC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000185867577 374756505 /nfs/dbraw/zinc/75/65/05/374756505.db2.gz REVMRHROMAOPTO-CYBMUJFWSA-N 1 1 291.420 3.213 20 30 CGEDMO CCC[C@@H]1CCCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000185867577 374756508 /nfs/dbraw/zinc/75/65/08/374756508.db2.gz REVMRHROMAOPTO-CYBMUJFWSA-N 1 1 291.420 3.213 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000186661386 374894981 /nfs/dbraw/zinc/89/49/81/374894981.db2.gz VFMFGICYFXMECN-GFCCVEGCSA-N 1 1 290.794 3.213 20 30 CGEDMO CCOCC[N@H+](CC)Cc1ccc(Cl)cc1C#N ZINC000187006371 374955711 /nfs/dbraw/zinc/95/57/11/374955711.db2.gz ASWAZDIXGSLOSI-UHFFFAOYSA-N 1 1 266.772 3.070 20 30 CGEDMO CCOCC[N@@H+](CC)Cc1ccc(Cl)cc1C#N ZINC000187006371 374955719 /nfs/dbraw/zinc/95/57/19/374955719.db2.gz ASWAZDIXGSLOSI-UHFFFAOYSA-N 1 1 266.772 3.070 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000470772089 374999421 /nfs/dbraw/zinc/99/94/21/374999421.db2.gz JDRKAQGQZRCNQO-INIZCTEOSA-N 1 1 295.810 3.386 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@@H]1CCCOC1 ZINC000470925429 375000317 /nfs/dbraw/zinc/00/03/17/375000317.db2.gz HCBOBSIBFBAMAY-KRWDZBQOSA-N 1 1 259.393 3.491 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](C)CCCCc1ccccc1 ZINC000472770708 375033276 /nfs/dbraw/zinc/03/32/76/375033276.db2.gz KQFGJHOGPISTRV-QGZVFWFLSA-N 1 1 261.409 3.268 20 30 CGEDMO CC(C)CO[C@H]1CC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187714101 375079461 /nfs/dbraw/zinc/07/94/61/375079461.db2.gz QNKLDVSKAOBOCN-YOEHRIQHSA-N 1 1 272.392 3.366 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCCC[N@@H+]1CCCC ZINC000473175569 375045223 /nfs/dbraw/zinc/04/52/23/375045223.db2.gz PKIAMBPUEUSXMZ-RDJZCZTQSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@@H+](C)CCOc1cccc(Br)c1 ZINC000481270153 375163771 /nfs/dbraw/zinc/16/37/71/375163771.db2.gz QTZUQKYLUYBJEB-UHFFFAOYSA-N 1 1 284.197 3.336 20 30 CGEDMO CCO[C@H]1C[C@@H]([N@@H+](C)CC#Cc2ccccc2)C1(C)C ZINC000483970496 375184421 /nfs/dbraw/zinc/18/44/21/375184421.db2.gz CGRGXNTZLHQXFH-SJORKVTESA-N 1 1 271.404 3.174 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000483410756 375180103 /nfs/dbraw/zinc/18/01/03/375180103.db2.gz TUMZEFPADFRLNH-IAGOWNOFSA-N 1 1 277.383 3.116 20 30 CGEDMO CN(Cc1ccccc1C(C)(C)C#N)[C@H]1CC[N@H+](C2CC2)C1 ZINC000487380303 375235888 /nfs/dbraw/zinc/23/58/88/375235888.db2.gz RCZGSDMUYJZBLY-KRWDZBQOSA-N 1 1 297.446 3.156 20 30 CGEDMO C[N@H+](Cc1ccccc1C(C)(C)C#N)[C@H]1CCN(C2CC2)C1 ZINC000487380303 375235896 /nfs/dbraw/zinc/23/58/96/375235896.db2.gz RCZGSDMUYJZBLY-KRWDZBQOSA-N 1 1 297.446 3.156 20 30 CGEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@H]1CCN(C2CC2)C1 ZINC000487380303 375235904 /nfs/dbraw/zinc/23/59/04/375235904.db2.gz RCZGSDMUYJZBLY-KRWDZBQOSA-N 1 1 297.446 3.156 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@]3(CCOC3)C2)c(Cl)c1 ZINC000335235805 375253009 /nfs/dbraw/zinc/25/30/09/375253009.db2.gz AYBUJPOMEJVEKU-INIZCTEOSA-N 1 1 290.794 3.214 20 30 CGEDMO C[C@@]1(c2ccccc2)CC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000335182076 375206875 /nfs/dbraw/zinc/20/68/75/375206875.db2.gz VMIWCXAYSQNZHI-MRXNPFEDSA-N 1 1 283.400 3.178 20 30 CGEDMO C[C@@]1(c2ccccc2)CC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000335182076 375206881 /nfs/dbraw/zinc/20/68/81/375206881.db2.gz VMIWCXAYSQNZHI-MRXNPFEDSA-N 1 1 283.400 3.178 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000188550367 375231172 /nfs/dbraw/zinc/23/11/72/375231172.db2.gz BXUPQRBSASSKFN-JFIYKMOQSA-N 1 1 286.419 3.150 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000335418771 375277378 /nfs/dbraw/zinc/27/73/78/375277378.db2.gz VYJWUXQLSOTMRW-HNNXBMFYSA-N 1 1 281.334 3.082 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000335418771 375277380 /nfs/dbraw/zinc/27/73/80/375277380.db2.gz VYJWUXQLSOTMRW-HNNXBMFYSA-N 1 1 281.334 3.082 20 30 CGEDMO COCC[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCC[C@H]1C ZINC000487989836 375292234 /nfs/dbraw/zinc/29/22/34/375292234.db2.gz QGVSLJCYODZWBQ-RHSMWYFYSA-N 1 1 272.392 3.195 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@H](O)[C@H](C)C2)cc1Cl ZINC000190056481 375473415 /nfs/dbraw/zinc/47/34/15/375473415.db2.gz BKTLOOAMNPAERR-DOMZBBRYSA-N 1 1 295.810 3.108 20 30 CGEDMO C=CC[N@H+](Cc1ccc([N+](=O)[O-])c(OCC)c1)C1CC1 ZINC000492605159 375447667 /nfs/dbraw/zinc/44/76/67/375447667.db2.gz GRUPTRLDIDJUFO-UHFFFAOYSA-N 1 1 276.336 3.144 20 30 CGEDMO C=CC[N@@H+](C)Cc1sc(C)nc1C(F)(F)F ZINC000494644086 375489962 /nfs/dbraw/zinc/48/99/62/375489962.db2.gz YKXMFHVGOWQORY-UHFFFAOYSA-N 1 1 250.289 3.088 20 30 CGEDMO C=CC[N@H+](C)Cc1sc(C)nc1C(F)(F)F ZINC000494644086 375489965 /nfs/dbraw/zinc/48/99/65/375489965.db2.gz YKXMFHVGOWQORY-UHFFFAOYSA-N 1 1 250.289 3.088 20 30 CGEDMO N#Cc1csc(C[NH2+][C@H]2CCSc3ccccc32)n1 ZINC000335870009 375499722 /nfs/dbraw/zinc/49/97/22/375499722.db2.gz PVPPKQKVLXQKPE-LBPRGKRZSA-N 1 1 287.413 3.341 20 30 CGEDMO C[C@@H]1CSCC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000190405981 375505230 /nfs/dbraw/zinc/50/52/30/375505230.db2.gz ZRDOHZBBEZWIRA-AWEZNQCLSA-N 1 1 290.432 3.012 20 30 CGEDMO CCC(CC)c1cc(C[NH2+]Cc2cc(C#N)n(C)c2)on1 ZINC000191206819 375594242 /nfs/dbraw/zinc/59/42/42/375594242.db2.gz IGONUIPKAZWERG-UHFFFAOYSA-N 1 1 286.379 3.078 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000496628010 375547067 /nfs/dbraw/zinc/54/70/67/375547067.db2.gz UEXZDEMRHYJFMJ-KBPBESRZSA-N 1 1 282.428 3.188 20 30 CGEDMO C=CC[N@@H+](CCOC)Cc1cc(-c2ccc(C)cc2)no1 ZINC000191143787 375584265 /nfs/dbraw/zinc/58/42/65/375584265.db2.gz XYZYGXQOYZMIMU-UHFFFAOYSA-N 1 1 286.375 3.284 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cc(-c2ccc(C)cc2)no1 ZINC000191143787 375584274 /nfs/dbraw/zinc/58/42/74/375584274.db2.gz XYZYGXQOYZMIMU-UHFFFAOYSA-N 1 1 286.375 3.284 20 30 CGEDMO CC(C)C[N@@H+](Cc1cc(C#N)n(C)c1)CC(C)(C)C ZINC000191424421 375626374 /nfs/dbraw/zinc/62/63/74/375626374.db2.gz FRYGBVZFLUZYKD-UHFFFAOYSA-N 1 1 261.413 3.401 20 30 CGEDMO CCN(C)c1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)cn1 ZINC000191227319 375598760 /nfs/dbraw/zinc/59/87/60/375598760.db2.gz BBQGABFUSBFKGA-UHFFFAOYSA-N 1 1 294.402 3.041 20 30 CGEDMO C[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1Br ZINC000191801863 375664575 /nfs/dbraw/zinc/66/45/75/375664575.db2.gz BMJMEFNILNZUKJ-SNVBAGLBSA-N 1 1 279.181 3.305 20 30 CGEDMO C[N@@H+](CCOc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000191904387 375675326 /nfs/dbraw/zinc/67/53/26/375675326.db2.gz OYEUZNCXIAASPC-UHFFFAOYSA-N 1 1 284.334 3.208 20 30 CGEDMO C=CCC[C@@H](NC(=O)C[NH+]1CC(C)(C)C1)c1ccccc1 ZINC000516489712 375820770 /nfs/dbraw/zinc/82/07/70/375820770.db2.gz FGPNRWOWLLARTB-MRXNPFEDSA-N 1 1 286.419 3.152 20 30 CGEDMO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000528385854 375899878 /nfs/dbraw/zinc/89/98/78/375899878.db2.gz DRVZVYJGZJJNBU-GVDBMIGSSA-N 1 1 298.430 3.228 20 30 CGEDMO Cc1cccc(C2=CC[N@@H+](C[C@@H](O)CC3(C#N)CC3)CC2)c1 ZINC000528432772 375901582 /nfs/dbraw/zinc/90/15/82/375901582.db2.gz SAJZBXIKGQNIEN-SFHVURJKSA-N 1 1 296.414 3.139 20 30 CGEDMO CCc1ccc([C@H]2CC[N@@H+](C[C@H](O)CC3(C#N)CC3)C2)cc1 ZINC000528513055 375903565 /nfs/dbraw/zinc/90/35/65/375903565.db2.gz QOQFZSZJXRBZOJ-ZWKOTPCHSA-N 1 1 298.430 3.093 20 30 CGEDMO C=CCCCC[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000528740791 375908554 /nfs/dbraw/zinc/90/85/54/375908554.db2.gz IMUWRCOMZJJHKP-UHFFFAOYSA-N 1 1 257.381 3.068 20 30 CGEDMO COCC[N@@H+](CC#Cc1cccc(Cl)c1)CC(C)C ZINC000532605691 375952275 /nfs/dbraw/zinc/95/22/75/375952275.db2.gz APPCEUDKRNBNDK-UHFFFAOYSA-N 1 1 279.811 3.296 20 30 CGEDMO CCc1ccc(CC[N@H+](C[C@@H](C)C#N)C2CC2)cc1 ZINC000532817371 375954145 /nfs/dbraw/zinc/95/41/45/375954145.db2.gz FVEYHNHURJUNBE-AWEZNQCLSA-N 1 1 256.393 3.416 20 30 CGEDMO CCc1ccc(CC[N@@H+](C[C@@H](C)C#N)C2CC2)cc1 ZINC000532817371 375954151 /nfs/dbraw/zinc/95/41/51/375954151.db2.gz FVEYHNHURJUNBE-AWEZNQCLSA-N 1 1 256.393 3.416 20 30 CGEDMO C[C@@H](C#N)C[N@H+](Cc1ccc2cc[nH]c2c1)C1CC1 ZINC000529527743 375928068 /nfs/dbraw/zinc/92/80/68/375928068.db2.gz BVHIGYZEBVZJIW-LBPRGKRZSA-N 1 1 253.349 3.292 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](Cc1ccc2cc[nH]c2c1)C1CC1 ZINC000529527743 375928072 /nfs/dbraw/zinc/92/80/72/375928072.db2.gz BVHIGYZEBVZJIW-LBPRGKRZSA-N 1 1 253.349 3.292 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000532126485 375949507 /nfs/dbraw/zinc/94/95/07/375949507.db2.gz NUXBHTHVQBQMDM-ZDUSSCGKSA-N 1 1 253.386 3.006 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H](CSC)C1 ZINC000336833122 375995327 /nfs/dbraw/zinc/99/53/27/375995327.db2.gz NWIJVOJKHCOYSD-AWEZNQCLSA-N 1 1 290.432 3.142 20 30 CGEDMO CC(C)[N@H+](Cc1cc(C#N)cs1)Cc1ccccn1 ZINC000535082894 376023949 /nfs/dbraw/zinc/02/39/49/376023949.db2.gz IFFSOLAYPFHKOO-UHFFFAOYSA-N 1 1 271.389 3.425 20 30 CGEDMO CC(C)[N@@H+](Cc1cc(C#N)cs1)Cc1ccccn1 ZINC000535082894 376023952 /nfs/dbraw/zinc/02/39/52/376023952.db2.gz IFFSOLAYPFHKOO-UHFFFAOYSA-N 1 1 271.389 3.425 20 30 CGEDMO N#Cc1ccccc1C[NH+]1CCC(Nc2ccccn2)CC1 ZINC000535575614 376043158 /nfs/dbraw/zinc/04/31/58/376043158.db2.gz RHUWLBWTVAXCQM-UHFFFAOYSA-N 1 1 292.386 3.030 20 30 CGEDMO N#CC1(CCC[N@H+]2CCC[C@@H]3CCC[C@H]32)CCOCC1 ZINC000337184589 376121174 /nfs/dbraw/zinc/12/11/74/376121174.db2.gz NWEVXOQSCVEUJH-JKSUJKDBSA-N 1 1 276.424 3.351 20 30 CGEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](c3ccccc3)CC2)C1=O ZINC000337145612 376101124 /nfs/dbraw/zinc/10/11/24/376101124.db2.gz XMNMPLMJKQMYAL-ROUUACIJSA-N 1 1 298.430 3.043 20 30 CGEDMO N#CC1(CCC[N@H+]2CC[C@H]2Cc2ccccc2)CCOCC1 ZINC000337168024 376111124 /nfs/dbraw/zinc/11/11/24/376111124.db2.gz CUOZDNGHOMWXKV-SFHVURJKSA-N 1 1 298.430 3.404 20 30 CGEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H](c2ccccc2)C(C)C)C1=O ZINC000337171800 376113848 /nfs/dbraw/zinc/11/38/48/376113848.db2.gz GBQWFQWNAQWEJO-IAGOWNOFSA-N 1 1 286.419 3.102 20 30 CGEDMO C=CC[N@H+](C[C@@H](O)COc1ccc2ccccc2c1)C1CC1 ZINC000536742900 376128588 /nfs/dbraw/zinc/12/85/88/376128588.db2.gz DOXXOZMLOOOJEV-GOSISDBHSA-N 1 1 297.398 3.230 20 30 CGEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2c2cccc(C)c2C)C1=O ZINC000337197415 376131313 /nfs/dbraw/zinc/13/13/13/376131313.db2.gz XDLAPQAMTDZDKU-ZWKOTPCHSA-N 1 1 298.430 3.227 20 30 CGEDMO Cc1ccc2c(c1)CC[N@H+](CCCC1(C#N)CCOCC1)C2 ZINC000337207822 376137220 /nfs/dbraw/zinc/13/72/20/376137220.db2.gz PJIRBKMQPATFIY-UHFFFAOYSA-N 1 1 298.430 3.454 20 30 CGEDMO C[C@@H](C1CCC1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000337185336 376123651 /nfs/dbraw/zinc/12/36/51/376123651.db2.gz OWFCOJBVVDFSKZ-AWEZNQCLSA-N 1 1 264.413 3.207 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCCC2(C#N)CCOCC2)[C@@H]1C ZINC000337188555 376125142 /nfs/dbraw/zinc/12/51/42/376125142.db2.gz QIFVOUACXNXSSZ-HUUCEWRRSA-N 1 1 264.413 3.207 20 30 CGEDMO C=C(CC)C[N@@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000538002115 376217326 /nfs/dbraw/zinc/21/73/26/376217326.db2.gz JYCUYZAXSVCFDB-UHFFFAOYSA-N 1 1 299.317 3.415 20 30 CGEDMO Cc1cc(C)c(C#N)c(NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)n1 ZINC000221736011 376218795 /nfs/dbraw/zinc/21/87/95/376218795.db2.gz SODNIZFTNKIYFR-IUODEOHRSA-N 1 1 286.423 3.102 20 30 CGEDMO CCc1cc(OC)ccc1C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000337495750 376224015 /nfs/dbraw/zinc/22/40/15/376224015.db2.gz IJJWVXKEBDQSNC-CJNGLKHVSA-N 1 1 258.365 3.039 20 30 CGEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCc1cccc2ccccc21 ZINC000337685011 376235422 /nfs/dbraw/zinc/23/54/22/376235422.db2.gz PKZCXAIGXSLSRB-OAHLLOKOSA-N 1 1 296.414 3.005 20 30 CGEDMO CCC[N@@H+](CCC(C)(C)C#N)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000538466539 376243137 /nfs/dbraw/zinc/24/31/37/376243137.db2.gz LTTCNZLGSIJBJP-RRFJBIMHSA-N 1 1 278.440 3.452 20 30 CGEDMO COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1ccc(C#N)o1 ZINC000337871597 376243698 /nfs/dbraw/zinc/24/36/98/376243698.db2.gz RMDAUYKDPBNGQE-OAHLLOKOSA-N 1 1 286.306 3.076 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000539248642 376300395 /nfs/dbraw/zinc/30/03/95/376300395.db2.gz XMWHOLGMJZITRS-OLZOCXBDSA-N 1 1 278.362 3.300 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000338563567 376430272 /nfs/dbraw/zinc/43/02/72/376430272.db2.gz MATGTEGBTBDLGZ-LLVKDONJSA-N 1 1 273.302 3.115 20 30 CGEDMO CC[N@@H+](CC1CCC1)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000230316487 376505844 /nfs/dbraw/zinc/50/58/44/376505844.db2.gz QDBQQRUWAPOKPD-CYBMUJFWSA-N 1 1 285.391 3.007 20 30 CGEDMO CCc1ccc(C[N@H+](C)Cc2cccc(C#N)c2)nc1 ZINC000338889584 376563664 /nfs/dbraw/zinc/56/36/64/376563664.db2.gz GIYFFJWTYDXQAW-UHFFFAOYSA-N 1 1 265.360 3.148 20 30 CGEDMO CCc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)nc1 ZINC000338889584 376563672 /nfs/dbraw/zinc/56/36/72/376563672.db2.gz GIYFFJWTYDXQAW-UHFFFAOYSA-N 1 1 265.360 3.148 20 30 CGEDMO CC[N@H+](CCC#N)Cc1ccc(C)cc1-c1ccnn1C ZINC000338920266 376575053 /nfs/dbraw/zinc/57/50/53/376575053.db2.gz KLZXDGBIQFWAPG-UHFFFAOYSA-N 1 1 282.391 3.131 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1ccc(C)cc1-c1ccnn1C ZINC000338920266 376575060 /nfs/dbraw/zinc/57/50/60/376575060.db2.gz KLZXDGBIQFWAPG-UHFFFAOYSA-N 1 1 282.391 3.131 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000543251798 376623260 /nfs/dbraw/zinc/62/32/60/376623260.db2.gz IMRNXJXPUPZEDT-HNNXBMFYSA-N 1 1 272.392 3.435 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)ccc1C#N ZINC000234974155 376627068 /nfs/dbraw/zinc/62/70/68/376627068.db2.gz DPTBLVKRDZLCJP-OLZOCXBDSA-N 1 1 258.365 3.187 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccc(C(C)C)nc1CC ZINC000339134833 376703115 /nfs/dbraw/zinc/70/31/15/376703115.db2.gz QNWZYOKMPVSNBE-UHFFFAOYSA-N 1 1 276.424 3.402 20 30 CGEDMO C=C1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)CC1 ZINC000264498746 190114046 /nfs/dbraw/zinc/11/40/46/190114046.db2.gz VDBNRHPKYNISCV-ZIAGYGMSSA-N 1 1 290.382 3.043 20 30 CGEDMO C=C[C@H](CC(=O)NCC[N@@H+]1CC=C(C)CC1)c1ccccc1 ZINC000545162208 376791629 /nfs/dbraw/zinc/79/16/29/376791629.db2.gz FNAADAUQFWLNRN-QGZVFWFLSA-N 1 1 298.430 3.115 20 30 CGEDMO COc1ccc([C@@H](C)C[N@@H+](C)CC(C)(C)C#N)cc1 ZINC000556908671 376904850 /nfs/dbraw/zinc/90/48/50/376904850.db2.gz MIFNSCLYUIZITA-ZDUSSCGKSA-N 1 1 260.381 3.280 20 30 CGEDMO C[N@H+]1CCC[C@@H]1CCSc1ccc(C#N)cc1F ZINC000340046394 376899503 /nfs/dbraw/zinc/89/95/03/376899503.db2.gz ULXSPDFIJLRMQX-GFCCVEGCSA-N 1 1 264.369 3.274 20 30 CGEDMO Clc1cccc(C#CC[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c1 ZINC000245926696 376935851 /nfs/dbraw/zinc/93/58/51/376935851.db2.gz IBLKXOAYUXETCT-RDJZCZTQSA-N 1 1 289.806 3.192 20 30 CGEDMO C[C@@H](NCC[N@@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1 ZINC000245954652 376943714 /nfs/dbraw/zinc/94/37/14/376943714.db2.gz XCPAZIYCUMANEK-HUUCEWRRSA-N 1 1 271.408 3.083 20 30 CGEDMO C[C@@H](NCC[N@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1 ZINC000245954652 376943723 /nfs/dbraw/zinc/94/37/23/376943723.db2.gz XCPAZIYCUMANEK-HUUCEWRRSA-N 1 1 271.408 3.083 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](CC)[C@H](C)c1cccc(OC)c1 ZINC000246019198 376952861 /nfs/dbraw/zinc/95/28/61/376952861.db2.gz NAVAXOPTWOLPMW-GDBMZVCRSA-N 1 1 277.408 3.405 20 30 CGEDMO C[N@@H+]1CCN(Cc2ccc(C#N)s2)[C@@H](c2ccccc2)C1 ZINC000246349272 377015535 /nfs/dbraw/zinc/01/55/35/377015535.db2.gz WRIIJFUMPHQTBF-QGZVFWFLSA-N 1 1 297.427 3.108 20 30 CGEDMO C[N@H+]1CCN(Cc2ccc(C#N)s2)[C@@H](c2ccccc2)C1 ZINC000246349272 377015539 /nfs/dbraw/zinc/01/55/39/377015539.db2.gz WRIIJFUMPHQTBF-QGZVFWFLSA-N 1 1 297.427 3.108 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000246873132 377110361 /nfs/dbraw/zinc/11/03/61/377110361.db2.gz WLTOZHHFUQSYJY-ZIAGYGMSSA-N 1 1 295.810 3.120 20 30 CGEDMO CCc1noc(C)c1C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000340441454 377057901 /nfs/dbraw/zinc/05/79/01/377057901.db2.gz YUSIDWDKAYGQCS-SNVBAGLBSA-N 1 1 287.338 3.407 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000247315888 377191624 /nfs/dbraw/zinc/19/16/24/377191624.db2.gz HSLPHBWXSOCJTM-CJNGLKHVSA-N 1 1 292.448 3.213 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H](O)Cc1cccc(Cl)c1 ZINC000561886776 377249442 /nfs/dbraw/zinc/24/94/42/377249442.db2.gz MIDXTODUTUXLAV-CVEARBPZSA-N 1 1 279.811 3.284 20 30 CGEDMO CCCCOC1CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC000340903262 377311692 /nfs/dbraw/zinc/31/16/92/377311692.db2.gz NDOIPYNYILFCMZ-UHFFFAOYSA-N 1 1 290.382 3.478 20 30 CGEDMO C=CC1CC[NH+]([C@@H](C(=O)OCC)c2ccccc2)CC1 ZINC000562876622 377369498 /nfs/dbraw/zinc/36/94/98/377369498.db2.gz DIMMGOSHUSNCBQ-MRXNPFEDSA-N 1 1 273.376 3.189 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248628351 377369683 /nfs/dbraw/zinc/36/96/83/377369683.db2.gz PJOJXJASTMQYQG-JYJNAYRXSA-N 1 1 292.467 3.358 20 30 CGEDMO O[C@H](C[C@H]1CCC[N@H+]1CC#Cc1ccccc1)c1ccco1 ZINC000248878582 377418684 /nfs/dbraw/zinc/41/86/84/377418684.db2.gz OQWUNSBIRKRCEQ-QZTJIDSGSA-N 1 1 295.382 3.219 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CC[C@@H](c3cccnc3)C2)cc1 ZINC000564920756 377481011 /nfs/dbraw/zinc/48/10/11/377481011.db2.gz YTIOQQCIKUVGNP-GOSISDBHSA-N 1 1 277.371 3.137 20 30 CGEDMO Cc1cc(C[NH2+]CCc2ccc3cn[nH]c3c2)ccc1C#N ZINC000341273476 377482417 /nfs/dbraw/zinc/48/24/17/377482417.db2.gz PPSLHIODZJXJBM-UHFFFAOYSA-N 1 1 290.370 3.075 20 30 CGEDMO C=CC[C@@H]1[N@@H+](CCCc2cncn2C)CCCC1(C)C ZINC000565900259 377490665 /nfs/dbraw/zinc/49/06/65/377490665.db2.gz RPVDMSQLNFCHQG-INIZCTEOSA-N 1 1 275.440 3.419 20 30 CGEDMO CC1(C)CCC[N@@H+](CCOc2ccccc2C#N)CC1 ZINC000087657813 249024282 /nfs/dbraw/zinc/02/42/82/249024282.db2.gz GKJFPSRPTFTWMD-UHFFFAOYSA-N 1 1 272.392 3.449 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000568660876 377522338 /nfs/dbraw/zinc/52/23/38/377522338.db2.gz XFWRXKPLORICLQ-GASCZTMLSA-N 1 1 257.377 3.483 20 30 CGEDMO C[C@@H]1C[C@H](Nc2cc(Cl)ccc2C#N)CC[N@H+]1C ZINC000090794956 249029445 /nfs/dbraw/zinc/02/94/45/249029445.db2.gz QZQLLSZCUOESOE-ZWNOBZJWSA-N 1 1 263.772 3.106 20 30 CGEDMO COC1CCC([N@@H+](C)Cc2ccc(C#N)s2)CC1 ZINC000271165396 249062548 /nfs/dbraw/zinc/06/25/48/249062548.db2.gz FMGLOZXQHJEKNE-UHFFFAOYSA-N 1 1 264.394 3.009 20 30 CGEDMO CCC(CC)C[N@H+](CCC#N)CCCc1cncn1C ZINC000570055334 377532993 /nfs/dbraw/zinc/53/29/93/377532993.db2.gz MWKUMHFDAQOUGG-UHFFFAOYSA-N 1 1 276.428 3.005 20 30 CGEDMO C[C@@H](CO)[N@@H+](CC#Cc1cccc(Cl)c1)C1CCCC1 ZINC000570537998 377536943 /nfs/dbraw/zinc/53/69/43/377536943.db2.gz IIEQYPSMXIXHPP-AWEZNQCLSA-N 1 1 291.822 3.317 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCCCNc1cccc(C#N)n1 ZINC000265532548 190188596 /nfs/dbraw/zinc/18/85/96/190188596.db2.gz NRUYPBZASNRGCS-AWEZNQCLSA-N 1 1 272.396 3.020 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000253092944 377673242 /nfs/dbraw/zinc/67/32/42/377673242.db2.gz LRMMURZPAZDFDL-RCCFBDPRSA-N 1 1 284.403 3.074 20 30 CGEDMO Cc1cc(C[N@H+]2CC[C@H](c3ccncc3)C2)ccc1C#N ZINC000574530280 377677092 /nfs/dbraw/zinc/67/70/92/377677092.db2.gz WRJUTCGDPXOSIM-SFHVURJKSA-N 1 1 277.371 3.251 20 30 CGEDMO Cc1nsc(NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1C#N ZINC000575238704 377764145 /nfs/dbraw/zinc/76/41/45/377764145.db2.gz RBTIFNXGNCAPQG-TXEJJXNPSA-N 1 1 292.452 3.103 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(CC#N)cc2)C[C@H]1n1ccnc1 ZINC000342756725 377775509 /nfs/dbraw/zinc/77/55/09/377775509.db2.gz VHQOTHIHPGTEQO-CRAIPNDOSA-N 1 1 294.402 3.032 20 30 CGEDMO C[N@@H+](CCc1ccc(Cl)cc1)CC(C)(C)C#N ZINC000259000442 377802193 /nfs/dbraw/zinc/80/21/93/377802193.db2.gz YUNAGLARHDZHGA-UHFFFAOYSA-N 1 1 250.773 3.364 20 30 CGEDMO C[N@H+](Cc1ccc(Br)cc1)CC(C)(C)C#N ZINC000259002222 377802923 /nfs/dbraw/zinc/80/29/23/377802923.db2.gz ZCCSYKVGWRMAKN-UHFFFAOYSA-N 1 1 281.197 3.431 20 30 CGEDMO C[N@@H+](Cc1ccc(Br)cc1)CC(C)(C)C#N ZINC000259002222 377802929 /nfs/dbraw/zinc/80/29/29/377802929.db2.gz ZCCSYKVGWRMAKN-UHFFFAOYSA-N 1 1 281.197 3.431 20 30 CGEDMO N#Cc1ccc(N2CCC[N@H+](C3CCCC3)CC2)c(F)c1 ZINC000265614532 378005897 /nfs/dbraw/zinc/00/58/97/378005897.db2.gz VZSQVVPRJASXEI-UHFFFAOYSA-N 1 1 287.382 3.152 20 30 CGEDMO N#CCC[N@@H+](CCc1cccc(F)c1F)CC1CC1 ZINC000343530969 378008940 /nfs/dbraw/zinc/00/89/40/378008940.db2.gz DIDSWMVHSDRMFC-UHFFFAOYSA-N 1 1 264.319 3.133 20 30 CGEDMO N#CCC[N@H+](CCc1cccc(F)c1F)CC1CC1 ZINC000343530969 378008948 /nfs/dbraw/zinc/00/89/48/378008948.db2.gz DIDSWMVHSDRMFC-UHFFFAOYSA-N 1 1 264.319 3.133 20 30 CGEDMO Cn1cccc1[C@H]1CCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000264544387 377988400 /nfs/dbraw/zinc/98/84/00/377988400.db2.gz ISNPKFJYZOJXET-GOSISDBHSA-N 1 1 295.386 3.265 20 30 CGEDMO Cc1ccc(C[N@H+](C)Cc2ccc(OCC#N)cc2)o1 ZINC000264546767 377988551 /nfs/dbraw/zinc/98/85/51/377988551.db2.gz JWJRVTSOZXEGLV-UHFFFAOYSA-N 1 1 270.332 3.122 20 30 CGEDMO C=CCC[N@@H+](C)Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000343481807 377992787 /nfs/dbraw/zinc/99/27/87/377992787.db2.gz FYAQLFDEVDLQHH-UHFFFAOYSA-N 1 1 294.761 3.068 20 30 CGEDMO C=CCC[N@H+](C)Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000343481807 377992789 /nfs/dbraw/zinc/99/27/89/377992789.db2.gz FYAQLFDEVDLQHH-UHFFFAOYSA-N 1 1 294.761 3.068 20 30 CGEDMO CC[N@@H+](CCc1cccs1)C[C@@H](C#N)CCC#N ZINC000264843337 377993722 /nfs/dbraw/zinc/99/37/22/377993722.db2.gz HHDSVEQOTGAITC-CYBMUJFWSA-N 1 1 261.394 3.056 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(OC)c(OCCC)c1 ZINC000343501010 377996329 /nfs/dbraw/zinc/99/63/29/377996329.db2.gz XGUNIIDYAAJMCN-UHFFFAOYSA-N 1 1 263.381 3.492 20 30 CGEDMO CC(C)[N@H+]1CCCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC000267430026 378039508 /nfs/dbraw/zinc/03/95/08/378039508.db2.gz YPCPGAJWBWATST-UHFFFAOYSA-N 1 1 290.838 3.108 20 30 CGEDMO CCC[N@@H+](CC)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000343646252 378052294 /nfs/dbraw/zinc/05/22/94/378052294.db2.gz KYNKCRRYUMKILV-CKDBGZEDSA-N 1 1 293.455 3.038 20 30 CGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H]2c2ccccc2)cc1 ZINC000268569246 378075086 /nfs/dbraw/zinc/07/50/86/378075086.db2.gz AGHSTTAHGVOOOK-OALUTQOASA-N 1 1 292.382 3.429 20 30 CGEDMO COCC[N@@H+](CCCSCC#N)[C@H](C)c1ccccc1 ZINC000266696119 378024246 /nfs/dbraw/zinc/02/42/46/378024246.db2.gz DJWFFPAJOHBSAX-OAHLLOKOSA-N 1 1 292.448 3.343 20 30 CGEDMO N#Cc1csc(C[NH2+]Cc2ccn(-c3ccccc3)n2)c1 ZINC000343896247 378127709 /nfs/dbraw/zinc/12/77/09/378127709.db2.gz VLABTAMPGVSYQI-UHFFFAOYSA-N 1 1 294.383 3.095 20 30 CGEDMO C=CCCC[N@@H+]1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000268862404 378133184 /nfs/dbraw/zinc/13/31/84/378133184.db2.gz FPKVCGOXCAKPMF-MRXNPFEDSA-N 1 1 261.365 3.035 20 30 CGEDMO C=CCCC[N@H+]1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000268862404 378133192 /nfs/dbraw/zinc/13/31/92/378133192.db2.gz FPKVCGOXCAKPMF-MRXNPFEDSA-N 1 1 261.365 3.035 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H](O)C(C)(C)C ZINC000343949680 378141087 /nfs/dbraw/zinc/14/10/87/378141087.db2.gz WZALRQCFDCLORV-MRXNPFEDSA-N 1 1 293.455 3.249 20 30 CGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC3(C2)CCCCC3)cc1 ZINC000268686133 378089335 /nfs/dbraw/zinc/08/93/35/378089335.db2.gz NPDBPZPMROBLAL-QGZVFWFLSA-N 1 1 284.403 3.248 20 30 CGEDMO CC(C)O[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000579349221 378152359 /nfs/dbraw/zinc/15/23/59/378152359.db2.gz DWSITBJBLOKPMO-MRXNPFEDSA-N 1 1 277.795 3.191 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000580056378 378219880 /nfs/dbraw/zinc/21/98/80/378219880.db2.gz WYGLRDVXLGWKNE-CQSZACIVSA-N 1 1 267.413 3.396 20 30 CGEDMO C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000269774956 378266406 /nfs/dbraw/zinc/26/64/06/378266406.db2.gz CWWOIYALHQPEND-HOCLYGCPSA-N 1 1 286.419 3.223 20 30 CGEDMO C=C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000580902712 378266931 /nfs/dbraw/zinc/26/69/31/378266931.db2.gz NEPONAVPJPLTIY-ZWKOTPCHSA-N 1 1 298.430 3.076 20 30 CGEDMO CC[C@@H](NCC[N@H+](CC)C(C)C)c1ccc(C#N)cc1 ZINC000580275476 378237339 /nfs/dbraw/zinc/23/73/39/378237339.db2.gz YQPMPJXWCQYCAC-QGZVFWFLSA-N 1 1 273.424 3.329 20 30 CGEDMO CC[C@@H](NCC[N@@H+](CC)C(C)C)c1ccc(C#N)cc1 ZINC000580275476 378237344 /nfs/dbraw/zinc/23/73/44/378237344.db2.gz YQPMPJXWCQYCAC-QGZVFWFLSA-N 1 1 273.424 3.329 20 30 CGEDMO C[C@]1(c2ccc(F)cc2)CC[N@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000580837973 378262340 /nfs/dbraw/zinc/26/23/40/378262340.db2.gz ODMMDVXJQHKEFP-XYPHTWIQSA-N 1 1 272.367 3.481 20 30 CGEDMO C#CC[C@H]([NH2+]Cc1ccc(COC)o1)c1ccccc1 ZINC000270141915 378313614 /nfs/dbraw/zinc/31/36/14/378313614.db2.gz BECXXPUXVNGGDT-KRWDZBQOSA-N 1 1 269.344 3.280 20 30 CGEDMO CC(C)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000583937254 378359098 /nfs/dbraw/zinc/35/90/98/378359098.db2.gz GPPZXHIZHAADES-CQSZACIVSA-N 1 1 287.363 3.334 20 30 CGEDMO N#CCCC1CC[NH+](Cc2ccn(-c3ccccc3)n2)CC1 ZINC000584467574 378386217 /nfs/dbraw/zinc/38/62/17/378386217.db2.gz UHVYJZBIDBUUCA-UHFFFAOYSA-N 1 1 294.402 3.388 20 30 CGEDMO C#CCCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000271053716 378442073 /nfs/dbraw/zinc/44/20/73/378442073.db2.gz QLSAHHNDNHCCGV-QGZVFWFLSA-N 1 1 283.371 3.229 20 30 CGEDMO CC[C@H](C[NH2+][C@H](C)c1ccc(C#N)c(F)c1)N1CCCC1 ZINC000271960698 378530587 /nfs/dbraw/zinc/53/05/87/378530587.db2.gz UICOPUUAZQYYHL-CZUORRHYSA-N 1 1 289.398 3.222 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000346963966 378698518 /nfs/dbraw/zinc/69/85/18/378698518.db2.gz AXPULMQPUYZJRN-SFHVURJKSA-N 1 1 277.371 3.485 20 30 CGEDMO C=CC[N@H+](CCC(C)(C)CC(=O)OCC)C1CC1 ZINC000347019471 378704060 /nfs/dbraw/zinc/70/40/60/378704060.db2.gz RPEMVQPWTDYUBG-UHFFFAOYSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CCOCCC[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000348117314 378798724 /nfs/dbraw/zinc/79/87/24/378798724.db2.gz ZSTNVXWMUYLSDM-SFHVURJKSA-N 1 1 287.403 3.101 20 30 CGEDMO CCCC[N@H+]1CCCC[C@H]1CNc1nc(C)ccc1C#N ZINC000346824701 218024253 /nfs/dbraw/zinc/02/42/53/218024253.db2.gz GMLHHABYEPSIFK-INIZCTEOSA-N 1 1 286.423 3.328 20 30 CGEDMO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NCC1(C#N)CC1 ZINC000348300490 378894484 /nfs/dbraw/zinc/89/44/84/378894484.db2.gz BBZIEVSWRNFSFY-QGZVFWFLSA-N 1 1 285.435 3.036 20 30 CGEDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NCC1(C#N)CC1 ZINC000348300490 378894486 /nfs/dbraw/zinc/89/44/86/378894486.db2.gz BBZIEVSWRNFSFY-QGZVFWFLSA-N 1 1 285.435 3.036 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000274790014 378895517 /nfs/dbraw/zinc/89/55/17/378895517.db2.gz NRFXUPFIJMWHLL-JSGCOSHPSA-N 1 1 251.395 3.476 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@H](c3ccco3)C2)ccc1F ZINC000370433886 379017502 /nfs/dbraw/zinc/01/75/02/379017502.db2.gz PXMHSIMQKHHJTE-ZDUSSCGKSA-N 1 1 270.307 3.280 20 30 CGEDMO CC[C@@]1(C)CC[N@@H+](Cc2ccc(C#N)cc2OC)C1 ZINC000347238014 218164410 /nfs/dbraw/zinc/16/44/10/218164410.db2.gz AFRFLCPYEZXYII-INIZCTEOSA-N 1 1 258.365 3.189 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1C[C@@H](C)CC1(C)C ZINC000347248844 218168687 /nfs/dbraw/zinc/16/86/87/218168687.db2.gz FPWYGHCVKZKZMW-LBPRGKRZSA-N 1 1 258.365 3.187 20 30 CGEDMO CC[N@@H+](Cc1ccncc1)Cc1ccc(C#N)c(C)c1 ZINC000348899056 379103632 /nfs/dbraw/zinc/10/36/32/379103632.db2.gz ZVRANWSFDCODRG-UHFFFAOYSA-N 1 1 265.360 3.284 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2ccc3c(n2)CCCC3)c(F)c1 ZINC000277654928 379209311 /nfs/dbraw/zinc/20/93/11/379209311.db2.gz GBDDZXVXGXIDPR-UHFFFAOYSA-N 1 1 295.361 3.261 20 30 CGEDMO CC(C)[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000266507374 190262068 /nfs/dbraw/zinc/26/20/68/190262068.db2.gz CIKJZVMUZTUNPD-HNNXBMFYSA-N 1 1 296.374 3.229 20 30 CGEDMO C=C1CC[NH+](Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000277732526 379224855 /nfs/dbraw/zinc/22/48/55/379224855.db2.gz ODOMILYBXIUFAP-UHFFFAOYSA-N 1 1 256.271 3.252 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([NH2+]Cc2coc(-c3ccccc3)n2)C1 ZINC000349800269 379389440 /nfs/dbraw/zinc/38/94/40/379389440.db2.gz JAKSKNRNXSEXJF-TZMCWYRMSA-N 1 1 267.332 3.123 20 30 CGEDMO CC[C@@H](NC[C@@H](C)C[NH+]1CCCC1)c1ccc(C#N)cc1 ZINC000278339068 379354098 /nfs/dbraw/zinc/35/40/98/379354098.db2.gz XFGPHKNCAQSXDB-CRAIPNDOSA-N 1 1 285.435 3.331 20 30 CGEDMO N#Cc1cccc([C@H]2C[N@H+](CCc3ccccc3)CCO2)c1 ZINC000374387353 379432226 /nfs/dbraw/zinc/43/22/26/379432226.db2.gz PYTQZCHSPDXPGL-LJQANCHMSA-N 1 1 292.382 3.174 20 30 CGEDMO N#Cc1cccc([C@H]2C[N@@H+](CCc3ccccc3)CCO2)c1 ZINC000374387353 379432229 /nfs/dbraw/zinc/43/22/29/379432229.db2.gz PYTQZCHSPDXPGL-LJQANCHMSA-N 1 1 292.382 3.174 20 30 CGEDMO N#CCSCCC[N@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000374814198 379477982 /nfs/dbraw/zinc/47/79/82/379477982.db2.gz LIUKEOJYBRQWJO-HNNXBMFYSA-N 1 1 296.386 3.343 20 30 CGEDMO N#CCSCCC[N@@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000374814198 379477989 /nfs/dbraw/zinc/47/79/89/379477989.db2.gz LIUKEOJYBRQWJO-HNNXBMFYSA-N 1 1 296.386 3.343 20 30 CGEDMO CC(C)C[N@H+](CCC#N)[C@H]1CCCc2cccnc21 ZINC000375405170 379496061 /nfs/dbraw/zinc/49/60/61/379496061.db2.gz RNPSRWMZYGSNNO-HNNXBMFYSA-N 1 1 257.381 3.331 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)[C@H]1CCCc2cccnc21 ZINC000375405170 379496067 /nfs/dbraw/zinc/49/60/67/379496067.db2.gz RNPSRWMZYGSNNO-HNNXBMFYSA-N 1 1 257.381 3.331 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccccc1-c1ccnn1C ZINC000350177842 379526094 /nfs/dbraw/zinc/52/60/94/379526094.db2.gz UXOVKCMSJUBPOS-UHFFFAOYSA-N 1 1 269.392 3.485 20 30 CGEDMO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CCCCC(C)(C)C#N)C2 ZINC000375761683 379509421 /nfs/dbraw/zinc/50/94/21/379509421.db2.gz IJUFFZYGGCHBHN-XYPWUTKMSA-N 1 1 277.456 3.263 20 30 CGEDMO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CCCCC(C)(C)C#N)C2 ZINC000375761683 379509424 /nfs/dbraw/zinc/50/94/24/379509424.db2.gz IJUFFZYGGCHBHN-XYPWUTKMSA-N 1 1 277.456 3.263 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2nc(C3CCC3)no2)C1 ZINC000639798717 379592420 /nfs/dbraw/zinc/59/24/20/379592420.db2.gz LQEYFDZVYSYECA-LBPRGKRZSA-N 1 1 261.369 3.125 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2nc(C3CCC3)no2)C1 ZINC000639798717 379592428 /nfs/dbraw/zinc/59/24/28/379592428.db2.gz LQEYFDZVYSYECA-LBPRGKRZSA-N 1 1 261.369 3.125 20 30 CGEDMO CCN(CC)[C@H](C)C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000279986921 379572265 /nfs/dbraw/zinc/57/22/65/379572265.db2.gz DZWYQHLPZKXNGC-CHWSQXEVSA-N 1 1 277.387 3.078 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](C)CCCOc1ccccc1C ZINC000351638171 379733839 /nfs/dbraw/zinc/73/38/39/379733839.db2.gz KDCMTPHPBRDEFR-MRXNPFEDSA-N 1 1 277.408 3.023 20 30 CGEDMO C=CCN(CC[C@H]1CCCC[N@@H+]1C)Cc1cccc(C#N)c1 ZINC000351638178 379734220 /nfs/dbraw/zinc/73/42/20/379734220.db2.gz KFTXOYJHAUMWAW-LJQANCHMSA-N 1 1 297.446 3.421 20 30 CGEDMO CO[C@]1(C)CCC[N@@H+](Cc2cc(F)ccc2C#N)CC1 ZINC000280603348 379743483 /nfs/dbraw/zinc/74/34/83/379743483.db2.gz VHYHEBNYFKLBGN-MRXNPFEDSA-N 1 1 276.355 3.088 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)s1 ZINC000377836197 379748179 /nfs/dbraw/zinc/74/81/79/379748179.db2.gz ZPHYWYFJVBUQGJ-ZIAGYGMSSA-N 1 1 290.432 3.258 20 30 CGEDMO CC(C)[C@H]1CCCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000395781292 379922343 /nfs/dbraw/zinc/92/23/43/379922343.db2.gz MJGLHRQZAHAXDJ-QGZVFWFLSA-N 1 1 272.392 3.448 20 30 CGEDMO CCCC[C@H](C)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000388421681 379888331 /nfs/dbraw/zinc/88/83/31/379888331.db2.gz OLTYYYJOXOESFK-AWEZNQCLSA-N 1 1 260.381 3.448 20 30 CGEDMO C=C(C)C[N@@H+](CCCC(C)(C)C#N)Cc1ccc(CO)o1 ZINC000352800569 379968557 /nfs/dbraw/zinc/96/85/57/379968557.db2.gz ZXIYTCIUDXRZNJ-UHFFFAOYSA-N 1 1 290.407 3.480 20 30 CGEDMO CC1(C)CC[N@@H+](Cc2ccc(CC#N)cc2)CCS1 ZINC000399117345 379935212 /nfs/dbraw/zinc/93/52/12/379935212.db2.gz NHKWOEPWFNXTEW-UHFFFAOYSA-N 1 1 274.433 3.470 20 30 CGEDMO CC[C@H]1C[C@H](C)C[N@H+]1CCOc1ccc(C#N)cc1 ZINC000399720771 379943000 /nfs/dbraw/zinc/94/30/00/379943000.db2.gz COWOJFUEEMQIHL-ZFWWWQNUSA-N 1 1 258.365 3.057 20 30 CGEDMO C=C(C)C[N@H+](CCCCCO)Cc1cnn(C(C)C)c1 ZINC000352915410 380035274 /nfs/dbraw/zinc/03/52/74/380035274.db2.gz OCTAOQRIYGZMCY-UHFFFAOYSA-N 1 1 279.428 3.005 20 30 CGEDMO CC(C)CO[C@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000409446020 380032918 /nfs/dbraw/zinc/03/29/18/380032918.db2.gz BDFCEHJMXVKRGX-HNNXBMFYSA-N 1 1 266.429 3.453 20 30 CGEDMO CCCC[N@@H+](CC)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000267936629 190363823 /nfs/dbraw/zinc/36/38/23/190363823.db2.gz QLXYYBJFKMGUGJ-UHFFFAOYSA-N 1 1 293.798 3.272 20 30 CGEDMO C=CCN(CC1CCCCC1)[C@H](C)c1n[nH]c(C)n1 ZINC000411263497 380136324 /nfs/dbraw/zinc/13/63/24/380136324.db2.gz STYFBQWRZVDLIK-GFCCVEGCSA-N 1 1 262.401 3.242 20 30 CGEDMO C=CC[N@H+](CC1CCCCC1)[C@H](C)c1nnc(C)[nH]1 ZINC000411263497 380136333 /nfs/dbraw/zinc/13/63/33/380136333.db2.gz STYFBQWRZVDLIK-GFCCVEGCSA-N 1 1 262.401 3.242 20 30 CGEDMO C=CC[N@@H+](CC1CCCCC1)[C@H](C)c1nnc(C)[nH]1 ZINC000411263497 380136337 /nfs/dbraw/zinc/13/63/37/380136337.db2.gz STYFBQWRZVDLIK-GFCCVEGCSA-N 1 1 262.401 3.242 20 30 CGEDMO CN(CCC1(C#N)CCCCC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000411261823 380137291 /nfs/dbraw/zinc/13/72/91/380137291.db2.gz QGWWXDQILWWWHO-MRXNPFEDSA-N 1 1 275.440 3.019 20 30 CGEDMO C[N@H+](CCC1(C#N)CCCCC1)[C@@H]1CCN(C2CC2)C1 ZINC000411261823 380137296 /nfs/dbraw/zinc/13/72/96/380137296.db2.gz QGWWXDQILWWWHO-MRXNPFEDSA-N 1 1 275.440 3.019 20 30 CGEDMO C[N@@H+](CCC1(C#N)CCCCC1)[C@@H]1CCN(C2CC2)C1 ZINC000411261823 380137300 /nfs/dbraw/zinc/13/73/00/380137300.db2.gz QGWWXDQILWWWHO-MRXNPFEDSA-N 1 1 275.440 3.019 20 30 CGEDMO C[C@H](C#N)C[N@H+](CCC1(C#N)CCCCC1)C1CC1 ZINC000411402577 380145256 /nfs/dbraw/zinc/14/52/56/380145256.db2.gz QNSDLFRCAXKKCW-CQSZACIVSA-N 1 1 259.397 3.475 20 30 CGEDMO C[C@H](C#N)C[N@@H+](CCC1(C#N)CCCCC1)C1CC1 ZINC000411402577 380145263 /nfs/dbraw/zinc/14/52/63/380145263.db2.gz QNSDLFRCAXKKCW-CQSZACIVSA-N 1 1 259.397 3.475 20 30 CGEDMO N#CC1(CC[N@@H+]2CCCN(CC(F)F)CC2)CCCCC1 ZINC000411427458 380146342 /nfs/dbraw/zinc/14/63/42/380146342.db2.gz OWSSUKSZXOJVGA-UHFFFAOYSA-N 1 1 299.409 3.123 20 30 CGEDMO C[C@@H]([NH2+]CCC#N)c1ccc(-c2ccncc2)cc1 ZINC000411473000 380146996 /nfs/dbraw/zinc/14/69/96/380146996.db2.gz JETRIYWBRPQQGT-CYBMUJFWSA-N 1 1 251.333 3.313 20 30 CGEDMO CO[C@@H](C[N@@H+](C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000284071313 380122243 /nfs/dbraw/zinc/12/22/43/380122243.db2.gz RMJORRRKKPRRGW-SFHVURJKSA-N 1 1 280.371 3.378 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)NC1CCCC1 ZINC000411134431 380130416 /nfs/dbraw/zinc/13/04/16/380130416.db2.gz NYWHCSSRTBURAA-OAHLLOKOSA-N 1 1 286.419 3.122 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)NC1CCCC1 ZINC000411134431 380130422 /nfs/dbraw/zinc/13/04/22/380130422.db2.gz NYWHCSSRTBURAA-OAHLLOKOSA-N 1 1 286.419 3.122 20 30 CGEDMO C=CC[NH+](CC=C)[C@@H](C)C(=O)N(C)Cc1ccccc1C ZINC000411165790 380131869 /nfs/dbraw/zinc/13/18/69/380131869.db2.gz QPLQXAVVVFRUFQ-INIZCTEOSA-N 1 1 286.419 3.016 20 30 CGEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CC[C@@H](C#N)C1 ZINC000411191820 380134340 /nfs/dbraw/zinc/13/43/40/380134340.db2.gz KHYMBLDMEUDZFD-HIFRSBDPSA-N 1 1 285.347 3.275 20 30 CGEDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1(C)C ZINC000353956968 380252239 /nfs/dbraw/zinc/25/22/39/380252239.db2.gz NAEBGOLGEHVDQY-WBVHZDCISA-N 1 1 272.392 3.194 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]2Cc2ccccc2)cc1 ZINC000354010422 380276816 /nfs/dbraw/zinc/27/68/16/380276816.db2.gz QCHUBCYEKPZRIS-GOSISDBHSA-N 1 1 262.356 3.375 20 30 CGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](C)C(C)(C)C1 ZINC000354025039 380284208 /nfs/dbraw/zinc/28/42/08/380284208.db2.gz XWCXYMYSCCSZBY-KBPBESRZSA-N 1 1 299.418 3.253 20 30 CGEDMO C[C@@H](C#N)C[N@H+](Cc1ccc2ncccc2c1)C1CC1 ZINC000354032901 380289662 /nfs/dbraw/zinc/28/96/62/380289662.db2.gz FXZUXYVPFFNYBR-ZDUSSCGKSA-N 1 1 265.360 3.359 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](Cc1ccc2ncccc2c1)C1CC1 ZINC000354032901 380289668 /nfs/dbraw/zinc/28/96/68/380289668.db2.gz FXZUXYVPFFNYBR-ZDUSSCGKSA-N 1 1 265.360 3.359 20 30 CGEDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CC1(C)C ZINC000354041768 380295203 /nfs/dbraw/zinc/29/52/03/380295203.db2.gz CZVOMCAKWWASIE-AWEZNQCLSA-N 1 1 299.418 3.255 20 30 CGEDMO C=C(C)C(C)(C)c1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1 ZINC000643956767 380401153 /nfs/dbraw/zinc/40/11/53/380401153.db2.gz SPOUIFZVGPOZLP-YHWZYXNKSA-N 1 1 275.396 3.264 20 30 CGEDMO COc1cc(C[N@H+]2CC[C@@H](CC3CC3)C2)ccc1C#N ZINC000354528680 380473172 /nfs/dbraw/zinc/47/31/72/380473172.db2.gz SJOBIQOABRZLHL-HNNXBMFYSA-N 1 1 270.376 3.189 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCSC[C@H]2C2CCC2)s1 ZINC000418128821 380706918 /nfs/dbraw/zinc/70/69/18/380706918.db2.gz RFHXNKOOCVAUDR-AWEZNQCLSA-N 1 1 278.446 3.337 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)CCCc1nc(-c2ccccc2)no1 ZINC000279191029 194325224 /nfs/dbraw/zinc/32/52/24/194325224.db2.gz DVTAWYIQUTVDCX-UHFFFAOYSA-N 1 1 283.375 3.013 20 30 CGEDMO C=CCOCCC[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420955090 380863713 /nfs/dbraw/zinc/86/37/13/380863713.db2.gz VPJSDPSPBMOWJH-LBPRGKRZSA-N 1 1 265.319 3.244 20 30 CGEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000646116738 380838645 /nfs/dbraw/zinc/83/86/45/380838645.db2.gz DDGDGYNGOXUBBA-WBVHZDCISA-N 1 1 296.414 3.070 20 30 CGEDMO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1CCCCC#N ZINC000420920985 380860325 /nfs/dbraw/zinc/86/03/25/380860325.db2.gz CEVZUTNFLHCZKH-ZIAGYGMSSA-N 1 1 280.412 3.122 20 30 CGEDMO N#CCC[N@@H+](CC1CC1)C[C@@H]1CCc2ccccc2C1 ZINC000359605209 381355450 /nfs/dbraw/zinc/35/54/50/381355450.db2.gz XXPLLCGTDQDKLQ-MRXNPFEDSA-N 1 1 268.404 3.417 20 30 CGEDMO CC[N@@H+](Cc1c(C)cnn1C)[C@H](C)c1ccc(C#N)cc1 ZINC000289069220 197226898 /nfs/dbraw/zinc/22/68/98/197226898.db2.gz JRAFSMNIXVYVDE-CQSZACIVSA-N 1 1 282.391 3.183 20 30 CGEDMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000360475312 381554505 /nfs/dbraw/zinc/55/45/05/381554505.db2.gz BJDSWRHIMCWDJI-CJNGLKHVSA-N 1 1 267.376 3.431 20 30 CGEDMO Cc1ccncc1C[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000361410337 381736332 /nfs/dbraw/zinc/73/63/32/381736332.db2.gz MPFBLPRZVKTBDE-UHFFFAOYSA-N 1 1 265.360 3.088 20 30 CGEDMO CC#CC[N@H+]1CCC[C@H]1c1nc2ccccc2n1CC ZINC000361436052 381746016 /nfs/dbraw/zinc/74/60/16/381746016.db2.gz RBSWWBSULMKCRM-INIZCTEOSA-N 1 1 267.376 3.216 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H]1c1nc2ccccc2n1CC ZINC000361436052 381746018 /nfs/dbraw/zinc/74/60/18/381746018.db2.gz RBSWWBSULMKCRM-INIZCTEOSA-N 1 1 267.376 3.216 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1CCC(C)(C)C1 ZINC000361469429 381760103 /nfs/dbraw/zinc/76/01/03/381760103.db2.gz MLSLULGXDZXLMM-HNNXBMFYSA-N 1 1 299.418 3.397 20 30 CGEDMO CC[N@@H+](CCC(=O)Nc1sccc1C#N)CC1CCC1 ZINC000361481209 381764978 /nfs/dbraw/zinc/76/49/78/381764978.db2.gz KJVBJLCEPJJFBO-UHFFFAOYSA-N 1 1 291.420 3.070 20 30 CGEDMO N#Cc1ccccc1NC(=O)CC[N@@H+](CC1CC1)C1CCC1 ZINC000361572848 381813328 /nfs/dbraw/zinc/81/33/28/381813328.db2.gz WIEFTICUQARMQY-UHFFFAOYSA-N 1 1 297.402 3.151 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000361648890 381857805 /nfs/dbraw/zinc/85/78/05/381857805.db2.gz VINUEFSLZJZICU-JYJNAYRXSA-N 1 1 267.413 3.001 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCc1cccnc1 ZINC000362440802 381993937 /nfs/dbraw/zinc/99/39/37/381993937.db2.gz SDTMUCXCPZWCTG-MOPGFXCFSA-N 1 1 291.398 3.396 20 30 CGEDMO CC(C)(CCC#N)C[N@@H+](CCO)CC1CCCCC1 ZINC000362516269 382030728 /nfs/dbraw/zinc/03/07/28/382030728.db2.gz OATUXRQOIOMGKY-UHFFFAOYSA-N 1 1 266.429 3.191 20 30 CGEDMO Cc1ncc(C[N@@H+](C)Cc2ccc(C#N)c(C)c2)s1 ZINC000362954030 382161434 /nfs/dbraw/zinc/16/14/34/382161434.db2.gz FVQBQRLLJMPIRB-UHFFFAOYSA-N 1 1 271.389 3.264 20 30 CGEDMO Cc1ncc(C[N@H+](C)Cc2ccc(C#N)c(C)c2)s1 ZINC000362954030 382161444 /nfs/dbraw/zinc/16/14/44/382161444.db2.gz FVQBQRLLJMPIRB-UHFFFAOYSA-N 1 1 271.389 3.264 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)c1 ZINC000281001880 195063933 /nfs/dbraw/zinc/06/39/33/195063933.db2.gz MTOKITXAOOVVLC-IPMKNSEASA-N 1 1 298.430 3.464 20 30 CGEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@H+]2Cc2cccc(C#N)c2)C1 ZINC000281104225 195105323 /nfs/dbraw/zinc/10/53/23/195105323.db2.gz AQCFTEVYEXILAY-AXUOBQJMSA-N 1 1 298.430 3.320 20 30 CGEDMO Cc1cc(C)c(C#N)c(NCC[N@H+](C)Cc2ccccc2)n1 ZINC000350223431 219000482 /nfs/dbraw/zinc/00/04/82/219000482.db2.gz STPRVMANBNFWLR-UHFFFAOYSA-N 1 1 294.402 3.114 20 30 CGEDMO C[C@@H]([NH2+][C@H](c1nccn1C)C1CC1)c1cccc(C#N)c1 ZINC000353881069 220385275 /nfs/dbraw/zinc/38/52/75/220385275.db2.gz POTKBLDJOOKSND-WBMJQRKESA-N 1 1 280.375 3.094 20 30 CGEDMO COC(=O)C(C)(C)CC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425365288 533126377 /nfs/dbraw/zinc/12/63/77/533126377.db2.gz JVKQPTFRDDKXIA-CYBMUJFWSA-N 1 1 288.391 3.140 20 30 CGEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1cccc2[nH]cnc21 ZINC000329296265 542446095 /nfs/dbraw/zinc/44/60/95/542446095.db2.gz SUACEDNHPVBJBB-GFCCVEGCSA-N 1 1 286.379 3.415 20 30 CGEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1nccs1 ZINC000080267871 177634104 /nfs/dbraw/zinc/63/41/04/177634104.db2.gz NOQSZUMNDDKSOM-WDEREUQCSA-N 1 1 257.362 3.427 20 30 CGEDMO Cc1nn(C(C)C)cc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000281747741 195363830 /nfs/dbraw/zinc/36/38/30/195363830.db2.gz VUNMKDCEWMOLCG-UHFFFAOYSA-N 1 1 282.391 3.276 20 30 CGEDMO Cc1nn(C(C)C)cc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000281747741 195363833 /nfs/dbraw/zinc/36/38/33/195363833.db2.gz VUNMKDCEWMOLCG-UHFFFAOYSA-N 1 1 282.391 3.276 20 30 CGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC(C)(C)C[C@@H]1C ZINC000412046201 533504182 /nfs/dbraw/zinc/50/41/82/533504182.db2.gz QQSANWMKXYLPOZ-ZDUSSCGKSA-N 1 1 288.391 3.066 20 30 CGEDMO Cc1cncc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000189811115 130025211 /nfs/dbraw/zinc/02/52/11/130025211.db2.gz CQCFUONERVLQSV-UHFFFAOYSA-N 1 1 277.371 3.426 20 30 CGEDMO C[N@@H+](CCOc1ccccc1C#N)CC1CCCC1 ZINC000064021809 392140306 /nfs/dbraw/zinc/14/03/06/392140306.db2.gz WAGSZXPWTKUAEJ-UHFFFAOYSA-N 1 1 258.365 3.059 20 30 CGEDMO CC[N@@H+](CCOC(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000060477464 392122763 /nfs/dbraw/zinc/12/27/63/392122763.db2.gz BSGALANPYOJEOL-CQSZACIVSA-N 1 1 260.381 3.366 20 30 CGEDMO C[N@@H+](Cc1ccc([S@@](C)=O)cc1)CC(C)(C)CCC#N ZINC000093713369 392239657 /nfs/dbraw/zinc/23/96/57/392239657.db2.gz ZDZZQMYLCBYASJ-FQEVSTJZSA-N 1 1 292.448 3.186 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(O)c1)Cc1cccc(C#N)c1 ZINC000092504510 392233203 /nfs/dbraw/zinc/23/32/03/392233203.db2.gz RNXWBNXGKFDJFT-UHFFFAOYSA-N 1 1 278.355 3.452 20 30 CGEDMO C=CC[N@H+](Cc1cccc(O)c1)Cc1cccc(C#N)c1 ZINC000092504510 392233206 /nfs/dbraw/zinc/23/32/06/392233206.db2.gz RNXWBNXGKFDJFT-UHFFFAOYSA-N 1 1 278.355 3.452 20 30 CGEDMO C#CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1nc(C2CC2)no1 ZINC000285078846 392317479 /nfs/dbraw/zinc/31/74/79/392317479.db2.gz KNZTWQPLBZZZDF-XJKSGUPXSA-N 1 1 295.386 3.232 20 30 CGEDMO C=CCN1CCC([NH2+][C@@H](CC)c2ccc(F)cc2O)CC1 ZINC000286089448 392374261 /nfs/dbraw/zinc/37/42/61/392374261.db2.gz MQINWUGRWXBMGH-INIZCTEOSA-N 1 1 292.398 3.222 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000286643671 392385684 /nfs/dbraw/zinc/38/56/84/392385684.db2.gz NCEWJPCHBOHBKF-KRWDZBQOSA-N 1 1 292.423 3.162 20 30 CGEDMO C[C@@H]1SCC[N@H+](Cc2ccc(F)c(C#N)c2)[C@H]1C ZINC000121253936 392410742 /nfs/dbraw/zinc/41/07/42/392410742.db2.gz KWBQYMHORAUQFD-QWRGUYRKSA-N 1 1 264.369 3.023 20 30 CGEDMO C[C@@H]1SCC[N@@H+](Cc2ccc(F)c(C#N)c2)[C@H]1C ZINC000121253936 392410748 /nfs/dbraw/zinc/41/07/48/392410748.db2.gz KWBQYMHORAUQFD-QWRGUYRKSA-N 1 1 264.369 3.023 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000121777004 392415779 /nfs/dbraw/zinc/41/57/79/392415779.db2.gz ZOYZCCHBGBKXGI-IAGOWNOFSA-N 1 1 259.393 3.021 20 30 CGEDMO CCc1nc(C)c([C@H](C)[N@@H+](C)CCCC#N)s1 ZINC000122156012 392419675 /nfs/dbraw/zinc/41/96/75/392419675.db2.gz MSFZEMLJOMUTHS-NSHDSACASA-N 1 1 251.399 3.311 20 30 CGEDMO C=CCOc1cccc(C[NH2+]Cc2ncccc2N(C)C)c1 ZINC000289774944 392431251 /nfs/dbraw/zinc/43/12/51/392431251.db2.gz JYYCRXUTVQYXIH-UHFFFAOYSA-N 1 1 297.402 3.002 20 30 CGEDMO C[C@H]1CCC[N@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000124297710 392433678 /nfs/dbraw/zinc/43/36/78/392433678.db2.gz KFFPMPUUFBWQSX-HNNXBMFYSA-N 1 1 294.402 3.448 20 30 CGEDMO C=CCC[C@@H](CCC)[NH2+][C@@H](C)c1noc(COCC)n1 ZINC000290258695 392444131 /nfs/dbraw/zinc/44/41/31/392444131.db2.gz UZGCXZMVGVLXGK-QWHCGFSZSA-N 1 1 281.400 3.392 20 30 CGEDMO CC(C)[C@H]1C[N@H+]([C@@H](C)c2ccc(C#N)cc2)CCCO1 ZINC000293189344 392521585 /nfs/dbraw/zinc/52/15/85/392521585.db2.gz QDHYRQNLGCKENB-WMLDXEAASA-N 1 1 272.392 3.366 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000153624832 392522411 /nfs/dbraw/zinc/52/24/11/392522411.db2.gz VRBNXBGHJVPPQV-UHFFFAOYSA-N 1 1 291.354 3.071 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000153624832 392522421 /nfs/dbraw/zinc/52/24/21/392522421.db2.gz VRBNXBGHJVPPQV-UHFFFAOYSA-N 1 1 291.354 3.071 20 30 CGEDMO Cc1ccc(C[N@@H+](CCOCCC#N)C2CC2)cc1C ZINC000293274066 392523593 /nfs/dbraw/zinc/52/35/93/392523593.db2.gz YARFANLLKHZKRY-UHFFFAOYSA-N 1 1 272.392 3.198 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)cc1 ZINC000371680074 392544642 /nfs/dbraw/zinc/54/46/42/392544642.db2.gz HINLIMXLGLDQJA-SFHVURJKSA-N 1 1 277.371 3.018 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cc(=O)n2c(C)cccc2n1 ZINC000150887426 392481863 /nfs/dbraw/zinc/48/18/63/392481863.db2.gz MKVPRRUFLLVLHU-UHFFFAOYSA-N 1 1 299.418 3.181 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000155978520 392544985 /nfs/dbraw/zinc/54/49/85/392544985.db2.gz UEXGGQHSDJLMJF-KGLIPLIRSA-N 1 1 263.406 3.049 20 30 CGEDMO Clc1ccc(C#CC[N@H+]2CC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000374410276 392678117 /nfs/dbraw/zinc/67/81/17/392678117.db2.gz GTALLMVMSOSWQV-HOTGVXAUSA-N 1 1 289.806 3.050 20 30 CGEDMO C=CC[N@@H+](CCOCC)Cc1ccc(Cl)s1 ZINC000302833210 392621709 /nfs/dbraw/zinc/62/17/09/392621709.db2.gz LYNAXKNZXRBYJQ-UHFFFAOYSA-N 1 1 259.802 3.426 20 30 CGEDMO C=CC[N@H+](CCOCC)Cc1ccc(Cl)s1 ZINC000302833210 392621715 /nfs/dbraw/zinc/62/17/15/392621715.db2.gz LYNAXKNZXRBYJQ-UHFFFAOYSA-N 1 1 259.802 3.426 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(OCC(F)F)cc1 ZINC000181052186 392716971 /nfs/dbraw/zinc/71/69/71/392716971.db2.gz DJEXDPHVJAXEBO-UHFFFAOYSA-N 1 1 255.308 3.338 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000338175808 392900251 /nfs/dbraw/zinc/90/02/51/392900251.db2.gz CJVVIHTZVZIRFB-QXSJWSMHSA-N 1 1 251.414 3.214 20 30 CGEDMO CCOC(=O)C1CCC([N@@H+](CC)CCC(C)(C)C#N)CC1 ZINC000338379017 392914408 /nfs/dbraw/zinc/91/44/08/392914408.db2.gz YOLGFIMSBAHDPV-UHFFFAOYSA-N 1 1 294.439 3.370 20 30 CGEDMO C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CCOCCC#N ZINC000338879794 392933695 /nfs/dbraw/zinc/93/36/95/392933695.db2.gz HSKCLXDMJNIWCU-ZDUSSCGKSA-N 1 1 272.348 3.356 20 30 CGEDMO COC1(CC[N@@H+](CCC#N)CCC(C)C)CCC1 ZINC000339010927 392941994 /nfs/dbraw/zinc/94/19/94/392941994.db2.gz NFUPNAICIHZYGY-UHFFFAOYSA-N 1 1 252.402 3.207 20 30 CGEDMO C=CCOCC[N@H+]1CCc2cc(OCCC)ccc2C1 ZINC000339044861 392942747 /nfs/dbraw/zinc/94/27/47/392942747.db2.gz YAJLGAZCYOFNET-UHFFFAOYSA-N 1 1 275.392 3.036 20 30 CGEDMO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000339078522 392946030 /nfs/dbraw/zinc/94/60/30/392946030.db2.gz DAJBXPMWTXSQOB-GDAAHCPNSA-N 1 1 297.446 3.179 20 30 CGEDMO CO[C@H]1CC[N@@H+](CCC2(C#N)CCCCC2)[C@H](C)C1 ZINC000411691729 392984335 /nfs/dbraw/zinc/98/43/35/392984335.db2.gz IDQMPZFQGIRXQX-CABCVRRESA-N 1 1 264.413 3.350 20 30 CGEDMO C[C@H]1CC[C@@H]([N@@H+](CCO)CCC2(C#N)CCCCC2)C1 ZINC000411653412 392984917 /nfs/dbraw/zinc/98/49/17/392984917.db2.gz VQNIIFBPXQYHOA-JKSUJKDBSA-N 1 1 278.440 3.333 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000411740529 392986335 /nfs/dbraw/zinc/98/63/35/392986335.db2.gz CCIUJJFZDHKOLR-NZSAHSFTSA-N 1 1 297.446 3.133 20 30 CGEDMO C[C@H](CCC#N)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000411740529 392986337 /nfs/dbraw/zinc/98/63/37/392986337.db2.gz CCIUJJFZDHKOLR-NZSAHSFTSA-N 1 1 297.446 3.133 20 30 CGEDMO C[C@H](CCC#N)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000411740529 392986345 /nfs/dbraw/zinc/98/63/45/392986345.db2.gz CCIUJJFZDHKOLR-NZSAHSFTSA-N 1 1 297.446 3.133 20 30 CGEDMO C[C@H](CCC#N)[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000411740529 392986350 /nfs/dbraw/zinc/98/63/50/392986350.db2.gz CCIUJJFZDHKOLR-NZSAHSFTSA-N 1 1 297.446 3.133 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000411740529 392986355 /nfs/dbraw/zinc/98/63/55/392986355.db2.gz CCIUJJFZDHKOLR-NZSAHSFTSA-N 1 1 297.446 3.133 20 30 CGEDMO CS[C@@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411805839 392988795 /nfs/dbraw/zinc/98/87/95/392988795.db2.gz XZHMSFUSYSZKPT-CYBMUJFWSA-N 1 1 252.427 3.288 20 30 CGEDMO CC#CC[N@@H+](C)CCC(=O)Nc1cccc2ccccc21 ZINC000411773149 392989129 /nfs/dbraw/zinc/98/91/29/392989129.db2.gz SIOTWVMOYLHJEZ-UHFFFAOYSA-N 1 1 280.371 3.124 20 30 CGEDMO CC[C@H](C)[N@@H+](C)CCNc1c(C#N)cnc2ccccc21 ZINC000218086537 392996632 /nfs/dbraw/zinc/99/66/32/392996632.db2.gz PNXWJVMUZAMTPH-ZDUSSCGKSA-N 1 1 282.391 3.249 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H]2C(C)C)cc1OC ZINC000342861091 393009927 /nfs/dbraw/zinc/00/99/27/393009927.db2.gz LJAQNZOJNBINTL-OAHLLOKOSA-N 1 1 275.392 3.490 20 30 CGEDMO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1CC1(C#N)CC1 ZINC000343312982 393025066 /nfs/dbraw/zinc/02/50/66/393025066.db2.gz FSLDULMLHCNTIJ-GDBMZVCRSA-N 1 1 254.377 3.243 20 30 CGEDMO C[C@H](NCC[NH+]1[C@@H](C)CCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000344068585 393038484 /nfs/dbraw/zinc/03/84/84/393038484.db2.gz HAQFLBRAAYFFDE-JYJNAYRXSA-N 1 1 285.435 3.472 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C)CC1CCC(C(F)(F)F)CC1 ZINC000344510673 393044685 /nfs/dbraw/zinc/04/46/85/393044685.db2.gz HOIHBAWPBKHOBB-VOMCLLRMSA-N 1 1 262.319 3.447 20 30 CGEDMO CC/C=C\CC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000466813756 393059344 /nfs/dbraw/zinc/05/93/44/393059344.db2.gz FOQSJGKFZWJIBX-ARJAWSKDSA-N 1 1 283.419 3.427 20 30 CGEDMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)CCC(C)(C)C#N ZINC000345734866 393066993 /nfs/dbraw/zinc/06/69/93/393066993.db2.gz YPAVNVOTUBSNAJ-KBPBESRZSA-N 1 1 266.429 3.452 20 30 CGEDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1cn2ccccc2c1C#N ZINC000466915336 393068553 /nfs/dbraw/zinc/06/85/53/393068553.db2.gz JFIWEKVHIPXHIB-ZFWWWQNUSA-N 1 1 267.376 3.431 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cc2cc(Cl)cnc2o1 ZINC000648504849 393070010 /nfs/dbraw/zinc/07/00/10/393070010.db2.gz FGJIBLUUWPKLRY-UHFFFAOYSA-N 1 1 250.729 3.489 20 30 CGEDMO C[C@H](O)C[N@@H+](Cc1cc(C#N)ccc1F)C1CCCCC1 ZINC000263789656 393153997 /nfs/dbraw/zinc/15/39/97/393153997.db2.gz QBUPYRGTSOYQHQ-ZDUSSCGKSA-N 1 1 290.382 3.213 20 30 CGEDMO CC(C)(C)C1=CC[N@H+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000355204536 393256719 /nfs/dbraw/zinc/25/67/19/393256719.db2.gz ZRPDWLUHJKMFCJ-UHFFFAOYSA-N 1 1 294.402 3.384 20 30 CGEDMO CC(C)(C)C1=CC[N@@H+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000355204536 393256723 /nfs/dbraw/zinc/25/67/23/393256723.db2.gz ZRPDWLUHJKMFCJ-UHFFFAOYSA-N 1 1 294.402 3.384 20 30 CGEDMO C=C(C)C[N@H+](Cc1cc(C#N)n(C)c1)Cc1ccccc1 ZINC000355209320 393258166 /nfs/dbraw/zinc/25/81/66/393258166.db2.gz ARGKIBNFFITEKC-UHFFFAOYSA-N 1 1 279.387 3.475 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)C[C@@H](O)CC1CCCC1 ZINC000355295010 393296844 /nfs/dbraw/zinc/29/68/44/393296844.db2.gz QSNJVCLHVOISKP-INIZCTEOSA-N 1 1 277.408 3.251 20 30 CGEDMO C[N@@H+](CCSc1ncccc1C#N)Cc1ccccc1 ZINC000279105125 393330269 /nfs/dbraw/zinc/33/02/69/393330269.db2.gz ORDQQVZXOBUIFB-UHFFFAOYSA-N 1 1 283.400 3.177 20 30 CGEDMO COc1ccc(C[N@H+]2CC(C)(C)[C@H]2C2CC2)cc1C#N ZINC000356302165 393414893 /nfs/dbraw/zinc/41/48/93/393414893.db2.gz VFRONRRAYAUPFK-MRXNPFEDSA-N 1 1 270.376 3.187 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@@H]1CCCOC1 ZINC000356340949 393423187 /nfs/dbraw/zinc/42/31/87/393423187.db2.gz PJEJPSPRHQJJTB-CYBMUJFWSA-N 1 1 298.308 3.188 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2nc(C#N)cs2)[C@H]2CCCC[C@@H]12 ZINC000356420558 393440495 /nfs/dbraw/zinc/44/04/95/393440495.db2.gz SGAGVKNUBHHREB-WXHSDQCUSA-N 1 1 261.394 3.025 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@@H]1CC[C@@H](C)C1 ZINC000429565172 393482111 /nfs/dbraw/zinc/48/21/11/393482111.db2.gz HBHJVNRADIYNOY-IUODEOHRSA-N 1 1 258.365 3.187 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1cc2n(n1)CCCC2 ZINC000649498634 393456953 /nfs/dbraw/zinc/45/69/53/393456953.db2.gz RNPGKCNEWWINJD-UHFFFAOYSA-N 1 1 295.430 3.450 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)Cc1cc2n(n1)CCCC2 ZINC000649498634 393456956 /nfs/dbraw/zinc/45/69/56/393456956.db2.gz RNPGKCNEWWINJD-UHFFFAOYSA-N 1 1 295.430 3.450 20 30 CGEDMO C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000488316569 393485739 /nfs/dbraw/zinc/48/57/39/393485739.db2.gz GJYVFAZCPNEWAX-MXASKKJJSA-N 1 1 254.377 3.414 20 30 CGEDMO C[C@H]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000429575663 393486452 /nfs/dbraw/zinc/48/64/52/393486452.db2.gz AECDFECQTNPGKI-BBRMVZONSA-N 1 1 285.391 3.007 20 30 CGEDMO CSc1ccc(OCC[N@H+](C)[C@H]2CCC[C@H]2C#N)cc1 ZINC000602978849 542773480 /nfs/dbraw/zinc/77/34/80/542773480.db2.gz XLOQDJUXEZLSJE-BBRMVZONSA-N 1 1 290.432 3.411 20 30 CGEDMO CSc1ccc(OCC[N@@H+](C)[C@H]2CCC[C@H]2C#N)cc1 ZINC000602978849 542773483 /nfs/dbraw/zinc/77/34/83/542773483.db2.gz XLOQDJUXEZLSJE-BBRMVZONSA-N 1 1 290.432 3.411 20 30 CGEDMO CC1=C[C@H](C)C[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000430266072 393552350 /nfs/dbraw/zinc/55/23/50/393552350.db2.gz GGCJQCNVVGJSRS-AWEZNQCLSA-N 1 1 270.376 3.225 20 30 CGEDMO C=C(C)CN(CC)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000666668383 542806270 /nfs/dbraw/zinc/80/62/70/542806270.db2.gz ZZMOKFRJCCPVPH-OAHLLOKOSA-N 1 1 293.455 3.001 20 30 CGEDMO C[N@@H+](Cc1ccccc1C#N)C1CC(OC(C)(C)C)C1 ZINC000421011223 393572546 /nfs/dbraw/zinc/57/25/46/393572546.db2.gz OXJXHMCVCMKSTG-UHFFFAOYSA-N 1 1 272.392 3.336 20 30 CGEDMO CC[C@@H](N[C@H](C[NH3+])C1CCCC1)c1ccc(C#N)cc1 ZINC000423499224 393672280 /nfs/dbraw/zinc/67/22/80/393672280.db2.gz IZKBHECXLHQHOC-IAGOWNOFSA-N 1 1 271.408 3.116 20 30 CGEDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000443340731 393752930 /nfs/dbraw/zinc/75/29/30/393752930.db2.gz BGXYAHBMNULEJE-BFQNTYOBSA-N 1 1 292.810 3.193 20 30 CGEDMO C=CCOc1ccc(CN[C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000666999405 542835149 /nfs/dbraw/zinc/83/51/49/542835149.db2.gz DJROZSQIWXQTEU-INIZCTEOSA-N 1 1 286.419 3.016 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2c(C)nc3sc(C)nn23)C1 ZINC000668494375 543020408 /nfs/dbraw/zinc/02/04/08/543020408.db2.gz YJOKGZUBWBZPEY-CYBMUJFWSA-N 1 1 290.436 3.196 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cc(OC)c(O)c(OC)c2)C1 ZINC000668493465 543020816 /nfs/dbraw/zinc/02/08/16/543020816.db2.gz NYBQAMZDIJNGOS-CYBMUJFWSA-N 1 1 291.391 3.198 20 30 CGEDMO C=CC[C@@H](C)[C@H](C)[NH2+]CCc1ccc2cn[nH]c2c1 ZINC000671301793 543168042 /nfs/dbraw/zinc/16/80/42/543168042.db2.gz PSPDWVLOMDIICP-OLZOCXBDSA-N 1 1 257.381 3.296 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CCC[C@@](C)(c2ccccc2)CC1 ZINC000671704033 543178728 /nfs/dbraw/zinc/17/87/28/543178728.db2.gz JBVFIOKZKWBDBO-QZTJIDSGSA-N 1 1 273.420 3.367 20 30 CGEDMO CC(C)C[C@@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)[NH+](C)C ZINC000537408735 397711702 /nfs/dbraw/zinc/71/17/02/397711702.db2.gz LKIQFMSNBKYHSP-BBRMVZONSA-N 1 1 291.414 3.324 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](c2ccccc2)[C@H](CC)C1 ZINC000677048525 543427911 /nfs/dbraw/zinc/42/79/11/543427911.db2.gz ZZSXHRFVUSDPOX-NXHRZFHOSA-N 1 1 273.420 3.439 20 30 CGEDMO C=C(C)[C@@H](CO)[N@@H+](CC)Cc1cccc(Cl)c1 ZINC000677951733 543474595 /nfs/dbraw/zinc/47/45/95/543474595.db2.gz RPZNYOHOXZJDMC-CQSZACIVSA-N 1 1 253.773 3.099 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000678234232 543498807 /nfs/dbraw/zinc/49/88/07/543498807.db2.gz ATQQIXCYCKHZGC-KRWDZBQOSA-N 1 1 297.402 3.285 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCCOC(C)(C)C1 ZINC000678271758 543507805 /nfs/dbraw/zinc/50/78/05/543507805.db2.gz FBXMLVGDENFZHP-UHFFFAOYSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCCOC(C)(C)C2)c1 ZINC000678271976 543507393 /nfs/dbraw/zinc/50/73/93/543507393.db2.gz WKAHYZNKQBXHKY-UHFFFAOYSA-N 1 1 275.392 3.252 20 30 CGEDMO CC[N@H+]1CCC[C@@H]1CNc1cc(C#N)c2ccccc2n1 ZINC000068769863 165045695 /nfs/dbraw/zinc/04/56/95/165045695.db2.gz GXHTXIZHIIIYGF-CQSZACIVSA-N 1 1 280.375 3.003 20 30 CGEDMO CC[N@@H+](CCOc1ccc(C#N)cc1OC)[C@H](C)C(C)C ZINC000077655305 165123251 /nfs/dbraw/zinc/12/32/51/165123251.db2.gz ZXFSEXBJNLPSIF-CQSZACIVSA-N 1 1 290.407 3.312 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2C)cc1C#N ZINC000087833362 165188936 /nfs/dbraw/zinc/18/89/36/165188936.db2.gz RUXDSQRWWLUTFH-QWHCGFSZSA-N 1 1 258.365 3.187 20 30 CGEDMO CC[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(C#N)c2)C1 ZINC000087833177 165189352 /nfs/dbraw/zinc/18/93/52/165189352.db2.gz YUGKUIUZYPRBHB-CYBMUJFWSA-N 1 1 258.365 3.189 20 30 CGEDMO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000093008193 165322684 /nfs/dbraw/zinc/32/26/84/165322684.db2.gz BWZSPMTUVKHLBV-INIZCTEOSA-N 1 1 282.343 3.497 20 30 CGEDMO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccc(C#N)o1 ZINC000093008193 165322687 /nfs/dbraw/zinc/32/26/87/165322687.db2.gz BWZSPMTUVKHLBV-INIZCTEOSA-N 1 1 282.343 3.497 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCOC3(C2)CCCCCC3)c1 ZINC000119589323 287171513 /nfs/dbraw/zinc/17/15/13/287171513.db2.gz BRIMTOTVBRCLMP-UHFFFAOYSA-N 1 1 284.403 3.483 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCOC3(C2)CCCCCC3)c1 ZINC000119589323 287171515 /nfs/dbraw/zinc/17/15/15/287171515.db2.gz BRIMTOTVBRCLMP-UHFFFAOYSA-N 1 1 284.403 3.483 20 30 CGEDMO CC[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000034674116 171859347 /nfs/dbraw/zinc/85/93/47/171859347.db2.gz DHTCHLICZMRSGS-QGZVFWFLSA-N 1 1 272.392 3.246 20 30 CGEDMO CSCC[C@H](C)[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000127408446 287287164 /nfs/dbraw/zinc/28/71/64/287287164.db2.gz VMBMTWURMHJACZ-AWEZNQCLSA-N 1 1 292.448 3.401 20 30 CGEDMO N#Cc1ccc(CN2CCC[N@H+]([C@H]3C=CCCC3)CC2)cc1 ZINC000066491861 175760823 /nfs/dbraw/zinc/76/08/23/175760823.db2.gz IMQXGFXKUQSIHN-IBGZPJMESA-N 1 1 295.430 3.175 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000078759280 177383291 /nfs/dbraw/zinc/38/32/91/177383291.db2.gz ILZCUANFEPJRBW-INIZCTEOSA-N 1 1 292.467 3.335 20 30 CGEDMO Cc1cc(C#N)cc(N[C@H](C)C[N@@H+](C)Cc2ccccc2)n1 ZINC000309832728 416530577 /nfs/dbraw/zinc/53/05/77/416530577.db2.gz SQUXQHPEVJXVGP-OAHLLOKOSA-N 1 1 294.402 3.194 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1cn2cc(Br)ccc2n1 ZINC000679219106 543600588 /nfs/dbraw/zinc/60/05/88/543600588.db2.gz OIUJTQKEFJCQIY-UHFFFAOYSA-N 1 1 294.196 3.105 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cn2cc(Br)ccc2n1 ZINC000679219106 543600591 /nfs/dbraw/zinc/60/05/91/543600591.db2.gz OIUJTQKEFJCQIY-UHFFFAOYSA-N 1 1 294.196 3.105 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)cc1 ZINC000679357743 543627897 /nfs/dbraw/zinc/62/78/97/543627897.db2.gz FISXUXHXIKEIRS-BBRMVZONSA-N 1 1 263.356 3.431 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CC[C@@H](C)C2(CCCCC2)C1 ZINC000680901558 543745341 /nfs/dbraw/zinc/74/53/41/543745341.db2.gz HZWIKXORNFEXEX-HUUCEWRRSA-N 1 1 251.414 3.216 20 30 CGEDMO COCC#CC[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000680418996 543710100 /nfs/dbraw/zinc/71/01/00/543710100.db2.gz PHOWQYDLTOODBN-CYBMUJFWSA-N 1 1 286.400 3.111 20 30 CGEDMO CC[C@@H](C[N@@H+](CC)CC#CCOC)c1ccccc1 ZINC000681481332 543789999 /nfs/dbraw/zinc/78/99/99/543789999.db2.gz MZEGGIWAYURWIU-INIZCTEOSA-N 1 1 259.393 3.152 20 30 CGEDMO CC(C)C[N@@H+]1CCCC[C@@H]1CNCc1ccc(C#N)s1 ZINC000130874284 287365451 /nfs/dbraw/zinc/36/54/51/287365451.db2.gz UWCHSTBMBITXTE-CQSZACIVSA-N 1 1 291.464 3.220 20 30 CGEDMO CC(C)C[N@H+]1CCCC[C@@H]1CNCc1ccc(C#N)s1 ZINC000130874284 287365455 /nfs/dbraw/zinc/36/54/55/287365455.db2.gz UWCHSTBMBITXTE-CQSZACIVSA-N 1 1 291.464 3.220 20 30 CGEDMO C=CCC[N@H+](C)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000682435108 543844975 /nfs/dbraw/zinc/84/49/75/543844975.db2.gz KSHYWJCTGYPZHB-UHFFFAOYSA-N 1 1 260.312 3.489 20 30 CGEDMO COCC[C@@H]1CCCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000347186088 226073042 /nfs/dbraw/zinc/07/30/42/226073042.db2.gz CREMUOOKVZVNSU-AWEZNQCLSA-N 1 1 252.402 3.065 20 30 CGEDMO COC[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(C)o1 ZINC000347636549 226207036 /nfs/dbraw/zinc/20/70/36/226207036.db2.gz MJUDVRQXOOHGEY-INIZCTEOSA-N 1 1 284.359 3.131 20 30 CGEDMO C[C@H]1[N@@H+](Cc2ccc(CC#N)cc2)CCC12CCOCC2 ZINC000336531406 227095720 /nfs/dbraw/zinc/09/57/20/227095720.db2.gz OEKZGPWVFVAMGN-OAHLLOKOSA-N 1 1 284.403 3.144 20 30 CGEDMO C=CCCn1cc(C[N@H+]2CCC[C@@]3(CC=CCC3)C2)nn1 ZINC000653556913 419048512 /nfs/dbraw/zinc/04/85/12/419048512.db2.gz PLCRNOHBSOWADE-KRWDZBQOSA-N 1 1 286.423 3.177 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O ZINC000659821714 419000031 /nfs/dbraw/zinc/00/00/31/419000031.db2.gz FCHFDHGUZMSEIV-FGTMMUONSA-N 1 1 298.430 3.122 20 30 CGEDMO C=CC[N@@H+](CC[C@H]1Sc2ccccc2NC1=O)C1CC1 ZINC000660169418 419093357 /nfs/dbraw/zinc/09/33/57/419093357.db2.gz HVVPALRSJOCQLW-OAHLLOKOSA-N 1 1 288.416 3.140 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cc(C(C)C)ccc1OC ZINC000653638408 419063689 /nfs/dbraw/zinc/06/36/89/419063689.db2.gz WYEKXVKXZYYWKR-UHFFFAOYSA-N 1 1 277.408 3.453 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)C[C@@H](OC)[C@H]1CCOC1 ZINC000660446977 419145876 /nfs/dbraw/zinc/14/58/76/419145876.db2.gz VSMXDDNKAODRSY-ZWKOTPCHSA-N 1 1 289.419 3.116 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000660624794 419171413 /nfs/dbraw/zinc/17/14/13/419171413.db2.gz AKPZBFMGRYWTJS-SFHVURJKSA-N 1 1 276.383 3.313 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1OC1CC1)[C@H](C)COC ZINC000661239629 419243703 /nfs/dbraw/zinc/24/37/03/419243703.db2.gz HVCNXHGSYUVGKD-CQSZACIVSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CC[N@@H+](CC#Cc1ccc(Cl)cc1)[C@H](C)COC ZINC000661244505 419244075 /nfs/dbraw/zinc/24/40/75/419244075.db2.gz VLUFEYWJAGZUFB-CQSZACIVSA-N 1 1 277.795 3.214 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2nc3ccccc3c(=O)[nH]2)C1 ZINC000661380940 419255134 /nfs/dbraw/zinc/25/51/34/419255134.db2.gz RLPVOUUCMOJIEJ-ZDUSSCGKSA-N 1 1 283.375 3.124 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2nc3ccccc3c(=O)[nH]2)C1 ZINC000661380940 419255137 /nfs/dbraw/zinc/25/51/37/419255137.db2.gz RLPVOUUCMOJIEJ-ZDUSSCGKSA-N 1 1 283.375 3.124 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2nc(-c3ccoc3)no2)C1 ZINC000661381039 419255317 /nfs/dbraw/zinc/25/53/17/419255317.db2.gz UDZXDDOUOVTRFL-GFCCVEGCSA-N 1 1 273.336 3.118 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2nccn2C(F)F)C1 ZINC000661378964 419255385 /nfs/dbraw/zinc/25/53/85/419255385.db2.gz PPPJRUWONAUZFE-LLVKDONJSA-N 1 1 255.312 3.066 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2nccn2C(F)F)C1 ZINC000661378964 419255387 /nfs/dbraw/zinc/25/53/87/419255387.db2.gz PPPJRUWONAUZFE-LLVKDONJSA-N 1 1 255.312 3.066 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2csc(CC)n2)C1 ZINC000661378711 419255689 /nfs/dbraw/zinc/25/56/89/419255689.db2.gz KWCLKCDKRZZUEV-LBPRGKRZSA-N 1 1 250.411 3.494 20 30 CGEDMO C=CCCCCCN(C)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000661396598 419256604 /nfs/dbraw/zinc/25/66/04/419256604.db2.gz BHSXDGCFDHIYJW-HNNXBMFYSA-N 1 1 295.471 3.247 20 30 CGEDMO C[C@H](CO)[C@H]1CCCC[N@H+]1CC#Cc1ccccc1Cl ZINC000661441907 419261343 /nfs/dbraw/zinc/26/13/43/419261343.db2.gz IIOVEZQGHGLVMI-RHSMWYFYSA-N 1 1 291.822 3.174 20 30 CGEDMO C[C@@]12COC[C@]1(C)C[N@H+](CC#Cc1ccc(Cl)cc1)C2 ZINC000661495444 419266238 /nfs/dbraw/zinc/26/62/38/419266238.db2.gz RIXQGPJDXUXJMW-CALCHBBNSA-N 1 1 289.806 3.050 20 30 CGEDMO CC(=O)c1ccc2c(c1)C[N@@H+](CCc1ccc(C#N)cc1)C2 ZINC000660801067 419199168 /nfs/dbraw/zinc/19/91/68/419199168.db2.gz NABFWWCABMJENO-UHFFFAOYSA-N 1 1 290.366 3.319 20 30 CGEDMO CC(=O)c1ccc2c(c1)C[N@H+](CCc1ccc(C#N)cc1)C2 ZINC000660801067 419199170 /nfs/dbraw/zinc/19/91/70/419199170.db2.gz NABFWWCABMJENO-UHFFFAOYSA-N 1 1 290.366 3.319 20 30 CGEDMO C=CCCCCCN(C)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000661506768 419267564 /nfs/dbraw/zinc/26/75/64/419267564.db2.gz PBLZDZBFIHWRDH-HNNXBMFYSA-N 1 1 295.471 3.247 20 30 CGEDMO FCC[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000661691083 419285933 /nfs/dbraw/zinc/28/59/33/419285933.db2.gz SDJJYAPRBVCPHG-HNNXBMFYSA-N 1 1 263.331 3.249 20 30 CGEDMO C=CCn1cc(C[NH2+]Cc2cccc(C3CCCC3)c2)nn1 ZINC000657494657 419293367 /nfs/dbraw/zinc/29/33/67/419293367.db2.gz DQYVYTVOOFHDGX-UHFFFAOYSA-N 1 1 296.418 3.412 20 30 CGEDMO C=CC[N@H+](CCCOCC(F)(F)F)C(C)(C)C ZINC000661754938 419294663 /nfs/dbraw/zinc/29/46/63/419294663.db2.gz HSCHEHUMSZYRKG-UHFFFAOYSA-N 1 1 253.308 3.242 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N1c2ccccc2C[C@H]1C ZINC000662077609 419332845 /nfs/dbraw/zinc/33/28/45/419332845.db2.gz CYFHYHOZAMUXQV-OIISXLGYSA-N 1 1 296.414 3.147 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(CCCC)no1 ZINC000662079805 419333939 /nfs/dbraw/zinc/33/39/39/419333939.db2.gz NIHWQDAGOYNCOI-BETUJISGSA-N 1 1 261.369 3.095 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(CCCC)no1 ZINC000662079805 419333942 /nfs/dbraw/zinc/33/39/42/419333942.db2.gz NIHWQDAGOYNCOI-BETUJISGSA-N 1 1 261.369 3.095 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOCCOc1ccccc1 ZINC000662079229 419333955 /nfs/dbraw/zinc/33/39/55/419333955.db2.gz IUQLLCVQGQTWEO-CALCHBBNSA-N 1 1 287.403 3.265 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOCc1ccccc1 ZINC000662088400 419334761 /nfs/dbraw/zinc/33/47/61/419334761.db2.gz DMRIJZXKGPLSKM-CALCHBBNSA-N 1 1 257.377 3.386 20 30 CGEDMO COCC[N@@H+](Cc1ccccc1C(C)(C)C#N)C1CC1 ZINC000352019142 228174601 /nfs/dbraw/zinc/17/46/01/228174601.db2.gz DDJHGBXQFYGUKK-UHFFFAOYSA-N 1 1 272.392 3.099 20 30 CGEDMO C=CCCCC[N@@H+]1C[C@@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000662241637 419370406 /nfs/dbraw/zinc/37/04/06/419370406.db2.gz UWOCAQCOEBKPFR-NEPJUHHUSA-N 1 1 265.319 3.384 20 30 CGEDMO N#CCC[N@@H+](CCCOc1ccccc1)CC1CC1 ZINC000081044858 260329813 /nfs/dbraw/zinc/32/98/13/260329813.db2.gz CFHRETIVPUMQEW-UHFFFAOYSA-N 1 1 258.365 3.081 20 30 CGEDMO CC(C)(CCC#N)C[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000092595081 260496999 /nfs/dbraw/zinc/49/69/99/260496999.db2.gz DQOCAHWUKCOFFE-CYBMUJFWSA-N 1 1 278.421 3.451 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000092595081 260497001 /nfs/dbraw/zinc/49/70/01/260497001.db2.gz DQOCAHWUKCOFFE-CYBMUJFWSA-N 1 1 278.421 3.451 20 30 CGEDMO N#CCC[N@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000128720865 260822668 /nfs/dbraw/zinc/82/26/68/260822668.db2.gz GPGSMQYGOQHFKA-ZDUSSCGKSA-N 1 1 278.783 3.344 20 30 CGEDMO N#CCC[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000128720865 260822669 /nfs/dbraw/zinc/82/26/69/260822669.db2.gz GPGSMQYGOQHFKA-ZDUSSCGKSA-N 1 1 278.783 3.344 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](CC)C[C@@H](C)OC)c1 ZINC000361015438 261148429 /nfs/dbraw/zinc/14/84/29/261148429.db2.gz BJSZASRZNQMHNJ-CQSZACIVSA-N 1 1 263.381 3.108 20 30 CGEDMO CN1CCCC[C@@H]1CC[N@H+](C)CCCC(C)(C)C#N ZINC000174877317 261201350 /nfs/dbraw/zinc/20/13/50/261201350.db2.gz GJWWRPQRCHAJES-OAHLLOKOSA-N 1 1 265.445 3.123 20 30 CGEDMO CN1CCCC[C@@H]1CC[N@@H+](C)CCCC(C)(C)C#N ZINC000174877317 261201352 /nfs/dbraw/zinc/20/13/52/261201352.db2.gz GJWWRPQRCHAJES-OAHLLOKOSA-N 1 1 265.445 3.123 20 30 CGEDMO C=C[C@H](C)[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000336678599 261365545 /nfs/dbraw/zinc/36/55/45/261365545.db2.gz AFHHOQJYFUNSKO-NKWVEPMBSA-N 1 1 250.289 3.387 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1c(C2CC2)nc2sccn12 ZINC000184088588 262008262 /nfs/dbraw/zinc/00/82/62/262008262.db2.gz AJAOIZGHQKHGRF-NSHDSACASA-N 1 1 274.393 3.055 20 30 CGEDMO N#CCCCC[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000186062185 262077321 /nfs/dbraw/zinc/07/73/21/262077321.db2.gz OBOKXXFNXOJTGB-KRWDZBQOSA-N 1 1 272.392 3.014 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000191497724 262192722 /nfs/dbraw/zinc/19/27/22/262192722.db2.gz KOACVKOUJUOAIV-HNNXBMFYSA-N 1 1 258.365 3.257 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)NCCC1=CCCCC1 ZINC000216461221 262592208 /nfs/dbraw/zinc/59/22/08/262592208.db2.gz GNUONTPSHZTEMN-HNNXBMFYSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCC[N@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000276144696 263034963 /nfs/dbraw/zinc/03/49/63/263034963.db2.gz OAQSARIQDVBXBM-UHFFFAOYSA-N 1 1 294.402 3.472 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000278753163 263050631 /nfs/dbraw/zinc/05/06/31/263050631.db2.gz XIIIXKWYIQLSJK-DGCLKSJQSA-N 1 1 260.768 3.390 20 30 CGEDMO CC1=C(Br)C[N@@H+](CCCCC#N)CC1 ZINC000281314136 263067949 /nfs/dbraw/zinc/06/79/49/263067949.db2.gz XRKAWZZPTKCWJH-UHFFFAOYSA-N 1 1 257.175 3.055 20 30 CGEDMO C=CCC[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1ccco1 ZINC000353454183 263070591 /nfs/dbraw/zinc/07/05/91/263070591.db2.gz IGAQNVYOBROIIL-CABCVRRESA-N 1 1 262.397 3.217 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000285822759 263095927 /nfs/dbraw/zinc/09/59/27/263095927.db2.gz GUOAMRRODQWRFP-OWCLPIDISA-N 1 1 277.795 3.243 20 30 CGEDMO C[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)C[C@H](C)[N@@H+]1C ZINC000293377889 263139692 /nfs/dbraw/zinc/13/96/92/263139692.db2.gz JPMPMJHLFBQDBB-GASCZTMLSA-N 1 1 285.435 3.012 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@H](C)N1C ZINC000293377889 263139693 /nfs/dbraw/zinc/13/96/93/263139693.db2.gz JPMPMJHLFBQDBB-GASCZTMLSA-N 1 1 285.435 3.012 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)C[C@H](C)N1C ZINC000293377889 263139695 /nfs/dbraw/zinc/13/96/95/263139695.db2.gz JPMPMJHLFBQDBB-GASCZTMLSA-N 1 1 285.435 3.012 20 30 CGEDMO CC[N@@H+](CCOCCC#N)Cc1ccc(Cl)cc1 ZINC000293470872 263141560 /nfs/dbraw/zinc/14/15/60/263141560.db2.gz LUGSAJGBRQOBLN-UHFFFAOYSA-N 1 1 266.772 3.092 20 30 CGEDMO Cc1cc(C)c2c(c1)C[N@@H+]([C@H]1CC[C@@H](C#N)C1)CC2 ZINC000294574554 263163980 /nfs/dbraw/zinc/16/39/80/263163980.db2.gz MGXDOTDTFRGQKI-ZBFHGGJFSA-N 1 1 254.377 3.354 20 30 CGEDMO C=CCC(C)(C)c1noc(C[NH+]2[C@@H](C)CC[C@@H]2C)n1 ZINC000340829504 263308458 /nfs/dbraw/zinc/30/84/58/263308458.db2.gz YNPDAYPTZOBDKY-RYUDHWBXSA-N 1 1 263.385 3.296 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000340893504 263312565 /nfs/dbraw/zinc/31/25/65/263312565.db2.gz KXVQCDSHWSKCQS-VXGBXAGGSA-N 1 1 265.319 3.120 20 30 CGEDMO CC[N@H+](CC1(C#N)CC1)[C@H](C)c1cccc(OC)c1 ZINC000343146026 263594189 /nfs/dbraw/zinc/59/41/89/263594189.db2.gz XXADQUGIZPJOPP-CYBMUJFWSA-N 1 1 258.365 3.382 20 30 CGEDMO CC[N@@H+](CC1(C#N)CC1)[C@H](C)c1cccc(OC)c1 ZINC000343146026 263594190 /nfs/dbraw/zinc/59/41/90/263594190.db2.gz XXADQUGIZPJOPP-CYBMUJFWSA-N 1 1 258.365 3.382 20 30 CGEDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCC[C@H]1C#N ZINC000330822926 264047661 /nfs/dbraw/zinc/04/76/61/264047661.db2.gz HRDYFZRIMPDQQI-HUBLWGQQSA-N 1 1 273.336 3.246 20 30 CGEDMO CC(C)[N@@H+](C)CCNC(=O)Nc1ncc(C(C)(C)C)s1 ZINC000331233653 264173708 /nfs/dbraw/zinc/17/37/08/264173708.db2.gz FWUAVNZNRFNDBY-UHFFFAOYSA-N 1 1 298.456 3.107 20 30 CGEDMO C#CCOc1ccc([C@H](C)[NH2+]Cc2nc(C)cs2)cc1 ZINC000126223022 264209737 /nfs/dbraw/zinc/20/97/37/264209737.db2.gz KFUUXXDKRIBIGE-ZDUSSCGKSA-N 1 1 286.400 3.314 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)[C@H]1CCN(C(C)(C)C)C1=O ZINC000425388299 264221909 /nfs/dbraw/zinc/22/19/09/264221909.db2.gz SCUFWOFITJUAMB-AWEZNQCLSA-N 1 1 292.448 3.136 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)[C@H]1CCN(C(C)(C)C)C1=O ZINC000425388299 264221910 /nfs/dbraw/zinc/22/19/10/264221910.db2.gz SCUFWOFITJUAMB-AWEZNQCLSA-N 1 1 292.448 3.136 20 30 CGEDMO C=CCSc1ccccc1NC(=O)C[N@H+](C)C1CCC1 ZINC000072722405 264270638 /nfs/dbraw/zinc/27/06/38/264270638.db2.gz RRIANCPOIMDNGJ-UHFFFAOYSA-N 1 1 290.432 3.388 20 30 CGEDMO Cc1ccc(C[N@@H+](C)CCOc2ccccc2C#N)cc1 ZINC000034674356 270027574 /nfs/dbraw/zinc/02/75/74/270027574.db2.gz YGTBUUQLDGDTEU-UHFFFAOYSA-N 1 1 280.371 3.378 20 30 CGEDMO N#CCCC[C@@H]([NH3+])c1nc(-c2ccc(Cl)cc2)no1 ZINC000519139640 265330098 /nfs/dbraw/zinc/33/00/98/265330098.db2.gz BWIMOCZIFJNIIK-LLVKDONJSA-N 1 1 276.727 3.084 20 30 CGEDMO C=CCCC1(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000356487788 266124238 /nfs/dbraw/zinc/12/42/38/266124238.db2.gz YOOBCQAKGVQWCE-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO CC(C)[N@@H+](C)CC1CCN(c2cccc(F)c2C#N)CC1 ZINC000523746211 270110851 /nfs/dbraw/zinc/11/08/51/270110851.db2.gz MRXNADCTEKUIJR-UHFFFAOYSA-N 1 1 289.398 3.254 20 30 CGEDMO C=CC[N@@H+](CCC(=O)OC(C)C)Cc1ccccc1F ZINC000357672565 266343970 /nfs/dbraw/zinc/34/39/70/266343970.db2.gz CJQHPKLDGIESAY-UHFFFAOYSA-N 1 1 279.355 3.155 20 30 CGEDMO C=CC[N@H+](CCC(=O)OC(C)C)Cc1ccccc1F ZINC000357672565 266343972 /nfs/dbraw/zinc/34/39/72/266343972.db2.gz CJQHPKLDGIESAY-UHFFFAOYSA-N 1 1 279.355 3.155 20 30 CGEDMO COC[C@@H]1CCC[N@H+]1Cc1c(C#N)ccc2ccccc21 ZINC000527532992 270128662 /nfs/dbraw/zinc/12/86/62/270128662.db2.gz GEBORTJOOBHFGA-INIZCTEOSA-N 1 1 280.371 3.322 20 30 CGEDMO C[C@@H]1CCC[C@H](C)C[N@@H+]1CCC(=O)Nc1ccccc1C#N ZINC000125183132 267017690 /nfs/dbraw/zinc/01/76/90/267017690.db2.gz XZYMMBYJMWFUQK-LSDHHAIUSA-N 1 1 299.418 3.397 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)Cc1ccc(OC)nc1 ZINC000362845104 267053923 /nfs/dbraw/zinc/05/39/23/267053923.db2.gz ZTZOQWLIRLXISX-UHFFFAOYSA-N 1 1 274.389 3.340 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc(OC)nc1 ZINC000362845104 267053925 /nfs/dbraw/zinc/05/39/25/267053925.db2.gz ZTZOQWLIRLXISX-UHFFFAOYSA-N 1 1 274.389 3.340 20 30 CGEDMO C#C[C@H](NC1CC[NH+](C2CCCCC2)CC1)C(C)C ZINC000368043060 267141032 /nfs/dbraw/zinc/14/10/32/267141032.db2.gz OSZWWYJALHNSIC-KRWDZBQOSA-N 1 1 262.441 3.031 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000368438246 267172863 /nfs/dbraw/zinc/17/28/63/267172863.db2.gz KCROWEQFGCJHCP-AWEZNQCLSA-N 1 1 274.412 3.309 20 30 CGEDMO CC(C)(C#N)CCCC[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000368438246 267172865 /nfs/dbraw/zinc/17/28/65/267172865.db2.gz KCROWEQFGCJHCP-AWEZNQCLSA-N 1 1 274.412 3.309 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000368438246 267172867 /nfs/dbraw/zinc/17/28/67/267172867.db2.gz KCROWEQFGCJHCP-AWEZNQCLSA-N 1 1 274.412 3.309 20 30 CGEDMO N#CC1(C[NH2+]Cc2cc3ccc(F)cc3[nH]2)CCC1 ZINC000418145626 267366222 /nfs/dbraw/zinc/36/62/22/267366222.db2.gz YMYULRDVZMRDBK-UHFFFAOYSA-N 1 1 257.312 3.090 20 30 CGEDMO Cc1cc(C[N@@H+]2CCC(F)(F)C[C@@H]2C)ccc1C#N ZINC000528774998 270172908 /nfs/dbraw/zinc/17/29/08/270172908.db2.gz WQCOKSVLZYNFHX-LBPRGKRZSA-N 1 1 264.319 3.486 20 30 CGEDMO N#Cc1cc(Cl)ccc1Cn1cc[nH+]c1C1CC1 ZINC000530129297 268181445 /nfs/dbraw/zinc/18/14/45/268181445.db2.gz KHCRPMKTUNFEMO-UHFFFAOYSA-N 1 1 257.724 3.334 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2Cc3ccccc3C3(CC3)C2)nc1 ZINC000521894606 268224867 /nfs/dbraw/zinc/22/48/67/268224867.db2.gz URMYGTWQGKGCRA-UHFFFAOYSA-N 1 1 275.355 3.001 20 30 CGEDMO N#Cc1ccc(C[N@H+]2Cc3ccccc3C3(CC3)C2)nc1 ZINC000521894606 268224868 /nfs/dbraw/zinc/22/48/68/268224868.db2.gz URMYGTWQGKGCRA-UHFFFAOYSA-N 1 1 275.355 3.001 20 30 CGEDMO C[C@@H](CCC#N)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000351222107 274208158 /nfs/dbraw/zinc/20/81/58/274208158.db2.gz GLNGLRRALQAKOF-IVEQORNPSA-N 1 1 283.419 3.010 20 30 CGEDMO C[C@@H](CN[C@H]1CCc2ccc(C#N)cc21)[NH+]1CCC(C)CC1 ZINC000353385946 274226167 /nfs/dbraw/zinc/22/61/67/274226167.db2.gz MZCAOOOPQNLDOJ-KXBFYZLASA-N 1 1 297.446 3.256 20 30 CGEDMO CCC[N@H+](Cc1cc(C#N)cs1)C[C@@H]1CCCCO1 ZINC000093132506 276255624 /nfs/dbraw/zinc/25/56/24/276255624.db2.gz UEVLKIRFNBOQBY-AWEZNQCLSA-N 1 1 278.421 3.401 20 30 CGEDMO C[N@H+]1CCC[C@]2(CCN(c3c(Cl)cccc3C#N)C2)C1 ZINC000292896613 277087121 /nfs/dbraw/zinc/08/71/21/277087121.db2.gz WKCHRPYQDCBNHM-INIZCTEOSA-N 1 1 289.810 3.134 20 30 CGEDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000336572881 280095005 /nfs/dbraw/zinc/09/50/05/280095005.db2.gz DXUJIWTWZFUOIK-CABZTGNLSA-N 1 1 286.272 3.470 20 30 CGEDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC000336572881 280095008 /nfs/dbraw/zinc/09/50/08/280095008.db2.gz DXUJIWTWZFUOIK-CABZTGNLSA-N 1 1 286.272 3.470 20 30 CGEDMO CC1(C)CC[N@H+](CCC2(C#N)CCCCC2)CC[S@@]1=O ZINC000334637546 281088611 /nfs/dbraw/zinc/08/86/11/281088611.db2.gz PYBFDMJMXJXDJS-HXUWFJFHSA-N 1 1 296.480 3.084 20 30 CGEDMO CC1(C)CC[N@@H+](CCC2(C#N)CCCCC2)CC[S@@]1=O ZINC000334637546 281088614 /nfs/dbraw/zinc/08/86/14/281088614.db2.gz PYBFDMJMXJXDJS-HXUWFJFHSA-N 1 1 296.480 3.084 20 30 CGEDMO CC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccn(C)n1 ZINC000543602786 288812205 /nfs/dbraw/zinc/81/22/05/288812205.db2.gz LLVCMPIOZTXOBJ-SWLSCSKDSA-N 1 1 268.364 3.094 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292926769 290245674 /nfs/dbraw/zinc/24/56/74/290245674.db2.gz IQZFEWCVGDUSDO-QAPCUYQASA-N 1 1 283.419 3.037 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000292926769 290245675 /nfs/dbraw/zinc/24/56/75/290245675.db2.gz IQZFEWCVGDUSDO-QAPCUYQASA-N 1 1 283.419 3.037 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000292926769 290245677 /nfs/dbraw/zinc/24/56/77/290245677.db2.gz IQZFEWCVGDUSDO-QAPCUYQASA-N 1 1 283.419 3.037 20 30 CGEDMO C=C[C@@H](CC(=O)Nc1cc(C)[nH+]cc1C)c1ccccc1 ZINC000534299490 328043958 /nfs/dbraw/zinc/04/39/58/328043958.db2.gz DYSVEFWJMHBBIX-HNNXBMFYSA-N 1 1 280.371 3.419 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc(F)c(C(F)(F)F)c2)CC1 ZINC000571143442 328087742 /nfs/dbraw/zinc/08/77/42/328087742.db2.gz WJMYHQODEOOTEW-UHFFFAOYSA-N 1 1 272.245 3.238 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000412053632 328101514 /nfs/dbraw/zinc/10/15/14/328101514.db2.gz FTXHHCAVSLGBMM-INIZCTEOSA-N 1 1 278.440 3.210 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412056933 328101755 /nfs/dbraw/zinc/10/17/55/328101755.db2.gz PUYZEZXUMPOXLI-JKSUJKDBSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@](C)(C(=O)OC)C1 ZINC000412082731 328102914 /nfs/dbraw/zinc/10/29/14/328102914.db2.gz XTNAZLUNGBSZBY-ZFWWWQNUSA-N 1 1 253.386 3.006 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)C[C@H]1CCCCO1 ZINC000173550169 329149162 /nfs/dbraw/zinc/14/91/62/329149162.db2.gz YGGPRLDKPLVYJH-OAHLLOKOSA-N 1 1 252.402 3.207 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000273888223 328207296 /nfs/dbraw/zinc/20/72/96/328207296.db2.gz SOWVRLLHCGBBOJ-HNNXBMFYSA-N 1 1 288.391 3.424 20 30 CGEDMO CNC(=O)CC[C@H]1CCCC[N@H+]1CCCCC(C)(C)C#N ZINC000353184440 328214667 /nfs/dbraw/zinc/21/46/67/328214667.db2.gz QZZVECZQMWRYIA-OAHLLOKOSA-N 1 1 293.455 3.087 20 30 CGEDMO C[N@H+](Cc1nc2c(s1)CCCC2)[C@H]1CC[C@@H](C#N)C1 ZINC000278516877 328226214 /nfs/dbraw/zinc/22/62/14/328226214.db2.gz CBQVPGNKXRMLRC-NEPJUHHUSA-N 1 1 275.421 3.146 20 30 CGEDMO C[N@@H+](Cc1nc2c(s1)CCCC2)[C@H]1CC[C@@H](C#N)C1 ZINC000278516877 328226215 /nfs/dbraw/zinc/22/62/15/328226215.db2.gz CBQVPGNKXRMLRC-NEPJUHHUSA-N 1 1 275.421 3.146 20 30 CGEDMO C=C(C)CC[N@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000582917776 329288640 /nfs/dbraw/zinc/28/86/40/329288640.db2.gz IANZLUXKVYKZTG-GFCCVEGCSA-N 1 1 265.319 3.384 20 30 CGEDMO CCCC[N@@H+](C)C[C@H](C)Nc1cc(C#N)c2ccccc2n1 ZINC000564067563 322019397 /nfs/dbraw/zinc/01/93/97/322019397.db2.gz OTLZACCAZHUEMC-AWEZNQCLSA-N 1 1 296.418 3.061 20 30 CGEDMO CC[N@@H+](C)C[C@@H]1CCN(c2cccc(C(F)F)c2C#N)C1 ZINC000564468953 322032004 /nfs/dbraw/zinc/03/20/04/322032004.db2.gz MBUAZZLIMDIOSD-LBPRGKRZSA-N 1 1 293.361 3.274 20 30 CGEDMO C[C@H](C[NH+]1CCC(C)CC1)N[C@H](C)c1cccc(C#N)c1 ZINC000565243687 322069638 /nfs/dbraw/zinc/06/96/38/322069638.db2.gz DUXXPVNMCRGJOQ-HZPDHXFCSA-N 1 1 285.435 3.329 20 30 CGEDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000566414116 322121132 /nfs/dbraw/zinc/12/11/32/322121132.db2.gz MGOYRYCKKOMFOH-BBRMVZONSA-N 1 1 257.381 3.354 20 30 CGEDMO CCC(CC)[N@@H+](CC)Cc1cnc2ccc(C#N)cn12 ZINC000566671425 322133738 /nfs/dbraw/zinc/13/37/38/322133738.db2.gz RCJCVFXBCAAHDQ-UHFFFAOYSA-N 1 1 270.380 3.216 20 30 CGEDMO COc1ccc(CCC[N@@H+](C)Cc2ccc(C#N)cn2)cc1 ZINC000569062600 322233096 /nfs/dbraw/zinc/23/30/96/322233096.db2.gz UEXCMUBNLUQOJF-UHFFFAOYSA-N 1 1 295.386 3.026 20 30 CGEDMO C[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000569226636 322239974 /nfs/dbraw/zinc/23/99/74/322239974.db2.gz OHPOXIZAXLPVOK-RYUDHWBXSA-N 1 1 273.336 3.087 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@H](c3ccncc3)C2)c1F ZINC000571817474 322308505 /nfs/dbraw/zinc/30/85/05/322308505.db2.gz KBGPZVHSCGNEPA-HNNXBMFYSA-N 1 1 281.334 3.082 20 30 CGEDMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1ccc(C#N)cn1 ZINC000572375170 322333999 /nfs/dbraw/zinc/33/39/99/322333999.db2.gz JJVRZJZEFSLZIQ-YOEHRIQHSA-N 1 1 277.371 3.331 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000573375991 322384893 /nfs/dbraw/zinc/38/48/93/322384893.db2.gz DQAMYAIJZWLLLY-UHFFFAOYSA-N 1 1 273.336 3.087 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000568602421 327004656 /nfs/dbraw/zinc/00/46/56/327004656.db2.gz ZQVDNDDJOHHZBA-UONOGXRCSA-N 1 1 280.412 3.122 20 30 CGEDMO CCc1ccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)o1 ZINC000558622367 327109278 /nfs/dbraw/zinc/10/92/78/327109278.db2.gz BVXQNFVZOAVPQW-UHFFFAOYSA-N 1 1 295.386 3.294 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000076149878 327129122 /nfs/dbraw/zinc/12/91/22/327129122.db2.gz WOLFZTPSIRDLHE-CVEARBPZSA-N 1 1 299.418 3.054 20 30 CGEDMO C[C@H]1C[N@@H+](CCCCC#N)C[C@H](c2ccccc2)O1 ZINC000102398086 327226912 /nfs/dbraw/zinc/22/69/12/327226912.db2.gz CVSKIRNVJNEIPQ-GOEBONIOSA-N 1 1 258.365 3.142 20 30 CGEDMO CC#CC[N@@H+](C)CCCc1ccccc1Br ZINC000555761575 327249698 /nfs/dbraw/zinc/24/96/98/327249698.db2.gz ABFKXAQNIBQJJA-UHFFFAOYSA-N 1 1 280.209 3.337 20 30 CGEDMO C[C@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)[C@H]1C ZINC000566313218 327304003 /nfs/dbraw/zinc/30/40/03/327304003.db2.gz GXHKNYYCSUMNGV-RYUDHWBXSA-N 1 1 267.294 3.397 20 30 CGEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cn2)C1 ZINC000583358513 327318252 /nfs/dbraw/zinc/31/82/52/327318252.db2.gz WIDPLZAOTKFBIN-LSDHHAIUSA-N 1 1 275.421 3.059 20 30 CGEDMO Clc1ccc(C#CCn2cc[nH+]c2C2CC2)cc1 ZINC000530131333 328687631 /nfs/dbraw/zinc/68/76/31/328687631.db2.gz YQJZEGJWMSCLOP-UHFFFAOYSA-N 1 1 256.736 3.466 20 30 CGEDMO C=C(CC)CNc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000358658300 328889876 /nfs/dbraw/zinc/88/98/76/328889876.db2.gz VTIMJVBWLHKZCH-HNNXBMFYSA-N 1 1 274.408 3.458 20 30 CGEDMO C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC2(CC#N)CC2)CC1 ZINC000369706484 328945717 /nfs/dbraw/zinc/94/57/17/328945717.db2.gz KSEQVKQUVMZYNH-RDJZCZTQSA-N 1 1 289.467 3.313 20 30 CGEDMO CCCCCCCC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000377426198 329014967 /nfs/dbraw/zinc/01/49/67/329014967.db2.gz NGMNSARVKWQEOA-CABCVRRESA-N 1 1 266.429 3.090 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000377775867 329029044 /nfs/dbraw/zinc/02/90/44/329029044.db2.gz IDUYWQNMBGFPPY-CABCVRRESA-N 1 1 276.424 3.350 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCOC[C@H]1c1ccccc1 ZINC000378342587 329046613 /nfs/dbraw/zinc/04/66/13/329046613.db2.gz PBKDJDKRGFAGME-INIZCTEOSA-N 1 1 272.392 3.390 20 30 CGEDMO C=CCn1cc(C[NH2+][C@H](CC2CC2)c2ccccc2)nn1 ZINC000582481009 329095388 /nfs/dbraw/zinc/09/53/88/329095388.db2.gz HGCUKFXDBOBBCX-QGZVFWFLSA-N 1 1 282.391 3.095 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CCOC1 ZINC000177372852 329185941 /nfs/dbraw/zinc/18/59/41/329185941.db2.gz SMQGQBZTLRCGKN-AWEZNQCLSA-N 1 1 297.320 3.025 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000181050947 329225590 /nfs/dbraw/zinc/22/55/90/329225590.db2.gz YIGPRMADRILQAY-UHFFFAOYSA-N 1 1 277.318 3.363 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)N1CCc2sccc2[C@@H]1CC ZINC000181253410 329228188 /nfs/dbraw/zinc/22/81/88/329228188.db2.gz RXFUXYLTCXWKJJ-AWEZNQCLSA-N 1 1 292.448 3.092 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C)cc1C ZINC000181296557 329230344 /nfs/dbraw/zinc/23/03/44/329230344.db2.gz OQMHWSLTURGYLO-AWEZNQCLSA-N 1 1 260.381 3.138 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000181299057 329230442 /nfs/dbraw/zinc/23/04/42/329230442.db2.gz JIAYXEUYKUGGNS-AWEZNQCLSA-N 1 1 260.381 3.138 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000186008547 329335759 /nfs/dbraw/zinc/33/57/59/329335759.db2.gz VPSUKKFNYRSQDI-HOTGVXAUSA-N 1 1 288.435 3.225 20 30 CGEDMO C=CCC(CC=C)C(=O)Nc1c[nH+]ccc1-n1cc(C)cn1 ZINC000123987317 329565410 /nfs/dbraw/zinc/56/54/10/329565410.db2.gz BBKLJTSGJFFLJT-UHFFFAOYSA-N 1 1 296.374 3.283 20 30 CGEDMO C=CC1CC[NH+](Cc2csc(N(C)C3CC3)n2)CC1 ZINC000137329709 329675629 /nfs/dbraw/zinc/67/56/29/329675629.db2.gz SYUDWUWZIPGDQL-UHFFFAOYSA-N 1 1 277.437 3.140 20 30 CGEDMO C=CCC[C@H](C)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423524681 330210062 /nfs/dbraw/zinc/21/00/62/330210062.db2.gz JVAJQDFVEAIAPA-CNSOWSRNSA-N 1 1 262.441 3.084 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]C[C@@H](CC(C)C)N(C)C ZINC000035258538 330245103 /nfs/dbraw/zinc/24/51/03/330245103.db2.gz DQVIJTPEELLDND-QGZVFWFLSA-N 1 1 290.451 3.317 20 30 CGEDMO C=CCn1cc(C[NH2+][C@@H](CC)c2ccc(Cl)s2)nn1 ZINC000424291792 330335067 /nfs/dbraw/zinc/33/50/67/330335067.db2.gz FMEFXDGAMOHTOB-NSHDSACASA-N 1 1 296.827 3.420 20 30 CGEDMO N#CCCC[C@H]([NH3+])c1nc(-c2cccc(Cl)c2)no1 ZINC000424336948 330343636 /nfs/dbraw/zinc/34/36/36/330343636.db2.gz JYMMGDDJAREBEF-NSHDSACASA-N 1 1 276.727 3.084 20 30 CGEDMO C=C(C)CN1C[C@H](CC)[N@H+](CC(=C)C)C[C@H]1CC ZINC000119065361 330369604 /nfs/dbraw/zinc/36/96/04/330369604.db2.gz BGKNOBQXBASVCI-IYBDPMFKSA-N 1 1 250.430 3.313 20 30 CGEDMO C=C(C)CN1C[C@@H](CC)[N@@H+](CC(=C)C)C[C@@H]1CC ZINC000119065361 330369605 /nfs/dbraw/zinc/36/96/05/330369605.db2.gz BGKNOBQXBASVCI-IYBDPMFKSA-N 1 1 250.430 3.313 20 30 CGEDMO C=C(C)CN1C[C@@H](CC)[N@H+](CC(=C)C)C[C@@H]1CC ZINC000119065361 330369606 /nfs/dbraw/zinc/36/96/06/330369606.db2.gz BGKNOBQXBASVCI-IYBDPMFKSA-N 1 1 250.430 3.313 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)Nc1cccc(Cl)c1C ZINC000121101688 330396144 /nfs/dbraw/zinc/39/61/44/330396144.db2.gz KRLPOLVAPDXMJE-UHFFFAOYSA-N 1 1 280.799 3.485 20 30 CGEDMO C=CC[N@@H+](C)[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000121223216 330398085 /nfs/dbraw/zinc/39/80/85/330398085.db2.gz GANCPNKFQDEJJK-LBPRGKRZSA-N 1 1 257.337 3.224 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000121223216 330398086 /nfs/dbraw/zinc/39/80/86/330398086.db2.gz GANCPNKFQDEJJK-LBPRGKRZSA-N 1 1 257.337 3.224 20 30 CGEDMO C=CCC[C@H](Nc1cc[nH+]c(N(C)C)n1)c1ccccc1 ZINC000434944644 330646830 /nfs/dbraw/zinc/64/68/30/330646830.db2.gz XPWCUVOBOLWWCB-HNNXBMFYSA-N 1 1 282.391 3.084 20 30 CGEDMO COC(=O)C1([NH2+]CCCCC(C)(C)C#N)CCCCC1 ZINC000444652946 330816766 /nfs/dbraw/zinc/81/67/66/330816766.db2.gz UYTKUEFQWIOJKS-UHFFFAOYSA-N 1 1 280.412 3.172 20 30 CGEDMO C=C(CC)C[NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000449731534 330946006 /nfs/dbraw/zinc/94/60/06/330946006.db2.gz IXSWLHHVFHLMPK-UHFFFAOYSA-N 1 1 294.761 3.116 20 30 CGEDMO N#CC1(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)CCC1 ZINC000450980683 331009868 /nfs/dbraw/zinc/00/98/68/331009868.db2.gz NQHOQLJBSAQMRS-SQNIBIBYSA-N 1 1 296.414 3.185 20 30 CGEDMO CO[C@H]1C[C@@H]([N@@H+](C)CCCC(C)(C)C#N)C12CCC2 ZINC000451839628 331044357 /nfs/dbraw/zinc/04/43/57/331044357.db2.gz DFZXDNRGFSJHDW-KGLIPLIRSA-N 1 1 264.413 3.206 20 30 CGEDMO Clc1cccc(C#CC[N@H+]2CCC[C@@]3(CCOC3)C2)c1 ZINC000451908730 331047017 /nfs/dbraw/zinc/04/70/17/331047017.db2.gz WQMXXFSRRWIGAT-QGZVFWFLSA-N 1 1 289.806 3.194 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000451914286 331047220 /nfs/dbraw/zinc/04/72/20/331047220.db2.gz ZLXNPPXZIJROHG-INIZCTEOSA-N 1 1 264.413 3.209 20 30 CGEDMO COC[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000452098811 331054003 /nfs/dbraw/zinc/05/40/03/331054003.db2.gz GADGNCGDQNDQKM-MRXNPFEDSA-N 1 1 291.822 3.440 20 30 CGEDMO C=C1CC[NH+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)CC1 ZINC000459343246 331277067 /nfs/dbraw/zinc/27/70/67/331277067.db2.gz HNMQOZOXQIWVGL-UHFFFAOYSA-N 1 1 281.359 3.001 20 30 CGEDMO CCN1C[C@H](C)[NH+](CCCCC(C)(C)C#N)[C@@H](C)C1 ZINC000459462828 331282902 /nfs/dbraw/zinc/28/29/02/331282902.db2.gz MVCMQOACTYUQJY-GJZGRUSLSA-N 1 1 265.445 3.121 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000489035402 332038760 /nfs/dbraw/zinc/03/87/60/332038760.db2.gz DBJFUVNETMIKMM-QWHCGFSZSA-N 1 1 279.346 3.368 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cncn1Cc1ccccc1 ZINC000489413491 332050778 /nfs/dbraw/zinc/05/07/78/332050778.db2.gz YCRNZIXOUDPFRG-QGZVFWFLSA-N 1 1 281.403 3.472 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccn(-c2ccccc2)n1 ZINC000489449710 332053543 /nfs/dbraw/zinc/05/35/43/332053543.db2.gz OQOQVPBLPMBPPJ-INIZCTEOSA-N 1 1 267.376 3.413 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccn(-c2ccccc2)n1 ZINC000489449710 332053545 /nfs/dbraw/zinc/05/35/45/332053545.db2.gz OQOQVPBLPMBPPJ-INIZCTEOSA-N 1 1 267.376 3.413 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000489468744 332054667 /nfs/dbraw/zinc/05/46/67/332054667.db2.gz BWZBNBXYENSSLA-MRXNPFEDSA-N 1 1 267.376 3.413 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000489471183 332054710 /nfs/dbraw/zinc/05/47/10/332054710.db2.gz GOABTADAOMRSJO-CQSZACIVSA-N 1 1 260.337 3.178 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1OC ZINC000489493412 332056443 /nfs/dbraw/zinc/05/64/43/332056443.db2.gz SEGKBDWHWSGKOD-CQSZACIVSA-N 1 1 261.365 3.115 20 30 CGEDMO C#C[C@H]([NH2+]Cc1ccc(CC)nc1)c1ccc(F)cc1 ZINC000491497403 332223605 /nfs/dbraw/zinc/22/36/05/332223605.db2.gz XXLLONKZMIZERR-KRWDZBQOSA-N 1 1 268.335 3.247 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccccc1Oc1cccnc1 ZINC000491705115 332298214 /nfs/dbraw/zinc/29/82/14/332298214.db2.gz CGMUPTZGXGGOLV-AWEZNQCLSA-N 1 1 266.344 3.327 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249734740 334339636 /nfs/dbraw/zinc/33/96/36/334339636.db2.gz DNRJQCUTOGSFLA-ZIAGYGMSSA-N 1 1 286.202 3.459 20 30 CGEDMO C=C(CC)C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309908951 333051231 /nfs/dbraw/zinc/05/12/31/333051231.db2.gz LHULBURVTBFOFS-AEFFLSMTSA-N 1 1 272.436 3.453 20 30 CGEDMO C=C(C)C[NH+]1CCC(N[C@@H](C)c2cncc(C)c2)CC1 ZINC000184348912 333127242 /nfs/dbraw/zinc/12/72/42/333127242.db2.gz FEKMPKYXWFBDSB-HNNXBMFYSA-N 1 1 273.424 3.081 20 30 CGEDMO CCN(CC)[C@@H]1CC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000233445746 333352329 /nfs/dbraw/zinc/35/23/29/333352329.db2.gz NCTHFXHZQRIBOO-OAHLLOKOSA-N 1 1 265.445 3.123 20 30 CGEDMO CCN(CC)[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000233445746 333352330 /nfs/dbraw/zinc/35/23/30/333352330.db2.gz NCTHFXHZQRIBOO-OAHLLOKOSA-N 1 1 265.445 3.123 20 30 CGEDMO CCN(CC)[C@H]1CC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000233450150 333352674 /nfs/dbraw/zinc/35/26/74/333352674.db2.gz NCTHFXHZQRIBOO-HNNXBMFYSA-N 1 1 265.445 3.123 20 30 CGEDMO CCN(CC)[C@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000233450150 333352675 /nfs/dbraw/zinc/35/26/75/333352675.db2.gz NCTHFXHZQRIBOO-HNNXBMFYSA-N 1 1 265.445 3.123 20 30 CGEDMO C=CCC[N@H+](C)Cc1cccc(Br)c1 ZINC000338547175 335136914 /nfs/dbraw/zinc/13/69/14/335136914.db2.gz MKEPJJDAZHQCFT-UHFFFAOYSA-N 1 1 254.171 3.457 20 30 CGEDMO CC(C)[N@H+](CCC#N)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000547367612 334084151 /nfs/dbraw/zinc/08/41/51/334084151.db2.gz FBRATFWXRTUWGZ-UHFFFAOYSA-N 1 1 288.391 3.456 20 30 CGEDMO CC(C)[N@@H+](CCC#N)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000547367612 334084152 /nfs/dbraw/zinc/08/41/52/334084152.db2.gz FBRATFWXRTUWGZ-UHFFFAOYSA-N 1 1 288.391 3.456 20 30 CGEDMO C=C[C@H](CC(=O)NCC[N@H+](CC)C(C)C)c1ccccc1 ZINC000134666450 334099678 /nfs/dbraw/zinc/09/96/78/334099678.db2.gz HOMQMWIZWVKSBA-MRXNPFEDSA-N 1 1 288.435 3.193 20 30 CGEDMO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CC#Cc1ccccc1Cl ZINC000135091350 334115230 /nfs/dbraw/zinc/11/52/30/334115230.db2.gz HMTBVBWSEUYTMW-IRXDYDNUSA-N 1 1 291.822 3.317 20 30 CGEDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1Cl ZINC000135091350 334115231 /nfs/dbraw/zinc/11/52/31/334115231.db2.gz HMTBVBWSEUYTMW-IRXDYDNUSA-N 1 1 291.822 3.317 20 30 CGEDMO CCOC[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000135120515 334116504 /nfs/dbraw/zinc/11/65/04/334116504.db2.gz ZQMOQUJIZZQCKM-CQSZACIVSA-N 1 1 277.795 3.050 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000078606585 334137126 /nfs/dbraw/zinc/13/71/26/334137126.db2.gz VOIHWILEVMYSOW-SFHVURJKSA-N 1 1 286.419 3.152 20 30 CGEDMO CC[C@H](C)[N@@H+](CCCCC#N)CC(=O)OC(C)(C)C ZINC000136341303 334152492 /nfs/dbraw/zinc/15/24/92/334152492.db2.gz HHOOYQNKLXLJRF-ZDUSSCGKSA-N 1 1 268.401 3.122 20 30 CGEDMO CC#CC[N@H+](C)Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000550491919 334223144 /nfs/dbraw/zinc/22/31/44/334223144.db2.gz WCXJBTXMFHSDNV-UHFFFAOYSA-N 1 1 292.382 3.394 20 30 CGEDMO CC#CC[N@@H+](C)Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000550491919 334223146 /nfs/dbraw/zinc/22/31/46/334223146.db2.gz WCXJBTXMFHSDNV-UHFFFAOYSA-N 1 1 292.382 3.394 20 30 CGEDMO CC[C@H](CC#N)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248391940 334299780 /nfs/dbraw/zinc/29/97/80/334299780.db2.gz DVBORSGEXKXQMJ-WJFTUGDTSA-N 1 1 297.446 3.179 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000252662959 334384549 /nfs/dbraw/zinc/38/45/49/334384549.db2.gz FMCABGZBRSBVPC-XIRDDKMYSA-N 1 1 259.393 3.192 20 30 CGEDMO Fc1ccc(C#CC[NH+]2CCC(C(F)(F)F)CC2)cc1 ZINC000154128595 334688856 /nfs/dbraw/zinc/68/88/56/334688856.db2.gz YCJQNBXSTNABAF-UHFFFAOYSA-N 1 1 285.284 3.452 20 30 CGEDMO CC[C@H](CSC)[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000576825302 335252730 /nfs/dbraw/zinc/25/27/30/335252730.db2.gz FPCDJRXRELZGKT-CYBMUJFWSA-N 1 1 293.392 3.040 20 30 CGEDMO COC[C@H]([NH2+]Cc1ccccc1C#N)c1ccccc1 ZINC000179089240 335472651 /nfs/dbraw/zinc/47/26/51/335472651.db2.gz PEHPBTPTHLFEHP-KRWDZBQOSA-N 1 1 266.344 3.036 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)CCCO1 ZINC000381141016 336051681 /nfs/dbraw/zinc/05/16/81/336051681.db2.gz QFSMKPMITUCRJZ-HNNXBMFYSA-N 1 1 266.429 3.453 20 30 CGEDMO CN(CCC[N@@H+](CCC#N)CC1CC1)c1ccccc1 ZINC000581545576 336099422 /nfs/dbraw/zinc/09/94/22/336099422.db2.gz RPQSSQOWMDJKLV-UHFFFAOYSA-N 1 1 271.408 3.139 20 30 CGEDMO CC[C@@H]1[C@H](C)CC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000384285798 336123297 /nfs/dbraw/zinc/12/32/97/336123297.db2.gz NCZPZGIPZDFCJX-CZUORRHYSA-N 1 1 258.365 3.057 20 30 CGEDMO CCC[N@@H+](CC)C[C@@H](C)Nc1nc(Cl)c(C#N)s1 ZINC000290771382 521612109 /nfs/dbraw/zinc/61/21/09/521612109.db2.gz MGILVJAOOYVWCF-SECBINFHSA-N 1 1 286.832 3.200 20 30 CGEDMO C[C@H]1CC[C@]2(CC[N@@H+](CC(=O)Nc3ccc(C#N)cc3)C2)C1 ZINC000359541867 533773548 /nfs/dbraw/zinc/77/35/48/533773548.db2.gz DULBOYZWRYPVTM-KSSFIOAISA-N 1 1 297.402 3.009 20 30 CGEDMO C[C@H]([NH2+]CC1(N(C)C)CCCC1)c1ccc(C#N)cc1F ZINC000358577797 533833620 /nfs/dbraw/zinc/83/36/20/533833620.db2.gz VGWJMYFTNMPHOO-ZDUSSCGKSA-N 1 1 289.398 3.222 20 30 CGEDMO Cc1cc(C2CC[NH+](Cc3ccc(CC#N)cc3)CC2)n[nH]1 ZINC000332446744 534145113 /nfs/dbraw/zinc/14/51/13/534145113.db2.gz KJMLVXHJTUGPMV-UHFFFAOYSA-N 1 1 294.402 3.164 20 30 CGEDMO C[C@@H]1CC[C@]2(CC[N@@H+](CC(=O)Nc3cccc(C#N)c3)C2)C1 ZINC000359567274 534265504 /nfs/dbraw/zinc/26/55/04/534265504.db2.gz WUIZDNIWHVRENO-KDOFPFPSSA-N 1 1 297.402 3.009 20 30 CGEDMO Cc1nc(NCC[C@@H]2CCC[N@H+](C)C2)c(Cl)cc1C#N ZINC000413443097 534491385 /nfs/dbraw/zinc/49/13/85/534491385.db2.gz QZDQSRVERJCKSX-LBPRGKRZSA-N 1 1 292.814 3.059 20 30 CGEDMO C=Cn1cc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cn1 ZINC000425364917 526279411 /nfs/dbraw/zinc/27/94/11/526279411.db2.gz HWVIQKZYIDLCEE-CYBMUJFWSA-N 1 1 266.348 3.048 20 30 CGEDMO C=C(C)C[N@H+](CCc1ccncc1)Cc1cnn(C(C)C)c1 ZINC000352900820 526553725 /nfs/dbraw/zinc/55/37/25/526553725.db2.gz IQFXUUNIELEWJO-UHFFFAOYSA-N 1 1 298.434 3.480 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)[C@H](C)c2cnn(C)c2)cc1 ZINC000347635069 526863945 /nfs/dbraw/zinc/86/39/45/526863945.db2.gz WYHGOMKAHBSYNI-CQSZACIVSA-N 1 1 285.391 3.178 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000352740655 526935748 /nfs/dbraw/zinc/93/57/48/526935748.db2.gz YMEACMFJFVAGCC-AWEZNQCLSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000352740655 526935752 /nfs/dbraw/zinc/93/57/52/526935752.db2.gz YMEACMFJFVAGCC-AWEZNQCLSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccnn1-c1ccc(F)cc1 ZINC000353664796 527191602 /nfs/dbraw/zinc/19/16/02/527191602.db2.gz YIUXCUJWCNTGMQ-UHFFFAOYSA-N 1 1 273.355 3.409 20 30 CGEDMO C=CCCC[N@H+](C)CCC(=O)c1ccc(OC)cc1 ZINC000352014134 527191690 /nfs/dbraw/zinc/19/16/90/527191690.db2.gz LTFLZKRNWIWIRY-UHFFFAOYSA-N 1 1 261.365 3.166 20 30 CGEDMO C=CCCC[N@@H+](Cc1cccs1)[C@H]1C=C[C@@H](CO)C1 ZINC000347359573 527196694 /nfs/dbraw/zinc/19/66/94/527196694.db2.gz WIFCHVGHWVNHJW-CABCVRRESA-N 1 1 277.433 3.453 20 30 CGEDMO C=CCC[N@@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000352247622 527325293 /nfs/dbraw/zinc/32/52/93/527325293.db2.gz OATCJTOUPSIRKP-UHFFFAOYSA-N 1 1 278.827 3.424 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)C[C@@H]1CCO[C@@H](C)C1 ZINC000352716824 527715488 /nfs/dbraw/zinc/71/54/88/527715488.db2.gz HLGNVLUKTMVAPX-LSDHHAIUSA-N 1 1 252.402 3.063 20 30 CGEDMO CCC[N@@H+](CC(C)C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000411205084 527929064 /nfs/dbraw/zinc/92/90/64/527929064.db2.gz ZIBAPEGMZYUTGL-QGZVFWFLSA-N 1 1 299.418 3.032 20 30 CGEDMO CCCC[N@@H+](CCCO)Cc1ccc(C#N)cc1Cl ZINC000439442792 528417988 /nfs/dbraw/zinc/41/79/88/528417988.db2.gz RZLJSSGPNNWGJZ-UHFFFAOYSA-N 1 1 280.799 3.196 20 30 CGEDMO CCC[C@H](C)[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000486798017 535658779 /nfs/dbraw/zinc/65/87/79/535658779.db2.gz FLCQYQHJHUARKM-WMLDXEAASA-N 1 1 299.418 3.397 20 30 CGEDMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459479134 536092886 /nfs/dbraw/zinc/09/28/86/536092886.db2.gz UISOJMMMDCVUOO-YPMHNXCESA-N 1 1 273.336 3.229 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)C[C@H](CC)c1ccccc1 ZINC000729812118 571932547 /nfs/dbraw/zinc/93/25/47/571932547.db2.gz MDGAHAOHHDSCAY-FUHWJXTLSA-N 1 1 299.414 3.211 20 30 CGEDMO CCCCCCCCC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000731025995 572391029 /nfs/dbraw/zinc/39/10/29/572391029.db2.gz UIDDSZIEDWYKAV-OAHLLOKOSA-N 1 1 268.445 3.195 20 30 CGEDMO C#CC[N@@H+](C)CCCCCc1cc(-c2ccccc2)n[nH]1 ZINC000731031932 572391069 /nfs/dbraw/zinc/39/10/69/572391069.db2.gz OFEINTYKYDITJY-UHFFFAOYSA-N 1 1 281.403 3.355 20 30 CGEDMO CCCCCCCC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000732035052 572446263 /nfs/dbraw/zinc/44/62/63/572446263.db2.gz KGMOYIWCQBRPOS-HNNXBMFYSA-N 1 1 266.429 3.042 20 30 CGEDMO CCCCCC[C@H](C)NN=C1CC[N@@H+](C)[C@@H](C)C1 ZINC000743450550 572662960 /nfs/dbraw/zinc/66/29/60/572662960.db2.gz MCEFGKKKGMRWRS-KBPBESRZSA-N 1 1 253.434 3.405 20 30 CGEDMO C=C1CC[NH+]([C@@H]2CCCN(c3ccc(C)cc3)C2=O)CC1 ZINC000743847847 572688245 /nfs/dbraw/zinc/68/82/45/572688245.db2.gz SNZSYFTUBVCKGX-QGZVFWFLSA-N 1 1 284.403 3.142 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)Cc1cccc(N(C)C)c1 ZINC000743851535 572689127 /nfs/dbraw/zinc/68/91/27/572689127.db2.gz VMMFJHUHTGHLBW-UHFFFAOYSA-N 1 1 259.397 3.124 20 30 CGEDMO C#CC[N@@H+](CC#CC)Cc1cc(C)nc2ccccc12 ZINC000743852191 572690655 /nfs/dbraw/zinc/69/06/55/572690655.db2.gz CQZSINFDCLNUMF-UHFFFAOYSA-N 1 1 262.356 3.002 20 30 CGEDMO C#CC[N@H+](CC#CC)Cc1cc(C)nc2ccccc12 ZINC000743852191 572690658 /nfs/dbraw/zinc/69/06/58/572690658.db2.gz CQZSINFDCLNUMF-UHFFFAOYSA-N 1 1 262.356 3.002 20 30 CGEDMO CC[C@@H](C)[N@@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000735309607 572714421 /nfs/dbraw/zinc/71/44/21/572714421.db2.gz QCDSKBRTLAAPBC-LLVKDONJSA-N 1 1 266.772 3.473 20 30 CGEDMO C#CC[N@@H+](CC(=O)Nc1cccc(C)c1)C1CCCCC1 ZINC000744212533 572723435 /nfs/dbraw/zinc/72/34/35/572723435.db2.gz GQNGIRXFNCQNIR-UHFFFAOYSA-N 1 1 284.403 3.201 20 30 CGEDMO C#CC[N@H+](CC(=O)Nc1cccc(C)c1)C1CCCCC1 ZINC000744212533 572723438 /nfs/dbraw/zinc/72/34/38/572723438.db2.gz GQNGIRXFNCQNIR-UHFFFAOYSA-N 1 1 284.403 3.201 20 30 CGEDMO COc1ccc(Cl)cc1C[NH2+]CC#Cc1ccccc1 ZINC000736355717 572783820 /nfs/dbraw/zinc/78/38/20/572783820.db2.gz VSCKQNFHUVBWAA-UHFFFAOYSA-N 1 1 285.774 3.490 20 30 CGEDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000745948635 572841856 /nfs/dbraw/zinc/84/18/56/572841856.db2.gz OJEGMPFDWITATF-DZGCQCFKSA-N 1 1 258.365 3.209 20 30 CGEDMO C=CCCC[N@H+](C)CN1C(=O)C(C)(C)[C@@H]1c1ccccc1 ZINC000749956253 573067698 /nfs/dbraw/zinc/06/76/98/573067698.db2.gz UWQFVLYWSZYQJV-INIZCTEOSA-N 1 1 286.419 3.452 20 30 CGEDMO CC[N@H+]1CCCC[C@H]1CNc1nc2ccccc2cc1C#N ZINC000750172240 573096476 /nfs/dbraw/zinc/09/64/76/573096476.db2.gz WOZCDMKKIJPXQD-INIZCTEOSA-N 1 1 294.402 3.393 20 30 CGEDMO C=CCCC[C@@H](C)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000823893872 608383948 /nfs/dbraw/zinc/38/39/48/608383948.db2.gz AILCTYIRUURGMN-CYBMUJFWSA-N 1 1 285.395 3.043 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)C2(CC)CCCC2)CC1 ZINC000983454334 613251098 /nfs/dbraw/zinc/25/10/98/613251098.db2.gz PXDKPAJQFUSODN-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H](C)C2CC2)CC1 ZINC000948276781 613256364 /nfs/dbraw/zinc/25/63/64/613256364.db2.gz AHIHOEQLPUFZIG-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C2CC2)C[C@H]1C ZINC000947632635 613265290 /nfs/dbraw/zinc/26/52/90/613265290.db2.gz DFRAKZHPKOJSFZ-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)co2)C[C@H]1C ZINC000947629997 613266741 /nfs/dbraw/zinc/26/67/41/613266741.db2.gz SIVSEULDGDMXBD-HUUCEWRRSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCC)C2)C1 ZINC000961103238 613268833 /nfs/dbraw/zinc/26/88/33/613268833.db2.gz WBWOWCMXKKOVLD-IAGOWNOFSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cccs2)C1 ZINC000964809320 613268964 /nfs/dbraw/zinc/26/89/64/613268964.db2.gz WDBNEUSBRPKSQR-KBPBESRZSA-N 1 1 292.448 3.155 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccsc2)C[C@@H]1C ZINC000947027385 613272389 /nfs/dbraw/zinc/27/23/89/613272389.db2.gz RRIFCYKVXBQORT-ZFWWWQNUSA-N 1 1 292.448 3.297 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)CCC2CCCCC2)C1 ZINC000980307939 613283069 /nfs/dbraw/zinc/28/30/69/613283069.db2.gz ODKAQCMQEFUGJH-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)CC2CCCC2)C1 ZINC000972472881 613284919 /nfs/dbraw/zinc/28/49/19/613284919.db2.gz QVGCCKBNAYCPFS-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2cc(C)ccc2C)C1 ZINC000980270558 613286004 /nfs/dbraw/zinc/28/60/04/613286004.db2.gz OXUQJLXWOWLWKH-MRXNPFEDSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(CC)s2)C1 ZINC000971888906 613286582 /nfs/dbraw/zinc/28/65/82/613286582.db2.gz ZEAGBPLWXUMUTA-CYBMUJFWSA-N 1 1 292.448 3.033 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)C(CC)(CC)CC)C1 ZINC000972622302 613288006 /nfs/dbraw/zinc/28/80/06/613288006.db2.gz HYNCUUWDFUXEMX-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)C2CCC(C)(C)CC2)C1 ZINC000980508621 613288457 /nfs/dbraw/zinc/28/84/57/613288457.db2.gz SUIQWQCELJVJKT-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC000980509347 613290392 /nfs/dbraw/zinc/29/03/92/613290392.db2.gz ZAAJBZHLRSMPGF-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2cccc(C)c2C)C1 ZINC000980299932 613291533 /nfs/dbraw/zinc/29/15/33/613291533.db2.gz LGUKHDLNSIBPEZ-INIZCTEOSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)c1cocc1C ZINC000968984658 613307060 /nfs/dbraw/zinc/30/70/60/613307060.db2.gz GJVQLATUUKZNSJ-HNNXBMFYSA-N 1 1 290.407 3.139 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)c2csc(C)c2C)CC1 ZINC000981240532 613313025 /nfs/dbraw/zinc/31/30/25/613313025.db2.gz NKEVNXXZCBYZJS-UHFFFAOYSA-N 1 1 292.448 3.089 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)=C2CCCC2)C1 ZINC000965885151 613323313 /nfs/dbraw/zinc/32/33/13/613323313.db2.gz CRTMELKDFWCZOB-PBHICJAKSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2oc(C)cc2C)C[C@@H]1C ZINC000947166556 613331794 /nfs/dbraw/zinc/33/17/94/613331794.db2.gz PLLRHHPIZUBWAH-DZGCQCFKSA-N 1 1 290.407 3.055 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccsc2C)C1 ZINC000966005508 613332957 /nfs/dbraw/zinc/33/29/57/613332957.db2.gz VFAXIXBNSWWRNB-WFASDCNBSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC2CC(C)(C)C2)C[C@@H]1C ZINC000947649491 613334841 /nfs/dbraw/zinc/33/48/41/613334841.db2.gz QSFRISDTTBNLAA-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975027046 613337830 /nfs/dbraw/zinc/33/78/30/613337830.db2.gz NOQIZAWNLWFYRI-HUUCEWRRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC2(C)C)C(C)(C)C1 ZINC000974938866 613338126 /nfs/dbraw/zinc/33/81/26/613338126.db2.gz VMOISVWIMJZJOF-HUUCEWRRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)C2CCCCCC2)C(C)(C)C1 ZINC000972852588 613341267 /nfs/dbraw/zinc/34/12/67/613341267.db2.gz YEFNJAWINORLHD-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)CC2=CCCCC2)C(C)(C)C1 ZINC000972967826 613341410 /nfs/dbraw/zinc/34/14/10/613341410.db2.gz KNRAUTHCYWZPNR-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccccc3)CC[C@@H]2C1 ZINC000946454631 613343396 /nfs/dbraw/zinc/34/33/96/613343396.db2.gz PYVCVIBHFGJGOL-HDICACEKSA-N 1 1 298.430 3.047 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2C=CCCC2)C1 ZINC000971772288 613368401 /nfs/dbraw/zinc/36/84/01/613368401.db2.gz OVLBOBLQTKPJOR-HUUCEWRRSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2C=CCCC2)C1 ZINC000971772288 613368402 /nfs/dbraw/zinc/36/84/02/613368402.db2.gz OVLBOBLQTKPJOR-HUUCEWRRSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)C2CCCC2)C1 ZINC000972701028 613370324 /nfs/dbraw/zinc/37/03/24/613370324.db2.gz RGSQINSXOJTAFV-HIFRSBDPSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)C2CCCC2)C1 ZINC000972701028 613370325 /nfs/dbraw/zinc/37/03/25/613370325.db2.gz RGSQINSXOJTAFV-HIFRSBDPSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H]2CCCCC[N@@H+]2CCF)CC1 ZINC000969014018 613407746 /nfs/dbraw/zinc/40/77/46/613407746.db2.gz MZMFUNLBXYOWSI-INIZCTEOSA-N 1 1 296.430 3.063 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]2C[N@@H+](CC(C)C)C[C@H]2CC1 ZINC000946710952 613438068 /nfs/dbraw/zinc/43/80/68/613438068.db2.gz ZTDGINOJSPDOBU-IYBDPMFKSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H](C)C(C)(C)C)C2)C1 ZINC000981848616 613489288 /nfs/dbraw/zinc/48/92/88/613489288.db2.gz SQLAWPQNOBKULA-HNNXBMFYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccccc1 ZINC000968722285 613491010 /nfs/dbraw/zinc/49/10/10/613491010.db2.gz MCJXEEDQWSIWRV-KRWDZBQOSA-N 1 1 286.419 3.237 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCC)C1 ZINC000963245579 613500084 /nfs/dbraw/zinc/50/00/84/613500084.db2.gz YIPZAZAWXJUJGS-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C2(F)CCCCC2)C1 ZINC000968504127 613514831 /nfs/dbraw/zinc/51/48/31/613514831.db2.gz DXZCZJIJDPZPSS-CABCVRRESA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C2CCC=CCC2)C1 ZINC000968665456 613515231 /nfs/dbraw/zinc/51/52/31/613515231.db2.gz SBCQCUQJDLXSTO-WBVHZDCISA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C2(C)CCCC2)C[C@@H]1C ZINC000947584270 613519193 /nfs/dbraw/zinc/51/91/93/613519193.db2.gz HGYHXAJOLUGUSG-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)C2CCC2)C(C)(C)C1 ZINC000940835854 613522704 /nfs/dbraw/zinc/52/27/04/613522704.db2.gz DZLCEBCAFJMWAE-GOEBONIOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)c2cscc2C)[C@@H](C)C1 ZINC000941905027 613527299 /nfs/dbraw/zinc/52/72/99/613527299.db2.gz VYWMBLGMEHKPFR-SWLSCSKDSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC000967493748 613528841 /nfs/dbraw/zinc/52/88/41/613528841.db2.gz GBRONTCQAHOPTN-HOCLYGCPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C2CCC(=C)CC2)C1 ZINC000968216109 613528855 /nfs/dbraw/zinc/52/88/55/613528855.db2.gz ZSVDLNVIMYRYOR-RDJZCZTQSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)c2sccc2C)[C@@H](C)C1 ZINC000941747423 613528863 /nfs/dbraw/zinc/52/88/63/613528863.db2.gz LETBHKMRJWKAST-UONOGXRCSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)C2CCC=CCC2)[C@@H](C)C1 ZINC000944994689 613534840 /nfs/dbraw/zinc/53/48/40/613534840.db2.gz NJZKASNLOKZGAR-RDJZCZTQSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccc(C=C)cc1 ZINC000969039281 613684893 /nfs/dbraw/zinc/68/48/93/613684893.db2.gz GPMXNXBOGVVFIR-GOSISDBHSA-N 1 1 298.430 3.490 20 30 CGEDMO C=CC[N@H+]1CCCN(C(=O)C2CCCCCCC2)CC1 ZINC000981595440 613688335 /nfs/dbraw/zinc/68/83/35/613688335.db2.gz MVZJHMUZYAUPFC-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)/C(C)=C/C)CC2)C1 ZINC000961344227 613703764 /nfs/dbraw/zinc/70/37/64/613703764.db2.gz APFRUMCWULPRKJ-GYKBNXPHSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)C2C(C)(C)C2(C)C)CC1 ZINC000948274313 613704194 /nfs/dbraw/zinc/70/41/94/613704194.db2.gz SNSSBPOWYVOMMA-AWEZNQCLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccsc2Cl)C1 ZINC000968386613 613730821 /nfs/dbraw/zinc/73/08/21/613730821.db2.gz MKXXOHJHXOWNQI-PWSUYJOCSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc(Cl)cs2)C1 ZINC000968387326 613734378 /nfs/dbraw/zinc/73/43/78/613734378.db2.gz YNZNRTXZPYGIOM-ZYHUDNBSSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc(Cl)cs2)C1 ZINC000968387326 613734381 /nfs/dbraw/zinc/73/43/81/613734381.db2.gz YNZNRTXZPYGIOM-ZYHUDNBSSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C2(C)C(C)(C)C2(C)C)C[C@H]1C ZINC000948085805 613740257 /nfs/dbraw/zinc/74/02/57/613740257.db2.gz CORYFSRLTFZYII-ZIAGYGMSSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)C2(C)CCCCCC2)[C@H](C)C1 ZINC000942133876 613740691 /nfs/dbraw/zinc/74/06/91/613740691.db2.gz HWSUYFIEGFODDD-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)ccc2C)C[C@H]1C ZINC000947971101 613749012 /nfs/dbraw/zinc/74/90/12/613749012.db2.gz HWEAVANIFKCUCS-HZPDHXFCSA-N 1 1 286.419 3.072 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C)c2C)C[C@@H]1C ZINC000947993596 613753484 /nfs/dbraw/zinc/75/34/84/613753484.db2.gz DQTJAPHFMZGELO-GOEBONIOSA-N 1 1 286.419 3.072 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2occc2C(C)C)C[C@@H]1C ZINC000947652823 613763266 /nfs/dbraw/zinc/76/32/66/613763266.db2.gz FGJYCXSHEPWMJZ-UONOGXRCSA-N 1 1 290.407 3.172 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC(C)(C)C)C2)C1 ZINC000961089333 613765780 /nfs/dbraw/zinc/76/57/80/613765780.db2.gz FRNSJTGIUCWCJB-HZPDHXFCSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2coc3ccccc23)C1 ZINC000968702441 613771097 /nfs/dbraw/zinc/77/10/97/613771097.db2.gz MKHIKHXZDXNPSR-BBRMVZONSA-N 1 1 298.386 3.059 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2CCC3(CC3)CC2)C[C@@H]1C ZINC000947550698 613780376 /nfs/dbraw/zinc/78/03/76/613780376.db2.gz AHEJHYUKAAPOLB-HOCLYGCPSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C2CCCC2)C(C)(C)C1 ZINC000941157529 613784792 /nfs/dbraw/zinc/78/47/92/613784792.db2.gz DHAYLQYOCMUTTN-ZBFHGGJFSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2csc(Cl)c2)C[C@@H]1C ZINC000947776820 613799360 /nfs/dbraw/zinc/79/93/60/613799360.db2.gz YNEAVMGSYFYAGK-JQWIXIFHSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(-c2cccc(F)c2)no1 ZINC000900002971 620743205 /nfs/dbraw/zinc/74/32/05/620743205.db2.gz ABVUJPUAIMZKQI-LBPRGKRZSA-N 1 1 261.300 3.232 20 30 CGEDMO C[C@H]1SCC[N@@H+](CCCOc2ccc(C#N)cc2)[C@H]1C ZINC000134773192 617749372 /nfs/dbraw/zinc/74/93/72/617749372.db2.gz HWDPORYLAGPQRY-UONOGXRCSA-N 1 1 290.432 3.153 20 30 CGEDMO CCCCCCCC[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121216851 618081184 /nfs/dbraw/zinc/08/11/84/618081184.db2.gz FFONATCUCPJUQM-UHFFFAOYSA-N 1 1 280.456 3.291 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2nc(C(C)(C)C)cs2)C1 ZINC000847024849 618172202 /nfs/dbraw/zinc/17/22/02/618172202.db2.gz LXYDIOQNFBXVJM-GFCCVEGCSA-N 1 1 262.422 3.286 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2nc(C(C)(C)C)cs2)C1 ZINC000847024849 618172205 /nfs/dbraw/zinc/17/22/05/618172205.db2.gz LXYDIOQNFBXVJM-GFCCVEGCSA-N 1 1 262.422 3.286 20 30 CGEDMO CCCCCCCC[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000157909892 618223737 /nfs/dbraw/zinc/22/37/37/618223737.db2.gz DNGRDVVIJDCXNO-HNNXBMFYSA-N 1 1 264.417 3.276 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)Cc1cn(CC)nc1C ZINC000891509868 618233885 /nfs/dbraw/zinc/23/38/85/618233885.db2.gz QCYFNOCMMFTQNE-UHFFFAOYSA-N 1 1 275.421 3.461 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)Cc1cn(CC)nc1C ZINC000891509868 618233888 /nfs/dbraw/zinc/23/38/88/618233888.db2.gz QCYFNOCMMFTQNE-UHFFFAOYSA-N 1 1 275.421 3.461 20 30 CGEDMO N#CCC1(C[N@@H+]2CCC[C@H]2COc2ccc(F)cc2)CC1 ZINC000933927991 618383252 /nfs/dbraw/zinc/38/32/52/618383252.db2.gz WZDDAQJVHNTSON-HNNXBMFYSA-N 1 1 288.366 3.363 20 30 CGEDMO N#CCC[N@@H+](Cc1ccc2c(c1)CCCO2)CC1CC1 ZINC000891937688 618396326 /nfs/dbraw/zinc/39/63/26/618396326.db2.gz ORRFPGXEYBUBGX-UHFFFAOYSA-N 1 1 270.376 3.137 20 30 CGEDMO N#CCC[N@H+](Cc1ccc2c(c1)CCCO2)CC1CC1 ZINC000891937688 618396330 /nfs/dbraw/zinc/39/63/30/618396330.db2.gz ORRFPGXEYBUBGX-UHFFFAOYSA-N 1 1 270.376 3.137 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1C[C@H](O)c1ccc(Br)cc1 ZINC000934462960 618624357 /nfs/dbraw/zinc/62/43/57/618624357.db2.gz SIQGZKFMHVRWTL-KBPBESRZSA-N 1 1 296.208 3.133 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1C[C@@H](O)c1ccc(Br)cc1 ZINC000934462965 618624891 /nfs/dbraw/zinc/62/48/91/618624891.db2.gz SIQGZKFMHVRWTL-ZIAGYGMSSA-N 1 1 296.208 3.133 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1[C@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000934464551 618625349 /nfs/dbraw/zinc/62/53/49/618625349.db2.gz JIOXPCDAMMGPOH-UONOGXRCSA-N 1 1 291.395 3.131 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1[C@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000934464551 618625354 /nfs/dbraw/zinc/62/53/54/618625354.db2.gz JIOXPCDAMMGPOH-UONOGXRCSA-N 1 1 291.395 3.131 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1ccc(C)cc1F ZINC000934472543 618628502 /nfs/dbraw/zinc/62/85/02/618628502.db2.gz SGXBNGPELLXKFW-STQMWFEESA-N 1 1 276.355 3.112 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1ccc(C)cc1F ZINC000934472543 618628506 /nfs/dbraw/zinc/62/85/06/618628506.db2.gz SGXBNGPELLXKFW-STQMWFEESA-N 1 1 276.355 3.112 20 30 CGEDMO CCOc1cc(C#N)ccc1OCC[C@H]1CCCC[N@H+]1C ZINC000219337459 618728451 /nfs/dbraw/zinc/72/84/51/618728451.db2.gz GSNDVKYIGZVCRA-OAHLLOKOSA-N 1 1 288.391 3.210 20 30 CGEDMO C#CC[N@H+](Cc1c(C)nc2ccccn21)C1CCCC1 ZINC000162020234 618735387 /nfs/dbraw/zinc/73/53/87/618735387.db2.gz GFYORRJBAFOCQS-UHFFFAOYSA-N 1 1 267.376 3.021 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC(C)(C)C1 ZINC001018315501 618894478 /nfs/dbraw/zinc/89/44/78/618894478.db2.gz DQAWFHNQHFMRJB-OAGGEKHMSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC(C)(C)C1 ZINC001018315501 618894480 /nfs/dbraw/zinc/89/44/80/618894480.db2.gz DQAWFHNQHFMRJB-OAGGEKHMSA-N 1 1 290.451 3.064 20 30 CGEDMO C[C@@]12CC[N@@H+](CC3CCC(C#N)CC3)C[C@@H]1C2(F)F ZINC000930540388 619012543 /nfs/dbraw/zinc/01/25/43/619012543.db2.gz QSWORFRPRMEPJS-CLRIEMFWSA-N 1 1 268.351 3.293 20 30 CGEDMO N#CC1(CCCC[N@H+]2C[C@@H]3C[C@H]2CS3)CCC1 ZINC000930706706 619064180 /nfs/dbraw/zinc/06/41/80/619064180.db2.gz XODXQNYYHPHZDD-STQMWFEESA-N 1 1 250.411 3.040 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CCC[N@@H+](C/C=C\Cl)C2)CC1 ZINC001008416922 619093847 /nfs/dbraw/zinc/09/38/47/619093847.db2.gz JMPQVWQWJZINLQ-YHTRPRNISA-N 1 1 296.842 3.066 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CCC[N@H+](C/C=C\Cl)C2)CC1 ZINC001008416922 619093850 /nfs/dbraw/zinc/09/38/50/619093850.db2.gz JMPQVWQWJZINLQ-YHTRPRNISA-N 1 1 296.842 3.066 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000192054725 619115481 /nfs/dbraw/zinc/11/54/81/619115481.db2.gz AXAIFQFTVGGYNK-OAHLLOKOSA-N 1 1 292.423 3.124 20 30 CGEDMO C[C@H](c1ccccn1)[N@H+](C)Cc1csc(C#N)c1 ZINC000893421031 619170703 /nfs/dbraw/zinc/17/07/03/619170703.db2.gz OJLWTBHJNRHUQK-LLVKDONJSA-N 1 1 257.362 3.208 20 30 CGEDMO C[C@H](c1ccccn1)[N@@H+](C)Cc1csc(C#N)c1 ZINC000893421031 619170705 /nfs/dbraw/zinc/17/07/05/619170705.db2.gz OJLWTBHJNRHUQK-LLVKDONJSA-N 1 1 257.362 3.208 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC000931715327 619242874 /nfs/dbraw/zinc/24/28/74/619242874.db2.gz SQMNMFTUZPQIKE-KBMXLJTQSA-N 1 1 275.342 3.381 20 30 CGEDMO N#CC1(CCCC[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)CCC1 ZINC000931753558 619248986 /nfs/dbraw/zinc/24/89/86/619248986.db2.gz RLVCNSVFYBHSRI-HZPDHXFCSA-N 1 1 276.424 3.351 20 30 CGEDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1csc(C#N)c1 ZINC000894077868 619368253 /nfs/dbraw/zinc/36/82/53/619368253.db2.gz VZNVHFNXPMEIPR-HNNXBMFYSA-N 1 1 278.421 3.401 20 30 CGEDMO Cc1nc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)sc1C ZINC000894100776 619374177 /nfs/dbraw/zinc/37/41/77/619374177.db2.gz AMDBZFURDBDXKF-HNNXBMFYSA-N 1 1 283.400 3.409 20 30 CGEDMO C#C[C@H]([NH2+][C@H]1COC2(CCC2)C1)c1ccc(Cl)cc1F ZINC000894406413 619522821 /nfs/dbraw/zinc/52/28/21/619522821.db2.gz LZZMSVBWFFRREK-DOMZBBRYSA-N 1 1 293.769 3.455 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cnc2onc(C)c2c1 ZINC000894423748 619530137 /nfs/dbraw/zinc/53/01/37/619530137.db2.gz ZUFJNRGRJZQQCY-UHFFFAOYSA-N 1 1 297.358 3.355 20 30 CGEDMO CC1(C)C[N@H+](Cc2csc(C#N)c2)[C@H]1[C@@H]1CCCO1 ZINC000894535986 619567334 /nfs/dbraw/zinc/56/73/34/619567334.db2.gz PERPEMUESVHFLM-KBPBESRZSA-N 1 1 276.405 3.009 20 30 CGEDMO CC1(C)C[N@@H+](Cc2csc(C#N)c2)[C@H]1[C@@H]1CCCO1 ZINC000894535986 619567341 /nfs/dbraw/zinc/56/73/41/619567341.db2.gz PERPEMUESVHFLM-KBPBESRZSA-N 1 1 276.405 3.009 20 30 CGEDMO Cc1noc(C)c1CO[NH+]=C(N)C1CCCCCC1 ZINC000179003285 619733559 /nfs/dbraw/zinc/73/35/59/619733559.db2.gz GBGSOBYFTLFVFJ-UHFFFAOYSA-N 1 1 265.357 3.051 20 30 CGEDMO C#CC[N@@H+](CC#CC)C[C@H](OC(C)C)c1ccccc1 ZINC000794384421 619742553 /nfs/dbraw/zinc/74/25/53/619742553.db2.gz GTUBKYXXTBNLRR-SFHVURJKSA-N 1 1 269.388 3.111 20 30 CGEDMO C#CC[N@H+](CC#CC)C[C@H](OC(C)C)c1ccccc1 ZINC000794384421 619742559 /nfs/dbraw/zinc/74/25/59/619742559.db2.gz GTUBKYXXTBNLRR-SFHVURJKSA-N 1 1 269.388 3.111 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cccc3c2NCCC3)C1 ZINC000895227482 619786788 /nfs/dbraw/zinc/78/67/88/619786788.db2.gz BJUDBQOHKYYGGK-AWEZNQCLSA-N 1 1 269.392 3.170 20 30 CGEDMO COCCCC1(C[N@H+]2CCC[C@@H](CC#N)C2)CCC1 ZINC000895314011 619804496 /nfs/dbraw/zinc/80/44/96/619804496.db2.gz PUXXWWNVYLMVSC-HNNXBMFYSA-N 1 1 264.413 3.209 20 30 CGEDMO COc1cc(C[N@H+]2CC[C@@H](c3nccs3)C2)ccc1C#N ZINC000895582327 619856305 /nfs/dbraw/zinc/85/63/05/619856305.db2.gz RDVJPNSSANZKDG-CQSZACIVSA-N 1 1 299.399 3.013 20 30 CGEDMO C[C@@H]1C[C@H](Nc2ccc(C3CC3)c(C#N)c2)CC[N@H+]1C ZINC000895639649 619862956 /nfs/dbraw/zinc/86/29/56/619862956.db2.gz OECZIJYDYSBYGT-MLGOLLRUSA-N 1 1 269.392 3.330 20 30 CGEDMO Cc1cc[nH+]c(N)c1CNc1ccc(C2CC2)c(C#N)c1 ZINC000895641164 619863404 /nfs/dbraw/zinc/86/34/04/619863404.db2.gz YALWDRYZGKKQGY-UHFFFAOYSA-N 1 1 278.359 3.333 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)cc1 ZINC000895780506 619886982 /nfs/dbraw/zinc/88/69/82/619886982.db2.gz KWHYGUVEMBFGDV-GASCZTMLSA-N 1 1 275.417 3.046 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000896536896 620023640 /nfs/dbraw/zinc/02/36/40/620023640.db2.gz RHIGRRVNKLPYTL-ZIAGYGMSSA-N 1 1 277.437 3.337 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)CCC2CCCC2)CC1 ZINC000985229962 620140535 /nfs/dbraw/zinc/14/05/35/620140535.db2.gz ZGPVKTHXKFQBEI-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO Cc1cccc2c1[C@H](C)/C(=C\c1c[nH+]c(N(C)C)n1C)C2=O ZINC000840721058 620195177 /nfs/dbraw/zinc/19/51/77/620195177.db2.gz RJEDIYOHTYWFGR-KMHUVPDISA-N 1 1 295.386 3.178 20 30 CGEDMO CC[N@@H+](CCC(C)(C)C#N)C[C@@H](O)c1ccc(C)cc1 ZINC000305677286 620203747 /nfs/dbraw/zinc/20/37/47/620203747.db2.gz MEUVOXJJBSVTLJ-MRXNPFEDSA-N 1 1 274.408 3.290 20 30 CGEDMO N#Cc1ccc([C@H]2C[N@@H+](C[C@@H]3CC=CCC3)CCO2)cc1 ZINC000897590751 620405435 /nfs/dbraw/zinc/40/54/35/620405435.db2.gz AFLGLYCDRZJPEZ-SJLPKXTDSA-N 1 1 282.387 3.288 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)[C@@H]2CC23CCCC3)CC1 ZINC000989416826 620411937 /nfs/dbraw/zinc/41/19/37/620411937.db2.gz QUKULXLSBVVUQF-INIZCTEOSA-N 1 1 290.451 3.067 20 30 CGEDMO Cc1c(F)nccc1C[N@H+](C)Cc1cc(C#N)cs1 ZINC000897624776 620412494 /nfs/dbraw/zinc/41/24/94/620412494.db2.gz XHCHMRCMESIWBX-UHFFFAOYSA-N 1 1 275.352 3.094 20 30 CGEDMO Cc1c(F)nccc1C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000897624776 620412498 /nfs/dbraw/zinc/41/24/98/620412498.db2.gz XHCHMRCMESIWBX-UHFFFAOYSA-N 1 1 275.352 3.094 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1cc(OC)cnc1F ZINC000898244117 620496814 /nfs/dbraw/zinc/49/68/14/620496814.db2.gz DHPIIQZIKJUHHL-UHFFFAOYSA-N 1 1 252.333 3.017 20 30 CGEDMO C=CCCC[N@@H+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000898244449 620496885 /nfs/dbraw/zinc/49/68/85/620496885.db2.gz KOIRHCQTUHWDMT-UHFFFAOYSA-N 1 1 294.351 3.097 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000898244449 620496887 /nfs/dbraw/zinc/49/68/87/620496887.db2.gz KOIRHCQTUHWDMT-UHFFFAOYSA-N 1 1 294.351 3.097 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)C2(C)C(C)(C)C2(C)C)CC1 ZINC000989807334 620525587 /nfs/dbraw/zinc/52/55/87/620525587.db2.gz ZUKDNLDUANMRES-UHFFFAOYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)c3ccccc3C)CCC[C@H]12 ZINC000989922986 620531592 /nfs/dbraw/zinc/53/15/92/620531592.db2.gz SZMAKHXFAIDWNY-PKOBYXMFSA-N 1 1 298.430 3.298 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)C(F)=C3CCCC3)CCC[C@@H]12 ZINC000990224735 620539531 /nfs/dbraw/zinc/53/95/31/620539531.db2.gz SYTXTCPJEUBWKH-RHSMWYFYSA-N 1 1 292.398 3.083 20 30 CGEDMO Cc1nc2c(o1)CCC[C@H]2[NH2+]Cc1ccc(C)c(C#N)c1 ZINC000926961101 620555266 /nfs/dbraw/zinc/55/52/66/620555266.db2.gz HYJZIBMDKKHDSS-OAHLLOKOSA-N 1 1 281.359 3.330 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)C(C)=C3CCC3)CCC[C@@H]12 ZINC000990608881 620557218 /nfs/dbraw/zinc/55/72/18/620557218.db2.gz AHDXAAOMURRSTI-SJLPKXTDSA-N 1 1 288.435 3.176 20 30 CGEDMO Cc1cc(NCc2cccc(OCCCC#N)c2)nc(C)[nH+]1 ZINC000902168092 621181903 /nfs/dbraw/zinc/18/19/03/621181903.db2.gz AIEWFCNTHHKQFO-UHFFFAOYSA-N 1 1 296.374 3.388 20 30 CGEDMO C#CCCOc1ccc(CNc2cc(C)[nH+]c(C)n2)cc1 ZINC000902168097 621182194 /nfs/dbraw/zinc/18/21/94/621182194.db2.gz AJONXOQYNNZBQR-UHFFFAOYSA-N 1 1 281.359 3.108 20 30 CGEDMO CC[C@H](N[C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc(C#N)cc1 ZINC000902434874 621317586 /nfs/dbraw/zinc/31/75/86/621317586.db2.gz PJQNSSWHVVEARB-IPMKNSEASA-N 1 1 291.398 3.224 20 30 CGEDMO CCC[N@@H+]1CC[C@@H](CN[C@H](CC)c2cccc(C#N)c2)C1 ZINC000902761551 621430007 /nfs/dbraw/zinc/43/00/07/621430007.db2.gz SJGMDLVAMZDDRB-FUHWJXTLSA-N 1 1 285.435 3.331 20 30 CGEDMO CCC[N@H+]1CC[C@@H](CN[C@H](CC)c2cccc(C#N)c2)C1 ZINC000902761551 621430010 /nfs/dbraw/zinc/43/00/10/621430010.db2.gz SJGMDLVAMZDDRB-FUHWJXTLSA-N 1 1 285.435 3.331 20 30 CGEDMO Cc1ccncc1[C@@H](C)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902849165 621471349 /nfs/dbraw/zinc/47/13/49/621471349.db2.gz HKCVIYICFKXEFD-CHWSQXEVSA-N 1 1 266.348 3.069 20 30 CGEDMO C=CCC[C@H]([NH2+]Cc1cn[nH]c1C)[C@]1(C)CCCCO1 ZINC000902873087 621476187 /nfs/dbraw/zinc/47/61/87/621476187.db2.gz VBFPADJYFRTHEP-HOTGVXAUSA-N 1 1 277.412 3.102 20 30 CGEDMO Cc1c([C@H](C)[NH2+]CC2(C#N)CCC2)cnn1C(C)(C)C ZINC000903033519 621536203 /nfs/dbraw/zinc/53/62/03/621536203.db2.gz WMGNCMJAIDWDBV-LBPRGKRZSA-N 1 1 274.412 3.291 20 30 CGEDMO COc1ccsc1[C@H](C)[NH2+]CC1(C#N)CCC1 ZINC000903033339 621536352 /nfs/dbraw/zinc/53/63/52/621536352.db2.gz TZRWADZCAFTJLZ-JTQLQIEISA-N 1 1 250.367 3.101 20 30 CGEDMO COc1ccc2c(c1)[C@H]([NH2+]CC1(C#N)CC1)CCS2 ZINC000903105399 621578707 /nfs/dbraw/zinc/57/87/07/621578707.db2.gz CBYMUQNBCREABE-CYBMUJFWSA-N 1 1 274.389 3.125 20 30 CGEDMO COc1ccc([C@@H]([NH2+]CC2(C#N)CC2)C(C)C)c(F)c1 ZINC000903106014 621580187 /nfs/dbraw/zinc/58/01/87/621580187.db2.gz KYGTUELIPPKTCJ-HNNXBMFYSA-N 1 1 276.355 3.425 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000903108571 621581854 /nfs/dbraw/zinc/58/18/54/621581854.db2.gz DLBRWVJZIHHQJY-AWEZNQCLSA-N 1 1 299.418 3.123 20 30 CGEDMO CCc1cccnc1[C@@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000903109850 621584203 /nfs/dbraw/zinc/58/42/03/621584203.db2.gz WRXZFBUAXINFAC-CYBMUJFWSA-N 1 1 257.381 3.379 20 30 CGEDMO Cc1ccsc1[C@@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000903263338 621648851 /nfs/dbraw/zinc/64/88/51/621648851.db2.gz MFACNCYMEROPFA-SECBINFHSA-N 1 1 263.391 3.236 20 30 CGEDMO C=CC[C@@H]1[N@@H+](C[C@@H](N)CC(F)F)CCCC1(C)C ZINC000903913546 621832772 /nfs/dbraw/zinc/83/27/72/621832772.db2.gz DVPMTSPCCBHWAP-RYUDHWBXSA-N 1 1 260.372 3.036 20 30 CGEDMO C=CC[C@@H]1[N@H+](C[C@@H](N)CC(F)F)CCCC1(C)C ZINC000903913546 621832774 /nfs/dbraw/zinc/83/27/74/621832774.db2.gz DVPMTSPCCBHWAP-RYUDHWBXSA-N 1 1 260.372 3.036 20 30 CGEDMO CCCCCCCC[C@@H]([NH3+])c1nc(-c2nccn2C)no1 ZINC000904615143 621946197 /nfs/dbraw/zinc/94/61/97/621946197.db2.gz SZDFSUQHYFOQFW-GFCCVEGCSA-N 1 1 291.399 3.221 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)[C@@H]2C[C@@H]2c2cccc(F)c2)n1 ZINC000906589248 622250400 /nfs/dbraw/zinc/25/04/00/622250400.db2.gz UVRIGVAHAZRCRK-QZTJIDSGSA-N 1 1 297.377 3.033 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H](C)C3CCC3)CCC[C@@H]12 ZINC000991360158 622571123 /nfs/dbraw/zinc/57/11/23/622571123.db2.gz MSAWKZSRZQIHNG-QGPMSJSTSA-N 1 1 290.451 3.112 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(C)c(Br)c1 ZINC000769977192 625583304 /nfs/dbraw/zinc/58/33/04/625583304.db2.gz AAZHYZFRPHQOQN-LLVKDONJSA-N 1 1 266.182 3.211 20 30 CGEDMO CCCCN1CCC([NH2+][C@H](C)CC(C)(C)C#N)CC1 ZINC000924846089 622660125 /nfs/dbraw/zinc/66/01/25/622660125.db2.gz KJHJKMHGDQECQF-CQSZACIVSA-N 1 1 265.445 3.169 20 30 CGEDMO Cc1csc(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)n1 ZINC000171562995 623173274 /nfs/dbraw/zinc/17/32/74/623173274.db2.gz VSTHHUZTLUPFEE-GFCCVEGCSA-N 1 1 287.388 3.032 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000172653927 623269990 /nfs/dbraw/zinc/26/99/90/623269990.db2.gz NLOJEMFUCNSSOD-CQSZACIVSA-N 1 1 255.402 3.042 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)CC3CC(C)(C)C3)CCC[C@H]12 ZINC000992134754 623445614 /nfs/dbraw/zinc/44/56/14/623445614.db2.gz YTEZAWZEVFIURV-YJBOKZPZSA-N 1 1 290.451 3.112 20 30 CGEDMO N#CC[N@@H+](C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)C1CCCC1 ZINC000929685603 623508616 /nfs/dbraw/zinc/50/86/16/623508616.db2.gz OFEVPEAANWXQMF-LMKPVCQUSA-N 1 1 254.324 3.046 20 30 CGEDMO N#CC[N@H+](C[C@H]1C[C@@H]2[C@H](C1)C2(F)F)C1CCCC1 ZINC000929685603 623508623 /nfs/dbraw/zinc/50/86/23/623508623.db2.gz OFEVPEAANWXQMF-LMKPVCQUSA-N 1 1 254.324 3.046 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNCc2csc(C#N)c2)C1 ZINC000921538131 625656871 /nfs/dbraw/zinc/65/68/71/625656871.db2.gz UIZMWYPRIKGXFV-OKILXGFUSA-N 1 1 291.464 3.077 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)CC2CCCC2)[C@@H]1C ZINC000992990258 623772542 /nfs/dbraw/zinc/77/25/42/623772542.db2.gz ZRFRVQMTVJMZSE-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2cccs2)[C@H]1C ZINC000993004051 623785024 /nfs/dbraw/zinc/78/50/24/623785024.db2.gz DSXHCVMPVRGPDU-KGLIPLIRSA-N 1 1 292.448 3.297 20 30 CGEDMO C[C@@H](CC#N)[N@H+](C)CCC1(C(=O)OC(C)(C)C)CCC1 ZINC000929831489 623808523 /nfs/dbraw/zinc/80/85/23/623808523.db2.gz OVIHSJUIFMTZCR-ZDUSSCGKSA-N 1 1 280.412 3.122 20 30 CGEDMO C[C@@H](CC#N)[N@@H+](C)CCC1(C(=O)OC(C)(C)C)CCC1 ZINC000929831489 623808524 /nfs/dbraw/zinc/80/85/24/623808524.db2.gz OVIHSJUIFMTZCR-ZDUSSCGKSA-N 1 1 280.412 3.122 20 30 CGEDMO N#CC1CCC(C[N@H+](CCCO)Cc2ccccc2)CC1 ZINC000929856845 623882918 /nfs/dbraw/zinc/88/29/18/623882918.db2.gz YBVFSHUZLZUOJC-UHFFFAOYSA-N 1 1 286.419 3.201 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)CC2=CCCCC2)[C@@H]1C ZINC000993164211 623886721 /nfs/dbraw/zinc/88/67/21/623886721.db2.gz ZMOPLVFIZSNLJM-DOTOQJQBSA-N 1 1 290.451 3.422 20 30 CGEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNCc2csc(C#N)c2)C1 ZINC000921583584 625691090 /nfs/dbraw/zinc/69/10/90/625691090.db2.gz XUIFLRCMWJZJSV-CYBMUJFWSA-N 1 1 291.464 3.220 20 30 CGEDMO C[C@@H]1CCCN(C(C)(C)C[NH2+]Cc2csc(C#N)c2)C1 ZINC000921583584 625691104 /nfs/dbraw/zinc/69/11/04/625691104.db2.gz XUIFLRCMWJZJSV-CYBMUJFWSA-N 1 1 291.464 3.220 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C2CCC3(CC3)CC2)[C@H]1C ZINC000993613991 624055818 /nfs/dbraw/zinc/05/58/18/624055818.db2.gz LSQGPWNIWQBIED-GDBMZVCRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C2(C3CC3)CCC2)[C@H]1C ZINC000993674548 624056906 /nfs/dbraw/zinc/05/69/06/624056906.db2.gz ZCRPVKODABYQFV-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CC)[C@@H]1C ZINC000993699730 624058808 /nfs/dbraw/zinc/05/88/08/624058808.db2.gz AEASWDZTKMPAFM-YOEHRIQHSA-N 1 1 286.419 3.018 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2occc2C(C)C)[C@H]1C ZINC000993736327 624060283 /nfs/dbraw/zinc/06/02/83/624060283.db2.gz AZLHBEPUCSIBIC-UKRRQHHQSA-N 1 1 290.407 3.172 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+](CCC)[C@@H]2C)CC1 ZINC000993771885 624061856 /nfs/dbraw/zinc/06/18/56/624061856.db2.gz HTWCCDSKONZQGQ-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C=C)cc2)[C@@H]1C ZINC000993817760 624063629 /nfs/dbraw/zinc/06/36/29/624063629.db2.gz CMBAUNFNXQMSEU-MAUKXSAKSA-N 1 1 298.430 3.488 20 30 CGEDMO CN(C)c1ccc(C=[NH+]Nc2ccc(F)cc2)cc1 ZINC000916268092 624133440 /nfs/dbraw/zinc/13/34/40/624133440.db2.gz JKZOOAHLJDXGMS-UHFFFAOYSA-N 1 1 257.312 3.338 20 30 CGEDMO Cc1cc(C)cc(N[NH+]=Cc2ccc(N(C)CCO)cc2)c1 ZINC000916346632 624148782 /nfs/dbraw/zinc/14/87/82/624148782.db2.gz LUWYJEVXZNPCFC-UHFFFAOYSA-N 1 1 297.402 3.178 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)cc2)[C@H]1C ZINC000994256712 624158343 /nfs/dbraw/zinc/15/83/43/624158343.db2.gz DGFOQXLEWMOCSV-IUODEOHRSA-N 1 1 292.810 3.109 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C23CCC(CC2)CC3)[C@@H]1C ZINC000994447574 624227263 /nfs/dbraw/zinc/22/72/63/624227263.db2.gz AJSHQFMDJMSNCC-VUGNNNGISA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@H+](CC(=O)N[C@H](c1ccccc1)C(C)C)C(C)C ZINC000917071379 624234143 /nfs/dbraw/zinc/23/41/43/624234143.db2.gz SFGQASDTRBXIRP-SFHVURJKSA-N 1 1 288.435 3.396 20 30 CGEDMO C=CC[N@H+](Cc1nc(-c2ccc(C)cc2)no1)C(C)C ZINC000917071489 624234383 /nfs/dbraw/zinc/23/43/83/624234383.db2.gz SMFKHEOLDMGQRL-UHFFFAOYSA-N 1 1 271.364 3.441 20 30 CGEDMO C=CC[N@@H+](Cc1nc(-c2ccc(C)cc2)no1)C(C)C ZINC000917071489 624234384 /nfs/dbraw/zinc/23/43/84/624234384.db2.gz SMFKHEOLDMGQRL-UHFFFAOYSA-N 1 1 271.364 3.441 20 30 CGEDMO CCC[C@H]1[C@@H](C)CCC[N@H+]1Cc1cncc(C#N)c1 ZINC000930006701 624330775 /nfs/dbraw/zinc/33/07/75/624330775.db2.gz WOMVQPYGQHQBNY-BBRMVZONSA-N 1 1 257.381 3.354 20 30 CGEDMO N#CC1CCC(C[N@H+]2CC[C@@H](C3CCOCC3)C2)CC1 ZINC000930096689 624422471 /nfs/dbraw/zinc/42/24/71/624422471.db2.gz IYRONNWFJKJUDX-VMBOVVBDSA-N 1 1 276.424 3.065 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)CC1(O)CCCCC1 ZINC000920091508 624446012 /nfs/dbraw/zinc/44/60/12/624446012.db2.gz BUQDGASOAKCUMQ-UHFFFAOYSA-N 1 1 286.419 3.465 20 30 CGEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CC1CCC(C#N)CC1 ZINC000930128223 624501016 /nfs/dbraw/zinc/50/10/16/624501016.db2.gz ZEEYWSLTGUZRDG-GPANFISMSA-N 1 1 286.423 3.493 20 30 CGEDMO CCC[N@@H+](CCC(=O)C1CC1)Cc1ccc(C#N)cc1 ZINC000767350072 624728893 /nfs/dbraw/zinc/72/88/93/624728893.db2.gz DEYGZKRFTQSXNM-UHFFFAOYSA-N 1 1 270.376 3.139 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)c2cccs2)CC1 ZINC000997931259 625775113 /nfs/dbraw/zinc/77/51/13/625775113.db2.gz XOBMJFXTYKFYCT-AWEZNQCLSA-N 1 1 292.448 3.251 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](N(CC)C(=O)C2CC(C)C2)CC1 ZINC000997964470 625777080 /nfs/dbraw/zinc/77/70/80/625777080.db2.gz FGXZDAFSRHOHOO-JCYILVPMSA-N 1 1 292.467 3.312 20 30 CGEDMO C[C@H](CNCc1csc(C#N)c1)[N@H+](C)Cc1ccccc1 ZINC000921725054 625855398 /nfs/dbraw/zinc/85/53/98/625855398.db2.gz XCHDMIOFZYCEPJ-CQSZACIVSA-N 1 1 299.443 3.230 20 30 CGEDMO C[C@H](CNCc1csc(C#N)c1)[N@@H+](C)Cc1ccccc1 ZINC000921725054 625855402 /nfs/dbraw/zinc/85/54/02/625855402.db2.gz XCHDMIOFZYCEPJ-CQSZACIVSA-N 1 1 299.443 3.230 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCC[C@@H]2C)CC1 ZINC001001100515 625889521 /nfs/dbraw/zinc/88/95/21/625889521.db2.gz OTKQQHNJVWKZPE-DOTOQJQBSA-N 1 1 290.451 3.137 20 30 CGEDMO COCC[C@H]([NH2+]Cc1csc(C#N)c1)c1ccco1 ZINC000921980330 625950464 /nfs/dbraw/zinc/95/04/64/625950464.db2.gz LLVHGIVWPDVOPM-ZDUSSCGKSA-N 1 1 276.361 3.080 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)C=C(C)C)CC1 ZINC001004322596 626037216 /nfs/dbraw/zinc/03/72/16/626037216.db2.gz SJRAJPTVDRBXDY-QGZVFWFLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2ccccc2)CC1 ZINC001004337542 626040843 /nfs/dbraw/zinc/04/08/43/626040843.db2.gz XMCSJWLULKNVOX-SFHVURJKSA-N 1 1 298.430 3.189 20 30 CGEDMO Cc1ccc(C[NH2+]Cc2cnc(C3CC3)o2)cc1C#N ZINC000922759231 626043168 /nfs/dbraw/zinc/04/31/68/626043168.db2.gz FTMDLLCMPFVZCB-UHFFFAOYSA-N 1 1 267.332 3.022 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001004504257 626064347 /nfs/dbraw/zinc/06/43/47/626064347.db2.gz CBHWNWNTZAPMSS-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000839087179 626312533 /nfs/dbraw/zinc/31/25/33/626312533.db2.gz BTRYFPOOXGLYLR-ZIAGYGMSSA-N 1 1 282.428 3.045 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000839090365 626312715 /nfs/dbraw/zinc/31/27/15/626312715.db2.gz JTIRWYMJSJSSKX-CABCVRRESA-N 1 1 296.455 3.435 20 30 CGEDMO CC(=NN1CC[NH+](C)CC1)c1ccc(-c2ccccc2)s1 ZINC000839384662 626342939 /nfs/dbraw/zinc/34/29/39/626342939.db2.gz YPHBAUPIQKYIIL-UHFFFAOYSA-N 1 1 299.443 3.387 20 30 CGEDMO CC#CC[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000751559690 626396055 /nfs/dbraw/zinc/39/60/55/626396055.db2.gz ZHTFETOVZGTMFT-ROUUACIJSA-N 1 1 271.404 3.378 20 30 CGEDMO CC1CCC(=[NH+]n2cc(Br)cn2)CC1 ZINC000752745515 626437107 /nfs/dbraw/zinc/43/71/07/626437107.db2.gz CXKVVBZBSACNDJ-UHFFFAOYSA-N 1 1 256.147 3.060 20 30 CGEDMO COc1ccc(C(N)=[NH+]OCCCSCC(C)C)cc1 ZINC000752764507 626438353 /nfs/dbraw/zinc/43/83/53/626438353.db2.gz GHAUCILAGZGUQB-UHFFFAOYSA-N 1 1 296.436 3.111 20 30 CGEDMO CC(C)CC(N)=[NH+]OCc1ccc(C#N)cc1OC(F)F ZINC000753117626 626445841 /nfs/dbraw/zinc/44/58/41/626445841.db2.gz KEXQLMHRRYUICX-UHFFFAOYSA-N 1 1 297.305 3.204 20 30 CGEDMO Cc1cc(F)ccc1C[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000753786995 626465663 /nfs/dbraw/zinc/46/56/63/626465663.db2.gz SZQOMFHWOAPQLO-GOSISDBHSA-N 1 1 298.361 3.171 20 30 CGEDMO C[C@@H]1CC(N=Nc2cccc(Cl)c2)C[N@H+]1C1CC1 ZINC000753954712 626470179 /nfs/dbraw/zinc/47/01/79/626470179.db2.gz GBZRJGUQVOHTLR-SNVBAGLBSA-N 1 1 263.772 3.365 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@H+](CCC#N)C(C)C)c1O ZINC000754720210 626584474 /nfs/dbraw/zinc/58/44/74/626584474.db2.gz MOCKVYACGAUYFF-UHFFFAOYSA-N 1 1 288.391 3.253 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@@H+](CCC#N)C(C)C)c1O ZINC000754720210 626584475 /nfs/dbraw/zinc/58/44/75/626584475.db2.gz MOCKVYACGAUYFF-UHFFFAOYSA-N 1 1 288.391 3.253 20 30 CGEDMO COc1cc(C)cc(C[N@@H+](CCC#N)CC(C)C)c1O ZINC000754722091 626584770 /nfs/dbraw/zinc/58/47/70/626584770.db2.gz BZAOCRPGKUWSNE-UHFFFAOYSA-N 1 1 276.380 3.081 20 30 CGEDMO C#CC[N@H+](Cc1cccc(N(C)C)c1)C1CCCC1 ZINC000756910781 626740693 /nfs/dbraw/zinc/74/06/93/626740693.db2.gz AJFKPNKZQVASNS-UHFFFAOYSA-N 1 1 256.393 3.130 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000839547164 626761497 /nfs/dbraw/zinc/76/14/97/626761497.db2.gz DLVCTMAEHDBXGN-NSHDSACASA-N 1 1 279.689 3.081 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC000839643376 626774411 /nfs/dbraw/zinc/77/44/11/626774411.db2.gz SKYNECSZIFWPHK-AWEZNQCLSA-N 1 1 298.224 3.381 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC000839679652 626777542 /nfs/dbraw/zinc/77/75/42/626777542.db2.gz OPLKPAKEXGSAPN-MRXNPFEDSA-N 1 1 280.412 3.038 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)Cc2ccccn2)cc1 ZINC000757890606 626812393 /nfs/dbraw/zinc/81/23/93/626812393.db2.gz RYPJFZLSHCGPMT-CQSZACIVSA-N 1 1 281.359 3.004 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)CC1(C)C ZINC000759924690 626931098 /nfs/dbraw/zinc/93/10/98/626931098.db2.gz YWBJCMTYHGGTMC-CQSZACIVSA-N 1 1 272.392 3.457 20 30 CGEDMO C#Cc1cccc(N(CC)C(=O)Cn2cc[nH+]c2C(C)C)c1 ZINC000874343341 634537453 /nfs/dbraw/zinc/53/74/53/634537453.db2.gz ZOEYKPOMAXSEAZ-UHFFFAOYSA-N 1 1 295.386 3.041 20 30 CGEDMO C#CCC[N@@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000760843749 626995839 /nfs/dbraw/zinc/99/58/39/626995839.db2.gz MJYWYICGSSIDOV-INIZCTEOSA-N 1 1 285.412 3.307 20 30 CGEDMO Cc1c(Cl)cccc1N=NC1C[C@H](C)[N@H+](C)C1 ZINC000761806056 627061286 /nfs/dbraw/zinc/06/12/86/627061286.db2.gz QJLJZGXYIYLBMY-VIFPVBQESA-N 1 1 251.761 3.140 20 30 CGEDMO C=CCc1cc(C[N@@H+](C)[C@H]2CCSC2)c(O)c(OC)c1 ZINC000125026314 634548083 /nfs/dbraw/zinc/54/80/83/634548083.db2.gz QOUITSSWROKVJQ-AWEZNQCLSA-N 1 1 293.432 3.067 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000764675853 627217848 /nfs/dbraw/zinc/21/78/48/627217848.db2.gz BUFZZWHUTNOSHT-UHFFFAOYSA-N 1 1 268.404 3.275 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OC)c(OCC(=C)C)c1)C1CC1 ZINC000764683472 627218084 /nfs/dbraw/zinc/21/80/84/627218084.db2.gz QMQVKDLEPJIALG-UHFFFAOYSA-N 1 1 285.387 3.248 20 30 CGEDMO C[C@@H]1CC(=NOCC(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000764838253 627228508 /nfs/dbraw/zinc/22/85/08/627228508.db2.gz BCNTTZDXYBKTKL-LLVKDONJSA-N 1 1 286.297 3.216 20 30 CGEDMO CC#CCC[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC000764980952 627234744 /nfs/dbraw/zinc/23/47/44/627234744.db2.gz UZLQBWNYDDZYJS-GJZGRUSLSA-N 1 1 294.439 3.025 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@H](C)[C@@H]1CNC(=O)OC(C)(C)C ZINC000764974885 627234926 /nfs/dbraw/zinc/23/49/26/627234926.db2.gz ILKXFSHJXUPJMF-GJZGRUSLSA-N 1 1 294.439 3.025 20 30 CGEDMO c1cc2c(c(N=NC3CC[N@H+]4CCC[C@H]34)c1)CCCC2 ZINC000765572266 627260008 /nfs/dbraw/zinc/26/00/08/627260008.db2.gz ACSOUIKMLVSKJY-QGZVFWFLSA-N 1 1 269.392 3.201 20 30 CGEDMO Cc1c(Cl)cccc1N=NC1CC[N@H+]2CCC[C@@H]12 ZINC000765572914 627260225 /nfs/dbraw/zinc/26/02/25/627260225.db2.gz FVBJVLZJNHSVLA-AWEZNQCLSA-N 1 1 263.772 3.284 20 30 CGEDMO C#CCOc1ccc([C@@H](C)N[C@@H](C)C[NH+](CC)CC)cc1 ZINC000765769426 627269617 /nfs/dbraw/zinc/26/96/17/627269617.db2.gz UUHMIHLKYCVTFI-JKSUJKDBSA-N 1 1 288.435 3.080 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cccc2nsnc21 ZINC000766009347 627287066 /nfs/dbraw/zinc/28/70/66/627287066.db2.gz HDMGXVCYSNKMIV-UHFFFAOYSA-N 1 1 294.383 3.195 20 30 CGEDMO C#CCOc1ccc([C@@H](C)NCC[N@@H+](CC)CCC)cc1 ZINC000766400681 627327268 /nfs/dbraw/zinc/32/72/68/627327268.db2.gz OOHRNIRSQHKRSG-MRXNPFEDSA-N 1 1 288.435 3.081 20 30 CGEDMO C#CCOc1ccc([C@@H](C)NCC[N@H+](CC)CCC)cc1 ZINC000766400681 627327269 /nfs/dbraw/zinc/32/72/69/627327269.db2.gz OOHRNIRSQHKRSG-MRXNPFEDSA-N 1 1 288.435 3.081 20 30 CGEDMO C#CCCC[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC000766941265 627371674 /nfs/dbraw/zinc/37/16/74/627371674.db2.gz WEKSXFJKCRVUQI-LSDHHAIUSA-N 1 1 294.439 3.025 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000767116559 627384129 /nfs/dbraw/zinc/38/41/29/627384129.db2.gz ASBKHZFKMHFPKC-MRXNPFEDSA-N 1 1 283.371 3.242 20 30 CGEDMO C[C@H]1CCC[N@H+]1CCNc1nc(C(C)(C)C)ccc1C#N ZINC000767194681 627389305 /nfs/dbraw/zinc/38/93/05/627389305.db2.gz DDJVPOZAMLOMHN-ZDUSSCGKSA-N 1 1 286.423 3.147 20 30 CGEDMO C[N@@H+](Cc1ccc2c(c1)COC2)Cc1cccc(C#N)c1 ZINC000768263463 627471488 /nfs/dbraw/zinc/47/14/88/627471488.db2.gz PXLBMDMZTZNBGL-UHFFFAOYSA-N 1 1 278.355 3.220 20 30 CGEDMO CCOc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)c(O)c1 ZINC000768262951 627471735 /nfs/dbraw/zinc/47/17/35/627471735.db2.gz MSCIJDIXEGJMQT-UHFFFAOYSA-N 1 1 296.370 3.295 20 30 CGEDMO C[C@@H]1C[C@@H](NCC(C)(C)C#N)C[N@H+](Cc2ccccc2)C1 ZINC000768529502 627484859 /nfs/dbraw/zinc/48/48/59/627484859.db2.gz PNFDSXAYLYHKEJ-NVXWUHKLSA-N 1 1 285.435 3.036 20 30 CGEDMO C[C@@H]1C[C@@H](NCC(C)(C)C#N)C[N@@H+](Cc2ccccc2)C1 ZINC000768529502 627484863 /nfs/dbraw/zinc/48/48/63/627484863.db2.gz PNFDSXAYLYHKEJ-NVXWUHKLSA-N 1 1 285.435 3.036 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(N2CCCC2)nc1)C(C)C ZINC000768546755 627485781 /nfs/dbraw/zinc/48/57/81/627485781.db2.gz DXZCLFWXAACEHD-UHFFFAOYSA-N 1 1 259.397 3.078 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CCCCC1 ZINC000769145643 627525852 /nfs/dbraw/zinc/52/58/52/627525852.db2.gz LGJIADMJAKKREV-UHFFFAOYSA-N 1 1 294.402 3.035 20 30 CGEDMO C#CCOc1ccc(C[N@@H+](C)CCc2cccs2)cc1 ZINC000769499921 627560331 /nfs/dbraw/zinc/56/03/31/627560331.db2.gz SNAYMNWTCUSSDI-UHFFFAOYSA-N 1 1 285.412 3.435 20 30 CGEDMO C[C@@H]1CC(=NNCC(F)(F)F)C[N@@H+](Cc2ccccc2)C1 ZINC000769820738 627580795 /nfs/dbraw/zinc/58/07/95/627580795.db2.gz CNDWIMHMRUZWIR-GFCCVEGCSA-N 1 1 299.340 3.036 20 30 CGEDMO C[C@@H]1CC(=NNCC(F)(F)F)C[N@H+](Cc2ccccc2)C1 ZINC000769820738 627580798 /nfs/dbraw/zinc/58/07/98/627580798.db2.gz CNDWIMHMRUZWIR-GFCCVEGCSA-N 1 1 299.340 3.036 20 30 CGEDMO Cc1cccc(F)c1N=NC1C[N@@H+](C(C)C)C[C@@H]1C ZINC000769841575 627583035 /nfs/dbraw/zinc/58/30/35/627583035.db2.gz SUEOZRKIXGSVQU-LBPRGKRZSA-N 1 1 263.360 3.262 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H]2C)cc1 ZINC000770282055 627611242 /nfs/dbraw/zinc/61/12/42/627611242.db2.gz CTJOEAQYGBQSPL-CABCVRRESA-N 1 1 257.377 3.319 20 30 CGEDMO CCCCCCCCC(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000771398200 627706569 /nfs/dbraw/zinc/70/65/69/627706569.db2.gz SFYQXRCXSPVOQJ-CABCVRRESA-N 1 1 268.445 3.288 20 30 CGEDMO C=CC[N@H+](CCOc1ccc2c(C)cc(=O)oc2c1)C1CC1 ZINC000772382491 627788854 /nfs/dbraw/zinc/78/88/54/627788854.db2.gz RXZYBQSLYYBDCT-UHFFFAOYSA-N 1 1 299.370 3.131 20 30 CGEDMO C#CCOc1ccc(CNc2[nH]c3ccccc3[nH+]2)cc1 ZINC000775158982 628068269 /nfs/dbraw/zinc/06/82/69/628068269.db2.gz NLBOYLMBSKNFLR-UHFFFAOYSA-N 1 1 277.327 3.187 20 30 CGEDMO C=CC[N@H+](CCCn1c2ccccc2[nH]c1=O)C(C)C ZINC000777558093 628282895 /nfs/dbraw/zinc/28/28/95/628282895.db2.gz BIJYZEXOUSCKMF-UHFFFAOYSA-N 1 1 273.380 3.028 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000777730705 628296853 /nfs/dbraw/zinc/29/68/53/628296853.db2.gz NSGVAJJWEHJJFL-RHSMWYFYSA-N 1 1 277.383 3.464 20 30 CGEDMO C=CCc1cc(C[N@H+]2CC[C@H](C)[C@H](F)C2)c(O)c(OC)c1 ZINC000777966337 628316921 /nfs/dbraw/zinc/31/69/21/628316921.db2.gz GGXAAYAFAIRJAP-SWLSCSKDSA-N 1 1 293.382 3.309 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C[C@H]1F ZINC000779150082 628390964 /nfs/dbraw/zinc/39/09/64/628390964.db2.gz PJYLIZOQZQIBMK-WMLDXEAASA-N 1 1 289.398 3.216 20 30 CGEDMO CC(=NNc1cc[nH+]cc1)c1ccc2c(c1)CCCC2 ZINC000779809193 628433347 /nfs/dbraw/zinc/43/33/47/628433347.db2.gz GTXPFSDNANTQIP-UHFFFAOYSA-N 1 1 265.360 3.218 20 30 CGEDMO C(=NNc1cc[nH+]cc1)c1csc(-c2ccsc2)n1 ZINC000779812201 628434600 /nfs/dbraw/zinc/43/46/00/628434600.db2.gz OMZDMVVXIUTEAB-UHFFFAOYSA-N 1 1 286.385 3.135 20 30 CGEDMO CN(C)c1ccc(C=[NH+]Nc2ccc3n[nH]cc3c2)cc1F ZINC000779819770 628436100 /nfs/dbraw/zinc/43/61/00/628436100.db2.gz YNLIWOVWNLHYHS-UHFFFAOYSA-N 1 1 297.337 3.214 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000780375842 628485303 /nfs/dbraw/zinc/48/53/03/628485303.db2.gz XKDMYNZTTWMHHE-ZDUSSCGKSA-N 1 1 251.757 3.140 20 30 CGEDMO C=CCCC[N@H+](C)CN1C[C@](C)(C2CCCC2)CC1=O ZINC000780443683 628489741 /nfs/dbraw/zinc/48/97/41/628489741.db2.gz ODWDYYNGNCDLBI-QGZVFWFLSA-N 1 1 278.440 3.271 20 30 CGEDMO C[C@@H]1CCCC(=[NH+]n2cc(Br)cn2)[C@H]1C ZINC000781128382 628539431 /nfs/dbraw/zinc/53/94/31/628539431.db2.gz QYMZRSAWCZNBBD-BDAKNGLRSA-N 1 1 270.174 3.306 20 30 CGEDMO COc1ccc(N=NC2C[N@H+](C3CC3)C[C@H]2C)cc1Cl ZINC000782230518 628627316 /nfs/dbraw/zinc/62/73/16/628627316.db2.gz OMOBNXQPNCFIEM-SNVBAGLBSA-N 1 1 293.798 3.231 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@@H]2CCSc3c(F)cccc32)nc1 ZINC000783299382 628700823 /nfs/dbraw/zinc/70/08/23/628700823.db2.gz BJZIQYUPIMJQLR-OAHLLOKOSA-N 1 1 299.374 3.419 20 30 CGEDMO Cc1c([C@H](C)[NH2+]Cc2ccc(C#N)cn2)cccc1[N+](=O)[O-] ZINC000783299821 628700856 /nfs/dbraw/zinc/70/08/56/628700856.db2.gz FYVXFBAUXSMTTG-LBPRGKRZSA-N 1 1 296.330 3.021 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OCOCC)cc1)C1CCCC1 ZINC000783489559 628717661 /nfs/dbraw/zinc/71/76/61/628717661.db2.gz DVIKNMISDPXHGQ-UHFFFAOYSA-N 1 1 287.403 3.437 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@H]2C)cc1 ZINC000783736515 628743904 /nfs/dbraw/zinc/74/39/04/628743904.db2.gz CCBKQRXIMUDQPG-ARFHVFGLSA-N 1 1 287.403 3.086 20 30 CGEDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000784511944 628818171 /nfs/dbraw/zinc/81/81/71/628818171.db2.gz QJWCTULZDHPCFM-HNNXBMFYSA-N 1 1 272.392 3.457 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000784522936 628819023 /nfs/dbraw/zinc/81/90/23/628819023.db2.gz JJPVLPODXLFSGU-ZNMIVQPWSA-N 1 1 294.439 3.188 20 30 CGEDMO C=CCC[N@@H+](C)CN1C(=O)C(C)(C)[C@@H]1c1ccccc1 ZINC000786102796 628914232 /nfs/dbraw/zinc/91/42/32/628914232.db2.gz VNAXXMIDIBTBTN-HNNXBMFYSA-N 1 1 272.392 3.062 20 30 CGEDMO C=CCC[N@H+](C)CN1C(=O)C(C)(C)[C@@H]1c1ccccc1 ZINC000786102796 628914235 /nfs/dbraw/zinc/91/42/35/628914235.db2.gz VNAXXMIDIBTBTN-HNNXBMFYSA-N 1 1 272.392 3.062 20 30 CGEDMO N#Cc1ccc(COC(=O)[C@H]2CCC[N@H+]2C2CCCC2)cc1 ZINC000786884707 628968795 /nfs/dbraw/zinc/96/87/95/628968795.db2.gz RFQOKVRSBUGJMT-QGZVFWFLSA-N 1 1 298.386 3.008 20 30 CGEDMO C=C1CC[NH+]([C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)CC1 ZINC000789320961 629124021 /nfs/dbraw/zinc/12/40/21/629124021.db2.gz PRXACFFSMOVXOE-QGZVFWFLSA-N 1 1 298.430 3.369 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000790357392 629207452 /nfs/dbraw/zinc/20/74/52/629207452.db2.gz PBDGGXLAMXCIAB-MSOLQXFVSA-N 1 1 298.430 3.218 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1cccc(F)c1OCC(F)(F)F ZINC000862348847 629346288 /nfs/dbraw/zinc/34/62/88/629346288.db2.gz IMKOECCRUGDHLP-SNVBAGLBSA-N 1 1 289.272 3.220 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cccc(F)c1OCC(F)(F)F ZINC000862348847 629346294 /nfs/dbraw/zinc/34/62/94/629346294.db2.gz IMKOECCRUGDHLP-SNVBAGLBSA-N 1 1 289.272 3.220 20 30 CGEDMO C#C[C@@H](C)[NH2+]Cc1cc(C)c(F)cc1Br ZINC000862362734 629352601 /nfs/dbraw/zinc/35/26/01/629352601.db2.gz FCDOMWXOQCDJJY-SECBINFHSA-N 1 1 270.145 3.008 20 30 CGEDMO C#CC[N@H+](C)[C@H]1CCCc2ccc(Br)cc21 ZINC000792302141 629355115 /nfs/dbraw/zinc/35/51/15/629355115.db2.gz NQKLGIKTQQCLPW-AWEZNQCLSA-N 1 1 278.193 3.392 20 30 CGEDMO C#CC[N@@H+](C)CCCSc1ccccc1Cl ZINC000792301786 629355384 /nfs/dbraw/zinc/35/53/84/629355384.db2.gz LTAHQRDWJOOFFK-UHFFFAOYSA-N 1 1 253.798 3.387 20 30 CGEDMO C#CC[N@H+](C)Cc1cccc(SC(F)(F)F)c1 ZINC000792306428 629355861 /nfs/dbraw/zinc/35/58/61/629355861.db2.gz QDJUHOVCKZQSAW-UHFFFAOYSA-N 1 1 259.296 3.364 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000862443510 629376758 /nfs/dbraw/zinc/37/67/58/629376758.db2.gz QCUIJNNQWYQNPE-QFBILLFUSA-N 1 1 299.414 3.090 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000862443509 629376833 /nfs/dbraw/zinc/37/68/33/629376833.db2.gz QCUIJNNQWYQNPE-LPHOPBHVSA-N 1 1 299.414 3.090 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc3ccccc3nc2OC)C1 ZINC000862445305 629379349 /nfs/dbraw/zinc/37/93/49/629379349.db2.gz QDYGQLIOLOJRCX-CQSZACIVSA-N 1 1 280.371 3.089 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cc3ccccc3nc2OC)C1 ZINC000862445304 629379707 /nfs/dbraw/zinc/37/97/07/629379707.db2.gz QDYGQLIOLOJRCX-AWEZNQCLSA-N 1 1 280.371 3.089 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000862447869 629380684 /nfs/dbraw/zinc/38/06/84/629380684.db2.gz RPIYOCOHPMCSGY-CQSZACIVSA-N 1 1 265.356 3.391 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000862447559 629380875 /nfs/dbraw/zinc/38/08/75/629380875.db2.gz OBXOIUPRZMOAAZ-LLVKDONJSA-N 1 1 296.183 3.433 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000862448043 629381069 /nfs/dbraw/zinc/38/10/69/629381069.db2.gz VTDMVFDTMMVGCD-GFCCVEGCSA-N 1 1 292.304 3.422 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000862447560 629381765 /nfs/dbraw/zinc/38/17/65/629381765.db2.gz OBXOIUPRZMOAAZ-NSHDSACASA-N 1 1 296.183 3.433 20 30 CGEDMO C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C(C)(C)c1ccccc1 ZINC000792927203 629394603 /nfs/dbraw/zinc/39/46/03/629394603.db2.gz PEVBAFYSDKGYBC-SFHVURJKSA-N 1 1 294.398 3.459 20 30 CGEDMO Cc1[nH+]c(C=NN[C@@H](C)C(C)(C)C)c2ccccn12 ZINC000793110729 629411609 /nfs/dbraw/zinc/41/16/09/629411609.db2.gz BBWOKKJSQBLOTK-NSHDSACASA-N 1 1 258.369 3.001 20 30 CGEDMO CCOCCC[N@H+]1CCC(N=N[C@@H](C)C(C)(C)C)[C@@H](C)C1 ZINC000793113243 629412264 /nfs/dbraw/zinc/41/22/64/629412264.db2.gz BSOAMRUHAPKJSP-GJZGRUSLSA-N 1 1 297.487 3.135 20 30 CGEDMO Cc1cc([C@@H](C)[NH2+][C@H](CCC#N)c2ccccc2)n(C)n1 ZINC000793547538 629481722 /nfs/dbraw/zinc/48/17/22/629481722.db2.gz JFGHZIBLKLQRMS-GDBMZVCRSA-N 1 1 282.391 3.424 20 30 CGEDMO C#CC[N@H+](C[C@@H](OC(C)C)c1ccccc1)C1CC1 ZINC000794494240 629546559 /nfs/dbraw/zinc/54/65/59/629546559.db2.gz FLOHTEXLQBPEIY-QGZVFWFLSA-N 1 1 257.377 3.250 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)CC1=NNCCC(F)(F)F ZINC000794547182 629553730 /nfs/dbraw/zinc/55/37/30/629553730.db2.gz FKJBZKWQYHDSGG-GFCCVEGCSA-N 1 1 299.340 3.036 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC1=NNCCC(F)(F)F ZINC000794547182 629553731 /nfs/dbraw/zinc/55/37/31/629553731.db2.gz FKJBZKWQYHDSGG-GFCCVEGCSA-N 1 1 299.340 3.036 20 30 CGEDMO CSCCO[NH+]=Cc1ccc(N2CCCCC2)s1 ZINC000794571736 629557469 /nfs/dbraw/zinc/55/74/69/629557469.db2.gz GFHJONWSCBVSFM-UHFFFAOYSA-N 1 1 284.450 3.452 20 30 CGEDMO C#CC[N@H+](CCC(=O)c1ccc(OC)cc1)C1CCCC1 ZINC000795935210 629728199 /nfs/dbraw/zinc/72/81/99/629728199.db2.gz ZWLOMGLRWBJZND-UHFFFAOYSA-N 1 1 285.387 3.146 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000796284891 629760919 /nfs/dbraw/zinc/76/09/19/629760919.db2.gz UGVSRPMNHWMDMH-DDBAPUKQSA-N 1 1 284.403 3.183 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](CC)O[C@@]2(CCOC2)C1 ZINC000796557758 629800350 /nfs/dbraw/zinc/80/03/50/629800350.db2.gz VYUUZKDCCSSYPR-CVEARBPZSA-N 1 1 269.429 3.227 20 30 CGEDMO C#CC[N@@H+](CCCCCn1cccn1)Cc1ccccc1 ZINC000796639983 629809272 /nfs/dbraw/zinc/80/92/72/629809272.db2.gz RQFZSVPARMHZSX-UHFFFAOYSA-N 1 1 281.403 3.189 20 30 CGEDMO Oc1ccccc1/C=N/C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000864344811 629814095 /nfs/dbraw/zinc/81/40/95/629814095.db2.gz HKZGINMKQKUDFL-YAJBTMAUSA-N 1 1 272.392 3.218 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CC(C)=C[C@H](C)C2)cc1 ZINC000797604838 629970338 /nfs/dbraw/zinc/97/03/38/629970338.db2.gz JGNNZEYYXKZAFP-HNNXBMFYSA-N 1 1 269.388 3.487 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CC[C@H](c3ccccn3)C2)cc1 ZINC000799192116 630155824 /nfs/dbraw/zinc/15/58/24/630155824.db2.gz CLGCYDRCANMYRT-INIZCTEOSA-N 1 1 280.346 3.062 20 30 CGEDMO Cc1csc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)n1 ZINC000800895510 630309888 /nfs/dbraw/zinc/30/98/88/630309888.db2.gz GJXXNAXOMIRUJL-UHFFFAOYSA-N 1 1 277.780 3.266 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000801909144 630364266 /nfs/dbraw/zinc/36/42/66/630364266.db2.gz HFJGOEZTSVKFIT-OLZOCXBDSA-N 1 1 272.348 3.354 20 30 CGEDMO C[C@H](C#N)OCC[N@H+](C)Cc1cccc(Cl)c1Cl ZINC000801909905 630364348 /nfs/dbraw/zinc/36/43/48/630364348.db2.gz HWSDOHHBWVWIET-SNVBAGLBSA-N 1 1 287.190 3.354 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](C)Cc1cccc(Cl)c1Cl ZINC000801909905 630364350 /nfs/dbraw/zinc/36/43/50/630364350.db2.gz HWSDOHHBWVWIET-SNVBAGLBSA-N 1 1 287.190 3.354 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000801912859 630364913 /nfs/dbraw/zinc/36/49/13/630364913.db2.gz GZUDLTKBLCCHDK-DOTOQJQBSA-N 1 1 272.392 3.012 20 30 CGEDMO CCC[N@@H+](CCO[C@@H](C)C#N)CC1CCCCC1 ZINC000801916058 630365963 /nfs/dbraw/zinc/36/59/63/630365963.db2.gz QWVONTHVOOHHGW-AWEZNQCLSA-N 1 1 252.402 3.207 20 30 CGEDMO CC[C@H]1CCCC[N@H+]1CCNc1nc(Cl)c(C#N)s1 ZINC000804455565 630528802 /nfs/dbraw/zinc/52/88/02/630528802.db2.gz XOAPMMWBZSIHOV-JTQLQIEISA-N 1 1 298.843 3.345 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC(C)(C)OCC2(C)C)cc1 ZINC000809578184 630753813 /nfs/dbraw/zinc/75/38/13/630753813.db2.gz JAPWRHWBOXJJPW-UHFFFAOYSA-N 1 1 257.377 3.057 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCc3cccc(F)c3C2)cc1 ZINC000809579290 630754447 /nfs/dbraw/zinc/75/44/47/630754447.db2.gz YJKPGLPRAXSHON-UHFFFAOYSA-N 1 1 265.331 3.365 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCc3cccc(F)c3C2)cc1 ZINC000809579290 630754449 /nfs/dbraw/zinc/75/44/49/630754449.db2.gz YJKPGLPRAXSHON-UHFFFAOYSA-N 1 1 265.331 3.365 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)Cc2cccc(C)n2)cc1 ZINC000809581668 630755125 /nfs/dbraw/zinc/75/51/25/630755125.db2.gz OEMITVBJIIMWGA-UHFFFAOYSA-N 1 1 250.345 3.003 20 30 CGEDMO C#Cc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000809628350 630766576 /nfs/dbraw/zinc/76/65/76/630766576.db2.gz VFKXHYAECDHMST-LJQANCHMSA-N 1 1 284.447 3.126 20 30 CGEDMO C#Cc1ccc(CNC[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000809628350 630766582 /nfs/dbraw/zinc/76/65/82/630766582.db2.gz VFKXHYAECDHMST-LJQANCHMSA-N 1 1 284.447 3.126 20 30 CGEDMO C#Cc1ccc(CNC[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC000809628350 630766587 /nfs/dbraw/zinc/76/65/87/630766587.db2.gz VFKXHYAECDHMST-LJQANCHMSA-N 1 1 284.447 3.126 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)Cc1ccc(C#N)c(OC)c1 ZINC000809716266 630789632 /nfs/dbraw/zinc/78/96/32/630789632.db2.gz MUFZQGXVWQZSRD-UHFFFAOYSA-N 1 1 290.366 3.202 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(C#N)c(OC)c1 ZINC000809716266 630789637 /nfs/dbraw/zinc/78/96/37/630789637.db2.gz MUFZQGXVWQZSRD-UHFFFAOYSA-N 1 1 290.366 3.202 20 30 CGEDMO C#Cc1ccc(C[N@@H+](CC)Cc2ccncc2)cc1 ZINC000809726453 630794033 /nfs/dbraw/zinc/79/40/33/630794033.db2.gz KQDLFZLGQCAYHC-UHFFFAOYSA-N 1 1 250.345 3.085 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+](C)Cc2ccc(O)cc2)cc1 ZINC000809753361 630800755 /nfs/dbraw/zinc/80/07/55/630800755.db2.gz GABCMGJPVJQMLN-UHFFFAOYSA-N 1 1 295.382 3.426 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000810146522 630846550 /nfs/dbraw/zinc/84/65/50/630846550.db2.gz SLQLPBHGOYWKLE-UHFFFAOYSA-N 1 1 265.662 3.253 20 30 CGEDMO CSc1ccc(C[NH2+]Cc2ccc(C#N)cn2)s1 ZINC000810154421 630847660 /nfs/dbraw/zinc/84/76/60/630847660.db2.gz ONRGKMDMQPKRFD-UHFFFAOYSA-N 1 1 275.402 3.026 20 30 CGEDMO CC[C@@H](C)NN=C1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000811647911 631097168 /nfs/dbraw/zinc/09/71/68/631097168.db2.gz AOQZWZIOKRUTCO-ZIAGYGMSSA-N 1 1 259.397 3.025 20 30 CGEDMO CC[C@@H](C)NN=C1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000811647911 631097175 /nfs/dbraw/zinc/09/71/75/631097175.db2.gz AOQZWZIOKRUTCO-ZIAGYGMSSA-N 1 1 259.397 3.025 20 30 CGEDMO CC[N@@H+](CCNc1nc2ccccc2cc1C#N)C(C)C ZINC000811798930 631120666 /nfs/dbraw/zinc/12/06/66/631120666.db2.gz OMWKYSUVKNJRIQ-UHFFFAOYSA-N 1 1 282.391 3.249 20 30 CGEDMO C#CCC1(C(=O)N[C@@H](C)C[N@H+](CC)CCC)CCCCC1 ZINC000811969576 631137110 /nfs/dbraw/zinc/13/71/10/631137110.db2.gz CLDJCCPPOFNJQS-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)cnc1Cl)C1CCCCC1 ZINC000876523780 634850691 /nfs/dbraw/zinc/85/06/91/634850691.db2.gz DIOXTAATRYUANH-UHFFFAOYSA-N 1 1 263.772 3.371 20 30 CGEDMO C[C@H]1C[C@H](C)C[NH+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876526128 634850855 /nfs/dbraw/zinc/85/08/55/634850855.db2.gz SSYVDTWKJXBTLO-QWRGUYRKSA-N 1 1 263.772 3.085 20 30 CGEDMO CCCCCCCCCC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000814144842 631533713 /nfs/dbraw/zinc/53/37/13/631533713.db2.gz JCIUKBZIYPLPHF-CVEARBPZSA-N 1 1 280.456 3.290 20 30 CGEDMO CC(=[NH+]NCc1cccc(C)c1)c1cc(N)ccc1F ZINC000814873156 631661346 /nfs/dbraw/zinc/66/13/46/631661346.db2.gz OXCXTOIHOJGOPU-UHFFFAOYSA-N 1 1 271.339 3.230 20 30 CGEDMO CCCC(=NNc1cc[nH+]cc1)c1ccc(OC)cc1 ZINC000814899849 631670620 /nfs/dbraw/zinc/67/06/20/631670620.db2.gz RARCOZKCDIEKMM-UHFFFAOYSA-N 1 1 269.348 3.128 20 30 CGEDMO CC(=[NH+]NCC1(C)CCCC1)c1cc(N)ccc1F ZINC000814937848 631691391 /nfs/dbraw/zinc/69/13/91/631691391.db2.gz QUHQREJOAKQQDB-UHFFFAOYSA-N 1 1 263.360 3.302 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H](O)c1cccc2ccccc21 ZINC000815087926 631714143 /nfs/dbraw/zinc/71/41/43/631714143.db2.gz ULLLVTAOADINAM-KRWDZBQOSA-N 1 1 255.361 3.381 20 30 CGEDMO C[C@@]1(C#N)CCC[N@H+](C[C@H](O)c2cccc3ccccc32)C1 ZINC000815091249 631715168 /nfs/dbraw/zinc/71/51/68/631715168.db2.gz OHFOFGNOCAUTHO-OALUTQOASA-N 1 1 294.398 3.499 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](C[C@H](O)c2cccc3ccccc32)C1 ZINC000815091249 631715169 /nfs/dbraw/zinc/71/51/69/631715169.db2.gz OHFOFGNOCAUTHO-OALUTQOASA-N 1 1 294.398 3.499 20 30 CGEDMO CC#CC[N@@H+](C)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000815283155 631753546 /nfs/dbraw/zinc/75/35/46/631753546.db2.gz PVHADNKYHPRFQV-UHFFFAOYSA-N 1 1 288.391 3.489 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@]1(C)Cc1ccc(F)cc1 ZINC000817276411 632113714 /nfs/dbraw/zinc/11/37/14/632113714.db2.gz DEAGZMZWVAPQKE-WMLDXEAASA-N 1 1 290.382 3.151 20 30 CGEDMO Cc1ccc(NCc2ccc(C#N)c(F)c2)c(N(C)C)[nH+]1 ZINC000817408235 632140150 /nfs/dbraw/zinc/14/01/50/632140150.db2.gz GOWUXGFVZOTRJP-UHFFFAOYSA-N 1 1 284.338 3.079 20 30 CGEDMO C[N@@H+](CCCc1ccncc1)CCc1cccc(C#N)c1 ZINC000879432783 635787329 /nfs/dbraw/zinc/78/73/29/635787329.db2.gz GUGXNKJQHOPJJD-UHFFFAOYSA-N 1 1 279.387 3.060 20 30 CGEDMO CCCCCCCCC(=O)N1CC[N@@H+](C)C[C@@H]1CC ZINC000818972516 632357678 /nfs/dbraw/zinc/35/76/78/632357678.db2.gz XHJCHSVTTUHSFI-HNNXBMFYSA-N 1 1 268.445 3.290 20 30 CGEDMO C=C(Br)C[NH2+]Cc1cc2ccccc2o1 ZINC000105453752 635831969 /nfs/dbraw/zinc/83/19/69/635831969.db2.gz NWJQYIIDHQBSKF-UHFFFAOYSA-N 1 1 266.138 3.431 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CCC=CO1 ZINC000822526236 632964210 /nfs/dbraw/zinc/96/42/10/632964210.db2.gz RSSMWEDDHIPRAW-CJNGLKHVSA-N 1 1 256.349 3.244 20 30 CGEDMO C[N@H+]1CCN(c2nc3ccccc3cc2C#N)CCC1(C)C ZINC000866114817 633004110 /nfs/dbraw/zinc/00/41/10/633004110.db2.gz QHQQCKFYRAOKLI-UHFFFAOYSA-N 1 1 294.402 3.027 20 30 CGEDMO C=CCCCCC[N@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000880053918 635905953 /nfs/dbraw/zinc/90/59/53/635905953.db2.gz SXSYMJWCNXAKIW-GFCCVEGCSA-N 1 1 265.319 3.386 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000880047381 635904215 /nfs/dbraw/zinc/90/42/15/635904215.db2.gz OOFGNJNFXGZGOC-BXUZGUMPSA-N 1 1 298.308 3.272 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000880047381 635904217 /nfs/dbraw/zinc/90/42/17/635904217.db2.gz OOFGNJNFXGZGOC-BXUZGUMPSA-N 1 1 298.308 3.272 20 30 CGEDMO C[C@H]([NH2+][C@@H]1COCc2ccccc21)c1cccc(C#N)c1O ZINC000866377484 633111735 /nfs/dbraw/zinc/11/17/35/633111735.db2.gz VEOLTYMVSPCICF-YVEFUNNKSA-N 1 1 294.354 3.186 20 30 CGEDMO C[N@@H+](Cc1ccc(CC#N)cc1)C[C@@](C)(O)c1ccccc1 ZINC000823606046 633126676 /nfs/dbraw/zinc/12/66/76/633126676.db2.gz PZADETKKDCAEIB-LJQANCHMSA-N 1 1 294.398 3.092 20 30 CGEDMO C#C[C@H]([NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1)C(C)C ZINC000824364195 633236052 /nfs/dbraw/zinc/23/60/52/633236052.db2.gz WAJPAJNLAWEADZ-XLIONFOSSA-N 1 1 298.474 3.329 20 30 CGEDMO C=CCCC[N@H+](C)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000121201093 633239791 /nfs/dbraw/zinc/23/97/91/633239791.db2.gz CVPRHBANILWEIY-UHFFFAOYSA-N 1 1 288.351 3.108 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000876560914 634857737 /nfs/dbraw/zinc/85/77/37/634857737.db2.gz HYQAJALXZVZGIH-LLVKDONJSA-N 1 1 251.761 3.107 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(O[C@H]2CCOC2)cc1)C1CCCC1 ZINC000824901509 633303796 /nfs/dbraw/zinc/30/37/96/633303796.db2.gz LRUILYWEICYNTH-IBGZPJMESA-N 1 1 299.414 3.232 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CCCCC1 ZINC000827247907 633475258 /nfs/dbraw/zinc/47/52/58/633475258.db2.gz YWAGWAWLVBZCEB-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC000829163097 633706236 /nfs/dbraw/zinc/70/62/36/633706236.db2.gz RGDBICOLTLTVGO-NSHDSACASA-N 1 1 265.788 3.233 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCc2cc(Cl)nnc2C1 ZINC000829163097 633706242 /nfs/dbraw/zinc/70/62/42/633706242.db2.gz RGDBICOLTLTVGO-NSHDSACASA-N 1 1 265.788 3.233 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(F)cc3)no2)C1 ZINC000829768318 633778668 /nfs/dbraw/zinc/77/86/68/633778668.db2.gz BWWQSIPTBICROI-CYBMUJFWSA-N 1 1 299.349 3.111 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Cl)C1 ZINC000829789370 633785675 /nfs/dbraw/zinc/78/56/75/633785675.db2.gz TXXLQNZFJSNTGT-ZDUSSCGKSA-N 1 1 290.794 3.014 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2Cl)C1 ZINC000829789370 633785679 /nfs/dbraw/zinc/78/56/79/633785679.db2.gz TXXLQNZFJSNTGT-ZDUSSCGKSA-N 1 1 290.794 3.014 20 30 CGEDMO C#CC[C@H]1CCC[N@H+]([C@@H](C)c2cn(-c3ccccc3)nn2)C1 ZINC000829789408 633786036 /nfs/dbraw/zinc/78/60/36/633786036.db2.gz VGMQNQSETLDDHW-HOTGVXAUSA-N 1 1 294.402 3.064 20 30 CGEDMO C#CC[C@H]1CCC[N@H+]([C@H](C(=O)OCC)c2ccccc2)C1 ZINC000829805604 633789950 /nfs/dbraw/zinc/78/99/50/633789950.db2.gz VMPVATDFPSQELS-RDJZCZTQSA-N 1 1 285.387 3.026 20 30 CGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc([C@@H]2CCc3ccccc32)no1 ZINC000872174051 634078150 /nfs/dbraw/zinc/07/81/50/634078150.db2.gz CFXIWCLGEPBSAX-CHWSQXEVSA-N 1 1 289.766 3.290 20 30 CGEDMO Cc1cc(O)c(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1C ZINC000872680380 634185765 /nfs/dbraw/zinc/18/57/65/634185765.db2.gz HAOIPZUFTBOJOH-UKRRQHHQSA-N 1 1 258.365 3.133 20 30 CGEDMO C[N@@H+](Cc1c(O)ccc2ccncc21)[C@@H]1CCC[C@@H]1C#N ZINC000872682984 634185934 /nfs/dbraw/zinc/18/59/34/634185934.db2.gz SJGBLDCNRBYOOA-CZUORRHYSA-N 1 1 281.359 3.064 20 30 CGEDMO CCCCC(N)=[NH+]OCc1csc(CCC)n1 ZINC000101540794 634186259 /nfs/dbraw/zinc/18/62/59/634186259.db2.gz DCEOMNLCRNGTEH-UHFFFAOYSA-N 1 1 255.387 3.075 20 30 CGEDMO C#CCCC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000834607559 634197200 /nfs/dbraw/zinc/19/72/00/634197200.db2.gz ZBWXMRDGOXOVOZ-AQNXPRMDSA-N 1 1 296.458 3.433 20 30 CGEDMO FC(F)(F)c1cccc(NNC=C2CC2(F)F)[nH+]1 ZINC000834959741 634294139 /nfs/dbraw/zinc/29/41/39/634294139.db2.gz ZQLAHRKXCNLTOX-ZCFIWIBFSA-N 1 1 265.185 3.153 20 30 CGEDMO C=CCNN=C1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]12 ZINC000834977678 634301570 /nfs/dbraw/zinc/30/15/70/634301570.db2.gz PZDRGLYDBDEXPJ-FUHWJXTLSA-N 1 1 283.419 3.193 20 30 CGEDMO C#CC[N@@H+]1CCCC[C@@H]1CCc1ccc(OC)c(OC)c1 ZINC000101908381 634342251 /nfs/dbraw/zinc/34/22/51/634342251.db2.gz WUBAUUMAVYIIEU-MRXNPFEDSA-N 1 1 287.403 3.124 20 30 CGEDMO C#CC[N@@H+](Cc1ccc2nccnc2c1)C1CCCC1 ZINC000876785105 634898816 /nfs/dbraw/zinc/89/88/16/634898816.db2.gz WFNMBNOZEZBABL-UHFFFAOYSA-N 1 1 265.360 3.008 20 30 CGEDMO CS[C@@H]1CCCC[N@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876812046 634904781 /nfs/dbraw/zinc/90/47/81/634904781.db2.gz QMJCBVWYZOWSEU-CYBMUJFWSA-N 1 1 295.839 3.324 20 30 CGEDMO CS[C@@H]1CCCC[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876812046 634904786 /nfs/dbraw/zinc/90/47/86/634904786.db2.gz QMJCBVWYZOWSEU-CYBMUJFWSA-N 1 1 295.839 3.324 20 30 CGEDMO N#Cc1cnc(Cl)c(C[NH2+][C@@H]2CCCc3occc32)c1 ZINC000876928965 634929447 /nfs/dbraw/zinc/92/94/47/634929447.db2.gz DZQQREFOWBEYSW-CYBMUJFWSA-N 1 1 287.750 3.367 20 30 CGEDMO N#Cc1cnc(Cl)c(C[NH2+]C2(c3ccccc3)CC2)c1 ZINC000877010130 634949105 /nfs/dbraw/zinc/94/91/05/634949105.db2.gz MMBRAWVEBJAJPT-UHFFFAOYSA-N 1 1 283.762 3.386 20 30 CGEDMO COc1ccc(C[NH2+]C[C@H](C)C#N)cc1C(C)(C)C ZINC000877321092 635025399 /nfs/dbraw/zinc/02/53/99/635025399.db2.gz DJQQEBBYKOEESY-GFCCVEGCSA-N 1 1 260.381 3.242 20 30 CGEDMO C#CCCCCCC[N@@H+]1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000877494233 635059505 /nfs/dbraw/zinc/05/95/05/635059505.db2.gz MUZXDTGWAPALDB-BZSNNMDCSA-N 1 1 293.451 3.229 20 30 CGEDMO C#CCCCCCC[N@@H+]1C[C@H](N2CCCC2)C[C@@H]1C ZINC000877517579 635067057 /nfs/dbraw/zinc/06/70/57/635067057.db2.gz NXYHXUQHFCSTEE-DLBZAZTESA-N 1 1 262.441 3.129 20 30 CGEDMO C#CCCCCCCN1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000877517579 635067061 /nfs/dbraw/zinc/06/70/61/635067061.db2.gz NXYHXUQHFCSTEE-DLBZAZTESA-N 1 1 262.441 3.129 20 30 CGEDMO N#Cc1cnc(Cl)c(C[N@@H+]2CCC[C@H](C3CC3)C2)c1 ZINC000877535717 635077666 /nfs/dbraw/zinc/07/76/66/635077666.db2.gz RQOOGNFTLQAYBW-ZDUSSCGKSA-N 1 1 275.783 3.229 20 30 CGEDMO N#Cc1cnc(Cl)c(C[N@H+]2CCC[C@H](C3CC3)C2)c1 ZINC000877535717 635077671 /nfs/dbraw/zinc/07/76/71/635077671.db2.gz RQOOGNFTLQAYBW-ZDUSSCGKSA-N 1 1 275.783 3.229 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2cnc3c(F)cccc3c2)C1 ZINC000877622279 635118037 /nfs/dbraw/zinc/11/80/37/635118037.db2.gz JZZMGCIFWRDWAP-CYBMUJFWSA-N 1 1 283.350 3.500 20 30 CGEDMO CCCOc1ccc(C[NH+]2CC(CC#N)C2)cc1C ZINC000877625284 635119301 /nfs/dbraw/zinc/11/93/01/635119301.db2.gz NEFRCWDAAHGAMY-UHFFFAOYSA-N 1 1 258.365 3.129 20 30 CGEDMO N#CCC1C[NH+](Cc2cc3nc(Cl)ccc3s2)C1 ZINC000877625232 635119549 /nfs/dbraw/zinc/11/95/49/635119549.db2.gz LRQKJOJGWIOYPB-UHFFFAOYSA-N 1 1 277.780 3.295 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2nc(C(C)(C)C)cs2)C1 ZINC000877651557 635132370 /nfs/dbraw/zinc/13/23/70/635132370.db2.gz YHFPPUMYTJZAKK-GFCCVEGCSA-N 1 1 262.422 3.286 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000877658085 635135722 /nfs/dbraw/zinc/13/57/22/635135722.db2.gz NOQBDONPQKBGPQ-RHSMWYFYSA-N 1 1 299.418 3.352 20 30 CGEDMO C[N@@H+](C[C@H](O)c1cccc(C#N)c1)[C@@H]1CCc2ccccc21 ZINC000841493351 635186476 /nfs/dbraw/zinc/18/64/76/635186476.db2.gz LKUIXQUXSRIPMG-MOPGFXCFSA-N 1 1 292.382 3.211 20 30 CGEDMO CC(C)(CCC#N)C[N@@H+]1Cc2cccnc2N2CCC[C@H]2C1 ZINC000877762407 635190727 /nfs/dbraw/zinc/19/07/27/635190727.db2.gz IVGIPNVHUZDUGK-INIZCTEOSA-N 1 1 298.434 3.196 20 30 CGEDMO C[C@H](C#N)CNN=C1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000841633514 635202815 /nfs/dbraw/zinc/20/28/15/635202815.db2.gz OSWBHCMXGRVRJM-KDOFPFPSSA-N 1 1 296.418 3.091 20 30 CGEDMO COC(=O)c1cc(N[NH2+]C(C)=C2CC2(F)F)ccc1F ZINC000841641914 635206532 /nfs/dbraw/zinc/20/65/32/635206532.db2.gz ZEKLFCIPBZUKKV-SNVBAGLBSA-N 1 1 286.253 3.055 20 30 CGEDMO N#CC1(C[NH2+]Cc2cnc3ccccc3c2)CCC1 ZINC000841898539 635250082 /nfs/dbraw/zinc/25/00/82/635250082.db2.gz NIVNCLGARZFNKW-UHFFFAOYSA-N 1 1 251.333 3.018 20 30 CGEDMO CC(=O)[C@@](C#N)(CC[N@H+](C(C)C)C1CC1)c1ccccc1 ZINC000877965067 635291646 /nfs/dbraw/zinc/29/16/46/635291646.db2.gz RPXKECBOZABDQO-SFHVURJKSA-N 1 1 284.403 3.300 20 30 CGEDMO C#CCCCCC[N@@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000877976285 635303028 /nfs/dbraw/zinc/30/30/28/635303028.db2.gz GOWPRKCEFYRKOY-MRXNPFEDSA-N 1 1 271.408 3.158 20 30 CGEDMO CC[N@@H+](CC[C@@H](O)C(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000877990410 635309007 /nfs/dbraw/zinc/30/90/07/635309007.db2.gz DVTGNQUSCJSQMA-RHSMWYFYSA-N 1 1 274.408 3.348 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000878021831 635323217 /nfs/dbraw/zinc/32/32/17/635323217.db2.gz REQUEIWXDWWZPC-KBPBESRZSA-N 1 1 282.428 3.188 20 30 CGEDMO C[C@H](CC#N)[N@H+](C)C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000878188873 635403955 /nfs/dbraw/zinc/40/39/55/635403955.db2.gz OXSQYGXPVGWRRN-KBMXLJTQSA-N 1 1 258.365 3.141 20 30 CGEDMO C[C@H](CC#N)[N@@H+](C)C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000878188873 635403962 /nfs/dbraw/zinc/40/39/62/635403962.db2.gz OXSQYGXPVGWRRN-KBMXLJTQSA-N 1 1 258.365 3.141 20 30 CGEDMO C#CCCCCC[N@@H+]1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000878325728 635461159 /nfs/dbraw/zinc/46/11/59/635461159.db2.gz JQUVCQTUCPSTRZ-UHFFFAOYSA-N 1 1 290.451 3.047 20 30 CGEDMO CC(C)[C@H](O)CC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000878334123 635462730 /nfs/dbraw/zinc/46/27/30/635462730.db2.gz OUKOEFNKFYNDTO-GOSISDBHSA-N 1 1 284.403 3.054 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878525324 635543875 /nfs/dbraw/zinc/54/38/75/635543875.db2.gz ZJHAJBADJMJJBP-RTBURBONSA-N 1 1 296.414 3.468 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000878634856 635582559 /nfs/dbraw/zinc/58/25/59/635582559.db2.gz NAZXBSDPYKOUEV-WMZOPIPTSA-N 1 1 273.420 3.268 20 30 CGEDMO C#C[C@](C)(CC)[NH2+]Cc1c(Cl)cncc1Cl ZINC000878661121 635594853 /nfs/dbraw/zinc/59/48/53/635594853.db2.gz XRZPTMKYNJIKMQ-GFCCVEGCSA-N 1 1 257.164 3.280 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000843423486 635667128 /nfs/dbraw/zinc/66/71/28/635667128.db2.gz FPZFNZSKUZQFDC-GFCCVEGCSA-N 1 1 263.768 3.281 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2ccc3cnccc3c2)C1 ZINC000843424256 635668646 /nfs/dbraw/zinc/66/86/46/635668646.db2.gz WUXHKRWEKMWYKY-OAHLLOKOSA-N 1 1 264.372 3.470 20 30 CGEDMO CC(C)C[C@H]1CCCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000127562665 635722595 /nfs/dbraw/zinc/72/25/95/635722595.db2.gz WJOGHZURFCVRCB-MSOLQXFVSA-N 1 1 286.419 3.492 20 30 CGEDMO C[N@H+](C[C@H](O)c1ccc(F)cc1Cl)[C@H]1CCC[C@@H]1C#N ZINC000879309554 635752475 /nfs/dbraw/zinc/75/24/75/635752475.db2.gz HADDMPBBFMDXAS-ONERCXAPSA-N 1 1 296.773 3.137 20 30 CGEDMO C[N@@H+](C[C@H](O)c1ccc(F)cc1Cl)[C@H]1CCC[C@@H]1C#N ZINC000879309554 635752479 /nfs/dbraw/zinc/75/24/79/635752479.db2.gz HADDMPBBFMDXAS-ONERCXAPSA-N 1 1 296.773 3.137 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000879427559 635785454 /nfs/dbraw/zinc/78/54/54/635785454.db2.gz GLCKITGJSCVMNL-LSDHHAIUSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCC[N@@H+]1CCO[C@H](c2ccccc2OC)C1 ZINC000879634655 635823946 /nfs/dbraw/zinc/82/39/46/635823946.db2.gz ZSTFLMMUHKJCGO-INIZCTEOSA-N 1 1 261.365 3.035 20 30 CGEDMO C=CCCC[N@H+]1CCO[C@H](c2ccccc2OC)C1 ZINC000879634655 635823949 /nfs/dbraw/zinc/82/39/49/635823949.db2.gz ZSTFLMMUHKJCGO-INIZCTEOSA-N 1 1 261.365 3.035 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000879728353 635844227 /nfs/dbraw/zinc/84/42/27/635844227.db2.gz RHEVIQMOJFLIMO-UHFFFAOYSA-N 1 1 299.418 3.024 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000879728353 635844233 /nfs/dbraw/zinc/84/42/33/635844233.db2.gz RHEVIQMOJFLIMO-UHFFFAOYSA-N 1 1 299.418 3.024 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C ZINC000879755368 635856246 /nfs/dbraw/zinc/85/62/46/635856246.db2.gz SFEINGHIJTUXNR-ZIAGYGMSSA-N 1 1 280.412 3.036 20 30 CGEDMO C#CCC[N@@H+](Cc1ccccn1)Cc1ccccc1C ZINC000844333365 635872795 /nfs/dbraw/zinc/87/27/95/635872795.db2.gz IEKRJFWQNOERHX-UHFFFAOYSA-N 1 1 264.372 3.416 20 30 CGEDMO C[C@H](CSc1ccccc1)[N@H+](C)CCO[C@@H](C)C#N ZINC000844362036 635881330 /nfs/dbraw/zinc/88/13/30/635881330.db2.gz WVVPVXIDLLGDGU-KGLIPLIRSA-N 1 1 278.421 3.028 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000844373087 635883970 /nfs/dbraw/zinc/88/39/70/635883970.db2.gz CLTRHLVWLREISU-INIZCTEOSA-N 1 1 277.795 3.037 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC000844394882 635889387 /nfs/dbraw/zinc/88/93/87/635889387.db2.gz AAJNYPBGFCSHIH-STQMWFEESA-N 1 1 292.810 3.230 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(Cc2nc([C@H]3C[C@H]3C)no2)CC1 ZINC000844409578 635892932 /nfs/dbraw/zinc/89/29/32/635892932.db2.gz KCYIKZUIANYRDW-MFKMUULPSA-N 1 1 295.814 3.200 20 30 CGEDMO CCCC(N)=[NH+]OCc1nc(-c2cccs2)oc1C ZINC000105605683 635959379 /nfs/dbraw/zinc/95/93/79/635959379.db2.gz WLZRFZYBHRDLCW-UHFFFAOYSA-N 1 1 279.365 3.300 20 30 CGEDMO CCCC(N)=[NH+]OCc1ccc(Br)s1 ZINC000105606026 635959583 /nfs/dbraw/zinc/95/95/83/635959583.db2.gz LASAJWYNYDXKOZ-UHFFFAOYSA-N 1 1 277.187 3.100 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000880539225 636017627 /nfs/dbraw/zinc/01/76/27/636017627.db2.gz TVJPKQXHEHTUQI-VBQJREDUSA-N 1 1 257.377 3.248 20 30 CGEDMO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)C(=O)OC2CCCC2)C1 ZINC000845963120 636124898 /nfs/dbraw/zinc/12/48/98/636124898.db2.gz KZFJCGGXOFCYJA-MJBXVCDLSA-N 1 1 265.397 3.195 20 30 CGEDMO Cc1cc(C#N)ccc1NCCc1cn2c([nH+]1)CCCC2 ZINC000846748707 636222712 /nfs/dbraw/zinc/22/27/12/636222712.db2.gz XTIFWZGRALPLSQ-UHFFFAOYSA-N 1 1 280.375 3.054 20 30 CGEDMO Cc1cc(C#N)ccc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000846751896 636226557 /nfs/dbraw/zinc/22/65/57/636226557.db2.gz PUWFCUYDRAQPTO-CQSZACIVSA-N 1 1 283.419 3.177 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC1(Br)CC1 ZINC000847004690 636308134 /nfs/dbraw/zinc/30/81/34/636308134.db2.gz SISBVKMDNCLCMU-LLVKDONJSA-N 1 1 293.208 3.479 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000847019552 636312487 /nfs/dbraw/zinc/31/24/87/636312487.db2.gz RIJHSKHMPLCIES-MRXNPFEDSA-N 1 1 279.387 3.026 20 30 CGEDMO C=CC[C@H](C(=O)OCC[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000847821661 636459845 /nfs/dbraw/zinc/45/98/45/636459845.db2.gz KGPGRXAXUNFCOG-RDJZCZTQSA-N 1 1 287.403 3.231 20 30 CGEDMO C=C(C)C[C@@H](CO)Nc1cc(C(F)(F)F)cc(C)[nH+]1 ZINC000883005245 636502996 /nfs/dbraw/zinc/50/29/96/636502996.db2.gz IFBXYCUDJBSKSB-NSHDSACASA-N 1 1 274.286 3.148 20 30 CGEDMO O=[N+]([O-])c1ccc(N=NC2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000848398115 636566816 /nfs/dbraw/zinc/56/68/16/636566816.db2.gz CYJOSYJHEQSWSG-OAHLLOKOSA-N 1 1 288.351 3.011 20 30 CGEDMO C=CCC[C@@H](COc1ccccc1)[NH2+]Cc1cn[nH]c1C ZINC000883204996 636583363 /nfs/dbraw/zinc/58/33/63/636583363.db2.gz MUYMDRJIWBWZSH-INIZCTEOSA-N 1 1 285.391 3.222 20 30 CGEDMO Cc1ccsc1-c1noc([C@H]([NH3+])CCCCC#N)n1 ZINC000848631404 636624354 /nfs/dbraw/zinc/62/43/54/636624354.db2.gz FYQMQFUPILKNQJ-SNVBAGLBSA-N 1 1 276.365 3.190 20 30 CGEDMO Cc1ccc(-c2noc([C@@H]([NH3+])CCCCC#N)n2)s1 ZINC000848630338 636624446 /nfs/dbraw/zinc/62/44/46/636624446.db2.gz LEJMEDJOVKYDPJ-JTQLQIEISA-N 1 1 276.365 3.190 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(/C=C/C(=O)OC)o1 ZINC000848907560 636684864 /nfs/dbraw/zinc/68/48/64/636684864.db2.gz PHWWGNMOULGNLC-LXKVQUBZSA-N 1 1 275.348 3.006 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(/C=C\C(=O)OC)o1 ZINC000848907559 636685412 /nfs/dbraw/zinc/68/54/12/636685412.db2.gz PHWWGNMOULGNLC-ASCRHOAZSA-N 1 1 275.348 3.006 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc3cc(OC)ccc3o2)C1 ZINC000848923353 636693631 /nfs/dbraw/zinc/69/36/31/636693631.db2.gz CDCQLQRLJKPPTB-CYBMUJFWSA-N 1 1 269.344 3.287 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cccc(OCC=C)c2)C1 ZINC000848923521 636693966 /nfs/dbraw/zinc/69/39/66/636693966.db2.gz MEXZJZGYRBYMTQ-HNNXBMFYSA-N 1 1 255.361 3.097 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc(OC)c(OC)c2Cl)C1 ZINC000848923264 636694529 /nfs/dbraw/zinc/69/45/29/636694529.db2.gz CBDNESZJFZSGKU-LBPRGKRZSA-N 1 1 293.794 3.202 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2Cl)C1 ZINC000848923264 636694532 /nfs/dbraw/zinc/69/45/32/636694532.db2.gz CBDNESZJFZSGKU-LBPRGKRZSA-N 1 1 293.794 3.202 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000848924274 636695219 /nfs/dbraw/zinc/69/52/19/636695219.db2.gz OZJMODHYPBEWLQ-IQIBNGDESA-N 1 1 268.404 3.111 20 30 CGEDMO N#Cc1ccc(C2([NH2+]Cc3cc(F)ncc3F)CCC2)cc1 ZINC000848925489 636697396 /nfs/dbraw/zinc/69/73/96/636697396.db2.gz FAJLVVQNXYOQPH-UHFFFAOYSA-N 1 1 299.324 3.400 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(OCC)c(F)c2)C1 ZINC000848924723 636697606 /nfs/dbraw/zinc/69/76/06/636697606.db2.gz YWGCYJCEZGTORO-CYBMUJFWSA-N 1 1 261.340 3.070 20 30 CGEDMO C=C(Cl)CNc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000849314104 636805212 /nfs/dbraw/zinc/80/52/12/636805212.db2.gz YTHWLYRHTQZEMP-OKILXGFUSA-N 1 1 294.826 3.460 20 30 CGEDMO NC(CCc1ccccc1)=[NH+]OCc1cnc(Cl)s1 ZINC000134687810 637034915 /nfs/dbraw/zinc/03/49/15/637034915.db2.gz OGHHCYHCEXLAPJ-UHFFFAOYSA-N 1 1 295.795 3.218 20 30 CGEDMO C=CC(C)(C)CC(=O)OCCCCn1cc[nH+]c1C ZINC000884649366 637109414 /nfs/dbraw/zinc/10/94/14/637109414.db2.gz BBXCPNCZNLTKOX-UHFFFAOYSA-N 1 1 264.369 3.117 20 30 CGEDMO CCS[C@H]1CCCC[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886005689 637354730 /nfs/dbraw/zinc/35/47/30/637354730.db2.gz IBARTWIYMZPJFJ-CABCVRRESA-N 1 1 296.480 3.039 20 30 CGEDMO CC(C)(C)C[C@@H]1CC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886238725 637467193 /nfs/dbraw/zinc/46/71/93/637467193.db2.gz GVOXOXSLUJIOHD-GJZGRUSLSA-N 1 1 278.440 3.189 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1F)[C@H]1CC[C@@H](OC)C1 ZINC000851734554 637483611 /nfs/dbraw/zinc/48/36/11/637483611.db2.gz UORUTVBDPMVMLF-LSDHHAIUSA-N 1 1 263.356 3.381 20 30 CGEDMO N#CC1CC[NH+](CCSc2ccc(F)cc2F)CC1 ZINC000851740356 637488874 /nfs/dbraw/zinc/48/88/74/637488874.db2.gz PNQNHKICNBICAY-UHFFFAOYSA-N 1 1 282.359 3.292 20 30 CGEDMO C[C@@H](C[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1)C(C)(C)C ZINC000886314362 637495875 /nfs/dbraw/zinc/49/58/75/637495875.db2.gz VTPHNUWOXCJRNI-KBPBESRZSA-N 1 1 266.429 3.045 20 30 CGEDMO C#CCOCC[N@@H+]1CC[C@@H](C)C[C@@H]1c1ccc(C)o1 ZINC000851792197 637505437 /nfs/dbraw/zinc/50/54/37/637505437.db2.gz JMQBHGFNMDOQDS-UKRRQHHQSA-N 1 1 261.365 3.011 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000886356058 637511314 /nfs/dbraw/zinc/51/13/14/637511314.db2.gz SNPKELSXLFZDRG-GFCCVEGCSA-N 1 1 256.374 3.142 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000886356213 637511353 /nfs/dbraw/zinc/51/13/53/637511353.db2.gz WDASWXZMZMFQBV-ZDUSSCGKSA-N 1 1 284.334 3.326 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000886357749 637511680 /nfs/dbraw/zinc/51/16/80/637511680.db2.gz LFTLLMSEGMCZFF-LLVKDONJSA-N 1 1 278.739 3.093 20 30 CGEDMO C#CC[C@@H]1CC[N@H+]([C@@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC000886357824 637512899 /nfs/dbraw/zinc/51/28/99/637512899.db2.gz MHPLQTHCBDGRLD-LSDHHAIUSA-N 1 1 295.386 3.451 20 30 CGEDMO C#C[C@](C)(CC)[NH2+][C@@H](C)c1nnc(-c2cccs2)o1 ZINC000852098913 637592724 /nfs/dbraw/zinc/59/27/24/637592724.db2.gz ZDWCHGQSZCRXAT-IINYFYTJSA-N 1 1 275.377 3.251 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886686788 637652607 /nfs/dbraw/zinc/65/26/07/637652607.db2.gz XPNVOTQNEOKBOT-WMLDXEAASA-N 1 1 292.386 3.289 20 30 CGEDMO CSc1ccc(C[NH2+][C@@H]2CCCn3ccnc32)cc1C#N ZINC000886690023 637653990 /nfs/dbraw/zinc/65/39/90/637653990.db2.gz NCFPOFIOEOFKMT-CQSZACIVSA-N 1 1 298.415 3.101 20 30 CGEDMO Cc1csc(C[C@H]2CCC[N@@H+](CCCC#N)C2)n1 ZINC000886691974 637657230 /nfs/dbraw/zinc/65/72/30/637657230.db2.gz PZODJYGAKDVADI-CYBMUJFWSA-N 1 1 263.410 3.010 20 30 CGEDMO C=CC[N@@H+](CC1CCC2(CC1)OCCO2)C(C)(C)C ZINC000852554162 637677426 /nfs/dbraw/zinc/67/74/26/637677426.db2.gz FAIVSCXKBGVXCX-UHFFFAOYSA-N 1 1 267.413 3.206 20 30 CGEDMO CCCCCCC[N@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000852755582 637706114 /nfs/dbraw/zinc/70/61/14/637706114.db2.gz UNONAAINUCSHBO-UHFFFAOYSA-N 1 1 274.408 3.114 20 30 CGEDMO C[N@@H+](CCCF)Cc1cc(Cl)ccc1OCC#N ZINC000887139054 637758253 /nfs/dbraw/zinc/75/82/53/637758253.db2.gz YIMMFEVMIGKWHC-UHFFFAOYSA-N 1 1 270.735 3.034 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cn2ncc(Cl)c2C2CC2)C1 ZINC000853519019 637859932 /nfs/dbraw/zinc/85/99/32/637859932.db2.gz WVKWYEVRRVZWJF-GFCCVEGCSA-N 1 1 277.799 3.107 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cn2ncc(Cl)c2C2CC2)C1 ZINC000853519019 637859936 /nfs/dbraw/zinc/85/99/36/637859936.db2.gz WVKWYEVRRVZWJF-GFCCVEGCSA-N 1 1 277.799 3.107 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cn2nccc2-c2cccnc2)C1 ZINC000853537123 637863611 /nfs/dbraw/zinc/86/36/11/637863611.db2.gz PMNWCFNKCCJOTA-OAHLLOKOSA-N 1 1 282.391 3.191 20 30 CGEDMO Cn1c[nH+]cc1CCON=Cc1ccc(C(C)(C)C)cc1 ZINC000853636865 637878295 /nfs/dbraw/zinc/87/82/95/637878295.db2.gz KJEHTGCSSSUFFV-UHFFFAOYSA-N 1 1 285.391 3.311 20 30 CGEDMO C[C@H]1C[C@H]1C(N)=[NH+]OCc1ccc(C#N)cc1C(F)(F)F ZINC000853730306 637903573 /nfs/dbraw/zinc/90/35/73/637903573.db2.gz DZDAVQGIPOSYKV-GZMMTYOYSA-N 1 1 297.280 3.232 20 30 CGEDMO CCC[N@@H+](C)CC(C)(C)Nc1snc(Cl)c1C#N ZINC000853969030 637966269 /nfs/dbraw/zinc/96/62/69/637966269.db2.gz NMBNMBKYDNBREK-UHFFFAOYSA-N 1 1 286.832 3.200 20 30 CGEDMO CCCCCCCC(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000854736301 638097095 /nfs/dbraw/zinc/09/70/95/638097095.db2.gz DWKKSWABMZDROJ-KRWDZBQOSA-N 1 1 280.456 3.291 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000889725662 638106143 /nfs/dbraw/zinc/10/61/43/638106143.db2.gz IZZSPWGCCZNZPA-QGZVFWFLSA-N 1 1 284.403 3.036 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000889725662 638106146 /nfs/dbraw/zinc/10/61/46/638106146.db2.gz IZZSPWGCCZNZPA-QGZVFWFLSA-N 1 1 284.403 3.036 20 30 CGEDMO CC(C)n1cc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)nn1 ZINC000925185267 638469392 /nfs/dbraw/zinc/46/93/92/638469392.db2.gz JNTHDSPQLHUXRQ-QWHCGFSZSA-N 1 1 283.379 3.142 20 30 CGEDMO CO[C@@H](C)c1nc(C[NH2+][C@H](C)CC(C)(C)C#N)cs1 ZINC000925238088 638482863 /nfs/dbraw/zinc/48/28/63/638482863.db2.gz SANTWJCOUQPVJV-MNOVXSKESA-N 1 1 281.425 3.268 20 30 CGEDMO C=C(C)CCNC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000857278117 638486982 /nfs/dbraw/zinc/48/69/82/638486982.db2.gz KXBNFRMWMIAGNI-QGZVFWFLSA-N 1 1 286.419 3.192 20 30 CGEDMO C=CC[C@@H](C)[C@H](C)[N@H+]1CCOc2ccc(N)cc2C1 ZINC000925753138 638596266 /nfs/dbraw/zinc/59/62/66/638596266.db2.gz NGXPSGDSMMCKRZ-OLZOCXBDSA-N 1 1 260.381 3.064 20 30 CGEDMO C#CCOc1cc(F)ccc1N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858391513 638702272 /nfs/dbraw/zinc/70/22/72/638702272.db2.gz JXRNMULVYMTBCL-CQSZACIVSA-N 1 1 290.382 3.122 20 30 CGEDMO CC(C)CCN1CCC([NH2+][C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000926511816 638779952 /nfs/dbraw/zinc/77/99/52/638779952.db2.gz HFGSUZWAOWHLNI-RDJZCZTQSA-N 1 1 277.456 3.169 20 30 CGEDMO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)C(F)(F)c1ccccc1 ZINC000926611084 638791001 /nfs/dbraw/zinc/79/10/01/638791001.db2.gz IQPJVIYAXNZPJD-YDHLFZDLSA-N 1 1 281.346 3.348 20 30 CGEDMO N#CC1(CN[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CCCCC1 ZINC000926711364 638802073 /nfs/dbraw/zinc/80/20/73/638802073.db2.gz MWMUQBMWZMHYCM-CVEARBPZSA-N 1 1 275.440 3.067 20 30 CGEDMO N#CC1(CN[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CCCCC1 ZINC000926711364 638802076 /nfs/dbraw/zinc/80/20/76/638802076.db2.gz MWMUQBMWZMHYCM-CVEARBPZSA-N 1 1 275.440 3.067 20 30 CGEDMO CCc1onc(C)c1C[NH2+][C@@H](CC)c1cccc(C#N)c1O ZINC000927131324 638846318 /nfs/dbraw/zinc/84/63/18/638846318.db2.gz JJHAZWQCEMBRNA-HNNXBMFYSA-N 1 1 299.374 3.364 20 30 CGEDMO CC(C)c1[nH+]ccn1CC(=O)Nc1ccc(CCC#N)cc1 ZINC000928401307 638880705 /nfs/dbraw/zinc/88/07/05/638880705.db2.gz SOHWBRALUODQMZ-UHFFFAOYSA-N 1 1 296.374 3.101 20 30 CGEDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1CCCCC1(C#N)CCC1 ZINC000929270312 638913587 /nfs/dbraw/zinc/91/35/87/638913587.db2.gz NLMXDVWUFBLDMD-LSDHHAIUSA-N 1 1 264.413 3.350 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCOc3ccccc3C2)CC1 ZINC000929313888 638918040 /nfs/dbraw/zinc/91/80/40/638918040.db2.gz KACVPIKWMCFJBS-UHFFFAOYSA-N 1 1 270.376 3.211 20 30 CGEDMO CC[N@@H+](Cc1c(C)cc(C#N)cc1C)C[C@@H](C)C#N ZINC000929429598 638924870 /nfs/dbraw/zinc/92/48/70/638924870.db2.gz OBZPBQURSUFQGR-LBPRGKRZSA-N 1 1 255.365 3.157 20 30 CGEDMO CC[N@H+](Cc1c(C)cc(C#N)cc1C)C[C@@H](C)C#N ZINC000929429598 638924871 /nfs/dbraw/zinc/92/48/71/638924871.db2.gz OBZPBQURSUFQGR-LBPRGKRZSA-N 1 1 255.365 3.157 20 30 CGEDMO CC[N@@H+](CCCCC1(C#N)CCC1)Cc1cnn(C)c1 ZINC000929464694 638926408 /nfs/dbraw/zinc/92/64/08/638926408.db2.gz PLZWMGWJWSJXMB-UHFFFAOYSA-N 1 1 274.412 3.106 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCC[C@H](n3ccnc3)C2)CCC1 ZINC000929527102 638930275 /nfs/dbraw/zinc/93/02/75/638930275.db2.gz CKKOTAJSBRXEEG-INIZCTEOSA-N 1 1 286.423 3.384 20 30 CGEDMO C[C@@H]1c2ccccc2CC[N@H+]1Cc1cncc(C#N)c1 ZINC000929596530 638932979 /nfs/dbraw/zinc/93/29/79/638932979.db2.gz HDKGCAJQFPJOJR-CYBMUJFWSA-N 1 1 263.344 3.073 20 30 CGEDMO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1cncc(C#N)c1 ZINC000929596530 638932981 /nfs/dbraw/zinc/93/29/81/638932981.db2.gz HDKGCAJQFPJOJR-CYBMUJFWSA-N 1 1 263.344 3.073 20 30 CGEDMO C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@@H+](C)C[C@H](O)CC#N ZINC000929771254 638949378 /nfs/dbraw/zinc/94/93/78/638949378.db2.gz CKIVOLFERVDQSO-LALPHHSUSA-N 1 1 280.799 3.038 20 30 CGEDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1cncc(C#N)c1 ZINC000929812483 638953774 /nfs/dbraw/zinc/95/37/74/638953774.db2.gz LGMQYBOCNLYVNK-RDTXWAMCSA-N 1 1 277.371 3.331 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCC[C@H](c3ncc[nH]3)C2)CCC1 ZINC000929992887 638967117 /nfs/dbraw/zinc/96/71/17/638967117.db2.gz XNDNFXWUAXSPET-HNNXBMFYSA-N 1 1 286.423 3.453 20 30 CGEDMO CCOC(=O)[C@@H]([NH2+]CCCCC1(C#N)CCC1)C(C)(C)C ZINC000930032061 638970101 /nfs/dbraw/zinc/97/01/01/638970101.db2.gz NMBBQFJVSULSSF-CQSZACIVSA-N 1 1 294.439 3.418 20 30 CGEDMO C[N@@H+](Cc1cc(Cl)cc(C#N)c1)[C@H](CO)C(C)(C)C ZINC000930057332 638971455 /nfs/dbraw/zinc/97/14/55/638971455.db2.gz SDVYKTQBCFNODJ-CQSZACIVSA-N 1 1 280.799 3.050 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000930264783 638986815 /nfs/dbraw/zinc/98/68/15/638986815.db2.gz RLOKPRPTUCFTBW-KRWDZBQOSA-N 1 1 280.375 3.235 20 30 CGEDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000930266948 638987081 /nfs/dbraw/zinc/98/70/81/638987081.db2.gz DDAODASQFQBGDT-MLGOLLRUSA-N 1 1 292.810 3.337 20 30 CGEDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](CCCCC4(C#N)CCC4)[C@H]1[C@H]3C2 ZINC000930452158 639001647 /nfs/dbraw/zinc/00/16/47/639001647.db2.gz KHMILAIKRLEVRG-QUSNUVHPSA-N 1 1 288.435 3.206 20 30 CGEDMO COCC(C)(C)[N@@H+](C)Cc1c(C)cc(C#N)cc1C ZINC000930553646 639024326 /nfs/dbraw/zinc/02/43/26/639024326.db2.gz BUGNLYREWWKRTG-UHFFFAOYSA-N 1 1 260.381 3.032 20 30 CGEDMO COC[C@@]1(C)CC[N@@H+](Cc2c(C)cc(C#N)cc2C)C1 ZINC000930603054 639036037 /nfs/dbraw/zinc/03/60/37/639036037.db2.gz HPRSFIXSEPBRLV-KRWDZBQOSA-N 1 1 272.392 3.034 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000930650788 639046820 /nfs/dbraw/zinc/04/68/20/639046820.db2.gz NWAYKAMTHCKUJZ-MRXNPFEDSA-N 1 1 286.419 3.158 20 30 CGEDMO CCN1CCC[N@@H+](CCCCC2(C#N)CCC2)[C@@H](C)C1 ZINC000930709577 639057810 /nfs/dbraw/zinc/05/78/10/639057810.db2.gz CXCQAAAFERYPPO-INIZCTEOSA-N 1 1 277.456 3.267 20 30 CGEDMO CC[N@@H+]1CCCN(CCCCC2(C#N)CCC2)[C@@H](C)C1 ZINC000930709577 639057811 /nfs/dbraw/zinc/05/78/11/639057811.db2.gz CXCQAAAFERYPPO-INIZCTEOSA-N 1 1 277.456 3.267 20 30 CGEDMO CC[N@H+]1CCCN(CCCCC2(C#N)CCC2)[C@@H](C)C1 ZINC000930709577 639057812 /nfs/dbraw/zinc/05/78/12/639057812.db2.gz CXCQAAAFERYPPO-INIZCTEOSA-N 1 1 277.456 3.267 20 30 CGEDMO C[C@@]1(c2cccc(F)c2)CC[N@@H+](Cc2cncc(C#N)c2)C1 ZINC000930845059 639075014 /nfs/dbraw/zinc/07/50/14/639075014.db2.gz FSDKEXDJVBBACQ-GOSISDBHSA-N 1 1 295.361 3.256 20 30 CGEDMO C=CC1(CC(=O)NC[C@@H]2CCC[N@H+](CC)C2)CCCCC1 ZINC000931125750 639115092 /nfs/dbraw/zinc/11/50/92/639115092.db2.gz KOOUGISMZYWWDZ-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](c3c[nH]c4ncccc34)C2)C1 ZINC000931371603 639141573 /nfs/dbraw/zinc/14/15/73/639141573.db2.gz CWHHFWNMFFEKBR-RBSFLKMASA-N 1 1 294.402 3.435 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccnc(Br)c2)C1 ZINC000859445530 639142884 /nfs/dbraw/zinc/14/28/84/639142884.db2.gz KKWBXBBYYCKVHL-LLVKDONJSA-N 1 1 281.197 3.242 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(=O)oc3cc(OC)ccc23)C1 ZINC000859445461 639142980 /nfs/dbraw/zinc/14/29/80/639142980.db2.gz PAFJIVPQWSHLRI-CYBMUJFWSA-N 1 1 299.370 3.200 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cc(=O)oc3cc(OC)ccc23)C1 ZINC000859445463 639143055 /nfs/dbraw/zinc/14/30/55/639143055.db2.gz PAFJIVPQWSHLRI-ZDUSSCGKSA-N 1 1 299.370 3.200 20 30 CGEDMO N#CCCCC[N@@H+]1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1 ZINC000931395315 639145330 /nfs/dbraw/zinc/14/53/30/639145330.db2.gz SUQUGZDRHZDDNA-QGZVFWFLSA-N 1 1 298.365 3.190 20 30 CGEDMO N#CCCCC[N@H+]1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1 ZINC000931395315 639145334 /nfs/dbraw/zinc/14/53/34/639145334.db2.gz SUQUGZDRHZDDNA-QGZVFWFLSA-N 1 1 298.365 3.190 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)CC1CCC(C#N)CC1 ZINC000931510012 639162380 /nfs/dbraw/zinc/16/23/80/639162380.db2.gz RZLVZDANPKNUFR-UHFFFAOYSA-N 1 1 281.403 3.363 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CC[C@]3(CCc4ccccc43)C2)c1 ZINC000931611789 639179641 /nfs/dbraw/zinc/17/96/41/639179641.db2.gz RHSDJFAEPRDIOZ-LJQANCHMSA-N 1 1 289.382 3.043 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)c1 ZINC000931746631 639199043 /nfs/dbraw/zinc/19/90/43/639199043.db2.gz QFKDTJYJBLXHON-BETUJISGSA-N 1 1 278.808 3.006 20 30 CGEDMO C=C(CC)C[N@H+]1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC000931797280 639207364 /nfs/dbraw/zinc/20/73/64/639207364.db2.gz UQFKOVZQEZTGSG-QGZVFWFLSA-N 1 1 267.376 3.323 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000931925410 639234251 /nfs/dbraw/zinc/23/42/51/639234251.db2.gz KDZGFRJFTIBWGW-RBUKOAKNSA-N 1 1 274.367 3.332 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000932198147 639292978 /nfs/dbraw/zinc/29/29/78/639292978.db2.gz JECDAKPEQLQQOR-CYBMUJFWSA-N 1 1 250.411 3.364 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](Cc3nccs3)C2)C1 ZINC000932200581 639296121 /nfs/dbraw/zinc/29/61/21/639296121.db2.gz GMDRTICTPHHNTL-MCIONIFRSA-N 1 1 275.421 3.090 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000932200571 639296180 /nfs/dbraw/zinc/29/61/80/639296180.db2.gz GGCMWAAVKCUZKH-CYBMUJFWSA-N 1 1 277.437 3.337 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCn3cccc3C2)CCC1 ZINC000932527014 639346069 /nfs/dbraw/zinc/34/60/69/639346069.db2.gz OIAMBPXGHVPCSG-UHFFFAOYSA-N 1 1 257.381 3.168 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000932697565 639374585 /nfs/dbraw/zinc/37/45/85/639374585.db2.gz NJDONEOHFBKLCT-KBPBESRZSA-N 1 1 282.428 3.188 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@]1(C)Cc1cccs1 ZINC000932927383 639401237 /nfs/dbraw/zinc/40/12/37/639401237.db2.gz QKAHGTDQOCMONY-DZGCQCFKSA-N 1 1 278.421 3.074 20 30 CGEDMO Cc1csc(C[C@@H]2CC[N@H+]([C@@H](C)CCC#N)C2)n1 ZINC000933129220 639422504 /nfs/dbraw/zinc/42/25/04/639422504.db2.gz JZCNCMTUDHEELX-STQMWFEESA-N 1 1 263.410 3.008 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCOC[C@@H]1CC1CC1 ZINC000933207041 639428357 /nfs/dbraw/zinc/42/83/57/639428357.db2.gz BFUJJQGDVDPSNY-HNNXBMFYSA-N 1 1 264.413 3.207 20 30 CGEDMO C[C@]1([NH2+]Cc2cc(C#N)ccc2F)CCOc2ccccc21 ZINC000933364248 639440746 /nfs/dbraw/zinc/44/07/46/639440746.db2.gz HLLTXUFJSYHCDY-SFHVURJKSA-N 1 1 296.345 3.485 20 30 CGEDMO C#CC[N@H+](Cc1cc[nH]c(=O)c1)[C@@H]1CCCc2ccccc21 ZINC000933420999 639448417 /nfs/dbraw/zinc/44/84/17/639448417.db2.gz ULEBVFZIVSDDRT-GOSISDBHSA-N 1 1 292.382 3.300 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933711291 639481907 /nfs/dbraw/zinc/48/19/07/639481907.db2.gz ATSCTVOHMIFUHX-VXGBXAGGSA-N 1 1 297.324 3.087 20 30 CGEDMO C[N@@H+](CCCC1CCOCC1)Cc1cc(C#N)cs1 ZINC000933771326 639488763 /nfs/dbraw/zinc/48/87/63/639488763.db2.gz FBGBWXZDOKRVED-UHFFFAOYSA-N 1 1 278.421 3.258 20 30 CGEDMO C[C@@H]1CSCCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000934301476 639575009 /nfs/dbraw/zinc/57/50/09/639575009.db2.gz VEZHAGXTDOZRAQ-LLVKDONJSA-N 1 1 264.369 3.025 20 30 CGEDMO C[C@H]1CSCCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000934301477 639575929 /nfs/dbraw/zinc/57/59/29/639575929.db2.gz VEZHAGXTDOZRAQ-NSHDSACASA-N 1 1 264.369 3.025 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000934458656 639612202 /nfs/dbraw/zinc/61/22/02/639612202.db2.gz BPAZNCLAKFVGLP-CABCVRRESA-N 1 1 294.439 3.284 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1cn2cc(Cl)ccc2n1 ZINC000934470929 639614946 /nfs/dbraw/zinc/61/49/46/639614946.db2.gz HGIYKBDEVSMTNZ-ZDUSSCGKSA-N 1 1 261.756 3.138 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1cn2cc(Cl)ccc2n1 ZINC000934470929 639614951 /nfs/dbraw/zinc/61/49/51/639614951.db2.gz HGIYKBDEVSMTNZ-ZDUSSCGKSA-N 1 1 261.756 3.138 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1cn(C)nc1C(F)F ZINC000934644444 639648922 /nfs/dbraw/zinc/64/89/22/639648922.db2.gz CBJKWHUBOCIXBJ-UHFFFAOYSA-N 1 1 257.328 3.146 20 30 CGEDMO C=CCCC[N@H+](CC)[C@@H](C)C(=O)Nc1cccnc1Cl ZINC000934648404 639650616 /nfs/dbraw/zinc/65/06/16/639650616.db2.gz OAUKINYEHRNESQ-LBPRGKRZSA-N 1 1 295.814 3.350 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000934649458 639650642 /nfs/dbraw/zinc/65/06/42/639650642.db2.gz AMHOTFIANMKSLG-OAHLLOKOSA-N 1 1 291.439 3.006 20 30 CGEDMO C#CC[N@H+](C)[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000192222875 640359745 /nfs/dbraw/zinc/35/97/45/640359745.db2.gz OBGGWUWQJMVLIY-JTQLQIEISA-N 1 1 257.255 3.211 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cn1cccnc1=S ZINC000194947179 640560246 /nfs/dbraw/zinc/56/02/46/640560246.db2.gz WIOLWFBFQPDNRH-UHFFFAOYSA-N 1 1 298.415 3.352 20 30 CGEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cn1cccnc1=S ZINC000194947179 640560250 /nfs/dbraw/zinc/56/02/50/640560250.db2.gz WIOLWFBFQPDNRH-UHFFFAOYSA-N 1 1 298.415 3.352 20 30 CGEDMO C[C@H](C1CC1)[N@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000245542407 640625552 /nfs/dbraw/zinc/62/55/52/640625552.db2.gz PMLXNSBKCHARLT-QWHCGFSZSA-N 1 1 258.365 3.208 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246092417 640657102 /nfs/dbraw/zinc/65/71/02/640657102.db2.gz HEYQKUFGIIFEDZ-LSDHHAIUSA-N 1 1 289.485 3.244 20 30 CGEDMO C=C(Cl)CN1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246283736 640669044 /nfs/dbraw/zinc/66/90/44/640669044.db2.gz CKOBTGBWLIIOPU-CABCVRRESA-N 1 1 270.848 3.325 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)Cc2ccccc2O)cc1 ZINC000091956711 640727973 /nfs/dbraw/zinc/72/79/73/640727973.db2.gz BZVYBTDJZCWGLL-AWEZNQCLSA-N 1 1 296.370 3.315 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)cc(Cl)c2)C1 ZINC001007944290 640945612 /nfs/dbraw/zinc/94/56/12/640945612.db2.gz RAFOXBOABHZKHM-OAHLLOKOSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)ccc2C2CC2)C1 ZINC001008052912 640947063 /nfs/dbraw/zinc/94/70/63/640947063.db2.gz PTDRZGFOKUARDP-INIZCTEOSA-N 1 1 298.430 3.253 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+](CCC(C)C)C2)CC1 ZINC001008416183 640950445 /nfs/dbraw/zinc/95/04/45/640950445.db2.gz GPKUVWPGEVFCIF-QGZVFWFLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2csc(Cl)c2)C1 ZINC001008750145 640952954 /nfs/dbraw/zinc/95/29/54/640952954.db2.gz UQKXHWMJRVHCFT-GFCCVEGCSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2Cl)C1 ZINC001009308039 640957210 /nfs/dbraw/zinc/95/72/10/640957210.db2.gz JSKVGBNAIWJIBK-ZDUSSCGKSA-N 1 1 292.810 3.110 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccccc2Cl)C1 ZINC001009295682 640957393 /nfs/dbraw/zinc/95/73/93/640957393.db2.gz MXNKARYSNABODP-CYBMUJFWSA-N 1 1 292.810 3.110 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccccc2Cl)C1 ZINC001009295683 640957887 /nfs/dbraw/zinc/95/78/87/640957887.db2.gz MXNKARYSNABODP-ZDUSSCGKSA-N 1 1 292.810 3.110 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC001009328170 640958966 /nfs/dbraw/zinc/95/89/66/640958966.db2.gz PBRGQYUSYDHEQC-KRWDZBQOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](NC(=O)c2oc3ccccc3c2C)C1 ZINC001009415903 640959328 /nfs/dbraw/zinc/95/93/28/640959328.db2.gz VOSYPARNJMTXNK-AWEZNQCLSA-N 1 1 298.386 3.121 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2oc3ccccc3c2C)C1 ZINC001009415903 640959331 /nfs/dbraw/zinc/95/93/31/640959331.db2.gz VOSYPARNJMTXNK-AWEZNQCLSA-N 1 1 298.386 3.121 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001009649153 640960099 /nfs/dbraw/zinc/96/00/99/640960099.db2.gz QAMYKEBXKTZWBN-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001009672768 640961813 /nfs/dbraw/zinc/96/18/13/640961813.db2.gz NRGITDKSSBBNLF-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2sc(C)cc2C)C1 ZINC001014591724 640973443 /nfs/dbraw/zinc/97/34/43/640973443.db2.gz VLOMXRAKUDIIEX-CQSZACIVSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CCC)cc2)C1 ZINC001015629456 640982973 /nfs/dbraw/zinc/98/29/73/640982973.db2.gz AUKVIASAOFPTGA-QGZVFWFLSA-N 1 1 286.419 3.019 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001015672068 640984138 /nfs/dbraw/zinc/98/41/38/640984138.db2.gz KTBCBCVNPGEMIA-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2c(C)cccc2C)C1 ZINC001015741849 640985533 /nfs/dbraw/zinc/98/55/33/640985533.db2.gz PFBRCOYKAPBDJZ-MRXNPFEDSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C(C)C)oc2C)C1 ZINC001015925719 640988721 /nfs/dbraw/zinc/98/87/21/640988721.db2.gz CACPFHVLAWUGOP-AWEZNQCLSA-N 1 1 290.407 3.092 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)c2cccc(C3CCC3)c2)C1 ZINC001015995612 640989596 /nfs/dbraw/zinc/98/95/96/640989596.db2.gz XLNRPBBXTUSXKQ-SFHVURJKSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2cc(C)c(C)s2)C1 ZINC001016212218 640994750 /nfs/dbraw/zinc/99/47/50/640994750.db2.gz UAQFWLWKFASOBA-CQSZACIVSA-N 1 1 292.448 3.135 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001016431615 640999373 /nfs/dbraw/zinc/99/93/73/640999373.db2.gz SLDGHYMQZAOXLR-AWEZNQCLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC001016425216 640999707 /nfs/dbraw/zinc/99/97/07/640999707.db2.gz SJCMZFPFQWXKRF-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1=CCCCC1 ZINC001017414054 641012409 /nfs/dbraw/zinc/01/24/09/641012409.db2.gz BWXANXOJSATMHT-CALCHBBNSA-N 1 1 288.435 3.128 20 30 CGEDMO CC(C)CC(N)=[NH+]OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116267596 641029110 /nfs/dbraw/zinc/02/91/10/641029110.db2.gz NAIMBNLVBNAHPO-UHFFFAOYSA-N 1 1 285.731 3.083 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001155343874 805573977 /nfs/dbraw/zinc/57/39/77/805573977.db2.gz UKFBYFCEVQAQQO-BRWVUGGUSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC12CC2 ZINC001155476778 805585080 /nfs/dbraw/zinc/58/50/80/805585080.db2.gz BZQDRXJDSNYIBI-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1csc(C)c1 ZINC001155850991 805614936 /nfs/dbraw/zinc/61/49/36/805614936.db2.gz PPTSEHZHQYDLLW-GFCCVEGCSA-N 1 1 280.437 3.073 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)c1csc(C)c1 ZINC001155850891 805615014 /nfs/dbraw/zinc/61/50/14/805615014.db2.gz KVWGJABXRFHJKK-CYBMUJFWSA-N 1 1 294.464 3.463 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)CC(C)C ZINC001156040599 805644910 /nfs/dbraw/zinc/64/49/10/805644910.db2.gz CZPGRSLEQIIGDQ-GXTWGEPZSA-N 1 1 288.863 3.248 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)CC(C)C ZINC001156040599 805644914 /nfs/dbraw/zinc/64/49/14/805644914.db2.gz CZPGRSLEQIIGDQ-GXTWGEPZSA-N 1 1 288.863 3.248 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC12CCCC2 ZINC001156218196 805667268 /nfs/dbraw/zinc/66/72/68/805667268.db2.gz FOPCMMVENVPHSC-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO COc1ccc(C)[nH+]c1N[C@@H](C)c1cccc(C#N)c1 ZINC001156874000 805744193 /nfs/dbraw/zinc/74/41/93/805744193.db2.gz SJMBBQBUSYZWTK-LBPRGKRZSA-N 1 1 267.332 3.443 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCCNc1cc(Cl)ncc1C#N ZINC001156929676 805756332 /nfs/dbraw/zinc/75/63/32/805756332.db2.gz ZMQTVLAHUCSMDM-GFCCVEGCSA-N 1 1 292.814 3.283 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)CC(C1CC1)C1CC1 ZINC001157145684 805784127 /nfs/dbraw/zinc/78/41/27/805784127.db2.gz IEUAYGABHCRLKY-CQSZACIVSA-N 1 1 292.467 3.215 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCCC1(C)C ZINC001157190576 805788220 /nfs/dbraw/zinc/78/82/20/805788220.db2.gz QMBBFXUEVPSWPZ-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCC ZINC001157441133 805811416 /nfs/dbraw/zinc/81/14/16/805811416.db2.gz LJQLDSJEYLFITH-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccco1 ZINC001157450701 805813663 /nfs/dbraw/zinc/81/36/63/805813663.db2.gz UFOSURXIGKFHOO-OAHLLOKOSA-N 1 1 290.407 3.172 20 30 CGEDMO CCCc1cc(C#N)c(NC2C[NH+](C(C)C)C2)nc1Cl ZINC001157531553 805827952 /nfs/dbraw/zinc/82/79/52/805827952.db2.gz OVCXAMFDYYROCU-UHFFFAOYSA-N 1 1 292.814 3.064 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)CC=C ZINC001157994802 805911534 /nfs/dbraw/zinc/91/15/34/805911534.db2.gz VGRNERWEGICCNF-QGZVFWFLSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC1CC1 ZINC001158011857 805913158 /nfs/dbraw/zinc/91/31/58/805913158.db2.gz RZYHZEZHFBXMDK-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@H]1C=CCCC1 ZINC001158113825 805922587 /nfs/dbraw/zinc/92/25/87/805922587.db2.gz XCDUSFGOLSCOJO-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CC1(C)CC1 ZINC001158233960 805930081 /nfs/dbraw/zinc/93/00/81/805930081.db2.gz VBPMYNAXWPWJLS-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](F)C(C)C ZINC001158349747 805942947 /nfs/dbraw/zinc/94/29/47/805942947.db2.gz IPKPZUFCYHOLFR-CVEARBPZSA-N 1 1 298.446 3.260 20 30 CGEDMO C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCCCC(C)C ZINC001158616826 805978533 /nfs/dbraw/zinc/97/85/33/805978533.db2.gz VQVHMNNQFNUHOX-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@H]1COC ZINC001252121092 806008190 /nfs/dbraw/zinc/00/81/90/806008190.db2.gz CELHAYOWIZBIBW-HOTGVXAUSA-N 1 1 271.445 3.209 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCCC[C@](C)(O)C1 ZINC001252124338 806013443 /nfs/dbraw/zinc/01/34/43/806013443.db2.gz QSPWUJAPGZGTMN-IRXDYDNUSA-N 1 1 285.472 3.335 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+](C)Cc1cc(C)nn1C ZINC001252128618 806015912 /nfs/dbraw/zinc/01/59/12/806015912.db2.gz PFSIJUBIYJXCJW-QGZVFWFLSA-N 1 1 295.471 3.272 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+](C)Cc1cnc(C)nc1 ZINC001252130865 806018056 /nfs/dbraw/zinc/01/80/56/806018056.db2.gz ZMBQTJRQAJVVMX-KRWDZBQOSA-N 1 1 293.455 3.328 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@H](C)C1CC1 ZINC001158928299 806024232 /nfs/dbraw/zinc/02/42/32/806024232.db2.gz SKIBYZHMRDLBPH-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO CCCCCCCC[C@H](O)C[NH2+]Cc1ncc(C#N)s1 ZINC001252140176 806024932 /nfs/dbraw/zinc/02/49/32/806024932.db2.gz MMXUKZJNTNJDBE-ZDUSSCGKSA-N 1 1 295.452 3.216 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)CC(C)C)CC1 ZINC001159111422 806042660 /nfs/dbraw/zinc/04/26/60/806042660.db2.gz ODVAOCXYJKUVHC-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO N#Cc1cc(Cc2ccccc2)sc1NC1=CC[NH2+]CC1 ZINC001159129968 806046048 /nfs/dbraw/zinc/04/60/48/806046048.db2.gz JLYNBZPZBMDATM-UHFFFAOYSA-N 1 1 295.411 3.500 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)c2ccccc2C)CC1 ZINC001159124790 806047028 /nfs/dbraw/zinc/04/70/28/806047028.db2.gz YFHXPSDQKHVERQ-UHFFFAOYSA-N 1 1 298.430 3.323 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1CC[C@H](c2ccccc2Cl)C1 ZINC001252554949 806064095 /nfs/dbraw/zinc/06/40/95/806064095.db2.gz NCRIPTJCIHNAAK-WFASDCNBSA-N 1 1 265.784 3.066 20 30 CGEDMO C=C[C@](C)(O)C[N@@H+]1CCCC[C@H]1c1cccc(OC)c1 ZINC001252555638 806064110 /nfs/dbraw/zinc/06/41/10/806064110.db2.gz ZGEOTGWSNINIQK-IRXDYDNUSA-N 1 1 275.392 3.159 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1c1cc(F)ccc1F ZINC001252599795 806080133 /nfs/dbraw/zinc/08/01/33/806080133.db2.gz JYGLGOLUTMUYEU-CZUORRHYSA-N 1 1 281.346 3.429 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](Cc1ccccc1)[C@@H](C)c1cc[nH]n1 ZINC001252602918 806082981 /nfs/dbraw/zinc/08/29/81/806082981.db2.gz IDVAEULJWVTKES-DOTOQJQBSA-N 1 1 299.418 3.300 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](Cc1ccccc1)[C@@H](C)c1cc[nH]n1 ZINC001252602918 806082990 /nfs/dbraw/zinc/08/29/90/806082990.db2.gz IDVAEULJWVTKES-DOTOQJQBSA-N 1 1 299.418 3.300 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CCNC(=O)/C(C)=C/CC)CC1 ZINC001159457340 806104983 /nfs/dbraw/zinc/10/49/83/806104983.db2.gz CEAKALCMKUQTSZ-LZYBPNLTSA-N 1 1 290.451 3.447 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CO2 ZINC001252986997 806147861 /nfs/dbraw/zinc/14/78/61/806147861.db2.gz ZDUPOIPJSQVCOL-ULQDDVLXSA-N 1 1 283.456 3.351 20 30 CGEDMO CCCC[C@@H](CC)COC[C@H](O)C[N@H+](CCC)CCC#N ZINC001253007572 806153134 /nfs/dbraw/zinc/15/31/34/806153134.db2.gz REIZHNAHVVQQEO-IAGOWNOFSA-N 1 1 298.471 3.206 20 30 CGEDMO CCCC[C@@H](CC)COC[C@H](O)C[N@@H+](CCC)CCC#N ZINC001253007572 806153137 /nfs/dbraw/zinc/15/31/37/806153137.db2.gz REIZHNAHVVQQEO-IAGOWNOFSA-N 1 1 298.471 3.206 20 30 CGEDMO C[C@](O)(C[N@@H+](CCC#N)C1CCCC1)c1ccccc1 ZINC001253099978 806166221 /nfs/dbraw/zinc/16/62/21/806166221.db2.gz CRRCRDUEVWBECP-KRWDZBQOSA-N 1 1 272.392 3.052 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+](C)CCN(CC)CC ZINC001253226938 806184306 /nfs/dbraw/zinc/18/43/06/806184306.db2.gz COPAQRKWEOMWPD-QGZVFWFLSA-N 1 1 284.488 3.148 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+](C)CCN(CC)CC ZINC001253226938 806184313 /nfs/dbraw/zinc/18/43/13/806184313.db2.gz COPAQRKWEOMWPD-QGZVFWFLSA-N 1 1 284.488 3.148 20 30 CGEDMO C#CCCCCC(=O)NCCC1=CC[N@@H+](CCCC)CC1 ZINC001159859457 806186764 /nfs/dbraw/zinc/18/67/64/806186764.db2.gz QLAJZTHEHLMQQL-UHFFFAOYSA-N 1 1 290.451 3.119 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1C[C@@H](F)C[C@H]1C ZINC001253234163 806188975 /nfs/dbraw/zinc/18/89/75/806188975.db2.gz VRPDAAZVMCYINT-QLFBSQMISA-N 1 1 257.393 3.306 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001253237368 806189268 /nfs/dbraw/zinc/18/92/68/806189268.db2.gz XZXCPGOMXPFKBL-KZNAEPCWSA-N 1 1 295.467 3.375 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@@](C)(CO)CC1 ZINC001253233980 806189285 /nfs/dbraw/zinc/18/92/85/806189285.db2.gz RHVWNWGTEQRKJB-ZWKOTPCHSA-N 1 1 297.483 3.358 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1CC[C@H](N(C)C2CC2)C1 ZINC001253242833 806192269 /nfs/dbraw/zinc/19/22/69/806192269.db2.gz OVGORTYKTDKZPI-ZWKOTPCHSA-N 1 1 294.483 3.042 20 30 CGEDMO C=CCCCCCC[C@@H](O)CN1CC[C@H]([N@H+](C)C2CC2)C1 ZINC001253242833 806192271 /nfs/dbraw/zinc/19/22/71/806192271.db2.gz OVGORTYKTDKZPI-ZWKOTPCHSA-N 1 1 294.483 3.042 20 30 CGEDMO C=CCCCCCC[C@@H](O)CN1CC[C@H]([N@@H+](C)C2CC2)C1 ZINC001253242833 806192276 /nfs/dbraw/zinc/19/22/76/806192276.db2.gz OVGORTYKTDKZPI-ZWKOTPCHSA-N 1 1 294.483 3.042 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC001253240715 806193053 /nfs/dbraw/zinc/19/30/53/806193053.db2.gz POWZSBAYCYRPNR-DLBZAZTESA-N 1 1 283.456 3.231 20 30 CGEDMO C=CCCCCCC[C@H](O)CN1CC[C@@H]([N@H+](C)C(C)C)C1 ZINC001253243164 806194382 /nfs/dbraw/zinc/19/43/82/806194382.db2.gz SJDQLVLPHMKNNB-MSOLQXFVSA-N 1 1 296.499 3.288 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CC[C@@H](N(C)C(C)C)C1 ZINC001253243164 806194385 /nfs/dbraw/zinc/19/43/85/806194385.db2.gz SJDQLVLPHMKNNB-MSOLQXFVSA-N 1 1 296.499 3.288 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@@H](N(C)C(C)C)C1 ZINC001253243164 806194391 /nfs/dbraw/zinc/19/43/91/806194391.db2.gz SJDQLVLPHMKNNB-MSOLQXFVSA-N 1 1 296.499 3.288 20 30 CGEDMO CCCCCCCCN(C)C[C@H](O)C[NH2+]C(C)(C)C ZINC001253390762 806214406 /nfs/dbraw/zinc/21/44/06/806214406.db2.gz AXWCFSQQUQWJFS-OAHLLOKOSA-N 1 1 272.477 3.028 20 30 CGEDMO C=C(C)CCC(=O)NCCC1=CC[N@@H+](C[C@@H](F)CC)CC1 ZINC001160264233 806245387 /nfs/dbraw/zinc/24/53/87/806245387.db2.gz JWXNTKSAOAYUJV-INIZCTEOSA-N 1 1 296.430 3.229 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)C(C)(C)C(=C)C)CC1 ZINC001160856459 806311047 /nfs/dbraw/zinc/31/10/47/806311047.db2.gz MJOIPYFHQVZWSQ-UHFFFAOYSA-N 1 1 290.451 3.303 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)[C@H]2C[C@@H]2C)CC1 ZINC001160909253 806319244 /nfs/dbraw/zinc/31/92/44/806319244.db2.gz DBSJNVIAOQFZHJ-ZOBUZTSGSA-N 1 1 290.451 3.136 20 30 CGEDMO C#CCCCCCC(=O)NCCC1=CC[N@@H+](CCC)CC1 ZINC001160927702 806323903 /nfs/dbraw/zinc/32/39/03/806323903.db2.gz ODGRWYWGHRJNPY-UHFFFAOYSA-N 1 1 290.451 3.119 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1ncnc2c1ccn2C(C)C ZINC001160953761 806328720 /nfs/dbraw/zinc/32/87/20/806328720.db2.gz JIUSFKIFNSDRFX-AWEZNQCLSA-N 1 1 299.422 3.075 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1nc(Cl)ccc1Cl ZINC001160953197 806329548 /nfs/dbraw/zinc/32/95/48/806329548.db2.gz WCVBPWNJLODNNG-JTQLQIEISA-N 1 1 286.206 3.451 20 30 CGEDMO C#CC[N@H+](Cc1cnc2ccccc2c1)CC1CC1 ZINC001254041059 806333438 /nfs/dbraw/zinc/33/34/38/806333438.db2.gz WOYMZLVGGRCPHZ-UHFFFAOYSA-N 1 1 250.345 3.080 20 30 CGEDMO Cc1nc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)ccc1CC#N ZINC001161187007 806357162 /nfs/dbraw/zinc/35/71/62/806357162.db2.gz KAQINDNPGPERGP-KRWDZBQOSA-N 1 1 298.434 3.133 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)CCC2(C)CC2)CC1 ZINC001161627134 806404576 /nfs/dbraw/zinc/40/45/76/806404576.db2.gz BYJHHRVSWSNDDT-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C[N@H+]1CCC[C@@H](N[C@](C)(C#N)c2ccccc2Cl)CC1 ZINC001254506635 806427435 /nfs/dbraw/zinc/42/74/35/806427435.db2.gz VZDSVNUEQIKEDU-CZUORRHYSA-N 1 1 291.826 3.153 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+]([C@@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC001254556598 806449939 /nfs/dbraw/zinc/44/99/39/806449939.db2.gz KUAUZGMIGASBDO-QWHCGFSZSA-N 1 1 278.396 3.310 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+]([C@@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC001254556598 806449945 /nfs/dbraw/zinc/44/99/45/806449945.db2.gz KUAUZGMIGASBDO-QWHCGFSZSA-N 1 1 278.396 3.310 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)c2ccc(C)cc2)CC1 ZINC001161771505 806451764 /nfs/dbraw/zinc/45/17/64/806451764.db2.gz NMSNPYQDFBJJGC-UHFFFAOYSA-N 1 1 298.430 3.323 20 30 CGEDMO C=CCCCC[N@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254608638 806460136 /nfs/dbraw/zinc/46/01/36/806460136.db2.gz ROIORTMBNKZREL-MRXNPFEDSA-N 1 1 274.364 3.350 20 30 CGEDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1CC[C@@H](C#N)C1 ZINC001254669338 806479698 /nfs/dbraw/zinc/47/96/98/806479698.db2.gz REQYMSHMZRBJRA-AEFFLSMTSA-N 1 1 283.419 3.411 20 30 CGEDMO Cc1cc(F)c(C#N)c(NCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC001162146184 806514464 /nfs/dbraw/zinc/51/44/64/806514464.db2.gz HFWQVHKCOTXZRP-LBPRGKRZSA-N 1 1 275.371 3.150 20 30 CGEDMO C=CCN(C)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255144070 806553326 /nfs/dbraw/zinc/55/33/26/806553326.db2.gz LIVJHALVEHLNPG-PIIMJCKOSA-N 1 1 270.420 3.300 20 30 CGEDMO C=CCN(C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255144070 806553328 /nfs/dbraw/zinc/55/33/28/806553328.db2.gz LIVJHALVEHLNPG-PIIMJCKOSA-N 1 1 270.420 3.300 20 30 CGEDMO C=CC[N@@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001255144070 806553332 /nfs/dbraw/zinc/55/33/32/806553332.db2.gz LIVJHALVEHLNPG-PIIMJCKOSA-N 1 1 270.420 3.300 20 30 CGEDMO C=CC[N@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001255144070 806553333 /nfs/dbraw/zinc/55/33/33/806553333.db2.gz LIVJHALVEHLNPG-PIIMJCKOSA-N 1 1 270.420 3.300 20 30 CGEDMO CC[C@H](CC#N)[N@H+](CC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001255173704 806566745 /nfs/dbraw/zinc/56/67/45/806566745.db2.gz DBFALKTXSYGITE-ZIAGYGMSSA-N 1 1 295.427 3.010 20 30 CGEDMO CC[C@H](CC#N)[N@@H+](CC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001255173704 806566753 /nfs/dbraw/zinc/56/67/53/806566753.db2.gz DBFALKTXSYGITE-ZIAGYGMSSA-N 1 1 295.427 3.010 20 30 CGEDMO CC[C@H](CC#N)N1CCC2(C[NH+](Cc3ccccc3)C2)CC1 ZINC001255176061 806570062 /nfs/dbraw/zinc/57/00/62/806570062.db2.gz VQNSJRNWRFVSIU-GOSISDBHSA-N 1 1 297.446 3.277 20 30 CGEDMO CC[C@H](CC#N)N1CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC001255176460 806570556 /nfs/dbraw/zinc/57/05/56/806570556.db2.gz BQYVAWWDDJDZLG-WMLDXEAASA-N 1 1 289.398 3.197 20 30 CGEDMO CCCC[N@@H+](CCC#N)C1CCC(C(=O)OCC)CC1 ZINC001255262012 806585412 /nfs/dbraw/zinc/58/54/12/806585412.db2.gz RPNJZQCVZIEQAG-UHFFFAOYSA-N 1 1 280.412 3.124 20 30 CGEDMO C=CC[N@H+](C1CCC(C(=O)OCC)CC1)C(C)(C)C ZINC001255264350 806586480 /nfs/dbraw/zinc/58/64/80/806586480.db2.gz JWDRXCKLMIVTDZ-UHFFFAOYSA-N 1 1 267.413 3.395 20 30 CGEDMO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1[C@H](C)CCCC ZINC001255328875 806614865 /nfs/dbraw/zinc/61/48/65/806614865.db2.gz NKDFQIFALRCTJW-GDBMZVCRSA-N 1 1 291.439 3.101 20 30 CGEDMO CCOC(=O)[C@H]1CCC[C@@H]([N@@H+](CCC#N)C2CCCC2)C1 ZINC001255368590 806626567 /nfs/dbraw/zinc/62/65/67/806626567.db2.gz UPMQWVKWZDCKKL-GOEBONIOSA-N 1 1 292.423 3.267 20 30 CGEDMO C[C@@]1(C#N)CCN([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255409957 806635709 /nfs/dbraw/zinc/63/57/09/806635709.db2.gz OAMSXZZMPLGTHU-OALUTQOASA-N 1 1 297.446 3.277 20 30 CGEDMO C#CCCCOC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000120092744 798988317 /nfs/dbraw/zinc/98/83/17/798988317.db2.gz XYVNHQZOTBBGTI-MRXNPFEDSA-N 1 1 273.376 3.026 20 30 CGEDMO C=CC[N@H+](C)CC(=O)Nc1ccc([C@H](C)CC)cc1 ZINC000121612878 798989078 /nfs/dbraw/zinc/98/90/78/798989078.db2.gz HBKQJBGSDYWJAI-CYBMUJFWSA-N 1 1 260.381 3.256 20 30 CGEDMO C=CC[N@@H+](C)CC(=O)Nc1ccc([C@H](C)CC)cc1 ZINC000121612878 798989076 /nfs/dbraw/zinc/98/90/76/798989076.db2.gz HBKQJBGSDYWJAI-CYBMUJFWSA-N 1 1 260.381 3.256 20 30 CGEDMO C[C@@H]([NH2+]CC(C)(C)C#N)c1ccc(OC(F)F)cc1 ZINC000122263508 798990512 /nfs/dbraw/zinc/99/05/12/798990512.db2.gz ZPIGNXHGSBNJSM-SNVBAGLBSA-N 1 1 268.307 3.488 20 30 CGEDMO C=CCc1cc(C[N@H+]2CCC[C@H](C)C2)c(O)c(OC)c1 ZINC000125224060 799000530 /nfs/dbraw/zinc/00/05/30/799000530.db2.gz HTBRZVFKPFEGAP-ZDUSSCGKSA-N 1 1 275.392 3.361 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CCSC[C@H]2C)cc1 ZINC000179664119 799109908 /nfs/dbraw/zinc/10/99/08/799109908.db2.gz ZNFJLJARXMEMFT-CQSZACIVSA-N 1 1 275.417 3.026 20 30 CGEDMO N#Cc1ccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000250914045 799163341 /nfs/dbraw/zinc/16/33/41/799163341.db2.gz YQKHCXDLOLUBRW-OLZOCXBDSA-N 1 1 275.783 3.250 20 30 CGEDMO CCOc1ccc(O)c(C=Nc2ccc3c(c2)C[N@@H+](C)C3)c1 ZINC000255033829 799169667 /nfs/dbraw/zinc/16/96/67/799169667.db2.gz NDJXBQSYMHJPRR-UHFFFAOYSA-N 1 1 296.370 3.487 20 30 CGEDMO CCOc1ccc(O)c(C=Nc2ccc3c(c2)C[N@H+](C)C3)c1 ZINC000255033829 799169673 /nfs/dbraw/zinc/16/96/73/799169673.db2.gz NDJXBQSYMHJPRR-UHFFFAOYSA-N 1 1 296.370 3.487 20 30 CGEDMO C[C@H](CSc1ccc(F)cc1)[N@@H+]1CC[C@@H](C#N)C1 ZINC001255745766 806731492 /nfs/dbraw/zinc/73/14/92/806731492.db2.gz ZMCHTAFMPUPYLB-NEPJUHHUSA-N 1 1 264.369 3.152 20 30 CGEDMO C[C@H](CSc1ccc(F)cc1)[N@H+]1CC[C@@H](C#N)C1 ZINC001255745766 806731499 /nfs/dbraw/zinc/73/14/99/806731499.db2.gz ZMCHTAFMPUPYLB-NEPJUHHUSA-N 1 1 264.369 3.152 20 30 CGEDMO CCCCOc1ccc(C[NH2+]CCC#N)cc1OCC ZINC000337975150 799275103 /nfs/dbraw/zinc/27/51/03/799275103.db2.gz JJFLXVUUUSUNBW-UHFFFAOYSA-N 1 1 276.380 3.267 20 30 CGEDMO CO[C@@H](C[N@H+](CCC#N)CC(C)C)c1ccccc1 ZINC000380868074 799367737 /nfs/dbraw/zinc/36/77/37/799367737.db2.gz GSIQBIYGXVPVAL-INIZCTEOSA-N 1 1 260.381 3.246 20 30 CGEDMO CO[C@@H](C[N@@H+](CCC#N)CC(C)C)c1ccccc1 ZINC000380868074 799367745 /nfs/dbraw/zinc/36/77/45/799367745.db2.gz GSIQBIYGXVPVAL-INIZCTEOSA-N 1 1 260.381 3.246 20 30 CGEDMO CC(C)C[C@@H]1CCC[N@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC000402198617 799560067 /nfs/dbraw/zinc/56/00/67/799560067.db2.gz IGJFPROBIYABDE-DLBZAZTESA-N 1 1 272.392 3.102 20 30 CGEDMO C[N@H+]1CCCC[C@H]1c1ccc(NC2=CC(=O)CCC2)nc1 ZINC001163453101 806764091 /nfs/dbraw/zinc/76/40/91/806764091.db2.gz QIANUWCFLHUAJR-INIZCTEOSA-N 1 1 285.391 3.287 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000686845881 799735708 /nfs/dbraw/zinc/73/57/08/799735708.db2.gz XLXYNFCRANLPCW-LBPRGKRZSA-N 1 1 292.345 3.360 20 30 CGEDMO Cc1ccc(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)s1 ZINC000703232507 799920245 /nfs/dbraw/zinc/92/02/45/799920245.db2.gz DETZSKZHXSAFDP-MRXNPFEDSA-N 1 1 286.400 3.094 20 30 CGEDMO CC(C)[N@H+](CCC#N)Cc1ccc2c(c1)C[C@H](C)O2 ZINC000720828656 800268006 /nfs/dbraw/zinc/26/80/06/800268006.db2.gz MLUUSXHKCPWYJH-ZDUSSCGKSA-N 1 1 258.365 3.134 20 30 CGEDMO CC(C)[N@@H+](CCC#N)Cc1ccc2c(c1)C[C@H](C)O2 ZINC000720828656 800268010 /nfs/dbraw/zinc/26/80/10/800268010.db2.gz MLUUSXHKCPWYJH-ZDUSSCGKSA-N 1 1 258.365 3.134 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCc3sccc3C2)cc1 ZINC000809542046 800443742 /nfs/dbraw/zinc/44/37/42/800443742.db2.gz BJMFBVBGMWZMNA-UHFFFAOYSA-N 1 1 253.370 3.288 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000809547453 800445702 /nfs/dbraw/zinc/44/57/02/800445702.db2.gz NPLDFNLVAFMHLN-IBGZPJMESA-N 1 1 295.357 3.381 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)cc1 ZINC000809547453 800445708 /nfs/dbraw/zinc/44/57/08/800445708.db2.gz NPLDFNLVAFMHLN-IBGZPJMESA-N 1 1 295.357 3.381 20 30 CGEDMO CC#CCC[N@@H+]1CCC[C@H]1c1cncc(Br)c1 ZINC000932248787 800655393 /nfs/dbraw/zinc/65/53/93/800655393.db2.gz KPRGEYFJHVTKER-AWEZNQCLSA-N 1 1 293.208 3.394 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@H]1c1cncc(Br)c1 ZINC000932248787 800655395 /nfs/dbraw/zinc/65/53/95/800655395.db2.gz KPRGEYFJHVTKER-AWEZNQCLSA-N 1 1 293.208 3.394 20 30 CGEDMO C#CC[N@@H+](Cc1cnc(-c2ccccc2)o1)C(C)C ZINC000932384804 800662544 /nfs/dbraw/zinc/66/25/44/800662544.db2.gz ZIHJUNIACXLMGH-UHFFFAOYSA-N 1 1 254.333 3.185 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1CC[C@@H]1Sc2ccccc2NC1=O ZINC000934460759 800678122 /nfs/dbraw/zinc/67/81/22/800678122.db2.gz QTGSZXPGIYGCDA-WFASDCNBSA-N 1 1 288.416 3.140 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1CC[C@H]1Sc2ccccc2NC1=O ZINC000934460754 800678133 /nfs/dbraw/zinc/67/81/33/800678133.db2.gz QTGSZXPGIYGCDA-SWLSCSKDSA-N 1 1 288.416 3.140 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001023389554 800710519 /nfs/dbraw/zinc/71/05/19/800710519.db2.gz XHLVPIWNJNNPQS-DLBZAZTESA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccoc1Cl ZINC001024415626 800727919 /nfs/dbraw/zinc/72/79/19/800727919.db2.gz YKFWGVYQURGMJY-LBPRGKRZSA-N 1 1 296.798 3.093 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@H]1CNC(=O)C12CCC(CC1)C2 ZINC001024514500 800729517 /nfs/dbraw/zinc/72/95/17/800729517.db2.gz ZRNNTERYGONSEC-PQUAAJSLSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccoc1CCC ZINC001024755906 800735471 /nfs/dbraw/zinc/73/54/71/800735471.db2.gz CEBWYKYQYXAQEB-AWEZNQCLSA-N 1 1 290.407 3.002 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CCCCCC2)C1 ZINC001025362482 800758382 /nfs/dbraw/zinc/75/83/82/800758382.db2.gz XKYKOJSJGSWBAO-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cscc2C)C1 ZINC001025380856 800759089 /nfs/dbraw/zinc/75/90/89/800759089.db2.gz KUOZYRKMRGLXSP-ZIAGYGMSSA-N 1 1 292.448 3.073 20 30 CGEDMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC(C)(C#N)C2)nc1 ZINC001163954783 806859317 /nfs/dbraw/zinc/85/93/17/806859317.db2.gz YXCMRKFTEIIIAL-MRXNPFEDSA-N 1 1 298.434 3.368 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)CC2CCCC2)C1 ZINC001027279094 800788177 /nfs/dbraw/zinc/78/81/77/800788177.db2.gz PCFBZDHFSBFDFZ-OAHLLOKOSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)CC2CCCC2)C1 ZINC001027279094 800788179 /nfs/dbraw/zinc/78/81/79/800788179.db2.gz PCFBZDHFSBFDFZ-OAHLLOKOSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@]2(C)CC=CCC2)C1 ZINC001027423965 800795022 /nfs/dbraw/zinc/79/50/22/800795022.db2.gz NJPWVFHIEQAKBY-FUHWJXTLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)CC2(C)CCCCC2)C1 ZINC001027488207 800797530 /nfs/dbraw/zinc/79/75/30/800797530.db2.gz OIGXKOLNNUZBLC-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2occc2C(C)C)C1 ZINC001027542605 800801086 /nfs/dbraw/zinc/80/10/86/800801086.db2.gz NMTBSDVWUGJJAE-AWEZNQCLSA-N 1 1 290.407 3.125 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[C@@H]([N@H+](C)CCC)C2)CC1 ZINC001027555622 800803472 /nfs/dbraw/zinc/80/34/72/800803472.db2.gz PQWQIHPYFOMXPU-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=Cc1ccc(C(=O)N2CCC[C@@H]([N@@H+](C)CC(=C)C)C2)cc1 ZINC001027588063 800804773 /nfs/dbraw/zinc/80/47/73/800804773.db2.gz SSKULWKHBICTKH-GOSISDBHSA-N 1 1 298.430 3.442 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)C(CC)(CC)CC)C1 ZINC001027629474 800808054 /nfs/dbraw/zinc/80/80/54/800808054.db2.gz GCQXHYOXNSUXHM-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001027688861 800812325 /nfs/dbraw/zinc/81/23/25/800812325.db2.gz BMKWTQQEZRSOPO-WMZOPIPTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccoc2C(C)C)C1 ZINC001027699100 800812649 /nfs/dbraw/zinc/81/26/49/800812649.db2.gz XVWXLBFHPRKHHI-AWEZNQCLSA-N 1 1 290.407 3.125 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)C2(C)CCC(C)CC2)C1 ZINC001027698959 800813867 /nfs/dbraw/zinc/81/38/67/800813867.db2.gz VPKAOFHAUAZVPF-PQUAAJSLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2cccc(C3CC3)c2)C1 ZINC001027697572 800814211 /nfs/dbraw/zinc/81/42/11/800814211.db2.gz ZGRCSVMYVXBRPZ-GOSISDBHSA-N 1 1 298.430 3.286 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1C(C)C ZINC001027917661 800825484 /nfs/dbraw/zinc/82/54/84/800825484.db2.gz CYWKKKAVIVHGIY-INIZCTEOSA-N 1 1 298.430 3.028 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C(C)C)oc1C ZINC001028234700 800836627 /nfs/dbraw/zinc/83/66/27/800836627.db2.gz DYWLBMQUYRTTDA-CQSZACIVSA-N 1 1 290.407 3.092 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC001028242741 800837313 /nfs/dbraw/zinc/83/73/13/800837313.db2.gz HWPSNYAZANUKQP-HZPDHXFCSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(C2CCC2)c1 ZINC001028257967 800838624 /nfs/dbraw/zinc/83/86/24/800838624.db2.gz JXSDFUYUDORZHK-GOSISDBHSA-N 1 1 298.430 3.334 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(C)ccc2C2CC2)C1 ZINC001028714058 800852530 /nfs/dbraw/zinc/85/25/30/800852530.db2.gz PXXGTUZHIXDGKQ-HNNXBMFYSA-N 1 1 298.430 3.110 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=C)C ZINC001029453848 800868719 /nfs/dbraw/zinc/86/87/19/800868719.db2.gz MYUGHMAVXJVCFT-SOLBZPMBSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)CC ZINC001029453751 800869155 /nfs/dbraw/zinc/86/91/55/800869155.db2.gz KAHVVKCVMDRIGL-XLMAVXFVSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)c2ccccc2C2CCC2)C1 ZINC001031326491 800909439 /nfs/dbraw/zinc/90/94/39/800909439.db2.gz ZMKAINQHCMVZEY-UHFFFAOYSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)cccc1C ZINC001032644390 800932579 /nfs/dbraw/zinc/93/25/79/800932579.db2.gz BRNAQHUGJMKXSQ-IRXDYDNUSA-N 1 1 298.430 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2sccc2Cl)C1 ZINC001033103470 800952197 /nfs/dbraw/zinc/95/21/97/800952197.db2.gz KUFLSBRDDWOLHR-NSHDSACASA-N 1 1 298.839 3.124 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC23CC3)C1 ZINC001033196906 800955144 /nfs/dbraw/zinc/95/51/44/800955144.db2.gz OFYVBLQMDSKYMT-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)c(C)c2)C1 ZINC001033634780 800972151 /nfs/dbraw/zinc/97/21/51/800972151.db2.gz XXSUHTWQRCNBLY-QGZVFWFLSA-N 1 1 286.419 3.026 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001033678512 800973900 /nfs/dbraw/zinc/97/39/00/800973900.db2.gz KSYZGBYDPHFEDR-FUHWJXTLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)C2(C)CCC(C)CC2)C1 ZINC001033698094 800975014 /nfs/dbraw/zinc/97/50/14/800975014.db2.gz MCHLKULXYAGZFW-PQUAAJSLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)C2CC(C(C)(C)C)C2)C1 ZINC001033706069 800977130 /nfs/dbraw/zinc/97/71/30/800977130.db2.gz VFEFUNMEEVHWLT-GPANFISMSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC23CCCC3)C1 ZINC001034016300 800993847 /nfs/dbraw/zinc/99/38/47/800993847.db2.gz HHQGCXIVIZTVJU-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)C2CCC(C)(C)CC2)C1 ZINC001034050245 800996757 /nfs/dbraw/zinc/99/67/57/800996757.db2.gz HRQWJTULMJNKDW-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001034265735 801013969 /nfs/dbraw/zinc/01/39/69/801013969.db2.gz LSORBXNCLOYBAP-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CCCC[N@H+](CCC)C2)CC1 ZINC001034380439 801022631 /nfs/dbraw/zinc/02/26/31/801022631.db2.gz JEQFJHLLAXRULX-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001034543668 801032744 /nfs/dbraw/zinc/03/27/44/801032744.db2.gz IQEHSOZHPVPOOK-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)C(CC)CC)CC2 ZINC001035159353 801052030 /nfs/dbraw/zinc/05/20/30/801052030.db2.gz BLTJFTQCZFFJHN-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)CC(C)(C)C)CC2 ZINC001035159383 801052209 /nfs/dbraw/zinc/05/22/09/801052209.db2.gz CFEJHDNOQFQXDY-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCC(C)C)C1 ZINC001036789880 801090061 /nfs/dbraw/zinc/09/00/61/801090061.db2.gz ZBHZHGYEZKERHZ-HOTGVXAUSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)C1CCCCCCC1 ZINC001038494339 801126069 /nfs/dbraw/zinc/12/60/69/801126069.db2.gz VDKFHVKXSCXLBD-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(CCCC)cc1 ZINC001038478753 801126856 /nfs/dbraw/zinc/12/68/56/801126856.db2.gz FJWPCSAIWFZXAY-QGZVFWFLSA-N 1 1 286.419 3.019 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(CCCC)cc1 ZINC001038478753 801126858 /nfs/dbraw/zinc/12/68/58/801126858.db2.gz FJWPCSAIWFZXAY-QGZVFWFLSA-N 1 1 286.419 3.019 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H]1CNC(=O)c1ccc([C@H](C)CC)cc1 ZINC001039057099 801143979 /nfs/dbraw/zinc/14/39/79/801143979.db2.gz QFTXDGBQTYROKH-QAPCUYQASA-N 1 1 298.430 3.028 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c(cccc2C)o1 ZINC001039065094 801146085 /nfs/dbraw/zinc/14/60/85/801146085.db2.gz YBLXWVDIEVAYJR-CQSZACIVSA-N 1 1 298.386 3.121 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)/C(C)=C\C)CC2)C1 ZINC001039120811 801148827 /nfs/dbraw/zinc/14/88/27/801148827.db2.gz BXUCCMAONYEJOZ-FLUNIGMLSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)/C(C)=C/C)CC2)C1 ZINC001039120814 801149183 /nfs/dbraw/zinc/14/91/83/801149183.db2.gz BXUCCMAONYEJOZ-ZNZANGIRSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C(C)(C)F)C1 ZINC001039179043 801152195 /nfs/dbraw/zinc/15/21/95/801152195.db2.gz XUPSCPSACRHRMF-GJZGRUSLSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C(C)C)C1 ZINC001039190327 801152418 /nfs/dbraw/zinc/15/24/18/801152418.db2.gz LFPAPFVUOANIRR-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C(F)=C(C)C)C1 ZINC001039198678 801153346 /nfs/dbraw/zinc/15/33/46/801153346.db2.gz ZCWULNGXRNOFGF-GJZGRUSLSA-N 1 1 294.414 3.139 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC1(C)C ZINC001039421959 801161075 /nfs/dbraw/zinc/16/10/75/801161075.db2.gz CTPDPVCEVOXYIE-PMPSAXMXSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(=C)C ZINC001039413810 801161323 /nfs/dbraw/zinc/16/13/23/801161323.db2.gz AYFMXEKFAWSWIZ-CVEARBPZSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)C=C(C)C)C2)C1 ZINC001040051401 801170686 /nfs/dbraw/zinc/17/06/86/801170686.db2.gz QXMIVGGVTSCLMF-SFHVURJKSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CC[N@H+]1CCC[C@]2(CCN(C(=O)C3CCCCC3)C2)C1 ZINC001040047159 801171594 /nfs/dbraw/zinc/17/15/94/801171594.db2.gz UAEQVJVJWMYEMK-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@]2(CCN(C(=O)CC(C)C)C2)C1 ZINC001040043293 801171697 /nfs/dbraw/zinc/17/16/97/801171697.db2.gz DXDQQQHIWCEDCV-MRXNPFEDSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CC(C)C)C2)C1 ZINC001040043293 801171698 /nfs/dbraw/zinc/17/16/98/801171698.db2.gz DXDQQQHIWCEDCV-MRXNPFEDSA-N 1 1 298.858 3.100 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cccc(C)c3)C2)C1 ZINC001041026750 801185116 /nfs/dbraw/zinc/18/51/16/801185116.db2.gz FNLKWPUNOBTAQO-LJQANCHMSA-N 1 1 298.430 3.109 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C3(C)CCCC3)C2)C1 ZINC001041519640 801189076 /nfs/dbraw/zinc/18/90/76/801189076.db2.gz JUKFYCUCJYKGPV-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@](C)(C=C)CC)C2)C1 ZINC001041637819 801193176 /nfs/dbraw/zinc/19/31/76/801193176.db2.gz GGUHUWRZWYJQLJ-QZTJIDSGSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](CCC(=C)C)[C@H]2C1 ZINC001042181036 801202473 /nfs/dbraw/zinc/20/24/73/801202473.db2.gz CFQOCLXTGBIYGJ-CVEARBPZSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCC[NH+]1CC(N(C)C(=O)c2ccc(C(C)C)cc2)C1 ZINC001044223146 801233250 /nfs/dbraw/zinc/23/32/50/801233250.db2.gz FQYHJUBWDYKBOY-UHFFFAOYSA-N 1 1 286.419 3.142 20 30 CGEDMO C[C@H](Cc1ccccn1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001256426960 806894639 /nfs/dbraw/zinc/89/46/39/806894639.db2.gz SRDLSVBQJOFSKJ-CQSZACIVSA-N 1 1 265.360 3.016 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC(C)C)C2 ZINC001045910927 801290915 /nfs/dbraw/zinc/29/09/15/801290915.db2.gz VQSZDSFECZNZRC-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCC)C2 ZINC001045906940 801291109 /nfs/dbraw/zinc/29/11/09/801291109.db2.gz MHCAMGUOZPLUKS-KRWDZBQOSA-N 1 1 278.440 3.067 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)F)C2 ZINC001045906942 801291354 /nfs/dbraw/zinc/29/13/54/801291354.db2.gz MHVMZBMWYNFKLA-KRWDZBQOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCC)C2 ZINC001045910730 801292087 /nfs/dbraw/zinc/29/20/87/801292087.db2.gz ZDTBMHJVDNOUHH-INIZCTEOSA-N 1 1 298.858 3.244 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C(CC)CC)C2 ZINC001045915141 801293545 /nfs/dbraw/zinc/29/35/45/801293545.db2.gz HZQBRFXUYYXJKX-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001046338772 801310513 /nfs/dbraw/zinc/31/05/13/801310513.db2.gz BOGCHPYFYOLZSW-SJLPKXTDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCCC23CC3)C1 ZINC001046420861 801312405 /nfs/dbraw/zinc/31/24/05/801312405.db2.gz LYWCAJIFCKASRC-WBVHZDCISA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2cc3ccccc3o2)C1 ZINC001046816680 801325547 /nfs/dbraw/zinc/32/55/47/801325547.db2.gz ASJFPZKXELDSSZ-GOSISDBHSA-N 1 1 298.386 3.203 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)c2cc(C)ccc2C)C1 ZINC001046796669 801326309 /nfs/dbraw/zinc/32/63/09/801326309.db2.gz NMAVBOBWRKCGIN-SFHVURJKSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](C(C)C)C3)CC1 ZINC001047139556 801333390 /nfs/dbraw/zinc/33/33/90/801333390.db2.gz XOCZZQASKGKEJG-UAGQMJEPSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H](C)C(C)(C)C)C[C@H]2C1 ZINC001048895514 801355044 /nfs/dbraw/zinc/35/50/44/801355044.db2.gz PQEHJRIYJQUYFN-HRCADAONSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC1CCCC1 ZINC001049304544 801362588 /nfs/dbraw/zinc/36/25/88/801362588.db2.gz PQHSSXVEWMGUHO-DLBZAZTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1C ZINC001049305427 801363412 /nfs/dbraw/zinc/36/34/12/801363412.db2.gz ZSHZRLTXWBBOHW-ZWKOTPCHSA-N 1 1 298.430 3.250 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(CC)CC ZINC001049345324 801367785 /nfs/dbraw/zinc/36/77/85/801367785.db2.gz UFEQABKYCICKBA-CVEARBPZSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC(C)(C)C1CC1 ZINC001049456616 801373792 /nfs/dbraw/zinc/37/37/92/801373792.db2.gz NGAKRRZEKOIMLM-HZPDHXFCSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)C(=C)Cl ZINC001049500174 801375329 /nfs/dbraw/zinc/37/53/29/801375329.db2.gz CXTMEJNCMRIXCM-KBPBESRZSA-N 1 1 296.842 3.016 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)C(C)(C)C ZINC001049637520 801380417 /nfs/dbraw/zinc/38/04/17/801380417.db2.gz HIGOTKIDWMSHLP-LSDHHAIUSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)C1CC1 ZINC001049660471 801382290 /nfs/dbraw/zinc/38/22/90/801382290.db2.gz NRKGSLOMZTVTLX-CVEARBPZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(CC)(CC)CC ZINC001049815667 801389702 /nfs/dbraw/zinc/38/97/02/801389702.db2.gz QIBYBKNLBUZZOS-JKSUJKDBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2C=CCCC2)CC1 ZINC001052486147 801437307 /nfs/dbraw/zinc/43/73/07/801437307.db2.gz JDRYSASAQAAHAC-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@]2(C)C=CCC2)CC1 ZINC001052631027 801441393 /nfs/dbraw/zinc/44/13/93/801441393.db2.gz MKZJRWIRLNLQCL-FUHWJXTLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)CC2CC(C)(C)C2)CC1 ZINC001052654098 801445056 /nfs/dbraw/zinc/44/50/56/801445056.db2.gz VCMQLLLSZDEFIF-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC001052694447 801449654 /nfs/dbraw/zinc/44/96/54/801449654.db2.gz SYIBHIVYHLWUDP-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CC(C)C)C2)C1 ZINC001053005590 801462128 /nfs/dbraw/zinc/46/21/28/801462128.db2.gz PGXSQCIJAQREHK-IAGOWNOFSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC)C1 ZINC001053059541 801463882 /nfs/dbraw/zinc/46/38/82/801463882.db2.gz VSKSPUGUMATPMA-GJZGRUSLSA-N 1 1 298.858 3.242 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C2CCC2)C1 ZINC001053060006 801464212 /nfs/dbraw/zinc/46/42/12/801464212.db2.gz BPZBSRNZSKXDKI-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC1CCC1)C2 ZINC001054109588 801474215 /nfs/dbraw/zinc/47/42/15/801474215.db2.gz PVTSRVCZLHXZQV-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)C(C)C)C2 ZINC001054134937 801476080 /nfs/dbraw/zinc/47/60/80/801476080.db2.gz QCFHUTWGFFBPFR-GOSISDBHSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)CC2CCCCC2)CC[C@H]1C ZINC001071335372 801530698 /nfs/dbraw/zinc/53/06/98/801530698.db2.gz VCUWMDVAEDCKDG-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)CC2=CCCCC2)CC[C@H]1C ZINC001071391615 801532849 /nfs/dbraw/zinc/53/28/49/801532849.db2.gz KIJNLODZMVBZTP-WBVHZDCISA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C(C)=C2CCCC2)CC[C@@H]1C ZINC001071419850 801533996 /nfs/dbraw/zinc/53/39/96/801533996.db2.gz FQFJJBQDUKOITP-YOEHRIQHSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc(C)c(C)o2)CC[C@@H]1C ZINC001071431722 801536976 /nfs/dbraw/zinc/53/69/76/801536976.db2.gz UXZKIPACUZTMSJ-ZFWWWQNUSA-N 1 1 290.407 3.055 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2(F)CCCC2)CC[C@@H]1C ZINC001071623743 801545745 /nfs/dbraw/zinc/54/57/45/801545745.db2.gz BPFIVPMNVXBXKM-GJZGRUSLSA-N 1 1 296.430 3.204 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2cc(C)co2)CC[C@H]1C ZINC001071749670 801550370 /nfs/dbraw/zinc/55/03/70/801550370.db2.gz XDJREMNSRLPOCT-HUUCEWRRSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)co2)CC[C@@H]1C ZINC001071749668 801550684 /nfs/dbraw/zinc/55/06/84/801550684.db2.gz XDJREMNSRLPOCT-GJZGRUSLSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](C/C=C/Cl)C2)C1 ZINC001071802832 801554484 /nfs/dbraw/zinc/55/44/84/801554484.db2.gz CGXUEIPXJLAYTG-HMJDLUCASA-N 1 1 296.842 3.064 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](C/C=C/Cl)C2)C1 ZINC001071802832 801554489 /nfs/dbraw/zinc/55/44/89/801554489.db2.gz CGXUEIPXJLAYTG-HMJDLUCASA-N 1 1 296.842 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2ccsc2Cl)CC[C@H]1C ZINC001071868011 801557193 /nfs/dbraw/zinc/55/71/93/801557193.db2.gz GFGDRGGPLNWRCD-GHMZBOCLSA-N 1 1 298.839 3.170 20 30 CGEDMO C#CC[N@H+]1C[C@H](NC(=O)c2cccc(C(C)C)c2)CC[C@H]1C ZINC001071963704 801558558 /nfs/dbraw/zinc/55/85/58/801558558.db2.gz HWQIBLWNNMXARS-CRAIPNDOSA-N 1 1 298.430 3.026 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)c2ccoc2CCC)CC[C@H]1C ZINC001071993122 801559170 /nfs/dbraw/zinc/55/91/70/801559170.db2.gz PDYOLLCRIFSUHL-ZIAGYGMSSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C3CC3)cc2)CC[C@@H]1C ZINC001072088633 801562649 /nfs/dbraw/zinc/56/26/49/801562649.db2.gz NYBOVQHKRFYOKR-KSSFIOAISA-N 1 1 298.430 3.333 20 30 CGEDMO C=C(C)CC[N@H+]1CCC2(CN(C(=O)CCC3CCC3)C2)C1 ZINC001072592505 801571901 /nfs/dbraw/zinc/57/19/01/801571901.db2.gz HCMDTJJYWVXSKN-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)C3(CC)CCCC3)C2)C1 ZINC001073098912 801577742 /nfs/dbraw/zinc/57/77/42/801577742.db2.gz YLLDITNXDYQNHQ-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2CCN(C(=O)CC3CCCCCC3)[C@@H]2C1 ZINC001076296319 801616105 /nfs/dbraw/zinc/61/61/05/801616105.db2.gz ZNFOFLVWRYAYEU-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2sccc2C(C)C)C1 ZINC001080984955 801657963 /nfs/dbraw/zinc/65/79/63/801657963.db2.gz BTDUBGLFYMOHQS-TZMCWYRMSA-N 1 1 292.448 3.108 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2CCC(C)(C)CC2)C1 ZINC001081061410 801658555 /nfs/dbraw/zinc/65/85/55/801658555.db2.gz QMBYCAIHVXRVOP-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[C@H](CC)CC1 ZINC001085936784 801711062 /nfs/dbraw/zinc/71/10/62/801711062.db2.gz NNUUBIVVUWFLIN-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)ccc1C ZINC001085945935 801714983 /nfs/dbraw/zinc/71/49/83/801714983.db2.gz VGPOFKYLGWVYNV-MRXNPFEDSA-N 1 1 286.419 3.026 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)c3ccccc3)C(C)(C)[C@@H]21 ZINC001087266907 801745535 /nfs/dbraw/zinc/74/55/35/801745535.db2.gz RWSQPWWRTTVBDC-BRWVUGGUSA-N 1 1 298.430 3.091 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)=C2CCCC2)[C@H]1CC ZINC001087537885 801755033 /nfs/dbraw/zinc/75/50/33/801755033.db2.gz WAYLVCFVMHFHKL-DLBZAZTESA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C(F)=C2CCCC2)[C@H]1CC ZINC001087540494 801755252 /nfs/dbraw/zinc/75/52/52/801755252.db2.gz XMEZNYSECVNQPO-LSDHHAIUSA-N 1 1 294.414 3.329 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@]2(C)C=CCC2)[C@H]1CC ZINC001087690909 801762791 /nfs/dbraw/zinc/76/27/91/801762791.db2.gz VTJFXVWTJYHKLF-SQWLQELKSA-N 1 1 296.842 3.064 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@]2(C)C=CCC2)[C@H]1CC ZINC001087690909 801762795 /nfs/dbraw/zinc/76/27/95/801762795.db2.gz VTJFXVWTJYHKLF-SQWLQELKSA-N 1 1 296.842 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)c2cccs2)[C@H]1CC ZINC001087721813 801765667 /nfs/dbraw/zinc/76/56/67/801765667.db2.gz GRUGWHOUHJQYRN-HZSPNIEDSA-N 1 1 292.448 3.007 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@H]1CC ZINC001087803766 801769140 /nfs/dbraw/zinc/76/91/40/801769140.db2.gz OMEVFZWPYGJRPP-LUKYLMHMSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@@H+](CC(C)C)CC[C@@H]2C1 ZINC001088065068 801772699 /nfs/dbraw/zinc/77/26/99/801772699.db2.gz HAYCNKVMJPYJEW-CVEARBPZSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[N@H+](CC(C)C)CC[C@@H]2C1 ZINC001088093645 801774443 /nfs/dbraw/zinc/77/44/43/801774443.db2.gz GNILLWFOGZXYLN-SOLBZPMBSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[N@H+](CC[C@H](C)F)[C@@H]2C)CC1 ZINC001088838543 801811851 /nfs/dbraw/zinc/81/18/51/801811851.db2.gz PFTAPOVEFQLYBL-LZWOXQAQSA-N 1 1 296.430 3.060 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C)cc2)[C@H]1C ZINC001089000001 801815824 /nfs/dbraw/zinc/81/58/24/801815824.db2.gz FIHMOGSJDADARG-WBVHZDCISA-N 1 1 286.419 3.154 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C)cc2C)[C@H]1C ZINC001089017845 801816181 /nfs/dbraw/zinc/81/61/81/801816181.db2.gz ZOUHRWHWFHDARR-WBVHZDCISA-N 1 1 286.419 3.072 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2)[C@H]1C ZINC001088995208 801816385 /nfs/dbraw/zinc/81/63/85/801816385.db2.gz FOCARVAAZPGAHF-DOMZBBRYSA-N 1 1 292.810 3.109 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccco2)CC(C)(C)C1 ZINC001089303009 801831166 /nfs/dbraw/zinc/83/11/66/801831166.db2.gz JUKKLUBERXLLND-AWEZNQCLSA-N 1 1 290.407 3.076 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)C)CC(C)(C)C1 ZINC001089546489 801842995 /nfs/dbraw/zinc/84/29/95/801842995.db2.gz SUQSGYKDZXEYEN-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccccc1 ZINC001089600528 801843058 /nfs/dbraw/zinc/84/30/58/801843058.db2.gz GBZDKQCVOLVTKJ-INIZCTEOSA-N 1 1 286.419 3.093 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(CC)CC)C[C@]2(C)C1 ZINC001092289988 801861696 /nfs/dbraw/zinc/86/16/96/801861696.db2.gz GHCCDNSGDVOPDT-QAPCUYQASA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[C@H](CC)CC2)[C@H](C)C1 ZINC001093147178 801863798 /nfs/dbraw/zinc/86/37/98/801863798.db2.gz VJBXHGGYGVKXOT-QBPKDAKJSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CCC)CC1 ZINC001093353007 801866412 /nfs/dbraw/zinc/86/64/12/801866412.db2.gz OVUZBGRCIBVWDO-QGZVFWFLSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CC)CC1 ZINC001093345022 801867209 /nfs/dbraw/zinc/86/72/09/801867209.db2.gz CVLQMZPJUANFNX-KRWDZBQOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CCCCCC1)C2 ZINC001096075014 801887109 /nfs/dbraw/zinc/88/71/09/801887109.db2.gz IHAIQNYWOFXJEI-IKGGRYGDSA-N 1 1 290.451 3.254 20 30 CGEDMO C=Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=C)C)cc1 ZINC001096048579 801888019 /nfs/dbraw/zinc/88/80/19/801888019.db2.gz ZFXOIUYRKAQTNC-SQNIBIBYSA-N 1 1 296.414 3.241 20 30 CGEDMO C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC(C)C ZINC001098893850 801919327 /nfs/dbraw/zinc/91/93/27/801919327.db2.gz BIYQKZGCDVYJHW-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)C ZINC001098917394 801921485 /nfs/dbraw/zinc/92/14/85/801921485.db2.gz YRKRVINSGSYPPN-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)CCC ZINC001098976468 801924907 /nfs/dbraw/zinc/92/49/07/801924907.db2.gz UNRWFQPMIZFPSW-HOTGVXAUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCC ZINC001099098536 801928176 /nfs/dbraw/zinc/92/81/76/801928176.db2.gz RCCBYDXBKOWNIE-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCF ZINC001099194204 801934384 /nfs/dbraw/zinc/93/43/84/801934384.db2.gz LXJXAJIKOFDQQV-CABCVRRESA-N 1 1 298.446 3.165 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCF ZINC001099194204 801934393 /nfs/dbraw/zinc/93/43/93/801934393.db2.gz LXJXAJIKOFDQQV-CABCVRRESA-N 1 1 298.446 3.165 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC ZINC001099214943 801934428 /nfs/dbraw/zinc/93/44/28/801934428.db2.gz ODESJASMTDPEGA-WMLDXEAASA-N 1 1 280.456 3.215 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC ZINC001099214942 801934933 /nfs/dbraw/zinc/93/49/33/801934933.db2.gz ODESJASMTDPEGA-RHSMWYFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1C[C@H]2C[N@@H+](CC(C)C)C[C@@]2(C)C1 ZINC001101337872 801975570 /nfs/dbraw/zinc/97/55/70/801975570.db2.gz OOARXLZXFJOKDH-NUJGCVRESA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)/C=C(/C)CC)C[C@]2(C)C1 ZINC001101228337 801976359 /nfs/dbraw/zinc/97/63/59/801976359.db2.gz WIEUQGKWZSCTEC-SREXBANTSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@](C)(CC)CCC)C[C@]2(C)C1 ZINC001101407374 801977653 /nfs/dbraw/zinc/97/76/53/801977653.db2.gz YRGLVRWPJYOOPM-NXHRZFHOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](CNC(=O)CCC2CCCC2)[C@H](C)C1 ZINC001101695075 801986906 /nfs/dbraw/zinc/98/69/06/801986906.db2.gz LXNAGCKNSDGYGP-NVXWUHKLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)CCCCC)[C@H](C)C1 ZINC001101724294 801988759 /nfs/dbraw/zinc/98/87/59/801988759.db2.gz RBGVDKOSPGFRJN-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC[N@H+]1C[C@@H](CNC(=O)CCCC(C)(C)C)[C@H](C)C1 ZINC001101816774 801991112 /nfs/dbraw/zinc/99/11/12/801991112.db2.gz MRHKMIOKGQNUHX-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](CNC(=O)CC(C)=C(C)C)[C@H](C)C1 ZINC001102241285 802001454 /nfs/dbraw/zinc/00/14/54/802001454.db2.gz NAMBTXUSRIMYBJ-IAGOWNOFSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C/C(C)=C\CC(=O)NC[C@@H]1C[N@H+](CCC(=C)C)C[C@H]1C ZINC001102244369 802002734 /nfs/dbraw/zinc/00/27/34/802002734.db2.gz GNYBKNODXGUBAD-CTOSAQQISA-N 1 1 290.451 3.159 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](CNC(=O)C2(CCCC)CC2)[C@H](C)C1 ZINC001102326103 802003576 /nfs/dbraw/zinc/00/35/76/802003576.db2.gz INFBGIPVHXIRMP-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)CCC)[C@H](C)C1 ZINC001102303060 802004101 /nfs/dbraw/zinc/00/41/01/802004101.db2.gz NXQPACQFOLSEIK-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H]1C[N@@H+](CCCC)C[C@H]1C ZINC001102327478 802004482 /nfs/dbraw/zinc/00/44/82/802004482.db2.gz ZLOFMDIXIAYEDF-INMHGKMJSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@@H]1C[N@@H+](CC=C(C)C)C[C@H]1C ZINC001102262983 802004835 /nfs/dbraw/zinc/00/48/35/802004835.db2.gz RGPAPGAMFZLHSD-IXDOHACOSA-N 1 1 292.467 3.239 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)CCCCCC)[C@H](C)C1 ZINC001102476747 802007858 /nfs/dbraw/zinc/00/78/58/802007858.db2.gz ZBKOMWYRAPGXNO-BRWVUGGUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)CC[C@H](C)CC)[C@H](C)C1 ZINC001102477987 802008271 /nfs/dbraw/zinc/00/82/71/802008271.db2.gz ZYWDITSKGYSGGP-BZUAXINKSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C=C(C)C)C1 ZINC001102648159 802018403 /nfs/dbraw/zinc/01/84/03/802018403.db2.gz UBMQCFUYQOSVPO-IXDOHACOSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)/C=C(/C)CC)C1 ZINC001102950408 802024174 /nfs/dbraw/zinc/02/41/74/802024174.db2.gz UDQRZMZCBOUNNF-MKGJVGOLSA-N 1 1 298.858 3.169 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)=C2CCC2)C1 ZINC001102961793 802026071 /nfs/dbraw/zinc/02/60/71/802026071.db2.gz UBRMIVMODBAHRU-RHSMWYFYSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(C(C)C)CC2)C1 ZINC001103417153 802034834 /nfs/dbraw/zinc/03/48/34/802034834.db2.gz LXUUHUKBZFEIHY-HZPDHXFCSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)C(C)C)C1 ZINC001103489453 802035457 /nfs/dbraw/zinc/03/54/57/802035457.db2.gz LITXNUNWZLGLRO-IXDOHACOSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@]2(CNC(C)=O)CCC[C@@H]12 ZINC001107242051 802081183 /nfs/dbraw/zinc/08/11/83/802081183.db2.gz OEGYPQYRZCEMJX-IAGOWNOFSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)CCCF)CCC[C@@H]12 ZINC001107506362 802090089 /nfs/dbraw/zinc/09/00/89/802090089.db2.gz GSYBOKJWVWUWJY-NVXWUHKLSA-N 1 1 296.430 3.063 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(C)C)CC2 ZINC001107502174 802090224 /nfs/dbraw/zinc/09/02/24/802090224.db2.gz ANRXOHLAEMNPHO-CRAIPNDOSA-N 1 1 292.467 3.215 20 30 CGEDMO CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC1)C2 ZINC001108844317 802101092 /nfs/dbraw/zinc/10/10/92/802101092.db2.gz BWJDANNFGIZULA-PMPSAXMXSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1)C2 ZINC001108868317 802102395 /nfs/dbraw/zinc/10/23/95/802102395.db2.gz YJQZUNJKWUVQND-RANZSIQMSA-N 1 1 298.430 3.376 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC)C2 ZINC001108942484 802105026 /nfs/dbraw/zinc/10/50/26/802105026.db2.gz TXGRPABALYNPAO-WCVJEAGWSA-N 1 1 278.440 3.253 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)CCC)C2 ZINC001109051965 802106273 /nfs/dbraw/zinc/10/62/73/802106273.db2.gz MCBAHMDSQFXRFU-FZKCQIBNSA-N 1 1 278.440 3.110 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CCC)CC1)C2 ZINC001109692519 802123373 /nfs/dbraw/zinc/12/33/73/802123373.db2.gz YXFSSGLCLLZRHM-PMPSAXMXSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C/Cl ZINC001109768088 802125642 /nfs/dbraw/zinc/12/56/42/802125642.db2.gz YLGBKYZAPPNAHU-HQJYEZFTSA-N 1 1 296.842 3.063 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C/C=C/Cl ZINC001109768088 802125645 /nfs/dbraw/zinc/12/56/45/802125645.db2.gz YLGBKYZAPPNAHU-HQJYEZFTSA-N 1 1 296.842 3.063 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CC)CCCC1)C2 ZINC001109917221 802127134 /nfs/dbraw/zinc/12/71/34/802127134.db2.gz PCZAZOLMMNMGEJ-PMPSAXMXSA-N 1 1 290.451 3.254 20 30 CGEDMO CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC)C2 ZINC001110220425 802132103 /nfs/dbraw/zinc/13/21/03/802132103.db2.gz ZUYQOPVCSFZZEE-KFWWJZLASA-N 1 1 266.429 3.088 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)c1ccccc1)C2 ZINC001110065446 802132537 /nfs/dbraw/zinc/13/25/37/802132537.db2.gz FRJIMBGMMFHKKD-BGTYHANMSA-N 1 1 298.430 3.088 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(C)(C)C)C2 ZINC001110290481 802135838 /nfs/dbraw/zinc/13/58/38/802135838.db2.gz IJBXYTLIOSQVAT-JJXSEGSLSA-N 1 1 292.467 3.499 20 30 CGEDMO CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)C)C2 ZINC001110286093 802137097 /nfs/dbraw/zinc/13/70/97/802137097.db2.gz OZPNUXFQFLGQNC-OAGGEKHMSA-N 1 1 280.456 3.334 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)/C=C(/C)CC)C2 ZINC001110535546 802144759 /nfs/dbraw/zinc/14/47/59/802144759.db2.gz QMUIRTUVFWBDSD-XRQILJBCSA-N 1 1 276.424 3.030 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1CCC)C2 ZINC001110996437 802152746 /nfs/dbraw/zinc/15/27/46/802152746.db2.gz RVFLENSOQOVDAA-HHARLNAUSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)CCC)C2 ZINC001111190200 802157030 /nfs/dbraw/zinc/15/70/30/802157030.db2.gz TUALBMVQZNOMCS-JJXSEGSLSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](F)CCCCCC)C2 ZINC001111278170 802159127 /nfs/dbraw/zinc/15/91/27/802159127.db2.gz AJKYQAVWJMDYIV-QXSJWSMHSA-N 1 1 296.430 3.202 20 30 CGEDMO C=C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC)c1ccccc1 ZINC001111443643 802160086 /nfs/dbraw/zinc/16/00/86/802160086.db2.gz RSZMIYOGSPFKAD-XDNAFOTISA-N 1 1 298.430 3.088 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)CC(C)(C)C)C2 ZINC001111437513 802160562 /nfs/dbraw/zinc/16/05/62/802160562.db2.gz FCGDYGGILQLVOU-KFWWJZLASA-N 1 1 292.467 3.356 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)/C(C)=C/CC)C1 ZINC001111632474 802165215 /nfs/dbraw/zinc/16/52/15/802165215.db2.gz PNTAZXXIHIYKLC-JIBWZLKKSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(F)=C(C)C)C1 ZINC001111701491 802167233 /nfs/dbraw/zinc/16/72/33/802167233.db2.gz ZWTVKVYPVAGPFW-YOEHRIQHSA-N 1 1 294.414 3.187 20 30 CGEDMO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1CCC1)C2 ZINC001111859221 802169847 /nfs/dbraw/zinc/16/98/47/802169847.db2.gz VBSMLPPKZHAMIY-WMZOPIPTSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)CC(C)C)C1 ZINC001111934149 802172885 /nfs/dbraw/zinc/17/28/85/802172885.db2.gz MPZBRTXSJCXVJJ-RYRKJORJSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)CC(C)C)C1 ZINC001111934148 802173154 /nfs/dbraw/zinc/17/31/54/802173154.db2.gz MPZBRTXSJCXVJJ-BQFCYCMXSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCCCC[NH+]1CCN(C(=O)CSCCC)CC1 ZINC001112656677 802184256 /nfs/dbraw/zinc/18/42/56/802184256.db2.gz VOJFOJZANLRNIZ-UHFFFAOYSA-N 1 1 298.496 3.020 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)CCC[C@H](C)CCC)CC1 ZINC001112890260 802195470 /nfs/dbraw/zinc/19/54/70/802195470.db2.gz AIOWOLXXFHOXSZ-MRXNPFEDSA-N 1 1 280.456 3.313 20 30 CGEDMO CC/C=C(/C)C(=O)NC1[C@H]2C[N@H+](CCCCCCC)C[C@@H]12 ZINC001113967818 802236715 /nfs/dbraw/zinc/23/67/15/802236715.db2.gz BRFOAGXVVYJVKI-MLVYURTISA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[C@@H](C)CCC ZINC001114334484 802241609 /nfs/dbraw/zinc/24/16/09/802241609.db2.gz VCBOHBOUMSBGEZ-LISAXSMJSA-N 1 1 292.467 3.215 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)CC ZINC001114766279 802244942 /nfs/dbraw/zinc/24/49/42/802244942.db2.gz VQFOGEUVOMLKBQ-ZSHCYNCHSA-N 1 1 294.483 3.439 20 30 CGEDMO Cc1ccc(N=NC2C[C@H](C)[N@H+](C)C2)cc1Cl ZINC001116276562 802322067 /nfs/dbraw/zinc/32/20/67/802322067.db2.gz UDSLQAQPEXGBJK-JTQLQIEISA-N 1 1 251.761 3.140 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccc(OC)cc2Cl)C1 ZINC001116554278 802377389 /nfs/dbraw/zinc/37/73/89/802377389.db2.gz MWCVHXHPLXVZDE-AWEZNQCLSA-N 1 1 281.783 3.126 20 30 CGEDMO CC[N@@H+](C)Cc1cccc(CNc2cccc(CC#N)n2)c1 ZINC001116636202 802388187 /nfs/dbraw/zinc/38/81/87/802388187.db2.gz GFPDPUXLIGRRBE-UHFFFAOYSA-N 1 1 294.402 3.211 20 30 CGEDMO C#CC[N@H+](Cc1cc(O)cc(C(F)(F)F)c1)CC1CC1 ZINC001117680922 802476527 /nfs/dbraw/zinc/47/65/27/802476527.db2.gz XNMBNBOFORUWEZ-UHFFFAOYSA-N 1 1 283.293 3.256 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@H]1COC(=O)c1csc(C#N)c1 ZINC001117806924 802500831 /nfs/dbraw/zinc/50/08/31/802500831.db2.gz RFYHUNQYEUBJNU-ZDUSSCGKSA-N 1 1 292.404 3.039 20 30 CGEDMO Cc1cccc(NC[C@H]2CCC[N@@H+]2C[C@H](C)CCC#N)n1 ZINC001119296244 802644495 /nfs/dbraw/zinc/64/44/95/802644495.db2.gz PFXCWEIZGAGOCG-GDBMZVCRSA-N 1 1 286.423 3.206 20 30 CGEDMO N#CC1(C[N@@H+]2Cc3ccccc3OC3(CCC3)C2)CC1 ZINC001119379315 802656639 /nfs/dbraw/zinc/65/66/39/802656639.db2.gz WXKLTELJJRPKML-UHFFFAOYSA-N 1 1 268.360 3.107 20 30 CGEDMO N#CC1(C[N@H+]2Cc3ccccc3OC3(CCC3)C2)CC1 ZINC001119379315 802656641 /nfs/dbraw/zinc/65/66/41/802656641.db2.gz WXKLTELJJRPKML-UHFFFAOYSA-N 1 1 268.360 3.107 20 30 CGEDMO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)CCCCC1(C#N)CCC1 ZINC001119822329 802701874 /nfs/dbraw/zinc/70/18/74/802701874.db2.gz GZFBDTBHKZSCHB-CQSZACIVSA-N 1 1 293.455 3.086 20 30 CGEDMO Cc1cc(F)c(C#N)c(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC001120014513 802725487 /nfs/dbraw/zinc/72/54/87/802725487.db2.gz NWNNXQRRIKYNNV-QWHCGFSZSA-N 1 1 273.355 3.045 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]([C@H]2CCC[N@H+]2CC=C)C1 ZINC001120422052 802744889 /nfs/dbraw/zinc/74/48/89/802744889.db2.gz IREXEPCVCRGEKF-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC001120596802 802751586 /nfs/dbraw/zinc/75/15/86/802751586.db2.gz ZMTRNJGYHAQSEW-GFCCVEGCSA-N 1 1 297.280 3.118 20 30 CGEDMO CCC[C@](C)(C#N)N[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256906681 807007303 /nfs/dbraw/zinc/00/73/03/807007303.db2.gz UCXYRHDGBKPDAA-GOEBONIOSA-N 1 1 263.429 3.065 20 30 CGEDMO N#Cc1ccc2nc(N[C@H]3CC[N@H+]4CCCC[C@H]34)ccc2c1 ZINC001120804831 802779736 /nfs/dbraw/zinc/77/97/36/802779736.db2.gz ULGWXWUHMNKZMP-DLBZAZTESA-N 1 1 292.386 3.145 20 30 CGEDMO C=C1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC001120815737 802782814 /nfs/dbraw/zinc/78/28/14/802782814.db2.gz XBOYFCPEJKWWAY-UHFFFAOYSA-N 1 1 269.304 3.299 20 30 CGEDMO COc1ccc(-c2cc(F)c3c(c2)C[N@H+](C)CC3)c(C#N)c1 ZINC001243732010 802971527 /nfs/dbraw/zinc/97/15/27/802971527.db2.gz IAHAUJSBUYBKGG-UHFFFAOYSA-N 1 1 296.345 3.361 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H](NC(=O)CC)CC[C@@H]1C ZINC001131736539 803339304 /nfs/dbraw/zinc/33/93/04/803339304.db2.gz ZKNWIXVIILFJSW-LSDHHAIUSA-N 1 1 268.445 3.336 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)CCC2CCCC2)CC[C@H]1C ZINC001131764707 803344177 /nfs/dbraw/zinc/34/41/77/803344177.db2.gz MFXVQSLCHVYEKC-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)CCSCC)CC[C@H]1C ZINC001131849363 803352162 /nfs/dbraw/zinc/35/21/62/803352162.db2.gz RLWLYBBRGMIYAL-HUUCEWRRSA-N 1 1 298.496 3.065 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)CSC(C)C)CC[C@H]1C ZINC001131866187 803352932 /nfs/dbraw/zinc/35/29/32/803352932.db2.gz VXOMTVQJGJDGKV-CABCVRRESA-N 1 1 298.496 3.063 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)/C=C(/C)C2CC2)CC[C@@H]1C ZINC001131903664 803355020 /nfs/dbraw/zinc/35/50/20/803355020.db2.gz JDNBVDJBTAPLFJ-DKZLNJBMSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)C2=CCCC2)CC[C@H]1C ZINC001131949512 803361347 /nfs/dbraw/zinc/36/13/47/803361347.db2.gz DLDJTNVHNSAWDH-ZBFHGGJFSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCC)C1 ZINC001132057597 803369071 /nfs/dbraw/zinc/36/90/71/803369071.db2.gz RPMAQCAOZRJORV-GDBMZVCRSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC2CCC2)C1 ZINC001132060737 803370961 /nfs/dbraw/zinc/37/09/61/803370961.db2.gz KKPMQLQBAZMSMS-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCCC)C1 ZINC001132061734 803371002 /nfs/dbraw/zinc/37/10/02/803371002.db2.gz YDSGLNJNDZYQLQ-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C(C)(C)C(C)C)CC[C@H]1C ZINC001132065462 803371590 /nfs/dbraw/zinc/37/15/90/803371590.db2.gz USDLVRKSXYUBTC-CABCVRRESA-N 1 1 280.456 3.214 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCC)C1 ZINC001132077958 803373341 /nfs/dbraw/zinc/37/33/41/803373341.db2.gz JTHUYLFXCYJGOY-WCQYABFASA-N 1 1 286.847 3.144 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(C)C)C1 ZINC001132221366 803380373 /nfs/dbraw/zinc/38/03/73/803380373.db2.gz GNOFOQQJNIODTM-GJZGRUSLSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C/C=C(\C)C=C)CC[C@H]1C ZINC001132224292 803381188 /nfs/dbraw/zinc/38/11/88/803381188.db2.gz LWVXBOSYOYSXHZ-RCVIBLRSSA-N 1 1 276.424 3.054 20 30 CGEDMO C=C/C(C)=C/CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCC(=C)C)C1 ZINC001132228381 803383901 /nfs/dbraw/zinc/38/39/01/803383901.db2.gz QBLVEKNQJJWBMX-NVCKSXSZSA-N 1 1 290.451 3.444 20 30 CGEDMO C=CCCC1(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC(=C)C)C2)CC1 ZINC001132277219 803390778 /nfs/dbraw/zinc/39/07/78/803390778.db2.gz CQPZKYPHQQSCLH-JKSUJKDBSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC(=C)C)C2)CC1 ZINC001132277218 803391168 /nfs/dbraw/zinc/39/11/68/803391168.db2.gz CQPZKYPHQQSCLH-HZPDHXFCSA-N 1 1 290.451 3.278 20 30 CGEDMO C#CCC[N@H+]1C[C@H](NC(=O)C(C)(C)CC(C)C)CC[C@H]1C ZINC001132416149 803401837 /nfs/dbraw/zinc/40/18/37/803401837.db2.gz AOUMIVBBPSJVGI-HZPDHXFCSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)CCC2(C)CC2)CC[C@@H]1C ZINC001132414639 803401930 /nfs/dbraw/zinc/40/19/30/803401930.db2.gz UBAOAMMGJRAQRZ-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cnc2cc(C)ccn12 ZINC001136890867 803659428 /nfs/dbraw/zinc/65/94/28/803659428.db2.gz ALFSVRWUOFQLEV-UHFFFAOYSA-N 1 1 257.381 3.431 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc2nccnc2c1 ZINC001137091228 803681927 /nfs/dbraw/zinc/68/19/27/803681927.db2.gz RFGVJUYNIJPJKV-UHFFFAOYSA-N 1 1 288.354 3.133 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1C ZINC001137115485 803685304 /nfs/dbraw/zinc/68/53/04/803685304.db2.gz QGRGOUNBSWACKK-LSDHHAIUSA-N 1 1 272.392 3.457 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cnc2ccc(C)cn12 ZINC001137310623 803712547 /nfs/dbraw/zinc/71/25/47/803712547.db2.gz IPBLQGDIICOBLD-UHFFFAOYSA-N 1 1 257.381 3.431 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Br)C1 ZINC001137548856 803739999 /nfs/dbraw/zinc/73/99/99/803739999.db2.gz JWPGWPOLUUGMCK-NSHDSACASA-N 1 1 296.183 3.433 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(F)cc2Br)C1 ZINC001137548856 803740004 /nfs/dbraw/zinc/74/00/04/803740004.db2.gz JWPGWPOLUUGMCK-NSHDSACASA-N 1 1 296.183 3.433 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(F)c(Br)c2)C1 ZINC001137558405 803740615 /nfs/dbraw/zinc/74/06/15/803740615.db2.gz VMTBJTLJNYIXME-LLVKDONJSA-N 1 1 296.183 3.433 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(F)c(Br)c2)C1 ZINC001137558405 803740618 /nfs/dbraw/zinc/74/06/18/803740618.db2.gz VMTBJTLJNYIXME-LLVKDONJSA-N 1 1 296.183 3.433 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c(C#N)c1 ZINC001137704400 803760274 /nfs/dbraw/zinc/76/02/74/803760274.db2.gz DPZPNEYKCVAIGM-SUMWQHHRSA-N 1 1 270.376 3.331 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c(C#N)c1 ZINC001137704398 803760364 /nfs/dbraw/zinc/76/03/64/803760364.db2.gz DPZPNEYKCVAIGM-DYVFJYSZSA-N 1 1 270.376 3.331 20 30 CGEDMO COc1ccc(C[N@@H+](C)CCc2cccs2)c(C#N)c1 ZINC001137703825 803761402 /nfs/dbraw/zinc/76/14/02/803761402.db2.gz VXHBZMMRGCGYKV-UHFFFAOYSA-N 1 1 286.400 3.303 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC001137962378 803808211 /nfs/dbraw/zinc/80/82/11/803808211.db2.gz GDMVRLRRTJVOIM-NSHDSACASA-N 1 1 251.732 3.324 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC001137962378 803808218 /nfs/dbraw/zinc/80/82/18/803808218.db2.gz GDMVRLRRTJVOIM-NSHDSACASA-N 1 1 251.732 3.324 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2Cl)OCO3)C1 ZINC001138244016 803878118 /nfs/dbraw/zinc/87/81/18/803878118.db2.gz SKBIAIJCJSQBRA-NSHDSACASA-N 1 1 292.766 3.194 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2cc3c(cc2Cl)OCO3)C1 ZINC001138244016 803878127 /nfs/dbraw/zinc/87/81/27/803878127.db2.gz SKBIAIJCJSQBRA-NSHDSACASA-N 1 1 292.766 3.194 20 30 CGEDMO C#CCOc1ccc(C[N@@H+](CC)CC(=C)C)cc1OC ZINC001138349176 803901428 /nfs/dbraw/zinc/90/14/28/803901428.db2.gz ULMLRFFTZKPALA-UHFFFAOYSA-N 1 1 273.376 3.105 20 30 CGEDMO CN(C)c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)s1 ZINC001138493719 803951603 /nfs/dbraw/zinc/95/16/03/803951603.db2.gz UMDRGHRHFPVAMF-XYYAHUGASA-N 1 1 275.421 3.081 20 30 CGEDMO COc1ccc2c(C[N@@H+]3[C@@H]4CC[C@H]3C[C@H](C#N)C4)c[nH]c2c1 ZINC001138589594 803974814 /nfs/dbraw/zinc/97/48/14/803974814.db2.gz HJOPCYOGFQLFIH-XMQYKBBCSA-N 1 1 295.386 3.443 20 30 CGEDMO COc1ccc2c(C[N@H+]3CCC[C@H](C#N)CC3)c[nH]c2c1 ZINC001138590557 803975885 /nfs/dbraw/zinc/97/58/85/803975885.db2.gz SECFVNOUEDZXKI-ZDUSSCGKSA-N 1 1 283.375 3.302 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c1O ZINC001138624283 803982931 /nfs/dbraw/zinc/98/29/31/803982931.db2.gz AYTHTAUTDYNEJQ-RDJZCZTQSA-N 1 1 287.403 3.122 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CC[C@@]3(C2)CCCOC3)c1O ZINC001138629716 803985001 /nfs/dbraw/zinc/98/50/01/803985001.db2.gz GTEQNNNGMNIPEV-GOSISDBHSA-N 1 1 287.403 3.123 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C)c1O ZINC001138631345 803986499 /nfs/dbraw/zinc/98/64/99/803986499.db2.gz PWZVAPYIOFDKLV-XJKSGUPXSA-N 1 1 275.392 3.120 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CCC[C@@](C)(O)CC1 ZINC001138663003 803996548 /nfs/dbraw/zinc/99/65/48/803996548.db2.gz KQMWNNXVYMYDKT-GOSISDBHSA-N 1 1 289.419 3.378 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC001138882675 804060820 /nfs/dbraw/zinc/06/08/20/804060820.db2.gz PSXDJJJHUCIPPW-UHFFFAOYSA-N 1 1 286.354 3.341 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC001138882675 804060830 /nfs/dbraw/zinc/06/08/30/804060830.db2.gz PSXDJJJHUCIPPW-UHFFFAOYSA-N 1 1 286.354 3.341 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2cnc3[nH]ccc3c2Cl)CC1 ZINC001138936359 804076921 /nfs/dbraw/zinc/07/69/21/804076921.db2.gz OYKFAYBYQBRTSU-LLVKDONJSA-N 1 1 288.782 3.294 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2cnc3[nH]ccc3c2Cl)CC1 ZINC001138936359 804076928 /nfs/dbraw/zinc/07/69/28/804076928.db2.gz OYKFAYBYQBRTSU-LLVKDONJSA-N 1 1 288.782 3.294 20 30 CGEDMO CCCCCCCC[C@@H](O)CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC001246024382 804099681 /nfs/dbraw/zinc/09/96/81/804099681.db2.gz FNRDVQZGDSXAOI-QZTJIDSGSA-N 1 1 296.499 3.173 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[N@H+](CC)CCN ZINC001246052956 804105177 /nfs/dbraw/zinc/10/51/77/804105177.db2.gz PFSXFYQUEABCHP-INIZCTEOSA-N 1 1 272.477 3.159 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[N@@H+](CC)CCN ZINC001246052956 804105183 /nfs/dbraw/zinc/10/51/83/804105183.db2.gz PFSXFYQUEABCHP-INIZCTEOSA-N 1 1 272.477 3.159 20 30 CGEDMO C=CCCCCCC[C@H](O)CN(C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001246068619 804108496 /nfs/dbraw/zinc/10/84/96/804108496.db2.gz WFIINFKXRBQJSM-YESZJQIVSA-N 1 1 282.472 3.076 20 30 CGEDMO C#CC(CC)(CC)N[C@@H]1CC[NH2+]C2(CCCCC2)C1 ZINC001246072637 804110370 /nfs/dbraw/zinc/11/03/70/804110370.db2.gz QHMHNDBTBWLOEF-OAHLLOKOSA-N 1 1 262.441 3.223 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCCC[C@@H]1C(C)=O ZINC001139030401 804113546 /nfs/dbraw/zinc/11/35/46/804113546.db2.gz MFGHITZIOTZXMI-MRXNPFEDSA-N 1 1 273.376 3.195 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCCC[C@@H]1C(C)=O ZINC001139030401 804113549 /nfs/dbraw/zinc/11/35/49/804113549.db2.gz MFGHITZIOTZXMI-MRXNPFEDSA-N 1 1 273.376 3.195 20 30 CGEDMO CCCCCCCCC[C@H](C)N[C@H]1C[NH2+]CCOC1 ZINC001246093551 804125791 /nfs/dbraw/zinc/12/57/91/804125791.db2.gz OKUYBLFEWBJDNT-HOTGVXAUSA-N 1 1 270.461 3.094 20 30 CGEDMO CCCCCCC[C@H](CCC)[NH2+]C[C@@]12CN[C@@H](CO1)C2 ZINC001246150280 804169588 /nfs/dbraw/zinc/16/95/88/804169588.db2.gz SWVQBPIPFCNKNQ-BBWFWOEESA-N 1 1 282.472 3.236 20 30 CGEDMO CCCCCCCC[C@H](CCC)[NH2+][C@@H]1CCNC[C@@H]1O ZINC001246228395 804220838 /nfs/dbraw/zinc/22/08/38/804220838.db2.gz VZLCZLKUCJGLOC-BBWFWOEESA-N 1 1 284.488 3.218 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(OCC)c(CC)c2)C1 ZINC001139623838 804235050 /nfs/dbraw/zinc/23/50/50/804235050.db2.gz OLUIAZZVTQQAGC-HNNXBMFYSA-N 1 1 271.404 3.493 20 30 CGEDMO C[C@@]1(CO)CCC[N@H+](Cc2cccc(Cl)c2C#N)CC1 ZINC001139686678 804253709 /nfs/dbraw/zinc/25/37/09/804253709.db2.gz BGTJLFVKFZXDAK-MRXNPFEDSA-N 1 1 292.810 3.196 20 30 CGEDMO C[C@@]1(CO)CCC[N@@H+](Cc2cccc(Cl)c2C#N)CC1 ZINC001139686678 804253714 /nfs/dbraw/zinc/25/37/14/804253714.db2.gz BGTJLFVKFZXDAK-MRXNPFEDSA-N 1 1 292.810 3.196 20 30 CGEDMO N#Cc1c(Cl)cccc1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001139690156 804253842 /nfs/dbraw/zinc/25/38/42/804253842.db2.gz RGCFXDWCFPCADX-XJKSGUPXSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1c(Cl)cccc1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001139690156 804253849 /nfs/dbraw/zinc/25/38/49/804253849.db2.gz RGCFXDWCFPCADX-XJKSGUPXSA-N 1 1 290.794 3.213 20 30 CGEDMO CCC[N@H+](CCCN(C)C)Cc1c[nH]c2c1cccc2C#N ZINC001139706637 804260757 /nfs/dbraw/zinc/26/07/57/804260757.db2.gz CILYCCDETIDFEO-UHFFFAOYSA-N 1 1 298.434 3.203 20 30 CGEDMO CCC[N@@H+](CCCN(C)C)Cc1c[nH]c2c1cccc2C#N ZINC001139706637 804260765 /nfs/dbraw/zinc/26/07/65/804260765.db2.gz CILYCCDETIDFEO-UHFFFAOYSA-N 1 1 298.434 3.203 20 30 CGEDMO COC(C)(C)[C@H]1CCC[N@H+]1Cc1ccc(C)c(C#N)c1 ZINC001139726376 804266438 /nfs/dbraw/zinc/26/64/38/804266438.db2.gz LATMVIGBLVAIRT-MRXNPFEDSA-N 1 1 272.392 3.256 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCC(=O)[C@H]3CCCC[C@H]32)cc1C#N ZINC001139722858 804266768 /nfs/dbraw/zinc/26/67/68/804266768.db2.gz JPWWMDYPFFWZKZ-DLBZAZTESA-N 1 1 282.387 3.200 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC(=O)[C@H]3CCCC[C@H]32)cc1C#N ZINC001139722858 804266776 /nfs/dbraw/zinc/26/67/76/804266776.db2.gz JPWWMDYPFFWZKZ-DLBZAZTESA-N 1 1 282.387 3.200 20 30 CGEDMO C=CCn1cc(C[N@@H+]2CCC[C@H]2c2cccc(OC)c2)cn1 ZINC001139772381 804278540 /nfs/dbraw/zinc/27/85/40/804278540.db2.gz HKUDWHPVMXTGBO-SFHVURJKSA-N 1 1 297.402 3.415 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc3ccn(C)c3c2)no1 ZINC001212324897 815005145 /nfs/dbraw/zinc/00/51/45/815005145.db2.gz BJQFFQHCMZFORI-AWEZNQCLSA-N 1 1 294.358 3.032 20 30 CGEDMO CCCCCCC[C@H](CCC)[NH2+][C@H]1CCNC[C@H]1OC ZINC001246352731 804299887 /nfs/dbraw/zinc/29/98/87/804299887.db2.gz ZDNMKTKGLJZJIR-YESZJQIVSA-N 1 1 284.488 3.482 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)C=C1CCC(C)(C)CC1 ZINC001139869667 804303487 /nfs/dbraw/zinc/30/34/87/804303487.db2.gz OZXYSNRHAXLWOS-UHFFFAOYSA-N 1 1 292.467 3.479 20 30 CGEDMO N#Cc1cc(F)cc(C[N@H+]2CCC[C@H]2Cc2ccccn2)c1 ZINC001139875150 804305632 /nfs/dbraw/zinc/30/56/32/804305632.db2.gz IMAOLXHEAAQPSD-SFHVURJKSA-N 1 1 295.361 3.299 20 30 CGEDMO CCCCCCCCC[C@H](CCC)[NH2+][C@H]1CNC[C@@H]1N ZINC001246446911 804335885 /nfs/dbraw/zinc/33/58/85/804335885.db2.gz OUEDONAJZXCVSB-ULQDDVLXSA-N 1 1 283.504 3.185 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001246460934 804341309 /nfs/dbraw/zinc/34/13/09/804341309.db2.gz LDXUQBFUYUFLFO-DNVCBOLYSA-N 1 1 297.446 3.001 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](F)CC2)c(F)c1 ZINC001140136020 804384375 /nfs/dbraw/zinc/38/43/75/804384375.db2.gz DGYQZYSIIBBWRM-ZDUSSCGKSA-N 1 1 250.292 3.021 20 30 CGEDMO CCCCCCC[C@H](CC)[N@@H+](C)C[C@@H]1CNCCO1 ZINC001246549527 804398013 /nfs/dbraw/zinc/39/80/13/804398013.db2.gz MKCBOJWUMRJSNH-HOTGVXAUSA-N 1 1 270.461 3.046 20 30 CGEDMO CCCCCCC[C@H](CCC)[N@@H+](C)C[C@H]1CNCCO1 ZINC001246551820 804402150 /nfs/dbraw/zinc/40/21/50/804402150.db2.gz RKWLIWAIVHJSQJ-DLBZAZTESA-N 1 1 284.488 3.436 20 30 CGEDMO CCCCCCC[C@@H](CCC)[N@@H+](C)C[C@H]1CNCCO1 ZINC001246551821 804402347 /nfs/dbraw/zinc/40/23/47/804402347.db2.gz RKWLIWAIVHJSQJ-IAGOWNOFSA-N 1 1 284.488 3.436 20 30 CGEDMO CCCCCCC[C@@H](CC(C)C)[N@@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246556193 804406524 /nfs/dbraw/zinc/40/65/24/804406524.db2.gz BLHJNDFYTZXOIW-GVDBMIGSSA-N 1 1 284.488 3.156 20 30 CGEDMO CCCCCCC[C@@H](CC(C)C)[N@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246556193 804406525 /nfs/dbraw/zinc/40/65/25/804406525.db2.gz BLHJNDFYTZXOIW-GVDBMIGSSA-N 1 1 284.488 3.156 20 30 CGEDMO C[C@@H]1CC[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)C[C@H]1N ZINC001246559045 804407489 /nfs/dbraw/zinc/40/74/89/804407489.db2.gz BJLFWPQDHISNIL-YOODTLSXSA-N 1 1 297.446 3.254 20 30 CGEDMO C[C@@H]1CCN(C2CCC(c3ccc(C#N)cc3)CC2)C[C@H]1[NH3+] ZINC001246559045 804407492 /nfs/dbraw/zinc/40/74/92/804407492.db2.gz BJLFWPQDHISNIL-YOODTLSXSA-N 1 1 297.446 3.254 20 30 CGEDMO Cc1cc(C[N@@H+](CCC#N)C2CCCC2)ccc1O ZINC001140575661 804463044 /nfs/dbraw/zinc/46/30/44/804463044.db2.gz TYTLRPZRUYZRKM-UHFFFAOYSA-N 1 1 258.365 3.359 20 30 CGEDMO N#Cc1ccc(Cl)c(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)c1 ZINC001140600598 804471310 /nfs/dbraw/zinc/47/13/10/804471310.db2.gz PQDYARMNYNVLRJ-CJNGLKHVSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1ccc(Cl)c(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)c1 ZINC001140600598 804471313 /nfs/dbraw/zinc/47/13/13/804471313.db2.gz PQDYARMNYNVLRJ-CJNGLKHVSA-N 1 1 290.794 3.213 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2Cl)CCC[C@@]1(C)O ZINC001140600352 804471584 /nfs/dbraw/zinc/47/15/84/804471584.db2.gz IQLRFNOXMIBYJQ-BLLLJJGKSA-N 1 1 292.810 3.195 20 30 CGEDMO CC[N@@H+](C)C1CCN(Cc2cc(C#N)ccc2Cl)CC1 ZINC001140603770 804473879 /nfs/dbraw/zinc/47/38/79/804473879.db2.gz BVTKNVOCZPVUGP-UHFFFAOYSA-N 1 1 291.826 3.128 20 30 CGEDMO C[C@@H]1CN[C@@H](C)C[N@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001246687618 804497261 /nfs/dbraw/zinc/49/72/61/804497261.db2.gz AYQZWOPJNWQELB-HEZAVNPASA-N 1 1 297.446 3.073 20 30 CGEDMO C[C@@H]1CN[C@@H](C)C[N@@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001246687618 804497265 /nfs/dbraw/zinc/49/72/65/804497265.db2.gz AYQZWOPJNWQELB-HEZAVNPASA-N 1 1 297.446 3.073 20 30 CGEDMO COc1cccc(Cl)c1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001140728734 804499626 /nfs/dbraw/zinc/49/96/26/804499626.db2.gz NRSAEAKNFWPCKQ-LBPRGKRZSA-N 1 1 278.783 3.474 20 30 CGEDMO COc1cccc(Cl)c1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001140728734 804499630 /nfs/dbraw/zinc/49/96/30/804499630.db2.gz NRSAEAKNFWPCKQ-LBPRGKRZSA-N 1 1 278.783 3.474 20 30 CGEDMO Cn1cnc2ccc(C[N@@H+](C)Cc3ccc(C#N)cc3)cc21 ZINC001140745736 804502367 /nfs/dbraw/zinc/50/23/67/804502367.db2.gz AQIMZXIBOWQWOW-UHFFFAOYSA-N 1 1 290.370 3.077 20 30 CGEDMO N#Cc1c(F)cc(C[N@H+]2CC[C@@H](c3ccccn3)C2)cc1F ZINC001140754110 804505750 /nfs/dbraw/zinc/50/57/50/804505750.db2.gz PEAGVFAQDWWBGM-CYBMUJFWSA-N 1 1 299.324 3.221 20 30 CGEDMO CC(C)[N@@H+](CCCCCO)Cc1cc(F)c(C#N)c(F)c1 ZINC001140757322 804505765 /nfs/dbraw/zinc/50/57/65/804505765.db2.gz YQPVFWLVKCZGCX-UHFFFAOYSA-N 1 1 296.361 3.209 20 30 CGEDMO CCCOC1CC[NH+](Cc2cc(F)c(C#N)c(F)c2)CC1 ZINC001140753800 804505829 /nfs/dbraw/zinc/50/58/29/804505829.db2.gz MTOHVAJKXNKYCA-UHFFFAOYSA-N 1 1 294.345 3.227 20 30 CGEDMO CCCCCC[C@@H](CCCC)[N@@H+]1CCN[C@H](C#N)C1 ZINC001246832896 804542417 /nfs/dbraw/zinc/54/24/17/804542417.db2.gz CUVVNXRTYJEFOK-HZPDHXFCSA-N 1 1 265.445 3.313 20 30 CGEDMO CCCCCC[C@@H](CCCC)[N@H+]1CCN[C@H](C#N)C1 ZINC001246832896 804542422 /nfs/dbraw/zinc/54/24/22/804542422.db2.gz CUVVNXRTYJEFOK-HZPDHXFCSA-N 1 1 265.445 3.313 20 30 CGEDMO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](C2CCC(C#N)CC2)C1 ZINC001256968660 807018663 /nfs/dbraw/zinc/01/86/63/807018663.db2.gz JRGBIISQVSBYKU-SHARSMKWSA-N 1 1 292.423 3.122 20 30 CGEDMO CCOC[C@@]12CCC[C@@H]1C[N@H+](C1CCC(C#N)CC1)C2 ZINC001256966525 807019006 /nfs/dbraw/zinc/01/90/06/807019006.db2.gz JZNBKLOJZWIXKQ-MYBQVCMBSA-N 1 1 276.424 3.207 20 30 CGEDMO CC(C)(C)OC(=O)C[C@@H]1CC[N@H+](C2CCC(C#N)CC2)C1 ZINC001256971867 807020835 /nfs/dbraw/zinc/02/08/35/807020835.db2.gz NISDBLFVHYMGGM-SLTAFYQDSA-N 1 1 292.423 3.122 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2sc(N)c(C#N)c2Cl)CC1 ZINC001141106829 804590908 /nfs/dbraw/zinc/59/09/08/804590908.db2.gz JFWHTWMVDWSURB-VIFPVBQESA-N 1 1 283.828 3.477 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2sc(N)c(C#N)c2Cl)C2(CC2)C1 ZINC001141112652 804592188 /nfs/dbraw/zinc/59/21/88/804592188.db2.gz IBAGMDSHWWGVTC-QMMMGPOBSA-N 1 1 281.812 3.230 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141113155 804592549 /nfs/dbraw/zinc/59/25/49/804592549.db2.gz CMAJJTMGUWARHC-DTORHVGOSA-N 1 1 283.828 3.333 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001141163688 804601757 /nfs/dbraw/zinc/60/17/57/804601757.db2.gz OXFSZHSXIZXBKM-CHWSQXEVSA-N 1 1 258.340 3.319 20 30 CGEDMO COCC[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1C#N ZINC001141165091 804602049 /nfs/dbraw/zinc/60/20/49/804602049.db2.gz TUONSDGMJSONAD-MRXNPFEDSA-N 1 1 276.355 3.088 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2ccc3cc(F)ccc3n2)CC1 ZINC001141648714 804661552 /nfs/dbraw/zinc/66/15/52/804661552.db2.gz BLFFKUMZVMLXTG-CYBMUJFWSA-N 1 1 283.350 3.500 20 30 CGEDMO CCCCCCCCNC(=S)NC[C@H]1CCCC[N@H+]1C ZINC001247166175 804672761 /nfs/dbraw/zinc/67/27/61/804672761.db2.gz FARSSLJLVWBYKG-OAHLLOKOSA-N 1 1 299.528 3.295 20 30 CGEDMO CSc1nc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1C#N ZINC001141941477 804680792 /nfs/dbraw/zinc/68/07/92/804680792.db2.gz LHZRBJHAEAXLBA-TXEJJXNPSA-N 1 1 275.421 3.153 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2c(C)onc2-c2ccccc2)C1 ZINC001141990633 804686191 /nfs/dbraw/zinc/68/61/91/804686191.db2.gz MBGXIJLNIYXOAM-OAHLLOKOSA-N 1 1 280.371 3.495 20 30 CGEDMO C#CC[C@@H]([NH3+])c1nc(-c2ccc(CCCC)cc2)no1 ZINC001247612379 804779417 /nfs/dbraw/zinc/77/94/17/804779417.db2.gz FVOGUDYDDAJTCD-CQSZACIVSA-N 1 1 269.348 3.102 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2ccc(OCC)cc2)no1 ZINC001247621933 804782031 /nfs/dbraw/zinc/78/20/31/804782031.db2.gz BXMLNJGGPBSCFW-CYBMUJFWSA-N 1 1 273.336 3.101 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2ccc(OC(F)F)cc2)no1 ZINC001247621833 804782043 /nfs/dbraw/zinc/78/20/43/804782043.db2.gz ADZXOXMDMPSGGS-NSHDSACASA-N 1 1 295.289 3.304 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)CCC[C@@]1(C)O ZINC001142912219 804783100 /nfs/dbraw/zinc/78/31/00/804783100.db2.gz YLSBQHXTXCYLJH-SCLBCKFNSA-N 1 1 297.402 3.022 20 30 CGEDMO N#Cc1ccc2c(C[N@H+]3C[C@H]4[C@H](CC4(F)F)C3)c[nH]c2c1 ZINC001142916160 804783607 /nfs/dbraw/zinc/78/36/07/804783607.db2.gz OHNYCXIVHFTXKG-RISCZKNCSA-N 1 1 287.313 3.127 20 30 CGEDMO N#Cc1ccc2c(C[N@@H+]3CCC[C@H](CF)C3)c[nH]c2c1 ZINC001142921079 804783891 /nfs/dbraw/zinc/78/38/91/804783891.db2.gz GAAAEEKWKIFRES-CYBMUJFWSA-N 1 1 271.339 3.221 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2cc(Cl)ccc2F)no1 ZINC001247623013 804784399 /nfs/dbraw/zinc/78/43/99/804784399.db2.gz VALGYDDFDYNTRP-NSHDSACASA-N 1 1 281.718 3.495 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2cccc(C(F)(F)F)n2)no1 ZINC001247623204 804784497 /nfs/dbraw/zinc/78/44/97/804784497.db2.gz YREPXEGRUCBLBN-QMMMGPOBSA-N 1 1 298.268 3.116 20 30 CGEDMO CCC[N@@H+](Cc1c(F)ccc(C#N)c1F)C1CCOCC1 ZINC001143176274 804817038 /nfs/dbraw/zinc/81/70/38/804817038.db2.gz YDEXJPTZDGZFSX-UHFFFAOYSA-N 1 1 294.345 3.227 20 30 CGEDMO C=CC[NH+]1CCN(Cc2cc(C)cc(C(F)(F)F)c2)CC1 ZINC001143454541 804855001 /nfs/dbraw/zinc/85/50/01/804855001.db2.gz FIACJPRKVAOXFZ-UHFFFAOYSA-N 1 1 298.352 3.317 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2ccc(OCC)c(Cl)c2)no1 ZINC001247962952 804857488 /nfs/dbraw/zinc/85/74/88/804857488.db2.gz FZHXGWDHNBQBPZ-NSHDSACASA-N 1 1 293.754 3.365 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2cc(F)c(F)cc2Cl)no1 ZINC001247968145 804858917 /nfs/dbraw/zinc/85/89/17/804858917.db2.gz UEQZJHMBVSJGGJ-JTQLQIEISA-N 1 1 285.681 3.244 20 30 CGEDMO COc1c(F)cccc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC001143533400 804862891 /nfs/dbraw/zinc/86/28/91/804862891.db2.gz ZHGIKPJOHQXGQO-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO COc1c(F)cccc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001143533400 804862898 /nfs/dbraw/zinc/86/28/98/804862898.db2.gz ZHGIKPJOHQXGQO-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO CC(C)[N@@H+](C)[C@@H]1CCN(Cc2c(Cl)cccc2C#N)C1 ZINC001143731915 804889593 /nfs/dbraw/zinc/88/95/93/804889593.db2.gz HTNMOSVCAMFRJD-CQSZACIVSA-N 1 1 291.826 3.126 20 30 CGEDMO CC(C)(C)C[C@H]([NH3+])c1nc(-c2cc(C#N)ccc2F)no1 ZINC001248190211 804891516 /nfs/dbraw/zinc/89/15/16/804891516.db2.gz LPTCJKGLXZLQND-LBPRGKRZSA-N 1 1 288.326 3.183 20 30 CGEDMO N#Cc1ccc(C2CCC([N@@H+]3CCC[C@@H]3CO)CC2)cc1 ZINC001257017741 807029958 /nfs/dbraw/zinc/02/99/58/807029958.db2.gz ZCUDLHXFGXOUPT-DAWZGUTISA-N 1 1 284.403 3.041 20 30 CGEDMO C#CC[N@@H+](C)Cc1ccc(Cl)c(Cl)c1OC ZINC001248641309 804963124 /nfs/dbraw/zinc/96/31/24/804963124.db2.gz GFVYBNDECHCSNU-UHFFFAOYSA-N 1 1 258.148 3.067 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(Cl)c(Cl)c1OC ZINC001248641309 804963126 /nfs/dbraw/zinc/96/31/26/804963126.db2.gz GFVYBNDECHCSNU-UHFFFAOYSA-N 1 1 258.148 3.067 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001248752611 804983630 /nfs/dbraw/zinc/98/36/30/804983630.db2.gz SSSFJAGXMNNYAI-JYJNAYRXSA-N 1 1 258.340 3.053 20 30 CGEDMO CCCO[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2CC)C1 ZINC001248751059 804983744 /nfs/dbraw/zinc/98/37/44/804983744.db2.gz HSQNIJXHAYAFBD-KRWDZBQOSA-N 1 1 272.392 3.122 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2OC ZINC001248751050 804984629 /nfs/dbraw/zinc/98/46/29/804984629.db2.gz HJSPODNLNCKQJS-QYZOEREBSA-N 1 1 298.430 3.368 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1ccc(-c2ccn(C)n2)cc1 ZINC001248766459 804988232 /nfs/dbraw/zinc/98/82/32/804988232.db2.gz RAJCWKGNKSPEKJ-UHFFFAOYSA-N 1 1 282.391 3.213 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1ccc(-c2ccn(C)n2)cc1 ZINC001248766459 804988234 /nfs/dbraw/zinc/98/82/34/804988234.db2.gz RAJCWKGNKSPEKJ-UHFFFAOYSA-N 1 1 282.391 3.213 20 30 CGEDMO C#Cc1ccc(C[N@H+](Cc2ccccc2)CC(C)(C)O)cc1 ZINC001144578523 805008686 /nfs/dbraw/zinc/00/86/86/805008686.db2.gz FTSGXEAGGWNJDB-UHFFFAOYSA-N 1 1 293.410 3.441 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC[C@H](Oc3ccncc3C)C2)cc1 ZINC001144581551 805010167 /nfs/dbraw/zinc/01/01/67/805010167.db2.gz WJLUWADTXHHINF-SFHVURJKSA-N 1 1 292.382 3.025 20 30 CGEDMO N#Cc1cccc(-c2noc([C@@H]3CCC[N@H+]3CC3CC3)n2)c1 ZINC001249073167 805083502 /nfs/dbraw/zinc/08/35/02/805083502.db2.gz JNASBADUMUQQGQ-HNNXBMFYSA-N 1 1 294.358 3.155 20 30 CGEDMO C[C@@H]1C[C@@H]([N@@H+](CCC#N)Cc2ccccc2)C[C@H](C)O1 ZINC001257086690 807047790 /nfs/dbraw/zinc/04/77/90/807047790.db2.gz JPNRHABXKZTBQD-SCAQPMJSSA-N 1 1 272.392 3.358 20 30 CGEDMO N#Cc1ccn2ncc(C[N@@H+]3CC[C@@H]3c3ccccc3)c2c1 ZINC001249113452 805093460 /nfs/dbraw/zinc/09/34/60/805093460.db2.gz IISXVXWFHSYTDY-QGZVFWFLSA-N 1 1 288.354 3.153 20 30 CGEDMO N#Cc1ccn2ncc(C[N@H+]3CC[C@@H]3c3ccccc3)c2c1 ZINC001249113452 805093471 /nfs/dbraw/zinc/09/34/71/805093471.db2.gz IISXVXWFHSYTDY-QGZVFWFLSA-N 1 1 288.354 3.153 20 30 CGEDMO C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@](C)(F)CCCC)C2)C1 ZINC001147813349 805153252 /nfs/dbraw/zinc/15/32/52/805153252.db2.gz YZXAALRAIOHUMY-MRXNPFEDSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CC[N@H+](CCC(C)C)C2 ZINC001148131091 805164986 /nfs/dbraw/zinc/16/49/86/805164986.db2.gz PPBVBGSIKRMHMA-INIZCTEOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CCC2(CN(C(=O)C[C@@H](C)CC(C)C)C2)C1 ZINC001148600118 805198343 /nfs/dbraw/zinc/19/83/43/805198343.db2.gz WFXNTUNJZHLPAM-INIZCTEOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CCC2(CN(C(=O)C[C@@H](CC)C(C)C)C2)C1 ZINC001148635513 805202477 /nfs/dbraw/zinc/20/24/77/805202477.db2.gz JNPGSTYIAXTWKA-MRXNPFEDSA-N 1 1 292.467 3.169 20 30 CGEDMO CCCCCCCCC(=O)N1CC2(C1)CC[N@@H+](CC)C2 ZINC001148666029 805204264 /nfs/dbraw/zinc/20/42/64/805204264.db2.gz HYDLSEIHYKKAQL-UHFFFAOYSA-N 1 1 280.456 3.291 20 30 CGEDMO C[C@@]1(F)CCCC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC001249680627 805209290 /nfs/dbraw/zinc/20/92/90/805209290.db2.gz JIDNIEZWEBBJDX-OAHLLOKOSA-N 1 1 264.319 3.411 20 30 CGEDMO C[C@@]1(F)CCCC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC001249680627 805209297 /nfs/dbraw/zinc/20/92/97/805209297.db2.gz JIDNIEZWEBBJDX-OAHLLOKOSA-N 1 1 264.319 3.411 20 30 CGEDMO Cc1cc(Nc2ccc([C@@H](C)C#N)cc2)c[nH+]c1N ZINC001249787982 805247938 /nfs/dbraw/zinc/24/79/38/805247938.db2.gz WYERKNKHNUOMIW-NSHDSACASA-N 1 1 252.321 3.343 20 30 CGEDMO C=CC1(CC(=O)N2CC[N@H+](CC)[C@H](C)C2)CCCCC1 ZINC001151039474 805280294 /nfs/dbraw/zinc/28/02/94/805280294.db2.gz NPWQCMPMEWEBFC-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)c1ccccc1F ZINC001151606311 805301193 /nfs/dbraw/zinc/30/11/93/805301193.db2.gz ZTLQHFBKNBVBKY-CQSZACIVSA-N 1 1 292.398 3.232 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1sccc1C ZINC001151643969 805303408 /nfs/dbraw/zinc/30/34/08/805303408.db2.gz JTRPSQXQIDECEL-CYBMUJFWSA-N 1 1 280.437 3.073 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)C1CCCCCC1 ZINC001152346155 805345840 /nfs/dbraw/zinc/34/58/40/805345840.db2.gz IAHBKLFTFXNGFJ-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)CC1=CCCCC1 ZINC001152413729 805348399 /nfs/dbraw/zinc/34/83/99/805348399.db2.gz PVMQAVDXZFIJBQ-CQSZACIVSA-N 1 1 298.858 3.456 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)CC1=CCCCC1 ZINC001152413729 805348407 /nfs/dbraw/zinc/34/84/07/805348407.db2.gz PVMQAVDXZFIJBQ-CQSZACIVSA-N 1 1 298.858 3.456 20 30 CGEDMO C#CCCCCC(=O)NC[C@@H](C)[N@H+](CC)CC/C=C\CC ZINC001152873395 805371595 /nfs/dbraw/zinc/37/15/95/805371595.db2.gz LRLBKQPTXWBKHS-FPISAVPCSA-N 1 1 292.467 3.363 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)CCCC ZINC001153090704 805384486 /nfs/dbraw/zinc/38/44/86/805384486.db2.gz NQCPHVNDHNBWOC-LSDHHAIUSA-N 1 1 268.445 3.215 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)CCCc1ccsc1 ZINC001153936636 805421631 /nfs/dbraw/zinc/42/16/31/805421631.db2.gz JNGSPJLTYYYOFR-CQSZACIVSA-N 1 1 294.464 3.083 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)C1CCC1 ZINC001153975020 805423436 /nfs/dbraw/zinc/42/34/36/805423436.db2.gz UHNLISFHEIZYMY-CHWSQXEVSA-N 1 1 286.847 3.002 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)C1CCC1 ZINC001153975020 805423439 /nfs/dbraw/zinc/42/34/39/805423439.db2.gz UHNLISFHEIZYMY-CHWSQXEVSA-N 1 1 286.847 3.002 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(CC)o1 ZINC001154061989 805430502 /nfs/dbraw/zinc/43/05/02/805430502.db2.gz FNEFXBDEKWDRRY-CQSZACIVSA-N 1 1 292.423 3.248 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)CCC(C)C ZINC001154588881 805464551 /nfs/dbraw/zinc/46/45/51/805464551.db2.gz QKBHXEIHABBASY-OAHLLOKOSA-N 1 1 282.472 3.461 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)CC1CCC1 ZINC001154584577 805464891 /nfs/dbraw/zinc/46/48/91/805464891.db2.gz NYHXIWYYVHCRKL-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(CC(C)C)C(=O)N1CC[N@@H+](C2CCCC2)[C@@H](C)C1 ZINC001154889574 805506112 /nfs/dbraw/zinc/50/61/12/805506112.db2.gz QPIRYMAMKWQLOU-HNNXBMFYSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)c1cccs1 ZINC001155199896 805555311 /nfs/dbraw/zinc/55/53/11/805555311.db2.gz LOXOIFDIMKAYSA-KGLIPLIRSA-N 1 1 294.464 3.254 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)c1ccco1 ZINC001155205762 805556783 /nfs/dbraw/zinc/55/67/83/805556783.db2.gz QGDYJTXYJNKKRM-HUUCEWRRSA-N 1 1 292.423 3.176 20 30 CGEDMO COc1ccc2c(c1)C[N@@H+](C1CCC(C#N)CC1)C2 ZINC001256969778 807020289 /nfs/dbraw/zinc/02/02/89/807020289.db2.gz NYTUBHAPJGIXTD-UHFFFAOYSA-N 1 1 256.349 3.093 20 30 CGEDMO Cc1ccc2c(c1)CC[N@@H+](C1CCC(C#N)CC1)C2 ZINC001256971431 807020323 /nfs/dbraw/zinc/02/03/23/807020323.db2.gz QWGCEBXTVHPCSH-UHFFFAOYSA-N 1 1 254.377 3.436 20 30 CGEDMO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H](CC)CCC ZINC001257246082 807067299 /nfs/dbraw/zinc/06/72/99/807067299.db2.gz BKVOKZZXTSUWEC-IRXDYDNUSA-N 1 1 289.419 3.495 20 30 CGEDMO CCCC(CCC)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001257338118 807113282 /nfs/dbraw/zinc/11/32/82/807113282.db2.gz ROOSQRJUZILTJQ-ZDUSSCGKSA-N 1 1 253.411 3.229 20 30 CGEDMO C#C[C@H]1CCCN(c2cc(OC)c3ccccc3[nH+]2)C1 ZINC001167005428 807126808 /nfs/dbraw/zinc/12/68/08/807126808.db2.gz JKTGPAQZFREMHJ-ZDUSSCGKSA-N 1 1 266.344 3.093 20 30 CGEDMO C#C[C@@H]1CCCN(c2[nH+]cnc3c2ccn3C2CCCC2)C1 ZINC001167004750 807126837 /nfs/dbraw/zinc/12/68/37/807126837.db2.gz BVGDUGPLMPJOJU-CQSZACIVSA-N 1 1 294.402 3.396 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1c1ccc(NCc2cncnc2)cc1 ZINC001167268762 807173653 /nfs/dbraw/zinc/17/36/53/807173653.db2.gz ZMQTUQRRAVYGBL-SFHVURJKSA-N 1 1 294.402 3.412 20 30 CGEDMO C=CCN1CC[C@@]2(CCC[N@H+]([C@H](C)CCCCC)C2)C1=O ZINC001257513011 807188524 /nfs/dbraw/zinc/18/85/24/807188524.db2.gz QXYYEKBYNMCSQB-SJLPKXTDSA-N 1 1 292.467 3.456 20 30 CGEDMO CCCCCCCCCC[C@H](C)[N@H+]1C[C@H](O)C[C@@H]1CO ZINC001257550150 807196501 /nfs/dbraw/zinc/19/65/01/807196501.db2.gz JNNYPFUGNGXSQZ-GVDBMIGSSA-N 1 1 285.472 3.333 20 30 CGEDMO COc1ccc(C[C@H]2CC[N@H+]2CCCCC#N)cc1 ZINC001167634869 807221267 /nfs/dbraw/zinc/22/12/67/807221267.db2.gz JHILXHLOJIMDMV-OAHLLOKOSA-N 1 1 258.365 3.006 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCC[C@H](CO)CC3)C[C@H](C1)C2 ZINC001257891800 807240877 /nfs/dbraw/zinc/24/08/77/807240877.db2.gz OVCUBSKOYOZKRS-PMRDEQMMSA-N 1 1 263.425 3.216 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CC[C@@H](Oc4ncccn4)C3)C[C@H](C1)C2 ZINC001257894163 807243706 /nfs/dbraw/zinc/24/37/06/807243706.db2.gz MBZLFGRRWAAYOO-FCLJQHQZSA-N 1 1 299.418 3.065 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3C[C@@H]4CCCN(C)[C@@H]4C3)C[C@H](C1)C2 ZINC001257894350 807244217 /nfs/dbraw/zinc/24/42/17/807244217.db2.gz QMCWDRPXQMFYGN-GFHHTVLPSA-N 1 1 274.452 3.147 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CCN4CC(F)(F)C[C@H]4C3)C[C@H](C1)C2 ZINC001257895597 807244893 /nfs/dbraw/zinc/24/48/93/807244893.db2.gz VBWYQZFKBQCGJQ-QXULXFAOSA-N 1 1 296.405 3.147 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CC[C@H]4COC[C@@H]4C3)C[C@H](C1)C2 ZINC001257895694 807244979 /nfs/dbraw/zinc/24/49/79/807244979.db2.gz YKAOXIMSEUBYLG-OLXYTISPSA-N 1 1 261.409 3.090 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CC[C@H]4OCC[C@@H]4C3)C[C@H](C1)C2 ZINC001257895558 807245647 /nfs/dbraw/zinc/24/56/47/807245647.db2.gz TURWPDAKYDZTEC-QQXWRGTKSA-N 1 1 261.409 3.232 20 30 CGEDMO CC(C)C[C@H]1CCCC[N@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001167898663 807270255 /nfs/dbraw/zinc/27/02/55/807270255.db2.gz QMRDZBPHKINRPP-QZTJIDSGSA-N 1 1 286.419 3.492 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CCC(O)=C(C(=O)OCC)C1 ZINC001258044771 807273309 /nfs/dbraw/zinc/27/33/09/807273309.db2.gz UWGFUDZOWKGIJD-GJZGRUSLSA-N 1 1 297.439 3.190 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC001258045134 807273917 /nfs/dbraw/zinc/27/39/17/807273917.db2.gz WYASPPBSIIPGRH-JKSUJKDBSA-N 1 1 269.429 3.227 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC001258045132 807274110 /nfs/dbraw/zinc/27/41/10/807274110.db2.gz WYASPPBSIIPGRH-HOTGVXAUSA-N 1 1 269.429 3.227 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1CC[C@H](N(C)C(C)=O)C1 ZINC001258049252 807275235 /nfs/dbraw/zinc/27/52/35/807275235.db2.gz CJZYDKIDXDDTSI-ZBFHGGJFSA-N 1 1 268.445 3.288 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1Cc2ccnn2CC[C@@H]1CO ZINC001258050758 807276806 /nfs/dbraw/zinc/27/68/06/807276806.db2.gz XTYRYBZKFVRRLR-NVXWUHKLSA-N 1 1 293.455 3.199 20 30 CGEDMO C#CC[N@@H+]([C@H]1C[C@H]2C[C@H]2C1)[C@@H]1CCc2ccccc21 ZINC001167938207 807277398 /nfs/dbraw/zinc/27/73/98/807277398.db2.gz CNKRWAXLKNBTMO-MUQADHOPSA-N 1 1 251.373 3.408 20 30 CGEDMO C#CCC[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168022952 807300351 /nfs/dbraw/zinc/30/03/51/807300351.db2.gz UDPRTRGKXMYWKR-ALXJQNPVSA-N 1 1 270.420 3.041 20 30 CGEDMO C[C@H]1CC([NH2+]CCCS)C[C@H](C)N1Cc1ccccc1 ZINC001168028185 807301421 /nfs/dbraw/zinc/30/14/21/807301421.db2.gz ONBMQHTVRAYFFT-GJZGRUSLSA-N 1 1 292.492 3.338 20 30 CGEDMO C[C@@H]1C[C@@H](N2CC(C)(C#N)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168041420 807303105 /nfs/dbraw/zinc/30/31/05/807303105.db2.gz SINWYIFNVJRPLA-ALXJQNPVSA-N 1 1 297.446 3.273 20 30 CGEDMO CC(C)CC[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccn1 ZINC001168124197 807313728 /nfs/dbraw/zinc/31/37/28/807313728.db2.gz CIWRBPXTAMKFSW-INIZCTEOSA-N 1 1 257.381 3.354 20 30 CGEDMO COc1ccc2c(c1)C[C@@H]([N@@H+](C)Cc1cccc(C#N)c1)C2 ZINC001168282042 807373006 /nfs/dbraw/zinc/37/30/06/807373006.db2.gz DLKIMNYVXZJYPO-SFHVURJKSA-N 1 1 292.382 3.166 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](C2CCN(c3cccc(F)c3)CC2)C1 ZINC001258424509 807445321 /nfs/dbraw/zinc/44/53/21/807445321.db2.gz FPXZZNQHPXCJDN-AWEZNQCLSA-N 1 1 287.382 3.030 20 30 CGEDMO CC1(C)CC[C@H]([N@H+]2CCc3cc(C#N)ccc3C2)C1 ZINC001258602062 807501371 /nfs/dbraw/zinc/50/13/71/807501371.db2.gz HJHRCEWFWALQRM-INIZCTEOSA-N 1 1 254.377 3.495 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCO[C@]2(CCC[C@@H]2COCC=C)C1 ZINC001258730197 807575866 /nfs/dbraw/zinc/57/58/66/807575866.db2.gz BUCRZZVTOFHRCA-KZNAEPCWSA-N 1 1 293.451 3.415 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@]2(CCCN2C(=O)C(C)C)C1 ZINC001258730116 807576144 /nfs/dbraw/zinc/57/61/44/807576144.db2.gz BDANBORVPXDVOW-DOTOQJQBSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001258729955 807576378 /nfs/dbraw/zinc/57/63/78/807576378.db2.gz ZPTYBHLKTCWVBT-BPQIPLTHSA-N 1 1 293.451 3.391 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CCCn2cnc(COC(C)C)c2C1 ZINC001258731552 807577961 /nfs/dbraw/zinc/57/79/61/807577961.db2.gz ZXTZLQGXGYVFNQ-HNNXBMFYSA-N 1 1 291.439 3.369 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC[C@H]1N(C)C(=O)OC(C)(C)C ZINC001258733585 807579299 /nfs/dbraw/zinc/57/92/99/807579299.db2.gz JEBRNZVKCVVXRI-OLZOCXBDSA-N 1 1 268.401 3.240 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1N(C)C(=O)OC(C)(C)C ZINC001258733585 807579304 /nfs/dbraw/zinc/57/93/04/807579304.db2.gz JEBRNZVKCVVXRI-OLZOCXBDSA-N 1 1 268.401 3.240 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](Cc1cccnc1)C1CCOCC1 ZINC001258735087 807581032 /nfs/dbraw/zinc/58/10/32/807581032.db2.gz OHBLHHFIFOUHHM-HNNXBMFYSA-N 1 1 274.408 3.417 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH2+][C@@H](CC)C[C@@H](C)CC)C(=O)OCC ZINC001258783246 807610744 /nfs/dbraw/zinc/61/07/44/807610744.db2.gz BNKMCUMOINDGCY-KNCOVGOOSA-N 1 1 267.413 3.299 20 30 CGEDMO C[C@H]1CCC[C@@H]([N@H+]2CCCN(c3ccc(C#N)cn3)CC2)C1 ZINC001258827742 807643326 /nfs/dbraw/zinc/64/33/26/807643326.db2.gz UTMIJPJTZILUEP-DOTOQJQBSA-N 1 1 298.434 3.044 20 30 CGEDMO COc1ccccc1C[C@@H](C)[N@H+]1CCC[C@H](CC#N)C1 ZINC001258891872 807665892 /nfs/dbraw/zinc/66/58/92/807665892.db2.gz GNYHIMROJVJBBE-HUUCEWRRSA-N 1 1 272.392 3.252 20 30 CGEDMO C#C[C@@](C)(CC)Nc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC001169691488 807688569 /nfs/dbraw/zinc/68/85/69/807688569.db2.gz FABICNBJQIANPM-SFHVURJKSA-N 1 1 292.386 3.211 20 30 CGEDMO N#CC1(CC[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)CCCCC1 ZINC001261360236 807737146 /nfs/dbraw/zinc/73/71/46/807737146.db2.gz DTUTWICMKJDCRR-CVEARBPZSA-N 1 1 276.424 3.351 20 30 CGEDMO CCC[N@H+](CCc1ccc(C#N)cc1)CCN1CCCCC1 ZINC001170172301 807785076 /nfs/dbraw/zinc/78/50/76/807785076.db2.gz FSVRXMDISOTWED-UHFFFAOYSA-N 1 1 299.462 3.299 20 30 CGEDMO CCCN(CCc1ccc(C#N)cc1)CC[NH+]1CCCCC1 ZINC001170172301 807785077 /nfs/dbraw/zinc/78/50/77/807785077.db2.gz FSVRXMDISOTWED-UHFFFAOYSA-N 1 1 299.462 3.299 20 30 CGEDMO C[C@@H]1CC[C@H](O)C[N@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170379147 807831648 /nfs/dbraw/zinc/83/16/48/807831648.db2.gz RKJLYAFWGAMEQY-IZIZEDOESA-N 1 1 298.430 3.236 20 30 CGEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCCOCC2)CC1 ZINC001170379231 807832055 /nfs/dbraw/zinc/83/20/55/807832055.db2.gz URTXWSIHNVIOMZ-UHFFFAOYSA-N 1 1 284.403 3.113 20 30 CGEDMO CC1(C)[C@@H]2C[C@H]([NH+]3CC(Oc4ccccc4C#N)C3)C[C@@H]21 ZINC001170765100 807903093 /nfs/dbraw/zinc/90/30/93/807903093.db2.gz AXPJVFBXXVZATF-RBVVOMGSSA-N 1 1 282.387 3.056 20 30 CGEDMO CO[C@@H]1CCC[C@@H]2C[N@H+]([C@@H](C)Cc3cccc(C#N)c3)C[C@@H]21 ZINC001171218640 808010726 /nfs/dbraw/zinc/01/07/26/808010726.db2.gz VVBCJTRYDAUSNM-KLIQENQMSA-N 1 1 298.430 3.236 20 30 CGEDMO CCC[N@H+](CCCN(C)C)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171232717 808015357 /nfs/dbraw/zinc/01/53/57/808015357.db2.gz VXCURTSKRNDMHK-INIZCTEOSA-N 1 1 287.451 3.153 20 30 CGEDMO CCC[N@@H+](CCCN(C)C)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171232717 808015359 /nfs/dbraw/zinc/01/53/59/808015359.db2.gz VXCURTSKRNDMHK-INIZCTEOSA-N 1 1 287.451 3.153 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@H]1c1ncccn1 ZINC001171233916 808015365 /nfs/dbraw/zinc/01/53/65/808015365.db2.gz HRHOVWCXKQCBEW-YOEHRIQHSA-N 1 1 292.386 3.116 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCC(C)C)C(C)(C)[C@@H]21 ZINC001264030637 808029535 /nfs/dbraw/zinc/02/95/35/808029535.db2.gz UJDKZBLAPFJPMC-DJIMGWMZSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CCOc1ccccc1[C@@H](C)Nc1ccc(N)[nH+]c1 ZINC001171374891 808038707 /nfs/dbraw/zinc/03/87/07/808038707.db2.gz YQXIHRUMSWEAMC-GFCCVEGCSA-N 1 1 269.348 3.402 20 30 CGEDMO CC#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC/C=C/CC ZINC001264369354 808061172 /nfs/dbraw/zinc/06/11/72/808061172.db2.gz UYRPPCWOVUHPGC-UGAXZCSASA-N 1 1 290.451 3.069 20 30 CGEDMO C=CCc1cc(C)c[nH+]c1NCCOc1ccc(C#N)cc1 ZINC001171482249 808072806 /nfs/dbraw/zinc/07/28/06/808072806.db2.gz HUEKNQJQUIASBU-UHFFFAOYSA-N 1 1 293.370 3.481 20 30 CGEDMO N#Cc1ccc(OCCNc2ccc(C3CC3)c[nH+]2)cc1 ZINC001171484561 808074727 /nfs/dbraw/zinc/07/47/27/808074727.db2.gz RYPXVWWOBKIHFD-UHFFFAOYSA-N 1 1 279.343 3.322 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C2CC2)[C@H]1CC ZINC001264616041 808081861 /nfs/dbraw/zinc/08/18/61/808081861.db2.gz MZBCJMWWXJPSKD-JKSUJKDBSA-N 1 1 292.467 3.358 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H](CCC)CC(C)C)[C@H]1C ZINC001264734908 808089246 /nfs/dbraw/zinc/08/92/46/808089246.db2.gz IZMPGQJCYQPYKK-ZACQAIPSSA-N 1 1 292.467 3.051 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](F)C(C)C ZINC001264742816 808089374 /nfs/dbraw/zinc/08/93/74/808089374.db2.gz IPKPZUFCYHOLFR-JKSUJKDBSA-N 1 1 298.446 3.260 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)CCC1CC1 ZINC001264739357 808089427 /nfs/dbraw/zinc/08/94/27/808089427.db2.gz WSOUQHNSUNDJIP-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)CCCNC(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC001265121509 808110812 /nfs/dbraw/zinc/11/08/12/808110812.db2.gz VBBORIGXQUKEFK-SOUVJXGZSA-N 1 1 298.858 3.003 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CCC[N@@H+](C/C=C\Cl)C2)CCC1 ZINC001265224922 808122404 /nfs/dbraw/zinc/12/24/04/808122404.db2.gz NJSCDMQPKMADOA-XTXQVDMPSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CCC[N@H+](C/C=C\Cl)C2)CCC1 ZINC001265224922 808122410 /nfs/dbraw/zinc/12/24/10/808122410.db2.gz NJSCDMQPKMADOA-XTXQVDMPSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C=C)c2ccccc2)C1 ZINC001265317097 808129833 /nfs/dbraw/zinc/12/98/33/808129833.db2.gz JLAXMQWZDRYNEC-ROUUACIJSA-N 1 1 298.430 3.113 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001265319698 808131512 /nfs/dbraw/zinc/13/15/12/808131512.db2.gz PYAKMGYUUSRODV-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)CC(C)C ZINC001265415284 808140621 /nfs/dbraw/zinc/14/06/21/808140621.db2.gz XTMDPAMHBNIAPO-IYBDPMFKSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)CC(C)C ZINC001265415284 808140625 /nfs/dbraw/zinc/14/06/25/808140625.db2.gz XTMDPAMHBNIAPO-IYBDPMFKSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCN1CC[C@H]([N@H+](C)C2CC(C)(C)CC(C)(C)C2)C1=O ZINC001171853882 808149644 /nfs/dbraw/zinc/14/96/44/808149644.db2.gz OSFJBPXTVLYZGN-HNNXBMFYSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)OCCCC ZINC001171920533 808153841 /nfs/dbraw/zinc/15/38/41/808153841.db2.gz IMNHBGJJIZJATC-RRFJBIMHSA-N 1 1 267.413 3.443 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](CNC(=O)/C(C)=C\CC)C1 ZINC001265577241 808157410 /nfs/dbraw/zinc/15/74/10/808157410.db2.gz DUWQBQJGDLLZTJ-QOBZYLRHSA-N 1 1 278.440 3.137 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@H](CNC(=O)CCCCC(C)C)C1 ZINC001265592858 808159058 /nfs/dbraw/zinc/15/90/58/808159058.db2.gz LHZCNVICYPNILU-KRWDZBQOSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@]1(C)CC=CCC1 ZINC001265644863 808163536 /nfs/dbraw/zinc/16/35/36/808163536.db2.gz DBNVTDXQCZVNRD-WMZOPIPTSA-N 1 1 290.451 3.280 20 30 CGEDMO CC1(C)C[C@H](N2CCC[C@H]2C#N)CC[N@H+]1Cc1ccccc1 ZINC001171976081 808163970 /nfs/dbraw/zinc/16/39/70/808163970.db2.gz HYJNFUXWLOFQDA-MSOLQXFVSA-N 1 1 297.446 3.418 20 30 CGEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](CC)CCCC ZINC001265650083 808165207 /nfs/dbraw/zinc/16/52/07/808165207.db2.gz ZNBBNZPFARCJBR-DLBZAZTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)C1(CC=C)CCCC1 ZINC001265659444 808166057 /nfs/dbraw/zinc/16/60/57/808166057.db2.gz BERNWXGHWKNINJ-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)C1C(C)(C)C1(C)C ZINC001265821897 808185069 /nfs/dbraw/zinc/18/50/69/808185069.db2.gz CAWJAKLAVIAQRC-CQSZACIVSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCC[N@H+](C)CCCNC(=O)[C@@]1(C)CCC[C@H]1C ZINC001265919791 808193140 /nfs/dbraw/zinc/19/31/40/808193140.db2.gz VMZBPQBVUISKHE-WBVHZDCISA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCC[N@H+](C)CCCNC(=O)[C@]1(C)CCC[C@H]1C ZINC001265919789 808193498 /nfs/dbraw/zinc/19/34/98/808193498.db2.gz VMZBPQBVUISKHE-NVXWUHKLSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001266093899 808210101 /nfs/dbraw/zinc/21/01/01/808210101.db2.gz MVDOXYXFZBJZBB-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)CCCC2CC2)C1 ZINC001266107902 808212431 /nfs/dbraw/zinc/21/24/31/808212431.db2.gz LZGKDYJXDPJZAD-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)CCCC(C)C)C1 ZINC001266110940 808213775 /nfs/dbraw/zinc/21/37/75/808213775.db2.gz SGGDDZNKSOQBGA-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CC(Oc2ccccc2)C1 ZINC001172306980 808221663 /nfs/dbraw/zinc/22/16/63/808221663.db2.gz MBNISMDGAWHTGF-OAHLLOKOSA-N 1 1 292.382 3.252 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCOc2ccccc2C1 ZINC001172305251 808221974 /nfs/dbraw/zinc/22/19/74/808221974.db2.gz COANGNCMZREYFM-OAHLLOKOSA-N 1 1 292.382 3.384 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@@H](C)C[C@H]1CF ZINC001172308881 808222770 /nfs/dbraw/zinc/22/27/70/808222770.db2.gz AJFYBQNLYLEIPX-ZENOOKHLSA-N 1 1 260.356 3.169 20 30 CGEDMO CC[N@@H+](Cc1ccncc1)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172307852 808223087 /nfs/dbraw/zinc/22/30/87/808223087.db2.gz HAHUYORSBNHWAX-OAHLLOKOSA-N 1 1 279.387 3.406 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001266215322 808227906 /nfs/dbraw/zinc/22/79/06/808227906.db2.gz JELCYKJTNLUKTF-FUHWJXTLSA-N 1 1 298.430 3.132 20 30 CGEDMO C#CCCCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001266215329 808229017 /nfs/dbraw/zinc/22/90/17/808229017.db2.gz JELCYKJTNLUKTF-WMZOPIPTSA-N 1 1 298.430 3.132 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C1(CC)CCC1 ZINC001266228802 808230580 /nfs/dbraw/zinc/23/05/80/808230580.db2.gz OSZQTEIYUSGWDS-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CCC[N@@H+](CC=C(C)C)C1 ZINC001266237070 808232243 /nfs/dbraw/zinc/23/22/43/808232243.db2.gz QDVXFNQRGSBLJX-DOTOQJQBSA-N 1 1 278.440 3.136 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)CCCCCC)C1 ZINC001266243331 808232362 /nfs/dbraw/zinc/23/23/62/808232362.db2.gz RVCORJDBUYJJTN-DLBZAZTESA-N 1 1 292.467 3.197 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)CCCCCC)C1 ZINC001266243331 808232367 /nfs/dbraw/zinc/23/23/67/808232367.db2.gz RVCORJDBUYJJTN-DLBZAZTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001266341161 808245217 /nfs/dbraw/zinc/24/52/17/808245217.db2.gz BCFMYOWAORFKTM-ZBFHGGJFSA-N 1 1 292.448 3.041 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccsc2Cl)C1 ZINC001266345415 808246458 /nfs/dbraw/zinc/24/64/58/808246458.db2.gz SXXGCPNTXITCBQ-LLVKDONJSA-N 1 1 298.839 3.172 20 30 CGEDMO CCCCCCC[C@H](CC)[NH2+]C1(C(=O)OC)CCOCC1 ZINC001172351000 808248467 /nfs/dbraw/zinc/24/84/67/808248467.db2.gz QPMMRZDIUAZLFL-HNNXBMFYSA-N 1 1 299.455 3.437 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC001172354487 808250896 /nfs/dbraw/zinc/25/08/96/808250896.db2.gz HUMBOXZCWOYHEA-HUUCEWRRSA-N 1 1 282.428 3.262 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@@H+]1CCO[C@@H](CN(C)C)C1 ZINC001172357224 808252379 /nfs/dbraw/zinc/25/23/79/808252379.db2.gz JOEJUSDXNFCNSN-SJORKVTESA-N 1 1 284.488 3.388 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CCO[C@@H](CN(C)C)C1 ZINC001172357224 808252382 /nfs/dbraw/zinc/25/23/82/808252382.db2.gz JOEJUSDXNFCNSN-SJORKVTESA-N 1 1 284.488 3.388 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC001172356567 808252434 /nfs/dbraw/zinc/25/24/34/808252434.db2.gz WZSFTIZTZFKGQG-LSDHHAIUSA-N 1 1 289.485 3.244 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@@H](O)[C@](C)(CO)C1 ZINC001172359618 808253530 /nfs/dbraw/zinc/25/35/30/808253530.db2.gz ZDRYXEWNSNSJEW-BBWFWOEESA-N 1 1 285.472 3.191 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CCNC(=O)[C@]1(C)C=CCC1)C1CC1 ZINC001266606938 808294512 /nfs/dbraw/zinc/29/45/12/808294512.db2.gz JQLJAENOTJJLNY-CRAIPNDOSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)C[N@@H+](CCNC(=O)c1ccc(C2CC2)cc1)C1CC1 ZINC001266619322 808298121 /nfs/dbraw/zinc/29/81/21/808298121.db2.gz IRWFFGIZOWUQGU-UHFFFAOYSA-N 1 1 298.430 3.334 20 30 CGEDMO CC(C)OCC[C@H](C)[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001172442698 808317803 /nfs/dbraw/zinc/31/78/03/808317803.db2.gz JNNVBYZAKILHJS-AWEZNQCLSA-N 1 1 272.392 3.120 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@H](C)CC ZINC001266839457 808322015 /nfs/dbraw/zinc/32/20/15/808322015.db2.gz BAKWSADSIOQMAB-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](C)CCC ZINC001266836990 808322155 /nfs/dbraw/zinc/32/21/55/808322155.db2.gz GPEVOHDKJOMLQC-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C)co1 ZINC001266852939 808324035 /nfs/dbraw/zinc/32/40/35/808324035.db2.gz BOCUPKGERLBRSY-HNNXBMFYSA-N 1 1 290.407 3.139 20 30 CGEDMO C#CCCCC(=O)N[C@H](C)[C@@H]1CCC[N@H+](CCC(C)C)C1 ZINC001266891836 808331078 /nfs/dbraw/zinc/33/10/78/808331078.db2.gz LFRYNLQTOKLVJT-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001172491606 808352112 /nfs/dbraw/zinc/35/21/12/808352112.db2.gz FONOPKBBMTXELI-YNEHKIRRSA-N 1 1 292.345 3.094 20 30 CGEDMO C[C@H](CCCC#N)[N@@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001172497373 808353205 /nfs/dbraw/zinc/35/32/05/808353205.db2.gz BJJJRMRHNGYKRG-IXDOHACOSA-N 1 1 277.456 3.408 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCCC[C@@H]1C[C@@H]1CCCN1C ZINC001172497373 808353214 /nfs/dbraw/zinc/35/32/14/808353214.db2.gz BJJJRMRHNGYKRG-IXDOHACOSA-N 1 1 277.456 3.408 20 30 CGEDMO C[C@@H](CCCC#N)[N@@H+](C)Cc1nc2ccccc2o1 ZINC001172500079 808355066 /nfs/dbraw/zinc/35/50/66/808355066.db2.gz JLLJKEJOTWERPW-LBPRGKRZSA-N 1 1 257.337 3.342 20 30 CGEDMO C#Cc1ccc(C(=O)N2CCC[C@@H]([N@H+](C)CCCC)C2)cc1 ZINC001267107660 808359612 /nfs/dbraw/zinc/35/96/12/808359612.db2.gz FYUDGWNJDGDIEK-GOSISDBHSA-N 1 1 298.430 3.004 20 30 CGEDMO C[C@H](CCCC#N)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001172503165 808359637 /nfs/dbraw/zinc/35/96/37/808359637.db2.gz YGQAZLFOIIWADW-SJORKVTESA-N 1 1 285.435 3.448 20 30 CGEDMO CCCCCCCC[C@@H](CC)[N@H+]1CCC[C@H]1C(N)=O ZINC001172505666 808359851 /nfs/dbraw/zinc/35/98/51/808359851.db2.gz RLPGAHDPMREWBH-CABCVRRESA-N 1 1 268.445 3.465 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCCC[C@H]1C(=O)OC(C)(C)C ZINC001172503986 808360249 /nfs/dbraw/zinc/36/02/49/808360249.db2.gz DGAMWXTVTGJFKM-KBPBESRZSA-N 1 1 280.412 3.265 20 30 CGEDMO CCCCCCCC[C@@H](CC)[N@@H+](C)CC(=O)NC ZINC001172504803 808360333 /nfs/dbraw/zinc/36/03/33/808360333.db2.gz GNTUCFXYVWUNSY-CQSZACIVSA-N 1 1 256.434 3.193 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@H]1C(=O)Nc1ccccc1 ZINC001172508075 808364074 /nfs/dbraw/zinc/36/40/74/808364074.db2.gz BBHZZVQLPZCGSI-ZBFHGGJFSA-N 1 1 285.391 3.172 20 30 CGEDMO CCCCCCC[C@@H](CCC)[N@H+]1CCOC[C@@H](O)C1 ZINC001172509023 808365413 /nfs/dbraw/zinc/36/54/13/808365413.db2.gz RLDYJWVKQYWOGW-CVEARBPZSA-N 1 1 271.445 3.209 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001172509875 808365431 /nfs/dbraw/zinc/36/54/31/808365431.db2.gz SILWEYRCTFRHNN-QRQLOZEOSA-N 1 1 297.446 3.275 20 30 CGEDMO C=CC[C@@H]([NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1)C(=O)OC ZINC001172537645 808371207 /nfs/dbraw/zinc/37/12/07/808371207.db2.gz SMAGDVHRMHIFTK-BRWVUGGUSA-N 1 1 287.403 3.420 20 30 CGEDMO C=CCCC(=O)NCC[N@@H+](C)Cc1c(C)cccc1Cl ZINC001267188297 808378144 /nfs/dbraw/zinc/37/81/44/808378144.db2.gz NNAZZSLAYKQBAK-UHFFFAOYSA-N 1 1 294.826 3.163 20 30 CGEDMO C=CCCC(=O)NCC[N@H+](C)Cc1c(C)cccc1Cl ZINC001267188297 808378149 /nfs/dbraw/zinc/37/81/49/808378149.db2.gz NNAZZSLAYKQBAK-UHFFFAOYSA-N 1 1 294.826 3.163 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](CNC(=O)C2(F)CCCC2)C1 ZINC001267297319 808406462 /nfs/dbraw/zinc/40/64/62/808406462.db2.gz HEHPHMJRVCWJSE-GJZGRUSLSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)CCCC)C1 ZINC001267291927 808407235 /nfs/dbraw/zinc/40/72/35/808407235.db2.gz ORVLAKOUTWVMCO-CVEARBPZSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@@H+](CCC)CCNC(=O)[C@H](C)C(C)(C)C ZINC001267314740 808411662 /nfs/dbraw/zinc/41/16/62/808411662.db2.gz BTDCUBCXMZOQNJ-HNNXBMFYSA-N 1 1 282.472 3.463 20 30 CGEDMO C=CC[N@H+](CCNC(=O)c1cc2c(cccc2C)o1)C1CC1 ZINC001267337891 808417835 /nfs/dbraw/zinc/41/78/35/808417835.db2.gz LTZGNGPTBXRQNN-UHFFFAOYSA-N 1 1 298.386 3.121 20 30 CGEDMO C#CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H](CC)CCCC)C1 ZINC001267449809 808427872 /nfs/dbraw/zinc/42/78/72/808427872.db2.gz GCRVOOHGNBFSSF-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H](CC)CCCC)C1 ZINC001267449809 808427878 /nfs/dbraw/zinc/42/78/78/808427878.db2.gz GCRVOOHGNBFSSF-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)C12CCC(CC1)C2)C(C)C ZINC001267503413 808435147 /nfs/dbraw/zinc/43/51/47/808435147.db2.gz GOYXOTRMRJXULH-UHFFFAOYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)C2CC=CC2)C1 ZINC001267513517 808436347 /nfs/dbraw/zinc/43/63/47/808436347.db2.gz KQKOLNTZTDQSSH-JKSUJKDBSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCCC(=O)N(CCC)[C@H]1CC[N@@H+](CCC(=C)C)C1 ZINC001267537564 808440521 /nfs/dbraw/zinc/44/05/21/808440521.db2.gz JQAFODMFIKPLGS-INIZCTEOSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCC(C)(C)C(=O)NCC[C@H]1CC[N@H+](C[C@H](C)CC)C1 ZINC001267567834 808449800 /nfs/dbraw/zinc/44/98/00/808449800.db2.gz QKJYOSNUGWPQFI-CVEARBPZSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cscc2C)C1 ZINC001267580325 808452109 /nfs/dbraw/zinc/45/21/09/808452109.db2.gz UTXNPTWNIBMZGH-AWEZNQCLSA-N 1 1 292.448 3.027 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001267594640 808454816 /nfs/dbraw/zinc/45/48/16/808454816.db2.gz LCILZSVXCYLAJS-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C)c2)C1 ZINC001267609838 808457297 /nfs/dbraw/zinc/45/72/97/808457297.db2.gz UOUKGJBEJFOZLJ-QGZVFWFLSA-N 1 1 286.419 3.155 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H](C[N@H+](C)C[C@@H](F)CC)C1 ZINC001267669479 808468422 /nfs/dbraw/zinc/46/84/22/808468422.db2.gz FRQRQUYGHZYYQK-GJZGRUSLSA-N 1 1 298.446 3.117 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001267724158 808478501 /nfs/dbraw/zinc/47/85/01/808478501.db2.gz ULRSQTLWIQFZNE-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)c2ccc(F)s2)C1 ZINC001267735172 808480584 /nfs/dbraw/zinc/48/05/84/808480584.db2.gz MWYMQWWVMBRHGN-RYUDHWBXSA-N 1 1 296.411 3.046 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](NC(=O)c2c[nH]cc2C)C1 ZINC001267754467 808485049 /nfs/dbraw/zinc/48/50/49/808485049.db2.gz JGCANZWZXQXJDV-OAHLLOKOSA-N 1 1 291.439 3.098 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001267766330 808486255 /nfs/dbraw/zinc/48/62/55/808486255.db2.gz ACHDEVFYZPSXJN-BZUAXINKSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC1(C(=O)N(C)[C@H]2CC[N@H+](C[C@@H](C)CC)C2)CCC1 ZINC001267771432 808488835 /nfs/dbraw/zinc/48/88/35/808488835.db2.gz GLCFHQJIEMYESK-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CCC[N@H+](C[C@H](C)CC)C1 ZINC001268194415 808554139 /nfs/dbraw/zinc/55/41/39/808554139.db2.gz ISLXZSHTAHJCSF-WBVHZDCISA-N 1 1 292.467 3.382 20 30 CGEDMO C=CC[N@@H+](C)CCC1CCN(C(=O)[C@]2(C)C=CCC2)CC1 ZINC001268199082 808555799 /nfs/dbraw/zinc/55/57/99/808555799.db2.gz ATZGVPFTUSSFRM-GOSISDBHSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C2(CCC)CC2)C1 ZINC001268225092 808560512 /nfs/dbraw/zinc/56/05/12/808560512.db2.gz VONNBLIVZBYCCT-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)C(F)=C1CCCC1 ZINC001268232545 808564268 /nfs/dbraw/zinc/56/42/68/808564268.db2.gz NKENMNJVLUNMLM-UHFFFAOYSA-N 1 1 282.403 3.140 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)c1ccc(F)c(Cl)c1 ZINC001268248127 808568527 /nfs/dbraw/zinc/56/85/27/808568527.db2.gz UXAYDNWAAKVHPN-UHFFFAOYSA-N 1 1 298.789 3.059 20 30 CGEDMO C=CCOC(=O)[C@@H]([NH2+][C@@H]1CC[C@H](CC)C1)[C@@H](C)CC ZINC001173265718 808570709 /nfs/dbraw/zinc/57/07/09/808570709.db2.gz IMURXDMFQNEVNL-XQLPTFJDSA-N 1 1 267.413 3.299 20 30 CGEDMO CCCCCCCC[C@@H](CCC)[N@H+]1C[C@H](O)C[C@@H]1CO ZINC001173308617 808604681 /nfs/dbraw/zinc/60/46/81/808604681.db2.gz BLSJPYWSXKWPPZ-BRWVUGGUSA-N 1 1 285.472 3.333 20 30 CGEDMO C=CCOC1CCC([N@@H+]2CCC(F)(F)[C@H](F)C2)CC1 ZINC001173320325 808611304 /nfs/dbraw/zinc/61/13/04/808611304.db2.gz GKGIQBFGYZZBSW-WXRRBKDZSA-N 1 1 277.330 3.179 20 30 CGEDMO C=CCOC1CCC([N@H+]2CCc3ncsc3C2)CC1 ZINC001173322997 808611317 /nfs/dbraw/zinc/61/13/17/808611317.db2.gz ATKZTWGUQSSLHK-UHFFFAOYSA-N 1 1 278.421 3.015 20 30 CGEDMO C=CCOC1CCC([N@H+]2Cc3nc(C)sc3C2)CC1 ZINC001173322600 808611502 /nfs/dbraw/zinc/61/15/02/808611502.db2.gz GJHRJNRQPHRWGQ-UHFFFAOYSA-N 1 1 278.421 3.281 20 30 CGEDMO C=CCOC1CCC([N@@H+]2Cc3nc(C)sc3C2)CC1 ZINC001173322600 808611508 /nfs/dbraw/zinc/61/15/08/808611508.db2.gz GJHRJNRQPHRWGQ-UHFFFAOYSA-N 1 1 278.421 3.281 20 30 CGEDMO C=CCOC1CCC([N@H+]2CC[C@@]3(C2)CCCOC3)CC1 ZINC001173326725 808612633 /nfs/dbraw/zinc/61/26/33/808612633.db2.gz OLNBJCRNRYNOPK-OFLPRAFFSA-N 1 1 279.424 3.003 20 30 CGEDMO C[C@H]1C[N@H+](C2CCC(CC#N)CC2)CCC1(F)F ZINC001173331949 808615851 /nfs/dbraw/zinc/61/58/51/808615851.db2.gz VJJUUGOSPRWCSU-HIFPTAJRSA-N 1 1 256.340 3.436 20 30 CGEDMO Cc1nnc([C@@H]2CCC[N@H+](C3CCC(CC#N)CC3)C2)o1 ZINC001173336589 808617680 /nfs/dbraw/zinc/61/76/80/808617680.db2.gz FOTNYRSEADKZLR-SHARSMKWSA-N 1 1 288.395 3.030 20 30 CGEDMO Cc1cc2c(cn1)C[N@H+](C1CCC(CC#N)CC1)C2 ZINC001173337239 808618529 /nfs/dbraw/zinc/61/85/29/808618529.db2.gz COKPMOLNDYEGFP-UHFFFAOYSA-N 1 1 255.365 3.178 20 30 CGEDMO CC[N@@H+](Cc1ccccn1)C1CCC(CC#N)CC1 ZINC001173337856 808618557 /nfs/dbraw/zinc/61/85/57/808618557.db2.gz UOAPSMZTXNIYSN-UHFFFAOYSA-N 1 1 257.381 3.376 20 30 CGEDMO Cc1cccnc1O[C@H]1CC[N@H+](C2CCC(CC#N)CC2)C1 ZINC001173341478 808620894 /nfs/dbraw/zinc/62/08/94/808620894.db2.gz WTSSRSWXJJOJDD-JCYILVPMSA-N 1 1 299.418 3.316 20 30 CGEDMO C=CCCCCCCCCC(=O)N1CC2(C1)CC[N@H+](C)C2 ZINC001268834961 808631919 /nfs/dbraw/zinc/63/19/19/808631919.db2.gz REZNEPOPVWQERX-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC2(C1)CC[N@H+](C1CCCC1)C2 ZINC001268985122 808640289 /nfs/dbraw/zinc/64/02/89/808640289.db2.gz IGFMSFNHNOGVCX-UHFFFAOYSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)CC(C)(C)C)C1 ZINC001269092186 808647870 /nfs/dbraw/zinc/64/78/70/808647870.db2.gz QWEYOXRYPJFCKV-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CCc3ccc(C#N)cc3C2)CC1 ZINC001173594214 808650022 /nfs/dbraw/zinc/65/00/22/808650022.db2.gz VPDRFNSFSQBQNF-UHFFFAOYSA-N 1 1 279.387 3.389 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CCc3cc(C#N)ccc3C2)CC1 ZINC001173594228 808650196 /nfs/dbraw/zinc/65/01/96/808650196.db2.gz VWCIZOXGTVEARQ-UHFFFAOYSA-N 1 1 279.387 3.389 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC001269215217 808655519 /nfs/dbraw/zinc/65/55/19/808655519.db2.gz NUVOWMHRKLBOBT-KBPBESRZSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2)C1 ZINC001269208696 808656360 /nfs/dbraw/zinc/65/63/60/808656360.db2.gz POYCOKMXWDTLEQ-DOTOQJQBSA-N 1 1 286.419 3.188 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)CCCC)C1 ZINC001269235462 808660005 /nfs/dbraw/zinc/66/00/05/808660005.db2.gz XQWLYNGCRJPFOE-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CCCCCC(=O)N(CC)[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC001269319572 808669337 /nfs/dbraw/zinc/66/93/37/808669337.db2.gz ZEJHZWIZDBECMP-KRWDZBQOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)CC2CCC2)C1 ZINC001269319087 808670410 /nfs/dbraw/zinc/67/04/10/808670410.db2.gz TZPYCYHUCPVDFS-NVXWUHKLSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC(C)(C)CC(=O)N(CC)[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001269332512 808671176 /nfs/dbraw/zinc/67/11/76/808671176.db2.gz RTJRANVMTCHAQW-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C2CC2)cc1 ZINC001269353007 808672937 /nfs/dbraw/zinc/67/29/37/808672937.db2.gz YOKCTNMMYHVZCB-SFHVURJKSA-N 1 1 298.430 3.334 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@H]1[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001269558494 808689366 /nfs/dbraw/zinc/68/93/66/808689366.db2.gz YTERASACPSVNBE-SJORKVTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CCC ZINC001269584560 808690170 /nfs/dbraw/zinc/69/01/70/808690170.db2.gz ZIUAOSMOHHYJRC-XHSDSOJGSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)C3(C)CC3)C2)C1 ZINC001269732292 808702955 /nfs/dbraw/zinc/70/29/55/808702955.db2.gz QPYTYZSUCMWGSS-CRAIPNDOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)/C=C/C(C)(C)C)CC1 ZINC001270212734 808721675 /nfs/dbraw/zinc/72/16/75/808721675.db2.gz HATOYLKCEYLWJB-VOTSOKGWSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)/C=C(/C)CC)CC1 ZINC001270225794 808722395 /nfs/dbraw/zinc/72/23/95/808722395.db2.gz OOCVZTQVYGMRKY-BENRWUELSA-N 1 1 284.831 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)C[C@H](C)CCC)C1 ZINC001270556473 808734487 /nfs/dbraw/zinc/73/44/87/808734487.db2.gz DVOSNLHBTLKKLJ-WBVHZDCISA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)C[C@H](C)CCC)C1 ZINC001270556470 808735611 /nfs/dbraw/zinc/73/56/11/808735611.db2.gz DVOSNLHBTLKKLJ-NVXWUHKLSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC2(C)C)C1 ZINC001270576663 808737149 /nfs/dbraw/zinc/73/71/49/808737149.db2.gz MGJAAJIODTUKOW-CRAIPNDOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)C[C@H](C)CCCCC)C1 ZINC001270631913 808739641 /nfs/dbraw/zinc/73/96/41/808739641.db2.gz GWTZJBJYCRRLSQ-NVXWUHKLSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CCC(=O)NC[C@]1(C)CCC[N@H+](CC[C@H](C)F)C1 ZINC001270965628 808756286 /nfs/dbraw/zinc/75/62/86/808756286.db2.gz LXFZPPSKAYQHRV-RDJZCZTQSA-N 1 1 298.446 3.309 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](F)C(C)C)C1 ZINC001270982045 808758158 /nfs/dbraw/zinc/75/81/58/808758158.db2.gz FCLSPSDMZZIMQE-RDJZCZTQSA-N 1 1 298.446 3.165 20 30 CGEDMO C=CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@@H]2C(C)C)CC1 ZINC001271790141 808783822 /nfs/dbraw/zinc/78/38/22/808783822.db2.gz GMVPAGNZZDDGIG-IAGOWNOFSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC1CC1 ZINC001272014389 808792527 /nfs/dbraw/zinc/79/25/27/808792527.db2.gz AYMGAQIXMPIIEZ-IRXDYDNUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](CC)C(C)C ZINC001272042700 808794609 /nfs/dbraw/zinc/79/46/09/808794609.db2.gz IGXPRPFDUKSYOY-IXDOHACOSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@H](C)CC ZINC001272042332 808795270 /nfs/dbraw/zinc/79/52/70/808795270.db2.gz CXFNDXJIEBRPKW-IXDOHACOSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)CN1c2ccccc2[C@@]2(CC[N@H+](CC(C)C)C2)C1=O ZINC001272413503 808805505 /nfs/dbraw/zinc/80/55/05/808805505.db2.gz VROXQLPLFLIAML-IBGZPJMESA-N 1 1 298.430 3.209 20 30 CGEDMO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCC1CCCC1 ZINC001273165246 808836686 /nfs/dbraw/zinc/83/66/86/808836686.db2.gz BGULKARCQJVJRP-IAGOWNOFSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)c1sccc1C ZINC001273481398 808846588 /nfs/dbraw/zinc/84/65/88/808846588.db2.gz DMMCBXMOMLWDJX-UHFFFAOYSA-N 1 1 294.464 3.417 20 30 CGEDMO C=CCCCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C1CCCC1 ZINC001273495443 808849500 /nfs/dbraw/zinc/84/95/00/808849500.db2.gz XMSOUULNBNMRTC-IAGOWNOFSA-N 1 1 290.451 3.351 20 30 CGEDMO C=CCCCC[N@@H+]1CCCC[C@@]12CC(=O)N(CC(=C)C)C2 ZINC001273500949 808849891 /nfs/dbraw/zinc/84/98/91/808849891.db2.gz OQYWNQHIRCRWKH-SFHVURJKSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCN(C)C(=O)C1(C)CC(=C)C1 ZINC001273560457 808853204 /nfs/dbraw/zinc/85/32/04/808853204.db2.gz NYWGYNGIVWJXME-MRXNPFEDSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)[C@@H]1C[C@@H]1C(C)C ZINC001273577638 808854919 /nfs/dbraw/zinc/85/49/19/808854919.db2.gz DBPVKDICJCQSPF-HZPDHXFCSA-N 1 1 280.456 3.025 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]([C@H]2CCC[N@H+](CC)C2)C1 ZINC001273598905 808856017 /nfs/dbraw/zinc/85/60/17/808856017.db2.gz KDRSKZBPOAYFTC-IRXDYDNUSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@H+](CC)C1 ZINC001273607449 808857263 /nfs/dbraw/zinc/85/72/63/808857263.db2.gz NPJDLPOLBDHBPL-IAGOWNOFSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)/C=C/C(C)(C)C)C(C)(C)C1 ZINC001274425110 808876311 /nfs/dbraw/zinc/87/63/11/808876311.db2.gz JZAQVGXOLWSMGK-HQPKTYMTSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)CC1CCCCC1 ZINC001275086358 808905880 /nfs/dbraw/zinc/90/58/80/808905880.db2.gz APKAHVYKBBVBOQ-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@H]1C[N@H+](C)C[C@@H](F)CC ZINC001275151331 808916705 /nfs/dbraw/zinc/91/67/05/808916705.db2.gz ZTMTZNFNPQAPQT-GJZGRUSLSA-N 1 1 298.446 3.260 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)c1occc1C(C)C ZINC001275629082 808953227 /nfs/dbraw/zinc/95/32/27/808953227.db2.gz JKKRVFPKMQKEAE-ZDUSSCGKSA-N 1 1 278.396 3.029 20 30 CGEDMO C=CCCC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccc(C)c(C)c1 ZINC001275781392 808965698 /nfs/dbraw/zinc/96/56/98/808965698.db2.gz LJOXNSMKDIPSQM-MRXNPFEDSA-N 1 1 288.435 3.206 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)CC(C)C ZINC001276278337 808997968 /nfs/dbraw/zinc/99/79/68/808997968.db2.gz PTYNPBZBNZHVNW-AWEZNQCLSA-N 1 1 286.847 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)CC(C)C ZINC001276278337 808997973 /nfs/dbraw/zinc/99/79/73/808997973.db2.gz PTYNPBZBNZHVNW-AWEZNQCLSA-N 1 1 286.847 3.146 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1C[N@H+](C/C=C\Cl)CC1(C)C ZINC001276609412 809020580 /nfs/dbraw/zinc/02/05/80/809020580.db2.gz WODSZLFHPBLQCH-JWJUJFCLSA-N 1 1 298.858 3.168 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1C[N@@H+](C/C=C\Cl)CC1(C)C ZINC001276609412 809020589 /nfs/dbraw/zinc/02/05/89/809020589.db2.gz WODSZLFHPBLQCH-JWJUJFCLSA-N 1 1 298.858 3.168 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H]1C[N@@H+](CCC(C)C)CC1(C)C ZINC001276608503 809020779 /nfs/dbraw/zinc/02/07/79/809020779.db2.gz QVDQBRUPZFFJQP-MAUKXSAKSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CC[N@@H+]2CC(C)C)CCCCC1 ZINC001276979878 809051321 /nfs/dbraw/zinc/05/13/21/809051321.db2.gz RNKVEDWWWOVDRP-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCCCCC[N@@H+](C)C1CCN(C(=O)[C@H](C)C#N)CC1 ZINC001277384628 809073110 /nfs/dbraw/zinc/07/31/10/809073110.db2.gz CHBQXVCUZJGMPS-OAHLLOKOSA-N 1 1 293.455 3.039 20 30 CGEDMO C=CCCC(=O)N1CC[C@@]2(CC[N@@H+](CC3CCCC3)C2)C1 ZINC001277509861 809078400 /nfs/dbraw/zinc/07/84/00/809078400.db2.gz QLKZSZUWPNHNRD-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)/C=C\C(C)(C)C)C2)C1 ZINC001277509566 809079114 /nfs/dbraw/zinc/07/91/14/809079114.db2.gz NOCZLRLTXKRDCE-ZEVQVBBLSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C)C(CC)CC)C2)C1 ZINC001277526173 809079254 /nfs/dbraw/zinc/07/92/54/809079254.db2.gz YGFKDWKAYFDBHC-YJBOKZPZSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@]2(CC[N@@H+](CC3CCC3)C2)C1 ZINC001277516789 809079426 /nfs/dbraw/zinc/07/94/26/809079426.db2.gz ONXXFMJWFQIASV-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)/C(C)=C/CC)CC1 ZINC001278031405 809112525 /nfs/dbraw/zinc/11/25/25/809112525.db2.gz RDGAGWNWOVATMN-WUXMJOGZSA-N 1 1 284.831 3.066 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)C=C(CC)CC)CC1 ZINC001278045150 809113116 /nfs/dbraw/zinc/11/31/16/809113116.db2.gz CAISHIOVDQAJCC-UHFFFAOYSA-N 1 1 298.858 3.456 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@](C)(NC(=O)C2(CCF)CC2)C1 ZINC001278413375 809131384 /nfs/dbraw/zinc/13/13/84/809131384.db2.gz BYNAKAAPWYTAJU-HOCLYGCPSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@]12CCC[C@@H]1[N@@H+](CCC)CC2 ZINC001278449916 809135379 /nfs/dbraw/zinc/13/53/79/809135379.db2.gz AHLLKSGFWFWLIM-FUHWJXTLSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@H](C)C(CC)CC)CCC[C@H]12 ZINC001278450490 809135515 /nfs/dbraw/zinc/13/55/15/809135515.db2.gz DDPNBZNZCLZIOE-UWWQBHOKSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)CC(C)(C)C2CC2)[C@@H]1C ZINC001278511949 809139450 /nfs/dbraw/zinc/13/94/50/809139450.db2.gz YWJVQWOCZYKRQG-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)CCCCC(C)C)[C@H]1C ZINC001278526375 809140578 /nfs/dbraw/zinc/14/05/78/809140578.db2.gz IQZYIICGSHCRHK-IAGOWNOFSA-N 1 1 292.467 3.195 20 30 CGEDMO CC#CC[N@@H+](C)CCN(C(=O)[C@@H]1CCC[C@H](C)C1)C(C)C ZINC001278917785 809155599 /nfs/dbraw/zinc/15/55/99/809155599.db2.gz IVOIYCFXNUCNFF-DLBZAZTESA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)/C(C)=C\C)C2 ZINC001279212755 809167789 /nfs/dbraw/zinc/16/77/89/809167789.db2.gz GTJYNGNEZQVNQF-IUIVJDMOSA-N 1 1 296.842 3.064 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)/C(C)=C\C)CC1 ZINC001279527230 809173550 /nfs/dbraw/zinc/17/35/50/809173550.db2.gz CCOLTSJSOFCVLU-XXUROBRHSA-N 1 1 276.424 3.056 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC(C)C ZINC001279542790 809174222 /nfs/dbraw/zinc/17/42/22/809174222.db2.gz PVSDTYKZVGQVIU-CVEARBPZSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC(=C)C ZINC001279564450 809174733 /nfs/dbraw/zinc/17/47/33/809174733.db2.gz DZKWFKQMFASEKJ-HOTGVXAUSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)CC(C)C ZINC001279585790 809175585 /nfs/dbraw/zinc/17/55/85/809175585.db2.gz DDGHGUZGOHURNF-YESZJQIVSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H](CC)CCC)CC1 ZINC001279660325 809177141 /nfs/dbraw/zinc/17/71/41/809177141.db2.gz CTQQURIABYTMNR-MRXNPFEDSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)[C@@H]1C[C@]1(C)C(C)C ZINC001280872555 809203421 /nfs/dbraw/zinc/20/34/21/809203421.db2.gz GSJBDQDYKMPBLZ-FUHWJXTLSA-N 1 1 294.483 3.415 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)CC)C[C@@H]1C ZINC001281644581 809215075 /nfs/dbraw/zinc/21/50/75/809215075.db2.gz LVAGKAKWCYRIND-GJZGRUSLSA-N 1 1 268.445 3.336 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(CC)CC)C(C)(C)C1 ZINC001281566144 809215205 /nfs/dbraw/zinc/21/52/05/809215205.db2.gz DTOBWKSZRPECBC-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(CC)CC2)C(C)(C)C1 ZINC001281553194 809215656 /nfs/dbraw/zinc/21/56/56/809215656.db2.gz OVKYXASJNIIQBP-CYBMUJFWSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(CC)CC2)C(C)(C)C1 ZINC001281553194 809215661 /nfs/dbraw/zinc/21/56/61/809215661.db2.gz OVKYXASJNIIQBP-CYBMUJFWSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1ccccc1 ZINC001282344614 809241354 /nfs/dbraw/zinc/24/13/54/809241354.db2.gz XBUBBXALDWNQOR-HUUCEWRRSA-N 1 1 274.408 3.091 20 30 CGEDMO CC#CCCCC(=O)NC[C@@H](C)[N@@H+](C)CC1CCCCC1 ZINC001282448620 809247756 /nfs/dbraw/zinc/24/77/56/809247756.db2.gz BEZRTZJZIQHXSL-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H](C)[N@H+](C)CCCCC)CC1 ZINC001282454804 809248165 /nfs/dbraw/zinc/24/81/65/809248165.db2.gz INMYEXOEFWMVGR-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)c1cccc(C)c1Cl ZINC001282469317 809249942 /nfs/dbraw/zinc/24/99/42/809249942.db2.gz PLFBEZSCARJTNZ-ZDUSSCGKSA-N 1 1 294.826 3.275 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCCCC[N@H+]1CC(=C)Cl ZINC001282661762 809258063 /nfs/dbraw/zinc/25/80/63/809258063.db2.gz MGPNPOJLZRIENX-CQSZACIVSA-N 1 1 284.831 3.066 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCCCC[N@@H+]1CC(=C)Cl ZINC001282661762 809258073 /nfs/dbraw/zinc/25/80/73/809258073.db2.gz MGPNPOJLZRIENX-CQSZACIVSA-N 1 1 284.831 3.066 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)C(C)(C)F)C2)C1 ZINC001282958642 809267087 /nfs/dbraw/zinc/26/70/87/809267087.db2.gz PQBBBMXDGIALKT-AWEZNQCLSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)[C@@](C)(F)CCCC)CC1 ZINC001283317708 809275385 /nfs/dbraw/zinc/27/53/85/809275385.db2.gz RLARAARHGHSSID-INIZCTEOSA-N 1 1 284.419 3.014 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H](C)CCC)CCC[C@@H]12 ZINC001284044148 809294475 /nfs/dbraw/zinc/29/44/75/809294475.db2.gz IQZNJXGUZNXONY-BFYDXBDKSA-N 1 1 278.440 3.112 20 30 CGEDMO C[N@H+]1CCC=C(Nc2ccc(C(F)(F)F)cc2C#N)C1 ZINC001175579721 809459384 /nfs/dbraw/zinc/45/93/84/809459384.db2.gz QEVQWUKUGJWCOK-UHFFFAOYSA-N 1 1 281.281 3.208 20 30 CGEDMO C=CC1(CC(=O)N[C@@H](C)C[N@H+](C)C(C)C)CCCCC1 ZINC001298821893 809538885 /nfs/dbraw/zinc/53/88/85/809538885.db2.gz PILGZYANZIUEIF-HNNXBMFYSA-N 1 1 280.456 3.358 20 30 CGEDMO C[C@]12C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001176619765 809732001 /nfs/dbraw/zinc/73/20/01/809732001.db2.gz MUSHTZJSJSDRHC-JXSMBQFASA-N 1 1 282.362 3.341 20 30 CGEDMO Cc1cc(CNc2ccc3[nH]c[nH+]c3c2)ccc1C#N ZINC001178688576 809882934 /nfs/dbraw/zinc/88/29/34/809882934.db2.gz JOSZTVLLGPJUBB-UHFFFAOYSA-N 1 1 262.316 3.355 20 30 CGEDMO CCCCCCCCC(=O)N[C@@H]1C[N@@H+](C)CC1(C)C ZINC001178710276 809884668 /nfs/dbraw/zinc/88/46/68/809884668.db2.gz YODSCZHNWLHKAO-CQSZACIVSA-N 1 1 268.445 3.193 20 30 CGEDMO C#CC[N@@H+](Cc1cc(F)c(F)cc1O)C1CCCCC1 ZINC001180030139 809969026 /nfs/dbraw/zinc/96/90/26/809969026.db2.gz IUMNEILJHDHIEH-UHFFFAOYSA-N 1 1 279.330 3.438 20 30 CGEDMO C#CC[N@H+](Cc1cc(F)c(F)cc1O)C1CCCCC1 ZINC001180030139 809969029 /nfs/dbraw/zinc/96/90/29/809969029.db2.gz IUMNEILJHDHIEH-UHFFFAOYSA-N 1 1 279.330 3.438 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC=C(c3ccccc3)C2)n1 ZINC001181676164 810066503 /nfs/dbraw/zinc/06/65/03/810066503.db2.gz WHBGXXQPRBDGPH-UHFFFAOYSA-N 1 1 275.355 3.243 20 30 CGEDMO C=CCC[C@H]([NH2+][C@@H]1CCC[C@H](C2CC2)C1)C(=O)OCC ZINC001181826928 810074893 /nfs/dbraw/zinc/07/48/93/810074893.db2.gz IEJUVJUKILIWBA-XHSDSOJGSA-N 1 1 279.424 3.443 20 30 CGEDMO C=CC[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CC1CC1)c1ccccc1 ZINC001182561020 810115183 /nfs/dbraw/zinc/11/51/83/810115183.db2.gz NVAQUNZVXUJFJW-MSOLQXFVSA-N 1 1 298.430 3.294 20 30 CGEDMO CC#CCCCCCCCC(=O)N[C@]1(C)CCC[N@@H+](C)C1 ZINC001182772345 810124340 /nfs/dbraw/zinc/12/43/40/810124340.db2.gz VANLVQSVKROIFX-GOSISDBHSA-N 1 1 292.467 3.341 20 30 CGEDMO C#Cc1ccc(C[N@H+]2C[C@H]3[C@H]4C=C[C@H](C4)[C@@]3(C)C2)cc1 ZINC001184056431 810175433 /nfs/dbraw/zinc/17/54/33/810175433.db2.gz PWFAGDFQWFYHIR-ZSYWTGECSA-N 1 1 263.384 3.312 20 30 CGEDMO C=CCn1ncc2ccc(N[C@H]3CCC[N@H+](CC)C3)cc21 ZINC001184066474 810176556 /nfs/dbraw/zinc/17/65/56/810176556.db2.gz MKIGEXVUQIBUGF-INIZCTEOSA-N 1 1 284.407 3.119 20 30 CGEDMO C#CC[N@H+](C[C@@H](C)Cc1ccc(OC)c(F)c1)C(C)C ZINC001184115408 810178041 /nfs/dbraw/zinc/17/80/41/810178041.db2.gz GKBGRJUJCLOGGL-AWEZNQCLSA-N 1 1 277.383 3.357 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC001188592924 810491717 /nfs/dbraw/zinc/49/17/17/810491717.db2.gz PAILDBGVUIZSMJ-GDBMZVCRSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)CC2CC2)C1 ZINC001188611187 810493214 /nfs/dbraw/zinc/49/32/14/810493214.db2.gz UDDDCEGUSIPLOL-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)F)C1 ZINC001188617160 810493949 /nfs/dbraw/zinc/49/39/49/810493949.db2.gz FYGXQWJJRQPEMH-CQSZACIVSA-N 1 1 284.419 3.014 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)CC2CCCCC2)C1 ZINC001188765711 810511206 /nfs/dbraw/zinc/51/12/06/810511206.db2.gz RBEIZUJYBIDKLN-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@@H+](CC=C(C)C)C[C@H]21 ZINC001188897892 810521971 /nfs/dbraw/zinc/52/19/71/810521971.db2.gz ZHPNWFSMGVYCPK-YESZJQIVSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)CC)C1 ZINC001188924872 810522992 /nfs/dbraw/zinc/52/29/92/810522992.db2.gz IREZUUJITKUTTF-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)CCC)C1 ZINC001189287405 810556162 /nfs/dbraw/zinc/55/61/62/810556162.db2.gz DUOVFWYFMDQQDT-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)CCC(C)(C)C)[C@@H]2C1 ZINC001189497688 810572260 /nfs/dbraw/zinc/57/22/60/810572260.db2.gz FVJLEMRUZPEMTM-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C(F)=C(C)C)C1 ZINC001189619362 810583201 /nfs/dbraw/zinc/58/32/01/810583201.db2.gz BZPSRIBNPKHSNR-KGLIPLIRSA-N 1 1 282.403 3.137 20 30 CGEDMO C#CCCCCC(=O)N1CC[C@@H]([N@H+](C)CC/C=C\CC)C1 ZINC001189744552 810588488 /nfs/dbraw/zinc/58/84/88/810588488.db2.gz VHGSFEWBMYBXCB-NBEHIINDSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C2=CCCCCC2)C1 ZINC001189818595 810590973 /nfs/dbraw/zinc/59/09/73/810590973.db2.gz NHAUGPPFVMRZNB-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)CCCCCC)[C@@H]2C1 ZINC001190028534 810602854 /nfs/dbraw/zinc/60/28/54/810602854.db2.gz XCYBBPQRLABMPO-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)/C=C(/C)CC)C1 ZINC001190035146 810604909 /nfs/dbraw/zinc/60/49/09/810604909.db2.gz BNNUOTUFNZGMHR-YNLMUAPZSA-N 1 1 278.440 3.230 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)CCCC[C@H](C)CC)C1 ZINC001190371947 810623888 /nfs/dbraw/zinc/62/38/88/810623888.db2.gz XFDYBSGTFIBENI-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CCC(=C)C)C1 ZINC001190428461 810628272 /nfs/dbraw/zinc/62/82/72/810628272.db2.gz JBEPEBQUALBUTJ-HOTGVXAUSA-N 1 1 278.440 3.230 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C2(C3CC3)CC2)C1 ZINC001190816393 810650867 /nfs/dbraw/zinc/65/08/67/810650867.db2.gz CTKQFBSRTARGJN-HOCLYGCPSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C[C@H]2C=CCCC2)C1 ZINC001190879060 810654268 /nfs/dbraw/zinc/65/42/68/810654268.db2.gz NVRVQOKQUXFFCZ-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C23CCC(CC2)C3)C1 ZINC001190949184 810658889 /nfs/dbraw/zinc/65/88/89/810658889.db2.gz YWCPTGHPPFMVCZ-UPTPFMHGSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@](C)(F)CCCC)C1 ZINC001191040368 810665351 /nfs/dbraw/zinc/66/53/51/810665351.db2.gz IQYOKWXIQXUMJS-HOCLYGCPSA-N 1 1 284.419 3.014 20 30 CGEDMO CCCCCCCCNC(=O)N1CC[C@@H]([N@@H+](C)C2CC2)C1 ZINC001191068270 810669430 /nfs/dbraw/zinc/66/94/30/810669430.db2.gz KESZLMRYDSTVOJ-MRXNPFEDSA-N 1 1 295.471 3.225 20 30 CGEDMO CCCCCCCCNC(=O)N[C@@H]1C[C@H]2CC[N@@H+](C1)[C@H]2C ZINC001191075254 810670849 /nfs/dbraw/zinc/67/08/49/810670849.db2.gz SUDAMTCIMAQSCX-ARFHVFGLSA-N 1 1 295.471 3.129 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)C2CCCCCCC2)C1 ZINC001191275977 810696976 /nfs/dbraw/zinc/69/69/76/810696976.db2.gz YWVYHTIMNOWKEF-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C#CCCCCCC(=O)N1CC[C@H]([N@@H+](C)CCC(=C)C)C1 ZINC001191754020 810737130 /nfs/dbraw/zinc/73/71/30/810737130.db2.gz JOCOKOQTHYIAGZ-KRWDZBQOSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)C2CC2)C1 ZINC001191868353 810754664 /nfs/dbraw/zinc/75/46/64/810754664.db2.gz SABKMMQEKPRLPP-GOEBONIOSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CC[C@H]([N@@H+](C)CC2CCCC2)C1 ZINC001191902487 810755305 /nfs/dbraw/zinc/75/53/05/810755305.db2.gz OZTMLESMRRVGLP-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)CCCC2CC2)C1 ZINC001191902097 810755726 /nfs/dbraw/zinc/75/57/26/810755726.db2.gz MPDIWCXWVWYHLI-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)CCC)C1 ZINC001192114758 810769650 /nfs/dbraw/zinc/76/96/50/810769650.db2.gz NBKXAZDGRLJPEZ-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C2CCC(F)CC2)C1 ZINC001192170067 810772586 /nfs/dbraw/zinc/77/25/86/810772586.db2.gz GNUOQTHMPZNJGR-UYSNPLJNSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@@H]([N@@H+](C)CC=C(C)C)C1 ZINC001192161367 810772994 /nfs/dbraw/zinc/77/29/94/810772994.db2.gz IMGFNRWGNZPXBU-WBVHZDCISA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C2CCC(=C)CC2)C1 ZINC001192197186 810773579 /nfs/dbraw/zinc/77/35/79/810773579.db2.gz NCEURVQDXXSNKU-KRWDZBQOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+](Cc1cccc2c1OC(F)(F)O2)C1CC1 ZINC001192513854 810804069 /nfs/dbraw/zinc/80/40/69/810804069.db2.gz ACTFUMODPKNTLX-UHFFFAOYSA-N 1 1 267.275 3.159 20 30 CGEDMO C=CC[N@H+](Cc1cccc2c1OC(F)(F)O2)C1CC1 ZINC001192513854 810804076 /nfs/dbraw/zinc/80/40/76/810804076.db2.gz ACTFUMODPKNTLX-UHFFFAOYSA-N 1 1 267.275 3.159 20 30 CGEDMO CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001192501573 810804168 /nfs/dbraw/zinc/80/41/68/810804168.db2.gz OKNPIBCOOUBNGK-JKSUJKDBSA-N 1 1 292.467 3.005 20 30 CGEDMO CC#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001192501571 810804978 /nfs/dbraw/zinc/80/49/78/810804978.db2.gz OKNPIBCOOUBNGK-HZPDHXFCSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@H]([N@H+](C)CC2CC(C)C2)C1 ZINC001192578164 810807343 /nfs/dbraw/zinc/80/73/43/810807343.db2.gz MCTBHQNBFRRXBO-GPANFISMSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@@H]([N@H+](C)CC2CC(C)C2)C1 ZINC001192578165 810807423 /nfs/dbraw/zinc/80/74/23/810807423.db2.gz MCTBHQNBFRRXBO-UYSNPLJNSA-N 1 1 292.467 3.168 20 30 CGEDMO CCCCCCC[C@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](C)C1 ZINC001192930967 810831403 /nfs/dbraw/zinc/83/14/03/810831403.db2.gz FPMQEZAIZWAQHT-LSDHHAIUSA-N 1 1 283.460 3.081 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)CCCCCC)C1 ZINC001192977094 810837079 /nfs/dbraw/zinc/83/70/79/810837079.db2.gz HNYJYAXCLHLCSN-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C2(CC)CCCC2)C1 ZINC001193155320 810860793 /nfs/dbraw/zinc/86/07/93/810860793.db2.gz IPVXANGLAHGMDN-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001193479632 810894462 /nfs/dbraw/zinc/89/44/62/810894462.db2.gz YSSHXHPTVDXTKZ-CVEARBPZSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(C)c(C)c2)C1 ZINC001193816341 810961130 /nfs/dbraw/zinc/96/11/30/810961130.db2.gz PNZJCTGTYODEEB-QGZVFWFLSA-N 1 1 286.419 3.026 20 30 CGEDMO CC(C)[N@@H+](C[C@H](O)c1cccc(C#N)c1)CC1CCC1 ZINC001193906933 810976543 /nfs/dbraw/zinc/97/65/43/810976543.db2.gz OFMHHBBLYYVOKH-KRWDZBQOSA-N 1 1 272.392 3.102 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)CCCCC)C1 ZINC001194184144 811030379 /nfs/dbraw/zinc/03/03/79/811030379.db2.gz ZCYCOWYAZGNOAP-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)C2(CC=C)CCCCC2)C1 ZINC001194183943 811030850 /nfs/dbraw/zinc/03/08/50/811030850.db2.gz WTJPPLOWRGRUQG-MRXNPFEDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCN(C(=O)C(C)(C)F)CC1 ZINC001194629817 811098758 /nfs/dbraw/zinc/09/87/58/811098758.db2.gz ROZHEKYVNGTIBD-UHFFFAOYSA-N 1 1 284.419 3.015 20 30 CGEDMO CCCCCCC[N@H+]1CCCN(C(=O)C=C(C)C)CC1 ZINC001194713980 811114822 /nfs/dbraw/zinc/11/48/22/811114822.db2.gz JLNAINGJXALBLW-UHFFFAOYSA-N 1 1 280.456 3.457 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC001195287176 811237763 /nfs/dbraw/zinc/23/77/63/811237763.db2.gz BEXUHWWFHAVFMU-KGLIPLIRSA-N 1 1 267.413 3.395 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](C)[C@H]1C(=O)OC(C)(C)C ZINC001195350324 811245739 /nfs/dbraw/zinc/24/57/39/811245739.db2.gz UKUZRDXEJBKMLC-KBPBESRZSA-N 1 1 267.413 3.395 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](CCOC2CCCCCC2)C1 ZINC001195463158 811256677 /nfs/dbraw/zinc/25/66/77/811256677.db2.gz HYTNOBMMPADZDJ-INIZCTEOSA-N 1 1 263.425 3.461 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)C(C)=C2CCCC2)CC1 ZINC001195459159 811256699 /nfs/dbraw/zinc/25/66/99/811256699.db2.gz GLBSAPGHAGBLDC-UHFFFAOYSA-N 1 1 290.451 3.377 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C(C)=C2CCC2)CC1 ZINC001195746502 811285222 /nfs/dbraw/zinc/28/52/22/811285222.db2.gz DOMNKYVNMPOONS-OAHLLOKOSA-N 1 1 290.451 3.376 20 30 CGEDMO C[N@@H+](C[C@H](O)c1cccc(C#N)c1)CC1CCC2(CC2)CC1 ZINC001195876713 811298192 /nfs/dbraw/zinc/29/81/92/811298192.db2.gz MQGQMJKRNODBGF-SFHVURJKSA-N 1 1 298.430 3.494 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)CC(C)(C)C=C)CC1 ZINC001195990157 811310475 /nfs/dbraw/zinc/31/04/75/811310475.db2.gz LBRLBBYOTREZOW-MRXNPFEDSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)[C@H](C)C(CC)CC)CC1 ZINC001196375387 811338221 /nfs/dbraw/zinc/33/82/21/811338221.db2.gz LJVYYRRVDWVOEX-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C2(F)CCCC2)CC1 ZINC001196376310 811339183 /nfs/dbraw/zinc/33/91/83/811339183.db2.gz SGSXRNVUWXIKRS-HNNXBMFYSA-N 1 1 296.430 3.158 20 30 CGEDMO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC[N@H+](CCCC(C)C)CC1 ZINC001196853135 811375758 /nfs/dbraw/zinc/37/57/58/811375758.db2.gz HLWMDABZIAWRHO-IAGOWNOFSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@]2(C)CCC[C@H]2C)CC1 ZINC001197061670 811394266 /nfs/dbraw/zinc/39/42/66/811394266.db2.gz FHQANGBSGXBQDD-SJLPKXTDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@H+]1CCCN(C(=O)C2(CCC=C)CC2)CC1 ZINC001197062643 811394282 /nfs/dbraw/zinc/39/42/82/811394282.db2.gz VWHJDHBOIALGIT-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCN(C(=O)C2(CF)CC2)CC1 ZINC001197118407 811399960 /nfs/dbraw/zinc/39/99/60/811399960.db2.gz LHZKVAHFDKIOOU-UHFFFAOYSA-N 1 1 296.430 3.017 20 30 CGEDMO C#CCOCC[N@@H+]1CC[C@H](c2ccc(C)cc2)C1(C)C ZINC001197317793 811415278 /nfs/dbraw/zinc/41/52/78/811415278.db2.gz VUULAEQUVNACKC-QGZVFWFLSA-N 1 1 271.404 3.213 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@@H](C)[C@H](C)CC)CC1 ZINC001197596466 811431873 /nfs/dbraw/zinc/43/18/73/811431873.db2.gz IDDJFZLPZQLPNK-CVEARBPZSA-N 1 1 280.456 3.169 20 30 CGEDMO C[C@]12C[N@@H+](CCOc3ccccc3C#N)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001198252869 811487683 /nfs/dbraw/zinc/48/76/83/811487683.db2.gz ZBBGYDCPQGKWEO-LKCYJCQHSA-N 1 1 296.414 3.305 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C[C@@H](C)C2CC2)CC1 ZINC001198274967 811490165 /nfs/dbraw/zinc/49/01/65/811490165.db2.gz WDCACDKPUWWSAA-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C#C[C@H]1CCCC[N@H+]1Cc1cc(-c2ccc(OC)cc2)no1 ZINC001198527152 811512917 /nfs/dbraw/zinc/51/29/17/811512917.db2.gz YEKSDNUYDQAVBP-HNNXBMFYSA-N 1 1 296.370 3.338 20 30 CGEDMO C#C[C@H]1CCCC[N@@H+]1Cc1cc(-c2ccc(OC)cc2)no1 ZINC001198527152 811512922 /nfs/dbraw/zinc/51/29/22/811512922.db2.gz YEKSDNUYDQAVBP-HNNXBMFYSA-N 1 1 296.370 3.338 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@H+](C[C@@H]1CC=CCC1)CC2 ZINC001201409504 811834166 /nfs/dbraw/zinc/83/41/66/811834166.db2.gz VLEUFDBEJJPBJR-CQSZACIVSA-N 1 1 252.361 3.273 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](C[C@@H](C)CC)[C@H]2CC ZINC001201502121 811872480 /nfs/dbraw/zinc/87/24/80/811872480.db2.gz GVRNGLAQVUSRNF-BQFCYCMXSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCN1C(=O)CC[C@@]12CCC[N@H+](C[C@@H](C)CC)CC2 ZINC001201505089 811873475 /nfs/dbraw/zinc/87/34/75/811873475.db2.gz YBTVDSSOFKUHGF-DOTOQJQBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](CCCCC)C2 ZINC001201730483 811950204 /nfs/dbraw/zinc/95/02/04/811950204.db2.gz JIIWSYFSONBQSE-DLBZAZTESA-N 1 1 281.440 3.250 20 30 CGEDMO CCCCCCC[N@@H+]1CCN(C2CCCC2)C(=O)C1 ZINC001201787769 811964564 /nfs/dbraw/zinc/96/45/64/811964564.db2.gz LOAQAGSWGMDBOY-UHFFFAOYSA-N 1 1 266.429 3.044 20 30 CGEDMO CCCCCCC[N@H+]1CCN(C2CCCC2)C(=O)C1 ZINC001201787769 811964569 /nfs/dbraw/zinc/96/45/69/811964569.db2.gz LOAQAGSWGMDBOY-UHFFFAOYSA-N 1 1 266.429 3.044 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](C)C[C@H](C(=O)OC)C1 ZINC001201787752 811964877 /nfs/dbraw/zinc/96/48/77/811964877.db2.gz KRJQEILQXJOYRQ-KBPBESRZSA-N 1 1 255.402 3.088 20 30 CGEDMO CCCCCCCCN1CC([NH+]2CCC(F)CC2)C1 ZINC001201825677 811967547 /nfs/dbraw/zinc/96/75/47/811967547.db2.gz CBHMIERDJSSHOD-UHFFFAOYSA-N 1 1 270.436 3.465 20 30 CGEDMO CCCCCCCCC[N@H+]1CCC(O)=C(C(=O)OCC)C1 ZINC001201838924 811969450 /nfs/dbraw/zinc/96/94/50/811969450.db2.gz GKXUSIMDBCNMBJ-OAHLLOKOSA-N 1 1 297.439 3.191 20 30 CGEDMO CCCCCCCCC[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC001201845899 811970936 /nfs/dbraw/zinc/97/09/36/811970936.db2.gz ABMVDPZRFXCHKP-INIZCTEOSA-N 1 1 282.428 3.311 20 30 CGEDMO C#C[C@H]([NH2+]Cc1cc(Cl)ccc1OCC)[C@@H]1CCCO1 ZINC001202074486 812012220 /nfs/dbraw/zinc/01/22/20/812012220.db2.gz OJGSLHZTYKKXKC-HOCLYGCPSA-N 1 1 293.794 3.009 20 30 CGEDMO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](CC1CCCC1)CCO2 ZINC001202166852 812027089 /nfs/dbraw/zinc/02/70/89/812027089.db2.gz GIBRMYKYQOSMGR-QZTJIDSGSA-N 1 1 293.451 3.250 20 30 CGEDMO N#Cc1ccc(O[C@H]2CCC[N@H+](CCC(F)(F)F)C2)cc1 ZINC001202356042 812072440 /nfs/dbraw/zinc/07/24/40/812072440.db2.gz JIWZDAZTNOAJRP-AWEZNQCLSA-N 1 1 298.308 3.354 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)CC1(CC)COC1 ZINC001202957277 812208563 /nfs/dbraw/zinc/20/85/63/812208563.db2.gz BPNJJPTVGYMAFN-UHFFFAOYSA-N 1 1 259.393 3.491 20 30 CGEDMO N#Cc1cc(C[NH2+][C@@H](CO)c2ccc(Cl)cc2)cs1 ZINC001203288875 812294396 /nfs/dbraw/zinc/29/43/96/812294396.db2.gz FNLKWRQZPVHAGR-AWEZNQCLSA-N 1 1 292.791 3.096 20 30 CGEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001203309190 812306863 /nfs/dbraw/zinc/30/68/63/812306863.db2.gz NFVGNIOEYGXDNO-ROUUACIJSA-N 1 1 287.403 3.013 20 30 CGEDMO C#CC1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC001203410009 812346340 /nfs/dbraw/zinc/34/63/40/812346340.db2.gz AKZMBGJDHKUFJD-UHFFFAOYSA-N 1 1 251.732 3.324 20 30 CGEDMO C=CC[N@H+](Cc1cccc(OC)c1OC)C(C)(C)C ZINC001203452033 812363071 /nfs/dbraw/zinc/36/30/71/812363071.db2.gz JNRQCCQMJNPTER-UHFFFAOYSA-N 1 1 263.381 3.490 20 30 CGEDMO C[N@H+]1CCN(Cc2cccc(C#N)c2)C[C@H]1c1ccccc1 ZINC001203760959 812456290 /nfs/dbraw/zinc/45/62/90/812456290.db2.gz VJQVHTPZSSPTTI-IBGZPJMESA-N 1 1 291.398 3.047 20 30 CGEDMO CN1CC[N@H+](Cc2cccc(C#N)c2)C[C@H]1c1ccccc1 ZINC001203760959 812456292 /nfs/dbraw/zinc/45/62/92/812456292.db2.gz VJQVHTPZSSPTTI-IBGZPJMESA-N 1 1 291.398 3.047 20 30 CGEDMO CN1CC[N@@H+](Cc2cccc(C#N)c2)C[C@H]1c1ccccc1 ZINC001203760959 812456300 /nfs/dbraw/zinc/45/63/00/812456300.db2.gz VJQVHTPZSSPTTI-IBGZPJMESA-N 1 1 291.398 3.047 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@@H]2COCc2ccccc2)c1 ZINC001203763056 812457600 /nfs/dbraw/zinc/45/76/00/812457600.db2.gz ZFTNRAKFHIHIKN-LJQANCHMSA-N 1 1 292.382 3.349 20 30 CGEDMO C[C@H]1CN(Cc2cccc(C#N)c2)CC[N@H+]1C1CCCCC1 ZINC001203765021 812457950 /nfs/dbraw/zinc/45/79/50/812457950.db2.gz SSFIPACKNGTYMH-INIZCTEOSA-N 1 1 297.446 3.397 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1ccc(OC)c(OC)c1 ZINC001203838494 812473713 /nfs/dbraw/zinc/47/37/13/812473713.db2.gz VQDLEVTUHQXBIH-UHFFFAOYSA-N 1 1 276.380 3.220 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1ccc(OC)c(OC)c1 ZINC001203838494 812473714 /nfs/dbraw/zinc/47/37/14/812473714.db2.gz VQDLEVTUHQXBIH-UHFFFAOYSA-N 1 1 276.380 3.220 20 30 CGEDMO C[N@@H+](CCC(=O)c1cccs1)Cc1ccc(C#N)cc1 ZINC001203904700 812488459 /nfs/dbraw/zinc/48/84/59/812488459.db2.gz AMLGKRWQKXQRRQ-UHFFFAOYSA-N 1 1 284.384 3.325 20 30 CGEDMO C=CCOc1ccc(C[N@H+](CC)CCN2CCCC2)cc1 ZINC001204299891 812604891 /nfs/dbraw/zinc/60/48/91/812604891.db2.gz CYDNSEYXDZUYHO-UHFFFAOYSA-N 1 1 288.435 3.169 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](CC)CCN2CCCC2)cc1 ZINC001204299891 812604894 /nfs/dbraw/zinc/60/48/94/812604894.db2.gz CYDNSEYXDZUYHO-UHFFFAOYSA-N 1 1 288.435 3.169 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@]3(C2)CCCCO3)cc1 ZINC001204297679 812605431 /nfs/dbraw/zinc/60/54/31/812605431.db2.gz NGHHRCQPTALXQO-SFHVURJKSA-N 1 1 287.403 3.396 20 30 CGEDMO C#CC1CC[NH+](Cc2ccc(Br)cc2F)CC1 ZINC001204554988 812674890 /nfs/dbraw/zinc/67/48/90/812674890.db2.gz AVSKVYGRKHWEDO-UHFFFAOYSA-N 1 1 296.183 3.433 20 30 CGEDMO Cn1cc(C[N@H+](CCC#N)C2CCCCCCC2)cn1 ZINC001205002534 812819349 /nfs/dbraw/zinc/81/93/49/812819349.db2.gz RVJFVUJREFCEQU-UHFFFAOYSA-N 1 1 274.412 3.249 20 30 CGEDMO Cn1cc(C[N@@H+](CCC#N)C2CCCCCCC2)cn1 ZINC001205002534 812819353 /nfs/dbraw/zinc/81/93/53/812819353.db2.gz RVJFVUJREFCEQU-UHFFFAOYSA-N 1 1 274.412 3.249 20 30 CGEDMO C[C@@H]1CCN(Cc2ccc(Cl)cc2C#N)CC[C@@H]1C[NH3+] ZINC001205638984 813039080 /nfs/dbraw/zinc/03/90/80/813039080.db2.gz UGSGTQXHZPBTIO-CHWSQXEVSA-N 1 1 291.826 3.018 20 30 CGEDMO C=CCC[C@H]([NH2+][C@H]1CCC[C@@H](C)CC1)C(=O)OCC ZINC001205848818 813107334 /nfs/dbraw/zinc/10/73/34/813107334.db2.gz HPUODBCXTKBCMD-ILXRZTDVSA-N 1 1 267.413 3.443 20 30 CGEDMO C#CC[N@H+](Cc1cc2ccccc2c(OC)c1)C1CC1 ZINC001205882506 813119080 /nfs/dbraw/zinc/11/90/80/813119080.db2.gz LFKBUZPMRQFAMJ-UHFFFAOYSA-N 1 1 265.356 3.446 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CC[C@@](N)(C(F)(F)F)C1 ZINC001206222529 813247526 /nfs/dbraw/zinc/24/75/26/813247526.db2.gz PCAKRPBZYUEPNK-ZDUSSCGKSA-N 1 1 278.362 3.479 20 30 CGEDMO Cc1ccc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)c(O)c1 ZINC001206254909 813257464 /nfs/dbraw/zinc/25/74/64/813257464.db2.gz JWERIYQKPWOYHH-UHFFFAOYSA-N 1 1 299.399 3.365 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](CC2(c3ccc4c(c3)OCO4)CC2)C1 ZINC001206411755 813317067 /nfs/dbraw/zinc/31/70/67/813317067.db2.gz ZPPIKOCQAPCOFM-OAHLLOKOSA-N 1 1 297.398 3.182 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1Nc1c(F)cccc1C#N ZINC001206736139 813412611 /nfs/dbraw/zinc/41/26/11/813412611.db2.gz DOIQNFDBRRHNFX-UHFFFAOYSA-N 1 1 270.311 3.210 20 30 CGEDMO Cc1ccc(C#N)cc1Nc1c[nH+]c(N(C)C)cc1C ZINC001206742900 813416162 /nfs/dbraw/zinc/41/61/62/813416162.db2.gz JJSVVIIHSOCIDS-UHFFFAOYSA-N 1 1 266.348 3.380 20 30 CGEDMO Cn1cc(C[N@@H+](C)CCc2ccccc2Cl)cc1C#N ZINC001207106336 813487953 /nfs/dbraw/zinc/48/79/53/813487953.db2.gz JTDKGEWWSSQUEF-UHFFFAOYSA-N 1 1 287.794 3.225 20 30 CGEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[C@H](C)CCC)C1 ZINC001207120490 813489409 /nfs/dbraw/zinc/48/94/09/813489409.db2.gz QUSZXBOKVBWWLY-BRWVUGGUSA-N 1 1 292.467 3.053 20 30 CGEDMO C[C@]1(C#N)CCN(CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207293916 813537860 /nfs/dbraw/zinc/53/78/60/813537860.db2.gz NCPIYEXVUKCBKU-LJQANCHMSA-N 1 1 297.446 3.134 20 30 CGEDMO COc1ccc(CCC[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1 ZINC001207582393 813598870 /nfs/dbraw/zinc/59/88/70/813598870.db2.gz CSMZKYLIHQUPDL-OSYLJGHBSA-N 1 1 284.403 3.394 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](CC[C@@H](C)CCCC(C)(C)O)C1 ZINC001207679022 813634844 /nfs/dbraw/zinc/63/48/44/813634844.db2.gz UNJNRRLMAGQQLO-JKSUJKDBSA-N 1 1 265.441 3.299 20 30 CGEDMO C=CCC[N@@H+](CCCn1cccn1)Cc1ccccc1 ZINC001208081400 813689854 /nfs/dbraw/zinc/68/98/54/813689854.db2.gz YMPYYDDJDMLXPH-UHFFFAOYSA-N 1 1 269.392 3.352 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](CC2(c3ccccc3)CCOCC2)C1 ZINC001208227239 813749886 /nfs/dbraw/zinc/74/98/86/813749886.db2.gz KRRYSFOCKHXDJE-KRWDZBQOSA-N 1 1 298.430 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C(C)(C)C)C1 ZINC001208320882 813753498 /nfs/dbraw/zinc/75/34/98/813753498.db2.gz BXGZLALQGRDFNT-ZIAGYGMSSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1C ZINC001208311968 813754072 /nfs/dbraw/zinc/75/40/72/813754072.db2.gz BINROPLRJGATCY-HUUCEWRRSA-N 1 1 294.483 3.461 20 30 CGEDMO CC#CCCCC(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C ZINC001208374291 813758272 /nfs/dbraw/zinc/75/82/72/813758272.db2.gz GVZBICBTJKUENS-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)C[C@@H]1CCCN(C)C1 ZINC001208609886 813773323 /nfs/dbraw/zinc/77/33/23/813773323.db2.gz XHIDUXPAZUQRFV-GOSISDBHSA-N 1 1 272.436 3.407 20 30 CGEDMO C[N@@H+]1CC=C(Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC001208843724 813865384 /nfs/dbraw/zinc/86/53/84/813865384.db2.gz GOJNNYXNWOGLGQ-UHFFFAOYSA-N 1 1 255.365 3.119 20 30 CGEDMO C=CC[N@H+](C[C@H]1CCCN(C(C)=O)C1)C1CCCCC1 ZINC001208973104 813909667 /nfs/dbraw/zinc/90/96/67/813909667.db2.gz HBIHXOKBSKFXBR-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C[N@@H+]1CC=C(Nc2ccc(OC(F)(F)F)cc2C#N)CC1 ZINC001208980965 813912359 /nfs/dbraw/zinc/91/23/59/813912359.db2.gz ZFAYOTSJNOLDAN-UHFFFAOYSA-N 1 1 297.280 3.088 20 30 CGEDMO CCOC(=O)CC[N@@H+](CCC#N)C1CCCCCCC1 ZINC001209035538 813918622 /nfs/dbraw/zinc/91/86/22/813918622.db2.gz VMUJTSMPKVHDIZ-UHFFFAOYSA-N 1 1 280.412 3.268 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)CC2CCCC2)C1 ZINC001209115591 813937893 /nfs/dbraw/zinc/93/78/93/813937893.db2.gz GRZLWQGLPKYABK-BFYDXBDKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)CC2CCCC2)C1 ZINC001209124953 813941328 /nfs/dbraw/zinc/94/13/28/813941328.db2.gz HIBZNUYWYZPIKG-BFYDXBDKSA-N 1 1 292.467 3.215 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](CCc2cc(F)cc(F)c2)C1 ZINC001209141410 813946257 /nfs/dbraw/zinc/94/62/57/813946257.db2.gz XFZUYXQLYKPWDY-GFCCVEGCSA-N 1 1 264.319 3.133 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001209162992 813953665 /nfs/dbraw/zinc/95/36/65/813953665.db2.gz SCOZCVPPUDPZSV-KBPBESRZSA-N 1 1 282.428 3.188 20 30 CGEDMO C=CCCCC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@@H]21 ZINC001209200014 813962686 /nfs/dbraw/zinc/96/26/86/813962686.db2.gz FFTMZRHUBGATOG-UONOGXRCSA-N 1 1 280.412 3.036 20 30 CGEDMO C=CCCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@@H]21 ZINC001209200014 813962690 /nfs/dbraw/zinc/96/26/90/813962690.db2.gz FFTMZRHUBGATOG-UONOGXRCSA-N 1 1 280.412 3.036 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@H]2O[C@@H](c3nc(C)no3)CC[C@H]21 ZINC001209199738 813963875 /nfs/dbraw/zinc/96/38/75/813963875.db2.gz ABGJTNMJJUCQEQ-RBSFLKMASA-N 1 1 291.395 3.029 20 30 CGEDMO C=CCCCC[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001209204342 813966509 /nfs/dbraw/zinc/96/65/09/813966509.db2.gz CJCJAICDJPONEF-CQSZACIVSA-N 1 1 282.428 3.284 20 30 CGEDMO C=CCCCC[N@H+]1CCc2ncnc(-c3ccoc3)c2CC1 ZINC001209202564 813967096 /nfs/dbraw/zinc/96/70/96/813967096.db2.gz FHAACBBVNJZPOP-UHFFFAOYSA-N 1 1 297.402 3.494 20 30 CGEDMO C=CCCCC[N@H+]1CCO[C@H]2[C@H](OCC3CC3)CC[C@@H]21 ZINC001209202321 813967284 /nfs/dbraw/zinc/96/72/84/813967284.db2.gz AXENHOBRFZGZKB-GVDBMIGSSA-N 1 1 279.424 3.001 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@@H](Oc2ccncc2)C1 ZINC001209207878 813968871 /nfs/dbraw/zinc/96/88/71/813968871.db2.gz GGISAPSZAREKIN-MRXNPFEDSA-N 1 1 260.381 3.281 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@H](Oc2ccc(C)cc2)C1 ZINC001209266411 813987677 /nfs/dbraw/zinc/98/76/77/813987677.db2.gz YRPLURVQRDPANE-KRWDZBQOSA-N 1 1 257.377 3.252 20 30 CGEDMO C#CCCC[N@H+]1CCC[C@H](OCc2ccccc2)C1 ZINC001209266272 813987918 /nfs/dbraw/zinc/98/79/18/813987918.db2.gz IRUJKQHEWOFLJI-KRWDZBQOSA-N 1 1 257.377 3.081 20 30 CGEDMO C#CCCC[N@@H+]1CCn2nc(-c3ccc(Cl)cc3)cc2C1 ZINC001209267828 813989163 /nfs/dbraw/zinc/98/91/63/813989163.db2.gz MASZLALSXJLXES-UHFFFAOYSA-N 1 1 299.805 3.433 20 30 CGEDMO C#CCCC[N@H+]1Cc2ccccc2C[C@H]1C(=O)OC(C)(C)C ZINC001209267806 813989280 /nfs/dbraw/zinc/98/92/80/813989280.db2.gz KSDDVXGGCQNTIM-KRWDZBQOSA-N 1 1 299.414 3.168 20 30 CGEDMO C#CCCC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)OC(C)(C)C ZINC001209267806 813989287 /nfs/dbraw/zinc/98/92/87/813989287.db2.gz KSDDVXGGCQNTIM-KRWDZBQOSA-N 1 1 299.414 3.168 20 30 CGEDMO COc1cc(C#N)ccc1Nc1ccc2[nH+]c(C)cn2c1 ZINC001209325872 814000607 /nfs/dbraw/zinc/00/06/07/814000607.db2.gz KJBOYMGLMQEIEO-UHFFFAOYSA-N 1 1 278.315 3.267 20 30 CGEDMO CCOC(=O)CCCCCC[N@H+]1CCC[C@H](C#N)CC1 ZINC001209352449 814002857 /nfs/dbraw/zinc/00/28/57/814002857.db2.gz QWMAEBSUXVRUNH-HNNXBMFYSA-N 1 1 280.412 3.126 20 30 CGEDMO C=CCCCCCC[N@@H+](CC(=O)OCC)C1CC1 ZINC001209441730 814040636 /nfs/dbraw/zinc/04/06/36/814040636.db2.gz ZNVMNZHUSXGLJZ-UHFFFAOYSA-N 1 1 253.386 3.150 20 30 CGEDMO C=CCCCCCC[N@H+](CC(=O)OCC)C1CC1 ZINC001209441730 814040643 /nfs/dbraw/zinc/04/06/43/814040643.db2.gz ZNVMNZHUSXGLJZ-UHFFFAOYSA-N 1 1 253.386 3.150 20 30 CGEDMO C=CCCCCCN1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001209422921 814025926 /nfs/dbraw/zinc/02/59/26/814025926.db2.gz KSNMVXCUCUUDHS-UHFFFAOYSA-N 1 1 262.441 3.151 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCC[C@H](C(=O)OCC)C1 ZINC001209429304 814029549 /nfs/dbraw/zinc/02/95/49/814029549.db2.gz XZBSAIPZBKEILC-HNNXBMFYSA-N 1 1 267.413 3.398 20 30 CGEDMO C=CCCCCC[N@@H+]1CCO[C@H](c2ccncc2)C1 ZINC001209429244 814030219 /nfs/dbraw/zinc/03/02/19/814030219.db2.gz XEJVSPXOGGPITM-INIZCTEOSA-N 1 1 260.381 3.201 20 30 CGEDMO C=CCCCCC[N@H+]1CCO[C@H](c2ccncc2)C1 ZINC001209429244 814030227 /nfs/dbraw/zinc/03/02/27/814030227.db2.gz XEJVSPXOGGPITM-INIZCTEOSA-N 1 1 260.381 3.201 20 30 CGEDMO C=CCCCCC[N@@H+]1CCc2cnc(SC)nc2C1 ZINC001209432892 814033125 /nfs/dbraw/zinc/03/31/25/814033125.db2.gz MAJYZKUMIVLVOZ-UHFFFAOYSA-N 1 1 277.437 3.303 20 30 CGEDMO C=CCCCCCC[N@@H+]1C[C@@H](OCC)[C@H]2OCCC[C@H]21 ZINC001209435230 814034640 /nfs/dbraw/zinc/03/46/40/814034640.db2.gz GVPPFBLPWIKUBH-ZACQAIPSSA-N 1 1 281.440 3.391 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC001209433398 814035158 /nfs/dbraw/zinc/03/51/58/814035158.db2.gz VRCSVQHICYQGCJ-GJZGRUSLSA-N 1 1 294.439 3.284 20 30 CGEDMO C=CCCCCCC[N@@H+]1CCCC[C@@]12CC(=O)N(C)C2 ZINC001209435467 814036620 /nfs/dbraw/zinc/03/66/20/814036620.db2.gz KBQCBYDEEWSLAV-KRWDZBQOSA-N 1 1 278.440 3.210 20 30 CGEDMO C=CCCCCCC[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC001209436789 814037338 /nfs/dbraw/zinc/03/73/38/814037338.db2.gz XLBGVSBXJZJVAE-QGZVFWFLSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCCCCCC[NH+]1CCN(CC(C)C)CC1 ZINC001209436133 814037491 /nfs/dbraw/zinc/03/74/91/814037491.db2.gz QWFJHHLTTVZDGB-UHFFFAOYSA-N 1 1 252.446 3.397 20 30 CGEDMO C=CCCCCCC[N@H+]1CC[C@H](N2CCCC2)C1 ZINC001209435534 814037744 /nfs/dbraw/zinc/03/77/44/814037744.db2.gz DUDKAIOYLZSKHI-INIZCTEOSA-N 1 1 250.430 3.293 20 30 CGEDMO C=CCCCCCCN1CC[C@H]([NH+]2CCCC2)C1 ZINC001209435534 814037748 /nfs/dbraw/zinc/03/77/48/814037748.db2.gz DUDKAIOYLZSKHI-INIZCTEOSA-N 1 1 250.430 3.293 20 30 CGEDMO C=CCCCCCC[N@@H+]1CC[C@@H](Oc2ncc(C)cn2)C1 ZINC001209438809 814038864 /nfs/dbraw/zinc/03/88/64/814038864.db2.gz VVWYSDBCHXMISL-MRXNPFEDSA-N 1 1 289.423 3.375 20 30 CGEDMO C=CCCCCCC[N@H+](C)[C@@H]1CCC2(C1)OCCO2 ZINC001209441203 814040620 /nfs/dbraw/zinc/04/06/20/814040620.db2.gz VCYIJDBXDWICRR-OAHLLOKOSA-N 1 1 267.413 3.350 20 30 CGEDMO C=CCCCCCCCC[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001209442421 814043091 /nfs/dbraw/zinc/04/30/91/814043091.db2.gz IFALZKBLUOWCGO-IYBDPMFKSA-N 1 1 251.414 3.481 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C)C1 ZINC001209443331 814043260 /nfs/dbraw/zinc/04/32/60/814043260.db2.gz QTCKZKIDOMSUPA-DLBZAZTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCCCCCCC[N@@H+](C)CCN1CCN(C)CC1 ZINC001209446043 814044697 /nfs/dbraw/zinc/04/46/97/814044697.db2.gz PLUQIAAKOHNECA-UHFFFAOYSA-N 1 1 295.515 3.082 20 30 CGEDMO C=CCCCCCCCC[N@H+](C)CCN1CCN(C)CC1 ZINC001209446043 814044706 /nfs/dbraw/zinc/04/47/06/814044706.db2.gz PLUQIAAKOHNECA-UHFFFAOYSA-N 1 1 295.515 3.082 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CCN(C(C)=O)C[C@@H]1C ZINC001209446211 814045361 /nfs/dbraw/zinc/04/53/61/814045361.db2.gz STDQIMMLWUOSPO-INIZCTEOSA-N 1 1 280.456 3.456 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2c[nH]c3ncc(Cl)cc23)CC1 ZINC001209601171 814096500 /nfs/dbraw/zinc/09/65/00/814096500.db2.gz VVRFQNWOHRAXBH-NSHDSACASA-N 1 1 288.782 3.342 20 30 CGEDMO COc1c(F)c(C[NH+]2CCC(S)CC2)ccc1Cl ZINC001209701324 814116335 /nfs/dbraw/zinc/11/63/35/814116335.db2.gz WFDSDOZDGRHLQY-UHFFFAOYSA-N 1 1 289.803 3.382 20 30 CGEDMO N#Cc1cc(F)c(Nc2ccc3[nH]c[nH+]c3c2)cc1F ZINC001209846513 814164161 /nfs/dbraw/zinc/16/41/61/814164161.db2.gz DCEAAQUIQMFLAY-UHFFFAOYSA-N 1 1 270.242 3.456 20 30 CGEDMO CNc1ccc(C#N)cc1Nc1ccc2[nH]c[nH+]c2c1 ZINC001209848618 814168773 /nfs/dbraw/zinc/16/87/73/814168773.db2.gz NIJNIQUGEBLXMI-UHFFFAOYSA-N 1 1 263.304 3.220 20 30 CGEDMO CCCCCCCCCC[N@@H+]1CCNC[C@H]1COC ZINC001210519615 814505391 /nfs/dbraw/zinc/50/53/91/814505391.db2.gz QMOJWQJOUZHKNY-INIZCTEOSA-N 1 1 270.461 3.047 20 30 CGEDMO CCCCCCCCCC[N@H+]1CCNC[C@H]1COC ZINC001210519615 814505396 /nfs/dbraw/zinc/50/53/96/814505396.db2.gz QMOJWQJOUZHKNY-INIZCTEOSA-N 1 1 270.461 3.047 20 30 CGEDMO Cc1cc(Nc2cc[nH+]cc2C(F)(F)F)ccc1C#N ZINC001210802819 814635140 /nfs/dbraw/zinc/63/51/40/814635140.db2.gz JSRDQQUCJSYINF-UHFFFAOYSA-N 1 1 277.249 3.446 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CCC)CC(C)C)C1 ZINC001211399437 814888758 /nfs/dbraw/zinc/88/87/58/814888758.db2.gz PECYADHRISGIDJ-BZUAXINKSA-N 1 1 280.456 3.071 20 30 CGEDMO Cc1c(C#N)cccc1Nc1cc[nH+]cc1C(F)(F)F ZINC001216173525 815719816 /nfs/dbraw/zinc/71/98/16/815719816.db2.gz JPDGLOHQQZEJCT-UHFFFAOYSA-N 1 1 277.249 3.446 20 30 CGEDMO CCCCCCC[C@@H](C)Oc1ncnc2c1C[NH2+]C2 ZINC001218223599 816131813 /nfs/dbraw/zinc/13/18/13/816131813.db2.gz JVUGCQUWUZRALX-GFCCVEGCSA-N 1 1 263.385 3.208 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)CCC)[C@@H]2C1 ZINC001221227872 816307523 /nfs/dbraw/zinc/30/75/23/816307523.db2.gz YTTCAAKKXJIQTP-HZPDHXFCSA-N 1 1 280.456 3.290 20 30 CGEDMO C=CCCC(=O)N1C[C@H]2CC[N@H+](CC/C=C\CCC)C[C@H]21 ZINC001221429090 816313323 /nfs/dbraw/zinc/31/33/23/816313323.db2.gz HGBGTWZZJDSNII-PMKBXARWSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)/C(C)=C\C)[C@@H]2C1 ZINC001221472273 816316293 /nfs/dbraw/zinc/31/62/93/816316293.db2.gz NXTAAFANPQYFTF-PACMQTEUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CCC(=O)N1C[C@H]2CC[N@H+](CC/C=C\CC)C[C@H]21 ZINC001221585156 816321056 /nfs/dbraw/zinc/32/10/56/816321056.db2.gz VPFUSNMBMDESQF-MBZYTVFJSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](CCCC(C)C)C[C@H]21 ZINC001221731982 816324244 /nfs/dbraw/zinc/32/42/44/816324244.db2.gz XDNGXUIRTIHLPH-HZPDHXFCSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H](C)C(C)C)C[C@@H]21 ZINC001222406689 816436055 /nfs/dbraw/zinc/43/60/55/816436055.db2.gz BABVZMMETIDDJA-BBWFWOEESA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCCC[N@@H+]1C[C@H](c2ccccc2)C2(CNC2)C1 ZINC001222595536 816474335 /nfs/dbraw/zinc/47/43/35/816474335.db2.gz CDQRFTLFHWROJG-QGZVFWFLSA-N 1 1 270.420 3.032 20 30 CGEDMO C=CCCCC[N@H+]1C[C@H](c2ccccc2)C2(CNC2)C1 ZINC001222595536 816474340 /nfs/dbraw/zinc/47/43/40/816474340.db2.gz CDQRFTLFHWROJG-QGZVFWFLSA-N 1 1 270.420 3.032 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)CCCC)C[C@@H]21 ZINC001222631746 816484982 /nfs/dbraw/zinc/48/49/82/816484982.db2.gz DUBOHTRESIUPOP-BBWFWOEESA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]2CC[N@H+](CC(=C)Cl)[C@H]2C1 ZINC001222780825 816516903 /nfs/dbraw/zinc/51/69/03/816516903.db2.gz FMHKVYDLKCYFCB-CABCVRRESA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]2CC[N@@H+](CC(=C)Cl)[C@H]2C1 ZINC001222780825 816516908 /nfs/dbraw/zinc/51/69/08/816516908.db2.gz FMHKVYDLKCYFCB-CABCVRRESA-N 1 1 296.842 3.018 20 30 CGEDMO C=C/C(C)=C/CC(=O)N1CC[C@H]2CC[N@H+](CC(=C)C)[C@H]2C1 ZINC001223291685 816599680 /nfs/dbraw/zinc/59/96/80/816599680.db2.gz IVZZXOWWWSLIPV-WZQKHZFYSA-N 1 1 288.435 3.008 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H](C)CC(C)C)C[C@@H]21 ZINC001223900354 816700953 /nfs/dbraw/zinc/70/09/53/816700953.db2.gz DMRBMMHLAFMEDU-BBWFWOEESA-N 1 1 292.467 3.168 20 30 CGEDMO Cc1ccc(N2CCC[C@@H](Oc3cccc(C#N)c3)C2)[nH+]c1 ZINC001225225041 816968838 /nfs/dbraw/zinc/96/88/38/816968838.db2.gz KXOZEAUAKIZRDU-QGZVFWFLSA-N 1 1 293.370 3.310 20 30 CGEDMO CC[N@H+]1CCC[C@H](Oc2ccc(C#N)c(C)c2C)C1 ZINC001225513216 817080174 /nfs/dbraw/zinc/08/01/74/817080174.db2.gz LZIASPLQHIEYCC-HNNXBMFYSA-N 1 1 258.365 3.038 20 30 CGEDMO Cc1ccc2ccccc2c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001226814565 817473641 /nfs/dbraw/zinc/47/36/41/817473641.db2.gz FPACQPVPQRKYJR-ACLLJPCYSA-N 1 1 295.382 3.139 20 30 CGEDMO Cc1ccc2ccccc2c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001226814565 817473643 /nfs/dbraw/zinc/47/36/43/817473643.db2.gz FPACQPVPQRKYJR-ACLLJPCYSA-N 1 1 295.382 3.139 20 30 CGEDMO C=CCc1ccc(O[C@@H]2CCc3[nH+]ccn3C2)c(OC)c1 ZINC001227927011 817757195 /nfs/dbraw/zinc/75/71/95/817757195.db2.gz OKSPVKOELFKWPB-CQSZACIVSA-N 1 1 284.359 3.014 20 30 CGEDMO C=CCCCCCCNC(=O)N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001228040692 817793082 /nfs/dbraw/zinc/79/30/82/817793082.db2.gz MAKNVCMDOUDUDN-JKSUJKDBSA-N 1 1 295.471 3.247 20 30 CGEDMO Cc1cc(O[C@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)c(C)cc1C#N ZINC001228148671 817823907 /nfs/dbraw/zinc/82/39/07/817823907.db2.gz ZYHHYCRNYFKNSV-HWWDLCQESA-N 1 1 284.403 3.284 20 30 CGEDMO Cc1cc(O[C@@H]2CC[N@H+](C(C)C)C2)c(C)cc1C#N ZINC001228147210 817824054 /nfs/dbraw/zinc/82/40/54/817824054.db2.gz KCSJOJSGVHACPX-OAHLLOKOSA-N 1 1 258.365 3.037 20 30 CGEDMO CC(=O)/C=C\c1ccc(OC2CC[NH+](CCF)CC2)cc1 ZINC001228496943 817922607 /nfs/dbraw/zinc/92/26/07/817922607.db2.gz QKYGCLNANNTFGF-IHWYPQMZSA-N 1 1 291.366 3.102 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)c1 ZINC001231621961 818137743 /nfs/dbraw/zinc/13/77/43/818137743.db2.gz MYEDKAXPVHDNJS-AEFFLSMTSA-N 1 1 287.403 3.252 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CC[C@H](F)C(F)(F)CC2)c1 ZINC001231656761 818149752 /nfs/dbraw/zinc/14/97/52/818149752.db2.gz QVUXMRZEKWVMAY-AWEZNQCLSA-N 1 1 267.294 3.237 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CCc3c(cccc3OC)C2)c1 ZINC001231660304 818151625 /nfs/dbraw/zinc/15/16/25/818151625.db2.gz CBGLSRZOZNOBAV-UHFFFAOYSA-N 1 1 277.367 3.235 20 30 CGEDMO C#CC1CC[NH+](Cc2c(Cl)cc(OC)cc2OC)CC1 ZINC001231695960 818158320 /nfs/dbraw/zinc/15/83/20/818158320.db2.gz ACKSSAYWCLTZND-UHFFFAOYSA-N 1 1 293.794 3.202 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@H+]2CC[C@](C)(CF)C2)cc1 ZINC001231817281 818184453 /nfs/dbraw/zinc/18/44/53/818184453.db2.gz YJFDVGWMQHQLKW-QGZVFWFLSA-N 1 1 289.398 3.218 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)cc1Cl ZINC001232111439 818258125 /nfs/dbraw/zinc/25/81/25/818258125.db2.gz GXBRFQNYOPGWTA-GOEBONIOSA-N 1 1 290.794 3.213 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)c(Cl)c2)[C@@](C)(CO)C1 ZINC001232111398 818259042 /nfs/dbraw/zinc/25/90/42/818259042.db2.gz GNBIVJAXJQPWCP-MRXNPFEDSA-N 1 1 292.810 3.195 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)cc1Cl ZINC001232117565 818259791 /nfs/dbraw/zinc/25/97/91/818259791.db2.gz CNPOMWKJYJUAKJ-SGMGOOAPSA-N 1 1 264.731 3.144 20 30 CGEDMO COc1cc(C)c(C[N@H+](CCC#N)C2CCCC2)cn1 ZINC001232353073 818328587 /nfs/dbraw/zinc/32/85/87/818328587.db2.gz ADRFLIPDGXUBET-UHFFFAOYSA-N 1 1 273.380 3.057 20 30 CGEDMO COc1cc(C)c(C[N@@H+](CCC#N)C2CCCC2)cn1 ZINC001232353073 818328591 /nfs/dbraw/zinc/32/85/91/818328591.db2.gz ADRFLIPDGXUBET-UHFFFAOYSA-N 1 1 273.380 3.057 20 30 CGEDMO CC(C)[N@@H+](Cc1ccccc1)Cc1cc(C#N)ccn1 ZINC001232474418 818362801 /nfs/dbraw/zinc/36/28/01/818362801.db2.gz CLFDBKYRTINZFG-UHFFFAOYSA-N 1 1 265.360 3.364 20 30 CGEDMO C[C@H]1c2ccccc2CC[N@H+]1Cc1cc(C#N)ccn1 ZINC001232476003 818364606 /nfs/dbraw/zinc/36/46/06/818364606.db2.gz VKUCRMDUSGVWLZ-ZDUSSCGKSA-N 1 1 263.344 3.073 20 30 CGEDMO C[C@H]1c2ccccc2CC[N@@H+]1Cc1cc(C#N)ccn1 ZINC001232476003 818364611 /nfs/dbraw/zinc/36/46/11/818364611.db2.gz VKUCRMDUSGVWLZ-ZDUSSCGKSA-N 1 1 263.344 3.073 20 30 CGEDMO N#Cc1ccnc(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)c1 ZINC001232479790 818364633 /nfs/dbraw/zinc/36/46/33/818364633.db2.gz YINIWJSSJJXFBS-GOEBONIOSA-N 1 1 255.365 3.108 20 30 CGEDMO N#Cc1ccnc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)c1 ZINC001232479665 818364800 /nfs/dbraw/zinc/36/48/00/818364800.db2.gz VAYDRGLACAUDOU-OAHLLOKOSA-N 1 1 281.334 3.082 20 30 CGEDMO CC[N@@H+](CCc1ccc(OC)cc1)Cc1cc(C#N)ccn1 ZINC001232481960 818367104 /nfs/dbraw/zinc/36/71/04/818367104.db2.gz NBBGPTILYUKUMZ-UHFFFAOYSA-N 1 1 295.386 3.026 20 30 CGEDMO C=CC[N@H+](Cc1c(OC)cncc1OC)C1CCCCC1 ZINC001232507056 818374006 /nfs/dbraw/zinc/37/40/06/818374006.db2.gz OJKOJWFEAMMTOK-UHFFFAOYSA-N 1 1 290.407 3.420 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1C[C@@H]2CCCC(=O)[C@H]2C1 ZINC001232608872 818393927 /nfs/dbraw/zinc/39/39/27/818393927.db2.gz XYGPGOAEIDRURJ-WFASDCNBSA-N 1 1 288.778 3.013 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1C[C@@H]2CCCC(=O)[C@H]2C1 ZINC001232608872 818393933 /nfs/dbraw/zinc/39/39/33/818393933.db2.gz XYGPGOAEIDRURJ-WFASDCNBSA-N 1 1 288.778 3.013 20 30 CGEDMO CCC[N@@H+](CCOC)Cc1ccc(Cl)cc1C#N ZINC001232604573 818394149 /nfs/dbraw/zinc/39/41/49/818394149.db2.gz BEGKOFBKAZXXCZ-UHFFFAOYSA-N 1 1 266.772 3.070 20 30 CGEDMO Cc1c(Cl)nccc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001232754193 818434616 /nfs/dbraw/zinc/43/46/16/818434616.db2.gz WXHYGQSUXIIQLE-LBPRGKRZSA-N 1 1 263.772 3.169 20 30 CGEDMO Cc1c(Cl)nccc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001232754193 818434618 /nfs/dbraw/zinc/43/46/18/818434618.db2.gz WXHYGQSUXIIQLE-LBPRGKRZSA-N 1 1 263.772 3.169 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccc(N(C)C)cc1O ZINC001232841232 818453738 /nfs/dbraw/zinc/45/37/38/818453738.db2.gz YYVHBWWZTZEUSW-UHFFFAOYSA-N 1 1 262.397 3.246 20 30 CGEDMO COCC[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1C#N ZINC001232891186 818466874 /nfs/dbraw/zinc/46/68/74/818466874.db2.gz XDIQZWWCSIXUCG-MRXNPFEDSA-N 1 1 276.355 3.088 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)Cc1cccc(C#N)n1 ZINC001232925675 818475022 /nfs/dbraw/zinc/47/50/22/818475022.db2.gz KOKMQKRGZJWHRQ-UHFFFAOYSA-N 1 1 263.344 3.141 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cccc(C#N)n1 ZINC001232925675 818475026 /nfs/dbraw/zinc/47/50/26/818475026.db2.gz KOKMQKRGZJWHRQ-UHFFFAOYSA-N 1 1 263.344 3.141 20 30 CGEDMO COc1cccc([C@@H]2CCC[N@H+](Cc3[nH]ccc3C#N)C2)c1 ZINC001233048844 818509447 /nfs/dbraw/zinc/50/94/47/818509447.db2.gz OMEVFBNWPCXCOF-MRXNPFEDSA-N 1 1 295.386 3.275 20 30 CGEDMO COc1cccc([C@@H]2CCC[N@@H+](Cc3[nH]ccc3C#N)C2)c1 ZINC001233048844 818509457 /nfs/dbraw/zinc/50/94/57/818509457.db2.gz OMEVFBNWPCXCOF-MRXNPFEDSA-N 1 1 295.386 3.275 20 30 CGEDMO N#Cc1cc[nH]c1C[NH+]1CCC(C#Cc2ccccc2)CC1 ZINC001233049160 818509665 /nfs/dbraw/zinc/50/96/65/818509665.db2.gz ZGUIQRZGQHTFLR-UHFFFAOYSA-N 1 1 289.382 3.150 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCCC(F)(F)[C@H](F)C1 ZINC001233080022 818518388 /nfs/dbraw/zinc/51/83/88/818518388.db2.gz BMVBFSWRSICNDY-CQSZACIVSA-N 1 1 282.309 3.436 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCC(F)(F)[C@H](F)C1 ZINC001233080022 818518392 /nfs/dbraw/zinc/51/83/92/818518392.db2.gz BMVBFSWRSICNDY-CQSZACIVSA-N 1 1 282.309 3.436 20 30 CGEDMO CCCN(CCC[NH+](C)C)Cc1ccc(C#N)cc1C ZINC001233083222 818520465 /nfs/dbraw/zinc/52/04/65/818520465.db2.gz AWDJVCIFFOUWBW-UHFFFAOYSA-N 1 1 273.424 3.030 20 30 CGEDMO CCC[N@H+](CCCN(C)C)Cc1ccc(C#N)cc1C ZINC001233083222 818520474 /nfs/dbraw/zinc/52/04/74/818520474.db2.gz AWDJVCIFFOUWBW-UHFFFAOYSA-N 1 1 273.424 3.030 20 30 CGEDMO CCC[N@@H+](CCCN(C)C)Cc1ccc(C#N)cc1C ZINC001233083222 818520483 /nfs/dbraw/zinc/52/04/83/818520483.db2.gz AWDJVCIFFOUWBW-UHFFFAOYSA-N 1 1 273.424 3.030 20 30 CGEDMO Cc1ncc(C[NH+]2CCC(C#N)(c3ccccc3)CC2)o1 ZINC001233365001 818597359 /nfs/dbraw/zinc/59/73/59/818597359.db2.gz RUFLFUSAFYDBMO-UHFFFAOYSA-N 1 1 281.359 3.040 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)c(O)c1 ZINC001233386475 818606376 /nfs/dbraw/zinc/60/63/76/818606376.db2.gz VQCTUQPYLYPBDO-AWEZNQCLSA-N 1 1 296.345 3.392 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3ccccc3F)C2)c(O)c1 ZINC001233386475 818606379 /nfs/dbraw/zinc/60/63/79/818606379.db2.gz VQCTUQPYLYPBDO-AWEZNQCLSA-N 1 1 296.345 3.392 20 30 CGEDMO Cc1ccc2c(c1)CC[N@H+](Cc1ccc(C#N)cc1[O-])C2 ZINC001233387978 818607080 /nfs/dbraw/zinc/60/70/80/818607080.db2.gz HFNSNGFGAMXKJV-UHFFFAOYSA-N 1 1 278.355 3.131 20 30 CGEDMO Cc1ccc2c(c1)CC[N@@H+](Cc1ccc(C#N)cc1O)C2 ZINC001233387978 818607085 /nfs/dbraw/zinc/60/70/85/818607085.db2.gz HFNSNGFGAMXKJV-UHFFFAOYSA-N 1 1 278.355 3.131 20 30 CGEDMO Cc1ccc2c(c1)CC[N@H+](Cc1ccc(C#N)cc1O)C2 ZINC001233387978 818607090 /nfs/dbraw/zinc/60/70/90/818607090.db2.gz HFNSNGFGAMXKJV-UHFFFAOYSA-N 1 1 278.355 3.131 20 30 CGEDMO C[N@@H+](CC/C=C/c1cccnc1)Cc1ccc(C#N)cc1[O-] ZINC001233387592 818607229 /nfs/dbraw/zinc/60/72/29/818607229.db2.gz OXOSMTNZKCSHMW-GORDUTHDSA-N 1 1 293.370 3.194 20 30 CGEDMO C[N@H+](CC/C=C/c1cccnc1)Cc1ccc(C#N)cc1O ZINC001233387592 818607232 /nfs/dbraw/zinc/60/72/32/818607232.db2.gz OXOSMTNZKCSHMW-GORDUTHDSA-N 1 1 293.370 3.194 20 30 CGEDMO C[N@@H+](CC/C=C/c1cccnc1)Cc1ccc(C#N)cc1O ZINC001233387592 818607236 /nfs/dbraw/zinc/60/72/36/818607236.db2.gz OXOSMTNZKCSHMW-GORDUTHDSA-N 1 1 293.370 3.194 20 30 CGEDMO CC[N@@H+](Cc1cccc(OC)c1)Cc1ccc(C#N)cc1[O-] ZINC001233386749 818607336 /nfs/dbraw/zinc/60/73/36/818607336.db2.gz HJPBMYYSVDEQIS-UHFFFAOYSA-N 1 1 296.370 3.295 20 30 CGEDMO CC[N@H+](Cc1cccc(OC)c1)Cc1ccc(C#N)cc1O ZINC001233386749 818607338 /nfs/dbraw/zinc/60/73/38/818607338.db2.gz HJPBMYYSVDEQIS-UHFFFAOYSA-N 1 1 296.370 3.295 20 30 CGEDMO CC[N@@H+](Cc1cccc(OC)c1)Cc1ccc(C#N)cc1O ZINC001233386749 818607344 /nfs/dbraw/zinc/60/73/44/818607344.db2.gz HJPBMYYSVDEQIS-UHFFFAOYSA-N 1 1 296.370 3.295 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H]2c2ccccc2)c([O-])c1 ZINC001233386800 818607813 /nfs/dbraw/zinc/60/78/13/818607813.db2.gz JFOQNTKZVVDQJD-INIZCTEOSA-N 1 1 264.328 3.211 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H]2c2ccccc2)c(O)c1 ZINC001233386800 818607816 /nfs/dbraw/zinc/60/78/16/818607816.db2.gz JFOQNTKZVVDQJD-INIZCTEOSA-N 1 1 264.328 3.211 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H]2c2ccccc2)c(O)c1 ZINC001233386800 818607822 /nfs/dbraw/zinc/60/78/22/818607822.db2.gz JFOQNTKZVVDQJD-INIZCTEOSA-N 1 1 264.328 3.211 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CC1CCC1 ZINC001233519013 818631485 /nfs/dbraw/zinc/63/14/85/818631485.db2.gz DHCOXWPIUBJGMY-ZBFHGGJFSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)/C(C)=C/C ZINC001233562315 818642592 /nfs/dbraw/zinc/64/25/92/818642592.db2.gz YJNPMMBEHBLAPO-KBHCHJSJSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C1=CCCC1 ZINC001233601154 818655002 /nfs/dbraw/zinc/65/50/02/818655002.db2.gz RDVSANRUBNAIOB-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CC[N@@H+](Cc1ccc2c(n1)OCCO2)C1CCCCC1 ZINC001233905513 818728289 /nfs/dbraw/zinc/72/82/89/818728289.db2.gz WFCPQUZSOHOENP-UHFFFAOYSA-N 1 1 288.391 3.174 20 30 CGEDMO C#Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nc1 ZINC001233966319 818743023 /nfs/dbraw/zinc/74/30/23/818743023.db2.gz UXKKIALSQOAQSS-GOSISDBHSA-N 1 1 292.382 3.106 20 30 CGEDMO C=C(C)[C@@H]1CC=C(CN2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001234994742 818971478 /nfs/dbraw/zinc/97/14/78/818971478.db2.gz SSJHRXVCUFIERJ-MSOLQXFVSA-N 1 1 274.452 3.365 20 30 CGEDMO C=CCCCCCN1CCC[C@@]2(CCC[NH2+]2)CC1 ZINC001235042256 818988306 /nfs/dbraw/zinc/98/83/06/818988306.db2.gz XASIJKTVUKZURB-INIZCTEOSA-N 1 1 250.430 3.341 20 30 CGEDMO C=CCCCCCN1CCCC[C@@]12CCC[NH2+]C2 ZINC001235174531 819024323 /nfs/dbraw/zinc/02/43/23/819024323.db2.gz UCRXYTLDGZOZDC-INIZCTEOSA-N 1 1 250.430 3.341 20 30 CGEDMO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccccc2CC#N)no1 ZINC001235510540 819113145 /nfs/dbraw/zinc/11/31/45/819113145.db2.gz BSRUGNOXWMBFSH-QGZVFWFLSA-N 1 1 281.359 3.386 20 30 CGEDMO Cc1cc([C@H]2CCC[N@H+]2Cc2ccccc2CC#N)no1 ZINC001235510540 819113151 /nfs/dbraw/zinc/11/31/51/819113151.db2.gz BSRUGNOXWMBFSH-QGZVFWFLSA-N 1 1 281.359 3.386 20 30 CGEDMO C[N@@H+](Cc1c(F)cc(C#N)cc1F)CC1CC(F)(F)C1 ZINC001235656428 819130048 /nfs/dbraw/zinc/13/00/48/819130048.db2.gz DNHSMVQHYCSDFW-UHFFFAOYSA-N 1 1 286.272 3.314 20 30 CGEDMO C[N@H+](Cc1c(F)cc(C#N)cc1F)CC1CC(F)(F)C1 ZINC001235656428 819130052 /nfs/dbraw/zinc/13/00/52/819130052.db2.gz DNHSMVQHYCSDFW-UHFFFAOYSA-N 1 1 286.272 3.314 20 30 CGEDMO COCC[C@H]1CCCC[N@@H+]1Cc1c(F)cc(C#N)cc1F ZINC001235657368 819130435 /nfs/dbraw/zinc/13/04/35/819130435.db2.gz OJQKGQWOTFGOLP-CYBMUJFWSA-N 1 1 294.345 3.227 20 30 CGEDMO COCC[C@H]1CCCC[N@H+]1Cc1c(F)cc(C#N)cc1F ZINC001235657368 819130438 /nfs/dbraw/zinc/13/04/38/819130438.db2.gz OJQKGQWOTFGOLP-CYBMUJFWSA-N 1 1 294.345 3.227 20 30 CGEDMO C=CCNCC[N@@H+](C)C1CCC(C(C)(C)C)CC1 ZINC001236009948 819274213 /nfs/dbraw/zinc/27/42/13/819274213.db2.gz ZXYAEEDZFOJAGL-UHFFFAOYSA-N 1 1 252.446 3.299 20 30 CGEDMO C=CCNCC[N@H+](C)C1CCC(C(C)(C)C)CC1 ZINC001236009948 819274219 /nfs/dbraw/zinc/27/42/19/819274219.db2.gz ZXYAEEDZFOJAGL-UHFFFAOYSA-N 1 1 252.446 3.299 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3cccc4occc43)CC[C@@H]2S1 ZINC001236738461 819588984 /nfs/dbraw/zinc/58/89/84/819588984.db2.gz VJRXXDRANMWRDN-HNNXBMFYSA-N 1 1 285.368 3.207 20 30 CGEDMO O=C1C=C2C[N@@H+](Cc3cccc4occc43)CCC2S1 ZINC001236738461 819588988 /nfs/dbraw/zinc/58/89/88/819588988.db2.gz VJRXXDRANMWRDN-HNNXBMFYSA-N 1 1 285.368 3.207 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3cccc4occc43)CCC2S1 ZINC001236738461 819588990 /nfs/dbraw/zinc/58/89/90/819588990.db2.gz VJRXXDRANMWRDN-HNNXBMFYSA-N 1 1 285.368 3.207 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)c(Br)c1)C1CC1 ZINC001236856949 819625148 /nfs/dbraw/zinc/62/51/48/819625148.db2.gz ULJIYFZOYDJUIK-UHFFFAOYSA-N 1 1 279.181 3.305 20 30 CGEDMO CC(=O)Nc1ccccc1C[N@H+](CCC#N)C1CCCC1 ZINC001237408892 819746775 /nfs/dbraw/zinc/74/67/75/819746775.db2.gz CKTNGNZHRMIIAZ-UHFFFAOYSA-N 1 1 285.391 3.303 20 30 CGEDMO CC(=O)Nc1ccccc1C[N@@H+](CCC#N)C1CCCC1 ZINC001237408892 819746780 /nfs/dbraw/zinc/74/67/80/819746780.db2.gz CKTNGNZHRMIIAZ-UHFFFAOYSA-N 1 1 285.391 3.303 20 30 CGEDMO Cn1cc(C[N@@H+](C)CCC2CC2)c2cc(C#N)ccc21 ZINC001237473119 819758682 /nfs/dbraw/zinc/75/86/82/819758682.db2.gz FKQWOXVSFSFNTD-UHFFFAOYSA-N 1 1 267.376 3.282 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(CC(=O)OCC)cc1 ZINC001237476833 819761134 /nfs/dbraw/zinc/76/11/34/819761134.db2.gz DEJYEFKWEGLOBH-UHFFFAOYSA-N 1 1 275.392 3.190 20 30 CGEDMO N#Cc1cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c(F)cc1F ZINC001237523686 819770151 /nfs/dbraw/zinc/77/01/51/819770151.db2.gz CVYNDZIYBUHNNM-TXEJJXNPSA-N 1 1 276.330 3.458 20 30 CGEDMO CCC1CC[NH+](Cc2cc(C#N)c(F)cc2F)CC1 ZINC001237524430 819770994 /nfs/dbraw/zinc/77/09/94/819770994.db2.gz ILTNXWVGSWASEW-UHFFFAOYSA-N 1 1 264.319 3.458 20 30 CGEDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C#N)CC2)c1O ZINC001237687155 819806094 /nfs/dbraw/zinc/80/60/94/819806094.db2.gz RTJQJPLHZFCNAX-GFCCVEGCSA-N 1 1 278.783 3.480 20 30 CGEDMO C=CC[NH+]1CCN(Cc2ccc(Cl)c(CC)c2)CC1 ZINC001237745921 819833916 /nfs/dbraw/zinc/83/39/16/819833916.db2.gz QTEKAIQPWPMUBG-UHFFFAOYSA-N 1 1 278.827 3.206 20 30 CGEDMO CO[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)CC1 ZINC001237752103 819837246 /nfs/dbraw/zinc/83/72/46/819837246.db2.gz SGGWDVIHJGRUKN-OAHLLOKOSA-N 1 1 278.783 3.213 20 30 CGEDMO COc1ncc(C2CC2)cc1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001238029522 819916702 /nfs/dbraw/zinc/91/67/02/819916702.db2.gz URLRKXRCBZHXBV-ZDUSSCGKSA-N 1 1 285.391 3.093 20 30 CGEDMO COc1ncc(C2CC2)cc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001238029522 819916706 /nfs/dbraw/zinc/91/67/06/819916706.db2.gz URLRKXRCBZHXBV-ZDUSSCGKSA-N 1 1 285.391 3.093 20 30 CGEDMO C=CCC[N@H+](Cc1ccccc1)Cc1c(N)ccnc1F ZINC001238153033 819945911 /nfs/dbraw/zinc/94/59/11/819945911.db2.gz HETNFBMAZLDZFZ-UHFFFAOYSA-N 1 1 285.366 3.381 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1c(N)ccnc1F ZINC001238153033 819945915 /nfs/dbraw/zinc/94/59/15/819945915.db2.gz HETNFBMAZLDZFZ-UHFFFAOYSA-N 1 1 285.366 3.381 20 30 CGEDMO C[N@H+](Cc1ccncc1)Cc1ccc(Cl)c(C#N)c1 ZINC001238189562 819951450 /nfs/dbraw/zinc/95/14/50/819951450.db2.gz SAAJMMRPYJVMTL-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO C[N@@H+](Cc1ccncc1)Cc1ccc(Cl)c(C#N)c1 ZINC001238189562 819951458 /nfs/dbraw/zinc/95/14/58/819951458.db2.gz SAAJMMRPYJVMTL-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO C#CC[NH+]1CCN(Cc2cc(Cl)c(Cl)cc2C)CC1 ZINC001238265586 819970104 /nfs/dbraw/zinc/97/01/04/819970104.db2.gz CVHGQTAIFXQVCX-UHFFFAOYSA-N 1 1 297.229 3.053 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cnc(OC(C)C)c(C)c2)C1 ZINC001238387419 819984486 /nfs/dbraw/zinc/98/44/86/819984486.db2.gz SIVOFTDNFCCESS-HNNXBMFYSA-N 1 1 272.392 3.022 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cc(OCC)ncc1F ZINC001238732183 820104795 /nfs/dbraw/zinc/10/47/95/820104795.db2.gz NGSUECVXSDYDCL-UHFFFAOYSA-N 1 1 266.360 3.408 20 30 CGEDMO CCc1cc(C[N@H+]2CC[C@H](C)[C@](C)(O)CC2)ccc1C#N ZINC001238766478 820111781 /nfs/dbraw/zinc/11/17/81/820111781.db2.gz MLTRPUYQHYLLPY-KBXCAEBGSA-N 1 1 286.419 3.104 20 30 CGEDMO CCc1cc(CN2CC[N@@H+](C(C)C)[C@@H](C)C2)ccc1C#N ZINC001238772516 820114368 /nfs/dbraw/zinc/11/43/68/820114368.db2.gz QFYNZEYRRXGYEO-HNNXBMFYSA-N 1 1 285.435 3.035 20 30 CGEDMO CCc1cc(C[N@H+]2CCC3(C2)CCOCC3)ccc1C#N ZINC001238774213 820115180 /nfs/dbraw/zinc/11/51/80/820115180.db2.gz HSAQHTRMZZIKCO-UHFFFAOYSA-N 1 1 284.403 3.123 20 30 CGEDMO Cc1[nH+]ccn1-c1cc(/C=C/c2ccc(C#N)cc2)ncn1 ZINC001239282356 820251273 /nfs/dbraw/zinc/25/12/73/820251273.db2.gz MWORHRKMCOLMPX-VOTSOKGWSA-N 1 1 287.326 3.013 20 30 CGEDMO C[N@@H+]1CC=C(c2cc(C(F)(F)F)ccc2CC#N)CC1 ZINC001241330317 821736938 /nfs/dbraw/zinc/73/69/38/821736938.db2.gz PVJLACBQQWWYAL-UHFFFAOYSA-N 1 1 280.293 3.490 20 30 CGEDMO C[N@H+]1CCC=C(c2ccccc2C2(C#N)CCC2)C1 ZINC001241569950 821954293 /nfs/dbraw/zinc/95/42/93/821954293.db2.gz DFHDTAGZNBVWLZ-UHFFFAOYSA-N 1 1 252.361 3.351 20 30 CGEDMO C#CC[N@H+](Cc1cc(Cl)ccc1OCC#N)CC1CC1 ZINC001341067468 936426297 /nfs/dbraw/zinc/42/62/97/936426297.db2.gz NPOMCACNBXPGOQ-UHFFFAOYSA-N 1 1 288.778 3.088 20 30 CGEDMO C[C@@H](C[C@H]1CCCC[N@H+]1C)OC(=O)c1csc(C#N)c1 ZINC001345158394 936804641 /nfs/dbraw/zinc/80/46/41/936804641.db2.gz CGPLJEYPVZBFFN-WCQYABFASA-N 1 1 292.404 3.039 20 30 CGEDMO C=C1CCC(C(=O)NCCC[N@H+](CC)CC[C@@H](C)F)CC1 ZINC001479853734 936823659 /nfs/dbraw/zinc/82/36/59/936823659.db2.gz USGQADFLWJTKFU-OAHLLOKOSA-N 1 1 298.446 3.309 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[N@@H+](C2CCCC2)[C@H](C)C1 ZINC001349383924 936948131 /nfs/dbraw/zinc/94/81/31/936948131.db2.gz OIBOBEVBNJEVGN-CQSZACIVSA-N 1 1 278.440 3.064 20 30 CGEDMO COc1ccc(C[C@H](C)[N@@H+](C)C[C@@H](C)CCC#N)cc1 ZINC001349595658 936953458 /nfs/dbraw/zinc/95/34/58/936953458.db2.gz CLUAUPYMIXGJJI-GJZGRUSLSA-N 1 1 274.408 3.498 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)CC1 ZINC001351183459 937010630 /nfs/dbraw/zinc/01/06/30/937010630.db2.gz IDCORFGLRWTIHR-CTWPCTMYSA-N 1 1 298.430 3.260 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)C[C@@H](C)C2CC2)C1 ZINC001480272537 937041137 /nfs/dbraw/zinc/04/11/37/937041137.db2.gz VFANPDOZHDJMJH-TZMCWYRMSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)C[C@@H](C)C2CC2)C1 ZINC001480272537 937041141 /nfs/dbraw/zinc/04/11/41/937041141.db2.gz VFANPDOZHDJMJH-TZMCWYRMSA-N 1 1 298.858 3.003 20 30 CGEDMO CC(C)c1cc([C@H]2CCC[N@H+](CCCC#N)C2)n[nH]1 ZINC001352942319 937054116 /nfs/dbraw/zinc/05/41/16/937054116.db2.gz XISWFTQWJDBIGQ-ZDUSSCGKSA-N 1 1 260.385 3.016 20 30 CGEDMO CC(C)c1cc([C@H]2CCC[N@@H+](CCCC#N)C2)n[nH]1 ZINC001352942319 937054120 /nfs/dbraw/zinc/05/41/20/937054120.db2.gz XISWFTQWJDBIGQ-ZDUSSCGKSA-N 1 1 260.385 3.016 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)c1ccc(F)c(Cl)c1 ZINC001480905882 926769331 /nfs/dbraw/zinc/76/93/31/926769331.db2.gz DGUFIDXDSZQLNW-UHFFFAOYSA-N 1 1 298.789 3.107 20 30 CGEDMO C[C@@H]1CSCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001354699550 937110482 /nfs/dbraw/zinc/11/04/82/937110482.db2.gz GSGIYJWQSMWTBK-NSHDSACASA-N 1 1 280.824 3.397 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CC)CCNC(=O)c1cc(Cl)c[nH]1 ZINC001480961321 926844930 /nfs/dbraw/zinc/84/49/30/926844930.db2.gz PQTVKCXHLQDPTG-GFCCVEGCSA-N 1 1 297.830 3.075 20 30 CGEDMO C=CC[N@@H+](CC)CCNC(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001481004786 926856882 /nfs/dbraw/zinc/85/68/82/926856882.db2.gz ITWJGTSEJWAWPV-YOEHRIQHSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1cccc(C)c1 ZINC001481030747 926866336 /nfs/dbraw/zinc/86/63/36/926866336.db2.gz MDVBSRCXPGDEKP-KRWDZBQOSA-N 1 1 286.419 3.042 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C[C@H]1C=CCCC1 ZINC001481044649 926873009 /nfs/dbraw/zinc/87/30/09/926873009.db2.gz CEZDTQSNRCCGAE-GJZGRUSLSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C[C@H]1C=CCCC1 ZINC001481044649 926873015 /nfs/dbraw/zinc/87/30/15/926873015.db2.gz CEZDTQSNRCCGAE-GJZGRUSLSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)C1(CF)CCC1 ZINC001481057253 926876036 /nfs/dbraw/zinc/87/60/36/926876036.db2.gz GDLUZQCLFRABTJ-CABCVRRESA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[N@@H+](CCNC(=O)c1ccc(C)cc1C)C1CC1 ZINC001481195303 926906233 /nfs/dbraw/zinc/90/62/33/926906233.db2.gz OSWFZYOEBNSRJF-UHFFFAOYSA-N 1 1 286.419 3.074 20 30 CGEDMO N#CC1(C[N@@H+]2CCC[C@]3(C=Cc4ccccc4O3)C2)CC1 ZINC001355036382 937120536 /nfs/dbraw/zinc/12/05/36/937120536.db2.gz SETDLMLQWRRQML-SFHVURJKSA-N 1 1 280.371 3.231 20 30 CGEDMO N#CC1(C[N@H+]2CCC[C@]3(C=Cc4ccccc4O3)C2)CC1 ZINC001355036382 937120540 /nfs/dbraw/zinc/12/05/40/937120540.db2.gz SETDLMLQWRRQML-SFHVURJKSA-N 1 1 280.371 3.231 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)[C@H]1CCC[C@@H]1CC)C(C)C ZINC001481354394 926965941 /nfs/dbraw/zinc/96/59/41/926965941.db2.gz QNFJAFKNHLKYJB-HOTGVXAUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)CCCCC)C1 ZINC001481477302 926995716 /nfs/dbraw/zinc/99/57/16/926995716.db2.gz PQAPJJPVHYFWQN-INIZCTEOSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)CCC)C1 ZINC001481496709 927003604 /nfs/dbraw/zinc/00/36/04/927003604.db2.gz JYTQGFVCPRSBIK-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@]2(C)C=CCC2)C1 ZINC001481493942 927003728 /nfs/dbraw/zinc/00/37/28/927003728.db2.gz KEGRLHUEBDSUSO-FUHWJXTLSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCCC[N@H+](C)CC1CCN(C(=O)C2=CCCC2)CC1 ZINC001481513818 927009421 /nfs/dbraw/zinc/00/94/21/927009421.db2.gz UOVHALFZHTVJRY-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCC[N@@H+](CCNC(=O)[C@@H]1CCC=CCCC1)C1CC1 ZINC001493381933 927042678 /nfs/dbraw/zinc/04/26/78/927042678.db2.gz UGSKDMMIUXILCQ-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CCCCC)C(C)C)C1 ZINC001481708084 927068051 /nfs/dbraw/zinc/06/80/51/927068051.db2.gz ZHTWKPOZHYPVGQ-CVEARBPZSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)C2CC(C)(C)C2)C1 ZINC001481724244 927075685 /nfs/dbraw/zinc/07/56/85/927075685.db2.gz IVXWDDVEVJVPAE-HOCLYGCPSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)/C=C(\C)CC)C1 ZINC001481766824 927084231 /nfs/dbraw/zinc/08/42/31/927084231.db2.gz QPHLWAYYAXJDHH-BRADTZPFSA-N 1 1 284.831 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)/C=C(\C)CC)C1 ZINC001481766824 927084244 /nfs/dbraw/zinc/08/42/44/927084244.db2.gz QPHLWAYYAXJDHH-BRADTZPFSA-N 1 1 284.831 3.018 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)C[C@@H]1C=CCC1 ZINC001482579033 927302037 /nfs/dbraw/zinc/30/20/37/927302037.db2.gz PKFOIAQVYXGGHA-HZPDHXFCSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)C1C[C@@H](C)C[C@H](C)C1 ZINC001482653463 927335886 /nfs/dbraw/zinc/33/58/86/927335886.db2.gz PWIYLRPWZSQZNL-HOTGVXAUSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CC[N@H+](C)CCN(C)C(=O)[C@@]1(C)CCC(C)=C(C)C1 ZINC001482652897 927337881 /nfs/dbraw/zinc/33/78/81/927337881.db2.gz HVHYRDWCIHPDNR-KRWDZBQOSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCC(=C)C)CC[C@@H]21 ZINC001482659993 927340476 /nfs/dbraw/zinc/34/04/76/927340476.db2.gz UZTVFOOSISTSSP-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)c1ccc(C)cc1 ZINC001496826141 927407806 /nfs/dbraw/zinc/40/78/06/927407806.db2.gz XIBGRJYNIHBJBD-INIZCTEOSA-N 1 1 288.435 3.354 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@@H]1CCO[C@@H]1C ZINC001473118708 937164482 /nfs/dbraw/zinc/16/44/82/937164482.db2.gz QSRIXEPGSPINRE-KGLIPLIRSA-N 1 1 263.356 3.239 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)CCCC(F)(F)F ZINC001483386519 927496429 /nfs/dbraw/zinc/49/64/29/927496429.db2.gz FYTYETWISDBXDI-LBPRGKRZSA-N 1 1 294.361 3.122 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)c1cccc(F)c1Cl ZINC001483391111 927496697 /nfs/dbraw/zinc/49/66/97/927496697.db2.gz ZPNKKZDJBUCSMX-NSHDSACASA-N 1 1 298.789 3.105 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)c1c(C)cccc1F ZINC001483428071 927504394 /nfs/dbraw/zinc/50/43/94/927504394.db2.gz YQAJVDIWYLYRGC-AWEZNQCLSA-N 1 1 292.398 3.150 20 30 CGEDMO C=CC[N@H+](C)C[C@@H](C)NC(=O)C/C=C\c1ccc(C)cc1 ZINC001483431372 927506467 /nfs/dbraw/zinc/50/64/67/927506467.db2.gz SMJQRRYLZGGGRG-MWWKQMNYSA-N 1 1 286.419 3.021 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC=CCCC1 ZINC001483658116 927562031 /nfs/dbraw/zinc/56/20/31/927562031.db2.gz GLTRGVRXFPBXCD-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)/C=C(/C)CC)CC2)C1 ZINC001483798979 927625266 /nfs/dbraw/zinc/62/52/66/927625266.db2.gz IYAVLIJDLLQMGC-REZBVGGZSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@H](C)CC)C2)C1 ZINC001483838448 927635595 /nfs/dbraw/zinc/63/55/95/927635595.db2.gz GJSCACMEYDSIJG-SJLPKXTDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@H](C)F ZINC001484017254 927662136 /nfs/dbraw/zinc/66/21/36/927662136.db2.gz ZAKFWUXMSDULLE-OAGGEKHMSA-N 1 1 296.430 3.156 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@]1(C)CCC[N@H+](CC=C(C)C)C1 ZINC001484168422 927686412 /nfs/dbraw/zinc/68/64/12/927686412.db2.gz TVIRLMAFVIEFFS-GOSISDBHSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCCCF ZINC001484451982 927705905 /nfs/dbraw/zinc/70/59/05/927705905.db2.gz CHCSPRPKMGKSRY-HZPDHXFCSA-N 1 1 296.430 3.158 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(C)=O ZINC001484451243 927707423 /nfs/dbraw/zinc/70/74/23/927707423.db2.gz XLYVTFJKCDXDNL-HOTGVXAUSA-N 1 1 266.429 3.042 20 30 CGEDMO C=CCCC[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[C@H](F)C1 ZINC001484741750 927748565 /nfs/dbraw/zinc/74/85/65/927748565.db2.gz BXYDIQAVNBXDDH-HOTGVXAUSA-N 1 1 298.446 3.261 20 30 CGEDMO C#CCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[C@@H]1CC ZINC001484763791 927752651 /nfs/dbraw/zinc/75/26/51/927752651.db2.gz TWGBCRPIAVSYSB-DLBZAZTESA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@H+](CC2CCC2)CC1(C)C ZINC001484938263 927775037 /nfs/dbraw/zinc/77/50/37/927775037.db2.gz XSXKRDODKYEJGQ-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C(CC)(CC)CC)C[C@H]1C ZINC001484980072 927782975 /nfs/dbraw/zinc/78/29/75/927782975.db2.gz HXVOOMUTNDQGHG-HUUCEWRRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]1C[N@H+](C)C[C@@H](C)CC ZINC001485067110 927799190 /nfs/dbraw/zinc/79/91/90/927799190.db2.gz HRMZCNFXYZSVQY-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC2(CC2)C1 ZINC001485057796 927800201 /nfs/dbraw/zinc/80/02/01/927800201.db2.gz ZWQLDQZBVOSSHZ-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)c1coc2ccccc21 ZINC001485396107 927859520 /nfs/dbraw/zinc/85/95/20/927859520.db2.gz VBAMBBKUIFUMPC-CYBMUJFWSA-N 1 1 286.375 3.059 20 30 CGEDMO C#CC[N@@H+]1C[C@@H](NC(=O)CCCCC(C)(C)C)C(C)(C)C1 ZINC001485568688 927888882 /nfs/dbraw/zinc/88/88/82/927888882.db2.gz FYYZAUSOVXASHX-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](C/C=C\Cl)CC1(C)C ZINC001485568724 927889342 /nfs/dbraw/zinc/88/93/42/927889342.db2.gz GJXZWBORZGLIDX-MEJMFZKBSA-N 1 1 298.858 3.168 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)CC1(C)C ZINC001485568724 927889350 /nfs/dbraw/zinc/88/93/50/927889350.db2.gz GJXZWBORZGLIDX-MEJMFZKBSA-N 1 1 298.858 3.168 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C2CCC2)C(C)(C)C1 ZINC001485569131 927891128 /nfs/dbraw/zinc/89/11/28/927891128.db2.gz GJMMKLRPSFHIGP-GOEBONIOSA-N 1 1 292.467 3.215 20 30 CGEDMO CNc1ccc(C)cc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001474625272 937207800 /nfs/dbraw/zinc/20/78/00/937207800.db2.gz LKVFEISSZAUVEE-CQSZACIVSA-N 1 1 257.381 3.162 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)CCC3(C)CC3)CCC[C@@H]12 ZINC001486161320 927994019 /nfs/dbraw/zinc/99/40/19/927994019.db2.gz TXRUMFMFFQZSBQ-QAPCUYQASA-N 1 1 290.451 3.256 20 30 CGEDMO C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@H](C)CC)CC1 ZINC001486435144 928021172 /nfs/dbraw/zinc/02/11/72/928021172.db2.gz SFSDBDOIINLKQE-DGCLKSJQSA-N 1 1 286.847 3.002 20 30 CGEDMO C=CCCCCC[N@@H+]1CC=C(CNC(=O)C2(C)CC2)CC1 ZINC001486508819 928029191 /nfs/dbraw/zinc/02/91/91/928029191.db2.gz CJSWOUSGSOUANP-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)Cc1cccc2nsnc21 ZINC000766083526 928047586 /nfs/dbraw/zinc/04/75/86/928047586.db2.gz JJBJPMVKQJUGAY-UHFFFAOYSA-N 1 1 288.420 3.453 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)Cc1cccc2nsnc21 ZINC000766083526 928047599 /nfs/dbraw/zinc/04/75/99/928047599.db2.gz JJBJPMVKQJUGAY-UHFFFAOYSA-N 1 1 288.420 3.453 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCCC[C@]2(CC[N@@H+](CC)C2)C1 ZINC001324555583 928094305 /nfs/dbraw/zinc/09/43/05/928094305.db2.gz ABTXWKYSPRJCAG-FUHWJXTLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](CCc2ccccc2CC)C1 ZINC001324696054 928149914 /nfs/dbraw/zinc/14/99/14/928149914.db2.gz KPBFZHAYEGVITH-QGZVFWFLSA-N 1 1 259.393 3.068 20 30 CGEDMO COc1ccc(N[C@@H]2CCc3c2cccc3C#N)[nH+]c1C ZINC001171063837 928185597 /nfs/dbraw/zinc/18/55/97/928185597.db2.gz QSGRXOSOADATBV-OAHLLOKOSA-N 1 1 279.343 3.370 20 30 CGEDMO CCOC(=O)[C@@H]([NH2+]C1CCC(CC#N)CC1)[C@@H](C)CC ZINC001173329700 928229098 /nfs/dbraw/zinc/22/90/98/928229098.db2.gz LXWSKTYUEKYAQJ-PPWQZUPISA-N 1 1 280.412 3.026 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C2(CC(C)C)CC2)C1 ZINC001190593822 928257347 /nfs/dbraw/zinc/25/73/47/928257347.db2.gz FVFISYKGAIQMKD-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(CCCC)CC1 ZINC001488652504 928287133 /nfs/dbraw/zinc/28/71/33/928287133.db2.gz FUYQOYLPWVNGBE-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)C1CCCC1 ZINC001488675090 928290621 /nfs/dbraw/zinc/29/06/21/928290621.db2.gz FEPDGSPPXOGOPZ-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)CCC)[C@H]1CC ZINC001489107349 928314158 /nfs/dbraw/zinc/31/41/58/928314158.db2.gz ZIZHPOJKYVODQW-HRCADAONSA-N 1 1 280.456 3.358 20 30 CGEDMO C#CCCCC(=O)N[C@H]1CC[N@H+](CC/C=C\CCC)[C@@H]1C ZINC001489260473 928320994 /nfs/dbraw/zinc/32/09/94/928320994.db2.gz FUFASDHVFQHFJK-DSPBCKRPSA-N 1 1 290.451 3.115 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)CCCCC(C)(C)C)[C@H]1C ZINC001489268746 928322009 /nfs/dbraw/zinc/32/20/09/928322009.db2.gz RDICOPWRYMQJND-CVEARBPZSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CC[N@@H+](C)CCCNC(=O)c1cccc(-c2ccoc2)c1 ZINC001490267997 928343351 /nfs/dbraw/zinc/34/33/51/928343351.db2.gz DQXRCEZAYXWIIR-UHFFFAOYSA-N 1 1 298.386 3.184 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)c1ccoc1C(C)C)C1CC1 ZINC001490392599 928352203 /nfs/dbraw/zinc/35/22/03/928352203.db2.gz COTIKVIUTGNEFY-UHFFFAOYSA-N 1 1 290.407 3.173 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)CCCC)C1 ZINC001490523411 928370927 /nfs/dbraw/zinc/37/09/27/928370927.db2.gz VVFSABFCYNBPNA-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)C(C)(CC)CC)C1 ZINC001490577159 928374766 /nfs/dbraw/zinc/37/47/66/928374766.db2.gz UFBODWRBMRCJIV-GJZGRUSLSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC(C)(C)CC(=O)N(CC)[C@@H]1CC[N@H+](C[C@@H](F)CC)C1 ZINC001318474195 928437907 /nfs/dbraw/zinc/43/79/07/928437907.db2.gz SNRGTVZQXZTCGM-LSDHHAIUSA-N 1 1 298.446 3.260 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001322282238 928509495 /nfs/dbraw/zinc/50/94/95/928509495.db2.gz WQUKTYAGKKPYCX-JYJNAYRXSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2nn(C)cc2C)CCCC1(C)C ZINC001307728544 928515181 /nfs/dbraw/zinc/51/51/81/928515181.db2.gz DSDUBBGENUKVPP-OAHLLOKOSA-N 1 1 261.413 3.295 20 30 CGEDMO CNc1ccc(C)cc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC001461992460 928771829 /nfs/dbraw/zinc/77/18/29/928771829.db2.gz BHLHWGODHCGERI-MRXNPFEDSA-N 1 1 257.381 3.162 20 30 CGEDMO CNc1ccc(C)cc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC001461992460 928771835 /nfs/dbraw/zinc/77/18/35/928771835.db2.gz BHLHWGODHCGERI-MRXNPFEDSA-N 1 1 257.381 3.162 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)CCCCCC)C1 ZINC001491129624 928834233 /nfs/dbraw/zinc/83/42/33/928834233.db2.gz UFAWYBUCYKXDQI-INIZCTEOSA-N 1 1 280.456 3.361 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CC(C)(C)C=C)C1 ZINC001491286651 928853800 /nfs/dbraw/zinc/85/38/00/928853800.db2.gz KVBMWBICQKQAIQ-HOTGVXAUSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCC[C@H]1CCCN1C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001439848478 937322112 /nfs/dbraw/zinc/32/21/12/937322112.db2.gz SJYUYTVSTPBDQP-YOEHRIQHSA-N 1 1 296.430 3.156 20 30 CGEDMO C=CC[C@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001453351617 937402223 /nfs/dbraw/zinc/40/22/23/937402223.db2.gz YWMDBDQSPZMZKT-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CCCCCCC[N@H+](CCOC)C1CCCC1 ZINC001459389560 937486802 /nfs/dbraw/zinc/48/68/02/937486802.db2.gz GBVHVEKWAVMFEF-UHFFFAOYSA-N 1 1 251.414 3.461 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001459401766 937487476 /nfs/dbraw/zinc/48/74/76/937487476.db2.gz AZOHVOAYLDYILX-CABCVRRESA-N 1 1 294.439 3.120 20 30 CGEDMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2cc(C#N)ccn2)C1 ZINC001459554105 937491585 /nfs/dbraw/zinc/49/15/85/937491585.db2.gz AFZVVOZHPZOZPY-CABCVRRESA-N 1 1 275.421 3.059 20 30 CGEDMO COCC#CC[N@H+]1CCC[C@H]1CCC1CCCCC1 ZINC001459768801 937499421 /nfs/dbraw/zinc/49/94/21/937499421.db2.gz KTKBGAWPHAEINY-KRWDZBQOSA-N 1 1 263.425 3.461 20 30 CGEDMO C#CC[N@H+](CCOc1ccc(F)c(Cl)c1)CC1CC1 ZINC001459779473 937499636 /nfs/dbraw/zinc/49/96/36/937499636.db2.gz VHXURBRKQYCQBR-UHFFFAOYSA-N 1 1 281.758 3.203 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)CCSc1cccc(Cl)c1 ZINC001460026776 937511979 /nfs/dbraw/zinc/51/19/79/937511979.db2.gz CAVDTDRJZHYJJD-NSHDSACASA-N 1 1 253.798 3.386 20 30 CGEDMO CC[C@@H]1C[N@@H+](CC)CCN1Cc1ccc(C#N)cc1Cl ZINC001460136519 937517133 /nfs/dbraw/zinc/51/71/33/937517133.db2.gz CNDXAMQTBMELKV-OAHLLOKOSA-N 1 1 291.826 3.128 20 30 CGEDMO CC(=O)[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2Cl)C1 ZINC001140602181 931959493 /nfs/dbraw/zinc/95/94/93/931959493.db2.gz GBRDROALSDWBKZ-CYBMUJFWSA-N 1 1 276.767 3.013 20 30 CGEDMO CC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Cl)C1 ZINC001140602181 931959497 /nfs/dbraw/zinc/95/94/97/931959497.db2.gz GBRDROALSDWBKZ-CYBMUJFWSA-N 1 1 276.767 3.013 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC(C)(C)C1 ZINC001157172713 931979814 /nfs/dbraw/zinc/97/98/14/931979814.db2.gz RXEXIZOKIVSHNJ-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H](C(=O)OCC)C1 ZINC000088211617 932005125 /nfs/dbraw/zinc/00/51/25/932005125.db2.gz KDAURPXXQLUFTI-CQSZACIVSA-N 1 1 255.402 3.232 20 30 CGEDMO COc1cc(Nc2cccc(C#N)c2F)[nH+]cc1C ZINC001216415410 932020246 /nfs/dbraw/zinc/02/02/46/932020246.db2.gz LCMADEKVDVPNPV-UHFFFAOYSA-N 1 1 257.268 3.153 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC1(C)CC1 ZINC001329936159 932028769 /nfs/dbraw/zinc/02/87/69/932028769.db2.gz HPRRXIWVRZAPOV-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cccc(C#N)c1Cl)C2 ZINC001229068287 932086321 /nfs/dbraw/zinc/08/63/21/932086321.db2.gz WZBQNRLEHPYHIE-ITGUQSILSA-N 1 1 276.767 3.216 20 30 CGEDMO COC[C@@H]([NH2+]Cc1csc(C#N)c1)c1ccc(F)cc1 ZINC001461255176 937572155 /nfs/dbraw/zinc/57/21/55/937572155.db2.gz QOYGVEQDHLRWMW-OAHLLOKOSA-N 1 1 290.363 3.236 20 30 CGEDMO C=CCOc1ccccc1O[C@H]1CC[N@H+](C(C)C)C1 ZINC001229611835 932177954 /nfs/dbraw/zinc/17/79/54/932177954.db2.gz MYWFJDGQTOZAAB-AWEZNQCLSA-N 1 1 261.365 3.113 20 30 CGEDMO C/C(=N\O)c1ccccc1O[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001229736986 932477997 /nfs/dbraw/zinc/47/79/97/932477997.db2.gz NAIPGVICVSRWRO-INQVIGDZSA-N 1 1 276.380 3.136 20 30 CGEDMO C[C@@H]([N@@H+](C)Cc1cc(C#N)ccc1N(C)C)C1(C)CC1 ZINC001461884137 937603716 /nfs/dbraw/zinc/60/37/16/937603716.db2.gz XOIXGIRIBWUYCS-CYBMUJFWSA-N 1 1 271.408 3.245 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H]1C1CCN(C(C)=O)CC1 ZINC001230485932 932577439 /nfs/dbraw/zinc/57/74/39/932577439.db2.gz OCXBXSBLDMEVKP-GOSISDBHSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCCC)CC1 ZINC001230512606 932580013 /nfs/dbraw/zinc/58/00/13/932580013.db2.gz BFZXMCWLNLGJKT-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCCC(=O)N1CCC([C@H]2CCC[N@@H+]2CC)CC1 ZINC001230591572 932595594 /nfs/dbraw/zinc/59/55/94/932595594.db2.gz CJCIODMGISVIOV-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC1CC1 ZINC001230604385 932596761 /nfs/dbraw/zinc/59/67/61/932596761.db2.gz YVAJZFUUCVSWJF-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)CC ZINC001230809527 932626563 /nfs/dbraw/zinc/62/65/63/932626563.db2.gz GESMLSCYNXNVMK-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)SC ZINC001230848753 932630105 /nfs/dbraw/zinc/63/01/05/932630105.db2.gz KNXRDWWGVGFOPF-CABCVRRESA-N 1 1 298.496 3.017 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](CC)CCCC ZINC001230845002 932630133 /nfs/dbraw/zinc/63/01/33/932630133.db2.gz USIHRQLJKGJSSJ-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CC)CCCC ZINC001230845004 932630350 /nfs/dbraw/zinc/63/03/50/932630350.db2.gz USIHRQLJKGJSSJ-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO COCC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)s1 ZINC001232843979 932683113 /nfs/dbraw/zinc/68/31/13/932683113.db2.gz JXCKOOSERSWYCT-GFCCVEGCSA-N 1 1 264.394 3.011 20 30 CGEDMO C[C@H]([NH2+]CC(C)(C)C#N)c1ccnn1-c1ccccc1 ZINC001331966850 932727741 /nfs/dbraw/zinc/72/77/41/932727741.db2.gz ZAHWWLAGCDEBLQ-ZDUSSCGKSA-N 1 1 268.364 3.073 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CC=CCC1 ZINC001316600284 932744308 /nfs/dbraw/zinc/74/43/08/932744308.db2.gz IDYNLNRKPBWLSS-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C#CC[N@H+](C)CCN(C(=O)[C@H]1CCCC[C@@H]1CC)C(C)C ZINC001332736113 932753630 /nfs/dbraw/zinc/75/36/30/932753630.db2.gz WDSRGNLXYYHGOG-IRXDYDNUSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)C2CCCC2)C1 ZINC001491903907 932794957 /nfs/dbraw/zinc/79/49/57/932794957.db2.gz IKPROKMAXNBGQF-DOTOQJQBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)C2CCCC2)C1 ZINC001491903910 932796362 /nfs/dbraw/zinc/79/63/62/932796362.db2.gz IKPROKMAXNBGQF-WBVHZDCISA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)/C=C\C(C)(C)C)C1 ZINC001491917257 932796415 /nfs/dbraw/zinc/79/64/15/932796415.db2.gz URRQITLTBHVFNA-WOLCWHLNSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)C(CC)CC)C1 ZINC001491910303 932796591 /nfs/dbraw/zinc/79/65/91/932796591.db2.gz PSTYRTPRYNPKCV-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)C(C)C)C1 ZINC001491929263 932797691 /nfs/dbraw/zinc/79/76/91/932797691.db2.gz NKCOUZSPICWLSU-HNNXBMFYSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)/C=C(\C)CC)C1 ZINC001491924706 932797804 /nfs/dbraw/zinc/79/78/04/932797804.db2.gz IBSUNJFGYHPCCP-ASNKMWSDSA-N 1 1 278.440 3.232 20 30 CGEDMO C#CCCCCCC(=O)N1CCC[C@@H]([N@H+](C)CCCC)C1 ZINC001491943600 932798057 /nfs/dbraw/zinc/79/80/57/932798057.db2.gz NMXHGGAVMIOHJH-QGZVFWFLSA-N 1 1 292.467 3.293 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)CCC2(C)CC2)C1 ZINC001491956539 932800183 /nfs/dbraw/zinc/80/01/83/932800183.db2.gz PZTPZPGWRIKSOV-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H](C)CCC ZINC001492142652 932806731 /nfs/dbraw/zinc/80/67/31/932806731.db2.gz ABOHYAXZQWDPPO-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC1(C)C ZINC001492166113 932808911 /nfs/dbraw/zinc/80/89/11/932808911.db2.gz HFSACSZEAZPNDT-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C1CC(C)(C(=O)NCC[N@H+](C)CC2CCC(C)CC2)C1 ZINC001492407331 932816575 /nfs/dbraw/zinc/81/65/75/932816575.db2.gz VPKIMSGGIPZNLA-UHFFFAOYSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)CCC(=C)C)[C@H]1CC ZINC001316732909 932848530 /nfs/dbraw/zinc/84/85/30/932848530.db2.gz OHMUDOLJFBNADJ-JKSUJKDBSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)C2(C3CC3)CC2)C1 ZINC001317376523 932861225 /nfs/dbraw/zinc/86/12/25/932861225.db2.gz PVTUMSGFWHKNKI-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+](C)CCCNC(=O)c1c(C)cccc1Cl ZINC001316847477 932870696 /nfs/dbraw/zinc/87/06/96/932870696.db2.gz XQCBWGWYIZCHMM-UHFFFAOYSA-N 1 1 294.826 3.276 20 30 CGEDMO C#CC[C@H]1CC[N@H+](C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC001462461599 937643035 /nfs/dbraw/zinc/64/30/35/937643035.db2.gz PIEOBZDMHWLEDL-GJZGRUSLSA-N 1 1 289.394 3.358 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](CC2([C@@H]3CCCCO3)CCC2)C1 ZINC001307606298 932976518 /nfs/dbraw/zinc/97/65/18/932976518.db2.gz GZWPRPTUOKBHBQ-CVEARBPZSA-N 1 1 279.424 3.003 20 30 CGEDMO CC[C@H]1CC[N@@H+](CCOc2ccccc2C#N)[C@H]1C ZINC001307703259 932989447 /nfs/dbraw/zinc/98/94/47/932989447.db2.gz QNVDXTPKTZBUFU-KBPBESRZSA-N 1 1 258.365 3.057 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2cc(C(=O)OC)no2)CCCC1(C)C ZINC001307730194 932992396 /nfs/dbraw/zinc/99/23/96/932992396.db2.gz UYGMHAWUHNLFII-AWEZNQCLSA-N 1 1 292.379 3.028 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](CCc2ccc(F)c(F)c2)C1 ZINC001307873575 933011948 /nfs/dbraw/zinc/01/19/48/933011948.db2.gz WGPLDAAPGIZDCK-CQSZACIVSA-N 1 1 263.331 3.243 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001307875175 933014006 /nfs/dbraw/zinc/01/40/06/933014006.db2.gz QOIMZZIOMKUXKC-KBPBESRZSA-N 1 1 267.413 3.252 20 30 CGEDMO C[C@]12C[N@@H+](Cc3csc(C#N)c3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001462618998 937654485 /nfs/dbraw/zinc/65/44/85/937654485.db2.gz PBIMTXFJWYUKSG-LQKXBSAESA-N 1 1 272.417 3.488 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCCC[C@H]1[C@@H]1CCCO1 ZINC001308159077 933060941 /nfs/dbraw/zinc/06/09/41/933060941.db2.gz GXCKIIMRYHAKIC-IRXDYDNUSA-N 1 1 288.366 3.231 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCCC[C@H]1[C@@H]1CCCO1 ZINC001308159077 933060944 /nfs/dbraw/zinc/06/09/44/933060944.db2.gz GXCKIIMRYHAKIC-IRXDYDNUSA-N 1 1 288.366 3.231 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCCO2)s1 ZINC001308160988 933061017 /nfs/dbraw/zinc/06/10/17/933061017.db2.gz QSZRPIYLSAQWGF-HUUCEWRRSA-N 1 1 276.405 3.153 20 30 CGEDMO C[C@H](CC#N)[NH2+]Cc1ccc(SC(F)F)cc1 ZINC001308506267 933122032 /nfs/dbraw/zinc/12/20/32/933122032.db2.gz UAGMJURRUIRCDW-SECBINFHSA-N 1 1 256.321 3.393 20 30 CGEDMO C[C@@H]1[C@H](C)C[N@@H+](Cc2cc(C#N)ccc2N(C)C)[C@H]1C ZINC001308826615 933185878 /nfs/dbraw/zinc/18/58/78/933185878.db2.gz UEWJOEVFUDEAOH-MCIONIFRSA-N 1 1 271.408 3.101 20 30 CGEDMO C#CCCCCCC[NH2+][C@@H](C)C(=O)OCc1ccccc1 ZINC001308839671 933187620 /nfs/dbraw/zinc/18/76/20/933187620.db2.gz JCXKYRUMAWVIOZ-INIZCTEOSA-N 1 1 287.403 3.292 20 30 CGEDMO C=CC[C@H]1CCCC[C@@H]1NC(=O)NCC[N@H+](CC)CCC ZINC001312158166 933341114 /nfs/dbraw/zinc/34/11/14/933341114.db2.gz RSKOIMBKAANEHY-HOTGVXAUSA-N 1 1 295.471 3.152 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](CNC(=O)C2(CC)CCCCC2)C1 ZINC001317534702 933383147 /nfs/dbraw/zinc/38/31/47/933383147.db2.gz FBXFIHCZXXRVLZ-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H](NC(=O)c2ccco2)C1 ZINC001316937902 933460915 /nfs/dbraw/zinc/46/09/15/933460915.db2.gz OOFWCTPKFGWFCO-HNNXBMFYSA-N 1 1 292.423 3.444 20 30 CGEDMO CCCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C#CC(C)(C)C ZINC001328720781 933462604 /nfs/dbraw/zinc/46/26/04/933462604.db2.gz PYGLKIWBNLGUDY-INIZCTEOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)CCC1(C)CC1 ZINC001328779717 933462972 /nfs/dbraw/zinc/46/29/72/933462972.db2.gz ISSLTLAXQJRRCS-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)c1cc(C)c(C)o1 ZINC001316819463 933485627 /nfs/dbraw/zinc/48/56/27/933485627.db2.gz OKXOWOZUTPFSAV-CQSZACIVSA-N 1 1 292.423 3.303 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2(CC)CCC2)CC(C)(C)C1 ZINC001316809166 933486081 /nfs/dbraw/zinc/48/60/81/933486081.db2.gz AJJGJBJGISTMFW-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCNC(=O)C1CCC2(CC2)CC1 ZINC001316837939 933488396 /nfs/dbraw/zinc/48/83/96/933488396.db2.gz LCCWZRNFAVUAHR-UHFFFAOYSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCNC(=O)C1CCC2(CC2)CC1 ZINC001316837939 933488401 /nfs/dbraw/zinc/48/84/01/933488401.db2.gz LCCWZRNFAVUAHR-UHFFFAOYSA-N 1 1 298.858 3.147 20 30 CGEDMO C=CC[N@@H+](CC)CCCNC(=O)c1ccc2c(c1)CCC=C2 ZINC001316908141 933492066 /nfs/dbraw/zinc/49/20/66/933492066.db2.gz XJFMWKFVDYFLHE-UHFFFAOYSA-N 1 1 298.430 3.274 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)c1cscc1C)C1CC1 ZINC001316914413 933495384 /nfs/dbraw/zinc/49/53/84/933495384.db2.gz VGDXUHFXNDSYTR-UHFFFAOYSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)[C@@H](C)[C@@H](C)C(C)(C)C)C1CC1 ZINC001316925503 933497264 /nfs/dbraw/zinc/49/72/64/933497264.db2.gz RNNRWEPTVBZVNT-LSDHHAIUSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C2(F)CCCCC2)C1 ZINC001316992923 933507271 /nfs/dbraw/zinc/50/72/71/933507271.db2.gz WDDMJACCVBJPHX-HUUCEWRRSA-N 1 1 296.430 3.204 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)c2cscc2C)C1 ZINC001317034438 933517834 /nfs/dbraw/zinc/51/78/34/933517834.db2.gz VHNXTCGGWXZPRJ-AWEZNQCLSA-N 1 1 292.448 3.027 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC2(C)C)C1 ZINC001317039509 933518064 /nfs/dbraw/zinc/51/80/64/933518064.db2.gz RMUWZBKDAFSICU-CVEARBPZSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CCCC2CC2)C1 ZINC001317039722 933519868 /nfs/dbraw/zinc/51/98/68/933519868.db2.gz UJDDSWRMBYEDHZ-KRWDZBQOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)C[C@@H](C)CCC)C1 ZINC001317127148 933536765 /nfs/dbraw/zinc/53/67/65/933536765.db2.gz CUQKSOPPLDZAFC-JKSUJKDBSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](CNC(=O)CC(C)(C)C)C1 ZINC001317133695 933537039 /nfs/dbraw/zinc/53/70/39/933537039.db2.gz OSRFCMJCZCFJIH-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCC[N@@H+](CCC(C)C)C1 ZINC001317135791 933538061 /nfs/dbraw/zinc/53/80/61/933538061.db2.gz RESRGROLVZONCG-FUHWJXTLSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](C[C@@H](C)CC)C1 ZINC001317141649 933540000 /nfs/dbraw/zinc/54/00/00/933540000.db2.gz ZYTXQKSETUBMKV-LSDHHAIUSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)C2(CCC)CCC2)C1 ZINC001317139724 933541199 /nfs/dbraw/zinc/54/11/99/933541199.db2.gz QEJNPSOLTRGBDE-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@]1(C)C=CCC1 ZINC001317174606 933546578 /nfs/dbraw/zinc/54/65/78/933546578.db2.gz USKTXVBROWZIBA-AEFFLSMTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC[C@@H]([N@H+](C)CCCC)C1 ZINC001317380166 933582233 /nfs/dbraw/zinc/58/22/33/933582233.db2.gz ZPSGQSWBHWQKEK-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@@H+](C)CCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC001317468160 933598607 /nfs/dbraw/zinc/59/86/07/933598607.db2.gz SFVLOWIXTVHIMV-UHFFFAOYSA-N 1 1 288.435 3.222 20 30 CGEDMO C=C1CC(C)(C(=O)NCC[N@@H+](CC)CCCC2CCC2)C1 ZINC001317485696 933601492 /nfs/dbraw/zinc/60/14/92/933601492.db2.gz CXMLATDRQZVLPC-UHFFFAOYSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)c1ccoc1C1CC1 ZINC001317484086 933603325 /nfs/dbraw/zinc/60/33/25/933603325.db2.gz NINGBEZUTNQADK-UHFFFAOYSA-N 1 1 290.407 3.175 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)[C@H]1CC[C@@H](C)C1)C(C)C ZINC001317706009 933635850 /nfs/dbraw/zinc/63/58/50/933635850.db2.gz ZLOLJSZHABLWKT-CVEARBPZSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCC=CCCC2)C1 ZINC001317786732 933650200 /nfs/dbraw/zinc/65/02/00/933650200.db2.gz BTMJITTWWAQPDE-IRXDYDNUSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001317800483 933652852 /nfs/dbraw/zinc/65/28/52/933652852.db2.gz IJJURLZBZRJGFN-JKSUJKDBSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)C(CC)CC)C1 ZINC001317841636 933657505 /nfs/dbraw/zinc/65/75/05/933657505.db2.gz GHAMUMCMLCSFPQ-CVEARBPZSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C/C(C)=C\CC(=O)N1CC[C@H](C[N@H+](C)CC(=C)Cl)C1 ZINC001317848875 933658810 /nfs/dbraw/zinc/65/88/10/933658810.db2.gz PXNZRPOZURRRSJ-IIEJUSTOSA-N 1 1 296.842 3.042 20 30 CGEDMO C=CCCCCC[NH+]1CC(NC(=O)c2cc(C)oc2C)C1 ZINC001317998107 933673918 /nfs/dbraw/zinc/67/39/18/933673918.db2.gz IEFRUOXMKKAEAU-UHFFFAOYSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CC1(CC(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CCCCC1 ZINC001466010247 937705769 /nfs/dbraw/zinc/70/57/69/937705769.db2.gz DTTNPXYVKXFKKR-GJZGRUSLSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C(CC)CC ZINC001318203961 933694483 /nfs/dbraw/zinc/69/44/83/933694483.db2.gz BWUNDXNCWPBBEJ-PVAVHDDUSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001318276798 933704925 /nfs/dbraw/zinc/70/49/25/933704925.db2.gz SPAJVWUWLYAXJT-FUHWJXTLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@H+](CCC(C)C)C2)CCCC1 ZINC001318309294 933708665 /nfs/dbraw/zinc/70/86/65/933708665.db2.gz KKFWCJMHJXMLCL-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCC2CCCCC2)C1 ZINC001318366874 933713388 /nfs/dbraw/zinc/71/33/88/933713388.db2.gz IUZFWVBENNOQAZ-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)CCCC)C1 ZINC001318389662 933713604 /nfs/dbraw/zinc/71/36/04/933713604.db2.gz QPEKTYZYBGNKEL-GJZGRUSLSA-N 1 1 266.429 3.064 20 30 CGEDMO C=CC(C)(C)CC(=O)N(C)[C@@H]1CC[N@H+](C[C@H](C)CC)C1 ZINC001318406938 933722363 /nfs/dbraw/zinc/72/23/63/933722363.db2.gz LHOVMQJNUUKSFT-HUUCEWRRSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC(C)(C)C(=O)N(C)[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001318421966 933724818 /nfs/dbraw/zinc/72/48/18/933724818.db2.gz HAOVFZJLGQZBPW-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)CC(C)C)C1 ZINC001318443223 933725958 /nfs/dbraw/zinc/72/59/58/933725958.db2.gz UDFRNNOMZMYATQ-HNNXBMFYSA-N 1 1 280.456 3.168 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](CC)CCCCC)C1 ZINC001318445093 933727609 /nfs/dbraw/zinc/72/76/09/933727609.db2.gz JNROTXGFBKAJSL-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO COc1cccc(N[NH+]=Cc2ccc(N)c(Cl)c2)c1 ZINC001319445803 933877664 /nfs/dbraw/zinc/87/76/64/933877664.db2.gz DMFHAXZJMZEZTD-UHFFFAOYSA-N 1 1 275.739 3.377 20 30 CGEDMO CS[C@@H]1CC[C@H]([N@@H+](C)CC#Cc2ccc(F)cc2)C1 ZINC001319462783 933881427 /nfs/dbraw/zinc/88/14/27/933881427.db2.gz LZFJEAKTEFXLQR-JKSUJKDBSA-N 1 1 277.408 3.393 20 30 CGEDMO C=CCOc1cccc(CN[C@H]2CCCC[C@@H]2[NH+](C)C)c1 ZINC001319833019 933940195 /nfs/dbraw/zinc/94/01/95/933940195.db2.gz GZFAEYHOVAYLBE-ROUUACIJSA-N 1 1 288.435 3.214 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCC1CCN(C(=O)C2CCC2)CC1 ZINC001319868751 933948397 /nfs/dbraw/zinc/94/83/97/933948397.db2.gz MZUDTDDXXZZNQT-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC(=O)N(C)CC[N@@H+](C)[C@H](C)c1ccccc1F ZINC001319981848 933971411 /nfs/dbraw/zinc/97/14/11/933971411.db2.gz UJWKNZYIPHBPKC-CQSZACIVSA-N 1 1 292.398 3.243 20 30 CGEDMO C=CCCC(=O)N(C)CC[N@H+](C)[C@H](C)c1ccccc1F ZINC001319981848 933971418 /nfs/dbraw/zinc/97/14/18/933971418.db2.gz UJWKNZYIPHBPKC-CQSZACIVSA-N 1 1 292.398 3.243 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2nc(C(C)(C)C)cs2)C1 ZINC001320039198 933986513 /nfs/dbraw/zinc/98/65/13/933986513.db2.gz INEWXWNGDCTYQZ-GFCCVEGCSA-N 1 1 280.437 3.218 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2nc(C(C)(C)C)cs2)C1 ZINC001320039198 933986519 /nfs/dbraw/zinc/98/65/19/933986519.db2.gz INEWXWNGDCTYQZ-GFCCVEGCSA-N 1 1 280.437 3.218 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC001320086645 933994959 /nfs/dbraw/zinc/99/49/59/933994959.db2.gz NSJKSAYRQYYUBE-INIZCTEOSA-N 1 1 287.403 3.177 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CC(CC)CC)C1 ZINC001320097484 933999437 /nfs/dbraw/zinc/99/94/37/933999437.db2.gz MKHFAVBNLDMQNI-IRXDYDNUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCC(=C)C)C1 ZINC001320110033 934001784 /nfs/dbraw/zinc/00/17/84/934001784.db2.gz DQPREALBZKIMFS-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cc(-c3ccc(C)cc3)no2)C1 ZINC001320161389 934011229 /nfs/dbraw/zinc/01/12/29/934011229.db2.gz XVYVMMQJVWUNOM-MRXNPFEDSA-N 1 1 298.386 3.427 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+]([C@@H]2CCc3c2cccc3F)C1 ZINC001320173594 934012957 /nfs/dbraw/zinc/01/29/57/934012957.db2.gz YSEVEJNGHUACQT-HZPDHXFCSA-N 1 1 258.340 3.439 20 30 CGEDMO C[C@]1(C#N)CCC[N@H+]([C@@H]2CCc3c2cccc3F)C1 ZINC001320173594 934012960 /nfs/dbraw/zinc/01/29/60/934012960.db2.gz YSEVEJNGHUACQT-HZPDHXFCSA-N 1 1 258.340 3.439 20 30 CGEDMO C=CC[NH+](CC=C)[C@H](CNCc1ncccc1C)C(C)C ZINC001320263658 934024053 /nfs/dbraw/zinc/02/40/53/934024053.db2.gz UZPODFDOGZCFPU-GOSISDBHSA-N 1 1 287.451 3.178 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OCC)c(OCC)c1)CC1CC1 ZINC001320521792 934058704 /nfs/dbraw/zinc/05/87/04/934058704.db2.gz CECXANMQNVEZKQ-UHFFFAOYSA-N 1 1 287.403 3.329 20 30 CGEDMO C=CCC1(CNC(=O)NCC[N@H+](CC)CCC)CCCC1 ZINC001469140941 937735460 /nfs/dbraw/zinc/73/54/60/937735460.db2.gz VOGMSPRCXRLPAF-UHFFFAOYSA-N 1 1 295.471 3.154 20 30 CGEDMO C=CC[C@@H]([NH2+]C1CCC(CC)CC1)C(=O)OCC ZINC001320906245 934120785 /nfs/dbraw/zinc/12/07/85/934120785.db2.gz MWZAHRIKIWNVNO-JXQTWKCFSA-N 1 1 253.386 3.053 20 30 CGEDMO C=CCC(C)(C)CNC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC001470071633 937747939 /nfs/dbraw/zinc/74/79/39/937747939.db2.gz RYNQESCTJKASOI-CQSZACIVSA-N 1 1 295.471 3.008 20 30 CGEDMO C=CCCCCCCCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC001470384013 937752103 /nfs/dbraw/zinc/75/21/03/937752103.db2.gz DIINUKCQGVBXBD-CVEARBPZSA-N 1 1 295.471 3.295 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H](C)C[N@@H+](C)CC1CC(C)(C)C1 ZINC001322223599 934260292 /nfs/dbraw/zinc/26/02/92/934260292.db2.gz LSQJZSUQXDXWNI-HUUCEWRRSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)C(C)(C)CC(C)C ZINC001322272864 934267036 /nfs/dbraw/zinc/26/70/36/934267036.db2.gz BTTUDNURAULLBC-HNNXBMFYSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CC[N@H+]1CCC1CCCCC1 ZINC001323199234 934372628 /nfs/dbraw/zinc/37/26/28/934372628.db2.gz ORYBNKLOKKKALD-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]1CNC(=O)C12CCC(CC1)CC2 ZINC001323354866 934387904 /nfs/dbraw/zinc/38/79/04/934387904.db2.gz CKAOTIDCHFGVOK-UPTPFMHGSA-N 1 1 290.451 3.114 20 30 CGEDMO C#CC[N@H+](CCNC(=O)c1ccccc1)C1CCCCCC1 ZINC001323704294 934420232 /nfs/dbraw/zinc/42/02/32/934420232.db2.gz CMUIZWWASXOLJS-UHFFFAOYSA-N 1 1 298.430 3.074 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)CCCC)C2)C1 ZINC001323802763 934427602 /nfs/dbraw/zinc/42/76/02/934427602.db2.gz ZORRYDDLOLDAGT-KRWDZBQOSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCCC)C2)C1 ZINC001323802764 934428046 /nfs/dbraw/zinc/42/80/46/934428046.db2.gz ZORRYDDLOLDAGT-QGZVFWFLSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)c3ccccc3)C2)C1 ZINC001323835819 934429250 /nfs/dbraw/zinc/42/92/50/934429250.db2.gz NDWDCHQLPSGJLE-LJQANCHMSA-N 1 1 298.430 3.191 20 30 CGEDMO C=CCCCC(=O)N1CC[C@]2(CC[N@H+](CC[C@@H](C)F)C2)C1 ZINC001323860765 934433033 /nfs/dbraw/zinc/43/30/33/934433033.db2.gz VMVJZFPZXONMSI-WBVHZDCISA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N(C)C1C[NH+](CC/C=C\CC)C1 ZINC001323965108 934442815 /nfs/dbraw/zinc/44/28/15/934442815.db2.gz YHDGSCWHAMMBHS-HJWRWDBZSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)C[C@H]2C=CCCC2)C1 ZINC001324630294 934535877 /nfs/dbraw/zinc/53/58/77/934535877.db2.gz VLRIOELHZHAURU-FUHWJXTLSA-N 1 1 290.451 3.280 20 30 CGEDMO CC#CCCCC(=O)N[C@]1(C)CC[N@@H+](CCCC(C)C)C1 ZINC001324641966 934536995 /nfs/dbraw/zinc/53/69/95/934536995.db2.gz PZMKSCUVOAWQJR-GOSISDBHSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(Cl)CN1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001473281861 937799833 /nfs/dbraw/zinc/79/98/33/937799833.db2.gz CPMXPXIZLXLRBB-GJZGRUSLSA-N 1 1 278.827 3.334 20 30 CGEDMO N#Cc1ccc(C[N@@H+](C[C@H]2CC[C@H](C3CC3)O2)C2CC2)cc1 ZINC001473304934 937801359 /nfs/dbraw/zinc/80/13/59/937801359.db2.gz TYHYNDMFDDCIMP-RTBURBONSA-N 1 1 296.414 3.480 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)/C=C(\C)CC)C1 ZINC001324937623 934874157 /nfs/dbraw/zinc/87/41/57/934874157.db2.gz YIXJKHFNBJGFIU-LRFDDAOPSA-N 1 1 298.858 3.314 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)/C=C(\C)CC)C1 ZINC001324937623 934874164 /nfs/dbraw/zinc/87/41/64/934874164.db2.gz YIXJKHFNBJGFIU-LRFDDAOPSA-N 1 1 298.858 3.314 20 30 CGEDMO C#CC[N@@H+](CCOc1cccc2ccccc21)C1CC1 ZINC001473482702 937808726 /nfs/dbraw/zinc/80/87/26/937808726.db2.gz XTTLQXCFCYIWRE-UHFFFAOYSA-N 1 1 265.356 3.316 20 30 CGEDMO Cc1[nH+]ccn1CCCSCc1ccccc1C#N ZINC001325681993 934923553 /nfs/dbraw/zinc/92/35/53/934923553.db2.gz RTGRCCGKLAHMIG-UHFFFAOYSA-N 1 1 271.389 3.387 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)CC(C)=C(C)C)C[C@H]2C1 ZINC001325753150 934927626 /nfs/dbraw/zinc/92/76/26/934927626.db2.gz XXCJNEXTOPZVEM-CALCHBBNSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CC1(C)C ZINC001325883048 934937344 /nfs/dbraw/zinc/93/73/44/934937344.db2.gz QJOBRDNWISRAFQ-OWCLPIDISA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@H](F)CC ZINC001325895188 934937919 /nfs/dbraw/zinc/93/79/19/934937919.db2.gz DHAMHKULPPOMBQ-OAGGEKHMSA-N 1 1 296.430 3.156 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]2C[N@H+](CCCCCC)C[C@H]21 ZINC001325932669 934940932 /nfs/dbraw/zinc/94/09/32/934940932.db2.gz UDRXGQBHHMKEFN-DLBZAZTESA-N 1 1 292.467 3.456 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)cc1 ZINC001326021427 934944411 /nfs/dbraw/zinc/94/44/11/934944411.db2.gz IVQGBCFXPRNCGM-UHFFFAOYSA-N 1 1 289.378 3.421 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)/C=C(\C)C2CC2)CC1 ZINC001327100032 935029200 /nfs/dbraw/zinc/02/92/00/935029200.db2.gz QRVYTMNLZYPSMT-ZWKQNVPVSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C)SC)CC1 ZINC001327111860 935030603 /nfs/dbraw/zinc/03/06/03/935030603.db2.gz HVWOGBVEJRWVLK-CABCVRRESA-N 1 1 298.496 3.065 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)c1ccc2[nH]ccc2c1 ZINC001327251801 935047740 /nfs/dbraw/zinc/04/77/40/935047740.db2.gz LZRJUQHKHOUMKT-UHFFFAOYSA-N 1 1 299.418 3.138 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)[C@H]1CC12CCCC2 ZINC001327277529 935051280 /nfs/dbraw/zinc/05/12/80/935051280.db2.gz SJRHXAIBAYBRAQ-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)C3(C)CCCC3)cc2C1 ZINC001327696401 935078373 /nfs/dbraw/zinc/07/83/73/935078373.db2.gz RBXNTTDHYQNDTQ-UHFFFAOYSA-N 1 1 298.430 3.385 20 30 CGEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)C3(C)CCCC3)cc2C1 ZINC001327696401 935078379 /nfs/dbraw/zinc/07/83/79/935078379.db2.gz RBXNTTDHYQNDTQ-UHFFFAOYSA-N 1 1 298.430 3.385 20 30 CGEDMO N#CCCC[C@@H]([NH3+])c1nc([C@H]2CCCc3ccccc32)no1 ZINC001328026195 935110680 /nfs/dbraw/zinc/11/06/80/935110680.db2.gz XLRSXDJZZQXAGW-LSDHHAIUSA-N 1 1 296.374 3.231 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C=C)C(C)(C)C1 ZINC001328103042 935117296 /nfs/dbraw/zinc/11/72/96/935117296.db2.gz QPWOBTPRSQQFMN-HNNXBMFYSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2cccc3c[nH]nc32)C1 ZINC001328264558 935126939 /nfs/dbraw/zinc/12/69/39/935126939.db2.gz PXXLOYFMMFJMKH-CYBMUJFWSA-N 1 1 255.365 3.351 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@@H+](CC2CC(C)(C)C2)[C@H](C)C1 ZINC001328241516 935127235 /nfs/dbraw/zinc/12/72/35/935127235.db2.gz KDGMNTNRGYEIQV-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO CCCC[N@@H+](CC)CC1CCN(C(=O)C#CC(C)C)CC1 ZINC001328573902 935149469 /nfs/dbraw/zinc/14/94/69/935149469.db2.gz LBLXQWCDNFXVEV-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)C1CCCC1 ZINC001328703298 935160690 /nfs/dbraw/zinc/16/06/90/935160690.db2.gz LPVNSWQRFWWPIF-DOTOQJQBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)C1CCCC1 ZINC001328703299 935161447 /nfs/dbraw/zinc/16/14/47/935161447.db2.gz LPVNSWQRFWWPIF-NVXWUHKLSA-N 1 1 292.467 3.454 20 30 CGEDMO CC#CCCCC(=O)N1CCC[C@@H]1C[N@H+](C)C[C@@H](C)CC ZINC001328752486 935166212 /nfs/dbraw/zinc/16/62/12/935166212.db2.gz IIJXPEQTNGPBGY-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1sccc1C ZINC001329369510 935209828 /nfs/dbraw/zinc/20/98/28/935209828.db2.gz CKOKEDHAKVSIDH-KBPBESRZSA-N 1 1 294.464 3.461 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)C(C)(C)C ZINC001329474171 935219260 /nfs/dbraw/zinc/21/92/60/935219260.db2.gz IIWVBRUMISPMPG-UONOGXRCSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)CNC(=O)c1cc(C)c(Cl)cc1C ZINC001329501111 935220981 /nfs/dbraw/zinc/22/09/81/935220981.db2.gz OKWCZTSYVDXWAH-ZDUSSCGKSA-N 1 1 294.826 3.193 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C1CC2(CCC2)C1 ZINC001329519534 935223586 /nfs/dbraw/zinc/22/35/86/935223586.db2.gz ZAKCVONBFNZZSC-CABCVRRESA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCCCC[N@@H+]1C[C@H](C)CC ZINC001329909040 935253553 /nfs/dbraw/zinc/25/35/53/935253553.db2.gz OQIZGMONLONPQB-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC(CC=C)C(=O)NC[C@H]1CCCCC[N@@H+]1CC ZINC001329923591 935255129 /nfs/dbraw/zinc/25/51/29/935255129.db2.gz MPMXETBFYSSGQM-MRXNPFEDSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H]2C[N@H+](C(C)C)C[C@H]2C1 ZINC001330465673 935289641 /nfs/dbraw/zinc/28/96/41/935289641.db2.gz FCNVSKMVLITZMV-ARFHVFGLSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H]2C[N@H+](C(C)C)C[C@@H]2C1 ZINC001330465675 935290097 /nfs/dbraw/zinc/29/00/97/935290097.db2.gz FCNVSKMVLITZMV-HRCADAONSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CCCC(=O)N1CC2(C1)CCC[N@H+](CCCC(C)C)C2 ZINC001330489251 935290641 /nfs/dbraw/zinc/29/06/41/935290641.db2.gz SCRFXMPQVDLPMA-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+](C)C1CCN(C(=O)c2ccsc2)CC1 ZINC001330999317 935340081 /nfs/dbraw/zinc/34/00/81/935340081.db2.gz BIALMYDMIRTTTJ-UHFFFAOYSA-N 1 1 292.448 3.251 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC001331335033 935370183 /nfs/dbraw/zinc/37/01/83/935370183.db2.gz SAIKHJLCYDTEDR-HNNXBMFYSA-N 1 1 262.397 3.127 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)C[C@H](C)c1ccco1)C(C)C ZINC001332736073 935486145 /nfs/dbraw/zinc/48/61/45/935486145.db2.gz VLFZLNXGKRWZIH-HNNXBMFYSA-N 1 1 292.423 3.128 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)C(C)(C)CCC)CC1 ZINC001333390983 935532734 /nfs/dbraw/zinc/53/27/34/935532734.db2.gz MMSNXSOBODJOMW-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C[C@H]1CC[C@@](CO)([N@@H+](C)CCCCC2(C#N)CCC2)C1 ZINC001334110348 936085520 /nfs/dbraw/zinc/08/55/20/936085520.db2.gz HDFXIPRURQADGK-DOTOQJQBSA-N 1 1 278.440 3.333 20 30 CGEDMO CC[N@@H+](Cc1cncc(C#N)c1)[C@H]1CCCC[C@@H]1C ZINC001335885025 936165659 /nfs/dbraw/zinc/16/56/59/936165659.db2.gz PGNBGASHDSJEAV-BBRMVZONSA-N 1 1 257.381 3.354 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@](CO)(C(C)C)C1 ZINC001336001689 936171207 /nfs/dbraw/zinc/17/12/07/936171207.db2.gz JRRQIHNBFZNMLG-SFHVURJKSA-N 1 1 286.419 3.016 20 30 CGEDMO C#CC[N@@H+](Cc1cc2ccccc2nc1OC)CC1CC1 ZINC001337065453 936234693 /nfs/dbraw/zinc/23/46/93/936234693.db2.gz PYYMJBIFRNDAMN-UHFFFAOYSA-N 1 1 280.371 3.089 20 30 CGEDMO C#CC[N@H+](Cc1cc2ccccc2nc1OC)CC1CC1 ZINC001337065453 936234696 /nfs/dbraw/zinc/23/46/96/936234696.db2.gz PYYMJBIFRNDAMN-UHFFFAOYSA-N 1 1 280.371 3.089 20 30 CGEDMO CC(C)CNN=C1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001337118800 936237971 /nfs/dbraw/zinc/23/79/71/936237971.db2.gz WANBVHHRWHNGTL-OAHLLOKOSA-N 1 1 273.424 3.273 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccccc2Br)C1 ZINC001337720589 936283092 /nfs/dbraw/zinc/28/30/92/936283092.db2.gz FGMDLLUTGGSZNW-ZDUSSCGKSA-N 1 1 296.208 3.226 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC001337727825 936284381 /nfs/dbraw/zinc/28/43/81/936284381.db2.gz JAQUFKMSCFLVRD-MRXNPFEDSA-N 1 1 268.360 3.012 20 30 CGEDMO C=CCCC[N@H+](CC)C[C@@H]1COC2(CCCCC2)O1 ZINC001473861633 937825536 /nfs/dbraw/zinc/82/55/36/937825536.db2.gz FJTWLHAAEXPDLR-OAHLLOKOSA-N 1 1 267.413 3.350 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1ccc(-n2ccnc2)cc1C ZINC001473865513 937826237 /nfs/dbraw/zinc/82/62/37/937826237.db2.gz VFXAWZRDSOEMRQ-INIZCTEOSA-N 1 1 267.376 3.331 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CCCN(c2ccccc2OC)CC1 ZINC001473878644 937826674 /nfs/dbraw/zinc/82/66/74/937826674.db2.gz VGKAUDLBPULZRZ-INIZCTEOSA-N 1 1 286.419 3.009 20 30 CGEDMO N#Cc1csc(C[NH2+]Cc2cccc3ccoc32)n1 ZINC001474281549 937848128 /nfs/dbraw/zinc/84/81/28/937848128.db2.gz NAGJSHSOXVMSRB-UHFFFAOYSA-N 1 1 269.329 3.051 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)CCc2ccc(C)c(C)c2)n1 ZINC001474488940 937862818 /nfs/dbraw/zinc/86/28/18/937862818.db2.gz PLCSYPYCRSMBGX-UHFFFAOYSA-N 1 1 295.430 3.198 20 30 CGEDMO CCCCCCCCNC(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC001477295850 937894216 /nfs/dbraw/zinc/89/42/16/937894216.db2.gz WCQJWVRJERPKFE-INIZCTEOSA-N 1 1 297.487 3.378 20 30 CGEDMO CCCCCCCCCN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001479378607 937920479 /nfs/dbraw/zinc/92/04/79/937920479.db2.gz ZETLYVXYRMROPW-HZPDHXFCSA-N 1 1 297.487 3.471 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCCNC(=O)c1cc(C)cc(C)c1 ZINC001479810393 937926365 /nfs/dbraw/zinc/92/63/65/937926365.db2.gz VKIHZCYAVHDPIN-UHFFFAOYSA-N 1 1 288.435 3.321 20 30 CGEDMO C=CC[N@@H+](CC)CCCNC(=O)c1ccc(Cl)cc1C ZINC001479853231 937927280 /nfs/dbraw/zinc/92/72/80/937927280.db2.gz GUJKCMAADLSEOR-UHFFFAOYSA-N 1 1 294.826 3.276 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C=C(CC)CC)C1 ZINC001479901130 937928575 /nfs/dbraw/zinc/92/85/75/937928575.db2.gz KPJRNESAUULAAN-INIZCTEOSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001479904748 937928859 /nfs/dbraw/zinc/92/88/59/937928859.db2.gz UUPSVOSEYHIPSP-QGZVFWFLSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CCCC(C)C)C1 ZINC001479908263 937928956 /nfs/dbraw/zinc/92/89/56/937928956.db2.gz PHZBZCZYBLQWPX-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001479965395 937930374 /nfs/dbraw/zinc/93/03/74/937930374.db2.gz VWKMCBWRFBROOS-CQSZACIVSA-N 1 1 292.448 3.041 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]2C[N@@H+](CCCCC)CC[C@H]21 ZINC001480186603 937934114 /nfs/dbraw/zinc/93/41/14/937934114.db2.gz NZIDVPVYZRGWNM-DLBZAZTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2CC=CC2)C1 ZINC001480379734 937937581 /nfs/dbraw/zinc/93/75/81/937937581.db2.gz ZKTYHCVVSJYQMU-RDJZCZTQSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001480831224 937945263 /nfs/dbraw/zinc/94/52/63/937945263.db2.gz XMSUULCUVKUGKP-BRWVUGGUSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H]1CNC(=O)C1CC2(CCC2)C1 ZINC001493130461 937948010 /nfs/dbraw/zinc/94/80/10/937948010.db2.gz QBASRKUBDOKWEE-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=Cc1ccc(C(=O)NCC[N@H+](CCC)CC(=C)C)cc1 ZINC001493332536 937949664 /nfs/dbraw/zinc/94/96/64/937949664.db2.gz YXUPCDZDOFEFSW-UHFFFAOYSA-N 1 1 286.419 3.348 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC=C(C)C ZINC001493920332 937952054 /nfs/dbraw/zinc/95/20/54/937952054.db2.gz ALGMKJQYTZRNGC-YESZJQIVSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C(C)CCC(=O)N(CCC)[C@@H]1CC[N@@H+](CCC)C1 ZINC001493955353 937952382 /nfs/dbraw/zinc/95/23/82/937952382.db2.gz IAJSYEXAKJIOTQ-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO CCCN(C(=O)C#CC(C)(C)C)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001493953046 937952485 /nfs/dbraw/zinc/95/24/85/937952485.db2.gz XXFQOMCKTOPVGC-MRXNPFEDSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)C2(F)CCCC2)C1 ZINC001494030008 937953057 /nfs/dbraw/zinc/95/30/57/937953057.db2.gz LMJFFFKLCGGQKM-OAHLLOKOSA-N 1 1 296.430 3.063 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](CCNC(=O)C2(C)CC=CC2)C1 ZINC001494048884 937953211 /nfs/dbraw/zinc/95/32/11/937953211.db2.gz SBDNDXBGPZCXCP-INIZCTEOSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](CCNC(=O)C2(C)CCC(C)CC2)C1 ZINC001494083313 937953538 /nfs/dbraw/zinc/95/35/38/937953538.db2.gz OOIHRWHCIQJRCI-PQUAAJSLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[C@@H](C[N@H+](C)CCCC)C1 ZINC001494154234 937953542 /nfs/dbraw/zinc/95/35/42/937953542.db2.gz MTQHIEADCRQDRX-CVEARBPZSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@](C)(CC)CCC)C1 ZINC001494165598 937953697 /nfs/dbraw/zinc/95/36/97/937953697.db2.gz FMOIUPVIVQVINP-WBVHZDCISA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H](NC(=O)c2cccc(C3CC3)c2)C1 ZINC001494737636 937955870 /nfs/dbraw/zinc/95/58/70/937955870.db2.gz NWMLDXPJSAYZHS-SFHVURJKSA-N 1 1 298.430 3.334 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)C2=CCCC2)C1 ZINC001494813158 937956171 /nfs/dbraw/zinc/95/61/71/937956171.db2.gz NMMNHXMVSYGQSV-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)[C@H]1CCC[C@H]1CCC ZINC001496734468 937964060 /nfs/dbraw/zinc/96/40/60/937964060.db2.gz SRPLPEXJFXEXLG-CVEARBPZSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)C1(C)C(C)(C)C1(C)C ZINC001498470294 937969956 /nfs/dbraw/zinc/96/99/56/937969956.db2.gz PEXWNAXHYTZZTR-CQSZACIVSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]1CNC(=O)CCCC1CCCC1 ZINC001499132483 937972365 /nfs/dbraw/zinc/97/23/65/937972365.db2.gz RTYJAGHMHABYEN-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]1CNC(=O)c1cc2ccccc2o1 ZINC001499112214 937972503 /nfs/dbraw/zinc/97/25/03/937972503.db2.gz NDBXDWXLSWGUBX-OAHLLOKOSA-N 1 1 298.386 3.203 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](C)CCC)C1 ZINC001500485252 937977670 /nfs/dbraw/zinc/97/76/70/937977670.db2.gz JMMBUUIDDHALLU-NVXWUHKLSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@](C)(F)CCCC)CC1 ZINC001502127989 937981206 /nfs/dbraw/zinc/98/12/06/937981206.db2.gz ZBIVMCQWFAVRDS-WBVHZDCISA-N 1 1 298.446 3.452 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](CC)C(C)C)CC1 ZINC001502142804 937981721 /nfs/dbraw/zinc/98/17/21/937981721.db2.gz JZBGVHYHEVYHCN-JKSUJKDBSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)c1ccc(Cl)[nH]1 ZINC001502371712 937982094 /nfs/dbraw/zinc/98/20/94/937982094.db2.gz VXSXWWZXZGIIKP-UHFFFAOYSA-N 1 1 297.830 3.028 20 30 CGEDMO C=CCCC(=O)N1CCC[C@]2(CC[N@H+](CCCC)C2)C1 ZINC001502542144 937982801 /nfs/dbraw/zinc/98/28/01/937982801.db2.gz ZROOXROWKOATPI-QGZVFWFLSA-N 1 1 278.440 3.067 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)/C=C\C(C)(C)C)C[C@H]1C ZINC001502907186 937983602 /nfs/dbraw/zinc/98/36/02/937983602.db2.gz UWOSSTVHCIITKE-APMKWMSLSA-N 1 1 298.858 3.310 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)/C=C\C(C)(C)C)C[C@H]1C ZINC001502907186 937983603 /nfs/dbraw/zinc/98/36/03/937983603.db2.gz UWOSSTVHCIITKE-APMKWMSLSA-N 1 1 298.858 3.310 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)[C@H](C)C1 ZINC001502906869 937983688 /nfs/dbraw/zinc/98/36/88/937983688.db2.gz RXMBJCKPCQASBO-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)/C(C)=C\CC)C[C@H]1C ZINC001502905381 937983708 /nfs/dbraw/zinc/98/37/08/937983708.db2.gz ASNVQFAHXHFILS-BRAFPAACSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)(C)C(=C)C)C[C@H]1C ZINC001502967930 937984035 /nfs/dbraw/zinc/98/40/35/937984035.db2.gz KPZPKTKWUDPFMV-KGLIPLIRSA-N 1 1 298.858 3.310 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C(=C)C)C[C@H]1C ZINC001502967930 937984036 /nfs/dbraw/zinc/98/40/36/937984036.db2.gz KPZPKTKWUDPFMV-KGLIPLIRSA-N 1 1 298.858 3.310 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC(C)=C(C)C)C[C@H]1C ZINC001502968044 937984115 /nfs/dbraw/zinc/98/41/15/937984115.db2.gz KRQMKXGXBKVBNN-HUUCEWRRSA-N 1 1 298.858 3.454 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC(C)=C(C)C)C[C@H]1C ZINC001502968044 937984116 /nfs/dbraw/zinc/98/41/16/937984116.db2.gz KRQMKXGXBKVBNN-HUUCEWRRSA-N 1 1 298.858 3.454 20 30 CGEDMO CC[C@H](C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C#CC(C)(C)C ZINC001505430056 937985230 /nfs/dbraw/zinc/98/52/30/937985230.db2.gz YXTLRBODWAJJJD-HOTGVXAUSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]1C[N@H+](C)CC[C@H](C)F ZINC001505444026 937985390 /nfs/dbraw/zinc/98/53/90/937985390.db2.gz VLLRGXMDOMGSPS-LSDHHAIUSA-N 1 1 284.419 3.014 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)CCCC#CC ZINC001505442623 937985555 /nfs/dbraw/zinc/98/55/55/937985555.db2.gz ZTAFXUCBZANEGD-QGZVFWFLSA-N 1 1 290.451 3.069 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)CC ZINC001505443024 937985582 /nfs/dbraw/zinc/98/55/82/937985582.db2.gz CLAFIDDXNJJPGX-ZDUSSCGKSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)CC ZINC001505443024 937985583 /nfs/dbraw/zinc/98/55/83/937985583.db2.gz CLAFIDDXNJJPGX-ZDUSSCGKSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C/C(C)=C/CC(=O)N1CCC[C@@H]1C[N@H+](C)CC(=C)C ZINC001505441424 937985601 /nfs/dbraw/zinc/98/56/01/937985601.db2.gz CYMUCGWISMNQSH-HTRKUNOGSA-N 1 1 276.424 3.008 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]([C@H]2CC[N@H+](CC(=C)C)C2)C1 ZINC001505471865 937985813 /nfs/dbraw/zinc/98/58/13/937985813.db2.gz CKFSTTYOAUNNAE-SJORKVTESA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001505925776 937988083 /nfs/dbraw/zinc/98/80/83/937988083.db2.gz ZZECAVPBPTUSOP-CVEARBPZSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)c1c(C)cc(F)cc1C ZINC001505976856 937988422 /nfs/dbraw/zinc/98/84/22/937988422.db2.gz UAOZHVLVYVORLA-CQSZACIVSA-N 1 1 292.398 3.069 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)c1ccc(C(C)C)cc1 ZINC001506044692 937988838 /nfs/dbraw/zinc/98/88/38/937988838.db2.gz GEZPSADVGKEKGN-OAHLLOKOSA-N 1 1 288.435 3.436 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@](C)(CC)CCC)[C@@H]2C1 ZINC001506823070 937992003 /nfs/dbraw/zinc/99/20/03/937992003.db2.gz YPRLRDMRQUBOMN-CUSZFKRNSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)CC(C)=C(C)C)CCC[C@H]12 ZINC001507346982 937995160 /nfs/dbraw/zinc/99/51/60/937995160.db2.gz GBJWDEJFYMJITG-FUHWJXTLSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C(=O)CC(C)C)C(C)C ZINC001507745176 937996603 /nfs/dbraw/zinc/99/66/03/937996603.db2.gz NBMZVHJJVKANLV-UHFFFAOYSA-N 1 1 268.445 3.168 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)[C@@H](C)C2CC2)CC1 ZINC001508199656 937998584 /nfs/dbraw/zinc/99/85/84/937998584.db2.gz IJYMDAABMKUOGE-GJZGRUSLSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC(C)(C)CC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001542318323 938135601 /nfs/dbraw/zinc/13/56/01/938135601.db2.gz SWOKWGRTKQXMMR-GASCZTMLSA-N 1 1 294.483 3.461 20 30 CGEDMO COCC#CCS[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001559429050 938226461 /nfs/dbraw/zinc/22/64/61/938226461.db2.gz FUYJXXQJBIIYCM-KRWDZBQOSA-N 1 1 289.444 3.034 20 30 CGEDMO C#CC[N@H+](C[C@@H]1CC(C)(C)CO1)[C@@H]1CCc2ccccc21 ZINC001559499441 938227661 /nfs/dbraw/zinc/22/76/61/938227661.db2.gz UITPGBTWJJMBDD-FUHWJXTLSA-N 1 1 283.415 3.424 20 30 CGEDMO Cc1ccc(C[N@H+](C)CCN(C)c2ccccc2)cc1C#N ZINC001559529122 938228470 /nfs/dbraw/zinc/22/84/70/938228470.db2.gz DPZTZJFELUCRCQ-UHFFFAOYSA-N 1 1 293.414 3.435 20 30 CGEDMO CCC#C[C@H](C)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001559530513 938228504 /nfs/dbraw/zinc/22/85/04/938228504.db2.gz BRKIYRCEMKWUMY-KRWDZBQOSA-N 1 1 284.447 3.385 20 30 CGEDMO CCC#C[C@H](C)[N@@H+]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001559530513 938228505 /nfs/dbraw/zinc/22/85/05/938228505.db2.gz BRKIYRCEMKWUMY-KRWDZBQOSA-N 1 1 284.447 3.385 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001559530513 938228506 /nfs/dbraw/zinc/22/85/06/938228506.db2.gz BRKIYRCEMKWUMY-KRWDZBQOSA-N 1 1 284.447 3.385 20 30 CGEDMO C#CCCCCCC[N@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC001559779617 938235467 /nfs/dbraw/zinc/23/54/67/938235467.db2.gz CQHJESBORIRCNK-JKSUJKDBSA-N 1 1 251.414 3.053 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)Cc1sccc1Cl ZINC001559796608 938236062 /nfs/dbraw/zinc/23/60/62/938236062.db2.gz PUROXIFCJNCTNT-UHFFFAOYSA-N 1 1 272.845 3.341 20 30 CGEDMO C#C[C@H]1CCC[N@H+](CCc2c(F)cccc2Cl)C1 ZINC001559947621 938239706 /nfs/dbraw/zinc/23/97/06/938239706.db2.gz XSKZYJUEUBPQSA-LBPRGKRZSA-N 1 1 265.759 3.367 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](CC=C)C2)cc1 ZINC001559983504 938240810 /nfs/dbraw/zinc/24/08/10/938240810.db2.gz SQSJLFLQKNZTEU-QGZVFWFLSA-N 1 1 296.414 3.285 20 30 CGEDMO N#Cc1cccc([C@@H](O)C[N@H+]2CCC[C@H](C3CCC3)C2)c1 ZINC001560012252 938241618 /nfs/dbraw/zinc/24/16/18/938241618.db2.gz UNTYPXBMSFPDNE-ROUUACIJSA-N 1 1 284.403 3.104 20 30 CGEDMO CC#CC[NH2+][C@@H](C)c1cc(F)c(Br)cc1F ZINC001560008002 938241663 /nfs/dbraw/zinc/24/16/63/938241663.db2.gz AKJQOUDVRHJYNJ-QMMMGPOBSA-N 1 1 288.135 3.401 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001560027221 938242217 /nfs/dbraw/zinc/24/22/17/938242217.db2.gz WKEKLAZXFVAXSQ-HNNXBMFYSA-N 1 1 258.409 3.459 20 30 CGEDMO CO[C@@H]1CC[C@H](C)[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001560063804 938242856 /nfs/dbraw/zinc/24/28/56/938242856.db2.gz GVAIFAUOGOJGNJ-XJKSGUPXSA-N 1 1 277.795 3.191 20 30 CGEDMO C#CC[C@H]1CC[N@H+](CCCOc2c(C)cccc2C)C1 ZINC001560136215 938244768 /nfs/dbraw/zinc/24/47/68/938244768.db2.gz NXCLVBLAKVOERN-KRWDZBQOSA-N 1 1 271.404 3.418 20 30 CGEDMO C#CC[N@@H+](C[C@@H]1C[C@]12CCOC2)[C@@H]1CCCc2ccccc21 ZINC001560172528 938246236 /nfs/dbraw/zinc/24/62/36/938246236.db2.gz ZCWVWJUSWPHBKV-SXLOBPIMSA-N 1 1 295.426 3.426 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1C[C@@H](O)Cc1ccccc1 ZINC001560200482 938246862 /nfs/dbraw/zinc/24/68/62/938246862.db2.gz YJVKFDOLGRHPRI-IRXDYDNUSA-N 1 1 259.393 3.021 20 30 CGEDMO C=C(CC)C[N@H+]1CCCN(c2ccccc2OC)CC1 ZINC001560219684 938247498 /nfs/dbraw/zinc/24/74/98/938247498.db2.gz QBFWIQJKNDYKNI-UHFFFAOYSA-N 1 1 274.408 3.174 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(F)cc1)C[C@]12CCC[C@H]1OCC2 ZINC001560235169 938248571 /nfs/dbraw/zinc/24/85/71/938248571.db2.gz BIRLYJKONQSUDB-QZTJIDSGSA-N 1 1 287.378 3.068 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC001560901169 938282954 /nfs/dbraw/zinc/28/29/54/938282954.db2.gz MNBPBQMGMYLODC-HNNXBMFYSA-N 1 1 269.388 3.247 20 30 CGEDMO N#Cc1ccc2c(c1)CCN(c1cc(C3CC3)cc[nH+]1)C2 ZINC001164481675 958839428 /nfs/dbraw/zinc/83/94/28/958839428.db2.gz HYEWRNUAGBDTAG-UHFFFAOYSA-N 1 1 275.355 3.393 20 30 CGEDMO C#CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](CC)CC1CCCCC1 ZINC001570740674 960462454 /nfs/dbraw/zinc/46/24/54/960462454.db2.gz UHGFQTHDNGLAQR-RDJZCZTQSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[C@H]1CCCC[C@@H]1NC(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC001565063631 960582897 /nfs/dbraw/zinc/58/28/97/960582897.db2.gz QREWCZQLOQOUCW-PMPSAXMXSA-N 1 1 295.471 3.149 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)CC1(C=C)CCCCC1 ZINC001565828903 960833354 /nfs/dbraw/zinc/83/33/54/960833354.db2.gz TZRXVJHCNQIRPD-INIZCTEOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)CCCCC)[C@H]1C ZINC001566106005 960880791 /nfs/dbraw/zinc/88/07/91/960880791.db2.gz ZREJDPFXHSJVTL-XHSDSOJGSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](C)CC ZINC001566119423 960892586 /nfs/dbraw/zinc/89/25/86/960892586.db2.gz INOLEEDCTYDEDG-OCCSQVGLSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](C)CC ZINC001566119423 960892596 /nfs/dbraw/zinc/89/25/96/960892596.db2.gz INOLEEDCTYDEDG-OCCSQVGLSA-N 1 1 286.847 3.098 20 30 CGEDMO C=CC[N@H+](C)CCCNC(=O)C[C@H](C)CC(C)(C)C ZINC001566494217 960936974 /nfs/dbraw/zinc/93/69/74/960936974.db2.gz KXWJWVIYIZVANI-AWEZNQCLSA-N 1 1 268.445 3.073 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001566509987 960940803 /nfs/dbraw/zinc/94/08/03/960940803.db2.gz KNRZQIPHTREJBF-MQMHXKEQSA-N 1 1 286.847 3.003 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001566509987 960940824 /nfs/dbraw/zinc/94/08/24/960940824.db2.gz KNRZQIPHTREJBF-MQMHXKEQSA-N 1 1 286.847 3.003 20 30 CGEDMO C=CCC[N@@H+](CC)CCCNC(=O)c1sccc1C ZINC001566537916 960947934 /nfs/dbraw/zinc/94/79/34/960947934.db2.gz HRDPJEICABRRAC-UHFFFAOYSA-N 1 1 280.437 3.074 20 30 CGEDMO C=C(C)C[N@@H+](CCCNC(=O)C(C)(C)C1CCC1)C1CC1 ZINC001566592395 960964450 /nfs/dbraw/zinc/96/44/50/960964450.db2.gz RNXPOLMFQRVARK-UHFFFAOYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+](CCCNC(=O)[C@@H]1CC[C@@H](F)C1)C1CC1 ZINC001566595887 960965782 /nfs/dbraw/zinc/96/57/82/960965782.db2.gz OPPPOOSOACXOTI-HUUCEWRRSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)c2csc(C)c2C)C1 ZINC001566664370 960969255 /nfs/dbraw/zinc/96/92/55/960969255.db2.gz LRJOGEFANWLDMH-AWEZNQCLSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccsc2C)C1 ZINC001566663222 960969751 /nfs/dbraw/zinc/96/97/51/960969751.db2.gz NTBSQELAOAXUIU-GXTWGEPZSA-N 1 1 292.448 3.215 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H](NC(=O)c2ccoc2)C1 ZINC001566618530 960972219 /nfs/dbraw/zinc/97/22/19/960972219.db2.gz YQFRSWHHWYHFCC-MRXNPFEDSA-N 1 1 292.423 3.444 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)CCCC[C@@H](C)CC)C1 ZINC001566623565 960975311 /nfs/dbraw/zinc/97/53/11/960975311.db2.gz QMKFVAFGWFVLRJ-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(CC(C)C)CC(C)C)C1 ZINC001566682589 960988648 /nfs/dbraw/zinc/98/86/48/960988648.db2.gz FAUKEJDNIMWUSA-KRWDZBQOSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC[C@H](C[N@@H+](C)C(C)C)C1 ZINC001566741695 960999434 /nfs/dbraw/zinc/99/94/34/960999434.db2.gz HXIXKARONURSKU-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(CC)CC)C1 ZINC001566746930 961007403 /nfs/dbraw/zinc/00/74/03/961007403.db2.gz TUGAFNFFGXDUCH-INIZCTEOSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)/C(C)=C\C)C1 ZINC001566824814 961027888 /nfs/dbraw/zinc/02/78/88/961027888.db2.gz NCDGHNOWQVLXPR-XIENNYHASA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC001566865942 961037371 /nfs/dbraw/zinc/03/73/71/961037371.db2.gz MNWFLLMMXNBRNV-DLBZAZTESA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)C2(C)CCC(C)CC2)C1 ZINC001566882899 961053320 /nfs/dbraw/zinc/05/33/20/961053320.db2.gz XRBKMQREEVVIOF-UPTPFMHGSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)/C(C)=C/CC)C1 ZINC001567188538 961129065 /nfs/dbraw/zinc/12/90/65/961129065.db2.gz PDGLDVJZCYBKDZ-GMMCIKNFSA-N 1 1 284.831 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)/C(C)=C/CC)C1 ZINC001567188538 961129071 /nfs/dbraw/zinc/12/90/71/961129071.db2.gz PDGLDVJZCYBKDZ-GMMCIKNFSA-N 1 1 284.831 3.018 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)CC)C1 ZINC001567198949 961140142 /nfs/dbraw/zinc/14/01/42/961140142.db2.gz RFLKTTQZWOSZCA-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC(C)(C)C(=O)NCCC[C@@H]1CCC[N@H+]1CC1CC1 ZINC001567259792 961154240 /nfs/dbraw/zinc/15/42/40/961154240.db2.gz IWGIXDOCMVRMPJ-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[N@H+](C)[C@H](C)c1ccccc1C ZINC001567297533 961269218 /nfs/dbraw/zinc/26/92/18/961269218.db2.gz YBKLRQVKBJLAII-OAHLLOKOSA-N 1 1 288.435 3.316 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1CC[N@H+](CC(CC)CC)C1 ZINC001567403588 961316279 /nfs/dbraw/zinc/31/62/79/961316279.db2.gz RPHDBXSNLQDGOI-INIZCTEOSA-N 1 1 280.456 3.217 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H](CNC(=O)C[C@H](CC)CCCC)C1 ZINC001567406797 961319140 /nfs/dbraw/zinc/31/91/40/961319140.db2.gz XBVGWYVLNUFRTM-SJORKVTESA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](CNC(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001567415827 961320813 /nfs/dbraw/zinc/32/08/13/961320813.db2.gz OVSJIYQTXOKSCV-CVEARBPZSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CCCCC1 ZINC001567391466 961328811 /nfs/dbraw/zinc/32/88/11/961328811.db2.gz PMHFOBKFOUHTLQ-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC(CC=C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=C)C ZINC001567671746 961392137 /nfs/dbraw/zinc/39/21/37/961392137.db2.gz MQERBOFFOMIOCZ-CALCHBBNSA-N 1 1 288.435 3.006 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)[C@]2(C)C=CCC2)C1 ZINC001567706146 961407187 /nfs/dbraw/zinc/40/71/87/961407187.db2.gz WFTZRRWGZLJTBF-FUHWJXTLSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CCC(=O)NCC[C@H]1CC[N@H+](C[C@H](C)CC)C1 ZINC001567701184 961408737 /nfs/dbraw/zinc/40/87/37/961408737.db2.gz DOMNOZUPDXTDJI-CVEARBPZSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)C=C(CC)CC)C1 ZINC001567726787 961413237 /nfs/dbraw/zinc/41/32/37/961413237.db2.gz VZWURSTWCHWWMM-MRXNPFEDSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)c2ccc(C)o2)C1 ZINC001567770367 961421326 /nfs/dbraw/zinc/42/13/26/961421326.db2.gz BRRMGDMHRAWBKB-HIFRSBDPSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CCC[N@H+](CCCCCC)C1 ZINC001567760544 961430103 /nfs/dbraw/zinc/43/01/03/961430103.db2.gz VOCJHEWROMJWTQ-OAHLLOKOSA-N 1 1 266.429 3.114 20 30 CGEDMO C=CC(C)(C)C(=O)NC1C[NH+]([C@H]2CCCc3ccccc32)C1 ZINC001567802594 961434351 /nfs/dbraw/zinc/43/43/51/961434351.db2.gz POPIRQPBHDZWHQ-KRWDZBQOSA-N 1 1 298.430 3.077 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)c1c(C)cc(F)cc1C ZINC001568553946 961613093 /nfs/dbraw/zinc/61/30/93/961613093.db2.gz DLVZSEJZCARODI-UHFFFAOYSA-N 1 1 292.398 3.022 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)c1ccc(C)cc1Cl ZINC001569139695 961701935 /nfs/dbraw/zinc/70/19/35/961701935.db2.gz RSAXLESECMAJOJ-ZDUSSCGKSA-N 1 1 294.826 3.275 20 30 CGEDMO C=CCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2[C@H](C)CCC=C ZINC001569458389 961769459 /nfs/dbraw/zinc/76/94/59/961769459.db2.gz NDIGMQUNHZVQOQ-ZACQAIPSSA-N 1 1 290.451 3.373 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)/C=C(\C)CC ZINC001569446224 961769664 /nfs/dbraw/zinc/76/96/64/961769664.db2.gz HKXRAUFQOWKIJF-CRMBIJGISA-N 1 1 290.451 3.374 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C)CC)C2)C1 ZINC001569464119 961781800 /nfs/dbraw/zinc/78/18/00/961781800.db2.gz HSGIHTDHLVZEOT-FUHWJXTLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)CCCCCC)C1 ZINC001569653018 961814721 /nfs/dbraw/zinc/81/47/21/961814721.db2.gz DGCNBWBTMSVAIM-INIZCTEOSA-N 1 1 266.429 3.114 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](C)CC ZINC001569913147 961866499 /nfs/dbraw/zinc/86/64/99/961866499.db2.gz NXIVPSMVOIIKQN-BRWVUGGUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)CCC ZINC001569912110 961869665 /nfs/dbraw/zinc/86/96/65/961869665.db2.gz FBUGQQSIDCPKEG-HOTGVXAUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@H+](C)Cc1ccccc1CNC(=O)CCC(=C)C ZINC001570027174 961880311 /nfs/dbraw/zinc/88/03/11/961880311.db2.gz YTKWHVRYFPZJDZ-UHFFFAOYSA-N 1 1 286.419 3.277 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CCC[N@H+](CC[C@@H](C)F)CC1 ZINC001570177381 961911344 /nfs/dbraw/zinc/91/13/44/961911344.db2.gz KYBNPNURUYEJED-CABCVRRESA-N 1 1 284.419 3.062 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)CCCC)CC1 ZINC001570175041 961914781 /nfs/dbraw/zinc/91/47/81/961914781.db2.gz NWQUIIQVTQHYAY-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCN(C)C(=O)c1cccs1 ZINC001570189479 961929436 /nfs/dbraw/zinc/92/94/36/961929436.db2.gz YRABJZNXMVDXSM-CQSZACIVSA-N 1 1 294.464 3.497 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CC(C)=C(C)C)C[C@@H]1C ZINC001570440696 961969968 /nfs/dbraw/zinc/96/99/68/961969968.db2.gz NVSXOXMPJWZWES-HOTGVXAUSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@@H+](CC(=C)C)[C@@H](C)C1 ZINC001570438178 961970572 /nfs/dbraw/zinc/97/05/72/961970572.db2.gz WLUBJTPRIVUNCC-DOTOQJQBSA-N 1 1 290.451 3.300 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)CC(C)=C(C)C)C[C@@H]1C ZINC001570440698 961973059 /nfs/dbraw/zinc/97/30/59/961973059.db2.gz NVSXOXMPJWZWES-JKSUJKDBSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)C=C1CCC1 ZINC001570527364 961983447 /nfs/dbraw/zinc/98/34/47/961983447.db2.gz GCOYZUJNPYPBIU-WBVHZDCISA-N 1 1 290.451 3.374 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCC[C@H]1C[N@H+](C)CC(C)C ZINC001570533241 961986353 /nfs/dbraw/zinc/98/63/53/961986353.db2.gz XIVAWSWMFYJLNU-KRWDZBQOSA-N 1 1 292.467 3.334 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[C@H]1C[N@@H+](C)CC=C(C)C ZINC001570537714 961988745 /nfs/dbraw/zinc/98/87/45/961988745.db2.gz FYHPTDJQUMRMOE-SJORKVTESA-N 1 1 292.467 3.478 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@@H](C)[N@@H+](C)CC1CCCC1 ZINC001570729880 962053408 /nfs/dbraw/zinc/05/34/08/962053408.db2.gz GDDDISXFISWRBF-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)C[C@@H](C)c1ccco1 ZINC001570748089 962074246 /nfs/dbraw/zinc/07/42/46/962074246.db2.gz ROQWVXVYEMPZNA-HUUCEWRRSA-N 1 1 292.423 3.176 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](C)SC ZINC001570818659 962090607 /nfs/dbraw/zinc/09/06/07/962090607.db2.gz WXRWJMABUUNUAK-GJZGRUSLSA-N 1 1 298.496 3.065 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)CC(CC)CC)[C@@H]1C ZINC001571524838 962179264 /nfs/dbraw/zinc/17/92/64/962179264.db2.gz KQJYILAJIYAOCS-HOCLYGCPSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(Cl)CN1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC001574859807 962326377 /nfs/dbraw/zinc/32/63/77/962326377.db2.gz IZDYQRJYVMPZGJ-UKRRQHHQSA-N 1 1 270.848 3.359 20 30 CGEDMO C=C(CC)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001587521051 963201323 /nfs/dbraw/zinc/20/13/23/963201323.db2.gz XXGHODLHOSTUKV-KRWDZBQOSA-N 1 1 286.419 3.124 20 30 CGEDMO CC(C)[C@H]1c2ccccc2CC[N@@H+]1CCOCCC#N ZINC000590162342 346833430 /nfs/dbraw/zinc/83/34/30/346833430.db2.gz VVWUJUFPCUOAKO-KRWDZBQOSA-N 1 1 272.392 3.172 20 30 CGEDMO CC(C)(C#N)c1ccc(CNC(C)(C)C[NH+]2CCCC2)cc1 ZINC000590765765 346873286 /nfs/dbraw/zinc/87/32/86/346873286.db2.gz SXAIILIJLWCPTO-UHFFFAOYSA-N 1 1 299.462 3.452 20 30 CGEDMO Cc1nccc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)n1 ZINC000507251261 282182602 /nfs/dbraw/zinc/18/26/02/282182602.db2.gz GPAJPWHZYHTJMK-UHFFFAOYSA-N 1 1 280.375 3.067 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000591045373 346897398 /nfs/dbraw/zinc/89/73/98/346897398.db2.gz VCZYSTPGJFIBCS-MOPGFXCFSA-N 1 1 292.382 3.175 20 30 CGEDMO CCc1ccccc1[C@@H]([NH3+])CN[C@@H](C)c1ccc(C#N)cc1 ZINC000423507791 529611517 /nfs/dbraw/zinc/61/15/17/529611517.db2.gz QLKFCCYRMAWRQK-LIRRHRJNSA-N 1 1 293.414 3.471 20 30 CGEDMO CCC([NH3+])(CC)CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000591577702 346929878 /nfs/dbraw/zinc/92/98/78/346929878.db2.gz HQRJYXRAESWJLI-MRXNPFEDSA-N 1 1 271.408 3.043 20 30 CGEDMO Cc1ccc([C@@H](C)[NH2+]Cc2ccncc2C#N)cc1F ZINC000592097244 346962439 /nfs/dbraw/zinc/96/24/39/346962439.db2.gz IADWMVLNSJMOIO-GFCCVEGCSA-N 1 1 269.323 3.252 20 30 CGEDMO Cc1cccc([C@H]2CC[N@@H+](Cc3ccncc3C#N)C2)c1 ZINC000592101250 346962526 /nfs/dbraw/zinc/96/25/26/346962526.db2.gz PZEXPBOMIWRWEH-KRWDZBQOSA-N 1 1 277.371 3.251 20 30 CGEDMO COc1cncc(/C=C\CC[N@@H+](CCC#N)CC2CC2)c1 ZINC000592072143 346960641 /nfs/dbraw/zinc/96/06/41/346960641.db2.gz XKRSUFPRFLQATG-DJWKRKHSSA-N 1 1 285.391 3.119 20 30 CGEDMO CC(C)[N@@H+](CCCC#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000592154417 346967551 /nfs/dbraw/zinc/96/75/51/346967551.db2.gz QMDWGAHIAOZORF-GOSISDBHSA-N 1 1 285.435 3.275 20 30 CGEDMO CC(C)N(CCCC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000592154417 346967553 /nfs/dbraw/zinc/96/75/53/346967553.db2.gz QMDWGAHIAOZORF-GOSISDBHSA-N 1 1 285.435 3.275 20 30 CGEDMO CC(C)N(CCCC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000592154417 346967554 /nfs/dbraw/zinc/96/75/54/346967554.db2.gz QMDWGAHIAOZORF-GOSISDBHSA-N 1 1 285.435 3.275 20 30 CGEDMO C=CCOc1cccc(CNC[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000623654535 349856385 /nfs/dbraw/zinc/85/63/85/349856385.db2.gz BVMRKYJNBDFULG-QGZVFWFLSA-N 1 1 288.435 3.073 20 30 CGEDMO C=CCOc1cccc(CNC[C@H]2CCCC[N@H+](C)C2)c1 ZINC000623654535 349856388 /nfs/dbraw/zinc/85/63/88/349856388.db2.gz BVMRKYJNBDFULG-QGZVFWFLSA-N 1 1 288.435 3.073 20 30 CGEDMO C=CCOc1ccc(CNC[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000623654546 349856921 /nfs/dbraw/zinc/85/69/21/349856921.db2.gz CEOLKQYWGIFPSR-KRWDZBQOSA-N 1 1 288.435 3.073 20 30 CGEDMO C=CCOc1ccc(CNC[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000623654546 349856922 /nfs/dbraw/zinc/85/69/22/349856922.db2.gz CEOLKQYWGIFPSR-KRWDZBQOSA-N 1 1 288.435 3.073 20 30 CGEDMO C[C@H]1C[N@@H+](CCCC(C)(C)C#N)CC2(CCCC2)O1 ZINC000592195170 346971107 /nfs/dbraw/zinc/97/11/07/346971107.db2.gz RCUDRKLOLTVLRP-AWEZNQCLSA-N 1 1 264.413 3.350 20 30 CGEDMO C[C@H]1CC2(C[N@H+]1Cc1ccc(C#N)s1)CCOCC2 ZINC000592526015 346996517 /nfs/dbraw/zinc/99/65/17/346996517.db2.gz FGVZPTFTPJVZOA-LBPRGKRZSA-N 1 1 276.405 3.011 20 30 CGEDMO CC[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)[C@@H](C)CO1 ZINC000593061377 347034424 /nfs/dbraw/zinc/03/44/24/347034424.db2.gz JSFVXJKNELERLJ-WMLDXEAASA-N 1 1 286.419 3.487 20 30 CGEDMO N#Cc1cccc(OCCC[N@@H+]2CC[C@]3(CC3(F)F)C2)c1 ZINC000593119363 347042159 /nfs/dbraw/zinc/04/21/59/347042159.db2.gz WJRHLWGUUKWGFK-HNNXBMFYSA-N 1 1 292.329 3.058 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593118707 347042318 /nfs/dbraw/zinc/04/23/18/347042318.db2.gz RJMIJANRAGDWCN-SMDDNHRTSA-N 1 1 262.303 3.350 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1F)CC1(O)CCCCCC1 ZINC000426253091 529993256 /nfs/dbraw/zinc/99/32/56/529993256.db2.gz PTPJAUKMEHCKHA-UHFFFAOYSA-N 1 1 290.382 3.214 20 30 CGEDMO CC[C@H](C#N)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000593406323 347072225 /nfs/dbraw/zinc/07/22/25/347072225.db2.gz AJEMIQSFCKYGDS-GDBMZVCRSA-N 1 1 299.418 3.407 20 30 CGEDMO CC[C@@H](C#N)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000593406326 347072274 /nfs/dbraw/zinc/07/22/74/347072274.db2.gz AJEMIQSFCKYGDS-ZBFHGGJFSA-N 1 1 299.418 3.407 20 30 CGEDMO CCCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000026465425 344906939 /nfs/dbraw/zinc/90/69/39/344906939.db2.gz VFHAABFTSOJHFQ-NSHDSACASA-N 1 1 293.798 3.271 20 30 CGEDMO Cc1nc(C[NH2+][C@@H](C)c2cccc(C#N)c2)cs1 ZINC000041010666 344966765 /nfs/dbraw/zinc/96/67/65/344966765.db2.gz GDJVGUUAMSPQSQ-JTQLQIEISA-N 1 1 257.362 3.174 20 30 CGEDMO CCC1(CC)C[N@H+]([C@H]2CC[C@@H](C#N)C2)CCS1 ZINC000336337350 282379052 /nfs/dbraw/zinc/37/90/52/282379052.db2.gz UIWWDLWIMQPMSG-OLZOCXBDSA-N 1 1 252.427 3.286 20 30 CGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)CC1CCCCC1 ZINC000043999882 345005536 /nfs/dbraw/zinc/00/55/36/345005536.db2.gz GISZKQZZGORWCB-AWEZNQCLSA-N 1 1 299.418 3.397 20 30 CGEDMO COc1ccc(OC)c([C@@H]2CCC[N@H+]2CCCC#N)c1 ZINC000053099154 345114720 /nfs/dbraw/zinc/11/47/20/345114720.db2.gz PQWLUHGIYJYIBK-HNNXBMFYSA-N 1 1 274.364 3.144 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000054183350 345130123 /nfs/dbraw/zinc/13/01/23/345130123.db2.gz ROMFWPRCRJTYAQ-GFCCVEGCSA-N 1 1 294.782 3.283 20 30 CGEDMO CC(C)[C@@H]1CCC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000063618549 345250610 /nfs/dbraw/zinc/25/06/10/345250610.db2.gz MZKADWVWWDKOBY-KRWDZBQOSA-N 1 1 299.418 3.054 20 30 CGEDMO COc1cccc(C[N@@H+](C)CCOc2ccccc2C#N)c1 ZINC000060463513 345216901 /nfs/dbraw/zinc/21/69/01/345216901.db2.gz NNPCIFWQRISWOS-UHFFFAOYSA-N 1 1 296.370 3.078 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)Cc2ccccn2)cc1 ZINC000073394445 345442137 /nfs/dbraw/zinc/44/21/37/345442137.db2.gz RDJTVZVRZYEAOZ-UHFFFAOYSA-N 1 1 268.360 3.278 20 30 CGEDMO CCC[N@@H+](CCCCC#N)C[C@@H]1COc2ccccc2O1 ZINC000071016575 345400678 /nfs/dbraw/zinc/40/06/78/345400678.db2.gz WTSCEOFLFBJTOE-OAHLLOKOSA-N 1 1 288.391 3.232 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C)CCCc1ccc(Cl)cc1 ZINC000077270123 345565676 /nfs/dbraw/zinc/56/56/76/345565676.db2.gz ANHMUYYDBYNDEN-LBPRGKRZSA-N 1 1 250.773 3.364 20 30 CGEDMO CC(C)CCO[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000127473949 187308478 /nfs/dbraw/zinc/30/84/78/187308478.db2.gz WRGYBHURVITNHY-CYBMUJFWSA-N 1 1 278.421 3.257 20 30 CGEDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)Nc1snc(Cl)c1C#N ZINC000092622002 345847260 /nfs/dbraw/zinc/84/72/60/345847260.db2.gz TZLGPOAGFCGWLP-NXEZZACHSA-N 1 1 298.843 3.200 20 30 CGEDMO C[C@@H](C[N@@H+](C)Cc1ccc(C#N)o1)c1ccccc1 ZINC000093008916 345866071 /nfs/dbraw/zinc/86/60/71/345866071.db2.gz YPPHWNGOYAWVDB-ZDUSSCGKSA-N 1 1 254.333 3.387 20 30 CGEDMO C[C@H](C[N@@H+](C)Cc1ccc(C#N)o1)c1ccccc1 ZINC000093008918 345866166 /nfs/dbraw/zinc/86/61/66/345866166.db2.gz YPPHWNGOYAWVDB-CYBMUJFWSA-N 1 1 254.333 3.387 20 30 CGEDMO C[C@@H]([NH2+]Cc1nc2c(s1)CCC2)c1cccc(C#N)c1 ZINC000093078063 345869223 /nfs/dbraw/zinc/86/92/23/345869223.db2.gz AJIWSZCDQSIXRR-LLVKDONJSA-N 1 1 283.400 3.354 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)o1 ZINC000093335596 345875577 /nfs/dbraw/zinc/87/55/77/345875577.db2.gz RITHWPNGPRAANX-CYBMUJFWSA-N 1 1 270.307 3.280 20 30 CGEDMO C[N@@H+](CC(C)(C)CCC#N)[C@@H](CCO)c1ccccc1 ZINC000093442864 345878329 /nfs/dbraw/zinc/87/83/29/345878329.db2.gz ZFMIZVFSVBSKJQ-INIZCTEOSA-N 1 1 274.408 3.372 20 30 CGEDMO N#Cc1ccccc1NC(=O)CC[N@@H+](C1CC1)C1CCCC1 ZINC000103466302 345921684 /nfs/dbraw/zinc/92/16/84/345921684.db2.gz NXXZEECFZBKWOH-UHFFFAOYSA-N 1 1 297.402 3.294 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000132344655 346070820 /nfs/dbraw/zinc/07/08/20/346070820.db2.gz JBEGRSYNKVAKKY-UHFFFAOYSA-N 1 1 287.190 3.440 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000141199508 346107570 /nfs/dbraw/zinc/10/75/70/346107570.db2.gz YHWKCVDCILJBJA-CYBMUJFWSA-N 1 1 253.349 3.043 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)C1Cc2ccccc2C1 ZINC000141198852 346107852 /nfs/dbraw/zinc/10/78/52/346107852.db2.gz MUROVKVSXPODAG-UHFFFAOYSA-N 1 1 262.356 3.157 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCc2ccccc2C1 ZINC000165431962 346184123 /nfs/dbraw/zinc/18/41/23/346184123.db2.gz VDSWXBOTQUMFMO-UHFFFAOYSA-N 1 1 262.356 3.425 20 30 CGEDMO CC[N@@H+](Cc1ccncc1)Cc1ccc(C#N)cc1C ZINC000165456261 346184694 /nfs/dbraw/zinc/18/46/94/346184694.db2.gz QLIXUAFIYJEJFT-UHFFFAOYSA-N 1 1 265.360 3.284 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000172175484 346216819 /nfs/dbraw/zinc/21/68/19/346216819.db2.gz QDTKYROOBLBVLB-UHFFFAOYSA-N 1 1 266.772 3.177 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CC1)c1ccc(Br)s1 ZINC000308927849 346468940 /nfs/dbraw/zinc/46/89/40/346468940.db2.gz IRGMJMNWUZKIQC-QMMMGPOBSA-N 1 1 285.210 3.465 20 30 CGEDMO C=CCC[N@H+](C)Cc1cccc(OC)c1OC(C)C ZINC000343480055 346506030 /nfs/dbraw/zinc/50/60/30/346506030.db2.gz YMMVVQFAKVJNJV-UHFFFAOYSA-N 1 1 263.381 3.490 20 30 CGEDMO N#CC1(C[NH2+]Cc2cccc(OC(F)F)c2)CCCC1 ZINC000593650548 347099103 /nfs/dbraw/zinc/09/91/03/347099103.db2.gz UJUCRDDGVYACOO-UHFFFAOYSA-N 1 1 280.318 3.462 20 30 CGEDMO C=CCN(CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000338417794 346500287 /nfs/dbraw/zinc/50/02/87/346500287.db2.gz OWPCGVQFQUKWRY-WBVHZDCISA-N 1 1 258.409 3.330 20 30 CGEDMO C=CC[N@@H+](CC)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000338417794 346500289 /nfs/dbraw/zinc/50/02/89/346500289.db2.gz OWPCGVQFQUKWRY-WBVHZDCISA-N 1 1 258.409 3.330 20 30 CGEDMO C=CC[N@H+](CC)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000338417794 346500292 /nfs/dbraw/zinc/50/02/92/346500292.db2.gz OWPCGVQFQUKWRY-WBVHZDCISA-N 1 1 258.409 3.330 20 30 CGEDMO N#CC1(C[NH2+]Cc2c[nH]nc2-c2ccccc2F)CCCC1 ZINC000593652824 347099203 /nfs/dbraw/zinc/09/92/03/347099203.db2.gz PRNIGZSGHHJCKK-UHFFFAOYSA-N 1 1 298.365 3.389 20 30 CGEDMO N#CCCCC[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000370015882 346551246 /nfs/dbraw/zinc/55/12/46/346551246.db2.gz BCNJQRGMSIJMTO-HNNXBMFYSA-N 1 1 286.423 3.093 20 30 CGEDMO CC[N@H+](CCCN[C@@H]1CC[C@H](C#N)C1)C1CCCCC1 ZINC000593661277 347102141 /nfs/dbraw/zinc/10/21/41/347102141.db2.gz VXLZHNGMSLSZNJ-JKSUJKDBSA-N 1 1 277.456 3.313 20 30 CGEDMO CC[N@@H+](CCCN[C@@H]1CC[C@H](C#N)C1)C1CCCCC1 ZINC000593661277 347102146 /nfs/dbraw/zinc/10/21/46/347102146.db2.gz VXLZHNGMSLSZNJ-JKSUJKDBSA-N 1 1 277.456 3.313 20 30 CGEDMO Cc1cc(C[NH2+]CC2(C#N)CC2)sc1Br ZINC000389852122 346573438 /nfs/dbraw/zinc/57/34/38/346573438.db2.gz WSHGKKFYPNUYFO-UHFFFAOYSA-N 1 1 285.210 3.212 20 30 CGEDMO C=CCCC[N@H+](C)CCCn1c2ccccc2[nH]c1=O ZINC000533437399 346648393 /nfs/dbraw/zinc/64/83/93/346648393.db2.gz KKJIDEXJNQPOHR-UHFFFAOYSA-N 1 1 273.380 3.030 20 30 CGEDMO CC[C@@H]([NH2+]C1CCC(C)(C#N)CC1)C(=O)OC(C)(C)C ZINC000571629230 346667383 /nfs/dbraw/zinc/66/73/83/346667383.db2.gz PAJJFKCZFVZDRB-MFOWVQHXSA-N 1 1 280.412 3.169 20 30 CGEDMO C[C@@H]1CC[C@]2(CC[N@@H+](Cc3ccc(C#N)cc3[N+](=O)[O-])C2)C1 ZINC000584722475 346710250 /nfs/dbraw/zinc/71/02/50/346710250.db2.gz NZSRLNLORLGYHL-DYVFJYSZSA-N 1 1 299.374 3.479 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1ccn(-c2cccc(F)c2)n1 ZINC000586767611 346733979 /nfs/dbraw/zinc/73/39/79/346733979.db2.gz UXFBGBZFGMIMCX-UHFFFAOYSA-N 1 1 273.355 3.409 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccn(-c2cccc(F)c2)n1 ZINC000586767611 346733982 /nfs/dbraw/zinc/73/39/82/346733982.db2.gz UXFBGBZFGMIMCX-UHFFFAOYSA-N 1 1 273.355 3.409 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000588978138 346779505 /nfs/dbraw/zinc/77/95/05/346779505.db2.gz JZIIOCSYTQYYJT-QGZVFWFLSA-N 1 1 254.377 3.489 20 30 CGEDMO COCC[N@@H+](CCC#N)CC1CCC(C(C)C)CC1 ZINC000589162806 346785791 /nfs/dbraw/zinc/78/57/91/346785791.db2.gz UXENJZYIKVBEDA-UHFFFAOYSA-N 1 1 266.429 3.311 20 30 CGEDMO N#CCCCC[C@H]([NH3+])c1nc(C2CCCCC2)no1 ZINC000593944688 347121669 /nfs/dbraw/zinc/12/16/69/347121669.db2.gz ZWSIBBROJFPGMJ-LBPRGKRZSA-N 1 1 262.357 3.201 20 30 CGEDMO CC[N@H+]1CCN(c2cccc(C(F)F)c2C#N)C[C@H]1C ZINC000594568521 347194718 /nfs/dbraw/zinc/19/47/18/347194718.db2.gz BKPCUNFKUSKQNY-LLVKDONJSA-N 1 1 279.334 3.026 20 30 CGEDMO CC[N@H+]1CCN(c2cccc(C(F)F)c2C#N)C[C@@H]1C ZINC000594568522 347194977 /nfs/dbraw/zinc/19/49/77/347194977.db2.gz BKPCUNFKUSKQNY-NSHDSACASA-N 1 1 279.334 3.026 20 30 CGEDMO N#Cc1c(F)cccc1N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594604114 347200718 /nfs/dbraw/zinc/20/07/18/347200718.db2.gz YOKALNZERDNBQQ-CVEARBPZSA-N 1 1 273.355 3.126 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1Cc2ccc(C#N)cc2C1 ZINC000594616010 347205034 /nfs/dbraw/zinc/20/50/34/347205034.db2.gz VFYISALSDJETQO-UHFFFAOYSA-N 1 1 253.349 3.204 20 30 CGEDMO CC(C)(C#N)c1ccc(CNC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000594494819 347177451 /nfs/dbraw/zinc/17/74/51/347177451.db2.gz IFJCUMVBZFADOO-INIZCTEOSA-N 1 1 297.446 3.062 20 30 CGEDMO CC(C)(C#N)c1ccc(CNC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000594494819 347177458 /nfs/dbraw/zinc/17/74/58/347177458.db2.gz IFJCUMVBZFADOO-INIZCTEOSA-N 1 1 297.446 3.062 20 30 CGEDMO CC(C)(C#N)c1ccc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000594496413 347178626 /nfs/dbraw/zinc/17/86/26/347178626.db2.gz ZSBPUGTXHJLMJN-ZWKOTPCHSA-N 1 1 297.446 3.204 20 30 CGEDMO CC(C)(C#N)c1ccc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000594496413 347178629 /nfs/dbraw/zinc/17/86/29/347178629.db2.gz ZSBPUGTXHJLMJN-ZWKOTPCHSA-N 1 1 297.446 3.204 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc3c(c2)OCCO3)CCCCC1 ZINC000594993705 347251409 /nfs/dbraw/zinc/25/14/09/347251409.db2.gz FWBYYDPBKAPCNR-UHFFFAOYSA-N 1 1 286.375 3.021 20 30 CGEDMO C[C@H]1CCC[N@H+](CCNCc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594926682 347231861 /nfs/dbraw/zinc/23/18/61/347231861.db2.gz VGFAHPFMQACZEB-INIZCTEOSA-N 1 1 297.446 3.063 20 30 CGEDMO C[C@H]1CCC[N@@H+](CCNCc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594926682 347231862 /nfs/dbraw/zinc/23/18/62/347231862.db2.gz VGFAHPFMQACZEB-INIZCTEOSA-N 1 1 297.446 3.063 20 30 CGEDMO CN(C)c1ccccc1C[NH2+]CC1(C#N)CCCCC1 ZINC000594981552 347248710 /nfs/dbraw/zinc/24/87/10/347248710.db2.gz RDQNADKAROUBLQ-UHFFFAOYSA-N 1 1 271.408 3.316 20 30 CGEDMO COc1ccsc1C[NH2+]CC1(C#N)CCCCC1 ZINC000594981364 347248855 /nfs/dbraw/zinc/24/88/55/347248855.db2.gz NVCQEKCZZOQZAB-UHFFFAOYSA-N 1 1 264.394 3.320 20 30 CGEDMO CC[C@H]([NH2+][C@H](C)c1nccn1C)c1ccc(C#N)cc1 ZINC000595109096 347285127 /nfs/dbraw/zinc/28/51/27/347285127.db2.gz SYZJCHMSNMUEGE-DOMZBBRYSA-N 1 1 268.364 3.094 20 30 CGEDMO CS[C@@H]1CCCC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595388925 347297902 /nfs/dbraw/zinc/29/79/02/347297902.db2.gz YWELCRWFZIEOOP-MRXNPFEDSA-N 1 1 274.433 3.318 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000595611956 347326529 /nfs/dbraw/zinc/32/65/29/347326529.db2.gz QAUPTRDWTULKLL-CQSZACIVSA-N 1 1 281.359 3.467 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000595611956 347326533 /nfs/dbraw/zinc/32/65/33/347326533.db2.gz QAUPTRDWTULKLL-CQSZACIVSA-N 1 1 281.359 3.467 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](C[C@@H]2CCc3ccccc3C2)C1 ZINC000595619576 347328701 /nfs/dbraw/zinc/32/87/01/347328701.db2.gz DKGPMZKSFVVABR-JKSUJKDBSA-N 1 1 268.404 3.417 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2ccc(C(=O)OCC)cn2)C1 ZINC000595660150 347334091 /nfs/dbraw/zinc/33/40/91/347334091.db2.gz RGQAYGUBDOWKMX-AWEZNQCLSA-N 1 1 288.391 3.046 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cc(C(=O)OC)oc2C)C1 ZINC000595659069 347334302 /nfs/dbraw/zinc/33/43/02/347334302.db2.gz JEXDURSXMLWQAO-ZDUSSCGKSA-N 1 1 277.364 3.163 20 30 CGEDMO C[C@H](CO)[C@@H]1CCCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000595675319 347336368 /nfs/dbraw/zinc/33/63/68/347336368.db2.gz MICKSELDOZDPLV-CVEARBPZSA-N 1 1 278.440 3.333 20 30 CGEDMO C[C@@H](CO)[C@@H]1CCCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000595675336 347336636 /nfs/dbraw/zinc/33/66/36/347336636.db2.gz MICKSELDOZDPLV-HOTGVXAUSA-N 1 1 278.440 3.333 20 30 CGEDMO N#CCSCCC[N@@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000595706595 347343699 /nfs/dbraw/zinc/34/36/99/347343699.db2.gz ZDUCPQKZYZHUMM-AWEZNQCLSA-N 1 1 264.369 3.219 20 30 CGEDMO C[C@H]1CCC[N@@H+](CCCCC(C)(C)C#N)[C@H]1CCO ZINC000595703553 347343794 /nfs/dbraw/zinc/34/37/94/347343794.db2.gz UFGXJVZBHKUPPB-GJZGRUSLSA-N 1 1 266.429 3.189 20 30 CGEDMO N#CCc1ccc(C[N@@H+]2CCC[C@H](CCF)C2)cc1 ZINC000595757096 347351184 /nfs/dbraw/zinc/35/11/84/347351184.db2.gz ZDHNKHNWBDESDP-OAHLLOKOSA-N 1 1 260.356 3.324 20 30 CGEDMO C=CC[N@H+](CCOc1ccc(C#N)cc1)C(C)(C)C ZINC000595763406 347352461 /nfs/dbraw/zinc/35/24/61/347352461.db2.gz PLLJYFKPYGNGKW-UHFFFAOYSA-N 1 1 258.365 3.224 20 30 CGEDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595467508 347307688 /nfs/dbraw/zinc/30/76/88/347307688.db2.gz HMWQNLSZNTYWHX-BXUZGUMPSA-N 1 1 282.309 3.373 20 30 CGEDMO C[N@@H+](CCc1ccc(C#N)cc1)C1CC(OC(C)(C)C)C1 ZINC000595545015 347317597 /nfs/dbraw/zinc/31/75/97/347317597.db2.gz DLGPREVHWUCJNI-UHFFFAOYSA-N 1 1 286.419 3.379 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](CCCCOc2ccccc2)C1 ZINC000595836911 347364327 /nfs/dbraw/zinc/36/43/27/347364327.db2.gz BESCNYWFXAOCOF-INIZCTEOSA-N 1 1 258.365 3.081 20 30 CGEDMO CSc1ccc(OCC[N@@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000595837823 347364361 /nfs/dbraw/zinc/36/43/61/347364361.db2.gz NEBVQRHXAZGQNX-OAHLLOKOSA-N 1 1 276.405 3.023 20 30 CGEDMO CSc1ccc(OCC[N@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000595837823 347364363 /nfs/dbraw/zinc/36/43/63/347364363.db2.gz NEBVQRHXAZGQNX-OAHLLOKOSA-N 1 1 276.405 3.023 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)Nc1ccccc1C#N ZINC000595842638 347366370 /nfs/dbraw/zinc/36/63/70/347366370.db2.gz UGSBMAYJUUPFCD-BMFZPTHFSA-N 1 1 295.386 3.068 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C(=O)OC ZINC000595845311 347367376 /nfs/dbraw/zinc/36/73/76/347367376.db2.gz LCVKRMVUGZHUAG-GASCZTMLSA-N 1 1 271.360 3.156 20 30 CGEDMO CC[N@@H+](CCOc1ccccc1OC)CCC(C)(C)C#N ZINC000595887071 347369793 /nfs/dbraw/zinc/36/97/93/347369793.db2.gz MKCMRAHZEXCNBN-UHFFFAOYSA-N 1 1 290.407 3.336 20 30 CGEDMO CC1(C)C[N@H+]([C@@H]2CC[C@H](C#N)C2)[C@H]1c1ccncc1 ZINC000596593726 347484282 /nfs/dbraw/zinc/48/42/82/347484282.db2.gz RISULMVLUXIPLR-CFVMTHIKSA-N 1 1 255.365 3.157 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2cnc(C3CC3)s2)C1 ZINC000597175127 347544428 /nfs/dbraw/zinc/54/44/28/347544428.db2.gz XBNAMVNMRHNVHR-NSHDSACASA-N 1 1 261.394 3.146 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cnc(C3CC3)s2)C1 ZINC000597175127 347544430 /nfs/dbraw/zinc/54/44/30/347544430.db2.gz XBNAMVNMRHNVHR-NSHDSACASA-N 1 1 261.394 3.146 20 30 CGEDMO C[C@@H](C1CC1)[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596981409 347523768 /nfs/dbraw/zinc/52/37/68/347523768.db2.gz OHAOSOMXLPMVCV-ZDUSSCGKSA-N 1 1 254.377 3.472 20 30 CGEDMO CCC[N@@H+](Cc1cnc(C)n1C)Cc1ccc(C#N)cc1 ZINC000596983624 347524991 /nfs/dbraw/zinc/52/49/91/347524991.db2.gz CPBHYBZQQABTJI-UHFFFAOYSA-N 1 1 282.391 3.012 20 30 CGEDMO CC[N@H+]1C[C@@H](C)N(Cc2ccc(C3(C#N)CC3)cc2)C[C@H]1C ZINC000597012964 347527516 /nfs/dbraw/zinc/52/75/16/347527516.db2.gz GDQYZOOWYSFSCV-HZPDHXFCSA-N 1 1 297.446 3.156 20 30 CGEDMO CCN1C[C@@H](C)[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@H]1C ZINC000597012964 347527520 /nfs/dbraw/zinc/52/75/20/347527520.db2.gz GDQYZOOWYSFSCV-HZPDHXFCSA-N 1 1 297.446 3.156 20 30 CGEDMO CCN1C[C@@H](C)[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@H]1C ZINC000597012964 347527522 /nfs/dbraw/zinc/52/75/22/347527522.db2.gz GDQYZOOWYSFSCV-HZPDHXFCSA-N 1 1 297.446 3.156 20 30 CGEDMO C[C@H]1CSCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597010754 347527795 /nfs/dbraw/zinc/52/77/95/347527795.db2.gz QTTBQJPWZFBVTP-ZDUSSCGKSA-N 1 1 272.417 3.179 20 30 CGEDMO CC1=CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597009523 347527857 /nfs/dbraw/zinc/52/78/57/347527857.db2.gz SVUJUJIRTBVEEO-UHFFFAOYSA-N 1 1 252.361 3.394 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000597177909 347545561 /nfs/dbraw/zinc/54/55/61/347545561.db2.gz SAPNHBQTWZMNTI-JSGCOSHPSA-N 1 1 291.420 3.120 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000597177909 347545564 /nfs/dbraw/zinc/54/55/64/347545564.db2.gz SAPNHBQTWZMNTI-JSGCOSHPSA-N 1 1 291.420 3.120 20 30 CGEDMO CN(C)C1(C[N@H+](C)Cc2ccc(C3(C#N)CC3)cc2)CCC1 ZINC000597111788 347536477 /nfs/dbraw/zinc/53/64/77/347536477.db2.gz RXIDNDDAOIWVPS-UHFFFAOYSA-N 1 1 297.446 3.158 20 30 CGEDMO CN(C)C1(C[N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)CCC1 ZINC000597111788 347536481 /nfs/dbraw/zinc/53/64/81/347536481.db2.gz RXIDNDDAOIWVPS-UHFFFAOYSA-N 1 1 297.446 3.158 20 30 CGEDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597114670 347536752 /nfs/dbraw/zinc/53/67/52/347536752.db2.gz BJHFCDGKDDORMR-IBGZPJMESA-N 1 1 298.430 3.369 20 30 CGEDMO Cc1ncc(C[N@H+]2CCC[C@@H](CC#N)C2)n1-c1ccccc1 ZINC000597173565 347543406 /nfs/dbraw/zinc/54/34/06/347543406.db2.gz KFAIMPIJALSGRB-INIZCTEOSA-N 1 1 294.402 3.306 20 30 CGEDMO C[N@@H+](CC1=CCSC1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597246841 347562216 /nfs/dbraw/zinc/56/22/16/347562216.db2.gz UTQMJTWMIGYQLJ-UHFFFAOYSA-N 1 1 284.428 3.347 20 30 CGEDMO C[N@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(C#N)ccc32)CC1(C)C ZINC000598974367 347702419 /nfs/dbraw/zinc/70/24/19/347702419.db2.gz JFIQCSBXDBVGMY-RDJZCZTQSA-N 1 1 283.419 3.008 20 30 CGEDMO CN1CC[C@H]([NH2+][C@H]2CCc3cc(C#N)ccc32)CC1(C)C ZINC000598974367 347702421 /nfs/dbraw/zinc/70/24/21/347702421.db2.gz JFIQCSBXDBVGMY-RDJZCZTQSA-N 1 1 283.419 3.008 20 30 CGEDMO C[N@@H+]1CC[C@H](N[C@H]2CCc3cc(C#N)ccc32)CC1(C)C ZINC000598974367 347702423 /nfs/dbraw/zinc/70/24/23/347702423.db2.gz JFIQCSBXDBVGMY-RDJZCZTQSA-N 1 1 283.419 3.008 20 30 CGEDMO C[N@H+]1CC[C@H](N[C@H]2CCc3cc(C#N)ccc32)CC1(C)C ZINC000598974367 347702425 /nfs/dbraw/zinc/70/24/25/347702425.db2.gz JFIQCSBXDBVGMY-RDJZCZTQSA-N 1 1 283.419 3.008 20 30 CGEDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598584308 347666218 /nfs/dbraw/zinc/66/62/18/347666218.db2.gz GFHJHVUYZJPXIF-DOMZBBRYSA-N 1 1 278.371 3.119 20 30 CGEDMO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598586094 347666793 /nfs/dbraw/zinc/66/67/93/347666793.db2.gz COLUIYMSCXYOJI-WCQYABFASA-N 1 1 296.361 3.258 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000598587757 347667657 /nfs/dbraw/zinc/66/76/57/347667657.db2.gz VMIRJWHGUIICRL-HOTGVXAUSA-N 1 1 290.382 3.263 20 30 CGEDMO CCCCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C(C)C ZINC000598589551 347667743 /nfs/dbraw/zinc/66/77/43/347667743.db2.gz PEOJASIDMZPHCC-AWEZNQCLSA-N 1 1 254.418 3.188 20 30 CGEDMO C[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1CCC(C)(C)CC1 ZINC000598592450 347667747 /nfs/dbraw/zinc/66/77/47/347667747.db2.gz IVICXXWGJCNKDT-AWEZNQCLSA-N 1 1 266.429 3.188 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCCC2(CCCCC2)C1 ZINC000598588375 347667780 /nfs/dbraw/zinc/66/77/80/347667780.db2.gz KJJVTGWCOGXYDI-OAHLLOKOSA-N 1 1 278.440 3.333 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000598588600 347667830 /nfs/dbraw/zinc/66/78/30/347667830.db2.gz JQNIMVJMMUIGRD-KGLIPLIRSA-N 1 1 278.421 3.186 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000598588601 347667903 /nfs/dbraw/zinc/66/79/03/347667903.db2.gz JQNIMVJMMUIGRD-UONOGXRCSA-N 1 1 278.421 3.186 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@@H]1CC1CCCC1 ZINC000598621730 347672413 /nfs/dbraw/zinc/67/24/13/347672413.db2.gz CKNGVIOUHRJACF-CVEARBPZSA-N 1 1 278.440 3.332 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC(C)(C)CC(C)(C)C1 ZINC000598627662 347673169 /nfs/dbraw/zinc/67/31/69/347673169.db2.gz VJRXAKMDTNFWKJ-AWEZNQCLSA-N 1 1 280.456 3.435 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCc2c(O)cccc2C1 ZINC000599649323 347761720 /nfs/dbraw/zinc/76/17/20/347761720.db2.gz ZWAOGUOVGJELSX-ZDUSSCGKSA-N 1 1 278.355 3.383 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCc2c(O)cccc2C1 ZINC000599649323 347761723 /nfs/dbraw/zinc/76/17/23/347761723.db2.gz ZWAOGUOVGJELSX-ZDUSSCGKSA-N 1 1 278.355 3.383 20 30 CGEDMO C[C@]12CCCC[C@H]1C[N@H+]2Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000599671982 347762907 /nfs/dbraw/zinc/76/29/07/347762907.db2.gz WFCCLNDZRXMRCY-HOCLYGCPSA-N 1 1 285.347 3.231 20 30 CGEDMO C[C@]12CCCC[C@H]1C[N@H+]2CCC(=O)Nc1cccc(C#N)c1 ZINC000599672687 347763556 /nfs/dbraw/zinc/76/35/56/347763556.db2.gz YUIMQGYMPRACGZ-YJBOKZPZSA-N 1 1 297.402 3.151 20 30 CGEDMO CCC(O)(CC)C[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000599673417 347764177 /nfs/dbraw/zinc/76/41/77/347764177.db2.gz NMLLAYCFLUHSGL-UHFFFAOYSA-N 1 1 288.435 3.471 20 30 CGEDMO C[C@]12CCCC[C@H]1C[N@H+]2Cc1ccc(F)c(C#N)c1 ZINC000599674366 347764183 /nfs/dbraw/zinc/76/41/83/347764183.db2.gz DXEGVPSQDRLVCR-HOCLYGCPSA-N 1 1 258.340 3.462 20 30 CGEDMO CC1(C)CC[C@H](C[N@H+]2CCc3c(CC#N)cccc3C2)O1 ZINC000599678471 347765205 /nfs/dbraw/zinc/76/52/05/347765205.db2.gz RDZPOLXNTJCKIF-MRXNPFEDSA-N 1 1 284.403 3.068 20 30 CGEDMO CC/C=C/CC[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677924 347765223 /nfs/dbraw/zinc/76/52/23/347765223.db2.gz MTHVDVNXVYKPEY-ONEGZZNKSA-N 1 1 254.377 3.467 20 30 CGEDMO CO[C@H](CC(C)C)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678463 347765441 /nfs/dbraw/zinc/76/54/41/347765441.db2.gz RDGPXPCWVLQZHD-QGZVFWFLSA-N 1 1 286.419 3.172 20 30 CGEDMO CO[C@H](C)C[N@@H+](Cc1ccc(C)c(C#N)c1)C(C)C ZINC000599299847 347733719 /nfs/dbraw/zinc/73/37/19/347733719.db2.gz OLEKJSHIRLVZSW-CQSZACIVSA-N 1 1 260.381 3.112 20 30 CGEDMO CCC[N@@H+](C)C[C@H]1CCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000599308586 347734371 /nfs/dbraw/zinc/73/43/71/347734371.db2.gz UVTLAXHXZRCAMY-QGZVFWFLSA-N 1 1 285.435 3.030 20 30 CGEDMO Cc1ccc(C[N@H+]2CCCC[C@H]2c2ccnn2C)cc1C#N ZINC000599397552 347742573 /nfs/dbraw/zinc/74/25/73/347742573.db2.gz QTVRFDBKQLSKJS-SFHVURJKSA-N 1 1 294.402 3.327 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCCC[C@H]2c2ccnn2C)cc1C#N ZINC000599397552 347742576 /nfs/dbraw/zinc/74/25/76/347742576.db2.gz QTVRFDBKQLSKJS-SFHVURJKSA-N 1 1 294.402 3.327 20 30 CGEDMO Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1C#N ZINC000599431379 347743601 /nfs/dbraw/zinc/74/36/01/347743601.db2.gz GRDXFAVYQTZFTJ-OTWHNJEPSA-N 1 1 298.430 3.382 20 30 CGEDMO Cc1ccc(C[N@H+]2CCCO[C@@H](C(C)C)C2)cc1C#N ZINC000599431074 347743806 /nfs/dbraw/zinc/74/38/06/347743806.db2.gz OVHNBFYFRLYIBL-QGZVFWFLSA-N 1 1 272.392 3.114 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)cc1C#N ZINC000599430245 347743906 /nfs/dbraw/zinc/74/39/06/347743906.db2.gz XPHVOQISHAPKLJ-LSDHHAIUSA-N 1 1 276.330 3.344 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000599526282 347750589 /nfs/dbraw/zinc/75/05/89/347750589.db2.gz JMPZUSOHINIHDJ-ZDUSSCGKSA-N 1 1 260.337 3.301 20 30 CGEDMO C[N@H+](Cc1cnc(C2CC2)o1)Cc1cccc(C#N)c1 ZINC000600110098 347780680 /nfs/dbraw/zinc/78/06/80/347780680.db2.gz WXFZJRPTKWCEQY-UHFFFAOYSA-N 1 1 267.332 3.056 20 30 CGEDMO C[N@@H+](Cc1cnc(C2CC2)o1)Cc1cccc(C#N)c1 ZINC000600110098 347780683 /nfs/dbraw/zinc/78/06/83/347780683.db2.gz WXFZJRPTKWCEQY-UHFFFAOYSA-N 1 1 267.332 3.056 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599582514 347756039 /nfs/dbraw/zinc/75/60/39/347756039.db2.gz MSVLDLAJXNWLAU-ZIAGYGMSSA-N 1 1 267.413 3.252 20 30 CGEDMO CC(C)([NH2+]Cc1cnc(C2CC2)o1)c1cccc(C#N)c1 ZINC000600180091 347789661 /nfs/dbraw/zinc/78/96/61/347789661.db2.gz YQTVHDLPXYJGST-UHFFFAOYSA-N 1 1 281.359 3.449 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCc2c(O)cccc2C1 ZINC000600209000 347793352 /nfs/dbraw/zinc/79/33/52/347793352.db2.gz VPIQEFYFPSOSJJ-UHFFFAOYSA-N 1 1 258.365 3.080 20 30 CGEDMO N#Cc1cc(-c2cccc(C[NH+]3CCOCC3)c2)ccc1F ZINC000600782031 347835160 /nfs/dbraw/zinc/83/51/60/347835160.db2.gz KJEJGSNBRSRQBV-UHFFFAOYSA-N 1 1 296.345 3.197 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]2Cc2ccccc2)n1 ZINC000602435271 347956906 /nfs/dbraw/zinc/95/69/06/347956906.db2.gz KGYRTVREEPJRCA-SFHVURJKSA-N 1 1 277.371 3.160 20 30 CGEDMO CCc1ccccc1NC(=O)C[N@@H+](C)C[C@H](C)CCC#N ZINC000602432966 347957262 /nfs/dbraw/zinc/95/72/62/347957262.db2.gz KKVBBIJLGPQHOP-CQSZACIVSA-N 1 1 287.407 3.059 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)CCCOc1ccc(F)cc1 ZINC000602444556 347959319 /nfs/dbraw/zinc/95/93/19/347959319.db2.gz HKECMJYWTFOSFL-CQSZACIVSA-N 1 1 278.371 3.466 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000602447855 347960163 /nfs/dbraw/zinc/96/01/63/347960163.db2.gz GUQCQTHVSHAXNC-GOEBONIOSA-N 1 1 276.380 3.200 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCCN(c2ccccc2)CC1 ZINC000602450008 347960351 /nfs/dbraw/zinc/96/03/51/347960351.db2.gz OJQDGJPNBHPZLJ-INIZCTEOSA-N 1 1 271.408 3.139 20 30 CGEDMO Cc1ccccc1C[C@H]1CCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602458945 347961040 /nfs/dbraw/zinc/96/10/40/347961040.db2.gz RDNZQVHJTLARMG-LJQANCHMSA-N 1 1 291.398 3.469 20 30 CGEDMO CCC[N@@H+](C[C@@H](C)CCC#N)C[C@@H]1CCCCO1 ZINC000602463596 347962214 /nfs/dbraw/zinc/96/22/14/347962214.db2.gz IDIWEJMMOCMCAI-GJZGRUSLSA-N 1 1 252.402 3.207 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)CC1CCSCC1 ZINC000602465593 347962756 /nfs/dbraw/zinc/96/27/56/347962756.db2.gz PVVWLVOUVRFIDF-UHFFFAOYSA-N 1 1 254.443 3.391 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)Cc1cccn(C(F)F)c1=O ZINC000602465666 347963116 /nfs/dbraw/zinc/96/31/16/347963116.db2.gz RNUOQBMIMBKJBY-UHFFFAOYSA-N 1 1 297.349 3.005 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1cccn(C(F)F)c1=O ZINC000602465666 347963117 /nfs/dbraw/zinc/96/31/17/347963117.db2.gz RNUOQBMIMBKJBY-UHFFFAOYSA-N 1 1 297.349 3.005 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)n1 ZINC000602472336 347963647 /nfs/dbraw/zinc/96/36/47/347963647.db2.gz FFYPRMOTHDRXAS-ZDUSSCGKSA-N 1 1 281.334 3.082 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)n1)C1CCC(C)(C)CC1 ZINC000602475335 347964872 /nfs/dbraw/zinc/96/48/72/347964872.db2.gz UGOLSNMJVLQJHM-UHFFFAOYSA-N 1 1 257.381 3.354 20 30 CGEDMO CO[C@](C)(C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1)C1CC1 ZINC000602492300 347969148 /nfs/dbraw/zinc/96/91/48/347969148.db2.gz GGKWLTLXQVEZIK-LJQANCHMSA-N 1 1 296.414 3.462 20 30 CGEDMO N#CCC1(C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)CC1 ZINC000602779690 348027645 /nfs/dbraw/zinc/02/76/45/348027645.db2.gz MNLXYXQBPJRNIH-GOSISDBHSA-N 1 1 298.430 3.404 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000602608593 347993132 /nfs/dbraw/zinc/99/31/32/347993132.db2.gz PNXRCEWROWQGPN-CJNGLKHVSA-N 1 1 276.355 3.219 20 30 CGEDMO COCC[C@@H]1CCCC[N@@H+](C[C@H](C)CCC#N)C1 ZINC000602611264 347993399 /nfs/dbraw/zinc/99/33/99/347993399.db2.gz KXUBWJGULASHME-CABCVRRESA-N 1 1 252.402 3.065 20 30 CGEDMO C[C@@H](CCC#N)C[NH2+]C[C@@H]1CCCN1C1CCCCC1 ZINC000602645515 347999865 /nfs/dbraw/zinc/99/98/65/347999865.db2.gz JNEUPNLKQZKPOJ-RDJZCZTQSA-N 1 1 277.456 3.313 20 30 CGEDMO C[C@H](CCC#N)CN1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000602668568 348004971 /nfs/dbraw/zinc/00/49/71/348004971.db2.gz CUEVDHBLLXAZPA-NVXWUHKLSA-N 1 1 283.419 3.411 20 30 CGEDMO CC(C)([NH2+]Cc1cccc(C#N)n1)c1ccccc1F ZINC000602673278 348005869 /nfs/dbraw/zinc/00/58/69/348005869.db2.gz QJFREQJFQFDHFE-UHFFFAOYSA-N 1 1 269.323 3.117 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+]([C@@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000602695232 348011134 /nfs/dbraw/zinc/01/11/34/348011134.db2.gz MOPNWCBBUOQBPA-OLZOCXBDSA-N 1 1 280.412 3.121 20 30 CGEDMO CC(C)[C@H]1[N@@H+](Cc2cccc(C#N)n2)CC12CC=CC2 ZINC000602703607 348012957 /nfs/dbraw/zinc/01/29/57/348012957.db2.gz RAQAKFPUOYZWEU-MRXNPFEDSA-N 1 1 267.376 3.130 20 30 CGEDMO N#CCC1(C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)CC1 ZINC000602789477 348029210 /nfs/dbraw/zinc/02/92/10/348029210.db2.gz VQVNDWPFKRPACT-QGZVFWFLSA-N 1 1 284.403 3.014 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CC[C@H](OCc2ccccn2)C1 ZINC000602714382 348015641 /nfs/dbraw/zinc/01/56/41/348015641.db2.gz IBRAOISUSOYZKR-INIZCTEOSA-N 1 1 287.407 3.002 20 30 CGEDMO N#CCC1(C[N@H+]2CCS[C@H]3CCCC[C@H]32)CC1 ZINC000602786251 348029661 /nfs/dbraw/zinc/02/96/61/348029661.db2.gz FEBGQQWXSYNCLV-OLZOCXBDSA-N 1 1 250.411 3.040 20 30 CGEDMO N#CCC1(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)CC1 ZINC000602764216 348025304 /nfs/dbraw/zinc/02/53/04/348025304.db2.gz NKWDGXPLZSPXJJ-QGZVFWFLSA-N 1 1 284.403 3.361 20 30 CGEDMO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CC1(CC#N)CC1 ZINC000602792653 348030630 /nfs/dbraw/zinc/03/06/30/348030630.db2.gz KGQRUTIMYISZTK-INIZCTEOSA-N 1 1 294.402 3.404 20 30 CGEDMO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC1(CC#N)CC1 ZINC000602792653 348030633 /nfs/dbraw/zinc/03/06/33/348030633.db2.gz KGQRUTIMYISZTK-INIZCTEOSA-N 1 1 294.402 3.404 20 30 CGEDMO N#CCC1(C[NH2+][C@H](Cc2ccccc2)c2ncco2)CC1 ZINC000602873622 348039101 /nfs/dbraw/zinc/03/91/01/348039101.db2.gz QTPAMXLDBULIQR-OAHLLOKOSA-N 1 1 281.359 3.242 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000602881734 348040335 /nfs/dbraw/zinc/04/03/35/348040335.db2.gz HFUBNFHIBIXUFN-AWEZNQCLSA-N 1 1 292.386 3.142 20 30 CGEDMO COc1ncc(C[N@H+]2CCC[C@@H](CC#N)C2)c2ccccc21 ZINC000602884579 348041034 /nfs/dbraw/zinc/04/10/34/348041034.db2.gz OKWFSTPWHOALTK-AWEZNQCLSA-N 1 1 295.386 3.369 20 30 CGEDMO CC(C)CSCCC[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602980214 348050077 /nfs/dbraw/zinc/05/00/77/348050077.db2.gz NCEWCQVEDZDXFU-KBPBESRZSA-N 1 1 254.443 3.390 20 30 CGEDMO COc1cc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)ccc1Cl ZINC000602982197 348051061 /nfs/dbraw/zinc/05/10/61/348051061.db2.gz OXCBLURCYLLCAK-GXTWGEPZSA-N 1 1 278.783 3.473 20 30 CGEDMO COc1cc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)ccc1Cl ZINC000602982197 348051062 /nfs/dbraw/zinc/05/10/62/348051062.db2.gz OXCBLURCYLLCAK-GXTWGEPZSA-N 1 1 278.783 3.473 20 30 CGEDMO N#CC1(CC[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)CCCCC1 ZINC000602997374 348052965 /nfs/dbraw/zinc/05/29/65/348052965.db2.gz IRGRXVWEWXBDGK-BBWFWOEESA-N 1 1 290.451 3.476 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[NH2+][C@H]1CCCn2nccc21 ZINC000603028305 348054536 /nfs/dbraw/zinc/05/45/36/348054536.db2.gz DAOVXGWSAWPACC-AWEZNQCLSA-N 1 1 286.766 3.033 20 30 CGEDMO Cc1ccnc(N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1C#N ZINC000273318125 192111237 /nfs/dbraw/zinc/11/12/37/192111237.db2.gz JQGPLTIKTHZLRW-CABCVRRESA-N 1 1 298.434 3.327 20 30 CGEDMO N#CCCC[NH+]1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 ZINC000604275946 348112604 /nfs/dbraw/zinc/11/26/04/348112604.db2.gz CQACBRKOKCUALO-RKDXNWHRSA-N 1 1 288.235 3.353 20 30 CGEDMO CC[N@@H+](CCC(F)(F)F)Cc1cccc(C#N)c1 ZINC000604525303 348123717 /nfs/dbraw/zinc/12/37/17/348123717.db2.gz KNHUQTZHGXREOH-UHFFFAOYSA-N 1 1 256.271 3.333 20 30 CGEDMO C=CCCC[N@H+](CCC)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000607155196 348226425 /nfs/dbraw/zinc/22/64/25/348226425.db2.gz RSMJONOVXBGGKD-ZNMIVQPWSA-N 1 1 251.414 3.478 20 30 CGEDMO C=CCCCCCN(C)C(=O)NC[C@H]1CC[N@H+](CCC)C1 ZINC000606943047 348211313 /nfs/dbraw/zinc/21/13/13/348211313.db2.gz FFKBMQTUUXJAQA-MRXNPFEDSA-N 1 1 295.471 3.106 20 30 CGEDMO N#CCSCCC[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000610409915 348381400 /nfs/dbraw/zinc/38/14/00/348381400.db2.gz RCLLVBXYJLVMCK-MRXNPFEDSA-N 1 1 290.432 3.097 20 30 CGEDMO CC(C)[C@@H](C#N)N1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000610859461 348406502 /nfs/dbraw/zinc/40/65/02/348406502.db2.gz QVLKFEDTWGKRFP-QGZVFWFLSA-N 1 1 297.402 3.099 20 30 CGEDMO C[N@@H+](CCCOc1cccc(C#N)c1)CCOC(C)(C)C ZINC000610859811 348406887 /nfs/dbraw/zinc/40/68/87/348406887.db2.gz NIRKTIJGZOCUEA-UHFFFAOYSA-N 1 1 290.407 3.074 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)ccn1 ZINC000610991508 348413728 /nfs/dbraw/zinc/41/37/28/348413728.db2.gz MCXUTJIVVAGTQR-SFHVURJKSA-N 1 1 295.361 3.299 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@H]2Cc2ccccc2)ccn1 ZINC000610991209 348413750 /nfs/dbraw/zinc/41/37/50/348413750.db2.gz DSJQMYKEHRCLAJ-SFHVURJKSA-N 1 1 277.371 3.160 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)ccn1 ZINC000610993368 348415103 /nfs/dbraw/zinc/41/51/03/348415103.db2.gz OLCISCCGEGXTHN-KRWDZBQOSA-N 1 1 277.371 3.018 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)ccn1 ZINC000610994519 348416241 /nfs/dbraw/zinc/41/62/41/348416241.db2.gz ITIVZOXCEGEBLE-OAHLLOKOSA-N 1 1 281.334 3.082 20 30 CGEDMO Cc1cccc(C)c1OCC[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000611091101 348422473 /nfs/dbraw/zinc/42/24/73/348422473.db2.gz FZCICFHTAJREQL-ZDUSSCGKSA-N 1 1 272.392 3.306 20 30 CGEDMO Cc1cccc(C)c1OCC[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000611091101 348422475 /nfs/dbraw/zinc/42/24/75/348422475.db2.gz FZCICFHTAJREQL-ZDUSSCGKSA-N 1 1 272.392 3.306 20 30 CGEDMO CCC[N@H+](CC)CCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611393945 348445735 /nfs/dbraw/zinc/44/57/35/348445735.db2.gz UTMLCBOPMABDAP-GOSISDBHSA-N 1 1 285.435 3.257 20 30 CGEDMO CCC[N@@H+](CC)CCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611393945 348445738 /nfs/dbraw/zinc/44/57/38/348445738.db2.gz UTMLCBOPMABDAP-GOSISDBHSA-N 1 1 285.435 3.257 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(O)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000611526624 348458597 /nfs/dbraw/zinc/45/85/97/348458597.db2.gz XKJUYRISQGMFHR-UHFFFAOYSA-N 1 1 298.342 3.489 20 30 CGEDMO C=CC[N@H+](Cc1ccc(O)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000611526624 348458598 /nfs/dbraw/zinc/45/85/98/348458598.db2.gz XKJUYRISQGMFHR-UHFFFAOYSA-N 1 1 298.342 3.489 20 30 CGEDMO C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612159600 348497718 /nfs/dbraw/zinc/49/77/18/348497718.db2.gz CXFKMUYSJFXUOA-PMPSAXMXSA-N 1 1 264.413 3.207 20 30 CGEDMO C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612159600 348497720 /nfs/dbraw/zinc/49/77/20/348497720.db2.gz CXFKMUYSJFXUOA-PMPSAXMXSA-N 1 1 264.413 3.207 20 30 CGEDMO CC[C@H]1CCC[C@H](C[N@H+](CCC#N)CCOC)C1 ZINC000612399123 348516099 /nfs/dbraw/zinc/51/60/99/348516099.db2.gz MDFADPITQVORAO-GJZGRUSLSA-N 1 1 252.402 3.065 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1ccccc1OCC1CC1 ZINC000612585189 348530304 /nfs/dbraw/zinc/53/03/04/348530304.db2.gz RBNAEBRWUFRGNY-UHFFFAOYSA-N 1 1 258.365 3.115 20 30 CGEDMO CC[C@H](C)[N@@H+](C)CCNc1nc(C(C)(C)C)ccc1C#N ZINC000613418502 348600066 /nfs/dbraw/zinc/60/00/66/348600066.db2.gz VMVDGGANNCQOQE-ZDUSSCGKSA-N 1 1 288.439 3.393 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)cc1 ZINC000613179375 348571633 /nfs/dbraw/zinc/57/16/33/348571633.db2.gz WCSNWULKPCFXNE-IBGZPJMESA-N 1 1 291.398 3.212 20 30 CGEDMO CC(C)[N@H+]1CCCN(Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614164770 348653653 /nfs/dbraw/zinc/65/36/53/348653653.db2.gz YEIQONHGLPENAO-UHFFFAOYSA-N 1 1 299.462 3.404 20 30 CGEDMO CN(C)[C@@H]1CCC[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614166923 348654341 /nfs/dbraw/zinc/65/43/41/348654341.db2.gz ZKNRHYDCAAYJDL-QGZVFWFLSA-N 1 1 285.435 3.014 20 30 CGEDMO CN(C)[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614166923 348654343 /nfs/dbraw/zinc/65/43/43/348654343.db2.gz ZKNRHYDCAAYJDL-QGZVFWFLSA-N 1 1 285.435 3.014 20 30 CGEDMO C[C@H]([NH2+]Cc1ccccc1C#N)c1ccc([S@](C)=O)cc1 ZINC000339501614 215213850 /nfs/dbraw/zinc/21/38/50/215213850.db2.gz JLAFMFLBIRFBIR-ZSEKCTLFSA-N 1 1 298.411 3.146 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+](C)CCC(C)C)c1C ZINC000613878438 348637869 /nfs/dbraw/zinc/63/78/69/348637869.db2.gz ZSXZQDAJRGLFIB-UHFFFAOYSA-N 1 1 276.424 3.452 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@H+](C)CCC(C)C)c1C ZINC000613878438 348637872 /nfs/dbraw/zinc/63/78/72/348637872.db2.gz ZSXZQDAJRGLFIB-UHFFFAOYSA-N 1 1 276.424 3.452 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCCOC(C)(C)C1 ZINC000615438947 348739856 /nfs/dbraw/zinc/73/98/56/348739856.db2.gz BKXLAZVMSBJOHM-ZDUSSCGKSA-N 1 1 258.365 3.120 20 30 CGEDMO CCn1ccc(C[N@@H+](C)Cc2ccc(OC)c(C#N)c2)c1 ZINC000616737749 348876461 /nfs/dbraw/zinc/87/64/61/348876461.db2.gz JLZITNHGQIVWDA-UHFFFAOYSA-N 1 1 283.375 3.020 20 30 CGEDMO CCc1cc(N[C@H]2CCc3cc(C#N)ccc32)nc(C)[nH+]1 ZINC000618694375 349145293 /nfs/dbraw/zinc/14/52/93/349145293.db2.gz AEWWSJWUTABIBN-INIZCTEOSA-N 1 1 278.359 3.319 20 30 CGEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cn2)cc1 ZINC000618903887 349177781 /nfs/dbraw/zinc/17/77/81/349177781.db2.gz BRMWBRPZUUBXQC-GOSISDBHSA-N 1 1 293.370 3.299 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000619179440 349217599 /nfs/dbraw/zinc/21/75/99/349217599.db2.gz BEYPOIDIFFBXNR-INIZCTEOSA-N 1 1 272.392 3.114 20 30 CGEDMO C[C@H]1C[C@H](C)[NH+]1Cc1ccc(C#N)cc1Br ZINC000619285194 349227447 /nfs/dbraw/zinc/22/74/47/349227447.db2.gz ABGFLQRCZUSHSV-UWVGGRQHSA-N 1 1 279.181 3.303 20 30 CGEDMO Cc1cc(NC(=O)C[C@@H](CC#N)c2ccccc2)c(C)c[nH+]1 ZINC000619440632 349251527 /nfs/dbraw/zinc/25/15/27/349251527.db2.gz CXPLVCNJUAGTPU-MRXNPFEDSA-N 1 1 293.370 3.146 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](CC(=O)N[C@H](C)c2ccccc2)C1 ZINC000625534385 350181934 /nfs/dbraw/zinc/18/19/34/350181934.db2.gz ABPAYHIVTJKRNV-CVEARBPZSA-N 1 1 286.419 3.152 20 30 CGEDMO C=CC[C@H]1CC[N@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000625700678 350198157 /nfs/dbraw/zinc/19/81/57/350198157.db2.gz DXTXSEPUJAAEQG-JKSUJKDBSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2csc([C@H](C)OC)n2)C1 ZINC000625699961 350198509 /nfs/dbraw/zinc/19/85/09/350198509.db2.gz FPWNXTUTSNSLRB-RYUDHWBXSA-N 1 1 266.410 3.249 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2csc([C@H](C)OC)n2)C1 ZINC000625699961 350198514 /nfs/dbraw/zinc/19/85/14/350198514.db2.gz FPWNXTUTSNSLRB-RYUDHWBXSA-N 1 1 266.410 3.249 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CCC[C@H](C/C=C\C)C2)nn1 ZINC000626165000 350277259 /nfs/dbraw/zinc/27/72/59/350277259.db2.gz YHPSVFFMVKYGMZ-QTLSWZBMSA-N 1 1 274.412 3.032 20 30 CGEDMO C=CC[N@H+](C[C@@H](O)c1ccc(Br)cc1)C1CC1 ZINC000271373588 191103183 /nfs/dbraw/zinc/10/31/83/191103183.db2.gz HFCDEPVUTHIOFU-CQSZACIVSA-N 1 1 296.208 3.133 20 30 CGEDMO C=CC(C)(C)CCNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000628311913 350493566 /nfs/dbraw/zinc/49/35/66/350493566.db2.gz FYMSOVBQJKJNDS-ZDUSSCGKSA-N 1 1 277.412 3.115 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000628404966 350528866 /nfs/dbraw/zinc/52/88/66/350528866.db2.gz AEGRMEWFOKVSJC-TZMCWYRMSA-N 1 1 278.421 3.393 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2c(C)nn(-c3ccccn3)c2C)C1 ZINC000628406333 350530072 /nfs/dbraw/zinc/53/00/72/350530072.db2.gz HSDMFBPQLCYOGU-MRXNPFEDSA-N 1 1 296.418 3.282 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000628544296 350573172 /nfs/dbraw/zinc/57/31/72/350573172.db2.gz AAVUYEDJUBWNCW-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC(CC=C)C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000628545178 350573238 /nfs/dbraw/zinc/57/32/38/350573238.db2.gz BMSHPSLULIUZRJ-QGZVFWFLSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCOc1ccccc1C[N@H+](C)CC(O)(CC)CC ZINC000628479486 350548945 /nfs/dbraw/zinc/54/89/45/350548945.db2.gz PFFPFYDKUAPYNR-UHFFFAOYSA-N 1 1 277.408 3.234 20 30 CGEDMO C=CCC[C@H](NC(=O)C[N@H+](C)C1CCC1)c1ccccc1 ZINC000629974725 350792621 /nfs/dbraw/zinc/79/26/21/350792621.db2.gz LPMDNTUFEURGQX-KRWDZBQOSA-N 1 1 286.419 3.294 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000633425833 351302945 /nfs/dbraw/zinc/30/29/45/351302945.db2.gz GAGYMOIVHQCUTD-MRXNPFEDSA-N 1 1 298.430 3.076 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000633425833 351302951 /nfs/dbraw/zinc/30/29/51/351302951.db2.gz GAGYMOIVHQCUTD-MRXNPFEDSA-N 1 1 298.430 3.076 20 30 CGEDMO C=CCC1(CNC(=O)Cn2cc[nH+]c2C(C)C)CCCC1 ZINC000635996186 351710080 /nfs/dbraw/zinc/71/00/80/351710080.db2.gz UCELCBZVBROJQD-UHFFFAOYSA-N 1 1 289.423 3.259 20 30 CGEDMO C=C(Cl)C[NH2+][C@H](C)c1sc(CCOC)nc1C ZINC000271450624 191144096 /nfs/dbraw/zinc/14/40/96/191144096.db2.gz FRXUOPADOIVWDL-SECBINFHSA-N 1 1 274.817 3.044 20 30 CGEDMO Cc1ccc2ncc(C#N)c(NCC3=CC[N@@H+](C)CC3)c2c1 ZINC000292013599 198134226 /nfs/dbraw/zinc/13/42/26/198134226.db2.gz SEXROWNEQWFZLO-UHFFFAOYSA-N 1 1 292.386 3.089 20 30 CGEDMO Cc1cnc(CC[N@H+](C)CC#Cc2ccc(F)cc2)s1 ZINC000157412587 188316030 /nfs/dbraw/zinc/31/60/30/188316030.db2.gz PPUQPIZKXDSVFF-UHFFFAOYSA-N 1 1 288.391 3.117 20 30 CGEDMO COc1ccccc1[C@@H]1CC[N@@H+](CCCCC#N)C1 ZINC000158093326 188356411 /nfs/dbraw/zinc/35/64/11/188356411.db2.gz ZOQVRRBVEOWVNC-CQSZACIVSA-N 1 1 258.365 3.178 20 30 CGEDMO N#CC1(CC[N@H+]2CCC[C@@]3(CCOC3)C2)CCCCC1 ZINC000334637180 283045837 /nfs/dbraw/zinc/04/58/37/283045837.db2.gz DVWCJFOXZVBQSN-QGZVFWFLSA-N 1 1 276.424 3.353 20 30 CGEDMO N#CC1CCC(C[NH2+][C@@H]2C[C@@H](N)c3ccccc32)CC1 ZINC000335024159 283050174 /nfs/dbraw/zinc/05/01/74/283050174.db2.gz XBJHWKYWWFZPHC-DNDXXGFKSA-N 1 1 269.392 3.051 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2C2CCCC2)nc1 ZINC000514704816 283140870 /nfs/dbraw/zinc/14/08/70/283140870.db2.gz SISSEFAFQNKZKF-INIZCTEOSA-N 1 1 255.365 3.108 20 30 CGEDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000125531589 138383425 /nfs/dbraw/zinc/38/34/25/138383425.db2.gz YEBQASPQRIREDU-CYBMUJFWSA-N 1 1 298.361 3.466 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@@H]3CCCOC3)CC2)cc1 ZINC000336244783 213077633 /nfs/dbraw/zinc/07/76/33/213077633.db2.gz AJDHAGREOFYEFU-INIZCTEOSA-N 1 1 282.387 3.074 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(CO)cc1 ZINC000425528969 236256939 /nfs/dbraw/zinc/25/69/39/236256939.db2.gz AERLVHWBZHYNQH-CQSZACIVSA-N 1 1 280.371 3.244 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCc1cscn1 ZINC000425536649 236257712 /nfs/dbraw/zinc/25/77/12/236257712.db2.gz PCFOACMLYREJRD-GFCCVEGCSA-N 1 1 271.389 3.250 20 30 CGEDMO C[C@@H]1Cc2c([nH+]cn2Cc2cc(F)ccc2C#N)C[C@@H]1C ZINC000296121044 199789763 /nfs/dbraw/zinc/78/97/63/199789763.db2.gz YLLVRSILMQNLMP-NWDGAFQWSA-N 1 1 283.350 3.313 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCOC1CCC1 ZINC000425542503 236258904 /nfs/dbraw/zinc/25/89/04/236258904.db2.gz YFOALNSSLFVUCZ-CYBMUJFWSA-N 1 1 258.365 3.120 20 30 CGEDMO CO[C@]1(C)C[C@@H]([N@H+](C)Cc2cccc(F)c2C#N)C1(C)C ZINC000428255552 236385701 /nfs/dbraw/zinc/38/57/01/236385701.db2.gz KSJKRSKLYVARPK-NVXWUHKLSA-N 1 1 290.382 3.333 20 30 CGEDMO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2cccc(F)c2C#N)C1(C)C ZINC000428255552 236385703 /nfs/dbraw/zinc/38/57/03/236385703.db2.gz KSJKRSKLYVARPK-NVXWUHKLSA-N 1 1 290.382 3.333 20 30 CGEDMO Clc1ccc(C#CC[N@@H+](C[C@@H]2CCOC2)C2CC2)cc1 ZINC000177028106 189021735 /nfs/dbraw/zinc/02/17/35/189021735.db2.gz IBACKKGBNKETGC-HNNXBMFYSA-N 1 1 289.806 3.192 20 30 CGEDMO C=CCCCC(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000177445335 189051678 /nfs/dbraw/zinc/05/16/78/189051678.db2.gz YWCHDYVKUPJGRA-WBVHZDCISA-N 1 1 286.419 3.122 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@]3(C2)CCCOC3)c(Cl)c1 ZINC000341977715 216174967 /nfs/dbraw/zinc/17/49/67/216174967.db2.gz MUIPOAMXPFYWRU-INIZCTEOSA-N 1 1 290.794 3.214 20 30 CGEDMO CC[N@@H+](CCc1nccs1)Cc1ccccc1C#N ZINC000179040428 189164191 /nfs/dbraw/zinc/16/41/91/189164191.db2.gz KPLMASPOUKMMFI-UHFFFAOYSA-N 1 1 271.389 3.079 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@H]2c2cccn2C)cc1C#N ZINC000179233772 189179418 /nfs/dbraw/zinc/17/94/18/189179418.db2.gz WMFZMGIQAGUVSV-KRWDZBQOSA-N 1 1 295.386 3.242 20 30 CGEDMO CO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)c(F)c2)C12CCC2 ZINC000451829902 240368198 /nfs/dbraw/zinc/36/81/98/240368198.db2.gz BSLLUGJEIPTUIL-HZPDHXFCSA-N 1 1 288.366 3.087 20 30 CGEDMO N#Cc1ccc(C[N@@H+](C[C@H]2CCOC2)C2CC2)c(Cl)c1 ZINC000439441133 238256033 /nfs/dbraw/zinc/25/60/33/238256033.db2.gz PEFLSGPREBQTNC-CYBMUJFWSA-N 1 1 290.794 3.213 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@@H]1C ZINC000180254585 189246816 /nfs/dbraw/zinc/24/68/16/189246816.db2.gz GGXJWECEFBFQHX-ZIAGYGMSSA-N 1 1 294.402 3.189 20 30 CGEDMO CCCC[N@H+]1CCCC[C@H]1CNc1ncccc1C#N ZINC000301123115 200920409 /nfs/dbraw/zinc/92/04/09/200920409.db2.gz NEEVICZIGJCODL-HNNXBMFYSA-N 1 1 272.396 3.020 20 30 CGEDMO CN(CC[C@H]1CCCC[N@H+]1C)c1cccc(F)c1C#N ZINC000301446061 201010768 /nfs/dbraw/zinc/01/07/68/201010768.db2.gz JXCFJSUZOOYHJJ-CYBMUJFWSA-N 1 1 275.371 3.008 20 30 CGEDMO C[C@H](NCc1ccc(C#N)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183100423 189347107 /nfs/dbraw/zinc/34/71/07/189347107.db2.gz SDNDBMDEEYEZDF-MAUKXSAKSA-N 1 1 297.446 3.301 20 30 CGEDMO C[C@H](NCc1ccc(C#N)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183100423 189347108 /nfs/dbraw/zinc/34/71/08/189347108.db2.gz SDNDBMDEEYEZDF-MAUKXSAKSA-N 1 1 297.446 3.301 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCNc1nc2c(cc1C#N)CCCC2 ZINC000301885638 201248451 /nfs/dbraw/zinc/24/84/51/201248451.db2.gz LZYFWOHIODQCLZ-CQSZACIVSA-N 1 1 298.434 3.118 20 30 CGEDMO CC(=O)c1ccc(C#N)cc1NCCC[N@@H+]1CCCC[C@H]1C ZINC000302109720 201343538 /nfs/dbraw/zinc/34/35/38/201343538.db2.gz OYKZUNLKVCBOTR-CQSZACIVSA-N 1 1 299.418 3.437 20 30 CGEDMO CC1=CC[N@@H+](CCNc2ccc3cc(C#N)ccc3n2)CC1 ZINC000302141462 201361872 /nfs/dbraw/zinc/36/18/72/201361872.db2.gz HBZIQRLOEPCKSH-UHFFFAOYSA-N 1 1 292.386 3.170 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1ccc(C#N)cc1 ZINC000302149637 201368021 /nfs/dbraw/zinc/36/80/21/201368021.db2.gz AVFKXPCHBBRNJO-KXBFYZLASA-N 1 1 291.398 3.491 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](C)C[C@@H]2CCCOC2)c1 ZINC000119740967 370704195 /nfs/dbraw/zinc/70/41/95/370704195.db2.gz USHKZZKQJPLYPB-INIZCTEOSA-N 1 1 275.392 3.110 20 30 CGEDMO C[C@H]1CCC(C)(C)[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000452016917 240396134 /nfs/dbraw/zinc/39/61/34/240396134.db2.gz WSEHQOFXNMTVHP-ZDUSSCGKSA-N 1 1 285.391 3.150 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccccn1 ZINC000275759219 193121976 /nfs/dbraw/zinc/12/19/76/193121976.db2.gz XRKKRBOXXQNDJR-ZDUSSCGKSA-N 1 1 251.333 3.146 20 30 CGEDMO C=CC[N@@H+](C)CCC(=O)Nc1cccc2ccccc21 ZINC000121346066 370853448 /nfs/dbraw/zinc/85/34/48/370853448.db2.gz CIGSPLSTNATZRD-UHFFFAOYSA-N 1 1 268.360 3.286 20 30 CGEDMO C[C@]1(CN[C@@H]2CCCCc3cc(C#N)ccc32)CCC[NH2+]C1 ZINC000423343093 291390053 /nfs/dbraw/zinc/39/00/53/291390053.db2.gz NMYVJUYIJWJBIG-MOPGFXCFSA-N 1 1 297.446 3.305 20 30 CGEDMO CN(CC[C@H]1CCCC[N@H+]1C)Cc1ccc(F)c(C#N)c1 ZINC000121542117 370871906 /nfs/dbraw/zinc/87/19/06/370871906.db2.gz ZTABPDKSJJEBEB-MRXNPFEDSA-N 1 1 289.398 3.004 20 30 CGEDMO CCC[C@@H](C)[C@@H]1CCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000486767516 243370872 /nfs/dbraw/zinc/37/08/72/243370872.db2.gz AMXSKYQGJPDUHO-PBHICJAKSA-N 1 1 299.418 3.397 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)CCc1ccncc1 ZINC000126245508 370944419 /nfs/dbraw/zinc/94/44/19/370944419.db2.gz BMPOZKUZNYLFRH-UHFFFAOYSA-N 1 1 266.388 3.355 20 30 CGEDMO CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000030142572 368900986 /nfs/dbraw/zinc/90/09/86/368900986.db2.gz JZFBAMIJBODRPO-UONOGXRCSA-N 1 1 285.391 3.007 20 30 CGEDMO Cc1ccc(C[N@@H+](C)CCOc2ccc(C#N)cc2)cc1 ZINC000034651761 368976909 /nfs/dbraw/zinc/97/69/09/368976909.db2.gz JTUQUVSNINQGIJ-UHFFFAOYSA-N 1 1 280.371 3.378 20 30 CGEDMO CCC[C@@H](C)[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000036790614 369028509 /nfs/dbraw/zinc/02/85/09/369028509.db2.gz LYHLBPDITJEBDW-CYBMUJFWSA-N 1 1 273.380 3.007 20 30 CGEDMO CCN(CCC#N)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000127646513 370954340 /nfs/dbraw/zinc/95/43/40/370954340.db2.gz BDVYYEIOAKMPHY-UHFFFAOYSA-N 1 1 287.451 3.380 20 30 CGEDMO CC(C)[N@H+]1CCCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000276155902 193229069 /nfs/dbraw/zinc/22/90/69/193229069.db2.gz RMVOEBIUKHMVEU-HNNXBMFYSA-N 1 1 271.408 3.035 20 30 CGEDMO C=CCC[N@H+](C)Cc1c(C2CC2)nc2sccn12 ZINC000276159771 193230382 /nfs/dbraw/zinc/23/03/82/193230382.db2.gz QKLQFVNLURNDCE-UHFFFAOYSA-N 1 1 261.394 3.281 20 30 CGEDMO C=CCC[N@H+](C)Cc1coc(-c2ccc(OC)cc2)n1 ZINC000276406436 193318289 /nfs/dbraw/zinc/31/82/89/193318289.db2.gz LGMYIGJGIJBRCF-UHFFFAOYSA-N 1 1 272.348 3.358 20 30 CGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)CC1CCCC1 ZINC000064021334 369650382 /nfs/dbraw/zinc/65/03/82/369650382.db2.gz SIBLUJCSMQCIFU-CYBMUJFWSA-N 1 1 285.391 3.007 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)CC1CCN(c2ccccn2)CC1 ZINC000076108967 369930465 /nfs/dbraw/zinc/93/04/65/369930465.db2.gz QNAQRPYBDJRBJE-UHFFFAOYSA-N 1 1 293.842 3.372 20 30 CGEDMO C[C@H]1CC[C@H](C)[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000076148764 369932343 /nfs/dbraw/zinc/93/23/43/369932343.db2.gz SXHMBQHOKPYWBK-STQMWFEESA-N 1 1 296.374 3.229 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000076801631 369943651 /nfs/dbraw/zinc/94/36/51/369943651.db2.gz ZBESUVHLRYAQLO-CQSZACIVSA-N 1 1 293.411 3.378 20 30 CGEDMO C[C@@H]1CN(Cc2ccccc2)CCC[N@H+]1CCCCC#N ZINC000077371720 369946576 /nfs/dbraw/zinc/94/65/76/369946576.db2.gz HAAKKJAPWMZMEI-QGZVFWFLSA-N 1 1 285.435 3.277 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1CCCCC#N ZINC000077371720 369946581 /nfs/dbraw/zinc/94/65/81/369946581.db2.gz HAAKKJAPWMZMEI-QGZVFWFLSA-N 1 1 285.435 3.277 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1CCCCC#N ZINC000077371720 369946586 /nfs/dbraw/zinc/94/65/86/369946586.db2.gz HAAKKJAPWMZMEI-QGZVFWFLSA-N 1 1 285.435 3.277 20 30 CGEDMO CCOc1ccc(C2=CC[N@@H+](CCCC#N)CC2)cc1 ZINC000091810665 370077008 /nfs/dbraw/zinc/07/70/08/370077008.db2.gz ZQULMDMFFLMTGZ-UHFFFAOYSA-N 1 1 270.376 3.478 20 30 CGEDMO CC[N@@H+](Cc1ccc(OCC(F)F)cc1)C[C@H](C)C#N ZINC000091982713 370083124 /nfs/dbraw/zinc/08/31/24/370083124.db2.gz YBBYHBVZDMZQGG-GFCCVEGCSA-N 1 1 282.334 3.312 20 30 CGEDMO CC[N@H+](Cc1ccc(OCC(F)F)cc1)C[C@H](C)C#N ZINC000091982713 370083129 /nfs/dbraw/zinc/08/31/29/370083129.db2.gz YBBYHBVZDMZQGG-GFCCVEGCSA-N 1 1 282.334 3.312 20 30 CGEDMO CC[N@H+](C/C=C/c1ccccc1OC)C[C@@H](C)C#N ZINC000091983367 370085544 /nfs/dbraw/zinc/08/55/44/370085544.db2.gz QVQYZXIMZZNBBP-KGXGESDWSA-N 1 1 258.365 3.190 20 30 CGEDMO CC[N@@H+](C/C=C/c1ccccc1OC)C[C@@H](C)C#N ZINC000091983367 370085547 /nfs/dbraw/zinc/08/55/47/370085547.db2.gz QVQYZXIMZZNBBP-KGXGESDWSA-N 1 1 258.365 3.190 20 30 CGEDMO CC[N@@H+](Cc1ccc(Oc2cnccn2)cc1)C[C@H](C)C#N ZINC000091984012 370086078 /nfs/dbraw/zinc/08/60/78/370086078.db2.gz AHWTYFBVLSELDC-CQSZACIVSA-N 1 1 296.374 3.250 20 30 CGEDMO CC[N@H+](Cc1ccc(Oc2cnccn2)cc1)C[C@H](C)C#N ZINC000091984012 370086083 /nfs/dbraw/zinc/08/60/83/370086083.db2.gz AHWTYFBVLSELDC-CQSZACIVSA-N 1 1 296.374 3.250 20 30 CGEDMO N#Cc1cccc(OC2CC[NH+](Cc3cncs3)CC2)c1 ZINC000092034237 370090357 /nfs/dbraw/zinc/09/03/57/370090357.db2.gz NHVFCKHMLHOUON-UHFFFAOYSA-N 1 1 299.399 3.058 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](COCC)C2)cc1 ZINC000093418875 370126485 /nfs/dbraw/zinc/12/64/85/370126485.db2.gz HTJVCFARNJKZID-QGZVFWFLSA-N 1 1 289.419 3.500 20 30 CGEDMO CC[N@@H+](CCC(=O)Nc1sccc1C#N)[C@H](C)C(C)C ZINC000109025636 370360161 /nfs/dbraw/zinc/36/01/61/370360161.db2.gz RMHWBHPCRMEQNU-GFCCVEGCSA-N 1 1 293.436 3.315 20 30 CGEDMO CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000117345216 370587592 /nfs/dbraw/zinc/58/75/92/370587592.db2.gz BGDPYHOKCAXMKQ-LSDHHAIUSA-N 1 1 299.418 3.397 20 30 CGEDMO COc1ccc(C#N)cc1C[NH+]1CCC(C(F)(F)F)CC1 ZINC000130476310 371036386 /nfs/dbraw/zinc/03/63/86/371036386.db2.gz BVXYKWBYCPHOGI-UHFFFAOYSA-N 1 1 298.308 3.341 20 30 CGEDMO C=CC[N@H+](Cc1cc(OC)c(OC)cc1OC)C(C)(C)C ZINC000131966160 371143564 /nfs/dbraw/zinc/14/35/64/371143564.db2.gz ZEGFYMSGWBTCPG-UHFFFAOYSA-N 1 1 293.407 3.499 20 30 CGEDMO CCCC[N@@H+](CC)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000131790915 371130521 /nfs/dbraw/zinc/13/05/21/371130521.db2.gz GVNYECLMHQTPQM-UHFFFAOYSA-N 1 1 293.436 3.297 20 30 CGEDMO C=CCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000133114232 371227294 /nfs/dbraw/zinc/22/72/94/371227294.db2.gz UIKLBNTXNABWIZ-JKSUJKDBSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000133114232 371227296 /nfs/dbraw/zinc/22/72/96/371227296.db2.gz UIKLBNTXNABWIZ-JKSUJKDBSA-N 1 1 250.430 3.149 20 30 CGEDMO C[N@H+](Cc1nc2cc(F)ccc2o1)Cc1cccc(C#N)c1 ZINC000132810060 371203189 /nfs/dbraw/zinc/20/31/89/371203189.db2.gz WNVOVIYUWJLXMB-UHFFFAOYSA-N 1 1 295.317 3.471 20 30 CGEDMO C[N@@H+](Cc1nc2cc(F)ccc2o1)Cc1cccc(C#N)c1 ZINC000132810060 371203193 /nfs/dbraw/zinc/20/31/93/371203193.db2.gz WNVOVIYUWJLXMB-UHFFFAOYSA-N 1 1 295.317 3.471 20 30 CGEDMO C=CCCN1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000133114232 371227299 /nfs/dbraw/zinc/22/72/99/371227299.db2.gz UIKLBNTXNABWIZ-JKSUJKDBSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CCCN1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000133114232 371227301 /nfs/dbraw/zinc/22/73/01/371227301.db2.gz UIKLBNTXNABWIZ-JKSUJKDBSA-N 1 1 250.430 3.149 20 30 CGEDMO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)CCCCC#N ZINC000134229215 371313512 /nfs/dbraw/zinc/31/35/12/371313512.db2.gz MFVMOQGVGPWSIP-BBRMVZONSA-N 1 1 258.365 3.004 20 30 CGEDMO COc1ccc(C[N@H+]2CCCC[C@H](SC)C2)cc1C#N ZINC000135216009 371401087 /nfs/dbraw/zinc/40/10/87/371401087.db2.gz YRKILPDYISEAPH-HNNXBMFYSA-N 1 1 290.432 3.284 20 30 CGEDMO CSC[C@@H]1CCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000135471864 371430684 /nfs/dbraw/zinc/43/06/84/371430684.db2.gz UIKFNLGVUJXSCC-HNNXBMFYSA-N 1 1 290.432 3.155 20 30 CGEDMO CCC1(CC)[C@H]([N@@H+](C)CCCSCC#N)C[C@@H]1OC ZINC000140656706 371512797 /nfs/dbraw/zinc/51/27/97/371512797.db2.gz HTJIEULPGAEBJE-KGLIPLIRSA-N 1 1 284.469 3.159 20 30 CGEDMO C=CCCC[N@@H+]1CCn2c(C3CCCC3)nnc2[C@@H]1C ZINC000286724044 371544281 /nfs/dbraw/zinc/54/42/81/371544281.db2.gz BGJKIQYCYKFDKF-ZDUSSCGKSA-N 1 1 274.412 3.279 20 30 CGEDMO C=CCCC[N@H+]1CCn2c(C3CCCC3)nnc2[C@@H]1C ZINC000286724044 371544287 /nfs/dbraw/zinc/54/42/87/371544287.db2.gz BGJKIQYCYKFDKF-ZDUSSCGKSA-N 1 1 274.412 3.279 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000344030568 217016534 /nfs/dbraw/zinc/01/65/34/217016534.db2.gz BYEZTJLMQSANDO-CQSZACIVSA-N 1 1 270.376 3.355 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000151872308 371646197 /nfs/dbraw/zinc/64/61/97/371646197.db2.gz BIVNIRQEPXQAHO-DLBZAZTESA-N 1 1 296.370 3.239 20 30 CGEDMO CCC[N@@H+](CCC#N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000152617695 371709868 /nfs/dbraw/zinc/70/98/68/371709868.db2.gz UNVIKSIUKGSMES-UHFFFAOYSA-N 1 1 295.427 3.012 20 30 CGEDMO C=CC1CC[NH+](Cc2nc(C3CCCC3)no2)CC1 ZINC000153415115 371767011 /nfs/dbraw/zinc/76/70/11/371767011.db2.gz NACQQCMYLNIJQC-UHFFFAOYSA-N 1 1 261.369 3.125 20 30 CGEDMO CCCC[C@@H](C)[N@@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000289746957 371809121 /nfs/dbraw/zinc/80/91/21/371809121.db2.gz FFCAFPMCTASITB-LLVKDONJSA-N 1 1 291.395 3.217 20 30 CGEDMO COc1cccc(OCC[N@H+](CCC#N)CC(C)(C)C)c1 ZINC000154097591 371818072 /nfs/dbraw/zinc/81/80/72/371818072.db2.gz MRNVAJSPIKFDBM-UHFFFAOYSA-N 1 1 290.407 3.336 20 30 CGEDMO COc1cccc(OCC[N@@H+](CCC#N)CC(C)(C)C)c1 ZINC000154097591 371818085 /nfs/dbraw/zinc/81/80/85/371818085.db2.gz MRNVAJSPIKFDBM-UHFFFAOYSA-N 1 1 290.407 3.336 20 30 CGEDMO Cc1ccn2cc(C[NH2+][C@@H](C)c3ccc(C#N)cc3)nc2c1 ZINC000344072466 217036826 /nfs/dbraw/zinc/03/68/26/217036826.db2.gz KQZZORMZAKUFKZ-AWEZNQCLSA-N 1 1 290.370 3.365 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1F)C[C@@H]1CC=CCC1 ZINC000344090660 217047341 /nfs/dbraw/zinc/04/73/41/217047341.db2.gz UVVLKVGGAGXORP-CYBMUJFWSA-N 1 1 258.340 3.485 20 30 CGEDMO CN(C)c1ccccc1C[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000344134752 217066263 /nfs/dbraw/zinc/06/62/63/217066263.db2.gz ZJTZUUFCZNMULQ-UHFFFAOYSA-N 1 1 297.377 3.395 20 30 CGEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000344131299 217067475 /nfs/dbraw/zinc/06/74/75/217067475.db2.gz WIBVMWZDIBKISJ-UHFFFAOYSA-N 1 1 298.361 3.346 20 30 CGEDMO C#CC[N@@H+](CC(=O)Nc1c(C)cc(C)cc1C)C1CCCC1 ZINC000155836935 371948495 /nfs/dbraw/zinc/94/84/95/371948495.db2.gz JBFJMTYITRWNLW-UHFFFAOYSA-N 1 1 298.430 3.428 20 30 CGEDMO C#CC[N@H+](CC(=O)Nc1c(C)cc(C)cc1C)C1CCCC1 ZINC000155836935 371948504 /nfs/dbraw/zinc/94/85/04/371948504.db2.gz JBFJMTYITRWNLW-UHFFFAOYSA-N 1 1 298.430 3.428 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cncc(OC)c1 ZINC000290487595 372001096 /nfs/dbraw/zinc/00/10/96/372001096.db2.gz XPHACSCGFWHROX-UHFFFAOYSA-N 1 1 295.386 3.374 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000157916903 372042473 /nfs/dbraw/zinc/04/24/73/372042473.db2.gz COOMCOQBIBXRCA-HNNXBMFYSA-N 1 1 257.381 3.113 20 30 CGEDMO CC#CCC[N@@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000158041416 372047567 /nfs/dbraw/zinc/04/75/67/372047567.db2.gz CPJKDIWXKNBZDO-OAHLLOKOSA-N 1 1 297.320 3.492 20 30 CGEDMO CC#CCC[N@H+]1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000158041416 372047573 /nfs/dbraw/zinc/04/75/73/372047573.db2.gz CPJKDIWXKNBZDO-OAHLLOKOSA-N 1 1 297.320 3.492 20 30 CGEDMO C=CCOc1ccc(C[NH+]2CC(CC(F)F)C2)cc1OC ZINC000425348295 372122708 /nfs/dbraw/zinc/12/27/08/372122708.db2.gz CECHQLVDOCTCDM-UHFFFAOYSA-N 1 1 297.345 3.347 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000291114441 372118974 /nfs/dbraw/zinc/11/89/74/372118974.db2.gz KRYCMJOKDXEKIF-ZDUSSCGKSA-N 1 1 273.298 3.247 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cccc(-n2cccn2)c1 ZINC000158989471 372096335 /nfs/dbraw/zinc/09/63/35/372096335.db2.gz UDCCUUUNPCGYPU-UHFFFAOYSA-N 1 1 255.365 3.270 20 30 CGEDMO C[C@@H]1CC[C@](CO)([N@@H+](C)CC#Cc2cccc(Cl)c2)C1 ZINC000425918044 372144252 /nfs/dbraw/zinc/14/42/52/372144252.db2.gz LNUIRCVZMLZGSP-PBHICJAKSA-N 1 1 291.822 3.174 20 30 CGEDMO CCCC[N@@H+](C)C[C@@H](C)Nc1snc(Cl)c1C#N ZINC000291250019 372147030 /nfs/dbraw/zinc/14/70/30/372147030.db2.gz YGOZSLNDNQSBGQ-SECBINFHSA-N 1 1 286.832 3.200 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H]3CCC[C@@H]32)c1C ZINC000426471888 372159751 /nfs/dbraw/zinc/15/97/51/372159751.db2.gz XLRCPQIZZQGWPO-WBVHZDCISA-N 1 1 286.419 3.348 20 30 CGEDMO CC#CC[NH2+][C@@H](CC)c1nc(C(F)(F)F)cs1 ZINC000159742201 372175917 /nfs/dbraw/zinc/17/59/17/372175917.db2.gz XSOMPLMTIPXSNY-QMMMGPOBSA-N 1 1 262.300 3.226 20 30 CGEDMO CC[C@]1(C)CC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000344236292 217111631 /nfs/dbraw/zinc/11/16/31/217111631.db2.gz JVGFSEMLLJVNNH-QGZVFWFLSA-N 1 1 267.376 3.433 20 30 CGEDMO C=C(C)CC[N@@H+](CC1CC1)[C@@](C)(CC)C(=O)OC ZINC000425505863 372129673 /nfs/dbraw/zinc/12/96/73/372129673.db2.gz BSEIXTQMPITTPU-HNNXBMFYSA-N 1 1 253.386 3.006 20 30 CGEDMO C[C@H]1CCC[N@@H+](CCCCC#N)[C@H]1C(=O)OC(C)(C)C ZINC000425525383 372130925 /nfs/dbraw/zinc/13/09/25/372130925.db2.gz TZIQOJQIXMGEFQ-UONOGXRCSA-N 1 1 280.412 3.122 20 30 CGEDMO C=CCc1cc(C[N@@H+]2CC[C@H]2CC)cc(OC)c1O ZINC000292820532 372218530 /nfs/dbraw/zinc/21/85/30/372218530.db2.gz PWBRJKKDVHJUNC-CQSZACIVSA-N 1 1 261.365 3.114 20 30 CGEDMO C[C@@H]1CN(c2ccc(F)cc2C#N)CC[N@H+](C2CCC2)C1 ZINC000292405285 372190146 /nfs/dbraw/zinc/19/01/46/372190146.db2.gz VEYSVTDYOSQXDD-ZDUSSCGKSA-N 1 1 287.382 3.008 20 30 CGEDMO CC(C)[C@]1(CO)CCC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000292906411 372244470 /nfs/dbraw/zinc/24/44/70/372244470.db2.gz ATWVOLQOQYHHCE-MAUKXSAKSA-N 1 1 286.419 3.350 20 30 CGEDMO C[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000428785654 372264228 /nfs/dbraw/zinc/26/42/28/372264228.db2.gz VEHLWIYDEWUHOR-HLLBOEOZSA-N 1 1 299.418 3.233 20 30 CGEDMO CC1(C)C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)[C@H]2CCC[C@H]21 ZINC000292990051 372271423 /nfs/dbraw/zinc/27/14/23/372271423.db2.gz ICRCETUMSVIOCB-IKGGRYGDSA-N 1 1 284.403 3.102 20 30 CGEDMO C[N@@H+](CCc1cccs1)Cc1cc(F)ccc1C#N ZINC000160852465 372281040 /nfs/dbraw/zinc/28/10/40/372281040.db2.gz OKKWRFDQNYVOSH-UHFFFAOYSA-N 1 1 274.364 3.433 20 30 CGEDMO C=CC[N@H+](CCOC)C[C@@H](OC(C)C)c1ccccc1 ZINC000428942104 372287441 /nfs/dbraw/zinc/28/74/41/372287441.db2.gz MNISXHHHIIJNAD-QGZVFWFLSA-N 1 1 277.408 3.287 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000429224321 372324269 /nfs/dbraw/zinc/32/42/69/372324269.db2.gz BBLJOWLYSYLIGP-HOCLYGCPSA-N 1 1 251.414 3.480 20 30 CGEDMO C#CC[N@@H+](Cc1nnc(-c2cc(C)oc2C)o1)C1CCCC1 ZINC000162243321 372384032 /nfs/dbraw/zinc/38/40/32/372384032.db2.gz GPRYIYYCOKBMII-UHFFFAOYSA-N 1 1 299.374 3.324 20 30 CGEDMO C#CC[N@H+](Cc1nnc(-c2cc(C)oc2C)o1)C1CCCC1 ZINC000162243321 372384037 /nfs/dbraw/zinc/38/40/37/372384037.db2.gz GPRYIYYCOKBMII-UHFFFAOYSA-N 1 1 299.374 3.324 20 30 CGEDMO C[C@H]1C[N@H+](Cc2cc(C#N)cs2)Cc2ccccc2O1 ZINC000430118207 372384293 /nfs/dbraw/zinc/38/42/93/372384293.db2.gz DAOMJUWMMLIYNC-LBPRGKRZSA-N 1 1 284.384 3.403 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cc(C#N)cs2)Cc2ccccc2O1 ZINC000430118207 372384297 /nfs/dbraw/zinc/38/42/97/372384297.db2.gz DAOMJUWMMLIYNC-LBPRGKRZSA-N 1 1 284.384 3.403 20 30 CGEDMO C=CC[N@@H+](CCOC)CCSCc1ccccc1 ZINC000430773559 372395419 /nfs/dbraw/zinc/39/54/19/372395419.db2.gz VHAIXRPLBMWFSJ-UHFFFAOYSA-N 1 1 265.422 3.054 20 30 CGEDMO Cc1ccccc1N1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000162445564 372397077 /nfs/dbraw/zinc/39/70/77/372397077.db2.gz LKWZNFQYZRLZSS-UHFFFAOYSA-N 1 1 297.427 3.250 20 30 CGEDMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCOCCC#N ZINC000293627627 372429472 /nfs/dbraw/zinc/42/94/72/372429472.db2.gz WOZBDJRWKRIKRU-LBPRGKRZSA-N 1 1 266.772 3.263 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2csc(Br)c2)o1 ZINC000164426434 372517636 /nfs/dbraw/zinc/51/76/36/372517636.db2.gz AVDKRKGKSSQSNY-UHFFFAOYSA-N 1 1 297.177 3.265 20 30 CGEDMO C=CCC(C)(C)CNC(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC000432080747 372533177 /nfs/dbraw/zinc/53/31/77/372533177.db2.gz QGAJSHUVJUJLNU-HNNXBMFYSA-N 1 1 295.471 3.152 20 30 CGEDMO C=CCOCCC[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433072007 372579984 /nfs/dbraw/zinc/57/99/84/372579984.db2.gz MNHJOTKVPJLWRZ-KRWDZBQOSA-N 1 1 259.393 3.459 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000433051098 372580570 /nfs/dbraw/zinc/58/05/70/372580570.db2.gz GCUFICVXXBKVTQ-DOTOQJQBSA-N 1 1 261.409 3.267 20 30 CGEDMO C[C@H]1CCCC[C@H]1OCC[N@H+](C)CC(C)(C)C#N ZINC000433309781 372588358 /nfs/dbraw/zinc/58/83/58/372588358.db2.gz CXJIVVPMMHBEHE-UONOGXRCSA-N 1 1 252.402 3.063 20 30 CGEDMO C[C@H]1CCCC[C@H]1OCC[N@@H+](C)CC(C)(C)C#N ZINC000433309781 372588364 /nfs/dbraw/zinc/58/83/64/372588364.db2.gz CXJIVVPMMHBEHE-UONOGXRCSA-N 1 1 252.402 3.063 20 30 CGEDMO N#Cc1ccc2c(c1)[C@H](NCCC[NH+]1CCCCC1)CC2 ZINC000353390084 220058463 /nfs/dbraw/zinc/05/84/63/220058463.db2.gz TZTPPZBMNFZXHU-GOSISDBHSA-N 1 1 283.419 3.011 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CC[C@](C)(c2ccc(C)cc2)C1 ZINC000434756240 372708384 /nfs/dbraw/zinc/70/83/84/372708384.db2.gz YRVZQDMIYFCEMA-MSOLQXFVSA-N 1 1 273.420 3.286 20 30 CGEDMO CC(C)[C@@H](CN[C@@H]1CCc2ccc(C#N)cc21)[NH+]1CCCC1 ZINC000353411163 220070166 /nfs/dbraw/zinc/07/01/66/220070166.db2.gz JVVSPJGWKNWGES-RTBURBONSA-N 1 1 297.446 3.256 20 30 CGEDMO N#CCCCC[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000171620593 372798244 /nfs/dbraw/zinc/79/82/44/372798244.db2.gz JTFLUYBVGOHLGM-UHFFFAOYSA-N 1 1 253.349 3.220 20 30 CGEDMO N#C[C@@H]1CCC[C@H]1[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000438003621 372861394 /nfs/dbraw/zinc/86/13/94/372861394.db2.gz XEDDMWXKLXWKOT-IINYFYTJSA-N 1 1 257.312 3.089 20 30 CGEDMO C=CC[N@H+](CCC(=O)N1CCC[C@@H]1C)Cc1cccs1 ZINC000438797305 372970780 /nfs/dbraw/zinc/97/07/80/372970780.db2.gz YNNGBBBLODKDQB-AWEZNQCLSA-N 1 1 292.448 3.137 20 30 CGEDMO CCOc1ccc2c(c1)CC[N@H+](CCCCC#N)C2 ZINC000441077589 372996106 /nfs/dbraw/zinc/99/61/06/372996106.db2.gz URAJBWMZDAJGHC-UHFFFAOYSA-N 1 1 258.365 3.137 20 30 CGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H](C)[C@H]1C ZINC000172863140 373051913 /nfs/dbraw/zinc/05/19/13/373051913.db2.gz BHYRUMKEZZNFPY-UONOGXRCSA-N 1 1 288.391 3.066 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([NH2+]CC2(N3CCCCC3)CCCCC2)C1 ZINC000442636028 373061073 /nfs/dbraw/zinc/06/10/73/373061073.db2.gz RNFANJYHRDWXNC-IAGOWNOFSA-N 1 1 289.467 3.457 20 30 CGEDMO Cc1cc(CNC[C@H](C)C[NH+]2CCCCC2)ccc1C#N ZINC000443979600 373164720 /nfs/dbraw/zinc/16/47/20/373164720.db2.gz KYADFIOEQBXOAA-HNNXBMFYSA-N 1 1 285.435 3.078 20 30 CGEDMO COc1cc(C[N@H+]2CCS[C@H](C(C)C)C2)ccc1C#N ZINC000442889131 373122137 /nfs/dbraw/zinc/12/21/37/373122137.db2.gz JBSJVIMEORSEDB-INIZCTEOSA-N 1 1 290.432 3.140 20 30 CGEDMO CCCC[N@@H+](CC)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000173460997 373143944 /nfs/dbraw/zinc/14/39/44/373143944.db2.gz FVGXHLUFQCPAPM-UHFFFAOYSA-N 1 1 284.363 3.230 20 30 CGEDMO CCc1ccccc1CC[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000444661705 373224785 /nfs/dbraw/zinc/22/47/85/373224785.db2.gz HYESSPDJJKMAIN-AWEZNQCLSA-N 1 1 256.393 3.416 20 30 CGEDMO CCc1ccccc1CC[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000444661705 373224791 /nfs/dbraw/zinc/22/47/91/373224791.db2.gz HYESSPDJJKMAIN-AWEZNQCLSA-N 1 1 256.393 3.416 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2ncc(C)cn2)CCCC1(C)C ZINC000444785556 373275373 /nfs/dbraw/zinc/27/53/73/373275373.db2.gz YOILREUQRUFENF-AWEZNQCLSA-N 1 1 259.397 3.352 20 30 CGEDMO C[C@@H](c1cnn(C)c1)[N@@H+](C)CCCCC(C)(C)C#N ZINC000444690958 373236108 /nfs/dbraw/zinc/23/61/08/373236108.db2.gz WEGNYOFSFKLUNA-ZDUSSCGKSA-N 1 1 262.401 3.133 20 30 CGEDMO CC(C)Oc1ccc(C[NH2+]Cc2ccc(C#N)o2)cc1 ZINC000174262856 373278588 /nfs/dbraw/zinc/27/85/88/373278588.db2.gz CXAKIIDDLILQIA-UHFFFAOYSA-N 1 1 270.332 3.228 20 30 CGEDMO CCC[C@]1(CO)CCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000444770631 373266894 /nfs/dbraw/zinc/26/68/94/373266894.db2.gz FDFLQFFLJSJZKT-MRXNPFEDSA-N 1 1 292.810 3.339 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@H](c2ccccc2)[C@@H]2CCCO2)o1 ZINC000174320060 373290553 /nfs/dbraw/zinc/29/05/53/373290553.db2.gz CAFJVQQFTIIJGO-DLBZAZTESA-N 1 1 282.343 3.161 20 30 CGEDMO CC(C)([NH2+]Cc1ccc(C#N)o1)c1cccc(F)c1 ZINC000174415174 373311687 /nfs/dbraw/zinc/31/16/87/373311687.db2.gz IYWNHXIFFRIRDA-UHFFFAOYSA-N 1 1 258.296 3.315 20 30 CGEDMO C[C@@]12CC[N@H+](Cc3cc(C#N)ccc3F)C[C@@H]1C2(F)F ZINC000298453100 373332321 /nfs/dbraw/zinc/33/23/21/373332321.db2.gz ZZULBGYUESXIPY-UONOGXRCSA-N 1 1 280.293 3.174 20 30 CGEDMO C[C@@]12CC[N@@H+](Cc3cc(C#N)ccc3F)C[C@@H]1C2(F)F ZINC000298453100 373332327 /nfs/dbraw/zinc/33/23/27/373332327.db2.gz ZZULBGYUESXIPY-UONOGXRCSA-N 1 1 280.293 3.174 20 30 CGEDMO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CCCCC#N ZINC000175386182 373460877 /nfs/dbraw/zinc/46/08/77/373460877.db2.gz QWONJPZWFCZLOQ-YJYMSZOUSA-N 1 1 278.421 3.111 20 30 CGEDMO COc1cc(C[N@H+](C[C@@H](C)C#N)C2CC2)ccc1C ZINC000447731180 373478822 /nfs/dbraw/zinc/47/88/22/373478822.db2.gz MHIQEVNFXKERAU-LBPRGKRZSA-N 1 1 258.365 3.128 20 30 CGEDMO COc1cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)ccc1C ZINC000447731180 373478831 /nfs/dbraw/zinc/47/88/31/373478831.db2.gz MHIQEVNFXKERAU-LBPRGKRZSA-N 1 1 258.365 3.128 20 30 CGEDMO Cc1cc(C)c(C#N)c(NC[C@@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC000447807164 373493198 /nfs/dbraw/zinc/49/31/98/373493198.db2.gz QEOTUKQEDAODPO-HNNXBMFYSA-N 1 1 286.423 3.102 20 30 CGEDMO C[C@@H](CNc1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000301094569 373659297 /nfs/dbraw/zinc/65/92/97/373659297.db2.gz JSYKQNCZXRSSEF-KGLIPLIRSA-N 1 1 257.381 3.091 20 30 CGEDMO C[C@]1(c2ccccc2)C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC000177233364 373667648 /nfs/dbraw/zinc/66/76/48/373667648.db2.gz YMIPCORLNUMYML-LJQANCHMSA-N 1 1 292.382 3.306 20 30 CGEDMO C[C@]1(c2ccccc2)C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC000177233364 373667655 /nfs/dbraw/zinc/66/76/55/373667655.db2.gz YMIPCORLNUMYML-LJQANCHMSA-N 1 1 292.382 3.306 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](SC)C2)cc1 ZINC000449447378 373727295 /nfs/dbraw/zinc/72/72/95/373727295.db2.gz YJMSXRIPRSQUKC-HNNXBMFYSA-N 1 1 263.406 3.189 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000449452379 373735656 /nfs/dbraw/zinc/73/56/56/373735656.db2.gz ULTDRSYMDXYVKR-DLTWYDFYSA-N 1 1 258.409 3.460 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)[C@H](CO)c2ccccc2)cc1 ZINC000449453999 373737294 /nfs/dbraw/zinc/73/72/94/373737294.db2.gz NZHAOLHVDYYATH-LJQANCHMSA-N 1 1 297.398 3.417 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@@H](OC)[C@@H](C)C1 ZINC000449510987 373810165 /nfs/dbraw/zinc/81/01/65/373810165.db2.gz YANSBIBDCCCXFO-GOEBONIOSA-N 1 1 275.392 3.108 20 30 CGEDMO C[C@@H]1CSCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000178941228 373819422 /nfs/dbraw/zinc/81/94/22/373819422.db2.gz JNPBMBRLHKJLQW-GFCCVEGCSA-N 1 1 265.809 3.129 20 30 CGEDMO C[C@@H]1CSCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000178941228 373819424 /nfs/dbraw/zinc/81/94/24/373819424.db2.gz JNPBMBRLHKJLQW-GFCCVEGCSA-N 1 1 265.809 3.129 20 30 CGEDMO CC[C@@H]1CC[C@H](C)[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000449726069 373856310 /nfs/dbraw/zinc/85/63/10/373856310.db2.gz WKWWJAKEZGMJTH-UONOGXRCSA-N 1 1 282.391 3.216 20 30 CGEDMO CC[N@@H+](C)Cc1cccc(CNc2ccc(C)c(C#N)n2)c1 ZINC000302638040 373913055 /nfs/dbraw/zinc/91/30/55/373913055.db2.gz KQEKHCQOPHCDFP-UHFFFAOYSA-N 1 1 294.402 3.326 20 30 CGEDMO CC[N@@H+](Cc1cn(C)nc1-c1ccccc1)C[C@@H](C)C#N ZINC000179773220 373914838 /nfs/dbraw/zinc/91/48/38/373914838.db2.gz OHPOJTFXZROJJJ-AWEZNQCLSA-N 1 1 282.391 3.069 20 30 CGEDMO CC[N@H+](Cc1cn(C)nc1-c1ccccc1)C[C@@H](C)C#N ZINC000179773220 373914851 /nfs/dbraw/zinc/91/48/51/373914851.db2.gz OHPOJTFXZROJJJ-AWEZNQCLSA-N 1 1 282.391 3.069 20 30 CGEDMO N#Cc1csc(CN2CCC[N@H+](C3CCCC3)CC2)c1 ZINC000179772151 373915374 /nfs/dbraw/zinc/91/53/74/373915374.db2.gz BWGZRDRVJFYFDI-UHFFFAOYSA-N 1 1 289.448 3.070 20 30 CGEDMO CC[N@@H+](Cc1cn(C)nc1-c1ccccc1)C[C@H](C)C#N ZINC000179773236 373915464 /nfs/dbraw/zinc/91/54/64/373915464.db2.gz OHPOJTFXZROJJJ-CQSZACIVSA-N 1 1 282.391 3.069 20 30 CGEDMO CC[N@H+](Cc1cn(C)nc1-c1ccccc1)C[C@H](C)C#N ZINC000179773236 373915469 /nfs/dbraw/zinc/91/54/69/373915469.db2.gz OHPOJTFXZROJJJ-CQSZACIVSA-N 1 1 282.391 3.069 20 30 CGEDMO Cn1cc(C[N@@H+](C)C2CCCC2)c(-c2ccc(C#N)cc2)n1 ZINC000179893651 373936223 /nfs/dbraw/zinc/93/62/23/373936223.db2.gz TTWUPYMSNYGOKS-UHFFFAOYSA-N 1 1 294.402 3.333 20 30 CGEDMO Cc1cccnc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000180450169 374009008 /nfs/dbraw/zinc/00/90/08/374009008.db2.gz WUHWBHGFDTWDDP-UHFFFAOYSA-N 1 1 277.371 3.426 20 30 CGEDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@@]3(C#N)C[C@@H]3C)c2C1 ZINC000450273970 374034292 /nfs/dbraw/zinc/03/42/92/374034292.db2.gz FBJKOCMCDWMEOA-SCLBCKFNSA-N 1 1 297.402 3.146 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@@H+](CCCCO)C1CC1 ZINC000305160164 374080651 /nfs/dbraw/zinc/08/06/51/374080651.db2.gz RCDXOWSUGZLPRQ-UHFFFAOYSA-N 1 1 286.419 3.225 20 30 CGEDMO COC[C@@H](C#N)Nc1ccc([N@@H+]2CCCC[C@@H]2C)cc1C ZINC000181338828 374109327 /nfs/dbraw/zinc/10/93/27/374109327.db2.gz XSJSOCRDPDLNTL-LSDHHAIUSA-N 1 1 287.407 3.324 20 30 CGEDMO COC[C@@H](C#N)Nc1ccc([N@H+]2CCCC[C@@H]2C)cc1C ZINC000181338828 374109332 /nfs/dbraw/zinc/10/93/32/374109332.db2.gz XSJSOCRDPDLNTL-LSDHHAIUSA-N 1 1 287.407 3.324 20 30 CGEDMO CCOc1cccc([C@H](C)[NH2+]CC2(C#N)CCC2)c1 ZINC000450678727 374170581 /nfs/dbraw/zinc/17/05/81/374170581.db2.gz UDCOWTNLNJBVEW-ZDUSSCGKSA-N 1 1 258.365 3.430 20 30 CGEDMO CC(C)Cn1ccnc1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000181810155 374175755 /nfs/dbraw/zinc/17/57/55/374175755.db2.gz UECPBYYUJHVJHZ-AWEZNQCLSA-N 1 1 282.391 3.262 20 30 CGEDMO C[C@@H]1CCC(C)(C)[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000452003341 374215876 /nfs/dbraw/zinc/21/58/76/374215876.db2.gz GFQDDLSAAATWCC-GFCCVEGCSA-N 1 1 296.374 3.371 20 30 CGEDMO N#Cc1ccc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000309583287 374188796 /nfs/dbraw/zinc/18/87/96/374188796.db2.gz PXTQLYXJKVTBEC-MRXNPFEDSA-N 1 1 295.361 3.384 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2ccc(Cl)o2)s1 ZINC000309542110 374188900 /nfs/dbraw/zinc/18/89/00/374188900.db2.gz YPHXOCKKZZJBSP-UHFFFAOYSA-N 1 1 252.726 3.156 20 30 CGEDMO CCn1ccnc1[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000453377903 374463183 /nfs/dbraw/zinc/46/31/83/374463183.db2.gz ZHOJUELWXGZJGS-VXGBXAGGSA-N 1 1 286.354 3.326 20 30 CGEDMO CCn1ccnc1[C@H](C)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000453377895 374464223 /nfs/dbraw/zinc/46/42/23/374464223.db2.gz ZHOJUELWXGZJGS-NEPJUHHUSA-N 1 1 286.354 3.326 20 30 CGEDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000332158340 374557257 /nfs/dbraw/zinc/55/72/57/374557257.db2.gz UQCXJFKHZIPWOX-SWLSCSKDSA-N 1 1 296.374 3.229 20 30 CGEDMO N#CC1(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)CC1 ZINC000334466010 374774144 /nfs/dbraw/zinc/77/41/44/374774144.db2.gz CUVUJOGKLAIUTK-UHFFFAOYSA-N 1 1 280.375 3.046 20 30 CGEDMO C[N@H+]1CCCC12CCN(c1cccc(Cl)c1C#N)CC2 ZINC000334653718 374945531 /nfs/dbraw/zinc/94/55/31/374945531.db2.gz MYABRGCNCCGLBN-UHFFFAOYSA-N 1 1 289.810 3.276 20 30 CGEDMO C[N@@H+](Cc1ccc(Cl)cc1C#N)[C@H](CO)C(C)(C)C ZINC000187302485 374999869 /nfs/dbraw/zinc/99/98/69/374999869.db2.gz DXIFASHZOXVXEU-CQSZACIVSA-N 1 1 280.799 3.050 20 30 CGEDMO CO[C@]1(C)CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000470916180 375001630 /nfs/dbraw/zinc/00/16/30/375001630.db2.gz HHMNYYNPKGNACA-MRXNPFEDSA-N 1 1 277.795 3.192 20 30 CGEDMO C[N@@H+](CCCC(C)(C)C#N)CC(=O)Nc1cccc(F)c1 ZINC000471715404 375006041 /nfs/dbraw/zinc/00/60/41/375006041.db2.gz SLLWCEIUTFZUPS-UHFFFAOYSA-N 1 1 291.370 3.026 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000472753753 375033171 /nfs/dbraw/zinc/03/31/71/375033171.db2.gz PVQDXQFBIXHLQJ-ROUUACIJSA-N 1 1 273.420 3.268 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCC1CCOCC1 ZINC000187698791 375075601 /nfs/dbraw/zinc/07/56/01/375075601.db2.gz BEPZLHRPRZCPGC-AWEZNQCLSA-N 1 1 272.392 3.368 20 30 CGEDMO Cc1ccc2c(c1)nc(C[NH2+]Cc1cc(C#N)cs1)n2C ZINC000187581172 375048749 /nfs/dbraw/zinc/04/87/49/375048749.db2.gz DQGLUNYYNYCMNZ-UHFFFAOYSA-N 1 1 296.399 3.105 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)cc1 ZINC000475268796 375132571 /nfs/dbraw/zinc/13/25/71/375132571.db2.gz KXNBSADGXRJASN-KBXCAEBGSA-N 1 1 287.403 3.251 20 30 CGEDMO C=C(C)C[N@H+](C)CCOc1ccc(OCCC)cc1 ZINC000481265690 375163827 /nfs/dbraw/zinc/16/38/27/375163827.db2.gz BIRJWTIDSOCULJ-UHFFFAOYSA-N 1 1 263.381 3.362 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000481266110 375164283 /nfs/dbraw/zinc/16/42/83/375164283.db2.gz CMCSKJUMONWXOW-QGZVFWFLSA-N 1 1 286.419 3.345 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(c2cc(C)ccc2F)C1=O ZINC000481298948 375164319 /nfs/dbraw/zinc/16/43/19/375164319.db2.gz DBLLVGIZZPCZEU-HNNXBMFYSA-N 1 1 290.382 3.137 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@]3(CCOC3)C2)c(Cl)c1 ZINC000335235806 375253309 /nfs/dbraw/zinc/25/33/09/375253309.db2.gz AYBUJPOMEJVEKU-MRXNPFEDSA-N 1 1 290.794 3.214 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000335419858 375278433 /nfs/dbraw/zinc/27/84/33/375278433.db2.gz OLFINKXPHAJTDZ-OAHLLOKOSA-N 1 1 281.334 3.082 20 30 CGEDMO COCC[N@@H+](CCCC(C)(C)C#N)[C@@H]1CCC[C@@H]1C ZINC000487964940 375289631 /nfs/dbraw/zinc/28/96/31/375289631.db2.gz VIUWMBOPNRBRRU-LSDHHAIUSA-N 1 1 266.429 3.453 20 30 CGEDMO C[C@@H]1CSCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000488246723 375306447 /nfs/dbraw/zinc/30/64/47/375306447.db2.gz UTHYNZGGTIMWGH-ZDUSSCGKSA-N 1 1 279.836 3.376 20 30 CGEDMO C[C@@H]1CSCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000488246723 375306452 /nfs/dbraw/zinc/30/64/52/375306452.db2.gz UTHYNZGGTIMWGH-ZDUSSCGKSA-N 1 1 279.836 3.376 20 30 CGEDMO C[N@@H+](Cc1ccc(F)c(F)c1)[C@@H]1CC[C@@H](C#N)C1 ZINC000335331982 375262247 /nfs/dbraw/zinc/26/22/47/375262247.db2.gz NVHAHRFNRKPLIZ-ZYHUDNBSSA-N 1 1 250.292 3.089 20 30 CGEDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cccc(C#N)c1F ZINC000335689116 375348761 /nfs/dbraw/zinc/34/87/61/375348761.db2.gz COGIJZWENPREIK-SKDRFNHKSA-N 1 1 286.272 3.470 20 30 CGEDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cccc(C#N)c1F ZINC000335689116 375348770 /nfs/dbraw/zinc/34/87/70/375348770.db2.gz COGIJZWENPREIK-SKDRFNHKSA-N 1 1 286.272 3.470 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](C)COC ZINC000189691511 375435577 /nfs/dbraw/zinc/43/55/77/375435577.db2.gz HFWHIBGWXFDMEA-CQSZACIVSA-N 1 1 260.381 3.053 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@]3(CCCOC3)C2)s1 ZINC000335800994 375441612 /nfs/dbraw/zinc/44/16/12/375441612.db2.gz SPKWYFWIRLILHY-HNNXBMFYSA-N 1 1 276.405 3.012 20 30 CGEDMO C=C(C)CC[N@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000495812752 375502439 /nfs/dbraw/zinc/50/24/39/375502439.db2.gz BXUURUJGWFTSPV-UHFFFAOYSA-N 1 1 282.428 3.284 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@](F)(c2ccccc2C)C1 ZINC000502874634 375647923 /nfs/dbraw/zinc/64/79/23/375647923.db2.gz IFWQSHIHBQSWGU-DOTOQJQBSA-N 1 1 277.383 3.193 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CC[C@](F)(c2cc(C)cc(F)c2)C1 ZINC000502891855 375648592 /nfs/dbraw/zinc/64/85/92/375648592.db2.gz AICZKQKNGVOWMT-IAGOWNOFSA-N 1 1 295.373 3.332 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CC[C@](F)(c2cc(C)cc(F)c2)C1 ZINC000502891855 375648595 /nfs/dbraw/zinc/64/85/95/375648595.db2.gz AICZKQKNGVOWMT-IAGOWNOFSA-N 1 1 295.373 3.332 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1cccc(C(N)=O)c1 ZINC000505781565 375662430 /nfs/dbraw/zinc/66/24/30/375662430.db2.gz GEBYDPOGBXTLMP-UHFFFAOYSA-N 1 1 294.398 3.364 20 30 CGEDMO CC(C)C[C@]1(CO)CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000191660533 375649375 /nfs/dbraw/zinc/64/93/75/375649375.db2.gz QXRINQZXWSOQBZ-KRWDZBQOSA-N 1 1 290.382 3.070 20 30 CGEDMO C[C@@H]1C[C@]1([NH2+]CC1(C#N)CC1)c1ccc(Cl)cc1 ZINC000503378237 375650031 /nfs/dbraw/zinc/65/00/31/375650031.db2.gz SAUVAUBQCMLBEE-IAQYHMDHSA-N 1 1 260.768 3.468 20 30 CGEDMO C=C[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000499221581 375630953 /nfs/dbraw/zinc/63/09/53/375630953.db2.gz ZWWOMEZGABWLAD-NRSFXHEJSA-N 1 1 270.420 3.346 20 30 CGEDMO C=C(CC)CN1[C@H](C)C[N@H+](CC(=C)CC)C[C@@H]1C ZINC000499762325 375633128 /nfs/dbraw/zinc/63/31/28/375633128.db2.gz MLTCVCIIXVIJLU-IYBDPMFKSA-N 1 1 250.430 3.313 20 30 CGEDMO C=C(CC)CN1C[C@@H](C)[N@@H+](CC(=C)CC)[C@@H](C)C1 ZINC000499762325 375633134 /nfs/dbraw/zinc/63/31/34/375633134.db2.gz MLTCVCIIXVIJLU-IYBDPMFKSA-N 1 1 250.430 3.313 20 30 CGEDMO C=C(CC)CN1C[C@@H](C)[N@H+](CC(=C)CC)[C@@H](C)C1 ZINC000499762325 375633136 /nfs/dbraw/zinc/63/31/36/375633136.db2.gz MLTCVCIIXVIJLU-IYBDPMFKSA-N 1 1 250.430 3.313 20 30 CGEDMO CC[N@@H+](Cc1occc1C)Cc1ccc(C#N)cc1 ZINC000507131916 375677122 /nfs/dbraw/zinc/67/71/22/375677122.db2.gz MSNSYXGQPIQNSG-UHFFFAOYSA-N 1 1 254.333 3.482 20 30 CGEDMO C[C@@H](c1cccnc1)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192135409 375702268 /nfs/dbraw/zinc/70/22/68/375702268.db2.gz FXNQJYTZSGYSHO-LBPRGKRZSA-N 1 1 269.323 3.285 20 30 CGEDMO C[C@@H](c1ccccn1)[N@H+](C)CC#Cc1ccccc1 ZINC000192135468 375702322 /nfs/dbraw/zinc/70/23/22/375702322.db2.gz LAGLVAOIXHZSHO-HNNXBMFYSA-N 1 1 250.345 3.126 20 30 CGEDMO C[C@@H](c1ccccn1)[N@@H+](C)CC#Cc1ccccc1 ZINC000192135468 375702328 /nfs/dbraw/zinc/70/23/28/375702328.db2.gz LAGLVAOIXHZSHO-HNNXBMFYSA-N 1 1 250.345 3.126 20 30 CGEDMO COc1cccc(C2=CC[N@H+]([C@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC000336128552 375708542 /nfs/dbraw/zinc/70/85/42/375708542.db2.gz ZFDVXWZQQBNSTO-PBHICJAKSA-N 1 1 282.387 3.477 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000509677963 375782398 /nfs/dbraw/zinc/78/23/98/375782398.db2.gz CARMUKUAVOXDGZ-HNNXBMFYSA-N 1 1 292.810 3.343 20 30 CGEDMO Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1nc(C#N)cs1 ZINC000336591605 375858445 /nfs/dbraw/zinc/85/84/45/375858445.db2.gz OBNJXLUOPZZZCB-CQSZACIVSA-N 1 1 269.373 3.100 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000193443591 375877101 /nfs/dbraw/zinc/87/71/01/375877101.db2.gz DWRAEZGRLSIWRH-NVXWUHKLSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCCC1(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC000525995571 375889839 /nfs/dbraw/zinc/88/98/39/375889839.db2.gz DUHDVBYFFNIACM-UHFFFAOYSA-N 1 1 292.467 3.312 20 30 CGEDMO C[C@@H]1C[N@@H+](C[C@H](O)CC2(C#N)CC2)CC[C@H]1c1ccccc1 ZINC000528393294 375899919 /nfs/dbraw/zinc/89/99/19/375899919.db2.gz VVCDXOSQEIFOGV-KBAYOESNSA-N 1 1 298.430 3.167 20 30 CGEDMO CC1(C)C[N@@H+](C[C@@H](O)CC2(C#N)CC2)[C@@H]1c1cccs1 ZINC000528508532 375903930 /nfs/dbraw/zinc/90/39/30/375903930.db2.gz ZZLOKQKMZLRPFT-GXTWGEPZSA-N 1 1 290.432 3.186 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]1Cc1cccc(OC)c1 ZINC000532379034 375950993 /nfs/dbraw/zinc/95/09/93/375950993.db2.gz RVIAFQZUFFCQRT-IAGOWNOFSA-N 1 1 289.419 3.029 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCc2cccc(F)c2[C@H]1C ZINC000532378404 375951049 /nfs/dbraw/zinc/95/10/49/375951049.db2.gz VGKKSKSIWHUZCJ-TZMCWYRMSA-N 1 1 263.356 3.072 20 30 CGEDMO CC[C@H]1CCCC[N@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC000535219633 376030847 /nfs/dbraw/zinc/03/08/47/376030847.db2.gz NDWCAQXKALCMRV-AWEZNQCLSA-N 1 1 286.375 3.109 20 30 CGEDMO C=CC[N@@H+](CCO[C@@H]1CCCCO1)Cc1ccccc1 ZINC000195233783 376091526 /nfs/dbraw/zinc/09/15/26/376091526.db2.gz JWHDWKUPWVHQPM-QGZVFWFLSA-N 1 1 275.392 3.218 20 30 CGEDMO N#CC1(CCC[N@H+]2CCC[C@H]3CCC[C@@H]32)CCOCC1 ZINC000337184586 376121566 /nfs/dbraw/zinc/12/15/66/376121566.db2.gz NWEVXOQSCVEUJH-CVEARBPZSA-N 1 1 276.424 3.351 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1ccc2c(c1)nnn2C ZINC000536669267 376117662 /nfs/dbraw/zinc/11/76/62/376117662.db2.gz UOEVOULIDIJOLD-UHFFFAOYSA-N 1 1 272.396 3.147 20 30 CGEDMO C=CCN(CC=C)[C@@H](C[NH2+][C@@H](C)c1cscn1)C(C)C ZINC000535779653 376058445 /nfs/dbraw/zinc/05/84/45/376058445.db2.gz OWRDIDRHZNUKKZ-HOCLYGCPSA-N 1 1 293.480 3.492 20 30 CGEDMO COC(=O)c1cccc(C[N@@H+]([C@H](C)C2CC2)C2CC2)c1C#N ZINC000535981629 376075378 /nfs/dbraw/zinc/07/53/78/376075378.db2.gz JMUSICJKMSMAMI-GFCCVEGCSA-N 1 1 298.386 3.108 20 30 CGEDMO C=CCN1CC[C@@H]([N@@H+](Cc2ccc(C)c(C)c2)C2CC2)C1=O ZINC000337193711 376127607 /nfs/dbraw/zinc/12/76/07/376127607.db2.gz UUBNOESKNUASIG-GOSISDBHSA-N 1 1 298.430 3.055 20 30 CGEDMO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000337248458 376164241 /nfs/dbraw/zinc/16/42/41/376164241.db2.gz IUOPNMCTQAGSDP-SFHVURJKSA-N 1 1 294.402 3.213 20 30 CGEDMO C=CC[N@@H+](CCOC)CCSC1CCCCC1 ZINC000337397298 376219065 /nfs/dbraw/zinc/21/90/65/376219065.db2.gz GBPSFAGPMDYEKO-UHFFFAOYSA-N 1 1 257.443 3.187 20 30 CGEDMO C[C@@]1(CCCO)CCC[N@H+]1CC#Cc1ccccc1Cl ZINC000539613878 376322296 /nfs/dbraw/zinc/32/22/96/376322296.db2.gz SSNWWOUPTJEULU-KRWDZBQOSA-N 1 1 291.822 3.319 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000338549040 376424940 /nfs/dbraw/zinc/42/49/40/376424940.db2.gz LQPDLYSMWQPDMI-MRXNPFEDSA-N 1 1 273.355 3.157 20 30 CGEDMO CC1(C)CC[N@@H+](Cc2ccccc2C#N)CCS1 ZINC000228087469 376426350 /nfs/dbraw/zinc/42/63/50/376426350.db2.gz NXUIZTYUPJJEOR-UHFFFAOYSA-N 1 1 260.406 3.276 20 30 CGEDMO C[C@H]1CC[C@@H]([N@@H+](C)CCOc2cccc(C#N)c2)C1 ZINC000338995607 376617982 /nfs/dbraw/zinc/61/79/82/376617982.db2.gz NIOOTHBLDGYWOM-DZGCQCFKSA-N 1 1 258.365 3.057 20 30 CGEDMO CO[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)CC[C@@H]1C ZINC000234788806 376620012 /nfs/dbraw/zinc/62/00/12/376620012.db2.gz IOIRMBLRXOVXNR-UONOGXRCSA-N 1 1 252.402 3.063 20 30 CGEDMO COc1cc(C[N@H+]2CCc3ccccc3C2)ccc1C#N ZINC000235002463 376630303 /nfs/dbraw/zinc/63/03/03/376630303.db2.gz WRDPNEJXFBCCPU-UHFFFAOYSA-N 1 1 278.355 3.125 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000544143791 376709514 /nfs/dbraw/zinc/70/95/14/376709514.db2.gz MWYVUYBIKPCEHN-GOSISDBHSA-N 1 1 277.371 3.485 20 30 CGEDMO CC(C)n1cc([C@@H](C)[NH2+]Cc2cccc(C#N)c2F)cn1 ZINC000544469634 376739312 /nfs/dbraw/zinc/73/93/12/376739312.db2.gz VRWJGJPJXJGMOT-GFCCVEGCSA-N 1 1 286.354 3.326 20 30 CGEDMO C=CC[NH2+][C@H](C)c1nc(-c2ccc(CC)cc2)no1 ZINC000544512317 376743233 /nfs/dbraw/zinc/74/32/33/376743233.db2.gz MZNYWOUVPUSDFG-LLVKDONJSA-N 1 1 257.337 3.136 20 30 CGEDMO N#CC1(C[N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)CC1 ZINC000339656613 376788546 /nfs/dbraw/zinc/78/85/46/376788546.db2.gz AZKXBAKEEKDJIC-AWEZNQCLSA-N 1 1 276.767 3.097 20 30 CGEDMO N#CC1(C[N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)CC1 ZINC000339656613 376788551 /nfs/dbraw/zinc/78/85/51/376788551.db2.gz AZKXBAKEEKDJIC-AWEZNQCLSA-N 1 1 276.767 3.097 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CC[C@H](CC2CC2)C1 ZINC000339684571 376808762 /nfs/dbraw/zinc/80/87/62/376808762.db2.gz TYHROSASMKBHLR-CYBMUJFWSA-N 1 1 258.340 3.319 20 30 CGEDMO CCCOc1ccc(C[N@H+](C)CC(C)(C)C#N)cc1 ZINC000552085497 376846358 /nfs/dbraw/zinc/84/63/58/376846358.db2.gz ACIVREMQIWLJBW-UHFFFAOYSA-N 1 1 260.381 3.457 20 30 CGEDMO CCCOc1ccc(C[N@@H+](C)CC(C)(C)C#N)cc1 ZINC000552085497 376846361 /nfs/dbraw/zinc/84/63/61/376846361.db2.gz ACIVREMQIWLJBW-UHFFFAOYSA-N 1 1 260.381 3.457 20 30 CGEDMO C=CCC1(C(=O)N(CC)C[C@H]2CCC[N@H+]2CC)CCC1 ZINC000555727791 376857864 /nfs/dbraw/zinc/85/78/64/376857864.db2.gz NYLHOOFOTPSVRV-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO CC#CC[N@@H+](C)[C@@H](C)c1cccc(Br)c1 ZINC000555752012 376860553 /nfs/dbraw/zinc/86/05/53/376860553.db2.gz XDOSWQWIQNORDQ-NSHDSACASA-N 1 1 266.182 3.465 20 30 CGEDMO CC[C@H](C)C[N@@H+](CC)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000245764808 376902833 /nfs/dbraw/zinc/90/28/33/376902833.db2.gz JDLQGYHNDLKJGP-YOEHRIQHSA-N 1 1 299.418 3.032 20 30 CGEDMO CC[C@@H]1C[N@H+]([C@@H](C)c2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000246452301 377031923 /nfs/dbraw/zinc/03/19/23/377031923.db2.gz VRWHGGHZNMNZMF-DVOMOZLQSA-N 1 1 258.365 3.119 20 30 CGEDMO C=CCc1cc(C[N@H+]2CC[C@H](C)[C@@H]2C)cc(OC)c1O ZINC000246475090 377036658 /nfs/dbraw/zinc/03/66/58/377036658.db2.gz OQHPTTHSTXVPLB-STQMWFEESA-N 1 1 275.392 3.360 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCCC[C@@H](SC)C1 ZINC000246577406 377055118 /nfs/dbraw/zinc/05/51/18/377055118.db2.gz LUSCONZUWQEQNB-LSDHHAIUSA-N 1 1 298.496 3.017 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000246623250 377064624 /nfs/dbraw/zinc/06/46/24/377064624.db2.gz BYMJGNGHLQSENH-UONOGXRCSA-N 1 1 293.432 3.112 20 30 CGEDMO C[C@@]1(c2ccccc2)CCC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000246785496 377087046 /nfs/dbraw/zinc/08/70/46/377087046.db2.gz BHLALPREYDNGTH-SJLPKXTDSA-N 1 1 281.403 3.484 20 30 CGEDMO C[C@@]1(c2ccccc2)CCC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000246785496 377087049 /nfs/dbraw/zinc/08/70/49/377087049.db2.gz BHLALPREYDNGTH-SJLPKXTDSA-N 1 1 281.403 3.484 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000247273328 377187731 /nfs/dbraw/zinc/18/77/31/377187731.db2.gz GUIDRUGRGVCACY-KKUMJFAQSA-N 1 1 263.381 3.380 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000247502065 377214792 /nfs/dbraw/zinc/21/47/92/377214792.db2.gz LURPHTDDLHRGHY-CRAIPNDOSA-N 1 1 285.435 3.425 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000247636760 377228891 /nfs/dbraw/zinc/22/88/91/377228891.db2.gz VGHOFARZSGAICO-XIRDDKMYSA-N 1 1 291.460 3.492 20 30 CGEDMO COCC[N@H+](Cc1ccccc1)Cc1cccc(C#N)c1F ZINC000340758340 377245792 /nfs/dbraw/zinc/24/57/92/377245792.db2.gz HCOTZRVZVYEYSN-UHFFFAOYSA-N 1 1 298.361 3.346 20 30 CGEDMO COCC[N@@H+](Cc1ccccc1)Cc1cccc(C#N)c1F ZINC000340758340 377245802 /nfs/dbraw/zinc/24/58/02/377245802.db2.gz HCOTZRVZVYEYSN-UHFFFAOYSA-N 1 1 298.361 3.346 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+]1CCn2c(nnc2C2CCCC2)C1 ZINC000340897924 377310033 /nfs/dbraw/zinc/31/00/33/377310033.db2.gz KTQRDSMLNSSSHZ-AWEZNQCLSA-N 1 1 288.439 3.496 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCn2c(nnc2C2CCCC2)C1 ZINC000340897924 377310040 /nfs/dbraw/zinc/31/00/40/377310040.db2.gz KTQRDSMLNSSSHZ-AWEZNQCLSA-N 1 1 288.439 3.496 20 30 CGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCC[C@@H](C)C1 ZINC000248538643 377340868 /nfs/dbraw/zinc/34/08/68/377340868.db2.gz ACXHEACYYFYSNR-ZIAGYGMSSA-N 1 1 285.391 3.007 20 30 CGEDMO CCC[N@@H+](CC)C[C@H](C)Nc1cc(C(C)=O)ccc1C#N ZINC000562241795 377286303 /nfs/dbraw/zinc/28/63/03/377286303.db2.gz CKQMCAWXBFVLFH-ZDUSSCGKSA-N 1 1 287.407 3.293 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000248636197 377372140 /nfs/dbraw/zinc/37/21/40/377372140.db2.gz UVAYHYHSZKIYMD-OAGGEKHMSA-N 1 1 278.440 3.062 20 30 CGEDMO C[N@H+](Cc1ccc(Cl)cc1C#N)C[C@H]1CCCC[C@H]1O ZINC000248585209 377357076 /nfs/dbraw/zinc/35/70/76/377357076.db2.gz XJFZDTUYRCPYNA-CZUORRHYSA-N 1 1 292.810 3.195 20 30 CGEDMO Cc1cc(C)c(C#N)c(NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)n1 ZINC000341113401 377403415 /nfs/dbraw/zinc/40/34/15/377403415.db2.gz YUUBQMQWSGBZOJ-GASCZTMLSA-N 1 1 286.423 3.245 20 30 CGEDMO CC[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000563151494 377409392 /nfs/dbraw/zinc/40/93/92/377409392.db2.gz XCPXHVCCCWGABT-HOCLYGCPSA-N 1 1 297.406 3.002 20 30 CGEDMO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H]1CCC[C@H](C#N)C1 ZINC000248867782 377416336 /nfs/dbraw/zinc/41/63/36/377416336.db2.gz QHLOVRYTKBWRIU-BQJWPVKWSA-N 1 1 277.456 3.025 20 30 CGEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H]1CCC[C@H](C#N)C1 ZINC000248867782 377416339 /nfs/dbraw/zinc/41/63/39/377416339.db2.gz QHLOVRYTKBWRIU-BQJWPVKWSA-N 1 1 277.456 3.025 20 30 CGEDMO CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCCC#N ZINC000249451586 377503326 /nfs/dbraw/zinc/50/33/26/377503326.db2.gz OLWHCGNMHVDAKN-ZNMIVQPWSA-N 1 1 292.423 3.265 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)Cc1ccc(C#N)cn1 ZINC000567210186 377504153 /nfs/dbraw/zinc/50/41/53/377504153.db2.gz YCDUNKNGOZONPX-UHFFFAOYSA-N 1 1 263.344 3.141 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cn1 ZINC000567210186 377504163 /nfs/dbraw/zinc/50/41/63/377504163.db2.gz YCDUNKNGOZONPX-UHFFFAOYSA-N 1 1 263.344 3.141 20 30 CGEDMO C=CC[C@H]1[N@@H+](CCCc2cncn2C)CCCC1(C)C ZINC000565900262 377490078 /nfs/dbraw/zinc/49/00/78/377490078.db2.gz RPVDMSQLNFCHQG-MRXNPFEDSA-N 1 1 275.440 3.419 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000566173553 377495653 /nfs/dbraw/zinc/49/56/53/377495653.db2.gz LOXAPMIYNQVSDE-IBGZPJMESA-N 1 1 277.367 3.191 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1ccccc1CC#N)C1CCCCC1 ZINC000566460278 377496530 /nfs/dbraw/zinc/49/65/30/377496530.db2.gz PQSBLSFWYXNDFA-UHFFFAOYSA-N 1 1 299.418 3.346 20 30 CGEDMO C[C@H]1CCC[C@](C[NH2+]Cc2cc(C#N)cs2)(N(C)C)C1 ZINC000093492514 249037435 /nfs/dbraw/zinc/03/74/35/249037435.db2.gz XWDSZBQXZULMFH-BBRMVZONSA-N 1 1 291.464 3.220 20 30 CGEDMO C[C@@H]1Cc2[nH+]cn(Cc3cccc(C#N)c3)c2C[C@@H]1C ZINC000313370994 249090749 /nfs/dbraw/zinc/09/07/49/249090749.db2.gz PSVRDOHFBKXGIC-OLZOCXBDSA-N 1 1 265.360 3.174 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC000570786101 377538909 /nfs/dbraw/zinc/53/89/09/377538909.db2.gz AEYNFBTXSLGKIJ-BLLLJJGKSA-N 1 1 271.339 3.236 20 30 CGEDMO C=CCCCC[N@@H+](C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000569308032 377528243 /nfs/dbraw/zinc/52/82/43/377528243.db2.gz XNZWRLAXMMVVBF-LSDHHAIUSA-N 1 1 269.454 3.329 20 30 CGEDMO CC[C@@H](CC#N)NCc1cccc(C[NH2+][C@@H](CC)CC#N)c1 ZINC000569706505 377529200 /nfs/dbraw/zinc/52/92/00/377529200.db2.gz PBKNPOLMNUORJW-ROUUACIJSA-N 1 1 298.434 3.250 20 30 CGEDMO COC1CCC([N@@H+](C)Cc2cc(C#N)ccc2F)CC1 ZINC000265253222 190169623 /nfs/dbraw/zinc/16/96/23/190169623.db2.gz WWHATMDWWHQRNO-UHFFFAOYSA-N 1 1 276.355 3.087 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)[C@H]1C ZINC000250568216 377564149 /nfs/dbraw/zinc/56/41/49/377564149.db2.gz VMVWGPJFMXRXQP-KGLIPLIRSA-N 1 1 285.391 3.007 20 30 CGEDMO CC(C)(C)C[C@H]1CC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000515864825 249222343 /nfs/dbraw/zinc/22/23/43/249222343.db2.gz OPSFLSSUKQBCCW-CYBMUJFWSA-N 1 1 257.381 3.211 20 30 CGEDMO C[N@H+](CC#Cc1cccc(Cl)c1)CC[C@@H]1CCCO1 ZINC000342585011 377675196 /nfs/dbraw/zinc/67/51/96/377675196.db2.gz ITRAAEPVANGLSO-INIZCTEOSA-N 1 1 277.795 3.192 20 30 CGEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCOC1 ZINC000342642480 377706214 /nfs/dbraw/zinc/70/62/14/377706214.db2.gz XGEALMWARAQRHW-HNNXBMFYSA-N 1 1 290.363 3.009 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000342724691 377758711 /nfs/dbraw/zinc/75/87/11/377758711.db2.gz FCFNZODQVPSVKW-GFCCVEGCSA-N 1 1 280.799 3.483 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000342729630 377761139 /nfs/dbraw/zinc/76/11/39/377761139.db2.gz XKDBJRWZFNJSAF-HUUCEWRRSA-N 1 1 286.419 3.251 20 30 CGEDMO C=CCC[N@H+](C)Cc1nc2cc(Cl)ccc2n1C ZINC000342739599 377766504 /nfs/dbraw/zinc/76/65/04/377766504.db2.gz OZVRXLHNWSEXDA-UHFFFAOYSA-N 1 1 263.772 3.235 20 30 CGEDMO CCO[C@H]1C[C@@H]([N@@H+](C)CC2(C#N)CC2)C12CCCCC2 ZINC000343322528 377953934 /nfs/dbraw/zinc/95/39/34/377953934.db2.gz QPUWZDPKPJAHHM-CABCVRRESA-N 1 1 276.424 3.350 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CCc3sccc3C2)cc1 ZINC000264172215 377961328 /nfs/dbraw/zinc/96/13/28/377961328.db2.gz VVSFDYQXJMGPBY-UHFFFAOYSA-N 1 1 284.384 3.209 20 30 CGEDMO C=CCC[N@H+](C)Cc1c(C)nn(CC(C)C)c1OCC ZINC000343474535 377990793 /nfs/dbraw/zinc/99/07/93/377990793.db2.gz SQAPRIADFHWCSO-UHFFFAOYSA-N 1 1 279.428 3.254 20 30 CGEDMO N#CC1(C[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000578007073 378029160 /nfs/dbraw/zinc/02/91/60/378029160.db2.gz PWSRDAPFVOBXTJ-UHFFFAOYSA-N 1 1 286.766 3.123 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000343588888 378030316 /nfs/dbraw/zinc/03/03/16/378030316.db2.gz KFGHQBXXBNMKQO-INIZCTEOSA-N 1 1 290.382 3.219 20 30 CGEDMO CCOc1ccc([C@H](C)[NH2+]CC2(C#N)CC2)cc1OCC ZINC000343591527 378032643 /nfs/dbraw/zinc/03/26/43/378032643.db2.gz ZBYMVCFKMHRQPY-ZDUSSCGKSA-N 1 1 288.391 3.438 20 30 CGEDMO CC[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000578370004 378062875 /nfs/dbraw/zinc/06/28/75/378062875.db2.gz MAZWBLHQMIBNGM-ZBFHGGJFSA-N 1 1 259.397 3.297 20 30 CGEDMO C[C@@H](c1ccccn1)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000343720102 378075777 /nfs/dbraw/zinc/07/57/77/378075777.db2.gz ACUZPKKQJBXWMO-AWEZNQCLSA-N 1 1 265.360 3.341 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](Cc1cccs1)C(C)C ZINC000268580653 378076558 /nfs/dbraw/zinc/07/65/58/378076558.db2.gz SWOXOIILGXTDCR-ZDUSSCGKSA-N 1 1 253.411 3.286 20 30 CGEDMO N#CCc1ccc(C[N@@H+]2CCc3c(F)cccc3C2)cc1 ZINC000343748745 378081035 /nfs/dbraw/zinc/08/10/35/378081035.db2.gz LLTGHPQOBSZRQF-UHFFFAOYSA-N 1 1 280.346 3.450 20 30 CGEDMO C=CC[N@H+](CCCc1nc(C)no1)CC1CCCCC1 ZINC000268616221 378081628 /nfs/dbraw/zinc/08/16/28/378081628.db2.gz AGUYLZFCUVRZCX-UHFFFAOYSA-N 1 1 277.412 3.379 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3ccncc3)C2)s1 ZINC000579241017 378143329 /nfs/dbraw/zinc/14/33/29/378143329.db2.gz CKQGTHMTOKMJON-CYBMUJFWSA-N 1 1 269.373 3.004 20 30 CGEDMO CC(C)[C@H]1CCCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000268719026 378096084 /nfs/dbraw/zinc/09/60/84/378096084.db2.gz VIAJVEHRKKZOEU-SJORKVTESA-N 1 1 272.392 3.102 20 30 CGEDMO CC[N@H+]1C[C@@H](C)N(c2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000345161092 378209551 /nfs/dbraw/zinc/20/95/51/378209551.db2.gz JOOWTYOFUCOGSO-NWDGAFQWSA-N 1 1 277.799 3.131 20 30 CGEDMO CCc1oc2ccccc2c1C[NH2+]CC1(C#N)CC1 ZINC000582158713 378288591 /nfs/dbraw/zinc/28/85/91/378288591.db2.gz YRGVPLKBMPFCAU-UHFFFAOYSA-N 1 1 254.333 3.389 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H](C)COC ZINC000582268587 378298903 /nfs/dbraw/zinc/29/89/03/378298903.db2.gz VNHJGFWVJDVZMZ-HNNXBMFYSA-N 1 1 279.428 3.125 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000583819290 378350674 /nfs/dbraw/zinc/35/06/74/378350674.db2.gz YVJXSTWKXOCHCU-KRWDZBQOSA-N 1 1 257.377 3.422 20 30 CGEDMO C#CCC[N@@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000270471188 378356494 /nfs/dbraw/zinc/35/64/94/378356494.db2.gz BKAFJRUGCGQQLW-OAHLLOKOSA-N 1 1 281.359 3.287 20 30 CGEDMO C#CCC[N@H+]1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000270471188 378356499 /nfs/dbraw/zinc/35/64/99/378356499.db2.gz BKAFJRUGCGQQLW-OAHLLOKOSA-N 1 1 281.359 3.287 20 30 CGEDMO CCCN1CCC([NH2+][C@@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000346059492 378452397 /nfs/dbraw/zinc/45/23/97/378452397.db2.gz CLSYGGAMOZTBBL-ZDUSSCGKSA-N 1 1 289.398 3.222 20 30 CGEDMO COc1ccc(C[N@H+](C)C[C@H](C)C#N)c2ccccc12 ZINC000271118296 378455634 /nfs/dbraw/zinc/45/56/34/378455634.db2.gz GMMRVNOZADOTQC-CYBMUJFWSA-N 1 1 268.360 3.440 20 30 CGEDMO COc1ccc(C[N@@H+](C)C[C@H](C)C#N)c2ccccc12 ZINC000271118296 378455641 /nfs/dbraw/zinc/45/56/41/378455641.db2.gz GMMRVNOZADOTQC-CYBMUJFWSA-N 1 1 268.360 3.440 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000270991282 378423411 /nfs/dbraw/zinc/42/34/11/378423411.db2.gz DXQNJSYGFJUEJD-IRXDYDNUSA-N 1 1 275.367 3.127 20 30 CGEDMO C#CCCC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000270989012 378423595 /nfs/dbraw/zinc/42/35/95/378423595.db2.gz DOMHMDKJUNYCCJ-HNNXBMFYSA-N 1 1 271.360 3.008 20 30 CGEDMO CCN(CC)C[C@H](C)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000346130347 378474017 /nfs/dbraw/zinc/47/40/17/378474017.db2.gz MDFXZTCCFQQJLN-QWHCGFSZSA-N 1 1 277.387 3.078 20 30 CGEDMO CCOc1ncccc1C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000346158048 378484209 /nfs/dbraw/zinc/48/42/09/378484209.db2.gz HJMZSZDBFGESIT-LBPRGKRZSA-N 1 1 299.349 3.342 20 30 CGEDMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000271495540 378495680 /nfs/dbraw/zinc/49/56/80/378495680.db2.gz IMWSBOFIVIOCSG-HIFRSBDPSA-N 1 1 258.365 3.352 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C(=O)N(CC)CC)c1ccccc1 ZINC000346954587 378698395 /nfs/dbraw/zinc/69/83/95/378698395.db2.gz AJBHMHPFXYRORR-QGZVFWFLSA-N 1 1 288.435 3.494 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1scnc1C ZINC000272673262 378685637 /nfs/dbraw/zinc/68/56/37/378685637.db2.gz UERFNRKQDZDLAA-UHFFFAOYSA-N 1 1 262.378 3.275 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](CCOCC3CC3)CC2)cc1 ZINC000347961940 378741530 /nfs/dbraw/zinc/74/15/30/378741530.db2.gz SLWMPAJOCWSHQM-UHFFFAOYSA-N 1 1 282.387 3.074 20 30 CGEDMO C=CCOCCC[N@H+](C)[C@H]1CC[C@H](SCC)C1 ZINC000348056377 378769663 /nfs/dbraw/zinc/76/96/63/378769663.db2.gz OGEGMEWCZDKSCG-KBPBESRZSA-N 1 1 257.443 3.185 20 30 CGEDMO CCc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccc(C#N)o1 ZINC000266188080 190238923 /nfs/dbraw/zinc/23/89/23/190238923.db2.gz HWRJQQDWIWRTJQ-INIZCTEOSA-N 1 1 282.343 3.327 20 30 CGEDMO C=CCOCCC[N@@H+]1CCCC[C@@H](SCC)C1 ZINC000348032708 378759630 /nfs/dbraw/zinc/75/96/30/378759630.db2.gz LPPVTNFTHWORDY-CQSZACIVSA-N 1 1 257.443 3.187 20 30 CGEDMO C[C@H](NCC(C)(C)C#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348223539 378847280 /nfs/dbraw/zinc/84/72/80/378847280.db2.gz TXMQGWXTLQRRHY-RDJZCZTQSA-N 1 1 285.435 3.036 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000274790013 378894985 /nfs/dbraw/zinc/89/49/85/378894985.db2.gz NRFXUPFIJMWHLL-GXTWGEPZSA-N 1 1 251.395 3.476 20 30 CGEDMO C=C(C)CC[N@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000274808486 378900363 /nfs/dbraw/zinc/90/03/63/378900363.db2.gz XIECLPXFPCZBPY-UHFFFAOYSA-N 1 1 260.381 3.140 20 30 CGEDMO C=C(C)CCN1C[C@H](C)[N@H+](CCC(=C)C)C[C@H]1C ZINC000274828223 378903443 /nfs/dbraw/zinc/90/34/43/378903443.db2.gz LJYXAHLBXZVOKW-IYBDPMFKSA-N 1 1 250.430 3.313 20 30 CGEDMO C=C(C)CCN1C[C@@H](C)[N@@H+](CCC(=C)C)C[C@@H]1C ZINC000274828223 378903446 /nfs/dbraw/zinc/90/34/46/378903446.db2.gz LJYXAHLBXZVOKW-IYBDPMFKSA-N 1 1 250.430 3.313 20 30 CGEDMO C=C(C)CCN1C[C@@H](C)[N@H+](CCC(=C)C)C[C@@H]1C ZINC000274828223 378903449 /nfs/dbraw/zinc/90/34/49/378903449.db2.gz LJYXAHLBXZVOKW-IYBDPMFKSA-N 1 1 250.430 3.313 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1CCCCO1 ZINC000275112835 378938522 /nfs/dbraw/zinc/93/85/22/378938522.db2.gz WQOKJXDQKOOQRI-CZUORRHYSA-N 1 1 258.365 3.120 20 30 CGEDMO C[C@@H]([NH2+]CCCCC#N)c1noc(Cc2ccccc2)n1 ZINC000348424929 378951534 /nfs/dbraw/zinc/95/15/34/378951534.db2.gz RUNFDYPVVALEHY-CYBMUJFWSA-N 1 1 284.363 3.005 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc(OC)c(O)cc1Cl ZINC000639091643 379015481 /nfs/dbraw/zinc/01/54/81/379015481.db2.gz QPYAPTVFGVTUET-UHFFFAOYSA-N 1 1 255.745 3.062 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3ccco3)C2)cc1F ZINC000370681514 379052152 /nfs/dbraw/zinc/05/21/52/379052152.db2.gz BJQFIEJAXGDUBG-CQSZACIVSA-N 1 1 270.307 3.280 20 30 CGEDMO CCC[N@@H+](CCc1ccccn1)Cc1cc(C#N)cs1 ZINC000349071678 379153092 /nfs/dbraw/zinc/15/30/92/379153092.db2.gz GTSQRLBVNWGBGJ-UHFFFAOYSA-N 1 1 285.416 3.469 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)C/C=C/c2ccc(F)cc2)n1 ZINC000279469839 379440557 /nfs/dbraw/zinc/44/05/57/379440557.db2.gz VJFCWCUGPQMVPN-AATRIKPKSA-N 1 1 297.377 3.191 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)C/C=C/c2ccc(F)cc2)n1 ZINC000279469839 379440565 /nfs/dbraw/zinc/44/05/65/379440565.db2.gz VJFCWCUGPQMVPN-AATRIKPKSA-N 1 1 297.377 3.191 20 30 CGEDMO C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000350338632 379540451 /nfs/dbraw/zinc/54/04/51/379540451.db2.gz ZFQYYIGBOFIFDI-QGZVFWFLSA-N 1 1 286.419 3.237 20 30 CGEDMO Clc1cccc(C#CC[N@@H+]2CCC[C@@H]2c2cn[nH]c2)c1 ZINC000639775423 379574354 /nfs/dbraw/zinc/57/43/54/379574354.db2.gz BQBQPHRHIDHYPM-MRXNPFEDSA-N 1 1 285.778 3.252 20 30 CGEDMO Clc1cccc(C#CC[N@H+]2CCC[C@@H]2c2cn[nH]c2)c1 ZINC000639775423 379574362 /nfs/dbraw/zinc/57/43/62/379574362.db2.gz BQBQPHRHIDHYPM-MRXNPFEDSA-N 1 1 285.778 3.252 20 30 CGEDMO CC[N@@H+](CCC1OCCCO1)[C@@H](C)c1ccc(C#N)cc1 ZINC000267069021 190301080 /nfs/dbraw/zinc/30/10/80/190301080.db2.gz OAYXDKSYEUFOBD-AWEZNQCLSA-N 1 1 288.391 3.094 20 30 CGEDMO C[C@H](C#N)C[N@H+](Cc1ccccc1-c1ccnn1C)C1CC1 ZINC000351729991 379741947 /nfs/dbraw/zinc/74/19/47/379741947.db2.gz KNCPISQUGGQHKD-CQSZACIVSA-N 1 1 294.402 3.211 20 30 CGEDMO C[C@H](C#N)C[N@@H+](Cc1ccccc1-c1ccnn1C)C1CC1 ZINC000351729991 379741957 /nfs/dbraw/zinc/74/19/57/379741957.db2.gz KNCPISQUGGQHKD-CQSZACIVSA-N 1 1 294.402 3.211 20 30 CGEDMO C=C(C)[C@@H]([NH2+]Cc1cnc(C)nc1)c1ccc(F)c(F)c1 ZINC000351816873 379744425 /nfs/dbraw/zinc/74/44/25/379744425.db2.gz SUSZJRBKWJWMPB-MRXNPFEDSA-N 1 1 289.329 3.470 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2oncc2C(=O)OC)CCCC1(C)C ZINC000352404626 379800354 /nfs/dbraw/zinc/80/03/54/379800354.db2.gz COSGSDXAZFNDOK-CQSZACIVSA-N 1 1 292.379 3.028 20 30 CGEDMO C=C(C)CCN1[C@H](C)C[N@H+](CCC(=C)C)C[C@@H]1C ZINC000281457957 379836159 /nfs/dbraw/zinc/83/61/59/379836159.db2.gz VBIPWBMCHVQZAF-IYBDPMFKSA-N 1 1 250.430 3.313 20 30 CGEDMO C=C(C)CCN1C[C@@H](C)[N@H+](CCC(=C)C)[C@@H](C)C1 ZINC000281457957 379836166 /nfs/dbraw/zinc/83/61/66/379836166.db2.gz VBIPWBMCHVQZAF-IYBDPMFKSA-N 1 1 250.430 3.313 20 30 CGEDMO C=C(C)CCN1C[C@@H](C)[N@@H+](CCC(=C)C)[C@@H](C)C1 ZINC000281457957 379836170 /nfs/dbraw/zinc/83/61/70/379836170.db2.gz VBIPWBMCHVQZAF-IYBDPMFKSA-N 1 1 250.430 3.313 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccc(OC)cc1)[C@@H](CO)C(C)C ZINC000352699684 379915284 /nfs/dbraw/zinc/91/52/84/379915284.db2.gz CEUXAZHLASITFM-KRWDZBQOSA-N 1 1 277.408 3.090 20 30 CGEDMO C[C@@H]1Cc2c([nH+]cn2Cc2ccc(C#N)c(F)c2)C[C@@H]1C ZINC000404179301 379978678 /nfs/dbraw/zinc/97/86/78/379978678.db2.gz ZKBFWAHDRCGWII-NWDGAFQWSA-N 1 1 283.350 3.313 20 30 CGEDMO C[C@H](C#N)C[N@H+](C[C@H]1CCC2(CCCCC2)O1)C1CC1 ZINC000409446397 380035913 /nfs/dbraw/zinc/03/59/13/380035913.db2.gz YSQOFDQRTKDGHC-GDBMZVCRSA-N 1 1 276.424 3.492 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C[C@H]1CCC2(CCCCC2)O1)C1CC1 ZINC000409446397 380035920 /nfs/dbraw/zinc/03/59/20/380035920.db2.gz YSQOFDQRTKDGHC-GDBMZVCRSA-N 1 1 276.424 3.492 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1cc(C#N)cs1 ZINC000352985783 380065525 /nfs/dbraw/zinc/06/55/25/380065525.db2.gz LGQGJBFVMKPWRQ-UHFFFAOYSA-N 1 1 272.373 3.443 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H]1CC[C@@H](C)O1 ZINC000352923696 380039460 /nfs/dbraw/zinc/03/94/60/380039460.db2.gz VXQAYDIZMFYUDU-WBVHZDCISA-N 1 1 291.439 3.410 20 30 CGEDMO N#CC1(CC[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)CCCCC1 ZINC000411390969 380142383 /nfs/dbraw/zinc/14/23/83/380142383.db2.gz PEMRMTUPBBXSQK-OAHLLOKOSA-N 1 1 286.423 3.453 20 30 CGEDMO CC[C@@H]1CN([C@@H](C)CCC#N)CC[N@H+]1Cc1ccccc1 ZINC000411522360 380149454 /nfs/dbraw/zinc/14/94/54/380149454.db2.gz ALGHUKKJVRDLPH-FUHWJXTLSA-N 1 1 285.435 3.275 20 30 CGEDMO CC[C@@H]1C[N@@H+]([C@@H](C)CCC#N)CCN1Cc1ccccc1 ZINC000411522360 380149461 /nfs/dbraw/zinc/14/94/61/380149461.db2.gz ALGHUKKJVRDLPH-FUHWJXTLSA-N 1 1 285.435 3.275 20 30 CGEDMO CC[C@@H]1C[N@H+]([C@@H](C)CCC#N)CCN1Cc1ccccc1 ZINC000411522360 380149465 /nfs/dbraw/zinc/14/94/65/380149465.db2.gz ALGHUKKJVRDLPH-FUHWJXTLSA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@@H]1C[C@@H](Nc2ccc(C#N)cn2)C[N@H+]1Cc1ccccc1 ZINC000268117792 190378135 /nfs/dbraw/zinc/37/81/35/190378135.db2.gz FFWQOAKVNKPKEE-RHSMWYFYSA-N 1 1 292.386 3.028 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)[C@@H](C)c1ncc(C)o1 ZINC000411489732 380149843 /nfs/dbraw/zinc/14/98/43/380149843.db2.gz KVJDFVSTXXAMMR-ZDUSSCGKSA-N 1 1 260.337 3.368 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)[C@@H](C)c1ncc(C)o1 ZINC000411489732 380149857 /nfs/dbraw/zinc/14/98/57/380149857.db2.gz KVJDFVSTXXAMMR-ZDUSSCGKSA-N 1 1 260.337 3.368 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000411558956 380151080 /nfs/dbraw/zinc/15/10/80/380151080.db2.gz MSUFDCHEXMSMKE-YOEHRIQHSA-N 1 1 270.376 3.200 20 30 CGEDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2F)C1(C)C ZINC000353948071 380249614 /nfs/dbraw/zinc/24/96/14/380249614.db2.gz RFFXJMPVJUAWQT-WBVHZDCISA-N 1 1 290.382 3.333 20 30 CGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](C)C(C)(C)C1 ZINC000354043068 380296646 /nfs/dbraw/zinc/29/66/46/380296646.db2.gz UTXPIMQKBFULCC-KBPBESRZSA-N 1 1 299.418 3.253 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000354083472 380312682 /nfs/dbraw/zinc/31/26/82/380312682.db2.gz ODDPGDYPPLECOE-NVXWUHKLSA-N 1 1 287.403 3.110 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2ncnn2CCC)CCCC1(C)C ZINC000279063951 194268251 /nfs/dbraw/zinc/26/82/51/194268251.db2.gz IYZPNZHRFSHHKU-CQSZACIVSA-N 1 1 276.428 3.255 20 30 CGEDMO C=C[C@H]1CCCCN1C(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000416220057 380524716 /nfs/dbraw/zinc/52/47/16/380524716.db2.gz IXSMEPIZSFDYRN-SFHVURJKSA-N 1 1 298.430 3.002 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1F)C[C@@H]1CC[C@H](C)O1 ZINC000354872583 380563087 /nfs/dbraw/zinc/56/30/87/380563087.db2.gz QKXXQVORSYFZJB-ZFWWWQNUSA-N 1 1 263.356 3.381 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@@H]1CC[C@H](C)O1 ZINC000354872583 380563092 /nfs/dbraw/zinc/56/30/92/380563092.db2.gz QKXXQVORSYFZJB-ZFWWWQNUSA-N 1 1 263.356 3.381 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000355111153 380577426 /nfs/dbraw/zinc/57/74/26/380577426.db2.gz QWCSMHYFVVMJTE-AEFFLSMTSA-N 1 1 287.403 3.252 20 30 CGEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](CC)OC ZINC000419200142 380777611 /nfs/dbraw/zinc/77/76/11/380777611.db2.gz WNHUEICJBVYOOJ-HNNXBMFYSA-N 1 1 278.352 3.008 20 30 CGEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](CC)OC ZINC000419200143 380777972 /nfs/dbraw/zinc/77/79/72/380777972.db2.gz WNHUEICJBVYOOJ-OAHLLOKOSA-N 1 1 278.352 3.008 20 30 CGEDMO C[C@@H](C[N@H+](C)Cc1nc(C#N)cs1)c1ccccc1 ZINC000356192965 380793439 /nfs/dbraw/zinc/79/34/39/380793439.db2.gz MHWZGPHJXFWZMS-LBPRGKRZSA-N 1 1 271.389 3.250 20 30 CGEDMO C[C@@H](C[N@@H+](C)Cc1nc(C#N)cs1)c1ccccc1 ZINC000356192965 380793442 /nfs/dbraw/zinc/79/34/42/380793442.db2.gz MHWZGPHJXFWZMS-LBPRGKRZSA-N 1 1 271.389 3.250 20 30 CGEDMO CO[C@@H](C)C[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356295383 380794844 /nfs/dbraw/zinc/79/48/44/380794844.db2.gz BNGFJMUKRKRQBD-JTQLQIEISA-N 1 1 286.297 3.044 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](O)[C@H]1CCc1ccccc1 ZINC000646073206 380822078 /nfs/dbraw/zinc/82/20/78/380822078.db2.gz SEFWOOXSBBWRSN-SJORKVTESA-N 1 1 259.393 3.021 20 30 CGEDMO CO[C@@]1(C)CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000279284179 194367865 /nfs/dbraw/zinc/36/78/65/194367865.db2.gz KKCZJERVVPHIMI-HNNXBMFYSA-N 1 1 278.783 3.213 20 30 CGEDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000279284179 194367867 /nfs/dbraw/zinc/36/78/67/194367867.db2.gz KKCZJERVVPHIMI-HNNXBMFYSA-N 1 1 278.783 3.213 20 30 CGEDMO CO[C@]1(C)CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000279284182 194368244 /nfs/dbraw/zinc/36/82/44/194368244.db2.gz KKCZJERVVPHIMI-OAHLLOKOSA-N 1 1 278.783 3.213 20 30 CGEDMO CO[C@]1(C)CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000279284182 194368245 /nfs/dbraw/zinc/36/82/45/194368245.db2.gz KKCZJERVVPHIMI-OAHLLOKOSA-N 1 1 278.783 3.213 20 30 CGEDMO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC000334782047 207065852 /nfs/dbraw/zinc/06/58/52/207065852.db2.gz UKEPXTBZWOVLRH-GZMMTYOYSA-N 1 1 274.311 3.392 20 30 CGEDMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)s1 ZINC000334782047 207065856 /nfs/dbraw/zinc/06/58/56/207065856.db2.gz UKEPXTBZWOVLRH-GZMMTYOYSA-N 1 1 274.311 3.392 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)c(Cl)c1 ZINC000334804199 207105215 /nfs/dbraw/zinc/10/52/15/207105215.db2.gz LFZXQNJCQKBAJK-GDBMZVCRSA-N 1 1 290.794 3.213 20 30 CGEDMO C=C(CC)C[N@@H+](CCCC(=O)OC)Cc1ccccc1 ZINC000358494464 381312101 /nfs/dbraw/zinc/31/21/01/381312101.db2.gz FURCGNMVAHXPPL-UHFFFAOYSA-N 1 1 275.392 3.408 20 30 CGEDMO CC[C@@H](C)C[N@@H+](CC)CCOc1ccc(C#N)cc1OC ZINC000361338304 381705930 /nfs/dbraw/zinc/70/59/30/381705930.db2.gz WJCAAFGSVQLBNQ-CQSZACIVSA-N 1 1 290.407 3.314 20 30 CGEDMO COCC[N@@H+](Cc1ccc(F)cc1C#N)[C@@H]1CC[C@H](C)C1 ZINC000362144607 381888097 /nfs/dbraw/zinc/88/80/97/381888097.db2.gz RDTBXZKEYHSPCF-SUMWQHHRSA-N 1 1 290.382 3.334 20 30 CGEDMO COCC[N@@H+](Cc1cccc(C#N)c1F)[C@@H]1CC[C@@H](C)C1 ZINC000362159180 381892148 /nfs/dbraw/zinc/89/21/48/381892148.db2.gz UTHCRTUKVLSMIP-CZUORRHYSA-N 1 1 290.382 3.334 20 30 CGEDMO CC[C@@]1(C)CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000362384504 381966776 /nfs/dbraw/zinc/96/67/76/381966776.db2.gz GULJCEMQGWECDY-SFHVURJKSA-N 1 1 299.418 3.399 20 30 CGEDMO CCSCC[C@@H](C)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000362457269 381999646 /nfs/dbraw/zinc/99/96/46/381999646.db2.gz YWKKLHLISOFZOK-CQSZACIVSA-N 1 1 292.448 3.401 20 30 CGEDMO N#Cc1ccncc1N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000363531998 382230458 /nfs/dbraw/zinc/23/04/58/382230458.db2.gz DEECPTOMJLIWOL-QGZVFWFLSA-N 1 1 292.386 3.030 20 30 CGEDMO C=C(C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21)c1ccccc1 ZINC000367620564 382352660 /nfs/dbraw/zinc/35/26/60/382352660.db2.gz YHGDTLPIFYJDQW-KURKYZTESA-N 1 1 270.420 3.162 20 30 CGEDMO C=C(CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)c1ccccc1 ZINC000367620564 382352663 /nfs/dbraw/zinc/35/26/63/382352663.db2.gz YHGDTLPIFYJDQW-KURKYZTESA-N 1 1 270.420 3.162 20 30 CGEDMO C=C(CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)c1ccccc1 ZINC000367620564 382352671 /nfs/dbraw/zinc/35/26/71/382352671.db2.gz YHGDTLPIFYJDQW-KURKYZTESA-N 1 1 270.420 3.162 20 30 CGEDMO Cc1cc(NC(=O)[C@H]2CCC(=O)[C@@H](C)C2)cn2cc[nH+]c12 ZINC000329371962 542446079 /nfs/dbraw/zinc/44/60/79/542446079.db2.gz JEEIJFOSFLKJNB-JQWIXIFHSA-N 1 1 285.347 3.236 20 30 CGEDMO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000281416403 195232781 /nfs/dbraw/zinc/23/27/81/195232781.db2.gz YPVBAGMKKVVQIH-KRWDZBQOSA-N 1 1 280.375 3.019 20 30 CGEDMO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1cccc(C#N)c1 ZINC000281416403 195232784 /nfs/dbraw/zinc/23/27/84/195232784.db2.gz YPVBAGMKKVVQIH-KRWDZBQOSA-N 1 1 280.375 3.019 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+]([C@@H](C)C1CC1)C1CC1 ZINC000178914108 533267385 /nfs/dbraw/zinc/26/73/85/533267385.db2.gz JDWFRUGSKXRVHO-LBPRGKRZSA-N 1 1 270.376 3.330 20 30 CGEDMO C[C@@H](NCC[N@H+]1CCC[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000358571631 533395639 /nfs/dbraw/zinc/39/56/39/533395639.db2.gz OWECOJXHNNMJBZ-ZIAGYGMSSA-N 1 1 289.398 3.080 20 30 CGEDMO C[C@@H]([NH2+]CCN1CCC[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000358571631 533395643 /nfs/dbraw/zinc/39/56/43/533395643.db2.gz OWECOJXHNNMJBZ-ZIAGYGMSSA-N 1 1 289.398 3.080 20 30 CGEDMO C[C@@H]1C[C@@H](Nc2ccc(C(F)(F)F)c(C#N)c2)CC[N@H+]1C ZINC000157959635 533661011 /nfs/dbraw/zinc/66/10/11/533661011.db2.gz YKYAAYOFDBKJDZ-MFKMUULPSA-N 1 1 297.324 3.472 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@H]2c2ccccc2)cc1C#N ZINC000191204110 130201281 /nfs/dbraw/zinc/20/12/81/130201281.db2.gz GYJMGRKXOCQAOJ-KRWDZBQOSA-N 1 1 265.360 3.234 20 30 CGEDMO C[C@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191358611 130226061 /nfs/dbraw/zinc/22/60/61/130226061.db2.gz RZJYHPAHLLTBFC-BJJXKVORSA-N 1 1 257.381 3.050 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000191968138 130341719 /nfs/dbraw/zinc/34/17/19/130341719.db2.gz HCZOSIVBDPDHPK-QGZVFWFLSA-N 1 1 299.414 3.203 20 30 CGEDMO CCC(CC)C[N@@H+](CC)CC(=O)Nc1ccc(C#N)cc1 ZINC000048970464 392029605 /nfs/dbraw/zinc/02/96/05/392029605.db2.gz FSTIPJJXBZUKOW-UHFFFAOYSA-N 1 1 287.407 3.255 20 30 CGEDMO CC(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000049442447 392047958 /nfs/dbraw/zinc/04/79/58/392047958.db2.gz IQEZCISGAOYZIE-NSHDSACASA-N 1 1 293.798 3.126 20 30 CGEDMO C[C@H](c1cccs1)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000049726758 392058954 /nfs/dbraw/zinc/05/89/54/392058954.db2.gz LBUMSCOSIUMFRE-DOMZBBRYSA-N 1 1 286.400 3.346 20 30 CGEDMO Cc1cc(Br)ccc1C[N@@H+](C)[C@H](C)CC#N ZINC000093091095 392234871 /nfs/dbraw/zinc/23/48/71/392234871.db2.gz LIFPAKBWHISOAO-LLVKDONJSA-N 1 1 281.197 3.492 20 30 CGEDMO Cc1cc(Br)ccc1C[N@H+](C)[C@H](C)CC#N ZINC000093091095 392234875 /nfs/dbraw/zinc/23/48/75/392234875.db2.gz LIFPAKBWHISOAO-LLVKDONJSA-N 1 1 281.197 3.492 20 30 CGEDMO CC(C)[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000109462210 392357698 /nfs/dbraw/zinc/35/76/98/392357698.db2.gz QSIBXWURCUCFDU-INIZCTEOSA-N 1 1 285.391 3.007 20 30 CGEDMO CC[N@@H+](CCCCCO)[C@@H](C)c1ccc(C#N)cc1 ZINC000263787164 131330509 /nfs/dbraw/zinc/33/05/09/131330509.db2.gz PRYYPUJAOWBCJG-AWEZNQCLSA-N 1 1 260.381 3.104 20 30 CGEDMO Cc1nc(CC[N@H+](CCC#N)CC(C)(C)C)cs1 ZINC000124279661 392433807 /nfs/dbraw/zinc/43/38/07/392433807.db2.gz HTOFTNHQVUGPHV-UHFFFAOYSA-N 1 1 265.426 3.256 20 30 CGEDMO Cc1nc(CC[N@@H+](CCC#N)CC(C)(C)C)cs1 ZINC000124279661 392433810 /nfs/dbraw/zinc/43/38/10/392433810.db2.gz HTOFTNHQVUGPHV-UHFFFAOYSA-N 1 1 265.426 3.256 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000289868736 392434950 /nfs/dbraw/zinc/43/49/50/392434950.db2.gz RCJHNSCHKKZICW-SFHVURJKSA-N 1 1 292.382 3.431 20 30 CGEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2cccnc2C#N)C1 ZINC000290522301 392449000 /nfs/dbraw/zinc/44/90/00/392449000.db2.gz GMSKWKUZXXKZRF-HOTGVXAUSA-N 1 1 298.434 3.044 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)Cc1cccc(Cl)c1 ZINC000121164399 392408866 /nfs/dbraw/zinc/40/88/66/392408866.db2.gz LCXSNUPCJWKMQH-AWEZNQCLSA-N 1 1 253.773 3.099 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1 ZINC000292697829 392510077 /nfs/dbraw/zinc/51/00/77/392510077.db2.gz BZTGJFHRFHZUMX-CABCVRRESA-N 1 1 261.315 3.145 20 30 CGEDMO CC[N@H+]1CCCC[C@H]1CNc1cc(C#N)nc2ccccc21 ZINC000301533702 392594035 /nfs/dbraw/zinc/59/40/35/392594035.db2.gz LACZDFSGNGKNJV-HNNXBMFYSA-N 1 1 294.402 3.393 20 30 CGEDMO Cc1ccc(C)c([C@H]2C[N@H+](CCCC#N)[C@H](C)CO2)c1 ZINC000173883538 392630767 /nfs/dbraw/zinc/63/07/67/392630767.db2.gz LFJNRHKBLNDEQX-NVXWUHKLSA-N 1 1 272.392 3.369 20 30 CGEDMO Cc1ccc(C)c([C@H]2C[N@@H+](CCCC#N)[C@H](C)CO2)c1 ZINC000173883538 392630770 /nfs/dbraw/zinc/63/07/70/392630770.db2.gz LFJNRHKBLNDEQX-NVXWUHKLSA-N 1 1 272.392 3.369 20 30 CGEDMO C[C@@H]([N@@H+](C)CCC(=O)Nc1sccc1C#N)C1(C)CC1 ZINC000177219228 392661234 /nfs/dbraw/zinc/66/12/34/392661234.db2.gz GRDNMGOXVZYGDH-LLVKDONJSA-N 1 1 291.420 3.069 20 30 CGEDMO Cc1cnc(C(C)(C)[NH2+]CC#Cc2ccc(F)cc2)s1 ZINC000183922369 392759729 /nfs/dbraw/zinc/75/97/29/392759729.db2.gz MGEUGZJBTZHMQP-UHFFFAOYSA-N 1 1 288.391 3.467 20 30 CGEDMO Cc1cc(C#N)ccc1CN1CCC[N@H+](C2CCCC2)CC1 ZINC000186237706 392780942 /nfs/dbraw/zinc/78/09/42/392780942.db2.gz PYEUHJJFGGVILL-UHFFFAOYSA-N 1 1 297.446 3.317 20 30 CGEDMO Cc1cnc([C@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)s1 ZINC000192184445 392842439 /nfs/dbraw/zinc/84/24/39/392842439.db2.gz HQKFUTWGWKFYDH-JTQLQIEISA-N 1 1 275.352 3.313 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCSC[C@@H](C)C1 ZINC000190401425 392816016 /nfs/dbraw/zinc/81/60/16/392816016.db2.gz HHZOFJBXYKXKMD-LBPRGKRZSA-N 1 1 260.406 3.052 20 30 CGEDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2CCC(C)(C)C#N)C1 ZINC000338173361 392899567 /nfs/dbraw/zinc/89/95/67/392899567.db2.gz AJCTYHPPSMOWDU-UGUYLWEFSA-N 1 1 278.440 3.188 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000336451431 392856692 /nfs/dbraw/zinc/85/66/92/392856692.db2.gz FPTJRUDWQVQOIX-PBHICJAKSA-N 1 1 294.402 3.232 20 30 CGEDMO CCOc1ccc2c(c1)CC[N@@H+]([C@H]1CC[C@@H](C#N)C1)C2 ZINC000336625672 392866037 /nfs/dbraw/zinc/86/60/37/392866037.db2.gz SCHQTFMVULIBOR-CJNGLKHVSA-N 1 1 270.376 3.136 20 30 CGEDMO N#CCCOCC[N@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000338942691 392935290 /nfs/dbraw/zinc/93/52/90/392935290.db2.gz VKTLWBVOVINVLY-MRXNPFEDSA-N 1 1 264.413 3.351 20 30 CGEDMO CCC[N@@H+](CCOCCC#N)CC1CCCCC1 ZINC000338925500 392936283 /nfs/dbraw/zinc/93/62/83/392936283.db2.gz MOGTVYQGUORJOB-UHFFFAOYSA-N 1 1 252.402 3.209 20 30 CGEDMO N#CCCOCC[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000339047313 392943978 /nfs/dbraw/zinc/94/39/78/392943978.db2.gz WVUAPGWYNYZWKJ-UHFFFAOYSA-N 1 1 290.794 3.359 20 30 CGEDMO Cc1ccc([C@@H]2CCC[N@H+]2CCOCCC#N)s1 ZINC000338998278 392939415 /nfs/dbraw/zinc/93/94/15/392939415.db2.gz GRVSJUQSGZQRMH-ZDUSSCGKSA-N 1 1 264.394 3.124 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000339005917 392939815 /nfs/dbraw/zinc/93/98/15/392939815.db2.gz HUASGTGRNWXHRJ-QGZVFWFLSA-N 1 1 274.408 3.092 20 30 CGEDMO CC(C)[C@@H]1CCCC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459373612 392941359 /nfs/dbraw/zinc/94/13/59/392941359.db2.gz LAJATEYEFJJQFB-HNNXBMFYSA-N 1 1 287.363 3.477 20 30 CGEDMO COC[C@H](C)C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000526114467 392955810 /nfs/dbraw/zinc/95/58/10/392955810.db2.gz NJNKHFHHQDQIDU-OAHLLOKOSA-N 1 1 274.408 3.299 20 30 CGEDMO N#CC1(F)CC[NH+]([C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411715126 392985993 /nfs/dbraw/zinc/98/59/93/392985993.db2.gz BBGZIWRMMKTEPR-KBPBESRZSA-N 1 1 262.303 3.009 20 30 CGEDMO Cn1nccc1C1=CC[N@@H+](CCC2(C#N)CCCCC2)CC1 ZINC000411714794 392986849 /nfs/dbraw/zinc/98/68/49/392986849.db2.gz AASIUOCUNXQAFP-UHFFFAOYSA-N 1 1 298.434 3.373 20 30 CGEDMO C[C@H]1CC(C)(C)C[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000412034268 392994864 /nfs/dbraw/zinc/99/48/64/392994864.db2.gz DUFRDDIOEUDPKZ-HNNXBMFYSA-N 1 1 299.418 3.054 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC[C@@H]1CCCO1 ZINC000342598239 393003573 /nfs/dbraw/zinc/00/35/73/393003573.db2.gz SEKFMRQXYXZYQY-CJNGLKHVSA-N 1 1 258.365 3.120 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)c1 ZINC000342819098 393008358 /nfs/dbraw/zinc/00/83/58/393008358.db2.gz XRYFNQAVBWIERP-QZTJIDSGSA-N 1 1 287.403 3.395 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000343144921 393019528 /nfs/dbraw/zinc/01/95/28/393019528.db2.gz XZNXBFZSBMMGAP-QGZVFWFLSA-N 1 1 286.419 3.076 20 30 CGEDMO C[N@H+](CCCOc1cccc(Cl)c1)CC1(C#N)CC1 ZINC000343152917 393019880 /nfs/dbraw/zinc/01/98/80/393019880.db2.gz XQGWPPLKGXHVOF-UHFFFAOYSA-N 1 1 278.783 3.344 20 30 CGEDMO C[N@@H+](CCCOc1cccc(Cl)c1)CC1(C#N)CC1 ZINC000343152917 393019886 /nfs/dbraw/zinc/01/98/86/393019886.db2.gz XQGWPPLKGXHVOF-UHFFFAOYSA-N 1 1 278.783 3.344 20 30 CGEDMO CC(C)(C)[C@H]1CC[N@@H+](CCCC(C)(C)C#N)C[C@@H]1O ZINC000347788890 393108718 /nfs/dbraw/zinc/10/87/18/393108718.db2.gz KETRQHRTOLTGOG-KBPBESRZSA-N 1 1 266.429 3.045 20 30 CGEDMO COCC[N@@H+](CCC(C)(C)C#N)[C@@H]1CC[C@@H](C)C1 ZINC000347126309 393099766 /nfs/dbraw/zinc/09/97/66/393099766.db2.gz SGYAHAWFAGFBRZ-ZIAGYGMSSA-N 1 1 252.402 3.063 20 30 CGEDMO CCC1(CC)[C@H]([N@@H+](C)CCC(C)(C)C#N)C[C@@H]1OC ZINC000345734873 393066446 /nfs/dbraw/zinc/06/64/46/393066446.db2.gz YPAVNVOTUBSNAJ-KGLIPLIRSA-N 1 1 266.429 3.452 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1occc1C ZINC000348636165 393127478 /nfs/dbraw/zinc/12/74/78/393127478.db2.gz PWJQJTRQOUTUBV-UHFFFAOYSA-N 1 1 275.348 3.252 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1occc1C ZINC000348636165 393127485 /nfs/dbraw/zinc/12/74/85/393127485.db2.gz PWJQJTRQOUTUBV-UHFFFAOYSA-N 1 1 275.348 3.252 20 30 CGEDMO C=CCOc1ccc(C[NH+]2CCC(F)(C#N)CC2)cc1 ZINC000348719234 393128588 /nfs/dbraw/zinc/12/85/88/393128588.db2.gz ZNZXQCDYUGDKOV-UHFFFAOYSA-N 1 1 274.339 3.079 20 30 CGEDMO C[N@@H+](CCOc1ccccc1C#N)[C@@H]1CCC(C)(C)C1 ZINC000468391020 393139476 /nfs/dbraw/zinc/13/94/76/393139476.db2.gz AZUWGNBXIFSWIL-OAHLLOKOSA-N 1 1 272.392 3.448 20 30 CGEDMO C=CCOc1ccc(C[N@H+](CC)CCCN(C)C)cc1 ZINC000349386392 393146099 /nfs/dbraw/zinc/14/60/99/393146099.db2.gz SIVZFNAHXIATBY-UHFFFAOYSA-N 1 1 276.424 3.025 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](CC)CCCN(C)C)cc1 ZINC000349386392 393146109 /nfs/dbraw/zinc/14/61/09/393146109.db2.gz SIVZFNAHXIATBY-UHFFFAOYSA-N 1 1 276.424 3.025 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000354416289 393243938 /nfs/dbraw/zinc/24/39/38/393243938.db2.gz VRQVHCJELQLBFJ-HNNXBMFYSA-N 1 1 276.424 3.207 20 30 CGEDMO C=CC[NH+](CC=C)[C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000355453331 393328004 /nfs/dbraw/zinc/32/80/04/393328004.db2.gz HERBBHXZSFWRLB-ZIAGYGMSSA-N 1 1 290.382 3.065 20 30 CGEDMO C=CC[NH+](CC=C)[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000355453329 393328705 /nfs/dbraw/zinc/32/87/05/393328705.db2.gz HERBBHXZSFWRLB-UONOGXRCSA-N 1 1 290.382 3.065 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)[C@H](C)c2ccccc2C)n1 ZINC000279788013 393336280 /nfs/dbraw/zinc/33/62/80/393336280.db2.gz VDWDICFJVXLZLA-MRXNPFEDSA-N 1 1 281.403 3.408 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)[C@H](C)c2ccccc2C)n1 ZINC000279788013 393336285 /nfs/dbraw/zinc/33/62/85/393336285.db2.gz VDWDICFJVXLZLA-MRXNPFEDSA-N 1 1 281.403 3.408 20 30 CGEDMO Cc1cc(C[N@@H+](C)Cc2cc(Cl)cn2C)ccc1C#N ZINC000488189820 393469489 /nfs/dbraw/zinc/46/94/89/393469489.db2.gz BQWAYSCEYHTQQQ-UHFFFAOYSA-N 1 1 287.794 3.491 20 30 CGEDMO Cc1cc(C[N@H+](C)Cc2cc(Cl)cn2C)ccc1C#N ZINC000488189820 393469496 /nfs/dbraw/zinc/46/94/96/393469496.db2.gz BQWAYSCEYHTQQQ-UHFFFAOYSA-N 1 1 287.794 3.491 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cc2n(n1)CCCC2 ZINC000649538864 393473897 /nfs/dbraw/zinc/47/38/97/393473897.db2.gz BAOAWMNARYSXST-UHFFFAOYSA-N 1 1 261.413 3.398 20 30 CGEDMO C=C(C)[C@@H](NC[C@H]1CCC[N@H+]1C)c1ccc(F)c(F)c1 ZINC000649587129 393503560 /nfs/dbraw/zinc/50/35/60/393503560.db2.gz BADDEURIOZQRKX-CZUORRHYSA-N 1 1 280.362 3.266 20 30 CGEDMO Cc1cn2cc(Nc3snc(C)c3C#N)ccc2[nH+]1 ZINC000360993509 393632363 /nfs/dbraw/zinc/63/23/63/393632363.db2.gz BXXBQIVUAZAUEL-UHFFFAOYSA-N 1 1 269.333 3.023 20 30 CGEDMO CC1(C)CCCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000446058327 393842432 /nfs/dbraw/zinc/84/24/32/393842432.db2.gz AZPKHYWMGWYYDZ-UHFFFAOYSA-N 1 1 299.418 3.399 20 30 CGEDMO C=CCC1(C(=O)NCC[N@@H+]2CCCC[C@H]2C)CCCC1 ZINC000449626103 393925532 /nfs/dbraw/zinc/92/55/32/393925532.db2.gz CTOOESOWIDHAGC-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO CO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)cc2F)C12CCC2 ZINC000449635183 393930444 /nfs/dbraw/zinc/93/04/44/393930444.db2.gz TTWNWPWIJCHZIR-HOTGVXAUSA-N 1 1 288.366 3.087 20 30 CGEDMO CCc1ncc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)o1 ZINC000453400640 394233685 /nfs/dbraw/zinc/23/36/85/394233685.db2.gz YRUIGYRKWHTVHH-SNVBAGLBSA-N 1 1 273.311 3.099 20 30 CGEDMO C=CCN(Cc1c[nH+]c(C)n1C)Cc1ccccc1F ZINC000667544341 542887060 /nfs/dbraw/zinc/88/70/60/542887060.db2.gz DTWNWSAGWSWEPP-UHFFFAOYSA-N 1 1 273.355 3.056 20 30 CGEDMO C=CC[N@H+](Cc1ccc(O[C@@H](C)COC)cc1)C1CC1 ZINC000667982820 542953583 /nfs/dbraw/zinc/95/35/83/542953583.db2.gz RHAKEZOKCUBJOY-AWEZNQCLSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CCCCCC[N@H+](C)CN1C[C@@H](CCC)CC1=O ZINC000743371603 572655574 /nfs/dbraw/zinc/65/55/74/572655574.db2.gz WWYWITLECXRGHU-HNNXBMFYSA-N 1 1 266.429 3.271 20 30 CGEDMO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]CC1(C#N)CC1 ZINC000351201580 285618040 /nfs/dbraw/zinc/61/80/40/285618040.db2.gz KPTSYOWAUZKHDN-SMDDNHRTSA-N 1 1 278.783 3.309 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCO[C@](C)(C3CC3)C2)c1 ZINC000668463483 543016139 /nfs/dbraw/zinc/01/61/39/543016139.db2.gz RAVPPIJLEKATBF-SFHVURJKSA-N 1 1 287.403 3.252 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2c(C(F)(F)F)cnn2C)C1 ZINC000668494381 543020621 /nfs/dbraw/zinc/02/06/21/543020621.db2.gz YMBMVYHZJASESH-LLVKDONJSA-N 1 1 287.329 3.227 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2c(C(F)(F)F)cnn2C)C1 ZINC000668494381 543020624 /nfs/dbraw/zinc/02/06/24/543020624.db2.gz YMBMVYHZJASESH-LLVKDONJSA-N 1 1 287.329 3.227 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC3(COC3)C2)cc1Cl ZINC000668720583 543049994 /nfs/dbraw/zinc/04/99/94/543049994.db2.gz XZHYXBXGKCFPSF-UHFFFAOYSA-N 1 1 293.794 3.127 20 30 CGEDMO COCC#CC[N@@H+](C)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000672565825 543216953 /nfs/dbraw/zinc/21/69/53/543216953.db2.gz PVKNRHZGLMLKAK-CYBMUJFWSA-N 1 1 299.336 3.218 20 30 CGEDMO CC[C@@H]1C[N@@H+](CC#CCOC)CC[C@@H]1c1ccccc1 ZINC000677133034 543435666 /nfs/dbraw/zinc/43/56/66/543435666.db2.gz DUBYOPKPXQPKNZ-AEFFLSMTSA-N 1 1 271.404 3.152 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000678625491 543547510 /nfs/dbraw/zinc/54/75/10/543547510.db2.gz WOWYJMAPNOQWSE-KRWDZBQOSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C(CC)CN1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000678625491 543547511 /nfs/dbraw/zinc/54/75/11/543547511.db2.gz WOWYJMAPNOQWSE-KRWDZBQOSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C(CC)CN1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000678625491 543547512 /nfs/dbraw/zinc/54/75/12/543547512.db2.gz WOWYJMAPNOQWSE-KRWDZBQOSA-N 1 1 258.409 3.159 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000678715844 543550814 /nfs/dbraw/zinc/55/08/14/543550814.db2.gz FYDNZOBNVVJAEB-TUAOUCFPSA-N 1 1 265.319 3.383 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000678715844 543550818 /nfs/dbraw/zinc/55/08/18/543550818.db2.gz FYDNZOBNVVJAEB-TUAOUCFPSA-N 1 1 265.319 3.383 20 30 CGEDMO CO[C@]1(C)CCC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000279299484 286161083 /nfs/dbraw/zinc/16/10/83/286161083.db2.gz LZRQSYWGZSNHMX-XJKSGUPXSA-N 1 1 258.365 3.120 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc(F)cc1C#N)C1CCOCC1 ZINC000077323308 165119695 /nfs/dbraw/zinc/11/96/95/165119695.db2.gz QITVXESHTCLPFS-UHFFFAOYSA-N 1 1 276.355 3.087 20 30 CGEDMO CC[C@@H]1C[N@@H+](CCCC(C)(C)C#N)[C@@H](CC)CN1C(C)=O ZINC000350473153 287193141 /nfs/dbraw/zinc/19/31/41/287193141.db2.gz FLJQVNBDUNDQGO-JKSUJKDBSA-N 1 1 293.455 3.038 20 30 CGEDMO Cc1cc(C)c(C#N)c(SCC[C@@H]2CCC[N@@H+]2C)n1 ZINC000006897561 170253777 /nfs/dbraw/zinc/25/37/77/170253777.db2.gz LAGSOYSLVVRVMY-ZDUSSCGKSA-N 1 1 275.421 3.147 20 30 CGEDMO C[C@H](NCCC[NH+]1CCCCC1)c1ccc(C#N)cc1 ZINC000020128759 171016243 /nfs/dbraw/zinc/01/62/43/171016243.db2.gz UQRZSUVEASJESN-HNNXBMFYSA-N 1 1 271.408 3.085 20 30 CGEDMO CSCC[C@@H](C)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000126443266 287265101 /nfs/dbraw/zinc/26/51/01/287265101.db2.gz GTGFQAZCVCURBK-CYBMUJFWSA-N 1 1 278.421 3.010 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@H](F)C2)cc1 ZINC000679357746 543627173 /nfs/dbraw/zinc/62/71/73/543627173.db2.gz FISXUXHXIKEIRS-XJKSGUPXSA-N 1 1 263.356 3.431 20 30 CGEDMO C=C(CC)C[N@@H+](Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000679676467 543655460 /nfs/dbraw/zinc/65/54/60/543655460.db2.gz XWAJBSXRZQOTOT-CQSZACIVSA-N 1 1 287.325 3.378 20 30 CGEDMO C=C(CC)C[N@H+](Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000679676467 543655463 /nfs/dbraw/zinc/65/54/63/543655463.db2.gz XWAJBSXRZQOTOT-CQSZACIVSA-N 1 1 287.325 3.378 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000679739439 543658869 /nfs/dbraw/zinc/65/88/69/543658869.db2.gz DTEMFNIUXZUJPB-CQSZACIVSA-N 1 1 297.345 3.455 20 30 CGEDMO CC#CCC[N@@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000680883397 543741566 /nfs/dbraw/zinc/74/15/66/543741566.db2.gz QHJCHGYGVRQHSK-ZWKOTPCHSA-N 1 1 271.404 3.500 20 30 CGEDMO O[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C2(CCC2)C1 ZINC000334969607 225378711 /nfs/dbraw/zinc/37/87/11/225378711.db2.gz WWCHHXLWUQSXPO-OAHLLOKOSA-N 1 1 289.806 3.071 20 30 CGEDMO O[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C2(CCC2)C1 ZINC000334969607 225378715 /nfs/dbraw/zinc/37/87/15/225378715.db2.gz WWCHHXLWUQSXPO-OAHLLOKOSA-N 1 1 289.806 3.071 20 30 CGEDMO C=CCC[N@@H+](C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000682435498 543845517 /nfs/dbraw/zinc/84/55/17/543845517.db2.gz VXZHICUHHLPZKO-UHFFFAOYSA-N 1 1 257.337 3.053 20 30 CGEDMO C=CCC[N@H+](C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000682435498 543845521 /nfs/dbraw/zinc/84/55/21/543845521.db2.gz VXZHICUHHLPZKO-UHFFFAOYSA-N 1 1 257.337 3.053 20 30 CGEDMO Cc1cccc2nc(C[NH2+][C@H]3CCC[C@@H](C#N)C3)[nH]c21 ZINC000336628793 227220842 /nfs/dbraw/zinc/22/08/42/227220842.db2.gz MZTNNEKPDOQSOC-OLZOCXBDSA-N 1 1 268.364 3.043 20 30 CGEDMO C=CCCC(C)(C)NC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000664397135 418950188 /nfs/dbraw/zinc/95/01/88/418950188.db2.gz OJUPSSNFIXYQAQ-HNNXBMFYSA-N 1 1 295.471 3.008 20 30 CGEDMO C=CCCc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000655054931 419017247 /nfs/dbraw/zinc/01/72/47/419017247.db2.gz NTDPOQOFYBHHPG-AWEZNQCLSA-N 1 1 272.392 3.086 20 30 CGEDMO C=CCCn1cc(C[N@H+](CCCCC)C(C)C)nn1 ZINC000653492456 419038345 /nfs/dbraw/zinc/03/83/45/419038345.db2.gz NHMYYORMAJCPLZ-UHFFFAOYSA-N 1 1 264.417 3.255 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CC[C@H](C)[C@H]3CCCC[C@H]32)nn1 ZINC000653493478 419038390 /nfs/dbraw/zinc/03/83/90/419038390.db2.gz XRSLCAPIVKIWPC-USXIJHARSA-N 1 1 288.439 3.255 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@@H](C)c2ccc(Cl)cc2)nn1 ZINC000653572300 419053890 /nfs/dbraw/zinc/05/38/90/419053890.db2.gz WYQYBNWRJAKYNN-LBPRGKRZSA-N 1 1 290.798 3.358 20 30 CGEDMO C=CCCn1cc(C[NH2+]C(C)(C)c2cccc(F)c2)nn1 ZINC000653604957 419058199 /nfs/dbraw/zinc/05/81/99/419058199.db2.gz ABSGFJNKXCCMBN-UHFFFAOYSA-N 1 1 288.370 3.018 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)C[C@@H](OC)[C@@H]1CCOC1 ZINC000660446975 419146627 /nfs/dbraw/zinc/14/66/27/419146627.db2.gz VSMXDDNKAODRSY-QZTJIDSGSA-N 1 1 289.419 3.116 20 30 CGEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H]1CCO[C@H](C)C1 ZINC000660539859 419157985 /nfs/dbraw/zinc/15/79/85/419157985.db2.gz PAQAWDFQNWYLQG-NVXWUHKLSA-N 1 1 291.439 3.410 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1OC1CC1)[C@@H](C)COC ZINC000661239627 419243114 /nfs/dbraw/zinc/24/31/14/419243114.db2.gz HVCNXHGSYUVGKD-AWEZNQCLSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)N2CCCCCC2)C1 ZINC000661378912 419255212 /nfs/dbraw/zinc/25/52/12/419255212.db2.gz OGTCVLRJJBDSBQ-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2nc(Cc3ccccc3)no2)C1 ZINC000661378670 419255832 /nfs/dbraw/zinc/25/58/32/419255832.db2.gz JZWWPIKOYBPAHH-MRXNPFEDSA-N 1 1 297.402 3.449 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2nc(Cc3ccccc3)no2)C1 ZINC000661378670 419255834 /nfs/dbraw/zinc/25/58/34/419255834.db2.gz JZWWPIKOYBPAHH-MRXNPFEDSA-N 1 1 297.402 3.449 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](CCCC2CCOCC2)C1 ZINC000661384084 419255868 /nfs/dbraw/zinc/25/58/68/419255868.db2.gz GROCEUVTMHKYMB-MRXNPFEDSA-N 1 1 251.414 3.481 20 30 CGEDMO C[C@H](CO)[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1Cl ZINC000661441906 419261294 /nfs/dbraw/zinc/26/12/94/419261294.db2.gz IIOVEZQGHGLVMI-PBHICJAKSA-N 1 1 291.822 3.174 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)[C@@H]1CCO ZINC000661502021 419267946 /nfs/dbraw/zinc/26/79/46/419267946.db2.gz YXTYEELBUPQNEO-RHSMWYFYSA-N 1 1 291.822 3.174 20 30 CGEDMO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1noc(C(C)C)n1 ZINC000661116024 419231696 /nfs/dbraw/zinc/23/16/96/419231696.db2.gz GXNYTFUCGMPBSM-OLZOCXBDSA-N 1 1 263.385 3.418 20 30 CGEDMO C=CC[C@@H](CC)NC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000661121759 419232731 /nfs/dbraw/zinc/23/27/31/419232731.db2.gz GDAIJDIUDCJVQO-HUUCEWRRSA-N 1 1 293.455 3.047 20 30 CGEDMO C=CCCCCC[NH2+]Cc1ccnn1-c1ccncc1 ZINC000657504112 419295764 /nfs/dbraw/zinc/29/57/64/419295764.db2.gz BRAFCWVDFSJMTQ-UHFFFAOYSA-N 1 1 270.380 3.103 20 30 CGEDMO C=CC[N@H+](CCc1nc2ccccc2c(=O)[nH]1)C(C)(C)C ZINC000661760317 419296134 /nfs/dbraw/zinc/29/61/34/419296134.db2.gz QREWBTMHUWPMPI-UHFFFAOYSA-N 1 1 285.391 3.164 20 30 CGEDMO Cc1cc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)cc2n[nH]cc21 ZINC000330232510 228074623 /nfs/dbraw/zinc/07/46/23/228074623.db2.gz RPOGAOSWKOCHPT-OAHLLOKOSA-N 1 1 284.363 3.086 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(-c2ccsc2)no1 ZINC000662079802 419333630 /nfs/dbraw/zinc/33/36/30/419333630.db2.gz NDJSCHBLSUJSEC-BETUJISGSA-N 1 1 287.388 3.481 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOCC(F)(F)C(F)F ZINC000662089629 419334345 /nfs/dbraw/zinc/33/43/45/419334345.db2.gz DASZUBOOZOHKAA-PHIMTYICSA-N 1 1 281.293 3.086 20 30 CGEDMO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(CCCOC)CC1 ZINC000657868240 419396621 /nfs/dbraw/zinc/39/66/21/419396621.db2.gz ZJEDYPHWKVDACL-AEFFLSMTSA-N 1 1 294.483 3.212 20 30 CGEDMO CC(C)[N@@H+](CCCCC#N)CC(=O)Nc1ccc(F)cc1 ZINC000071016271 260271745 /nfs/dbraw/zinc/27/17/45/260271745.db2.gz CPUIJCGUXSBBNZ-UHFFFAOYSA-N 1 1 291.370 3.168 20 30 CGEDMO C=CCNC(=O)C[N@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000517859157 260311935 /nfs/dbraw/zinc/31/19/35/260311935.db2.gz JJGVJGAIDQYLSX-UHFFFAOYSA-N 1 1 294.398 3.106 20 30 CGEDMO C=CCNC(=O)C[N@@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000517859157 260311936 /nfs/dbraw/zinc/31/19/36/260311936.db2.gz JJGVJGAIDQYLSX-UHFFFAOYSA-N 1 1 294.398 3.106 20 30 CGEDMO CC[N@@H+](CCCSCC#N)Cc1cccs1 ZINC000080626037 260317498 /nfs/dbraw/zinc/31/74/98/260317498.db2.gz RBPPISYBRDSUGZ-UHFFFAOYSA-N 1 1 254.424 3.217 20 30 CGEDMO C=CCC[C@@H](NC(=O)[C@H](C)[NH+]1CC(C)C1)c1ccccc1 ZINC000518212151 260356842 /nfs/dbraw/zinc/35/68/42/260356842.db2.gz CVCHQFXAZIPPPK-DOTOQJQBSA-N 1 1 286.419 3.150 20 30 CGEDMO CN1CC[N@@H+](CC(C)(C)CCC#N)[C@@H](c2ccccc2)C1 ZINC000155205740 261099389 /nfs/dbraw/zinc/09/93/89/261099389.db2.gz HFTDUFZABBKWRV-QGZVFWFLSA-N 1 1 285.435 3.305 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000497196412 262098837 /nfs/dbraw/zinc/09/88/37/262098837.db2.gz ABGBLSKFWMGROL-WBVHZDCISA-N 1 1 289.419 3.234 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000336806191 262395736 /nfs/dbraw/zinc/39/57/36/262395736.db2.gz KOEQRUSGUWZZAP-GJZGRUSLSA-N 1 1 264.413 3.207 20 30 CGEDMO Cc1nnc([C@H]2CCC[N@@H+](CCCCC(C)(C)C#N)C2)[nH]1 ZINC000336845372 262399097 /nfs/dbraw/zinc/39/90/97/262399097.db2.gz MPTRCZBTWMBNKN-AWEZNQCLSA-N 1 1 289.427 3.013 20 30 CGEDMO Cc1n[nH]c([C@H]2CCC[N@H+](CCCCC(C)(C)C#N)C2)n1 ZINC000336845372 262399098 /nfs/dbraw/zinc/39/90/98/262399098.db2.gz MPTRCZBTWMBNKN-AWEZNQCLSA-N 1 1 289.427 3.013 20 30 CGEDMO Cc1n[nH]c([C@H]2CCC[N@@H+](CCCCC(C)(C)C#N)C2)n1 ZINC000336845372 262399100 /nfs/dbraw/zinc/39/91/00/262399100.db2.gz MPTRCZBTWMBNKN-AWEZNQCLSA-N 1 1 289.427 3.013 20 30 CGEDMO Cc1nc([C@H]2CCC[N@H+](CCCCC(C)(C)C#N)C2)n[nH]1 ZINC000336845372 262399102 /nfs/dbraw/zinc/39/91/02/262399102.db2.gz MPTRCZBTWMBNKN-AWEZNQCLSA-N 1 1 289.427 3.013 20 30 CGEDMO Cc1nc([C@H]2CCC[N@@H+](CCCCC(C)(C)C#N)C2)n[nH]1 ZINC000336845372 262399104 /nfs/dbraw/zinc/39/91/04/262399104.db2.gz MPTRCZBTWMBNKN-AWEZNQCLSA-N 1 1 289.427 3.013 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)[C@H](C)c1cnc(C)cn1 ZINC000411496910 262696528 /nfs/dbraw/zinc/69/65/28/262696528.db2.gz YWTABGSGDRRNEX-CQSZACIVSA-N 1 1 271.364 3.170 20 30 CGEDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000271495535 262996973 /nfs/dbraw/zinc/99/69/73/262996973.db2.gz IMWSBOFIVIOCSG-DZGCQCFKSA-N 1 1 258.365 3.352 20 30 CGEDMO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C)(C#N)CC1 ZINC000272523797 263005648 /nfs/dbraw/zinc/00/56/48/263005648.db2.gz HREKXSQSHKLEMQ-GFCCVEGCSA-N 1 1 273.336 3.281 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@@H+](C)Cc2ccccn2)cc1 ZINC000273428947 263016780 /nfs/dbraw/zinc/01/67/80/263016780.db2.gz SPNUFJIKGPKWRD-UHFFFAOYSA-N 1 1 294.402 3.063 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000281186226 263066914 /nfs/dbraw/zinc/06/69/14/263066914.db2.gz RBSQTSAZWRPYDQ-SJORKVTESA-N 1 1 284.403 3.241 20 30 CGEDMO N#CC1(CCC[N@@H+](Cc2cccnc2)C2CC2)CCOCC1 ZINC000282022089 263073691 /nfs/dbraw/zinc/07/36/91/263073691.db2.gz PIHMOHOFHVWNBB-UHFFFAOYSA-N 1 1 299.418 3.147 20 30 CGEDMO CN1CC[N@@H+](CCCC(C)(C)C#N)C[C@@H]1Cc1ccccc1 ZINC000284797326 263087952 /nfs/dbraw/zinc/08/79/52/263087952.db2.gz PEDWCXLRHSDVTR-SFHVURJKSA-N 1 1 299.462 3.175 20 30 CGEDMO C[N@@H+]1CCN(CCCC(C)(C)C#N)C[C@@H]1Cc1ccccc1 ZINC000284797326 263087953 /nfs/dbraw/zinc/08/79/53/263087953.db2.gz PEDWCXLRHSDVTR-SFHVURJKSA-N 1 1 299.462 3.175 20 30 CGEDMO C[N@H+]1CCN(CCCC(C)(C)C#N)C[C@@H]1Cc1ccccc1 ZINC000284797326 263087954 /nfs/dbraw/zinc/08/79/54/263087954.db2.gz PEDWCXLRHSDVTR-SFHVURJKSA-N 1 1 299.462 3.175 20 30 CGEDMO CC1(C)C[N@@H+](CCCSCC#N)Cc2ccccc2O1 ZINC000289142842 263107797 /nfs/dbraw/zinc/10/77/97/263107797.db2.gz YTGHJLBDGPJIPI-UHFFFAOYSA-N 1 1 290.432 3.306 20 30 CGEDMO Cc1ncsc1CO[NH+]=C(N)CCCc1ccccc1 ZINC000289494537 263110668 /nfs/dbraw/zinc/11/06/68/263110668.db2.gz ZJFGZTJKRSBVES-UHFFFAOYSA-N 1 1 289.404 3.263 20 30 CGEDMO CC[C@@](C)(C#N)C(=O)Nc1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC000291156774 263120440 /nfs/dbraw/zinc/12/04/40/263120440.db2.gz HWVHEPBSOVVIKK-KRWDZBQOSA-N 1 1 296.374 3.368 20 30 CGEDMO C=CC[N@@H+](CCC#N)CCCc1ccccc1OC ZINC000292276571 263130485 /nfs/dbraw/zinc/13/04/85/263130485.db2.gz SOXVQQNFGUUUHV-UHFFFAOYSA-N 1 1 258.365 3.029 20 30 CGEDMO C=CC[N@H+](CCC#N)CCCc1ccccc1OC ZINC000292276571 263130486 /nfs/dbraw/zinc/13/04/86/263130486.db2.gz SOXVQQNFGUUUHV-UHFFFAOYSA-N 1 1 258.365 3.029 20 30 CGEDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CCOCCC#N ZINC000292895073 263136085 /nfs/dbraw/zinc/13/60/85/263136085.db2.gz VKNUENWJOLHCQI-KRWDZBQOSA-N 1 1 274.408 3.178 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](Nc3ccccc3)C2)C1 ZINC000293836471 263150707 /nfs/dbraw/zinc/15/07/07/263150707.db2.gz QESQVJMQQYXFJP-HYVNUMGLSA-N 1 1 269.392 3.255 20 30 CGEDMO Cn1ccnc1[C@@H]1[N@H+](CC(C)(C)CCC#N)CC1(C)C ZINC000294725382 263166731 /nfs/dbraw/zinc/16/67/31/263166731.db2.gz FUNOAVUCIYWGRN-ZDUSSCGKSA-N 1 1 274.412 3.133 20 30 CGEDMO Cn1ccnc1[C@@H]1[N@@H+](CC(C)(C)CCC#N)CC1(C)C ZINC000294725382 263166733 /nfs/dbraw/zinc/16/67/33/263166733.db2.gz FUNOAVUCIYWGRN-ZDUSSCGKSA-N 1 1 274.412 3.133 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@](C)(F)C2)cc1 ZINC000295968029 263184208 /nfs/dbraw/zinc/18/42/08/263184208.db2.gz IGMFNGSMAQABHT-KRWDZBQOSA-N 1 1 289.398 3.360 20 30 CGEDMO C[N@@H+](CCC(C)(C)C#N)[C@@H](CO)c1ccc(Cl)cc1 ZINC000296459643 263192021 /nfs/dbraw/zinc/19/20/21/263192021.db2.gz WZYCIGDVRLYSNL-AWEZNQCLSA-N 1 1 280.799 3.245 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@H](C#N)C1 ZINC000297716326 263208801 /nfs/dbraw/zinc/20/88/01/263208801.db2.gz BFKPFKJHEUONOT-RDJZCZTQSA-N 1 1 265.360 3.239 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000298044875 263214250 /nfs/dbraw/zinc/21/42/50/263214250.db2.gz DEOSNNQTFXTTPB-GOEBONIOSA-N 1 1 257.381 3.255 20 30 CGEDMO CCCCCCCC(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000299084414 263230005 /nfs/dbraw/zinc/23/00/05/263230005.db2.gz MHMGJPGULUBZTG-CQSZACIVSA-N 1 1 279.428 3.304 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000299201817 263234907 /nfs/dbraw/zinc/23/49/07/263234907.db2.gz GGTHIISDFJBJTM-NVXWUHKLSA-N 1 1 272.392 3.217 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCCN(CC(F)F)CC1 ZINC000341098390 263322482 /nfs/dbraw/zinc/32/24/82/263322482.db2.gz CASSEQGNLAFFJR-CYBMUJFWSA-N 1 1 260.372 3.004 20 30 CGEDMO C=C1CC[NH+]([C@H](C)C(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000342010943 263377561 /nfs/dbraw/zinc/37/75/61/263377561.db2.gz SMSGNWLHBKLDGI-OAHLLOKOSA-N 1 1 272.392 3.282 20 30 CGEDMO C=CC[C@H](C)NC(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000342485887 263441570 /nfs/dbraw/zinc/44/15/70/263441570.db2.gz XFPXCQJOPLKCIR-GJZGRUSLSA-N 1 1 295.471 3.151 20 30 CGEDMO CC1=C(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CCC1 ZINC000331220700 264166294 /nfs/dbraw/zinc/16/62/94/264166294.db2.gz ABNDMNSWUQJEMM-CYBMUJFWSA-N 1 1 293.411 3.081 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000132606812 264392808 /nfs/dbraw/zinc/39/28/08/264392808.db2.gz UGWMZINGQWJJGN-UHFFFAOYSA-N 1 1 292.810 3.064 20 30 CGEDMO Cc1noc(C)c1C(C)(C)[NH2+]CC#Cc1ccccc1 ZINC000285625644 264555318 /nfs/dbraw/zinc/55/53/18/264555318.db2.gz KZIOAEAZSBADJS-UHFFFAOYSA-N 1 1 268.360 3.168 20 30 CGEDMO CC[N@@H+](CCOc1cccc(C#N)c1)Cc1ccccc1 ZINC000034674409 270027702 /nfs/dbraw/zinc/02/77/02/270027702.db2.gz LEOBLZWQIOBZLD-UHFFFAOYSA-N 1 1 280.371 3.459 20 30 CGEDMO CC[N@@H+](CCOc1ccc(C#N)cc1)C1CCCC1 ZINC000035766100 270027937 /nfs/dbraw/zinc/02/79/37/270027937.db2.gz QPLLLXPTDMMGRB-UHFFFAOYSA-N 1 1 258.365 3.202 20 30 CGEDMO CC(C)(C)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000521062946 270100072 /nfs/dbraw/zinc/10/00/72/270100072.db2.gz DOFUCUXTQDQPPO-AWEZNQCLSA-N 1 1 257.381 3.211 20 30 CGEDMO C=CCCC1(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000356519445 266129904 /nfs/dbraw/zinc/12/99/04/266129904.db2.gz NBIRKMIXWQQFNS-MRXNPFEDSA-N 1 1 292.467 3.217 20 30 CGEDMO CCCCCCC[N@H+]1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000362925927 267062604 /nfs/dbraw/zinc/06/26/04/267062604.db2.gz MWPSYWGFMARFSQ-UHFFFAOYSA-N 1 1 291.439 3.133 20 30 CGEDMO C=C(Cl)C[NH+]1CCC([C@H]2C(=O)Nc3ccccc32)CC1 ZINC000363190128 267079802 /nfs/dbraw/zinc/07/98/02/267079802.db2.gz PTPCBANZAPBSCG-OAHLLOKOSA-N 1 1 290.794 3.187 20 30 CGEDMO N#CCCCC[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000369287774 267232488 /nfs/dbraw/zinc/23/24/88/267232488.db2.gz KOXUFVCCCSSNND-MRXNPFEDSA-N 1 1 258.365 3.224 20 30 CGEDMO CSc1ccc(C[NH2+]CC2(C#N)CCC2)s1 ZINC000418144863 267366438 /nfs/dbraw/zinc/36/64/38/267366438.db2.gz VGUMJINMNWDKKJ-UHFFFAOYSA-N 1 1 252.408 3.253 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000371330106 267392223 /nfs/dbraw/zinc/39/22/23/267392223.db2.gz AQCKNWITQGVVGP-DLBZAZTESA-N 1 1 287.403 3.110 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CC[C@]3(C2)CCCOC3)c1 ZINC000375305425 267845782 /nfs/dbraw/zinc/84/57/82/267845782.db2.gz WQCUHMFBVJJRHB-SFHVURJKSA-N 1 1 287.403 3.254 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000123270122 268020586 /nfs/dbraw/zinc/02/05/86/268020586.db2.gz QODPQVLWETUDDX-HOTGVXAUSA-N 1 1 295.810 3.040 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000123270122 268020587 /nfs/dbraw/zinc/02/05/87/268020587.db2.gz QODPQVLWETUDDX-HOTGVXAUSA-N 1 1 295.810 3.040 20 30 CGEDMO N#Cc1ccc(CNC[C@@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC000527752540 268233721 /nfs/dbraw/zinc/23/37/21/268233721.db2.gz OBESWZYUHKXEST-SFHVURJKSA-N 1 1 283.419 3.055 20 30 CGEDMO N#Cc1ccc(CNC[C@@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000527752540 268233724 /nfs/dbraw/zinc/23/37/24/268233724.db2.gz OBESWZYUHKXEST-SFHVURJKSA-N 1 1 283.419 3.055 20 30 CGEDMO C[C@H]([N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1)C(C)(C)C ZINC000533250556 270222477 /nfs/dbraw/zinc/22/24/77/270222477.db2.gz WNIKZHNQKKFVLE-LBPRGKRZSA-N 1 1 298.390 3.475 20 30 CGEDMO CN1CCC[C@@H]([NH2+]Cc2nc(C#N)cs2)c2ccccc21 ZINC000449647537 273879322 /nfs/dbraw/zinc/87/93/22/273879322.db2.gz DUJSDUBNACWVGC-CQSZACIVSA-N 1 1 298.415 3.076 20 30 CGEDMO COC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356050572 274041789 /nfs/dbraw/zinc/04/17/89/274041789.db2.gz FXWUAAXQMAIASK-SNVBAGLBSA-N 1 1 286.297 3.044 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ccncc2C#N)C1 ZINC000368372989 274286562 /nfs/dbraw/zinc/28/65/62/274286562.db2.gz ACHYOOSZMRTCPG-CVEARBPZSA-N 1 1 298.434 3.044 20 30 CGEDMO C[C@@]1(CN[C@H]2CCCCc3cc(C#N)ccc32)CCC[NH2+]C1 ZINC000423343095 274451113 /nfs/dbraw/zinc/45/11/13/274451113.db2.gz NMYVJUYIJWJBIG-RBUKOAKNSA-N 1 1 297.446 3.305 20 30 CGEDMO CC[N@@H+](C[C@H]1CCCOC1)[C@H](C)c1ccc(C#N)cc1 ZINC000336822942 276139112 /nfs/dbraw/zinc/13/91/12/276139112.db2.gz NNHJJGUKJBOSKT-GDBMZVCRSA-N 1 1 272.392 3.368 20 30 CGEDMO C[C@H](NCC[N@@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000181507086 278258742 /nfs/dbraw/zinc/25/87/42/278258742.db2.gz XCPAZIYCUMANEK-GJZGRUSLSA-N 1 1 271.408 3.083 20 30 CGEDMO C[C@H](NCC[N@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000181507086 278258743 /nfs/dbraw/zinc/25/87/43/278258743.db2.gz XCPAZIYCUMANEK-GJZGRUSLSA-N 1 1 271.408 3.083 20 30 CGEDMO C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000417385672 288104477 /nfs/dbraw/zinc/10/44/77/288104477.db2.gz MEYRCDVRWLKVKH-QZCPTFHJSA-N 1 1 297.446 3.254 20 30 CGEDMO C[C@@H]1COC[C@H](c2ccccc2)[N@@H+]1CCC(C)(C)C#N ZINC000346993141 288379874 /nfs/dbraw/zinc/37/98/74/288379874.db2.gz VODZFDHRVOOHMU-GDBMZVCRSA-N 1 1 272.392 3.388 20 30 CGEDMO C[C@@H]1COC[C@H](c2ccccc2)[N@H+]1CCC(C)(C)C#N ZINC000346993141 288379875 /nfs/dbraw/zinc/37/98/75/288379875.db2.gz VODZFDHRVOOHMU-GDBMZVCRSA-N 1 1 272.392 3.388 20 30 CGEDMO CC(C)n1ccc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)n1 ZINC000554586496 289295414 /nfs/dbraw/zinc/29/54/14/289295414.db2.gz JBMNRJIFIAGETK-LBPRGKRZSA-N 1 1 286.354 3.326 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000531614480 328019413 /nfs/dbraw/zinc/01/94/13/328019413.db2.gz ILTATEVOOOUADH-WBVHZDCISA-N 1 1 259.393 3.323 20 30 CGEDMO C[C@@H](C1CC1)[N@@H+](CCOCCC#N)Cc1ccccc1 ZINC000293441047 328098309 /nfs/dbraw/zinc/09/83/09/328098309.db2.gz JYMIVZOZOXSGJN-HNNXBMFYSA-N 1 1 272.392 3.217 20 30 CGEDMO CC(C)(C#N)CCCN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000174844235 329164025 /nfs/dbraw/zinc/16/40/25/329164025.db2.gz XGHCCMKVSVRPMP-MRXNPFEDSA-N 1 1 277.456 3.267 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)N[C@H](CC)c1ccc(Cl)cc1 ZINC000181308762 329230822 /nfs/dbraw/zinc/23/08/22/329230822.db2.gz YKXYXRFEUSBWQP-OAHLLOKOSA-N 1 1 294.826 3.415 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000289592846 328255677 /nfs/dbraw/zinc/25/56/77/328255677.db2.gz XGVNHVMTZZLFAK-INIZCTEOSA-N 1 1 283.419 3.063 20 30 CGEDMO C=CCOc1ccc(CNC2(C)CC[NH2+]CC2)cc1Cl ZINC000414946634 328279334 /nfs/dbraw/zinc/27/93/34/328279334.db2.gz ULGGJSRCKDVHBY-UHFFFAOYSA-N 1 1 294.826 3.137 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000573492996 322391263 /nfs/dbraw/zinc/39/12/63/322391263.db2.gz ASIGILUCTUDNOD-UKRRQHHQSA-N 1 1 285.347 3.231 20 30 CGEDMO C=CCOCC[N@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000559248679 327150350 /nfs/dbraw/zinc/15/03/50/327150350.db2.gz YQDBDHBIYJNVLE-TXEJJXNPSA-N 1 1 265.319 3.242 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000569455742 327180258 /nfs/dbraw/zinc/18/02/58/327180258.db2.gz BNDUNHCYNZIMHB-CABCVRRESA-N 1 1 264.413 3.207 20 30 CGEDMO CC(C)COc1cccc(C[NH2+]CC2(C#N)CC2)c1 ZINC000555709792 327249498 /nfs/dbraw/zinc/24/94/98/327249498.db2.gz LWBMHXHPBXOQRL-UHFFFAOYSA-N 1 1 258.365 3.115 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000119729064 327261174 /nfs/dbraw/zinc/26/11/74/327261174.db2.gz NOLRRNRJLPHTOY-QWHCGFSZSA-N 1 1 252.427 3.286 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)CCCCC1 ZINC000560098469 327284118 /nfs/dbraw/zinc/28/41/18/327284118.db2.gz KJEVRWBGTCLSCH-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCC[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000560220399 327291041 /nfs/dbraw/zinc/29/10/41/327291041.db2.gz FPCYRPITFQYKIW-INIZCTEOSA-N 1 1 261.365 3.122 20 30 CGEDMO C=CCCCC[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000560220399 327291042 /nfs/dbraw/zinc/29/10/42/327291042.db2.gz FPCYRPITFQYKIW-INIZCTEOSA-N 1 1 261.365 3.122 20 30 CGEDMO COc1ccccc1[C@@H]1CC[N@@H+](CCC(C)(C)C#N)C1 ZINC000119936434 327295842 /nfs/dbraw/zinc/29/58/42/327295842.db2.gz BIQRLOPXPAPPAV-CQSZACIVSA-N 1 1 272.392 3.424 20 30 CGEDMO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cn2)C1 ZINC000583358511 327318333 /nfs/dbraw/zinc/31/83/33/327318333.db2.gz WIDPLZAOTKFBIN-GJZGRUSLSA-N 1 1 275.421 3.059 20 30 CGEDMO CCCCCCCCC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000377426131 329014945 /nfs/dbraw/zinc/01/49/45/329014945.db2.gz LRDUMTCGRVZUMT-JKSUJKDBSA-N 1 1 280.456 3.480 20 30 CGEDMO CCCCCCCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000378024361 329037296 /nfs/dbraw/zinc/03/72/96/329037296.db2.gz GYCLCZLXHVXJTC-OAHLLOKOSA-N 1 1 291.439 3.231 20 30 CGEDMO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(Cl)cc1 ZINC000194076072 329065540 /nfs/dbraw/zinc/06/55/40/329065540.db2.gz LSUBWJKPWIOHSN-RYUDHWBXSA-N 1 1 261.756 3.434 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H]1CN1CCCCC1 ZINC000174844235 329164023 /nfs/dbraw/zinc/16/40/23/329164023.db2.gz XGHCCMKVSVRPMP-MRXNPFEDSA-N 1 1 277.456 3.267 20 30 CGEDMO N#CCCC[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000175958434 329172909 /nfs/dbraw/zinc/17/29/09/329172909.db2.gz LLWSPLCPMANXDS-QGZVFWFLSA-N 1 1 272.392 3.014 20 30 CGEDMO COc1ccc(-c2csc(C[NH2+]CCC#N)c2)cc1 ZINC000514668441 329173046 /nfs/dbraw/zinc/17/30/46/329173046.db2.gz HJEFDXLAKAKRQF-UHFFFAOYSA-N 1 1 272.373 3.427 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(CO)cc1 ZINC000182822700 329242395 /nfs/dbraw/zinc/24/23/95/329242395.db2.gz YIQJKURYBYHCBJ-UHFFFAOYSA-N 1 1 274.408 3.331 20 30 CGEDMO CC[C@H]1CN(c2ccccc2)CC[N@H+]1CCCCC#N ZINC000184019496 329252304 /nfs/dbraw/zinc/25/23/04/329252304.db2.gz RKHMPVNWYPVNJW-INIZCTEOSA-N 1 1 271.408 3.281 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000184087664 329255952 /nfs/dbraw/zinc/25/59/52/329255952.db2.gz HETNXBKWAQVNCB-RDJZCZTQSA-N 1 1 288.391 3.026 20 30 CGEDMO CC[C@@H](CC#N)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000184095341 329256195 /nfs/dbraw/zinc/25/61/95/329256195.db2.gz SUGIAEJHDQAHEY-BHYGNILZSA-N 1 1 271.408 3.104 20 30 CGEDMO CC[C@@H](CC#N)[NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000184095341 329256196 /nfs/dbraw/zinc/25/61/96/329256196.db2.gz SUGIAEJHDQAHEY-BHYGNILZSA-N 1 1 271.408 3.104 20 30 CGEDMO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000184460079 329260373 /nfs/dbraw/zinc/26/03/73/329260373.db2.gz LXBFPZXQXHRPGN-HNNXBMFYSA-N 1 1 294.439 3.370 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CC[N@@H+](C)CC12CCCCC2 ZINC000185947585 329333082 /nfs/dbraw/zinc/33/30/82/329333082.db2.gz ALXIHRQJTOZVLO-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1cn(-c2ccccc2)nn1 ZINC000185855339 329333541 /nfs/dbraw/zinc/33/35/41/329333541.db2.gz UFHOWUHYMZFMBI-KKUMJFAQSA-N 1 1 295.390 3.000 20 30 CGEDMO C=CCOCCOc1cc(C)[nH+]c2cccc(C)c21 ZINC000418949093 329701714 /nfs/dbraw/zinc/70/17/14/329701714.db2.gz DNRBCQRGIGLORT-UHFFFAOYSA-N 1 1 257.333 3.433 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000274783187 330107464 /nfs/dbraw/zinc/10/74/64/330107464.db2.gz PRZCCTSPEOIQIC-ZDUSSCGKSA-N 1 1 281.421 3.049 20 30 CGEDMO C=CC[C@H]1[N@H+](Cc2nc([C@@H](C)OC)no2)CCCC1(C)C ZINC000277702375 330116847 /nfs/dbraw/zinc/11/68/47/330116847.db2.gz HVFJBBHUQZGKFW-CHWSQXEVSA-N 1 1 293.411 3.344 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2nc([C@@H](C)OC)no2)CCCC1(C)C ZINC000277702375 330116848 /nfs/dbraw/zinc/11/68/48/330116848.db2.gz HVFJBBHUQZGKFW-CHWSQXEVSA-N 1 1 293.411 3.344 20 30 CGEDMO C#C[C@H](CC)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379647731 330145209 /nfs/dbraw/zinc/14/52/09/330145209.db2.gz KWGAYKKUYYSTNY-CGTJXYLNSA-N 1 1 270.420 3.041 20 30 CGEDMO C#C[C@H](CC)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379647731 330145210 /nfs/dbraw/zinc/14/52/10/330145210.db2.gz KWGAYKKUYYSTNY-CGTJXYLNSA-N 1 1 270.420 3.041 20 30 CGEDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(C#N)(CC)CC ZINC000528325080 330318742 /nfs/dbraw/zinc/31/87/42/330318742.db2.gz GQQVJFZQENELRP-OAHLLOKOSA-N 1 1 293.455 3.087 20 30 CGEDMO C=CCn1cc(C[NH2+][C@@H](CC(C)C)c2cccs2)nn1 ZINC000424294345 330335729 /nfs/dbraw/zinc/33/57/29/330335729.db2.gz KREPVLROWVVPGA-AWEZNQCLSA-N 1 1 290.436 3.403 20 30 CGEDMO C=CC[N@@H+]1CCc2cc(OCC)c(OCC)cc2C1 ZINC000057622719 330377240 /nfs/dbraw/zinc/37/72/40/330377240.db2.gz YGXPWIOXEVRJNS-UHFFFAOYSA-N 1 1 261.365 3.028 20 30 CGEDMO C=CC[N@H+]1CCc2cc(OCC)c(OCC)cc2C1 ZINC000057622719 330377241 /nfs/dbraw/zinc/37/72/41/330377241.db2.gz YGXPWIOXEVRJNS-UHFFFAOYSA-N 1 1 261.365 3.028 20 30 CGEDMO CCC[C@](C)([NH2+]CCCCC(C)(C)C#N)C(=O)OC ZINC000444650096 330816560 /nfs/dbraw/zinc/81/65/60/330816560.db2.gz NHZRWLASANXEMW-HNNXBMFYSA-N 1 1 268.401 3.028 20 30 CGEDMO C[N@H+](CCCC(=O)c1ccc(F)cc1)CC(C)(C)C#N ZINC000451060779 331014140 /nfs/dbraw/zinc/01/41/40/331014140.db2.gz GSUGZLABRDGVLW-UHFFFAOYSA-N 1 1 276.355 3.270 20 30 CGEDMO C[N@@H+](CCCC(=O)c1ccc(F)cc1)CC(C)(C)C#N ZINC000451060779 331014141 /nfs/dbraw/zinc/01/41/41/331014141.db2.gz GSUGZLABRDGVLW-UHFFFAOYSA-N 1 1 276.355 3.270 20 30 CGEDMO C[C@@]12C[N@@H+](Cc3ccc(CC#N)cc3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451357491 331025629 /nfs/dbraw/zinc/02/56/29/331025629.db2.gz ALZQLRHMRWLPEM-HCXYKTFWSA-N 1 1 278.399 3.397 20 30 CGEDMO CCO[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1C ZINC000451522703 331032485 /nfs/dbraw/zinc/03/24/85/331032485.db2.gz BPBSQPREBGDWGQ-YOEHRIQHSA-N 1 1 291.822 3.438 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CCC[N@@H+]2CCC)CCCC1 ZINC000451723361 331040106 /nfs/dbraw/zinc/04/01/06/331040106.db2.gz ZJYFPDLGSSBFOS-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C[C@@H]1CCC(C)(C)[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000452014941 331050427 /nfs/dbraw/zinc/05/04/27/331050427.db2.gz UVCWFDBIEDNCMB-OAHLLOKOSA-N 1 1 299.418 3.196 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000452108020 331054687 /nfs/dbraw/zinc/05/46/87/331054687.db2.gz CQQSJAMWCXJQLC-SJORKVTESA-N 1 1 298.430 3.345 20 30 CGEDMO C=CC[C@H](C)[C@H](C)[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000453298100 331112684 /nfs/dbraw/zinc/11/26/84/331112684.db2.gz ZYXIBWXFKAFNDY-SOUVJXGZSA-N 1 1 280.456 3.201 20 30 CGEDMO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000453373914 331124414 /nfs/dbraw/zinc/12/44/14/331124414.db2.gz VYRPGYJSDXIWGG-HLTSFMKQSA-N 1 1 292.326 3.156 20 30 CGEDMO N#CCc1cccc(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)c1 ZINC000456744294 331199720 /nfs/dbraw/zinc/19/97/20/331199720.db2.gz GRFRTJWASYHBNK-QGZVFWFLSA-N 1 1 297.402 3.098 20 30 CGEDMO C=CCC1(C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)CCCC1 ZINC000457090235 331212094 /nfs/dbraw/zinc/21/20/94/331212094.db2.gz LVUPUDZZFDJYNS-OAHLLOKOSA-N 1 1 278.440 3.064 20 30 CGEDMO CC#CCC[N@@H+]1CCC[C@H](Cc2ccc(OC)cc2)C1 ZINC000462308875 331318968 /nfs/dbraw/zinc/31/89/68/331318968.db2.gz AZTIIERNBJSQGF-QGZVFWFLSA-N 1 1 271.404 3.363 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463447762 331347972 /nfs/dbraw/zinc/34/79/72/331347972.db2.gz FNWABLRKVMUQMH-XQQFMLRXSA-N 1 1 279.346 3.366 20 30 CGEDMO Clc1ccc(C#CC[N@H+]2CCC[C@H]3COCC[C@H]32)cc1 ZINC000464849835 331371053 /nfs/dbraw/zinc/37/10/53/331371053.db2.gz JEDXENQNJQVAFG-DOTOQJQBSA-N 1 1 289.806 3.192 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000488469318 332012189 /nfs/dbraw/zinc/01/21/89/332012189.db2.gz ZDEHIDNLZNKQOH-QGZVFWFLSA-N 1 1 264.457 3.397 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1nc2ccccc2n1C ZINC000489394817 332049936 /nfs/dbraw/zinc/04/99/36/332049936.db2.gz DOARFFBKHARREZ-ZDUSSCGKSA-N 1 1 255.365 3.114 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nc2ccccc2n1C ZINC000489394817 332049938 /nfs/dbraw/zinc/04/99/38/332049938.db2.gz DOARFFBKHARREZ-ZDUSSCGKSA-N 1 1 255.365 3.114 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000489422333 332051165 /nfs/dbraw/zinc/05/11/65/332051165.db2.gz DRUCTDBZMVRBDW-HKUYNNGSSA-N 1 1 298.430 3.294 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000489422333 332051167 /nfs/dbraw/zinc/05/11/67/332051167.db2.gz DRUCTDBZMVRBDW-HKUYNNGSSA-N 1 1 298.430 3.294 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N(CC)Cc1ccccc1 ZINC000489446862 332053248 /nfs/dbraw/zinc/05/32/48/332053248.db2.gz OXKBUJRRTNRCND-QGZVFWFLSA-N 1 1 286.419 3.076 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CCc1ccc2c(c1)CCO2 ZINC000489474965 332054879 /nfs/dbraw/zinc/05/48/79/332054879.db2.gz LKUROSNCZITAMC-INIZCTEOSA-N 1 1 257.377 3.205 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)N1c2ccccc2C[C@@H]1C ZINC000489481333 332055423 /nfs/dbraw/zinc/05/54/23/332055423.db2.gz TVRRMFZKQMOIQP-GOEBONIOSA-N 1 1 284.403 3.005 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N1c2ccccc2C[C@@H]1C ZINC000489481333 332055424 /nfs/dbraw/zinc/05/54/24/332055424.db2.gz TVRRMFZKQMOIQP-GOEBONIOSA-N 1 1 284.403 3.005 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)c1c[nH]c2ccccc12 ZINC000489517370 332057871 /nfs/dbraw/zinc/05/78/71/332057871.db2.gz USNPNAUYMOUOEK-ZDUSSCGKSA-N 1 1 268.360 3.391 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)c1c[nH]c2ccccc12 ZINC000489517370 332057872 /nfs/dbraw/zinc/05/78/72/332057872.db2.gz USNPNAUYMOUOEK-ZDUSSCGKSA-N 1 1 268.360 3.391 20 30 CGEDMO C#CC[N@H+](Cc1cnc2c(c1)c(C)nn2C)C1CCCCC1 ZINC000490899668 332127426 /nfs/dbraw/zinc/12/74/26/332127426.db2.gz POPBKSPBXISBHS-UHFFFAOYSA-N 1 1 296.418 3.045 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1cc(Cl)nc(Cl)c1 ZINC000491164758 332159335 /nfs/dbraw/zinc/15/93/35/332159335.db2.gz FLJJUTPQMSOBBQ-UHFFFAOYSA-N 1 1 257.164 3.232 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)CCCc1nc(-c2cccs2)no1 ZINC000491210744 332167250 /nfs/dbraw/zinc/16/72/50/332167250.db2.gz YEFJYOAGZYBPCG-UHFFFAOYSA-N 1 1 289.404 3.074 20 30 CGEDMO C#CC[N@@H+](Cc1cccc(C(=O)C(F)(F)F)c1)C1CC1 ZINC000491641146 332260748 /nfs/dbraw/zinc/26/07/48/332260748.db2.gz ZJMPCMZHNIVNAO-UHFFFAOYSA-N 1 1 281.277 3.029 20 30 CGEDMO C#CC[N@H+](Cc1cccc(C(=O)C(F)(F)F)c1)C1CC1 ZINC000491641146 332260750 /nfs/dbraw/zinc/26/07/50/332260750.db2.gz ZJMPCMZHNIVNAO-UHFFFAOYSA-N 1 1 281.277 3.029 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)CCC2(C#N)CCCCC2)n1 ZINC000491678767 332283158 /nfs/dbraw/zinc/28/31/58/332283158.db2.gz CIRGYCIUXJAOJV-UHFFFAOYSA-N 1 1 298.434 3.202 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)CCC2(C#N)CCCCC2)n1 ZINC000491678767 332283159 /nfs/dbraw/zinc/28/31/59/332283159.db2.gz CIRGYCIUXJAOJV-UHFFFAOYSA-N 1 1 298.434 3.202 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000552169119 334298162 /nfs/dbraw/zinc/29/81/62/334298162.db2.gz DOULKYWCMWUHCF-HNNXBMFYSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCCCC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000517506450 333100831 /nfs/dbraw/zinc/10/08/31/333100831.db2.gz NLPLKZBZPJYVKF-OAGGEKHMSA-N 1 1 251.414 3.358 20 30 CGEDMO C[C@H](C#N)C[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000183841216 333122866 /nfs/dbraw/zinc/12/28/66/333122866.db2.gz KLLRQPFRBAYBMQ-SECBINFHSA-N 1 1 290.260 3.016 20 30 CGEDMO C=CC[N@@H+](C)Cc1c2ccccc2sc1C(=O)OC ZINC000189089424 333180500 /nfs/dbraw/zinc/18/05/00/333180500.db2.gz PAUKJGBVJAQAHR-UHFFFAOYSA-N 1 1 275.373 3.306 20 30 CGEDMO C=CC[N@H+](C)Cc1c2ccccc2sc1C(=O)OC ZINC000189089424 333180501 /nfs/dbraw/zinc/18/05/01/333180501.db2.gz PAUKJGBVJAQAHR-UHFFFAOYSA-N 1 1 275.373 3.306 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000190611309 333209067 /nfs/dbraw/zinc/20/90/67/333209067.db2.gz SXZBHPVQPSSQBG-DOTOQJQBSA-N 1 1 280.456 3.217 20 30 CGEDMO C(#Cc1ccccc1)C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000192042411 333228792 /nfs/dbraw/zinc/22/87/92/333228792.db2.gz YXGVYDGMOOXYGS-IBGZPJMESA-N 1 1 283.415 3.462 20 30 CGEDMO COc1cccc(C[C@H]2CCC[N@H+]2CCCCC#N)c1 ZINC000522861945 333297329 /nfs/dbraw/zinc/29/73/29/333297329.db2.gz SFLINGVMINXIQB-MRXNPFEDSA-N 1 1 272.392 3.396 20 30 CGEDMO C=CC[N@@H+](CCc1ccccn1)Cc1ccccc1 ZINC000075655541 334048166 /nfs/dbraw/zinc/04/81/66/334048166.db2.gz JQQWVPUIUWNWPT-UHFFFAOYSA-N 1 1 252.361 3.312 20 30 CGEDMO C=CC[NH+](CC=C)Cc1ccccc1OC(F)F ZINC000076176383 334075658 /nfs/dbraw/zinc/07/56/58/334075658.db2.gz RNAPYLZHEDCZED-UHFFFAOYSA-N 1 1 253.292 3.462 20 30 CGEDMO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCCCC2)c1C ZINC000076407334 334080691 /nfs/dbraw/zinc/08/06/91/334080691.db2.gz CWCIQVARNBRDKU-UHFFFAOYSA-N 1 1 299.418 3.036 20 30 CGEDMO C[N@@H+](CC#Cc1cccc(Cl)c1)[C@H](CO)C(C)(C)C ZINC000134445646 334090684 /nfs/dbraw/zinc/09/06/84/334090684.db2.gz WPTUUNXOALJGAK-OAHLLOKOSA-N 1 1 279.811 3.030 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000135127315 334116826 /nfs/dbraw/zinc/11/68/26/334116826.db2.gz JMEXQYNWCWBRNG-OAHLLOKOSA-N 1 1 298.430 3.489 20 30 CGEDMO CC[C@@]1(C)C[N@@H+](Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000135626626 334134718 /nfs/dbraw/zinc/13/47/18/334134718.db2.gz BVUBDNBQZUQXGS-SFHVURJKSA-N 1 1 286.419 3.489 20 30 CGEDMO C=CCNC(=O)[C@@H](C)[N@H+](CC)C[C@H](CC)c1ccccc1 ZINC000249481831 334334534 /nfs/dbraw/zinc/33/45/34/334334534.db2.gz XBNUKKOZEINMTB-CVEARBPZSA-N 1 1 288.435 3.193 20 30 CGEDMO CC[C@@H](CSC)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000343715408 335217371 /nfs/dbraw/zinc/21/73/71/335217371.db2.gz AAOYKRXRNDXJIH-HNNXBMFYSA-N 1 1 262.422 3.326 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)cc1 ZINC000576870061 335258153 /nfs/dbraw/zinc/25/81/53/335258153.db2.gz KMOMQQXLNBVVPL-SJLPKXTDSA-N 1 1 287.378 3.068 20 30 CGEDMO C=C(C)[C@H]1OCC[C@@H]1CNc1[nH+]ccc2cc(F)ccc21 ZINC000576938314 335266233 /nfs/dbraw/zinc/26/62/33/335266233.db2.gz AHWVPKDLEFWJKD-CZUORRHYSA-N 1 1 286.350 3.189 20 30 CGEDMO C=CCCCC[N@@H+]1C[C@H](CC)N(C(C)=O)C[C@@H]1CC ZINC000577340325 335340348 /nfs/dbraw/zinc/34/03/48/335340348.db2.gz YPSVWHUWRYGLEV-HOTGVXAUSA-N 1 1 266.429 3.064 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cccc(Br)c1 ZINC000195000001 336042522 /nfs/dbraw/zinc/04/25/22/336042522.db2.gz VIMCOXHWQLCGPF-UHFFFAOYSA-N 1 1 284.197 3.084 20 30 CGEDMO C[C@H](O)C[N@H+](Cc1ccccc1)Cc1cc(C#N)ccc1F ZINC000581579528 336105492 /nfs/dbraw/zinc/10/54/92/336105492.db2.gz CULOXDGMGFSQPE-AWEZNQCLSA-N 1 1 298.361 3.080 20 30 CGEDMO C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(C#N)ccc1F ZINC000581579528 336105493 /nfs/dbraw/zinc/10/54/93/336105493.db2.gz CULOXDGMGFSQPE-AWEZNQCLSA-N 1 1 298.361 3.080 20 30 CGEDMO C=CCOCC[N@H+](C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000294668409 500578931 /nfs/dbraw/zinc/57/89/31/500578931.db2.gz RSMJLPHUKHMNEP-IRXDYDNUSA-N 1 1 293.382 3.180 20 30 CGEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2cnccc2C#N)C1 ZINC000359485870 534109637 /nfs/dbraw/zinc/10/96/37/534109637.db2.gz HSHLLEGIIHRDQM-YOEHRIQHSA-N 1 1 292.386 3.201 20 30 CGEDMO C[C@@H]1CC[C@@]2(CC[N@@H+](CCOc3ccccc3C#N)C2)C1 ZINC000359553101 534205121 /nfs/dbraw/zinc/20/51/21/534205121.db2.gz HEJMWRSCMLUAAO-CRAIPNDOSA-N 1 1 284.403 3.449 20 30 CGEDMO C=CC[N@@H+](CCOc1cccc(C#N)c1)CCc1ccco1 ZINC000352721738 526307941 /nfs/dbraw/zinc/30/79/41/526307941.db2.gz WVZZDSQAELEYNV-UHFFFAOYSA-N 1 1 296.370 3.261 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1cccc(C#N)c1 ZINC000352700625 526327790 /nfs/dbraw/zinc/32/77/90/526327790.db2.gz UHBQMHSZUVEYHK-UHFFFAOYSA-N 1 1 266.344 3.382 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@@H](CO)c2ccccc2)c(Cl)c1 ZINC000162709614 526625234 /nfs/dbraw/zinc/62/52/34/526625234.db2.gz NBOUIHBYXMBDGZ-INIZCTEOSA-N 1 1 286.762 3.035 20 30 CGEDMO N#Cc1ccc(CNc2cc[nH+]cc2Br)s1 ZINC000309386196 526629718 /nfs/dbraw/zinc/62/97/18/526629718.db2.gz ASAAYSUAXQHXCI-UHFFFAOYSA-N 1 1 294.177 3.389 20 30 CGEDMO C=CCOCCC[N@H+](C)Cc1nc2ccccc2s1 ZINC000347957960 526747527 /nfs/dbraw/zinc/74/75/27/526747527.db2.gz AZXISHCLPOWRQG-UHFFFAOYSA-N 1 1 276.405 3.321 20 30 CGEDMO C=CCOCCC[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000347971806 526754121 /nfs/dbraw/zinc/75/41/21/526754121.db2.gz YRTPQNBENBFLJD-AWEZNQCLSA-N 1 1 280.437 3.224 20 30 CGEDMO C=CCOCCC[N@@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000347969433 526758525 /nfs/dbraw/zinc/75/85/25/526758525.db2.gz LTGHFURGIVOZJG-DOTOQJQBSA-N 1 1 275.392 3.041 20 30 CGEDMO C=C(C[NH2+]Cc1c(F)ccc(O)c1F)c1ccccc1 ZINC000352261028 526881583 /nfs/dbraw/zinc/88/15/83/526881583.db2.gz IMIYXENDYWZKRH-UHFFFAOYSA-N 1 1 275.298 3.473 20 30 CGEDMO C=CC1CC[NH+](Cc2c(F)ccc(O)c2F)CC1 ZINC000351583333 526980215 /nfs/dbraw/zinc/98/02/15/526980215.db2.gz OPXKRRVAMIITGF-UHFFFAOYSA-N 1 1 253.292 3.068 20 30 CGEDMO C=CCN(C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)C1CC1 ZINC000347899193 527546765 /nfs/dbraw/zinc/54/67/65/527546765.db2.gz IEYRHGZWOQSUNL-HNNXBMFYSA-N 1 1 292.810 3.120 20 30 CGEDMO CC(C)CC[C@H](O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425540514 527850348 /nfs/dbraw/zinc/85/03/48/527850348.db2.gz VOOKSILSJGCVPH-YOEHRIQHSA-N 1 1 274.408 3.348 20 30 CGEDMO CCC[N@@H+](CC(C)C)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000411202981 527929395 /nfs/dbraw/zinc/92/93/95/527929395.db2.gz POWQWBMMAQNDEG-MRXNPFEDSA-N 1 1 288.391 3.140 20 30 CGEDMO CCOC1CC2(C1)CC[N@@H+](Cc1ccc(C#N)c(F)c1)C2 ZINC000367598085 528532247 /nfs/dbraw/zinc/53/22/47/528532247.db2.gz UXWKZRWMZFXZNR-UHFFFAOYSA-N 1 1 288.366 3.088 20 30 CGEDMO CCOCCC[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000159316709 528658245 /nfs/dbraw/zinc/65/82/45/528658245.db2.gz GXMAYLNNAPWSAW-AWEZNQCLSA-N 1 1 260.381 3.368 20 30 CGEDMO CCC(CC)C[N@@H+](CC)Cc1nc(C#N)cs1 ZINC000356050661 528742992 /nfs/dbraw/zinc/74/29/92/528742992.db2.gz GESNXGQHRWGCNE-UHFFFAOYSA-N 1 1 251.399 3.273 20 30 CGEDMO CC[N@@H+]1CCCC[C@H]1CN[C@H](C)c1ccc(C#N)cc1F ZINC000358570662 529015420 /nfs/dbraw/zinc/01/54/20/529015420.db2.gz NOBSFAZPBQDPIY-HIFRSBDPSA-N 1 1 289.398 3.222 20 30 CGEDMO CC[N@H+]1CCCC[C@H]1CN[C@H](C)c1ccc(C#N)cc1F ZINC000358570662 529015426 /nfs/dbraw/zinc/01/54/26/529015426.db2.gz NOBSFAZPBQDPIY-HIFRSBDPSA-N 1 1 289.398 3.222 20 30 CGEDMO CC[N@H+]1CCC[C@@H](CNc2nc(C)c(C#N)cc2Cl)C1 ZINC000359906747 529050489 /nfs/dbraw/zinc/05/04/89/529050489.db2.gz FQXCUNDROZCCHV-LBPRGKRZSA-N 1 1 292.814 3.059 20 30 CGEDMO CCn1ccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)n1 ZINC000414203221 529173414 /nfs/dbraw/zinc/17/34/14/529173414.db2.gz DRHRYJNUYWZNDE-GOSISDBHSA-N 1 1 294.402 3.332 20 30 CGEDMO CC[C@@H](CSC)[N@@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000516604563 535767083 /nfs/dbraw/zinc/76/70/83/535767083.db2.gz YBBCCPZLDJSNQL-HNNXBMFYSA-N 1 1 262.422 3.440 20 30 CGEDMO CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000315997150 535820040 /nfs/dbraw/zinc/82/00/40/535820040.db2.gz QJJYSXIHYITWEO-OAHLLOKOSA-N 1 1 299.418 3.399 20 30 CGEDMO CC[C@@]1(C)C[N@@H+]([C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000190066799 536058577 /nfs/dbraw/zinc/05/85/77/536058577.db2.gz IZDWTMLGWCZLBJ-BBRMVZONSA-N 1 1 258.365 3.120 20 30 CGEDMO CC[C@@]1(C)C[N@H+]([C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000190066799 536058582 /nfs/dbraw/zinc/05/85/82/536058582.db2.gz IZDWTMLGWCZLBJ-BBRMVZONSA-N 1 1 258.365 3.120 20 30 CGEDMO C[N@@H+](CCOc1cccc(C#N)c1)C[C@@H]1CC=CCC1 ZINC000513472371 536400731 /nfs/dbraw/zinc/40/07/31/536400731.db2.gz DFPBXIQOOLTORK-OAHLLOKOSA-N 1 1 270.376 3.225 20 30 CGEDMO C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@H]1CC=CCC1 ZINC000459413759 536452713 /nfs/dbraw/zinc/45/27/13/536452713.db2.gz RBEUVMLSGUJTNH-ZDUSSCGKSA-N 1 1 285.347 3.255 20 30 CGEDMO C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@H]1CC=CCC1 ZINC000459413759 536452718 /nfs/dbraw/zinc/45/27/18/536452718.db2.gz RBEUVMLSGUJTNH-ZDUSSCGKSA-N 1 1 285.347 3.255 20 30 CGEDMO COC(=O)c1ccc([C@@H](C)[N@H+](C)Cc2cccc(C#N)c2)o1 ZINC000125236569 536804656 /nfs/dbraw/zinc/80/46/56/536804656.db2.gz ZJKQGWDVDDVSEP-GFCCVEGCSA-N 1 1 298.342 3.131 20 30 CGEDMO COC(=O)c1ccc([C@@H](C)[N@@H+](C)Cc2cccc(C#N)c2)o1 ZINC000125236569 536804664 /nfs/dbraw/zinc/80/46/64/536804664.db2.gz ZJKQGWDVDDVSEP-GFCCVEGCSA-N 1 1 298.342 3.131 20 30 CGEDMO Cc1[nH+]c(C=NNCCCc2ccccc2)c2ccccn12 ZINC000729146327 571878732 /nfs/dbraw/zinc/87/87/32/571878732.db2.gz SHUNAEXZPKRUBP-UHFFFAOYSA-N 1 1 292.386 3.199 20 30 CGEDMO C[C@@H]1C[C@H](C)[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000740859860 571886343 /nfs/dbraw/zinc/88/63/43/571886343.db2.gz NQDKONKUUYTIEM-KGLIPLIRSA-N 1 1 280.375 3.110 20 30 CGEDMO C=CC[N@H+](Cn1nc(C)c(Br)c1C)C(C)C ZINC000731659492 572421061 /nfs/dbraw/zinc/42/10/61/572421061.db2.gz GFCMYUCTLOOZEG-UHFFFAOYSA-N 1 1 286.217 3.116 20 30 CGEDMO C=CC[N@@H+](Cn1nc(C)c(Br)c1C)C(C)C ZINC000731659492 572421065 /nfs/dbraw/zinc/42/10/65/572421065.db2.gz GFCMYUCTLOOZEG-UHFFFAOYSA-N 1 1 286.217 3.116 20 30 CGEDMO CC(C)CCC(N)=[NH+]OCCCOc1ccc(C#N)cc1 ZINC000732193999 572451932 /nfs/dbraw/zinc/45/19/32/572451932.db2.gz PFGNZIADIHMBFR-UHFFFAOYSA-N 1 1 289.379 3.262 20 30 CGEDMO C=C(C)COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000741355651 572494168 /nfs/dbraw/zinc/49/41/68/572494168.db2.gz VJDTWFXBMVWLFN-INIZCTEOSA-N 1 1 273.376 3.160 20 30 CGEDMO C=C(C)COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000741355651 572494172 /nfs/dbraw/zinc/49/41/72/572494172.db2.gz VJDTWFXBMVWLFN-INIZCTEOSA-N 1 1 273.376 3.160 20 30 CGEDMO CC[N@H+]1CCC(N=Nc2nccc3sccc32)[C@@H](C)C1 ZINC000741461150 572499558 /nfs/dbraw/zinc/49/95/58/572499558.db2.gz FTJWHWBOVJYZPC-NSHDSACASA-N 1 1 288.420 3.426 20 30 CGEDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000744443223 572754133 /nfs/dbraw/zinc/75/41/33/572754133.db2.gz IJQDBRFQDXDFIQ-WMLDXEAASA-N 1 1 294.402 3.500 20 30 CGEDMO Cc1cccc2c1CC[N@@H+](CCCSCC#N)C2 ZINC000745942265 572841117 /nfs/dbraw/zinc/84/11/17/572841117.db2.gz GCENZHGQPKSDHR-UHFFFAOYSA-N 1 1 260.406 3.000 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)c(OC)c1OC)C(C)C ZINC000746147613 572857318 /nfs/dbraw/zinc/85/73/18/572857318.db2.gz MRUKLPCFQMFHKK-UHFFFAOYSA-N 1 1 279.380 3.109 20 30 CGEDMO C[N@H+](CCCC(C)(C)C#N)Cc1nc2ccccc2c(=O)[nH]1 ZINC000746655739 572888347 /nfs/dbraw/zinc/88/83/47/572888347.db2.gz YITBCXOBGLLLDN-UHFFFAOYSA-N 1 1 298.390 3.097 20 30 CGEDMO C[N@@H+](CCCC(C)(C)C#N)Cc1nc2ccccc2c(=O)[nH]1 ZINC000746655739 572888349 /nfs/dbraw/zinc/88/83/49/572888349.db2.gz YITBCXOBGLLLDN-UHFFFAOYSA-N 1 1 298.390 3.097 20 30 CGEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)CN=Nc1ncccn1 ZINC000747630324 572937497 /nfs/dbraw/zinc/93/74/97/572937497.db2.gz UAACIVRGZXTEEG-UHFFFAOYSA-N 1 1 297.406 3.033 20 30 CGEDMO CCCCCCCCCC(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000748346914 572974467 /nfs/dbraw/zinc/97/44/67/572974467.db2.gz SNTBAOXCDLDJDK-OAHLLOKOSA-N 1 1 268.445 3.290 20 30 CGEDMO CCCCCCCCCC(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000748346914 572974470 /nfs/dbraw/zinc/97/44/70/572974470.db2.gz SNTBAOXCDLDJDK-OAHLLOKOSA-N 1 1 268.445 3.290 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OC)c(C#N)c1)C1CCCCC1 ZINC000749514897 573015113 /nfs/dbraw/zinc/01/51/13/573015113.db2.gz NIXWEDDVOPKDCS-UHFFFAOYSA-N 1 1 282.387 3.335 20 30 CGEDMO CC[C@@H](C)C[N@@H+](C)Cc1cc(C#N)cnc1Cl ZINC000876611135 634867945 /nfs/dbraw/zinc/86/79/45/634867945.db2.gz RQKZLZBXFZQJFO-SNVBAGLBSA-N 1 1 251.761 3.085 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cc(-c2nn[nH]n2)cs1 ZINC000823894791 608707907 /nfs/dbraw/zinc/70/79/07/608707907.db2.gz XFMYWBJRAYUHSV-UHFFFAOYSA-N 1 1 291.424 3.106 20 30 CGEDMO C#Cc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](CCC)CC2)cc1 ZINC000948665465 613165965 /nfs/dbraw/zinc/16/59/65/613165965.db2.gz KTIWZMZQERHFGD-GOSISDBHSA-N 1 1 298.430 3.004 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H]2CCCC[C@@H]2C)CC1 ZINC000981844622 613254055 /nfs/dbraw/zinc/25/40/55/613254055.db2.gz FQPLRDZWUJTEQU-IRXDYDNUSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)[C@H]2CCC[C@H](F)C2)CC1 ZINC000981143075 613254444 /nfs/dbraw/zinc/25/44/44/613254444.db2.gz AAVSETGSXXEICS-HOTGVXAUSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)C2CCCC2)CC1 ZINC000948137141 613256582 /nfs/dbraw/zinc/25/65/82/613256582.db2.gz WSGSTQFKBDLNDH-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC23CC3)CC1 ZINC000948808809 613256588 /nfs/dbraw/zinc/25/65/88/613256588.db2.gz JQWNOSVZCFQCBK-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CC2CCC2)C[C@@H]1C ZINC000947165387 613266326 /nfs/dbraw/zinc/26/63/26/613266326.db2.gz FSFRQLREUBGCIP-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2cccs2)[C@@H](C)C1 ZINC000941773642 613267435 /nfs/dbraw/zinc/26/74/35/613267435.db2.gz WUXUXSUADIZYIF-UONOGXRCSA-N 1 1 292.448 3.155 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cccs2)C[C@@H]1C ZINC000947013187 613267492 /nfs/dbraw/zinc/26/74/92/613267492.db2.gz KUYWYQLFUVLARI-UONOGXRCSA-N 1 1 292.448 3.297 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C2CC2)C[C@H]1C ZINC000947632638 613270413 /nfs/dbraw/zinc/27/04/13/613270413.db2.gz DFRAKZHPKOJSFZ-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2(F)CCCC2)C[C@H]1C ZINC000947468276 613270655 /nfs/dbraw/zinc/27/06/55/613270655.db2.gz IHHODABTIALBGY-CABCVRRESA-N 1 1 296.430 3.204 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccccc2)[C@H](C)C1 ZINC000941759731 613271603 /nfs/dbraw/zinc/27/16/03/613271603.db2.gz DUQOMKVTLHVXSG-WBVHZDCISA-N 1 1 286.419 3.093 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cc(C)co2)C[C@H]1C ZINC000947629995 613271691 /nfs/dbraw/zinc/27/16/91/613271691.db2.gz SIVSEULDGDMXBD-CABCVRRESA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)C)C[C@@]2(C)C1 ZINC000982751765 613275995 /nfs/dbraw/zinc/27/59/95/613275995.db2.gz BITNXCYYHQJAHF-HDICACEKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@H]2CCC2(C)C)C(C)(C)C1 ZINC000974942007 613277431 /nfs/dbraw/zinc/27/74/31/613277431.db2.gz CWWBMZRUYNFYLK-CABCVRRESA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)CC2(C)CCCCC2)C1 ZINC000971915354 613283162 /nfs/dbraw/zinc/28/31/62/613283162.db2.gz VQASNMXDPXNMMS-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)C23CCC(CC2)CC3)C1 ZINC000980456945 613283181 /nfs/dbraw/zinc/28/31/81/613283181.db2.gz MYBBSDVMGOAZQP-UPTPFMHGSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC000980559631 613283244 /nfs/dbraw/zinc/28/32/44/613283244.db2.gz YBVGZSYXQHDBEL-CQSZACIVSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCCC2(C)C)C1 ZINC000980512148 613290386 /nfs/dbraw/zinc/29/03/86/613290386.db2.gz WEORTSYDCMNGAC-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2cccc(Cl)c2)C1 ZINC000972784943 613291747 /nfs/dbraw/zinc/29/17/47/613291747.db2.gz DIIXYCPBZXCNHU-HNNXBMFYSA-N 1 1 292.810 3.062 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@]2(CC)C(C)C)CC1 ZINC000983389437 613310147 /nfs/dbraw/zinc/31/01/47/613310147.db2.gz JZPUNTRZFSGCAV-FUHWJXTLSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@H](C)C1 ZINC000944225914 613328390 /nfs/dbraw/zinc/32/83/90/613328390.db2.gz FQZXHDJCOFZQLQ-QBPKDAKJSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccsc2C)C[C@H]1C ZINC000947280851 613330625 /nfs/dbraw/zinc/33/06/25/613330625.db2.gz HYBNCTPQYAYFGJ-TZMCWYRMSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cccc(C)c2)C(C)(C)C1 ZINC000972765359 613338428 /nfs/dbraw/zinc/33/84/28/613338428.db2.gz IZBPCPINXNJTQC-MRXNPFEDSA-N 1 1 286.419 3.011 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC(C[N@H+](CC)C(C)C)CC2)C1 ZINC000957751500 613393203 /nfs/dbraw/zinc/39/32/03/613393203.db2.gz WYIQAFPLLWNQNM-UHFFFAOYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](CCC3CC3)[C@@H](C)C2)C1 ZINC000947701492 613397706 /nfs/dbraw/zinc/39/77/06/613397706.db2.gz CJMTYABAGUVUEM-GOEBONIOSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](CCCC)CC2(C)C)C1 ZINC000941017526 613397824 /nfs/dbraw/zinc/39/78/24/613397824.db2.gz ORDVXXWBUGUIDQ-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CCCC)CC2(C)C)C1 ZINC000941017516 613401180 /nfs/dbraw/zinc/40/11/80/613401180.db2.gz ORDVXXWBUGUIDQ-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[N@H+](C[C@@H](C)CC)CC2)CC1 ZINC000981874055 613405146 /nfs/dbraw/zinc/40/51/46/613405146.db2.gz WOIFWZDZJVFXRO-HNNXBMFYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2C[N@H+](CC(C)C)CC2(C)C)CC1 ZINC000975013715 613410883 /nfs/dbraw/zinc/41/08/83/613410883.db2.gz UWAGOYDRKHCHON-MRXNPFEDSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)C2CCCCCC2)C1 ZINC000949769716 613476883 /nfs/dbraw/zinc/47/68/83/613476883.db2.gz HENCDAHJZRWOIC-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCCCC2(C)C)C1 ZINC000957436327 613478578 /nfs/dbraw/zinc/47/85/78/613478578.db2.gz VMZMKEAGDHVTKN-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)C1CCCC1 ZINC000968729348 613490015 /nfs/dbraw/zinc/49/00/15/613490015.db2.gz CNIPNJRDHJODNS-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)C1=CCCC1 ZINC000968809638 613491239 /nfs/dbraw/zinc/49/12/39/613491239.db2.gz PDMCZLWMVQFVKH-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCC[N@H+]1CCCN(C(=O)[C@H]2CCCC3(CC3)C2)CC1 ZINC000981159563 613495035 /nfs/dbraw/zinc/49/50/35/613495035.db2.gz FOTUMKGCZHOTCI-INIZCTEOSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC(C)C)C1 ZINC000963245163 613501452 /nfs/dbraw/zinc/50/14/52/613501452.db2.gz SPKNISCYDBMSMM-SJORKVTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC(=C)C)C[C@@H]2C)cc1 ZINC000942892190 613514583 /nfs/dbraw/zinc/51/45/83/613514583.db2.gz DOSKZUHDZSLZIR-MAUKXSAKSA-N 1 1 298.430 3.346 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000961271315 613528538 /nfs/dbraw/zinc/52/85/38/613528538.db2.gz KOBSCBFNKJMJBJ-JKSUJKDBSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)C2(F)CCCCC2)[C@@H](C)C1 ZINC000943987087 613533886 /nfs/dbraw/zinc/53/38/86/613533886.db2.gz JHVKDBREZDICKJ-GJZGRUSLSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)C(C)C)C[C@@]2(C)C1 ZINC000982611189 613551771 /nfs/dbraw/zinc/55/17/71/613551771.db2.gz PWECKEOUESXKKP-NXHRZFHOSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)C2CCCCC2)C1 ZINC000972536310 613628209 /nfs/dbraw/zinc/62/82/09/613628209.db2.gz KJVSEDBFIPUVKB-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)c3ccc(C)cc3C)C2)C1 ZINC000982136755 613681494 /nfs/dbraw/zinc/68/14/94/613681494.db2.gz XWHWFUNHLNBQEP-UHFFFAOYSA-N 1 1 298.430 3.027 20 30 CGEDMO C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)C1=CCCCCC1 ZINC000968832004 613683425 /nfs/dbraw/zinc/68/34/25/613683425.db2.gz TWJGVLDQZUKHBK-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC000969037056 613684198 /nfs/dbraw/zinc/68/41/98/613684198.db2.gz ADSAAUUVKRTDBX-BRWVUGGUSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2(CC)CC2)C1 ZINC000963358054 613703792 /nfs/dbraw/zinc/70/37/92/613703792.db2.gz COXFJZXBVLZIBT-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)CC2CCCC2)CC1 ZINC000948162027 613704156 /nfs/dbraw/zinc/70/41/56/613704156.db2.gz IYHSGWUTJVOKAE-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)CC2=CCCCC2)C(C)(C)C1 ZINC000940632548 613742086 /nfs/dbraw/zinc/74/20/86/613742086.db2.gz KRSGWOWRFSYIKB-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Cl)s2)C[C@@H]1C ZINC000947997985 613752538 /nfs/dbraw/zinc/75/25/38/613752538.db2.gz HFXCZLXITWJCKK-WDEREUQCSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C3CC3)cc2)[C@H](C)C1 ZINC000945064631 613752707 /nfs/dbraw/zinc/75/27/07/613752707.db2.gz YPYZAECXVPETGP-RDTXWAMCSA-N 1 1 298.430 3.190 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccoc2C(C)C)[C@@H](C)C1 ZINC000945332701 613756679 /nfs/dbraw/zinc/75/66/79/613756679.db2.gz FVMRBIMTBANUES-DZGCQCFKSA-N 1 1 290.407 3.029 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC000968695612 613771532 /nfs/dbraw/zinc/77/15/32/613771532.db2.gz SDYUFQDMQOTVBK-UONOGXRCSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C2CCCC2)C[C@H]1C ZINC000947400162 613778929 /nfs/dbraw/zinc/77/89/29/613778929.db2.gz RPRWIYVMKSNCNO-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)CC2CCCCC2)C[C@H]1C ZINC000947027809 613780657 /nfs/dbraw/zinc/78/06/57/613780657.db2.gz VAYRZQQKHNZCBN-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C[C@@H]1C ZINC000947953415 613784324 /nfs/dbraw/zinc/78/43/24/613784324.db2.gz NWHNQRWDELQBRR-QAETUUGQSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)c2ccc(Cl)s2)[C@@H](C)C1 ZINC000944653099 613790739 /nfs/dbraw/zinc/79/07/39/613790739.db2.gz KQTZAMUUEXKPNB-QWRGUYRKSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2csc(C)c2C)C[C@H]1C ZINC000947343040 613799131 /nfs/dbraw/zinc/79/91/31/613799131.db2.gz NKCTXSOMXIKKID-RISCZKNCSA-N 1 1 292.448 3.134 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2csc(C)c2C)C[C@@H]1C ZINC000947343039 613799156 /nfs/dbraw/zinc/79/91/56/613799156.db2.gz NKCTXSOMXIKKID-FZMZJTMJSA-N 1 1 292.448 3.134 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2ccoc2C(C)C)C(C)(C)C1 ZINC000977649008 613829318 /nfs/dbraw/zinc/82/93/18/613829318.db2.gz KNNBDRCILUAHPN-AWEZNQCLSA-N 1 1 290.407 3.029 20 30 CGEDMO C=C(C)CN[NH+]=C(C)c1cc(Cl)c(N)c(Cl)c1 ZINC000811652338 617665446 /nfs/dbraw/zinc/66/54/46/617665446.db2.gz IIYCDVCPWLAVGQ-UHFFFAOYSA-N 1 1 272.179 3.465 20 30 CGEDMO C#CC[N@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)C(C)(C)C ZINC000932462395 617763908 /nfs/dbraw/zinc/76/39/08/617763908.db2.gz XYTYKXSCACUJKL-IBGZPJMESA-N 1 1 296.414 3.161 20 30 CGEDMO C#CC[C@@H](Cc1ccccc1)Nc1cc(CC)[nH+]c(C)n1 ZINC000804810172 617849688 /nfs/dbraw/zinc/84/96/88/617849688.db2.gz QSMTZCQEHODQRJ-KRWDZBQOSA-N 1 1 279.387 3.394 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CCCCC2)C1 ZINC001021504863 618015394 /nfs/dbraw/zinc/01/53/94/618015394.db2.gz GCMJURDDHQGUGQ-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(Br)C[N@@H+](C)[C@H](C)Cc1ccccc1OC ZINC000075896450 618103278 /nfs/dbraw/zinc/10/32/78/618103278.db2.gz QVDHHVZRSSOTKA-GFCCVEGCSA-N 1 1 298.224 3.467 20 30 CGEDMO C=C(Br)C[N@H+](C)[C@H](C)Cc1ccccc1OC ZINC000075896450 618103284 /nfs/dbraw/zinc/10/32/84/618103284.db2.gz QVDHHVZRSSOTKA-GFCCVEGCSA-N 1 1 298.224 3.467 20 30 CGEDMO CC[C@H](CC#N)[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000846979643 618159345 /nfs/dbraw/zinc/15/93/45/618159345.db2.gz BSSVKMILTNFNJQ-MFKMUULPSA-N 1 1 287.190 3.309 20 30 CGEDMO Cc1cc(F)ncc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000891604817 618241384 /nfs/dbraw/zinc/24/13/84/618241384.db2.gz QAOWFEZOAUJLEB-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO Cc1cc(F)ncc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000891604817 618241385 /nfs/dbraw/zinc/24/13/85/618241385.db2.gz QAOWFEZOAUJLEB-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO C[C@@H](O)C[N@@H+](Cc1csc(C#N)c1)Cc1ccccc1 ZINC000891721887 618259355 /nfs/dbraw/zinc/25/93/55/618259355.db2.gz IVUZBLJYGZWZBH-CYBMUJFWSA-N 1 1 286.400 3.003 20 30 CGEDMO C=C(C)[C@@H](CO)[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000933818308 618336104 /nfs/dbraw/zinc/33/61/04/618336104.db2.gz HOGJKHZNAVUNKM-GOSISDBHSA-N 1 1 282.387 3.194 20 30 CGEDMO CO[C@@H]1CC[C@H]1[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000934121375 618483012 /nfs/dbraw/zinc/48/30/12/618483012.db2.gz LXQLBCUJMHUARD-HZPDHXFCSA-N 1 1 272.392 3.097 20 30 CGEDMO C[C@@H]1CSCCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000934303339 618585765 /nfs/dbraw/zinc/58/57/65/618585765.db2.gz MAJWRJLOKFBZJB-CYBMUJFWSA-N 1 1 285.416 3.138 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@H+]1CC[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000934338609 618600871 /nfs/dbraw/zinc/60/08/71/618600871.db2.gz AHVLMAZCCHEOSE-YTQUADARSA-N 1 1 296.414 3.301 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000934462284 618623756 /nfs/dbraw/zinc/62/37/56/618623756.db2.gz RPFOUXXUXZDGID-ZDUSSCGKSA-N 1 1 276.336 3.144 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000934462647 618624572 /nfs/dbraw/zinc/62/45/72/618624572.db2.gz ZKIDLQOGZCAFFI-NSHDSACASA-N 1 1 266.728 3.399 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000934462647 618624574 /nfs/dbraw/zinc/62/45/74/618624574.db2.gz ZKIDLQOGZCAFFI-NSHDSACASA-N 1 1 266.728 3.399 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1[C@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000934464552 618625186 /nfs/dbraw/zinc/62/51/86/618625186.db2.gz JIOXPCDAMMGPOH-ZIAGYGMSSA-N 1 1 291.395 3.131 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000934464552 618625188 /nfs/dbraw/zinc/62/51/88/618625188.db2.gz JIOXPCDAMMGPOH-ZIAGYGMSSA-N 1 1 291.395 3.131 20 30 CGEDMO C#C[C@H]1CCCC[N@H+]1Cc1ccc(C(F)(F)F)cn1 ZINC000934516400 618637988 /nfs/dbraw/zinc/63/79/88/618637988.db2.gz HCBYEQZNNUVIQT-ZDUSSCGKSA-N 1 1 268.282 3.088 20 30 CGEDMO C#C[C@H]1CCCC[N@@H+]1Cc1ccc(C(F)(F)F)cn1 ZINC000934516400 618637990 /nfs/dbraw/zinc/63/79/90/618637990.db2.gz HCBYEQZNNUVIQT-ZDUSSCGKSA-N 1 1 268.282 3.088 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)oc3ccccc32)C1 ZINC001007408759 618888918 /nfs/dbraw/zinc/88/89/18/618888918.db2.gz ZQELPWJGHCCTRF-CQSZACIVSA-N 1 1 298.386 3.121 20 30 CGEDMO C=CC[C@@H]([NH2+]Cc1ccc(OCC)o1)c1ccncc1 ZINC000892972284 618967423 /nfs/dbraw/zinc/96/74/23/618967423.db2.gz IHQKYXCAKYODRE-OAHLLOKOSA-N 1 1 272.348 3.480 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H](COC)C(C)C ZINC000930455597 618992670 /nfs/dbraw/zinc/99/26/70/618992670.db2.gz NDYSCRHESOJQOU-OAHLLOKOSA-N 1 1 295.423 3.069 20 30 CGEDMO CC(=[NH+]OCC1CCC1)c1ccc(Cl)c(N)c1 ZINC000853440785 619003248 /nfs/dbraw/zinc/00/32/48/619003248.db2.gz IRNBDQWOHZSRSE-UHFFFAOYSA-N 1 1 252.745 3.463 20 30 CGEDMO CC(=[NH+]n1cc(Br)cn1)C1CCSCC1 ZINC000777444490 619152907 /nfs/dbraw/zinc/15/29/07/619152907.db2.gz WXQLAIXEFWWZRU-UHFFFAOYSA-N 1 1 288.214 3.013 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCSCC[C@H]2C)cc1 ZINC000248808349 619215149 /nfs/dbraw/zinc/21/51/49/619215149.db2.gz CAOJPCPLDJWFPU-ZIAGYGMSSA-N 1 1 290.432 3.305 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccc(C(F)F)c(F)c1 ZINC000893994020 619345339 /nfs/dbraw/zinc/34/53/39/619345339.db2.gz ZBFMCDVSYCUCJO-UHFFFAOYSA-N 1 1 273.298 3.398 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](CC[C@@H]1CCCC1(F)F)C1CC1 ZINC000878299786 619423135 /nfs/dbraw/zinc/42/31/35/619423135.db2.gz ZBDNNJCWUJKACP-RYUDHWBXSA-N 1 1 256.340 3.436 20 30 CGEDMO C=CC[N@@H+](C)[C@@H](C)C(=O)Nc1c(C)cccc1Cl ZINC000878460609 619425084 /nfs/dbraw/zinc/42/50/84/619425084.db2.gz BAKOYVQIOUFGOA-NSHDSACASA-N 1 1 266.772 3.093 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)C(=O)Nc1c(C)cccc1Cl ZINC000878460609 619425086 /nfs/dbraw/zinc/42/50/86/619425086.db2.gz BAKOYVQIOUFGOA-NSHDSACASA-N 1 1 266.772 3.093 20 30 CGEDMO COCc1c(C)cc(C)c(C[NH2+]C[C@@H](C)C#N)c1C ZINC000894452229 619542372 /nfs/dbraw/zinc/54/23/72/619542372.db2.gz APCDODJCHNKNPN-NSHDSACASA-N 1 1 260.381 3.008 20 30 CGEDMO CCCCCCCCC[NH+]1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000792220887 619632674 /nfs/dbraw/zinc/63/26/74/619632674.db2.gz WAFDWWATAQNCIM-ZWKOTPCHSA-N 1 1 296.499 3.268 20 30 CGEDMO CC(C)[C@H]1[N@@H+](CC#Cc2ccccc2)CC12CCOCC2 ZINC000894919279 619682824 /nfs/dbraw/zinc/68/28/24/619682824.db2.gz HAOVMILCSOTLQM-GOSISDBHSA-N 1 1 283.415 3.175 20 30 CGEDMO CCn1cc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c(C)n1 ZINC000895017925 619695825 /nfs/dbraw/zinc/69/58/25/619695825.db2.gz KEENKJORJQRBEQ-CQSZACIVSA-N 1 1 282.391 3.276 20 30 CGEDMO C[C@H]1CC2(C[N@H+]1Cc1csc(C#N)c1)CCOCC2 ZINC000895120454 619739358 /nfs/dbraw/zinc/73/93/58/619739358.db2.gz DFRYYNDXMXKMNP-LBPRGKRZSA-N 1 1 276.405 3.011 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)c2c(n1)CCCC2 ZINC000895314130 619803910 /nfs/dbraw/zinc/80/39/10/619803910.db2.gz QOSRGYZXJYCFFH-HNNXBMFYSA-N 1 1 283.419 3.395 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1cc2c(cccc2O)s1 ZINC000895349217 619809716 /nfs/dbraw/zinc/80/97/16/619809716.db2.gz CKTSQGVJILPXAW-UHFFFAOYSA-N 1 1 289.400 3.079 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cn(CC)nc2-c2ccccc2)C1 ZINC000895389435 619819205 /nfs/dbraw/zinc/81/92/05/619819205.db2.gz FYEJQJZLTBZPEW-MRXNPFEDSA-N 1 1 293.414 3.415 20 30 CGEDMO Cc1oc2ccccc2c1C[N@@H+]1CCC[C@H](C#N)C1 ZINC000896502403 620018223 /nfs/dbraw/zinc/01/82/23/620018223.db2.gz FBFXULJDTYSPRF-CYBMUJFWSA-N 1 1 254.333 3.477 20 30 CGEDMO Cc1oc2ccccc2c1C[N@H+]1CCC[C@H](C#N)C1 ZINC000896502403 620018224 /nfs/dbraw/zinc/01/82/24/620018224.db2.gz FBFXULJDTYSPRF-CYBMUJFWSA-N 1 1 254.333 3.477 20 30 CGEDMO C[N@@H+](CCCCN=Cc1cc2ccccc2[nH]c1=O)C1CC1 ZINC000840709033 620098603 /nfs/dbraw/zinc/09/86/03/620098603.db2.gz HCRIABOBQXFDQU-CPNJWEJPSA-N 1 1 297.402 3.234 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)C2C(C)(C)C2(C)C)CC1 ZINC000985368529 620177743 /nfs/dbraw/zinc/17/77/43/620177743.db2.gz VPWKPEZXYNYOPV-UHFFFAOYSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@H](C)C2CCC2)CC1 ZINC000985499185 620201491 /nfs/dbraw/zinc/20/14/91/620201491.db2.gz JPSMKWUMKHBJOR-CYBMUJFWSA-N 1 1 298.858 3.098 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)c2cc(C)sc2C)CC1 ZINC000985524338 620205242 /nfs/dbraw/zinc/20/52/42/620205242.db2.gz YKQLONJRCXWRCQ-UHFFFAOYSA-N 1 1 292.448 3.087 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)C2(C3CCC3)CCC2)CC1 ZINC000985556975 620209880 /nfs/dbraw/zinc/20/98/80/620209880.db2.gz HVXIQGRFGKMEII-UHFFFAOYSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@]2(C)CCC[C@H]2C)CC1 ZINC000985632403 620223472 /nfs/dbraw/zinc/22/34/72/620223472.db2.gz NHWPUPCGUZPLQK-CRAIPNDOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)[C@@H](C)CC2CCCC2)CC1 ZINC000985689130 620229347 /nfs/dbraw/zinc/22/93/47/620229347.db2.gz PJHAZBWOPQCQNU-HNNXBMFYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000985764603 620236825 /nfs/dbraw/zinc/23/68/25/620236825.db2.gz PBBAKCNRMIUYIZ-UHFFFAOYSA-N 1 1 292.810 3.062 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)[C@@H]2CCCCC2(C)C)CC1 ZINC000989763364 620523581 /nfs/dbraw/zinc/52/35/81/620523581.db2.gz MXNAZIXHZFAYKC-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)C[C@H]3C=CCC3)CCC[C@H]12 ZINC000989943516 620533986 /nfs/dbraw/zinc/53/39/86/620533986.db2.gz XQZKZCBWOJNXIX-XYJFISCASA-N 1 1 288.435 3.032 20 30 CGEDMO C[C@@H]([NH2+][C@H]1CCOc2c(F)cccc21)c1cc(C#N)ccn1 ZINC000902965925 621500452 /nfs/dbraw/zinc/50/04/52/621500452.db2.gz AMQBEAYXGQMKMA-ABAIWWIYSA-N 1 1 297.333 3.267 20 30 CGEDMO COCc1cc([C@H](C)[NH2+]CC2(C#N)CCC2)ccc1OC ZINC000903032157 621534754 /nfs/dbraw/zinc/53/47/54/621534754.db2.gz QTCIQVJYNWXQCI-ZDUSSCGKSA-N 1 1 288.391 3.186 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CCC1)c1ccc(F)cc1N(C)C ZINC000903030420 621535538 /nfs/dbraw/zinc/53/55/38/621535538.db2.gz AQFSZSRNXHYAFQ-LBPRGKRZSA-N 1 1 275.371 3.236 20 30 CGEDMO COc1ccsc1[C@@H](C)[NH2+]CC1(C#N)CCC1 ZINC000903033340 621535933 /nfs/dbraw/zinc/53/59/33/621535933.db2.gz TZRWADZCAFTJLZ-SNVBAGLBSA-N 1 1 250.367 3.101 20 30 CGEDMO Cc1c([C@@H](C)[NH2+]CC(C)(C)C#N)cnn1-c1ccccc1 ZINC000903100780 621574821 /nfs/dbraw/zinc/57/48/21/621574821.db2.gz XQOJKCCMDSFSGT-CYBMUJFWSA-N 1 1 282.391 3.381 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000903107683 621581964 /nfs/dbraw/zinc/58/19/64/621581964.db2.gz BHNNPZQSFFJNOQ-LBPRGKRZSA-N 1 1 273.336 3.329 20 30 CGEDMO C=CCC[C@@H](CC)[NH2+][C@H](CCN(C)C)c1cccnc1 ZINC000903382172 621724291 /nfs/dbraw/zinc/72/42/91/621724291.db2.gz DAFKEXGKCIVVIC-IAGOWNOFSA-N 1 1 275.440 3.409 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccc(O)c(C)c2)no1 ZINC000904688525 621953782 /nfs/dbraw/zinc/95/37/82/621953782.db2.gz CCNHNUHWCUIBLJ-GFCCVEGCSA-N 1 1 273.336 3.107 20 30 CGEDMO C#CCCOc1ccc(C[N@H+](CCC)C2CC2)cc1 ZINC000768290941 625533865 /nfs/dbraw/zinc/53/38/65/625533865.db2.gz KYJJSOQSTUHOHE-UHFFFAOYSA-N 1 1 257.377 3.463 20 30 CGEDMO C=C(C[NH2+][C@H](C)c1cn(C(C)C)nn1)c1ccccc1 ZINC000924839928 622537243 /nfs/dbraw/zinc/53/72/43/622537243.db2.gz ANLRMVGORAUFBX-CQSZACIVSA-N 1 1 270.380 3.223 20 30 CGEDMO C=CCC1(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CCCC1 ZINC000912524165 622676217 /nfs/dbraw/zinc/67/62/17/622676217.db2.gz XOLBOWSTBRFTKX-GJZGRUSLSA-N 1 1 276.424 3.008 20 30 CGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1 ZINC000223670527 622864872 /nfs/dbraw/zinc/86/48/72/622864872.db2.gz GICZXVVCWAKHFB-SZMVWBNQSA-N 1 1 284.403 3.246 20 30 CGEDMO C=C(Br)C[N@H+]1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000157739480 622942955 /nfs/dbraw/zinc/94/29/55/622942955.db2.gz DKTBPOPNAKWFHQ-CYBMUJFWSA-N 1 1 296.208 3.393 20 30 CGEDMO C=C(Br)C[N@@H+]1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000157739480 622942960 /nfs/dbraw/zinc/94/29/60/622942960.db2.gz DKTBPOPNAKWFHQ-CYBMUJFWSA-N 1 1 296.208 3.393 20 30 CGEDMO C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC2(C)C)CC1 ZINC000997012561 625607499 /nfs/dbraw/zinc/60/74/99/625607499.db2.gz UKIFRIPTCQGPIF-TZMCWYRMSA-N 1 1 298.858 3.002 20 30 CGEDMO CCCCCCCC[N@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000157796280 622952347 /nfs/dbraw/zinc/95/23/47/622952347.db2.gz KVYVHLIXVUAUDI-HNNXBMFYSA-N 1 1 268.445 3.324 20 30 CGEDMO C#CC[N@@H+](Cc1csc(N(C)C2CC2)n1)C1CCCC1 ZINC000151819976 623570558 /nfs/dbraw/zinc/57/05/58/623570558.db2.gz FDRVHZVTGCSDFO-UHFFFAOYSA-N 1 1 289.448 3.120 20 30 CGEDMO C#CC[N@H+](Cc1csc(N(C)C2CC2)n1)C1CCCC1 ZINC000151819976 623570566 /nfs/dbraw/zinc/57/05/66/623570566.db2.gz FDRVHZVTGCSDFO-UHFFFAOYSA-N 1 1 289.448 3.120 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc(C3CC3)s2)C1 ZINC001015990493 625679463 /nfs/dbraw/zinc/67/94/63/625679463.db2.gz KWEHRAWQIHSPCT-ZDUSSCGKSA-N 1 1 290.432 3.006 20 30 CGEDMO C[N@@H+](CCOC(C)(C)C)CC1CCC(C#N)CC1 ZINC000929857016 623882480 /nfs/dbraw/zinc/88/24/80/623882480.db2.gz YAMZUBAGMCZTAT-UHFFFAOYSA-N 1 1 252.402 3.063 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C(C)=C2CCCC2)[C@H]1C ZINC000993191160 623906916 /nfs/dbraw/zinc/90/69/16/623906916.db2.gz AFUZMUUKSWXBEP-ZBFHGGJFSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C(F)=C2CCCC2)[C@H]1C ZINC000993240090 623996330 /nfs/dbraw/zinc/99/63/30/623996330.db2.gz WHCQAZYDHMPWBW-HIFRSBDPSA-N 1 1 294.414 3.329 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C2(C)CC=CC2)[C@H]1C ZINC000993781981 624061690 /nfs/dbraw/zinc/06/16/90/624061690.db2.gz YKDLAHMSUGGZCL-CVEARBPZSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](CC=C(C)C)[C@@H]2C)C1 ZINC000993782594 624061985 /nfs/dbraw/zinc/06/19/85/624061985.db2.gz ADUZOJJRMLSKJT-CVEARBPZSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2occc2CC)[C@@H]1C ZINC000993788781 624064473 /nfs/dbraw/zinc/06/44/73/624064473.db2.gz LDUWWUOEJSZNEW-DZGCQCFKSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2csc(C)c2)[C@@H]1C ZINC000994014571 624067749 /nfs/dbraw/zinc/06/77/49/624067749.db2.gz ZTDAWYGIVNETJY-DZGCQCFKSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C)c2C)[C@H]1C ZINC000994327624 624204969 /nfs/dbraw/zinc/20/49/69/624204969.db2.gz LBJPOTPQGPFBCI-WBVHZDCISA-N 1 1 286.419 3.072 20 30 CGEDMO N#CCCC[N@@H+]1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000916977056 624224602 /nfs/dbraw/zinc/22/46/02/624224602.db2.gz HYJKSZXHUCNETP-AWEZNQCLSA-N 1 1 278.783 3.487 20 30 CGEDMO C[N@H+]1CCC[C@@H]1CSc1cccc(Cl)c1C#N ZINC000917408080 624267920 /nfs/dbraw/zinc/26/79/20/624267920.db2.gz UJWZLHUHJFQXGH-SNVBAGLBSA-N 1 1 266.797 3.398 20 30 CGEDMO CCCCCCC[C@H](C)CNC(=O)N1CCC[N@@H+](C)CC1 ZINC000918137297 624336633 /nfs/dbraw/zinc/33/66/33/624336633.db2.gz YDKOECUEJIOOKW-INIZCTEOSA-N 1 1 297.487 3.330 20 30 CGEDMO CCc1[nH+]c(C)cn1Cc1c(C)cc(C#N)cc1C ZINC000918554641 624361871 /nfs/dbraw/zinc/36/18/71/624361871.db2.gz ZFIMSFPEYCNYCP-UHFFFAOYSA-N 1 1 253.349 3.291 20 30 CGEDMO C#CCCC[N@H+](C)Cc1ccc(OC(F)F)c(OC)c1 ZINC000766895454 624382173 /nfs/dbraw/zinc/38/21/73/624382173.db2.gz MNFQPDPKYPVKMB-UHFFFAOYSA-N 1 1 283.318 3.142 20 30 CGEDMO CC(C)C[N@H+](CCC#N)Cn1cnc2cc(F)c(F)cc21 ZINC000919944961 624434480 /nfs/dbraw/zinc/43/44/80/624434480.db2.gz SSKBABWJVXVQKQ-UHFFFAOYSA-N 1 1 292.333 3.144 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)Cn1cnc2cc(F)c(F)cc21 ZINC000919944961 624434481 /nfs/dbraw/zinc/43/44/81/624434481.db2.gz SSKBABWJVXVQKQ-UHFFFAOYSA-N 1 1 292.333 3.144 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2ccc(C)o2)CC1 ZINC000997920456 625771085 /nfs/dbraw/zinc/77/10/85/625771085.db2.gz IOZVAFLMWHQYPA-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2occc2C)CC1 ZINC000997929948 625774528 /nfs/dbraw/zinc/77/45/28/625774528.db2.gz SVHVODALSBGGHT-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)C2=CCCC2)CC1 ZINC000997973271 625779803 /nfs/dbraw/zinc/77/98/03/625779803.db2.gz WZQGGDGLVPQYBW-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO N#Cc1cc(C[NH2+][C@H]2CCOc3ccc(F)cc32)cs1 ZINC000921718820 625853498 /nfs/dbraw/zinc/85/34/98/625853498.db2.gz MVANITQLHLUMNP-AWEZNQCLSA-N 1 1 288.347 3.372 20 30 CGEDMO C[C@H]([NH2+]Cc1csc(C#N)c1)c1nc2ccccc2n1C ZINC000921754722 625864458 /nfs/dbraw/zinc/86/44/58/625864458.db2.gz NQQHWNRXQYTHPA-NSHDSACASA-N 1 1 296.399 3.357 20 30 CGEDMO C(#Cc1ccccc1)C[NH2+]Cc1nccc2c1CCCC2 ZINC000921754239 625864523 /nfs/dbraw/zinc/86/45/23/625864523.db2.gz GSRYJAQFWCZLFA-UHFFFAOYSA-N 1 1 276.383 3.102 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCCC2(C)C)CC1 ZINC001001052817 625889132 /nfs/dbraw/zinc/88/91/32/625889132.db2.gz XLVIFKVSYRWTQX-MRXNPFEDSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@H](C)C2)CC1 ZINC001001103825 625889608 /nfs/dbraw/zinc/88/96/08/625889608.db2.gz BZJSHPGTCBOLFV-DOTOQJQBSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@H]2C[C@@]2(C)CC)CC1 ZINC001001322841 625894575 /nfs/dbraw/zinc/89/45/75/625894575.db2.gz ACFUUQDDUBTBFG-SJLPKXTDSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)C=C2CCCCC2)CC1 ZINC001002408987 625928383 /nfs/dbraw/zinc/92/83/83/625928383.db2.gz XIXPKNQACUGQRQ-UHFFFAOYSA-N 1 1 296.842 3.210 20 30 CGEDMO N#Cc1cncc(C[N@@H+](CC2CCCCC2)C2CC2)c1 ZINC000929292529 625997077 /nfs/dbraw/zinc/99/70/77/625997077.db2.gz FEACXEIJDCRFRZ-UHFFFAOYSA-N 1 1 269.392 3.498 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@H](C)c2ccc(F)cc2C)nn1 ZINC000922667468 626029073 /nfs/dbraw/zinc/02/90/73/626029073.db2.gz MXYVMBFMWGZFRD-CYBMUJFWSA-N 1 1 288.370 3.153 20 30 CGEDMO CCc1cnc(C[NH2+]Cc2ccc(C)c(C#N)c2)s1 ZINC000922759799 626042823 /nfs/dbraw/zinc/04/28/23/626042823.db2.gz UHHXHSHCJOPLLN-UHFFFAOYSA-N 1 1 271.389 3.175 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)/C(C)=C/C)CC1 ZINC001004397205 626047167 /nfs/dbraw/zinc/04/71/67/626047167.db2.gz BMSFNSAIWZNTJP-GYKBNXPHSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@@H+](C)C2CCC2)c1O ZINC000164411327 626086697 /nfs/dbraw/zinc/08/66/97/626086697.db2.gz WZKRDSKWIOPSFW-UHFFFAOYSA-N 1 1 261.365 3.114 20 30 CGEDMO C=CCOc1ccc(C[NH2+]Cc2cc(C3CC3)n(C)n2)cc1 ZINC000922954675 626107375 /nfs/dbraw/zinc/10/73/75/626107375.db2.gz LVDOVSFLDRTGDT-UHFFFAOYSA-N 1 1 297.402 3.152 20 30 CGEDMO N#Cc1cc(F)ccc1CO[NH+]=C(N)C1CCCCC1 ZINC000103136132 626238691 /nfs/dbraw/zinc/23/86/91/626238691.db2.gz LLHOQJXRRALKIP-UHFFFAOYSA-N 1 1 275.327 3.066 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCCC[C@H]2COCC)cc1 ZINC000839175032 626325756 /nfs/dbraw/zinc/32/57/56/626325756.db2.gz OLYYQAQXWWRVGG-KRWDZBQOSA-N 1 1 257.377 3.059 20 30 CGEDMO C[C@@H](CC#N)[N@@H+](C)Cc1c(O)ccc2ccccc21 ZINC000103460835 626353103 /nfs/dbraw/zinc/35/31/03/626353103.db2.gz PDKILIZEXWKUNG-LBPRGKRZSA-N 1 1 254.333 3.279 20 30 CGEDMO C[C@@H]1[C@@H](C)CC[N@H+]1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000751943969 626412500 /nfs/dbraw/zinc/41/25/00/626412500.db2.gz SGKOWCVVNXZOHD-UONOGXRCSA-N 1 1 280.375 3.110 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC#N)C[C@H]1C ZINC000752076093 626417718 /nfs/dbraw/zinc/41/77/18/626417718.db2.gz NPMTUWDHZXMBOA-TXEJJXNPSA-N 1 1 278.783 3.330 20 30 CGEDMO C#Cc1ccc(C[NH2+]Cc2csc(C3CC3)n2)cc1 ZINC000809618766 626445849 /nfs/dbraw/zinc/44/58/49/626445849.db2.gz NCULLXXGKDVHKN-UHFFFAOYSA-N 1 1 268.385 3.292 20 30 CGEDMO C[C@H]1CC(N=Nc2nc3ccccc3s2)C[N@@H+]1C1CC1 ZINC000753965821 626470438 /nfs/dbraw/zinc/47/04/38/626470438.db2.gz IDUHGXCTCTVKTN-JTQLQIEISA-N 1 1 286.404 3.321 20 30 CGEDMO C[C@H]1CC(N=Nc2nc3ccccc3s2)C[N@H+]1C1CC1 ZINC000753965821 626470439 /nfs/dbraw/zinc/47/04/39/626470439.db2.gz IDUHGXCTCTVKTN-JTQLQIEISA-N 1 1 286.404 3.321 20 30 CGEDMO CC(C)[N@@H+]1CC(N=Nc2c(F)cccc2F)[C@H](C)C1 ZINC000754258076 626565129 /nfs/dbraw/zinc/56/51/29/626565129.db2.gz HANTTYSDHGQSSE-SNVBAGLBSA-N 1 1 267.323 3.093 20 30 CGEDMO COc1cccc(/C=N\[C@H]2C[N@@H+](C)Cc3ccccc32)c1O ZINC000756841457 626736607 /nfs/dbraw/zinc/73/66/07/626736607.db2.gz VBVPYTYMHNUBIC-WSLMLHKMSA-N 1 1 296.370 3.006 20 30 CGEDMO C#CC[N@H+](CCOc1ccccc1OCC)C1CCCC1 ZINC000756912271 626741203 /nfs/dbraw/zinc/74/12/03/626741203.db2.gz ODAYHYJGFSSSAM-UHFFFAOYSA-N 1 1 287.403 3.342 20 30 CGEDMO C#CC[C@@H]([NH2+]Cc1ccccc1C#N)c1ccccc1 ZINC000756996666 626745795 /nfs/dbraw/zinc/74/57/95/626745795.db2.gz HRVZMDGHLORLOK-GOSISDBHSA-N 1 1 260.340 3.412 20 30 CGEDMO C#CCN(Cc1ccc(F)cc1)Cc1cc(OC)cc(C)[nH+]1 ZINC000757086237 626753952 /nfs/dbraw/zinc/75/39/52/626753952.db2.gz ZZYKQIVWFKFETR-UHFFFAOYSA-N 1 1 298.361 3.173 20 30 CGEDMO C[C@@H]1CC(=NNC2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000757574882 626789754 /nfs/dbraw/zinc/78/97/54/626789754.db2.gz MUQGLYGXOONFGW-CQSZACIVSA-N 1 1 271.408 3.169 20 30 CGEDMO C[C@@H]1CC(=NNC2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000757574882 626789757 /nfs/dbraw/zinc/78/97/57/626789757.db2.gz MUQGLYGXOONFGW-CQSZACIVSA-N 1 1 271.408 3.169 20 30 CGEDMO Cc1cccc(N[NH+]=Cc2ccc(N3CCCC3)nc2)c1 ZINC000758358837 626838669 /nfs/dbraw/zinc/83/86/69/626838669.db2.gz LYMJSFMLGHFGJK-UHFFFAOYSA-N 1 1 280.375 3.436 20 30 CGEDMO C=CCCCCCCNC(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000805191159 626929737 /nfs/dbraw/zinc/92/97/37/626929737.db2.gz SLMRDXNUPNXYDO-HUUCEWRRSA-N 1 1 293.455 3.047 20 30 CGEDMO CC[N@@H+](c1ccc(Nc2cc(C#N)ncn2)cc1)C(C)C ZINC000764756939 627221916 /nfs/dbraw/zinc/22/19/16/627221916.db2.gz JXPAATWDDROBGK-UHFFFAOYSA-N 1 1 281.363 3.327 20 30 CGEDMO CC[N@H+](c1ccc(Nc2cc(C#N)ncn2)cc1)C(C)C ZINC000764756939 627221918 /nfs/dbraw/zinc/22/19/18/627221918.db2.gz JXPAATWDDROBGK-UHFFFAOYSA-N 1 1 281.363 3.327 20 30 CGEDMO C=CCCC[C@@H](C)OC(=O)[C@H]1CCCC[N@H+]1CC ZINC000765480312 627252726 /nfs/dbraw/zinc/25/27/26/627252726.db2.gz KFOWYWNSBZNGIB-ZIAGYGMSSA-N 1 1 253.386 3.149 20 30 CGEDMO C=CCCC[C@@H](C)OC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000765480312 627252730 /nfs/dbraw/zinc/25/27/30/627252730.db2.gz KFOWYWNSBZNGIB-ZIAGYGMSSA-N 1 1 253.386 3.149 20 30 CGEDMO C#CCOc1ccc([C@@H](C)NCC[N@@H+](C)[C@@H](C)CC)cc1 ZINC000765654561 627265052 /nfs/dbraw/zinc/26/50/52/627265052.db2.gz KILZCQHPVDFSFU-JKSUJKDBSA-N 1 1 288.435 3.080 20 30 CGEDMO C#CCOc1ccc([C@@H](C)NCC[N@H+](C)[C@@H](C)CC)cc1 ZINC000765654561 627265056 /nfs/dbraw/zinc/26/50/56/627265056.db2.gz KILZCQHPVDFSFU-JKSUJKDBSA-N 1 1 288.435 3.080 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@H]1c1cc(OC)ccc1OC ZINC000766894596 627367754 /nfs/dbraw/zinc/36/77/54/627367754.db2.gz FFOWFRHCRSZEJZ-INIZCTEOSA-N 1 1 273.376 3.254 20 30 CGEDMO C#CCCC[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000766896635 627368346 /nfs/dbraw/zinc/36/83/46/627368346.db2.gz VXJGMOWPJLEUNR-ZWKOTPCHSA-N 1 1 271.404 3.500 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767881972 627441173 /nfs/dbraw/zinc/44/11/73/627441173.db2.gz GPWSNHSWBXYNTB-DZGCQCFKSA-N 1 1 299.336 3.432 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000768360251 627475939 /nfs/dbraw/zinc/47/59/39/627475939.db2.gz MCBNIGCYRYLOGG-GOSISDBHSA-N 1 1 292.382 3.431 20 30 CGEDMO C=CC[N@@H+](C[C@@H]1CCCN1C(=O)OC(C)(C)C)C(C)C ZINC000768546422 627485936 /nfs/dbraw/zinc/48/59/36/627485936.db2.gz ASWGHVZAYHQQRO-AWEZNQCLSA-N 1 1 282.428 3.282 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCS[C@H](C)[C@H]2C)cc1 ZINC000769447836 627553425 /nfs/dbraw/zinc/55/34/25/627553425.db2.gz YBQHPDRRSAGJPY-ZIAGYGMSSA-N 1 1 275.417 3.024 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+](C)CCCC=C)cc1 ZINC000769463938 627555581 /nfs/dbraw/zinc/55/55/81/627555581.db2.gz UQMKFKJBDAYBGI-UHFFFAOYSA-N 1 1 257.377 3.487 20 30 CGEDMO CCC(=[NH+]NCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000769825069 627582140 /nfs/dbraw/zinc/58/21/40/627582140.db2.gz OUEZUHDIKICBST-UHFFFAOYSA-N 1 1 273.302 3.019 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(Br)cc1C ZINC000769978096 627594157 /nfs/dbraw/zinc/59/41/57/627594157.db2.gz PYFXZJMUCTWAGC-LLVKDONJSA-N 1 1 266.182 3.211 20 30 CGEDMO C#CCCCCCCOC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000835712493 634605790 /nfs/dbraw/zinc/60/57/90/634605790.db2.gz HYQHPDLWPXSBAI-UHFFFAOYSA-N 1 1 297.358 3.008 20 30 CGEDMO C=C(CC)C[N@@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000773433527 627882510 /nfs/dbraw/zinc/88/25/10/627882510.db2.gz YYSKIHDBYCQUJY-UHFFFAOYSA-N 1 1 284.444 3.435 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1OC ZINC000775182575 628070033 /nfs/dbraw/zinc/07/00/33/628070033.db2.gz DNICOBZDFJETLU-VIFPVBQESA-N 1 1 272.175 3.456 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1cc(Cl)cc(Cl)c1OC ZINC000775182575 628070035 /nfs/dbraw/zinc/07/00/35/628070035.db2.gz DNICOBZDFJETLU-VIFPVBQESA-N 1 1 272.175 3.456 20 30 CGEDMO C#C[C@H]([NH2+]Cc1cc(Cl)ccc1Cl)[C@@H]1CCCO1 ZINC000775343708 628084610 /nfs/dbraw/zinc/08/46/10/628084610.db2.gz XJGDMQWHTSOZPK-KBPBESRZSA-N 1 1 284.186 3.264 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1cccc(Cl)c1Cl)[C@@H]1CCCO1 ZINC000775341896 628084798 /nfs/dbraw/zinc/08/47/98/628084798.db2.gz OGIRBIKIBRTWPY-OLZOCXBDSA-N 1 1 284.186 3.264 20 30 CGEDMO C[NH+](C)[C@@H]1CCC[C@H](N[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000775397018 628089716 /nfs/dbraw/zinc/08/97/16/628089716.db2.gz RUEPWSSFHNEZMZ-YQVWRLOYSA-N 1 1 297.446 3.398 20 30 CGEDMO C=C(C)CC[NH+]1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC000775565082 628107282 /nfs/dbraw/zinc/10/72/82/628107282.db2.gz CXIUGUZALIRCBX-UHFFFAOYSA-N 1 1 290.382 3.117 20 30 CGEDMO Cc1cc2ccccc2nc1N=NC1CC[N@H+]2CCC[C@@H]12 ZINC000776783847 628231972 /nfs/dbraw/zinc/23/19/72/628231972.db2.gz WRRSEHKIWVFETL-INIZCTEOSA-N 1 1 280.375 3.179 20 30 CGEDMO CN(CCC#N)c1ccc(C=[NH+]OCCC(F)(F)F)cc1 ZINC000777464243 628274297 /nfs/dbraw/zinc/27/42/97/628274297.db2.gz RWHIIDUZIRTTFK-UHFFFAOYSA-N 1 1 299.296 3.339 20 30 CGEDMO CCc1oc2ccccc2c1C=NNc1cc[nH+]cc1 ZINC000779807260 628432911 /nfs/dbraw/zinc/43/29/11/628432911.db2.gz QAHPUUZQMKDIAL-UHFFFAOYSA-N 1 1 265.316 3.258 20 30 CGEDMO Fc1ccc(C(F)(F)F)cc1C=NNc1cc[nH+]cc1 ZINC000779808918 628433576 /nfs/dbraw/zinc/43/35/76/628433576.db2.gz CAYRUJFJOZTZEV-UHFFFAOYSA-N 1 1 283.228 3.107 20 30 CGEDMO Fc1ccccc1-c1ccc(C=NNc2cc[nH+]cc2)o1 ZINC000779809825 628434060 /nfs/dbraw/zinc/43/40/60/628434060.db2.gz VQHJTWADNVJEDL-UHFFFAOYSA-N 1 1 281.290 3.349 20 30 CGEDMO C=C(Br)C[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000780375116 628485629 /nfs/dbraw/zinc/48/56/29/628485629.db2.gz SBEDWIFHZOTZEF-CYBMUJFWSA-N 1 1 296.208 3.296 20 30 CGEDMO C=C(Br)C[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000780375116 628485633 /nfs/dbraw/zinc/48/56/33/628485633.db2.gz SBEDWIFHZOTZEF-CYBMUJFWSA-N 1 1 296.208 3.296 20 30 CGEDMO C=CCn1c(C)nn(C[N@H+]2CCC[C@H](C(C)C)C2)c1=S ZINC000780496446 628493222 /nfs/dbraw/zinc/49/32/22/628493222.db2.gz JKTPLZMPEDPLBK-AWEZNQCLSA-N 1 1 294.468 3.234 20 30 CGEDMO C=CCn1c(C)nn(C[N@@H+]2CCC[C@H](C(C)C)C2)c1=S ZINC000780496446 628493224 /nfs/dbraw/zinc/49/32/24/628493224.db2.gz JKTPLZMPEDPLBK-AWEZNQCLSA-N 1 1 294.468 3.234 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000784011956 628765724 /nfs/dbraw/zinc/76/57/24/628765724.db2.gz GCMRBGNEXGIPPF-QGZVFWFLSA-N 1 1 270.376 3.007 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)[C@@H](C)c2ccncc2)cc1 ZINC000787773674 629029249 /nfs/dbraw/zinc/02/92/49/629029249.db2.gz CPPPVJCALHVQLB-AWEZNQCLSA-N 1 1 250.345 3.256 20 30 CGEDMO CC[N@@H+](Cc1ccc(C(=O)OC[C@@H](C)C#N)cc1)C(C)C ZINC000805898772 629150115 /nfs/dbraw/zinc/15/01/15/629150115.db2.gz BARNUXHWNZCMDY-AWEZNQCLSA-N 1 1 288.391 3.233 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccc(N(CC)CC)cc1 ZINC000792193190 629348074 /nfs/dbraw/zinc/34/80/74/629348074.db2.gz RSQZGZQKNRYUKR-UHFFFAOYSA-N 1 1 276.424 3.167 20 30 CGEDMO Cc1cccc2c1CC[N@@H+](CC#Cc1ccccc1)C2 ZINC000792216804 629349279 /nfs/dbraw/zinc/34/92/79/629349279.db2.gz CCXVNJDEVVPXMR-UHFFFAOYSA-N 1 1 261.368 3.405 20 30 CGEDMO CCCCCCCCC[N@@H+]1CCn2cnnc2[C@H]1C ZINC000792374247 629358207 /nfs/dbraw/zinc/35/82/07/629358207.db2.gz BSEMLEVTFFMARX-CQSZACIVSA-N 1 1 264.417 3.405 20 30 CGEDMO CCCCCCCCC[N@H+]1CCn2cnnc2[C@H]1C ZINC000792374247 629358211 /nfs/dbraw/zinc/35/82/11/629358211.db2.gz BSEMLEVTFFMARX-CQSZACIVSA-N 1 1 264.417 3.405 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccsc2Br)C1 ZINC000862403143 629364554 /nfs/dbraw/zinc/36/45/54/629364554.db2.gz WGMLGNGUIPDWKG-SNVBAGLBSA-N 1 1 284.222 3.356 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccsc2Br)C1 ZINC000862403143 629364558 /nfs/dbraw/zinc/36/45/58/629364558.db2.gz WGMLGNGUIPDWKG-SNVBAGLBSA-N 1 1 284.222 3.356 20 30 CGEDMO C[C@H](C#N)Oc1ccc(Cn2c[nH+]c3c2CCCC3)cc1 ZINC000862431712 629371126 /nfs/dbraw/zinc/37/11/26/629371126.db2.gz QYUSIDXFXVCKJX-CYBMUJFWSA-N 1 1 281.359 3.101 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(Cn2c[nH+]c3c2CCCC3)cc1 ZINC000862431713 629371649 /nfs/dbraw/zinc/37/16/49/629371649.db2.gz QYUSIDXFXVCKJX-ZDUSSCGKSA-N 1 1 281.359 3.101 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(Br)ccc2F)C1 ZINC000862442475 629375738 /nfs/dbraw/zinc/37/57/38/629375738.db2.gz CISKGRDUKZYWIX-LLVKDONJSA-N 1 1 296.183 3.433 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cccc(OC)c2OC(C)C)C1 ZINC000862443232 629375937 /nfs/dbraw/zinc/37/59/37/629375937.db2.gz MLQKIELTVBOXKL-OAHLLOKOSA-N 1 1 287.403 3.328 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccccc2OC(C)C)C1 ZINC000862443325 629376482 /nfs/dbraw/zinc/37/64/82/629376482.db2.gz OGJBYGIEECQXDF-HNNXBMFYSA-N 1 1 257.377 3.319 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000862443637 629376669 /nfs/dbraw/zinc/37/66/69/629376669.db2.gz ROAMUVGRFJYMDX-LBPRGKRZSA-N 1 1 295.329 3.142 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000862444747 629378633 /nfs/dbraw/zinc/37/86/33/629378633.db2.gz GLMYMFZGSRTWIH-CQSZACIVSA-N 1 1 285.387 3.177 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000862445425 629379315 /nfs/dbraw/zinc/37/93/15/629379315.db2.gz SWHHBSFTDBWDFX-ZDUSSCGKSA-N 1 1 283.350 3.061 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cscc2Br)C1 ZINC000862446614 629379338 /nfs/dbraw/zinc/37/93/38/629379338.db2.gz BOZGGZJBKOEEQX-SNVBAGLBSA-N 1 1 284.222 3.356 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000862445649 629379891 /nfs/dbraw/zinc/37/98/91/629379891.db2.gz YUIROPZVWPWUEK-HSBHDXMMSA-N 1 1 261.315 3.323 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cc(C)c3ncccc3c2)C1 ZINC000862445326 629380106 /nfs/dbraw/zinc/38/01/06/629380106.db2.gz QNKNWYQECSQALW-HNNXBMFYSA-N 1 1 264.372 3.388 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Cl)cc1-n1cncn1)C(C)C ZINC000792796243 629382415 /nfs/dbraw/zinc/38/24/15/629382415.db2.gz ZNDHBIUBWSPPGT-UHFFFAOYSA-N 1 1 290.798 3.317 20 30 CGEDMO C=CCOc1ccc(C[NH+]2CCC(F)(F)CC2)cc1OC ZINC000793351942 629446446 /nfs/dbraw/zinc/44/64/46/629446446.db2.gz JJVZMBDVSGUPEJ-UHFFFAOYSA-N 1 1 297.345 3.491 20 30 CGEDMO C=CCCCCC[C@@H](C)[NH2+]C[C@H]1CCN(CC)C1 ZINC000793520699 629471862 /nfs/dbraw/zinc/47/18/62/629471862.db2.gz HJVSYEVJEUMBQJ-HZPDHXFCSA-N 1 1 252.446 3.443 20 30 CGEDMO FC(F)(F)c1ccc(CON=C2C[N@H+]3C[C@@H]2CCC3)cc1 ZINC000863103951 629472780 /nfs/dbraw/zinc/47/27/80/629472780.db2.gz OXWHDLUVWDHEGT-LBPRGKRZSA-N 1 1 298.308 3.304 20 30 CGEDMO CCC(=[NH+]OCCC(F)(F)F)c1ccc(N)cc1 ZINC000863108096 629473943 /nfs/dbraw/zinc/47/39/43/629473943.db2.gz GMYTZUGNGSFLEW-UHFFFAOYSA-N 1 1 260.259 3.352 20 30 CGEDMO C=CC[N@@H+](CCC#N)Cc1c(O)ccc2ccc(OC)cc21 ZINC000793559650 629484284 /nfs/dbraw/zinc/48/42/84/629484284.db2.gz CGVHRFIGCABCSU-UHFFFAOYSA-N 1 1 296.370 3.456 20 30 CGEDMO C=CC[N@H+](CCC#N)Cc1c(O)ccc2ccc(OC)cc21 ZINC000793559650 629484286 /nfs/dbraw/zinc/48/42/86/629484286.db2.gz CGVHRFIGCABCSU-UHFFFAOYSA-N 1 1 296.370 3.456 20 30 CGEDMO CC[C@@H](C)N[NH+]=Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000794534411 629551142 /nfs/dbraw/zinc/55/11/42/629551142.db2.gz HFLAYOADUWBSQW-SNVBAGLBSA-N 1 1 287.329 3.493 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795134015 629634817 /nfs/dbraw/zinc/63/48/17/629634817.db2.gz VWZLFUBMAYELIX-HUUCEWRRSA-N 1 1 294.439 3.284 20 30 CGEDMO C=CCCC[C@@H](C)[N@@H+]1CCn2c(Br)cnc2C1 ZINC000796043591 629739338 /nfs/dbraw/zinc/73/93/38/629739338.db2.gz LEVSATRQEJPDQD-LLVKDONJSA-N 1 1 298.228 3.206 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCn2c(Br)cnc2C1 ZINC000796043591 629739342 /nfs/dbraw/zinc/73/93/42/629739342.db2.gz LEVSATRQEJPDQD-LLVKDONJSA-N 1 1 298.228 3.206 20 30 CGEDMO C#CC[N@@H+](CCOc1cccc(C#N)c1)Cc1ccccc1 ZINC000796640260 629808874 /nfs/dbraw/zinc/80/88/74/629808874.db2.gz OWILHDWUOQNYFQ-UHFFFAOYSA-N 1 1 290.366 3.072 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)C[C@@H](O)CC1CCCC1 ZINC000796638097 629809200 /nfs/dbraw/zinc/80/92/00/629809200.db2.gz FTALPGVUTUSATA-SFHVURJKSA-N 1 1 271.404 3.063 20 30 CGEDMO C#CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000796641836 629809997 /nfs/dbraw/zinc/80/99/97/629809997.db2.gz UZIRVDGNHXCYBP-UHFFFAOYSA-N 1 1 294.354 3.273 20 30 CGEDMO CCON=C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000797787119 629982316 /nfs/dbraw/zinc/98/23/16/629982316.db2.gz BSNZYTDCLVMGGV-UHFFFAOYSA-N 1 1 260.381 3.454 20 30 CGEDMO C#CCOc1ccc(C[N@@H+](C)Cc2ccsc2)cc1 ZINC000120476561 630041400 /nfs/dbraw/zinc/04/14/00/630041400.db2.gz GQFWUPXQALYZML-UHFFFAOYSA-N 1 1 271.385 3.392 20 30 CGEDMO C=CCN(C(=O)Nc1cc(C)c2[nH+]ccn2c1)C(C)C ZINC000836689432 634791142 /nfs/dbraw/zinc/79/11/42/634791142.db2.gz JABIHNMLRVAVMG-UHFFFAOYSA-N 1 1 272.352 3.071 20 30 CGEDMO C=CC[N@@H+](CC[C@H]1CCOC1=O)CC1CCCCC1 ZINC000120574158 630140531 /nfs/dbraw/zinc/14/05/31/630140531.db2.gz JZTGEXLIBIVTQZ-HNNXBMFYSA-N 1 1 265.397 3.008 20 30 CGEDMO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@H](C)CC(C)C)c1 ZINC000799113441 630144989 /nfs/dbraw/zinc/14/49/89/630144989.db2.gz GDAKZTWGRNDMNI-HNNXBMFYSA-N 1 1 286.419 3.220 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799194267 630156562 /nfs/dbraw/zinc/15/65/62/630156562.db2.gz RMIBLLAIMUFHSA-QGZVFWFLSA-N 1 1 277.371 3.251 20 30 CGEDMO FC(F)C1CCC(=[NH+]n2cc(Br)cn2)CC1 ZINC000799483346 630188832 /nfs/dbraw/zinc/18/88/32/630188832.db2.gz XMSVHGYVNXCUGK-UHFFFAOYSA-N 1 1 292.127 3.305 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C#N)c(OC)c1)C1CCCCC1 ZINC000799732798 630228173 /nfs/dbraw/zinc/22/81/73/630228173.db2.gz NXXZNIYXQZFSJW-UHFFFAOYSA-N 1 1 282.387 3.335 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000801909281 630364161 /nfs/dbraw/zinc/36/41/61/630364161.db2.gz ABONTDZVOVVSTD-IUODEOHRSA-N 1 1 278.783 3.406 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000801913521 630364587 /nfs/dbraw/zinc/36/45/87/630364587.db2.gz WHJXQHNNKKTOAH-GFCCVEGCSA-N 1 1 278.783 3.233 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000801913597 630364925 /nfs/dbraw/zinc/36/49/25/630364925.db2.gz XZMYNYNWHVPHLZ-SNVBAGLBSA-N 1 1 287.190 3.354 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000801916018 630365742 /nfs/dbraw/zinc/36/57/42/630365742.db2.gz QEAPDWOIZZKQIO-DZGCQCFKSA-N 1 1 292.810 3.276 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000801931074 630369188 /nfs/dbraw/zinc/36/91/88/630369188.db2.gz OOYPXZJBJVUYJF-KBPBESRZSA-N 1 1 258.365 3.141 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000801937854 630370808 /nfs/dbraw/zinc/37/08/08/630370808.db2.gz AOXFALIYHZTJOO-FKLRVFMWSA-N 1 1 270.376 3.093 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000802009814 630373916 /nfs/dbraw/zinc/37/39/16/630373916.db2.gz UOEWDLCEKVSZCR-KRWDZBQOSA-N 1 1 294.439 3.286 20 30 CGEDMO C=CC[N@H+](CCC(=O)C(C)C)Cc1cccs1 ZINC000808705681 630667201 /nfs/dbraw/zinc/66/72/01/630667201.db2.gz OEDIPCWUXLYIHC-UHFFFAOYSA-N 1 1 251.395 3.351 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CCCc3occc3C2)cc1 ZINC000808794738 630678706 /nfs/dbraw/zinc/67/87/06/630678706.db2.gz DPPVSBYEMSECMM-UHFFFAOYSA-N 1 1 282.343 3.130 20 30 CGEDMO N#CCC1(C[N@@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)CC1 ZINC000878222857 635421273 /nfs/dbraw/zinc/42/12/73/635421273.db2.gz JHFGACVLGPOGBK-DLBZAZTESA-N 1 1 284.403 3.268 20 30 CGEDMO C#Cc1ccc(C[N@H+](Cc2ccccc2)C[C@H](O)CC)cc1 ZINC000809583971 630754324 /nfs/dbraw/zinc/75/43/24/630754324.db2.gz SRJFVRXKYSOKOT-HXUWFJFHSA-N 1 1 293.410 3.441 20 30 CGEDMO C#Cc1ccc(CNCC[N@H+]2CCCC[C@H]2CC)cc1 ZINC000809618413 630763250 /nfs/dbraw/zinc/76/32/50/630763250.db2.gz IHMADOFNZIIINJ-GOSISDBHSA-N 1 1 270.420 3.022 20 30 CGEDMO C#Cc1ccc(CNCC[N@@H+]2CCCC[C@H]2CC)cc1 ZINC000809618413 630763256 /nfs/dbraw/zinc/76/32/56/630763256.db2.gz IHMADOFNZIIINJ-GOSISDBHSA-N 1 1 270.420 3.022 20 30 CGEDMO C#Cc1ccc(CNCC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000809639426 630771647 /nfs/dbraw/zinc/77/16/47/630771647.db2.gz UPODKEAXDAIVIU-MRXNPFEDSA-N 1 1 270.420 3.022 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCOCC3(CCCC3)C2)cc1 ZINC000809643452 630772904 /nfs/dbraw/zinc/77/29/04/630772904.db2.gz USIRURGDUWFFGZ-UHFFFAOYSA-N 1 1 269.388 3.061 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1cc(C)cc(Br)c1O)C(C)C ZINC000809685876 630781970 /nfs/dbraw/zinc/78/19/70/630781970.db2.gz XFXIPKKZZISKDY-CYBMUJFWSA-N 1 1 296.208 3.211 20 30 CGEDMO C#C[C@H](CC)N[C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000809686364 630783351 /nfs/dbraw/zinc/78/33/51/630783351.db2.gz OAYBAZBVXMPSSR-IAGOWNOFSA-N 1 1 270.420 3.041 20 30 CGEDMO C#C[C@H](CC)N[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000809686364 630783355 /nfs/dbraw/zinc/78/33/55/630783355.db2.gz OAYBAZBVXMPSSR-IAGOWNOFSA-N 1 1 270.420 3.041 20 30 CGEDMO C#CC[C@H]([NH2+]Cc1oc(C)nc1C)c1ccccc1 ZINC000809972084 630823172 /nfs/dbraw/zinc/82/31/72/630823172.db2.gz QQLPNPDALGNLPU-HNNXBMFYSA-N 1 1 254.333 3.146 20 30 CGEDMO CCCCCCCCCC[NH2+][C@]1(C)CCOC1=O ZINC000810097201 630838164 /nfs/dbraw/zinc/83/81/64/630838164.db2.gz GBLQNXUCACMUEP-OAHLLOKOSA-N 1 1 255.402 3.422 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)CC1(SC)CCC1 ZINC000811505747 631077282 /nfs/dbraw/zinc/07/72/82/631077282.db2.gz HEDHRRGVDVBYPM-UHFFFAOYSA-N 1 1 259.418 3.408 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000811513113 631079601 /nfs/dbraw/zinc/07/96/01/631079601.db2.gz WJHULTVMGZCPQF-CYBMUJFWSA-N 1 1 279.330 3.176 20 30 CGEDMO CC[N@@H+](CCC(C)(C)C#N)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812852985 631326735 /nfs/dbraw/zinc/32/67/35/631326735.db2.gz MGEQHGXOAYGIHH-GOEBONIOSA-N 1 1 274.408 3.370 20 30 CGEDMO CC[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)cnc1Cl ZINC000876524187 634851105 /nfs/dbraw/zinc/85/11/05/634851105.db2.gz LLQGXRSYIKALJL-CYBMUJFWSA-N 1 1 263.772 3.371 20 30 CGEDMO CC[C@@H]1CCCC[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000876524187 634851106 /nfs/dbraw/zinc/85/11/06/634851106.db2.gz LLQGXRSYIKALJL-CYBMUJFWSA-N 1 1 263.772 3.371 20 30 CGEDMO CC(=[NH+]N[C@H](C)C(C)(C)C)c1cc(F)c(N)c(F)c1 ZINC000814937801 631691640 /nfs/dbraw/zinc/69/16/40/631691640.db2.gz PPIBXMGVBGGQAO-SECBINFHSA-N 1 1 269.339 3.295 20 30 CGEDMO C#CCNC(=O)CC[N@@H+]1CCCCC[C@@H]1c1cccc(C)c1 ZINC000815051109 631707598 /nfs/dbraw/zinc/70/75/98/631707598.db2.gz MYTRIBDOLDHOOX-GOSISDBHSA-N 1 1 298.430 3.052 20 30 CGEDMO C[C@]1(C#N)CCC[N@H+](C[C@H](O)c2cccc3ccccc32)C1 ZINC000815091253 631715402 /nfs/dbraw/zinc/71/54/02/631715402.db2.gz OHFOFGNOCAUTHO-RBUKOAKNSA-N 1 1 294.398 3.499 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](C[C@H](O)c2cccc3ccccc32)C1 ZINC000815091253 631715406 /nfs/dbraw/zinc/71/54/06/631715406.db2.gz OHFOFGNOCAUTHO-RBUKOAKNSA-N 1 1 294.398 3.499 20 30 CGEDMO C=CCC(C)(C)C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000815636960 631809765 /nfs/dbraw/zinc/80/97/65/631809765.db2.gz HAIPOJVXJKYWKX-GFCCVEGCSA-N 1 1 291.391 3.432 20 30 CGEDMO C=CCCC(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000816454705 631985649 /nfs/dbraw/zinc/98/56/49/631985649.db2.gz IEAYMDNXPJCSRE-DOTOQJQBSA-N 1 1 287.403 3.406 20 30 CGEDMO C#CCCCC(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000816454537 631986149 /nfs/dbraw/zinc/98/61/49/631986149.db2.gz GNVIZIJNRCABBZ-AEFFLSMTSA-N 1 1 299.414 3.244 20 30 CGEDMO C#CCCCC(=O)O[C@H]1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000816471857 631986874 /nfs/dbraw/zinc/98/68/74/631986874.db2.gz OPJJPLYMVWLUQY-AEFFLSMTSA-N 1 1 299.414 3.386 20 30 CGEDMO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H](CN)C2CC2)cc1 ZINC000817959492 632254394 /nfs/dbraw/zinc/25/43/94/632254394.db2.gz GQLYQNXMVQNJEY-MLGOLLRUSA-N 1 1 294.826 3.206 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)C[C@H]1CCC(F)(F)C1 ZINC000879432766 635786662 /nfs/dbraw/zinc/78/66/62/635786662.db2.gz OVQIIJNBHLCLQT-HNNXBMFYSA-N 1 1 278.346 3.468 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1cnc(Cl)s1 ZINC000879433841 635787117 /nfs/dbraw/zinc/78/71/17/635787117.db2.gz HEUXBLOUTBYNOG-UHFFFAOYSA-N 1 1 291.807 3.343 20 30 CGEDMO Cc1nc(C[N@@H+](C)CCc2cccc(C#N)c2)sc1C ZINC000879433395 635787500 /nfs/dbraw/zinc/78/75/00/635787500.db2.gz YMGGTEMZRRHJMU-UHFFFAOYSA-N 1 1 285.416 3.306 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000879961253 635888973 /nfs/dbraw/zinc/88/89/73/635888973.db2.gz CHLWGJKIPLRYDK-BBRMVZONSA-N 1 1 272.392 3.102 20 30 CGEDMO COc1cc(C)ccc1C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866283747 633064856 /nfs/dbraw/zinc/06/48/56/633064856.db2.gz AMMSWRQPEPUXQR-CYBMUJFWSA-N 1 1 296.370 3.432 20 30 CGEDMO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1cncc(F)c1 ZINC000866334783 633084039 /nfs/dbraw/zinc/08/40/39/633084039.db2.gz BZKRZMIBBUXYKN-QWRGUYRKSA-N 1 1 285.322 3.210 20 30 CGEDMO CCCCCCCCN1CC[NH+](C(C)(C)COC)CC1 ZINC000823456072 633108536 /nfs/dbraw/zinc/10/85/36/633108536.db2.gz OSXFRCZNNZLCLP-UHFFFAOYSA-N 1 1 284.488 3.390 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+](C)C[C@](C)(O)c1ccccc1 ZINC000823604985 633126328 /nfs/dbraw/zinc/12/63/28/633126328.db2.gz HLKVLVMFUYIDIS-IBGZPJMESA-N 1 1 294.398 3.206 20 30 CGEDMO C=C(Cl)C[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000823667676 633134795 /nfs/dbraw/zinc/13/47/95/633134795.db2.gz JTERLEUBALYQBM-ZDUSSCGKSA-N 1 1 255.789 3.020 20 30 CGEDMO CCCCCCC[NH2+]C(C)(C)c1nocc1C(=O)OC ZINC000823680223 633136037 /nfs/dbraw/zinc/13/60/37/633136037.db2.gz HZEYHMFNUVHGEF-UHFFFAOYSA-N 1 1 282.384 3.256 20 30 CGEDMO C#CCCCC[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1 ZINC000823989803 633178549 /nfs/dbraw/zinc/17/85/49/633178549.db2.gz FQLQIWOTDWWPQW-GOSISDBHSA-N 1 1 298.474 3.475 20 30 CGEDMO C[C@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)c1ccc(F)cc1O ZINC000866617287 633216465 /nfs/dbraw/zinc/21/64/65/633216465.db2.gz GSBRYBIJCYGOKE-ZBEGNZNMSA-N 1 1 296.345 3.221 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000876560918 634858224 /nfs/dbraw/zinc/85/82/24/634858224.db2.gz HYQAJALXZVZGIH-NSHDSACASA-N 1 1 251.761 3.107 20 30 CGEDMO C=C[C@@](C)(CCOC)C(=O)OCc1c(C)cc(C)[nH+]c1C ZINC000869479604 633451110 /nfs/dbraw/zinc/45/11/10/633451110.db2.gz VNZRBWWGDMFKGE-KRWDZBQOSA-N 1 1 291.391 3.279 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)cc1 ZINC000827370534 633485961 /nfs/dbraw/zinc/48/59/61/633485961.db2.gz GJQHEWQZQLDHIW-CVEARBPZSA-N 1 1 287.403 3.088 20 30 CGEDMO C[C@]1(C[N@@H+]2CCC[C@](C)(C#N)C2)CC1(Cl)Cl ZINC000828786019 633653014 /nfs/dbraw/zinc/65/30/14/633653014.db2.gz TURTUYDLDVFPEQ-GHMZBOCLSA-N 1 1 261.196 3.196 20 30 CGEDMO C[C@]1(C[N@H+]2CCC[C@](C)(C#N)C2)CC1(Cl)Cl ZINC000828786019 633653018 /nfs/dbraw/zinc/65/30/18/633653018.db2.gz TURTUYDLDVFPEQ-GHMZBOCLSA-N 1 1 261.196 3.196 20 30 CGEDMO C=CCCCC[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000829114222 633697264 /nfs/dbraw/zinc/69/72/64/633697264.db2.gz XJDYBQXLUZQWEV-UHFFFAOYSA-N 1 1 277.387 3.089 20 30 CGEDMO C#CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(C)c2)C1 ZINC000829773130 633781075 /nfs/dbraw/zinc/78/10/75/633781075.db2.gz BANFWEZTVOGGAG-HOTGVXAUSA-N 1 1 284.403 3.057 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000829784202 633782435 /nfs/dbraw/zinc/78/24/35/633782435.db2.gz HIJVDNQJDVUCGC-GFCCVEGCSA-N 1 1 292.766 3.484 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+]([C@H](C)c2cn(-c3ccccc3)nn2)C1 ZINC000829789409 633785357 /nfs/dbraw/zinc/78/53/57/633785357.db2.gz VGMQNQSETLDDHW-HZPDHXFCSA-N 1 1 294.402 3.064 20 30 CGEDMO C#CC[C@H]1CCC[N@H+]([C@@H](CCOC)c2ccccc2)C1 ZINC000829805261 633790310 /nfs/dbraw/zinc/79/03/10/633790310.db2.gz RQJCNILTCYJAHS-WMZOPIPTSA-N 1 1 271.404 3.500 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](CCCCC(=O)OC(C)(C)C)C1 ZINC000829809390 633792223 /nfs/dbraw/zinc/79/22/23/633792223.db2.gz ABRQVQRBCDBCPF-OAHLLOKOSA-N 1 1 279.424 3.234 20 30 CGEDMO Cc1ccc(C[N@@H+](C)CCCOc2ccc(C#N)cc2)nc1 ZINC000831053462 633913601 /nfs/dbraw/zinc/91/36/01/633913601.db2.gz HDSIBVRJVOQZJF-UHFFFAOYSA-N 1 1 295.386 3.163 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000871931248 633919577 /nfs/dbraw/zinc/91/95/77/633919577.db2.gz BAPNDPFTIVZJIK-SECBINFHSA-N 1 1 287.310 3.300 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000832278125 634041666 /nfs/dbraw/zinc/04/16/66/634041666.db2.gz PZMCMULVGBQZCU-XJKSGUPXSA-N 1 1 298.390 3.019 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000832278125 634041669 /nfs/dbraw/zinc/04/16/69/634041669.db2.gz PZMCMULVGBQZCU-XJKSGUPXSA-N 1 1 298.390 3.019 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000832298521 634043596 /nfs/dbraw/zinc/04/35/96/634043596.db2.gz OLBYJRGKRMHGOC-NWDGAFQWSA-N 1 1 267.335 3.202 20 30 CGEDMO C=C(Cl)C[C@H]([NH3+])c1nc([C@@H](C)C(C)(C)C)no1 ZINC000872175623 634078855 /nfs/dbraw/zinc/07/88/55/634078855.db2.gz NVCGVIRNQIVQRN-BDAKNGLRSA-N 1 1 257.765 3.362 20 30 CGEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2ccc(OC)c(C)c2)no1 ZINC000872175382 634079251 /nfs/dbraw/zinc/07/92/51/634079251.db2.gz PLFNUPHCJOEZFX-NSHDSACASA-N 1 1 293.754 3.196 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](OC3CCC3)CC2)o1 ZINC000872262164 634092932 /nfs/dbraw/zinc/09/29/32/634092932.db2.gz RNBJVEZAHJPJDE-AWEZNQCLSA-N 1 1 274.364 3.075 20 30 CGEDMO FC1(F)CC1=CNNc1[nH+]cc(Cl)cc1Cl ZINC000834926456 634289073 /nfs/dbraw/zinc/28/90/73/634289073.db2.gz NDKVRJHNWURHRQ-RXMQYKEDSA-N 1 1 266.078 3.441 20 30 CGEDMO Cc1cc(F)ccc1N[NH+]=C1CCCc2nc(N)ccc21 ZINC000834966904 634296563 /nfs/dbraw/zinc/29/65/63/634296563.db2.gz VFPLRTKMGWDOJX-UHFFFAOYSA-N 1 1 284.338 3.264 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@H](N2CCCC2)C1 ZINC000876619946 634869544 /nfs/dbraw/zinc/86/95/44/634869544.db2.gz HAHGQIPSAASQGN-KRWDZBQOSA-N 1 1 262.441 3.130 20 30 CGEDMO C#CCCCCCC[N@H+]1CCC[C@H](N2CCCC2)C1 ZINC000876619946 634869548 /nfs/dbraw/zinc/86/95/48/634869548.db2.gz HAHGQIPSAASQGN-KRWDZBQOSA-N 1 1 262.441 3.130 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1cc(OC)cnc1F ZINC000877168761 635006030 /nfs/dbraw/zinc/00/60/30/635006030.db2.gz SIMFDKCOXZUZNX-UHFFFAOYSA-N 1 1 290.338 3.053 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cc(OC)cnc1F ZINC000877168761 635006036 /nfs/dbraw/zinc/00/60/36/635006036.db2.gz SIMFDKCOXZUZNX-UHFFFAOYSA-N 1 1 290.338 3.053 20 30 CGEDMO Cc1cc([NH+](C)C)cc(C)c1NCc1cccc(C#N)n1 ZINC000877350632 635029655 /nfs/dbraw/zinc/02/96/55/635029655.db2.gz NXBLWAPUXBCMLG-UHFFFAOYSA-N 1 1 280.375 3.248 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCSC[C@@H]1c1cnn(C)c1 ZINC000877472899 635050163 /nfs/dbraw/zinc/05/01/63/635050163.db2.gz GANVJHKFCVAQLC-MRXNPFEDSA-N 1 1 291.464 3.094 20 30 CGEDMO C[C@@]12CC[N@@H+](Cc3cc(C#N)cnc3Cl)C[C@@H]1C2(F)F ZINC000877543972 635082166 /nfs/dbraw/zinc/08/21/66/635082166.db2.gz OBPSVECFPAVUFS-WCQYABFASA-N 1 1 297.736 3.084 20 30 CGEDMO C#CCCCCCC[NH+]1CCN(C(C)(C)CC)CC1 ZINC000877618574 635115461 /nfs/dbraw/zinc/11/54/61/635115461.db2.gz ZOJGWSMYTWWCBL-UHFFFAOYSA-N 1 1 264.457 3.376 20 30 CGEDMO CCOc1cccc(F)c1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000877622334 635117779 /nfs/dbraw/zinc/11/77/79/635117779.db2.gz LAGFCBVKHZAODF-CYBMUJFWSA-N 1 1 276.355 3.350 20 30 CGEDMO CCOc1cccc(F)c1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000877622334 635117782 /nfs/dbraw/zinc/11/77/82/635117782.db2.gz LAGFCBVKHZAODF-CYBMUJFWSA-N 1 1 276.355 3.350 20 30 CGEDMO CC(C)([NH2+]Cc1ccc(Cl)nn1)c1cccc(C#N)c1 ZINC000877623100 635118098 /nfs/dbraw/zinc/11/80/98/635118098.db2.gz INUXVJRTKGPVNN-UHFFFAOYSA-N 1 1 286.766 3.027 20 30 CGEDMO CC(C)n1cncc1C[N@@H+](C)CCc1cccc(C#N)c1 ZINC000877705290 635157572 /nfs/dbraw/zinc/15/75/72/635157572.db2.gz YURALACCGWKTQH-UHFFFAOYSA-N 1 1 282.391 3.010 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@H+](C)[C@H](C)C(C)C)c1ccccc1 ZINC000877928801 635275245 /nfs/dbraw/zinc/27/52/45/635275245.db2.gz JIGQGBNEMINROC-CRAIPNDOSA-N 1 1 286.419 3.403 20 30 CGEDMO C[N@@H+](C[C@H](O)c1cccc(C#N)c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000842151960 635297281 /nfs/dbraw/zinc/29/72/81/635297281.db2.gz DWQZVWXRHVASRT-OTWHNJEPSA-N 1 1 292.382 3.080 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@H]1Cc1cc(F)ccc1F ZINC000842160073 635299780 /nfs/dbraw/zinc/29/97/80/635299780.db2.gz GAMRDPLJXFLIPK-HNNXBMFYSA-N 1 1 263.331 3.385 20 30 CGEDMO CN(C)c1ccc(C[N@@H+](CC2(CC#N)CC2)C2CC2)cc1 ZINC000877976099 635301669 /nfs/dbraw/zinc/30/16/69/635301669.db2.gz FWWSDUYIRPVXTF-UHFFFAOYSA-N 1 1 283.419 3.411 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000878021832 635323496 /nfs/dbraw/zinc/32/34/96/635323496.db2.gz REQUEIWXDWWZPC-KGLIPLIRSA-N 1 1 282.428 3.188 20 30 CGEDMO C#CCCCCC[N@H+](C)[C@H](CCO)c1ccccc1 ZINC000878138913 635375229 /nfs/dbraw/zinc/37/52/29/635375229.db2.gz JFHNRPXCHLCYFR-QGZVFWFLSA-N 1 1 259.393 3.236 20 30 CGEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1CC[C@H](C(C)C)C1)c1ccccc1 ZINC000878182756 635398371 /nfs/dbraw/zinc/39/83/71/635398371.db2.gz SYXUHUSKOUPPJL-HKUYNNGSSA-N 1 1 298.430 3.405 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cn2cnc3cc(F)c(F)cc32)C1 ZINC000842630050 635420511 /nfs/dbraw/zinc/42/05/11/635420511.db2.gz WGYTWPBMQNTKGC-GFCCVEGCSA-N 1 1 289.329 3.007 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)CC[C@H]2CCCC2(F)F)n1 ZINC000878528004 635543714 /nfs/dbraw/zinc/54/37/14/635543714.db2.gz MSFCFCVYNSTBGV-CQSZACIVSA-N 1 1 295.377 3.164 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)o1 ZINC000878544919 635550637 /nfs/dbraw/zinc/55/06/37/635550637.db2.gz BLFNYODSAOXPHO-BRWVUGGUSA-N 1 1 288.391 3.057 20 30 CGEDMO C[C@]12CC[N@@H+](CC3(CC#N)CC3)C[C@H]1C2(Cl)Cl ZINC000878570823 635559427 /nfs/dbraw/zinc/55/94/27/635559427.db2.gz GVTAGIQSQCWILU-MNOVXSKESA-N 1 1 273.207 3.196 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)cc1 ZINC000843417951 635663224 /nfs/dbraw/zinc/66/32/24/635663224.db2.gz XOZCSUVAYMOGAO-MSOLQXFVSA-N 1 1 269.388 3.059 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2nn(CC)c3ccccc23)C1 ZINC000843422302 635666239 /nfs/dbraw/zinc/66/62/39/635666239.db2.gz DTRMUXMLTQKCTK-HNNXBMFYSA-N 1 1 281.403 3.292 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2cc3cccnc3o2)C1 ZINC000843423305 635666409 /nfs/dbraw/zinc/66/64/09/635666409.db2.gz LPOMOQUUIUUSPV-CYBMUJFWSA-N 1 1 254.333 3.063 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000843424308 635668256 /nfs/dbraw/zinc/66/82/56/635668256.db2.gz RBKNPJDUCFTVIW-OAHLLOKOSA-N 1 1 297.377 3.247 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000843424712 635670060 /nfs/dbraw/zinc/67/00/60/635670060.db2.gz ZYIIDTQPIDVMTA-HNNXBMFYSA-N 1 1 267.372 3.198 20 30 CGEDMO C[N@@H+](CC[C@@H]1CCCC1(F)F)[C@@H]1CCC[C@@H]1C#N ZINC000879309500 635752066 /nfs/dbraw/zinc/75/20/66/635752066.db2.gz NUSWLOSIBOWSID-FRRDWIJNSA-N 1 1 256.340 3.436 20 30 CGEDMO CO[C@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000879323641 635757681 /nfs/dbraw/zinc/75/76/81/635757681.db2.gz SNFRWHBZOKTIKG-ZBFHGGJFSA-N 1 1 286.419 3.487 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000879427556 635785608 /nfs/dbraw/zinc/78/56/08/635785608.db2.gz GLCKITGJSCVMNL-CABCVRRESA-N 1 1 292.467 3.358 20 30 CGEDMO CC[C@@H]([NH2+]CC1(C#N)CC1)c1cccc(OC)c1OC ZINC000879466130 635792963 /nfs/dbraw/zinc/79/29/63/635792963.db2.gz NMKZCRGBLFIVHM-CYBMUJFWSA-N 1 1 274.364 3.048 20 30 CGEDMO Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC(C)(C)C#N)no1 ZINC000879682419 635834692 /nfs/dbraw/zinc/83/46/92/635834692.db2.gz FGSATTACLCUHIU-AGUYFDCRSA-N 1 1 288.395 3.028 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(c2ccc(OC)cn2)CC1 ZINC000844351790 635877627 /nfs/dbraw/zinc/87/76/27/635877627.db2.gz QTYCZJJHDGXTGW-UHFFFAOYSA-N 1 1 266.772 3.022 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000844373088 635884167 /nfs/dbraw/zinc/88/41/67/635884167.db2.gz CLTRHLVWLREISU-MRXNPFEDSA-N 1 1 277.795 3.037 20 30 CGEDMO CC(C)(O)[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000879963170 635890088 /nfs/dbraw/zinc/89/00/88/635890088.db2.gz YFMZAFXCAKRRLX-OAHLLOKOSA-N 1 1 291.822 3.174 20 30 CGEDMO Cc1csc([C@H]2CC[N@@H+](CCC(C)(C)C#N)C2)n1 ZINC000880010089 635898755 /nfs/dbraw/zinc/89/87/55/635898755.db2.gz UGZZFUOQAFKZOI-LBPRGKRZSA-N 1 1 263.410 3.181 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c1F ZINC000844441456 635903462 /nfs/dbraw/zinc/90/34/62/635903462.db2.gz NBZDGKXXNUTVCO-CQSZACIVSA-N 1 1 280.293 3.319 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)c1F ZINC000844441456 635903466 /nfs/dbraw/zinc/90/34/66/635903466.db2.gz NBZDGKXXNUTVCO-CQSZACIVSA-N 1 1 280.293 3.319 20 30 CGEDMO CN1CCC[C@H]2[C@@H]1CC[N@H+]2CCC1(C#N)CCCCC1 ZINC000880142620 635923677 /nfs/dbraw/zinc/92/36/77/635923677.db2.gz RFLJBFKTPRKDKA-HOTGVXAUSA-N 1 1 275.440 3.019 20 30 CGEDMO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2CCC1(C#N)CCCCC1 ZINC000880142620 635923679 /nfs/dbraw/zinc/92/36/79/635923679.db2.gz RFLJBFKTPRKDKA-HOTGVXAUSA-N 1 1 275.440 3.019 20 30 CGEDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2CCC1(C#N)CCCCC1 ZINC000880142620 635923684 /nfs/dbraw/zinc/92/36/84/635923684.db2.gz RFLJBFKTPRKDKA-HOTGVXAUSA-N 1 1 275.440 3.019 20 30 CGEDMO C=C(C)CON=C(C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000844618504 635942957 /nfs/dbraw/zinc/94/29/57/635942957.db2.gz CUONQVKDKKSXBA-UHFFFAOYSA-N 1 1 269.348 3.497 20 30 CGEDMO C[C@@H](c1ccccc1)[NH+]1CCN(CCCCC#N)CC1 ZINC000880247621 635955946 /nfs/dbraw/zinc/95/59/46/635955946.db2.gz JQGRZGCVURKNAP-INIZCTEOSA-N 1 1 271.408 3.059 20 30 CGEDMO CO[C@@]1(C(F)(F)F)CC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000880302617 635970834 /nfs/dbraw/zinc/97/08/34/635970834.db2.gz JGHWKJWSXKFYIH-FZMZJTMJSA-N 1 1 298.308 3.272 20 30 CGEDMO CC[N@H+](Cc1cccc(C#N)c1F)[C@H](CO)c1ccccc1 ZINC000880461313 636005062 /nfs/dbraw/zinc/00/50/62/636005062.db2.gz FMJZXGGXMDYTPZ-QGZVFWFLSA-N 1 1 298.361 3.253 20 30 CGEDMO CC[N@@H+](Cc1cccc(C#N)c1F)[C@H](CO)c1ccccc1 ZINC000880461313 636005066 /nfs/dbraw/zinc/00/50/66/636005066.db2.gz FMJZXGGXMDYTPZ-QGZVFWFLSA-N 1 1 298.361 3.253 20 30 CGEDMO C=C(C)CC[C@@H](C)OC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000845867209 636111067 /nfs/dbraw/zinc/11/10/67/636111067.db2.gz RMJXDBDSUFMBRS-CYBMUJFWSA-N 1 1 285.347 3.169 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(OC)cc2F)C1 ZINC000845987802 636127067 /nfs/dbraw/zinc/12/70/67/636127067.db2.gz MFQSLBLBPGSAEA-CYBMUJFWSA-N 1 1 261.340 3.070 20 30 CGEDMO C#CC[N@H+](Cc1cnc(Cl)c(F)c1)C1CCCC1 ZINC000846815678 636249625 /nfs/dbraw/zinc/24/96/25/636249625.db2.gz REKQTMLWZQIIDP-UHFFFAOYSA-N 1 1 266.747 3.252 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1cc(C(C)C)ccc1OC)[C@@H]1CCCO1 ZINC000846862650 636265035 /nfs/dbraw/zinc/26/50/35/636265035.db2.gz WMVHBTBCWLYBBI-AEFFLSMTSA-N 1 1 287.403 3.089 20 30 CGEDMO C#C[C@H]1CCC[N@H+](C[C@H](OC(C)C)c2ccccc2)C1 ZINC000847019387 636312756 /nfs/dbraw/zinc/31/27/56/636312756.db2.gz POUACTIANYRPKI-WMZOPIPTSA-N 1 1 271.404 3.498 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000847020817 636313158 /nfs/dbraw/zinc/31/31/58/636313158.db2.gz DRMHNCUNDARWLR-LLVKDONJSA-N 1 1 278.739 3.093 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000847020817 636313159 /nfs/dbraw/zinc/31/31/59/636313159.db2.gz DRMHNCUNDARWLR-LLVKDONJSA-N 1 1 278.739 3.093 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cncc3ccccc32)C1 ZINC000847021935 636313469 /nfs/dbraw/zinc/31/34/69/636313469.db2.gz QVALYTDBTGOHSL-AWEZNQCLSA-N 1 1 250.345 3.080 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(CC)cc3)no2)C1 ZINC000847024975 636315223 /nfs/dbraw/zinc/31/52/23/636315223.db2.gz AWHOOODKNRPERD-HNNXBMFYSA-N 1 1 295.386 3.144 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2nc(-c3ccc(CC)cc3)no2)C1 ZINC000847024975 636315225 /nfs/dbraw/zinc/31/52/25/636315225.db2.gz AWHOOODKNRPERD-HNNXBMFYSA-N 1 1 295.386 3.144 20 30 CGEDMO C#C[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000847023189 636315859 /nfs/dbraw/zinc/31/58/59/636315859.db2.gz ZMQSJBKNXIAQPO-AWEZNQCLSA-N 1 1 257.764 3.037 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000847026508 636316858 /nfs/dbraw/zinc/31/68/58/636316858.db2.gz FJWBDKSPVWWOHZ-STQMWFEESA-N 1 1 258.321 3.001 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2coc(-c3cccs3)n2)C1 ZINC000847026522 636317746 /nfs/dbraw/zinc/31/77/46/636317746.db2.gz FKVBSCGSBVFHQI-LBPRGKRZSA-N 1 1 272.373 3.248 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2coc(-c3cccs3)n2)C1 ZINC000847026522 636317747 /nfs/dbraw/zinc/31/77/47/636317747.db2.gz FKVBSCGSBVFHQI-LBPRGKRZSA-N 1 1 272.373 3.248 20 30 CGEDMO NC(CCc1ccccc1)=[NH+]OCc1ccc(Cl)nc1 ZINC000131309745 636617301 /nfs/dbraw/zinc/61/73/01/636617301.db2.gz QTRQORKFHYAOMV-UHFFFAOYSA-N 1 1 289.766 3.157 20 30 CGEDMO Cc1ccsc1-c1noc([C@@H]([NH3+])CCCCC#N)n1 ZINC000848631403 636624199 /nfs/dbraw/zinc/62/41/99/636624199.db2.gz FYQMQFUPILKNQJ-JTQLQIEISA-N 1 1 276.365 3.190 20 30 CGEDMO N#CCCCC[C@@H]([NH3+])c1nc(-c2ccc3c(c2)CCC3)no1 ZINC000848632375 636625290 /nfs/dbraw/zinc/62/52/90/636625290.db2.gz QXXSHDFQOIQMGJ-OAHLLOKOSA-N 1 1 296.374 3.309 20 30 CGEDMO N#CCCCC[C@H]([NH3+])c1nc(-c2ccc3c(c2)CCC3)no1 ZINC000848632374 636625408 /nfs/dbraw/zinc/62/54/08/636625408.db2.gz QXXSHDFQOIQMGJ-HNNXBMFYSA-N 1 1 296.374 3.309 20 30 CGEDMO C=CCC[C@H](C)[NH2+][C@@H](C)C(=O)OCc1ccccc1 ZINC000848921791 636692705 /nfs/dbraw/zinc/69/27/05/636692705.db2.gz XCSMGMKCMPBHIN-KBPBESRZSA-N 1 1 261.365 3.063 20 30 CGEDMO C=CCC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000132410782 636806757 /nfs/dbraw/zinc/80/67/57/636806757.db2.gz VHLLTUYXDPDVKY-UHFFFAOYSA-N 1 1 254.717 3.256 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000132410782 636806759 /nfs/dbraw/zinc/80/67/59/636806759.db2.gz VHLLTUYXDPDVKY-UHFFFAOYSA-N 1 1 254.717 3.256 20 30 CGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CC[C@H]2c2ccc(F)cc2)cc1 ZINC000849326024 636811010 /nfs/dbraw/zinc/81/10/10/636811010.db2.gz ARGLOZJYQQMTCI-ZWKOTPCHSA-N 1 1 296.345 3.178 20 30 CGEDMO CC(C)CC[C@H]1CCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000135309042 637110715 /nfs/dbraw/zinc/11/07/15/637110715.db2.gz MSFBWTBWVQEPLW-MSOLQXFVSA-N 1 1 286.419 3.492 20 30 CGEDMO CCCCCCC[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000135536312 637141784 /nfs/dbraw/zinc/14/17/84/637141784.db2.gz ULHWDVADEHLEDA-KBPBESRZSA-N 1 1 257.443 3.163 20 30 CGEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@H]2c2cccs2)CCC1 ZINC000885931192 637317033 /nfs/dbraw/zinc/31/70/33/637317033.db2.gz QBQFGRYBEYOZKN-KBPBESRZSA-N 1 1 290.432 3.330 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H]1C[C@@]12CCOC2 ZINC000885963734 637335307 /nfs/dbraw/zinc/33/53/07/637335307.db2.gz PXWCDHBKDSLKSC-FUHWJXTLSA-N 1 1 287.403 3.110 20 30 CGEDMO CC[C@H](C)[C@H]1CCCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886017012 637365873 /nfs/dbraw/zinc/36/58/73/637365873.db2.gz QGPKLHSTBRYZOB-ARFHVFGLSA-N 1 1 278.440 3.332 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)C[C@H](O)CC1(C#N)CCC1 ZINC000886030721 637374739 /nfs/dbraw/zinc/37/47/39/637374739.db2.gz SMDINLSVWTTXRP-MRXNPFEDSA-N 1 1 291.439 3.083 20 30 CGEDMO CC[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886285179 637484394 /nfs/dbraw/zinc/48/43/94/637484394.db2.gz AEZKJBHTEKOEJT-ZNMIVQPWSA-N 1 1 264.413 3.084 20 30 CGEDMO C[C@]1(c2ccccc2)CCC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886318193 637498087 /nfs/dbraw/zinc/49/80/87/637498087.db2.gz MDTOWBGWJBZBGM-ZWKOTPCHSA-N 1 1 298.430 3.442 20 30 CGEDMO C#CCOCC[N@@H+]1CCCCC[C@H]1c1ccc(C)o1 ZINC000851778651 637499210 /nfs/dbraw/zinc/49/92/10/637499210.db2.gz LKOKWRHVHXOZET-HNNXBMFYSA-N 1 1 261.365 3.155 20 30 CGEDMO C#CC[C@H]1CC[N@H+](CCCC(=O)Nc2c(C)cccc2C)C1 ZINC000886353161 637508866 /nfs/dbraw/zinc/50/88/66/637508866.db2.gz CRQQHERRCXIINI-KRWDZBQOSA-N 1 1 298.430 3.367 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000886353654 637509706 /nfs/dbraw/zinc/50/97/06/637509706.db2.gz MYHHEVKGRGHACV-CYBMUJFWSA-N 1 1 284.334 3.326 20 30 CGEDMO C#CC[C@@H]1CC[N@H+]([C@H](C)c2nc(-c3cccs3)no2)C1 ZINC000886356323 637511042 /nfs/dbraw/zinc/51/10/42/637511042.db2.gz XZIIEXDISFFMFH-VXGBXAGGSA-N 1 1 287.388 3.204 20 30 CGEDMO C#CC[C@@H]1CC[N@H+]([C@@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC000886358129 637512542 /nfs/dbraw/zinc/51/25/42/637512542.db2.gz PSRNSCBDKZWXIX-QWHCGFSZSA-N 1 1 260.381 3.378 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2nc(-c3ccc(F)c(C)c3)no2)C1 ZINC000886360476 637513112 /nfs/dbraw/zinc/51/31/12/637513112.db2.gz WRNOTGGCVOJTNG-ZDUSSCGKSA-N 1 1 299.349 3.029 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000886367143 637515833 /nfs/dbraw/zinc/51/58/33/637515833.db2.gz LUFCFKIBPGPVMY-NJAFHUGGSA-N 1 1 269.388 3.252 20 30 CGEDMO CC(C)=CCC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000851880807 637529255 /nfs/dbraw/zinc/52/92/55/637529255.db2.gz CYTPNEPFNXUWGT-KRWDZBQOSA-N 1 1 270.376 3.288 20 30 CGEDMO CC(C)=CCC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000851880807 637529263 /nfs/dbraw/zinc/52/92/63/637529263.db2.gz CYTPNEPFNXUWGT-KRWDZBQOSA-N 1 1 270.376 3.288 20 30 CGEDMO Cc1ccc(C[N@H+](C)[C@@H](CO)c2ccccc2C)cc1C#N ZINC000886444554 637532493 /nfs/dbraw/zinc/53/24/93/637532493.db2.gz BNQHRRJAPWSVNY-IBGZPJMESA-N 1 1 294.398 3.341 20 30 CGEDMO C#CCOCC[N@@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000851940067 637555217 /nfs/dbraw/zinc/55/52/17/637555217.db2.gz MOUJQCDAUGYOBH-AWEZNQCLSA-N 1 1 297.320 3.145 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@H](O)c1ccccn1 ZINC000851997442 637567490 /nfs/dbraw/zinc/56/74/90/637567490.db2.gz KORILGODJKJYLT-SFHVURJKSA-N 1 1 282.387 3.193 20 30 CGEDMO C=C(C)CC[N@H+](C)CC(C)(C)NC(=O)OC(C)(C)C ZINC000852307048 637631326 /nfs/dbraw/zinc/63/13/26/637631326.db2.gz POMTXTUASWTLEA-UHFFFAOYSA-N 1 1 270.417 3.188 20 30 CGEDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000852320087 637635210 /nfs/dbraw/zinc/63/52/10/637635210.db2.gz VVEJFWSGCUIHJQ-HNNXBMFYSA-N 1 1 271.408 3.268 20 30 CGEDMO Cc1csc(C[C@@H]2CCC[N@H+]([C@@H](C)CCC#N)C2)n1 ZINC000886691567 637656129 /nfs/dbraw/zinc/65/61/29/637656129.db2.gz HGELXPZNZLVGLE-KBPBESRZSA-N 1 1 277.437 3.398 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)c1c(F)cccc1F ZINC000852686437 637695083 /nfs/dbraw/zinc/69/50/83/637695083.db2.gz VIFHYZKOZCVWRI-ZOWXZIJZSA-N 1 1 279.330 3.181 20 30 CGEDMO C#CCC[N@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC000852688812 637697004 /nfs/dbraw/zinc/69/70/04/637697004.db2.gz KXXJENCIPRCLKA-CYBMUJFWSA-N 1 1 264.166 3.219 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H]1c1ccc(Br)cc1 ZINC000852688812 637697007 /nfs/dbraw/zinc/69/70/07/637697007.db2.gz KXXJENCIPRCLKA-CYBMUJFWSA-N 1 1 264.166 3.219 20 30 CGEDMO CCCCCCCCCN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000852708088 637698053 /nfs/dbraw/zinc/69/80/53/637698053.db2.gz QHGWOMCOQIMKCN-GOSISDBHSA-N 1 1 296.499 3.268 20 30 CGEDMO CCCCCCCCCN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000852708088 637698059 /nfs/dbraw/zinc/69/80/59/637698059.db2.gz QHGWOMCOQIMKCN-GOSISDBHSA-N 1 1 296.499 3.268 20 30 CGEDMO CCCCCCCCC[NH+]1CCC(N2CC[C@@H](O)C2)CC1 ZINC000852708088 637698061 /nfs/dbraw/zinc/69/80/61/637698061.db2.gz QHGWOMCOQIMKCN-GOSISDBHSA-N 1 1 296.499 3.268 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)cc1 ZINC000886822702 637708481 /nfs/dbraw/zinc/70/84/81/637708481.db2.gz UEWRUXGZWGGGKF-SJLPKXTDSA-N 1 1 298.430 3.489 20 30 CGEDMO Fc1cc(Cl)cc(N=NC2CC[N@H+]3CCC[C@@H]23)c1 ZINC000853396094 637835011 /nfs/dbraw/zinc/83/50/11/637835011.db2.gz VIBGOQFXEQKGBP-ZDUSSCGKSA-N 1 1 267.735 3.115 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](CN2C(=O)C[C@@H]2c2ccccc2)C1 ZINC000853537101 637863819 /nfs/dbraw/zinc/86/38/19/637863819.db2.gz PBGPMGABRVBYQH-NVXWUHKLSA-N 1 1 284.403 3.206 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)cc(OC)c1O ZINC000853599065 637871575 /nfs/dbraw/zinc/87/15/75/637871575.db2.gz JYFUQFVUGVTAOG-GASCZTMLSA-N 1 1 273.376 3.392 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1cnc2cc(F)c(F)cc21 ZINC000853598200 637871824 /nfs/dbraw/zinc/87/18/24/637871824.db2.gz OFNKROUUFNHZJY-TXEJJXNPSA-N 1 1 289.329 3.455 20 30 CGEDMO CC(C)c1ccc(C=NOCCc2c[nH+]cn2C)cc1 ZINC000853644461 637880010 /nfs/dbraw/zinc/88/00/10/637880010.db2.gz NIUJJJNLBSZCJH-UHFFFAOYSA-N 1 1 271.364 3.137 20 30 CGEDMO C=CC[N@@H+](CCS(=O)(=O)C1CCCCC1)C(C)(C)C ZINC000856761151 638380425 /nfs/dbraw/zinc/38/04/25/638380425.db2.gz TUGPOHBCLRONEF-UHFFFAOYSA-N 1 1 287.469 3.020 20 30 CGEDMO C=CC[N@H+](CCS(=O)(=O)C1CCCCC1)C(C)(C)C ZINC000856761151 638380428 /nfs/dbraw/zinc/38/04/28/638380428.db2.gz TUGPOHBCLRONEF-UHFFFAOYSA-N 1 1 287.469 3.020 20 30 CGEDMO C=CCCCCC[C@@H](C)[NH2+]C[C@@H]1CNCCC1(F)F ZINC000925774492 638606088 /nfs/dbraw/zinc/60/60/88/638606088.db2.gz ATEAPGVPMKTGOH-KGLIPLIRSA-N 1 1 274.399 3.346 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858024211 638619764 /nfs/dbraw/zinc/61/97/64/638619764.db2.gz VSJXWEQEZPAZCY-RHSMWYFYSA-N 1 1 299.418 3.494 20 30 CGEDMO N#CCCCC[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858046173 638621172 /nfs/dbraw/zinc/62/11/72/638621172.db2.gz IPYYIXOKCWTKCB-MRXNPFEDSA-N 1 1 285.391 3.106 20 30 CGEDMO CCCCCCCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000858111103 638631421 /nfs/dbraw/zinc/63/14/21/638631421.db2.gz STRRPFWSZMCPSJ-MQVJKMGUSA-N 1 1 295.471 3.271 20 30 CGEDMO COc1ccc(C[NH2+][C@@H]2CCCc3scnc32)cc1C#N ZINC000858383937 638700134 /nfs/dbraw/zinc/70/01/34/638700134.db2.gz ZCVIQPSGDSCOKR-CYBMUJFWSA-N 1 1 299.399 3.191 20 30 CGEDMO Cc1cc([C@H]2CCC[N@H+]2CC2CCC(C#N)CC2)no1 ZINC000929184458 638906557 /nfs/dbraw/zinc/90/65/57/638906557.db2.gz ACJHLKCIWZLOGW-ZBCRRDGASA-N 1 1 273.380 3.450 20 30 CGEDMO C[C@@H]1c2cccn2CC[N@@H+]1CC1CCC(C#N)CC1 ZINC000929190682 638906829 /nfs/dbraw/zinc/90/68/29/638906829.db2.gz ISKJZKDYDNMPCO-WLYUNCDWSA-N 1 1 257.381 3.195 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000929266117 638913801 /nfs/dbraw/zinc/91/38/01/638913801.db2.gz IEJVUVHXNQSNNG-HNNXBMFYSA-N 1 1 284.403 3.176 20 30 CGEDMO Cc1ccccc1[C@H](C)[N@@H+](C)Cc1cncc(C#N)c1 ZINC000929325736 638918737 /nfs/dbraw/zinc/91/87/37/638918737.db2.gz KXWMLMLPXGDUIH-AWEZNQCLSA-N 1 1 265.360 3.455 20 30 CGEDMO COc1ccc(CCC[N@@H+](C)Cc2cncc(C#N)c2)cc1 ZINC000929326841 638918890 /nfs/dbraw/zinc/91/88/90/638918890.db2.gz BENDPZBQOOEPBM-UHFFFAOYSA-N 1 1 295.386 3.026 20 30 CGEDMO N#Cc1ccc(C[N@@H+](CCc2ccns2)C2CC2)cc1 ZINC000929366605 638921350 /nfs/dbraw/zinc/92/13/50/638921350.db2.gz BYUZIGJUMNLPAJ-UHFFFAOYSA-N 1 1 283.400 3.222 20 30 CGEDMO CC[C@@H](C)[C@@H](C)[N@@H+](Cc1cncc(C#N)c1)C1CC1 ZINC000929528134 638930835 /nfs/dbraw/zinc/93/08/35/638930835.db2.gz ABVZTTTVBMOQLC-CHWSQXEVSA-N 1 1 257.381 3.352 20 30 CGEDMO Cc1ncsc1C[N@@H+](C)CC1CCC(C#N)CC1 ZINC000929606122 638934306 /nfs/dbraw/zinc/93/43/06/638934306.db2.gz KMBCEKWJRRYAOR-UHFFFAOYSA-N 1 1 263.410 3.213 20 30 CGEDMO CC[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)C[C@@H](C)O1 ZINC000929618467 638935074 /nfs/dbraw/zinc/93/50/74/638935074.db2.gz AHVTWEIMBPPRLA-HUUCEWRRSA-N 1 1 264.413 3.350 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCC[C@]3(CC=CCC3)C2)c1 ZINC000929649197 638937448 /nfs/dbraw/zinc/93/74/48/638937448.db2.gz WLFXEHKEQKHNNO-QGZVFWFLSA-N 1 1 267.376 3.276 20 30 CGEDMO CCO[C@@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000929680887 638940415 /nfs/dbraw/zinc/94/04/15/638940415.db2.gz YRECZNCTDHDBKI-OAHLLOKOSA-N 1 1 264.413 3.351 20 30 CGEDMO CC[C@@H](C)[C@H]1CCCC[N@H+]1Cc1cncc(C#N)c1 ZINC000929693828 638941970 /nfs/dbraw/zinc/94/19/70/638941970.db2.gz SKRPYZIAYFETFX-CZUORRHYSA-N 1 1 257.381 3.354 20 30 CGEDMO C[C@@H](O)C[N@H+](Cc1ccccc1)CC1CCC(C#N)CC1 ZINC000929702252 638943017 /nfs/dbraw/zinc/94/30/17/638943017.db2.gz OGPUWRFEBNAXTE-KLHKWILBSA-N 1 1 286.419 3.199 20 30 CGEDMO CCC[NH+]1CCC(N(C)Cc2c(C)cc(C#N)cc2C)CC1 ZINC000929777012 638949588 /nfs/dbraw/zinc/94/95/88/638949588.db2.gz FKNPTUZHVXHMMY-UHFFFAOYSA-N 1 1 299.462 3.481 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)CCCc1cccnc1 ZINC000929779045 638950379 /nfs/dbraw/zinc/95/03/79/638950379.db2.gz KGNLDORXOLADGX-UHFFFAOYSA-N 1 1 259.397 3.276 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCOC3(CCCC3)C2)CCC1 ZINC000929848709 638957073 /nfs/dbraw/zinc/95/70/73/638957073.db2.gz TZQGRLYZUKNPKB-UHFFFAOYSA-N 1 1 276.424 3.496 20 30 CGEDMO CCCCC[C@@H]1CCC[N@H+]1Cc1cncc(C#N)c1 ZINC000929854115 638957360 /nfs/dbraw/zinc/95/73/60/638957360.db2.gz KSTVSHPAXPNDJE-MRXNPFEDSA-N 1 1 257.381 3.498 20 30 CGEDMO Cc1nc(C(C)(C)[NH2+]CCCCC2(C#N)CCC2)no1 ZINC000929969354 638965022 /nfs/dbraw/zinc/96/50/22/638965022.db2.gz UZJUZWHLLYGOBO-UHFFFAOYSA-N 1 1 276.384 3.067 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+](C)[C@@H](CO)C(C)(C)C ZINC000930056637 638971491 /nfs/dbraw/zinc/97/14/91/638971491.db2.gz BYGPMNCWVBKAHS-INIZCTEOSA-N 1 1 274.408 3.014 20 30 CGEDMO N#CC1CCC(C[N@@H+]2CCC=C(Br)C2)CC1 ZINC000930319815 638990459 /nfs/dbraw/zinc/99/04/59/638990459.db2.gz CGFWOSOZHUURRN-UHFFFAOYSA-N 1 1 283.213 3.301 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCOC[C@@H](C3CCC3)C2)CC1 ZINC000930556575 639023920 /nfs/dbraw/zinc/02/39/20/639023920.db2.gz XXYVQMJFFUGXFM-DQPZFDDXSA-N 1 1 276.424 3.065 20 30 CGEDMO COC[C@]1(C)CC[N@@H+](Cc2c(C)cc(C#N)cc2C)C1 ZINC000930603055 639035251 /nfs/dbraw/zinc/03/52/51/639035251.db2.gz HPRSFIXSEPBRLV-QGZVFWFLSA-N 1 1 272.392 3.034 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](C1CC1)C1(CO)CCC1 ZINC000930692782 639053107 /nfs/dbraw/zinc/05/31/07/639053107.db2.gz VVGREBMETUJWJR-UHFFFAOYSA-N 1 1 284.403 3.055 20 30 CGEDMO N#CC1CCC(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)CC1 ZINC000930715353 639058192 /nfs/dbraw/zinc/05/81/92/639058192.db2.gz PZPSUWBVHOKHRC-RLNQZENFSA-N 1 1 284.403 3.124 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@H](C)c2snnc2C)C1 ZINC000930963758 639091776 /nfs/dbraw/zinc/09/17/76/639091776.db2.gz XOLLDWJDEHYUSX-NEPJUHHUSA-N 1 1 251.399 3.196 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCC[C@@H]2c2ncccn2)CCC1 ZINC000931055596 639103731 /nfs/dbraw/zinc/10/37/31/639103731.db2.gz YDPVOGLOGQEYIJ-OAHLLOKOSA-N 1 1 284.407 3.478 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](CCC(=O)OCc2ccccc2)C1 ZINC000859446152 639142652 /nfs/dbraw/zinc/14/26/52/639142652.db2.gz VJAQZSBHXZXGCN-OAHLLOKOSA-N 1 1 273.376 3.018 20 30 CGEDMO CC(C)(O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000931613542 639179715 /nfs/dbraw/zinc/17/97/15/639179715.db2.gz YYAAJRRRLQXLIQ-CQSZACIVSA-N 1 1 292.810 3.195 20 30 CGEDMO CC1(C)[C@@H](c2cccc(Cl)c2)CC[N@H+]1C[C@H](O)CC#N ZINC000931619433 639180616 /nfs/dbraw/zinc/18/06/16/639180616.db2.gz YCIOHVOVGJSKGC-HUUCEWRRSA-N 1 1 292.810 3.182 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931913927 639229681 /nfs/dbraw/zinc/22/96/81/639229681.db2.gz QLMPVLITSRVTLA-VHSXEESVSA-N 1 1 264.266 3.045 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)cc1 ZINC000931932116 639235920 /nfs/dbraw/zinc/23/59/20/639235920.db2.gz QJFWDKPDSIZLED-MOPGFXCFSA-N 1 1 274.367 3.332 20 30 CGEDMO Cc1cccc(C)c1NC(=O)CCC[N@@H+]1CCC[C@H](C#N)C1 ZINC000932161435 639279288 /nfs/dbraw/zinc/27/92/88/639279288.db2.gz LOWQFYYOXIWDJI-MRXNPFEDSA-N 1 1 299.418 3.258 20 30 CGEDMO Cc1cccc(C)c1NC(=O)CCC[N@H+]1CCC[C@H](C#N)C1 ZINC000932161435 639279297 /nfs/dbraw/zinc/27/92/97/639279297.db2.gz LOWQFYYOXIWDJI-MRXNPFEDSA-N 1 1 299.418 3.258 20 30 CGEDMO CC(C)(C)OC[C@@H]1CCC[N@H+]1Cc1ccccc1C#N ZINC000932171231 639285873 /nfs/dbraw/zinc/28/58/73/639285873.db2.gz WSZASCZVCNOHBC-INIZCTEOSA-N 1 1 272.392 3.338 20 30 CGEDMO Cn1nccc1[C@H]1CCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000932260802 639302569 /nfs/dbraw/zinc/30/25/69/639302569.db2.gz GWMNYIGROPZXGP-QGZVFWFLSA-N 1 1 299.805 3.262 20 30 CGEDMO Cn1nccc1[C@H]1CCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000932260802 639302576 /nfs/dbraw/zinc/30/25/76/639302576.db2.gz GWMNYIGROPZXGP-QGZVFWFLSA-N 1 1 299.805 3.262 20 30 CGEDMO C[C@@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCO1 ZINC000932337463 639314817 /nfs/dbraw/zinc/31/48/17/639314817.db2.gz SMZBSLIIJISMOX-CYBMUJFWSA-N 1 1 297.320 3.168 20 30 CGEDMO C[C@@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCO1 ZINC000932337463 639314819 /nfs/dbraw/zinc/31/48/19/639314819.db2.gz SMZBSLIIJISMOX-CYBMUJFWSA-N 1 1 297.320 3.168 20 30 CGEDMO C#CC[N@H+](Cc1coc(-c2ccc(F)cc2)n1)C(C)C ZINC000932394491 639324244 /nfs/dbraw/zinc/32/42/44/639324244.db2.gz PYOARAJEEGRXOF-UHFFFAOYSA-N 1 1 272.323 3.324 20 30 CGEDMO C#CC[N@@H+](Cc1coc(-c2ccc(F)cc2)n1)C(C)C ZINC000932394491 639324252 /nfs/dbraw/zinc/32/42/52/639324252.db2.gz PYOARAJEEGRXOF-UHFFFAOYSA-N 1 1 272.323 3.324 20 30 CGEDMO C#CC[N@H+](CCCCCn1cc(C)cn1)C(C)(C)C ZINC000932465000 639338213 /nfs/dbraw/zinc/33/82/13/639338213.db2.gz WILAQOHVBLDMGX-UHFFFAOYSA-N 1 1 261.413 3.096 20 30 CGEDMO CC(C)(C)c1cc2n(n1)CC[N@H+](CCCC(C)(C)C#N)C2 ZINC000932618685 639367153 /nfs/dbraw/zinc/36/71/53/639367153.db2.gz YQJRLKKIQHRAEJ-UHFFFAOYSA-N 1 1 288.439 3.326 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1C[C@@H](c2ccccc2)CC1(C)C ZINC000932906276 639398768 /nfs/dbraw/zinc/39/87/68/639398768.db2.gz VVFWFTGYNUYXJM-ZBFHGGJFSA-N 1 1 272.392 3.183 20 30 CGEDMO CC1(C[N@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)CCC1 ZINC000933627561 639470387 /nfs/dbraw/zinc/47/03/87/639470387.db2.gz FZOWUHMGNONJNI-MRXNPFEDSA-N 1 1 270.376 3.122 20 30 CGEDMO Cc1ccccc1C[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933622979 639470782 /nfs/dbraw/zinc/47/07/82/639470782.db2.gz OWWLCHJAMVNURK-IBGZPJMESA-N 1 1 292.382 3.440 20 30 CGEDMO CC(F)(F)CCC[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933632386 639471625 /nfs/dbraw/zinc/47/16/25/639471625.db2.gz RNWFUQDAMASXNE-HNNXBMFYSA-N 1 1 294.345 3.367 20 30 CGEDMO CC(F)(F)CCC[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933632386 639471632 /nfs/dbraw/zinc/47/16/32/639471632.db2.gz RNWFUQDAMASXNE-HNNXBMFYSA-N 1 1 294.345 3.367 20 30 CGEDMO N#Cc1ccc([C@@H]2C[N@@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)CCO2)cc1 ZINC000933633104 639472355 /nfs/dbraw/zinc/47/23/55/639472355.db2.gz VKOQGQYRRQQQMS-YSHGAJCASA-N 1 1 296.414 3.368 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H]1c1ncc(OC)c(=O)[n-]1 ZINC000934274336 639570137 /nfs/dbraw/zinc/57/01/37/639570137.db2.gz SPCXBPXBGCYGFV-CYBMUJFWSA-N 1 1 291.395 3.074 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@@H]1c1ncc(OC)c(=O)[nH]1 ZINC000934274336 639570144 /nfs/dbraw/zinc/57/01/44/639570144.db2.gz SPCXBPXBGCYGFV-CYBMUJFWSA-N 1 1 291.395 3.074 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000934331614 639587395 /nfs/dbraw/zinc/58/73/95/639587395.db2.gz FWHNNVXVYAVPJE-ZDUSSCGKSA-N 1 1 283.400 3.079 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000934334854 639587943 /nfs/dbraw/zinc/58/79/43/639587943.db2.gz XNVOAOUUMKJTNN-ZDUSSCGKSA-N 1 1 277.437 3.337 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1CC(=O)c1c[nH]c2ccc(F)cc21 ZINC000934460932 639611874 /nfs/dbraw/zinc/61/18/74/639611874.db2.gz TZCWDAAWEFPEPQ-LBPRGKRZSA-N 1 1 272.323 3.140 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1CC(=O)c1c[nH]c2ccc(F)cc21 ZINC000934460932 639611876 /nfs/dbraw/zinc/61/18/76/639611876.db2.gz TZCWDAAWEFPEPQ-LBPRGKRZSA-N 1 1 272.323 3.140 20 30 CGEDMO C[C@]1(C2CC2)COCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000934477032 639618815 /nfs/dbraw/zinc/61/88/15/639618815.db2.gz BSXYDYBUDSFOML-MRXNPFEDSA-N 1 1 276.424 3.351 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1cn(Cc2ccccc2)nn1 ZINC000934644150 639648401 /nfs/dbraw/zinc/64/84/01/639648401.db2.gz AKBIVQZZCUTEOJ-UHFFFAOYSA-N 1 1 284.407 3.115 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000934766336 639672485 /nfs/dbraw/zinc/67/24/85/639672485.db2.gz ONYVLYPELMIJAT-WQVCFCJDSA-N 1 1 272.417 3.304 20 30 CGEDMO Cc1cccc(C2=CC[N@@H+](CCO[C@H](C)C#N)CC2)c1C ZINC000934841401 639688243 /nfs/dbraw/zinc/68/82/43/639688243.db2.gz PDNSCBAPAPVSMK-OAHLLOKOSA-N 1 1 284.403 3.321 20 30 CGEDMO CC(C)[N@@H+](CCCOc1ccc(C#N)cc1)CC1CC1 ZINC000042253491 639914238 /nfs/dbraw/zinc/91/42/38/639914238.db2.gz TTXAEBXCFBJDRC-UHFFFAOYSA-N 1 1 272.392 3.448 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CCSC[C@@H](C)C2)cc1 ZINC000190848371 640271615 /nfs/dbraw/zinc/27/16/15/640271615.db2.gz LMGCOLDKOCJFPC-HNNXBMFYSA-N 1 1 289.444 3.274 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CCO[C@](C)(CC)C2)cc1 ZINC000191147309 640293223 /nfs/dbraw/zinc/29/32/23/640293223.db2.gz LZSJVQLHKVMHJS-GOSISDBHSA-N 1 1 287.403 3.090 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CCO[C@](C)(CC)C2)cc1 ZINC000191147309 640293227 /nfs/dbraw/zinc/29/32/27/640293227.db2.gz LZSJVQLHKVMHJS-GOSISDBHSA-N 1 1 287.403 3.090 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCSCC[C@H]2C)cc1 ZINC000191821296 640331911 /nfs/dbraw/zinc/33/19/11/640331911.db2.gz CAOJPCPLDJWFPU-KGLIPLIRSA-N 1 1 290.432 3.305 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCSCC[C@H]2C)cc1 ZINC000191814545 640332699 /nfs/dbraw/zinc/33/26/99/640332699.db2.gz PDNFHZQMXHXQNJ-CQSZACIVSA-N 1 1 275.417 3.026 20 30 CGEDMO C=C(Br)C[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000193086832 640431965 /nfs/dbraw/zinc/43/19/65/640431965.db2.gz NKILGIFFPYTXHW-UHFFFAOYSA-N 1 1 299.193 3.401 20 30 CGEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC=CO1 ZINC000193815740 640496666 /nfs/dbraw/zinc/49/66/66/640496666.db2.gz NLVSZLKHSWICJW-INIZCTEOSA-N 1 1 288.347 3.276 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](CC)C2)cc1 ZINC000092487308 640737834 /nfs/dbraw/zinc/73/78/34/640737834.db2.gz SUIHQASRABRZHC-RDJZCZTQSA-N 1 1 287.403 3.088 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2C[C@H](C)O[C@@H](CC)C2)cc1 ZINC000092487308 640737839 /nfs/dbraw/zinc/73/78/39/640737839.db2.gz SUIHQASRABRZHC-RDJZCZTQSA-N 1 1 287.403 3.088 20 30 CGEDMO COCC[N@H+](Cc1ccc(O[C@@H](C)C#N)cc1)CC(C)C ZINC000092563395 640740846 /nfs/dbraw/zinc/74/08/46/640740846.db2.gz GMJSPVWAJGINFX-HNNXBMFYSA-N 1 1 290.407 3.082 20 30 CGEDMO CC(C)C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CCCC1 ZINC000094848700 640803271 /nfs/dbraw/zinc/80/32/71/640803271.db2.gz XQINXMQNDLAMBZ-GOSISDBHSA-N 1 1 286.419 3.492 20 30 CGEDMO CC[C@@H](C)c1ccc(NC(=[NH2+])NCC(C)(C)N(C)C)cc1 ZINC000303779394 640843071 /nfs/dbraw/zinc/84/30/71/640843071.db2.gz KNCYQNKYCISSFH-CYBMUJFWSA-N 1 1 290.455 3.267 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2sc(C)cc2C)C1 ZINC001007427537 640942548 /nfs/dbraw/zinc/94/25/48/640942548.db2.gz JKKILDHABDYGEF-AWEZNQCLSA-N 1 1 292.448 3.135 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C2(C3CC3)CCC2)C1 ZINC001008078924 640946955 /nfs/dbraw/zinc/94/69/55/640946955.db2.gz QTKJDISUIAKACN-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2occc2C(C)C)C1 ZINC001008274949 640949068 /nfs/dbraw/zinc/94/90/68/640949068.db2.gz IOIHDVCEWKVMCP-AWEZNQCLSA-N 1 1 290.407 3.173 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2occc2C(C)C)C1 ZINC001008275967 640949804 /nfs/dbraw/zinc/94/98/04/640949804.db2.gz MUIVUHLLBCVOTI-CQSZACIVSA-N 1 1 290.407 3.173 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cl)cc2C)C1 ZINC001008399717 640951054 /nfs/dbraw/zinc/95/10/54/640951054.db2.gz NCFYDOQAWPCKTR-AWEZNQCLSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001009604410 640959985 /nfs/dbraw/zinc/95/99/85/640959985.db2.gz TZPPDMDYNSDSMK-WMZOPIPTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C2CCC(C)(C)CC2)C1 ZINC001009656023 640961768 /nfs/dbraw/zinc/96/17/68/640961768.db2.gz FCFUPEQAGNHFLE-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2c(C)csc2Cl)C1 ZINC001016111856 640992390 /nfs/dbraw/zinc/99/23/90/640992390.db2.gz VHDTVRYIBBCZNO-LLVKDONJSA-N 1 1 298.839 3.090 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C1CCC1 ZINC001017771599 641015761 /nfs/dbraw/zinc/01/57/61/641015761.db2.gz JDHCUBODHDUPOT-IYBDPMFKSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1c(C)cccc1C ZINC001155407106 805579289 /nfs/dbraw/zinc/57/92/89/805579289.db2.gz NOHLYZPMTZKZDO-MRXNPFEDSA-N 1 1 288.435 3.320 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1cccc(F)c1Cl ZINC001155445402 805583215 /nfs/dbraw/zinc/58/32/15/805583215.db2.gz IUKLJVAESHGOMG-LLVKDONJSA-N 1 1 298.789 3.105 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)CC[C@@H](C)F ZINC001155489760 805586530 /nfs/dbraw/zinc/58/65/30/805586530.db2.gz LIZJISIHNDWZAJ-ZIAGYGMSSA-N 1 1 286.435 3.163 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)CC(C)C ZINC001156041383 805644776 /nfs/dbraw/zinc/64/47/76/805644776.db2.gz MEWNXDGXLYGJEG-HZPDHXFCSA-N 1 1 282.472 3.461 20 30 CGEDMO Cc1[nH+]c(NCCc2ccsc2)ccc1CC#N ZINC001156523482 805710317 /nfs/dbraw/zinc/71/03/17/805710317.db2.gz SRBVHNMEJKKMPA-UHFFFAOYSA-N 1 1 257.362 3.172 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1cc2ccccc2o1 ZINC001156742500 805729233 /nfs/dbraw/zinc/72/92/33/805729233.db2.gz ZWTRCLAIUYWKOB-CYBMUJFWSA-N 1 1 286.375 3.059 20 30 CGEDMO C=C(C)C[N@@H+](CC)C[C@H](O)COc1ccc(C(C)C)cc1 ZINC001250757778 805772490 /nfs/dbraw/zinc/77/24/90/805772490.db2.gz GUOBIVSASIZAFB-KRWDZBQOSA-N 1 1 291.435 3.448 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)C1(C)C(C)(C)C1(C)C ZINC001157370282 805801233 /nfs/dbraw/zinc/80/12/33/805801233.db2.gz UJRVRIQELXAXKD-CYBMUJFWSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)C1CC1 ZINC001157417003 805807985 /nfs/dbraw/zinc/80/79/85/805807985.db2.gz PWLAAHQXEQGNKZ-GDBMZVCRSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)C1CCC1 ZINC001157417019 805808347 /nfs/dbraw/zinc/80/83/47/805808347.db2.gz QTBDAGBYBKIZLQ-NVXWUHKLSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCC1CCCC1 ZINC001157477501 805819347 /nfs/dbraw/zinc/81/93/47/805819347.db2.gz YFQFNIAYYFHZDV-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)CSC(C)C ZINC001157573925 805838033 /nfs/dbraw/zinc/83/80/33/805838033.db2.gz UVGAWGCRHCNDDX-OAHLLOKOSA-N 1 1 298.496 3.017 20 30 CGEDMO C#CCCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)CCCC ZINC001157857178 805888162 /nfs/dbraw/zinc/88/81/62/805888162.db2.gz SNHAVOKNIKWWMZ-QGZVFWFLSA-N 1 1 292.467 3.293 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)c1coc(C)c1 ZINC001157861514 805888984 /nfs/dbraw/zinc/88/89/84/805888984.db2.gz PRZDVNKSHFGKMT-MRXNPFEDSA-N 1 1 290.407 3.091 20 30 CGEDMO C#CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC(=C)C ZINC001157902644 805901469 /nfs/dbraw/zinc/90/14/69/805901469.db2.gz LYJLQCUHONJDKT-QGZVFWFLSA-N 1 1 290.451 3.069 20 30 CGEDMO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)CC(C)C ZINC001158011930 805913440 /nfs/dbraw/zinc/91/34/40/805913440.db2.gz WSDIMEJZCOPCPB-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCF ZINC001158369709 805946425 /nfs/dbraw/zinc/94/64/25/805946425.db2.gz JRKWFAQNUOMIGV-JKSUJKDBSA-N 1 1 298.446 3.261 20 30 CGEDMO C=CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)C(C)C ZINC001158426161 805953186 /nfs/dbraw/zinc/95/31/86/805953186.db2.gz JQKNXPNHLLZQKM-OAHLLOKOSA-N 1 1 266.429 3.064 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC12CC2 ZINC001158518720 805962766 /nfs/dbraw/zinc/96/27/66/805962766.db2.gz KXSILQYMOHXYMU-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+](C)C1CCN(C)CC1 ZINC001252122756 806009319 /nfs/dbraw/zinc/00/93/19/806009319.db2.gz ZIECMCMHGNTMHU-KRWDZBQOSA-N 1 1 284.488 3.124 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CC[C@](C)(O)[C@H](C)C1 ZINC001252122961 806009994 /nfs/dbraw/zinc/00/99/94/806009994.db2.gz AXLSYBFJHUGQJK-IKGGRYGDSA-N 1 1 285.472 3.191 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001252130647 806015272 /nfs/dbraw/zinc/01/52/72/806015272.db2.gz VQPNYODRZICXRD-DLBZAZTESA-N 1 1 283.456 3.353 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+]1CCCC[C@H]1C(=O)OC ZINC001252123927 806011643 /nfs/dbraw/zinc/01/16/43/806011643.db2.gz MSSDIFDRYVPXPD-HOTGVXAUSA-N 1 1 299.455 3.125 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCCC[C@H]1C(=O)OC ZINC001252123927 806011653 /nfs/dbraw/zinc/01/16/53/806011653.db2.gz MSSDIFDRYVPXPD-HOTGVXAUSA-N 1 1 299.455 3.125 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001252130599 806014396 /nfs/dbraw/zinc/01/43/96/806014396.db2.gz UPEBJKXWTKCTJW-YESZJQIVSA-N 1 1 283.456 3.209 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001252130598 806014592 /nfs/dbraw/zinc/01/45/92/806014592.db2.gz UPEBJKXWTKCTJW-ULQDDVLXSA-N 1 1 283.456 3.209 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+](C)Cc1cnc(C)nc1 ZINC001252130866 806018429 /nfs/dbraw/zinc/01/84/29/806018429.db2.gz ZMBQTJRQAJVVMX-QGZVFWFLSA-N 1 1 293.455 3.328 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+](C)Cc1cncnc1 ZINC001252133768 806020483 /nfs/dbraw/zinc/02/04/83/806020483.db2.gz SEZZXOYTEFOIIT-MRXNPFEDSA-N 1 1 279.428 3.020 20 30 CGEDMO CCCCCCCC[C@@H](O)C[NH2+][C@H]1CCCN(C)CC1 ZINC001252135665 806022197 /nfs/dbraw/zinc/02/21/97/806022197.db2.gz HIVWNMYBGSCBKS-DLBZAZTESA-N 1 1 284.488 3.172 20 30 CGEDMO CCCCCCCC[C@H](O)C[NH2+]C[C@@H]1CCCN(C)C1 ZINC001252135973 806021823 /nfs/dbraw/zinc/02/18/23/806021823.db2.gz KDMXRGHCAJRKKM-IRXDYDNUSA-N 1 1 284.488 3.029 20 30 CGEDMO Cc1[nH]c2nc[nH+]c(NCc3ccc(C#N)c(F)c3)c2c1C ZINC001159084577 806040721 /nfs/dbraw/zinc/04/07/21/806040721.db2.gz NMGFSNMPQQOJPQ-UHFFFAOYSA-N 1 1 295.321 3.198 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)C=C(C)C)CC1 ZINC001159187372 806056800 /nfs/dbraw/zinc/05/68/00/806056800.db2.gz LUAYKBCUHFQZDN-UHFFFAOYSA-N 1 1 276.424 3.057 20 30 CGEDMO C=C[C@@](C)(O)C[N@@H+]1CCC[C@@H]1c1ccccc1SC ZINC001252556363 806063646 /nfs/dbraw/zinc/06/36/46/806063646.db2.gz CRLFNWHZDAJSDT-GDBMZVCRSA-N 1 1 277.433 3.482 20 30 CGEDMO C=C[C@](C)(O)C[N@@H+](Cc1ccccc1)C1CCSCC1 ZINC001252556789 806064275 /nfs/dbraw/zinc/06/42/75/806064275.db2.gz JICUPILGZNVXHH-KRWDZBQOSA-N 1 1 291.460 3.321 20 30 CGEDMO C=C[C@@](C)(O)C[N@@H+](Cc1ccccn1)C1CCCCC1 ZINC001252560965 806065295 /nfs/dbraw/zinc/06/52/95/806065295.db2.gz WQIKJKWUKMNYOQ-QGZVFWFLSA-N 1 1 274.408 3.153 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001252600181 806080447 /nfs/dbraw/zinc/08/04/47/806080447.db2.gz YUZJRJQWVXFBST-GOSISDBHSA-N 1 1 288.435 3.046 20 30 CGEDMO CCCCCCC[N@@H+](C)C[C@@H](O)COCc1ccco1 ZINC001252637333 806097401 /nfs/dbraw/zinc/09/74/01/806097401.db2.gz DSSJPNJXCKUDOI-OAHLLOKOSA-N 1 1 283.412 3.059 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[N@H+]1CCN2CC[C@@H]2C1 ZINC001252982362 806145110 /nfs/dbraw/zinc/14/51/10/806145110.db2.gz CGGGSWRSXKKCBV-MSOLQXFVSA-N 1 1 296.499 3.268 20 30 CGEDMO CCCCCCCCCC[C@H](O)CN1CC[N@@H+]2CC[C@@H]2C1 ZINC001252982362 806145114 /nfs/dbraw/zinc/14/51/14/806145114.db2.gz CGGGSWRSXKKCBV-MSOLQXFVSA-N 1 1 296.499 3.268 20 30 CGEDMO CCCCCCCCCC[C@H](O)CN1CC[N@H+]2CC[C@@H]2C1 ZINC001252982362 806145119 /nfs/dbraw/zinc/14/51/19/806145119.db2.gz CGGGSWRSXKKCBV-MSOLQXFVSA-N 1 1 296.499 3.268 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[N@@H+](C)CC(C)=O ZINC001252980717 806145555 /nfs/dbraw/zinc/14/55/55/806145555.db2.gz YQRDRIBNSWWOJK-INIZCTEOSA-N 1 1 271.445 3.399 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[NH2+]C[C@H]1CCN(C)C1 ZINC001252983331 806146729 /nfs/dbraw/zinc/14/67/29/806146729.db2.gz VEJXPIYZIRCYPN-MSOLQXFVSA-N 1 1 298.515 3.419 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCC[C@@](C)(O)[C@H](C)C1 ZINC001253236352 806188478 /nfs/dbraw/zinc/18/84/78/806188478.db2.gz SJWZDCTUVPHIHV-FGTMMUONSA-N 1 1 297.483 3.357 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+](C)CCN(CC)CC ZINC001253226937 806184502 /nfs/dbraw/zinc/18/45/02/806184502.db2.gz COPAQRKWEOMWPD-KRWDZBQOSA-N 1 1 284.488 3.148 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+](C)CCN(CC)CC ZINC001253226937 806184505 /nfs/dbraw/zinc/18/45/05/806184505.db2.gz COPAQRKWEOMWPD-KRWDZBQOSA-N 1 1 284.488 3.148 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@](C)(CO)CC1 ZINC001253233977 806189132 /nfs/dbraw/zinc/18/91/32/806189132.db2.gz RHVWNWGTEQRKJB-MSOLQXFVSA-N 1 1 297.483 3.358 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CCOC[C@H]1C(C)C ZINC001253240404 806190602 /nfs/dbraw/zinc/19/06/02/806190602.db2.gz KPOVCBUNUZIVPW-IRXDYDNUSA-N 1 1 283.456 3.231 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCCCC12COC2 ZINC001253239960 806191011 /nfs/dbraw/zinc/19/10/11/806191011.db2.gz WJJPTWDBBFYJQP-MRXNPFEDSA-N 1 1 281.440 3.129 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@@H](OC)C[C@H]1C ZINC001253241764 806191773 /nfs/dbraw/zinc/19/17/73/806191773.db2.gz DABRAVVDNPUZHM-IXDOHACOSA-N 1 1 283.456 3.373 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCc2ncsc2C1 ZINC001253241710 806192471 /nfs/dbraw/zinc/19/24/71/806192471.db2.gz ZVIFDJMCSKYKFU-AWEZNQCLSA-N 1 1 294.464 3.389 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@H](C#N)C1 ZINC001253241681 806192999 /nfs/dbraw/zinc/19/29/99/806192999.db2.gz ZGFMARPJLVHKDN-JKSUJKDBSA-N 1 1 264.413 3.109 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCC[C@@H](C#N)C1 ZINC001253241681 806193003 /nfs/dbraw/zinc/19/30/03/806193003.db2.gz ZGFMARPJLVHKDN-JKSUJKDBSA-N 1 1 264.413 3.109 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)C[C@@H](O)COC(C)(C)C ZINC001253454513 806220731 /nfs/dbraw/zinc/22/07/31/806220731.db2.gz XZTPWZRATRXUFE-QGZVFWFLSA-N 1 1 291.435 3.241 20 30 CGEDMO Cc1ccc(CC#N)c(N[C@@H]2COCc3ccccc32)[nH+]1 ZINC001160125084 806224550 /nfs/dbraw/zinc/22/45/50/806224550.db2.gz YLAGEEICMHGANS-MRXNPFEDSA-N 1 1 279.343 3.140 20 30 CGEDMO CC(C)C[C@@H](C#N)Nc1ccc(C[N@@H+](C)C2CC2)cn1 ZINC001160365970 806262934 /nfs/dbraw/zinc/26/29/34/806262934.db2.gz TXXMWXYQRUMNTJ-AWEZNQCLSA-N 1 1 272.396 3.026 20 30 CGEDMO C=C[C@@H](O)C[N@@H+]1CC[C@@H](c2ccc(OC(C)(C)C)cc2)C1 ZINC001253590585 806266853 /nfs/dbraw/zinc/26/68/53/806266853.db2.gz WMOSIOVZMIFZAY-HZPDHXFCSA-N 1 1 289.419 3.200 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1CNc1ccc2c(n1)CCCC2 ZINC001160952784 806326662 /nfs/dbraw/zinc/32/66/62/806326662.db2.gz ATAZTNJJBCBBMB-HNNXBMFYSA-N 1 1 271.408 3.023 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[C@@H]2C)CC1 ZINC001161044551 806341372 /nfs/dbraw/zinc/34/13/72/806341372.db2.gz NCOYPEDOAYEKKE-DOTOQJQBSA-N 1 1 290.451 3.137 20 30 CGEDMO Cc1ccc([C@]2(C)C[N@@H+]([C@@H]3CC[C@H](C#N)C3)CCO2)cc1 ZINC001254668668 806479578 /nfs/dbraw/zinc/47/95/78/806479578.db2.gz HPRPULKFMSHBBI-JQHSSLGASA-N 1 1 284.403 3.235 20 30 CGEDMO Cc1ccc([C@]2(C)C[N@H+]([C@@H]3CC[C@H](C#N)C3)CCO2)cc1 ZINC001254668668 806479585 /nfs/dbraw/zinc/47/95/85/806479585.db2.gz HPRPULKFMSHBBI-JQHSSLGASA-N 1 1 284.403 3.235 20 30 CGEDMO N#C[C@H]1CC[C@H]([N@@H+]2Cc3cnc(-c4ccccc4)nc3C2)C1 ZINC001254672952 806482029 /nfs/dbraw/zinc/48/20/29/806482029.db2.gz FKXHGCDTXPDMPC-BBRMVZONSA-N 1 1 290.370 3.151 20 30 CGEDMO N#C[C@H]1CC[C@H]([N@H+]2Cc3cnc(-c4ccccc4)nc3C2)C1 ZINC001254672952 806482033 /nfs/dbraw/zinc/48/20/33/806482033.db2.gz FKXHGCDTXPDMPC-BBRMVZONSA-N 1 1 290.370 3.151 20 30 CGEDMO N#Cc1ccc(O[C@@H]2CCC[N@H+]([C@H]3CC[C@@H](C#N)C3)C2)cc1 ZINC001254676834 806484434 /nfs/dbraw/zinc/48/44/34/806484434.db2.gz OGTRHBUQUYGLIM-SOLBZPMBSA-N 1 1 295.386 3.094 20 30 CGEDMO CC1(C)CC(=O)C=C(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001255102649 806543734 /nfs/dbraw/zinc/54/37/34/806543734.db2.gz MQZFPLVTXMMJSM-INIZCTEOSA-N 1 1 298.430 3.124 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1c1ccc(NCc2ncon2)cc1 ZINC001162287495 806549170 /nfs/dbraw/zinc/54/91/70/806549170.db2.gz VWRLUDFGLNSANG-OAHLLOKOSA-N 1 1 284.363 3.005 20 30 CGEDMO C[N@H+]1CCC[C@](C)(Nc2nc(Cl)c(Cl)cc2C#N)C1 ZINC001162341834 806559014 /nfs/dbraw/zinc/55/90/14/806559014.db2.gz PDMVUNHPAKGTNE-ZDUSSCGKSA-N 1 1 299.205 3.156 20 30 CGEDMO CC[C@@H](CC#N)[N@@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001255174014 806567596 /nfs/dbraw/zinc/56/75/96/806567596.db2.gz HAWMNGGCOCWXTH-DOTOQJQBSA-N 1 1 283.375 3.094 20 30 CGEDMO CC[C@@H](CC#N)[N@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001255174014 806567600 /nfs/dbraw/zinc/56/76/00/806567600.db2.gz HAWMNGGCOCWXTH-DOTOQJQBSA-N 1 1 283.375 3.094 20 30 CGEDMO CC[C@H](CC#N)[N@H+](CCCC(=O)OC)Cc1ccccc1 ZINC001255165768 806563468 /nfs/dbraw/zinc/56/34/68/806563468.db2.gz CZTNBHJNWKIEEI-MRXNPFEDSA-N 1 1 288.391 3.134 20 30 CGEDMO CC[C@H](CC#N)[N@@H+](CCCC(=O)OC)Cc1ccccc1 ZINC001255165768 806563472 /nfs/dbraw/zinc/56/34/72/806563472.db2.gz CZTNBHJNWKIEEI-MRXNPFEDSA-N 1 1 288.391 3.134 20 30 CGEDMO CC[C@H](CC#N)[N@@H+]1CC[C@@H](Oc2ccccc2C)C1 ZINC001255172341 806565346 /nfs/dbraw/zinc/56/53/46/806565346.db2.gz NNSMDKSOGZBEFL-HUUCEWRRSA-N 1 1 258.365 3.140 20 30 CGEDMO CC[C@H](CC#N)[N@H+]1CC[C@@H](Oc2ccccc2C)C1 ZINC001255172341 806565351 /nfs/dbraw/zinc/56/53/51/806565351.db2.gz NNSMDKSOGZBEFL-HUUCEWRRSA-N 1 1 258.365 3.140 20 30 CGEDMO CC[C@@H](CC#N)[N@H+](Cc1cccc(OC)c1)[C@H](C)COC ZINC001255175599 806568748 /nfs/dbraw/zinc/56/87/48/806568748.db2.gz RTYWYISQZDZGHW-ZBFHGGJFSA-N 1 1 290.407 3.224 20 30 CGEDMO CC[C@@H](CC#N)[N@@H+](Cc1cccc(OC)c1)[C@H](C)COC ZINC001255175599 806568755 /nfs/dbraw/zinc/56/87/55/806568755.db2.gz RTYWYISQZDZGHW-ZBFHGGJFSA-N 1 1 290.407 3.224 20 30 CGEDMO C#CC1(Nc2ccc(C[N@H+](C)C3CC3)cn2)CCCCC1 ZINC001162479384 806595766 /nfs/dbraw/zinc/59/57/66/806595766.db2.gz BPZCOEBAPXDPSS-UHFFFAOYSA-N 1 1 283.419 3.424 20 30 CGEDMO CC[N@H+]1CCCC[C@H]1CNc1cc(C)cc(F)c1C#N ZINC001162489484 806596364 /nfs/dbraw/zinc/59/63/64/806596364.db2.gz HRUMIKRLNQZZEZ-ZDUSSCGKSA-N 1 1 275.371 3.292 20 30 CGEDMO C[N@H+]1CC[C@@H](N(CCC#N)C2CCCCCCC2)C1 ZINC001255435429 806638077 /nfs/dbraw/zinc/63/80/77/806638077.db2.gz FSUKHKBIXMRFJQ-MRXNPFEDSA-N 1 1 263.429 3.019 20 30 CGEDMO CN1CC[C@@H]([N@H+](CCC#N)C2CCCCCCC2)C1 ZINC001255435429 806638082 /nfs/dbraw/zinc/63/80/82/806638082.db2.gz FSUKHKBIXMRFJQ-MRXNPFEDSA-N 1 1 263.429 3.019 20 30 CGEDMO CN1CC[C@@H]([N@@H+](CCC#N)C2CCCCCCC2)C1 ZINC001255435429 806638085 /nfs/dbraw/zinc/63/80/85/806638085.db2.gz FSUKHKBIXMRFJQ-MRXNPFEDSA-N 1 1 263.429 3.019 20 30 CGEDMO C#CC[N@@H+](Cc1nc2ccc(OC)cc2s1)CC1CC1 ZINC001255649964 806694577 /nfs/dbraw/zinc/69/45/77/806694577.db2.gz UYFYBVCIALIDGG-UHFFFAOYSA-N 1 1 286.400 3.150 20 30 CGEDMO C#CC[N@H+](Cc1nc2ccc(OC)cc2s1)CC1CC1 ZINC001255649964 806694580 /nfs/dbraw/zinc/69/45/80/806694580.db2.gz UYFYBVCIALIDGG-UHFFFAOYSA-N 1 1 286.400 3.150 20 30 CGEDMO C[N@@H+](CCc1ccccc1)Cc1cc(F)cc(C#N)c1 ZINC000163626671 799084017 /nfs/dbraw/zinc/08/40/17/799084017.db2.gz KAVBSDIJKYPTRV-UHFFFAOYSA-N 1 1 268.335 3.372 20 30 CGEDMO CCCCCCCCCN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000386566541 799437786 /nfs/dbraw/zinc/43/77/86/799437786.db2.gz WNINDIIZGPTNIV-HZPDHXFCSA-N 1 1 252.446 3.421 20 30 CGEDMO CC(C)C[C@@H]1CCC[N@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC000402198622 799560199 /nfs/dbraw/zinc/56/01/99/799560199.db2.gz IGJFPROBIYABDE-IRXDYDNUSA-N 1 1 272.392 3.102 20 30 CGEDMO CC(C)C[N@H+](CCC#N)Cc1ccc(C#N)c(F)c1 ZINC000404057939 799573114 /nfs/dbraw/zinc/57/31/14/799573114.db2.gz LJXKAOYZHRRKDE-UHFFFAOYSA-N 1 1 259.328 3.069 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc(C#N)c(F)c1 ZINC000404057939 799573119 /nfs/dbraw/zinc/57/31/19/799573119.db2.gz LJXKAOYZHRRKDE-UHFFFAOYSA-N 1 1 259.328 3.069 20 30 CGEDMO N#CCC[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000425976267 799603618 /nfs/dbraw/zinc/60/36/18/799603618.db2.gz PUOHJLIRLXHAIZ-UHFFFAOYSA-N 1 1 262.662 3.362 20 30 CGEDMO C[C@H](Cc1ccccc1F)[N@H+]1CCC[C@@H](C#N)CC1 ZINC001255851331 806766945 /nfs/dbraw/zinc/76/69/45/806766945.db2.gz MFRRCPBQNZSKIE-ZIAGYGMSSA-N 1 1 260.356 3.382 20 30 CGEDMO C=CC[C@H]([NH2+]CC1CCCCCC1)C(=O)OCC ZINC001255854875 806770490 /nfs/dbraw/zinc/77/04/90/806770490.db2.gz WBYJWYISHXZYBM-AWEZNQCLSA-N 1 1 253.386 3.054 20 30 CGEDMO Cc1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1C#N ZINC000700692739 799878075 /nfs/dbraw/zinc/87/80/75/799878075.db2.gz YMBJUJQLKAPQCL-IYBDPMFKSA-N 1 1 254.377 3.489 20 30 CGEDMO Cc1ccc(C[N@@H+](C)Cc2ccccc2)cc1C#N ZINC000700732868 799878447 /nfs/dbraw/zinc/87/84/47/799878447.db2.gz XJXQZLOOPQVSQG-UHFFFAOYSA-N 1 1 250.345 3.499 20 30 CGEDMO CCCO[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000701719390 799892841 /nfs/dbraw/zinc/89/28/41/799892841.db2.gz UJCBCRKMFJFHES-CQSZACIVSA-N 1 1 278.783 3.213 20 30 CGEDMO CCCO[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000701719390 799892848 /nfs/dbraw/zinc/89/28/48/799892848.db2.gz UJCBCRKMFJFHES-CQSZACIVSA-N 1 1 278.783 3.213 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1ccn(-c2ccccc2)n1)C(C)(C)C ZINC000702237930 799905581 /nfs/dbraw/zinc/90/55/81/799905581.db2.gz ANOJROLRMUWTFD-MRXNPFEDSA-N 1 1 267.376 3.010 20 30 CGEDMO C#C[C@H]([NH2+]Cc1cccc(Br)c1O)C(C)(C)C ZINC000702246522 799906473 /nfs/dbraw/zinc/90/64/73/799906473.db2.gz NEBISCFZIOEXSS-LBPRGKRZSA-N 1 1 296.208 3.292 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](c3nccs3)C2)c1 ZINC000710362638 800033003 /nfs/dbraw/zinc/03/30/03/800033003.db2.gz WYEMRXNYVLIOGU-LBPRGKRZSA-N 1 1 287.363 3.143 20 30 CGEDMO CCc1[nH+]c(C)cn1CCCOc1cccc(C#N)c1 ZINC000715093123 800130385 /nfs/dbraw/zinc/13/03/85/800130385.db2.gz XYPQOVOZZURLER-UHFFFAOYSA-N 1 1 269.348 3.095 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)cc1Cl)C1CCOCC1 ZINC000716497277 800173740 /nfs/dbraw/zinc/17/37/40/800173740.db2.gz KQNYRYOTLFENCF-UHFFFAOYSA-N 1 1 278.783 3.213 20 30 CGEDMO C=CC[C@@H]([NH2+][C@@H]1CCC[C@H](c2ccccc2)C1)C(=O)OC ZINC001256109912 806823711 /nfs/dbraw/zinc/82/37/11/806823711.db2.gz SMAGDVHRMHIFTK-GVDBMIGSSA-N 1 1 287.403 3.420 20 30 CGEDMO CCCCCC[N@H+](C)CC(=O)O[C@@H]1CCC[C@H](C#N)C1 ZINC000839050044 800494699 /nfs/dbraw/zinc/49/46/99/800494699.db2.gz IPPCSGJVVHIJHP-LSDHHAIUSA-N 1 1 280.412 3.124 20 30 CGEDMO CCCCCC[N@@H+](C)CC(=O)O[C@@H]1CCC[C@H](C#N)C1 ZINC000839050044 800494700 /nfs/dbraw/zinc/49/47/00/800494700.db2.gz IPPCSGJVVHIJHP-LSDHHAIUSA-N 1 1 280.412 3.124 20 30 CGEDMO C=C(C[NH2+]Cc1nnc(C(C)C)s1)c1ccccc1 ZINC000892711105 800568124 /nfs/dbraw/zinc/56/81/24/800568124.db2.gz IVQFQTHDKYGNIZ-UHFFFAOYSA-N 1 1 273.405 3.465 20 30 CGEDMO N#CC1CCC(C[N@H+]2CC[C@H](c3ccco3)C2)CC1 ZINC000929617622 800648525 /nfs/dbraw/zinc/64/85/25/800648525.db2.gz KHWNCWAQYFRXHY-NRXISQOPSA-N 1 1 258.365 3.399 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)c(C)o2)[C@H]1C ZINC000993206464 800695064 /nfs/dbraw/zinc/69/50/64/800695064.db2.gz JKZWSZMAFAMJHJ-HIFRSBDPSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001023769284 800715338 /nfs/dbraw/zinc/71/53/38/800715338.db2.gz YSRPHFRZWQIYTO-CVEARBPZSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@H]1CNC(=O)C1=CCCCCC1 ZINC001024411353 800725703 /nfs/dbraw/zinc/72/57/03/800725703.db2.gz OVUVMJRRAHVXIT-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2occc2c1 ZINC001024454025 800728412 /nfs/dbraw/zinc/72/84/12/800728412.db2.gz YBLRKTGWJFVUIJ-INIZCTEOSA-N 1 1 298.386 3.203 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1sccc1F ZINC001024427510 800728683 /nfs/dbraw/zinc/72/86/83/800728683.db2.gz KVZPYELRYMUIBA-GFCCVEGCSA-N 1 1 296.411 3.048 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)C1CCC(=C)CC1 ZINC001024631539 800732227 /nfs/dbraw/zinc/73/22/27/800732227.db2.gz MCLPIELZTVVEAE-KRWDZBQOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CCC ZINC001024641527 800734315 /nfs/dbraw/zinc/73/43/15/800734315.db2.gz KQJOWKPMPVVKLB-IXDOHACOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001024662244 800734319 /nfs/dbraw/zinc/73/43/19/800734319.db2.gz UVJUORNJYWPGNC-IXDOHACOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCCC1(C)C ZINC001024817750 800737949 /nfs/dbraw/zinc/73/79/49/800737949.db2.gz GMPLRXMPWUBOGS-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1CCC1 ZINC001025190359 800746452 /nfs/dbraw/zinc/74/64/52/800746452.db2.gz WKYYDCLXJIUAJN-DLBZAZTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)C ZINC001025294019 800753950 /nfs/dbraw/zinc/75/39/50/800753950.db2.gz WFCQMTVZRDMHEU-HOTGVXAUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2sccc2C)C1 ZINC001027275189 800788458 /nfs/dbraw/zinc/78/84/58/800788458.db2.gz MBLYRDWXMKQDGH-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C(C)=C2CCCC2)C1 ZINC001027359723 800793929 /nfs/dbraw/zinc/79/39/29/800793929.db2.gz VJWUOUZIHDYIAB-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001027425274 800796590 /nfs/dbraw/zinc/79/65/90/800796590.db2.gz HFGOGTHCPYPXPX-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC=CCCC2)C1 ZINC001027460553 800796981 /nfs/dbraw/zinc/79/69/81/800796981.db2.gz KLMIQOQHOATWRB-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)C(=C)C)C1 ZINC001027518751 800800441 /nfs/dbraw/zinc/80/04/41/800800441.db2.gz ZZTIPNGSDNTDDK-CQSZACIVSA-N 1 1 298.858 3.264 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)C(=C)C)C1 ZINC001027518751 800800447 /nfs/dbraw/zinc/80/04/47/800800447.db2.gz ZZTIPNGSDNTDDK-CQSZACIVSA-N 1 1 298.858 3.264 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(C)c1 ZINC001027737622 800817362 /nfs/dbraw/zinc/81/73/62/800817362.db2.gz SGAKELCKAIAKIJ-KRWDZBQOSA-N 1 1 286.419 3.155 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cscc1Cl ZINC001027952873 800826681 /nfs/dbraw/zinc/82/66/81/800826681.db2.gz FUSNZFQEBBQQKH-LLVKDONJSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1csc(Cl)c1 ZINC001028180560 800836172 /nfs/dbraw/zinc/83/61/72/800836172.db2.gz DCERRLDYRNUAFK-LBPRGKRZSA-N 1 1 298.839 3.172 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C(C)C)cc1 ZINC001028280916 800841199 /nfs/dbraw/zinc/84/11/99/800841199.db2.gz ZCTGTQPFWOUOOQ-SFHVURJKSA-N 1 1 298.430 3.028 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1sccc1CC ZINC001028332615 800841658 /nfs/dbraw/zinc/84/16/58/800841658.db2.gz ZEHYPVXVPWUIEI-AWEZNQCLSA-N 1 1 292.448 3.081 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCC2(C)C)C1 ZINC001028745514 800851687 /nfs/dbraw/zinc/85/16/87/800851687.db2.gz COFKDZWQLCGSTP-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001028941962 800855586 /nfs/dbraw/zinc/85/55/86/800855586.db2.gz RQJLIPCJAPXPQQ-ULQDDVLXSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](CNC(=O)c2cccc(C(C)C)c2)C1 ZINC001028912896 800856197 /nfs/dbraw/zinc/85/61/97/800856197.db2.gz NUDRSJQGVMFHBK-HNNXBMFYSA-N 1 1 286.419 3.048 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001029009225 800857322 /nfs/dbraw/zinc/85/73/22/800857322.db2.gz QEHWXUFSHNPHJK-HOTGVXAUSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)c2cccc(C3CC3)c2)C1 ZINC001029005714 800857505 /nfs/dbraw/zinc/85/75/05/800857505.db2.gz ASQNGVSMNIIOTK-HNNXBMFYSA-N 1 1 298.430 3.192 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](CNC(=O)c2sccc2C(C)C)C1 ZINC001029001933 800858326 /nfs/dbraw/zinc/85/83/26/800858326.db2.gz HAUAARWMGKPUMW-ZDUSSCGKSA-N 1 1 292.448 3.109 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H](C[N@H+](C)CC2CC(C)C2)C1 ZINC001029804208 800876796 /nfs/dbraw/zinc/87/67/96/800876796.db2.gz SVBZBCZUGALMSX-HWOWSKLDSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C1CC(C)(C(=O)NC2C[NH+]([C@H](C)c3ccccc3C)C2)C1 ZINC001030916950 800902354 /nfs/dbraw/zinc/90/23/54/800902354.db2.gz QVOXZCOPQPSAPW-OAHLLOKOSA-N 1 1 298.430 3.213 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCC(C)(C)CC1 ZINC001032808409 800936132 /nfs/dbraw/zinc/93/61/32/800936132.db2.gz WVOFWVYVDBYOIN-HOTGVXAUSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCCC1(C)C ZINC001032809256 800937305 /nfs/dbraw/zinc/93/73/05/800937305.db2.gz JBSGXPOIXJMLDI-JYJNAYRXSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2sccc2C)C1 ZINC001032867012 800941622 /nfs/dbraw/zinc/94/16/22/800941622.db2.gz SFZBAZDVWQNQEQ-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)CC2CCCCC2)C1 ZINC001032888743 800944030 /nfs/dbraw/zinc/94/40/30/800944030.db2.gz PLVJYUGWCCCTQM-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)CC2CCCCC2)C1 ZINC001032889014 800944464 /nfs/dbraw/zinc/94/44/64/800944464.db2.gz SCJJOHDMZKZOAC-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001033076073 800952838 /nfs/dbraw/zinc/95/28/38/800952838.db2.gz KYFRGTLZNRPTCP-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(CC)s2)C1 ZINC001033237556 800955627 /nfs/dbraw/zinc/95/56/27/800955627.db2.gz JVHUEOBORQCFQW-CYBMUJFWSA-N 1 1 292.448 3.033 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)C2CCC(F)CC2)C1 ZINC001033384680 800962356 /nfs/dbraw/zinc/96/23/56/800962356.db2.gz WBZFUNHSBCJGNM-UYSNPLJNSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CC=C(C)C)C2)CC1 ZINC001033389763 800962689 /nfs/dbraw/zinc/96/26/89/800962689.db2.gz VCUKIDJTOFTYMG-KRWDZBQOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C(C)C)cc2)C1 ZINC001033614457 800971293 /nfs/dbraw/zinc/97/12/93/800971293.db2.gz UBDTWAMJAKBTEM-QGZVFWFLSA-N 1 1 286.419 3.142 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc3ccccc32)C1 ZINC001033627502 800971314 /nfs/dbraw/zinc/97/13/14/800971314.db2.gz FQGDKYKROFQFFI-INIZCTEOSA-N 1 1 294.398 3.172 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)C2CCCCC2)C1 ZINC001033738495 800981019 /nfs/dbraw/zinc/98/10/19/800981019.db2.gz VTQCIVKZTRFGHD-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2oc(C)cc2C)C1 ZINC001033785623 800981731 /nfs/dbraw/zinc/98/17/31/800981731.db2.gz LSYFOUKJSMQKIJ-OAHLLOKOSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(C)c(C)c2)C1 ZINC001034032170 800994621 /nfs/dbraw/zinc/99/46/21/800994621.db2.gz MWHJOULMRARURD-KRWDZBQOSA-N 1 1 286.419 3.026 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(Cl)s2)C1 ZINC001034032166 800995649 /nfs/dbraw/zinc/99/56/49/800995649.db2.gz MVVYRUUBPQLUBY-LLVKDONJSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(Cl)s2)C1 ZINC001034032166 800995652 /nfs/dbraw/zinc/99/56/52/800995652.db2.gz MVVYRUUBPQLUBY-LLVKDONJSA-N 1 1 298.839 3.124 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC=CCC2)C1 ZINC001034096931 801004441 /nfs/dbraw/zinc/00/44/41/801004441.db2.gz UDHVJLDAHFSMTP-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@H](NC(=O)C=C2CCCCC2)C1 ZINC001034127173 801006323 /nfs/dbraw/zinc/00/63/23/801006323.db2.gz IDXBUDJECKAFJE-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2cc(C)c(C)o2)C1 ZINC001034164120 801009778 /nfs/dbraw/zinc/00/97/78/801009778.db2.gz GVASFUFJRSIRTA-OAHLLOKOSA-N 1 1 290.407 3.057 20 30 CGEDMO CC(C)CC[C@@H](C)[NH+]1CC(Oc2ccccc2C#N)C1 ZINC001256375787 806877740 /nfs/dbraw/zinc/87/77/40/806877740.db2.gz ZSSFZMRTYQYDRD-CQSZACIVSA-N 1 1 272.392 3.446 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)C2CCCC2)C1 ZINC001034243959 801013043 /nfs/dbraw/zinc/01/30/43/801013043.db2.gz NCAIHLVMLZOKLX-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC23CC3)C1 ZINC001034274333 801015115 /nfs/dbraw/zinc/01/51/15/801015115.db2.gz SZKBSVMNQCHCKV-HZPDHXFCSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)CCC(C)C)C1 ZINC001256374579 806878101 /nfs/dbraw/zinc/87/81/01/806878101.db2.gz MDDYNOWTEYWAGX-LSDHHAIUSA-N 1 1 282.428 3.188 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)C2(C)CCCC2)C1 ZINC001034332488 801018418 /nfs/dbraw/zinc/01/84/18/801018418.db2.gz IKHBTHVEEQNJEE-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001034353289 801020060 /nfs/dbraw/zinc/02/00/60/801020060.db2.gz WGNDIULLTRKOLV-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CCCC[N@H+](C(C)C)C2)CC1 ZINC001034383108 801023532 /nfs/dbraw/zinc/02/35/32/801023532.db2.gz VYVWHBRXGWWQOZ-INIZCTEOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)C2(F)CCCCC2)C1 ZINC001034472185 801028309 /nfs/dbraw/zinc/02/83/09/801028309.db2.gz ROAQASZQHKAESI-OAHLLOKOSA-N 1 1 296.430 3.206 20 30 CGEDMO C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)C1(CC)CC1)CC2 ZINC001035227068 801057588 /nfs/dbraw/zinc/05/75/88/801057588.db2.gz QUGHSYMZUJZPII-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1coc2c1cccc2C ZINC001038345384 801125095 /nfs/dbraw/zinc/12/50/95/801125095.db2.gz AGJAMDQVWFBQSC-AWEZNQCLSA-N 1 1 298.386 3.121 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C2CCCC2)cc1 ZINC001038525370 801126537 /nfs/dbraw/zinc/12/65/37/801126537.db2.gz OGLNUPLBPAYIOS-GOSISDBHSA-N 1 1 298.430 3.334 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C2CCCC2)cc1 ZINC001038525370 801126542 /nfs/dbraw/zinc/12/65/42/801126542.db2.gz OGLNUPLBPAYIOS-GOSISDBHSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)c1occc1C(C)C ZINC001038626696 801128851 /nfs/dbraw/zinc/12/88/51/801128851.db2.gz GYGUDHLKURLDSN-AWEZNQCLSA-N 1 1 290.407 3.173 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1cc(C(C)C)oc1C ZINC001038868275 801134813 /nfs/dbraw/zinc/13/48/13/801134813.db2.gz KMVZDCKWICGLPU-AWEZNQCLSA-N 1 1 290.407 3.092 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1cc(C(C)C)oc1C ZINC001038868275 801134817 /nfs/dbraw/zinc/13/48/17/801134817.db2.gz KMVZDCKWICGLPU-AWEZNQCLSA-N 1 1 290.407 3.092 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)CCC=C2 ZINC001038933748 801136924 /nfs/dbraw/zinc/13/69/24/801136924.db2.gz GIDURYNAVXEQMT-SFHVURJKSA-N 1 1 296.414 3.026 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2cc(C)ccc2o1 ZINC001039043344 801141485 /nfs/dbraw/zinc/14/14/85/801141485.db2.gz HKTSVMKAGNMFGW-OAHLLOKOSA-N 1 1 298.386 3.121 20 30 CGEDMO C=CC[N@H+]1CC[C@H]1CNC(=O)c1ccc([C@H](C)CC)cc1 ZINC001039057141 801143445 /nfs/dbraw/zinc/14/34/45/801143445.db2.gz QWODXEWRWFONMZ-PBHICJAKSA-N 1 1 286.419 3.190 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc([C@H](C)CC)cc1 ZINC001039057141 801143447 /nfs/dbraw/zinc/14/34/47/801143447.db2.gz QWODXEWRWFONMZ-PBHICJAKSA-N 1 1 286.419 3.190 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)C1CC(C(C)(C)C)C1 ZINC001039076559 801146216 /nfs/dbraw/zinc/14/62/16/801146216.db2.gz CGNHMUQQWLGLKH-UYSNPLJNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)F)C2)C1 ZINC001040037783 801171633 /nfs/dbraw/zinc/17/16/33/801171633.db2.gz GSAWYNMXNZKKNK-KRWDZBQOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)c3ccccc3)C2)C1 ZINC001040043202 801171642 /nfs/dbraw/zinc/17/16/42/801171642.db2.gz DBVSPCVKGLRECB-IBGZPJMESA-N 1 1 298.430 3.191 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC(=C)C)C2 ZINC001040327331 801174834 /nfs/dbraw/zinc/17/48/34/801174834.db2.gz FASPNTSBZGUKKH-SFHVURJKSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@]2(CC[N@H+](CCCC)C2)C1 ZINC001041536747 801189842 /nfs/dbraw/zinc/18/98/42/801189842.db2.gz QFTKHJXZFHGTRT-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)C3(CC)CCCC3)C2)C1 ZINC001041766098 801192609 /nfs/dbraw/zinc/19/26/09/801192609.db2.gz YMIGVTCVZXEPHE-KRWDZBQOSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@](C)(C=C)CC)C2)C1 ZINC001041637823 801193221 /nfs/dbraw/zinc/19/32/21/801193221.db2.gz GGUHUWRZWYJQLJ-ZWKOTPCHSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccccc3)C[C@@H]21 ZINC001041907358 801196022 /nfs/dbraw/zinc/19/60/22/801196022.db2.gz UMIMAKHXMJILLR-WMZOPIPTSA-N 1 1 298.430 3.189 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C(F)=C(C)C)C[C@H]21 ZINC001042004690 801199844 /nfs/dbraw/zinc/19/98/44/801199844.db2.gz CQPPVYFOAWUDFV-LSDHHAIUSA-N 1 1 294.414 3.139 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)C3(CC)CC3)C[C@H]21 ZINC001042223813 801203908 /nfs/dbraw/zinc/20/39/08/801203908.db2.gz GYLCQESASJKBRM-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[NH+]1CC(N(C)C(=O)C2(C3CCCCC3)CC2)C1 ZINC001044236027 801233094 /nfs/dbraw/zinc/23/30/94/801233094.db2.gz HFPCIXVBMZNTDO-UHFFFAOYSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1CCC1)C2 ZINC001045909622 801291677 /nfs/dbraw/zinc/29/16/77/801291677.db2.gz NVSTXSSSRNSLCK-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)/C(C)=C/C)C2 ZINC001045929716 801295400 /nfs/dbraw/zinc/29/54/00/801295400.db2.gz GLHBOQNFEJFANM-VIHDGPTJSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)c2ccc(C)cc2)C1 ZINC001046795198 801324969 /nfs/dbraw/zinc/32/49/69/801324969.db2.gz NMHSAAJPWSYMHC-GOSISDBHSA-N 1 1 286.419 3.155 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001046860972 801329880 /nfs/dbraw/zinc/32/98/80/801329880.db2.gz RABGJSXEBVFFKX-CRAIPNDOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccsc1 ZINC001049306681 801361866 /nfs/dbraw/zinc/36/18/66/801361866.db2.gz DCEKBKNHUXYHDX-LSDHHAIUSA-N 1 1 290.432 3.003 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccccc1C ZINC001049300532 801362661 /nfs/dbraw/zinc/36/26/61/801362661.db2.gz BYHXKKGHMPUXNY-ROUUACIJSA-N 1 1 298.430 3.250 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccsc1 ZINC001049306673 801362907 /nfs/dbraw/zinc/36/29/07/801362907.db2.gz DCEKBKNHUXYHDX-GJZGRUSLSA-N 1 1 290.432 3.003 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC(C)(C)C ZINC001049326207 801365147 /nfs/dbraw/zinc/36/51/47/801365147.db2.gz JYJYKAZMEUOVKT-HOTGVXAUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)CC ZINC001049693377 801383563 /nfs/dbraw/zinc/38/35/63/801383563.db2.gz YKZYRXONTJXVBJ-LSDHHAIUSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(CC)cc1 ZINC001049875936 801391637 /nfs/dbraw/zinc/39/16/37/801391637.db2.gz NKRDVJXRHRSYKX-ROUUACIJSA-N 1 1 298.430 3.114 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H](C)c1ccccc1 ZINC001049860287 801391917 /nfs/dbraw/zinc/39/19/17/801391917.db2.gz RTUKKKSPCSGMNL-NXHRZFHOSA-N 1 1 298.430 3.041 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H](C)C1CC1 ZINC001049923320 801392533 /nfs/dbraw/zinc/39/25/33/801392533.db2.gz USUCPUUEBSLCLZ-DJIMGWMZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(CC)CC ZINC001049910923 801393604 /nfs/dbraw/zinc/39/36/04/801393604.db2.gz WTAYIKRSJLPRIL-CVEARBPZSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C[C@@H]2C=CCC2)CC1 ZINC001052187742 801424439 /nfs/dbraw/zinc/42/44/39/801424439.db2.gz OZSCQCLZTYXKSU-CABCVRRESA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2oc(C)cc2C)CC1 ZINC001052289476 801429401 /nfs/dbraw/zinc/42/94/01/801429401.db2.gz ZZINOYLGPVOQQT-OAHLLOKOSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2csc(C)c2C)CC1 ZINC001052411732 801435404 /nfs/dbraw/zinc/43/54/04/801435404.db2.gz JTMMRHAYUBXAST-CQSZACIVSA-N 1 1 292.448 3.135 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C[C@H]2C=CCCC2)CC1 ZINC001052486146 801436295 /nfs/dbraw/zinc/43/62/95/801436295.db2.gz JDRYSASAQAAHAC-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2csc(C)c2)CC1 ZINC001052792148 801450736 /nfs/dbraw/zinc/45/07/36/801450736.db2.gz MBXXMXQDOYYKDU-OAHLLOKOSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccccc1)C2 ZINC001054075370 801470470 /nfs/dbraw/zinc/47/04/70/801470470.db2.gz HTVUQLSRQZPHES-LJQANCHMSA-N 1 1 298.430 3.191 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC1CCC1)C2 ZINC001054109810 801473881 /nfs/dbraw/zinc/47/38/81/801473881.db2.gz SQTDFMWIGKMIIS-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](F)CC)C2 ZINC001054176032 801477401 /nfs/dbraw/zinc/47/74/01/801477401.db2.gz ALYNHTBTBPMDLV-RDJZCZTQSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[C@@]2(CC[N@H+](CCC)C2)C1 ZINC001054192445 801479804 /nfs/dbraw/zinc/47/98/04/801479804.db2.gz YQFOMZRPYCLFFZ-ROUUACIJSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@H+]1Cc2ccc(CNC(=O)C3CCCC3)cc2C1 ZINC001054253317 801482223 /nfs/dbraw/zinc/48/22/23/801482223.db2.gz VHPZHWWCDMCOHS-UHFFFAOYSA-N 1 1 298.430 3.385 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1 ZINC001256553521 806915300 /nfs/dbraw/zinc/91/53/00/806915300.db2.gz HXVPDIPFWPWXLD-GGPKGHCWSA-N 1 1 296.458 3.385 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)CC2CCCC2)CC[C@@H]1C ZINC001071315325 801526280 /nfs/dbraw/zinc/52/62/80/801526280.db2.gz WCRPOEXEVGFCPO-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc(C)oc2C)CC[C@@H]1C ZINC001071333781 801529566 /nfs/dbraw/zinc/52/95/66/801529566.db2.gz BDAVOJFKPODJPH-WFASDCNBSA-N 1 1 290.407 3.055 20 30 CGEDMO C[C@@H]1C[C@H](N2CC[C@](C)(C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC001256561198 806916903 /nfs/dbraw/zinc/91/69/03/806916903.db2.gz WBDARGZBIWLQTA-BHIYHBOVSA-N 1 1 297.446 3.275 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C23CCC(CC2)C3)CC[C@@H]1C ZINC001071612257 801542894 /nfs/dbraw/zinc/54/28/94/801542894.db2.gz DWHLQBSUBUGNPR-UERKLNTKSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2(C)CC=CC2)CC[C@H]1C ZINC001071799839 801551305 /nfs/dbraw/zinc/55/13/05/801551305.db2.gz NVIKCQXAJUNXHK-CVEARBPZSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2occc2CC)CC[C@@H]1C ZINC001071800134 801551527 /nfs/dbraw/zinc/55/15/27/801551527.db2.gz RPDFSRQSEOXJNT-ZFWWWQNUSA-N 1 1 290.407 3.001 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)C2(C)CC=CC2)CC[C@@H]1C ZINC001071799842 801552539 /nfs/dbraw/zinc/55/25/39/801552539.db2.gz NVIKCQXAJUNXHK-JKSUJKDBSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CCC3CC3)C2)C1 ZINC001071803667 801555109 /nfs/dbraw/zinc/55/51/09/801555109.db2.gz PUCOPZWEXHAXBU-GDBMZVCRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C2(C)C(C)(C)C2(C)C)CC[C@H]1C ZINC001072115784 801565505 /nfs/dbraw/zinc/56/55/05/801565505.db2.gz CGLOMRCNYYXPFD-KGLIPLIRSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C1CCCCCC1 ZINC001085509374 801691885 /nfs/dbraw/zinc/69/18/85/801691885.db2.gz WKADAYLTUNFLBV-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)coc1C ZINC001085579901 801695093 /nfs/dbraw/zinc/69/50/93/801695093.db2.gz ZJYFQGINQACSCA-OAHLLOKOSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cscc1Cl ZINC001085658629 801697973 /nfs/dbraw/zinc/69/79/73/801697973.db2.gz WZEUDPZFBPIVCB-NSHDSACASA-N 1 1 298.839 3.124 20 30 CGEDMO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)ccc1C1CC1 ZINC001085740623 801700497 /nfs/dbraw/zinc/70/04/97/801700497.db2.gz XEHHZFCPGSBXRB-INIZCTEOSA-N 1 1 298.430 3.205 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)ccc1C1CC1 ZINC001085740623 801700503 /nfs/dbraw/zinc/70/05/03/801700503.db2.gz XEHHZFCPGSBXRB-INIZCTEOSA-N 1 1 298.430 3.205 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CCCCCCC1 ZINC001085715095 801700972 /nfs/dbraw/zinc/70/09/72/801700972.db2.gz BLCHBIWWQOGEPC-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CCCC)CC1 ZINC001085801707 801705752 /nfs/dbraw/zinc/70/57/52/801705752.db2.gz ADPQWQLRNLQNCC-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC[C@H](C)CC1 ZINC001085935510 801712276 /nfs/dbraw/zinc/71/22/76/801712276.db2.gz HFYKVZSMUDTRAK-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC(C)(C)C1 ZINC001085990033 801715982 /nfs/dbraw/zinc/71/59/82/801715982.db2.gz FWEPSNPGVZRLNK-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC(C)(C)C1 ZINC001085990035 801717479 /nfs/dbraw/zinc/71/74/79/801717479.db2.gz FWEPSNPGVZRLNK-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C(C)C)C(C)(C)[C@@H]21 ZINC001087274772 801748511 /nfs/dbraw/zinc/74/85/11/801748511.db2.gz WNBSCPKPBUIMTP-BZUAXINKSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C=C2CCC2)[C@H]1CC ZINC001087538273 801755240 /nfs/dbraw/zinc/75/52/40/801755240.db2.gz LNIZOPMZGNGNMS-JKSUJKDBSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2sccc2F)[C@H]1CC ZINC001087562101 801756888 /nfs/dbraw/zinc/75/68/88/801756888.db2.gz GABLZLDOAWMYMD-QWHCGFSZSA-N 1 1 296.411 3.046 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC23CC3)[C@H]1CC ZINC001087622808 801759102 /nfs/dbraw/zinc/75/91/02/801759102.db2.gz FWYGDBSRVNICGW-OWCLPIDISA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2(C)CCCC2)[C@H]1CC ZINC001087677108 801762272 /nfs/dbraw/zinc/76/22/72/801762272.db2.gz VYAHFOGXTDUFSA-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C2CC2)CC(C)(C)C1 ZINC001089351976 801835605 /nfs/dbraw/zinc/83/56/05/801835605.db2.gz PJSZFRSNTUTHCC-HOCLYGCPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC1(C)C ZINC001089630386 801846401 /nfs/dbraw/zinc/84/64/01/801846401.db2.gz HJAXZZYSCFIPCR-CABCVRRESA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)CCC)CC1 ZINC001093353006 801866911 /nfs/dbraw/zinc/86/69/11/801866911.db2.gz OVUZBGRCIBVWDO-KRWDZBQOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C)c1)C2 ZINC001095136960 801881047 /nfs/dbraw/zinc/88/10/47/801881047.db2.gz LLFJMAIHWKUHEL-SQNIBIBYSA-N 1 1 298.430 3.296 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1C=CCCC1)C2 ZINC001095607039 801884708 /nfs/dbraw/zinc/88/47/08/801884708.db2.gz NNCURWJZCWZSRP-NCOADZHNSA-N 1 1 288.435 3.030 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CC)cc1)C2 ZINC001096472025 801890168 /nfs/dbraw/zinc/89/01/68/801890168.db2.gz LWBHUFOOVPJBNF-SQNIBIBYSA-N 1 1 298.430 3.160 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCCCCC1)C2 ZINC001096868420 801895086 /nfs/dbraw/zinc/89/50/86/801895086.db2.gz XAEUPYPLUUVOBC-ZACQAIPSSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC1CC1 ZINC001098849301 801916982 /nfs/dbraw/zinc/91/69/82/801916982.db2.gz LBUMNVWDWJBQFG-AWEZNQCLSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC1CC1 ZINC001098849301 801916988 /nfs/dbraw/zinc/91/69/88/801916988.db2.gz LBUMNVWDWJBQFG-AWEZNQCLSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC(C)C ZINC001098868488 801917633 /nfs/dbraw/zinc/91/76/33/801917633.db2.gz PBPKUNGHAJDVJZ-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC1CCC1 ZINC001099001163 801924745 /nfs/dbraw/zinc/92/47/45/801924745.db2.gz QIVQSPRITDCWPY-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCCCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC ZINC001099170974 801930718 /nfs/dbraw/zinc/93/07/18/801930718.db2.gz MJWPZDYMOVAXNO-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](F)C(C)C ZINC001099176619 801932099 /nfs/dbraw/zinc/93/20/99/801932099.db2.gz QYKLUXDYMGXIRK-HUUCEWRRSA-N 1 1 298.446 3.163 20 30 CGEDMO C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)CC ZINC001099207306 801934076 /nfs/dbraw/zinc/93/40/76/801934076.db2.gz AMTXNPHLKKXGRG-HNNXBMFYSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)C[C@H](C)CCC)C[C@]2(C)C1 ZINC001101165351 801973832 /nfs/dbraw/zinc/97/38/32/801973832.db2.gz VEVBDURJGUNSLV-NUJGCVRESA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1C[N@@H+](CCCC(C)C)C[C@H]1C ZINC001101805016 801992634 /nfs/dbraw/zinc/99/26/34/801992634.db2.gz COEJNTXMYPWZGU-HZPDHXFCSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](CNC(=O)C[C@H](CC)CCCC)[C@H](C)C1 ZINC001102167249 802000444 /nfs/dbraw/zinc/00/04/44/802000444.db2.gz UVBQQSAYEMHDBW-BRWVUGGUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)CCCC2CC2)[C@H](C)C1 ZINC001102254134 802001247 /nfs/dbraw/zinc/00/12/47/802001247.db2.gz RMVNIOMZSVHERW-IUODEOHRSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C ZINC001102263006 802004148 /nfs/dbraw/zinc/00/41/48/802004148.db2.gz RQQZLXWQFBXRCK-BRWVUGGUSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@@H+](CC[C@H](C)F)C[C@H]1C ZINC001102410140 802006923 /nfs/dbraw/zinc/00/69/23/802006923.db2.gz MDQNBILGIQYTMS-QLFBSQMISA-N 1 1 298.446 3.021 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](CNC(=O)C[C@@H](CC)C(C)(C)C)[C@H](C)C1 ZINC001102510203 802010050 /nfs/dbraw/zinc/01/00/50/802010050.db2.gz RHCDNDXTDVDTPO-BZUAXINKSA-N 1 1 294.483 3.319 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(CC)CC)C1 ZINC001102681476 802017926 /nfs/dbraw/zinc/01/79/26/802017926.db2.gz PRNKGBYZQXKROF-GDBMZVCRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)/C=C\C(C)(C)C)C1 ZINC001102791502 802022640 /nfs/dbraw/zinc/02/26/40/802022640.db2.gz BWWUKRDLZVZWKO-JBILIXEDSA-N 1 1 292.467 3.239 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)CCCC)C1 ZINC001102935624 802023465 /nfs/dbraw/zinc/02/34/65/802023465.db2.gz OBINGGZXHCYKBL-BRWVUGGUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC(C)(C)C=C)C1 ZINC001103033542 802027717 /nfs/dbraw/zinc/02/77/17/802027717.db2.gz RLCBMNNOOAAEOG-HZPDHXFCSA-N 1 1 292.467 3.239 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)C(C)C)C1 ZINC001103489008 802035419 /nfs/dbraw/zinc/03/54/19/802035419.db2.gz CBJYHQDXFSUPII-IXDOHACOSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=C)Cl)CC2 ZINC001107319368 802085693 /nfs/dbraw/zinc/08/56/93/802085693.db2.gz MGROGRFRGUPUNB-GDBMZVCRSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)C[C@H](C)CC)CCC[C@@H]12 ZINC001107384270 802087604 /nfs/dbraw/zinc/08/76/04/802087604.db2.gz WQNDVWFHUABRJO-JFIYKMOQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)C3(C)CCCC3)CCC[C@@H]12 ZINC001107489249 802087852 /nfs/dbraw/zinc/08/78/52/802087852.db2.gz SKUSBPIUWJQUAP-CRAIPNDOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)C(F)=C(C)C)CCC[C@@H]12 ZINC001107363511 802088048 /nfs/dbraw/zinc/08/80/48/802088048.db2.gz DOHOYDJACLYXPN-RHSMWYFYSA-N 1 1 294.414 3.187 20 30 CGEDMO C=C(C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=C)C)CC2 ZINC001107424489 802088669 /nfs/dbraw/zinc/08/86/69/802088669.db2.gz QJLHYGWPYNVEKU-SJLPKXTDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)C)C2 ZINC001108933542 802104382 /nfs/dbraw/zinc/10/43/82/802104382.db2.gz TXHVKKSMNWIZEH-PMPSAXMXSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)C ZINC001109054926 802106824 /nfs/dbraw/zinc/10/68/24/802106824.db2.gz GTLDSGUIDTVMHE-PMPSAXMXSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCC1 ZINC001109058947 802107696 /nfs/dbraw/zinc/10/76/96/802107696.db2.gz QCINWQACQNLLQX-IKGGRYGDSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC1CC1)C2 ZINC001109104859 802107961 /nfs/dbraw/zinc/10/79/61/802107961.db2.gz RQCWVBPRIYJGFK-SIXLDLHFSA-N 1 1 290.451 3.253 20 30 CGEDMO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](C)CC ZINC001109657449 802120176 /nfs/dbraw/zinc/12/01/76/802120176.db2.gz PPVBIRBFGRSQPL-FZKCQIBNSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CC)CC1)C2 ZINC001109685079 802122482 /nfs/dbraw/zinc/12/24/82/802122482.db2.gz MCNYHPNAIWROLE-FZKCQIBNSA-N 1 1 290.451 3.253 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CC)CC1)C2 ZINC001109685080 802123551 /nfs/dbraw/zinc/12/35/51/802123551.db2.gz MCNYHPNAIWROLE-WCVJEAGWSA-N 1 1 290.451 3.253 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)CC(C)C)C2 ZINC001109944128 802127268 /nfs/dbraw/zinc/12/72/68/802127268.db2.gz BFYMNLFCCAOFIV-NCOADZHNSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CC)CCCCC1)C2 ZINC001110138378 802130929 /nfs/dbraw/zinc/13/09/29/802130929.db2.gz PIKKXDBQKQYFAV-PMPSAXMXSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)/C=C(\C)CC)C2 ZINC001110532734 802144153 /nfs/dbraw/zinc/14/41/53/802144153.db2.gz AQMRSLCZNUAVAQ-MDAVUQIRSA-N 1 1 276.424 3.030 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)CC(=C)C)C2 ZINC001110934602 802149890 /nfs/dbraw/zinc/14/98/90/802149890.db2.gz JIHAKIRPFICMMT-VQHPVUNQSA-N 1 1 290.451 3.276 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(C)C ZINC001111072613 802153973 /nfs/dbraw/zinc/15/39/73/802153973.db2.gz OPAKNKFVRCQWEL-OAGGEKHMSA-N 1 1 290.451 3.276 20 30 CGEDMO CCCCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC ZINC001111313524 802158010 /nfs/dbraw/zinc/15/80/10/802158010.db2.gz JAOPKJAZHULYLP-OAGGEKHMSA-N 1 1 280.456 3.478 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](CC)C(C)C)C2 ZINC001111296646 802158630 /nfs/dbraw/zinc/15/86/30/802158630.db2.gz QMEBSVCTSQTVOS-VQHPVUNQSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC)c1ccccc1 ZINC001111436784 802160407 /nfs/dbraw/zinc/16/04/07/802160407.db2.gz XLHQHOOFUPOWFR-XDNAFOTISA-N 1 1 298.430 3.088 20 30 CGEDMO C=C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C(C)C)c1ccccc1 ZINC001111443685 802160668 /nfs/dbraw/zinc/16/06/68/802160668.db2.gz SRYTVTUGLJQAIH-TVFCKZIOSA-N 1 1 298.430 3.086 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)/C=C/C(C)(C)C)C1 ZINC001111666487 802164212 /nfs/dbraw/zinc/16/42/12/802164212.db2.gz DBLDKYIVQUCKHU-BQCDODHWSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)CC)C1 ZINC001111727880 802167453 /nfs/dbraw/zinc/16/74/53/802167453.db2.gz NZXVHPPVUCXYIR-BQFCYCMXSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](C[C@H](F)CC)C2 ZINC001111765040 802168564 /nfs/dbraw/zinc/16/85/64/802168564.db2.gz RJGUIZRMGYSGFT-UXLLHSPISA-N 1 1 296.430 3.062 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC1(C)C ZINC001114142209 802238771 /nfs/dbraw/zinc/23/87/71/802238771.db2.gz CEUJZIXETMCMBO-QXSJWSMHSA-N 1 1 292.467 3.049 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)CC(C)(C)C ZINC001114882298 802247292 /nfs/dbraw/zinc/24/72/92/802247292.db2.gz DSZRATWDODOONO-AIANPOQGSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CCO[C@H]1CC[N@H+]([C@@H](C)c2cc(F)ccc2F)C1 ZINC001116542346 802374588 /nfs/dbraw/zinc/37/45/88/802374588.db2.gz RNKWRGFZCASNMF-AAEUAGOBSA-N 1 1 267.319 3.303 20 30 CGEDMO Cc1ccn2cc(C[N@H+](C)[C@@H](C)CCCC#N)nc2c1 ZINC001172501456 808356624 /nfs/dbraw/zinc/35/66/24/808356624.db2.gz DAALPGXOVJPSRW-AWEZNQCLSA-N 1 1 270.380 3.157 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](C)CC)C1 ZINC001270941554 808755185 /nfs/dbraw/zinc/75/51/85/808755185.db2.gz VLHYBIXMDQAAEP-NVXWUHKLSA-N 1 1 280.456 3.217 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2F)C1 ZINC001118578214 802585824 /nfs/dbraw/zinc/58/58/24/802585824.db2.gz XJVUCTSYEIRFRM-LLVKDONJSA-N 1 1 267.294 3.339 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2F)C1 ZINC001118578214 802585826 /nfs/dbraw/zinc/58/58/26/802585826.db2.gz XJVUCTSYEIRFRM-LLVKDONJSA-N 1 1 267.294 3.339 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC001119308515 802646757 /nfs/dbraw/zinc/64/67/57/802646757.db2.gz OXOGDRDZQPIBMO-UONOGXRCSA-N 1 1 262.401 3.003 20 30 CGEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC001180280729 809989370 /nfs/dbraw/zinc/98/93/70/809989370.db2.gz MHNRXFAQDRYBMA-CRAIPNDOSA-N 1 1 283.419 3.389 20 30 CGEDMO CS[C@@H]1CC[C@H]([N@@H+](C)CC#Cc2ccccc2)C1 ZINC001119929106 802708260 /nfs/dbraw/zinc/70/82/60/802708260.db2.gz JDKAJHRETPXTEB-JKSUJKDBSA-N 1 1 259.418 3.254 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCCC)C1 ZINC001120321680 802739585 /nfs/dbraw/zinc/73/95/85/802739585.db2.gz ZQUCJUTXZUIOJJ-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CCCF)C1 ZINC001120347249 802740259 /nfs/dbraw/zinc/74/02/59/802740259.db2.gz FQGSCGBKHRJNCO-CVEARBPZSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+]2CCF)C1 ZINC001120393488 802743825 /nfs/dbraw/zinc/74/38/25/802743825.db2.gz VPYKSDCSOKLDFM-CVEARBPZSA-N 1 1 296.430 3.015 20 30 CGEDMO Cc1ccc(N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C#N)n1 ZINC001120921178 802793299 /nfs/dbraw/zinc/79/32/99/802793299.db2.gz LWBHSZNJTDFPED-CABCVRRESA-N 1 1 298.434 3.327 20 30 CGEDMO COc1ccc(-c2ccc(C[N@@H+](C)C3CC3)cn2)c(C#N)c1 ZINC001243727239 802968065 /nfs/dbraw/zinc/96/80/65/802968065.db2.gz QAHZPMNRPULYEZ-UHFFFAOYSA-N 1 1 293.370 3.223 20 30 CGEDMO C[N@H+]1CCc2cc(C3=CC[C@@H](C#N)CC3)ccc2C1 ZINC001243793700 803011908 /nfs/dbraw/zinc/01/19/08/803011908.db2.gz NIQHLALJTNLPCA-CYBMUJFWSA-N 1 1 252.361 3.382 20 30 CGEDMO N#C[C@@H]1CC=C(c2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001243794353 803012825 /nfs/dbraw/zinc/01/28/25/803012825.db2.gz FLFDXCGTRCDDSD-OAHLLOKOSA-N 1 1 282.387 3.226 20 30 CGEDMO C=C(C)CCC(=O)NCC[NH2+][C@H](C)c1c(F)cccc1F ZINC001128418643 803190419 /nfs/dbraw/zinc/19/04/19/803190419.db2.gz QAZZVIYPNVOATC-GFCCVEGCSA-N 1 1 296.361 3.088 20 30 CGEDMO C[N@H+]1CC[C@@H](c2ccc(-c3ccc(N)c(C#N)c3)cc2)C1 ZINC001244116396 803194829 /nfs/dbraw/zinc/19/48/29/803194829.db2.gz JJNWKKZERZRIBB-MRXNPFEDSA-N 1 1 277.371 3.227 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccncc2C#N)nc1 ZINC001244332914 803309943 /nfs/dbraw/zinc/30/99/43/803309943.db2.gz HVFWJJCBOCFXIW-CQSZACIVSA-N 1 1 292.386 3.390 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)CC(C)(C)C)CC[C@H]1C ZINC001131839214 803349565 /nfs/dbraw/zinc/34/95/65/803349565.db2.gz OOSSQKQMLYISPU-HUUCEWRRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@H+]1C[C@H](NC(=O)CSC(C)C)CC[C@@H]1C ZINC001131866190 803353293 /nfs/dbraw/zinc/35/32/93/803353293.db2.gz VXOMTVQJGJDGKV-LSDHHAIUSA-N 1 1 298.496 3.063 20 30 CGEDMO C=CCCC[N@H+]1C[C@H](NC(=O)CSCCC)CC[C@@H]1C ZINC001131903551 803356230 /nfs/dbraw/zinc/35/62/30/803356230.db2.gz IWPPVIPDHQUACD-LSDHHAIUSA-N 1 1 298.496 3.065 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCCCCF)C1 ZINC001132073988 803372462 /nfs/dbraw/zinc/37/24/62/803372462.db2.gz ZBMUYJLWMOUIBV-JKSUJKDBSA-N 1 1 298.446 3.452 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C2(CC(C)C)CC2)CC[C@H]1C ZINC001132086955 803373324 /nfs/dbraw/zinc/37/33/24/803373324.db2.gz KYHHJNAXUJHETG-CVEARBPZSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CC2(C)CC2)CC[C@H]1C ZINC001132191248 803377782 /nfs/dbraw/zinc/37/77/82/803377782.db2.gz RQNFPLLLNSKDKS-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)C/C=C(\C)C=C)CC[C@H]1C ZINC001132225464 803381625 /nfs/dbraw/zinc/38/16/25/803381625.db2.gz XFLALPLQXBYFGE-DKXBRRKKSA-N 1 1 290.451 3.444 20 30 CGEDMO C=CCCC1(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC(=C)C)C2)CC1 ZINC001132277217 803391135 /nfs/dbraw/zinc/39/11/35/803391135.db2.gz CQPZKYPHQQSCLH-HOTGVXAUSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](C/C=C\Cl)C1 ZINC001132330316 803396193 /nfs/dbraw/zinc/39/61/93/803396193.db2.gz FMXNWBRMPRYRMX-FKVJTVNASA-N 1 1 298.858 3.310 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](C/C=C\Cl)C1 ZINC001132330316 803396198 /nfs/dbraw/zinc/39/61/98/803396198.db2.gz FMXNWBRMPRYRMX-FKVJTVNASA-N 1 1 298.858 3.310 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C(C)(C)CC=C)CC[C@@H]1C ZINC001132330078 803396430 /nfs/dbraw/zinc/39/64/30/803396430.db2.gz AODODMGVZMZIFK-LSDHHAIUSA-N 1 1 278.440 3.134 20 30 CGEDMO C[N@@H+](Cc1ccc(-c2cc(C#N)ccc2F)nc1)C1CC1 ZINC001244552731 803434641 /nfs/dbraw/zinc/43/46/41/803434641.db2.gz PVARSRNPQCAJFV-UHFFFAOYSA-N 1 1 281.334 3.354 20 30 CGEDMO C[C@@]1(F)CCCC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC001137115296 803684914 /nfs/dbraw/zinc/68/49/14/803684914.db2.gz HOKVYYPHEHRMSG-MRXNPFEDSA-N 1 1 276.355 3.303 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2c[nH]c3ccc(F)cc23)C1 ZINC001137340208 803718824 /nfs/dbraw/zinc/71/88/24/803718824.db2.gz VTCBDYWRISOFTA-GFCCVEGCSA-N 1 1 271.339 3.433 20 30 CGEDMO C=CC[N@H+](Cc1ccc(C(=O)OC)cc1OC)C(C)(C)C ZINC001137455034 803734628 /nfs/dbraw/zinc/73/46/28/803734628.db2.gz BRKYPWIBSVXZCX-UHFFFAOYSA-N 1 1 291.391 3.268 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2cccc3ncccc23)CC1 ZINC001137629297 803746683 /nfs/dbraw/zinc/74/66/83/803746683.db2.gz GPLBRASFOXDHGH-AWEZNQCLSA-N 1 1 265.360 3.360 20 30 CGEDMO C[N@@H+](Cc1ccc(-c2ccc(C#N)cc2)nc1)C1CC1 ZINC001245493469 803765417 /nfs/dbraw/zinc/76/54/17/803765417.db2.gz WNARYPQRVZBPQB-UHFFFAOYSA-N 1 1 263.344 3.214 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCCCC[C@H]2C)cc1OC ZINC001138346037 803899145 /nfs/dbraw/zinc/89/91/45/803899145.db2.gz VHRRDYPXCPTTKO-OAHLLOKOSA-N 1 1 287.403 3.472 20 30 CGEDMO CCc1cccc2c(C[N@@H+]3CC[C@@H](C#N)C3)c[nH]c21 ZINC001138366368 803905969 /nfs/dbraw/zinc/90/59/69/803905969.db2.gz VZEIAZJLXVPSEM-LBPRGKRZSA-N 1 1 253.349 3.076 20 30 CGEDMO CCc1cccc2c(C[N@H+]3CC[C@@H](C#N)C3)c[nH]c21 ZINC001138366368 803905977 /nfs/dbraw/zinc/90/59/77/803905977.db2.gz VZEIAZJLXVPSEM-LBPRGKRZSA-N 1 1 253.349 3.076 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc3cc(C)ccc3[nH]2)C1 ZINC001138420153 803926965 /nfs/dbraw/zinc/92/69/65/803926965.db2.gz PMXCDPOEBZTJGW-CQSZACIVSA-N 1 1 252.361 3.322 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(-c2ccc(OC)cc2)cc1 ZINC001138517027 803957845 /nfs/dbraw/zinc/95/78/45/803957845.db2.gz WMOUZSYSSMQFGC-UHFFFAOYSA-N 1 1 265.356 3.427 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)c1O ZINC001138625438 803982078 /nfs/dbraw/zinc/98/20/78/803982078.db2.gz KXFBYLSNVNTLIY-RHSMWYFYSA-N 1 1 287.403 3.122 20 30 CGEDMO C=CCc1cccc(C[N@H+]2C[C@@H](C)C[C@H]2CF)c1O ZINC001138625865 803983498 /nfs/dbraw/zinc/98/34/98/803983498.db2.gz VLXIPHHHOQBMID-WFASDCNBSA-N 1 1 263.356 3.301 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2CCC[C@@H](OC)CC2)c1O ZINC001138628379 803985060 /nfs/dbraw/zinc/98/50/60/803985060.db2.gz UASZHNIZCZOIGI-MRXNPFEDSA-N 1 1 275.392 3.122 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1CC[C@@H](C)[C@H](O)CC1 ZINC001138663578 803997620 /nfs/dbraw/zinc/99/76/20/803997620.db2.gz YRQQHTGRWNEHFO-NVXWUHKLSA-N 1 1 289.419 3.234 20 30 CGEDMO C=C(C)COc1ccccc1CN1CC[N@H+](CC)[C@H](C)C1 ZINC001138666817 804000462 /nfs/dbraw/zinc/00/04/62/804000462.db2.gz FFCQVAURLYJYEC-MRXNPFEDSA-N 1 1 288.435 3.168 20 30 CGEDMO CCCCCCCCCC[C@@H](O)CNC12CC([NH3+])(C1)C2 ZINC001246012870 804099252 /nfs/dbraw/zinc/09/92/52/804099252.db2.gz CBQKEKMVYYLKRK-KLAILNCOSA-N 1 1 282.472 3.102 20 30 CGEDMO CCCCCCCCCC[C@H](O)CN1CCC2(C[NH2+]C2)C1 ZINC001246029842 804102847 /nfs/dbraw/zinc/10/28/47/804102847.db2.gz WMSVYLBLVSHCSM-KRWDZBQOSA-N 1 1 296.499 3.173 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[N@@H+]1CCC[C@@H]1CN ZINC001246062842 804104937 /nfs/dbraw/zinc/10/49/37/804104937.db2.gz JTUPNRDHUKMDKH-SJORKVTESA-N 1 1 284.488 3.301 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[N@H+]1CCC[C@@H]1CN ZINC001246062842 804104941 /nfs/dbraw/zinc/10/49/41/804104941.db2.gz JTUPNRDHUKMDKH-SJORKVTESA-N 1 1 284.488 3.301 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+]1CCNC[C@H]1CCC ZINC001246053821 804104986 /nfs/dbraw/zinc/10/49/86/804104986.db2.gz VIRLKVYFLGRVDA-SJORKVTESA-N 1 1 284.488 3.172 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCNC[C@H]1CCC ZINC001246053821 804104988 /nfs/dbraw/zinc/10/49/88/804104988.db2.gz VIRLKVYFLGRVDA-SJORKVTESA-N 1 1 284.488 3.172 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[N@@H+]1C[C@@H](N)C[C@H]1C ZINC001246066087 804106875 /nfs/dbraw/zinc/10/68/75/804106875.db2.gz RAJYTTYBDSWHJO-IXDOHACOSA-N 1 1 284.488 3.300 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](CF)C1 ZINC001139029787 804113849 /nfs/dbraw/zinc/11/38/49/804113849.db2.gz NVKPPRMHXQFYMB-AWEZNQCLSA-N 1 1 263.356 3.433 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1C[C@@H]2CCCC(=O)[C@H]2C1 ZINC001139030239 804114691 /nfs/dbraw/zinc/11/46/91/804114691.db2.gz BAZDBMJDOMWEES-HOCLYGCPSA-N 1 1 285.387 3.052 20 30 CGEDMO CCCCCCCC[C@H](CC)[NH2+][C@@H]1CNC[C@H]1F ZINC001246132657 804157294 /nfs/dbraw/zinc/15/72/94/804157294.db2.gz ZTNPXVPYQJNPKJ-RRFJBIMHSA-N 1 1 258.425 3.415 20 30 CGEDMO C#CC[N@@H+](C)Cc1ccc(OC)cc1OCc1ccccc1 ZINC001139560570 804210779 /nfs/dbraw/zinc/21/07/79/804210779.db2.gz PGRMMSXXNYLERC-UHFFFAOYSA-N 1 1 295.382 3.339 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(OC)cc1OCc1ccccc1 ZINC001139560570 804210786 /nfs/dbraw/zinc/21/07/86/804210786.db2.gz PGRMMSXXNYLERC-UHFFFAOYSA-N 1 1 295.382 3.339 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2ccc(-c3cccnc3)cc2)C1 ZINC001139648377 804243878 /nfs/dbraw/zinc/24/38/78/804243878.db2.gz SSXQHZKNETZOIG-INIZCTEOSA-N 1 1 277.371 3.484 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccc(-c3cccnc3)cc2)C1 ZINC001139648377 804243886 /nfs/dbraw/zinc/24/38/86/804243886.db2.gz SSXQHZKNETZOIG-INIZCTEOSA-N 1 1 277.371 3.484 20 30 CGEDMO Cc1nc2cc(C)ccn2c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001139676653 804250432 /nfs/dbraw/zinc/25/04/32/804250432.db2.gz HFUPTIAFQHGBJE-HNNXBMFYSA-N 1 1 282.391 3.077 20 30 CGEDMO N#Cc1cccc2c(C[N@@H+](CC3CC3)C3CC3)c[nH]c21 ZINC001139706650 804260252 /nfs/dbraw/zinc/26/02/52/804260252.db2.gz CRVXGZSWDKWQBR-UHFFFAOYSA-N 1 1 265.360 3.414 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1c[nH]c2c1cccc2C#N ZINC001139703197 804260557 /nfs/dbraw/zinc/26/05/57/804260557.db2.gz LHHZIWUKXWGKGS-UHFFFAOYSA-N 1 1 266.348 3.165 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1c[nH]c2c1cccc2C#N ZINC001139703197 804260564 /nfs/dbraw/zinc/26/05/64/804260564.db2.gz LHHZIWUKXWGKGS-UHFFFAOYSA-N 1 1 266.348 3.165 20 30 CGEDMO CO[C@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(C)c(C#N)c3)C[C@@H]21 ZINC001139724481 804267033 /nfs/dbraw/zinc/26/70/33/804267033.db2.gz SYQBUFFHDDDEAA-NJAFHUGGSA-N 1 1 284.403 3.114 20 30 CGEDMO CCCCCCCCCC[C@@H](C)[NH2+][C@H]1CCNC[C@@H]1O ZINC001246307204 804270446 /nfs/dbraw/zinc/27/04/46/804270446.db2.gz DEJUUZREIOYSIW-IKGGRYGDSA-N 1 1 284.488 3.218 20 30 CGEDMO N#CC1(c2ccccc2)CC[NH+](Cc2ccnc(F)c2)CC1 ZINC001139830628 804293764 /nfs/dbraw/zinc/29/37/64/804293764.db2.gz HHHBUIOLZPAUGB-UHFFFAOYSA-N 1 1 295.361 3.278 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001139869653 804303127 /nfs/dbraw/zinc/30/31/27/804303127.db2.gz OQKOGDUJXUHGQL-ZSHCYNCHSA-N 1 1 280.456 3.025 20 30 CGEDMO C[N@H+](Cc1cccc(O)c1)Cc1cc(F)cc(C#N)c1 ZINC001139873185 804306400 /nfs/dbraw/zinc/30/64/00/804306400.db2.gz DNEPRTDQSHJSGO-UHFFFAOYSA-N 1 1 270.307 3.035 20 30 CGEDMO C[N@@H+](Cc1cccc(O)c1)Cc1cc(F)cc(C#N)c1 ZINC001139873185 804306410 /nfs/dbraw/zinc/30/64/10/804306410.db2.gz DNEPRTDQSHJSGO-UHFFFAOYSA-N 1 1 270.307 3.035 20 30 CGEDMO Cc1[nH+]ccn1-c1ccccc1CN1CCCC[C@H]1C#N ZINC001140026573 804354148 /nfs/dbraw/zinc/35/41/48/804354148.db2.gz MHQYPYBCYSQWCD-INIZCTEOSA-N 1 1 280.375 3.059 20 30 CGEDMO CC[C@@H]1CCC[N@H+]1Cc1c[nH]c2ccc(C#N)cc12 ZINC001140113836 804381379 /nfs/dbraw/zinc/38/13/79/804381379.db2.gz FGKMVFBTYROHTB-CQSZACIVSA-N 1 1 253.349 3.414 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@H](C#N)CC2)ccc1C ZINC001140159784 804392069 /nfs/dbraw/zinc/39/20/69/804392069.db2.gz ZIEYOXKTEQBDAZ-AWEZNQCLSA-N 1 1 258.365 3.129 20 30 CGEDMO CCCCCCC[C@@H](CC(C)C)[N@H+]1CC[C@@H](O)[C@H](N)C1 ZINC001246571892 804419530 /nfs/dbraw/zinc/41/95/30/804419530.db2.gz IPCJSYOESLHUFZ-GVDBMIGSSA-N 1 1 284.488 3.156 20 30 CGEDMO CCCCCCC[C@@H](CC(C)C)N1CC[C@@H](O)[C@H]([NH3+])C1 ZINC001246571892 804419534 /nfs/dbraw/zinc/41/95/34/804419534.db2.gz IPCJSYOESLHUFZ-GVDBMIGSSA-N 1 1 284.488 3.156 20 30 CGEDMO C[C@H]1CC[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)CCN1 ZINC001246592082 804434166 /nfs/dbraw/zinc/43/41/66/804434166.db2.gz FIYLZDNEPXACMG-MNNVXMFVSA-N 1 1 297.446 3.268 20 30 CGEDMO C[C@H]1CCN(C2CCC(c3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC001246592082 804434168 /nfs/dbraw/zinc/43/41/68/804434168.db2.gz FIYLZDNEPXACMG-MNNVXMFVSA-N 1 1 297.446 3.268 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CCNC[C@@H]1COC ZINC001246597051 804436884 /nfs/dbraw/zinc/43/68/84/804436884.db2.gz QWZFHROJQZSQSM-JKSUJKDBSA-N 1 1 270.461 3.046 20 30 CGEDMO CCCCCCC[C@H](CC)N1CC[NH2+]C[C@@H]1COC ZINC001246597051 804436888 /nfs/dbraw/zinc/43/68/88/804436888.db2.gz QWZFHROJQZSQSM-JKSUJKDBSA-N 1 1 270.461 3.046 20 30 CGEDMO CCCCCCCCC[C@@H](C)[N@@H+]1CCOC2(CNC2)C1 ZINC001246619097 804454181 /nfs/dbraw/zinc/45/41/81/804454181.db2.gz HMUFGLJFUNSQMY-MRXNPFEDSA-N 1 1 282.472 3.190 20 30 CGEDMO CCCCCCCCC[C@@H](C)[N@H+]1CCOC2(CNC2)C1 ZINC001246619097 804454182 /nfs/dbraw/zinc/45/41/82/804454182.db2.gz HMUFGLJFUNSQMY-MRXNPFEDSA-N 1 1 282.472 3.190 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2cccc(F)c2)cn1 ZINC001140544540 804458469 /nfs/dbraw/zinc/45/84/69/804458469.db2.gz SQYJJMDTSHWBGQ-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)cn1 ZINC001140544540 804458472 /nfs/dbraw/zinc/45/84/72/804458472.db2.gz SQYJJMDTSHWBGQ-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)cn1 ZINC001140543606 804458801 /nfs/dbraw/zinc/45/88/01/804458801.db2.gz CSUNHLIBKAKSTH-GOEBONIOSA-N 1 1 255.365 3.108 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cccc3ccncc32)C1 ZINC001140643773 804483190 /nfs/dbraw/zinc/48/31/90/804483190.db2.gz LOZOKUDBWNUZGN-CQSZACIVSA-N 1 1 265.360 3.360 20 30 CGEDMO Cc1cc(C[N@H+]2CCc3cc(C#N)ccc3C2)cc(C)c1O ZINC001140657971 804485795 /nfs/dbraw/zinc/48/57/95/804485795.db2.gz HVSVANXIZZQJNE-UHFFFAOYSA-N 1 1 292.382 3.439 20 30 CGEDMO CCCCCCCCC[C@@H](C)[N@H+]1C[C@@H]2COC[C@H](C1)N2 ZINC001246674145 804489496 /nfs/dbraw/zinc/48/94/96/804489496.db2.gz NXQSCXKLVOXQIP-ZACQAIPSSA-N 1 1 282.472 3.188 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cc(F)c(C#N)c(F)c2)C2(CC2)C1 ZINC001140757300 804506640 /nfs/dbraw/zinc/50/66/40/804506640.db2.gz YBDAGQSPYIIYQQ-JTQLQIEISA-N 1 1 262.303 3.211 20 30 CGEDMO C[N@H+](Cc1cc(F)c(C#N)c(F)c1)CC1CC(F)(F)C1 ZINC001140754739 804506861 /nfs/dbraw/zinc/50/68/61/804506861.db2.gz JZCRGRRYVVWEJP-UHFFFAOYSA-N 1 1 286.272 3.314 20 30 CGEDMO COCCC1CC[NH+](Cc2cc(F)c(C#N)c(F)c2)CC1 ZINC001140754207 804506959 /nfs/dbraw/zinc/50/69/59/804506959.db2.gz QKHOMXVVBLBJIZ-UHFFFAOYSA-N 1 1 294.345 3.085 20 30 CGEDMO N#CCC[N@@H+](Cc1c[nH]c2ccncc12)C1CCCC1 ZINC001140803147 804520126 /nfs/dbraw/zinc/52/01/26/804520126.db2.gz LPPIQLFOKIKQKX-UHFFFAOYSA-N 1 1 268.364 3.221 20 30 CGEDMO CC1(C#N)CCN([C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256919397 807012467 /nfs/dbraw/zinc/01/24/67/807012467.db2.gz DPCSVHISHLBIOI-MRXNPFEDSA-N 1 1 275.440 3.019 20 30 CGEDMO C[N@@H+](Cc1c[nH]c2ccncc12)Cc1ccc(C#N)cc1 ZINC001140803742 804523876 /nfs/dbraw/zinc/52/38/76/804523876.db2.gz VBMXVLGOTGMMBD-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO N#CC1CCC([N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)CC1 ZINC001256964298 807018820 /nfs/dbraw/zinc/01/88/20/807018820.db2.gz UBBRFDBJUKOORN-UNTZMWQOSA-N 1 1 254.324 3.046 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2sc(N)c(C#N)c2Cl)CC1 ZINC001141106828 804589927 /nfs/dbraw/zinc/58/99/27/804589927.db2.gz JFWHTWMVDWSURB-SECBINFHSA-N 1 1 283.828 3.477 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141109300 804592519 /nfs/dbraw/zinc/59/25/19/804592519.db2.gz PMCZKVUCIIGDDR-MRVPVSSYSA-N 1 1 269.801 3.087 20 30 CGEDMO CCCCCCCC[C@@H](CC)[N@H+]1CC[C@@](N)(C(=O)OC)C1 ZINC001246924006 804604298 /nfs/dbraw/zinc/60/42/98/804604298.db2.gz LBODVGSRMDNKPS-WBVHZDCISA-N 1 1 298.471 3.092 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cnc(C(F)(F)F)nc1 ZINC001141464615 804643915 /nfs/dbraw/zinc/64/39/15/804643915.db2.gz CRTAFGIIQUTLTL-UHFFFAOYSA-N 1 1 273.302 3.284 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc3cc(F)ccc3n2)C1 ZINC001141648816 804661093 /nfs/dbraw/zinc/66/10/93/804661093.db2.gz GOCVJBSRXYZWIK-CYBMUJFWSA-N 1 1 268.335 3.219 20 30 CGEDMO C[Si](C)(C)c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1 ZINC001141732689 804665242 /nfs/dbraw/zinc/66/52/42/804665242.db2.gz PFMJVPLPBIGOHK-OSYLJGHBSA-N 1 1 298.506 3.498 20 30 CGEDMO C=CC[N@H+](Cc1ccc(COC(C)=O)o1)C(C)(C)C ZINC001141793816 804670083 /nfs/dbraw/zinc/67/00/83/804670083.db2.gz JMDUCGPYSADZNY-UHFFFAOYSA-N 1 1 265.353 3.129 20 30 CGEDMO CSc1nc(C[N@H+]2CCC[C@@H]2C(C)C)ccc1C#N ZINC001141943572 804682469 /nfs/dbraw/zinc/68/24/69/804682469.db2.gz AHZWDSANPRYAAX-CQSZACIVSA-N 1 1 275.421 3.296 20 30 CGEDMO C#CC[C@@H]([NH3+])c1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC001247610031 804779837 /nfs/dbraw/zinc/77/98/37/804779837.db2.gz RWRGGVYYROEVIP-CYBMUJFWSA-N 1 1 269.348 3.057 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cc(F)c(F)cc2C)no1 ZINC001247622729 804783032 /nfs/dbraw/zinc/78/30/32/804783032.db2.gz RFWXTVBROPAKJA-GFCCVEGCSA-N 1 1 279.290 3.289 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cccc(OC3CC3)c2)no1 ZINC001247622175 804783361 /nfs/dbraw/zinc/78/33/61/804783361.db2.gz HTGCWYCQHRTQFK-CQSZACIVSA-N 1 1 285.347 3.244 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2ccc3c(ccn3C)c2)no1 ZINC001247622728 804783448 /nfs/dbraw/zinc/78/34/48/804783448.db2.gz NRFXBRLGKRPJEV-CYBMUJFWSA-N 1 1 282.347 3.194 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2cc(C)c(F)cc2F)no1 ZINC001247621978 804783596 /nfs/dbraw/zinc/78/35/96/804783596.db2.gz CHSOOMARRVWPGB-LBPRGKRZSA-N 1 1 279.290 3.289 20 30 CGEDMO CC[C@H]1CCC[N@H+]1Cc1c[nH]c2cc(C#N)ccc12 ZINC001142921793 804784945 /nfs/dbraw/zinc/78/49/45/804784945.db2.gz VSLAISROJDQTJE-AWEZNQCLSA-N 1 1 253.349 3.414 20 30 CGEDMO CC1(C)CC[NH+](Cc2c(F)ccc(C#N)c2F)CC1 ZINC001143170773 804814189 /nfs/dbraw/zinc/81/41/89/804814189.db2.gz KATAHAVGCDSILZ-UHFFFAOYSA-N 1 1 264.319 3.458 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+](CC2CC2)C2CC2)c1F ZINC001143176215 804816816 /nfs/dbraw/zinc/81/68/16/804816816.db2.gz WAJPIICFUYGVRF-UHFFFAOYSA-N 1 1 262.303 3.211 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+](CC2CC2)C2CC2)c1F ZINC001143176215 804816824 /nfs/dbraw/zinc/81/68/24/804816824.db2.gz WAJPIICFUYGVRF-UHFFFAOYSA-N 1 1 262.303 3.211 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2ccc(OCCC)cc2)no1 ZINC001247963362 804856981 /nfs/dbraw/zinc/85/69/81/804856981.db2.gz ORIPJRJHIJTJRW-ZDUSSCGKSA-N 1 1 273.336 3.101 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2cccc(F)c2Cl)no1 ZINC001247966726 804859157 /nfs/dbraw/zinc/85/91/57/804859157.db2.gz FGOMELMDUQUAEI-VIFPVBQESA-N 1 1 267.691 3.105 20 30 CGEDMO C[C@@H]1C[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)CCN1C ZINC001257018667 807029120 /nfs/dbraw/zinc/02/91/20/807029120.db2.gz AJUYFUJTZRJWQD-VNCLNFNDSA-N 1 1 297.446 3.220 20 30 CGEDMO C=CC[N@@H+](Cc1cc[nH]c1C(=O)OCC)Cc1ccccc1 ZINC001144340475 804976955 /nfs/dbraw/zinc/97/69/55/804976955.db2.gz IXGVGEGMIABBJC-UHFFFAOYSA-N 1 1 298.386 3.380 20 30 CGEDMO C=CC[N@H+](Cc1cc[nH]c1C(=O)OCC)Cc1ccccc1 ZINC001144340475 804976958 /nfs/dbraw/zinc/97/69/58/804976958.db2.gz IXGVGEGMIABBJC-UHFFFAOYSA-N 1 1 298.386 3.380 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCC2(C1)CCOCC2 ZINC001248751445 804984294 /nfs/dbraw/zinc/98/42/94/804984294.db2.gz XAUDAJABCIZWGW-UHFFFAOYSA-N 1 1 284.403 3.123 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001248752019 804984426 /nfs/dbraw/zinc/98/44/26/804984426.db2.gz TYDJROQHDMOOKD-OAHLLOKOSA-N 1 1 276.330 3.352 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccc(F)c3cc[nH]c32)C1 ZINC001248816938 805004491 /nfs/dbraw/zinc/00/44/91/805004491.db2.gz BUICBJBASRNYRC-LBPRGKRZSA-N 1 1 271.339 3.433 20 30 CGEDMO C#CC1CC[NH+](Cc2cc(F)c(F)cc2Cl)CC1 ZINC001144729206 805042741 /nfs/dbraw/zinc/04/27/41/805042741.db2.gz DTOCCQCOZXEYDP-UHFFFAOYSA-N 1 1 269.722 3.463 20 30 CGEDMO CCCCCC[N@@H+](C)CC(=O)N(CCC#N)CC(C)(C)C ZINC001144730444 805044016 /nfs/dbraw/zinc/04/40/16/805044016.db2.gz RELKELXFLDJDLR-UHFFFAOYSA-N 1 1 295.471 3.287 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)CCCC)C2)C1 ZINC001147022229 805104974 /nfs/dbraw/zinc/10/49/74/805104974.db2.gz ZYSGLQQBVMYTDR-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2cc3ccc(C#N)cc3[nH]2)C1 ZINC001249426089 805144183 /nfs/dbraw/zinc/14/41/83/805144183.db2.gz DKRSZNFCYPPXEP-GFCCVEGCSA-N 1 1 253.349 3.271 20 30 CGEDMO Cc1ccc(C[N@H+](C)Cc2cc3ccc(C#N)cc3[nH]2)cn1 ZINC001249430492 805148251 /nfs/dbraw/zinc/14/82/51/805148251.db2.gz URGQNMUORHMQSS-UHFFFAOYSA-N 1 1 290.370 3.375 20 30 CGEDMO Cc1ccc(C[N@@H+](C)Cc2cc3ccc(C#N)cc3[nH]2)cn1 ZINC001249430492 805148260 /nfs/dbraw/zinc/14/82/60/805148260.db2.gz URGQNMUORHMQSS-UHFFFAOYSA-N 1 1 290.370 3.375 20 30 CGEDMO N#Cc1ccc2cc(C[N@H+]3CC[C@@]4(C3)CCCOC4)[nH]c2c1 ZINC001249429755 805148458 /nfs/dbraw/zinc/14/84/58/805148458.db2.gz OLAKIGVESCRABZ-GOSISDBHSA-N 1 1 295.386 3.042 20 30 CGEDMO CC(C)(C)c1c[nH]c(C[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC001249479212 805157229 /nfs/dbraw/zinc/15/72/29/805157229.db2.gz SRUSZXKNGJTNPH-ZDUSSCGKSA-N 1 1 259.397 3.438 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cnc(Br)cn1 ZINC001249493459 805161038 /nfs/dbraw/zinc/16/10/38/805161038.db2.gz PGFZECHWDUPKHW-UHFFFAOYSA-N 1 1 284.201 3.027 20 30 CGEDMO C=C[C@@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@H+](CCC(C)C)C2 ZINC001148095662 805162870 /nfs/dbraw/zinc/16/28/70/805162870.db2.gz NAQWHGHFCDDFFH-CVEARBPZSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCCCC(=O)N1CC2(C1)CC[N@@H+](Cc1ccccc1)C2 ZINC001148193755 805167669 /nfs/dbraw/zinc/16/76/69/805167669.db2.gz HWDXVHRMXUBBHK-UHFFFAOYSA-N 1 1 298.430 3.077 20 30 CGEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)[C@H](CC)CC(C)C)C2)C1 ZINC001148568293 805195604 /nfs/dbraw/zinc/19/56/04/805195604.db2.gz QDQHXZMVTHXQLB-MRXNPFEDSA-N 1 1 292.467 3.169 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1F)C[C@@H]1Cc2ccccc2O1 ZINC001249692629 805214971 /nfs/dbraw/zinc/21/49/71/805214971.db2.gz AAHVWJQSEFBXIX-INIZCTEOSA-N 1 1 296.345 3.133 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1F)C[C@@H]1Cc2ccccc2O1 ZINC001249692629 805214977 /nfs/dbraw/zinc/21/49/77/805214977.db2.gz AAHVWJQSEFBXIX-INIZCTEOSA-N 1 1 296.345 3.133 20 30 CGEDMO Cc1cc(Nc2ccc(C#N)cc2Cl)c[nH+]c1N ZINC001249785204 805246312 /nfs/dbraw/zinc/24/63/12/805246312.db2.gz ZTZFKFMEPZUXEH-UHFFFAOYSA-N 1 1 258.712 3.241 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(C)s1 ZINC001151631514 805303503 /nfs/dbraw/zinc/30/35/03/805303503.db2.gz GWEBDRVFMWDMNY-CYBMUJFWSA-N 1 1 294.464 3.463 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)c1cccs1 ZINC001151660003 805305255 /nfs/dbraw/zinc/30/52/55/805305255.db2.gz RTCBGGXQYBJQIL-CYBMUJFWSA-N 1 1 280.437 3.155 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)CCc1ccco1 ZINC001151841242 805316377 /nfs/dbraw/zinc/31/63/77/805316377.db2.gz CFAPJDCXLSYZNA-OAHLLOKOSA-N 1 1 292.423 3.005 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)CCC ZINC001152309192 805343978 /nfs/dbraw/zinc/34/39/78/805343978.db2.gz YBBOHRNRMWNISA-LSDHHAIUSA-N 1 1 268.445 3.215 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)C1C(C)(C)C1(C)C ZINC001152611853 805357980 /nfs/dbraw/zinc/35/79/80/805357980.db2.gz MXJPAQPHZFOPRY-CQSZACIVSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)CCCC ZINC001153090703 805383194 /nfs/dbraw/zinc/38/31/94/805383194.db2.gz NQCPHVNDHNBWOC-HUUCEWRRSA-N 1 1 268.445 3.215 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)C(C)=C1CCC1 ZINC001153241294 805389377 /nfs/dbraw/zinc/38/93/77/805389377.db2.gz WQAOSUKYDFMHMD-CQSZACIVSA-N 1 1 278.440 3.280 20 30 CGEDMO CC/C=C/CC[N@@H+](CC)[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001153260686 805390880 /nfs/dbraw/zinc/39/08/80/805390880.db2.gz ZHVFDUTZQJUJOJ-ZNFPLGDCSA-N 1 1 292.467 3.219 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1cccc(Cl)c1C ZINC001153506755 805399785 /nfs/dbraw/zinc/39/97/85/805399785.db2.gz CJEXXFREJRIABM-GFCCVEGCSA-N 1 1 294.826 3.275 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@]1(C)CC=CCC1 ZINC001153567362 805403254 /nfs/dbraw/zinc/40/32/54/805403254.db2.gz WFVRJQHAGQNQHS-WBVHZDCISA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)CC(C)C ZINC001153598697 805405551 /nfs/dbraw/zinc/40/55/51/805405551.db2.gz DEQSOAMGPKXYIF-GFCCVEGCSA-N 1 1 288.863 3.248 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1ccccc1C(C)C ZINC001153739019 805413297 /nfs/dbraw/zinc/41/32/97/805413297.db2.gz TXZMOSWNFJZFMA-OAHLLOKOSA-N 1 1 288.435 3.436 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC=CCCC1 ZINC001153990741 805424371 /nfs/dbraw/zinc/42/43/71/805424371.db2.gz QKNGWQBPYWDYLV-HZPDHXFCSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001154415064 805454648 /nfs/dbraw/zinc/45/46/48/805454648.db2.gz HIAZAMCRSWMJBZ-WCXIOVBPSA-N 1 1 292.467 3.215 20 30 CGEDMO C#CCCCCCC(=O)NC[C@@H](C)[N@H+](CC)C[C@H](C)CC ZINC001154609534 805467581 /nfs/dbraw/zinc/46/75/81/805467581.db2.gz LSEFBMPXWUBUHD-IAGOWNOFSA-N 1 1 294.483 3.443 20 30 CGEDMO C#CCCCCCC(=O)NC[C@@H](C)[N@@H+](CC)CC[C@H](C)F ZINC001154609296 805468120 /nfs/dbraw/zinc/46/81/20/805468120.db2.gz ARMFDOWVFDGIAQ-JKSUJKDBSA-N 1 1 298.446 3.145 20 30 CGEDMO CC#CCCCC(=O)NC[C@@H](C)[N@H+](CC)CC/C=C/CC ZINC001154747772 805483575 /nfs/dbraw/zinc/48/35/75/805483575.db2.gz WAPPLAFYNFBRNE-QXLXQBSBSA-N 1 1 292.467 3.363 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1ccc(F)c(C)c1 ZINC001154932315 805509466 /nfs/dbraw/zinc/50/94/66/805509466.db2.gz ARSABOOSEATNKP-CQSZACIVSA-N 1 1 292.398 3.150 20 30 CGEDMO C=CCCCC(=O)NC[C@@H](C)[N@@H+](CC)CCCC=C ZINC001154927220 805509682 /nfs/dbraw/zinc/50/96/82/805509682.db2.gz JMBGGBGJAPWWLN-OAHLLOKOSA-N 1 1 266.429 3.136 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)CC ZINC001154932942 805510221 /nfs/dbraw/zinc/51/02/21/805510221.db2.gz SJQSVCMONVVHLJ-CQSZACIVSA-N 1 1 268.445 3.215 20 30 CGEDMO CC(C)([NH2+]CC1(C#N)CCC1)c1ccnc(Cl)c1 ZINC001154996828 805521549 /nfs/dbraw/zinc/52/15/49/805521549.db2.gz IWUXAHJQROREFQ-UHFFFAOYSA-N 1 1 263.772 3.254 20 30 CGEDMO Cc1nc(C[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)no1 ZINC001257010313 807026718 /nfs/dbraw/zinc/02/67/18/807026718.db2.gz XRLZENXOIZJYKP-UHFFFAOYSA-N 1 1 296.374 3.066 20 30 CGEDMO COc1cc(N2CCC[C@H](CC#N)C2)[nH+]c2ccccc21 ZINC001166743423 807091057 /nfs/dbraw/zinc/09/10/57/807091057.db2.gz RVTWOCXQAPYCTO-CYBMUJFWSA-N 1 1 281.359 3.373 20 30 CGEDMO CCCCOC(=O)CC[C@@H](C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC001257399516 807136777 /nfs/dbraw/zinc/13/67/77/807136777.db2.gz DAVQOGALRROCLP-CABCVRRESA-N 1 1 280.412 3.124 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@H](c3ccncn3)C2)cc1C#N ZINC001167101347 807149979 /nfs/dbraw/zinc/14/99/79/807149979.db2.gz VVLDSQFFDXEXAF-INIZCTEOSA-N 1 1 292.386 3.036 20 30 CGEDMO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1cc(C#N)ccn1 ZINC001167310521 807179883 /nfs/dbraw/zinc/17/98/83/807179883.db2.gz VKVADSARIMCMEC-QGZVFWFLSA-N 1 1 293.370 3.299 20 30 CGEDMO COc1ccccc1[C@H]1CCC[N@H+]1Cc1cc(C#N)ccn1 ZINC001167310521 807179885 /nfs/dbraw/zinc/17/98/85/807179885.db2.gz VKVADSARIMCMEC-QGZVFWFLSA-N 1 1 293.370 3.299 20 30 CGEDMO C#CC[N@H+](CC)C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC001167578056 807207749 /nfs/dbraw/zinc/20/77/49/807207749.db2.gz WXXZOHNXFIXXDF-IRXDYDNUSA-N 1 1 257.377 3.252 20 30 CGEDMO C[C@H]1c2ccccc2CC[N@@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001167628298 807218900 /nfs/dbraw/zinc/21/89/00/807218900.db2.gz BPGCOJPJWOBTSO-LIRRHRJNSA-N 1 1 292.382 3.211 20 30 CGEDMO CC(C)OC1CCC([N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC1 ZINC001257883359 807236529 /nfs/dbraw/zinc/23/65/29/807236529.db2.gz YHZMRGJRGLVMGG-RXURYVNASA-N 1 1 276.424 3.489 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCCNc1cc(C#N)c(Cl)cn1 ZINC001167751479 807240376 /nfs/dbraw/zinc/24/03/76/807240376.db2.gz KZZRFLCLMSRYDG-GFCCVEGCSA-N 1 1 292.814 3.283 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CC(F)(F)CC[C@H]3CO)C[C@H](C1)C2 ZINC001257891175 807240986 /nfs/dbraw/zinc/24/09/86/807240986.db2.gz FKRLTXHPSZAVMA-MBOZISHXSA-N 1 1 285.378 3.213 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CC(F)(F)CC[C@H]3CO)C[C@H](C1)C2 ZINC001257891175 807240989 /nfs/dbraw/zinc/24/09/89/807240989.db2.gz FKRLTXHPSZAVMA-MBOZISHXSA-N 1 1 285.378 3.213 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCCC[C@@](C)(O)C3)C[C@H](C1)C2 ZINC001257890935 807241021 /nfs/dbraw/zinc/24/10/21/807241021.db2.gz CFAMTJHLHNWRPO-FCLJQHQZSA-N 1 1 263.425 3.358 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCCNc1cnc2c(C#N)c[nH]c2c1 ZINC001167753503 807242780 /nfs/dbraw/zinc/24/27/80/807242780.db2.gz OZWKVRCDHCAALA-CYBMUJFWSA-N 1 1 297.406 3.111 20 30 CGEDMO C[C@@H]1CCCC[N@@H+]1CCCNc1c[nH]c2c(C#N)cnc-2c1 ZINC001167753503 807242786 /nfs/dbraw/zinc/24/27/86/807242786.db2.gz OZWKVRCDHCAALA-CYBMUJFWSA-N 1 1 297.406 3.111 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCCNc1c[nH]c2c(C#N)cnc-2c1 ZINC001167753503 807242789 /nfs/dbraw/zinc/24/27/89/807242789.db2.gz OZWKVRCDHCAALA-CYBMUJFWSA-N 1 1 297.406 3.111 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3C[C@H]4CCCC(=O)[C@@H]4C3)C[C@H](C1)C2 ZINC001257894316 807243589 /nfs/dbraw/zinc/24/35/89/807243589.db2.gz OKQZEDPEBMTDQT-QQXWRGTKSA-N 1 1 273.420 3.422 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCCNc1nc(C#N)ccc1Cl ZINC001167754010 807244149 /nfs/dbraw/zinc/24/41/49/807244149.db2.gz OLSFDZFVSNQKEB-LBPRGKRZSA-N 1 1 292.814 3.283 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CC[C@@H](C(=O)OCC)C3)C[C@H](C1)C2 ZINC001257894954 807244966 /nfs/dbraw/zinc/24/49/66/807244966.db2.gz FDROTBVHUNLABW-IUOOZAAYSA-N 1 1 277.408 3.006 20 30 CGEDMO N#CCC[N@@H+](Cc1ccccc1)C1CCC2(COC2)CC1 ZINC001257905016 807248220 /nfs/dbraw/zinc/24/82/20/807248220.db2.gz RLIBLNDLFDIHSQ-UHFFFAOYSA-N 1 1 284.403 3.361 20 30 CGEDMO N#C[C@H]1CC[C@H](Nc2[nH+]cccc2C2CCOCC2)CC1 ZINC001167844434 807260987 /nfs/dbraw/zinc/26/09/87/807260987.db2.gz OVIMPCPZNARFGL-CTYIDZIISA-N 1 1 285.391 3.470 20 30 CGEDMO C=C(C)C[N@H+](CC)C1CCC(CC(=O)OCC)CC1 ZINC001258034651 807269512 /nfs/dbraw/zinc/26/95/12/807269512.db2.gz XYXDXOCOQOFCIY-UHFFFAOYSA-N 1 1 267.413 3.396 20 30 CGEDMO CCCCCCC[C@H](C)[NH2+][C@H](C(=O)OC)C1CC1 ZINC001258041127 807271227 /nfs/dbraw/zinc/27/12/27/807271227.db2.gz NCFDQJBANNTHGC-JSGCOSHPSA-N 1 1 255.402 3.277 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CCCC[C@H]1C(N)=O ZINC001258047080 807273513 /nfs/dbraw/zinc/27/35/13/807273513.db2.gz GTNGLKOWWLUPOA-KBPBESRZSA-N 1 1 254.418 3.075 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC001258046959 807274191 /nfs/dbraw/zinc/27/41/91/807274191.db2.gz GILPQKWVYBDQQN-DLBZAZTESA-N 1 1 282.472 3.142 20 30 CGEDMO CCCCCCC[C@@H](C)[N@@H+]1CCc2nccn2CC1 ZINC001258050954 807277097 /nfs/dbraw/zinc/27/70/97/807277097.db2.gz ZYKDPINNLWBECL-OAHLLOKOSA-N 1 1 263.429 3.490 20 30 CGEDMO C=CC[C@H]([NH2+][C@H](C)C[C@H](C)CC(C)C)C(=O)OC ZINC001258057508 807280982 /nfs/dbraw/zinc/28/09/82/807280982.db2.gz SDWTWPAVYMITKH-MCIONIFRSA-N 1 1 255.402 3.155 20 30 CGEDMO N#Cc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)cc1 ZINC001167959042 807287022 /nfs/dbraw/zinc/28/70/22/807287022.db2.gz NPRBVEBEFBIEDJ-YQQQUEKLSA-N 1 1 295.430 3.053 20 30 CGEDMO N#Cc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)cc1 ZINC001167959042 807287025 /nfs/dbraw/zinc/28/70/25/807287025.db2.gz NPRBVEBEFBIEDJ-YQQQUEKLSA-N 1 1 295.430 3.053 20 30 CGEDMO CC(C)=CCC[C@@H](C)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001258088268 807299797 /nfs/dbraw/zinc/29/97/97/807299797.db2.gz KRVGZRQGXGVOFM-TZMCWYRMSA-N 1 1 265.422 3.395 20 30 CGEDMO C[C@H]1CC([N@H+]2CCC3SC(=O)C=C3C2)C[C@H](C)C1 ZINC001258160209 807328700 /nfs/dbraw/zinc/32/87/00/807328700.db2.gz RHPJYEPQNNOGOF-GYSYKLTISA-N 1 1 265.422 3.085 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001168307515 807377185 /nfs/dbraw/zinc/37/71/85/807377185.db2.gz CPMFOCOXZJYLMZ-HONMWMINSA-N 1 1 262.303 3.206 20 30 CGEDMO C=C[C@@H]1C[C@@]1([NH2+][C@H]1CCCC(C)(C)C1)C(=O)OCC ZINC001258278167 807391000 /nfs/dbraw/zinc/39/10/00/807391000.db2.gz RHBLPPQGSNSNAE-WWGRRREGSA-N 1 1 265.397 3.053 20 30 CGEDMO CC(C)[C@H]1CCCCC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC001168581626 807450857 /nfs/dbraw/zinc/45/08/57/807450857.db2.gz WJBPKFLEAGZWBD-JKSUJKDBSA-N 1 1 278.440 3.332 20 30 CGEDMO C=CC[C@@](C)([NH2+][C@@H](CCC)Cc1ccccc1)C(=O)OC ZINC001258654889 807524237 /nfs/dbraw/zinc/52/42/37/807524237.db2.gz UVBZLHUCTMFTIN-FUHWJXTLSA-N 1 1 289.419 3.495 20 30 CGEDMO CCCCCCC[C@H](CC(C)C)[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC001258714133 807565104 /nfs/dbraw/zinc/56/51/04/807565104.db2.gz JASJMGGRVVNQMY-KURKYZTESA-N 1 1 299.499 3.437 20 30 CGEDMO CCCCCCC[C@H](CC(C)C)[N@H+]1C[C@H](O)C[C@@H]1CO ZINC001258716295 807566868 /nfs/dbraw/zinc/56/68/68/807566868.db2.gz WSUBIAHDXYTWEB-BRWVUGGUSA-N 1 1 285.472 3.189 20 30 CGEDMO C=CCC[C@H](C)[NH+]1CCC(N)(c2ccccc2)CC1 ZINC001258724442 807572363 /nfs/dbraw/zinc/57/23/63/807572363.db2.gz WPKOXRPFYROGNH-HNNXBMFYSA-N 1 1 258.409 3.291 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1Cc2cn(CC)nc2[C@@H](COCC)C1 ZINC001258728361 807575102 /nfs/dbraw/zinc/57/51/02/807575102.db2.gz NYRWBFISAQSLIV-GDBMZVCRSA-N 1 1 291.439 3.193 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001258729467 807575679 /nfs/dbraw/zinc/57/56/79/807575679.db2.gz VIYYXBBMSYPEEQ-KGLIPLIRSA-N 1 1 282.428 3.282 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C ZINC001258728967 807576709 /nfs/dbraw/zinc/57/67/09/807576709.db2.gz RPNYRONHQBJYKI-RDBSUJKOSA-N 1 1 280.412 3.035 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@]2(CCCCN2C(C)=O)C1 ZINC001258731473 807577809 /nfs/dbraw/zinc/57/78/09/807577809.db2.gz YFXZOSOULZDKEZ-NVXWUHKLSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CC(=O)OCc1ccccc1 ZINC001258735999 807582604 /nfs/dbraw/zinc/58/26/04/807582604.db2.gz HXOMLAWNPUINRM-CQSZACIVSA-N 1 1 261.365 3.016 20 30 CGEDMO COc1ccc(Nc2cc(OC)c(C)c[nH+]2)c(C#N)c1 ZINC001212782615 815135957 /nfs/dbraw/zinc/13/59/57/815135957.db2.gz IJIPFEFEULBGLO-UHFFFAOYSA-N 1 1 269.304 3.023 20 30 CGEDMO CC1(C)CC([N@H+]2CCC[C@@H](C#N)CC2)CC(C)(C)N1O ZINC001170002587 807736553 /nfs/dbraw/zinc/73/65/53/807736553.db2.gz FYUHSWDYUHRHRP-CYBMUJFWSA-N 1 1 279.428 3.023 20 30 CGEDMO CCC[N@@H+](CCC#N)C1CC(C)(C)N(O)C(C)(C)C1 ZINC001170003754 807737475 /nfs/dbraw/zinc/73/74/75/807737475.db2.gz ZAJJPHWYTKHRCO-UHFFFAOYSA-N 1 1 267.417 3.023 20 30 CGEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+]([C@H]1CC[C@@H](C)C1)CCO2 ZINC001170138425 807772705 /nfs/dbraw/zinc/77/27/05/807772705.db2.gz REFUFRLTJFANFJ-VSZNYVQBSA-N 1 1 293.451 3.249 20 30 CGEDMO N#CC1(c2ccccc2)CCC([N@@H+]2CCCC[C@@H]2CO)CC1 ZINC001170377280 807831690 /nfs/dbraw/zinc/83/16/90/807831690.db2.gz YNXCIJSQDUMHDA-JLAWEPINSA-N 1 1 298.430 3.237 20 30 CGEDMO C[N@@H+]([C@H]1CCOC1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170388707 807833747 /nfs/dbraw/zinc/83/37/47/807833747.db2.gz AJOGOENIAZCPID-ADKAHSJRSA-N 1 1 284.403 3.111 20 30 CGEDMO C[C@@H]1C[C@H](O)CC[N@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170388829 807833997 /nfs/dbraw/zinc/83/39/97/807833997.db2.gz GXUSJQKFEIGKFO-ZTRSQXPZSA-N 1 1 298.430 3.236 20 30 CGEDMO C[N@@H+](C1CCC(C#N)(c2ccccc2)CC1)C1(C)COC1 ZINC001170389278 807834331 /nfs/dbraw/zinc/83/43/31/807834331.db2.gz PUNZJAIEDSORFP-UHFFFAOYSA-N 1 1 284.403 3.111 20 30 CGEDMO CC[N@@H+](CCC#N)[C@@H]1CCc2c(Cl)cccc2C1 ZINC001171047884 807972478 /nfs/dbraw/zinc/97/24/78/807972478.db2.gz BGPIHPKALJOSGS-CYBMUJFWSA-N 1 1 262.784 3.433 20 30 CGEDMO COCC#CC[N@H+]1CC[C@@H](CC(C)(C)C)C1(C)C ZINC001171070579 807978286 /nfs/dbraw/zinc/97/82/86/807978286.db2.gz YWAZRSWPONQANH-AWEZNQCLSA-N 1 1 251.414 3.173 20 30 CGEDMO C=CCCC[N@H+]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001171118991 807990575 /nfs/dbraw/zinc/99/05/75/807990575.db2.gz LUSWESCZNBVPFE-INIZCTEOSA-N 1 1 258.409 3.159 20 30 CGEDMO N#C[C@@H]1CC[N@H+]([C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171136871 807996601 /nfs/dbraw/zinc/99/66/01/807996601.db2.gz XFOONJQOQMAFKD-NHYWBVRUSA-N 1 1 260.768 3.043 20 30 CGEDMO C=CCC(C)(C)C(=O)N(C)C[C@H]1CC[N@H+]1CC=C(C)C ZINC001263812272 808005934 /nfs/dbraw/zinc/00/59/34/808005934.db2.gz KRDMNGKZNCHARW-OAHLLOKOSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@H](C)CC(C)(C)C ZINC001263812626 808006252 /nfs/dbraw/zinc/00/62/52/808006252.db2.gz QTPJVRMGXRCVST-LSDHHAIUSA-N 1 1 280.456 3.168 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1ccccn1 ZINC001171203991 808009498 /nfs/dbraw/zinc/00/94/98/808009498.db2.gz RAJMBYVQMFESNX-CQSZACIVSA-N 1 1 265.360 3.016 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)CCc1ccncc1 ZINC001171221969 808012340 /nfs/dbraw/zinc/01/23/40/808012340.db2.gz YGKWPJWUOQYNFN-HNNXBMFYSA-N 1 1 279.387 3.059 20 30 CGEDMO C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C=C(C)C)C1 ZINC001264035593 808030058 /nfs/dbraw/zinc/03/00/58/808030058.db2.gz RMHSGWAADGMRNU-QZTJIDSGSA-N 1 1 298.430 3.113 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)/C=C(/C)CC)[C@H]1CC ZINC001264051435 808031540 /nfs/dbraw/zinc/03/15/40/808031540.db2.gz BXPXZTYOLIMXMG-YNLMUAPZSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@](C)(F)CCCC)[C@H]1CC ZINC001264057107 808031564 /nfs/dbraw/zinc/03/15/64/808031564.db2.gz OUODWYCWGRRBBM-LZWOXQAQSA-N 1 1 284.419 3.060 20 30 CGEDMO C=CCCC(=O)N1C[C@@H]2C[N@@H+](CC(CC)CC)CC[C@@H]2C1 ZINC001264084585 808033645 /nfs/dbraw/zinc/03/36/45/808033645.db2.gz PTBUJZZKEOJSTM-SJORKVTESA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)CCC)C[C@@H]2C1 ZINC001264098666 808034967 /nfs/dbraw/zinc/03/49/67/808034967.db2.gz SXLIFZLRBAOGFP-BBWFWOEESA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CCC1CCCC1 ZINC001264179511 808044265 /nfs/dbraw/zinc/04/42/65/808044265.db2.gz YFQFNIAYYFHZDV-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)C1CC(C)(C)C1 ZINC001264182410 808044612 /nfs/dbraw/zinc/04/46/12/808044612.db2.gz MTPMTAIEEIEAES-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)CCC)CC(C)(C)C1 ZINC001264195243 808047544 /nfs/dbraw/zinc/04/75/44/808047544.db2.gz OVXJDDDNQWIIJK-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@](C)(CC)CCC ZINC001264374591 808062603 /nfs/dbraw/zinc/06/26/03/808062603.db2.gz KDSIVUOBIMKIDV-NVXWUHKLSA-N 1 1 280.456 3.312 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171544476 808089963 /nfs/dbraw/zinc/08/99/63/808089963.db2.gz VFPGLPILVNEPMC-AAEUAGOBSA-N 1 1 293.332 3.306 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)C(C)C)CC(C)(C)C1 ZINC001264753201 808091722 /nfs/dbraw/zinc/09/17/22/808091722.db2.gz CZIYVTFQNRRKGQ-HUUCEWRRSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CC(C)(C)C(=O)NCCC[N@H+](C)CC1CC2(CCC2)C1 ZINC001265021641 808102989 /nfs/dbraw/zinc/10/29/89/808102989.db2.gz VPGBYGOKLIGAAT-UHFFFAOYSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[N@H+](C)CCCNC(=O)C[C@@H]1CCCC[C@H]1C ZINC001265075291 808107548 /nfs/dbraw/zinc/10/75/48/808107548.db2.gz ZBGNGFIHKZIQLW-CVEARBPZSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)CCCNC(=O)[C@H](C)C1CCC1 ZINC001265119670 808110698 /nfs/dbraw/zinc/11/06/98/808110698.db2.gz NBQJTNQPMSMUTD-CYBMUJFWSA-N 1 1 286.847 3.003 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001265222362 808121269 /nfs/dbraw/zinc/12/12/69/808121269.db2.gz DEDCGBOWSRSCEX-HNNXBMFYSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H](NC(=O)CCC2CCCC2)C1 ZINC001265267908 808124441 /nfs/dbraw/zinc/12/44/41/808124441.db2.gz FMZSGJORLDOJBW-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(Cl)c2)C1 ZINC001265312283 808130533 /nfs/dbraw/zinc/13/05/33/808130533.db2.gz KWLHGFCMHIHUPG-OAHLLOKOSA-N 1 1 292.810 3.110 20 30 CGEDMO N#Cc1cccc([C@@H](O)C[N@H+]2CCCC[C@@H]2C2CCC2)c1 ZINC001171750746 808132434 /nfs/dbraw/zinc/13/24/34/808132434.db2.gz IECIFWZAYBZPIS-MSOLQXFVSA-N 1 1 284.403 3.246 20 30 CGEDMO CCCN(CCC#N)[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171763729 808132843 /nfs/dbraw/zinc/13/28/43/808132843.db2.gz QGYNIFSZIWSKJL-AEFFLSMTSA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@@H]1C[C@H](N2CCC[C@@H](CC#N)C2)C[N@H+]1Cc1ccccc1 ZINC001171765537 808132894 /nfs/dbraw/zinc/13/28/94/808132894.db2.gz YIQHEJJMUMHPTN-NEWSRXKRSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](CC#N)C2)CN1Cc1ccccc1 ZINC001171765537 808132901 /nfs/dbraw/zinc/13/29/01/808132901.db2.gz YIQHEJJMUMHPTN-NEWSRXKRSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1C[C@H]([N@H+]2CCC[C@@H](CC#N)C2)CN1Cc1ccccc1 ZINC001171765537 808132904 /nfs/dbraw/zinc/13/29/04/808132904.db2.gz YIQHEJJMUMHPTN-NEWSRXKRSA-N 1 1 297.446 3.275 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)CC(C)(C)C2CC2)C1 ZINC001265388277 808138453 /nfs/dbraw/zinc/13/84/53/808138453.db2.gz AYPPELAZOJNDON-HNNXBMFYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC(C)C ZINC001265401247 808139697 /nfs/dbraw/zinc/13/96/97/808139697.db2.gz OKHJWUFZGLQGPT-ZACQAIPSSA-N 1 1 292.467 3.453 20 30 CGEDMO C=CC(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)C ZINC001265517476 808150359 /nfs/dbraw/zinc/15/03/59/808150359.db2.gz BDTFSNWELQUZEQ-MQVJKMGUSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)OCCCC ZINC001171920532 808153619 /nfs/dbraw/zinc/15/36/19/808153619.db2.gz IMNHBGJJIZJATC-RBSFLKMASA-N 1 1 267.413 3.443 20 30 CGEDMO C=CC[NH2+][C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171982350 808165484 /nfs/dbraw/zinc/16/54/84/808165484.db2.gz HOCGTDQNWHPCPP-MRXNPFEDSA-N 1 1 258.409 3.205 20 30 CGEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CC)CC(C)C ZINC001265655510 808166021 /nfs/dbraw/zinc/16/60/21/808166021.db2.gz JOSZVSYDFAFMDH-DLBZAZTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCCC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@@H+]1CC ZINC001265695921 808169065 /nfs/dbraw/zinc/16/90/65/808169065.db2.gz CRZJDBZXFXQUAK-HZPDHXFCSA-N 1 1 278.440 3.208 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001265894009 808191039 /nfs/dbraw/zinc/19/10/39/808191039.db2.gz UWGPUMLVAWHATG-QDMKHBRRSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001265894009 808191040 /nfs/dbraw/zinc/19/10/40/808191040.db2.gz UWGPUMLVAWHATG-QDMKHBRRSA-N 1 1 298.858 3.003 20 30 CGEDMO CC#CC[N@H+](CC)CCCNC(=O)[C@@]1(C)CCC[C@H]1CC ZINC001266054095 808205928 /nfs/dbraw/zinc/20/59/28/808205928.db2.gz HXOMUMNUACEWPI-AEFFLSMTSA-N 1 1 292.467 3.054 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)CC2(C)CC2)C1 ZINC001266105396 808212614 /nfs/dbraw/zinc/21/26/14/808212614.db2.gz MYUNYAWFGQVXMO-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@](C)(F)[C@H](F)C1 ZINC001172311941 808224801 /nfs/dbraw/zinc/22/48/01/808224801.db2.gz CNPDFHGKYSOUAB-DAXOMENPSA-N 1 1 278.346 3.261 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCc2cc(O)ccc2C1 ZINC001172314656 808225470 /nfs/dbraw/zinc/22/54/70/808225470.db2.gz LDKVDFSPRQRGDL-AWEZNQCLSA-N 1 1 292.382 3.253 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCCC[C@@H](F)C1 ZINC001172316950 808226576 /nfs/dbraw/zinc/22/65/76/808226576.db2.gz YXHNZKBWASXFFI-XJKSGUPXSA-N 1 1 260.356 3.313 20 30 CGEDMO C=CCC[N@H+](C)CCNC(=O)[C@H](CC)C1CCC(C)CC1 ZINC001266280906 808236339 /nfs/dbraw/zinc/23/63/39/808236339.db2.gz YHMMJXGQOCPDJB-OFLPRAFFSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@@H+](C)CCNC(=O)c1ccccc1C(C)(C)C ZINC001266286699 808236384 /nfs/dbraw/zinc/23/63/84/808236384.db2.gz VYLYQTZCCHSFIO-UHFFFAOYSA-N 1 1 288.435 3.222 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCC[N@@H+](C)CCC1CCCC1 ZINC001266320588 808240995 /nfs/dbraw/zinc/24/09/95/808240995.db2.gz MYEWTIWAYQAVSL-KRWDZBQOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001266341159 808245499 /nfs/dbraw/zinc/24/54/99/808245499.db2.gz BCFMYOWAORFKTM-GOEBONIOSA-N 1 1 292.448 3.041 20 30 CGEDMO C=CCC[N@H+](C)CCNC(=O)c1ccc(CC(C)C)cc1 ZINC001266357829 808248777 /nfs/dbraw/zinc/24/87/77/808248777.db2.gz HBPOKBIFGNNKCL-UHFFFAOYSA-N 1 1 288.435 3.123 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)c1c(C)cccc1F ZINC001266368158 808250165 /nfs/dbraw/zinc/25/01/65/808250165.db2.gz RWFXPELLJQBWCI-CQSZACIVSA-N 1 1 292.398 3.150 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@@H](O)[C@@](C)(CO)C1 ZINC001172359620 808253862 /nfs/dbraw/zinc/25/38/62/808253862.db2.gz ZDRYXEWNSNSJEW-GVDBMIGSSA-N 1 1 285.472 3.191 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CCO[C@@H](C(C)=O)C1 ZINC001172360045 808255582 /nfs/dbraw/zinc/25/55/82/808255582.db2.gz IECIGPRSOVMCHF-JKSUJKDBSA-N 1 1 269.429 3.415 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)c1cc(C)sc1C ZINC001266401000 808257410 /nfs/dbraw/zinc/25/74/10/808257410.db2.gz WLDDXRIOZSKGIO-UHFFFAOYSA-N 1 1 294.464 3.383 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)[C@H]1CCC[C@H](C)C1 ZINC001266413665 808259244 /nfs/dbraw/zinc/25/92/44/808259244.db2.gz QYWCVPUJMFZTPD-HOTGVXAUSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H](C[N@H+](C)CC(=C)Cl)C1 ZINC001266463395 808271178 /nfs/dbraw/zinc/27/11/78/808271178.db2.gz KNPKSOWUEJVZHD-AWEZNQCLSA-N 1 1 298.858 3.122 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)c1cc(C)cc(C)c1 ZINC001266577496 808290071 /nfs/dbraw/zinc/29/00/71/808290071.db2.gz NAEXACJEGQYXTE-UHFFFAOYSA-N 1 1 288.435 3.321 20 30 CGEDMO C=CC(C)(C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=C)C ZINC001266650053 808301835 /nfs/dbraw/zinc/30/18/35/808301835.db2.gz FKINWKLVBPGLKT-MQVJKMGUSA-N 1 1 290.451 3.276 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC001266652362 808302181 /nfs/dbraw/zinc/30/21/81/808302181.db2.gz YBNDGJPNJYABJU-HNSVSWJLSA-N 1 1 278.440 3.109 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001266767617 808314493 /nfs/dbraw/zinc/31/44/93/808314493.db2.gz PDNMNQHCVLZHGN-JKSUJKDBSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1CCCC[N@@H+]1C/C=C\Cl ZINC001266849912 808323207 /nfs/dbraw/zinc/32/32/07/808323207.db2.gz PNWXTFADCLKOLM-IUCKJTJTSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1CCCC[N@H+]1C/C=C\Cl ZINC001266849912 808323209 /nfs/dbraw/zinc/32/32/09/808323209.db2.gz PNWXTFADCLKOLM-IUCKJTJTSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@H]1CNC(=O)CCCC1CC1 ZINC001266852901 808323549 /nfs/dbraw/zinc/32/35/49/808323549.db2.gz AZLJFQMOWZVGEV-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C)c1ccsc1 ZINC001266855938 808324738 /nfs/dbraw/zinc/32/47/38/808324738.db2.gz IAVFTPPRAOZTHL-HIFRSBDPSA-N 1 1 292.448 3.008 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[C@H](C)CC ZINC001266855657 808325389 /nfs/dbraw/zinc/32/53/89/808325389.db2.gz DSORMSOCFYBEKB-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO CCC[C@H]([NH2+][C@H](C)CCCC#N)C(=O)OC(C)(C)C ZINC001172485687 808347167 /nfs/dbraw/zinc/34/71/67/808347167.db2.gz SHWQCIXQCWTACB-OLZOCXBDSA-N 1 1 268.401 3.169 20 30 CGEDMO C[C@@H](CCCC#N)[N@@H+](Cc1ccccc1)CC(C)(C)O ZINC001172497505 808353590 /nfs/dbraw/zinc/35/35/90/808353590.db2.gz CINDYYAUBGUWHG-HNNXBMFYSA-N 1 1 274.408 3.342 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001172499198 808355169 /nfs/dbraw/zinc/35/51/69/808355169.db2.gz BWAKDSAEUYNKEF-RDJZCZTQSA-N 1 1 297.402 3.484 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCc2cc(F)c(F)cc2C1 ZINC001172500755 808355193 /nfs/dbraw/zinc/35/51/93/808355193.db2.gz ADTXVHKPYHIQGO-NSHDSACASA-N 1 1 264.319 3.405 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)C[C@@H](C)SC)C1 ZINC001267103094 808356807 /nfs/dbraw/zinc/35/68/07/808356807.db2.gz SDDSQJJIMYEXFJ-CABCVRRESA-N 1 1 298.496 3.017 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](CC)SC)C1 ZINC001267101991 808357354 /nfs/dbraw/zinc/35/73/54/808357354.db2.gz AXNBEESNBXQQOT-LSDHHAIUSA-N 1 1 298.496 3.017 20 30 CGEDMO Cc1cccc(O[C@@H]2CCC[N@H+]([C@@H](C)CCCC#N)C2)n1 ZINC001172506663 808362447 /nfs/dbraw/zinc/36/24/47/808362447.db2.gz YQPRUVQXFZGMEN-JKSUJKDBSA-N 1 1 287.407 3.316 20 30 CGEDMO C[C@H](CCCC#N)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC001172507521 808365227 /nfs/dbraw/zinc/36/52/27/808365227.db2.gz VQUSFRRWKRBMKR-MRXNPFEDSA-N 1 1 283.419 3.029 20 30 CGEDMO C[C@H](CCCC#N)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC001172507521 808365237 /nfs/dbraw/zinc/36/52/37/808365237.db2.gz VQUSFRRWKRBMKR-MRXNPFEDSA-N 1 1 283.419 3.029 20 30 CGEDMO C=CC[C@@](C)([NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)C(=O)OC ZINC001172556155 808384686 /nfs/dbraw/zinc/38/46/86/808384686.db2.gz HUDCKQFBOJYJTE-JFIYKMOQSA-N 1 1 287.403 3.420 20 30 CGEDMO C=CCC[N@H+](C)CCNC(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001267220157 808384992 /nfs/dbraw/zinc/38/49/92/808384992.db2.gz KJTODTSKNCJTQS-YOEHRIQHSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCNC(=O)C1CCC(C2CC2)CC1 ZINC001267229356 808389263 /nfs/dbraw/zinc/38/92/63/808389263.db2.gz GAHQYMNPGQKGOD-UHFFFAOYSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)[C@H]1CC2CCC1CC2 ZINC001267257422 808398100 /nfs/dbraw/zinc/39/81/00/808398100.db2.gz VVDAZNBYZZSKKD-JCYILVPMSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)CCCC)C1 ZINC001267291928 808406000 /nfs/dbraw/zinc/40/60/00/808406000.db2.gz ORVLAKOUTWVMCO-HOTGVXAUSA-N 1 1 280.456 3.217 20 30 CGEDMO C#CC[N@@H+](CCC)CCNC(=O)C[C@@H](C)C1CCCCC1 ZINC001267318657 808414139 /nfs/dbraw/zinc/41/41/39/808414139.db2.gz QDJWATLVEMXLFY-MRXNPFEDSA-N 1 1 292.467 3.054 20 30 CGEDMO COC(=O)[C@@H]1CCC[C@@H]([NH2+]C2(C#N)CCCCCC2)CC1 ZINC001172767687 808435220 /nfs/dbraw/zinc/43/52/20/808435220.db2.gz JYKMOTHELJLELI-HUUCEWRRSA-N 1 1 292.423 3.314 20 30 CGEDMO C=CC(C)(C)CC(=O)NCC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001267558449 808445789 /nfs/dbraw/zinc/44/57/89/808445789.db2.gz APTPKDLWKQYYEY-OAHLLOKOSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)C(C)(C)C)C1 ZINC001267583892 808452949 /nfs/dbraw/zinc/45/29/49/808452949.db2.gz ACPMYPCCIKVLTJ-CABCVRRESA-N 1 1 280.456 3.025 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](CCC)CC(C)C)C1 ZINC001267597654 808455771 /nfs/dbraw/zinc/45/57/71/808455771.db2.gz ZHLPINBLXXMASF-SJORKVTESA-N 1 1 294.483 3.415 20 30 CGEDMO C=C(C)C[N@H+](C)CC1CCN(C(=O)CCCCC)CC1 ZINC001267597993 808455887 /nfs/dbraw/zinc/45/58/87/808455887.db2.gz PFWIYRCSXRTGEH-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@@H](C)[C@@H](C)CC)CC1 ZINC001267602802 808456999 /nfs/dbraw/zinc/45/69/99/808456999.db2.gz LODRVVVUQMADFE-HOTGVXAUSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CCC[N@@H+](CCCCCF)C1 ZINC001267629411 808460689 /nfs/dbraw/zinc/46/06/89/808460689.db2.gz UVEVGAJLVFQIES-HNNXBMFYSA-N 1 1 298.446 3.309 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)/C=C\c2ccco2)C1 ZINC001267636424 808462455 /nfs/dbraw/zinc/46/24/55/808462455.db2.gz ZXTHJYNYINSMBU-KTKRTIGZSA-N 1 1 290.407 3.064 20 30 CGEDMO C=CCCCCC[NH+]1CC(NC(=O)C(C)(C)C(C)C)C1 ZINC001267648309 808464095 /nfs/dbraw/zinc/46/40/95/808464095.db2.gz VAKAQNSUWMWXLT-UHFFFAOYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[C@H](C[N@@H+](C)CC=C(C)C)C1 ZINC001267684979 808471177 /nfs/dbraw/zinc/47/11/77/808471177.db2.gz VRWVYTAXRTXZMK-SJLPKXTDSA-N 1 1 292.467 3.335 20 30 CGEDMO CO[C@H]1CCC[C@H]([N@@H+](CCC#N)C2CCCC2)C1 ZINC001172942953 808492110 /nfs/dbraw/zinc/49/21/10/808492110.db2.gz RNDWKNBCOUOMQC-GJZGRUSLSA-N 1 1 250.386 3.102 20 30 CGEDMO N#CCC[N@@H+](C1CCCC1)[C@@H]1CCc2ncsc2C1 ZINC001173139473 808523835 /nfs/dbraw/zinc/52/38/35/808523835.db2.gz UHFUSGLXFHBVQC-CYBMUJFWSA-N 1 1 275.421 3.159 20 30 CGEDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC001173228426 808541389 /nfs/dbraw/zinc/54/13/89/808541389.db2.gz WMLBDWOLOCPSFL-HIFRSBDPSA-N 1 1 287.363 3.151 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)C(C)(C)C)C1 ZINC001268202178 808555932 /nfs/dbraw/zinc/55/59/32/808555932.db2.gz NPOBCCHSWVALLO-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C[C@H](CC)CCCC)C1 ZINC001268207639 808558034 /nfs/dbraw/zinc/55/80/34/808558034.db2.gz BWJXTKXBARBYEK-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)[C@H]2CCC[C@H](F)C2)C1 ZINC001268300431 808576832 /nfs/dbraw/zinc/57/68/32/808576832.db2.gz OKXYXAHKTVSFMN-GJZGRUSLSA-N 1 1 298.446 3.286 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@H+]([C@@H]3CC[C@@H](CC)C3)C2)C1=O ZINC001173284540 808585838 /nfs/dbraw/zinc/58/58/38/808585838.db2.gz ZYLSLWFSIJHCQS-NUJGCVRESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCOC1CCC([NH2+][C@@H](CC)C(=O)OC(C)(C)C)CC1 ZINC001173318518 808610377 /nfs/dbraw/zinc/61/03/77/808610377.db2.gz YICWRGIOOXYFFY-NRXISQOPSA-N 1 1 297.439 3.210 20 30 CGEDMO C=CCOC1CCC([N@@H+]2CCCC[C@@H]2CCOC)CC1 ZINC001173321144 808611177 /nfs/dbraw/zinc/61/11/77/808611177.db2.gz XRRJNMHKHITQNM-KLAILNCOSA-N 1 1 281.440 3.391 20 30 CGEDMO C=CCOC1CCC([N@H+](CC)CCN(CC)CC)CC1 ZINC001173327270 808612388 /nfs/dbraw/zinc/61/23/88/808612388.db2.gz LIXMHUNKWMVFON-UHFFFAOYSA-N 1 1 282.472 3.164 20 30 CGEDMO C=CCOC1CCC([N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)CC1 ZINC001173324804 808612888 /nfs/dbraw/zinc/61/28/88/808612888.db2.gz UVHYQRMLWWQVEU-DGKWVBSXSA-N 1 1 285.378 3.477 20 30 CGEDMO C[N@@H+](CCc1cccnc1)C1CCC(CC#N)CC1 ZINC001173339815 808619552 /nfs/dbraw/zinc/61/95/52/808619552.db2.gz VDIKDUGJDXFUCS-UHFFFAOYSA-N 1 1 257.381 3.028 20 30 CGEDMO C=C[C@H](C(=O)N[C@H](C)C[N@H+](C)CCCC)c1ccccc1 ZINC001268757570 808625171 /nfs/dbraw/zinc/62/51/71/808625171.db2.gz SLXCYTOWRXZFTP-WBVHZDCISA-N 1 1 288.435 3.193 20 30 CGEDMO CC1(C#N)CCC([NH2+]C2(c3ccccc3F)COC2)CC1 ZINC001173586681 808647551 /nfs/dbraw/zinc/64/75/51/808647551.db2.gz XFUJHCNEIARASU-UHFFFAOYSA-N 1 1 288.366 3.113 20 30 CGEDMO C[C@H]1C[N@H+](C2CCC(C)(C#N)CC2)CCC1(F)F ZINC001173592683 808648454 /nfs/dbraw/zinc/64/84/54/808648454.db2.gz YOISSTOVXGYWJJ-HIFPTAJRSA-N 1 1 256.340 3.436 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CCCC[C@H]2CN2CCCC2)CC1 ZINC001173596012 808650239 /nfs/dbraw/zinc/65/02/39/808650239.db2.gz GLSBGIPRWPMHHX-ADKAHSJRSA-N 1 1 289.467 3.409 20 30 CGEDMO CC1(C#N)CCC(N2CCCC[C@H]2C[NH+]2CCCC2)CC1 ZINC001173596012 808650242 /nfs/dbraw/zinc/65/02/42/808650242.db2.gz GLSBGIPRWPMHHX-ADKAHSJRSA-N 1 1 289.467 3.409 20 30 CGEDMO Cc1cccnc1O[C@H]1CC[N@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173597518 808651234 /nfs/dbraw/zinc/65/12/34/808651234.db2.gz WZLBHFSJDMHFJS-PQUAAJSLSA-N 1 1 299.418 3.316 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CCO[C@@H](Cc3ccccc3)C2)CC1 ZINC001173598687 808651346 /nfs/dbraw/zinc/65/13/46/808651346.db2.gz UKAPSLVUGCXZTH-XBMUEBEBSA-N 1 1 298.430 3.402 20 30 CGEDMO CCOC(=O)[C@@]1(C)CCC[N@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173599103 808651461 /nfs/dbraw/zinc/65/14/61/808651461.db2.gz ZKBACZMECMIBKE-PREGVCBESA-N 1 1 292.423 3.124 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001269186934 808653060 /nfs/dbraw/zinc/65/30/60/808653060.db2.gz KGVOPLAUQCQAQO-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](N(C)C(=O)C(C)C)C1 ZINC001269218110 808658296 /nfs/dbraw/zinc/65/82/96/808658296.db2.gz VAFLONKVZXFCTA-OAHLLOKOSA-N 1 1 268.445 3.146 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)C/C=C\c2ccc(C)cc2)C1 ZINC001269301266 808665405 /nfs/dbraw/zinc/66/54/05/808665405.db2.gz IVUZIVKYPJEIKF-OOFWQKGWSA-N 1 1 298.430 3.117 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](N(CC)C(=O)C(F)F)C1 ZINC001269301059 808666564 /nfs/dbraw/zinc/66/65/64/808666564.db2.gz GQHNBLKOVWCXRC-CYBMUJFWSA-N 1 1 290.398 3.145 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@H](C)Cc1ccc(C(=O)OC)cc1 ZINC001173728256 808667797 /nfs/dbraw/zinc/66/77/97/808667797.db2.gz QKQXNFQDGWFBEG-CQSZACIVSA-N 1 1 288.391 3.030 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)/C=C/C(C)(C)C)C1 ZINC001269313287 808668021 /nfs/dbraw/zinc/66/80/21/808668021.db2.gz LGJXQRDYTKVMGD-RCQQVGEISA-N 1 1 298.858 3.264 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)/C=C/C(C)(C)C)C1 ZINC001269313287 808668028 /nfs/dbraw/zinc/66/80/28/808668028.db2.gz LGJXQRDYTKVMGD-RCQQVGEISA-N 1 1 298.858 3.264 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(C)=O)C1 ZINC001269553356 808688229 /nfs/dbraw/zinc/68/82/29/808688229.db2.gz QWEMVIPQSLVDGS-ZWKOTPCHSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)CCC ZINC001269582802 808689960 /nfs/dbraw/zinc/68/99/60/808689960.db2.gz ACOAPAXVDVQJLR-ZACQAIPSSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C)CCCC)C2)C1 ZINC001269686853 808697908 /nfs/dbraw/zinc/69/79/08/808697908.db2.gz RCHPLFAXPACVRX-AEFFLSMTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@](C)(NC(=O)CC2CC2)C1 ZINC001270530340 808734145 /nfs/dbraw/zinc/73/41/45/808734145.db2.gz SUFZRYKWPMMQSQ-QGZVFWFLSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@](C)(NC(=O)CCCC(C)C)C1 ZINC001270632779 808739667 /nfs/dbraw/zinc/73/96/67/808739667.db2.gz MFRUMBODGWUVJQ-KRWDZBQOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CCC(=O)NC[C@]1(C)CCC[N@@H+](CC(=C)C)C1 ZINC001270965594 808756371 /nfs/dbraw/zinc/75/63/71/808756371.db2.gz LOKOCVKYRNYVSX-KRWDZBQOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCCCC(=O)NC[C@@]1(C)CCC[N@H+](CC(=C)Cl)C1 ZINC001270982086 808758272 /nfs/dbraw/zinc/75/82/72/808758272.db2.gz FQHZBAJPDZWGJG-MRXNPFEDSA-N 1 1 298.858 3.314 20 30 CGEDMO C=CCCCC(=O)NC[C@@]1(C)CCC[N@@H+](CC(=C)Cl)C1 ZINC001270982086 808758277 /nfs/dbraw/zinc/75/82/77/808758277.db2.gz FQHZBAJPDZWGJG-MRXNPFEDSA-N 1 1 298.858 3.314 20 30 CGEDMO C=CCC1(C(=O)NC[C@@]2(C)CCC[N@H+](CC)C2)CCCC1 ZINC001271017668 808758688 /nfs/dbraw/zinc/75/86/88/808758688.db2.gz UMFGAVGCWSGRBT-QGZVFWFLSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)CCC ZINC001272016116 808793823 /nfs/dbraw/zinc/79/38/23/808793823.db2.gz OBQAORRAGVREGF-AEGPPILISA-N 1 1 298.858 3.240 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)CCC ZINC001272016116 808793824 /nfs/dbraw/zinc/79/38/24/808793824.db2.gz OBQAORRAGVREGF-AEGPPILISA-N 1 1 298.858 3.240 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)c1c(C)[nH]c2ccccc21 ZINC001272060663 808794779 /nfs/dbraw/zinc/79/47/79/808794779.db2.gz KENDZFSDSXNDLV-UHFFFAOYSA-N 1 1 299.418 3.056 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCCCC ZINC001272045146 808794943 /nfs/dbraw/zinc/79/49/43/808794943.db2.gz UGKOIGMHBJPLBD-IAGOWNOFSA-N 1 1 290.451 3.045 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@@H](C)C(C)C ZINC001272125611 808798330 /nfs/dbraw/zinc/79/83/30/808798330.db2.gz KEWFNCHLQSBWFR-CABCVRRESA-N 1 1 268.445 3.023 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@@H](C)C1CCCC1 ZINC001272151789 808799398 /nfs/dbraw/zinc/79/93/98/808799398.db2.gz CQNWEGGYQNZORT-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C=C(CC)CC)CC[C@@H]21 ZINC001272204056 808800002 /nfs/dbraw/zinc/80/00/02/808800002.db2.gz AACJLGPNJJDVTC-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CC(C)=C(C)C)CC[C@H]21 ZINC001272215672 808800986 /nfs/dbraw/zinc/80/09/86/808800986.db2.gz JEBQZMQISNFPAK-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@@H+]2C[C@@H](CC)CCCC)C1=O ZINC001272429337 808808465 /nfs/dbraw/zinc/80/84/65/808808465.db2.gz KTVGBFQQQOULPX-FUHWJXTLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2C[C@@H](C)CCC ZINC001272429058 808808506 /nfs/dbraw/zinc/80/85/06/808808506.db2.gz CBYVGBWDTBDSSQ-DOTOQJQBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CN1CC[C@@]2(CCC[N@H+](CCCCC)CC2)C1=O ZINC001272470172 808810750 /nfs/dbraw/zinc/81/07/50/808810750.db2.gz FRJBYSFTYKWDST-SFHVURJKSA-N 1 1 292.467 3.457 20 30 CGEDMO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2CCCCC ZINC001272471163 808811024 /nfs/dbraw/zinc/81/10/24/808811024.db2.gz NGZWNPAXVORHJA-QGZVFWFLSA-N 1 1 278.440 3.210 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)[C@H](F)CC ZINC001272675083 808820782 /nfs/dbraw/zinc/82/07/82/808820782.db2.gz GHTISZIWZCSZCE-MRXNPFEDSA-N 1 1 292.398 3.059 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CCC[N@@H+](CC(=C)Cl)CC1 ZINC001273418061 808843270 /nfs/dbraw/zinc/84/32/70/808843270.db2.gz MPVRJOWPHKYNAL-AWEZNQCLSA-N 1 1 284.831 3.066 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CCC[N@@H+](CC(=C)Cl)CC1 ZINC001273418062 808844232 /nfs/dbraw/zinc/84/42/32/808844232.db2.gz MPVRJOWPHKYNAL-CQSZACIVSA-N 1 1 284.831 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)C)C2 ZINC001273849572 808863297 /nfs/dbraw/zinc/86/32/97/808863297.db2.gz UUWXHJYCYCDSTI-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C[C@H](C=C)CC)C(C)(C)C1 ZINC001274446290 808876497 /nfs/dbraw/zinc/87/64/97/808876497.db2.gz OQRKFBRZOMTUQI-HZPDHXFCSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)C=C1CCCCC1 ZINC001275093219 808905625 /nfs/dbraw/zinc/90/56/25/808905625.db2.gz CSOQSZBFQQUSOZ-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@H]1C=CCC1 ZINC001275086468 808905888 /nfs/dbraw/zinc/90/58/88/808905888.db2.gz BRKPJKUPNWSXRD-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)CCC(=C)C ZINC001275114204 808911239 /nfs/dbraw/zinc/91/12/39/808911239.db2.gz HGHOYKDEKPZASA-MRXNPFEDSA-N 1 1 278.440 3.232 20 30 CGEDMO CCCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)NC(C)C ZINC001275131425 808913906 /nfs/dbraw/zinc/91/39/06/808913906.db2.gz RLMAAOANZREISF-IYBDPMFKSA-N 1 1 295.471 3.223 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](CCC)C(C)C ZINC001275150655 808917088 /nfs/dbraw/zinc/91/70/88/808917088.db2.gz KYXHGNKBGQQEIM-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO N#Cc1cccc(CN2CC[C@H]3C[N@H+](C4CCCC4)C[C@H]32)c1 ZINC001275290397 808926421 /nfs/dbraw/zinc/92/64/21/808926421.db2.gz JUVNRGKBTXOXFJ-PKOBYXMFSA-N 1 1 295.430 3.007 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H](C)C[N@H+](C)CC(CC)CC ZINC001275621331 808953156 /nfs/dbraw/zinc/95/31/56/808953156.db2.gz FTMGBZIFZIIYEK-CYBMUJFWSA-N 1 1 268.445 3.071 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)C[C@@H](C)CC(C)C ZINC001275697192 808959068 /nfs/dbraw/zinc/95/90/68/808959068.db2.gz GITXRYMICUIWQA-LSDHHAIUSA-N 1 1 268.445 3.071 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)CCc1ccsc1 ZINC001275849877 808970604 /nfs/dbraw/zinc/97/06/04/808970604.db2.gz JADKUPXVNIGCJS-CQSZACIVSA-N 1 1 294.464 3.083 20 30 CGEDMO CC#CCCCC(=O)NC[C@H](C)[N@@H+](C)CCC1CCCC1 ZINC001275905273 808976015 /nfs/dbraw/zinc/97/60/15/808976015.db2.gz WYHWAONVTUAMTJ-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)c1ccsc1 ZINC001275929140 808977155 /nfs/dbraw/zinc/97/71/55/808977155.db2.gz YYCQUQTVIJTJNW-UONOGXRCSA-N 1 1 294.464 3.254 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)c1ccoc1CCC ZINC001275976627 808980433 /nfs/dbraw/zinc/98/04/33/808980433.db2.gz GHDGSXPJRDVCDA-CQSZACIVSA-N 1 1 292.423 3.248 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001275977689 808980624 /nfs/dbraw/zinc/98/06/24/808980624.db2.gz UYPXEVRSJGDTRF-BZUAXINKSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)CNC(=O)c1ccc(C(C)(C)C)s1 ZINC001276003876 808983935 /nfs/dbraw/zinc/98/39/35/808983935.db2.gz VDFQPLSWXSVNEG-LBPRGKRZSA-N 1 1 294.464 3.282 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)CNC(=O)CCCc1ccc(C)s1 ZINC001276021617 808984737 /nfs/dbraw/zinc/98/47/37/808984737.db2.gz VYIASEYARBHPHK-CYBMUJFWSA-N 1 1 294.464 3.002 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)CC(C)(C)C)C(C)(C)C1 ZINC001276555431 809017398 /nfs/dbraw/zinc/01/73/98/809017398.db2.gz PAPSSWNCASBZIE-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)C[C@H](C)CC)C(C)(C)C1 ZINC001276578438 809019404 /nfs/dbraw/zinc/01/94/04/809019404.db2.gz HHSDPTXJOJRJTP-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1CC[N@H+]1CC1CCCCC1 ZINC001276860112 809036937 /nfs/dbraw/zinc/03/69/37/809036937.db2.gz INCZCKGEDILKEG-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO Cc1cc(C#N)ccc1CN1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001276857112 809038044 /nfs/dbraw/zinc/03/80/44/809038044.db2.gz VZUDZRRKRISAFA-IBGZPJMESA-N 1 1 297.446 3.175 20 30 CGEDMO Cc1cc(C#N)ccc1C[NH+]1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001276857112 809038052 /nfs/dbraw/zinc/03/80/52/809038052.db2.gz VZUDZRRKRISAFA-IBGZPJMESA-N 1 1 297.446 3.175 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@]2(CCCN(C)C2)C1 ZINC001276857112 809038080 /nfs/dbraw/zinc/03/80/80/809038080.db2.gz VZUDZRRKRISAFA-IBGZPJMESA-N 1 1 297.446 3.175 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@]2(CCCN(C)C2)C1 ZINC001276857112 809038084 /nfs/dbraw/zinc/03/80/84/809038084.db2.gz VZUDZRRKRISAFA-IBGZPJMESA-N 1 1 297.446 3.175 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]1CNC(=O)C1CCC2(CC2)CC1 ZINC001276892338 809041931 /nfs/dbraw/zinc/04/19/31/809041931.db2.gz QJZGGBNDWMXSRL-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO N#Cc1ccccc1N1CC[C@H]2C[N@H+](C3CCCC3)C[C@H]21 ZINC001276953846 809048380 /nfs/dbraw/zinc/04/83/80/809048380.db2.gz REOWTFRPCGLMPE-MAUKXSAKSA-N 1 1 281.403 3.011 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC([N@H+](C)CC[C@H](C)F)CC1 ZINC001277429136 809073683 /nfs/dbraw/zinc/07/36/83/809073683.db2.gz IXDLSXOYRQMJQQ-AWEZNQCLSA-N 1 1 298.446 3.260 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC([N@H+](C)CC[C@@H](C)F)CC1 ZINC001277429187 809073922 /nfs/dbraw/zinc/07/39/22/809073922.db2.gz IXDLSXOYRQMJQQ-CQSZACIVSA-N 1 1 298.446 3.260 20 30 CGEDMO C=CCCC(=O)N1CC[C@]2(C1)CCC[N@H+](C[C@H](F)CC)C2 ZINC001277459594 809076081 /nfs/dbraw/zinc/07/60/81/809076081.db2.gz QSPRTXWWTSWEJK-NVXWUHKLSA-N 1 1 296.430 3.015 20 30 CGEDMO CC#CCCCC(=O)N[C@]1(C)CC[N@H+](CCCCCC)C1 ZINC001278419560 809131487 /nfs/dbraw/zinc/13/14/87/809131487.db2.gz BGJXBYUIUWCAFG-GOSISDBHSA-N 1 1 292.467 3.341 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C2(C)CCC2)[C@@H]1C ZINC001278515211 809138800 /nfs/dbraw/zinc/13/88/00/809138800.db2.gz DPFNGGUPMZKQJE-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CCC[N@H+](CCCC)[C@H]1C ZINC001278511984 809138694 /nfs/dbraw/zinc/13/86/94/809138694.db2.gz ZGDIHKNXTWJIHG-GJZGRUSLSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CCC[N@@H+](CC2CCC2)[C@H]1C ZINC001278520089 809139160 /nfs/dbraw/zinc/13/91/60/809139160.db2.gz CCUDHQFUUVSECX-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CCC(=O)NC[C@]1(C)CCC[N@@H+](C/C=C\Cl)C1 ZINC001278664150 809150216 /nfs/dbraw/zinc/15/02/16/809150216.db2.gz VESJSKNTCDXRMY-GEZBDVBVSA-N 1 1 298.858 3.314 20 30 CGEDMO CCCCCC[N@@H+](C)CCN(C(=O)C#CC1CC1)C(C)C ZINC001278908817 809155571 /nfs/dbraw/zinc/15/55/71/809155571.db2.gz YLWCSCOFJAKVHJ-UHFFFAOYSA-N 1 1 292.467 3.149 20 30 CGEDMO COCC#CC[N@@H+](Cc1ccc(C)cc1)C(C)(C)C ZINC001174789214 809164361 /nfs/dbraw/zinc/16/43/61/809164361.db2.gz KMCSHNUQBNXFBE-UHFFFAOYSA-N 1 1 259.393 3.245 20 30 CGEDMO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC(C)C)C2 ZINC001279203708 809167492 /nfs/dbraw/zinc/16/74/92/809167492.db2.gz FQPYHNQYLHCHES-BJWYYQGGSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC ZINC001279529960 809173148 /nfs/dbraw/zinc/17/31/48/809173148.db2.gz RPFAJYQPQNTOCG-CVEARBPZSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CCCC(C)C)[C@@H]2C1 ZINC001279624352 809175953 /nfs/dbraw/zinc/17/59/53/809175953.db2.gz HHRSEIFRHWTIJJ-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)C[C@H](C)CC(C)(C)C)CC1 ZINC001279644126 809177305 /nfs/dbraw/zinc/17/73/05/809177305.db2.gz NELSTUQVUJDKJR-HNNXBMFYSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCCC(=O)NCc1ccccc1C[N@H+](C)CC(C)C ZINC001280314731 809184802 /nfs/dbraw/zinc/18/48/02/809184802.db2.gz BHFJGOGFEMDDID-UHFFFAOYSA-N 1 1 288.435 3.357 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](C[C@H]2CCCC23CCOCC3)C1 ZINC001174889994 809191590 /nfs/dbraw/zinc/19/15/90/809191590.db2.gz CKPSSLOAQPJXGT-HZPDHXFCSA-N 1 1 263.425 3.481 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)/C=C\C(C)(C)C)CC1 ZINC001280712369 809195935 /nfs/dbraw/zinc/19/59/35/809195935.db2.gz XRUDOUBKSJIBOX-IUCKJTJTSA-N 1 1 298.858 3.312 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)C(CCC)CCC)CC1 ZINC001280755795 809197246 /nfs/dbraw/zinc/19/72/46/809197246.db2.gz GLKNAVMETUXXDP-KRWDZBQOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C/C=C(\C)C=C)CC1 ZINC001280758128 809197486 /nfs/dbraw/zinc/19/74/86/809197486.db2.gz ZUJPDJCTOYBNKG-HTRKUNOGSA-N 1 1 276.424 3.056 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C[C@H](C=C)CC)CC1 ZINC001280757055 809198045 /nfs/dbraw/zinc/19/80/45/809198045.db2.gz SJQZFPMHDUWPAE-CVEARBPZSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)C1=CCCCCC1 ZINC001280804316 809200003 /nfs/dbraw/zinc/20/00/03/809200003.db2.gz AEWHNXONERAQDB-UHFFFAOYSA-N 1 1 298.858 3.410 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCN(C)C(=O)C1=CCCCCC1 ZINC001280804316 809200008 /nfs/dbraw/zinc/20/00/08/809200008.db2.gz AEWHNXONERAQDB-UHFFFAOYSA-N 1 1 298.858 3.410 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC1(C)C ZINC001280802085 809200576 /nfs/dbraw/zinc/20/05/76/809200576.db2.gz DHSXIOIPCWAUBX-GJZGRUSLSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2)C[C@@H]1C ZINC001281644621 809216327 /nfs/dbraw/zinc/21/63/27/809216327.db2.gz MUUHLZXRFMUYLH-RDJZCZTQSA-N 1 1 286.419 3.236 20 30 CGEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)CC(C)C)C[C@H]1C ZINC001281684736 809217856 /nfs/dbraw/zinc/21/78/56/809217856.db2.gz KFPDUSHCWOAAGC-HZPDHXFCSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)CCC ZINC001281919819 809223298 /nfs/dbraw/zinc/22/32/98/809223298.db2.gz QFTNFFWRUPFNOX-GJZGRUSLSA-N 1 1 266.429 3.064 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)/C=C\C(C)(C)C ZINC001281928101 809224046 /nfs/dbraw/zinc/22/40/46/809224046.db2.gz JIIXOPBIWDMUTD-WOLCWHLNSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C(C)C)C2)C1 ZINC001281976022 809226761 /nfs/dbraw/zinc/22/67/61/809226761.db2.gz RVFUYDQZPTUICC-DLBZAZTESA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H](C)[N@@H+](C)CC1CC(C)(C)C1 ZINC001282444695 809248858 /nfs/dbraw/zinc/24/88/58/809248858.db2.gz VMGIAZQYQIVDEV-ZDUSSCGKSA-N 1 1 280.456 3.071 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)c1cc(F)cc(Cl)c1 ZINC001282470178 809249209 /nfs/dbraw/zinc/24/92/09/809249209.db2.gz YMNAORXNDBSPBE-NSHDSACASA-N 1 1 298.789 3.105 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@]1(C)C=CCC1 ZINC001282675110 809259469 /nfs/dbraw/zinc/25/94/69/809259469.db2.gz JVVCYUCZNOSPBJ-WMZOPIPTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@]1(C)C=CCC1 ZINC001282675108 809259693 /nfs/dbraw/zinc/25/96/93/809259693.db2.gz JVVCYUCZNOSPBJ-FUHWJXTLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC001283291912 809274421 /nfs/dbraw/zinc/27/44/21/809274421.db2.gz FZFUYXOFERUYEW-UHFFFAOYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC([N@H+](C)C[C@@H](F)CC)CC1 ZINC001283324770 809275832 /nfs/dbraw/zinc/27/58/32/809275832.db2.gz DWUTWYJSSMDJBS-YOEHRIQHSA-N 1 1 298.446 3.260 20 30 CGEDMO C#CCCCCCC(=O)N[C@@]12CCC[C@H]1[N@@H+](C(C)C)CC2 ZINC001284071779 809295474 /nfs/dbraw/zinc/29/54/74/809295474.db2.gz ZMLHZMUFGQETGK-SJLPKXTDSA-N 1 1 290.451 3.092 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)CCCC2CC2)[C@H]1C ZINC001284128257 809297364 /nfs/dbraw/zinc/29/73/64/809297364.db2.gz AVQIPFKUVAJNHL-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC(=O)NCC1=CC[N@@H+](CCCC2CCC2)CC1 ZINC001284889313 809319958 /nfs/dbraw/zinc/31/99/58/809319958.db2.gz KVAFVWXAQIAMOX-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1ccc(CNC(=O)CCC)c(F)c1 ZINC001284994707 809321707 /nfs/dbraw/zinc/32/17/07/809321707.db2.gz TVZQZQMCJAXJFV-UHFFFAOYSA-N 1 1 298.789 3.084 20 30 CGEDMO CCC#C[C@H](C)N1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001175351351 809372956 /nfs/dbraw/zinc/37/29/56/809372956.db2.gz LDBVKYPPTWBNBP-ROUUACIJSA-N 1 1 276.468 3.375 20 30 CGEDMO C=C[C@H](C(=O)OC)[N@@H+]1CCC(C)(C)[C@H](c2ccccc2)C1 ZINC001176566717 809718354 /nfs/dbraw/zinc/71/83/54/809718354.db2.gz CEJWKWDWAOSXMP-JKSUJKDBSA-N 1 1 287.403 3.230 20 30 CGEDMO C=C[C@H](C(=O)OC)[N@H+]1CCC(C)(C)[C@H](c2ccccc2)C1 ZINC001176566717 809718356 /nfs/dbraw/zinc/71/83/56/809718356.db2.gz CEJWKWDWAOSXMP-JKSUJKDBSA-N 1 1 287.403 3.230 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc(F)ccc1F ZINC001176767570 809759163 /nfs/dbraw/zinc/75/91/63/809759163.db2.gz NWCGPTQZYSZQBB-CYBMUJFWSA-N 1 1 294.345 3.334 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](C[C@H]2CCCC(C)(C)C2)C1 ZINC001180317514 809992099 /nfs/dbraw/zinc/99/20/99/809992099.db2.gz HRQAHWDZLJCVGA-LSDHHAIUSA-N 1 1 251.414 3.480 20 30 CGEDMO CC[C@H](CC#N)N[C@@H]1CC[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001180593899 810013422 /nfs/dbraw/zinc/01/34/22/810013422.db2.gz PVRIOMSFEVTNOC-CGTJXYLNSA-N 1 1 285.435 3.321 20 30 CGEDMO CC[C@H](CC#N)[NH2+][C@@H]1CC[C@H](C)N(Cc2ccccc2)C1 ZINC001180593899 810013423 /nfs/dbraw/zinc/01/34/23/810013423.db2.gz PVRIOMSFEVTNOC-CGTJXYLNSA-N 1 1 285.435 3.321 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(OC)c(OC)c1F ZINC001181315090 810047660 /nfs/dbraw/zinc/04/76/60/810047660.db2.gz JYRLTVXQZVSPSK-CYBMUJFWSA-N 1 1 279.355 3.383 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)c(OC)c1F ZINC001181315090 810047665 /nfs/dbraw/zinc/04/76/65/810047665.db2.gz JYRLTVXQZVSPSK-CYBMUJFWSA-N 1 1 279.355 3.383 20 30 CGEDMO C=CCn1ncc2ccc(N[C@@H]3CCC[N@H+](CC)C3)cc21 ZINC001184066475 810176635 /nfs/dbraw/zinc/17/66/35/810176635.db2.gz MKIGEXVUQIBUGF-MRXNPFEDSA-N 1 1 284.407 3.119 20 30 CGEDMO C#CC[N@H+](C[C@H](C)Cc1ccc(OC)c(F)c1)C(C)C ZINC001184115409 810178146 /nfs/dbraw/zinc/17/81/46/810178146.db2.gz GKBGRJUJCLOGGL-CQSZACIVSA-N 1 1 277.383 3.357 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC001188080328 810452216 /nfs/dbraw/zinc/45/22/16/810452216.db2.gz CCRFRPQIWZFMOO-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)c2sccc2C)C1 ZINC001188651370 810498523 /nfs/dbraw/zinc/49/85/23/810498523.db2.gz HMFXZMVQSOVXHJ-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)c2ccccc2C)C1 ZINC001188703348 810505075 /nfs/dbraw/zinc/50/50/75/810505075.db2.gz WJWZEOKGEKWHPO-INIZCTEOSA-N 1 1 286.419 3.108 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CCCF)[C@@H]2C1 ZINC001188824738 810516902 /nfs/dbraw/zinc/51/69/02/810516902.db2.gz KJCVCJUENZWYKK-JKSUJKDBSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@H+](CCCCC)C[C@H]21 ZINC001188896966 810521642 /nfs/dbraw/zinc/52/16/42/810521642.db2.gz QUGWGJMLJDLDRG-YESZJQIVSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CCC2CC2)C1 ZINC001189450172 810571050 /nfs/dbraw/zinc/57/10/50/810571050.db2.gz ORODUYWDEJUEJQ-ZBFHGGJFSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)c2oc(C)cc2C)C1 ZINC001189575185 810579943 /nfs/dbraw/zinc/57/99/43/810579943.db2.gz SGGUFBWOTYFLJS-OAHLLOKOSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)c2ccsc2C)C1 ZINC001190016579 810603452 /nfs/dbraw/zinc/60/34/52/810603452.db2.gz YQANESZBCUAQFJ-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001190246647 810615104 /nfs/dbraw/zinc/61/51/04/810615104.db2.gz DZWBGTJUQGFUDL-HRCADAONSA-N 1 1 292.467 3.168 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)C2(C)CC2)C1 ZINC001190278028 810616938 /nfs/dbraw/zinc/61/69/38/810616938.db2.gz FKWCLZDJEPXHOC-OAHLLOKOSA-N 1 1 280.456 3.290 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]([N@@H+](C)CC2CCCCC2)C1 ZINC001190436562 810628569 /nfs/dbraw/zinc/62/85/69/810628569.db2.gz WMQODAVJCDOFIY-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C#CC[N@H+](C[C@H](O)CCC(C)C)[C@@H]1CCc2ccccc21 ZINC001190527902 810633219 /nfs/dbraw/zinc/63/32/19/810633219.db2.gz ITPVJPWQPWCZNU-IEBWSBKVSA-N 1 1 285.431 3.406 20 30 CGEDMO C=CC[N@@H+](Cc1cccc2c1OC(F)(F)O2)C(C)C ZINC001190588585 810635813 /nfs/dbraw/zinc/63/58/13/810635813.db2.gz BDCHSKGRSLTEEP-UHFFFAOYSA-N 1 1 269.291 3.405 20 30 CGEDMO C#CC[N@H+](CCOc1cccc(OC)c1)C1CCCCC1 ZINC001190708445 810643920 /nfs/dbraw/zinc/64/39/20/810643920.db2.gz SHBBYDSYUXNNMX-UHFFFAOYSA-N 1 1 287.403 3.342 20 30 CGEDMO CCCCCCCCNC(=O)N1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001191068504 810669559 /nfs/dbraw/zinc/66/95/59/810669559.db2.gz PKFADZOUKMJNDV-HZPDHXFCSA-N 1 1 295.471 3.083 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)C2(CC(C)C)CCC2)C1 ZINC001191284943 810697084 /nfs/dbraw/zinc/69/70/84/810697084.db2.gz WKLLXHIONWKDMA-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2cc(C#N)ccn2)[C@@H]1c1ccccc1 ZINC001191400406 810710110 /nfs/dbraw/zinc/71/01/10/810710110.db2.gz OYTQHLRMAKZIQJ-DYVFJYSZSA-N 1 1 263.344 3.146 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccn2)[C@@H]1c1ccccc1 ZINC001191400406 810710116 /nfs/dbraw/zinc/71/01/16/810710116.db2.gz OYTQHLRMAKZIQJ-DYVFJYSZSA-N 1 1 263.344 3.146 20 30 CGEDMO CC#CC[N@H+](C)[C@H]1CCN(C(=O)C[C@H](CC)CCCC)C1 ZINC001191421821 810713499 /nfs/dbraw/zinc/71/34/99/810713499.db2.gz COCSKUUWTYOHCO-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C2(CCF)CC2)C1 ZINC001191507662 810721199 /nfs/dbraw/zinc/72/11/99/810721199.db2.gz NDVHPVLJTPMBLR-LSDHHAIUSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C2(C)CCCC2)C1 ZINC001191606930 810728057 /nfs/dbraw/zinc/72/80/57/810728057.db2.gz LAHQODHPDBUSSZ-HZPDHXFCSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C2(C)CCCC2)C1 ZINC001191606928 810728360 /nfs/dbraw/zinc/72/83/60/810728360.db2.gz LAHQODHPDBUSSZ-CVEARBPZSA-N 1 1 292.467 3.454 20 30 CGEDMO CCCCCCCCC[N@@H+](CC(N)=O)C(C)(C)C ZINC001191731954 810733641 /nfs/dbraw/zinc/73/36/41/810733641.db2.gz ZGDOWCOYLFIIOU-UHFFFAOYSA-N 1 1 256.434 3.323 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C2(C)CCC2)C1 ZINC001191755923 810736695 /nfs/dbraw/zinc/73/66/95/810736695.db2.gz ZVWFYWBADXYCTJ-LSDHHAIUSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)c2occc2Cl)C1 ZINC001192196585 810773603 /nfs/dbraw/zinc/77/36/03/810773603.db2.gz JDDLQCLFSNFCRZ-GFCCVEGCSA-N 1 1 296.798 3.046 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001192514274 810804866 /nfs/dbraw/zinc/80/48/66/810804866.db2.gz WVBRVLVVOXGEKX-HUUCEWRRSA-N 1 1 280.456 3.168 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC23CC3)C1 ZINC001192532751 810806609 /nfs/dbraw/zinc/80/66/09/810806609.db2.gz LCSYPMUHRYAOKB-HOTGVXAUSA-N 1 1 292.467 3.290 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[C@@H](C)CC)C1 ZINC001193017613 810841340 /nfs/dbraw/zinc/84/13/40/810841340.db2.gz NVMYJIUOEKQLEU-GXTWGEPZSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)CC[C@@H](C)CC)C1 ZINC001193017613 810841346 /nfs/dbraw/zinc/84/13/46/810841346.db2.gz NVMYJIUOEKQLEU-GXTWGEPZSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)CC[C@H](C)CC)C1 ZINC001193017616 810841475 /nfs/dbraw/zinc/84/14/75/810841475.db2.gz NVMYJIUOEKQLEU-OCCSQVGLSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)CC[C@H](C)CC)C1 ZINC001193017616 810841481 /nfs/dbraw/zinc/84/14/81/810841481.db2.gz NVMYJIUOEKQLEU-OCCSQVGLSA-N 1 1 286.847 3.098 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)C(CC)(CC)CC)C1 ZINC001193055980 810848993 /nfs/dbraw/zinc/84/89/93/810848993.db2.gz CTGLKNOXRYTKIZ-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)CC(CC)CC)C1 ZINC001193099539 810856666 /nfs/dbraw/zinc/85/66/66/810856666.db2.gz NGOHZIIOJHOQSI-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1cnc(N(C)C)c2ccccc12 ZINC001193363643 810878598 /nfs/dbraw/zinc/87/85/98/810878598.db2.gz IGMAMNCDDHTIGF-UHFFFAOYSA-N 1 1 281.403 3.144 20 30 CGEDMO C#CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)CCCCCC)C1 ZINC001193416393 810886169 /nfs/dbraw/zinc/88/61/69/810886169.db2.gz CIXOKBQAHRIUGE-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO CCCCCCCOC(=O)N1CC[C@@H]([N@@H+](C)C2CC2)C1 ZINC001194003840 810998550 /nfs/dbraw/zinc/99/85/50/810998550.db2.gz AOLORZPONQYUTC-OAHLLOKOSA-N 1 1 282.428 3.262 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)C[C@@H](C)CC(C)(C)C)n1 ZINC001194010721 810999554 /nfs/dbraw/zinc/99/95/54/810999554.db2.gz YRJAPDCVIWUXPD-HNNXBMFYSA-N 1 1 275.440 3.411 20 30 CGEDMO CCCCCCCOC(=O)N[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001194019363 811003974 /nfs/dbraw/zinc/00/39/74/811003974.db2.gz JDTSWLYJWBRGIP-HNNXBMFYSA-N 1 1 284.444 3.413 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001194344541 811055839 /nfs/dbraw/zinc/05/58/39/811055839.db2.gz CJIRCUZIQONNGU-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)c2ccc(C)s2)CC1 ZINC001194674441 811105186 /nfs/dbraw/zinc/10/51/86/811105186.db2.gz ZRVYWFTWVITPBS-UHFFFAOYSA-N 1 1 292.448 3.171 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C[C@H](C)SC)CC1 ZINC001195540772 811266376 /nfs/dbraw/zinc/26/63/76/811266376.db2.gz HDIGXOCFCGIOCL-GJZGRUSLSA-N 1 1 298.496 3.017 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)N1CC[N@@H+](C)[C@@H](C(C)(C)C)C1 ZINC001195671057 811278466 /nfs/dbraw/zinc/27/84/66/811278466.db2.gz XDMYPIMUSZUWGI-WMLDXEAASA-N 1 1 285.435 3.281 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCN(C)[C@@H](C(C)(C)C)C1 ZINC001195671057 811278471 /nfs/dbraw/zinc/27/84/71/811278471.db2.gz XDMYPIMUSZUWGI-WMLDXEAASA-N 1 1 285.435 3.281 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCN(C)[C@@H](C(C)(C)C)C1 ZINC001195671057 811278475 /nfs/dbraw/zinc/27/84/75/811278475.db2.gz XDMYPIMUSZUWGI-WMLDXEAASA-N 1 1 285.435 3.281 20 30 CGEDMO CC(C)CCC[N@H+]1CCCN(C(=O)C#CC(C)(C)C)CC1 ZINC001195785132 811290884 /nfs/dbraw/zinc/29/08/84/811290884.db2.gz DORNOHXOANCXPW-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C2(CCF)CC2)CC1 ZINC001196626956 811354998 /nfs/dbraw/zinc/35/49/98/811354998.db2.gz MNPCIJBPKSQDDR-OAHLLOKOSA-N 1 1 296.430 3.015 20 30 CGEDMO C[N@@H+](C[C@@H]1CCCC12CCOCC2)[C@@H]1CCC[C@H]1C#N ZINC001196834048 811373089 /nfs/dbraw/zinc/37/30/89/811373089.db2.gz WFQMPCZYCQJZIM-HRCADAONSA-N 1 1 276.424 3.207 20 30 CGEDMO C[N@H+](Cc1ccc2cnccc2c1)[C@@H]1CCC[C@@H]1C#N ZINC001196833559 811373898 /nfs/dbraw/zinc/37/38/98/811373898.db2.gz STITUEHTAXLJHF-NVXWUHKLSA-N 1 1 265.360 3.359 20 30 CGEDMO C[N@@H+](Cc1ccc2cnccc2c1)[C@@H]1CCC[C@@H]1C#N ZINC001196833559 811373905 /nfs/dbraw/zinc/37/39/05/811373905.db2.gz STITUEHTAXLJHF-NVXWUHKLSA-N 1 1 265.360 3.359 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CCC[N@H+](C[C@H](C)CC)CC1 ZINC001196881135 811376695 /nfs/dbraw/zinc/37/66/95/811376695.db2.gz QBGVCQITEUIBCV-CVEARBPZSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCCC(=O)N1CCC[N@H+](CC/C=C/CC)CC1 ZINC001197000196 811388617 /nfs/dbraw/zinc/38/86/17/811388617.db2.gz LNGXRLXXEARLAQ-FNORWQNLSA-N 1 1 278.440 3.233 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC001197082111 811396968 /nfs/dbraw/zinc/39/69/68/811396968.db2.gz BPQPDKRNEBPAJN-GVDBMIGSSA-N 1 1 292.467 3.312 20 30 CGEDMO CC#CC[N@@H+]1CCCN(C(=O)[C@H](C)CCC(C)(C)C)CC1 ZINC001197842354 811457279 /nfs/dbraw/zinc/45/72/79/811457279.db2.gz JWTSSFQVGBQTSP-MRXNPFEDSA-N 1 1 292.467 3.006 20 30 CGEDMO CC#CC[N@H+]1CCCN(C(=O)[C@H](C)CCC(C)(C)C)CC1 ZINC001197842354 811457287 /nfs/dbraw/zinc/45/72/87/811457287.db2.gz JWTSSFQVGBQTSP-MRXNPFEDSA-N 1 1 292.467 3.006 20 30 CGEDMO C#CC[N@H+](CCC(=O)OC(C)C)[C@@H]1CCCc2ccccc21 ZINC001198103871 811476475 /nfs/dbraw/zinc/47/64/75/811476475.db2.gz KPMYRMDSPGKCTA-GOSISDBHSA-N 1 1 299.414 3.341 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]2CC[C@]21CNC(=O)OC(C)(C)C ZINC001198188355 811483496 /nfs/dbraw/zinc/48/34/96/811483496.db2.gz YYZCIZQUNVWNNQ-PBHICJAKSA-N 1 1 294.439 3.332 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C[C@H](C)C2CC2)CC1 ZINC001198274970 811489996 /nfs/dbraw/zinc/48/99/96/811489996.db2.gz WDCACDKPUWWSAA-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CCC[N@@H+]1CCCN(C(=O)[C@@H](CCC)CC(C)C)CC1 ZINC001198309192 811491419 /nfs/dbraw/zinc/49/14/19/811491419.db2.gz BHWIIKCCDSXCMQ-KRWDZBQOSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)C(=O)NCc1ccccc1F ZINC001198457501 811505765 /nfs/dbraw/zinc/50/57/65/811505765.db2.gz BNJHWVVDMIJSBS-CQSZACIVSA-N 1 1 292.398 3.119 20 30 CGEDMO C#C[C@H]1CCCC[N@@H+]1Cc1cnc(N(C)C)c2ccccc12 ZINC001198525508 811511411 /nfs/dbraw/zinc/51/14/11/811511411.db2.gz NFJGCDVCWFVYCU-INIZCTEOSA-N 1 1 293.414 3.289 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](CC(C)(C)C)[C@@H]2CC ZINC001201434169 811845605 /nfs/dbraw/zinc/84/56/05/811845605.db2.gz DPXXDMGPZMURLO-QAPCUYQASA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](C[C@@H](C)CC)[C@@H]2CC ZINC001201502122 811870523 /nfs/dbraw/zinc/87/05/23/811870523.db2.gz GVRNGLAQVUSRNF-JZXOWHBKSA-N 1 1 292.467 3.454 20 30 CGEDMO CC[C@@H](C)C[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001201517257 811881364 /nfs/dbraw/zinc/88/13/64/811881364.db2.gz PCDOVQDREBDDEB-RHSMWYFYSA-N 1 1 272.392 3.448 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](CCCC)[C@H]2CC ZINC001201706111 811942342 /nfs/dbraw/zinc/94/23/42/811942342.db2.gz KBZXSGLXYWNYAQ-RDJZCZTQSA-N 1 1 278.440 3.208 20 30 CGEDMO CCCC[N@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001201715488 811944700 /nfs/dbraw/zinc/94/47/00/811944700.db2.gz XQIIUHBIFGGWBQ-INIZCTEOSA-N 1 1 258.365 3.202 20 30 CGEDMO CCCCCCC[N@@H+]1Cc2cnn(C)c2[C@@H](COCC)C1 ZINC001201762768 811963356 /nfs/dbraw/zinc/96/33/56/811963356.db2.gz UFSLEIITLDEKHL-MRXNPFEDSA-N 1 1 293.455 3.326 20 30 CGEDMO CCCCCCCC[N@H+]1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001201804298 811965948 /nfs/dbraw/zinc/96/59/48/811965948.db2.gz HOJBYCBRDLFZLD-OLZOCXBDSA-N 1 1 281.362 3.450 20 30 CGEDMO CCCCCCCCN1CC[NH+](CCCOC)CC1 ZINC001201826340 811967326 /nfs/dbraw/zinc/96/73/26/811967326.db2.gz SMAGIQOKFJNMHK-UHFFFAOYSA-N 1 1 270.461 3.001 20 30 CGEDMO CCCCCCCCN1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001201826313 811968286 /nfs/dbraw/zinc/96/82/86/811968286.db2.gz RLDRGFSPHWPGEE-JKSUJKDBSA-N 1 1 252.446 3.373 20 30 CGEDMO CCCCCCCC[N@@H+]1[C@@H](C(=O)OC)[C@@H]2CC[C@H]1C2 ZINC001201839809 811968998 /nfs/dbraw/zinc/96/89/98/811968998.db2.gz JVTQAFSZNDFVRC-QLFBSQMISA-N 1 1 267.413 3.373 20 30 CGEDMO CCCCCCCCCC[N@H+]1CC[C@](C)(CO)[C@H](O)C1 ZINC001201852844 811972748 /nfs/dbraw/zinc/97/27/48/811972748.db2.gz OLHSFHOTPPMHCY-IAGOWNOFSA-N 1 1 285.472 3.192 20 30 CGEDMO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](CC1CCCC1)C2 ZINC001202167272 812027955 /nfs/dbraw/zinc/02/79/55/812027955.db2.gz NQLFTXKSEPHPMS-SJORKVTESA-N 1 1 279.424 3.003 20 30 CGEDMO FC[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1C(F)(F)F ZINC001202308101 812061192 /nfs/dbraw/zinc/06/11/92/812061192.db2.gz RRIUJJCQBJTSJJ-RNFRBKRXSA-N 1 1 267.188 3.019 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(C)cc(C)c1 ZINC001202851989 812187060 /nfs/dbraw/zinc/18/70/60/812187060.db2.gz FIZHIGLWKDDUNF-INIZCTEOSA-N 1 1 287.407 3.075 20 30 CGEDMO C=CCC[N@H+](Cc1cc(C)n[nH]1)Cc1ccccc1 ZINC001203076746 812233374 /nfs/dbraw/zinc/23/33/74/812233374.db2.gz JLMFMLJOOBFZGG-UHFFFAOYSA-N 1 1 255.365 3.296 20 30 CGEDMO CC1(C)C[N@@H+](Cc2cccc(C#N)c2)CCC1(F)F ZINC001203757372 812456913 /nfs/dbraw/zinc/45/69/13/812456913.db2.gz LWXFFYLMZNUPAS-UHFFFAOYSA-N 1 1 264.319 3.425 20 30 CGEDMO C=CC[N@H+](Cc1cc(OC)cc(OC)c1)C(C)(C)C ZINC001203858096 812475239 /nfs/dbraw/zinc/47/52/39/812475239.db2.gz DDOMBSBQANJSDU-UHFFFAOYSA-N 1 1 263.381 3.490 20 30 CGEDMO C#CC[N@H+](Cc1ccc(O)c(O)c1)[C@@H]1CCc2ccccc21 ZINC001203882222 812480013 /nfs/dbraw/zinc/48/00/13/812480013.db2.gz GJKOSHOLOYFZLK-QGZVFWFLSA-N 1 1 293.366 3.221 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H]2COCc2ccccc2)cc1 ZINC001203903236 812488109 /nfs/dbraw/zinc/48/81/09/812488109.db2.gz BEWTYMXMEMZEPL-IBGZPJMESA-N 1 1 292.382 3.349 20 30 CGEDMO C[N@@H+](CCCC(=O)c1cccnc1)Cc1ccc(C#N)cc1 ZINC001203905250 812488190 /nfs/dbraw/zinc/48/81/90/812488190.db2.gz ALLHYRFOECCHEX-UHFFFAOYSA-N 1 1 293.370 3.048 20 30 CGEDMO O=C1C=C2C[N@@H+](Cc3ccnc4ccccc34)CCC2S1 ZINC001204083708 812544815 /nfs/dbraw/zinc/54/48/15/812544815.db2.gz WCCQTTKRMYSXME-INIZCTEOSA-N 1 1 296.395 3.009 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3ccnc4ccccc34)CCC2S1 ZINC001204083708 812544818 /nfs/dbraw/zinc/54/48/18/812544818.db2.gz WCCQTTKRMYSXME-INIZCTEOSA-N 1 1 296.395 3.009 20 30 CGEDMO O=C1C=C2C[N@@H+](Cc3ccnc4ccccc34)CCC2S1 ZINC001204083709 812544844 /nfs/dbraw/zinc/54/48/44/812544844.db2.gz WCCQTTKRMYSXME-MRXNPFEDSA-N 1 1 296.395 3.009 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3ccnc4ccccc34)CCC2S1 ZINC001204083709 812544850 /nfs/dbraw/zinc/54/48/50/812544850.db2.gz WCCQTTKRMYSXME-MRXNPFEDSA-N 1 1 296.395 3.009 20 30 CGEDMO CN(C)c1ccc(C[N@H+](C)CCC#N)c2ccccc21 ZINC001204233970 812582085 /nfs/dbraw/zinc/58/20/85/812582085.db2.gz VIPMRSOQYALMKX-UHFFFAOYSA-N 1 1 267.376 3.251 20 30 CGEDMO CN(C)c1ccc(C[N@@H+](C)CCC#N)c2ccccc21 ZINC001204233970 812582088 /nfs/dbraw/zinc/58/20/88/812582088.db2.gz VIPMRSOQYALMKX-UHFFFAOYSA-N 1 1 267.376 3.251 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@@H](CC#N)C2)c2ccccc21 ZINC001204325956 812614576 /nfs/dbraw/zinc/61/45/76/812614576.db2.gz RTRAAKSDAJHTDX-AWEZNQCLSA-N 1 1 267.376 3.304 20 30 CGEDMO C=CC[NH+]1CCN(Cc2ccc3cc(OC)ccc3c2)CC1 ZINC001204514469 812663607 /nfs/dbraw/zinc/66/36/07/812663607.db2.gz KHKFFDSZCIBORI-UHFFFAOYSA-N 1 1 296.414 3.152 20 30 CGEDMO C#CC[N@H+](Cc1cc(F)cc(OCC)c1)CC1CC1 ZINC001204640191 812699081 /nfs/dbraw/zinc/69/90/81/812699081.db2.gz DHBIZLLTKONZGV-UHFFFAOYSA-N 1 1 261.340 3.070 20 30 CGEDMO CC(C)(C)CO[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001204886760 812763325 /nfs/dbraw/zinc/76/33/25/812763325.db2.gz LSMKVUARDJSMSC-MRXNPFEDSA-N 1 1 272.392 3.195 20 30 CGEDMO CC(C)(C)CO[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001204886760 812763331 /nfs/dbraw/zinc/76/33/31/812763331.db2.gz LSMKVUARDJSMSC-MRXNPFEDSA-N 1 1 272.392 3.195 20 30 CGEDMO N#Cc1ccc(CO[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001205595917 813016070 /nfs/dbraw/zinc/01/60/70/813016070.db2.gz STMFKICQXMBGND-IBGZPJMESA-N 1 1 292.382 3.349 20 30 CGEDMO C=CCCCCCCCCC[N@H+]1CCCC[C@@](O)(CN)C1 ZINC001205666067 813047874 /nfs/dbraw/zinc/04/78/74/813047874.db2.gz ZIKRPVLGBSJJSZ-GOSISDBHSA-N 1 1 296.499 3.469 20 30 CGEDMO C=CCCCCCCCCC[N@@H+]1CCCC[C@@](O)(CN)C1 ZINC001205666067 813047882 /nfs/dbraw/zinc/04/78/82/813047882.db2.gz ZIKRPVLGBSJJSZ-GOSISDBHSA-N 1 1 296.499 3.469 20 30 CGEDMO C=CCCCCCCCC[N@H+]1CCNC[C@@H](C)C1 ZINC001206269410 813264278 /nfs/dbraw/zinc/26/42/78/813264278.db2.gz LXSPKHLISRNAHO-MRXNPFEDSA-N 1 1 252.446 3.444 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CCNC[C@@H](C)C1 ZINC001206269410 813264286 /nfs/dbraw/zinc/26/42/86/813264286.db2.gz LXSPKHLISRNAHO-MRXNPFEDSA-N 1 1 252.446 3.444 20 30 CGEDMO C=CCCCCCCCCN1CC[NH2+]C[C@@H](C)C1 ZINC001206269410 813264287 /nfs/dbraw/zinc/26/42/87/813264287.db2.gz LXSPKHLISRNAHO-MRXNPFEDSA-N 1 1 252.446 3.444 20 30 CGEDMO C=CCCCCCCCC[N@H+]1CCNC[C@H](C)C1 ZINC001206269409 813265088 /nfs/dbraw/zinc/26/50/88/813265088.db2.gz LXSPKHLISRNAHO-INIZCTEOSA-N 1 1 252.446 3.444 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CCNC[C@H](C)C1 ZINC001206269409 813265093 /nfs/dbraw/zinc/26/50/93/813265093.db2.gz LXSPKHLISRNAHO-INIZCTEOSA-N 1 1 252.446 3.444 20 30 CGEDMO C=CCCCCCCCCN1CC[NH2+]C[C@H](C)C1 ZINC001206269409 813265097 /nfs/dbraw/zinc/26/50/97/813265097.db2.gz LXSPKHLISRNAHO-INIZCTEOSA-N 1 1 252.446 3.444 20 30 CGEDMO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC001206569492 813356970 /nfs/dbraw/zinc/35/69/70/813356970.db2.gz WCTDPCMXORUNIH-SJORKVTESA-N 1 1 272.392 3.256 20 30 CGEDMO COc1cc(C)ccc1C[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001206740385 813415830 /nfs/dbraw/zinc/41/58/30/813415830.db2.gz DSXLDOGAWXCDSS-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO COc1cc(C)ccc1C[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001206740385 813415836 /nfs/dbraw/zinc/41/58/36/813415836.db2.gz DSXLDOGAWXCDSS-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO Cc1cc(CN2CCCC[C@H]2[C@@H](C)C[NH+](C)C)ccc1C#N ZINC001206801469 813440054 /nfs/dbraw/zinc/44/00/54/813440054.db2.gz WNUHMTUCZDLMOO-LPHOPBHVSA-N 1 1 299.462 3.419 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCCC(C)(C)C)C1 ZINC001207085343 813482491 /nfs/dbraw/zinc/48/24/91/813482491.db2.gz PELYRSRVUKYASB-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO CCc1ccc2c(c1)C[N@@H+](Cc1cccc(C#N)n1)CC2 ZINC001207862304 813663063 /nfs/dbraw/zinc/66/30/63/813663063.db2.gz VIUHCSSMAWTPDN-UHFFFAOYSA-N 1 1 277.371 3.074 20 30 CGEDMO CCc1ccc2c(c1)C[N@H+](Cc1cccc(C#N)n1)CC2 ZINC001207862304 813663066 /nfs/dbraw/zinc/66/30/66/813663066.db2.gz VIUHCSSMAWTPDN-UHFFFAOYSA-N 1 1 277.371 3.074 20 30 CGEDMO CCCCCCC/C=C/C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC001208120467 813698506 /nfs/dbraw/zinc/69/85/06/813698506.db2.gz QHNUZFYWYQOKOZ-IJDCCNJMSA-N 1 1 281.440 3.394 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC001208120467 813698510 /nfs/dbraw/zinc/69/85/10/813698510.db2.gz QHNUZFYWYQOKOZ-IJDCCNJMSA-N 1 1 281.440 3.394 20 30 CGEDMO C=CCOC(=O)N[C@@H]1CCC[N@H+](CCC/C=C\CC)C1 ZINC001208136642 813702557 /nfs/dbraw/zinc/70/25/57/813702557.db2.gz BNTVNTYLUJESFC-IYKSTZQJSA-N 1 1 280.412 3.109 20 30 CGEDMO CC1=C[C@H](C)[C@H](C[N@H+]2CCC3SC(=O)C=C3C2)CC1 ZINC001208163487 813719193 /nfs/dbraw/zinc/71/91/93/813719193.db2.gz WTPFLLRTTRRUGO-KCQAQPDRSA-N 1 1 277.433 3.253 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@H](N3CCCC3)C2)CC1 ZINC001208177321 813728532 /nfs/dbraw/zinc/72/85/32/813728532.db2.gz QMVPNVNFNVDNDH-MSOLQXFVSA-N 1 1 274.452 3.459 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@H](N3CCCC3)C2)CC1 ZINC001208177321 813728537 /nfs/dbraw/zinc/72/85/37/813728537.db2.gz QMVPNVNFNVDNDH-MSOLQXFVSA-N 1 1 274.452 3.459 20 30 CGEDMO C=C(C)[C@@H]1CC=C(CN2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC001208177720 813729555 /nfs/dbraw/zinc/72/95/55/813729555.db2.gz XPGNLHCJLWGUML-MSOLQXFVSA-N 1 1 274.452 3.459 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@@H]3C[C@H](C2)C3C(=O)OC)CC1 ZINC001208179170 813730511 /nfs/dbraw/zinc/73/05/11/813730511.db2.gz PKOXZEWIHOJWFL-VPSFDDGASA-N 1 1 289.419 3.030 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](C)CC(C)C)C[C@H]1C ZINC001208313314 813753970 /nfs/dbraw/zinc/75/39/70/813753970.db2.gz ZXGVDFGVVPWVGP-ARFHVFGLSA-N 1 1 294.483 3.317 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1C ZINC001208315036 813754217 /nfs/dbraw/zinc/75/42/17/813754217.db2.gz GXFXDKXUYHUNBM-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC2CC2)C1 ZINC001208382727 813758542 /nfs/dbraw/zinc/75/85/42/813758542.db2.gz MNOSRNYIXJIAPB-BFYDXBDKSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CC(CC)CC)C[C@H]1C ZINC001208512042 813764565 /nfs/dbraw/zinc/76/45/65/813764565.db2.gz SUTLOOWFIGUODE-KYJSFNMBSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2C[N@@H+](CCCCC)C[C@H]2C)CCC1 ZINC001208517231 813765100 /nfs/dbraw/zinc/76/51/00/813765100.db2.gz DUJKPZBIZUUXJG-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](C[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC001208591932 813768722 /nfs/dbraw/zinc/76/87/22/813768722.db2.gz PTQKFWGJEOPRLA-ICSRJNTNSA-N 1 1 296.458 3.386 20 30 CGEDMO C#C[C@H]1CCCN(C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC001208591932 813768726 /nfs/dbraw/zinc/76/87/26/813768726.db2.gz PTQKFWGJEOPRLA-ICSRJNTNSA-N 1 1 296.458 3.386 20 30 CGEDMO C#C[C@H]1CCCN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001208591932 813768730 /nfs/dbraw/zinc/76/87/30/813768730.db2.gz PTQKFWGJEOPRLA-ICSRJNTNSA-N 1 1 296.458 3.386 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001208731815 813821313 /nfs/dbraw/zinc/82/13/13/813821313.db2.gz SXRCJIRDRSZLIK-QBPKDAKJSA-N 1 1 292.467 3.215 20 30 CGEDMO N#C[C@H]1CC[N@@H+](CCCc2cccc(Br)c2)C1 ZINC001208825492 813856622 /nfs/dbraw/zinc/85/66/22/813856622.db2.gz HLNRCRVFGGNLJU-CYBMUJFWSA-N 1 1 293.208 3.227 20 30 CGEDMO N#C[C@H]1CC[N@H+](CCCc2cccc(Br)c2)C1 ZINC001208825492 813856630 /nfs/dbraw/zinc/85/66/30/813856630.db2.gz HLNRCRVFGGNLJU-CYBMUJFWSA-N 1 1 293.208 3.227 20 30 CGEDMO N#Cc1cccc(CCC[N@H+]2CCc3occc3C2)c1 ZINC001208850579 813864775 /nfs/dbraw/zinc/86/47/75/813864775.db2.gz FBAZDAOQIJULMH-UHFFFAOYSA-N 1 1 266.344 3.142 20 30 CGEDMO N#Cc1ccc(CCC[N@H+]2CC[C@@]3(C2)CCCCO3)cc1 ZINC001208855644 813868713 /nfs/dbraw/zinc/86/87/13/813868713.db2.gz DOXXFGICVKXNDZ-GOSISDBHSA-N 1 1 284.403 3.136 20 30 CGEDMO N#Cc1ccc(CC[N@@H+]2CCCC[C@H]2CN2CCCC2)cc1 ZINC001208926391 813902121 /nfs/dbraw/zinc/90/21/21/813902121.db2.gz REDCCBIDEJYVLR-IBGZPJMESA-N 1 1 297.446 3.051 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCCC[C@H]2CN2CCCC2)cc1 ZINC001208926391 813902127 /nfs/dbraw/zinc/90/21/27/813902127.db2.gz REDCCBIDEJYVLR-IBGZPJMESA-N 1 1 297.446 3.051 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CCC)C(C)C)C1 ZINC001209038090 813921268 /nfs/dbraw/zinc/92/12/68/813921268.db2.gz IXOIHHMXCNSTCR-BZUAXINKSA-N 1 1 280.456 3.071 20 30 CGEDMO COC(=O)CCCCCCCCC[N@H+]1CC[C@H](C#N)C1 ZINC001209098747 813932705 /nfs/dbraw/zinc/93/27/05/813932705.db2.gz UYNIHNMZBWQZGY-OAHLLOKOSA-N 1 1 280.412 3.126 20 30 CGEDMO CC1(C#N)CC[NH+](CCc2cc(F)cc(F)c2)CC1 ZINC001209140798 813946532 /nfs/dbraw/zinc/94/65/32/813946532.db2.gz NVQXSXPAOXOGHT-UHFFFAOYSA-N 1 1 264.319 3.133 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001209163995 813953016 /nfs/dbraw/zinc/95/30/16/813953016.db2.gz QNHVLJITAIFAPP-QGZVFWFLSA-N 1 1 270.376 3.368 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H](N2Cc3ccccc3C2=O)C1 ZINC001209163701 813953182 /nfs/dbraw/zinc/95/31/82/813953182.db2.gz HXSDHVRAMRXEIX-MRXNPFEDSA-N 1 1 284.403 3.073 20 30 CGEDMO C=CCCC[N@H+]1C[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C1 ZINC001209162993 813953708 /nfs/dbraw/zinc/95/37/08/813953708.db2.gz SCOZCVPPUDPZSV-KGLIPLIRSA-N 1 1 282.428 3.188 20 30 CGEDMO C=CCCC[N@H+](C[C@@H](O)c1ccccc1OC)C(C)C ZINC001209161708 813953727 /nfs/dbraw/zinc/95/37/27/813953727.db2.gz BOVSJTVNMPKBSG-MRXNPFEDSA-N 1 1 277.408 3.405 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H](N2Cc3ccccc3NC2=O)C1 ZINC001209164295 813954780 /nfs/dbraw/zinc/95/47/80/813954780.db2.gz WPOQNZVOWKTBMJ-HNNXBMFYSA-N 1 1 285.391 3.075 20 30 CGEDMO C=CCCC[N@@H+](C1CCCC1)C1CCN(C)CC1 ZINC001209164548 813955107 /nfs/dbraw/zinc/95/51/07/813955107.db2.gz DLRYVMUBCWRCNI-UHFFFAOYSA-N 1 1 250.430 3.291 20 30 CGEDMO C=CCCC[N@@H+]1CCn2c(-c3ccccc3)cnc2C1 ZINC001209164191 813955169 /nfs/dbraw/zinc/95/51/69/813955169.db2.gz USLTYMYQICKNGX-UHFFFAOYSA-N 1 1 267.376 3.332 20 30 CGEDMO C=CCCC[N@H+]1CCn2c(-c3ccccc3)cnc2C1 ZINC001209164191 813955174 /nfs/dbraw/zinc/95/51/74/813955174.db2.gz USLTYMYQICKNGX-UHFFFAOYSA-N 1 1 267.376 3.332 20 30 CGEDMO C=CCCCC[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC001209199887 813963980 /nfs/dbraw/zinc/96/39/80/813963980.db2.gz CXWOFIWHTMCTLB-UHFFFAOYSA-N 1 1 270.417 3.189 20 30 CGEDMO C=CCCCC[N@@H+]1C[C@@H]2C[C@@H](CN(Cc3ccco3)C2)C1 ZINC001209202201 813964216 /nfs/dbraw/zinc/96/42/16/813964216.db2.gz BXOICKLUVCKTAA-CALCHBBNSA-N 1 1 288.435 3.390 20 30 CGEDMO C=CCCCC[N@H+]1Cc2c(cnn2CC)[C@@H](COCC)C1 ZINC001209200517 813964983 /nfs/dbraw/zinc/96/49/83/813964983.db2.gz KUZHWTKKQGMJOR-OAHLLOKOSA-N 1 1 291.439 3.195 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@@]2(C[C@H](CCOC)CO2)C1 ZINC001209203595 813966229 /nfs/dbraw/zinc/96/62/29/813966229.db2.gz PXJMIOXGZVQFLJ-DLBZAZTESA-N 1 1 281.440 3.250 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@H](C(=O)OCC)[C@H]1C ZINC001209204667 813967363 /nfs/dbraw/zinc/96/73/63/813967363.db2.gz HIWNXWYOOUYGEP-KGLIPLIRSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CCCCC[N@@H+]1CCCC[C@H](C(=O)OCC)C1 ZINC001209207226 813968764 /nfs/dbraw/zinc/96/87/64/813968764.db2.gz PFSFOXMWMKIFHR-AWEZNQCLSA-N 1 1 253.386 3.008 20 30 CGEDMO C#CCCC[N@H+](CC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001209266507 813988837 /nfs/dbraw/zinc/98/88/37/813988837.db2.gz TYVYQEHNZSEGJS-UHFFFAOYSA-N 1 1 294.439 3.121 20 30 CGEDMO C#CCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1CCC ZINC001209269844 813989243 /nfs/dbraw/zinc/98/92/43/813989243.db2.gz QZILLXQWLPTVBL-OAHLLOKOSA-N 1 1 294.439 3.121 20 30 CGEDMO C#CCCC[N@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001209269713 813989706 /nfs/dbraw/zinc/98/97/06/813989706.db2.gz OKIUFNMASGNXQC-UHFFFAOYSA-N 1 1 260.768 3.469 20 30 CGEDMO C#CCCC[N@@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001209269713 813989710 /nfs/dbraw/zinc/98/97/10/813989710.db2.gz OKIUFNMASGNXQC-UHFFFAOYSA-N 1 1 260.768 3.469 20 30 CGEDMO C#CCCC[N@@H+]1CCc2ccc(C(F)(F)F)cc2C1 ZINC001209266509 813989979 /nfs/dbraw/zinc/98/99/79/813989979.db2.gz UDMOWSQONMAZSQ-UHFFFAOYSA-N 1 1 267.294 3.477 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]2OCCC[C@@]2(COC)C1 ZINC001209425066 814025431 /nfs/dbraw/zinc/02/54/31/814025431.db2.gz YYXLLIVZKHANHX-IRXDYDNUSA-N 1 1 281.440 3.250 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001209423421 814025666 /nfs/dbraw/zinc/02/56/66/814025666.db2.gz PMJDQACRLYCAPM-STQMWFEESA-N 1 1 279.346 3.368 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2OC ZINC001209423691 814025913 /nfs/dbraw/zinc/02/59/13/814025913.db2.gz CAFTZAOZHGECOR-OWCLPIDISA-N 1 1 251.414 3.480 20 30 CGEDMO C=CCCCCC[N@H+]1Cc2cnn(C)c2[C@@H](COCC)C1 ZINC001209424318 814026271 /nfs/dbraw/zinc/02/62/71/814026271.db2.gz PCMXXNJESDVUEL-MRXNPFEDSA-N 1 1 291.439 3.102 20 30 CGEDMO C=CCCCCCC[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC001209431768 814031294 /nfs/dbraw/zinc/03/12/94/814031294.db2.gz SNRJZKYFOYXDRB-CYBMUJFWSA-N 1 1 261.356 3.072 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@H](NC(=O)OCC=C)C1 ZINC001209431441 814032195 /nfs/dbraw/zinc/03/21/95/814032195.db2.gz NYOPYMNXPGYFKJ-HNNXBMFYSA-N 1 1 280.412 3.109 20 30 CGEDMO C=CCCCCCCN1CC([NH+]2CCC(F)CC2)C1 ZINC001209435954 814037386 /nfs/dbraw/zinc/03/73/86/814037386.db2.gz LEZOZXJHGWTCES-UHFFFAOYSA-N 1 1 268.420 3.241 20 30 CGEDMO C=CCCCCCCC[NH+]1CCN(C2CCOCC2)CC1 ZINC001209439368 814038737 /nfs/dbraw/zinc/03/87/37/814038737.db2.gz NJYGSMFCGZTARQ-UHFFFAOYSA-N 1 1 294.483 3.310 20 30 CGEDMO C=CCCCCCC[N@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC001209441237 814041793 /nfs/dbraw/zinc/04/17/93/814041793.db2.gz WHMWBGYNQFUIHK-AWEZNQCLSA-N 1 1 272.383 3.148 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CC[C@@](F)(C(=O)OC)C1 ZINC001209443612 814042505 /nfs/dbraw/zinc/04/25/05/814042505.db2.gz XBAGWAGPFUGVNW-INIZCTEOSA-N 1 1 285.403 3.490 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1C[C@H](F)C[C@H]1CO ZINC001209442235 814042550 /nfs/dbraw/zinc/04/25/50/814042550.db2.gz CDZLVOIKGPGKCF-CABCVRRESA-N 1 1 257.393 3.308 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CC[C@@H]2[C@H](CCC(=O)N2C)C1 ZINC001209443332 814042960 /nfs/dbraw/zinc/04/29/60/814042960.db2.gz QTCKZKIDOMSUPA-IAGOWNOFSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CCOC[C@@H]1COC ZINC001209446287 814046442 /nfs/dbraw/zinc/04/64/42/814046442.db2.gz VGYDHNNQHPGTEO-INIZCTEOSA-N 1 1 269.429 3.250 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC001209676299 814111259 /nfs/dbraw/zinc/11/12/59/814111259.db2.gz XCFORICTXWQIEO-UHFFFAOYSA-N 1 1 299.418 3.048 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC001209676299 814111264 /nfs/dbraw/zinc/11/12/64/814111264.db2.gz XCFORICTXWQIEO-UHFFFAOYSA-N 1 1 299.418 3.048 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)CC(C)C)C1 ZINC001210112549 814295545 /nfs/dbraw/zinc/29/55/45/814295545.db2.gz XIWFAHXWOPAYLU-BZUAXINKSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCCCCCC[C@@H](C)OCC[NH+]1CCOCC1 ZINC001210225466 814353608 /nfs/dbraw/zinc/35/36/08/814353608.db2.gz SESVYVDRDFRJBB-MRXNPFEDSA-N 1 1 269.429 3.250 20 30 CGEDMO C[N@H+]1CC[C@@H](OCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC001210235515 814357664 /nfs/dbraw/zinc/35/76/64/814357664.db2.gz HBDJBWOCFOEFIL-GOSISDBHSA-N 1 1 292.382 3.446 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC2CCCCC2)C1 ZINC001210757735 814612556 /nfs/dbraw/zinc/61/25/56/814612556.db2.gz SGINGJVUUQCLOF-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO Cc1ccc([NH+]=C(NO)c2ccccc2N)c(OC(C)C)c1 ZINC001215879505 815621667 /nfs/dbraw/zinc/62/16/67/815621667.db2.gz XBKWYQYLZMIWKV-UHFFFAOYSA-N 1 1 299.374 3.422 20 30 CGEDMO C=C(C)C[C@H](Oc1ccc(C(=O)C[NH3+])cc1)C(=C)C ZINC001218435955 816212333 /nfs/dbraw/zinc/21/23/33/816212333.db2.gz GWEKJFVLQOEVDS-INIZCTEOSA-N 1 1 259.349 3.118 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCCC)[C@@H]2C1 ZINC001221282622 816309418 /nfs/dbraw/zinc/30/94/18/816309418.db2.gz AUCQYHAKPYIKMN-BZUAXINKSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)CC(C)C)[C@@H]2C1 ZINC001221899836 816334799 /nfs/dbraw/zinc/33/47/99/816334799.db2.gz YSYCOOLFIZZVDZ-GVDBMIGSSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)/C(C)=C\CC)C[C@@H]21 ZINC001222379407 816423655 /nfs/dbraw/zinc/42/36/55/816423655.db2.gz ZEIXPCDQZRRYEN-KOAFSLLYSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)/C(C)=C\CC)C[C@@H]21 ZINC001222379407 816423659 /nfs/dbraw/zinc/42/36/59/816423659.db2.gz ZEIXPCDQZRRYEN-KOAFSLLYSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H](C)C(C)C)C[C@@H]21 ZINC001222406835 816436112 /nfs/dbraw/zinc/43/61/12/816436112.db2.gz GZEVQUZDZXHVPI-BBWFWOEESA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)CCC)C[C@@H]21 ZINC001222484349 816454886 /nfs/dbraw/zinc/45/48/86/816454886.db2.gz OUWUDASPPBYEKE-ZACQAIPSSA-N 1 1 292.467 3.312 20 30 CGEDMO CC[N@H+]1CC[C@H](OCc2ccc(C(C)(C)C#N)cc2)C1 ZINC001223157059 816580330 /nfs/dbraw/zinc/58/03/30/816580330.db2.gz LEJNZUONQCAFBS-INIZCTEOSA-N 1 1 272.392 3.099 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)C2(C)CCCC2)CC1 ZINC001223965187 816710394 /nfs/dbraw/zinc/71/03/94/816710394.db2.gz GJISUSVCYGKEMX-UHFFFAOYSA-N 1 1 298.858 3.147 20 30 CGEDMO C=CCCOC[C@H]1C[N@H+](Cc2ccccc2)CC(C)(C)O1 ZINC001224339872 816781978 /nfs/dbraw/zinc/78/19/78/816781978.db2.gz XXPSKQOIBVAKEU-QGZVFWFLSA-N 1 1 289.419 3.259 20 30 CGEDMO C=C[C@H](CCCCCCC)OCC[NH+]1CCN(C)CC1 ZINC001224550354 816826647 /nfs/dbraw/zinc/82/66/47/816826647.db2.gz UPLRKOQNQKTGBO-QGZVFWFLSA-N 1 1 282.472 3.166 20 30 CGEDMO C[C@H](c1ccccn1)[N@H+]1CC[C@@H](OCCCCCC#N)C1 ZINC001224690153 816853765 /nfs/dbraw/zinc/85/37/65/816853765.db2.gz PHNRIDMZDASPCH-HZPDHXFCSA-N 1 1 287.407 3.317 20 30 CGEDMO C[C@@H](CS)OC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001224827535 816891032 /nfs/dbraw/zinc/89/10/32/816891032.db2.gz VZCJSBPNIAKBGC-GOEBONIOSA-N 1 1 279.449 3.234 20 30 CGEDMO Clc1ccccc1C[N@H+]1CC[C@H](OCC#CC2CC2)C1 ZINC001224850855 816895017 /nfs/dbraw/zinc/89/50/17/816895017.db2.gz SDUVGFDHLWWJLZ-INIZCTEOSA-N 1 1 289.806 3.344 20 30 CGEDMO C=CCCC[C@@H](C)NC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC001224913315 816909006 /nfs/dbraw/zinc/90/90/06/816909006.db2.gz BCZIVEUCKKECHB-HUUCEWRRSA-N 1 1 295.471 3.151 20 30 CGEDMO N#CC1(CO[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC001224949815 816915654 /nfs/dbraw/zinc/91/56/54/816915654.db2.gz IIUMGPNAGSFWDN-RCCFBDPRSA-N 1 1 296.414 3.217 20 30 CGEDMO Cc1c(C)c(O[C@@H]2CCC[N@H+](C)CC2)ccc1C#N ZINC001225512519 817080020 /nfs/dbraw/zinc/08/00/20/817080020.db2.gz ADSXTASZIPATGT-OAHLLOKOSA-N 1 1 258.365 3.038 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)C[C@@H](C)C(C)C)CC1 ZINC001226535254 817391515 /nfs/dbraw/zinc/39/15/15/817391515.db2.gz RTXVNVLWQCTNHZ-GFCCVEGCSA-N 1 1 286.847 3.002 20 30 CGEDMO C=CCC1(NC(=O)NC[C@@H]2CCCC[N@@H+]2CC)CCCC1 ZINC001227435423 817648117 /nfs/dbraw/zinc/64/81/17/817648117.db2.gz QXSVWQDZFOJEFK-HNNXBMFYSA-N 1 1 293.455 3.049 20 30 CGEDMO CC[N@H+]1CCC[C@H](Oc2ccc(/C=C/C(C)=O)cc2)C1 ZINC001228493962 817921131 /nfs/dbraw/zinc/92/11/31/817921131.db2.gz HGMVPYIZRKWYGM-LXXRFIIISA-N 1 1 273.376 3.152 20 30 CGEDMO CC(=O)/C=C\c1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001228496806 817922591 /nfs/dbraw/zinc/92/25/91/817922591.db2.gz PCWGXRHWIWBUIJ-UYWGVUBWSA-N 1 1 285.387 3.293 20 30 CGEDMO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1CCC1CCCC1 ZINC001231178253 818053497 /nfs/dbraw/zinc/05/34/97/818053497.db2.gz KNYMQHILOMGKEW-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@H+](Cc1cccc(C(=O)OC)n1)C1CCCCC1 ZINC001231427429 818098168 /nfs/dbraw/zinc/09/81/68/818098168.db2.gz HRMWPSIZVBDCPQ-UHFFFAOYSA-N 1 1 288.391 3.189 20 30 CGEDMO COc1cc(F)ccc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC001231602744 818136171 /nfs/dbraw/zinc/13/61/71/818136171.db2.gz SSEXWJGUOQXHEB-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO COc1cc(F)ccc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001231602744 818136173 /nfs/dbraw/zinc/13/61/73/818136173.db2.gz SSEXWJGUOQXHEB-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCCC(=O)[C@H](C)C2)c1 ZINC001231620807 818137932 /nfs/dbraw/zinc/13/79/32/818137932.db2.gz COQLAFKGJSXIBG-CQSZACIVSA-N 1 1 273.376 3.052 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCCC(=O)[C@H](C)C2)c1 ZINC001231620807 818137934 /nfs/dbraw/zinc/13/79/34/818137934.db2.gz COQLAFKGJSXIBG-CQSZACIVSA-N 1 1 273.376 3.052 20 30 CGEDMO C=CCOc1cccc(C[NH+]2CC3(C2)CC(F)(F)C3)c1 ZINC001231620952 818138900 /nfs/dbraw/zinc/13/89/00/818138900.db2.gz JNIUGRMEYNORLB-UHFFFAOYSA-N 1 1 279.330 3.483 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCC[C@@H](C#N)CC2)c1 ZINC001231625599 818140754 /nfs/dbraw/zinc/14/07/54/818140754.db2.gz WYYOBWOXODCQJQ-OAHLLOKOSA-N 1 1 270.376 3.377 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)c1 ZINC001231664539 818153589 /nfs/dbraw/zinc/15/35/89/818153589.db2.gz RPRCBIXWPFJJKA-IBGZPJMESA-N 1 1 295.357 3.460 20 30 CGEDMO C#Cc1cccc(C[N@@H+](C)CCC(=O)c2ccccc2)c1 ZINC001231663943 818153745 /nfs/dbraw/zinc/15/37/45/818153745.db2.gz UOGILZIUHUHDAM-UHFFFAOYSA-N 1 1 277.367 3.373 20 30 CGEDMO CCCCCCC[N@@H+](C)Cc1nc(C)ccc1O ZINC001231672433 818156962 /nfs/dbraw/zinc/15/69/62/818156962.db2.gz IYZHHAQCMQHIGD-UHFFFAOYSA-N 1 1 250.386 3.498 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2c[nH]c3cccc(OC)c23)C1 ZINC001232036576 818236776 /nfs/dbraw/zinc/23/67/76/818236776.db2.gz KRFQPDXROSWYST-ZDUSSCGKSA-N 1 1 268.360 3.022 20 30 CGEDMO N#CCC[N@H+](Cc1cc2ccncc2[nH]1)C1CCCC1 ZINC001232093305 818253348 /nfs/dbraw/zinc/25/33/48/818253348.db2.gz VEDVIARIWRXOEM-UHFFFAOYSA-N 1 1 268.364 3.221 20 30 CGEDMO N#CCC[N@@H+](Cc1cc2ccncc2[nH]1)C1CCCC1 ZINC001232093305 818253354 /nfs/dbraw/zinc/25/33/54/818253354.db2.gz VEDVIARIWRXOEM-UHFFFAOYSA-N 1 1 268.364 3.221 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)c(Cl)c1)C1CCN(C)CC1 ZINC001232120253 818259920 /nfs/dbraw/zinc/25/99/20/818259920.db2.gz PGBFMCYDUSMEJO-UHFFFAOYSA-N 1 1 291.826 3.128 20 30 CGEDMO CCN(Cc1ccc(C#N)c(Cl)c1)C1CC[NH+](C)CC1 ZINC001232120253 818259922 /nfs/dbraw/zinc/25/99/22/818259922.db2.gz PGBFMCYDUSMEJO-UHFFFAOYSA-N 1 1 291.826 3.128 20 30 CGEDMO N#Cc1ccc([O-])c(C[N@H+]2CCc3cc(Cl)ccc3C2)c1 ZINC001232678624 818416464 /nfs/dbraw/zinc/41/64/64/818416464.db2.gz KPJPKMNDARZTKL-UHFFFAOYSA-N 1 1 298.773 3.476 20 30 CGEDMO N#Cc1ccc([O-])c(CN2CCc3cc(Cl)ccc3C2)c1 ZINC001232678624 818416470 /nfs/dbraw/zinc/41/64/70/818416470.db2.gz KPJPKMNDARZTKL-UHFFFAOYSA-N 1 1 298.773 3.476 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(OC)c(C)cc1OC ZINC001232836537 818452380 /nfs/dbraw/zinc/45/23/80/818452380.db2.gz NRMLRALDPSDYQP-UHFFFAOYSA-N 1 1 263.381 3.410 20 30 CGEDMO CCC[N@@H+](C)Cc1ccc(Br)c(C#N)c1 ZINC001232892765 818467299 /nfs/dbraw/zinc/46/72/99/818467299.db2.gz WHLPXVSOGMIUPH-UHFFFAOYSA-N 1 1 267.170 3.163 20 30 CGEDMO C[N@@H+](CCc1cccc(Cl)c1)Cc1cccc(C#N)n1 ZINC001232924670 818473681 /nfs/dbraw/zinc/47/36/81/818473681.db2.gz SBPDXMSUAMCJDC-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1cc(O)c(O)c(O)c1 ZINC001233013713 818502757 /nfs/dbraw/zinc/50/27/57/818502757.db2.gz SHSLZRPSQGVXSK-UHFFFAOYSA-N 1 1 299.370 3.382 20 30 CGEDMO CC[N@@H+](Cc1[nH]ccc1C#N)[C@H](C)Cc1ccc(OC)cc1 ZINC001233046213 818507889 /nfs/dbraw/zinc/50/78/89/818507889.db2.gz QIIOIBOEJICNGQ-CQSZACIVSA-N 1 1 297.402 3.348 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001233080803 818518654 /nfs/dbraw/zinc/51/86/54/818518654.db2.gz XKFQIFVKRNBKTR-UHFFFAOYSA-N 1 1 287.366 3.297 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001233080052 818519244 /nfs/dbraw/zinc/51/92/44/818519244.db2.gz CBBKUWRAXSVSGF-CQSZACIVSA-N 1 1 282.309 3.436 20 30 CGEDMO CN(C)c1ccc(C[N@@H+](C)CC2CCCC2)c(F)c1C#N ZINC001233102044 818520605 /nfs/dbraw/zinc/52/06/05/818520605.db2.gz MLLOPENOEDMWOL-UHFFFAOYSA-N 1 1 289.398 3.385 20 30 CGEDMO C[N@@H+](Cc1[nH]nc2cc(F)ccc21)Cc1cccc(C#N)c1 ZINC001233128795 818528821 /nfs/dbraw/zinc/52/88/21/818528821.db2.gz QVIVMGCIELGYFF-UHFFFAOYSA-N 1 1 294.333 3.206 20 30 CGEDMO N#Cc1ccc(C[NH+]2CCC3(CC(F)(F)C3)CC2)c(O)c1 ZINC001233384370 818606242 /nfs/dbraw/zinc/60/62/42/818606242.db2.gz SSOKFUPDBSTNMP-UHFFFAOYSA-N 1 1 292.329 3.275 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccn(C(=O)OC(C)(C)C)c2)C1 ZINC001233432293 818616890 /nfs/dbraw/zinc/61/68/90/818616890.db2.gz FCTYNXLITWBLOE-CQSZACIVSA-N 1 1 288.391 3.117 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1cc(O)c(O)cc1O ZINC001233485459 818625555 /nfs/dbraw/zinc/62/55/55/818625555.db2.gz WPNFOIQPKRSRTN-UHFFFAOYSA-N 1 1 299.370 3.382 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](Oc2c(Cl)cccc2C#N)C1 ZINC001233547249 818637581 /nfs/dbraw/zinc/63/75/81/818637581.db2.gz HFIDANKNOFQXCB-GFCCVEGCSA-N 1 1 264.756 3.073 20 30 CGEDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1c(Cl)cccc1C#N ZINC001233550423 818638952 /nfs/dbraw/zinc/63/89/52/818638952.db2.gz JYHOKPDBNKUALD-NHAGDIPZSA-N 1 1 290.794 3.321 20 30 CGEDMO CC[N@H+]1CC[C@@H](Oc2cc(C#N)cc(C(F)(F)F)c2)C1 ZINC001233659833 818672532 /nfs/dbraw/zinc/67/25/32/818672532.db2.gz XOKMVAZTKIHANY-GFCCVEGCSA-N 1 1 284.281 3.050 20 30 CGEDMO C#CCCCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)CCC=C ZINC001233761404 818699001 /nfs/dbraw/zinc/69/90/01/818699001.db2.gz IVSCKOPLIQJAFP-DLBZAZTESA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@H+](C)CCCNC(=O)[C@H](CC)CCCC ZINC001234268559 818821407 /nfs/dbraw/zinc/82/14/07/818821407.db2.gz GQYFXAMSQJQYNF-OAHLLOKOSA-N 1 1 268.445 3.217 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)C1(C)CC1 ZINC001234464307 818861811 /nfs/dbraw/zinc/86/18/11/818861811.db2.gz AMWZOZGPXYLPTM-OAHLLOKOSA-N 1 1 280.456 3.290 20 30 CGEDMO C=CCC(CC=C)C(=O)N(C)C[C@H]1CC[N@@H+]1CCCC ZINC001234517775 818871372 /nfs/dbraw/zinc/87/13/72/818871372.db2.gz PNZVWLUTGHAOHU-MRXNPFEDSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)/C=C(/C)C1CC1 ZINC001234541292 818879677 /nfs/dbraw/zinc/87/96/77/818879677.db2.gz ZWQYWYMQLDTMDJ-PLFFATQSSA-N 1 1 278.440 3.136 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCC[C@@H](C)CC ZINC001234547846 818880445 /nfs/dbraw/zinc/88/04/45/818880445.db2.gz VJCQAYNVXSKXHZ-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CCC(=C)C ZINC001234604781 818889931 /nfs/dbraw/zinc/88/99/31/818889931.db2.gz WATDEPJHOFLYKX-JKSUJKDBSA-N 1 1 278.440 3.230 20 30 CGEDMO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@H+]1CC1CCCC1 ZINC001234614497 818891988 /nfs/dbraw/zinc/89/19/88/818891988.db2.gz SUNMNWXOMJFWKF-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1CCCC(C)C ZINC001234612854 818892716 /nfs/dbraw/zinc/89/27/16/818892716.db2.gz CAUGTQJDQDWEMJ-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(C(OCC)OCC)cc1 ZINC001234892562 818946073 /nfs/dbraw/zinc/94/60/73/818946073.db2.gz NUDXVOGZSVQIFP-UHFFFAOYSA-N 1 1 263.381 3.376 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)CCCNC(=O)/C(C)=C\CC ZINC001234946411 818960953 /nfs/dbraw/zinc/96/09/53/818960953.db2.gz XCWCAGQYAUIQMK-BAAYTWLHSA-N 1 1 266.429 3.136 20 30 CGEDMO CCCCCCCCCCN1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001234969640 818968390 /nfs/dbraw/zinc/96/83/90/818968390.db2.gz AKGBOTIHIAYBEW-IAGOWNOFSA-N 1 1 282.472 3.047 20 30 CGEDMO Cc1nnc(-c2ccc(C[N@H+]3CCC[C@@H](CC#N)C3)cc2)o1 ZINC001235052733 818991603 /nfs/dbraw/zinc/99/16/03/818991603.db2.gz UUGAXCFBXVTWLR-AWEZNQCLSA-N 1 1 296.374 3.171 20 30 CGEDMO C=CCCCCCCCN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001235256730 819054076 /nfs/dbraw/zinc/05/40/76/819054076.db2.gz SVBKXWDAVVONPB-HZPDHXFCSA-N 1 1 250.430 3.197 20 30 CGEDMO C=CCCCCCCCCC[N@@H+]1CCN[C@@H]2C[C@@H]21 ZINC001235282597 819060664 /nfs/dbraw/zinc/06/06/64/819060664.db2.gz BNNVYZYYKORAOH-CVEARBPZSA-N 1 1 250.430 3.339 20 30 CGEDMO C=CCCCCCCCCC[N@H+]1CCN[C@@H]2C[C@@H]21 ZINC001235282597 819060671 /nfs/dbraw/zinc/06/06/71/819060671.db2.gz BNNVYZYYKORAOH-CVEARBPZSA-N 1 1 250.430 3.339 20 30 CGEDMO C=CCCC(=O)NCCC[N@H+](C)C[C@@H](C)CC(C)C ZINC001235451284 819102896 /nfs/dbraw/zinc/10/28/96/819102896.db2.gz GADYQIVEQNHJMT-HNNXBMFYSA-N 1 1 268.445 3.073 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CCNC[C@H]1C(C)C ZINC001235453069 819103155 /nfs/dbraw/zinc/10/31/55/819103155.db2.gz QKZWYPBMNPNKIE-INIZCTEOSA-N 1 1 252.446 3.443 20 30 CGEDMO C=CCCCCCCCN1CC[NH2+]C[C@H]1C(C)C ZINC001235453069 819103159 /nfs/dbraw/zinc/10/31/59/819103159.db2.gz QKZWYPBMNPNKIE-INIZCTEOSA-N 1 1 252.446 3.443 20 30 CGEDMO C=CCCC(=O)NCCC[N@H+](C)Cc1cc(C)sc1C ZINC001235465118 819106389 /nfs/dbraw/zinc/10/63/89/819106389.db2.gz RBPXUYCMESJPEB-UHFFFAOYSA-N 1 1 294.464 3.269 20 30 CGEDMO C=CCCC[N@@H+](C)CCCNC(=O)C1CCCCCC1 ZINC001235479381 819108462 /nfs/dbraw/zinc/10/84/62/819108462.db2.gz BCHPUBPPRXMBQN-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO N#CCc1ccccc1C[N@H+]1CCC(=O)[C@H]2CCCC[C@@H]21 ZINC001235511400 819112111 /nfs/dbraw/zinc/11/21/11/819112111.db2.gz GWFCEDPKDAWQSM-IRXDYDNUSA-N 1 1 282.387 3.086 20 30 CGEDMO N#CCc1ccccc1C[N@@H+]1CCC(=O)[C@H]2CCCC[C@@H]21 ZINC001235511400 819112119 /nfs/dbraw/zinc/11/21/19/819112119.db2.gz GWFCEDPKDAWQSM-IRXDYDNUSA-N 1 1 282.387 3.086 20 30 CGEDMO C[C@@H]1CCC[N@H+](Cc2c(F)cc(C#N)cc2F)[C@@H]1C ZINC001235657547 819130239 /nfs/dbraw/zinc/13/02/39/819130239.db2.gz QUJSAXYCMZZDRS-GHMZBOCLSA-N 1 1 264.319 3.457 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2c(F)cc(C#N)cc2F)[C@@H]1C ZINC001235657547 819130242 /nfs/dbraw/zinc/13/02/42/819130242.db2.gz QUJSAXYCMZZDRS-GHMZBOCLSA-N 1 1 264.319 3.457 20 30 CGEDMO C#CC[N@H+](Cc1cccc(N)c1)[C@@H]1CCc2ccccc21 ZINC001235833143 819179608 /nfs/dbraw/zinc/17/96/08/819179608.db2.gz COTAVUJNZABGSR-LJQANCHMSA-N 1 1 276.383 3.392 20 30 CGEDMO C[N@@H+](Cc1ccc(-c2ccc(F)c(C#N)c2)nc1)C1CC1 ZINC001235891878 819199872 /nfs/dbraw/zinc/19/98/72/819199872.db2.gz VKJVGUWYXCVOEQ-UHFFFAOYSA-N 1 1 281.334 3.354 20 30 CGEDMO C=CCCCCCCCC[N@H+]1CC[C@@H](F)[C@H](N)C1 ZINC001235910865 819219154 /nfs/dbraw/zinc/21/91/54/819219154.db2.gz LFLRHGDLQOKALS-HUUCEWRRSA-N 1 1 256.409 3.274 20 30 CGEDMO C=CCCCCCCCCN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC001235910865 819219159 /nfs/dbraw/zinc/21/91/59/819219159.db2.gz LFLRHGDLQOKALS-HUUCEWRRSA-N 1 1 256.409 3.274 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2cc(F)cc3c2OCCC3)CC1 ZINC001236629712 819555692 /nfs/dbraw/zinc/55/56/92/819555692.db2.gz NFNGDXSNWUATTB-CYBMUJFWSA-N 1 1 288.366 3.276 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2cc(F)cc3c2OCCC3)CC1 ZINC001236629712 819555694 /nfs/dbraw/zinc/55/56/94/819555694.db2.gz NFNGDXSNWUATTB-CYBMUJFWSA-N 1 1 288.366 3.276 20 30 CGEDMO CCOc1ncc(C[N@H+](C)Cc2cccc(C#N)c2)cc1F ZINC001236696877 819575626 /nfs/dbraw/zinc/57/56/26/819575626.db2.gz MCGASZGXMMSKFS-UHFFFAOYSA-N 1 1 299.349 3.123 20 30 CGEDMO CCOc1ncc(C[N@@H+](C)Cc2cccc(C#N)c2)cc1F ZINC001236696877 819575630 /nfs/dbraw/zinc/57/56/30/819575630.db2.gz MCGASZGXMMSKFS-UHFFFAOYSA-N 1 1 299.349 3.123 20 30 CGEDMO C=CCOc1ccccc1CN(CCC)C[C@@H]1CC[NH2+]C1 ZINC001236834918 819615531 /nfs/dbraw/zinc/61/55/31/819615531.db2.gz KFFZYNDDZQGEQS-MRXNPFEDSA-N 1 1 288.435 3.073 20 30 CGEDMO C=CCCCCCCC[N@H+]1CCN[C@H](C(F)(F)F)C1 ZINC001236979305 819639069 /nfs/dbraw/zinc/63/90/69/819639069.db2.gz DCPXBTDMODUNRH-ZDUSSCGKSA-N 1 1 278.362 3.349 20 30 CGEDMO CCCCCCCC[N@H+]1CCN[C@@H](C(F)(F)F)C1 ZINC001236978822 819639403 /nfs/dbraw/zinc/63/94/03/819639403.db2.gz BCTJLPNJSWFFMA-GFCCVEGCSA-N 1 1 266.351 3.183 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1ccnc2c(OC)cccc12 ZINC001237118453 819671371 /nfs/dbraw/zinc/67/13/71/819671371.db2.gz XQDRSSIBEUTFBK-UHFFFAOYSA-N 1 1 283.375 3.369 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1ccnc2c(OC)cccc12 ZINC001237118453 819671373 /nfs/dbraw/zinc/67/13/73/819671373.db2.gz XQDRSSIBEUTFBK-UHFFFAOYSA-N 1 1 283.375 3.369 20 30 CGEDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccnc(C#N)c1 ZINC001237468069 819758738 /nfs/dbraw/zinc/75/87/38/819758738.db2.gz DFSRTASTQAWWBM-UHFFFAOYSA-N 1 1 294.402 3.041 20 30 CGEDMO N#Cc1ccc2nc(C[N@H+]3CCC34CCCCC4)cn2c1 ZINC001237609515 819785240 /nfs/dbraw/zinc/78/52/40/819785240.db2.gz SXZPJKKPZFNQOW-UHFFFAOYSA-N 1 1 280.375 3.115 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2cnc(C3CC3)s2)CC1 ZINC001237790852 819843148 /nfs/dbraw/zinc/84/31/48/819843148.db2.gz VUZJQKRIUVROCT-NSHDSACASA-N 1 1 261.394 3.146 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H](CF)C2)ccc1Cl ZINC001238194584 819953310 /nfs/dbraw/zinc/95/33/10/819953310.db2.gz QBLNEXVWMZEYCW-LBPRGKRZSA-N 1 1 266.747 3.393 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cccc(-c3cc[nH]n3)c2)C1 ZINC001238205413 819956531 /nfs/dbraw/zinc/95/65/31/819956531.db2.gz DICBMKKLBNBBIQ-AWEZNQCLSA-N 1 1 280.375 3.202 20 30 CGEDMO COc1cc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)ccc1C#N ZINC001238410410 819988113 /nfs/dbraw/zinc/98/81/13/819988113.db2.gz PRYGHHUVEFKTEC-ZBFHGGJFSA-N 1 1 270.376 3.189 20 30 CGEDMO CCc1cc(C[N@@H+]2CCC(=O)[C@H]3CCCC[C@H]32)ccc1C#N ZINC001238765647 820111824 /nfs/dbraw/zinc/11/18/24/820111824.db2.gz HANPSFLSSXLASJ-ZWKOTPCHSA-N 1 1 296.414 3.454 20 30 CGEDMO CCc1cc(C[N@H+]2CCC(=O)[C@H]3CCCC[C@H]32)ccc1C#N ZINC001238765647 820111827 /nfs/dbraw/zinc/11/18/27/820111827.db2.gz HANPSFLSSXLASJ-ZWKOTPCHSA-N 1 1 296.414 3.454 20 30 CGEDMO C[N@@H+](Cc1ccc(-c2ccc(OCC#N)cc2)nc1)C1CC1 ZINC001243589145 823458308 /nfs/dbraw/zinc/45/83/08/823458308.db2.gz QYKZCLDHEPMSIW-UHFFFAOYSA-N 1 1 293.370 3.245 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2cnc(OC)nc2)cc1 ZINC001239849696 820656235 /nfs/dbraw/zinc/65/62/35/820656235.db2.gz UPSJNJOAULOOQZ-KRWDZBQOSA-N 1 1 295.386 3.475 20 30 CGEDMO C[N@H+]1CCCC[C@@H]1c1ccc(-c2ccnc(C#N)c2)nc1 ZINC001241188642 821625773 /nfs/dbraw/zinc/62/57/73/821625773.db2.gz UCAYWGGBXZCRBJ-QGZVFWFLSA-N 1 1 278.359 3.172 20 30 CGEDMO N#Cc1ccnc(C2=CC[N@@H+](Cc3ccccc3)CC2)c1F ZINC001241501780 821904397 /nfs/dbraw/zinc/90/43/97/821904397.db2.gz CXCDWNJNMUWQKQ-UHFFFAOYSA-N 1 1 293.345 3.382 20 30 CGEDMO C[N@H+]1CCCC[C@H]1c1ccc(-c2cncc(C#N)c2)nc1 ZINC001242274347 822933702 /nfs/dbraw/zinc/93/37/02/822933702.db2.gz PKXMBVRFTOMQJH-KRWDZBQOSA-N 1 1 278.359 3.172 20 30 CGEDMO C=C(Br)C[N@H+]1CCCc2ccccc2CC1 ZINC001307772714 932997142 /nfs/dbraw/zinc/99/71/42/932997142.db2.gz GRFNWWHQWHQPAQ-UHFFFAOYSA-N 1 1 280.209 3.386 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@H](NC(=O)/C(C)=C\C)C(C)(C)C1 ZINC001330184637 935274922 /nfs/dbraw/zinc/27/49/22/935274922.db2.gz PFOVIVHDBYCHLE-WZDYWLCFSA-N 1 1 278.440 3.134 20 30 CGEDMO C=C[C@H](CC)CC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC001341044260 936425193 /nfs/dbraw/zinc/42/51/93/936425193.db2.gz KYMUYYITLDVSEG-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO Cc1nnc([C@H](C)[NH2+]Cc2c(C)cc(C#N)cc2C)s1 ZINC001341092937 936427327 /nfs/dbraw/zinc/42/73/27/936427327.db2.gz JBCPSXZFPWPQQM-NSHDSACASA-N 1 1 286.404 3.186 20 30 CGEDMO C=C(C)C[C@@H]([NH2+][C@H](C)CCCCC)C(=O)OCC ZINC001560987315 938287941 /nfs/dbraw/zinc/28/79/41/938287941.db2.gz VKAJXBNHCPSXBS-ZIAGYGMSSA-N 1 1 255.402 3.443 20 30 CGEDMO C=CCO[C@@H]1CCN(c2[nH+]ccc3ccc(C)cc32)C1 ZINC001345722050 936822837 /nfs/dbraw/zinc/82/28/37/936822837.db2.gz DNAQFSIYXYAMKT-OAHLLOKOSA-N 1 1 268.360 3.325 20 30 CGEDMO C#CCCCCC(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC001348313789 936917413 /nfs/dbraw/zinc/91/74/13/936917413.db2.gz ZRAFFKCFZGHPGZ-UHFFFAOYSA-N 1 1 295.386 3.433 20 30 CGEDMO C[C@@H](Nc1cccnc1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001354157508 937092213 /nfs/dbraw/zinc/09/22/13/937092213.db2.gz QZCLXBASXQRFKT-ZIAGYGMSSA-N 1 1 284.407 3.018 20 30 CGEDMO CCOC(=O)[C@H](CC)[N@@H+](CC1CCC(C#N)CC1)C1CC1 ZINC001354687791 937110090 /nfs/dbraw/zinc/11/00/90/937110090.db2.gz HVQCMVKBFMWJRD-XUJLQICISA-N 1 1 292.423 3.122 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)C(CC)CC)C1 ZINC001481099994 926885496 /nfs/dbraw/zinc/88/54/96/926885496.db2.gz WHKZKUXJZFFWRL-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)CC[N@@H+](CCC)CCNC(=O)[C@@H]1CC=CCC1 ZINC001481130407 926893750 /nfs/dbraw/zinc/89/37/50/926893750.db2.gz OTLGAKLNMZJIPN-MRXNPFEDSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cocc2C)C1 ZINC001481770345 926938093 /nfs/dbraw/zinc/93/80/93/926938093.db2.gz CRWOYGQMHVCNKF-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)[C@@H](C)c1ccsc1)C(C)C ZINC001481354541 926965896 /nfs/dbraw/zinc/96/58/96/926965896.db2.gz IQBLULSTBOEGJC-AWEZNQCLSA-N 1 1 294.464 3.254 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)CCC(C)C)C1 ZINC001481388035 926973809 /nfs/dbraw/zinc/97/38/09/926973809.db2.gz AGHAVRREZCWWEK-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC1(C(=O)NCC[C@@H]2CC[N@H+](CC(=C)C)C2)CCC1 ZINC001481446962 926988578 /nfs/dbraw/zinc/98/85/78/926988578.db2.gz MGMCUXULCXZTBO-MRXNPFEDSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001481488526 927002516 /nfs/dbraw/zinc/00/25/16/927002516.db2.gz UBSMQTHUXMXQGZ-KRWDZBQOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C=C)cc2)C1 ZINC001481499259 927003386 /nfs/dbraw/zinc/00/33/86/927003386.db2.gz UVVISPQAAQGBBP-KRWDZBQOSA-N 1 1 298.430 3.300 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@@H](C[N@H+](C)CCC(C)C)C1 ZINC001481493613 927003414 /nfs/dbraw/zinc/00/34/14/927003414.db2.gz CMQXGQIAVPTEIP-HNNXBMFYSA-N 1 1 280.456 3.025 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)CCC)C1 ZINC001481499055 927003493 /nfs/dbraw/zinc/00/34/93/927003493.db2.gz UXUHSBVLKVDJJF-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)C)C1 ZINC001481502795 927006969 /nfs/dbraw/zinc/00/69/69/927006969.db2.gz CYRCQQDNOFSGOG-GJZGRUSLSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](CCCC)C(C)C)C1 ZINC001481507607 927007517 /nfs/dbraw/zinc/00/75/17/927007517.db2.gz CIIQAQCJSVJXLL-IAGOWNOFSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C(C)C[N@@H+](C)CC1CCN(C(=O)C2(C)CCCC2)CC1 ZINC001481516815 927011609 /nfs/dbraw/zinc/01/16/09/927011609.db2.gz NEFZKWYDRCMJNV-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)/C=C(/C)CC)C1 ZINC001481557622 927024212 /nfs/dbraw/zinc/02/42/12/927024212.db2.gz WHRAFZLZRRGNMK-KAMYIIQDSA-N 1 1 266.429 3.114 20 30 CGEDMO C=CCCCCC[NH+]1CC(NC(=O)c2ccoc2CC)C1 ZINC001481554711 927024277 /nfs/dbraw/zinc/02/42/77/927024277.db2.gz CNHNLSFVXLKLAP-UHFFFAOYSA-N 1 1 290.407 3.002 20 30 CGEDMO C=CC(C)(C)C(=O)NC1C[NH+]([C@H](C)c2ccccc2C)C1 ZINC001481575852 927028480 /nfs/dbraw/zinc/02/84/80/927028480.db2.gz DDGBNLACLOXQIZ-CQSZACIVSA-N 1 1 286.419 3.069 20 30 CGEDMO C=CCCC[NH+]1CC(NC(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1 ZINC001481586764 927034549 /nfs/dbraw/zinc/03/45/49/927034549.db2.gz ILYBDRZOLLQZLZ-KSSFIOAISA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C(CC(C)C)CC(C)C)C1 ZINC001481696974 927058339 /nfs/dbraw/zinc/05/83/39/927058339.db2.gz OZCJPCAQYSHBAZ-KRWDZBQOSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001481705538 927066276 /nfs/dbraw/zinc/06/62/76/927066276.db2.gz PLTAQDBFVDFLDV-GOEBONIOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC1(C(=O)N(C)[C@@H]2CC[N@@H+](CCCF)C2)CCCC1 ZINC001481754931 927077064 /nfs/dbraw/zinc/07/70/64/927077064.db2.gz UVAOZZFNIHZKPU-OAHLLOKOSA-N 1 1 296.430 3.015 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001481747728 927077274 /nfs/dbraw/zinc/07/72/74/927077274.db2.gz RPKJPCWWWUUEKT-CVEARBPZSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C[C@H](CC)CC(=O)N(CC)[C@H]1CC[N@@H+](CC(=C)C)C1 ZINC001481772516 927086476 /nfs/dbraw/zinc/08/64/76/927086476.db2.gz HQYPRMAKAMCKNW-CVEARBPZSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)CC(C)=C(C)C)C1 ZINC001481773375 927089554 /nfs/dbraw/zinc/08/95/54/927089554.db2.gz UMUCUBUSNHSFRB-MRXNPFEDSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC2(C1)CCN(C(=O)C1CC1)CC2 ZINC001482067904 927140665 /nfs/dbraw/zinc/14/06/65/927140665.db2.gz UHIATRRUCWWKBS-HNNXBMFYSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001482616190 927325774 /nfs/dbraw/zinc/32/57/74/927325774.db2.gz YTXXJLGCRZJABH-BJWYYQGGSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+](C)CCN(C)C(=O)C[C@H](C)CC(C)(C)C ZINC001482630126 927333435 /nfs/dbraw/zinc/33/34/35/927333435.db2.gz DLIGMFSVWLKAIW-AWEZNQCLSA-N 1 1 268.445 3.025 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)CCC3(C)CC3)CC[C@H]21 ZINC001482667221 927345239 /nfs/dbraw/zinc/34/52/39/927345239.db2.gz RQRADFSCQMUYKF-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)C1[C@H]2CCCCCC[C@H]12 ZINC001483388538 927496453 /nfs/dbraw/zinc/49/64/53/927496453.db2.gz MRILRQWFVKCBIR-JYJNAYRXSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001483678914 927569454 /nfs/dbraw/zinc/56/94/54/927569454.db2.gz VCFZSCCCUURLAE-QAPCUYQASA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC(=O)N1CC[C@@]2(C1)CCC[N@H+](CC[C@@H](C)F)C2 ZINC001483831809 927630770 /nfs/dbraw/zinc/63/07/70/927630770.db2.gz VVFYUOOXYZFFPC-WBVHZDCISA-N 1 1 296.430 3.015 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](F)CC2CCCCC2)C1 ZINC001484068004 927670063 /nfs/dbraw/zinc/67/00/63/927670063.db2.gz OFALKTQNIFLEFB-DOTOQJQBSA-N 1 1 296.430 3.062 20 30 CGEDMO C#CCCCC(=O)NC[C@@]1(C)CCC[N@H+](C[C@H](C)CC)C1 ZINC001484156235 927681231 /nfs/dbraw/zinc/68/12/31/927681231.db2.gz KBILDCVTYONUBL-SJLPKXTDSA-N 1 1 292.467 3.054 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)CC(C)(C)C)CC1 ZINC001484707339 927740709 /nfs/dbraw/zinc/74/07/09/927740709.db2.gz XAMMTITVZMCMLA-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)CCCCC(C)C)CC1 ZINC001484725001 927742092 /nfs/dbraw/zinc/74/20/92/927742092.db2.gz AIKGABNTJSVNKG-MRXNPFEDSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)c1c(C)cccc1C ZINC001484757920 927755768 /nfs/dbraw/zinc/75/57/68/927755768.db2.gz ATSLUJZXWXHRRR-UHFFFAOYSA-N 1 1 288.435 3.273 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC(C)C)C2 ZINC001484824604 927760471 /nfs/dbraw/zinc/76/04/71/927760471.db2.gz JDDBRGRFCLDQLI-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2(CC)CCCC2)C(C)(C)C1 ZINC001484940473 927773477 /nfs/dbraw/zinc/77/34/77/927773477.db2.gz NNUOJYAYONOUQL-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[C@H]1C[N@H+](C)CC(=C)Cl ZINC001485067139 927799479 /nfs/dbraw/zinc/79/94/79/927799479.db2.gz IHSBOPMWVKYAKT-CABCVRRESA-N 1 1 298.858 3.264 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[C@H]1C[N@@H+](C)CC(=C)Cl ZINC001485067139 927799484 /nfs/dbraw/zinc/79/94/84/927799484.db2.gz IHSBOPMWVKYAKT-CABCVRRESA-N 1 1 298.858 3.264 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](CC)CCC ZINC001485073653 927806306 /nfs/dbraw/zinc/80/63/06/927806306.db2.gz UPBHHQCEPUMWLN-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)c1cc2cc(C)ccc2[nH]1 ZINC001485337576 927849132 /nfs/dbraw/zinc/84/91/32/927849132.db2.gz UVGSUVAUSQRQQE-AWEZNQCLSA-N 1 1 299.418 3.103 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)C[C@H](C)c1ccccc1 ZINC001485382138 927858610 /nfs/dbraw/zinc/85/86/10/927858610.db2.gz SKMFKOOHTVUZPO-JKSUJKDBSA-N 1 1 288.435 3.193 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)C1CCC(C2CC2)CC1 ZINC001485378997 927859645 /nfs/dbraw/zinc/85/96/45/927859645.db2.gz BXYDBOQTFSPTJM-ODIFPOPNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@]1(C)C=CCC1 ZINC001485479786 927879127 /nfs/dbraw/zinc/87/91/27/927879127.db2.gz HBFKAGQUUVTKSQ-FUHWJXTLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@H](NC(=O)C2(C)CCC2)C(C)(C)C1 ZINC001485574671 927892750 /nfs/dbraw/zinc/89/27/50/927892750.db2.gz WDURXQXEABPUHW-CABCVRRESA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC2(C1)CCC[N@H+](CC(C)C)C2 ZINC001485662931 927897830 /nfs/dbraw/zinc/89/78/30/927897830.db2.gz OIATVASLDSHQPH-UHFFFAOYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC2(C1)CCC[N@H+](CC(=C)C)C2 ZINC001485664648 927897883 /nfs/dbraw/zinc/89/78/83/927897883.db2.gz ZKBMTJXMOIICJU-UHFFFAOYSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC2(C1)CCC[N@@H+](CC(C)C)C2 ZINC001485664720 927898126 /nfs/dbraw/zinc/89/81/26/927898126.db2.gz LMFOHVSLKSCDGI-INIZCTEOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)CC(C)=C(C)C)CC1 ZINC001485762265 927916788 /nfs/dbraw/zinc/91/67/88/927916788.db2.gz RCGBNRYDPJZRGL-UHFFFAOYSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCCC(=O)N[C@]12CCC[C@@H]1[N@@H+](C[C@H](C)CC)CC2 ZINC001486138227 927987168 /nfs/dbraw/zinc/98/71/68/927987168.db2.gz IHQXZPYNRLPMCM-VYDXJSESSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCCC(=O)N(CC)[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001494911583 928275898 /nfs/dbraw/zinc/27/58/98/928275898.db2.gz WAAQQYSIJZOUHX-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC1(C(=O)N(C)C[C@H]2CC[N@@H+]2C(C)C)CCCCC1 ZINC001488690465 928291976 /nfs/dbraw/zinc/29/19/76/928291976.db2.gz DYTWTHYVPFZQMW-MRXNPFEDSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](CC)CCC ZINC001488677419 928293326 /nfs/dbraw/zinc/29/33/26/928293326.db2.gz QBOZBUWEBAIBHH-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CC)CCC ZINC001488677421 928293551 /nfs/dbraw/zinc/29/35/51/928293551.db2.gz QBOZBUWEBAIBHH-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)[C@@H]1C ZINC001489293574 928325570 /nfs/dbraw/zinc/32/55/70/928325570.db2.gz OFVHIPMUEWGXAP-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](C)C(C)C ZINC001489329358 928328393 /nfs/dbraw/zinc/32/83/93/928328393.db2.gz DHPSJPUGFLNBQD-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO CC#CC[N@@H+](CC)CCCNC(=O)[C@H](C)[C@@H](C)C(C)(C)C ZINC001490349201 928344868 /nfs/dbraw/zinc/34/48/68/928344868.db2.gz PTFYNCMWZZFWKH-HZPDHXFCSA-N 1 1 294.483 3.156 20 30 CGEDMO C=C(Cl)C[N@@H+](CCCNC(=O)[C@@H](C)C(C)C)C1CC1 ZINC001490387698 928351594 /nfs/dbraw/zinc/35/15/94/928351594.db2.gz OGQIEOUTZDBSET-ZDUSSCGKSA-N 1 1 286.847 3.002 20 30 CGEDMO C=C(Cl)C[N@H+](CCCNC(=O)[C@@H](C)C(C)C)C1CC1 ZINC001490387698 928351610 /nfs/dbraw/zinc/35/16/10/928351610.db2.gz OGQIEOUTZDBSET-ZDUSSCGKSA-N 1 1 286.847 3.002 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)C(C)=C1CCC1)C1CC1 ZINC001490371807 928351637 /nfs/dbraw/zinc/35/16/37/928351637.db2.gz AFLQWSOWXCLSPM-UHFFFAOYSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CCCNC(=O)C(C)(C)C)C1CC1 ZINC001490391702 928353278 /nfs/dbraw/zinc/35/32/78/928353278.db2.gz SIYDXEGOMRDVKO-AWEZNQCLSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1CCC[N@H+](C[C@@H](C)CC)C1 ZINC001490438365 928354765 /nfs/dbraw/zinc/35/47/65/928354765.db2.gz ISLXZSHTAHJCSF-DOTOQJQBSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2oc(C)cc2C)C1 ZINC001490434099 928363028 /nfs/dbraw/zinc/36/30/28/928363028.db2.gz KKJIGISPLGAOSO-HNNXBMFYSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCC[C@@H](C[N@H+](C)C(C)C)C1 ZINC001490760108 928385627 /nfs/dbraw/zinc/38/56/27/928385627.db2.gz XYAWWMWJKHDNML-INIZCTEOSA-N 1 1 292.467 3.334 20 30 CGEDMO CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001318442957 928437141 /nfs/dbraw/zinc/43/71/41/928437141.db2.gz OHKSKFDAQZGLAV-CVEARBPZSA-N 1 1 292.467 3.005 20 30 CGEDMO CC[C@H](C)[C@@H](C)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC001460184749 928740580 /nfs/dbraw/zinc/74/05/80/928740580.db2.gz LIHPYVKODRLMDF-LSDHHAIUSA-N 1 1 274.408 3.441 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001460602309 928746996 /nfs/dbraw/zinc/74/69/96/928746996.db2.gz CVCHJHRRDOTIOP-AWEZNQCLSA-N 1 1 282.428 3.332 20 30 CGEDMO N#C[C@@H]1CC[C@H]([NH2+]Cc2c(F)cc(Cl)cc2F)C1 ZINC001254643946 928779067 /nfs/dbraw/zinc/77/90/67/928779067.db2.gz SGWBQQZWGWOYQP-SCZZXKLOSA-N 1 1 270.710 3.400 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)/C=C/C(C)(C)C)C1 ZINC001490982933 928821571 /nfs/dbraw/zinc/82/15/71/928821571.db2.gz FMCXUXMHCMJCPQ-ZGWZEZEDSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](CCC(C)C)C1 ZINC001491118744 928832649 /nfs/dbraw/zinc/83/26/49/928832649.db2.gz VBXRFNKJXZZZSI-INIZCTEOSA-N 1 1 294.483 3.463 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CC(CC)CC)C1 ZINC001491294704 928853224 /nfs/dbraw/zinc/85/32/24/928853224.db2.gz GSQMIYSVWDBJNR-WBVHZDCISA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C/C=C(/C)C=C)C1 ZINC001491292868 928853883 /nfs/dbraw/zinc/85/38/83/928853883.db2.gz NSZNYKMODDTCAW-KNUIFBHBSA-N 1 1 290.451 3.302 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CC(C)(C)C=C)C1 ZINC001491286646 928854090 /nfs/dbraw/zinc/85/40/90/928854090.db2.gz KVBMWBICQKQAIQ-CVEARBPZSA-N 1 1 292.467 3.382 20 30 CGEDMO CCCCCCC[C@@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001441959115 937340275 /nfs/dbraw/zinc/34/02/75/937340275.db2.gz OPOOBTYKBXIZCQ-CVEARBPZSA-N 1 1 282.472 3.441 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)c1cc(C)c(F)c(C)c1 ZINC001448882769 937377269 /nfs/dbraw/zinc/37/72/69/937377269.db2.gz LGDAQQAUZYCVEH-UHFFFAOYSA-N 1 1 292.398 3.022 20 30 CGEDMO C[C@H](c1ccco1)[N@@H+](C[C@H](O)c1cccc(C#N)c1)C1CC1 ZINC001459722247 937497768 /nfs/dbraw/zinc/49/77/68/937497768.db2.gz YEIDZWRMXKKQGH-DYVFJYSZSA-N 1 1 296.370 3.410 20 30 CGEDMO CC[C@@]1(C)CCC[N@@H+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001459570899 937492309 /nfs/dbraw/zinc/49/23/09/937492309.db2.gz ZKOXJGXYXHREAW-SJORKVTESA-N 1 1 272.392 3.104 20 30 CGEDMO C#CC[N@@H+](CC#CC)CCn1ccc2cc(Cl)ccc21 ZINC001459587176 937492384 /nfs/dbraw/zinc/49/23/84/937492384.db2.gz YIEQPRKOURCRLX-UHFFFAOYSA-N 1 1 284.790 3.253 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](C)CCOC(C)(C)C ZINC001459770982 937499723 /nfs/dbraw/zinc/49/97/23/937499723.db2.gz YEWCZIYVANJADE-UHFFFAOYSA-N 1 1 274.408 3.422 20 30 CGEDMO C=CCCCC[NH2+][C@H](C(=O)OC(C)(C)C)C(C)C ZINC001459906557 937506031 /nfs/dbraw/zinc/50/60/31/937506031.db2.gz VUOVIFODOUDVEK-ZDUSSCGKSA-N 1 1 255.402 3.299 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)CCc1c(Cl)cccc1Cl ZINC001460026718 937511850 /nfs/dbraw/zinc/51/18/50/937511850.db2.gz BXBHLVPTUAGZQN-JTQLQIEISA-N 1 1 256.176 3.489 20 30 CGEDMO CCCCCCCCC[N@@H+](C)[C@H]1CCN2CCO[C@H]1C2 ZINC001460145646 937518387 /nfs/dbraw/zinc/51/83/87/937518387.db2.gz QKTSEVKBJRDMJQ-IRXDYDNUSA-N 1 1 282.472 3.142 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1Cc1cc(F)ccc1F ZINC001460303785 937525942 /nfs/dbraw/zinc/52/59/42/937525942.db2.gz QHEBPSOXJDTJGX-HZPDHXFCSA-N 1 1 295.373 3.299 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001460365645 937529452 /nfs/dbraw/zinc/52/94/52/937529452.db2.gz WKQLKNQSBQFIJU-ZDUSSCGKSA-N 1 1 260.337 3.383 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[Si](C)(C)c1ccccc1 ZINC001460486013 937533038 /nfs/dbraw/zinc/53/30/38/937533038.db2.gz DKHYSNSDCYXZQR-IYBDPMFKSA-N 1 1 271.480 3.324 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001460650541 937538555 /nfs/dbraw/zinc/53/85/55/937538555.db2.gz LHMIHCPCCOFIBH-QWHCGFSZSA-N 1 1 253.386 3.005 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCCC[C@H]1CC1(O)CCCCC1 ZINC001460765392 937544226 /nfs/dbraw/zinc/54/42/26/937544226.db2.gz XTTBYKZLVSWNGG-IRXDYDNUSA-N 1 1 295.467 3.253 20 30 CGEDMO C[N@@H+](CCOCC1CCCC1)CCc1cccc(C#N)c1 ZINC001460663374 937538911 /nfs/dbraw/zinc/53/89/11/937538911.db2.gz LWNQOEOLZPFACT-UHFFFAOYSA-N 1 1 286.419 3.239 20 30 CGEDMO C#CC[N@H+](CC1(C#N)CC1)[C@H]1CCCc2ccccc21 ZINC001460836566 937548408 /nfs/dbraw/zinc/54/84/08/937548408.db2.gz NTYNQSNDWOIYAN-KRWDZBQOSA-N 1 1 264.372 3.303 20 30 CGEDMO C#CC[N@@H+](CC1(C#N)CC1)[C@H]1CCCc2ccccc21 ZINC001460836566 937548411 /nfs/dbraw/zinc/54/84/11/937548411.db2.gz NTYNQSNDWOIYAN-KRWDZBQOSA-N 1 1 264.372 3.303 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1ccnc(N(C)C)c1 ZINC001460886816 937550604 /nfs/dbraw/zinc/55/06/04/937550604.db2.gz RBLQDEMFTNOBGU-HNNXBMFYSA-N 1 1 259.397 3.078 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2CCO ZINC001460913057 937552347 /nfs/dbraw/zinc/55/23/47/937552347.db2.gz RJEFOUKLXTWCOO-QZTJIDSGSA-N 1 1 296.499 3.268 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCO[C@H](c2ccc(OC)c(OC)c2)C1 ZINC001460956984 937556203 /nfs/dbraw/zinc/55/62/03/937556203.db2.gz CBOMCOFHIVNSKF-GUYCJALGSA-N 1 1 291.391 3.042 20 30 CGEDMO C=CC[C@H](C)[N@@H+]1CCO[C@H](c2ccc(OC)c(OC)c2)C1 ZINC001460956984 937556204 /nfs/dbraw/zinc/55/62/04/937556204.db2.gz CBOMCOFHIVNSKF-GUYCJALGSA-N 1 1 291.391 3.042 20 30 CGEDMO CSc1ccc(C[NH2+]Cc2cccc(C#N)c2)o1 ZINC001461030665 937560115 /nfs/dbraw/zinc/56/01/15/937560115.db2.gz PUZXIIQCGLDWED-UHFFFAOYSA-N 1 1 258.346 3.163 20 30 CGEDMO N#Cc1ccc2ccc(O[C@H]3CCc4[nH+]ccn4C3)cc2c1 ZINC001228968089 932060377 /nfs/dbraw/zinc/06/03/77/932060377.db2.gz HNSHAORXHXSOLW-KRWDZBQOSA-N 1 1 289.338 3.302 20 30 CGEDMO C=CCC[C@@H](CC)Oc1ccc(C(=[NH2+])NO)c(F)c1 ZINC001229080347 932088965 /nfs/dbraw/zinc/08/89/65/932088965.db2.gz FTLYPFCMAMEWJY-SNVBAGLBSA-N 1 1 266.316 3.253 20 30 CGEDMO C=C[C@H](C#CC(C)(C)C)Oc1ccc(C(=[NH2+])NO)c(F)c1 ZINC001229081891 932089687 /nfs/dbraw/zinc/08/96/87/932089687.db2.gz XIEXOXVTMBSPQT-LLVKDONJSA-N 1 1 290.338 3.113 20 30 CGEDMO C=CCOc1ccccc1O[C@H]1[C@@H]2CCC[C@H]1C[N@H+](C)C2 ZINC001229612269 932177579 /nfs/dbraw/zinc/17/75/79/932177579.db2.gz ZBRLSEOCPJTDRS-HWWDLCQESA-N 1 1 287.403 3.361 20 30 CGEDMO C=CCCCCCCC[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC001461552269 937585803 /nfs/dbraw/zinc/58/58/03/937585803.db2.gz KMLVKIATMWKOTF-UHFFFAOYSA-N 1 1 279.432 3.044 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H](Oc2cc(F)c(F)cc2C#N)C1 ZINC001229838617 932491822 /nfs/dbraw/zinc/49/18/22/932491822.db2.gz WEBHKEHLMCGTJB-GFCCVEGCSA-N 1 1 280.318 3.088 20 30 CGEDMO C#CC[N@H+](Cc1cnc(F)c(C)c1)C1CCCCC1 ZINC001461897552 937604601 /nfs/dbraw/zinc/60/46/01/937604601.db2.gz LQTMJRXGZCMLIQ-UHFFFAOYSA-N 1 1 260.356 3.297 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCC(C)C)CC1 ZINC001230513184 932581058 /nfs/dbraw/zinc/58/10/58/932581058.db2.gz LSRNCMGSMAGLFD-QGZVFWFLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)[C@H](C)C2CCC2)CC1 ZINC001331029510 932680759 /nfs/dbraw/zinc/68/07/59/932680759.db2.gz HRAZOTTTYDQJSC-OAHLLOKOSA-N 1 1 292.467 3.312 20 30 CGEDMO C[N@@H+]1CCN(Cc2ccc(C#N)s2)C[C@H]1c1ccccc1 ZINC001232843814 932683035 /nfs/dbraw/zinc/68/30/35/932683035.db2.gz CYARXNZAUIEEJQ-KRWDZBQOSA-N 1 1 297.427 3.108 20 30 CGEDMO C[N@H+]1CCN(Cc2ccc(C#N)s2)C[C@H]1c1ccccc1 ZINC001232843814 932683039 /nfs/dbraw/zinc/68/30/39/932683039.db2.gz CYARXNZAUIEEJQ-KRWDZBQOSA-N 1 1 297.427 3.108 20 30 CGEDMO CN1CC[N@H+](Cc2ccc(C#N)s2)C[C@H]1c1ccccc1 ZINC001232843814 932683046 /nfs/dbraw/zinc/68/30/46/932683046.db2.gz CYARXNZAUIEEJQ-KRWDZBQOSA-N 1 1 297.427 3.108 20 30 CGEDMO CN1CC[N@@H+](Cc2ccc(C#N)s2)C[C@H]1c1ccccc1 ZINC001232843814 932683047 /nfs/dbraw/zinc/68/30/47/932683047.db2.gz CYARXNZAUIEEJQ-KRWDZBQOSA-N 1 1 297.427 3.108 20 30 CGEDMO C[N@@H+](CCCC(=O)c1cccnc1)Cc1ccc(C#N)s1 ZINC001232843845 932683300 /nfs/dbraw/zinc/68/33/00/932683300.db2.gz FBZYADDJUFBRMH-UHFFFAOYSA-N 1 1 299.399 3.110 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)c(Cl)c1 ZINC001238088584 932694052 /nfs/dbraw/zinc/69/40/52/932694052.db2.gz INKFEMALNMZZLX-TZMCWYRMSA-N 1 1 288.778 3.013 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@]1(C)CC=C(C)CC1 ZINC001316608930 932748347 /nfs/dbraw/zinc/74/83/47/932748347.db2.gz IOSRARCGYHDLTG-AEFFLSMTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CCC)CC(C)C ZINC001316609539 932748549 /nfs/dbraw/zinc/74/85/49/932748549.db2.gz CNHAWQGBDRUWOG-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CCC)CC(C)C ZINC001316609539 932748557 /nfs/dbraw/zinc/74/85/57/932748557.db2.gz CNHAWQGBDRUWOG-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[C@H]([NH2+][C@H](CC)[C@H]1CC1(C)C)C(=O)OCC ZINC001462249219 937627460 /nfs/dbraw/zinc/62/74/60/937627460.db2.gz ODGJLKXNJIVMBP-MCIONIFRSA-N 1 1 267.413 3.299 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@]1(C)C=CCC1 ZINC001317174607 932783969 /nfs/dbraw/zinc/78/39/69/932783969.db2.gz USKTXVBROWZIBA-FUHWJXTLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C=C(CC)CC)C1 ZINC001491923963 932796735 /nfs/dbraw/zinc/79/67/35/932796735.db2.gz VDBNJYTVMCKWBJ-MRXNPFEDSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CCCNC(=O)C(C)(C)C=C ZINC001492164048 932806901 /nfs/dbraw/zinc/80/69/01/932806901.db2.gz OWCRPTXZTGBZSE-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)c1sccc1C ZINC001492187840 932811608 /nfs/dbraw/zinc/81/16/08/932811608.db2.gz STVWXYAOXHMFBA-ZDUSSCGKSA-N 1 1 280.437 3.073 20 30 CGEDMO C=CC[N@H+](C)CCNC(=O)[C@H](CC)C1CCC(C)CC1 ZINC001492272287 932813023 /nfs/dbraw/zinc/81/30/23/932813023.db2.gz MKYXGUZQBOAMGD-UYSNPLJNSA-N 1 1 280.456 3.073 20 30 CGEDMO CN(C)C[C@@H]([NH2+]CC#Cc1ccccc1)c1ccc(F)cc1 ZINC001462318258 937631787 /nfs/dbraw/zinc/63/17/87/937631787.db2.gz VVXLJSXEZQWZDX-LJQANCHMSA-N 1 1 296.389 3.070 20 30 CGEDMO C#CC[N@@H+](C[C@@H]1CC2(CCC2)CO1)C1CCCCC1 ZINC001307444505 932952436 /nfs/dbraw/zinc/95/24/36/932952436.db2.gz DIYCJCXVYIIHSZ-INIZCTEOSA-N 1 1 261.409 3.214 20 30 CGEDMO CC[N@H+](C[C@@H](C)C#N)C[C@@H]1CC2(CO1)CCCCC2 ZINC001307438498 932952781 /nfs/dbraw/zinc/95/27/81/932952781.db2.gz KQMFFGXRIJSVJX-GJZGRUSLSA-N 1 1 264.413 3.207 20 30 CGEDMO CC[N@@H+](C[C@@H](C)C#N)C[C@@H]1CC2(CO1)CCCCC2 ZINC001307438498 932952788 /nfs/dbraw/zinc/95/27/88/932952788.db2.gz KQMFFGXRIJSVJX-GJZGRUSLSA-N 1 1 264.413 3.207 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)CC[C@@H](O)C(C)C ZINC001307445331 932953371 /nfs/dbraw/zinc/95/33/71/932953371.db2.gz ZLMKZDGAMCZDAW-QGZVFWFLSA-N 1 1 261.409 3.124 20 30 CGEDMO C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cc1cc(C#N)ccn1 ZINC001307518263 932964947 /nfs/dbraw/zinc/96/49/47/932964947.db2.gz CAVQVLAHQVPEGT-YJBOKZPZSA-N 1 1 291.398 3.406 20 30 CGEDMO C=CCCCC[N@H+](C)[C@H]1CCN(c2ccccc2)C1=O ZINC001307552627 932968842 /nfs/dbraw/zinc/96/88/42/932968842.db2.gz AMOGCBCUPKFKHA-INIZCTEOSA-N 1 1 272.392 3.080 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC001307680275 932983067 /nfs/dbraw/zinc/98/30/67/932983067.db2.gz RLPHOCWYRJSWJI-UHFFFAOYSA-N 1 1 279.767 3.092 20 30 CGEDMO CCCCCCCCCC[N@H+]1CCN2CCOC[C@H]2C1 ZINC001307669583 932984106 /nfs/dbraw/zinc/98/41/06/932984106.db2.gz IEUPXOSPRJKCLY-QGZVFWFLSA-N 1 1 282.472 3.144 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@@H]1COC(=O)N(CC)CC ZINC001307745155 932995596 /nfs/dbraw/zinc/99/55/96/932995596.db2.gz BUKISZBENUTBRJ-OAHLLOKOSA-N 1 1 282.428 3.286 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1CC1CCCC1 ZINC001307888000 933015227 /nfs/dbraw/zinc/01/52/27/933015227.db2.gz XSKVGACQYAFBGE-HOTGVXAUSA-N 1 1 251.414 3.358 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](CCc2ccccc2Br)C1 ZINC001308066504 933042282 /nfs/dbraw/zinc/04/22/82/933042282.db2.gz BKBOKJQJISNQLN-CYBMUJFWSA-N 1 1 292.220 3.337 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC001308067755 933042723 /nfs/dbraw/zinc/04/27/23/933042723.db2.gz KFMKMBGDMNBLME-RDJZCZTQSA-N 1 1 253.389 3.452 20 30 CGEDMO C#CC[N@@H+](Cc1cc(=O)oc2cc3c(cc12)CCC3)C(C)C ZINC001308096957 933048285 /nfs/dbraw/zinc/04/82/85/933048285.db2.gz YVVKMTCCTVPNIB-UHFFFAOYSA-N 1 1 295.382 3.125 20 30 CGEDMO N#CC1(CCCC[N@H+]2CC[C@H](c3ncccn3)C2)CCC1 ZINC001308112921 933051835 /nfs/dbraw/zinc/05/18/35/933051835.db2.gz MHHDIIVCLATGHH-HNNXBMFYSA-N 1 1 284.407 3.130 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc(C)c1 ZINC001308135354 933054447 /nfs/dbraw/zinc/05/44/47/933054447.db2.gz GZKIWXXGDUULEB-IRXDYDNUSA-N 1 1 259.393 3.459 20 30 CGEDMO C=CCCC[N@H+](CC)CCC(=O)Nc1cccc(F)c1 ZINC001308134682 933054756 /nfs/dbraw/zinc/05/47/56/933054756.db2.gz QZVSVGAKAFJUNS-UHFFFAOYSA-N 1 1 278.371 3.442 20 30 CGEDMO C#C[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC001308142200 933056890 /nfs/dbraw/zinc/05/68/90/933056890.db2.gz PXJDMGGHRAOMQY-MRXNPFEDSA-N 1 1 256.393 3.049 20 30 CGEDMO C#C[C@@H]1CCCC[N@@H+]1C[C@@H](C)c1ccc(OC)cc1 ZINC001308142183 933057073 /nfs/dbraw/zinc/05/70/73/933057073.db2.gz PURRVMKBFVAUJJ-GDBMZVCRSA-N 1 1 257.377 3.286 20 30 CGEDMO CCc1ccc(NCc2cc(C#N)ccc2N(C)C)[nH+]c1 ZINC001308500766 933121057 /nfs/dbraw/zinc/12/10/57/933121057.db2.gz QBWGFMBOQGJUNN-UHFFFAOYSA-N 1 1 280.375 3.194 20 30 CGEDMO CCc1oc2ccccc2c1C[NH2+]CC1(C#N)CCOCC1 ZINC001308548528 933129332 /nfs/dbraw/zinc/12/93/32/933129332.db2.gz BBAMCRUYRQKETI-UHFFFAOYSA-N 1 1 298.386 3.405 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@](C)(CC)OC ZINC001308579168 933135884 /nfs/dbraw/zinc/13/58/84/933135884.db2.gz YEPVHKMPLSVAQY-KRWDZBQOSA-N 1 1 277.408 3.498 20 30 CGEDMO C#C[C@H]([NH2+]Cc1c(Cl)ccnc1Cl)C(C)C ZINC001308750957 933170275 /nfs/dbraw/zinc/17/02/75/933170275.db2.gz PSFPJXAHHGJYEX-NSHDSACASA-N 1 1 257.164 3.136 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2cnn(CC3CCC3)c2)C1 ZINC001308856210 933190881 /nfs/dbraw/zinc/19/08/81/933190881.db2.gz VPPIPGZDSJIXIB-HNNXBMFYSA-N 1 1 273.424 3.471 20 30 CGEDMO C=C(C)C[C@H]([NH2+]C[C@@H]1C(C)=CCC[C@H]1C)C(=O)OC ZINC001308903414 933201159 /nfs/dbraw/zinc/20/11/59/933201159.db2.gz XJVALGHSFOUITQ-KFWWJZLASA-N 1 1 265.397 3.076 20 30 CGEDMO C=CCCCC[C@H](C)[NH2+]C[C@H]1CN2CCC1CC2 ZINC001308965972 933214120 /nfs/dbraw/zinc/21/41/20/933214120.db2.gz KDUQQLPLVPWWJK-HOCLYGCPSA-N 1 1 250.430 3.053 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)[C@H]1CCCC[C@H]1C1CC1 ZINC001317481260 933250876 /nfs/dbraw/zinc/25/08/76/933250876.db2.gz FDXPYQOEIFLGOF-IRXDYDNUSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)C2CCCCC2)C1 ZINC001317532698 933362724 /nfs/dbraw/zinc/36/27/24/933362724.db2.gz JOCWQTHOBCUTCY-HNNXBMFYSA-N 1 1 292.467 3.217 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](CCCC)C(C)C)[C@H]1C ZINC001316799570 933482692 /nfs/dbraw/zinc/48/26/92/933482692.db2.gz FUYCMFDCUFVHJQ-ZACQAIPSSA-N 1 1 292.467 3.051 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](CCCC)C(C)C)[C@H]1C ZINC001316799568 933482836 /nfs/dbraw/zinc/48/28/36/933482836.db2.gz FUYCMFDCUFVHJQ-IKGGRYGDSA-N 1 1 292.467 3.051 20 30 CGEDMO C=C(C)C[N@@H+](C)CCCNC(=O)c1c(C)cc(C)cc1C ZINC001316864615 933487066 /nfs/dbraw/zinc/48/70/66/933487066.db2.gz MKLXHPASJJBFDY-UHFFFAOYSA-N 1 1 288.435 3.240 20 30 CGEDMO C=CC[N@@H+](CC)CCCNC(=O)C[C@H]1CCCC[C@@H]1C ZINC001316910595 933495210 /nfs/dbraw/zinc/49/52/10/933495210.db2.gz CJHLWQRMSIGRJL-JKSUJKDBSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)c2cocc2C)C1 ZINC001316948331 933500014 /nfs/dbraw/zinc/50/00/14/933500014.db2.gz UKSHGSKPGZPCPK-CABCVRRESA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)C2(F)CCCCC2)C1 ZINC001316992922 933507954 /nfs/dbraw/zinc/50/79/54/933507954.db2.gz WDDMJACCVBJPHX-GJZGRUSLSA-N 1 1 296.430 3.204 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCCC)C1 ZINC001317101979 933531604 /nfs/dbraw/zinc/53/16/04/933531604.db2.gz ZTEQYDNBFSSYGX-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC001317165614 933545838 /nfs/dbraw/zinc/54/58/38/933545838.db2.gz JHVLZAPPUNVMCQ-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CCCF)C1 ZINC001317208490 933555040 /nfs/dbraw/zinc/55/50/40/933555040.db2.gz JYALOEIBTSJVJD-GJZGRUSLSA-N 1 1 298.446 3.165 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)C=C(C)C)C1 ZINC001317376027 933579487 /nfs/dbraw/zinc/57/94/87/933579487.db2.gz PUJIKDKSLIIBTR-HOTGVXAUSA-N 1 1 278.440 3.230 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]([N@H+](C)CCCCCC)C1 ZINC001317371709 933580067 /nfs/dbraw/zinc/58/00/67/933580067.db2.gz UXPLKVCAUZDQKN-MRXNPFEDSA-N 1 1 280.456 3.456 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[C@H]([N@H+](C)CCCC)C1 ZINC001317380163 933580868 /nfs/dbraw/zinc/58/08/68/933580868.db2.gz ZPSGQSWBHWQKEK-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CCC(=O)NCC[N@H+](C)CC1CCCCCC1 ZINC001317446503 933594918 /nfs/dbraw/zinc/59/49/18/933594918.db2.gz HHOGOGAPVGMDTK-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C=C(C)C[N@H+](C)CCNC(=O)C[C@H](CC)c1ccccc1 ZINC001317467439 933599022 /nfs/dbraw/zinc/59/90/22/933599022.db2.gz SFKRUTLGIADUMQ-INIZCTEOSA-N 1 1 288.435 3.194 20 30 CGEDMO CC#CC[N@@H+](CC)CCNC(=O)C[C@H]1CCCCC1(C)C ZINC001317491375 933603153 /nfs/dbraw/zinc/60/31/53/933603153.db2.gz IIHOOBIWBUZNAN-MRXNPFEDSA-N 1 1 292.467 3.054 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@](C)(F)CCCC ZINC001317502888 933604338 /nfs/dbraw/zinc/60/43/38/933604338.db2.gz LFXGQNLPFJIMKF-GDBMZVCRSA-N 1 1 284.419 3.062 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)c1cccc(C2CC2)c1 ZINC001317545059 933615109 /nfs/dbraw/zinc/61/51/09/933615109.db2.gz BYVARSRJRHJSMF-UHFFFAOYSA-N 1 1 286.419 3.192 20 30 CGEDMO C=CCC[N@@H+](CCC)CCNC(=O)C1CCC=CCC1 ZINC001317545008 933615364 /nfs/dbraw/zinc/61/53/64/933615364.db2.gz BOZJUPXKGSGCBW-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCCC[N@H+](CCNC(=O)[C@H]1CCC[C@H](F)C1)C1CC1 ZINC001317553128 933617551 /nfs/dbraw/zinc/61/75/51/933617551.db2.gz QEBFUICTFUTZNH-GJZGRUSLSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)[C@@H]1CC[C@H](C)C1)C(C)C ZINC001317706014 933636071 /nfs/dbraw/zinc/63/60/71/933636071.db2.gz ZLOLJSZHABLWKT-JKSUJKDBSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)/C=C\C(C)(C)C)C1 ZINC001317778097 933649856 /nfs/dbraw/zinc/64/98/56/933649856.db2.gz FXXSEPNGLDYJMY-JXMNSVBMSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](CCNC(=O)[C@@](C)(CC)CCC)C1 ZINC001317804941 933652404 /nfs/dbraw/zinc/65/24/04/933652404.db2.gz GONGXKWUFQSDRR-RDJZCZTQSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC001317826289 933655272 /nfs/dbraw/zinc/65/52/72/933655272.db2.gz JPLPZTUCHHLDMN-MRXNPFEDSA-N 1 1 286.419 3.047 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@@H](C[N@@H+](C)CCC(C)(C)C)C1 ZINC001317849765 933659344 /nfs/dbraw/zinc/65/93/44/933659344.db2.gz ZGPIBNVIOHYRTM-HNNXBMFYSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C(C)C[N@@H+](C)CC1CCN(C(=O)CCC2CCC2)CC1 ZINC001317868799 933662142 /nfs/dbraw/zinc/66/21/42/933662142.db2.gz LTROIJCIWMZQMJ-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)CC(C)=C(C)C)C1 ZINC001317940525 933667027 /nfs/dbraw/zinc/66/70/27/933667027.db2.gz GKZILTBRGNDKJZ-MRXNPFEDSA-N 1 1 278.440 3.280 20 30 CGEDMO C=C(C)CCC(=O)NC1C[NH+]([C@H]2CCCc3ccccc32)C1 ZINC001318029213 933676734 /nfs/dbraw/zinc/67/67/34/933676734.db2.gz ORFDCFBIRFLMRL-SFHVURJKSA-N 1 1 298.430 3.221 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@H+](CCCCCC)C1 ZINC001318347361 933711418 /nfs/dbraw/zinc/71/14/18/933711418.db2.gz XARMVQDVGNUGGL-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO CC#CCCCC(=O)N[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001318349505 933711747 /nfs/dbraw/zinc/71/17/47/933711747.db2.gz NFNQOTMSRWDFCC-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2C=CCCC2)C1 ZINC001318411303 933721929 /nfs/dbraw/zinc/72/19/29/933721929.db2.gz CDRJHTHUXWHXMA-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N(C)[C@@H]1CC[N@H+](CC2CC(C)C2)C1 ZINC001318425367 933724107 /nfs/dbraw/zinc/72/41/07/933724107.db2.gz TZLMEACTLLFPIS-UYSNPLJNSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@](C)(C=C)CC)C1 ZINC001318426011 933725030 /nfs/dbraw/zinc/72/50/30/933725030.db2.gz RPXWRFJBYCRHNP-DOTOQJQBSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCC(=O)N(C)CC[N@H+](C)[C@@H](C)c1cccc(C)c1 ZINC001319982010 933970726 /nfs/dbraw/zinc/97/07/26/933970726.db2.gz XNHUNGTYHVPYLH-INIZCTEOSA-N 1 1 288.435 3.412 20 30 CGEDMO C#CC[N@@H+](Cc1ncc(-c2ccccc2F)o1)CC1CC1 ZINC001320135830 934007979 /nfs/dbraw/zinc/00/79/79/934007979.db2.gz SMYALEKDXIJWNP-UHFFFAOYSA-N 1 1 284.334 3.326 20 30 CGEDMO C#CC[N@H+](Cc1ncc(-c2ccccc2F)o1)CC1CC1 ZINC001320135830 934007984 /nfs/dbraw/zinc/00/79/84/934007984.db2.gz SMYALEKDXIJWNP-UHFFFAOYSA-N 1 1 284.334 3.326 20 30 CGEDMO C[C@H](C#N)C[N@H+](Cc1ccc(-c2cnn(C)c2)cc1)C1CC1 ZINC001321032757 934139298 /nfs/dbraw/zinc/13/92/98/934139298.db2.gz JQBXATDAERSIFU-CQSZACIVSA-N 1 1 294.402 3.211 20 30 CGEDMO C[C@H](C#N)C[N@@H+](Cc1ccc(-c2cnn(C)c2)cc1)C1CC1 ZINC001321032757 934139300 /nfs/dbraw/zinc/13/93/00/934139300.db2.gz JQBXATDAERSIFU-CQSZACIVSA-N 1 1 294.402 3.211 20 30 CGEDMO C=CCC(C)(C)CNC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001470071632 937747726 /nfs/dbraw/zinc/74/77/26/937747726.db2.gz RYNQESCTJKASOI-AWEZNQCLSA-N 1 1 295.471 3.008 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H](C)C[N@@H+](C)CC1CC(C)(C)C1 ZINC001322235733 934263641 /nfs/dbraw/zinc/26/36/41/934263641.db2.gz HYXKYUPAFUBFSV-KBXCAEBGSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)c1cc(C)c(CC)s1 ZINC001322294020 934272695 /nfs/dbraw/zinc/27/26/95/934272695.db2.gz RJASUTWQEWRDJV-ZDUSSCGKSA-N 1 1 294.464 3.245 20 30 CGEDMO C#CCOCC[N@H+](C)[C@H](C)c1cccc(Br)c1 ZINC001323094338 934363399 /nfs/dbraw/zinc/36/33/99/934363399.db2.gz VXOZBFCRFLPLIU-GFCCVEGCSA-N 1 1 296.208 3.092 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)c1sccc1F ZINC001323232880 934375373 /nfs/dbraw/zinc/37/53/73/934375373.db2.gz SGKULSLBEXWTSY-NWDGAFQWSA-N 1 1 296.411 3.046 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)C(C)C ZINC001323243873 934375795 /nfs/dbraw/zinc/37/57/95/934375795.db2.gz UIQFQEQSDMNPRT-GJZGRUSLSA-N 1 1 280.456 3.214 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCCF)C1 ZINC001323641976 934413459 /nfs/dbraw/zinc/41/34/59/934413459.db2.gz MDXQQLUZGQDXAQ-HOTGVXAUSA-N 1 1 296.430 3.015 20 30 CGEDMO C[C@]1(C#N)CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001323784369 934425603 /nfs/dbraw/zinc/42/56/03/934425603.db2.gz DNZBJBVGBLWOIG-GOSISDBHSA-N 1 1 283.419 3.412 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001323784369 934425608 /nfs/dbraw/zinc/42/56/08/934425608.db2.gz DNZBJBVGBLWOIG-GOSISDBHSA-N 1 1 283.419 3.412 20 30 CGEDMO C=CCCC(=O)N1CC[C@]2(C1)CCC[N@@H+](CCC1CC1)C2 ZINC001323800404 934428152 /nfs/dbraw/zinc/42/81/52/934428152.db2.gz MCCHESGAUHYXEM-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO CCCCCCC[NH+]1CC(N(C)C(=O)[C@]2(C)C=CCC2)C1 ZINC001323964099 934442857 /nfs/dbraw/zinc/44/28/57/934442857.db2.gz PAJZVTDSMBNXID-GOSISDBHSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@](C)(NC(=O)C2CC(C)C2)C1 ZINC001324601219 934530217 /nfs/dbraw/zinc/53/02/17/934530217.db2.gz JWLDCBCZALLAFJ-HTWSVDAQSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](C)CCCCCC)C1 ZINC001324657920 934542817 /nfs/dbraw/zinc/54/28/17/934542817.db2.gz UPOCDCCTZFCPMK-SJLPKXTDSA-N 1 1 292.467 3.197 20 30 CGEDMO CC(C)C[N@@H+](Cc1cc(C#N)ccn1)C1CCCC1 ZINC001473125875 937793489 /nfs/dbraw/zinc/79/34/89/937793489.db2.gz XYFIYXVZPMWVMY-UHFFFAOYSA-N 1 1 257.381 3.354 20 30 CGEDMO CCCC[N@@H+](CCOC)Cc1cc(Cl)cc(C#N)c1 ZINC001473148983 937794433 /nfs/dbraw/zinc/79/44/33/937794433.db2.gz KUMGZNIFFHTGBZ-UHFFFAOYSA-N 1 1 280.799 3.460 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](C)C[C@H]1C(=O)OC ZINC001473409874 937805866 /nfs/dbraw/zinc/80/58/66/937805866.db2.gz IFADQXMROXPPQZ-KGLIPLIRSA-N 1 1 253.386 3.006 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1C)[C@H](C)C(=O)OCC ZINC001473441266 937807137 /nfs/dbraw/zinc/80/71/37/937807137.db2.gz PYAQABRIIDINQX-CQSZACIVSA-N 1 1 288.391 3.030 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1C)[C@H](C)C(=O)OCC ZINC001473441266 937807138 /nfs/dbraw/zinc/80/71/38/937807138.db2.gz PYAQABRIIDINQX-CQSZACIVSA-N 1 1 288.391 3.030 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC001473454748 937807581 /nfs/dbraw/zinc/80/75/81/937807581.db2.gz UMZPQNJFFUSOCR-FGTMMUONSA-N 1 1 269.388 3.079 20 30 CGEDMO CCOc1ccc2c(c1)C[N@@H+]([C@@H]1CC[C@H](C#N)C1)CC2 ZINC001324926835 934872532 /nfs/dbraw/zinc/87/25/32/934872532.db2.gz BCUAMTGSJQFUTD-XJKSGUPXSA-N 1 1 270.376 3.136 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](CCCc2cccc(F)c2)C1 ZINC001325227544 934897265 /nfs/dbraw/zinc/89/72/65/934897265.db2.gz GBYBJYLWUHLTDW-MRXNPFEDSA-N 1 1 263.356 3.035 20 30 CGEDMO C#CC[N@H+](CC1CC1)[C@@H](C)C(=O)Nc1ccccc1Cl ZINC001325513526 934917101 /nfs/dbraw/zinc/91/71/01/934917101.db2.gz UNTKEWAFMVARRB-LBPRGKRZSA-N 1 1 290.794 3.012 20 30 CGEDMO C#CC[N@@H+](CC1CC1)[C@@H](C)C(=O)Nc1ccccc1Cl ZINC001325513526 934917103 /nfs/dbraw/zinc/91/71/03/934917103.db2.gz UNTKEWAFMVARRB-LBPRGKRZSA-N 1 1 290.794 3.012 20 30 CGEDMO C=CCC[N@H+]1[C@H](C)CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C ZINC001473578965 937812015 /nfs/dbraw/zinc/81/20/15/937812015.db2.gz VQWIPFMYVXLXKL-HZSPNIEDSA-N 1 1 282.428 3.281 20 30 CGEDMO CCCCCCC[N@H+]1Cc2ccccc2C[C@H]1C(=O)NC ZINC001473577056 937812214 /nfs/dbraw/zinc/81/22/14/937812214.db2.gz PIMJQRXWBNYSOA-KRWDZBQOSA-N 1 1 288.435 3.130 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)/C=C(\C)C2CC2)CC1 ZINC001327100026 935029714 /nfs/dbraw/zinc/02/97/14/935029714.db2.gz QRVYTMNLZYPSMT-IAOULYHDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H](CC)SC)CC1 ZINC001327115385 935030246 /nfs/dbraw/zinc/03/02/46/935030246.db2.gz QRNWJQNXROWQSM-GJZGRUSLSA-N 1 1 298.496 3.065 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](CC)C(C)C)CC1 ZINC001327162382 935038944 /nfs/dbraw/zinc/03/89/44/935038944.db2.gz IWNFTDBKEFLVMR-SJORKVTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@H+](C)CCCN(C)C(=O)c1c(C)cc(F)cc1C ZINC001327245507 935046403 /nfs/dbraw/zinc/04/64/03/935046403.db2.gz KXISUHBXGWKKDY-UHFFFAOYSA-N 1 1 292.398 3.022 20 30 CGEDMO CC[N@H+]1CCC[C@H](CNc2ccc(Cl)cc2C#N)C1 ZINC001327642938 935075062 /nfs/dbraw/zinc/07/50/62/935075062.db2.gz MCQYMGZCVRKTFY-GFCCVEGCSA-N 1 1 277.799 3.355 20 30 CGEDMO C#CCCCC(=O)NCc1ccc2c(c1)C[N@@H+](CC(C)C)C2 ZINC001327685843 935077219 /nfs/dbraw/zinc/07/72/19/935077219.db2.gz SFRNBBLBYAMRKI-UHFFFAOYSA-N 1 1 298.430 3.078 20 30 CGEDMO C=CC(C)(C)C(=O)NCc1ccc2c(c1)C[N@@H+](CC(=C)C)C2 ZINC001327695938 935078229 /nfs/dbraw/zinc/07/82/29/935078229.db2.gz LWLGNARLSSXHOG-UHFFFAOYSA-N 1 1 298.430 3.407 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)C(C)(C)F)C(C)(C)C1 ZINC001328061527 935113520 /nfs/dbraw/zinc/11/35/20/935113520.db2.gz ORSWSXQOOZQSDO-KBPBESRZSA-N 1 1 298.446 3.306 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@H+](CCC(C)C)[C@H](C)C1 ZINC001328278905 935128095 /nfs/dbraw/zinc/12/80/95/935128095.db2.gz KVMCXJWIHWBCRO-CVEARBPZSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@H]1C[N@@H+](C)CC=C(C)C ZINC001328752864 935166654 /nfs/dbraw/zinc/16/66/54/935166654.db2.gz NBTLGEMVHGAQNF-INIZCTEOSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]([C@H]2CC[N@@H+](CC=C)C2)C1 ZINC001328810242 935170755 /nfs/dbraw/zinc/17/07/55/935170755.db2.gz WYMKVUQLIPOCBE-IRXDYDNUSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)c1cccc(C)c1F ZINC001329442872 935216987 /nfs/dbraw/zinc/21/69/87/935216987.db2.gz UVKNBIHIBYBFHI-AWEZNQCLSA-N 1 1 292.398 3.150 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)CCC(C)(C)C ZINC001329593242 935230952 /nfs/dbraw/zinc/23/09/52/935230952.db2.gz YWWCBLSMQIVOBH-GJZGRUSLSA-N 1 1 282.472 3.461 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](CCC(C)C)CC1(C)C ZINC001330229474 935279033 /nfs/dbraw/zinc/27/90/33/935279033.db2.gz GBMHJJNPFBVKEJ-HZPDHXFCSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2C[N@H+](CCC)CC2(C)C)CCCC1 ZINC001330261403 935281261 /nfs/dbraw/zinc/28/12/61/935281261.db2.gz GKJCTCKHXQNYOH-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCC[N@H+](C)CCN(C(=O)[C@H]1CCCC[C@H]1C)C(C)C ZINC001332724667 935485405 /nfs/dbraw/zinc/48/54/05/935485405.db2.gz UMRVOFRDVUISPM-SJORKVTESA-N 1 1 292.467 3.005 20 30 CGEDMO Cc1cc(C)c2c(c1)C[N@@H+](Cc1cncc(C#N)c1)CC2 ZINC001332936780 935499212 /nfs/dbraw/zinc/49/92/12/935499212.db2.gz DNMCQASCLKFILA-UHFFFAOYSA-N 1 1 277.371 3.128 20 30 CGEDMO Cc1cc(C)c2c(c1)C[N@H+](Cc1cncc(C#N)c1)CC2 ZINC001332936780 935499214 /nfs/dbraw/zinc/49/92/14/935499214.db2.gz DNMCQASCLKFILA-UHFFFAOYSA-N 1 1 277.371 3.128 20 30 CGEDMO COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)nc1 ZINC001333436401 935535815 /nfs/dbraw/zinc/53/58/15/935535815.db2.gz DHAOBXHVHVRVCV-INIZCTEOSA-N 1 1 299.399 3.360 20 30 CGEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)s2)nc1 ZINC001333436401 935535818 /nfs/dbraw/zinc/53/58/18/935535818.db2.gz DHAOBXHVHVRVCV-INIZCTEOSA-N 1 1 299.399 3.360 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)[C@@]2(C)CC=C(C)CC2)CC1 ZINC001333457162 935536711 /nfs/dbraw/zinc/53/67/11/935536711.db2.gz HCANICKTSUHVQR-SFHVURJKSA-N 1 1 288.435 3.057 20 30 CGEDMO C[N@H+]1CCC[C@]2(CCN(c3ccc(C#N)cc3Cl)C2)C1 ZINC001333720376 936059143 /nfs/dbraw/zinc/05/91/43/936059143.db2.gz ZYZRHXSFHGWOFR-INIZCTEOSA-N 1 1 289.810 3.134 20 30 CGEDMO CCN1C[C@@H](C)[N@@H+](CCCCC2(C#N)CCC2)C[C@H]1C ZINC001333874267 936072356 /nfs/dbraw/zinc/07/23/56/936072356.db2.gz RJMYWUWLIHMIPJ-HZPDHXFCSA-N 1 1 277.456 3.265 20 30 CGEDMO CC[N@@H+]1C[C@@H](C)N(CCCCC2(C#N)CCC2)C[C@H]1C ZINC001333874267 936072360 /nfs/dbraw/zinc/07/23/60/936072360.db2.gz RJMYWUWLIHMIPJ-HZPDHXFCSA-N 1 1 277.456 3.265 20 30 CGEDMO CC[N@H+]1C[C@@H](C)N(CCCCC2(C#N)CCC2)C[C@H]1C ZINC001333874267 936072364 /nfs/dbraw/zinc/07/23/64/936072364.db2.gz RJMYWUWLIHMIPJ-HZPDHXFCSA-N 1 1 277.456 3.265 20 30 CGEDMO Cc1[nH+]ccn1CCCN(C)c1ccc(C#N)cc1Cl ZINC001334184342 936089584 /nfs/dbraw/zinc/08/95/84/936089584.db2.gz VTMUKBJQGVWMFB-UHFFFAOYSA-N 1 1 288.782 3.243 20 30 CGEDMO COC(=O)CC(C)(C)[N@@H+](C)CCCCC1(C#N)CCC1 ZINC001335581825 936153742 /nfs/dbraw/zinc/15/37/42/936153742.db2.gz LPCFQZIQBZLADP-UHFFFAOYSA-N 1 1 280.412 3.124 20 30 CGEDMO C#CC[N@H+](Cc1cc(-c2ccc(F)cc2)no1)CC1CC1 ZINC001335591753 936154912 /nfs/dbraw/zinc/15/49/12/936154912.db2.gz ZETAFCPFBCDUFT-UHFFFAOYSA-N 1 1 284.334 3.326 20 30 CGEDMO C=CCC[C@@H]1CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001337550369 936268626 /nfs/dbraw/zinc/26/86/26/936268626.db2.gz JGUBCTGDINEDTH-HUUCEWRRSA-N 1 1 289.423 3.354 20 30 CGEDMO C=CCC[N@@H+]1CCN(C(=O)OC(C)(C)C)CCC12CCC2 ZINC001473757871 937820219 /nfs/dbraw/zinc/82/02/19/937820219.db2.gz MPGNRCULHOVMGR-UHFFFAOYSA-N 1 1 294.439 3.428 20 30 CGEDMO CCOC(=O)[C@H](CC1CC1)[NH2+]CCCCC1(C#N)CCC1 ZINC001473772993 937821169 /nfs/dbraw/zinc/82/11/69/937821169.db2.gz HDOVISQCUYQJNL-HNNXBMFYSA-N 1 1 292.423 3.172 20 30 CGEDMO C[N@H+](CCCC#N)CCCCCCNC(=O)OC(C)(C)C ZINC001473776216 937821899 /nfs/dbraw/zinc/82/18/99/937821899.db2.gz COWMRZVUBNSQGS-UHFFFAOYSA-N 1 1 297.443 3.307 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@H]1CN(C)Cc1cc(C#N)cs1 ZINC001473837980 937823888 /nfs/dbraw/zinc/82/38/88/937823888.db2.gz WAOOCWWTPQVHMW-HNNXBMFYSA-N 1 1 291.464 3.314 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC001473865222 937825555 /nfs/dbraw/zinc/82/55/55/937825555.db2.gz NFABYKJVMZLZHI-UKRRQHHQSA-N 1 1 290.794 3.096 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001474389578 937856565 /nfs/dbraw/zinc/85/65/65/937856565.db2.gz PIWNMTTXNTVUQY-INIZCTEOSA-N 1 1 275.392 3.293 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2N(C)C)CC(C)(C)C1 ZINC001474389117 937856709 /nfs/dbraw/zinc/85/67/09/937856709.db2.gz GRLHYOGNDORJAM-AWEZNQCLSA-N 1 1 285.435 3.492 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2nccc3c2CCCC3)C1 ZINC001474594782 937869501 /nfs/dbraw/zinc/86/95/01/937869501.db2.gz AMIVEMPMFUCVSX-OAHLLOKOSA-N 1 1 268.404 3.196 20 30 CGEDMO C#CC[N@H+](C[C@@]1(C)C[C@@H]1c1ccccc1)C1CSC1 ZINC001474674629 937874581 /nfs/dbraw/zinc/87/45/81/937874581.db2.gz IRTKPSFXXHLCFF-IAGOWNOFSA-N 1 1 271.429 3.231 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC001479094499 937916333 /nfs/dbraw/zinc/91/63/33/937916333.db2.gz WVJHMYNDEGJNSE-HNNXBMFYSA-N 1 1 295.471 3.103 20 30 CGEDMO C=C(C)C[N@@H+](C)CCCNC(=O)c1ccsc1Cl ZINC001479800375 937925785 /nfs/dbraw/zinc/92/57/85/937925785.db2.gz KVUFMVCHJLXWSM-UHFFFAOYSA-N 1 1 286.828 3.029 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)[C@H]2C[C@H]2C)CC1 ZINC001479990287 937930660 /nfs/dbraw/zinc/93/06/60/937930660.db2.gz VPJHQHMUAPOOGT-DOMZBBRYSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC(CC)CC ZINC001480100850 937932289 /nfs/dbraw/zinc/93/22/89/937932289.db2.gz DMICETLQUAOAAL-CALCHBBNSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CCCC ZINC001480092982 937932298 /nfs/dbraw/zinc/93/22/98/937932298.db2.gz IURQKKUBMCKRHJ-OAGGEKHMSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CCCC ZINC001480092982 937932299 /nfs/dbraw/zinc/93/22/99/937932299.db2.gz IURQKKUBMCKRHJ-OAGGEKHMSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)C2(C)CC(=C)C2)C1 ZINC001480085111 937932347 /nfs/dbraw/zinc/93/23/47/937932347.db2.gz PKJAHJGOTPFNMB-MRXNPFEDSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC(CC)CC)C1 ZINC001480189900 937933835 /nfs/dbraw/zinc/93/38/35/937933835.db2.gz URJBTPISNPZUJY-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1CCC[N@H+](C[C@H](F)CC)C1 ZINC001480260330 937935118 /nfs/dbraw/zinc/93/51/18/937935118.db2.gz VOFIOZVJMLWWHY-HUUCEWRRSA-N 1 1 298.446 3.165 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CC(=C)Cl)C1 ZINC001480379840 937937600 /nfs/dbraw/zinc/93/76/00/937937600.db2.gz MSRPVOXRIVFVEX-GJZGRUSLSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C=C2CCCCC2)C1 ZINC001480375474 937937667 /nfs/dbraw/zinc/93/76/67/937937667.db2.gz IEPWDPHUDZQPAJ-WBVHZDCISA-N 1 1 290.451 3.280 20 30 CGEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)C[C@@H](CC)CCCC)C1 ZINC001480728590 937942499 /nfs/dbraw/zinc/94/24/99/937942499.db2.gz TVZRJFLGNBIQOO-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1 ZINC001480717912 937942550 /nfs/dbraw/zinc/94/25/50/937942550.db2.gz YCILARVTTJRWKM-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](CCC)C(C)C)C1 ZINC001480735847 937943089 /nfs/dbraw/zinc/94/30/89/937943089.db2.gz KWXITISVJWNCIU-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001492994136 937946317 /nfs/dbraw/zinc/94/63/17/937946317.db2.gz ZCDNIVYKWRSZEL-BZUAXINKSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C1(C)CC(=C)C1 ZINC001493136418 937947911 /nfs/dbraw/zinc/94/79/11/937947911.db2.gz SBWIGFNGUKCBLE-JKSUJKDBSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](CNC(=O)/C(C)=C\C)C1 ZINC001493194617 937948433 /nfs/dbraw/zinc/94/84/33/937948433.db2.gz XVSWFSOAGBSFKF-STJUIISESA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](CNC(=O)C2C(C)(C)C2(C)C)C1 ZINC001493191651 937948683 /nfs/dbraw/zinc/94/86/83/937948683.db2.gz XMJFPHNIZUSNOM-AWEZNQCLSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)[C@H]1CCCCC1(C)C)C1CC1 ZINC001493452714 937950694 /nfs/dbraw/zinc/95/06/94/937950694.db2.gz XYMDYABCTQQQGT-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)c1cccs1)C(C)C ZINC001493851239 937951462 /nfs/dbraw/zinc/95/14/62/937951462.db2.gz SSQBIGGYZGXSQM-UHFFFAOYSA-N 1 1 280.437 3.155 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CC=CCC2)C1 ZINC001493985936 937952683 /nfs/dbraw/zinc/95/26/83/937952683.db2.gz OYBUXXJVLPDSDJ-DLBZAZTESA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](CCNC(=O)c2cc(Cl)cs2)C1 ZINC001494057793 937953083 /nfs/dbraw/zinc/95/30/83/937953083.db2.gz VBJDXNHEJLKYEC-LLVKDONJSA-N 1 1 298.839 3.029 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC2(C)C)C1 ZINC001494155430 937953559 /nfs/dbraw/zinc/95/35/59/937953559.db2.gz SSXSUCWJWKDAFP-HOTGVXAUSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCN(C(=O)C(CC)(CC)CC)C1 ZINC001494165628 937953750 /nfs/dbraw/zinc/95/37/50/937953750.db2.gz GCCKEZLPDMOFNJ-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001494718781 937955684 /nfs/dbraw/zinc/95/56/84/937955684.db2.gz LPBROFQNMUYSBG-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CCCCCC(=O)N(C)[C@@H]1CC[N@H+](CC/C=C/CC)C1 ZINC001494821404 937956487 /nfs/dbraw/zinc/95/64/87/937956487.db2.gz IBAHCWGCZVRRDY-UGAXZCSASA-N 1 1 290.451 3.069 20 30 CGEDMO C=C(C)CCC(=O)N(C)[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001494824759 937956524 /nfs/dbraw/zinc/95/65/24/937956524.db2.gz DTQOADPKRKVMRM-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H](C)C#N)C1 ZINC001494890867 937956841 /nfs/dbraw/zinc/95/68/41/937956841.db2.gz VAUFQNAPEICAIW-JKSUJKDBSA-N 1 1 293.455 3.039 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)CCC2CC2)C1 ZINC001494890145 937957078 /nfs/dbraw/zinc/95/70/78/937957078.db2.gz NWZBKZKHTGBZLX-NVXWUHKLSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)CCCC2CC2)C1 ZINC001494909142 937957228 /nfs/dbraw/zinc/95/72/28/937957228.db2.gz HPAUHMNRQUMLOF-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@@H]1CCC ZINC001496734471 937963814 /nfs/dbraw/zinc/96/38/14/937963814.db2.gz SRPLPEXJFXEXLG-JKSUJKDBSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC(C)(C)C1 ZINC001498376279 937969284 /nfs/dbraw/zinc/96/92/84/937969284.db2.gz IWWLNXXNTYRGCE-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C=C)cc1 ZINC001499063852 937972012 /nfs/dbraw/zinc/97/20/12/937972012.db2.gz RQSGZVKZZUHTHV-KRWDZBQOSA-N 1 1 284.403 3.100 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@H]1CC[N@H+]1CC1CCCCC1 ZINC001499070770 937972160 /nfs/dbraw/zinc/97/21/60/937972160.db2.gz FCJXPJASVXPRAF-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)C1(CCCC)CC1 ZINC001499058817 937972190 /nfs/dbraw/zinc/97/21/90/937972190.db2.gz XGEXXFSADJCZRS-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)C1(CC)CCCC1 ZINC001499093775 937972589 /nfs/dbraw/zinc/97/25/89/937972589.db2.gz RPMYTBGJKOVOGZ-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]1CNC(=O)CCCC1CCCC1 ZINC001499132482 937972690 /nfs/dbraw/zinc/97/26/90/937972690.db2.gz RTYJAGHMHABYEN-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)CCCCCC)C1 ZINC001500550244 937977962 /nfs/dbraw/zinc/97/79/62/937977962.db2.gz LTMMHNIDZKYVQT-SFHVURJKSA-N 1 1 292.467 3.198 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CCC[N@H+](CCCC)CC1 ZINC001502134904 937981197 /nfs/dbraw/zinc/98/11/97/937981197.db2.gz BWXYERLUFZXQIL-OAHLLOKOSA-N 1 1 266.429 3.114 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CCCCCCCC)CC1 ZINC001502145643 937981657 /nfs/dbraw/zinc/98/16/57/937981657.db2.gz VQESNNXSKVQXLQ-KRWDZBQOSA-N 1 1 292.467 3.341 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC001502135073 937981698 /nfs/dbraw/zinc/98/16/98/937981698.db2.gz GSXIAVVLXXSFAP-SJLPKXTDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)c1c(C)coc1C ZINC001502181407 937981975 /nfs/dbraw/zinc/98/19/75/937981975.db2.gz NTOROLCFTAWEIS-UHFFFAOYSA-N 1 1 292.423 3.257 20 30 CGEDMO C=CCCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC1(C)C ZINC001502365898 937982208 /nfs/dbraw/zinc/98/22/08/937982208.db2.gz PGSRETFVDQUNTE-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[C@@H]1CC ZINC001502371441 937982273 /nfs/dbraw/zinc/98/22/73/937982273.db2.gz KXWBOHQAXCPJCJ-HOTGVXAUSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)/C=C(\C)CC ZINC001502522310 937982643 /nfs/dbraw/zinc/98/26/43/937982643.db2.gz OZOOPVYTPHWZTN-HAZIXKIPSA-N 1 1 298.430 3.072 20 30 CGEDMO C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)/C=C(\C)CC ZINC001502522310 937982644 /nfs/dbraw/zinc/98/26/44/937982644.db2.gz OZOOPVYTPHWZTN-HAZIXKIPSA-N 1 1 298.430 3.072 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@@H+](CCC2CC2)[C@H](C)C1 ZINC001502923054 937983892 /nfs/dbraw/zinc/98/38/92/937983892.db2.gz MUOSBMQFIGCLNJ-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@@H+](CCC2CC2)[C@@H](C)C1 ZINC001502923055 937983894 /nfs/dbraw/zinc/98/38/94/937983894.db2.gz MUOSBMQFIGCLNJ-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(CC)CC)C[C@H]1C ZINC001503013388 937984033 /nfs/dbraw/zinc/98/40/33/937984033.db2.gz FLBROQSDPOVAPB-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO Cc1ccc(N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nc1C#N ZINC001548515401 937984682 /nfs/dbraw/zinc/98/46/82/937984682.db2.gz XJWRORNSIIXNLP-LSDHHAIUSA-N 1 1 298.434 3.327 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)C1CCCCC1 ZINC001505419053 937985333 /nfs/dbraw/zinc/98/53/33/937985333.db2.gz HKLIDLPOHQRPOI-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C1(C)CCCC1 ZINC001505439932 937985540 /nfs/dbraw/zinc/98/55/40/937985540.db2.gz JCBACPZYSPFICT-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)C(CC)CC ZINC001506558279 937990736 /nfs/dbraw/zinc/99/07/36/937990736.db2.gz LTNZQQSSIQSFFP-DOTOQJQBSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2CCC)C(C)(C)C1 ZINC001506747316 937991734 /nfs/dbraw/zinc/99/17/34/937991734.db2.gz QCEQNBMVKPFJAM-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)/C(C)=C\CC)C(C)(C)C1 ZINC001506734067 937991772 /nfs/dbraw/zinc/99/17/72/937991772.db2.gz QLFFMGXORYDRMU-CKNOQMABSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)C2(CC=C)CCCC2)C(C)(C)C1 ZINC001506756104 937991885 /nfs/dbraw/zinc/99/18/85/937991885.db2.gz KYOLJWOVSYUTBV-HNNXBMFYSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)C2CC=CC2)CC1 ZINC001506953872 937992985 /nfs/dbraw/zinc/99/29/85/937992985.db2.gz OLVKQSSWHCVYMZ-OAHLLOKOSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)CCCC#CC)CC1 ZINC001506964071 937993251 /nfs/dbraw/zinc/99/32/51/937993251.db2.gz MBVPIZPWBSCEIP-UHFFFAOYSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](CCCCCF)[C@@H]1C ZINC001507386636 937995832 /nfs/dbraw/zinc/99/58/32/937995832.db2.gz VJAINDSICLWNHX-CABCVRRESA-N 1 1 298.446 3.308 20 30 CGEDMO CCCCC[N@@H+](C)CCN(C(=O)C#CC(C)(C)C)C(C)C ZINC001507788284 937996878 /nfs/dbraw/zinc/99/68/78/937996878.db2.gz RYRMFNNEWKWYMV-UHFFFAOYSA-N 1 1 294.483 3.395 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C(=O)c1c[nH]cc1C)C(C)C ZINC001507863564 937997068 /nfs/dbraw/zinc/99/70/68/937997068.db2.gz WOSYMXIDFCGACV-UHFFFAOYSA-N 1 1 291.439 3.072 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)c1ccc(F)cc1C)C(C)C ZINC001507863262 937997208 /nfs/dbraw/zinc/99/72/08/937997208.db2.gz HGNLYJJWHMAUEG-UHFFFAOYSA-N 1 1 292.398 3.103 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)C(C)(CC)CC)CC1 ZINC001508230045 937998780 /nfs/dbraw/zinc/99/87/80/937998780.db2.gz PSUVVWHLNHQJOG-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(CC(C)C)C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC001519020559 938017641 /nfs/dbraw/zinc/01/76/41/938017641.db2.gz NVACUCPAMUISIY-UHFFFAOYSA-N 1 1 288.435 3.357 20 30 CGEDMO CCCCCCCCC(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001540074073 938127768 /nfs/dbraw/zinc/12/77/68/938127768.db2.gz OAMCKFUMLKPEBF-HRCADAONSA-N 1 1 280.456 3.193 20 30 CGEDMO C#CC[N@H+](CCOCCCC)[C@@H]1CCc2ccccc21 ZINC001559499199 938227570 /nfs/dbraw/zinc/22/75/70/938227570.db2.gz LOIYFBVJVGYBKF-GOSISDBHSA-N 1 1 271.404 3.426 20 30 CGEDMO C#CCC[N@H+](CCC)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC001559550880 938229211 /nfs/dbraw/zinc/22/92/11/938229211.db2.gz TZQVQYFSWGPXIX-HZPDHXFCSA-N 1 1 263.425 3.460 20 30 CGEDMO C#CCOCC[N@@H+]1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1 ZINC001559559255 938229423 /nfs/dbraw/zinc/22/94/23/938229423.db2.gz MZCSBPAECDBVKS-SJLPKXTDSA-N 1 1 271.404 3.418 20 30 CGEDMO CC(C)[C@@H]1CCCCC[N@H+]1Cc1nc(C#N)cs1 ZINC001559688992 938232932 /nfs/dbraw/zinc/23/29/32/938232932.db2.gz GJDSKDJULIHADZ-ZDUSSCGKSA-N 1 1 263.410 3.415 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)C[C@H](O)[C@@H](C)c1ccccc1 ZINC001559821703 938236578 /nfs/dbraw/zinc/23/65/78/938236578.db2.gz ZKXGVNNJSQZCQS-PXNSSMCTSA-N 1 1 293.410 3.286 20 30 CGEDMO C=CCCCC[N@@H+](CC(=O)OCC)Cc1ccccc1O ZINC001559930267 938239391 /nfs/dbraw/zinc/23/93/91/938239391.db2.gz LFFFMCUPNQCJJN-UHFFFAOYSA-N 1 1 291.391 3.114 20 30 CGEDMO C=CCCCC[N@H+](CC(=O)OCC)Cc1ccccc1O ZINC001559930267 938239392 /nfs/dbraw/zinc/23/93/92/938239392.db2.gz LFFFMCUPNQCJJN-UHFFFAOYSA-N 1 1 291.391 3.114 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](CC(=O)N(C)[C@H](C)CC(C)C)C1 ZINC001559983705 938240922 /nfs/dbraw/zinc/24/09/22/938240922.db2.gz ZHUZAAUUARZFBZ-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO C[C@H]1c2sccc2CC[N@@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001560112964 938244363 /nfs/dbraw/zinc/24/43/63/938244363.db2.gz TYASGQPHQUEBFX-LRDDRELGSA-N 1 1 298.411 3.272 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CCC(C)(C)[C@@H](c2ccccc2)C1 ZINC001560180849 938246593 /nfs/dbraw/zinc/24/65/93/938246593.db2.gz HGNMPURQNLKERY-IAGOWNOFSA-N 1 1 273.420 3.439 20 30 CGEDMO C=CCCC[N@H+](CC)CCC(=O)N1CCc2ccccc21 ZINC001560204360 938247100 /nfs/dbraw/zinc/24/71/00/938247100.db2.gz IKBIGDXHVJDMSF-UHFFFAOYSA-N 1 1 286.419 3.254 20 30 CGEDMO Cc1cccnc1[C@@H](C)[NH2+]Cc1cccc(C#N)c1F ZINC001560221406 938247545 /nfs/dbraw/zinc/24/75/45/938247545.db2.gz VJWHRMZBZRLXRD-GFCCVEGCSA-N 1 1 269.323 3.252 20 30 CGEDMO CC[N@@H+](Cc1ccc(Cl)cc1O)C[C@H](C)C#N ZINC001560693286 938270721 /nfs/dbraw/zinc/27/07/21/938270721.db2.gz CEHGUXYPNKPEGD-SNVBAGLBSA-N 1 1 252.745 3.027 20 30 CGEDMO CC[N@H+](Cc1ccc(Cl)cc1O)C[C@H](C)C#N ZINC001560693286 938270722 /nfs/dbraw/zinc/27/07/22/938270722.db2.gz CEHGUXYPNKPEGD-SNVBAGLBSA-N 1 1 252.745 3.027 20 30 CGEDMO C=CCC[C@H]([NH2+]C[C@H]1CCCC[C@H]1C)C(=O)OCC ZINC001560837349 938278875 /nfs/dbraw/zinc/27/88/75/938278875.db2.gz OTJCXHKAQMKMDW-KFWWJZLASA-N 1 1 267.413 3.300 20 30 CGEDMO C=CCC[N@@H+](C)CCNC(=O)c1cc2c(ccc(C)c2C)[nH]1 ZINC001480898011 957690986 /nfs/dbraw/zinc/69/09/86/957690986.db2.gz BPJHKICWDIWYMP-UHFFFAOYSA-N 1 1 299.418 3.022 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@]2(CCN(C(=O)CCCF)C2)C1 ZINC001569478789 960447407 /nfs/dbraw/zinc/44/74/07/960447407.db2.gz WLIZAEMFXHHXGP-RDJZCZTQSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@]1(C)CC[N@H+](C[C@@H](C)CC)C1 ZINC001569638987 960451806 /nfs/dbraw/zinc/45/18/06/960451806.db2.gz KWXANCVOBMNRLK-YOEHRIQHSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)C[C@@H](CC)C(C)(C)C ZINC001569380995 960452065 /nfs/dbraw/zinc/45/20/65/960452065.db2.gz ZHOFIWYPWICQAS-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1CC[N@@H+](CCCC(C)C)C1 ZINC001566673085 960569512 /nfs/dbraw/zinc/56/95/12/960569512.db2.gz ZREATGGNQDCVKA-HZPDHXFCSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)C[C@H](C)C2CC2)C1 ZINC001566746335 960570386 /nfs/dbraw/zinc/57/03/86/960570386.db2.gz GDJBNLZRMHMJTC-JKSUJKDBSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)/C(C)=C\C)C1 ZINC001566734959 960577422 /nfs/dbraw/zinc/57/74/22/960577422.db2.gz FICCJILFRGCSQV-PJVYJYFWSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)CCC ZINC001566748329 960577768 /nfs/dbraw/zinc/57/77/68/960577768.db2.gz BMDMYJKPWWDVME-YESZJQIVSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(Cl)C[N@H+](CCC)CCNC(=O)[C@@H]1CC[C@@H](C)C1 ZINC001567434556 960595835 /nfs/dbraw/zinc/59/58/35/960595835.db2.gz FUPTVVZIMLRWGP-TZMCWYRMSA-N 1 1 286.847 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+](CCC)CCNC(=O)[C@@H]1CC[C@@H](C)C1 ZINC001567434556 960595845 /nfs/dbraw/zinc/59/58/45/960595845.db2.gz FUPTVVZIMLRWGP-TZMCWYRMSA-N 1 1 286.847 3.003 20 30 CGEDMO C=CCCCCCCNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC001564727071 960678844 /nfs/dbraw/zinc/67/88/44/960678844.db2.gz LLEKCVUVXGKMOP-HNNXBMFYSA-N 1 1 295.471 3.295 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(CC)CCCC1 ZINC001565829348 960834022 /nfs/dbraw/zinc/83/40/22/960834022.db2.gz DQTIRAQNGLHMNX-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCCC1 ZINC001565825457 960834186 /nfs/dbraw/zinc/83/41/86/960834186.db2.gz VEWUKQSWLNOCRI-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC1(C(=O)N(C)C[C@H]2CC[N@H+]2CC2CCC2)CCC1 ZINC001565826906 960839734 /nfs/dbraw/zinc/83/97/34/960839734.db2.gz UZVOQRLCZZUVFN-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)C(C)(C)C ZINC001565819413 960842481 /nfs/dbraw/zinc/84/24/81/960842481.db2.gz FXNPUJRRRFRQSD-LSDHHAIUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)/C(C)=C/C)C1 ZINC001565880884 960855951 /nfs/dbraw/zinc/85/59/51/960855951.db2.gz GUHQDJGCJHPQMM-ISSVYOCRSA-N 1 1 298.430 3.113 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C(CC)CC)[C@H]1CC ZINC001566016133 960870795 /nfs/dbraw/zinc/87/07/95/960870795.db2.gz BGPGMQYXNNROJK-BHYGNILZSA-N 1 1 292.467 3.051 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)[C@@H]1CCCC1(C)C ZINC001566561656 960953362 /nfs/dbraw/zinc/95/33/62/960953362.db2.gz LEZBIRYPOSBVIK-HNNXBMFYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@@H+](CC)CCCNC(=O)C1(F)CCCCC1 ZINC001566572373 960962833 /nfs/dbraw/zinc/96/28/33/960962833.db2.gz RHBOZAMZBWZBJM-UHFFFAOYSA-N 1 1 284.419 3.063 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C2(CCCC)CC2)C1 ZINC001566628822 960969226 /nfs/dbraw/zinc/96/92/26/960969226.db2.gz HXJIGSWBVCCKOV-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC)CCCCC)C1 ZINC001566633476 960969498 /nfs/dbraw/zinc/96/94/98/960969498.db2.gz PGTJNCMDHJAIGO-DLBZAZTESA-N 1 1 292.467 3.197 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H](NC(=O)C(C)(F)F)C1 ZINC001566614712 960972723 /nfs/dbraw/zinc/97/27/23/960972723.db2.gz JNQOUTOBLPRBCR-ZDUSSCGKSA-N 1 1 290.398 3.193 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)C2(CF)CCC2)C1 ZINC001566629313 960979941 /nfs/dbraw/zinc/97/99/41/960979941.db2.gz YNQCILPQMZEOLA-GJZGRUSLSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)/C=C(/C)CC)C1 ZINC001566740123 960999157 /nfs/dbraw/zinc/99/91/57/960999157.db2.gz QMBSKHWTDDFYMG-IZNAZMGOSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C ZINC001566756364 961009542 /nfs/dbraw/zinc/00/95/42/961009542.db2.gz MXBKSFLKFLWKBE-SOUVJXGZSA-N 1 1 278.440 3.062 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[C@H](C[N@@H+](C)CC(C)C)C1 ZINC001566742790 961011776 /nfs/dbraw/zinc/01/17/76/961011776.db2.gz CXXNANSCBMVZRZ-AEFFLSMTSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCC(C)C)C1 ZINC001566958959 961068300 /nfs/dbraw/zinc/06/83/00/961068300.db2.gz WSAISNFUYKPQIF-HZPDHXFCSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]([N@@H+](C)CCCCCF)C1 ZINC001567188675 961129680 /nfs/dbraw/zinc/12/96/80/961129680.db2.gz RRVKWKGEVUDDFY-OAHLLOKOSA-N 1 1 284.419 3.015 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@H]([N@H+](C)CC[C@@H](C)F)C1 ZINC001567192455 961131508 /nfs/dbraw/zinc/13/15/08/961131508.db2.gz ADGICKPLGWFYIU-CABCVRRESA-N 1 1 298.446 3.260 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(C)o2)C1 ZINC001567186136 961134169 /nfs/dbraw/zinc/13/41/69/961134169.db2.gz HEOBYXAYPMRMPO-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCC1(C)C ZINC001567257891 961152093 /nfs/dbraw/zinc/15/20/93/961152093.db2.gz SAJITPFDRNRWOD-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)C(C)(CC)CC ZINC001567266143 961158012 /nfs/dbraw/zinc/15/80/12/961158012.db2.gz HEWGHJNHBJJHBE-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC(C)(C)CC(=O)NCC[N@H+](C)[C@H](C)c1ccccc1 ZINC001567284259 961267557 /nfs/dbraw/zinc/26/75/57/961267557.db2.gz ZYYXEJCBWBDQDT-OAHLLOKOSA-N 1 1 288.435 3.398 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCC[N@H+](CC)CC1CC(C)C1 ZINC001567344178 961296224 /nfs/dbraw/zinc/29/62/24/961296224.db2.gz WOGXWAZTCGDHPF-VMBOVVBDSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)CC1CCC1 ZINC001567361915 961312493 /nfs/dbraw/zinc/31/24/93/961312493.db2.gz XSQSGINACYWXAO-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](F)CC ZINC001567674116 961394547 /nfs/dbraw/zinc/39/45/47/961394547.db2.gz VGXMLIOSAJYCDL-XUWVNRHRSA-N 1 1 296.430 3.012 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](F)CC ZINC001567674116 961394561 /nfs/dbraw/zinc/39/45/61/961394561.db2.gz VGXMLIOSAJYCDL-XUWVNRHRSA-N 1 1 296.430 3.012 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](CCNC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001567714197 961404722 /nfs/dbraw/zinc/40/47/22/961404722.db2.gz GOKHUKIDQYJPRY-FUHWJXTLSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](CCNC(=O)c2cscc2Cl)C1 ZINC001567701894 961408590 /nfs/dbraw/zinc/40/85/90/961408590.db2.gz RUQZSFLCAPOISY-LLVKDONJSA-N 1 1 298.839 3.029 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC001567722555 961416492 /nfs/dbraw/zinc/41/64/92/961416492.db2.gz NIGOLQQOHADVFR-CQSZACIVSA-N 1 1 298.858 3.100 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2Cl)C1 ZINC001567899205 961452065 /nfs/dbraw/zinc/45/20/65/961452065.db2.gz HXQWAOAZPUVFCH-CYBMUJFWSA-N 1 1 292.810 3.110 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001567891606 961456391 /nfs/dbraw/zinc/45/63/91/961456391.db2.gz JVUUEXJKYUFQJZ-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO CC#CCCCC(=O)N(C)[C@@H]1CC[N@H+](CCCCCC)C1 ZINC001567919268 961462126 /nfs/dbraw/zinc/46/21/26/961462126.db2.gz XSAZAAVNKVINCZ-QGZVFWFLSA-N 1 1 292.467 3.293 20 30 CGEDMO C=CC[N@H+](C)CCC1CCN(C(=O)[C@](C)(C=C)CC)CC1 ZINC001568438396 961575199 /nfs/dbraw/zinc/57/51/99/961575199.db2.gz GHSVMCJZMTVOBA-GOSISDBHSA-N 1 1 292.467 3.335 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001568506414 961608138 /nfs/dbraw/zinc/60/81/38/961608138.db2.gz IWLMMCPIXCPDAH-UHFFFAOYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)/C(C)=C/CC ZINC001569107774 961690737 /nfs/dbraw/zinc/69/07/37/961690737.db2.gz XDLDECCRSDATMY-XGWPRKDGSA-N 1 1 266.429 3.134 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)c1sccc1Cl ZINC001569118318 961696474 /nfs/dbraw/zinc/69/64/74/961696474.db2.gz QRFWEAYAICOEHD-SNVBAGLBSA-N 1 1 286.828 3.028 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)c1cccs1 ZINC001569137692 961698202 /nfs/dbraw/zinc/69/82/02/961698202.db2.gz GXUJHOHLAIZLSH-KBPBESRZSA-N 1 1 294.464 3.254 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC([C@H]2CC[N@H+](CC)C2)CC1 ZINC001569434992 961765682 /nfs/dbraw/zinc/76/56/82/961765682.db2.gz XGPPEANBBZSSOI-INIZCTEOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CCC(=O)N1CCCC[C@@H]1[C@H]1CC[N@@H+](CCF)C1 ZINC001569437267 961771564 /nfs/dbraw/zinc/77/15/64/961771564.db2.gz RTTZLMIXIFYDLH-JKSUJKDBSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC[NH+]1CC(N(C)C(=O)[C@H](CC)CC2CCCC2)C1 ZINC001569500660 961780506 /nfs/dbraw/zinc/78/05/06/961780506.db2.gz SBMYYUUWOGCNNP-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001569641678 961808670 /nfs/dbraw/zinc/80/86/70/961808670.db2.gz RROUCNLOOYIDLL-ZBFHGGJFSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001569641678 961808686 /nfs/dbraw/zinc/80/86/86/961808686.db2.gz RROUCNLOOYIDLL-ZBFHGGJFSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CCCCC(=O)N[C@]1(C)CC[N@H+](CCCC(C)C)C1 ZINC001569646836 961812084 /nfs/dbraw/zinc/81/20/84/961812084.db2.gz SKYSMSJVLGESMT-QGZVFWFLSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)C[C@H](C)CC(C)C)C1 ZINC001569651298 961813521 /nfs/dbraw/zinc/81/35/21/961813521.db2.gz OPZRDQZRYJJWGR-WBVHZDCISA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCC ZINC001569905742 961867371 /nfs/dbraw/zinc/86/73/71/961867371.db2.gz YNLAEJHVQOAGSN-JKSUJKDBSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](C)CC ZINC001569906258 961875109 /nfs/dbraw/zinc/87/51/09/961875109.db2.gz JCFMCJBUNNUTEC-OWCLPIDISA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC(=C)C ZINC001569911063 961878822 /nfs/dbraw/zinc/87/88/22/961878822.db2.gz ZFERQUOQXZLYHG-IRXDYDNUSA-N 1 1 290.451 3.374 20 30 CGEDMO C=CC[N@H+](C)Cc1ccccc1CNC(=O)C=C1CCC1 ZINC001570025852 961889068 /nfs/dbraw/zinc/88/90/68/961889068.db2.gz OPSGFVVWNOOFAC-UHFFFAOYSA-N 1 1 284.403 3.031 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001570193408 961919533 /nfs/dbraw/zinc/91/95/33/961919533.db2.gz GAEUUIWUCUVCAQ-NCOADZHNSA-N 1 1 292.467 3.168 20 30 CGEDMO CCCCC[N@@H+](C)CCCN(C)C(=O)C#CC(C)(C)C ZINC001570197126 961922904 /nfs/dbraw/zinc/92/29/04/961922904.db2.gz XELJYFCSVXQUCV-UHFFFAOYSA-N 1 1 280.456 3.006 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)C[C@@H]1CC=CCC1 ZINC001570206598 961928474 /nfs/dbraw/zinc/92/84/74/961928474.db2.gz YCJGNBHVRMKCDO-QGZVFWFLSA-N 1 1 292.467 3.479 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](CC)CC(C)C)CC1 ZINC001570185532 961929573 /nfs/dbraw/zinc/92/95/73/961929573.db2.gz NCUBHSNQQLFAQZ-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CCCCCCC(=O)N[C@H]1CC[N@H+](C(C)C)CC1(C)C ZINC001570395826 961960514 /nfs/dbraw/zinc/96/05/14/961960514.db2.gz RCNZGFHPXNZNRM-INIZCTEOSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@@H+](CC(=C)C)[C@H](C)C1 ZINC001570438179 961965816 /nfs/dbraw/zinc/96/58/16/961965816.db2.gz WLUBJTPRIVUNCC-NVXWUHKLSA-N 1 1 290.451 3.300 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@H](CCC)c1ccccc1 ZINC001570750411 962069476 /nfs/dbraw/zinc/06/94/76/962069476.db2.gz RPICNXOTFGHVRA-DOTOQJQBSA-N 1 1 288.435 3.193 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)CNC(=O)C(C)(C)CC(C)(C)C ZINC001570751057 962080253 /nfs/dbraw/zinc/08/02/53/962080253.db2.gz BENGZFIEYXXZIW-CYBMUJFWSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C=C(C)C)C[C@@H]2C1 ZINC001571007265 962111567 /nfs/dbraw/zinc/11/15/67/962111567.db2.gz CQJMAECPJVVGHU-GVDBMIGSSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H]2C[N@H+](CCC)C[C@H]2C1 ZINC001571024122 962116811 /nfs/dbraw/zinc/11/68/11/962116811.db2.gz UHQDWJWLUOCYCL-ARFHVFGLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CCC[N@@H+](CCC(=C)C)[C@H]1C ZINC001571522751 962173112 /nfs/dbraw/zinc/17/31/12/962173112.db2.gz JKYPSUYXJUJKFT-JKSUJKDBSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCCCC(=O)N[C@]12CCC[C@H]1[N@@H+](CCC(=C)C)CC2 ZINC001571503716 962173445 /nfs/dbraw/zinc/17/34/45/962173445.db2.gz UXZBZVANMBIPCS-AEFFLSMTSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C(CC)CC)[C@H]1C ZINC001571515099 962174090 /nfs/dbraw/zinc/17/40/90/962174090.db2.gz OBYBPMSTCCYLKE-ZBFHGGJFSA-N 1 1 280.456 3.358 20 30 CGEDMO N#CC1(CCC[N@@H+]2CCCc3cc(N)ccc32)CCOCC1 ZINC001580038839 962689264 /nfs/dbraw/zinc/68/92/64/962689264.db2.gz UWXLMTVTUHFOOV-UHFFFAOYSA-N 1 1 299.418 3.122 20 30 CGEDMO N#CC1(CCC[N@H+]2CCCc3cc(N)ccc32)CCOCC1 ZINC001580038839 962689273 /nfs/dbraw/zinc/68/92/73/962689273.db2.gz UWXLMTVTUHFOOV-UHFFFAOYSA-N 1 1 299.418 3.122 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)CCOC(C)(C)C)cc1 ZINC000620933341 349435500 /nfs/dbraw/zinc/43/55/00/349435500.db2.gz DRUJKRMQWONPEA-UHFFFAOYSA-N 1 1 277.408 3.498 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1Cl)[C@@H](C)COC ZINC000621317669 349494488 /nfs/dbraw/zinc/49/44/88/349494488.db2.gz RWSCFQSOWVGIGK-LBPRGKRZSA-N 1 1 253.773 3.363 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1Cl)[C@@H](C)COC ZINC000621317669 349494493 /nfs/dbraw/zinc/49/44/93/349494493.db2.gz RWSCFQSOWVGIGK-LBPRGKRZSA-N 1 1 253.773 3.363 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc(Cl)c(O)c(OCC)c1 ZINC000298144977 260145147 /nfs/dbraw/zinc/14/51/47/260145147.db2.gz RCEGUPKRXZJZGU-UHFFFAOYSA-N 1 1 269.772 3.452 20 30 CGEDMO N#Cc1c(F)cccc1C[NH+]1CCC(c2cccnc2)CC1 ZINC000589990473 346820265 /nfs/dbraw/zinc/82/02/65/346820265.db2.gz JYODHBJZYFACDW-UHFFFAOYSA-N 1 1 295.361 3.472 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@H](O)C23CCCC3)cc1 ZINC000590122752 346828988 /nfs/dbraw/zinc/82/89/88/346828988.db2.gz MDYSYGWOQJNPOW-KRWDZBQOSA-N 1 1 298.430 3.367 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@](F)(c3ccccc3)C2)C1 ZINC000590180828 346834780 /nfs/dbraw/zinc/83/47/80/346834780.db2.gz GQXOVZAODNIQRT-FVQBIDKESA-N 1 1 258.340 3.249 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2C[C@@H](C)OCC23CCC3)c1 ZINC000651975983 398314623 /nfs/dbraw/zinc/31/46/23/398314623.db2.gz SVTBTHLMENMEIJ-OAHLLOKOSA-N 1 1 287.403 3.395 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c1 ZINC000652062304 398322194 /nfs/dbraw/zinc/32/21/94/398322194.db2.gz FLTLEVPYVNNUQN-OAHLLOKOSA-N 1 1 279.330 3.483 20 30 CGEDMO CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000590778629 346875079 /nfs/dbraw/zinc/87/50/79/346875079.db2.gz OHWVTNHMDILSSY-LLVKDONJSA-N 1 1 288.782 3.279 20 30 CGEDMO CCO[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2C)C[C@@H]1C ZINC000590756881 346872328 /nfs/dbraw/zinc/87/23/28/346872328.db2.gz DLFHQFCWEWWNBX-YOEHRIQHSA-N 1 1 272.392 3.114 20 30 CGEDMO COc1cccnc1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000590780111 346875619 /nfs/dbraw/zinc/87/56/19/346875619.db2.gz UQCRPJZHBIXWKR-MRXNPFEDSA-N 1 1 293.370 3.129 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000591063070 346897995 /nfs/dbraw/zinc/89/79/95/346897995.db2.gz IHALOHUWKJXATA-CQSZACIVSA-N 1 1 285.347 3.088 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CC[C@H](C3CCC3)C2)cc1 ZINC000591063427 346898178 /nfs/dbraw/zinc/89/81/78/346898178.db2.gz ZFTMBKQURQNXGH-KRWDZBQOSA-N 1 1 254.377 3.375 20 30 CGEDMO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1cc2n(n1)CCC2 ZINC000591239668 346910779 /nfs/dbraw/zinc/91/07/79/346910779.db2.gz BYRDBDJOCUCMBG-QWHCGFSZSA-N 1 1 280.375 3.113 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCCc2c(F)cc(F)cc21 ZINC000591374539 346918056 /nfs/dbraw/zinc/91/80/56/346918056.db2.gz XMNOXXJWVFXVNW-BDJLRTHQSA-N 1 1 289.329 3.375 20 30 CGEDMO C[C@H]([NH2+]Cc1nc2cccnc2s1)c1ccc(C#N)cc1 ZINC000338374598 214563134 /nfs/dbraw/zinc/56/31/34/214563134.db2.gz UWYZMYCEXXUNSP-NSHDSACASA-N 1 1 294.383 3.414 20 30 CGEDMO N#Cc1cnccc1C[N@@H+](CC1CCCCC1)C1CC1 ZINC000592061060 346958425 /nfs/dbraw/zinc/95/84/25/346958425.db2.gz QHJAOSHSZDTLHZ-UHFFFAOYSA-N 1 1 269.392 3.498 20 30 CGEDMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2ccncc2C#N)C1 ZINC000592070060 346960828 /nfs/dbraw/zinc/96/08/28/346960828.db2.gz DLTWFKJYAVIWDA-CABCVRRESA-N 1 1 275.421 3.059 20 30 CGEDMO CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](CCOCCC#N)C1 ZINC000592154322 346967539 /nfs/dbraw/zinc/96/75/39/346967539.db2.gz PEFQKNZNSDQZLY-HUUCEWRRSA-N 1 1 264.413 3.065 20 30 CGEDMO N#Cc1cnccc1C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000592121685 346964918 /nfs/dbraw/zinc/96/49/18/346964918.db2.gz ASJFHKBRZLJHNY-MRXNPFEDSA-N 1 1 277.371 3.333 20 30 CGEDMO C=C(C)[C@@H](CO)S[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000592354514 346978082 /nfs/dbraw/zinc/97/80/82/346978082.db2.gz JSSDZUYTPQHOOC-DLBZAZTESA-N 1 1 291.460 3.321 20 30 CGEDMO C[C@H](CSc1ccccc1)[N@@H+](C)CCOCCC#N ZINC000593046959 347031958 /nfs/dbraw/zinc/03/19/58/347031958.db2.gz VJXKKARLTDWOCH-CQSZACIVSA-N 1 1 278.421 3.029 20 30 CGEDMO CC(C)O[C@H]1CCC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000593054307 347033158 /nfs/dbraw/zinc/03/31/58/347033158.db2.gz VPPPKEWWFJVCMF-AWEZNQCLSA-N 1 1 276.355 3.087 20 30 CGEDMO CC(C)O[C@H]1CCC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000593054307 347033160 /nfs/dbraw/zinc/03/31/60/347033160.db2.gz VPPPKEWWFJVCMF-AWEZNQCLSA-N 1 1 276.355 3.087 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCSCC#N)CCc2ccccc21 ZINC000593096023 347039205 /nfs/dbraw/zinc/03/92/05/347039205.db2.gz PPSRGFGBXXMTJJ-CQSZACIVSA-N 1 1 274.433 3.295 20 30 CGEDMO C[C@H]1C[N@@H+](CCCCC(C)(C)C#N)C2(CCC2)CO1 ZINC000593091347 347038491 /nfs/dbraw/zinc/03/84/91/347038491.db2.gz GQAHOLIBSHHPSP-AWEZNQCLSA-N 1 1 264.413 3.350 20 30 CGEDMO C[C@@H]1C[N@H+]([C@@H]2CC[C@H](C#N)C2)CCc2ccccc21 ZINC000593090286 347038507 /nfs/dbraw/zinc/03/85/07/347038507.db2.gz HRXOMBKVUHZWJV-IJEWVQPXSA-N 1 1 254.377 3.340 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)o1)Cc1cccc2[nH]ccc21 ZINC000426374542 529984129 /nfs/dbraw/zinc/98/41/29/529984129.db2.gz XLBRQTGZZWEHNX-UHFFFAOYSA-N 1 1 265.316 3.265 20 30 CGEDMO CC[N@@H+](CCCNC(=O)CC(C)(C)C#N)C1CCCCC1 ZINC000593252420 347057418 /nfs/dbraw/zinc/05/74/18/347057418.db2.gz ZHKBTONUISRMBF-UHFFFAOYSA-N 1 1 293.455 3.087 20 30 CGEDMO C[N@H+]1CCCC[C@H]1CCC(=O)Nc1ccc2[nH]cnc2c1 ZINC000329045564 530052765 /nfs/dbraw/zinc/05/27/65/530052765.db2.gz FQRIFBZGAGLEPH-ZDUSSCGKSA-N 1 1 286.379 3.415 20 30 CGEDMO C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1ccc2nc[nH]c2c1 ZINC000329045564 530052766 /nfs/dbraw/zinc/05/27/66/530052766.db2.gz FQRIFBZGAGLEPH-ZDUSSCGKSA-N 1 1 286.379 3.415 20 30 CGEDMO C[N@H+]1CCCC[C@H]1CCC(=O)Nc1ccc2nc[nH]c2c1 ZINC000329045564 530052767 /nfs/dbraw/zinc/05/27/67/530052767.db2.gz FQRIFBZGAGLEPH-ZDUSSCGKSA-N 1 1 286.379 3.415 20 30 CGEDMO C[C@H]1COCC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000026452179 344906843 /nfs/dbraw/zinc/90/68/43/344906843.db2.gz NVXDYJARJUYMJE-HNNXBMFYSA-N 1 1 292.382 3.446 20 30 CGEDMO COc1ccc([C@H]2CCC[N@H+]2CCCC#N)cc1OC ZINC000045915168 345032020 /nfs/dbraw/zinc/03/20/20/345032020.db2.gz LAZCVCCTDXWSQM-CQSZACIVSA-N 1 1 274.364 3.144 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000046776358 345044038 /nfs/dbraw/zinc/04/40/38/345044038.db2.gz QRTYCYCBMJLWMG-UHFFFAOYSA-N 1 1 271.307 3.305 20 30 CGEDMO C=C(C)C[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000053134580 345115198 /nfs/dbraw/zinc/11/51/98/345115198.db2.gz LILYBXJCXJYUGY-CYBMUJFWSA-N 1 1 251.395 3.305 20 30 CGEDMO CCCCC[N@@H+](CC(=O)NC1(C#N)CCCCC1)C(C)C ZINC000051708971 345092207 /nfs/dbraw/zinc/09/22/07/345092207.db2.gz FKSYRJYRLHQKNI-UHFFFAOYSA-N 1 1 293.455 3.230 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1csc(Br)c1 ZINC000054183490 345129987 /nfs/dbraw/zinc/12/99/87/345129987.db2.gz GTIDIKDINNFOPL-SECBINFHSA-N 1 1 273.199 3.292 20 30 CGEDMO COc1ccc(OCC[N@H+](C)Cc2ccccc2C#N)cc1 ZINC000061784253 345234092 /nfs/dbraw/zinc/23/40/92/345234092.db2.gz URJCIELFSAZQNE-UHFFFAOYSA-N 1 1 296.370 3.078 20 30 CGEDMO COc1ccc(OCC[N@@H+](C)Cc2ccccc2C#N)cc1 ZINC000061784253 345234094 /nfs/dbraw/zinc/23/40/94/345234094.db2.gz URJCIELFSAZQNE-UHFFFAOYSA-N 1 1 296.370 3.078 20 30 CGEDMO CC[N@@H+](CCCC#N)[C@H](C)Cc1ccc(OC)cc1 ZINC000066884878 345309956 /nfs/dbraw/zinc/30/99/56/345309956.db2.gz OPTHQWOFZBOUAA-CQSZACIVSA-N 1 1 260.381 3.252 20 30 CGEDMO CC[N@H+]1CCC[C@@H](Nc2cc(C#N)c3ccccc3n2)C1 ZINC000068770170 345361584 /nfs/dbraw/zinc/36/15/84/345361584.db2.gz XOGQXJGPXKJJKN-CQSZACIVSA-N 1 1 280.375 3.003 20 30 CGEDMO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CCCCO1 ZINC000068827211 345365208 /nfs/dbraw/zinc/36/52/08/345365208.db2.gz XKLQFMFCAVUQRE-KRWDZBQOSA-N 1 1 270.376 3.115 20 30 CGEDMO C=CC[N@H+](Cc1cccc(C(N)=O)c1)CC1CCCCC1 ZINC000069860123 345386239 /nfs/dbraw/zinc/38/62/39/345386239.db2.gz GILMHKUSBVOXIP-UHFFFAOYSA-N 1 1 286.419 3.354 20 30 CGEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ccc(C#N)cn2)C1 ZINC000072945135 345424010 /nfs/dbraw/zinc/42/40/10/345424010.db2.gz XBOOWKSDVGUOQC-RDJZCZTQSA-N 1 1 298.434 3.044 20 30 CGEDMO CC[N@@H+](CCCSCC#N)Cc1cccc(F)c1 ZINC000074981346 345489191 /nfs/dbraw/zinc/48/91/91/345489191.db2.gz UQVWLTDXOCIMTD-UHFFFAOYSA-N 1 1 266.385 3.294 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)s1 ZINC000127409610 187303936 /nfs/dbraw/zinc/30/39/36/187303936.db2.gz VJECNCJQBPPCIV-CQSZACIVSA-N 1 1 257.362 3.285 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)s1 ZINC000127409610 187303937 /nfs/dbraw/zinc/30/39/37/187303937.db2.gz VJECNCJQBPPCIV-CQSZACIVSA-N 1 1 257.362 3.285 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCOCC1CC1 ZINC000076153727 345535533 /nfs/dbraw/zinc/53/55/33/345535533.db2.gz GFMDSZZTNOQLAK-QZTJIDSGSA-N 1 1 284.403 3.185 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCOCC1CC1 ZINC000076153727 345535539 /nfs/dbraw/zinc/53/55/39/345535539.db2.gz GFMDSZZTNOQLAK-QZTJIDSGSA-N 1 1 284.403 3.185 20 30 CGEDMO C[N@H+](CCCC(=O)OC(C)(C)C)Cc1ccccc1C#N ZINC000076415685 345542609 /nfs/dbraw/zinc/54/26/09/345542609.db2.gz YDEXKIAIWACKKY-UHFFFAOYSA-N 1 1 288.391 3.112 20 30 CGEDMO C[N@@H+](CCCC(=O)OC(C)(C)C)Cc1ccccc1C#N ZINC000076415685 345542613 /nfs/dbraw/zinc/54/26/13/345542613.db2.gz YDEXKIAIWACKKY-UHFFFAOYSA-N 1 1 288.391 3.112 20 30 CGEDMO N#CCSCCC[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000080629715 345680885 /nfs/dbraw/zinc/68/08/85/345680885.db2.gz AMQUGLZVPGEWGY-IAGOWNOFSA-N 1 1 299.443 3.405 20 30 CGEDMO Cc1cccc2c1ncc(C#N)c2NC[C@H]1CCC[N@H+](C)C1 ZINC000091483103 345816348 /nfs/dbraw/zinc/81/63/48/345816348.db2.gz LHHUISPQGLRWKY-CQSZACIVSA-N 1 1 294.402 3.169 20 30 CGEDMO N#Cc1ccc(Cl)cc1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000091480198 345816578 /nfs/dbraw/zinc/81/65/78/345816578.db2.gz ICQIEGWCEKZOMX-LBPRGKRZSA-N 1 1 286.766 3.319 20 30 CGEDMO C[C@H]1C[C@@H](Nc2cnccc2C#N)C[N@H+]1Cc1ccccc1 ZINC000091739544 345822519 /nfs/dbraw/zinc/82/25/19/345822519.db2.gz AJLBJNXJPVUQTC-WMLDXEAASA-N 1 1 292.386 3.028 20 30 CGEDMO CC[C@@H](CSC)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000091099375 345803847 /nfs/dbraw/zinc/80/38/47/345803847.db2.gz INYQVKHHTKOSDI-HNNXBMFYSA-N 1 1 265.397 3.251 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC1=CCCOC1 ZINC000093872439 345891767 /nfs/dbraw/zinc/89/17/67/345891767.db2.gz UCDWCSCQKYYWLP-ROUUACIJSA-N 1 1 282.387 3.105 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC1=CCCOC1 ZINC000093872439 345891769 /nfs/dbraw/zinc/89/17/69/345891769.db2.gz UCDWCSCQKYYWLP-ROUUACIJSA-N 1 1 282.387 3.105 20 30 CGEDMO CCCCCCCC(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000141729103 346109299 /nfs/dbraw/zinc/10/92/99/346109299.db2.gz HYWCMFDCNIPKKK-OAHLLOKOSA-N 1 1 266.429 3.044 20 30 CGEDMO CCC(CC)[N@@H+](CC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000165337338 346184071 /nfs/dbraw/zinc/18/40/71/346184071.db2.gz AXTZFBKQYSCWAW-UHFFFAOYSA-N 1 1 285.391 3.150 20 30 CGEDMO C[C@@]1(c2ccccc2)CCC[N@@H+](CC2(C#N)CC2)C1 ZINC000343313436 346506016 /nfs/dbraw/zinc/50/60/16/346506016.db2.gz HZXAQBXLHXNYDW-MRXNPFEDSA-N 1 1 254.377 3.344 20 30 CGEDMO N#CC1(C[NH2+]Cc2cccc3c2OCCCO3)CCCC1 ZINC000593650238 347099047 /nfs/dbraw/zinc/09/90/47/347099047.db2.gz QUDCKHMPVSZHGM-UHFFFAOYSA-N 1 1 286.375 3.021 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccccc2OC(F)F)CCCC1 ZINC000593650674 347099169 /nfs/dbraw/zinc/09/91/69/347099169.db2.gz YCSBYHQONHDILG-UHFFFAOYSA-N 1 1 280.318 3.462 20 30 CGEDMO CC[C@H](C)C[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000337179877 346498901 /nfs/dbraw/zinc/49/89/01/346498901.db2.gz LVDUNMJFCSMJPO-AWEZNQCLSA-N 1 1 252.402 3.065 20 30 CGEDMO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NCC2(C#N)CCCC2)C1 ZINC000593653752 347099956 /nfs/dbraw/zinc/09/99/56/347099956.db2.gz WNCKRMXGWMWJNL-AEFFLSMTSA-N 1 1 297.446 3.495 20 30 CGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NCC2(C#N)CCCC2)C1 ZINC000593653752 347099959 /nfs/dbraw/zinc/09/99/59/347099959.db2.gz WNCKRMXGWMWJNL-AEFFLSMTSA-N 1 1 297.446 3.495 20 30 CGEDMO Clc1ccccc1C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000560182136 346658538 /nfs/dbraw/zinc/65/85/38/346658538.db2.gz GRTNQEOJAVWQJZ-SJORKVTESA-N 1 1 289.806 3.335 20 30 CGEDMO Clc1ccccc1C#CC[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000560182136 346658542 /nfs/dbraw/zinc/65/85/42/346658542.db2.gz GRTNQEOJAVWQJZ-SJORKVTESA-N 1 1 289.806 3.335 20 30 CGEDMO CCCC[N@@H+](CC)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000584843377 346718065 /nfs/dbraw/zinc/71/80/65/346718065.db2.gz PUYKSGWIXCEGMN-UHFFFAOYSA-N 1 1 261.325 3.088 20 30 CGEDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)CCCCCC#N ZINC000588300127 346759056 /nfs/dbraw/zinc/75/90/56/346759056.db2.gz WQMWQYKVQLVARB-UHFFFAOYSA-N 1 1 293.455 3.183 20 30 CGEDMO CCC(CC)C[N@H+](CCC#N)Cc1c(C)n[nH]c1C ZINC000119178408 370651345 /nfs/dbraw/zinc/65/13/45/370651345.db2.gz HJIGLQXFUPOCAP-UHFFFAOYSA-N 1 1 262.401 3.178 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)Cc1c(C)n[nH]c1C ZINC000119178408 370651350 /nfs/dbraw/zinc/65/13/50/370651350.db2.gz HJIGLQXFUPOCAP-UHFFFAOYSA-N 1 1 262.401 3.178 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ncccc1O ZINC000589158374 346785689 /nfs/dbraw/zinc/78/56/89/346785689.db2.gz KYWUHBMCBRRQFB-UHFFFAOYSA-N 1 1 281.359 3.071 20 30 CGEDMO CCc1nnc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)s1 ZINC000589350888 346794890 /nfs/dbraw/zinc/79/48/90/346794890.db2.gz YNCQZUUKZLBQCP-AWEZNQCLSA-N 1 1 298.415 3.139 20 30 CGEDMO Cc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000593955235 347123257 /nfs/dbraw/zinc/12/32/57/347123257.db2.gz PMSYNNHLXSXICT-MRXNPFEDSA-N 1 1 277.371 3.251 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CC2CCCC2)nc1 ZINC000594053368 347145614 /nfs/dbraw/zinc/14/56/14/347145614.db2.gz OVRXQHZDWCMPBB-QGZVFWFLSA-N 1 1 269.392 3.498 20 30 CGEDMO CC(C)N1CCC([NH2+]C2(c3ccc(C#N)cc3)CCC2)CC1 ZINC000594517501 347187533 /nfs/dbraw/zinc/18/75/33/347187533.db2.gz VYZZWCXMOQQPQJ-UHFFFAOYSA-N 1 1 297.446 3.400 20 30 CGEDMO CC(C)[NH+]1CCC(NC2(c3ccc(C#N)cc3)CCC2)CC1 ZINC000594517501 347187535 /nfs/dbraw/zinc/18/75/35/347187535.db2.gz VYZZWCXMOQQPQJ-UHFFFAOYSA-N 1 1 297.446 3.400 20 30 CGEDMO CC[NH+](CC)C[C@@H](C)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594919635 347229637 /nfs/dbraw/zinc/22/96/37/347229637.db2.gz IDDYTXXOFSEGHN-OAHLLOKOSA-N 1 1 285.435 3.062 20 30 CGEDMO CCn1ccnc1[C@H](C)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594960915 347242238 /nfs/dbraw/zinc/24/22/38/347242238.db2.gz TZABPKGKMYICNZ-AWEZNQCLSA-N 1 1 294.402 3.309 20 30 CGEDMO CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594960916 347242271 /nfs/dbraw/zinc/24/22/71/347242271.db2.gz TZABPKGKMYICNZ-CQSZACIVSA-N 1 1 294.402 3.309 20 30 CGEDMO CC(C)([NH2+]Cc1nccn1C(F)F)c1cccc(C#N)c1 ZINC000594968664 347245719 /nfs/dbraw/zinc/24/57/19/347245719.db2.gz MRGHOXVRZGAWIF-UHFFFAOYSA-N 1 1 290.317 3.175 20 30 CGEDMO Cc1nn(C(C)C)cc1C[NH2+]CC1(C#N)CCCCC1 ZINC000594982128 347248747 /nfs/dbraw/zinc/24/87/47/347248747.db2.gz ZPNUAKCOVSSKEM-UHFFFAOYSA-N 1 1 274.412 3.336 20 30 CGEDMO CC[N@@H+](CCO[C@H]1CC1(F)F)[C@@H](C)c1ccc(C#N)cc1 ZINC000595294637 347288349 /nfs/dbraw/zinc/28/83/49/347288349.db2.gz AEKNGZIIGFRIFF-WFASDCNBSA-N 1 1 294.345 3.365 20 30 CGEDMO N#Cc1ccc(CCN2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000595330117 347292829 /nfs/dbraw/zinc/29/28/29/347292829.db2.gz ZFWUXOVXMXIUDD-IBGZPJMESA-N 1 1 297.446 3.051 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1 ZINC000595418567 347300121 /nfs/dbraw/zinc/30/01/21/347300121.db2.gz CUMJTRKDVQWZOL-OALUTQOASA-N 1 1 298.430 3.239 20 30 CGEDMO COc1cc(C[NH2+][C@@H](CCC#N)c2ccccc2)sn1 ZINC000595418971 347300396 /nfs/dbraw/zinc/30/03/96/347300396.db2.gz HCGFKLYEXKZCJT-AWEZNQCLSA-N 1 1 287.388 3.286 20 30 CGEDMO CC[C@@H](C)[N@@H+](CC)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000595598528 347323461 /nfs/dbraw/zinc/32/34/61/347323461.db2.gz FXNRVUPNXSJDNG-PBHICJAKSA-N 1 1 299.418 3.174 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](CCCOCCc2ccccc2)C1 ZINC000595611648 347326213 /nfs/dbraw/zinc/32/62/13/347326213.db2.gz MOMDNEKNLWVYMJ-SFHVURJKSA-N 1 1 286.419 3.261 20 30 CGEDMO CO[C@H](C[N@H+]1CCC[C@H](CC#N)C1)C1CCCCC1 ZINC000595613727 347327107 /nfs/dbraw/zinc/32/71/07/347327107.db2.gz AKMIWVLVYFKOCM-GDBMZVCRSA-N 1 1 264.413 3.207 20 30 CGEDMO COc1cccc(SCC[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595614505 347327481 /nfs/dbraw/zinc/32/74/81/347327481.db2.gz DBWRGCHKAFJIED-AWEZNQCLSA-N 1 1 290.432 3.413 20 30 CGEDMO CC(C)(C)Oc1cccc(C[N@@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595619954 347328473 /nfs/dbraw/zinc/32/84/73/347328473.db2.gz HXIUONAMDZAVIO-AWEZNQCLSA-N 1 1 287.407 3.385 20 30 CGEDMO CC(C)(C)Oc1cccc(C[N@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595619954 347328476 /nfs/dbraw/zinc/32/84/76/347328476.db2.gz HXIUONAMDZAVIO-AWEZNQCLSA-N 1 1 287.407 3.385 20 30 CGEDMO COc1ccc([C@H](C)C[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000595623946 347329800 /nfs/dbraw/zinc/32/98/00/347329800.db2.gz ZKUSGADEHPZLRZ-CABCVRRESA-N 1 1 272.392 3.424 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000595658462 347334040 /nfs/dbraw/zinc/33/40/40/347334040.db2.gz JLXIOVQGOFQTDR-CYBMUJFWSA-N 1 1 290.363 3.392 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000595661055 347335235 /nfs/dbraw/zinc/33/52/35/347335235.db2.gz XAARDUGRZMWBMH-LSDHHAIUSA-N 1 1 297.402 3.173 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H](CCF)C1 ZINC000595755559 347350459 /nfs/dbraw/zinc/35/04/59/347350459.db2.gz OBDLTZAOQBHMEL-ZDUSSCGKSA-N 1 1 276.355 3.138 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](CCF)C2)c1 ZINC000595755682 347351136 /nfs/dbraw/zinc/35/11/36/347351136.db2.gz OIYXWDDGHZYMRF-LBPRGKRZSA-N 1 1 264.319 3.269 20 30 CGEDMO COc1ccc2c(c1)CC[N@@H+](Cc1cccc(C#N)c1)C2 ZINC000595758826 347351362 /nfs/dbraw/zinc/35/13/62/347351362.db2.gz HYVMLPJFMQJSJR-UHFFFAOYSA-N 1 1 278.355 3.125 20 30 CGEDMO COc1ccc2c(c1)CC[N@H+](Cc1cccc(C#N)c1)C2 ZINC000595758826 347351366 /nfs/dbraw/zinc/35/13/66/347351366.db2.gz HYVMLPJFMQJSJR-UHFFFAOYSA-N 1 1 278.355 3.125 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@H](CCF)C2)ccc1F ZINC000595755890 347351582 /nfs/dbraw/zinc/35/15/82/347351582.db2.gz QTXAOPSPFKZTNT-GFCCVEGCSA-N 1 1 264.319 3.269 20 30 CGEDMO CC[C@@H]1CC[C@@H](C)[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000595783390 347355052 /nfs/dbraw/zinc/35/50/52/347355052.db2.gz NRXMDPYAFLREBT-CHWSQXEVSA-N 1 1 287.363 3.477 20 30 CGEDMO CC[C@@H]1CC[C@@H](C)[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000595783390 347355056 /nfs/dbraw/zinc/35/50/56/347355056.db2.gz NRXMDPYAFLREBT-CHWSQXEVSA-N 1 1 287.363 3.477 20 30 CGEDMO CO[C@H](C[N@H+]1CCC[C@](C)(C#N)C1)C1CCCCC1 ZINC000595426641 347301789 /nfs/dbraw/zinc/30/17/89/347301789.db2.gz PCADIPDWBGGCLN-HZPDHXFCSA-N 1 1 264.413 3.207 20 30 CGEDMO CC(C)[C@@H]1CN([C@H](C#N)c2ccc(Cl)cc2)CC[N@H+]1C ZINC000595463038 347307917 /nfs/dbraw/zinc/30/79/17/347307917.db2.gz YJPGXAQCOLOZSG-CVEARBPZSA-N 1 1 291.826 3.177 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCC[C@H](C3CC3)C2)cc1 ZINC000595498357 347312491 /nfs/dbraw/zinc/31/24/91/347312491.db2.gz RTDPDNICVAJLRH-KRWDZBQOSA-N 1 1 254.377 3.223 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3C[C@H]3C2)c(Br)c1 ZINC000595809118 347357482 /nfs/dbraw/zinc/35/74/82/347357482.db2.gz GLJQYRDPSCQSHG-AAEUAGOBSA-N 1 1 291.192 3.163 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CC[C@@H](C3CCC3)C2)cc1 ZINC000595541321 347317320 /nfs/dbraw/zinc/31/73/20/347317320.db2.gz KIFXAFTXAYYBHV-QGZVFWFLSA-N 1 1 254.377 3.223 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@H+](C[C@@H]1CC[C@@H]3C[C@@H]3C1)C2 ZINC000595559051 347319054 /nfs/dbraw/zinc/31/90/54/347319054.db2.gz CXOVWVGMJCFBIX-FMKPAKJESA-N 1 1 252.361 3.310 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@H]1COc1ccc(C#N)cc1F ZINC000596266739 347407711 /nfs/dbraw/zinc/40/77/11/347407711.db2.gz VABMGIOTNMDQBD-AWEZNQCLSA-N 1 1 276.355 3.339 20 30 CGEDMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1nc2c(cc1C#N)CCCC2 ZINC000596305887 347413885 /nfs/dbraw/zinc/41/38/85/347413885.db2.gz CAJLFIAZAZIEAQ-OAHLLOKOSA-N 1 1 298.434 3.117 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](CCOc2ccc3ccccc3c2)C1 ZINC000595834750 347363886 /nfs/dbraw/zinc/36/38/86/347363886.db2.gz LRFXKWDFSYWSAD-GOSISDBHSA-N 1 1 280.371 3.454 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](CCOc2ccc3ccccc3c2)C1 ZINC000595834750 347363890 /nfs/dbraw/zinc/36/38/90/347363890.db2.gz LRFXKWDFSYWSAD-GOSISDBHSA-N 1 1 280.371 3.454 20 30 CGEDMO N#Cc1ccc(F)c(C[NH+]2CCC(c3ccon3)CC2)c1 ZINC000595839554 347364696 /nfs/dbraw/zinc/36/46/96/347364696.db2.gz ZRAXZAAHTNZVNQ-UHFFFAOYSA-N 1 1 285.322 3.065 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000595841649 347365168 /nfs/dbraw/zinc/36/51/68/347365168.db2.gz NMGYRSCWFLOWLC-WBVHZDCISA-N 1 1 254.377 3.342 20 30 CGEDMO C[N@H+](Cc1ccnc(C#N)c1)C[C@H]1CCc2ccccc21 ZINC000595881507 347369801 /nfs/dbraw/zinc/36/98/01/347369801.db2.gz SSOKDUCIQAFNOJ-MRXNPFEDSA-N 1 1 277.371 3.115 20 30 CGEDMO C[N@H+](Cc1ccncc1C#N)C[C@@H]1CCc2ccccc21 ZINC000595880723 347370260 /nfs/dbraw/zinc/37/02/60/347370260.db2.gz OBWOSYUDHAVXOE-INIZCTEOSA-N 1 1 277.371 3.115 20 30 CGEDMO C[C@@H]1C[N@H+](CCCC(C)(C)C#N)C[C@H](CC(F)(F)F)O1 ZINC000595887616 347370270 /nfs/dbraw/zinc/37/02/70/347370270.db2.gz AARRFDRSETWVIO-NEPJUHHUSA-N 1 1 292.345 3.358 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCC(C)(C)C#N)C[C@H](CC(F)(F)F)O1 ZINC000595887616 347370273 /nfs/dbraw/zinc/37/02/73/347370273.db2.gz AARRFDRSETWVIO-NEPJUHHUSA-N 1 1 292.345 3.358 20 30 CGEDMO N#Cc1c(F)cccc1NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596570403 347480972 /nfs/dbraw/zinc/48/09/72/347480972.db2.gz KDNXCZCOTXXNJA-AWEZNQCLSA-N 1 1 287.382 3.231 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000597174328 347544506 /nfs/dbraw/zinc/54/45/06/347544506.db2.gz OWCJXBABRFCJKI-ZDUSSCGKSA-N 1 1 298.415 3.331 20 30 CGEDMO CCCCC[N@@H+](CCO)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596983202 347524564 /nfs/dbraw/zinc/52/45/64/347524564.db2.gz QFLHBVARVKFDIC-UHFFFAOYSA-N 1 1 286.419 3.226 20 30 CGEDMO CO[C@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CC[C@H]1C ZINC000597110710 347535889 /nfs/dbraw/zinc/53/58/89/347535889.db2.gz KIYUHUVBXLOLDD-PBHICJAKSA-N 1 1 284.403 3.099 20 30 CGEDMO COC[C@H](C)Oc1ccc(C[N@H+](C)CC(C)(C)C#N)cc1 ZINC000597135173 347538918 /nfs/dbraw/zinc/53/89/18/347538918.db2.gz HVLLOZKFVCTMJN-AWEZNQCLSA-N 1 1 290.407 3.082 20 30 CGEDMO COC[C@H](C)Oc1ccc(C[N@@H+](C)CC(C)(C)C#N)cc1 ZINC000597135173 347538921 /nfs/dbraw/zinc/53/89/21/347538921.db2.gz HVLLOZKFVCTMJN-AWEZNQCLSA-N 1 1 290.407 3.082 20 30 CGEDMO CC[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)[C@@H](C)CO1 ZINC000597159354 347542677 /nfs/dbraw/zinc/54/26/77/347542677.db2.gz YZRURCGWNVFABT-WMLDXEAASA-N 1 1 284.403 3.241 20 30 CGEDMO CCOc1cc(C[NH2+]CC2(C#N)CCCCC2)ccc1O ZINC000597226685 347557293 /nfs/dbraw/zinc/55/72/93/347557293.db2.gz VWJSATIRPQSVPK-UHFFFAOYSA-N 1 1 288.391 3.355 20 30 CGEDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@@H](C)CC#N)c2C1 ZINC000597414902 347573512 /nfs/dbraw/zinc/57/35/12/347573512.db2.gz SIGFEXAIQKYTHA-ZDUSSCGKSA-N 1 1 285.391 3.146 20 30 CGEDMO Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598586669 347666675 /nfs/dbraw/zinc/66/66/75/347666675.db2.gz WBPWOTGOKZUBHE-HUUCEWRRSA-N 1 1 274.408 3.289 20 30 CGEDMO C[C@H](c1cc(F)ccc1F)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598585517 347666980 /nfs/dbraw/zinc/66/69/80/347666980.db2.gz FPNOBYJIGVHAEG-YPMHNXCESA-N 1 1 296.361 3.258 20 30 CGEDMO CC[N@H+](Cc1ccc(C)cc1)C[C@@H](O)CC(C)(C)C#N ZINC000598586003 347667063 /nfs/dbraw/zinc/66/70/63/347667063.db2.gz BWWQZLSODROGLW-INIZCTEOSA-N 1 1 274.408 3.118 20 30 CGEDMO C[C@@H](c1ccco1)[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1CC1 ZINC000598598417 347669051 /nfs/dbraw/zinc/66/90/51/347669051.db2.gz RKJYKEZPOHLYKE-JSGCOSHPSA-N 1 1 276.380 3.106 20 30 CGEDMO CC(C)(C)C[C@H]1CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598619101 347672326 /nfs/dbraw/zinc/67/23/26/347672326.db2.gz AMLVVJYVTNNDPW-KGLIPLIRSA-N 1 1 266.429 3.045 20 30 CGEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCCC3(CC3)CC2)c1 ZINC000599673525 347763885 /nfs/dbraw/zinc/76/38/85/347763885.db2.gz SBCCKINKPDUYGR-UHFFFAOYSA-N 1 1 297.402 3.153 20 30 CGEDMO C[C@]12CCCC[C@H]1C[N@H+]2CCOc1cccc(C#N)c1 ZINC000599676126 347764244 /nfs/dbraw/zinc/76/42/44/347764244.db2.gz YXAZBJTWNKFYNV-RDJZCZTQSA-N 1 1 270.376 3.202 20 30 CGEDMO N#CCc1cccc2c1CC[N@H+](CCCCCF)C2 ZINC000599679307 347764698 /nfs/dbraw/zinc/76/46/98/347764698.db2.gz YAYMFLGONBRHCT-UHFFFAOYSA-N 1 1 260.356 3.251 20 30 CGEDMO Cc1ccc(C[N@H+](Cc2ccccc2)C[C@H](C)O)cc1C#N ZINC000599298876 347733170 /nfs/dbraw/zinc/73/31/70/347733170.db2.gz AGPMCLRZOAVKJZ-INIZCTEOSA-N 1 1 294.398 3.250 20 30 CGEDMO CC[C@H](CSC)[N@@H+](C)Cc1ccc(C)c(C#N)c1 ZINC000599345379 347737338 /nfs/dbraw/zinc/73/73/38/347737338.db2.gz PMNNDQFOLQQJFX-OAHLLOKOSA-N 1 1 262.422 3.440 20 30 CGEDMO CCn1ccc(C[N@@H+](C)Cc2ccc(C)c(C#N)c2)c1 ZINC000599392622 347741520 /nfs/dbraw/zinc/74/15/20/347741520.db2.gz XQVMDZQWJQBZDX-UHFFFAOYSA-N 1 1 267.376 3.320 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)cc1C#N ZINC000599449958 347746283 /nfs/dbraw/zinc/74/62/83/347746283.db2.gz IAUBYSFNBNWBDW-SJLPKXTDSA-N 1 1 284.403 3.258 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCC(F)(F)CC2)cc1F ZINC000599552974 347753710 /nfs/dbraw/zinc/75/37/10/347753710.db2.gz OSVYZWWKULEGPM-UHFFFAOYSA-N 1 1 268.282 3.319 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+]Cc1ccccc1CC(F)(F)F ZINC000600613725 347814400 /nfs/dbraw/zinc/81/44/00/347814400.db2.gz AHTOGMOJQUMMBU-GFCCVEGCSA-N 1 1 295.308 3.325 20 30 CGEDMO C[C@]1(C#N)CCC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000600144824 347784638 /nfs/dbraw/zinc/78/46/38/347784638.db2.gz OCDBIWQBELNPJW-MRXNPFEDSA-N 1 1 253.349 3.294 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000600144824 347784640 /nfs/dbraw/zinc/78/46/40/347784640.db2.gz OCDBIWQBELNPJW-MRXNPFEDSA-N 1 1 253.349 3.294 20 30 CGEDMO Cc1cc(C)c(COc2ccc(C#N)cc2)c(C)[nH+]1 ZINC000601071420 347862585 /nfs/dbraw/zinc/86/25/85/347862585.db2.gz XXCDNUUXPGTDMP-UHFFFAOYSA-N 1 1 252.317 3.458 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)Cc1ccns1 ZINC000602440448 347958001 /nfs/dbraw/zinc/95/80/01/347958001.db2.gz UBFORWOVLUGUBN-NSHDSACASA-N 1 1 257.362 3.208 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1ccns1 ZINC000602440448 347958002 /nfs/dbraw/zinc/95/80/02/347958002.db2.gz UBFORWOVLUGUBN-NSHDSACASA-N 1 1 257.362 3.208 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000602439661 347958247 /nfs/dbraw/zinc/95/82/47/347958247.db2.gz PLXKZVPVUSLPCA-LBPRGKRZSA-N 1 1 293.798 3.150 20 30 CGEDMO CCC[N@@H+](CCC[C@H]1CCO1)Cc1ccc(C#N)cc1 ZINC000602444144 347959115 /nfs/dbraw/zinc/95/91/15/347959115.db2.gz MMCQZPBQCRCICZ-KRWDZBQOSA-N 1 1 272.392 3.339 20 30 CGEDMO C[N@H+](Cc1ccnn1CC1CCC1)Cc1cccc(C#N)c1 ZINC000602441586 347959349 /nfs/dbraw/zinc/95/93/49/347959349.db2.gz RBJXSMOBKRIUPV-UHFFFAOYSA-N 1 1 294.402 3.187 20 30 CGEDMO C[N@@H+](Cc1ccnn1CC1CCC1)Cc1cccc(C#N)c1 ZINC000602441586 347959351 /nfs/dbraw/zinc/95/93/51/347959351.db2.gz RBJXSMOBKRIUPV-UHFFFAOYSA-N 1 1 294.402 3.187 20 30 CGEDMO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602458854 347961030 /nfs/dbraw/zinc/96/10/30/347961030.db2.gz QMTKTTFZKWFAKI-KRWDZBQOSA-N 1 1 293.370 3.299 20 30 CGEDMO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602458854 347961034 /nfs/dbraw/zinc/96/10/34/347961034.db2.gz QMTKTTFZKWFAKI-KRWDZBQOSA-N 1 1 293.370 3.299 20 30 CGEDMO N#CCC[N@@H+](CC1CC1)C[C@@H]1CCN(c2ccccc2)C1 ZINC000602464497 347961818 /nfs/dbraw/zinc/96/18/18/347961818.db2.gz YKBFSMJKOORQJN-KRWDZBQOSA-N 1 1 283.419 3.139 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000602461065 347962199 /nfs/dbraw/zinc/96/21/99/347962199.db2.gz XASOGWHVSJKBGH-DOTOQJQBSA-N 1 1 272.392 3.390 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000602467921 347963044 /nfs/dbraw/zinc/96/30/44/347963044.db2.gz LAWGDOIUTZNECL-KGLIPLIRSA-N 1 1 260.381 3.195 20 30 CGEDMO N#Cc1cccc(C[N@H+](CCc2ccc(F)cc2)C2CC2)n1 ZINC000602468863 347963826 /nfs/dbraw/zinc/96/38/26/347963826.db2.gz NVHHZLHMCPVKDO-UHFFFAOYSA-N 1 1 295.361 3.299 20 30 CGEDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cccc(C#N)n1 ZINC000602473712 347964063 /nfs/dbraw/zinc/96/40/63/347964063.db2.gz ORIKFKGEYHZPKH-XJKCOSOUSA-N 1 1 255.365 3.106 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000602470998 347964341 /nfs/dbraw/zinc/96/43/41/347964341.db2.gz AUVDKJPNUVOLNZ-WBVHZDCISA-N 1 1 299.418 3.054 20 30 CGEDMO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1cccc(C#N)n1 ZINC000602510139 347973045 /nfs/dbraw/zinc/97/30/45/347973045.db2.gz DETPCKVWEPTWLQ-CYBMUJFWSA-N 1 1 281.359 3.121 20 30 CGEDMO N#Cc1cccc(C[NH2+][C@H]2CCSc3c(F)cccc32)n1 ZINC000602512151 347973439 /nfs/dbraw/zinc/97/34/39/347973439.db2.gz QSICHDFTNIHLTJ-HNNXBMFYSA-N 1 1 299.374 3.419 20 30 CGEDMO C[N@@H+](CC1(CC#N)CC1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000602777663 348027539 /nfs/dbraw/zinc/02/75/39/348027539.db2.gz JRCDXQJSFQVGFV-QGZVFWFLSA-N 1 1 283.419 3.281 20 30 CGEDMO CC(C)C[C@H]([NH2+]C[C@@H](C)CCC#N)C(=O)OC(C)(C)C ZINC000602589301 347989595 /nfs/dbraw/zinc/98/95/95/347989595.db2.gz TXNFVSUAOLETTG-KBPBESRZSA-N 1 1 282.428 3.272 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1Cc2ccccc2OC[C@H]1C ZINC000602598716 347991208 /nfs/dbraw/zinc/99/12/08/347991208.db2.gz DUNHYCMEYMTNTC-UONOGXRCSA-N 1 1 258.365 3.209 20 30 CGEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CC2(CC#N)CC2)C1 ZINC000602783999 348028007 /nfs/dbraw/zinc/02/80/07/348028007.db2.gz GHQUKZMUEFVBMP-IRXDYDNUSA-N 1 1 289.467 3.267 20 30 CGEDMO C[C@@]1(c2ccc(F)cc2)CC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602642060 347999258 /nfs/dbraw/zinc/99/92/58/347999258.db2.gz HNHFJCDAGHEORI-GOSISDBHSA-N 1 1 295.361 3.256 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)n1)C(C)(C)c1ccccc1 ZINC000602656831 348002170 /nfs/dbraw/zinc/00/21/70/348002170.db2.gz YPNTWOHVZCDDKQ-UHFFFAOYSA-N 1 1 265.360 3.320 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000602669584 348005050 /nfs/dbraw/zinc/00/50/50/348005050.db2.gz KGWOFJMGKDVAEI-ZFWWWQNUSA-N 1 1 257.381 3.404 20 30 CGEDMO C[C@@H](CCC#N)CN1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000602668569 348005070 /nfs/dbraw/zinc/00/50/70/348005070.db2.gz CUEVDHBLLXAZPA-RDJZCZTQSA-N 1 1 283.419 3.411 20 30 CGEDMO CCC[C@H](C[N@@H+](C)[C@H](C)c1cccc(C#N)c1)OC ZINC000602691376 348009972 /nfs/dbraw/zinc/00/99/72/348009972.db2.gz DVGAQUOUJYRLBE-CZUORRHYSA-N 1 1 260.381 3.366 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)[C@@H](c1nccn1C)C1CC1 ZINC000602694265 348010657 /nfs/dbraw/zinc/01/06/57/348010657.db2.gz YPLUWIKZOWLVOV-CXAGYDPISA-N 1 1 294.402 3.436 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)[C@@H](c1nccn1C)C1CC1 ZINC000602694265 348010661 /nfs/dbraw/zinc/01/06/61/348010661.db2.gz YPLUWIKZOWLVOV-CXAGYDPISA-N 1 1 294.402 3.436 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000602719166 348016596 /nfs/dbraw/zinc/01/65/96/348016596.db2.gz UMOAFWKDXNFYDJ-GDBMZVCRSA-N 1 1 258.365 3.080 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000602720400 348017175 /nfs/dbraw/zinc/01/71/75/348017175.db2.gz ZOWQILLNJRYEBV-ZBFHGGJFSA-N 1 1 288.391 3.373 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@H](c2ccc(O)cc2)C1 ZINC000602730010 348020000 /nfs/dbraw/zinc/02/00/00/348020000.db2.gz MKXJWHLKVLLHRX-ZFWWWQNUSA-N 1 1 258.365 3.121 20 30 CGEDMO C[C@H](C[N@@H+](C)Cc1nc(C#N)cs1)C(C)(C)C ZINC000602757363 348024130 /nfs/dbraw/zinc/02/41/30/348024130.db2.gz IBAXLWAGYHUDCP-SNVBAGLBSA-N 1 1 251.399 3.129 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)CC1(CC#N)CC1 ZINC000602762483 348024312 /nfs/dbraw/zinc/02/43/12/348024312.db2.gz JMLHCRVMSUHQKL-UHFFFAOYSA-N 1 1 267.376 3.464 20 30 CGEDMO COc1ccccc1C[C@H]1CCC[N@H+]1CC1(CC#N)CC1 ZINC000602765343 348025377 /nfs/dbraw/zinc/02/53/77/348025377.db2.gz JZLYUJUHLDMIHX-MRXNPFEDSA-N 1 1 284.403 3.396 20 30 CGEDMO CC[N@@H+](CC1(CC#N)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000602805602 348031290 /nfs/dbraw/zinc/03/12/90/348031290.db2.gz BSIMQSQSYFQCND-SFHVURJKSA-N 1 1 297.446 3.277 20 30 CGEDMO CCN(CC1(CC#N)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000602805602 348031292 /nfs/dbraw/zinc/03/12/92/348031292.db2.gz BSIMQSQSYFQCND-SFHVURJKSA-N 1 1 297.446 3.277 20 30 CGEDMO CCN(CC1(CC#N)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000602805602 348031295 /nfs/dbraw/zinc/03/12/95/348031295.db2.gz BSIMQSQSYFQCND-SFHVURJKSA-N 1 1 297.446 3.277 20 30 CGEDMO N#CCCCC[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602890076 348041171 /nfs/dbraw/zinc/04/11/71/348041171.db2.gz YNOHVJINHJDATI-HNNXBMFYSA-N 1 1 280.375 3.113 20 30 CGEDMO C[N@@H+](CCCOCCc1ccccc1)[C@@H]1CCC[C@@H]1C#N ZINC000602977169 348049448 /nfs/dbraw/zinc/04/94/48/348049448.db2.gz YUEPNUARKWOJAT-QZTJIDSGSA-N 1 1 286.419 3.260 20 30 CGEDMO COc1ccc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1Cl ZINC000602979178 348050024 /nfs/dbraw/zinc/05/00/24/348050024.db2.gz ARASORZOOLUJOF-TZMCWYRMSA-N 1 1 278.783 3.473 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1Cl ZINC000602979178 348050027 /nfs/dbraw/zinc/05/00/27/348050027.db2.gz ARASORZOOLUJOF-TZMCWYRMSA-N 1 1 278.783 3.473 20 30 CGEDMO C[N@@H+](CCCCC(=O)OC(C)(C)C)[C@@H]1CCC[C@@H]1C#N ZINC000602979477 348050047 /nfs/dbraw/zinc/05/00/47/348050047.db2.gz DSNIDBMOFNERJM-ZIAGYGMSSA-N 1 1 280.412 3.122 20 30 CGEDMO C[N@H+](CCc1cccc(F)c1F)[C@H]1CCC[C@@H]1C#N ZINC000602979637 348050361 /nfs/dbraw/zinc/05/03/61/348050361.db2.gz GPGXPXFWAAZGJY-OCCSQVGLSA-N 1 1 264.319 3.131 20 30 CGEDMO C[N@@H+](CCc1cccc(F)c1F)[C@H]1CCC[C@@H]1C#N ZINC000602979637 348050363 /nfs/dbraw/zinc/05/03/63/348050363.db2.gz GPGXPXFWAAZGJY-OCCSQVGLSA-N 1 1 264.319 3.131 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CN(CC)c2ccccc2O1 ZINC000605149693 348148742 /nfs/dbraw/zinc/14/87/42/348148742.db2.gz TUMHAGPQBDDLFV-HNNXBMFYSA-N 1 1 274.408 3.172 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@H]1[C@@H](C)CC ZINC000606434330 348182435 /nfs/dbraw/zinc/18/24/35/348182435.db2.gz UTTCQNAJRJNJKE-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C[C@@H](Nc1[nH+]cnc2[nH]ccc21)c1cccc(C#N)c1 ZINC000610340190 348375811 /nfs/dbraw/zinc/37/58/11/348375811.db2.gz AJYLSJJOCXNCMW-SNVBAGLBSA-N 1 1 263.304 3.003 20 30 CGEDMO CC(C)C[C@H]1CCC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000610994183 348416587 /nfs/dbraw/zinc/41/65/87/348416587.db2.gz PDYDJJDULASPFM-CQSZACIVSA-N 1 1 257.381 3.211 20 30 CGEDMO CO[C@@H](C[NH2+]C[C@H](C#N)CCC#N)c1ccccc1Cl ZINC000610783482 348403223 /nfs/dbraw/zinc/40/32/23/348403223.db2.gz YSGOFPHVAXBGRZ-WFASDCNBSA-N 1 1 291.782 3.061 20 30 CGEDMO CC[N@@H+](Cc1c(C#N)c(C)nn1-c1ccccc1)CC1CC1 ZINC000611347097 348440099 /nfs/dbraw/zinc/44/00/99/348440099.db2.gz GWYDVIRMQWZAEA-UHFFFAOYSA-N 1 1 294.402 3.284 20 30 CGEDMO CC[N@H+](Cc1c(C#N)c(C)nn1-c1ccccc1)CC1CC1 ZINC000611347097 348440101 /nfs/dbraw/zinc/44/01/01/348440101.db2.gz GWYDVIRMQWZAEA-UHFFFAOYSA-N 1 1 294.402 3.284 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccccc1C#N)c1cccc(C#N)c1 ZINC000611119155 348423673 /nfs/dbraw/zinc/42/36/73/348423673.db2.gz BLJUZHNWFBHTGI-CYBMUJFWSA-N 1 1 261.328 3.281 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1cccc(C#N)c1 ZINC000611387563 348443804 /nfs/dbraw/zinc/44/38/04/348443804.db2.gz CGABURHBIGMRCU-LLVKDONJSA-N 1 1 299.305 3.456 20 30 CGEDMO CC(C)[N@H+](C)CCCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000611390669 348444402 /nfs/dbraw/zinc/44/44/02/348444402.db2.gz NMWAVHWYRSUNJN-SFHVURJKSA-N 1 1 285.435 3.256 20 30 CGEDMO CC(C)[N@@H+](C)CCCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000611390669 348444406 /nfs/dbraw/zinc/44/44/06/348444406.db2.gz NMWAVHWYRSUNJN-SFHVURJKSA-N 1 1 285.435 3.256 20 30 CGEDMO CC[C@H](CN[C@@H]1CCCc2cc(C#N)ccc21)[NH+]1CCCC1 ZINC000611390582 348444715 /nfs/dbraw/zinc/44/47/15/348444715.db2.gz JFWZPSGUKUCRIA-IEBWSBKVSA-N 1 1 297.446 3.400 20 30 CGEDMO CCC[N@@H+](Cc1ccc(OC)cc1)CC1(C#N)CC1 ZINC000611429291 348451066 /nfs/dbraw/zinc/45/10/66/348451066.db2.gz BEQWCYGSALHVMT-UHFFFAOYSA-N 1 1 258.365 3.211 20 30 CGEDMO N#CCC1CC[NH+](Cc2ccn(-c3cccc(F)c3)n2)CC1 ZINC000611687852 348467056 /nfs/dbraw/zinc/46/70/56/348467056.db2.gz ZYNIHOZDYSDNHL-UHFFFAOYSA-N 1 1 298.365 3.137 20 30 CGEDMO COc1ccc([C@H](C)C[N@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612406458 348517608 /nfs/dbraw/zinc/51/76/08/348517608.db2.gz MTAVHQZODYONHO-RHSMWYFYSA-N 1 1 272.392 3.424 20 30 CGEDMO C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C[C@@H]1CCCO1 ZINC000614160733 348653606 /nfs/dbraw/zinc/65/36/06/348653606.db2.gz CITUXUDDRAQZAC-INIZCTEOSA-N 1 1 272.392 3.099 20 30 CGEDMO CN1CCC[C@H](C[N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614168088 348654228 /nfs/dbraw/zinc/65/42/28/348654228.db2.gz REJHBMKZNXMVNV-KRWDZBQOSA-N 1 1 299.462 3.261 20 30 CGEDMO CN1CCC[C@H](C[N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614168088 348654229 /nfs/dbraw/zinc/65/42/29/348654229.db2.gz REJHBMKZNXMVNV-KRWDZBQOSA-N 1 1 299.462 3.261 20 30 CGEDMO CN(Cc1ccc(C(C)(C)C#N)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000614168088 348654232 /nfs/dbraw/zinc/65/42/32/348654232.db2.gz REJHBMKZNXMVNV-KRWDZBQOSA-N 1 1 299.462 3.261 20 30 CGEDMO CN(Cc1ccc(C(C)(C)C#N)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000614168088 348654234 /nfs/dbraw/zinc/65/42/34/348654234.db2.gz REJHBMKZNXMVNV-KRWDZBQOSA-N 1 1 299.462 3.261 20 30 CGEDMO CC[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@H](C)O1 ZINC000614166959 348654557 /nfs/dbraw/zinc/65/45/57/348654557.db2.gz PYYXADWZTWEZQC-YOEHRIQHSA-N 1 1 286.419 3.487 20 30 CGEDMO C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@H](CO)C(C)(C)C ZINC000614176349 348655097 /nfs/dbraw/zinc/65/50/97/348655097.db2.gz VVMDKGJUYFGAJI-MRXNPFEDSA-N 1 1 288.435 3.327 20 30 CGEDMO CC[C@]1(C)COCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614178951 348656014 /nfs/dbraw/zinc/65/60/14/348656014.db2.gz VCTRBAXTYSUOGD-GOSISDBHSA-N 1 1 286.419 3.489 20 30 CGEDMO COCC[N@@H+](CCC#N)[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000615113817 348715361 /nfs/dbraw/zinc/71/53/61/348715361.db2.gz XYZMUSQXQKZWGN-QZTJIDSGSA-N 1 1 286.419 3.359 20 30 CGEDMO CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2C)C[C@@H]1C ZINC000614402303 348674023 /nfs/dbraw/zinc/67/40/23/348674023.db2.gz RBOOHSBEHIPKJV-MAUKXSAKSA-N 1 1 285.435 3.171 20 30 CGEDMO CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2C)C[C@@H]1C ZINC000614402303 348674025 /nfs/dbraw/zinc/67/40/25/348674025.db2.gz RBOOHSBEHIPKJV-MAUKXSAKSA-N 1 1 285.435 3.171 20 30 CGEDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2C)C[C@@H]1C ZINC000614402303 348674028 /nfs/dbraw/zinc/67/40/28/348674028.db2.gz RBOOHSBEHIPKJV-MAUKXSAKSA-N 1 1 285.435 3.171 20 30 CGEDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2C)C[C@@H]1C ZINC000614402303 348674029 /nfs/dbraw/zinc/67/40/29/348674029.db2.gz RBOOHSBEHIPKJV-MAUKXSAKSA-N 1 1 285.435 3.171 20 30 CGEDMO C=CC[C@@H]1CCCN(C(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000617785520 349012925 /nfs/dbraw/zinc/01/29/25/349012925.db2.gz KXCGZSXSZAQHOR-QKPAOTATSA-N 1 1 278.440 3.062 20 30 CGEDMO C[N@@H+](CCSCc1ccnc(C#N)c1)Cc1ccccc1 ZINC000618966043 349187775 /nfs/dbraw/zinc/18/77/75/349187775.db2.gz XJOBSZOGIZZMLJ-UHFFFAOYSA-N 1 1 297.427 3.318 20 30 CGEDMO C=C[C@@H](C(=O)OC)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000619785569 349284965 /nfs/dbraw/zinc/28/49/65/349284965.db2.gz XKORQGAWVJGMEP-YVSFHVDLSA-N 1 1 285.387 3.125 20 30 CGEDMO C=C[C@@H](C(=O)OC)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000619785569 349284968 /nfs/dbraw/zinc/28/49/68/349284968.db2.gz XKORQGAWVJGMEP-YVSFHVDLSA-N 1 1 285.387 3.125 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)CCC1 ZINC000620781312 349423192 /nfs/dbraw/zinc/42/31/92/349423192.db2.gz LYRFEPQFXIBJLW-QGZVFWFLSA-N 1 1 298.430 3.124 20 30 CGEDMO C=CCCC(C)(C)NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000620864577 349432442 /nfs/dbraw/zinc/43/24/42/349432442.db2.gz IEQZANZOKJJMKV-ZDUSSCGKSA-N 1 1 277.412 3.258 20 30 CGEDMO C=CC[N@@H+](C[C@H](OC)c1ccc(F)cc1)[C@H](C)COC ZINC000625530135 350181124 /nfs/dbraw/zinc/18/11/24/350181124.db2.gz IXBQUWDODBVLFY-CJNGLKHVSA-N 1 1 281.371 3.036 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CCOc2ccccc2C(C)=O)C1 ZINC000625701132 350198862 /nfs/dbraw/zinc/19/88/62/350198862.db2.gz NLMUSOYTBQDTJE-HNNXBMFYSA-N 1 1 273.376 3.166 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000625700808 350199048 /nfs/dbraw/zinc/19/90/48/350199048.db2.gz MJCDRRBTFIPARS-NSHDSACASA-N 1 1 275.377 3.196 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ncccc2C(F)(F)F)C1 ZINC000625703762 350199547 /nfs/dbraw/zinc/19/95/47/350199547.db2.gz SPZKMGGSFQDXBJ-LLVKDONJSA-N 1 1 270.298 3.498 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cccc(NC(C)=O)c2)C1 ZINC000625702571 350199574 /nfs/dbraw/zinc/19/95/74/350199574.db2.gz ZQQBWLMEDSQBOE-AWEZNQCLSA-N 1 1 258.365 3.043 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000625701688 350199712 /nfs/dbraw/zinc/19/97/12/350199712.db2.gz LNGOCMZKHWMUTQ-HNNXBMFYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[C@H]1CC[N@H+](C[C@H](OC)c2ccc(F)cc2)C1 ZINC000625703335 350200092 /nfs/dbraw/zinc/20/00/92/350200092.db2.gz SJSUERCWHQVMLI-BBRMVZONSA-N 1 1 263.356 3.411 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](C[C@H](OC)c2ccc(F)cc2)C1 ZINC000625703336 350200137 /nfs/dbraw/zinc/20/01/37/350200137.db2.gz SJSUERCWHQVMLI-CJNGLKHVSA-N 1 1 263.356 3.411 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CCC(=O)c2ccc(F)cc2)C1 ZINC000625704118 350200855 /nfs/dbraw/zinc/20/08/55/350200855.db2.gz VQYKDQPSFGLASH-ZDUSSCGKSA-N 1 1 261.340 3.297 20 30 CGEDMO C=CCC1([NH2+]CC[C@H]2CCCN2C)CCCCC1 ZINC000625935399 350233415 /nfs/dbraw/zinc/23/34/15/350233415.db2.gz YNYJGRFOIKWWBS-OAHLLOKOSA-N 1 1 250.430 3.339 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1cnc(C2CC2)o1 ZINC000628234883 350456634 /nfs/dbraw/zinc/45/66/34/350456634.db2.gz QICOODQBNRWYON-UHFFFAOYSA-N 1 1 272.348 3.376 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(OCC)c(OC)c2)C1 ZINC000628405397 350528937 /nfs/dbraw/zinc/52/89/37/350528937.db2.gz KXDTXVODAOOHFA-CQSZACIVSA-N 1 1 275.392 3.492 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccccc2-c2ccnn2C)C1 ZINC000628406752 350529268 /nfs/dbraw/zinc/52/92/68/350529268.db2.gz PZDNKHDRKLRYFU-HNNXBMFYSA-N 1 1 281.403 3.485 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cccc(OC)c2OC)C1 ZINC000628405916 350529562 /nfs/dbraw/zinc/52/95/62/350529562.db2.gz XJIGMQQRSINXCZ-ZDUSSCGKSA-N 1 1 261.365 3.102 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cnc(N(CC)CC)s2)C1 ZINC000628405983 350529671 /nfs/dbraw/zinc/52/96/71/350529671.db2.gz ZHBIWZPQCWQCSM-ZDUSSCGKSA-N 1 1 279.453 3.387 20 30 CGEDMO C=CC[C@H](Cc1ccccc1)n1cc(C[NH+](CC)CC)nn1 ZINC000630592167 350857095 /nfs/dbraw/zinc/85/70/95/350857095.db2.gz KKOAATCQVLKMOZ-GOSISDBHSA-N 1 1 298.434 3.480 20 30 CGEDMO C=C(C)C[NH+]1CCC(NCc2ccc(C(F)F)nc2)CC1 ZINC000631065843 350941110 /nfs/dbraw/zinc/94/11/10/350941110.db2.gz XRPJSWJNQSKQGV-UHFFFAOYSA-N 1 1 295.377 3.149 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000630725125 350879062 /nfs/dbraw/zinc/87/90/62/350879062.db2.gz KMXWIWHIFDBDDP-KRWDZBQOSA-N 1 1 298.430 3.124 20 30 CGEDMO COc1cc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)ccc1C#N ZINC000291436863 198021680 /nfs/dbraw/zinc/02/16/80/198021680.db2.gz BPZLHMKZMHXBLE-NSHDSACASA-N 1 1 280.318 3.044 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000122464691 187033122 /nfs/dbraw/zinc/03/31/22/187033122.db2.gz OKLIOWDNTOTFJP-HKUYNNGSSA-N 1 1 296.414 3.220 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H](C)c1sc(CCOC)nc1C ZINC000271450630 191144320 /nfs/dbraw/zinc/14/43/20/191144320.db2.gz FRXUOPADOIVWDL-VIFPVBQESA-N 1 1 274.817 3.044 20 30 CGEDMO CO[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000364338566 234034738 /nfs/dbraw/zinc/03/47/38/234034738.db2.gz BASFFYSVWBTTIG-OAHLLOKOSA-N 1 1 278.783 3.213 20 30 CGEDMO CO[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000364338566 234034740 /nfs/dbraw/zinc/03/47/40/234034740.db2.gz BASFFYSVWBTTIG-OAHLLOKOSA-N 1 1 278.783 3.213 20 30 CGEDMO C=C(Cl)CN[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000271503247 191178126 /nfs/dbraw/zinc/17/81/26/191178126.db2.gz NMOHMGIUTIITFG-CYBMUJFWSA-N 1 1 282.815 3.030 20 30 CGEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292110663 198165853 /nfs/dbraw/zinc/16/58/53/198165853.db2.gz HCGUSOKCHABJLO-YOEHRIQHSA-N 1 1 293.370 3.168 20 30 CGEDMO Cc1ccoc1C[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000292122800 198171419 /nfs/dbraw/zinc/17/14/19/198171419.db2.gz HSMBJNRZWZRLPG-UHFFFAOYSA-N 1 1 258.296 3.231 20 30 CGEDMO Cc1ccoc1C[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000292122800 198171421 /nfs/dbraw/zinc/17/14/21/198171421.db2.gz HSMBJNRZWZRLPG-UHFFFAOYSA-N 1 1 258.296 3.231 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)o1)Cc1ccccc1C ZINC000153737234 188099631 /nfs/dbraw/zinc/09/96/31/188099631.db2.gz IQZDDGFRKHPRLB-UHFFFAOYSA-N 1 1 254.333 3.482 20 30 CGEDMO COC(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)o1 ZINC000271672127 191269973 /nfs/dbraw/zinc/26/99/73/191269973.db2.gz NNUDVONFRDGDCS-NWDGAFQWSA-N 1 1 298.342 3.350 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000292564097 198333564 /nfs/dbraw/zinc/33/35/64/198333564.db2.gz BFLFXTDDCBEQIK-OAHLLOKOSA-N 1 1 290.794 3.091 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000292564097 198333565 /nfs/dbraw/zinc/33/35/65/198333565.db2.gz BFLFXTDDCBEQIK-OAHLLOKOSA-N 1 1 290.794 3.091 20 30 CGEDMO C#CC[C@H]([NH2+]Cc1ncc(C)s1)c1ccccc1 ZINC000271719345 191290193 /nfs/dbraw/zinc/29/01/93/191290193.db2.gz PQSWUISCCLHYSA-AWEZNQCLSA-N 1 1 256.374 3.306 20 30 CGEDMO N#CC1(CC[N@H+]2CCC[C@H]3COCC[C@@H]32)CCCCC1 ZINC000335180042 283045687 /nfs/dbraw/zinc/04/56/87/283045687.db2.gz HZYKSRGPCFWHBI-HOTGVXAUSA-N 1 1 276.424 3.351 20 30 CGEDMO CCC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)CC(C)C ZINC000346603993 283089223 /nfs/dbraw/zinc/08/92/23/283089223.db2.gz OPHMBDBIFMAHRQ-UHFFFAOYSA-N 1 1 293.455 3.039 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)o1 ZINC000335885343 283140800 /nfs/dbraw/zinc/14/08/00/283140800.db2.gz HLVGQAHIXNAECT-GOSISDBHSA-N 1 1 294.354 3.173 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)cc1F ZINC000335179603 283143809 /nfs/dbraw/zinc/14/38/09/283143809.db2.gz WIVVTRHSUGRTCD-AEFFLSMTSA-N 1 1 296.345 3.005 20 30 CGEDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)CC1(C)C ZINC000273580774 192214204 /nfs/dbraw/zinc/21/42/04/192214204.db2.gz DSKWDSFYQXGRJX-CQSZACIVSA-N 1 1 299.418 3.255 20 30 CGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2C2CCC2)cc1 ZINC000328911312 202107705 /nfs/dbraw/zinc/10/77/05/202107705.db2.gz GGHBTQVUJGJLMX-KRWDZBQOSA-N 1 1 297.402 3.151 20 30 CGEDMO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)CC12CCC2 ZINC000329147019 202204481 /nfs/dbraw/zinc/20/44/81/202204481.db2.gz ORKUBYHRCDMTAI-CQSZACIVSA-N 1 1 297.402 3.009 20 30 CGEDMO C[C@@H]1CCC[C@H](C)[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000125177258 138380272 /nfs/dbraw/zinc/38/02/72/138380272.db2.gz ARIJPNDVPZCBOE-NEPJUHHUSA-N 1 1 291.420 3.069 20 30 CGEDMO C[C@@H]1CCC[C@H](C)[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000125177258 138380273 /nfs/dbraw/zinc/38/02/73/138380273.db2.gz ARIJPNDVPZCBOE-NEPJUHHUSA-N 1 1 291.420 3.069 20 30 CGEDMO C[C@@H](c1ccco1)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000191968920 138476591 /nfs/dbraw/zinc/47/65/91/138476591.db2.gz AEZCHSCFCQAORA-NSHDSACASA-N 1 1 258.296 3.483 20 30 CGEDMO C[C@@H](c1ccco1)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000191968920 138476592 /nfs/dbraw/zinc/47/65/92/138476592.db2.gz AEZCHSCFCQAORA-NSHDSACASA-N 1 1 258.296 3.483 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)C1CCCCC1 ZINC000425542490 236258474 /nfs/dbraw/zinc/25/84/74/236258474.db2.gz YEIRQBKLBQNNRU-KDOFPFPSSA-N 1 1 286.419 3.492 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCO[C@@H]1CCCCO1 ZINC000425537745 236259161 /nfs/dbraw/zinc/25/91/61/236259161.db2.gz QZAPDDNEQNWYKT-RHSMWYFYSA-N 1 1 288.391 3.094 20 30 CGEDMO N#Cc1c(F)cccc1C[NH2+]C1(c2ccccc2)CC1 ZINC000428322791 236393480 /nfs/dbraw/zinc/39/34/80/236393480.db2.gz VBDLGGIJEADYIL-UHFFFAOYSA-N 1 1 266.319 3.476 20 30 CGEDMO N#Cc1ccccc1OCC[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000437827790 237358936 /nfs/dbraw/zinc/35/89/36/237358936.db2.gz IEQGDBRNMZRSHO-GOSISDBHSA-N 1 1 292.382 3.254 20 30 CGEDMO C[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1cccc(O)c1 ZINC000341802683 216110454 /nfs/dbraw/zinc/11/04/54/216110454.db2.gz ASFCFKHUCSVCHW-LLVKDONJSA-N 1 1 270.307 3.254 20 30 CGEDMO C[C@]12CC[N@H+](Cc3ccccc3C#N)C[C@H]1C2(F)F ZINC000298303592 200389431 /nfs/dbraw/zinc/38/94/31/200389431.db2.gz PTWPJNYCCMJBPM-KGLIPLIRSA-N 1 1 262.303 3.035 20 30 CGEDMO C[C@]12CC[N@@H+](Cc3ccccc3C#N)C[C@H]1C2(F)F ZINC000298303592 200389432 /nfs/dbraw/zinc/38/94/32/200389432.db2.gz PTWPJNYCCMJBPM-KGLIPLIRSA-N 1 1 262.303 3.035 20 30 CGEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@H](C)C1(C)CC1 ZINC000177217800 189037780 /nfs/dbraw/zinc/03/77/80/189037780.db2.gz YUUPNQRRAPRNQZ-CYBMUJFWSA-N 1 1 288.391 3.066 20 30 CGEDMO C=C(C)C[NH+]1CCC(N[C@@H](C)c2sc(C)nc2C)CC1 ZINC000177915886 189079175 /nfs/dbraw/zinc/07/91/75/189079175.db2.gz FAAIJMRWSINGFV-ZDUSSCGKSA-N 1 1 293.480 3.451 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCCC[C@H]1CCO ZINC000342031951 216194832 /nfs/dbraw/zinc/19/48/32/216194832.db2.gz LQMNAPWQUCCQHG-INIZCTEOSA-N 1 1 292.810 3.339 20 30 CGEDMO CC[N@@H+](Cc1cn(C)nc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000179463114 189195537 /nfs/dbraw/zinc/19/55/37/189195537.db2.gz ZUQAASNDQLJGKT-AWEZNQCLSA-N 1 1 282.391 3.183 20 30 CGEDMO CC(=O)c1ccc(C#N)c(NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000302104884 201344767 /nfs/dbraw/zinc/34/47/67/201344767.db2.gz MYUFROUOAILAIR-KGLIPLIRSA-N 1 1 299.418 3.293 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC[C@H]1CCCO1 ZINC000342598242 216424759 /nfs/dbraw/zinc/42/47/59/216424759.db2.gz SEKFMRQXYXZYQY-CZUORRHYSA-N 1 1 258.365 3.120 20 30 CGEDMO C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1CCC(C)(C)C#N ZINC000119907005 370721962 /nfs/dbraw/zinc/72/19/62/370721962.db2.gz AQBMIFDLJCXBMB-HOCLYGCPSA-N 1 1 272.392 3.388 20 30 CGEDMO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1CCC(C)(C)C#N ZINC000119907005 370721967 /nfs/dbraw/zinc/72/19/67/370721967.db2.gz AQBMIFDLJCXBMB-HOCLYGCPSA-N 1 1 272.392 3.388 20 30 CGEDMO C[C@@]12C[N@@H+](Cc3cc(C#N)ccc3F)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451355878 240281067 /nfs/dbraw/zinc/28/10/67/240281067.db2.gz CUZJRSHZEFBURR-VUNQQRPYSA-N 1 1 282.362 3.341 20 30 CGEDMO CC[N@@H+](CCCC(=O)c1ccc(F)cc1)C[C@@H](C)C#N ZINC000050153282 260678140 /nfs/dbraw/zinc/67/81/40/260678140.db2.gz XJAXXBGPLUJXCZ-ZDUSSCGKSA-N 1 1 276.355 3.270 20 30 CGEDMO C=CC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000121506743 370867017 /nfs/dbraw/zinc/86/70/17/370867017.db2.gz LKBRMHNFXLWZAD-SECBINFHSA-N 1 1 287.190 3.438 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000121506743 370867021 /nfs/dbraw/zinc/86/70/21/370867021.db2.gz LKBRMHNFXLWZAD-SECBINFHSA-N 1 1 287.190 3.438 20 30 CGEDMO CC(C)c1nnc([C@@H](C)[NH2+][C@H]2CCc3ccc(C#N)cc32)[nH]1 ZINC000353271090 220001742 /nfs/dbraw/zinc/00/17/42/220001742.db2.gz XYOKIFMXDMPNHJ-ABAIWWIYSA-N 1 1 295.390 3.138 20 30 CGEDMO C[C@@H](NCC1([NH+](C)C)CCCC1)c1ccc(C#N)cc1 ZINC000160713196 296118125 /nfs/dbraw/zinc/11/81/25/296118125.db2.gz PHRSNODWXJPOLZ-CQSZACIVSA-N 1 1 271.408 3.083 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000125936813 370941252 /nfs/dbraw/zinc/94/12/52/370941252.db2.gz ZVSOQLMYZIJKHZ-JKSUJKDBSA-N 1 1 288.435 3.459 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)Nc1ccc(C)cc1F ZINC000125935732 370941762 /nfs/dbraw/zinc/94/17/62/370941762.db2.gz ASSXXJLDVROOHJ-CYBMUJFWSA-N 1 1 278.371 3.359 20 30 CGEDMO C[N@H+](Cc1ccccc1)Cc1cc(C#N)ccc1F ZINC000019423310 368752128 /nfs/dbraw/zinc/75/21/28/368752128.db2.gz COAJGALXDBFULI-UHFFFAOYSA-N 1 1 254.308 3.329 20 30 CGEDMO C[N@@H+](Cc1ccccc1)Cc1cc(C#N)ccc1F ZINC000019423310 368752132 /nfs/dbraw/zinc/75/21/32/368752132.db2.gz COAJGALXDBFULI-UHFFFAOYSA-N 1 1 254.308 3.329 20 30 CGEDMO C[N@@H+](CCOc1cccc(C#N)c1)C1CCCCC1 ZINC000034674086 368976776 /nfs/dbraw/zinc/97/67/76/368976776.db2.gz AEOUPOCQBXVNIV-UHFFFAOYSA-N 1 1 258.365 3.202 20 30 CGEDMO CC[C@H]1CCCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000034674498 368976834 /nfs/dbraw/zinc/97/68/34/368976834.db2.gz GIOKVRKOTCQEBB-HNNXBMFYSA-N 1 1 258.365 3.202 20 30 CGEDMO N#Cc1cccc(C[NH2+]Cc2cc(F)ccc2F)c1 ZINC000037748830 369103810 /nfs/dbraw/zinc/10/38/10/369103810.db2.gz OLMOKPZYOKCSKI-UHFFFAOYSA-N 1 1 258.271 3.126 20 30 CGEDMO C[C@@H]([NH2+]CCC#N)c1ccc(Br)s1 ZINC000038002128 369137965 /nfs/dbraw/zinc/13/79/65/369137965.db2.gz LCWMNJQMPQGTSB-SSDOTTSWSA-N 1 1 259.172 3.075 20 30 CGEDMO COc1ccccc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000042267119 369209336 /nfs/dbraw/zinc/20/93/36/369209336.db2.gz DVPSFCWXQMQCOD-UHFFFAOYSA-N 1 1 266.344 3.199 20 30 CGEDMO Cc1[nH+]ccn1CCCOc1ccc(C#N)c(Cl)c1 ZINC000276070972 193205098 /nfs/dbraw/zinc/20/50/98/193205098.db2.gz SMESEDLRUVOIFK-UHFFFAOYSA-N 1 1 275.739 3.186 20 30 CGEDMO C[N@@H+](CCOc1ccccc1)Cc1cccc(C#N)c1 ZINC000048811110 369371506 /nfs/dbraw/zinc/37/15/06/369371506.db2.gz NXJLXCLAVSBVBM-UHFFFAOYSA-N 1 1 266.344 3.069 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)Nc1c(C)cccc1Cl ZINC000276452018 193336263 /nfs/dbraw/zinc/33/62/63/193336263.db2.gz PNVRTCHYZHTDST-UHFFFAOYSA-N 1 1 266.772 3.095 20 30 CGEDMO CC[N@@H+](Cc1ccc(-n2nc(C)cc2C)cc1)C[C@H](C)C#N ZINC000066424017 369693716 /nfs/dbraw/zinc/69/37/16/369693716.db2.gz NHSYXAQGTZDQEN-CQSZACIVSA-N 1 1 296.418 3.471 20 30 CGEDMO CC[N@H+](Cc1ccc(-n2nc(C)cc2C)cc1)C[C@H](C)C#N ZINC000066424017 369693721 /nfs/dbraw/zinc/69/37/21/369693721.db2.gz NHSYXAQGTZDQEN-CQSZACIVSA-N 1 1 296.418 3.471 20 30 CGEDMO COc1ccccc1OCC[N@H+](CCC#N)CCC(C)C ZINC000072691884 369834920 /nfs/dbraw/zinc/83/49/20/369834920.db2.gz USYVOWBXJGWRNX-UHFFFAOYSA-N 1 1 290.407 3.336 20 30 CGEDMO COc1ccccc1OCC[N@@H+](CCC#N)CCC(C)C ZINC000072691884 369834924 /nfs/dbraw/zinc/83/49/24/369834924.db2.gz USYVOWBXJGWRNX-UHFFFAOYSA-N 1 1 290.407 3.336 20 30 CGEDMO CCCN(CCC#N)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000076746455 369941358 /nfs/dbraw/zinc/94/13/58/369941358.db2.gz QWRAUPRGOFVWGE-GOSISDBHSA-N 1 1 285.435 3.277 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000076734626 369941622 /nfs/dbraw/zinc/94/16/22/369941622.db2.gz XJCMVENRORCKJD-LLVKDONJSA-N 1 1 282.334 3.190 20 30 CGEDMO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cnccn1 ZINC000090665527 370063116 /nfs/dbraw/zinc/06/31/16/370063116.db2.gz CEMOPLNTOSOIBE-ZFWWWQNUSA-N 1 1 266.348 3.172 20 30 CGEDMO CCCOc1cc(C[N@H+](CC)C[C@@H](C)C#N)ccc1OC ZINC000091983687 370086429 /nfs/dbraw/zinc/08/64/29/370086429.db2.gz XIHIGPMAMJZPGC-AWEZNQCLSA-N 1 1 290.407 3.466 20 30 CGEDMO CCCOc1cc(C[N@@H+](CC)C[C@@H](C)C#N)ccc1OC ZINC000091983687 370086439 /nfs/dbraw/zinc/08/64/39/370086439.db2.gz XIHIGPMAMJZPGC-AWEZNQCLSA-N 1 1 290.407 3.466 20 30 CGEDMO C=CCOc1ccccc1C[N@H+](CC)Cc1cnn(C)c1 ZINC000092437864 370096601 /nfs/dbraw/zinc/09/66/01/370096601.db2.gz MFTGJMPSUCEKMR-UHFFFAOYSA-N 1 1 285.391 3.007 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+](CC)Cc1cnn(C)c1 ZINC000092437864 370096605 /nfs/dbraw/zinc/09/66/05/370096605.db2.gz MFTGJMPSUCEKMR-UHFFFAOYSA-N 1 1 285.391 3.007 20 30 CGEDMO CCC(CC)[N@@H+](CCOC)CC(C)(C)CCC#N ZINC000092566088 370098105 /nfs/dbraw/zinc/09/81/05/370098105.db2.gz OPLIWAAWNMBNOE-UHFFFAOYSA-N 1 1 254.418 3.453 20 30 CGEDMO C=CCOc1ccc(C[N@H+](CCC#N)CC2CC2)cc1 ZINC000093091239 370108886 /nfs/dbraw/zinc/10/88/86/370108886.db2.gz DOOOXMRHOITAFD-UHFFFAOYSA-N 1 1 270.376 3.377 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](CCC#N)CC2CC2)cc1 ZINC000093091239 370108892 /nfs/dbraw/zinc/10/88/92/370108892.db2.gz DOOOXMRHOITAFD-UHFFFAOYSA-N 1 1 270.376 3.377 20 30 CGEDMO C[C@@H](CC#N)[N@H+](C)Cc1cccc(-c2ccncc2)c1 ZINC000093090830 370108953 /nfs/dbraw/zinc/10/89/53/370108953.db2.gz LZPSNOZQZXRYRK-AWEZNQCLSA-N 1 1 265.360 3.483 20 30 CGEDMO C[C@@H](CC#N)[N@@H+](C)Cc1cccc(-c2ccncc2)c1 ZINC000093090830 370108962 /nfs/dbraw/zinc/10/89/62/370108962.db2.gz LZPSNOZQZXRYRK-AWEZNQCLSA-N 1 1 265.360 3.483 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)cc1OC ZINC000093443287 370130804 /nfs/dbraw/zinc/13/08/04/370130804.db2.gz XJUUNWOPJKKUAS-IYBDPMFKSA-N 1 1 287.403 3.492 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H]1C1CCC1 ZINC000103143396 370319562 /nfs/dbraw/zinc/31/95/62/370319562.db2.gz XKZJFNXDIDQGMF-INIZCTEOSA-N 1 1 258.340 3.462 20 30 CGEDMO N#CCCCC[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000112978729 370458650 /nfs/dbraw/zinc/45/86/50/370458650.db2.gz VCLABHAJSLNPPB-UHFFFAOYSA-N 1 1 258.365 3.298 20 30 CGEDMO C[C@H]1SCC[N@H+](Cc2cn3ccccc3c2C#N)[C@H]1C ZINC000118417784 370615422 /nfs/dbraw/zinc/61/54/22/370615422.db2.gz QNFMIGJQNZSNSZ-QWHCGFSZSA-N 1 1 285.416 3.137 20 30 CGEDMO C[C@H]1SCC[N@@H+](Cc2cn3ccccc3c2C#N)[C@H]1C ZINC000118417784 370615427 /nfs/dbraw/zinc/61/54/27/370615427.db2.gz QNFMIGJQNZSNSZ-QWHCGFSZSA-N 1 1 285.416 3.137 20 30 CGEDMO C=CCOc1ccccc1C[N@H+](C)[C@@H]1CCSC1 ZINC000130548227 371042948 /nfs/dbraw/zinc/04/29/48/371042948.db2.gz DAIFQNXUIYLDNB-CQSZACIVSA-N 1 1 263.406 3.189 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)CCS1 ZINC000131346485 371100414 /nfs/dbraw/zinc/10/04/14/371100414.db2.gz RWGQOHMJIVKLRS-CQSZACIVSA-N 1 1 290.432 3.306 20 30 CGEDMO N#Cc1ccc(OCC[N@H+]2CCc3ccsc3C2)cc1 ZINC000132737885 371197929 /nfs/dbraw/zinc/19/79/29/371197929.db2.gz YYSWJHZFHVHNGQ-UHFFFAOYSA-N 1 1 284.384 3.057 20 30 CGEDMO N#CCCC[N@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000133287964 371239915 /nfs/dbraw/zinc/23/99/15/371239915.db2.gz JCPSNHWSUGAGJE-ZDUSSCGKSA-N 1 1 278.783 3.487 20 30 CGEDMO N#CCCC[N@@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000133287964 371239918 /nfs/dbraw/zinc/23/99/18/371239918.db2.gz JCPSNHWSUGAGJE-ZDUSSCGKSA-N 1 1 278.783 3.487 20 30 CGEDMO CSC[C@H]1CCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000135478727 371430627 /nfs/dbraw/zinc/43/06/27/371430627.db2.gz CMADMMTZGWLIOF-CQSZACIVSA-N 1 1 285.416 3.138 20 30 CGEDMO CSC[C@H]1CCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000135471883 371430880 /nfs/dbraw/zinc/43/08/80/371430880.db2.gz UIKFNLGVUJXSCC-OAHLLOKOSA-N 1 1 290.432 3.155 20 30 CGEDMO C[C@H](NC[C@H](C)[N@@H+]1CCCC[C@@H]1C)c1cccc(C#N)c1 ZINC000344033640 217019337 /nfs/dbraw/zinc/01/93/37/217019337.db2.gz LEUYXWMTFHYSCR-JYJNAYRXSA-N 1 1 285.435 3.472 20 30 CGEDMO C[C@H](NC[C@H](C)[N@H+]1CCCC[C@@H]1C)c1cccc(C#N)c1 ZINC000344033640 217019341 /nfs/dbraw/zinc/01/93/41/217019341.db2.gz LEUYXWMTFHYSCR-JYJNAYRXSA-N 1 1 285.435 3.472 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153024141 371743758 /nfs/dbraw/zinc/74/37/58/371743758.db2.gz XCXCQWRTMUKOIM-UHFFFAOYSA-N 1 1 287.363 3.283 20 30 CGEDMO C=C(C)C[N@H+](CCCC(=O)OC)Cc1ccccc1 ZINC000153212585 371757680 /nfs/dbraw/zinc/75/76/80/371757680.db2.gz IHRIZYCSGALSFZ-UHFFFAOYSA-N 1 1 261.365 3.018 20 30 CGEDMO CCc1nnc(C[NH2+][C@H](CC)c2ccc(C#N)cc2)s1 ZINC000290022860 371880360 /nfs/dbraw/zinc/88/03/60/371880360.db2.gz CLRKGUCCMNJQRP-CYBMUJFWSA-N 1 1 286.404 3.213 20 30 CGEDMO CC(C)CSCCC[N@@H+](CCC#N)CC1CC1 ZINC000154859141 371883995 /nfs/dbraw/zinc/88/39/95/371883995.db2.gz OSWJLFVVAQSHNU-UHFFFAOYSA-N 1 1 254.443 3.391 20 30 CGEDMO CC/C=C\CC[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344115480 217055805 /nfs/dbraw/zinc/05/58/05/217055805.db2.gz NWUPFKWGWSFADN-PLNGDYQASA-N 1 1 272.392 3.363 20 30 CGEDMO CC#CCC[N@@H+](C)Cc1cc(Br)cs1 ZINC000155102020 371906037 /nfs/dbraw/zinc/90/60/37/371906037.db2.gz NFTADHVCBIXUSM-UHFFFAOYSA-N 1 1 272.211 3.356 20 30 CGEDMO COc1cncc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000290275839 371951727 /nfs/dbraw/zinc/95/17/27/371951727.db2.gz LWDGRPLZDLJHBK-UHFFFAOYSA-N 1 1 293.370 3.126 20 30 CGEDMO COc1cncc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000290275839 371951732 /nfs/dbraw/zinc/95/17/32/371951732.db2.gz LWDGRPLZDLJHBK-UHFFFAOYSA-N 1 1 293.370 3.126 20 30 CGEDMO CC[N@@H+](CCC(=O)Nc1cccc(Cl)c1)C[C@H](C)C#N ZINC000157654333 372031898 /nfs/dbraw/zinc/03/18/98/372031898.db2.gz WWJMNZPLUIWGPT-GFCCVEGCSA-N 1 1 293.798 3.150 20 30 CGEDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000157215493 372011984 /nfs/dbraw/zinc/01/19/84/372011984.db2.gz IKSOLOYBPXQCNH-HNNXBMFYSA-N 1 1 297.373 3.446 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cnc(N(CC)CC)s1 ZINC000158987363 372097106 /nfs/dbraw/zinc/09/71/06/372097106.db2.gz CLWDVIUPFZHJMW-UHFFFAOYSA-N 1 1 267.442 3.387 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(O[C@H](C)C(=O)OC)cc1 ZINC000159011917 372098570 /nfs/dbraw/zinc/09/85/70/372098570.db2.gz AVFWTTFXEXJTDW-CQSZACIVSA-N 1 1 291.391 3.025 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000159013607 372099452 /nfs/dbraw/zinc/09/94/52/372099452.db2.gz VEVLYYNDCUGTLH-UHFFFAOYSA-N 1 1 273.355 3.409 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)[C@H]2CC2(C)C)cc1OC ZINC000426578187 372165077 /nfs/dbraw/zinc/16/50/77/372165077.db2.gz HDEXNXIXOLMPCI-INIZCTEOSA-N 1 1 275.392 3.490 20 30 CGEDMO COc1cc(C[N@H+](C)Cc2occc2C)ccc1C#N ZINC000292791977 372210970 /nfs/dbraw/zinc/21/09/70/372210970.db2.gz MONYSMPFRVUJAV-UHFFFAOYSA-N 1 1 270.332 3.100 20 30 CGEDMO COc1cc(C[N@@H+](C)Cc2occc2C)ccc1C#N ZINC000292791977 372210980 /nfs/dbraw/zinc/21/09/80/372210980.db2.gz MONYSMPFRVUJAV-UHFFFAOYSA-N 1 1 270.332 3.100 20 30 CGEDMO C[C@@H](C#N)C[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000160323858 372237423 /nfs/dbraw/zinc/23/74/23/372237423.db2.gz MCKDWTXGGYKYDC-JTQLQIEISA-N 1 1 259.740 3.137 20 30 CGEDMO C[C@H](C#N)C[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000160323708 372237699 /nfs/dbraw/zinc/23/76/99/372237699.db2.gz MCKDWTXGGYKYDC-SNVBAGLBSA-N 1 1 259.740 3.137 20 30 CGEDMO C=CC[N@H+](C)Cc1cn(-c2ccc(Cl)cc2)nc1C ZINC000428368756 372184496 /nfs/dbraw/zinc/18/44/96/372184496.db2.gz GCMFEXIXKXWAIE-UHFFFAOYSA-N 1 1 275.783 3.452 20 30 CGEDMO C=CCCCCC[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000428990289 372298918 /nfs/dbraw/zinc/29/89/18/372298918.db2.gz GTCWTUNQNRNLSB-MRXNPFEDSA-N 1 1 251.414 3.481 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cs1)Cc1cccc(F)c1 ZINC000160471035 372249368 /nfs/dbraw/zinc/24/93/68/372249368.db2.gz IPTLIECUIZMJQE-UHFFFAOYSA-N 1 1 260.337 3.391 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1cccc(F)c1 ZINC000160471035 372249373 /nfs/dbraw/zinc/24/93/73/372249373.db2.gz IPTLIECUIZMJQE-UHFFFAOYSA-N 1 1 260.337 3.391 20 30 CGEDMO Cc1ccc(C#N)c(NC[C@@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC000161388197 372319145 /nfs/dbraw/zinc/31/91/45/372319145.db2.gz RDBMZMGXKPAAHU-OAHLLOKOSA-N 1 1 294.402 3.194 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+](C)Cc1cc(C)ccc1C ZINC000429295426 372346860 /nfs/dbraw/zinc/34/68/60/372346860.db2.gz PPBIXTMAQNTKNW-UHFFFAOYSA-N 1 1 288.435 3.160 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)Cc1cc(C)ccc1C ZINC000429295426 372346866 /nfs/dbraw/zinc/34/68/66/372346866.db2.gz PPBIXTMAQNTKNW-UHFFFAOYSA-N 1 1 288.435 3.160 20 30 CGEDMO C=CCN(C)CC[N@@H+](CC)CCCc1ccccc1 ZINC000429706105 372378136 /nfs/dbraw/zinc/37/81/36/372378136.db2.gz DWOCRJOCYWBUQZ-UHFFFAOYSA-N 1 1 260.425 3.059 20 30 CGEDMO C=CCC(C)(C)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000429813368 372380180 /nfs/dbraw/zinc/38/01/80/372380180.db2.gz RCBIHSXGXRVDNG-GASCZTMLSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)C[N@@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430336669 372388351 /nfs/dbraw/zinc/38/83/51/372388351.db2.gz YZXBYVZLRNUHFT-UHFFFAOYSA-N 1 1 267.376 3.097 20 30 CGEDMO CC(C)(C)OC1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000162440848 372396957 /nfs/dbraw/zinc/39/69/57/372396957.db2.gz OMQACLPAXYEKCV-UHFFFAOYSA-N 1 1 290.382 3.477 20 30 CGEDMO C=CC[NH+](CC=C)Cc1ccnc(Br)c1 ZINC000293527509 372403023 /nfs/dbraw/zinc/40/30/23/372403023.db2.gz PDZYORKODQMUJE-UHFFFAOYSA-N 1 1 267.170 3.018 20 30 CGEDMO C=C(C)C[N@@H+](CC)C[C@@H](O)c1cc2ccccc2o1 ZINC000293527563 372403177 /nfs/dbraw/zinc/40/31/77/372403177.db2.gz PFWSHLUYDYHPBK-CQSZACIVSA-N 1 1 259.349 3.364 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@H](CO)c2ccccc2)c(Cl)c1 ZINC000162709483 372412250 /nfs/dbraw/zinc/41/22/50/372412250.db2.gz NBOUIHBYXMBDGZ-MRXNPFEDSA-N 1 1 286.762 3.035 20 30 CGEDMO Cc1ccoc1C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000293893590 372514846 /nfs/dbraw/zinc/51/48/46/372514846.db2.gz ZGPCNFSKZDLQMS-LLVKDONJSA-N 1 1 258.296 3.450 20 30 CGEDMO CCCn1ncnc1C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433016187 372577359 /nfs/dbraw/zinc/57/73/59/372577359.db2.gz OJTKURCWYVEZFH-INIZCTEOSA-N 1 1 297.406 3.213 20 30 CGEDMO C[N@H+]1CCC[C@@H]2CN(c3ccc(Cl)cc3C#N)CC[C@@H]21 ZINC000166633586 372578977 /nfs/dbraw/zinc/57/89/77/372578977.db2.gz QTESKGPHYDLION-DOMZBBRYSA-N 1 1 289.810 3.132 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1conc1C ZINC000295308695 372734696 /nfs/dbraw/zinc/73/46/96/372734696.db2.gz KJJVVQRNQZPUDS-UHFFFAOYSA-N 1 1 256.349 3.214 20 30 CGEDMO C=CC[N@H+](CC[C@@H]1CCOC1)Cc1ccccc1F ZINC000437688060 372855143 /nfs/dbraw/zinc/85/51/43/372855143.db2.gz MSVVYFCCJOWXOY-CQSZACIVSA-N 1 1 263.356 3.240 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)CCS1 ZINC000437565692 372852417 /nfs/dbraw/zinc/85/24/17/372852417.db2.gz DEPBLPXLOYTPPB-INIZCTEOSA-N 1 1 277.408 3.251 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)CC[C@@H]1CCOC1 ZINC000437686916 372854723 /nfs/dbraw/zinc/85/47/23/372854723.db2.gz JCSLNQYCDZUHEU-QGZVFWFLSA-N 1 1 259.393 3.144 20 30 CGEDMO C[C@@H]1Cc2c([nH+]cn2Cc2cc(C#N)ccc2F)C[C@@H]1C ZINC000295726177 372890937 /nfs/dbraw/zinc/89/09/37/372890937.db2.gz HJBQLEJRARSXLR-NWDGAFQWSA-N 1 1 283.350 3.313 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000438481886 372962099 /nfs/dbraw/zinc/96/20/99/372962099.db2.gz ZAZICVNILDZBSA-SFHVURJKSA-N 1 1 292.382 3.384 20 30 CGEDMO C=CC[N@H+](CCC(=O)OC(C)C)CC1CCCCC1 ZINC000441382050 373002831 /nfs/dbraw/zinc/00/28/31/373002831.db2.gz JQVBNLZUQIUBTI-UHFFFAOYSA-N 1 1 267.413 3.396 20 30 CGEDMO C[C@@H]1Cc2c([nH+]cn2Cc2ccc(C#N)cc2)C[C@@H]1C ZINC000296049973 373005651 /nfs/dbraw/zinc/00/56/51/373005651.db2.gz UBOTWAGVARRNQT-QWHCGFSZSA-N 1 1 265.360 3.174 20 30 CGEDMO COc1cc(C[N@@H+](C)CCOc2ccccc2)ccc1C#N ZINC000442797210 373086004 /nfs/dbraw/zinc/08/60/04/373086004.db2.gz GVORIZXCYDPWMX-UHFFFAOYSA-N 1 1 296.370 3.078 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)cc1 ZINC000443794386 373161052 /nfs/dbraw/zinc/16/10/52/373161052.db2.gz ZNNDMJFVURKXQO-MPGHIAIKSA-N 1 1 289.419 3.233 20 30 CGEDMO C[C@@H]1CCC[C@@H](C)[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000444220203 373175266 /nfs/dbraw/zinc/17/52/66/373175266.db2.gz BHTFXIMTWDKZNH-HUUCEWRRSA-N 1 1 299.418 3.397 20 30 CGEDMO C=CC[C@H]1[N@@H+](C[C@H](O)CCOC(C)C)CCCC1(C)C ZINC000444783205 373274056 /nfs/dbraw/zinc/27/40/56/373274056.db2.gz KJTWGZWQZLDUMO-HZPDHXFCSA-N 1 1 283.456 3.229 20 30 CGEDMO CCC[N@@H+]1CCC[C@H]1CN[C@H]1CCc2ccc(C#N)cc21 ZINC000353582658 220172747 /nfs/dbraw/zinc/17/27/47/220172747.db2.gz SKGHKJXULHLJDJ-WMZOPIPTSA-N 1 1 283.419 3.010 20 30 CGEDMO CCC[N@H+]1CCC[C@H]1CN[C@H]1CCc2ccc(C#N)cc21 ZINC000353582658 220172750 /nfs/dbraw/zinc/17/27/50/220172750.db2.gz SKGHKJXULHLJDJ-WMZOPIPTSA-N 1 1 283.419 3.010 20 30 CGEDMO Cc1cc(C)cc(C[N@H+](C)C[C@@H](C#N)CCC#N)c1 ZINC000444708400 373248139 /nfs/dbraw/zinc/24/81/39/373248139.db2.gz QPAKZLWQVWCCOO-OAHLLOKOSA-N 1 1 255.365 3.179 20 30 CGEDMO Cc1cc(C)cc(C[N@@H+](C)C[C@@H](C#N)CCC#N)c1 ZINC000444708400 373248143 /nfs/dbraw/zinc/24/81/43/373248143.db2.gz QPAKZLWQVWCCOO-OAHLLOKOSA-N 1 1 255.365 3.179 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2nnc(C3CC3)[nH]2)CCCC1(C)C ZINC000444774045 373270027 /nfs/dbraw/zinc/27/00/27/373270027.db2.gz HHNYDMNUZLSMCJ-ZDUSSCGKSA-N 1 1 274.412 3.249 20 30 CGEDMO C=CC[C@@H]1[N@H+](Cc2nnc(C3CC3)[nH]2)CCCC1(C)C ZINC000444774045 373270028 /nfs/dbraw/zinc/27/00/28/373270028.db2.gz HHNYDMNUZLSMCJ-ZDUSSCGKSA-N 1 1 274.412 3.249 20 30 CGEDMO CC[C@H](NCCC[NH+](CC)CC)c1ccc(C#N)cc1 ZINC000447508691 373442086 /nfs/dbraw/zinc/44/20/86/373442086.db2.gz CSRMZLOEHIBYTO-KRWDZBQOSA-N 1 1 273.424 3.331 20 30 CGEDMO CC[N@@H+](C[C@@H]1CCCO1)[C@H](C)c1ccc(C#N)cc1 ZINC000299074829 373455128 /nfs/dbraw/zinc/45/51/28/373455128.db2.gz QECBOIDPCJJCTR-CJNGLKHVSA-N 1 1 258.365 3.120 20 30 CGEDMO C=CC[N@H+](Cc1c(C)nnn1CC)CC1CCCCC1 ZINC000449035797 373655909 /nfs/dbraw/zinc/65/59/09/373655909.db2.gz QGEBVQOYLYFOFP-UHFFFAOYSA-N 1 1 276.428 3.175 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000177196888 373663395 /nfs/dbraw/zinc/66/33/95/373663395.db2.gz USRDYKMMJBJFIB-HOTGVXAUSA-N 1 1 272.417 3.418 20 30 CGEDMO C[C@H]([N@@H+](C)CC(=O)N(CCC#N)c1ccccc1)C1(C)CC1 ZINC000177240261 373668213 /nfs/dbraw/zinc/66/82/13/373668213.db2.gz PSEPORVXZBUJMG-HNNXBMFYSA-N 1 1 299.418 3.054 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000449223266 373673215 /nfs/dbraw/zinc/67/32/15/373673215.db2.gz FSFRIZFYSBCRDQ-UHFFFAOYSA-N 1 1 273.355 3.234 20 30 CGEDMO C=CCOc1ccccc1C[N@H+](C)[C@H](CO)c1ccccc1 ZINC000449449147 373729843 /nfs/dbraw/zinc/72/98/43/373729843.db2.gz CALCPTJCCBBPHX-GOSISDBHSA-N 1 1 297.398 3.417 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCNc1cc(C#N)nc2ccccc21 ZINC000301356603 373757590 /nfs/dbraw/zinc/75/75/90/373757590.db2.gz KQTUKEYZVVMOIK-CQSZACIVSA-N 1 1 294.402 3.393 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@H](OC)[C@@H](C)C1 ZINC000449510989 373810472 /nfs/dbraw/zinc/81/04/72/373810472.db2.gz YANSBIBDCCCXFO-HOCLYGCPSA-N 1 1 275.392 3.108 20 30 CGEDMO C=CCC[C@@H]([NH2+][C@H](C)C1CCCC1)C(=O)OCC ZINC000449656886 373837749 /nfs/dbraw/zinc/83/77/49/373837749.db2.gz MUGFMLYIHBBLEE-TZMCWYRMSA-N 1 1 253.386 3.053 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCC[C@@]3(CCOC3)C2)c1 ZINC000449682459 373840638 /nfs/dbraw/zinc/84/06/38/373840638.db2.gz HEZWQOQHXRMNND-GOSISDBHSA-N 1 1 287.403 3.254 20 30 CGEDMO C=CCC[C@H](CO)[NH2+][C@H](CCc1ccccc1)C(F)F ZINC000449700758 373846162 /nfs/dbraw/zinc/84/61/62/373846162.db2.gz UUTWACGFRDKTJD-HUUCEWRRSA-N 1 1 283.362 3.170 20 30 CGEDMO Cn1cccc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000180030965 373957395 /nfs/dbraw/zinc/95/73/95/373957395.db2.gz QRFPNOUFDRAKKW-UHFFFAOYSA-N 1 1 265.360 3.061 20 30 CGEDMO COC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(C)c2)CC1 ZINC000449782568 373912546 /nfs/dbraw/zinc/91/25/46/373912546.db2.gz ZTJZNAZDZSGSRH-OAHLLOKOSA-N 1 1 272.392 3.115 20 30 CGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000289536451 197394861 /nfs/dbraw/zinc/39/48/61/197394861.db2.gz WITGYDJHIYJXEO-XJKSGUPXSA-N 1 1 297.402 3.007 20 30 CGEDMO C[C@@H](C1CC1)[N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000179936073 373941479 /nfs/dbraw/zinc/94/14/79/373941479.db2.gz MBETYWIRVLRALC-ZDUSSCGKSA-N 1 1 294.402 3.189 20 30 CGEDMO CC[C@@H](C)C[N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000179940384 373942795 /nfs/dbraw/zinc/94/27/95/373942795.db2.gz BCSUCPQWAKOKMG-CQSZACIVSA-N 1 1 296.418 3.437 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@H+](C)C[C@H](C)CC)c1C ZINC000303484814 374017652 /nfs/dbraw/zinc/01/76/52/374017652.db2.gz QSWBTQHLOFCEJT-CYBMUJFWSA-N 1 1 276.424 3.452 20 30 CGEDMO CC[N@@H+](Cc1ccc(OC)c(OCCCC#N)c1)C1CC1 ZINC000180103012 373965804 /nfs/dbraw/zinc/96/58/04/373965804.db2.gz SCPLUVVHCUTTJL-UHFFFAOYSA-N 1 1 288.391 3.362 20 30 CGEDMO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2ccc(C#N)s2)C1(C)C ZINC000180252009 373983480 /nfs/dbraw/zinc/98/34/80/373983480.db2.gz UAGJZUYTNHWFHN-ZFWWWQNUSA-N 1 1 278.421 3.255 20 30 CGEDMO C[C@H](O)C[N@@H+](Cc1ccc(F)c(C#N)c1)C1CCCCC1 ZINC000305075050 374064727 /nfs/dbraw/zinc/06/47/27/374064727.db2.gz VBUFIJRNRGFWPT-ZDUSSCGKSA-N 1 1 290.382 3.213 20 30 CGEDMO N#Cc1cc(F)ccc1C[NH2+][C@@H](CCCO)c1ccccc1 ZINC000305780702 374111345 /nfs/dbraw/zinc/11/13/45/374111345.db2.gz TVHDAAIKFMLCLP-SFHVURJKSA-N 1 1 298.361 3.301 20 30 CGEDMO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1O)c1ccc(C#N)cc1F ZINC000305825581 374117367 /nfs/dbraw/zinc/11/73/67/374117367.db2.gz QWCGMUCRPOWJFC-UZCIPKQKSA-N 1 1 296.345 3.006 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)CC1CCC(=O)CC1 ZINC000450425480 374118771 /nfs/dbraw/zinc/11/87/71/374118771.db2.gz ANWGWKVCGAVLMS-UHFFFAOYSA-N 1 1 250.386 3.007 20 30 CGEDMO C[C@@H](c1ccccc1)[C@@H](O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000450430509 374123371 /nfs/dbraw/zinc/12/33/71/374123371.db2.gz SGLSHUKLDNFUQO-RDJZCZTQSA-N 1 1 288.435 3.413 20 30 CGEDMO C=CC1CCN(C[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000450397304 374102028 /nfs/dbraw/zinc/10/20/28/374102028.db2.gz YQQDBYSWBUJSML-MRXNPFEDSA-N 1 1 250.430 3.147 20 30 CGEDMO C=CC1CCN(C[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000450397304 374102033 /nfs/dbraw/zinc/10/20/33/374102033.db2.gz YQQDBYSWBUJSML-MRXNPFEDSA-N 1 1 250.430 3.147 20 30 CGEDMO CC(C)C[C@H]1CC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000307777332 374151796 /nfs/dbraw/zinc/15/17/96/374151796.db2.gz QOAINYULLBGQJX-OAHLLOKOSA-N 1 1 272.392 3.305 20 30 CGEDMO Cc1cc(NC[C@H](C)[N@@H+](C)Cc2ccccc2)cc(C#N)n1 ZINC000308279708 374162176 /nfs/dbraw/zinc/16/21/76/374162176.db2.gz WYKXCHBBRPDTOW-HNNXBMFYSA-N 1 1 294.402 3.194 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CCC1)c1ccc(F)c(F)c1 ZINC000450662197 374169533 /nfs/dbraw/zinc/16/95/33/374169533.db2.gz PEMCSOMMCASKFA-SNVBAGLBSA-N 1 1 250.292 3.309 20 30 CGEDMO CCCCC[N@@H+](CCCOC)CC1(C#N)CCC1 ZINC000450703607 374172172 /nfs/dbraw/zinc/17/21/72/374172172.db2.gz CRRJIBIJCIFLRZ-UHFFFAOYSA-N 1 1 252.402 3.209 20 30 CGEDMO CCN(CC1(C#N)CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000450747596 374176283 /nfs/dbraw/zinc/17/62/83/374176283.db2.gz PHYCAEGAPHYOLB-SFHVURJKSA-N 1 1 297.446 3.277 20 30 CGEDMO Cc1cc(C#N)cc(NCCC[N@H+](C)Cc2ccccc2)n1 ZINC000309797206 374196940 /nfs/dbraw/zinc/19/69/40/374196940.db2.gz NKUWLOPXWMKHRN-UHFFFAOYSA-N 1 1 294.402 3.196 20 30 CGEDMO N#Cc1cnc2ccccc2c1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000317140810 374338706 /nfs/dbraw/zinc/33/87/06/374338706.db2.gz BDCZTDDHPLTBTI-GJZGRUSLSA-N 1 1 292.386 3.145 20 30 CGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000317696652 374339400 /nfs/dbraw/zinc/33/94/00/374339400.db2.gz CQRFFOSHUXSJAI-HIFRSBDPSA-N 1 1 299.418 3.253 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@@H](C)C1CCC1 ZINC000325641618 374358915 /nfs/dbraw/zinc/35/89/15/374358915.db2.gz ZXHCESMXWJPNKZ-LBPRGKRZSA-N 1 1 258.365 3.187 20 30 CGEDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000183257322 374392900 /nfs/dbraw/zinc/39/29/00/374392900.db2.gz JYNMIJUSUARJSI-UHFFFAOYSA-N 1 1 295.342 3.407 20 30 CGEDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)c(=O)[nH]1 ZINC000329675442 374420816 /nfs/dbraw/zinc/42/08/16/374420816.db2.gz PAULAZZAHMQVHY-AWEZNQCLSA-N 1 1 289.379 3.091 20 30 CGEDMO CC(C)[N@@H+](C)CCNC(=O)c1coc(C2CCCCC2)n1 ZINC000330434170 374464503 /nfs/dbraw/zinc/46/45/03/374464503.db2.gz LFOGFRKUHUOPEN-UHFFFAOYSA-N 1 1 293.411 3.367 20 30 CGEDMO C[C@H]([NH2+]Cc1cnc(C2CC2)o1)c1ccc(C#N)c(F)c1 ZINC000453347771 374438128 /nfs/dbraw/zinc/43/81/28/374438128.db2.gz IPVNWQOWWFNMCR-JTQLQIEISA-N 1 1 285.322 3.414 20 30 CGEDMO N#Cc1ccc(C2=CC[N@H+](Cc3cncc(F)c3)CC2)cc1 ZINC000334441711 374755304 /nfs/dbraw/zinc/75/53/04/374755304.db2.gz AFGPMDXJKXZGOB-UHFFFAOYSA-N 1 1 293.345 3.382 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3cncc(F)c3)CC2)cc1 ZINC000334441711 374755311 /nfs/dbraw/zinc/75/53/11/374755311.db2.gz AFGPMDXJKXZGOB-UHFFFAOYSA-N 1 1 293.345 3.382 20 30 CGEDMO C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459405973 374807468 /nfs/dbraw/zinc/80/74/68/374807468.db2.gz FYESSPUGAMXBRK-WFASDCNBSA-N 1 1 287.363 3.477 20 30 CGEDMO C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@H]1CCC(C)(C)C1 ZINC000459434070 374807770 /nfs/dbraw/zinc/80/77/70/374807770.db2.gz CKYFJVUAECDGIR-ZDUSSCGKSA-N 1 1 287.363 3.477 20 30 CGEDMO C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@H]1CCC(C)(C)C1 ZINC000459434070 374807778 /nfs/dbraw/zinc/80/77/78/374807778.db2.gz CKYFJVUAECDGIR-ZDUSSCGKSA-N 1 1 287.363 3.477 20 30 CGEDMO C[C@H]1CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1(C)C ZINC000459401502 374807814 /nfs/dbraw/zinc/80/78/14/374807814.db2.gz MDBIQTGKNQQIMB-LBPRGKRZSA-N 1 1 287.363 3.334 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1(C)C ZINC000459401502 374807816 /nfs/dbraw/zinc/80/78/16/374807816.db2.gz MDBIQTGKNQQIMB-LBPRGKRZSA-N 1 1 287.363 3.334 20 30 CGEDMO C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000334582745 374883286 /nfs/dbraw/zinc/88/32/86/374883286.db2.gz OIYUTCQKEJZVID-BJOHPYRUSA-N 1 1 288.347 3.371 20 30 CGEDMO C=CCOCCC[N@H+]1CCc2cc(OCCC)ccc2C1 ZINC000470762855 374998541 /nfs/dbraw/zinc/99/85/41/374998541.db2.gz ZLUGKTJVTVWANQ-UHFFFAOYSA-N 1 1 289.419 3.426 20 30 CGEDMO C=CCOCCC[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000470726237 374999692 /nfs/dbraw/zinc/99/96/92/374999692.db2.gz LGATXLDXGGWHKT-QGZVFWFLSA-N 1 1 277.383 3.425 20 30 CGEDMO C=C(C)CN1CC[N@@H+](CC(=C)C)CC12CCCCC2 ZINC000471276273 375002990 /nfs/dbraw/zinc/00/29/90/375002990.db2.gz IAUYCYHXOJVPCD-UHFFFAOYSA-N 1 1 262.441 3.459 20 30 CGEDMO C=C(C)CN1CC[N@H+](CC(=C)C)C2(CCCCC2)C1 ZINC000471276273 375003001 /nfs/dbraw/zinc/00/30/01/375003001.db2.gz IAUYCYHXOJVPCD-UHFFFAOYSA-N 1 1 262.441 3.459 20 30 CGEDMO C=C(C)CN1CC[N@@H+](CC(=C)C)C2(CCCCC2)C1 ZINC000471276273 375003005 /nfs/dbraw/zinc/00/30/05/375003005.db2.gz IAUYCYHXOJVPCD-UHFFFAOYSA-N 1 1 262.441 3.459 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1C ZINC000472723537 375032166 /nfs/dbraw/zinc/03/21/66/375032166.db2.gz GDWQGPUDVAETHZ-QZTJIDSGSA-N 1 1 273.420 3.329 20 30 CGEDMO CC[C@@]1(CO)CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000187522002 375035851 /nfs/dbraw/zinc/03/58/51/375035851.db2.gz HKSUWHQURHTVJM-QGZVFWFLSA-N 1 1 291.822 3.176 20 30 CGEDMO CC[C@@H]1C[N@H+]([C@@H](C)c2cccc(C#N)c2)CCS1 ZINC000187695306 375075020 /nfs/dbraw/zinc/07/50/20/375075020.db2.gz RBMUPXOIKXKFRC-SWLSCSKDSA-N 1 1 260.406 3.447 20 30 CGEDMO C=C(C)[C@@H]([NH2+]CC(=O)NC(C)(C)C)c1ccc(F)c(F)c1 ZINC000187762916 375089791 /nfs/dbraw/zinc/08/97/91/375089791.db2.gz FNNLQJBNEBKNBF-OAHLLOKOSA-N 1 1 296.361 3.086 20 30 CGEDMO CCC[N@@H+](CC#Cc1ccc(Cl)cc1)CC(C)(C)O ZINC000474233908 375089884 /nfs/dbraw/zinc/08/98/84/375089884.db2.gz SNLLOLZENHOSLK-UHFFFAOYSA-N 1 1 279.811 3.174 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)N(CCC)Cc1ccc(C)cc1 ZINC000481257047 375163621 /nfs/dbraw/zinc/16/36/21/375163621.db2.gz MYFILGBVVBOXAH-UHFFFAOYSA-N 1 1 288.435 3.242 20 30 CGEDMO C=CCC[N@@H+](C)CCOc1ccc(Cl)c(F)c1 ZINC000483990827 375185565 /nfs/dbraw/zinc/18/55/65/375185565.db2.gz XYDDZYGHUZWUQU-UHFFFAOYSA-N 1 1 257.736 3.366 20 30 CGEDMO C=CC[N@H+](CC(=O)NC(C)(C)CC)CC1CCCCC1 ZINC000484670639 375188715 /nfs/dbraw/zinc/18/87/15/375188715.db2.gz PUWJDOLKNYGTDQ-UHFFFAOYSA-N 1 1 280.456 3.360 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@@H](c3cccnc3)C2)ccc1F ZINC000335419783 375279011 /nfs/dbraw/zinc/27/90/11/375279011.db2.gz XXIOPIWEGCDHJJ-OAHLLOKOSA-N 1 1 281.334 3.082 20 30 CGEDMO Cc1oncc1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000188889354 375287820 /nfs/dbraw/zinc/28/78/20/375287820.db2.gz YQHZZIVPDFRXJM-UHFFFAOYSA-N 1 1 267.332 3.019 20 30 CGEDMO Cc1oncc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000188889354 375287824 /nfs/dbraw/zinc/28/78/24/375287824.db2.gz YQHZZIVPDFRXJM-UHFFFAOYSA-N 1 1 267.332 3.019 20 30 CGEDMO C=CC[N@@H+](CC[C@@H]1CCCO1)Cc1cccc(C#N)c1 ZINC000188916318 375292116 /nfs/dbraw/zinc/29/21/16/375292116.db2.gz MMVBQIMQMBMAAX-KRWDZBQOSA-N 1 1 270.376 3.115 20 30 CGEDMO COCC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@@H]1CCC[C@H]1C ZINC000488071136 375303185 /nfs/dbraw/zinc/30/31/85/375303185.db2.gz HTLUDDBDPMZFEW-CXAGYDPISA-N 1 1 290.382 3.334 20 30 CGEDMO C=CCCCCC[N@H+](C)C1CCC(NC(C)=O)CC1 ZINC000488246984 375306885 /nfs/dbraw/zinc/30/68/85/375306885.db2.gz FTUOIXZGVGDPQJ-UHFFFAOYSA-N 1 1 266.429 3.112 20 30 CGEDMO C[C@H](C#N)C[N@@H+](CCCc1cccc(F)c1)C1CC1 ZINC000492995947 375459400 /nfs/dbraw/zinc/45/94/00/375459400.db2.gz UOZIYDJDVNVISE-CYBMUJFWSA-N 1 1 260.356 3.382 20 30 CGEDMO N#C[C@H]1CC[C@H]([N@H+]2CCSC3(CCCCC3)C2)C1 ZINC000335794000 375436571 /nfs/dbraw/zinc/43/65/71/375436571.db2.gz TYQOVVUCMJPJDL-KBPBESRZSA-N 1 1 264.438 3.430 20 30 CGEDMO C[C@H](CCC#N)[N@@H+]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000496367689 375531687 /nfs/dbraw/zinc/53/16/87/375531687.db2.gz LPALXCVLALZQSO-CYBMUJFWSA-N 1 1 295.427 3.010 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000496367689 375531692 /nfs/dbraw/zinc/53/16/92/375531692.db2.gz LPALXCVLALZQSO-CYBMUJFWSA-N 1 1 295.427 3.010 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000494485539 375488338 /nfs/dbraw/zinc/48/83/38/375488338.db2.gz LGTBMAJAILXGJJ-ZIAGYGMSSA-N 1 1 282.428 3.188 20 30 CGEDMO C=CC[NH+](CC=C)[C@@H](CNCc1cncc(F)c1)C(C)C ZINC000494543501 375490266 /nfs/dbraw/zinc/49/02/66/375490266.db2.gz BJQCLYASOCAGJU-KRWDZBQOSA-N 1 1 291.414 3.009 20 30 CGEDMO C=CC[N@H+](C)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000494704481 375491212 /nfs/dbraw/zinc/49/12/12/375491212.db2.gz UVSXCOBYXDHLCI-HNNXBMFYSA-N 1 1 294.398 3.273 20 30 CGEDMO CC(C)CC[N@@H+](C/C=C/c1ccncc1)CCC#N ZINC000494918102 375495897 /nfs/dbraw/zinc/49/58/97/375495897.db2.gz CXFAQXNBHVLIJJ-HWKANZROSA-N 1 1 257.381 3.357 20 30 CGEDMO CC(C)CC[N@H+](C/C=C/c1ccncc1)CCC#N ZINC000494918102 375495901 /nfs/dbraw/zinc/49/59/01/375495901.db2.gz CXFAQXNBHVLIJJ-HWKANZROSA-N 1 1 257.381 3.357 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000495867154 375501417 /nfs/dbraw/zinc/50/14/17/375501417.db2.gz QHUWOSWEUIERIY-UONOGXRCSA-N 1 1 282.428 3.140 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000495746574 375502272 /nfs/dbraw/zinc/50/22/72/375502272.db2.gz MXPDPUXRWNWRFZ-KGLIPLIRSA-N 1 1 282.428 3.188 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000496820967 375558086 /nfs/dbraw/zinc/55/80/86/375558086.db2.gz QBZBKZGRNLWPOH-CQSZACIVSA-N 1 1 282.428 3.189 20 30 CGEDMO Cc1cccc(C)c1OCCC[N@@H+](C)C[C@@H](C)C#N ZINC000497017020 375570835 /nfs/dbraw/zinc/57/08/35/375570835.db2.gz MHAWKJZARHOMSU-ZDUSSCGKSA-N 1 1 260.381 3.164 20 30 CGEDMO Cc1cccc(C)c1OCCC[N@H+](C)C[C@@H](C)C#N ZINC000497017020 375570837 /nfs/dbraw/zinc/57/08/37/375570837.db2.gz MHAWKJZARHOMSU-ZDUSSCGKSA-N 1 1 260.381 3.164 20 30 CGEDMO C=CCCC[N@H+](C)Cc1nccn1-c1ccccc1 ZINC000191383506 375621176 /nfs/dbraw/zinc/62/11/76/375621176.db2.gz JSNARALAACQDEU-UHFFFAOYSA-N 1 1 255.365 3.270 20 30 CGEDMO CC(C)C[C@H]1CCC[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000191411701 375624231 /nfs/dbraw/zinc/62/42/31/375624231.db2.gz DGSUOYLEJOIIKC-CQSZACIVSA-N 1 1 259.397 3.155 20 30 CGEDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191430897 375627914 /nfs/dbraw/zinc/62/79/14/375627914.db2.gz UVCRFHYQCWFNNR-BBRMVZONSA-N 1 1 259.397 3.297 20 30 CGEDMO CC[N@H+]1C[C@@H](C)N(CC#Cc2ccccc2Cl)C[C@H]1C ZINC000498907128 375629011 /nfs/dbraw/zinc/62/90/11/375629011.db2.gz ZRGOFOKRSZCOOV-HUUCEWRRSA-N 1 1 290.838 3.106 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC=C(c3cccnc3)C2)c1 ZINC000336001809 375608399 /nfs/dbraw/zinc/60/83/99/375608399.db2.gz KIDKSXHSEYWKSS-UHFFFAOYSA-N 1 1 275.355 3.243 20 30 CGEDMO CCC[N@@H+](CC1(C#N)CC1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502918634 375648018 /nfs/dbraw/zinc/64/80/18/375648018.db2.gz JDNGIWPKJSEWCA-HNNXBMFYSA-N 1 1 299.418 3.419 20 30 CGEDMO C[N@H+](Cc1cc(C#N)ccc1Br)CC1CC1 ZINC000191776869 375661559 /nfs/dbraw/zinc/66/15/59/375661559.db2.gz HZACTRYJHIMDMK-UHFFFAOYSA-N 1 1 279.181 3.163 20 30 CGEDMO CCc1cc(OC)ccc1C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000502304615 375644752 /nfs/dbraw/zinc/64/47/52/375644752.db2.gz WLNDBLNCBMOLIU-CYBMUJFWSA-N 1 1 272.392 3.382 20 30 CGEDMO CCc1cc(OC)ccc1C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000502304615 375644758 /nfs/dbraw/zinc/64/47/58/375644758.db2.gz WLNDBLNCBMOLIU-CYBMUJFWSA-N 1 1 272.392 3.382 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CCS1 ZINC000192049086 375693580 /nfs/dbraw/zinc/69/35/80/375693580.db2.gz DORUHELWYXXNLT-OAHLLOKOSA-N 1 1 278.396 3.271 20 30 CGEDMO O[C@@H](C[C@@H]1CCC[N@H+]1CC#Cc1ccccc1)c1ccco1 ZINC000192070554 375695993 /nfs/dbraw/zinc/69/59/93/375695993.db2.gz OQWUNSBIRKRCEQ-ROUUACIJSA-N 1 1 295.382 3.219 20 30 CGEDMO CC(C)[N@H+](CC#Cc1ccccc1)CCc1nccs1 ZINC000192129279 375699919 /nfs/dbraw/zinc/69/99/19/375699919.db2.gz HZUQURWYBHHGEB-UHFFFAOYSA-N 1 1 284.428 3.448 20 30 CGEDMO C=CCCCCC[N@H+](C)CCO[C@@H]1CCCCO1 ZINC000193057499 375820520 /nfs/dbraw/zinc/82/05/20/375820520.db2.gz AUDZYZNWMOORBX-OAHLLOKOSA-N 1 1 255.402 3.208 20 30 CGEDMO C[C@@H]1COc2ccccc2C[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000515473109 375812878 /nfs/dbraw/zinc/81/28/78/375812878.db2.gz VORJJQFWFDIACX-OAHLLOKOSA-N 1 1 295.357 3.460 20 30 CGEDMO C[C@@H]1COc2ccccc2C[N@H+]1CC#Cc1ccc(F)cc1 ZINC000515473109 375812880 /nfs/dbraw/zinc/81/28/80/375812880.db2.gz VORJJQFWFDIACX-OAHLLOKOSA-N 1 1 295.357 3.460 20 30 CGEDMO C=C(CC)C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000511759474 375792291 /nfs/dbraw/zinc/79/22/91/375792291.db2.gz UTEBXIOIVNYFOF-KZNAEPCWSA-N 1 1 271.404 3.457 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1ccccc1 ZINC000519506649 375840812 /nfs/dbraw/zinc/84/08/12/375840812.db2.gz YSDWWQOPYWHRQK-UHFFFAOYSA-N 1 1 294.398 3.356 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1ccccc1 ZINC000519506649 375840818 /nfs/dbraw/zinc/84/08/18/375840818.db2.gz YSDWWQOPYWHRQK-UHFFFAOYSA-N 1 1 294.398 3.356 20 30 CGEDMO C=CC[N@H+](Cc1cccnc1C(F)(F)F)C1CC1 ZINC000528432585 375902103 /nfs/dbraw/zinc/90/21/03/375902103.db2.gz QCSWBQRPQHCWTD-UHFFFAOYSA-N 1 1 256.271 3.251 20 30 CGEDMO N#CC1(C[N@@H+]2CCC[C@]3(CCc4ccccc4O3)C2)CC1 ZINC000528732556 375908520 /nfs/dbraw/zinc/90/85/20/375908520.db2.gz ZGAXHLDLKIWPJP-SFHVURJKSA-N 1 1 282.387 3.150 20 30 CGEDMO N#CC1(C[N@H+]2CCC[C@]3(CCc4ccccc4O3)C2)CC1 ZINC000528732556 375908524 /nfs/dbraw/zinc/90/85/24/375908524.db2.gz ZGAXHLDLKIWPJP-SFHVURJKSA-N 1 1 282.387 3.150 20 30 CGEDMO C=CCOCC[N@H+]1CCC[C@]2(CCc3ccccc3O2)C1 ZINC000528727226 375909049 /nfs/dbraw/zinc/90/90/49/375909049.db2.gz FVHXXZQVRPQZAT-SFHVURJKSA-N 1 1 287.403 3.049 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000532378903 375950641 /nfs/dbraw/zinc/95/06/41/375950641.db2.gz LZPQNHWDNZHIFI-CYBMUJFWSA-N 1 1 253.386 3.006 20 30 CGEDMO CC[N@@H+](Cc1cnc(C)cn1)[C@H](C)c1ccc(C#N)cc1 ZINC000336833264 375995055 /nfs/dbraw/zinc/99/50/55/375995055.db2.gz CJSZUXBEDFMPLS-CQSZACIVSA-N 1 1 280.375 3.240 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000535758160 376056716 /nfs/dbraw/zinc/05/67/16/376056716.db2.gz APZMTSGBEWBSBM-QGZVFWFLSA-N 1 1 293.370 3.299 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000535758160 376056718 /nfs/dbraw/zinc/05/67/18/376056718.db2.gz APZMTSGBEWBSBM-QGZVFWFLSA-N 1 1 293.370 3.299 20 30 CGEDMO C=CCN(CC=C)[C@@H](C[NH2+][C@H](C)c1cscn1)C(C)C ZINC000535779655 376057398 /nfs/dbraw/zinc/05/73/98/376057398.db2.gz OWRDIDRHZNUKKZ-ZBFHGGJFSA-N 1 1 293.480 3.492 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000337281061 376188557 /nfs/dbraw/zinc/18/85/57/376188557.db2.gz VXGMHMMDRVHXNQ-HNNXBMFYSA-N 1 1 271.408 3.037 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337281061 376188564 /nfs/dbraw/zinc/18/85/64/376188564.db2.gz VXGMHMMDRVHXNQ-HNNXBMFYSA-N 1 1 271.408 3.037 20 30 CGEDMO C[C@H]1CC[C@@H]([N@@H+](C)CCCC2(C#N)CCOCC2)C1 ZINC000337258021 376171791 /nfs/dbraw/zinc/17/17/91/376171791.db2.gz USTDMERFSBWATP-LSDHHAIUSA-N 1 1 264.413 3.207 20 30 CGEDMO CCC[N@@H+](CCC(C)(C)C#N)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000538466541 376243472 /nfs/dbraw/zinc/24/34/72/376243472.db2.gz LTTCNZLGSIJBJP-ZNMIVQPWSA-N 1 1 278.440 3.452 20 30 CGEDMO C=CC[N@H+](CCOc1cccc(Cl)c1)C1CC1 ZINC000538955676 376281826 /nfs/dbraw/zinc/28/18/26/376281826.db2.gz VILANAKZCFWKIN-UHFFFAOYSA-N 1 1 251.757 3.369 20 30 CGEDMO C=C(CC)C[N@H+](CCC)CC(=O)Nc1ccccc1OC ZINC000539094428 376293300 /nfs/dbraw/zinc/29/33/00/376293300.db2.gz UVVALWCTENBSPN-UHFFFAOYSA-N 1 1 290.407 3.312 20 30 CGEDMO CCn1nccc1CC[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000338549185 376423946 /nfs/dbraw/zinc/42/39/46/376423946.db2.gz NLSSCFFLSGQRLP-HNNXBMFYSA-N 1 1 296.418 3.400 20 30 CGEDMO COc1cc(C[N@H+]2CCSC(C)(C)CC2)ccc1C#N ZINC000231046510 376554374 /nfs/dbraw/zinc/55/43/74/376554374.db2.gz CVLFRVHPQKVCLM-UHFFFAOYSA-N 1 1 290.432 3.284 20 30 CGEDMO Cc1cc(C[NH2+][C@H]2COc3ccc(F)cc32)ccc1C#N ZINC000334305047 206339847 /nfs/dbraw/zinc/33/98/47/206339847.db2.gz GHFMFHSFHYQPFN-INIZCTEOSA-N 1 1 282.318 3.229 20 30 CGEDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000235546295 376644009 /nfs/dbraw/zinc/64/40/09/376644009.db2.gz VKGORSIICJUYHQ-SUMWQHHRSA-N 1 1 290.382 3.213 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)C[C@@H](O)CCc1ccccc1 ZINC000543479493 376649038 /nfs/dbraw/zinc/64/90/38/376649038.db2.gz DSOGZSDRMFAJHA-SFHVURJKSA-N 1 1 299.414 3.304 20 30 CGEDMO CC[C@@H](C)C[N@@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000245537096 376845517 /nfs/dbraw/zinc/84/55/17/376845517.db2.gz XYAZHMONWDIYGW-PBHICJAKSA-N 1 1 299.418 3.032 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000245587427 376862370 /nfs/dbraw/zinc/86/23/70/376862370.db2.gz FGJIVVFEHAVXRB-LSDHHAIUSA-N 1 1 287.469 3.020 20 30 CGEDMO CC(C)[N@@H+]1CCC[C@@H](CN[C@H](C)c2ccc(C#N)cc2)C1 ZINC000245895338 376926579 /nfs/dbraw/zinc/92/65/79/376926579.db2.gz MYUFMWTXMDHLHQ-WBVHZDCISA-N 1 1 285.435 3.329 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H](CN[C@H](C)c2ccc(C#N)cc2)C1 ZINC000245895338 376926587 /nfs/dbraw/zinc/92/65/87/376926587.db2.gz MYUFMWTXMDHLHQ-WBVHZDCISA-N 1 1 285.435 3.329 20 30 CGEDMO C[N@@H+](CCOc1cccc(C#N)c1)[C@@H]1CCC(C)(C)C1 ZINC000558388617 376999544 /nfs/dbraw/zinc/99/95/44/376999544.db2.gz HQLHADWKYUJMAR-OAHLLOKOSA-N 1 1 272.392 3.448 20 30 CGEDMO N#Cc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246901640 377114997 /nfs/dbraw/zinc/11/49/97/377114997.db2.gz RMNNTDWIGOOMHV-PKOBYXMFSA-N 1 1 295.430 3.007 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cc1 ZINC000246901640 377115037 /nfs/dbraw/zinc/11/50/37/377115037.db2.gz RMNNTDWIGOOMHV-PKOBYXMFSA-N 1 1 295.430 3.007 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cc1 ZINC000246901640 377115046 /nfs/dbraw/zinc/11/50/46/377115046.db2.gz RMNNTDWIGOOMHV-PKOBYXMFSA-N 1 1 295.430 3.007 20 30 CGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000246731507 377079030 /nfs/dbraw/zinc/07/90/30/377079030.db2.gz DTNNMILEFAKRGV-DOTOQJQBSA-N 1 1 297.402 3.151 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000561864179 377250493 /nfs/dbraw/zinc/25/04/93/377250493.db2.gz BTQBFBOGKVYTDW-HNNXBMFYSA-N 1 1 267.800 3.141 20 30 CGEDMO C=CCOc1ccccc1CN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000248012433 377258461 /nfs/dbraw/zinc/25/84/61/377258461.db2.gz LKQXFZMWMOTOAR-YQQAZPJKSA-N 1 1 288.435 3.070 20 30 CGEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(C#N)c2F)C1(C)C ZINC000340902040 377312035 /nfs/dbraw/zinc/31/20/35/377312035.db2.gz STTDFFAXBRNEPG-LSDHHAIUSA-N 1 1 290.382 3.333 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)[C@H]2CCCC[C@@H]12 ZINC000248374168 377298811 /nfs/dbraw/zinc/29/88/11/377298811.db2.gz OFLHHHPWVLMWEZ-COXVUDFISA-N 1 1 294.402 3.216 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000248625309 377369885 /nfs/dbraw/zinc/36/98/85/377369885.db2.gz NTOODXMYYXNTDV-UAGQMJEPSA-N 1 1 286.419 3.150 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]Cc1ccc2c(n1)CCC2 ZINC000562685758 377348109 /nfs/dbraw/zinc/34/81/09/377348109.db2.gz CSXRYQWFFHKVRK-UHFFFAOYSA-N 1 1 294.398 3.425 20 30 CGEDMO C=CCCCC[N@@H+]1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000568951232 377525190 /nfs/dbraw/zinc/52/51/90/377525190.db2.gz HVIHWZKEEWBWLY-SFHVURJKSA-N 1 1 272.436 3.201 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000249513077 377510297 /nfs/dbraw/zinc/51/02/97/377510297.db2.gz WIPPPJOBFZYSGP-KGLIPLIRSA-N 1 1 292.398 3.289 20 30 CGEDMO N#CCC[NH2+][C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000570795377 377539672 /nfs/dbraw/zinc/53/96/72/377539672.db2.gz RTQADNXZBBVEIQ-PWSUYJOCSA-N 1 1 254.255 3.065 20 30 CGEDMO C=CCCCC[N@@H+](C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000569308030 377528134 /nfs/dbraw/zinc/52/81/34/377528134.db2.gz XNZWRLAXMMVVBF-GJZGRUSLSA-N 1 1 269.454 3.329 20 30 CGEDMO CC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1C(C)(C)C#N ZINC000569788626 377528746 /nfs/dbraw/zinc/52/87/46/377528746.db2.gz MSRYGFHOXFWUKN-MRXNPFEDSA-N 1 1 285.435 3.014 20 30 CGEDMO CC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000569788626 377528753 /nfs/dbraw/zinc/52/87/53/377528753.db2.gz MSRYGFHOXFWUKN-MRXNPFEDSA-N 1 1 285.435 3.014 20 30 CGEDMO CC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000569788626 377528759 /nfs/dbraw/zinc/52/87/59/377528759.db2.gz MSRYGFHOXFWUKN-MRXNPFEDSA-N 1 1 285.435 3.014 20 30 CGEDMO CCC[C@@]1(CO)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000573479051 377557613 /nfs/dbraw/zinc/55/76/13/377557613.db2.gz GPSWGWRJLYXTDH-QGZVFWFLSA-N 1 1 291.822 3.176 20 30 CGEDMO CCC[C@@]1(CO)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000573479051 377557627 /nfs/dbraw/zinc/55/76/27/377557627.db2.gz GPSWGWRJLYXTDH-QGZVFWFLSA-N 1 1 291.822 3.176 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@H+](C)[C@@H](C)C2CC2)c1C ZINC000177579753 542191815 /nfs/dbraw/zinc/19/18/15/542191815.db2.gz WZMUYQNEAMBSCY-ZDUSSCGKSA-N 1 1 274.408 3.204 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCCCNc1cccc(C#N)n1 ZINC000265532550 190188569 /nfs/dbraw/zinc/18/85/69/190188569.db2.gz NRUYPBZASNRGCS-CQSZACIVSA-N 1 1 272.396 3.020 20 30 CGEDMO Cc1cc(SCC[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1C#N ZINC000573935720 377597197 /nfs/dbraw/zinc/59/71/97/377597197.db2.gz NTXWQMCEBHCGLB-KBPBESRZSA-N 1 1 290.432 3.068 20 30 CGEDMO C=CC[NH+](CC=C)[C@H](CN[C@@H](C)c1c[nH]nc1C)C(C)C ZINC000180091478 542206317 /nfs/dbraw/zinc/20/63/17/542206317.db2.gz HDJKXIVPIJOPPX-WMLDXEAASA-N 1 1 290.455 3.067 20 30 CGEDMO CCC[N@@H+](CC)C[C@@H](C)Nc1ccc(C#N)cc1F ZINC000573973989 377602370 /nfs/dbraw/zinc/60/23/70/377602370.db2.gz RDJWYYJLLWGEQE-GFCCVEGCSA-N 1 1 263.360 3.230 20 30 CGEDMO C=CC[C@@H](CC)NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000341657043 377610234 /nfs/dbraw/zinc/61/02/34/377610234.db2.gz VDMOCNPXLCLEGD-IAGOWNOFSA-N 1 1 286.419 3.122 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1F)C[C@H]1CCCOC1 ZINC000342616528 377692408 /nfs/dbraw/zinc/69/24/08/377692408.db2.gz NBKZVOIIQLUYDU-CQSZACIVSA-N 1 1 263.356 3.240 20 30 CGEDMO C=C(CC)C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253096782 377676038 /nfs/dbraw/zinc/67/60/38/377676038.db2.gz QVHYERCIJDTTHD-ARFHVFGLSA-N 1 1 251.414 3.358 20 30 CGEDMO C=CCOCCC[N@H+]1CCc2ccccc2C1(C)C ZINC000574891925 377721420 /nfs/dbraw/zinc/72/14/20/377721420.db2.gz APOBTHRAKNHLMW-UHFFFAOYSA-N 1 1 259.393 3.373 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@H](OCCCc3ccccc3)C2)C1 ZINC000575022536 377739042 /nfs/dbraw/zinc/73/90/42/377739042.db2.gz HERTZSWNLLDUCZ-QYZOEREBSA-N 1 1 298.430 3.402 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1SC ZINC000342766100 377780427 /nfs/dbraw/zinc/78/04/27/377780427.db2.gz SDDMVOIKUBQJON-GFCCVEGCSA-N 1 1 278.421 3.243 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)N(CC)[C@H](C)c1ccc(F)cc1 ZINC000342718038 377753156 /nfs/dbraw/zinc/75/31/56/377753156.db2.gz HGXKGQZOUNQYRD-CQSZACIVSA-N 1 1 292.398 3.243 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000342722807 377755784 /nfs/dbraw/zinc/75/57/84/377755784.db2.gz BGVNFHDRHSFAPU-JTQLQIEISA-N 1 1 284.762 3.314 20 30 CGEDMO C[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1ccccn1 ZINC000181775831 542220969 /nfs/dbraw/zinc/22/09/69/542220969.db2.gz HEXGGSQZUCHPKO-CYBMUJFWSA-N 1 1 270.763 3.437 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000342738043 377764114 /nfs/dbraw/zinc/76/41/14/377764114.db2.gz RWXXVEPWIMOCDU-LLVKDONJSA-N 1 1 266.772 3.175 20 30 CGEDMO C=CCC[N@H+](C)Cc1nc2ccc(OC)cc2s1 ZINC000342742385 377768491 /nfs/dbraw/zinc/76/84/91/377768491.db2.gz VPPYJIYVXSXRTM-UHFFFAOYSA-N 1 1 262.378 3.313 20 30 CGEDMO C[C@@H](CNCc1ccc(C#N)cc1F)[N@H+]1CCCC[C@H]1C ZINC000343281587 377946127 /nfs/dbraw/zinc/94/61/27/377946127.db2.gz FEILWQIEXRLXNR-KGLIPLIRSA-N 1 1 289.398 3.050 20 30 CGEDMO C[C@@H](C[NH2+]Cc1ccc(C#N)cc1F)N1CCCC[C@H]1C ZINC000343281587 377946131 /nfs/dbraw/zinc/94/61/31/377946131.db2.gz FEILWQIEXRLXNR-KGLIPLIRSA-N 1 1 289.398 3.050 20 30 CGEDMO C[C@H](CNCc1ccc(C#N)cc1F)[N@H+]1CCCC[C@H]1C ZINC000343281589 377946557 /nfs/dbraw/zinc/94/65/57/377946557.db2.gz FEILWQIEXRLXNR-ZIAGYGMSSA-N 1 1 289.398 3.050 20 30 CGEDMO C[C@H](C[NH2+]Cc1ccc(C#N)cc1F)N1CCCC[C@H]1C ZINC000343281589 377946562 /nfs/dbraw/zinc/94/65/62/377946562.db2.gz FEILWQIEXRLXNR-ZIAGYGMSSA-N 1 1 289.398 3.050 20 30 CGEDMO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(CC#N)cc2)C[C@H]1C ZINC000343539795 378012172 /nfs/dbraw/zinc/01/21/72/378012172.db2.gz QCQXFUCKVZCCIO-CRAIPNDOSA-N 1 1 285.435 3.057 20 30 CGEDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(CC#N)cc2)C[C@H]1C ZINC000343539795 378012176 /nfs/dbraw/zinc/01/21/76/378012176.db2.gz QCQXFUCKVZCCIO-CRAIPNDOSA-N 1 1 285.435 3.057 20 30 CGEDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(CC#N)cc2)C[C@H]1C ZINC000343539795 378012179 /nfs/dbraw/zinc/01/21/79/378012179.db2.gz QCQXFUCKVZCCIO-CRAIPNDOSA-N 1 1 285.435 3.057 20 30 CGEDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(CC#N)cc2)C[C@H]1C ZINC000343539795 378012186 /nfs/dbraw/zinc/01/21/86/378012186.db2.gz QCQXFUCKVZCCIO-CRAIPNDOSA-N 1 1 285.435 3.057 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc(OC)cc2c1O[C@H](C)C2 ZINC000343460686 377987218 /nfs/dbraw/zinc/98/72/18/377987218.db2.gz FROIPRBASVHSOE-GFCCVEGCSA-N 1 1 261.365 3.027 20 30 CGEDMO C=CCC(CC=C)C(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000343615237 378041882 /nfs/dbraw/zinc/04/18/82/378041882.db2.gz RCSHECWBCXLKHW-GOEBONIOSA-N 1 1 278.440 3.086 20 30 CGEDMO CCC[N@@H+](CC)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000343646253 378052209 /nfs/dbraw/zinc/05/22/09/378052209.db2.gz KYNKCRRYUMKILV-ISXOHVOVSA-N 1 1 293.455 3.038 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccc(OC)cc1 ZINC000268527895 378071598 /nfs/dbraw/zinc/07/15/98/378071598.db2.gz DQIDJERRJDVNJU-RDJZCZTQSA-N 1 1 275.392 3.159 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000268565801 378075231 /nfs/dbraw/zinc/07/52/31/378075231.db2.gz PZXKNICMAYOGQB-YPMHNXCESA-N 1 1 269.335 3.285 20 30 CGEDMO C[C@H]1CC[C@H]([N@H+](CC#Cc2ccccc2Cl)CCO)C1 ZINC000577903898 378022773 /nfs/dbraw/zinc/02/27/73/378022773.db2.gz QKSSNYMEZAOKRD-HOCLYGCPSA-N 1 1 291.822 3.174 20 30 CGEDMO C[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000266543865 378023527 /nfs/dbraw/zinc/02/35/27/378023527.db2.gz IZMMXDSIUGMWKZ-KBPBESRZSA-N 1 1 258.365 3.209 20 30 CGEDMO C=CCC(CC=C)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000343928387 378135521 /nfs/dbraw/zinc/13/55/21/378135521.db2.gz BMNRYWYKPJAJOF-HUUCEWRRSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCCCCCN[C@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000579977388 378213991 /nfs/dbraw/zinc/21/39/91/378213991.db2.gz CPQBAMULUBETJQ-INIZCTEOSA-N 1 1 288.370 3.369 20 30 CGEDMO C=CCn1c(C)cc(C(=O)Cn2cc[nH+]c2CCC)c1C ZINC000269372690 378213977 /nfs/dbraw/zinc/21/39/77/378213977.db2.gz PUWGYMGWUZGQIZ-UHFFFAOYSA-N 1 1 285.391 3.323 20 30 CGEDMO CC1(C)CCCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000580080538 378222131 /nfs/dbraw/zinc/22/21/31/378222131.db2.gz HFNXUSGABITDDR-UHFFFAOYSA-N 1 1 287.363 3.479 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccccc1OCc1ccccn1 ZINC000271159500 378466706 /nfs/dbraw/zinc/46/67/06/378466706.db2.gz WYTXIMUVWDKEIU-UHFFFAOYSA-N 1 1 280.371 3.116 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000270976029 378420870 /nfs/dbraw/zinc/42/08/70/378420870.db2.gz BLLUUPIQHLVFRL-UONOGXRCSA-N 1 1 263.406 3.049 20 30 CGEDMO C#CCCC[N@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000271025386 378430024 /nfs/dbraw/zinc/43/00/24/378430024.db2.gz JWXSAMGPVIYNEF-IEBWSBKVSA-N 1 1 284.447 3.385 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000271027209 378432321 /nfs/dbraw/zinc/43/23/21/378432321.db2.gz KKHAJOSHRDAMLV-HNNXBMFYSA-N 1 1 273.351 3.134 20 30 CGEDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000271495550 378495377 /nfs/dbraw/zinc/49/53/77/378495377.db2.gz IMWSBOFIVIOCSG-ZFWWWQNUSA-N 1 1 258.365 3.352 20 30 CGEDMO CC(C)N1CCC([NH2+][C@@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000271921857 378518020 /nfs/dbraw/zinc/51/80/20/378518020.db2.gz FHFDAWQJOORODQ-ZDUSSCGKSA-N 1 1 289.398 3.221 20 30 CGEDMO C=C(CN[C@@H]1CC[N@@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000346774758 378688152 /nfs/dbraw/zinc/68/81/52/378688152.db2.gz GZEKDULBGHLKET-DOTOQJQBSA-N 1 1 258.409 3.020 20 30 CGEDMO C=C(CN[C@@H]1CC[N@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000346774758 378688157 /nfs/dbraw/zinc/68/81/57/378688157.db2.gz GZEKDULBGHLKET-DOTOQJQBSA-N 1 1 258.409 3.020 20 30 CGEDMO C=C(C[NH2+][C@@H]1CCN(CC)C[C@@H]1C)c1ccccc1 ZINC000346774758 378688162 /nfs/dbraw/zinc/68/81/62/378688162.db2.gz GZEKDULBGHLKET-DOTOQJQBSA-N 1 1 258.409 3.020 20 30 CGEDMO C=CCOCCCN1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000348026636 378758138 /nfs/dbraw/zinc/75/81/38/378758138.db2.gz FGWOYLVQAVQKAH-QZTJIDSGSA-N 1 1 294.483 3.166 20 30 CGEDMO C=CCOCCCN1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000348026636 378758147 /nfs/dbraw/zinc/75/81/47/378758147.db2.gz FGWOYLVQAVQKAH-QZTJIDSGSA-N 1 1 294.483 3.166 20 30 CGEDMO CCO[C@H]1C[C@H]([N@@H+](C)CC2(C#N)CC2)C1(CC)CC ZINC000347479065 378720142 /nfs/dbraw/zinc/72/01/42/378720142.db2.gz MLOPMLNQZMHNSG-KBPBESRZSA-N 1 1 264.413 3.206 20 30 CGEDMO CC(C)Oc1ccc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1C#N ZINC000272926170 378724139 /nfs/dbraw/zinc/72/41/39/378724139.db2.gz USFPFBJOJUJONQ-IRXDYDNUSA-N 1 1 299.418 3.384 20 30 CGEDMO C=CCOCCC[N@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000348044064 378764495 /nfs/dbraw/zinc/76/44/95/378764495.db2.gz YPVJWCQRHDOATF-VBKZILBWSA-N 1 1 295.448 3.010 20 30 CGEDMO C=CCOCCC[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000348048247 378765804 /nfs/dbraw/zinc/76/58/04/378765804.db2.gz KUCWCFXWUUWNIZ-UHFFFAOYSA-N 1 1 297.402 3.245 20 30 CGEDMO C=C(CC)C[N@@H+]1CCC[C@H]1c1nc(C(=O)OC)c(C)s1 ZINC000348305992 378897285 /nfs/dbraw/zinc/89/72/85/378897285.db2.gz LJTFDPWUBAZREJ-LBPRGKRZSA-N 1 1 294.420 3.341 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@H]1c1nc(C(=O)OC)c(C)s1 ZINC000348305992 378897290 /nfs/dbraw/zinc/89/72/90/378897290.db2.gz LJTFDPWUBAZREJ-LBPRGKRZSA-N 1 1 294.420 3.341 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2c(C)cnn2C)CCCC1(C)C ZINC000348360840 378927638 /nfs/dbraw/zinc/92/76/38/378927638.db2.gz AZKSQEJXALPDMF-HNNXBMFYSA-N 1 1 261.413 3.295 20 30 CGEDMO C=CCC[C@H](C)[NH2+]Cc1noc(-c2ccccc2C)n1 ZINC000276793306 378997722 /nfs/dbraw/zinc/99/77/22/378997722.db2.gz UFAXGHUIYUXKFF-ZDUSSCGKSA-N 1 1 271.364 3.489 20 30 CGEDMO C=C1CC[NH+](Cc2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000276962174 379032095 /nfs/dbraw/zinc/03/20/95/379032095.db2.gz VTSCYKVVKYSDMS-UHFFFAOYSA-N 1 1 276.336 3.146 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2nnc(CC)o2)CCCC1(C)C ZINC000277905938 379261971 /nfs/dbraw/zinc/26/19/71/379261971.db2.gz XAQMAYCVRJAFCX-GFCCVEGCSA-N 1 1 263.385 3.199 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)cc1C#N ZINC000373810638 379335912 /nfs/dbraw/zinc/33/59/12/379335912.db2.gz CVVGKSIHMWVYNF-QGZVFWFLSA-N 1 1 297.377 3.243 20 30 CGEDMO CO[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000374682412 379472963 /nfs/dbraw/zinc/47/29/63/379472963.db2.gz ZLLOCZCENPHLEV-MRXNPFEDSA-N 1 1 277.795 3.192 20 30 CGEDMO CC(C)(C)[C@@H]1CC[N@@H+](CC(C)(C)CCC#N)C[C@@H]1O ZINC000350008451 379474944 /nfs/dbraw/zinc/47/49/44/379474944.db2.gz NVYAFOPFXUGXOO-KGLIPLIRSA-N 1 1 266.429 3.045 20 30 CGEDMO CSc1ccccc1C[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000279728364 379502648 /nfs/dbraw/zinc/50/26/48/379502648.db2.gz VOLNLIWODBKAGY-UHFFFAOYSA-N 1 1 285.416 3.251 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(C2CCC2)no1 ZINC000639863240 379611999 /nfs/dbraw/zinc/61/19/99/379611999.db2.gz FTOGJFDWHOVORC-BETUJISGSA-N 1 1 259.353 3.020 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(C2CCC2)no1 ZINC000639863240 379612001 /nfs/dbraw/zinc/61/20/01/379612001.db2.gz FTOGJFDWHOVORC-BETUJISGSA-N 1 1 259.353 3.020 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](Cc1ccccc1F)C(C)C ZINC000351638606 379733513 /nfs/dbraw/zinc/73/35/13/379733513.db2.gz MJJGYQVYEGNJPY-OAHLLOKOSA-N 1 1 265.372 3.363 20 30 CGEDMO C[C@@H]1CC[C@H]([N@@H+](CCO)CCCCC(C)(C)C#N)C1 ZINC000351638954 379733756 /nfs/dbraw/zinc/73/37/56/379733756.db2.gz YUFNEXRMOGZJSD-CABCVRRESA-N 1 1 266.429 3.189 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000267455102 190331604 /nfs/dbraw/zinc/33/16/04/190331604.db2.gz OZKSXTTZTNMLTI-OLZOCXBDSA-N 1 1 251.395 3.212 20 30 CGEDMO Cc1cc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)ccc1C#N ZINC000352441559 379817141 /nfs/dbraw/zinc/81/71/41/379817141.db2.gz ZAVZWOAFSOUOSE-MSOLQXFVSA-N 1 1 296.414 3.400 20 30 CGEDMO N#CCCC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000399492725 379941414 /nfs/dbraw/zinc/94/14/14/379941414.db2.gz VKAWSQCBKWRDEN-UHFFFAOYSA-N 1 1 271.339 3.213 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000267813529 190356490 /nfs/dbraw/zinc/35/64/90/190356490.db2.gz NJEUQYAVMLZWLG-SFHVURJKSA-N 1 1 292.382 3.446 20 30 CGEDMO CC(C)[C@H]1C[N@H+](Cc2cccc(C#N)c2F)CCS1 ZINC000352893169 380022450 /nfs/dbraw/zinc/02/24/50/380022450.db2.gz NDVOSKRNJSQSAO-CQSZACIVSA-N 1 1 278.396 3.271 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](Cc2cccc(C#N)c2F)CCS1 ZINC000352893169 380022456 /nfs/dbraw/zinc/02/24/56/380022456.db2.gz NDVOSKRNJSQSAO-CQSZACIVSA-N 1 1 278.396 3.271 20 30 CGEDMO CN(CCC1(C#N)CCCCC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000411261820 380135652 /nfs/dbraw/zinc/13/56/52/380135652.db2.gz QGWWXDQILWWWHO-INIZCTEOSA-N 1 1 275.440 3.019 20 30 CGEDMO C[N@H+](CCC1(C#N)CCCCC1)[C@H]1CCN(C2CC2)C1 ZINC000411261820 380135658 /nfs/dbraw/zinc/13/56/58/380135658.db2.gz QGWWXDQILWWWHO-INIZCTEOSA-N 1 1 275.440 3.019 20 30 CGEDMO C[N@@H+](CCC1(C#N)CCCCC1)[C@H]1CCN(C2CC2)C1 ZINC000411261820 380135665 /nfs/dbraw/zinc/13/56/65/380135665.db2.gz QGWWXDQILWWWHO-INIZCTEOSA-N 1 1 275.440 3.019 20 30 CGEDMO CC[N@@H+](CCC1(C#N)CCCCC1)Cc1cnn(C)c1 ZINC000411210267 380135933 /nfs/dbraw/zinc/13/59/33/380135933.db2.gz DQDTXTWTBHBLTE-UHFFFAOYSA-N 1 1 274.412 3.106 20 30 CGEDMO N#CC1(CCN2CC[C@@H](C[NH+]3CCCC3)C2)CCCCC1 ZINC000411285095 380138078 /nfs/dbraw/zinc/13/80/78/380138078.db2.gz QNSYYFMZVMJUHQ-KRWDZBQOSA-N 1 1 289.467 3.268 20 30 CGEDMO C[C@H]([NH2+]CCC#N)c1cccc(OC(F)(F)F)c1 ZINC000411474761 380146563 /nfs/dbraw/zinc/14/65/63/380146563.db2.gz MOGJNILTOIAKIN-VIFPVBQESA-N 1 1 258.243 3.149 20 30 CGEDMO C[C@]1(CCCO)CCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411439496 380146713 /nfs/dbraw/zinc/14/67/13/380146713.db2.gz MVWZBNTWJNTSLB-MRXNPFEDSA-N 1 1 278.440 3.478 20 30 CGEDMO COc1ccc(C[C@H](C)C[N@@H+](C)[C@H](C)CCC#N)cc1 ZINC000411415493 380147146 /nfs/dbraw/zinc/14/71/46/380147146.db2.gz NODADNPYLQWBNJ-LSDHHAIUSA-N 1 1 274.408 3.498 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000268158511 190381639 /nfs/dbraw/zinc/38/16/39/190381639.db2.gz MQPXSDXAQZYRHH-GOSISDBHSA-N 1 1 298.430 3.270 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000268158511 190381640 /nfs/dbraw/zinc/38/16/40/190381640.db2.gz MQPXSDXAQZYRHH-GOSISDBHSA-N 1 1 298.430 3.270 20 30 CGEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)CCC#N ZINC000411194039 380134023 /nfs/dbraw/zinc/13/40/23/380134023.db2.gz PDPDPXQLSXXNDV-ZDUSSCGKSA-N 1 1 273.336 3.275 20 30 CGEDMO C[C@H](CN[C@@H]1CCc2ccc(C#N)cc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000353386194 380204705 /nfs/dbraw/zinc/20/47/05/380204705.db2.gz NAHGCFUTJFFMCQ-SPYBWZPUSA-N 1 1 297.446 3.256 20 30 CGEDMO C[C@H](CN[C@@H]1CCc2ccc(C#N)cc21)[N@H+]1CCC[C@@H](C)C1 ZINC000353386194 380204707 /nfs/dbraw/zinc/20/47/07/380204707.db2.gz NAHGCFUTJFFMCQ-SPYBWZPUSA-N 1 1 297.446 3.256 20 30 CGEDMO COc1cc(C[NH2+]Cc2c(F)cccc2F)ccc1C#N ZINC000353240664 380184090 /nfs/dbraw/zinc/18/40/90/380184090.db2.gz JNRGVYALWKWRAM-UHFFFAOYSA-N 1 1 288.297 3.135 20 30 CGEDMO CC(C)Cn1ccnc1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353242824 380185756 /nfs/dbraw/zinc/18/57/56/380185756.db2.gz OQOTXJOSMCKPER-QGZVFWFLSA-N 1 1 294.402 3.188 20 30 CGEDMO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2ccc(C#N)cc2F)C1(C)C ZINC000353948068 380249481 /nfs/dbraw/zinc/24/94/81/380249481.db2.gz RFFXJMPVJUAWQT-DOTOQJQBSA-N 1 1 290.382 3.333 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1cccnc1 ZINC000353962945 380256133 /nfs/dbraw/zinc/25/61/33/380256133.db2.gz XATCJZNKMFSALZ-QZTJIDSGSA-N 1 1 277.371 3.353 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1cccnc1 ZINC000353962945 380256137 /nfs/dbraw/zinc/25/61/37/380256137.db2.gz XATCJZNKMFSALZ-QZTJIDSGSA-N 1 1 277.371 3.353 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@@H]2Cc2ccccc2)c1 ZINC000353998922 380272441 /nfs/dbraw/zinc/27/24/41/380272441.db2.gz YYFBDMNECYNGSF-GOSISDBHSA-N 1 1 262.356 3.375 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C[C@H]1C[C@@H]1c1ccccc1)C1CC1 ZINC000354034522 380289360 /nfs/dbraw/zinc/28/93/60/380289360.db2.gz ROOVGNCXWNWPEV-FRFSOERESA-N 1 1 254.377 3.414 20 30 CGEDMO C=CCc1cc(C[N@H+](C)CC(C)(C)C#N)cc(OC)c1O ZINC000354035808 380293140 /nfs/dbraw/zinc/29/31/40/380293140.db2.gz FGTNEJWPMWIDNV-UHFFFAOYSA-N 1 1 288.391 3.111 20 30 CGEDMO C=CCc1cc(C[N@@H+](C)CC(C)(C)C#N)cc(OC)c1O ZINC000354035808 380293147 /nfs/dbraw/zinc/29/31/47/380293147.db2.gz FGTNEJWPMWIDNV-UHFFFAOYSA-N 1 1 288.391 3.111 20 30 CGEDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CC1(C)C ZINC000354041769 380294650 /nfs/dbraw/zinc/29/46/50/380294650.db2.gz CZVOMCAKWWASIE-CQSZACIVSA-N 1 1 299.418 3.255 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCC[C@@H]1C ZINC000355683731 380750502 /nfs/dbraw/zinc/75/05/02/380750502.db2.gz OABGLMNUFPMFMB-YOEHRIQHSA-N 1 1 272.392 3.195 20 30 CGEDMO C=CCCC[C@@H](C)NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000355790474 380780105 /nfs/dbraw/zinc/78/01/05/380780105.db2.gz ZFOPLSWPIBHJKN-HUUCEWRRSA-N 1 1 266.429 3.112 20 30 CGEDMO C[C@@H]1CCSCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000279224023 194340667 /nfs/dbraw/zinc/34/06/67/194340667.db2.gz IMCBVSHMQFHXEX-CYBMUJFWSA-N 1 1 285.416 3.138 20 30 CGEDMO CC[N@@H+](CCOc1ccccc1C)Cc1cc(C#N)n(C)c1 ZINC000421379076 380919691 /nfs/dbraw/zinc/91/96/91/380919691.db2.gz INFFNTWRQNRYJX-UHFFFAOYSA-N 1 1 297.402 3.106 20 30 CGEDMO N#Cc1ccc2ncc(C[N@H+]3CC[C@@H](C4CCCC4)C3)n2c1 ZINC000421395766 380945663 /nfs/dbraw/zinc/94/56/63/380945663.db2.gz VJHNFEPSHKIJBT-MRXNPFEDSA-N 1 1 294.402 3.218 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000357040619 381007313 /nfs/dbraw/zinc/00/73/13/381007313.db2.gz OFVNUJOBBMUMJW-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2cccnc2C#N)C1 ZINC000357172692 381051937 /nfs/dbraw/zinc/05/19/37/381051937.db2.gz NBZPJGCMXCRRMS-HOCLYGCPSA-N 1 1 292.386 3.201 20 30 CGEDMO N#Cc1cc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)ccc1F ZINC000334804506 207106145 /nfs/dbraw/zinc/10/61/45/207106145.db2.gz BZFZGNWMZNRKHP-WMZOPIPTSA-N 1 1 296.345 3.005 20 30 CGEDMO N#Cc1cc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)ccc1F ZINC000334804506 207106149 /nfs/dbraw/zinc/10/61/49/207106149.db2.gz BZFZGNWMZNRKHP-WMZOPIPTSA-N 1 1 296.345 3.005 20 30 CGEDMO C=C(CC)C[N@H+]1CCc2c(ccc(OC)c2OC)C1 ZINC000358825188 381327985 /nfs/dbraw/zinc/32/79/85/381327985.db2.gz FLBJEUAVNMMRHV-UHFFFAOYSA-N 1 1 261.365 3.028 20 30 CGEDMO CCOc1ccc(C[NH2+][C@@H](CC)CC#N)cc1OCC ZINC000184086670 262008017 /nfs/dbraw/zinc/00/80/17/262008017.db2.gz NIAPFZSIRKNWAD-AWEZNQCLSA-N 1 1 276.380 3.266 20 30 CGEDMO C=CC[N@H+](CCC1CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000360061430 381431143 /nfs/dbraw/zinc/43/11/43/381431143.db2.gz BKNMGIIKPFNFJV-UHFFFAOYSA-N 1 1 260.337 3.383 20 30 CGEDMO CC(C)[N@@H+](CCCCC(C)(C)C#N)[C@@H]1CCOC1 ZINC000361409020 381735541 /nfs/dbraw/zinc/73/55/41/381735541.db2.gz RVWSBBYUHHSWIO-CQSZACIVSA-N 1 1 252.402 3.206 20 30 CGEDMO COCC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@@H]1CC[C@@H](C)C1 ZINC000362166025 381894386 /nfs/dbraw/zinc/89/43/86/381894386.db2.gz WZINKWJPUAVANM-CZUORRHYSA-N 1 1 290.382 3.334 20 30 CGEDMO Cn1nccc1[C@@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000369001133 382384926 /nfs/dbraw/zinc/38/49/26/382384926.db2.gz KSENIYAKTOLQGB-OAHLLOKOSA-N 1 1 288.439 3.320 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1 ZINC000281001883 195063973 /nfs/dbraw/zinc/06/39/73/195063973.db2.gz MTOKITXAOOVVLC-OTWHNJEPSA-N 1 1 298.430 3.464 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)c1F ZINC000335381900 208327175 /nfs/dbraw/zinc/32/71/75/208327175.db2.gz WUUNPUHDOMWAEQ-JKSUJKDBSA-N 1 1 288.366 3.088 20 30 CGEDMO C[C@@H]1[C@H](Nc2ncccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000288289387 197044551 /nfs/dbraw/zinc/04/45/51/197044551.db2.gz RUKMAJYNBUNOPI-RHSMWYFYSA-N 1 1 292.386 3.028 20 30 CGEDMO CC(C)(C)C1=CC[N@@H+](CCCSCC#N)CC1 ZINC000336726883 262384936 /nfs/dbraw/zinc/38/49/36/262384936.db2.gz XBGUIYVUERKPOZ-UHFFFAOYSA-N 1 1 252.427 3.311 20 30 CGEDMO COc1ccc(C#N)cc1C[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000440287370 533269702 /nfs/dbraw/zinc/26/97/02/533269702.db2.gz ZHSUVNMNOJOLHQ-UHFFFAOYSA-N 1 1 296.345 3.485 20 30 CGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC(C)(C)C[C@H]1C ZINC000412018649 533339803 /nfs/dbraw/zinc/33/98/03/533339803.db2.gz CAMFHAFWNDYLQX-OLZOCXBDSA-N 1 1 285.391 3.006 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC1(N(C)C)CCC1 ZINC000190048079 130054245 /nfs/dbraw/zinc/05/42/45/130054245.db2.gz MPCBOAIPZSSEJZ-AWEZNQCLSA-N 1 1 271.408 3.035 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC1(N(C)C)CCC1 ZINC000190048079 130054247 /nfs/dbraw/zinc/05/42/47/130054247.db2.gz MPCBOAIPZSSEJZ-AWEZNQCLSA-N 1 1 271.408 3.035 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H](C)S1 ZINC000070383171 392182420 /nfs/dbraw/zinc/18/24/20/392182420.db2.gz NLLQFUSAIULEIL-PHIMTYICSA-N 1 1 264.369 3.023 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H](C)S1 ZINC000070383171 392182422 /nfs/dbraw/zinc/18/24/22/392182422.db2.gz NLLQFUSAIULEIL-PHIMTYICSA-N 1 1 264.369 3.023 20 30 CGEDMO N#CCN1CC[NH+](Cc2cc(-c3ccccc3)cs2)CC1 ZINC000092936468 392233053 /nfs/dbraw/zinc/23/30/53/392233053.db2.gz DAFUUEMIDOALRG-UHFFFAOYSA-N 1 1 297.427 3.056 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C)c1 ZINC000282234596 392285771 /nfs/dbraw/zinc/28/57/71/392285771.db2.gz ISSVINZBRXKTQX-GDBMZVCRSA-N 1 1 275.392 3.251 20 30 CGEDMO CO[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000282371950 392289587 /nfs/dbraw/zinc/28/95/87/392289587.db2.gz NXJXHODDDGMKPZ-XJKSGUPXSA-N 1 1 277.795 3.191 20 30 CGEDMO C=CCN1CCC([NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000237562096 131041957 /nfs/dbraw/zinc/04/19/57/131041957.db2.gz PLEGYQBQXGCIIB-BBRMVZONSA-N 1 1 274.408 3.143 20 30 CGEDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)CCOc1ccccc1C#N ZINC000109782266 392375724 /nfs/dbraw/zinc/37/57/24/392375724.db2.gz SWPBTFMFAATWTI-AWEZNQCLSA-N 1 1 296.370 3.336 20 30 CGEDMO C=CCCC[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000286213282 392378963 /nfs/dbraw/zinc/37/89/63/392378963.db2.gz YLBAQNYYUNTCQH-KZNAEPCWSA-N 1 1 271.404 3.457 20 30 CGEDMO Cc1cccnc1[C@H]([NH2+]C[C@H](C#N)CCC#N)C(C)C ZINC000121937994 392417899 /nfs/dbraw/zinc/41/78/99/392417899.db2.gz CUSQOJZRIQEECN-LSDHHAIUSA-N 1 1 270.380 3.120 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC[C@H]2c2ccncc2)cc1 ZINC000289816605 392432935 /nfs/dbraw/zinc/43/29/35/392432935.db2.gz NWOOGOYWGFEZNV-IBGZPJMESA-N 1 1 292.382 3.431 20 30 CGEDMO CCC[N@@H+](CCCC#N)[C@@H]1C[C@H](OCC)C1(C)C ZINC000121071197 392406494 /nfs/dbraw/zinc/40/64/94/392406494.db2.gz HZMHNNWSWOSXFZ-KGLIPLIRSA-N 1 1 252.402 3.206 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)Nc1nc2ccccc2s1 ZINC000121151529 392409296 /nfs/dbraw/zinc/40/92/96/392409296.db2.gz OPUIJNQWCUQJFX-UHFFFAOYSA-N 1 1 289.404 3.133 20 30 CGEDMO CC#CCC[N@H+](Cc1cccc(OC)c1)C[C@H]1CCCO1 ZINC000155225480 392540062 /nfs/dbraw/zinc/54/00/62/392540062.db2.gz ZNVDTPIWNJDAJP-GOSISDBHSA-N 1 1 287.403 3.090 20 30 CGEDMO C=CCCCCC[N@@H+](C)CCS(=O)(=O)c1ccccc1 ZINC000150876966 392482251 /nfs/dbraw/zinc/48/22/51/392482251.db2.gz TZARPUJSOSOSPM-UHFFFAOYSA-N 1 1 295.448 3.139 20 30 CGEDMO C=CCCCCC[N@H+](C)CCS(=O)(=O)c1ccccc1 ZINC000150876966 392482254 /nfs/dbraw/zinc/48/22/54/392482254.db2.gz TZARPUJSOSOSPM-UHFFFAOYSA-N 1 1 295.448 3.139 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000373914240 392665066 /nfs/dbraw/zinc/66/50/66/392665066.db2.gz VIJGLMHAUVTAHA-CAOSSQGBSA-N 1 1 251.414 3.214 20 30 CGEDMO Clc1ccc(C#CC[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000374410277 392677448 /nfs/dbraw/zinc/67/74/48/392677448.db2.gz GTALLMVMSOSWQV-HZPDHXFCSA-N 1 1 289.806 3.050 20 30 CGEDMO CC(C)[N@@H+](CC(=O)NC1(C#N)CCC1)C1CCCC1 ZINC000329253984 392678783 /nfs/dbraw/zinc/67/87/83/392678783.db2.gz ZOTGGVRMWZWLGL-UHFFFAOYSA-N 1 1 263.385 3.042 20 30 CGEDMO N#CCCC[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000174142335 392637041 /nfs/dbraw/zinc/63/70/41/392637041.db2.gz JWBJYGBHZRCGQJ-CQSZACIVSA-N 1 1 260.406 3.404 20 30 CGEDMO C[N@@H+](CCCC(C)(C)C#N)CCOc1ccccc1F ZINC000174812501 392646000 /nfs/dbraw/zinc/64/60/00/392646000.db2.gz MRLSTYDLOCIRQZ-UHFFFAOYSA-N 1 1 278.371 3.466 20 30 CGEDMO Cc1cc([C@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)nn1C ZINC000334907950 392758229 /nfs/dbraw/zinc/75/82/29/392758229.db2.gz VOSFOHNOIBANOK-SUMWQHHRSA-N 1 1 294.402 3.328 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000186161818 392778802 /nfs/dbraw/zinc/77/88/02/392778802.db2.gz PDWAHFSCHPQOGN-UHFFFAOYSA-N 1 1 295.342 3.407 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000186161818 392778808 /nfs/dbraw/zinc/77/88/08/392778808.db2.gz PDWAHFSCHPQOGN-UHFFFAOYSA-N 1 1 295.342 3.407 20 30 CGEDMO CCCN1CCC([N@H+](C)Cc2ccc(C#N)cc2C)CC1 ZINC000186249868 392780749 /nfs/dbraw/zinc/78/07/49/392780749.db2.gz VDOZZOAQBYVTTB-UHFFFAOYSA-N 1 1 285.435 3.173 20 30 CGEDMO CCCN1CCC([N@@H+](C)Cc2ccc(C#N)cc2C)CC1 ZINC000186249868 392780752 /nfs/dbraw/zinc/78/07/52/392780752.db2.gz VDOZZOAQBYVTTB-UHFFFAOYSA-N 1 1 285.435 3.173 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@@H]3CCC=CO3)CC2)cc1 ZINC000375721448 392810769 /nfs/dbraw/zinc/81/07/69/392810769.db2.gz VPBVADGHPIXXDR-SFHVURJKSA-N 1 1 280.371 3.340 20 30 CGEDMO C[C@H](C#N)C[N@H+](CCO[C@@H]1CCCC[C@@H]1C)C1CC1 ZINC000338347637 392910527 /nfs/dbraw/zinc/91/05/27/392910527.db2.gz IWXUDCZEZGASEI-IJEWVQPXSA-N 1 1 264.413 3.206 20 30 CGEDMO C[C@H](C#N)C[N@@H+](CCO[C@@H]1CCCC[C@@H]1C)C1CC1 ZINC000338347637 392910531 /nfs/dbraw/zinc/91/05/31/392910531.db2.gz IWXUDCZEZGASEI-IJEWVQPXSA-N 1 1 264.413 3.206 20 30 CGEDMO C[C@@H](C#N)C[N@H+](CCCOc1ccccc1)C1CC1 ZINC000338343613 392910563 /nfs/dbraw/zinc/91/05/63/392910563.db2.gz CCBPEDAFFDYRPC-AWEZNQCLSA-N 1 1 258.365 3.080 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](CCCOc1ccccc1)C1CC1 ZINC000338343613 392910567 /nfs/dbraw/zinc/91/05/67/392910567.db2.gz CCBPEDAFFDYRPC-AWEZNQCLSA-N 1 1 258.365 3.080 20 30 CGEDMO CCC[N@@H+](CCOCCC#N)[C@@H]1CCc2ccccc2C1 ZINC000338927548 392935254 /nfs/dbraw/zinc/93/52/54/392935254.db2.gz YHDVKEWPTBHQLA-GOSISDBHSA-N 1 1 286.419 3.186 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+](C1CC1)C1CCC(C)CC1 ZINC000339006061 392938845 /nfs/dbraw/zinc/93/88/45/392938845.db2.gz QHWVBBCCJNTKEZ-UHFFFAOYSA-N 1 1 290.451 3.230 20 30 CGEDMO N#CCCOCC[N@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000339017579 392941277 /nfs/dbraw/zinc/94/12/77/392941277.db2.gz PXQKRIWAAXNCGY-IBGZPJMESA-N 1 1 298.430 3.287 20 30 CGEDMO C[C@@H]1CC[C@H]([N@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459436014 392943368 /nfs/dbraw/zinc/94/33/68/392943368.db2.gz YHSGAAATZKERTN-YPMHNXCESA-N 1 1 273.336 3.087 20 30 CGEDMO C[C@@H]1CC[C@H]([N@@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459436014 392943373 /nfs/dbraw/zinc/94/33/73/392943373.db2.gz YHSGAAATZKERTN-YPMHNXCESA-N 1 1 273.336 3.087 20 30 CGEDMO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000404083916 392962974 /nfs/dbraw/zinc/96/29/74/392962974.db2.gz QLJBAXMSNQFZKY-AWEZNQCLSA-N 1 1 276.355 3.087 20 30 CGEDMO CC[C@H]1COC(C)(C)C[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000404083916 392962979 /nfs/dbraw/zinc/96/29/79/392962979.db2.gz QLJBAXMSNQFZKY-AWEZNQCLSA-N 1 1 276.355 3.087 20 30 CGEDMO C[C@H]1COC(C)(C)C[N@H+]1CCC1(C#N)CCCCC1 ZINC000411632417 392983662 /nfs/dbraw/zinc/98/36/62/392983662.db2.gz LVSDJIFETIPSCB-AWEZNQCLSA-N 1 1 264.413 3.350 20 30 CGEDMO C=C(C)C[N@@H+](CCC1(O)CCC1)Cc1ccccc1 ZINC000411660409 392984888 /nfs/dbraw/zinc/98/48/88/392984888.db2.gz SIIDAZCREOEARP-UHFFFAOYSA-N 1 1 259.393 3.370 20 30 CGEDMO N#CCC[NH2+][C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000411778097 392988763 /nfs/dbraw/zinc/98/87/63/392988763.db2.gz ASYALGVCFJJKAH-ZDUSSCGKSA-N 1 1 252.720 3.433 20 30 CGEDMO CS[C@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411805842 392988774 /nfs/dbraw/zinc/98/87/74/392988774.db2.gz XZHMSFUSYSZKPT-ZDUSSCGKSA-N 1 1 252.427 3.288 20 30 CGEDMO C[C@H]1COc2ccccc2C[N@@H+]1Cc1cc(C#N)cs1 ZINC000341490757 392988883 /nfs/dbraw/zinc/98/88/83/392988883.db2.gz UVJHSPXKWUUEAR-LBPRGKRZSA-N 1 1 284.384 3.403 20 30 CGEDMO C[C@H]1COc2ccccc2C[N@H+]1Cc1cc(C#N)cs1 ZINC000341490757 392988885 /nfs/dbraw/zinc/98/88/85/392988885.db2.gz UVJHSPXKWUUEAR-LBPRGKRZSA-N 1 1 284.384 3.403 20 30 CGEDMO C=CCCC[N@H+]([C@@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000411910281 392991010 /nfs/dbraw/zinc/99/10/10/392991010.db2.gz UMPBGQLWJRNVKM-LBPRGKRZSA-N 1 1 253.386 3.147 20 30 CGEDMO CC(C)(C)OC(=O)CC[C@@H]1CCC[N@@H+](CCCC#N)C1 ZINC000412071994 392994904 /nfs/dbraw/zinc/99/49/04/392994904.db2.gz PNHNMPOGXGRJHQ-AWEZNQCLSA-N 1 1 280.412 3.124 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)Cc1ccc(OC)c(Cl)c1 ZINC000412038903 392995546 /nfs/dbraw/zinc/99/55/46/392995546.db2.gz JQZONVDWDKBEAE-ZDUSSCGKSA-N 1 1 283.799 3.108 20 30 CGEDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000533426374 392996399 /nfs/dbraw/zinc/99/63/99/392996399.db2.gz JFTIUAQBYIBYFC-YOEHRIQHSA-N 1 1 299.418 3.397 20 30 CGEDMO C[N@H+](CCCOc1ccc(Cl)cc1)CC1(C#N)CC1 ZINC000343137524 393019720 /nfs/dbraw/zinc/01/97/20/393019720.db2.gz DVCHNMYTCYATKE-UHFFFAOYSA-N 1 1 278.783 3.344 20 30 CGEDMO C[N@@H+](CCCOc1ccc(Cl)cc1)CC1(C#N)CC1 ZINC000343137524 393019727 /nfs/dbraw/zinc/01/97/27/393019727.db2.gz DVCHNMYTCYATKE-UHFFFAOYSA-N 1 1 278.783 3.344 20 30 CGEDMO CC(C)(C)[C@@H]1CC[N@@H+](CCCC(C)(C)C#N)C[C@H]1O ZINC000347788897 393109117 /nfs/dbraw/zinc/10/91/17/393109117.db2.gz KETRQHRTOLTGOG-ZIAGYGMSSA-N 1 1 266.429 3.045 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccc(F)cn1 ZINC000346244891 393080212 /nfs/dbraw/zinc/08/02/12/393080212.db2.gz MLGAJOULYOARHJ-UHFFFAOYSA-N 1 1 270.351 3.451 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)CC(C)(C)CCC#N ZINC000348636895 393127539 /nfs/dbraw/zinc/12/75/39/393127539.db2.gz RZSRMYPFZUFKLP-UHFFFAOYSA-N 1 1 290.407 3.480 20 30 CGEDMO CC(C)C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000469196711 393181436 /nfs/dbraw/zinc/18/14/36/393181436.db2.gz HKXLSWJIZWSHHH-MRXNPFEDSA-N 1 1 299.418 3.255 20 30 CGEDMO CC(C)n1ccnc1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000271701930 393253393 /nfs/dbraw/zinc/25/33/93/393253393.db2.gz UDYKLUBTIBJFKU-CYBMUJFWSA-N 1 1 268.364 3.186 20 30 CGEDMO C[C@@H](NCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000271906985 393256119 /nfs/dbraw/zinc/25/61/19/393256119.db2.gz CLSVGNJBJFAFOH-ZIAGYGMSSA-N 1 1 289.398 3.080 20 30 CGEDMO C[C@@H](NCC[N@H+]1CCC[C@@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000271906985 393256124 /nfs/dbraw/zinc/25/61/24/393256124.db2.gz CLSVGNJBJFAFOH-ZIAGYGMSSA-N 1 1 289.398 3.080 20 30 CGEDMO C[C@H]1CCSCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000279316587 393332984 /nfs/dbraw/zinc/33/29/84/393332984.db2.gz RYIHIEMQVJLHKV-NSHDSACASA-N 1 1 264.369 3.025 20 30 CGEDMO CC[N@@H+](Cc1cc(C#N)cs1)[C@H]1CCOC(C)(C)C1 ZINC000356238220 393393060 /nfs/dbraw/zinc/39/30/60/393393060.db2.gz MGTPWZZUGHZNAT-ZDUSSCGKSA-N 1 1 278.421 3.399 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H](O)C1CCCCC1 ZINC000475047159 393369127 /nfs/dbraw/zinc/36/91/27/393369127.db2.gz KKMFQKTYKBLHIO-IBGZPJMESA-N 1 1 298.430 3.487 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)n1 ZINC000356190227 393375360 /nfs/dbraw/zinc/37/53/60/393375360.db2.gz HIGZQPNKIPREQC-HNNXBMFYSA-N 1 1 297.427 3.469 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)n1 ZINC000356190227 393375365 /nfs/dbraw/zinc/37/53/65/393375365.db2.gz HIGZQPNKIPREQC-HNNXBMFYSA-N 1 1 297.427 3.469 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)CCc1cncc(C)n1 ZINC000649498400 393456732 /nfs/dbraw/zinc/45/67/32/393456732.db2.gz JIPYRUISCVUQNB-UHFFFAOYSA-N 1 1 281.403 3.058 20 30 CGEDMO COCC[N@H+](Cc1ccc(C)o1)Cc1ccc(C#N)c(C)c1 ZINC000488181838 393467217 /nfs/dbraw/zinc/46/72/17/393467217.db2.gz JSGMLXVDEXRQCV-UHFFFAOYSA-N 1 1 298.386 3.417 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C)o1)Cc1ccc(C#N)c(C)c1 ZINC000488181838 393467221 /nfs/dbraw/zinc/46/72/21/393467221.db2.gz JSGMLXVDEXRQCV-UHFFFAOYSA-N 1 1 298.386 3.417 20 30 CGEDMO CN(CC[N@@H+](C)Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000429709556 393496272 /nfs/dbraw/zinc/49/62/72/393496272.db2.gz QKNVKQDXWLZEQI-UHFFFAOYSA-N 1 1 293.414 3.122 20 30 CGEDMO CN(CC[N@H+](C)Cc1cccc(C#N)c1)Cc1ccccc1 ZINC000429709556 393496277 /nfs/dbraw/zinc/49/62/77/393496277.db2.gz QKNVKQDXWLZEQI-UHFFFAOYSA-N 1 1 293.414 3.122 20 30 CGEDMO CN(CC[N@@H+](C)Cc1cccc(C#N)c1)Cc1ccccc1 ZINC000429709556 393496285 /nfs/dbraw/zinc/49/62/85/393496285.db2.gz QKNVKQDXWLZEQI-UHFFFAOYSA-N 1 1 293.414 3.122 20 30 CGEDMO CC#CC[N@H+](Cc1ccccn1)Cc1ccccc1C ZINC000649620802 393516307 /nfs/dbraw/zinc/51/63/07/393516307.db2.gz ULJCKPTWVWZOJH-UHFFFAOYSA-N 1 1 264.372 3.416 20 30 CGEDMO CC#CC[N@@H+](Cc1ccccn1)Cc1ccccc1C ZINC000649620802 393516311 /nfs/dbraw/zinc/51/63/11/393516311.db2.gz ULJCKPTWVWZOJH-UHFFFAOYSA-N 1 1 264.372 3.416 20 30 CGEDMO C[C@@H](Cc1[nH]cc[nH+]1)OCc1ccccc1C(C)(C)C#N ZINC000360953955 393623256 /nfs/dbraw/zinc/62/32/56/393623256.db2.gz NPKPKMTZPAYBHD-ZDUSSCGKSA-N 1 1 283.375 3.359 20 30 CGEDMO Cc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cn1 ZINC000360964526 393626263 /nfs/dbraw/zinc/62/62/63/393626263.db2.gz TYFNUORJIFZVIK-UHFFFAOYSA-N 1 1 277.371 3.426 20 30 CGEDMO C[C@@H]1CC2(CCC2)C[N@H+]1Cc1ccc(C#N)cc1F ZINC000433022906 393670595 /nfs/dbraw/zinc/67/05/95/393670595.db2.gz MLTIEOOJMBNNGX-GFCCVEGCSA-N 1 1 258.340 3.462 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](C)C[C@H](C)C1 ZINC000443662052 393770493 /nfs/dbraw/zinc/77/04/93/393770493.db2.gz ULZOXDRDJXRGCU-KBPBESRZSA-N 1 1 272.392 3.435 20 30 CGEDMO Cc1cc(CNCC2([NH+](C)C)CCCCC2)ccc1C#N ZINC000443969219 393779565 /nfs/dbraw/zinc/77/95/65/393779565.db2.gz FZXHRSJKEZQLEJ-UHFFFAOYSA-N 1 1 285.435 3.221 20 30 CGEDMO Cc1cc(C[NH2+]Cc2nccn2CC(C)C)ccc1C#N ZINC000443999007 393782244 /nfs/dbraw/zinc/78/22/44/393782244.db2.gz RYSDPLJGMFAZIH-UHFFFAOYSA-N 1 1 282.391 3.009 20 30 CGEDMO CC[C@@H](NCC[NH+]1CCCCCC1)c1ccc(C#N)cc1 ZINC000447533800 393865037 /nfs/dbraw/zinc/86/50/37/393865037.db2.gz SOGRGAKKKMMRNU-GOSISDBHSA-N 1 1 285.435 3.475 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCSC[C@H]2C2CC2)c(F)c1 ZINC000449528856 393884544 /nfs/dbraw/zinc/88/45/44/393884544.db2.gz SNOMFEHPGFLVLV-HNNXBMFYSA-N 1 1 276.380 3.025 20 30 CGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCCC(C)(C)C1 ZINC000446082886 393847908 /nfs/dbraw/zinc/84/79/08/393847908.db2.gz ZDIPQEDOZNGRBA-AWEZNQCLSA-N 1 1 299.418 3.397 20 30 CGEDMO C=CC[N@H+](Cc1cnn2c1CCC2)CC1CCCCC1 ZINC000667630595 542900277 /nfs/dbraw/zinc/90/02/77/542900277.db2.gz IQQUOLFRIDDRME-UHFFFAOYSA-N 1 1 273.424 3.398 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2ccc3[nH]cnc3c2)C1 ZINC000668493072 543020441 /nfs/dbraw/zinc/02/04/41/543020441.db2.gz JQQYGOQPMIPTBQ-ZDUSSCGKSA-N 1 1 255.365 3.351 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2ccc3nc[nH]c3c2)C1 ZINC000668493072 543020442 /nfs/dbraw/zinc/02/04/42/543020442.db2.gz JQQYGOQPMIPTBQ-ZDUSSCGKSA-N 1 1 255.365 3.351 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2ccc3nc[nH]c3c2)C1 ZINC000668493072 543020443 /nfs/dbraw/zinc/02/04/43/543020443.db2.gz JQQYGOQPMIPTBQ-ZDUSSCGKSA-N 1 1 255.365 3.351 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2ccc3c(n2)CCC3)C1 ZINC000668493026 543020558 /nfs/dbraw/zinc/02/05/58/543020558.db2.gz IXINXKILEHACPP-AWEZNQCLSA-N 1 1 256.393 3.358 20 30 CGEDMO C=CCC[C@@H]([NH2+]CCc1ccc2cn[nH]c2c1)C1CC1 ZINC000671301165 543167722 /nfs/dbraw/zinc/16/77/22/543167722.db2.gz IBKMCZRIZXEZDZ-MRXNPFEDSA-N 1 1 269.392 3.440 20 30 CGEDMO CO[C@H](C[NH+]1CCC(F)(C#N)CC1)c1ccc(Cl)cc1 ZINC000352485085 397685364 /nfs/dbraw/zinc/68/53/64/397685364.db2.gz XICXNHWMCWIZSM-CQSZACIVSA-N 1 1 296.773 3.355 20 30 CGEDMO CCOC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000676714243 543412807 /nfs/dbraw/zinc/41/28/07/543412807.db2.gz GNPXHMQZADPFDR-UHFFFAOYSA-N 1 1 277.795 3.192 20 30 CGEDMO COCC#CC[N@H+]1CCCCC[C@H]1c1ccc(C)o1 ZINC000677133212 543435489 /nfs/dbraw/zinc/43/54/89/543435489.db2.gz NFQBMMJWTNOYFD-HNNXBMFYSA-N 1 1 261.365 3.155 20 30 CGEDMO CCC#C[C@H](C)[N@@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000678049593 543479033 /nfs/dbraw/zinc/47/90/33/543479033.db2.gz MIJSBQYKZHFHDN-DOTOQJQBSA-N 1 1 257.377 3.036 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000678049593 543479034 /nfs/dbraw/zinc/47/90/34/543479034.db2.gz MIJSBQYKZHFHDN-DOTOQJQBSA-N 1 1 257.377 3.036 20 30 CGEDMO C=C(CC)C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000678626899 543547661 /nfs/dbraw/zinc/54/76/61/543547661.db2.gz HEHGGJMKQQPHRQ-QGZVFWFLSA-N 1 1 257.377 3.127 20 30 CGEDMO CCC[N@@H+](CCC(=O)OC(C)C)Cc1ccc(C#N)cc1 ZINC000075626789 287026688 /nfs/dbraw/zinc/02/66/88/287026688.db2.gz XXYMVKXWHAQQGL-UHFFFAOYSA-N 1 1 288.391 3.112 20 30 CGEDMO COc1ccc(C[N@@H+](C)CC2CCCC2)cc1C#N ZINC000087833413 165189279 /nfs/dbraw/zinc/18/92/79/165189279.db2.gz HMRQKIZYTYECIR-UHFFFAOYSA-N 1 1 258.365 3.189 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+](C)[C@H](C)c1cccnc1 ZINC000093233990 165326552 /nfs/dbraw/zinc/32/65/52/165326552.db2.gz IZRZNSUFLAEFOR-CYBMUJFWSA-N 1 1 281.359 3.155 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000093233990 165326555 /nfs/dbraw/zinc/32/65/55/165326555.db2.gz IZRZNSUFLAEFOR-CYBMUJFWSA-N 1 1 281.359 3.155 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000334218778 287131945 /nfs/dbraw/zinc/13/19/45/287131945.db2.gz UAINVIOPNVLCFG-KSSFIOAISA-N 1 1 284.403 3.368 20 30 CGEDMO C[C@@H]1C[C@H](Nc2ccc(C#N)c(Cl)c2)C[N@H+]1C1CC1 ZINC000122796933 287212651 /nfs/dbraw/zinc/21/26/51/287212651.db2.gz NUZUMKUFYMULRN-MFKMUULPSA-N 1 1 275.783 3.249 20 30 CGEDMO CSCC[C@H](C)[N@@H+](C)CCOc1ccccc1C#N ZINC000126467349 287265563 /nfs/dbraw/zinc/26/55/63/287265563.db2.gz VWWMYOMIZNHBNH-ZDUSSCGKSA-N 1 1 278.421 3.010 20 30 CGEDMO N#Cc1cccc(C[NH2+]Cc2c(F)cccc2F)c1 ZINC000037501703 173238760 /nfs/dbraw/zinc/23/87/60/173238760.db2.gz KOTJLWGRSXFGIM-UHFFFAOYSA-N 1 1 258.271 3.126 20 30 CGEDMO CC[C@@H]1C[N@@H+](CCCOc2cccc(C#N)c2)CCS1 ZINC000127307633 287285469 /nfs/dbraw/zinc/28/54/69/287285469.db2.gz PPUUFHRQGABTHM-MRXNPFEDSA-N 1 1 290.432 3.155 20 30 CGEDMO Cc1csc(C[NH2+][C@H](C)c2ccc(C#N)cc2)n1 ZINC000038090747 174103907 /nfs/dbraw/zinc/10/39/07/174103907.db2.gz OZMKOYODMWGSAP-LLVKDONJSA-N 1 1 257.362 3.174 20 30 CGEDMO C=CCc1cc(C[N@@H+]2CC[C@H](C)[C@H](F)C2)cc(OC)c1O ZINC000679361436 543629001 /nfs/dbraw/zinc/62/90/01/543629001.db2.gz YKNTWQSBLGOGAF-SWLSCSKDSA-N 1 1 293.382 3.309 20 30 CGEDMO C=CCc1cc(C[N@H+]2CC[C@H](C)[C@H](F)C2)cc(OC)c1O ZINC000679361436 543629002 /nfs/dbraw/zinc/62/90/02/543629002.db2.gz YKNTWQSBLGOGAF-SWLSCSKDSA-N 1 1 293.382 3.309 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](C)C[C@H]1C ZINC000130453992 287355849 /nfs/dbraw/zinc/35/58/49/287355849.db2.gz PCFWIJAAKSHXSM-CHWSQXEVSA-N 1 1 258.365 3.187 20 30 CGEDMO C=CCOCC[NH2+][C@@H](C)c1csc(C(C)C)n1 ZINC000681108394 543766828 /nfs/dbraw/zinc/76/68/28/543766828.db2.gz AYPKYGDJWVPDLA-NSHDSACASA-N 1 1 254.399 3.120 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000682374458 543837487 /nfs/dbraw/zinc/83/74/87/543837487.db2.gz XVZDXVLDKBUHJQ-SFHVURJKSA-N 1 1 297.402 3.399 20 30 CGEDMO N#C[C@@H]1CC[C@H]([NH2+]Cc2coc(-c3ccccc3)n2)C1 ZINC000349800268 226845370 /nfs/dbraw/zinc/84/53/70/226845370.db2.gz JAKSKNRNXSEXJF-OCCSQVGLSA-N 1 1 267.332 3.123 20 30 CGEDMO Cc1nc(C)c(CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)o1 ZINC000329211223 227354220 /nfs/dbraw/zinc/35/42/20/227354220.db2.gz ZYYQAQJFHXJDRJ-ZDUSSCGKSA-N 1 1 279.384 3.012 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654519898 418981484 /nfs/dbraw/zinc/98/14/84/418981484.db2.gz OPXFGIKULCLRNZ-JYJNAYRXSA-N 1 1 293.455 3.047 20 30 CGEDMO C=CCCn1cc(C[N@H+](C)C2CCC(C)(C)CC2)nn1 ZINC000653568499 419051261 /nfs/dbraw/zinc/05/12/61/419051261.db2.gz YFQZWJGKPNWJGG-UHFFFAOYSA-N 1 1 276.428 3.255 20 30 CGEDMO C=CCCn1cc(C[N@H+](CC)[C@@H]2CCCC[C@@H]2C)nn1 ZINC000653632596 419062792 /nfs/dbraw/zinc/06/27/92/419062792.db2.gz ZYRSSMMHZDJIJA-GOEBONIOSA-N 1 1 276.428 3.255 20 30 CGEDMO C=CCCn1cc(C[NH2+]C(C)(C)c2ccccc2C)nn1 ZINC000653704784 419074059 /nfs/dbraw/zinc/07/40/59/419074059.db2.gz HCDPXTUDFCYMBV-UHFFFAOYSA-N 1 1 284.407 3.188 20 30 CGEDMO C=CCC[N@H+](C)Cc1cccc(F)c1OC(F)F ZINC000660398503 419137234 /nfs/dbraw/zinc/13/72/34/419137234.db2.gz GZISBBWPAIJLJG-UHFFFAOYSA-N 1 1 259.271 3.435 20 30 CGEDMO C=CCOc1ccc(C[NH+]2CC3(CC3(F)F)C2)cc1 ZINC000656266296 419160726 /nfs/dbraw/zinc/16/07/26/419160726.db2.gz DDARMQXTHJRJBN-UHFFFAOYSA-N 1 1 265.303 3.092 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2)C1 ZINC000661379408 419255208 /nfs/dbraw/zinc/25/52/08/419255208.db2.gz YASOYFNUZDHLRQ-CABCVRRESA-N 1 1 272.392 3.302 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCCCCC2)C1 ZINC000661378911 419256173 /nfs/dbraw/zinc/25/61/73/419256173.db2.gz OGTCVLRJJBDSBQ-HOTGVXAUSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@@H]2CCc3ccccc3NC2=O)C1 ZINC000661387594 419257192 /nfs/dbraw/zinc/25/71/92/419257192.db2.gz YXTIZWDXMAJTEC-RHSMWYFYSA-N 1 1 284.403 3.228 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@H]2c3ccccc3CC[C@H]2C)nn1 ZINC000657421338 419274385 /nfs/dbraw/zinc/27/43/85/419274385.db2.gz LWASUNYSVLPWGC-RDTXWAMCSA-N 1 1 296.418 3.267 20 30 CGEDMO C=CC[N@H+](CC(=O)N([C@@H](C)C1CC1)C1CC1)C(C)(C)C ZINC000661756274 419294871 /nfs/dbraw/zinc/29/48/71/419294871.db2.gz IKVGLXUVGTXWJS-ZDUSSCGKSA-N 1 1 278.440 3.062 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1cccc(C(C)=O)c1)C(C)(C)C ZINC000661756238 419295470 /nfs/dbraw/zinc/29/54/70/419295470.db2.gz HCMCJQHXRJNKST-UHFFFAOYSA-N 1 1 288.391 3.114 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1cccc(C(C)=O)c1)C(C)(C)C ZINC000661756238 419295472 /nfs/dbraw/zinc/29/54/72/419295472.db2.gz HCMCJQHXRJNKST-UHFFFAOYSA-N 1 1 288.391 3.114 20 30 CGEDMO C=CC[N@H+](CCC(=O)Nc1cccc(OC)c1)C(C)(C)C ZINC000661759942 419295800 /nfs/dbraw/zinc/29/58/00/419295800.db2.gz MSYNZVFDGPNPCZ-UHFFFAOYSA-N 1 1 290.407 3.310 20 30 CGEDMO C=CC[N@H+](CCc1nc2ccccc2n1C)C(C)(C)C ZINC000661760430 419296036 /nfs/dbraw/zinc/29/60/36/419296036.db2.gz SIOVDAUHJPTRRA-UHFFFAOYSA-N 1 1 271.408 3.402 20 30 CGEDMO C=CC[N@H+](C[C@H](O)[C@H](C)c1ccccc1)C(C)(C)C ZINC000661759012 419296254 /nfs/dbraw/zinc/29/62/54/419296254.db2.gz XWUANFONMJSMGR-ZBFHGGJFSA-N 1 1 261.409 3.438 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)N1CCc2ccccc21 ZINC000662078327 419333463 /nfs/dbraw/zinc/33/34/63/419333463.db2.gz ALUZZVAZVYAFFN-OIISXLGYSA-N 1 1 296.414 3.147 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCN(CC)CC(F)(F)F ZINC000662091289 419334258 /nfs/dbraw/zinc/33/42/58/419334258.db2.gz WMVOALYHNBQGDF-OKILXGFUSA-N 1 1 290.373 3.444 20 30 CGEDMO N#CC1CC[NH+](CCc2ccc(F)cc2Cl)CC1 ZINC000336011887 228177852 /nfs/dbraw/zinc/17/78/52/228177852.db2.gz MLHLIYQZSCZEPO-UHFFFAOYSA-N 1 1 266.747 3.257 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](C)CC1 ZINC000179657144 260062116 /nfs/dbraw/zinc/06/21/16/260062116.db2.gz RYJSCWDBCMCQII-CYBMUJFWSA-N 1 1 258.365 3.189 20 30 CGEDMO CC[C@@H]1C[C@H](C[N@@H+](CCC#N)CCC(C)C)CCO1 ZINC000356999566 260122327 /nfs/dbraw/zinc/12/23/27/260122327.db2.gz VFABCIKQQNPOHX-HZPDHXFCSA-N 1 1 266.429 3.453 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)[C@H](C)c1cccnc1 ZINC000298754069 260161741 /nfs/dbraw/zinc/16/17/41/260161741.db2.gz CMLFIDIIMCTFJO-CQSZACIVSA-N 1 1 256.349 3.466 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(OC)c(Br)c1 ZINC000054183575 260216787 /nfs/dbraw/zinc/21/67/87/260216787.db2.gz GSRUJWGFQWLOMM-NSHDSACASA-N 1 1 297.196 3.240 20 30 CGEDMO CCCCC(N)=[NH+]OCC(=O)Nc1ccc(C)cc1Cl ZINC000063460202 260239978 /nfs/dbraw/zinc/23/99/78/260239978.db2.gz RCOGXJAYNMMESX-UHFFFAOYSA-N 1 1 297.786 3.066 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000374306279 260259953 /nfs/dbraw/zinc/25/99/53/260259953.db2.gz CRTLLAZYHOFAPH-IRXDYDNUSA-N 1 1 293.455 3.278 20 30 CGEDMO C[N@H+](CCOc1ccc(Cl)cc1)C[C@@H](C#N)CCC#N ZINC000072589702 260277014 /nfs/dbraw/zinc/27/70/14/260277014.db2.gz QHYSSBREDSRRKH-CYBMUJFWSA-N 1 1 291.782 3.094 20 30 CGEDMO C[N@@H+](CCOc1ccc(Cl)cc1)C[C@@H](C#N)CCC#N ZINC000072589702 260277015 /nfs/dbraw/zinc/27/70/15/260277015.db2.gz QHYSSBREDSRRKH-CYBMUJFWSA-N 1 1 291.782 3.094 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1CCCC[C@@H]1O ZINC000517833143 260310545 /nfs/dbraw/zinc/31/05/45/260310545.db2.gz ULFJDHHISNXXMD-ROUUACIJSA-N 1 1 284.403 3.097 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000363472104 260313174 /nfs/dbraw/zinc/31/31/74/260313174.db2.gz QDJQTMAFOAKBRO-HNNXBMFYSA-N 1 1 258.365 3.469 20 30 CGEDMO CC[N@H+](CCCC(=O)c1ccc(F)cc1)C[C@@H](C)C#N ZINC000050153282 260678138 /nfs/dbraw/zinc/67/81/38/260678138.db2.gz XJAXXBGPLUJXCZ-ZDUSSCGKSA-N 1 1 276.355 3.270 20 30 CGEDMO C[N@@H+](CCCCC(C)(C)C#N)C[C@H]1CCCC[C@@H]1O ZINC000444674788 261061801 /nfs/dbraw/zinc/06/18/01/261061801.db2.gz LKAJLOXZLJRUON-CABCVRRESA-N 1 1 266.429 3.189 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCCC[C@H]2C[C@H](C)O)cc1 ZINC000448355859 261126527 /nfs/dbraw/zinc/12/65/27/261126527.db2.gz QBWBUBSNSRBSAY-RDJZCZTQSA-N 1 1 289.419 3.377 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cc(C(=O)OC)oc1CC ZINC000177204469 261339302 /nfs/dbraw/zinc/33/93/02/261339302.db2.gz SFHJFRBHRXUAEO-UHFFFAOYSA-N 1 1 265.353 3.027 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)Cc1cnccc1C ZINC000491179445 261362537 /nfs/dbraw/zinc/36/25/37/261362537.db2.gz FQYWLCYIWXBHLM-UHFFFAOYSA-N 1 1 250.345 3.025 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1cnccc1C ZINC000491179445 261362538 /nfs/dbraw/zinc/36/25/38/261362538.db2.gz FQYWLCYIWXBHLM-UHFFFAOYSA-N 1 1 250.345 3.025 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000497196411 262098947 /nfs/dbraw/zinc/09/89/47/262098947.db2.gz ABGBLSKFWMGROL-RDJZCZTQSA-N 1 1 289.419 3.234 20 30 CGEDMO C[N@H+](C[C@@H](C#N)CCC#N)CC1(c2ccccc2)CC1 ZINC000189308956 262170397 /nfs/dbraw/zinc/17/03/97/262170397.db2.gz QPHDELBMSLLYNA-OAHLLOKOSA-N 1 1 267.376 3.094 20 30 CGEDMO C[N@@H+](C[C@@H](C#N)CCC#N)CC1(c2ccccc2)CC1 ZINC000189308956 262170398 /nfs/dbraw/zinc/17/03/98/262170398.db2.gz QPHDELBMSLLYNA-OAHLLOKOSA-N 1 1 267.376 3.094 20 30 CGEDMO COc1ccc(OCC[N@H+](CCC#N)CC(C)(C)C)cc1 ZINC000111250646 262258340 /nfs/dbraw/zinc/25/83/40/262258340.db2.gz RUSIFWMJRGKCAE-UHFFFAOYSA-N 1 1 290.407 3.336 20 30 CGEDMO COc1ccc(OCC[N@@H+](CCC#N)CC(C)(C)C)cc1 ZINC000111250646 262258342 /nfs/dbraw/zinc/25/83/42/262258342.db2.gz RUSIFWMJRGKCAE-UHFFFAOYSA-N 1 1 290.407 3.336 20 30 CGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCCCC2)c1 ZINC000302738435 262266044 /nfs/dbraw/zinc/26/60/44/262266044.db2.gz HCQJJEJTMBDKEA-UHFFFAOYSA-N 1 1 299.418 3.036 20 30 CGEDMO C=CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160484783 262275794 /nfs/dbraw/zinc/27/57/94/262275794.db2.gz MCSLXQZEORWKEO-PBWFPOADSA-N 1 1 280.412 3.035 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](CC)C2)c1C ZINC000446716873 262379289 /nfs/dbraw/zinc/37/92/89/262379289.db2.gz NBANMOTUTXPMQH-OAHLLOKOSA-N 1 1 274.408 3.206 20 30 CGEDMO C[C@@H]1C[C@H](c2ccccc2)CC[N@H+]1CCOCCC#N ZINC000339157633 262605322 /nfs/dbraw/zinc/60/53/22/262605322.db2.gz LWXLCSAQUCQBNO-NVXWUHKLSA-N 1 1 272.392 3.185 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@@H+]2CCC=C(F)C2)cc1 ZINC000272870960 263009572 /nfs/dbraw/zinc/00/95/72/263009572.db2.gz WFWDPWBQGRKIDR-UHFFFAOYSA-N 1 1 273.355 3.096 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC=C(F)C2)cc1 ZINC000272870960 263009573 /nfs/dbraw/zinc/00/95/73/263009573.db2.gz WFWDPWBQGRKIDR-UHFFFAOYSA-N 1 1 273.355 3.096 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000275465609 263033407 /nfs/dbraw/zinc/03/34/07/263033407.db2.gz NUXCAZZRAZUBKO-MRXNPFEDSA-N 1 1 286.419 3.081 20 30 CGEDMO CC[N@H+](CCC#N)CCCCCOc1ccccc1 ZINC000275742762 263034158 /nfs/dbraw/zinc/03/41/58/263034158.db2.gz RFOSYDFRLUJGOG-UHFFFAOYSA-N 1 1 260.381 3.471 20 30 CGEDMO C=C(CC)C[N@@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000452108730 263037425 /nfs/dbraw/zinc/03/74/25/263037425.db2.gz FMOPNNZFUQJCQV-UHFFFAOYSA-N 1 1 278.362 3.301 20 30 CGEDMO C[N@@H+](CCOc1cccc(Cl)c1)[C@@H]1CC[C@@H](C#N)C1 ZINC000278525512 263048610 /nfs/dbraw/zinc/04/86/10/263048610.db2.gz DEMRRKQZUUTQHO-TZMCWYRMSA-N 1 1 278.783 3.343 20 30 CGEDMO N#C[C@H]1CC[C@@H]([N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000278753165 263050668 /nfs/dbraw/zinc/05/06/68/263050668.db2.gz XIIIXKWYIQLSJK-WCQYABFASA-N 1 1 260.768 3.390 20 30 CGEDMO CC[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CCCO1 ZINC000281576309 263070433 /nfs/dbraw/zinc/07/04/33/263070433.db2.gz ZLEMAUSHVYIFQY-MRXNPFEDSA-N 1 1 286.419 3.489 20 30 CGEDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(C)(C)CCC#N ZINC000283138624 263081551 /nfs/dbraw/zinc/08/15/51/263081551.db2.gz WQWIGSXTCMQCDP-UHFFFAOYSA-N 1 1 289.379 3.399 20 30 CGEDMO CC(C)[N@@H+](CCC(C)(C)C#N)CC(=O)N1CCCCCC1 ZINC000353200445 263092756 /nfs/dbraw/zinc/09/27/56/263092756.db2.gz BRYCRAAHBRVEPL-UHFFFAOYSA-N 1 1 293.455 3.039 20 30 CGEDMO N#CCCCC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285531079 263094078 /nfs/dbraw/zinc/09/40/78/263094078.db2.gz KWTAVLXRMRQZFG-IBGZPJMESA-N 1 1 297.446 3.278 20 30 CGEDMO N#CCCCC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285531079 263094079 /nfs/dbraw/zinc/09/40/79/263094079.db2.gz KWTAVLXRMRQZFG-IBGZPJMESA-N 1 1 297.446 3.278 20 30 CGEDMO N#CCCCC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285531079 263094080 /nfs/dbraw/zinc/09/40/80/263094080.db2.gz KWTAVLXRMRQZFG-IBGZPJMESA-N 1 1 297.446 3.278 20 30 CGEDMO N#CCCCC[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285531079 263094081 /nfs/dbraw/zinc/09/40/81/263094081.db2.gz KWTAVLXRMRQZFG-IBGZPJMESA-N 1 1 297.446 3.278 20 30 CGEDMO N#CCCCC[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000285531079 263094082 /nfs/dbraw/zinc/09/40/82/263094082.db2.gz KWTAVLXRMRQZFG-IBGZPJMESA-N 1 1 297.446 3.278 20 30 CGEDMO C=CCN(CC[C@H]1CCC[N@@H+]1C)Cc1ccccc1F ZINC000340371347 263120299 /nfs/dbraw/zinc/12/02/99/263120299.db2.gz JZMZETVRLRDDLD-MRXNPFEDSA-N 1 1 276.399 3.298 20 30 CGEDMO C=CC[N@H+](CCC)C1CCN(C(=O)c2ccccc2)CC1 ZINC000101566606 263122034 /nfs/dbraw/zinc/12/20/34/263122034.db2.gz SHUUTWKJCCACEB-UHFFFAOYSA-N 1 1 286.419 3.189 20 30 CGEDMO C[N@H+](Cc1ccc(F)cc1F)[C@@H]1CC[C@H](C#N)C1 ZINC000293658173 263146202 /nfs/dbraw/zinc/14/62/02/263146202.db2.gz YLOWHCWQBDALQF-GXFFZTMASA-N 1 1 250.292 3.089 20 30 CGEDMO C[N@@H+](Cc1ccc(F)cc1F)[C@@H]1CC[C@H](C#N)C1 ZINC000293658173 263146203 /nfs/dbraw/zinc/14/62/03/263146203.db2.gz YLOWHCWQBDALQF-GXFFZTMASA-N 1 1 250.292 3.089 20 30 CGEDMO CC1(C)C[N@H+]([C@@H]2CC[C@@H](C#N)C2)Cc2ccccc21 ZINC000293817661 263150111 /nfs/dbraw/zinc/15/01/11/263150111.db2.gz OUHAEUKWJBGAHG-UKRRQHHQSA-N 1 1 254.377 3.472 20 30 CGEDMO CC[N@H+](CC(=O)Nc1c(C)cccc1C)[C@@H]1CC[C@H](C#N)C1 ZINC000293906488 263152149 /nfs/dbraw/zinc/15/21/49/263152149.db2.gz WNRUSIJTGQEHTP-JKSUJKDBSA-N 1 1 299.418 3.256 20 30 CGEDMO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)[C@@H]1CC[C@H](C#N)C1 ZINC000293906488 263152151 /nfs/dbraw/zinc/15/21/51/263152151.db2.gz WNRUSIJTGQEHTP-JKSUJKDBSA-N 1 1 299.418 3.256 20 30 CGEDMO Cc1cccc([C@@H]2CC[N@H+]([C@H]3CC[C@@H](C#N)C3)C2)c1 ZINC000294480294 263162757 /nfs/dbraw/zinc/16/27/57/263162757.db2.gz HGOKUGWVOBAVFJ-OIISXLGYSA-N 1 1 254.377 3.477 20 30 CGEDMO C[C@H](CCC#N)[N@@H+](C)CCCOc1ccc(F)cc1 ZINC000297956055 263212767 /nfs/dbraw/zinc/21/27/67/263212767.db2.gz UBEHUUWXCGFTKG-CYBMUJFWSA-N 1 1 264.344 3.219 20 30 CGEDMO COc1cc([C@H](C)[NH2+]CCC#N)ccc1OCC(C)C ZINC000298426014 263219529 /nfs/dbraw/zinc/21/95/29/263219529.db2.gz MRSMAFJWKDSQLC-ZDUSSCGKSA-N 1 1 276.380 3.294 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000298825345 263226754 /nfs/dbraw/zinc/22/67/54/263226754.db2.gz BHUQKHWCDSEGGK-HIFRSBDPSA-N 1 1 260.356 3.382 20 30 CGEDMO C[C@@H](C#N)C[N@H+](C)[C@H](C)c1ccc(OC(F)F)cc1 ZINC000299170811 263233426 /nfs/dbraw/zinc/23/34/26/263233426.db2.gz RTCQYVLUDWPOOU-WDEREUQCSA-N 1 1 268.307 3.440 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C)[C@H](C)c1ccc(OC(F)F)cc1 ZINC000299170811 263233428 /nfs/dbraw/zinc/23/34/28/263233428.db2.gz RTCQYVLUDWPOOU-WDEREUQCSA-N 1 1 268.307 3.440 20 30 CGEDMO C=CCC[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000342127377 263390371 /nfs/dbraw/zinc/39/03/71/263390371.db2.gz KTAGRAHXIZUHTJ-UHFFFAOYSA-N 1 1 266.335 3.053 20 30 CGEDMO CC1=C(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CCC1 ZINC000331220701 264166346 /nfs/dbraw/zinc/16/63/46/264166346.db2.gz ABNDMNSWUQJEMM-ZDUSSCGKSA-N 1 1 293.411 3.081 20 30 CGEDMO COc1ccc([C@@H]2CCC[N@@H+]2CC2(C#N)CC2)cc1OC ZINC000343258068 264225221 /nfs/dbraw/zinc/22/52/21/264225221.db2.gz GXZMZXQWWLPFMR-AWEZNQCLSA-N 1 1 286.375 3.144 20 30 CGEDMO COc1ccc([C@@H]2CCC[N@H+]2CC2(C#N)CC2)cc1OC ZINC000343258068 264225223 /nfs/dbraw/zinc/22/52/23/264225223.db2.gz GXZMZXQWWLPFMR-AWEZNQCLSA-N 1 1 286.375 3.144 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000127506626 264255555 /nfs/dbraw/zinc/25/55/55/264255555.db2.gz YMISHHSLGRGYHT-GOSISDBHSA-N 1 1 280.371 3.364 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1c(C)cccc1C ZINC000072553306 264269140 /nfs/dbraw/zinc/26/91/40/264269140.db2.gz ZUBDCSKIDPRWAU-UHFFFAOYSA-N 1 1 260.381 3.140 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1c(C)cccc1C ZINC000072553306 264269144 /nfs/dbraw/zinc/26/91/44/264269144.db2.gz ZUBDCSKIDPRWAU-UHFFFAOYSA-N 1 1 260.381 3.140 20 30 CGEDMO C=CC[N@@H+](CC)CC(=O)Nc1c(Cl)cccc1Cl ZINC000073023020 264282612 /nfs/dbraw/zinc/28/26/12/264282612.db2.gz KMMLNMLZNYTZKK-UHFFFAOYSA-N 1 1 287.190 3.440 20 30 CGEDMO C=CC[N@H+](CC)CC(=O)Nc1c(Cl)cccc1Cl ZINC000073023020 264282613 /nfs/dbraw/zinc/28/26/13/264282613.db2.gz KMMLNMLZNYTZKK-UHFFFAOYSA-N 1 1 287.190 3.440 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCc2c(Cl)cccc2C1 ZINC000130410126 264352760 /nfs/dbraw/zinc/35/27/60/264352760.db2.gz PYHWHLXGULMCIU-CYBMUJFWSA-N 1 1 265.784 3.025 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000180138089 264391981 /nfs/dbraw/zinc/39/19/81/264391981.db2.gz JAJRBDXDEUWBFQ-MSOLQXFVSA-N 1 1 298.430 3.316 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cc(C(N)=O)cs1 ZINC000093498066 264508934 /nfs/dbraw/zinc/50/89/34/264508934.db2.gz CHZNVHHBWNGUEB-UHFFFAOYSA-N 1 1 266.410 3.025 20 30 CGEDMO C[N@@H+](CCOc1ccc(C#N)cc1)CC1CCCCC1 ZINC000042340339 270032562 /nfs/dbraw/zinc/03/25/62/270032562.db2.gz XROBYBHWWSHWLI-UHFFFAOYSA-N 1 1 272.392 3.449 20 30 CGEDMO Clc1cccc(C#CC[N@H+]2CC[C@@]3(C2)CCCOC3)c1 ZINC000367074932 265168280 /nfs/dbraw/zinc/16/82/80/265168280.db2.gz QQHCKWMQACUUAF-QGZVFWFLSA-N 1 1 289.806 3.194 20 30 CGEDMO Cc1cc[nH+]c(NCc2c(F)cc(C#N)cc2F)c1 ZINC000192746876 270077846 /nfs/dbraw/zinc/07/78/46/270077846.db2.gz JFTJGYRTJRBNJD-UHFFFAOYSA-N 1 1 259.259 3.152 20 30 CGEDMO C=CCc1cc(C[N@H+](C)[C@@H](C)CC)cc(OC)c1O ZINC000179323508 265755289 /nfs/dbraw/zinc/75/52/89/265755289.db2.gz VBIIEOXISJQQAE-LBPRGKRZSA-N 1 1 263.381 3.360 20 30 CGEDMO CC(C)[C@H](C[NH2+]Cc1ccc(C#N)cc1)N1CCC(C)CC1 ZINC000236722037 265900494 /nfs/dbraw/zinc/90/04/94/265900494.db2.gz MCFOUVHCDZOCIA-IBGZPJMESA-N 1 1 299.462 3.404 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)NCCC(C)C ZINC000356349723 266100275 /nfs/dbraw/zinc/10/02/75/266100275.db2.gz BPPMKUPZBFTOFV-MRXNPFEDSA-N 1 1 288.435 3.225 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)NCCC(C)C ZINC000356349723 266100279 /nfs/dbraw/zinc/10/02/79/266100279.db2.gz BPPMKUPZBFTOFV-MRXNPFEDSA-N 1 1 288.435 3.225 20 30 CGEDMO CC1(C#N)CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000356442140 266114144 /nfs/dbraw/zinc/11/41/44/266114144.db2.gz BKQNTCBBIDXNQY-UHFFFAOYSA-N 1 1 278.783 3.344 20 30 CGEDMO CC[C@@H]1C[C@H](C)C[N@H+]1CCOc1ccccc1C#N ZINC000399742629 266385609 /nfs/dbraw/zinc/38/56/09/266385609.db2.gz JMQZVEXSQLHVLB-DZGCQCFKSA-N 1 1 258.365 3.057 20 30 CGEDMO C#C[C@@H](NC1CC[NH+](C2CCCCC2)CC1)C(C)C ZINC000368043062 267141305 /nfs/dbraw/zinc/14/13/05/267141305.db2.gz OSZWWYJALHNSIC-QGZVFWFLSA-N 1 1 262.441 3.031 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCOC[C@H]1c1ccccc1 ZINC000369995696 267281357 /nfs/dbraw/zinc/28/13/57/267281357.db2.gz AVHOECFODLMQLE-INIZCTEOSA-N 1 1 272.392 3.390 20 30 CGEDMO COc1cc(C[NH2+]CC2(C#N)CCC2)ccc1OC(C)C ZINC000418142207 267363626 /nfs/dbraw/zinc/36/36/26/267363626.db2.gz MHUJGWMOIWELJH-UHFFFAOYSA-N 1 1 288.391 3.266 20 30 CGEDMO CO[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)CC1(C)C ZINC000296257765 274080064 /nfs/dbraw/zinc/08/00/64/274080064.db2.gz YECQYUJOKSHRPL-INIZCTEOSA-N 1 1 291.822 3.438 20 30 CGEDMO C[C@@H]1CCCC[N@@H+]1CCN[C@H]1CCc2ccc(C#N)cc21 ZINC000353411601 274285708 /nfs/dbraw/zinc/28/57/08/274285708.db2.gz KNUULBUKLXSIKZ-KDOFPFPSSA-N 1 1 283.419 3.010 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCN[C@H]1CCc2ccc(C#N)cc21 ZINC000353411601 274285709 /nfs/dbraw/zinc/28/57/09/274285709.db2.gz KNUULBUKLXSIKZ-KDOFPFPSSA-N 1 1 283.419 3.010 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ccnc(C#N)c2)C1 ZINC000287241401 274286531 /nfs/dbraw/zinc/28/65/31/274286531.db2.gz JNEQCRDZGDOZPE-HZPDHXFCSA-N 1 1 298.434 3.044 20 30 CGEDMO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2C#N)C[C@H](C)[N@@H+]1C ZINC000135264619 274363003 /nfs/dbraw/zinc/36/30/03/274363003.db2.gz WBXAJQWZMXHFBH-PHIMTYICSA-N 1 1 297.324 3.106 20 30 CGEDMO C[C@@H](N[C@H]1CC[N@H+](C2CCCC2)C1)c1cccc(C#N)c1 ZINC000362237397 278384798 /nfs/dbraw/zinc/38/47/98/278384798.db2.gz OKLGMOJURQXCBF-PBHICJAKSA-N 1 1 283.419 3.226 20 30 CGEDMO C[C@@H]([NH2+][C@H]1CCN(C2CCCC2)C1)c1cccc(C#N)c1 ZINC000362237397 278384799 /nfs/dbraw/zinc/38/47/99/278384799.db2.gz OKLGMOJURQXCBF-PBHICJAKSA-N 1 1 283.419 3.226 20 30 CGEDMO CC[C@@H](CN[C@H](C)c1ccc(C#N)cc1)[NH+]1CCCC1 ZINC000181477081 280145827 /nfs/dbraw/zinc/14/58/27/280145827.db2.gz FPARMYCCRAEMLG-PBHICJAKSA-N 1 1 271.408 3.083 20 30 CGEDMO CC[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccn(C)n1 ZINC000543602783 288812251 /nfs/dbraw/zinc/81/22/51/288812251.db2.gz LLVCMPIOZTXOBJ-IUODEOHRSA-N 1 1 268.364 3.094 20 30 CGEDMO C[C@@H]1C[C@H](C)[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000548753349 289020626 /nfs/dbraw/zinc/02/06/26/289020626.db2.gz SECGWBNONAEZEX-AOOOYVTPSA-N 1 1 279.181 3.303 20 30 CGEDMO C[C@@H]1C[C@H](C)[N@H+]1Cc1cc(C#N)ccc1Br ZINC000548753349 289020625 /nfs/dbraw/zinc/02/06/25/289020625.db2.gz SECGWBNONAEZEX-AOOOYVTPSA-N 1 1 279.181 3.303 20 30 CGEDMO CC[C@H]([NH2+]Cc1ccc(C#N)cn1)c1cc(F)ccc1F ZINC000554365483 289275959 /nfs/dbraw/zinc/27/59/59/289275959.db2.gz LIHXKDHZRZBPQS-INIZCTEOSA-N 1 1 287.313 3.472 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000245597789 290221199 /nfs/dbraw/zinc/22/11/99/290221199.db2.gz LVRZUHLPYWLYQA-IIDMSEBBSA-N 1 1 294.402 3.399 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)cc1 ZINC000177207393 303191160 /nfs/dbraw/zinc/19/11/60/303191160.db2.gz NKZWETIZZBGGKX-JKSUJKDBSA-N 1 1 272.417 3.418 20 30 CGEDMO C[C@H](C[C@H]1CCCCC[NH2+]1)NCc1ccc(CC#N)cc1 ZINC000563155001 327931629 /nfs/dbraw/zinc/93/16/29/327931629.db2.gz XDLPTMOBZTZPMK-CRAIPNDOSA-N 1 1 285.435 3.153 20 30 CGEDMO CC(C)(CCC#N)C[NH+]1CC(O)(c2ccc(Cl)cc2)C1 ZINC000365667581 327952633 /nfs/dbraw/zinc/95/26/33/327952633.db2.gz AGLIRVMETOARKN-UHFFFAOYSA-N 1 1 292.810 3.173 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000412056929 328101799 /nfs/dbraw/zinc/10/17/99/328101799.db2.gz PUYZEZXUMPOXLI-CVEARBPZSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CC(C)(C)CNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000571462934 328123440 /nfs/dbraw/zinc/12/34/40/328123440.db2.gz YWQPLMQVUJIHMV-AWEZNQCLSA-N 1 1 294.826 3.271 20 30 CGEDMO CCC[N@@H+](Cc1ccc(F)cc1)C[C@H](C#N)CCC#N ZINC000264890821 328162576 /nfs/dbraw/zinc/16/25/76/328162576.db2.gz SZOAWECZVISEMU-HNNXBMFYSA-N 1 1 273.355 3.481 20 30 CGEDMO CCC[N@H+](Cc1ccc(F)cc1)C[C@H](C#N)CCC#N ZINC000264890821 328162578 /nfs/dbraw/zinc/16/25/78/328162578.db2.gz SZOAWECZVISEMU-HNNXBMFYSA-N 1 1 273.355 3.481 20 30 CGEDMO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1C[C@@H](C#N)CCC#N ZINC000267036451 328171882 /nfs/dbraw/zinc/17/18/82/328171882.db2.gz NXLCXMCVNFCZLE-KBAYOESNSA-N 1 1 281.403 3.383 20 30 CGEDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000274951631 328213934 /nfs/dbraw/zinc/21/39/34/328213934.db2.gz HDLNTYWZOWZJFZ-XJKSGUPXSA-N 1 1 258.365 3.209 20 30 CGEDMO COc1ccc(CCC[N@@H+](C)[C@H]2CC[C@H](C#N)C2)cc1 ZINC000278510966 328226011 /nfs/dbraw/zinc/22/60/11/328226011.db2.gz BHXSQPNROBKLGW-HOTGVXAUSA-N 1 1 272.392 3.252 20 30 CGEDMO N#Cc1ccc(C[N@@H+](CC2CC2)C2CCC2)c([N+](=O)[O-])c1 ZINC000565658978 322086093 /nfs/dbraw/zinc/08/60/93/322086093.db2.gz BMXTXJCUMAWMMP-UHFFFAOYSA-N 1 1 285.347 3.231 20 30 CGEDMO CC(C)CC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000567176316 322153181 /nfs/dbraw/zinc/15/31/81/322153181.db2.gz AVNLVYJQAVAKAC-INIZCTEOSA-N 1 1 257.381 3.354 20 30 CGEDMO Cc1nc(C)c([C@H](C)[N@H+](C)Cc2ccc(C#N)cn2)s1 ZINC000573455144 322388682 /nfs/dbraw/zinc/38/86/82/322388682.db2.gz DEEOKUOTIMZMRG-NSHDSACASA-N 1 1 286.404 3.220 20 30 CGEDMO Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2ccc(C#N)cn2)s1 ZINC000573455144 322388684 /nfs/dbraw/zinc/38/86/84/322388684.db2.gz DEEOKUOTIMZMRG-NSHDSACASA-N 1 1 286.404 3.220 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1OC(F)F)C1CC1 ZINC000357550914 327018585 /nfs/dbraw/zinc/01/85/85/327018585.db2.gz IFUZARWUSXNHNF-UHFFFAOYSA-N 1 1 253.292 3.438 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@]1(Cc1ccccc1)C(=O)OCC ZINC000558830945 327123644 /nfs/dbraw/zinc/12/36/44/327123644.db2.gz KCIBITNEHFENMM-GOSISDBHSA-N 1 1 287.403 3.203 20 30 CGEDMO C=CCOCC[N@@H+]1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000559106942 327141804 /nfs/dbraw/zinc/14/18/04/327141804.db2.gz PEOOPQOSHFTSOY-BBRMVZONSA-N 1 1 263.356 3.411 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000119728919 327261126 /nfs/dbraw/zinc/26/11/26/327261126.db2.gz NOLRRNRJLPHTOY-STQMWFEESA-N 1 1 252.427 3.286 20 30 CGEDMO CCOc1cccc([C@@H](C)[NH2+]C[C@H](C#N)CCC#N)c1 ZINC000112537333 327286379 /nfs/dbraw/zinc/28/63/79/327286379.db2.gz GNYDULNXTUFPRU-KGLIPLIRSA-N 1 1 271.364 3.179 20 30 CGEDMO CN(C)Cc1ccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)cc1F ZINC000361426083 328925376 /nfs/dbraw/zinc/92/53/76/328925376.db2.gz LKZFIRYNCAVHEP-XJKSGUPXSA-N 1 1 289.398 3.059 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)Cc1cccc(OC)n1 ZINC000171859092 329080258 /nfs/dbraw/zinc/08/02/58/329080258.db2.gz IQWNASFBUMZFIO-UHFFFAOYSA-N 1 1 274.389 3.340 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)Cc1cccc(OC)n1 ZINC000171859092 329080260 /nfs/dbraw/zinc/08/02/60/329080260.db2.gz IQWNASFBUMZFIO-UHFFFAOYSA-N 1 1 274.389 3.340 20 30 CGEDMO CCc1cc(C[NH2+][C@H](CC)c2ccc(C#N)cc2)on1 ZINC000582705420 329128664 /nfs/dbraw/zinc/12/86/64/329128664.db2.gz JQEWZFCGHABNMH-MRXNPFEDSA-N 1 1 269.348 3.350 20 30 CGEDMO N#CCC[C@H](C#N)C[NH+]1CCC(OCC2CCCC2)CC1 ZINC000175601937 329170355 /nfs/dbraw/zinc/17/03/55/329170355.db2.gz ZFEQFMQJNLUHHJ-MRXNPFEDSA-N 1 1 289.423 3.101 20 30 CGEDMO CO[C@@H](c1ccc(Br)cc1)[C@H](C)[NH2+]CCC#N ZINC000514668522 329173348 /nfs/dbraw/zinc/17/33/48/329173348.db2.gz HUTOESRBLJDWQP-GXFFZTMASA-N 1 1 297.196 3.028 20 30 CGEDMO N#CCCC[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000175958452 329172848 /nfs/dbraw/zinc/17/28/48/329172848.db2.gz LLWSPLCPMANXDS-KRWDZBQOSA-N 1 1 272.392 3.014 20 30 CGEDMO C[C@@H]1C[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCS1 ZINC000177120506 329180644 /nfs/dbraw/zinc/18/06/44/329180644.db2.gz WRFZKQNHZVEPLY-GFCCVEGCSA-N 1 1 299.361 3.494 20 30 CGEDMO C[C@@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCS1 ZINC000177120506 329180646 /nfs/dbraw/zinc/18/06/46/329180646.db2.gz WRFZKQNHZVEPLY-GFCCVEGCSA-N 1 1 299.361 3.494 20 30 CGEDMO CCCCCCCC[NH+]1CCN(C2CCOCC2)CC1 ZINC000177752001 329186599 /nfs/dbraw/zinc/18/65/99/329186599.db2.gz DCDKZWXSPNSCMA-UHFFFAOYSA-N 1 1 282.472 3.144 20 30 CGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)CC(=C)C ZINC000181297346 329230252 /nfs/dbraw/zinc/23/02/52/329230252.db2.gz ZHUPXMRPSVRNLQ-CQSZACIVSA-N 1 1 292.448 3.159 20 30 CGEDMO CC(C)[C@@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1nc(C2CC2)no1 ZINC000185885137 329334532 /nfs/dbraw/zinc/33/45/32/329334532.db2.gz JACZJKSKCKBFCD-FPMFFAJLSA-N 1 1 288.395 3.316 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+][C@H]1CCSc2ccccc21 ZINC000583216309 329371927 /nfs/dbraw/zinc/37/19/27/329371927.db2.gz WIHXHHGLRZDIHJ-OCCSQVGLSA-N 1 1 271.389 3.257 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)C[C@@H]1CC[C@H](C)O1 ZINC000190629219 329399814 /nfs/dbraw/zinc/39/98/14/329399814.db2.gz ALCGXCUJZUSYAQ-ZFWWWQNUSA-N 1 1 252.402 3.206 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)C[C@H](O)C1CCCCC1 ZINC000190629085 329399930 /nfs/dbraw/zinc/39/99/30/329399930.db2.gz IBXSEDYHQWKYRO-INIZCTEOSA-N 1 1 266.429 3.189 20 30 CGEDMO C=C(C)CC[NH2+][C@@H](C)c1noc(Cc2ccccc2)n1 ZINC000509574967 332874301 /nfs/dbraw/zinc/87/43/01/332874301.db2.gz LSKLWSQNLWIXEU-ZDUSSCGKSA-N 1 1 271.364 3.277 20 30 CGEDMO N#CCCC[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000423137036 330172102 /nfs/dbraw/zinc/17/21/02/330172102.db2.gz VXKUZNJZSKANCN-WFFDWFOESA-N 1 1 283.419 3.294 20 30 CGEDMO C=CCn1cc(C[NH2+][C@H](C)c2ccc(C(C)C)cc2)nn1 ZINC000424122047 330253933 /nfs/dbraw/zinc/25/39/33/330253933.db2.gz GKWQWOWVQUNPBZ-CQSZACIVSA-N 1 1 284.407 3.438 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccnc(C)c1 ZINC000527539371 330260790 /nfs/dbraw/zinc/26/07/90/330260790.db2.gz NJHUQVTYMVWUQM-UHFFFAOYSA-N 1 1 286.375 3.054 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccnc(C)c1 ZINC000527539371 330260792 /nfs/dbraw/zinc/26/07/92/330260792.db2.gz NJHUQVTYMVWUQM-UHFFFAOYSA-N 1 1 286.375 3.054 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C(C)C)C1CCCCC1 ZINC000533049432 330326297 /nfs/dbraw/zinc/32/62/97/330326297.db2.gz AVKAWEYKERGSBV-UHFFFAOYSA-N 1 1 280.456 3.454 20 30 CGEDMO C=C(CC)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000536889088 330363284 /nfs/dbraw/zinc/36/32/84/330363284.db2.gz HJZLXCWZCAFRSL-QGZVFWFLSA-N 1 1 286.419 3.237 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000121040906 330395316 /nfs/dbraw/zinc/39/53/16/330395316.db2.gz BJLGTRKBBIZFHB-CVEARBPZSA-N 1 1 288.435 3.459 20 30 CGEDMO C=CCC[C@@H]([NH2+][C@@H]1CCCC12CCC2)C(=O)OCC ZINC000449653359 330942186 /nfs/dbraw/zinc/94/21/86/330942186.db2.gz CAFNQPJRXJOGEP-ZIAGYGMSSA-N 1 1 265.397 3.197 20 30 CGEDMO N#CC1(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)CCC1 ZINC000450892980 331005309 /nfs/dbraw/zinc/00/53/09/331005309.db2.gz GAJQYDWQNYLDHW-OAGGEKHMSA-N 1 1 276.424 3.086 20 30 CGEDMO C[C@]1(O)CCCC[C@@H]1[C@H]1CCC[N@H+]1CC1(C#N)CCC1 ZINC000450953807 331008607 /nfs/dbraw/zinc/00/86/07/331008607.db2.gz AFBUJMUBYODBJA-OAGGEKHMSA-N 1 1 276.424 3.086 20 30 CGEDMO COc1ccc([C@@H](C)[NH2+]CC2(C#N)CCC2)c(C)c1OC ZINC000451028861 331012586 /nfs/dbraw/zinc/01/25/86/331012586.db2.gz JIIBPNXTLNJIRB-CYBMUJFWSA-N 1 1 288.391 3.357 20 30 CGEDMO C=CCC[C@@H](CC)[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000453285719 331111075 /nfs/dbraw/zinc/11/10/75/331111075.db2.gz QHLDYEXECIAUCQ-LSDHHAIUSA-N 1 1 280.456 3.345 20 30 CGEDMO C=CCOc1ccc(CNC(C)(C)C[NH+](C)C)cc1Cl ZINC000453601842 331135883 /nfs/dbraw/zinc/13/58/83/331135883.db2.gz VOTFKHOCEIKBHD-UHFFFAOYSA-N 1 1 296.842 3.335 20 30 CGEDMO N#CC1(C[NH2+][C@@H](c2ccccc2)C2(CO)CCCC2)CC1 ZINC000459539423 331286698 /nfs/dbraw/zinc/28/66/98/331286698.db2.gz JORPYMRNCUHYHH-INIZCTEOSA-N 1 1 284.403 3.174 20 30 CGEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000459576205 331288867 /nfs/dbraw/zinc/28/88/67/331288867.db2.gz UVPYJKVKMGOOGJ-RDJZCZTQSA-N 1 1 298.430 3.294 20 30 CGEDMO CC[N@@H+](CC#Cc1ccccc1Cl)C[C@H](C)OC ZINC000463415341 331347328 /nfs/dbraw/zinc/34/73/28/331347328.db2.gz PXVARVPYXRORAR-ZDUSSCGKSA-N 1 1 265.784 3.048 20 30 CGEDMO CC[NH+](CC)CC1CCN(CC#Cc2ccccc2)CC1 ZINC000483531157 331878662 /nfs/dbraw/zinc/87/86/62/331878662.db2.gz LZVBTZVCHHRLAU-UHFFFAOYSA-N 1 1 284.447 3.092 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1ncc(Br)s1)C(C)(C)C ZINC000309077198 332935397 /nfs/dbraw/zinc/93/53/97/332935397.db2.gz LXCTUKVXHLRYIF-MRVPVSSYSA-N 1 1 287.226 3.043 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCSC[C@H](C)C1 ZINC000488370337 332002421 /nfs/dbraw/zinc/00/24/21/332002421.db2.gz GWNSESISFSWXLT-CQSZACIVSA-N 1 1 277.433 3.436 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCSC[C@@H](C)C2)cc1 ZINC000488398547 332004120 /nfs/dbraw/zinc/00/41/20/332004120.db2.gz QDAUBVVEGJOTCE-AWEZNQCLSA-N 1 1 277.433 3.436 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1cc(C(=O)OC)ccc1F ZINC000489447036 332053003 /nfs/dbraw/zinc/05/30/03/332053003.db2.gz JLQTVUDYIRAKRY-AWEZNQCLSA-N 1 1 277.339 3.153 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(C(=O)OC)ccc1F ZINC000489447036 332053005 /nfs/dbraw/zinc/05/30/05/332053005.db2.gz JLQTVUDYIRAKRY-AWEZNQCLSA-N 1 1 277.339 3.153 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)N1c2ccccc2C[C@H]1C ZINC000489481330 332055229 /nfs/dbraw/zinc/05/52/29/332055229.db2.gz TVRRMFZKQMOIQP-GDBMZVCRSA-N 1 1 284.403 3.005 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N1c2ccccc2C[C@H]1C ZINC000489481330 332055230 /nfs/dbraw/zinc/05/52/30/332055230.db2.gz TVRRMFZKQMOIQP-GDBMZVCRSA-N 1 1 284.403 3.005 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000489499849 332056828 /nfs/dbraw/zinc/05/68/28/332056828.db2.gz RGBSKXXHYWJCPB-CQSZACIVSA-N 1 1 260.337 3.444 20 30 CGEDMO C=CC[C@@H](C(=O)Nc1cc[nH+]c(N(C)C)c1)c1ccccc1 ZINC000489582306 332060088 /nfs/dbraw/zinc/06/00/88/332060088.db2.gz GRANDYGIAJRRDA-MRXNPFEDSA-N 1 1 295.386 3.446 20 30 CGEDMO Cc1ccc([C@@H]2C[C@@H](C)[N@H+](CC3(C#N)CC3)C2)cc1 ZINC000490073658 332080171 /nfs/dbraw/zinc/08/01/71/332080171.db2.gz RCBZGRMSYGKTDX-GDBMZVCRSA-N 1 1 254.377 3.477 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000491754884 332329722 /nfs/dbraw/zinc/32/97/22/332329722.db2.gz WFJOAFHWEXJQLW-OAHLLOKOSA-N 1 1 292.382 3.392 20 30 CGEDMO C=CCn1c2ccccc2nc1SC[C@@H]1CC[N@H+](C)C1 ZINC000190959059 333212840 /nfs/dbraw/zinc/21/28/40/333212840.db2.gz HDYMPMNZCCSKNE-CYBMUJFWSA-N 1 1 287.432 3.266 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000193318552 333247719 /nfs/dbraw/zinc/24/77/19/333247719.db2.gz LFVGUUINPXESIT-KSZLIROESA-N 1 1 294.483 3.306 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCCC[C@H]1CC ZINC000523557898 333333147 /nfs/dbraw/zinc/33/31/47/333333147.db2.gz FTNJOILQXDULIA-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000576035198 335143862 /nfs/dbraw/zinc/14/38/62/335143862.db2.gz FCJCWHNFMKQICJ-LSDHHAIUSA-N 1 1 264.413 3.207 20 30 CGEDMO C=CCCN(C)[C@@H]1CCCC[C@H]1[N@@H+](C)CCC=C ZINC000545922473 334006290 /nfs/dbraw/zinc/00/62/90/334006290.db2.gz QMSMATFWFGDSIO-HZPDHXFCSA-N 1 1 250.430 3.313 20 30 CGEDMO C[N@H+](CC#Cc1ccccc1Cl)C[C@H]1CCCCO1 ZINC000135001214 334111438 /nfs/dbraw/zinc/11/14/38/334111438.db2.gz XKOHHHHZONWHAA-OAHLLOKOSA-N 1 1 277.795 3.192 20 30 CGEDMO C[N@@H+](CC#Cc1ccccc1Cl)C[C@H]1CCCCO1 ZINC000135001214 334111439 /nfs/dbraw/zinc/11/14/39/334111439.db2.gz XKOHHHHZONWHAA-OAHLLOKOSA-N 1 1 277.795 3.192 20 30 CGEDMO C[C@H]([NH2+]CCC#N)c1ccc(OCc2cccnc2)cc1 ZINC000548947489 334181266 /nfs/dbraw/zinc/18/12/66/334181266.db2.gz ZIRKGZFQTZLZBU-AWEZNQCLSA-N 1 1 281.359 3.225 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@@]1(C)Cc1ccccc1 ZINC000549554961 334197872 /nfs/dbraw/zinc/19/78/72/334197872.db2.gz OGKASDMYEDYJHE-KRWDZBQOSA-N 1 1 259.393 3.286 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000550010345 334211462 /nfs/dbraw/zinc/21/14/62/334211462.db2.gz QOUYZYIMPMRAMJ-AWEZNQCLSA-N 1 1 251.757 3.369 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)c1 ZINC000552423019 334326121 /nfs/dbraw/zinc/32/61/21/334326121.db2.gz NKRHPHWJCCIHOK-MOPGFXCFSA-N 1 1 299.414 3.395 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)c1 ZINC000552423019 334326122 /nfs/dbraw/zinc/32/61/22/334326122.db2.gz NKRHPHWJCCIHOK-MOPGFXCFSA-N 1 1 299.414 3.395 20 30 CGEDMO C[N@@H+](CCc1cccs1)Cc1ccc(CC#N)cc1 ZINC000343534207 335207450 /nfs/dbraw/zinc/20/74/50/335207450.db2.gz IHYQXHKULSWSAQ-UHFFFAOYSA-N 1 1 270.401 3.489 20 30 CGEDMO C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cccc(F)c1C#N ZINC000576568989 335219668 /nfs/dbraw/zinc/21/96/68/335219668.db2.gz GAJITUQFADLPIA-CQSZACIVSA-N 1 1 298.361 3.080 20 30 CGEDMO C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cccc(F)c1C#N ZINC000576568989 335219670 /nfs/dbraw/zinc/21/96/70/335219670.db2.gz GAJITUQFADLPIA-CQSZACIVSA-N 1 1 298.361 3.080 20 30 CGEDMO C[C@@H](COc1ccc(C(C)(C)C)cc1)[NH2+]CCC#N ZINC000577055097 335291879 /nfs/dbraw/zinc/29/18/79/335291879.db2.gz HSARTTUSLJVKSA-ZDUSSCGKSA-N 1 1 260.381 3.255 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCCC[C@H]1C1(O)CC1 ZINC000577265959 335332116 /nfs/dbraw/zinc/33/21/16/335332116.db2.gz MESBGNBEEWIMHX-AWEZNQCLSA-N 1 1 264.413 3.086 20 30 CGEDMO Cc1csc(C(C)(C)[NH2+]Cc2ccc(C#N)s2)n1 ZINC000176971299 335348961 /nfs/dbraw/zinc/34/89/61/335348961.db2.gz TWCSIPWBIOGWCA-UHFFFAOYSA-N 1 1 277.418 3.410 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000577586126 335373907 /nfs/dbraw/zinc/37/39/07/335373907.db2.gz ZHVHHNUCXFZLQQ-CYBMUJFWSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CC[N@H+](CCSC)Cc1ccc(OC)cc1 ZINC000194203954 336009024 /nfs/dbraw/zinc/00/90/24/336009024.db2.gz QJHSOKDBNMPPGB-UHFFFAOYSA-N 1 1 251.395 3.046 20 30 CGEDMO CC[C@@H](C)[C@@H](C)[N@@H+](CC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000581421065 336074455 /nfs/dbraw/zinc/07/44/55/336074455.db2.gz JLFSRABOHGGSAU-ZIAGYGMSSA-N 1 1 299.418 3.396 20 30 CGEDMO C[C@@H](C[N@H+](C)Cc1cccc(F)c1C#N)c1nccs1 ZINC000428327942 533743588 /nfs/dbraw/zinc/74/35/88/533743588.db2.gz WJMKNTBZIVZBGI-NSHDSACASA-N 1 1 289.379 3.389 20 30 CGEDMO C[C@@H](C[N@@H+](C)Cc1cccc(F)c1C#N)c1nccs1 ZINC000428327942 533743589 /nfs/dbraw/zinc/74/35/89/533743589.db2.gz WJMKNTBZIVZBGI-NSHDSACASA-N 1 1 289.379 3.389 20 30 CGEDMO C[C@H]1CC[C@]2(CC[N@@H+](CC(=O)Nc3cccc(C#N)c3)C2)C1 ZINC000359567275 533774479 /nfs/dbraw/zinc/77/44/79/533774479.db2.gz WUIZDNIWHVRENO-KSSFIOAISA-N 1 1 297.402 3.009 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(F)cn1)c1ccc(C#N)cc1F ZINC000358587431 533918820 /nfs/dbraw/zinc/91/88/20/533918820.db2.gz KCLHTCXCBKZJGU-JTQLQIEISA-N 1 1 273.286 3.082 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccc(C#N)o1 ZINC000425365694 534080869 /nfs/dbraw/zinc/08/08/69/534080869.db2.gz MLSKUXLSBKPTML-LBPRGKRZSA-N 1 1 265.316 3.216 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000425365694 534080877 /nfs/dbraw/zinc/08/08/77/534080877.db2.gz MLSKUXLSBKPTML-LBPRGKRZSA-N 1 1 265.316 3.216 20 30 CGEDMO Cc1ccc(-c2ncc(C[NH2+][C@@H]3CCC[C@@H]3C#N)s2)o1 ZINC000350458608 534217359 /nfs/dbraw/zinc/21/73/59/534217359.db2.gz KAOKPJXIYHZUMC-DGCLKSJQSA-N 1 1 287.388 3.493 20 30 CGEDMO COC(=O)c1coc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425365612 534314898 /nfs/dbraw/zinc/31/48/98/534314898.db2.gz MENHTBDOJHLOIY-LBPRGKRZSA-N 1 1 298.342 3.131 20 30 CGEDMO COC(=O)c1coc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425365612 534314899 /nfs/dbraw/zinc/31/48/99/534314899.db2.gz MENHTBDOJHLOIY-LBPRGKRZSA-N 1 1 298.342 3.131 20 30 CGEDMO COC(=O)c1coc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425365611 534315009 /nfs/dbraw/zinc/31/50/09/534315009.db2.gz MENHTBDOJHLOIY-GFCCVEGCSA-N 1 1 298.342 3.131 20 30 CGEDMO COC(=O)c1coc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425365611 534315010 /nfs/dbraw/zinc/31/50/10/534315010.db2.gz MENHTBDOJHLOIY-GFCCVEGCSA-N 1 1 298.342 3.131 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)o1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000093511016 523212667 /nfs/dbraw/zinc/21/26/67/523212667.db2.gz WMGPDXXSDSGOGD-MRXNPFEDSA-N 1 1 295.386 3.252 20 30 CGEDMO C[N@H+](Cc1cn2ccccc2c1C#N)CC1CCC1 ZINC000111296068 523495205 /nfs/dbraw/zinc/49/52/05/523495205.db2.gz KTKXMVYPEFKLDQ-UHFFFAOYSA-N 1 1 253.349 3.043 20 30 CGEDMO N#Cc1c(F)cccc1C[NH+]1CCC(OCC2CC2)CC1 ZINC000428214032 534764458 /nfs/dbraw/zinc/76/44/58/534764458.db2.gz XNFOSIFMGVEUJB-UHFFFAOYSA-N 1 1 288.366 3.088 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(OC)c(C#N)c1 ZINC000352702204 526327432 /nfs/dbraw/zinc/32/74/32/526327432.db2.gz UCJULDLOKZZLFI-UHFFFAOYSA-N 1 1 296.370 3.391 20 30 CGEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cccc(C)n1 ZINC000347383453 526347535 /nfs/dbraw/zinc/34/75/35/526347535.db2.gz LOJCAYBILFIRNG-UHFFFAOYSA-N 1 1 277.371 3.450 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(C)n1 ZINC000347383453 526347540 /nfs/dbraw/zinc/34/75/40/526347540.db2.gz LOJCAYBILFIRNG-UHFFFAOYSA-N 1 1 277.371 3.450 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1F)C[C@@H]1CC[C@@H](C)O1 ZINC000354872579 526364325 /nfs/dbraw/zinc/36/43/25/526364325.db2.gz QKXXQVORSYFZJB-HIFRSBDPSA-N 1 1 263.356 3.381 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@@H]1CC[C@@H](C)O1 ZINC000354872579 526364330 /nfs/dbraw/zinc/36/43/30/526364330.db2.gz QKXXQVORSYFZJB-HIFRSBDPSA-N 1 1 263.356 3.381 20 30 CGEDMO C=C(C)C[NH+]1CCC(NCC2=Cc3ccccc3OC2)CC1 ZINC000106245251 526601616 /nfs/dbraw/zinc/60/16/16/526601616.db2.gz BEAHAXPMAREOOX-UHFFFAOYSA-N 1 1 298.430 3.093 20 30 CGEDMO C=C(C)C[NH+]1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000348332005 526608126 /nfs/dbraw/zinc/60/81/26/526608126.db2.gz SNRNRBTZKBFGRT-MRXNPFEDSA-N 1 1 289.810 3.098 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)s1 ZINC000291518039 526609426 /nfs/dbraw/zinc/60/94/26/526609426.db2.gz IWRFSFKEBSQIJZ-CQSZACIVSA-N 1 1 258.390 3.384 20 30 CGEDMO C=CCOCCC[N@H+]1CCC[C@H]1c1ccsc1 ZINC000347965363 526756027 /nfs/dbraw/zinc/75/60/27/526756027.db2.gz LTGJLZGBMYPEFZ-AWEZNQCLSA-N 1 1 251.395 3.478 20 30 CGEDMO C=CCOc1ccccc1C[N@H+](C)CCCOC(C)C ZINC000353707998 526930155 /nfs/dbraw/zinc/93/01/55/526930155.db2.gz HKJHMDHKUOEWNA-UHFFFAOYSA-N 1 1 277.408 3.498 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1C[C@@H](CC)O[C@@H](C)C1 ZINC000352721139 526933826 /nfs/dbraw/zinc/93/38/26/526933826.db2.gz ZNYNNSKEQFLXJY-GOEBONIOSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1C[C@@H](CC)O[C@@H](C)C1 ZINC000352721139 526933831 /nfs/dbraw/zinc/93/38/31/526933831.db2.gz ZNYNNSKEQFLXJY-GOEBONIOSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CCCCCCN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC000352276083 527126637 /nfs/dbraw/zinc/12/66/37/527126637.db2.gz RRTVATVVMLVNOU-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1nnc(-c2cc(C)oc2C)o1 ZINC000332184856 527606066 /nfs/dbraw/zinc/60/60/66/527606066.db2.gz NWAQKMREKSMBRC-ZDUSSCGKSA-N 1 1 287.363 3.487 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nnc(-c2cc(C)oc2C)o1 ZINC000332184856 527606077 /nfs/dbraw/zinc/60/60/77/527606077.db2.gz NWAQKMREKSMBRC-ZDUSSCGKSA-N 1 1 287.363 3.487 20 30 CGEDMO CCC(=O)CCC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425529606 528285077 /nfs/dbraw/zinc/28/50/77/528285077.db2.gz CEBIHVWDYXIJLP-ZDUSSCGKSA-N 1 1 258.365 3.310 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](CC(C)(C)CCC#N)CCCO1 ZINC000354780084 528745961 /nfs/dbraw/zinc/74/59/61/528745961.db2.gz AQFHDDFKASBGMQ-AWEZNQCLSA-N 1 1 252.402 3.063 20 30 CGEDMO CCOC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439433873 528924784 /nfs/dbraw/zinc/92/47/84/528924784.db2.gz ABBWBRLJKRUAEB-CQSZACIVSA-N 1 1 292.810 3.460 20 30 CGEDMO CC1(C)C[C@@H](O)CC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000334636991 529141902 /nfs/dbraw/zinc/14/19/02/529141902.db2.gz HXYIHSNLOCLPQS-HNNXBMFYSA-N 1 1 278.440 3.333 20 30 CGEDMO CC[C@@H]1CC[C@H](C)[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000312984780 535824332 /nfs/dbraw/zinc/82/43/32/535824332.db2.gz YASMPXDGOAXQMV-LSDHHAIUSA-N 1 1 299.418 3.397 20 30 CGEDMO C#CC[N@@H+](CC#CC)Cc1ccc(OCC(F)(F)F)cc1 ZINC000743852176 572407585 /nfs/dbraw/zinc/40/75/85/572407585.db2.gz CNSRJILYMRMRKZ-UHFFFAOYSA-N 1 1 295.304 3.086 20 30 CGEDMO C#CC[N@H+](CC#CC)Cc1ccc(OCC(F)(F)F)cc1 ZINC000743852176 572407588 /nfs/dbraw/zinc/40/75/88/572407588.db2.gz CNSRJILYMRMRKZ-UHFFFAOYSA-N 1 1 295.304 3.086 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CC[C@@H](c3ccco3)C2)cc1 ZINC000732205955 572452938 /nfs/dbraw/zinc/45/29/38/572452938.db2.gz OKUVMWFGZSMWNW-OAHLLOKOSA-N 1 1 282.343 3.171 20 30 CGEDMO C=C(C)COC(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC000732348135 572460418 /nfs/dbraw/zinc/46/04/18/572460418.db2.gz BRIRJMOEZQRJLF-HNNXBMFYSA-N 1 1 261.365 3.189 20 30 CGEDMO C=C(Br)C[N@@H+](C)[C@H]1C[C@H](OCC)C1(C)C ZINC000741054851 572480054 /nfs/dbraw/zinc/48/00/54/572480054.db2.gz YQULYZHCJSCPTL-QWRGUYRKSA-N 1 1 276.218 3.030 20 30 CGEDMO C=C(Br)C[N@H+](C)[C@H]1C[C@H](OCC)C1(C)C ZINC000741054851 572480055 /nfs/dbraw/zinc/48/00/55/572480055.db2.gz YQULYZHCJSCPTL-QWRGUYRKSA-N 1 1 276.218 3.030 20 30 CGEDMO C=C(C)COC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000741355654 572494643 /nfs/dbraw/zinc/49/46/43/572494643.db2.gz VJDTWFXBMVWLFN-MRXNPFEDSA-N 1 1 273.376 3.160 20 30 CGEDMO C=C(C)COC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000741355654 572494647 /nfs/dbraw/zinc/49/46/47/572494647.db2.gz VJDTWFXBMVWLFN-MRXNPFEDSA-N 1 1 273.376 3.160 20 30 CGEDMO C[C@@H]1CC(N=Nc2nccc3sccc32)CC[N@H+]1C ZINC000741461740 572499611 /nfs/dbraw/zinc/49/96/11/572499611.db2.gz PXKFKNLWBUQEJJ-SNVBAGLBSA-N 1 1 274.393 3.178 20 30 CGEDMO C#CC[N@H+](CCCSC)[C@@H]1CCc2ccccc21 ZINC000741754522 572522365 /nfs/dbraw/zinc/52/23/65/572522365.db2.gz RHGCIIGAFQJXSU-MRXNPFEDSA-N 1 1 259.418 3.362 20 30 CGEDMO C=C(Cl)CN1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000747532407 572589788 /nfs/dbraw/zinc/58/97/88/572589788.db2.gz XKRMEDPOVICDDJ-HNNXBMFYSA-N 1 1 278.827 3.335 20 30 CGEDMO C=CC[N@H+](Cc1ccn(-c2ccc(F)cc2)n1)C(C)C ZINC000743841634 572686831 /nfs/dbraw/zinc/68/68/31/572686831.db2.gz OVUKOUSKWOCJGQ-UHFFFAOYSA-N 1 1 273.355 3.408 20 30 CGEDMO C=CC[N@@H+](Cc1ccn(-c2ccc(F)cc2)n1)C(C)C ZINC000743841634 572686835 /nfs/dbraw/zinc/68/68/35/572686835.db2.gz OVUKOUSKWOCJGQ-UHFFFAOYSA-N 1 1 273.355 3.408 20 30 CGEDMO C#CCC[NH+]1CCN(C(=O)[C@@H](CC)CCCCCC)CC1 ZINC000735039724 572696364 /nfs/dbraw/zinc/69/63/64/572696364.db2.gz LAEHWFGSMOVZBI-KRWDZBQOSA-N 1 1 292.467 3.151 20 30 CGEDMO C#CC[N@H+](CCc1ccc(C)cc1)Cc1ccco1 ZINC000736308349 572780778 /nfs/dbraw/zinc/78/07/78/572780778.db2.gz IIAOZFMBEWGQBZ-UHFFFAOYSA-N 1 1 253.345 3.266 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](C)[C@@H]1CNC(=O)OC(C)(C)C ZINC000747971020 572956833 /nfs/dbraw/zinc/95/68/33/572956833.db2.gz XGIFMVVJOZKJIJ-KGLIPLIRSA-N 1 1 282.428 3.188 20 30 CGEDMO COc1ccc(C[N@H+]2CCc3c(C)cccc3C2)cc1C#N ZINC000749513994 573014839 /nfs/dbraw/zinc/01/48/39/573014839.db2.gz IRMVFJXASOURMM-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO C#CC[N@H+](Cc1cc(F)cc(Br)c1)C1CC1 ZINC000763956624 627187728 /nfs/dbraw/zinc/18/77/28/627187728.db2.gz SJEVFOLGYXGUNC-UHFFFAOYSA-N 1 1 282.156 3.186 20 30 CGEDMO C=C(CC)C[N@H+](CC)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000823878048 608309839 /nfs/dbraw/zinc/30/98/39/608309839.db2.gz NAAVIAISEPYWSQ-ZDUSSCGKSA-N 1 1 285.395 3.216 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)C(C)(C)CC)C2)C1 ZINC000981974974 613250717 /nfs/dbraw/zinc/25/07/17/613250717.db2.gz HCGMWSQQVXZBRX-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)C=C2CCC2)CC1 ZINC000948290336 613256192 /nfs/dbraw/zinc/25/61/92/613256192.db2.gz LRJQUANBVYBZSU-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2(F)CCCC2)C[C@H]1C ZINC000947468279 613265350 /nfs/dbraw/zinc/26/53/50/613265350.db2.gz IHHODABTIALBGY-HUUCEWRRSA-N 1 1 296.430 3.204 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2(C)CC=CC2)C[C@H]1C ZINC000947693552 613265458 /nfs/dbraw/zinc/26/54/58/613265458.db2.gz OEKVABBOHFSFDD-HZPDHXFCSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2cccs2)[C@H](C)C1 ZINC000941773647 613267505 /nfs/dbraw/zinc/26/75/05/613267505.db2.gz WUXUXSUADIZYIF-ZIAGYGMSSA-N 1 1 292.448 3.155 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CC2CCC2)C[C@H]1C ZINC000947165390 613270988 /nfs/dbraw/zinc/27/09/88/613270988.db2.gz FSFRQLREUBGCIP-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]2CCC)CC1 ZINC000981503525 613309375 /nfs/dbraw/zinc/30/93/75/613309375.db2.gz NRPIUYDPFFEGPR-DLBZAZTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@@]2(CC)C(C)C)CC1 ZINC000983389435 613311410 /nfs/dbraw/zinc/31/14/10/613311410.db2.gz JZPUNTRZFSGCAV-AEFFLSMTSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(F)=C2CCCC2)C1 ZINC000965894098 613323858 /nfs/dbraw/zinc/32/38/58/613323858.db2.gz BSODMFAMZYYMPC-HIFRSBDPSA-N 1 1 294.414 3.187 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C)cc2)C1 ZINC000968578254 613324234 /nfs/dbraw/zinc/32/42/34/613324234.db2.gz CPDJTAKLSHXRJK-WBVHZDCISA-N 1 1 286.419 3.011 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2C=CCC2)C(C)(C)C1 ZINC000940562553 613327657 /nfs/dbraw/zinc/32/76/57/613327657.db2.gz FRNNJPUYPSZSPD-HZPDHXFCSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[C@H]2C=CCC2)C(C)(C)C1 ZINC000940562557 613327772 /nfs/dbraw/zinc/32/77/72/613327772.db2.gz FRNNJPUYPSZSPD-JKSUJKDBSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)C[C@@H]1C ZINC000947949635 613328537 /nfs/dbraw/zinc/32/85/37/613328537.db2.gz YLSLQUGGVIOVOY-LUKYLMHMSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)s2)C[C@H]1C ZINC000947000251 613329786 /nfs/dbraw/zinc/32/97/86/613329786.db2.gz GOSQVAASJQAELF-TZMCWYRMSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2CCC(=C)CC2)C1 ZINC000968190790 613333419 /nfs/dbraw/zinc/33/34/19/613333419.db2.gz MHRMSKYOYYRZPA-DOTOQJQBSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cscc2C)C[C@H]1C ZINC000947149048 613337054 /nfs/dbraw/zinc/33/70/54/613337054.db2.gz XSTNBBBMMJMILC-KGLIPLIRSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)CC2CCCCC2)C(C)(C)C1 ZINC000972788533 613341617 /nfs/dbraw/zinc/34/16/17/613341617.db2.gz IMOJHNPLWAFJBJ-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C=C2CCC2)C(C)(C)C1 ZINC000940668908 613376422 /nfs/dbraw/zinc/37/64/22/613376422.db2.gz BOUZZSRDXNSYOZ-CQSZACIVSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C=C2CCC2)C(C)(C)C1 ZINC000940668908 613376423 /nfs/dbraw/zinc/37/64/23/613376423.db2.gz BOUZZSRDXNSYOZ-CQSZACIVSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CC(C)(C)C2)C[C@H]1C ZINC000947271296 613378516 /nfs/dbraw/zinc/37/85/16/613378516.db2.gz GFTIQBUXAVREPI-OCCSQVGLSA-N 1 1 298.858 3.144 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CC(C)(C)C2)C[C@H]1C ZINC000947271296 613378517 /nfs/dbraw/zinc/37/85/17/613378517.db2.gz GFTIQBUXAVREPI-OCCSQVGLSA-N 1 1 298.858 3.144 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](CC(C)C)C[C@@H]2C)CC1 ZINC000942600771 613409950 /nfs/dbraw/zinc/40/99/50/613409950.db2.gz UUUCKQSVYJGSFV-DOTOQJQBSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CC3)[C@@H](C)C2)CC1 ZINC000947690243 613411958 /nfs/dbraw/zinc/41/19/58/613411958.db2.gz SNFNEDIRIPTGFC-YOEHRIQHSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[N@H+](CC(CC)CC)CC1 ZINC000981754289 613430954 /nfs/dbraw/zinc/43/09/54/613430954.db2.gz BPBMNLCARBODMZ-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2C[N@@H+](CCC)C[C@H]2CC1 ZINC000946762102 613474964 /nfs/dbraw/zinc/47/49/64/613474964.db2.gz PUPMCRQHJSYLOZ-JZXOWHBKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2C[N@@H+](C(C)C)C[C@H]2CC1 ZINC000946762470 613475040 /nfs/dbraw/zinc/47/50/40/613475040.db2.gz XSTRPUODVVKZEW-JZXOWHBKSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2C[C@@]2(CC)C(C)C)C1 ZINC000957066986 613478430 /nfs/dbraw/zinc/47/84/30/613478430.db2.gz ITKQTZVHWGRMOZ-AEFFLSMTSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCCC[C@@H]2CC)C1 ZINC000957072109 613478478 /nfs/dbraw/zinc/47/84/78/613478478.db2.gz ZMMWSRJKYCAXEQ-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)C1CCCC1 ZINC000968729347 613491341 /nfs/dbraw/zinc/49/13/41/613491341.db2.gz CNIPNJRDHJODNS-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)[C@H]2CCCC[C@@H]2CC)CC1 ZINC000983389985 613495068 /nfs/dbraw/zinc/49/50/68/613495068.db2.gz MRCAWMHNJSXHHO-IRXDYDNUSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)c2occc2C(C)C)CC1 ZINC000981810153 613498883 /nfs/dbraw/zinc/49/88/83/613498883.db2.gz VUOZNAFCEFTOSV-UHFFFAOYSA-N 1 1 290.407 3.127 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)/C(C)=C\C)C1 ZINC000963281791 613500285 /nfs/dbraw/zinc/50/02/85/613500285.db2.gz MUSLBYLRFYZTSV-PACMQTEUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccsc2)CC1 ZINC000948169349 613500335 /nfs/dbraw/zinc/50/03/35/613500335.db2.gz IYHONMCJVSZIHS-OAHLLOKOSA-N 1 1 292.448 3.251 20 30 CGEDMO C=Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(=C)C)C[C@@H]2C)cc1 ZINC000942892192 613515730 /nfs/dbraw/zinc/51/57/30/613515730.db2.gz DOSKZUHDZSLZIR-YJBOKZPZSA-N 1 1 298.430 3.346 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C23CCC(CC2)C3)C[C@H]1C ZINC000947449980 613519170 /nfs/dbraw/zinc/51/91/70/613519170.db2.gz MDIWBMKJCALJER-JBCIKUTRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C=C2CCCCC2)C[C@@H]1C ZINC000947109430 613520050 /nfs/dbraw/zinc/52/00/50/613520050.db2.gz VILSREDAWXMQHK-DOTOQJQBSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)s2)C[C@H]1C ZINC000948086133 613524599 /nfs/dbraw/zinc/52/45/99/613524599.db2.gz LNRVKTSSIGWCHQ-VXGBXAGGSA-N 1 1 296.411 3.046 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C[C@H]1C ZINC000947949746 613537293 /nfs/dbraw/zinc/53/72/93/613537293.db2.gz ZRGBEOCLVQBPMZ-VQHPVUNQSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC)o2)C[C@@H]1C ZINC000947460526 613538343 /nfs/dbraw/zinc/53/83/43/613538343.db2.gz VGCOVYYBGYFORV-KBPBESRZSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2occc2CC)C[C@@H]1C ZINC000947690463 613542755 /nfs/dbraw/zinc/54/27/55/613542755.db2.gz WXRDIWDIYXUFBB-ZFWWWQNUSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CCC[N@H+]1C[C@H](NC(=O)C2(F)CCCCC2)C(C)(C)C1 ZINC000977419359 613553570 /nfs/dbraw/zinc/55/35/70/613553570.db2.gz MOXOPUWSOTWYON-AWEZNQCLSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)C2(C)CCCCCC2)C1 ZINC000971694331 613626368 /nfs/dbraw/zinc/62/63/68/613626368.db2.gz ZDAAMTRCTQOVQO-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](CC)CC2CCCC2)C1 ZINC000972471222 613633016 /nfs/dbraw/zinc/63/30/16/613633016.db2.gz CJVOAZSOVDGNQO-SJORKVTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccsc1C ZINC000968849810 613684867 /nfs/dbraw/zinc/68/48/67/613684867.db2.gz HDLHATBKFWJKFQ-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC000969018175 613686132 /nfs/dbraw/zinc/68/61/32/613686132.db2.gz XJYPRZTUFKPHAP-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)[C@@H](CC)CC2CCCC2)CC1 ZINC000982071687 613690573 /nfs/dbraw/zinc/69/05/73/613690573.db2.gz HXJUZVJUCZPKCW-KRWDZBQOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)C2CC3(CCC3)C2)CC1 ZINC000948676419 613700269 /nfs/dbraw/zinc/70/02/69/613700269.db2.gz VMXQOELLPDAKNP-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)(C)C=C)C1 ZINC000963351099 613706173 /nfs/dbraw/zinc/70/61/73/613706173.db2.gz GDKNLKFKZQJFTI-CVEARBPZSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)C=C)C1 ZINC000963351100 613706456 /nfs/dbraw/zinc/70/64/56/613706456.db2.gz GDKNLKFKZQJFTI-HOTGVXAUSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2occc2C(C)C)C1 ZINC000967994360 613732352 /nfs/dbraw/zinc/73/23/52/613732352.db2.gz MYADPXAHWFVMJD-HIFRSBDPSA-N 1 1 290.407 3.029 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cc(Cl)cs2)C[C@@H]1C ZINC000947776052 613750291 /nfs/dbraw/zinc/75/02/91/613750291.db2.gz SZLKVIXCVFAIRW-CMPLNLGQSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)cc2C)C[C@@H]1C ZINC000947993446 613751684 /nfs/dbraw/zinc/75/16/84/613751684.db2.gz BOVUHZPCZFSFLJ-JKSUJKDBSA-N 1 1 286.419 3.072 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2sccc2CC)C[C@H]1C ZINC000948067491 613762811 /nfs/dbraw/zinc/76/28/11/613762811.db2.gz XITOJQWFWSFXRT-TZMCWYRMSA-N 1 1 292.448 3.079 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)C2(C)CCCCCC2)[C@@H](C)C1 ZINC000942133875 613779619 /nfs/dbraw/zinc/77/96/19/613779619.db2.gz HWSUYFIEGFODDD-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)C2CCC(=C)CC2)C(C)(C)C1 ZINC000940999504 613780341 /nfs/dbraw/zinc/78/03/41/613780341.db2.gz JJVIGMSEIAUWIF-INIZCTEOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C[C@H]1C ZINC000947953417 613784245 /nfs/dbraw/zinc/78/42/45/613784245.db2.gz NWHNQRWDELQBRR-VQHPVUNQSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941008284 613784857 /nfs/dbraw/zinc/78/48/57/613784857.db2.gz MBHFLKDXIULDTH-GJZGRUSLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C3CC3)cc2)C[C@H]1C ZINC000948061246 613789890 /nfs/dbraw/zinc/78/98/90/613789890.db2.gz QPRXZIOPFJVFQJ-KDOFPFPSSA-N 1 1 298.430 3.333 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2sccc2Cl)C[C@H]1C ZINC000947329264 613801916 /nfs/dbraw/zinc/80/19/16/613801916.db2.gz WGRGUTFYFKQPRF-MNOVXSKESA-N 1 1 298.839 3.170 20 30 CGEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCCCCCC1 ZINC000083127489 617797825 /nfs/dbraw/zinc/79/78/25/617797825.db2.gz KMVQZQYSGRNPAN-MRXNPFEDSA-N 1 1 286.375 3.038 20 30 CGEDMO C=C(C)CNN=C1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000811650647 617657777 /nfs/dbraw/zinc/65/77/77/617657777.db2.gz JSUQDFAXQQOGFM-HNNXBMFYSA-N 1 1 271.408 3.050 20 30 CGEDMO C=CC[N@H+](CCCCCCO)Cc1ccccc1F ZINC000175750875 617676887 /nfs/dbraw/zinc/67/68/87/617676887.db2.gz VLJITWBVWDSEPB-UHFFFAOYSA-N 1 1 265.372 3.366 20 30 CGEDMO CC(=[NH+]OC/C=C/Cl)c1ccccc1N(C)C ZINC000811670581 617712334 /nfs/dbraw/zinc/71/23/34/617712334.db2.gz WDRAEIOAPHGUSF-LSRQXAJVSA-N 1 1 252.745 3.246 20 30 CGEDMO C=CCCCN(CC)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC000890811124 617867318 /nfs/dbraw/zinc/86/73/18/617867318.db2.gz REUHEENFESJKOT-CQSZACIVSA-N 1 1 277.412 3.211 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC(C)C)C1 ZINC001021506020 618014821 /nfs/dbraw/zinc/01/48/21/618014821.db2.gz QNAFRHHYSSWYLP-IRXDYDNUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC(C)C)C1 ZINC001021505110 618015596 /nfs/dbraw/zinc/01/55/96/618015596.db2.gz IMVQHIHJRUCHQI-GJZGRUSLSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC(C)C)C1 ZINC001021505110 618015601 /nfs/dbraw/zinc/01/56/01/618015601.db2.gz IMVQHIHJRUCHQI-GJZGRUSLSA-N 1 1 298.858 3.098 20 30 CGEDMO C=CCCC[C@@H](C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810910267 618062525 /nfs/dbraw/zinc/06/25/25/618062525.db2.gz FVEOTWWIVULJJW-CJNGLKHVSA-N 1 1 284.419 3.060 20 30 CGEDMO CCCCCCC[C@@H](C)CNC(=O)Cc1cnc[nH]1 ZINC000900310514 620778998 /nfs/dbraw/zinc/77/89/98/620778998.db2.gz HJAYKFQJNGCWIJ-CYBMUJFWSA-N 1 1 265.401 3.065 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2cnsn2)CCCC1(C)C ZINC000846878589 618145346 /nfs/dbraw/zinc/14/53/46/618145346.db2.gz IFHOCJRJZBUVSW-LBPRGKRZSA-N 1 1 251.399 3.105 20 30 CGEDMO C=CC[C@@H]1[N@H+](Cc2cnsn2)CCCC1(C)C ZINC000846878589 618145351 /nfs/dbraw/zinc/14/53/51/618145351.db2.gz IFHOCJRJZBUVSW-LBPRGKRZSA-N 1 1 251.399 3.105 20 30 CGEDMO CC(C)C[N@H+](CCC#N)C[C@@H]1C[C@]1(C)Br ZINC000891464987 618228216 /nfs/dbraw/zinc/22/82/16/618228216.db2.gz MSGPPBOTAIHZOU-RYUDHWBXSA-N 1 1 273.218 3.032 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)C[C@@H]1C[C@]1(C)Br ZINC000891464987 618228220 /nfs/dbraw/zinc/22/82/20/618228220.db2.gz MSGPPBOTAIHZOU-RYUDHWBXSA-N 1 1 273.218 3.032 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000933913740 618371856 /nfs/dbraw/zinc/37/18/56/618371856.db2.gz DWYYCLYRSQPOAU-XHSDSOJGSA-N 1 1 278.440 3.062 20 30 CGEDMO COC1CCC([N@@H+](C)Cc2csc(C#N)c2)CC1 ZINC000892044464 618502346 /nfs/dbraw/zinc/50/23/46/618502346.db2.gz JXLVRQLRWUKHOQ-UHFFFAOYSA-N 1 1 264.394 3.009 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCCN(c2ccccc2OC)CC1 ZINC000934179939 618520000 /nfs/dbraw/zinc/52/00/00/618520000.db2.gz LMOLIDVGIWRONE-OAHLLOKOSA-N 1 1 274.408 3.172 20 30 CGEDMO N#CC1CCN(c2[nH+]ccc3c4c([nH]c32)CCCC4)CC1 ZINC000892138031 618553959 /nfs/dbraw/zinc/55/39/59/618553959.db2.gz XPHWYBFUAHYBMM-UHFFFAOYSA-N 1 1 280.375 3.182 20 30 CGEDMO COCCCC1(C[N@@H+](C[C@H](C)C#N)C2CC2)CCC1 ZINC000892195241 618586234 /nfs/dbraw/zinc/58/62/34/618586234.db2.gz ONVRCNUXJPNLPU-CQSZACIVSA-N 1 1 264.413 3.207 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000934460483 618622837 /nfs/dbraw/zinc/62/28/37/618622837.db2.gz JMPYOKKZOKQYSY-FZMZJTMJSA-N 1 1 269.747 3.163 20 30 CGEDMO Cc1noc(C)c1C[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC000051705833 618633091 /nfs/dbraw/zinc/63/30/91/618633091.db2.gz CHXVMADSKAGNEZ-UHFFFAOYSA-N 1 1 299.374 3.064 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1cc2ccccc2n(C)c1=O ZINC000934645580 618664332 /nfs/dbraw/zinc/66/43/32/618664332.db2.gz UMIYWYUCRNONKQ-UHFFFAOYSA-N 1 1 284.403 3.327 20 30 CGEDMO C=CCCC[N@H+](CC)C[C@@H](O)c1cccc(F)c1 ZINC000934648573 618665079 /nfs/dbraw/zinc/66/50/79/618665079.db2.gz CXFFYUKZDMAKSO-OAHLLOKOSA-N 1 1 251.345 3.147 20 30 CGEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(C)cc2)c1 ZINC000052130855 618694212 /nfs/dbraw/zinc/69/42/12/618694212.db2.gz SSRMHTSBIJLMBN-UHFFFAOYSA-N 1 1 292.382 3.047 20 30 CGEDMO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(C)cc2)c1 ZINC000052130855 618694215 /nfs/dbraw/zinc/69/42/15/618694215.db2.gz SSRMHTSBIJLMBN-UHFFFAOYSA-N 1 1 292.382 3.047 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1cc(Cl)c(OCC)c(OC)c1 ZINC000775183045 619002991 /nfs/dbraw/zinc/00/29/91/619002991.db2.gz GWSLLBCMKFRFSH-LLVKDONJSA-N 1 1 281.783 3.201 20 30 CGEDMO C#C[C@@H](C)N(C)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000775183050 619003987 /nfs/dbraw/zinc/00/39/87/619003987.db2.gz GXZMYOZCAHOTQF-MRXNPFEDSA-N 1 1 272.436 3.098 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)CC(C)(C)CN(C)Cc1ccccc1 ZINC000775183050 619003989 /nfs/dbraw/zinc/00/39/89/619003989.db2.gz GXZMYOZCAHOTQF-MRXNPFEDSA-N 1 1 272.436 3.098 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)CC(C)(C)CN(C)Cc1ccccc1 ZINC000775183050 619003990 /nfs/dbraw/zinc/00/39/90/619003990.db2.gz GXZMYOZCAHOTQF-MRXNPFEDSA-N 1 1 272.436 3.098 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000181049645 619021711 /nfs/dbraw/zinc/02/17/11/619021711.db2.gz GFGJXKLQMJWTQM-UHFFFAOYSA-N 1 1 257.381 3.044 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)C2(C3CCC3)CCC2)C1 ZINC001008090370 619051527 /nfs/dbraw/zinc/05/15/27/619051527.db2.gz UEDVALILOYPMCT-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C#CC[N@H+](CCC(=O)c1ccc(C)cc1)C1CCCC1 ZINC000775613670 619080817 /nfs/dbraw/zinc/08/08/17/619080817.db2.gz SUDXVOVLXZLAKC-UHFFFAOYSA-N 1 1 269.388 3.446 20 30 CGEDMO CN1C[C@@]2(C)C[NH+](CCC3(C#N)CCCCC3)C[C@]2(C)C1 ZINC000931317567 619143505 /nfs/dbraw/zinc/14/35/05/619143505.db2.gz PBSBZWFJZNKJNR-IRXDYDNUSA-N 1 1 289.467 3.124 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2cccc(C3CC3)c2)C1 ZINC001009651052 619183635 /nfs/dbraw/zinc/18/36/35/619183635.db2.gz YIEGQYWGMOSLJE-SFHVURJKSA-N 1 1 298.430 3.334 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CCS[C@@H](C)CC1 ZINC000190694112 619208707 /nfs/dbraw/zinc/20/87/07/619208707.db2.gz NHBRZLIIXSFAIF-AWEZNQCLSA-N 1 1 275.417 3.026 20 30 CGEDMO N#CC1(CCCC[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)CCC1 ZINC000931753557 619248920 /nfs/dbraw/zinc/24/89/20/619248920.db2.gz RLVCNSVFYBHSRI-HOTGVXAUSA-N 1 1 276.424 3.351 20 30 CGEDMO C=CC[N@H+](Cc1ocnc1C)Cc1ccc(OC)cc1 ZINC000893969197 619342152 /nfs/dbraw/zinc/34/21/52/619342152.db2.gz QIWBGWLMMRISRV-UHFFFAOYSA-N 1 1 272.348 3.180 20 30 CGEDMO C=CC[N@@H+](Cc1ocnc1C)Cc1ccc(OC)cc1 ZINC000893969197 619342155 /nfs/dbraw/zinc/34/21/55/619342155.db2.gz QIWBGWLMMRISRV-UHFFFAOYSA-N 1 1 272.348 3.180 20 30 CGEDMO N#CCC[N@@H+](C/C=C/c1cccc(F)c1)CC1CC1 ZINC000894003236 619350172 /nfs/dbraw/zinc/35/01/72/619350172.db2.gz HIPRPBNCJUEAEA-GORDUTHDSA-N 1 1 258.340 3.465 20 30 CGEDMO N#CCC[N@H+](C/C=C/c1cccc(F)c1)CC1CC1 ZINC000894003236 619350174 /nfs/dbraw/zinc/35/01/74/619350174.db2.gz HIPRPBNCJUEAEA-GORDUTHDSA-N 1 1 258.340 3.465 20 30 CGEDMO C(#Cc1ccccc1)C[NH2+]Cc1ccc2c(n1)CCCC2 ZINC000894057993 619361870 /nfs/dbraw/zinc/36/18/70/619361870.db2.gz LUKVDLPQYRWGGZ-UHFFFAOYSA-N 1 1 276.383 3.102 20 30 CGEDMO CCCCCCCCC[N@H+]1CCN(C[C@H](C)O)C[C@@H]1C ZINC000249263796 619384451 /nfs/dbraw/zinc/38/44/51/619384451.db2.gz HRKTWQJASFSJEE-IRXDYDNUSA-N 1 1 284.488 3.124 20 30 CGEDMO CCCCCCCCCN1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000249263796 619384453 /nfs/dbraw/zinc/38/44/53/619384453.db2.gz HRKTWQJASFSJEE-IRXDYDNUSA-N 1 1 284.488 3.124 20 30 CGEDMO CCCCCCCCCN1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000249263796 619384454 /nfs/dbraw/zinc/38/44/54/619384454.db2.gz HRKTWQJASFSJEE-IRXDYDNUSA-N 1 1 284.488 3.124 20 30 CGEDMO C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)C2=CCCC2)CC1 ZINC000997546409 625736059 /nfs/dbraw/zinc/73/60/59/625736059.db2.gz ZBDQJBLEXNYEGB-ZDUSSCGKSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CC[C@@H](C)[N@@H+](C)C[C@@H](O)c1ccccc1Br ZINC000878692376 619444593 /nfs/dbraw/zinc/44/45/93/619444593.db2.gz YHNWVWCGODUMDP-BXUZGUMPSA-N 1 1 298.224 3.379 20 30 CGEDMO N#Cc1ccc(F)c(C[NH2+]Cc2cccc3c2NCCC3)c1 ZINC000894311212 619484591 /nfs/dbraw/zinc/48/45/91/619484591.db2.gz RMAAWWGYJIWBNO-UHFFFAOYSA-N 1 1 295.361 3.345 20 30 CGEDMO C=CC[C@H]([NH2+][C@H](C)c1cc(OC)no1)c1ccncc1 ZINC000925074464 619554433 /nfs/dbraw/zinc/55/44/33/619554433.db2.gz HDLVVHYGDYQICS-YPMHNXCESA-N 1 1 273.336 3.046 20 30 CGEDMO CC[C@@H](CSC)[N@@H+](C)Cc1csc(C#N)c1 ZINC000894496018 619555232 /nfs/dbraw/zinc/55/52/32/619555232.db2.gz NYDWVANABVAEJH-NSHDSACASA-N 1 1 254.424 3.193 20 30 CGEDMO CCC(CC)C[N@@H+](CC)C[C@@H](O)c1ccc(C#N)cc1 ZINC000048970468 619669206 /nfs/dbraw/zinc/66/92/06/619669206.db2.gz UKSYEHUQBUOJRQ-QGZVFWFLSA-N 1 1 274.408 3.350 20 30 CGEDMO C=CC[C@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000894923755 619683984 /nfs/dbraw/zinc/68/39/84/619683984.db2.gz LTQKTSDYUWEPEC-MVCQKVDPSA-N 1 1 284.447 3.389 20 30 CGEDMO COC1CCC(C[N@@H+]2Cc3cccc(C#N)c3C2)CC1 ZINC000895188237 619773531 /nfs/dbraw/zinc/77/35/31/619773531.db2.gz IMNIHQKTHSVCRX-UHFFFAOYSA-N 1 1 270.376 3.079 20 30 CGEDMO COC1CCC(C[N@H+]2Cc3cccc(C#N)c3C2)CC1 ZINC000895188237 619773536 /nfs/dbraw/zinc/77/35/36/619773536.db2.gz IMNIHQKTHSVCRX-UHFFFAOYSA-N 1 1 270.376 3.079 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cnn(C)c2C2CC2)C1 ZINC000895338260 619807939 /nfs/dbraw/zinc/80/79/39/619807939.db2.gz PWNMGYVLJIWXMT-CYBMUJFWSA-N 1 1 259.397 3.086 20 30 CGEDMO CSCc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000895450493 619832002 /nfs/dbraw/zinc/83/20/02/619832002.db2.gz IUWHLROEOIIRKV-OAHLLOKOSA-N 1 1 260.406 3.285 20 30 CGEDMO CSCc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000895450493 619832006 /nfs/dbraw/zinc/83/20/06/619832006.db2.gz IUWHLROEOIIRKV-OAHLLOKOSA-N 1 1 260.406 3.285 20 30 CGEDMO C=CCc1cc(C[N@H+]2CCC[C@H](CF)C2)cc(OC)c1O ZINC000895545092 619846935 /nfs/dbraw/zinc/84/69/35/619846935.db2.gz BEZJBMKTSPGDJL-CYBMUJFWSA-N 1 1 293.382 3.311 20 30 CGEDMO Oc1ccc([C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)cc1 ZINC000895665946 619867985 /nfs/dbraw/zinc/86/79/85/619867985.db2.gz HFGYVEBEJKWDIN-GOSISDBHSA-N 1 1 277.367 3.233 20 30 CGEDMO Cc1cc(F)ncc1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000895668092 619868613 /nfs/dbraw/zinc/86/86/13/619868613.db2.gz XCOHMPGUCLWZFH-UHFFFAOYSA-N 1 1 295.361 3.154 20 30 CGEDMO Cc1cc(F)ncc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000895668092 619868614 /nfs/dbraw/zinc/86/86/14/619868614.db2.gz XCOHMPGUCLWZFH-UHFFFAOYSA-N 1 1 295.361 3.154 20 30 CGEDMO C=CCC1(O)CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000895835072 619894981 /nfs/dbraw/zinc/89/49/81/619894981.db2.gz YAHSQALHZPZSBC-UHFFFAOYSA-N 1 1 299.773 3.088 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H](C)C2CCCC2)CC1 ZINC000985746866 620234922 /nfs/dbraw/zinc/23/49/22/620234922.db2.gz MRADUEFMXYAUSY-HNNXBMFYSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000862445119 620299073 /nfs/dbraw/zinc/29/90/73/620299073.db2.gz MDHAVKCNRNNAAT-NSHDSACASA-N 1 1 296.183 3.433 20 30 CGEDMO CCCCCCCC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000729439027 620389649 /nfs/dbraw/zinc/38/96/49/620389649.db2.gz MCYMSTFTTKUDHP-UHFFFAOYSA-N 1 1 268.445 3.338 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@@H]1C[C@@]1(C)Br ZINC000897624494 620411541 /nfs/dbraw/zinc/41/15/41/620411541.db2.gz MAOZODLAKOJKKR-CMPLNLGQSA-N 1 1 299.237 3.225 20 30 CGEDMO C=C[C@@H](C(=O)N1CCC[N@H+](CC(=C)C)CC1)c1ccccc1 ZINC000989717620 620522294 /nfs/dbraw/zinc/52/22/94/620522294.db2.gz HZHVXHDUKWRNMX-GOSISDBHSA-N 1 1 298.430 3.067 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)C[C@H]2CCCC[C@H]2C)CC1 ZINC000989773152 620524785 /nfs/dbraw/zinc/52/47/85/620524785.db2.gz NATJUISEPKLPLM-IAGOWNOFSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)CC3CCCC3)CCC[C@@H]12 ZINC000989921356 620531384 /nfs/dbraw/zinc/53/13/84/620531384.db2.gz HCAKQUPOHFMDGC-AEFFLSMTSA-N 1 1 290.451 3.256 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)c3cccs3)CCC[C@@H]12 ZINC000989925630 620532776 /nfs/dbraw/zinc/53/27/76/620532776.db2.gz OFQHOPIDXGPTJT-ZBFHGGJFSA-N 1 1 290.432 3.051 20 30 CGEDMO C[C@@H]([NH2+][C@H]1CCCc2cccnc21)c1cc(C#N)ccn1 ZINC000927062393 620569600 /nfs/dbraw/zinc/56/96/00/620569600.db2.gz MFSFTXJCRAQGHH-DOMZBBRYSA-N 1 1 278.359 3.076 20 30 CGEDMO C[C@H](Cc1[nH]cc[nH+]1)OCCCCC1(C#N)CCC1 ZINC000901525569 620914049 /nfs/dbraw/zinc/91/40/49/620914049.db2.gz CAQAAGVDHKXPMJ-CYBMUJFWSA-N 1 1 261.369 3.221 20 30 CGEDMO Cc1ccccc1[C@@H]1CCC[N@@H+]1CCO[C@H](C)C#N ZINC000801912932 621303644 /nfs/dbraw/zinc/30/36/44/621303644.db2.gz JBXWDYHMKFAINI-ZBFHGGJFSA-N 1 1 258.365 3.061 20 30 CGEDMO COc1ccccc1[C@H](C)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902726696 621414874 /nfs/dbraw/zinc/41/48/74/621414874.db2.gz TUZFTDIRLJAZGC-STQMWFEESA-N 1 1 281.359 3.374 20 30 CGEDMO CC[C@H](N[C@H]1CC[N@H+](CC2CC2)C1)c1cccc(C#N)c1 ZINC000902797765 621452503 /nfs/dbraw/zinc/45/25/03/621452503.db2.gz YRCPUUFBMGURBB-ROUUACIJSA-N 1 1 283.419 3.083 20 30 CGEDMO CC[C@H](N[C@H]1CC[N@@H+](CC2CC2)C1)c1cccc(C#N)c1 ZINC000902797765 621452507 /nfs/dbraw/zinc/45/25/07/621452507.db2.gz YRCPUUFBMGURBB-ROUUACIJSA-N 1 1 283.419 3.083 20 30 CGEDMO CC[C@@H](NCC[N@@H+]1CCC[C@H]1C)c1cccc(C#N)c1 ZINC000902825356 621456576 /nfs/dbraw/zinc/45/65/76/621456576.db2.gz LWRWDASRKYCHMA-RHSMWYFYSA-N 1 1 271.408 3.083 20 30 CGEDMO CC[C@@H](NCC[N@H+]1CCC[C@H]1C)c1cccc(C#N)c1 ZINC000902825356 621456578 /nfs/dbraw/zinc/45/65/78/621456578.db2.gz LWRWDASRKYCHMA-RHSMWYFYSA-N 1 1 271.408 3.083 20 30 CGEDMO CC[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1cccc(C#N)c1 ZINC000902882401 621482548 /nfs/dbraw/zinc/48/25/48/621482548.db2.gz UUVSHAMVQVJGAO-HOTGVXAUSA-N 1 1 280.375 3.400 20 30 CGEDMO COc1cccc2c1OCCC[C@H]2[NH2+]CC1(C#N)CCC1 ZINC000903035145 621537462 /nfs/dbraw/zinc/53/74/62/621537462.db2.gz JLQULWHQOSUCJD-CQSZACIVSA-N 1 1 286.375 3.192 20 30 CGEDMO CC[C@@H]([NH2+]Cc1nccc(OC)c1F)c1cccc(C#N)c1 ZINC000903051706 621557599 /nfs/dbraw/zinc/55/75/99/621557599.db2.gz VTESYAWLXHQOAZ-CQSZACIVSA-N 1 1 299.349 3.342 20 30 CGEDMO C[C@@H]([NH2+]CC(C)(C)C#N)c1cc(F)c(F)c(F)c1 ZINC000903100181 621573403 /nfs/dbraw/zinc/57/34/03/621573403.db2.gz JHBKEOLRGWACQU-MRVPVSSYSA-N 1 1 256.271 3.304 20 30 CGEDMO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1cccc(C#N)c1 ZINC000903102732 621575811 /nfs/dbraw/zinc/57/58/11/621575811.db2.gz BLMJOESUEKMPCZ-HMZLUNFSSA-N 1 1 295.430 3.367 20 30 CGEDMO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1cccc(C#N)c1 ZINC000903102732 621575815 /nfs/dbraw/zinc/57/58/15/621575815.db2.gz BLMJOESUEKMPCZ-HMZLUNFSSA-N 1 1 295.430 3.367 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000903108299 621581921 /nfs/dbraw/zinc/58/19/21/621581921.db2.gz RDYAPCZAKDOCCL-LBPRGKRZSA-N 1 1 273.336 3.329 20 30 CGEDMO C[C@@H]1CC[C@@H](CN)[N@@H+](CCCCC2(C#N)CCC2)[C@@H]1C ZINC000903782480 621806971 /nfs/dbraw/zinc/80/69/71/621806971.db2.gz NHTXIGWYXFDMTC-OAGGEKHMSA-N 1 1 277.456 3.298 20 30 CGEDMO C[C@@H]1CC[C@@H](C[NH3+])N(CCCCC2(C#N)CCC2)[C@@H]1C ZINC000903782480 621806975 /nfs/dbraw/zinc/80/69/75/621806975.db2.gz NHTXIGWYXFDMTC-OAGGEKHMSA-N 1 1 277.456 3.298 20 30 CGEDMO Cc1[nH]c(CSc2nc3c(cc2C#N)CCCC3)c(C)[nH+]1 ZINC000904221245 621890086 /nfs/dbraw/zinc/89/00/86/621890086.db2.gz MZXKUXGGLCCZLQ-UHFFFAOYSA-N 1 1 298.415 3.464 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ncccc2SC)no1 ZINC000904691742 621958805 /nfs/dbraw/zinc/95/88/05/621958805.db2.gz HCYQAEXJXGJITC-JTQLQIEISA-N 1 1 290.392 3.210 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(CCC(C)(C)C)no1 ZINC000904712900 621960905 /nfs/dbraw/zinc/96/09/05/621960905.db2.gz NMIPAXNIQWIYKB-LLVKDONJSA-N 1 1 251.374 3.404 20 30 CGEDMO C#C[C@H](CC)[NH2+]Cc1ccc(F)cc1Br ZINC000229897083 623175221 /nfs/dbraw/zinc/17/52/21/623175221.db2.gz UMULTIAYOXGIGE-LLVKDONJSA-N 1 1 270.145 3.090 20 30 CGEDMO N#Cc1cccc(C[NH2+]Cc2c(Cl)n[nH]c2C2CC2)c1 ZINC000921521310 625628690 /nfs/dbraw/zinc/62/86/90/625628690.db2.gz LKECIPHHERBYQL-UHFFFAOYSA-N 1 1 286.766 3.102 20 30 CGEDMO C[C@@H]1C[N@H+](C2CC2)CC1N=Nc1cccc(Cl)c1 ZINC000755871447 625630897 /nfs/dbraw/zinc/63/08/97/625630897.db2.gz GDAKUUWFPJHGQX-SNVBAGLBSA-N 1 1 263.772 3.222 20 30 CGEDMO CC(C)([NH2+]Cc1ccc(OCC#N)cc1)c1nccs1 ZINC000231730788 623340054 /nfs/dbraw/zinc/34/00/54/623340054.db2.gz UKGGTIHKFFIXGN-UHFFFAOYSA-N 1 1 287.388 3.070 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C)[C@H]1C ZINC000992988634 623774864 /nfs/dbraw/zinc/77/48/64/623774864.db2.gz DNTGPXAPIFLXST-NVXWUHKLSA-N 1 1 286.419 3.154 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C2CCCCCC2)[C@@H]1C ZINC000993129217 623858241 /nfs/dbraw/zinc/85/82/41/623858241.db2.gz XEGRVHMXYKWVPJ-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO COc1cccc(O)c1/C=N\C[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000915271152 623936332 /nfs/dbraw/zinc/93/63/32/623936332.db2.gz LURRVXRAFZSKKK-KJLGNSRGSA-N 1 1 290.407 3.083 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cscc2C)[C@H]1C ZINC000993206754 623958559 /nfs/dbraw/zinc/95/85/59/623958559.db2.gz NQWDCAKRCRZKAL-HIFRSBDPSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C2CCC2)[C@H]1C ZINC000993619651 624055387 /nfs/dbraw/zinc/05/53/87/624055387.db2.gz BUXCYLKFMDMAHD-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C2(C)CCCCC2)[C@@H]1C ZINC000993742453 624060807 /nfs/dbraw/zinc/06/08/07/624060807.db2.gz MXNCUQLVMZMPCS-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2Cl)[C@@H]1C ZINC000994275204 624196423 /nfs/dbraw/zinc/19/64/23/624196423.db2.gz HWKSOHHVJWCBDS-WFASDCNBSA-N 1 1 292.810 3.109 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C)cc2C)[C@@H]1C ZINC000994344687 624205356 /nfs/dbraw/zinc/20/53/56/624205356.db2.gz CUTDHWVRIVGHNW-RDJZCZTQSA-N 1 1 286.419 3.072 20 30 CGEDMO C=CC[N@@H+](C[C@H](O)COCc1ccc(Cl)cc1)C(C)C ZINC000917069303 624233192 /nfs/dbraw/zinc/23/31/92/624233192.db2.gz NGXAGWHCRRPWJU-INIZCTEOSA-N 1 1 297.826 3.114 20 30 CGEDMO C=CC[N@H+](CCCOc1ccc(OC)cc1)C(C)C ZINC000917069783 624233799 /nfs/dbraw/zinc/23/37/99/624233799.db2.gz VOAVIGHNKRIURV-UHFFFAOYSA-N 1 1 263.381 3.361 20 30 CGEDMO CC(C)CCC(N)=[NH+]OCc1nc(C(F)(F)F)cs1 ZINC000154279782 624241564 /nfs/dbraw/zinc/24/15/64/624241564.db2.gz SINJYPXPWJBJFG-UHFFFAOYSA-N 1 1 295.330 3.387 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CO[C@H](C)Cc1[nH]cc[nH+]1 ZINC000917396084 624265983 /nfs/dbraw/zinc/26/59/83/624265983.db2.gz WLUIWJUCQXGNFB-CYBMUJFWSA-N 1 1 269.348 3.046 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)[C@H]1C ZINC000994538424 624311048 /nfs/dbraw/zinc/31/10/48/624311048.db2.gz UJDHIMIPDRPRBY-KGLIPLIRSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCC(=O)OCc1ccccc1 ZINC000181427836 624858612 /nfs/dbraw/zinc/85/86/12/624858612.db2.gz KAARQVDLSIOCNO-UHFFFAOYSA-N 1 1 261.365 3.018 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)Cc2ccncc2)cc1 ZINC000183746487 625122866 /nfs/dbraw/zinc/12/28/66/625122866.db2.gz SCYLWPYEWLBYQH-CQSZACIVSA-N 1 1 281.359 3.004 20 30 CGEDMO Cc1cc(C[NH2+]C[C@@H](C)C#N)cc(C)c1OC(F)F ZINC000183840064 625149734 /nfs/dbraw/zinc/14/97/34/625149734.db2.gz OVJACUARPYRPTB-VIFPVBQESA-N 1 1 268.307 3.154 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](N(CC)C(=O)c2ccco2)CC1 ZINC000997909313 625767575 /nfs/dbraw/zinc/76/75/75/625767575.db2.gz OXCYIDQRSFVPNV-HNNXBMFYSA-N 1 1 290.407 3.172 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC23CCC3)CC1 ZINC000998144568 625793059 /nfs/dbraw/zinc/79/30/59/625793059.db2.gz SLVSVQBULIGIPK-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)c2c(C)cc(C)cc2C)CC1 ZINC001001434261 625897531 /nfs/dbraw/zinc/89/75/31/625897531.db2.gz SWSQZIIQWRUSHM-UHFFFAOYSA-N 1 1 298.430 3.160 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCCC2(C)C)CC1 ZINC001001479529 625898156 /nfs/dbraw/zinc/89/81/56/625898156.db2.gz AGCDNVOSCSIOTL-INIZCTEOSA-N 1 1 290.451 3.137 20 30 CGEDMO CCCc1ncc(C[NH2+]Cc2c(C)cc(C#N)cc2C)o1 ZINC000922162243 625977047 /nfs/dbraw/zinc/97/70/47/625977047.db2.gz KMWJHGOUVPMWMQ-UHFFFAOYSA-N 1 1 283.375 3.405 20 30 CGEDMO Cc1cc(C[NH2+]Cc2nc3c(s2)CCC3)ccc1C#N ZINC000922470907 626007056 /nfs/dbraw/zinc/00/70/56/626007056.db2.gz BWKDXTSNYRSZHJ-UHFFFAOYSA-N 1 1 283.400 3.102 20 30 CGEDMO Cc1nc([C@@H]2CCCC[N@@H+]2CC2CCC(C#N)CC2)no1 ZINC000929306902 626016853 /nfs/dbraw/zinc/01/68/53/626016853.db2.gz HEGOHDCYGAANKS-NRXISQOPSA-N 1 1 288.395 3.235 20 30 CGEDMO Cc1nc([C@@H]2CCCC[N@H+]2CC2CCC(C#N)CC2)no1 ZINC000929306902 626016855 /nfs/dbraw/zinc/01/68/55/626016855.db2.gz HEGOHDCYGAANKS-NRXISQOPSA-N 1 1 288.395 3.235 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2(C)CC2)CC1 ZINC001004444396 626057771 /nfs/dbraw/zinc/05/77/71/626057771.db2.gz XBXADQQUYRRYSS-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO N#Cc1cc(C[NH2+][C@H]2CCCc3cccnc32)cs1 ZINC000922885932 626065084 /nfs/dbraw/zinc/06/50/84/626065084.db2.gz AHZHTRXURJJMBN-AWEZNQCLSA-N 1 1 269.373 3.182 20 30 CGEDMO C#CC[N@@H+](CCc1ccccn1)[C@H]1CCc2ccccc21 ZINC000103467255 626354644 /nfs/dbraw/zinc/35/46/44/626354644.db2.gz ZWGVBZIKYJRWGW-IBGZPJMESA-N 1 1 276.383 3.247 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2CCCCC2N=NCC(F)F)C1 ZINC000751529774 626394611 /nfs/dbraw/zinc/39/46/11/626394611.db2.gz VQXBVEJPBLCDSK-MBNYWOFBSA-N 1 1 287.398 3.118 20 30 CGEDMO C[C@H]1C[N@@H+](C)CC1N=Nc1ccccc1C(F)(F)F ZINC000752158482 626420486 /nfs/dbraw/zinc/42/04/86/626420486.db2.gz ZFMMRVHCCPNPPD-VIFPVBQESA-N 1 1 271.286 3.055 20 30 CGEDMO C[C@H]1C[N@@H+](C)CC1N=Nc1cccc2ccccc21 ZINC000752164963 626420769 /nfs/dbraw/zinc/42/07/69/626420769.db2.gz NPGXQNGGDCXGNO-LBPRGKRZSA-N 1 1 253.349 3.189 20 30 CGEDMO COc1cccc(N[NH+]=Cc2c(C)cc(N)cc2C)c1 ZINC000752720773 626436039 /nfs/dbraw/zinc/43/60/39/626436039.db2.gz OKOQJVSODAWZBN-UHFFFAOYSA-N 1 1 269.348 3.340 20 30 CGEDMO CC(CC1CCCC1)=[NH+]n1cc(Br)cn1 ZINC000752746317 626437153 /nfs/dbraw/zinc/43/71/53/626437153.db2.gz IHNMTBLBLRRFGR-UHFFFAOYSA-N 1 1 270.174 3.450 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)Cc1cc(-n2ccnc2)cs1 ZINC000753539641 626454599 /nfs/dbraw/zinc/45/45/99/626454599.db2.gz RUSZIVALYCLVGY-UHFFFAOYSA-N 1 1 288.420 3.305 20 30 CGEDMO CC(C)[N@@H+]1CC(N=Nc2cc(F)cc(F)c2)[C@H](C)C1 ZINC000754262169 626565348 /nfs/dbraw/zinc/56/53/48/626565348.db2.gz ZINFTJLIWHHQKB-SNVBAGLBSA-N 1 1 267.323 3.093 20 30 CGEDMO COc1cc(C[N@H+](C)C[C@H](C)C#N)c(O)c(C(C)(C)C)c1 ZINC000754723389 626584515 /nfs/dbraw/zinc/58/45/15/626584515.db2.gz RGZYHWCBYNKHKI-GFCCVEGCSA-N 1 1 290.407 3.290 20 30 CGEDMO COc1cc(C[N@@H+](C)C[C@H](C)C#N)c(O)c(C(C)(C)C)c1 ZINC000754723389 626584517 /nfs/dbraw/zinc/58/45/17/626584517.db2.gz RGZYHWCBYNKHKI-GFCCVEGCSA-N 1 1 290.407 3.290 20 30 CGEDMO C[N@@H+](C1CCCC1)C(C)(C)C(=O)OCCC(C)(C)C#N ZINC000754868456 626591411 /nfs/dbraw/zinc/59/14/11/626591411.db2.gz JLQMVCIKVVGLOB-UHFFFAOYSA-N 1 1 280.412 3.122 20 30 CGEDMO CCCCCCCCNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000754865808 626591507 /nfs/dbraw/zinc/59/15/07/626591507.db2.gz NRDNNVWGFQIXLS-OAHLLOKOSA-N 1 1 295.471 3.130 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H](c1ccccc1)C(C)C ZINC000756542328 626713731 /nfs/dbraw/zinc/71/37/31/626713731.db2.gz LFLQPDDNGVXTLN-MSOLQXFVSA-N 1 1 299.414 3.067 20 30 CGEDMO COc1ccc(O)c(/C=N/[C@@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000756841461 626736575 /nfs/dbraw/zinc/73/65/75/626736575.db2.gz VCFVNNORHHQLLT-OXNWSPOFSA-N 1 1 296.370 3.006 20 30 CGEDMO C#CC[N@@H+](Cc1nc(-c2ccccc2C)no1)C1CCCC1 ZINC000756910956 626740787 /nfs/dbraw/zinc/74/07/87/626740787.db2.gz NZXBOLGDLCQEPI-UHFFFAOYSA-N 1 1 295.386 3.423 20 30 CGEDMO C#CC[N@H+](Cc1nc(-c2ccccc2C)no1)C1CCCC1 ZINC000756910956 626740791 /nfs/dbraw/zinc/74/07/91/626740791.db2.gz NZXBOLGDLCQEPI-UHFFFAOYSA-N 1 1 295.386 3.423 20 30 CGEDMO Cc1ccc(N=NC2C[C@H](C)[N@H+](Cc3ccccc3)C2)nc1 ZINC000757574737 626789724 /nfs/dbraw/zinc/78/97/24/626789724.db2.gz LLVAOBDBTNKXEA-HNNXBMFYSA-N 1 1 294.402 3.452 20 30 CGEDMO C[C@H]1CC(=NNC2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000757574880 626789737 /nfs/dbraw/zinc/78/97/37/626789737.db2.gz MUQGLYGXOONFGW-AWEZNQCLSA-N 1 1 271.408 3.169 20 30 CGEDMO C[C@H]1CC(=NNC2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000757574880 626789738 /nfs/dbraw/zinc/78/97/38/626789738.db2.gz MUQGLYGXOONFGW-AWEZNQCLSA-N 1 1 271.408 3.169 20 30 CGEDMO C[N@H+]1CCCC(N=Nc2cccc(Cl)c2)CC1 ZINC000758091015 626826237 /nfs/dbraw/zinc/82/62/37/626826237.db2.gz BANOMWHXLFHWTK-UHFFFAOYSA-N 1 1 251.761 3.224 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@@H+]([C@H]2CCCCC2=NNC2CC2)C1 ZINC000758134417 626830027 /nfs/dbraw/zinc/83/00/27/626830027.db2.gz YYYOZEQWKGHCRJ-ZENOOKHLSA-N 1 1 263.429 3.015 20 30 CGEDMO COC(C)(C)C[N@@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000758816255 626861293 /nfs/dbraw/zinc/86/12/93/626861293.db2.gz WGAFKWXCFNXHIQ-UHFFFAOYSA-N 1 1 296.798 3.099 20 30 CGEDMO C=CC[N@H+](Cc1ccc(C(=O)OC)cc1F)C(C)C ZINC000759129081 626875377 /nfs/dbraw/zinc/87/53/77/626875377.db2.gz LGCGUVFNXYDONM-UHFFFAOYSA-N 1 1 265.328 3.009 20 30 CGEDMO C#CCCCC(=O)OC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000759548988 626905260 /nfs/dbraw/zinc/90/52/60/626905260.db2.gz INVWZTJNLBHBOH-LJQANCHMSA-N 1 1 299.414 3.388 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000760844177 626995974 /nfs/dbraw/zinc/99/59/74/626995974.db2.gz JZJYUBBXYLCMJP-QGZVFWFLSA-N 1 1 289.419 3.464 20 30 CGEDMO C#CCOCC[N@H+](C)[C@H](C)c1ccccc1Br ZINC000761109202 627016935 /nfs/dbraw/zinc/01/69/35/627016935.db2.gz OLHBZNXZRIFNLW-GFCCVEGCSA-N 1 1 296.208 3.092 20 30 CGEDMO C#CCOCC[N@@H+](C)[C@H](C)c1ccccc1Br ZINC000761109202 627016932 /nfs/dbraw/zinc/01/69/32/627016932.db2.gz OLHBZNXZRIFNLW-GFCCVEGCSA-N 1 1 296.208 3.092 20 30 CGEDMO C[C@H]1C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)Cc2ccccc21 ZINC000763475335 627159995 /nfs/dbraw/zinc/15/99/95/627159995.db2.gz HFIMZYXLGJDNEN-IFXJQAMLSA-N 1 1 292.382 3.211 20 30 CGEDMO C#CC[N@H+](C[C@H](O)c1ccc(Cl)cc1Cl)C1CC1 ZINC000763960666 627187572 /nfs/dbraw/zinc/18/75/72/627187572.db2.gz SLBKWIBTBPUSKP-AWEZNQCLSA-N 1 1 284.186 3.124 20 30 CGEDMO C#CC[N@@H+](Cc1cccc(-c2ccccn2)c1)C1CC1 ZINC000764680743 627218044 /nfs/dbraw/zinc/21/80/44/627218044.db2.gz ABFDXVTVQMCPPD-UHFFFAOYSA-N 1 1 262.356 3.346 20 30 CGEDMO C#CCOc1ccc([C@@H](C)[NH2+]Cc2cc(CC)no2)cc1 ZINC000766137464 627298676 /nfs/dbraw/zinc/29/86/76/627298676.db2.gz YSSRGDOBECIBDX-CYBMUJFWSA-N 1 1 284.359 3.100 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(C)cc(C(C)(C)C)c1O ZINC000766666308 627350955 /nfs/dbraw/zinc/35/09/55/627350955.db2.gz QFVOERSTBPUBEA-CYBMUJFWSA-N 1 1 259.393 3.452 20 30 CGEDMO C#CCCC[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000766894289 627367870 /nfs/dbraw/zinc/36/78/70/627367870.db2.gz DBWCYXUUQJLBNN-UHFFFAOYSA-N 1 1 299.393 3.494 20 30 CGEDMO C#CCCC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000766902656 627369003 /nfs/dbraw/zinc/36/90/03/627369003.db2.gz MMYCGFAXIXUWKL-HXUWFJFHSA-N 1 1 296.458 3.388 20 30 CGEDMO C#CCCC[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000766902656 627369007 /nfs/dbraw/zinc/36/90/07/627369007.db2.gz MMYCGFAXIXUWKL-HXUWFJFHSA-N 1 1 296.458 3.388 20 30 CGEDMO C#CCCC[N@H+]1CCc2cccc(Br)c2C1 ZINC000766905987 627369479 /nfs/dbraw/zinc/36/94/79/627369479.db2.gz LGGGJQOTPQNQNT-UHFFFAOYSA-N 1 1 278.193 3.221 20 30 CGEDMO C[C@@H]1CCC[N@H+]1CCNc1nc(C(C)(C)C)ccc1C#N ZINC000767194680 627389148 /nfs/dbraw/zinc/38/91/48/627389148.db2.gz DDJVPOZAMLOMHN-CYBMUJFWSA-N 1 1 286.423 3.147 20 30 CGEDMO C[C@H]1CC(=NOCC(F)F)C[N@H+](Cc2ccccc2)C1 ZINC000767394001 627405053 /nfs/dbraw/zinc/40/50/53/627405053.db2.gz MVEHLNACKBYHQT-LBPRGKRZSA-N 1 1 282.334 3.166 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000768143786 627462965 /nfs/dbraw/zinc/46/29/65/627462965.db2.gz OCASWJUSRKSDLV-OAHLLOKOSA-N 1 1 257.377 3.463 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OCC)c(OC)c1)C(C)C ZINC000768550288 627486034 /nfs/dbraw/zinc/48/60/34/627486034.db2.gz JQBMKGWBVFHBKM-UHFFFAOYSA-N 1 1 263.381 3.490 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C)no2)cc1 ZINC000768879797 627505667 /nfs/dbraw/zinc/50/56/67/627505667.db2.gz XYUCZOCCJPERIX-QGZVFWFLSA-N 1 1 296.370 3.332 20 30 CGEDMO C#CC[N@H+](CC)Cc1c(OC)ccc2ccccc21 ZINC000769104445 627522333 /nfs/dbraw/zinc/52/23/33/627522333.db2.gz HHRRUIIFOHDFHU-UHFFFAOYSA-N 1 1 253.345 3.304 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccc(N2CCCCC2)cc1 ZINC000769108033 627523521 /nfs/dbraw/zinc/52/35/21/627523521.db2.gz XEOPBGWBDVTTOY-UHFFFAOYSA-N 1 1 256.393 3.132 20 30 CGEDMO C#CC[N@H+](Cc1cccc(OC)c1O)C1CCCCC1 ZINC000769146293 627525779 /nfs/dbraw/zinc/52/57/79/627525779.db2.gz RYIKQQWNHLWJDE-UHFFFAOYSA-N 1 1 273.376 3.169 20 30 CGEDMO C#CC[N@H+](Cc1cnn(CCC)c1)C1CCCCC1 ZINC000769145240 627526330 /nfs/dbraw/zinc/52/63/30/627526330.db2.gz FQJCCIDTWKZCOX-UHFFFAOYSA-N 1 1 259.397 3.061 20 30 CGEDMO C#CCOc1ccccc1C[N@H+](C)C(C1CC1)C1CC1 ZINC000769192200 627530628 /nfs/dbraw/zinc/53/06/28/627530628.db2.gz IIAMNTCGIKLEGD-UHFFFAOYSA-N 1 1 269.388 3.319 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000769329616 627542370 /nfs/dbraw/zinc/54/23/70/627542370.db2.gz MFMDVOAIXSESOQ-MRXNPFEDSA-N 1 1 255.361 3.073 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OCC)c(OC)c1)C1CCCC1 ZINC000769529094 627563149 /nfs/dbraw/zinc/56/31/49/627563149.db2.gz DQPNHGYNTXKVLH-UHFFFAOYSA-N 1 1 287.403 3.472 20 30 CGEDMO CCc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000769871430 627585533 /nfs/dbraw/zinc/58/55/33/627585533.db2.gz GQDMWXVZLZPMKG-SNVBAGLBSA-N 1 1 287.338 3.407 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)CCC(=O)Nc1cccc2ccccc21 ZINC000769977532 627594456 /nfs/dbraw/zinc/59/44/56/627594456.db2.gz IUQMTIXQPNAXIW-CQSZACIVSA-N 1 1 280.371 3.122 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CC[C@@H](CC)C2)cc1 ZINC000770305742 627612663 /nfs/dbraw/zinc/61/26/63/627612663.db2.gz SINAGVBHHIGVAE-OAHLLOKOSA-N 1 1 257.377 3.321 20 30 CGEDMO C=CC[N@H+](Cn1ccc(-c2ccc(C#N)cc2)n1)C1CC1 ZINC000771641123 627724611 /nfs/dbraw/zinc/72/46/11/627724611.db2.gz LJWZMHYDWPHRND-UHFFFAOYSA-N 1 1 278.359 3.030 20 30 CGEDMO C=CC[N@@H+](Cn1ccc(-c2ccc(C#N)cc2)n1)C1CC1 ZINC000771641123 627724614 /nfs/dbraw/zinc/72/46/14/627724614.db2.gz LJWZMHYDWPHRND-UHFFFAOYSA-N 1 1 278.359 3.030 20 30 CGEDMO C#CC[N@H+](Cc1ccoc1)[C@@H]1CCc2ccccc21 ZINC000772600742 627805577 /nfs/dbraw/zinc/80/55/77/627805577.db2.gz YFGVFRNOYCNJSZ-QGZVFWFLSA-N 1 1 251.329 3.402 20 30 CGEDMO C#CC[N@@H+](Cc1ccoc1)[C@@H]1CCc2ccccc21 ZINC000772600742 627805580 /nfs/dbraw/zinc/80/55/80/627805580.db2.gz YFGVFRNOYCNJSZ-QGZVFWFLSA-N 1 1 251.329 3.402 20 30 CGEDMO C=C(Cl)C[NH2+][C@H](C)c1ccc(F)cc1N(C)C ZINC000773002899 627840207 /nfs/dbraw/zinc/84/02/07/627840207.db2.gz AIGKSVSWCALQNU-SNVBAGLBSA-N 1 1 256.752 3.295 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000773003478 627840305 /nfs/dbraw/zinc/84/03/05/627840305.db2.gz DPVPGLFWSFHZNH-JTQLQIEISA-N 1 1 297.189 3.324 20 30 CGEDMO C=CCCCCC[N@@H+](C)Cn1c2cc(F)ccc2oc1=O ZINC000773301009 627872372 /nfs/dbraw/zinc/87/23/72/627872372.db2.gz GIPPDTNODGEOAE-UHFFFAOYSA-N 1 1 292.354 3.369 20 30 CGEDMO C=CCCCCC[N@H+](C)Cn1c2cc(F)ccc2oc1=O ZINC000773301009 627872376 /nfs/dbraw/zinc/87/23/76/627872376.db2.gz GIPPDTNODGEOAE-UHFFFAOYSA-N 1 1 292.354 3.369 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774250104 627968855 /nfs/dbraw/zinc/96/88/55/627968855.db2.gz CSYXPLAEYDOGRF-CYBMUJFWSA-N 1 1 266.728 3.314 20 30 CGEDMO N#Cc1ccc(F)c(C[NH2+][C@H]2CCCc3occc32)c1 ZINC000774253317 627969052 /nfs/dbraw/zinc/96/90/52/627969052.db2.gz OPGFNKIZZMSUSW-HNNXBMFYSA-N 1 1 270.307 3.458 20 30 CGEDMO C#CC[N@H+](Cc1cccc(C#N)c1F)C1CCCC1 ZINC000774660674 628012848 /nfs/dbraw/zinc/01/28/48/628012848.db2.gz YHYUSUWQWJFHJC-UHFFFAOYSA-N 1 1 256.324 3.075 20 30 CGEDMO CCCCCCC[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774949934 628050744 /nfs/dbraw/zinc/05/07/44/628050744.db2.gz AQYCWJYQEUIBRR-UHFFFAOYSA-N 1 1 296.367 3.369 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000775179716 628069397 /nfs/dbraw/zinc/06/93/97/628069397.db2.gz PDCASPWPEWINHK-CYBMUJFWSA-N 1 1 293.370 3.287 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000775183248 628069936 /nfs/dbraw/zinc/06/99/36/628069936.db2.gz KXCCKASVEYYHKS-ZDUSSCGKSA-N 1 1 273.376 3.095 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000775179646 628069947 /nfs/dbraw/zinc/06/99/47/628069947.db2.gz OKEZEJGMJFVDIU-ZDUSSCGKSA-N 1 1 287.794 3.038 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000775179646 628069949 /nfs/dbraw/zinc/06/99/49/628069949.db2.gz OKEZEJGMJFVDIU-ZDUSSCGKSA-N 1 1 287.794 3.038 20 30 CGEDMO C#C[C@H]([NH2+]Cc1ccc(-c2ccccc2F)o1)[C@@H]1CCCO1 ZINC000775342422 628084749 /nfs/dbraw/zinc/08/47/49/628084749.db2.gz QZMLGQGYFNKCAC-WMZOPIPTSA-N 1 1 299.345 3.356 20 30 CGEDMO C[C@@H]1CCC[N@@H+]1CCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000775396059 628090055 /nfs/dbraw/zinc/09/00/55/628090055.db2.gz WYOBDWVKNJXVPX-KDOFPFPSSA-N 1 1 283.419 3.010 20 30 CGEDMO C[C@@H]1CCC[N@H+]1CCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000775396059 628090058 /nfs/dbraw/zinc/09/00/58/628090058.db2.gz WYOBDWVKNJXVPX-KDOFPFPSSA-N 1 1 283.419 3.010 20 30 CGEDMO C#CC[C@@H](NCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC000775403774 628091524 /nfs/dbraw/zinc/09/15/24/628091524.db2.gz IWVNKPUSDQLTFE-GOSISDBHSA-N 1 1 270.420 3.073 20 30 CGEDMO C=C[C@H](CC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C)c1ccccc1 ZINC000874834868 634628769 /nfs/dbraw/zinc/62/87/69/634628769.db2.gz VAJPTKYTUVBNNK-KBAYOESNSA-N 1 1 298.430 3.041 20 30 CGEDMO CCCCCCCCC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000874847393 634631087 /nfs/dbraw/zinc/63/10/87/634631087.db2.gz NVPHCKKUDRHAMA-JKSUJKDBSA-N 1 1 280.456 3.432 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)CC1(C#N)CC1 ZINC000775942219 628152157 /nfs/dbraw/zinc/15/21/57/628152157.db2.gz RKJOHVBNEDUVTN-UHFFFAOYSA-N 1 1 271.408 3.267 20 30 CGEDMO C[C@H]([NH2+]Cc1cccc(F)n1)c1ccc(C#N)c(F)c1 ZINC000776745377 628229416 /nfs/dbraw/zinc/22/94/16/628229416.db2.gz DXZJLDQHRXVMDB-JTQLQIEISA-N 1 1 273.286 3.082 20 30 CGEDMO Cc1cc2ccccc2nc1N=NC1CC[N@@H+](C)[C@H](C)C1 ZINC000776786236 628232406 /nfs/dbraw/zinc/23/24/06/628232406.db2.gz SNZIIWNLWUOHQJ-CYBMUJFWSA-N 1 1 282.391 3.425 20 30 CGEDMO C[C@H]1CC[N@@H+](CCCOc2ccc(C#N)cc2)C[C@@H]1F ZINC000778232228 628336328 /nfs/dbraw/zinc/33/63/28/628336328.db2.gz FHYRJGIDSUGOGC-BBRMVZONSA-N 1 1 276.355 3.007 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C[C@@H]1F ZINC000779150083 628391154 /nfs/dbraw/zinc/39/11/54/628391154.db2.gz PJYLIZOQZQIBMK-YOEHRIQHSA-N 1 1 289.398 3.216 20 30 CGEDMO CC[C@H](C)Oc1cc(C=NNc2cc[nH+]cc2)ccc1OC ZINC000779807268 628433053 /nfs/dbraw/zinc/43/30/53/628433053.db2.gz QLXKORSNCLOAQA-ZDUSSCGKSA-N 1 1 299.374 3.135 20 30 CGEDMO Cc1cccc2c1[C@H](C)CC2=NNc1cc[nH+]cc1 ZINC000779810459 628433894 /nfs/dbraw/zinc/43/38/94/628433894.db2.gz BQYIYUBXFTZBJK-GFCCVEGCSA-N 1 1 251.333 3.135 20 30 CGEDMO Fc1ccc2[nH]c3c(c2c1)C(=NNc1cc[nH+]cc1)CCC3 ZINC000779812806 628434647 /nfs/dbraw/zinc/43/46/47/628434647.db2.gz YHXGPUHEQVYTGQ-UHFFFAOYSA-N 1 1 294.333 3.276 20 30 CGEDMO C#CCCCCCC(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000780662380 628508116 /nfs/dbraw/zinc/50/81/16/628508116.db2.gz ZYJANZOTHKSVCV-KRWDZBQOSA-N 1 1 292.467 3.054 20 30 CGEDMO CC(=NNc1cc[nH+]cc1)c1cc(Br)cs1 ZINC000782267688 628631813 /nfs/dbraw/zinc/63/18/13/628631813.db2.gz HPUVRVQNWPEWCO-UHFFFAOYSA-N 1 1 296.193 3.164 20 30 CGEDMO Cc1cc(CO[NH+]=C(N)CCc2ccccc2)ccc1C#N ZINC000783030413 628673579 /nfs/dbraw/zinc/67/35/79/628673579.db2.gz RWKXXJHLKZLVNU-UHFFFAOYSA-N 1 1 293.370 3.498 20 30 CGEDMO CC1(C)Cc2occc2[C@H]([NH2+]Cc2ccc(C#N)cn2)C1 ZINC000783301031 628701401 /nfs/dbraw/zinc/70/14/01/628701401.db2.gz SHODACWSJTUVSM-OAHLLOKOSA-N 1 1 281.359 3.350 20 30 CGEDMO C[C@@H]1CC(N=Nc2ccc(C#N)c(Cl)c2)C[N@H+]1C1CC1 ZINC000783878244 628754457 /nfs/dbraw/zinc/75/44/57/628754457.db2.gz SPUZFIDZPQJCFS-SNVBAGLBSA-N 1 1 288.782 3.236 20 30 CGEDMO C#CCCC[N@@H+]1C[C@@H](C)C[C@H]1c1cccc(OC)c1 ZINC000784354686 628808406 /nfs/dbraw/zinc/80/84/06/628808406.db2.gz TVQQJSJWHXYNHT-YOEHRIQHSA-N 1 1 257.377 3.492 20 30 CGEDMO CCCCCCCC[N@H+]1CCOC[C@H]1[C@@H]1CCCC1=O ZINC000784356519 628808815 /nfs/dbraw/zinc/80/88/15/628808815.db2.gz PXKDPSACGBZERE-HOTGVXAUSA-N 1 1 281.440 3.417 20 30 CGEDMO C=C[C@@](C)(CC)COC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000786530768 628946818 /nfs/dbraw/zinc/94/68/18/628946818.db2.gz SFLDRGUVHFZFJF-ZFWWWQNUSA-N 1 1 253.386 3.006 20 30 CGEDMO C=C[C@@](C)(CC)COC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000786530768 628946821 /nfs/dbraw/zinc/94/68/21/628946821.db2.gz SFLDRGUVHFZFJF-ZFWWWQNUSA-N 1 1 253.386 3.006 20 30 CGEDMO C#CC[N@@H+](Cc1cccc(Cl)c1OCC)C1CC1 ZINC000787275713 629006557 /nfs/dbraw/zinc/00/65/57/629006557.db2.gz RAYBZNKKOHHUOX-UHFFFAOYSA-N 1 1 263.768 3.336 20 30 CGEDMO C#CC[N@H+](Cc1cccc(Cl)c1OCC)C1CC1 ZINC000787275713 629006558 /nfs/dbraw/zinc/00/65/58/629006558.db2.gz RAYBZNKKOHHUOX-UHFFFAOYSA-N 1 1 263.768 3.336 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000805839670 629013959 /nfs/dbraw/zinc/01/39/59/629013959.db2.gz RUCKMNHLXPRSJW-DGCLKSJQSA-N 1 1 264.394 3.060 20 30 CGEDMO C#CC(C)(C)[N@H+](C)CCOc1ccc(SC)cc1 ZINC000787997031 629038540 /nfs/dbraw/zinc/03/85/40/629038540.db2.gz GKYBMVKKBXOXAY-UHFFFAOYSA-N 1 1 263.406 3.131 20 30 CGEDMO C#CCCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788778474 629081340 /nfs/dbraw/zinc/08/13/40/629081340.db2.gz RSBMRGANSMAUHD-SNVBAGLBSA-N 1 1 271.282 3.475 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)C[C@@H]2CCCC[C@@H]2C)n1 ZINC000789761803 629166208 /nfs/dbraw/zinc/16/62/08/629166208.db2.gz JABMHFSVXPKDSV-HOTGVXAUSA-N 1 1 273.424 3.165 20 30 CGEDMO CCN(C)c1ccc(C=[NH+]Nc2ccc(F)cc2)cn1 ZINC000790141296 629186275 /nfs/dbraw/zinc/18/62/75/629186275.db2.gz CSADJABZZPKFAQ-UHFFFAOYSA-N 1 1 272.327 3.123 20 30 CGEDMO CC(C)CN(CCC#N)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000791127390 629256776 /nfs/dbraw/zinc/25/67/76/629256776.db2.gz DBKGHZVZHTYWHE-UHFFFAOYSA-N 1 1 293.455 3.039 20 30 CGEDMO Cc1c(F)nccc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000862220510 629325556 /nfs/dbraw/zinc/32/55/56/629325556.db2.gz LYVXUWJVQHLLPI-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO Cc1c(F)nccc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000862220510 629325561 /nfs/dbraw/zinc/32/55/61/629325561.db2.gz LYVXUWJVQHLLPI-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO CCCCCCCCC[N@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC000792288591 629354268 /nfs/dbraw/zinc/35/42/68/629354268.db2.gz ZDADUAULAFBUEK-HNNXBMFYSA-N 1 1 289.485 3.246 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(OC)c(COCC)c2)C1 ZINC000862442764 629374967 /nfs/dbraw/zinc/37/49/67/629374967.db2.gz HKQPSWIYXQAVEA-OAHLLOKOSA-N 1 1 287.403 3.077 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2nc3ccc(OC)cc3s2)C1 ZINC000862445355 629379874 /nfs/dbraw/zinc/37/98/74/629379874.db2.gz RHGDULURPIQDML-LBPRGKRZSA-N 1 1 286.400 3.150 20 30 CGEDMO CCOCCC[N@H+]1CCC(=NOC[C@H](C)CC)[C@H](C)C1 ZINC000793163993 629420309 /nfs/dbraw/zinc/42/03/09/629420309.db2.gz OXYLKMFDYFIBAL-HUUCEWRRSA-N 1 1 284.444 3.174 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[NH+]1[C@@H](C)C[C@@H]1C ZINC000793219837 629430299 /nfs/dbraw/zinc/43/02/99/629430299.db2.gz GULIDUZSOHBBIL-RYUDHWBXSA-N 1 1 263.768 3.335 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]Cc1cccnc1F ZINC000793284045 629438902 /nfs/dbraw/zinc/43/89/02/629438902.db2.gz FGKWRFUQMUULGD-UHFFFAOYSA-N 1 1 272.323 3.075 20 30 CGEDMO Cc1cc([C@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)n(C)n1 ZINC000793547540 629482063 /nfs/dbraw/zinc/48/20/63/629482063.db2.gz JFGHZIBLKLQRMS-HOCLYGCPSA-N 1 1 282.391 3.424 20 30 CGEDMO C=CC[N@H+](CN1C[C@@H](c2ccccc2)OC1=O)C(C)C ZINC000863257100 629515068 /nfs/dbraw/zinc/51/50/68/629515068.db2.gz MAGOZZJRUKALBG-HNNXBMFYSA-N 1 1 274.364 3.034 20 30 CGEDMO C=CC[N@@H+](CN1C[C@@H](c2ccccc2)OC1=O)C(C)C ZINC000863257100 629515073 /nfs/dbraw/zinc/51/50/73/629515073.db2.gz MAGOZZJRUKALBG-HNNXBMFYSA-N 1 1 274.364 3.034 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)CN1C(=O)CC12CCC2 ZINC000794651986 629564118 /nfs/dbraw/zinc/56/41/18/629564118.db2.gz YYDFAFZCBLOYPH-UHFFFAOYSA-N 1 1 284.403 3.177 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)CN1C(=O)CC12CCC2 ZINC000794651986 629564120 /nfs/dbraw/zinc/56/41/20/629564120.db2.gz YYDFAFZCBLOYPH-UHFFFAOYSA-N 1 1 284.403 3.177 20 30 CGEDMO C=CCCCCC[C@H](C)N[C@@H]1CC[NH2+]C12CCC2 ZINC000863543091 629601671 /nfs/dbraw/zinc/60/16/71/629601671.db2.gz VOVORZYPMASCPQ-LSDHHAIUSA-N 1 1 250.430 3.386 20 30 CGEDMO C[C@H]1CC(N=Nc2cccc(F)n2)C[N@H+]1Cc1ccccc1 ZINC000795008528 629621145 /nfs/dbraw/zinc/62/11/45/629621145.db2.gz KEAQKTTZJWZCIA-ZDUSSCGKSA-N 1 1 298.365 3.283 20 30 CGEDMO C[N@H+]1CCN(Cc2ccc(C3(C#N)CC3)cc2)CCC1(C)C ZINC000864050840 629745495 /nfs/dbraw/zinc/74/54/95/629745495.db2.gz SEIDINBMRZAOSK-UHFFFAOYSA-N 1 1 297.446 3.158 20 30 CGEDMO CN1CC[N@H+](Cc2ccc(C3(C#N)CC3)cc2)CCC1(C)C ZINC000864050840 629745503 /nfs/dbraw/zinc/74/55/03/629745503.db2.gz SEIDINBMRZAOSK-UHFFFAOYSA-N 1 1 297.446 3.158 20 30 CGEDMO CN1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CCC1(C)C ZINC000864050840 629745510 /nfs/dbraw/zinc/74/55/10/629745510.db2.gz SEIDINBMRZAOSK-UHFFFAOYSA-N 1 1 297.446 3.158 20 30 CGEDMO C=C(C)C[N@@H+](CCc1cccs1)Cc1ccc(CO)o1 ZINC000796382550 629773716 /nfs/dbraw/zinc/77/37/16/629773716.db2.gz BRXZOCOKDAEATF-UHFFFAOYSA-N 1 1 291.416 3.454 20 30 CGEDMO C#CC[N@H+](CCC(=O)Nc1ccccc1)Cc1ccccc1 ZINC000796631657 629807668 /nfs/dbraw/zinc/80/76/68/629807668.db2.gz GETHZARCLPOSLJ-UHFFFAOYSA-N 1 1 292.382 3.151 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CCCN(C)C(=O)OC(C)(C)C ZINC000797990362 630012206 /nfs/dbraw/zinc/01/22/06/630012206.db2.gz WMOJPACNCSZGCD-AWEZNQCLSA-N 1 1 282.428 3.284 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799190566 630155436 /nfs/dbraw/zinc/15/54/36/630155436.db2.gz RIIBHTWDTFFZEH-CQSZACIVSA-N 1 1 281.334 3.082 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799190566 630155441 /nfs/dbraw/zinc/15/54/41/630155441.db2.gz RIIBHTWDTFFZEH-CQSZACIVSA-N 1 1 281.334 3.082 20 30 CGEDMO CCCCCCCCC[N@H+]1CCOC[C@@]12CCOC2 ZINC000799348023 630173118 /nfs/dbraw/zinc/17/31/18/630173118.db2.gz WCVMUCRCIIPFPR-INIZCTEOSA-N 1 1 269.429 3.228 20 30 CGEDMO O=C1C=C([NH2+]Nc2cccc3c2CCCC3)[C@@H]2CCCCN12 ZINC000799477499 630186679 /nfs/dbraw/zinc/18/66/79/630186679.db2.gz BOOBMHDNGXPKAT-KRWDZBQOSA-N 1 1 297.402 3.118 20 30 CGEDMO C=C[C@H](Nc1ccc([NH+]2CCC(C)CC2)cc1)C(=O)OC ZINC000799975109 630249015 /nfs/dbraw/zinc/24/90/15/630249015.db2.gz GOSOHBAIKOJEJJ-INIZCTEOSA-N 1 1 288.391 3.062 20 30 CGEDMO COc1ccc2cc(C[N@@H+](C)CCO[C@@H](C)C#N)ccc2c1 ZINC000801912070 630364397 /nfs/dbraw/zinc/36/43/97/630364397.db2.gz ZBGABKVODPOSEH-AWEZNQCLSA-N 1 1 298.386 3.209 20 30 CGEDMO CC[N@@H+](CCO[C@H](C)C#N)Cc1ccccc1Cl ZINC000801914065 630364693 /nfs/dbraw/zinc/36/46/93/630364693.db2.gz DWGLANHJGFSZNH-GFCCVEGCSA-N 1 1 266.772 3.091 20 30 CGEDMO CC[C@@H](c1ccccc1)[N@@H+](CC)CCO[C@H](C)C#N ZINC000801913226 630365067 /nfs/dbraw/zinc/36/50/67/630365067.db2.gz AXVRCYAEPCARAZ-ZBFHGGJFSA-N 1 1 260.381 3.388 20 30 CGEDMO Cc1ccc([C@@H]2CCC[N@@H+]2CCO[C@@H](C)C#N)cc1C ZINC000801915708 630365939 /nfs/dbraw/zinc/36/59/39/630365939.db2.gz MKGQDWWCWBEOAV-RDJZCZTQSA-N 1 1 272.392 3.369 20 30 CGEDMO CC(C)CC[C@@H]1CCCC[N@H+]1CCO[C@@H](C)C#N ZINC000801935416 630370336 /nfs/dbraw/zinc/37/03/36/630370336.db2.gz ZZTHWGLHGUFRGI-GJZGRUSLSA-N 1 1 252.402 3.206 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC000801941783 630371850 /nfs/dbraw/zinc/37/18/50/630371850.db2.gz WVZXTPCXWPCFKT-GDBMZVCRSA-N 1 1 258.365 3.142 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1[C@H](C)Cc2cc(F)ccc2[C@H]1C ZINC000801940983 630372189 /nfs/dbraw/zinc/37/21/89/630372189.db2.gz VRALBANZBNEIEZ-JHJVBQTASA-N 1 1 276.355 3.062 20 30 CGEDMO C=CCCCCCC[NH2+][C@@H]1CCN(CC)C[C@H]1C ZINC000806167639 630551347 /nfs/dbraw/zinc/55/13/47/630551347.db2.gz CNPWOEGLMKZLMG-HZPDHXFCSA-N 1 1 252.446 3.443 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCS[C@@H](C(C)C)C2)cc1 ZINC000809592041 630756485 /nfs/dbraw/zinc/75/64/85/630756485.db2.gz LPJYLRORHCSRKC-MRXNPFEDSA-N 1 1 259.418 3.241 20 30 CGEDMO C#Cc1ccc(C[NH2+][C@@H](CCN(C)C)C(C)(C)C)cc1 ZINC000809618908 630763114 /nfs/dbraw/zinc/76/31/14/630763114.db2.gz RQZFVCRJBQSBLO-KRWDZBQOSA-N 1 1 272.436 3.124 20 30 CGEDMO C#C[C@@H](CC)[NH2+]Cc1c(C)nn(-c2ccccc2)c1Cl ZINC000809686239 630782833 /nfs/dbraw/zinc/78/28/33/630782833.db2.gz COMPGKCAVOZIJT-ZDUSSCGKSA-N 1 1 287.794 3.336 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000809729556 630793560 /nfs/dbraw/zinc/79/35/60/630793560.db2.gz VSJCJVYDZBTLIB-IBGZPJMESA-N 1 1 292.382 3.431 20 30 CGEDMO CCCCCCCC(=O)O[C@@H](C)Cn1cc[nH+]c1C ZINC000810616155 630907500 /nfs/dbraw/zinc/90/75/00/630907500.db2.gz QWOCYYYPFGENHD-ZDUSSCGKSA-N 1 1 266.385 3.484 20 30 CGEDMO C=CCC[C@H](OC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC000810638867 630914863 /nfs/dbraw/zinc/91/48/63/630914863.db2.gz PGEYACNDAFLPCM-WMLDXEAASA-N 1 1 297.414 3.487 20 30 CGEDMO C=CCC[C@@H](C)OC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810651569 630917519 /nfs/dbraw/zinc/91/75/19/630917519.db2.gz NUYLFVZFHCHPHX-DOMZBBRYSA-N 1 1 271.376 3.097 20 30 CGEDMO C#CC[N@H+](C[C@@H](CC(C)C)NC(=O)OC(C)(C)C)C1CC1 ZINC000811490027 631074448 /nfs/dbraw/zinc/07/44/48/631074448.db2.gz KMPWSWBQBPBMHH-CQSZACIVSA-N 1 1 294.439 3.023 20 30 CGEDMO C[C@@H]1C(=NOCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000811645709 631096724 /nfs/dbraw/zinc/09/67/24/631096724.db2.gz WGSJLMAZQKJLNO-LLVKDONJSA-N 1 1 286.297 3.216 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CCC1=NOC/C=C\Cl ZINC000811668633 631107000 /nfs/dbraw/zinc/10/70/00/631107000.db2.gz IKBDMANHUUQFEY-KWKYUPDBSA-N 1 1 293.798 3.049 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000878711651 635613713 /nfs/dbraw/zinc/61/37/13/635613713.db2.gz MKJMJLPLQIWBOF-GUYCJALGSA-N 1 1 271.360 3.061 20 30 CGEDMO CC(C)OCCON=C1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000812239453 631229281 /nfs/dbraw/zinc/22/92/81/631229281.db2.gz UNHCYEZWQIWATI-HNNXBMFYSA-N 1 1 290.407 3.078 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@H+](CC)C[C@@H](C)OC ZINC000812806945 631316993 /nfs/dbraw/zinc/31/69/93/631316993.db2.gz AMWSPHMLBDMBTE-CYBMUJFWSA-N 1 1 295.810 3.209 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@@H+](CC)C[C@@H](C)OC ZINC000812806945 631316996 /nfs/dbraw/zinc/31/69/96/631316996.db2.gz AMWSPHMLBDMBTE-CYBMUJFWSA-N 1 1 295.810 3.209 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](C[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000878991604 635674168 /nfs/dbraw/zinc/67/41/68/635674168.db2.gz LVCBYUSPDAOCLU-BRWVUGGUSA-N 1 1 270.376 3.142 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](C[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000878991604 635674173 /nfs/dbraw/zinc/67/41/73/635674173.db2.gz LVCBYUSPDAOCLU-BRWVUGGUSA-N 1 1 270.376 3.142 20 30 CGEDMO CC(=NNc1cc[nH+]cc1)c1cccc(C2CC2)c1 ZINC000814899666 631670340 /nfs/dbraw/zinc/67/03/40/631670340.db2.gz HKTUAFMKNQFQEG-UHFFFAOYSA-N 1 1 251.333 3.217 20 30 CGEDMO C#CC[N@@H+](C)CCCNc1ncc(-c2ccccc2)s1 ZINC000814928968 631686321 /nfs/dbraw/zinc/68/63/21/631686321.db2.gz DNNSGSVKHZYGDM-UHFFFAOYSA-N 1 1 285.416 3.177 20 30 CGEDMO CCOc1ccc(N=NC2C[N@H+](C(C)C)C[C@H]2C)cc1 ZINC000814984410 631701824 /nfs/dbraw/zinc/70/18/24/631701824.db2.gz ZVSNBELPUIEWMM-CYBMUJFWSA-N 1 1 275.396 3.213 20 30 CGEDMO CC[N@@H+](Cc1ccc(N(C)C)c(C)c1)C[C@H](C)C#N ZINC000815031379 631705467 /nfs/dbraw/zinc/70/54/67/631705467.db2.gz SCYULGSPUWPGAJ-CYBMUJFWSA-N 1 1 259.397 3.043 20 30 CGEDMO CC[N@H+](Cc1ccc(N(C)C)c(C)c1)C[C@H](C)C#N ZINC000815031379 631705468 /nfs/dbraw/zinc/70/54/68/631705468.db2.gz SCYULGSPUWPGAJ-CYBMUJFWSA-N 1 1 259.397 3.043 20 30 CGEDMO CC#CC[N@@H+](C)Cc1cc(Cl)nc2ccccc12 ZINC000815287761 631754155 /nfs/dbraw/zinc/75/41/55/631754155.db2.gz OKCBALIVULCYFK-UHFFFAOYSA-N 1 1 258.752 3.343 20 30 CGEDMO CC(C)(C#N)CCOC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000815445223 631781486 /nfs/dbraw/zinc/78/14/86/631781486.db2.gz UPEAQKQTNLIIGK-HNNXBMFYSA-N 1 1 292.423 3.267 20 30 CGEDMO C#CC[N@@H+](C)CCCN[C@@H](CCC(C)C)c1ccoc1 ZINC000815652616 631814184 /nfs/dbraw/zinc/81/41/84/631814184.db2.gz JWDBYVMHXAGJSO-KRWDZBQOSA-N 1 1 276.424 3.302 20 30 CGEDMO C#CC[N@H+](C)CCCN[C@@H](CCC(C)C)c1ccoc1 ZINC000815652616 631814186 /nfs/dbraw/zinc/81/41/86/631814186.db2.gz JWDBYVMHXAGJSO-KRWDZBQOSA-N 1 1 276.424 3.302 20 30 CGEDMO C#CCCCC(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000816454540 631986167 /nfs/dbraw/zinc/98/61/67/631986167.db2.gz GNVIZIJNRCABBZ-WMZOPIPTSA-N 1 1 299.414 3.244 20 30 CGEDMO C=C(Br)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816548733 632007547 /nfs/dbraw/zinc/00/75/47/632007547.db2.gz QUKBNKCPSNRHNP-UHFFFAOYSA-N 1 1 294.551 3.183 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CC[C@H](c2ccccc2)C1(C)C ZINC000817297670 632117870 /nfs/dbraw/zinc/11/78/70/632117870.db2.gz UKKJJOGRUKTEBA-GDBMZVCRSA-N 1 1 272.392 3.183 20 30 CGEDMO C#C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1OC)[C@H]1CCCO1 ZINC000817584049 632190351 /nfs/dbraw/zinc/19/03/51/632190351.db2.gz QURGONGPABNVID-TUKIKUTGSA-N 1 1 293.794 3.180 20 30 CGEDMO C[N@H+](CCc1cccc(C#N)c1)Cc1scnc1Cl ZINC000879432699 635787736 /nfs/dbraw/zinc/78/77/36/635787736.db2.gz NYFXNUKMJPCRMZ-UHFFFAOYSA-N 1 1 291.807 3.343 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1scnc1Cl ZINC000879432699 635787739 /nfs/dbraw/zinc/78/77/39/635787739.db2.gz NYFXNUKMJPCRMZ-UHFFFAOYSA-N 1 1 291.807 3.343 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@H]3CSC[C@H]3C2)cc1C#N ZINC000879566078 635813172 /nfs/dbraw/zinc/81/31/72/635813172.db2.gz ZTLPFDVPGQFJOL-GOEBONIOSA-N 1 1 272.417 3.052 20 30 CGEDMO CN(C)c1[nH+]cc(/C=C\C(=O)c2ccc(Cl)cc2)n1C ZINC000821021098 632713344 /nfs/dbraw/zinc/71/33/44/632713344.db2.gz DEGRBFOZQQDRNL-HJWRWDBZSA-N 1 1 289.766 3.036 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000880053987 635905529 /nfs/dbraw/zinc/90/55/29/635905529.db2.gz VOCNZHFXBVZABQ-AWEZNQCLSA-N 1 1 298.308 3.020 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000880053987 635905537 /nfs/dbraw/zinc/90/55/37/635905537.db2.gz VOCNZHFXBVZABQ-AWEZNQCLSA-N 1 1 298.308 3.020 20 30 CGEDMO C=CCCCCC[N@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000880053919 635905736 /nfs/dbraw/zinc/90/57/36/635905736.db2.gz SXSYMJWCNXAKIW-LBPRGKRZSA-N 1 1 265.319 3.386 20 30 CGEDMO Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866266510 633052474 /nfs/dbraw/zinc/05/24/74/633052474.db2.gz IOADZVIMUALADB-UWVGGRQHSA-N 1 1 285.347 3.281 20 30 CGEDMO N#CCCC[C@@H]([NH3+])c1nc(-c2ccc(Cl)s2)no1 ZINC000823080033 633056453 /nfs/dbraw/zinc/05/64/53/633056453.db2.gz POSOBGVSTQQAGV-SSDOTTSWSA-N 1 1 282.756 3.145 20 30 CGEDMO Cc1ccc2oc(-c3noc([C@@H]([NH3+])CCCC#N)n3)cc2c1 ZINC000823135862 633065225 /nfs/dbraw/zinc/06/52/25/633065225.db2.gz YOWSSKHMQUEVQB-LBPRGKRZSA-N 1 1 296.330 3.485 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCC(C)(C)C#N)CC[C@H](C(F)(F)F)O1 ZINC000880059604 635905215 /nfs/dbraw/zinc/90/52/15/635905215.db2.gz JOXMMGJTGRFJCH-VXGBXAGGSA-N 1 1 292.345 3.358 20 30 CGEDMO C=CC[N@@H+](C[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(C)C ZINC000823408728 633099946 /nfs/dbraw/zinc/09/99/46/633099946.db2.gz PTMGKQHFZVAACA-CQSZACIVSA-N 1 1 295.448 3.090 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCCCCCO ZINC000823617463 633127129 /nfs/dbraw/zinc/12/71/29/633127129.db2.gz JKZDKBGLZIPWFV-CQSZACIVSA-N 1 1 260.381 3.104 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000826861618 633438335 /nfs/dbraw/zinc/43/83/35/633438335.db2.gz HLWAMFDONHGUHY-SNVBAGLBSA-N 1 1 282.746 3.310 20 30 CGEDMO N#CCCCC[N@@H+]1CCc2cc(F)c(F)cc2C1 ZINC000880446756 636001783 /nfs/dbraw/zinc/00/17/83/636001783.db2.gz QICORFCNSLMZBY-UHFFFAOYSA-N 1 1 250.292 3.017 20 30 CGEDMO N#CCCCC[N@H+]1CCc2cc(F)c(F)cc2C1 ZINC000880446756 636001787 /nfs/dbraw/zinc/00/17/87/636001787.db2.gz QICORFCNSLMZBY-UHFFFAOYSA-N 1 1 250.292 3.017 20 30 CGEDMO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000827651034 633507362 /nfs/dbraw/zinc/50/73/62/633507362.db2.gz YKTXLWYYSMZRIB-CHYADLBTSA-N 1 1 269.392 3.001 20 30 CGEDMO CN(C)c1ccc(/C=C\C[N@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000827651034 633507365 /nfs/dbraw/zinc/50/73/65/633507365.db2.gz YKTXLWYYSMZRIB-CHYADLBTSA-N 1 1 269.392 3.001 20 30 CGEDMO N#Cc1cnccc1C[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000827980330 633544516 /nfs/dbraw/zinc/54/45/16/633544516.db2.gz MCMHYQMOFFGHJF-UHFFFAOYSA-N 1 1 295.361 3.472 20 30 CGEDMO Cc1cc(C[N@H+](C)CCC#N)ccc1N1CCCCC1 ZINC000828015735 633549660 /nfs/dbraw/zinc/54/96/60/633549660.db2.gz JYCSGDXPXGELKI-UHFFFAOYSA-N 1 1 271.408 3.331 20 30 CGEDMO Cc1cc(C[N@@H+](C)CCC#N)ccc1N1CCCCC1 ZINC000828015735 633549662 /nfs/dbraw/zinc/54/96/62/633549662.db2.gz JYCSGDXPXGELKI-UHFFFAOYSA-N 1 1 271.408 3.331 20 30 CGEDMO C#CC[N@H+](CCc1cccc(C)n1)Cc1ccccc1 ZINC000828536356 633625637 /nfs/dbraw/zinc/62/56/37/633625637.db2.gz GQGCQPOGIPGHSM-UHFFFAOYSA-N 1 1 264.372 3.068 20 30 CGEDMO N#CC1(CC(=O)OC[C@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC000870732790 633638168 /nfs/dbraw/zinc/63/81/68/633638168.db2.gz JDHAEQKMFSTFSX-OAHLLOKOSA-N 1 1 290.407 3.021 20 30 CGEDMO N#CCCCC(=O)OC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000870734259 633638186 /nfs/dbraw/zinc/63/81/86/633638186.db2.gz URFPODICKCGIEB-HNNXBMFYSA-N 1 1 278.396 3.021 20 30 CGEDMO N#CC1(CC(=O)OC[C@@H]2CC[N@H+]2C2CCCCCC2)CC1 ZINC000870732789 633638209 /nfs/dbraw/zinc/63/82/09/633638209.db2.gz JDHAEQKMFSTFSX-HNNXBMFYSA-N 1 1 290.407 3.021 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@]1(C)Cc1cccc(F)c1 ZINC000829226657 633714862 /nfs/dbraw/zinc/71/48/62/633714862.db2.gz SHSJQXDXFGASEY-RHSMWYFYSA-N 1 1 290.382 3.151 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000829773138 633780187 /nfs/dbraw/zinc/78/01/87/633780187.db2.gz BBRWARPOUJSAQQ-MRXNPFEDSA-N 1 1 279.387 3.108 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2cncc(Br)c2)C1 ZINC000829784020 633782618 /nfs/dbraw/zinc/78/26/18/633782618.db2.gz DKOURWBQRDDDSI-LBPRGKRZSA-N 1 1 293.208 3.079 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cncc(Br)c2)C1 ZINC000829784020 633782623 /nfs/dbraw/zinc/78/26/23/633782623.db2.gz DKOURWBQRDDDSI-LBPRGKRZSA-N 1 1 293.208 3.079 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2nnc(-c3cccc(F)c3)o2)C1 ZINC000829784422 633782640 /nfs/dbraw/zinc/78/26/40/633782640.db2.gz JWHLRAJMGLSBQV-ZDUSSCGKSA-N 1 1 299.349 3.111 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cccc(COC)c2)C1 ZINC000829805654 633788982 /nfs/dbraw/zinc/78/89/82/633788982.db2.gz VSRMNXSNGMKLGD-OAHLLOKOSA-N 1 1 257.377 3.068 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](C[C@@H](O)c2cc3ccccc3o2)C1 ZINC000829815317 633795355 /nfs/dbraw/zinc/79/53/55/633795355.db2.gz JTQSKCCZGYRAKB-GDBMZVCRSA-N 1 1 283.371 3.202 20 30 CGEDMO C#CCCC[N@H+]1CCc2c(F)ccc(Br)c2C1 ZINC000830200860 633837195 /nfs/dbraw/zinc/83/71/95/633837195.db2.gz XSBONROZEQPKIE-UHFFFAOYSA-N 1 1 296.183 3.360 20 30 CGEDMO C#CCCC[N@@H+]1CCc2c(F)ccc(Br)c2C1 ZINC000830200860 633837199 /nfs/dbraw/zinc/83/71/99/633837199.db2.gz XSBONROZEQPKIE-UHFFFAOYSA-N 1 1 296.183 3.360 20 30 CGEDMO C#CC1CC[NH+](Cc2sc(C)nc2C(F)(F)F)CC1 ZINC000830345377 633853042 /nfs/dbraw/zinc/85/30/42/633853042.db2.gz BCQKQHXTQBAPDO-UHFFFAOYSA-N 1 1 288.338 3.316 20 30 CGEDMO CC(C)(C#N)c1ccccc1CO[NH+]=C(N)C1CCC1 ZINC000871766021 633856374 /nfs/dbraw/zinc/85/63/74/633856374.db2.gz GWMQZDCRJWBAMM-UHFFFAOYSA-N 1 1 271.364 3.286 20 30 CGEDMO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(C(F)(F)F)nc1 ZINC000871934008 633920262 /nfs/dbraw/zinc/92/02/62/633920262.db2.gz AYRGHVNWEXDZSN-GHMZBOCLSA-N 1 1 296.296 3.195 20 30 CGEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2ccc(C(C)C)nc2)no1 ZINC000872179766 634080522 /nfs/dbraw/zinc/08/05/22/634080522.db2.gz GFYPTNWOFSNCLW-NSHDSACASA-N 1 1 292.770 3.397 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872279945 634099519 /nfs/dbraw/zinc/09/95/19/634099519.db2.gz ICVQAKQIJOJVAF-DZGCQCFKSA-N 1 1 250.386 3.102 20 30 CGEDMO CCCCCCCC(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000832954324 634105463 /nfs/dbraw/zinc/10/54/63/634105463.db2.gz NOOZHBAAEXJJEI-OAHLLOKOSA-N 1 1 280.456 3.290 20 30 CGEDMO CC(C)(O)c1ccc(C[NH2+]Cc2cccc(F)c2C#N)cc1 ZINC000873108724 634247517 /nfs/dbraw/zinc/24/75/17/634247517.db2.gz QSIDFWXDEIWJOK-UHFFFAOYSA-N 1 1 298.361 3.215 20 30 CGEDMO CON=C1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]12 ZINC000834939044 634290526 /nfs/dbraw/zinc/29/05/26/634290526.db2.gz XFDHKRWLHFOZON-ZBFHGGJFSA-N 1 1 258.365 3.063 20 30 CGEDMO CN(C)c1ccc(/C=C\C[N@H+](CCC#N)CC2CC2)cc1 ZINC000835028752 634325330 /nfs/dbraw/zinc/32/53/30/634325330.db2.gz RYFNKAUWMCCLJL-HYXAFXHYSA-N 1 1 283.419 3.391 20 30 CGEDMO CN(C)c1ccc(/C=C\C[N@@H+](CCC#N)CC2CC2)cc1 ZINC000835028752 634325335 /nfs/dbraw/zinc/32/53/35/634325335.db2.gz RYFNKAUWMCCLJL-HYXAFXHYSA-N 1 1 283.419 3.391 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)Cc1cnc2c(cnn2C)c1 ZINC000876548016 634854793 /nfs/dbraw/zinc/85/47/93/634854793.db2.gz QVHIQHLACRGDRT-UHFFFAOYSA-N 1 1 298.415 3.218 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)Cc1cnc2c(cnn2C)c1 ZINC000876548016 634854794 /nfs/dbraw/zinc/85/47/94/634854794.db2.gz QVHIQHLACRGDRT-UHFFFAOYSA-N 1 1 298.415 3.218 20 30 CGEDMO C=CC[N@@H+](C[C@H]1CCN(c2ccccc2)C1)C(C)C ZINC000876596368 634864112 /nfs/dbraw/zinc/86/41/12/634864112.db2.gz HSZCGFGBHPMVJR-MRXNPFEDSA-N 1 1 258.409 3.409 20 30 CGEDMO C#CCCCCCC[N@H+](C)Cc1scnc1C ZINC000876688875 634880896 /nfs/dbraw/zinc/88/08/96/634880896.db2.gz XPIUYYIEQUFATM-UHFFFAOYSA-N 1 1 250.411 3.467 20 30 CGEDMO C#CCCCCCC[N@H+]1CCCC2(CCOCC2)C1 ZINC000876746174 634890249 /nfs/dbraw/zinc/89/02/49/634890249.db2.gz UXIDNWHHDNRPOG-UHFFFAOYSA-N 1 1 263.425 3.463 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1cnc2c(F)cccc2c1 ZINC000877363889 635031410 /nfs/dbraw/zinc/03/14/10/635031410.db2.gz IZVPBZVHJDDPIR-ZDUSSCGKSA-N 1 1 257.312 3.156 20 30 CGEDMO CCc1ccc(C(=O)/C=C/c2c[nH+]c(N(C)C)n2C)s1 ZINC000840715576 635041373 /nfs/dbraw/zinc/04/13/73/635041373.db2.gz RMQGHQMBGGDNPA-SOFGYWHQSA-N 1 1 289.404 3.006 20 30 CGEDMO C[C@@H](CCC#N)C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000877496157 635060543 /nfs/dbraw/zinc/06/05/43/635060543.db2.gz MRNKTPQEQAZHQZ-HKUYNNGSSA-N 1 1 299.462 3.428 20 30 CGEDMO C[C@@H](CCC#N)C[NH2+]C[C@]1(C)CCN(Cc2ccccc2)C1 ZINC000877496157 635060549 /nfs/dbraw/zinc/06/05/49/635060549.db2.gz MRNKTPQEQAZHQZ-HKUYNNGSSA-N 1 1 299.462 3.428 20 30 CGEDMO C#CCCCCCC[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000877516081 635067030 /nfs/dbraw/zinc/06/70/30/635067030.db2.gz BNYALJWHNZDJRM-KGLIPLIRSA-N 1 1 291.357 3.063 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000877540272 635079906 /nfs/dbraw/zinc/07/99/06/635079906.db2.gz VGSGOBIXJBXMNY-CRAIPNDOSA-N 1 1 284.403 3.396 20 30 CGEDMO C#CCCCCCC[N@@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000877608648 635110622 /nfs/dbraw/zinc/11/06/22/635110622.db2.gz YAPXFCFFLWFTNH-INIZCTEOSA-N 1 1 263.425 3.461 20 30 CGEDMO COc1ccc(N[NH2+]C(C)=C2CC2(F)F)c([N+](=O)[O-])c1 ZINC000841630552 635201843 /nfs/dbraw/zinc/20/18/43/635201843.db2.gz RBVSXSHENHIERR-SECBINFHSA-N 1 1 285.250 3.046 20 30 CGEDMO COc1cc(F)ccc1N[NH2+]C(C)=C1CC1(F)F ZINC000841635940 635204220 /nfs/dbraw/zinc/20/42/20/635204220.db2.gz RLBSQVOTRRAAIR-SECBINFHSA-N 1 1 258.243 3.277 20 30 CGEDMO N#CC1(C[NH2+]Cc2cncc3ccccc32)CCC1 ZINC000841898305 635250713 /nfs/dbraw/zinc/25/07/13/635250713.db2.gz MKWYOKZLYRRBKH-UHFFFAOYSA-N 1 1 251.333 3.018 20 30 CGEDMO CCC[N@@H+](CC[C@@H](O)C(C)C)Cc1ccc(C#N)cc1 ZINC000877961748 635290410 /nfs/dbraw/zinc/29/04/10/635290410.db2.gz QQPNJHKNCQDVAP-QGZVFWFLSA-N 1 1 274.408 3.177 20 30 CGEDMO CC[N@@H+](C[C@H]1C[C@@H](OC)C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000877990242 635309227 /nfs/dbraw/zinc/30/92/27/635309227.db2.gz BXLYRKUTMBJMGW-JLJPHGGASA-N 1 1 272.392 3.366 20 30 CGEDMO N#Cc1ccc(C[N@@H+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)C2CC2)cc1 ZINC000878002248 635315620 /nfs/dbraw/zinc/31/56/20/635315620.db2.gz RTHADHQJWXVRTE-NEWSRXKRSA-N 1 1 296.414 3.480 20 30 CGEDMO N#CC1CC[NH+](C[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000878015715 635321294 /nfs/dbraw/zinc/32/12/94/635321294.db2.gz BOBCTYAFIVSTTJ-AWEZNQCLSA-N 1 1 299.201 3.262 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000878104570 635356924 /nfs/dbraw/zinc/35/69/24/635356924.db2.gz XVIDAVRQUJGGNI-HNNXBMFYSA-N 1 1 288.391 3.158 20 30 CGEDMO C#CCCCCC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000878101028 635358009 /nfs/dbraw/zinc/35/80/09/635358009.db2.gz JYZFNCSSLFDMCL-MRXNPFEDSA-N 1 1 292.467 3.054 20 30 CGEDMO C[C@H]1CC[N@H+](Cc2ccccc2)CC1=NNC12CC(C1)C2 ZINC000842546025 635399188 /nfs/dbraw/zinc/39/91/88/635399188.db2.gz CAUOZVVRBOBNRO-NXVRBGIVSA-N 1 1 283.419 3.027 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CC1=NNC12CC(C1)C2 ZINC000842546025 635399197 /nfs/dbraw/zinc/39/91/97/635399197.db2.gz CAUOZVVRBOBNRO-NXVRBGIVSA-N 1 1 283.419 3.027 20 30 CGEDMO C#CCCCCC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000878188917 635403702 /nfs/dbraw/zinc/40/37/02/635403702.db2.gz PWFKAHQKNCSRJW-CVEARBPZSA-N 1 1 275.392 3.361 20 30 CGEDMO C=CC[N@@H+](CN1C[C@@](C)(Cc2ccccc2)CC1=O)C1CC1 ZINC000842602422 635413983 /nfs/dbraw/zinc/41/39/83/635413983.db2.gz VKYJVUUAOBZNRP-IBGZPJMESA-N 1 1 298.430 3.076 20 30 CGEDMO C=CC[N@H+](CN1C[C@@](C)(Cc2ccccc2)CC1=O)C1CC1 ZINC000842602422 635413993 /nfs/dbraw/zinc/41/39/93/635413993.db2.gz VKYJVUUAOBZNRP-IBGZPJMESA-N 1 1 298.430 3.076 20 30 CGEDMO C=CC[N@H+](C)C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878461583 635518348 /nfs/dbraw/zinc/51/83/48/635518348.db2.gz MVNWUDPVTDXUTG-GFCCVEGCSA-N 1 1 260.164 3.145 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000878676849 635601188 /nfs/dbraw/zinc/60/11/88/635601188.db2.gz AVVAUMBWGMOTNC-CQSZACIVSA-N 1 1 274.412 3.303 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@@H+]1C[C@H](C)[C@@H](C)[C@@H]1C)c1ccccc1 ZINC000878719014 635615364 /nfs/dbraw/zinc/61/53/64/635615364.db2.gz ZRMSROGYUMQPDK-CYJAXWMASA-N 1 1 298.430 3.403 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000878843904 635640247 /nfs/dbraw/zinc/64/02/47/635640247.db2.gz LZCDMZVYEKBLNZ-BPQIPLTHSA-N 1 1 269.388 3.252 20 30 CGEDMO C=CC[C@H](C)[N@H+]1Cc2ccc(NC(=O)C(F)(F)F)cc2C1 ZINC000878887645 635650403 /nfs/dbraw/zinc/65/04/03/635650403.db2.gz MFSFJDNZWZIUPM-JTQLQIEISA-N 1 1 298.308 3.468 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000878903558 635654390 /nfs/dbraw/zinc/65/43/90/635654390.db2.gz GEXCYJMTPGGRSW-ZFWWWQNUSA-N 1 1 267.376 3.384 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2nnc(-c3ccccc3O)o2)C1 ZINC000878914786 635656605 /nfs/dbraw/zinc/65/66/05/635656605.db2.gz JTRJESYCHOBNBZ-CYBMUJFWSA-N 1 1 299.374 3.230 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2cccc3cc[nH]c32)C1 ZINC000843423834 635668211 /nfs/dbraw/zinc/66/82/11/635668211.db2.gz KPSNFYDSLPQWFQ-AWEZNQCLSA-N 1 1 252.361 3.403 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC000843424144 635668465 /nfs/dbraw/zinc/66/84/65/635668465.db2.gz PBXOOPBFVKVVHP-CQSZACIVSA-N 1 1 252.361 3.403 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cn(C(C)C)nc2C)C1 ZINC000843424100 635668747 /nfs/dbraw/zinc/66/87/47/635668747.db2.gz VUEGPAODNUFVKQ-OAHLLOKOSA-N 1 1 259.397 3.008 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000843423870 635668962 /nfs/dbraw/zinc/66/89/62/635668962.db2.gz LGARDBPSRHBGQN-CYBMUJFWSA-N 1 1 274.433 3.257 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000843424603 635669796 /nfs/dbraw/zinc/66/97/96/635669796.db2.gz WWOKTOBYXBRRJS-UKRRQHHQSA-N 1 1 290.432 3.230 20 30 CGEDMO C#CC1CC[NH+](Cc2cc(O)cc(C(F)(F)F)c2)CC1 ZINC000843426800 635671362 /nfs/dbraw/zinc/67/13/62/635671362.db2.gz KOQOBMVVJNPXTF-UHFFFAOYSA-N 1 1 283.293 3.256 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H]1[C@H](O)c1ccccc1 ZINC000879243849 635732330 /nfs/dbraw/zinc/73/23/30/635732330.db2.gz MNMIWPSWLYHGGM-HZPDHXFCSA-N 1 1 272.392 3.124 20 30 CGEDMO C[N@H+](C[C@]1(C)CC1(Cl)Cl)[C@@H]1CCC[C@@H]1C#N ZINC000879309202 635751664 /nfs/dbraw/zinc/75/16/64/635751664.db2.gz LZQJDNDVQBDKLL-MXWKQRLJSA-N 1 1 261.196 3.194 20 30 CGEDMO C[N@@H+](C[C@]1(C)CC1(Cl)Cl)[C@@H]1CCC[C@@H]1C#N ZINC000879309202 635751669 /nfs/dbraw/zinc/75/16/69/635751669.db2.gz LZQJDNDVQBDKLL-MXWKQRLJSA-N 1 1 261.196 3.194 20 30 CGEDMO CO[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000879325114 635758708 /nfs/dbraw/zinc/75/87/08/635758708.db2.gz LOHCJFLAAAOERH-YOEHRIQHSA-N 1 1 286.419 3.487 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1ccc(CC#N)cc1 ZINC000879432050 635786031 /nfs/dbraw/zinc/78/60/31/635786031.db2.gz ALDUPVDPGPGSGA-UHFFFAOYSA-N 1 1 289.382 3.299 20 30 CGEDMO C#C[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000843968049 635802774 /nfs/dbraw/zinc/80/27/74/635802774.db2.gz RUMVHOITDFZSIB-GOSISDBHSA-N 1 1 298.430 3.132 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879566527 635812585 /nfs/dbraw/zinc/81/25/85/635812585.db2.gz VZQAKCNAQHGEAL-UONOGXRCSA-N 1 1 266.454 3.391 20 30 CGEDMO CC(C)(O)C1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000879627767 635820950 /nfs/dbraw/zinc/82/09/50/635820950.db2.gz RKUIEISSIAYBNY-UHFFFAOYSA-N 1 1 291.822 3.174 20 30 CGEDMO C[N@@H+](C[C@@H](O)c1cccc(C#N)c1)CC1CCCCCC1 ZINC000844367464 635882225 /nfs/dbraw/zinc/88/22/25/635882225.db2.gz BPWFDQRPIONLMI-GOSISDBHSA-N 1 1 286.419 3.494 20 30 CGEDMO CC(C)(O)[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000879962804 635890056 /nfs/dbraw/zinc/89/00/56/635890056.db2.gz CBEWYODCXHTFAY-HNNXBMFYSA-N 1 1 291.822 3.174 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CC[C@]2(CCc3ccccc32)C1 ZINC000879997008 635893142 /nfs/dbraw/zinc/89/31/42/635893142.db2.gz LYGMLQWQDDFEBD-RHSMWYFYSA-N 1 1 254.377 3.269 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c1F ZINC000844441453 635903652 /nfs/dbraw/zinc/90/36/52/635903652.db2.gz NBZDGKXXNUTVCO-AWEZNQCLSA-N 1 1 280.293 3.319 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)c1F ZINC000844441453 635903654 /nfs/dbraw/zinc/90/36/54/635903654.db2.gz NBZDGKXXNUTVCO-AWEZNQCLSA-N 1 1 280.293 3.319 20 30 CGEDMO C[C@H](CCC#N)[NH+]1CCN([C@H](C)c2ccccc2)CC1 ZINC000880251064 635956866 /nfs/dbraw/zinc/95/68/66/635956866.db2.gz PQXPEBIXXVSYLD-HZPDHXFCSA-N 1 1 271.408 3.057 20 30 CGEDMO C#CCC(C)(C)C(=O)NCCC[N@H+](CC)C1CCCCC1 ZINC000844780165 635962254 /nfs/dbraw/zinc/96/22/54/635962254.db2.gz UELYPEKASZSKIY-UHFFFAOYSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCOCC[N@H+]1CCCSC[C@@H]1c1ccccc1 ZINC000880388500 635991410 /nfs/dbraw/zinc/99/14/10/635991410.db2.gz KSXFRVWTRQMDAD-MRXNPFEDSA-N 1 1 277.433 3.369 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCc3cc(F)c(F)cc3C2)C1 ZINC000880443230 636000925 /nfs/dbraw/zinc/00/09/25/636000925.db2.gz CXVBTUDLXPXIOC-MFKMUULPSA-N 1 1 262.303 3.015 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@@H+]2CCc3cc(F)c(F)cc3C2)C1 ZINC000880443230 636000930 /nfs/dbraw/zinc/00/09/30/636000930.db2.gz CXVBTUDLXPXIOC-MFKMUULPSA-N 1 1 262.303 3.015 20 30 CGEDMO C=CCC(C)(C)C(=O)OC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000845727459 636086183 /nfs/dbraw/zinc/08/61/83/636086183.db2.gz BIGTWSRZOCCRII-GFCCVEGCSA-N 1 1 253.386 3.005 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000847021688 636313493 /nfs/dbraw/zinc/31/34/93/636313493.db2.gz AQAARSRSBYPBQH-CYBMUJFWSA-N 1 1 268.335 3.219 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(-n3nc(C)cc3C)cc2)C1 ZINC000847028527 636318538 /nfs/dbraw/zinc/31/85/38/636318538.db2.gz HJTSXOPWZLZKFQ-QGZVFWFLSA-N 1 1 293.414 3.334 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000847034385 636319676 /nfs/dbraw/zinc/31/96/76/636319676.db2.gz HVBJMGUIPMOTAL-GFCCVEGCSA-N 1 1 256.374 3.142 20 30 CGEDMO C#CCOc1ccc(CNc2[nH+]cccc2C)cc1 ZINC000130978573 636539419 /nfs/dbraw/zinc/53/94/19/636539419.db2.gz QQRLULVQNFYNEL-UHFFFAOYSA-N 1 1 252.317 3.014 20 30 CGEDMO C=CCC[C@H]([NH2+]C1CCN(CC(C)C)CC1)[C@H]1CCCO1 ZINC000883169851 636565141 /nfs/dbraw/zinc/56/51/41/636565141.db2.gz FSZMSZOKRZVHNJ-ZWKOTPCHSA-N 1 1 294.483 3.210 20 30 CGEDMO Fc1ccc(N=NC2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000848399424 636567419 /nfs/dbraw/zinc/56/74/19/636567419.db2.gz REBSEQZOWJNWCE-OAHLLOKOSA-N 1 1 261.344 3.242 20 30 CGEDMO C[C@@H]1CCC[N@@H+]1CCNCc1ccc(C(C)(C)C#N)cc1 ZINC000848541842 636597982 /nfs/dbraw/zinc/59/79/82/636597982.db2.gz XPTSEXIGQJJOKS-OAHLLOKOSA-N 1 1 285.435 3.062 20 30 CGEDMO C[C@@H]1CCC[N@H+]1CCNCc1ccc(C(C)(C)C#N)cc1 ZINC000848541842 636597988 /nfs/dbraw/zinc/59/79/88/636597988.db2.gz XPTSEXIGQJJOKS-OAHLLOKOSA-N 1 1 285.435 3.062 20 30 CGEDMO Cc1ccc(F)c(-c2noc([C@@H]([NH3+])CCCCC#N)n2)c1 ZINC000848627409 636623486 /nfs/dbraw/zinc/62/34/86/636623486.db2.gz MGPPDTFLKKVZQN-ZDUSSCGKSA-N 1 1 288.326 3.268 20 30 CGEDMO N#CCCCC[C@@H]([NH3+])c1nc([C@H]2CCC(F)(F)C2)no1 ZINC000848632149 636624314 /nfs/dbraw/zinc/62/43/14/636624314.db2.gz OIWYGNXMRPIJQL-VHSXEESVSA-N 1 1 284.310 3.056 20 30 CGEDMO N#Cc1c(Cl)nsc1N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848783978 636657493 /nfs/dbraw/zinc/65/74/93/636657493.db2.gz JAWRQMOPHJLYIL-WDEREUQCSA-N 1 1 296.827 3.097 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc3cnccc3c2)C1 ZINC000848923516 636694164 /nfs/dbraw/zinc/69/41/64/636694164.db2.gz GHIPNEXZBSTNNO-CQSZACIVSA-N 1 1 250.345 3.080 20 30 CGEDMO Cc1ccncc1CCC[N@@H+]1Cc2ccc(C#N)cc2C1 ZINC000848926083 636698928 /nfs/dbraw/zinc/69/89/28/636698928.db2.gz QFPQCUHQGIUFOB-UHFFFAOYSA-N 1 1 277.371 3.210 20 30 CGEDMO Cc1ccncc1CCC[N@H+]1Cc2ccc(C#N)cc2C1 ZINC000848926083 636698930 /nfs/dbraw/zinc/69/89/30/636698930.db2.gz QFPQCUHQGIUFOB-UHFFFAOYSA-N 1 1 277.371 3.210 20 30 CGEDMO C#CC1([NH2+]Cc2nc3cc(F)ccc3o2)CCCC1 ZINC000883361862 636703700 /nfs/dbraw/zinc/70/37/00/636703700.db2.gz NTZTUPRMQCEYOP-UHFFFAOYSA-N 1 1 258.296 3.003 20 30 CGEDMO CC(C)(C)[N@H+]1CC[C@H]1CN=Cc1cc2ccccc2[nH]c1=O ZINC000849171487 636764075 /nfs/dbraw/zinc/76/40/75/636764075.db2.gz XQXUFWJBONPUME-BKQORJHRSA-N 1 1 297.402 3.232 20 30 CGEDMO CC1(C)Nc2ccccc2[C@@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000883465555 636764166 /nfs/dbraw/zinc/76/41/66/636764166.db2.gz SFBUEVVEZRWCPW-HNNXBMFYSA-N 1 1 267.332 3.186 20 30 CGEDMO C=C(Cl)C[N@@H+](CCCO)Cc1cccc(Cl)c1 ZINC000134292977 637013719 /nfs/dbraw/zinc/01/37/19/637013719.db2.gz VJZUDMGNVXSGRT-UHFFFAOYSA-N 1 1 274.191 3.277 20 30 CGEDMO C=C(Cl)C[N@H+](CCCO)Cc1cccc(Cl)c1 ZINC000134292977 637013728 /nfs/dbraw/zinc/01/37/28/637013728.db2.gz VJZUDMGNVXSGRT-UHFFFAOYSA-N 1 1 274.191 3.277 20 30 CGEDMO C=C(Cl)C[N@H+](Cc1ccccc1)C[C@@H](O)CC ZINC000134500118 637025033 /nfs/dbraw/zinc/02/50/33/637025033.db2.gz QPLWRHCQFALWEM-AWEZNQCLSA-N 1 1 253.773 3.012 20 30 CGEDMO C=C(Cl)C[N@@H+](Cc1ccccc1)C[C@@H](O)CC ZINC000134500118 637025041 /nfs/dbraw/zinc/02/50/41/637025041.db2.gz QPLWRHCQFALWEM-AWEZNQCLSA-N 1 1 253.773 3.012 20 30 CGEDMO C[C@@H]1C[C@@H](C)[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000134970936 637059558 /nfs/dbraw/zinc/05/95/58/637059558.db2.gz BSESSDXEVNDRRY-ZIAGYGMSSA-N 1 1 258.365 3.057 20 30 CGEDMO C#CC[N@@H+](CC(=O)Nc1ccc(C)cc1)C1CCCCC1 ZINC000109356881 637074181 /nfs/dbraw/zinc/07/41/81/637074181.db2.gz LYUHHTNGKSBAOW-UHFFFAOYSA-N 1 1 284.403 3.201 20 30 CGEDMO C#CC[N@H+](CC(=O)Nc1ccc(C)cc1)C1CCCCC1 ZINC000109356881 637074188 /nfs/dbraw/zinc/07/41/88/637074188.db2.gz LYUHHTNGKSBAOW-UHFFFAOYSA-N 1 1 284.403 3.201 20 30 CGEDMO Cc1ccccc1CC(N)=[NH+]OCCCC(C)(C)C#N ZINC000135510723 637137944 /nfs/dbraw/zinc/13/79/44/637137944.db2.gz CWNXHQZIMOGGGY-UHFFFAOYSA-N 1 1 273.380 3.156 20 30 CGEDMO CC[N@H+](Cc1ccccc1C)C[C@H](O)CC1(C#N)CCC1 ZINC000885942760 637324277 /nfs/dbraw/zinc/32/42/77/637324277.db2.gz RNADJSWKNUQYSW-QGZVFWFLSA-N 1 1 286.419 3.262 20 30 CGEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1C[C@@]12CCOC2 ZINC000885970792 637337793 /nfs/dbraw/zinc/33/77/93/637337793.db2.gz KLGWGCQMYWSNDB-RBUKOAKNSA-N 1 1 298.430 3.443 20 30 CGEDMO CCCCCC[N@@H+](C)CC(=O)Nc1ccc(CC#N)cc1 ZINC000109941783 637367858 /nfs/dbraw/zinc/36/78/58/637367858.db2.gz NYZXZDBVQBPTMP-UHFFFAOYSA-N 1 1 287.407 3.203 20 30 CGEDMO CC(C)[N@@H+](C[C@H](O)CC1(C#N)CCC1)C1CCCCC1 ZINC000886059980 637393913 /nfs/dbraw/zinc/39/39/13/637393913.db2.gz QOTCTMMIZXWDNQ-MRXNPFEDSA-N 1 1 278.440 3.474 20 30 CGEDMO CC(C)C[C@@]1(C)CCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886223388 637464138 /nfs/dbraw/zinc/46/41/38/637464138.db2.gz KPNWVFMGQZCRJY-HZPDHXFCSA-N 1 1 278.440 3.332 20 30 CGEDMO CC[N@@H+](CCOC(F)F)[C@H](C)c1ccc(C#N)cc1 ZINC000851736046 637483418 /nfs/dbraw/zinc/48/34/18/637483418.db2.gz LLMLTPLKRSMXNL-LLVKDONJSA-N 1 1 268.307 3.180 20 30 CGEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)CCC1 ZINC000886288755 637485158 /nfs/dbraw/zinc/48/51/58/637485158.db2.gz GVORFLUHSKGVPJ-JYJNAYRXSA-N 1 1 276.424 3.086 20 30 CGEDMO C/C=C/C[C@@H]1CCC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886303837 637490831 /nfs/dbraw/zinc/49/08/31/637490831.db2.gz HHHMUOLSNKPIHY-VNHAASDWSA-N 1 1 276.424 3.109 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CC[C@H]2Cc2ccccc2)cc1 ZINC000851806197 637509587 /nfs/dbraw/zinc/50/95/87/637509587.db2.gz LCHYLPNTQSPIFO-IBGZPJMESA-N 1 1 276.383 3.418 20 30 CGEDMO C#CC[C@H]1CC[N@H+](C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000886356123 637510733 /nfs/dbraw/zinc/51/07/33/637510733.db2.gz UHVLCPRUBCPZIN-SWLSCSKDSA-N 1 1 297.320 3.084 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(-c3ncco3)cc2F)C1 ZINC000886366041 637515404 /nfs/dbraw/zinc/51/54/04/637515404.db2.gz VUGPCRASYUQDSA-ZDUSSCGKSA-N 1 1 284.334 3.326 20 30 CGEDMO N#Cc1cccc([C@H]2C[N@H+](CCC3CCC3)CCO2)c1 ZINC000851881582 637530177 /nfs/dbraw/zinc/53/01/77/637530177.db2.gz LRHWHBUYERNKIV-QGZVFWFLSA-N 1 1 270.376 3.122 20 30 CGEDMO N#Cc1cccc([C@H]2C[N@@H+](CCC3CCC3)CCO2)c1 ZINC000851881582 637530182 /nfs/dbraw/zinc/53/01/82/637530182.db2.gz LRHWHBUYERNKIV-QGZVFWFLSA-N 1 1 270.376 3.122 20 30 CGEDMO C[C@H]([NH2+]Cc1cc(C2CC2)no1)c1ccc(OCC#N)cc1 ZINC000851900344 637537257 /nfs/dbraw/zinc/53/72/57/637537257.db2.gz SNXRAPXIJAFOFN-LBPRGKRZSA-N 1 1 297.358 3.305 20 30 CGEDMO C#C[C@](C)(CC)[NH2+][C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000852098932 637592882 /nfs/dbraw/zinc/59/28/82/637592882.db2.gz ZMVFTVHKAFRNTB-BLLLJJGKSA-N 1 1 269.348 3.189 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+]Cc1ccc(Cl)nc1Cl ZINC000852103217 637597875 /nfs/dbraw/zinc/59/78/75/637597875.db2.gz ALRUXLSNZPLVEJ-LBPRGKRZSA-N 1 1 257.164 3.280 20 30 CGEDMO C[C@@]1(C[N@H+]2CCC[C@@H](CC#N)C2)CC1(Cl)Cl ZINC000852319738 637633508 /nfs/dbraw/zinc/63/35/08/637633508.db2.gz RFBCXIUSHYSINE-QWRGUYRKSA-N 1 1 261.196 3.196 20 30 CGEDMO Cc1cccc(C)c1[C@H]1CCC[N@@H+]1CCO[C@@H](C)C#N ZINC000852312596 637633620 /nfs/dbraw/zinc/63/36/20/637633620.db2.gz OFPQXZXPZXJDFE-JKSUJKDBSA-N 1 1 272.392 3.369 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852333948 637635995 /nfs/dbraw/zinc/63/59/95/637635995.db2.gz ZDRLRHPHFKQLOE-QGZVFWFLSA-N 1 1 269.392 3.295 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852333948 637636000 /nfs/dbraw/zinc/63/60/00/637636000.db2.gz ZDRLRHPHFKQLOE-QGZVFWFLSA-N 1 1 269.392 3.295 20 30 CGEDMO C=CC[N@H+](Cc1ccc(N(C)CC)cc1)[C@H](C)COC ZINC000852356423 637641867 /nfs/dbraw/zinc/64/18/67/637641867.db2.gz DPBQHHAFMQNMEY-OAHLLOKOSA-N 1 1 276.424 3.166 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](C[C@@H](O)c2cc(F)ccc2F)C1 ZINC000852410913 637648893 /nfs/dbraw/zinc/64/88/93/637648893.db2.gz QGXYRAPRWHWCQM-BLLLJJGKSA-N 1 1 281.346 3.286 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CC[C@H](O)c2ccccc2)C1 ZINC000852410895 637649881 /nfs/dbraw/zinc/64/98/81/637649881.db2.gz PXHKARQOHOYDSK-WBVHZDCISA-N 1 1 259.393 3.398 20 30 CGEDMO C=CC[N@@H+](C[C@H](O)c1ccc(F)cc1F)C(C)(C)C ZINC000852553716 637676990 /nfs/dbraw/zinc/67/69/90/637676990.db2.gz TTXYLCNUGLCWCP-AWEZNQCLSA-N 1 1 269.335 3.285 20 30 CGEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000852634052 637688003 /nfs/dbraw/zinc/68/80/03/637688003.db2.gz FMPUCKCPTIPXLV-RYUDHWBXSA-N 1 1 276.767 3.084 20 30 CGEDMO CC(=[NH+]N1CCCC[C@H]1C)c1cc(F)c(N)c(F)c1 ZINC000853381436 637830809 /nfs/dbraw/zinc/83/08/09/637830809.db2.gz CSETWYBTWBGCLA-SECBINFHSA-N 1 1 267.323 3.145 20 30 CGEDMO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000853525337 637861690 /nfs/dbraw/zinc/86/16/90/637861690.db2.gz CZVCORHYRNRKLP-AWEZNQCLSA-N 1 1 258.365 3.135 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000853536214 637864025 /nfs/dbraw/zinc/86/40/25/637864025.db2.gz PLEHQVOIVVYPRM-CQSZACIVSA-N 1 1 275.392 3.497 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1CCN(c2ccccc2)C1=O ZINC000853597522 637872045 /nfs/dbraw/zinc/87/20/45/637872045.db2.gz AWVQHEHEQHJCPL-CALCHBBNSA-N 1 1 297.402 3.069 20 30 CGEDMO CC(C)(C)[N@H+]1CC[C@H](CNc2snc(Cl)c2C#N)C1 ZINC000853745864 637907568 /nfs/dbraw/zinc/90/75/68/637907568.db2.gz CBHYKMJNIUAVSZ-SECBINFHSA-N 1 1 298.843 3.200 20 30 CGEDMO C=C[C@H](C)[NH2+][C@@H](C)c1nc(Br)ccc1F ZINC000925263169 638484326 /nfs/dbraw/zinc/48/43/26/638484326.db2.gz PUCJEGMTJKYAMX-YUMQZZPRSA-N 1 1 273.149 3.208 20 30 CGEDMO COc1ccc(C[NH2+][C@@H]2CCCc3oc(C)nc32)cc1C#N ZINC000925594126 638540284 /nfs/dbraw/zinc/54/02/84/638540284.db2.gz MPRFFUGASHBMEU-CQSZACIVSA-N 1 1 297.358 3.031 20 30 CGEDMO C=CC[C@H](C)[C@@H](C)[N@H+]1CCOc2ccc(N)cc2C1 ZINC000925753139 638597177 /nfs/dbraw/zinc/59/71/77/638597177.db2.gz NGXPSGDSMMCKRZ-QWHCGFSZSA-N 1 1 260.381 3.064 20 30 CGEDMO N#Cc1cccc(C2(N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2)c1 ZINC000925926213 638655704 /nfs/dbraw/zinc/65/57/04/638655704.db2.gz MQWUZRMDMJLYAH-ROUUACIJSA-N 1 1 295.430 3.154 20 30 CGEDMO N#Cc1cccc(C2(N[C@H]3CCC[N@H+]4CCCC[C@@H]34)CC2)c1 ZINC000925926213 638655709 /nfs/dbraw/zinc/65/57/09/638655709.db2.gz MQWUZRMDMJLYAH-ROUUACIJSA-N 1 1 295.430 3.154 20 30 CGEDMO C[C@@H](C#N)Oc1ccccc1N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858403297 638704674 /nfs/dbraw/zinc/70/46/74/638704674.db2.gz ADPPSHBBEPTHPC-UONOGXRCSA-N 1 1 287.407 3.262 20 30 CGEDMO C[C@H](CC(C)(C)C#N)[NH2+]CC1(CN(C)C)CCCC1 ZINC000926167446 638728311 /nfs/dbraw/zinc/72/83/11/638728311.db2.gz OBUSANUYZCONOU-CQSZACIVSA-N 1 1 265.445 3.026 20 30 CGEDMO C#C[C@H]([NH2+][C@H](C)c1cc(-c2ccccc2)no1)[C@H]1CCCO1 ZINC000926210898 638742083 /nfs/dbraw/zinc/74/20/83/638742083.db2.gz QRHDXPGLUJMNPH-UKPHBRMFSA-N 1 1 296.370 3.173 20 30 CGEDMO C=C1CCC(C[NH2+][C@H](c2ncc[nH]2)c2ccccn2)CC1 ZINC000926925236 638826429 /nfs/dbraw/zinc/82/64/29/638826429.db2.gz JGWMTDYOIXLMEO-INIZCTEOSA-N 1 1 282.391 3.230 20 30 CGEDMO C=CCn1ncc2ccc(N[C@H]3C[N@@H+](C4CC4)C[C@H]3C)cc21 ZINC000927067651 638837600 /nfs/dbraw/zinc/83/76/00/638837600.db2.gz QJRCEYKEHGAEJS-DYVFJYSZSA-N 1 1 296.418 3.117 20 30 CGEDMO CC[N@H+](Cc1cc(Cl)cc(C#N)c1)C[C@H]1CCOC1 ZINC000929287467 638915608 /nfs/dbraw/zinc/91/56/08/638915608.db2.gz LSFXTBGVXFZZCT-GFCCVEGCSA-N 1 1 278.783 3.070 20 30 CGEDMO C[C@H](C[N@@H+](C)Cc1cncc(C#N)c1)c1ccccc1 ZINC000929490775 638928431 /nfs/dbraw/zinc/92/84/31/638928431.db2.gz PZXDCMJSWSLTMK-CQSZACIVSA-N 1 1 265.360 3.189 20 30 CGEDMO C[C@H](O)[C@H]1CCCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000929596193 638932972 /nfs/dbraw/zinc/93/29/72/638932972.db2.gz XUCUHKAKBOCABC-LSDHHAIUSA-N 1 1 264.413 3.086 20 30 CGEDMO CCn1cc(C[N@@H+](C)CCCCC2(C#N)CCC2)cn1 ZINC000929643635 638936902 /nfs/dbraw/zinc/93/69/02/638936902.db2.gz BYVSCIGKLIEMMR-UHFFFAOYSA-N 1 1 274.412 3.199 20 30 CGEDMO Cc1ccc([C@H]2[C@H](C)CCC[N@H+]2C[C@H](O)CC#N)cc1 ZINC000929686664 638940829 /nfs/dbraw/zinc/94/08/29/638940829.db2.gz COGUGFLGXFSWIM-DJIMGWMZSA-N 1 1 272.392 3.043 20 30 CGEDMO Cc1ccc([C@H]2[C@@H](C)CCC[N@H+]2C[C@H](O)CC#N)cc1 ZINC000929687139 638940857 /nfs/dbraw/zinc/94/08/57/638940857.db2.gz COGUGFLGXFSWIM-USXIJHARSA-N 1 1 272.392 3.043 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCOC[C@@H]2c2ccccc2)CC1 ZINC000929754517 638947776 /nfs/dbraw/zinc/94/77/76/638947776.db2.gz CDEJZKJTFURHSQ-LEOMRAHMSA-N 1 1 284.403 3.390 20 30 CGEDMO C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@@H+](C)C[C@H](O)CC#N ZINC000929771257 638949302 /nfs/dbraw/zinc/94/93/02/638949302.db2.gz CKIVOLFERVDQSO-YWPYICTPSA-N 1 1 280.799 3.038 20 30 CGEDMO C[N@H+](CCCCC1(C#N)CCC1)Cc1nnc2ccccn21 ZINC000929803599 638952929 /nfs/dbraw/zinc/95/29/29/638952929.db2.gz KFALQHAEEVNKNJ-UHFFFAOYSA-N 1 1 297.406 3.025 20 30 CGEDMO C[N@@H+](CCCCC1(C#N)CCC1)Cc1nnc2ccccn21 ZINC000929803599 638952931 /nfs/dbraw/zinc/95/29/31/638952931.db2.gz KFALQHAEEVNKNJ-UHFFFAOYSA-N 1 1 297.406 3.025 20 30 CGEDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1cncc(C#N)c1 ZINC000929812481 638953711 /nfs/dbraw/zinc/95/37/11/638953711.db2.gz LGMQYBOCNLYVNK-KDOFPFPSSA-N 1 1 277.371 3.331 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[NH+]1CC(C(F)(F)F)C1 ZINC000930052031 638970848 /nfs/dbraw/zinc/97/08/48/638970848.db2.gz MSUNPTUNCOVVJJ-UHFFFAOYSA-N 1 1 268.282 3.169 20 30 CGEDMO C[N@@H+](Cc1cc(Cl)cc(C#N)c1)C1CCC(CO)CC1 ZINC000930054213 638970938 /nfs/dbraw/zinc/97/09/38/638970938.db2.gz NUCYGKRBDLPQHM-UHFFFAOYSA-N 1 1 292.810 3.195 20 30 CGEDMO C[C@H]1CC[N@@H+](CC2CCC(C#N)CC2)C[C@H]1n1ccnc1 ZINC000930055928 638971583 /nfs/dbraw/zinc/97/15/83/638971583.db2.gz UHGAXLOWUWSRGM-ZGRYLRDCSA-N 1 1 286.423 3.096 20 30 CGEDMO CC[C@]1(C)COCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000930123159 638976394 /nfs/dbraw/zinc/97/63/94/638976394.db2.gz AIQZYYCKFPEREB-OAHLLOKOSA-N 1 1 264.413 3.351 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)[C@@H](C)[C@@H](C)O1 ZINC000930251009 638986076 /nfs/dbraw/zinc/98/60/76/638986076.db2.gz HYCQMDQDJHOYIY-QLFBSQMISA-N 1 1 264.413 3.348 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@H]1CCC2(COC2)O1 ZINC000930274187 638987746 /nfs/dbraw/zinc/98/77/46/638987746.db2.gz VNFUSWSALLGCGP-QGZVFWFLSA-N 1 1 287.403 3.013 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000930364246 638993126 /nfs/dbraw/zinc/99/31/26/638993126.db2.gz FNKPKDXBNXDOQG-ZWKOTPCHSA-N 1 1 284.403 3.319 20 30 CGEDMO N#CC1CCC(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)CC1 ZINC000930612947 639038567 /nfs/dbraw/zinc/03/85/67/639038567.db2.gz YVNGOKREQOFADT-ILEACXBISA-N 1 1 290.451 3.332 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000930623822 639040127 /nfs/dbraw/zinc/04/01/27/639040127.db2.gz VALPPPMRCSRDQT-BHIYHBOVSA-N 1 1 298.430 3.301 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2c(C)cc(C#N)cc2C)CC1(C)C ZINC000930640017 639043872 /nfs/dbraw/zinc/04/38/72/639043872.db2.gz SZQMJNFWVAHTBJ-QGZVFWFLSA-N 1 1 286.419 3.422 20 30 CGEDMO CCOC[C@@H]1CCCC[N@H+]1CC1CCC(C#N)CC1 ZINC000930697870 639055509 /nfs/dbraw/zinc/05/55/09/639055509.db2.gz TWOJHOPRBWYAIU-GPANFISMSA-N 1 1 264.413 3.207 20 30 CGEDMO N#CC1CCC(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)CC1 ZINC000930715354 639058110 /nfs/dbraw/zinc/05/81/10/639058110.db2.gz PZPSUWBVHOKHRC-UQVLAFNGSA-N 1 1 284.403 3.124 20 30 CGEDMO N#CC1(CCCC[N@@H+]2CCC[C@@H](CCO)CC2)CCC1 ZINC000930753845 639064631 /nfs/dbraw/zinc/06/46/31/639064631.db2.gz IYLZYRXNGSTZHW-MRXNPFEDSA-N 1 1 278.440 3.335 20 30 CGEDMO C[N@@H+](CC1CCC(C#N)CC1)C[C@]1(O)CCc2ccccc21 ZINC000930812926 639071545 /nfs/dbraw/zinc/07/15/45/639071545.db2.gz VXDKDAFKSZDKSA-LADRWXRNSA-N 1 1 298.430 3.082 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@H+]2CCC23CCCC3)cc1 ZINC000930846390 639075058 /nfs/dbraw/zinc/07/50/58/639075058.db2.gz SSYJNKDJBPERCV-UHFFFAOYSA-N 1 1 282.387 3.015 20 30 CGEDMO CC[N@@H+](Cc1c(C)cc(C#N)cc1C)[C@H]1CCCOC1 ZINC000930852261 639076319 /nfs/dbraw/zinc/07/63/19/639076319.db2.gz IPEBWMGWMLJXIH-INIZCTEOSA-N 1 1 272.392 3.176 20 30 CGEDMO C[C@@H](CO)[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000930966971 639091419 /nfs/dbraw/zinc/09/14/19/639091419.db2.gz SFKAENDBIPKUFS-BLLLJJGKSA-N 1 1 292.810 3.195 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(N2CCOCC2)cc1)C(C)(C)C ZINC000931017193 639098775 /nfs/dbraw/zinc/09/87/75/639098775.db2.gz NDXIYFTZPHMKGW-UHFFFAOYSA-N 1 1 288.435 3.310 20 30 CGEDMO N#CC1CCC(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)CC1 ZINC000931062558 639105554 /nfs/dbraw/zinc/10/55/54/639105554.db2.gz PYGCEVHTOOUDMR-LEOMRAHMSA-N 1 1 284.403 3.470 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1ccnc(F)c1 ZINC000859239073 639117415 /nfs/dbraw/zinc/11/74/15/639117415.db2.gz AKYUXUVZEZECIO-UHFFFAOYSA-N 1 1 260.312 3.044 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](C[C@@H]2CN(C3CCCCC3)C(=O)O2)C1 ZINC000859445933 639143190 /nfs/dbraw/zinc/14/31/90/639143190.db2.gz RQPUHGQOOAUSOS-GOEBONIOSA-N 1 1 292.423 3.038 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2cnc(Cl)c(F)c2)C1 ZINC000859445291 639143278 /nfs/dbraw/zinc/14/32/78/639143278.db2.gz DXUSIWGTTUDHNC-JTQLQIEISA-N 1 1 254.736 3.272 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cnc(Cl)c(F)c2)C1 ZINC000859445291 639143281 /nfs/dbraw/zinc/14/32/81/639143281.db2.gz DXUSIWGTTUDHNC-JTQLQIEISA-N 1 1 254.736 3.272 20 30 CGEDMO CCn1nc(C)c(C[N@@H+](C)CC2CCC(C#N)CC2)c1C ZINC000931379919 639143747 /nfs/dbraw/zinc/14/37/47/639143747.db2.gz LWAYLALQDHQPAS-UHFFFAOYSA-N 1 1 288.439 3.282 20 30 CGEDMO C=C(C)CC[N@@H+]1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000931389787 639144169 /nfs/dbraw/zinc/14/41/69/639144169.db2.gz QPIDMLUMCMTYCC-KRWDZBQOSA-N 1 1 285.366 3.463 20 30 CGEDMO C=C(C)CC[N@H+]1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000931389787 639144173 /nfs/dbraw/zinc/14/41/73/639144173.db2.gz QPIDMLUMCMTYCC-KRWDZBQOSA-N 1 1 285.366 3.463 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC000859586252 639169280 /nfs/dbraw/zinc/16/92/80/639169280.db2.gz KUIIZPIZOQXTIZ-SFHVURJKSA-N 1 1 286.419 3.300 20 30 CGEDMO N#CC1CCC(C[N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)CC1 ZINC000931644085 639182988 /nfs/dbraw/zinc/18/29/88/639182988.db2.gz CKNLRROFENMIOQ-VHZYLWGESA-N 1 1 295.430 3.279 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](c2ccn(C)n2)C1 ZINC000932137432 639272086 /nfs/dbraw/zinc/27/20/86/639272086.db2.gz VVTAQHLDIAUVMB-OAHLLOKOSA-N 1 1 261.413 3.346 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000932190523 639291405 /nfs/dbraw/zinc/29/14/05/639291405.db2.gz NFPNSWPLIVUBJP-LBPRGKRZSA-N 1 1 262.422 3.387 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000932201941 639296317 /nfs/dbraw/zinc/29/63/17/639296317.db2.gz WQQNJXAABGJJIP-ZDUSSCGKSA-N 1 1 250.411 3.364 20 30 CGEDMO C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCOCCC#N ZINC000932276962 639312438 /nfs/dbraw/zinc/31/24/38/639312438.db2.gz ZAYIKRVGSCOHRW-RDJZCZTQSA-N 1 1 272.392 3.185 20 30 CGEDMO C#CC[N@@H+](Cc1cncc(Br)c1)C(C)(C)C ZINC000932463706 639336105 /nfs/dbraw/zinc/33/61/05/639336105.db2.gz MBGWWLXPSFIFQM-UHFFFAOYSA-N 1 1 281.197 3.078 20 30 CGEDMO C#CC[N@H+](Cc1cc(=O)oc2cc(OC)ccc12)C(C)(C)C ZINC000932465763 639337614 /nfs/dbraw/zinc/33/76/14/639337614.db2.gz YGJXSYAWNRJWKX-UHFFFAOYSA-N 1 1 299.370 3.035 20 30 CGEDMO CC1(C)C[C@@H](c2ccccc2)C[N@H+]1CCOCCC#N ZINC000932906240 639398693 /nfs/dbraw/zinc/39/86/93/639398693.db2.gz VNMPLZHXOUVHPI-MRXNPFEDSA-N 1 1 272.392 3.185 20 30 CGEDMO C[C@H](c1ncccn1)[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000933606926 639468578 /nfs/dbraw/zinc/46/85/78/639468578.db2.gz MJCZQLGKDUHLLQ-CQSZACIVSA-N 1 1 292.386 3.289 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1ccc(C#N)cc1Br ZINC000934461027 639611991 /nfs/dbraw/zinc/61/19/91/639611991.db2.gz OTUJKUXRPRSVGE-CYBMUJFWSA-N 1 1 291.192 3.471 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000934461027 639611995 /nfs/dbraw/zinc/61/19/95/639611995.db2.gz OTUJKUXRPRSVGE-CYBMUJFWSA-N 1 1 291.192 3.471 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC000934465055 639613555 /nfs/dbraw/zinc/61/35/55/639613555.db2.gz CABAVQSTKBNLQT-HIFRSBDPSA-N 1 1 288.391 3.063 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1CCC(=O)Nc1ccccc1Cl ZINC000934472016 639615183 /nfs/dbraw/zinc/61/51/83/639615183.db2.gz YHIBSNZNTJOWFI-GFCCVEGCSA-N 1 1 278.783 3.319 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1ccc(-n2ccnc2)nc1 ZINC000934646532 639647962 /nfs/dbraw/zinc/64/79/62/639647962.db2.gz LRRVGIQSJNMEIU-UHFFFAOYSA-N 1 1 270.380 3.055 20 30 CGEDMO C=CCCC[N@@H+](CC)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000934645826 639648819 /nfs/dbraw/zinc/64/88/19/639648819.db2.gz FGQVUIWKVUCXEM-INIZCTEOSA-N 1 1 286.375 3.060 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000934645826 639648826 /nfs/dbraw/zinc/64/88/26/639648826.db2.gz FGQVUIWKVUCXEM-INIZCTEOSA-N 1 1 286.375 3.060 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000934647502 639649082 /nfs/dbraw/zinc/64/90/82/639649082.db2.gz PWOYXZJDYXXODY-UHFFFAOYSA-N 1 1 273.336 3.255 20 30 CGEDMO C=CCCC[N@@H+](CC)Cc1nc(C(C)(C)C)no1 ZINC000934651344 639650161 /nfs/dbraw/zinc/65/01/61/639650161.db2.gz QGFJDGGKYZXVTQ-UHFFFAOYSA-N 1 1 251.374 3.155 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1nc(C(C)(C)C)no1 ZINC000934651344 639650169 /nfs/dbraw/zinc/65/01/69/639650169.db2.gz QGFJDGGKYZXVTQ-UHFFFAOYSA-N 1 1 251.374 3.155 20 30 CGEDMO N#Cc1cc(F)ccc1C[NH2+][C@H](c1ccncc1)C1CC1 ZINC000934690785 639658029 /nfs/dbraw/zinc/65/80/29/639658029.db2.gz CTNOKBGZOKMTMZ-KRWDZBQOSA-N 1 1 281.334 3.333 20 30 CGEDMO CCOc1ccc(CC[N@@H+](C)CCCSCC#N)cc1 ZINC000934726261 639668065 /nfs/dbraw/zinc/66/80/65/639668065.db2.gz IZOCPVOQQXDBPH-UHFFFAOYSA-N 1 1 292.448 3.206 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000934885558 639701804 /nfs/dbraw/zinc/70/18/04/639701804.db2.gz MXLBWICSYPGFQL-RDJZCZTQSA-N 1 1 299.418 3.278 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000076738036 640212661 /nfs/dbraw/zinc/21/26/61/640212661.db2.gz QEYDINGXXOUUSF-UHFFFAOYSA-N 1 1 287.359 3.205 20 30 CGEDMO CCCCCCCCC[NH+]1CCN(C[C@@H]2CCOC2)CC1 ZINC000192059752 640347383 /nfs/dbraw/zinc/34/73/83/640347383.db2.gz UOHNCINKJYLHPT-SFHVURJKSA-N 1 1 296.499 3.391 20 30 CGEDMO CC(C)[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000079342177 640394694 /nfs/dbraw/zinc/39/46/94/640394694.db2.gz FSTCLQFKTBRSOO-WMZOPIPTSA-N 1 1 286.419 3.350 20 30 CGEDMO CCCCCCCCC[N@H+]1CCN(C[C@@H](C)O)C[C@@H]1C ZINC000192809570 640407917 /nfs/dbraw/zinc/40/79/17/640407917.db2.gz HRKTWQJASFSJEE-DLBZAZTESA-N 1 1 284.488 3.124 20 30 CGEDMO CCCCCCCCCN1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000192809570 640407919 /nfs/dbraw/zinc/40/79/19/640407919.db2.gz HRKTWQJASFSJEE-DLBZAZTESA-N 1 1 284.488 3.124 20 30 CGEDMO CCCCCCCCCN1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000192809570 640407927 /nfs/dbraw/zinc/40/79/27/640407927.db2.gz HRKTWQJASFSJEE-DLBZAZTESA-N 1 1 284.488 3.124 20 30 CGEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCC=CO1 ZINC000193815759 640496624 /nfs/dbraw/zinc/49/66/24/640496624.db2.gz NLVSZLKHSWICJW-MRXNPFEDSA-N 1 1 288.347 3.276 20 30 CGEDMO C=C(Br)C[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000245880734 640645209 /nfs/dbraw/zinc/64/52/09/640645209.db2.gz KCIZDDTUUVVPKY-GHMZBOCLSA-N 1 1 276.243 3.255 20 30 CGEDMO C=C(Br)C[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000245880734 640645215 /nfs/dbraw/zinc/64/52/15/640645215.db2.gz KCIZDDTUUVVPKY-GHMZBOCLSA-N 1 1 276.243 3.255 20 30 CGEDMO CC(C)C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000245974387 640650396 /nfs/dbraw/zinc/65/03/96/640650396.db2.gz GAIXMORKLSSUCD-FUHWJXTLSA-N 1 1 286.419 3.350 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](C)[C@H]2C)cc1 ZINC000246096452 640657024 /nfs/dbraw/zinc/65/70/24/640657024.db2.gz IYQWBDUZWULPMK-BFHYXJOUSA-N 1 1 258.365 3.208 20 30 CGEDMO CCCCCCCC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247458173 640723137 /nfs/dbraw/zinc/72/31/37/640723137.db2.gz QUIVUCXERXVLPR-GJZGRUSLSA-N 1 1 268.445 3.288 20 30 CGEDMO CCCCCCCC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247458179 640723148 /nfs/dbraw/zinc/72/31/48/640723148.db2.gz QUIVUCXERXVLPR-LSDHHAIUSA-N 1 1 268.445 3.288 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001007331001 640940762 /nfs/dbraw/zinc/94/07/62/640940762.db2.gz IIPLHQNNFYHLEL-HOTGVXAUSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001007397868 640942088 /nfs/dbraw/zinc/94/20/88/640942088.db2.gz VXVTXBDARYSKGH-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)C2CCC3(CC3)CC2)C1 ZINC001007973427 640945197 /nfs/dbraw/zinc/94/51/97/640945197.db2.gz RYQOUNUHMSUFLD-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001008451899 640950863 /nfs/dbraw/zinc/95/08/63/640950863.db2.gz UTMLICZAWCKWGP-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001009604896 640960038 /nfs/dbraw/zinc/96/00/38/640960038.db2.gz UPUUETNBCMFSLL-AEFFLSMTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001009672769 640962102 /nfs/dbraw/zinc/96/21/02/640962102.db2.gz NRGITDKSSBBNLF-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)C2CCCCCCC2)C1 ZINC001015218327 640978377 /nfs/dbraw/zinc/97/83/77/640978377.db2.gz GGFCLIOBEAOFKP-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C(C)C)oc2C)C1 ZINC001015925720 640988107 /nfs/dbraw/zinc/98/81/07/640988107.db2.gz CACPFHVLAWUGOP-CQSZACIVSA-N 1 1 290.407 3.092 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001015903184 640988753 /nfs/dbraw/zinc/98/87/53/640988753.db2.gz VSENKGCSGNBFQJ-ULQDDVLXSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2sccc2C(C)C)C1 ZINC001016319945 640995523 /nfs/dbraw/zinc/99/55/23/640995523.db2.gz GEKFJCHCPIYPBD-CYBMUJFWSA-N 1 1 292.448 3.252 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@]2(C)CCC(C)=C(C)C2)C1 ZINC001016370968 640996515 /nfs/dbraw/zinc/99/65/15/640996515.db2.gz GKJSHUZAMHOPHA-AEFFLSMTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC001017201310 641009681 /nfs/dbraw/zinc/00/96/81/641009681.db2.gz HCJKNTZZBJIFRS-WMZOPIPTSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H](C)C1 ZINC001018024206 641019819 /nfs/dbraw/zinc/01/98/19/641019819.db2.gz PYSUNMOPQIZLBU-VVLHAWIVSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCC(C)(C)CC1 ZINC001018323746 641022125 /nfs/dbraw/zinc/02/21/25/641022125.db2.gz ODOIICGIJOPWSB-IYBDPMFKSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCC(C)(C)CC1 ZINC001018323746 641022130 /nfs/dbraw/zinc/02/21/30/641022130.db2.gz ODOIICGIJOPWSB-IYBDPMFKSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[NH+]1CCN(c2nccc3c(Cl)cccc32)CC1 ZINC001165031798 721866447 /nfs/dbraw/zinc/86/64/47/721866447.db2.gz WHRIWYDBYSPEMH-UHFFFAOYSA-N 1 1 287.794 3.196 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)C1CCCCC1 ZINC001155801917 805612417 /nfs/dbraw/zinc/61/24/17/805612417.db2.gz BHQGAVISTDHJDL-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)C1(F)CCCCC1 ZINC001156188971 805664017 /nfs/dbraw/zinc/66/40/17/805664017.db2.gz YEVWAGRZGRIWTI-OAHLLOKOSA-N 1 1 298.446 3.452 20 30 CGEDMO N#Cc1c[nH]c2cc[nH+]c(NCCSCc3ccco3)c12 ZINC001156191022 805664551 /nfs/dbraw/zinc/66/45/51/805664551.db2.gz JMRBLJXEPMCCPS-UHFFFAOYSA-N 1 1 298.371 3.373 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@H](CC)CC(C)C ZINC001156253748 805668309 /nfs/dbraw/zinc/66/83/09/805668309.db2.gz IJAZZIPEJVHEMW-HZPDHXFCSA-N 1 1 282.472 3.461 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C(C1CC1)C1CC1 ZINC001156277283 805669879 /nfs/dbraw/zinc/66/98/79/805669879.db2.gz REWLXBNGMIIAQF-GFCCVEGCSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C(C1CC1)C1CC1 ZINC001156277283 805669883 /nfs/dbraw/zinc/66/98/83/805669883.db2.gz REWLXBNGMIIAQF-GFCCVEGCSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1ccccc1Cl ZINC001156548875 805714166 /nfs/dbraw/zinc/71/41/66/805714166.db2.gz NAUFHIGZULASQH-CYBMUJFWSA-N 1 1 294.826 3.356 20 30 CGEDMO N#Cc1ccc(F)c(-c2cccc(C[NH+]3CCOCC3)c2)c1 ZINC001250632866 805739304 /nfs/dbraw/zinc/73/93/04/805739304.db2.gz OKAYUZSABJYEFV-UHFFFAOYSA-N 1 1 296.345 3.197 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)C1(CC)CCCCC1 ZINC001157052907 805770887 /nfs/dbraw/zinc/77/08/87/805770887.db2.gz HGCZRMUNUPZBQI-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1sccc1CC ZINC001157074733 805772566 /nfs/dbraw/zinc/77/25/66/805772566.db2.gz FLODHPOCRSBYJG-CYBMUJFWSA-N 1 1 294.464 3.327 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C1CCCC1 ZINC001157416005 805808776 /nfs/dbraw/zinc/80/87/76/805808776.db2.gz AEEVHTMPAKUDEW-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO CCCCCCC[N@@H+](C)C[C@H]1CCCCN1C(C)=O ZINC001157407707 805808980 /nfs/dbraw/zinc/80/89/80/805808980.db2.gz CRCGAQDTURBKOO-MRXNPFEDSA-N 1 1 268.445 3.290 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)/C(C)=C\C ZINC001157784035 805869451 /nfs/dbraw/zinc/86/94/51/805869451.db2.gz IJJSILJELRSGHG-OBHDYHNASA-N 1 1 278.440 3.232 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC1(C)C ZINC001157818010 805878345 /nfs/dbraw/zinc/87/83/45/805878345.db2.gz DHKXNXJBDVPMRI-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)CCCC ZINC001157902047 805900778 /nfs/dbraw/zinc/90/07/78/805900778.db2.gz FBWZBKUSABRAOC-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC(=C)Cl ZINC001158018558 805916139 /nfs/dbraw/zinc/91/61/39/805916139.db2.gz BQTYDLUTIZSFHE-OAHLLOKOSA-N 1 1 298.858 3.408 20 30 CGEDMO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)CC(=C)Cl ZINC001158018558 805916146 /nfs/dbraw/zinc/91/61/46/805916146.db2.gz BQTYDLUTIZSFHE-OAHLLOKOSA-N 1 1 298.858 3.408 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](F)CC ZINC001158328838 805938327 /nfs/dbraw/zinc/93/83/27/805938327.db2.gz BPBIXKBYZLKTTE-CABCVRRESA-N 1 1 284.419 3.014 20 30 CGEDMO CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCC(C)C ZINC001158518360 805962248 /nfs/dbraw/zinc/96/22/48/805962248.db2.gz IDGBLDYYZYDYII-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO CC[N@H+]1CCN(c2cc(C#N)c3ccccc3n2)C(C)(C)C1 ZINC001158561604 805966753 /nfs/dbraw/zinc/96/67/53/805966753.db2.gz HVNCFTDWYNQEPO-UHFFFAOYSA-N 1 1 294.402 3.027 20 30 CGEDMO C=CCOC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC001252064096 805980534 /nfs/dbraw/zinc/98/05/34/805980534.db2.gz YMJWPRHICWFCBF-MRXNPFEDSA-N 1 1 273.376 3.079 20 30 CGEDMO C=CCOC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC001252064096 805980539 /nfs/dbraw/zinc/98/05/39/805980539.db2.gz YMJWPRHICWFCBF-MRXNPFEDSA-N 1 1 273.376 3.079 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CC[C@@H](C)[C@H](O)CC1 ZINC001252124599 806012362 /nfs/dbraw/zinc/01/23/62/806012362.db2.gz SDNAWLWKBHPKLR-IXDOHACOSA-N 1 1 285.472 3.191 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCCC[C@](C)(O)C1 ZINC001252124339 806013918 /nfs/dbraw/zinc/01/39/18/806013918.db2.gz QSPWUJAPGZGTMN-SJORKVTESA-N 1 1 285.472 3.335 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@H]2CN(C)C[C@H]21 ZINC001252130420 806014513 /nfs/dbraw/zinc/01/45/13/806014513.db2.gz PZPMANZQEVDNEI-OKZBNKHCSA-N 1 1 296.499 3.124 20 30 CGEDMO CCCCCCCC[C@H](O)CN1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC001252130420 806014525 /nfs/dbraw/zinc/01/45/25/806014525.db2.gz PZPMANZQEVDNEI-OKZBNKHCSA-N 1 1 296.499 3.124 20 30 CGEDMO CCCCCCCC[C@H](O)CN1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001252130420 806014535 /nfs/dbraw/zinc/01/45/35/806014535.db2.gz PZPMANZQEVDNEI-OKZBNKHCSA-N 1 1 296.499 3.124 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCOCC1(C)C ZINC001252130047 806015141 /nfs/dbraw/zinc/01/51/41/806015141.db2.gz JNLJHLBASDHNQX-OAHLLOKOSA-N 1 1 271.445 3.209 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@H]1CN(C)C ZINC001252130165 806016037 /nfs/dbraw/zinc/01/60/37/806016037.db2.gz MMIFDUGNELIZRW-IRXDYDNUSA-N 1 1 284.488 3.124 20 30 CGEDMO CCCCCCCC[C@H](O)CN1CCC[C@H]1C[NH+](C)C ZINC001252130165 806016047 /nfs/dbraw/zinc/01/60/47/806016047.db2.gz MMIFDUGNELIZRW-IRXDYDNUSA-N 1 1 284.488 3.124 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1C[C@H]2CCCN(C)[C@@H]2C1 ZINC001252132301 806017786 /nfs/dbraw/zinc/01/77/86/806017786.db2.gz FBWDZAQGBSEGCZ-FGTMMUONSA-N 1 1 296.499 3.124 20 30 CGEDMO C=C[C@](C)(O)C[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC001252541764 806059059 /nfs/dbraw/zinc/05/90/59/806059059.db2.gz SJPCYGLNNRABOA-ZDUSSCGKSA-N 1 1 274.191 3.362 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)c2ccsc2)CC1 ZINC001159218231 806060828 /nfs/dbraw/zinc/06/08/28/806060828.db2.gz XBTFXXUZVRSNNI-UHFFFAOYSA-N 1 1 290.432 3.076 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC001252556766 806063544 /nfs/dbraw/zinc/06/35/44/806063544.db2.gz DSMXZWWFMRZZDM-IRXDYDNUSA-N 1 1 259.393 3.193 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC001252557086 806063898 /nfs/dbraw/zinc/06/38/98/806063898.db2.gz HJCNUKIVHVEXCY-CQSZACIVSA-N 1 1 285.309 3.001 20 30 CGEDMO C=CCCC(=O)NCCC1=CC[N@@H+](CCC(=C)C)CC1 ZINC001159543866 806119973 /nfs/dbraw/zinc/11/99/73/806119973.db2.gz DAKPPQGLMXWYEZ-UHFFFAOYSA-N 1 1 276.424 3.057 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[NH2+]C[C@@H]1CCN(C)C1 ZINC001252983333 806146976 /nfs/dbraw/zinc/14/69/76/806146976.db2.gz VEJXPIYZIRCYPN-ROUUACIJSA-N 1 1 298.515 3.419 20 30 CGEDMO C=C(C)C[N@H+](CC)C[C@@H](O)COC[C@H](CC)CCCC ZINC001253006703 806152901 /nfs/dbraw/zinc/15/29/01/806152901.db2.gz LSENPICNGKIQGA-IAGOWNOFSA-N 1 1 285.472 3.478 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CCNC(=O)C=C2CCC2)CC1 ZINC001159781302 806172064 /nfs/dbraw/zinc/17/20/64/806172064.db2.gz UIUSVIHVTNPRGA-UHFFFAOYSA-N 1 1 288.435 3.201 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001253228655 806184445 /nfs/dbraw/zinc/18/44/45/806184445.db2.gz VTYGAUNYMCXYCM-OKZBNKHCSA-N 1 1 295.467 3.375 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCN2CCCC[C@@H]2C1 ZINC001253239570 806190776 /nfs/dbraw/zinc/19/07/76/806190776.db2.gz NXFDZYUIZXPIIW-QZTJIDSGSA-N 1 1 294.483 3.044 20 30 CGEDMO C=CCCCCCC[C@@H](O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001253239570 806190781 /nfs/dbraw/zinc/19/07/81/806190781.db2.gz NXFDZYUIZXPIIW-QZTJIDSGSA-N 1 1 294.483 3.044 20 30 CGEDMO C=CCCCCCC[C@@H](O)CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC001253239570 806190784 /nfs/dbraw/zinc/19/07/84/806190784.db2.gz NXFDZYUIZXPIIW-QZTJIDSGSA-N 1 1 294.483 3.044 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[NH+]1CCC(N2CCC2)CC1 ZINC001253240792 806191992 /nfs/dbraw/zinc/19/19/92/806191992.db2.gz AAASJGIDCDIVSY-GOSISDBHSA-N 1 1 294.483 3.044 20 30 CGEDMO C=CCCCCCC[C@@H](O)CN1CCC([N@H+](C)CC)CC1 ZINC001253243533 806194353 /nfs/dbraw/zinc/19/43/53/806194353.db2.gz WYLWGKUJHAWGAW-GOSISDBHSA-N 1 1 296.499 3.290 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)C(C)=C2CCC2)CC1 ZINC001160068797 806220476 /nfs/dbraw/zinc/22/04/76/806220476.db2.gz BVNWFNXEKYXCLJ-UHFFFAOYSA-N 1 1 288.435 3.201 20 30 CGEDMO CCCCCCC[N@@H+](C)C[C@H](O)COC(C)(C)C ZINC001253452935 806220797 /nfs/dbraw/zinc/22/07/97/806220797.db2.gz RIEOIMNBNYCCCF-AWEZNQCLSA-N 1 1 259.434 3.065 20 30 CGEDMO N#Cc1c[nH]c2cc[nH+]c(N[C@H]3COCc4ccccc43)c12 ZINC001160119608 806224388 /nfs/dbraw/zinc/22/43/88/806224388.db2.gz HESQMDYFUFPYEQ-HNNXBMFYSA-N 1 1 290.326 3.118 20 30 CGEDMO C=CC(C)(C)CCNC(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC001253519612 806231529 /nfs/dbraw/zinc/23/15/29/806231529.db2.gz MYWKAPYOLUCSSU-UHFFFAOYSA-N 1 1 295.471 3.010 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)[C@@]2(C)CC=CCC2)CC1 ZINC001160253443 806242652 /nfs/dbraw/zinc/24/26/52/806242652.db2.gz SUXQXTAEKHCAPT-SFHVURJKSA-N 1 1 288.435 3.057 20 30 CGEDMO C=C(C)CCC(=O)NCCC1=CC[N@@H+](CCCC)CC1 ZINC001160264089 806244996 /nfs/dbraw/zinc/24/49/96/806244996.db2.gz CMOLRYGOPKIGAY-UHFFFAOYSA-N 1 1 278.440 3.281 20 30 CGEDMO CCCc1cc(NCCOc2ccc(C#N)cc2)nc(C)[nH+]1 ZINC001160283336 806249489 /nfs/dbraw/zinc/24/94/89/806249489.db2.gz POMJAUULAGJRLT-UHFFFAOYSA-N 1 1 296.374 3.100 20 30 CGEDMO C=C[C@@H](O)C[N@@H+](CCc1ccccc1)Cc1ccccc1 ZINC001253585670 806265040 /nfs/dbraw/zinc/26/50/40/806265040.db2.gz YJDXQAVOFSEJBG-LJQANCHMSA-N 1 1 281.399 3.278 20 30 CGEDMO C=C[C@H](O)C[N@H+](CC)Cc1ccc(C(F)(F)F)cc1 ZINC001253586724 806265385 /nfs/dbraw/zinc/26/53/85/806265385.db2.gz QROINYHMSFAQCS-ZDUSSCGKSA-N 1 1 273.298 3.074 20 30 CGEDMO Cc1[nH+]c(NC2CC3(C2)CC(F)(F)C3)ccc1CC#N ZINC001160590867 806288095 /nfs/dbraw/zinc/28/80/95/806288095.db2.gz AHWGDFZLUAKGPH-UHFFFAOYSA-N 1 1 277.318 3.446 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2C)CC1 ZINC001160937402 806326549 /nfs/dbraw/zinc/32/65/49/806326549.db2.gz DBSJNVIAOQFZHJ-HLLBOEOZSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NCCC1=CC[N@@H+](CC(C)C)CC1 ZINC001160967430 806330081 /nfs/dbraw/zinc/33/00/81/806330081.db2.gz ISUKITLPXNNTNQ-INIZCTEOSA-N 1 1 292.467 3.383 20 30 CGEDMO C#CCOc1ccccc1C[N@H+](C)[C@@H]1CC[C@@H](SC)C1 ZINC001254018737 806330355 /nfs/dbraw/zinc/33/03/55/806330355.db2.gz OTCCHCVHGMSTSX-HZPDHXFCSA-N 1 1 289.444 3.415 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)CC(=C)C)CC1 ZINC001160990636 806332721 /nfs/dbraw/zinc/33/27/21/806332721.db2.gz DQEAFWQEVXTOSK-INIZCTEOSA-N 1 1 290.451 3.303 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC001161172300 806355174 /nfs/dbraw/zinc/35/51/74/806355174.db2.gz CQCKQXXAVQKWIP-IAGOWNOFSA-N 1 1 290.451 3.137 20 30 CGEDMO CC[C@@H](Nc1[nH+]c(C)ccc1CC#N)C(F)(F)F ZINC001161382716 806372664 /nfs/dbraw/zinc/37/26/64/806372664.db2.gz OQXGXMMEBZVGOU-SNVBAGLBSA-N 1 1 257.259 3.209 20 30 CGEDMO CCCC[NH+](CCCC)CCN[C@H]1CC[C@H](C#N)C1 ZINC001254636371 806467065 /nfs/dbraw/zinc/46/70/65/806467065.db2.gz KBRWUDKQMNGMFL-HOTGVXAUSA-N 1 1 265.445 3.170 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+](Cc2cccnc2)Cc2ccccn2)C1 ZINC001254663428 806478355 /nfs/dbraw/zinc/47/83/55/806478355.db2.gz BOEVCHAFXJZPAK-QAPCUYQASA-N 1 1 292.386 3.171 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@@H+](Cc2cccnc2)Cc2ccccn2)C1 ZINC001254663428 806478360 /nfs/dbraw/zinc/47/83/60/806478360.db2.gz BOEVCHAFXJZPAK-QAPCUYQASA-N 1 1 292.386 3.171 20 30 CGEDMO CC[N@@H+]([C@H]1CC[C@H](C#N)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001254670380 806481128 /nfs/dbraw/zinc/48/11/28/806481128.db2.gz JAVFMNOFQWTBKR-FHWLQOOXSA-N 1 1 297.446 3.275 20 30 CGEDMO CCN([C@H]1CC[C@H](C#N)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001254670380 806481131 /nfs/dbraw/zinc/48/11/31/806481131.db2.gz JAVFMNOFQWTBKR-FHWLQOOXSA-N 1 1 297.446 3.275 20 30 CGEDMO CCN([C@H]1CC[C@H](C#N)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001254670380 806481138 /nfs/dbraw/zinc/48/11/38/806481138.db2.gz JAVFMNOFQWTBKR-FHWLQOOXSA-N 1 1 297.446 3.275 20 30 CGEDMO N#C[C@@H]1CC[C@H](n2ccc(C[NH2+]Cc3ccccc3)n2)C1 ZINC001254677264 806484975 /nfs/dbraw/zinc/48/49/75/806484975.db2.gz RPAUQMZSTUYUHR-WBVHZDCISA-N 1 1 280.375 3.038 20 30 CGEDMO CN1CCC([N@@H+](C2CCCC2)[C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254680763 806485072 /nfs/dbraw/zinc/48/50/72/806485072.db2.gz ZWAJHBMKMAGIMB-PBHICJAKSA-N 1 1 275.440 3.017 20 30 CGEDMO C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@H]1CC2CCN(CC2)C1 ZINC001254859561 806501216 /nfs/dbraw/zinc/50/12/16/806501216.db2.gz FNGPJKGDBAFGBN-AZUAARDMSA-N 1 1 294.442 3.093 20 30 CGEDMO C#CCN([C@@H]1CCc2ccccc21)[C@H]1CC2CC[NH+](CC2)C1 ZINC001254859561 806501224 /nfs/dbraw/zinc/50/12/24/806501224.db2.gz FNGPJKGDBAFGBN-AZUAARDMSA-N 1 1 294.442 3.093 20 30 CGEDMO CC[C@@H](CC#N)[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2OCC1CC1 ZINC001255169797 806565407 /nfs/dbraw/zinc/56/54/07/806565407.db2.gz KKYZJAKQFFECPJ-LTIDMASMSA-N 1 1 276.424 3.206 20 30 CGEDMO CCOC(=O)CC[N@H+](Cc1ccccc1)[C@@H](CC)CC#N ZINC001255166740 806565414 /nfs/dbraw/zinc/56/54/14/806565414.db2.gz PWIDVVZWTZXUIU-INIZCTEOSA-N 1 1 288.391 3.134 20 30 CGEDMO CCOC(=O)CC[N@@H+](Cc1ccccc1)[C@@H](CC)CC#N ZINC001255166740 806565422 /nfs/dbraw/zinc/56/54/22/806565422.db2.gz PWIDVVZWTZXUIU-INIZCTEOSA-N 1 1 288.391 3.134 20 30 CGEDMO CC[C@@H](CC#N)[NH+]1CCC(Oc2ccccc2C#N)CC1 ZINC001255173459 806566799 /nfs/dbraw/zinc/56/67/99/806566799.db2.gz AQWDHJDVNUFQKQ-HNNXBMFYSA-N 1 1 283.375 3.094 20 30 CGEDMO CC[C@H](CC#N)[NH+]1CCC(Oc2cccc(Cl)n2)CC1 ZINC001255175267 806568769 /nfs/dbraw/zinc/56/87/69/806568769.db2.gz OCPMNJSAXHZXPO-GFCCVEGCSA-N 1 1 293.798 3.270 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OCC ZINC001255211683 806577410 /nfs/dbraw/zinc/57/74/10/806577410.db2.gz USIFRJWOLNRWCF-QDMKHBRRSA-N 1 1 280.412 3.036 20 30 CGEDMO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1[C@H](C)CCCC ZINC001255328878 806615012 /nfs/dbraw/zinc/61/50/12/806615012.db2.gz NKDFQIFALRCTJW-ZBFHGGJFSA-N 1 1 291.439 3.101 20 30 CGEDMO C#C[C@](C)(CC)[NH2+][C@H]1CCCN(Cc2ccccc2)CC1 ZINC001255393809 806632953 /nfs/dbraw/zinc/63/29/53/806632953.db2.gz RKDJKZWTBUNUFK-RBUKOAKNSA-N 1 1 284.447 3.433 20 30 CGEDMO C=C(C)C[NH2+][C@@H]1CCCN(Cc2ccccc2)CC1 ZINC001255383931 806630644 /nfs/dbraw/zinc/63/06/44/806630644.db2.gz QBAFXUNHJRWGEZ-QGZVFWFLSA-N 1 1 258.409 3.207 20 30 CGEDMO CC[C@@H]([NH2+]CC(C)(C)C#N)c1cccc([N+](=O)[O-])c1 ZINC000122236669 798990566 /nfs/dbraw/zinc/99/05/66/798990566.db2.gz GPFZDALQRHELRT-CYBMUJFWSA-N 1 1 261.325 3.185 20 30 CGEDMO C#CC[N@@H+](C)CCCNCc1c(Cl)oc2ccccc21 ZINC000381435139 799379491 /nfs/dbraw/zinc/37/94/91/799379491.db2.gz VKYSTJIVBGOZBL-UHFFFAOYSA-N 1 1 290.794 3.131 20 30 CGEDMO C#CCN(C)CCC[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000381435139 799379496 /nfs/dbraw/zinc/37/94/96/799379496.db2.gz VKYSTJIVBGOZBL-UHFFFAOYSA-N 1 1 290.794 3.131 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](Nc2cc(C#N)cc(Cl)n2)[C@@H](C)C1 ZINC001163358598 806746267 /nfs/dbraw/zinc/74/62/67/806746267.db2.gz VFMPHNLGTIXDMO-WCQYABFASA-N 1 1 292.814 3.137 20 30 CGEDMO C[N@H+]1CCN(c2cccc(F)c2C#N)CC12CCCCC2 ZINC001163335294 806742158 /nfs/dbraw/zinc/74/21/58/806742158.db2.gz VADIVPIWDCNRDI-UHFFFAOYSA-N 1 1 287.382 3.152 20 30 CGEDMO CCCCCCC[C@H](C)[NH2+][C@H](C)c1ncn(C)n1 ZINC000391946117 799481354 /nfs/dbraw/zinc/48/13/54/799481354.db2.gz WJCVBXKXNAFZCB-QWHCGFSZSA-N 1 1 252.406 3.215 20 30 CGEDMO N#CCC1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000397146952 799514495 /nfs/dbraw/zinc/51/44/95/799514495.db2.gz KIYZGXUPNALMQS-UHFFFAOYSA-N 1 1 293.754 3.374 20 30 CGEDMO Oc1ccccc1/C=N\C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000588614999 799721293 /nfs/dbraw/zinc/72/12/93/799721293.db2.gz QPEPDESWRFVTTE-IZQLPPHKSA-N 1 1 294.398 3.333 20 30 CGEDMO CO[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000687213075 799736924 /nfs/dbraw/zinc/73/69/24/799736924.db2.gz SYINKKMRFYVEEE-RISCZKNCSA-N 1 1 278.783 3.211 20 30 CGEDMO Cc1ccc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)s1 ZINC000703232505 799920551 /nfs/dbraw/zinc/92/05/51/799920551.db2.gz DETZSKZHXSAFDP-INIZCTEOSA-N 1 1 286.400 3.094 20 30 CGEDMO C[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000708706547 799991925 /nfs/dbraw/zinc/99/19/25/799991925.db2.gz OEBOHHWJLVMNOM-CYBMUJFWSA-N 1 1 286.272 3.472 20 30 CGEDMO C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000708706547 799991931 /nfs/dbraw/zinc/99/19/31/799991931.db2.gz OEBOHHWJLVMNOM-CYBMUJFWSA-N 1 1 286.272 3.472 20 30 CGEDMO C[C@H](COCc1ccccc1)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000719608953 800246296 /nfs/dbraw/zinc/24/62/96/800246296.db2.gz HXHNCMKJOWNXLL-RDJZCZTQSA-N 1 1 272.392 3.075 20 30 CGEDMO C[C@@H]1[C@@H](Nc2ccc(C(F)(F)F)c(C#N)c2)CC[N@H+]1C ZINC000719626114 800247147 /nfs/dbraw/zinc/24/71/47/800247147.db2.gz QLHKOEPQRHYRJO-RNCFNFMXSA-N 1 1 283.297 3.082 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)Cc2ccc(OC)cc2)cc1 ZINC000809538719 800442894 /nfs/dbraw/zinc/44/28/94/800442894.db2.gz RZJSPPGWJBCAKQ-UHFFFAOYSA-N 1 1 265.356 3.309 20 30 CGEDMO C#Cc1ccc(C[NH+]2CCN(Cc3ccsc3)CC2)cc1 ZINC000809540721 800443317 /nfs/dbraw/zinc/44/33/17/800443317.db2.gz GKXYCDDATTYQLZ-UHFFFAOYSA-N 1 1 296.439 3.047 20 30 CGEDMO C#Cc1ccc(CN2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000809540721 800443318 /nfs/dbraw/zinc/44/33/18/800443318.db2.gz GKXYCDDATTYQLZ-UHFFFAOYSA-N 1 1 296.439 3.047 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000934459147 800678781 /nfs/dbraw/zinc/67/87/81/800678781.db2.gz ARWQVQIWJWOTIG-ZNMIVQPWSA-N 1 1 294.439 3.330 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1ccc(Oc2ccccc2)nn1 ZINC000934459864 800678923 /nfs/dbraw/zinc/67/89/23/800678923.db2.gz HPGRILSXRAVPIS-HNNXBMFYSA-N 1 1 281.359 3.419 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1ccc(Oc2ccccc2)nn1 ZINC000934459864 800678926 /nfs/dbraw/zinc/67/89/26/800678926.db2.gz HPGRILSXRAVPIS-HNNXBMFYSA-N 1 1 281.359 3.419 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](CNC(=O)C2CCCCCC2)C1 ZINC001023258693 800709073 /nfs/dbraw/zinc/70/90/73/800709073.db2.gz CDNYEWAKKBIEOH-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001023580508 800713676 /nfs/dbraw/zinc/71/36/76/800713676.db2.gz OBGBPFAVNHWCEV-RBSFLKMASA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001023580508 800713682 /nfs/dbraw/zinc/71/36/82/800713682.db2.gz OBGBPFAVNHWCEV-RBSFLKMASA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)C1CCCCC1 ZINC001024305870 800722645 /nfs/dbraw/zinc/72/26/45/800722645.db2.gz ZMEQCTHABSPJQB-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1csc(C)c1C ZINC001024457716 800727978 /nfs/dbraw/zinc/72/79/78/800727978.db2.gz PXTNMVMUTDYAGX-CQSZACIVSA-N 1 1 292.448 3.135 20 30 CGEDMO Cc1cc(NC[C@H]2CC[N@H+]2C2CCCCCC2)ncc1C#N ZINC001163942370 806855914 /nfs/dbraw/zinc/85/59/14/806855914.db2.gz VJZCTTRYSCKZEF-QGZVFWFLSA-N 1 1 298.434 3.471 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CCC ZINC001024641526 800733401 /nfs/dbraw/zinc/73/34/01/800733401.db2.gz KQJOWKPMPVVKLB-BRWVUGGUSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C(C)C)cc1 ZINC001024771432 800734958 /nfs/dbraw/zinc/73/49/58/800734958.db2.gz GVTPEOJMUSLWCH-SFHVURJKSA-N 1 1 298.430 3.028 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1CCC1 ZINC001025190362 800747500 /nfs/dbraw/zinc/74/75/00/800747500.db2.gz WKYYDCLXJIUAJN-SJORKVTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1CCC ZINC001025257636 800751507 /nfs/dbraw/zinc/75/15/07/800751507.db2.gz FHTGVKIHQWHCPX-JKSUJKDBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccsc2)C1 ZINC001025336178 800757549 /nfs/dbraw/zinc/75/75/49/800757549.db2.gz GVQXSPUDBOHPIC-KGLIPLIRSA-N 1 1 292.448 3.155 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)C2CCCC2)C1 ZINC001027647010 800807409 /nfs/dbraw/zinc/80/74/09/800807409.db2.gz KNUBDQZWLHAZPA-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1sccc1C ZINC001027726619 800818441 /nfs/dbraw/zinc/81/84/41/800818441.db2.gz TYLPLQDRWMIDJV-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001027902986 800826176 /nfs/dbraw/zinc/82/61/76/800826176.db2.gz AQEDQPPBXDFBIC-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1coc2c1cccc2C ZINC001027931901 800826653 /nfs/dbraw/zinc/82/66/53/800826653.db2.gz MWTDQQKDOLTDHM-AWEZNQCLSA-N 1 1 298.386 3.121 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1CC ZINC001028100688 800831513 /nfs/dbraw/zinc/83/15/13/800831513.db2.gz HHFMBEUZBPQLQP-MRXNPFEDSA-N 1 1 286.419 3.019 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CC=C(C)C)CC1 ZINC001028117983 800831942 /nfs/dbraw/zinc/83/19/42/800831942.db2.gz VGIUONKOORUEDE-KRWDZBQOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CC2CCC2)CC1 ZINC001028116974 800832111 /nfs/dbraw/zinc/83/21/11/800832111.db2.gz LMUWQLUUONKEKA-KRWDZBQOSA-N 1 1 290.451 3.114 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(C(C)C)c1 ZINC001028242821 800837419 /nfs/dbraw/zinc/83/74/19/800837419.db2.gz IYISQFWMYBINJR-GOSISDBHSA-N 1 1 298.430 3.028 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1CNC(=O)c1sccc1C1CC1 ZINC001028303408 800839430 /nfs/dbraw/zinc/83/94/30/800839430.db2.gz NIUZYDMITIHLQD-CYBMUJFWSA-N 1 1 290.432 3.006 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H]1CNC(=O)C12CCC(CC1)CC2 ZINC001028330362 800842859 /nfs/dbraw/zinc/84/28/59/800842859.db2.gz GHINCDABZYVCQN-UPTPFMHGSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccoc1C(C)C ZINC001028344933 800843970 /nfs/dbraw/zinc/84/39/70/800843970.db2.gz SGFNDEBNCYZJHZ-CQSZACIVSA-N 1 1 290.407 3.173 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCCC1(C)C ZINC001028340730 800844392 /nfs/dbraw/zinc/84/43/92/800844392.db2.gz WNWZFZRYFFEEML-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)C2=CCCCCC2)C1 ZINC001028502459 800847706 /nfs/dbraw/zinc/84/77/06/800847706.db2.gz XWHZKORABWZQRA-AWEZNQCLSA-N 1 1 296.842 3.068 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(C3CCC3)cc2)C1 ZINC001028579777 800849837 /nfs/dbraw/zinc/84/98/37/800849837.db2.gz IPXZQNOBSPGHLS-HNNXBMFYSA-N 1 1 298.430 3.192 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](CNC(=O)c2csc(Cl)c2)C1 ZINC001028847550 800855087 /nfs/dbraw/zinc/85/50/87/800855087.db2.gz KBYDMWLYXAHGQB-NSHDSACASA-N 1 1 298.839 3.029 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)C2CCC(C)(C)CC2)C1 ZINC001029007345 800857698 /nfs/dbraw/zinc/85/76/98/800857698.db2.gz XKLDSLGKHIPKOE-HNNXBMFYSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC=C(C)C ZINC001029454313 800868796 /nfs/dbraw/zinc/86/87/96/800868796.db2.gz YLKVLNIEMCZUQV-JZXOWHBKSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@H](C[N@@H+](C)CC2CCC2)C1 ZINC001029828540 800877025 /nfs/dbraw/zinc/87/70/25/800877025.db2.gz CPJWWHPFZRWNPF-AEFFLSMTSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](N(Cc2ccccc2)C(C)=O)C1 ZINC001029917580 800878113 /nfs/dbraw/zinc/87/81/13/800878113.db2.gz OLUWKSKTSJKJKS-GOSISDBHSA-N 1 1 286.419 3.076 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(C)(C)C1CC1 ZINC001032393391 800927432 /nfs/dbraw/zinc/92/74/32/800927432.db2.gz WBXIZZVRZPUUNN-HOTGVXAUSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C1CCCC1 ZINC001032450164 800928930 /nfs/dbraw/zinc/92/89/30/800928930.db2.gz GNQRURNQIVMBOW-HOTGVXAUSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@]2(C)CC=CCC2)C1 ZINC001033108132 800951919 /nfs/dbraw/zinc/95/19/19/800951919.db2.gz PUEMTOFSUKMBEW-AEFFLSMTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2sc(C)cc2C)C1 ZINC001033120073 800954057 /nfs/dbraw/zinc/95/40/57/800954057.db2.gz SOSBQNDLNQTHQM-CQSZACIVSA-N 1 1 292.448 3.087 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C)sc2C)C1 ZINC001033240164 800955328 /nfs/dbraw/zinc/95/53/28/800955328.db2.gz JJOIGTIECDQGNR-AWEZNQCLSA-N 1 1 292.448 3.087 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)C2(C)CCCCC2)C1 ZINC001033395342 800962810 /nfs/dbraw/zinc/96/28/10/800962810.db2.gz HQOMJMIUCMHKJM-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001033396768 800963933 /nfs/dbraw/zinc/96/39/33/800963933.db2.gz PAUMTKZMXDKXLN-SOLBZPMBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2csc(Cl)c2)C1 ZINC001033471854 800966170 /nfs/dbraw/zinc/96/61/70/800966170.db2.gz OLFXQRQYQXPAMJ-LBPRGKRZSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001033707111 800977386 /nfs/dbraw/zinc/97/73/86/800977386.db2.gz JTTLQVPCKIBWDI-CQSZACIVSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2oc(C)cc2C)C1 ZINC001033785057 800981833 /nfs/dbraw/zinc/98/18/33/800981833.db2.gz HBKGIRBRRYUSDO-HNNXBMFYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)C2CC(C)(C)C2)C1 ZINC001033821709 800986191 /nfs/dbraw/zinc/98/61/91/800986191.db2.gz VSOZZRLMYSYVDR-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)C2CCC3(CC3)CC2)C1 ZINC001033901031 800988167 /nfs/dbraw/zinc/98/81/67/800988167.db2.gz WURAGLANZAVISM-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC001033950706 800990512 /nfs/dbraw/zinc/99/05/12/800990512.db2.gz QXNDRXACUYIYKK-QGZVFWFLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2ccoc2Cl)C1 ZINC001034180290 801009040 /nfs/dbraw/zinc/00/90/40/801009040.db2.gz GUDHZLGHSGOOLX-GFCCVEGCSA-N 1 1 296.798 3.093 20 30 CGEDMO C#CC[N@@H+]1CCCC[C@H](NC(=O)c2ccccc2C(C)C)C1 ZINC001034234959 801012667 /nfs/dbraw/zinc/01/26/67/801012667.db2.gz PRYANUVMBQMXKQ-INIZCTEOSA-N 1 1 298.430 3.028 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@@H](NC(=O)C[C@H]2C=CCCC2)C1 ZINC001034265732 801014722 /nfs/dbraw/zinc/01/47/22/801014722.db2.gz LSORBXNCLOYBAP-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@]2(C)C=CCC2)C1 ZINC001034349744 801018020 /nfs/dbraw/zinc/01/80/20/801018020.db2.gz LJFFOQXNIGAMTK-GDBMZVCRSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@]2(C)C=CCC2)C1 ZINC001034349744 801018028 /nfs/dbraw/zinc/01/80/28/801018028.db2.gz LJFFOQXNIGAMTK-GDBMZVCRSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@]2(C)C=CCC2)C1 ZINC001034349745 801018654 /nfs/dbraw/zinc/01/86/54/801018654.db2.gz LJFFOQXNIGAMTK-GOEBONIOSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@]2(C)C=CCC2)C1 ZINC001034349745 801018656 /nfs/dbraw/zinc/01/86/56/801018656.db2.gz LJFFOQXNIGAMTK-GOEBONIOSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2occc2CC)C1 ZINC001034384608 801023107 /nfs/dbraw/zinc/02/31/07/801023107.db2.gz KLNGEUZWCDMSOH-HNNXBMFYSA-N 1 1 290.407 3.002 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001034477689 801028593 /nfs/dbraw/zinc/02/85/93/801028593.db2.gz PDHQQVIVOLZTFG-HOTGVXAUSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C)C(C)C)CC2 ZINC001035235807 801057303 /nfs/dbraw/zinc/05/73/03/801057303.db2.gz SWVGPJZEUZLKHO-INIZCTEOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)CCC3CCC3)CC[C@@H]21 ZINC001036679233 801088154 /nfs/dbraw/zinc/08/81/54/801088154.db2.gz DBTBWTUFIGQZLJ-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCC)C1 ZINC001036725992 801090151 /nfs/dbraw/zinc/09/01/51/801090151.db2.gz FYYFGRJLAIWOKU-KGLIPLIRSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCCC)C1 ZINC001036793787 801091135 /nfs/dbraw/zinc/09/11/35/801091135.db2.gz LEMQCCYJFATYBP-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)CC)CC[C@H]21 ZINC001036804418 801092164 /nfs/dbraw/zinc/09/21/64/801092164.db2.gz JEFCZACTOXJWOU-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(CC)CC)CC[C@H]21 ZINC001036901642 801094687 /nfs/dbraw/zinc/09/46/87/801094687.db2.gz XAGGEBLUGLDHFX-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO Cc1[nH+]c(N2CCC[C@H](F)C(F)(F)C2)ccc1CC#N ZINC001164065452 806885431 /nfs/dbraw/zinc/88/54/31/806885431.db2.gz ZECRWGSQTVUNFD-LBPRGKRZSA-N 1 1 283.297 3.030 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(CC)s1 ZINC001038490862 801127495 /nfs/dbraw/zinc/12/74/95/801127495.db2.gz DNZZGYYUBQDCTR-ZDUSSCGKSA-N 1 1 292.448 3.081 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(Cl)c1 ZINC001038945946 801138365 /nfs/dbraw/zinc/13/83/65/801138365.db2.gz WJTPTKZXBQMWHG-OAHLLOKOSA-N 1 1 292.810 3.110 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C(C)C)s1 ZINC001039056994 801144717 /nfs/dbraw/zinc/14/47/17/801144717.db2.gz NPQHILJYVHOQAR-CYBMUJFWSA-N 1 1 292.448 3.252 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C(C)C)s1 ZINC001039056994 801144721 /nfs/dbraw/zinc/14/47/21/801144721.db2.gz NPQHILJYVHOQAR-CYBMUJFWSA-N 1 1 292.448 3.252 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC([C@H]2CC[N@H+](CC)C2)CC1 ZINC001039149035 801150390 /nfs/dbraw/zinc/15/03/90/801150390.db2.gz BFQHEZHYRLURLD-INIZCTEOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC1(C)C ZINC001039420243 801161116 /nfs/dbraw/zinc/16/11/16/801161116.db2.gz KDFKPBJNZYUSCD-OWCLPIDISA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(C)(C)C ZINC001039415687 801161388 /nfs/dbraw/zinc/16/13/88/801161388.db2.gz QAADXOATGXUCLR-CABCVRRESA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)CC ZINC001039426367 801161561 /nfs/dbraw/zinc/16/15/61/801161561.db2.gz CIUJPGHZKUDXKU-CVEARBPZSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCF ZINC001039823384 801166920 /nfs/dbraw/zinc/16/69/20/801166920.db2.gz RBBZQQWDZZTHAI-GASCZTMLSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C(C)C ZINC001039609572 801167146 /nfs/dbraw/zinc/16/71/46/801167146.db2.gz ZFKMOULXMXUFGL-OKILXGFUSA-N 1 1 298.858 3.239 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(C)C ZINC001039897090 801168078 /nfs/dbraw/zinc/16/80/78/801168078.db2.gz UCJZIQAUYKSCQA-JZXOWHBKSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)C3CCCC3)C2)C1 ZINC001040035746 801170175 /nfs/dbraw/zinc/17/01/75/801170175.db2.gz UHRKFCWNENZVFL-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@](C)(C=C)CC)C2)C1 ZINC001040372386 801177408 /nfs/dbraw/zinc/17/74/08/801177408.db2.gz PLSOYJQIYUJOGO-QZTJIDSGSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccccc3C)C2)C1 ZINC001041033775 801184173 /nfs/dbraw/zinc/18/41/73/801184173.db2.gz RKUKGKUZTZZFED-IBGZPJMESA-N 1 1 298.430 3.109 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@]2(CC[N@H+](C[C@H](C)CC)C2)C1 ZINC001041541211 801189459 /nfs/dbraw/zinc/18/94/59/801189459.db2.gz VBMCCIPJTOAVJF-QAPCUYQASA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)C3(C)CCC3)C2)C1 ZINC001041550603 801190826 /nfs/dbraw/zinc/19/08/26/801190826.db2.gz SQWGSGILDZCSTI-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)C3(CC)CCC3)C2)C1 ZINC001041570148 801191163 /nfs/dbraw/zinc/19/11/63/801191163.db2.gz NVDSUPCRUZGNNF-QGZVFWFLSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)c3c(C)cccc3C)C2)C1 ZINC001041707928 801192304 /nfs/dbraw/zinc/19/23/04/801192304.db2.gz UVXHIXWYTAEENV-IBGZPJMESA-N 1 1 298.430 3.027 20 30 CGEDMO C[C@H](Cc1ccccn1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001256417049 806891259 /nfs/dbraw/zinc/89/12/59/806891259.db2.gz SDVMSLLLYRHPLJ-CQSZACIVSA-N 1 1 265.360 3.016 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)CC3CCCCC3)C[C@@H]21 ZINC001041926317 801197434 /nfs/dbraw/zinc/19/74/34/801197434.db2.gz RHQMFPTYDRYWIB-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3c(C)cccc3C)C[C@@H]21 ZINC001042243177 801203047 /nfs/dbraw/zinc/20/30/47/801203047.db2.gz PVLIEGQXLBYBHN-IRXDYDNUSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)CC)C[C@@H]21 ZINC001042208551 801203382 /nfs/dbraw/zinc/20/33/82/801203382.db2.gz SAQAKLVNDWVMDP-KGLIPLIRSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)CC)C[C@@H]21 ZINC001042208551 801203386 /nfs/dbraw/zinc/20/33/86/801203386.db2.gz SAQAKLVNDWVMDP-KGLIPLIRSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC[C@@H]3CC[N@H+](CCCC)[C@H]3C2)C1 ZINC001042224955 801203853 /nfs/dbraw/zinc/20/38/53/801203853.db2.gz TXCFMVVOKPPXPD-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C)cc3C)C[C@@H]21 ZINC001042344133 801205359 /nfs/dbraw/zinc/20/53/59/801205359.db2.gz SYSIINDOCUIGNI-AEFFLSMTSA-N 1 1 298.430 3.026 20 30 CGEDMO C=CCOC(=O)[C@H](CC(C)C)[NH2+]C1CCC(OCC)CC1 ZINC001256430887 806896096 /nfs/dbraw/zinc/89/60/96/806896096.db2.gz DLPWORYDSOSPPA-GPANFISMSA-N 1 1 297.439 3.068 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](F)CC)C2 ZINC001045958082 801295219 /nfs/dbraw/zinc/29/52/19/801295219.db2.gz KFDDAHONUXIHAP-DOTOQJQBSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001046338770 801310719 /nfs/dbraw/zinc/31/07/19/801310719.db2.gz BOGCHPYFYOLZSW-AEFFLSMTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCC23CC3)C1 ZINC001046420860 801311135 /nfs/dbraw/zinc/31/11/35/801311135.db2.gz LYWCAJIFCKASRC-RDJZCZTQSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(Cl)cs2)C1 ZINC001046674770 801320261 /nfs/dbraw/zinc/32/02/61/801320261.db2.gz BFFXHJDUEUMTRC-CQSZACIVSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2cc(Cl)cs2)C1 ZINC001046675807 801321209 /nfs/dbraw/zinc/32/12/09/801321209.db2.gz UCLXAJZRUXYZDB-AWEZNQCLSA-N 1 1 298.839 3.172 20 30 CGEDMO CC#CC[N@H+]1CC[C@](C)(NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001046794344 801326368 /nfs/dbraw/zinc/32/63/68/801326368.db2.gz RFVUSOUYUFAVSX-IBGZPJMESA-N 1 1 298.430 3.028 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)c2cc3ccccc3o2)C1 ZINC001046818068 801326467 /nfs/dbraw/zinc/32/64/67/801326467.db2.gz IDMSSEOQWKICGC-GOSISDBHSA-N 1 1 298.386 3.203 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)c2ccc(F)s2)C1 ZINC001046867472 801331157 /nfs/dbraw/zinc/33/11/57/801331157.db2.gz GVVRPWSSDQZWGI-OAHLLOKOSA-N 1 1 296.411 3.048 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC(C)(C)C ZINC001049327250 801364633 /nfs/dbraw/zinc/36/46/33/801364633.db2.gz NOULZFOCGNBVCC-HUUCEWRRSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(CC)CC ZINC001049321762 801365290 /nfs/dbraw/zinc/36/52/90/801365290.db2.gz JIXCYTDIYMCASU-CABCVRRESA-N 1 1 298.858 3.240 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(CC)CC ZINC001049321762 801365295 /nfs/dbraw/zinc/36/52/95/801365295.db2.gz JIXCYTDIYMCASU-CABCVRRESA-N 1 1 298.858 3.240 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C=C1CCCCC1 ZINC001049365629 801367021 /nfs/dbraw/zinc/36/70/21/801367021.db2.gz ZQXKUSNGNNYSQM-SJORKVTESA-N 1 1 288.435 3.128 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC1=CCCCC1 ZINC001049383678 801368116 /nfs/dbraw/zinc/36/81/16/801368116.db2.gz STEWDSKHCRSIBE-DLBZAZTESA-N 1 1 288.435 3.128 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC1CCC1 ZINC001049396409 801368794 /nfs/dbraw/zinc/36/87/94/801368794.db2.gz KYJCLDMTFKRWCE-IAGOWNOFSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC(C)(C)C1 ZINC001049454569 801372764 /nfs/dbraw/zinc/37/27/64/801372764.db2.gz QENFLVWSMYWGHH-JKSUJKDBSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)=C1CCC1 ZINC001049469492 801373550 /nfs/dbraw/zinc/37/35/50/801373550.db2.gz DBNSIRLXNSDMHE-IAGOWNOFSA-N 1 1 288.435 3.128 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)C1CCC1 ZINC001049551768 801375009 /nfs/dbraw/zinc/37/50/09/801375009.db2.gz QOMIDTGASFWNPR-DJIMGWMZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC ZINC001049639292 801379075 /nfs/dbraw/zinc/37/90/75/801379075.db2.gz OMCADGVHYUAXQG-HUUCEWRRSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC ZINC001049639284 801380230 /nfs/dbraw/zinc/38/02/30/801380230.db2.gz OMCADGVHYUAXQG-CABCVRRESA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCC1CC1 ZINC001049648589 801382896 /nfs/dbraw/zinc/38/28/96/801382896.db2.gz WWXNRWNIEOGHIS-HZPDHXFCSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1CCC ZINC001049702751 801386662 /nfs/dbraw/zinc/38/66/62/801386662.db2.gz NUAMDVUUWYGKFC-NCOADZHNSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(CC)cc1 ZINC001049875937 801390531 /nfs/dbraw/zinc/39/05/31/801390531.db2.gz NKRDVJXRHRSYKX-ZWKOTPCHSA-N 1 1 298.430 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)C ZINC001049858712 801391898 /nfs/dbraw/zinc/39/18/98/801391898.db2.gz POHJXOPIVGCFBY-CABCVRRESA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc(C)ccc3C)[C@@H]2C1 ZINC001050189801 801399399 /nfs/dbraw/zinc/39/93/99/801399399.db2.gz PLBNFAYZSKICBS-FUHWJXTLSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccc(Cl)o2)CC1 ZINC001052208525 801426440 /nfs/dbraw/zinc/42/64/40/801426440.db2.gz LBEGUYHWNXMSEE-LBPRGKRZSA-N 1 1 296.798 3.093 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)C2=CCCCCC2)CC1 ZINC001052334566 801430800 /nfs/dbraw/zinc/43/08/00/801430800.db2.gz BGIJMVOQZJKDFG-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@]2(C)C=CCC2)CC1 ZINC001052636191 801442828 /nfs/dbraw/zinc/44/28/28/801442828.db2.gz OYKIFNHQLLXREO-HOCLYGCPSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C2CCC(F)CC2)CC1 ZINC001052683386 801446918 /nfs/dbraw/zinc/44/69/18/801446918.db2.gz DSKNSHXYDXHVKO-GPANFISMSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C=C)cc2)CC1 ZINC001052735061 801449284 /nfs/dbraw/zinc/44/92/84/801449284.db2.gz FHOYHZRJUICSGY-GOSISDBHSA-N 1 1 298.430 3.490 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)C2CCCC2)CC1 ZINC001052859214 801453747 /nfs/dbraw/zinc/45/37/47/801453747.db2.gz JILYQEYMVUKBEF-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC23CCCC3)CC1 ZINC001052840125 801454306 /nfs/dbraw/zinc/45/43/06/801454306.db2.gz XMNOBWGYVWLOGU-HOTGVXAUSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C2CC2)C1 ZINC001053060011 801466166 /nfs/dbraw/zinc/46/61/66/801466166.db2.gz BQGLYWUQUCUYAE-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cccc(C)c1)C2 ZINC001054078294 801472329 /nfs/dbraw/zinc/47/23/29/801472329.db2.gz KJAPEVYJFPONEW-IBGZPJMESA-N 1 1 298.430 3.109 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC(C)(C)C)C2 ZINC001054088224 801473561 /nfs/dbraw/zinc/47/35/61/801473561.db2.gz RYDUVUKPAAGQBH-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@](C)(C=C)CC)C2 ZINC001054192036 801478121 /nfs/dbraw/zinc/47/81/21/801478121.db2.gz PXNKKDJGZRNCTN-ROUUACIJSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)C(C)C)C2 ZINC001054208032 801480242 /nfs/dbraw/zinc/48/02/42/801480242.db2.gz JPOCSQZWZLKUCP-SJLPKXTDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)C3CCCCC3)cc2C1 ZINC001054252629 801480907 /nfs/dbraw/zinc/48/09/07/801480907.db2.gz UJWKPJPVXMRABL-UHFFFAOYSA-N 1 1 298.430 3.385 20 30 CGEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)C3CCCCC3)cc2C1 ZINC001054252629 801480912 /nfs/dbraw/zinc/48/09/12/801480912.db2.gz UJWKPJPVXMRABL-UHFFFAOYSA-N 1 1 298.430 3.385 20 30 CGEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CC[C@H](C)C3)cc2C1 ZINC001054284925 801483922 /nfs/dbraw/zinc/48/39/22/801483922.db2.gz LGFDXKLZGPVCMQ-GOEBONIOSA-N 1 1 298.430 3.241 20 30 CGEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CC[C@H](C)C3)cc2C1 ZINC001054284925 801483927 /nfs/dbraw/zinc/48/39/27/801483927.db2.gz LGFDXKLZGPVCMQ-GOEBONIOSA-N 1 1 298.430 3.241 20 30 CGEDMO C=CCC[N@@H+]1Cc2ccc(CNC(=O)C3CC(C)C3)cc2C1 ZINC001054261281 801484944 /nfs/dbraw/zinc/48/49/44/801484944.db2.gz WVKNVJFCNLVFTH-UHFFFAOYSA-N 1 1 298.430 3.241 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2sccc2C)CC[C@H]1C ZINC001071297610 801522382 /nfs/dbraw/zinc/52/23/82/801522382.db2.gz URLKRGWDJQTRNK-ZIAGYGMSSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2sccc2C)CC[C@@H]1C ZINC001071297607 801522461 /nfs/dbraw/zinc/52/24/61/801522461.db2.gz URLKRGWDJQTRNK-KBPBESRZSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(C)s2)CC[C@@H]1C ZINC001071300159 801523370 /nfs/dbraw/zinc/52/33/70/801523370.db2.gz QLUPEZZTBOSYDF-JSGCOSHPSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C2CCCCC2)CC[C@@H]1C ZINC001071322632 801527994 /nfs/dbraw/zinc/52/79/94/801527994.db2.gz XUOQSVNXSQLGRF-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2coc(C)c2)CC[C@H]1C ZINC001071459172 801535748 /nfs/dbraw/zinc/53/57/48/801535748.db2.gz AWYZRGVBLXDTTL-CJNGLKHVSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cc(C)c(C)o2)CC[C@H]1C ZINC001071431720 801536220 /nfs/dbraw/zinc/53/62/20/801536220.db2.gz UXZKIPACUZTMSJ-HIFRSBDPSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2sc(C)cc2C)CC[C@@H]1C ZINC001071536664 801542942 /nfs/dbraw/zinc/54/29/42/801542942.db2.gz LSSBGVWIBJLJRQ-JSGCOSHPSA-N 1 1 292.448 3.134 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)CC2CC(C)(C)C2)CC[C@H]1C ZINC001071763239 801550296 /nfs/dbraw/zinc/55/02/96/801550296.db2.gz UGULXHBPTZPSPI-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CCCF)C2)CC1 ZINC001071794787 801552093 /nfs/dbraw/zinc/55/20/93/801552093.db2.gz FPHIQIXQMVLNMX-GDBMZVCRSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2(C)CC(=C)C2)CC[C@@H]1C ZINC001071807802 801553907 /nfs/dbraw/zinc/55/39/07/801553907.db2.gz WRTXBRPKPFXROJ-HOTGVXAUSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2ccc(CC)cc2)CC[C@@H]1C ZINC001072041234 801561521 /nfs/dbraw/zinc/56/15/21/801561521.db2.gz VNKRTGWZEHNSRJ-YOEHRIQHSA-N 1 1 286.419 3.018 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2cc(C)c(C)s2)CC[C@H]1C ZINC001072058346 801563609 /nfs/dbraw/zinc/56/36/09/801563609.db2.gz KRNDPBAUXFNQLX-TZMCWYRMSA-N 1 1 292.448 3.134 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2cccc(C3CC3)c2)CC[C@H]1C ZINC001072104704 801565899 /nfs/dbraw/zinc/56/58/99/801565899.db2.gz CVQPQXKTIDQABW-RDTXWAMCSA-N 1 1 298.430 3.333 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001080754433 801654373 /nfs/dbraw/zinc/65/43/73/801654373.db2.gz LQXSMYASWHSCTN-HLLBOEOZSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001080818467 801656777 /nfs/dbraw/zinc/65/67/77/801656777.db2.gz KZHWQIIQCVNTQG-QBPKDAKJSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2C2CCC2)C1 ZINC001080863607 801657724 /nfs/dbraw/zinc/65/77/24/801657724.db2.gz VMPCVYKEPJSZNL-RDTXWAMCSA-N 1 1 298.430 3.190 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccoc2C(C)C)C1 ZINC001081025982 801659424 /nfs/dbraw/zinc/65/94/24/801659424.db2.gz HKBIRZYLUWFMKM-UKRRQHHQSA-N 1 1 290.407 3.029 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC001081056377 801659862 /nfs/dbraw/zinc/65/98/62/801659862.db2.gz ZJNJCZPNFUACDW-OWCLPIDISA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C)c(C)c3)[C@@H]2C1 ZINC001084809369 801673014 /nfs/dbraw/zinc/67/30/14/801673014.db2.gz KQNYKONRWUMWBA-QZTJIDSGSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC=CCCC1 ZINC001085669455 801698051 /nfs/dbraw/zinc/69/80/51/801698051.db2.gz ZOVORHLERGKFQL-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(CC)s1 ZINC001085706247 801701221 /nfs/dbraw/zinc/70/12/21/801701221.db2.gz KLQWRIKGHWJNHC-ZDUSSCGKSA-N 1 1 292.448 3.033 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(CC)s1 ZINC001085706337 801701249 /nfs/dbraw/zinc/70/12/49/801701249.db2.gz NHSVDWGFVDWWLZ-ZDUSSCGKSA-N 1 1 292.448 3.033 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(CC)s1 ZINC001085706337 801701253 /nfs/dbraw/zinc/70/12/53/801701253.db2.gz NHSVDWGFVDWWLZ-ZDUSSCGKSA-N 1 1 292.448 3.033 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1CC(C)C ZINC001085828785 801708568 /nfs/dbraw/zinc/70/85/68/801708568.db2.gz DZLFABXNTULCMZ-IXDOHACOSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2(F)CCCC2)[C@H]1CC ZINC001087633185 801759037 /nfs/dbraw/zinc/75/90/37/801759037.db2.gz PTWWDQQMDIXSGX-LSDHHAIUSA-N 1 1 296.430 3.204 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(C)(C)C2)[C@H]1CC ZINC001087717242 801764554 /nfs/dbraw/zinc/76/45/54/801764554.db2.gz XMTBGYIUAWGKRR-HRCADAONSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2CCCCCC2)[C@H]1C ZINC001088487360 801796937 /nfs/dbraw/zinc/79/69/37/801796937.db2.gz XPKNBQSMRJZIPN-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)o2)[C@H]1C ZINC001088471284 801797582 /nfs/dbraw/zinc/79/75/82/801797582.db2.gz CZSVOBLQYAAHMO-NEPJUHHUSA-N 1 1 296.798 3.092 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2sccc2C2CC2)[C@H]1C ZINC001089021426 801818754 /nfs/dbraw/zinc/81/87/54/801818754.db2.gz OGTQMABOPIOGBK-RISCZKNCSA-N 1 1 290.432 3.004 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2CC=CC2)CC(C)(C)C1 ZINC001089348401 801832598 /nfs/dbraw/zinc/83/25/98/801832598.db2.gz RQGRZCATXDXTBC-INIZCTEOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2CC(C)C2)CC(C)(C)C1 ZINC001089358342 801834605 /nfs/dbraw/zinc/83/46/05/801834605.db2.gz VMVGOHLNDVFFRQ-UYSNPLJNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC2(C)C)CC(C)(C)C1 ZINC001089364287 801835470 /nfs/dbraw/zinc/83/54/70/801835470.db2.gz XYNVTWIXHGVYBS-LSDHHAIUSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C2(C)CCC2)CC(C)(C)C1 ZINC001089463940 801839310 /nfs/dbraw/zinc/83/93/10/801839310.db2.gz COSDAFWKCNZRKL-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC2(C)C)[C@H](C)C1 ZINC001092899455 801863781 /nfs/dbraw/zinc/86/37/81/801863781.db2.gz CEVGACDHSYDNAS-OAGGEKHMSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC=C(C)C)C1 ZINC001095983313 801888692 /nfs/dbraw/zinc/88/86/92/801888692.db2.gz WEHPWRBOGISNQX-PMPSAXMXSA-N 1 1 288.435 3.030 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)cc(C)c1)C2 ZINC001096426947 801891291 /nfs/dbraw/zinc/89/12/91/801891291.db2.gz FGPQTEYXYQEYBD-SQNIBIBYSA-N 1 1 298.430 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(C)C=CCC1)C2 ZINC001097664252 801901945 /nfs/dbraw/zinc/90/19/45/801901945.db2.gz HDLHBBISXWXMFC-CBZIJGRNSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC ZINC001098856298 801918791 /nfs/dbraw/zinc/91/87/91/801918791.db2.gz XZDBCKFOWHGHSZ-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)F ZINC001098856208 801918913 /nfs/dbraw/zinc/91/89/13/801918913.db2.gz VIAIWAXSNRSQIR-AWEZNQCLSA-N 1 1 298.446 3.308 20 30 CGEDMO C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC(C)(C)C ZINC001098910732 801920518 /nfs/dbraw/zinc/92/05/18/801920518.db2.gz NZASXMOHZMFCMN-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(CC)CC ZINC001098921917 801922873 /nfs/dbraw/zinc/92/28/73/801922873.db2.gz LTAZMZZHIXXKBI-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)CCC ZINC001098976513 801924810 /nfs/dbraw/zinc/92/48/10/801924810.db2.gz UNRWFQPMIZFPSW-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H](C)CC ZINC001099048857 801926601 /nfs/dbraw/zinc/92/66/01/801926601.db2.gz LIOJNCUTKUJXMN-CVEARBPZSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)C1CCC1 ZINC001099122350 801927754 /nfs/dbraw/zinc/92/77/54/801927754.db2.gz YOQRNZIKRMNJBR-GOEBONIOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC(CC=C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC ZINC001099092667 801928384 /nfs/dbraw/zinc/92/83/84/801928384.db2.gz ICJZWSUQINEZCS-INIZCTEOSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)C=C ZINC001099170300 801930764 /nfs/dbraw/zinc/93/07/64/801930764.db2.gz GHOPVCIMGNSLIH-OAHLLOKOSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1(C)CCC1 ZINC001099175085 801931712 /nfs/dbraw/zinc/93/17/12/801931712.db2.gz DTJZALPRHQTGRX-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)CC ZINC001099207307 801933514 /nfs/dbraw/zinc/93/35/14/801933514.db2.gz AMTXNPHLKKXGRG-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCF ZINC001099194206 801934145 /nfs/dbraw/zinc/93/41/45/801934145.db2.gz LXJXAJIKOFDQQV-GJZGRUSLSA-N 1 1 298.446 3.165 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCF ZINC001099194206 801934151 /nfs/dbraw/zinc/93/41/51/801934151.db2.gz LXJXAJIKOFDQQV-GJZGRUSLSA-N 1 1 298.446 3.165 20 30 CGEDMO C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](CC)CCC ZINC001099286466 801936640 /nfs/dbraw/zinc/93/66/40/801936640.db2.gz YCZFCPIOWSVVSU-JKSUJKDBSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC1(C)CC1 ZINC001099291321 801936795 /nfs/dbraw/zinc/93/67/95/801936795.db2.gz HFJBXQVKTAXWBD-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC[C@H](C)CC ZINC001099280832 801936951 /nfs/dbraw/zinc/93/69/51/801936951.db2.gz MGDDLHONKMXAGF-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CCC(=O)N1C[C@H]2C[N@H+](CC=C(C)C)C[C@@]2(C)C1 ZINC001101253761 801976659 /nfs/dbraw/zinc/97/66/59/801976659.db2.gz VEXSUTIHALQRBT-AEFFLSMTSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)CC(C)C)[C@H](C)C1 ZINC001101691050 801985816 /nfs/dbraw/zinc/98/58/16/801985816.db2.gz CZFHHVOCFDRNAZ-IAGOWNOFSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)C(CC)CC)[C@H](C)C1 ZINC001101745503 801990526 /nfs/dbraw/zinc/99/05/26/801990526.db2.gz PZRJRYXUUMUJRV-GDBMZVCRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1C[N@H+](CC2=CCCCC2)C[C@H]1C ZINC001101805467 801992076 /nfs/dbraw/zinc/99/20/76/801992076.db2.gz RDFPQGAJBSIVIE-NVXWUHKLSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](CNC(=O)CCC2CCC2)[C@H](C)C1 ZINC001101860744 801993250 /nfs/dbraw/zinc/99/32/50/801993250.db2.gz QYZFDVVNGYPEEN-NVXWUHKLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NC[C@@H]1C[N@@H+](CC=C(C)C)C[C@H]1C ZINC001102261313 802001523 /nfs/dbraw/zinc/00/15/23/802001523.db2.gz VLNCMKSGFCLOMA-GVDBMIGSSA-N 1 1 292.467 3.239 20 30 CGEDMO C=CCCCC(=O)NCC[C@@H]1C[N@H+](CCC2CC2)C[C@H]1C ZINC001103383023 802032617 /nfs/dbraw/zinc/03/26/17/802032617.db2.gz ZWXDBUBETWDSQV-NVXWUHKLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCCC(=O)NCC[C@@H]1C[N@H+](CCCC=C)C[C@H]1C ZINC001103382640 802032633 /nfs/dbraw/zinc/03/26/33/802032633.db2.gz PJVGRSSHQMOCLJ-IAGOWNOFSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC2(C)C)C1 ZINC001103350277 802033777 /nfs/dbraw/zinc/03/37/77/802033777.db2.gz MVLNHGZDNCCJFB-BZUAXINKSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)/C(C)=C/CC)CCC[C@@H]12 ZINC001107311090 802086252 /nfs/dbraw/zinc/08/62/52/802086252.db2.gz AGTANJPDFFINGC-ZBLGUCLMSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCF)CC2 ZINC001107424448 802087529 /nfs/dbraw/zinc/08/75/29/802087529.db2.gz OPGHMHQECODVEC-NVXWUHKLSA-N 1 1 296.430 3.063 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(C)C)C2 ZINC001108883256 802103082 /nfs/dbraw/zinc/10/30/82/802103082.db2.gz NYLOSASBVOYJQK-WCVJEAGWSA-N 1 1 278.440 3.109 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC(C)C)C2 ZINC001108918940 802103476 /nfs/dbraw/zinc/10/34/76/802103476.db2.gz MKQITQQVATYAKG-PMPSAXMXSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(C)(C)C)C2 ZINC001108936457 802103796 /nfs/dbraw/zinc/10/37/96/802103796.db2.gz IJBXYTLIOSQVAT-WCVJEAGWSA-N 1 1 292.467 3.499 20 30 CGEDMO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C)cc1 ZINC001109046471 802106530 /nfs/dbraw/zinc/10/65/30/802106530.db2.gz QINYTGLTIYIQQQ-SQNIBIBYSA-N 1 1 298.430 3.183 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CCCC)C2 ZINC001109231809 802112651 /nfs/dbraw/zinc/11/26/51/802112651.db2.gz YBZLGVRSCBETJP-WCVJEAGWSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C)CC1)C2 ZINC001109311435 802112812 /nfs/dbraw/zinc/11/28/12/802112812.db2.gz QZIOXAUFRNXNAT-PMPSAXMXSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1 ZINC001109633345 802120948 /nfs/dbraw/zinc/12/09/48/802120948.db2.gz YCQJRKXWBSNEAA-SIXLDLHFSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC/C=C\CC ZINC001109657462 802121773 /nfs/dbraw/zinc/12/17/73/802121773.db2.gz QIICHYUKZPTTSW-DHCMRDOJSA-N 1 1 290.451 3.421 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@](C)(C=C)CC)C2 ZINC001109679039 802122140 /nfs/dbraw/zinc/12/21/40/802122140.db2.gz PVMCWXGUTUNHOA-MUQADHOPSA-N 1 1 290.451 3.276 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(=C)C ZINC001109769509 802124290 /nfs/dbraw/zinc/12/42/90/802124290.db2.gz GPROVILGKMRQDD-PMPSAXMXSA-N 1 1 290.451 3.276 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CC(C)(C)C)C2 ZINC001109804603 802125567 /nfs/dbraw/zinc/12/55/67/802125567.db2.gz VWCODURXPWJYQQ-WCVJEAGWSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC)c1ccccc1 ZINC001110131215 802131043 /nfs/dbraw/zinc/13/10/43/802131043.db2.gz XLHQHOOFUPOWFR-BDXSIMOUSA-N 1 1 298.430 3.088 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC)CCCCC1 ZINC001110135583 802132460 /nfs/dbraw/zinc/13/24/60/802132460.db2.gz KELBUIDWIIUTNE-PMPSAXMXSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCCC ZINC001110379024 802138155 /nfs/dbraw/zinc/13/81/55/802138155.db2.gz SCIGIIYFBTVGNO-OAGGEKHMSA-N 1 1 278.440 3.254 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)/C=C/C(C)(C)C)C2 ZINC001110400360 802140057 /nfs/dbraw/zinc/14/00/57/802140057.db2.gz MMMYYDNPKCJALI-SSOCVUBWSA-N 1 1 290.451 3.276 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(C)C ZINC001110933315 802150013 /nfs/dbraw/zinc/15/00/13/802150013.db2.gz JKEZHGZQIOLZSO-VQHPVUNQSA-N 1 1 290.451 3.276 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1 ZINC001110932926 802150505 /nfs/dbraw/zinc/15/05/05/802150505.db2.gz DBXVZAALJINIMF-SVGFKBNWSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)CC(C)C)C2 ZINC001111255860 802159099 /nfs/dbraw/zinc/15/90/99/802159099.db2.gz HBKHXLPZBXWMOC-OAGGEKHMSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CCCC)C(C)C)C2 ZINC001111468801 802161559 /nfs/dbraw/zinc/16/15/59/802161559.db2.gz QAHRJDSGDSJHOM-TWMKSMIVSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC=C(C)C)C2 ZINC001111857130 802170801 /nfs/dbraw/zinc/17/08/01/802170801.db2.gz WUZDCILVVRZZRU-WMZOPIPTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H](C)CC)C1 ZINC001111912695 802172215 /nfs/dbraw/zinc/17/22/15/802172215.db2.gz PUYKHSYNMXGCAY-RYRKJORJSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[NH+](CCCCCF)CC1 ZINC001112885554 802193800 /nfs/dbraw/zinc/19/38/00/802193800.db2.gz FFQBIFSKNFOFDL-UHFFFAOYSA-N 1 1 296.430 3.039 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)[C@H](CCC)CC(C)C)CC1 ZINC001113702382 802232802 /nfs/dbraw/zinc/23/28/02/802232802.db2.gz YAINNPSCNXOVNK-MRXNPFEDSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3ccccc3C)C[C@H]21 ZINC001114010192 802236047 /nfs/dbraw/zinc/23/60/47/802236047.db2.gz WVFCEMJBDMTZSG-ITQYTPKQSA-N 1 1 298.430 3.069 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(CC)CC ZINC001113908365 802236656 /nfs/dbraw/zinc/23/66/56/802236656.db2.gz ZYCZZYJMJKCLNQ-FVQHAEBGSA-N 1 1 292.467 3.215 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)CCC ZINC001114079576 802237220 /nfs/dbraw/zinc/23/72/20/802237220.db2.gz KPQGFABPXNIFGZ-MWDXBVQZSA-N 1 1 294.483 3.439 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](CCCCC)C[C@H]21 ZINC001114326776 802240888 /nfs/dbraw/zinc/24/08/88/802240888.db2.gz WYLJTICJHIUFPZ-WDNDVIMCSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](CCCC(C)C)C[C@H]21 ZINC001114724109 802243500 /nfs/dbraw/zinc/24/35/00/802243500.db2.gz GPFQFYVGFPLYPH-MWDXBVQZSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1[C@H]2C[N@H+](CCCCCC)C[C@H]21 ZINC001114794693 802245621 /nfs/dbraw/zinc/24/56/21/802245621.db2.gz NMZNCMAHLPZDLG-MUQADHOPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CCC)C(C)C ZINC001114909592 802247265 /nfs/dbraw/zinc/24/72/65/802247265.db2.gz CYTMVCNLYBMYLR-MWDXBVQZSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)CCCCC ZINC001115272290 802255403 /nfs/dbraw/zinc/25/54/03/802255403.db2.gz YLNBONADRCRNAR-ZSHCYNCHSA-N 1 1 292.467 3.215 20 30 CGEDMO CCOCC[C@@H](C)[NH2+]CC(F)(F)C(F)(F)C(F)(F)F ZINC001172409628 808297511 /nfs/dbraw/zinc/29/75/11/808297511.db2.gz XYIYCRBJLFJKRS-SSDOTTSWSA-N 1 1 299.230 3.224 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)CCc1ccc(OC(F)(F)F)cc1 ZINC001116804610 802412633 /nfs/dbraw/zinc/41/26/33/802412633.db2.gz FMUHZBUPTWWFPG-LLVKDONJSA-N 1 1 271.282 3.081 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(-c2cnn(C)c2)cc1 ZINC001116862794 802420954 /nfs/dbraw/zinc/42/09/54/802420954.db2.gz FHEHADFNFHRQGT-UHFFFAOYSA-N 1 1 269.392 3.485 20 30 CGEDMO CSc1ccccc1C(C)=NNc1cc[nH+]cc1 ZINC001116909451 802427790 /nfs/dbraw/zinc/42/77/90/802427790.db2.gz VJBOHRSJNUOJJK-UHFFFAOYSA-N 1 1 257.362 3.062 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C)CC)C1 ZINC001270941555 808755195 /nfs/dbraw/zinc/75/51/95/808755195.db2.gz VLHYBIXMDQAAEP-RDJZCZTQSA-N 1 1 280.456 3.217 20 30 CGEDMO CC[N@H+]1CCC[C@@H](CNc2nc3ccccc3cc2C#N)C1 ZINC001118517426 802579321 /nfs/dbraw/zinc/57/93/21/802579321.db2.gz XDVHAECFNPEQLI-AWEZNQCLSA-N 1 1 294.402 3.250 20 30 CGEDMO Cn1cc(-c2ccc(C[N@H+]3CCC[C@H](CC#N)C3)cc2)cn1 ZINC001118650508 802592117 /nfs/dbraw/zinc/59/21/17/802592117.db2.gz OLBFINUNPLAUIW-OAHLLOKOSA-N 1 1 294.402 3.213 20 30 CGEDMO C#CC[C@@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC001118800965 802604773 /nfs/dbraw/zinc/60/47/73/802604773.db2.gz JIJNFNBCRBXVBG-DLBZAZTESA-N 1 1 270.420 3.213 20 30 CGEDMO C#CC[C@@H]([NH2+][C@H]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001118800965 802604785 /nfs/dbraw/zinc/60/47/85/802604785.db2.gz JIJNFNBCRBXVBG-DLBZAZTESA-N 1 1 270.420 3.213 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1csc(C(F)(F)F)c1)[C@H]1CCCO1 ZINC001118804263 802605754 /nfs/dbraw/zinc/60/57/54/802605754.db2.gz DZRRPVSSCDDIGO-GHMZBOCLSA-N 1 1 289.322 3.037 20 30 CGEDMO C[C@H](CCc1ccccc1)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC001119450520 802667302 /nfs/dbraw/zinc/66/73/02/802667302.db2.gz RVRBPPSMYCVIRR-KURKYZTESA-N 1 1 299.462 3.173 20 30 CGEDMO N#CC1(CCCC[N@H+]2CC[C@H]3OCCC[C@H]3C2)CCC1 ZINC001119684941 802691709 /nfs/dbraw/zinc/69/17/09/802691709.db2.gz JAGBQEISARQGJD-JKSUJKDBSA-N 1 1 276.424 3.351 20 30 CGEDMO C=CC[C@H]1[N@H+](C[C@@H](O)CCC2(O)CCC2)CCCC1(C)C ZINC001119770878 802698918 /nfs/dbraw/zinc/69/89/18/802698918.db2.gz DJYJYXBBAFUPAR-JKSUJKDBSA-N 1 1 295.467 3.109 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+]2CCF)C1 ZINC001120393490 802743564 /nfs/dbraw/zinc/74/35/64/802743564.db2.gz VPYKSDCSOKLDFM-HZPDHXFCSA-N 1 1 296.430 3.015 20 30 CGEDMO N#CC1(N[C@@H]2CCC[N@H+](C3CCCC3)C2)CCCCC1 ZINC001256899265 807003293 /nfs/dbraw/zinc/00/32/93/807003293.db2.gz DLSSMNCBRWQIAN-OAHLLOKOSA-N 1 1 275.440 3.209 20 30 CGEDMO C[Si](C)(C)C#Cc1ccnc(C2=C[NH2+]CCC2)c1 ZINC001243949522 803094575 /nfs/dbraw/zinc/09/45/75/803094575.db2.gz LBHVEIOYCZFPOC-UHFFFAOYSA-N 1 1 256.425 3.035 20 30 CGEDMO N#Cc1c(F)cccc1C[NH2+][C@H]1CCc2c1cccc2O ZINC001205999338 813159085 /nfs/dbraw/zinc/15/90/85/813159085.db2.gz WWWIIVBAPUYFIT-INIZCTEOSA-N 1 1 282.318 3.180 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H](NC(=O)CSC)CC[C@@H]1C ZINC001131807294 803346168 /nfs/dbraw/zinc/34/61/68/803346168.db2.gz AZIKKZNFGOSWDE-GJZGRUSLSA-N 1 1 298.496 3.065 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)CCCC)CC[C@H]1C ZINC001131813908 803347568 /nfs/dbraw/zinc/34/75/68/803347568.db2.gz RVJLMNVRZHTBHI-CABCVRRESA-N 1 1 266.429 3.112 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC2CCCC2)C1 ZINC001131895739 803355873 /nfs/dbraw/zinc/35/58/73/803355873.db2.gz LNFFBEAIFLIPBY-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccsc2)C1 ZINC001131894844 803356353 /nfs/dbraw/zinc/35/63/53/803356353.db2.gz CCHZVCPLAPXJFM-HIFRSBDPSA-N 1 1 292.448 3.183 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C(C)(C)C(=C)Cl)CC[C@H]1C ZINC001132079516 803373103 /nfs/dbraw/zinc/37/31/03/803373103.db2.gz ZSJUGUALUZWEMY-TZMCWYRMSA-N 1 1 298.858 3.310 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)C2(F)CCCC2)CC[C@@H]1C ZINC001132143931 803375094 /nfs/dbraw/zinc/37/50/94/803375094.db2.gz BMMFVBMCSQAGKH-GJZGRUSLSA-N 1 1 296.430 3.204 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC2CCC2)C1 ZINC001132221197 803379613 /nfs/dbraw/zinc/37/96/13/803379613.db2.gz DEKGFGHLVIVSBF-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCCCC)C1 ZINC001132227926 803381132 /nfs/dbraw/zinc/38/11/32/803381132.db2.gz JHDDZBKQMZUMCN-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C2(CC)CCC2)CC[C@H]1C ZINC001132244046 803385459 /nfs/dbraw/zinc/38/54/59/803385459.db2.gz FBYDRRUQCSDIAB-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)C2(CC)CCC2)CC[C@H]1C ZINC001132244048 803386002 /nfs/dbraw/zinc/38/60/02/803386002.db2.gz FBYDRRUQCSDIAB-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)C(CCC)CCC)CC[C@@H]1C ZINC001132244747 803387355 /nfs/dbraw/zinc/38/73/55/803387355.db2.gz KFZKFQGJJSDYNS-GOEBONIOSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@H+]1C[C@H](NC(=O)C2(CC)CC2)CC[C@H]1C ZINC001132287680 803391986 /nfs/dbraw/zinc/39/19/86/803391986.db2.gz IWMXZBHWPWPNBM-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](NC(=O)CC(CC)CC)CC[C@H]1C ZINC001132391534 803399082 /nfs/dbraw/zinc/39/90/82/803399082.db2.gz BEMJAFQKZMJVEJ-ZBFHGGJFSA-N 1 1 280.456 3.358 20 30 CGEDMO C#CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)CC(C)C)CC[C@@H]1C ZINC001132416148 803402665 /nfs/dbraw/zinc/40/26/65/803402665.db2.gz AOUMIVBBPSJVGI-HOTGVXAUSA-N 1 1 292.467 3.051 20 30 CGEDMO CCc1cc(-c2cc(-n3ccnc3)cc[nH+]2)ccc1C#N ZINC001244951783 803589437 /nfs/dbraw/zinc/58/94/37/803589437.db2.gz GYENFGYFBSFSKK-UHFFFAOYSA-N 1 1 274.327 3.368 20 30 CGEDMO Cc1ccc2c(C[N@@H+]3CCC[C@H](C#N)C3)c[nH]c2c1 ZINC001136974680 803666229 /nfs/dbraw/zinc/66/62/29/803666229.db2.gz ILWCFSYIPBNJJI-CYBMUJFWSA-N 1 1 253.349 3.212 20 30 CGEDMO Cc1ccc2c(C[N@H+]3CCC[C@H](C#N)C3)c[nH]c2c1 ZINC001136974680 803666233 /nfs/dbraw/zinc/66/62/33/803666233.db2.gz ILWCFSYIPBNJJI-CYBMUJFWSA-N 1 1 253.349 3.212 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1c[nH]c2c1cccc2F ZINC001137057656 803676770 /nfs/dbraw/zinc/67/67/70/803676770.db2.gz LGPLMAZGVZQPJO-UHFFFAOYSA-N 1 1 259.328 3.433 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1c[nH]c2c1cccc2F ZINC001137057656 803676773 /nfs/dbraw/zinc/67/67/73/803676773.db2.gz LGPLMAZGVZQPJO-UHFFFAOYSA-N 1 1 259.328 3.433 20 30 CGEDMO N#CCOc1ccc(C[N@@H+]2CCC[C@@H](C(F)F)C2)cc1 ZINC001137120565 803684923 /nfs/dbraw/zinc/68/49/23/803684923.db2.gz UKKYLZANJABYJE-CYBMUJFWSA-N 1 1 280.318 3.066 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc3cc(C)ccc3n2)C1 ZINC001137216905 803699302 /nfs/dbraw/zinc/69/93/02/803699302.db2.gz BGFRQXQNBMBTPY-HNNXBMFYSA-N 1 1 264.372 3.388 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]3C[C@H]32)c(Br)c1 ZINC001137639642 803748240 /nfs/dbraw/zinc/74/82/40/803748240.db2.gz FZTPVEBNWYGGNA-SMDDNHRTSA-N 1 1 291.192 3.305 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]3C[C@H]32)c(Br)c1 ZINC001137639642 803748249 /nfs/dbraw/zinc/74/82/49/803748249.db2.gz FZTPVEBNWYGGNA-SMDDNHRTSA-N 1 1 291.192 3.305 20 30 CGEDMO COc1ccc(C[N@@H+](C)CCc2ccc(F)cc2)c(C#N)c1 ZINC001137704917 803761443 /nfs/dbraw/zinc/76/14/43/803761443.db2.gz ZMSLAJAAZWRCKU-UHFFFAOYSA-N 1 1 298.361 3.380 20 30 CGEDMO Cc1ccc(C#N)c(-c2ccccc2C[NH+]2CCOCC2)c1 ZINC001245604479 803849815 /nfs/dbraw/zinc/84/98/15/803849815.db2.gz VVUHMVXIAOMPPU-UHFFFAOYSA-N 1 1 292.382 3.366 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC001138156702 803868041 /nfs/dbraw/zinc/86/80/41/803868041.db2.gz WUNQGPGHMUHCBG-GFCCVEGCSA-N 1 1 286.404 3.264 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)o2)C1 ZINC001138177098 803871680 /nfs/dbraw/zinc/87/16/80/803871680.db2.gz GFBJNBTUROHNRO-OAHLLOKOSA-N 1 1 272.392 3.115 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)cc1OC ZINC001138348454 803899085 /nfs/dbraw/zinc/89/90/85/803899085.db2.gz JWDNEGNPLNNTRM-DLBZAZTESA-N 1 1 299.414 3.472 20 30 CGEDMO COc1c(F)cc(C[N@@H+]2CCC[C@@H](C#N)CC2)cc1F ZINC001138425577 803930361 /nfs/dbraw/zinc/93/03/61/803930361.db2.gz YKUMGTHGVJVRQJ-LLVKDONJSA-N 1 1 280.318 3.099 20 30 CGEDMO COc1c(F)cc(C[N@H+]2CCC[C@@H](C#N)CC2)cc1F ZINC001138425577 803930367 /nfs/dbraw/zinc/93/03/67/803930367.db2.gz YKUMGTHGVJVRQJ-LLVKDONJSA-N 1 1 280.318 3.099 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1cc(C)c(OC)c(C)c1 ZINC001138431638 803934432 /nfs/dbraw/zinc/93/44/32/803934432.db2.gz ZZDBQRRAHPEFAY-UHFFFAOYSA-N 1 1 260.381 3.438 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1cc(C)c(OC)c(C)c1 ZINC001138431638 803934436 /nfs/dbraw/zinc/93/44/36/803934436.db2.gz ZZDBQRRAHPEFAY-UHFFFAOYSA-N 1 1 260.381 3.438 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CCC[C@]2(CCO2)C1 ZINC001138665744 803996855 /nfs/dbraw/zinc/99/68/55/803996855.db2.gz WISFCRPVWACQJR-SFHVURJKSA-N 1 1 287.403 3.396 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1C[C@@H]2CCCC(=O)[C@H]2C1 ZINC001138667427 803999165 /nfs/dbraw/zinc/99/91/65/803999165.db2.gz XCKLTLABFMEVHL-RDJZCZTQSA-N 1 1 299.414 3.443 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC001138666064 803999886 /nfs/dbraw/zinc/99/98/86/803999886.db2.gz HGFGWKVDJOUYMS-SFHVURJKSA-N 1 1 289.419 3.498 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CCO[C@H](C(C)C)C1 ZINC001138666064 803999893 /nfs/dbraw/zinc/99/98/93/803999893.db2.gz HGFGWKVDJOUYMS-SFHVURJKSA-N 1 1 289.419 3.498 20 30 CGEDMO COc1ccc(C[N@H+](C)CCC#N)c2c(OC)cccc12 ZINC001138749595 804028515 /nfs/dbraw/zinc/02/85/15/804028515.db2.gz GHKYGMKAUKSPHA-UHFFFAOYSA-N 1 1 284.359 3.202 20 30 CGEDMO COc1ccc(C[N@@H+](C)CCC#N)c2c(OC)cccc12 ZINC001138749595 804028523 /nfs/dbraw/zinc/02/85/23/804028523.db2.gz GHKYGMKAUKSPHA-UHFFFAOYSA-N 1 1 284.359 3.202 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccnn1[C@@H]1CCCCO1 ZINC001138781909 804036917 /nfs/dbraw/zinc/03/69/17/804036917.db2.gz BYTKOAXXWRYBOD-INIZCTEOSA-N 1 1 277.412 3.370 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(OCCO)cc1 ZINC001138796638 804041829 /nfs/dbraw/zinc/04/18/29/804041829.db2.gz MKCGDHDHTFJRRW-UHFFFAOYSA-N 1 1 297.398 3.246 20 30 CGEDMO O=C1C=C2C[N@@H+](Cc3ccc4occc4c3)CC[C@H]2S1 ZINC001138823509 804049145 /nfs/dbraw/zinc/04/91/45/804049145.db2.gz GXHMHDNHCNEPDA-OAHLLOKOSA-N 1 1 285.368 3.207 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3ccc4occc4c3)CC[C@H]2S1 ZINC001138823509 804049149 /nfs/dbraw/zinc/04/91/49/804049149.db2.gz GXHMHDNHCNEPDA-OAHLLOKOSA-N 1 1 285.368 3.207 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2c3cc[nH]c3ncc2Cl)C1 ZINC001138952182 804081384 /nfs/dbraw/zinc/08/13/84/804081384.db2.gz MWGGHOCZUBUIIQ-LLVKDONJSA-N 1 1 273.767 3.013 20 30 CGEDMO CCC(=O)Oc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC001138965938 804089191 /nfs/dbraw/zinc/08/91/91/804089191.db2.gz FIYVYNFMYLAJTP-CQSZACIVSA-N 1 1 286.375 3.128 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[NH2+]C(C)(C)CN ZINC001245999228 804094888 /nfs/dbraw/zinc/09/48/88/804094888.db2.gz ZPXRZRKZPMBZAE-OAHLLOKOSA-N 1 1 272.477 3.205 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[NH2+]CC1(N)CCC1 ZINC001246021628 804100840 /nfs/dbraw/zinc/10/08/40/804100840.db2.gz UELJDXUZKCZXRE-INIZCTEOSA-N 1 1 284.488 3.349 20 30 CGEDMO CCCCCCCCCC[C@H](O)CNCC1([NH3+])CCC1 ZINC001246021628 804100843 /nfs/dbraw/zinc/10/08/43/804100843.db2.gz UELJDXUZKCZXRE-INIZCTEOSA-N 1 1 284.488 3.349 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[N@@H+]1CC2CC1(CN)C2 ZINC001246026317 804100926 /nfs/dbraw/zinc/10/09/26/804100926.db2.gz MIKDTRZBNMQAGS-ADKAHSJRSA-N 1 1 296.499 3.301 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[N@H+]1CC2CC1(CN)C2 ZINC001246026317 804100929 /nfs/dbraw/zinc/10/09/29/804100929.db2.gz MIKDTRZBNMQAGS-ADKAHSJRSA-N 1 1 296.499 3.301 20 30 CGEDMO C=CCCCCCC[C@H](O)CN(C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001246068614 804108895 /nfs/dbraw/zinc/10/88/95/804108895.db2.gz WFIINFKXRBQJSM-GVDBMIGSSA-N 1 1 282.472 3.076 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cn2)CC1 ZINC001139014939 804110853 /nfs/dbraw/zinc/11/08/53/804110853.db2.gz NHNYOMSANYJFAG-NSHDSACASA-N 1 1 283.297 3.226 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CC[C@@]2(C1)CCCCO2 ZINC001139028772 804112555 /nfs/dbraw/zinc/11/25/55/804112555.db2.gz BXKIMJBNIDGUCI-GOSISDBHSA-N 1 1 287.403 3.396 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(-c2ccccc2OC)cc1 ZINC001139036749 804114797 /nfs/dbraw/zinc/11/47/97/804114797.db2.gz UWROIHOZNAVHCZ-UHFFFAOYSA-N 1 1 265.356 3.427 20 30 CGEDMO Cc1cccc2[nH]cc(C[N@@H+]3CCC[C@@H](C#N)C3)c21 ZINC001139195968 804157651 /nfs/dbraw/zinc/15/76/51/804157651.db2.gz GIOIFCRIQHAZGI-ZDUSSCGKSA-N 1 1 253.349 3.212 20 30 CGEDMO Cc1cccc2[nH]cc(C[N@H+]3CCC[C@@H](C#N)C3)c21 ZINC001139195968 804157656 /nfs/dbraw/zinc/15/76/56/804157656.db2.gz GIOIFCRIQHAZGI-ZDUSSCGKSA-N 1 1 253.349 3.212 20 30 CGEDMO C=CC[N@@H+](Cc1cc(Br)cnc1N)C(C)(C)C ZINC001139451490 804190111 /nfs/dbraw/zinc/19/01/11/804190111.db2.gz HEWIUAWGHPYBOS-UHFFFAOYSA-N 1 1 298.228 3.213 20 30 CGEDMO CCCCCCCC[C@H](CCC)[NH2+][C@H]1CN[C@@H](CO)C1 ZINC001246263058 804243887 /nfs/dbraw/zinc/24/38/87/804243887.db2.gz QTJHHDPNBZZPCX-GVDBMIGSSA-N 1 1 284.488 3.218 20 30 CGEDMO CCCCCCCC[C@@H](CCC)[NH2+][C@H]1CN[C@@H](CO)C1 ZINC001246263052 804244831 /nfs/dbraw/zinc/24/48/31/804244831.db2.gz QTJHHDPNBZZPCX-BRWVUGGUSA-N 1 1 284.488 3.218 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cccc(Cl)c2C#N)CCC[C@]1(C)O ZINC001139687596 804253682 /nfs/dbraw/zinc/25/36/82/804253682.db2.gz UBZVINCZSGBBLF-LRDDRELGSA-N 1 1 292.810 3.195 20 30 CGEDMO N#Cc1c(Cl)cccc1C[NH+]1CCC2(CCOC2)CC1 ZINC001139686997 804255352 /nfs/dbraw/zinc/25/53/52/804255352.db2.gz JRDCHBXVYHKFMO-UHFFFAOYSA-N 1 1 290.794 3.214 20 30 CGEDMO C[N@@H+](Cc1cccc(Cl)c1C#N)C[C@H]1CCCCO1 ZINC001139690992 804256156 /nfs/dbraw/zinc/25/61/56/804256156.db2.gz OEHJCLLLEJYOLH-CYBMUJFWSA-N 1 1 278.783 3.213 20 30 CGEDMO C[N@H+](Cc1cccc(Cl)c1C#N)C[C@H]1CCCCO1 ZINC001139690992 804256163 /nfs/dbraw/zinc/25/61/63/804256163.db2.gz OEHJCLLLEJYOLH-CYBMUJFWSA-N 1 1 278.783 3.213 20 30 CGEDMO CCC[N@@H+](Cc1c[nH]c2c1cccc2C#N)C1CCOCC1 ZINC001139706691 804260434 /nfs/dbraw/zinc/26/04/34/804260434.db2.gz FUHYWJNZVKTGOG-UHFFFAOYSA-N 1 1 297.402 3.431 20 30 CGEDMO CC[N@H+](CCN1CCCCC1)Cc1ccc(C)c(C#N)c1 ZINC001139726058 804267586 /nfs/dbraw/zinc/26/75/86/804267586.db2.gz PKAZVEQXMNCKAC-UHFFFAOYSA-N 1 1 285.435 3.175 20 30 CGEDMO CC[N@@H+](CCN1CCCCC1)Cc1ccc(C)c(C#N)c1 ZINC001139726058 804267594 /nfs/dbraw/zinc/26/75/94/804267594.db2.gz PKAZVEQXMNCKAC-UHFFFAOYSA-N 1 1 285.435 3.175 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccnc3ccccc32)no1 ZINC001212327222 815005907 /nfs/dbraw/zinc/00/59/07/815005907.db2.gz TUJYONCJSVUHRP-AWEZNQCLSA-N 1 1 292.342 3.088 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C1CCCCC1 ZINC001139854973 804300294 /nfs/dbraw/zinc/30/02/94/804300294.db2.gz RCHHSNSVJDPOPD-UHFFFAOYSA-N 1 1 297.406 3.187 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)C1CCC(C)(C)CC1 ZINC001139869999 804303349 /nfs/dbraw/zinc/30/33/49/804303349.db2.gz VYNDZFPKPDQCCC-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO CCCCN(CC#N)Cc1ccccc1-n1cc[nH+]c1C ZINC001140027108 804355338 /nfs/dbraw/zinc/35/53/38/804355338.db2.gz YOJOVDQNQKTXQG-UHFFFAOYSA-N 1 1 282.391 3.306 20 30 CGEDMO CCCCCCC[C@@H](CC)[NH2+][C@@H]1CNCC[C@@H]1F ZINC001246481691 804355738 /nfs/dbraw/zinc/35/57/38/804355738.db2.gz JSFYVCTWNMLBAB-QLFBSQMISA-N 1 1 258.425 3.415 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cccc(Cl)c2OC)C1 ZINC001140062276 804366247 /nfs/dbraw/zinc/36/62/47/804366247.db2.gz QGAJKIPESNTAQH-LBPRGKRZSA-N 1 1 263.768 3.194 20 30 CGEDMO COc1c(Cl)cccc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001140067974 804372017 /nfs/dbraw/zinc/37/20/17/804372017.db2.gz UBJIDKYKCVBZCH-LBPRGKRZSA-N 1 1 278.783 3.474 20 30 CGEDMO COc1c(Cl)cccc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001140067974 804372026 /nfs/dbraw/zinc/37/20/26/804372026.db2.gz UBJIDKYKCVBZCH-LBPRGKRZSA-N 1 1 278.783 3.474 20 30 CGEDMO C[C@H]1C[C@@H](CF)[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140110728 804380050 /nfs/dbraw/zinc/38/00/50/804380050.db2.gz REJNCPZYZKHWLK-FZMZJTMJSA-N 1 1 271.339 3.219 20 30 CGEDMO COc1ccc(CC[N@@H+](C)Cc2ccc(C#N)cc2F)cc1 ZINC001140139593 804386224 /nfs/dbraw/zinc/38/62/24/804386224.db2.gz XVIVQMXRCQHBFV-UHFFFAOYSA-N 1 1 298.361 3.380 20 30 CGEDMO COC(C)(C)[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC001140139532 804386512 /nfs/dbraw/zinc/38/65/12/804386512.db2.gz UXOSXIUDLYBPIA-OAHLLOKOSA-N 1 1 276.355 3.087 20 30 CGEDMO C=C(CC(C)C)C(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC001140333043 804416492 /nfs/dbraw/zinc/41/64/92/804416492.db2.gz PLGIQDUVLXCZLR-UHFFFAOYSA-N 1 1 292.423 3.162 20 30 CGEDMO N#CCC1C[NH+](Cc2cccc(-c3nccs3)c2)C1 ZINC001140336421 804417699 /nfs/dbraw/zinc/41/76/99/804417699.db2.gz YCURCZVPCHMCNY-UHFFFAOYSA-N 1 1 269.373 3.156 20 30 CGEDMO N#Cc1ccc(Nc2ccc[nH+]c2N)c(C(F)(F)F)c1 ZINC001212400106 815018055 /nfs/dbraw/zinc/01/80/55/815018055.db2.gz SGFRCTDYZYJTJE-UHFFFAOYSA-N 1 1 278.237 3.298 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3ccccc3)C2)cn1 ZINC001140543705 804458236 /nfs/dbraw/zinc/45/82/36/804458236.db2.gz RJPDXDDYRJIYJZ-KRWDZBQOSA-N 1 1 277.371 3.333 20 30 CGEDMO CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(C#N)nc1 ZINC001140545902 804458678 /nfs/dbraw/zinc/45/86/78/804458678.db2.gz PDRKBDZNHBPSQK-UHFFFAOYSA-N 1 1 269.323 3.114 20 30 CGEDMO C=C1C[C@@H]2CC(N3CCCC[C@@]34CC[NH2+]C4)C[C@H](C1)C2 ZINC001246646386 804474096 /nfs/dbraw/zinc/47/40/96/804474096.db2.gz ZIBILORXRSNAFD-WFFDWFOESA-N 1 1 274.452 3.339 20 30 CGEDMO N#Cc1c(F)cc(C[N@@H+]2CC3CCC2CC3)cc1F ZINC001140754926 804506542 /nfs/dbraw/zinc/50/65/42/804506542.db2.gz OQYYOYTVLNUXKG-UHFFFAOYSA-N 1 1 262.303 3.211 20 30 CGEDMO N#Cc1c(F)cc(C[N@H+]2CC3CCC2CC3)cc1F ZINC001140754926 804506548 /nfs/dbraw/zinc/50/65/48/804506548.db2.gz OQYYOYTVLNUXKG-UHFFFAOYSA-N 1 1 262.303 3.211 20 30 CGEDMO C=C(C)CN(CC)[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256919859 807011626 /nfs/dbraw/zinc/01/16/26/807011626.db2.gz FSIYRDYRAZHXGH-MRXNPFEDSA-N 1 1 250.430 3.291 20 30 CGEDMO C=C(C)C[N@@H+](CC)[C@@H]1CCCN(C2CCCC2)C1 ZINC001256919859 807011628 /nfs/dbraw/zinc/01/16/28/807011628.db2.gz FSIYRDYRAZHXGH-MRXNPFEDSA-N 1 1 250.430 3.291 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H]1CCCN(C2CCCC2)C1 ZINC001256919859 807011633 /nfs/dbraw/zinc/01/16/33/807011633.db2.gz FSIYRDYRAZHXGH-MRXNPFEDSA-N 1 1 250.430 3.291 20 30 CGEDMO N#CC1CCC([N@@H+]2Cc3cnc(Cl)cc3C2)CC1 ZINC001256971410 807020543 /nfs/dbraw/zinc/02/05/43/807020543.db2.gz QKGWYVZBIVGNAN-UHFFFAOYSA-N 1 1 261.756 3.133 20 30 CGEDMO N#CC1CCC([N@H+]2Cc3cnc(Cl)cc3C2)CC1 ZINC001256971410 807020550 /nfs/dbraw/zinc/02/05/50/807020550.db2.gz QKGWYVZBIVGNAN-UHFFFAOYSA-N 1 1 261.756 3.133 20 30 CGEDMO CCCCCCCCC[C@@H](C)[N@H+]1CC[C@@](N)(C(=O)OC)C1 ZINC001246919329 804600519 /nfs/dbraw/zinc/60/05/19/804600519.db2.gz HHXYNCCMOJMHJL-WBVHZDCISA-N 1 1 298.471 3.092 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](F)CC1 ZINC001141164105 804601542 /nfs/dbraw/zinc/60/15/42/804601542.db2.gz KHGLOAUEAKEDHF-CYBMUJFWSA-N 1 1 250.292 3.021 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](F)CC1 ZINC001141164105 804601544 /nfs/dbraw/zinc/60/15/44/804601544.db2.gz KHGLOAUEAKEDHF-CYBMUJFWSA-N 1 1 250.292 3.021 20 30 CGEDMO C=CC[N@@H+](C1CCCCC1)[C@H]1CC[NH2+]C(C)(C)C1 ZINC001246944249 804612372 /nfs/dbraw/zinc/61/23/72/804612372.db2.gz BMZMAGCUYSOMCZ-HNNXBMFYSA-N 1 1 250.430 3.338 20 30 CGEDMO C=CC[N@@H+](C1CCCCC1)[C@H]1CC[NH2+][C@H](CC)C1 ZINC001246944842 804612905 /nfs/dbraw/zinc/61/29/05/804612905.db2.gz CYPMKPBPLDSWET-ZBFHGGJFSA-N 1 1 250.430 3.338 20 30 CGEDMO CCCCCCCCNC(=S)NCCn1cc[nH+]c1C ZINC001247166444 804672942 /nfs/dbraw/zinc/67/29/42/804672942.db2.gz JOYQTZFTTHPAGB-UHFFFAOYSA-N 1 1 296.484 3.016 20 30 CGEDMO CSc1nc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)ccc1C#N ZINC001141932220 804680094 /nfs/dbraw/zinc/68/00/94/804680094.db2.gz VRRNBTQJMXWAAF-JSGCOSHPSA-N 1 1 287.432 3.297 20 30 CGEDMO CSc1nc(C[N@H+]2CCC[C@H]3CCC[C@H]32)ccc1C#N ZINC001141941808 804680597 /nfs/dbraw/zinc/68/05/97/804680597.db2.gz YVBQRRABQUHCPP-IUODEOHRSA-N 1 1 287.432 3.440 20 30 CGEDMO CSc1nc(C[NH+]2CCC(SC)CC2)ccc1C#N ZINC001141938282 804680878 /nfs/dbraw/zinc/68/08/78/804680878.db2.gz ABYDKFDRFDTGKF-UHFFFAOYSA-N 1 1 293.461 3.003 20 30 CGEDMO C=CCOc1ccc(-c2noc([C@@H]([NH3+])C(C)C)n2)c(F)c1 ZINC001247417473 804730191 /nfs/dbraw/zinc/73/01/91/804730191.db2.gz CSDPCKXJPURAND-ZDUSSCGKSA-N 1 1 291.326 3.096 20 30 CGEDMO C[N@H+]1CCC[C@H](CCNc2cccc3[nH]c(C#N)cc32)C1 ZINC001165279586 806986157 /nfs/dbraw/zinc/98/61/57/806986157.db2.gz WKFLHPGLZBYWAT-CYBMUJFWSA-N 1 1 282.391 3.183 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH3+])c1nc(-c2ccc(Cl)c(C)c2)no1 ZINC001247621611 804781178 /nfs/dbraw/zinc/78/11/78/804781178.db2.gz RLBPSXYBCXOBOZ-QMTHXVAHSA-N 1 1 275.739 3.058 20 30 CGEDMO C[N@H+]1CCC[C@H](CCNc2ccc3c(C#N)c[nH]c3c2)C1 ZINC001165289576 806987419 /nfs/dbraw/zinc/98/74/19/806987419.db2.gz GCOISELNUGSMHI-CYBMUJFWSA-N 1 1 282.391 3.183 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH3+])c1nc(-c2ccc3sc(C)nc3c2)no1 ZINC001247621816 804781532 /nfs/dbraw/zinc/78/15/32/804781532.db2.gz ZNQCPRPGTLSXPD-MEBBXXQBSA-N 1 1 298.371 3.015 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2ccc(Cl)c(OC)c2)no1 ZINC001247622033 804782735 /nfs/dbraw/zinc/78/27/35/804782735.db2.gz CXVUQKBTPMLUTH-NSHDSACASA-N 1 1 293.754 3.365 20 30 CGEDMO N#Cc1ccc2c(C[N@H+]3CCC[C@]4(CCOC4)C3)c[nH]c2c1 ZINC001142915601 804783202 /nfs/dbraw/zinc/78/32/02/804783202.db2.gz CSUOUEGWPIAWRH-SFHVURJKSA-N 1 1 295.386 3.042 20 30 CGEDMO C=CC[N@@H+](Cc1cnc2ccc(Cl)nn12)C(C)(C)C ZINC001143000692 804793337 /nfs/dbraw/zinc/79/33/37/804793337.db2.gz WYHIYULBZDKDNP-UHFFFAOYSA-N 1 1 278.787 3.169 20 30 CGEDMO C[N@H+]1CCC[C@@H](CCNc2ccccc2CS)C1 ZINC001165290451 806988588 /nfs/dbraw/zinc/98/85/88/806988588.db2.gz UWYYCIBCLWLKMX-ZDUSSCGKSA-N 1 1 264.438 3.260 20 30 CGEDMO CC(C)(C)c1cccc(C[N@@H+]2CC[C@H](C#N)C2)c1O ZINC001143112305 804804380 /nfs/dbraw/zinc/80/43/80/804804380.db2.gz PLAXPWGKBOAARY-GFCCVEGCSA-N 1 1 258.365 3.035 20 30 CGEDMO CC(C)(C)c1cccc(C[N@H+]2CC[C@H](C#N)C2)c1O ZINC001143112305 804804386 /nfs/dbraw/zinc/80/43/86/804804386.db2.gz PLAXPWGKBOAARY-GFCCVEGCSA-N 1 1 258.365 3.035 20 30 CGEDMO CCC1CC[NH+](Cc2c(F)ccc(C#N)c2F)CC1 ZINC001143164290 804813242 /nfs/dbraw/zinc/81/32/42/804813242.db2.gz CQCLUYLZIXNLEV-UHFFFAOYSA-N 1 1 264.319 3.458 20 30 CGEDMO CC[C@H]1CCC[N@@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143173339 804813781 /nfs/dbraw/zinc/81/37/81/804813781.db2.gz XUDCOCWAXFDIKH-NSHDSACASA-N 1 1 250.292 3.211 20 30 CGEDMO CC[C@H]1CCC[N@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143173339 804813786 /nfs/dbraw/zinc/81/37/86/804813786.db2.gz XUDCOCWAXFDIKH-NSHDSACASA-N 1 1 250.292 3.211 20 30 CGEDMO C[C@H]1CCC[N@H+](Cc2c(F)ccc(C#N)c2F)[C@H]1C ZINC001143171188 804814405 /nfs/dbraw/zinc/81/44/05/804814405.db2.gz SXRGBTNHDBJKQT-QWRGUYRKSA-N 1 1 264.319 3.457 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2c(F)ccc(C#N)c2F)[C@H]1C ZINC001143171188 804814410 /nfs/dbraw/zinc/81/44/10/804814410.db2.gz SXRGBTNHDBJKQT-QWRGUYRKSA-N 1 1 264.319 3.457 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](c3ccccn3)C2)c1F ZINC001143173347 804814682 /nfs/dbraw/zinc/81/46/82/804814682.db2.gz XXZJKGKFUCDXAI-ZDUSSCGKSA-N 1 1 299.324 3.221 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](c3ccccn3)C2)c1F ZINC001143173347 804814689 /nfs/dbraw/zinc/81/46/89/804814689.db2.gz XXZJKGKFUCDXAI-ZDUSSCGKSA-N 1 1 299.324 3.221 20 30 CGEDMO CO[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2C#N)CC1 ZINC001143726084 804886813 /nfs/dbraw/zinc/88/68/13/804886813.db2.gz FLLQSGHGHCJBJL-CYBMUJFWSA-N 1 1 278.783 3.213 20 30 CGEDMO CO[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2C#N)CC1 ZINC001143726084 804886822 /nfs/dbraw/zinc/88/68/22/804886822.db2.gz FLLQSGHGHCJBJL-CYBMUJFWSA-N 1 1 278.783 3.213 20 30 CGEDMO C[C@H]1CC[N@H+](Cc2c(Cl)cccc2C#N)CC[C@]1(C)O ZINC001143716262 804887528 /nfs/dbraw/zinc/88/75/28/804887528.db2.gz JMPAHSGTGKMUEV-LRDDRELGSA-N 1 1 292.810 3.195 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2c(Cl)cccc2C#N)CC[C@]1(C)O ZINC001143716262 804887536 /nfs/dbraw/zinc/88/75/36/804887536.db2.gz JMPAHSGTGKMUEV-LRDDRELGSA-N 1 1 292.810 3.195 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(OC)c(OC(F)(F)F)c1 ZINC001143878750 804901900 /nfs/dbraw/zinc/90/19/00/804901900.db2.gz IJSUFPZEJVGFLU-UHFFFAOYSA-N 1 1 275.270 3.212 20 30 CGEDMO C#Cc1cccc(N(CC)C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)c1 ZINC001144135434 804941764 /nfs/dbraw/zinc/94/17/64/804941764.db2.gz RTRUVIGHIFEKJL-SJLPKXTDSA-N 1 1 296.414 3.038 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@@H+](C)C1CC(F)(F)C1 ZINC001248748441 804982067 /nfs/dbraw/zinc/98/20/67/804982067.db2.gz JSGOKWZPNHANRF-UHFFFAOYSA-N 1 1 264.319 3.350 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CC[C@H]2O[C@@H](C)C[C@H]2C1 ZINC001248749561 804982439 /nfs/dbraw/zinc/98/24/39/804982439.db2.gz COVMEANMORAUDU-DOPJRALCSA-N 1 1 284.403 3.120 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCC[C@H](OC)CC1 ZINC001248752040 804984374 /nfs/dbraw/zinc/98/43/74/804984374.db2.gz UUSOVVJWMVRLTL-KRWDZBQOSA-N 1 1 272.392 3.122 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+](C)C1CCN(CC)CC1 ZINC001248751041 804984774 /nfs/dbraw/zinc/98/47/74/804984774.db2.gz HHGFPEYHSIWADV-UHFFFAOYSA-N 1 1 285.435 3.037 20 30 CGEDMO CCc1cc(C#N)ccc1CN(C)C1CC[NH+](CC)CC1 ZINC001248751041 804984779 /nfs/dbraw/zinc/98/47/79/804984779.db2.gz HHGFPEYHSIWADV-UHFFFAOYSA-N 1 1 285.435 3.037 20 30 CGEDMO Cc1cc(C[N@@H+]2CCC[C@@H](C#N)CC2)c(Cl)nc1C ZINC001249027845 805075315 /nfs/dbraw/zinc/07/53/15/805075315.db2.gz FMHVFLRBUGLCBQ-CYBMUJFWSA-N 1 1 277.799 3.478 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@@H](C#N)CC2)c(Cl)nc1C ZINC001249027845 805075325 /nfs/dbraw/zinc/07/53/25/805075325.db2.gz FMHVFLRBUGLCBQ-CYBMUJFWSA-N 1 1 277.799 3.478 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(CN(C(=O)CCCCC)C2)C1 ZINC001147021568 805104779 /nfs/dbraw/zinc/10/47/79/805104779.db2.gz LDURYWAXSNOCME-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCCC(=O)N1CC2(C1)CC[N@@H+](CCC1CCCC1)C2 ZINC001147187787 805114577 /nfs/dbraw/zinc/11/45/77/805114577.db2.gz QQEIIIHDLCKWHQ-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@H](C)CCC)C2)C1 ZINC001147269170 805119084 /nfs/dbraw/zinc/11/90/84/805119084.db2.gz YWBHYUMBXIUTAQ-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(CN(C(=O)C=C(CC)CC)C2)C1 ZINC001147340462 805121908 /nfs/dbraw/zinc/12/19/08/805121908.db2.gz QIJZPFXUAXRNHC-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO C[N@H+](Cc1cc2ccc(C#N)cc2[nH]1)C[C@H]1CCCCO1 ZINC001249429204 805146330 /nfs/dbraw/zinc/14/63/30/805146330.db2.gz RRFHFLQHDOQLBD-MRXNPFEDSA-N 1 1 283.375 3.040 20 30 CGEDMO CC1(C)[C@@H]2C[N@H+](Cc3cc4ccc(C#N)cc4[nH]3)C[C@@H]21 ZINC001249429418 805146365 /nfs/dbraw/zinc/14/63/65/805146365.db2.gz AWIARQWQGABNLV-GASCZTMLSA-N 1 1 265.360 3.127 20 30 CGEDMO C[N@H+](Cc1cc2ccc(C#N)cc2[nH]1)C[C@@H]1CCCCO1 ZINC001249429203 805146543 /nfs/dbraw/zinc/14/65/43/805146543.db2.gz RRFHFLQHDOQLBD-INIZCTEOSA-N 1 1 283.375 3.040 20 30 CGEDMO CO[C@H]1CCC[N@@H+](Cc2cc3ccc(C#N)cc3[nH]2)CC1 ZINC001249429601 805147579 /nfs/dbraw/zinc/14/75/79/805147579.db2.gz IVDJUOITTGMUDC-INIZCTEOSA-N 1 1 283.375 3.040 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2cc3ccc(C#N)cc3[nH]2)[C@@H](C)C1 ZINC001249430824 805148044 /nfs/dbraw/zinc/14/80/44/805148044.db2.gz IDXBFAXFKCTMQE-BLLLJJGKSA-N 1 1 283.375 3.039 20 30 CGEDMO N#Cc1ccc2cc(C[N@H+]3CCC[C@@H]4C[C@@H]43)[nH]c2c1 ZINC001249430281 805149001 /nfs/dbraw/zinc/14/90/01/805149001.db2.gz LEBNDUICASVTMV-CJNGLKHVSA-N 1 1 251.333 3.024 20 30 CGEDMO C=C[C@@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](CCC(C)C)C2 ZINC001148095666 805162594 /nfs/dbraw/zinc/16/25/94/805162594.db2.gz NAQWHGHFCDDFFH-HZPDHXFCSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CC[N@@H+]1CCC2(CN(C(=O)C[C@@H](C)CC(C)(C)C)C2)C1 ZINC001148342946 805175639 /nfs/dbraw/zinc/17/56/39/805175639.db2.gz NGFUBOBXPDMQDI-OAHLLOKOSA-N 1 1 292.467 3.169 20 30 CGEDMO CCCCCCCNC(=O)[C@@H]1CC[C@H]2C[C@H](C)C[N@H+]2C1 ZINC001148483391 805188467 /nfs/dbraw/zinc/18/84/67/805188467.db2.gz FGGZMPZUNJMQFK-XHSDSOJGSA-N 1 1 280.456 3.193 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(CN(C(=O)CCC3(C)CC3)C2)C1 ZINC001148551747 805194235 /nfs/dbraw/zinc/19/42/35/805194235.db2.gz UFKWYOHOKMMARI-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO CCN1CCc2ccc(C[N@H+]3CCC[C@@H](CC#N)C3)cc21 ZINC001249664158 805206286 /nfs/dbraw/zinc/20/62/86/805206286.db2.gz AENMBWYWGBOWDP-HNNXBMFYSA-N 1 1 283.419 3.195 20 30 CGEDMO C=CCC1(C(=O)N2CC3(C2)CC[N@H+](CC)C3)CCCCC1 ZINC001148811553 805210918 /nfs/dbraw/zinc/21/09/18/805210918.db2.gz CTVQVZAWACXYDL-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(C)s1 ZINC001151631583 805302745 /nfs/dbraw/zinc/30/27/45/805302745.db2.gz JZIMEDFIEZKNGG-CYBMUJFWSA-N 1 1 294.464 3.463 20 30 CGEDMO C=CCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1cccc(F)c1 ZINC001152312849 805344033 /nfs/dbraw/zinc/34/40/33/805344033.db2.gz DJEVDDRYVJDHEO-CQSZACIVSA-N 1 1 292.398 3.119 20 30 CGEDMO CC[N@@H+](CCCCCF)[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001153259743 805390287 /nfs/dbraw/zinc/39/02/87/805390287.db2.gz IVTPFQIBYIJXQG-OAHLLOKOSA-N 1 1 298.446 3.002 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H](C)[N@H+](CC)C[C@@H](C)CC ZINC001153608135 805405528 /nfs/dbraw/zinc/40/55/28/805405528.db2.gz AAXNZRNJNGROER-LSDHHAIUSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H](C)[N@@H+](CC)CC=C(C)C ZINC001153609064 805406962 /nfs/dbraw/zinc/40/69/62/805406962.db2.gz WNTOAFCTOXFQKH-OAHLLOKOSA-N 1 1 280.456 3.382 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H](C)[N@H+](CC)C[C@@H](C)CC ZINC001153626009 805408121 /nfs/dbraw/zinc/40/81/21/805408121.db2.gz UUEXVZVXWMZHNP-LSDHHAIUSA-N 1 1 268.445 3.215 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)C(C)(C)C ZINC001154024621 805427411 /nfs/dbraw/zinc/42/74/11/805427411.db2.gz ANJLCAHYCHZHRV-CABCVRRESA-N 1 1 282.472 3.461 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001154274992 805444355 /nfs/dbraw/zinc/44/43/55/805444355.db2.gz BBCGJUFRZANCCD-RBSFLKMASA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)C1(C2CC2)CCC1 ZINC001154485134 805459197 /nfs/dbraw/zinc/45/91/97/805459197.db2.gz STADVXUKDWEOBV-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)CC(C)C ZINC001154588033 805464796 /nfs/dbraw/zinc/46/47/96/805464796.db2.gz CRGFETISPOYBLR-CQSZACIVSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)CC(C)=C(C)C ZINC001154657094 805474016 /nfs/dbraw/zinc/47/40/16/805474016.db2.gz YVBIOQXPXBMGBK-OAHLLOKOSA-N 1 1 266.429 3.136 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)C1(CCC)CCC1 ZINC001154712518 805479718 /nfs/dbraw/zinc/47/97/18/805479718.db2.gz QHXGWYRTTHLPTC-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C1(CC)CCC1 ZINC001154713043 805480280 /nfs/dbraw/zinc/48/02/80/805480280.db2.gz VZSYIZQBEQESFK-CYBMUJFWSA-N 1 1 286.847 3.146 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C1(CC)CCC1 ZINC001154713043 805480283 /nfs/dbraw/zinc/48/02/83/805480283.db2.gz VZSYIZQBEQESFK-CYBMUJFWSA-N 1 1 286.847 3.146 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)CC(=C)C ZINC001154747232 805483514 /nfs/dbraw/zinc/48/35/14/805483514.db2.gz LAXYDZMYUXGFLW-JKSUJKDBSA-N 1 1 280.456 3.382 20 30 CGEDMO C=CCCCC(=O)NC[C@@H](C)[N@H+](CC)C[C@H](C)CC ZINC001154927912 805509889 /nfs/dbraw/zinc/50/98/89/805509889.db2.gz SECGWXQVOMFZMS-HUUCEWRRSA-N 1 1 268.445 3.215 20 30 CGEDMO N#CC1CCC([N@H+]2CCC[C@H](c3ccccn3)C2)CC1 ZINC001256969055 807020011 /nfs/dbraw/zinc/02/00/11/807020011.db2.gz YRMZSYRYNAOKSK-PCKAHOCUSA-N 1 1 269.392 3.343 20 30 CGEDMO CC(=O)C[N@H+](C)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257016809 807027229 /nfs/dbraw/zinc/02/72/29/807027229.db2.gz JIFPSSOXDLQAIC-UHFFFAOYSA-N 1 1 270.376 3.105 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@H]1CC[C@H](C(=O)OCC)C1 ZINC001257066536 807041006 /nfs/dbraw/zinc/04/10/06/807041006.db2.gz ZFIBPDVYZJBEES-IRXDYDNUSA-N 1 1 287.403 3.406 20 30 CGEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](C(CC)CC)C2 ZINC001257297737 807092517 /nfs/dbraw/zinc/09/25/17/807092517.db2.gz AZNGJDMMAVHBRT-HOTGVXAUSA-N 1 1 267.413 3.001 20 30 CGEDMO C=CCN1C(=O)CCC[C@@]12CCC[N@H+]([C@H](C)CCC)C2 ZINC001257316445 807103605 /nfs/dbraw/zinc/10/36/05/807103605.db2.gz DJKVIRXIOYLLGB-WBVHZDCISA-N 1 1 278.440 3.208 20 30 CGEDMO N#Cc1cccc(O[C@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC001257355962 807119782 /nfs/dbraw/zinc/11/97/82/807119782.db2.gz NZJDONGKRDSALP-KRWDZBQOSA-N 1 1 270.376 3.344 20 30 CGEDMO C=CC[C@@](C)([NH2+][C@@H](C)CCCCCC)C(=O)OC ZINC001257358511 807121972 /nfs/dbraw/zinc/12/19/72/807121972.db2.gz FRJYBMMYVDCVAA-DZGCQCFKSA-N 1 1 255.402 3.443 20 30 CGEDMO CC[C@H](C)[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001257443566 807159686 /nfs/dbraw/zinc/15/96/86/807159686.db2.gz OLCSZMMKTKVQCE-ZFWWWQNUSA-N 1 1 258.365 3.200 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](C1CCCCC1)CC2 ZINC001257458060 807166962 /nfs/dbraw/zinc/16/69/62/807166962.db2.gz PGPUIIMOLFJVGB-SFHVURJKSA-N 1 1 290.451 3.352 20 30 CGEDMO C[N@H+]1CC[C@H](Nc2ccc(C#C[Si](C)(C)C)cc2)C1 ZINC001167278852 807174618 /nfs/dbraw/zinc/17/46/18/807174618.db2.gz VSCAIJXRTIMZLI-INIZCTEOSA-N 1 1 272.468 3.032 20 30 CGEDMO C=CC[N@H+](C[C@H]1C[C@@H](OC)C1)CC1CCCCC1 ZINC001167391965 807190465 /nfs/dbraw/zinc/19/04/65/807190465.db2.gz PXCRXZAQPYYAEN-IYBDPMFKSA-N 1 1 251.414 3.480 20 30 CGEDMO CCCCCCCCCC[C@H](C)n1nnc(C[NH3+])n1 ZINC001257548688 807195648 /nfs/dbraw/zinc/19/56/48/807195648.db2.gz XRWFFLHFENZHGP-ZDUSSCGKSA-N 1 1 267.421 3.224 20 30 CGEDMO COCC#CC[N@H+]1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1 ZINC001167478067 807196819 /nfs/dbraw/zinc/19/68/19/807196819.db2.gz KREITHGHCFAMMV-SJLPKXTDSA-N 1 1 271.404 3.418 20 30 CGEDMO CCCCCCCNC(=O)[C@H]1CCC[N@H+](C(C)C)C1 ZINC001167580837 807208661 /nfs/dbraw/zinc/20/86/61/807208661.db2.gz RMHNXEQEDMVPGI-HNNXBMFYSA-N 1 1 268.445 3.193 20 30 CGEDMO CC(C)OC1CCC([N@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC001257882565 807236701 /nfs/dbraw/zinc/23/67/01/807236701.db2.gz SRJYGOFLEMKWLB-FHERZECASA-N 1 1 264.413 3.348 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+](CC)CCN(C)C)C[C@H](C1)C2 ZINC001257890056 807241409 /nfs/dbraw/zinc/24/14/09/807241409.db2.gz PTQFPLQQHPCTAG-XYPWUTKMSA-N 1 1 250.430 3.005 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCCNc1cccc(/C=N/O)c1 ZINC001167752856 807241427 /nfs/dbraw/zinc/24/14/27/807241427.db2.gz HZLICGDCLWUISI-QFGUUYLXSA-N 1 1 275.396 3.171 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CC[C@@H](N4CCCC4)C3)C[C@H](C1)C2 ZINC001257893403 807243007 /nfs/dbraw/zinc/24/30/07/807243007.db2.gz RERIKFKBEVFAOM-SOABOVLPSA-N 1 1 274.452 3.291 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+](C)[C@H]3CCC4(C3)OCCO4)C[C@H](C1)C2 ZINC001257894505 807243932 /nfs/dbraw/zinc/24/39/32/807243932.db2.gz YAOWOCRCFPYZLB-TVXGVJEUSA-N 1 1 291.435 3.349 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCC[C@@]34CCOC4)C[C@H](C1)C2 ZINC001257895243 807245640 /nfs/dbraw/zinc/24/56/40/807245640.db2.gz NFKOIUWFLWYCOC-WFVVYAPDSA-N 1 1 261.409 3.376 20 30 CGEDMO Cc1[nH+]c(N)ccc1CNc1ncc(C#N)c2ccccc21 ZINC001167780785 807249186 /nfs/dbraw/zinc/24/91/86/807249186.db2.gz BXKILQHKTABQHJ-UHFFFAOYSA-N 1 1 289.342 3.004 20 30 CGEDMO C=CC[N@@H+](C1CCN(CC(C)C)CC1)C(C)(C)C ZINC001258018295 807266146 /nfs/dbraw/zinc/26/61/46/807266146.db2.gz KNHMPMHAPDHBPP-UHFFFAOYSA-N 1 1 252.446 3.393 20 30 CGEDMO C=CC[N@H+](C1CCN(CC(C)C)CC1)C(C)(C)C ZINC001258018295 807266150 /nfs/dbraw/zinc/26/61/50/807266150.db2.gz KNHMPMHAPDHBPP-UHFFFAOYSA-N 1 1 252.446 3.393 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CC[C@](F)(C(=O)OC)C1 ZINC001258044278 807274406 /nfs/dbraw/zinc/27/44/06/807274406.db2.gz KVGNEXICAZPBHV-DZGCQCFKSA-N 1 1 273.392 3.322 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1C[C@@H]2COC[C@]2(COC)C1 ZINC001258047156 807275255 /nfs/dbraw/zinc/27/52/55/807275255.db2.gz HYENEXGHLCPVJD-BRWVUGGUSA-N 1 1 283.456 3.330 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C)[C@@H]2C1 ZINC001258049352 807275289 /nfs/dbraw/zinc/27/52/89/807275289.db2.gz FPIYGAURWRRFMW-OWCLPIDISA-N 1 1 252.446 3.371 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1CCC[C@@H](NC(C)=O)C1 ZINC001258047711 807275704 /nfs/dbraw/zinc/27/57/04/807275704.db2.gz NPXMZZKHVSKHJL-GDBMZVCRSA-N 1 1 268.445 3.336 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CCC2(CN(C)C2)C1 ZINC001258050743 807277401 /nfs/dbraw/zinc/27/74/01/807277401.db2.gz XNPDAIDMFUVQOT-HNNXBMFYSA-N 1 1 252.446 3.373 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC001258050734 807277479 /nfs/dbraw/zinc/27/74/79/807277479.db2.gz XFGFOAUDWFUSGH-GJZGRUSLSA-N 1 1 289.485 3.244 20 30 CGEDMO C#CC(C)(C)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168007415 807298999 /nfs/dbraw/zinc/29/89/99/807298999.db2.gz APQARNDJYRWSKO-ALXJQNPVSA-N 1 1 284.447 3.429 20 30 CGEDMO C#CC(C)(C)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168007415 807299001 /nfs/dbraw/zinc/29/90/01/807299001.db2.gz APQARNDJYRWSKO-ALXJQNPVSA-N 1 1 284.447 3.429 20 30 CGEDMO C#C[C@H](C)[NH2+]C1C[C@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168022481 807300377 /nfs/dbraw/zinc/30/03/77/807300377.db2.gz SEMWDYWJYOAZBB-JYJNAYRXSA-N 1 1 270.420 3.039 20 30 CGEDMO C[C@@H](Cc1ccco1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001258197329 807356897 /nfs/dbraw/zinc/35/68/97/807356897.db2.gz FNBKKBBLOFIDGP-ZDUSSCGKSA-N 1 1 254.333 3.214 20 30 CGEDMO CCCCCCCCC[C@H](C)[NH2+][C@H]1CCOC1=O ZINC001258230493 807379366 /nfs/dbraw/zinc/37/93/66/807379366.db2.gz WPSRECOZXZDJET-KBPBESRZSA-N 1 1 255.402 3.421 20 30 CGEDMO C=CC[C@@](C)([NH2+][C@@H]1CCCC(C)(C)C1)C(=O)OC ZINC001258284070 807395372 /nfs/dbraw/zinc/39/53/72/807395372.db2.gz YLTMCDAMGCISGX-IUODEOHRSA-N 1 1 253.386 3.053 20 30 CGEDMO C=CC[C@H]([NH2+]C(CCCC)CCCC)C(=O)OC ZINC001258380566 807432764 /nfs/dbraw/zinc/43/27/64/807432764.db2.gz KOLPVUNBLDGGLI-AWEZNQCLSA-N 1 1 255.402 3.443 20 30 CGEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@H](C)CC1CC1)C2 ZINC001258464753 807466972 /nfs/dbraw/zinc/46/69/72/807466972.db2.gz USCLAHFGAVMXEN-PVAVHDDUSA-N 1 1 279.424 3.001 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+]([C@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168742868 807503084 /nfs/dbraw/zinc/50/30/84/807503084.db2.gz ICOUUKQQFNSHEH-WFASDCNBSA-N 1 1 260.768 3.043 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+]([C@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168742868 807503088 /nfs/dbraw/zinc/50/30/88/807503088.db2.gz ICOUUKQQFNSHEH-WFASDCNBSA-N 1 1 260.768 3.043 20 30 CGEDMO C[C@H](Cc1cccnc1)[N@@H+](CCC#N)C1CCCC1 ZINC001258628170 807516515 /nfs/dbraw/zinc/51/65/15/807516515.db2.gz NTCFYHMMNXLLDI-CQSZACIVSA-N 1 1 257.381 3.171 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC001169080921 807570062 /nfs/dbraw/zinc/57/00/62/807570062.db2.gz XKVAZTHCZMWFQD-NVXWUHKLSA-N 1 1 259.393 3.285 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H]2[C@H]1CN2C(=O)OC(C)(C)C ZINC001258728938 807576673 /nfs/dbraw/zinc/57/66/73/807576673.db2.gz RJOAXUGXSVLZGF-SOUVJXGZSA-N 1 1 294.439 3.425 20 30 CGEDMO CC(C)[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C)c1cccc(C#N)c1 ZINC001169107092 807577616 /nfs/dbraw/zinc/57/76/16/807577616.db2.gz CHBAGTGHBLDYBX-FCGDIQPGSA-N 1 1 297.446 3.470 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](N2Cc3ccccc3C2=O)C1 ZINC001258734319 807580688 /nfs/dbraw/zinc/58/06/88/807580688.db2.gz WXKXPIKFGQIXCG-DOTOQJQBSA-N 1 1 298.430 3.462 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCOC[C@H]1Cc1ccccc1 ZINC001258734010 807580692 /nfs/dbraw/zinc/58/06/92/807580692.db2.gz QBHWIKXMCNJDMN-DOTOQJQBSA-N 1 1 259.393 3.285 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001258734595 807580832 /nfs/dbraw/zinc/58/08/32/807580832.db2.gz FYXJPJOFGTUWKL-UONOGXRCSA-N 1 1 282.428 3.188 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001258735884 807582170 /nfs/dbraw/zinc/58/21/70/807582170.db2.gz FAXRFIRUQIEPIZ-ZACQAIPSSA-N 1 1 270.420 3.409 20 30 CGEDMO CC(C)C1CCC([N@H+]2CCC3SC(=O)C=C3C2)CC1 ZINC001258802910 807624000 /nfs/dbraw/zinc/62/40/00/807624000.db2.gz FSIJLHHKMCACLT-PESDSKBTSA-N 1 1 279.449 3.475 20 30 CGEDMO CCCCCCC[N@@H+](CC)[C@H]1CC[C@@H](C(=O)OCC)OC1 ZINC001169394619 807637989 /nfs/dbraw/zinc/63/79/89/807637989.db2.gz YHXAFDBPTBOOEX-HOTGVXAUSA-N 1 1 299.455 3.389 20 30 CGEDMO C#C[C@@](C)(CC)Nc1cc(N2CCCC2)nc(SC)[nH+]1 ZINC001169691939 807688448 /nfs/dbraw/zinc/68/84/48/807688448.db2.gz ILGZAVPTCXNCOL-HNNXBMFYSA-N 1 1 290.436 3.013 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)Cc1ccc(Cl)cc1OC ZINC001169832428 807713359 /nfs/dbraw/zinc/71/33/59/807713359.db2.gz IBKDYCPNJJWMHR-UHFFFAOYSA-N 1 1 296.842 3.288 20 30 CGEDMO C[NH+](C)[C@@H]1CCCC[C@@H]1N[C@H]1CCc2ccc(C#N)cc21 ZINC001261201871 807714148 /nfs/dbraw/zinc/71/41/48/807714148.db2.gz QHSCTYXYOHQQAG-OKZBNKHCSA-N 1 1 283.419 3.008 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1C[C@H]1COC2(CCCCC2)O1 ZINC001169862100 807716940 /nfs/dbraw/zinc/71/69/40/807716940.db2.gz DNLICXHBNFLPQJ-GJZGRUSLSA-N 1 1 265.397 3.103 20 30 CGEDMO C[N@H+](Cc1ccccc1N1CCCC1)CC(C)(C)C#N ZINC001261245564 807719835 /nfs/dbraw/zinc/71/98/35/807719835.db2.gz GPWLHBLDISTQOW-UHFFFAOYSA-N 1 1 271.408 3.268 20 30 CGEDMO C[N@@H+](Cc1ccccc1N1CCCC1)CC(C)(C)C#N ZINC001261245564 807719838 /nfs/dbraw/zinc/71/98/38/807719838.db2.gz GPWLHBLDISTQOW-UHFFFAOYSA-N 1 1 271.408 3.268 20 30 CGEDMO CC(C)CCC[C@@H](C)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001170079172 807749570 /nfs/dbraw/zinc/74/95/70/807749570.db2.gz YAGASDWVSQUQTG-OCCSQVGLSA-N 1 1 267.438 3.475 20 30 CGEDMO COC[C@H]1CC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170378751 807831757 /nfs/dbraw/zinc/83/17/57/807831757.db2.gz KFOVIQYAZLDJBH-IVMQYODDSA-N 1 1 298.430 3.359 20 30 CGEDMO CN1CC[C@H]([N@@H+](C)C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170389665 807834120 /nfs/dbraw/zinc/83/41/20/807834120.db2.gz YCRWVPBJHXYDSW-XBMUEBEBSA-N 1 1 297.446 3.026 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@@H](CC)Cc1ccc2c(c1)OCO2 ZINC001170446113 807844759 /nfs/dbraw/zinc/84/47/59/807844759.db2.gz ZPHHZQCJSGRGAT-HNNXBMFYSA-N 1 1 288.391 3.362 20 30 CGEDMO CCOC1CC([N@@H+](C)Cc2cc(Cl)cc(C#N)c2)C1 ZINC001170723241 807884798 /nfs/dbraw/zinc/88/47/98/807884798.db2.gz PXZRLJSTVNCJKR-UHFFFAOYSA-N 1 1 278.783 3.211 20 30 CGEDMO N#C[C@@H]1CC[N@@H+]([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170935961 807938694 /nfs/dbraw/zinc/93/86/94/807938694.db2.gz WEJSOOFDIHPGFR-WCQYABFASA-N 1 1 260.768 3.043 20 30 CGEDMO N#C[C@@H]1CC[N@H+]([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170935961 807938697 /nfs/dbraw/zinc/93/86/97/807938697.db2.gz WEJSOOFDIHPGFR-WCQYABFASA-N 1 1 260.768 3.043 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+]([C@H]2CCc3cccc(F)c3C2)C1 ZINC001171002249 807956543 /nfs/dbraw/zinc/95/65/43/807956543.db2.gz TXXUTPSPTKTAGC-ZFWWWQNUSA-N 1 1 272.367 3.309 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)CC1(C)CCCCC1 ZINC001263802035 808006593 /nfs/dbraw/zinc/00/65/93/808006593.db2.gz IJHAWUPPQXERLR-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCCC[C@@H](F)C1 ZINC001171203727 808009641 /nfs/dbraw/zinc/00/96/41/808009641.db2.gz PGYAFILBEHMSNY-XJKSGUPXSA-N 1 1 260.356 3.313 20 30 CGEDMO COc1ccc(Cl)c2c1C[C@@H]([NH+]1CC(CC#N)C1)CC2 ZINC001171316398 808025504 /nfs/dbraw/zinc/02/55/04/808025504.db2.gz NMAJTJHRCWITSQ-LBPRGKRZSA-N 1 1 290.794 3.051 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)CCC)[C@H]1C ZINC001264165971 808042522 /nfs/dbraw/zinc/04/25/22/808042522.db2.gz UKZZWCJEJHSSPC-OAGGEKHMSA-N 1 1 280.456 3.358 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)CCC)CC(C)(C)C1 ZINC001264195242 808047647 /nfs/dbraw/zinc/04/76/47/808047647.db2.gz OVXJDDDNQWIIJK-HNNXBMFYSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)CC1CCCCCC1 ZINC001264372597 808063627 /nfs/dbraw/zinc/06/36/27/808063627.db2.gz IICVVVUGCHQDSC-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](CCCC)C(C)C ZINC001264380449 808064188 /nfs/dbraw/zinc/06/41/88/808064188.db2.gz JQWWILSZBPQHHR-DLBZAZTESA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC1(C(=O)N(C)C[C@H]2CC[N@@H+]2CCCC)CCCC1 ZINC001264382647 808065725 /nfs/dbraw/zinc/06/57/25/808065725.db2.gz MSEGZFGEKJRMJT-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[N@@H+](CC=C)CC[C@@H]1c1ccccc1 ZINC001264591438 808080086 /nfs/dbraw/zinc/08/00/86/808080086.db2.gz YJPABSPHGXEHOU-QZTJIDSGSA-N 1 1 298.430 3.113 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@@H+](CC=C(C)C)[C@@H]2C)CCC1 ZINC001264717777 808088451 /nfs/dbraw/zinc/08/84/51/808088451.db2.gz KTZUZZXARWKDFI-CVEARBPZSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC1(CC(=O)N[C@H]2CC[N@H+](CC)[C@@H]2C)CCCCC1 ZINC001264722247 808088804 /nfs/dbraw/zinc/08/88/04/808088804.db2.gz IPMCEFYDOGHQNX-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171542490 808090263 /nfs/dbraw/zinc/09/02/63/808090263.db2.gz ROAMHBMKWWZBRO-SNVBAGLBSA-N 1 1 255.283 3.079 20 30 CGEDMO Cc1cccc2c1CC[C@H]([N@H+]1CCC3SC(=O)C=C3C1)C2 ZINC001171567902 808098741 /nfs/dbraw/zinc/09/87/41/808098741.db2.gz WPTSNHXPXMGFSL-DOTOQJQBSA-N 1 1 299.439 3.126 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)c1ccc(C)cc1 ZINC001265062720 808107602 /nfs/dbraw/zinc/10/76/02/808107602.db2.gz VNTUDGTVTKKKGR-MRXNPFEDSA-N 1 1 288.435 3.401 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C)s2)C1 ZINC001265202030 808119550 /nfs/dbraw/zinc/11/95/50/808119550.db2.gz ZQEWBGCOZDURNX-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO CC(C)[C@](C)(C#N)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171725221 808127081 /nfs/dbraw/zinc/12/70/81/808127081.db2.gz HYWDAHVCAHPNPQ-NJAFHUGGSA-N 1 1 285.435 3.177 20 30 CGEDMO CCCCN(CC#N)[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171759958 808131929 /nfs/dbraw/zinc/13/19/29/808131929.db2.gz ORBDQQRBBMEXJJ-WMZOPIPTSA-N 1 1 285.435 3.275 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H](C[N@H+](C)CC(=C)Cl)C1 ZINC001265394890 808138077 /nfs/dbraw/zinc/13/80/77/808138077.db2.gz KZSWWDZQVCLHEP-OAHLLOKOSA-N 1 1 298.858 3.266 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C)CCC)C1 ZINC001265386842 808138348 /nfs/dbraw/zinc/13/83/48/808138348.db2.gz NTYYYLDMFTYLNX-JKSUJKDBSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(CCCC)CC1 ZINC001265411797 808140775 /nfs/dbraw/zinc/14/07/75/808140775.db2.gz SUMGGKKIGDVAMV-IYBDPMFKSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(CCCC)CC1 ZINC001265411797 808140781 /nfs/dbraw/zinc/14/07/81/808140781.db2.gz SUMGGKKIGDVAMV-IYBDPMFKSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CCC)C(C)C ZINC001265413666 808141271 /nfs/dbraw/zinc/14/12/71/808141271.db2.gz WCIJIXHMAQRDNF-BBWFWOEESA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CCC)C(C)C ZINC001265413666 808141275 /nfs/dbraw/zinc/14/12/75/808141275.db2.gz WCIJIXHMAQRDNF-BBWFWOEESA-N 1 1 292.467 3.310 20 30 CGEDMO N#CCC[N@@H+](C1CCCC1)[C@H]1Cc2cccc(F)c2C1 ZINC001171800756 808143541 /nfs/dbraw/zinc/14/35/41/808143541.db2.gz AWRDISOBAUPHGD-HNNXBMFYSA-N 1 1 272.367 3.451 20 30 CGEDMO C=CC[N@H+](CCCOc1ccccc1C)[C@@H](C)COC ZINC001171915893 808153782 /nfs/dbraw/zinc/15/37/82/808153782.db2.gz IDBNSHYKQPBVMY-INIZCTEOSA-N 1 1 277.408 3.287 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001265577723 808157106 /nfs/dbraw/zinc/15/71/06/808157106.db2.gz MZBBYILXPZBXCQ-KRWDZBQOSA-N 1 1 290.451 3.281 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@@H]1CCC[N@H+](CC(=C)Cl)C1 ZINC001265588983 808159045 /nfs/dbraw/zinc/15/90/45/808159045.db2.gz LHUYGXWZDNKWIC-CABCVRRESA-N 1 1 298.858 3.169 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@@H]1CCC[N@@H+](CC(=C)Cl)C1 ZINC001265588983 808159047 /nfs/dbraw/zinc/15/90/47/808159047.db2.gz LHUYGXWZDNKWIC-CABCVRRESA-N 1 1 298.858 3.169 20 30 CGEDMO C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@H](C#N)C1 ZINC001171975721 808163076 /nfs/dbraw/zinc/16/30/76/808163076.db2.gz ZELGUUQIWLSHIS-DGCLKSJQSA-N 1 1 282.309 3.482 20 30 CGEDMO C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@H](C#N)C1 ZINC001171975721 808163077 /nfs/dbraw/zinc/16/30/77/808163077.db2.gz ZELGUUQIWLSHIS-DGCLKSJQSA-N 1 1 282.309 3.482 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](CC)CC(C)C ZINC001265656058 808166128 /nfs/dbraw/zinc/16/61/28/808166128.db2.gz VLGDRNQLKWLYSR-HZPDHXFCSA-N 1 1 280.456 3.215 20 30 CGEDMO CC(C)(C#N)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172060383 808168409 /nfs/dbraw/zinc/16/84/09/808168409.db2.gz ADFYIQLMOJADNL-BCDXTJNWSA-N 1 1 297.446 3.464 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CCC2CC2)C1 ZINC001265700656 808171037 /nfs/dbraw/zinc/17/10/37/808171037.db2.gz UDVCDMJQJSTGMR-ZFWWWQNUSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C1CC=C(F)C=C1N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172116589 808181183 /nfs/dbraw/zinc/18/11/83/808181183.db2.gz HXIKVULXHQVGQE-QKDCVEJESA-N 1 1 262.372 3.289 20 30 CGEDMO C=C(C)C[N@@H+](C)CCCNC(=O)c1cc2occc2s1 ZINC001265923853 808193393 /nfs/dbraw/zinc/19/33/93/808193393.db2.gz XTVWCLHXFJNXPG-UHFFFAOYSA-N 1 1 292.404 3.122 20 30 CGEDMO C=CCCC[N@H+](C)CCCNC(=O)[C@@]1(C)CCC[C@@H]1C ZINC001265919790 808193469 /nfs/dbraw/zinc/19/34/69/808193469.db2.gz VMZBPQBVUISKHE-RDJZCZTQSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccco2)C1 ZINC001266090389 808209469 /nfs/dbraw/zinc/20/94/69/808209469.db2.gz JQBMUQFUDBIBEQ-LSDHHAIUSA-N 1 1 290.407 3.171 20 30 CGEDMO COCC[C@H]1CCCC[N@H+]1[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172307501 808222808 /nfs/dbraw/zinc/22/28/08/808222808.db2.gz OUGZHQANZOYWNW-MAUKXSAKSA-N 1 1 286.419 3.380 20 30 CGEDMO CC[N@@H+](Cc1cccnc1)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172308292 808223472 /nfs/dbraw/zinc/22/34/72/808223472.db2.gz VZQHGXDZDKKCJH-HNNXBMFYSA-N 1 1 279.387 3.406 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@](C)(F)C1 ZINC001172314264 808224282 /nfs/dbraw/zinc/22/42/82/808224282.db2.gz IIIGKJGCCKYNBT-CJNGLKHVSA-N 1 1 260.356 3.313 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCN(C)CC12CCCC2 ZINC001172313116 808224393 /nfs/dbraw/zinc/22/43/93/808224393.db2.gz PFXHRIYXAXQUIP-INIZCTEOSA-N 1 1 297.446 3.049 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)N1CC[N@H+](C)CC12CCCC2 ZINC001172313116 808224399 /nfs/dbraw/zinc/22/43/99/808224399.db2.gz PFXHRIYXAXQUIP-INIZCTEOSA-N 1 1 297.446 3.049 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)N1CC[N@@H+](C)CC12CCCC2 ZINC001172313116 808224402 /nfs/dbraw/zinc/22/44/02/808224402.db2.gz PFXHRIYXAXQUIP-INIZCTEOSA-N 1 1 297.446 3.049 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@H](NC(=O)CC2CC2)C1 ZINC001266197906 808225683 /nfs/dbraw/zinc/22/56/83/808225683.db2.gz RKCPZVUUOOUFCO-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC001172319569 808229010 /nfs/dbraw/zinc/22/90/10/808229010.db2.gz OWIHWPCNMWMGJF-WQVCFCJDSA-N 1 1 254.377 3.077 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)CCCCCC)C1 ZINC001266333358 808243609 /nfs/dbraw/zinc/24/36/09/808243609.db2.gz LRVXLNQMBAIXED-DLBZAZTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)C1(C)C(C)(C)C1(C)C ZINC001266440111 808264185 /nfs/dbraw/zinc/26/41/85/808264185.db2.gz HBOLIXYHECVGRK-UHFFFAOYSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CCC1 ZINC001266453576 808269108 /nfs/dbraw/zinc/26/91/08/808269108.db2.gz HYKQTAKKBITLOF-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)C1(CC)CCC1 ZINC001266477914 808272225 /nfs/dbraw/zinc/27/22/25/808272225.db2.gz XDOFKKQXXGDPCE-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](C)C(C)C)C1 ZINC001266469892 808272254 /nfs/dbraw/zinc/27/22/54/808272254.db2.gz VPNLALIPRXNNRB-HZPDHXFCSA-N 1 1 280.456 3.025 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001266545907 808284394 /nfs/dbraw/zinc/28/43/94/808284394.db2.gz RCDPINQZJHIZSZ-HOTGVXAUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CCNC(=O)[C@@]1(C)C=CCC1)C1CC1 ZINC001266606940 808295441 /nfs/dbraw/zinc/29/54/41/808295441.db2.gz JQLJAENOTJJLNY-QAPCUYQASA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](CC[C@H](C)F)C1 ZINC001266764265 808313476 /nfs/dbraw/zinc/31/34/76/808313476.db2.gz NUIIWCFDBZFRKS-GJZGRUSLSA-N 1 1 298.446 3.165 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001266767614 808314214 /nfs/dbraw/zinc/31/42/14/808314214.db2.gz PDNMNQHCVLZHGN-HOTGVXAUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccco2)C1 ZINC001266889163 808331887 /nfs/dbraw/zinc/33/18/87/808331887.db2.gz IHODYGREWGOLKG-GJZGRUSLSA-N 1 1 290.407 3.076 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCCC2CC2)C1 ZINC001266893172 808332050 /nfs/dbraw/zinc/33/20/50/808332050.db2.gz BAHGLYFHRGQFKC-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001266893621 808332113 /nfs/dbraw/zinc/33/21/13/808332113.db2.gz CYORYQZDJQFOOT-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C[C@@H](CCCC#N)[NH2+]C1CCN(CC(C)(C)C)CC1 ZINC001172488325 808349566 /nfs/dbraw/zinc/34/95/66/808349566.db2.gz LQMSIXUWXRXNER-AWEZNQCLSA-N 1 1 265.445 3.169 20 30 CGEDMO C[C@@H](CCCC#N)[N@@H+](CCN(C)C)Cc1ccccc1 ZINC001172492032 808351399 /nfs/dbraw/zinc/35/13/99/808351399.db2.gz PVXGCUYYTQCINV-INIZCTEOSA-N 1 1 273.424 3.133 20 30 CGEDMO C[C@@H](CCCC#N)N(CC[NH+](C)C)Cc1ccccc1 ZINC001172492032 808351406 /nfs/dbraw/zinc/35/14/06/808351406.db2.gz PVXGCUYYTQCINV-INIZCTEOSA-N 1 1 273.424 3.133 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001172496829 808353952 /nfs/dbraw/zinc/35/39/52/808353952.db2.gz RUOJXHPPXAYMKK-KBPBESRZSA-N 1 1 295.427 3.010 20 30 CGEDMO C[C@H](CCCC#N)[N@@H+](Cc1ccccc1)CC(C)(C)O ZINC001172497509 808354030 /nfs/dbraw/zinc/35/40/30/808354030.db2.gz CINDYYAUBGUWHG-OAHLLOKOSA-N 1 1 274.408 3.342 20 30 CGEDMO C[C@@H](CCCC#N)[N@@H+](C)CC/C=C/c1cccnc1 ZINC001172497865 808355375 /nfs/dbraw/zinc/35/53/75/808355375.db2.gz HCJWIVWYEWYPOT-ULYATVDSSA-N 1 1 257.381 3.499 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001172498241 808356200 /nfs/dbraw/zinc/35/62/00/808356200.db2.gz KJOZJSSYZZVZDQ-IRXDYDNUSA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001172503625 808359039 /nfs/dbraw/zinc/35/90/39/808359039.db2.gz BGDXWQMLZOXPNY-BBRMVZONSA-N 1 1 276.355 3.361 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@H](C)CC)C1 ZINC001267106828 808360007 /nfs/dbraw/zinc/36/00/07/808360007.db2.gz XLIWVBWPBFKOJC-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C[C@H](CCCC#N)[N@@H+](C1CCC1)C1CCOCC1 ZINC001172505362 808360602 /nfs/dbraw/zinc/36/06/02/808360602.db2.gz MDLYCOPEPMXFIY-CYBMUJFWSA-N 1 1 250.386 3.102 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@H](Oc2cccnc2)C1 ZINC001172507282 808364765 /nfs/dbraw/zinc/36/47/65/808364765.db2.gz RTKKJQILKOSRJN-ZBFHGGJFSA-N 1 1 273.380 3.007 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001172509873 808366723 /nfs/dbraw/zinc/36/67/23/808366723.db2.gz SILWEYRCTFRHNN-NEWSRXKRSA-N 1 1 297.446 3.275 20 30 CGEDMO C=C1CCC(C(=O)NCC[N@H+](C)CC2CC(C)(C)C2)CC1 ZINC001267215804 808383900 /nfs/dbraw/zinc/38/39/00/808383900.db2.gz PGQNSBXXYOVCTM-UHFFFAOYSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@H+](C)CCNC(=O)[C@@H]1CCCC[C@@H]1CC ZINC001267224346 808385447 /nfs/dbraw/zinc/38/54/47/808385447.db2.gz CKCDGJJSNYUQBN-JKSUJKDBSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC[N@H+](C)CCNC(=O)[C@H](CC)CC1CCCCC1 ZINC001267220201 808386743 /nfs/dbraw/zinc/38/67/43/808386743.db2.gz LQIUMYYWFRBYNS-MRXNPFEDSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)c1cc(F)ccc1C ZINC001267247009 808396010 /nfs/dbraw/zinc/39/60/10/808396010.db2.gz WSKWEKKOODXYJZ-UHFFFAOYSA-N 1 1 292.398 3.152 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)CCCCC ZINC001267260178 808399055 /nfs/dbraw/zinc/39/90/55/808399055.db2.gz FVLAWHJMXWTNAU-HNNXBMFYSA-N 1 1 266.429 3.114 20 30 CGEDMO C#CCCCCCC(=O)NC[C@@H]1CCC[N@@H+]1CC=C(C)C ZINC001267271682 808400806 /nfs/dbraw/zinc/40/08/06/808400806.db2.gz AFMBIVSFCBIVIR-KRWDZBQOSA-N 1 1 290.451 3.117 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@H]2CC[N@H+](CCCC(C)C)C2)C1 ZINC001267301841 808408423 /nfs/dbraw/zinc/40/84/23/808408423.db2.gz HASHYMAEIWWSFH-MRXNPFEDSA-N 1 1 292.467 3.217 20 30 CGEDMO CC1(C)CC([N@@H+]2CCCC[C@@H]2C#N)CC(C)(C)O1 ZINC001172659433 808412143 /nfs/dbraw/zinc/41/21/43/808412143.db2.gz WMBXOKMMJOEUNI-GFCCVEGCSA-N 1 1 250.386 3.101 20 30 CGEDMO CC1(C)CC([N@H+]2CCCC[C@@H]2C#N)CC(C)(C)O1 ZINC001172659433 808412148 /nfs/dbraw/zinc/41/21/48/808412148.db2.gz WMBXOKMMJOEUNI-GFCCVEGCSA-N 1 1 250.386 3.101 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001267423634 808425181 /nfs/dbraw/zinc/42/51/81/808425181.db2.gz RRJUZWJGVMHZRB-BHYGNILZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)C[C@@H]2C=CCC2)C1 ZINC001267500577 808434698 /nfs/dbraw/zinc/43/46/98/808434698.db2.gz GUZARBHSIASNBZ-SJORKVTESA-N 1 1 290.451 3.137 20 30 CGEDMO CCCC[N@@H+](CCC#N)[C@H]1CCC[C@H](C(=O)OC)CC1 ZINC001172790619 808439907 /nfs/dbraw/zinc/43/99/07/808439907.db2.gz CMOZZRKTQGKRBU-GJZGRUSLSA-N 1 1 280.412 3.124 20 30 CGEDMO C=CC[N@H+]([C@H]1CCC[C@H](C(=O)OC)CC1)C(C)(C)C ZINC001172803849 808442189 /nfs/dbraw/zinc/44/21/89/808442189.db2.gz RDHUGRUEVYFXLJ-KBPBESRZSA-N 1 1 267.413 3.395 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)CCC2CCCC2)C1 ZINC001267549797 808444710 /nfs/dbraw/zinc/44/47/10/808444710.db2.gz JFVVCWXNIXGPCE-QGZVFWFLSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001267576277 808449571 /nfs/dbraw/zinc/44/95/71/808449571.db2.gz PZABGCSNXZMJNJ-BRWVUGGUSA-N 1 1 292.467 3.073 20 30 CGEDMO Cc1ccc2c(c1)C[C@H]([N@H+]1CCC3SC(=O)C=C3C1)CC2 ZINC001172829151 808450172 /nfs/dbraw/zinc/45/01/72/808450172.db2.gz ATTNQKCFWVVIHT-IAGOWNOFSA-N 1 1 299.439 3.126 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@]2(C)CC=CCC2)C1 ZINC001267584241 808453012 /nfs/dbraw/zinc/45/30/12/808453012.db2.gz YUJZQLJSUWIHMT-WMZOPIPTSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC[N@H+](C)CC1CCN(C(=O)CC[C@@H](C)CC)CC1 ZINC001267602780 808457367 /nfs/dbraw/zinc/45/73/67/808457367.db2.gz KZOFHWLOCWZGTJ-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)CCC2CCCC2)C1 ZINC001267626733 808460331 /nfs/dbraw/zinc/46/03/31/808460331.db2.gz ZJOBBBFEMWEOQI-QGZVFWFLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(C)c1 ZINC001267705865 808473755 /nfs/dbraw/zinc/47/37/55/808473755.db2.gz QQNGMVULOAHFGB-ROUUACIJSA-N 1 1 298.430 3.136 20 30 CGEDMO C#CCCCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCCC ZINC001267711268 808474170 /nfs/dbraw/zinc/47/41/70/808474170.db2.gz POWKBCYGHRGVEO-IRXDYDNUSA-N 1 1 290.451 3.045 20 30 CGEDMO N#C[C@@H]1CCC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172912456 808477543 /nfs/dbraw/zinc/47/75/43/808477543.db2.gz ANECEFIVSGLFGE-XJKSGUPXSA-N 1 1 299.374 3.078 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172922172 808480785 /nfs/dbraw/zinc/48/07/85/808480785.db2.gz WROLDUYYIKYJKI-YOEHRIQHSA-N 1 1 298.386 3.187 20 30 CGEDMO C=CCC(CC=C)C(=O)N(C)[C@H]1CC[N@H+](CCCC)C1 ZINC001267763547 808486409 /nfs/dbraw/zinc/48/64/09/808486409.db2.gz NPXMXISWBZVCEM-INIZCTEOSA-N 1 1 278.440 3.088 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](F)CC)C1 ZINC001267770916 808488786 /nfs/dbraw/zinc/48/87/86/808488786.db2.gz VEMGWGSHZBJNJK-GJZGRUSLSA-N 1 1 286.435 3.238 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)C=C2CCCCC2)C1 ZINC001267781212 808489755 /nfs/dbraw/zinc/48/97/55/808489755.db2.gz DQFBSYKTCSKFIL-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccsc2)C1 ZINC001267780640 808490385 /nfs/dbraw/zinc/49/03/85/808490385.db2.gz RZGJCSPROSYMCE-HNNXBMFYSA-N 1 1 292.448 3.251 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)C/C=C(/C)C=C)C1 ZINC001267791771 808493624 /nfs/dbraw/zinc/49/36/24/808493624.db2.gz QPSIHXKVEWRUSI-QOBZYLRHSA-N 1 1 276.424 3.008 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H](C)C2CCCC2)C1 ZINC001267789692 808493946 /nfs/dbraw/zinc/49/39/46/808493946.db2.gz JZFWJISJMQDCEF-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H](C)CCCCCC)C1 ZINC001267791563 808494482 /nfs/dbraw/zinc/49/44/82/808494482.db2.gz VMSLVSDHOIDMAE-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCCC[N@H+](C)[C@@H]1CCc2ncsc2C1 ZINC001173140783 808525257 /nfs/dbraw/zinc/52/52/57/808525257.db2.gz JKUAPCRKBNYBHR-GFCCVEGCSA-N 1 1 250.411 3.289 20 30 CGEDMO C=CCOC1CCC([N@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)CC1 ZINC001173319245 808610266 /nfs/dbraw/zinc/61/02/66/808610266.db2.gz BJXWCVIDNNJILP-GQGLESIBSA-N 1 1 291.435 3.334 20 30 CGEDMO C=CCOC1CCC([N@H+]2CCC[C@@]3(CCOC3)C2)CC1 ZINC001173321795 808611418 /nfs/dbraw/zinc/61/14/18/808611418.db2.gz PKWXUGKWGYDPJQ-OFLPRAFFSA-N 1 1 279.424 3.003 20 30 CGEDMO C=CCOC1CCC([N@H+]2CCC[C@H]2c2ncccn2)CC1 ZINC001173325644 808612494 /nfs/dbraw/zinc/61/24/94/808612494.db2.gz OOYLOBFQQJSORO-GPANFISMSA-N 1 1 287.407 3.127 20 30 CGEDMO Cc1nc([C@H]2CCC[N@H+](C3CCC(CC#N)CC3)C2)no1 ZINC001173332346 808615922 /nfs/dbraw/zinc/61/59/22/808615922.db2.gz ZMWNMLTXKUEURU-SLTAFYQDSA-N 1 1 288.395 3.030 20 30 CGEDMO Cc1ccc(C[N@H+](C)C2CCC(CC#N)CC2)cn1 ZINC001173336642 808617211 /nfs/dbraw/zinc/61/72/11/808617211.db2.gz HLHYNKOZDOEDAN-UHFFFAOYSA-N 1 1 257.381 3.294 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)C1CCC(CC#N)CC1 ZINC001173335168 808617915 /nfs/dbraw/zinc/61/79/15/808617915.db2.gz FDSLMFDBGCCXDJ-UHFFFAOYSA-N 1 1 267.376 3.463 20 30 CGEDMO C[N@@H+](CC1CC(F)(F)C1)C1CCC(CC#N)CC1 ZINC001173337589 808618792 /nfs/dbraw/zinc/61/87/92/808618792.db2.gz PILFOWARIGZUHO-UHFFFAOYSA-N 1 1 256.340 3.436 20 30 CGEDMO C#Cc1ccc(C(=O)N[C@H](C)C[N@H+](C)CC/C=C/CC)cc1 ZINC001268741807 808619801 /nfs/dbraw/zinc/61/98/01/808619801.db2.gz YOJSUENYNGCNEK-KXPUMZMLSA-N 1 1 298.430 3.074 20 30 CGEDMO COC(C)(C)[C@@H]1CCC[N@H+]1C1CCC(CC#N)CC1 ZINC001173340121 808619839 /nfs/dbraw/zinc/61/98/39/808619839.db2.gz YVDAWLMUPMDKHO-NRXISQOPSA-N 1 1 264.413 3.348 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H](C)C[N@H+](C)CC(CC)CC)C1 ZINC001268747632 808621836 /nfs/dbraw/zinc/62/18/36/808621836.db2.gz SWSVKIBSFOQDMS-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)C1CCC(C)(C)CC1 ZINC001268760728 808626028 /nfs/dbraw/zinc/62/60/28/808626028.db2.gz XHHSNLARLGPPPA-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO CCCC[N@@H+](CCC#N)[C@H](C)CCCCC(=O)OC ZINC001173454598 808639804 /nfs/dbraw/zinc/63/98/04/808639804.db2.gz GQYZATTTZRYAGD-CQSZACIVSA-N 1 1 268.401 3.124 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H](NC(=O)c2coc3ccccc23)C1 ZINC001269096890 808646962 /nfs/dbraw/zinc/64/69/62/808646962.db2.gz GRZVPBLQGCXGIA-AWEZNQCLSA-N 1 1 298.386 3.203 20 30 CGEDMO COc1cccc2c1C[N@H+](C1CCC(C)(C#N)CC1)C2 ZINC001173598939 808651010 /nfs/dbraw/zinc/65/10/10/808651010.db2.gz WQNXZSSLDYSUPE-UHFFFAOYSA-N 1 1 270.376 3.483 20 30 CGEDMO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173600187 808651143 /nfs/dbraw/zinc/65/11/43/808651143.db2.gz WQVGQZGXONCFAC-UUCFBXCCSA-N 1 1 292.423 3.265 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CC[C@H](C(F)(F)F)C2)CC1 ZINC001173597686 808651547 /nfs/dbraw/zinc/65/15/47/808651547.db2.gz DOPXIIMXUNECDF-UNXYVOJBSA-N 1 1 260.303 3.343 20 30 CGEDMO C=C(C)CCC(=O)N(C)[C@@H]1CC[N@H+](CCCCCC)C1 ZINC001269246197 808659839 /nfs/dbraw/zinc/65/98/39/808659839.db2.gz TYGSYWQFGWCQCS-MRXNPFEDSA-N 1 1 280.456 3.456 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CCC(=C)C)C1 ZINC001269245589 808660388 /nfs/dbraw/zinc/66/03/88/808660388.db2.gz JOVMADBJGQGLCK-JKSUJKDBSA-N 1 1 278.440 3.230 20 30 CGEDMO C=CCC(C)(C)C(=O)N(C)[C@H]1CC[N@H+](CC2CC(C)C2)C1 ZINC001269279727 808663307 /nfs/dbraw/zinc/66/33/07/808663307.db2.gz CLMRXKASHIZZQN-GPANFISMSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]1CNC(=O)CC/C=C/c1ccccc1 ZINC001269293081 808665332 /nfs/dbraw/zinc/66/53/32/808665332.db2.gz UYTLTFIYHDCRKN-DBEXCURXSA-N 1 1 298.430 3.247 20 30 CGEDMO C=CC[N@@H+](CCNC(=O)c1ccoc1)C1CCCCCC1 ZINC001269605558 808691448 /nfs/dbraw/zinc/69/14/48/808691448.db2.gz SSOKHRMSXOXBSH-UHFFFAOYSA-N 1 1 290.407 3.220 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)CC(C)=C(C)C)C2)C1 ZINC001269737856 808702903 /nfs/dbraw/zinc/70/29/03/808702903.db2.gz VZQRURRHUMUVQT-GOSISDBHSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)CCC(C)C)CC1 ZINC001270206995 808721796 /nfs/dbraw/zinc/72/17/96/808721796.db2.gz ARLUYYSOWCUNSL-UHFFFAOYSA-N 1 1 286.847 3.146 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@](C)(CNC(=O)CC2CC2)C1 ZINC001270932820 808754006 /nfs/dbraw/zinc/75/40/06/808754006.db2.gz PHZXPRJUBFUBET-CRAIPNDOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCC(=O)NC[C@]1(C)CCC[N@@H+](CCC=C)C1 ZINC001270983707 808757251 /nfs/dbraw/zinc/75/72/51/808757251.db2.gz RVVDXSLPEZHZKL-KRWDZBQOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@]1(C)CCC[N@H+](CCC(C)C)C1 ZINC001270982311 808757398 /nfs/dbraw/zinc/75/73/98/808757398.db2.gz HSAKYYUYWVZEIS-SFHVURJKSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](F)C(C)C)C1 ZINC001270982047 808758248 /nfs/dbraw/zinc/75/82/48/808758248.db2.gz FCLSPSDMZZIMQE-WBVHZDCISA-N 1 1 298.446 3.165 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CN(C(=O)[C@H](C)CCC(C)(C)C)C[C@H]2C1 ZINC001271893028 808788396 /nfs/dbraw/zinc/78/83/96/808788396.db2.gz ZYZZRNGFAIVAHW-OAGGEKHMSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2C/C=C/Cl ZINC001272032978 808793605 /nfs/dbraw/zinc/79/36/05/808793605.db2.gz GSQUNQJHWYBDIF-ILJFBXALSA-N 1 1 296.842 3.161 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](C)CCCC)[C@@H]2C1 ZINC001272071856 808796143 /nfs/dbraw/zinc/79/61/43/808796143.db2.gz OMJHPDUJLAOHBE-IXDOHACOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C3CCCC3)CC[C@H]21 ZINC001272193145 808801314 /nfs/dbraw/zinc/80/13/14/808801314.db2.gz GHYHIWFGYKTTNO-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC(C)C)CC[C@H]21 ZINC001272222907 808801977 /nfs/dbraw/zinc/80/19/77/808801977.db2.gz AVHHBYKMBCZTIL-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCCCCCC ZINC001272475899 808811778 /nfs/dbraw/zinc/81/17/78/808811778.db2.gz FRXOAXVKPOXBID-HZPDHXFCSA-N 1 1 278.440 3.208 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](F)CC ZINC001272675082 808820125 /nfs/dbraw/zinc/82/01/25/808820125.db2.gz GHTISZIWZCSZCE-INIZCTEOSA-N 1 1 292.398 3.059 20 30 CGEDMO C=C(C)CN1CC[C@]2(CCC[N@@H+]2CCC/C=C\CC)C1=O ZINC001273117298 808834345 /nfs/dbraw/zinc/83/43/45/808834345.db2.gz ZNYPFUFFGIZNSK-OOFWQKGWSA-N 1 1 290.451 3.376 20 30 CGEDMO N#Cc1c(F)cccc1Nc1cc[nH+]c2ccccc12 ZINC001174038047 808835316 /nfs/dbraw/zinc/83/53/16/808835316.db2.gz GPKKZXUXKWNFPD-UHFFFAOYSA-N 1 1 263.275 3.411 20 30 CGEDMO N#Cc1cc(Nc2cc[nH+]c3ccccc23)ccc1F ZINC001174038951 808837188 /nfs/dbraw/zinc/83/71/88/808837188.db2.gz UMCUHIBDQYKCES-UHFFFAOYSA-N 1 1 263.275 3.411 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@]12CCN(C1CCCC1)C2=O ZINC001273494771 808848275 /nfs/dbraw/zinc/84/82/75/808848275.db2.gz FIXTZAQGAWCZSZ-GOSISDBHSA-N 1 1 290.451 3.352 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@]2(CCN(CC(=C)C)C2=O)CC1 ZINC001273487771 808848781 /nfs/dbraw/zinc/84/87/81/808848781.db2.gz QNGXPUJNAQOUML-GOSISDBHSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)CN1CC[C@]2(CCC[N@H+](C3CCCC3)CC2)C1=O ZINC001274025087 808866033 /nfs/dbraw/zinc/86/60/33/808866033.db2.gz OSVXCCUHELVCOP-GOSISDBHSA-N 1 1 290.451 3.210 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C2CC2)C(C)(C)C1 ZINC001274426148 808876542 /nfs/dbraw/zinc/87/65/42/808876542.db2.gz QXDQKZOOQCHGIL-ZBFHGGJFSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C=C1CCCCC1 ZINC001275093217 808906980 /nfs/dbraw/zinc/90/69/80/808906980.db2.gz CSOQSZBFQQUSOZ-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO Cc1csc(Nc2ccc3[nH+]ccn3c2)c1C#N ZINC001174275593 808921382 /nfs/dbraw/zinc/92/13/82/808921382.db2.gz BMQNAXPCMAOAJN-UHFFFAOYSA-N 1 1 254.318 3.320 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)CCC(C)(C)C ZINC001275699018 808958214 /nfs/dbraw/zinc/95/82/14/808958214.db2.gz VEXIOHIBXKJEDV-LSDHHAIUSA-N 1 1 282.472 3.461 20 30 CGEDMO N#Cc1ccc(CN2CC[C@H]3[C@@H]2CC[N@H+]3C2CCCC2)cc1 ZINC001275829103 808969908 /nfs/dbraw/zinc/96/99/08/808969908.db2.gz PZPHVGFZXXYXTH-OALUTQOASA-N 1 1 295.430 3.149 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[N@H+](C)CCCC(C)C ZINC001275897891 808973726 /nfs/dbraw/zinc/97/37/26/808973726.db2.gz WYNOGSOBVAQXPZ-OAHLLOKOSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)c1cccs1 ZINC001275928191 808976843 /nfs/dbraw/zinc/97/68/43/808976843.db2.gz GVWKQJJOQRSCQI-KGLIPLIRSA-N 1 1 294.464 3.254 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)c1ccoc1CCC ZINC001275976626 808981263 /nfs/dbraw/zinc/98/12/63/808981263.db2.gz GHDGSXPJRDVCDA-AWEZNQCLSA-N 1 1 292.423 3.248 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCCC1(C)C ZINC001276010793 808983299 /nfs/dbraw/zinc/98/32/99/808983299.db2.gz KEZZGRFZOLQHJX-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCCC1(C)C ZINC001276010792 808983711 /nfs/dbraw/zinc/98/37/11/808983711.db2.gz KEZZGRFZOLQHJX-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CC=C(C)C)CC1(C)C ZINC001276608947 809021074 /nfs/dbraw/zinc/02/10/74/809021074.db2.gz TXXGZPIBIGCRFA-QAPCUYQASA-N 1 1 292.467 3.382 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccsc1 ZINC001276915515 809042764 /nfs/dbraw/zinc/04/27/64/809042764.db2.gz BSXWEHXSDKXNDC-GOEBONIOSA-N 1 1 292.448 3.041 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccsc1 ZINC001276915515 809042770 /nfs/dbraw/zinc/04/27/70/809042770.db2.gz BSXWEHXSDKXNDC-GOEBONIOSA-N 1 1 292.448 3.041 20 30 CGEDMO C=CCCCC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)c1ccccc1 ZINC001276908629 809042782 /nfs/dbraw/zinc/04/27/82/809042782.db2.gz JBMRCAZYTGVHFQ-WBVHZDCISA-N 1 1 286.419 3.294 20 30 CGEDMO C=CCCCC(=O)NC[C@H]1CC[N@@H+]1[C@@H](C)c1ccccc1 ZINC001276908622 809044079 /nfs/dbraw/zinc/04/40/79/809044079.db2.gz JBMRCAZYTGVHFQ-DOTOQJQBSA-N 1 1 286.419 3.294 20 30 CGEDMO N#Cc1cccc(N2CC[C@H]3C[N@H+](C4CCCC4)C[C@H]32)c1 ZINC001276953460 809049275 /nfs/dbraw/zinc/04/92/75/809049275.db2.gz LGOQWCMOBMBCKS-MAUKXSAKSA-N 1 1 281.403 3.011 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H]2C[C@@]2(C(=O)N(CC)C(C)C)C1 ZINC001277150572 809059234 /nfs/dbraw/zinc/05/92/34/809059234.db2.gz AJCYNFPUGNDWMB-SJLPKXTDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)C3(C)CC3)C2)C1 ZINC001277464678 809076154 /nfs/dbraw/zinc/07/61/54/809076154.db2.gz HPUGHCHMEGMPPL-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO CCc1cc(CN[C@@]23CC[C@@]([NH2+]C)(C2)CCC3)ccc1C#N ZINC001278038170 809112835 /nfs/dbraw/zinc/11/28/35/809112835.db2.gz VLUHBMVKEZFTFT-MOPGFXCFSA-N 1 1 297.446 3.275 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C/C=C(\C)C=C)[C@H]1C ZINC001278516042 809138503 /nfs/dbraw/zinc/13/85/03/809138503.db2.gz NHWWAGPDNWWUHT-HZWIXDFKSA-N 1 1 276.424 3.054 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CCC[N@H+](CCC)[C@@H]2C)CCC1 ZINC001278522481 809140696 /nfs/dbraw/zinc/14/06/96/809140696.db2.gz YDTIVXHVPHZMEP-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)[C@@H]1CCCC2(CC2)C1)C(C)C ZINC001278908735 809155738 /nfs/dbraw/zinc/15/57/38/809155738.db2.gz XJRHEZGYOHNAGE-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)Nc1c(C)[nH+]c2ccc(Br)cn21 ZINC001174790365 809163919 /nfs/dbraw/zinc/16/39/19/809163919.db2.gz RVNHAMFULXIIDH-UHFFFAOYSA-N 1 1 266.142 3.351 20 30 CGEDMO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)/C(C)=C/C)C2 ZINC001279212754 809167440 /nfs/dbraw/zinc/16/74/40/809167440.db2.gz GTJYNGNEZQVNQF-IFMQZKIUSA-N 1 1 296.842 3.064 20 30 CGEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)C(C)C)C2 ZINC001279223129 809167623 /nfs/dbraw/zinc/16/76/23/809167623.db2.gz ZSXXOADPAIAKQU-MUJYYYPQSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](CC)CCCC ZINC001279539942 809173155 /nfs/dbraw/zinc/17/31/55/809173155.db2.gz DXZQAWNFQRJGKV-IXDOHACOSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CNC(=O)CC(C)=C(C)C)CC1 ZINC001279615546 809175497 /nfs/dbraw/zinc/17/54/97/809175497.db2.gz VPGJENHUQRAXAX-UHFFFAOYSA-N 1 1 290.451 3.447 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)C[C@@H]2CC[C@H](C)C2)CC1 ZINC001279613326 809176494 /nfs/dbraw/zinc/17/64/94/809176494.db2.gz BJOJJBLUFYINST-DOTOQJQBSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CCc2ccc(F)c(F)c2)C1 ZINC001174890830 809191790 /nfs/dbraw/zinc/19/17/90/809191790.db2.gz MQLLAQCTQQCVLF-CYBMUJFWSA-N 1 1 251.320 3.405 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)CCCC#CC)CC1 ZINC001280757379 809197260 /nfs/dbraw/zinc/19/72/60/809197260.db2.gz WAUCPSRUBFSGHV-QGZVFWFLSA-N 1 1 290.451 3.117 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)CC(C)C)CC1 ZINC001280768695 809197287 /nfs/dbraw/zinc/19/72/87/809197287.db2.gz AZYKREPZIODEGR-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CCC[N@H+](C(C)C)CC2)CCC1 ZINC001280756857 809197664 /nfs/dbraw/zinc/19/76/64/809197664.db2.gz PGIOVAKTHTWHKY-OAHLLOKOSA-N 1 1 278.440 3.112 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CCCC[C@H](C)CC)CC1 ZINC001280747560 809197858 /nfs/dbraw/zinc/19/78/58/809197858.db2.gz SHEYIQCOTCBANC-IAGOWNOFSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)[C@H]1C[C@@]1(C)C(C)C ZINC001280872554 809203207 /nfs/dbraw/zinc/20/32/07/809203207.db2.gz GSJBDQDYKMPBLZ-AEFFLSMTSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H](C=C)CC)C2 ZINC001281086473 809206037 /nfs/dbraw/zinc/20/60/37/809206037.db2.gz DALKNZKHXDIYFI-FUHWJXTLSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCCC[N@@H+]1Cc2ccc(CNC(=O)C(C)C)cc2C1 ZINC001281284745 809207084 /nfs/dbraw/zinc/20/70/84/809207084.db2.gz HWDMTCYEWRXNKQ-UHFFFAOYSA-N 1 1 286.419 3.241 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)C2CCC2)C(C)(C)C1 ZINC001281537219 809213821 /nfs/dbraw/zinc/21/38/21/809213821.db2.gz VKSBJFFNCKXRMI-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C=C(CC)CC)C[C@H]1C ZINC001281656889 809216750 /nfs/dbraw/zinc/21/67/50/809216750.db2.gz AUVKVIJDLIYXJX-UKRRQHHQSA-N 1 1 298.858 3.454 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C=C(CC)CC)C[C@H]1C ZINC001281656889 809216755 /nfs/dbraw/zinc/21/67/55/809216755.db2.gz AUVKVIJDLIYXJX-UKRRQHHQSA-N 1 1 298.858 3.454 20 30 CGEDMO C=CCC[N@H+](CC)CC1CCN(C(=O)[C@H](C)C(C)C)CC1 ZINC001281840066 809220790 /nfs/dbraw/zinc/22/07/90/809220790.db2.gz IVVHXXUFPRIOEA-MRXNPFEDSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC1(C)C ZINC001282448818 809247985 /nfs/dbraw/zinc/24/79/85/809247985.db2.gz DHUPPLZLFGOTOX-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@]1(C)CC=CCC1 ZINC001282666163 809258565 /nfs/dbraw/zinc/25/85/65/809258565.db2.gz JIWFZOWVQAIJBB-FUHWJXTLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)CCCF)CC1 ZINC001283320512 809275565 /nfs/dbraw/zinc/27/55/65/809275565.db2.gz XDRKFSAYPGRGIK-AWEZNQCLSA-N 1 1 284.419 3.014 20 30 CGEDMO C=CCCCC(=O)N[C@@]12CCC[C@@H]1[N@@H+](CCCC)CC2 ZINC001284070330 809294921 /nfs/dbraw/zinc/29/49/21/809294921.db2.gz SMZKTWKBNINHFB-DOTOQJQBSA-N 1 1 278.440 3.256 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)C(C)(C)C2CC2)CC1 ZINC001284949134 809321978 /nfs/dbraw/zinc/32/19/78/809321978.db2.gz QAZBXACMMAWXSM-UHFFFAOYSA-N 1 1 290.451 3.137 20 30 CGEDMO Cc1cc(C#N)c(NC2=CCC[N@H+](C)C2)cc1Cl ZINC001175582930 809463135 /nfs/dbraw/zinc/46/31/35/809463135.db2.gz QMRSBQYACMWRDW-UHFFFAOYSA-N 1 1 261.756 3.151 20 30 CGEDMO C=CCCC[N@@H+]1Cc2ccccc2N2CCC[C@H]2C1 ZINC001175669127 809499140 /nfs/dbraw/zinc/49/91/40/809499140.db2.gz LEBBABCPYXDZCG-INIZCTEOSA-N 1 1 256.393 3.437 20 30 CGEDMO C=CCC1(C(=O)N2CC[N@H+](C)[C@@H](C(C)(C)C)C2)CCCC1 ZINC001300098480 809561408 /nfs/dbraw/zinc/56/14/08/809561408.db2.gz YTRYYXKTUZKPSZ-OAHLLOKOSA-N 1 1 292.467 3.312 20 30 CGEDMO CCCCCCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001301252910 809580853 /nfs/dbraw/zinc/58/08/53/809580853.db2.gz YTFZXTBNFFGOJK-MRXNPFEDSA-N 1 1 276.424 3.376 20 30 CGEDMO C[C@H]([NH2+]Cc1cc2c(cc[nH]c2=O)o1)c1ccc(C#N)cc1 ZINC001177524432 809803866 /nfs/dbraw/zinc/80/38/66/809803866.db2.gz DHXKULNUHHTIJW-NSHDSACASA-N 1 1 293.326 3.256 20 30 CGEDMO Cc1ccc(C[NH2+][C@@H](C)CC#N)c(C)c1Br ZINC001179478401 809924355 /nfs/dbraw/zinc/92/43/55/809924355.db2.gz ATAFIWWNHWQRLM-JTQLQIEISA-N 1 1 281.197 3.458 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc2nonc2c1 ZINC001180505234 810007182 /nfs/dbraw/zinc/00/71/82/810007182.db2.gz LCWLPNKQPQKQHV-UHFFFAOYSA-N 1 1 285.372 3.473 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2ccn(CC)n2)CCCC1(C)C ZINC001181297055 810046925 /nfs/dbraw/zinc/04/69/25/810046925.db2.gz KOWOLVIAPDFBAU-HNNXBMFYSA-N 1 1 261.413 3.470 20 30 CGEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1C[C@H](C2CC2)[C@H]1C1CC1 ZINC001181872004 810077327 /nfs/dbraw/zinc/07/73/27/810077327.db2.gz ZLLGCEPOTXEJHZ-IEBWSBKVSA-N 1 1 295.430 3.245 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2c(Cl)ccnc2F)C1 ZINC001182545133 810114427 /nfs/dbraw/zinc/11/44/27/810114427.db2.gz UPVFZBOGVQKYGF-NSHDSACASA-N 1 1 266.747 3.109 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2c(Cl)ccnc2F)C1 ZINC001182545133 810114431 /nfs/dbraw/zinc/11/44/31/810114431.db2.gz UPVFZBOGVQKYGF-NSHDSACASA-N 1 1 266.747 3.109 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)CSC(C)C)C1 ZINC001188965440 810528615 /nfs/dbraw/zinc/52/86/15/810528615.db2.gz GNHVTEGHTFXTLE-CABCVRRESA-N 1 1 298.496 3.015 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)CCSCC)C1 ZINC001189092500 810543228 /nfs/dbraw/zinc/54/32/28/810543228.db2.gz FVXHJYLMMLDCHH-GJZGRUSLSA-N 1 1 298.496 3.017 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]([N@@H+](C)CCC2=CCCCC2)C1 ZINC001189319310 810559082 /nfs/dbraw/zinc/55/90/82/810559082.db2.gz WYVXVLGLALJZPA-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)CCCC(C)(C)C)C1 ZINC001189379083 810565124 /nfs/dbraw/zinc/56/51/24/810565124.db2.gz GGMUEJQTBPATLZ-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)/C=C/C2CC2)C1 ZINC001189539287 810576376 /nfs/dbraw/zinc/57/63/76/810576376.db2.gz ZEHYFVVNIDQGNO-SXSDINLZSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C2C(C)(C)C2(C)C)C1 ZINC001189557173 810577253 /nfs/dbraw/zinc/57/72/53/810577253.db2.gz QZKZAPJNMIDMGK-CQSZACIVSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)CCCC)C1 ZINC001189974086 810599525 /nfs/dbraw/zinc/59/95/25/810599525.db2.gz SXBYFIIMNDONFU-GXTWGEPZSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)CCCC)C1 ZINC001189974086 810599529 /nfs/dbraw/zinc/59/95/29/810599529.db2.gz SXBYFIIMNDONFU-GXTWGEPZSA-N 1 1 286.847 3.098 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C(C)=C2CCC2)C1 ZINC001190025164 810603109 /nfs/dbraw/zinc/60/31/09/810603109.db2.gz OMMBYUKSKIJQBN-WMLDXEAASA-N 1 1 290.451 3.374 20 30 CGEDMO CCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190084847 810606878 /nfs/dbraw/zinc/60/68/78/810606878.db2.gz SUUHMQTXZFPPLU-MRXNPFEDSA-N 1 1 292.467 3.149 20 30 CGEDMO C#CCOCC[N@@H+](Cc1cccc(Cl)c1)C(C)C ZINC001190365457 810622808 /nfs/dbraw/zinc/62/28/08/810622808.db2.gz KPIVFVQAHQVGSD-UHFFFAOYSA-N 1 1 265.784 3.200 20 30 CGEDMO CCCCCCCCC[N@@H+](C)C[C@@H]1CCc2ncnn21 ZINC001190495510 810630980 /nfs/dbraw/zinc/63/09/80/810630980.db2.gz SAFHDHPQTJHVFZ-HNNXBMFYSA-N 1 1 278.444 3.448 20 30 CGEDMO C#CC[N@H+](C[C@H](OC)C1CCC1)[C@H]1CCc2ccccc21 ZINC001190529582 810632687 /nfs/dbraw/zinc/63/26/87/810632687.db2.gz UCYYSEOMXKJSDX-OALUTQOASA-N 1 1 283.415 3.424 20 30 CGEDMO C#CCOCC[N@@H+](CCc1ccccc1F)[C@@H](C)CC ZINC001190616876 810638982 /nfs/dbraw/zinc/63/89/82/810638982.db2.gz UFIUIMRAPZFHHL-HNNXBMFYSA-N 1 1 277.383 3.119 20 30 CGEDMO C#CC[N@H+](C[C@H](O)[C@H](C)c1ccccc1)C1CCCCC1 ZINC001190699197 810643180 /nfs/dbraw/zinc/64/31/80/810643180.db2.gz GAJYEDGWVNYPLX-APWZRJJASA-N 1 1 285.431 3.419 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)C(C)(C)C)C1 ZINC001190932679 810656965 /nfs/dbraw/zinc/65/69/65/810656965.db2.gz AXNOGFHRPNKVRI-HUUCEWRRSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCCCC[N@H+](C)CCn1cc(Cl)cn1 ZINC001191131818 810680787 /nfs/dbraw/zinc/68/07/87/810680787.db2.gz HVRBIYYUDBHNFQ-UHFFFAOYSA-N 1 1 255.793 3.215 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)C2(CC(C)C)CCC2)C1 ZINC001191295990 810698660 /nfs/dbraw/zinc/69/86/60/810698660.db2.gz PEFLMRZFRSEHAJ-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCC[N@H+](CCO)[C@@H]1CCc2ccccc21 ZINC001191306907 810700317 /nfs/dbraw/zinc/70/03/17/810700317.db2.gz REGAMGAFPKAJGV-QGZVFWFLSA-N 1 1 259.393 3.325 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)C2(C3CCC3)CCC2)C1 ZINC001191577880 810726790 /nfs/dbraw/zinc/72/67/90/810726790.db2.gz XNYXARBWHWJFPQ-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)CCCCCF)C1 ZINC001191683811 810730089 /nfs/dbraw/zinc/73/00/89/810730089.db2.gz KTIFXNXCBFMFFF-OAHLLOKOSA-N 1 1 298.446 3.261 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C2(C)CCC2)C1 ZINC001191755919 810736984 /nfs/dbraw/zinc/73/69/84/810736984.db2.gz ZVWFYWBADXYCTJ-GJZGRUSLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)c2cocc2C)C1 ZINC001191772460 810738999 /nfs/dbraw/zinc/73/89/99/810738999.db2.gz OYDUTZUOZNHJHM-HUUCEWRRSA-N 1 1 290.407 3.089 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC2(C)C)C1 ZINC001191781686 810740638 /nfs/dbraw/zinc/74/06/38/810740638.db2.gz SMJRIQGSEOKYBQ-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C/C(C)=C\CC(=O)N1CC[C@H]([N@@H+](C)CCC(=C)C)C1 ZINC001191827350 810747829 /nfs/dbraw/zinc/74/78/29/810747829.db2.gz DFANJDHSQDERLM-UJPCXNRSSA-N 1 1 276.424 3.008 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC[C@@H]([N@@H+](C)CCC(=C)C)C1 ZINC001191890076 810754494 /nfs/dbraw/zinc/75/44/94/810754494.db2.gz NPDFJWIYIMZUJZ-JKSUJKDBSA-N 1 1 278.440 3.088 20 30 CGEDMO CC#CCCCC(=O)N1CC[C@@H]([N@H+](C)CCCCCC)C1 ZINC001191868343 810754815 /nfs/dbraw/zinc/75/48/15/810754815.db2.gz RXTORUPZAITAET-QGZVFWFLSA-N 1 1 292.467 3.293 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C2(C)CCCCC2)C1 ZINC001192161083 810771905 /nfs/dbraw/zinc/77/19/05/810771905.db2.gz HCHCNIBRMXCDSM-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C2(CCC)CC2)C1 ZINC001192256679 810781573 /nfs/dbraw/zinc/78/15/73/810781573.db2.gz JACMKYOIKFUVIS-HZPDHXFCSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001192434270 810797270 /nfs/dbraw/zinc/79/72/70/810797270.db2.gz BBAWZMHZTQDGFV-IXDOHACOSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)CC=C)C1 ZINC001192587056 810808854 /nfs/dbraw/zinc/80/88/54/810808854.db2.gz ZGGQGQLYCHGAPI-CVEARBPZSA-N 1 1 292.467 3.476 20 30 CGEDMO CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)CCCCCC)C1 ZINC001192986466 810838557 /nfs/dbraw/zinc/83/85/57/810838557.db2.gz FNGGHNLQTMVEBT-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)CCCCCC)C1 ZINC001192986069 810838703 /nfs/dbraw/zinc/83/87/03/810838703.db2.gz ALHMGFQBHJVVER-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H](C)C2(CCCCC2)C1 ZINC001193637637 810926047 /nfs/dbraw/zinc/92/60/47/810926047.db2.gz ZNYRXCSOOGWGNV-UONOGXRCSA-N 1 1 265.397 3.006 20 30 CGEDMO C=C[C@H](C(=O)OC)[N@H+]1CC[C@H](C)C2(CCCCC2)C1 ZINC001193637637 810926051 /nfs/dbraw/zinc/92/60/51/810926051.db2.gz ZNYRXCSOOGWGNV-UONOGXRCSA-N 1 1 265.397 3.006 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(Cl)s2)C1 ZINC001193847513 810967813 /nfs/dbraw/zinc/96/78/13/810967813.db2.gz ZUZHMLGJHCJEGH-LLVKDONJSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)CCCCCC)C1 ZINC001193854467 810968780 /nfs/dbraw/zinc/96/87/80/810968780.db2.gz ICAIQKHKRRNYRJ-INIZCTEOSA-N 1 1 280.456 3.456 20 30 CGEDMO CCCCCCCOC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001194004580 810998901 /nfs/dbraw/zinc/99/89/01/810998901.db2.gz VSNRMGUBKKNKQA-CABCVRRESA-N 1 1 282.428 3.262 20 30 CGEDMO C=CCCCC[N@@H+](CC(=O)N1CCCCCC1)C(C)C ZINC001194166281 811026009 /nfs/dbraw/zinc/02/60/09/811026009.db2.gz YKSZDDVCPLZEJT-UHFFFAOYSA-N 1 1 280.456 3.456 20 30 CGEDMO C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](CC)CCCCC)C1 ZINC001194182808 811029846 /nfs/dbraw/zinc/02/98/46/811029846.db2.gz GQBXDXXOZFVLOO-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)C2(CC=C)CCCCC2)C1 ZINC001194183942 811030198 /nfs/dbraw/zinc/03/01/98/811030198.db2.gz WTJPPLOWRGRUQG-INIZCTEOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)CCCCC)C1 ZINC001194184145 811030970 /nfs/dbraw/zinc/03/09/70/811030970.db2.gz ZCYCOWYAZGNOAP-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+](C)[C@H](CO)CC(C)(C)C ZINC001194385863 811065389 /nfs/dbraw/zinc/06/53/89/811065389.db2.gz UOBMLUIUVQGMKW-INIZCTEOSA-N 1 1 288.435 3.404 20 30 CGEDMO C=CCCC[N@H+]1CCCN(C(=O)CC2CCCCC2)CC1 ZINC001194733050 811119791 /nfs/dbraw/zinc/11/97/91/811119791.db2.gz NEOJIMUBARAQFB-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001194898437 811166288 /nfs/dbraw/zinc/16/62/88/811166288.db2.gz HVULYABBHUFOIB-LSDHHAIUSA-N 1 1 296.455 3.435 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@@H](C)CCC)CC1 ZINC001195383920 811249454 /nfs/dbraw/zinc/24/94/54/811249454.db2.gz SEUZZARNNKJROG-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCN(C(=O)/C(C)=C\C)CC1 ZINC001195444852 811254291 /nfs/dbraw/zinc/25/42/91/811254291.db2.gz XDOIWVIMJYTCLA-BNCCVWRVSA-N 1 1 278.440 3.233 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CCOc2ccccc2OC)C1 ZINC001195947759 811303910 /nfs/dbraw/zinc/30/39/10/811303910.db2.gz XEXUUEUPQPNVOL-OAHLLOKOSA-N 1 1 275.392 3.362 20 30 CGEDMO CC#CC[N@H+]1CCCN(C(=O)CCCC[C@H](C)CC)CC1 ZINC001195957724 811305358 /nfs/dbraw/zinc/30/53/58/811305358.db2.gz GGPYMRGEMXLWDJ-QGZVFWFLSA-N 1 1 292.467 3.151 20 30 CGEDMO CC#CC[N@@H+]1CCCN(C(=O)CCCC[C@H](C)CC)CC1 ZINC001195957724 811305368 /nfs/dbraw/zinc/30/53/68/811305368.db2.gz GGPYMRGEMXLWDJ-QGZVFWFLSA-N 1 1 292.467 3.151 20 30 CGEDMO C#CCC[N@@H+]1CCCN(C(=O)CCC[C@@H](C)CCC)CC1 ZINC001195989879 811308074 /nfs/dbraw/zinc/30/80/74/811308074.db2.gz GOUCLFUQAIFNHM-KRWDZBQOSA-N 1 1 292.467 3.151 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[N@@H+](CCCC2CCC2)CC1 ZINC001196018658 811311877 /nfs/dbraw/zinc/31/18/77/811311877.db2.gz ZUDRSXNDMRYXJW-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO N#Cc1ccccc1OCC[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC001196255654 811328542 /nfs/dbraw/zinc/32/85/42/811328542.db2.gz XHOIWIVEZQUFTD-QGZVFWFLSA-N 1 1 284.403 3.449 20 30 CGEDMO C=CCCC[N@H+]1CCCN(C(=O)[C@H]2CCCC23CC3)CC1 ZINC001196281133 811331808 /nfs/dbraw/zinc/33/18/08/811331808.db2.gz BKKGOSARUUUMIP-MRXNPFEDSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001196585945 811353921 /nfs/dbraw/zinc/35/39/21/811353921.db2.gz AHGWYNBZBTUYAU-LZLYRXPVSA-N 1 1 290.451 3.066 20 30 CGEDMO C#Cc1ccc(C(=O)N2CCC[N@H+](CCCCC)CC2)cc1 ZINC001196710376 811358879 /nfs/dbraw/zinc/35/88/79/811358879.db2.gz BXRGDVZYPCPYDL-UHFFFAOYSA-N 1 1 298.430 3.006 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C/C=C(/C)C=C)CC1 ZINC001196822867 811370534 /nfs/dbraw/zinc/37/05/34/811370534.db2.gz DPHRQKOPFNHMAM-RNIVLKNTSA-N 1 1 290.451 3.398 20 30 CGEDMO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@H+](CCCCC)CC1 ZINC001196828995 811372891 /nfs/dbraw/zinc/37/28/91/811372891.db2.gz BPMVWMVIUBQCPV-CVEARBPZSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[N@H+](CC/C=C\CC)CC1 ZINC001196890653 811379744 /nfs/dbraw/zinc/37/97/44/811379744.db2.gz VCBVOVGAQGIDGW-ZPUOCTKUSA-N 1 1 292.467 3.479 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC[N@H+](CC/C=C\CC)CC1 ZINC001196890652 811380191 /nfs/dbraw/zinc/38/01/91/811380191.db2.gz VCBVOVGAQGIDGW-QWPQOLDESA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C(C)(C)CC)CC1 ZINC001196977965 811388734 /nfs/dbraw/zinc/38/87/34/811388734.db2.gz XGLPSISADJWNDD-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)C2(C)CCCCC2)CC1 ZINC001197029576 811392218 /nfs/dbraw/zinc/39/22/18/811392218.db2.gz XFJKMIMQFXIWQJ-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]2CC)CC1 ZINC001197062286 811393444 /nfs/dbraw/zinc/39/34/44/811393444.db2.gz OOTGYCOCRDJGKY-DLBZAZTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC1(C(=O)N2CCC[N@@H+](C[C@H](F)CC)CC2)CC1 ZINC001197061495 811395055 /nfs/dbraw/zinc/39/50/55/811395055.db2.gz CKUNZRDADSKMGN-OAHLLOKOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCCC1(C(=O)N2CCC[N@H+](C[C@H](F)CC)CC2)CC1 ZINC001197061495 811395067 /nfs/dbraw/zinc/39/50/67/811395067.db2.gz CKUNZRDADSKMGN-OAHLLOKOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC1(C(=O)N2CCC[N@@H+](CCC3CC3)CC2)CCC1 ZINC001197077709 811395993 /nfs/dbraw/zinc/39/59/93/811395993.db2.gz WPJFNBKEODKFOK-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC001197176897 811403025 /nfs/dbraw/zinc/40/30/25/811403025.db2.gz GBNSLCOIKCZYFT-PMPSAXMXSA-N 1 1 251.414 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)[C@H](C)CC(C)(C)C)CC1 ZINC001197346737 811418447 /nfs/dbraw/zinc/41/84/47/811418447.db2.gz WPSGAPJFIQFVKM-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)[C@H](C)CCCCCC)CC1 ZINC001197519870 811426603 /nfs/dbraw/zinc/42/66/03/811426603.db2.gz UQYHBWLVPUVIDH-MRXNPFEDSA-N 1 1 280.456 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)CC(CC)CC)CC1 ZINC001197587450 811431493 /nfs/dbraw/zinc/43/14/93/811431493.db2.gz RAEGTUYXDACANZ-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@H]2[C@@H](C(=O)OCC)[C@H]2C1 ZINC001197738377 811450503 /nfs/dbraw/zinc/45/05/03/811450503.db2.gz HSAOMCOFWKHNHU-OWCLPIDISA-N 1 1 281.440 3.478 20 30 CGEDMO C#CCC[N@@H+]1CCCN(C(=O)C(C)(C)CCCCC)CC1 ZINC001198204112 811484837 /nfs/dbraw/zinc/48/48/37/811484837.db2.gz AQJKHKXSZPDVLV-UHFFFAOYSA-N 1 1 292.467 3.151 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1cc(C(F)(F)F)nn1C ZINC001198414185 811499422 /nfs/dbraw/zinc/49/94/22/811499422.db2.gz GKYLHBVEGSKRDC-LLVKDONJSA-N 1 1 287.329 3.370 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1cnnn1-c1ccccc1 ZINC001198457616 811505356 /nfs/dbraw/zinc/50/53/56/811505356.db2.gz FFZAUUQTKMKXHI-UHFFFAOYSA-N 1 1 270.380 3.055 20 30 CGEDMO C[C@@H]1CSCCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001198518294 811510193 /nfs/dbraw/zinc/51/01/93/811510193.db2.gz XRNFIWQBACKXNK-LLVKDONJSA-N 1 1 264.369 3.025 20 30 CGEDMO C#C[C@@H]1CCCC[N@H+]1C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC001198523978 811511591 /nfs/dbraw/zinc/51/15/91/811511591.db2.gz BHYFPHKDUWMVGO-FGTMMUONSA-N 1 1 269.388 3.394 20 30 CGEDMO COCC#CC[N@@H+]1CC=C(c2cccc(C)c2C)CC1 ZINC001198563805 811517795 /nfs/dbraw/zinc/51/77/95/811517795.db2.gz RMKWVJRFWUMOBL-UHFFFAOYSA-N 1 1 269.388 3.042 20 30 CGEDMO N#CCCC[N@@H+]1CCCC[C@H]1Cc1ccc(O)cc1 ZINC001198604071 811522934 /nfs/dbraw/zinc/52/29/34/811522934.db2.gz HADHNXGSSJYANN-HNNXBMFYSA-N 1 1 258.365 3.093 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCO[C@@H](c3ccccc3)CC2)C1 ZINC001198708550 811536761 /nfs/dbraw/zinc/53/67/61/811536761.db2.gz ZDYWKVHIJVKKAQ-DJIMGWMZSA-N 1 1 270.376 3.142 20 30 CGEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+](CCCCC)C2 ZINC001201725910 811948359 /nfs/dbraw/zinc/94/83/59/811948359.db2.gz AGKGNMULTGQSFB-QGZVFWFLSA-N 1 1 278.440 3.210 20 30 CGEDMO CCCCCCCCN1CC[NH+](CCCCOC)CC1 ZINC001201840271 811969074 /nfs/dbraw/zinc/96/90/74/811969074.db2.gz RPIXLJDDXMGFIH-UHFFFAOYSA-N 1 1 284.488 3.391 20 30 CGEDMO CCCCCCCCC[N@H+]1CCN(C(C)=O)[C@H](C)C1 ZINC001201852780 811972597 /nfs/dbraw/zinc/97/25/97/811972597.db2.gz LHTHNIJCJCCOIT-OAHLLOKOSA-N 1 1 268.445 3.290 20 30 CGEDMO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](CC1CCCC1)C2 ZINC001202167270 812027021 /nfs/dbraw/zinc/02/70/21/812027021.db2.gz NQLFTXKSEPHPMS-IAGOWNOFSA-N 1 1 279.424 3.003 20 30 CGEDMO C[N@H+]1CCc2ncc(NC=Cc3ccc(C#N)cc3)cc2C1 ZINC001203297900 812299105 /nfs/dbraw/zinc/29/91/05/812299105.db2.gz CAUOMGAUKXGZIS-SOFGYWHQSA-N 1 1 290.370 3.024 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1cc(C)c(OC)cc1C ZINC001203761185 812458110 /nfs/dbraw/zinc/45/81/10/812458110.db2.gz UXYGUHAHRVYIPM-UHFFFAOYSA-N 1 1 260.381 3.438 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1cc(C)c(OC)cc1C ZINC001203761185 812458113 /nfs/dbraw/zinc/45/81/13/812458113.db2.gz UXYGUHAHRVYIPM-UHFFFAOYSA-N 1 1 260.381 3.438 20 30 CGEDMO C[C@H]1C(=O)CC[N@H+](Cc2cccc(C#N)c2)C12CCCC2 ZINC001203765024 812458257 /nfs/dbraw/zinc/45/82/57/812458257.db2.gz TVVMTMARYJJWSY-AWEZNQCLSA-N 1 1 282.387 3.282 20 30 CGEDMO C[C@H]1C(=O)CC[N@@H+](Cc2cccc(C#N)c2)C12CCCC2 ZINC001203765024 812458261 /nfs/dbraw/zinc/45/82/61/812458261.db2.gz TVVMTMARYJJWSY-AWEZNQCLSA-N 1 1 282.387 3.282 20 30 CGEDMO C=CC[NH+]1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC001203807862 812467548 /nfs/dbraw/zinc/46/75/48/812467548.db2.gz CWEDFZXCEYTKDZ-UHFFFAOYSA-N 1 1 285.218 3.297 20 30 CGEDMO COc1cccc(C[N@@H+]2CCc3ccc(C#N)cc3C2)c1 ZINC001203817936 812470301 /nfs/dbraw/zinc/47/03/01/812470301.db2.gz PWMJBJPWFPNCGX-UHFFFAOYSA-N 1 1 278.355 3.125 20 30 CGEDMO COc1cccc(C[N@H+]2CCc3ccc(C#N)cc3C2)c1 ZINC001203817936 812470304 /nfs/dbraw/zinc/47/03/04/812470304.db2.gz PWMJBJPWFPNCGX-UHFFFAOYSA-N 1 1 278.355 3.125 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](F)C(F)(F)CC2)cc1 ZINC001203900481 812486819 /nfs/dbraw/zinc/48/68/19/812486819.db2.gz KBVVESSLVLWDSL-ZDUSSCGKSA-N 1 1 268.282 3.127 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)cc1 ZINC001203900199 812487028 /nfs/dbraw/zinc/48/70/28/812487028.db2.gz UDRFSPUBIFRBFO-CHWSQXEVSA-N 1 1 286.272 3.138 20 30 CGEDMO N#CC1(c2ccccc2F)CC[NH+](Cc2ccc[nH]2)CC1 ZINC001204013601 812519201 /nfs/dbraw/zinc/51/92/01/812519201.db2.gz XHBXJUJYGTXQNO-UHFFFAOYSA-N 1 1 283.350 3.211 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H]2c2cnccn2)cc1 ZINC001204300279 812604855 /nfs/dbraw/zinc/60/48/55/812604855.db2.gz NKMCKWQJDDSYBV-SFHVURJKSA-N 1 1 295.386 3.379 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001204368000 812620632 /nfs/dbraw/zinc/62/06/32/812620632.db2.gz HRFZHSXDNQQQEG-OKILXGFUSA-N 1 1 262.303 3.035 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001204368000 812620635 /nfs/dbraw/zinc/62/06/35/812620635.db2.gz HRFZHSXDNQQQEG-OKILXGFUSA-N 1 1 262.303 3.035 20 30 CGEDMO Cc1cc(C[N@@H+]2CCc3ccc(C#N)cc3C2)oc1C ZINC001204537436 812672149 /nfs/dbraw/zinc/67/21/49/812672149.db2.gz RRNXQZLIHJLDQL-UHFFFAOYSA-N 1 1 266.344 3.326 20 30 CGEDMO Cc1cc(C[N@H+]2CCc3ccc(C#N)cc3C2)oc1C ZINC001204537436 812672152 /nfs/dbraw/zinc/67/21/52/812672152.db2.gz RRNXQZLIHJLDQL-UHFFFAOYSA-N 1 1 266.344 3.326 20 30 CGEDMO COCC[N@@H+](C)Cc1ccnc(-c2ccc(C)cc2C#N)c1 ZINC001242591323 823049699 /nfs/dbraw/zinc/04/96/99/823049699.db2.gz OWCWTNWTOTWTNA-UHFFFAOYSA-N 1 1 295.386 3.007 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC(C)C)C1 ZINC001205950895 813144282 /nfs/dbraw/zinc/14/42/82/813144282.db2.gz JZKNTMJJUPUFCQ-OWCLPIDISA-N 1 1 280.456 3.214 20 30 CGEDMO C[C@@H]1CN(Cc2ccc(Cl)cc2C#N)CCC[C@@H]1C[NH3+] ZINC001206013733 813165214 /nfs/dbraw/zinc/16/52/14/813165214.db2.gz UAEAPAGBHHTIBP-CHWSQXEVSA-N 1 1 291.826 3.018 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)CC)C1 ZINC001206071335 813190438 /nfs/dbraw/zinc/19/04/38/813190438.db2.gz IKDKKKQBEPZGDA-BZUAXINKSA-N 1 1 282.472 3.439 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cccc(C#N)n1 ZINC001206376563 813308356 /nfs/dbraw/zinc/30/83/56/813308356.db2.gz JFWCEDGOPQMUIA-ZDUSSCGKSA-N 1 1 276.343 3.018 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[N@H+](CC2CCC(C)CC2)C[C@H]1C ZINC001206537152 813342637 /nfs/dbraw/zinc/34/26/37/813342637.db2.gz JTZXVSWRFFDDSC-MNAZLIDISA-N 1 1 292.467 3.215 20 30 CGEDMO COc1ccc2c(c1)CC[N@H+](Cc1ccc(C#N)c(C)c1)C2 ZINC001206688761 813400250 /nfs/dbraw/zinc/40/02/50/813400250.db2.gz DQOXVRBQPBCLAB-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1Nc1cccc(F)c1C#N ZINC001206736570 813413005 /nfs/dbraw/zinc/41/30/05/813413005.db2.gz JNNICNDEVVFJQE-UHFFFAOYSA-N 1 1 270.311 3.210 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1Nc1ccc(F)c(C#N)c1F ZINC001206743534 813416779 /nfs/dbraw/zinc/41/67/79/813416779.db2.gz MXJFQBDMNFHCSG-UHFFFAOYSA-N 1 1 288.301 3.350 20 30 CGEDMO C=C(C)CO[C@H]1CCC[N@H+]([C@H](C)c2ccccn2)C1 ZINC001206750390 813419965 /nfs/dbraw/zinc/41/99/65/813419965.db2.gz HZTAVTSHZKHILA-CABCVRRESA-N 1 1 260.381 3.200 20 30 CGEDMO CNc1ccc(C#N)cc1Nc1c[nH+]c(N(C)C)cc1C ZINC001206749058 813420306 /nfs/dbraw/zinc/42/03/06/813420306.db2.gz UPLIVRXSCKOENF-UHFFFAOYSA-N 1 1 281.363 3.113 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2(C)CCCC2)C1 ZINC001206936047 813459449 /nfs/dbraw/zinc/45/94/49/813459449.db2.gz ICZSMQBFTJXUOE-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO CC[N@H+](Cc1cc(C#N)n(C)c1)Cc1ccccc1F ZINC001207108422 813487558 /nfs/dbraw/zinc/48/75/58/813487558.db2.gz BFJMZCJRGXGQBT-UHFFFAOYSA-N 1 1 271.339 3.058 20 30 CGEDMO CC[N@@H+](Cc1cc(C#N)n(C)c1)Cc1ccccc1F ZINC001207108422 813487564 /nfs/dbraw/zinc/48/75/64/813487564.db2.gz BFJMZCJRGXGQBT-UHFFFAOYSA-N 1 1 271.339 3.058 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C ZINC001207165362 813502305 /nfs/dbraw/zinc/50/23/05/813502305.db2.gz KSLOMSMXCNZMKR-HUUCEWRRSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCN(CC[N@@H+]1CCC[C@H]1CC)C(=O)OC(C)(C)C ZINC001207203566 813515527 /nfs/dbraw/zinc/51/55/27/813515527.db2.gz IXACPIRNDHIRML-CQSZACIVSA-N 1 1 282.428 3.284 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)CC(C)C)C[C@H]1C ZINC001207215571 813516975 /nfs/dbraw/zinc/51/69/75/813516975.db2.gz LGCUNAHDUPMILT-BRWVUGGUSA-N 1 1 294.483 3.461 20 30 CGEDMO CCC[N@H+](CCC#N)CCCc1ccc(OC)cc1 ZINC001207582547 813598431 /nfs/dbraw/zinc/59/84/31/813598431.db2.gz JVQDTNLOTLVQKB-UHFFFAOYSA-N 1 1 260.381 3.253 20 30 CGEDMO N#C[C@H]1CCC[N@H+](CCCc2cccc(F)c2)CC1 ZINC001207604794 813608852 /nfs/dbraw/zinc/60/88/52/813608852.db2.gz AQVOJRITYNFNSU-HNNXBMFYSA-N 1 1 260.356 3.384 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(OCc2cccc(OC)c2)cc1 ZINC001207711707 813639160 /nfs/dbraw/zinc/63/91/60/813639160.db2.gz NTMAYSPQNDOYIF-UHFFFAOYSA-N 1 1 295.382 3.339 20 30 CGEDMO C[C@H](CC(C)(C)C#N)[NH2+]Cc1ncccc1Br ZINC001207798672 813652727 /nfs/dbraw/zinc/65/27/27/813652727.db2.gz PCGQAYRDALRZLC-SNVBAGLBSA-N 1 1 296.212 3.262 20 30 CGEDMO C=CCCCCCCCCC[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC001207899305 813667879 /nfs/dbraw/zinc/66/78/79/813667879.db2.gz UKUBNQACKLUEMV-MRXNPFEDSA-N 1 1 294.439 3.430 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC2CCCCCC2)C1 ZINC001208015790 813686219 /nfs/dbraw/zinc/68/62/19/813686219.db2.gz AOFQOOMORPIEBX-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](CC)CCCC)C1 ZINC001208036407 813686243 /nfs/dbraw/zinc/68/62/43/813686243.db2.gz JVMVRWYFKIWCST-BRWVUGGUSA-N 1 1 292.467 3.053 20 30 CGEDMO CCCCCCC/C=C/C[N@@H+]1CCn2ncnc2C1 ZINC001208119829 813698320 /nfs/dbraw/zinc/69/83/20/813698320.db2.gz HRDZBFQWWSBGMN-CMDGGOBGSA-N 1 1 262.401 3.010 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CCn2ncnc2C1 ZINC001208119829 813698324 /nfs/dbraw/zinc/69/83/24/813698324.db2.gz HRDZBFQWWSBGMN-CMDGGOBGSA-N 1 1 262.401 3.010 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CCC[C@H](NC(=O)NC)C1 ZINC001208124173 813698471 /nfs/dbraw/zinc/69/84/71/813698471.db2.gz MAXDMKWNKKYVLF-SCOAYWHSSA-N 1 1 295.471 3.297 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+](CC)CC(C)(C)O)CC1 ZINC001208178776 813728465 /nfs/dbraw/zinc/72/84/65/813728465.db2.gz WUGIHTNMKVBPJR-OAHLLOKOSA-N 1 1 251.414 3.382 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[NH+]2CCN(CCC)CC2)CC1 ZINC001208176528 813729526 /nfs/dbraw/zinc/72/95/26/813729526.db2.gz FVIGAJBNGVZHNG-QGZVFWFLSA-N 1 1 262.441 3.317 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)CC1 ZINC001208178395 813729546 /nfs/dbraw/zinc/72/95/46/813729546.db2.gz QJJVWMZLVCRNJE-DFBDCSAJSA-N 1 1 273.420 3.398 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H](C(=O)OC)C3(CC3)C2)CC1 ZINC001208179181 813731053 /nfs/dbraw/zinc/73/10/53/813731053.db2.gz QCHBWWXMCXLADP-HZPDHXFCSA-N 1 1 289.419 3.174 20 30 CGEDMO C=C(C)C[N@@H+](CC)C[C@H](C)Cc1ccc2c(c1)OCO2 ZINC001208221030 813749818 /nfs/dbraw/zinc/74/98/18/813749818.db2.gz KHYZNTBKZAKINM-CQSZACIVSA-N 1 1 275.392 3.492 20 30 CGEDMO CCC[N@@H+](CCC#N)CC1(c2ccccc2)CCOCC1 ZINC001208226597 813750639 /nfs/dbraw/zinc/75/06/39/813750639.db2.gz FHDAEPFGHHSXSA-UHFFFAOYSA-N 1 1 286.419 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C(C)(C)C)C1 ZINC001208324595 813755489 /nfs/dbraw/zinc/75/54/89/813755489.db2.gz RCNADTWPPWIKDR-HUUCEWRRSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC2CC2)C1 ZINC001208382728 813758038 /nfs/dbraw/zinc/75/80/38/813758038.db2.gz MNOSRNYIXJIAPB-HLLBOEOZSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)CC)C[C@H]2C)CC1 ZINC001208499980 813763935 /nfs/dbraw/zinc/76/39/35/813763935.db2.gz FGKWMHLEMJIIEL-ARFHVFGLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CC(CC)CC)C[C@H]1C ZINC001208512043 813765216 /nfs/dbraw/zinc/76/52/16/813765216.db2.gz SUTLOOWFIGUODE-QGPMSJSTSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001208530407 813765396 /nfs/dbraw/zinc/76/53/96/813765396.db2.gz UJACNLFQUARDEE-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCN(C)C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001208589464 813769039 /nfs/dbraw/zinc/76/90/39/813769039.db2.gz VVDCKVOJOSJRFS-KRWDZBQOSA-N 1 1 258.409 3.159 20 30 CGEDMO C=CC[N@@H+](C)C[C@@H]1CCCCN1Cc1ccccc1 ZINC001208589464 813769040 /nfs/dbraw/zinc/76/90/40/813769040.db2.gz VVDCKVOJOSJRFS-KRWDZBQOSA-N 1 1 258.409 3.159 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCCN1Cc1ccccc1 ZINC001208589464 813769042 /nfs/dbraw/zinc/76/90/42/813769042.db2.gz VVDCKVOJOSJRFS-KRWDZBQOSA-N 1 1 258.409 3.159 20 30 CGEDMO N#CCC[N@H+](C[C@H]1COC2(CCCCC2)O1)C1CCCC1 ZINC001208638776 813780349 /nfs/dbraw/zinc/78/03/49/813780349.db2.gz ILIVOTKSAAYFDT-INIZCTEOSA-N 1 1 292.423 3.220 20 30 CGEDMO N#CCC[N@@H+](C[C@H]1COC2(CCCCC2)O1)C1CCCC1 ZINC001208638776 813780354 /nfs/dbraw/zinc/78/03/54/813780354.db2.gz ILIVOTKSAAYFDT-INIZCTEOSA-N 1 1 292.423 3.220 20 30 CGEDMO C=CC[N@H+](CC1CCN(C(C)=O)CC1)C1CCCCC1 ZINC001208677749 813793768 /nfs/dbraw/zinc/79/37/68/813793768.db2.gz GVBSVGNYMSLCTD-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO C[C@@H](C[N@H+]1CCC[C@H](CC#N)C1)OCc1ccccc1 ZINC001208700877 813805146 /nfs/dbraw/zinc/80/51/46/813805146.db2.gz OAQQBUKWMHUDPA-JKSUJKDBSA-N 1 1 272.392 3.217 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](CC/C=C\CC)CC2 ZINC001208726877 813814689 /nfs/dbraw/zinc/81/46/89/813814689.db2.gz DCCBAIQPHWTDOW-XFHJGTJQSA-N 1 1 290.451 3.376 20 30 CGEDMO CC(C)Oc1ncccc1CC[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001208800264 813851905 /nfs/dbraw/zinc/85/19/05/813851905.db2.gz LNBXSVZPVNRGBJ-XGBSXSJOSA-N 1 1 299.418 3.178 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCc2cccc(C#N)c2)CCC1(F)F ZINC001208845800 813863640 /nfs/dbraw/zinc/86/36/40/813863640.db2.gz SROCQDKJSNJKEQ-CYBMUJFWSA-N 1 1 278.346 3.468 20 30 CGEDMO C[C@@]1(CF)CC[N@@H+](CCCc2cccc(C#N)c2)C1 ZINC001208845154 813864806 /nfs/dbraw/zinc/86/48/06/813864806.db2.gz OMNSFBKSWMJXBH-INIZCTEOSA-N 1 1 260.356 3.172 20 30 CGEDMO CC(C)[N@@H+](CCCc1cccc(C#N)c1)C1CCN(C)CC1 ZINC001208854601 813866549 /nfs/dbraw/zinc/86/65/49/813866549.db2.gz RCCOUFRFJVVRMT-UHFFFAOYSA-N 1 1 299.462 3.295 20 30 CGEDMO N#Cc1ccc(CCC[N@H+]2CC[C@@H](c3ccncc3)C2)cc1 ZINC001208858783 813872836 /nfs/dbraw/zinc/87/28/36/813872836.db2.gz PAWPSKSCJIKNGC-LJQANCHMSA-N 1 1 291.398 3.375 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](CC2CCN(c3ccccc3)CC2)C1 ZINC001208910908 813898121 /nfs/dbraw/zinc/89/81/21/813898121.db2.gz ADXNKMKZNDHPAX-QGZVFWFLSA-N 1 1 283.419 3.139 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001209157575 813949537 /nfs/dbraw/zinc/94/95/37/813949537.db2.gz XSPZVRFQGFSOAB-AWEZNQCLSA-N 1 1 282.428 3.332 20 30 CGEDMO C=CCCCC[N@H+](C)CCCC(C)(C)OC(C)=O ZINC001209159681 813951874 /nfs/dbraw/zinc/95/18/74/813951874.db2.gz VNYLVAUHDAHUQO-UHFFFAOYSA-N 1 1 255.402 3.396 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001209162550 813953042 /nfs/dbraw/zinc/95/30/42/813953042.db2.gz IMAUIELXYYJQMK-GASCZTMLSA-N 1 1 294.439 3.426 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001209161779 813953512 /nfs/dbraw/zinc/95/35/12/813953512.db2.gz DLQDKDPIBMCIHZ-INIZCTEOSA-N 1 1 270.376 3.368 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@]2(CCCC(=O)N2CC=C)C1 ZINC001209200929 813964390 /nfs/dbraw/zinc/96/43/90/813964390.db2.gz QJZQUKPRTCOJEG-GOSISDBHSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCCCC[N@@H+]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001209200587 813965431 /nfs/dbraw/zinc/96/54/31/813965431.db2.gz KCTSGHCRCMLAGA-UHFFFAOYSA-N 1 1 294.439 3.286 20 30 CGEDMO C=CCCCC[N@H+]1CCc2cc3c(cc2C1)OCO3 ZINC001209201631 813965472 /nfs/dbraw/zinc/96/54/72/813965472.db2.gz ORKYPCVILUULGZ-UHFFFAOYSA-N 1 1 259.349 3.130 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@H](Oc2cccc(OC)n2)C1 ZINC001209207603 813968214 /nfs/dbraw/zinc/96/82/14/813968214.db2.gz AZZJEVZSEASCRS-HNNXBMFYSA-N 1 1 290.407 3.290 20 30 CGEDMO C#CCCC[N@H+]1CCO[C@](C)(c2ccc(Cl)cc2)C1 ZINC001209268976 813989906 /nfs/dbraw/zinc/98/99/06/813989906.db2.gz CEVKAIGJYKKEAM-INIZCTEOSA-N 1 1 277.795 3.301 20 30 CGEDMO C[C@@H]1CC(C[N@@H+](C)Cc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC001209387389 814008632 /nfs/dbraw/zinc/00/86/32/814008632.db2.gz GWSQIRUNAVKYJT-ZIAGYGMSSA-N 1 1 272.392 3.194 20 30 CGEDMO C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001209422243 814024796 /nfs/dbraw/zinc/02/47/96/814024796.db2.gz UNOYDIPYIDXEGL-UNEWFSDZSA-N 1 1 270.376 3.057 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC1 ZINC001209423349 814026370 /nfs/dbraw/zinc/02/63/70/814026370.db2.gz SYAIIDUKIRHEMP-IRXDYDNUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](C(=O)N(CC)CC)C1 ZINC001209429222 814029863 /nfs/dbraw/zinc/02/98/63/814029863.db2.gz VULPWPZYGGAACV-MRXNPFEDSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCCCCCC[N@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001209430986 814032384 /nfs/dbraw/zinc/03/23/84/814032384.db2.gz GKDAXMYLJPENSV-STQMWFEESA-N 1 1 297.336 3.460 20 30 CGEDMO C=CCCCCCC[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001209430986 814032388 /nfs/dbraw/zinc/03/23/88/814032388.db2.gz GKDAXMYLJPENSV-STQMWFEESA-N 1 1 297.336 3.460 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@H]2[C@@H](CN2C(=O)OC(C)(C)C)C1 ZINC001209433397 814035693 /nfs/dbraw/zinc/03/56/93/814035693.db2.gz VRCSVQHICYQGCJ-CABCVRRESA-N 1 1 294.439 3.284 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CCC[C@H](C(=O)N(C)C)C1 ZINC001209439071 814038295 /nfs/dbraw/zinc/03/82/95/814038295.db2.gz HZASNAAXPQOEOG-INIZCTEOSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CC[C@H](C(=O)OCC)C1 ZINC001209438246 814038510 /nfs/dbraw/zinc/03/85/10/814038510.db2.gz CUWMXHHCAYRLQK-HNNXBMFYSA-N 1 1 267.413 3.398 20 30 CGEDMO C=CCCCCCCCC[N@H+]1CCN2CC[C@@H]2C1 ZINC001209445339 814045157 /nfs/dbraw/zinc/04/51/57/814045157.db2.gz IVJZGELZPCKSBG-MRXNPFEDSA-N 1 1 250.430 3.293 20 30 CGEDMO C=CCCCCCCCCN1CC[N@@H+]2CC[C@@H]2C1 ZINC001209445339 814045163 /nfs/dbraw/zinc/04/51/63/814045163.db2.gz IVJZGELZPCKSBG-MRXNPFEDSA-N 1 1 250.430 3.293 20 30 CGEDMO C=CCCCCCCCCN1CC[N@H+]2CC[C@@H]2C1 ZINC001209445339 814045166 /nfs/dbraw/zinc/04/51/66/814045166.db2.gz IVJZGELZPCKSBG-MRXNPFEDSA-N 1 1 250.430 3.293 20 30 CGEDMO C=CC[N@H+](Cc1nn(C)c2ccccc21)C(C)(C)C ZINC001209585726 814090732 /nfs/dbraw/zinc/09/07/32/814090732.db2.gz WTCHEUKVBCOKES-UHFFFAOYSA-N 1 1 257.381 3.360 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2c[nH]c3ncc(Cl)cc23)C1 ZINC001209596966 814096802 /nfs/dbraw/zinc/09/68/02/814096802.db2.gz IXSLFLRIPOTKRT-NSHDSACASA-N 1 1 288.782 3.342 20 30 CGEDMO CN(C)c1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001209778712 814137743 /nfs/dbraw/zinc/13/77/43/814137743.db2.gz KPIAPCYALDACGJ-MKZZRHPPSA-N 1 1 269.392 3.019 20 30 CGEDMO CO[C@@H](C)c1cccc([NH+]=C(NO)c2ccccc2N)c1 ZINC001209951485 814210775 /nfs/dbraw/zinc/21/07/75/814210775.db2.gz DXVCRUHKPRXXFR-NSHDSACASA-N 1 1 285.347 3.033 20 30 CGEDMO CCOC(=[NH2+])c1cccc(C2=CC(=O)C[C@@H](C)C2)c1 ZINC001242746613 823121177 /nfs/dbraw/zinc/12/11/77/823121177.db2.gz YAHNNOKASGNJSA-NSHDSACASA-N 1 1 257.333 3.431 20 30 CGEDMO Cc1[nH+]c2c(Nc3ccc(O)c(C#N)c3)cccn2c1C ZINC001210529207 814510717 /nfs/dbraw/zinc/51/07/17/814510717.db2.gz BHPIWTILTONYCI-UHFFFAOYSA-N 1 1 278.315 3.272 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(CC)CC)C1 ZINC001211184261 814843112 /nfs/dbraw/zinc/84/31/12/814843112.db2.gz QFMKNIFQFTWRCF-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO CCCCCCCC[C@@H](C)OCC[C@H]([NH3+])C(=O)OC ZINC001217889425 815990266 /nfs/dbraw/zinc/99/02/66/815990266.db2.gz CGSXGEJQKCEFBU-KGLIPLIRSA-N 1 1 273.417 3.033 20 30 CGEDMO C#C[C@](C)([NH3+])C(=O)Nc1ccc(CCCCCC)cc1 ZINC001218837410 816254389 /nfs/dbraw/zinc/25/43/89/816254389.db2.gz BKTKWWSENOYPAY-KRWDZBQOSA-N 1 1 272.392 3.099 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C3CCC3)[C@@H]2C1 ZINC001221220577 816306564 /nfs/dbraw/zinc/30/65/64/816306564.db2.gz VDJJDCYXNBPDNK-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CC(C)(C)CC)[C@@H]2C1 ZINC001221576116 816320412 /nfs/dbraw/zinc/32/04/12/816320412.db2.gz YUWIKLASRRLMMR-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C3(C)CC3)[C@@H]2C1 ZINC001221564115 816320446 /nfs/dbraw/zinc/32/04/46/816320446.db2.gz IUJZXEYAAASKMC-HZPDHXFCSA-N 1 1 292.467 3.290 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCC(C)(C)C)[C@@H]2C1 ZINC001221885806 816333872 /nfs/dbraw/zinc/33/38/72/816333872.db2.gz XWYMWFMODJUHBD-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)CCC(C)(C)C)[C@@H]2C1 ZINC001221949545 816336330 /nfs/dbraw/zinc/33/63/30/816336330.db2.gz BFCBUOJWWDURNH-BZUAXINKSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)/C(C)=C/CC)C[C@@H]21 ZINC001222379406 816423355 /nfs/dbraw/zinc/42/33/55/816423355.db2.gz ZEIXPCDQZRRYEN-AMGWZVKNSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)/C(C)=C/CC)C[C@@H]21 ZINC001222379406 816423358 /nfs/dbraw/zinc/42/33/58/816423358.db2.gz ZEIXPCDQZRRYEN-AMGWZVKNSA-N 1 1 296.842 3.018 20 30 CGEDMO CCCCCCCCCNC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC001223275010 816595493 /nfs/dbraw/zinc/59/54/93/816595493.db2.gz SUTAKIJBVGHTHJ-CVEARBPZSA-N 1 1 295.471 3.083 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)CC(C)C)C[C@@H]21 ZINC001223770670 816679397 /nfs/dbraw/zinc/67/93/97/816679397.db2.gz XCYHNNFCNCDGGB-ZACQAIPSSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCCCCC)C[C@@H]21 ZINC001224061103 816729618 /nfs/dbraw/zinc/72/96/18/816729618.db2.gz SPRCQTOARBNFEB-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCO[C@@H]1CCC[N@H+]([C@@H](C)c2ccccn2)C1 ZINC001224339174 816782008 /nfs/dbraw/zinc/78/20/08/816782008.db2.gz FRYONPVSQQXVOW-LSDHHAIUSA-N 1 1 260.381 3.200 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H](OCCCCCCC#N)C1 ZINC001224374720 816789729 /nfs/dbraw/zinc/78/97/29/816789729.db2.gz AVUICFZCCYEBJC-OAHLLOKOSA-N 1 1 252.402 3.350 20 30 CGEDMO C=CCCCCCCCO[C@H](C)C[NH+]1CCOCC1 ZINC001224507743 816817053 /nfs/dbraw/zinc/81/70/53/816817053.db2.gz LSGHFERULQPSAF-MRXNPFEDSA-N 1 1 269.429 3.250 20 30 CGEDMO CC(C)=CCC[C@H](C)CCO[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001224710112 816862094 /nfs/dbraw/zinc/86/20/94/816862094.db2.gz OQKJEDUDJSMRFS-ZCVDQKGDSA-N 1 1 293.451 3.388 20 30 CGEDMO CC(C)=CCC[C@H](C)CCO[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001224710112 816862100 /nfs/dbraw/zinc/86/21/00/816862100.db2.gz OQKJEDUDJSMRFS-ZCVDQKGDSA-N 1 1 293.451 3.388 20 30 CGEDMO C=C[C@H](C)OC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001224829973 816892259 /nfs/dbraw/zinc/89/22/59/816892259.db2.gz LBEJCUDPJJFOHV-RDJZCZTQSA-N 1 1 259.393 3.490 20 30 CGEDMO Cc1ccc(N2CCC[C@H](Oc3ccccc3C#N)C2)[nH+]c1 ZINC001225198877 816957764 /nfs/dbraw/zinc/95/77/64/816957764.db2.gz MKNZIYLQEOXHNG-INIZCTEOSA-N 1 1 293.370 3.310 20 30 CGEDMO C[C@H](C#C[Si](C)(C)C)Oc1cc(N)[nH+]c2ccccc21 ZINC001226423135 817352162 /nfs/dbraw/zinc/35/21/62/817352162.db2.gz STYCVONJDXJMCB-GFCCVEGCSA-N 1 1 284.435 3.465 20 30 CGEDMO Cc1cc(C#N)cc(C)c1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001226521352 817385236 /nfs/dbraw/zinc/38/52/36/817385236.db2.gz FWZBWTMHEQGFBY-MUJYYYPQSA-N 1 1 270.376 3.179 20 30 CGEDMO CC[N@H+]1CCC[C@H](Oc2nc(C(C)(C)C)ccc2C#N)C1 ZINC001226550351 817393553 /nfs/dbraw/zinc/39/35/53/817393553.db2.gz PMVBMMVIKFOJCB-AWEZNQCLSA-N 1 1 287.407 3.114 20 30 CGEDMO CC[C@@H](C)c1ccccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001227759043 817715069 /nfs/dbraw/zinc/71/50/69/817715069.db2.gz FMIOBXDRDATZMU-ZGNSZZRVSA-N 1 1 287.403 3.191 20 30 CGEDMO CC[C@@H](C)c1ccccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001227759043 817715075 /nfs/dbraw/zinc/71/50/75/817715075.db2.gz FMIOBXDRDATZMU-ZGNSZZRVSA-N 1 1 287.403 3.191 20 30 CGEDMO C[N@H+]1CCC[C@@H](Oc2cccc(Cl)c2C#N)CC1 ZINC001227788796 817721506 /nfs/dbraw/zinc/72/15/06/817721506.db2.gz GUKMTUGWUCHXJM-LLVKDONJSA-N 1 1 264.756 3.075 20 30 CGEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc(Cl)ccc1C#N)C2 ZINC001228083823 817806127 /nfs/dbraw/zinc/80/61/27/817806127.db2.gz DUVUJOACIRREFG-WDNDVIMCSA-N 1 1 276.767 3.216 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H](Oc2cc(Cl)ccc2C#N)C1 ZINC001228084527 817806436 /nfs/dbraw/zinc/80/64/36/817806436.db2.gz NDFZSECQYPWYNY-CQSZACIVSA-N 1 1 278.783 3.463 20 30 CGEDMO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1C/C=C/c1ccccc1 ZINC001231112543 818032826 /nfs/dbraw/zinc/03/28/26/818032826.db2.gz CPRGLWOYPKHEGF-MZEUMTGBSA-N 1 1 298.430 3.199 20 30 CGEDMO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1C/C=C/c1ccccc1 ZINC001231112543 818032829 /nfs/dbraw/zinc/03/28/29/818032829.db2.gz CPRGLWOYPKHEGF-MZEUMTGBSA-N 1 1 298.430 3.199 20 30 CGEDMO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1[C@@H]1CCc2ccccc21 ZINC001231171198 818050736 /nfs/dbraw/zinc/05/07/36/818050736.db2.gz YWJBFTSKIZKFOL-FUHWJXTLSA-N 1 1 298.430 3.173 20 30 CGEDMO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1CCCC1CCC1 ZINC001231169576 818050778 /nfs/dbraw/zinc/05/07/78/818050778.db2.gz JIMAATBFCFVOAJ-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@H](C)C(C)C ZINC001231179561 818053721 /nfs/dbraw/zinc/05/37/21/818053721.db2.gz UFGQAFNCEZSJNK-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CCC[C@H]2c2ccncc2)c1 ZINC001231659038 818149927 /nfs/dbraw/zinc/14/99/27/818149927.db2.gz DTYPXYSAOAMBML-SFHVURJKSA-N 1 1 262.356 3.400 20 30 CGEDMO C#Cc1cccc(C[N@@H+](C)Cc2ccc(F)cc2)c1 ZINC001231657181 818150237 /nfs/dbraw/zinc/15/02/37/818150237.db2.gz YNAPBFKSDDYXEB-UHFFFAOYSA-N 1 1 253.320 3.439 20 30 CGEDMO C#Cc1cccc(C[N@@H+](C)C2CC[NH+](CCCC)CC2)c1 ZINC001231664571 818154173 /nfs/dbraw/zinc/15/41/73/818154173.db2.gz SKNZFXJQXOXRPJ-UHFFFAOYSA-N 1 1 284.447 3.364 20 30 CGEDMO C#Cc1cccc(C[N@H+](C)C2CC[NH+](CCCC)CC2)c1 ZINC001231664571 818154179 /nfs/dbraw/zinc/15/41/79/818154179.db2.gz SKNZFXJQXOXRPJ-UHFFFAOYSA-N 1 1 284.447 3.364 20 30 CGEDMO Cc1cc(C)c(C[N@H+]2CCc3cc(C#N)ccc3C2)c(O)c1 ZINC001231841971 818186382 /nfs/dbraw/zinc/18/63/82/818186382.db2.gz IPIJFWBTUZHPIR-UHFFFAOYSA-N 1 1 292.382 3.439 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cccc2c1OCCO2 ZINC001231886712 818202238 /nfs/dbraw/zinc/20/22/38/818202238.db2.gz XZCDNVCKHIBHBK-UHFFFAOYSA-N 1 1 261.365 3.246 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(Cl)c2)CCC[C@@]1(C)O ZINC001232111198 818258303 /nfs/dbraw/zinc/25/83/03/818258303.db2.gz BRFVGJGFCVBDNZ-MLGOLLRUSA-N 1 1 292.810 3.195 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2c[nH]c3nccc(Cl)c23)CC1 ZINC001232460690 818357971 /nfs/dbraw/zinc/35/79/71/818357971.db2.gz UTCUYTMHTMCPEO-NSHDSACASA-N 1 1 288.782 3.342 20 30 CGEDMO CC[N@H+](Cc1cccs1)Cc1cc(C#N)ccn1 ZINC001232480353 818365031 /nfs/dbraw/zinc/36/50/31/818365031.db2.gz SVIDVIXTXYXNSV-UHFFFAOYSA-N 1 1 257.362 3.037 20 30 CGEDMO CC[N@@H+](Cc1cccs1)Cc1cc(C#N)ccn1 ZINC001232480353 818365037 /nfs/dbraw/zinc/36/50/37/818365037.db2.gz SVIDVIXTXYXNSV-UHFFFAOYSA-N 1 1 257.362 3.037 20 30 CGEDMO N#Cc1ccnc(C[NH+]2CCC(c3ccccc3F)CC2)c1 ZINC001232480525 818365200 /nfs/dbraw/zinc/36/52/00/818365200.db2.gz BQUUXYGWZPCVHU-UHFFFAOYSA-N 1 1 295.361 3.472 20 30 CGEDMO N#Cc1ccnc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)c1 ZINC001232479792 818365267 /nfs/dbraw/zinc/36/52/67/818365267.db2.gz YINIWJSSJJXFBS-ZBFHGGJFSA-N 1 1 255.365 3.108 20 30 CGEDMO C[C@@]1(CO)CCC[N@H+](Cc2ccc(Cl)cc2C#N)CC1 ZINC001232604675 818393586 /nfs/dbraw/zinc/39/35/86/818393586.db2.gz DREYRBYRCVXAFB-MRXNPFEDSA-N 1 1 292.810 3.196 20 30 CGEDMO C[C@@]1(CO)CCC[N@@H+](Cc2ccc(Cl)cc2C#N)CC1 ZINC001232604675 818393589 /nfs/dbraw/zinc/39/35/89/818393589.db2.gz DREYRBYRCVXAFB-MRXNPFEDSA-N 1 1 292.810 3.196 20 30 CGEDMO N#Cc1ccc([O-])c(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC001232679102 818417281 /nfs/dbraw/zinc/41/72/81/818417281.db2.gz CJUHGKRHKPIJHL-KRWDZBQOSA-N 1 1 292.382 3.328 20 30 CGEDMO C=CC[N@H+](Cc1ccc(N(C)C)cc1O)C(C)(C)C ZINC001232841435 818453503 /nfs/dbraw/zinc/45/35/03/818453503.db2.gz GBGYLUVJQFBUEY-UHFFFAOYSA-N 1 1 262.397 3.245 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](Oc3ccncc3)C2)s1 ZINC001232845024 818454359 /nfs/dbraw/zinc/45/43/59/818454359.db2.gz JTLWGWCHGWULAI-CQSZACIVSA-N 1 1 299.399 3.058 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1c[nH]c2ccc(O)cc12 ZINC001232866923 818459311 /nfs/dbraw/zinc/45/93/11/818459311.db2.gz PMUITCCJYVEBEO-UHFFFAOYSA-N 1 1 271.364 3.389 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1c[nH]c2ccc(O)cc12 ZINC001232866923 818459312 /nfs/dbraw/zinc/45/93/12/818459312.db2.gz PMUITCCJYVEBEO-UHFFFAOYSA-N 1 1 271.364 3.389 20 30 CGEDMO C#CC[NH+](CC#C)Cc1cccc(SC(F)(F)F)c1 ZINC001232947142 818480703 /nfs/dbraw/zinc/48/07/03/818480703.db2.gz WNPPYSFVTIVBCZ-UHFFFAOYSA-N 1 1 283.318 3.367 20 30 CGEDMO Cc1ccc(C[N@H+]2CCc3cccc(O)c3C2)c(C#N)c1 ZINC001232967124 818485934 /nfs/dbraw/zinc/48/59/34/818485934.db2.gz CSFIFUKQURNUPU-UHFFFAOYSA-N 1 1 278.355 3.131 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cccc(OCOC)c1 ZINC001233283231 818565614 /nfs/dbraw/zinc/56/56/14/818565614.db2.gz YCHLIHYEKXPQCW-UHFFFAOYSA-N 1 1 263.381 3.457 20 30 CGEDMO N#CCC1C[NH+](Cc2ccc3nc(Cl)ccc3c2)C1 ZINC001233442432 818619483 /nfs/dbraw/zinc/61/94/83/818619483.db2.gz SKZPBEHLZGEHHS-UHFFFAOYSA-N 1 1 271.751 3.234 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CCC1CCC1 ZINC001233520348 818632260 /nfs/dbraw/zinc/63/22/60/818632260.db2.gz LJMJRIHFGRAKEG-NVXWUHKLSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)/C(C)=C\C ZINC001233562317 818643537 /nfs/dbraw/zinc/64/35/37/818643537.db2.gz YJNPMMBEHBLAPO-OBHDYHNASA-N 1 1 278.440 3.232 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(F)=C1CCCC1 ZINC001233682896 818679805 /nfs/dbraw/zinc/67/98/05/818679805.db2.gz KTEJLJZCSZOPFC-HNNXBMFYSA-N 1 1 294.414 3.283 20 30 CGEDMO CC(C)(C)[NH+]1CC(Oc2cc(C(F)(F)F)ccc2C#N)C1 ZINC001233732492 818693406 /nfs/dbraw/zinc/69/34/06/818693406.db2.gz PDFAEFJJRCGNMM-UHFFFAOYSA-N 1 1 298.308 3.439 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C1=CCCCCC1 ZINC001233856924 818718541 /nfs/dbraw/zinc/71/85/41/818718541.db2.gz MLYGZAGYZHAIEN-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)CC1(C)CCCC1 ZINC001234089633 818775910 /nfs/dbraw/zinc/77/59/10/818775910.db2.gz VDSKYOJYAFPFLT-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)CCCNC(=O)[C@H](CC)CCCC ZINC001234268853 818821089 /nfs/dbraw/zinc/82/10/89/818821089.db2.gz JOMZCISMNNQQRA-OAHLLOKOSA-N 1 1 268.445 3.217 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC[C@@H](C)CCC ZINC001234547413 818881425 /nfs/dbraw/zinc/88/14/25/818881425.db2.gz RSVDERCXTDYWBJ-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCC[C@H](C)CCC ZINC001234546425 818881483 /nfs/dbraw/zinc/88/14/83/818881483.db2.gz LITBRAFCRWXLMF-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(CC(C)C)CC1 ZINC001235190343 819029549 /nfs/dbraw/zinc/02/95/49/819029549.db2.gz BEPQINAQKNODLK-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC(C)(C)NC(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001235238021 819044270 /nfs/dbraw/zinc/04/42/70/819044270.db2.gz UFEJUXUVXMELBD-HNNXBMFYSA-N 1 1 293.455 3.047 20 30 CGEDMO C=CCCC(=O)NCCC[N@H+](C)Cc1cc(C)ccc1F ZINC001235451380 819103063 /nfs/dbraw/zinc/10/30/63/819103063.db2.gz IPVXVXLLEPYRQA-UHFFFAOYSA-N 1 1 292.398 3.038 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CCN[C@H](C(C)C)C1 ZINC001235471884 819106879 /nfs/dbraw/zinc/10/68/79/819106879.db2.gz VYSAEBDNOWVYAM-INIZCTEOSA-N 1 1 252.446 3.443 20 30 CGEDMO C=CCCCCCCC[N@H+]1CCN[C@H](C(C)C)C1 ZINC001235471884 819106880 /nfs/dbraw/zinc/10/68/80/819106880.db2.gz VYSAEBDNOWVYAM-INIZCTEOSA-N 1 1 252.446 3.443 20 30 CGEDMO Cc1ccnc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1Cl ZINC001235585356 819123443 /nfs/dbraw/zinc/12/34/43/819123443.db2.gz MQQKMSWZSHJJJO-XYYAHUGASA-N 1 1 275.783 3.310 20 30 CGEDMO Cc1ccnc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1Cl ZINC001235585356 819123446 /nfs/dbraw/zinc/12/34/46/819123446.db2.gz MQQKMSWZSHJJJO-XYYAHUGASA-N 1 1 275.783 3.310 20 30 CGEDMO N#CCC[N@H+](CCCCCO)C1CCCCCCC1 ZINC001235662958 819131784 /nfs/dbraw/zinc/13/17/84/819131784.db2.gz GCRPNFSBRYEEIU-UHFFFAOYSA-N 1 1 266.429 3.478 20 30 CGEDMO CCCCCCCCCCCC[N@H+]1CCN[C@@H](CO)C1 ZINC001235752970 819162238 /nfs/dbraw/zinc/16/22/38/819162238.db2.gz VWTVIJZJZVEGJX-QGZVFWFLSA-N 1 1 284.488 3.173 20 30 CGEDMO CCCCCCCCCCCCN1CC[NH2+][C@@H](CO)C1 ZINC001235752970 819162242 /nfs/dbraw/zinc/16/22/42/819162242.db2.gz VWTVIJZJZVEGJX-QGZVFWFLSA-N 1 1 284.488 3.173 20 30 CGEDMO CCOc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)ccc1F ZINC001235803416 819170509 /nfs/dbraw/zinc/17/05/09/819170509.db2.gz MUGNAYOXILJOTL-CYBMUJFWSA-N 1 1 276.355 3.350 20 30 CGEDMO CCOc1cc(C[N@H+]2CCC[C@H](CC#N)C2)ccc1F ZINC001235803416 819170514 /nfs/dbraw/zinc/17/05/14/819170514.db2.gz MUGNAYOXILJOTL-CYBMUJFWSA-N 1 1 276.355 3.350 20 30 CGEDMO COc1ccc2sc(C[NH+]3CC(CC#N)C3)cc2c1 ZINC001236656551 819564369 /nfs/dbraw/zinc/56/43/69/819564369.db2.gz TUDKVHWMJMMVCN-UHFFFAOYSA-N 1 1 272.373 3.255 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3cccc4ccoc43)CC[C@H]2S1 ZINC001236729215 819583506 /nfs/dbraw/zinc/58/35/06/819583506.db2.gz GLSNFDUNLCEVKO-CQSZACIVSA-N 1 1 285.368 3.207 20 30 CGEDMO O=C1C=C2C[N@@H+](Cc3cccc4ccoc43)CCC2S1 ZINC001236729215 819583509 /nfs/dbraw/zinc/58/35/09/819583509.db2.gz GLSNFDUNLCEVKO-CQSZACIVSA-N 1 1 285.368 3.207 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3cccc4ccoc43)CCC2S1 ZINC001236729215 819583513 /nfs/dbraw/zinc/58/35/13/819583513.db2.gz GLSNFDUNLCEVKO-CQSZACIVSA-N 1 1 285.368 3.207 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(OC(F)F)cc2F)C1 ZINC001236725543 819584280 /nfs/dbraw/zinc/58/42/80/819584280.db2.gz WXXVPXLXBJYZFA-LLVKDONJSA-N 1 1 283.293 3.272 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCCC23CC3)cc1Br ZINC001236857271 819625050 /nfs/dbraw/zinc/62/50/50/819625050.db2.gz VRKNXHRRGRPMTI-UHFFFAOYSA-N 1 1 291.192 3.449 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCC23CC3)cc1Br ZINC001236857271 819625051 /nfs/dbraw/zinc/62/50/51/819625051.db2.gz VRKNXHRRGRPMTI-UHFFFAOYSA-N 1 1 291.192 3.449 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1ccc2[nH]c(C(=O)OC)cc2c1 ZINC001237309117 819720990 /nfs/dbraw/zinc/72/09/90/819720990.db2.gz AXEHERBKMIJOEN-UHFFFAOYSA-N 1 1 299.374 3.080 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1ccc2[nH]c(C(=O)OC)cc2c1 ZINC001237309117 819720991 /nfs/dbraw/zinc/72/09/91/819720991.db2.gz AXEHERBKMIJOEN-UHFFFAOYSA-N 1 1 299.374 3.080 20 30 CGEDMO Cn1cc(C[N@H+]2CC[C@@](C)(CF)C2)c2cc(C#N)ccc21 ZINC001237466980 819757725 /nfs/dbraw/zinc/75/77/25/819757725.db2.gz PUYNQHMHPJHHQM-KRWDZBQOSA-N 1 1 285.366 3.231 20 30 CGEDMO CC(C)C[N@@H+](C)Cc1cn(C)c2ccc(C#N)cc12 ZINC001237465446 819757754 /nfs/dbraw/zinc/75/77/54/819757754.db2.gz IMPFWVRXJCJYJQ-UHFFFAOYSA-N 1 1 255.365 3.138 20 30 CGEDMO CCC[N@@H+](Cc1cc(C#N)c(F)cc1F)C1CCOCC1 ZINC001237536578 819773632 /nfs/dbraw/zinc/77/36/32/819773632.db2.gz MYGCTBQAHGUWGR-UHFFFAOYSA-N 1 1 294.345 3.227 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c(F)cc1F ZINC001237535349 819774480 /nfs/dbraw/zinc/77/44/80/819774480.db2.gz XDUYGMMSQHPMLF-CYBMUJFWSA-N 1 1 284.256 3.068 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)c(F)cc1F ZINC001237535349 819774484 /nfs/dbraw/zinc/77/44/84/819774484.db2.gz XDUYGMMSQHPMLF-CYBMUJFWSA-N 1 1 284.256 3.068 20 30 CGEDMO N#Cc1ccc2nc(C[N@H+]3CCC[C@@H]4CCCC[C@H]43)cn2c1 ZINC001237615537 819787460 /nfs/dbraw/zinc/78/74/60/819787460.db2.gz XAFFWKXLFFSIHY-DOTOQJQBSA-N 1 1 294.402 3.361 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1 ZINC001237751143 819834614 /nfs/dbraw/zinc/83/46/14/819834614.db2.gz GSMLEHWQABFNFD-DVSIDAKKSA-N 1 1 285.778 3.478 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1 ZINC001237751143 819834622 /nfs/dbraw/zinc/83/46/22/819834622.db2.gz GSMLEHWQABFNFD-DVSIDAKKSA-N 1 1 285.778 3.478 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)c1 ZINC001237747459 819836297 /nfs/dbraw/zinc/83/62/97/819836297.db2.gz BYLARYFYBDTOJV-GOEBONIOSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)c1 ZINC001237747459 819836304 /nfs/dbraw/zinc/83/63/04/819836304.db2.gz BYLARYFYBDTOJV-GOEBONIOSA-N 1 1 290.794 3.213 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccccc2C2CCOCC2)C1 ZINC001237908642 819878725 /nfs/dbraw/zinc/87/87/25/819878725.db2.gz JMMCVYVZXIVUQV-INIZCTEOSA-N 1 1 283.415 3.426 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)c(Cl)c1 ZINC001238084085 819928028 /nfs/dbraw/zinc/92/80/28/819928028.db2.gz ZFTGEBCJUBKYRR-XJKSGUPXSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)c(Cl)c1 ZINC001238084085 819928035 /nfs/dbraw/zinc/92/80/35/819928035.db2.gz ZFTGEBCJUBKYRR-XJKSGUPXSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@@]3(C2)CCCCO3)ccc1Cl ZINC001238188887 819950881 /nfs/dbraw/zinc/95/08/81/819950881.db2.gz JZIJQHUQZHRDQB-MRXNPFEDSA-N 1 1 290.794 3.357 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(C#N)c2)[C@@H](C)C1 ZINC001238195774 819952065 /nfs/dbraw/zinc/95/20/65/819952065.db2.gz LGLPPMQXBVBFJT-SMDDNHRTSA-N 1 1 278.783 3.211 20 30 CGEDMO CC1(C#N)CC[NH+](Cc2cncc(C3CC3)c2)CC1 ZINC001238193491 819952746 /nfs/dbraw/zinc/95/27/46/819952746.db2.gz JMNFXJWNELELQB-UHFFFAOYSA-N 1 1 255.365 3.085 20 30 CGEDMO C=CC[N@H+](Cc1ccc(C#N)c(OC)c1)C(C)(C)C ZINC001238415064 819988268 /nfs/dbraw/zinc/98/82/68/819988268.db2.gz DYQNCNHUGDGSRC-UHFFFAOYSA-N 1 1 258.365 3.353 20 30 CGEDMO CCc1cc(C[N@@H+]2CC[C@@](C)(F)[C@@H](F)C2)ccc1C#N ZINC001238767083 820112332 /nfs/dbraw/zinc/11/23/32/820112332.db2.gz RPCCWGSVHRCMMD-JKSUJKDBSA-N 1 1 278.346 3.393 20 30 CGEDMO CCc1cc(C[N@H+]2CC[C@@](C)(F)[C@@H](F)C2)ccc1C#N ZINC001238767083 820112334 /nfs/dbraw/zinc/11/23/34/820112334.db2.gz RPCCWGSVHRCMMD-JKSUJKDBSA-N 1 1 278.346 3.393 20 30 CGEDMO CCc1cc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)ccc1C#N ZINC001238767325 820112790 /nfs/dbraw/zinc/11/27/90/820112790.db2.gz TVWRMSTYCQMWEM-ZWKOTPCHSA-N 1 1 284.403 3.122 20 30 CGEDMO CCc1cc(C[N@@H+]2CCCC[C@@H]2C(C)=O)ccc1C#N ZINC001238769799 820112917 /nfs/dbraw/zinc/11/29/17/820112917.db2.gz VBNPSXKXSCKZQC-QGZVFWFLSA-N 1 1 270.376 3.064 20 30 CGEDMO CCc1cc(C[N@H+]2CCCC[C@@H]2C(C)=O)ccc1C#N ZINC001238769799 820112921 /nfs/dbraw/zinc/11/29/21/820112921.db2.gz VBNPSXKXSCKZQC-QGZVFWFLSA-N 1 1 270.376 3.064 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(OC)cc2F)C1 ZINC001238795358 820124659 /nfs/dbraw/zinc/12/46/59/820124659.db2.gz UBOQOODCJRHSDZ-LLVKDONJSA-N 1 1 281.758 3.333 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(Cl)c(OC)cc2F)C1 ZINC001238795358 820124666 /nfs/dbraw/zinc/12/46/66/820124666.db2.gz UBOQOODCJRHSDZ-LLVKDONJSA-N 1 1 281.758 3.333 20 30 CGEDMO COc1cc(C)[nH+]cc1-c1cc(F)c(C#N)c(F)c1 ZINC001239927487 820705799 /nfs/dbraw/zinc/70/57/99/820705799.db2.gz KJABUDYLHUOVNB-UHFFFAOYSA-N 1 1 260.243 3.216 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1-c1ccc2[nH]cc(C#N)c2c1 ZINC001241243083 821665088 /nfs/dbraw/zinc/66/50/88/821665088.db2.gz OJCOKBVQEOCDMB-UHFFFAOYSA-N 1 1 276.343 3.476 20 30 CGEDMO N#Cc1c(F)cncc1C1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001241504647 821905704 /nfs/dbraw/zinc/90/57/04/821905704.db2.gz HIDKYVLNHLIBNW-UHFFFAOYSA-N 1 1 293.345 3.382 20 30 CGEDMO N#CCc1cncc(C2=CC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001241504269 821906008 /nfs/dbraw/zinc/90/60/08/821906008.db2.gz CXDUAGJZDFAHAA-UHFFFAOYSA-N 1 1 289.382 3.437 20 30 CGEDMO C[N@H+]1CCC=C(c2cc(C(F)(F)F)ccc2CC#N)C1 ZINC001241570624 821957083 /nfs/dbraw/zinc/95/70/83/821957083.db2.gz LKQSQQYPDQSTSN-UHFFFAOYSA-N 1 1 280.293 3.490 20 30 CGEDMO C[N@H+]1CCCC[C@@H]1c1ccc(-c2cncc(C#N)c2)nc1 ZINC001242274348 822933791 /nfs/dbraw/zinc/93/37/91/822933791.db2.gz PKXMBVRFTOMQJH-QGZVFWFLSA-N 1 1 278.359 3.172 20 30 CGEDMO COc1cccc(-c2ccc(C[N@@H+](C)C3CC3)cn2)c1C#N ZINC001242299188 822943752 /nfs/dbraw/zinc/94/37/52/822943752.db2.gz XLBBFEJDEOCAJA-UHFFFAOYSA-N 1 1 293.370 3.223 20 30 CGEDMO COc1cccc(-c2ccc3c(c2)CC[N@H+](C)C3)c1C#N ZINC001242300472 822944038 /nfs/dbraw/zinc/94/40/38/822944038.db2.gz NZATWTGQDWIRPW-UHFFFAOYSA-N 1 1 278.355 3.222 20 30 CGEDMO Cc1cc(C#N)cc(-c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC001242477741 823006347 /nfs/dbraw/zinc/00/63/47/823006347.db2.gz JUKMEVSSDFGMDX-UHFFFAOYSA-N 1 1 292.382 3.366 20 30 CGEDMO C#CCOCC[N@H+](C)C(c1ccccc1)c1ccccc1 ZINC001340013627 936394938 /nfs/dbraw/zinc/39/49/38/936394938.db2.gz RGSMYICZJLNXKZ-UHFFFAOYSA-N 1 1 279.383 3.358 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001340048225 936395831 /nfs/dbraw/zinc/39/58/31/936395831.db2.gz APJCEFZMIXLEOR-CYBMUJFWSA-N 1 1 255.365 3.318 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC001342228217 936462657 /nfs/dbraw/zinc/46/26/57/936462657.db2.gz IMMNKIHOICEGJV-NVXWUHKLSA-N 1 1 275.367 3.480 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cc(C)nc3c2CCCC3)C1 ZINC001343018665 936486923 /nfs/dbraw/zinc/48/69/23/936486923.db2.gz BTTQFCUGYCNXFW-MRXNPFEDSA-N 1 1 286.419 3.046 20 30 CGEDMO C[NH+](C)[C@@H]1CCCC[C@@H]1NCc1ccc(C2(C#N)CC2)cc1 ZINC001347355390 936881078 /nfs/dbraw/zinc/88/10/78/936881078.db2.gz CVJIXKQBBMPXLO-ZWKOTPCHSA-N 1 1 297.446 3.204 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H](NC(=O)C2CCC(=C)CC2)C1 ZINC001479909830 936922779 /nfs/dbraw/zinc/92/27/79/936922779.db2.gz SJZJRKKUXPDEAA-QGZVFWFLSA-N 1 1 290.451 3.280 20 30 CGEDMO C[N@H+]1C[C@@H]2CC[C@@H](Nc3cccc(C(F)F)c3C#N)[C@H]2C1 ZINC001354394262 937100554 /nfs/dbraw/zinc/10/05/54/937100554.db2.gz GPXGLJVUBWREHF-VZJVUDMVSA-N 1 1 291.345 3.248 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN1CCC[C@H]([NH+](C)C)CC1 ZINC001354711883 937110864 /nfs/dbraw/zinc/11/08/64/937110864.db2.gz UDTZRBOFJREIAM-KRWDZBQOSA-N 1 1 285.435 3.091 20 30 CGEDMO C=CCC[N@H+](C)CCNC(=O)c1cc(CCC)c(C)s1 ZINC001480944481 926832314 /nfs/dbraw/zinc/83/23/14/926832314.db2.gz JJOYOZWXPCJIJI-UHFFFAOYSA-N 1 1 294.464 3.247 20 30 CGEDMO C=CC(C)(C)CC(=O)NCC[N@H+](CC)Cc1ccsc1 ZINC001480977673 926851108 /nfs/dbraw/zinc/85/11/08/926851108.db2.gz XVSRHIOCBSIPFI-UHFFFAOYSA-N 1 1 294.464 3.289 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H]1C=CCCC1 ZINC001481044651 926871982 /nfs/dbraw/zinc/87/19/82/926871982.db2.gz CEZDTQSNRCCGAE-LSDHHAIUSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C[C@H]1C=CCCC1 ZINC001481044651 926871997 /nfs/dbraw/zinc/87/19/97/926871997.db2.gz CEZDTQSNRCCGAE-LSDHHAIUSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](CNC(=O)C2(C)CCCCCC2)C1 ZINC001481094954 926883050 /nfs/dbraw/zinc/88/30/50/926883050.db2.gz DEOJCMFLSMDBOA-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[C@@H](C[N@H+](C)CC(C)C)C1 ZINC001481485071 927000929 /nfs/dbraw/zinc/00/09/29/927000929.db2.gz DWQBMYOLMGIEOO-INIZCTEOSA-N 1 1 292.467 3.191 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)=C2CCC2)C1 ZINC001481485216 927002566 /nfs/dbraw/zinc/00/25/66/927002566.db2.gz FQRWRHGZHJAYAA-AWEZNQCLSA-N 1 1 296.842 3.020 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@@H](C[N@@H+](C)CC=C(C)C)C1 ZINC001481496630 927005241 /nfs/dbraw/zinc/00/52/41/927005241.db2.gz CTFMYQIHOHYZLK-INIZCTEOSA-N 1 1 292.467 3.335 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](CCCC)C(C)C)C1 ZINC001481507606 927008161 /nfs/dbraw/zinc/00/81/61/927008161.db2.gz CIIQAQCJSVJXLL-DLBZAZTESA-N 1 1 294.483 3.415 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCN(C(=O)CCCC2CCCC2)C1 ZINC001481510069 927009067 /nfs/dbraw/zinc/00/90/67/927009067.db2.gz SNKKWYBPOBJNGS-QGZVFWFLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C[C@H](CC)C(C)C)C1 ZINC001481539222 927021757 /nfs/dbraw/zinc/02/17/57/927021757.db2.gz JZGTVURKLKIZJG-HOTGVXAUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CCNC(=O)C1(F)CCCC1)C1CC1 ZINC001493383912 927046139 /nfs/dbraw/zinc/04/61/39/927046139.db2.gz BZVBBNIKKPZOFT-AWEZNQCLSA-N 1 1 296.430 3.204 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCCC ZINC001481676317 927055403 /nfs/dbraw/zinc/05/54/03/927055403.db2.gz CSISBMDJCXUUDK-YQQAZPJKSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)CC2CCCCC2)C1 ZINC001481693717 927058892 /nfs/dbraw/zinc/05/88/92/927058892.db2.gz MQOFKIBAFNTCIJ-SJORKVTESA-N 1 1 292.467 3.360 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001481692976 927060878 /nfs/dbraw/zinc/06/08/78/927060878.db2.gz NTXZZJSSOLGTBP-YJBOKZPZSA-N 1 1 292.467 3.215 20 30 CGEDMO CCCCC[N@H+]1CC[C@H](N(CC)C(=O)C#CC(C)(C)C)C1 ZINC001481766966 927084407 /nfs/dbraw/zinc/08/44/07/927084407.db2.gz UBWYSDYWRCWQSE-INIZCTEOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C[C@H](CC)CC(=O)N(CC)[C@@H]1CC[N@@H+](CC(=C)C)C1 ZINC001481772522 927086206 /nfs/dbraw/zinc/08/62/06/927086206.db2.gz HQYPRMAKAMCKNW-HZPDHXFCSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCCC(=O)N1CCC2(CC[N@@H+](CC3CC3)C2)CC1 ZINC001482070700 927142628 /nfs/dbraw/zinc/14/26/28/927142628.db2.gz UZVXLKCKYLCUFO-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC001502386908 927258959 /nfs/dbraw/zinc/25/89/59/927258959.db2.gz GVOCYFRTKJGSHW-SJORKVTESA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)/C=C\C(C)(C)C ZINC001482586966 927304952 /nfs/dbraw/zinc/30/49/52/927304952.db2.gz UNLBKLVWBHFULA-SSCKCOOKSA-N 1 1 280.456 3.334 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@H](C)C(C)(F)F ZINC001482628798 927334511 /nfs/dbraw/zinc/33/45/11/927334511.db2.gz IBIMCJKQKPTLKM-OLZOCXBDSA-N 1 1 290.398 3.023 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)CCCCC)CC[C@@H]21 ZINC001482658599 927341508 /nfs/dbraw/zinc/34/15/08/927341508.db2.gz URZQRZQCGCSRNA-IRXDYDNUSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)C1CCC(=C)CC1 ZINC001483381261 927493945 /nfs/dbraw/zinc/49/39/45/927493945.db2.gz VGOKAVPEOJLFJY-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]1CNC(=O)C1=CCCC1 ZINC001483644335 927560547 /nfs/dbraw/zinc/56/05/47/927560547.db2.gz PLRCKTVNLCMEBX-INIZCTEOSA-N 1 1 278.440 3.258 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@@H]1CC[N@H+]1CC1=CCCCC1 ZINC001483673112 927565235 /nfs/dbraw/zinc/56/52/35/927565235.db2.gz MXOLEBKZCBBZHS-RDJZCZTQSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC(=O)N1CC[C@@]2(CC[N@H+](CCCCC)C2)C1 ZINC001483844675 927629779 /nfs/dbraw/zinc/62/97/79/927629779.db2.gz ZHTUUFFVCASVBF-QGZVFWFLSA-N 1 1 278.440 3.067 20 30 CGEDMO C=C/C(C)=C/CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(=C)C ZINC001483825974 927630675 /nfs/dbraw/zinc/63/06/75/927630675.db2.gz DFLGXMMTAPFHLC-JJMLKOEDSA-N 1 1 288.435 3.150 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](CC)CCC)C2)C1 ZINC001483833330 927631244 /nfs/dbraw/zinc/63/12/44/927631244.db2.gz JPXJUAHJNBSDHL-SJLPKXTDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C)CCC)C2)C1 ZINC001483839380 927633316 /nfs/dbraw/zinc/63/33/16/927633316.db2.gz VLUMPKCSOIBVJZ-AEFFLSMTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](CC)CCC)C2)C1 ZINC001483846657 927633745 /nfs/dbraw/zinc/63/37/45/927633745.db2.gz IPPJVEHXYQQSMA-FUHWJXTLSA-N 1 1 292.467 3.313 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](CCCC)C(C)C)C1 ZINC001484075183 927670955 /nfs/dbraw/zinc/67/09/55/927670955.db2.gz VYAGCTLWCZDVCT-SJLPKXTDSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)C=C)C1 ZINC001484168541 927687362 /nfs/dbraw/zinc/68/73/62/927687362.db2.gz UVUCTIHIXLWKQS-SFHVURJKSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@H](C)CC ZINC001484458635 927706087 /nfs/dbraw/zinc/70/60/87/927706087.db2.gz BZRPZBFXWSPGQK-ZACQAIPSSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC[N@H+](C)CCCN(C)C(=O)c1ccccc1 ZINC001484731563 927743831 /nfs/dbraw/zinc/74/38/31/927743831.db2.gz VKDRXVVAUVPDSZ-UHFFFAOYSA-N 1 1 274.408 3.047 20 30 CGEDMO C=CCCC(=O)N(C)CCC[N@@H+](C)Cc1ccc(C)cc1 ZINC001484734760 927749844 /nfs/dbraw/zinc/74/98/44/927749844.db2.gz IYSZYLYJLRHKQB-UHFFFAOYSA-N 1 1 288.435 3.242 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)/C(C)=C\C)C(C)(C)C1 ZINC001484931124 927775205 /nfs/dbraw/zinc/77/52/05/927775205.db2.gz DZPAUNAVNUFIAC-XIEDVDOYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)C1(CC)CCC1 ZINC001485065841 927795909 /nfs/dbraw/zinc/79/59/09/927795909.db2.gz OZXCZJDVPTTWNG-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)/C(C)=C/CC ZINC001485051990 927796254 /nfs/dbraw/zinc/79/62/54/927796254.db2.gz SMTVXQHXTUKCQH-KMPOOHAWSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@@H]2C[N@@H+](C)CCC2CC2)C1 ZINC001485069568 927799777 /nfs/dbraw/zinc/79/97/77/927799777.db2.gz PZGQKWJUUJAOOT-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C1(C2CC2)CC1 ZINC001485062371 927801704 /nfs/dbraw/zinc/80/17/04/927801704.db2.gz FRWDGUWAZFGMAC-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)C[C@@H]1CC2CCC1CC2 ZINC001473431746 937199540 /nfs/dbraw/zinc/19/95/40/937199540.db2.gz JUKVSEPMASDTAQ-JCYILVPMSA-N 1 1 264.457 3.252 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)CC(C)(C)C1CC1 ZINC001485477698 927875910 /nfs/dbraw/zinc/87/59/10/927875910.db2.gz XJNSMBNMSUHARD-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCCCCC(=O)NC[C@H]1CCCCC[N@@H+]1CCC=C ZINC001485478472 927876748 /nfs/dbraw/zinc/87/67/48/927876748.db2.gz VAFUZUZNCLOSJA-QGZVFWFLSA-N 1 1 290.451 3.117 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)/C(C)=C\CC ZINC001485474686 927877782 /nfs/dbraw/zinc/87/77/82/927877782.db2.gz RXFZAORWGQAYCV-DDITZMBXSA-N 1 1 278.440 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@]1(C)C=CCC1 ZINC001485479788 927879104 /nfs/dbraw/zinc/87/91/04/927879104.db2.gz HBFKAGQUUVTKSQ-WMZOPIPTSA-N 1 1 290.451 3.280 20 30 CGEDMO C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](C)C(C)(C)C ZINC001485480755 927880169 /nfs/dbraw/zinc/88/01/69/927880169.db2.gz XQVSATYTUAWNIS-HOTGVXAUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)C=C(C)C)C[C@@]2(C)C1 ZINC001485665802 927897375 /nfs/dbraw/zinc/89/73/75/927897375.db2.gz SQVHWLPUFJASJZ-HDICACEKSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@@H+]1CCCC2(CN(C(=O)CCC3(C)CC3)C2)C1 ZINC001485666600 927899007 /nfs/dbraw/zinc/89/90/07/927899007.db2.gz QBSSSYFPDWLQMP-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO CCCCCC[N@@H+](C)C1CCN(C(=O)C#CC(C)C)CC1 ZINC001485756455 927913370 /nfs/dbraw/zinc/91/33/70/927913370.db2.gz FKNHZYMPYMWIET-UHFFFAOYSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C2=CCCC2)[C@@H]1C ZINC001486172443 927993193 /nfs/dbraw/zinc/99/31/93/927993193.db2.gz ZZZNOWYXVKORJK-GOEBONIOSA-N 1 1 276.424 3.032 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)CCCCC(C)C)[C@H]1C ZINC001486184435 927996060 /nfs/dbraw/zinc/99/60/60/927996060.db2.gz UPRLKJRFUSDBNX-IAGOWNOFSA-N 1 1 292.467 3.195 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)[C@@H](C)C1CCC1)C(C)C ZINC001486370489 928009040 /nfs/dbraw/zinc/00/90/40/928009040.db2.gz XVDHBKJJLQYETF-HNNXBMFYSA-N 1 1 280.456 3.168 20 30 CGEDMO C#CC[N@H+](C)CCN(C(=O)C[C@H]1CCCC[C@@H]1C)C(C)C ZINC001486380235 928014807 /nfs/dbraw/zinc/01/48/07/928014807.db2.gz ATFWZWDUSDOFJT-DLBZAZTESA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCCCC(=O)NCC1=CC[N@@H+](C[C@@H](C)CC)CC1 ZINC001486514504 928030368 /nfs/dbraw/zinc/03/03/68/928030368.db2.gz YIKWFGJPFLIDOF-HNNXBMFYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)C[C@H]2CCC[C@@H]2C)CC1 ZINC001486510171 928031277 /nfs/dbraw/zinc/03/12/77/928031277.db2.gz VAPFRTHPGIFGOQ-DOTOQJQBSA-N 1 1 290.451 3.137 20 30 CGEDMO CCCCCCCCC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000144368711 928079768 /nfs/dbraw/zinc/07/97/68/928079768.db2.gz KWBGQDJSQLUOHN-AWEZNQCLSA-N 1 1 266.429 3.090 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)C2=CCCCCC2)C1 ZINC001480726158 937236285 /nfs/dbraw/zinc/23/62/85/937236285.db2.gz XHHXIODEOYVAHJ-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](CCCCCF)[C@@H]1C ZINC001489283336 928325128 /nfs/dbraw/zinc/32/51/28/928325128.db2.gz ZHTXOXXFPWBDII-CABCVRRESA-N 1 1 298.446 3.308 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C1CC(C)C1 ZINC001489323321 928327209 /nfs/dbraw/zinc/32/72/09/928327209.db2.gz VSOOZJSNILRELF-JCYILVPMSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@@H+](C/C=C\Cl)CC(C)(C)C1 ZINC001489343443 928330132 /nfs/dbraw/zinc/33/01/32/928330132.db2.gz GLFHFXXNXDVPIR-PIZKADEWSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCCC[N@H+](C)CCCNC(=O)C1C[C@H](C)C[C@@H](C)C1 ZINC001490283870 928340919 /nfs/dbraw/zinc/34/09/19/928340919.db2.gz XBOHMGWMGWPASM-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)CCCCC ZINC001493163109 928341246 /nfs/dbraw/zinc/34/12/46/928341246.db2.gz RJLMTXLDHXUYSV-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)CC[N@@H+](CCCNC(=O)C=C1CCC1)C1CC1 ZINC001490370702 928352318 /nfs/dbraw/zinc/35/23/18/928352318.db2.gz MWFKSWJYLBMJSA-UHFFFAOYSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCC[N@@H+](CCCNC(=O)C1CCC=CCC1)C1CC1 ZINC001490392701 928353215 /nfs/dbraw/zinc/35/32/15/928353215.db2.gz FWUWRCMIFADEHK-UHFFFAOYSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+](CC)CCCNC(=O)C1C[C@@H](C)C[C@H](C)C1 ZINC001490360191 928353899 /nfs/dbraw/zinc/35/38/99/928353899.db2.gz SAVQDYVZCGBQRW-HOTGVXAUSA-N 1 1 294.483 3.463 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](CCCc2ccc(F)c(F)c2)C1 ZINC001561003320 937239123 /nfs/dbraw/zinc/23/91/23/937239123.db2.gz BQBUGWQEAJXXDC-CYBMUJFWSA-N 1 1 264.319 3.133 20 30 CGEDMO N#C[C@H]1CCC[N@H+](CCCc2ccc(F)c(F)c2)C1 ZINC001561003320 937239124 /nfs/dbraw/zinc/23/91/24/937239124.db2.gz BQBUGWQEAJXXDC-CYBMUJFWSA-N 1 1 264.319 3.133 20 30 CGEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CCCCC)C2)cc1 ZINC001490445217 928359051 /nfs/dbraw/zinc/35/90/51/928359051.db2.gz FTCFIIWGWMMWQS-GOSISDBHSA-N 1 1 298.430 3.052 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)ccc2C)C1 ZINC001490573309 928376476 /nfs/dbraw/zinc/37/64/76/928376476.db2.gz HQHVYOUOOIHNOF-MRXNPFEDSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)[C@H]1CCCC2(CC2)C1 ZINC001492952661 937244229 /nfs/dbraw/zinc/24/42/29/937244229.db2.gz KBVFMSVDBCIOMR-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CC(C)(C)CC(=O)N(CC)[C@H]1CC[N@H+](C[C@@H](F)CC)C1 ZINC001318474185 928437874 /nfs/dbraw/zinc/43/78/74/928437874.db2.gz SNRGTVZQXZTCGM-GJZGRUSLSA-N 1 1 298.446 3.260 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)c1ccc(Cl)[nH]1 ZINC001320042933 928487544 /nfs/dbraw/zinc/48/75/44/928487544.db2.gz SHGJOGMYHDPIGQ-GFCCVEGCSA-N 1 1 297.830 3.027 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)/C=C/C(C)(C)C)C1 ZINC001490982929 928821970 /nfs/dbraw/zinc/82/19/70/928821970.db2.gz FMCXUXMHCMJCPQ-CABXGAGESA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)C[C@@H]2C=CCC2)C1 ZINC001491090913 928829722 /nfs/dbraw/zinc/82/97/22/928829722.db2.gz ZXMYKLFAEPGEEC-IAGOWNOFSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)CCC(C)C)C1 ZINC001491089278 928830863 /nfs/dbraw/zinc/83/08/63/928830863.db2.gz KYCJCTPDLKZCCN-INIZCTEOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](CC)CCCC ZINC001491200642 928841997 /nfs/dbraw/zinc/84/19/97/928841997.db2.gz OZPOBRWEBGOYAR-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CCCCCC(=O)N[C@H](C)[C@H]1CCC[N@H+](CCCC)C1 ZINC001491289352 928853141 /nfs/dbraw/zinc/85/31/41/928853141.db2.gz MNEMIJHXECICPK-SJORKVTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=C[C@H](OC(=O)[C@@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001437643913 937296568 /nfs/dbraw/zinc/29/65/68/937296568.db2.gz WRPHLKNVRRVLJA-HOTGVXAUSA-N 1 1 273.376 3.330 20 30 CGEDMO C=CC1(CC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CCCCC1 ZINC001445778259 937359169 /nfs/dbraw/zinc/35/91/69/937359169.db2.gz CGIUGOZKBVGDTH-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[C@@H](CC)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001448567163 937375822 /nfs/dbraw/zinc/37/58/22/937375822.db2.gz WNHJJXPXMDKLHS-GDBMZVCRSA-N 1 1 278.440 3.254 20 30 CGEDMO C=CCC[C@@H]1CCCN1C(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001456718114 937434700 /nfs/dbraw/zinc/43/47/00/937434700.db2.gz GQFFALDHAURTCI-XUWVNRHRSA-N 1 1 278.440 3.205 20 30 CGEDMO C#CC[N@H+](C[C@@H](OC)C1CCCC1)C1CCCCC1 ZINC001459394100 937487341 /nfs/dbraw/zinc/48/73/41/937487341.db2.gz URPMSLDFSRMPMM-QGZVFWFLSA-N 1 1 263.425 3.460 20 30 CGEDMO C#CC[N@@H+](CC1CC1)[C@@H](CC)C(=O)Nc1ccc(C)cc1 ZINC001459772010 937499327 /nfs/dbraw/zinc/49/93/27/937499327.db2.gz ATLFTINSHDPYHZ-KRWDZBQOSA-N 1 1 284.403 3.057 20 30 CGEDMO C#CC[N@@H+](CC1CC1)[C@H](CC)C(=O)Nc1ccc(C)cc1 ZINC001459772014 937499918 /nfs/dbraw/zinc/49/99/18/937499918.db2.gz ATLFTINSHDPYHZ-QGZVFWFLSA-N 1 1 284.403 3.057 20 30 CGEDMO C=CCCCCC[N@@H+]1CCN(CCC)C(=O)C1(C)C ZINC001459994649 937509323 /nfs/dbraw/zinc/50/93/23/937509323.db2.gz XYCWTOIWCBDONH-UHFFFAOYSA-N 1 1 266.429 3.066 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2noc3c2CC(C)(C)CC3)C1 ZINC001460289672 937524872 /nfs/dbraw/zinc/52/48/72/937524872.db2.gz MXJYQZKNCJFEQG-AWEZNQCLSA-N 1 1 286.419 3.425 20 30 CGEDMO C#CC[N@@H+](C[C@H]1CC2(CO1)CCCCC2)C(C)(C)C ZINC001460807028 937546303 /nfs/dbraw/zinc/54/63/03/937546303.db2.gz LHLMSCWWUNZEPG-OAHLLOKOSA-N 1 1 263.425 3.460 20 30 CGEDMO CCC#C[C@@H](C)[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC001460804977 937545768 /nfs/dbraw/zinc/54/57/68/937545768.db2.gz VELWHTKZHARXCF-RLLQIKCJSA-N 1 1 296.458 3.242 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC001460804977 937545770 /nfs/dbraw/zinc/54/57/70/937545770.db2.gz VELWHTKZHARXCF-RLLQIKCJSA-N 1 1 296.458 3.242 20 30 CGEDMO CCC#C[C@@H](C)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001460804977 937545771 /nfs/dbraw/zinc/54/57/71/937545771.db2.gz VELWHTKZHARXCF-RLLQIKCJSA-N 1 1 296.458 3.242 20 30 CGEDMO CCC#C[C@@H](C)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001460804977 937545774 /nfs/dbraw/zinc/54/57/74/937545774.db2.gz VELWHTKZHARXCF-RLLQIKCJSA-N 1 1 296.458 3.242 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1CCCSCCOC ZINC001460887469 937548016 /nfs/dbraw/zinc/54/80/16/937548016.db2.gz UWJWQGSOYXRVCU-AWEZNQCLSA-N 1 1 257.443 3.187 20 30 CGEDMO Cc1ncccc1C[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC001139530208 931953505 /nfs/dbraw/zinc/95/35/05/931953505.db2.gz MBGYDYOFIWYNDU-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO Cc1ncccc1C[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC001139530208 931953507 /nfs/dbraw/zinc/95/35/07/931953507.db2.gz MBGYDYOFIWYNDU-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO C[N@H+](Cc1cncs1)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140115773 931955727 /nfs/dbraw/zinc/95/57/27/931955727.db2.gz KUOQZCDPWHRLCK-UHFFFAOYSA-N 1 1 282.372 3.128 20 30 CGEDMO C[N@@H+](Cc1cncs1)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140115773 931955731 /nfs/dbraw/zinc/95/57/31/931955731.db2.gz KUOQZCDPWHRLCK-UHFFFAOYSA-N 1 1 282.372 3.128 20 30 CGEDMO C#C[C@H]1CCCC[N@@H+]1CC[C@@H](C)OCc1ccccc1 ZINC001460913735 937552383 /nfs/dbraw/zinc/55/23/83/937552383.db2.gz BJZVDZMNDDURDZ-AEFFLSMTSA-N 1 1 271.404 3.470 20 30 CGEDMO C[N@@H+](Cc1cccc(F)c1)Cc1cc(F)cc(C#N)c1 ZINC000163538350 932003323 /nfs/dbraw/zinc/00/33/23/932003323.db2.gz BXDITXAIWWEMPO-UHFFFAOYSA-N 1 1 272.298 3.468 20 30 CGEDMO C[N@H+]1CCc2cc(OC3CCC(C#N)CC3)ccc2C1 ZINC001228936804 932054373 /nfs/dbraw/zinc/05/43/73/932054373.db2.gz NMGYPXITRDDFIT-UHFFFAOYSA-N 1 1 270.376 3.136 20 30 CGEDMO C[N@H+]1CCC[C@H](Oc2ccc(C3(C#N)CC3)cc2)CC1 ZINC001229939122 932506498 /nfs/dbraw/zinc/50/64/98/932506498.db2.gz WOFJBEDMVQIJOI-HNNXBMFYSA-N 1 1 270.376 3.105 20 30 CGEDMO C=CCCC(=O)N1CCC([C@H]2CCC[N@@H+]2CC(=C)C)CC1 ZINC001230534017 932584974 /nfs/dbraw/zinc/58/49/74/932584974.db2.gz YUEKNVIOOSRSJY-QGZVFWFLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@@H](C)CC)CC1 ZINC001230558037 932588202 /nfs/dbraw/zinc/58/82/02/932588202.db2.gz UZZVODZFFZTTFC-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C1CCCCC1 ZINC001230646925 932602895 /nfs/dbraw/zinc/60/28/95/932602895.db2.gz YVZFKYCCVTXAQJ-DOTOQJQBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)oc1C ZINC001230721645 932615125 /nfs/dbraw/zinc/61/51/25/932615125.db2.gz TXBZREBDQDENAK-HNNXBMFYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CC[C@@H]([NH2+][C@H](CC)CCC(F)(F)F)C(=O)OCC ZINC001462194264 937623795 /nfs/dbraw/zinc/62/37/95/937623795.db2.gz YKKMHSFGNMOSIU-GHMZBOCLSA-N 1 1 281.318 3.205 20 30 CGEDMO C=CC[N@@H+](CCOC)CCc1ccc(C(C)C)cc1 ZINC001462187611 937623867 /nfs/dbraw/zinc/62/38/67/937623867.db2.gz FAWNFFFAHJJGOJ-UHFFFAOYSA-N 1 1 261.409 3.487 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CC(=C)C)[C@H]1C ZINC001332208736 932735180 /nfs/dbraw/zinc/73/51/80/932735180.db2.gz WWSSEPBJOMOSAV-LSDHHAIUSA-N 1 1 278.440 3.134 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(CC(F)(F)F)cc1 ZINC001462157310 937621583 /nfs/dbraw/zinc/62/15/83/937621583.db2.gz LANKXDIWRBFWGE-LLVKDONJSA-N 1 1 255.283 3.245 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H](CC)C(C)(C)C ZINC001316606477 932746136 /nfs/dbraw/zinc/74/61/36/932746136.db2.gz OIXHOGGJSAQCLG-HOTGVXAUSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CC[C@H]([NH2+]C[C@H](C)C1CCCCC1)C(=O)OCC ZINC001462186346 937623004 /nfs/dbraw/zinc/62/30/04/937623004.db2.gz CRZKITATQLHBPT-ZFWWWQNUSA-N 1 1 267.413 3.300 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)CC2CCC2)C1 ZINC001491923955 932795934 /nfs/dbraw/zinc/79/59/34/932795934.db2.gz VARKCNPZEPSQRY-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)CCC(C)C)C1 ZINC001491906426 932796876 /nfs/dbraw/zinc/79/68/76/932796876.db2.gz HEKOGEHEHVUDIB-AWEZNQCLSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)CCC(C)C)C1 ZINC001491906426 932796881 /nfs/dbraw/zinc/79/68/81/932796881.db2.gz HEKOGEHEHVUDIB-AWEZNQCLSA-N 1 1 286.847 3.098 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001492159927 932807041 /nfs/dbraw/zinc/80/70/41/932807041.db2.gz LZAXKDDXKYNPHF-ARFHVFGLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)C[C@@H](CC)C(C)C)C1 ZINC001493253730 932813089 /nfs/dbraw/zinc/81/30/89/932813089.db2.gz DYPYPKUYFVKCGR-JKSUJKDBSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2(F)CCCCC2)C1 ZINC001317206796 932819015 /nfs/dbraw/zinc/81/90/15/932819015.db2.gz SYXOOFCHAQYCKI-HUUCEWRRSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)C(C)=C2CCCC2)C1 ZINC001317368948 932855589 /nfs/dbraw/zinc/85/55/89/932855589.db2.gz CIBVWMIAGJSQKP-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO CC[N@H+](C[C@H](C)C#N)C[C@@H]1CC2(CO1)CCCCC2 ZINC001307438497 932952374 /nfs/dbraw/zinc/95/23/74/932952374.db2.gz KQMFFGXRIJSVJX-CABCVRRESA-N 1 1 264.413 3.207 20 30 CGEDMO CC[N@@H+](C[C@H](C)C#N)C[C@@H]1CC2(CO1)CCCCC2 ZINC001307438497 932952380 /nfs/dbraw/zinc/95/23/80/932952380.db2.gz KQMFFGXRIJSVJX-CABCVRRESA-N 1 1 264.413 3.207 20 30 CGEDMO C=CCCCC[N@H+](C)[C@@H]1CCN(c2ccccc2)C1=O ZINC001307552628 932968717 /nfs/dbraw/zinc/96/87/17/932968717.db2.gz AMOGCBCUPKFKHA-MRXNPFEDSA-N 1 1 272.392 3.080 20 30 CGEDMO C=C(C)C[C@H]([NH2+]C1CCC(C2CCC2)CC1)C(=O)OC ZINC001462504798 937645996 /nfs/dbraw/zinc/64/59/96/937645996.db2.gz LNGYYIZZFDXCMV-GPANFISMSA-N 1 1 279.424 3.443 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCNC(=O)CCc1ccc(C)s1 ZINC001317472720 932999354 /nfs/dbraw/zinc/99/93/54/932999354.db2.gz JUOQXBWELBQDKV-UHFFFAOYSA-N 1 1 294.464 3.003 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@@]1(O)CCc2ccccc21 ZINC001307869100 933012141 /nfs/dbraw/zinc/01/21/41/933012141.db2.gz XOVRFTCGJSKDQK-SFHVURJKSA-N 1 1 273.420 3.499 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@H+]2CC[C@H](C3CCCCC3)C2)CCC1 ZINC001307910982 933017924 /nfs/dbraw/zinc/01/79/24/933017924.db2.gz PFJVWQMBBRELQE-DLBZAZTESA-N 1 1 290.451 3.333 20 30 CGEDMO C=C(C)C[N@@H+](C)CCc1cccc2c1OC(F)(F)O2 ZINC001307946193 933024030 /nfs/dbraw/zinc/02/40/30/933024030.db2.gz RKLIWQPMLBNUBP-UHFFFAOYSA-N 1 1 269.291 3.059 20 30 CGEDMO N#Cc1ccccc1OCC[N@@H+](CCC1CC1)CC1CC1 ZINC001307955552 933026300 /nfs/dbraw/zinc/02/63/00/933026300.db2.gz ZIAJCEMDSHDSQH-UHFFFAOYSA-N 1 1 284.403 3.449 20 30 CGEDMO N#Cc1cnccc1C[N@@H+]1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001307996164 933031818 /nfs/dbraw/zinc/03/18/18/933031818.db2.gz IDXBQKODEXANJI-QRQLOZEOSA-N 1 1 289.382 3.189 20 30 CGEDMO C#CC[N@H+](C[C@H]1CCCN1C(=O)OC(C)(C)C)C(C)(C)C ZINC001308088452 933046300 /nfs/dbraw/zinc/04/63/00/933046300.db2.gz POWBPGOGUHKIKM-CQSZACIVSA-N 1 1 294.439 3.120 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc(F)c(F)c1 ZINC001308137660 933055745 /nfs/dbraw/zinc/05/57/45/933055745.db2.gz SOKYUBADTOUFBC-BBRMVZONSA-N 1 1 281.346 3.429 20 30 CGEDMO C#C[C@H]1CCCC[N@@H+]1Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC001308140327 933056343 /nfs/dbraw/zinc/05/63/43/933056343.db2.gz GFXWSNPNBWYFDG-INIZCTEOSA-N 1 1 295.382 3.398 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001308148322 933057990 /nfs/dbraw/zinc/05/79/90/933057990.db2.gz BYWCZCXHOCUUNR-IYBDPMFKSA-N 1 1 254.377 3.407 20 30 CGEDMO N#Cc1ccc(NC(=O)C[N@H+]2CC=CC23CCCCC3)cc1 ZINC001308170001 933065465 /nfs/dbraw/zinc/06/54/65/933065465.db2.gz BWYZHXOOFUUFNM-UHFFFAOYSA-N 1 1 295.386 3.071 20 30 CGEDMO C=CCC[C@@H]([NH2+][C@@H]1CCCC(C)(C)C1)C(=O)OCC ZINC001308769132 933174002 /nfs/dbraw/zinc/17/40/02/933174002.db2.gz FYOUZBMLBYCAHZ-ZIAGYGMSSA-N 1 1 267.413 3.443 20 30 CGEDMO C=CCCC[N@@H+](CC)Cc1ccc(O)c(F)c1F ZINC001308968975 933216659 /nfs/dbraw/zinc/21/66/59/933216659.db2.gz LVAJJCXPZOCOHG-UHFFFAOYSA-N 1 1 255.308 3.459 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1ccc(O)c(F)c1F ZINC001308968975 933216662 /nfs/dbraw/zinc/21/66/62/933216662.db2.gz LVAJJCXPZOCOHG-UHFFFAOYSA-N 1 1 255.308 3.459 20 30 CGEDMO C=CC[C@H]1CCCC[C@H]1NC(=O)NCC[N@H+](CC)CCC ZINC001312158168 933341033 /nfs/dbraw/zinc/34/10/33/933341033.db2.gz RSKOIMBKAANEHY-JKSUJKDBSA-N 1 1 295.471 3.152 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)CCCCCC)[C@H]1C ZINC001316794964 933482078 /nfs/dbraw/zinc/48/20/78/933482078.db2.gz BBKGDXTXBHEXHP-ZACQAIPSSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCC[N@@H+](C)CCCNC(=O)c1sccc1C1CC1 ZINC001316864074 933487213 /nfs/dbraw/zinc/48/72/13/933487213.db2.gz AMSVZXRMOJWQPP-UHFFFAOYSA-N 1 1 292.448 3.253 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)[C@@H]1CCCC[C@@H]1CC)C1CC1 ZINC001316929712 933497802 /nfs/dbraw/zinc/49/78/02/933497802.db2.gz HOUOWLXUVKTIFL-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC(=O)N[C@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC001316940473 933500249 /nfs/dbraw/zinc/50/02/49/933500249.db2.gz QZOVPLXWXFECLA-DBEXCURXSA-N 1 1 298.430 3.247 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)CCCC ZINC001317042454 933517849 /nfs/dbraw/zinc/51/78/49/933517849.db2.gz IFQVXPBZOONHKL-YESZJQIVSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC1(C(=O)N2CCC[C@H](C[N@H+](C)CCC)C2)CCC1 ZINC001317040400 933518605 /nfs/dbraw/zinc/51/86/05/933518605.db2.gz DAHWXZJPAWDFML-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC[C@H](C[N@@H+](C)CC(C)C)C1 ZINC001317038057 933518970 /nfs/dbraw/zinc/51/89/70/933518970.db2.gz FQPGOUUJYGJMKO-DLBZAZTESA-N 1 1 294.483 3.415 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)CC)C1 ZINC001317039005 933520017 /nfs/dbraw/zinc/52/00/17/933520017.db2.gz NHPWQDVZUBBXMA-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)C2(C)CC=CC2)C1 ZINC001317044764 933521503 /nfs/dbraw/zinc/52/15/03/933521503.db2.gz RWURVZYLFNEGIK-MRXNPFEDSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C=C(C)C)C1 ZINC001317100940 933531846 /nfs/dbraw/zinc/53/18/46/933531846.db2.gz NBJZCCXWJSVPFD-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)CCCC[C@H](C)CC)C1 ZINC001317133313 933537263 /nfs/dbraw/zinc/53/72/63/933537263.db2.gz YLRIZGKSGMTFET-SJORKVTESA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H](CNC(=O)CC2CCCC2)C1 ZINC001317134403 933537755 /nfs/dbraw/zinc/53/77/55/933537755.db2.gz WGUOSNQRIVJHML-KRWDZBQOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)C(C)=C1CCC1 ZINC001317171121 933543716 /nfs/dbraw/zinc/54/37/16/933543716.db2.gz NSBYUMNBUCMKBG-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](C)CCCCC ZINC001317175956 933547942 /nfs/dbraw/zinc/54/79/42/933547942.db2.gz INGYWFSLYNIVCD-DLBZAZTESA-N 1 1 292.467 3.197 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)CCC)C1 ZINC001317208845 933553770 /nfs/dbraw/zinc/55/37/70/933553770.db2.gz MCSFJLDVKLNMQX-JKSUJKDBSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CC2(C)CC2)C1 ZINC001317207712 933554747 /nfs/dbraw/zinc/55/47/47/933554747.db2.gz HONUKNSYGVRKOB-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)CCCC2CC2)C1 ZINC001317378773 933582079 /nfs/dbraw/zinc/58/20/79/933582079.db2.gz JLDWGYVFOJKXPM-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H]1CCCNC(=O)C1=CCCC1 ZINC001317424887 933590422 /nfs/dbraw/zinc/59/04/22/933590422.db2.gz LNOYEMJMJOSQHM-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC1(C)C ZINC001317429519 933590651 /nfs/dbraw/zinc/59/06/51/933590651.db2.gz IVOFRHBIBTZITI-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H]1CCCNC(=O)c1ccco1 ZINC001317417267 933592351 /nfs/dbraw/zinc/59/23/51/933592351.db2.gz WXYQXUWOFUVYDT-HNNXBMFYSA-N 1 1 290.407 3.220 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCCC1(C)C ZINC001317456146 933594075 /nfs/dbraw/zinc/59/40/75/933594075.db2.gz DZQUOTHRLBAKQI-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCCC1(C)C ZINC001317456142 933594798 /nfs/dbraw/zinc/59/47/98/933594798.db2.gz DZQUOTHRLBAKQI-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)c1ccc(Cl)[nH]1 ZINC001317486478 933602973 /nfs/dbraw/zinc/60/29/73/933602973.db2.gz XHHSAPGXNOBMEY-LBPRGKRZSA-N 1 1 297.830 3.075 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)[C@@H]1CCCC[C@H]1C1CC1 ZINC001317542666 933615533 /nfs/dbraw/zinc/61/55/33/933615533.db2.gz HFWPXVMXNBRJFN-DLBZAZTESA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(Cl)C[N@H+](CCC)CCNC(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC001317543715 933615576 /nfs/dbraw/zinc/61/55/76/933615576.db2.gz SRCWNIHLVRGEAN-RRFJBIMHSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+](CCC)CCNC(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC001317543715 933615578 /nfs/dbraw/zinc/61/55/78/933615578.db2.gz SRCWNIHLVRGEAN-RRFJBIMHSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(C)CC[N@H+](CCNC(=O)C[C@H]1CCC[C@H]1C)C1CC1 ZINC001317550928 933618767 /nfs/dbraw/zinc/61/87/67/933618767.db2.gz DCSXQNZNGCFNCO-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+](CCCNC(=O)C#CC(C)(C)C)C(C)C ZINC001317685855 933632857 /nfs/dbraw/zinc/63/28/57/933632857.db2.gz FCEIUGYMJZSGMH-UHFFFAOYSA-N 1 1 292.467 3.219 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)CC ZINC001317741114 933640541 /nfs/dbraw/zinc/64/05/41/933640541.db2.gz WMLUGMBBRLQTEW-VVLHAWIVSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CCC)C(=O)C2CC(C)C2)C1 ZINC001317753210 933642248 /nfs/dbraw/zinc/64/22/48/933642248.db2.gz BYQHVNGPNHMZDV-JCYILVPMSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H](C)CC)C1 ZINC001317754370 933644842 /nfs/dbraw/zinc/64/48/42/933644842.db2.gz RAQXHZYTHUAWLD-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO CCCCC[N@H+]1CC[C@@H](N(CCC)C(=O)C#CC(C)C)C1 ZINC001317757965 933645251 /nfs/dbraw/zinc/64/52/51/933645251.db2.gz BKFPGIUBNSMLKR-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](CCNC(=O)C2CC(C)(C)C2)C1 ZINC001317781913 933649728 /nfs/dbraw/zinc/64/97/28/933649728.db2.gz KDFFBALSPNEIDE-HNNXBMFYSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC(C)(C)CC(=O)NCC[C@@H]1CC[N@H+](CCCC)C1 ZINC001317790270 933649770 /nfs/dbraw/zinc/64/97/70/933649770.db2.gz QPZDVHXKGUMBCN-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001317847992 933656452 /nfs/dbraw/zinc/65/64/52/933656452.db2.gz JXRZGOAQUXZSPX-HOTGVXAUSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C/C(C)=C\CC(=O)N1CC[C@@H](C[N@H+](C)CC(=C)Cl)C1 ZINC001317848882 933658600 /nfs/dbraw/zinc/65/86/00/933658600.db2.gz PXNZRPOZURRRSJ-OEWWAVFSSA-N 1 1 296.842 3.042 20 30 CGEDMO C=CCC[N@H+](C)CC1CCN(C(=O)CC(C)=C(C)C)CC1 ZINC001317876389 933661683 /nfs/dbraw/zinc/66/16/83/933661683.db2.gz WGANWMIAPWJZAU-UHFFFAOYSA-N 1 1 292.467 3.479 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)/C=C\C(C)(C)C)C1 ZINC001317926047 933664744 /nfs/dbraw/zinc/66/47/44/933664744.db2.gz VBGRLNAXKKYQPY-WKTRQSJXSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@](C)(CC)CCC)C1 ZINC001317948044 933666824 /nfs/dbraw/zinc/66/68/24/933666824.db2.gz OMINBILEJZHLMV-NVXWUHKLSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)CCC ZINC001318190665 933692502 /nfs/dbraw/zinc/69/25/02/933692502.db2.gz OOORIGGFAWJHDG-JYJNAYRXSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCCCCCC ZINC001318224874 933699199 /nfs/dbraw/zinc/69/91/99/933699199.db2.gz RGTGVJWKDMCWKJ-HOTGVXAUSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCCCCCC ZINC001318224874 933699202 /nfs/dbraw/zinc/69/92/02/933699202.db2.gz RGTGVJWKDMCWKJ-HOTGVXAUSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[N@@H+](CC/C=C/c2ccccc2)C1 ZINC001318318913 933709550 /nfs/dbraw/zinc/70/95/50/933709550.db2.gz FBGALYKLVQERDI-JGZYNSJSSA-N 1 1 298.430 3.247 20 30 CGEDMO C=CC(C)(C)CC(=O)N(C)[C@@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001318405733 933721527 /nfs/dbraw/zinc/72/15/27/933721527.db2.gz AKSSDANJHJVLFH-OAHLLOKOSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)CC=C)C1 ZINC001318435879 933723057 /nfs/dbraw/zinc/72/30/57/933723057.db2.gz BXJXTDZUUZHEQC-HOTGVXAUSA-N 1 1 292.467 3.476 20 30 CGEDMO C=CC(C)(C)C(=O)N(C)[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001318421967 933723419 /nfs/dbraw/zinc/72/34/19/933723419.db2.gz HAOVFZJLGQZBPW-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](N(CC)C(=O)c2ccco2)C1 ZINC001318453242 933729863 /nfs/dbraw/zinc/72/98/63/933729863.db2.gz KFVCOLWGKWUSMP-GJZGRUSLSA-N 1 1 290.407 3.171 20 30 CGEDMO C=C(C)CCC(=O)Nc1cccc2c1C[N@H+](C1CC1)C2 ZINC001466605792 937710606 /nfs/dbraw/zinc/71/06/06/937710606.db2.gz INGYYEBCSYLZRC-UHFFFAOYSA-N 1 1 270.376 3.459 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)C[C@H]1CCCC[C@@H]1C ZINC001467727615 937721693 /nfs/dbraw/zinc/72/16/93/937721693.db2.gz MYEGIAVLUSQUIL-JKSUJKDBSA-N 1 1 280.456 3.169 20 30 CGEDMO C#CC[N@@H+](CCCc1nc(-c2ccccc2)no1)CC1CC1 ZINC001319458356 933879219 /nfs/dbraw/zinc/87/92/19/933879219.db2.gz KZLIQGUWPZCKDY-UHFFFAOYSA-N 1 1 295.386 3.014 20 30 CGEDMO C#CC[N@H+](CCCC(=O)Nc1c(C)cccc1C)CC1CC1 ZINC001319552284 933891799 /nfs/dbraw/zinc/89/17/99/933891799.db2.gz OOZIHFOIIYVNDT-UHFFFAOYSA-N 1 1 298.430 3.367 20 30 CGEDMO C=CCC1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CCCC1 ZINC001467990308 937723734 /nfs/dbraw/zinc/72/37/34/937723734.db2.gz FHLAUSSBIISFMY-CVEARBPZSA-N 1 1 290.451 3.256 20 30 CGEDMO C#CCOCC[N@@H+](C)CCCc1ccc(C(F)(F)F)cc1 ZINC001319774388 933931328 /nfs/dbraw/zinc/93/13/28/933931328.db2.gz PFLGMAGSCIVYGO-UHFFFAOYSA-N 1 1 299.336 3.220 20 30 CGEDMO C=CC[N@H+](C)CCC1CCN(C(=O)/C(C)=C/CC)CC1 ZINC001319875493 933948752 /nfs/dbraw/zinc/94/87/52/933948752.db2.gz VIJQEONMKRYGDK-VIZOYTHASA-N 1 1 278.440 3.089 20 30 CGEDMO C#CC[N@H+](C)CCC1CCN(C(=O)[C@H](C)CCCC)CC1 ZINC001319876045 933948963 /nfs/dbraw/zinc/94/89/63/933948963.db2.gz DURAMUJPRAXRPK-MRXNPFEDSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCCC(=O)N(C)CC[N@@H+](C)Cc1cc(C)sc1C ZINC001319981194 933972477 /nfs/dbraw/zinc/97/24/77/933972477.db2.gz NBRGQUHBLUHLDE-UHFFFAOYSA-N 1 1 294.464 3.221 20 30 CGEDMO CC[N@H+]1CCC[C@@H](CN[C@@H](C)c2ccc(C#N)c(F)c2)C1 ZINC001320096293 933999131 /nfs/dbraw/zinc/99/91/31/933999131.db2.gz RHQNUFMYVVZKSB-KBPBESRZSA-N 1 1 289.398 3.080 20 30 CGEDMO C=C[C@H](COC)[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC001320591466 934071827 /nfs/dbraw/zinc/07/18/27/934071827.db2.gz GUNVLHZWXFGHOB-CYBMUJFWSA-N 1 1 274.389 3.101 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](CC[C@@H](C)OCc2ccccc2)C1 ZINC001320793204 934104909 /nfs/dbraw/zinc/10/49/09/934104909.db2.gz PYQUXNPNYNIYGK-AEFFLSMTSA-N 1 1 289.419 3.259 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cc(OC)ccc2Cl)C1 ZINC001320836044 934110458 /nfs/dbraw/zinc/11/04/58/934110458.db2.gz GUEMHUPJJNGEIN-CQSZACIVSA-N 1 1 281.783 3.126 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](CCc2c(F)cccc2Cl)C1 ZINC001320899993 934121742 /nfs/dbraw/zinc/12/17/42/934121742.db2.gz ZSWLPSDKKMSFIV-GFCCVEGCSA-N 1 1 283.774 3.299 20 30 CGEDMO Cc1ccc(N[NH2+]C2=CC(=O)N3CCCC[C@H]23)cc1Cl ZINC001321668478 934202389 /nfs/dbraw/zinc/20/23/89/934202389.db2.gz HHCDREDGYMSYJR-CQSZACIVSA-N 1 1 291.782 3.201 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@H](C)NC(=O)/C=C/c1ccco1 ZINC001322103592 934243276 /nfs/dbraw/zinc/24/32/76/934243276.db2.gz JWOQVAGXLURRJP-BWLFODOESA-N 1 1 290.407 3.084 20 30 CGEDMO Cc1cc(C[N@H+](Cc2ccccc2)[C@H](C)CO)ccc1C#N ZINC001322147857 934252139 /nfs/dbraw/zinc/25/21/39/934252139.db2.gz BXSYYHXZECQEBX-MRXNPFEDSA-N 1 1 294.398 3.250 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001322307971 934275368 /nfs/dbraw/zinc/27/53/68/934275368.db2.gz URBXLXNHCWTIGY-NNGSBXSVSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC001323196739 934374538 /nfs/dbraw/zinc/37/45/38/934374538.db2.gz ASAUXKSHNGSAOX-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C)CC1CCCCC1 ZINC001323317380 934387233 /nfs/dbraw/zinc/38/72/33/934387233.db2.gz GRSMQNZBCWTBAB-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](C2CCN(C(=O)CC)CC2)C1 ZINC001323627362 934414200 /nfs/dbraw/zinc/41/42/00/934414200.db2.gz BWUZABPXQJJYDX-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@@H](C)CC)C2)C1 ZINC001323800651 934428075 /nfs/dbraw/zinc/42/80/75/934428075.db2.gz AYMRZJNPMPUHIJ-WMZOPIPTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(=C)C ZINC001324532743 934519464 /nfs/dbraw/zinc/51/94/64/934519464.db2.gz KFPBKOYLHDZIIK-CVEARBPZSA-N 1 1 290.451 3.230 20 30 CGEDMO CC#CCCCC(=O)N[C@]1(C)CC[N@H+](CC(CC)CC)C1 ZINC001324640473 934537926 /nfs/dbraw/zinc/53/79/26/934537926.db2.gz ARUUFBHWBBLQCF-GOSISDBHSA-N 1 1 292.467 3.197 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@H](CC(C)C)OC ZINC001473137847 937794061 /nfs/dbraw/zinc/79/40/61/937794061.db2.gz ZNJYCQOWKBENFT-KRWDZBQOSA-N 1 1 277.383 3.322 20 30 CGEDMO C=CC[N@H+](C[C@H](C)COCc1ccccc1)C1CC1 ZINC001473304903 937801195 /nfs/dbraw/zinc/80/11/95/937801195.db2.gz HOEXUFRXELQULN-HNNXBMFYSA-N 1 1 259.393 3.490 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)C=C(C)C)C1 ZINC001324910423 934871313 /nfs/dbraw/zinc/87/13/13/934871313.db2.gz RZXOGCMJAFFQTR-KRWDZBQOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccc(C(C)C)nc2C)C1 ZINC001324941891 934875116 /nfs/dbraw/zinc/87/51/16/934875116.db2.gz WFGSXZHHRXWJNZ-INIZCTEOSA-N 1 1 274.408 3.290 20 30 CGEDMO CCCCCCC[N@@H+]1CCNC(=O)[C@H]1c1cccc(C)c1 ZINC001473604173 937812831 /nfs/dbraw/zinc/81/28/31/937812831.db2.gz FKJBUXVXOLSSNG-QGZVFWFLSA-N 1 1 288.435 3.438 20 30 CGEDMO CCCCCCC[N@H+]1CCNC(=O)[C@H]1c1cccc(C)c1 ZINC001473604173 937812833 /nfs/dbraw/zinc/81/28/33/937812833.db2.gz FKJBUXVXOLSSNG-QGZVFWFLSA-N 1 1 288.435 3.438 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@H](C)[C@H](C)CC)C[C@H]2C1 ZINC001325765811 934928633 /nfs/dbraw/zinc/92/86/33/934928633.db2.gz ATAMEBZEQNERCY-VQHPVUNQSA-N 1 1 292.467 3.025 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](C[C@H](OC)C2CCCCC2)C1 ZINC001473581072 937812606 /nfs/dbraw/zinc/81/26/06/937812606.db2.gz HBOJXAZKSCAIGA-WBVHZDCISA-N 1 1 263.425 3.317 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](F)CC ZINC001325895187 934938014 /nfs/dbraw/zinc/93/80/14/934938014.db2.gz DHAMHKULPPOMBQ-BZUAXINKSA-N 1 1 296.430 3.156 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C)C(CC)CC)[C@@H]2C1 ZINC001325942114 934940150 /nfs/dbraw/zinc/94/01/50/934940150.db2.gz GXHVVRMTIHZNSE-BHYGNILZSA-N 1 1 292.467 3.168 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1ccc(F)c(OC)c1)c1ccc(F)cc1 ZINC001326021697 934945181 /nfs/dbraw/zinc/94/51/81/934945181.db2.gz MJCBVNPFZAJDSG-MRXNPFEDSA-N 1 1 287.309 3.438 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccccc1CNC(=O)c1ccoc1 ZINC001326444836 934980185 /nfs/dbraw/zinc/98/01/85/934980185.db2.gz FPFGOHFUMKZZLT-UHFFFAOYSA-N 1 1 298.386 3.218 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C)o2)CC1 ZINC001327095767 935027879 /nfs/dbraw/zinc/02/78/79/935027879.db2.gz VLYGIEVYHMGPDU-OAHLLOKOSA-N 1 1 290.407 3.139 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)/C(C)=C/C)CC1 ZINC001327112672 935031141 /nfs/dbraw/zinc/03/11/41/935031141.db2.gz JWKWNVPFISQNNN-ILYXUJSMSA-N 1 1 278.440 3.278 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CCCC)C(C)C)CC1 ZINC001327172571 935040135 /nfs/dbraw/zinc/04/01/35/935040135.db2.gz LAPZAFDVBPHRNY-IRXDYDNUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001327229029 935046622 /nfs/dbraw/zinc/04/66/22/935046622.db2.gz DJGRBQJTRUPZTM-HZPDHXFCSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@H](C)c1ccsc1 ZINC001327257787 935047928 /nfs/dbraw/zinc/04/79/28/935047928.db2.gz JULRVNWCUDTZEC-CQSZACIVSA-N 1 1 294.464 3.208 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC1(C)C ZINC001328751697 935166118 /nfs/dbraw/zinc/16/61/18/935166118.db2.gz ACWXLZRXCSBRTK-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)CC1CC(C)(C)C1 ZINC001328753084 935166422 /nfs/dbraw/zinc/16/64/22/935166422.db2.gz ORZVAIPNVWLAIU-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)[C@H](C)c1ccccc1C ZINC001329623139 935234409 /nfs/dbraw/zinc/23/44/09/935234409.db2.gz IHJBABVXDUISPN-HZPDHXFCSA-N 1 1 288.435 3.111 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](C)CCC ZINC001329908076 935253638 /nfs/dbraw/zinc/25/36/38/935253638.db2.gz JPYGEXNJCQUWDM-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1CCCCC[N@@H+]1CC(=C)Cl ZINC001329938776 935255920 /nfs/dbraw/zinc/25/59/20/935255920.db2.gz QELOQUZZGHOGSJ-AWEZNQCLSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1CCCCC[N@H+]1CC(=C)Cl ZINC001329938776 935255925 /nfs/dbraw/zinc/25/59/25/935255925.db2.gz QELOQUZZGHOGSJ-AWEZNQCLSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)C(CC)CC)CC1 ZINC001331000134 935341475 /nfs/dbraw/zinc/34/14/75/935341475.db2.gz LRCSBWIDNVTNSI-UHFFFAOYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@@H]2CC)CC1 ZINC001331038934 935344674 /nfs/dbraw/zinc/34/46/74/935344674.db2.gz NCBHHBRWIWYZAZ-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CC[C@H](CCOC)Nc1[nH+]ccc2c(C)cccc21 ZINC001331553620 935393081 /nfs/dbraw/zinc/39/30/81/935393081.db2.gz HMISVBREGBNXSL-CQSZACIVSA-N 1 1 268.360 3.384 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2nc(-c3ccccc3)c[nH]2)C1 ZINC001331804807 935411372 /nfs/dbraw/zinc/41/13/72/935411372.db2.gz YUIWVBZBSXIPEZ-AWEZNQCLSA-N 1 1 267.376 3.475 20 30 CGEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)CCCCCC)CCC[C@H]12 ZINC001332115992 935440986 /nfs/dbraw/zinc/44/09/86/935440986.db2.gz GCNRCZBVMMHGPP-FUHWJXTLSA-N 1 1 290.451 3.093 20 30 CGEDMO COc1ccc(C[C@H](C)[N@@H+](C)Cc2ccncc2C#N)cc1 ZINC001332121325 935442153 /nfs/dbraw/zinc/44/21/53/935442153.db2.gz WWROVNSAOMDSBF-AWEZNQCLSA-N 1 1 295.386 3.025 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1CCC[N@H+](CC/C=C/CC)[C@H]1C ZINC001332177790 935446065 /nfs/dbraw/zinc/44/60/65/935446065.db2.gz PXRJBFYIXJVWBY-AAAWEMBMSA-N 1 1 290.451 3.115 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C2(CF)CCC2)[C@H]1C ZINC001332204621 935448766 /nfs/dbraw/zinc/44/87/66/935448766.db2.gz HYWXIXJALOJMGA-HUUCEWRRSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C(=O)[C@@H]1CC[C@H](F)C1)C(C)C ZINC001332723641 935485359 /nfs/dbraw/zinc/48/53/59/935485359.db2.gz OTZLHAPZHAMXCA-CVEARBPZSA-N 1 1 298.446 3.260 20 30 CGEDMO CC[N@H+]1CCC[C@H](CNc2ccc(C#N)cc2C)C1 ZINC001333645942 935555974 /nfs/dbraw/zinc/55/59/74/935555974.db2.gz MLCZMOFCPPYQFB-OAHLLOKOSA-N 1 1 257.381 3.011 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc([S@@](C)=O)cc2)C1 ZINC001333986432 936079098 /nfs/dbraw/zinc/07/90/98/936079098.db2.gz FEKRALPPTXJFOT-AUUYWEPGSA-N 1 1 277.433 3.212 20 30 CGEDMO C[C@@H]1CC[C@@](CO)([N@@H+](C)CCCCC2(C#N)CCC2)C1 ZINC001334110350 936085577 /nfs/dbraw/zinc/08/55/77/936085577.db2.gz HDFXIPRURQADGK-NVXWUHKLSA-N 1 1 278.440 3.333 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1cncc(-c2cc(F)ccc2OC)c1 ZINC001334206909 936090684 /nfs/dbraw/zinc/09/06/84/936090684.db2.gz LOKGKFPJPDQXSS-CYBMUJFWSA-N 1 1 298.361 3.350 20 30 CGEDMO C[N@@H+]1Cc2ccccc2[C@@H]1CNc1cc(C#N)cc(Cl)n1 ZINC001336691799 936206550 /nfs/dbraw/zinc/20/65/50/936206550.db2.gz FVFDVXSQCXJUDU-AWEZNQCLSA-N 1 1 298.777 3.205 20 30 CGEDMO C[N@H+]1Cc2ccccc2[C@@H]1CNc1cc(C#N)cc(Cl)n1 ZINC001336691799 936206555 /nfs/dbraw/zinc/20/65/55/936206555.db2.gz FVFDVXSQCXJUDU-AWEZNQCLSA-N 1 1 298.777 3.205 20 30 CGEDMO CC(C)[N@@H+](C)Cc1cccc(CNC[C@H](C#N)CCC#N)c1 ZINC001336762882 936215601 /nfs/dbraw/zinc/21/56/01/936215601.db2.gz LRWWOFWHDMHGIH-SFHVURJKSA-N 1 1 298.434 3.060 20 30 CGEDMO CS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC001337042825 936233659 /nfs/dbraw/zinc/23/36/59/936233659.db2.gz SUPKMJDNTKBKTM-GHMZBOCLSA-N 1 1 266.435 3.336 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2cccc3cnccc32)C1 ZINC001337727740 936283990 /nfs/dbraw/zinc/28/39/90/936283990.db2.gz GKQKPLQWLIJOAN-INIZCTEOSA-N 1 1 268.360 3.012 20 30 CGEDMO C#CC[N@H+](C[C@H](CC)OC)[C@H]1CCCc2ccccc21 ZINC001473825713 937823546 /nfs/dbraw/zinc/82/35/46/937823546.db2.gz CUQFNATYZCSVQT-WMZOPIPTSA-N 1 1 271.404 3.424 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(OC)cc1 ZINC001473857454 937824913 /nfs/dbraw/zinc/82/49/13/937824913.db2.gz SKGODOBAPFWYLI-OAHLLOKOSA-N 1 1 288.391 3.064 20 30 CGEDMO C=CCC[C@@H]([NH2+][C@H]1C[C@H](C)C[C@H](C)C1)C(=O)OCC ZINC001474528610 937864935 /nfs/dbraw/zinc/86/49/35/937864935.db2.gz RPSYOASFOIPIBO-CBBWQLFWSA-N 1 1 267.413 3.299 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCCC3)C1 ZINC001474646989 937872738 /nfs/dbraw/zinc/87/27/38/937872738.db2.gz JRBGYILKDJRBHX-HNNXBMFYSA-N 1 1 253.389 3.411 20 30 CGEDMO C=CCC[C@@H](CCC)[NH2+][C@@H](CC(C)C)C(=O)OC ZINC001474685981 937875158 /nfs/dbraw/zinc/87/51/58/937875158.db2.gz ILRWVVQNGVFKDE-KGLIPLIRSA-N 1 1 255.402 3.299 20 30 CGEDMO C=CCCC[N@@H+](C)CCCNC(=O)c1ccc(C)cc1C ZINC001479811503 937926547 /nfs/dbraw/zinc/92/65/47/937926547.db2.gz RVAWTWFTMFBQKN-UHFFFAOYSA-N 1 1 288.435 3.321 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)CC(C)(C)C2CC2)C1 ZINC001479903371 937928346 /nfs/dbraw/zinc/92/83/46/937928346.db2.gz QWLSCCURAJJKIB-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001479907719 937928805 /nfs/dbraw/zinc/92/88/05/937928805.db2.gz BFSOZCCDEPEFLT-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@H+](C(C)C)C2)CCCCC1 ZINC001479971733 937930337 /nfs/dbraw/zinc/93/03/37/937930337.db2.gz HXUQFBCIONWEPI-HNNXBMFYSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)C=C2CCC2)C1 ZINC001480074055 937931800 /nfs/dbraw/zinc/93/18/00/937931800.db2.gz BAMNCMPQQBTGFG-QGZVFWFLSA-N 1 1 290.451 3.233 20 30 CGEDMO C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)CCCCC(C)C)C1 ZINC001480086746 937932230 /nfs/dbraw/zinc/93/22/30/937932230.db2.gz XBXFVTYWGHZNJH-KRWDZBQOSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)C2CC=CC2)C1 ZINC001480249565 937934820 /nfs/dbraw/zinc/93/48/20/937934820.db2.gz WVFJEWKWWPHCAO-CVEARBPZSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C(F)=C2CCCC2)C1 ZINC001480378313 937937476 /nfs/dbraw/zinc/93/74/76/937937476.db2.gz PWFGKQHOCQXAJL-ZFWWWQNUSA-N 1 1 294.414 3.187 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]([N@@H+](C)CCC2CCCC2)C1 ZINC001480723611 937942674 /nfs/dbraw/zinc/94/26/74/937942674.db2.gz WREWTIAOAWTWRF-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)C=C(CC)CC)C1 ZINC001480722255 937942683 /nfs/dbraw/zinc/94/26/83/937942683.db2.gz LZLITMFDKSIIRV-INIZCTEOSA-N 1 1 278.440 3.232 20 30 CGEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001480740125 937942991 /nfs/dbraw/zinc/94/29/91/937942991.db2.gz VSPONZRPDWPDTL-HOTGVXAUSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)C1(C)CCC(C)CC1 ZINC001493160473 937947834 /nfs/dbraw/zinc/94/78/34/937947834.db2.gz IOWXVHYNKTZJNA-UPTPFMHGSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)C1CCC(=C)CC1 ZINC001493132530 937948078 /nfs/dbraw/zinc/94/80/78/937948078.db2.gz NILNRCVUDHWSLL-QGZVFWFLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](CNC(=O)CC2CC(C)(C)C2)C1 ZINC001493229627 937948453 /nfs/dbraw/zinc/94/84/53/937948453.db2.gz WMVYCWJSHQYPCU-HNNXBMFYSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)CC(C)(C)C)C1 ZINC001493264311 937949101 /nfs/dbraw/zinc/94/91/01/937949101.db2.gz PCZALPUDGKKMRC-CQSZACIVSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)[C@@]1(C)CCC[C@@H]1C ZINC001493313763 937949590 /nfs/dbraw/zinc/94/95/90/937949590.db2.gz HIDCQBSVTILRJC-RDJZCZTQSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[C@H](C[N@H+](C)CCCC)C1 ZINC001494154236 937953581 /nfs/dbraw/zinc/95/35/81/937953581.db2.gz MTQHIEADCRQDRX-HZPDHXFCSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)CC[N@H+](C)CC1CCN(C(=O)C2CC(C)C2)CC1 ZINC001494190490 937953628 /nfs/dbraw/zinc/95/36/28/937953628.db2.gz GBCLPWJNBNHMRX-UHFFFAOYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)[C@@H](F)CC2CCCCC2)C1 ZINC001494483759 937955004 /nfs/dbraw/zinc/95/50/04/937955004.db2.gz CMPFNFGDQXNSOF-INIZCTEOSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)CCCCCC ZINC001494677782 937955654 /nfs/dbraw/zinc/95/56/54/937955654.db2.gz CNUUYIHMVOSQAT-JYJNAYRXSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)CCCCCC ZINC001494677782 937955655 /nfs/dbraw/zinc/95/56/55/937955655.db2.gz CNUUYIHMVOSQAT-JYJNAYRXSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@H+](C[C@H](C)CC(C)C)C1 ZINC001494704503 937955688 /nfs/dbraw/zinc/95/56/88/937955688.db2.gz CZYGUECOMIUNOC-CVEARBPZSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)CCCCCC ZINC001494677784 937955817 /nfs/dbraw/zinc/95/58/17/937955817.db2.gz CNUUYIHMVOSQAT-PMPSAXMXSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)CCCCCC ZINC001494677784 937955818 /nfs/dbraw/zinc/95/58/18/937955818.db2.gz CNUUYIHMVOSQAT-PMPSAXMXSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)/C=C(\C)CC)C1 ZINC001494755086 937955884 /nfs/dbraw/zinc/95/58/84/937955884.db2.gz GJQHLXLZZVCIJB-QJPKHSJYSA-N 1 1 278.440 3.280 20 30 CGEDMO C#CCCCCC(=O)N(C)[C@@H]1CC[N@H+](CC(CC)CC)C1 ZINC001494822412 937956699 /nfs/dbraw/zinc/95/66/99/937956699.db2.gz PQGDDHPDYDQUCS-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)CCC(=O)N(C)[C@H]1CC[N@H+](CC/C=C/CC)C1 ZINC001494826211 937956721 /nfs/dbraw/zinc/95/67/21/937956721.db2.gz WLLONPDKPDPWJZ-MOEXGYKKSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)C2CCC=CCC2)C1 ZINC001494866894 937956921 /nfs/dbraw/zinc/95/69/21/937956921.db2.gz BBABHNNZKLJNGK-QGZVFWFLSA-N 1 1 290.451 3.232 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H](CCCC)C(C)C)C1 ZINC001494925107 937957201 /nfs/dbraw/zinc/95/72/01/937957201.db2.gz OUVFRXIAAXIDQZ-IRXDYDNUSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)C3(CCC)CC3)CC[C@@H]21 ZINC001496865710 937964496 /nfs/dbraw/zinc/96/44/96/937964496.db2.gz YNARAWXNXBOKEE-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO CCCCCCC[N@@H+](C)C[C@H](C)NC(=O)C#CC(C)C ZINC001498277624 937968979 /nfs/dbraw/zinc/96/89/79/937968979.db2.gz WHJKICTUOZZZOW-INIZCTEOSA-N 1 1 280.456 3.053 20 30 CGEDMO C=CC[N@H+](C)C[C@H](C)NC(=O)c1cccc(C2CCC2)c1 ZINC001498425605 937969554 /nfs/dbraw/zinc/96/95/54/937969554.db2.gz PJOOJNYOGXODAQ-AWEZNQCLSA-N 1 1 286.419 3.190 20 30 CGEDMO C#CCC1(C(=O)N[C@H](C)C[N@H+](C)CC(C)C)CCCCC1 ZINC001498466472 937969722 /nfs/dbraw/zinc/96/97/22/937969722.db2.gz WEDMOXJXFQDDGN-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)C1(CC)CCCCC1 ZINC001498455146 937969909 /nfs/dbraw/zinc/96/99/09/937969909.db2.gz FFMISRIFADGERM-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H](F)CC1CCCCC1 ZINC001499099483 937972635 /nfs/dbraw/zinc/97/26/35/937972635.db2.gz DSOGURMYLHVPPY-JKSUJKDBSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)CCCC)C2)C1 ZINC001499563507 937974023 /nfs/dbraw/zinc/97/40/23/937974023.db2.gz JDFAWLHXJQHXJZ-SFHVURJKSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)CSC(C)C)C1 ZINC001500182711 937976188 /nfs/dbraw/zinc/97/61/88/937976188.db2.gz LUZBSOANWUTFDW-ZBFHGGJFSA-N 1 1 298.496 3.063 20 30 CGEDMO C=CC1(CC(=O)N[C@@]2(C)CC[N@H+](CC)C2)CCCCC1 ZINC001500269438 937976635 /nfs/dbraw/zinc/97/66/35/937976635.db2.gz RIRWUQGAKJTTIF-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@](C)(CNC(=O)C2CCC2)C1 ZINC001500469165 937977628 /nfs/dbraw/zinc/97/76/28/937977628.db2.gz NETHHDWAWROZBD-MAUKXSAKSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)C(C)C)C[C@H]2C1 ZINC001501232600 937979271 /nfs/dbraw/zinc/97/92/71/937979271.db2.gz KIYQKJSXXPPSBX-VQHPVUNQSA-N 1 1 292.467 3.023 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2ccco2)CC1 ZINC001502105220 937981095 /nfs/dbraw/zinc/98/10/95/937981095.db2.gz QOLKTIMLGUESCF-HUUCEWRRSA-N 1 1 290.407 3.219 20 30 CGEDMO C#CC[N@H+](C)CCCN(C)C(=O)C(C)(C)C1CCCCC1 ZINC001502380429 937982136 /nfs/dbraw/zinc/98/21/36/937982136.db2.gz MVTYAZLBSRRCTD-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCCC)C1 ZINC001502404378 937982502 /nfs/dbraw/zinc/98/25/02/937982502.db2.gz GEEBRVMOOQAOAL-DLBZAZTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@H+](C)CCCN(C)C(=O)[C@@]1(C)CC=C(C)CC1 ZINC001502398483 937982508 /nfs/dbraw/zinc/98/25/08/937982508.db2.gz BJQMMJDMFVMZAQ-KRWDZBQOSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCCC(=O)N1CCC[C@]2(CC[N@H+](CCC(C)C)C2)C1 ZINC001502541760 937982557 /nfs/dbraw/zinc/98/25/57/937982557.db2.gz RVVKRFVGFPZGSW-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)C[C@@H](C)C3CC3)cc2C1 ZINC001502653688 937982921 /nfs/dbraw/zinc/98/29/21/937982921.db2.gz OWJUWMHVGIWKRZ-CQSZACIVSA-N 1 1 298.430 3.241 20 30 CGEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)C[C@@H](C)C3CC3)cc2C1 ZINC001502653688 937982922 /nfs/dbraw/zinc/98/29/22/937982922.db2.gz OWJUWMHVGIWKRZ-CQSZACIVSA-N 1 1 298.430 3.241 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)C(CCC)CCC)C[C@@H]1C ZINC001502969959 937983863 /nfs/dbraw/zinc/98/38/63/937983863.db2.gz QFXFQCVGWAUESR-RDJZCZTQSA-N 1 1 292.467 3.195 20 30 CGEDMO Cc1ccc(N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nc1C#N ZINC001548515400 937984800 /nfs/dbraw/zinc/98/48/00/937984800.db2.gz XJWRORNSIIXNLP-HUUCEWRRSA-N 1 1 298.434 3.327 20 30 CGEDMO C=CC[N@H+](CC)CC1CCN(C(=O)CCC(C)C)CC1 ZINC001505394384 937985026 /nfs/dbraw/zinc/98/50/26/937985026.db2.gz AIINMUXZVKVWCM-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](C)C(C)(C)C ZINC001505435877 937985405 /nfs/dbraw/zinc/98/54/05/937985405.db2.gz QCJIHOXFNOPONV-LSDHHAIUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C/C(C)=C/CC(=O)N1CCC[C@H]1C[N@H+](C)CC(=C)C ZINC001505441425 937985561 /nfs/dbraw/zinc/98/55/61/937985561.db2.gz CYMUCGWISMNQSH-LRQZKABGSA-N 1 1 276.424 3.008 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)C[C@@H]1CC=CCC1 ZINC001505441361 937985633 /nfs/dbraw/zinc/98/56/33/937985633.db2.gz BZSQPODIXJOBDX-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C1CCC=CCC1 ZINC001505460840 937985757 /nfs/dbraw/zinc/98/57/57/937985757.db2.gz BIBNKMURQALMGJ-KRWDZBQOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)C1(C)CCCCCC1 ZINC001505937878 937988157 /nfs/dbraw/zinc/98/81/57/937988157.db2.gz NPCPIMQTFVGRNS-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CCC[N@H+](C)[C@H](C)CNC(=O)C1(CC(C)C)CCCC1 ZINC001506021170 937988647 /nfs/dbraw/zinc/98/86/47/937988647.db2.gz CGCRUSPPRWFHJK-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)C1CCCC1 ZINC001506036322 937988850 /nfs/dbraw/zinc/98/88/50/937988850.db2.gz JLPZZCPKHAFVIS-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCCCCC ZINC001506581534 937991085 /nfs/dbraw/zinc/99/10/85/937991085.db2.gz KKHTVSXXTSKLJT-QGZVFWFLSA-N 1 1 292.467 3.341 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1C[N@@H+](CC2CCC2)CC1(C)C ZINC001506740938 937991585 /nfs/dbraw/zinc/99/15/85/937991585.db2.gz YNSGRRQKJDURKJ-HNNXBMFYSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)C[C@@H](C)C3CC3)CCC[C@H]12 ZINC001507354316 937995402 /nfs/dbraw/zinc/99/54/02/937995402.db2.gz GELRTZDSQJJFHB-UWWQBHOKSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2ccoc2C)[C@@H]1C ZINC001507368580 937995673 /nfs/dbraw/zinc/99/56/73/937995673.db2.gz MTRSQNVCSVFGIA-BBRMVZONSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CCC[N@@H+](CCC2CC2)[C@H]1C ZINC001507377089 937995719 /nfs/dbraw/zinc/99/57/19/937995719.db2.gz SFSKQNVWTWUHCO-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C(=O)[C@H](C)CC)C(C)C ZINC001507759455 937996678 /nfs/dbraw/zinc/99/66/78/937996678.db2.gz GWHXAKSXAXZCCI-OAHLLOKOSA-N 1 1 268.445 3.168 20 30 CGEDMO CC#CC[N@@H+](C)CCN(C(=O)CC1CC(C)(C)C1)C(C)C ZINC001507829402 937997153 /nfs/dbraw/zinc/99/71/53/937997153.db2.gz ZPILZSKNHWNOOV-UHFFFAOYSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC(C)(C)C(=O)NCC1=CC[N@H+](C/C=C\Cl)CC1 ZINC001508223208 937998801 /nfs/dbraw/zinc/99/88/01/937998801.db2.gz RAXMIGVAFKBKSS-UITAMQMPSA-N 1 1 296.842 3.090 20 30 CGEDMO C=CCC(C)(C)C(=O)NCC1=CC[N@@H+](C/C=C\Cl)CC1 ZINC001508223208 937998802 /nfs/dbraw/zinc/99/88/02/937998802.db2.gz RAXMIGVAFKBKSS-UITAMQMPSA-N 1 1 296.842 3.090 20 30 CGEDMO C#CCCCCCC(=O)N1CC[N@@H+](C2CCCC2)[C@H](C)C1 ZINC001529008021 938070270 /nfs/dbraw/zinc/07/02/70/938070270.db2.gz ZWNXMRKHMQVTRX-MRXNPFEDSA-N 1 1 290.451 3.045 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[N@H+](C)CC12CCCCC2 ZINC001539204598 938123528 /nfs/dbraw/zinc/12/35/28/938123528.db2.gz JWFDGQUOSKGLES-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO CCCCCCCCC(=O)N[C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001540074069 938127785 /nfs/dbraw/zinc/12/77/85/938127785.db2.gz OAMCKFUMLKPEBF-ARFHVFGLSA-N 1 1 280.456 3.193 20 30 CGEDMO C=C[C@H](C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC001548644019 938151767 /nfs/dbraw/zinc/15/17/67/938151767.db2.gz XIQMREHKMIJTAS-WMZOPIPTSA-N 1 1 298.430 3.089 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)c1c(C)[nH]c2ccccc21 ZINC001556466436 938203971 /nfs/dbraw/zinc/20/39/71/938203971.db2.gz YICQJFWQMOTJOB-UHFFFAOYSA-N 1 1 299.418 3.056 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001557866128 938212167 /nfs/dbraw/zinc/21/21/67/938212167.db2.gz ZDPCVAHQTOWBON-UHFFFAOYSA-N 1 1 288.435 3.227 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001557866128 938212168 /nfs/dbraw/zinc/21/21/68/938212168.db2.gz ZDPCVAHQTOWBON-UHFFFAOYSA-N 1 1 288.435 3.227 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CCCN(c2ccccc2)CC1 ZINC001559492369 938227671 /nfs/dbraw/zinc/22/76/71/938227671.db2.gz NOYFDXSCDZVMJP-MRXNPFEDSA-N 1 1 256.393 3.001 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001559821138 938236647 /nfs/dbraw/zinc/23/66/47/938236647.db2.gz SWEJFXVWXFODKU-LSDHHAIUSA-N 1 1 297.320 3.232 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC001559865204 938237655 /nfs/dbraw/zinc/23/76/55/938237655.db2.gz ILUTXIPPMPOPLI-ZYHUDNBSSA-N 1 1 265.319 3.383 20 30 CGEDMO C[C@@H]1c2sccc2CC[N@@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001560112966 938244227 /nfs/dbraw/zinc/24/42/27/938244227.db2.gz TYASGQPHQUEBFX-WBMJQRKESA-N 1 1 298.411 3.272 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@H](C)[C@H]1c1ccccc1 ZINC001560133264 938245021 /nfs/dbraw/zinc/24/50/21/938245021.db2.gz SGCGGYYQJZJTPZ-XIRDDKMYSA-N 1 1 259.393 3.397 20 30 CGEDMO CCC#C[C@H](C)[N@H+](C)Cc1cc(-c2ccccc2)n[nH]1 ZINC001560211234 938247186 /nfs/dbraw/zinc/24/71/86/938247186.db2.gz ZMQVWRIQLHXMRH-AWEZNQCLSA-N 1 1 267.376 3.310 20 30 CGEDMO CCC#C[C@H](C)[N@@H+](C)Cc1cc(-c2ccccc2)n[nH]1 ZINC001560211234 938247187 /nfs/dbraw/zinc/24/71/87/938247187.db2.gz ZMQVWRIQLHXMRH-AWEZNQCLSA-N 1 1 267.376 3.310 20 30 CGEDMO C#CC[N@H+](C[C@H](OC)[C@@H](C)CC)C1CCCCC1 ZINC001560657524 938268625 /nfs/dbraw/zinc/26/86/25/938268625.db2.gz PXKMBIFUZADCIG-HOCLYGCPSA-N 1 1 251.414 3.315 20 30 CGEDMO C#CCCCCCC[NH2+][C@H](CC)C(=O)OC(C)(C)C ZINC001560904435 938282795 /nfs/dbraw/zinc/28/27/95/938282795.db2.gz XUEMYKJSRKSKKC-CQSZACIVSA-N 1 1 267.413 3.280 20 30 CGEDMO COc1cc(C)c(C[N@@H+]2Cc3ccc(C#N)cc3C2)c(O)c1 ZINC001560905889 938283258 /nfs/dbraw/zinc/28/32/58/938283258.db2.gz SQQSFYBEBAQXRM-UHFFFAOYSA-N 1 1 294.354 3.097 20 30 CGEDMO COc1cc(C)c(C[N@H+]2Cc3ccc(C#N)cc3C2)c(O)c1 ZINC001560905889 938283259 /nfs/dbraw/zinc/28/32/59/938283259.db2.gz SQQSFYBEBAQXRM-UHFFFAOYSA-N 1 1 294.354 3.097 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C(C)C ZINC001490798923 957900987 /nfs/dbraw/zinc/90/09/87/957900987.db2.gz NWJFSAMPMYPUPQ-LUKYLMHMSA-N 1 1 292.467 3.308 20 30 CGEDMO Cc1c[nH+]c(N2CCc3cc(C#N)ccc3C2)c(C)c1 ZINC001164481651 958842802 /nfs/dbraw/zinc/84/28/02/958842802.db2.gz GWPSIOVFLUHTIO-UHFFFAOYSA-N 1 1 263.344 3.133 20 30 CGEDMO N#Cc1cc(C[NH+]2CC(c3cccnc3)C2)ccc1Cl ZINC001238191235 960411392 /nfs/dbraw/zinc/41/13/92/960411392.db2.gz KLKHMZPLSCLWRR-UHFFFAOYSA-N 1 1 283.762 3.206 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)CCC2CC2)CC(C)(C)C1 ZINC001566127896 960558023 /nfs/dbraw/zinc/55/80/23/960558023.db2.gz JDOUIRWAAQOYSQ-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[N@H+](CCC)CCNC(=O)[C@H]1CC[C@@H](C)C1 ZINC001567434555 960595699 /nfs/dbraw/zinc/59/56/99/960595699.db2.gz FUPTVVZIMLRWGP-OCCSQVGLSA-N 1 1 286.847 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+](CCC)CCNC(=O)[C@H]1CC[C@@H](C)C1 ZINC001567434555 960595712 /nfs/dbraw/zinc/59/57/12/960595712.db2.gz FUPTVVZIMLRWGP-OCCSQVGLSA-N 1 1 286.847 3.003 20 30 CGEDMO C=CC(C)(C)C(=O)N(C)C[C@H]1CC[N@@H+]1CC/C=C\CC ZINC001565822564 960823535 /nfs/dbraw/zinc/82/35/35/960823535.db2.gz IMDPDWQNRNMKPG-WHLNPGIBSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C(C)C)CC(C)(C)C1 ZINC001566131141 960890167 /nfs/dbraw/zinc/89/01/67/960890167.db2.gz HXEVXMGKLGTKRD-CVEARBPZSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C(C)C)CC(C)(C)C1 ZINC001566127635 960892337 /nfs/dbraw/zinc/89/23/37/960892337.db2.gz DJGRNWHXVXQAAK-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CCCCCC(=O)N[C@@H]1CC[N@H+](CCC)CC(C)(C)C1 ZINC001566129065 960896621 /nfs/dbraw/zinc/89/66/21/960896621.db2.gz AONQCQZIKVLVRZ-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO CC#CCCCC(=O)N[C@@H]1CC[N@H+](CCC)CC(C)(C)C1 ZINC001566131329 960896947 /nfs/dbraw/zinc/89/69/47/960896947.db2.gz KIJCVHLADMBLEY-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC(C)(C)C(=O)NCCC[N@H+](C)CCC(C)(C)C ZINC001566481745 960945760 /nfs/dbraw/zinc/94/57/60/960945760.db2.gz OGHXDNQRSOCXHV-UHFFFAOYSA-N 1 1 268.445 3.073 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)[C@H]1CCCC1(C)C ZINC001566561657 960947810 /nfs/dbraw/zinc/94/78/10/960947810.db2.gz LEZBIRYPOSBVIK-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)C(C)C)C1 ZINC001566675132 960982265 /nfs/dbraw/zinc/98/22/65/960982265.db2.gz NVTNAGNVCDXJHF-HOTGVXAUSA-N 1 1 282.472 3.439 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[N@H+](C[C@@H](C)CC)C2)CCCC1 ZINC001566684454 960982638 /nfs/dbraw/zinc/98/26/38/960982638.db2.gz OLTUXRXDAAILRA-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)/C=C(\C)CC)C1 ZINC001566740124 960997764 /nfs/dbraw/zinc/99/77/64/960997764.db2.gz QMBSKHWTDDFYMG-KMPOOHAWSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001566742612 961004555 /nfs/dbraw/zinc/00/45/55/961004555.db2.gz ZKGIESGDDFHVJM-CVEARBPZSA-N 1 1 292.467 3.169 20 30 CGEDMO CC(C)CC[N@H+]1CCCC[C@H]1CNC(=O)C#CC(C)(C)C ZINC001566920949 961059485 /nfs/dbraw/zinc/05/94/85/961059485.db2.gz CXJRMUGVOIXRJA-INIZCTEOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCCC(=O)N[C@H](C)[C@H]1CCC[N@@H+](CCC=C)C1 ZINC001566966218 961075053 /nfs/dbraw/zinc/07/50/53/961075053.db2.gz SEEGSAHRSVWKTM-CVEARBPZSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)C2CCC2)C1 ZINC001567185519 961127894 /nfs/dbraw/zinc/12/78/94/961127894.db2.gz YLBXSXHANGNYIZ-HOCLYGCPSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)CCC)C1 ZINC001567198138 961140044 /nfs/dbraw/zinc/14/00/44/961140044.db2.gz BEBJJTDTWLAHBY-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC1(C(=O)NCCC[C@@H]2CCC[N@@H+]2CCF)CCC1 ZINC001567261946 961156464 /nfs/dbraw/zinc/15/64/64/961156464.db2.gz RBGPQFQAHSFUDX-OAHLLOKOSA-N 1 1 296.430 3.063 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)C1(C)CCCCCC1 ZINC001567286237 961256254 /nfs/dbraw/zinc/25/62/54/961256254.db2.gz BGMHZAKEUJBBNR-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C=CCCC[N@H+](CC)CCNC(=O)c1cccc(C)c1F ZINC001567333284 961287910 /nfs/dbraw/zinc/28/79/10/961287910.db2.gz PPDWTFLMLBBXFW-UHFFFAOYSA-N 1 1 292.398 3.152 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)c1sccc1C ZINC001567356612 961294816 /nfs/dbraw/zinc/29/48/16/961294816.db2.gz AWOIMIVXRDOISC-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)c1ccc(Cl)c(C)c1 ZINC001567343820 961297349 /nfs/dbraw/zinc/29/73/49/961297349.db2.gz JLSYOZXPRKFKOL-UHFFFAOYSA-N 1 1 294.826 3.276 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)C1(CC)CCCC1 ZINC001567381893 961303202 /nfs/dbraw/zinc/30/32/02/961303202.db2.gz BWVRYHLLRFGUGY-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCC[N@H+]1C/C=C\c1ccccc1 ZINC001567367119 961306743 /nfs/dbraw/zinc/30/67/43/961306743.db2.gz VLKKQTMAKKDZDY-VTSXBNNFSA-N 1 1 298.430 3.247 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCC1 ZINC001567367534 961315154 /nfs/dbraw/zinc/31/51/54/961315154.db2.gz CMUZJNJVBXMMLX-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@H+](CCCNC(=O)c1ccco1)C(C)C ZINC001567636216 961376324 /nfs/dbraw/zinc/37/63/24/961376324.db2.gz XKPBTJUOMGRKKA-UHFFFAOYSA-N 1 1 278.396 3.076 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)[C@]12C[C@H]1CCCC2)C(C)C ZINC001567649605 961382872 /nfs/dbraw/zinc/38/28/72/961382872.db2.gz YECHWMGRMPTQET-SJLPKXTDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)CCCC#CC)C1 ZINC001567686507 961394253 /nfs/dbraw/zinc/39/42/53/961394253.db2.gz NIOBCFLAIYHBNB-QGZVFWFLSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](CCNC(=O)c2cccc(C)c2)C1 ZINC001567691108 961404839 /nfs/dbraw/zinc/40/48/39/961404839.db2.gz KASSYSBIZQGLGC-INIZCTEOSA-N 1 1 286.419 3.013 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)/C=C/C(C)(C)C)C1 ZINC001567695429 961405488 /nfs/dbraw/zinc/40/54/88/961405488.db2.gz BJXHRVNZPOWLOO-GPAKFWEMSA-N 1 1 298.858 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)[C@H](C)CCC)C1 ZINC001567696496 961406880 /nfs/dbraw/zinc/40/68/80/961406880.db2.gz OEAXKCVICISQAY-CVEARBPZSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](CCNC(=O)C2CCC=CCC2)C1 ZINC001567713831 961409109 /nfs/dbraw/zinc/40/91/09/961409109.db2.gz BBBCIUGUENIFSX-INIZCTEOSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)C(C)C)C1 ZINC001567702138 961410691 /nfs/dbraw/zinc/41/06/91/961410691.db2.gz XZLIEOXXFNMQPH-INIZCTEOSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)C(C)C)C1 ZINC001567729748 961412306 /nfs/dbraw/zinc/41/23/06/961412306.db2.gz MZKBCTPUQAVFNI-OAHLLOKOSA-N 1 1 280.456 3.025 20 30 CGEDMO C=C(C)CCC(=O)N(C)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001567914663 961468102 /nfs/dbraw/zinc/46/81/02/961468102.db2.gz FNOKHSOBLHLTQA-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CCC[N@H+](C)CCC1CCN(C(=O)C[C@@H](C)CC)CC1 ZINC001568436222 961574416 /nfs/dbraw/zinc/57/44/16/961574416.db2.gz GEQOEAADLAGQHE-INIZCTEOSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(C)C[N@@H+](C)CCC1CCN(C(=O)C=C(C)C)CC1 ZINC001568435735 961577848 /nfs/dbraw/zinc/57/78/48/961577848.db2.gz OPXLLPWWAYZBBS-UHFFFAOYSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)c1csc(C)c1C ZINC001568484686 961600311 /nfs/dbraw/zinc/60/03/11/961600311.db2.gz WXRFEWLNHYKDSO-UHFFFAOYSA-N 1 1 294.464 3.335 20 30 CGEDMO C=CCCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCCCC)C1 ZINC001568511188 961604153 /nfs/dbraw/zinc/60/41/53/961604153.db2.gz RKYQFAFHSBOVBL-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)c1ccccc1 ZINC001569103109 961692707 /nfs/dbraw/zinc/69/27/07/961692707.db2.gz IBURQOPWCZEWDF-CABCVRRESA-N 1 1 274.408 3.091 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)C(CC)CC ZINC001569124952 961704279 /nfs/dbraw/zinc/70/42/79/961704279.db2.gz PFICDIUMJDRUGX-KBPBESRZSA-N 1 1 268.445 3.071 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccsc1 ZINC001569371757 961749761 /nfs/dbraw/zinc/74/97/61/961749761.db2.gz ZBUBMIPJONPWMC-HIFRSBDPSA-N 1 1 292.448 3.041 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@@H]1CC[N@H+]1Cc1ccsc1 ZINC001569371757 961749772 /nfs/dbraw/zinc/74/97/72/961749772.db2.gz ZBUBMIPJONPWMC-HIFRSBDPSA-N 1 1 292.448 3.041 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@]1(C)CC=C(C)CC1 ZINC001569383808 961755258 /nfs/dbraw/zinc/75/52/58/961755258.db2.gz XZVVTTCWFXKLNA-SJLPKXTDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)c1ccc(C)cc1 ZINC001569381177 961757159 /nfs/dbraw/zinc/75/71/59/961757159.db2.gz JZCWKJMKJFHUFQ-RDJZCZTQSA-N 1 1 286.419 3.154 20 30 CGEDMO C=CCCC(=O)N1CCC([C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001569435102 961766835 /nfs/dbraw/zinc/76/68/35/961766835.db2.gz ZIUIFBZQRWJBCC-KRWDZBQOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC(=O)N1CCC([C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001569435103 961768559 /nfs/dbraw/zinc/76/85/59/961768559.db2.gz ZIUIFBZQRWJBCC-QGZVFWFLSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[C@]2(C1)CCC[N@H+](C(C)C)C2 ZINC001569467563 961778535 /nfs/dbraw/zinc/77/85/35/961778535.db2.gz PJPAOGWPCFBVBH-SJLPKXTDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC23CC3)C1 ZINC001569647370 961812382 /nfs/dbraw/zinc/81/23/82/961812382.db2.gz DWEWSUALQWTWKL-WBVHZDCISA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)C2(CCCC)CC2)C1 ZINC001569719585 961834085 /nfs/dbraw/zinc/83/40/85/961834085.db2.gz MPNNKXKIINOAMP-KRWDZBQOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@@]1(C)CCC[N@@H+](CC(=C)C)C1 ZINC001569719203 961835962 /nfs/dbraw/zinc/83/59/62/961835962.db2.gz JRQRZPMCRDEKCR-MSOLQXFVSA-N 1 1 292.467 3.383 20 30 CGEDMO CCCCCCCCC(=O)N1C[C@@H]2C[N@H+](CC)C[C@@H]2C1 ZINC001569881628 961864366 /nfs/dbraw/zinc/86/43/66/961864366.db2.gz IBMSQSJYFMIGRH-IYBDPMFKSA-N 1 1 280.456 3.147 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CCC[N@H+](CCCC)CC1 ZINC001570182270 961923597 /nfs/dbraw/zinc/92/35/97/961923597.db2.gz ZFDPRYCHFIREHD-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CCC(C)C)CC1 ZINC001570181579 961927823 /nfs/dbraw/zinc/92/78/23/961927823.db2.gz MIJWRDRHNWXDEW-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)C1C=CC=CC=C1 ZINC001570197596 961929249 /nfs/dbraw/zinc/92/92/49/961929249.db2.gz NZYHGZKJODNNFC-UHFFFAOYSA-N 1 1 288.435 3.031 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[C@H](C)CC)C(C)(C)C1 ZINC001570391025 961955654 /nfs/dbraw/zinc/95/56/54/961955654.db2.gz CLCAEMGQSZRPMK-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](CCF)[C@@H](C)C2)CCCC1 ZINC001570449386 961972879 /nfs/dbraw/zinc/97/28/79/961972879.db2.gz PLEHCRPBODQAJX-LSDHHAIUSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)/C=C/C(C)(C)C ZINC001570526386 961985291 /nfs/dbraw/zinc/98/52/91/961985291.db2.gz SPIPCBUAULXUSO-LPQFERQCSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)C1=CCCCCC1 ZINC001570527302 961987289 /nfs/dbraw/zinc/98/72/89/961987289.db2.gz FFABVMRHDGFYQU-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C/C(C)=C\CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC(=C)Cl ZINC001570539068 961992088 /nfs/dbraw/zinc/99/20/88/961992088.db2.gz XHPYJBQQPNXDDI-JEMSNHSXSA-N 1 1 296.842 3.184 20 30 CGEDMO C=C/C(C)=C\CC(=O)N1CCC[C@@H]1C[N@H+](C)CC(=C)Cl ZINC001570539068 961992102 /nfs/dbraw/zinc/99/21/02/961992102.db2.gz XHPYJBQQPNXDDI-JEMSNHSXSA-N 1 1 296.842 3.184 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@H](C)[N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001570735623 962053373 /nfs/dbraw/zinc/05/33/73/962053373.db2.gz IESCKPQLFHAMEB-AWEZNQCLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C(C)(C)CC(C)C)C(C)(C)C1 ZINC001570907640 962105834 /nfs/dbraw/zinc/10/58/34/962105834.db2.gz LJNIZEOTTBKCHE-HNNXBMFYSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H](CC)CCC)C2)C1 ZINC001571049681 962114834 /nfs/dbraw/zinc/11/48/34/962114834.db2.gz XHMRORVTPNDADS-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H]2C[N@H+](CCC)C[C@@H]2C1 ZINC001571024124 962120553 /nfs/dbraw/zinc/12/05/53/962120553.db2.gz UHQDWJWLUOCYCL-HRCADAONSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC(=C)C)C[C@H]2C1 ZINC001571024011 962121088 /nfs/dbraw/zinc/12/10/88/962121088.db2.gz SSOFVMVTRTYMFA-GVDBMIGSSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)CCC(=O)N[C@]12CCC[C@@H]1[N@@H+](CCC1CC1)CC2 ZINC001571500493 962165550 /nfs/dbraw/zinc/16/55/50/962165550.db2.gz DZDNUSBHWLSXCJ-WMZOPIPTSA-N 1 1 290.451 3.256 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)/C=C(/C)CC)CCC[C@@H]12 ZINC001571499008 962167937 /nfs/dbraw/zinc/16/79/37/962167937.db2.gz LPOXCYVJQBADLF-MITIMNCUSA-N 1 1 296.842 3.208 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)/C=C(/C)CC)CCC[C@@H]12 ZINC001571499008 962167952 /nfs/dbraw/zinc/16/79/52/962167952.db2.gz LPOXCYVJQBADLF-MITIMNCUSA-N 1 1 296.842 3.208 20 30 CGEDMO CC#CCCCC(=O)N[C@H]1CCC[N@H+](CCCCC)[C@@H]1C ZINC001571521979 962174237 /nfs/dbraw/zinc/17/42/37/962174237.db2.gz ZIBBQLKTHLEXMM-SJORKVTESA-N 1 1 292.467 3.339 20 30 CGEDMO C=CCC(C)(C)C(=O)NCC1=CC[N@@H+](C[C@@H](F)CC)CC1 ZINC001571695854 962209794 /nfs/dbraw/zinc/20/97/94/962209794.db2.gz CAVVNKGYJVPSER-HNNXBMFYSA-N 1 1 296.430 3.085 20 30 CGEDMO C=CCNC(=O)C[N@@H+](CCCC)[C@@H](C)c1ccc(C)o1 ZINC000621318372 349494972 /nfs/dbraw/zinc/49/49/72/349494972.db2.gz AJXOCJJPHFKGJL-AWEZNQCLSA-N 1 1 278.396 3.053 20 30 CGEDMO C=CCNC(=O)C[N@H+](CCCC)[C@@H](C)c1ccc(C)o1 ZINC000621318372 349494976 /nfs/dbraw/zinc/49/49/76/349494976.db2.gz AJXOCJJPHFKGJL-AWEZNQCLSA-N 1 1 278.396 3.053 20 30 CGEDMO C=CCC[C@H](O)C[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000621403964 349521361 /nfs/dbraw/zinc/52/13/61/349521361.db2.gz DPXOZNTZYXPIBY-STQMWFEESA-N 1 1 261.356 3.117 20 30 CGEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000124882974 187159068 /nfs/dbraw/zinc/15/90/68/187159068.db2.gz XXZDYAFYBOBBMR-PBHICJAKSA-N 1 1 297.402 3.151 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(F)c(OC)cc1OC ZINC000651606444 398257683 /nfs/dbraw/zinc/25/76/83/398257683.db2.gz LXDSJCUKBCDGNM-UHFFFAOYSA-N 1 1 267.344 3.241 20 30 CGEDMO C=CC[N@H+](Cc1nccnc1C)CC1CCCCC1 ZINC000621717244 349562608 /nfs/dbraw/zinc/56/26/08/349562608.db2.gz ZZCOHIWECNTUSB-UHFFFAOYSA-N 1 1 259.397 3.353 20 30 CGEDMO C[C@@H](C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)C(C)(C)C ZINC000590051985 346824347 /nfs/dbraw/zinc/82/43/47/346824347.db2.gz MYIMRDGUXGVFJS-ZFWWWQNUSA-N 1 1 287.407 3.089 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000590593826 346853309 /nfs/dbraw/zinc/85/33/09/346853309.db2.gz JEMDZNYFHCBKHF-WMZOPIPTSA-N 1 1 286.419 3.465 20 30 CGEDMO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@H]1C ZINC000590375347 346844833 /nfs/dbraw/zinc/84/48/33/346844833.db2.gz LYRNZELYCHKWPK-UWVGGRQHSA-N 1 1 268.282 3.417 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@H]1C ZINC000590375347 346844837 /nfs/dbraw/zinc/84/48/37/346844837.db2.gz LYRNZELYCHKWPK-UWVGGRQHSA-N 1 1 268.282 3.417 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](N(C)Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000590765831 346873098 /nfs/dbraw/zinc/87/30/98/346873098.db2.gz LHMCMFWZWBXRHU-GOSISDBHSA-N 1 1 299.462 3.402 20 30 CGEDMO CCc1cc(N(C)[C@H](C)c2cccc(C#N)c2)nc(C)[nH+]1 ZINC000425277287 529529174 /nfs/dbraw/zinc/52/91/74/529529174.db2.gz DSSCUXIEFDVXOQ-GFCCVEGCSA-N 1 1 280.375 3.417 20 30 CGEDMO CC1(C)C[C@@H](NCC2(C#N)CCC2)C[N@H+]1Cc1ccccc1 ZINC000591357744 346916953 /nfs/dbraw/zinc/91/69/53/346916953.db2.gz NYNZDWZTHPGUJG-QGZVFWFLSA-N 1 1 297.446 3.323 20 30 CGEDMO CC1(C)C[C@@H]([NH2+]CC2(C#N)CCC2)CN1Cc1ccccc1 ZINC000591357744 346916954 /nfs/dbraw/zinc/91/69/54/346916954.db2.gz NYNZDWZTHPGUJG-QGZVFWFLSA-N 1 1 297.446 3.323 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+](C(CC)CC)C1CC1 ZINC000591373862 346918500 /nfs/dbraw/zinc/91/85/00/346918500.db2.gz GUGVEYYYPZJDIH-UHFFFAOYSA-N 1 1 266.429 3.064 20 30 CGEDMO CCc1cnccc1[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC000358512981 529677820 /nfs/dbraw/zinc/67/78/20/529677820.db2.gz UWIJGKZLKYABFJ-CYBMUJFWSA-N 1 1 265.360 3.366 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@H]2NC[C@H]([NH3+])c1ccccc1 ZINC000591577345 346929392 /nfs/dbraw/zinc/92/93/92/346929392.db2.gz UQAKMJCGUWYOKW-RBUKOAKNSA-N 1 1 291.398 3.225 20 30 CGEDMO N#Cc1cnccc1C[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000592061081 346957999 /nfs/dbraw/zinc/95/79/99/346957999.db2.gz STHGENIXYZDPNY-QGZVFWFLSA-N 1 1 269.392 3.498 20 30 CGEDMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1ccncc1C#N ZINC000592069209 346959001 /nfs/dbraw/zinc/95/90/01/346959001.db2.gz MYKLIYQBIINGSC-YOEHRIQHSA-N 1 1 277.371 3.331 20 30 CGEDMO CCC1CCC([N@@H+](C)Cc2ccncc2C#N)CC1 ZINC000592071233 346960854 /nfs/dbraw/zinc/96/08/54/346960854.db2.gz CULTUMNIHHRNNY-UHFFFAOYSA-N 1 1 257.381 3.354 20 30 CGEDMO N#CC[C@@]1(O)CC[N@@H+](CCCc2cccc3ccccc32)C1 ZINC000592151396 346967640 /nfs/dbraw/zinc/96/76/40/346967640.db2.gz ODWICUZBNAKOOO-LJQANCHMSA-N 1 1 294.398 3.123 20 30 CGEDMO CCC(C)(C)c1ccc(C[N@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592153702 346967703 /nfs/dbraw/zinc/96/77/03/346967703.db2.gz NYGGPJTVJNRYNF-GOSISDBHSA-N 1 1 286.419 3.225 20 30 CGEDMO CC(C)(C)[C@H]1CCC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592120493 346964132 /nfs/dbraw/zinc/96/41/32/346964132.db2.gz DCUKHHZYXQSSJW-HNNXBMFYSA-N 1 1 257.381 3.211 20 30 CGEDMO Cc1cc(C[N@@H+]2CC3(C[C@H]2C)CCOCC3)ccc1C#N ZINC000592183917 346970429 /nfs/dbraw/zinc/97/04/29/346970429.db2.gz KYDTZMDEMBJEQX-OAHLLOKOSA-N 1 1 284.403 3.258 20 30 CGEDMO Cc1ccccc1-n1cc(C[NH+]2CCC(C)(C#N)CC2)cn1 ZINC000592505044 346993890 /nfs/dbraw/zinc/99/38/90/346993890.db2.gz JTPXJCSURRBAMC-UHFFFAOYSA-N 1 1 294.402 3.306 20 30 CGEDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1cccc(CC#N)c1 ZINC000592803758 347017791 /nfs/dbraw/zinc/01/77/91/347017791.db2.gz GVFQAPRHLJBQDR-ZDUSSCGKSA-N 1 1 296.374 3.101 20 30 CGEDMO C[C@]1(c2cccc(F)c2)CC[N@@H+](CCCSCC#N)C1 ZINC000593046573 347031776 /nfs/dbraw/zinc/03/17/76/347031776.db2.gz OYAALWSWOPHZKH-INIZCTEOSA-N 1 1 292.423 3.436 20 30 CGEDMO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)CCCC(C)(C)C#N ZINC000593124067 347042713 /nfs/dbraw/zinc/04/27/13/347042713.db2.gz RJNVBNDPZXEIRG-CYBMUJFWSA-N 1 1 282.428 3.368 20 30 CGEDMO C[N@@H+](CCN1Cc2cccc(C#N)c2C1)Cc1ccccc1 ZINC000593126339 347043056 /nfs/dbraw/zinc/04/30/56/347043056.db2.gz SYCGBAWQSRULIF-UHFFFAOYSA-N 1 1 291.398 3.006 20 30 CGEDMO CCCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000026465429 344906520 /nfs/dbraw/zinc/90/65/20/344906520.db2.gz VFHAABFTSOJHFQ-LLVKDONJSA-N 1 1 293.798 3.271 20 30 CGEDMO COCC[N@H+](Cc1ccccc1)Cc1ccccc1C#N ZINC000042977210 344991789 /nfs/dbraw/zinc/99/17/89/344991789.db2.gz MKPBNOWLVZHJTD-UHFFFAOYSA-N 1 1 280.371 3.207 20 30 CGEDMO COCC[N@@H+](Cc1ccccc1)Cc1ccccc1C#N ZINC000042977210 344991792 /nfs/dbraw/zinc/99/17/92/344991792.db2.gz MKPBNOWLVZHJTD-UHFFFAOYSA-N 1 1 280.371 3.207 20 30 CGEDMO C[C@H](c1ccccc1)[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000048434212 345066874 /nfs/dbraw/zinc/06/68/74/345066874.db2.gz NQHUEILNAWTXHW-OAHLLOKOSA-N 1 1 299.418 3.022 20 30 CGEDMO C[N@@H+](CCOc1ccccc1F)Cc1cccc(C#N)c1 ZINC000053421107 345120057 /nfs/dbraw/zinc/12/00/57/345120057.db2.gz BWWPRYJSPSFREK-UHFFFAOYSA-N 1 1 284.334 3.208 20 30 CGEDMO CC(C)[N@@H+](CCOc1cccc(C#N)c1)Cc1ccccn1 ZINC000052218700 345099952 /nfs/dbraw/zinc/09/99/52/345099952.db2.gz XHHOAVFQMSNPTP-UHFFFAOYSA-N 1 1 295.386 3.243 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1cc(Br)cs1 ZINC000054183329 345130222 /nfs/dbraw/zinc/13/02/22/345130222.db2.gz BWOZJYPYDRMDSR-VIFPVBQESA-N 1 1 273.199 3.292 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1c(C)nn(-c2ccccc2)c1C ZINC000054183458 345130263 /nfs/dbraw/zinc/13/02/63/345130263.db2.gz BSLBAFIFTXPBRG-OAHLLOKOSA-N 1 1 282.391 3.271 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)N[C@@H](C)CCCC(C)C ZINC000061758772 345232752 /nfs/dbraw/zinc/23/27/52/345232752.db2.gz AYQDTDUTYVIRBU-HNNXBMFYSA-N 1 1 268.445 3.215 20 30 CGEDMO N#CCSCCC[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000074990508 345489877 /nfs/dbraw/zinc/48/98/77/345489877.db2.gz HXFIQLVDLQGNOB-ZDUSSCGKSA-N 1 1 278.396 3.262 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCc1ccncc1 ZINC000076153974 345536558 /nfs/dbraw/zinc/53/65/58/345536558.db2.gz AVMCBAVNBSLHDG-RTBURBONSA-N 1 1 291.398 3.396 20 30 CGEDMO CCc1ccc(C[N@@H+](C)CCCSCC#N)cc1 ZINC000080626661 345680964 /nfs/dbraw/zinc/68/09/64/345680964.db2.gz GBPPUAWRKGBKKW-UHFFFAOYSA-N 1 1 262.422 3.328 20 30 CGEDMO CC[C@@H]1C[C@H](C)C[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000080747829 345685996 /nfs/dbraw/zinc/68/59/96/345685996.db2.gz WCUBKIHWRCXDSW-XJKSGUPXSA-N 1 1 285.391 3.007 20 30 CGEDMO COc1ccccc1C[C@H](C)[N@@H+](C)CC1(CC#N)CC1 ZINC000088259577 345758244 /nfs/dbraw/zinc/75/82/44/345758244.db2.gz RLXMPYDEGVTVHU-AWEZNQCLSA-N 1 1 272.392 3.252 20 30 CGEDMO Cc1cccc2c1ncc(C#N)c2NC[C@@H]1CCC[N@H+](C)C1 ZINC000091483102 345816646 /nfs/dbraw/zinc/81/66/46/345816646.db2.gz LHHUISPQGLRWKY-AWEZNQCLSA-N 1 1 294.402 3.169 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2C[C@H](C)[C@H](C)C2)c1C#N ZINC000091071304 345802784 /nfs/dbraw/zinc/80/27/84/345802784.db2.gz PPDQKJFUWFSASU-OKILXGFUSA-N 1 1 294.402 3.140 20 30 CGEDMO C=C(C)C[N@H+](CC)C1CCC(C(=O)OCC)CC1 ZINC000092868641 345860740 /nfs/dbraw/zinc/86/07/40/345860740.db2.gz NUEQUFYEIPMVGD-UHFFFAOYSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CCCCN(C)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000125333296 346016246 /nfs/dbraw/zinc/01/62/46/346016246.db2.gz KPUVPIMGPVIVCG-MRXNPFEDSA-N 1 1 295.471 3.249 20 30 CGEDMO C=CCCCN(C)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000125423730 346016675 /nfs/dbraw/zinc/01/66/75/346016675.db2.gz ROHPRODXUZJPHU-OAHLLOKOSA-N 1 1 295.471 3.105 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@@H](C)C2)c1C#N ZINC000126611488 346025783 /nfs/dbraw/zinc/02/57/83/346025783.db2.gz LTANGUACBIFFDZ-CQSZACIVSA-N 1 1 294.402 3.284 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@@H](C)C2)c1C#N ZINC000126611488 346025786 /nfs/dbraw/zinc/02/57/86/346025786.db2.gz LTANGUACBIFFDZ-CQSZACIVSA-N 1 1 294.402 3.284 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(C(=O)OC)cc1F ZINC000134926970 346085167 /nfs/dbraw/zinc/08/51/67/346085167.db2.gz OXAHIIXAAIJFJX-UHFFFAOYSA-N 1 1 265.328 3.010 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CCCC[C@@H]2C)c1C#N ZINC000131589302 346066654 /nfs/dbraw/zinc/06/66/54/346066654.db2.gz KROGPPDEXHQTEN-AWEZNQCLSA-N 1 1 294.402 3.427 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCCC[C@@H]2C)c1C#N ZINC000131589302 346066658 /nfs/dbraw/zinc/06/66/58/346066658.db2.gz KROGPPDEXHQTEN-AWEZNQCLSA-N 1 1 294.402 3.427 20 30 CGEDMO C=CC[N@H+](CCSCC)Cc1cccc([N+](=O)[O-])c1 ZINC000159747799 346168849 /nfs/dbraw/zinc/16/88/49/346168849.db2.gz MVMNRTHUEKJRLQ-UHFFFAOYSA-N 1 1 280.393 3.336 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)Cc1cccnc1 ZINC000171146319 346203173 /nfs/dbraw/zinc/20/31/73/346203173.db2.gz QIBFGOINUVFFNP-UHFFFAOYSA-N 1 1 252.361 3.312 20 30 CGEDMO Cc1nn(-c2cccc(C)c2)cc1C[NH2+]CC1(C#N)CCC1 ZINC000593633563 347097586 /nfs/dbraw/zinc/09/75/86/347097586.db2.gz QNMDVEFNXFKQQG-UHFFFAOYSA-N 1 1 294.402 3.273 20 30 CGEDMO N#CC1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCCC1 ZINC000593650720 347099483 /nfs/dbraw/zinc/09/94/83/347099483.db2.gz YWWWNEFYTUQRHS-FNORWQNLSA-N 1 1 285.347 3.282 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000397653005 346584123 /nfs/dbraw/zinc/58/41/23/346584123.db2.gz UMQSTFBVWJZQEJ-STQMWFEESA-N 1 1 256.340 3.438 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000571643486 346667445 /nfs/dbraw/zinc/66/74/45/346667445.db2.gz KCBATFGAXXJBCH-JKSUJKDBSA-N 1 1 251.414 3.216 20 30 CGEDMO C=CCCCC[N@H+](Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000584761310 346712380 /nfs/dbraw/zinc/71/23/80/346712380.db2.gz KKRKBPYVNIUMGN-UHFFFAOYSA-N 1 1 290.382 3.245 20 30 CGEDMO N#Cc1ccncc1NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000584817484 346716647 /nfs/dbraw/zinc/71/66/47/346716647.db2.gz XKBBNNAPCHAJMC-INIZCTEOSA-N 1 1 284.407 3.162 20 30 CGEDMO N#C[C@@H]1CC[C@H]([NH2+][C@@H](Cc2ccccc2)c2ncco2)C1 ZINC000594055179 347146161 /nfs/dbraw/zinc/14/61/61/347146161.db2.gz JJERZHKBDTUWCE-PMPSAXMXSA-N 1 1 281.359 3.240 20 30 CGEDMO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1ccc(C#N)cn1 ZINC000593972501 347127223 /nfs/dbraw/zinc/12/72/23/347127223.db2.gz SDPOKPPXGWCSSK-JQWIXIFHSA-N 1 1 283.297 3.116 20 30 CGEDMO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1ccc(C#N)cn1 ZINC000593972501 347127227 /nfs/dbraw/zinc/12/72/27/347127227.db2.gz SDPOKPPXGWCSSK-JQWIXIFHSA-N 1 1 283.297 3.116 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@@H]1CSc1ccncc1C#N ZINC000594908946 347227308 /nfs/dbraw/zinc/22/73/08/347227308.db2.gz PKIRYUHUDVLXIR-CQSZACIVSA-N 1 1 275.421 3.308 20 30 CGEDMO CC[N@@H+]1CCCC[C@@H]1CNCc1ccc(C2(C#N)CC2)cc1 ZINC000594922790 347230418 /nfs/dbraw/zinc/23/04/18/347230418.db2.gz GXMKKCPYTKPZQD-GOSISDBHSA-N 1 1 297.446 3.206 20 30 CGEDMO CC[N@H+]1CCCC[C@@H]1CNCc1ccc(C2(C#N)CC2)cc1 ZINC000594922790 347230420 /nfs/dbraw/zinc/23/04/20/347230420.db2.gz GXMKKCPYTKPZQD-GOSISDBHSA-N 1 1 297.446 3.206 20 30 CGEDMO CC(C)Oc1ccc(C#N)cc1NCc1c[nH+]c2n1CCC2 ZINC000594947051 347237649 /nfs/dbraw/zinc/23/76/49/347237649.db2.gz WMSZBFBBOGFVID-UHFFFAOYSA-N 1 1 296.374 3.100 20 30 CGEDMO CO[C@H](C[N@@H+](C)Cc1cccc(C#N)c1)C1CCCC1 ZINC000595291103 347287493 /nfs/dbraw/zinc/28/74/93/347287493.db2.gz YFURJPRGRRQZJN-QGZVFWFLSA-N 1 1 272.392 3.195 20 30 CGEDMO CO[C@@H](C[N@@H+](CCC#N)CC(C)(C)C)C1CCCC1 ZINC000595328729 347292778 /nfs/dbraw/zinc/29/27/78/347292778.db2.gz LGCRDAUSNIOVRM-HNNXBMFYSA-N 1 1 266.429 3.453 20 30 CGEDMO N#Cc1ccc(CC[N@@H+]2CCc3ccc(F)c(F)c3C2)cc1 ZINC000595350997 347295553 /nfs/dbraw/zinc/29/55/53/347295553.db2.gz DBWIGBYYUZCTFM-UHFFFAOYSA-N 1 1 298.336 3.437 20 30 CGEDMO C[C@@H](NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc(C#N)cc1F ZINC000595055070 347271012 /nfs/dbraw/zinc/27/10/12/347271012.db2.gz ZXOUOOJMRHQSBE-OCCSQVGLSA-N 1 1 289.398 3.221 20 30 CGEDMO C[C@@H](NC[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc(C#N)cc1F ZINC000595055070 347271016 /nfs/dbraw/zinc/27/10/16/347271016.db2.gz ZXOUOOJMRHQSBE-OCCSQVGLSA-N 1 1 289.398 3.221 20 30 CGEDMO CC[C@H]([NH2+]Cc1nccc(OC)c1F)c1ccc(C#N)cc1 ZINC000595082285 347279870 /nfs/dbraw/zinc/27/98/70/347279870.db2.gz XUHFQBDGZFCXRZ-AWEZNQCLSA-N 1 1 299.349 3.342 20 30 CGEDMO CC[C@H](C)[N@@H+](CC)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000595598531 347323596 /nfs/dbraw/zinc/32/35/96/347323596.db2.gz FXNRVUPNXSJDNG-YOEHRIQHSA-N 1 1 299.418 3.174 20 30 CGEDMO CC[C@H](C)[N@H+](CC)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000595600221 347324116 /nfs/dbraw/zinc/32/41/16/347324116.db2.gz OCOAGBHMPZGEQG-NSHDSACASA-N 1 1 261.325 3.087 20 30 CGEDMO CC[C@H](C)[N@@H+](CC)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000595600221 347324118 /nfs/dbraw/zinc/32/41/18/347324118.db2.gz OCOAGBHMPZGEQG-NSHDSACASA-N 1 1 261.325 3.087 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000595610361 347326361 /nfs/dbraw/zinc/32/63/61/347326361.db2.gz XBBISQHMPWJBSW-CQSZACIVSA-N 1 1 281.359 3.467 20 30 CGEDMO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595611178 347326467 /nfs/dbraw/zinc/32/64/67/347326467.db2.gz HVTVKDAUAVOFLJ-CVEARBPZSA-N 1 1 299.418 3.256 20 30 CGEDMO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595611178 347326469 /nfs/dbraw/zinc/32/64/69/347326469.db2.gz HVTVKDAUAVOFLJ-CVEARBPZSA-N 1 1 299.418 3.256 20 30 CGEDMO COc1cccc(CCC[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595615370 347327235 /nfs/dbraw/zinc/32/72/35/347327235.db2.gz QEMOJHFSNAOHEC-MRXNPFEDSA-N 1 1 272.392 3.253 20 30 CGEDMO Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595612418 347327853 /nfs/dbraw/zinc/32/78/53/347327853.db2.gz WNOIBDFIPDLMAU-JKSUJKDBSA-N 1 1 299.418 3.256 20 30 CGEDMO Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595612418 347327854 /nfs/dbraw/zinc/32/78/54/347327854.db2.gz WNOIBDFIPDLMAU-JKSUJKDBSA-N 1 1 299.418 3.256 20 30 CGEDMO CSc1ccc(OCC[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000595615464 347327937 /nfs/dbraw/zinc/32/79/37/347327937.db2.gz RJZPSDCETWBNAG-AWEZNQCLSA-N 1 1 290.432 3.413 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](CCCc2cccc(F)c2)C1 ZINC000595620221 347328451 /nfs/dbraw/zinc/32/84/51/347328451.db2.gz KNICGLUTHHBOEH-HNNXBMFYSA-N 1 1 260.356 3.384 20 30 CGEDMO CC(C)(C)OCCCC[N@H+]1CCC[C@H](CC#N)C1 ZINC000595623115 347329594 /nfs/dbraw/zinc/32/95/94/347329594.db2.gz HVUUMQCUUIZHLG-CQSZACIVSA-N 1 1 252.402 3.207 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cc(C)c(C(=O)OC)o2)C1 ZINC000595660527 347334047 /nfs/dbraw/zinc/33/40/47/347334047.db2.gz UJQVBWTVFWURJX-CYBMUJFWSA-N 1 1 277.364 3.163 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000595660518 347334107 /nfs/dbraw/zinc/33/41/07/347334107.db2.gz UADOFTWNJKDURO-NSHDSACASA-N 1 1 266.366 3.444 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2OC)C1 ZINC000595661619 347335055 /nfs/dbraw/zinc/33/50/55/347335055.db2.gz XTAYSTSVSSAWRZ-CQSZACIVSA-N 1 1 270.376 3.355 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@](O)(C3CC3)C2)cc1 ZINC000595749916 347349414 /nfs/dbraw/zinc/34/94/14/347349414.db2.gz IIMDQOIKNHBMFK-LJQANCHMSA-N 1 1 298.430 3.225 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](CCF)C2)c(F)c1 ZINC000595755077 347350342 /nfs/dbraw/zinc/35/03/42/347350342.db2.gz FXYLWJAPHPJPLU-LBPRGKRZSA-N 1 1 264.319 3.269 20 30 CGEDMO C=CC[N@H+](CCOc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000595764309 347352568 /nfs/dbraw/zinc/35/25/68/347352568.db2.gz ZPCSAQONOCJEDD-UHFFFAOYSA-N 1 1 278.352 3.260 20 30 CGEDMO COc1cccc([C@@]2(C)CC[N@H+]([C@@H](C)CCC#N)C2)c1 ZINC000595764441 347352728 /nfs/dbraw/zinc/35/27/28/347352728.db2.gz ISZDFSKUWVWKFB-YOEHRIQHSA-N 1 1 272.392 3.351 20 30 CGEDMO CC[C@@H]1CC[C@@H](C)[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000595785570 347356011 /nfs/dbraw/zinc/35/60/11/347356011.db2.gz XZZQOLGSMFNQNW-VXGBXAGGSA-N 1 1 291.420 3.069 20 30 CGEDMO CC[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000595785570 347356013 /nfs/dbraw/zinc/35/60/13/347356013.db2.gz XZZQOLGSMFNQNW-VXGBXAGGSA-N 1 1 291.420 3.069 20 30 CGEDMO CC(C)[C@H]1CN([C@H](C#N)c2ccc(Cl)cc2)CC[N@H+]1C ZINC000595463040 347307859 /nfs/dbraw/zinc/30/78/59/347307859.db2.gz YJPGXAQCOLOZSG-HZPDHXFCSA-N 1 1 291.826 3.177 20 30 CGEDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595493953 347311541 /nfs/dbraw/zinc/31/15/41/347311541.db2.gz XPKVOHAHAXWVSY-CRAIPNDOSA-N 1 1 286.419 3.116 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](c3ccccn3)C2)c1F ZINC000595500456 347312084 /nfs/dbraw/zinc/31/20/84/347312084.db2.gz JNLYITKXDGCEPW-HNNXBMFYSA-N 1 1 295.361 3.472 20 30 CGEDMO C[C@@H]1CN([C@H](C#N)c2ccccc2)CC[N@H+](C2CCC2)C1 ZINC000595503008 347312100 /nfs/dbraw/zinc/31/21/00/347312100.db2.gz YQSVTFXNABQISN-MAUKXSAKSA-N 1 1 283.419 3.057 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@@H+](C1CC1)C1(CO)CCC1 ZINC000595534266 347316099 /nfs/dbraw/zinc/31/60/99/347316099.db2.gz RPRZKBSSZBHGCA-UHFFFAOYSA-N 1 1 290.794 3.091 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000595838403 347364254 /nfs/dbraw/zinc/36/42/54/347364254.db2.gz BNKCJEOBHWJGBR-CQSZACIVSA-N 1 1 298.308 3.363 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000595838403 347364257 /nfs/dbraw/zinc/36/42/57/347364257.db2.gz BNKCJEOBHWJGBR-CQSZACIVSA-N 1 1 298.308 3.363 20 30 CGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1[C@@H]2CC[C@H]1CC(C)C2 ZINC000595856886 347368071 /nfs/dbraw/zinc/36/80/71/347368071.db2.gz GRMRQFSHZDQQDA-XLQNHZQQSA-N 1 1 297.402 3.148 20 30 CGEDMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1c(F)cc(C#N)cc1F ZINC000596307342 347414233 /nfs/dbraw/zinc/41/42/33/347414233.db2.gz KUNKOGWEWXUWOO-LLVKDONJSA-N 1 1 279.334 3.121 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC3CC2(c2ccccc2)C3)ccn1 ZINC000595909882 347371862 /nfs/dbraw/zinc/37/18/62/347371862.db2.gz UVTIJFSTDPCDLU-UHFFFAOYSA-N 1 1 275.355 3.074 20 30 CGEDMO CCC[N@@H+](C)CC(C)(C)Nc1nc2ncccc2cc1C#N ZINC000596540040 347476641 /nfs/dbraw/zinc/47/66/41/347476641.db2.gz CMXVFOZOFUDOBG-UHFFFAOYSA-N 1 1 297.406 3.034 20 30 CGEDMO C[NH+](Cc1ccc(C2(C#N)CC2)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000596984206 347524389 /nfs/dbraw/zinc/52/43/89/347524389.db2.gz QUJJUHCSXAJYMK-QGZVFWFLSA-N 1 1 297.446 3.015 20 30 CGEDMO C[NH+](Cc1ccc(C2(C#N)CC2)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000596984206 347524393 /nfs/dbraw/zinc/52/43/93/347524393.db2.gz QUJJUHCSXAJYMK-QGZVFWFLSA-N 1 1 297.446 3.015 20 30 CGEDMO CN1CCC[C@@H](C[N@H+](C)Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000596984206 347524399 /nfs/dbraw/zinc/52/43/99/347524399.db2.gz QUJJUHCSXAJYMK-QGZVFWFLSA-N 1 1 297.446 3.015 20 30 CGEDMO CN1CCC[C@@H](C[N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000596984206 347524403 /nfs/dbraw/zinc/52/44/03/347524403.db2.gz QUJJUHCSXAJYMK-QGZVFWFLSA-N 1 1 297.446 3.015 20 30 CGEDMO CN(Cc1ccc(C2(C#N)CC2)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000596984206 347524405 /nfs/dbraw/zinc/52/44/05/347524405.db2.gz QUJJUHCSXAJYMK-QGZVFWFLSA-N 1 1 297.446 3.015 20 30 CGEDMO CN(Cc1ccc(C2(C#N)CC2)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000596984206 347524408 /nfs/dbraw/zinc/52/44/08/347524408.db2.gz QUJJUHCSXAJYMK-QGZVFWFLSA-N 1 1 297.446 3.015 20 30 CGEDMO CCN1CCC([N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596982699 347524488 /nfs/dbraw/zinc/52/44/88/347524488.db2.gz FXVAIPGUKBPWNN-UHFFFAOYSA-N 1 1 297.446 3.158 20 30 CGEDMO CC[NH+]1CCC(N(C)Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596982699 347524496 /nfs/dbraw/zinc/52/44/96/347524496.db2.gz FXVAIPGUKBPWNN-UHFFFAOYSA-N 1 1 297.446 3.158 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CC(C)(C)O1 ZINC000597001657 347526782 /nfs/dbraw/zinc/52/67/82/347526782.db2.gz ZFRUIRCJSBUZNG-AWEZNQCLSA-N 1 1 284.403 3.241 20 30 CGEDMO C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)Cc1ccccn1 ZINC000597081008 347533679 /nfs/dbraw/zinc/53/36/79/347533679.db2.gz ZCBLALHSIXMRNH-UHFFFAOYSA-N 1 1 277.371 3.269 20 30 CGEDMO CC(C)[C@@H]1CN(C)CC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597084901 347534651 /nfs/dbraw/zinc/53/46/51/347534651.db2.gz QQDJKEYTJSNEQL-SFHVURJKSA-N 1 1 297.446 3.014 20 30 CGEDMO CC(C)[C@@H]1C[N@H+](C)CCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597084901 347534655 /nfs/dbraw/zinc/53/46/55/347534655.db2.gz QQDJKEYTJSNEQL-SFHVURJKSA-N 1 1 297.446 3.014 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](C)CCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597084901 347534659 /nfs/dbraw/zinc/53/46/59/347534659.db2.gz QQDJKEYTJSNEQL-SFHVURJKSA-N 1 1 297.446 3.014 20 30 CGEDMO CCO[C@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@H]1C ZINC000597138306 347539892 /nfs/dbraw/zinc/53/98/92/347539892.db2.gz PKZZGANCSRZYCA-QAPCUYQASA-N 1 1 298.430 3.489 20 30 CGEDMO N#CC1(c2ccc(C[N@@H+]3CC[C@@H](O)CC34CCC4)cc2)CC1 ZINC000597152483 347540826 /nfs/dbraw/zinc/54/08/26/347540826.db2.gz BMQKCNVAEFGVIT-QGZVFWFLSA-N 1 1 296.414 3.121 20 30 CGEDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)CC1(C#N)CCCCC1 ZINC000597671763 347586601 /nfs/dbraw/zinc/58/66/01/347586601.db2.gz PFVSRZXDFHJEFN-OAHLLOKOSA-N 1 1 293.455 3.087 20 30 CGEDMO CC1(c2ccccc2)C[NH+](Cc2cc(C#N)cs2)C1 ZINC000598677211 347678126 /nfs/dbraw/zinc/67/81/26/347678126.db2.gz NEVYUXATCUCDOW-UHFFFAOYSA-N 1 1 268.385 3.393 20 30 CGEDMO C[N@H+]1CC[C@@H](NC2(c3cccc(C#N)c3)CC2)CC1(C)C ZINC000598971529 347702512 /nfs/dbraw/zinc/70/25/12/347702512.db2.gz VIRIUEDKIGIRHG-MRXNPFEDSA-N 1 1 283.419 3.010 20 30 CGEDMO CC[C@@H](NC[C@H]1CCCC[N@H+](C)C1)c1ccc(C#N)cc1 ZINC000599071996 347714470 /nfs/dbraw/zinc/71/44/70/347714470.db2.gz WBBZOIPBZCJGNO-SJLPKXTDSA-N 1 1 285.435 3.331 20 30 CGEDMO CC[C@@H](NC[C@H]1CCCC[N@@H+](C)C1)c1ccc(C#N)cc1 ZINC000599071996 347714473 /nfs/dbraw/zinc/71/44/73/347714473.db2.gz WBBZOIPBZCJGNO-SJLPKXTDSA-N 1 1 285.435 3.331 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000598584647 347665977 /nfs/dbraw/zinc/66/59/77/347665977.db2.gz QUFHKJJMQLBXQE-QWHCGFSZSA-N 1 1 278.421 3.186 20 30 CGEDMO CC[C@H](C)[C@H]1CCCC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598591387 347667752 /nfs/dbraw/zinc/66/77/52/347667752.db2.gz ASAIIECICIAMQI-SOUVJXGZSA-N 1 1 266.429 3.188 20 30 CGEDMO CC[C@H]1c2ccccc2CC[N@@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598593257 347668361 /nfs/dbraw/zinc/66/83/61/347668361.db2.gz RJRAGHPEBVKUFU-WBVHZDCISA-N 1 1 286.419 3.297 20 30 CGEDMO Cc1ccc([C@H]2CCCC[N@H+]2C[C@@H](O)CC(C)(C)C#N)o1 ZINC000598593517 347668418 /nfs/dbraw/zinc/66/84/18/347668418.db2.gz UHEIHSXTMKGUCS-LSDHHAIUSA-N 1 1 290.407 3.416 20 30 CGEDMO CC[C@H](Cc1ccccc1)[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598593239 347668635 /nfs/dbraw/zinc/66/86/35/347668635.db2.gz RCAATVRMDLTFDS-IAGOWNOFSA-N 1 1 288.435 3.240 20 30 CGEDMO CC[C@H]1Cc2ccccc2C[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598603904 347670631 /nfs/dbraw/zinc/67/06/31/347670631.db2.gz HNJWWLSCLWOSPU-DLBZAZTESA-N 1 1 286.419 3.124 20 30 CGEDMO C[N@H+](Cc1ccc(F)c(Cl)c1)C[C@H](O)CC(C)(C)C#N ZINC000598609966 347670648 /nfs/dbraw/zinc/67/06/48/347670648.db2.gz LZMCCGVGCATVLI-GFCCVEGCSA-N 1 1 298.789 3.212 20 30 CGEDMO Cc1ccccc1C[C@H](C)[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598613588 347671635 /nfs/dbraw/zinc/67/16/35/347671635.db2.gz KEEVYBNXRHOPDR-DOTOQJQBSA-N 1 1 288.435 3.159 20 30 CGEDMO CC(C)(C)C[C@H]1CC[N@@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598619103 347672451 /nfs/dbraw/zinc/67/24/51/347672451.db2.gz AMLVVJYVTNNDPW-ZIAGYGMSSA-N 1 1 266.429 3.045 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCCC[C@H]1CC1CCC1 ZINC000598627547 347673043 /nfs/dbraw/zinc/67/30/43/347673043.db2.gz HMUHBPBSAJMBIG-JKSUJKDBSA-N 1 1 278.440 3.332 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000598627104 347673242 /nfs/dbraw/zinc/67/32/42/347673242.db2.gz PFEBJEAMIHBMJI-HZPDHXFCSA-N 1 1 278.440 3.189 20 30 CGEDMO C[C@]12CCCC[C@H]1C[N@H+]2CCc1ccc(C#N)cc1 ZINC000599670369 347763473 /nfs/dbraw/zinc/76/34/73/347763473.db2.gz JIGKAYKLTFYDSX-IRXDYDNUSA-N 1 1 254.377 3.365 20 30 CGEDMO N#CCc1cccc2c1CC[N@H+]([C@@H]1C=CCCC1)C2 ZINC000599678724 347764783 /nfs/dbraw/zinc/76/47/83/347764783.db2.gz LUGQDQBJOMVYBY-MRXNPFEDSA-N 1 1 252.361 3.219 20 30 CGEDMO N#CCc1cccc2c1CC[N@H+](C[C@@H](O)C1CCCCC1)C2 ZINC000599679120 347765102 /nfs/dbraw/zinc/76/51/02/347765102.db2.gz WIHQUKRZLPJDSZ-LJQANCHMSA-N 1 1 298.430 3.052 20 30 CGEDMO CCc1ccc([C@@H](COC)[NH2+]Cc2ccc(C)c(C#N)c2)o1 ZINC000599360194 347739399 /nfs/dbraw/zinc/73/93/99/347739399.db2.gz SWBMWCDFHCFTJQ-QGZVFWFLSA-N 1 1 298.386 3.499 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCO[C@H](C(C)(C)C)C2)cc1C#N ZINC000599393024 347741457 /nfs/dbraw/zinc/74/14/57/347741457.db2.gz BESVZLDIBKCWPK-INIZCTEOSA-N 1 1 272.392 3.114 20 30 CGEDMO Cc1ccc(C[N@H+]2CCO[C@H](C(C)(C)C)C2)cc1C#N ZINC000599393024 347741459 /nfs/dbraw/zinc/74/14/59/347741459.db2.gz BESVZLDIBKCWPK-INIZCTEOSA-N 1 1 272.392 3.114 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCC[C@H](OC(C)C)C2)cc1C#N ZINC000599451245 347746298 /nfs/dbraw/zinc/74/62/98/347746298.db2.gz UQRWDMBXQJVVPE-KRWDZBQOSA-N 1 1 272.392 3.256 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@@H](OC3CCC3)C2)cc1C#N ZINC000599454548 347747076 /nfs/dbraw/zinc/74/70/76/347747076.db2.gz QNPFGDQCEHGFKT-GOSISDBHSA-N 1 1 284.403 3.400 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H](C)C1(F)F ZINC000599512249 347749396 /nfs/dbraw/zinc/74/93/96/347749396.db2.gz GUMVCKFGYDLATN-PHIMTYICSA-N 1 1 282.309 3.420 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H](C)C1(F)F ZINC000599512249 347749397 /nfs/dbraw/zinc/74/93/97/347749397.db2.gz GUMVCKFGYDLATN-PHIMTYICSA-N 1 1 282.309 3.420 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCCC(F)(F)CC1 ZINC000599552761 347753564 /nfs/dbraw/zinc/75/35/64/347753564.db2.gz OLBYHBIRIAWTJC-UHFFFAOYSA-N 1 1 280.318 3.188 20 30 CGEDMO C[C@H](C[N@@H+](C)C[C@H](O)CC(C)(C)C#N)C1CCCCC1 ZINC000599633336 347760792 /nfs/dbraw/zinc/76/07/92/347760792.db2.gz QTVDTQRLQZBQTB-GDBMZVCRSA-N 1 1 280.456 3.435 20 30 CGEDMO N#CCc1cccc2c1CC[N@H+](Cc1cccc(O)c1)C2 ZINC000600214029 347794942 /nfs/dbraw/zinc/79/49/42/347794942.db2.gz KSDSXEIHMSNVFA-UHFFFAOYSA-N 1 1 278.355 3.017 20 30 CGEDMO C[C@@]1(C#N)CCC[N@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000600145492 347784701 /nfs/dbraw/zinc/78/47/01/347784701.db2.gz RWNKHEDOKYDFKO-INIZCTEOSA-N 1 1 253.349 3.294 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000600145492 347784703 /nfs/dbraw/zinc/78/47/03/347784703.db2.gz RWNKHEDOKYDFKO-INIZCTEOSA-N 1 1 253.349 3.294 20 30 CGEDMO N#CC1(C[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000600153604 347785353 /nfs/dbraw/zinc/78/53/53/347785353.db2.gz NNSFWEMSUUFZKP-ZDUSSCGKSA-N 1 1 264.731 3.360 20 30 CGEDMO N#CCCCOc1cccc(Cn2c[nH+]c3c2CCCC3)c1 ZINC000600179626 347789714 /nfs/dbraw/zinc/78/97/14/347789714.db2.gz RNEZUWHKJMVXLK-UHFFFAOYSA-N 1 1 295.386 3.493 20 30 CGEDMO N#Cc1cccc(C[NH2+][C@H]2CCCOc3ccc(F)cc32)n1 ZINC000602527872 347976479 /nfs/dbraw/zinc/97/64/79/347976479.db2.gz NBYZHPULJGWSJF-INIZCTEOSA-N 1 1 297.333 3.096 20 30 CGEDMO N#Cc1ccc(F)c(-c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000602421552 347955675 /nfs/dbraw/zinc/95/56/75/347955675.db2.gz NMMQUAYYIGJFOJ-UHFFFAOYSA-N 1 1 296.345 3.197 20 30 CGEDMO COCC[N@H+](Cc1ccccc1)C[C@@H](C)CCC#N ZINC000602435946 347957193 /nfs/dbraw/zinc/95/71/93/347957193.db2.gz WVBKOEAVYCFCCZ-HNNXBMFYSA-N 1 1 260.381 3.075 20 30 CGEDMO C[C@H](c1ccccc1)[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602432673 347957275 /nfs/dbraw/zinc/95/72/75/347957275.db2.gz NGUUSAGSIRJYPZ-CYBMUJFWSA-N 1 1 251.333 3.146 20 30 CGEDMO COc1cccc(OC)c1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000602441568 347959484 /nfs/dbraw/zinc/95/94/84/347959484.db2.gz QKGNYRZIKMMQNO-UHFFFAOYSA-N 1 1 296.370 3.207 20 30 CGEDMO COc1cccc(OC)c1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000602441568 347959485 /nfs/dbraw/zinc/95/94/85/347959485.db2.gz QKGNYRZIKMMQNO-UHFFFAOYSA-N 1 1 296.370 3.207 20 30 CGEDMO CCc1nc(C[N@@H+](C)C[C@H](C)CCC#N)cs1 ZINC000602455295 347961327 /nfs/dbraw/zinc/96/13/27/347961327.db2.gz RQMANUDRIXQIRH-LLVKDONJSA-N 1 1 251.399 3.077 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)n1 ZINC000602463481 347962298 /nfs/dbraw/zinc/96/22/98/347962298.db2.gz GQCOXXQQCBKYCW-KRWDZBQOSA-N 1 1 291.398 3.408 20 30 CGEDMO CC[C@@H](C)[C@@H](C)[N@@H+](Cc1cccc(C#N)n1)C1CC1 ZINC000602465372 347963107 /nfs/dbraw/zinc/96/31/07/347963107.db2.gz QCHYXUDKEIQFTJ-CHWSQXEVSA-N 1 1 257.381 3.352 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)n1 ZINC000602469294 347964164 /nfs/dbraw/zinc/96/41/64/347964164.db2.gz SJNALPCTIFQJSU-CQSZACIVSA-N 1 1 281.334 3.082 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000602485339 347967729 /nfs/dbraw/zinc/96/77/29/347967729.db2.gz SEYZXWKDJOKBLZ-AWEZNQCLSA-N 1 1 259.397 3.124 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](CCC[C@@H]3CCO3)CC2)cc1 ZINC000602494917 347969235 /nfs/dbraw/zinc/96/92/35/347969235.db2.gz QWSQONUJFRAFKO-GOSISDBHSA-N 1 1 282.387 3.216 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000602585128 347988946 /nfs/dbraw/zinc/98/89/46/347988946.db2.gz NLUZKWRXCSYXKT-JTQLQIEISA-N 1 1 270.298 3.476 20 30 CGEDMO N#Cc1cccc(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)n1 ZINC000602585829 347988964 /nfs/dbraw/zinc/98/89/64/347988964.db2.gz VLZAVHUPKYLGRZ-MRXNPFEDSA-N 1 1 297.333 3.096 20 30 CGEDMO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1cccc(C#N)n1 ZINC000602596168 347990880 /nfs/dbraw/zinc/99/08/80/347990880.db2.gz ILYGMECZBWFLJW-QWRGUYRKSA-N 1 1 283.297 3.116 20 30 CGEDMO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1cccc(C#N)n1 ZINC000602596168 347990884 /nfs/dbraw/zinc/99/08/84/347990884.db2.gz ILYGMECZBWFLJW-QWRGUYRKSA-N 1 1 283.297 3.116 20 30 CGEDMO N#CCCCN[C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602603570 347992211 /nfs/dbraw/zinc/99/22/11/347992211.db2.gz DIZSGRXDTNRLCW-FUHWJXTLSA-N 1 1 283.419 3.248 20 30 CGEDMO N#CCCCN[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602603570 347992213 /nfs/dbraw/zinc/99/22/13/347992213.db2.gz DIZSGRXDTNRLCW-FUHWJXTLSA-N 1 1 283.419 3.248 20 30 CGEDMO COc1cccc(C)c1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000602611696 347993583 /nfs/dbraw/zinc/99/35/83/347993583.db2.gz YOXUPRNHNGZNDB-MRXNPFEDSA-N 1 1 258.365 3.129 20 30 CGEDMO COc1cccc(C)c1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000602611696 347993588 /nfs/dbraw/zinc/99/35/88/347993588.db2.gz YOXUPRNHNGZNDB-MRXNPFEDSA-N 1 1 258.365 3.129 20 30 CGEDMO C[C@@H](C[N@H+](C[C@@H](C)CCC#N)[C@@H](C)CO)c1ccccc1 ZINC000602667809 348004884 /nfs/dbraw/zinc/00/48/84/348004884.db2.gz TXQZELXZVLQBMZ-ULQDDVLXSA-N 1 1 288.435 3.413 20 30 CGEDMO C[N@@H+](Cc1cccc2ncccc12)CC(C)(C)C#N ZINC000602673026 348005629 /nfs/dbraw/zinc/00/56/29/348005629.db2.gz BFUSMPPDYLEAHT-UHFFFAOYSA-N 1 1 253.349 3.216 20 30 CGEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCO[C@@H]1C ZINC000602765860 348025369 /nfs/dbraw/zinc/02/53/69/348025369.db2.gz NIUNUMAPGNGUPC-CRAIPNDOSA-N 1 1 286.419 3.441 20 30 CGEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCO[C@@H]1C ZINC000602765862 348025578 /nfs/dbraw/zinc/02/55/78/348025578.db2.gz NIUNUMAPGNGUPC-QAPCUYQASA-N 1 1 286.419 3.441 20 30 CGEDMO C[C@H]1C[NH+](Cc2cccc(C(F)F)c2)C[C@H](C)N1CC#N ZINC000602854732 348037115 /nfs/dbraw/zinc/03/71/15/348037115.db2.gz QTHIAQXIODUDNQ-STQMWFEESA-N 1 1 293.361 3.042 20 30 CGEDMO COc1cccc([C@@]2(C)CC[N@@H+](CC3(CC#N)CC3)C2)c1 ZINC000602897888 348041873 /nfs/dbraw/zinc/04/18/73/348041873.db2.gz UHKOBVIJSYKYQB-KRWDZBQOSA-N 1 1 284.403 3.352 20 30 CGEDMO N#CCC1(C[NH2+][C@H](C(F)F)C2CCCCC2)CC1 ZINC000602910636 348043547 /nfs/dbraw/zinc/04/35/47/348043547.db2.gz BIUDMVZCKAGELY-LBPRGKRZSA-N 1 1 256.340 3.484 20 30 CGEDMO C[N@@H+](CCc1ccc(F)c(F)c1)[C@H]1CCC[C@H]1C#N ZINC000602978086 348049474 /nfs/dbraw/zinc/04/94/74/348049474.db2.gz LIEGRKHILMIJID-WFASDCNBSA-N 1 1 264.319 3.131 20 30 CGEDMO C[N@@H+](CCCc1cccc(F)c1)[C@@H]1CCC[C@H]1C#N ZINC000602980418 348050413 /nfs/dbraw/zinc/05/04/13/348050413.db2.gz PYEKCCVSWVDZOS-GOEBONIOSA-N 1 1 260.356 3.382 20 30 CGEDMO C[N@H+](CCc1nsc2ccccc21)[C@H]1CCC[C@@H]1C#N ZINC000602982390 348052103 /nfs/dbraw/zinc/05/21/03/348052103.db2.gz RWESRINYTQBLTK-DOMZBBRYSA-N 1 1 285.416 3.463 20 30 CGEDMO C[N@@H+](CCc1nsc2ccccc21)[C@H]1CCC[C@@H]1C#N ZINC000602982390 348052106 /nfs/dbraw/zinc/05/21/06/348052106.db2.gz RWESRINYTQBLTK-DOMZBBRYSA-N 1 1 285.416 3.463 20 30 CGEDMO COc1cncc(/C=C/CC[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000602982619 348052510 /nfs/dbraw/zinc/05/25/10/348052510.db2.gz VOFOUBGFCGUEJX-OJTKRLQFSA-N 1 1 285.391 3.118 20 30 CGEDMO CCn1c2ccccc2[nH+]c1NCC(C)(C)CCC#N ZINC000603432114 348083885 /nfs/dbraw/zinc/08/38/85/348083885.db2.gz JFUUCKFYTFHDMF-UHFFFAOYSA-N 1 1 270.380 3.220 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)c1 ZINC000603834973 348097533 /nfs/dbraw/zinc/09/75/33/348097533.db2.gz ZXCSLXHTETZTBV-AWEZNQCLSA-N 1 1 298.308 3.102 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)c1 ZINC000603834973 348097536 /nfs/dbraw/zinc/09/75/36/348097536.db2.gz ZXCSLXHTETZTBV-AWEZNQCLSA-N 1 1 298.308 3.102 20 30 CGEDMO C=CCCC[N@@H+](C)CCCOc1ccc2c(c1)OCO2 ZINC000605740677 348167053 /nfs/dbraw/zinc/16/70/53/348167053.db2.gz KWVNSKSICXMRMH-UHFFFAOYSA-N 1 1 277.364 3.082 20 30 CGEDMO C=CCC[N@@H+]1CCCN(Cc2ccccc2C)CC1 ZINC000606895961 348204782 /nfs/dbraw/zinc/20/47/82/348204782.db2.gz KSHLUWPMVZFEMB-UHFFFAOYSA-N 1 1 258.409 3.079 20 30 CGEDMO C=CCCN1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000606895961 348204784 /nfs/dbraw/zinc/20/47/84/348204784.db2.gz KSHLUWPMVZFEMB-UHFFFAOYSA-N 1 1 258.409 3.079 20 30 CGEDMO C=CCCN1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000606895961 348204788 /nfs/dbraw/zinc/20/47/88/348204788.db2.gz KSHLUWPMVZFEMB-UHFFFAOYSA-N 1 1 258.409 3.079 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc(-c2ccc(OC)cc2)no1 ZINC000606898070 348206000 /nfs/dbraw/zinc/20/60/00/348206000.db2.gz CWWFAAQUCKMNSJ-UHFFFAOYSA-N 1 1 272.348 3.358 20 30 CGEDMO C=CCCCCC[N@H+](C)CC(=O)NCc1ccccc1F ZINC000606902592 348206832 /nfs/dbraw/zinc/20/68/32/348206832.db2.gz BDHGUKYREIKYPI-UHFFFAOYSA-N 1 1 292.398 3.120 20 30 CGEDMO C=CCCCCCN(C)C(=O)NC[C@@H]1CC[N@H+](CCC)C1 ZINC000606943046 348211268 /nfs/dbraw/zinc/21/12/68/348211268.db2.gz FFKBMQTUUXJAQA-INIZCTEOSA-N 1 1 295.471 3.106 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)ccn1 ZINC000610992997 348415580 /nfs/dbraw/zinc/41/55/80/348415580.db2.gz ZACXRFAMFBNQQL-AWEZNQCLSA-N 1 1 281.334 3.082 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCCc3sccc3C2)o1 ZINC000611271103 348434494 /nfs/dbraw/zinc/43/44/94/348434494.db2.gz BNWBLCUYPLWMKF-UHFFFAOYSA-N 1 1 258.346 3.161 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCc3sccc3C2)o1 ZINC000611271103 348434498 /nfs/dbraw/zinc/43/44/98/348434498.db2.gz BNWBLCUYPLWMKF-UHFFFAOYSA-N 1 1 258.346 3.161 20 30 CGEDMO CC[N@H+]1CCN(Cc2ccccc2C(C)(C)C#N)C[C@@H]1C ZINC000611091893 348422280 /nfs/dbraw/zinc/42/22/80/348422280.db2.gz BYXDUGABJSUJHL-HNNXBMFYSA-N 1 1 285.435 3.014 20 30 CGEDMO CCN1CC[N@H+](Cc2ccccc2C(C)(C)C#N)C[C@@H]1C ZINC000611091893 348422281 /nfs/dbraw/zinc/42/22/81/348422281.db2.gz BYXDUGABJSUJHL-HNNXBMFYSA-N 1 1 285.435 3.014 20 30 CGEDMO CCN1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@@H]1C ZINC000611091893 348422283 /nfs/dbraw/zinc/42/22/83/348422283.db2.gz BYXDUGABJSUJHL-HNNXBMFYSA-N 1 1 285.435 3.014 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCc3ccc(O)cc3CC2)c1F ZINC000611372555 348441687 /nfs/dbraw/zinc/44/16/87/348441687.db2.gz WVLFUEIPEGAMOJ-UHFFFAOYSA-N 1 1 296.345 3.004 20 30 CGEDMO CC[C@@H]([NH2+]Cc1ccnc(C#N)c1)c1cc(F)ccc1F ZINC000611396413 348446510 /nfs/dbraw/zinc/44/65/10/348446510.db2.gz GVIAEVKQDJYPNT-MRXNPFEDSA-N 1 1 287.313 3.472 20 30 CGEDMO C[C@@H](NCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc(C#N)c1 ZINC000611438137 348451997 /nfs/dbraw/zinc/45/19/97/348451997.db2.gz VMKXKJOCTYTUMW-BZUAXINKSA-N 1 1 285.435 3.187 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(CC#N)cc2)C(C)(C)CO1 ZINC000612077836 348490762 /nfs/dbraw/zinc/49/07/62/348490762.db2.gz SNLRBXUMPHGNGH-UHFFFAOYSA-N 1 1 272.392 3.142 20 30 CGEDMO Cc1ccnc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1C#N ZINC000273391581 192136549 /nfs/dbraw/zinc/13/65/49/192136549.db2.gz UYPOTLJVGXFWBZ-SJORKVTESA-N 1 1 292.386 3.119 20 30 CGEDMO CCc1cccc(OCC[N@@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000612164128 348498279 /nfs/dbraw/zinc/49/82/79/348498279.db2.gz ZXHPPJIHPSSGSZ-KRWDZBQOSA-N 1 1 272.392 3.253 20 30 CGEDMO CCc1cccc(OCC[N@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000612164128 348498280 /nfs/dbraw/zinc/49/82/80/348498280.db2.gz ZXHPPJIHPSSGSZ-KRWDZBQOSA-N 1 1 272.392 3.253 20 30 CGEDMO C[C@]1(C#N)CCC[N@H+](CCN2CCCc3ccccc32)C1 ZINC000612162801 348498439 /nfs/dbraw/zinc/49/84/39/348498439.db2.gz MSNVMYWMCFIYTK-GOSISDBHSA-N 1 1 283.419 3.065 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](CCN2CCCc3ccccc32)C1 ZINC000612162801 348498441 /nfs/dbraw/zinc/49/84/41/348498441.db2.gz MSNVMYWMCFIYTK-GOSISDBHSA-N 1 1 283.419 3.065 20 30 CGEDMO CC[C@@H]1CCC[C@@H](C[N@H+](CCC#N)CCOC)C1 ZINC000612399124 348515938 /nfs/dbraw/zinc/51/59/38/348515938.db2.gz MDFADPITQVORAO-HUUCEWRRSA-N 1 1 252.402 3.065 20 30 CGEDMO CC[N@H+](Cc1ccc(Cl)cc1C#N)C[C@H]1CCOC1 ZINC000614160958 348653303 /nfs/dbraw/zinc/65/33/03/348653303.db2.gz ZHILVKWNBMRWJN-GFCCVEGCSA-N 1 1 278.783 3.070 20 30 CGEDMO CO[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614164687 348653414 /nfs/dbraw/zinc/65/34/14/348653414.db2.gz PZRYWPZVJZSQCJ-MRXNPFEDSA-N 1 1 272.392 3.099 20 30 CGEDMO C[C@@H]1[C@H](C)N(Cc2ccc(C(C)(C)C#N)cc2)CC[N@@H+]1C ZINC000614176819 348654989 /nfs/dbraw/zinc/65/49/89/348654989.db2.gz LXMAESKHZOFSRZ-CABCVRRESA-N 1 1 285.435 3.012 20 30 CGEDMO C[C@@H]1[C@H](C)[N@H+](Cc2ccc(C(C)(C)C#N)cc2)CCN1C ZINC000614176819 348654992 /nfs/dbraw/zinc/65/49/92/348654992.db2.gz LXMAESKHZOFSRZ-CABCVRRESA-N 1 1 285.435 3.012 20 30 CGEDMO C[C@@H]1[C@H](C)[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CCN1C ZINC000614176819 348654995 /nfs/dbraw/zinc/65/49/95/348654995.db2.gz LXMAESKHZOFSRZ-CABCVRRESA-N 1 1 285.435 3.012 20 30 CGEDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176750 348655440 /nfs/dbraw/zinc/65/54/40/348655440.db2.gz CBPAWUGCLRFQQO-GJZGRUSLSA-N 1 1 285.435 3.012 20 30 CGEDMO C[C@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)[C@@H](C)CN1C ZINC000614176750 348655442 /nfs/dbraw/zinc/65/54/42/348655442.db2.gz CBPAWUGCLRFQQO-GJZGRUSLSA-N 1 1 285.435 3.012 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)[C@@H](C)CN1C ZINC000614176750 348655443 /nfs/dbraw/zinc/65/54/43/348655443.db2.gz CBPAWUGCLRFQQO-GJZGRUSLSA-N 1 1 285.435 3.012 20 30 CGEDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176822 348655535 /nfs/dbraw/zinc/65/55/35/348655535.db2.gz LXMAESKHZOFSRZ-LSDHHAIUSA-N 1 1 285.435 3.012 20 30 CGEDMO C[C@@H]1[C@H](C)N(C)CC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176822 348655536 /nfs/dbraw/zinc/65/55/36/348655536.db2.gz LXMAESKHZOFSRZ-LSDHHAIUSA-N 1 1 285.435 3.012 20 30 CGEDMO C[C@@H]1[C@H](C)N(C)CC[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176822 348655538 /nfs/dbraw/zinc/65/55/38/348655538.db2.gz LXMAESKHZOFSRZ-LSDHHAIUSA-N 1 1 285.435 3.012 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000614962868 348703037 /nfs/dbraw/zinc/70/30/37/348703037.db2.gz KBKCFMGMLPXXAO-YOEHRIQHSA-N 1 1 280.375 3.153 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCc2ccc(O)cc2CC1 ZINC000614963201 348703564 /nfs/dbraw/zinc/70/35/64/348703564.db2.gz QOLWEXUNZLOURP-CQSZACIVSA-N 1 1 292.382 3.426 20 30 CGEDMO Cn1cc([C@H]([NH2+]Cc2ccccc2C#N)C(C)(C)C)cn1 ZINC000339503020 215215743 /nfs/dbraw/zinc/21/57/43/215215743.db2.gz XIQNHGGOHDCHTC-INIZCTEOSA-N 1 1 282.391 3.169 20 30 CGEDMO Cc1cnc(C2CC[NH+](Cc3ccnc(C#N)c3)CC2)s1 ZINC000617908111 349022878 /nfs/dbraw/zinc/02/28/78/349022878.db2.gz ONIJMRWPBCWNHT-UHFFFAOYSA-N 1 1 298.415 3.098 20 30 CGEDMO CC[N@@H+](CCCCC(C)(C)C#N)C[C@H]1CCOC1 ZINC000618275891 349065154 /nfs/dbraw/zinc/06/51/54/349065154.db2.gz LIZOIBFGWNTKRQ-CQSZACIVSA-N 1 1 252.402 3.065 20 30 CGEDMO COc1ccccc1[C@@H]1CC[N@@H+](C[C@H](C)CCC#N)C1 ZINC000618888223 349176284 /nfs/dbraw/zinc/17/62/84/349176284.db2.gz OKFIPYQSNOKSIT-HUUCEWRRSA-N 1 1 272.392 3.424 20 30 CGEDMO N#Cc1ccc2c(c1)CC[C@@H]2NC1CC[NH+](CC2CC2)CC1 ZINC000618806691 349156865 /nfs/dbraw/zinc/15/68/65/349156865.db2.gz RPDGAQWBTKIRKL-IBGZPJMESA-N 1 1 295.430 3.010 20 30 CGEDMO Cc1nccnc1[C@H](C)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619754453 349281618 /nfs/dbraw/zinc/28/16/18/349281618.db2.gz AADYDGFMCJIEKZ-NSHDSACASA-N 1 1 286.766 3.161 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2cncc(OC)n2)CCCC1(C)C ZINC000625375305 350164815 /nfs/dbraw/zinc/16/48/15/350164815.db2.gz NMFMJSWBHQYPDD-AWEZNQCLSA-N 1 1 275.396 3.052 20 30 CGEDMO C=CC[C@H]1CC[N@H+](C[C@H](Cc2ccccc2)OC)C1 ZINC000625703870 350200475 /nfs/dbraw/zinc/20/04/75/350200475.db2.gz UUOWZHHJFKMDHA-IRXDYDNUSA-N 1 1 259.393 3.142 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2nc(-c3ccccc3C)no2)C1 ZINC000625699211 350197055 /nfs/dbraw/zinc/19/70/55/350197055.db2.gz BFWOFQOPWWMMFQ-CQSZACIVSA-N 1 1 283.375 3.443 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(Br)cn2)C1 ZINC000625701395 350198341 /nfs/dbraw/zinc/19/83/41/350198341.db2.gz QYJXUYOGYBBOBV-NSHDSACASA-N 1 1 281.197 3.242 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2nnc(C(C)C)s2)C1 ZINC000625700374 350198632 /nfs/dbraw/zinc/19/86/32/350198632.db2.gz BHIUVZUDWKWZBQ-NSHDSACASA-N 1 1 251.399 3.060 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2nnc(C(C)C)s2)C1 ZINC000625700374 350198637 /nfs/dbraw/zinc/19/86/37/350198637.db2.gz BHIUVZUDWKWZBQ-NSHDSACASA-N 1 1 251.399 3.060 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2F)C1 ZINC000625704391 350201003 /nfs/dbraw/zinc/20/10/03/350201003.db2.gz RVBJZGGPSFCPBM-CYBMUJFWSA-N 1 1 276.355 3.052 20 30 CGEDMO C=CCOCC[N@H+]([C@@H](C)COC)[C@H]1CCc2ccccc21 ZINC000626133220 350268111 /nfs/dbraw/zinc/26/81/11/350268111.db2.gz JPGSIKFWTMGBRP-YJBOKZPZSA-N 1 1 289.419 3.213 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(F)c(F)c1N(C)C ZINC000628247054 350464313 /nfs/dbraw/zinc/46/43/13/350464313.db2.gz MXSCIMWUGPLPNS-UHFFFAOYSA-N 1 1 254.324 3.039 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(O[C@H](C)COC)cc2)C1 ZINC000628406710 350529277 /nfs/dbraw/zinc/52/92/77/350529277.db2.gz PCNFWBMVEPTQPM-HZPDHXFCSA-N 1 1 289.419 3.498 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000628405932 350529452 /nfs/dbraw/zinc/52/94/52/350529452.db2.gz XYORBEPBAUNJOO-CYBMUJFWSA-N 1 1 261.365 3.102 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cn(C)nc2C(C)(C)C)C1 ZINC000628406739 350530097 /nfs/dbraw/zinc/53/00/97/350530097.db2.gz PTISSVRFVFHLRF-ZDUSSCGKSA-N 1 1 261.413 3.116 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000628405933 350530129 /nfs/dbraw/zinc/53/01/29/350530129.db2.gz XYORBEPBAUNJOO-ZDUSSCGKSA-N 1 1 261.365 3.102 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000628407118 350530630 /nfs/dbraw/zinc/53/06/30/350530630.db2.gz ZDXYGOSOKUGDMG-CRAIPNDOSA-N 1 1 287.403 3.252 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H](NC(=O)CCC)C1 ZINC000740875979 571890910 /nfs/dbraw/zinc/89/09/10/571890910.db2.gz KSGKBDZJVPSTFF-OAHLLOKOSA-N 1 1 268.445 3.338 20 30 CGEDMO C=CC[C@@H]1N(C(=O)C[N@H+](C)C2CCC2)CCCC1(C)C ZINC000629987504 350795350 /nfs/dbraw/zinc/79/53/50/350795350.db2.gz NHXJLFPOULFKDF-HNNXBMFYSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[C@@H](Cc1ccccc1)n1cc(C[NH+](CC)CC)nn1 ZINC000630592169 350857288 /nfs/dbraw/zinc/85/72/88/350857288.db2.gz KKOAATCQVLKMOZ-SFHVURJKSA-N 1 1 298.434 3.480 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000630806964 350890923 /nfs/dbraw/zinc/89/09/23/350890923.db2.gz CKFPJWHOYPHCKO-RDJZCZTQSA-N 1 1 298.430 3.294 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000631769014 351139509 /nfs/dbraw/zinc/13/95/09/351139509.db2.gz HDUQOLAXTBKTHF-DOTOQJQBSA-N 1 1 298.430 3.122 20 30 CGEDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000124185926 187125733 /nfs/dbraw/zinc/12/57/33/187125733.db2.gz UFYKRHPTIUGULG-XJKSGUPXSA-N 1 1 290.382 3.213 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2c2cccnc2)c1F ZINC000336462022 213329769 /nfs/dbraw/zinc/32/97/69/213329769.db2.gz DSNKHHKUYJCYNE-MRXNPFEDSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]2c2cccnc2)c1F ZINC000336462022 213329771 /nfs/dbraw/zinc/32/97/71/213329771.db2.gz DSNKHHKUYJCYNE-MRXNPFEDSA-N 1 1 281.334 3.429 20 30 CGEDMO C=C(C)CN1CCC([NH2+][C@@H](C)c2ccc(C)o2)CC1 ZINC000153044185 188061200 /nfs/dbraw/zinc/06/12/00/188061200.db2.gz ZNWMGAHTIYWRHV-AWEZNQCLSA-N 1 1 262.397 3.279 20 30 CGEDMO N#Cc1ccc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)o1 ZINC000154258507 188131368 /nfs/dbraw/zinc/13/13/68/188131368.db2.gz FQEOFRFFSRVUDW-UHFFFAOYSA-N 1 1 297.314 3.224 20 30 CGEDMO N#Cc1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)o1 ZINC000154258507 188131369 /nfs/dbraw/zinc/13/13/69/188131369.db2.gz FQEOFRFFSRVUDW-UHFFFAOYSA-N 1 1 297.314 3.224 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(OCc2ccncc2)c(OC)c1 ZINC000154758960 188159897 /nfs/dbraw/zinc/15/98/97/188159897.db2.gz JVIAZTUTXWXYSI-UHFFFAOYSA-N 1 1 298.386 3.287 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)Nc1cc(F)ccc1F ZINC000155136573 188186086 /nfs/dbraw/zinc/18/60/86/188186086.db2.gz ACLZNPCDIDFSCV-LLVKDONJSA-N 1 1 282.334 3.190 20 30 CGEDMO CSC[C@H]1CCC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000292460426 198296221 /nfs/dbraw/zinc/29/62/21/198296221.db2.gz QJYPWDCZMDWHOS-AWEZNQCLSA-N 1 1 290.432 3.012 20 30 CGEDMO C[N@H+](CC#Cc1cccc(Cl)c1)CCC1CCOCC1 ZINC000156853877 188284693 /nfs/dbraw/zinc/28/46/93/188284693.db2.gz FFHBMMPICHPPCE-UHFFFAOYSA-N 1 1 291.822 3.440 20 30 CGEDMO N#CCCC[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000157552696 188323483 /nfs/dbraw/zinc/32/34/83/188323483.db2.gz IHBLFFWJDRGWSO-AWEZNQCLSA-N 1 1 274.339 3.024 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](O)C12CCCC2 ZINC000292564094 198334273 /nfs/dbraw/zinc/33/42/73/198334273.db2.gz BFLFXTDDCBEQIK-HNNXBMFYSA-N 1 1 290.794 3.091 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000292564094 198334274 /nfs/dbraw/zinc/33/42/74/198334274.db2.gz BFLFXTDDCBEQIK-HNNXBMFYSA-N 1 1 290.794 3.091 20 30 CGEDMO C[N@H+](CCC(C)(C)C#N)Cc1ccc(Br)o1 ZINC000157668925 188331630 /nfs/dbraw/zinc/33/16/30/188331630.db2.gz GQAUJEMMCIKEPQ-UHFFFAOYSA-N 1 1 285.185 3.414 20 30 CGEDMO C[N@@H+](CCC(C)(C)C#N)Cc1ccc(Br)o1 ZINC000157668925 188331631 /nfs/dbraw/zinc/33/16/31/188331631.db2.gz GQAUJEMMCIKEPQ-UHFFFAOYSA-N 1 1 285.185 3.414 20 30 CGEDMO CCC[N@H+](CC)CCN[C@@H](CC)c1ccc(C#N)cc1 ZINC000447564125 283172698 /nfs/dbraw/zinc/17/26/98/283172698.db2.gz VCLRLWNNHYZSBM-KRWDZBQOSA-N 1 1 273.424 3.331 20 30 CGEDMO CCC[N@@H+](CC)CCN[C@@H](CC)c1ccc(C#N)cc1 ZINC000447564125 283172701 /nfs/dbraw/zinc/17/27/01/283172701.db2.gz VCLRLWNNHYZSBM-KRWDZBQOSA-N 1 1 273.424 3.331 20 30 CGEDMO N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CC[N@@H+](C3CCCC3)C1)CC2 ZINC000353389018 283197479 /nfs/dbraw/zinc/19/74/79/283197479.db2.gz QXAVQCQSVUUZIE-APWZRJJASA-N 1 1 295.430 3.152 20 30 CGEDMO N#Cc1ccc2c(c1)[C@@H](N[C@@H]1CC[N@H+](C3CCCC3)C1)CC2 ZINC000353389018 283197481 /nfs/dbraw/zinc/19/74/81/283197481.db2.gz QXAVQCQSVUUZIE-APWZRJJASA-N 1 1 295.430 3.152 20 30 CGEDMO N#Cc1ccccc1-c1ccc(C[N@H+]2CCCOCC2)cc1 ZINC000374026734 283213704 /nfs/dbraw/zinc/21/37/04/283213704.db2.gz IOSYJPMVNSNEKN-UHFFFAOYSA-N 1 1 292.382 3.448 20 30 CGEDMO COCC[N@@H+](Cc1ccsc1)Cc1ccc(C#N)cc1 ZINC000125736339 138383947 /nfs/dbraw/zinc/38/39/47/138383947.db2.gz KLGCFLNIVJFZLD-UHFFFAOYSA-N 1 1 286.400 3.268 20 30 CGEDMO CC[C@H]1CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000128835271 138395033 /nfs/dbraw/zinc/39/50/33/138395033.db2.gz XMDXVSAAFKYFKA-AWEZNQCLSA-N 1 1 282.391 3.218 20 30 CGEDMO N#Cc1csc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)n1 ZINC000418144397 283247808 /nfs/dbraw/zinc/24/78/08/283247808.db2.gz KLDXZPLALBCEIY-OAHLLOKOSA-N 1 1 294.383 3.054 20 30 CGEDMO N#Cc1csc(C[NH2+][C@@H]2C[C@@]2(F)c2ccccc2)c1 ZINC000424190286 236131427 /nfs/dbraw/zinc/13/14/27/236131427.db2.gz FTFMMTAJSJEOKK-HUUCEWRRSA-N 1 1 272.348 3.347 20 30 CGEDMO COCCSCCC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425536070 236257568 /nfs/dbraw/zinc/25/75/68/236257568.db2.gz ODALRLOYZBHPQY-CQSZACIVSA-N 1 1 292.448 3.321 20 30 CGEDMO COc1ncccc1C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425535175 236257960 /nfs/dbraw/zinc/25/79/60/236257960.db2.gz MZIVDIQQVHVRSE-CYBMUJFWSA-N 1 1 281.359 3.155 20 30 CGEDMO COc1ncccc1C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425535175 236257962 /nfs/dbraw/zinc/25/79/62/236257962.db2.gz MZIVDIQQVHVRSE-CYBMUJFWSA-N 1 1 281.359 3.155 20 30 CGEDMO COc1ccncc1C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425536802 236258262 /nfs/dbraw/zinc/25/82/62/236258262.db2.gz PHZDDZNNXKVTRS-CYBMUJFWSA-N 1 1 281.359 3.155 20 30 CGEDMO COc1ccncc1C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425536802 236258264 /nfs/dbraw/zinc/25/82/64/236258264.db2.gz PHZDDZNNXKVTRS-CYBMUJFWSA-N 1 1 281.359 3.155 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H]1C1CCC1 ZINC000428211331 236377940 /nfs/dbraw/zinc/37/79/40/236377940.db2.gz WXXRRFSQGLSKIC-INIZCTEOSA-N 1 1 258.340 3.462 20 30 CGEDMO N#Cc1c(F)cccc1C[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000428382619 236398866 /nfs/dbraw/zinc/39/88/66/236398866.db2.gz JWCUDOOEEXYDSV-INIZCTEOSA-N 1 1 295.361 3.384 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000428382619 236398868 /nfs/dbraw/zinc/39/88/68/236398868.db2.gz JWCUDOOEEXYDSV-INIZCTEOSA-N 1 1 295.361 3.384 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437155825 237254695 /nfs/dbraw/zinc/25/46/95/237254695.db2.gz XNHMXWUMYIHFQD-JTQLQIEISA-N 1 1 266.291 3.001 20 30 CGEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2cc(C#N)ccn2)C1 ZINC000341825216 216118676 /nfs/dbraw/zinc/11/86/76/216118676.db2.gz PUOUSBUHYAFWCC-YOEHRIQHSA-N 1 1 292.386 3.201 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)c(Cl)c1 ZINC000342026765 216192910 /nfs/dbraw/zinc/19/29/10/216192910.db2.gz VGFITIDYFWPXBT-JKSUJKDBSA-N 1 1 290.794 3.355 20 30 CGEDMO CSC[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000178569403 189127404 /nfs/dbraw/zinc/12/74/04/189127404.db2.gz DVRYXSNSHJMIER-CYBMUJFWSA-N 1 1 264.369 3.025 20 30 CGEDMO CO[C@H]1C[C@@H]([N@H+](C)Cc2cccc(F)c2C#N)C12CCC2 ZINC000451832139 240367462 /nfs/dbraw/zinc/36/74/62/240367462.db2.gz GOSTYLMKLVDJGJ-CVEARBPZSA-N 1 1 288.366 3.087 20 30 CGEDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(F)c2C#N)C12CCC2 ZINC000451832139 240367465 /nfs/dbraw/zinc/36/74/65/240367465.db2.gz GOSTYLMKLVDJGJ-CVEARBPZSA-N 1 1 288.366 3.087 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000179653209 189210081 /nfs/dbraw/zinc/21/00/81/189210081.db2.gz LONXJBOCTITTBL-CYBMUJFWSA-N 1 1 298.308 3.341 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000179653209 189210082 /nfs/dbraw/zinc/21/00/82/189210082.db2.gz LONXJBOCTITTBL-CYBMUJFWSA-N 1 1 298.308 3.341 20 30 CGEDMO CC(C)C[N@H+]1CC[C@H](CNc2ccc(C#N)cc2F)C1 ZINC000301610966 201094808 /nfs/dbraw/zinc/09/48/08/201094808.db2.gz QYFKGPDWNGJQJH-CQSZACIVSA-N 1 1 275.371 3.087 20 30 CGEDMO CC(=O)c1ccc(C#N)c(NC[C@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000302123763 201350777 /nfs/dbraw/zinc/35/07/77/201350777.db2.gz VLXKXFOPBSOUIV-OAHLLOKOSA-N 1 1 299.418 3.151 20 30 CGEDMO Cc1cccc([C@@H]2CCC[N@H+]2CCC(C)(C)C#N)n1 ZINC000119994383 370730664 /nfs/dbraw/zinc/73/06/64/370730664.db2.gz YVHXKUDYMDENOU-HNNXBMFYSA-N 1 1 257.381 3.467 20 30 CGEDMO C[N@@H+](Cc1ccc2c(c1)OCO2)CC(C)(C)CCC#N ZINC000120074655 370736239 /nfs/dbraw/zinc/73/62/39/370736239.db2.gz PPEBNLJERDXNOR-UHFFFAOYSA-N 1 1 274.364 3.177 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000451983532 240391103 /nfs/dbraw/zinc/39/11/03/240391103.db2.gz UYNHIDKLFMZMBC-INIZCTEOSA-N 1 1 290.407 3.416 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000451983532 240391107 /nfs/dbraw/zinc/39/11/07/240391107.db2.gz UYNHIDKLFMZMBC-INIZCTEOSA-N 1 1 290.407 3.416 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(F)cc1F ZINC000121125943 370831871 /nfs/dbraw/zinc/83/18/71/370831871.db2.gz KTWAMROPMAHMRJ-NSHDSACASA-N 1 1 282.334 3.190 20 30 CGEDMO C=CC[N@@H+](C)CCCC(=O)Nc1c(C)cccc1C ZINC000121336834 370852888 /nfs/dbraw/zinc/85/28/88/370852888.db2.gz HYHSQSMAKHHZDJ-UHFFFAOYSA-N 1 1 260.381 3.140 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000121237274 370842585 /nfs/dbraw/zinc/84/25/85/370842585.db2.gz USNUBVGJVAUQDE-QWHCGFSZSA-N 1 1 251.395 3.212 20 30 CGEDMO CCOC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)s1 ZINC000459678169 242175303 /nfs/dbraw/zinc/17/53/03/242175303.db2.gz RGCZLGZOYINIMC-LBPRGKRZSA-N 1 1 264.394 3.011 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000121450996 370862598 /nfs/dbraw/zinc/86/25/98/370862598.db2.gz AMPNARBACYOAGF-QGZVFWFLSA-N 1 1 275.367 3.242 20 30 CGEDMO C=CC[N@@H+](C)[C@H](C)C(=O)Nc1c(C)cc(C)cc1Cl ZINC000121487019 370865135 /nfs/dbraw/zinc/86/51/35/370865135.db2.gz ZLPQWVIUJCZGJP-GFCCVEGCSA-N 1 1 280.799 3.402 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)C(=O)Nc1c(C)cc(C)cc1Cl ZINC000121487019 370865139 /nfs/dbraw/zinc/86/51/39/370865139.db2.gz ZLPQWVIUJCZGJP-GFCCVEGCSA-N 1 1 280.799 3.402 20 30 CGEDMO C=CC[N@@H+](C)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000121580175 370876018 /nfs/dbraw/zinc/87/60/18/370876018.db2.gz CWEUOXLRGZKFSX-UHFFFAOYSA-N 1 1 277.755 3.050 20 30 CGEDMO CCC[C@@H](C)[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000486798016 243373633 /nfs/dbraw/zinc/37/36/33/243373633.db2.gz FLCQYQHJHUARKM-RHSMWYFYSA-N 1 1 299.418 3.397 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000123590870 370913200 /nfs/dbraw/zinc/91/32/00/370913200.db2.gz MZHVDFHSIPCPAT-IAGOWNOFSA-N 1 1 259.393 3.459 20 30 CGEDMO C=C(C)C[NH+]1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000125510056 370937404 /nfs/dbraw/zinc/93/74/04/370937404.db2.gz RFONZJWODBGGSQ-UHFFFAOYSA-N 1 1 273.302 3.184 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](CC)Cc1c(F)cccc1F ZINC000126266095 370944315 /nfs/dbraw/zinc/94/43/15/370944315.db2.gz GRGJOGDCDSFCJB-LBPRGKRZSA-N 1 1 269.335 3.114 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](CC)Cc1c(F)cccc1F ZINC000126266095 370944317 /nfs/dbraw/zinc/94/43/17/370944317.db2.gz GRGJOGDCDSFCJB-LBPRGKRZSA-N 1 1 269.335 3.114 20 30 CGEDMO CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000030144610 368900847 /nfs/dbraw/zinc/90/08/47/368900847.db2.gz YWBNNOUZVHLDDB-CQSZACIVSA-N 1 1 285.391 3.009 20 30 CGEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCOc1ccccc1C#N ZINC000034674270 368976527 /nfs/dbraw/zinc/97/65/27/368976527.db2.gz MKFGDCGNCTXIRS-OKILXGFUSA-N 1 1 258.365 3.200 20 30 CGEDMO CC[C@@H]1CCC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000036169519 369012851 /nfs/dbraw/zinc/01/28/51/369012851.db2.gz HEYYLHFGHUIJHL-CQSZACIVSA-N 1 1 258.365 3.059 20 30 CGEDMO CCC[C@H](C)[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000036790561 369029230 /nfs/dbraw/zinc/02/92/30/369029230.db2.gz CYKPOIHNKCEYHK-AWEZNQCLSA-N 1 1 260.381 3.448 20 30 CGEDMO CCCN1CCC([NH2+][C@H](C)c2cccc(C#N)c2)CC1 ZINC000037236965 369078283 /nfs/dbraw/zinc/07/82/83/369078283.db2.gz RCUDEBWCTJLWIG-CQSZACIVSA-N 1 1 271.408 3.083 20 30 CGEDMO CC(C)C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000042556984 369226059 /nfs/dbraw/zinc/22/60/59/369226059.db2.gz LBONNQDPHYPRFL-UHFFFAOYSA-N 1 1 285.391 3.007 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1cccc(F)c1F ZINC000046518345 369295082 /nfs/dbraw/zinc/29/50/82/369295082.db2.gz XXARBOJSLLIUPV-UHFFFAOYSA-N 1 1 272.298 3.468 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(F)c1F ZINC000046518345 369295087 /nfs/dbraw/zinc/29/50/87/369295087.db2.gz XXARBOJSLLIUPV-UHFFFAOYSA-N 1 1 272.298 3.468 20 30 CGEDMO C[N@@H+](C/C=C\c1ccncc1)Cc1ccc(C#N)cc1 ZINC000495099764 244357284 /nfs/dbraw/zinc/35/72/84/244357284.db2.gz RZYBYUPKLDGKEW-IHWYPQMZSA-N 1 1 263.344 3.098 20 30 CGEDMO C[N@@H+](C/C=C/c1ccncc1)Cc1ccc(C#N)cc1 ZINC000495099765 244357663 /nfs/dbraw/zinc/35/76/63/244357663.db2.gz RZYBYUPKLDGKEW-NSCUHMNNSA-N 1 1 263.344 3.098 20 30 CGEDMO CCCC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000048993578 369381524 /nfs/dbraw/zinc/38/15/24/369381524.db2.gz AANDXRZQHAUOFT-UHFFFAOYSA-N 1 1 285.391 3.151 20 30 CGEDMO CC[N@H+](CCCC(=O)c1ccc(F)cc1)C[C@H](C)C#N ZINC000050153283 369430904 /nfs/dbraw/zinc/43/09/04/369430904.db2.gz XJAXXBGPLUJXCZ-CYBMUJFWSA-N 1 1 276.355 3.270 20 30 CGEDMO CC[N@@H+](CCCC(=O)c1ccc(F)cc1)C[C@H](C)C#N ZINC000050153283 369430907 /nfs/dbraw/zinc/43/09/07/369430907.db2.gz XJAXXBGPLUJXCZ-CYBMUJFWSA-N 1 1 276.355 3.270 20 30 CGEDMO CC[N@H+]1CCCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000127561722 370953164 /nfs/dbraw/zinc/95/31/64/370953164.db2.gz NJBPHPRPBSEMHX-UHFFFAOYSA-N 1 1 285.435 3.015 20 30 CGEDMO CCN1CCC[N@H+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000127561722 370953169 /nfs/dbraw/zinc/95/31/69/370953169.db2.gz NJBPHPRPBSEMHX-UHFFFAOYSA-N 1 1 285.435 3.015 20 30 CGEDMO CCN1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000127561722 370953172 /nfs/dbraw/zinc/95/31/72/370953172.db2.gz NJBPHPRPBSEMHX-UHFFFAOYSA-N 1 1 285.435 3.015 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cccc(OC)c1)C[C@H]1CCCO1 ZINC000068253977 369740628 /nfs/dbraw/zinc/74/06/28/369740628.db2.gz WOEYLNZXKNVZDT-QGZVFWFLSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CCOc1ccc(C[NH2+]Cc2cn3ccccc3n2)cc1 ZINC000072726614 369834798 /nfs/dbraw/zinc/83/47/98/369834798.db2.gz ZSPVJLHKECEIFX-UHFFFAOYSA-N 1 1 293.370 3.189 20 30 CGEDMO C[C@H](C[N@@H+](C)Cc1cc(C#N)n(C)c1)c1ccccc1 ZINC000276804431 193464921 /nfs/dbraw/zinc/46/49/21/193464921.db2.gz WJKFQPRTBWIPPB-CQSZACIVSA-N 1 1 267.376 3.132 20 30 CGEDMO CC[C@H](C)C[N@@H+](CC)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000093250933 370113822 /nfs/dbraw/zinc/11/38/22/370113822.db2.gz BORTWEBTDIHPII-KBPBESRZSA-N 1 1 287.407 3.253 20 30 CGEDMO C[C@H]1C[C@H](N[C@@H](CCC#N)c2ccccc2)C[N@@H+]1C1CC1 ZINC000090665832 370063724 /nfs/dbraw/zinc/06/37/24/370063724.db2.gz HKYXBIGXNVAWJD-ZVZYQTTQSA-N 1 1 283.419 3.246 20 30 CGEDMO C[C@H]1C[C@H](N[C@@H](CCC#N)c2ccccc2)C[N@H+]1C1CC1 ZINC000090665832 370063728 /nfs/dbraw/zinc/06/37/28/370063728.db2.gz HKYXBIGXNVAWJD-ZVZYQTTQSA-N 1 1 283.419 3.246 20 30 CGEDMO COc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)cc(OC)c1 ZINC000098142472 370266419 /nfs/dbraw/zinc/26/64/19/370266419.db2.gz HJSYVWAFLFACSI-UHFFFAOYSA-N 1 1 296.370 3.207 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000102401338 370304347 /nfs/dbraw/zinc/30/43/47/370304347.db2.gz PHBHFKOUQOHSMV-ZDUSSCGKSA-N 1 1 287.338 3.241 20 30 CGEDMO COc1c(C)cc(C[N@H+](C)C[C@H](C#N)CCC#N)cc1C ZINC000112560205 370434590 /nfs/dbraw/zinc/43/45/90/370434590.db2.gz GHLHHAOSUUQRSO-HNNXBMFYSA-N 1 1 285.391 3.187 20 30 CGEDMO COc1c(C)cc(C[N@@H+](C)C[C@H](C#N)CCC#N)cc1C ZINC000112560205 370434592 /nfs/dbraw/zinc/43/45/92/370434592.db2.gz GHLHHAOSUUQRSO-HNNXBMFYSA-N 1 1 285.391 3.187 20 30 CGEDMO CN(C)CC[C@H]([NH2+]Cc1cccc(C#N)c1)C(C)(C)C ZINC000116378685 370558567 /nfs/dbraw/zinc/55/85/67/370558567.db2.gz NHBIENRBGMQBCG-INIZCTEOSA-N 1 1 273.424 3.014 20 30 CGEDMO C[NH+](C)CC[C@H](NCc1cccc(C#N)c1)C(C)(C)C ZINC000116378685 370558570 /nfs/dbraw/zinc/55/85/70/370558570.db2.gz NHBIENRBGMQBCG-INIZCTEOSA-N 1 1 273.424 3.014 20 30 CGEDMO CSCC[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000219526435 376201851 /nfs/dbraw/zinc/20/18/51/376201851.db2.gz QHHGLHNIJQJFHK-LLVKDONJSA-N 1 1 266.385 3.271 20 30 CGEDMO CC[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2OC)C1 ZINC000130406964 371032043 /nfs/dbraw/zinc/03/20/43/371032043.db2.gz AOJNYQZTQIAWPT-ZDUSSCGKSA-N 1 1 258.365 3.189 20 30 CGEDMO CCCn1nc(C)c(C[N@H+](C)Cc2cccc(C#N)c2)c1C ZINC000130745058 371056688 /nfs/dbraw/zinc/05/66/88/371056688.db2.gz NDMYPMQXPRLRDR-UHFFFAOYSA-N 1 1 296.418 3.414 20 30 CGEDMO CCCn1nc(C)c(C[N@@H+](C)Cc2cccc(C#N)c2)c1C ZINC000130745058 371056692 /nfs/dbraw/zinc/05/66/92/371056692.db2.gz NDMYPMQXPRLRDR-UHFFFAOYSA-N 1 1 296.418 3.414 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)[C@@H]2CCOC2)cc1Cl ZINC000132025997 371146356 /nfs/dbraw/zinc/14/63/56/371146356.db2.gz IUJBDFOBQKRDDT-CYBMUJFWSA-N 1 1 281.783 3.126 20 30 CGEDMO COc1ccc(C[N@@H+]2CCc3ccsc3C2)cc1C#N ZINC000132815686 371204713 /nfs/dbraw/zinc/20/47/13/371204713.db2.gz QIFWPNUTRXLGLV-UHFFFAOYSA-N 1 1 284.384 3.187 20 30 CGEDMO COc1ccc(C[N@H+]2CCc3ccsc3C2)cc1C#N ZINC000132815686 371204718 /nfs/dbraw/zinc/20/47/18/371204718.db2.gz QIFWPNUTRXLGLV-UHFFFAOYSA-N 1 1 284.384 3.187 20 30 CGEDMO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000133470203 371253692 /nfs/dbraw/zinc/25/36/92/371253692.db2.gz JBATXTWGUOMLCI-RDJZCZTQSA-N 1 1 282.391 3.006 20 30 CGEDMO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000133470203 371253695 /nfs/dbraw/zinc/25/36/95/371253695.db2.gz JBATXTWGUOMLCI-RDJZCZTQSA-N 1 1 282.391 3.006 20 30 CGEDMO COc1ccc(C[NH2+][C@H](C)c2ncc(C)s2)cc1C#N ZINC000134910420 371373717 /nfs/dbraw/zinc/37/37/17/371373717.db2.gz RDDCZGIFFWFVCU-LLVKDONJSA-N 1 1 287.388 3.183 20 30 CGEDMO CC[C@@H](c1ccccc1)[N@@H+](CCCCC#N)CC(=O)OC ZINC000136114511 371461098 /nfs/dbraw/zinc/46/10/98/371461098.db2.gz BVDGRTFKNBNCOV-INIZCTEOSA-N 1 1 288.391 3.307 20 30 CGEDMO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)o2)o1 ZINC000137084508 371491640 /nfs/dbraw/zinc/49/16/40/371491640.db2.gz GLLWDGIPSNOTJH-HNNXBMFYSA-N 1 1 286.331 3.228 20 30 CGEDMO COCc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)o2)o1 ZINC000137084508 371491642 /nfs/dbraw/zinc/49/16/42/371491642.db2.gz GLLWDGIPSNOTJH-HNNXBMFYSA-N 1 1 286.331 3.228 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCCn2c(cc3ccccc32)C1 ZINC000286812907 371556403 /nfs/dbraw/zinc/55/64/03/371556403.db2.gz AHGYTPCHRMOBEJ-QGZVFWFLSA-N 1 1 284.403 3.174 20 30 CGEDMO CN(c1c(Cl)cccc1C#N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286498100 371510623 /nfs/dbraw/zinc/51/06/23/371510623.db2.gz WHAGINBHYHHEOD-PBWFPOADSA-N 1 1 289.810 3.273 20 30 CGEDMO C[C@H](NC[C@H](C)[N@@H+]1CCCC[C@H]1C)c1cccc(C#N)c1 ZINC000344033642 217019588 /nfs/dbraw/zinc/01/95/88/217019588.db2.gz LEUYXWMTFHYSCR-PMPSAXMXSA-N 1 1 285.435 3.472 20 30 CGEDMO C[C@H](NC[C@H](C)[N@H+]1CCCC[C@H]1C)c1cccc(C#N)c1 ZINC000344033642 217019591 /nfs/dbraw/zinc/01/95/91/217019591.db2.gz LEUYXWMTFHYSCR-PMPSAXMXSA-N 1 1 285.435 3.472 20 30 CGEDMO C=CC[NH+](CC=C)[C@H](CN[C@H](C)c1cncs1)C(C)C ZINC000152068103 371670054 /nfs/dbraw/zinc/67/00/54/371670054.db2.gz FPEWYWSYBGCTOW-HUUCEWRRSA-N 1 1 293.480 3.492 20 30 CGEDMO C[C@@H]1C[C@@H](Nc2cc(C#N)ccn2)C[N@H+]1Cc1ccccc1 ZINC000287981615 371723293 /nfs/dbraw/zinc/72/32/93/371723293.db2.gz UXHSTCCBFAMQHW-RHSMWYFYSA-N 1 1 292.386 3.028 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)C[C@@H]1CC=CCC1 ZINC000344069319 217038552 /nfs/dbraw/zinc/03/85/52/217038552.db2.gz RBDOURRNIPGCFU-OAHLLOKOSA-N 1 1 297.402 3.175 20 30 CGEDMO CC#CCC[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000155085487 371905301 /nfs/dbraw/zinc/90/53/01/371905301.db2.gz RCXPWQDNNNUOHE-UHFFFAOYSA-N 1 1 299.201 3.277 20 30 CGEDMO CC#CCC[N@@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000155085487 371905307 /nfs/dbraw/zinc/90/53/07/371905307.db2.gz RCXPWQDNNNUOHE-UHFFFAOYSA-N 1 1 299.201 3.277 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000155136696 371908517 /nfs/dbraw/zinc/90/85/17/371908517.db2.gz QDTQRYWBNMCPHN-ZDUSSCGKSA-N 1 1 294.826 3.243 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@H](C3CC3)C2)cc1C#N ZINC000344092280 217046107 /nfs/dbraw/zinc/04/61/07/217046107.db2.gz JXLOFKYPDLUVSH-HNNXBMFYSA-N 1 1 270.376 3.189 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccncc1 ZINC000157092525 372006288 /nfs/dbraw/zinc/00/62/88/372006288.db2.gz MWZBUBMUWWLITP-MSOLQXFVSA-N 1 1 277.371 3.353 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccncc1 ZINC000157092525 372006293 /nfs/dbraw/zinc/00/62/93/372006293.db2.gz MWZBUBMUWWLITP-MSOLQXFVSA-N 1 1 277.371 3.353 20 30 CGEDMO C[N@@H+](Cc1cc(F)ccc1C#N)C(C1CC1)C1CC1 ZINC000159034787 372100714 /nfs/dbraw/zinc/10/07/14/372100714.db2.gz FCVSFOPTDUHUHY-UHFFFAOYSA-N 1 1 258.340 3.318 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cccc(OC)c1OC ZINC000426556706 372164563 /nfs/dbraw/zinc/16/45/63/372164563.db2.gz OXZJFBACEPFORK-AWEZNQCLSA-N 1 1 261.365 3.244 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2cc(C)ncn2)CCCC1(C)C ZINC000292775203 372207563 /nfs/dbraw/zinc/20/75/63/372207563.db2.gz JBLIJWWVJAPSGG-OAHLLOKOSA-N 1 1 259.397 3.352 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@@H](CSC)C2)ccc1C#N ZINC000292826154 372219573 /nfs/dbraw/zinc/21/95/73/372219573.db2.gz QNZYNEPGFSZSHM-CQSZACIVSA-N 1 1 290.432 3.142 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@H]1c1nc2ccccc2n1CC ZINC000292848711 372225673 /nfs/dbraw/zinc/22/56/73/372225673.db2.gz QGNRTTVERSIGKF-KRWDZBQOSA-N 1 1 299.418 3.396 20 30 CGEDMO COc1cc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)ccc1C#N ZINC000292863811 372229066 /nfs/dbraw/zinc/22/90/66/372229066.db2.gz VOFIEUJWJARZOP-LSDHHAIUSA-N 1 1 292.329 3.044 20 30 CGEDMO N#Cc1ccc(C[NH2+]C2(c3ccc(F)cc3)CC2)o1 ZINC000344270064 217127510 /nfs/dbraw/zinc/12/75/10/217127510.db2.gz DYUOSCUWPPGXKX-UHFFFAOYSA-N 1 1 256.280 3.069 20 30 CGEDMO C=CC[N@H+](CCC1CCOCC1)Cc1ccc(OC)cc1 ZINC000292759733 372203439 /nfs/dbraw/zinc/20/34/39/372203439.db2.gz XLUYVYZIILHABT-UHFFFAOYSA-N 1 1 289.419 3.500 20 30 CGEDMO CC(C)[N@@H+](CC(=O)NC1(C#N)CCC1)[C@H](C)c1ccccc1 ZINC000428863415 372273983 /nfs/dbraw/zinc/27/39/83/372273983.db2.gz QALUGBCLLXAGBZ-OAHLLOKOSA-N 1 1 299.418 3.020 20 30 CGEDMO Cc1cc(C[N@H+]2CCOC[C@@H](C3CCC3)C2)ccc1C#N ZINC000429255126 372329555 /nfs/dbraw/zinc/32/95/55/372329555.db2.gz MAXMFIRNHAVGJP-SFHVURJKSA-N 1 1 284.403 3.115 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000429814230 372378936 /nfs/dbraw/zinc/37/89/36/372378936.db2.gz ZEUGQAWRTUZHEW-QLFBSQMISA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@H]1c1cccc(OC)c1 ZINC000293432752 372381292 /nfs/dbraw/zinc/38/12/92/372381292.db2.gz JLLKFFLUBSJFRQ-INIZCTEOSA-N 1 1 261.365 3.035 20 30 CGEDMO C[C@H](Nc1[nH+]c2ccc(F)cc2n1C)c1ccc(C#N)cc1 ZINC000431034447 372419894 /nfs/dbraw/zinc/41/98/94/372419894.db2.gz WXEWTBIBTYSZES-NSHDSACASA-N 1 1 294.333 3.179 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)CCC1CCOCC1 ZINC000432834776 372574474 /nfs/dbraw/zinc/57/44/74/372574474.db2.gz KSVUEWGRUBQPAD-UHFFFAOYSA-N 1 1 252.402 3.065 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433078918 372580630 /nfs/dbraw/zinc/58/06/30/372580630.db2.gz XGIGUXSJYHNNFO-IRXDYDNUSA-N 1 1 259.393 3.193 20 30 CGEDMO COCC[N@@H+](CCCC(C)(C)C#N)[C@H]1CCCSC1 ZINC000433185981 372583881 /nfs/dbraw/zinc/58/38/81/372583881.db2.gz GZNDBHLOEHZCNB-AWEZNQCLSA-N 1 1 284.469 3.160 20 30 CGEDMO C[C@@H](C#N)C[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000167109357 372589665 /nfs/dbraw/zinc/58/96/65/372589665.db2.gz CXLRELSRWMAONS-QMMMGPOBSA-N 1 1 260.234 3.094 20 30 CGEDMO CCCO[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)CC1 ZINC000170989283 372697391 /nfs/dbraw/zinc/69/73/91/372697391.db2.gz IGHBXAKKVKPQOJ-KRWDZBQOSA-N 1 1 272.392 3.339 20 30 CGEDMO COC[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccc(F)cc1 ZINC000344634140 217257749 /nfs/dbraw/zinc/25/77/49/217257749.db2.gz UHXDOAIDJWPLJD-HNNXBMFYSA-N 1 1 290.363 3.236 20 30 CGEDMO C[N@H+](CCc1ccc(Cl)cc1)C[C@H](C#N)CCC#N ZINC000172200028 372924776 /nfs/dbraw/zinc/92/47/76/372924776.db2.gz BAWXDLCEGVBVOC-AWEZNQCLSA-N 1 1 275.783 3.258 20 30 CGEDMO C[N@@H+](CCc1ccc(Cl)cc1)C[C@H](C#N)CCC#N ZINC000172200028 372924789 /nfs/dbraw/zinc/92/47/89/372924789.db2.gz BAWXDLCEGVBVOC-AWEZNQCLSA-N 1 1 275.783 3.258 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](c3ccccc3)C[C@@H]2C)C1=O ZINC000439318377 372977045 /nfs/dbraw/zinc/97/70/45/372977045.db2.gz QNNBMHAGLPLZDT-JQHSSLGASA-N 1 1 298.430 3.041 20 30 CGEDMO C[N@@H+](CC#Cc1ccccc1Cl)[C@H](CO)c1ccccc1 ZINC000441156728 372998714 /nfs/dbraw/zinc/99/87/14/372998714.db2.gz NVKVYCQKBCZCMR-GOSISDBHSA-N 1 1 299.801 3.357 20 30 CGEDMO C=CC[N@H+](CCC(=O)OC(C)C)Cc1ccc(OC)cc1 ZINC000441210608 373001052 /nfs/dbraw/zinc/00/10/52/373001052.db2.gz PHXLBLUZLGJQNX-UHFFFAOYSA-N 1 1 291.391 3.025 20 30 CGEDMO CCC(C)(C)[C@H]1CCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000441665133 373030749 /nfs/dbraw/zinc/03/07/49/373030749.db2.gz HLKWFFCTQMTBBZ-MRXNPFEDSA-N 1 1 299.418 3.397 20 30 CGEDMO C[C@H]([NH2+]C(C)(C)CN[C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000442784292 373080003 /nfs/dbraw/zinc/08/00/03/373080003.db2.gz RWWHJYRVPYIHDO-YQQAZPJKSA-N 1 1 285.435 3.398 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000444624443 373215092 /nfs/dbraw/zinc/21/50/92/373215092.db2.gz LYBVKMBMUNLUQZ-NEPJUHHUSA-N 1 1 292.345 3.094 20 30 CGEDMO C=CC[C@@H]1[N@@H+](CCn2ccnc2C)CCCC1(C)C ZINC000444785375 373274097 /nfs/dbraw/zinc/27/40/97/373274097.db2.gz QLXPCGPLXUWQLB-HNNXBMFYSA-N 1 1 261.413 3.258 20 30 CGEDMO CC(C)(C)[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)C[C@H]1O ZINC000444675191 373229177 /nfs/dbraw/zinc/22/91/77/373229177.db2.gz MTOUXDHVPZXSHK-HUUCEWRRSA-N 1 1 280.456 3.435 20 30 CGEDMO C[N@H+](CC#Cc1ccccc1)Cc1cc(F)cc(F)c1 ZINC000444700597 373242100 /nfs/dbraw/zinc/24/21/00/373242100.db2.gz GJZUWVHVDOZJMI-UHFFFAOYSA-N 1 1 271.310 3.448 20 30 CGEDMO C[N@@H+](CC#Cc1ccccc1)Cc1cc(F)cc(F)c1 ZINC000444700597 373242106 /nfs/dbraw/zinc/24/21/06/373242106.db2.gz GJZUWVHVDOZJMI-UHFFFAOYSA-N 1 1 271.310 3.448 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H](C(C)C)C1 ZINC000444751974 373258393 /nfs/dbraw/zinc/25/83/93/373258393.db2.gz RGPFAJIJQTXMRO-HNNXBMFYSA-N 1 1 272.392 3.435 20 30 CGEDMO CC(C)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000444753545 373261341 /nfs/dbraw/zinc/26/13/41/373261341.db2.gz OLERSBPSKHTAMN-GOEBONIOSA-N 1 1 299.418 3.253 20 30 CGEDMO C=C(CC)C[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000444766894 373263568 /nfs/dbraw/zinc/26/35/68/373263568.db2.gz NYMXYKIGIPJMKV-UHFFFAOYSA-N 1 1 289.810 3.300 20 30 CGEDMO CCC[C@@]1(CO)CCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000444771922 373267095 /nfs/dbraw/zinc/26/70/95/373267095.db2.gz SFBAIWLMDHPLPY-KRWDZBQOSA-N 1 1 291.822 3.319 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2nnc(C3CC3)[nH]2)CCCC1(C)C ZINC000444774043 373269887 /nfs/dbraw/zinc/26/98/87/373269887.db2.gz HHNYDMNUZLSMCJ-CYBMUJFWSA-N 1 1 274.412 3.249 20 30 CGEDMO C=CC[C@H]1[N@H+](Cc2nnc(C3CC3)[nH]2)CCCC1(C)C ZINC000444774043 373269890 /nfs/dbraw/zinc/26/98/90/373269890.db2.gz HHNYDMNUZLSMCJ-CYBMUJFWSA-N 1 1 274.412 3.249 20 30 CGEDMO C=CC[C@@H]1[N@H+](CC[C@@H]2CCOC2)CCCC1(C)C ZINC000446827443 373367912 /nfs/dbraw/zinc/36/79/12/373367912.db2.gz OJAVPOJVVADVQX-CABCVRRESA-N 1 1 251.414 3.480 20 30 CGEDMO C=C(C)C[N@@H+]1CCN(c2cccc3cnccc32)C[C@@H]1C ZINC000447389988 373431544 /nfs/dbraw/zinc/43/15/44/373431544.db2.gz CIWAXOHHFUBFOL-HNNXBMFYSA-N 1 1 281.403 3.321 20 30 CGEDMO C[C@H]1CN(c2cccc3cnccc32)CC[N@H+]1CCCC#N ZINC000447380375 373430268 /nfs/dbraw/zinc/43/02/68/373430268.db2.gz FFNKRWREDUMKJO-HNNXBMFYSA-N 1 1 294.402 3.049 20 30 CGEDMO CC[C@@H](N[C@@H](C)C[NH+](CC)CC)c1ccc(C#N)cc1 ZINC000447537433 373448550 /nfs/dbraw/zinc/44/85/50/373448550.db2.gz VWCZXXJQHIHBBM-WMLDXEAASA-N 1 1 273.424 3.329 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc2cc[nH]c2n1)c1ccc(C#N)cc1F ZINC000353622235 220200468 /nfs/dbraw/zinc/20/04/68/220200468.db2.gz MFFJWIUGPFQYCG-NSHDSACASA-N 1 1 294.333 3.424 20 30 CGEDMO C[C@H](O)C[C@H]1CCCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000447837563 373506637 /nfs/dbraw/zinc/50/66/37/373506637.db2.gz VPVCWHRNNXNTPF-WMLDXEAASA-N 1 1 291.822 3.317 20 30 CGEDMO C#CC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000175863249 373529471 /nfs/dbraw/zinc/52/94/71/373529471.db2.gz KFTOPNHXEWJVFD-KBPBESRZSA-N 1 1 263.406 3.049 20 30 CGEDMO COc1cc(C[NH2+][C@@H](C)c2csc(C)n2)ccc1C#N ZINC000353638948 220211570 /nfs/dbraw/zinc/21/15/70/220211570.db2.gz CMZITTDIFJHMTN-JTQLQIEISA-N 1 1 287.388 3.183 20 30 CGEDMO C=CCC[N@@H+]1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000448552161 373586997 /nfs/dbraw/zinc/58/69/97/373586997.db2.gz NNDQAFDAXXYPQG-INIZCTEOSA-N 1 1 258.409 3.016 20 30 CGEDMO C=CCCN1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000448552161 373587001 /nfs/dbraw/zinc/58/70/01/373587001.db2.gz NNDQAFDAXXYPQG-INIZCTEOSA-N 1 1 258.409 3.016 20 30 CGEDMO C=CCCN1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000448552161 373587010 /nfs/dbraw/zinc/58/70/10/373587010.db2.gz NNDQAFDAXXYPQG-INIZCTEOSA-N 1 1 258.409 3.016 20 30 CGEDMO COCC[N@@H+](CC#Cc1ccc(F)cc1)Cc1ccccc1 ZINC000448446034 373577547 /nfs/dbraw/zinc/57/75/47/373577547.db2.gz GNGAEAQVUSLSGK-UHFFFAOYSA-N 1 1 297.373 3.326 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@H](OC)C(C)(C)C2)c1 ZINC000449502922 373800075 /nfs/dbraw/zinc/80/00/75/373800075.db2.gz SGHDKUXFCQSGTL-KRWDZBQOSA-N 1 1 289.419 3.498 20 30 CGEDMO Cc1cc(Br)cc(C[N@H+](C)[C@@H](C)CC#N)c1O ZINC000180056640 373959600 /nfs/dbraw/zinc/95/96/00/373959600.db2.gz UGOHJUZCDDFNKP-JTQLQIEISA-N 1 1 297.196 3.197 20 30 CGEDMO COc1ccc(C#N)cc1C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000179685701 373905877 /nfs/dbraw/zinc/90/58/77/373905877.db2.gz HDXADNUAWLXNQW-UHFFFAOYSA-N 1 1 296.345 3.485 20 30 CGEDMO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC1(C#N)CCC1 ZINC000450285152 374040563 /nfs/dbraw/zinc/04/05/63/374040563.db2.gz MZJOKQPQDOAFCW-UHFFFAOYSA-N 1 1 287.363 3.499 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC1(C#N)CCC1 ZINC000450285152 374040571 /nfs/dbraw/zinc/04/05/71/374040571.db2.gz MZJOKQPQDOAFCW-UHFFFAOYSA-N 1 1 287.363 3.499 20 30 CGEDMO C[C@@H](O)C[N@@H+](Cc1ccc(F)c(C#N)c1)C1CCCCC1 ZINC000305075047 374064357 /nfs/dbraw/zinc/06/43/57/374064357.db2.gz VBUFIJRNRGFWPT-CYBMUJFWSA-N 1 1 290.382 3.213 20 30 CGEDMO C[C@H]1C[C@H](N[C@@H](CCC#N)c2ccccc2)CC[N@H+]1C ZINC000181574798 374141909 /nfs/dbraw/zinc/14/19/09/374141909.db2.gz JQMIHSWCZRFBMK-UAGQMJEPSA-N 1 1 271.408 3.104 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)C[C@H](O)[C@H](C)c1ccccc1 ZINC000450691759 374172579 /nfs/dbraw/zinc/17/25/79/374172579.db2.gz ALXJSQDXVYIJBX-APWZRJJASA-N 1 1 299.414 3.475 20 30 CGEDMO C[N@@H+](CCC#N)CCCc1ccccc1Br ZINC000181974211 374198005 /nfs/dbraw/zinc/19/80/05/374198005.db2.gz NOKFSIHPCDUXBR-UHFFFAOYSA-N 1 1 281.197 3.227 20 30 CGEDMO C[N@H+](CCC#N)CCCc1ccccc1Br ZINC000181974211 374198014 /nfs/dbraw/zinc/19/80/14/374198014.db2.gz NOKFSIHPCDUXBR-UHFFFAOYSA-N 1 1 281.197 3.227 20 30 CGEDMO COC[C@H]1CCC[N@H+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000452074918 374226520 /nfs/dbraw/zinc/22/65/20/374226520.db2.gz CQPKMIWPKHEASL-HOCLYGCPSA-N 1 1 272.392 3.368 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(Br)cc1 ZINC000309571471 374187484 /nfs/dbraw/zinc/18/74/84/374187484.db2.gz NTDBNPSGUMYGDV-SNVBAGLBSA-N 1 1 279.181 3.403 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)[C@@H](C)C1 ZINC000311271993 374237333 /nfs/dbraw/zinc/23/73/33/374237333.db2.gz SLFSCDAKVDQASQ-FZMZJTMJSA-N 1 1 278.783 3.211 20 30 CGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000317334263 374339302 /nfs/dbraw/zinc/33/93/02/374339302.db2.gz AHGHHKPZUAFZDX-HIFRSBDPSA-N 1 1 299.418 3.253 20 30 CGEDMO C[C@@H](C[N@H+](C)Cc1ccccc1)NCc1cc(C#N)cs1 ZINC000182682705 374313716 /nfs/dbraw/zinc/31/37/16/374313716.db2.gz WYCPNFWLUNWKPC-AWEZNQCLSA-N 1 1 299.443 3.230 20 30 CGEDMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NCc1cc(C#N)cs1 ZINC000182682705 374313725 /nfs/dbraw/zinc/31/37/25/374313725.db2.gz WYCPNFWLUNWKPC-AWEZNQCLSA-N 1 1 299.443 3.230 20 30 CGEDMO C[C@H](C[N@H+](C)Cc1cc(F)ccc1C#N)c1nccs1 ZINC000184016672 374483214 /nfs/dbraw/zinc/48/32/14/374483214.db2.gz RYUOKZNJEMXRBY-LLVKDONJSA-N 1 1 289.379 3.389 20 30 CGEDMO C[C@H](C[N@@H+](C)Cc1cc(F)ccc1C#N)c1nccs1 ZINC000184016672 374483222 /nfs/dbraw/zinc/48/32/22/374483222.db2.gz RYUOKZNJEMXRBY-LLVKDONJSA-N 1 1 289.379 3.389 20 30 CGEDMO CC(C)[C@H]([NH2+]CCCC(C)(C)C#N)C(=O)OC(C)(C)C ZINC000184311206 374513589 /nfs/dbraw/zinc/51/35/89/374513589.db2.gz FRSYLOIKIFCVAO-ZDUSSCGKSA-N 1 1 282.428 3.272 20 30 CGEDMO C=CCCCCN1CC[NH+](CCc2cccs2)CC1 ZINC000574518855 335026102 /nfs/dbraw/zinc/02/61/02/335026102.db2.gz NXJJFUWDHOKMFQ-UHFFFAOYSA-N 1 1 278.465 3.265 20 30 CGEDMO C[C@H](CCN[C@@H](C)c1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000184507588 374534582 /nfs/dbraw/zinc/53/45/82/374534582.db2.gz YRXNXKJCNODMMK-CVEARBPZSA-N 1 1 285.435 3.473 20 30 CGEDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000185598432 374695409 /nfs/dbraw/zinc/69/54/09/374695409.db2.gz XUAQLYHHXNGUAY-WFASDCNBSA-N 1 1 296.374 3.229 20 30 CGEDMO C=CC[N@H+](CCCc1cncn1C)Cc1ccccc1F ZINC000574529937 335027525 /nfs/dbraw/zinc/02/75/25/335027525.db2.gz NXPATMMSMUDOOU-UHFFFAOYSA-N 1 1 287.382 3.180 20 30 CGEDMO C[C@H]1CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC12CCC2 ZINC000459370487 374804696 /nfs/dbraw/zinc/80/46/96/374804696.db2.gz IQRXVILUMKPPQM-ZDUSSCGKSA-N 1 1 299.374 3.479 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC12CCC2 ZINC000459370487 374804702 /nfs/dbraw/zinc/80/47/02/374804702.db2.gz IQRXVILUMKPPQM-ZDUSSCGKSA-N 1 1 299.374 3.479 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c1F ZINC000334521421 374817270 /nfs/dbraw/zinc/81/72/70/374817270.db2.gz QONNNKXSHDFHPP-HNNXBMFYSA-N 1 1 269.323 3.363 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)c1F ZINC000334521421 374817276 /nfs/dbraw/zinc/81/72/76/374817276.db2.gz QONNNKXSHDFHPP-HNNXBMFYSA-N 1 1 269.323 3.363 20 30 CGEDMO C[C@@H]([NH2+][C@@H](C)CN1CCCCCC1)c1cccc(C#N)c1 ZINC000186727013 374906176 /nfs/dbraw/zinc/90/61/76/374906176.db2.gz NTYZEFCHVLVQJH-JKSUJKDBSA-N 1 1 285.435 3.473 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCCC[C@@H](COC)C2)c1 ZINC000468693605 374983145 /nfs/dbraw/zinc/98/31/45/374983145.db2.gz KACZQKRSPVFYFC-QGZVFWFLSA-N 1 1 289.419 3.500 20 30 CGEDMO CC#CCC[N@@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000469748665 374991006 /nfs/dbraw/zinc/99/10/06/374991006.db2.gz MOIUTMRYBLFWEI-UHFFFAOYSA-N 1 1 285.309 3.429 20 30 CGEDMO C=CCOCCC[N@H+](C)CCOc1cccc(Cl)c1 ZINC000470723620 374998648 /nfs/dbraw/zinc/99/86/48/374998648.db2.gz QLLXNXIBVXHORD-UHFFFAOYSA-N 1 1 283.799 3.243 20 30 CGEDMO C=CCOCCC[N@H+](CCC)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000470769201 374998712 /nfs/dbraw/zinc/99/87/12/374998712.db2.gz KXAWVPJTAGOADU-ARFHVFGLSA-N 1 1 281.440 3.105 20 30 CGEDMO C=CCOCCC[N@H+](C)CCc1ccc(Cl)cc1 ZINC000470767701 374999676 /nfs/dbraw/zinc/99/96/76/374999676.db2.gz VXTBCETWNQHUBQ-UHFFFAOYSA-N 1 1 267.800 3.407 20 30 CGEDMO C=C(C)C[N@@H+](CC(=O)N[C@@H](C)C(C)C)Cc1ccccc1 ZINC000470916477 375001615 /nfs/dbraw/zinc/00/16/15/375001615.db2.gz BFUGVXOHRHDOJN-INIZCTEOSA-N 1 1 288.435 3.225 20 30 CGEDMO C=C(C)C[N@H+](CC(=O)N[C@@H](C)C(C)C)Cc1ccccc1 ZINC000470916477 375001621 /nfs/dbraw/zinc/00/16/21/375001621.db2.gz BFUGVXOHRHDOJN-INIZCTEOSA-N 1 1 288.435 3.225 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CC[C@@H](c2ccc(C)cc2C)C1 ZINC000471015824 375003650 /nfs/dbraw/zinc/00/36/50/375003650.db2.gz AFLBCWCSBPTSEF-IAGOWNOFSA-N 1 1 273.420 3.420 20 30 CGEDMO CC[C@@]1(CO)CCC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000187554219 375041284 /nfs/dbraw/zinc/04/12/84/375041284.db2.gz QGQYPCJSZJQJJF-WMLDXEAASA-N 1 1 272.392 3.104 20 30 CGEDMO C=CCCCCC[N@@H+](C)[C@@H]1CCN(CC)C[C@H]1C ZINC000187694719 375075452 /nfs/dbraw/zinc/07/54/52/375075452.db2.gz MVOXXNAXLVFEKQ-HZPDHXFCSA-N 1 1 252.446 3.395 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(CC)C[C@H]1C ZINC000187694719 375075459 /nfs/dbraw/zinc/07/54/59/375075459.db2.gz MVOXXNAXLVFEKQ-HZPDHXFCSA-N 1 1 252.446 3.395 20 30 CGEDMO C=CCSCC[NH2+][C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000188174254 375169948 /nfs/dbraw/zinc/16/99/48/375169948.db2.gz AWAVQYJSTOBAGM-CQSZACIVSA-N 1 1 291.395 3.147 20 30 CGEDMO CCO[C@@H]1C[C@H]([N@@H+](C)CC#Cc2ccccc2)C1(C)C ZINC000483970491 375185555 /nfs/dbraw/zinc/18/55/55/375185555.db2.gz CGRGXNTZLHQXFH-DLBZAZTESA-N 1 1 271.404 3.174 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000486426475 375196138 /nfs/dbraw/zinc/19/61/38/375196138.db2.gz NVZYRSLVGXJBIQ-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1[C@H](C)CCC ZINC000486792649 375197682 /nfs/dbraw/zinc/19/76/82/375197682.db2.gz VIYNUUSZCDFBLF-CVEARBPZSA-N 1 1 278.440 3.088 20 30 CGEDMO CC#CCC[N@@H+](Cc1ccccc1)C[C@](C)(O)CC ZINC000189739370 375442739 /nfs/dbraw/zinc/44/27/39/375442739.db2.gz HZCOWJPPVDBNPL-QGZVFWFLSA-N 1 1 259.393 3.063 20 30 CGEDMO C[C@H]1COCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000335811004 375450379 /nfs/dbraw/zinc/45/03/79/375450379.db2.gz FVJQYSRJHQAMNY-LLVKDONJSA-N 1 1 298.308 3.045 20 30 CGEDMO C[C@H]1COCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000335811004 375450383 /nfs/dbraw/zinc/45/03/83/375450383.db2.gz FVJQYSRJHQAMNY-LLVKDONJSA-N 1 1 298.308 3.045 20 30 CGEDMO N#CC1CC[NH+](C/C=C/c2ccc(F)cc2F)CC1 ZINC000335817259 375454473 /nfs/dbraw/zinc/45/44/73/375454473.db2.gz QDTNMCGDMWKGAJ-OWOJBTEDSA-N 1 1 262.303 3.214 20 30 CGEDMO C[N@@H+](CCCC#N)Cc1ccc(Br)c(F)c1 ZINC000494245597 375486973 /nfs/dbraw/zinc/48/69/73/375486973.db2.gz SRVLDZSLZUINGD-UHFFFAOYSA-N 1 1 285.160 3.324 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)cc1 ZINC000494660935 375489998 /nfs/dbraw/zinc/48/99/98/375489998.db2.gz HLUXYZACHXFFMO-GOSISDBHSA-N 1 1 284.403 3.144 20 30 CGEDMO C=CC[N@@H+](C)CCOc1cc(Cl)ccc1Cl ZINC000494687672 375491919 /nfs/dbraw/zinc/49/19/19/375491919.db2.gz GHTQYCHZDHBMNW-UHFFFAOYSA-N 1 1 260.164 3.490 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000495708236 375501611 /nfs/dbraw/zinc/50/16/11/375501611.db2.gz UZTCBBJVPTUKAV-OAHLLOKOSA-N 1 1 294.439 3.027 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000495749391 375501648 /nfs/dbraw/zinc/50/16/48/375501648.db2.gz XCDDOIDESXRFRG-ZIAGYGMSSA-N 1 1 282.428 3.188 20 30 CGEDMO C[C@@H](CCC#N)[N@@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000496321606 375528508 /nfs/dbraw/zinc/52/85/08/375528508.db2.gz FUOSJCKOJZVAPD-ZDUSSCGKSA-N 1 1 297.443 3.161 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)cc1 ZINC000497114816 375577956 /nfs/dbraw/zinc/57/79/56/375577956.db2.gz MSCUPIUOQKDZDC-AEFFLSMTSA-N 1 1 289.419 3.234 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3ccncc3)C2)cc1 ZINC000336001780 375608618 /nfs/dbraw/zinc/60/86/18/375608618.db2.gz HJYXHITXXJTXJH-GOSISDBHSA-N 1 1 277.371 3.333 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cnc([C@@H]2CCCO2)s1 ZINC000505872971 375663574 /nfs/dbraw/zinc/66/35/74/375663574.db2.gz SXYOOVWVJFSATL-ZDUSSCGKSA-N 1 1 266.410 3.393 20 30 CGEDMO CSC[C@H]1CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192077756 375695852 /nfs/dbraw/zinc/69/58/52/375695852.db2.gz VHJZCYNELQDVFW-CYBMUJFWSA-N 1 1 264.369 3.025 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCS[C@@H](C)CC1 ZINC000192170510 375706137 /nfs/dbraw/zinc/70/61/37/375706137.db2.gz MMTIFGPKZHCDGT-STQMWFEESA-N 1 1 260.406 3.447 20 30 CGEDMO C[N@@H+](CCC1CCCCC1)CC(=O)Nc1ccc(C#N)cc1 ZINC000507616775 375717388 /nfs/dbraw/zinc/71/73/88/375717388.db2.gz QBAVQHVNNAOMEE-UHFFFAOYSA-N 1 1 299.418 3.399 20 30 CGEDMO CCO[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000126659276 542041170 /nfs/dbraw/zinc/04/11/70/542041170.db2.gz WFBZPSMQLQCSKG-MRXNPFEDSA-N 1 1 277.795 3.192 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)CC1CC(OCC)C1 ZINC000509832164 375783730 /nfs/dbraw/zinc/78/37/30/375783730.db2.gz LKXCABOSBUZGKS-UHFFFAOYSA-N 1 1 259.393 3.490 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H]1C(=O)OC(C)(C)C ZINC000508990925 375767084 /nfs/dbraw/zinc/76/70/84/375767084.db2.gz JFJZTHOGPVSESA-ZDUSSCGKSA-N 1 1 253.386 3.149 20 30 CGEDMO C[C@H]1CCCC[C@H]1[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000192624024 375773373 /nfs/dbraw/zinc/77/33/73/375773373.db2.gz HSLPVUIMQBWNMP-WCQYABFASA-N 1 1 291.420 3.069 20 30 CGEDMO C=C(C)CC[N@@H+](CC(N)=O)[C@@H](C)c1ccc(CCC)cc1 ZINC000509373686 375779314 /nfs/dbraw/zinc/77/93/14/375779314.db2.gz PMBRZXMTWSIPOE-HNNXBMFYSA-N 1 1 288.435 3.454 20 30 CGEDMO Cc1cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)ccc1C#N ZINC000336546572 375823317 /nfs/dbraw/zinc/82/33/17/375823317.db2.gz YRFHJBQSPKPOAV-IUODEOHRSA-N 1 1 271.364 3.002 20 30 CGEDMO Cc1cc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@H]2C)ccc1C#N ZINC000336546571 375823852 /nfs/dbraw/zinc/82/38/52/375823852.db2.gz YRFHJBQSPKPOAV-DOMZBBRYSA-N 1 1 271.364 3.002 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000193340006 375863074 /nfs/dbraw/zinc/86/30/74/375863074.db2.gz LVJSVNYTFWBEAA-OAHLLOKOSA-N 1 1 288.439 3.150 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@H]1[C@H](C)CC ZINC000525328227 375882608 /nfs/dbraw/zinc/88/26/08/375882608.db2.gz GNAGRJKJQOLGQV-CVEARBPZSA-N 1 1 278.440 3.088 20 30 CGEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC000528367894 375898688 /nfs/dbraw/zinc/89/86/88/375898688.db2.gz JTGJXSKCRKNBLD-MSOLQXFVSA-N 1 1 298.430 3.311 20 30 CGEDMO C=C[C@H](C)[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000336678598 375900910 /nfs/dbraw/zinc/90/09/10/375900910.db2.gz AFHHOQJYFUNSKO-BQBZGAKWSA-N 1 1 250.289 3.387 20 30 CGEDMO COc1cccc([C@H]2C[N@@H+](CC3(C#N)CC3)CC2(C)C)c1 ZINC000528625170 375907613 /nfs/dbraw/zinc/90/76/13/375907613.db2.gz OEUDYGZLELPLPW-MRXNPFEDSA-N 1 1 284.403 3.424 20 30 CGEDMO C=CC[NH+]1CCC(N[C@@H](C)c2ccc(C)cc2OC)CC1 ZINC000532514323 375951980 /nfs/dbraw/zinc/95/19/80/375951980.db2.gz MZRUWJGSVGQENZ-HNNXBMFYSA-N 1 1 288.435 3.305 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000532124338 375949384 /nfs/dbraw/zinc/94/93/84/375949384.db2.gz ZNMTXJYOQZFBER-YHUYYLMFSA-N 1 1 251.414 3.214 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+](C)Cc2cccc3ccccc32)C1=O ZINC000337125681 376085895 /nfs/dbraw/zinc/08/58/95/376085895.db2.gz FEZRPVUAWIXOLE-SFHVURJKSA-N 1 1 294.398 3.059 20 30 CGEDMO C[N@@H+](CCCC1(C#N)CCOCC1)CC(C)(C)C ZINC000337128373 376087497 /nfs/dbraw/zinc/08/74/97/376087497.db2.gz HVKAKVQHTKBXOS-UHFFFAOYSA-N 1 1 252.402 3.065 20 30 CGEDMO C[C@H]1CCC[N@@H+](CCCC2(C#N)CCOCC2)CC1 ZINC000337146061 376099980 /nfs/dbraw/zinc/09/99/80/376099980.db2.gz XZVDNHNBNWGUMJ-HNNXBMFYSA-N 1 1 264.413 3.209 20 30 CGEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2c2ccc(C)c(C)c2)C1=O ZINC000337145227 376101183 /nfs/dbraw/zinc/10/11/83/376101183.db2.gz XGSFCUQWOCXQSO-QZTJIDSGSA-N 1 1 298.430 3.227 20 30 CGEDMO COC(=O)c1cccc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c1C#N ZINC000535962681 376074872 /nfs/dbraw/zinc/07/48/72/376074872.db2.gz HLOKFYTUFBPIOZ-GUYCJALGSA-N 1 1 298.386 3.109 20 30 CGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H]3CCCC[C@H]32)cc1 ZINC000218006749 376182839 /nfs/dbraw/zinc/18/28/39/376182839.db2.gz GICZXVVCWAKHFB-CGTJXYLNSA-N 1 1 284.403 3.246 20 30 CGEDMO Cc1ccc2c(C[N@H+](C[C@@H](C)C#N)C3CC3)ccc(O)c2n1 ZINC000338286692 376314755 /nfs/dbraw/zinc/31/47/55/376314755.db2.gz OJKUZHAQVLWQCE-LBPRGKRZSA-N 1 1 295.386 3.373 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000539104567 376295822 /nfs/dbraw/zinc/29/58/22/376295822.db2.gz MJXFSXWDGOZHQI-AWEZNQCLSA-N 1 1 267.413 3.396 20 30 CGEDMO CCc1cccc(C)c1NC(=O)C[NH+]1CCC(CC#N)CC1 ZINC000541022994 376415062 /nfs/dbraw/zinc/41/50/62/376415062.db2.gz KMKACFRTYXCVDA-UHFFFAOYSA-N 1 1 299.418 3.122 20 30 CGEDMO C=CCC[N@H+](C)Cc1c(C)nn(-c2ccccc2)c1C ZINC000338544941 376417586 /nfs/dbraw/zinc/41/75/86/376417586.db2.gz AMUNDPDQHUGSCI-UHFFFAOYSA-N 1 1 269.392 3.497 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000540339794 376370633 /nfs/dbraw/zinc/37/06/33/376370633.db2.gz ADMRTTRLVDUDCY-XHSDSOJGSA-N 1 1 251.414 3.480 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000541388256 376445725 /nfs/dbraw/zinc/44/57/25/376445725.db2.gz ZLAXKWYAEWGDBH-GJZGRUSLSA-N 1 1 280.456 3.168 20 30 CGEDMO N#CC1CC[NH+](C/C=C\c2ccc(F)cc2F)CC1 ZINC000541773167 376481456 /nfs/dbraw/zinc/48/14/56/376481456.db2.gz QDTNMCGDMWKGAJ-UPHRSURJSA-N 1 1 262.303 3.214 20 30 CGEDMO CC[N@@H+](CCOc1ccc(C#N)cc1)CC1CCC1 ZINC000230316507 376505560 /nfs/dbraw/zinc/50/55/60/376505560.db2.gz SYOQTWBEJMWMIX-UHFFFAOYSA-N 1 1 258.365 3.059 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](O)COc1cc(C)ccc1Cl ZINC000542508560 376552580 /nfs/dbraw/zinc/55/25/80/376552580.db2.gz HCXBUZBRQACNIA-AWEZNQCLSA-N 1 1 297.826 3.286 20 30 CGEDMO C[C@@H]([NH2+][C@H]1COc2ccc(F)cc21)c1cccc(C#N)c1 ZINC000334316261 206358276 /nfs/dbraw/zinc/35/82/76/206358276.db2.gz SFZVORZTGLCPJI-BZNIZROVSA-N 1 1 282.318 3.482 20 30 CGEDMO C[C@@H]1C[N@@H+](CCOc2ccccc2C#N)[C@@H]2CCCC[C@H]21 ZINC000542968307 376595899 /nfs/dbraw/zinc/59/58/99/376595899.db2.gz YWSCEWWEXUGBJN-HYVNUMGLSA-N 1 1 284.403 3.448 20 30 CGEDMO C[C@@H]1C[N@@H+](CCOc2cccc(C#N)c2)[C@@H]2CCCC[C@H]21 ZINC000542969154 376597992 /nfs/dbraw/zinc/59/79/92/376597992.db2.gz LTCFUYAOYALHSR-FHLIZLRMSA-N 1 1 284.403 3.448 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000338922586 376577174 /nfs/dbraw/zinc/57/71/74/376577174.db2.gz ZVIHPRPUDTWQJQ-INIZCTEOSA-N 1 1 263.356 3.035 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCc1ccccc1O ZINC000543246019 376624282 /nfs/dbraw/zinc/62/42/82/376624282.db2.gz ZSNJIOUHOOXLMM-CQSZACIVSA-N 1 1 280.371 3.499 20 30 CGEDMO COc1cc(C[N@@H+](C)C2CCCCC2)ccc1C#N ZINC000234917791 376625346 /nfs/dbraw/zinc/62/53/46/376625346.db2.gz RYCAKSHASNLUHT-UHFFFAOYSA-N 1 1 258.365 3.331 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)cc1 ZINC000237841538 376761983 /nfs/dbraw/zinc/76/19/83/376761983.db2.gz SPGSNBHVGXPVPA-GOSISDBHSA-N 1 1 277.371 3.245 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](Nc3ccccc3)C2)cc1 ZINC000237841569 376762625 /nfs/dbraw/zinc/76/26/25/376762625.db2.gz SPGSNBHVGXPVPA-SFHVURJKSA-N 1 1 277.371 3.245 20 30 CGEDMO C[C@H]1C[N@@H+](CCCCC#N)C[C@@H](c2ccccc2)O1 ZINC000245385464 376804697 /nfs/dbraw/zinc/80/46/97/376804697.db2.gz CVSKIRNVJNEIPQ-HOCLYGCPSA-N 1 1 258.365 3.142 20 30 CGEDMO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ncc(-c2ccccc2C)o1 ZINC000556343641 376864056 /nfs/dbraw/zinc/86/40/56/376864056.db2.gz GDRCUXRXBNOFQV-CABCVRRESA-N 1 1 284.359 3.083 20 30 CGEDMO CC(C)(C#N)CCC[N@@H+](C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000245633526 376872869 /nfs/dbraw/zinc/87/28/69/376872869.db2.gz QUMIRVQEBCCSAN-GJZGRUSLSA-N 1 1 296.480 3.303 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c1 ZINC000245685931 376879733 /nfs/dbraw/zinc/87/97/33/376879733.db2.gz ANORJMUSISCSGF-FUHWJXTLSA-N 1 1 287.403 3.252 20 30 CGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](CC2CC2)C1 ZINC000557052647 376920176 /nfs/dbraw/zinc/92/01/76/376920176.db2.gz ZZGQNJOLFGDEKY-UKRRQHHQSA-N 1 1 297.402 3.007 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@H](C)C[C@H](C)C2)cc1C#N ZINC000340174279 376935961 /nfs/dbraw/zinc/93/59/61/376935961.db2.gz PVXVZKGTRQJMQL-KBPBESRZSA-N 1 1 272.392 3.435 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](C)C[C@H]2CCCC[C@H]2O)c1 ZINC000246027017 376954810 /nfs/dbraw/zinc/95/48/10/376954810.db2.gz VQPYYBRJLAAIEG-SJLPKXTDSA-N 1 1 289.419 3.234 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC000246670989 377069939 /nfs/dbraw/zinc/06/99/39/377069939.db2.gz DELFLVVXPQNILB-XYJFISCASA-N 1 1 289.419 3.084 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000246747911 377080463 /nfs/dbraw/zinc/08/04/63/377080463.db2.gz PNAVAZZYYKEMFV-WMZOPIPTSA-N 1 1 298.430 3.489 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@H]1CC[C@@H](SCC)C1 ZINC000247230170 377180775 /nfs/dbraw/zinc/18/07/75/377180775.db2.gz DCLVGXGKQNKJRM-LSDHHAIUSA-N 1 1 298.496 3.017 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000247636749 377228825 /nfs/dbraw/zinc/22/88/25/377228825.db2.gz VGHOFARZSGAICO-HYVNUMGLSA-N 1 1 291.460 3.492 20 30 CGEDMO C=CC[N@@H+](Cc1nnc(CC)o1)CC1CCCCC1 ZINC000264843891 190138438 /nfs/dbraw/zinc/13/84/38/190138438.db2.gz MTBGCALTFQRLOR-UHFFFAOYSA-N 1 1 263.385 3.200 20 30 CGEDMO C=CC[N@H+](Cc1nnc(CC)o1)CC1CCCCC1 ZINC000264843891 190138439 /nfs/dbraw/zinc/13/84/39/190138439.db2.gz MTBGCALTFQRLOR-UHFFFAOYSA-N 1 1 263.385 3.200 20 30 CGEDMO C[N@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1ccc(CC#N)cc1 ZINC000562491933 377316832 /nfs/dbraw/zinc/31/68/32/377316832.db2.gz QPVIWFMJVUOACD-UHFFFAOYSA-N 1 1 296.418 3.405 20 30 CGEDMO C[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1ccc(CC#N)cc1 ZINC000562491933 377316839 /nfs/dbraw/zinc/31/68/39/377316839.db2.gz QPVIWFMJVUOACD-UHFFFAOYSA-N 1 1 296.418 3.405 20 30 CGEDMO CC[N@H+]1CC[C@H](N(C)Cc2cccc(C#N)c2F)C[C@@H]1C ZINC000340921709 377322947 /nfs/dbraw/zinc/32/29/47/377322947.db2.gz WLRRNBDZDMSZMP-BBRMVZONSA-N 1 1 289.398 3.002 20 30 CGEDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2cccc(C#N)c2F)C1(C)C ZINC000340887173 377303202 /nfs/dbraw/zinc/30/32/02/377303202.db2.gz ZCZQLOMINSOHMP-PBHICJAKSA-N 1 1 290.382 3.333 20 30 CGEDMO Cc1cc(C)cc(C[N@H+](C)Cc2ccc(C#N)cn2)c1 ZINC000563357989 377448197 /nfs/dbraw/zinc/44/81/97/377448197.db2.gz XKSKZPHHFDNGSQ-UHFFFAOYSA-N 1 1 265.360 3.202 20 30 CGEDMO C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCc1ccc(CC#N)cc1 ZINC000563155004 377410665 /nfs/dbraw/zinc/41/06/65/377410665.db2.gz XDLPTMOBZTZPMK-YJBOKZPZSA-N 1 1 285.435 3.153 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cc(OC)c(OC)cc1F ZINC000565081856 377482834 /nfs/dbraw/zinc/48/28/34/377482834.db2.gz SOEDYAACLAYNKS-UHFFFAOYSA-N 1 1 267.344 3.241 20 30 CGEDMO CN(c1ccccc1)c1ccc(C[NH2+]CC2(C#N)CC2)cn1 ZINC000565341855 377485682 /nfs/dbraw/zinc/48/56/82/377485682.db2.gz AYCDYCAIIQRRER-UHFFFAOYSA-N 1 1 292.386 3.243 20 30 CGEDMO CCC[N@@H+](C)[C@H](CNCCC#N)c1ccc(Cl)cc1 ZINC000567707559 377510376 /nfs/dbraw/zinc/51/03/76/377510376.db2.gz YHGOCPUWZVILRP-OAHLLOKOSA-N 1 1 279.815 3.226 20 30 CGEDMO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(C#N)cc1 ZINC000037654276 249003124 /nfs/dbraw/zinc/00/31/24/249003124.db2.gz OFXYPSKSDZZTDK-JTQLQIEISA-N 1 1 287.344 3.379 20 30 CGEDMO CC(C)c1[nH+]c(CNCC2(CC#N)CC2)c2ccccn21 ZINC000569250211 377528218 /nfs/dbraw/zinc/52/82/18/377528218.db2.gz MMXGRHBCEPPUKQ-UHFFFAOYSA-N 1 1 282.391 3.241 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000570015890 377532963 /nfs/dbraw/zinc/53/29/63/377532963.db2.gz CEMLMEUZLYZBJN-AWEZNQCLSA-N 1 1 274.412 3.149 20 30 CGEDMO C=CC[N@@H+](Cc1cc(C(C)=O)no1)CC1CCCCC1 ZINC000571816790 377542993 /nfs/dbraw/zinc/54/29/93/377542993.db2.gz BYPOKCCLKDECGZ-UHFFFAOYSA-N 1 1 276.380 3.446 20 30 CGEDMO C=CC[N@H+](Cc1cc(C(C)=O)no1)CC1CCCCC1 ZINC000571816790 377542999 /nfs/dbraw/zinc/54/29/99/377542999.db2.gz BYPOKCCLKDECGZ-UHFFFAOYSA-N 1 1 276.380 3.446 20 30 CGEDMO N#Cc1ccc(OCC[N@H+]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000315472436 249099162 /nfs/dbraw/zinc/09/91/62/249099162.db2.gz UHASUHIZJKRIJZ-GOSISDBHSA-N 1 1 292.382 3.427 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000265511287 190187006 /nfs/dbraw/zinc/18/70/06/190187006.db2.gz ZVZCEXHHBYKLCG-UHFFFAOYSA-N 1 1 286.419 3.109 20 30 CGEDMO C=CC[C@H](CC)NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000341655928 377610972 /nfs/dbraw/zinc/61/09/72/377610972.db2.gz STMKULIIPRDSQP-HOTGVXAUSA-N 1 1 274.408 3.150 20 30 CGEDMO CCCOc1ccc(C[NH2+]CC2(C#N)CC2)cc1OCC ZINC000574110761 377621749 /nfs/dbraw/zinc/62/17/49/377621749.db2.gz CWVYZWQWBDFROT-UHFFFAOYSA-N 1 1 288.391 3.267 20 30 CGEDMO C=CC[C@@H](C)NC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000342485889 377651233 /nfs/dbraw/zinc/65/12/33/377651233.db2.gz XFPXCQJOPLKCIR-HUUCEWRRSA-N 1 1 295.471 3.151 20 30 CGEDMO Cc1nc2ccc(CSc3ccc(C#N)cn3)cc2[nH]1 ZINC000342677981 377728755 /nfs/dbraw/zinc/72/87/55/377728755.db2.gz RMCXNLXVKSEGLN-UHFFFAOYSA-N 1 1 280.356 3.430 20 30 CGEDMO C=CCC[N@@H+](C)CCCc1nc(-c2cccs2)no1 ZINC000342731065 377761057 /nfs/dbraw/zinc/76/10/57/377761057.db2.gz ARWAKXVJJLFLPD-UHFFFAOYSA-N 1 1 277.393 3.239 20 30 CGEDMO COC[C@H]1CCCC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000342734062 377762175 /nfs/dbraw/zinc/76/21/75/377762175.db2.gz GPJTUOINHRLLHT-HOCLYGCPSA-N 1 1 272.392 3.368 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000342740319 377768861 /nfs/dbraw/zinc/76/88/61/377768861.db2.gz SOKXGBFDFKVDIH-LBPRGKRZSA-N 1 1 257.337 3.306 20 30 CGEDMO C=C(Cl)CN1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000738881458 572395656 /nfs/dbraw/zinc/39/56/56/572395656.db2.gz IYDJSJOEPSARPY-UHFFFAOYSA-N 1 1 284.856 3.181 20 30 CGEDMO C[C@H](C#N)C[N@@H+](CCCCC(=O)OC(C)(C)C)C1CC1 ZINC000343426503 377976731 /nfs/dbraw/zinc/97/67/31/377976731.db2.gz QQWKKESOTSRBAR-CYBMUJFWSA-N 1 1 280.412 3.122 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc(OC)ccc1OC(F)F ZINC000343435376 377978150 /nfs/dbraw/zinc/97/81/50/377978150.db2.gz BGRGBDBHJNMOOG-UHFFFAOYSA-N 1 1 271.307 3.305 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCC3(CCOCC3)C2)c(F)c1 ZINC000265994158 190221714 /nfs/dbraw/zinc/22/17/14/190221714.db2.gz GTVJEEVBNLUKDK-UHFFFAOYSA-N 1 1 288.366 3.090 20 30 CGEDMO C[N@@H+](CCCCC#N)[C@H]1CCCN(c2ccccc2)C1 ZINC000267374070 378037762 /nfs/dbraw/zinc/03/77/62/378037762.db2.gz SODPGPXLHWNZJX-KRWDZBQOSA-N 1 1 271.408 3.281 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccc(OC)cc1 ZINC000268527896 378071359 /nfs/dbraw/zinc/07/13/59/378071359.db2.gz DQIDJERRJDVNJU-WBVHZDCISA-N 1 1 275.392 3.159 20 30 CGEDMO C[C@H]([NH2+]CCCC#N)c1nc(C(F)(F)F)cs1 ZINC000343718892 378073602 /nfs/dbraw/zinc/07/36/02/378073602.db2.gz FPQJBQYCSXQFSN-ZETCQYMHSA-N 1 1 263.288 3.116 20 30 CGEDMO C[N@@H+](CCCc1ccccc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000268587817 378077551 /nfs/dbraw/zinc/07/75/51/378077551.db2.gz FCPSISCXASMXNO-LJQANCHMSA-N 1 1 294.398 3.156 20 30 CGEDMO C=CCCCCC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000578549534 378080162 /nfs/dbraw/zinc/08/01/62/378080162.db2.gz QJXNJLXXNHFYDI-BZUAXINKSA-N 1 1 250.430 3.195 20 30 CGEDMO N#CCc1ccc(C[N@@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000343575230 378025460 /nfs/dbraw/zinc/02/54/60/378025460.db2.gz LAHUIXNGGUBNJJ-LJQANCHMSA-N 1 1 292.382 3.326 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCOC[C@@H]2c2ccccc2)cc1 ZINC000343575230 378025464 /nfs/dbraw/zinc/02/54/64/378025464.db2.gz LAHUIXNGGUBNJJ-LJQANCHMSA-N 1 1 292.382 3.326 20 30 CGEDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1nc(C#N)cs1 ZINC000579019913 378123768 /nfs/dbraw/zinc/12/37/68/378123768.db2.gz RWVRMHXBNKMGHC-MDZLAQPJSA-N 1 1 261.394 3.168 20 30 CGEDMO C[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1cscn1 ZINC000579025485 378123896 /nfs/dbraw/zinc/12/38/96/378123896.db2.gz FAPMHNIYWLCCAZ-HZMBPMFUSA-N 1 1 269.373 3.353 20 30 CGEDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1nc(C#N)cs1 ZINC000579019916 378124201 /nfs/dbraw/zinc/12/42/01/378124201.db2.gz RWVRMHXBNKMGHC-WZRBSPASSA-N 1 1 261.394 3.168 20 30 CGEDMO N#CCCC1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000579833187 378200648 /nfs/dbraw/zinc/20/06/48/378200648.db2.gz MFQUZNLGCNPWBK-IBGZPJMESA-N 1 1 297.446 3.277 20 30 CGEDMO N#CCCC1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000579833187 378200654 /nfs/dbraw/zinc/20/06/54/378200654.db2.gz MFQUZNLGCNPWBK-IBGZPJMESA-N 1 1 297.446 3.277 20 30 CGEDMO CCS[C@H]1CCCC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000579907668 378205733 /nfs/dbraw/zinc/20/57/33/378205733.db2.gz IXDVARXRBLQWSB-HNNXBMFYSA-N 1 1 275.421 3.061 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H](CO)C2)cc1Cl ZINC000269344033 378209374 /nfs/dbraw/zinc/20/93/74/378209374.db2.gz HISJGSPEQDKOMA-AWEZNQCLSA-N 1 1 295.810 3.109 20 30 CGEDMO Cc1ncc2c(n1)CC[N@@H+](CCC1(C#N)CCCCC1)C2 ZINC000580046119 378219438 /nfs/dbraw/zinc/21/94/38/378219438.db2.gz FVMWETVPELUSQA-UHFFFAOYSA-N 1 1 284.407 3.007 20 30 CGEDMO Cc1ncc2c(n1)CC[N@H+](CCC1(C#N)CCCCC1)C2 ZINC000580046119 378219439 /nfs/dbraw/zinc/21/94/39/378219439.db2.gz FVMWETVPELUSQA-UHFFFAOYSA-N 1 1 284.407 3.007 20 30 CGEDMO C=C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000580902702 378267152 /nfs/dbraw/zinc/26/71/52/378267152.db2.gz NEPONAVPJPLTIY-MSOLQXFVSA-N 1 1 298.430 3.076 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)C2CCC(CO)CC2)cc1 ZINC000580978696 378272750 /nfs/dbraw/zinc/27/27/50/378272750.db2.gz HQVREPHMFAPRSF-UHFFFAOYSA-N 1 1 289.419 3.234 20 30 CGEDMO C=CCN(C(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)C1CC1 ZINC000583271620 378318074 /nfs/dbraw/zinc/31/80/74/378318074.db2.gz KLABKJHOMNWFOU-OAHLLOKOSA-N 1 1 292.810 3.120 20 30 CGEDMO C#CCCC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000271059640 378443343 /nfs/dbraw/zinc/44/33/43/378443343.db2.gz SEVFPAPIOSWTBJ-CVEARBPZSA-N 1 1 275.392 3.361 20 30 CGEDMO C#CCCC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000271059642 378443523 /nfs/dbraw/zinc/44/35/23/378443523.db2.gz SEVFPAPIOSWTBJ-HOTGVXAUSA-N 1 1 275.392 3.361 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+]1CC[S@](=O)C(CC)(CC)C1 ZINC000346034993 378445755 /nfs/dbraw/zinc/44/57/55/378445755.db2.gz SLDMJZRXRFKPBH-KSSFIOAISA-N 1 1 271.470 3.354 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCC3(CCOCC3)C2)s1 ZINC000271157658 378464682 /nfs/dbraw/zinc/46/46/82/378464682.db2.gz BUXYIMFYKWNGTP-UHFFFAOYSA-N 1 1 276.405 3.012 20 30 CGEDMO C#CCCC[N@H+](C)[C@@H]1CCCc2nc(CC)sc21 ZINC000271008150 378426845 /nfs/dbraw/zinc/42/68/45/378426845.db2.gz HKLDRXDCIKNNTD-CYBMUJFWSA-N 1 1 262.422 3.428 20 30 CGEDMO CN(C)c1ccc(C[N@@H+](Cc2ccc(C#N)o2)C2CC2)cc1 ZINC000271026226 378431819 /nfs/dbraw/zinc/43/18/19/378431819.db2.gz ALTPWBKGHLOOMC-UHFFFAOYSA-N 1 1 295.386 3.382 20 30 CGEDMO Cc1noc(C)c1C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000271932767 378522283 /nfs/dbraw/zinc/52/22/83/378522283.db2.gz JBKPIWDZOIUMKG-SECBINFHSA-N 1 1 273.311 3.153 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cccn(C(F)F)c1=O ZINC000638094547 378696388 /nfs/dbraw/zinc/69/63/88/378696388.db2.gz JJGFZWYWTFRNSO-UHFFFAOYSA-N 1 1 284.350 3.422 20 30 CGEDMO C=CC[C@H](C)[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272878646 378717378 /nfs/dbraw/zinc/71/73/78/378717378.db2.gz XIPHUXRREXOHDZ-LZLYRXPVSA-N 1 1 272.436 3.451 20 30 CGEDMO C=CCOCCC[N@@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000348035405 378760245 /nfs/dbraw/zinc/76/02/45/378760245.db2.gz OGSZCHZQKDCNHN-DOTOQJQBSA-N 1 1 275.392 3.041 20 30 CGEDMO CC[C@H](CC#N)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000273875451 378760546 /nfs/dbraw/zinc/76/05/46/378760546.db2.gz PMEAMMZAEMWWDK-JQHSSLGASA-N 1 1 285.435 3.321 20 30 CGEDMO C#CC[N@H+](Cc1ccc(SC)c(OC)c1)C1CC1 ZINC000274009759 378763612 /nfs/dbraw/zinc/76/36/12/378763612.db2.gz AMIBCZISMVYOCA-UHFFFAOYSA-N 1 1 261.390 3.015 20 30 CGEDMO C=CCOCCC[N@@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000348048662 378766522 /nfs/dbraw/zinc/76/65/22/378766522.db2.gz NLIWOFMZDNRQMO-UHFFFAOYSA-N 1 1 285.391 3.101 20 30 CGEDMO C=CCOCCC[N@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000348048662 378766533 /nfs/dbraw/zinc/76/65/33/378766533.db2.gz NLIWOFMZDNRQMO-UHFFFAOYSA-N 1 1 285.391 3.101 20 30 CGEDMO C=CCOCCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000348051066 378768374 /nfs/dbraw/zinc/76/83/74/378768374.db2.gz QLBZEWYUUGFDKC-UHFFFAOYSA-N 1 1 290.363 3.152 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000274048184 378769701 /nfs/dbraw/zinc/76/97/01/378769701.db2.gz FRLLMWSNBQHZRY-INIZCTEOSA-N 1 1 267.376 3.124 20 30 CGEDMO C=CCOc1cccc(C[N@H+](CC2CCC2)[C@H](C)CO)c1 ZINC000348284364 378883407 /nfs/dbraw/zinc/88/34/07/378883407.db2.gz HVWLNNNJNOJVBY-OAHLLOKOSA-N 1 1 289.419 3.234 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(OC)cc1Br ZINC000348404958 378942518 /nfs/dbraw/zinc/94/25/18/378942518.db2.gz JSQFNPDTEGETGO-UHFFFAOYSA-N 1 1 284.197 3.466 20 30 CGEDMO N#Cc1ccc(C[N@@H+](Cc2cncc(F)c2)C2CC2)cc1 ZINC000275146388 378943723 /nfs/dbraw/zinc/94/37/23/378943723.db2.gz QMFPYNWNODOKCF-UHFFFAOYSA-N 1 1 281.334 3.257 20 30 CGEDMO N#Cc1ccc(C[N@H+](Cc2cncc(F)c2)C2CC2)cc1 ZINC000275146388 378943727 /nfs/dbraw/zinc/94/37/27/378943727.db2.gz QMFPYNWNODOKCF-UHFFFAOYSA-N 1 1 281.334 3.257 20 30 CGEDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1cc(C#N)cs1 ZINC000348548285 378987861 /nfs/dbraw/zinc/98/78/61/378987861.db2.gz QKSUHQZNSNEUBC-TZMCWYRMSA-N 1 1 278.421 3.135 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)cc1C#N ZINC000276740400 378990167 /nfs/dbraw/zinc/99/01/67/378990167.db2.gz IUPHSKYBBRIOAA-KRWDZBQOSA-N 1 1 283.350 3.373 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000347225181 218161427 /nfs/dbraw/zinc/16/14/27/218161427.db2.gz FOJBRWPSSVYYJH-SFHVURJKSA-N 1 1 292.382 3.384 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](CCc3ccccn3)CC2)cc1 ZINC000371336382 379142222 /nfs/dbraw/zinc/14/22/22/379142222.db2.gz QPCQTXPIBCMQEU-UHFFFAOYSA-N 1 1 289.382 3.285 20 30 CGEDMO C=CCCCCNC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000373504341 379289957 /nfs/dbraw/zinc/28/99/57/379289957.db2.gz KNBJJQLHROVHMG-UHFFFAOYSA-N 1 1 293.455 3.003 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@H](C)c2cnc(C)nc2C)C1 ZINC000639310041 379261475 /nfs/dbraw/zinc/26/14/75/379261475.db2.gz NNYXAPGKKSIEKG-HIFRSBDPSA-N 1 1 259.397 3.443 20 30 CGEDMO COC(=O)c1coc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)c1 ZINC000278229093 379323247 /nfs/dbraw/zinc/32/32/47/379323247.db2.gz KEIFXJPKSSCAKF-VXGBXAGGSA-N 1 1 298.342 3.350 20 30 CGEDMO C[N@H+]1CCC[C@H]1CCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000374301770 379413110 /nfs/dbraw/zinc/41/31/10/379413110.db2.gz LBLQLLOCOITGPJ-IBGZPJMESA-N 1 1 295.430 3.132 20 30 CGEDMO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000349851572 379422215 /nfs/dbraw/zinc/42/22/15/379422215.db2.gz HQDHRBFOCBXDRT-RDTXWAMCSA-N 1 1 292.382 3.180 20 30 CGEDMO Cc1cc(C)c(C#N)c(N[C@H]2C[N@H+](C)Cc3ccccc32)n1 ZINC000374337829 379424215 /nfs/dbraw/zinc/42/42/15/379424215.db2.gz AQNWJKVEHPHLNG-KRWDZBQOSA-N 1 1 292.386 3.169 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)CCSc2ccccc2)n1 ZINC000279825028 379527383 /nfs/dbraw/zinc/52/73/83/379527383.db2.gz YYEPYFCNAWBQJI-UHFFFAOYSA-N 1 1 299.443 3.131 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)CCSc2ccccc2)n1 ZINC000279825028 379527393 /nfs/dbraw/zinc/52/73/93/379527393.db2.gz YYEPYFCNAWBQJI-UHFFFAOYSA-N 1 1 299.443 3.131 20 30 CGEDMO C=C1CC[NH+](Cc2ccnn2-c2ccccc2)CC1 ZINC000279822326 379524496 /nfs/dbraw/zinc/52/44/96/379524496.db2.gz MGHBFGJEUSMSEC-UHFFFAOYSA-N 1 1 253.349 3.024 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000639798347 379591231 /nfs/dbraw/zinc/59/12/31/379591231.db2.gz XHNNYLUBEYKRKZ-AWEZNQCLSA-N 1 1 259.397 3.254 20 30 CGEDMO C=CCC[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000352215097 379754439 /nfs/dbraw/zinc/75/44/39/379754439.db2.gz ZWPBNYSORUBMKN-UHFFFAOYSA-N 1 1 261.209 3.379 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)s1 ZINC000377836196 379748295 /nfs/dbraw/zinc/74/82/95/379748295.db2.gz ZPHYWYFJVBUQGJ-UONOGXRCSA-N 1 1 290.432 3.258 20 30 CGEDMO COC[C@@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000267378588 190325757 /nfs/dbraw/zinc/32/57/57/190325757.db2.gz LWMIDBJDTYWICI-CQSZACIVSA-N 1 1 297.320 3.025 20 30 CGEDMO N#CC1(F)CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000352448399 379817992 /nfs/dbraw/zinc/81/79/92/379817992.db2.gz GWFYXFBFZIVISL-UHFFFAOYSA-N 1 1 258.296 3.260 20 30 CGEDMO C=CCCC[C@@H](C)NC(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC000640613331 379822928 /nfs/dbraw/zinc/82/29/28/379822928.db2.gz TUMQMIUTJNAAPD-CYBMUJFWSA-N 1 1 290.411 3.010 20 30 CGEDMO COc1cc(C[N@@H+](C)[C@H](C)c2cccc(O)c2)ccc1C#N ZINC000282387333 379908880 /nfs/dbraw/zinc/90/88/80/379908880.db2.gz QYMBRZDMAFYPIA-CYBMUJFWSA-N 1 1 296.370 3.465 20 30 CGEDMO CCc1cc(C#N)ccc1OCCCn1cc[nH+]c1C ZINC000282490108 379929962 /nfs/dbraw/zinc/92/99/62/379929962.db2.gz UPLOFKCFYWAZBU-UHFFFAOYSA-N 1 1 269.348 3.095 20 30 CGEDMO CC[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C1CCC1 ZINC000352608498 379875467 /nfs/dbraw/zinc/87/54/67/379875467.db2.gz LTGAROMUZYXDQQ-UHFFFAOYSA-N 1 1 294.402 3.333 20 30 CGEDMO CCOC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2)o1 ZINC000267647165 190343669 /nfs/dbraw/zinc/34/36/69/190343669.db2.gz LOUOZIDPWXABMQ-GFCCVEGCSA-N 1 1 298.342 3.179 20 30 CGEDMO Cc1cc([C@@H](C)[NH2+]Cc2nc(C#N)cs2)ccc1F ZINC000352809022 379973382 /nfs/dbraw/zinc/97/33/82/379973382.db2.gz FHTCPICEPHMYLP-SNVBAGLBSA-N 1 1 275.352 3.313 20 30 CGEDMO Cc1ccoc1C[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000404282677 379980796 /nfs/dbraw/zinc/98/07/96/379980796.db2.gz WCJPGJYUPFYKLW-UHFFFAOYSA-N 1 1 258.296 3.231 20 30 CGEDMO Cc1ccoc1C[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000404282677 379980805 /nfs/dbraw/zinc/98/08/05/379980805.db2.gz WCJPGJYUPFYKLW-UHFFFAOYSA-N 1 1 258.296 3.231 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1nccs1 ZINC000399206796 379936729 /nfs/dbraw/zinc/93/67/29/379936729.db2.gz WDJTWZWOKMXQKV-NSHDSACASA-N 1 1 257.362 3.060 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1cccc2nccn21 ZINC000352929872 380045145 /nfs/dbraw/zinc/04/51/45/380045145.db2.gz IOPLDZWULZEJMR-UHFFFAOYSA-N 1 1 281.359 3.158 20 30 CGEDMO N#CCC[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000411348364 380142848 /nfs/dbraw/zinc/14/28/48/380142848.db2.gz DKXVVFUGAXUILQ-UHFFFAOYSA-N 1 1 279.181 3.332 20 30 CGEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1ncc(C#N)cc1F ZINC000413237666 380175635 /nfs/dbraw/zinc/17/56/35/380175635.db2.gz XRBJDGGRRYXDLX-CYBMUJFWSA-N 1 1 298.365 3.025 20 30 CGEDMO CC(C)(CC#N)C[NH2+][C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000414163994 380196104 /nfs/dbraw/zinc/19/61/04/380196104.db2.gz JPUAXVUHDMVAAO-INIZCTEOSA-N 1 1 298.365 3.235 20 30 CGEDMO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2cccc(C#N)c2)C1(C)C ZINC000353936141 380244634 /nfs/dbraw/zinc/24/46/34/380244634.db2.gz YKBOPZSDWBOOHA-RDJZCZTQSA-N 1 1 272.392 3.194 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000643391194 380303733 /nfs/dbraw/zinc/30/37/33/380303733.db2.gz WWWIFSLLLOSOHG-IEBWSBKVSA-N 1 1 285.431 3.106 20 30 CGEDMO CC[N@@H+](CCC1CC1)Cc1cc(C#N)ccc1OC ZINC000355062597 380571084 /nfs/dbraw/zinc/57/10/84/380571084.db2.gz QIBYUZOOUVOYMS-UHFFFAOYSA-N 1 1 258.365 3.189 20 30 CGEDMO C=CCOCC[N@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000645081432 380572962 /nfs/dbraw/zinc/57/29/62/380572962.db2.gz KJRPCCQWUIBRLR-ROUUACIJSA-N 1 1 289.419 3.289 20 30 CGEDMO C=CCOCC[N@H+](Cc1cccc(OC)c1)CC(C)C ZINC000645080723 380574014 /nfs/dbraw/zinc/57/40/14/380574014.db2.gz BWXMFSXVEKDEQB-UHFFFAOYSA-N 1 1 277.408 3.356 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000419296325 380796056 /nfs/dbraw/zinc/79/60/56/380796056.db2.gz DSVDPGUFHOAGSU-OAHLLOKOSA-N 1 1 281.346 3.174 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)cc1F ZINC000421382302 380925599 /nfs/dbraw/zinc/92/55/99/380925599.db2.gz MNMIYFCTZSNDST-DOTOQJQBSA-N 1 1 270.351 3.318 20 30 CGEDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC000334782048 207067189 /nfs/dbraw/zinc/06/71/89/207067189.db2.gz UKEPXTBZWOVLRH-KCJUWKMLSA-N 1 1 274.311 3.392 20 30 CGEDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)s1 ZINC000334782048 207067192 /nfs/dbraw/zinc/06/71/92/207067192.db2.gz UKEPXTBZWOVLRH-KCJUWKMLSA-N 1 1 274.311 3.392 20 30 CGEDMO N#Cc1ncccc1NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000357519424 381190816 /nfs/dbraw/zinc/19/08/16/381190816.db2.gz XOYLLSNIYOBHDB-MRXNPFEDSA-N 1 1 292.386 3.030 20 30 CGEDMO CCCC[N@@H+](C)C[C@@H](C)Nc1nc(C)c(C#N)cc1Cl ZINC000359951933 381384979 /nfs/dbraw/zinc/38/49/79/381384979.db2.gz GPPRGJMEVDVESJ-LLVKDONJSA-N 1 1 294.830 3.447 20 30 CGEDMO N#Cc1csc(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)c1 ZINC000334839132 207164350 /nfs/dbraw/zinc/16/43/50/207164350.db2.gz NYSOJSDRWVOWME-CQSZACIVSA-N 1 1 258.390 3.384 20 30 CGEDMO C[N@@H+](CCCc1ccncc1)Cc1ccc(C#N)cc1 ZINC000360451166 381545899 /nfs/dbraw/zinc/54/58/99/381545899.db2.gz YQBYGFYVFWLSOW-UHFFFAOYSA-N 1 1 265.360 3.018 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)CCCC1CCOCC1 ZINC000361467663 381758422 /nfs/dbraw/zinc/75/84/22/381758422.db2.gz XVHDXJNIOBVJQF-UHFFFAOYSA-N 1 1 266.429 3.455 20 30 CGEDMO N#CCCCC[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000361479585 381764343 /nfs/dbraw/zinc/76/43/43/381764343.db2.gz SUWQAUJALICAEQ-HNNXBMFYSA-N 1 1 260.406 3.470 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+](CC2CC2)C2CCC2)c1 ZINC000361581120 381818495 /nfs/dbraw/zinc/81/84/95/381818495.db2.gz FRJQJGBLVDTAPY-UHFFFAOYSA-N 1 1 258.340 3.462 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cccc(SCC)c1 ZINC000361637654 381849067 /nfs/dbraw/zinc/84/90/67/381849067.db2.gz KWWHBALPVGYMDS-UHFFFAOYSA-N 1 1 265.422 3.433 20 30 CGEDMO CCCCOC1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000362454963 381999942 /nfs/dbraw/zinc/99/99/42/381999942.db2.gz RHUBNRPIOIWIOJ-UHFFFAOYSA-N 1 1 290.382 3.478 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC(C)(C)C2)c1C ZINC000362409373 381980676 /nfs/dbraw/zinc/98/06/76/381980676.db2.gz GMVBQESRBPNPIL-UHFFFAOYSA-N 1 1 274.408 3.206 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC(C)(C)C2)c1C ZINC000362409373 381980682 /nfs/dbraw/zinc/98/06/82/381980682.db2.gz GMVBQESRBPNPIL-UHFFFAOYSA-N 1 1 274.408 3.206 20 30 CGEDMO CCSCC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000362424251 381985885 /nfs/dbraw/zinc/98/58/85/381985885.db2.gz HDFAHFCXEHOWDK-UHFFFAOYSA-N 1 1 272.417 3.400 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000367831712 382358119 /nfs/dbraw/zinc/35/81/19/382358119.db2.gz KCMPYUIQABRAFL-OAHLLOKOSA-N 1 1 264.413 3.065 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)o1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000353748549 220302409 /nfs/dbraw/zinc/30/24/09/220302409.db2.gz QQZKMCXMMGQVST-OAGGEKHMSA-N 1 1 288.391 3.177 20 30 CGEDMO CN(C)c1ccccc1C[N@H+](C)Cc1ccc(C#N)cc1F ZINC000288773461 197162137 /nfs/dbraw/zinc/16/21/37/197162137.db2.gz ILZQLFCZYAXPDP-UHFFFAOYSA-N 1 1 297.377 3.395 20 30 CGEDMO CN(C)c1ccccc1C[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000288773461 197162139 /nfs/dbraw/zinc/16/21/39/197162139.db2.gz ILZQLFCZYAXPDP-UHFFFAOYSA-N 1 1 297.377 3.395 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)N[C@H](c1ccccc1)C(C)C ZINC000302912703 542415636 /nfs/dbraw/zinc/41/56/36/542415636.db2.gz FLAZPDMUMMLOGP-SFHVURJKSA-N 1 1 288.435 3.398 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000184086981 262269093 /nfs/dbraw/zinc/26/90/93/262269093.db2.gz FQYMEONAGRPYSS-NSHDSACASA-N 1 1 272.270 3.367 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(C#N)cc1F ZINC000358575338 533450746 /nfs/dbraw/zinc/45/07/46/533450746.db2.gz SGNBJTBAHBKKNC-LLVKDONJSA-N 1 1 299.305 3.456 20 30 CGEDMO Cn1cc(C[N@@H+](Cc2ccc(F)cc2)C2CC2)cc1C#N ZINC000191150145 130191282 /nfs/dbraw/zinc/19/12/82/130191282.db2.gz QSXWOEUTJQSJNW-UHFFFAOYSA-N 1 1 283.350 3.200 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)CCS1 ZINC000192178213 130389311 /nfs/dbraw/zinc/38/93/11/130389311.db2.gz AWTVBCQJAPASAQ-NSHDSACASA-N 1 1 264.369 3.025 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000285822736 392335729 /nfs/dbraw/zinc/33/57/29/392335729.db2.gz GUOAMRRODQWRFP-BZUAXINKSA-N 1 1 277.795 3.243 20 30 CGEDMO CCCO[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000108391570 392342131 /nfs/dbraw/zinc/34/21/31/392342131.db2.gz KARIEORTJCLVEZ-KRWDZBQOSA-N 1 1 272.392 3.339 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1nccn1Cc1ccccc1 ZINC000114712553 392386802 /nfs/dbraw/zinc/38/68/02/392386802.db2.gz AZUGAUFXJZEJLT-UHFFFAOYSA-N 1 1 269.392 3.329 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1nccn1Cc1ccccc1 ZINC000114712553 392386805 /nfs/dbraw/zinc/38/68/05/392386805.db2.gz AZUGAUFXJZEJLT-UHFFFAOYSA-N 1 1 269.392 3.329 20 30 CGEDMO C=CCCC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000263966133 131370746 /nfs/dbraw/zinc/37/07/46/131370746.db2.gz GIMSKOLQYIPWML-AWEZNQCLSA-N 1 1 280.799 3.025 20 30 CGEDMO C[C@H](N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccc(C#N)cc1 ZINC000362232812 392413357 /nfs/dbraw/zinc/41/33/57/392413357.db2.gz CXYURWCSVCCAAI-YOEHRIQHSA-N 1 1 283.419 3.226 20 30 CGEDMO C[C@H]([NH2+][C@H]1CCN(C2CCCC2)C1)c1ccc(C#N)cc1 ZINC000362232812 392413360 /nfs/dbraw/zinc/41/33/60/392413360.db2.gz CXYURWCSVCCAAI-YOEHRIQHSA-N 1 1 283.419 3.226 20 30 CGEDMO CC(C)(C)[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000264175468 131406520 /nfs/dbraw/zinc/40/65/20/131406520.db2.gz IUYIWNBSXSWTFV-MRXNPFEDSA-N 1 1 299.418 3.397 20 30 CGEDMO CCc1nc(C)c([C@@H](C)[N@@H+](C)CCCC#N)s1 ZINC000122155783 392418691 /nfs/dbraw/zinc/41/86/91/392418691.db2.gz MSFZEMLJOMUTHS-LLVKDONJSA-N 1 1 251.399 3.311 20 30 CGEDMO C#C[C@H](C)[NH2+]Cc1csc(-c2ccc(C)cc2)n1 ZINC000289317674 392420953 /nfs/dbraw/zinc/42/09/53/392420953.db2.gz FKEQVIUIWQOWRK-LBPRGKRZSA-N 1 1 256.374 3.230 20 30 CGEDMO C=CCOc1cccc(CN(C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000122760637 392423412 /nfs/dbraw/zinc/42/34/12/392423412.db2.gz CQHLYUBQBPDUMW-KRWDZBQOSA-N 1 1 288.435 3.025 20 30 CGEDMO N#CCCC[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000363501877 392429675 /nfs/dbraw/zinc/42/96/75/392429675.db2.gz DIBUQYXIHZLEOT-AWEZNQCLSA-N 1 1 250.292 3.405 20 30 CGEDMO N#CCCC[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000363501877 392429679 /nfs/dbraw/zinc/42/96/79/392429679.db2.gz DIBUQYXIHZLEOT-AWEZNQCLSA-N 1 1 250.292 3.405 20 30 CGEDMO C[C@H]1C[N@H+](CC#Cc2ccc(F)cc2)CCC1(F)F ZINC000289752414 392431949 /nfs/dbraw/zinc/43/19/49/392431949.db2.gz KEMOHWVUZCGTFS-LBPRGKRZSA-N 1 1 267.294 3.154 20 30 CGEDMO C[C@H]1C[N@@H+](CC#Cc2ccc(F)cc2)CCC1(F)F ZINC000289752414 392431953 /nfs/dbraw/zinc/43/19/53/392431953.db2.gz KEMOHWVUZCGTFS-LBPRGKRZSA-N 1 1 267.294 3.154 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000123956642 392432642 /nfs/dbraw/zinc/43/26/42/392432642.db2.gz PADFGZGWROTYES-INIZCTEOSA-N 1 1 299.418 3.220 20 30 CGEDMO N#Cc1cccc([C@H]2C[N@@H+](CC3CCCC3)CCO2)c1 ZINC000362057437 392397954 /nfs/dbraw/zinc/39/79/54/392397954.db2.gz BHPSDHZCBSFFKB-QGZVFWFLSA-N 1 1 270.376 3.122 20 30 CGEDMO CCCC(N)=[NH+]OCc1nc(C(C)(C)C)cs1 ZINC000120947070 392404639 /nfs/dbraw/zinc/40/46/39/392404639.db2.gz QLZMJJJOZAYDHD-UHFFFAOYSA-N 1 1 255.387 3.030 20 30 CGEDMO CCC[N@@H+](CCCC#N)[C@H]1C[C@H](OCC)C1(C)C ZINC000121071373 392407036 /nfs/dbraw/zinc/40/70/36/392407036.db2.gz HZMHNNWSWOSXFZ-KBPBESRZSA-N 1 1 252.402 3.206 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)N(C(C)C)C1CCCC1 ZINC000121137260 392409255 /nfs/dbraw/zinc/40/92/55/392409255.db2.gz QRRUSNTXHJHEML-UHFFFAOYSA-N 1 1 266.429 3.064 20 30 CGEDMO C=CCCC[N@H+](C)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000135241150 392474829 /nfs/dbraw/zinc/47/48/29/392474829.db2.gz XVOFRKMULSXQCI-UHFFFAOYSA-N 1 1 293.317 3.413 20 30 CGEDMO C[C@@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C#N)o1 ZINC000294998627 392541047 /nfs/dbraw/zinc/54/10/47/392541047.db2.gz LCQWIGYFSLVIMZ-NXEZZACHSA-N 1 1 272.270 3.314 20 30 CGEDMO C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)o1 ZINC000294998627 392541053 /nfs/dbraw/zinc/54/10/53/392541053.db2.gz LCQWIGYFSLVIMZ-NXEZZACHSA-N 1 1 272.270 3.314 20 30 CGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCCC(C)(C)C1 ZINC000158128378 392556235 /nfs/dbraw/zinc/55/62/35/392556235.db2.gz JDGIRJKUDLKGGP-UHFFFAOYSA-N 1 1 288.391 3.068 20 30 CGEDMO Cc1ccc(N(C)[C@@H]2CCC[N@@H+](CCCC#N)C2)cc1 ZINC000372352093 392601638 /nfs/dbraw/zinc/60/16/38/392601638.db2.gz XAONKLWGGHXMMA-QGZVFWFLSA-N 1 1 271.408 3.199 20 30 CGEDMO CSCCC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000372415500 392608818 /nfs/dbraw/zinc/60/88/18/392608818.db2.gz HHIPJHIVHPZFQJ-UHFFFAOYSA-N 1 1 272.417 3.400 20 30 CGEDMO CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc2[nH]cnc2c1 ZINC000329494443 392683986 /nfs/dbraw/zinc/68/39/86/392683986.db2.gz ILQVTBLNECXYFF-AWEZNQCLSA-N 1 1 272.352 3.025 20 30 CGEDMO Cc1ccc(N[C@@H](C)C[N@@H+](C)Cc2ccccc2)nc1C#N ZINC000302739035 392619991 /nfs/dbraw/zinc/61/99/91/392619991.db2.gz BYJDPGKRDBEHEM-HNNXBMFYSA-N 1 1 294.402 3.194 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000302752464 392620111 /nfs/dbraw/zinc/62/01/11/392620111.db2.gz YLVUSQZIVUYQBJ-CQSZACIVSA-N 1 1 292.398 3.071 20 30 CGEDMO CCC1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000330797001 392695494 /nfs/dbraw/zinc/69/54/94/392695494.db2.gz GCFGWJVAVXJQGO-OAHLLOKOSA-N 1 1 271.364 3.257 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000186164799 392778507 /nfs/dbraw/zinc/77/85/07/392778507.db2.gz WMBBBKIZDSQCHE-UHFFFAOYSA-N 1 1 294.354 3.227 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000338376985 392912647 /nfs/dbraw/zinc/91/26/47/392912647.db2.gz SQGYYILEIWZKAH-WMZOPIPTSA-N 1 1 298.430 3.189 20 30 CGEDMO CC1CC[NH+](C[C@@H]2CCCN([C@@H]3CC[C@@H](C#N)C3)C2)CC1 ZINC000338942726 392936640 /nfs/dbraw/zinc/93/66/40/392936640.db2.gz OAWBMOAEZLAIRN-FGTMMUONSA-N 1 1 289.467 3.123 20 30 CGEDMO C[C@@H]1CC[C@@H]([N@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459436011 392944259 /nfs/dbraw/zinc/94/42/59/392944259.db2.gz YHSGAAATZKERTN-DGCLKSJQSA-N 1 1 273.336 3.087 20 30 CGEDMO C[C@@H]1CC[C@@H]([N@@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459436011 392944262 /nfs/dbraw/zinc/94/42/62/392944262.db2.gz YHSGAAATZKERTN-DGCLKSJQSA-N 1 1 273.336 3.087 20 30 CGEDMO CC(C)[C@H]1CCC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459296888 392939431 /nfs/dbraw/zinc/93/94/31/392939431.db2.gz HJVRLHJOHIOOHR-CQSZACIVSA-N 1 1 273.336 3.087 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)C1CC(C)(C)C1 ZINC000395363366 392941182 /nfs/dbraw/zinc/94/11/82/392941182.db2.gz GRFNHKCCQGHNNL-UHFFFAOYSA-N 1 1 285.391 3.007 20 30 CGEDMO N#CC1(CC[N@@H+]2CCc3ncsc3C2)CCCCC1 ZINC000411611206 392982079 /nfs/dbraw/zinc/98/20/79/392982079.db2.gz NKBUKEXLBBQVJB-UHFFFAOYSA-N 1 1 275.421 3.365 20 30 CGEDMO N#CC1(CC[N@H+]2CCc3ncsc3C2)CCCCC1 ZINC000411611206 392982085 /nfs/dbraw/zinc/98/20/85/392982085.db2.gz NKBUKEXLBBQVJB-UHFFFAOYSA-N 1 1 275.421 3.365 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000411686241 392983379 /nfs/dbraw/zinc/98/33/79/392983379.db2.gz XCRQULHVXQFATP-XJKSGUPXSA-N 1 1 260.356 3.481 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000411677765 392984749 /nfs/dbraw/zinc/98/47/49/392984749.db2.gz RYBACEPDOCFRPL-IVSAIRAKSA-N 1 1 276.424 3.348 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000411688036 392984903 /nfs/dbraw/zinc/98/49/03/392984903.db2.gz HPQOXFNUZZUBON-LSDHHAIUSA-N 1 1 286.423 3.091 20 30 CGEDMO N#CC1(CC[N@@H+]2CC[C@H](COC(F)F)C2)CCCCC1 ZINC000411726074 392985882 /nfs/dbraw/zinc/98/58/82/392985882.db2.gz JDIYCKJHKZYDOX-ZDUSSCGKSA-N 1 1 286.366 3.412 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c1F ZINC000219523494 393002264 /nfs/dbraw/zinc/00/22/64/393002264.db2.gz LZQBHISUYIIFNC-DOMZBBRYSA-N 1 1 258.340 3.462 20 30 CGEDMO COCC1(C#N)CCN(c2cc[nH+]c3ccsc32)CC1 ZINC000343138511 393019861 /nfs/dbraw/zinc/01/98/61/393019861.db2.gz IEPXDMAGZPNXMC-UHFFFAOYSA-N 1 1 287.388 3.053 20 30 CGEDMO CC(C)Oc1ccc(C[NH2+]CC2(C#N)CCC2)cc1 ZINC000258874753 393138233 /nfs/dbraw/zinc/13/82/33/393138233.db2.gz IGOLFOKEQHZIGY-UHFFFAOYSA-N 1 1 258.365 3.257 20 30 CGEDMO C[C@H](O)C[N@@H+](Cc1ccc(C#N)cc1)C1CCCCC1 ZINC000263795405 393153647 /nfs/dbraw/zinc/15/36/47/393153647.db2.gz RURJDKJFZALAEV-AWEZNQCLSA-N 1 1 272.392 3.074 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](C[C@H]1CCCO1)C1CCC(C)CC1 ZINC000351329129 393182421 /nfs/dbraw/zinc/18/24/21/393182421.db2.gz OJVPXEJLENDMBS-ZGUYJTEBSA-N 1 1 295.467 3.373 20 30 CGEDMO CC[C@@H](NCC[N@H+](CC)C1CC1)c1ccc(C#N)cc1 ZINC000278717466 393324226 /nfs/dbraw/zinc/32/42/26/393324226.db2.gz LZWJSSUTPZVNAO-QGZVFWFLSA-N 1 1 271.408 3.083 20 30 CGEDMO CC[C@@H](NCC[N@@H+](CC)C1CC1)c1ccc(C#N)cc1 ZINC000278717466 393324229 /nfs/dbraw/zinc/32/42/29/393324229.db2.gz LZWJSSUTPZVNAO-QGZVFWFLSA-N 1 1 271.408 3.083 20 30 CGEDMO CC[N@@H+](Cc1cc(C#N)cs1)[C@@H]1CCOC(C)(C)C1 ZINC000356238127 393392996 /nfs/dbraw/zinc/39/29/96/393392996.db2.gz MGTPWZZUGHZNAT-CYBMUJFWSA-N 1 1 278.421 3.399 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@@H]2Cc2ccccc2)n1 ZINC000356088489 393356777 /nfs/dbraw/zinc/35/67/77/393356777.db2.gz OYDBTIOFGDNKMP-OAHLLOKOSA-N 1 1 283.400 3.222 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2nc(C#N)cs2)[C@@H]2CCCC[C@@H]21 ZINC000356420527 393440110 /nfs/dbraw/zinc/44/01/10/393440110.db2.gz SGAGVKNUBHHREB-RAIGVLPGSA-N 1 1 261.394 3.025 20 30 CGEDMO CCCC[N@@H+](CC)Cc1cn2ccccc2c1C#N ZINC000356456559 393450633 /nfs/dbraw/zinc/45/06/33/393450633.db2.gz GBAAJIBJONPJEO-UHFFFAOYSA-N 1 1 255.365 3.433 20 30 CGEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000429567404 393482527 /nfs/dbraw/zinc/48/25/27/393482527.db2.gz XMENNIGFTKPGJI-HIFRSBDPSA-N 1 1 288.391 3.066 20 30 CGEDMO Cc1ccc(C[N@@H+](CCO)Cc2ccc(C#N)c(C)c2)cc1 ZINC000488317805 393485919 /nfs/dbraw/zinc/48/59/19/393485919.db2.gz UEDDPYUWFYCTHY-UHFFFAOYSA-N 1 1 294.398 3.170 20 30 CGEDMO CCC[N@@H+](C)C[C@H]1CCN(Cc2ccc(C#N)c(C)c2)C1 ZINC000488438453 393513014 /nfs/dbraw/zinc/51/30/14/393513014.db2.gz GHNIOYIJIDJOMD-QGZVFWFLSA-N 1 1 285.435 3.030 20 30 CGEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)CCCC#N)cc1 ZINC000360326058 393564134 /nfs/dbraw/zinc/56/41/34/393564134.db2.gz FDRBUHUGKRIGAJ-ZDUSSCGKSA-N 1 1 296.374 3.052 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](CCO)CC1 ZINC000421014723 393575524 /nfs/dbraw/zinc/57/55/24/393575524.db2.gz KWBAVZZANMNKLA-GJZGRUSLSA-N 1 1 272.392 3.104 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421014725 393575576 /nfs/dbraw/zinc/57/55/76/393575576.db2.gz KWBAVZZANMNKLA-HUUCEWRRSA-N 1 1 272.392 3.104 20 30 CGEDMO C#CC[NH+]1CCC(c2nc(C3CCCCCC3)no2)CC1 ZINC000491633598 393697815 /nfs/dbraw/zinc/69/78/15/393697815.db2.gz UPDRTXNXQBDIEX-UHFFFAOYSA-N 1 1 287.407 3.320 20 30 CGEDMO Cc1cc(CNCC(C)(C)[NH+]2CCCCC2)ccc1C#N ZINC000443986813 393779533 /nfs/dbraw/zinc/77/95/33/393779533.db2.gz WTMNEVQPTVNJEL-UHFFFAOYSA-N 1 1 285.435 3.221 20 30 CGEDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(C#N)cc1OC ZINC000501212159 393848476 /nfs/dbraw/zinc/84/84/76/393848476.db2.gz VJWYIGYWOIOQKG-SWLSCSKDSA-N 1 1 258.365 3.187 20 30 CGEDMO OCC[C@@H]1CCCCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000671248336 543164895 /nfs/dbraw/zinc/16/48/95/543164895.db2.gz RCBCMZCJZIPKMT-KRWDZBQOSA-N 1 1 291.822 3.319 20 30 CGEDMO OCC[C@H]1CCCCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000671248306 543165228 /nfs/dbraw/zinc/16/52/28/543165228.db2.gz PTTMWGDYXSXYFE-QGZVFWFLSA-N 1 1 291.822 3.319 20 30 CGEDMO C=CCC[C@@H](N[C@H]1CC[N@H+](CC2CC2)C1)c1ccco1 ZINC000671746816 543185187 /nfs/dbraw/zinc/18/51/87/543185187.db2.gz MDXURZIMMPHIJU-JKSUJKDBSA-N 1 1 274.408 3.361 20 30 CGEDMO C=CCC[C@@H](N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccco1 ZINC000671746816 543185188 /nfs/dbraw/zinc/18/51/88/543185188.db2.gz MDXURZIMMPHIJU-JKSUJKDBSA-N 1 1 274.408 3.361 20 30 CGEDMO C[C@H](CO)C1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000649800123 397722956 /nfs/dbraw/zinc/72/29/56/397722956.db2.gz KVQQWTMLHFIJPS-CQSZACIVSA-N 1 1 291.822 3.032 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C1CCCC1 ZINC000580196747 397713608 /nfs/dbraw/zinc/71/36/08/397713608.db2.gz ATXUCDWSHAKDJB-UHFFFAOYSA-N 1 1 273.336 3.231 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCc2ccccc2[C@@H]1CC ZINC000675494837 543344138 /nfs/dbraw/zinc/34/41/38/543344138.db2.gz DSBFSJHYEFBSAV-RDJZCZTQSA-N 1 1 259.393 3.323 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000677047381 543427563 /nfs/dbraw/zinc/42/75/63/543427563.db2.gz XYMGVBDAUHUDJZ-ZDUSSCGKSA-N 1 1 273.298 3.074 20 30 CGEDMO CN(C)c1ccccc1C[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000677418173 543447993 /nfs/dbraw/zinc/44/79/93/543447993.db2.gz AOMBNIAEFIWAPB-UHFFFAOYSA-N 1 1 296.389 3.375 20 30 CGEDMO COCC#CC[N@H+]1CCCC[C@@H]1c1cc2ccccc2[nH]1 ZINC000677478576 543450311 /nfs/dbraw/zinc/45/03/11/543450311.db2.gz ATFJQEUDRTXGOA-GOSISDBHSA-N 1 1 282.387 3.345 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+](C)CCc1cccc2ccccc21 ZINC000677478212 543450487 /nfs/dbraw/zinc/45/04/87/543450487.db2.gz RLLCZAXRVBHNRF-SFHVURJKSA-N 1 1 269.388 3.251 20 30 CGEDMO CCC[N@@H+](CC#CCOC)[C@@H]1CCc2ccccc21 ZINC000677818362 543467058 /nfs/dbraw/zinc/46/70/58/543467058.db2.gz JWNVBVRVQQSWJL-QGZVFWFLSA-N 1 1 257.377 3.036 20 30 CGEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CC2(C#N)CC2)C1(CC)CC ZINC000347479069 286246293 /nfs/dbraw/zinc/24/62/93/286246293.db2.gz MLOPMLNQZMHNSG-ZIAGYGMSSA-N 1 1 264.413 3.206 20 30 CGEDMO N#Cc1cccc(OCC[N@H+]2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000087770935 165189722 /nfs/dbraw/zinc/18/97/22/165189722.db2.gz MXXNHEJYVSTCTR-RDJZCZTQSA-N 1 1 270.376 3.202 20 30 CGEDMO COc1ccc(C[N@H+](C)Cc2ccccc2F)cc1C#N ZINC000087833206 165191441 /nfs/dbraw/zinc/19/14/41/165191441.db2.gz SNEVRCQFHWKXFD-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO COc1ccc(C[N@@H+](C)Cc2ccccc2F)cc1C#N ZINC000087833206 165191443 /nfs/dbraw/zinc/19/14/43/165191443.db2.gz SNEVRCQFHWKXFD-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO CC[C@@H](CSC)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000091099358 165258158 /nfs/dbraw/zinc/25/81/58/165258158.db2.gz PVIZHGMODOQJNB-ZDUSSCGKSA-N 1 1 266.385 3.271 20 30 CGEDMO C[C@H]1CC[C@H](C)[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000174472499 165579878 /nfs/dbraw/zinc/57/98/78/165579878.db2.gz DYMQSTYIHLNDTE-RYUDHWBXSA-N 1 1 291.420 3.069 20 30 CGEDMO CCOC1CC2(C1)CC[N@@H+](Cc1ccc(C#N)cc1F)C2 ZINC000285556584 196325227 /nfs/dbraw/zinc/32/52/27/196325227.db2.gz SAVAAHSACGGEJH-UHFFFAOYSA-N 1 1 288.366 3.088 20 30 CGEDMO C=CCOCC[N@@H+]1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000339002908 262579172 /nfs/dbraw/zinc/57/91/72/262579172.db2.gz JTEWQESTZLKAQO-CVEARBPZSA-N 1 1 259.393 3.375 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000285783575 196397757 /nfs/dbraw/zinc/39/77/57/196397757.db2.gz YXLPSYDHYZXWDE-AWEZNQCLSA-N 1 1 292.386 3.142 20 30 CGEDMO C[C@@H](CN[C@@H](C)c1cccc(C#N)c1)[NH+]1CCCCC1 ZINC000038029128 174019777 /nfs/dbraw/zinc/01/97/77/174019777.db2.gz GEBDYMDZUFTHHS-GJZGRUSLSA-N 1 1 271.408 3.083 20 30 CGEDMO Cc1csc(C[NH2+][C@H](C)c2cccc(C#N)c2)n1 ZINC000038091131 174105095 /nfs/dbraw/zinc/10/50/95/174105095.db2.gz WPYPPRFGOPJXIX-LLVKDONJSA-N 1 1 257.362 3.174 20 30 CGEDMO C=C(C)C[N@@H+](C)CC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000679219749 543601466 /nfs/dbraw/zinc/60/14/66/543601466.db2.gz TZGLOHNRNHITOW-UHFFFAOYSA-N 1 1 261.409 3.280 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000679219749 543601469 /nfs/dbraw/zinc/60/14/69/543601469.db2.gz TZGLOHNRNHITOW-UHFFFAOYSA-N 1 1 261.409 3.280 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC=CCC2)cc1OC ZINC000679357274 543626196 /nfs/dbraw/zinc/62/61/96/543626196.db2.gz BNUQQOBHPJJMAC-UHFFFAOYSA-N 1 1 259.349 3.022 20 30 CGEDMO CCC#C[C@H](C)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000681412720 543787769 /nfs/dbraw/zinc/78/77/69/543787769.db2.gz RLDQYYYZDRRBHU-JENIJYKNSA-N 1 1 284.447 3.289 20 30 CGEDMO CCC#C[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000681412720 543787771 /nfs/dbraw/zinc/78/77/71/543787771.db2.gz RLDQYYYZDRRBHU-JENIJYKNSA-N 1 1 284.447 3.289 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000681480372 543789759 /nfs/dbraw/zinc/78/97/59/543789759.db2.gz ZZHJZVUGUMCOQR-MAUKXSAKSA-N 1 1 269.388 3.310 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCSC3(CCC3)CC2)C1 ZINC000334732649 225293373 /nfs/dbraw/zinc/29/33/73/225293373.db2.gz MMMLKPYIDSFIHR-CHWSQXEVSA-N 1 1 250.411 3.040 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000131346258 287376775 /nfs/dbraw/zinc/37/67/75/287376775.db2.gz NJJVFDUJFIBQCS-HNNXBMFYSA-N 1 1 272.392 3.435 20 30 CGEDMO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459354261 287391783 /nfs/dbraw/zinc/39/17/83/287391783.db2.gz SJHIJZIDIOACID-VXGBXAGGSA-N 1 1 273.336 3.229 20 30 CGEDMO C[C@H](CO)[N@@H+](CCCCC#N)C[C@@H](C)c1ccccc1 ZINC000347450642 226159355 /nfs/dbraw/zinc/15/93/55/226159355.db2.gz KOQCGBOJSKXEDT-HZPDHXFCSA-N 1 1 274.408 3.167 20 30 CGEDMO C=CCCn1cc(C[N@H+]2CCC[C@H]2C2CCCCC2)nn1 ZINC000653498933 419038383 /nfs/dbraw/zinc/03/83/83/419038383.db2.gz SVVNTEMKRQOFKJ-KRWDZBQOSA-N 1 1 288.439 3.399 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CCC[C@H]2CCCCC)nn1 ZINC000653571111 419052114 /nfs/dbraw/zinc/05/21/14/419052114.db2.gz XEGVJZNTHACAQV-MRXNPFEDSA-N 1 1 276.428 3.399 20 30 CGEDMO C=CCCn1cc(C[N@H+]2Cc3ccccc3C[C@@H]2CC)nn1 ZINC000653618778 419060296 /nfs/dbraw/zinc/06/02/96/419060296.db2.gz XIJDVQGOOMKLPH-SFHVURJKSA-N 1 1 296.418 3.191 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2Cc3ccccc3C[C@@H]2CC)nn1 ZINC000653618778 419060300 /nfs/dbraw/zinc/06/03/00/419060300.db2.gz XIJDVQGOOMKLPH-SFHVURJKSA-N 1 1 296.418 3.191 20 30 CGEDMO C=CCCC[C@@H](C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660661054 419177448 /nfs/dbraw/zinc/17/74/48/419177448.db2.gz BLWUSBHNJAXHTC-HZPDHXFCSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CCCC[C@@H](C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660661054 419177451 /nfs/dbraw/zinc/17/74/51/419177451.db2.gz BLWUSBHNJAXHTC-HZPDHXFCSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CCCC[C@@H](C)[N@@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000660661054 419177454 /nfs/dbraw/zinc/17/74/54/419177454.db2.gz BLWUSBHNJAXHTC-HZPDHXFCSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000660661054 419177456 /nfs/dbraw/zinc/17/74/56/419177456.db2.gz BLWUSBHNJAXHTC-HZPDHXFCSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CC[N@H+](CCCc1ccsc1)[C@@H](C)COC ZINC000661241477 419244733 /nfs/dbraw/zinc/24/47/33/419244733.db2.gz YYCZQVUJFJOVTE-ZDUSSCGKSA-N 1 1 253.411 3.204 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2nc(CCCC)no2)C1 ZINC000661376638 419254473 /nfs/dbraw/zinc/25/44/73/419254473.db2.gz FMBVBWWTNPKSCG-ZDUSSCGKSA-N 1 1 263.385 3.200 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2nc(CCCC)no2)C1 ZINC000661376638 419254475 /nfs/dbraw/zinc/25/44/75/419254475.db2.gz FMBVBWWTNPKSCG-ZDUSSCGKSA-N 1 1 263.385 3.200 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2nnc(C3CC3)s2)C1 ZINC000661383402 419255289 /nfs/dbraw/zinc/25/52/89/419255289.db2.gz CTOGQBKVNSLUHI-LLVKDONJSA-N 1 1 263.410 3.204 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2nnc(C3CC3)s2)C1 ZINC000661383402 419255291 /nfs/dbraw/zinc/25/52/91/419255291.db2.gz CTOGQBKVNSLUHI-LLVKDONJSA-N 1 1 263.410 3.204 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](CC[C@H]2CCCCN2C)C1 ZINC000661378493 419256132 /nfs/dbraw/zinc/25/61/32/419256132.db2.gz HOIVLLDTUHMYOD-JKSUJKDBSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](CC[C@H]2CCCCN2C)C1 ZINC000661378493 419256134 /nfs/dbraw/zinc/25/61/34/419256134.db2.gz HOIVLLDTUHMYOD-JKSUJKDBSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](CCCc2cc(CC)no2)C1 ZINC000661385885 419256310 /nfs/dbraw/zinc/25/63/10/419256310.db2.gz QNCBYVFORSOMKY-AWEZNQCLSA-N 1 1 262.397 3.458 20 30 CGEDMO C=CCCCCCN(C)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000661396600 419256830 /nfs/dbraw/zinc/25/68/30/419256830.db2.gz BHSXDGCFDHIYJW-OAHLLOKOSA-N 1 1 295.471 3.247 20 30 CGEDMO C=CCCn1cc(C[NH2+]Cc2cccc(C(C)C)c2)nn1 ZINC000657437169 419278844 /nfs/dbraw/zinc/27/88/44/419278844.db2.gz QIPFAMJJOIPQMP-UHFFFAOYSA-N 1 1 284.407 3.267 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1ccccc1CC)C(C)(C)C ZINC000661755670 419294683 /nfs/dbraw/zinc/29/46/83/419294683.db2.gz OHRFYMRQXWZKGY-UHFFFAOYSA-N 1 1 274.408 3.474 20 30 CGEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CC[C@H]3C[C@H]3C2)cc1 ZINC000661967129 419317117 /nfs/dbraw/zinc/31/71/17/419317117.db2.gz BQKRCGAVAKYOIK-KBPBESRZSA-N 1 1 295.304 3.279 20 30 CGEDMO CCc1noc(C)c1NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000330299886 228106897 /nfs/dbraw/zinc/10/68/97/228106897.db2.gz MRXZUYDYUFGEOY-GFCCVEGCSA-N 1 1 279.384 3.398 20 30 CGEDMO Cc1cc(C)n(-c2ccc(C[NH2+][C@@H]3CCC[C@H]3C#N)cc2)n1 ZINC000331605105 228114652 /nfs/dbraw/zinc/11/46/52/228114652.db2.gz BLEBPSADQRYZEK-FUHWJXTLSA-N 1 1 294.402 3.271 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)CCc1ccccc1 ZINC000662089730 419334228 /nfs/dbraw/zinc/33/42/28/419334228.db2.gz DMBXWNGRBZTBGK-FGTMMUONSA-N 1 1 271.404 3.163 20 30 CGEDMO OC[C@@H]([NH2+]CC#Cc1ccccc1Cl)c1ccsc1 ZINC000352034120 228176631 /nfs/dbraw/zinc/17/66/31/228176631.db2.gz YJCBWPQYTQJEFY-OAHLLOKOSA-N 1 1 291.803 3.076 20 30 CGEDMO C[C@H](C#N)CN(C)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000352088386 228181325 /nfs/dbraw/zinc/18/13/25/228181325.db2.gz ZLVNPMQEIZETPX-MRXNPFEDSA-N 1 1 287.451 3.236 20 30 CGEDMO C=CC[C@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000658029964 419504666 /nfs/dbraw/zinc/50/46/66/419504666.db2.gz UFAFCMSQRWRXSF-MKXAEBJUSA-N 1 1 262.441 3.336 20 30 CGEDMO C=CC[C@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000658029965 419505515 /nfs/dbraw/zinc/50/55/15/419505515.db2.gz UFAFCMSQRWRXSF-UCHQMPSGSA-N 1 1 262.441 3.336 20 30 CGEDMO C=CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000658113768 419587947 /nfs/dbraw/zinc/58/79/47/419587947.db2.gz JBQWBEHTLCEETF-BCDXTJNWSA-N 1 1 270.420 3.348 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)[C@H](C)c1ccncc1 ZINC000663693814 419682583 /nfs/dbraw/zinc/68/25/83/419682583.db2.gz XBTFHPANMXHUGP-CQSZACIVSA-N 1 1 256.349 3.466 20 30 CGEDMO N#CCCCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000363357477 260129225 /nfs/dbraw/zinc/12/92/25/260129225.db2.gz YYXSQSDXEHFZLT-IBGZPJMESA-N 1 1 297.446 3.278 20 30 CGEDMO N#CCCC[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000363357477 260129233 /nfs/dbraw/zinc/12/92/33/260129233.db2.gz YYXSQSDXEHFZLT-IBGZPJMESA-N 1 1 297.446 3.278 20 30 CGEDMO N#CCCC[N@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000363357477 260129235 /nfs/dbraw/zinc/12/92/35/260129235.db2.gz YYXSQSDXEHFZLT-IBGZPJMESA-N 1 1 297.446 3.278 20 30 CGEDMO C[C@@H]([NH2+]CC(=O)Nc1nncs1)c1ccccc1Cl ZINC000048554045 260200311 /nfs/dbraw/zinc/20/03/11/260200311.db2.gz NLSBRSAFTDTYMH-MRVPVSSYSA-N 1 1 296.783 3.130 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000363467309 260263545 /nfs/dbraw/zinc/26/35/45/260263545.db2.gz ISMUCHYWVVGGFF-OAHLLOKOSA-N 1 1 258.365 3.080 20 30 CGEDMO C[N@@H+](CCCC(C)(C)C#N)Cc1cc(C(C)(C)C)n[nH]1 ZINC000518304019 260372601 /nfs/dbraw/zinc/37/26/01/260372601.db2.gz BAIFLANSZXLXLK-UHFFFAOYSA-N 1 1 276.428 3.469 20 30 CGEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)CC1(O)CCCC1 ZINC000152036111 261058566 /nfs/dbraw/zinc/05/85/66/261058566.db2.gz UECJMCGLBVVWEU-UHFFFAOYSA-N 1 1 286.419 3.225 20 30 CGEDMO C=CCCC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000104652525 261299015 /nfs/dbraw/zinc/29/90/15/261299015.db2.gz KMTDHXJFZIJGQJ-UHFFFAOYSA-N 1 1 286.419 3.076 20 30 CGEDMO CC[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@@H]1CCOC1 ZINC000361595752 261354843 /nfs/dbraw/zinc/35/48/43/261354843.db2.gz OXALKZXIEITWHJ-OAHLLOKOSA-N 1 1 272.392 3.099 20 30 CGEDMO C=CC[C@H](CO)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000193284645 262219819 /nfs/dbraw/zinc/21/98/19/262219819.db2.gz JMGNLBJIILBCQY-DTWKUNHWSA-N 1 1 290.190 3.287 20 30 CGEDMO CC[C@@]1(C)COCC[N@H+]1CCCCC(C)(C)C#N ZINC000336783534 262394889 /nfs/dbraw/zinc/39/48/89/262394889.db2.gz ANECEQUYDGBNHV-HNNXBMFYSA-N 1 1 252.402 3.207 20 30 CGEDMO CCN1CC[C@H]([NH2+]CCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000411702668 262704299 /nfs/dbraw/zinc/70/42/99/262704299.db2.gz ZSQALBIPXKLXDS-GJZGRUSLSA-N 1 1 295.789 3.118 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1c(C)nn(C(C)(C)C)c1C ZINC000273812297 263019521 /nfs/dbraw/zinc/01/95/21/263019521.db2.gz BDBLKDWSXXACFO-ZDUSSCGKSA-N 1 1 262.401 3.037 20 30 CGEDMO C[C@@H](CCC#N)[N@H+](C)Cc1nc2ccccc2s1 ZINC000276260146 263035421 /nfs/dbraw/zinc/03/54/21/263035421.db2.gz AYEYAMMMOORELU-NSHDSACASA-N 1 1 259.378 3.420 20 30 CGEDMO C[C@@H](CCC#N)[N@@H+](C)Cc1nc2ccccc2s1 ZINC000276260146 263035422 /nfs/dbraw/zinc/03/54/22/263035422.db2.gz AYEYAMMMOORELU-NSHDSACASA-N 1 1 259.378 3.420 20 30 CGEDMO C[C@H](CCC#N)[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000276274685 263035827 /nfs/dbraw/zinc/03/58/27/263035827.db2.gz DNQICMFWMVXGRU-LLVKDONJSA-N 1 1 268.307 3.412 20 30 CGEDMO C[C@H](CCC#N)[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000276316938 263036128 /nfs/dbraw/zinc/03/61/28/263036128.db2.gz NTHZLWKQUQKIJQ-NVXWUHKLSA-N 1 1 272.392 3.012 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000276316938 263036129 /nfs/dbraw/zinc/03/61/29/263036129.db2.gz NTHZLWKQUQKIJQ-NVXWUHKLSA-N 1 1 272.392 3.012 20 30 CGEDMO C[C@H](c1ccncc1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000281151138 263066673 /nfs/dbraw/zinc/06/66/73/263066673.db2.gz BHPZUMSKTBSXGA-OAHLLOKOSA-N 1 1 287.407 3.175 20 30 CGEDMO Cn1nccc1C1=CC[N@@H+](CCCCC(C)(C)C#N)CC1 ZINC000285771952 263095732 /nfs/dbraw/zinc/09/57/32/263095732.db2.gz XZKDGFXFFCNLSM-UHFFFAOYSA-N 1 1 286.423 3.229 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](c3ccccc3F)C2)C1 ZINC000293133398 263138281 /nfs/dbraw/zinc/13/82/81/263138281.db2.gz PVLJQYAEVBAYMY-HZSPNIEDSA-N 1 1 258.340 3.307 20 30 CGEDMO COc1ccc(C[N@@H+](CCOCCC#N)C(C)(C)C)cc1 ZINC000293621259 263145013 /nfs/dbraw/zinc/14/50/13/263145013.db2.gz QHHHIJOUYWUVTR-UHFFFAOYSA-N 1 1 290.407 3.226 20 30 CGEDMO N#C[C@H]1CC[C@@H]([N@H+]2CCC=C(c3ccccc3)C2)C1 ZINC000294208906 263157850 /nfs/dbraw/zinc/15/78/50/263157850.db2.gz RSSQWNZITTVDQV-WMLDXEAASA-N 1 1 252.361 3.468 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC=C(c3ccccc3)C2)C1 ZINC000294208889 263157931 /nfs/dbraw/zinc/15/79/31/263157931.db2.gz RSSQWNZITTVDQV-PBHICJAKSA-N 1 1 252.361 3.468 20 30 CGEDMO COC[C@@]1(C)CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000296728565 263195641 /nfs/dbraw/zinc/19/56/41/263195641.db2.gz NXOMPQNHHGSMIG-SFHVURJKSA-N 1 1 286.419 3.346 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000298324551 263217698 /nfs/dbraw/zinc/21/76/98/263217698.db2.gz ZKXFXEOIOIIKHF-HZPDHXFCSA-N 1 1 270.376 3.375 20 30 CGEDMO C[C@@H](CCC#N)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000298429420 263219306 /nfs/dbraw/zinc/21/93/06/263219306.db2.gz GITINOVRUVTQBE-HKUYNNGSSA-N 1 1 297.446 3.277 20 30 CGEDMO C[C@@H](CCC#N)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000298429420 263219307 /nfs/dbraw/zinc/21/93/07/263219307.db2.gz GITINOVRUVTQBE-HKUYNNGSSA-N 1 1 297.446 3.277 20 30 CGEDMO C[C@@H](CCC#N)[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000298429420 263219308 /nfs/dbraw/zinc/21/93/08/263219308.db2.gz GITINOVRUVTQBE-HKUYNNGSSA-N 1 1 297.446 3.277 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000298429420 263219310 /nfs/dbraw/zinc/21/93/10/263219310.db2.gz GITINOVRUVTQBE-HKUYNNGSSA-N 1 1 297.446 3.277 20 30 CGEDMO N#CCC[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000298572252 263222540 /nfs/dbraw/zinc/22/25/40/263222540.db2.gz IZNKLCMNUGKOSL-UHFFFAOYSA-N 1 1 279.181 3.332 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000298826274 263226599 /nfs/dbraw/zinc/22/65/99/263226599.db2.gz GMXBYHSTAYZSNV-CABCVRRESA-N 1 1 258.365 3.080 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000299186514 263234118 /nfs/dbraw/zinc/23/41/18/263234118.db2.gz AMTNSHPHHQSLAJ-STQMWFEESA-N 1 1 278.783 3.485 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000299201823 263234881 /nfs/dbraw/zinc/23/48/81/263234881.db2.gz GGTHIISDFJBJTM-WBVHZDCISA-N 1 1 272.392 3.217 20 30 CGEDMO C=CCC[N@@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000342728559 263480492 /nfs/dbraw/zinc/48/04/92/263480492.db2.gz WYAOQVXRTKFMRW-UHFFFAOYSA-N 1 1 254.717 3.256 20 30 CGEDMO C=CCC[N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000342728559 263480494 /nfs/dbraw/zinc/48/04/94/263480494.db2.gz WYAOQVXRTKFMRW-UHFFFAOYSA-N 1 1 254.717 3.256 20 30 CGEDMO C=CCCC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000074445881 264305337 /nfs/dbraw/zinc/30/53/37/264305337.db2.gz HYXSJSRRALTOTO-QGZVFWFLSA-N 1 1 286.419 3.076 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000189528007 264305957 /nfs/dbraw/zinc/30/59/57/264305957.db2.gz YZUHPTVAHXDCRC-UHFFFAOYSA-N 1 1 285.366 3.245 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000129180928 264319243 /nfs/dbraw/zinc/31/92/43/264319243.db2.gz RSLCNXXWRZHDAP-JKSUJKDBSA-N 1 1 277.433 3.104 20 30 CGEDMO CC1CCC(OC2CC[NH+](CC3(C#N)CC3)CC2)CC1 ZINC000343318966 264794772 /nfs/dbraw/zinc/79/47/72/264794772.db2.gz HNNCVJIFBVMWEG-UHFFFAOYSA-N 1 1 276.424 3.350 20 30 CGEDMO CO[C@@]1(C)C[C@H]([N@@H+](C)CCC(C)(C)C#N)C1(C)C ZINC000345706046 265097654 /nfs/dbraw/zinc/09/76/54/265097654.db2.gz FUVFOQKNEGLJDF-WFASDCNBSA-N 1 1 252.402 3.062 20 30 CGEDMO C=CCCCCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000518902436 265204625 /nfs/dbraw/zinc/20/46/25/265204625.db2.gz AIDWCHJVHKYYTK-CVEARBPZSA-N 1 1 250.430 3.290 20 30 CGEDMO C[N@@H+](CCOc1cccc(C#N)c1)CCc1cccs1 ZINC000096478030 265368032 /nfs/dbraw/zinc/36/80/32/265368032.db2.gz KYKKWNDIVHBXDK-UHFFFAOYSA-N 1 1 286.400 3.173 20 30 CGEDMO C=CCOc1ccccc1C[N@H+](C)Cc1cccnc1 ZINC000357216724 266266362 /nfs/dbraw/zinc/26/63/62/266266362.db2.gz SMAGBXXKIWHBCI-UHFFFAOYSA-N 1 1 268.360 3.278 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+](C)Cc1cccnc1 ZINC000357216724 266266364 /nfs/dbraw/zinc/26/63/64/266266364.db2.gz SMAGBXXKIWHBCI-UHFFFAOYSA-N 1 1 268.360 3.278 20 30 CGEDMO C[C@H](CCN(C)C)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360837730 267150278 /nfs/dbraw/zinc/15/02/78/267150278.db2.gz RBDRICJRCOOSEW-RDTXWAMCSA-N 1 1 285.435 3.256 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](CC)O[C@]2(CCOC2)C1 ZINC000369534152 267249729 /nfs/dbraw/zinc/24/97/29/267249729.db2.gz YIMHBZNHNIQYDW-HZPDHXFCSA-N 1 1 267.413 3.003 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000369879202 267272920 /nfs/dbraw/zinc/27/29/20/267272920.db2.gz XWARJLPNZJRFLA-INIZCTEOSA-N 1 1 267.413 3.003 20 30 CGEDMO N#Cc1cccc(OCC[N@H+]2CCCc3ccccc3C2)c1 ZINC000316634822 268274261 /nfs/dbraw/zinc/27/42/61/268274261.db2.gz DYCYCVZUABDFLY-UHFFFAOYSA-N 1 1 292.382 3.385 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000285731737 274276379 /nfs/dbraw/zinc/27/63/79/274276379.db2.gz VHNWEWSFMRJRJR-AWEZNQCLSA-N 1 1 292.386 3.142 20 30 CGEDMO CC[N@@H+](C[C@@H](OC)C1CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000425408405 276136009 /nfs/dbraw/zinc/13/60/09/276136009.db2.gz SHCBWJBKTCXAKW-SUMWQHHRSA-N 1 1 272.392 3.366 20 30 CGEDMO C[C@@H](O)C[N@@H+](Cc1cccc(F)c1C#N)C1CCCCC1 ZINC000428227213 278394808 /nfs/dbraw/zinc/39/48/08/278394808.db2.gz IAKTYJPFFCEZCO-CYBMUJFWSA-N 1 1 290.382 3.213 20 30 CGEDMO N#CC1(F)CC[NH+]([C@@H]2CCc3ccc(F)cc32)CC1 ZINC000352464035 279477763 /nfs/dbraw/zinc/47/77/63/279477763.db2.gz NWMBWRQYZHPDAP-CQSZACIVSA-N 1 1 262.303 3.141 20 30 CGEDMO Cc1ccc2c(c1)[C@H]([NH2+]Cc1nc(C#N)cs1)CCC2 ZINC000335788853 281121264 /nfs/dbraw/zinc/12/12/64/281121264.db2.gz PLDMRABYEMQPRS-OAHLLOKOSA-N 1 1 283.400 3.490 20 30 CGEDMO CCn1ccnc1[C@@H](C)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000453373140 281647504 /nfs/dbraw/zinc/64/75/04/281647504.db2.gz WSYKGTFJJLACGU-WBMJQRKESA-N 1 1 280.375 3.113 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000339226634 328002556 /nfs/dbraw/zinc/00/25/56/328002556.db2.gz IMBMGLGFTRTCLF-KRWDZBQOSA-N 1 1 286.419 3.098 20 30 CGEDMO C=C(C)COc1cccc(NC(=O)C[N@H+](CC)C2CC2)c1 ZINC000152059838 328053787 /nfs/dbraw/zinc/05/37/87/328053787.db2.gz NVMGYRDRVOJOFT-UHFFFAOYSA-N 1 1 288.391 3.064 20 30 CGEDMO C#CC[NH2+][C@@H](c1ccc(OC)cc1)c1ccccc1OC ZINC000152180368 328077702 /nfs/dbraw/zinc/07/77/02/328077702.db2.gz RICPEZMEEUMBBV-SFHVURJKSA-N 1 1 281.355 3.016 20 30 CGEDMO C=CCCCCC[N@@H+]1CCNC(=O)[C@H]1c1cccc(C)c1 ZINC000571297177 328100604 /nfs/dbraw/zinc/10/06/04/328100604.db2.gz IKUVPWAKBJDLRO-QGZVFWFLSA-N 1 1 286.419 3.214 20 30 CGEDMO C=CCCCCC[N@H+]1CCNC(=O)[C@H]1c1cccc(C)c1 ZINC000571297177 328100606 /nfs/dbraw/zinc/10/06/06/328100606.db2.gz IKUVPWAKBJDLRO-QGZVFWFLSA-N 1 1 286.419 3.214 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(CF)CC2)c1C ZINC000451388564 328136935 /nfs/dbraw/zinc/13/69/35/328136935.db2.gz LHYRAQAECSUUTJ-UHFFFAOYSA-N 1 1 292.398 3.155 20 30 CGEDMO C[C@H](CCC#N)[N@@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000276347913 328217798 /nfs/dbraw/zinc/21/77/98/328217798.db2.gz VSFUHGRIJWOKAN-IIAWOOMASA-N 1 1 258.365 3.141 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000276347913 328217799 /nfs/dbraw/zinc/21/77/99/328217799.db2.gz VSFUHGRIJWOKAN-IIAWOOMASA-N 1 1 258.365 3.141 20 30 CGEDMO C[N@@H+](CCCCC(C)(C)C#N)[C@@H](CO)c1ccccc1 ZINC000277768339 328222737 /nfs/dbraw/zinc/22/27/37/328222737.db2.gz QWYUTSJKGPWIES-INIZCTEOSA-N 1 1 274.408 3.372 20 30 CGEDMO CC[C@@H](c1ccccc1)[N@@H+](CC)CCOCCC#N ZINC000293340243 328275345 /nfs/dbraw/zinc/27/53/45/328275345.db2.gz DBZWBVBTVDCMSK-INIZCTEOSA-N 1 1 260.381 3.390 20 30 CGEDMO CC1(C)C[N@H+]([C@H]2CC[C@@H](C#N)C2)CCN1Cc1ccccc1 ZINC000293158139 328274536 /nfs/dbraw/zinc/27/45/36/328274536.db2.gz RIVLKMJXWOGDFN-MSOLQXFVSA-N 1 1 297.446 3.275 20 30 CGEDMO CC1(C)CN([C@H]2CC[C@@H](C#N)C2)CC[N@@H+]1Cc1ccccc1 ZINC000293158139 328274537 /nfs/dbraw/zinc/27/45/37/328274537.db2.gz RIVLKMJXWOGDFN-MSOLQXFVSA-N 1 1 297.446 3.275 20 30 CGEDMO CC1(C)CN([C@H]2CC[C@@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000293158139 328274539 /nfs/dbraw/zinc/27/45/39/328274539.db2.gz RIVLKMJXWOGDFN-MSOLQXFVSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cc(C#N)n(C)c2)[C@@H]2CCCC[C@H]12 ZINC000565750923 322089508 /nfs/dbraw/zinc/08/95/08/322089508.db2.gz LMNRBLFXDIPURL-KBRIMQKVSA-N 1 1 271.408 3.297 20 30 CGEDMO CCC[N@@H+](CC)C[C@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000566885282 322142090 /nfs/dbraw/zinc/14/20/90/322142090.db2.gz LHMAPOFVGZWWQF-KBPBESRZSA-N 1 1 291.414 3.468 20 30 CGEDMO CCCN(CC)C[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000566885282 322142092 /nfs/dbraw/zinc/14/20/92/322142092.db2.gz LHMAPOFVGZWWQF-KBPBESRZSA-N 1 1 291.414 3.468 20 30 CGEDMO N#Cc1ccc(C[N@@H+](Cc2ccccc2)C2CC2)nc1 ZINC000569664574 322253528 /nfs/dbraw/zinc/25/35/28/322253528.db2.gz LFBOMENIOYDIQA-UHFFFAOYSA-N 1 1 263.344 3.118 20 30 CGEDMO Cc1cc(C[N@@H+]2C[C@@H](C)OC3(CCC3)C2)ccc1C#N ZINC000571281615 322294798 /nfs/dbraw/zinc/29/47/98/322294798.db2.gz IOEGEVGULULKEZ-CQSZACIVSA-N 1 1 270.376 3.010 20 30 CGEDMO Cc1ccoc1C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000572444840 322337278 /nfs/dbraw/zinc/33/72/78/322337278.db2.gz HNKQQTOFZDWLAK-UHFFFAOYSA-N 1 1 284.359 3.108 20 30 CGEDMO COCCCC[N@@H+](CCCC#N)Cc1ccccc1 ZINC000065165253 327062118 /nfs/dbraw/zinc/06/21/18/327062118.db2.gz ILRJERONEGUEBW-UHFFFAOYSA-N 1 1 260.381 3.219 20 30 CGEDMO CC(C)N(C)c1ccccc1C[NH2+]C[C@H](C#N)CCC#N ZINC000565989149 327103088 /nfs/dbraw/zinc/10/30/88/327103088.db2.gz KNCABZOQISHYLH-HNNXBMFYSA-N 1 1 284.407 3.064 20 30 CGEDMO CC[N@@H+](Cc1ccnc2ccccc12)C[C@@H](C)C#N ZINC000092347662 327103100 /nfs/dbraw/zinc/10/31/00/327103100.db2.gz BAJFMHLTPCQYGU-ZDUSSCGKSA-N 1 1 253.349 3.216 20 30 CGEDMO CC[N@H+](Cc1ccnc2ccccc12)C[C@@H](C)C#N ZINC000092347662 327103101 /nfs/dbraw/zinc/10/31/01/327103101.db2.gz BAJFMHLTPCQYGU-ZDUSSCGKSA-N 1 1 253.349 3.216 20 30 CGEDMO CC[N@@H+](Cc1ccnc2ccccc12)C[C@H](C)C#N ZINC000092347665 327103256 /nfs/dbraw/zinc/10/32/56/327103256.db2.gz BAJFMHLTPCQYGU-CYBMUJFWSA-N 1 1 253.349 3.216 20 30 CGEDMO CC[N@H+](Cc1ccnc2ccccc12)C[C@H](C)C#N ZINC000092347665 327103258 /nfs/dbraw/zinc/10/32/58/327103258.db2.gz BAJFMHLTPCQYGU-CYBMUJFWSA-N 1 1 253.349 3.216 20 30 CGEDMO COc1ccc([C@H]2CCC[N@H+]2CCCSCC#N)cc1 ZINC000074981290 327122726 /nfs/dbraw/zinc/12/27/26/327122726.db2.gz VTWWRFKISQDZOA-MRXNPFEDSA-N 1 1 290.432 3.479 20 30 CGEDMO COc1ccc(C[C@H](C)C[N@@H+](C)[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000559146017 327143415 /nfs/dbraw/zinc/14/34/15/327143415.db2.gz ZSSWFOPCHQFJRM-BHYGNILZSA-N 1 1 286.419 3.498 20 30 CGEDMO N#CC1(C[NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000573781082 327257082 /nfs/dbraw/zinc/25/70/82/327257082.db2.gz UVZXRDOGLDEGKS-UHFFFAOYSA-N 1 1 286.766 3.123 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000560630231 327332053 /nfs/dbraw/zinc/33/20/53/327332053.db2.gz WLLVRYMFTCPNAG-RBUKOAKNSA-N 1 1 299.414 3.395 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000560630231 327332054 /nfs/dbraw/zinc/33/20/54/327332054.db2.gz WLLVRYMFTCPNAG-RBUKOAKNSA-N 1 1 299.414 3.395 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000563925080 328836995 /nfs/dbraw/zinc/83/69/95/328836995.db2.gz XQKDALBGPZWBRE-INIZCTEOSA-N 1 1 295.386 3.442 20 30 CGEDMO C=CC[N@H+](Cc1cnn(C=C)c1)Cc1ccccc1 ZINC000193723952 329061265 /nfs/dbraw/zinc/06/12/65/329061265.db2.gz FRRJTJMPMVLVIE-UHFFFAOYSA-N 1 1 253.349 3.172 20 30 CGEDMO C=CC[N@@H+](Cc1cnn(C=C)c1)Cc1ccccc1 ZINC000193723952 329061266 /nfs/dbraw/zinc/06/12/66/329061266.db2.gz FRRJTJMPMVLVIE-UHFFFAOYSA-N 1 1 253.349 3.172 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000184087718 329255764 /nfs/dbraw/zinc/25/57/64/329255764.db2.gz HETNXBKWAQVNCB-NVXWUHKLSA-N 1 1 288.391 3.026 20 30 CGEDMO CC(C)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cn2)CC1 ZINC000583091960 329314487 /nfs/dbraw/zinc/31/44/87/329314487.db2.gz ANDSJYNUAWXVBX-HNNXBMFYSA-N 1 1 257.381 3.211 20 30 CGEDMO CN(CCC[NH2+][C@@H]1CCC[C@H](C#N)C1)Cc1ccccc1 ZINC000185761074 329331277 /nfs/dbraw/zinc/33/12/77/329331277.db2.gz CKZLOLWNUCCUEM-ZWKOTPCHSA-N 1 1 285.435 3.180 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000186008585 329335819 /nfs/dbraw/zinc/33/58/19/329335819.db2.gz VPSUKKFNYRSQDI-JKSUJKDBSA-N 1 1 288.435 3.225 20 30 CGEDMO C[C@@H]1CCCC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000187952466 329361776 /nfs/dbraw/zinc/36/17/76/329361776.db2.gz HOBKDYSWBIROHZ-MRXNPFEDSA-N 1 1 299.418 3.055 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)C[C@H]1CC[C@H](C)O1 ZINC000190304902 329394539 /nfs/dbraw/zinc/39/45/39/329394539.db2.gz RTRBXSCAEUNPMI-QWHCGFSZSA-N 1 1 251.395 3.304 20 30 CGEDMO C=C(CC)C[N@@H+](CCC(=O)OC(C)(C)C)C1CCOCC1 ZINC000580427799 330130937 /nfs/dbraw/zinc/13/09/37/330130937.db2.gz PSHWUHCZIOCFNI-UHFFFAOYSA-N 1 1 297.439 3.165 20 30 CGEDMO C=CCn1cc(C[NH2+][C@H](CC(C)C)c2ccccc2)nn1 ZINC000424293062 330335250 /nfs/dbraw/zinc/33/52/50/330335250.db2.gz HYMQZTBFNQNACF-QGZVFWFLSA-N 1 1 284.407 3.341 20 30 CGEDMO C=CCn1cc(C[NH2+][C@H](C)c2ccc(CCC)cc2)nn1 ZINC000424293579 330335364 /nfs/dbraw/zinc/33/53/64/330335364.db2.gz IQTFNZLVJMXPDB-CQSZACIVSA-N 1 1 284.407 3.267 20 30 CGEDMO C=CCn1cc(C[NH2+][C@@H]2CC[C@@H](C)c3ccsc32)nn1 ZINC000424299674 330336933 /nfs/dbraw/zinc/33/69/33/330336933.db2.gz VXZIBYYGLWEVAA-BXUZGUMPSA-N 1 1 288.420 3.254 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+](C(C)C)C1CCCCC1 ZINC000533370804 330360397 /nfs/dbraw/zinc/36/03/97/330360397.db2.gz LTTQGBGZWKVQPC-UHFFFAOYSA-N 1 1 278.440 3.230 20 30 CGEDMO CC[C@H]1CN(C)c2ccccc2C[N@H+]1CCCC#N ZINC000088562432 330377370 /nfs/dbraw/zinc/37/73/70/330377370.db2.gz UBZIDQBVYOVKSW-HNNXBMFYSA-N 1 1 257.381 3.021 20 30 CGEDMO N#C[C@@H]1CC[C@H]([NH2+][C@H](CO)c2c(Cl)cccc2Cl)C1 ZINC000442881189 330790234 /nfs/dbraw/zinc/79/02/34/330790234.db2.gz ZBLQBHVAAWURCM-GBIKHYSHSA-N 1 1 299.201 3.309 20 30 CGEDMO N#CC1(C[N@H+]2CCC[C@H]2COc2ccccc2)CCC1 ZINC000451315262 331024123 /nfs/dbraw/zinc/02/41/23/331024123.db2.gz QWKXHEFNBKEAJH-HNNXBMFYSA-N 1 1 270.376 3.224 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000451405251 331027878 /nfs/dbraw/zinc/02/78/78/331027878.db2.gz HSIFHBXJHQXGQD-VXGBXAGGSA-N 1 1 265.319 3.242 20 30 CGEDMO CO[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1C ZINC000451543069 331033447 /nfs/dbraw/zinc/03/34/47/331033447.db2.gz KTZOBKXWASJHMH-BBRMVZONSA-N 1 1 277.795 3.048 20 30 CGEDMO N#CCCC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544017 331033556 /nfs/dbraw/zinc/03/35/56/331033556.db2.gz CZYHZRUUCBQJBR-AWEZNQCLSA-N 1 1 273.336 3.078 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451852471 331044792 /nfs/dbraw/zinc/04/47/92/331044792.db2.gz KPNXEQMGFVRZOQ-HIFRSBDPSA-N 1 1 261.365 3.134 20 30 CGEDMO N#CCCC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453195077 331099994 /nfs/dbraw/zinc/09/99/94/331099994.db2.gz OPNYCYJMMJKBHY-OTWHNJEPSA-N 1 1 297.446 3.323 20 30 CGEDMO CCCCCOC1C[NH+](CC(C)(C)CCC#N)C1 ZINC000459588017 331289522 /nfs/dbraw/zinc/28/95/22/331289522.db2.gz FJVWCAIZERJVFO-UHFFFAOYSA-N 1 1 252.402 3.207 20 30 CGEDMO C=CC[C@H](C)[C@H](C)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000462876901 331333730 /nfs/dbraw/zinc/33/37/30/331333730.db2.gz YDZWDJNEKSURRJ-MPGHIAIKSA-N 1 1 288.435 3.266 20 30 CGEDMO Cc1cccc(N2CC[NH+](CC#Cc3ccccc3)CC2)c1 ZINC000483549260 331879107 /nfs/dbraw/zinc/87/91/07/331879107.db2.gz YULIZLVYXPQGOE-UHFFFAOYSA-N 1 1 290.410 3.169 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)NCc1ccc(Cl)s1 ZINC000489437973 332052189 /nfs/dbraw/zinc/05/21/89/332052189.db2.gz XBFRMINSUSPFOS-NSHDSACASA-N 1 1 298.839 3.058 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(Cl)s1 ZINC000489437973 332052190 /nfs/dbraw/zinc/05/21/90/332052190.db2.gz XBFRMINSUSPFOS-NSHDSACASA-N 1 1 298.839 3.058 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000489439061 332052417 /nfs/dbraw/zinc/05/24/17/332052417.db2.gz NGWXZEOVPXPOIX-XHSDSOJGSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000489446706 332052983 /nfs/dbraw/zinc/05/29/83/332052983.db2.gz IQKAYRLNLVAEIL-FUHWJXTLSA-N 1 1 298.430 3.221 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000489446706 332052984 /nfs/dbraw/zinc/05/29/84/332052984.db2.gz IQKAYRLNLVAEIL-FUHWJXTLSA-N 1 1 298.430 3.221 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CCC(=O)N(C)c1ccccc1 ZINC000489448703 332053221 /nfs/dbraw/zinc/05/32/21/332053221.db2.gz NGJSVLSGJPJUAK-OAHLLOKOSA-N 1 1 272.392 3.080 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CCc1nc2ccccc2n1C ZINC000489461263 332053936 /nfs/dbraw/zinc/05/39/36/332053936.db2.gz ILFVKZSFNVEMBD-AWEZNQCLSA-N 1 1 269.392 3.156 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H](O)CCc1ccccc1 ZINC000489496645 332056748 /nfs/dbraw/zinc/05/67/48/332056748.db2.gz YWHACRQSDOBMEE-SJORKVTESA-N 1 1 259.393 3.021 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CCCCCC(=O)OCC ZINC000489505649 332057228 /nfs/dbraw/zinc/05/72/28/332057228.db2.gz DYFVYXYOBBATTC-AWEZNQCLSA-N 1 1 253.386 3.150 20 30 CGEDMO C#CC[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1 ZINC000491209395 332166227 /nfs/dbraw/zinc/16/62/27/332166227.db2.gz GOWMZZOLQQMTMI-UHFFFAOYSA-N 1 1 296.414 3.222 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1cccc(-c2cccnc2)c1 ZINC000491427011 332209415 /nfs/dbraw/zinc/20/94/15/332209415.db2.gz ILKIZHROMDPGEN-AWEZNQCLSA-N 1 1 250.345 3.202 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(Cl)nc1C(F)(F)F)C1CC1 ZINC000491636479 332257433 /nfs/dbraw/zinc/25/74/33/332257433.db2.gz SSYOYXYMSABVCK-UHFFFAOYSA-N 1 1 288.700 3.351 20 30 CGEDMO C#CC[N@H+](Cc1ccc(Cl)nc1C(F)(F)F)C1CC1 ZINC000491636479 332257434 /nfs/dbraw/zinc/25/74/34/332257434.db2.gz SSYOYXYMSABVCK-UHFFFAOYSA-N 1 1 288.700 3.351 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(Cl)nc1C(F)(F)F ZINC000491766244 332334450 /nfs/dbraw/zinc/33/44/50/332334450.db2.gz GQFXGYSWARMWQG-QMMMGPOBSA-N 1 1 276.689 3.207 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(Cl)nc1C(F)(F)F ZINC000491766244 332334451 /nfs/dbraw/zinc/33/44/51/332334451.db2.gz GQFXGYSWARMWQG-QMMMGPOBSA-N 1 1 276.689 3.207 20 30 CGEDMO C=CCOc1ccccc1CNCC[N@H+](C)[C@@H](C)CC ZINC000217372979 333120586 /nfs/dbraw/zinc/12/05/86/333120586.db2.gz WKJLQFYMUSKYCK-HNNXBMFYSA-N 1 1 276.424 3.071 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]CCN(C)[C@@H](C)CC ZINC000217372979 333120587 /nfs/dbraw/zinc/12/05/87/333120587.db2.gz WKJLQFYMUSKYCK-HNNXBMFYSA-N 1 1 276.424 3.071 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)C[C@H](O)Cc1ccccc1 ZINC000195725153 333261952 /nfs/dbraw/zinc/26/19/52/333261952.db2.gz REAZGEVZWWCESL-HXUWFJFHSA-N 1 1 295.426 3.321 20 30 CGEDMO C=C(C)C[NH2+]Cc1c(F)ccc(Br)c1F ZINC000230311172 333316435 /nfs/dbraw/zinc/31/64/35/333316435.db2.gz AQGUWUIYYDCJCI-UHFFFAOYSA-N 1 1 276.124 3.393 20 30 CGEDMO C=CCCCCC[N@H+](CC(=O)OC)C1CCCC1 ZINC000234514253 333360498 /nfs/dbraw/zinc/36/04/98/333360498.db2.gz OHMYOYJRFVUXNJ-UHFFFAOYSA-N 1 1 253.386 3.150 20 30 CGEDMO N#CCSCCC[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000074981953 334021666 /nfs/dbraw/zinc/02/16/66/334021666.db2.gz SKWFCWMIOSSYQR-UHFFFAOYSA-N 1 1 278.396 3.437 20 30 CGEDMO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1cccc(OC(F)F)c1 ZINC000133707189 334050746 /nfs/dbraw/zinc/05/07/46/334050746.db2.gz KZYCZQSZXLKIQI-NWDGAFQWSA-N 1 1 293.317 3.382 20 30 CGEDMO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CC#Cc1ccccc1Cl ZINC000135091405 334115093 /nfs/dbraw/zinc/11/50/93/334115093.db2.gz HMTBVBWSEUYTMW-IAGOWNOFSA-N 1 1 291.822 3.317 20 30 CGEDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1CC#Cc1ccccc1Cl ZINC000135091405 334115094 /nfs/dbraw/zinc/11/50/94/334115094.db2.gz HMTBVBWSEUYTMW-IAGOWNOFSA-N 1 1 291.822 3.317 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000550010346 334211399 /nfs/dbraw/zinc/21/13/99/334211399.db2.gz QOUYZYIMPMRAMJ-CQSZACIVSA-N 1 1 251.757 3.369 20 30 CGEDMO COC[C@H](C#N)Nc1ccc([N@@H+]2CCCC[C@H]2C)cc1C ZINC000248375703 334299341 /nfs/dbraw/zinc/29/93/41/334299341.db2.gz XSJSOCRDPDLNTL-CABCVRRESA-N 1 1 287.407 3.324 20 30 CGEDMO COC[C@H](C#N)Nc1ccc([N@H+]2CCCC[C@H]2C)cc1C ZINC000248375703 334299342 /nfs/dbraw/zinc/29/93/42/334299342.db2.gz XSJSOCRDPDLNTL-CABCVRRESA-N 1 1 287.407 3.324 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H]2CO)cc1Cl ZINC000249038553 334325332 /nfs/dbraw/zinc/32/53/32/334325332.db2.gz CRFOQHCLIXQGPB-DOMZBBRYSA-N 1 1 295.810 3.108 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCCO[C@H](C(C)C)C2)c1 ZINC000552444263 334327782 /nfs/dbraw/zinc/32/77/82/334327782.db2.gz ZTLPKHMUVOERDD-SFHVURJKSA-N 1 1 289.419 3.498 20 30 CGEDMO CC(F)(F)c1ccc(C[NH2+]C[C@@H](C#N)CCC#N)cc1 ZINC000569323686 334866903 /nfs/dbraw/zinc/86/69/03/334866903.db2.gz GKZBEWQHOIBIHG-CYBMUJFWSA-N 1 1 277.318 3.331 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCC[C@H]2[C@H]2CCCOC2)cc1 ZINC000576870062 335258031 /nfs/dbraw/zinc/25/80/31/335258031.db2.gz KMOMQQXLNBVVPL-WMZOPIPTSA-N 1 1 287.378 3.068 20 30 CGEDMO C=CC[C@@H](CO)CNc1[nH+]ccc2c(C)cccc21 ZINC000577057951 335292284 /nfs/dbraw/zinc/29/22/84/335292284.db2.gz QIOBGZQMRZJQIG-CYBMUJFWSA-N 1 1 256.349 3.140 20 30 CGEDMO Cn1cc(C[NH+]2CCC(C#N)CC2)c(C2CCCCC2)n1 ZINC000183026033 335857002 /nfs/dbraw/zinc/85/70/02/335857002.db2.gz MKVFCIXSTJTODI-UHFFFAOYSA-N 1 1 286.423 3.203 20 30 CGEDMO CCCC[C@@H](C)[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000380566022 336000226 /nfs/dbraw/zinc/00/02/26/336000226.db2.gz SMRCYBCQQQIHME-CYBMUJFWSA-N 1 1 273.380 3.007 20 30 CGEDMO CC[N@@H+](CCCSCC#N)Cc1ccc(C)cc1 ZINC000581977797 336182196 /nfs/dbraw/zinc/18/21/96/336182196.db2.gz MWOLXOGPDZYNIH-UHFFFAOYSA-N 1 1 262.422 3.464 20 30 CGEDMO CCOC(=O)[C@H]1CCCC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411157292 500697566 /nfs/dbraw/zinc/69/75/66/500697566.db2.gz LWALDOHZDLPGNP-OAHLLOKOSA-N 1 1 292.423 3.268 20 30 CGEDMO CCOC(=O)[C@H]1CCCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411157292 500697567 /nfs/dbraw/zinc/69/75/67/500697567.db2.gz LWALDOHZDLPGNP-OAHLLOKOSA-N 1 1 292.423 3.268 20 30 CGEDMO C[C@H]1CC[C@]2(CC[N@@H+](CCOc3cccc(C#N)c3)C2)C1 ZINC000359554985 533774664 /nfs/dbraw/zinc/77/46/64/533774664.db2.gz JOIJXBGMBGFVNA-YJBOKZPZSA-N 1 1 284.403 3.449 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000437888303 533806641 /nfs/dbraw/zinc/80/66/41/533806641.db2.gz HQSCBXJPIXAHBH-WDEREUQCSA-N 1 1 280.318 3.390 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)[C@@H]1C ZINC000437831998 534038476 /nfs/dbraw/zinc/03/84/76/534038476.db2.gz DZWNEHUHQKAPIQ-GHMZBOCLSA-N 1 1 280.318 3.390 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)N(C)CC[C@@H]1CCC[N@H+]1C ZINC000425530427 534079313 /nfs/dbraw/zinc/07/93/13/534079313.db2.gz FLZDGMBQFDGRSW-YOEHRIQHSA-N 1 1 271.408 3.035 20 30 CGEDMO C[C@@H]1CC[C@H](C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)O1 ZINC000364490670 534235992 /nfs/dbraw/zinc/23/59/92/534235992.db2.gz LRDNYVYZOFUJQA-RDTXWAMCSA-N 1 1 282.387 3.215 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2F)CCS1 ZINC000083416021 520475639 /nfs/dbraw/zinc/47/56/39/520475639.db2.gz SRKHYHGJIBKKBT-UHFFFAOYSA-N 1 1 264.369 3.025 20 30 CGEDMO CC1(C)C[N@H+](Cc2ccc(C#N)cc2F)CCS1 ZINC000083416021 520475629 /nfs/dbraw/zinc/47/56/29/520475629.db2.gz SRKHYHGJIBKKBT-UHFFFAOYSA-N 1 1 264.369 3.025 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cncc(F)c1 ZINC000344628615 526340429 /nfs/dbraw/zinc/34/04/29/526340429.db2.gz AEDAHTVIANKIHC-UHFFFAOYSA-N 1 1 286.350 3.418 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cncc(F)c1 ZINC000344628615 526340433 /nfs/dbraw/zinc/34/04/33/526340433.db2.gz AEDAHTVIANKIHC-UHFFFAOYSA-N 1 1 286.350 3.418 20 30 CGEDMO C=CCOCCC[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000347960187 526750308 /nfs/dbraw/zinc/75/03/08/526750308.db2.gz FGXWHLQPYCRCNK-UHFFFAOYSA-N 1 1 273.376 3.074 20 30 CGEDMO C=CCOCCC[N@@H+]1CCC[C@@H]1c1cccc(OC)c1 ZINC000347962113 526753923 /nfs/dbraw/zinc/75/39/23/526753923.db2.gz IHSZVJNZFQZHTL-QGZVFWFLSA-N 1 1 275.392 3.425 20 30 CGEDMO C=CCOCCC[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000347965364 526753933 /nfs/dbraw/zinc/75/39/33/526753933.db2.gz LTGJLZGBMYPEFZ-CQSZACIVSA-N 1 1 251.395 3.478 20 30 CGEDMO C=CCOCCC[N@@H+]1CCC[C@H]1Cc1ccccc1OC ZINC000347970890 526754025 /nfs/dbraw/zinc/75/40/25/526754025.db2.gz XSTOYZMXQHFKFI-KRWDZBQOSA-N 1 1 289.419 3.295 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C[C@@H](C)OC)C(C)C)cc1 ZINC000353788529 526863888 /nfs/dbraw/zinc/86/38/88/526863888.db2.gz BRAAZHCMNJHBGZ-OAHLLOKOSA-N 1 1 277.408 3.497 20 30 CGEDMO C=CCOc1ccc(CNC[C@H]2CCC[N@H+]2CCC)cc1 ZINC000353122532 526885763 /nfs/dbraw/zinc/88/57/63/526885763.db2.gz GSPWZCFDHFGABF-QGZVFWFLSA-N 1 1 288.435 3.215 20 30 CGEDMO C=CCOc1ccc(CNC[C@H]2CCC[N@@H+]2CCC)cc1 ZINC000353122532 526885767 /nfs/dbraw/zinc/88/57/67/526885767.db2.gz GSPWZCFDHFGABF-QGZVFWFLSA-N 1 1 288.435 3.215 20 30 CGEDMO C=C1CC[NH+](Cc2cc(OC)cc3c2O[C@H](C)C3)CC1 ZINC000353322036 526904324 /nfs/dbraw/zinc/90/43/24/526904324.db2.gz UCMFYLAMXZWDGW-CYBMUJFWSA-N 1 1 273.376 3.171 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000346976280 527194366 /nfs/dbraw/zinc/19/43/66/527194366.db2.gz ZLKTXTTVOMLLKZ-LSDHHAIUSA-N 1 1 286.419 3.251 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+]([C@H](C)[C@@H](C)CC)C1CC1 ZINC000355799352 527608569 /nfs/dbraw/zinc/60/85/69/527608569.db2.gz PPKNWBSFMMVOOI-LSDHHAIUSA-N 1 1 278.440 3.086 20 30 CGEDMO CC[N@@H+](CC(=O)N[C@@H](CCCC#N)c1ccccc1)C1CC1 ZINC000352205557 527915629 /nfs/dbraw/zinc/91/56/29/527915629.db2.gz GTNQVSSYXPEREC-KRWDZBQOSA-N 1 1 299.418 3.022 20 30 CGEDMO CCCC[C@H](CN)[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000423302541 528955708 /nfs/dbraw/zinc/95/57/08/528955708.db2.gz VRJWPFDCKCLBQW-CVEARBPZSA-N 1 1 259.397 3.116 20 30 CGEDMO CCCC[C@H](CN)[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000423302545 528958624 /nfs/dbraw/zinc/95/86/24/528958624.db2.gz VRJWPFDCKCLBQW-HZPDHXFCSA-N 1 1 259.397 3.116 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2)CC2(CCCC2)O1 ZINC000190970437 529123856 /nfs/dbraw/zinc/12/38/56/529123856.db2.gz HIUWRIBFBGWNMS-UHFFFAOYSA-N 1 1 284.403 3.482 20 30 CGEDMO C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C1CC(C)(C)C1 ZINC000459746780 536486584 /nfs/dbraw/zinc/48/65/84/536486584.db2.gz VAAYMKLUVSNNQR-UHFFFAOYSA-N 1 1 296.374 3.229 20 30 CGEDMO C=CCCCCC[N@H+](C)CN1C(=O)C(C)(C)C1(C)C ZINC000749167512 572990244 /nfs/dbraw/zinc/99/02/44/572990244.db2.gz GUTLFXFVCXPTIU-UHFFFAOYSA-N 1 1 266.429 3.269 20 30 CGEDMO CCCCCCC[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000729524673 571924227 /nfs/dbraw/zinc/92/42/27/571924227.db2.gz KXEIKPRPSVDCCC-GJZGRUSLSA-N 1 1 268.445 3.051 20 30 CGEDMO C=C1CC[NH+](Cc2cc(=O)oc3cc(O)c(CC)cc23)CC1 ZINC000731032366 572391515 /nfs/dbraw/zinc/39/15/15/572391515.db2.gz IEFDIXHKPBAHFZ-UHFFFAOYSA-N 1 1 299.370 3.213 20 30 CGEDMO C=CCc1cc(OCC)cc(C[N@H+]2CC[C@@H](C)C2)c1O ZINC000725778715 572399786 /nfs/dbraw/zinc/39/97/86/572399786.db2.gz OLLPVRMUSNBLAC-CYBMUJFWSA-N 1 1 275.392 3.361 20 30 CGEDMO CC[NH+](CC)[C@@H](C(=O)OCCCCC#N)c1ccccc1 ZINC000732350398 572461399 /nfs/dbraw/zinc/46/13/99/572461399.db2.gz TVGFONBIFMXWQR-MRXNPFEDSA-N 1 1 288.391 3.307 20 30 CGEDMO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(C#N)o2)c1 ZINC000742370982 572569279 /nfs/dbraw/zinc/56/92/79/572569279.db2.gz CNAKBWBWRGTWCV-CQSZACIVSA-N 1 1 295.342 3.122 20 30 CGEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2nccs2)c1 ZINC000733800321 572606152 /nfs/dbraw/zinc/60/61/52/572606152.db2.gz MEODUHXIXDYDMV-ZDUSSCGKSA-N 1 1 287.388 3.114 20 30 CGEDMO CC(C)C[N@H+](CCC#N)C[C@H](O)c1cccc(Cl)c1 ZINC000743251221 572643883 /nfs/dbraw/zinc/64/38/83/572643883.db2.gz OSBSPELZWVCLJJ-HNNXBMFYSA-N 1 1 280.799 3.245 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)C[C@H](O)c1cccc(Cl)c1 ZINC000743251221 572643886 /nfs/dbraw/zinc/64/38/86/572643886.db2.gz OSBSPELZWVCLJJ-HNNXBMFYSA-N 1 1 280.799 3.245 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000743865949 572692847 /nfs/dbraw/zinc/69/28/47/572692847.db2.gz HFJXJUQIHWMDHW-CQSZACIVSA-N 1 1 282.428 3.284 20 30 CGEDMO C=CCCC[N@H+](CC)CC(=O)NCc1ccc(Cl)cc1 ZINC000735492629 572725871 /nfs/dbraw/zinc/72/58/71/572725871.db2.gz PGTZAKFXQZLDSV-UHFFFAOYSA-N 1 1 294.826 3.244 20 30 CGEDMO CCCCCC[N@@H+](C)CC(=O)N[C@]1(C#N)CCC[C@H](C)C1 ZINC000735658411 572737175 /nfs/dbraw/zinc/73/71/75/572737175.db2.gz ATCAOSOCNNOEKB-DOTOQJQBSA-N 1 1 293.455 3.087 20 30 CGEDMO C#CC[N@H+](CC(=O)N1[C@@H](C)CCC[C@@H]1C)C1CCCCC1 ZINC000744739289 572770848 /nfs/dbraw/zinc/77/08/48/572770848.db2.gz RUQNKCBMOSOJSK-HOTGVXAUSA-N 1 1 290.451 3.044 20 30 CGEDMO C#CC[N@@H+](CC)Cc1c(Cl)ccc2cccnc21 ZINC000746456636 572871761 /nfs/dbraw/zinc/87/17/61/572871761.db2.gz CUSSXALYBHIXQV-UHFFFAOYSA-N 1 1 258.752 3.343 20 30 CGEDMO C#CC[N@H+](CC)Cc1c(Cl)ccc2cccnc21 ZINC000746456636 572871765 /nfs/dbraw/zinc/87/17/65/572871765.db2.gz CUSSXALYBHIXQV-UHFFFAOYSA-N 1 1 258.752 3.343 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC1=NOCc1cccnc1 ZINC000746586334 572882945 /nfs/dbraw/zinc/88/29/45/572882945.db2.gz WKXDRRBIWLEWIG-HNNXBMFYSA-N 1 1 295.386 3.106 20 30 CGEDMO C=C(Br)C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000053156255 618887964 /nfs/dbraw/zinc/88/79/64/618887964.db2.gz FBIFWYVLGXCJBB-UHFFFAOYSA-N 1 1 278.552 3.477 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]([C@H]2CC[N@H+](CC)C2)C1 ZINC000961226506 613240813 /nfs/dbraw/zinc/24/08/13/613240813.db2.gz HFIDVRIWCHWBND-CVEARBPZSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1C[C@]2(C)C[N@H+](CCC)C[C@]2(C)C1 ZINC000982428704 613244287 /nfs/dbraw/zinc/24/42/87/613244287.db2.gz KIYCJOJTCOAMQK-HDICACEKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC2(CN(C(=O)C3(C)CCC3)C2)C1 ZINC000981940784 613250431 /nfs/dbraw/zinc/25/04/31/613250431.db2.gz TVATUAURYWSUGV-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccco1 ZINC000968726794 613251201 /nfs/dbraw/zinc/25/12/01/613251201.db2.gz BSVGMBYBNUYTPG-HNNXBMFYSA-N 1 1 290.407 3.220 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)C[C@@H]2C=CCCC2)CC1 ZINC000981430772 613251849 /nfs/dbraw/zinc/25/18/49/613251849.db2.gz HYGNSRWYBGINQA-QGZVFWFLSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H]2C[C@]2(C)C(C)C)CC1 ZINC000983430864 613254694 /nfs/dbraw/zinc/25/46/94/613254694.db2.gz RHBRTGROEOHSCU-SJLPKXTDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)CC2CC2)CC1 ZINC000948140314 613256134 /nfs/dbraw/zinc/25/61/34/613256134.db2.gz QGEDARNFUSYHDO-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)c2ccoc2)CC1 ZINC000948188779 613256654 /nfs/dbraw/zinc/25/66/54/613256654.db2.gz HGTDOTRHPKFAGT-INIZCTEOSA-N 1 1 290.407 3.172 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2)C1 ZINC000964742764 613263878 /nfs/dbraw/zinc/26/38/78/613263878.db2.gz JVOWVXTUNCNDGV-WBVHZDCISA-N 1 1 286.419 3.093 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccccc2)C1 ZINC000964742761 613264849 /nfs/dbraw/zinc/26/48/49/613264849.db2.gz JVOWVXTUNCNDGV-NVXWUHKLSA-N 1 1 286.419 3.093 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CC2CCC2)C(C)(C)C1 ZINC000940648893 613265832 /nfs/dbraw/zinc/26/58/32/613265832.db2.gz JFKSZRUGKKKXOO-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccoc2C)C[C@H]1C ZINC000947032039 613267482 /nfs/dbraw/zinc/26/74/82/613267482.db2.gz JIQIVNZREGVSAJ-UKRRQHHQSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)C(C)=C2CCC2)[C@@H](C)C1 ZINC000942041114 613270435 /nfs/dbraw/zinc/27/04/35/613270435.db2.gz KUIVXEHGGAEPFX-YOEHRIQHSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC(C)C)C1 ZINC000963244094 613314515 /nfs/dbraw/zinc/31/45/15/613314515.db2.gz LJTUXTANWYBQJA-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)CC2CCCCCC2)CC1 ZINC000950808119 613315931 /nfs/dbraw/zinc/31/59/31/613315931.db2.gz NEWAJPVGPIZDHV-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2CCCCCC2)C1 ZINC000965475868 613325429 /nfs/dbraw/zinc/32/54/29/613325429.db2.gz KNKRTIIYGPNHSK-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)o2)C[C@H]1C ZINC000947061207 613336015 /nfs/dbraw/zinc/33/60/15/613336015.db2.gz NOQBPMFZGCTWIX-NEPJUHHUSA-N 1 1 296.798 3.092 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)C2CCC=CCC2)C1 ZINC000980423004 613368028 /nfs/dbraw/zinc/36/80/28/613368028.db2.gz QLIMZUARBFZTEC-OAHLLOKOSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)C2CCC=CCC2)C1 ZINC000980423004 613368029 /nfs/dbraw/zinc/36/80/29/613368029.db2.gz QLIMZUARBFZTEC-OAHLLOKOSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H]2C=CCCC2)C1 ZINC000971772289 613368444 /nfs/dbraw/zinc/36/84/44/613368444.db2.gz OVLBOBLQTKPJOR-LSDHHAIUSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)C[C@H]2C=CCCC2)C1 ZINC000971772289 613368445 /nfs/dbraw/zinc/36/84/45/613368445.db2.gz OVLBOBLQTKPJOR-LSDHHAIUSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)CC2CCCCC2)C1 ZINC000971030989 613369774 /nfs/dbraw/zinc/36/97/74/613369774.db2.gz FICZKAFGFQEVDQ-HNNXBMFYSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)CC2CCCCC2)C1 ZINC000971030989 613369775 /nfs/dbraw/zinc/36/97/75/613369775.db2.gz FICZKAFGFQEVDQ-HNNXBMFYSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccoc1 ZINC000968753998 613373067 /nfs/dbraw/zinc/37/30/67/613373067.db2.gz VKGSQBNDSNZPMY-AWEZNQCLSA-N 1 1 296.798 3.007 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)c1ccoc1 ZINC000968753998 613373068 /nfs/dbraw/zinc/37/30/68/613373068.db2.gz VKGSQBNDSNZPMY-AWEZNQCLSA-N 1 1 296.798 3.007 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC2(C)C)CC1 ZINC000948294911 613374171 /nfs/dbraw/zinc/37/41/71/613374171.db2.gz JBGNEZGGURKSGL-ZIAGYGMSSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC2(C)C)CC1 ZINC000948306514 613374340 /nfs/dbraw/zinc/37/43/40/613374340.db2.gz JBGNEZGGURKSGL-KBPBESRZSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CC(C)(C)C2)C[C@@H]1C ZINC000947271294 613376083 /nfs/dbraw/zinc/37/60/83/613376083.db2.gz GFTIQBUXAVREPI-GXTWGEPZSA-N 1 1 298.858 3.144 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CC(C)(C)C2)C[C@@H]1C ZINC000947271294 613376084 /nfs/dbraw/zinc/37/60/84/613376084.db2.gz GFTIQBUXAVREPI-GXTWGEPZSA-N 1 1 298.858 3.144 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](C)C2CC2)C(C)(C)C1 ZINC000940654873 613378697 /nfs/dbraw/zinc/37/86/97/613378697.db2.gz FRQCCHQFMRISHO-OCCSQVGLSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)C2CC2)C(C)(C)C1 ZINC000940654873 613378698 /nfs/dbraw/zinc/37/86/98/613378698.db2.gz FRQCCHQFMRISHO-OCCSQVGLSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC[C@@H]([N@@H+](C)CC3CCCC3)C2)C1 ZINC000972274564 613393826 /nfs/dbraw/zinc/39/38/26/613393826.db2.gz AAOCMNPHLNLCIU-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](C/C=C\Cl)[C@@H](C)C2)C1 ZINC000947701373 613396568 /nfs/dbraw/zinc/39/65/68/613396568.db2.gz AJZRDPLTZHVTLQ-PSVOHZHUSA-N 1 1 296.842 3.064 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2C[N@H+](CCC(C)C)CC2(C)C)C1 ZINC000975031081 613401882 /nfs/dbraw/zinc/40/18/82/613401882.db2.gz URHWXHHTNQOYLN-HNNXBMFYSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C1CCC(C(=O)N(C)[C@@H]2CCC[N@@H+](CCF)CC2)CC1 ZINC000948746607 613403631 /nfs/dbraw/zinc/40/36/31/613403631.db2.gz GDGFDWSADYGEAJ-MRXNPFEDSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C1CCC(C(=O)N2CC[C@H]([N@@H+](C)CC3CCC3)C2)CC1 ZINC000972237462 613406016 /nfs/dbraw/zinc/40/60/16/613406016.db2.gz JAIXFAMDTKICPJ-KRWDZBQOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2C[N@@H+](CC(C)C)CC[C@H]2C)CC1 ZINC000968153785 613412764 /nfs/dbraw/zinc/41/27/64/613412764.db2.gz MMDHYGFTOTYSIZ-WBVHZDCISA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCC[C@@H]2CCC)C1 ZINC000950677962 613478713 /nfs/dbraw/zinc/47/87/13/613478713.db2.gz MQMAQFBMNWLUFM-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)c2ccc(C)c(C)c2)C1 ZINC000957352203 613479682 /nfs/dbraw/zinc/47/96/82/613479682.db2.gz TZHBGEOGYPBQIG-UHFFFAOYSA-N 1 1 286.419 3.026 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cocc1C ZINC000968984707 613490278 /nfs/dbraw/zinc/49/02/78/613490278.db2.gz HODGTRKGVLBLKW-OAHLLOKOSA-N 1 1 290.407 3.139 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H]2CCC)CC1 ZINC000981503798 613494650 /nfs/dbraw/zinc/49/46/50/613494650.db2.gz QTFGPBQJDCDPOV-DLBZAZTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)c2cocc2C)CC1 ZINC000948688956 613500133 /nfs/dbraw/zinc/50/01/33/613500133.db2.gz VDWXOTCWHNIEQN-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H](C)C2CCC2)CC1 ZINC000948541683 613500897 /nfs/dbraw/zinc/50/08/97/613500897.db2.gz ICLOAYUKYDFWAV-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cscc2C)C1 ZINC000965769184 613518747 /nfs/dbraw/zinc/51/87/47/613518747.db2.gz WSZNSULVZFYQKJ-IUODEOHRSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C2(C3CC3)CCC2)C[C@H]1C ZINC000947576850 613519544 /nfs/dbraw/zinc/51/95/44/613519544.db2.gz RYMXYUYKPYZRNL-GDBMZVCRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC=CCC2)C(C)(C)C1 ZINC000940559975 613522568 /nfs/dbraw/zinc/52/25/68/613522568.db2.gz KIIBSDOZZMQVFC-HZPDHXFCSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccsc2)C(C)(C)C1 ZINC000940558241 613525587 /nfs/dbraw/zinc/52/55/87/613525587.db2.gz UUJWNKYXSUUIJA-CQSZACIVSA-N 1 1 292.448 3.155 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C2(F)CCCCC2)C1 ZINC000968504128 613528875 /nfs/dbraw/zinc/52/88/75/613528875.db2.gz DXZCZJIJDPZPSS-GJZGRUSLSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)C2(F)CCCCC2)[C@H](C)C1 ZINC000943987085 613533947 /nfs/dbraw/zinc/53/39/47/613533947.db2.gz JHVKDBREZDICKJ-CABCVRRESA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC=CCC2)C(C)(C)C1 ZINC000974917242 613543926 /nfs/dbraw/zinc/54/39/26/613543926.db2.gz PUXGUZSKBIRWBM-HZPDHXFCSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)s2)C(C)(C)C1 ZINC000972758814 613546073 /nfs/dbraw/zinc/54/60/73/613546073.db2.gz XQUZIYHEKJIJHA-CQSZACIVSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@H+]1C[C@H](NC(=O)[C@]2(C)CC=CCC2)C(C)(C)C1 ZINC000974621103 613555403 /nfs/dbraw/zinc/55/54/03/613555403.db2.gz LNQXTGAKBGXDME-MAUKXSAKSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1cscc1C ZINC000968804609 613687864 /nfs/dbraw/zinc/68/78/64/613687864.db2.gz ZHTWRDQPPRTRDK-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)c2ccccc2C2(C)CC2)CC1 ZINC000981940272 613697883 /nfs/dbraw/zinc/69/78/83/613697883.db2.gz KLWCJBLFGXNJOL-UHFFFAOYSA-N 1 1 298.430 3.072 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC000948748035 613701392 /nfs/dbraw/zinc/70/13/92/613701392.db2.gz AYCRBINKCOZHRQ-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC000948607607 613701490 /nfs/dbraw/zinc/70/14/90/613701490.db2.gz BVOABJQCDHRZSC-BZUAXINKSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)C(F)=C2CCCC2)C(C)(C)C1 ZINC000940673598 613740600 /nfs/dbraw/zinc/74/06/00/613740600.db2.gz PSAHHUVHXBVCAJ-CQSZACIVSA-N 1 1 294.414 3.187 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)C2CCCC2)[C@@H](C)C1 ZINC000942134828 613740656 /nfs/dbraw/zinc/74/06/56/613740656.db2.gz BQXHHIOKQLJUCU-GOEBONIOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)C2CCCCCCC2)[C@@H](C)C1 ZINC000942431817 613741713 /nfs/dbraw/zinc/74/17/13/613741713.db2.gz NMMWPMIAVDAXDY-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Cl)cc2)C[C@@H]1C ZINC000947956330 613752644 /nfs/dbraw/zinc/75/26/44/613752644.db2.gz BRLGXFDMWSRGLN-SWLSCSKDSA-N 1 1 292.810 3.109 20 30 CGEDMO C=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(Cl)s2)C1 ZINC000968614835 613768604 /nfs/dbraw/zinc/76/86/04/613768604.db2.gz OIGVCZMZZGNNBU-QWRGUYRKSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(Cl)s2)C1 ZINC000968614835 613768605 /nfs/dbraw/zinc/76/86/05/613768605.db2.gz OIGVCZMZZGNNBU-QWRGUYRKSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2(C)CCCCC2)C[C@H]1C ZINC000947688953 613779476 /nfs/dbraw/zinc/77/94/76/613779476.db2.gz GGNOYGRTSSJAEN-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)C2(C)CCCCC2)C(C)(C)C1 ZINC000941002109 613779722 /nfs/dbraw/zinc/77/97/22/613779722.db2.gz FBVOSLPXCXYGLT-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C(C)(C)C1 ZINC000941172429 613784216 /nfs/dbraw/zinc/78/42/16/613784216.db2.gz BVHVOUWUSREQBF-JYJNAYRXSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C)c(C)c2)C[C@H]1C ZINC000947999080 613789823 /nfs/dbraw/zinc/78/98/23/613789823.db2.gz UCEAYRTWZZGTAW-WBVHZDCISA-N 1 1 286.419 3.072 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2Cl)C[C@H]1C ZINC000947958031 613792347 /nfs/dbraw/zinc/79/23/47/613792347.db2.gz OPSITOOJPVXBLY-OLZOCXBDSA-N 1 1 292.810 3.109 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC=CCCC2)C(C)(C)C1 ZINC000974726369 613807710 /nfs/dbraw/zinc/80/77/10/613807710.db2.gz AJJMQGCKZJYYBW-HZPDHXFCSA-N 1 1 290.451 3.136 20 30 CGEDMO CC[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H]1CCCC[C@@H]1C ZINC000120098221 617614227 /nfs/dbraw/zinc/61/42/27/617614227.db2.gz QQCODAUWEMNGPX-QGTPRVQTSA-N 1 1 286.419 3.492 20 30 CGEDMO CCCCCCCCC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000120255894 617659663 /nfs/dbraw/zinc/65/96/63/617659663.db2.gz RHHULRVZMUJUGK-HNNXBMFYSA-N 1 1 280.456 3.338 20 30 CGEDMO C=C(C)CNN=C(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000811651080 617659908 /nfs/dbraw/zinc/65/99/08/617659908.db2.gz GICWYXURNZMOMV-QGZVFWFLSA-N 1 1 271.408 3.050 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(Cc2cccs2)no1 ZINC000899994592 620743327 /nfs/dbraw/zinc/74/33/27/620743327.db2.gz HYTTXOFUAKQJSJ-LLVKDONJSA-N 1 1 263.366 3.078 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC2CC2)C1 ZINC001021494986 618013163 /nfs/dbraw/zinc/01/31/63/618013163.db2.gz FYWZIHYLSAZZOO-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C=C(C)C)C1 ZINC001021509979 618017678 /nfs/dbraw/zinc/01/76/78/618017678.db2.gz DSJXCMXZUDDCJH-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC2(C)CC2)C1 ZINC001021633564 618076891 /nfs/dbraw/zinc/07/68/91/618076891.db2.gz RUHNZQHBZWKCQD-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000934461154 618624880 /nfs/dbraw/zinc/62/48/80/618624880.db2.gz VZPPEHDBZHAWBS-MRXNPFEDSA-N 1 1 265.360 3.294 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1CCC(=O)Nc1cccc(F)c1C ZINC000934466996 618625925 /nfs/dbraw/zinc/62/59/25/618625925.db2.gz LSERJWIWXGJKRI-ZDUSSCGKSA-N 1 1 276.355 3.113 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1nc2cc(Cl)ccc2n1C ZINC000934468147 618626895 /nfs/dbraw/zinc/62/68/95/618626895.db2.gz USBCNZCMTMZHAZ-GFCCVEGCSA-N 1 1 275.783 3.377 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1nc2cc(Cl)ccc2n1C ZINC000934468147 618626901 /nfs/dbraw/zinc/62/69/01/618626901.db2.gz USBCNZCMTMZHAZ-GFCCVEGCSA-N 1 1 275.783 3.377 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1CCCc1nc(-c2ccccc2)no1 ZINC000934470347 618627538 /nfs/dbraw/zinc/62/75/38/618627538.db2.gz CEXSONOKOLNOAC-OAHLLOKOSA-N 1 1 283.375 3.320 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1cc(C)ccc1C ZINC000934472486 618628348 /nfs/dbraw/zinc/62/83/48/618628348.db2.gz RNJQKKFAVFNZRJ-CABCVRRESA-N 1 1 272.392 3.281 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000934472774 618628635 /nfs/dbraw/zinc/62/86/35/618628635.db2.gz UMXOGECGWXAHRL-HNNXBMFYSA-N 1 1 253.349 3.023 20 30 CGEDMO C#CC[NH+]1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1 ZINC000051852497 618655493 /nfs/dbraw/zinc/65/54/93/618655493.db2.gz VRSOWFYBAGATCB-UHFFFAOYSA-N 1 1 283.415 3.413 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H](OCCOC)C1 ZINC000179337906 618776101 /nfs/dbraw/zinc/77/61/01/618776101.db2.gz UHLLKEBCOQAYOJ-HNNXBMFYSA-N 1 1 257.418 3.084 20 30 CGEDMO C#CCOCC[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000851731842 618921260 /nfs/dbraw/zinc/92/12/60/618921260.db2.gz ZLDPOYSRPWKOAD-OAHLLOKOSA-N 1 1 263.768 3.127 20 30 CGEDMO C=CCCCN(CC)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000892825399 618940937 /nfs/dbraw/zinc/94/09/37/618940937.db2.gz YYFFDZWLRUIOFB-MRXNPFEDSA-N 1 1 295.471 3.105 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1ccc(C2CC2)cc1 ZINC000852750527 618961900 /nfs/dbraw/zinc/96/19/00/618961900.db2.gz XPNVKCKASHHUMP-UHFFFAOYSA-N 1 1 257.377 3.036 20 30 CGEDMO CN1C[C@]2(C)C[NH+](CCC3(C#N)CCCCC3)C[C@@]2(C)C1 ZINC000931317566 619143273 /nfs/dbraw/zinc/14/32/73/619143273.db2.gz PBSBZWFJZNKJNR-IAGOWNOFSA-N 1 1 289.467 3.124 20 30 CGEDMO C=C(Br)C[N@@H+]1CCC[C@]1(CCC)COC ZINC000194936547 619144428 /nfs/dbraw/zinc/14/44/28/619144428.db2.gz ZZTGKGXRYQLXQO-GFCCVEGCSA-N 1 1 276.218 3.176 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C2CCC=CCC2)C1 ZINC001009558775 619177722 /nfs/dbraw/zinc/17/77/22/619177722.db2.gz JGTKDNIFUBHISE-KRWDZBQOSA-N 1 1 290.451 3.280 20 30 CGEDMO C[C@@H]1C[C@@H](Nc2nc3ccccc3cc2C#N)CC[N@H+]1C ZINC000094267077 619242672 /nfs/dbraw/zinc/24/26/72/619242672.db2.gz KDSRDVQMUZQDOT-DOMZBBRYSA-N 1 1 280.375 3.001 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cccc2[nH]c(=O)oc21 ZINC000894091812 619370187 /nfs/dbraw/zinc/37/01/87/619370187.db2.gz UAVHESSQHXSRPN-GFCCVEGCSA-N 1 1 258.321 3.074 20 30 CGEDMO CO[C@@]1(C)CCC[N@@H+](Cc2csc(C#N)c2)CC1 ZINC000894170242 619403107 /nfs/dbraw/zinc/40/31/07/619403107.db2.gz AVUJOHOWCWOXME-AWEZNQCLSA-N 1 1 264.394 3.011 20 30 CGEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1csc(C#N)c1 ZINC000894498838 619554556 /nfs/dbraw/zinc/55/45/56/619554556.db2.gz LSZVVLILJPQSCK-AWEZNQCLSA-N 1 1 286.404 3.297 20 30 CGEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1csc(C#N)c1 ZINC000894498838 619554559 /nfs/dbraw/zinc/55/45/59/619554559.db2.gz LSZVVLILJPQSCK-AWEZNQCLSA-N 1 1 286.404 3.297 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1cc2ccnc(Cl)c2s1 ZINC000894573591 619579527 /nfs/dbraw/zinc/57/95/27/619579527.db2.gz FIJUMNKNKCJKJU-VIFPVBQESA-N 1 1 264.781 3.403 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cn(C)nc2C2CCCC2)C1 ZINC000895102513 619729479 /nfs/dbraw/zinc/72/94/79/619729479.db2.gz WUTNCIDHOPFRRE-OAHLLOKOSA-N 1 1 285.435 3.313 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@H](OC3CCC3)C2)cs1 ZINC000895212523 619782100 /nfs/dbraw/zinc/78/21/00/619782100.db2.gz ZDPREDUNFSHAOR-AWEZNQCLSA-N 1 1 276.405 3.153 20 30 CGEDMO N#Cc1cc(C[NH+]2CC(Cc3ccsc3)C2)cs1 ZINC000895516504 619840614 /nfs/dbraw/zinc/84/06/14/619840614.db2.gz TZWJIAWSZIBHQS-UHFFFAOYSA-N 1 1 274.414 3.356 20 30 CGEDMO N#Cc1cc(C[NH+]2CC(Cc3cccs3)C2)cs1 ZINC000895663911 619866668 /nfs/dbraw/zinc/86/66/68/619866668.db2.gz UOXWFZRBIURBHZ-UHFFFAOYSA-N 1 1 274.414 3.356 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1ccnn1C1CCC1 ZINC000895786451 619885292 /nfs/dbraw/zinc/88/52/92/619885292.db2.gz UNJPFJDOZBKMFS-UHFFFAOYSA-N 1 1 294.402 3.154 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1 ZINC000895842710 619892971 /nfs/dbraw/zinc/89/29/71/619892971.db2.gz FGAFNNNCFOIPQZ-SJLPKXTDSA-N 1 1 287.403 3.252 20 30 CGEDMO C=CCC1(O)CC[NH+](Cc2cc(F)cc(Cl)c2)CC1 ZINC000895835634 619894893 /nfs/dbraw/zinc/89/48/93/619894893.db2.gz JRKBZPYDJCVRFO-UHFFFAOYSA-N 1 1 283.774 3.382 20 30 CGEDMO N#Cc1cc(C[NH+]2CCC(Nc3ccccn3)CC2)cs1 ZINC000896193478 619964678 /nfs/dbraw/zinc/96/46/78/619964678.db2.gz XVPISMNXECLFDP-UHFFFAOYSA-N 1 1 298.415 3.091 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCC[C@H](C#N)C2)c(-c2cnn(C)c2)c1 ZINC000896506620 620018788 /nfs/dbraw/zinc/01/87/88/620018788.db2.gz UZBOHABAGGEVSL-OAHLLOKOSA-N 1 1 294.402 3.131 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@H](C#N)C2)c(-c2cnn(C)c2)c1 ZINC000896506620 620018791 /nfs/dbraw/zinc/01/87/91/620018791.db2.gz UZBOHABAGGEVSL-OAHLLOKOSA-N 1 1 294.402 3.131 20 30 CGEDMO CCCc1ccc(C(=O)/C=C/c2c[nH+]c(N(C)C)n2C)cc1 ZINC000840715898 620164362 /nfs/dbraw/zinc/16/43/62/620164362.db2.gz SMZPFKUQFWSGFQ-VAWYXSNFSA-N 1 1 297.402 3.335 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@]2(C)CC=CCC2)CC1 ZINC000985450413 620191759 /nfs/dbraw/zinc/19/17/59/620191759.db2.gz MGLHUQIZLWATFC-GOSISDBHSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@@H]2CCC)CC1 ZINC000985507459 620203107 /nfs/dbraw/zinc/20/31/07/620203107.db2.gz XVIGLDOQHWFASW-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC([N@@H+](C)CCC2CC2)CC1 ZINC000985568813 620213004 /nfs/dbraw/zinc/21/30/04/620213004.db2.gz NZOURQNNHCKJDU-UHFFFAOYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@H]2CC[C@@H](C)C2)CC1 ZINC000985689536 620229617 /nfs/dbraw/zinc/22/96/17/620229617.db2.gz RPLOUZYJUOOYBW-OCCSQVGLSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)C[C@@H](C)C2CC2)CC1 ZINC000985807481 620240595 /nfs/dbraw/zinc/24/05/95/620240595.db2.gz WNWQVKNZZARNOU-GFCCVEGCSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2cscc2C)C1 ZINC001007056534 620397593 /nfs/dbraw/zinc/39/75/93/620397593.db2.gz JWAXEFLYWIZGEM-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000898244425 620496405 /nfs/dbraw/zinc/49/64/05/620496405.db2.gz JWFYUUSDLAITMW-UHFFFAOYSA-N 1 1 294.351 3.097 20 30 CGEDMO N#Cc1cnc(Cl)c(C[NH2+][C@H](c2ccncc2)C2CC2)c1 ZINC000898322027 620506427 /nfs/dbraw/zinc/50/64/27/620506427.db2.gz XIGQIVWBJDBKBO-HNNXBMFYSA-N 1 1 298.777 3.243 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)C2(CC)CCCCC2)CC1 ZINC000989719332 620522412 /nfs/dbraw/zinc/52/24/12/620522412.db2.gz ICAPSNOLFWZESU-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CC[N@H+]1CCCN(C(=O)c2cc3c(cccc3C)o2)CC1 ZINC000989760966 620523674 /nfs/dbraw/zinc/52/36/74/620523674.db2.gz LWDOWVXQTITZIU-UHFFFAOYSA-N 1 1 298.386 3.075 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)c2cc3c(cccc3C)o2)CC1 ZINC000989760966 620523676 /nfs/dbraw/zinc/52/36/76/620523676.db2.gz LWDOWVXQTITZIU-UHFFFAOYSA-N 1 1 298.386 3.075 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)C3CCCCC3)CCC[C@H]12 ZINC000989919151 620532009 /nfs/dbraw/zinc/53/20/09/620532009.db2.gz LBRDHZDSEJBHHH-WMZOPIPTSA-N 1 1 290.451 3.256 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)c3cccs3)CCC[C@@H]12 ZINC000989925107 620532594 /nfs/dbraw/zinc/53/25/94/620532594.db2.gz GYFWBAVDCPOWNB-GDBMZVCRSA-N 1 1 290.432 3.051 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H](C)C3CC3)CCC[C@@H]12 ZINC000990152775 620537557 /nfs/dbraw/zinc/53/75/57/620537557.db2.gz XNHCXNMLIPVZEM-QGPMSJSTSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)C3CC(C)C3)CCC[C@@H]12 ZINC000990178479 620538171 /nfs/dbraw/zinc/53/81/71/620538171.db2.gz YPXYCGWBCJUTAT-AJTLQJAISA-N 1 1 290.451 3.112 20 30 CGEDMO Cc1ccc(C[NH2+][C@H]2CCCc3scnc32)cc1C#N ZINC000926962837 620555872 /nfs/dbraw/zinc/55/58/72/620555872.db2.gz NRDYSAJMAICCPQ-AWEZNQCLSA-N 1 1 283.400 3.490 20 30 CGEDMO CCC[N@@H+]1CC[C@H](CN[C@H](CC)c2cccc(C#N)c2)C1 ZINC000902761552 621430375 /nfs/dbraw/zinc/43/03/75/621430375.db2.gz SJGMDLVAMZDDRB-SJLPKXTDSA-N 1 1 285.435 3.331 20 30 CGEDMO CCC[N@H+]1CC[C@H](CN[C@H](CC)c2cccc(C#N)c2)C1 ZINC000902761552 621430379 /nfs/dbraw/zinc/43/03/79/621430379.db2.gz SJGMDLVAMZDDRB-SJLPKXTDSA-N 1 1 285.435 3.331 20 30 CGEDMO CC[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(C#N)c1 ZINC000902832008 621466629 /nfs/dbraw/zinc/46/66/29/621466629.db2.gz HXHOMAZBBYGVDR-SQNIBIBYSA-N 1 1 285.435 3.472 20 30 CGEDMO C=CCC[C@@H]([NH2+]Cc1cn[nH]c1C)[C@]1(C)CCCCO1 ZINC000902873086 621475933 /nfs/dbraw/zinc/47/59/33/621475933.db2.gz VBFPADJYFRTHEP-CVEARBPZSA-N 1 1 277.412 3.102 20 30 CGEDMO N#CC1(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)CCC1 ZINC000903031678 621535544 /nfs/dbraw/zinc/53/55/44/621535544.db2.gz NCMROQCZLJKXHO-CQSZACIVSA-N 1 1 274.339 3.323 20 30 CGEDMO C[C@H](NC[C@@H]1CC[N@H+]1C1CCCCC1)c1cc(C#N)ccn1 ZINC000903064113 621551814 /nfs/dbraw/zinc/55/18/14/621551814.db2.gz MFAFFXUTTAKYJY-YOEHRIQHSA-N 1 1 298.434 3.011 20 30 CGEDMO C[C@H]([NH2+]C[C@@H]1CCN1C1CCCCC1)c1cc(C#N)ccn1 ZINC000903064113 621551818 /nfs/dbraw/zinc/55/18/18/621551818.db2.gz MFAFFXUTTAKYJY-YOEHRIQHSA-N 1 1 298.434 3.011 20 30 CGEDMO C=C(Cl)C[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903122456 621589381 /nfs/dbraw/zinc/58/93/81/621589381.db2.gz ZATURIUJYKWGHH-SECBINFHSA-N 1 1 270.716 3.007 20 30 CGEDMO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H](c1ncccn1)C1CC1)CC2 ZINC000903326599 621700558 /nfs/dbraw/zinc/70/05/58/621700558.db2.gz YZNSFUUKAHRKIC-IAGOWNOFSA-N 1 1 290.370 3.076 20 30 CGEDMO C=CCC[C@H]([NH2+][C@@H](CCN(C)C)c1cccnc1)C1CC1 ZINC000903378882 621721162 /nfs/dbraw/zinc/72/11/62/621721162.db2.gz FCBIQYNVMGBHQF-ROUUACIJSA-N 1 1 287.451 3.409 20 30 CGEDMO C=CC[C@@H]1CC[C@H](N[C@@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000903376162 621721456 /nfs/dbraw/zinc/72/14/56/621721456.db2.gz AOXOOKWVMSTGGI-NJAFHUGGSA-N 1 1 287.451 3.409 20 30 CGEDMO C=CC[C@@H]1CC[C@@H](N[C@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000903376161 621721709 /nfs/dbraw/zinc/72/17/09/621721709.db2.gz AOXOOKWVMSTGGI-KBAYOESNSA-N 1 1 287.451 3.409 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCCC[C@H]2C2(CN)CCC2)cc1 ZINC000903812597 621814834 /nfs/dbraw/zinc/81/48/34/621814834.db2.gz UNZKUQOJLZTRSP-SFHVURJKSA-N 1 1 297.446 3.084 20 30 CGEDMO N#Cc1ccc(CC[N@@H+]2CCCC[C@H]2C2(CN)CCC2)cc1 ZINC000903812597 621814837 /nfs/dbraw/zinc/81/48/37/621814837.db2.gz UNZKUQOJLZTRSP-SFHVURJKSA-N 1 1 297.446 3.084 20 30 CGEDMO C=CC[N@H+](Cc1cc(OC)c(OCC)c(OC)c1)C(C)C ZINC000768551622 625541213 /nfs/dbraw/zinc/54/12/13/625541213.db2.gz RAMCKLCTMOEHOV-UHFFFAOYSA-N 1 1 293.407 3.499 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[NH2+][C@H](c2ccccc2C)C1 ZINC000913479107 622776956 /nfs/dbraw/zinc/77/69/56/622776956.db2.gz SLAJFWDHRUAUKN-INIZCTEOSA-N 1 1 286.419 3.070 20 30 CGEDMO C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC2(C)C)CC1 ZINC000997023944 625609713 /nfs/dbraw/zinc/60/97/13/625609713.db2.gz UKIFRIPTCQGPIF-OCCSQVGLSA-N 1 1 298.858 3.002 20 30 CGEDMO C#CC[N@@H+](CCc1cccnc1)[C@@H]1CCc2ccccc21 ZINC000172074201 623216276 /nfs/dbraw/zinc/21/62/76/623216276.db2.gz XJEKAGOWEJSDAJ-LJQANCHMSA-N 1 1 276.383 3.247 20 30 CGEDMO NC(=[NH+]OCc1ccccc1OC(F)F)C1CCCC1 ZINC000172172446 623229919 /nfs/dbraw/zinc/22/99/19/623229919.db2.gz RQTXYEFBXTYGLV-UHFFFAOYSA-N 1 1 284.306 3.267 20 30 CGEDMO CC(C)[N@H+]1CCCN(Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000929491970 623426146 /nfs/dbraw/zinc/42/61/46/623426146.db2.gz ADDNIWCKLNSDFQ-UHFFFAOYSA-N 1 1 291.826 3.128 20 30 CGEDMO C=C1CCC(C(=O)N[C@]23CCC[C@H]2[N@@H+](C(C)C)CC3)CC1 ZINC000992153598 623452504 /nfs/dbraw/zinc/45/25/04/623452504.db2.gz PNBGMWJJRYXSJQ-AEFFLSMTSA-N 1 1 290.451 3.254 20 30 CGEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)C=NOCC(F)F ZINC000758906492 623515860 /nfs/dbraw/zinc/51/58/60/623515860.db2.gz INNMGUXUZKAQMO-UHFFFAOYSA-N 1 1 284.350 3.412 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2cccs2)[C@@H]1C ZINC000993004054 623784639 /nfs/dbraw/zinc/78/46/39/623784639.db2.gz DSXHCVMPVRGPDU-UONOGXRCSA-N 1 1 292.448 3.297 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C)o2)[C@H]1C ZINC000993003747 623784662 /nfs/dbraw/zinc/78/46/62/623784662.db2.gz LLSDQUHMMCKPBX-CABCVRRESA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2occc2C)[C@@H]1C ZINC000993041806 623801787 /nfs/dbraw/zinc/80/17/87/623801787.db2.gz UAYRYONGGIRETL-LSDHHAIUSA-N 1 1 290.407 3.137 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCS[C@H]3COCC[C@@H]32)CCC1 ZINC000929856265 623881570 /nfs/dbraw/zinc/88/15/70/623881570.db2.gz VCEPIQQVVHDCJJ-GJZGRUSLSA-N 1 1 294.464 3.057 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C2C(C)(C)C2(C)C)[C@H]1C ZINC000993185172 623907397 /nfs/dbraw/zinc/90/73/97/623907397.db2.gz NXPCSMAAKGYHQY-KGLIPLIRSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C2C(C)(C)C2(C)C)[C@H]1C ZINC000993186356 623910128 /nfs/dbraw/zinc/91/01/28/623910128.db2.gz PJGDXMBCRRIDPD-ZIAGYGMSSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)=C2CCCC2)[C@@H]1C ZINC000993209605 623964289 /nfs/dbraw/zinc/96/42/89/623964289.db2.gz ZZIPTCOOKOMGAK-DOTOQJQBSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000765638879 624033972 /nfs/dbraw/zinc/03/39/72/624033972.db2.gz MVECQHKJLKMBEF-UHFFFAOYSA-N 1 1 281.783 3.484 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2C(C)C)[C@H]1C ZINC000993408827 624042830 /nfs/dbraw/zinc/04/28/30/624042830.db2.gz FESQIJXXUWTLQL-QAPCUYQASA-N 1 1 298.430 3.026 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC)o2)[C@@H]1C ZINC000993500353 624051231 /nfs/dbraw/zinc/05/12/31/624051231.db2.gz SIQHSPBNUXBVML-ZFWWWQNUSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C23CCC(CC2)C3)[C@@H]1C ZINC000993490022 624053288 /nfs/dbraw/zinc/05/32/88/624053288.db2.gz TWOCOSVITOIWDB-UERKLNTKSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@H]1C ZINC000994251576 624130122 /nfs/dbraw/zinc/13/01/22/624130122.db2.gz NAHVRPLKYGGWMB-VQHPVUNQSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C)cc2C)[C@H]1C ZINC000994344683 624205442 /nfs/dbraw/zinc/20/54/42/624205442.db2.gz CUTDHWVRIVGHNW-NVXWUHKLSA-N 1 1 286.419 3.072 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1ccccc1CC)C(C)C ZINC000917071637 624233702 /nfs/dbraw/zinc/23/37/02/624233702.db2.gz WXILRHIYBATSIQ-UHFFFAOYSA-N 1 1 260.381 3.084 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1ccccc1CC)C(C)C ZINC000917071637 624233712 /nfs/dbraw/zinc/23/37/12/624233712.db2.gz WXILRHIYBATSIQ-UHFFFAOYSA-N 1 1 260.381 3.084 20 30 CGEDMO C=CC[N@H+](CCOc1ccc(OCC)cc1)C(C)C ZINC000917070965 624234277 /nfs/dbraw/zinc/23/42/77/624234277.db2.gz KZHALNNCMVCLFV-UHFFFAOYSA-N 1 1 263.381 3.361 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(F)s2)[C@H]1C ZINC000994503138 624243265 /nfs/dbraw/zinc/24/32/65/624243265.db2.gz DTGVWRBSIZKHEM-VXGBXAGGSA-N 1 1 296.411 3.046 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1cc(Cl)ccc1F)C(C)C ZINC000917167140 624248552 /nfs/dbraw/zinc/24/85/52/624248552.db2.gz WJRYQTDHAKXHCY-UHFFFAOYSA-N 1 1 284.762 3.314 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1F)C(C)C ZINC000917167140 624248555 /nfs/dbraw/zinc/24/85/55/624248555.db2.gz WJRYQTDHAKXHCY-UHFFFAOYSA-N 1 1 284.762 3.314 20 30 CGEDMO C=CC[N@@H+](Cc1cncc(Br)c1)C(C)C ZINC000917168744 624249622 /nfs/dbraw/zinc/24/96/22/624249622.db2.gz ZQLJYFPMJRRMIH-UHFFFAOYSA-N 1 1 269.186 3.241 20 30 CGEDMO C[N@H+]1CCC[C@H]1CSc1cccc(Cl)c1C#N ZINC000917408079 624267938 /nfs/dbraw/zinc/26/79/38/624267938.db2.gz UJWZLHUHJFQXGH-JTQLQIEISA-N 1 1 266.797 3.398 20 30 CGEDMO C=CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000917830420 624315307 /nfs/dbraw/zinc/31/53/07/624315307.db2.gz KXHHVOMVXMPSLT-UHFFFAOYSA-N 1 1 278.352 3.260 20 30 CGEDMO CC(=NN1CC[NH+](C)CC1)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000920357538 624480499 /nfs/dbraw/zinc/48/04/99/624480499.db2.gz XMXQXUIPXYZHPU-HUUCEWRRSA-N 1 1 291.826 3.067 20 30 CGEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1O ZINC000179564845 624665791 /nfs/dbraw/zinc/66/57/91/624665791.db2.gz YBYBWAIEEJOJGG-UHFFFAOYSA-N 1 1 298.342 3.489 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000183397367 625067259 /nfs/dbraw/zinc/06/72/59/625067259.db2.gz PBMMAPYMAVCESX-CYBMUJFWSA-N 1 1 255.720 3.031 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000183397367 625067264 /nfs/dbraw/zinc/06/72/64/625067264.db2.gz PBMMAPYMAVCESX-CYBMUJFWSA-N 1 1 255.720 3.031 20 30 CGEDMO C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)C2CC(C)C2)CC1 ZINC000997537862 625728847 /nfs/dbraw/zinc/72/88/47/625728847.db2.gz DUMMXDKDNNPAMI-QRJNDHJOSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C[C@@](C)(CC)COC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000835335755 634456429 /nfs/dbraw/zinc/45/64/29/634456429.db2.gz DRDPSBNYWMMYIG-INIZCTEOSA-N 1 1 285.347 3.026 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)C2=CCCCCC2)CC1 ZINC001000622011 625879416 /nfs/dbraw/zinc/87/94/16/625879416.db2.gz SNTOCJQVQWEHJX-UHFFFAOYSA-N 1 1 288.435 3.201 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC(C)=C(C)C2)CC1 ZINC001000732110 625880260 /nfs/dbraw/zinc/88/02/60/625880260.db2.gz XYPDTRANLDMGFL-KRWDZBQOSA-N 1 1 288.435 3.057 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000921818565 625888828 /nfs/dbraw/zinc/88/88/28/625888828.db2.gz QCUOCPVLMSJKMB-DLBZAZTESA-N 1 1 285.435 3.138 20 30 CGEDMO CC(C)C[N@H+]1CCC[C@H](CNCc2csc(C#N)c2)C1 ZINC000921915343 625928291 /nfs/dbraw/zinc/92/82/91/625928291.db2.gz TYJKFLSGCZLVEW-CQSZACIVSA-N 1 1 291.464 3.077 20 30 CGEDMO C#Cc1ccc(C[NH2+]Cc2c(Cl)n[nH]c2C2CC2)cc1 ZINC000922154641 625973995 /nfs/dbraw/zinc/97/39/95/625973995.db2.gz MMCINDHUBAPLCC-UHFFFAOYSA-N 1 1 285.778 3.212 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC001003294977 625976658 /nfs/dbraw/zinc/97/66/58/625976658.db2.gz UVUAMOPUWSWPFW-ZIAGYGMSSA-N 1 1 298.858 3.002 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000922237663 625988585 /nfs/dbraw/zinc/98/85/85/625988585.db2.gz MIOQQPDXACAJGP-INIZCTEOSA-N 1 1 285.435 3.138 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000922237663 625988587 /nfs/dbraw/zinc/98/85/87/625988587.db2.gz MIOQQPDXACAJGP-INIZCTEOSA-N 1 1 285.435 3.138 20 30 CGEDMO CC(C)[C@H]1CCCC1=[NH+]n1cc(Br)cn1 ZINC000752746362 626437226 /nfs/dbraw/zinc/43/72/26/626437226.db2.gz IYJJSJHNUJCMRV-SNVBAGLBSA-N 1 1 270.174 3.306 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@H+]2CCC(C)(C)C2)c1O ZINC000754738317 626585501 /nfs/dbraw/zinc/58/55/01/626585501.db2.gz XHNRPZUDVSHUDD-UHFFFAOYSA-N 1 1 275.392 3.361 20 30 CGEDMO CCc1[nH+]c(C=NNc2cccc(OC)c2)c2ccccn21 ZINC000755607994 626631875 /nfs/dbraw/zinc/63/18/75/626631875.db2.gz GGWGYBJYYRNJOG-UHFFFAOYSA-N 1 1 294.358 3.351 20 30 CGEDMO C[C@@H]1C[N@@H+](C2CC2)CC1N=Nc1nc2ccccc2s1 ZINC000755872305 626655460 /nfs/dbraw/zinc/65/54/60/626655460.db2.gz BCCSYIIESVEWEL-SNVBAGLBSA-N 1 1 286.404 3.178 20 30 CGEDMO C[C@@H]1C[N@H+](C2CC2)CC1N=Nc1nc2ccccc2s1 ZINC000755872305 626655464 /nfs/dbraw/zinc/65/54/64/626655464.db2.gz BCCSYIIESVEWEL-SNVBAGLBSA-N 1 1 286.404 3.178 20 30 CGEDMO CCOC(=O)/C=C/C[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000756094309 626676301 /nfs/dbraw/zinc/67/63/01/626676301.db2.gz RDCSTTULJFOIMJ-PSKZRQQASA-N 1 1 286.375 3.060 20 30 CGEDMO C#CC[C@H]([NH2+]Cc1cn2cccc(F)c2n1)c1ccccc1 ZINC000756996153 626746075 /nfs/dbraw/zinc/74/60/75/626746075.db2.gz OUHRIWHPGJAJQO-KRWDZBQOSA-N 1 1 293.345 3.328 20 30 CGEDMO C#CC[C@H]([NH2+]Cc1ccccc1C#N)c1ccccc1 ZINC000756996669 626746212 /nfs/dbraw/zinc/74/62/12/626746212.db2.gz HRVZMDGHLORLOK-SFHVURJKSA-N 1 1 260.340 3.412 20 30 CGEDMO C[C@H]1CC(N=Nc2ccc(F)cn2)C[N@H+]1Cc1ccccc1 ZINC000757573658 626788962 /nfs/dbraw/zinc/78/89/62/626788962.db2.gz DHDXUZFKJYZIIC-ZDUSSCGKSA-N 1 1 298.365 3.283 20 30 CGEDMO C=CC[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)C1CC1 ZINC000757924070 626814769 /nfs/dbraw/zinc/81/47/69/626814769.db2.gz VNLQYFPRJQQMCV-CYBMUJFWSA-N 1 1 256.349 3.128 20 30 CGEDMO C[N@H+]1CCCC(N=Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000758119223 626828079 /nfs/dbraw/zinc/82/80/79/626828079.db2.gz CCIFPFGEYUSYNY-UHFFFAOYSA-N 1 1 296.758 3.132 20 30 CGEDMO C(=[NH+]Nc1ccccc1)c1ccc(N2CCCC2)nc1 ZINC000758354500 626838240 /nfs/dbraw/zinc/83/82/40/626838240.db2.gz HXPWLNFKEXJEHL-UHFFFAOYSA-N 1 1 266.348 3.128 20 30 CGEDMO CC(C)C[N@H+](CCC#N)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759043082 626871754 /nfs/dbraw/zinc/87/17/54/626871754.db2.gz CLEMBAXKWXCQQW-HNNXBMFYSA-N 1 1 298.789 3.384 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759043082 626871755 /nfs/dbraw/zinc/87/17/55/626871755.db2.gz CLEMBAXKWXCQQW-HNNXBMFYSA-N 1 1 298.789 3.384 20 30 CGEDMO C=CC[N@@H+](C[C@@H](O)c1ccc(Cl)c(F)c1)C(C)C ZINC000759846078 626926042 /nfs/dbraw/zinc/92/60/42/626926042.db2.gz WAXDAZSLZIOOJJ-CQSZACIVSA-N 1 1 271.763 3.409 20 30 CGEDMO C=C1CC[NH+](C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759860584 626927929 /nfs/dbraw/zinc/92/79/29/626927929.db2.gz CHSYKYIHGSFMIC-AWEZNQCLSA-N 1 1 269.747 3.165 20 30 CGEDMO C=CCCC[N@H+](C)CC(C)(C)NC(=O)OC(C)(C)C ZINC000761202798 627025081 /nfs/dbraw/zinc/02/50/81/627025081.db2.gz MLEQVAQGVVGGKW-UHFFFAOYSA-N 1 1 270.417 3.188 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)CCN1CCCc2ccccc21 ZINC000761663802 627055403 /nfs/dbraw/zinc/05/54/03/627055403.db2.gz ZUZCNZGLKLEYAS-UHFFFAOYSA-N 1 1 285.435 3.311 20 30 CGEDMO C#CCCN1CC[NH+]([C@H](CC)c2ccc(Cl)cc2)CC1 ZINC000762299510 627105055 /nfs/dbraw/zinc/10/50/55/627105055.db2.gz UQXDTJZTODVVPF-QGZVFWFLSA-N 1 1 290.838 3.432 20 30 CGEDMO CCC(CC)[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000763405413 627156621 /nfs/dbraw/zinc/15/66/21/627156621.db2.gz AOKRRTAFGREOPH-QGZVFWFLSA-N 1 1 272.392 3.245 20 30 CGEDMO C#CC[N@H+](Cc1ccn(C2CCCC2)n1)C1CCCC1 ZINC000763413304 627157013 /nfs/dbraw/zinc/15/70/13/627157013.db2.gz KDQCMSLELZUISU-UHFFFAOYSA-N 1 1 271.408 3.376 20 30 CGEDMO C#CC[N@@H+](Cc1ccn(C2CCCC2)n1)C1CCCC1 ZINC000763413304 627157014 /nfs/dbraw/zinc/15/70/14/627157014.db2.gz KDQCMSLELZUISU-UHFFFAOYSA-N 1 1 271.408 3.376 20 30 CGEDMO C#CC[N@H+](Cc1cc(Cl)c2c(c1)OCCCO2)C1CC1 ZINC000763948668 627186444 /nfs/dbraw/zinc/18/64/44/627186444.db2.gz FPEDAZCNUMZLSH-UHFFFAOYSA-N 1 1 291.778 3.099 20 30 CGEDMO C#CC[N@H+](Cc1ccc(-n2nc(C)cc2C)cc1)C1CC1 ZINC000763950854 627187130 /nfs/dbraw/zinc/18/71/30/627187130.db2.gz OZHLZKVGIXAVND-UHFFFAOYSA-N 1 1 279.387 3.087 20 30 CGEDMO C#CC[N@H+](Cc1sc2nc(C)nc(C)c2c1C)C1CC1 ZINC000764681862 627218258 /nfs/dbraw/zinc/21/82/58/627218258.db2.gz KOAZTUYJLZHTQJ-UHFFFAOYSA-N 1 1 285.416 3.214 20 30 CGEDMO C#CCCC[N@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000766896481 627368599 /nfs/dbraw/zinc/36/85/99/627368599.db2.gz PLNQBQSHHQJNGK-UHFFFAOYSA-N 1 1 271.282 3.430 20 30 CGEDMO C#CCCCOC(=O)c1ccc(C[N@H+](CC)CCC)cc1 ZINC000766901430 627368654 /nfs/dbraw/zinc/36/86/54/627368654.db2.gz YFQWPGGZRPWFQU-UHFFFAOYSA-N 1 1 287.403 3.489 20 30 CGEDMO CC#CCCCCOC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000768112498 627460244 /nfs/dbraw/zinc/46/02/44/627460244.db2.gz FJUIFXOXMDGQEL-SFHVURJKSA-N 1 1 299.414 3.388 20 30 CGEDMO CC#CCCCCOC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000768112498 627460249 /nfs/dbraw/zinc/46/02/49/627460249.db2.gz FJUIFXOXMDGQEL-SFHVURJKSA-N 1 1 299.414 3.388 20 30 CGEDMO C=CC[N@@H+](Cc1cnc(-c2ccccc2)[nH]1)C(C)C ZINC000768547988 627485914 /nfs/dbraw/zinc/48/59/14/627485914.db2.gz UVMNBMGUGMASRR-UHFFFAOYSA-N 1 1 255.365 3.473 20 30 CGEDMO C=CC[N@H+](Cc1c[nH]c(-c2ccccc2)n1)C(C)C ZINC000768547988 627485918 /nfs/dbraw/zinc/48/59/18/627485918.db2.gz UVMNBMGUGMASRR-UHFFFAOYSA-N 1 1 255.365 3.473 20 30 CGEDMO C=CC[N@@H+](Cc1c[nH]c(-c2ccccc2)n1)C(C)C ZINC000768547988 627485920 /nfs/dbraw/zinc/48/59/20/627485920.db2.gz UVMNBMGUGMASRR-UHFFFAOYSA-N 1 1 255.365 3.473 20 30 CGEDMO CC(C)[N@@H+](CCC#N)Cc1cc(Cl)ccc1O ZINC000768764845 627497002 /nfs/dbraw/zinc/49/70/02/627497002.db2.gz PJYMKHHHRNAKPP-UHFFFAOYSA-N 1 1 252.745 3.170 20 30 CGEDMO C#CC[N@H+](Cc1cn2cccc(F)c2n1)C1CCCCC1 ZINC000769146322 627526016 /nfs/dbraw/zinc/52/60/16/627526016.db2.gz UAIUCFUYFWZCHY-UHFFFAOYSA-N 1 1 285.366 3.241 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CCC[C@@H]2C2CC2)cc1 ZINC000769328462 627541856 /nfs/dbraw/zinc/54/18/56/627541856.db2.gz ILPFEKZZDLBQFL-GOSISDBHSA-N 1 1 269.388 3.463 20 30 CGEDMO Fc1cccc(Cl)c1N=NC1CC[N@H+]2CCC[C@H]12 ZINC000769827229 627582400 /nfs/dbraw/zinc/58/24/00/627582400.db2.gz RZCSXRUJZZWLOD-GFCCVEGCSA-N 1 1 267.735 3.115 20 30 CGEDMO N#Cc1ccc(OCCC[N@H+]2CCCC23CCC3)cc1 ZINC000769982608 627595083 /nfs/dbraw/zinc/59/50/83/627595083.db2.gz AJJPJWVWEFEWAA-UHFFFAOYSA-N 1 1 270.376 3.346 20 30 CGEDMO CCCCCC[N@@H+](C)CC(=O)Nc1cccc(C#N)c1C ZINC000770334517 627614376 /nfs/dbraw/zinc/61/43/76/627614376.db2.gz SFQRTWHLISITEL-UHFFFAOYSA-N 1 1 287.407 3.317 20 30 CGEDMO C[C@H](CC#N)NN=C1CCCC[C@H]1[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000771886948 627740752 /nfs/dbraw/zinc/74/07/52/627740752.db2.gz AUUZVFAZFXTILN-JYYAWHABSA-N 1 1 290.455 3.155 20 30 CGEDMO C[N@H+]1CCCC(=NN[C@H]2CCCCC2(C)C)CC1 ZINC000773126479 627859740 /nfs/dbraw/zinc/85/97/40/627859740.db2.gz STLXIJJKZHGZGV-AWEZNQCLSA-N 1 1 251.418 3.017 20 30 CGEDMO C[C@@H]1CC(=NN[C@H]2CCCCC2(C)C)CC[N@H+]1C ZINC000773125496 627859948 /nfs/dbraw/zinc/85/99/48/627859948.db2.gz PIRRLEHNXJRHGA-OCCSQVGLSA-N 1 1 251.418 3.015 20 30 CGEDMO C=C(CC)C[N@H+]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000773425726 627882594 /nfs/dbraw/zinc/88/25/94/627882594.db2.gz BORSTEUKHKVCDH-CQSZACIVSA-N 1 1 282.428 3.332 20 30 CGEDMO C=C(Cl)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000774250106 627969139 /nfs/dbraw/zinc/96/91/39/627969139.db2.gz CSYXPLAEYDOGRF-ZDUSSCGKSA-N 1 1 266.728 3.314 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(OC)c(O[C@H](C)CC)c1 ZINC000775178342 628069449 /nfs/dbraw/zinc/06/94/49/628069449.db2.gz HEGKWKGYVRHAPI-UONOGXRCSA-N 1 1 275.392 3.326 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(Br)c(C)c1 ZINC000775182552 628069544 /nfs/dbraw/zinc/06/95/44/628069544.db2.gz CEUDRSYEKOLQKK-NSHDSACASA-N 1 1 266.182 3.211 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(OC(F)F)c(OCC)c1 ZINC000775183404 628069695 /nfs/dbraw/zinc/06/96/95/628069695.db2.gz KXMHNDXKRXEOMP-NSHDSACASA-N 1 1 283.318 3.140 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000775178411 628069726 /nfs/dbraw/zinc/06/97/26/628069726.db2.gz JVMHWXGXHHECIN-GFCCVEGCSA-N 1 1 284.315 3.308 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(OC)c(OCC(=C)C)c1 ZINC000775184328 628070567 /nfs/dbraw/zinc/07/05/67/628070567.db2.gz VSEGOLLOBOUPNY-AWEZNQCLSA-N 1 1 273.376 3.104 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000775183603 628070873 /nfs/dbraw/zinc/07/08/73/628070873.db2.gz PSRJKUFTLSXMCX-HNNXBMFYSA-N 1 1 256.393 3.130 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000775183531 628071067 /nfs/dbraw/zinc/07/10/67/628071067.db2.gz NURNMPLCDLLISG-HNNXBMFYSA-N 1 1 295.382 3.425 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(C)ccc1OC(F)F ZINC000775184047 628071214 /nfs/dbraw/zinc/07/12/14/628071214.db2.gz UBGQANOIKJVXKK-LLVKDONJSA-N 1 1 253.292 3.050 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1C(=O)OCc1ccccc1 ZINC000775607436 628113239 /nfs/dbraw/zinc/11/32/39/628113239.db2.gz ZSMPAHTXQRVBPG-INIZCTEOSA-N 1 1 273.376 3.160 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000778232403 628336001 /nfs/dbraw/zinc/33/60/01/628336001.db2.gz UYZLJKILUYAFOK-CYBMUJFWSA-N 1 1 273.298 3.247 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)C[C@@H](O)c1ccccc1C ZINC000778995986 628381482 /nfs/dbraw/zinc/38/14/82/628381482.db2.gz HYVKGJLJGIDYDE-GOSISDBHSA-N 1 1 285.387 3.352 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)C[C@H](O)c1cccc(F)c1 ZINC000778996423 628382200 /nfs/dbraw/zinc/38/22/00/628382200.db2.gz OMFMAXXLDWYYOC-KRWDZBQOSA-N 1 1 289.350 3.183 20 30 CGEDMO C=C(C)C[N@@H+](CC)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000779473978 628415152 /nfs/dbraw/zinc/41/51/52/628415152.db2.gz LWFGCJVQGVDHCU-CQSZACIVSA-N 1 1 282.428 3.284 20 30 CGEDMO CC[C@H]1CCCCC1=[NH+]n1cc(Br)cn1 ZINC000779782932 628430196 /nfs/dbraw/zinc/43/01/96/628430196.db2.gz JWUDMQOXLRGUBM-VIFPVBQESA-N 1 1 270.174 3.450 20 30 CGEDMO CC(=NNc1cc[nH+]cc1)c1cc(C)c(F)c(C)c1 ZINC000779808692 628433362 /nfs/dbraw/zinc/43/33/62/628433362.db2.gz OGTWAVVKMIASDP-UHFFFAOYSA-N 1 1 257.312 3.096 20 30 CGEDMO COc1cc(Cl)c(C=NNc2cc[nH+]cc2)cc1Cl ZINC000779808557 628433397 /nfs/dbraw/zinc/43/33/97/628433397.db2.gz LVXMHDIMANQMQS-UHFFFAOYSA-N 1 1 296.157 3.265 20 30 CGEDMO CCOc1ccc(Cl)cc1C(C)=NNc1cc[nH+]cc1 ZINC000779810828 628433874 /nfs/dbraw/zinc/43/38/74/628433874.db2.gz IYFSZNWAGIEELK-UHFFFAOYSA-N 1 1 289.766 3.392 20 30 CGEDMO Clc1cccc2c1OCCCC2=NNc1cc[nH+]cc1 ZINC000779809822 628433975 /nfs/dbraw/zinc/43/39/75/628433975.db2.gz VLIVXNYGBGRXJC-UHFFFAOYSA-N 1 1 287.750 3.146 20 30 CGEDMO C(=[NH+][N-]c1cc[nH+]cc1)c1ccc(N2CCCCC2)s1 ZINC000779810178 628434173 /nfs/dbraw/zinc/43/41/73/628434173.db2.gz YPJDWIQJRMHDSL-UHFFFAOYSA-N 1 1 286.404 3.001 20 30 CGEDMO C(=NNc1cc[nH+]cc1)c1nc(-c2ccccc2)cs1 ZINC000779812025 628434502 /nfs/dbraw/zinc/43/45/02/628434502.db2.gz WQZIGGUPOVAUBN-UHFFFAOYSA-N 1 1 280.356 3.073 20 30 CGEDMO N#Cc1ccc(CNc2cc[nH+]c3ccc(Cl)cc23)nc1 ZINC000780609125 628504189 /nfs/dbraw/zinc/50/41/89/628504189.db2.gz CCNKJUGCFXZJHB-UHFFFAOYSA-N 1 1 294.745 3.189 20 30 CGEDMO C=C(Br)C[N@@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000782104887 628613787 /nfs/dbraw/zinc/61/37/87/628613787.db2.gz ADXADEHPNDIGRD-ZYHUDNBSSA-N 1 1 258.203 3.407 20 30 CGEDMO C=C(Cl)C[N@@H+](Cc1ccccc1)C[C@](C)(O)CC ZINC000784398629 628812751 /nfs/dbraw/zinc/81/27/51/628812751.db2.gz SUWCUXHHYSLELA-OAHLLOKOSA-N 1 1 267.800 3.402 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000784482306 628815560 /nfs/dbraw/zinc/81/55/60/628815560.db2.gz HHFSJKAVJHFXJI-GFCCVEGCSA-N 1 1 253.267 3.128 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc(F)cc1F ZINC000785998158 628906563 /nfs/dbraw/zinc/90/65/63/628906563.db2.gz XBDMIJUBHIPINZ-IUODEOHRSA-N 1 1 267.319 3.039 20 30 CGEDMO C#CCCC[N@H+](CCC)[C@@H](C)C(=O)Nc1ccccc1C ZINC000786129486 628915472 /nfs/dbraw/zinc/91/54/72/628915472.db2.gz RXFNMNKPLICPIN-INIZCTEOSA-N 1 1 286.419 3.447 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(OCC)ccc1O ZINC000787307929 629008144 /nfs/dbraw/zinc/00/81/44/629008144.db2.gz AKRXMGJKHTVAAA-CQSZACIVSA-N 1 1 261.365 3.331 20 30 CGEDMO C#CCCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788778472 629081588 /nfs/dbraw/zinc/08/15/88/629081588.db2.gz RSBMRGANSMAUHD-JTQLQIEISA-N 1 1 271.282 3.475 20 30 CGEDMO COc1cccc(N[NH+]=Cc2ccc(N(C)C(C)C)nc2)c1 ZINC000790153876 629187499 /nfs/dbraw/zinc/18/74/99/629187499.db2.gz NSESAMOJTIIICG-UHFFFAOYSA-N 1 1 298.390 3.381 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(OCC)c(OC)cc2F)C1 ZINC000862402355 629363657 /nfs/dbraw/zinc/36/36/57/629363657.db2.gz LRBVKRRHENOHNJ-CYBMUJFWSA-N 1 1 291.366 3.078 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(OCC)c(OC)cc2F)C1 ZINC000862402355 629363659 /nfs/dbraw/zinc/36/36/59/629363659.db2.gz LRBVKRRHENOHNJ-CYBMUJFWSA-N 1 1 291.366 3.078 20 30 CGEDMO CCCCCCCNC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000875764549 634729731 /nfs/dbraw/zinc/72/97/31/634729731.db2.gz KNWZXZHNSDYTAX-JKSUJKDBSA-N 1 1 297.487 3.329 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2occc2Br)C1 ZINC000862441119 629373004 /nfs/dbraw/zinc/37/30/04/629373004.db2.gz ORWHXNYCUDDJDL-JTQLQIEISA-N 1 1 270.170 3.440 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000862443147 629375540 /nfs/dbraw/zinc/37/55/40/629375540.db2.gz LETHBPVSJMNQQT-CQSZACIVSA-N 1 1 250.345 3.080 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000862443627 629376300 /nfs/dbraw/zinc/37/63/00/629376300.db2.gz RHBVGNDAZBWBRN-GFCCVEGCSA-N 1 1 265.303 3.133 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(SC)c(OC)c2)C1 ZINC000862443490 629376987 /nfs/dbraw/zinc/37/69/87/629376987.db2.gz PPHBSCDHKKGTQI-CYBMUJFWSA-N 1 1 275.417 3.262 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cc3c(cccc3C)[nH]2)C1 ZINC000862446812 629379441 /nfs/dbraw/zinc/37/94/41/629379441.db2.gz FNDREMRTLWWBAL-AWEZNQCLSA-N 1 1 252.361 3.322 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(C)cc2-c2ccnn2C)C1 ZINC000862447269 629380119 /nfs/dbraw/zinc/38/01/19/629380119.db2.gz KTSZIAUZIMZWIL-INIZCTEOSA-N 1 1 293.414 3.241 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000862447986 629381324 /nfs/dbraw/zinc/38/13/24/629381324.db2.gz UAAWRQOSBCWCTP-LLVKDONJSA-N 1 1 283.293 3.256 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cn(-c3cccc(C)c3)nc2C)C1 ZINC000862448331 629381754 /nfs/dbraw/zinc/38/17/54/629381754.db2.gz XHGVQEJHFXELEQ-KRWDZBQOSA-N 1 1 293.414 3.334 20 30 CGEDMO C[C@@H](C[N@@H+](C)CC(C)(C)CCC#N)NC(=O)OC(C)(C)C ZINC000862540808 629396329 /nfs/dbraw/zinc/39/63/29/629396329.db2.gz JWOMDKYQHLXTCS-ZDUSSCGKSA-N 1 1 297.443 3.161 20 30 CGEDMO Cc1nc(F)ccc1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000862542242 629397348 /nfs/dbraw/zinc/39/73/48/629397348.db2.gz JORZFPDXWZHFRB-UHFFFAOYSA-N 1 1 295.361 3.154 20 30 CGEDMO Cc1nc(F)ccc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000862542242 629397351 /nfs/dbraw/zinc/39/73/51/629397351.db2.gz JORZFPDXWZHFRB-UHFFFAOYSA-N 1 1 295.361 3.154 20 30 CGEDMO C[C@H]1C[N@H+](Cc2ccccc2)CC1=NNCCC(F)(F)F ZINC000794547183 629554012 /nfs/dbraw/zinc/55/40/12/629554012.db2.gz FKJBZKWQYHDSGG-LBPRGKRZSA-N 1 1 299.340 3.036 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC1=NNCCC(F)(F)F ZINC000794547183 629554018 /nfs/dbraw/zinc/55/40/18/629554018.db2.gz FKJBZKWQYHDSGG-LBPRGKRZSA-N 1 1 299.340 3.036 20 30 CGEDMO N#CC1(C[NH2+]C[C@H](O)c2cc(F)ccc2F)CCCCC1 ZINC000863577399 629609434 /nfs/dbraw/zinc/60/94/34/629609434.db2.gz YLJOCJRDLSIBBN-HNNXBMFYSA-N 1 1 294.345 3.062 20 30 CGEDMO C#CCN1CC[N@H+](CCCc2ccccc2)C[C@H]1CC(C)C ZINC000795123105 629634780 /nfs/dbraw/zinc/63/47/80/629634780.db2.gz PHIXVMRUJYWORW-HXUWFJFHSA-N 1 1 298.474 3.285 20 30 CGEDMO C=CCCC[N@@H+](C)CN1Cc2c(cccc2Cl)C1=O ZINC000795427358 629674181 /nfs/dbraw/zinc/67/41/81/629674181.db2.gz KBNOBHIYNFOZHX-UHFFFAOYSA-N 1 1 278.783 3.151 20 30 CGEDMO C=CCCC[N@H+](C)CN1Cc2c(cccc2Cl)C1=O ZINC000795427358 629674185 /nfs/dbraw/zinc/67/41/85/629674185.db2.gz KBNOBHIYNFOZHX-UHFFFAOYSA-N 1 1 278.783 3.151 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000796334173 629767699 /nfs/dbraw/zinc/76/76/99/629767699.db2.gz NQGHVBCENJQSHU-STQMWFEESA-N 1 1 281.362 3.450 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H](C)[S@@](=O)[C@@H](CC)C1 ZINC000796376214 629773745 /nfs/dbraw/zinc/77/37/45/629773745.db2.gz NWTCGBSZDCDMMH-GRDNDAEWSA-N 1 1 259.459 3.188 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CCC=C(C)C2)cc1 ZINC000798089959 630022050 /nfs/dbraw/zinc/02/20/50/630022050.db2.gz CAGKPUKRYMDFJL-UHFFFAOYSA-N 1 1 255.361 3.241 20 30 CGEDMO CCCCCCCC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000120490782 630062442 /nfs/dbraw/zinc/06/24/42/630062442.db2.gz JWUDPYMJJHYUQJ-GJZGRUSLSA-N 1 1 268.445 3.146 20 30 CGEDMO C=CC[C@@H](CC)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000798937138 630127776 /nfs/dbraw/zinc/12/77/76/630127776.db2.gz OWIXDRLZHBVASY-DGCLKSJQSA-N 1 1 277.364 3.184 20 30 CGEDMO C=C(Br)C[NH2+]Cc1ccc(C(F)F)nc1 ZINC000865449848 630128839 /nfs/dbraw/zinc/12/88/39/630128839.db2.gz HBCCPVHHEFBJCE-UHFFFAOYSA-N 1 1 277.112 3.017 20 30 CGEDMO CSCCC[N@@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000798964758 630130922 /nfs/dbraw/zinc/13/09/22/630130922.db2.gz UMHNJZUYVMYVBX-CYBMUJFWSA-N 1 1 278.421 3.162 20 30 CGEDMO CC(CCC1CCCCC1)=NNCCC[NH+]1CCOCC1 ZINC000799491955 630190051 /nfs/dbraw/zinc/19/00/51/630190051.db2.gz OUAXRGYBAHMYCC-UHFFFAOYSA-N 1 1 295.471 3.035 20 30 CGEDMO C[C@H]1CC(N=Nc2ccc(C#N)cc2C(F)(F)F)C[N@H+]1C ZINC000799491348 630190238 /nfs/dbraw/zinc/19/02/38/630190238.db2.gz BAWTWTDCRAQIHI-VIFPVBQESA-N 1 1 296.296 3.069 20 30 CGEDMO N#CC1(C[NH2+]Cc2cnc(Cl)c(F)c2)CCCCC1 ZINC000865630258 630235021 /nfs/dbraw/zinc/23/50/21/630235021.db2.gz IAPIQMFPPUAIAX-UHFFFAOYSA-N 1 1 281.762 3.438 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000800478279 630284252 /nfs/dbraw/zinc/28/42/52/630284252.db2.gz CDPFOEYOYQZEIV-QGZVFWFLSA-N 1 1 282.472 3.001 20 30 CGEDMO Cc1ccc([C@H]2CCCC[N@@H+]2CCO[C@H](C)C#N)cc1 ZINC000801922644 630366447 /nfs/dbraw/zinc/36/64/47/630366447.db2.gz MUHWBFCVYZENCT-NVXWUHKLSA-N 1 1 272.392 3.451 20 30 CGEDMO CC(C)C[C@@H]1CCCCC[N@H+]1CCO[C@H](C)C#N ZINC000801922813 630366623 /nfs/dbraw/zinc/36/66/23/630366623.db2.gz PLTPSNXHUCTCQZ-CABCVRRESA-N 1 1 252.402 3.206 20 30 CGEDMO C#CC[N@H+](C[C@@H](OC)c1ccccc1)C1CCCC1 ZINC000801927009 630368938 /nfs/dbraw/zinc/36/89/38/630368938.db2.gz FWDPRZVZJMMWHM-QGZVFWFLSA-N 1 1 257.377 3.252 20 30 CGEDMO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@H](C)C(C)(C)C)c1 ZINC000802638102 630400306 /nfs/dbraw/zinc/40/03/06/630400306.db2.gz LFUDFWVCNPCMSY-AWEZNQCLSA-N 1 1 286.419 3.220 20 30 CGEDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)Nc1nc(Cl)c(C#N)s1 ZINC000804372581 630523639 /nfs/dbraw/zinc/52/36/39/630523639.db2.gz OXSAQMJODUGYQN-UWVGGRQHSA-N 1 1 298.843 3.200 20 30 CGEDMO C=CCc1cc(C[N@H+]2CCC[C@@](C)(F)C2)c(O)c(OC)c1 ZINC000840097904 630592078 /nfs/dbraw/zinc/59/20/78/630592078.db2.gz AIFDUQRVMZLRSC-QGZVFWFLSA-N 1 1 293.382 3.453 20 30 CGEDMO C=CCc1cc(C[N@H+]2CC[C@@H](SC)C2)c(O)c(OC)c1 ZINC000840117646 630600028 /nfs/dbraw/zinc/60/00/28/630600028.db2.gz WAHLOXCXJGQQLA-CQSZACIVSA-N 1 1 293.432 3.067 20 30 CGEDMO CCCCCC[N@H+](C)CC(=O)OC[C@H]1CC[C@@H](C#N)CC1 ZINC000809092174 630692560 /nfs/dbraw/zinc/69/25/60/630692560.db2.gz ZEEUAXSSYSJVRU-IYBDPMFKSA-N 1 1 294.439 3.372 20 30 CGEDMO CCCCCC[N@@H+](C)CC(=O)OC[C@H]1CC[C@@H](C#N)CC1 ZINC000809092174 630692562 /nfs/dbraw/zinc/69/25/62/630692562.db2.gz ZEEUAXSSYSJVRU-IYBDPMFKSA-N 1 1 294.439 3.372 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCO[C@](C)(c3ccccc3)C2)cc1 ZINC000809574641 630752337 /nfs/dbraw/zinc/75/23/37/630752337.db2.gz NPEQUBILSJDEKQ-FQEVSTJZSA-N 1 1 291.394 3.416 20 30 CGEDMO C#Cc1ccc(C[NH2+][C@H](C)c2nc(C)cs2)cc1 ZINC000809613589 630761975 /nfs/dbraw/zinc/76/19/75/630761975.db2.gz ZCWKGKJCKIMBSF-GFCCVEGCSA-N 1 1 256.374 3.284 20 30 CGEDMO C#Cc1ccc(C[NH2+]Cc2nc(C)c(C)s2)cc1 ZINC000809621902 630764437 /nfs/dbraw/zinc/76/44/37/630764437.db2.gz AJHRYMQCWPEZAU-UHFFFAOYSA-N 1 1 256.374 3.031 20 30 CGEDMO C#Cc1ccc(C[N@@H+](C)Cc2cnc(C(C)C)nc2)cc1 ZINC000809660285 630777494 /nfs/dbraw/zinc/77/74/94/630777494.db2.gz FDQCXHFUBZGAAV-UHFFFAOYSA-N 1 1 279.387 3.213 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)Cc2cnc(C(C)C)nc2)cc1 ZINC000809660285 630777496 /nfs/dbraw/zinc/77/74/96/630777496.db2.gz FDQCXHFUBZGAAV-UHFFFAOYSA-N 1 1 279.387 3.213 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1cccc(OCC)c1O ZINC000809715739 630790001 /nfs/dbraw/zinc/79/00/01/630790001.db2.gz GGSLDUHMSZVOBP-UHFFFAOYSA-N 1 1 295.382 3.426 20 30 CGEDMO C#CCC(C)(C)C(=O)O[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000810665723 630922939 /nfs/dbraw/zinc/92/29/39/630922939.db2.gz BQDAWEOVZLXAHK-KRWDZBQOSA-N 1 1 299.414 3.244 20 30 CGEDMO N#Cc1csc(C[N@H+](CCc2ccccc2)C2CC2)n1 ZINC000811454411 631066483 /nfs/dbraw/zinc/06/64/83/631066483.db2.gz JHSDODTVIKBABS-UHFFFAOYSA-N 1 1 283.400 3.222 20 30 CGEDMO N#Cc1csc(C[N@@H+](CCc2ccccc2)C2CC2)n1 ZINC000811454411 631066488 /nfs/dbraw/zinc/06/64/88/631066488.db2.gz JHSDODTVIKBABS-UHFFFAOYSA-N 1 1 283.400 3.222 20 30 CGEDMO C[C@H]1C(=NNCCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000811648676 631097126 /nfs/dbraw/zinc/09/71/26/631097126.db2.gz WROSAWBDPDQKBD-LBPRGKRZSA-N 1 1 299.340 3.179 20 30 CGEDMO C[C@H]1C(=NNCCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000811648676 631097130 /nfs/dbraw/zinc/09/71/30/631097130.db2.gz WROSAWBDPDQKBD-LBPRGKRZSA-N 1 1 299.340 3.179 20 30 CGEDMO C[C@H]1C[C@@H](Nc2nc3ccccc3cc2C#N)C[N@H+]1C1CC1 ZINC000811811758 631122688 /nfs/dbraw/zinc/12/26/88/631122688.db2.gz GNQNMZWZYMCWHA-SWLSCSKDSA-N 1 1 292.386 3.144 20 30 CGEDMO CCCCCCCCC(=O)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000812324443 631238540 /nfs/dbraw/zinc/23/85/40/631238540.db2.gz OSQPRIWULQAFLL-JKSUJKDBSA-N 1 1 280.456 3.147 20 30 CGEDMO COc1ccc(F)cc1C[NH2+]Cc1cc(C#N)ccc1F ZINC000812756351 631304671 /nfs/dbraw/zinc/30/46/71/631304671.db2.gz YLOCWXUQGQTQBV-UHFFFAOYSA-N 1 1 288.297 3.135 20 30 CGEDMO CC[N@@H+](CCCCC#N)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812850453 631324624 /nfs/dbraw/zinc/32/46/24/631324624.db2.gz SRUQOBVPLTYSEV-GDBMZVCRSA-N 1 1 260.381 3.124 20 30 CGEDMO C#CCCC[N@H+](C)CCc1cccc(Br)c1 ZINC000812905451 631330803 /nfs/dbraw/zinc/33/08/03/631330803.db2.gz CGJVLQMWZCDIIL-UHFFFAOYSA-N 1 1 280.209 3.337 20 30 CGEDMO CCCCCCCCCC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000814144845 631533537 /nfs/dbraw/zinc/53/35/37/631533537.db2.gz JCIUKBZIYPLPHF-JKSUJKDBSA-N 1 1 280.456 3.290 20 30 CGEDMO CC(C)CO[NH+]=C1CC(C)(C)Oc2ccc(N)cc21 ZINC000814883868 631663933 /nfs/dbraw/zinc/66/39/33/631663933.db2.gz FDZWRPVXBWKAFN-UHFFFAOYSA-N 1 1 262.353 3.207 20 30 CGEDMO CC(=[NH+]N[C@H]1CCCC1(C)C)c1cc([N+](=O)[O-])ccc1N ZINC000814916827 631680090 /nfs/dbraw/zinc/68/00/90/631680090.db2.gz FPSKUJGLFKCDSV-AWEZNQCLSA-N 1 1 290.367 3.069 20 30 CGEDMO C#Cc1cccc(NC(=O)C[N@H+](C)[C@H]2C=CCCCCC2)c1 ZINC000815020590 631704564 /nfs/dbraw/zinc/70/45/64/631704564.db2.gz DPQKZLOGJWIDBA-SFHVURJKSA-N 1 1 296.414 3.427 20 30 CGEDMO C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](CCOCCC#N)C1 ZINC000815054504 631707445 /nfs/dbraw/zinc/70/74/45/631707445.db2.gz LEOAYCUBCKMAON-CZUORRHYSA-N 1 1 276.355 3.139 20 30 CGEDMO CC(C)C[N@H+](CCC#N)C[C@@H](O)c1cc2ccccc2o1 ZINC000815052356 631707635 /nfs/dbraw/zinc/70/76/35/631707635.db2.gz LXMJZMDGLWUQPS-OAHLLOKOSA-N 1 1 286.375 3.338 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)C[C@@H](O)c1cc2ccccc2o1 ZINC000815052356 631707638 /nfs/dbraw/zinc/70/76/38/631707638.db2.gz LXMJZMDGLWUQPS-OAHLLOKOSA-N 1 1 286.375 3.338 20 30 CGEDMO C#CCNC(=O)CC[N@@H+]1CCC[C@@H]1c1ccc(C(C)C)cc1 ZINC000815076657 631710985 /nfs/dbraw/zinc/71/09/85/631710985.db2.gz JVIMGCXJAUSGJT-GOSISDBHSA-N 1 1 298.430 3.086 20 30 CGEDMO C#CC[N@@H+](C)CCCN[C@@H](C)c1cc2ccc(C)cc2o1 ZINC000815651827 631813442 /nfs/dbraw/zinc/81/34/42/631813442.db2.gz FKBWPICVRFGHHZ-HNNXBMFYSA-N 1 1 284.403 3.347 20 30 CGEDMO C#CC[N@H+](C)CCCN[C@@H](C)c1cc2ccc(C)cc2o1 ZINC000815651827 631813445 /nfs/dbraw/zinc/81/34/45/631813445.db2.gz FKBWPICVRFGHHZ-HNNXBMFYSA-N 1 1 284.403 3.347 20 30 CGEDMO C#C[C@H]([NH2+][C@@H](C)c1ccc(OC)cc1Cl)[C@H]1CCCO1 ZINC000818337185 632309684 /nfs/dbraw/zinc/30/96/84/632309684.db2.gz IBXFDLBWQYQRTA-KNXALSJPSA-N 1 1 293.794 3.180 20 30 CGEDMO C=C(Br)C[NH2+]Cc1cc(C)ccc1OC ZINC000105453749 635832303 /nfs/dbraw/zinc/83/23/03/635832303.db2.gz KXOBBXWGWQHCEN-UHFFFAOYSA-N 1 1 270.170 3.002 20 30 CGEDMO N#CCCC[C@@H]([NH3+])c1nc(-c2cnc3ccsc3c2)no1 ZINC000822823006 633025977 /nfs/dbraw/zinc/02/59/77/633025977.db2.gz YOTCOOTWWLNSCB-SNVBAGLBSA-N 1 1 299.359 3.040 20 30 CGEDMO C[C@@H]([NH2+][C@@H](C)c1cccnc1)c1cccc(C#N)c1O ZINC000866214369 633031778 /nfs/dbraw/zinc/03/17/78/633031778.db2.gz CACSLYOSNHORDB-NWDGAFQWSA-N 1 1 267.332 3.071 20 30 CGEDMO CC(C)n1cc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2O)cn1 ZINC000866265501 633051719 /nfs/dbraw/zinc/05/17/19/633051719.db2.gz MKCJQKSZXXZSOO-QWHCGFSZSA-N 1 1 298.390 3.453 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCCC[C@H]1Cc1ccccc1F ZINC000844413134 635893794 /nfs/dbraw/zinc/89/37/94/635893794.db2.gz FQBGSRYTCUYGRN-HOCLYGCPSA-N 1 1 290.382 3.151 20 30 CGEDMO Cc1c2cccc(C)c2oc1C[N@H+](C)CCO[C@H](C)C#N ZINC000844420937 635896392 /nfs/dbraw/zinc/89/63/92/635896392.db2.gz PGKXTLOAEHDJBN-CYBMUJFWSA-N 1 1 286.375 3.410 20 30 CGEDMO C=C(Cl)C[NH2+][C@H](CC)c1cccc(OC)c1OC ZINC000866300052 633070883 /nfs/dbraw/zinc/07/08/83/633070883.db2.gz REJAUIMIUCKPGM-GFCCVEGCSA-N 1 1 269.772 3.497 20 30 CGEDMO C#CC[N@@H+](CC)Cc1cnc(CCc2ccccc2)s1 ZINC000823419299 633102451 /nfs/dbraw/zinc/10/24/51/633102451.db2.gz XSJSKOSEBGYPFY-UHFFFAOYSA-N 1 1 284.428 3.383 20 30 CGEDMO C#CC[N@H+](CC)Cc1cnc(CCc2ccccc2)s1 ZINC000823419299 633102453 /nfs/dbraw/zinc/10/24/53/633102453.db2.gz XSJSKOSEBGYPFY-UHFFFAOYSA-N 1 1 284.428 3.383 20 30 CGEDMO C=CC1(CC(=O)N2CC[NH+](CCCF)CC2)CCCCC1 ZINC000823653186 633132598 /nfs/dbraw/zinc/13/25/98/633132598.db2.gz WNPWCJGDQAZLMK-UHFFFAOYSA-N 1 1 296.430 3.017 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000866581663 633201656 /nfs/dbraw/zinc/20/16/56/633201656.db2.gz AHOYJHVZWQUVKV-WQVCFCJDSA-N 1 1 272.417 3.304 20 30 CGEDMO CC(C)[N@H+](CCC#N)Cc1ccc(Br)cc1O ZINC000824593890 633262337 /nfs/dbraw/zinc/26/23/37/633262337.db2.gz UKVUXHXIQCBJMN-UHFFFAOYSA-N 1 1 297.196 3.279 20 30 CGEDMO CC(C)[N@@H+](CCC#N)Cc1ccc(Br)cc1O ZINC000824593890 633262338 /nfs/dbraw/zinc/26/23/38/633262338.db2.gz UKVUXHXIQCBJMN-UHFFFAOYSA-N 1 1 297.196 3.279 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000825340847 633348165 /nfs/dbraw/zinc/34/81/65/633348165.db2.gz RKOZQNIKEQWKGU-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO Cc1cc(C)c(COC(=O)c2cc(C#N)cs2)c(C)[nH+]1 ZINC000869429763 633442973 /nfs/dbraw/zinc/44/29/73/633442973.db2.gz NXFVEWMXXFQEIY-UHFFFAOYSA-N 1 1 286.356 3.297 20 30 CGEDMO C=CCCCC[N@H+](Cc1ccc(C(=O)NC)cc1)C1CC1 ZINC000827269855 633476965 /nfs/dbraw/zinc/47/69/65/633476965.db2.gz CLWPKVCONXVBBI-UHFFFAOYSA-N 1 1 286.419 3.367 20 30 CGEDMO CCN(CC)c1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000827650187 633507757 /nfs/dbraw/zinc/50/77/57/633507757.db2.gz OOWLNUKTQNXDHI-KRWDZBQOSA-N 1 1 271.408 3.268 20 30 CGEDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000827650187 633507762 /nfs/dbraw/zinc/50/77/62/633507762.db2.gz OOWLNUKTQNXDHI-KRWDZBQOSA-N 1 1 271.408 3.268 20 30 CGEDMO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000827651035 633507990 /nfs/dbraw/zinc/50/79/90/633507990.db2.gz YKTXLWYYSMZRIB-LAQIPUCWSA-N 1 1 269.392 3.001 20 30 CGEDMO CN(C)c1ccc(/C=C/C[N@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000827651035 633507992 /nfs/dbraw/zinc/50/79/92/633507992.db2.gz YKTXLWYYSMZRIB-LAQIPUCWSA-N 1 1 269.392 3.001 20 30 CGEDMO CCCCCCCC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000122788205 633511426 /nfs/dbraw/zinc/51/14/26/633511426.db2.gz QUIVUCXERXVLPR-CABCVRRESA-N 1 1 268.445 3.288 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1cc2cc(F)ccc2o1 ZINC000827823425 633522962 /nfs/dbraw/zinc/52/29/62/633522962.db2.gz OSZPJCCNZPWGIJ-UHFFFAOYSA-N 1 1 275.323 3.044 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1cscc1C(F)(F)F ZINC000827826593 633523024 /nfs/dbraw/zinc/52/30/24/633523024.db2.gz JCHOXRVOOKPWMY-UHFFFAOYSA-N 1 1 291.338 3.239 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[NH2+][C@@H](c2ccccc2C)C1 ZINC000827916777 633534452 /nfs/dbraw/zinc/53/44/52/633534452.db2.gz NECZPPKIXINJKB-NVXWUHKLSA-N 1 1 286.419 3.070 20 30 CGEDMO C[C@@H](C[C@@H]1CCCC[N@H+]1C)OC(=O)CCCCCC#N ZINC000870785296 633646325 /nfs/dbraw/zinc/64/63/25/633646325.db2.gz NQHWXXKECQRJRB-GJZGRUSLSA-N 1 1 280.412 3.267 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000828739542 633646909 /nfs/dbraw/zinc/64/69/09/633646909.db2.gz XFSLRLXOSBEKIJ-UHFFFAOYSA-N 1 1 288.435 3.310 20 30 CGEDMO C=CCCCC[N@H+](C)C[C@]1(O)CCc2ccccc21 ZINC000829385035 633729783 /nfs/dbraw/zinc/72/97/83/633729783.db2.gz KNVWVCUCMJXKOC-QGZVFWFLSA-N 1 1 259.393 3.109 20 30 CGEDMO C=CCCCC[N@H+](C)C[C@@]1(O)CCc2ccccc21 ZINC000829385033 633730312 /nfs/dbraw/zinc/73/03/12/633730312.db2.gz KNVWVCUCMJXKOC-KRWDZBQOSA-N 1 1 259.393 3.109 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000829773088 633781217 /nfs/dbraw/zinc/78/12/17/633781217.db2.gz ALYCGDVYJQNJAP-QWHCGFSZSA-N 1 1 275.396 3.163 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+]([C@@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000829773088 633781229 /nfs/dbraw/zinc/78/12/29/633781229.db2.gz ALYCGDVYJQNJAP-QWHCGFSZSA-N 1 1 275.396 3.163 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2nc3cc(F)ccc3n2CC)C1 ZINC000829805427 633789015 /nfs/dbraw/zinc/78/90/15/633789015.db2.gz SZHBCEVRXNTEBR-CQSZACIVSA-N 1 1 299.393 3.431 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000829806059 633790907 /nfs/dbraw/zinc/79/09/07/633790907.db2.gz ZKMIMZJMAQYCNG-GFCCVEGCSA-N 1 1 292.766 3.484 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2nccn2-c2ccccc2)C1 ZINC000829811163 633794078 /nfs/dbraw/zinc/79/40/78/633794078.db2.gz YTWJCKCZNDPHCW-MRXNPFEDSA-N 1 1 279.387 3.108 20 30 CGEDMO C#CC1CC[NH+](CC(=O)c2c(C)[nH]c3ccccc32)CC1 ZINC000830330115 633851019 /nfs/dbraw/zinc/85/10/19/633851019.db2.gz QKDUXESTJNUQPN-UHFFFAOYSA-N 1 1 280.371 3.004 20 30 CGEDMO CCCCCCCC[N@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000830817987 633890740 /nfs/dbraw/zinc/89/07/40/633890740.db2.gz JZPAMVOUEZNJGO-BBWFWOEESA-N 1 1 283.456 3.209 20 30 CGEDMO CC(C)c1cc([C@@H]2CCC[N@H+]([C@@H]3CC[C@@H](C#N)C3)C2)[nH]n1 ZINC000872094426 634019318 /nfs/dbraw/zinc/01/93/18/634019318.db2.gz GMUHUNQLSNLPST-RBSFLKMASA-N 1 1 286.423 3.405 20 30 CGEDMO CC(C)c1cc([C@@H]2CCC[N@@H+]([C@@H]3CC[C@@H](C#N)C3)C2)n[nH]1 ZINC000872094426 634019320 /nfs/dbraw/zinc/01/93/20/634019320.db2.gz GMUHUNQLSNLPST-RBSFLKMASA-N 1 1 286.423 3.405 20 30 CGEDMO CC(C)c1cc([C@@H]2CCC[N@H+]([C@@H]3CC[C@@H](C#N)C3)C2)n[nH]1 ZINC000872094426 634019323 /nfs/dbraw/zinc/01/93/23/634019323.db2.gz GMUHUNQLSNLPST-RBSFLKMASA-N 1 1 286.423 3.405 20 30 CGEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2ccccc2COC)no1 ZINC000872176990 634078513 /nfs/dbraw/zinc/07/85/13/634078513.db2.gz XRDAFAFENCUXKH-LBPRGKRZSA-N 1 1 293.754 3.025 20 30 CGEDMO CC(C)[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C1CC(C)(C)C1 ZINC000832764862 634093754 /nfs/dbraw/zinc/09/37/54/634093754.db2.gz QGYZRMLAJJLTDV-KRWDZBQOSA-N 1 1 286.419 3.491 20 30 CGEDMO CSc1nnc(SC)n1[NH+]=C[C@H]1CCCC[C@@H]1C ZINC000872417563 634141035 /nfs/dbraw/zinc/14/10/35/634141035.db2.gz FFZUKOLRRIBOLC-VHSXEESVSA-N 1 1 284.454 3.382 20 30 CGEDMO CC[N@H+](C/C=C/c1ccc(N(C)C)cc1)C[C@H](C)C#N ZINC000835025970 634325560 /nfs/dbraw/zinc/32/55/60/634325560.db2.gz PFNPEUOQUBRHMU-LQYUOIDQSA-N 1 1 271.408 3.247 20 30 CGEDMO CC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)C[C@H](C)C#N ZINC000835025970 634325562 /nfs/dbraw/zinc/32/55/62/634325562.db2.gz PFNPEUOQUBRHMU-LQYUOIDQSA-N 1 1 271.408 3.247 20 30 CGEDMO CC[C@H](CC#N)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835046661 634333221 /nfs/dbraw/zinc/33/32/21/634333221.db2.gz LVWGNZATQZFLEA-IYKSTZQJSA-N 1 1 257.381 3.048 20 30 CGEDMO CCCCCCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000836938275 634832776 /nfs/dbraw/zinc/83/27/76/634832776.db2.gz JLNDCZNWNZISEV-GOOCMWNKSA-N 1 1 266.429 3.088 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cnc1Cl)CC1CCCC1 ZINC000876652564 634875738 /nfs/dbraw/zinc/87/57/38/634875738.db2.gz KMXUCMDLFBAFJN-UHFFFAOYSA-N 1 1 263.772 3.229 20 30 CGEDMO C[C@H]1CCCCC[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000876733208 634888353 /nfs/dbraw/zinc/88/83/53/634888353.db2.gz RRQASZXYOAJVNY-NSHDSACASA-N 1 1 263.772 3.371 20 30 CGEDMO C#CCCCCCC[N@H+](C(C)C)C1CCOCC1 ZINC000876757636 634894268 /nfs/dbraw/zinc/89/42/68/634894268.db2.gz HAVFPQSTRLAYLU-UHFFFAOYSA-N 1 1 251.414 3.460 20 30 CGEDMO C[C@@H]([N@H+](C)Cc1cc(C#N)cnc1Cl)C1(C)CC1 ZINC000876805700 634902126 /nfs/dbraw/zinc/90/21/26/634902126.db2.gz FKLPUSLGCSPPTL-SNVBAGLBSA-N 1 1 263.772 3.227 20 30 CGEDMO C[C@@H]([N@@H+](C)Cc1cc(C#N)cnc1Cl)C1(C)CC1 ZINC000876805700 634902129 /nfs/dbraw/zinc/90/21/29/634902129.db2.gz FKLPUSLGCSPPTL-SNVBAGLBSA-N 1 1 263.772 3.227 20 30 CGEDMO C=C(C)C[N@H+](C)CCCP(=O)(OCC)OCC ZINC000877164598 635001144 /nfs/dbraw/zinc/00/11/44/635001144.db2.gz BIUJSFBTKBRVMD-UHFFFAOYSA-N 1 1 263.318 3.151 20 30 CGEDMO Cc1ccc2c(c1)C(=O)/C(=C\c1c[nH+]c(N(C)C)n1C)CC2 ZINC000840716257 635041189 /nfs/dbraw/zinc/04/11/89/635041189.db2.gz KIIKBLWXCQNFMD-UVTDQMKNSA-N 1 1 295.386 3.007 20 30 CGEDMO CCn1ccc(C[N@@H+](C)Cc2cc(C#N)ccc2N(C)C)c1 ZINC000877471842 635050211 /nfs/dbraw/zinc/05/02/11/635050211.db2.gz BYLPWUBTIYCOJS-UHFFFAOYSA-N 1 1 296.418 3.078 20 30 CGEDMO C#CCCCCCC[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000877494235 635059125 /nfs/dbraw/zinc/05/91/25/635059125.db2.gz MUZXDTGWAPALDB-FGTMMUONSA-N 1 1 293.451 3.229 20 30 CGEDMO C#CCCCCCC[NH2+]C1CC(N2CCCCC2)C1 ZINC000877492564 635059609 /nfs/dbraw/zinc/05/96/09/635059609.db2.gz ZZUMNHHRLPRJKP-UHFFFAOYSA-N 1 1 262.441 3.177 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1c(Cl)cncc1Cl)C(C)C ZINC000877513195 635065553 /nfs/dbraw/zinc/06/55/53/635065553.db2.gz NUEQEQPXRQSHSV-GFCCVEGCSA-N 1 1 257.164 3.136 20 30 CGEDMO CC[C@@H](CSC)[N@H+](C)Cc1cc(C#N)cnc1Cl ZINC000877531532 635074690 /nfs/dbraw/zinc/07/46/90/635074690.db2.gz ORSLJRCLOLFDKC-LBPRGKRZSA-N 1 1 283.828 3.180 20 30 CGEDMO CC[C@@H](CSC)[N@@H+](C)Cc1cc(C#N)cnc1Cl ZINC000877531532 635074695 /nfs/dbraw/zinc/07/46/95/635074695.db2.gz ORSLJRCLOLFDKC-LBPRGKRZSA-N 1 1 283.828 3.180 20 30 CGEDMO Cc1cc(N(C)C)ccc1C[N@H+](CCC#N)C(C)C ZINC000840910526 635079916 /nfs/dbraw/zinc/07/99/16/635079916.db2.gz INTALHOKICJVPS-UHFFFAOYSA-N 1 1 259.397 3.185 20 30 CGEDMO C#CCCCCCC[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000877543422 635082131 /nfs/dbraw/zinc/08/21/31/635082131.db2.gz AMVPSWYGEDXLAT-LJQANCHMSA-N 1 1 285.431 3.206 20 30 CGEDMO N#Cc1cnc(Cl)c(C[NH+]2CCC(C3CC3)CC2)c1 ZINC000877544903 635082995 /nfs/dbraw/zinc/08/29/95/635082995.db2.gz ARPPYOGEBVJURP-UHFFFAOYSA-N 1 1 275.783 3.229 20 30 CGEDMO CN(C)c1ccc(F)cc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000877622304 635118064 /nfs/dbraw/zinc/11/80/64/635118064.db2.gz KNCGVANVGDOWFW-CYBMUJFWSA-N 1 1 275.371 3.017 20 30 CGEDMO C[N@@H+](CCc1ccccc1)CCc1cccc(C#N)c1 ZINC000877704777 635157042 /nfs/dbraw/zinc/15/70/42/635157042.db2.gz VOXDXENYEKTMBG-UHFFFAOYSA-N 1 1 264.372 3.275 20 30 CGEDMO CC[C@@H]1C[C@@H](C[N@@H+](C)CCc2cccc(C#N)c2)CCO1 ZINC000877704972 635157212 /nfs/dbraw/zinc/15/72/12/635157212.db2.gz YUFYCNFINPPZQD-ZWKOTPCHSA-N 1 1 286.419 3.238 20 30 CGEDMO CC([NH2+]Nc1nc(-c2ccccc2)no1)=C1CC1(F)F ZINC000841625727 635200704 /nfs/dbraw/zinc/20/07/04/635200704.db2.gz YQPIKWSLTNFESY-SNVBAGLBSA-N 1 1 278.262 3.180 20 30 CGEDMO COc1cc(C[N@H+]2CC[C@@](C)(C(F)(F)F)C2)ccc1C#N ZINC000877812261 635216864 /nfs/dbraw/zinc/21/68/64/635216864.db2.gz KSILXEMBMIHGBO-CQSZACIVSA-N 1 1 298.308 3.341 20 30 CGEDMO COc1cc(C[N@H+]2CC[C@](C)(C(F)(F)F)C2)ccc1C#N ZINC000877812260 635217568 /nfs/dbraw/zinc/21/75/68/635217568.db2.gz KSILXEMBMIHGBO-AWEZNQCLSA-N 1 1 298.308 3.341 20 30 CGEDMO CC(C)(O)[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000877836708 635237313 /nfs/dbraw/zinc/23/73/13/635237313.db2.gz HLMHCFJKIAUWHU-INIZCTEOSA-N 1 1 286.419 3.081 20 30 CGEDMO CC1(C)Cc2cc(C[NH2+]CC3(C#N)CCC3)ccc2O1 ZINC000841900037 635249937 /nfs/dbraw/zinc/24/99/37/635249937.db2.gz ZBWQSTXRLULJEC-UHFFFAOYSA-N 1 1 270.376 3.184 20 30 CGEDMO C=CC[C@H](C)[N@@H+](CCC)CC(=O)Nc1ccccc1OC ZINC000877906196 635262409 /nfs/dbraw/zinc/26/24/09/635262409.db2.gz ZXVVLYRMGLMYMO-AWEZNQCLSA-N 1 1 290.407 3.310 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@H+](C)CC(C)C)c1ccccc1 ZINC000878000697 635313656 /nfs/dbraw/zinc/31/36/56/635313656.db2.gz GKDIUQPTZZXKTF-QGZVFWFLSA-N 1 1 272.392 3.015 20 30 CGEDMO CC(C)[C@@H](O)CC[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000878005675 635316353 /nfs/dbraw/zinc/31/63/53/635316353.db2.gz SZMKGRFKUKDUFO-KRWDZBQOSA-N 1 1 274.408 3.176 20 30 CGEDMO C#CCCCCC[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000878118997 635364361 /nfs/dbraw/zinc/36/43/61/635364361.db2.gz XEGIROKWBRAGCS-MRXNPFEDSA-N 1 1 296.418 3.102 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878120806 635366103 /nfs/dbraw/zinc/36/61/03/635366103.db2.gz BTNPHMSXMXYNJV-QLFBSQMISA-N 1 1 264.413 3.206 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878120806 635366106 /nfs/dbraw/zinc/36/61/06/635366106.db2.gz BTNPHMSXMXYNJV-QLFBSQMISA-N 1 1 264.413 3.206 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000878136517 635375381 /nfs/dbraw/zinc/37/53/81/635375381.db2.gz AXDLXJDCDJMGLP-NVXWUHKLSA-N 1 1 259.393 3.490 20 30 CGEDMO C=CC[C@@H](C)[N@@H+]1CCO[C@H](c2cccc(OC)c2)C1 ZINC000878196893 635407918 /nfs/dbraw/zinc/40/79/18/635407918.db2.gz BWUKEEFHDAIPDU-CJNGLKHVSA-N 1 1 261.365 3.033 20 30 CGEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCCC12CCC2)c1ccccc1 ZINC000878518333 635540313 /nfs/dbraw/zinc/54/03/13/635540313.db2.gz KXAPNQFCTGRPEY-IBGZPJMESA-N 1 1 296.414 3.446 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878525320 635542680 /nfs/dbraw/zinc/54/26/80/635542680.db2.gz ZJHAJBADJMJJBP-MOPGFXCFSA-N 1 1 296.414 3.468 20 30 CGEDMO C#CCCCCC[N@@H+]1CCCC[C@H]1c1ccnn1C ZINC000878549551 635553291 /nfs/dbraw/zinc/55/32/91/635553291.db2.gz HPSAXXGJVWCHMV-INIZCTEOSA-N 1 1 259.397 3.141 20 30 CGEDMO C=CC[C@H](C)[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000878560018 635556289 /nfs/dbraw/zinc/55/62/89/635556289.db2.gz CNJGOPINOJZAOQ-LSDHHAIUSA-N 1 1 274.408 3.102 20 30 CGEDMO C=C(C)C[N@H+](CC[C@@H](O)C(C)C)Cc1cnn(C(C)C)c1 ZINC000878607967 635568141 /nfs/dbraw/zinc/56/81/41/635568141.db2.gz BBFTWAMMAWGOBB-QGZVFWFLSA-N 1 1 293.455 3.249 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000878676848 635602000 /nfs/dbraw/zinc/60/20/00/635602000.db2.gz AVVAUMBWGMOTNC-AWEZNQCLSA-N 1 1 274.412 3.303 20 30 CGEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCC12CCCC2)c1ccccc1 ZINC000878802184 635632180 /nfs/dbraw/zinc/63/21/80/635632180.db2.gz XILFEMUIYDDFHV-IBGZPJMESA-N 1 1 296.414 3.446 20 30 CGEDMO C[C@H](CC#N)[NH2+]Cc1cc(Cl)nc2ccccc12 ZINC000878820357 635637467 /nfs/dbraw/zinc/63/74/67/635637467.db2.gz LURJYTOFZOJWRU-SNVBAGLBSA-N 1 1 259.740 3.280 20 30 CGEDMO C=CC[N@@H+](C[C@@H]1CCC2(CCOCC2)CO1)C(C)(C)C ZINC000878949794 635663052 /nfs/dbraw/zinc/66/30/52/635663052.db2.gz KJFMTMWRCSAXTF-HNNXBMFYSA-N 1 1 281.440 3.249 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000843424231 635668785 /nfs/dbraw/zinc/66/87/85/635668785.db2.gz WKDWEMMZYRJWRP-OAHLLOKOSA-N 1 1 264.372 3.470 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cc(CC=C)c(O)c(OC)c2)C1 ZINC000843424607 635669776 /nfs/dbraw/zinc/66/97/76/635669776.db2.gz WWUYERAKLZNOJB-HNNXBMFYSA-N 1 1 299.414 3.365 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC000879008615 635680107 /nfs/dbraw/zinc/68/01/07/635680107.db2.gz VAKAKZAUOHQUGD-VXGBXAGGSA-N 1 1 294.420 3.074 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000879112626 635705995 /nfs/dbraw/zinc/70/59/95/635705995.db2.gz QEEUNAKDUYUEBK-LBPRGKRZSA-N 1 1 278.154 3.245 20 30 CGEDMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000127542677 635715310 /nfs/dbraw/zinc/71/53/10/635715310.db2.gz LGTGHAGKBPAJMJ-QGTPRVQTSA-N 1 1 286.419 3.492 20 30 CGEDMO C#CCCCCCN1CCC(C)([NH+]2CCCC2)CC1 ZINC000879203440 635724677 /nfs/dbraw/zinc/72/46/77/635724677.db2.gz NSEPYNZDBCKBGJ-UHFFFAOYSA-N 1 1 262.441 3.130 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)CC1CC(F)(F)C1 ZINC000879432299 635785057 /nfs/dbraw/zinc/78/50/57/635785057.db2.gz HNFKYTPVYXAITF-UHFFFAOYSA-N 1 1 264.319 3.078 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC000879755364 635855883 /nfs/dbraw/zinc/85/58/83/635855883.db2.gz SFEINGHIJTUXNR-KBPBESRZSA-N 1 1 280.412 3.036 20 30 CGEDMO Cc1cccc(C)c1C[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000844362168 635881182 /nfs/dbraw/zinc/88/11/82/635881182.db2.gz SWASKYZHUUDXJT-IBGZPJMESA-N 1 1 294.398 3.341 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000844373512 635883705 /nfs/dbraw/zinc/88/37/05/635883705.db2.gz JCXJANQJJBKPKS-CZUORRHYSA-N 1 1 292.810 3.316 20 30 CGEDMO N#CCC1(C[N@H+]2CC[C@@]3(CCc4ccccc43)C2)CC1 ZINC000879995883 635892693 /nfs/dbraw/zinc/89/26/93/635892693.db2.gz HBTHXDNVZFRDDO-SFHVURJKSA-N 1 1 266.388 3.270 20 30 CGEDMO N#Cc1ccc(Br)c(C[NH+]2CCC(F)CC2)c1 ZINC000880240034 635949480 /nfs/dbraw/zinc/94/94/80/635949480.db2.gz XHADKAUBNFGYIM-UHFFFAOYSA-N 1 1 297.171 3.255 20 30 CGEDMO C[C@H](c1ccccc1)N1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000880251054 635956746 /nfs/dbraw/zinc/95/67/46/635956746.db2.gz POTUESWXFNEDEM-JFIYKMOQSA-N 1 1 283.419 3.057 20 30 CGEDMO CO[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000880307774 635971062 /nfs/dbraw/zinc/97/10/62/635971062.db2.gz UYTTZCPUPFRGPS-AWEZNQCLSA-N 1 1 298.308 3.020 20 30 CGEDMO C=CCOCC[N@H+]1CCCSC[C@H]1c1ccccc1 ZINC000880388499 635991299 /nfs/dbraw/zinc/99/12/99/635991299.db2.gz KSXFRVWTRQMDAD-INIZCTEOSA-N 1 1 277.433 3.369 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCCSC[C@@H]1c1ccccc1 ZINC000880388673 635991306 /nfs/dbraw/zinc/99/13/06/635991306.db2.gz TXSUVHIVDMVIMN-GDBMZVCRSA-N 1 1 290.432 3.095 20 30 CGEDMO Cn1cc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC(C)(C)C#N)cn1 ZINC000880518391 636013370 /nfs/dbraw/zinc/01/33/70/636013370.db2.gz GXPNAIZYAXUUGQ-VHRNVKJDSA-N 1 1 286.423 3.070 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCCC[C@@H](C3CCOCC3)C2)C1 ZINC000880577776 636025590 /nfs/dbraw/zinc/02/55/90/636025590.db2.gz KSQCLTGOCXQPDC-OIISXLGYSA-N 1 1 276.424 3.207 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000880695725 636037069 /nfs/dbraw/zinc/03/70/69/636037069.db2.gz OFQHNATZUCIOAP-CQSZACIVSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000880829685 636052453 /nfs/dbraw/zinc/05/24/53/636052453.db2.gz NSYGCNMSSDDJFG-HNNXBMFYSA-N 1 1 278.440 3.112 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2C[C@@H](CC)OC[C@@H]2C)cc1 ZINC000846042911 636137147 /nfs/dbraw/zinc/13/71/47/636137147.db2.gz HNYCPNYYHVOOKX-DOTOQJQBSA-N 1 1 287.403 3.088 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2C[C@@H](CC)OC[C@@H]2C)cc1 ZINC000846042911 636137149 /nfs/dbraw/zinc/13/71/49/636137149.db2.gz HNYCPNYYHVOOKX-DOTOQJQBSA-N 1 1 287.403 3.088 20 30 CGEDMO Cc1cc(C#N)ccc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000846754350 636228817 /nfs/dbraw/zinc/22/88/17/636228817.db2.gz KIWOBNLUPGBFOA-LPHOPBHVSA-N 1 1 295.430 3.320 20 30 CGEDMO Cc1cc(C#N)ccc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000846754349 636228870 /nfs/dbraw/zinc/22/88/70/636228870.db2.gz KIWOBNLUPGBFOA-APWZRJJASA-N 1 1 295.430 3.320 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2)C1 ZINC000847024465 636315570 /nfs/dbraw/zinc/31/55/70/636315570.db2.gz QUODQXAMBOAFBK-CHWSQXEVSA-N 1 1 290.794 3.012 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2)C1 ZINC000847024465 636315576 /nfs/dbraw/zinc/31/55/76/636315576.db2.gz QUODQXAMBOAFBK-CHWSQXEVSA-N 1 1 290.794 3.012 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2coc(-c3ccc(C)cc3)n2)C1 ZINC000847032631 636318677 /nfs/dbraw/zinc/31/86/77/636318677.db2.gz YCDMYXJVNHCAQS-HNNXBMFYSA-N 1 1 280.371 3.495 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2coc(-c3ccc(C)cc3)n2)C1 ZINC000847032631 636318681 /nfs/dbraw/zinc/31/86/81/636318681.db2.gz YCDMYXJVNHCAQS-HNNXBMFYSA-N 1 1 280.371 3.495 20 30 CGEDMO C#CCCOc1ccc(CNc2cc(C)cc[nH+]2)cc1 ZINC000131097963 636556106 /nfs/dbraw/zinc/55/61/06/636556106.db2.gz NLTDYYFAOPAXGH-UHFFFAOYSA-N 1 1 266.344 3.404 20 30 CGEDMO Fc1cccc(N=NC2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000848402809 636567274 /nfs/dbraw/zinc/56/72/74/636567274.db2.gz IAESXRLLCZRMDM-OAHLLOKOSA-N 1 1 261.344 3.242 20 30 CGEDMO C=CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000883223502 636596008 /nfs/dbraw/zinc/59/60/08/636596008.db2.gz QHJMWJCRJPKHCQ-SJORKVTESA-N 1 1 295.430 3.434 20 30 CGEDMO Cc1ccc(C)c(Cc2noc([C@@H]([NH3+])CCCCC#N)n2)c1 ZINC000848622612 636622066 /nfs/dbraw/zinc/62/20/66/636622066.db2.gz ZAJARBAHVGPHNA-HNNXBMFYSA-N 1 1 298.390 3.361 20 30 CGEDMO C=C(CC)COC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000848776834 636656531 /nfs/dbraw/zinc/65/65/31/636656531.db2.gz LCIMNSUMPUHXNC-INIZCTEOSA-N 1 1 273.376 3.018 20 30 CGEDMO CCc1cccc(C[N@H+]2CCC[C@@](C)(C#N)C2)c1O ZINC000848902520 636682905 /nfs/dbraw/zinc/68/29/05/636682905.db2.gz PBZZIXFCXNBPOT-INIZCTEOSA-N 1 1 258.365 3.080 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cnc(C)n2-c2ccccc2)C1 ZINC000848924716 636697742 /nfs/dbraw/zinc/69/77/42/636697742.db2.gz YNAOIUMJQOWQQH-MRXNPFEDSA-N 1 1 279.387 3.026 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)CC1 ZINC000930178753 636889244 /nfs/dbraw/zinc/88/92/44/636889244.db2.gz HVUFXNKCWGQBLG-OPQOLIRYSA-N 1 1 290.451 3.455 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000134242392 637009886 /nfs/dbraw/zinc/00/98/86/637009886.db2.gz LHPBUFYCBDRRQF-SMDDNHRTSA-N 1 1 251.757 3.063 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000134242392 637009892 /nfs/dbraw/zinc/00/98/92/637009892.db2.gz LHPBUFYCBDRRQF-SMDDNHRTSA-N 1 1 251.757 3.063 20 30 CGEDMO C[N@@H+](C[C@H](O)CC1(C#N)CCC1)[C@H]1CCCc2ccccc21 ZINC000885930692 637317570 /nfs/dbraw/zinc/31/75/70/637317570.db2.gz DVMRLCKRUDJDRS-AEFFLSMTSA-N 1 1 298.430 3.441 20 30 CGEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@@H]2Cc2ccccc2)CCC1 ZINC000885935938 637319864 /nfs/dbraw/zinc/31/98/64/637319864.db2.gz WQBRSWQDBPJGFY-MSOLQXFVSA-N 1 1 298.430 3.138 20 30 CGEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1C[C@@]12CCOC2 ZINC000885969139 637337925 /nfs/dbraw/zinc/33/79/25/637337925.db2.gz LFSVVTZPROMGLC-ZWKOTPCHSA-N 1 1 284.403 3.195 20 30 CGEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886027856 637373722 /nfs/dbraw/zinc/37/37/22/637373722.db2.gz JOVIIUKDRWKQKO-QLFBSQMISA-N 1 1 296.480 3.037 20 30 CGEDMO CC(C)(C)C[C@@H]1CC[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886238727 637467411 /nfs/dbraw/zinc/46/74/11/637467411.db2.gz GVOXOXSLUJIOHD-LSDHHAIUSA-N 1 1 278.440 3.189 20 30 CGEDMO Cc1cc([C@H]2CCC[N@H+]2CCc2ccc(C#N)cc2)no1 ZINC000851716028 637472005 /nfs/dbraw/zinc/47/20/05/637472005.db2.gz HKEYXSNJDFAAOL-QGZVFWFLSA-N 1 1 281.359 3.234 20 30 CGEDMO N#C[C@]1(c2ccccn2)CCC[N@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000886273993 637477327 /nfs/dbraw/zinc/47/73/27/637477327.db2.gz KITYBIUGCIVSKT-ZIFCJYIRSA-N 1 1 295.430 3.375 20 30 CGEDMO N#C[C@]1(c2ccccn2)CCC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000886273993 637477329 /nfs/dbraw/zinc/47/73/29/637477329.db2.gz KITYBIUGCIVSKT-ZIFCJYIRSA-N 1 1 295.430 3.375 20 30 CGEDMO CCC[N@@H+](CCOC(F)F)Cc1ccc(C#N)cc1 ZINC000851730394 637479395 /nfs/dbraw/zinc/47/93/95/637479395.db2.gz XQTASSMOMBQZJI-UHFFFAOYSA-N 1 1 268.307 3.009 20 30 CGEDMO C#CCOCC[N@H+](CCC)[C@H](C)c1ccccc1OC ZINC000851740458 637487942 /nfs/dbraw/zinc/48/79/42/637487942.db2.gz XUSKMELMQMYNFV-OAHLLOKOSA-N 1 1 275.392 3.118 20 30 CGEDMO C#CC[C@H]1CC[N@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000886355456 637510853 /nfs/dbraw/zinc/51/08/53/637510853.db2.gz IXODVNHGXBNEGP-SWLSCSKDSA-N 1 1 297.320 3.084 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2csc(CCCC)n2)C1 ZINC000886354966 637511219 /nfs/dbraw/zinc/51/12/19/637511219.db2.gz ACKHYYPSTJTMTA-ZDUSSCGKSA-N 1 1 262.422 3.331 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000886355454 637511649 /nfs/dbraw/zinc/51/16/49/637511649.db2.gz IXODVNHGXBNEGP-DOMZBBRYSA-N 1 1 297.320 3.084 20 30 CGEDMO C#CC[C@H]1CC[N@@H+]([C@H](C)c2noc(-c3ccccc3)n2)C1 ZINC000886364192 637514456 /nfs/dbraw/zinc/51/44/56/637514456.db2.gz RLPDBHZQZYLWKJ-KGLIPLIRSA-N 1 1 281.359 3.143 20 30 CGEDMO C#CC[C@H]1CC[N@H+]([C@H](C)c2noc(-c3ccccc3)n2)C1 ZINC000886364192 637514462 /nfs/dbraw/zinc/51/44/62/637514462.db2.gz RLPDBHZQZYLWKJ-KGLIPLIRSA-N 1 1 281.359 3.143 20 30 CGEDMO Cc1ccc(C[N@H+](C)[C@H](CO)c2ccccc2C)cc1C#N ZINC000886444555 637533015 /nfs/dbraw/zinc/53/30/15/637533015.db2.gz BNQHRRJAPWSVNY-LJQANCHMSA-N 1 1 294.398 3.341 20 30 CGEDMO C#C[C@](C)(CC)[NH2+][C@@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000852098483 637592618 /nfs/dbraw/zinc/59/26/18/637592618.db2.gz OISOJINCMRRCEK-SUMWQHHRSA-N 1 1 283.375 3.498 20 30 CGEDMO N#CCSCCC[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886614522 637607426 /nfs/dbraw/zinc/60/74/26/637607426.db2.gz ZPJHHWYDJKDLEY-RYUDHWBXSA-N 1 1 292.370 3.298 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000852319383 637632475 /nfs/dbraw/zinc/63/24/75/637632475.db2.gz LORUZYFCMCNYQI-ABAIWWIYSA-N 1 1 296.773 3.138 20 30 CGEDMO CC(C)(C)CC[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852329239 637635862 /nfs/dbraw/zinc/63/58/62/637635862.db2.gz WRNVNPNGTXAKBW-KRWDZBQOSA-N 1 1 271.408 3.375 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(N(C)C)c(C)c1)[C@@H](C)COC ZINC000852356601 637641972 /nfs/dbraw/zinc/64/19/72/637641972.db2.gz JCBFBSOHZDMWNR-HNNXBMFYSA-N 1 1 276.424 3.084 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886818134 637705326 /nfs/dbraw/zinc/70/53/26/637705326.db2.gz ATJDMMRUOMPDHW-CABCVRRESA-N 1 1 264.413 3.207 20 30 CGEDMO C#Cc1cccnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000853331976 637813428 /nfs/dbraw/zinc/81/34/28/637813428.db2.gz BMFKTPZDMXVZFL-DLBZAZTESA-N 1 1 297.446 3.154 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@@H]1COc1cccc(OCC#N)c1 ZINC000853720515 637901280 /nfs/dbraw/zinc/90/12/80/637901280.db2.gz ANFRCGYRDHKMPV-OAHLLOKOSA-N 1 1 288.391 3.231 20 30 CGEDMO C[C@@H]1C[C@@H]1C(N)=[NH+]OCc1ccc(C#N)cc1C(F)(F)F ZINC000853730308 637903420 /nfs/dbraw/zinc/90/34/20/637903420.db2.gz DZDAVQGIPOSYKV-KCJUWKMLSA-N 1 1 297.280 3.232 20 30 CGEDMO CCCCCC[N@@H+](C)CC(=O)NCC1(C#N)CCCCC1 ZINC000855957690 638283258 /nfs/dbraw/zinc/28/32/58/638283258.db2.gz XZPTUIMCEDTPEB-UHFFFAOYSA-N 1 1 293.455 3.089 20 30 CGEDMO CC[C@H]([NH2+]Cc1cccc(C)n1)c1cccc(C#N)c1O ZINC000924721463 638394248 /nfs/dbraw/zinc/39/42/48/638394248.db2.gz CDTKZIFTCQSDSJ-INIZCTEOSA-N 1 1 281.359 3.208 20 30 CGEDMO C=CCN(CC=C)C(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000857144995 638461394 /nfs/dbraw/zinc/46/13/94/638461394.db2.gz ZASDZSMJDNHMMM-GOSISDBHSA-N 1 1 298.430 3.310 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCOc2ccc(N)cc2C1 ZINC000925751863 638595815 /nfs/dbraw/zinc/59/58/15/638595815.db2.gz DVBHRHDBEMUXNJ-CYBMUJFWSA-N 1 1 293.370 3.096 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858046789 638622161 /nfs/dbraw/zinc/62/21/61/638622161.db2.gz DYWUJWBCJAGWEC-PBHICJAKSA-N 1 1 284.403 3.214 20 30 CGEDMO N#Cc1csc(C[NH2+][C@H]2CCc3ccc(Cl)cc32)n1 ZINC000858320784 638680728 /nfs/dbraw/zinc/68/07/28/638680728.db2.gz IVRRKOJQWCDUPN-ZDUSSCGKSA-N 1 1 289.791 3.445 20 30 CGEDMO CCC[N@H+](CC)C[C@H](C)N[C@H](C)CC(C)(C)C#N ZINC000926456699 638773276 /nfs/dbraw/zinc/77/32/76/638773276.db2.gz NXJUQIOHABKQDN-KGLIPLIRSA-N 1 1 253.434 3.025 20 30 CGEDMO CCC[N@@H+](CC)C[C@H](C)N[C@H](C)CC(C)(C)C#N ZINC000926456699 638773277 /nfs/dbraw/zinc/77/32/77/638773277.db2.gz NXJUQIOHABKQDN-KGLIPLIRSA-N 1 1 253.434 3.025 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CCCC1)c1ccnn1CC1CCC1 ZINC000926874324 638819945 /nfs/dbraw/zinc/81/99/45/638819945.db2.gz OVESMBXETNLTIO-AWEZNQCLSA-N 1 1 286.423 3.418 20 30 CGEDMO N#Cc1cncc(C[N@@H+](C2CC2)C2CCCCC2)c1 ZINC000929270178 638913565 /nfs/dbraw/zinc/91/35/65/638913565.db2.gz FUULLFVTVNPUGK-UHFFFAOYSA-N 1 1 255.365 3.250 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@H+](C)[C@H](C)c2ccco2)cc1 ZINC000929370342 638922029 /nfs/dbraw/zinc/92/20/29/638922029.db2.gz PPHXMSFIEFNJET-CQSZACIVSA-N 1 1 296.370 3.283 20 30 CGEDMO COc1c(C)cc(C[N@@H+](C)Cc2cncc(C#N)c2)cc1C ZINC000929474752 638927158 /nfs/dbraw/zinc/92/71/58/638927158.db2.gz XNTTXUJBLXTTSJ-UHFFFAOYSA-N 1 1 295.386 3.211 20 30 CGEDMO C[C@@H](C[N@@H+](C)Cc1cncc(C#N)c1)c1ccccc1 ZINC000929490774 638928347 /nfs/dbraw/zinc/92/83/47/638928347.db2.gz PZXDCMJSWSLTMK-AWEZNQCLSA-N 1 1 265.360 3.189 20 30 CGEDMO C[C@H]1c2ccccc2CC[N@H+]1Cc1cncc(C#N)c1 ZINC000929596532 638933199 /nfs/dbraw/zinc/93/31/99/638933199.db2.gz HDKGCAJQFPJOJR-ZDUSSCGKSA-N 1 1 263.344 3.073 20 30 CGEDMO C[C@H]1c2ccccc2CC[N@@H+]1Cc1cncc(C#N)c1 ZINC000929596532 638933201 /nfs/dbraw/zinc/93/32/01/638933201.db2.gz HDKGCAJQFPJOJR-ZDUSSCGKSA-N 1 1 263.344 3.073 20 30 CGEDMO C[N@@H+](CCCCC1(C#N)CCC1)C[C@H]1CCCOC1 ZINC000929609261 638934638 /nfs/dbraw/zinc/93/46/38/638934638.db2.gz VJBSAYQHNAWRDJ-OAHLLOKOSA-N 1 1 264.413 3.209 20 30 CGEDMO CCOC[C@H]1CCC[N@@H+](Cc2c(C)cc(C#N)cc2C)C1 ZINC000929644107 638937069 /nfs/dbraw/zinc/93/70/69/638937069.db2.gz MZNZAIKKTYUOTJ-INIZCTEOSA-N 1 1 286.419 3.424 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCC3(C2)CCOCC3)CCC1 ZINC000929757159 638947629 /nfs/dbraw/zinc/94/76/29/638947629.db2.gz NOMYAYGBRRKMSY-UHFFFAOYSA-N 1 1 276.424 3.353 20 30 CGEDMO CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(C)cc(C#N)cc2C)C1 ZINC000929779787 638950629 /nfs/dbraw/zinc/95/06/29/638950629.db2.gz OJVWGPQTSGNVEO-QGZVFWFLSA-N 1 1 299.462 3.339 20 30 CGEDMO CCC[N@H+](C)C[C@H]1CCN(Cc2c(C)cc(C#N)cc2C)C1 ZINC000929779787 638950633 /nfs/dbraw/zinc/95/06/33/638950633.db2.gz OJVWGPQTSGNVEO-QGZVFWFLSA-N 1 1 299.462 3.339 20 30 CGEDMO CCC[N@@H+](C)C[C@H]1CCN(Cc2c(C)cc(C#N)cc2C)C1 ZINC000929779787 638950635 /nfs/dbraw/zinc/95/06/35/638950635.db2.gz OJVWGPQTSGNVEO-QGZVFWFLSA-N 1 1 299.462 3.339 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)[C@@H](C)[C@H](C)O1 ZINC000930251007 638985908 /nfs/dbraw/zinc/98/59/08/638985908.db2.gz HYCQMDQDJHOYIY-ILXRZTDVSA-N 1 1 264.413 3.348 20 30 CGEDMO N#CC1CCC(C[N@H+]2CC[C@H](c3ccccn3)C2)CC1 ZINC000930317209 638990429 /nfs/dbraw/zinc/99/04/29/638990429.db2.gz YNIYQMFRXHEGNW-GPANFISMSA-N 1 1 269.392 3.201 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)[C@H](C)C1 ZINC000930326319 638991118 /nfs/dbraw/zinc/99/11/18/638991118.db2.gz ZFUVDLYGGIHNQE-IAQYHMDHSA-N 1 1 278.783 3.211 20 30 CGEDMO N#CC1(CCCC[N@H+]2CC[C@@]3(C2)CCCOC3)CCC1 ZINC000930378132 638994020 /nfs/dbraw/zinc/99/40/20/638994020.db2.gz YHIUUKWNFRZEFF-QGZVFWFLSA-N 1 1 276.424 3.353 20 30 CGEDMO CC(C)[C@@H]1CN(C)CC[N@H+]1CCCCC1(C#N)CCC1 ZINC000930573710 639029178 /nfs/dbraw/zinc/02/91/78/639029178.db2.gz AIWVCFBQTBWFFU-INIZCTEOSA-N 1 1 277.456 3.123 20 30 CGEDMO C#CC[C@@H](CCOC)Nc1[nH+]ccc2ccc(C)cc21 ZINC000858858926 639031602 /nfs/dbraw/zinc/03/16/02/639031602.db2.gz VOEJOTDVPRYIGY-HNNXBMFYSA-N 1 1 268.360 3.384 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CCO)CC2)c1 ZINC000930755123 639064517 /nfs/dbraw/zinc/06/45/17/639064517.db2.gz WXMCURCVTGZHKF-CYBMUJFWSA-N 1 1 292.810 3.196 20 30 CGEDMO CC(C)O[C@@H]1CCC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000930850778 639075939 /nfs/dbraw/zinc/07/59/39/639075939.db2.gz WFDRYKCLWHIBCC-UYSNPLJNSA-N 1 1 264.413 3.206 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cncc(C#N)c2)CCc2ccccc21 ZINC000930856191 639077440 /nfs/dbraw/zinc/07/74/40/639077440.db2.gz DFLNGSJRHYFHGV-AWEZNQCLSA-N 1 1 277.371 3.115 20 30 CGEDMO Cc1ccc(N(CCC#N)C(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC000930978854 639094299 /nfs/dbraw/zinc/09/42/99/639094299.db2.gz FWNCUCIHDLCHAI-QGZVFWFLSA-N 1 1 299.418 3.115 20 30 CGEDMO C=CC[N@@H+](C[C@@H]1CC[C@H](C(F)(F)F)O1)C(C)(C)C ZINC000931017217 639098679 /nfs/dbraw/zinc/09/86/79/639098679.db2.gz NXUIATCYEAGMGQ-WDEREUQCSA-N 1 1 265.319 3.383 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(N2CCOCC2)cc1 ZINC000931061747 639106290 /nfs/dbraw/zinc/10/62/90/639106290.db2.gz DHJSRHFUUSBZQG-KDURUIRLSA-N 1 1 298.430 3.206 20 30 CGEDMO C[C@H]1C[N@@H+](CC2CCC(C#N)CC2)C[C@](C)(C(F)F)O1 ZINC000931079380 639108271 /nfs/dbraw/zinc/10/82/71/639108271.db2.gz JPRVNVQWBBKZSK-LFUGVXIPSA-N 1 1 286.366 3.061 20 30 CGEDMO C/C=C\C[C@@H]1CCC[N@@H+](Cc2cncc(C#N)c2)C1 ZINC000931337447 639137747 /nfs/dbraw/zinc/13/77/47/639137747.db2.gz JXZQLKFFKJFEQB-PYLYLYNFSA-N 1 1 255.365 3.131 20 30 CGEDMO N#CCC1(C[N@H+]2CCC[C@H](c3c[nH]c4ncccc34)C2)CC1 ZINC000931376461 639143250 /nfs/dbraw/zinc/14/32/50/639143250.db2.gz PUQQRLDYWPSBOG-AWEZNQCLSA-N 1 1 294.402 3.436 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)C1 ZINC000931910194 639225554 /nfs/dbraw/zinc/22/55/54/639225554.db2.gz AZJSZBRRNYGCGB-MXWKQRLJSA-N 1 1 276.277 3.045 20 30 CGEDMO N#CCC1(C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)CC1 ZINC000931911363 639227218 /nfs/dbraw/zinc/22/72/18/639227218.db2.gz MHYXDRXZVCOJDH-NSHDSACASA-N 1 1 276.277 3.047 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000931925408 639234582 /nfs/dbraw/zinc/23/45/82/639234582.db2.gz KDZGFRJFTIBWGW-MOPGFXCFSA-N 1 1 274.367 3.332 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)c1 ZINC000931934270 639236732 /nfs/dbraw/zinc/23/67/32/639236732.db2.gz RKVOKWKCLHVAJU-PKOBYXMFSA-N 1 1 292.357 3.471 20 30 CGEDMO COc1ccc([C@@H](C)C[N@@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000932150307 639276364 /nfs/dbraw/zinc/27/63/64/639276364.db2.gz BEQFHHDNDJEMQV-KBPBESRZSA-N 1 1 258.365 3.034 20 30 CGEDMO COc1ccc([C@@H](C)C[N@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000932150307 639276371 /nfs/dbraw/zinc/27/63/71/639276371.db2.gz BEQFHHDNDJEMQV-KBPBESRZSA-N 1 1 258.365 3.034 20 30 CGEDMO CC(C)O[C@H](C[N@@H+]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000932155139 639278549 /nfs/dbraw/zinc/27/85/49/639278549.db2.gz XDLFCYZHZAWMRA-DOTOQJQBSA-N 1 1 272.392 3.388 20 30 CGEDMO CC(C)O[C@H](C[N@H+]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000932155139 639278568 /nfs/dbraw/zinc/27/85/68/639278568.db2.gz XDLFCYZHZAWMRA-DOTOQJQBSA-N 1 1 272.392 3.388 20 30 CGEDMO CC(C)(C)OC[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000932173400 639286487 /nfs/dbraw/zinc/28/64/87/639286487.db2.gz WQZUNFGALQZZFC-HNNXBMFYSA-N 1 1 290.382 3.477 20 30 CGEDMO CC(C)(C)OC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000932170878 639286888 /nfs/dbraw/zinc/28/68/88/639286888.db2.gz NSFHDWZYAFVVQA-INIZCTEOSA-N 1 1 272.392 3.338 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000932203644 639296464 /nfs/dbraw/zinc/29/64/64/639296464.db2.gz KZQOWBOWBHHTEI-ZDUSSCGKSA-N 1 1 250.411 3.364 20 30 CGEDMO CC(C)C[N@@H+](Cc1ccccn1)[C@H]1CC[C@H](C#N)C1 ZINC000932448556 639333914 /nfs/dbraw/zinc/33/39/14/639333914.db2.gz BQIJALBGFPWGAR-HOCLYGCPSA-N 1 1 257.381 3.232 20 30 CGEDMO Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@H](C#N)CCC#N ZINC000932566340 639356832 /nfs/dbraw/zinc/35/68/32/639356832.db2.gz CAADQBUGKHDCBP-STQMWFEESA-N 1 1 259.328 3.228 20 30 CGEDMO C[C@@H]([NH2+]C[C@H](O)CC#N)c1cc(Cl)cc(Cl)c1F ZINC000932567382 639356937 /nfs/dbraw/zinc/35/69/37/639356937.db2.gz JFSNFRLBDNSUMC-VXNVDRBHSA-N 1 1 291.153 3.058 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000932701662 639374208 /nfs/dbraw/zinc/37/42/08/639374208.db2.gz LUFFKWYXFRUQLY-KBPBESRZSA-N 1 1 282.428 3.045 20 30 CGEDMO C=CC[C@@H](C)OC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC000860901693 639460330 /nfs/dbraw/zinc/46/03/30/639460330.db2.gz SSBDZNUGDRAHMG-GFCCVEGCSA-N 1 1 253.386 3.147 20 30 CGEDMO CC1(C[N@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)CCC1 ZINC000933627560 639470923 /nfs/dbraw/zinc/47/09/23/639470923.db2.gz FZOWUHMGNONJNI-INIZCTEOSA-N 1 1 270.376 3.122 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@H]1CCC2(CCC2)O1 ZINC000933770438 639487577 /nfs/dbraw/zinc/48/75/77/639487577.db2.gz NXPHZPSFLVUJTQ-CYBMUJFWSA-N 1 1 276.405 3.153 20 30 CGEDMO C=CCCCC[N@H+]1CC[C@H](Cc2nccs2)C1 ZINC000934328366 639585289 /nfs/dbraw/zinc/58/52/89/639585289.db2.gz AFLHHMQRQNCERE-CYBMUJFWSA-N 1 1 250.411 3.364 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CC[C@H](Cc2nccs2)C1 ZINC000934331613 639587269 /nfs/dbraw/zinc/58/72/69/639587269.db2.gz FWHNNVXVYAVPJE-CYBMUJFWSA-N 1 1 283.400 3.079 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1[C@@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000934466538 639614155 /nfs/dbraw/zinc/61/41/55/639614155.db2.gz SKVLGMUMVJZEOS-JSGCOSHPSA-N 1 1 299.374 3.457 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1[C@@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000934466538 639614162 /nfs/dbraw/zinc/61/41/62/639614162.db2.gz SKVLGMUMVJZEOS-JSGCOSHPSA-N 1 1 299.374 3.457 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000934471974 639615536 /nfs/dbraw/zinc/61/55/36/639615536.db2.gz XKDHEAJRLSJHNG-OAHLLOKOSA-N 1 1 253.349 3.023 20 30 CGEDMO C[C@]1(C2CC2)COCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000934475091 639616502 /nfs/dbraw/zinc/61/65/02/639616502.db2.gz JLUBSSOKZQIXOM-MRXNPFEDSA-N 1 1 276.424 3.351 20 30 CGEDMO C=CCCC[N@H+](CC)CCCS(=O)(=O)c1ccccc1 ZINC000934644349 639648262 /nfs/dbraw/zinc/64/82/62/639648262.db2.gz AJWLJFFWNRJGDF-UHFFFAOYSA-N 1 1 295.448 3.139 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1ccc(OC(C)=O)cc1 ZINC000934646077 639649026 /nfs/dbraw/zinc/64/90/26/639649026.db2.gz HMNRHMPLNPIHDG-UHFFFAOYSA-N 1 1 261.365 3.400 20 30 CGEDMO CCOc1ccc(CC[N@@H+](C)CCCCC#N)cc1 ZINC000934724221 639666958 /nfs/dbraw/zinc/66/69/58/639666958.db2.gz UGAQLTFQSVOVKO-UHFFFAOYSA-N 1 1 260.381 3.253 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC000934884979 639701219 /nfs/dbraw/zinc/70/12/19/639701219.db2.gz LBJPKECRDRIUKZ-DOTOQJQBSA-N 1 1 299.418 3.278 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N(CC)[C@@H]2CC[N@@H+](C)C2)c1 ZINC000934886561 639704043 /nfs/dbraw/zinc/70/40/43/639704043.db2.gz DNZWFDMCQWTRFQ-MRXNPFEDSA-N 1 1 287.407 3.278 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000158930602 640023702 /nfs/dbraw/zinc/02/37/02/640023702.db2.gz PHCMHCHOPFEYOJ-KBPBESRZSA-N 1 1 258.365 3.352 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1c(Cl)nc2ccccn21 ZINC000158990952 640027105 /nfs/dbraw/zinc/02/71/05/640027105.db2.gz FLRMDVMNZPUSDM-UHFFFAOYSA-N 1 1 263.772 3.386 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1c(Cl)nc2ccccn21 ZINC000158990952 640027109 /nfs/dbraw/zinc/02/71/09/640027109.db2.gz FLRMDVMNZPUSDM-UHFFFAOYSA-N 1 1 263.772 3.386 20 30 CGEDMO CCCOC(=O)[C@H](C)[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000159770141 640067812 /nfs/dbraw/zinc/06/78/12/640067812.db2.gz UHTDARCBXYIGPQ-AWEZNQCLSA-N 1 1 288.391 3.110 20 30 CGEDMO CCCOC(=O)[C@H](C)[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000159770141 640067816 /nfs/dbraw/zinc/06/78/16/640067816.db2.gz UHTDARCBXYIGPQ-AWEZNQCLSA-N 1 1 288.391 3.110 20 30 CGEDMO C=C(C)C[N@@H+](CC)C[C@H](O)c1cccc(Cl)c1 ZINC000075617672 640147243 /nfs/dbraw/zinc/14/72/43/640147243.db2.gz WKIUEAYQBOMCLX-AWEZNQCLSA-N 1 1 253.773 3.271 20 30 CGEDMO C[C@H]1CSCC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000190418522 640245013 /nfs/dbraw/zinc/24/50/13/640245013.db2.gz RGOVRMDWWOZGCK-CQSZACIVSA-N 1 1 290.432 3.012 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2C[C@@H](CC)O[C@@H](C)C2)cc1 ZINC000092487306 640738064 /nfs/dbraw/zinc/73/80/64/640738064.db2.gz SUIHQASRABRZHC-DOTOQJQBSA-N 1 1 287.403 3.088 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2C[C@@H](CC)O[C@@H](C)C2)cc1 ZINC000092487306 640738066 /nfs/dbraw/zinc/73/80/66/640738066.db2.gz SUIHQASRABRZHC-DOTOQJQBSA-N 1 1 287.403 3.088 20 30 CGEDMO Cc1ccc(O)c(C[N@H+](CCC#N)CCC(C)C)c1 ZINC000093100913 640756865 /nfs/dbraw/zinc/75/68/65/640756865.db2.gz SYSUFTVXGFBSSA-UHFFFAOYSA-N 1 1 260.381 3.462 20 30 CGEDMO C=CCCC[N@@H+](C)Cc1c(Cl)nc2ccccn21 ZINC000093533548 640775367 /nfs/dbraw/zinc/77/53/67/640775367.db2.gz ZAQCLRVLUMRLPD-UHFFFAOYSA-N 1 1 263.772 3.386 20 30 CGEDMO C=CCCC[N@H+](C)Cc1c(Cl)nc2ccccn21 ZINC000093533548 640775369 /nfs/dbraw/zinc/77/53/69/640775369.db2.gz ZAQCLRVLUMRLPD-UHFFFAOYSA-N 1 1 263.772 3.386 20 30 CGEDMO CC[C@@H](C)c1ccc(NC(=[NH2+])NCCN(CC)CC)cc1 ZINC000303706858 640839407 /nfs/dbraw/zinc/83/94/07/640839407.db2.gz LYVWJDFZNMWCBL-CQSZACIVSA-N 1 1 290.455 3.269 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2oc(C)cc2C)C1 ZINC001007046729 640939277 /nfs/dbraw/zinc/93/92/77/640939277.db2.gz WTQPXDZUVCRFAC-HNNXBMFYSA-N 1 1 290.407 3.057 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001007095035 640939889 /nfs/dbraw/zinc/93/98/89/640939889.db2.gz YRPWXNUBHMSJHB-HNNXBMFYSA-N 1 1 294.414 3.331 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C(C)=C2CCC2)C1 ZINC001007308550 640940792 /nfs/dbraw/zinc/94/07/92/640940792.db2.gz NYPFDEKICSIUNR-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2occc2C(C)C)C1 ZINC001008274958 640949671 /nfs/dbraw/zinc/94/96/71/640949671.db2.gz IOIHDVCEWKVMCP-CQSZACIVSA-N 1 1 290.407 3.173 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C)cc2)C1 ZINC001009313517 640957836 /nfs/dbraw/zinc/95/78/36/640957836.db2.gz PSGXOQRWINAWCF-KRWDZBQOSA-N 1 1 286.419 3.155 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001009291789 640958031 /nfs/dbraw/zinc/95/80/31/640958031.db2.gz MTAALZBDXJAHOI-OAHLLOKOSA-N 1 1 292.810 3.110 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C)c2C)C1 ZINC001009385149 640959216 /nfs/dbraw/zinc/95/92/16/640959216.db2.gz RUIPAHFSPASKTC-INIZCTEOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2coc3ccccc23)C1 ZINC001009723442 640963750 /nfs/dbraw/zinc/96/37/50/640963750.db2.gz AIALOJKBVUCVPV-CQSZACIVSA-N 1 1 298.386 3.203 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001014437724 640972403 /nfs/dbraw/zinc/97/24/03/640972403.db2.gz KHGKUCFYEGPUQN-JKSUJKDBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001014544895 640973506 /nfs/dbraw/zinc/97/35/06/640973506.db2.gz PLPMDBBTTNDPHL-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)C2CCCC2)C1 ZINC001014750158 640975352 /nfs/dbraw/zinc/97/53/52/640975352.db2.gz UCZPWYPYINOASY-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CCC)C1 ZINC001015218093 640977583 /nfs/dbraw/zinc/97/75/83/640977583.db2.gz RSLZWOFMKOKZHZ-MRXNPFEDSA-N 1 1 286.419 3.019 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2cc(C)sc2C)C1 ZINC001015152822 640978339 /nfs/dbraw/zinc/97/83/39/640978339.db2.gz MBPQIKYJOHTEFQ-CQSZACIVSA-N 1 1 292.448 3.135 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2cc(Cl)cs2)C1 ZINC001015788939 640986429 /nfs/dbraw/zinc/98/64/29/640986429.db2.gz TYHKZGRRTXKBLV-GFCCVEGCSA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001016174687 640992927 /nfs/dbraw/zinc/99/29/27/640992927.db2.gz RINYRRAQSSNCIR-OAHLLOKOSA-N 1 1 298.386 3.203 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001016380613 640997780 /nfs/dbraw/zinc/99/77/80/640997780.db2.gz FHFOODQAEZHOFP-GPANFISMSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)c2ccc(C3=CCCC3)cc2)C1 ZINC001016444422 640999567 /nfs/dbraw/zinc/99/95/67/640999567.db2.gz VMHNCVMBBKIEKR-SFHVURJKSA-N 1 1 296.414 3.244 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)CC2CCC(C)(C)CC2)C1 ZINC001016433029 640999600 /nfs/dbraw/zinc/99/96/00/640999600.db2.gz NQFICQZFOULOPO-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[C@@H]1C ZINC001017576826 641013352 /nfs/dbraw/zinc/01/33/52/641013352.db2.gz DUQHFZLZFAAMEG-LUKYLMHMSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC1(C)C ZINC001017828400 641017627 /nfs/dbraw/zinc/01/76/27/641017627.db2.gz VBXFYKVMOLSMTF-XHSDSOJGSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1cccc2[nH]ccc21 ZINC001155400639 805578106 /nfs/dbraw/zinc/57/81/06/805578106.db2.gz KFDJGFIJBYAENE-CQSZACIVSA-N 1 1 299.418 3.184 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)CCCC ZINC001155489764 805585845 /nfs/dbraw/zinc/58/58/45/805585845.db2.gz LSWZISUAFYYFAP-CQSZACIVSA-N 1 1 268.445 3.215 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)CCCCC(C)C ZINC001155895458 805623390 /nfs/dbraw/zinc/62/33/90/805623390.db2.gz GLFLZEDUTZZWFX-MRXNPFEDSA-N 1 1 280.456 3.053 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)C1(F)CCCCC1 ZINC001156188651 805664712 /nfs/dbraw/zinc/66/47/12/805664712.db2.gz DFLAHJJJHULSIG-OAHLLOKOSA-N 1 1 298.446 3.452 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1cccc(Cl)c1 ZINC001156561160 805713591 /nfs/dbraw/zinc/71/35/91/805713591.db2.gz SMGXIFIBZTVRNX-CYBMUJFWSA-N 1 1 294.826 3.356 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1cc(C)ccc1C ZINC001156589772 805717449 /nfs/dbraw/zinc/71/74/49/805717449.db2.gz BNUBOLVMNSMQTN-MRXNPFEDSA-N 1 1 288.435 3.320 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1ccc(C)cc1C ZINC001156699781 805727916 /nfs/dbraw/zinc/72/79/16/805727916.db2.gz BPJXMLRXBBCECW-MRXNPFEDSA-N 1 1 288.435 3.320 20 30 CGEDMO Cc1c[nH]c2nc[nH+]c(N[C@@H](C)c3cccc(C#N)c3)c12 ZINC001156871765 805742600 /nfs/dbraw/zinc/74/26/00/805742600.db2.gz SGYCIJBXUYDPPW-NSHDSACASA-N 1 1 277.331 3.311 20 30 CGEDMO Cc1nc(N[C@@H](C)c2cccc(C#N)c2)c(C)c(C)[nH+]1 ZINC001156876092 805744389 /nfs/dbraw/zinc/74/43/89/805744389.db2.gz HZLLWTCBAUUAKV-LBPRGKRZSA-N 1 1 266.348 3.447 20 30 CGEDMO C#Cc1ccc(-c2nc3ccc(C[NH+](C)C)cc3[nH]2)cc1 ZINC001251008451 805826039 /nfs/dbraw/zinc/82/60/39/805826039.db2.gz PLUZNQNXDLVXRX-UHFFFAOYSA-N 1 1 275.355 3.273 20 30 CGEDMO C#Cc1cccc(-c2nc3ccc(C[NH+](C)C)cc3[nH]2)c1 ZINC001251032252 805832513 /nfs/dbraw/zinc/83/25/13/805832513.db2.gz UFZUVMVOQQHIRT-UHFFFAOYSA-N 1 1 275.355 3.273 20 30 CGEDMO C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](CC)CCCC ZINC001157577850 805837135 /nfs/dbraw/zinc/83/71/35/805837135.db2.gz FYWOOQFHWNCATK-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO Cc1cccc(C2(Nc3ccc(CC#N)c(C)[nH+]3)COC2)c1 ZINC001157676622 805851882 /nfs/dbraw/zinc/85/18/82/805851882.db2.gz CFWIYONSEIWCDW-UHFFFAOYSA-N 1 1 293.370 3.102 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)/C=C\C(C)(C)C ZINC001157711688 805856480 /nfs/dbraw/zinc/85/64/80/805856480.db2.gz WGXKPDAVXMPGHU-BLIJAFNYSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H](C)SC ZINC001157827695 805879960 /nfs/dbraw/zinc/87/99/60/805879960.db2.gz IMNXJPJRIKJDRQ-HUUCEWRRSA-N 1 1 298.496 3.017 20 30 CGEDMO Cc1ccc(CC#N)c(NCc2cc(C(C)C)no2)[nH+]1 ZINC001157995721 805912077 /nfs/dbraw/zinc/91/20/77/805912077.db2.gz WTQRKYBCNHJUSL-UHFFFAOYSA-N 1 1 270.336 3.180 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)C1CCCC1 ZINC001158744485 805995150 /nfs/dbraw/zinc/99/51/50/805995150.db2.gz LHVMEABNWRRHKT-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO Cc1ccc(CC#N)c(N2CCc3cc(F)c(F)cc3C2)[nH+]1 ZINC001158808276 806005377 /nfs/dbraw/zinc/00/53/77/806005377.db2.gz APAIAAJTOOXTAU-UHFFFAOYSA-N 1 1 299.324 3.297 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+](C)C1CCN(C)CC1 ZINC001252122758 806010132 /nfs/dbraw/zinc/01/01/32/806010132.db2.gz ZIECMCMHGNTMHU-QGZVFWFLSA-N 1 1 284.488 3.124 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC(=O)[C@@H](F)CC1 ZINC001252123610 806011069 /nfs/dbraw/zinc/01/10/69/806011069.db2.gz KDISNJWPUUOZKT-GJZGRUSLSA-N 1 1 287.419 3.101 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+]1CCC(=O)[C@@H](F)CC1 ZINC001252123610 806011079 /nfs/dbraw/zinc/01/10/79/806011079.db2.gz KDISNJWPUUOZKT-GJZGRUSLSA-N 1 1 287.419 3.101 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H](O)CC1 ZINC001252124597 806013419 /nfs/dbraw/zinc/01/34/19/806013419.db2.gz SDNAWLWKBHPKLR-IKGGRYGDSA-N 1 1 285.472 3.191 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001252126662 806014052 /nfs/dbraw/zinc/01/40/52/806014052.db2.gz RJNKFSLHQNELOY-IKGGRYGDSA-N 1 1 283.456 3.209 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@H](CCO)C1 ZINC001252130327 806016367 /nfs/dbraw/zinc/01/63/67/806016367.db2.gz OKEAGXONLQOUQF-IAGOWNOFSA-N 1 1 285.472 3.192 20 30 CGEDMO CCCCCCCC[C@@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001252136107 806021794 /nfs/dbraw/zinc/02/17/94/806021794.db2.gz MNGRVQGHHGGFOZ-XMTFNYHQSA-N 1 1 296.499 3.313 20 30 CGEDMO CCCCCCCC[C@@H](O)C[NH2+]Cc1nccnc1Cl ZINC001252137301 806023594 /nfs/dbraw/zinc/02/35/94/806023594.db2.gz XKJXXLICIMUPCA-CYBMUJFWSA-N 1 1 299.846 3.331 20 30 CGEDMO C=CCOC[C@H](O)C[N@@H+]1CCC[C@H]1c1cc(C)cc(C)c1 ZINC001252472918 806048548 /nfs/dbraw/zinc/04/85/48/806048548.db2.gz COHIARCZJXEMLH-MSOLQXFVSA-N 1 1 289.419 3.004 20 30 CGEDMO CCCCCCCC[N@@H+](C)C[C@H](O)COCCCC ZINC001252511795 806053133 /nfs/dbraw/zinc/05/31/33/806053133.db2.gz BGHFKRYFVNIYSA-INIZCTEOSA-N 1 1 273.461 3.456 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1CCC[C@@H]1c1cc(F)cc(F)c1 ZINC001252556287 806064875 /nfs/dbraw/zinc/06/48/75/806064875.db2.gz GBGDFDJUMJLIJV-CABCVRRESA-N 1 1 267.319 3.039 20 30 CGEDMO C=C[C@](C)(O)C[N@@H+](C)Cc1cccc(Cl)c1Cl ZINC001252555261 806064954 /nfs/dbraw/zinc/06/49/54/806064954.db2.gz QXZPEMXQNRBMBI-ZDUSSCGKSA-N 1 1 274.191 3.362 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+]1CCSC[C@H]1c1cccc(Cl)c1 ZINC001252561193 806065937 /nfs/dbraw/zinc/06/59/37/806065937.db2.gz YHUZOXRPBWNUHC-LSDHHAIUSA-N 1 1 297.851 3.367 20 30 CGEDMO CCCCCCCC[N@@H+](C)C[C@H](O)COCc1ccco1 ZINC001252638463 806096172 /nfs/dbraw/zinc/09/61/72/806096172.db2.gz SUAHKNZPPQEARB-INIZCTEOSA-N 1 1 297.439 3.449 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+](C)C1CCN(CC)CC1 ZINC001253238836 806189718 /nfs/dbraw/zinc/18/97/18/806189718.db2.gz IFNFRZWDZBQUBM-SFHVURJKSA-N 1 1 296.499 3.290 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001253238879 806189805 /nfs/dbraw/zinc/18/98/05/806189805.db2.gz IPYRATBBMDZYRW-CAOSSQGBSA-N 1 1 269.404 3.306 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[NH2+]Cc1nccc(Cl)n1 ZINC001253251506 806196822 /nfs/dbraw/zinc/19/68/22/806196822.db2.gz LTSMDGZBNXDSPW-CYBMUJFWSA-N 1 1 297.830 3.107 20 30 CGEDMO C=CCCCCCC[C@H](O)C[NH2+][C@H](C)c1ncc(F)cn1 ZINC001253250954 806196925 /nfs/dbraw/zinc/19/69/25/806196925.db2.gz GKMMXTQCCRZFOO-HIFRSBDPSA-N 1 1 295.402 3.154 20 30 CGEDMO C=CC(C)(C)CC(=O)NCCC1=CC[N@@H+](CC(C)C)CC1 ZINC001160253310 806242906 /nfs/dbraw/zinc/24/29/06/806242906.db2.gz PKJFODLDRRJORQ-UHFFFAOYSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C[C@@H](O)CNc1ccccc1C[N@H+](C)C1CCCCC1 ZINC001253593696 806268456 /nfs/dbraw/zinc/26/84/56/806268456.db2.gz OZEARHZLUFJLHC-QGZVFWFLSA-N 1 1 288.435 3.410 20 30 CGEDMO Cc1ccc(CC#N)c(NCCc2cc(F)cc(F)c2)[nH+]1 ZINC001160575017 806285247 /nfs/dbraw/zinc/28/52/47/806285247.db2.gz PNJXUUZJSLOSOC-UHFFFAOYSA-N 1 1 287.313 3.389 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)CCCF)CC1 ZINC001160895935 806316758 /nfs/dbraw/zinc/31/67/58/806316758.db2.gz KHDGLVJVRAWMQH-HNNXBMFYSA-N 1 1 296.430 3.229 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)C/C=C(/C)C=C)CC1 ZINC001160923421 806323920 /nfs/dbraw/zinc/32/39/20/806323920.db2.gz VMMFVECWYJRUAL-APSNUPSMSA-N 1 1 288.435 3.223 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1ccc(C(C)(C)C)cn1 ZINC001160957943 806327897 /nfs/dbraw/zinc/32/78/97/806327897.db2.gz YDHQGTVLZQZJRA-HNNXBMFYSA-N 1 1 273.424 3.441 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NCCC1=CC[N@@H+](CCC)CC1 ZINC001160990708 806332420 /nfs/dbraw/zinc/33/24/20/806332420.db2.gz GZZZNQGVHMURNC-HNNXBMFYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NCCC1=CC[N@@H+](CCC)CC1 ZINC001160990709 806333107 /nfs/dbraw/zinc/33/31/07/806333107.db2.gz GZZZNQGVHMURNC-OAHLLOKOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCCC1=CC[N@@H+](CC(=C)C)CC1 ZINC001161116701 806351006 /nfs/dbraw/zinc/35/10/06/806351006.db2.gz PBHUABUSDYBBRM-GOSISDBHSA-N 1 1 290.451 3.303 20 30 CGEDMO CC[C@@H](Nc1ccc(CC#N)c(C)[nH+]1)C(F)(F)F ZINC001161382762 806372809 /nfs/dbraw/zinc/37/28/09/806372809.db2.gz QQQJJCPNFSRQIX-SNVBAGLBSA-N 1 1 257.259 3.209 20 30 CGEDMO C[N@@H+](CCF)C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254360591 806383163 /nfs/dbraw/zinc/38/31/63/806383163.db2.gz GGECBFPLXOKYSV-UHFFFAOYSA-N 1 1 278.346 3.431 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)CC(CC)CC)CC1 ZINC001161560374 806390314 /nfs/dbraw/zinc/39/03/14/806390314.db2.gz YXNDCTYJRQIOCK-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCN(Cc1ccccc1)[C@H]1CCC[N@@H+](C)CC1 ZINC001254525082 806439655 /nfs/dbraw/zinc/43/96/55/806439655.db2.gz FXUBRYQEOFFDRC-KRWDZBQOSA-N 1 1 258.409 3.159 20 30 CGEDMO C=CCN(Cc1ccccc1)[C@H]1CCC[N@H+](C)CC1 ZINC001254525082 806439659 /nfs/dbraw/zinc/43/96/59/806439659.db2.gz FXUBRYQEOFFDRC-KRWDZBQOSA-N 1 1 258.409 3.159 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)[C@H]1CCCN(C)CC1 ZINC001254525082 806439661 /nfs/dbraw/zinc/43/96/61/806439661.db2.gz FXUBRYQEOFFDRC-KRWDZBQOSA-N 1 1 258.409 3.159 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@H]1CCCN(C)CC1 ZINC001254525082 806439665 /nfs/dbraw/zinc/43/96/65/806439665.db2.gz FXUBRYQEOFFDRC-KRWDZBQOSA-N 1 1 258.409 3.159 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC001254557049 806449449 /nfs/dbraw/zinc/44/94/49/806449449.db2.gz OTXRUBHUZRHQPE-NVXWUHKLSA-N 1 1 257.377 3.341 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([NH2+]Cc2nccc(Cl)c2Cl)C1 ZINC001254648265 806473029 /nfs/dbraw/zinc/47/30/29/806473029.db2.gz GZZFMTYONOCUPI-RKDXNWHRSA-N 1 1 270.163 3.170 20 30 CGEDMO C[N@@H+]([C@@H]1CC[C@@H](C#N)C1)C1CCN(Cc2ccccc2)CC1 ZINC001254661107 806477840 /nfs/dbraw/zinc/47/78/40/806477840.db2.gz PAGXMPCWDSKJCK-IEBWSBKVSA-N 1 1 297.446 3.275 20 30 CGEDMO C[N@@H+](CC/C=C/c1cccnc1)[C@H]1CC[C@@H](C#N)C1 ZINC001254674409 806483491 /nfs/dbraw/zinc/48/34/91/806483491.db2.gz YPFQXTJKJVXQQO-MGKANHGQSA-N 1 1 255.365 3.109 20 30 CGEDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@H]1CC[C@@H](C#N)C1 ZINC001254676673 806484711 /nfs/dbraw/zinc/48/47/11/806484711.db2.gz MZMFEUOFJIZZMU-WBVHZDCISA-N 1 1 271.408 3.267 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@H]1CC2CCN(CC2)C1 ZINC001254862939 806502299 /nfs/dbraw/zinc/50/22/99/806502299.db2.gz VTLMQSGOTCHRDW-INIZCTEOSA-N 1 1 252.446 3.373 20 30 CGEDMO C#CC[N@H+]([C@H]1C[C@@H]2CC(=O)C[C@@H]2C1)[C@@H]1CCc2ccccc21 ZINC001254952915 806517812 /nfs/dbraw/zinc/51/78/12/806517812.db2.gz IDZHCYWIROQGFU-NHAYFPRASA-N 1 1 293.410 3.367 20 30 CGEDMO N#CCC[N@@H+](Cc1ccc(Cl)cc1)C1CCOCC1 ZINC001255044570 806533173 /nfs/dbraw/zinc/53/31/73/806533173.db2.gz BOOBVYCNVORKDF-UHFFFAOYSA-N 1 1 278.783 3.235 20 30 CGEDMO N#CCC[N@H+](Cc1ccc(Cl)cc1)C1CCOCC1 ZINC001255044570 806533177 /nfs/dbraw/zinc/53/31/77/806533177.db2.gz BOOBVYCNVORKDF-UHFFFAOYSA-N 1 1 278.783 3.235 20 30 CGEDMO N#CC1(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC001255101062 806543404 /nfs/dbraw/zinc/54/34/04/806543404.db2.gz MFTBTZBQHNUFAP-QGZVFWFLSA-N 1 1 283.419 3.077 20 30 CGEDMO CC[C@@H](CC#N)[NH2+][C@H]1CCCc2ccc(C(=O)OC)cc21 ZINC001255162195 806561484 /nfs/dbraw/zinc/56/14/84/806561484.db2.gz JRNHHSFJZAOZCS-HOCLYGCPSA-N 1 1 286.375 3.132 20 30 CGEDMO CC[C@@H](CC#N)[NH2+][C@H](c1ccccc1OC)C1CC1 ZINC001255164497 806562460 /nfs/dbraw/zinc/56/24/60/806562460.db2.gz NCSPWBWQAKCROI-BBRMVZONSA-N 1 1 258.365 3.428 20 30 CGEDMO CC[C@@H](CC#N)[NH+]1CCC(Oc2ccccc2)CC1 ZINC001255164994 806562933 /nfs/dbraw/zinc/56/29/33/806562933.db2.gz RNRBLWOWFLZOQX-AWEZNQCLSA-N 1 1 258.365 3.222 20 30 CGEDMO CC[C@@H](CC#N)[N@H+](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001255167248 806565117 /nfs/dbraw/zinc/56/51/17/806565117.db2.gz WMFVUUVKLBSIOQ-UONOGXRCSA-N 1 1 295.427 3.010 20 30 CGEDMO CC[C@@H](CC#N)[N@@H+](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001255167248 806565122 /nfs/dbraw/zinc/56/51/22/806565122.db2.gz WMFVUUVKLBSIOQ-UONOGXRCSA-N 1 1 295.427 3.010 20 30 CGEDMO CC[C@@H](CC#N)[N@@H+](Cc1ccccc1)C1CCOCC1 ZINC001255174394 806569415 /nfs/dbraw/zinc/56/94/15/806569415.db2.gz WIIDLNONPMMCMK-INIZCTEOSA-N 1 1 272.392 3.360 20 30 CGEDMO CC[C@H](CC#N)N1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001255178746 806572306 /nfs/dbraw/zinc/57/23/06/806572306.db2.gz JCEZECQYKGQPJD-CEXWTWQISA-N 1 1 297.446 3.133 20 30 CGEDMO Cc1cn2cc(Nc3c(C#N)cccc3[N+](=O)[O-])ccc2[nH+]1 ZINC001162568047 806620890 /nfs/dbraw/zinc/62/08/90/806620890.db2.gz NEIUSSRZOHYOCP-UHFFFAOYSA-N 1 1 293.286 3.166 20 30 CGEDMO C=CCCCC[N@H+](C)[C@H]1CCC[C@@H](C(=O)OCC)C1 ZINC001255370571 806626175 /nfs/dbraw/zinc/62/61/75/806626175.db2.gz MSDMUZQVCOJHEC-CABCVRRESA-N 1 1 267.413 3.396 20 30 CGEDMO Cc1cc(F)c(C#N)c(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC001162800340 806667916 /nfs/dbraw/zinc/66/79/16/806667916.db2.gz YHDLPJVLKDDJKX-VXGBXAGGSA-N 1 1 273.355 3.043 20 30 CGEDMO Cc1nc([C@H](C)[NH2+]Cc2ccc(C#N)cc2)c(C)s1 ZINC000037748359 798873419 /nfs/dbraw/zinc/87/34/19/798873419.db2.gz ZJASQYXZGPYCRQ-JTQLQIEISA-N 1 1 271.389 3.482 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2ccc(Br)o2)cc1 ZINC000037748247 798873462 /nfs/dbraw/zinc/87/34/62/798873462.db2.gz OTIFLSVWISSZCI-UHFFFAOYSA-N 1 1 291.148 3.204 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1OC ZINC000077252900 798927915 /nfs/dbraw/zinc/92/79/15/798927915.db2.gz FWGADODJRMVYAK-GASCZTMLSA-N 1 1 287.403 3.185 20 30 CGEDMO C=CCCCC[N@H+](C)C1C[C@H]2CCC[C@@H](C1)N2C ZINC001255683405 806703666 /nfs/dbraw/zinc/70/36/66/806703666.db2.gz OKMFVEOPZSSJPD-XYPWUTKMSA-N 1 1 250.430 3.290 20 30 CGEDMO C=C(C)C[N@@H+](CC)C[C@H](O)c1cccc(Br)c1 ZINC000125731871 799002347 /nfs/dbraw/zinc/00/23/47/799002347.db2.gz KWZXFQFATAPRBF-AWEZNQCLSA-N 1 1 298.224 3.381 20 30 CGEDMO O=C(Nc1cnn(C(F)F)c1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000329807485 799254670 /nfs/dbraw/zinc/25/46/70/799254670.db2.gz AEJPZCJDAQNAMZ-LBPRGKRZSA-N 1 1 298.337 3.273 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1CC(=O)OC)C(C)(C)C ZINC000382505744 799395893 /nfs/dbraw/zinc/39/58/93/799395893.db2.gz WITBFNJOFOMSEQ-UHFFFAOYSA-N 1 1 275.392 3.189 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](Nc2ncc(Cl)cc2C#N)[C@@H](C)C1 ZINC001163365131 806749621 /nfs/dbraw/zinc/74/96/21/806749621.db2.gz HNHGCBSDOQAFPK-FZMZJTMJSA-N 1 1 292.814 3.137 20 30 CGEDMO C=C(C)CNc1ccc2c(cc(OC)c(OC)c2OC)[nH+]1 ZINC001163375878 806753449 /nfs/dbraw/zinc/75/34/49/806753449.db2.gz MUXRZSNTZDXTFZ-UHFFFAOYSA-N 1 1 288.347 3.249 20 30 CGEDMO C[C@@H](Cc1ccccc1F)[N@H+]1CCC[C@@H](C#N)CC1 ZINC001255851330 806767317 /nfs/dbraw/zinc/76/73/17/806767317.db2.gz MFRRCPBQNZSKIE-UONOGXRCSA-N 1 1 260.356 3.382 20 30 CGEDMO C=CCN1CC[C@@]2(CCC[N@H+](C3CCCCCC3)C2)C1=O ZINC001255888569 806784539 /nfs/dbraw/zinc/78/45/39/806784539.db2.gz OYEXMBNNFMTKHM-GOSISDBHSA-N 1 1 290.451 3.210 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001255915598 806788542 /nfs/dbraw/zinc/78/85/42/806788542.db2.gz OVHINPVGOHXXOF-AWEZNQCLSA-N 1 1 282.428 3.284 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000710454522 800035285 /nfs/dbraw/zinc/03/52/85/800035285.db2.gz CWVCPYVNTDPKLI-GFCCVEGCSA-N 1 1 287.363 3.143 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000710454522 800035290 /nfs/dbraw/zinc/03/52/90/800035290.db2.gz CWVCPYVNTDPKLI-GFCCVEGCSA-N 1 1 287.363 3.143 20 30 CGEDMO N#Cc1ccc(OCCC[N@@H+]2CCC[C@H](CF)C2)cc1 ZINC000711421204 800056951 /nfs/dbraw/zinc/05/69/51/800056951.db2.gz OPRVTKXUOYDEMH-OAHLLOKOSA-N 1 1 276.355 3.009 20 30 CGEDMO C#CC[C@H](COC)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000716339942 800168450 /nfs/dbraw/zinc/16/84/50/800168450.db2.gz JDKASXFFISKHFW-GFCCVEGCSA-N 1 1 274.751 3.338 20 30 CGEDMO CCCCCCCCCc1nc(C2([NH3+])CC2)no1 ZINC000721135529 800278283 /nfs/dbraw/zinc/27/82/83/800278283.db2.gz MRRXNSSHKXCQTF-UHFFFAOYSA-N 1 1 251.374 3.311 20 30 CGEDMO Cc1[nH+]c(N2CC[C@@H](F)C(F)(F)CC2)ccc1CC#N ZINC001163784870 806828069 /nfs/dbraw/zinc/82/80/69/806828069.db2.gz PYVIHWUVELVHNA-GFCCVEGCSA-N 1 1 283.297 3.030 20 30 CGEDMO C[C@@H]([NH2+]CC(C)(C)C#N)c1cncc(Br)c1 ZINC000829123765 800484833 /nfs/dbraw/zinc/48/48/33/800484833.db2.gz ZAFQZYVFFQVDTC-SECBINFHSA-N 1 1 282.185 3.044 20 30 CGEDMO COc1cc(C#N)ccc1C[NH2+][C@H](c1ccccn1)C1CC1 ZINC000932383800 800661817 /nfs/dbraw/zinc/66/18/17/800661817.db2.gz NMTRHUNDVGIABW-SFHVURJKSA-N 1 1 293.370 3.203 20 30 CGEDMO C#CC[N@@H+](Cc1oc(-c2ccccc2)nc1C)C(C)C ZINC000932384768 800663323 /nfs/dbraw/zinc/66/33/23/800663323.db2.gz YAPGQBZNNMSZCN-UHFFFAOYSA-N 1 1 268.360 3.494 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)ccc2C)[C@H]1C ZINC000994298938 800696012 /nfs/dbraw/zinc/69/60/12/800696012.db2.gz UWIXXZMSFWUBDG-WBVHZDCISA-N 1 1 286.419 3.072 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)C2C(C)(C)C2(C)C)C1 ZINC001023292487 800708433 /nfs/dbraw/zinc/70/84/33/800708433.db2.gz VMXPWKSENDVFTE-AWEZNQCLSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)c2cc(C)cs2)C1 ZINC001023358312 800710706 /nfs/dbraw/zinc/71/07/06/800710706.db2.gz DOQDKUXRPVZZAB-CQSZACIVSA-N 1 1 292.448 3.074 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001023768111 800714721 /nfs/dbraw/zinc/71/47/21/800714721.db2.gz MVBBWIYNJIXXQY-CVEARBPZSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC001024564742 800730388 /nfs/dbraw/zinc/73/03/88/800730388.db2.gz LQCSPYACHYVCKR-SOLBZPMBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cocc1C ZINC001024605426 800732220 /nfs/dbraw/zinc/73/22/20/800732220.db2.gz WDERGRQNHWBBIK-OAHLLOKOSA-N 1 1 290.407 3.139 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccsc1Cl ZINC001024691702 800734498 /nfs/dbraw/zinc/73/44/98/800734498.db2.gz ZVVMRPJIFKYFHK-LLVKDONJSA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1csc(C)c1 ZINC001024706042 800735349 /nfs/dbraw/zinc/73/53/49/800735349.db2.gz REKLSJWGXJUMHR-OAHLLOKOSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C2CC2)cc1 ZINC001024808845 800737407 /nfs/dbraw/zinc/73/74/07/800737407.db2.gz LNJUJQFUZKRICU-GOSISDBHSA-N 1 1 298.430 3.334 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(Cl)c1 ZINC001024773201 800737693 /nfs/dbraw/zinc/73/76/93/800737693.db2.gz CRCPNYRCYWBPMM-HNNXBMFYSA-N 1 1 292.810 3.110 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)F ZINC001025185021 800745629 /nfs/dbraw/zinc/74/56/29/800745629.db2.gz RPPFTVIWAVIWHX-GJZGRUSLSA-N 1 1 296.430 3.156 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC(C)C ZINC001025196310 800748649 /nfs/dbraw/zinc/74/86/49/800748649.db2.gz SPPFSUYDVQCGPQ-IAGOWNOFSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC1CCC1 ZINC001025214701 800750199 /nfs/dbraw/zinc/75/01/99/800750199.db2.gz DFGVSRKMDXNFJY-IAGOWNOFSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)/C(C)=C\C ZINC001025219507 800750249 /nfs/dbraw/zinc/75/02/49/800750249.db2.gz XJKWJXHSOBSORS-PACMQTEUSA-N 1 1 290.451 3.374 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)C=C ZINC001025254623 800751241 /nfs/dbraw/zinc/75/12/41/800751241.db2.gz MCFZKFATJUYFSI-HOTGVXAUSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)C ZINC001025292372 800753039 /nfs/dbraw/zinc/75/30/39/800753039.db2.gz HWVKGAIUCVGMEZ-HOTGVXAUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC=CCCC2)C1 ZINC001027460550 800796037 /nfs/dbraw/zinc/79/60/37/800796037.db2.gz KLMIQOQHOATWRB-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)C(C)(C)C)C1 ZINC001027464636 800797787 /nfs/dbraw/zinc/79/77/87/800797787.db2.gz HUFFTMRYLWCDLP-CABCVRRESA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C)C(C)(C)C)C1 ZINC001027464637 800798552 /nfs/dbraw/zinc/79/85/52/800798552.db2.gz HUFFTMRYLWCDLP-GJZGRUSLSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[C@H]([N@H+](C)C(C)C)C2)CC1 ZINC001027559400 800803650 /nfs/dbraw/zinc/80/36/50/800803650.db2.gz XEZVUSNWWLGKBR-INIZCTEOSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@H]([N@H+](C)CC(=C)Cl)C1 ZINC001027560115 800804048 /nfs/dbraw/zinc/80/40/48/800804048.db2.gz QGCVJMCCUYLAQH-GOEBONIOSA-N 1 1 298.858 3.264 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@H]([N@@H+](C)CC(=C)Cl)C1 ZINC001027560115 800804054 /nfs/dbraw/zinc/80/40/54/800804054.db2.gz QGCVJMCCUYLAQH-GOEBONIOSA-N 1 1 298.858 3.264 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)CC2CCCCCC2)C1 ZINC001027596927 800806301 /nfs/dbraw/zinc/80/63/01/800806301.db2.gz FBRTUYUCTQCPMF-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)C1CCCCC1 ZINC001027730121 800817678 /nfs/dbraw/zinc/81/76/78/800817678.db2.gz YFNOOKWQAKNBRJ-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001027903505 800825945 /nfs/dbraw/zinc/82/59/45/800825945.db2.gz IKJBJOPJKRASNN-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC12CC2 ZINC001027965664 800828695 /nfs/dbraw/zinc/82/86/95/800828695.db2.gz ZVNCXFZQPGPTRS-HOTGVXAUSA-N 1 1 290.451 3.114 20 30 CGEDMO C=Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CCC(=C)C)cc1 ZINC001028157193 800833769 /nfs/dbraw/zinc/83/37/69/800833769.db2.gz ZXDGZQBSFKNLBO-GOSISDBHSA-N 1 1 298.430 3.490 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1csc(Cl)c1 ZINC001028181545 800835882 /nfs/dbraw/zinc/83/58/82/800835882.db2.gz VSYCHHGNJYPREK-LBPRGKRZSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(CC)cc1 ZINC001028295678 800839483 /nfs/dbraw/zinc/83/94/83/800839483.db2.gz LDWOUYSGXWQVQY-KRWDZBQOSA-N 1 1 286.419 3.019 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)C ZINC001029456616 800868767 /nfs/dbraw/zinc/86/87/67/800868767.db2.gz JASOYZGTZNAEQB-SOLBZPMBSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](F)CC ZINC001029454014 800869225 /nfs/dbraw/zinc/86/92/25/800869225.db2.gz PRQUHAAWTMMFMU-PNBKFKSVSA-N 1 1 296.430 3.012 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](F)CC ZINC001029454014 800869233 /nfs/dbraw/zinc/86/92/33/800869233.db2.gz PRQUHAAWTMMFMU-PNBKFKSVSA-N 1 1 296.430 3.012 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)c2cc3c(cccc3C)o2)C1 ZINC001031458152 800911849 /nfs/dbraw/zinc/91/18/49/800911849.db2.gz PHJYXNFSADOKQO-UHFFFAOYSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(CC)CCCC1 ZINC001032709800 800934478 /nfs/dbraw/zinc/93/44/78/800934478.db2.gz LAXNXBUASFRJSP-HOTGVXAUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc([C@H](C)CC)cc1 ZINC001032805202 800936995 /nfs/dbraw/zinc/93/69/95/800936995.db2.gz BHAOQQYWBNXANR-JLSDUUJJSA-N 1 1 298.430 3.285 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc([C@H](C)CC)cc1 ZINC001032805202 800937000 /nfs/dbraw/zinc/93/70/00/800937000.db2.gz BHAOQQYWBNXANR-JLSDUUJJSA-N 1 1 298.430 3.285 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccoc2Cl)C1 ZINC001033041105 800950953 /nfs/dbraw/zinc/95/09/53/800950953.db2.gz WSOPUMBGEQKLNC-GFCCVEGCSA-N 1 1 296.798 3.046 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001033076061 800951676 /nfs/dbraw/zinc/95/16/76/800951676.db2.gz KYFRGTLZNRPTCP-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C2(C3CC3)CCC2)C1 ZINC001033300056 800956999 /nfs/dbraw/zinc/95/69/99/800956999.db2.gz HWJPZWZDPPQAIZ-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C1CCC(C(=O)N(C)[C@H]2CC[N@H+](C[C@H](F)CC)C2)CC1 ZINC001033389585 800962660 /nfs/dbraw/zinc/96/26/60/800962660.db2.gz RETDPHCPSUFGAF-CVEARBPZSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)C2CCC=CCC2)C1 ZINC001033673163 800973799 /nfs/dbraw/zinc/97/37/99/800973799.db2.gz CUPCMDXYQFAMRG-QGZVFWFLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@]2(C)CCC(C)=C(C)C2)C1 ZINC001033698495 800974899 /nfs/dbraw/zinc/97/48/99/800974899.db2.gz SLQRCYYSFHDKFS-WMZOPIPTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CCCCC2(C)C)C1 ZINC001033710846 800976996 /nfs/dbraw/zinc/97/69/96/800976996.db2.gz KEGAYUUHDCMSFU-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(C)sc2C)C1 ZINC001033891705 800988003 /nfs/dbraw/zinc/98/80/03/800988003.db2.gz FTUUCULNYZIVNE-CQSZACIVSA-N 1 1 292.448 3.087 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001034021022 800994243 /nfs/dbraw/zinc/99/42/43/800994243.db2.gz REVZEWRBYFWPAA-ULQDDVLXSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+]1CC[C@H](N(CC)C(=O)c2ccc(Cl)s2)C1 ZINC001034032167 800995432 /nfs/dbraw/zinc/99/54/32/800995432.db2.gz MVVYRUUBPQLUBY-NSHDSACASA-N 1 1 298.839 3.124 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(Cl)s2)C1 ZINC001034032167 800995439 /nfs/dbraw/zinc/99/54/39/800995439.db2.gz MVVYRUUBPQLUBY-NSHDSACASA-N 1 1 298.839 3.124 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001034051176 800997148 /nfs/dbraw/zinc/99/71/48/800997148.db2.gz TXTNZTXCLFUVNC-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2ccc(C)s2)C1 ZINC001034077855 801000093 /nfs/dbraw/zinc/00/00/93/801000093.db2.gz IJGCOEHHVQRGDJ-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2oc(C)cc2C)C1 ZINC001034150625 801007604 /nfs/dbraw/zinc/00/76/04/801007604.db2.gz JJBGSSDNRYWDHR-HNNXBMFYSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001034205304 801011439 /nfs/dbraw/zinc/01/14/39/801011439.db2.gz VGHYPGOJDGHCCA-HOTGVXAUSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2occc2Cl)C1 ZINC001034380400 801023512 /nfs/dbraw/zinc/02/35/12/801023512.db2.gz IRBORPRZXVZVSP-LBPRGKRZSA-N 1 1 296.798 3.093 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(CC)cc2)C1 ZINC001034513511 801030326 /nfs/dbraw/zinc/03/03/26/801030326.db2.gz ATKYUZGVOCQUEY-QGZVFWFLSA-N 1 1 286.419 3.019 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001034543886 801031987 /nfs/dbraw/zinc/03/19/87/801031987.db2.gz BRWWJFDSWKXJAR-UYSNPLJNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CCC2(C1)CCN(C(=O)C1(CC)CCC1)CC2 ZINC001035214956 801056337 /nfs/dbraw/zinc/05/63/37/801056337.db2.gz ARORFGPOCYNALQ-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@@H+]1CCC2(C1)CCN(C(=O)c1ccc(C)cc1)CC2 ZINC001035252321 801057454 /nfs/dbraw/zinc/05/74/54/801057454.db2.gz PCWQKUQNOQXIQI-UHFFFAOYSA-N 1 1 298.430 3.109 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3(CC)CCC3)CC[C@@H]21 ZINC001036794963 801090753 /nfs/dbraw/zinc/09/07/53/801090753.db2.gz FMXOTWAFSKNRLK-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)CC)CC[C@H]21 ZINC001036804089 801091533 /nfs/dbraw/zinc/09/15/33/801091533.db2.gz DMZCPBXGGTZNOD-UONOGXRCSA-N 1 1 298.858 3.098 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C)cc(C)c3)CC[C@@H]21 ZINC001036878727 801092453 /nfs/dbraw/zinc/09/24/53/801092453.db2.gz AZSLKQOUHSYTSR-AEFFLSMTSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)C1=CCCCCC1 ZINC001038189130 801119613 /nfs/dbraw/zinc/11/96/13/801119613.db2.gz CUNNZPSNDCIJQF-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001038287292 801122438 /nfs/dbraw/zinc/12/24/38/801122438.db2.gz KOZMESYZENUMOP-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(CCC)s1 ZINC001038298803 801124956 /nfs/dbraw/zinc/12/49/56/801124956.db2.gz ZJFPHOWUBIDWQU-ZDUSSCGKSA-N 1 1 292.448 3.081 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1cccc(C2CCC2)c1 ZINC001038913946 801135696 /nfs/dbraw/zinc/13/56/96/801135696.db2.gz NOWRRCWEGPUGRA-GOSISDBHSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC([C@@H]2CC[N@H+](CC)C2)CC1 ZINC001039153713 801150756 /nfs/dbraw/zinc/15/07/56/801150756.db2.gz FYQJOSGIYZZPSK-SJLPKXTDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CCCCCC1 ZINC001039346089 801159405 /nfs/dbraw/zinc/15/94/05/801159405.db2.gz XXTQBSVINVEFSR-SJORKVTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C(C)(C)C ZINC001039393623 801160548 /nfs/dbraw/zinc/16/05/48/801160548.db2.gz DGXKJIUWVUTXAU-OAGGEKHMSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C3(CC)CCC3)C2)C1 ZINC001040342801 801177523 /nfs/dbraw/zinc/17/75/23/801177523.db2.gz CNIGYOZXJAALEV-QGZVFWFLSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(CCN(C(=O)C3CCCCCC3)C2)C1 ZINC001041129408 801186867 /nfs/dbraw/zinc/18/68/67/801186867.db2.gz ZRKCHLDJWUODTR-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C3CCCC3)C[C@@H]21 ZINC001041891980 801195739 /nfs/dbraw/zinc/19/57/39/801195739.db2.gz VLJNRYXMAAUMRJ-RDJZCZTQSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](CCC)[C@H]2C1 ZINC001042077979 801199797 /nfs/dbraw/zinc/19/97/97/801199797.db2.gz SIFIUUCRWPWAJO-KBPBESRZSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC001045545269 801279189 /nfs/dbraw/zinc/27/91/89/801279189.db2.gz XGASZWUFMREUIZ-ZIAGYGMSSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@H]2C(C)C)CC1 ZINC001045604279 801281531 /nfs/dbraw/zinc/28/15/31/801281531.db2.gz QOOJJWLDOKTTFY-UONOGXRCSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)/C(C)=C/C)C2 ZINC001045929713 801294772 /nfs/dbraw/zinc/29/47/72/801294772.db2.gz GLHBOQNFEJFANM-BDSVNUEJSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)c2sccc2C)C1 ZINC001046104670 801298420 /nfs/dbraw/zinc/29/84/20/801298420.db2.gz QJMJIEYMCWIRTH-INIZCTEOSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001046413920 801308840 /nfs/dbraw/zinc/30/88/40/801308840.db2.gz CZHJQROIVIDRDN-SJLPKXTDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)c2c(C)oc3ccccc32)C1 ZINC001046342730 801309794 /nfs/dbraw/zinc/30/97/94/801309794.db2.gz UWOMHHDTTKRDRZ-SFHVURJKSA-N 1 1 298.386 3.121 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)C2CCCCCCC2)C1 ZINC001046470332 801312268 /nfs/dbraw/zinc/31/22/68/801312268.db2.gz JNCCVBNQCOMKQB-KRWDZBQOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)C2CC3(CCC3)C2)C1 ZINC001046554120 801315127 /nfs/dbraw/zinc/31/51/27/801315127.db2.gz MBZHMFZFMCQHFQ-QGZVFWFLSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001046727090 801321272 /nfs/dbraw/zinc/32/12/72/801321272.db2.gz XQBWCSQALDDQJR-BQFCYCMXSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC23CCCC3)C1 ZINC001046755034 801324462 /nfs/dbraw/zinc/32/44/62/801324462.db2.gz VJSSERCIDYTHPH-WBVHZDCISA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)c2cc3ccccc3o2)C1 ZINC001046818072 801325565 /nfs/dbraw/zinc/32/55/65/801325565.db2.gz IDMSSEOQWKICGC-SFHVURJKSA-N 1 1 298.386 3.203 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)C2CCC(C)(C)CC2)C1 ZINC001046866984 801329693 /nfs/dbraw/zinc/32/96/93/801329693.db2.gz QIFJADFEPCSYMT-GOSISDBHSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001046861034 801330969 /nfs/dbraw/zinc/33/09/69/801330969.db2.gz RNSAXLCLCPDXBB-CRAIPNDOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(F)=C(C)C ZINC001049421722 801373517 /nfs/dbraw/zinc/37/35/17/801373517.db2.gz ZGHBWCDBEYAJII-CABCVRRESA-N 1 1 294.414 3.281 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)C(C)(C)C ZINC001049551200 801376180 /nfs/dbraw/zinc/37/61/80/801376180.db2.gz FSTKDRGUNRAYFL-BZUAXINKSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)C1CCC1 ZINC001049619911 801377154 /nfs/dbraw/zinc/37/71/54/801377154.db2.gz XTZJELHKBYSARL-CVEARBPZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)C(=C)C ZINC001049641058 801380385 /nfs/dbraw/zinc/38/03/85/801380385.db2.gz ZUCFHXYETSPHCG-JKSUJKDBSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)c1ccccc1 ZINC001049849264 801389286 /nfs/dbraw/zinc/38/92/86/801389286.db2.gz RTUKKKSPCSGMNL-CGTJXYLNSA-N 1 1 298.430 3.041 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)c1ccccc1 ZINC001049860285 801391056 /nfs/dbraw/zinc/39/10/56/801391056.db2.gz RTUKKKSPCSGMNL-KBAYOESNSA-N 1 1 298.430 3.041 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(CC)CC ZINC001049911243 801392293 /nfs/dbraw/zinc/39/22/93/801392293.db2.gz YGTBZSNKCSFJKD-HOTGVXAUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)CC3(C)CCCC3)[C@@H]2C1 ZINC001050040431 801398892 /nfs/dbraw/zinc/39/88/92/801398892.db2.gz NNXHBGYGSLLGRN-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C=C2CCCCC2)CC1 ZINC001052238356 801426482 /nfs/dbraw/zinc/42/64/82/801426482.db2.gz JDOHCBCYTKKYRZ-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C[C@H]1C[C@@H](NC2(C#N)CCC2)CC[N@H+]1Cc1ccccc1 ZINC001256521086 806909316 /nfs/dbraw/zinc/90/93/16/806909316.db2.gz ZHAQHLDKRWLVAZ-RDJZCZTQSA-N 1 1 283.419 3.075 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C2(C)CC(=C)C2)CC1 ZINC001052692526 801447297 /nfs/dbraw/zinc/44/72/97/801447297.db2.gz FURYNBUNUOOQHY-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)cccc2C)CC1 ZINC001052740532 801450901 /nfs/dbraw/zinc/45/09/01/801450901.db2.gz ZPNHAZQHVCVENS-MRXNPFEDSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC23CCC3)CC1 ZINC001052755978 801451551 /nfs/dbraw/zinc/45/15/51/801451551.db2.gz ZLBGMYUVACHLTC-CVEARBPZSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C2(F)CCCCC2)CC1 ZINC001052842791 801453356 /nfs/dbraw/zinc/45/33/56/801453356.db2.gz AWRYASREPZQOJP-OAHLLOKOSA-N 1 1 296.430 3.206 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C(C)C)cc2)CC1 ZINC001052891154 801455498 /nfs/dbraw/zinc/45/54/98/801455498.db2.gz LKPJIOKZAUKETP-SFHVURJKSA-N 1 1 298.430 3.028 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC)C2)C1 ZINC001052996592 801460359 /nfs/dbraw/zinc/46/03/59/801460359.db2.gz KHKYSXYPLUPQSF-SJORKVTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccoc2C(C)C)CC1 ZINC001052966668 801460614 /nfs/dbraw/zinc/46/06/14/801460614.db2.gz WICSCMLMDWEPIL-AWEZNQCLSA-N 1 1 290.407 3.173 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCC)C1 ZINC001053063762 801466104 /nfs/dbraw/zinc/46/61/04/801466104.db2.gz QPWAUAPEDOJTLT-IAGOWNOFSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC1(C)CC1)C2 ZINC001054165129 801475401 /nfs/dbraw/zinc/47/54/01/801475401.db2.gz AFXYERAOQWZADO-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@]2(CC[N@H+](C(C)C)C2)C1 ZINC001054192208 801477370 /nfs/dbraw/zinc/47/73/70/801477370.db2.gz RGWCSWJZRNIYHV-QZTJIDSGSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)C(C)C)C2 ZINC001054208033 801478686 /nfs/dbraw/zinc/47/86/86/801478686.db2.gz JPOCSQZWZLKUCP-WMZOPIPTSA-N 1 1 292.467 3.169 20 30 CGEDMO CCN(CCC#N)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256552220 806914309 /nfs/dbraw/zinc/91/43/09/806914309.db2.gz ZUNMYWAQDUSHEB-WMZOPIPTSA-N 1 1 285.435 3.275 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CC2CCC2)CC[C@H]1C ZINC001071398419 801534481 /nfs/dbraw/zinc/53/44/81/801534481.db2.gz DOWXCPIUOGBCMF-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C(F)=C2CCCC2)CC[C@@H]1C ZINC001071427555 801536431 /nfs/dbraw/zinc/53/64/31/801536431.db2.gz NBGCHRYJJVCGLG-DZGCQCFKSA-N 1 1 294.414 3.329 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C)c(C)o2)CC[C@H]1C ZINC001071434056 801536763 /nfs/dbraw/zinc/53/67/63/801536763.db2.gz ADUVJTMXLPNSEM-HIFRSBDPSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2cc(C)c(C)o2)CC[C@H]1C ZINC001071434057 801536897 /nfs/dbraw/zinc/53/68/97/801536897.db2.gz ADUVJTMXLPNSEM-UKRRQHHQSA-N 1 1 290.407 3.055 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C(C)=C2CCC2)CC[C@@H]1C ZINC001071500806 801540669 /nfs/dbraw/zinc/54/06/69/801540669.db2.gz CABDBJKNAQBAOV-YOEHRIQHSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2cscc2Cl)CC[C@@H]1C ZINC001071593670 801543294 /nfs/dbraw/zinc/54/32/94/801543294.db2.gz FJRCCLNHIUBTSU-WDEREUQCSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2ccc(CC)s2)CC[C@H]1C ZINC001071658360 801545493 /nfs/dbraw/zinc/54/54/93/801545493.db2.gz DUDVHKYOKVZYLK-OLZOCXBDSA-N 1 1 292.448 3.079 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CCC)C2)CC1 ZINC001071795378 801552674 /nfs/dbraw/zinc/55/26/74/801552674.db2.gz KFSHGMQZMLLUIH-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2coc3ccccc23)CC[C@H]1C ZINC001072119824 801565111 /nfs/dbraw/zinc/56/51/11/801565111.db2.gz KKGDIKGVKFEDJZ-KGLIPLIRSA-N 1 1 298.386 3.202 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)c2ccoc2C(C)C)CC[C@@H]1C ZINC001072103285 801566084 /nfs/dbraw/zinc/56/60/84/801566084.db2.gz WHHRSDFIKUBFPR-UONOGXRCSA-N 1 1 290.407 3.172 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC2(C1)CC[N@@H+](CC=C(C)C)C2 ZINC001072945233 801574373 /nfs/dbraw/zinc/57/43/73/801574373.db2.gz XDZZRQRPQOJSCO-QGZVFWFLSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C1CCC(C(=O)N2CC3(C2)CC[N@H+](CCCC)C3)CC1 ZINC001072946564 801575440 /nfs/dbraw/zinc/57/54/40/801575440.db2.gz LBIJEIVSJULHKP-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@H+]1CCC2(CN(C(=O)c3ccc(C)cc3)C2)C1 ZINC001073146420 801579258 /nfs/dbraw/zinc/57/92/58/801579258.db2.gz QFSOERKTARMEGR-UHFFFAOYSA-N 1 1 298.430 3.109 20 30 CGEDMO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)CC3CCCCC3)[C@@H]2C1 ZINC001075528886 801605173 /nfs/dbraw/zinc/60/51/73/801605173.db2.gz BJZNEZMLOUFDLL-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001079552169 801645216 /nfs/dbraw/zinc/64/52/16/801645216.db2.gz PYGGBKUOLUESBD-IAQYHMDHSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001079552169 801645219 /nfs/dbraw/zinc/64/52/19/801645219.db2.gz PYGGBKUOLUESBD-IAQYHMDHSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCCCC2(C)C)C1 ZINC001081056376 801659354 /nfs/dbraw/zinc/65/93/54/801659354.db2.gz ZJNJCZPNFUACDW-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001085604597 801695990 /nfs/dbraw/zinc/69/59/90/801695990.db2.gz MMIAQELZJZBEHR-HRCADAONSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1C(C)C ZINC001085630616 801697701 /nfs/dbraw/zinc/69/77/01/801697701.db2.gz ZLPPTTGQQSLXAC-OAHLLOKOSA-N 1 1 286.419 3.142 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1C(C)C ZINC001085630616 801697710 /nfs/dbraw/zinc/69/77/10/801697710.db2.gz ZLPPTTGQQSLXAC-OAHLLOKOSA-N 1 1 286.419 3.142 20 30 CGEDMO C=C1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CCC(C)C)CC1 ZINC001085801849 801705258 /nfs/dbraw/zinc/70/52/58/801705258.db2.gz DKVSQTDSWCOIMR-QGZVFWFLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001085892209 801709703 /nfs/dbraw/zinc/70/97/03/801709703.db2.gz SMIROAYBMVJNRP-ULQDDVLXSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001085892209 801709707 /nfs/dbraw/zinc/70/97/07/801709707.db2.gz SMIROAYBMVJNRP-ULQDDVLXSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C=C2CCCCC2)[C@H]1CC ZINC001087514953 801754156 /nfs/dbraw/zinc/75/41/56/801754156.db2.gz XNNUXVLDZVRHCY-DLBZAZTESA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2sccc2F)[C@H]1CC ZINC001087564244 801756202 /nfs/dbraw/zinc/75/62/02/801756202.db2.gz POSZBXATRWJZER-QWHCGFSZSA-N 1 1 296.411 3.046 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C23CCC(CC2)C3)[C@H]1CC ZINC001087625359 801759623 /nfs/dbraw/zinc/75/96/23/801759623.db2.gz DKJZXTYWLPFNLP-BNQMIIOLSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2(C)CCC2)[C@H]1CC ZINC001087688890 801762026 /nfs/dbraw/zinc/76/20/26/801762026.db2.gz AKCRZRRCXNUKAT-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2sccc2CC)[C@H]1CC ZINC001087839467 801769043 /nfs/dbraw/zinc/76/90/43/801769043.db2.gz CHXJFPAGYWAVQR-UONOGXRCSA-N 1 1 292.448 3.079 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C)[C@H]1C ZINC001088453116 801793799 /nfs/dbraw/zinc/79/37/99/801793799.db2.gz WNQMUPDGBMBSHZ-WBVHZDCISA-N 1 1 286.419 3.154 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)sc2C)[C@H]1C ZINC001088714612 801803126 /nfs/dbraw/zinc/80/31/26/801803126.db2.gz SBLOUMYBPOQWJF-DOMZBBRYSA-N 1 1 292.448 3.134 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2coc3c2cccc3C)[C@H]1C ZINC001088624340 801805466 /nfs/dbraw/zinc/80/54/66/801805466.db2.gz AIEPHCBWPUCWIO-CJNGLKHVSA-N 1 1 298.386 3.120 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2(C3CCC3)CCC2)[C@H]1C ZINC001088776274 801805632 /nfs/dbraw/zinc/80/56/32/801805632.db2.gz LMNMLJXZYBUUJQ-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)[C@H]1C ZINC001088739537 801806537 /nfs/dbraw/zinc/80/65/37/801806537.db2.gz XKOJEJDBNCEKTM-FPCVCCKLSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC2(C)C)[C@H]1C ZINC001088801869 801809052 /nfs/dbraw/zinc/80/90/52/801809052.db2.gz TYSUDQGEMHJXNT-PMPSAXMXSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cc3ccccc3o2)[C@H]1C ZINC001089021282 801818039 /nfs/dbraw/zinc/81/80/39/801818039.db2.gz FJEDBLDLDUKPGH-HIFRSBDPSA-N 1 1 298.386 3.202 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccoc2C(C)C)[C@H]1C ZINC001089069909 801821914 /nfs/dbraw/zinc/82/19/14/801821914.db2.gz FMZUXRDOCXLELH-HIFRSBDPSA-N 1 1 290.407 3.172 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC=CCC2)CC(C)(C)C1 ZINC001089313965 801832999 /nfs/dbraw/zinc/83/29/99/801832999.db2.gz ZISWIJCZDYBKLB-HOTGVXAUSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C(C)=C2CCC2)CC(C)(C)C1 ZINC001089385222 801838407 /nfs/dbraw/zinc/83/84/07/801838407.db2.gz ZGKLSEZAOGLGAW-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CC=CC1 ZINC001089624141 801847303 /nfs/dbraw/zinc/84/73/03/801847303.db2.gz VQFFMJXYXYAFIS-INIZCTEOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)C2CCCCC2)[C@H](C)C1 ZINC001092434488 801862608 /nfs/dbraw/zinc/86/26/08/801862608.db2.gz WUBJBYAXJNQKMP-IUODEOHRSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2CCC)[C@H](C)C1 ZINC001092947086 801865549 /nfs/dbraw/zinc/86/55/49/801865549.db2.gz GHHXWQPEKWVYSN-QBPKDAKJSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCCCCCC1)C2 ZINC001095738019 801885564 /nfs/dbraw/zinc/88/55/64/801885564.db2.gz SOAGPMLGWDOHEV-IKGGRYGDSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)cccc1C)C2 ZINC001096054902 801887312 /nfs/dbraw/zinc/88/73/12/801887312.db2.gz PWIMDBYWXQHRHI-IKGGRYGDSA-N 1 1 298.430 3.215 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C1CCCC1)C2 ZINC001096314248 801887624 /nfs/dbraw/zinc/88/76/24/801887624.db2.gz ZXHYBTJJZJHSCE-ORQFMDKSSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCC=CCC1)C2 ZINC001096562789 801891187 /nfs/dbraw/zinc/89/11/87/801891187.db2.gz QHDLLTPYODJYML-IKGGRYGDSA-N 1 1 288.435 3.030 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(F)=C1CCCC1)C2 ZINC001096948680 801897673 /nfs/dbraw/zinc/89/76/73/801897673.db2.gz FYTCTWWROQVYFS-KFWWJZLASA-N 1 1 292.398 3.082 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(C)cc(C)cc1C)C2 ZINC001098336789 801909516 /nfs/dbraw/zinc/90/95/16/801909516.db2.gz TYBMAZLERLJQOC-ZACQAIPSSA-N 1 1 298.430 3.133 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)/C(C)=C\CC ZINC001098944008 801922761 /nfs/dbraw/zinc/92/27/61/801922761.db2.gz HEPHMQJZQJXQSX-CKNOQMABSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)/C=C(\C)C1CC1 ZINC001098939757 801922845 /nfs/dbraw/zinc/92/28/45/801922845.db2.gz SVCIARDQAJLVDJ-WSYSLRRZSA-N 1 1 290.451 3.136 20 30 CGEDMO C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)CCCC ZINC001099048337 801925749 /nfs/dbraw/zinc/92/57/49/801925749.db2.gz FKFHWKSSGBVHFL-JKSUJKDBSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C/C=C(\C)C=C ZINC001099181521 801931865 /nfs/dbraw/zinc/93/18/65/801931865.db2.gz AOKSGDGYIQWMLU-WPBGYSLVSA-N 1 1 290.451 3.302 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC ZINC001099214941 801934956 /nfs/dbraw/zinc/93/49/56/801934956.db2.gz ODESJASMTDPEGA-PBHICJAKSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC1(C)CC1 ZINC001099291319 801936918 /nfs/dbraw/zinc/93/69/18/801936918.db2.gz HFJBXQVKTAXWBD-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC(=O)N1C[C@H]2C[N@H+](CC/C=C/CC)C[C@@]2(C)C1 ZINC001101167550 801973746 /nfs/dbraw/zinc/97/37/46/801973746.db2.gz JEVDBRGDRDWMGV-ACIWDAPJSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2C[N@H+](CCCC)C[C@@]2(C)C1 ZINC001101337982 801975508 /nfs/dbraw/zinc/97/55/08/801975508.db2.gz STRTTXHVDQFHHD-NUJGCVRESA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)/C=C(\C)CC)C[C@]2(C)C1 ZINC001101228336 801975727 /nfs/dbraw/zinc/97/57/27/801975727.db2.gz WIEUQGKWZSCTEC-NOLXFWGLSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CN(C(=O)CCC(C)(C)C)C[C@]2(C)C1 ZINC001101401036 801978230 /nfs/dbraw/zinc/97/82/30/801978230.db2.gz DOSLBFMTEACMFO-QAPCUYQASA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)CCC(C)(C)C)C[C@]2(C)C1 ZINC001101401194 801978322 /nfs/dbraw/zinc/97/83/22/801978322.db2.gz MEVJOPNUGVQGLB-QAPCUYQASA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@H](CC)CCCC)[C@H](C)C1 ZINC001101750985 801990319 /nfs/dbraw/zinc/99/03/19/801990319.db2.gz WSABKVMACFVOHE-BRWVUGGUSA-N 1 1 294.483 3.463 20 30 CGEDMO CC#CCCCC(=O)NC[C@@H]1C[N@@H+](CCCCC)C[C@H]1C ZINC001102255099 802003054 /nfs/dbraw/zinc/00/30/54/802003054.db2.gz UBKWZIXVTLTLEG-IAGOWNOFSA-N 1 1 292.467 3.054 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1C ZINC001102327439 802004905 /nfs/dbraw/zinc/00/49/05/802004905.db2.gz UHYPKXZNXQXFQL-MSYVOXANSA-N 1 1 298.858 3.025 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1C ZINC001102263049 802004958 /nfs/dbraw/zinc/00/49/58/802004958.db2.gz TVOFANXSUSQDJO-HLLBOEOZSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)CCC)[C@H](C)C1 ZINC001102301159 802005403 /nfs/dbraw/zinc/00/54/03/802005403.db2.gz RQKUPBVGTMDMDO-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)CC(C)C)[C@H](C)C1 ZINC001102503310 802010014 /nfs/dbraw/zinc/01/00/14/802010014.db2.gz RDYJIFHQOYGQCA-HZPDHXFCSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C(C)(C)C)[C@H](C)C1 ZINC001102526528 802010194 /nfs/dbraw/zinc/01/01/94/802010194.db2.gz FBZCSEYZFUCDLP-RBSFLKMASA-N 1 1 280.456 3.071 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H](CCC)CC(C)C)[C@H](C)C1 ZINC001102606370 802013214 /nfs/dbraw/zinc/01/32/14/802013214.db2.gz GXBMWHVVSAISBR-BRWVUGGUSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)CCC)C1 ZINC001102789636 802020041 /nfs/dbraw/zinc/02/00/41/802020041.db2.gz KAPUFMFDKQEGTF-GVDBMIGSSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)CCC(=O)NCC[C@@H]1C[N@@H+](CC(C)C)C[C@H]1C ZINC001103042954 802028150 /nfs/dbraw/zinc/02/81/50/802028150.db2.gz LJGSVUROQHHUQG-HZPDHXFCSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)/C(C)=C\CC)CCC[C@@H]12 ZINC001107311089 802085401 /nfs/dbraw/zinc/08/54/01/802085401.db2.gz AGTANJPDFFINGC-AYUBBMQVSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)/C(C)=C\C)CCC[C@@H]12 ZINC001107355250 802086063 /nfs/dbraw/zinc/08/60/63/802086063.db2.gz FRFMMHUOGWLPCJ-GTQBLLTISA-N 1 1 296.842 3.066 20 30 CGEDMO C=CCCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC)CC2 ZINC001107524185 802089730 /nfs/dbraw/zinc/08/97/30/802089730.db2.gz METSJFIOKLUQGX-NVXWUHKLSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(=C)C ZINC001109353573 802113967 /nfs/dbraw/zinc/11/39/67/802113967.db2.gz NYVYFWSSIFMZEP-PMPSAXMXSA-N 1 1 276.424 3.030 20 30 CGEDMO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1C)C2 ZINC001109600664 802116674 /nfs/dbraw/zinc/11/66/74/802116674.db2.gz GKEQLYQYKLXXDL-MTSZKFMLSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(=C)C ZINC001109657674 802120457 /nfs/dbraw/zinc/12/04/57/802120457.db2.gz ZTYONOUWTWETET-PMPSAXMXSA-N 1 1 276.424 3.030 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C/Cl ZINC001109634374 802121145 /nfs/dbraw/zinc/12/11/45/802121145.db2.gz KZLXVFZPINWFQY-CYOUOKLYSA-N 1 1 296.842 3.063 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C/C=C/Cl ZINC001109634374 802121151 /nfs/dbraw/zinc/12/11/51/802121151.db2.gz KZLXVFZPINWFQY-CYOUOKLYSA-N 1 1 296.842 3.063 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C1CC1)C2 ZINC001109629539 802121441 /nfs/dbraw/zinc/12/14/41/802121441.db2.gz KSJTWQPVBWKCMU-PMPSAXMXSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC/C=C/CC ZINC001109657463 802121582 /nfs/dbraw/zinc/12/15/82/802121582.db2.gz QIICHYUKZPTTSW-DXKQIRHGSA-N 1 1 290.451 3.421 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CCC)CCC1)C2 ZINC001109623555 802121661 /nfs/dbraw/zinc/12/16/61/802121661.db2.gz BKLVCGMBIBSXDC-PMPSAXMXSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1 ZINC001109679229 802123019 /nfs/dbraw/zinc/12/30/19/802123019.db2.gz UUDDYZBKBQBRGR-MUQADHOPSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(C)C ZINC001109767874 802125830 /nfs/dbraw/zinc/12/58/30/802125830.db2.gz OPAKNKFVRCQWEL-PMPSAXMXSA-N 1 1 290.451 3.276 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)CC(C)C)C2 ZINC001109964155 802129017 /nfs/dbraw/zinc/12/90/17/802129017.db2.gz CHBUCJUWZMQAFI-YVSFHVDLSA-N 1 1 292.467 3.356 20 30 CGEDMO CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC)C2 ZINC001110240543 802134449 /nfs/dbraw/zinc/13/44/49/802134449.db2.gz YPNPHCLWEHPTHF-OAGGEKHMSA-N 1 1 280.456 3.478 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1=CCCC1)C2 ZINC001110440248 802142317 /nfs/dbraw/zinc/14/23/17/802142317.db2.gz JJHPWHRLLAVNQW-SVGFKBNWSA-N 1 1 288.435 3.173 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C(C)C)CC1)C2 ZINC001111007038 802152909 /nfs/dbraw/zinc/15/29/09/802152909.db2.gz VXDXEYHHJDLRTJ-OAGGEKHMSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)CCC(C)(C)C)C2 ZINC001111280407 802158750 /nfs/dbraw/zinc/15/87/50/802158750.db2.gz WYKAPYSVZJQWGV-FPCVCCKLSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCC(C)(C)C)C2 ZINC001111650180 802164774 /nfs/dbraw/zinc/16/47/74/802164774.db2.gz INDLKEQFNJZBFP-YJBOKZPZSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCCCCC[NH+]1CCN(C(=O)[C@H](F)C(C)C)CC1 ZINC001113215412 802204184 /nfs/dbraw/zinc/20/41/84/802204184.db2.gz PVNCBYPETJOXMM-OAHLLOKOSA-N 1 1 286.435 3.095 20 30 CGEDMO C=CCC[NH+]1CCN(C(=O)[C@H](F)CCCCCC)CC1 ZINC001113536677 802228146 /nfs/dbraw/zinc/22/81/46/802228146.db2.gz YYLFIMUJXUZFBV-OAHLLOKOSA-N 1 1 284.419 3.015 20 30 CGEDMO C=C(C)[C@@H](NCc1cc(C)[nH]n1)c1ccc(F)c(F)c1 ZINC001116672858 802394250 /nfs/dbraw/zinc/39/42/50/802394250.db2.gz KENJGJALUPZMOW-OAHLLOKOSA-N 1 1 277.318 3.403 20 30 CGEDMO C=C(C)[C@@H]([NH2+]Cc1cc(C)n[nH]1)c1ccc(F)c(F)c1 ZINC001116672858 802394259 /nfs/dbraw/zinc/39/42/59/802394259.db2.gz KENJGJALUPZMOW-OAHLLOKOSA-N 1 1 277.318 3.403 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCCN(c2ccc(F)cc2)CC1 ZINC001172501475 808357688 /nfs/dbraw/zinc/35/76/88/808357688.db2.gz DCQXLWDFGGRKNS-OAHLLOKOSA-N 1 1 289.398 3.420 20 30 CGEDMO Cc1cc(OCc2ccc(Cl)cc2C#N)cc[nH+]1 ZINC001117668381 802475360 /nfs/dbraw/zinc/47/53/60/802475360.db2.gz CVDZWHZGMHPBMK-UHFFFAOYSA-N 1 1 258.708 3.494 20 30 CGEDMO C=CC(C)(C)C(=O)N(C)CCC[N@H+](C)CCC(C)C ZINC001280848169 809201110 /nfs/dbraw/zinc/20/11/10/809201110.db2.gz JKKDQHKZJOBPJU-UHFFFAOYSA-N 1 1 268.445 3.025 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2Cc3ccccc3C3(CCC3)C2)n1 ZINC001119301298 802644327 /nfs/dbraw/zinc/64/43/27/802644327.db2.gz AOBZJCDEDSRFMY-UHFFFAOYSA-N 1 1 289.382 3.391 20 30 CGEDMO N#Cc1cccc(C[N@H+]2Cc3ccccc3C3(CCC3)C2)n1 ZINC001119301298 802644329 /nfs/dbraw/zinc/64/43/29/802644329.db2.gz AOBZJCDEDSRFMY-UHFFFAOYSA-N 1 1 289.382 3.391 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC001119308514 802646951 /nfs/dbraw/zinc/64/69/51/802646951.db2.gz OXOGDRDZQPIBMO-KGLIPLIRSA-N 1 1 262.401 3.003 20 30 CGEDMO CC1(C[N@@H+]2CCC[C@@](C#N)(c3ccccn3)C2)CCC1 ZINC001119710658 802694734 /nfs/dbraw/zinc/69/47/34/802694734.db2.gz GDLOSLYAAZOVGD-KRWDZBQOSA-N 1 1 269.392 3.129 20 30 CGEDMO CC1(C[N@H+]2CCC[C@@](C#N)(c3ccccn3)C2)CCC1 ZINC001119710658 802694735 /nfs/dbraw/zinc/69/47/35/802694735.db2.gz GDLOSLYAAZOVGD-KRWDZBQOSA-N 1 1 269.392 3.129 20 30 CGEDMO COC[C@@H]1CCCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001119819599 802700807 /nfs/dbraw/zinc/70/08/07/802700807.db2.gz QOEORRVRFUDPJJ-CYBMUJFWSA-N 1 1 292.810 3.460 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CCCC)C1 ZINC001120348356 802740636 /nfs/dbraw/zinc/74/06/36/802740636.db2.gz ULFOJAGEJVCCOE-SJORKVTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]([C@H]2CCC[N@H+]2CCF)C1 ZINC001120393491 802743216 /nfs/dbraw/zinc/74/32/16/802743216.db2.gz VPYKSDCSOKLDFM-JKSUJKDBSA-N 1 1 296.430 3.015 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC001120467799 802745646 /nfs/dbraw/zinc/74/56/46/802745646.db2.gz MLOXTAJIOBEMKF-KRWDZBQOSA-N 1 1 296.418 3.210 20 30 CGEDMO N#Cc1cc(Cl)nc(NC[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC001120868555 802788788 /nfs/dbraw/zinc/78/87/88/802788788.db2.gz ZNQPEFYXZUEOJH-ZDUSSCGKSA-N 1 1 290.798 3.035 20 30 CGEDMO COc1ccc(-c2ccc3c(c2)C[N@H+](C)CC3)c(C#N)c1 ZINC001243732532 802971684 /nfs/dbraw/zinc/97/16/84/802971684.db2.gz VLDQCWYVAXYYIR-UHFFFAOYSA-N 1 1 278.355 3.222 20 30 CGEDMO C=CC1(CC(=O)N2CC[N@H+](C)C[C@H]2CC)CCCCC1 ZINC001129307107 803226887 /nfs/dbraw/zinc/22/68/87/803226887.db2.gz NIDJGJJQXUCXEX-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)F)CC[C@@H]1C ZINC001131742793 803340209 /nfs/dbraw/zinc/34/02/09/803340209.db2.gz HOSDSCAHWTXCNZ-GJZGRUSLSA-N 1 1 298.446 3.450 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)C(CC)CC)CC[C@H]1C ZINC001131838259 803349423 /nfs/dbraw/zinc/34/94/23/803349423.db2.gz HKEQYNRFEXNDCP-ZBFHGGJFSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)C(F)=C(C)C)CC[C@@H]1C ZINC001131968842 803363285 /nfs/dbraw/zinc/36/32/85/803363285.db2.gz SLEKAPXKKKRUBI-UONOGXRCSA-N 1 1 282.403 3.185 20 30 CGEDMO CC(C)CC[N@H+]1C[C@H](NC(=O)C#CC(C)(C)C)CC[C@H]1C ZINC001132039430 803368103 /nfs/dbraw/zinc/36/81/03/803368103.db2.gz YVQKWKVVJIAJMB-HZPDHXFCSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](CC2CC2)C1 ZINC001132057225 803369348 /nfs/dbraw/zinc/36/93/48/803369348.db2.gz LLBVNMPHWMCMKA-PBHICJAKSA-N 1 1 290.451 3.134 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](NC(=O)CC(C)(C)CC)CC[C@@H]1C ZINC001132064035 803371019 /nfs/dbraw/zinc/37/10/19/803371019.db2.gz CXCYMXNMDNMUCI-GJZGRUSLSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCCC)C1 ZINC001132061736 803371299 /nfs/dbraw/zinc/37/12/99/803371299.db2.gz YDSGLNJNDZYQLQ-HUUCEWRRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)C(C)(C)C(C)C)CC[C@@H]1C ZINC001132065465 803371748 /nfs/dbraw/zinc/37/17/48/803371748.db2.gz USDLVRKSXYUBTC-LSDHHAIUSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](NC(=O)CC(C)(C)CC)CC[C@H]1C ZINC001132064034 803371815 /nfs/dbraw/zinc/37/18/15/803371815.db2.gz CXCYMXNMDNMUCI-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CC2CC2)C1 ZINC001132079272 803372740 /nfs/dbraw/zinc/37/27/40/803372740.db2.gz WFNDHDANMZUNCB-SMDDNHRTSA-N 1 1 298.858 3.144 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCC2CC2)C1 ZINC001132073993 803373047 /nfs/dbraw/zinc/37/30/47/803373047.db2.gz ZMOXKSNEFZLPJZ-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)CC=C)CC[C@H]1C ZINC001132330075 803396096 /nfs/dbraw/zinc/39/60/96/803396096.db2.gz AODODMGVZMZIFK-CABCVRRESA-N 1 1 278.440 3.134 20 30 CGEDMO CC#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)CC(C)C)CC[C@H]1C ZINC001132416835 803402262 /nfs/dbraw/zinc/40/22/62/803402262.db2.gz NGTFVEQGSQOSPG-CVEARBPZSA-N 1 1 292.467 3.051 20 30 CGEDMO C[N@H+]1CCc2ccc(-c3cccc(C#N)c3F)cc2C1 ZINC001245072889 803632286 /nfs/dbraw/zinc/63/22/86/803632286.db2.gz VYOSCTGTGOOOKK-UHFFFAOYSA-N 1 1 266.319 3.352 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@@H+](Cc1ccc3c(c1)COC3)CC2 ZINC001137023469 803672334 /nfs/dbraw/zinc/67/23/34/803672334.db2.gz QICYBYXQIFYRLV-UHFFFAOYSA-N 1 1 290.366 3.147 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@H+](Cc1ccc3c(c1)COC3)CC2 ZINC001137023469 803672335 /nfs/dbraw/zinc/67/23/35/803672335.db2.gz QICYBYXQIFYRLV-UHFFFAOYSA-N 1 1 290.366 3.147 20 30 CGEDMO COc1ccc(C[N@@H+]2CC[C@@H](C)C(F)(F)CC2)c(C#N)c1 ZINC001137699420 803759953 /nfs/dbraw/zinc/75/99/53/803759953.db2.gz HOKDMNOXITUFKS-GFCCVEGCSA-N 1 1 294.345 3.434 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@@H](C)C(F)(F)CC2)c(C#N)c1 ZINC001137699420 803759959 /nfs/dbraw/zinc/75/99/59/803759959.db2.gz HOKDMNOXITUFKS-GFCCVEGCSA-N 1 1 294.345 3.434 20 30 CGEDMO C#CC1CC[NH+](Cc2cccc(F)c2Br)CC1 ZINC001137722377 803766327 /nfs/dbraw/zinc/76/63/27/803766327.db2.gz LRJNTLCDHFCSQG-UHFFFAOYSA-N 1 1 296.183 3.433 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cccnc1NC(=O)C(C)(C)C ZINC001138546620 803963059 /nfs/dbraw/zinc/96/30/59/803963059.db2.gz UBEQTYYWIONSGO-UHFFFAOYSA-N 1 1 289.423 3.464 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2C[C@H](C)CC23CC3)cc1 ZINC001138560480 803968684 /nfs/dbraw/zinc/96/86/84/803968684.db2.gz XDDXLKUJPRCSBV-CQSZACIVSA-N 1 1 255.361 3.073 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cccc(Oc3ncccn3)c2)C1 ZINC001138619571 803983228 /nfs/dbraw/zinc/98/32/28/803983228.db2.gz BWRJPSKOCQYVHN-HNNXBMFYSA-N 1 1 293.370 3.114 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CC3CCC2CC3)c1O ZINC001138627611 803984698 /nfs/dbraw/zinc/98/46/98/803984698.db2.gz BXXSBWATKCAOCF-UHFFFAOYSA-N 1 1 257.377 3.495 20 30 CGEDMO CCCn1ncc(C[N@@H+]2CCc3cc(C#N)ccc3C2)c1C ZINC001138636939 803987360 /nfs/dbraw/zinc/98/73/60/803987360.db2.gz KTXBPFAACSIOMO-UHFFFAOYSA-N 1 1 294.402 3.032 20 30 CGEDMO CCCn1ncc(C[N@H+]2CCc3cc(C#N)ccc3C2)c1C ZINC001138636939 803987367 /nfs/dbraw/zinc/98/73/67/803987367.db2.gz KTXBPFAACSIOMO-UHFFFAOYSA-N 1 1 294.402 3.032 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC001138662354 803996664 /nfs/dbraw/zinc/99/66/64/803996664.db2.gz VTBFPPRDGSFZHV-SFHVURJKSA-N 1 1 287.403 3.254 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CCC[C@H]1C(C)(C)O ZINC001138665309 803997295 /nfs/dbraw/zinc/99/72/95/803997295.db2.gz MFOUFNGDCQIRCP-KRWDZBQOSA-N 1 1 289.419 3.377 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cnc2ccccc2n1 ZINC001138867630 804062142 /nfs/dbraw/zinc/06/21/42/804062142.db2.gz NPXBZWFERSEMEH-UHFFFAOYSA-N 1 1 255.365 3.418 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+]1C[C@H](C)CC[C@H]1CN ZINC001246019431 804099736 /nfs/dbraw/zinc/09/97/36/804099736.db2.gz HIAFDHKJWFFKSY-IKGGRYGDSA-N 1 1 284.488 3.157 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1C[C@H](C)CC[C@H]1CN ZINC001246019431 804099746 /nfs/dbraw/zinc/09/97/46/804099746.db2.gz HIAFDHKJWFFKSY-IKGGRYGDSA-N 1 1 284.488 3.157 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CCN[C@@H](CC(C)C)C1 ZINC001246054574 804104907 /nfs/dbraw/zinc/10/49/07/804104907.db2.gz JWZKPGKHGPSDCZ-ROUUACIJSA-N 1 1 296.499 3.194 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCN[C@@H](CC(C)C)C1 ZINC001246054574 804104912 /nfs/dbraw/zinc/10/49/12/804104912.db2.gz JWZKPGKHGPSDCZ-ROUUACIJSA-N 1 1 296.499 3.194 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccccc2OCCC)C1 ZINC001139001354 804105002 /nfs/dbraw/zinc/10/50/02/804105002.db2.gz DBBWKFXMYNTPGG-OAHLLOKOSA-N 1 1 257.377 3.321 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@](C)(O)[C@@H](C)C1 ZINC001139028754 804112319 /nfs/dbraw/zinc/11/23/19/804112319.db2.gz BBVKWLCOHDGUPQ-YJBOKZPZSA-N 1 1 289.419 3.234 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1ncc(Br)cc1OC ZINC001139088749 804124713 /nfs/dbraw/zinc/12/47/13/804124713.db2.gz RGZHFFWLSATQRD-UHFFFAOYSA-N 1 1 299.212 3.251 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ncc(Br)cc1OC ZINC001139088749 804124717 /nfs/dbraw/zinc/12/47/17/804124717.db2.gz RGZHFFWLSATQRD-UHFFFAOYSA-N 1 1 299.212 3.251 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@@H](OCCC)C1 ZINC001139029885 804114646 /nfs/dbraw/zinc/11/46/46/804114646.db2.gz UNUGKORVYLOFOD-MRXNPFEDSA-N 1 1 275.392 3.252 20 30 CGEDMO CCn1ccc2ccc(C[N@@H+]3CC[C@@](C)(C#N)C3)cc21 ZINC001139120627 804131817 /nfs/dbraw/zinc/13/18/17/804131817.db2.gz XYAAWILVUHMHIT-KRWDZBQOSA-N 1 1 267.376 3.397 20 30 CGEDMO CCn1ccc2ccc(C[N@H+]3CC[C@@](C)(C#N)C3)cc21 ZINC001139120627 804131821 /nfs/dbraw/zinc/13/18/21/804131821.db2.gz XYAAWILVUHMHIT-KRWDZBQOSA-N 1 1 267.376 3.397 20 30 CGEDMO CCCCCCCC[C@H](CCC)[NH2+][C@H]1CN[C@H](CO)C1 ZINC001246213504 804209942 /nfs/dbraw/zinc/20/99/42/804209942.db2.gz QTJHHDPNBZZPCX-BBWFWOEESA-N 1 1 284.488 3.218 20 30 CGEDMO C=CC[N@@H+](Cc1cn2c(cccc2F)n1)C(C)(C)C ZINC001139572077 804213062 /nfs/dbraw/zinc/21/30/62/804213062.db2.gz LOVWLXWCPRVKCS-UHFFFAOYSA-N 1 1 261.344 3.260 20 30 CGEDMO CCCCCCC[C@H](CC(C)C)[NH2+][C@@H]1CCNC[C@@H]1O ZINC001246218887 804213576 /nfs/dbraw/zinc/21/35/76/804213576.db2.gz VOCMUWBPAQIYIY-ZACQAIPSSA-N 1 1 284.488 3.074 20 30 CGEDMO Cc1cnc(Cl)c(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1 ZINC001139595054 804217308 /nfs/dbraw/zinc/21/73/08/804217308.db2.gz HYLRHDZZUZMUTF-DEZZGGKRSA-N 1 1 275.783 3.310 20 30 CGEDMO Cc1cnc(Cl)c(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1 ZINC001139595054 804217318 /nfs/dbraw/zinc/21/73/18/804217318.db2.gz HYLRHDZZUZMUTF-DEZZGGKRSA-N 1 1 275.783 3.310 20 30 CGEDMO CCCCCCCC[C@H](CC)[NH2+][C@H]1CNC[C@@H]1OC ZINC001246240856 804232305 /nfs/dbraw/zinc/23/23/05/804232305.db2.gz RPRUQMKMQIVCQI-JYJNAYRXSA-N 1 1 270.461 3.092 20 30 CGEDMO CC(C)[N@@H+](CCCCCO)Cc1cc(C#N)ccc1F ZINC001139650042 804243520 /nfs/dbraw/zinc/24/35/20/804243520.db2.gz PYGQQWODDGBXFI-UHFFFAOYSA-N 1 1 278.371 3.070 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2C#N)CCC[C@@]1(C)O ZINC001139687598 804254731 /nfs/dbraw/zinc/25/47/31/804254731.db2.gz UBZVINCZSGBBLF-MLGOLLRUSA-N 1 1 292.810 3.195 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2c[nH]c3c2cccc3C#N)CCC[C@@]1(C)O ZINC001139701610 804257494 /nfs/dbraw/zinc/25/74/94/804257494.db2.gz MEFGYLDISAXMGR-SCLBCKFNSA-N 1 1 297.402 3.022 20 30 CGEDMO N#Cc1cccc2c(C[N@@H+]3CCC[C@H](F)CC3)c[nH]c21 ZINC001139701391 804258726 /nfs/dbraw/zinc/25/87/26/804258726.db2.gz GXWSWRWGFHYHPF-AWEZNQCLSA-N 1 1 271.339 3.364 20 30 CGEDMO N#Cc1cccc2c(C[N@@H+]3CCc4occc4C3)c[nH]c21 ZINC001139706031 804259998 /nfs/dbraw/zinc/25/99/98/804259998.db2.gz ISIDQJGVKIIWNR-UHFFFAOYSA-N 1 1 277.327 3.191 20 30 CGEDMO N#Cc1cccc2c(C[N@H+]3CCc4occc4C3)c[nH]c21 ZINC001139706031 804260007 /nfs/dbraw/zinc/26/00/07/804260007.db2.gz ISIDQJGVKIIWNR-UHFFFAOYSA-N 1 1 277.327 3.191 20 30 CGEDMO N#Cc1cccc2c(C[N@@H+]3CC[C@@]4(CC4(F)F)C3)c[nH]c21 ZINC001139703379 804261481 /nfs/dbraw/zinc/26/14/81/804261481.db2.gz PIHAXESBKOCFFE-OAHLLOKOSA-N 1 1 287.313 3.271 20 30 CGEDMO CCCCCCCC[C@H](CCC)[NH2+][C@@H]1CNC[C@@H]1CO ZINC001246307771 804271500 /nfs/dbraw/zinc/27/15/00/804271500.db2.gz NFPGKTMRCOVFDW-IXDOHACOSA-N 1 1 284.488 3.076 20 30 CGEDMO C=CCn1cc(C[N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)cn1 ZINC001139771333 804278418 /nfs/dbraw/zinc/27/84/18/804278418.db2.gz XJIAFHZRFJNUPG-IYBDPMFKSA-N 1 1 279.387 3.156 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OCC(=O)OC)cc1)C(C)(C)C ZINC001139779002 804279661 /nfs/dbraw/zinc/27/96/61/804279661.db2.gz PSNALVLYCLGKKA-UHFFFAOYSA-N 1 1 291.391 3.025 20 30 CGEDMO C=CCn1cc(C[N@H+](C)[C@H]2CCc3ccccc32)cn1 ZINC001139774380 804280593 /nfs/dbraw/zinc/28/05/93/804280593.db2.gz FBDVLJUXWBSYOO-KRWDZBQOSA-N 1 1 267.376 3.188 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2cc3ccccc3cn2)CC1 ZINC001139999035 804349127 /nfs/dbraw/zinc/34/91/27/804349127.db2.gz NSYGZMMMWMNTMH-AWEZNQCLSA-N 1 1 265.360 3.360 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1Cc1c[nH]c2ccc(C#N)cc12 ZINC001140110032 804378756 /nfs/dbraw/zinc/37/87/56/804378756.db2.gz ASRXUVFBHXTSML-GFCCVEGCSA-N 1 1 253.349 3.414 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)CCC[C@@]1(C)O ZINC001140110321 804380496 /nfs/dbraw/zinc/38/04/96/804380496.db2.gz IQLRLSFMEFINAQ-FZKQIMNGSA-N 1 1 297.402 3.022 20 30 CGEDMO CCO[C@@H]1CCC[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140113681 804381550 /nfs/dbraw/zinc/38/15/50/804381550.db2.gz BUFBCZFHNQMHIT-OAHLLOKOSA-N 1 1 283.375 3.040 20 30 CGEDMO C[C@@]1(F)CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC001140136078 804384837 /nfs/dbraw/zinc/38/48/37/804384837.db2.gz IORFAKHLCJQTFN-OAHLLOKOSA-N 1 1 264.319 3.411 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cnc(OC)c(Br)c1 ZINC001140164385 804390702 /nfs/dbraw/zinc/39/07/02/804390702.db2.gz IMYULBIYWOXYFL-UHFFFAOYSA-N 1 1 297.196 3.027 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](Cc2ccccc2-c2cccnc2)C1 ZINC001140318876 804410354 /nfs/dbraw/zinc/41/03/54/804410354.db2.gz OKKDJZQTSIVZNS-GOSISDBHSA-N 1 1 277.371 3.484 20 30 CGEDMO CC[N@H+](CCC#N)Cc1ccccc1-c1cccnc1 ZINC001140317040 804410742 /nfs/dbraw/zinc/41/07/42/804410742.db2.gz ADQYMUHCBVXOMI-UHFFFAOYSA-N 1 1 265.360 3.484 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1ccccc1-c1cccnc1 ZINC001140317040 804410743 /nfs/dbraw/zinc/41/07/43/804410743.db2.gz ADQYMUHCBVXOMI-UHFFFAOYSA-N 1 1 265.360 3.484 20 30 CGEDMO N#Cc1ccc(-c2csc(Nc3ccc[nH+]c3N)n2)s1 ZINC001212397822 815016880 /nfs/dbraw/zinc/01/68/80/815016880.db2.gz BAQBWUPWLKTNHQ-UHFFFAOYSA-N 1 1 299.384 3.464 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1ccc2n[nH]cc2c1 ZINC001140386836 804428721 /nfs/dbraw/zinc/42/87/21/804428721.db2.gz LAIVMXLOXMCXOR-UHFFFAOYSA-N 1 1 256.353 3.079 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1ccc2n[nH]cc2c1 ZINC001140386836 804428726 /nfs/dbraw/zinc/42/87/26/804428726.db2.gz LAIVMXLOXMCXOR-UHFFFAOYSA-N 1 1 256.353 3.079 20 30 CGEDMO CCCCCCC[C@H](CC(C)C)[N@H+]1CCNC[C@@H](O)C1 ZINC001246601805 804439270 /nfs/dbraw/zinc/43/92/70/804439270.db2.gz NLMYWYLTVKLMBI-IAGOWNOFSA-N 1 1 284.488 3.028 20 30 CGEDMO CCCCCCC[C@H](CC)N1CC2(C1)CC[NH2+]C2 ZINC001246614170 804449089 /nfs/dbraw/zinc/44/90/89/804449089.db2.gz MPJDAMNKLQLCNO-HNNXBMFYSA-N 1 1 252.446 3.421 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@@H]2NCCO[C@H]2C1 ZINC001246629298 804460867 /nfs/dbraw/zinc/46/08/67/804460867.db2.gz HZIAIHXVWFTDNX-ULQDDVLXSA-N 1 1 282.472 3.188 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2Cl)CCC[C@]1(C)O ZINC001140600355 804471341 /nfs/dbraw/zinc/47/13/41/804471341.db2.gz IQLRFNOXMIBYJQ-WBMJQRKESA-N 1 1 292.810 3.195 20 30 CGEDMO CCC[N@H+](Cc1cc(F)c(C#N)c(F)c1)CC1CC1 ZINC001140751393 804504354 /nfs/dbraw/zinc/50/43/54/804504354.db2.gz UYMMGKARLKVVRL-UHFFFAOYSA-N 1 1 264.319 3.458 20 30 CGEDMO N#Cc1c(F)cc(C[N@@H+](CC2CC2)C2CC2)cc1F ZINC001140756226 804506615 /nfs/dbraw/zinc/50/66/15/804506615.db2.gz IJNILHNPAOUUKG-UHFFFAOYSA-N 1 1 262.303 3.211 20 30 CGEDMO N#CCN(Cc1ccccc1)[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256920749 807011153 /nfs/dbraw/zinc/01/11/53/807011153.db2.gz QRDFEWPCUMSLBY-LJQANCHMSA-N 1 1 297.446 3.419 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CCNC[C@H]1c1ccccc1F ZINC001246800635 804521026 /nfs/dbraw/zinc/52/10/26/804521026.db2.gz ZRXMSVLCMQJSLV-CJNGLKHVSA-N 1 1 262.372 3.127 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCNC[C@H]1c1ccccc1F ZINC001246800635 804521029 /nfs/dbraw/zinc/52/10/29/804521029.db2.gz ZRXMSVLCMQJSLV-CJNGLKHVSA-N 1 1 262.372 3.127 20 30 CGEDMO C[C@]1(CF)CC[N@@H+](Cc2cccc(C#N)c2Cl)C1 ZINC001140808709 804525400 /nfs/dbraw/zinc/52/54/00/804525400.db2.gz YMKMKDBNAWJOSC-CQSZACIVSA-N 1 1 266.747 3.393 20 30 CGEDMO Cc1c[nH]c(C[N@@H+]2CCc3cc(C#N)ccc3C2)c1C ZINC001140858012 804535710 /nfs/dbraw/zinc/53/57/10/804535710.db2.gz FBQNIISBRWXLEP-UHFFFAOYSA-N 1 1 265.360 3.062 20 30 CGEDMO Cc1c[nH]c(C[N@H+]2CCc3cc(C#N)ccc3C2)c1C ZINC001140858012 804535714 /nfs/dbraw/zinc/53/57/14/804535714.db2.gz FBQNIISBRWXLEP-UHFFFAOYSA-N 1 1 265.360 3.062 20 30 CGEDMO N#Cc1ccc(C2CCC([N@H+]3CCNC4(CC4)C3)CC2)cc1 ZINC001246836374 804543842 /nfs/dbraw/zinc/54/38/42/804543842.db2.gz XZMLQCWVUFYUAF-UHFFFAOYSA-N 1 1 295.430 3.022 20 30 CGEDMO CCCC[NH+]1CCC([N@@H+](C)C2CCC(C#N)CC2)CC1 ZINC001256970704 807020934 /nfs/dbraw/zinc/02/09/34/807020934.db2.gz ATBPCWNBWUJZLN-UHFFFAOYSA-N 1 1 277.456 3.265 20 30 CGEDMO CCCCN1CCC([N@H+](C)C2CCC(C#N)CC2)CC1 ZINC001256970704 807020944 /nfs/dbraw/zinc/02/09/44/807020944.db2.gz ATBPCWNBWUJZLN-UHFFFAOYSA-N 1 1 277.456 3.265 20 30 CGEDMO CCCCN1CCC([N@@H+](C)C2CCC(C#N)CC2)CC1 ZINC001256970704 807020953 /nfs/dbraw/zinc/02/09/53/807020953.db2.gz ATBPCWNBWUJZLN-UHFFFAOYSA-N 1 1 277.456 3.265 20 30 CGEDMO N#Cc1c(N)sc(C[NH+]2CC3(C2)CCCC3)c1Cl ZINC001141107443 804591637 /nfs/dbraw/zinc/59/16/37/804591637.db2.gz XLDWTRVBWPHYSW-UHFFFAOYSA-N 1 1 281.812 3.231 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2sc(N)c(C#N)c2Cl)C2(CC2)C1 ZINC001141112651 804592229 /nfs/dbraw/zinc/59/22/29/804592229.db2.gz IBAGMDSHWWGVTC-MRVPVSSYSA-N 1 1 281.812 3.230 20 30 CGEDMO N#Cc1ccc(CC2CC[NH+](Cc3cocn3)CC2)cc1 ZINC001141129489 804594343 /nfs/dbraw/zinc/59/43/43/804594343.db2.gz KTJJGDQLSAFTAP-UHFFFAOYSA-N 1 1 281.359 3.001 20 30 CGEDMO C[C@]1(F)CCC[N@H+](Cc2ccc(F)cc2C#N)CC1 ZINC001141164301 804601496 /nfs/dbraw/zinc/60/14/96/804601496.db2.gz WBIHAJWNYCHISM-HNNXBMFYSA-N 1 1 264.319 3.411 20 30 CGEDMO C[C@]1(F)CCC[N@@H+](Cc2ccc(F)cc2C#N)CC1 ZINC001141164301 804601498 /nfs/dbraw/zinc/60/14/98/804601498.db2.gz WBIHAJWNYCHISM-HNNXBMFYSA-N 1 1 264.319 3.411 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001141166324 804603089 /nfs/dbraw/zinc/60/30/89/804603089.db2.gz FZILAZQDWZHMFT-GOSISDBHSA-N 1 1 295.361 3.299 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(-c3ncccn3)cc2)C1 ZINC001141189532 804606426 /nfs/dbraw/zinc/60/64/26/804606426.db2.gz VITQNEZPWSMMFH-HNNXBMFYSA-N 1 1 292.386 3.269 20 30 CGEDMO CCCCCCCCCC[N@@H+](C)[C@H]1CCNC(=O)C1 ZINC001246940995 804610345 /nfs/dbraw/zinc/61/03/45/804610345.db2.gz XOPYJQRQYWJIMT-HNNXBMFYSA-N 1 1 268.445 3.338 20 30 CGEDMO CCCCCCC[N@@H+](CC)Cc1cn2c(n1)COCC2 ZINC001141532946 804650809 /nfs/dbraw/zinc/65/08/09/804650809.db2.gz JSNZKQLLSMSXRP-UHFFFAOYSA-N 1 1 279.428 3.206 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2cc3cccnc3cc2F)C1 ZINC001141628717 804658164 /nfs/dbraw/zinc/65/81/64/804658164.db2.gz GQXXHAGEJLCIEE-ZDUSSCGKSA-N 1 1 283.350 3.500 20 30 CGEDMO CCC(CC)[N@@H+](C)Cc1ccc(C#N)c(SC)n1 ZINC001141941251 804679960 /nfs/dbraw/zinc/67/99/60/804679960.db2.gz BCNGXYGGLQWUNN-UHFFFAOYSA-N 1 1 263.410 3.296 20 30 CGEDMO CSc1nc(C[N@@H+](C)C[C@@H]2CC2(C)C)ccc1C#N ZINC001141941492 804681046 /nfs/dbraw/zinc/68/10/46/804681046.db2.gz MAYQGFBEWZLAIT-LBPRGKRZSA-N 1 1 275.421 3.153 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC001142201181 804701839 /nfs/dbraw/zinc/70/18/39/804701839.db2.gz YDBANTVCXTUPEH-HNNXBMFYSA-N 1 1 299.414 3.487 20 30 CGEDMO C#CC[C@H]([NH3+])c1nc(-c2ccc(-c3ccccc3)cc2)no1 ZINC001247613987 804779885 /nfs/dbraw/zinc/77/98/85/804779885.db2.gz PRRZNEBZJYQUAZ-INIZCTEOSA-N 1 1 289.338 3.427 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2ccc(Cl)cc2F)no1 ZINC001247621983 804782685 /nfs/dbraw/zinc/78/26/85/804782685.db2.gz CKUZRDCCFLEDFB-LLVKDONJSA-N 1 1 281.718 3.495 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2ccc3c(c2)N(CC)CC3)no1 ZINC001247622809 804783436 /nfs/dbraw/zinc/78/34/36/804783436.db2.gz SCIURYJYWVNFTL-CQSZACIVSA-N 1 1 298.390 3.085 20 30 CGEDMO CC(C)[N@@H+](CCCCCO)Cc1c[nH]c2cc(C#N)ccc12 ZINC001142926033 804784790 /nfs/dbraw/zinc/78/47/90/804784790.db2.gz IGGLLAVQYPHECS-UHFFFAOYSA-N 1 1 299.418 3.413 20 30 CGEDMO COc1cc(C)cc(OC)c1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001143143857 804808900 /nfs/dbraw/zinc/80/89/00/804808900.db2.gz ZUOUZLMZQNICDE-CQSZACIVSA-N 1 1 288.391 3.138 20 30 CGEDMO COc1cc(C)cc(OC)c1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001143143857 804808905 /nfs/dbraw/zinc/80/89/05/804808905.db2.gz ZUOUZLMZQNICDE-CQSZACIVSA-N 1 1 288.391 3.138 20 30 CGEDMO COc1cc(C)cc(C[N@H+]2CCc3cc(C#N)ccc3C2)c1 ZINC001143150912 804811042 /nfs/dbraw/zinc/81/10/42/804811042.db2.gz YNSBCXVDJWYCHT-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(C)nc1N)[C@@H]1CCc2ccccc21 ZINC001143208626 804821450 /nfs/dbraw/zinc/82/14/50/804821450.db2.gz IHTUDHBZRLKTMS-GOSISDBHSA-N 1 1 291.398 3.095 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C)nc1N)[C@@H]1CCc2ccccc21 ZINC001143208626 804821454 /nfs/dbraw/zinc/82/14/54/804821454.db2.gz IHTUDHBZRLKTMS-GOSISDBHSA-N 1 1 291.398 3.095 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2cc(C(C)(C)C)ccn2)no1 ZINC001247962998 804857927 /nfs/dbraw/zinc/85/79/27/804857927.db2.gz IILQWXOAAOABAN-NSHDSACASA-N 1 1 272.352 3.005 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2cccc(OC(F)(F)F)c2)no1 ZINC001247966735 804858739 /nfs/dbraw/zinc/85/87/39/804858739.db2.gz FQVXCRUXCHLRTB-JTQLQIEISA-N 1 1 299.252 3.211 20 30 CGEDMO N#Cc1cccc(Cl)c1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001143716071 804887307 /nfs/dbraw/zinc/88/73/07/804887307.db2.gz CQDOFEDHKRLLRJ-BBRMVZONSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1cccc(Cl)c1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001143716071 804887310 /nfs/dbraw/zinc/88/73/10/804887310.db2.gz CQDOFEDHKRLLRJ-BBRMVZONSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1cccc(Cl)c1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001143716073 804887417 /nfs/dbraw/zinc/88/74/17/804887417.db2.gz CQDOFEDHKRLLRJ-CZUORRHYSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1cccc(Cl)c1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001143716073 804887424 /nfs/dbraw/zinc/88/74/24/804887424.db2.gz CQDOFEDHKRLLRJ-CZUORRHYSA-N 1 1 290.794 3.213 20 30 CGEDMO COC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(Cl)cccc1C#N ZINC001143731344 804888581 /nfs/dbraw/zinc/88/85/81/804888581.db2.gz ULHOAIFXTLEOOA-PBWFPOADSA-N 1 1 290.794 3.353 20 30 CGEDMO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(Cl)cccc1C#N ZINC001143731344 804888588 /nfs/dbraw/zinc/88/85/88/804888588.db2.gz ULHOAIFXTLEOOA-PBWFPOADSA-N 1 1 290.794 3.353 20 30 CGEDMO C#CC[N@H+](C)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257020835 807028926 /nfs/dbraw/zinc/02/89/26/807028926.db2.gz KQGCUQUXARQOAW-UHFFFAOYSA-N 1 1 252.361 3.149 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CC[C@@H](COCC2CC2)C1 ZINC001248752479 804983917 /nfs/dbraw/zinc/98/39/17/804983917.db2.gz MXYKIOOFSVUSLA-QGZVFWFLSA-N 1 1 298.430 3.369 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2c[nH]c3nc(Cl)ccc23)C1 ZINC001144415089 804984197 /nfs/dbraw/zinc/98/41/97/804984197.db2.gz BJSOEVCLQYSQSN-NSHDSACASA-N 1 1 273.767 3.062 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@@H+]1CCc2occc2C1 ZINC001248752393 804984342 /nfs/dbraw/zinc/98/43/42/804984342.db2.gz KCHQRWGCUMSSKN-UHFFFAOYSA-N 1 1 266.344 3.272 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCc2occc2C1 ZINC001248752393 804984347 /nfs/dbraw/zinc/98/43/47/804984347.db2.gz KCHQRWGCUMSSKN-UHFFFAOYSA-N 1 1 266.344 3.272 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2ccc3scnc3c2)CC1 ZINC001144738701 805048287 /nfs/dbraw/zinc/04/82/87/805048287.db2.gz GSHPXAPQCZENGG-LBPRGKRZSA-N 1 1 271.389 3.422 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(C)c(C)nc2Cl)C1 ZINC001249029627 805076386 /nfs/dbraw/zinc/07/63/86/805076386.db2.gz WCFNYVBGUZVTPP-CYBMUJFWSA-N 1 1 262.784 3.197 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(C)c(C)nc2Cl)C1 ZINC001249029627 805076395 /nfs/dbraw/zinc/07/63/95/805076395.db2.gz WCFNYVBGUZVTPP-CYBMUJFWSA-N 1 1 262.784 3.197 20 30 CGEDMO C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001166517527 807046976 /nfs/dbraw/zinc/04/69/76/807046976.db2.gz FKBZTBUQZPPZBG-JJTUDDRGSA-N 1 1 292.467 3.499 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)C(CC)CC)C2)C1 ZINC001147025841 805104456 /nfs/dbraw/zinc/10/44/56/805104456.db2.gz FZPGOBRUBYENFP-HNNXBMFYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC1(CNC(=O)CC[N@@H+]2CC[C@H](F)C2)CCCC1 ZINC001147182830 805114605 /nfs/dbraw/zinc/11/46/05/805114605.db2.gz MNAHVAGBEZEXJR-HNNXBMFYSA-N 1 1 296.430 3.063 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC2(CN(C(=O)C3(C)CC3)C2)C1 ZINC001147598120 805140759 /nfs/dbraw/zinc/14/07/59/805140759.db2.gz OAOKZCSZENMYED-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CCC(=O)N1CC2(C1)CC[N@H+](CCCC(C)C)C2 ZINC001147640391 805142204 /nfs/dbraw/zinc/14/22/04/805142204.db2.gz ZBTBMIIJZXZPGH-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cc3ccc(C#N)cc3[nH]2)CCC[C@]1(C)O ZINC001249426950 805146340 /nfs/dbraw/zinc/14/63/40/805146340.db2.gz LZKRTFIMBMGCPP-ACJLOTCBSA-N 1 1 297.402 3.022 20 30 CGEDMO N#Cc1ccc2cc(C[N@@H+]3CCC[C@H](CF)C3)[nH]c2c1 ZINC001249428905 805147495 /nfs/dbraw/zinc/14/74/95/805147495.db2.gz GPFINZMMXSSOAL-CYBMUJFWSA-N 1 1 271.339 3.221 20 30 CGEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C)C(CC)CC)C2)C1 ZINC001147831132 805152050 /nfs/dbraw/zinc/15/20/50/805152050.db2.gz ZQTDXGBJDSLEKW-HNNXBMFYSA-N 1 1 292.467 3.169 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](Cc2cc(F)cc3cc[nH]c32)C1 ZINC001249526049 805166790 /nfs/dbraw/zinc/16/67/90/805166790.db2.gz NIXZNJCWQXUSEC-OAHLLOKOSA-N 1 1 257.312 3.043 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](Cc2cc(F)cc3cc[nH]c32)C1 ZINC001249526049 805166793 /nfs/dbraw/zinc/16/67/93/805166793.db2.gz NIXZNJCWQXUSEC-OAHLLOKOSA-N 1 1 257.312 3.043 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=S)NCCCCCCC ZINC001249649557 805202358 /nfs/dbraw/zinc/20/23/58/805202358.db2.gz XNHJDHMSEZTZCP-HNNXBMFYSA-N 1 1 297.512 3.071 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)CC(C)(C)C ZINC001151893206 805321305 /nfs/dbraw/zinc/32/13/05/805321305.db2.gz XZRWILIXCXSRRQ-CQSZACIVSA-N 1 1 268.445 3.215 20 30 CGEDMO CN(C)c1cc(F)cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1 ZINC001249955260 805323131 /nfs/dbraw/zinc/32/31/31/805323131.db2.gz IDYHZGKRSHSGCE-DVSIDAKKSA-N 1 1 287.382 3.158 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)CCC1CCC1 ZINC001152701964 805362490 /nfs/dbraw/zinc/36/24/90/805362490.db2.gz NMUXMSLPIUUSOR-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CCCCC(=O)NC[C@@H](C)[N@@H+](CC)C[C@@H](C)CC(C)C ZINC001153025415 805381291 /nfs/dbraw/zinc/38/12/91/805381291.db2.gz VRMRJZQSLUYJBU-DLBZAZTESA-N 1 1 294.483 3.299 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)C(CC=C)CC=C ZINC001153561344 805403236 /nfs/dbraw/zinc/40/32/36/805403236.db2.gz LWIRDKMQUJGJKM-OAHLLOKOSA-N 1 1 278.440 3.158 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H](C)[N@H+](CC)C[C@H](F)CC ZINC001153608555 805406797 /nfs/dbraw/zinc/40/67/97/805406797.db2.gz HUKFVZUAMMOCEO-ZIAGYGMSSA-N 1 1 286.435 3.163 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1sc(C)cc1C ZINC001153613224 805407264 /nfs/dbraw/zinc/40/72/64/805407264.db2.gz YJQCHZJJWGUWQR-CYBMUJFWSA-N 1 1 294.464 3.381 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)C(C)(C)C ZINC001154025706 805427238 /nfs/dbraw/zinc/42/72/38/805427238.db2.gz JMNIERPOCYJPAA-ZIAGYGMSSA-N 1 1 268.445 3.071 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)C/C=C/Cl ZINC001154589205 805465035 /nfs/dbraw/zinc/46/50/35/805465035.db2.gz VDNYFWDMQDHNEM-MMQHEFTJSA-N 1 1 286.847 3.168 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@]1(C)C=CCC1 ZINC001154699107 805479093 /nfs/dbraw/zinc/47/90/93/805479093.db2.gz JCOFGNVMFSAHRA-NVXWUHKLSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC1(C)C ZINC001154757613 805482496 /nfs/dbraw/zinc/48/24/96/805482496.db2.gz RXEIGNGBPSFXOL-CHWSQXEVSA-N 1 1 286.847 3.002 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC1(C)C ZINC001154757613 805482499 /nfs/dbraw/zinc/48/24/99/805482499.db2.gz RXEIGNGBPSFXOL-CHWSQXEVSA-N 1 1 286.847 3.002 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@@H](C)[N@H+](CC)CCCC ZINC001154757053 805482855 /nfs/dbraw/zinc/48/28/55/805482855.db2.gz KNWDTSQVJHDKPI-CABCVRRESA-N 1 1 268.445 3.215 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H](C)[N@H+](CC)CCCC)CCC1 ZINC001155062078 805531784 /nfs/dbraw/zinc/53/17/84/805531784.db2.gz UMJWKBIXHAUKEA-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO CC(C)C[C@@](C)(C#N)N[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256910451 807008161 /nfs/dbraw/zinc/00/81/61/807008161.db2.gz ZCJOYYJZKMSLIP-WBVHZDCISA-N 1 1 277.456 3.311 20 30 CGEDMO COc1cccc(CC[N@@H+](C)C2CCC(C#N)CC2)c1 ZINC001256969241 807019906 /nfs/dbraw/zinc/01/99/06/807019906.db2.gz BZWUVBHGTGDEJV-UHFFFAOYSA-N 1 1 272.392 3.252 20 30 CGEDMO N#Cc1ccc(C2CCC([N@H+]3CCC[C@H](CO)C3)CC2)cc1 ZINC001257016216 807027290 /nfs/dbraw/zinc/02/72/90/807027290.db2.gz YJUCQRHOZBPFKQ-IVMQYODDSA-N 1 1 298.430 3.289 20 30 CGEDMO N#CC[C@H]1CCCN(c2[nH+]ccc3c4c([nH]c32)CCC4)C1 ZINC001166741691 807089716 /nfs/dbraw/zinc/08/97/16/807089716.db2.gz FYEXPWPLCZNHLA-GFCCVEGCSA-N 1 1 280.375 3.182 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](C(CC)CC)CC2 ZINC001257298141 807092035 /nfs/dbraw/zinc/09/20/35/807092035.db2.gz HZQAKWHWTSGMLS-KRWDZBQOSA-N 1 1 278.440 3.208 20 30 CGEDMO Cc1[nH+]c(N2CCC[C@@H]2c2nccs2)ccc1CC#N ZINC001167044492 807136264 /nfs/dbraw/zinc/13/62/64/807136264.db2.gz WKCUADSVCNHLJC-CYBMUJFWSA-N 1 1 284.388 3.254 20 30 CGEDMO Cc1cc(F)ccc1[C@H](O)C[N@@H+](CCC#N)CC(C)C ZINC001167457751 807194760 /nfs/dbraw/zinc/19/47/60/807194760.db2.gz JXQMEGZKAASNRG-MRXNPFEDSA-N 1 1 278.371 3.039 20 30 CGEDMO Cc1cc(F)ccc1[C@H](O)C[N@H+](CCC#N)CC(C)C ZINC001167457751 807194762 /nfs/dbraw/zinc/19/47/62/807194762.db2.gz JXQMEGZKAASNRG-MRXNPFEDSA-N 1 1 278.371 3.039 20 30 CGEDMO C=CC[N@H+](C)C1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001257590551 807201904 /nfs/dbraw/zinc/20/19/04/807201904.db2.gz DNQBAAFWMSRAEP-STQMWFEESA-N 1 1 282.428 3.281 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCC[C@](F)(CO)CC3)C[C@H](C1)C2 ZINC001257891254 807241101 /nfs/dbraw/zinc/24/11/01/807241101.db2.gz GJQBYAQGLGCRPK-FCLJQHQZSA-N 1 1 281.415 3.308 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CC[C@](C)(O)[C@H](C)C3)C[C@H](C1)C2 ZINC001257890997 807241267 /nfs/dbraw/zinc/24/12/67/807241267.db2.gz CWLPHSINWGSXLL-BJCAYOAGSA-N 1 1 263.425 3.214 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CCC(=O)[C@H](C)CC3)C[C@H](C1)C2 ZINC001257892539 807242361 /nfs/dbraw/zinc/24/23/61/807242361.db2.gz ZNRHHSSVCJREBJ-JZWPEALZSA-N 1 1 261.409 3.422 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCC[C@@H](C)[C@H]3CO)C[C@H](C1)C2 ZINC001257892475 807242733 /nfs/dbraw/zinc/24/27/33/807242733.db2.gz YZSRCLCTDFSCQE-CTVHLWBWSA-N 1 1 263.425 3.214 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCC[C@H](C)[C@@H]3CO)C[C@H](C1)C2 ZINC001257892490 807242963 /nfs/dbraw/zinc/24/29/63/807242963.db2.gz YZSRCLCTDFSCQE-REOARJMMSA-N 1 1 263.425 3.214 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3C[C@@H]4C(=O)CCC[C@@H]4C3)C[C@H](C1)C2 ZINC001257894313 807243513 /nfs/dbraw/zinc/24/35/13/807243513.db2.gz OKQZEDPEBMTDQT-HODAJMAFSA-N 1 1 273.420 3.422 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCOC4(CCOCC4)C3)C[C@H](C1)C2 ZINC001257894902 807244334 /nfs/dbraw/zinc/24/43/34/807244334.db2.gz BWDYBIUGXDHOSU-SJPCQFCGSA-N 1 1 291.435 3.003 20 30 CGEDMO CCOC(=O)CC1CCC([N@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC001258036357 807269516 /nfs/dbraw/zinc/26/95/16/807269516.db2.gz UMQDNMVQCNHDDP-PCKAHOCUSA-N 1 1 292.423 3.124 20 30 CGEDMO CCCCCCCC[N@@H+](CCN)[C@H]1C[C@H]2C[C@H]2C1 ZINC001167910364 807272855 /nfs/dbraw/zinc/27/28/55/807272855.db2.gz SPCOANGJHRUJGL-ZSHCYNCHSA-N 1 1 252.446 3.406 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CCC[C@@H]1C(=O)OC ZINC001258045399 807273830 /nfs/dbraw/zinc/27/38/30/807273830.db2.gz ZYXADZCHUDQQCS-UONOGXRCSA-N 1 1 255.402 3.373 20 30 CGEDMO CCCCCCC[C@@H](C)NC(=[NH2+])NCCN(CC)CC ZINC001258043054 807274051 /nfs/dbraw/zinc/27/40/51/807274051.db2.gz IEXQWAUAFVIMJC-OAHLLOKOSA-N 1 1 284.492 3.191 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CC[C@@H](N(C)C(C)=O)C1 ZINC001258049250 807275342 /nfs/dbraw/zinc/27/53/42/807275342.db2.gz CJZYDKIDXDDTSI-GOEBONIOSA-N 1 1 268.445 3.288 20 30 CGEDMO C=CC[C@H]([NH2+][C@@H](C)C[C@@H](C)CC(C)C)C(=O)OC ZINC001258057502 807280808 /nfs/dbraw/zinc/28/08/08/807280808.db2.gz SDWTWPAVYMITKH-IHRRRGAJSA-N 1 1 255.402 3.155 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167995372 807293743 /nfs/dbraw/zinc/29/37/43/807293743.db2.gz CSIPSCVIIRCOIH-NAZJXLNTSA-N 1 1 287.451 3.017 20 30 CGEDMO N#CC[C@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167995372 807293749 /nfs/dbraw/zinc/29/37/49/807293749.db2.gz CSIPSCVIIRCOIH-NAZJXLNTSA-N 1 1 287.451 3.017 20 30 CGEDMO N#CC[C@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167995372 807293755 /nfs/dbraw/zinc/29/37/55/807293755.db2.gz CSIPSCVIIRCOIH-NAZJXLNTSA-N 1 1 287.451 3.017 20 30 CGEDMO N#CC[C@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167995372 807293759 /nfs/dbraw/zinc/29/37/59/807293759.db2.gz CSIPSCVIIRCOIH-NAZJXLNTSA-N 1 1 287.451 3.017 20 30 CGEDMO C=CC[N@H+]([C@H]1Cc2ccc(OC)cc2C1)C(C)(C)C ZINC001168289349 807374065 /nfs/dbraw/zinc/37/40/65/807374065.db2.gz QWIUKOLHCCBATR-HNNXBMFYSA-N 1 1 259.393 3.449 20 30 CGEDMO CCCCCCCCC[C@@H](C)[N@H+]1CCOC[C@H](O)C1 ZINC001258228232 807377727 /nfs/dbraw/zinc/37/77/27/807377727.db2.gz FDBHMJCNWAWMSJ-HZPDHXFCSA-N 1 1 271.445 3.209 20 30 CGEDMO C=C[C@H]1C[C@@]1([NH2+]C1CCCCCCC1)C(=O)OCC ZINC001258235697 807382079 /nfs/dbraw/zinc/38/20/79/807382079.db2.gz VFPXNFSAHMREEA-BBRMVZONSA-N 1 1 265.397 3.197 20 30 CGEDMO C=CC[N@@H+](C1CCN(CC2CC2)CC1)C(C)(C)C ZINC001168389641 807401339 /nfs/dbraw/zinc/40/13/39/807401339.db2.gz VGYSSTCYIKKGJP-UHFFFAOYSA-N 1 1 250.430 3.147 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](C2CCN(c3ccccc3)CC2)C1 ZINC001258514589 807482486 /nfs/dbraw/zinc/48/24/86/807482486.db2.gz MRCIRKUORHFYKC-MRXNPFEDSA-N 1 1 268.404 3.001 20 30 CGEDMO C=CC[C@H]([NH2+][C@@H](Cc1ccccc1)CC(C)C)C(=O)OC ZINC001169058998 807562293 /nfs/dbraw/zinc/56/22/93/807562293.db2.gz CDTBKKLVCVWWFU-SJORKVTESA-N 1 1 289.419 3.351 20 30 CGEDMO C=CC[C@@H]([NH2+][C@@H](Cc1ccccc1)CC(C)C)C(=O)OC ZINC001169058996 807562323 /nfs/dbraw/zinc/56/23/23/807562323.db2.gz CDTBKKLVCVWWFU-IAGOWNOFSA-N 1 1 289.419 3.351 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCN(C(=O)OC(C)(C)C)CC12CC2 ZINC001258724656 807572538 /nfs/dbraw/zinc/57/25/38/807572538.db2.gz BSPPGGBUYNIXSR-AWEZNQCLSA-N 1 1 294.439 3.426 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CCc2ncnc(OC(C)C)c2CC1 ZINC001258727146 807574708 /nfs/dbraw/zinc/57/47/08/807574708.db2.gz FQWUOLSVUSPDCY-AWEZNQCLSA-N 1 1 289.423 3.019 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@H]2c3ccccc3C(=O)[C@H]2C1 ZINC001258726803 807574938 /nfs/dbraw/zinc/57/49/38/807574938.db2.gz WWILOWDBAJHDBU-RCBQFDQVSA-N 1 1 255.361 3.253 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC001258729671 807576310 /nfs/dbraw/zinc/57/63/10/807576310.db2.gz WTGQXLWGJBEANP-QLFBSQMISA-N 1 1 294.439 3.425 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1Cc2cccc(C(=O)OC)c2C1 ZINC001258734736 807580972 /nfs/dbraw/zinc/58/09/72/807580972.db2.gz IISOBRMVQQXIBA-LBPRGKRZSA-N 1 1 259.349 3.144 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1Cc2cccc(C(=O)OC)c2C1 ZINC001258734736 807580975 /nfs/dbraw/zinc/58/09/75/807580975.db2.gz IISOBRMVQQXIBA-LBPRGKRZSA-N 1 1 259.349 3.144 20 30 CGEDMO CCCN1CCC([NH2+]C2(c3ccc(C#N)cc3)CC2)CC1 ZINC001258768320 807603756 /nfs/dbraw/zinc/60/37/56/807603756.db2.gz IJNXPRNHPYODQE-UHFFFAOYSA-N 1 1 283.419 3.011 20 30 CGEDMO C[C@H]1CCC[C@H]([N@H+]2CCc3cc(C#N)ccc3C2)C1 ZINC001258817813 807634926 /nfs/dbraw/zinc/63/49/26/807634926.db2.gz AVCPYFDUJYONLU-GUYCJALGSA-N 1 1 254.377 3.495 20 30 CGEDMO C=CC[N@@H+](C1CCCCC1)[C@@H]1CCCC2(C1)OCCO2 ZINC001169962618 807730279 /nfs/dbraw/zinc/73/02/79/807730279.db2.gz RISICVRZCVGHMY-MRXNPFEDSA-N 1 1 279.424 3.493 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCC)C1 ZINC001261695846 807778685 /nfs/dbraw/zinc/77/86/85/807778685.db2.gz FMXDFRDGCOCARJ-LSDHHAIUSA-N 1 1 298.858 3.242 20 30 CGEDMO C=CCCCNc1nc(N2CCCC(C)(C)C2)cc[nH+]1 ZINC001170298848 807819904 /nfs/dbraw/zinc/81/99/04/807819904.db2.gz SDZVLJFNDNKHKC-UHFFFAOYSA-N 1 1 274.412 3.481 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@H](CC)Cc2ccc3c(c2)OCO3)C1 ZINC001170450173 807845817 /nfs/dbraw/zinc/84/58/17/807845817.db2.gz RWESWVKWAWOJJF-GDBMZVCRSA-N 1 1 285.387 3.082 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1Cc2cccc(C)c2CC1(C)C ZINC001170499701 807849156 /nfs/dbraw/zinc/84/91/56/807849156.db2.gz FQCKRHFLHXKKJW-MRXNPFEDSA-N 1 1 273.420 3.459 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC001170804386 807910963 /nfs/dbraw/zinc/91/09/63/807910963.db2.gz NSDSRWZAHZKKOB-ZBFHGGJFSA-N 1 1 256.393 3.088 20 30 CGEDMO C#CCCCCCC[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC001170806325 807910993 /nfs/dbraw/zinc/91/09/93/807910993.db2.gz XSIKWTRKICDGMJ-UHFFFAOYSA-N 1 1 285.387 3.444 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)C(=C)C ZINC001263805742 808006431 /nfs/dbraw/zinc/00/64/31/808006431.db2.gz VGIGNJJSICLJPZ-HNNXBMFYSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCC1CC1 ZINC001263807728 808006574 /nfs/dbraw/zinc/00/65/74/808006574.db2.gz QDTYVQVIHHIDMT-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC001171221693 808012180 /nfs/dbraw/zinc/01/21/80/808012180.db2.gz SHFLMISFHOPMMK-HNAYVOBHSA-N 1 1 291.398 3.374 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)C[C@H]1CC1(C)C ZINC001171223263 808012368 /nfs/dbraw/zinc/01/23/68/808012368.db2.gz LQGJFHJGSPDBBZ-CZUORRHYSA-N 1 1 256.393 3.467 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)CC)[C@H]1CC ZINC001264050491 808031779 /nfs/dbraw/zinc/03/17/79/808031779.db2.gz PMDYVYTUKWBLNJ-HRCADAONSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@H]1CC[N@@H+](CCC(=C)C)[C@@H]1C ZINC001264157545 808041388 /nfs/dbraw/zinc/04/13/88/808041388.db2.gz JXZIHWVQWYXRLS-PMPSAXMXSA-N 1 1 278.440 3.134 20 30 CGEDMO CC#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC/C=C\CC ZINC001264369351 808060358 /nfs/dbraw/zinc/06/03/58/808060358.db2.gz UYRPPCWOVUHPGC-KMDWOBIYSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CC[C@H](C(=O)OC)[N@H+]1CC[C@@H]([C@H]2CCCC2(C)C)C1 ZINC001171459170 808065065 /nfs/dbraw/zinc/06/50/65/808065065.db2.gz SKEHMGBFPLNTPN-RBSFLKMASA-N 1 1 279.424 3.252 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2(CC(C)C)CCC2)[C@H]1C ZINC001264710729 808087139 /nfs/dbraw/zinc/08/71/39/808087139.db2.gz WACITLJUMGZLTB-CVEARBPZSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C2CCCC2)[C@H]1C ZINC001264727122 808088047 /nfs/dbraw/zinc/08/80/47/808088047.db2.gz AVWNBBFBXPDPPU-UXLLHSPISA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H](F)CC)CC(C)(C)C1 ZINC001264753592 808092906 /nfs/dbraw/zinc/09/29/06/808092906.db2.gz LBVHDRPQKZCYHV-LSDHHAIUSA-N 1 1 298.446 3.308 20 30 CGEDMO Cc1cccc2c1CC[C@@H]([N@H+]1CCC[C@@H](C#N)C1)C2 ZINC001171571469 808100397 /nfs/dbraw/zinc/10/03/97/808100397.db2.gz YORJLZQPIJYFGF-GOEBONIOSA-N 1 1 254.377 3.088 20 30 CGEDMO C=CC[N@@H+](C)CCCNC(=O)[C@@]1(C)CCC(C)=C(C)C1 ZINC001265074908 808107759 /nfs/dbraw/zinc/10/77/59/808107759.db2.gz LRPRRGFDFCOUED-KRWDZBQOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)C[N@@H+](CCCNC(=O)C=C1CCCCC1)C1CC1 ZINC001265154744 808114255 /nfs/dbraw/zinc/11/42/55/808114255.db2.gz HSGQOCHJWCIKOM-UHFFFAOYSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)c2ccoc2C)C1 ZINC001265203922 808119212 /nfs/dbraw/zinc/11/92/12/808119212.db2.gz RPQYTYMAMGPMRJ-HIFRSBDPSA-N 1 1 290.407 3.137 20 30 CGEDMO CC(C)[C@@](C)(C#N)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171725217 808126602 /nfs/dbraw/zinc/12/66/02/808126602.db2.gz HYWDAHVCAHPNPQ-BPQIPLTHSA-N 1 1 285.435 3.177 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[N@H+](CCCC(C)C)C2)CCC1 ZINC001265301336 808128686 /nfs/dbraw/zinc/12/86/86/808128686.db2.gz IONMMEHEDQLHKO-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001265312451 808130038 /nfs/dbraw/zinc/13/00/38/808130038.db2.gz NSNCBWODUAFNOX-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C[C@H]1C[C@@H](N2CCC(C)(C#N)CC2)C[N@H+]1Cc1ccccc1 ZINC001171759928 808131393 /nfs/dbraw/zinc/13/13/93/808131393.db2.gz OLPRQWHVBSWFDI-FUHWJXTLSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1C[C@H](N2CCCC[C@@H]2C#N)C[N@H+]1Cc1ccccc1 ZINC001171762867 808133622 /nfs/dbraw/zinc/13/36/22/808133622.db2.gz MMMOJPPZRAAPKY-NXHRZFHOSA-N 1 1 283.419 3.027 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)CC(C)(C)C2CC2)C1 ZINC001265388278 808138704 /nfs/dbraw/zinc/13/87/04/808138704.db2.gz AYPPELAZOJNDON-OAHLLOKOSA-N 1 1 292.467 3.169 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1Cc2cccc(F)c2C1 ZINC001171809735 808145664 /nfs/dbraw/zinc/14/56/64/808145664.db2.gz MGULJUBDNOKUTH-MRXNPFEDSA-N 1 1 280.346 3.297 20 30 CGEDMO C=CC[N@@H+](Cc1cc(Cl)ccc1OC)[C@@H](C)COC ZINC001171917511 808153958 /nfs/dbraw/zinc/15/39/58/808153958.db2.gz YGQCGARMVXSYRY-LBPRGKRZSA-N 1 1 283.799 3.372 20 30 CGEDMO C=CC[N@@H+](CC1CCC2(CC2)CC1)[C@H](C)COC ZINC001171915788 808154347 /nfs/dbraw/zinc/15/43/47/808154347.db2.gz HEAIUYWTJCNWFR-CQSZACIVSA-N 1 1 251.414 3.480 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CCC[N@H+](CC(=C)C)C2)CCC1 ZINC001265591118 808157995 /nfs/dbraw/zinc/15/79/95/808157995.db2.gz OLCNQMRKVADKDM-MRXNPFEDSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)C2CCCC2)C1 ZINC001265595344 808158006 /nfs/dbraw/zinc/15/80/06/808158006.db2.gz XGBANBAIEKZRAV-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@](C)(F)CCCC)C1 ZINC001265587069 808158347 /nfs/dbraw/zinc/15/83/47/808158347.db2.gz VEFJNOXPKAEUCS-NVXWUHKLSA-N 1 1 298.446 3.309 20 30 CGEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)CC1=CCCCC1 ZINC001265640533 808163111 /nfs/dbraw/zinc/16/31/11/808163111.db2.gz GDEZRUXTIYLVCH-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C#CCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172077182 808169646 /nfs/dbraw/zinc/16/96/46/808169646.db2.gz PJIWEODWYBCZDP-REPLKXPHSA-N 1 1 282.431 3.185 20 30 CGEDMO C[C@@H](C#N)N(C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172086312 808170046 /nfs/dbraw/zinc/17/00/46/808170046.db2.gz FJOJSCFQHRPWDK-GDAAHCPNSA-N 1 1 297.446 3.416 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172102478 808174029 /nfs/dbraw/zinc/17/40/29/808174029.db2.gz NFDVYPATUUXMKO-QDMKHBRRSA-N 1 1 294.439 3.425 20 30 CGEDMO C=CCCC(=O)NC[C@@H](C)[NH2+][C@H](C)c1c(F)cccc1F ZINC001265759525 808178397 /nfs/dbraw/zinc/17/83/97/808178397.db2.gz XEPHSOOLZFBHRZ-VXGBXAGGSA-N 1 1 296.361 3.086 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)[C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172188330 808191539 /nfs/dbraw/zinc/19/15/39/808191539.db2.gz GOPCNDOKZQVVRR-MSOLQXFVSA-N 1 1 298.430 3.218 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCNC(=O)C12CCC(CC1)CC2 ZINC001265976638 808198185 /nfs/dbraw/zinc/19/81/85/808198185.db2.gz VYKNVOUKRPHVJB-UHFFFAOYSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCNC(=O)C12CCC(CC1)CC2 ZINC001265976638 808198189 /nfs/dbraw/zinc/19/81/89/808198189.db2.gz VYKNVOUKRPHVJB-UHFFFAOYSA-N 1 1 298.858 3.147 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)c2ccsc2)C1 ZINC001266091148 808210044 /nfs/dbraw/zinc/21/00/44/808210044.db2.gz ZGBJRDJURRTELL-HNNXBMFYSA-N 1 1 292.448 3.251 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)C2(CCC)CC2)C1 ZINC001266111036 808212683 /nfs/dbraw/zinc/21/26/83/808212683.db2.gz UOERCNLNJZUECS-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCC2)C1 ZINC001266110812 808213836 /nfs/dbraw/zinc/21/38/36/808213836.db2.gz PLPPUCDGPSTERX-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H](c2ccncc2)C1 ZINC001172307204 808222211 /nfs/dbraw/zinc/22/22/11/808222211.db2.gz MYQSXYWJXWNBFG-KXBFYZLASA-N 1 1 291.398 3.374 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H](COCC2CC2)C1 ZINC001172311178 808223040 /nfs/dbraw/zinc/22/30/40/808223040.db2.gz QGVZFMMTZFLTLC-KXBFYZLASA-N 1 1 298.430 3.238 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@]2(C1)CCCCO2 ZINC001172314969 808225225 /nfs/dbraw/zinc/22/52/25/808225225.db2.gz MYKNYTLXVWBMNK-CRAIPNDOSA-N 1 1 284.403 3.134 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1nccs1 ZINC001172320267 808229694 /nfs/dbraw/zinc/22/96/94/808229694.db2.gz UKLPQKIJLBWSLL-GFCCVEGCSA-N 1 1 271.389 3.078 20 30 CGEDMO CC[N@@H+](Cc1ccccn1)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172320501 808230205 /nfs/dbraw/zinc/23/02/05/808230205.db2.gz VIMIGNFUXKYPLI-HNNXBMFYSA-N 1 1 279.387 3.406 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C)CCCCC)C1 ZINC001266242985 808231444 /nfs/dbraw/zinc/23/14/44/808231444.db2.gz KEYQDFUKVPEFPB-IRXDYDNUSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)C(CC)CC)C1 ZINC001266327196 808243769 /nfs/dbraw/zinc/24/37/69/808243769.db2.gz APTOLWVCNIGGTJ-GDBMZVCRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@]2(C)C=CCC2)C1 ZINC001266336587 808244071 /nfs/dbraw/zinc/24/40/71/808244071.db2.gz RUHPJKVDASSRBZ-FUHWJXTLSA-N 1 1 290.451 3.280 20 30 CGEDMO CC[C@H](C)OCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001172345008 808244645 /nfs/dbraw/zinc/24/46/45/808244645.db2.gz BKXPFNXIAPWKHA-UVPYHEFZSA-N 1 1 264.413 3.347 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@H+](CCCF)C2)CCCCC1 ZINC001266361815 808247785 /nfs/dbraw/zinc/24/77/85/808247785.db2.gz SQDDFZLTKFQCGI-HNNXBMFYSA-N 1 1 296.430 3.063 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCC[N@@H+]1[C@H](C)c1ccccc1 ZINC001266450880 808267096 /nfs/dbraw/zinc/26/70/96/808267096.db2.gz WRJNXTQKPFDKGI-WBVHZDCISA-N 1 1 286.419 3.294 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)CCCC ZINC001266461762 808271483 /nfs/dbraw/zinc/27/14/83/808271483.db2.gz VSIXMVXIKXNOTB-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C)C(C)C)C1 ZINC001266469893 808272173 /nfs/dbraw/zinc/27/21/73/808272173.db2.gz VPNLALIPRXNNRB-JKSUJKDBSA-N 1 1 280.456 3.025 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H]2CC[N@H+](CC(CC)CC)C2)C1 ZINC001266533957 808282167 /nfs/dbraw/zinc/28/21/67/808282167.db2.gz ULFWZAPDUHWKPW-INIZCTEOSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)CCC)C1 ZINC001266528132 808282340 /nfs/dbraw/zinc/28/23/40/808282340.db2.gz KGGCXADMJPFZBC-HNNXBMFYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](CNC(=O)C(C)(C)CC)C1 ZINC001266528663 808282960 /nfs/dbraw/zinc/28/29/60/808282960.db2.gz VLDNENNONVNXPC-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)c1ccsc1Cl ZINC001266573214 808288190 /nfs/dbraw/zinc/28/81/90/808288190.db2.gz MAAGWUACUIGCRJ-UHFFFAOYSA-N 1 1 286.828 3.029 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)C(C)C)C1 ZINC001266891693 808330511 /nfs/dbraw/zinc/33/05/11/808330511.db2.gz QOOURLUYEWNDJG-CVEARBPZSA-N 1 1 294.483 3.461 20 30 CGEDMO C#CCCCC(=O)N[C@H](C)[C@H]1CCC[N@H+](CCC(C)C)C1 ZINC001266891840 808330989 /nfs/dbraw/zinc/33/09/89/808330989.db2.gz LFRYNLQTOKLVJT-SJORKVTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCOC(=O)[C@H](CC(C)C)[NH2+][C@H](C)CCOCC(C)C ZINC001172461610 808332942 /nfs/dbraw/zinc/33/29/42/808332942.db2.gz IMBPGXLMLRKFBO-CVEARBPZSA-N 1 1 299.455 3.171 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001172500414 808354541 /nfs/dbraw/zinc/35/45/41/808354541.db2.gz NIGVNCOJPMYEOU-MAUKXSAKSA-N 1 1 297.402 3.484 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@@H]1CC(=O)OC(C)(C)C ZINC001172499580 808354710 /nfs/dbraw/zinc/35/47/10/808354710.db2.gz YNHFFMFZQZMPLS-UONOGXRCSA-N 1 1 280.412 3.265 20 30 CGEDMO CC(=O)c1ccc2c(c1)C[N@@H+]([C@@H](C)CCCC#N)CC2 ZINC001172498478 808355114 /nfs/dbraw/zinc/35/51/14/808355114.db2.gz NKIAFNAGTPHXEM-ZDUSSCGKSA-N 1 1 270.376 3.330 20 30 CGEDMO C[C@H](CCCC#N)[N@@H+]1C[C@H]2[C@@H](CCN2Cc2ccccc2)C1 ZINC001172503991 808360684 /nfs/dbraw/zinc/36/06/84/808360684.db2.gz DHKYCXWSWUKYEL-NEWSRXKRSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@H](CCCC#N)N1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccccc2)C1 ZINC001172503991 808360693 /nfs/dbraw/zinc/36/06/93/808360693.db2.gz DHKYCXWSWUKYEL-NEWSRXKRSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@H](CCCC#N)N1C[C@H]2[C@@H](CC[N@H+]2Cc2ccccc2)C1 ZINC001172503991 808360702 /nfs/dbraw/zinc/36/07/02/808360702.db2.gz DHKYCXWSWUKYEL-NEWSRXKRSA-N 1 1 297.446 3.275 20 30 CGEDMO CCCCCCCC[C@H](CC)[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC001172505492 808360806 /nfs/dbraw/zinc/36/08/06/808360806.db2.gz OBXGZUKCMDKNAJ-IKGGRYGDSA-N 1 1 285.472 3.191 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)CC(CC)CC)C1 ZINC001267114230 808360892 /nfs/dbraw/zinc/36/08/92/808360892.db2.gz YWTLVJIHKNWQAC-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO Cc1ccnc(O[C@H]2CCC[N@H+]([C@@H](C)CCCC#N)C2)c1 ZINC001172509825 808367032 /nfs/dbraw/zinc/36/70/32/808367032.db2.gz REEHTWAVLSDHNL-HOTGVXAUSA-N 1 1 287.407 3.316 20 30 CGEDMO C=C/C(C)=C\CC(=O)NCCC[C@H]1CCC[N@@H+]1CC(=C)C ZINC001267173069 808373991 /nfs/dbraw/zinc/37/39/91/808373991.db2.gz FEBAIQIDXQXXTN-RNIVLKNTSA-N 1 1 290.451 3.446 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)[C@@H]1CCCC[C@@H]1C1CC1 ZINC001267209778 808381546 /nfs/dbraw/zinc/38/15/46/808381546.db2.gz LJOSXNANHMWGBW-IAGOWNOFSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C1CC(C)(C(=O)NCC[N@H+](CC)CC/C=C/CC)C1 ZINC001267251335 808397732 /nfs/dbraw/zinc/39/77/32/808397732.db2.gz CRKBXQLUDJZAPY-BQYQJAHWSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1CCC[N@H+]1CC1CCCC1 ZINC001267272373 808402315 /nfs/dbraw/zinc/40/23/15/808402315.db2.gz MNZKZXGWVQQYRW-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H](C)CC(C)(C)C ZINC001267276267 808402409 /nfs/dbraw/zinc/40/24/09/808402409.db2.gz OJOAKSRGAAIVPQ-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@H+]([C@@H]1CCC[C@H](C(=O)OC)C1)C(C)(C)C ZINC001172638824 808406750 /nfs/dbraw/zinc/40/67/50/808406750.db2.gz YXPJZJNNVFERIG-QWHCGFSZSA-N 1 1 253.386 3.005 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)CC[C@H](C)CC)C1 ZINC001267306700 808410831 /nfs/dbraw/zinc/41/08/31/808410831.db2.gz WQWKKVYSBUIKAK-TZMCWYRMSA-N 1 1 286.847 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)CC[C@H](C)CC)C1 ZINC001267306700 808410836 /nfs/dbraw/zinc/41/08/36/808410836.db2.gz WQWKKVYSBUIKAK-TZMCWYRMSA-N 1 1 286.847 3.003 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)c1c(C)[nH]c2ccccc21 ZINC001267314814 808411619 /nfs/dbraw/zinc/41/16/19/808411619.db2.gz OLZUWUWEKCLOJC-UHFFFAOYSA-N 1 1 299.418 3.104 20 30 CGEDMO C=CC(C)(C)C(=O)NCCC[N@H+](CC(C)C)C(C)C ZINC001267505845 808434755 /nfs/dbraw/zinc/43/47/55/808434755.db2.gz MXALQMKFWALREH-UHFFFAOYSA-N 1 1 268.445 3.071 20 30 CGEDMO C=C(C)C[N@H+](CCNC(=O)[C@@]1(C)CCC[C@H]1CC)C1CC1 ZINC001267328488 808415765 /nfs/dbraw/zinc/41/57/65/808415765.db2.gz XUESYXYKNJTSMD-QAPCUYQASA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)CC ZINC001267409967 808423454 /nfs/dbraw/zinc/42/34/54/808423454.db2.gz LFQVNPRRAFSQLV-HRCADAONSA-N 1 1 278.440 3.064 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H](C)CCCC)C1 ZINC001267459536 808429865 /nfs/dbraw/zinc/42/98/65/808429865.db2.gz KTBQILPWPXZGMZ-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)C[C@H]2C=CCC2)C1 ZINC001267500576 808433174 /nfs/dbraw/zinc/43/31/74/808433174.db2.gz GUZARBHSIASNBZ-IRXDYDNUSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)C[C@@H]2C=CCC2)C1 ZINC001267500575 808433428 /nfs/dbraw/zinc/43/34/28/808433428.db2.gz GUZARBHSIASNBZ-IAGOWNOFSA-N 1 1 290.451 3.137 20 30 CGEDMO C#CCC[N@H+](CCCNC(=O)[C@H]1CCC[C@@H](C)C1)C(C)C ZINC001267506878 808435400 /nfs/dbraw/zinc/43/54/00/808435400.db2.gz CJQILKJGUWHPCL-SJORKVTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)[C@@H]1C[C@]1(C)C(C)C)C(C)C ZINC001267512034 808436074 /nfs/dbraw/zinc/43/60/74/808436074.db2.gz YUSJMFWJTAKWMZ-FUHWJXTLSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCCC(=O)N(CCC)[C@H]1CC[N@@H+](CCC)C1 ZINC001267546512 808443999 /nfs/dbraw/zinc/44/39/99/808443999.db2.gz PUWHLTNRSAUJPA-HNNXBMFYSA-N 1 1 266.429 3.066 20 30 CGEDMO C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC)CCCC)C1 ZINC001267633375 808462997 /nfs/dbraw/zinc/46/29/97/808462997.db2.gz XWERQBLNCCLXKF-DLBZAZTESA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCCCCC[NH+]1CC(NC(=O)[C@@H]2CCCC[C@H]2C)C1 ZINC001267657026 808466638 /nfs/dbraw/zinc/46/66/38/808466638.db2.gz DMAKPIWLWSGSGQ-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+](C)CC1CCN(C(=O)C[C@H](C)CCC)CC1 ZINC001267718247 808477122 /nfs/dbraw/zinc/47/71/22/808477122.db2.gz DFUXOVLDUIJFMG-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)C2CC2)C1 ZINC001267770748 808488371 /nfs/dbraw/zinc/48/83/71/808488371.db2.gz QWJWRBCQWITASQ-GOEBONIOSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C2(C)CC(=C)C2)C1 ZINC001267771277 808489148 /nfs/dbraw/zinc/48/91/48/808489148.db2.gz CRSQWWQWASSGNK-HZPDHXFCSA-N 1 1 290.451 3.230 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](N(CC)C(=O)CCCC[C@H](C)CC)C1 ZINC001267787185 808491188 /nfs/dbraw/zinc/49/11/88/808491188.db2.gz XIBWYVHYTXMUPP-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)C[C@@H]2CC=CCC2)C1 ZINC001267792030 808493451 /nfs/dbraw/zinc/49/34/51/808493451.db2.gz SUDBVYHGNIOCEP-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)C[C@@H](C=C)CC)C1 ZINC001267792425 808493963 /nfs/dbraw/zinc/49/39/63/808493963.db2.gz ZOMHWEKNSJRTML-JKSUJKDBSA-N 1 1 278.440 3.088 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@@H](C)CCN(C)C(=O)OC(C)(C)C ZINC001172963824 808495433 /nfs/dbraw/zinc/49/54/33/808495433.db2.gz JCBXPIBIXAWMQF-AWEZNQCLSA-N 1 1 297.443 3.258 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001267937769 808517289 /nfs/dbraw/zinc/51/72/89/808517289.db2.gz WJTWFVMPUQVBCC-QGZVFWFLSA-N 1 1 286.419 3.124 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CCc2ncsc2C1 ZINC001173140445 808526170 /nfs/dbraw/zinc/52/61/70/808526170.db2.gz XYTDVKNHPUOXAB-AWEZNQCLSA-N 1 1 283.400 3.004 20 30 CGEDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001173234259 808542815 /nfs/dbraw/zinc/54/28/15/808542815.db2.gz QPVJQZKTAXQMNT-ZFZWDLNGSA-N 1 1 299.374 3.292 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[C@H](C)C1 ZINC001268248063 808567906 /nfs/dbraw/zinc/56/79/06/808567906.db2.gz RWJRMAYVDRKCAK-HOTGVXAUSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCOC1CCC(N2CCC([N@H+](C)C3CC3)CC2)CC1 ZINC001173322886 808611211 /nfs/dbraw/zinc/61/12/11/808611211.db2.gz OUNAPOYYNXUHNC-UHFFFAOYSA-N 1 1 292.467 3.059 20 30 CGEDMO C=CCOC1CCC(N2CCC([N@@H+](C)C3CC3)CC2)CC1 ZINC001173322886 808611216 /nfs/dbraw/zinc/61/12/16/808611216.db2.gz OUNAPOYYNXUHNC-UHFFFAOYSA-N 1 1 292.467 3.059 20 30 CGEDMO C=CCOC1CCC([NH+]2CCC(N(C)C3CC3)CC2)CC1 ZINC001173322886 808611218 /nfs/dbraw/zinc/61/12/18/808611218.db2.gz OUNAPOYYNXUHNC-UHFFFAOYSA-N 1 1 292.467 3.059 20 30 CGEDMO Cc1[nH]c2ccc(Nc3c(C#N)cnn3C(C)C)cc2[nH+]1 ZINC001213072509 815222223 /nfs/dbraw/zinc/22/22/23/815222223.db2.gz XONODEZCEDHFLQ-UHFFFAOYSA-N 1 1 280.335 3.264 20 30 CGEDMO C=CCOC1CCC([N@H+]2CC[C@@H](c3ccccn3)C2)CC1 ZINC001173327304 808613283 /nfs/dbraw/zinc/61/32/83/808613283.db2.gz LTFOKKZPPIWXCG-KLAILNCOSA-N 1 1 286.419 3.385 20 30 CGEDMO CC[C@H]([NH2+]C1CCC(CC#N)CC1)C(=O)OC(C)(C)C ZINC001173328770 808613815 /nfs/dbraw/zinc/61/38/15/808613815.db2.gz MLRFAVZSEHRCBT-RUXDESIVSA-N 1 1 280.412 3.169 20 30 CGEDMO CCOC(=O)[C@H]1CCCC[N@H+](C2CCC(CC#N)CC2)C1 ZINC001173337684 808618731 /nfs/dbraw/zinc/61/87/31/808618731.db2.gz RLXXHKFQLSCWII-PCKAHOCUSA-N 1 1 292.423 3.124 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)C1CCC(CC#N)CC1 ZINC001173336991 808618763 /nfs/dbraw/zinc/61/87/63/808618763.db2.gz UWKRQKHHHATIJG-UHFFFAOYSA-N 1 1 267.376 3.463 20 30 CGEDMO C#Cc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CC/C=C\CC)cc1 ZINC001268741808 808620092 /nfs/dbraw/zinc/62/00/92/808620092.db2.gz YOJSUENYNGCNEK-PTZVLDCSSA-N 1 1 298.430 3.074 20 30 CGEDMO C=CCOC(=O)[C@H](CC(C)C)[NH2+]C1CCC(C)(C#N)CC1 ZINC001173586143 808645908 /nfs/dbraw/zinc/64/59/08/808645908.db2.gz JHSQJOVZAGWHFB-CKDBGZEDSA-N 1 1 292.423 3.192 20 30 CGEDMO CCOC(=O)[C@@H]([NH2+]C1CCC(C)(C#N)CC1)[C@@H](C)CC ZINC001173589417 808647380 /nfs/dbraw/zinc/64/73/80/808647380.db2.gz YLJARHUDRWMDHX-REWIBIJMSA-N 1 1 280.412 3.026 20 30 CGEDMO CC1(C#N)CCC([NH2+]CC(F)(F)c2ccccn2)CC1 ZINC001173588534 808647476 /nfs/dbraw/zinc/64/74/76/808647476.db2.gz JQQOSVRDGDCFPP-UHFFFAOYSA-N 1 1 279.334 3.235 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CCC[C@H](Oc3ccncc3)C2)CC1 ZINC001173596819 808649790 /nfs/dbraw/zinc/64/97/90/808649790.db2.gz DZARZNFZGBJYCJ-NXYGQSRBSA-N 1 1 299.418 3.397 20 30 CGEDMO COC[C@@]12CCC[C@@H]1C[N@H+](C1CCC(C)(C#N)CC1)C2 ZINC001173594866 808650073 /nfs/dbraw/zinc/65/00/73/808650073.db2.gz NFJJFUKLWAZKGN-VXLLPVPCSA-N 1 1 276.424 3.207 20 30 CGEDMO Cc1nnc([C@H]2CCC[N@H+](C3CCC(C)(C#N)CC3)C2)o1 ZINC001173597771 808651470 /nfs/dbraw/zinc/65/14/70/808651470.db2.gz ILQBQXAIPXDYQV-HLIUYOAVSA-N 1 1 288.395 3.030 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C(CC(C)C)CC(C)C)C1 ZINC001269198846 808654654 /nfs/dbraw/zinc/65/46/54/808654654.db2.gz FAUKEJDNIMWUSA-QGZVFWFLSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1CC[N@@H+]1C/C=C\c1ccccc1 ZINC001269272964 808661114 /nfs/dbraw/zinc/66/11/14/808661114.db2.gz QBXTWSOTIOMBNM-NLZINVLXSA-N 1 1 298.430 3.103 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1CC[N@H+]1C/C=C\c1ccccc1 ZINC001269272964 808661124 /nfs/dbraw/zinc/66/11/24/808661124.db2.gz QBXTWSOTIOMBNM-NLZINVLXSA-N 1 1 298.430 3.103 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)C(CCC)CCC)C1 ZINC001269269360 808662093 /nfs/dbraw/zinc/66/20/93/808662093.db2.gz YYJXWCKVPPVTSE-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC(C)(C)C(=O)N(C)[C@@H]1CC[N@H+](C[C@H](C)CC)C1 ZINC001269281862 808663208 /nfs/dbraw/zinc/66/32/08/808663208.db2.gz VJMRBKOXBQICLV-HUUCEWRRSA-N 1 1 280.456 3.168 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](CCC)CC(C)C)C1 ZINC001269303205 808667671 /nfs/dbraw/zinc/66/76/71/808667671.db2.gz ZMYNSDORACFHQT-SJORKVTESA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)CCC2CCCC2)C1 ZINC001269307674 808668545 /nfs/dbraw/zinc/66/85/45/808668545.db2.gz WEFRXBDTWUVGHS-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C#CC[N@H+](C)C1CCC(c2ccc(OC(C)=O)cc2)CC1 ZINC001173789709 808670783 /nfs/dbraw/zinc/67/07/83/808670783.db2.gz QTKIKYLTJNJPQW-UHFFFAOYSA-N 1 1 285.387 3.203 20 30 CGEDMO CCCCCCCC[N@@H+](C)[C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173761736 808670919 /nfs/dbraw/zinc/67/09/19/808670919.db2.gz VWULLYXVZIBTOK-HOTGVXAUSA-N 1 1 293.459 3.449 20 30 CGEDMO C=CCCCC(=O)N(CC)[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001269345633 808671389 /nfs/dbraw/zinc/67/13/89/808671389.db2.gz SLWOUZZLXPPOAL-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)/C(C)=C/CC)C2)C1 ZINC001269685120 808697150 /nfs/dbraw/zinc/69/71/50/808697150.db2.gz CSVDPPGSDCWQGF-XSZFBFBBSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@]1(C)CCC[N@H+](CC(C)C)C1 ZINC001270965957 808756475 /nfs/dbraw/zinc/75/64/75/808756475.db2.gz SLKQWKVSMUFOQG-SFHVURJKSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCCC)C2 ZINC001271730440 808780919 /nfs/dbraw/zinc/78/09/19/808780919.db2.gz NCKFJISJWIETDX-MUJYYYPQSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC1CC1 ZINC001272014387 808792039 /nfs/dbraw/zinc/79/20/39/808792039.db2.gz AYMGAQIXMPIIEZ-DLBZAZTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1(CCC)CCC1 ZINC001272031887 808793984 /nfs/dbraw/zinc/79/39/84/808793984.db2.gz AVQOUHFNIQKUCA-HZPDHXFCSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@@H](C)CC ZINC001272042333 808794430 /nfs/dbraw/zinc/79/44/30/808794430.db2.gz CXFNDXJIEBRPKW-YESZJQIVSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)CCN(C)C(=O)C(C)(C)CC ZINC001272097773 808797622 /nfs/dbraw/zinc/79/76/22/808797622.db2.gz HIXPIHCAENTCMV-AWEZNQCLSA-N 1 1 268.445 3.168 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)CCN(C)C(=O)C(C)(C)CC ZINC001272097774 808797286 /nfs/dbraw/zinc/79/72/86/808797286.db2.gz HIXPIHCAENTCMV-CQSZACIVSA-N 1 1 268.445 3.168 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)[C@H](C)[C@H](C)C(C)(C)C ZINC001272131175 808799328 /nfs/dbraw/zinc/79/93/28/808799328.db2.gz BCSLVFIJOLGVSF-CABCVRRESA-N 1 1 282.472 3.271 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCC(C)C)C1 ZINC001272204464 808800067 /nfs/dbraw/zinc/80/00/67/808800067.db2.gz FDDWRFUXAQNSMX-SJORKVTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCC(C)C)C1 ZINC001272204462 808800968 /nfs/dbraw/zinc/80/09/68/808800968.db2.gz FDDWRFUXAQNSMX-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2CC(CC)CC)C1=O ZINC001272423669 808808603 /nfs/dbraw/zinc/80/86/03/808808603.db2.gz HZCRNHQHNNEPIS-KRWDZBQOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCN1CC[C@@]2(CCC[N@H+](CCCCC)CC2)C1=O ZINC001272469511 808811033 /nfs/dbraw/zinc/81/10/33/808811033.db2.gz CDPGHFMZGDWUDL-KRWDZBQOSA-N 1 1 278.440 3.067 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@@]2(CCN(C)C2=O)C1 ZINC001272478348 808811790 /nfs/dbraw/zinc/81/17/90/808811790.db2.gz IRJMBJGVPKVNEB-KRWDZBQOSA-N 1 1 280.456 3.291 20 30 CGEDMO C=CCN1CC[C@]2(CC[N@H+](CCCCCCCC)C2)C1=O ZINC001272479170 808813502 /nfs/dbraw/zinc/81/35/02/808813502.db2.gz YUDJFPWGEHPUIT-SFHVURJKSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCN1CC[C@@]2(CCC[N@@H+](Cc3ccccc3)CC2)C1=O ZINC001272591870 808817462 /nfs/dbraw/zinc/81/74/62/808817462.db2.gz BYASQHLYDSFVQP-IBGZPJMESA-N 1 1 298.430 3.077 20 30 CGEDMO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(C)cc1C ZINC001272639882 808818532 /nfs/dbraw/zinc/81/85/32/808818532.db2.gz PDACOFZCBQETKL-QZTJIDSGSA-N 1 1 298.430 3.055 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@]12CCN(CC(C)C)C2=O ZINC001272701443 808821240 /nfs/dbraw/zinc/82/12/40/808821240.db2.gz HHUXROGZDGJVLZ-SFHVURJKSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2occc2C)CC1 ZINC001273385485 808841677 /nfs/dbraw/zinc/84/16/77/808841677.db2.gz URVFZJPXQCNXOQ-OAHLLOKOSA-N 1 1 290.407 3.139 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)CCC(=C)C)CC1 ZINC001273418431 808843548 /nfs/dbraw/zinc/84/35/48/808843548.db2.gz NZSOCQHQVHSRAR-INIZCTEOSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C(C)C)CC1 ZINC001273419835 808844111 /nfs/dbraw/zinc/84/41/11/808844111.db2.gz XZZYXGOUPIZMBL-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2CC/C=C\CC ZINC001273418823 808844134 /nfs/dbraw/zinc/84/41/34/808844134.db2.gz IUJALCIVESITHZ-XFHJGTJQSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C/C(C)=C\CC(=O)N[C@@H]1CCC[N@@H+](CC(=C)Cl)CC1 ZINC001273436861 808845604 /nfs/dbraw/zinc/84/56/04/808845604.db2.gz DONNJTGRDNYZGG-LPYTZGJOSA-N 1 1 296.842 3.232 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)c1cc(C)sc1C ZINC001273535147 808852020 /nfs/dbraw/zinc/85/20/20/808852020.db2.gz TVLNCEBYDSSYOQ-UHFFFAOYSA-N 1 1 294.464 3.335 20 30 CGEDMO C=CC[N@H+](C)CCCN(C)C(=O)c1sccc1C1CC1 ZINC001273584595 808856959 /nfs/dbraw/zinc/85/69/59/808856959.db2.gz VFKNTZJJBPJWKT-UHFFFAOYSA-N 1 1 292.448 3.205 20 30 CGEDMO C=C(C)C[N@H+]1Cc2ccc(CNC(=O)C3(C)CCC3)cc2C1 ZINC001274037557 808867552 /nfs/dbraw/zinc/86/75/52/808867552.db2.gz YWVIMDORDHOHNX-UHFFFAOYSA-N 1 1 298.430 3.385 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C[C@H](C=C)CC)C(C)(C)C1 ZINC001274446288 808876165 /nfs/dbraw/zinc/87/61/65/808876165.db2.gz OQRKFBRZOMTUQI-CVEARBPZSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)C2CC2)C[C@@H]1C ZINC001274623346 808879890 /nfs/dbraw/zinc/87/98/90/808879890.db2.gz LFDVMQPFNXOMIS-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@]2(CCN(Cc3ccc[nH]3)C2)C1 ZINC001274961774 808894674 /nfs/dbraw/zinc/89/46/74/808894674.db2.gz ALJTWPGPZOCINH-SFHVURJKSA-N 1 1 287.451 3.269 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C1(C)CCCC1 ZINC001275128094 808913163 /nfs/dbraw/zinc/91/31/63/808913163.db2.gz DLWWJLBWWZGCAN-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO CCCCCCC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C1CCCC1 ZINC001275130838 808914141 /nfs/dbraw/zinc/91/41/41/808914141.db2.gz INAMKEBCWRRAOI-MSOLQXFVSA-N 1 1 294.483 3.284 20 30 CGEDMO C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](CC)CC(C)C ZINC001275160507 808918400 /nfs/dbraw/zinc/91/84/00/808918400.db2.gz NKOJPXDPTWFKRQ-DLBZAZTESA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)CCC(F)(F)F ZINC001275528167 808944127 /nfs/dbraw/zinc/94/41/27/808944127.db2.gz MADMYNBTTZTNBH-NEPJUHHUSA-N 1 1 294.361 3.120 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)C1CCC(=C)CC1 ZINC001275636208 808954714 /nfs/dbraw/zinc/95/47/14/808954714.db2.gz AAIYKAONCNIDCH-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC(=O)NC[C@H](C)[N@@H+](C)[C@@H](C)c1ccccc1 ZINC001275780776 808965252 /nfs/dbraw/zinc/96/52/52/808965252.db2.gz HQQYRPVADSYFSP-GJZGRUSLSA-N 1 1 274.408 3.150 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1oc(C)cc1C ZINC001275800408 808966943 /nfs/dbraw/zinc/96/69/43/808966943.db2.gz JMGKVHSIJGVJOX-ZIAGYGMSSA-N 1 1 292.423 3.301 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@H](C)[N@@H+](C)CCC(C)(C)C ZINC001275842872 808970836 /nfs/dbraw/zinc/97/08/36/808970836.db2.gz CVDKKWUMUGKAKL-AWEZNQCLSA-N 1 1 282.472 3.461 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H](C)[N@@H+](C)CCC(C)C ZINC001275919450 808976798 /nfs/dbraw/zinc/97/67/98/808976798.db2.gz CVFDBPQFDLZXJM-ZBFHGGJFSA-N 1 1 268.445 3.071 20 30 CGEDMO CC#CC[N@@H+](C)[C@H](C)CNC(=O)CC1CCC(C)(C)CC1 ZINC001276021561 808985070 /nfs/dbraw/zinc/98/50/70/808985070.db2.gz UIKHFEFSTOOOCT-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)CNC(=O)c1ccc(C(C)(F)F)cc1 ZINC001276021572 808985201 /nfs/dbraw/zinc/98/52/01/808985201.db2.gz UTSMRPLQQGIPRH-GFCCVEGCSA-N 1 1 296.361 3.034 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](C[C@@H](F)CC)CC1(C)C ZINC001276586521 809018522 /nfs/dbraw/zinc/01/85/22/809018522.db2.gz KOOFRYVMHSJBIG-UONOGXRCSA-N 1 1 298.446 3.163 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)CC(C)C)C(C)(C)C1 ZINC001276616258 809021777 /nfs/dbraw/zinc/02/17/77/809021777.db2.gz VAQROINKYVABSL-CQSZACIVSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)C(F)=C1CCCC1 ZINC001276833824 809035597 /nfs/dbraw/zinc/03/55/97/809035597.db2.gz GOZHEINWIOXJSP-HIFRSBDPSA-N 1 1 294.414 3.329 20 30 CGEDMO C=CCCC[N@H+]1C[C@@]2(C)CN(C(=O)CCC=C)C[C@@]2(C)C1 ZINC001276894712 809041257 /nfs/dbraw/zinc/04/12/57/809041257.db2.gz ZCSWZTCHQORBJC-HDICACEKSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CCCC ZINC001277339962 809069722 /nfs/dbraw/zinc/06/97/22/809069722.db2.gz NFCLJXQGFIVVSW-BBWFWOEESA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C)CCC)C2)C1 ZINC001277510160 809078493 /nfs/dbraw/zinc/07/84/93/809078493.db2.gz USZDWWJPOOGOTL-CJNGLKHVSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C)CCC)C2)C1 ZINC001277510160 809078498 /nfs/dbraw/zinc/07/84/98/809078498.db2.gz USZDWWJPOOGOTL-CJNGLKHVSA-N 1 1 298.858 3.100 20 30 CGEDMO C=CCCC(=O)N1CC[C@@]2(CC[N@H+](CCCCCC)C2)C1 ZINC001277509637 809079170 /nfs/dbraw/zinc/07/91/70/809079170.db2.gz OIFFQJCGJCSGAS-GOSISDBHSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)N(CC)C(C)C ZINC001277779670 809095854 /nfs/dbraw/zinc/09/58/54/809095854.db2.gz NQQFSLKTSLHUIH-BJWYYQGGSA-N 1 1 292.467 3.168 20 30 CGEDMO CCc1cc(CN2CCC[C@]3(CC[N@@H+](C)C3)C2)ccc1C#N ZINC001278038282 809112883 /nfs/dbraw/zinc/11/28/83/809112883.db2.gz YFPSHSQPILRLQO-LJQANCHMSA-N 1 1 297.446 3.038 20 30 CGEDMO C=CC[N@@H+](C[C@H]1CCC[C@@]2(CCOC2)O1)C(C)(C)C ZINC001174642578 809114707 /nfs/dbraw/zinc/11/47/07/809114707.db2.gz WBBGBPOFAIHDFZ-ZBFHGGJFSA-N 1 1 267.413 3.001 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(C)C ZINC001278309991 809124730 /nfs/dbraw/zinc/12/47/30/809124730.db2.gz NQMVZLQJEFGKHT-CVEARBPZSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCC(=O)N[C@@]1(C)CC[N@H+](Cc2cccc(C)c2)C1 ZINC001278369385 809128977 /nfs/dbraw/zinc/12/89/77/809128977.db2.gz RLYSHDKSXOQMCK-SFHVURJKSA-N 1 1 286.419 3.042 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@]2(NC(=O)CC3CC3)CCC[C@@H]12 ZINC001278433927 809134227 /nfs/dbraw/zinc/13/42/27/809134227.db2.gz ZZBNWMMCUIEHAR-YXJHDRRASA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C2(C)CCC2)[C@@H]1C ZINC001278515207 809138474 /nfs/dbraw/zinc/13/84/74/809138474.db2.gz DPFNGGUPMZKQJE-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CCC[N@@H+](CC2CCC2)[C@@H]1C ZINC001278520091 809138889 /nfs/dbraw/zinc/13/88/89/809138889.db2.gz CCUDHQFUUVSECX-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C#CCCCCC(=O)N[C@@H]1CCC[N@H+](CCC(C)C)[C@@H]1C ZINC001278503894 809139347 /nfs/dbraw/zinc/13/93/47/809139347.db2.gz AKJJDVUFWDYRIB-IAGOWNOFSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)C(C)=C2CCC2)C1 ZINC001278658926 809149339 /nfs/dbraw/zinc/14/93/39/809149339.db2.gz PGRKEZLENAXSDR-GOSISDBHSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)C1C(C)(C)C1(C)C)C(C)C ZINC001278899075 809153712 /nfs/dbraw/zinc/15/37/12/809153712.db2.gz GETHGAHBOSRMBP-UHFFFAOYSA-N 1 1 280.456 3.023 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001174914621 809198672 /nfs/dbraw/zinc/19/86/72/809198672.db2.gz DBOUPOQGKHCDBB-PBHICJAKSA-N 1 1 294.439 3.332 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](CC)CCCCC)CC1 ZINC001280776822 809199257 /nfs/dbraw/zinc/19/92/57/809199257.db2.gz LZKVLQTZFCLENP-SJORKVTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC(C)C)C(C)(C)C1 ZINC001281536294 809213939 /nfs/dbraw/zinc/21/39/39/809213939.db2.gz HHCGXGYSHFKSPL-ZDUSSCGKSA-N 1 1 286.847 3.002 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC(C)C)C(C)(C)C1 ZINC001281536294 809213943 /nfs/dbraw/zinc/21/39/43/809213943.db2.gz HHCGXGYSHFKSPL-ZDUSSCGKSA-N 1 1 286.847 3.002 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CC(C)=C(C)C)C[C@H]1C ZINC001281669907 809217683 /nfs/dbraw/zinc/21/76/83/809217683.db2.gz KOFBKJQXVBYYBR-HZPDHXFCSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)CCC ZINC001281919818 809223421 /nfs/dbraw/zinc/22/34/21/809223421.db2.gz QFTNFFWRUPFNOX-CABCVRRESA-N 1 1 266.429 3.064 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@]1(C)C=CCC1 ZINC001281953357 809225269 /nfs/dbraw/zinc/22/52/69/809225269.db2.gz UMLSSDNXGZYGGM-FUHWJXTLSA-N 1 1 290.451 3.232 20 30 CGEDMO CC#CCN(CCCC)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001174983326 809226901 /nfs/dbraw/zinc/22/69/01/809226901.db2.gz HEQQONPXGSHIAC-UHFFFAOYSA-N 1 1 264.457 3.421 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)/C=C(\C)CC ZINC001282384384 809245245 /nfs/dbraw/zinc/24/52/45/809245245.db2.gz KMDRWKWAZJCMOJ-CYAURGIBSA-N 1 1 266.429 3.134 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCCCC[N@@H+]1CCCC ZINC001282661117 809257575 /nfs/dbraw/zinc/25/75/75/809257575.db2.gz GWRZVVOMJQEFMG-OAHLLOKOSA-N 1 1 266.429 3.114 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C2(C)CC2)C(C)(C)C1 ZINC001282808962 809263381 /nfs/dbraw/zinc/26/33/81/809263381.db2.gz ALDRBNDTWDNTSM-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](F)CC)CC1(C)C ZINC001282823175 809265216 /nfs/dbraw/zinc/26/52/16/809265216.db2.gz VYMDALLPFYSYEF-ZIAGYGMSSA-N 1 1 298.446 3.163 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H](F)CC)CC1(C)C ZINC001282823175 809265218 /nfs/dbraw/zinc/26/52/18/809265218.db2.gz VYMDALLPFYSYEF-ZIAGYGMSSA-N 1 1 298.446 3.163 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](CCCC)CC1(C)C ZINC001282823074 809265274 /nfs/dbraw/zinc/26/52/74/809265274.db2.gz OTVMMQXAJSLZHF-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](CC)CC(C)C)C2)C1 ZINC001282978278 809268098 /nfs/dbraw/zinc/26/80/98/809268098.db2.gz VTWCBRHOHMWKCJ-INIZCTEOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+]1CCCC2(CN(C(=O)CCCC3CC3)C2)C1 ZINC001282965692 809268190 /nfs/dbraw/zinc/26/81/90/809268190.db2.gz AFHFCRQILSWKKT-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)c2cscc2C)CC1 ZINC001283301758 809275311 /nfs/dbraw/zinc/27/53/11/809275311.db2.gz LBGQLBBRRMIKLO-UHFFFAOYSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)/C=C(\C)C2CC2)[C@@H]1C ZINC001284121017 809296063 /nfs/dbraw/zinc/29/60/63/809296063.db2.gz OSDVZKZTOKAPJZ-NVOIFWJYSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)[C@@H]1C[C@H]1C(C)(C)C)C(C)C ZINC001284544671 809307579 /nfs/dbraw/zinc/30/75/79/809307579.db2.gz UDSFMBDSGHYETA-HZPDHXFCSA-N 1 1 294.483 3.414 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)c1ccoc1Cl)C(C)C ZINC001284530697 809307781 /nfs/dbraw/zinc/30/77/81/809307781.db2.gz QXGKVQCDCIUJRJ-UHFFFAOYSA-N 1 1 298.814 3.292 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C(=O)C=C1CCC1)C(C)C ZINC001284531085 809308795 /nfs/dbraw/zinc/30/87/95/809308795.db2.gz ZZPXFMQWHLHPQT-UHFFFAOYSA-N 1 1 278.440 3.232 20 30 CGEDMO CCc1ccc(C)[nH+]c1Nc1ccc(N)c(C#N)c1 ZINC001213427125 815280236 /nfs/dbraw/zinc/28/02/36/815280236.db2.gz OIXNLLQAAQRBLG-UHFFFAOYSA-N 1 1 252.321 3.150 20 30 CGEDMO CCC[N@@H+]1Cc2cccc(NC(=O)CC(C)(C)C#N)c2C1 ZINC001292725648 809435977 /nfs/dbraw/zinc/43/59/77/809435977.db2.gz ZWXQQHLONRTPTE-UHFFFAOYSA-N 1 1 285.391 3.291 20 30 CGEDMO CCC[N@H+]1Cc2cccc(NC(=O)CC(C)(C)C#N)c2C1 ZINC001292725648 809435980 /nfs/dbraw/zinc/43/59/80/809435980.db2.gz ZWXQQHLONRTPTE-UHFFFAOYSA-N 1 1 285.391 3.291 20 30 CGEDMO C[N@H+]1CCC=C(Nc2ccccc2-c2ccc(C#N)cn2)C1 ZINC001175582358 809461378 /nfs/dbraw/zinc/46/13/78/809461378.db2.gz OKBZCKWBYJQDEX-UHFFFAOYSA-N 1 1 290.370 3.252 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)c1ccc(CCC)cc1 ZINC001297380094 809516061 /nfs/dbraw/zinc/51/60/61/809516061.db2.gz ULSRREPRUXXKKK-UHFFFAOYSA-N 1 1 288.435 3.219 20 30 CGEDMO Cc1cc([C@H]2CCCC[N@H+]2CCC(C)(C)C#N)[nH]n1 ZINC001176484628 809705669 /nfs/dbraw/zinc/70/56/69/809705669.db2.gz IPOIYVXBNHESOA-CQSZACIVSA-N 1 1 260.385 3.185 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H]1C[C@@]1(C)Br ZINC001181315087 810047599 /nfs/dbraw/zinc/04/75/99/810047599.db2.gz JUZXKIVJGCQVGI-QJPTWQEYSA-N 1 1 258.203 3.200 20 30 CGEDMO C=CCN(C(=O)[C@@H]1CC[N@H+](C(C)C)C1)C1CCCCC1 ZINC001181977541 810086705 /nfs/dbraw/zinc/08/67/05/810086705.db2.gz LVFFJQBXMDNSEG-OAHLLOKOSA-N 1 1 278.440 3.064 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001182604062 810117225 /nfs/dbraw/zinc/11/72/25/810117225.db2.gz CXEVDORLZBSDPA-CQSZACIVSA-N 1 1 272.348 3.057 20 30 CGEDMO CCc1cc(NC(=O)[C@@H]2CC[N@@H+]2C(C)C)cc(CC)c1C#N ZINC001182851203 810127854 /nfs/dbraw/zinc/12/78/54/810127854.db2.gz ANCYGZZCNBKRNT-KRWDZBQOSA-N 1 1 299.418 3.104 20 30 CGEDMO CCc1cc(NC(=O)[C@@H]2CC[N@H+]2C(C)C)cc(CC)c1C#N ZINC001182851203 810127856 /nfs/dbraw/zinc/12/78/56/810127856.db2.gz ANCYGZZCNBKRNT-KRWDZBQOSA-N 1 1 299.418 3.104 20 30 CGEDMO C=C(C)C[C@H]([NH2+]C[C@@H]1C(C)=CCC[C@H]1C)C(=O)OCC ZINC001183551355 810151819 /nfs/dbraw/zinc/15/18/19/810151819.db2.gz PWDYQVZDPVZPQF-OAGGEKHMSA-N 1 1 279.424 3.466 20 30 CGEDMO C=C(C)C[C@@H]([NH2+]C1CCC(CSC)CC1)C(=O)OCC ZINC001183551141 810152319 /nfs/dbraw/zinc/15/23/19/810152319.db2.gz OYXCFXUUIWOVCQ-YMAMQOFZSA-N 1 1 299.480 3.396 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cs1)CC1Cc2ccccc2C1 ZINC001184034374 810175103 /nfs/dbraw/zinc/17/51/03/810175103.db2.gz BTBYAWHXPOMSRU-UHFFFAOYSA-N 1 1 282.412 3.467 20 30 CGEDMO C[C@]12C[N@@H+](Cc3ccc(C#N)cc3F)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001184055850 810175818 /nfs/dbraw/zinc/17/58/18/810175818.db2.gz MVPPSWFOKDYQBI-JXSMBQFASA-N 1 1 282.362 3.341 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)C(C)C)[C@@H]2C1 ZINC001187272533 810391767 /nfs/dbraw/zinc/39/17/67/810391767.db2.gz MDEKIMNGULXLRF-YESZJQIVSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)CCCC(C)(C)C)[C@@H]2C1 ZINC001187288321 810393413 /nfs/dbraw/zinc/39/34/13/810393413.db2.gz IPOQOCMTOPGEMX-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C(CC)CC)[C@@H]2C1 ZINC001188396090 810480452 /nfs/dbraw/zinc/48/04/52/810480452.db2.gz IQYRTMPPVMVGEO-HYVNUMGLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)c2sccc2C)C1 ZINC001188653879 810499136 /nfs/dbraw/zinc/49/91/36/810499136.db2.gz XKBOGHOGFJECRF-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(Cl)o2)C1 ZINC001188863870 810519909 /nfs/dbraw/zinc/51/99/09/810519909.db2.gz WLZYVMMRDGONCM-LBPRGKRZSA-N 1 1 296.798 3.046 20 30 CGEDMO Cc1[nH+]ccn1Cc1ccc(C#N)cc1C(F)(F)F ZINC001188995229 810531647 /nfs/dbraw/zinc/53/16/47/810531647.db2.gz DYVYCBCZQZJXQZ-UHFFFAOYSA-N 1 1 265.238 3.130 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)/C=C(\C)C2CC2)C1 ZINC001189131818 810544683 /nfs/dbraw/zinc/54/46/83/810544683.db2.gz CYHFMKSOCIQTIH-YTLDMCMYSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]([N@H+](C)[C@H](C)c2ccccc2)C1 ZINC001189318341 810557252 /nfs/dbraw/zinc/55/72/52/810557252.db2.gz JUWKQZAYWBFRLB-WBVHZDCISA-N 1 1 286.419 3.247 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)C2CC=CC2)C1 ZINC001189500187 810572112 /nfs/dbraw/zinc/57/21/12/810572112.db2.gz OOVSPBYVLJDYNE-QGZVFWFLSA-N 1 1 290.451 3.232 20 30 CGEDMO C/C=C(\C)C(=O)N1CC[C@@H]([N@H+](C)CCCCCCC)C1 ZINC001189592838 810580997 /nfs/dbraw/zinc/58/09/97/810580997.db2.gz CGHKVRQHIHHSSM-KNDGBBJPSA-N 1 1 280.456 3.456 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)C2CC(C)C2)C1 ZINC001189604219 810581554 /nfs/dbraw/zinc/58/15/54/810581554.db2.gz QRNPXSHSQOQCIJ-OFLPRAFFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CCC3(C)CC3)[C@@H]2C1 ZINC001189640403 810583609 /nfs/dbraw/zinc/58/36/09/810583609.db2.gz OQIGEVNVJJYUTL-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](CC)C(C)(C)C)[C@@H]2C1 ZINC001189780490 810589882 /nfs/dbraw/zinc/58/98/82/810589882.db2.gz XAUDKIXUQGFJDI-ARFHVFGLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)CCCCCCCC)[C@@H]2C1 ZINC001189907217 810593984 /nfs/dbraw/zinc/59/39/84/810593984.db2.gz YQZPWBVEWDSMQN-DLBZAZTESA-N 1 1 292.467 3.456 20 30 CGEDMO C#CCCCC(=O)N1CC[C@H]([N@H+](C)CCCCCCC)C1 ZINC001189926984 810594587 /nfs/dbraw/zinc/59/45/87/810594587.db2.gz VKOJDEFXDJXGFO-KRWDZBQOSA-N 1 1 292.467 3.293 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C2CC(C)(C)C2)C1 ZINC001189944734 810596301 /nfs/dbraw/zinc/59/63/01/810596301.db2.gz SJTSYCZGCQPYMA-ZBFHGGJFSA-N 1 1 292.467 3.310 20 30 CGEDMO CC(C)C#CC(=O)N1CC[C@@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001190054575 810606033 /nfs/dbraw/zinc/60/60/33/810606033.db2.gz RTBDMVDEBRRYHK-MRXNPFEDSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)C2(C)CCCCCC2)C1 ZINC001190704687 810644169 /nfs/dbraw/zinc/64/41/69/810644169.db2.gz MLXRAAYALWVDPX-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@](C)(F)CCCC)C1 ZINC001191040938 810665369 /nfs/dbraw/zinc/66/53/69/810665369.db2.gz NFKAYIYPLOBZFX-WBVHZDCISA-N 1 1 298.446 3.404 20 30 CGEDMO C#CCOCC[N@@H+]1CCCC[C@@H]1c1cccc(C)c1C ZINC001191213721 810689458 /nfs/dbraw/zinc/68/94/58/810689458.db2.gz JXACRBRHJSERFR-GOSISDBHSA-N 1 1 271.404 3.480 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)C=C)C1 ZINC001191720335 810732779 /nfs/dbraw/zinc/73/27/79/810732779.db2.gz SBDLQSJMXSEQIJ-INIZCTEOSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001191781685 810740587 /nfs/dbraw/zinc/74/05/87/810740587.db2.gz SMJRIQGSEOKYBQ-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO CC#CCCCC(=O)N1CC[C@H]([N@H+](C)CC/C=C\CC)C1 ZINC001191859955 810752625 /nfs/dbraw/zinc/75/26/25/810752625.db2.gz UGUSXZKAHWWOMA-KMDWOBIYSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C2(C)CCCCC2)C1 ZINC001192161081 810772233 /nfs/dbraw/zinc/77/22/33/810772233.db2.gz HCHCNIBRMXCDSM-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C1CCC(C(=O)N2CC[C@@H]([N@H+](C)C[C@@H](F)CC)C2)CC1 ZINC001192180445 810773365 /nfs/dbraw/zinc/77/33/65/810773365.db2.gz IOFVHMTZSNYYFM-JKSUJKDBSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C1CCC(C(=O)N2CC[C@H]([N@@H+](C)C/C=C/Cl)C2)CC1 ZINC001192181980 810774104 /nfs/dbraw/zinc/77/41/04/810774104.db2.gz ZYKKBZIBAJGMDN-RUFWOKOUSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C2(C)CC(=C)C2)C1 ZINC001192258429 810782137 /nfs/dbraw/zinc/78/21/37/810782137.db2.gz WQDSYYZFYAFWCL-JKSUJKDBSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@H]([N@@H+](C)CC=C(C)C)C1 ZINC001192577925 810807080 /nfs/dbraw/zinc/80/70/80/810807080.db2.gz JVIXQRJVFMUUPJ-HNNXBMFYSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)CC2(C=C)CCCCC2)C1 ZINC001192818773 810823016 /nfs/dbraw/zinc/82/30/16/810823016.db2.gz RNLRHVUOJUJGHW-INIZCTEOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(CC)C[N@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001192824669 810823609 /nfs/dbraw/zinc/82/36/09/810823609.db2.gz SMAJFPYPAJEUBY-UONOGXRCSA-N 1 1 282.428 3.282 20 30 CGEDMO CCCCCCC[C@H](C)NC(=O)NC[C@@H]1CCC[N@H+]1C ZINC001192943788 810832270 /nfs/dbraw/zinc/83/22/70/810832270.db2.gz FWDVVFBVECGIST-GJZGRUSLSA-N 1 1 283.460 3.129 20 30 CGEDMO C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001193479633 810894473 /nfs/dbraw/zinc/89/44/73/810894473.db2.gz YSSHXHPTVDXTKZ-HOTGVXAUSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)[C@H]([NH2+]C/C=C\C(=O)OCC)c1ccc(F)c(F)c1 ZINC001193575211 810910554 /nfs/dbraw/zinc/91/05/54/810910554.db2.gz MPHDRAFOEQQJJK-KJPDOMRESA-N 1 1 295.329 3.291 20 30 CGEDMO C=C(C)[C@H]([NH2+]C/C=C/C(=O)OCC)c1ccc(F)c(F)c1 ZINC001193575210 810910772 /nfs/dbraw/zinc/91/07/72/810910772.db2.gz MPHDRAFOEQQJJK-JFDDCEBESA-N 1 1 295.329 3.291 20 30 CGEDMO C=C(C)[C@@H]([NH2+]C/C=C\C(=O)OCC)c1ccc(F)c(F)c1 ZINC001193575212 810911199 /nfs/dbraw/zinc/91/11/99/810911199.db2.gz MPHDRAFOEQQJJK-OGZRUICASA-N 1 1 295.329 3.291 20 30 CGEDMO C=CCCCC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001193575175 810911722 /nfs/dbraw/zinc/91/17/22/810911722.db2.gz LMXRSCIONBXJPT-AWEZNQCLSA-N 1 1 282.428 3.284 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(Cl)s2)C1 ZINC001193847514 810967586 /nfs/dbraw/zinc/96/75/86/810967586.db2.gz ZUZHMLGJHCJEGH-NSHDSACASA-N 1 1 298.839 3.124 20 30 CGEDMO C=CC[N@@H+](CCOC)CC[C@@H]1CCc2ccccc21 ZINC001193990789 810996488 /nfs/dbraw/zinc/99/64/88/810996488.db2.gz QKWOCJBPCKVDQK-INIZCTEOSA-N 1 1 259.393 3.241 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)C[C@@H](OC)C1CCCC1 ZINC001194165452 811024736 /nfs/dbraw/zinc/02/47/36/811024736.db2.gz SICLTKJWMUAAAY-GOSISDBHSA-N 1 1 271.404 3.327 20 30 CGEDMO C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@](C)(CC)CCCCC)C1 ZINC001194326267 811052886 /nfs/dbraw/zinc/05/28/86/811052886.db2.gz NHXSRINJTWMZJF-SJLPKXTDSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)C/C=C\c2ccc(C)cc2)C1 ZINC001194606057 811093189 /nfs/dbraw/zinc/09/31/89/811093189.db2.gz HEBCRLFGTBUYCT-OOFWQKGWSA-N 1 1 298.430 3.117 20 30 CGEDMO C=CCCCCC[N@H+]1CCCN(C(=O)C2CCCC2)CC1 ZINC001194612572 811095161 /nfs/dbraw/zinc/09/51/61/811095161.db2.gz OCCZBIWRKYNUPD-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@H+](CC)C(C)(C)C)cc1 ZINC001194656031 811101446 /nfs/dbraw/zinc/10/14/46/811101446.db2.gz OBVCPUPQDPJXGP-UHFFFAOYSA-N 1 1 272.392 3.117 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)CCSCC)CC1 ZINC001195016868 811186064 /nfs/dbraw/zinc/18/60/64/811186064.db2.gz LEOYTLQYTUPAPZ-OAHLLOKOSA-N 1 1 298.496 3.019 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@@H](F)C2)CC1 ZINC001195768545 811289750 /nfs/dbraw/zinc/28/97/50/811289750.db2.gz DAHMVSHDBHAHIR-HZPDHXFCSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(OC)c1C)[C@@H](C)COC ZINC001196048251 811313208 /nfs/dbraw/zinc/31/32/08/811313208.db2.gz QCJMWWHXKZKGNC-ZDUSSCGKSA-N 1 1 263.381 3.027 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C2(F)CCCC2)CC1 ZINC001196376313 811338094 /nfs/dbraw/zinc/33/80/94/811338094.db2.gz SGSXRNVUWXIKRS-OAHLLOKOSA-N 1 1 296.430 3.158 20 30 CGEDMO C#CCCCCCC[N@H+]1Cc2ccccc2[C@H](C(=O)OC)C1 ZINC001196658213 811358659 /nfs/dbraw/zinc/35/86/59/811358659.db2.gz RFSPJNHSKIKYSH-GOSISDBHSA-N 1 1 299.414 3.343 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)CC(C)=C(C)C)CC1 ZINC001196806474 811369906 /nfs/dbraw/zinc/36/99/06/811369906.db2.gz VECZHCAGGMKHPB-UHFFFAOYSA-N 1 1 278.440 3.233 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)CCCC#CC)CC1 ZINC001196846937 811372298 /nfs/dbraw/zinc/37/22/98/811372298.db2.gz REQZJLHIRFYCSH-KRWDZBQOSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001196842308 811373303 /nfs/dbraw/zinc/37/33/03/811373303.db2.gz RPVFOVPXRVBQKS-CQSZACIVSA-N 1 1 282.428 3.332 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C(C)(C)C2CC2)CC1 ZINC001196854998 811374813 /nfs/dbraw/zinc/37/48/13/811374813.db2.gz WOWKJJIYQLBGBO-OAHLLOKOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1CCC[N@@H+](CC=C(C)C)CC1 ZINC001196881573 811377915 /nfs/dbraw/zinc/37/79/15/811377915.db2.gz UEZOITRWHAOYLM-MRXNPFEDSA-N 1 1 278.440 3.089 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC[N@H+](C[C@H](C)CC)CC1 ZINC001196889319 811378327 /nfs/dbraw/zinc/37/83/27/811378327.db2.gz BTVWOMAWQSUICC-CVEARBPZSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCCC(=O)N1CCC[N@@H+](CC2=CCCCC2)CC1 ZINC001196984931 811389105 /nfs/dbraw/zinc/38/91/05/811389105.db2.gz XPSYOWYAQHMHGQ-UHFFFAOYSA-N 1 1 290.451 3.377 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)C2(CCCC)CC2)CC1 ZINC001197076322 811397464 /nfs/dbraw/zinc/39/74/64/811397464.db2.gz FGHQDZXFBCYXHM-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)C[C@H](C)CCC=C(C)C)CC1 ZINC001197218452 811405945 /nfs/dbraw/zinc/40/59/45/811405945.db2.gz OYFPJOOLSKPAOO-QGZVFWFLSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)[C@H](C)CCC(C)(C)C)CC1 ZINC001197832764 811455456 /nfs/dbraw/zinc/45/54/56/811455456.db2.gz NXQJGTZRCGJPSP-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C#CC[N@H+](C[C@@H](OC)c1ccc(F)cc1)C(C)(C)C ZINC001197937929 811466569 /nfs/dbraw/zinc/46/65/69/811466569.db2.gz UCDOHHOSMLPVFE-OAHLLOKOSA-N 1 1 263.356 3.247 20 30 CGEDMO C#CCC[N@@H+]1CCCN(C(=O)C(C)(C)CC(C)(C)C)CC1 ZINC001198205467 811484357 /nfs/dbraw/zinc/48/43/57/811484357.db2.gz XYWDQYNGIMSPTM-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCC[C@@H]1CCC[N@H+]1Cc1nc(C2CCC2)no1 ZINC001198414398 811498979 /nfs/dbraw/zinc/49/89/79/811498979.db2.gz QBLOIZKPSHKMPL-CYBMUJFWSA-N 1 1 261.369 3.268 20 30 CGEDMO CCC[C@@H]1CCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC001198422365 811500517 /nfs/dbraw/zinc/50/05/17/811500517.db2.gz YIOGFTOVODSUSZ-OAHLLOKOSA-N 1 1 258.365 3.353 20 30 CGEDMO CCCCCCCCCCC[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC001201631008 811925576 /nfs/dbraw/zinc/92/55/76/811925576.db2.gz KRVSXYSFTZQUKU-IRXDYDNUSA-N 1 1 285.472 3.192 20 30 CGEDMO CCCCCCCCCCC[N@@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC001201631334 811925623 /nfs/dbraw/zinc/92/56/23/811925623.db2.gz QEWPEGRWWROMRC-GJZGRUSLSA-N 1 1 286.435 3.415 20 30 CGEDMO CCCCCCCCCCC[N@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC001201631334 811925627 /nfs/dbraw/zinc/92/56/27/811925627.db2.gz QEWPEGRWWROMRC-GJZGRUSLSA-N 1 1 286.435 3.415 20 30 CGEDMO CCCCCCCCCCC[N@H+]1CC[C@@H](C(N)=O)C1 ZINC001201630525 811926216 /nfs/dbraw/zinc/92/62/16/811926216.db2.gz BWMXRSVSKOHTCS-OAHLLOKOSA-N 1 1 268.445 3.324 20 30 CGEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](CCCCCC)C2 ZINC001201754804 811960468 /nfs/dbraw/zinc/96/04/68/811960468.db2.gz IZBBEUSCVIBOEE-IRXDYDNUSA-N 1 1 281.440 3.393 20 30 CGEDMO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](CCCCCC)C2 ZINC001201754803 811960865 /nfs/dbraw/zinc/96/08/65/811960865.db2.gz IZBBEUSCVIBOEE-IAGOWNOFSA-N 1 1 281.440 3.393 20 30 CGEDMO CCCCCCC[N@@H+](C)CCNC(=O)OC(C)(C)C ZINC001201761546 811962879 /nfs/dbraw/zinc/96/28/79/811962879.db2.gz IXCJNCVFKQVLPI-UHFFFAOYSA-N 1 1 272.433 3.413 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@]2(CCN2c2ncccn2)C1 ZINC001201762466 811963513 /nfs/dbraw/zinc/96/35/13/811963513.db2.gz MBRBTPVSYIRVMP-QGZVFWFLSA-N 1 1 288.439 3.102 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](Oc2ncc(F)cn2)C1 ZINC001201798649 811965998 /nfs/dbraw/zinc/96/59/98/811965998.db2.gz YMAUMOZXACILKK-CQSZACIVSA-N 1 1 281.375 3.039 20 30 CGEDMO Cc1[nH+]c2c(Nc3cnc(C#N)c(F)c3)cccn2c1C ZINC001203054915 812229638 /nfs/dbraw/zinc/22/96/38/812229638.db2.gz AEZCTXGETFAXQU-UHFFFAOYSA-N 1 1 281.294 3.101 20 30 CGEDMO Cc1ccccc1C[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001203700199 812432168 /nfs/dbraw/zinc/43/21/68/812432168.db2.gz LOPOBDXANUIURI-UHFFFAOYSA-N 1 1 262.356 3.425 20 30 CGEDMO Cc1ccc(C)c(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)c1 ZINC001203743153 812449662 /nfs/dbraw/zinc/44/96/62/812449662.db2.gz MZOPPGKLNZODNT-HNNXBMFYSA-N 1 1 273.401 3.078 20 30 CGEDMO Cc1ccc(C)c(C[N@@H+]2CCC3SC(=O)C=C3C2)c1 ZINC001203743153 812449663 /nfs/dbraw/zinc/44/96/63/812449663.db2.gz MZOPPGKLNZODNT-HNNXBMFYSA-N 1 1 273.401 3.078 20 30 CGEDMO Cc1ccc(C)c(C[N@H+]2CCC3SC(=O)C=C3C2)c1 ZINC001203743153 812449665 /nfs/dbraw/zinc/44/96/65/812449665.db2.gz MZOPPGKLNZODNT-HNNXBMFYSA-N 1 1 273.401 3.078 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@H](C#N)CC2)cc1C ZINC001203899552 812486488 /nfs/dbraw/zinc/48/64/88/812486488.db2.gz MWKZIWQUNJOFSO-AWEZNQCLSA-N 1 1 258.365 3.129 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(F)c1F ZINC001204198655 812572279 /nfs/dbraw/zinc/57/22/79/812572279.db2.gz WZTLPVOWFLXBSQ-UOJUARBOSA-N 1 1 262.303 3.231 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(F)c1F ZINC001204198655 812572282 /nfs/dbraw/zinc/57/22/82/812572282.db2.gz WZTLPVOWFLXBSQ-UOJUARBOSA-N 1 1 262.303 3.231 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](CF)C2)cc1 ZINC001204299869 812604514 /nfs/dbraw/zinc/60/45/14/812604514.db2.gz CNZGMHSBQSWGHV-HNNXBMFYSA-N 1 1 263.356 3.433 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCOC[C@H]2C(C)C)cc1 ZINC001204303274 812605077 /nfs/dbraw/zinc/60/50/77/812605077.db2.gz FDIWTAYKBVMSIV-KRWDZBQOSA-N 1 1 275.392 3.108 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204320895 812610949 /nfs/dbraw/zinc/61/09/49/812610949.db2.gz CSGGPFGFVQIKSB-MRXNPFEDSA-N 1 1 269.392 3.022 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204320895 812610953 /nfs/dbraw/zinc/61/09/53/812610953.db2.gz CSGGPFGFVQIKSB-MRXNPFEDSA-N 1 1 269.392 3.022 20 30 CGEDMO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2csc(C#N)c2)C1(C)C ZINC001204359819 812620463 /nfs/dbraw/zinc/62/04/63/812620463.db2.gz RJIZUIPUZXPCHH-ZFWWWQNUSA-N 1 1 278.421 3.255 20 30 CGEDMO CC(C)=CCO[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001205025911 812831152 /nfs/dbraw/zinc/83/11/52/812831152.db2.gz PLSIPTSLEMGBMS-KRWDZBQOSA-N 1 1 270.376 3.115 20 30 CGEDMO CC[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2N(C)C)[C@H]1C ZINC001205472208 812989445 /nfs/dbraw/zinc/98/94/45/812989445.db2.gz XSQWYZNXSZLHED-ZFWWWQNUSA-N 1 1 271.408 3.245 20 30 CGEDMO CC(C)(C)[C@]1(CNCCC#N)CC[N@@H+](Cc2ccccc2)C1 ZINC001205561767 813005105 /nfs/dbraw/zinc/00/51/05/813005105.db2.gz JXQNPLLHUCPSCA-IBGZPJMESA-N 1 1 299.462 3.428 20 30 CGEDMO C[C@@H]1CCN(Cc2c(Cl)cccc2C#N)CC[C@H]1C[NH3+] ZINC001205626670 813031673 /nfs/dbraw/zinc/03/16/73/813031673.db2.gz HWMIAPDHVAWGJZ-OLZOCXBDSA-N 1 1 291.826 3.018 20 30 CGEDMO C[C@@H](c1ccccn1)[N@H+]1CCC[C@H](OCCCCC#N)C1 ZINC001205672101 813047575 /nfs/dbraw/zinc/04/75/75/813047575.db2.gz HWGNXQUEOOSMKM-HOTGVXAUSA-N 1 1 287.407 3.317 20 30 CGEDMO C=CCCCCCCN1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205762393 813069534 /nfs/dbraw/zinc/06/95/34/813069534.db2.gz LURCYWZBXWTWGU-ZDUSSCGKSA-N 1 1 260.372 3.039 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC2CCCC2)C1 ZINC001205827736 813098272 /nfs/dbraw/zinc/09/82/72/813098272.db2.gz VINUXOQYHGTIIG-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@H]([NH2+]C[C@@H](C)CC(C)C)C(=O)OCC ZINC001205849336 813106812 /nfs/dbraw/zinc/10/68/12/813106812.db2.gz OUTIVMFKAFEKHT-KBPBESRZSA-N 1 1 255.402 3.156 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C=C2CCCCC2)C1 ZINC001206314739 813285775 /nfs/dbraw/zinc/28/57/75/813285775.db2.gz XFNWPHFQOXWXAS-NVXWUHKLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)/C(C)=C\CC)C1 ZINC001206350115 813301057 /nfs/dbraw/zinc/30/10/57/813301057.db2.gz IYHJCJUWUCXQNE-ZRFYOHCESA-N 1 1 278.440 3.134 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC(C)(C)C)C1 ZINC001206592585 813367824 /nfs/dbraw/zinc/36/78/24/813367824.db2.gz QPKNGQLLJOWEGJ-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)/C=C\C2CC2)C1 ZINC001206789630 813438062 /nfs/dbraw/zinc/43/80/62/813438062.db2.gz FAPGXICEKXGJSJ-LMFNXRSWSA-N 1 1 290.451 3.136 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)on2)CC1 ZINC001206845606 813450430 /nfs/dbraw/zinc/45/04/30/813450430.db2.gz AWOQMLCIRHYKJR-CQSZACIVSA-N 1 1 281.359 3.467 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)on2)CC1 ZINC001206845606 813450433 /nfs/dbraw/zinc/45/04/33/813450433.db2.gz AWOQMLCIRHYKJR-CQSZACIVSA-N 1 1 281.359 3.467 20 30 CGEDMO CCn1ccnc1C[NH+]1CCC(C#Cc2ccccc2)CC1 ZINC001207147546 813498324 /nfs/dbraw/zinc/49/83/24/813498324.db2.gz HXIZKGGSGMIMHZ-UHFFFAOYSA-N 1 1 293.414 3.167 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC(C)(C)C=C)C1 ZINC001207165356 813501334 /nfs/dbraw/zinc/50/13/34/813501334.db2.gz KOOBYOYYGJEZJP-BZUAXINKSA-N 1 1 292.467 3.380 20 30 CGEDMO CC#CC[N@H+](C)Cc1ccc(N(C)c2ccccc2)nc1 ZINC001207715825 813639833 /nfs/dbraw/zinc/63/98/33/813639833.db2.gz NUQWUIGDUBCWCY-UHFFFAOYSA-N 1 1 279.387 3.305 20 30 CGEDMO CC#CC[N@@H+](C)Cc1ccc(N(C)c2ccccc2)nc1 ZINC001207715825 813639838 /nfs/dbraw/zinc/63/98/38/813639838.db2.gz NUQWUIGDUBCWCY-UHFFFAOYSA-N 1 1 279.387 3.305 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2(C)CCCCC2)C1 ZINC001207946707 813676483 /nfs/dbraw/zinc/67/64/83/813676483.db2.gz LRYCUVSWJWCBNB-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCOC(=O)N[C@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC001208093142 813691873 /nfs/dbraw/zinc/69/18/73/813691873.db2.gz MQWCMLLOPFHRHU-INIZCTEOSA-N 1 1 294.439 3.333 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001208118603 813696856 /nfs/dbraw/zinc/69/68/56/813696856.db2.gz MFQIZBDQESDDPY-OFAQMXQXSA-N 1 1 280.456 3.456 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC001208119033 813697431 /nfs/dbraw/zinc/69/74/31/813697431.db2.gz VKMFYILEGRWXMU-XVJNWHFHSA-N 1 1 266.429 3.100 20 30 CGEDMO CCCCCCC/C=C/CN1CCN(CC[NH+](C)C)CC1 ZINC001208120205 813697570 /nfs/dbraw/zinc/69/75/70/813697570.db2.gz NUSLQTLWWOAITB-ZHACJKMWSA-N 1 1 295.515 3.082 20 30 CGEDMO CCCCCCC/C=C/C[N@@H+](CC)CCC(N)=O ZINC001208118992 813698013 /nfs/dbraw/zinc/69/80/13/813698013.db2.gz VBGTYGNIQWJNOM-ZHACJKMWSA-N 1 1 254.418 3.100 20 30 CGEDMO CCCCCCC/C=C/C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC001208120468 813698458 /nfs/dbraw/zinc/69/84/58/813698458.db2.gz QHNUZFYWYQOKOZ-KBOKABMXSA-N 1 1 281.440 3.394 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CCO[C@]2(CCOC2)C1 ZINC001208120468 813698461 /nfs/dbraw/zinc/69/84/61/813698461.db2.gz QHNUZFYWYQOKOZ-KBOKABMXSA-N 1 1 281.440 3.394 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+](CC)CCC(=O)OC)CC1 ZINC001208176314 813726902 /nfs/dbraw/zinc/72/69/02/813726902.db2.gz BQKOGIDICGKFJE-OAHLLOKOSA-N 1 1 265.397 3.174 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCOC3(CCOCC3)C2)CC1 ZINC001208178123 813728371 /nfs/dbraw/zinc/72/83/71/813728371.db2.gz KOBBHTIMXBDCDO-QGZVFWFLSA-N 1 1 291.435 3.170 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)CC1 ZINC001208178575 813728817 /nfs/dbraw/zinc/72/88/17/813728817.db2.gz RTYDBKINXYASKP-ZACQAIPSSA-N 1 1 261.409 3.400 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+](C)[C@@H]2CCCN(C(C)=O)C2)CC1 ZINC001208177827 813729355 /nfs/dbraw/zinc/72/93/55/813729355.db2.gz GRRRGNLNTHCTOQ-QZTJIDSGSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+](CC)[C@@H](C)C(=O)OC)CC1 ZINC001208179379 813730905 /nfs/dbraw/zinc/73/09/05/813730905.db2.gz XETFRFOVUUVDGD-DZGCQCFKSA-N 1 1 265.397 3.172 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+](CC)[C@@H](C)C(=O)OC)CC1 ZINC001208179379 813730907 /nfs/dbraw/zinc/73/09/07/813730907.db2.gz XETFRFOVUUVDGD-DZGCQCFKSA-N 1 1 265.397 3.172 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCF)C1 ZINC001208341932 813755066 /nfs/dbraw/zinc/75/50/66/813755066.db2.gz CWNADZZSIQGVSW-HUUCEWRRSA-N 1 1 286.435 3.143 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C)CCCCC2)C1 ZINC001208482704 813763953 /nfs/dbraw/zinc/76/39/53/813763953.db2.gz OFYAKIWUYLZHTB-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C ZINC001208511696 813764862 /nfs/dbraw/zinc/76/48/62/813764862.db2.gz GHEQZTHQKLADTJ-IIDMSEBBSA-N 1 1 294.483 3.461 20 30 CGEDMO O=C1C=C2C[N@@H+](CCCc3ccc(F)cc3)CCC2S1 ZINC001208765217 813834510 /nfs/dbraw/zinc/83/45/10/813834510.db2.gz LOVHGMBRZKUERL-HNNXBMFYSA-N 1 1 291.391 3.032 20 30 CGEDMO CC[C@H](CCC(=O)OC)C[N@@H+](CCC#N)C1CCCC1 ZINC001208787613 813847397 /nfs/dbraw/zinc/84/73/97/813847397.db2.gz KFNDZOUHKJKYPW-CQSZACIVSA-N 1 1 280.412 3.124 20 30 CGEDMO C[N@@H+]1CC=C(Nc2ccc(C#N)c3ccccc23)CC1 ZINC001208837495 813860238 /nfs/dbraw/zinc/86/02/38/813860238.db2.gz JWMLLKOKRDREJC-UHFFFAOYSA-N 1 1 263.344 3.343 20 30 CGEDMO C[C@H]1C[C@@H](CF)[N@@H+](CCCc2cccc(C#N)c2)C1 ZINC001208844327 813865255 /nfs/dbraw/zinc/86/52/55/813865255.db2.gz HEASVXZSUYGWCP-BBRMVZONSA-N 1 1 260.356 3.171 20 30 CGEDMO C[N@H+](CCCc1cccc(C#N)c1)Cc1nccs1 ZINC001208850955 813866886 /nfs/dbraw/zinc/86/68/86/813866886.db2.gz PNNGOYUHXMESEU-UHFFFAOYSA-N 1 1 271.389 3.079 20 30 CGEDMO C[N@@H+](CCCc1cccc(C#N)c1)Cc1nccs1 ZINC001208850955 813866893 /nfs/dbraw/zinc/86/68/93/813866893.db2.gz PNNGOYUHXMESEU-UHFFFAOYSA-N 1 1 271.389 3.079 20 30 CGEDMO N#Cc1ccc(CCC[N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)cc1 ZINC001208856918 813870361 /nfs/dbraw/zinc/87/03/61/813870361.db2.gz UCUXSLKAEWDGKE-IYBDPMFKSA-N 1 1 290.357 3.468 20 30 CGEDMO N#Cc1ccc(CCC[N@@H+]2CCC[C@H](F)CC2)cc1 ZINC001208860476 813871133 /nfs/dbraw/zinc/87/11/33/813871133.db2.gz MLEARYRZTSMBEA-INIZCTEOSA-N 1 1 260.356 3.315 20 30 CGEDMO C[C@H]1C(=O)CC[N@@H+](CCc2ccc(C#N)cc2)C12CCCC2 ZINC001208928746 813903787 /nfs/dbraw/zinc/90/37/87/813903787.db2.gz KTERFRZSCOVTPG-HNNXBMFYSA-N 1 1 296.414 3.324 20 30 CGEDMO C[C@]1(C#N)CCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208944211 813907457 /nfs/dbraw/zinc/90/74/57/813907457.db2.gz OPPIDWBCTHEMLL-RTBURBONSA-N 1 1 297.446 3.134 20 30 CGEDMO C=CCC[N@H+](CCCOCOC)Cc1ccccc1 ZINC001209030552 813918810 /nfs/dbraw/zinc/91/88/10/813918810.db2.gz WDVPJVCPTWSHIF-UHFFFAOYSA-N 1 1 263.381 3.075 20 30 CGEDMO C[N@H+](CCC#N)CCc1ccc(C(F)(F)F)cc1 ZINC001209123824 813940969 /nfs/dbraw/zinc/94/09/69/813940969.db2.gz JLIOYRPWNAOOQZ-UHFFFAOYSA-N 1 1 256.271 3.093 20 30 CGEDMO C[N@@H+](CCC#N)CCc1ccc(C(F)(F)F)cc1 ZINC001209123824 813940975 /nfs/dbraw/zinc/94/09/75/813940975.db2.gz JLIOYRPWNAOOQZ-UHFFFAOYSA-N 1 1 256.271 3.093 20 30 CGEDMO N#Cc1ccc2c(c1)CC[N@H+](CCc1cc(F)cc(F)c1)C2 ZINC001209127874 813943372 /nfs/dbraw/zinc/94/33/72/813943372.db2.gz HVSMWJGCZLWTEP-UHFFFAOYSA-N 1 1 298.336 3.437 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC(C)(C)C ZINC001209160097 813951155 /nfs/dbraw/zinc/95/11/55/813951155.db2.gz DQXWAJUPTYSBRN-KKUMJFAQSA-N 1 1 279.424 3.395 20 30 CGEDMO C=CCCC[N@@H+]1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001209163666 813953132 /nfs/dbraw/zinc/95/31/32/813953132.db2.gz GUXGTBMCHJBKRM-NSHDSACASA-N 1 1 259.275 3.309 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]2O[C@@H](COCC3CC3)CC[C@H]21 ZINC001209161872 813953987 /nfs/dbraw/zinc/95/39/87/813953987.db2.gz OWTJCTRVVYOECY-BRWVUGGUSA-N 1 1 279.424 3.001 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@@H]2[C@H]1CN2C(=O)OC(C)(C)C ZINC001209200832 813965058 /nfs/dbraw/zinc/96/50/58/813965058.db2.gz PIEJXFHGQVVRDI-HUUCEWRRSA-N 1 1 294.439 3.426 20 30 CGEDMO C=CCCCC[N@H+]1Cc2nn(CC)cc2[C@@H](COCC)C1 ZINC001209201139 813965321 /nfs/dbraw/zinc/96/53/21/813965321.db2.gz VMTGGQMZNQWRMP-OAHLLOKOSA-N 1 1 291.439 3.195 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@@]2(C[C@@H](OCC=C)CO2)C1 ZINC001209202931 813966301 /nfs/dbraw/zinc/96/63/01/813966301.db2.gz RPRLKCRKRLCXCE-IAGOWNOFSA-N 1 1 279.424 3.169 20 30 CGEDMO C#CCCC[N@@H+]1CCSC[C@@H]1c1cccc(OC)c1 ZINC001209267546 813988941 /nfs/dbraw/zinc/98/89/41/813988941.db2.gz IWTWKXXGAGPPIH-MRXNPFEDSA-N 1 1 275.417 3.199 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@H]1c1ccc(C(=O)OC)cc1 ZINC001209269275 813989773 /nfs/dbraw/zinc/98/97/73/813989773.db2.gz SXQNQPDGVCZFLU-INIZCTEOSA-N 1 1 271.360 3.024 20 30 CGEDMO C#CCCC[N@H+](Cc1cc(C)no1)Cc1ccccc1 ZINC001209270018 813989992 /nfs/dbraw/zinc/98/99/92/813989992.db2.gz UDEJBOOKAIESQO-UHFFFAOYSA-N 1 1 268.360 3.399 20 30 CGEDMO C[C@H]1CC(C[N@H+]2CCc3ccc(C#N)cc3C2)C[C@H](C)O1 ZINC001209385637 814009630 /nfs/dbraw/zinc/00/96/30/814009630.db2.gz YALVBYNZCSICEP-KBPBESRZSA-N 1 1 284.403 3.120 20 30 CGEDMO C=CCCCCCC[N@H+]1CCC2SC(=O)C=C2C1 ZINC001209436316 814036197 /nfs/dbraw/zinc/03/61/97/814036197.db2.gz TZUUOJIQVCIDQR-AWEZNQCLSA-N 1 1 265.422 3.397 20 30 CGEDMO C=CCCCCCC[N@H+](CCOC)C1CCN(C)CC1 ZINC001209436881 814037709 /nfs/dbraw/zinc/03/77/09/814037709.db2.gz YOGPBMAMYKFJCK-UHFFFAOYSA-N 1 1 282.472 3.166 20 30 CGEDMO C=CCCCCCCC[NH+]1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001209439657 814038199 /nfs/dbraw/zinc/03/81/99/814038199.db2.gz USNWVTNDQNXYTK-ZWKOTPCHSA-N 1 1 294.483 3.166 20 30 CGEDMO C=CCCCCCCC[N@@H+]1C[C@@H]2C[NH+](CC)CCO[C@@H]2C1 ZINC001209439657 814038203 /nfs/dbraw/zinc/03/82/03/814038203.db2.gz USNWVTNDQNXYTK-ZWKOTPCHSA-N 1 1 294.483 3.166 20 30 CGEDMO C=CCCCCCCCN1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001209439657 814038212 /nfs/dbraw/zinc/03/82/12/814038212.db2.gz USNWVTNDQNXYTK-ZWKOTPCHSA-N 1 1 294.483 3.166 20 30 CGEDMO C=CCCCCCCCN1C[C@@H]2C[N@@H+](CC)CCO[C@@H]2C1 ZINC001209439657 814038221 /nfs/dbraw/zinc/03/82/21/814038221.db2.gz USNWVTNDQNXYTK-ZWKOTPCHSA-N 1 1 294.483 3.166 20 30 CGEDMO C=CCCCCCCCC[N@H+]1CC[C@H](F)[C@H](O)C1 ZINC001209443539 814042977 /nfs/dbraw/zinc/04/29/77/814042977.db2.gz UXSOZYHSOMWKDK-LSDHHAIUSA-N 1 1 257.393 3.308 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CCCC[C@@H]1C(N)=O ZINC001209444676 814045084 /nfs/dbraw/zinc/04/50/84/814045084.db2.gz XODYGHXFHAZDFW-OAHLLOKOSA-N 1 1 266.429 3.243 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CC[C@H](OCC(=O)OC)C1 ZINC001209445772 814045210 /nfs/dbraw/zinc/04/52/10/814045210.db2.gz NEPOUMZSVJPQHL-INIZCTEOSA-N 1 1 297.439 3.167 20 30 CGEDMO C=C(C)c1cccc(NC(=O)NCC[N@@H+]2CCC[C@@H]2C)c1 ZINC001210299381 814392005 /nfs/dbraw/zinc/39/20/05/814392005.db2.gz ICDNFECUNWYYPY-AWEZNQCLSA-N 1 1 287.407 3.326 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](CC)C(C)C)C1 ZINC001210421974 814451322 /nfs/dbraw/zinc/45/13/22/814451322.db2.gz SDSGORYBUKQGAE-IXDOHACOSA-N 1 1 294.483 3.461 20 30 CGEDMO CCCCCCCCC(=O)N[C@@H]1C[N@H+](CCF)C[C@H]1C ZINC001210546859 814518611 /nfs/dbraw/zinc/51/86/11/814518611.db2.gz BQNVGBWYIWNVTG-HUUCEWRRSA-N 1 1 286.435 3.143 20 30 CGEDMO CCCCCCCCC(=O)N[C@@H]1C[N@@H+](CCF)C[C@H]1C ZINC001210546859 814518617 /nfs/dbraw/zinc/51/86/17/814518617.db2.gz BQNVGBWYIWNVTG-HUUCEWRRSA-N 1 1 286.435 3.143 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CCC)CC(C)C)C1 ZINC001211405761 814889239 /nfs/dbraw/zinc/88/92/39/814889239.db2.gz DXYUFQRKAWMWGT-BRWVUGGUSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2C[N@@H+](CC(C)C)C[C@H]2C)CCCC1 ZINC001211495016 814896509 /nfs/dbraw/zinc/89/65/09/814896509.db2.gz BXWBDMBHINGTPT-HZPDHXFCSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)/C(C)=C\CC)[C@@H]2C1 ZINC001221370928 816312271 /nfs/dbraw/zinc/31/22/71/816312271.db2.gz AXGLWCQNQILHDW-WEFDWMGESA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCCC(=O)N1C[C@H]2CC[N@@H+](CCCC3CCC3)C[C@H]21 ZINC001221429311 816313137 /nfs/dbraw/zinc/31/31/37/816313137.db2.gz RPYGUNDHXACLEP-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)CC(C)(C)C)[C@@H]2C1 ZINC001221833690 816329424 /nfs/dbraw/zinc/32/94/24/816329424.db2.gz XJCOOCXOVAWQDA-BZUAXINKSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCC)C[C@@H]21 ZINC001222185222 816370720 /nfs/dbraw/zinc/37/07/20/816370720.db2.gz JGUPYGPDVJRJHM-SJORKVTESA-N 1 1 292.467 3.456 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CC[C@H](OCC2CCCC2)C1 ZINC001222708643 816505561 /nfs/dbraw/zinc/50/55/61/816505561.db2.gz PMERSPXDKQRUNP-SFHVURJKSA-N 1 1 284.403 3.339 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CC[C@H](OCC2CCCC2)C1 ZINC001222708643 816505566 /nfs/dbraw/zinc/50/55/66/816505566.db2.gz PMERSPXDKQRUNP-SFHVURJKSA-N 1 1 284.403 3.339 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCCCC(C)C)C[C@@H]21 ZINC001223707634 816668927 /nfs/dbraw/zinc/66/89/27/816668927.db2.gz VTVZUIMGCVTFIW-SJORKVTESA-N 1 1 292.467 3.312 20 30 CGEDMO C[N@H+]1CCC[C@@H](OCc2ccc(C#N)c3ccccc23)C1 ZINC001224024767 816722837 /nfs/dbraw/zinc/72/28/37/816722837.db2.gz LNSIJNNREYJHGK-MRXNPFEDSA-N 1 1 280.371 3.322 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCCCCC)C[C@@H]21 ZINC001224069165 816731138 /nfs/dbraw/zinc/73/11/38/816731138.db2.gz BCIDCQCQSNQXLE-SJORKVTESA-N 1 1 292.467 3.456 20 30 CGEDMO CCCCCCCCCO[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001224392708 816792637 /nfs/dbraw/zinc/79/26/37/816792637.db2.gz NOUZJIVCJDEPER-FHORWPOSSA-N 1 1 281.440 3.366 20 30 CGEDMO CCCCCCCCCO[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001224392708 816792645 /nfs/dbraw/zinc/79/26/45/816792645.db2.gz NOUZJIVCJDEPER-FHORWPOSSA-N 1 1 281.440 3.366 20 30 CGEDMO C=CCCCO[C@@H]1CCCN(c2ccc(C)c[nH+]2)C1 ZINC001224510807 816816288 /nfs/dbraw/zinc/81/62/88/816816288.db2.gz DQLGPRDYFBTGCP-OAHLLOKOSA-N 1 1 260.381 3.342 20 30 CGEDMO C=CCCCOC1CCN(c2cc(C)cc[nH+]2)CC1 ZINC001224509879 816816390 /nfs/dbraw/zinc/81/63/90/816816390.db2.gz SBYAVDCREWZODE-UHFFFAOYSA-N 1 1 260.381 3.342 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001224913314 816909058 /nfs/dbraw/zinc/90/90/58/816909058.db2.gz BCZIVEUCKKECHB-GJZGRUSLSA-N 1 1 295.471 3.151 20 30 CGEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC001225353351 817023283 /nfs/dbraw/zinc/02/32/83/817023283.db2.gz LDDJCDNMDUICHD-QGZVFWFLSA-N 1 1 296.345 3.351 20 30 CGEDMO Cc1c(C#N)ccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C ZINC001225518121 817081951 /nfs/dbraw/zinc/08/19/51/817081951.db2.gz SEIGBZOYIZJUOU-ZSHCYNCHSA-N 1 1 270.376 3.179 20 30 CGEDMO CC(C)(C)[NH+]1CC(Oc2cc(Cl)cc(C#N)c2)C1 ZINC001225698682 817146845 /nfs/dbraw/zinc/14/68/45/817146845.db2.gz XWCOTAILPQEGJO-UHFFFAOYSA-N 1 1 264.756 3.073 20 30 CGEDMO COc1cccc(CC#N)c1O[C@H]1CCC[N@H+](C(C)C)C1 ZINC001225842104 817194416 /nfs/dbraw/zinc/19/44/16/817194416.db2.gz UVGOCTFAVVIGBJ-HNNXBMFYSA-N 1 1 288.391 3.013 20 30 CGEDMO CC(C)[NH+]1CC(Oc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC001226143177 817284288 /nfs/dbraw/zinc/28/42/88/817284288.db2.gz PVBYUSPSMCPFKK-UHFFFAOYSA-N 1 1 284.281 3.048 20 30 CGEDMO Cc1cc(C#N)cc(C)c1O[C@@H]1CC[N@H+](C(C)C)C1 ZINC001226525465 817386806 /nfs/dbraw/zinc/38/68/06/817386806.db2.gz CDOXCDBSSGSSBB-OAHLLOKOSA-N 1 1 258.365 3.037 20 30 CGEDMO CC(C)(C)[NH+]1CCC(Oc2nc3ccc(C#N)cc3[nH]2)CC1 ZINC001227218654 817595385 /nfs/dbraw/zinc/59/53/85/817595385.db2.gz HIQYRVUDJZMCEK-UHFFFAOYSA-N 1 1 298.390 3.076 20 30 CGEDMO CC(=O)/C=C\c1ccc(O[C@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)cc1 ZINC001228495184 817921490 /nfs/dbraw/zinc/92/14/90/817921490.db2.gz YFEGXSJATOGBTB-WJOUSBMRSA-N 1 1 299.414 3.398 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)Cc1cccs1 ZINC001231242580 818064592 /nfs/dbraw/zinc/06/45/92/818064592.db2.gz CMJFOURFKWRLEL-CQSZACIVSA-N 1 1 294.464 3.083 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)c1sccc1C ZINC001231285422 818069440 /nfs/dbraw/zinc/06/94/40/818069440.db2.gz BYAZIWQAHMIAJZ-AWEZNQCLSA-N 1 1 294.464 3.463 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)CC1CCCC1 ZINC001231378560 818086912 /nfs/dbraw/zinc/08/69/12/818086912.db2.gz GABKDTFTVRCNSD-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C[C@@]1(O)CC[N@@H+](Cc2ccccc2C#Cc2ccccc2)C1 ZINC001231577070 818125826 /nfs/dbraw/zinc/12/58/26/818125826.db2.gz OYKDEVLXXXGWJG-HXUWFJFHSA-N 1 1 291.394 3.043 20 30 CGEDMO C[N@@H+](Cc1ccccc1C#Cc1ccccc1)[C@H]1CCOC1 ZINC001231578929 818127867 /nfs/dbraw/zinc/12/78/67/818127867.db2.gz UTKHDHFUKBIUDD-FQEVSTJZSA-N 1 1 291.394 3.307 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@](C)(F)CC1 ZINC001231616411 818138874 /nfs/dbraw/zinc/13/88/74/818138874.db2.gz CBCRDWHFCOOYTF-INIZCTEOSA-N 1 1 276.355 3.281 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC001231658975 818150856 /nfs/dbraw/zinc/15/08/56/818150856.db2.gz CCZNEBHHCAJUTM-GOSISDBHSA-N 1 1 262.356 3.400 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)c1 ZINC001231659902 818152281 /nfs/dbraw/zinc/15/22/81/818152281.db2.gz WRQQAPUYKZOJAK-QGZVFWFLSA-N 1 1 299.414 3.222 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)c1 ZINC001231659923 818152585 /nfs/dbraw/zinc/15/25/85/818152585.db2.gz XAJQHZBJMLYDBR-CYBMUJFWSA-N 1 1 253.267 3.052 20 30 CGEDMO C#Cc1cccc(C[N@@H+](C2CCC2)C2CCOCC2)c1 ZINC001231664492 818153789 /nfs/dbraw/zinc/15/37/89/818153789.db2.gz RIYVJFLUSBMXRY-UHFFFAOYSA-N 1 1 269.388 3.201 20 30 CGEDMO CC(C)(C)Oc1ccc(C[NH+]2CC(CC#N)C2)cc1 ZINC001231803846 818180242 /nfs/dbraw/zinc/18/02/42/818180242.db2.gz KCMOFGMLIDNPLQ-UHFFFAOYSA-N 1 1 258.365 3.209 20 30 CGEDMO Cc1cc(C)c(C[N@H+]2CCC[C@@H](CC#N)C2)c(O)c1 ZINC001231846093 818187727 /nfs/dbraw/zinc/18/77/27/818187727.db2.gz GAHPLVBKYKOPTA-AWEZNQCLSA-N 1 1 258.365 3.135 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccnc(C(F)F)c1 ZINC001231893068 818206251 /nfs/dbraw/zinc/20/62/51/818206251.db2.gz RQDVCKWKWMWBEH-XYYAHUGASA-N 1 1 277.318 3.286 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccnc(C(F)F)c1 ZINC001231893068 818206254 /nfs/dbraw/zinc/20/62/54/818206254.db2.gz RQDVCKWKWMWBEH-XYYAHUGASA-N 1 1 277.318 3.286 20 30 CGEDMO COC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)c(Cl)c1 ZINC001232112612 818258273 /nfs/dbraw/zinc/25/82/73/818258273.db2.gz ZJYJLSQXEYGBKL-AWEZNQCLSA-N 1 1 278.783 3.213 20 30 CGEDMO CO[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(Cl)c2)CC1 ZINC001232115403 818259809 /nfs/dbraw/zinc/25/98/09/818259809.db2.gz OBWSPZNKIOCKGG-CQSZACIVSA-N 1 1 278.783 3.213 20 30 CGEDMO CC1(C#N)CC[NH+](Cc2ccc(C#N)c(Cl)c2)CC1 ZINC001232115764 818260524 /nfs/dbraw/zinc/26/05/24/818260524.db2.gz ASEBZSCGNMPNIN-UHFFFAOYSA-N 1 1 273.767 3.337 20 30 CGEDMO CCOc1ccc(OC)cc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001232384241 818331569 /nfs/dbraw/zinc/33/15/69/818331569.db2.gz NVFYRMBXLXLNOM-CQSZACIVSA-N 1 1 288.391 3.220 20 30 CGEDMO C=CC[NH+](CC=C)Cc1c2ccccc2n(C)c1C(=O)OC ZINC001232406394 818340125 /nfs/dbraw/zinc/34/01/25/818340125.db2.gz VSXYGHDCOASSFK-UHFFFAOYSA-N 1 1 298.386 3.139 20 30 CGEDMO COc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001232501200 818375210 /nfs/dbraw/zinc/37/52/10/818375210.db2.gz LRQKWWAZRJZRHH-LBPRGKRZSA-N 1 1 278.783 3.474 20 30 CGEDMO COc1cc(Cl)ccc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001232501200 818375214 /nfs/dbraw/zinc/37/52/14/818375214.db2.gz LRQKWWAZRJZRHH-LBPRGKRZSA-N 1 1 278.783 3.474 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1cncc2cnccc21 ZINC001232650537 818410722 /nfs/dbraw/zinc/41/07/22/818410722.db2.gz DBHOKRGELWOGSJ-UHFFFAOYSA-N 1 1 268.364 3.146 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1cncc2cnccc21 ZINC001232650537 818410724 /nfs/dbraw/zinc/41/07/24/818410724.db2.gz DBHOKRGELWOGSJ-UHFFFAOYSA-N 1 1 268.364 3.146 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1ccc2ncsc2c1 ZINC001232740697 818431134 /nfs/dbraw/zinc/43/11/34/818431134.db2.gz DXOAIQCONPXYDS-UHFFFAOYSA-N 1 1 259.378 3.422 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1ccc2ncsc2c1 ZINC001232740697 818431137 /nfs/dbraw/zinc/43/11/37/818431137.db2.gz DXOAIQCONPXYDS-UHFFFAOYSA-N 1 1 259.378 3.422 20 30 CGEDMO Cc1c(Cl)nccc1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001232753036 818434221 /nfs/dbraw/zinc/43/42/21/818434221.db2.gz FCRKGQBYSRDVIF-GFCCVEGCSA-N 1 1 263.772 3.169 20 30 CGEDMO Cc1c(Cl)nccc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001232753036 818434227 /nfs/dbraw/zinc/43/42/27/818434227.db2.gz FCRKGQBYSRDVIF-GFCCVEGCSA-N 1 1 263.772 3.169 20 30 CGEDMO C[N@@H+](Cc1c[nH]c2ccc(O)cc12)Cc1cccc(C#N)c1 ZINC001232869242 818459263 /nfs/dbraw/zinc/45/92/63/818459263.db2.gz PWRAVRGBHIDLJB-UHFFFAOYSA-N 1 1 291.354 3.377 20 30 CGEDMO Cc1ccc(CN2CCC3(CC2)CC[NH+](C)CC3)c(C#N)c1 ZINC001232968613 818486140 /nfs/dbraw/zinc/48/61/40/818486140.db2.gz KKFDHDJYGRZYAW-UHFFFAOYSA-N 1 1 297.446 3.175 20 30 CGEDMO N#Cc1cc[nH]c1C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC001233044406 818508245 /nfs/dbraw/zinc/50/82/45/818508245.db2.gz OCTFSTPSPPPJIK-CYBMUJFWSA-N 1 1 257.362 3.285 20 30 CGEDMO N#Cc1cc[nH]c1C[N@H+]1CCC[C@@H]1c1cccs1 ZINC001233044406 818508251 /nfs/dbraw/zinc/50/82/51/818508251.db2.gz OCTFSTPSPPPJIK-CYBMUJFWSA-N 1 1 257.362 3.285 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](C(F)F)C1 ZINC001233082536 818521373 /nfs/dbraw/zinc/52/13/73/818521373.db2.gz FNVZXOULFODERW-CQSZACIVSA-N 1 1 264.319 3.344 20 30 CGEDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H](C#N)CC2)c1O ZINC001233290206 818570574 /nfs/dbraw/zinc/57/05/74/818570574.db2.gz OONHCXYRPVNWOV-NSHDSACASA-N 1 1 294.782 3.180 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1ccc(O)c2[nH]c(=O)ccc12 ZINC001233293644 818571250 /nfs/dbraw/zinc/57/12/50/818571250.db2.gz DUQVKRXDEDCZOE-UHFFFAOYSA-N 1 1 299.374 3.162 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1ccc(O)c2[nH]c(=O)ccc12 ZINC001233293644 818571254 /nfs/dbraw/zinc/57/12/54/818571254.db2.gz DUQVKRXDEDCZOE-UHFFFAOYSA-N 1 1 299.374 3.162 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2ccc(N)cc2Cl)C1 ZINC001233376224 818601817 /nfs/dbraw/zinc/60/18/17/818601817.db2.gz XBPFCAKSSXHQHM-LLVKDONJSA-N 1 1 263.772 3.048 20 30 CGEDMO C=CC[N@@H+](Cc1cnnn1Cc1ccccc1)C(C)(C)C ZINC001233464145 818625366 /nfs/dbraw/zinc/62/53/66/818625366.db2.gz AFUXVDANKNDECH-UHFFFAOYSA-N 1 1 284.407 3.113 20 30 CGEDMO CC[N@H+]1CCC[C@H](Oc2c(Cl)cccc2C#N)C1 ZINC001233552730 818640174 /nfs/dbraw/zinc/64/01/74/818640174.db2.gz XESPATYGIVCHPN-LBPRGKRZSA-N 1 1 264.756 3.075 20 30 CGEDMO CCc1cc(C)c(C#N)c(O[C@@H]2CCC[N@H+](C(C)C)C2)n1 ZINC001233557479 818640821 /nfs/dbraw/zinc/64/08/21/818640821.db2.gz YYDGCYFGOLDBIV-OAHLLOKOSA-N 1 1 287.407 3.076 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)c1cc(Cl)c[nH]1 ZINC001233895854 818726004 /nfs/dbraw/zinc/72/60/04/818726004.db2.gz CIVIPXPYNYEODF-GFCCVEGCSA-N 1 1 297.830 3.075 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C1CC(C)(C)C1 ZINC001234028958 818760718 /nfs/dbraw/zinc/76/07/18/818760718.db2.gz COWDNMISAYHYJV-ZBFHGGJFSA-N 1 1 292.467 3.310 20 30 CGEDMO CCC(CC)C[N@H+]1CC[C@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234214962 818802392 /nfs/dbraw/zinc/80/23/92/818802392.db2.gz GIKNIGSRNHPCML-INIZCTEOSA-N 1 1 292.467 3.005 20 30 CGEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cnc3ccccc3c1C#N)C2 ZINC001234855330 818935489 /nfs/dbraw/zinc/93/54/89/818935489.db2.gz TXEUVVWWPBZYLH-WDNDVIMCSA-N 1 1 293.370 3.110 20 30 CGEDMO CCCCCCC/C=C/CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001234979502 818969573 /nfs/dbraw/zinc/96/95/73/818969573.db2.gz OKERLPYGSSRBEE-KZQNYRHTSA-N 1 1 250.430 3.054 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cccc(N3CCCC3)c2)C1 ZINC001235095959 819001564 /nfs/dbraw/zinc/00/15/64/819001564.db2.gz KFMMLGSHXYGHRR-MRXNPFEDSA-N 1 1 268.404 3.132 20 30 CGEDMO CCOc1cc(O)cc(C[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC001235399340 819084644 /nfs/dbraw/zinc/08/46/44/819084644.db2.gz ZDMFCAGJLTVACL-UHFFFAOYSA-N 1 1 296.370 3.295 20 30 CGEDMO C=C(C)[C@@H]1CC=C(CN2CC[C@]3(C2)C[NH2+]CC[C@@H]3F)CC1 ZINC001235411008 819089484 /nfs/dbraw/zinc/08/94/84/819089484.db2.gz ZSFUCMXGXZDUCW-FGTMMUONSA-N 1 1 292.442 3.313 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCCNC(=O)C1CCCCCC1 ZINC001235491675 819110129 /nfs/dbraw/zinc/11/01/29/819110129.db2.gz PEUUOCSVDHVIRC-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO N#CCc1ccccc1C[N@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001235514235 819112657 /nfs/dbraw/zinc/11/26/57/819112657.db2.gz JDTVUDKKAUNOON-RDJZCZTQSA-N 1 1 254.377 3.375 20 30 CGEDMO CC[N@@H+](Cc1ccccc1O)Cc1ccccc1CC#N ZINC001235524882 819113920 /nfs/dbraw/zinc/11/39/20/819113920.db2.gz BRRULAFACOULGA-UHFFFAOYSA-N 1 1 280.371 3.480 20 30 CGEDMO CC1CC([N@H+](C)Cc2c(F)cc(C#N)cc2F)C1 ZINC001235650177 819128712 /nfs/dbraw/zinc/12/87/12/819128712.db2.gz CBHKOQCLRBNSBF-UHFFFAOYSA-N 1 1 250.292 3.067 20 30 CGEDMO CC1CC([N@@H+](C)Cc2c(F)cc(C#N)cc2F)C1 ZINC001235650177 819128717 /nfs/dbraw/zinc/12/87/17/819128717.db2.gz CBHKOQCLRBNSBF-UHFFFAOYSA-N 1 1 250.292 3.067 20 30 CGEDMO CSC1CC[NH+](Cc2c(F)cc(C#N)cc2F)CC1 ZINC001235659629 819130744 /nfs/dbraw/zinc/13/07/44/819130744.db2.gz XVOMTNDSYGMYJW-UHFFFAOYSA-N 1 1 282.359 3.164 20 30 CGEDMO CC(C)=CCCC1=CC[C@H](C[N@@H+]2CCN[C@H](C#N)C2)CC1 ZINC001235911805 819221304 /nfs/dbraw/zinc/22/13/04/819221304.db2.gz AOKGDAGXZXEDTH-ZWKOTPCHSA-N 1 1 287.451 3.257 20 30 CGEDMO CC(C)=CCCC1=CC[C@H](C[N@H+]2CCN[C@H](C#N)C2)CC1 ZINC001235911805 819221310 /nfs/dbraw/zinc/22/13/10/819221310.db2.gz AOKGDAGXZXEDTH-ZWKOTPCHSA-N 1 1 287.451 3.257 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCc3ccc(N)cc3C2)cc1 ZINC001236234298 819395017 /nfs/dbraw/zinc/39/50/17/819395017.db2.gz XFBSRSHQSALNPU-UHFFFAOYSA-N 1 1 294.398 3.392 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@@](C)(F)C2)c2cc(C#N)ccc21 ZINC001237466276 819757259 /nfs/dbraw/zinc/75/72/59/819757259.db2.gz LXSVXOKOYBGFEZ-QGZVFWFLSA-N 1 1 285.366 3.374 20 30 CGEDMO COc1cccc([C@H]2CCC[N@H+]2Cc2ccnc(C#N)c2)c1 ZINC001237467476 819759313 /nfs/dbraw/zinc/75/93/13/819759313.db2.gz VPTPTABFFQMLDS-GOSISDBHSA-N 1 1 293.370 3.299 20 30 CGEDMO CC[C@@H](C)[N@@H+](C)Cc1cn(C)c2ccc(C#N)cc12 ZINC001237469721 819759355 /nfs/dbraw/zinc/75/93/55/819759355.db2.gz YDKJUCPNICMWIW-GFCCVEGCSA-N 1 1 255.365 3.280 20 30 CGEDMO CC1CC([N@@H+](C)Cc2cc(C#N)c(F)cc2F)C1 ZINC001237525146 819772720 /nfs/dbraw/zinc/77/27/20/819772720.db2.gz PMGZHRZTHGKZDW-UHFFFAOYSA-N 1 1 250.292 3.067 20 30 CGEDMO CC[N@H+]1CCN(Cc2cc(Cl)cc(C#N)c2)C(C)(C)C1 ZINC001237753142 819837051 /nfs/dbraw/zinc/83/70/51/819837051.db2.gz FMVNINBQIMZXEZ-UHFFFAOYSA-N 1 1 291.826 3.128 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(F)cc2OCCC)C1 ZINC001237908407 819879962 /nfs/dbraw/zinc/87/99/62/819879962.db2.gz GZTIAAUTUDEUBP-AWEZNQCLSA-N 1 1 275.367 3.460 20 30 CGEDMO CCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1F ZINC001237957098 819896264 /nfs/dbraw/zinc/89/62/64/819896264.db2.gz TXYQVDFQRKRXCF-QKDCVEJESA-N 1 1 288.366 3.491 20 30 CGEDMO C=CC[N@H+](Cc1c(N)ccnc1F)C1CCCCC1 ZINC001238165832 819945698 /nfs/dbraw/zinc/94/56/98/819945698.db2.gz MYAFFDRKANRLNJ-UHFFFAOYSA-N 1 1 263.360 3.124 20 30 CGEDMO COc1c(C)c[nH+]c(CN(CCC#N)C2CCCC2)c1C ZINC001238173458 819947370 /nfs/dbraw/zinc/94/73/70/819947370.db2.gz COGYSNDTRKDOBH-UHFFFAOYSA-N 1 1 287.407 3.365 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)ccc1Cl ZINC001238189126 819951105 /nfs/dbraw/zinc/95/11/05/819951105.db2.gz MGAJVJYXUOYRSB-CZUORRHYSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)ccc1Cl ZINC001238189126 819951110 /nfs/dbraw/zinc/95/11/10/819951110.db2.gz MGAJVJYXUOYRSB-CZUORRHYSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)ccc1Cl ZINC001238189127 819951587 /nfs/dbraw/zinc/95/15/87/819951587.db2.gz MGAJVJYXUOYRSB-XJKSGUPXSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)ccc1Cl ZINC001238189127 819951593 /nfs/dbraw/zinc/95/15/93/819951593.db2.gz MGAJVJYXUOYRSB-XJKSGUPXSA-N 1 1 290.794 3.213 20 30 CGEDMO C[N@H+](Cc1ccc(Cl)c(C#N)c1)C[C@@H]1CCCCO1 ZINC001238194689 819952757 /nfs/dbraw/zinc/95/27/57/819952757.db2.gz RHTYNXFSHXGTFF-AWEZNQCLSA-N 1 1 278.783 3.213 20 30 CGEDMO CC[N@@H+](Cc1ccc(Cl)c(C#N)c1)C1CCOCC1 ZINC001238193950 819953392 /nfs/dbraw/zinc/95/33/92/819953392.db2.gz IAUMRZLFDDMZSN-UHFFFAOYSA-N 1 1 278.783 3.213 20 30 CGEDMO C=CC[N@@H+](C)Cc1cc(F)cc(Br)c1OC ZINC001238327242 819975857 /nfs/dbraw/zinc/97/58/57/819975857.db2.gz JCHBPTMIUFVZHT-UHFFFAOYSA-N 1 1 288.160 3.215 20 30 CGEDMO C=CC[N@H+](C)Cc1cc(F)cc(Br)c1OC ZINC001238327242 819975860 /nfs/dbraw/zinc/97/58/60/819975860.db2.gz JCHBPTMIUFVZHT-UHFFFAOYSA-N 1 1 288.160 3.215 20 30 CGEDMO Cc1cc(C[N@@H+]2CCC[C@H](C#N)CC2)ncc1Cl ZINC001238418874 819990476 /nfs/dbraw/zinc/99/04/76/819990476.db2.gz SEPKGWREEBMFDK-LBPRGKRZSA-N 1 1 263.772 3.169 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@H](C#N)CC2)ncc1Cl ZINC001238418874 819990479 /nfs/dbraw/zinc/99/04/79/819990479.db2.gz SEPKGWREEBMFDK-LBPRGKRZSA-N 1 1 263.772 3.169 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cccc(OC(C)C)c2F)C1 ZINC001238429471 819995134 /nfs/dbraw/zinc/99/51/34/819995134.db2.gz IPCBNLFBVZBGDN-CQSZACIVSA-N 1 1 275.367 3.458 20 30 CGEDMO CCCCOc1ncc(C[NH+]2CCC(C#N)CC2)cc1C ZINC001238498968 820026618 /nfs/dbraw/zinc/02/66/18/820026618.db2.gz ZFFHYHFUTHAFBF-UHFFFAOYSA-N 1 1 287.407 3.305 20 30 CGEDMO CCc1cc(C[N@H+]2CCC[C@@H](F)CC2)ccc1C#N ZINC001238766151 820110779 /nfs/dbraw/zinc/11/07/79/820110779.db2.gz IQADOLYSRUDFRR-MRXNPFEDSA-N 1 1 260.356 3.445 20 30 CGEDMO CCc1cc(C[N@H+]2CC[C@H](C)[C@@](C)(O)CC2)ccc1C#N ZINC001238766480 820110952 /nfs/dbraw/zinc/11/09/52/820110952.db2.gz MLTRPUYQHYLLPY-KSSFIOAISA-N 1 1 286.419 3.104 20 30 CGEDMO COc1cc(C)c(C)cc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001238765313 820111521 /nfs/dbraw/zinc/11/15/21/820111521.db2.gz DMSBLXRLIPKCPC-OAHLLOKOSA-N 1 1 272.392 3.438 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1cc(OC(C)C)ncc1F ZINC001238803182 820124432 /nfs/dbraw/zinc/12/44/32/820124432.db2.gz YNOOTWRFBFPSBD-UHFFFAOYSA-N 1 1 266.360 3.406 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(OC(C)C)ncc1F ZINC001238803182 820124436 /nfs/dbraw/zinc/12/44/36/820124436.db2.gz YNOOTWRFBFPSBD-UHFFFAOYSA-N 1 1 266.360 3.406 20 30 CGEDMO CC[N@H+]1CCc2cc(-c3cnc(C#N)c(F)c3)ccc2C1 ZINC001238989625 820183809 /nfs/dbraw/zinc/18/38/09/820183809.db2.gz AZCUQLHUFRNONA-UHFFFAOYSA-N 1 1 281.334 3.137 20 30 CGEDMO N#Cc1cc(-c2cc[nH+]c3c2CCN3)ccc1Cl ZINC001240405119 821025087 /nfs/dbraw/zinc/02/50/87/821025087.db2.gz VJNYKPPTWZDGPK-UHFFFAOYSA-N 1 1 255.708 3.242 20 30 CGEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(-c2ccnc(C#N)c2)nc1 ZINC001241182789 821620396 /nfs/dbraw/zinc/62/03/96/821620396.db2.gz CIJJDVGIFGGPBO-AWEZNQCLSA-N 1 1 292.386 3.390 20 30 CGEDMO COc1ccc(-c2c[nH+]c(N(C)C)cc2C)c(CC#N)c1 ZINC001241248156 821670019 /nfs/dbraw/zinc/67/00/19/821670019.db2.gz CUSAVRXGPIWZKC-UHFFFAOYSA-N 1 1 281.359 3.198 20 30 CGEDMO COc1cc(-c2c[nH+]c(N(C)C)cc2C)cc(F)c1C#N ZINC001241250971 821672813 /nfs/dbraw/zinc/67/28/13/821672813.db2.gz FIUIWMPEDIXWTN-UHFFFAOYSA-N 1 1 285.322 3.142 20 30 CGEDMO C[N@@H+]1CC=C(c2ccc(C(F)(F)F)cc2CC#N)CC1 ZINC001241327895 821735517 /nfs/dbraw/zinc/73/55/17/821735517.db2.gz UJWMLVQZSBZHLI-UHFFFAOYSA-N 1 1 280.293 3.490 20 30 CGEDMO N#Cc1ccnc(C2=CC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001241501614 821903548 /nfs/dbraw/zinc/90/35/48/821903548.db2.gz OZYRHRKWUJQCSK-UHFFFAOYSA-N 1 1 275.355 3.243 20 30 CGEDMO Cc1cc(N)[nH+]cc1-c1cccc(C2(C#N)CCOCC2)c1 ZINC001242095945 822350185 /nfs/dbraw/zinc/35/01/85/822350185.db2.gz UNSIQRZIWKFDGC-UHFFFAOYSA-N 1 1 293.370 3.211 20 30 CGEDMO CC1(C)CC(=O)C=C(c2cc(N)c(C(F)(F)F)c[nH+]2)C1 ZINC001242313711 822948605 /nfs/dbraw/zinc/94/86/05/822948605.db2.gz BGBSVXRPCYTYEA-UHFFFAOYSA-N 1 1 284.281 3.455 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)C[C@@H]1C[C@]1(C)Br ZINC001335416592 936144635 /nfs/dbraw/zinc/14/46/35/936144635.db2.gz JPACGLVXDDGVAL-AAEUAGOBSA-N 1 1 287.245 3.422 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@@H]1C[C@]1(C)Br ZINC001335416592 936144638 /nfs/dbraw/zinc/14/46/38/936144638.db2.gz JPACGLVXDDGVAL-AAEUAGOBSA-N 1 1 287.245 3.422 20 30 CGEDMO C[N@H+](Cc1cc(Cl)cc(C#N)c1)C[C@H]1CCCC[C@H]1O ZINC001340762303 936413617 /nfs/dbraw/zinc/41/36/17/936413617.db2.gz RTDUNXHCMUSXNC-GDBMZVCRSA-N 1 1 292.810 3.195 20 30 CGEDMO Cc1[nH+]ccn1CCCN(C)c1cc(C)cc(F)c1C#N ZINC001342947210 936485234 /nfs/dbraw/zinc/48/52/34/936485234.db2.gz MXNYJZBOCNSHDN-UHFFFAOYSA-N 1 1 286.354 3.037 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC001479909782 936922928 /nfs/dbraw/zinc/92/29/28/936922928.db2.gz QDKUIXYUMBEKQY-HOTGVXAUSA-N 1 1 290.451 3.278 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CCCCC)C(C)C)C1 ZINC001479968064 936951488 /nfs/dbraw/zinc/95/14/88/936951488.db2.gz ZQFUFXUTESLRFG-SJORKVTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)/C(C)=C/CC)C1 ZINC001480246547 937040801 /nfs/dbraw/zinc/04/08/01/937040801.db2.gz YLTBKAQXJIWMMW-UBYXTUIOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)C1(CCF)CC1 ZINC001480322839 937046160 /nfs/dbraw/zinc/04/61/60/937046160.db2.gz JFMQEWCMJVWVGU-HNNXBMFYSA-N 1 1 296.430 3.063 20 30 CGEDMO C=C(C)CC[N@H+](C)CCNC(=O)[C@@]1(C)CCC[C@@H]1CC ZINC001480879787 926711771 /nfs/dbraw/zinc/71/17/71/926711771.db2.gz SGZKJMCYTHLOIH-RDJZCZTQSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCC[N@H+](CCNC(=O)C1CCC(F)CC1)C1CC1 ZINC001481185158 926903534 /nfs/dbraw/zinc/90/35/34/926903534.db2.gz XUFYMHJAWNEUAW-UHFFFAOYSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@@H](C[N@H+](C)C[C@@H](C)CC)C1 ZINC001481488391 927001251 /nfs/dbraw/zinc/00/12/51/927001251.db2.gz RUGRUYNUNCJIPW-HOTGVXAUSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)CCCC)C1 ZINC001481485482 927001749 /nfs/dbraw/zinc/00/17/49/927001749.db2.gz YPMVKVATYRADDF-HZPDHXFCSA-N 1 1 280.456 3.169 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)CC(C)(C)C)C1 ZINC001481530596 927016623 /nfs/dbraw/zinc/01/66/23/927016623.db2.gz JLFPALJEMPHYFR-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H](CC)CC(C)C)C1 ZINC001481539105 927021607 /nfs/dbraw/zinc/02/16/07/927021607.db2.gz UHXKCAFSKIHJLA-CVEARBPZSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)CCCC ZINC001481664372 927049200 /nfs/dbraw/zinc/04/92/00/927049200.db2.gz LEUQRTIUGXYYEU-PMPSAXMXSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C(C)C ZINC001481678035 927053944 /nfs/dbraw/zinc/05/39/44/927053944.db2.gz GNQUKTJZYRVTQR-ULQDDVLXSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CCCC1 ZINC001481675381 927054478 /nfs/dbraw/zinc/05/44/78/927054478.db2.gz MIAFXEVOHPFKFF-JYJNAYRXSA-N 1 1 290.451 3.207 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)C[C@@H](C)CC(C)C)C1 ZINC001481778432 927087880 /nfs/dbraw/zinc/08/78/80/927087880.db2.gz MTYBFNBPVJZNCE-DLBZAZTESA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCCCC(=O)N(CC)[C@@H]1CC[N@H+](CCCC)C1 ZINC001481773649 927090428 /nfs/dbraw/zinc/09/04/28/927090428.db2.gz ZAWRSMNDLOQLFS-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)/C=C/c1ccco1 ZINC001482576179 927300665 /nfs/dbraw/zinc/30/06/65/927300665.db2.gz OXNPYPBGPPMRBF-AUECHBEKSA-N 1 1 290.407 3.038 20 30 CGEDMO CC(C)C[C@@H](C)C[N@@H+](C)CCN(C)C(=O)C#CC(C)(C)C ZINC001482594990 927313579 /nfs/dbraw/zinc/31/35/79/927313579.db2.gz GYUZFBDNLMDJME-MRXNPFEDSA-N 1 1 294.483 3.108 20 30 CGEDMO CC[N@H+]1CC[C@H](Oc2ccc(C#N)cc2C(C)(C)C)C1 ZINC001228995969 927315858 /nfs/dbraw/zinc/31/58/58/927315858.db2.gz JSCIDJVJVLCETL-AWEZNQCLSA-N 1 1 272.392 3.329 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001482653461 927336025 /nfs/dbraw/zinc/33/60/25/927336025.db2.gz PWIYLRPWZSQZNL-FVQHAEBGSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)/C=C(/C)CC)CC[C@@H]21 ZINC001496859417 927458629 /nfs/dbraw/zinc/45/86/29/927458629.db2.gz QXCCSRCJGPMLTF-XQOFYJNGSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H](C)C[N@H+](C)C[C@H](C)CC ZINC001483341450 927486675 /nfs/dbraw/zinc/48/66/75/927486675.db2.gz CRZMFNAZKGSANU-ZIAGYGMSSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)C(=C)C ZINC001483368624 927490592 /nfs/dbraw/zinc/49/05/92/927490592.db2.gz DBILCZNOFCJHTE-CABCVRRESA-N 1 1 280.456 3.380 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)c1sccc1CC ZINC001483421137 927501724 /nfs/dbraw/zinc/50/17/24/927501724.db2.gz PZUZQHFKICYSHC-ZDUSSCGKSA-N 1 1 294.464 3.327 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@H]1[C@H]1CC[N@H+](CCCC)C1 ZINC001483802420 927624863 /nfs/dbraw/zinc/62/48/63/927624863.db2.gz QLJXRPNECAPCAT-IRXDYDNUSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)C/C=C(\C)C=C)C2)C1 ZINC001483833124 927632078 /nfs/dbraw/zinc/63/20/78/927632078.db2.gz IKHFNQNGJHIYIY-ULUBDBHXSA-N 1 1 288.435 3.009 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)CC=C ZINC001484464800 927710274 /nfs/dbraw/zinc/71/02/74/927710274.db2.gz OSYIBJPPGIVAJJ-HZPDHXFCSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC(C)C ZINC001484460630 927710995 /nfs/dbraw/zinc/71/09/95/927710995.db2.gz PXYOAGXANAYOQZ-HZPDHXFCSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)C(C)(C)C ZINC001484556801 927720728 /nfs/dbraw/zinc/72/07/28/927720728.db2.gz JSKOYKWYCIUVDZ-UHFFFAOYSA-N 1 1 288.435 3.357 20 30 CGEDMO C=CCC[N@@H+]1CCc2c(CNC(=O)/C(C)=C/C)cccc2C1 ZINC001484611581 927728731 /nfs/dbraw/zinc/72/87/31/927728731.db2.gz NBCUXWXJUCCQTF-PJQLUOCWSA-N 1 1 298.430 3.203 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H](NC(=O)C[C@H]2C=CCC2)CC1 ZINC001484705882 927740474 /nfs/dbraw/zinc/74/04/74/927740474.db2.gz ATBRDTLARQPNAH-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@H+](C(C)C)CC1(C)C ZINC001484938219 927774136 /nfs/dbraw/zinc/77/41/36/927774136.db2.gz XDMWYVOQCNWXMZ-WMLDXEAASA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)/C(C)=C\C ZINC001485055905 927791558 /nfs/dbraw/zinc/79/15/58/927791558.db2.gz NDYYNLLHRJQSEC-USCQQBMNSA-N 1 1 278.440 3.230 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]1C[N@@H+](C)CCC(C)(C)C ZINC001485051474 927794846 /nfs/dbraw/zinc/79/48/46/927794846.db2.gz WQYUSQPKTOGYJX-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@H]1C[N@@H+](C)C/C=C/Cl ZINC001485069068 927799220 /nfs/dbraw/zinc/79/92/20/927799220.db2.gz LDZJMLAXFWSGDS-YBZQBRCDSA-N 1 1 298.858 3.264 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)c1cscc1Cl ZINC001485314195 927844394 /nfs/dbraw/zinc/84/43/94/927844394.db2.gz VZMIBHXYDPHFMV-JTQLQIEISA-N 1 1 286.828 3.028 20 30 CGEDMO CC#CCCCC(=O)NC[C@@H](C)[N@@H+](C)CCC(C)(C)C ZINC001485339348 927853153 /nfs/dbraw/zinc/85/31/53/927853153.db2.gz ARIFBQPPMJZGBT-OAHLLOKOSA-N 1 1 280.456 3.053 20 30 CGEDMO C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)CC[C@@H](C)CC ZINC001485482795 927880657 /nfs/dbraw/zinc/88/06/57/927880657.db2.gz PJTKLTYLOSZPEN-IRXDYDNUSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCCC)C[C@H]2C1 ZINC001485656820 927896474 /nfs/dbraw/zinc/89/64/74/927896474.db2.gz XXYBUJJELLTTLA-ULQDDVLXSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+]1CCCC2(CN(C(=O)CCC3CC3)C2)C1 ZINC001485660671 927898609 /nfs/dbraw/zinc/89/86/09/927898609.db2.gz UUGNEYCFAKHWJT-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)CC)C[C@@]2(C)C1 ZINC001485666899 927898771 /nfs/dbraw/zinc/89/87/71/927898771.db2.gz UJPBJDXFFCXDCD-NXHRZFHOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC(=O)N1CC2(C1)CCC[N@H+](CCC(C)(C)C)C2 ZINC001485661155 927899881 /nfs/dbraw/zinc/89/98/81/927899881.db2.gz QBGXGJZNRPJKJP-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)/C(C)=C/CC)CC1 ZINC001485752814 927912122 /nfs/dbraw/zinc/91/21/22/927912122.db2.gz BQOWLDYXZPYSBZ-OQLLNIDSSA-N 1 1 278.440 3.232 20 30 CGEDMO N#CC1(C[NH2+]Cc2cccc(C(F)(F)F)c2)CCOCC1 ZINC001560616963 937214794 /nfs/dbraw/zinc/21/47/94/937214794.db2.gz FKVYYDVZGNIGHE-UHFFFAOYSA-N 1 1 298.308 3.115 20 30 CGEDMO C=CCCC(=O)N[C@H]1CCC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001494312370 928055054 /nfs/dbraw/zinc/05/50/54/928055054.db2.gz FICSYDHRCFWQNB-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCCC[C@]2(CC[N@@H+](CC)C2)C1 ZINC001324555584 928093513 /nfs/dbraw/zinc/09/35/13/928093513.db2.gz ABTXWKYSPRJCAG-SJLPKXTDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)C2CC3(CC3)C2)C1 ZINC001494853420 928203105 /nfs/dbraw/zinc/20/31/05/928203105.db2.gz FBIOYIYJXCUQPK-HOCLYGCPSA-N 1 1 290.451 3.064 20 30 CGEDMO C#CC[N@@H+](Cc1cc(=O)oc2c(C)c(C)ccc12)C(C)C ZINC001198027650 928270073 /nfs/dbraw/zinc/27/00/73/928270073.db2.gz RJOQKSJOZSIEEJ-UHFFFAOYSA-N 1 1 283.371 3.253 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)CCCC)[C@H]1CC ZINC001489113425 928315544 /nfs/dbraw/zinc/31/55/44/928315544.db2.gz BDCJYRWMNSEEGA-OWCLPIDISA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@@H+](CC=C(C)C)[C@@H]1CC ZINC001489132517 928315599 /nfs/dbraw/zinc/31/55/99/928315599.db2.gz JPSLVNIRCHPBHF-JKSUJKDBSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)CCC2CC2)C1 ZINC001490434362 928364603 /nfs/dbraw/zinc/36/46/03/928364603.db2.gz PVIMZEJSCDRGIW-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)c2ccoc2C(C)C)C1 ZINC001490580354 928375379 /nfs/dbraw/zinc/37/53/79/928375379.db2.gz XDWZYHQUDHDGTQ-AWEZNQCLSA-N 1 1 290.407 3.173 20 30 CGEDMO C=CC[N@@H+](CC)CCNC(=O)c1ccc(CC(C)C)s1 ZINC001492967962 937244377 /nfs/dbraw/zinc/24/43/77/937244377.db2.gz SBFHAWZCQPKGKU-UHFFFAOYSA-N 1 1 294.464 3.184 20 30 CGEDMO C=CCC1(C(=O)NCC[N@H+](C)C[C@H](C)CC)CCCC1 ZINC001492894685 937242850 /nfs/dbraw/zinc/24/28/50/937242850.db2.gz PKSNYKIDLOBEHB-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)[C@@]1(C)CCC[C@@H]1CC ZINC001320021580 928486577 /nfs/dbraw/zinc/48/65/77/928486577.db2.gz QVMDOHVKVIHOIN-RDJZCZTQSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[C@H]([NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1)C(=O)OCC ZINC001321150044 928501307 /nfs/dbraw/zinc/50/13/07/928501307.db2.gz SKDIQPXQSDBRME-JONQDZQNSA-N 1 1 279.424 3.443 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](CNC(=O)c2ccco2)C1 ZINC001491090950 928829545 /nfs/dbraw/zinc/82/95/45/928829545.db2.gz PRLQACQBFNVMAG-LSDHHAIUSA-N 1 1 290.407 3.076 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](CNC(=O)C2(CC=C)CCCC2)C1 ZINC001491133130 928836087 /nfs/dbraw/zinc/83/60/87/928836087.db2.gz JEPVGJMFXWOMMM-MRXNPFEDSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CC)CCCC ZINC001491200645 928841336 /nfs/dbraw/zinc/84/13/36/928841336.db2.gz OZPOBRWEBGOYAR-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO CC#CCCCC(=O)NC[C@H]1CCCC[N@@H+]1CCCCC ZINC001491222216 928845372 /nfs/dbraw/zinc/84/53/72/928845372.db2.gz JJWFVCPAFPHRCZ-QGZVFWFLSA-N 1 1 292.467 3.341 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)/C=C(\C)C2CC2)C1 ZINC001491280119 928851742 /nfs/dbraw/zinc/85/17/42/928851742.db2.gz HJKOKVWWTXTMHK-UVTURKTISA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC1(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)CCCC1 ZINC001448507223 937375049 /nfs/dbraw/zinc/37/50/49/937375049.db2.gz GQNPZSVWTQMTHN-UHFFFAOYSA-N 1 1 292.467 3.361 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H](Nc2nc3c(cccc3C)s2)C1 ZINC001458595798 937469679 /nfs/dbraw/zinc/46/96/79/937469679.db2.gz YHCDJRDVGNRCNF-CYBMUJFWSA-N 1 1 285.416 3.114 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@H](N(C)Cc2ccccc2)C1 ZINC001459623315 937493966 /nfs/dbraw/zinc/49/39/66/937493966.db2.gz XKPRRAXPTVECRT-RDJZCZTQSA-N 1 1 258.409 3.157 20 30 CGEDMO C#CC[N@H+](C[C@@H](O)c1ccc(Cl)c(Cl)c1)CC1CC1 ZINC001459776352 937499556 /nfs/dbraw/zinc/49/95/56/937499556.db2.gz OLWNPVLYJLUBCO-OAHLLOKOSA-N 1 1 298.213 3.372 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](C[C@H](C)C2CCCCC2)C1 ZINC001459820089 937501566 /nfs/dbraw/zinc/50/15/66/937501566.db2.gz QCXNTIWWFRDGOR-GOEBONIOSA-N 1 1 251.414 3.480 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)C[C@@H](C)CC(C)(C)C ZINC001460034263 937511821 /nfs/dbraw/zinc/51/18/21/937511821.db2.gz YXHMQZXQOBBLHP-HNNXBMFYSA-N 1 1 254.462 3.498 20 30 CGEDMO CC#CC[NH+]1CCN(c2ccc(CC)c(Cl)c2)CC1 ZINC001460089082 937515590 /nfs/dbraw/zinc/51/55/90/937515590.db2.gz JBGGWNNLSDQWPF-UHFFFAOYSA-N 1 1 276.811 3.048 20 30 CGEDMO C#CCCCCCC[N@@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC001460193381 937519978 /nfs/dbraw/zinc/51/99/78/937519978.db2.gz CKVHGHZWJBGSPL-CVEARBPZSA-N 1 1 263.425 3.460 20 30 CGEDMO C=C(C)C[N@H+](CC(=O)OC(C)(C)C)CC(C)(C)C ZINC001460499185 937533229 /nfs/dbraw/zinc/53/32/29/937533229.db2.gz VVOMZIFYPQLYNG-UHFFFAOYSA-N 1 1 255.402 3.252 20 30 CGEDMO C=C(C)C[N@@H+](CC(=O)OC(C)(C)C)CC(C)(C)C ZINC001460499185 937533230 /nfs/dbraw/zinc/53/32/30/937533230.db2.gz VVOMZIFYPQLYNG-UHFFFAOYSA-N 1 1 255.402 3.252 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1cc(=O)oc2cc(O)ccc12 ZINC001460886592 937550555 /nfs/dbraw/zinc/55/05/55/937550555.db2.gz NWLJZQGJHKIKIS-CQSZACIVSA-N 1 1 299.370 3.429 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1C[C@@H](O)c1cccc(F)c1 ZINC001460890646 937550946 /nfs/dbraw/zinc/55/09/46/937550946.db2.gz OOSKPZIICIDZRD-JKSUJKDBSA-N 1 1 263.356 3.290 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1CCC ZINC001158450421 931980287 /nfs/dbraw/zinc/98/02/87/931980287.db2.gz QIRWQRUIDWOORF-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C[N@H+](Cc1cc(F)cc(C#N)c1)Cc1ccccc1F ZINC000163556998 932003295 /nfs/dbraw/zinc/00/32/95/932003295.db2.gz RQLLCIRGPUSAAB-UHFFFAOYSA-N 1 1 272.298 3.468 20 30 CGEDMO C[N@@H+](Cc1cc(F)cc(C#N)c1)Cc1ccccc1F ZINC000163556998 932003299 /nfs/dbraw/zinc/00/32/99/932003299.db2.gz RQLLCIRGPUSAAB-UHFFFAOYSA-N 1 1 272.298 3.468 20 30 CGEDMO C=CC[C@@H](C(=O)OC)[N@@H+]1CCc2cc(C(C)C)ccc2C1 ZINC001460976752 937556795 /nfs/dbraw/zinc/55/67/95/937556795.db2.gz GTKAIXZMINWQBD-KRWDZBQOSA-N 1 1 287.403 3.286 20 30 CGEDMO C=CC[C@@H](C(=O)OC)[N@H+]1CCc2cc(C(C)C)ccc2C1 ZINC001460976752 937556797 /nfs/dbraw/zinc/55/67/97/937556797.db2.gz GTKAIXZMINWQBD-KRWDZBQOSA-N 1 1 287.403 3.286 20 30 CGEDMO CCCCCCCCC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC001461042437 937560532 /nfs/dbraw/zinc/56/05/32/937560532.db2.gz JGQOVTXWEORPNK-HNNXBMFYSA-N 1 1 268.445 3.290 20 30 CGEDMO C#Cc1ccc(CN[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC001461094390 937563630 /nfs/dbraw/zinc/56/36/30/937563630.db2.gz GOWDZXMBEARMCF-IXDOHACOSA-N 1 1 284.447 3.124 20 30 CGEDMO C#Cc1ccc(C[NH2+][C@H](C)CN2C[C@H](C)C[C@H](C)C2)cc1 ZINC001461094390 937563632 /nfs/dbraw/zinc/56/36/32/937563632.db2.gz GOWDZXMBEARMCF-IXDOHACOSA-N 1 1 284.447 3.124 20 30 CGEDMO N#CCOc1cccc(C[NH2+]Cc2nc3ccccc3o2)c1 ZINC001461198234 937569583 /nfs/dbraw/zinc/56/95/83/937569583.db2.gz UAXGTPNYBMFLBN-UHFFFAOYSA-N 1 1 293.326 3.020 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1cc(C(C)(C)C)oc1C)[C@H]1CCCO1 ZINC001461443059 937581858 /nfs/dbraw/zinc/58/18/58/937581858.db2.gz HJHWRTWYVLYJFA-HUUCEWRRSA-N 1 1 275.392 3.156 20 30 CGEDMO C=CCCC(C)(C)C[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC001461676507 937591774 /nfs/dbraw/zinc/59/17/74/937591774.db2.gz POEMYRPEMXGUQN-CQSZACIVSA-N 1 1 252.446 3.441 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@H](CC)CCC)CC1 ZINC001229796219 932485376 /nfs/dbraw/zinc/48/53/76/932485376.db2.gz OLGYJVXMWDEMOR-CYBMUJFWSA-N 1 1 286.847 3.146 20 30 CGEDMO C=CCCCC(=O)N1CCC([C@H]2CCC[N@@H+]2CCF)CC1 ZINC001230592128 932594866 /nfs/dbraw/zinc/59/48/66/932594866.db2.gz SHMUTOREWZBXKK-MRXNPFEDSA-N 1 1 296.430 3.015 20 30 CGEDMO C[C@@]1(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)CCCCO1 ZINC001462001846 937612439 /nfs/dbraw/zinc/61/24/39/937612439.db2.gz OOUSBSQCJZBQLE-SFHVURJKSA-N 1 1 284.403 3.482 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)c1ccsc1 ZINC001230698490 932611582 /nfs/dbraw/zinc/61/15/82/932611582.db2.gz QRDJUUIZWPTKOK-ZFWWWQNUSA-N 1 1 292.448 3.249 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](CC)CCCC ZINC001230845020 932629814 /nfs/dbraw/zinc/62/98/14/932629814.db2.gz UXXXYRCLQIPGIR-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO N#Cc1cc(F)cc(-c2cccc(C[NH+]3CCOCC3)c2)c1 ZINC001241658309 932699994 /nfs/dbraw/zinc/69/99/94/932699994.db2.gz JQZYVPJADRMWGK-UHFFFAOYSA-N 1 1 296.345 3.197 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCCNC(=O)CC1(C)CCCC1 ZINC001264982581 932741622 /nfs/dbraw/zinc/74/16/22/932741622.db2.gz UDOWDSXMPWHTDV-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC001332867015 932754047 /nfs/dbraw/zinc/75/40/47/932754047.db2.gz PLFRQCAMIWORNL-CVEARBPZSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)/C=C(\C)CC)C1 ZINC001491924709 932797921 /nfs/dbraw/zinc/79/79/21/932797921.db2.gz IBSUNJFGYHPCCP-STTHAQSSSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)C(=C)C)C1 ZINC001491945628 932798365 /nfs/dbraw/zinc/79/83/65/932798365.db2.gz YVEWKALKRXWPFN-HNNXBMFYSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)C2(CC)CCC2)C1 ZINC001491943825 932798993 /nfs/dbraw/zinc/79/89/93/932798993.db2.gz SCZCRHGHULQQRI-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@@H+](C)CCCNC(=O)c1cc(F)cc(Cl)c1 ZINC001316850448 932871642 /nfs/dbraw/zinc/87/16/42/932871642.db2.gz IVRRNKIQYIAMTJ-UHFFFAOYSA-N 1 1 298.789 3.107 20 30 CGEDMO C[N@H+]1CCC[C@@H]1CSc1ccc(C#N)cc1Cl ZINC001307317883 932939605 /nfs/dbraw/zinc/93/96/05/932939605.db2.gz PJFMFWDWULFXJJ-LLVKDONJSA-N 1 1 266.797 3.398 20 30 CGEDMO CC[N@H+](Cc1ccc(C)cc1)C[C@H](O)c1cccc(C#N)c1 ZINC001307433233 932950618 /nfs/dbraw/zinc/95/06/18/932950618.db2.gz HXJDKONPOKEYPJ-IBGZPJMESA-N 1 1 294.398 3.422 20 30 CGEDMO C=CC[N@@H+](CCN1CCCC1)CC1CCCCC1 ZINC001307470334 932956582 /nfs/dbraw/zinc/95/65/82/932956582.db2.gz JXVXBRNJTHDEKQ-UHFFFAOYSA-N 1 1 250.430 3.151 20 30 CGEDMO C=CCN(CC[NH+]1CCCC1)CC1CCCCC1 ZINC001307470334 932956587 /nfs/dbraw/zinc/95/65/87/932956587.db2.gz JXVXBRNJTHDEKQ-UHFFFAOYSA-N 1 1 250.430 3.151 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1Cc2ccc(OC)cc2OC(C)(C)C1 ZINC001307849315 933007720 /nfs/dbraw/zinc/00/77/20/933007720.db2.gz CQZRUPBHVVJUBZ-AWEZNQCLSA-N 1 1 287.403 3.470 20 30 CGEDMO N#CC1(C[C@H](O)C[N@H+]2CC[C@H](C3CCCCC3)C2)CCC1 ZINC001307910984 933018172 /nfs/dbraw/zinc/01/81/72/933018172.db2.gz PFJVWQMBBRELQE-IRXDYDNUSA-N 1 1 290.451 3.333 20 30 CGEDMO C[N@H+](Cc1ccc(F)c2cccnc12)[C@@H]1CCC[C@H]1C#N ZINC001307994528 933029983 /nfs/dbraw/zinc/02/99/83/933029983.db2.gz PPDWJRCVORQZMM-BLLLJJGKSA-N 1 1 283.350 3.498 20 30 CGEDMO C[N@@H+](Cc1ccc(F)c2cccnc12)[C@@H]1CCC[C@H]1C#N ZINC001307994528 933029988 /nfs/dbraw/zinc/02/99/88/933029988.db2.gz PPDWJRCVORQZMM-BLLLJJGKSA-N 1 1 283.350 3.498 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@]1(C)Cc1ccc(F)c(F)c1 ZINC001308015354 933034237 /nfs/dbraw/zinc/03/42/37/933034237.db2.gz NAFSYSKXEHUBET-MRXNPFEDSA-N 1 1 263.331 3.385 20 30 CGEDMO C[C@H]([NH2+]Cc1cc(F)ncc1F)c1cccc(C#N)c1 ZINC001462582197 937651862 /nfs/dbraw/zinc/65/18/62/937651862.db2.gz RRICWWFZZQFSII-JTQLQIEISA-N 1 1 273.286 3.082 20 30 CGEDMO C#C[C@@H]1CCCC[N@@H+]1Cc1cccc(OCCC)c1 ZINC001308143356 933057221 /nfs/dbraw/zinc/05/72/21/933057221.db2.gz UYHKFNLQRMBCRH-MRXNPFEDSA-N 1 1 257.377 3.463 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCCC[C@H]2[C@H]2CCCO2)CC1 ZINC001308158581 933060964 /nfs/dbraw/zinc/06/09/64/933060964.db2.gz BYUIKWDAGWFUDX-SJJHQCBESA-N 1 1 276.424 3.350 20 30 CGEDMO C=CCN1CCC([NH2+]Cc2cscc2Cl)CC1 ZINC001308247572 933080680 /nfs/dbraw/zinc/08/06/80/933080680.db2.gz UHRGHZDFVRTKGH-UHFFFAOYSA-N 1 1 270.829 3.142 20 30 CGEDMO CC[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2N(C)C)C1 ZINC001308620266 933145210 /nfs/dbraw/zinc/14/52/10/933145210.db2.gz SFXBKGDHCPKSSX-CQSZACIVSA-N 1 1 271.408 3.246 20 30 CGEDMO C#C[C@H](N[C@@H]1CCC[N@H+](CC)C1)c1ccc(Cl)cc1 ZINC001308794679 933177401 /nfs/dbraw/zinc/17/74/01/933177401.db2.gz BHFFNUBHXBMMER-CVEARBPZSA-N 1 1 276.811 3.088 20 30 CGEDMO C#C[C@H]([NH2+][C@@H]1CCCN(CC)C1)c1ccc(Cl)cc1 ZINC001308794679 933177403 /nfs/dbraw/zinc/17/74/03/933177403.db2.gz BHFFNUBHXBMMER-CVEARBPZSA-N 1 1 276.811 3.088 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@H]2C[C@]2(F)c2ccccc2)cc1F ZINC001308829105 933185587 /nfs/dbraw/zinc/18/55/87/933185587.db2.gz CDNGNMKKQGJQCD-IRXDYDNUSA-N 1 1 284.309 3.424 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC[C@]2(C)C(=O)OC(C)(C)C)cc1 ZINC001308890052 933197140 /nfs/dbraw/zinc/19/71/40/933197140.db2.gz SSIMXJIXODAFRJ-LJQANCHMSA-N 1 1 299.414 3.364 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@]2(C)C(=O)OC(C)(C)C)cc1 ZINC001308890052 933197142 /nfs/dbraw/zinc/19/71/42/933197142.db2.gz SSIMXJIXODAFRJ-LJQANCHMSA-N 1 1 299.414 3.364 20 30 CGEDMO C=Cc1ccc(C(=O)NCC[N@H+](CC)CCC(=C)C)cc1 ZINC001317487172 933253443 /nfs/dbraw/zinc/25/34/43/933253443.db2.gz PKGVPELNGRMXAS-UHFFFAOYSA-N 1 1 286.419 3.348 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001317505211 933299061 /nfs/dbraw/zinc/29/90/61/933299061.db2.gz JTXLGXRDYZIGTM-OWCLPIDISA-N 1 1 280.456 3.193 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](CNC(=O)C[C@H](C)CC(C)C)C1 ZINC001317531770 933360646 /nfs/dbraw/zinc/36/06/46/933360646.db2.gz DOFRJFPXOQTVNO-HZPDHXFCSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC1(NC(=O)NC[C@H]2CCCC[N@@H+]2C)CCCCC1 ZINC001313376172 933448088 /nfs/dbraw/zinc/44/80/88/933448088.db2.gz MOCVHWGXMWOAAL-OAHLLOKOSA-N 1 1 293.455 3.049 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)CC(C)C)C1 ZINC001317134064 933473906 /nfs/dbraw/zinc/47/39/06/933473906.db2.gz SNMIQQYZOGFDJC-HOTGVXAUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)[C@@H]1CCCC[C@H]1CC)C1CC1 ZINC001316929713 933497777 /nfs/dbraw/zinc/49/77/77/933497777.db2.gz HOUOWLXUVKTIFL-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@@H](C)CCC)C1 ZINC001317035333 933519948 /nfs/dbraw/zinc/51/99/48/933519948.db2.gz KQTYXCNMQVKFLL-IRXDYDNUSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](F)CC ZINC001317096227 933529172 /nfs/dbraw/zinc/52/91/72/933529172.db2.gz RAWNYZBDCMSRSH-WZYMTQMTSA-N 1 1 296.430 3.202 20 30 CGEDMO C=CCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001317097717 933529812 /nfs/dbraw/zinc/52/98/12/933529812.db2.gz HSHJPPWZAYEMJD-ALOPSCKCSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)C2(C)CCCC2)C1 ZINC001317137470 933539786 /nfs/dbraw/zinc/53/97/86/933539786.db2.gz KDEQLRSQSSGFNI-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)CC[C@@H](C)CC)C1 ZINC001317138135 933540049 /nfs/dbraw/zinc/54/00/49/933540049.db2.gz AXNYZICSXNKWCV-JKSUJKDBSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=C)C ZINC001317173995 933548083 /nfs/dbraw/zinc/54/80/83/933548083.db2.gz RGEXZVKQAWLWIS-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)CCC)C1 ZINC001317208844 933553692 /nfs/dbraw/zinc/55/36/92/933553692.db2.gz MCSFJLDVKLNMQX-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCCC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CC(=C)Cl)C1 ZINC001317211139 933555336 /nfs/dbraw/zinc/55/53/36/933555336.db2.gz WTVCTZQIFPETLC-GJZGRUSLSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@@H](CC)C(C)C)C1 ZINC001317380195 933582505 /nfs/dbraw/zinc/58/25/05/933582505.db2.gz AKXTVPHPCNCWPN-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@@H]([N@H+](C)C[C@@H](C)CC)C2)C1 ZINC001317384446 933583199 /nfs/dbraw/zinc/58/31/99/933583199.db2.gz WPRYZDASUSWXKL-GOEBONIOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H](C)C1CCC1 ZINC001317424390 933590522 /nfs/dbraw/zinc/59/05/22/933590522.db2.gz QHJKVRKNPPZLCE-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CCCNC(=O)C1(C)CC1 ZINC001317425275 933592105 /nfs/dbraw/zinc/59/21/05/933592105.db2.gz ZLBICMDPQYXSTK-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C1CCC(C(=O)NCC[N@@H+](C)CCCC2CCC2)CC1 ZINC001317459936 933597036 /nfs/dbraw/zinc/59/70/36/933597036.db2.gz PSAZYAYKGBZPBW-UHFFFAOYSA-N 1 1 292.467 3.361 20 30 CGEDMO CC(C)C#CC(=O)NC[C@H]1CCC[N@H+]1CCCC(C)(C)C ZINC001317500050 933604846 /nfs/dbraw/zinc/60/48/46/933604846.db2.gz UTEVWSQJOPBHSJ-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO CC(C)(C)C#CC(=O)NC[C@@H]1CCC[N@@H+]1CCC(C)(C)C ZINC001317505580 933607492 /nfs/dbraw/zinc/60/74/92/933607492.db2.gz QVTDARQAABHVNI-HNNXBMFYSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)CCCCCC ZINC001317513459 933607828 /nfs/dbraw/zinc/60/78/28/933607828.db2.gz VVOLAOYEDKFUCD-AWEZNQCLSA-N 1 1 286.847 3.290 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)CCCCCC ZINC001317513459 933607836 /nfs/dbraw/zinc/60/78/36/933607836.db2.gz VVOLAOYEDKFUCD-AWEZNQCLSA-N 1 1 286.847 3.290 20 30 CGEDMO C#CCC[N@@H+](CCC)CCNC(=O)[C@@H](C)[C@@H](C)C(C)(C)C ZINC001317544660 933615523 /nfs/dbraw/zinc/61/55/23/933615523.db2.gz QWDFIHAZXHGYCI-JKSUJKDBSA-N 1 1 294.483 3.156 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CCNC(=O)CC(C)(C)C)C1CC1 ZINC001317547656 933618719 /nfs/dbraw/zinc/61/87/19/933618719.db2.gz JMVXCVQLKKNFHR-CQSZACIVSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H](C)CC)c1ccccc1 ZINC001317714270 933635606 /nfs/dbraw/zinc/63/56/06/933635606.db2.gz OTYSQIISSPXEDX-IUODEOHRSA-N 1 1 294.826 3.232 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)/C(C)=C/CC)C1 ZINC001317778674 933648751 /nfs/dbraw/zinc/64/87/51/933648751.db2.gz LHTLUIFZWITCKM-WPBGYSLVSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCC(C)(C)C(=O)NCC[C@H]1CC[N@H+](C[C@H](F)CC)C1 ZINC001317801653 933650972 /nfs/dbraw/zinc/65/09/72/933650972.db2.gz DSZMMPBOEULNBI-LSDHHAIUSA-N 1 1 298.446 3.165 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)C2CC2)C1 ZINC001317926094 933664913 /nfs/dbraw/zinc/66/49/13/933664913.db2.gz AWTJJXIGQIWLFP-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C2(F)CCCCC2)C1 ZINC001317950015 933667617 /nfs/dbraw/zinc/66/76/17/933667617.db2.gz SJPQQFVQUWQQTD-OAHLLOKOSA-N 1 1 296.430 3.206 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC001317943802 933667799 /nfs/dbraw/zinc/66/77/99/933667799.db2.gz WMGXXZIUCRSKFB-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCn1cnn(C[N@H+](C2CC2)C2CCCCC2)c1=S ZINC001317966120 933670287 /nfs/dbraw/zinc/67/02/87/933670287.db2.gz FZPZIMONYKRWRB-UHFFFAOYSA-N 1 1 292.452 3.355 20 30 CGEDMO C=CCn1cnn(C[N@@H+](C2CC2)C2CCCCC2)c1=S ZINC001317966120 933670291 /nfs/dbraw/zinc/67/02/91/933670291.db2.gz FZPZIMONYKRWRB-UHFFFAOYSA-N 1 1 292.452 3.355 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C(CC)CC ZINC001318203962 933694649 /nfs/dbraw/zinc/69/46/49/933694649.db2.gz BWUNDXNCWPBBEJ-XIRDDKMYSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@H+](CCCCCC)C1 ZINC001318281405 933704439 /nfs/dbraw/zinc/70/44/39/933704439.db2.gz HVKWJENRWGFZBS-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2(CC)CCCC2)C1 ZINC001318364129 933715063 /nfs/dbraw/zinc/71/50/63/933715063.db2.gz YETDKCRLCDNCDD-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC(=O)N1CCC2(CC[N@H+](CCCCC)C2)CC1 ZINC001319140010 933832488 /nfs/dbraw/zinc/83/24/88/933832488.db2.gz OHCPWTHOVJYVMA-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N(C)CC[N@H+](C)C[C@@H](C)CC ZINC001320043180 933985670 /nfs/dbraw/zinc/98/56/70/933985670.db2.gz RRFAJULVLYMZFA-GOEBONIOSA-N 1 1 268.445 3.025 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)[C@H](F)CC1CCCCC1 ZINC001320073348 933991940 /nfs/dbraw/zinc/99/19/40/933991940.db2.gz YFXKAFRKVGXLBH-MRXNPFEDSA-N 1 1 298.446 3.261 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2ccccc2N2CCCC2)C1 ZINC001320085829 933995019 /nfs/dbraw/zinc/99/50/19/933995019.db2.gz IYCMKRNKEWZDOD-KRWDZBQOSA-N 1 1 286.419 3.064 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)/C(C)=C\CC)CC[C@@H]21 ZINC001320097475 933999959 /nfs/dbraw/zinc/99/99/59/933999959.db2.gz MJEZQARHEYBTOV-GKQNIKTISA-N 1 1 290.451 3.232 20 30 CGEDMO C=C/C(C)=C/CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CC(=C)C)C1 ZINC001320105005 934002276 /nfs/dbraw/zinc/00/22/76/934002276.db2.gz VSSXVWIFRXDJKE-RMBMISDLSA-N 1 1 288.435 3.008 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2CN(C(=O)CCCCCC)CC[C@H]21 ZINC001320115936 934003850 /nfs/dbraw/zinc/00/38/50/934003850.db2.gz QTGCLGRLHHVTCX-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO C#CC[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])CC1CC1 ZINC001320134547 934008044 /nfs/dbraw/zinc/00/80/44/934008044.db2.gz DLBZIZZAZTUDLP-UHFFFAOYSA-N 1 1 278.739 3.093 20 30 CGEDMO C#CC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])CC1CC1 ZINC001320134547 934008047 /nfs/dbraw/zinc/00/80/47/934008047.db2.gz DLBZIZZAZTUDLP-UHFFFAOYSA-N 1 1 278.739 3.093 20 30 CGEDMO C=C[C@H](CC(=O)Nc1cc(C)[nH+]c(C)c1)c1ccccc1 ZINC001320269096 934023112 /nfs/dbraw/zinc/02/31/12/934023112.db2.gz RDNTXACKLCFJCV-OAHLLOKOSA-N 1 1 280.371 3.419 20 30 CGEDMO CCOc1ccc2c(c1)C[N@@H+]([C@H](C)CCC#N)CC2 ZINC001320670340 934084033 /nfs/dbraw/zinc/08/40/33/934084033.db2.gz JAXGQTSBBKSUFT-CYBMUJFWSA-N 1 1 258.365 3.136 20 30 CGEDMO C=C(C)CCC(=O)N(CC)CC[NH2+]C/C(Cl)=C/Cl ZINC001320746775 934097204 /nfs/dbraw/zinc/09/72/04/934097204.db2.gz UECFQIGPBLRVLU-XFXZXTDPSA-N 1 1 293.238 3.100 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)NC[C@@H]1CCC[N@@H+]1CCC ZINC001470086193 937747910 /nfs/dbraw/zinc/74/79/10/937747910.db2.gz BBYKKLXCFXCDNW-HNNXBMFYSA-N 1 1 295.471 3.152 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@H](C)NC(=O)C1(C)CCCC1 ZINC001322211070 934258830 /nfs/dbraw/zinc/25/88/30/934258830.db2.gz SPKRGQWMGOTMOQ-GJZGRUSLSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC(=O)NCC[N@H+](CC#CC)C1CCCCCC1 ZINC001323708808 934420327 /nfs/dbraw/zinc/42/03/27/934420327.db2.gz NJVUKJBNGXHAIK-UHFFFAOYSA-N 1 1 290.451 3.117 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](CCCOc2ccccc2C)C1 ZINC001323731022 934421885 /nfs/dbraw/zinc/42/18/85/934421885.db2.gz WCJQUFNMOOWLLM-MRXNPFEDSA-N 1 1 275.392 3.041 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(CCN(C(=O)CCCC3CC3)C2)C1 ZINC001323860266 934433359 /nfs/dbraw/zinc/43/33/59/934433359.db2.gz PLBIDFVGQDOHDW-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)CC2CC(C)(C)C2)C1 ZINC001324642775 934537275 /nfs/dbraw/zinc/53/72/75/934537275.db2.gz XUDNIDAMOBYEAD-GOSISDBHSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CC[N@H+](C[C@H]1C[C@@H](C)O[C@@H](C)C1)C1CCCCC1 ZINC001473136768 937794365 /nfs/dbraw/zinc/79/43/65/937794365.db2.gz FVDPFTLHROOSJT-ZSHCYNCHSA-N 1 1 263.425 3.458 20 30 CGEDMO C#CC[N@@H+](CC1CC1)[C@H](CC)C(=O)N(C)c1ccc(C)cc1 ZINC001473289005 937800401 /nfs/dbraw/zinc/80/04/01/937800401.db2.gz ZVZZUJWADRGNNN-GOSISDBHSA-N 1 1 298.430 3.082 20 30 CGEDMO C#CC[C@@H](NCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC001473332479 937801670 /nfs/dbraw/zinc/80/16/70/937801670.db2.gz ZAMITTOMLVIHKN-ZIFCJYIRSA-N 1 1 284.447 3.319 20 30 CGEDMO C#CC[C@@H]([NH2+]CCN1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC001473332479 937801671 /nfs/dbraw/zinc/80/16/71/937801671.db2.gz ZAMITTOMLVIHKN-ZIFCJYIRSA-N 1 1 284.447 3.319 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC001473325950 937801940 /nfs/dbraw/zinc/80/19/40/937801940.db2.gz APUCXZBLMUNXPQ-WMZOPIPTSA-N 1 1 286.419 3.158 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@](C)(CNC(=O)C2=CCCC2)C1 ZINC001324925667 934872567 /nfs/dbraw/zinc/87/25/67/934872567.db2.gz CTFQFNKXEWAILN-INIZCTEOSA-N 1 1 296.842 3.068 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)C2=CCCC2)C1 ZINC001324925667 934872574 /nfs/dbraw/zinc/87/25/74/934872574.db2.gz CTFQFNKXEWAILN-INIZCTEOSA-N 1 1 296.842 3.068 20 30 CGEDMO C#CCCCC(=O)NC[C@@]1(C)CCC[N@H+](CCCCC)C1 ZINC001324925699 934872825 /nfs/dbraw/zinc/87/28/25/934872825.db2.gz DHOHFLRKPUUJJF-GOSISDBHSA-N 1 1 292.467 3.198 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@]1(C)CCC[N@@H+](CC2CCC2)C1 ZINC001324936997 934873586 /nfs/dbraw/zinc/87/35/86/934873586.db2.gz RJUPBEPPEBEBAY-GOSISDBHSA-N 1 1 292.467 3.361 20 30 CGEDMO CC(C)C[N@H+](CCC#N)Cc1ccc(-c2cnn(C)c2)cc1 ZINC001324972711 934877509 /nfs/dbraw/zinc/87/75/09/934877509.db2.gz JCWXESBFGKWCRK-UHFFFAOYSA-N 1 1 296.418 3.459 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc(-c2cnn(C)c2)cc1 ZINC001324972711 934877511 /nfs/dbraw/zinc/87/75/11/934877511.db2.gz JCWXESBFGKWCRK-UHFFFAOYSA-N 1 1 296.418 3.459 20 30 CGEDMO C[N@@H+](C[C@@H]1CCCC12CCOCC2)CC(C)(C)C#N ZINC001473497522 937808937 /nfs/dbraw/zinc/80/89/37/937808937.db2.gz CVNYSWDNKZVOHK-AWEZNQCLSA-N 1 1 264.413 3.065 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CN(C(=O)CCCCC(C)C)C[C@H]2C1 ZINC001325765868 934929037 /nfs/dbraw/zinc/92/90/37/934929037.db2.gz BPILBOSLNDZCHM-CALCHBBNSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](CCc2ccc(F)cc2Cl)C1 ZINC001325928801 934940731 /nfs/dbraw/zinc/94/07/31/934940731.db2.gz TYFFPKIPPRMMKK-CQSZACIVSA-N 1 1 283.774 3.299 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]2C[N@H+](CCCCC)C[C@H]21 ZINC001325945631 934940831 /nfs/dbraw/zinc/94/08/31/934940831.db2.gz GSBJMBXIVFSBJS-DLBZAZTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)CC[C@H](C)CC)[C@@H]2C1 ZINC001325954330 934941986 /nfs/dbraw/zinc/94/19/86/934941986.db2.gz AXZXIJNWJVIVKS-IXDOHACOSA-N 1 1 292.467 3.312 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@H](C)[C@H]1CCNC(=O)OC(C)(C)C ZINC001473609268 937813596 /nfs/dbraw/zinc/81/35/96/937813596.db2.gz MOVPMMIMPXHJTC-HUUCEWRRSA-N 1 1 294.439 3.025 20 30 CGEDMO CC[N@@H+](CCCC1(C#N)CCOCC1)C(C)(C)C ZINC001326516470 934987275 /nfs/dbraw/zinc/98/72/75/934987275.db2.gz HGOMAOLNCZQHAX-UHFFFAOYSA-N 1 1 252.402 3.207 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OCC)c(F)c1)CC1CC1 ZINC001326642198 934997269 /nfs/dbraw/zinc/99/72/69/934997269.db2.gz HYMPEEKYZOQOBB-UHFFFAOYSA-N 1 1 261.340 3.070 20 30 CGEDMO Cc1ccccc1OCCC[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC001473705360 937818196 /nfs/dbraw/zinc/81/81/96/937818196.db2.gz AJKDCHCPJNQLNM-JKSUJKDBSA-N 1 1 272.392 3.388 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001326787528 935006476 /nfs/dbraw/zinc/00/64/76/935006476.db2.gz QVFLDBNEAPXODY-HIFRSBDPSA-N 1 1 299.374 3.479 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001326787528 935006480 /nfs/dbraw/zinc/00/64/80/935006480.db2.gz QVFLDBNEAPXODY-HIFRSBDPSA-N 1 1 299.374 3.479 20 30 CGEDMO C=CCC(C)(C)C(=O)N(C)CCC[N@H+](C)CC(C)C ZINC001327265920 935049524 /nfs/dbraw/zinc/04/95/24/935049524.db2.gz WASQCIFVXYLSKU-UHFFFAOYSA-N 1 1 268.445 3.025 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC1CCC(O)CC1 ZINC001327545415 935069462 /nfs/dbraw/zinc/06/94/62/935069462.db2.gz FCTFSILHPPPIAG-AWRGBYNESA-N 1 1 298.430 3.309 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)C1(C)CCCCC1 ZINC001328763391 935167337 /nfs/dbraw/zinc/16/73/37/935167337.db2.gz CIXFODOCKBVKGP-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@@H]2C[N@@H+](C)C/C=C/Cl)C1 ZINC001328763954 935167771 /nfs/dbraw/zinc/16/77/71/935167771.db2.gz HEPNHJDKBKTQJL-HZRUHFOJSA-N 1 1 296.842 3.018 20 30 CGEDMO C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@@H](C)CC(C)(C)C ZINC001328766225 935167992 /nfs/dbraw/zinc/16/79/92/935167992.db2.gz RAPSEQZYYBAMJD-CVEARBPZSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)CCC ZINC001328764574 935168102 /nfs/dbraw/zinc/16/81/02/935168102.db2.gz LYAWUHQMJUGADR-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)c1cccc(Cl)c1 ZINC001328786095 935168997 /nfs/dbraw/zinc/16/89/97/935168997.db2.gz MEHOHPSLRLDEQH-OAHLLOKOSA-N 1 1 292.810 3.062 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)c1ccccc1C ZINC001329623140 935234321 /nfs/dbraw/zinc/23/43/21/935234321.db2.gz IHJBABVXDUISPN-JKSUJKDBSA-N 1 1 288.435 3.111 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2nsc3ccccc23)C1 ZINC001329875971 935250927 /nfs/dbraw/zinc/25/09/27/935250927.db2.gz IAXRCNUHTIPYFR-LBPRGKRZSA-N 1 1 274.389 3.073 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2nsc3ccccc23)C1 ZINC001329875971 935250929 /nfs/dbraw/zinc/25/09/29/935250929.db2.gz IAXRCNUHTIPYFR-LBPRGKRZSA-N 1 1 274.389 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)/C=C(\C)CC)C[C@@H]2C1 ZINC001330453285 935288357 /nfs/dbraw/zinc/28/83/57/935288357.db2.gz JFPIXBRHSUJGEK-CQLHJBOCSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCCC)C[C@H]2C1 ZINC001330465669 935290417 /nfs/dbraw/zinc/29/04/17/935290417.db2.gz FCLSNWPFKUUUTD-BRWVUGGUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CCC(=O)N1CC2(C1)CCC[N@@H+](CCC1CC1)C2 ZINC001330498852 935291347 /nfs/dbraw/zinc/29/13/47/935291347.db2.gz BSZSXGXKNDUJGE-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO CC(C)c1cc([C@H]2CCC[N@@H+](CC3(CC#N)CC3)C2)[nH]n1 ZINC001330723419 935317046 /nfs/dbraw/zinc/31/70/46/935317046.db2.gz UOWOMVYLBNKPAI-AWEZNQCLSA-N 1 1 286.423 3.406 20 30 CGEDMO CC(C)c1cc([C@H]2CCC[N@H+](CC3(CC#N)CC3)C2)n[nH]1 ZINC001330723419 935317051 /nfs/dbraw/zinc/31/70/51/935317051.db2.gz UOWOMVYLBNKPAI-AWEZNQCLSA-N 1 1 286.423 3.406 20 30 CGEDMO CC(C)c1cc([C@H]2CCC[N@@H+](CC3(CC#N)CC3)C2)n[nH]1 ZINC001330723419 935317058 /nfs/dbraw/zinc/31/70/58/935317058.db2.gz UOWOMVYLBNKPAI-AWEZNQCLSA-N 1 1 286.423 3.406 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)C(CC)CC)CCC[C@H]12 ZINC001332070085 935437671 /nfs/dbraw/zinc/43/76/71/935437671.db2.gz MVPRGVIUGOLLHR-DOTOQJQBSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)CCC3(C)CC3)CCC[C@H]12 ZINC001332110586 935440303 /nfs/dbraw/zinc/44/03/03/935440303.db2.gz JMCSYJSARRPLBV-MAUKXSAKSA-N 1 1 290.451 3.256 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CCC(C)C)[C@H]1C ZINC001332199304 935449053 /nfs/dbraw/zinc/44/90/53/935449053.db2.gz OGLVUGSTKHGFFL-LSDHHAIUSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C2(CF)CCC2)[C@@H]1C ZINC001332204619 935449221 /nfs/dbraw/zinc/44/92/21/935449221.db2.gz HYWXIXJALOJMGA-GJZGRUSLSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)C[C@H]1C=CCCC1)C(C)C ZINC001332710942 935484160 /nfs/dbraw/zinc/48/41/60/935484160.db2.gz NAQOVSCGWBENJN-KRWDZBQOSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)[C@@H]1CCC1(C)C)C(C)C ZINC001332725009 935485437 /nfs/dbraw/zinc/48/54/37/935485437.db2.gz XQZDQDJKPOLCFN-HNNXBMFYSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)C[C@@H]2CC[C@@H](C)C2)CC1 ZINC001333395296 935532429 /nfs/dbraw/zinc/53/24/29/935532429.db2.gz NYSQBFIWWFBTPM-NVXWUHKLSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C[C@H](CC)CC(=O)Nc1cccnc1-n1cc[nH+]c1C ZINC001334142353 936087400 /nfs/dbraw/zinc/08/74/00/936087400.db2.gz JTKNQRHZFBOESA-CYBMUJFWSA-N 1 1 284.363 3.117 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1cnc(CC(F)(F)F)s1 ZINC001335519879 936151087 /nfs/dbraw/zinc/15/10/87/936151087.db2.gz NZVVBCPXWBQNSR-UHFFFAOYSA-N 1 1 264.316 3.256 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cnc(CC(F)(F)F)s1 ZINC001335519879 936151090 /nfs/dbraw/zinc/15/10/90/936151090.db2.gz NZVVBCPXWBQNSR-UHFFFAOYSA-N 1 1 264.316 3.256 20 30 CGEDMO CS[C@H]1CC[C@H]([N@@H+](C)Cc2cc(C#N)cs2)C1 ZINC001337042444 936233695 /nfs/dbraw/zinc/23/36/95/936233695.db2.gz MTIJCLHEONGLBY-RYUDHWBXSA-N 1 1 266.435 3.336 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](C[C@H]2CC3(CO2)CCCCC3)C1 ZINC001473788732 937822269 /nfs/dbraw/zinc/82/22/69/937822269.db2.gz SSPZLIMCIJGWJD-JKSUJKDBSA-N 1 1 261.409 3.071 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1ncn(-c2ccccc2)n1 ZINC001473857047 937825106 /nfs/dbraw/zinc/82/51/06/937825106.db2.gz AWSVZTTYGJOYPK-OAHLLOKOSA-N 1 1 282.391 3.198 20 30 CGEDMO C=CCC[C@@H]1CCC[N@H+]1Cc1ncn(-c2ccccc2)n1 ZINC001473857047 937825107 /nfs/dbraw/zinc/82/51/07/937825107.db2.gz AWSVZTTYGJOYPK-OAHLLOKOSA-N 1 1 282.391 3.198 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2N(C)C)CC(C)(C)C1 ZINC001474389118 937856688 /nfs/dbraw/zinc/85/66/88/937856688.db2.gz GRLHYOGNDORJAM-CQSZACIVSA-N 1 1 285.435 3.492 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccc3c(c2)C[C@@H](C)O3)C1 ZINC001474647762 937873018 /nfs/dbraw/zinc/87/30/18/937873018.db2.gz SWHWHMBIRUVDOX-KGLIPLIRSA-N 1 1 257.377 3.408 20 30 CGEDMO C=CC(C)(C)CCC[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC001474696734 937875768 /nfs/dbraw/zinc/87/57/68/937875768.db2.gz OCCHVYFHZRDSRD-LBPRGKRZSA-N 1 1 255.402 3.299 20 30 CGEDMO C#CC[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C(C)C ZINC001474734138 937877960 /nfs/dbraw/zinc/87/79/60/937877960.db2.gz IFZJHLASLCEZEQ-UHFFFAOYSA-N 1 1 266.728 3.092 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)N(CCC)[C@@H]1CC[N@@H+](C)C1 ZINC001479094382 937916179 /nfs/dbraw/zinc/91/61/79/937916179.db2.gz WAEFRQCWEOHOCN-OAHLLOKOSA-N 1 1 295.471 3.105 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)C(F)F)[C@H]1CC ZINC001479628200 937923543 /nfs/dbraw/zinc/92/35/43/937923543.db2.gz VTACQFUNASQIEV-QWHCGFSZSA-N 1 1 290.398 3.191 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)/C(C)=C\CC)CC(C)(C)C1 ZINC001479743505 937924618 /nfs/dbraw/zinc/92/46/18/937924618.db2.gz CACGKGAGFBDGKI-OWTLUSIOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C(=C)C)CC(C)(C)C1 ZINC001479745865 937925514 /nfs/dbraw/zinc/92/55/14/937925514.db2.gz OZKPVZHEZFQYKT-OAHLLOKOSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCCNC(=O)c1cc(C)cc(F)c1 ZINC001479797430 937925584 /nfs/dbraw/zinc/92/55/84/937925584.db2.gz BIVQSXUTCBRCLC-UHFFFAOYSA-N 1 1 292.398 3.152 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001479859530 937927139 /nfs/dbraw/zinc/92/71/39/937927139.db2.gz HUQKTZIXVDRPKK-WKILWMFISA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@@H+](CC)CCCNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001479850307 937927231 /nfs/dbraw/zinc/92/72/31/937927231.db2.gz ONSKBAJIYXJGNL-BJWYYQGGSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)[C@H]1CCCC[C@@H]1C ZINC001479853029 937927305 /nfs/dbraw/zinc/92/73/05/937927305.db2.gz YSIHVRWIRKGJSF-HOTGVXAUSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)C2=CCCC2)C1 ZINC001479901874 937928471 /nfs/dbraw/zinc/92/84/71/937928471.db2.gz RZQIYACNYFVKGL-ZBFHGGJFSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001479909199 937929031 /nfs/dbraw/zinc/92/90/31/937929031.db2.gz YSOFHRLZPVQXJM-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[N@H+](CC(CC)CC)C2)CCC1 ZINC001479962876 937930355 /nfs/dbraw/zinc/93/03/55/937930355.db2.gz BZRLWTDMTDTPSG-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)C2CC(C)(C)C2)C1 ZINC001480076093 937931619 /nfs/dbraw/zinc/93/16/19/937931619.db2.gz PBIUSCRFGSIBMK-OAHLLOKOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC001480717916 937942800 /nfs/dbraw/zinc/94/28/00/937942800.db2.gz YCILARVTTJRWKM-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](CCCC)C(C)C)C1 ZINC001480743237 937943107 /nfs/dbraw/zinc/94/31/07/937943107.db2.gz XNGMPCUKCNAXAZ-SJORKVTESA-N 1 1 292.467 3.005 20 30 CGEDMO C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@H](CC)C(C)C)C1 ZINC001480737875 937943330 /nfs/dbraw/zinc/94/33/30/937943330.db2.gz AYMPWLARSDHZHH-DLBZAZTESA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C=C(CC)CC ZINC001493093823 937947600 /nfs/dbraw/zinc/94/76/00/937947600.db2.gz QPMSMFJXKOEAFD-AWEZNQCLSA-N 1 1 284.831 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C=C(CC)CC ZINC001493093823 937947602 /nfs/dbraw/zinc/94/76/02/937947602.db2.gz QPMSMFJXKOEAFD-AWEZNQCLSA-N 1 1 284.831 3.066 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)C ZINC001493156490 937947883 /nfs/dbraw/zinc/94/78/83/937947883.db2.gz QFSOYSDXYAGSMN-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)CCC1(C)CC1 ZINC001493147272 937948099 /nfs/dbraw/zinc/94/80/99/937948099.db2.gz BICKVKSSURHVBN-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001493305458 937949199 /nfs/dbraw/zinc/94/91/99/937949199.db2.gz ZCRYCLLWZSNBSZ-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CC[N@H+](CCNC(=O)c1sccc1C(C)C)C1CC1 ZINC001493450597 937950608 /nfs/dbraw/zinc/95/06/08/937950608.db2.gz UODOZYHSRCXFDC-UHFFFAOYSA-N 1 1 292.448 3.252 20 30 CGEDMO C=C(Cl)C[N@H+](CCCNC(=O)C(C)=C1CCC1)C(C)C ZINC001493858273 937951654 /nfs/dbraw/zinc/95/16/54/937951654.db2.gz BOUFPORHEQIGEZ-UHFFFAOYSA-N 1 1 298.858 3.456 20 30 CGEDMO C#CC[N@H+](CCCNC(=O)[C@H]1CC[C@H](CC)CC1)C(C)C ZINC001493875667 937951689 /nfs/dbraw/zinc/95/16/89/937951689.db2.gz UCVYNVDTFZQPTK-QAQDUYKDSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)[C@H](C)C(C)(F)F)C(C)C ZINC001493869998 937951737 /nfs/dbraw/zinc/95/17/37/937951737.db2.gz QDKCHBAEMCWLTM-ZDUSSCGKSA-N 1 1 290.398 3.071 20 30 CGEDMO C#CC[N@H+](CCCNC(=O)CC1CCCCCC1)C(C)C ZINC001493872211 937951755 /nfs/dbraw/zinc/95/17/55/937951755.db2.gz XJFXYGUVLQARRL-UHFFFAOYSA-N 1 1 292.467 3.197 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)C[C@H](C)CCC)C1 ZINC001493942790 937952117 /nfs/dbraw/zinc/95/21/17/937952117.db2.gz RJSIAYFZQLVLQQ-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cc(C)co2)C1 ZINC001493960463 937952377 /nfs/dbraw/zinc/95/23/77/937952377.db2.gz KRRBEFHLURTXBJ-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001493958653 937952521 /nfs/dbraw/zinc/95/25/21/937952521.db2.gz BBRBXMNBNOWZHD-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H](C)C2CCC2)C1 ZINC001493956703 937952607 /nfs/dbraw/zinc/95/26/07/937952607.db2.gz NVVHEOOLBAFLOA-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CC=CCC2)C1 ZINC001493985939 937952735 /nfs/dbraw/zinc/95/27/35/937952735.db2.gz OYBUXXJVLPDSDJ-SJORKVTESA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@H](C)CCC)CC1 ZINC001494191149 937954064 /nfs/dbraw/zinc/95/40/64/937954064.db2.gz OLLVRLNORZUPOR-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001494323647 937954269 /nfs/dbraw/zinc/95/42/69/937954269.db2.gz TWNWFAHZEULVOC-JYJNAYRXSA-N 1 1 280.456 3.193 20 30 CGEDMO C=CCC1(C(=O)NC2C[NH+](CC/C=C\CC)C2)CCCC1 ZINC001494511708 937955071 /nfs/dbraw/zinc/95/50/71/937955071.db2.gz VLEBDHGYHFICFP-WAYWQWQTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)CCC ZINC001494647735 937955278 /nfs/dbraw/zinc/95/52/78/937955278.db2.gz DHKSBCQTQJRLDX-PMPSAXMXSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C(CC)CC)C1 ZINC001494715092 937955480 /nfs/dbraw/zinc/95/54/80/937955480.db2.gz JZADNNITRVNJCC-ZBFHGGJFSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC001494704504 937955649 /nfs/dbraw/zinc/95/56/49/937955649.db2.gz CZYGUECOMIUNOC-HOTGVXAUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@H+](CCCCCC)C1 ZINC001494756290 937955965 /nfs/dbraw/zinc/95/59/65/937955965.db2.gz VAAALIVECBDHAG-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC001494723309 937956061 /nfs/dbraw/zinc/95/60/61/937956061.db2.gz WYJZNVLYTOSZMK-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)c2c(C)coc2C)C1 ZINC001494820789 937956598 /nfs/dbraw/zinc/95/65/98/937956598.db2.gz CWFWMLKYGMOANU-HNNXBMFYSA-N 1 1 290.407 3.009 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](N(CC)C(=O)C[C@H](C)CCCCC)C1 ZINC001494912116 937957380 /nfs/dbraw/zinc/95/73/80/937957380.db2.gz DOXUHZNNWCATBR-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[C@@H]1CCC ZINC001496732400 937963840 /nfs/dbraw/zinc/96/38/40/937963840.db2.gz ASNJGSCALJPPAL-HOTGVXAUSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)c1ccc2cc[nH]c2c1 ZINC001496791596 937964264 /nfs/dbraw/zinc/96/42/64/937964264.db2.gz ITEWXFSVXCXVGQ-UHFFFAOYSA-N 1 1 299.418 3.138 20 30 CGEDMO C=CCCCC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CC2CCC2)C1 ZINC001496865204 937964599 /nfs/dbraw/zinc/96/45/99/937964599.db2.gz WHXKTSDMSBRREG-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)c1oc(C)cc1C ZINC001498253586 937968610 /nfs/dbraw/zinc/96/86/10/937968610.db2.gz GGEDGTKOVUKGGJ-KGLIPLIRSA-N 1 1 292.423 3.301 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)c1cc2cc(C)ccc2[nH]1 ZINC001498349646 937969300 /nfs/dbraw/zinc/96/93/00/937969300.db2.gz OIXYWODYXZZSGF-AWEZNQCLSA-N 1 1 299.418 3.103 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)c1cc(C)c(F)c(C)c1 ZINC001498461203 937969739 /nfs/dbraw/zinc/96/97/39/937969739.db2.gz QLPCXKZNTGYIEM-AWEZNQCLSA-N 1 1 292.398 3.069 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)C1(C)CCCCCC1 ZINC001498997198 937971711 /nfs/dbraw/zinc/97/17/11/937971711.db2.gz GGVHEVIMXKXAGZ-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001498978637 937971820 /nfs/dbraw/zinc/97/18/20/937971820.db2.gz HVBRIARVRPFWHM-HRCADAONSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H]1CC[N@@H+]1CC/C=C\CC ZINC001499059050 937972092 /nfs/dbraw/zinc/97/20/92/937972092.db2.gz ZNESFKSWCPMGTF-CAUIONCQSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@]2(CC[N@H+](CCC(=C)C)C2)C1 ZINC001499604583 937974059 /nfs/dbraw/zinc/97/40/59/937974059.db2.gz WDWNGOJCEGPLCL-SFHVURJKSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)CCCC(C)C)C1 ZINC001500261195 937976581 /nfs/dbraw/zinc/97/65/81/937976581.db2.gz JAYSGMOMEQPFRD-HNNXBMFYSA-N 1 1 286.847 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)CCCC(C)C)C1 ZINC001500261195 937976582 /nfs/dbraw/zinc/97/65/82/937976582.db2.gz JAYSGMOMEQPFRD-HNNXBMFYSA-N 1 1 286.847 3.146 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@](C)(CNC(=O)C2CC=CC2)C1 ZINC001500486017 937977602 /nfs/dbraw/zinc/97/76/02/937977602.db2.gz ZOPIPLHTBMYSLE-GOSISDBHSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)C2(C)CC=CC2)C1 ZINC001500519659 937977734 /nfs/dbraw/zinc/97/77/34/937977734.db2.gz QSXVBEIIYRXUAM-QGZVFWFLSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC(C)(C)CC ZINC001501386661 937979395 /nfs/dbraw/zinc/97/93/95/937979395.db2.gz LYLHCYFEZGSKRZ-HOTGVXAUSA-N 1 1 292.467 3.454 20 30 CGEDMO CC#CC[N@H+](C)CCCN(C)C(=O)[C@@](C)(CC)CCC ZINC001502385110 937982058 /nfs/dbraw/zinc/98/20/58/937982058.db2.gz JTAXMCWPJSCAGB-KRWDZBQOSA-N 1 1 280.456 3.006 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NCc1ccc2c(c1)C[N@H+](CC)C2 ZINC001502650900 937982913 /nfs/dbraw/zinc/98/29/13/937982913.db2.gz RGKXEVXCNODVNG-AWEZNQCLSA-N 1 1 286.419 3.241 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)/C(C)=C/CC)C[C@H]1C ZINC001502905383 937983818 /nfs/dbraw/zinc/98/38/18/937983818.db2.gz ASNVQFAHXHFILS-MMJTVPDGSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)c1ccccc1C ZINC001505419270 937985173 /nfs/dbraw/zinc/98/51/73/937985173.db2.gz MBANNOMCZVDLFW-INIZCTEOSA-N 1 1 286.419 3.108 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)C1CC=CC1 ZINC001505425267 937985191 /nfs/dbraw/zinc/98/51/91/937985191.db2.gz AEGGNAOLXUWMKA-DOTOQJQBSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C/C(C)=C\CC(=O)N1CCC[C@H]1C[N@H+](C)CC(=C)C ZINC001505441427 937985363 /nfs/dbraw/zinc/98/53/63/937985363.db2.gz CYMUCGWISMNQSH-TYWAAFNRSA-N 1 1 276.424 3.008 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)C[C@@H](C)CC(C)(C)C ZINC001506007279 937988791 /nfs/dbraw/zinc/98/87/91/937988791.db2.gz AJBYDDOEGABTQH-HUUCEWRRSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[N@H+](CCCC(C)C)CC1(C)C ZINC001506726788 937991495 /nfs/dbraw/zinc/99/14/95/937991495.db2.gz FVBKTIKUISERTE-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C=C)CC)C(C)(C)C1 ZINC001506749915 937991894 /nfs/dbraw/zinc/99/18/94/937991894.db2.gz VJUVIJOIYJUMJT-JKSUJKDBSA-N 1 1 292.467 3.382 20 30 CGEDMO C#CC[N@H+](C)C1CCN(C(=O)C[C@H](C)CCCCC)CC1 ZINC001506964159 937993224 /nfs/dbraw/zinc/99/32/24/937993224.db2.gz FOGHFNWDGHZWLD-MRXNPFEDSA-N 1 1 292.467 3.149 20 30 CGEDMO C#CC[N@H+](C)C1CCN(C(=O)C(C)(C)CC(C)(C)C)CC1 ZINC001506977831 937993275 /nfs/dbraw/zinc/99/32/75/937993275.db2.gz OKOUUVSDDVJCAW-UHFFFAOYSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C2CC(C)(C)C2)[C@@H]1C ZINC001507375587 937995599 /nfs/dbraw/zinc/99/55/99/937995599.db2.gz WPXPMSVFKTXFOR-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CCC[N@H+](CCCC)[C@H]1C ZINC001507382736 937995664 /nfs/dbraw/zinc/99/56/64/937995664.db2.gz MTZCMIVFYPKDGV-GJZGRUSLSA-N 1 1 266.429 3.112 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)CCN(C(=O)c1ccco1)C(C)C ZINC001507744591 937996618 /nfs/dbraw/zinc/99/66/18/937996618.db2.gz GPFJZZWAWDGOAD-HNNXBMFYSA-N 1 1 292.423 3.417 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1)C(C)C ZINC001507813505 937996836 /nfs/dbraw/zinc/99/68/36/937996836.db2.gz PUWDDKNCASHQEM-BRWVUGGUSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)[C@@H](C)[C@H](C)C(C)(C)C)CC1 ZINC001508225580 937998804 /nfs/dbraw/zinc/99/88/04/937998804.db2.gz TWJVPKYHYUOERW-GJZGRUSLSA-N 1 1 292.467 3.239 20 30 CGEDMO CCCCCCCC(=O)N1[C@H](C)C[N@@H+](C)[C@@H](C)[C@H]1C ZINC001527120335 938060239 /nfs/dbraw/zinc/06/02/39/938060239.db2.gz WMECZTNIJHQQHL-QLFBSQMISA-N 1 1 268.445 3.286 20 30 CGEDMO CCCCCCCC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001530262601 938076839 /nfs/dbraw/zinc/07/68/39/938076839.db2.gz FQYHPNIQFBBAPL-JKSUJKDBSA-N 1 1 280.456 3.480 20 30 CGEDMO N#CCCCCC(=O)Nc1cccc2c1C[N@H+](C1CC1)C2 ZINC001556070771 938201642 /nfs/dbraw/zinc/20/16/42/938201642.db2.gz NLMYGWRZEWLVBF-UHFFFAOYSA-N 1 1 283.375 3.187 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)c1ccc(C2CC2)cc1 ZINC001556466746 938203929 /nfs/dbraw/zinc/20/39/29/938203929.db2.gz LAVYUKMGSPIDHP-UHFFFAOYSA-N 1 1 286.419 3.144 20 30 CGEDMO Cc1cc(C#N)cc(NC(=O)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC001557005514 938207158 /nfs/dbraw/zinc/20/71/58/938207158.db2.gz ZTPBBZODGVIZIU-KRWDZBQOSA-N 1 1 293.370 3.108 20 30 CGEDMO CC[N@@H+](CCCNc1ccnc(C#N)c1)C1CCCCC1 ZINC001559229143 938223022 /nfs/dbraw/zinc/22/30/22/938223022.db2.gz BFTGSLDQMSOQEW-UHFFFAOYSA-N 1 1 286.423 3.410 20 30 CGEDMO Cc1cc(NC[C@@H]2CC[N@H+]2C2CCCCC2)ncc1C#N ZINC001559238379 938223217 /nfs/dbraw/zinc/22/32/17/938223217.db2.gz HQBXEFXOONZHKZ-INIZCTEOSA-N 1 1 284.407 3.081 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)C[C@H]1COC2(CCCCC2)O1 ZINC001559578471 938230080 /nfs/dbraw/zinc/23/00/80/938230080.db2.gz MGEZAOOPPYXBQE-INIZCTEOSA-N 1 1 294.439 3.324 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)C[C@H]1COC2(CCCCC2)O1 ZINC001559578471 938230081 /nfs/dbraw/zinc/23/00/81/938230081.db2.gz MGEZAOOPPYXBQE-INIZCTEOSA-N 1 1 294.439 3.324 20 30 CGEDMO C[N@H+](Cc1cc2ccccc2o1)Cc1cncc(C#N)c1 ZINC001559591276 938230331 /nfs/dbraw/zinc/23/03/31/938230331.db2.gz VAZYFGPQJPPVPC-UHFFFAOYSA-N 1 1 277.327 3.331 20 30 CGEDMO C[N@@H+](Cc1cc2ccccc2o1)Cc1cncc(C#N)c1 ZINC001559591276 938230332 /nfs/dbraw/zinc/23/03/32/938230332.db2.gz VAZYFGPQJPPVPC-UHFFFAOYSA-N 1 1 277.327 3.331 20 30 CGEDMO Cc1nnc(C[N@H+](Cc2ccc(C#N)cc2C)C(C)(C)C)o1 ZINC001559611037 938231000 /nfs/dbraw/zinc/23/10/00/938231000.db2.gz MXYDSFXBAFMKKP-UHFFFAOYSA-N 1 1 298.390 3.359 20 30 CGEDMO Cc1nnc(C[N@@H+](Cc2ccc(C#N)cc2C)C(C)(C)C)o1 ZINC001559611037 938231001 /nfs/dbraw/zinc/23/10/01/938231001.db2.gz MXYDSFXBAFMKKP-UHFFFAOYSA-N 1 1 298.390 3.359 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC001559746578 938234250 /nfs/dbraw/zinc/23/42/50/938234250.db2.gz DRKDDMIOCYWSJI-CYBMUJFWSA-N 1 1 286.202 3.370 20 30 CGEDMO CC(C)(C)[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC001559788239 938235744 /nfs/dbraw/zinc/23/57/44/938235744.db2.gz ZEJVDSNKRVOMIA-SJORKVTESA-N 1 1 286.419 3.350 20 30 CGEDMO C#CC[N@@H+](CCCn1ccnc1)[C@H]1CCCc2ccccc21 ZINC001560172031 938245870 /nfs/dbraw/zinc/24/58/70/938245870.db2.gz MIEWMGOLLCVAGM-IBGZPJMESA-N 1 1 293.414 3.286 20 30 CGEDMO Cc1cc([C@@H]2CCCC[N@H+]2CCc2ccc(C#N)cc2)[nH]n1 ZINC001560173809 938246130 /nfs/dbraw/zinc/24/61/30/938246130.db2.gz PEPURFFOHDVBAL-SFHVURJKSA-N 1 1 294.402 3.360 20 30 CGEDMO Cc1cc([C@@H]2CCCC[N@@H+]2CCc2ccc(C#N)cc2)n[nH]1 ZINC001560173809 938246131 /nfs/dbraw/zinc/24/61/31/938246131.db2.gz PEPURFFOHDVBAL-SFHVURJKSA-N 1 1 294.402 3.360 20 30 CGEDMO Cc1cc([C@@H]2CCCC[N@H+]2CCc2ccc(C#N)cc2)n[nH]1 ZINC001560173809 938246132 /nfs/dbraw/zinc/24/61/32/938246132.db2.gz PEPURFFOHDVBAL-SFHVURJKSA-N 1 1 294.402 3.360 20 30 CGEDMO C=CCOCC[N@@H+]1C[C@@H](c2ccccc2)CC1(C)C ZINC001560188323 938246486 /nfs/dbraw/zinc/24/64/86/938246486.db2.gz YZENJYWGXHVLFQ-INIZCTEOSA-N 1 1 259.393 3.457 20 30 CGEDMO C#C[C@@H]1CCCC[N@@H+]1Cc1ccc([Si](C)(C)C)cc1 ZINC001560209718 938247374 /nfs/dbraw/zinc/24/73/74/938247374.db2.gz VRADIXZHGWCKJJ-MRXNPFEDSA-N 1 1 271.480 3.220 20 30 CGEDMO C#C[C@H]1CCCC[N@@H+]1CCOc1ccc(SC)cc1 ZINC001560209763 938247404 /nfs/dbraw/zinc/24/74/04/938247404.db2.gz XGVCGTVKHOYMIS-AWEZNQCLSA-N 1 1 275.417 3.275 20 30 CGEDMO C#CCC1([NH2+]Cc2ccc3nc[nH]c3c2)CCCCC1 ZINC001560600467 938264927 /nfs/dbraw/zinc/26/49/27/938264927.db2.gz LYTUUQNGFFHLJM-UHFFFAOYSA-N 1 1 267.376 3.379 20 30 CGEDMO CN(C)c1ccc(C#N)cc1C[N@@H+](C)CC(C)(C)C ZINC001560645905 938267675 /nfs/dbraw/zinc/26/76/75/938267675.db2.gz IZBBLTSRTYYWCA-UHFFFAOYSA-N 1 1 259.397 3.102 20 30 CGEDMO C=CCCCC[C@@H](C)[NH2+][C@H](CC(=C)C)C(=O)OC ZINC001560968075 938287049 /nfs/dbraw/zinc/28/70/49/938287049.db2.gz VQZBNCKAQOSGAJ-ZIAGYGMSSA-N 1 1 253.386 3.219 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2N(C)C)C1 ZINC001560900741 938282774 /nfs/dbraw/zinc/28/27/74/938282774.db2.gz HIRAIAVVVZGEAC-ZDUSSCGKSA-N 1 1 292.373 3.266 20 30 CGEDMO C=CCCC(C)(C)NC(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC001564118348 938307604 /nfs/dbraw/zinc/30/76/04/938307604.db2.gz KWVKGVVJOKZXLW-OAHLLOKOSA-N 1 1 295.471 3.295 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)c1cc(F)cc(Cl)c1 ZINC001481001170 957700940 /nfs/dbraw/zinc/70/09/40/957700940.db2.gz NTIYOYKFEODIJD-UHFFFAOYSA-N 1 1 298.789 3.107 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCC[C@H](OC3CCC3)C2)CC1 ZINC000930884930 958804203 /nfs/dbraw/zinc/80/42/03/958804203.db2.gz JGOHUAXUPYQSFJ-DQPZFDDXSA-N 1 1 276.424 3.350 20 30 CGEDMO C[N@H+]1CCCC[C@H]1c1ccc(-c2cnc(C#N)c(F)c2)nc1 ZINC001238992750 960413607 /nfs/dbraw/zinc/41/36/07/960413607.db2.gz MOOOFLOMMVCBEV-KRWDZBQOSA-N 1 1 296.349 3.311 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H](CCC)C(C)C ZINC001317430965 960429808 /nfs/dbraw/zinc/42/98/08/960429808.db2.gz CXLQSQDEIWYCGX-DLBZAZTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)CC1CC(C)(C)C1 ZINC001317430150 960430464 /nfs/dbraw/zinc/43/04/64/960430464.db2.gz PBVJPILHJGBRHC-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)CC1CC(C)(C)C1 ZINC001317430149 960432248 /nfs/dbraw/zinc/43/22/48/960432248.db2.gz PBVJPILHJGBRHC-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H](C)C[NH2+]C/C(Cl)=C/Cl ZINC001569016218 960451852 /nfs/dbraw/zinc/45/18/52/960451852.db2.gz QOMJAFXVPXXXND-TZHJSBJOSA-N 1 1 293.238 3.002 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@@H]1CCC[N@@H+](CCC(=C)C)C1 ZINC001566877284 960575742 /nfs/dbraw/zinc/57/57/42/960575742.db2.gz UHKOXAWBLZATRS-SJORKVTESA-N 1 1 292.467 3.383 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H](C)CC ZINC001567243954 960586588 /nfs/dbraw/zinc/58/65/88/960586588.db2.gz BTHBZVXPRBGOLY-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)CC ZINC001565824721 960831511 /nfs/dbraw/zinc/83/15/11/960831511.db2.gz LSEZSQSJMIDWKC-LSDHHAIUSA-N 1 1 280.456 3.310 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)CCC1CCCCC1 ZINC001565833455 960836506 /nfs/dbraw/zinc/83/65/06/960836506.db2.gz OEOGCZSVEZNONB-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CCCC(C)C ZINC001566124220 960887192 /nfs/dbraw/zinc/88/71/92/960887192.db2.gz LIDSEHDNPPCSFA-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C[N@@H+](C)CCCNC(=O)C1CC(C(C)(C)C)C1 ZINC001566521384 960948679 /nfs/dbraw/zinc/94/86/79/960948679.db2.gz QHSXNJZGKOQFAL-UHFFFAOYSA-N 1 1 280.456 3.073 20 30 CGEDMO C#CC[N@@H+](CC)CCCNC(=O)[C@H](C)CC1CCCCC1 ZINC001566574024 960962631 /nfs/dbraw/zinc/96/26/31/960962631.db2.gz DYWHOZJRVVPCIP-MRXNPFEDSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C2(C)CCCCC2)C1 ZINC001566672164 960977562 /nfs/dbraw/zinc/97/75/62/960977562.db2.gz IJQQSQNKXLGZJZ-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)CCCCC ZINC001566758239 961006263 /nfs/dbraw/zinc/00/62/63/961006263.db2.gz FLTZZTVXRJGFQC-IYBDPMFKSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)CCCCC ZINC001566758239 961006288 /nfs/dbraw/zinc/00/62/88/961006288.db2.gz FLTZZTVXRJGFQC-IYBDPMFKSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCF ZINC001566822274 961024166 /nfs/dbraw/zinc/02/41/66/961024166.db2.gz XTVXUONWRNGPLP-BTFYYFJDSA-N 1 1 296.430 3.060 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H](F)CC ZINC001566927711 961062384 /nfs/dbraw/zinc/06/23/84/961062384.db2.gz VCDVNBPUFGISPM-GJZGRUSLSA-N 1 1 298.446 3.308 20 30 CGEDMO CC[C@@H](C)C[N@@H+](C)[C@@H]1CCCN(C(=O)C#CC(C)(C)C)C1 ZINC001567191481 961130776 /nfs/dbraw/zinc/13/07/76/961130776.db2.gz IPUYXSZXUQPWJV-HZPDHXFCSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]([N@H+](C)CCCC)C1 ZINC001567199112 961141523 /nfs/dbraw/zinc/14/15/23/961141523.db2.gz SWCGURBGXHBIFM-WBVHZDCISA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]1CCCNC(=O)CCC ZINC001567243678 961153583 /nfs/dbraw/zinc/15/35/83/961153583.db2.gz OLAAAPVHTMCQNN-OAHLLOKOSA-N 1 1 266.429 3.114 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1CCCNC(=O)c1ccc(C=C)cc1 ZINC001567259343 961158549 /nfs/dbraw/zinc/15/85/49/961158549.db2.gz CQADCFKHQWQJRO-GOSISDBHSA-N 1 1 298.430 3.490 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C(C)(C)C(=C)C ZINC001567257455 961158999 /nfs/dbraw/zinc/15/89/99/961158999.db2.gz OAZVPDWYKAURGA-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@@H+](CC)CCNC(=O)c1ccccc1C1CCC1 ZINC001567352140 961293767 /nfs/dbraw/zinc/29/37/67/961293767.db2.gz HKXKDLIZVKAGNE-UHFFFAOYSA-N 1 1 286.419 3.192 20 30 CGEDMO C=CC[N@@H+](CC)CCNC(=O)c1ccc(C)c(Cl)c1F ZINC001567340024 961293961 /nfs/dbraw/zinc/29/39/61/961293961.db2.gz CTHTUYBWEFXQST-UHFFFAOYSA-N 1 1 298.789 3.025 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](CC)CCCCC)C1 ZINC001567419838 961325953 /nfs/dbraw/zinc/32/59/53/961325953.db2.gz VOCHWKJYRPYKOI-DLBZAZTESA-N 1 1 292.467 3.054 20 30 CGEDMO CC#CC[N@@H+](CCCNC(=O)CC1(C)CCCC1)C(C)C ZINC001567641359 961376444 /nfs/dbraw/zinc/37/64/44/961376444.db2.gz BVRWTLFJWUBVJX-UHFFFAOYSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)c1ccoc1Cl)C(C)C ZINC001567640162 961378437 /nfs/dbraw/zinc/37/84/37/961378437.db2.gz YYFZBOUJRDBICY-UHFFFAOYSA-N 1 1 298.814 3.339 20 30 CGEDMO C=C(Cl)C[N@H+](CCCNC(=O)C[C@@H]1C=CCC1)C(C)C ZINC001567636766 961383918 /nfs/dbraw/zinc/38/39/18/961383918.db2.gz RWFMMDVACAESLO-OAHLLOKOSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC[C@H]1CC[N@H+](CC=C(C)C)C1 ZINC001567706509 961405964 /nfs/dbraw/zinc/40/59/64/961405964.db2.gz ZFSBAUNDWOEABK-INIZCTEOSA-N 1 1 292.467 3.383 20 30 CGEDMO CCCCCCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2C)C1 ZINC001567735444 961415340 /nfs/dbraw/zinc/41/53/40/961415340.db2.gz NOWALULSKJWDLF-ULQDDVLXSA-N 1 1 294.483 3.393 20 30 CGEDMO C=CCCCC(=O)NC1C[NH+](CC/C=C\c2ccccc2)C1 ZINC001567804747 961431923 /nfs/dbraw/zinc/43/19/23/961431923.db2.gz AMRIFMCOBPPNDS-WQLSENKSSA-N 1 1 298.430 3.247 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H](CCCCC)C(C)C)C1 ZINC001567898426 961450856 /nfs/dbraw/zinc/45/08/56/961450856.db2.gz YCFBWMVVJYISII-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)C2(C)CCC2)C1 ZINC001567918401 961463903 /nfs/dbraw/zinc/46/39/03/961463903.db2.gz GTHGJFARZURXGR-CABCVRRESA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)C2(C)CCC2)C1 ZINC001567918402 961464043 /nfs/dbraw/zinc/46/40/43/961464043.db2.gz GTHGJFARZURXGR-GJZGRUSLSA-N 1 1 278.440 3.064 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H](CCC)C(C)C)C1 ZINC001567942634 961473399 /nfs/dbraw/zinc/47/33/99/961473399.db2.gz RBLJGNACSVTLBZ-DLBZAZTESA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)c1cc(C)ccc1F ZINC001568496861 961600986 /nfs/dbraw/zinc/60/09/86/961600986.db2.gz LDVJZUGCWKQHOG-UHFFFAOYSA-N 1 1 292.398 3.104 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)c1cc(C)ccc1C ZINC001568502837 961601484 /nfs/dbraw/zinc/60/14/84/961601484.db2.gz QGRKEJKYWUVNQC-UHFFFAOYSA-N 1 1 288.435 3.273 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@@]1(C)CC=C(C)CC1 ZINC001568506718 961608647 /nfs/dbraw/zinc/60/86/47/961608647.db2.gz UFERTYXGPKDCDN-SFHVURJKSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)C1(C)CC(=C)C1 ZINC001569137656 961696358 /nfs/dbraw/zinc/69/63/58/961696358.db2.gz GKAMKELAUNHKSB-CABCVRRESA-N 1 1 278.440 3.134 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001569141578 961699887 /nfs/dbraw/zinc/69/98/87/961699887.db2.gz SYZZNWWIYLOLQF-DAYGRLMNSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)c1cccc(C)c1 ZINC001569141104 961701665 /nfs/dbraw/zinc/70/16/65/961701665.db2.gz KMRMDYDGTWPSFS-CVEARBPZSA-N 1 1 288.435 3.111 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@H]1[C@H]1CC[N@H+](C(C)C)C1 ZINC001569437295 961767798 /nfs/dbraw/zinc/76/77/98/961767798.db2.gz SFTGZMGNJCTIIK-HOTGVXAUSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001569716529 961829383 /nfs/dbraw/zinc/82/93/83/961829383.db2.gz SVJGBQGAECJIMM-IIDMSEBBSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)C2(F)CCCCC2)C1 ZINC001569723360 961841201 /nfs/dbraw/zinc/84/12/01/961841201.db2.gz FTUNSMQUEYAKRR-INIZCTEOSA-N 1 1 296.430 3.063 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)/C=C(/C)CC)CC1 ZINC001570174786 961915290 /nfs/dbraw/zinc/91/52/90/961915290.db2.gz JMZFOLYACFLWKP-HCYCVZQXSA-N 1 1 284.831 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C2(C)CCC2)CC1 ZINC001570181685 961924371 /nfs/dbraw/zinc/92/43/71/961924371.db2.gz OLNVDIRRVVQVMZ-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C)CC(C)C)CC1 ZINC001570185056 961926591 /nfs/dbraw/zinc/92/65/91/961926591.db2.gz DFNCBXCDOZOSAN-JKSUJKDBSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)C1(F)CCCCC1 ZINC001570216008 961932672 /nfs/dbraw/zinc/93/26/72/961932672.db2.gz RKYPTSVVIOZZHR-UHFFFAOYSA-N 1 1 284.419 3.015 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C(C)(C)C)C(C)(C)C1 ZINC001570395775 961955495 /nfs/dbraw/zinc/95/54/95/961955495.db2.gz QGAAMSFLZAEHDT-KGLIPLIRSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)C(C)=C2CCC2)C[C@H]1C ZINC001570433952 961973369 /nfs/dbraw/zinc/97/33/69/961973369.db2.gz DGGDBOXSHTZZSK-RHSMWYFYSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCC1 ZINC001570532235 961983349 /nfs/dbraw/zinc/98/33/49/961983349.db2.gz BXRRWNDVELQPCA-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO CC#CCCCC(=O)N1CCC[C@H]1C[N@@H+](C)CCC(C)C ZINC001570538684 961983856 /nfs/dbraw/zinc/98/38/56/961983856.db2.gz RLTCSGZHGBVAGA-KRWDZBQOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)CC(C)C ZINC001570543135 961986031 /nfs/dbraw/zinc/98/60/31/961986031.db2.gz CTPHCDFZJCTISR-HNNXBMFYSA-N 1 1 280.456 3.168 20 30 CGEDMO C#CCCCC(=O)NC[C@H](C)[N@@H+](C)CCC1CCCCC1 ZINC001570709563 962052450 /nfs/dbraw/zinc/05/24/50/962052450.db2.gz RMVJEWVVXQKRJJ-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C#CCC[N@H+](C)[C@@H](C)CNC(=O)CCCC1CCCCC1 ZINC001570750641 962073811 /nfs/dbraw/zinc/07/38/11/962073811.db2.gz XCABOSLILVZNFU-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C#CCC[N@H+](C)[C@H](C)CNC(=O)CCCC1CCCCC1 ZINC001570750642 962074471 /nfs/dbraw/zinc/07/44/71/962074471.db2.gz XCABOSLILVZNFU-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H](C)CC)CC1(C)C ZINC001570905191 962106651 /nfs/dbraw/zinc/10/66/51/962106651.db2.gz PDEXNHVEKHFJFO-HUUCEWRRSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1C[N@@H+](CCC2CC2)CC1(C)C ZINC001570905681 962110452 /nfs/dbraw/zinc/11/04/52/962110452.db2.gz XRHPCLQDBGXZCZ-HNNXBMFYSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](CC=C(C)C)CC1(C)C ZINC001570897417 962112542 /nfs/dbraw/zinc/11/25/42/962112542.db2.gz QTHZYWLBHIYLDB-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@H](CC)CCC)C2)C1 ZINC001571049682 962115811 /nfs/dbraw/zinc/11/58/11/962115811.db2.gz XHMRORVTPNDADS-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CCC(=O)N1CC2(C1)CCC[N@@H+](C/C=C\Cl)C2 ZINC001571035123 962121243 /nfs/dbraw/zinc/12/12/43/962121243.db2.gz AEFMFBCYAVGNGO-YWEYNIOJSA-N 1 1 296.842 3.020 20 30 CGEDMO C#CCCCCC(=O)N[C@]12CCC[C@@H]1[N@@H+](CCCC)CC2 ZINC001571498937 962166566 /nfs/dbraw/zinc/16/65/66/962166566.db2.gz KTFGJYXATRBVBE-WMZOPIPTSA-N 1 1 290.451 3.093 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C(=O)c1ccccc1)C(C)C ZINC001571609396 962187573 /nfs/dbraw/zinc/18/75/73/962187573.db2.gz FGQUCWGGWGXJSV-UHFFFAOYSA-N 1 1 288.435 3.435 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@@H]2CCN[C@@H](c3ccccc3)C2)s1 ZINC001580065819 962686181 /nfs/dbraw/zinc/68/61/81/962686181.db2.gz TWDONGHFUPPEJO-RHSMWYFYSA-N 1 1 297.427 3.203 20 30 CGEDMO CC[C@H]1CC[C@H](C)[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000124585971 187144053 /nfs/dbraw/zinc/14/40/53/187144053.db2.gz DDEIFFOHDUZALA-BBRMVZONSA-N 1 1 285.391 3.150 20 30 CGEDMO CCn1cc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)cn1 ZINC000350661646 219045679 /nfs/dbraw/zinc/04/56/79/219045679.db2.gz RDFMAHPMZLVCPO-UHFFFAOYSA-N 1 1 296.418 3.433 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2Cc2ccccc2)o1 ZINC000124965624 187163502 /nfs/dbraw/zinc/16/35/02/187163502.db2.gz ZJZKWOPAHCYLAD-HNNXBMFYSA-N 1 1 266.344 3.358 20 30 CGEDMO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCN(CC)C2)C1 ZINC000651692899 398270243 /nfs/dbraw/zinc/27/02/43/398270243.db2.gz WBKJEAVFRXJFRZ-PMPSAXMXSA-N 1 1 250.430 3.053 20 30 CGEDMO COc1ccccc1[C@H]1CCCC[N@H+]1CCOCCC#N ZINC000590160098 346833574 /nfs/dbraw/zinc/83/35/74/346833574.db2.gz JJMKKFGPHBZRMG-MRXNPFEDSA-N 1 1 288.391 3.152 20 30 CGEDMO C=CC[C@H]1CC[C@H](Nc2cc(CCOC)cc[nH+]2)C1 ZINC000651805586 398290169 /nfs/dbraw/zinc/29/01/69/398290169.db2.gz WLDYBSFFDBWJLL-ZFWWWQNUSA-N 1 1 260.381 3.427 20 30 CGEDMO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)c2noc(COC(C)C)n2)C1 ZINC000651814795 398291658 /nfs/dbraw/zinc/29/16/58/398291658.db2.gz LFWDTSJHVQHQBO-MCIONIFRSA-N 1 1 293.411 3.390 20 30 CGEDMO C=CC[C@H]1CC[C@H]([NH2+]Cc2ncn(-c3ccccc3)n2)C1 ZINC000651817485 398292296 /nfs/dbraw/zinc/29/22/96/398292296.db2.gz NIOZSRMDQWKGPL-GJZGRUSLSA-N 1 1 282.391 3.102 20 30 CGEDMO C[C@H]([NH2+][C@H]1C[C@H](C)n2ccnc21)c1ccc(C#N)c(F)c1 ZINC000590779987 346875776 /nfs/dbraw/zinc/87/57/76/346875776.db2.gz VEEHFXABEIEIRU-PGUXBMHVSA-N 1 1 284.338 3.250 20 30 CGEDMO C[C@@H](CCC#N)[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000591015578 346894178 /nfs/dbraw/zinc/89/41/78/346894178.db2.gz GSNSMIVMORASHR-XHNCKOQMSA-N 1 1 288.235 3.351 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000591015578 346894180 /nfs/dbraw/zinc/89/41/80/346894180.db2.gz GSNSMIVMORASHR-XHNCKOQMSA-N 1 1 288.235 3.351 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000591014873 346894480 /nfs/dbraw/zinc/89/44/80/346894480.db2.gz QLTLFMIRLROXLT-HIFRSBDPSA-N 1 1 260.406 3.469 20 30 CGEDMO CCc1ccccc1[C@@H]([NH3+])CN[C@H](C)c1cccc(C#N)c1 ZINC000423504698 529612132 /nfs/dbraw/zinc/61/21/32/529612132.db2.gz NSVRLRJMMMMAII-KUHUBIRLSA-N 1 1 293.414 3.471 20 30 CGEDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C[C@H](C)C1 ZINC000127927231 187341823 /nfs/dbraw/zinc/34/18/23/187341823.db2.gz CZGUKANOTNINPL-LSDHHAIUSA-N 1 1 299.418 3.255 20 30 CGEDMO CC[C@@H](C)[C@@H]1CCCC[N@H+]1Cc1ccncc1C#N ZINC000592072541 346960133 /nfs/dbraw/zinc/96/01/33/346960133.db2.gz PQYIJRYFIZQRDJ-CJNGLKHVSA-N 1 1 257.381 3.354 20 30 CGEDMO C[C@@]1([NH2+]Cc2ccncc2C#N)CCCc2ccccc21 ZINC000592080148 346961688 /nfs/dbraw/zinc/96/16/88/346961688.db2.gz PBQNFLCOWYYWBA-GOSISDBHSA-N 1 1 277.371 3.295 20 30 CGEDMO Cc1cc(C)c([C@H](C)[N@H+]2CC[C@@](O)(CC#N)C2)c(C)c1 ZINC000592151566 346967875 /nfs/dbraw/zinc/96/78/75/346967875.db2.gz NPFFZAZEYXPRAB-RDJZCZTQSA-N 1 1 272.392 3.023 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CC2(CCCC2)O1 ZINC000592195546 346971541 /nfs/dbraw/zinc/97/15/41/346971541.db2.gz UAGILBYLJWLONH-HNNXBMFYSA-N 1 1 284.403 3.286 20 30 CGEDMO C[C@@H]1CC2(C[N@H+]1Cc1ccc(C#N)cc1F)CCOCC2 ZINC000592183754 346970251 /nfs/dbraw/zinc/97/02/51/346970251.db2.gz WOGMMUBMEJWIQO-CYBMUJFWSA-N 1 1 288.366 3.088 20 30 CGEDMO C[N@@H+](CCC(C)(C)C#N)Cc1cc(F)cc(F)c1 ZINC000347115983 529873812 /nfs/dbraw/zinc/87/38/12/529873812.db2.gz DETKNICZWLSNOE-UHFFFAOYSA-N 1 1 252.308 3.336 20 30 CGEDMO CC(C)[C@@H]1[N@@H+](Cc2ccc(C#N)o2)CC12CC=CC2 ZINC000592526586 346996175 /nfs/dbraw/zinc/99/61/75/346996175.db2.gz IDUDMCUUTCAXKF-HNNXBMFYSA-N 1 1 256.349 3.328 20 30 CGEDMO C[N@@H+](CCc1cccs1)Cc1cccc(F)c1C#N ZINC000428256950 529936578 /nfs/dbraw/zinc/93/65/78/529936578.db2.gz ROMHMCQWGQIPIQ-UHFFFAOYSA-N 1 1 274.364 3.433 20 30 CGEDMO CC[C@@H](OCC[N@H+](C)C[C@@H](C)C#N)c1ccccc1 ZINC000593007044 347026396 /nfs/dbraw/zinc/02/63/96/347026396.db2.gz JAUQAQJMMQHOLI-GOEBONIOSA-N 1 1 260.381 3.246 20 30 CGEDMO CC[C@@H](OCC[N@@H+](C)C[C@@H](C)C#N)c1ccccc1 ZINC000593007044 347026398 /nfs/dbraw/zinc/02/63/98/347026398.db2.gz JAUQAQJMMQHOLI-GOEBONIOSA-N 1 1 260.381 3.246 20 30 CGEDMO C[C@@H](CSc1ccccc1)[N@@H+](C)CCOCCC#N ZINC000593046958 347031952 /nfs/dbraw/zinc/03/19/52/347031952.db2.gz VJXKKARLTDWOCH-AWEZNQCLSA-N 1 1 278.421 3.029 20 30 CGEDMO C[C@@H]1CN(CC2(C#N)CC2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000593048852 347032771 /nfs/dbraw/zinc/03/27/71/347032771.db2.gz KDBXFLXBYNYQBN-ZACQAIPSSA-N 1 1 297.446 3.273 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593117981 347042143 /nfs/dbraw/zinc/04/21/43/347042143.db2.gz UOZFKOLUCDEXNS-RISCZKNCSA-N 1 1 262.303 3.350 20 30 CGEDMO C[C@@H](c1ccccc1)[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000020814027 344891800 /nfs/dbraw/zinc/89/18/00/344891800.db2.gz PVCBLLPBFLEKCM-LBPRGKRZSA-N 1 1 299.399 3.251 20 30 CGEDMO C[C@@H](c1ccccc1)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000020814027 344891803 /nfs/dbraw/zinc/89/18/03/344891803.db2.gz PVCBLLPBFLEKCM-LBPRGKRZSA-N 1 1 299.399 3.251 20 30 CGEDMO C=CCNC(=O)C[N@@H+](Cc1ccc(C(C)C)cc1)C1CC1 ZINC000050274903 345079659 /nfs/dbraw/zinc/07/96/59/345079659.db2.gz ANKYLMAQHJTIFY-UHFFFAOYSA-N 1 1 286.419 3.077 20 30 CGEDMO C=CCNC(=O)C[N@H+](Cc1ccc(C(C)C)cc1)C1CC1 ZINC000050274903 345079663 /nfs/dbraw/zinc/07/96/63/345079663.db2.gz ANKYLMAQHJTIFY-UHFFFAOYSA-N 1 1 286.419 3.077 20 30 CGEDMO N#Cc1cccc(NC(=O)C[N@@H+](C2CC2)C2CCCCC2)c1 ZINC000048008763 345058881 /nfs/dbraw/zinc/05/88/81/345058881.db2.gz CQFYJMKMHABRSW-UHFFFAOYSA-N 1 1 297.402 3.294 20 30 CGEDMO COc1ccccc1OCC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000051401221 345090183 /nfs/dbraw/zinc/09/01/83/345090183.db2.gz CDBVXXNDGUVOJV-UHFFFAOYSA-N 1 1 296.370 3.078 20 30 CGEDMO Cc1ccccc1OCC[N@H+](C)Cc1ccc(C#N)cc1 ZINC000052710640 345106873 /nfs/dbraw/zinc/10/68/73/345106873.db2.gz ICGHGOBAPHTZSH-UHFFFAOYSA-N 1 1 280.371 3.378 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)C[C@H]1CCCCO1 ZINC000060942748 345224656 /nfs/dbraw/zinc/22/46/56/345224656.db2.gz XAASCMACWBHUSC-CYBMUJFWSA-N 1 1 251.395 3.305 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]Cc1ccoc1C ZINC000067218126 345317292 /nfs/dbraw/zinc/31/72/92/345317292.db2.gz VCRHYKUYLIFOBL-UHFFFAOYSA-N 1 1 257.333 3.443 20 30 CGEDMO C[C@@H](C#N)C[N@H+](C)CCCOc1ccc(Cl)cc1 ZINC000066469797 345296722 /nfs/dbraw/zinc/29/67/22/345296722.db2.gz LWHORRKXFPXTMY-LBPRGKRZSA-N 1 1 266.772 3.200 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C)CCCOc1ccc(Cl)cc1 ZINC000066469797 345296724 /nfs/dbraw/zinc/29/67/24/345296724.db2.gz LWHORRKXFPXTMY-LBPRGKRZSA-N 1 1 266.772 3.200 20 30 CGEDMO C[C@@H]([NH2+]Cc1nc2ccccc2n1C)c1ccc(C#N)cc1 ZINC000066989679 345311474 /nfs/dbraw/zinc/31/14/74/345311474.db2.gz QHRZWFCTNHXTFR-CYBMUJFWSA-N 1 1 290.370 3.296 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C)Cc1c(O)ccc2ccccc21 ZINC000068870791 345366850 /nfs/dbraw/zinc/36/68/50/345366850.db2.gz OWYSYBKPZPAZMH-LBPRGKRZSA-N 1 1 254.333 3.137 20 30 CGEDMO C[C@H](c1ccco1)[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000072583583 345413855 /nfs/dbraw/zinc/41/38/55/345413855.db2.gz XZXRZVNVXFJSHT-CYBMUJFWSA-N 1 1 297.358 3.173 20 30 CGEDMO CC[C@H]1C[C@H](C)C[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000072698319 345416451 /nfs/dbraw/zinc/41/64/51/345416451.db2.gz PODSTSMBOYMUNP-BBRMVZONSA-N 1 1 285.391 3.007 20 30 CGEDMO CC[C@@H]1C[C@H](C)C[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000075022261 345491058 /nfs/dbraw/zinc/49/10/58/345491058.db2.gz BKSILEXXOPUPIT-DZGCQCFKSA-N 1 1 288.391 3.066 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000076152766 345535429 /nfs/dbraw/zinc/53/54/29/345535429.db2.gz YUDNYHDUMWOPAI-ZWKOTPCHSA-N 1 1 277.371 3.353 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000076152766 345535432 /nfs/dbraw/zinc/53/54/32/345535432.db2.gz YUDNYHDUMWOPAI-ZWKOTPCHSA-N 1 1 277.371 3.353 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCCCNc1ccc(C#N)cn1 ZINC000076795385 345550571 /nfs/dbraw/zinc/55/05/71/345550571.db2.gz HQVCLUUSGOATAR-CQSZACIVSA-N 1 1 272.396 3.020 20 30 CGEDMO C=CCCC[C@H](C)[NH+]1CCN(C(=O)c2cccs2)CC1 ZINC000091507081 345816913 /nfs/dbraw/zinc/81/69/13/345816913.db2.gz VJQXGRFKDUUGRW-AWEZNQCLSA-N 1 1 292.448 3.251 20 30 CGEDMO Cc1ncc([C@H](C)[NH2+]Cc2ccc(C#N)cc2F)s1 ZINC000090408537 345786971 /nfs/dbraw/zinc/78/69/71/345786971.db2.gz ABRQJUKNWCGYTJ-VIFPVBQESA-N 1 1 275.352 3.313 20 30 CGEDMO C[C@@H]([NH2+]Cc1nc2c(s1)CCC2)c1ccc(C#N)cc1 ZINC000093054995 345867720 /nfs/dbraw/zinc/86/77/20/345867720.db2.gz HHALCPSFUXALOE-LLVKDONJSA-N 1 1 283.400 3.354 20 30 CGEDMO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CC(C)(C)CCC#N ZINC000093360394 345876400 /nfs/dbraw/zinc/87/64/00/345876400.db2.gz DOXIATVXMRRHLX-ZDUSSCGKSA-N 1 1 297.443 3.161 20 30 CGEDMO C=CC[N@H+](CCCc1cnn(C)c1)CC1CCCCC1 ZINC000112202371 345953231 /nfs/dbraw/zinc/95/32/31/345953231.db2.gz OSPDTIZVFWOQKL-UHFFFAOYSA-N 1 1 275.440 3.421 20 30 CGEDMO N#CCCC[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117352748 345983645 /nfs/dbraw/zinc/98/36/45/345983645.db2.gz ADOHGEHFQSNLNH-UHFFFAOYSA-N 1 1 274.208 3.107 20 30 CGEDMO N#CCCC[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117352748 345983648 /nfs/dbraw/zinc/98/36/48/345983648.db2.gz ADOHGEHFQSNLNH-UHFFFAOYSA-N 1 1 274.208 3.107 20 30 CGEDMO CC[N@@H+](C)Cc1cccc(CNc2ncccc2C#N)c1 ZINC000138677192 346097803 /nfs/dbraw/zinc/09/78/03/346097803.db2.gz FLVUAYTYRMIPKV-UHFFFAOYSA-N 1 1 280.375 3.017 20 30 CGEDMO CCCCCCCCC(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000141728895 346109271 /nfs/dbraw/zinc/10/92/71/346109271.db2.gz MEOPBMOJWNJFFF-INIZCTEOSA-N 1 1 280.456 3.434 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000179623711 346253374 /nfs/dbraw/zinc/25/33/74/346253374.db2.gz AMVIGACXIRDNEZ-JTQLQIEISA-N 1 1 274.311 3.394 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000179623711 346253380 /nfs/dbraw/zinc/25/33/80/346253380.db2.gz AMVIGACXIRDNEZ-JTQLQIEISA-N 1 1 274.311 3.394 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000185909317 346259207 /nfs/dbraw/zinc/25/92/07/346259207.db2.gz DZTINVNCDRNQKO-HOTGVXAUSA-N 1 1 280.456 3.073 20 30 CGEDMO Cn1cc(CNc2cccc3cc[nH+]cc32)cc1C#N ZINC000232315571 346325270 /nfs/dbraw/zinc/32/52/70/346325270.db2.gz GIEODPJQEMLGOV-UHFFFAOYSA-N 1 1 262.316 3.057 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)c(F)c1 ZINC000311942529 346475615 /nfs/dbraw/zinc/47/56/15/346475615.db2.gz KSLUYYUESQCIGY-NSHDSACASA-N 1 1 272.245 3.082 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C2)c(F)c1 ZINC000311942529 346475616 /nfs/dbraw/zinc/47/56/16/346475616.db2.gz KSLUYYUESQCIGY-NSHDSACASA-N 1 1 272.245 3.082 20 30 CGEDMO CCOc1ccc(C[NH2+]CC2(C#N)CCCC2)cc1OC ZINC000593652327 347099243 /nfs/dbraw/zinc/09/92/43/347099243.db2.gz CBSNJSIHFXJPBT-UHFFFAOYSA-N 1 1 288.391 3.267 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc(OC(F)F)cc2)CCCC1 ZINC000593649384 347099194 /nfs/dbraw/zinc/09/91/94/347099194.db2.gz BNHQDAICFWAAPC-UHFFFAOYSA-N 1 1 280.318 3.462 20 30 CGEDMO CC[C@@H]1C[N@H+](Cc2cc(C#N)cs2)[C@@H](CC)CO1 ZINC000593662038 347101934 /nfs/dbraw/zinc/10/19/34/347101934.db2.gz XHVPFPKSSJFXAO-QWHCGFSZSA-N 1 1 264.394 3.009 20 30 CGEDMO CC[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)[C@@H](CC)CO1 ZINC000593662038 347101938 /nfs/dbraw/zinc/10/19/38/347101938.db2.gz XHVPFPKSSJFXAO-QWHCGFSZSA-N 1 1 264.394 3.009 20 30 CGEDMO CC[C@@H]1C[N@@H+](CCCC(C)(C)C#N)[C@H](CC)CO1 ZINC000403870164 346598350 /nfs/dbraw/zinc/59/83/50/346598350.db2.gz LCDLQSQXVVVAEP-ZIAGYGMSSA-N 1 1 252.402 3.206 20 30 CGEDMO C[N@@H+](CCCCC(C)(C)C#N)Cc1ccns1 ZINC000404459010 346599571 /nfs/dbraw/zinc/59/95/71/346599571.db2.gz ROGNDIDAYCWBIF-UHFFFAOYSA-N 1 1 251.399 3.295 20 30 CGEDMO N#Cc1cccc2c1C[N@H+](CCCCC1CCOCC1)C2 ZINC000405078165 346602236 /nfs/dbraw/zinc/60/22/36/346602236.db2.gz DAWWTBYNBCTUMH-UHFFFAOYSA-N 1 1 284.403 3.471 20 30 CGEDMO N#Cc1cccc2c1C[N@@H+](CCCCC1CCOCC1)C2 ZINC000405078165 346602240 /nfs/dbraw/zinc/60/22/40/346602240.db2.gz DAWWTBYNBCTUMH-UHFFFAOYSA-N 1 1 284.403 3.471 20 30 CGEDMO C[C@H]1C[C@@H](NCC(C)(C)C#N)CC[N@H+]1Cc1ccccc1 ZINC000405216993 346603684 /nfs/dbraw/zinc/60/36/84/346603684.db2.gz ITSUNYCBXPLDRO-RDJZCZTQSA-N 1 1 285.435 3.179 20 30 CGEDMO CS[C@@H]1CC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000449446778 346619426 /nfs/dbraw/zinc/61/94/26/346619426.db2.gz TXTJLMHHGLGQPD-MRXNPFEDSA-N 1 1 290.432 3.306 20 30 CGEDMO N#Cc1cc(C[NH+]2CCC(CC(F)(F)F)CC2)ccn1 ZINC000585755783 346729825 /nfs/dbraw/zinc/72/98/25/346729825.db2.gz NDWZQVRDCYESPO-UHFFFAOYSA-N 1 1 283.297 3.118 20 30 CGEDMO Cc1cccc2c1CC[C@@H]2[NH2+]Cc1nc(C#N)cs1 ZINC000589312605 346793452 /nfs/dbraw/zinc/79/34/52/346793452.db2.gz YEBIOCRXMVRNDN-AWEZNQCLSA-N 1 1 269.373 3.100 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]C[C@@H](OC)c1ccc(Cl)cc1 ZINC000594006550 347135735 /nfs/dbraw/zinc/13/57/35/347135735.db2.gz FZLFEKIPWQJCGS-UONOGXRCSA-N 1 1 266.772 3.309 20 30 CGEDMO CCc1csc(CC2CC[NH+](CC3(C#N)CC3)CC2)n1 ZINC000594019125 347138653 /nfs/dbraw/zinc/13/86/53/347138653.db2.gz HCWSWVOFSUXKIL-UHFFFAOYSA-N 1 1 289.448 3.264 20 30 CGEDMO CC(C)[N@@H+](C)CCCNCc1ccc(C(C)(C)C#N)cc1 ZINC000594495314 347178334 /nfs/dbraw/zinc/17/83/34/347178334.db2.gz QGXXWYILVJTRRZ-UHFFFAOYSA-N 1 1 287.451 3.308 20 30 CGEDMO CCCC[N@H+](C)CCNCc1ccc(C(C)(C)C#N)cc1 ZINC000594499909 347180240 /nfs/dbraw/zinc/18/02/40/347180240.db2.gz FCRYDUNZLYZDTN-UHFFFAOYSA-N 1 1 287.451 3.309 20 30 CGEDMO CCCC[N@@H+](C)CCNCc1ccc(C(C)(C)C#N)cc1 ZINC000594499909 347180242 /nfs/dbraw/zinc/18/02/42/347180242.db2.gz FCRYDUNZLYZDTN-UHFFFAOYSA-N 1 1 287.451 3.309 20 30 CGEDMO CC[NH+]1CCC(NC2(c3ccc(C#N)cc3)CCC2)CC1 ZINC000594517008 347186517 /nfs/dbraw/zinc/18/65/17/347186517.db2.gz UBYNAYGRLMMLLI-UHFFFAOYSA-N 1 1 283.419 3.011 20 30 CGEDMO N#Cc1ccc(C[NH2+]CC2(C#N)CCCCC2)cc1 ZINC000594994847 347251381 /nfs/dbraw/zinc/25/13/81/347251381.db2.gz NQKKNEPDNNNVLY-UHFFFAOYSA-N 1 1 253.349 3.122 20 30 CGEDMO COc1cc(C[NH2+]CC2(C#N)CCCCC2)ccc1C#N ZINC000594980789 347248088 /nfs/dbraw/zinc/24/80/88/347248088.db2.gz ASEJMSKRRCJLSY-UHFFFAOYSA-N 1 1 283.375 3.131 20 30 CGEDMO N#Cc1ccc(C[NH2+]CC2(C#N)CCCCC2)cc1F ZINC000594982063 347248633 /nfs/dbraw/zinc/24/86/33/347248633.db2.gz YDVIOQSVILKPNZ-UHFFFAOYSA-N 1 1 271.339 3.261 20 30 CGEDMO C[N@H+](Cc1cc(C2CC2)no1)Cc1ccc(C#N)cc1 ZINC000595290124 347287377 /nfs/dbraw/zinc/28/73/77/347287377.db2.gz VJLUUIFUSFBVFM-UHFFFAOYSA-N 1 1 267.332 3.056 20 30 CGEDMO C[N@@H+](Cc1cc(C2CC2)no1)Cc1ccc(C#N)cc1 ZINC000595290124 347287380 /nfs/dbraw/zinc/28/73/80/347287380.db2.gz VJLUUIFUSFBVFM-UHFFFAOYSA-N 1 1 267.332 3.056 20 30 CGEDMO C[N@@H+](CCc1ccc(C#N)cc1)C1Cc2ccccc2C1 ZINC000595294679 347288194 /nfs/dbraw/zinc/28/81/94/347288194.db2.gz BQKSQNPAXZJTPC-UHFFFAOYSA-N 1 1 276.383 3.200 20 30 CGEDMO CO[C@@H](C[N@H+]1CCC[C@](C)(C#N)C1)C1CCCCC1 ZINC000595426642 347301378 /nfs/dbraw/zinc/30/13/78/347301378.db2.gz PCADIPDWBGGCLN-JKSUJKDBSA-N 1 1 264.413 3.207 20 30 CGEDMO C[N@@H+](CCc1ccc(C#N)cc1)C[C@@H]1CC=CCC1 ZINC000595426719 347301390 /nfs/dbraw/zinc/30/13/90/347301390.db2.gz PZIMWGWPXKQSLB-QGZVFWFLSA-N 1 1 254.377 3.389 20 30 CGEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595404666 347299553 /nfs/dbraw/zinc/29/95/53/347299553.db2.gz RRGOJYDIQHCSFN-QGZVFWFLSA-N 1 1 294.402 3.278 20 30 CGEDMO CO[C@@H](C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1)C1CCC1 ZINC000595408829 347299560 /nfs/dbraw/zinc/29/95/60/347299560.db2.gz TZZFVAZWMKWJND-IBGZPJMESA-N 1 1 296.414 3.462 20 30 CGEDMO CC[C@@H](C)[N@@H+](CC)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000595600144 347324354 /nfs/dbraw/zinc/32/43/54/347324354.db2.gz MQBGNKOGJXQKOC-LLVKDONJSA-N 1 1 261.325 3.087 20 30 CGEDMO Cc1nc2ccccc2nc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595609040 347325617 /nfs/dbraw/zinc/32/56/17/347325617.db2.gz FKRUCMBHCUBKOX-CQSZACIVSA-N 1 1 280.375 3.064 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000595614362 347327638 /nfs/dbraw/zinc/32/76/38/347327638.db2.gz LENLJZVIOTWZIF-OAHLLOKOSA-N 1 1 272.779 3.317 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000595614362 347327642 /nfs/dbraw/zinc/32/76/42/347327642.db2.gz LENLJZVIOTWZIF-OAHLLOKOSA-N 1 1 272.779 3.317 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000595613372 347327669 /nfs/dbraw/zinc/32/76/69/347327669.db2.gz CEEKRHSHGFMSKH-BLLLJJGKSA-N 1 1 258.340 3.439 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000595657720 347334113 /nfs/dbraw/zinc/33/41/13/347334113.db2.gz BBBHHRPIOHSBBF-ZDUSSCGKSA-N 1 1 258.340 3.485 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2OC)C1 ZINC000595659950 347334311 /nfs/dbraw/zinc/33/43/11/347334311.db2.gz OKSJOOUDYRUKEL-AWEZNQCLSA-N 1 1 270.376 3.355 20 30 CGEDMO C[C@H](CO)[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000595670757 347335258 /nfs/dbraw/zinc/33/52/58/347335258.db2.gz CFYRWTDJHAKZQR-WBMJQRKESA-N 1 1 292.810 3.195 20 30 CGEDMO C[C@H](CO)[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000595670757 347335262 /nfs/dbraw/zinc/33/52/62/347335262.db2.gz CFYRWTDJHAKZQR-WBMJQRKESA-N 1 1 292.810 3.195 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CCCSCCOC)C1 ZINC000595661611 347335750 /nfs/dbraw/zinc/33/57/50/347335750.db2.gz XQNYJMZMFSECJH-CQSZACIVSA-N 1 1 257.443 3.044 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)[C@@H]1CCO ZINC000595703526 347342156 /nfs/dbraw/zinc/34/21/56/347342156.db2.gz TWLUUKBZYHNNSA-BLLLJJGKSA-N 1 1 292.810 3.195 20 30 CGEDMO CCC1(CC)CCC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000595751537 347349364 /nfs/dbraw/zinc/34/93/64/347349364.db2.gz FAWYPDYMVLLBLG-UHFFFAOYSA-N 1 1 257.381 3.355 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000595750349 347349697 /nfs/dbraw/zinc/34/96/97/347349697.db2.gz MAKIGHFMDYGTSO-LJQANCHMSA-N 1 1 298.430 3.225 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C(C)(C)C ZINC000595766676 347353335 /nfs/dbraw/zinc/35/33/35/347353335.db2.gz YSDFHWCIQCLGGQ-UHFFFAOYSA-N 1 1 273.336 3.253 20 30 CGEDMO C=CC[N@H+](CCC(=O)Nc1ccccc1C#N)C(C)(C)C ZINC000595765204 347353599 /nfs/dbraw/zinc/35/35/99/347353599.db2.gz IMATXIOADHAASK-UHFFFAOYSA-N 1 1 285.391 3.173 20 30 CGEDMO CC[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000595783824 347355161 /nfs/dbraw/zinc/35/51/61/347355161.db2.gz PDIRADXJWKTBAB-CHWSQXEVSA-N 1 1 287.363 3.477 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595785327 347355843 /nfs/dbraw/zinc/35/58/43/347355843.db2.gz DJBCTXDIRAGBAQ-LSDHHAIUSA-N 1 1 264.413 3.207 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCC[C@@H](c3ccncc3)C2)cc1 ZINC000595488543 347310837 /nfs/dbraw/zinc/31/08/37/347310837.db2.gz LOSUQAREZQFVHZ-LJQANCHMSA-N 1 1 291.398 3.375 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@H]1COc1ccccc1C#N ZINC000596236862 347402161 /nfs/dbraw/zinc/40/21/61/347402161.db2.gz NDWVMXMPWAVPFF-HNNXBMFYSA-N 1 1 258.365 3.200 20 30 CGEDMO Cc1cc(NCC[C@@H](C)F)c(C#N)c(NCC[C@@H](C)F)[nH+]1 ZINC000596242859 347403485 /nfs/dbraw/zinc/40/34/85/347403485.db2.gz BQYPPPHJDMSXAF-GHMZBOCLSA-N 1 1 296.365 3.004 20 30 CGEDMO C=C(C)CN(CC)C(=O)NC[C@@H]1CCCC[N@@H+]1CCCC ZINC000595825879 347361100 /nfs/dbraw/zinc/36/11/00/347361100.db2.gz NUCNFXHFXYRCLY-INIZCTEOSA-N 1 1 295.471 3.249 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C(=O)OC)cc1 ZINC000595840656 347365414 /nfs/dbraw/zinc/36/54/14/347365414.db2.gz CJWPKBNNBIERDT-IYBDPMFKSA-N 1 1 271.360 3.156 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595844484 347367505 /nfs/dbraw/zinc/36/75/05/347367505.db2.gz FTPCSZOELNVSJS-OKILXGFUSA-N 1 1 276.311 3.417 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCCC[C@H]2CC2CCC2)ccn1 ZINC000595873380 347369069 /nfs/dbraw/zinc/36/90/69/347369069.db2.gz ZZQUSVLDQWFBCY-KRWDZBQOSA-N 1 1 269.392 3.498 20 30 CGEDMO N#CCCOCC[N@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000595875827 347369203 /nfs/dbraw/zinc/36/92/03/347369203.db2.gz AWIUXFCWBXSUSC-INIZCTEOSA-N 1 1 264.413 3.209 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2CC2CCC2)nc1 ZINC000595869490 347369354 /nfs/dbraw/zinc/36/93/54/347369354.db2.gz AYXGDFADDOTAGK-QGZVFWFLSA-N 1 1 269.392 3.498 20 30 CGEDMO CC(C)(C#N)CCCC[N@@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000595885382 347370027 /nfs/dbraw/zinc/37/00/27/347370027.db2.gz HDFXVUISPXKXEW-GFCCVEGCSA-N 1 1 292.345 3.360 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000595885382 347370029 /nfs/dbraw/zinc/37/00/29/347370029.db2.gz HDFXVUISPXKXEW-GFCCVEGCSA-N 1 1 292.345 3.360 20 30 CGEDMO CC[N@@H+](CCOc1ccccc1OC)[C@@H]1CC[C@@H](C#N)C1 ZINC000595884553 347370054 /nfs/dbraw/zinc/37/00/54/347370054.db2.gz HVABWGMSQQNBOV-HUUCEWRRSA-N 1 1 288.391 3.088 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000595920923 347372455 /nfs/dbraw/zinc/37/24/55/347372455.db2.gz UVRJTZOQXHOCQF-WBMJQRKESA-N 1 1 294.345 3.111 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000595920923 347372457 /nfs/dbraw/zinc/37/24/57/347372457.db2.gz UVRJTZOQXHOCQF-WBMJQRKESA-N 1 1 294.345 3.111 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000597173889 347544371 /nfs/dbraw/zinc/54/43/71/347544371.db2.gz MTGYTRLERMEFBG-LBPRGKRZSA-N 1 1 286.404 3.264 20 30 CGEDMO CCOC[C@H]1CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597011080 347527330 /nfs/dbraw/zinc/52/73/30/347527330.db2.gz TXMWCHWEYBKZRN-KRWDZBQOSA-N 1 1 298.430 3.490 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3CCOC4(CCCC4)C3)cc2)CC1 ZINC000597014380 347527760 /nfs/dbraw/zinc/52/77/60/347527760.db2.gz NNUIHVXCBXQNOR-UHFFFAOYSA-N 1 1 296.414 3.387 20 30 CGEDMO C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@@H](CO)C(C)(C)C ZINC000597025299 347528337 /nfs/dbraw/zinc/52/83/37/347528337.db2.gz BRUXYXCRMQGDRF-INIZCTEOSA-N 1 1 286.419 3.081 20 30 CGEDMO CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597018498 347528544 /nfs/dbraw/zinc/52/85/44/347528544.db2.gz FKGBLIZBFPWSSO-KRWDZBQOSA-N 1 1 297.446 3.015 20 30 CGEDMO C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)C[C@H]1CCCC[C@@H]1O ZINC000597073771 347532910 /nfs/dbraw/zinc/53/29/10/347532910.db2.gz AMSXYVGGQQMINI-AEFFLSMTSA-N 1 1 298.430 3.225 20 30 CGEDMO C[C@]1(C#N)CCC[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597080178 347533710 /nfs/dbraw/zinc/53/37/10/347533710.db2.gz JIUJGXSBHDGLCN-QGZVFWFLSA-N 1 1 279.387 3.367 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597080178 347533716 /nfs/dbraw/zinc/53/37/16/347533716.db2.gz JIUJGXSBHDGLCN-QGZVFWFLSA-N 1 1 279.387 3.367 20 30 CGEDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597115122 347536293 /nfs/dbraw/zinc/53/62/93/347536293.db2.gz HBFAVLIAHJNRCO-KRWDZBQOSA-N 1 1 284.403 3.243 20 30 CGEDMO C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597132029 347538021 /nfs/dbraw/zinc/53/80/21/347538021.db2.gz FYRCWOQURBBEHP-MAUKXSAKSA-N 1 1 297.446 3.014 20 30 CGEDMO C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597132029 347538026 /nfs/dbraw/zinc/53/80/26/347538026.db2.gz FYRCWOQURBBEHP-MAUKXSAKSA-N 1 1 297.446 3.014 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)[C@H](C)C1 ZINC000597132342 347538184 /nfs/dbraw/zinc/53/81/84/347538184.db2.gz PBZMGTTWXBRZCI-PBHICJAKSA-N 1 1 284.403 3.241 20 30 CGEDMO C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597132031 347538397 /nfs/dbraw/zinc/53/83/97/347538397.db2.gz FYRCWOQURBBEHP-YJBOKZPZSA-N 1 1 297.446 3.014 20 30 CGEDMO C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597132031 347538398 /nfs/dbraw/zinc/53/83/98/347538398.db2.gz FYRCWOQURBBEHP-YJBOKZPZSA-N 1 1 297.446 3.014 20 30 CGEDMO N#CC1(c2ccc(C[N@@H+]3CCC[C@H](CCO)CC3)cc2)CC1 ZINC000597153007 347540483 /nfs/dbraw/zinc/54/04/83/347540483.db2.gz FXXKGSYYBPLWGT-INIZCTEOSA-N 1 1 298.430 3.226 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3CCO[C@H](C4CCC4)C3)cc2)CC1 ZINC000597152031 347540584 /nfs/dbraw/zinc/54/05/84/347540584.db2.gz VMWQFGRPXWPGEU-SFHVURJKSA-N 1 1 296.414 3.243 20 30 CGEDMO CCc1cccc2cc(C[NH+]3CC(CC#N)C3)oc21 ZINC000597203913 347554166 /nfs/dbraw/zinc/55/41/66/347554166.db2.gz QRXQDBDCSZHMAA-UHFFFAOYSA-N 1 1 254.333 3.341 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](CCCCCOc2ccccc2)C1 ZINC000597230435 347558500 /nfs/dbraw/zinc/55/85/00/347558500.db2.gz GOPHRTPWAQCMPO-QGZVFWFLSA-N 1 1 272.392 3.471 20 30 CGEDMO CC1(C)CCc2cc(C[NH+]3CC(CC#N)C3)ccc2O1 ZINC000597193618 347547906 /nfs/dbraw/zinc/54/79/06/347547906.db2.gz IQIQKJWNDWCSLM-UHFFFAOYSA-N 1 1 270.376 3.136 20 30 CGEDMO CC[C@H](NC[C@H]1CCCC[N@H+](C)C1)c1ccc(C#N)cc1 ZINC000599071994 347714304 /nfs/dbraw/zinc/71/43/04/347714304.db2.gz WBBZOIPBZCJGNO-AEFFLSMTSA-N 1 1 285.435 3.331 20 30 CGEDMO CC[C@H](NC[C@H]1CCCC[N@@H+](C)C1)c1ccc(C#N)cc1 ZINC000599071994 347714308 /nfs/dbraw/zinc/71/43/08/347714308.db2.gz WBBZOIPBZCJGNO-AEFFLSMTSA-N 1 1 285.435 3.331 20 30 CGEDMO CC[C@H](NC[C@@H]1CCCC[N@H+](C)C1)c1ccc(C#N)cc1 ZINC000599071997 347714619 /nfs/dbraw/zinc/71/46/19/347714619.db2.gz WBBZOIPBZCJGNO-WMZOPIPTSA-N 1 1 285.435 3.331 20 30 CGEDMO CC[C@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1ccc(C#N)cc1 ZINC000599071997 347714620 /nfs/dbraw/zinc/71/46/20/347714620.db2.gz WBBZOIPBZCJGNO-WMZOPIPTSA-N 1 1 285.435 3.331 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@@H+](Cc1ccco1)C1CCCC1 ZINC000598586413 347666650 /nfs/dbraw/zinc/66/66/50/347666650.db2.gz UDZBLDZKBQILBA-HNNXBMFYSA-N 1 1 290.407 3.325 20 30 CGEDMO C[N@@H+](CCCCc1ccccc1)C[C@@H](O)CC(C)(C)C#N ZINC000598586676 347666807 /nfs/dbraw/zinc/66/68/07/347666807.db2.gz WGJGRWQOJIOKIL-KRWDZBQOSA-N 1 1 288.435 3.242 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000598585261 347666993 /nfs/dbraw/zinc/66/69/93/347666993.db2.gz BCRGLAOKPMXHCH-JKSUJKDBSA-N 1 1 278.440 3.332 20 30 CGEDMO Cc1ccc([C@@H]2CCC[N@H+]2C[C@H](O)CC(C)(C)C#N)o1 ZINC000598592119 347667397 /nfs/dbraw/zinc/66/73/97/347667397.db2.gz FXHOANYYHBMFPA-KGLIPLIRSA-N 1 1 276.380 3.026 20 30 CGEDMO CCCCC[N@@H+](C[C@H](O)CC(C)(C)C#N)C(C)C ZINC000598589559 347667681 /nfs/dbraw/zinc/66/76/81/347667681.db2.gz PEOJASIDMZPHCC-CQSZACIVSA-N 1 1 254.418 3.188 20 30 CGEDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598593240 347668320 /nfs/dbraw/zinc/66/83/20/347668320.db2.gz RCAATVRMDLTFDS-IRXDYDNUSA-N 1 1 288.435 3.240 20 30 CGEDMO CC(C)(C)[C@H]1CCC[N@@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598611318 347671460 /nfs/dbraw/zinc/67/14/60/347671460.db2.gz MHXZLUNLNZGBRP-UONOGXRCSA-N 1 1 266.429 3.045 20 30 CGEDMO C[N@H+](Cc1cc(Cl)ccc1F)C[C@@H](O)CC(C)(C)C#N ZINC000598612062 347671489 /nfs/dbraw/zinc/67/14/89/347671489.db2.gz YRWFYBQXTJHRQT-ZDUSSCGKSA-N 1 1 298.789 3.212 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000598627102 347673235 /nfs/dbraw/zinc/67/32/35/347673235.db2.gz PFEBJEAMIHBMJI-CVEARBPZSA-N 1 1 278.440 3.189 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000599641336 347761749 /nfs/dbraw/zinc/76/17/49/347761749.db2.gz NJYRMFSNMDBPPJ-AWEZNQCLSA-N 1 1 288.395 3.039 20 30 CGEDMO Cc1ncsc1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677336 347763838 /nfs/dbraw/zinc/76/38/38/347763838.db2.gz FKBBZEFVQRUAJF-UHFFFAOYSA-N 1 1 283.400 3.076 20 30 CGEDMO Cc1ncsc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677336 347763839 /nfs/dbraw/zinc/76/38/39/347763839.db2.gz FKBBZEFVQRUAJF-UHFFFAOYSA-N 1 1 283.400 3.076 20 30 CGEDMO Cc1ccc(C[N@H+](C)[C@@H](CO)c2ccccc2)cc1C#N ZINC000599283931 347731435 /nfs/dbraw/zinc/73/14/35/347731435.db2.gz HYBLBPNNMYJVAI-SFHVURJKSA-N 1 1 280.371 3.032 20 30 CGEDMO CCCN1CCC([N@H+](C)Cc2ccc(C)c(C#N)c2)CC1 ZINC000599314638 347735183 /nfs/dbraw/zinc/73/51/83/347735183.db2.gz HIBSFLPEFZNWPD-UHFFFAOYSA-N 1 1 285.435 3.173 20 30 CGEDMO CCCN1CCC([N@@H+](C)Cc2ccc(C)c(C#N)c2)CC1 ZINC000599314638 347735184 /nfs/dbraw/zinc/73/51/84/347735184.db2.gz HIBSFLPEFZNWPD-UHFFFAOYSA-N 1 1 285.435 3.173 20 30 CGEDMO CCO[C@H](C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1)C1CC1 ZINC000599342744 347737412 /nfs/dbraw/zinc/73/74/12/347737412.db2.gz UPGUBABFXIRYDO-LJQANCHMSA-N 1 1 296.414 3.462 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)cc1C#N ZINC000599352583 347738020 /nfs/dbraw/zinc/73/80/20/347738020.db2.gz DHJOPPQHPICXPJ-IAGOWNOFSA-N 1 1 286.419 3.096 20 30 CGEDMO COC[C@@H]([NH2+]Cc1ccc(C)c(C#N)c1)c1ccc(C)o1 ZINC000599358734 347739674 /nfs/dbraw/zinc/73/96/74/347739674.db2.gz HAZNIWWZIYNYQY-MRXNPFEDSA-N 1 1 284.359 3.245 20 30 CGEDMO Cc1ccc(C[N@H+]2CCOC[C@H](C3CCC3)C2)cc1C#N ZINC000599425447 347742802 /nfs/dbraw/zinc/74/28/02/347742802.db2.gz HQEMYHFCAIGNIF-GOSISDBHSA-N 1 1 284.403 3.115 20 30 CGEDMO Cc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1C#N ZINC000599424803 347743266 /nfs/dbraw/zinc/74/32/66/347743266.db2.gz VOUYYFHWEGJABF-ROUUACIJSA-N 1 1 296.414 3.400 20 30 CGEDMO Cc1ccc(C[N@H+]2C[C@H](C)OCC23CCC3)cc1C#N ZINC000599451294 347746015 /nfs/dbraw/zinc/74/60/15/347746015.db2.gz VWOLDQXBIAYVSP-AWEZNQCLSA-N 1 1 270.376 3.010 20 30 CGEDMO Cc1ccc(C[N@@H+]2C[C@H](C)OCC23CCC3)cc1C#N ZINC000599451294 347746017 /nfs/dbraw/zinc/74/60/17/347746017.db2.gz VWOLDQXBIAYVSP-AWEZNQCLSA-N 1 1 270.376 3.010 20 30 CGEDMO Cc1ccc(C[N@@H+]2CC3(C[C@@H]2C)CCOCC3)cc1C#N ZINC000599451157 347746236 /nfs/dbraw/zinc/74/62/36/347746236.db2.gz BYJHCJKGIQNIOW-HNNXBMFYSA-N 1 1 284.403 3.258 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cc(C(=O)OC)ccc2F)C1 ZINC000599528772 347751432 /nfs/dbraw/zinc/75/14/32/347751432.db2.gz HHDCGHGGRPMEJS-LBPRGKRZSA-N 1 1 277.339 3.010 20 30 CGEDMO N#CC1(CCC[N@H+]2CC[C@H]3CC[C@@H](C2)S3)CCOCC1 ZINC000599552829 347753462 /nfs/dbraw/zinc/75/34/62/347753462.db2.gz JKSFIIPTNSYPSV-CABCVRRESA-N 1 1 294.464 3.057 20 30 CGEDMO N#Cc1ccccc1OCC[N@@H+]1CCCC(F)(F)CC1 ZINC000599550896 347753740 /nfs/dbraw/zinc/75/37/40/347753740.db2.gz DKECHPVPPBBSAN-UHFFFAOYSA-N 1 1 280.318 3.058 20 30 CGEDMO N#CCc1cccc2c1CC[N@H+](Cc1cnc(C3CC3)o1)C2 ZINC000600213349 347793955 /nfs/dbraw/zinc/79/39/55/347793955.db2.gz USTAKVOWDZOYLQ-UHFFFAOYSA-N 1 1 293.370 3.176 20 30 CGEDMO N#CCc1cccc2c1CC[N@@H+](Cc1cnc(C3CC3)o1)C2 ZINC000600213349 347793960 /nfs/dbraw/zinc/79/39/60/347793960.db2.gz USTAKVOWDZOYLQ-UHFFFAOYSA-N 1 1 293.370 3.176 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCOc2cc(F)ccc2C1 ZINC000600214275 347794871 /nfs/dbraw/zinc/79/48/71/347794871.db2.gz VHDPHLHDBPOQEH-UHFFFAOYSA-N 1 1 276.355 3.350 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cccc(C(=O)OCC)n2)C1 ZINC000600180176 347789819 /nfs/dbraw/zinc/78/98/19/347789819.db2.gz HRJQGXBCXDVULR-CQSZACIVSA-N 1 1 288.391 3.046 20 30 CGEDMO C[C@H]1CCC[N@H+]1Cc1ccc(-c2cnn(CC#N)c2)cc1 ZINC000600779019 347834746 /nfs/dbraw/zinc/83/47/46/347834746.db2.gz MQRHNHHAMHPFKP-AWEZNQCLSA-N 1 1 280.375 3.058 20 30 CGEDMO N#Cc1cc(Cl)ccc1SCCC[NH+]1CCOCC1 ZINC000601911699 347922799 /nfs/dbraw/zinc/92/27/99/347922799.db2.gz IIFFZRIFABCJAE-UHFFFAOYSA-N 1 1 296.823 3.026 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000602438502 347958255 /nfs/dbraw/zinc/95/82/55/347958255.db2.gz DTQMHKPMFUGHTD-CYBMUJFWSA-N 1 1 287.363 3.499 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000602472845 347964001 /nfs/dbraw/zinc/96/40/01/347964001.db2.gz CRWZNDCKNLEXHU-HOCLYGCPSA-N 1 1 264.413 3.350 20 30 CGEDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1cccc(C#N)n1 ZINC000602473182 347964130 /nfs/dbraw/zinc/96/41/30/347964130.db2.gz LNQCXSLLUMWZGL-GDBMZVCRSA-N 1 1 277.371 3.331 20 30 CGEDMO CCCO[C@H]1CCC[N@@H+](C[C@@H](C)CCC#N)CC1 ZINC000602474858 347965139 /nfs/dbraw/zinc/96/51/39/347965139.db2.gz ODVSORCJBPMZHW-GJZGRUSLSA-N 1 1 252.402 3.207 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000602480116 347965987 /nfs/dbraw/zinc/96/59/87/347965987.db2.gz SYICQVHKCHOJSD-UMVBOHGHSA-N 1 1 278.421 3.450 20 30 CGEDMO N#Cc1cccc(C[NH2+][C@H]2CCSc3ccc(F)cc32)n1 ZINC000602501515 347970367 /nfs/dbraw/zinc/97/03/67/347970367.db2.gz HVKBQDCLOYVXMJ-HNNXBMFYSA-N 1 1 299.374 3.419 20 30 CGEDMO CC(C)C[C@H]([NH2+]C[C@H](C)CCC#N)C(=O)OC(C)(C)C ZINC000602589302 347989754 /nfs/dbraw/zinc/98/97/54/347989754.db2.gz TXNFVSUAOLETTG-KGLIPLIRSA-N 1 1 282.428 3.272 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000602606323 347992197 /nfs/dbraw/zinc/99/21/97/347992197.db2.gz OXTSPPXSIBSADZ-CVEARBPZSA-N 1 1 272.392 3.327 20 30 CGEDMO C[C@H](C#N)CN[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602607474 347993083 /nfs/dbraw/zinc/99/30/83/347993083.db2.gz LBCGKHVMNNVYRB-UWWQBHOKSA-N 1 1 283.419 3.104 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000602612082 347993560 /nfs/dbraw/zinc/99/35/60/347993560.db2.gz YZBOTASQWHRAKF-WMZOPIPTSA-N 1 1 283.419 3.139 20 30 CGEDMO Cc1cc(C)cc(C[N@H+](C)Cc2cccc(C#N)n2)c1 ZINC000602631782 347997858 /nfs/dbraw/zinc/99/78/58/347997858.db2.gz HKAZUODDWVFTSV-UHFFFAOYSA-N 1 1 265.360 3.202 20 30 CGEDMO C[C@@H]1c2ccccc2OCC[N@@H+]1CC1(CC#N)CC1 ZINC000602785646 348028371 /nfs/dbraw/zinc/02/83/71/348028371.db2.gz ANAYGLSLNUSWTL-CYBMUJFWSA-N 1 1 256.349 3.136 20 30 CGEDMO COC[C@H](Cc1ccccc1)[N@@H+](C)C[C@H](C)CCC#N ZINC000602641438 347999321 /nfs/dbraw/zinc/99/93/21/347999321.db2.gz FEZXSPVCMMCOHU-WBVHZDCISA-N 1 1 274.408 3.116 20 30 CGEDMO N#CCC1(C[N@H+](CCCO)[C@H]2CCCc3ccccc32)CC1 ZINC000602783079 348028509 /nfs/dbraw/zinc/02/85/09/348028509.db2.gz XYDVKRXZVKNKKF-SFHVURJKSA-N 1 1 298.430 3.442 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000602679592 348007284 /nfs/dbraw/zinc/00/72/84/348007284.db2.gz MEXBESMRRUPREX-DOMZBBRYSA-N 1 1 280.799 3.245 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000602684405 348009057 /nfs/dbraw/zinc/00/90/57/348009057.db2.gz XSOFPQWGPGTIOO-MSOLQXFVSA-N 1 1 299.462 3.380 20 30 CGEDMO C[C@H](C(=O)OC(C)(C)C)[N@H+](C[C@@H](C)CCC#N)C1CC1 ZINC000602695238 348011192 /nfs/dbraw/zinc/01/11/92/348011192.db2.gz MOPNWCBBUOQBPA-QWHCGFSZSA-N 1 1 280.412 3.121 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](C3CCCCC3)C2)n1 ZINC000602708706 348014024 /nfs/dbraw/zinc/01/40/24/348014024.db2.gz KTLMUMZGPFBWKU-OAHLLOKOSA-N 1 1 269.392 3.355 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000602711540 348015796 /nfs/dbraw/zinc/01/57/96/348015796.db2.gz PXCANQUJAXHARN-HKUYNNGSSA-N 1 1 299.462 3.175 20 30 CGEDMO C[C@@H](CCC#N)CN1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000602711540 348015798 /nfs/dbraw/zinc/01/57/98/348015798.db2.gz PXCANQUJAXHARN-HKUYNNGSSA-N 1 1 299.462 3.175 20 30 CGEDMO C[C@@H](CCC#N)CN1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000602711540 348015799 /nfs/dbraw/zinc/01/57/99/348015799.db2.gz PXCANQUJAXHARN-HKUYNNGSSA-N 1 1 299.462 3.175 20 30 CGEDMO C[C@@H](CCC#N)C[NH2+]CC(F)(F)c1cccc(F)c1 ZINC000602712393 348015957 /nfs/dbraw/zinc/01/59/57/348015957.db2.gz ZYIYHPMPBXCEAC-NSHDSACASA-N 1 1 270.298 3.447 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000602810255 348032259 /nfs/dbraw/zinc/03/22/59/348032259.db2.gz GHOAIROFJYTXLF-CVEARBPZSA-N 1 1 296.418 3.441 20 30 CGEDMO N#CCC1(C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)CC1 ZINC000602819893 348033866 /nfs/dbraw/zinc/03/38/66/348033866.db2.gz RVPOMKSRZZJUHM-SFHVURJKSA-N 1 1 282.387 3.202 20 30 CGEDMO COc1ncc(C[N@H+]2CCC[C@H](CC#N)C2)c2ccccc21 ZINC000602884580 348040702 /nfs/dbraw/zinc/04/07/02/348040702.db2.gz OKWFSTPWHOALTK-CQSZACIVSA-N 1 1 295.386 3.369 20 30 CGEDMO C[N@H+](Cc1cc2ccccc2[nH]c1=O)[C@H]1CCC[C@H]1C#N ZINC000602978853 348048996 /nfs/dbraw/zinc/04/89/96/348048996.db2.gz XNNHXAHSVHDESI-BBRMVZONSA-N 1 1 281.359 3.064 20 30 CGEDMO C[N@@H+](Cc1cc2ccccc2[nH]c1=O)[C@H]1CCC[C@H]1C#N ZINC000602978853 348049001 /nfs/dbraw/zinc/04/90/01/348049001.db2.gz XNNHXAHSVHDESI-BBRMVZONSA-N 1 1 281.359 3.064 20 30 CGEDMO C[N@@H+](Cc1cccc2cccnc21)[C@@H]1CCC[C@@H]1C#N ZINC000602977184 348049399 /nfs/dbraw/zinc/04/93/99/348049399.db2.gz YXQUDSQLGZSWET-GDBMZVCRSA-N 1 1 265.360 3.359 20 30 CGEDMO C[N@H+](CCSc1ccccc1)[C@@H]1CCC[C@H]1C#N ZINC000602979011 348050507 /nfs/dbraw/zinc/05/05/07/348050507.db2.gz ZXEQILUKZIIZLN-DZGCQCFKSA-N 1 1 260.406 3.403 20 30 CGEDMO C[N@@H+](CCSc1ccccc1)[C@@H]1CCC[C@H]1C#N ZINC000602979011 348050509 /nfs/dbraw/zinc/05/05/09/348050509.db2.gz ZXEQILUKZIIZLN-DZGCQCFKSA-N 1 1 260.406 3.403 20 30 CGEDMO C[N@@H+](C[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CCC[C@H]1C#N ZINC000602981900 348050918 /nfs/dbraw/zinc/05/09/18/348050918.db2.gz KYVCRFACQOPWIA-LUKYLMHMSA-N 1 1 254.377 3.414 20 30 CGEDMO C=CCCCCC[N@H+](C)CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000606902659 348206608 /nfs/dbraw/zinc/20/66/08/348206608.db2.gz IPWUUEPHLGDQBD-HOTGVXAUSA-N 1 1 280.456 3.454 20 30 CGEDMO C[C@H](Nc1[nH+]cnc2[nH]ccc21)c1cccc(C#N)c1 ZINC000610340189 348375626 /nfs/dbraw/zinc/37/56/26/348375626.db2.gz AJYLSJJOCXNCMW-JTQLQIEISA-N 1 1 263.304 3.003 20 30 CGEDMO COCC[N@@H+](CCC#N)CCCc1ccc(Cl)cc1 ZINC000610392353 348380761 /nfs/dbraw/zinc/38/07/61/348380761.db2.gz ZNUFUEZETNKDGT-UHFFFAOYSA-N 1 1 280.799 3.135 20 30 CGEDMO COCC[N@H+](CCC#N)CCCc1ccc(Cl)cc1 ZINC000610392353 348380766 /nfs/dbraw/zinc/38/07/66/348380766.db2.gz ZNUFUEZETNKDGT-UHFFFAOYSA-N 1 1 280.799 3.135 20 30 CGEDMO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1ccnc(C#N)c1 ZINC000610993443 348416771 /nfs/dbraw/zinc/41/67/71/348416771.db2.gz SOFMUTBGJUSVAE-WMLDXEAASA-N 1 1 277.371 3.331 20 30 CGEDMO N#Cc1csc(C[NH2+][C@@H]2COc3c2cccc3Cl)c1 ZINC000610707607 348397523 /nfs/dbraw/zinc/39/75/23/348397523.db2.gz MHONEQFMECHTQM-CYBMUJFWSA-N 1 1 290.775 3.496 20 30 CGEDMO COCC[N@@H+](Cc1ccc(F)c(C#N)c1)C1CCCC1 ZINC000610719261 348398869 /nfs/dbraw/zinc/39/88/69/348398869.db2.gz LMDAQYPHOBONLV-UHFFFAOYSA-N 1 1 276.355 3.088 20 30 CGEDMO CC1(C)C[N@H+](Cc2cc(C#N)cs2)C(C)(C)CO1 ZINC000611272251 348434178 /nfs/dbraw/zinc/43/41/78/348434178.db2.gz RENRCWVOAZGNFY-UHFFFAOYSA-N 1 1 264.394 3.009 20 30 CGEDMO CC1(C)C[N@@H+](Cc2cc(C#N)cs2)C(C)(C)CO1 ZINC000611272251 348434181 /nfs/dbraw/zinc/43/41/81/348434181.db2.gz RENRCWVOAZGNFY-UHFFFAOYSA-N 1 1 264.394 3.009 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)cc1 ZINC000611350561 348441029 /nfs/dbraw/zinc/44/10/29/348441029.db2.gz QNTZYOZLFHCSMO-ZWKOTPCHSA-N 1 1 284.403 3.197 20 30 CGEDMO CC(C)[N@@H+]1CCCC[C@@H]1CN[C@@H](C)c1cccc(C#N)c1 ZINC000611438827 348452464 /nfs/dbraw/zinc/45/24/64/348452464.db2.gz BIZFKLZJLBEENM-MAUKXSAKSA-N 1 1 285.435 3.472 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@@H]1CN[C@@H](C)c1cccc(C#N)c1 ZINC000611438827 348452466 /nfs/dbraw/zinc/45/24/66/348452466.db2.gz BIZFKLZJLBEENM-MAUKXSAKSA-N 1 1 285.435 3.472 20 30 CGEDMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1ccc(C#N)o1 ZINC000611561443 348461004 /nfs/dbraw/zinc/46/10/04/348461004.db2.gz ALOAGMFCRXELHV-NXEZZACHSA-N 1 1 272.270 3.314 20 30 CGEDMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1ccc(C#N)o1 ZINC000611561443 348461006 /nfs/dbraw/zinc/46/10/06/348461006.db2.gz ALOAGMFCRXELHV-NXEZZACHSA-N 1 1 272.270 3.314 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611577251 348462179 /nfs/dbraw/zinc/46/21/79/348462179.db2.gz HBTQVKGADIHNPA-BXUZGUMPSA-N 1 1 280.318 3.323 20 30 CGEDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000612090068 348492991 /nfs/dbraw/zinc/49/29/91/348492991.db2.gz TWHYDSAYZFJUNH-SFHVURJKSA-N 1 1 294.402 3.132 20 30 CGEDMO COc1cccc(CCC[N@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000612161590 348497961 /nfs/dbraw/zinc/49/79/61/348497961.db2.gz CSYFVDOUXYJCRI-QGZVFWFLSA-N 1 1 272.392 3.253 20 30 CGEDMO CC(C)CSCCC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612167108 348499173 /nfs/dbraw/zinc/49/91/73/348499173.db2.gz HYSNDJLNRIWXPI-AWEZNQCLSA-N 1 1 254.443 3.391 20 30 CGEDMO CC(C)(C)c1ccc(C#N)c(N[C@H]2CC[N@@H+](CC3CC3)C2)n1 ZINC000613423162 348599759 /nfs/dbraw/zinc/59/97/59/348599759.db2.gz UHKVZOHDPAKVNV-HNNXBMFYSA-N 1 1 298.434 3.147 20 30 CGEDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1Nc1nc(C(C)(C)C)ccc1C#N ZINC000613429516 348601963 /nfs/dbraw/zinc/60/19/63/348601963.db2.gz MFOLMHMUCNKADS-IUODEOHRSA-N 1 1 298.434 3.145 20 30 CGEDMO CC[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@@H](C)O1 ZINC000614166956 348654582 /nfs/dbraw/zinc/65/45/82/348654582.db2.gz PYYXADWZTWEZQC-PBHICJAKSA-N 1 1 286.419 3.487 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000614402352 348673632 /nfs/dbraw/zinc/67/36/32/348673632.db2.gz USQHVVQQVBPFCP-GOSISDBHSA-N 1 1 284.403 3.259 20 30 CGEDMO CCn1ccc(C[N@H+](C)Cc2cc(C#N)ccc2F)c1 ZINC000616128649 348789065 /nfs/dbraw/zinc/78/90/65/348789065.db2.gz KQUDWECZLRLXOA-UHFFFAOYSA-N 1 1 271.339 3.151 20 30 CGEDMO CCn1ccc(C[N@@H+](C)Cc2cc(C#N)ccc2F)c1 ZINC000616128649 348789067 /nfs/dbraw/zinc/78/90/67/348789067.db2.gz KQUDWECZLRLXOA-UHFFFAOYSA-N 1 1 271.339 3.151 20 30 CGEDMO C=CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000617781938 349010795 /nfs/dbraw/zinc/01/07/95/349010795.db2.gz VVJXYKACEHLESC-NVXWUHKLSA-N 1 1 290.451 3.208 20 30 CGEDMO Cc1cncc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000358561261 233155878 /nfs/dbraw/zinc/15/58/78/233155878.db2.gz GDKCXBXDQPESOL-LBPRGKRZSA-N 1 1 269.323 3.252 20 30 CGEDMO C[C@H]([NH2+]CCN1CCCCCC1)c1ccc(C#N)cc1F ZINC000358580620 233159634 /nfs/dbraw/zinc/15/96/34/233159634.db2.gz YKECMFLWILABFK-AWEZNQCLSA-N 1 1 289.398 3.224 20 30 CGEDMO Cc1nc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)nc2ccccc12 ZINC000618568523 349107247 /nfs/dbraw/zinc/10/72/47/349107247.db2.gz DDZVRSCDECPVSP-KGLIPLIRSA-N 1 1 280.375 3.110 20 30 CGEDMO C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1cscn1 ZINC000618805705 349156666 /nfs/dbraw/zinc/15/66/66/349156666.db2.gz PAESSICXHNMCEM-HZMBPMFUSA-N 1 1 269.373 3.353 20 30 CGEDMO C[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1cscn1 ZINC000618805713 349156950 /nfs/dbraw/zinc/15/69/50/349156950.db2.gz PAESSICXHNMCEM-YGRLFVJLSA-N 1 1 269.373 3.353 20 30 CGEDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc(C#N)cc2C)CC1 ZINC000619512837 349255393 /nfs/dbraw/zinc/25/53/93/349255393.db2.gz BCCMWFITVIEXIP-KRWDZBQOSA-N 1 1 272.392 3.258 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)[C@@H](C)C1 ZINC000619655371 349267672 /nfs/dbraw/zinc/26/76/72/349267672.db2.gz BBXUFIFNPDRKBT-WMLDXEAASA-N 1 1 286.419 3.487 20 30 CGEDMO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000619720807 349278867 /nfs/dbraw/zinc/27/88/67/349278867.db2.gz XWYKAIQWTPARKD-XJKSGUPXSA-N 1 1 291.366 3.123 20 30 CGEDMO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000619720807 349278869 /nfs/dbraw/zinc/27/88/69/349278869.db2.gz XWYKAIQWTPARKD-XJKSGUPXSA-N 1 1 291.366 3.123 20 30 CGEDMO COCc1ccc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)o1 ZINC000619749047 349281555 /nfs/dbraw/zinc/28/15/55/349281555.db2.gz YLAMWUKYLCWKAY-UHFFFAOYSA-N 1 1 290.750 3.241 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000620306384 349354141 /nfs/dbraw/zinc/35/41/41/349354141.db2.gz DVFZBFWYXOXDGV-BBWFWOEESA-N 1 1 288.435 3.103 20 30 CGEDMO C=CC[C@H]1[N@H+](CCOC2CCOCC2)CCCC1(C)C ZINC000625375678 350164997 /nfs/dbraw/zinc/16/49/97/350164997.db2.gz XFUBLCAHBVYENG-MRXNPFEDSA-N 1 1 281.440 3.249 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000625700565 350198237 /nfs/dbraw/zinc/19/82/37/350198237.db2.gz KLQLVTLDAAHOJP-OAHLLOKOSA-N 1 1 257.377 3.062 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CCOc2ccccc2C(C)=O)C1 ZINC000625701133 350198405 /nfs/dbraw/zinc/19/84/05/350198405.db2.gz NLMUSOYTBQDTJE-OAHLLOKOSA-N 1 1 273.376 3.166 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccn(-c3cccc(F)c3)n2)C1 ZINC000625699851 350198646 /nfs/dbraw/zinc/19/86/46/350198646.db2.gz DBBNBTLTQODNSL-AWEZNQCLSA-N 1 1 285.366 3.409 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000625701284 350198949 /nfs/dbraw/zinc/19/89/49/350198949.db2.gz IHIZFWVVLQTKMB-IRXDYDNUSA-N 1 1 298.430 3.047 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](CCc2nc(-c3ccccc3)no2)C1 ZINC000625702512 350199928 /nfs/dbraw/zinc/19/99/28/350199928.db2.gz YZRHTZVGXBCELA-AWEZNQCLSA-N 1 1 283.375 3.177 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cn3c(cccc3C)n2)C1 ZINC000625704022 350201110 /nfs/dbraw/zinc/20/11/10/350201110.db2.gz RCSNTUBALKFAHK-CQSZACIVSA-N 1 1 255.365 3.041 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)Cc1nc(C)c(C)[nH]1 ZINC000628154729 350413846 /nfs/dbraw/zinc/41/38/46/350413846.db2.gz FQKBAIVQODHPOS-UHFFFAOYSA-N 1 1 269.392 3.257 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1nc(C)c(C)[nH]1 ZINC000628154729 350413850 /nfs/dbraw/zinc/41/38/50/350413850.db2.gz FQKBAIVQODHPOS-UHFFFAOYSA-N 1 1 269.392 3.257 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000628405102 350529006 /nfs/dbraw/zinc/52/90/06/350529006.db2.gz CXLJWSNMDIYNLE-CABCVRRESA-N 1 1 257.377 3.451 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2ccnn2-c2ccccc2)C1 ZINC000628406288 350529725 /nfs/dbraw/zinc/52/97/25/350529725.db2.gz GPLYKFUKTCMSFD-HNNXBMFYSA-N 1 1 267.376 3.270 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000628405777 350529790 /nfs/dbraw/zinc/52/97/90/350529790.db2.gz UEBODOORVRIWAV-AWEZNQCLSA-N 1 1 267.376 3.475 20 30 CGEDMO C=CC[NH+]1CCC(N[C@@H](CCC)c2cc(C)ccn2)CC1 ZINC000631579068 351075202 /nfs/dbraw/zinc/07/52/02/351075202.db2.gz BUXWLPPUJVZJLN-KRWDZBQOSA-N 1 1 287.451 3.471 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)CC2CC2)cc1OC ZINC000122923109 187060069 /nfs/dbraw/zinc/06/00/69/187060069.db2.gz PGQFLBDHIANRJP-UHFFFAOYSA-N 1 1 261.365 3.102 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CCCC2(CCOCC2)C1 ZINC000336483927 213354960 /nfs/dbraw/zinc/35/49/60/213354960.db2.gz MUXPIHNKYCRVEN-UHFFFAOYSA-N 1 1 288.366 3.090 20 30 CGEDMO C=C(C)COc1cc(C[N@@H+](C)C2CC2)ccc1OC ZINC000153799737 188104119 /nfs/dbraw/zinc/10/41/19/188104119.db2.gz ATKZXWNGVWMJGB-UHFFFAOYSA-N 1 1 261.365 3.244 20 30 CGEDMO C[C@H](CC#N)[N@H+](C)CCc1cccc(OC(F)(F)F)c1 ZINC000156918515 188287955 /nfs/dbraw/zinc/28/79/55/188287955.db2.gz NFPYOGPERLAOHJ-LLVKDONJSA-N 1 1 286.297 3.362 20 30 CGEDMO C[C@H](CC#N)[N@@H+](C)CCc1cccc(OC(F)(F)F)c1 ZINC000156918515 188287956 /nfs/dbraw/zinc/28/79/56/188287956.db2.gz NFPYOGPERLAOHJ-LLVKDONJSA-N 1 1 286.297 3.362 20 30 CGEDMO N#C[C@H]1CC[C@H]([N@H+]2Cc3ccccc3C3(CC3)C2)C1 ZINC000336573655 283067426 /nfs/dbraw/zinc/06/74/26/283067426.db2.gz VCKBYBNXNXQKGP-ZFWWWQNUSA-N 1 1 252.361 3.226 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 ZINC000253092942 283139284 /nfs/dbraw/zinc/13/92/84/283139284.db2.gz LRMMURZPAZDFDL-KURKYZTESA-N 1 1 284.403 3.074 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2CCSC[C@@H]2C2CC2)c1 ZINC000451643852 283151173 /nfs/dbraw/zinc/15/11/73/283151173.db2.gz ADGOQFFSYHICRM-OAHLLOKOSA-N 1 1 276.380 3.025 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCSC[C@@H]2C2CC2)c1 ZINC000451643852 283151175 /nfs/dbraw/zinc/15/11/75/283151175.db2.gz ADGOQFFSYHICRM-OAHLLOKOSA-N 1 1 276.380 3.025 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000459338438 283211469 /nfs/dbraw/zinc/21/14/69/283211469.db2.gz KKQPJTSMAVCTGE-IUODEOHRSA-N 1 1 285.347 3.231 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000459338438 283211472 /nfs/dbraw/zinc/21/14/72/283211472.db2.gz KKQPJTSMAVCTGE-IUODEOHRSA-N 1 1 285.347 3.231 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+](CC1CC1)C1CCC1 ZINC000459440174 283212076 /nfs/dbraw/zinc/21/20/76/283212076.db2.gz JPTZIIHNZIHJGF-UHFFFAOYSA-N 1 1 285.347 3.231 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+](CC1CC1)C1CCC1 ZINC000459440174 283212079 /nfs/dbraw/zinc/21/20/79/283212079.db2.gz JPTZIIHNZIHJGF-UHFFFAOYSA-N 1 1 285.347 3.231 20 30 CGEDMO C[C@H]1CC[C@H](C)[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000088704474 138342921 /nfs/dbraw/zinc/34/29/21/138342921.db2.gz KJKBBMCCDUXLMY-KBPBESRZSA-N 1 1 258.365 3.057 20 30 CGEDMO CCCO[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)CC1 ZINC000108395839 138360025 /nfs/dbraw/zinc/36/00/25/138360025.db2.gz UFLPQUFLBTZOFN-QGZVFWFLSA-N 1 1 290.382 3.478 20 30 CGEDMO CCCO[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)CC1 ZINC000108395839 138360026 /nfs/dbraw/zinc/36/00/26/138360026.db2.gz UFLPQUFLBTZOFN-QGZVFWFLSA-N 1 1 290.382 3.478 20 30 CGEDMO N#Cc1cc(Cl)ccc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000112750239 138365083 /nfs/dbraw/zinc/36/50/83/138365083.db2.gz ZRUVQBCHGIGTFJ-ZIAGYGMSSA-N 1 1 275.783 3.250 20 30 CGEDMO CC[C@H]1CC[C@H](C)[N@H+]1CCOc1cccc(C#N)c1 ZINC000124584785 138376485 /nfs/dbraw/zinc/37/64/85/138376485.db2.gz OAGSARKCTAQQNB-ZFWWWQNUSA-N 1 1 258.365 3.200 20 30 CGEDMO C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)CC12CCC2 ZINC000329147018 202205493 /nfs/dbraw/zinc/20/54/93/202205493.db2.gz ORKUBYHRCDMTAI-AWEZNQCLSA-N 1 1 297.402 3.009 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)CC1(C)C ZINC000336295608 213137050 /nfs/dbraw/zinc/13/70/50/213137050.db2.gz XOAZGHSOBBUSBC-OAHLLOKOSA-N 1 1 292.810 3.459 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)c1 ZINC000335424604 283246830 /nfs/dbraw/zinc/24/68/30/283246830.db2.gz NWAHKQWUJQOILJ-DZGCQCFKSA-N 1 1 276.405 3.011 20 30 CGEDMO CCn1nccc1CC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425534208 236257924 /nfs/dbraw/zinc/25/79/24/236257924.db2.gz LREINNFDVPRHNB-CQSZACIVSA-N 1 1 282.391 3.010 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000429047256 236462737 /nfs/dbraw/zinc/46/27/37/236462737.db2.gz YLMWSCPWKMEUIT-YKTARERQSA-N 1 1 297.446 3.281 20 30 CGEDMO CC1(C)C[C@@H](O)CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000336235579 213065814 /nfs/dbraw/zinc/06/58/14/213065814.db2.gz HXLDDJJRMHDAAP-AWEZNQCLSA-N 1 1 292.810 3.195 20 30 CGEDMO CCc1ccc([C@@H](C)[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000352853224 219687856 /nfs/dbraw/zinc/68/78/56/219687856.db2.gz MCLZOEPTQMLRKF-LLVKDONJSA-N 1 1 271.389 3.428 20 30 CGEDMO C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H]1CCc2ccccc21 ZINC000177992362 189084460 /nfs/dbraw/zinc/08/44/60/189084460.db2.gz AMMQCWSGCFIIBH-MOPGFXCFSA-N 1 1 292.382 3.211 20 30 CGEDMO CN(C)c1cccc(C[N@H+](C)Cc2ccc(C#N)cc2F)c1 ZINC000178823440 189148308 /nfs/dbraw/zinc/14/83/08/189148308.db2.gz GCVGBJKHWHFNTR-UHFFFAOYSA-N 1 1 297.377 3.395 20 30 CGEDMO CN(C)c1cccc(C[N@@H+](C)Cc2ccc(C#N)cc2F)c1 ZINC000178823440 189148309 /nfs/dbraw/zinc/14/83/09/189148309.db2.gz GCVGBJKHWHFNTR-UHFFFAOYSA-N 1 1 297.377 3.395 20 30 CGEDMO CC[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180266664 189247629 /nfs/dbraw/zinc/24/76/29/189247629.db2.gz DUSVMEKOUTTZGX-CQSZACIVSA-N 1 1 294.402 3.191 20 30 CGEDMO COC[C@@H]([NH2+]Cc1ccc(C#N)cc1OC)c1ccccc1 ZINC000181674886 189303926 /nfs/dbraw/zinc/30/39/26/189303926.db2.gz CSSZOJNDRISUPW-QGZVFWFLSA-N 1 1 296.370 3.044 20 30 CGEDMO CC(=O)c1ccc(C#N)cc1N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000302103715 201342792 /nfs/dbraw/zinc/34/27/92/201342792.db2.gz MJTDXCFEPWIPMW-INIZCTEOSA-N 1 1 299.418 3.071 20 30 CGEDMO CCn1cc(C[N@@H+](CC)[C@H](C)c2ccc(C#N)cc2)cn1 ZINC000119855189 370716526 /nfs/dbraw/zinc/71/65/26/370716526.db2.gz KUYKKYHXLDPOAZ-CQSZACIVSA-N 1 1 282.391 3.358 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000120523941 370777423 /nfs/dbraw/zinc/77/74/23/370777423.db2.gz IOYWKVOTAPJRAM-UHFFFAOYSA-N 1 1 291.354 3.071 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000120523941 370777427 /nfs/dbraw/zinc/77/74/27/370777427.db2.gz IOYWKVOTAPJRAM-UHFFFAOYSA-N 1 1 291.354 3.071 20 30 CGEDMO C[C@H]1Cc2[nH+]cn(Cc3ccc(F)cc3C#N)c2C[C@@H]1C ZINC000451002608 240189695 /nfs/dbraw/zinc/18/96/95/240189695.db2.gz SRUUFUBKYHZUNB-RYUDHWBXSA-N 1 1 283.350 3.313 20 30 CGEDMO C[C@@H]1Cc2c([nH+]cn2Cc2cccc(F)c2C#N)C[C@@H]1C ZINC000451005056 240189310 /nfs/dbraw/zinc/18/93/10/240189310.db2.gz WSRVSMOGUYNGRY-NWDGAFQWSA-N 1 1 283.350 3.313 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@]3(CCSC3)C2)c1F ZINC000451971809 240389232 /nfs/dbraw/zinc/38/92/32/240389232.db2.gz MDPLHGNPBAALLK-MRXNPFEDSA-N 1 1 290.407 3.416 20 30 CGEDMO CCO[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C[C@H]1C ZINC000451538347 240318725 /nfs/dbraw/zinc/31/87/25/240318725.db2.gz JBVBDVSHUNGABE-MLGOLLRUSA-N 1 1 292.810 3.459 20 30 CGEDMO CCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C[C@H]1C ZINC000451538347 240318728 /nfs/dbraw/zinc/31/87/28/240318728.db2.gz JBVBDVSHUNGABE-MLGOLLRUSA-N 1 1 292.810 3.459 20 30 CGEDMO CCO[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@@H]1C ZINC000451527376 240319038 /nfs/dbraw/zinc/31/90/38/240319038.db2.gz HIDYIVRJOSNRHF-BLLLJJGKSA-N 1 1 292.810 3.459 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@]3(CCSC3)C2)ccc1F ZINC000451982995 240391809 /nfs/dbraw/zinc/39/18/09/240391809.db2.gz UMIWBTCIEIVMAK-INIZCTEOSA-N 1 1 290.407 3.416 20 30 CGEDMO C=CC[N@@H+](C)[C@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000121448106 370861149 /nfs/dbraw/zinc/86/11/49/370861149.db2.gz LMVKNILBLGYLRU-LLVKDONJSA-N 1 1 296.798 3.102 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000121448106 370861153 /nfs/dbraw/zinc/86/11/53/370861153.db2.gz LMVKNILBLGYLRU-LLVKDONJSA-N 1 1 296.798 3.102 20 30 CGEDMO CC(C)c1nnc([C@@H](C)[NH2+][C@@H]2CCc3ccc(C#N)cc32)[nH]1 ZINC000353271092 220001730 /nfs/dbraw/zinc/00/17/30/220001730.db2.gz XYOKIFMXDMPNHJ-IAQYHMDHSA-N 1 1 295.390 3.138 20 30 CGEDMO COc1ccccc1CC[N@@H+](C)Cc1cccc(C#N)c1 ZINC000353287976 220008088 /nfs/dbraw/zinc/00/80/88/220008088.db2.gz UBMMUBGBJZSJLZ-UHFFFAOYSA-N 1 1 280.371 3.241 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC000124054667 370918471 /nfs/dbraw/zinc/91/84/71/370918471.db2.gz YLTMIYSSMAMCHW-AWEZNQCLSA-N 1 1 266.429 3.064 20 30 CGEDMO C=CCOc1ccc(C[NH+]2CCSCC2)cc1Cl ZINC000126162771 370944205 /nfs/dbraw/zinc/94/42/05/370944205.db2.gz XYSXCRKLCUHWDA-UHFFFAOYSA-N 1 1 283.824 3.454 20 30 CGEDMO C[C@@H]1CCC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000026468483 368859934 /nfs/dbraw/zinc/85/99/34/368859934.db2.gz MAQGNGTVHUTXTJ-CZUORRHYSA-N 1 1 285.391 3.007 20 30 CGEDMO CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000030142644 368901142 /nfs/dbraw/zinc/90/11/42/368901142.db2.gz WXTHGTHENNDLFZ-KBPBESRZSA-N 1 1 285.391 3.007 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000037900865 369123867 /nfs/dbraw/zinc/12/38/67/369123867.db2.gz LDLLJPKGVUPNFA-JTQLQIEISA-N 1 1 252.745 3.048 20 30 CGEDMO Cc1ccccc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000042267122 369209394 /nfs/dbraw/zinc/20/93/94/369209394.db2.gz QOPXHCGGKCBRIM-UHFFFAOYSA-N 1 1 250.345 3.499 20 30 CGEDMO C[N@@H+](C/C=C\c1ccncc1)Cc1cccc(C#N)c1 ZINC000495083136 244354412 /nfs/dbraw/zinc/35/44/12/244354412.db2.gz YDUYKQWWTNVYFA-UTCJRWHESA-N 1 1 263.344 3.098 20 30 CGEDMO CC(C)C[N@@H+](CCOc1ccc(C#N)cc1)C(C)C ZINC000047878674 369330042 /nfs/dbraw/zinc/33/00/42/369330042.db2.gz FOMJPHNVLZRVPL-UHFFFAOYSA-N 1 1 260.381 3.303 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2ccc(F)cc2F)c(F)c1 ZINC000051017493 369445983 /nfs/dbraw/zinc/44/59/83/369445983.db2.gz QTYKSKPQAFBMII-UHFFFAOYSA-N 1 1 276.261 3.265 20 30 CGEDMO CCS[C@@H](C)c1noc(C[N@H+](C)CCCCC#N)n1 ZINC000128054647 370959568 /nfs/dbraw/zinc/95/95/68/370959568.db2.gz QURVAJPNEOXXPI-NSHDSACASA-N 1 1 282.413 3.009 20 30 CGEDMO CCS[C@@H](C)c1noc(C[N@@H+](C)CCCCC#N)n1 ZINC000128054647 370959573 /nfs/dbraw/zinc/95/95/73/370959573.db2.gz QURVAJPNEOXXPI-NSHDSACASA-N 1 1 282.413 3.009 20 30 CGEDMO C=CCC[N@@H+](C)CC(=O)c1cc(C)n([C@@H](C)COC)c1C ZINC000276379333 193308006 /nfs/dbraw/zinc/30/80/06/193308006.db2.gz HWSWTERAVFWING-AWEZNQCLSA-N 1 1 292.423 3.003 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)c1cc(C)n([C@@H](C)COC)c1C ZINC000276379333 193308007 /nfs/dbraw/zinc/30/80/07/193308007.db2.gz HWSWTERAVFWING-AWEZNQCLSA-N 1 1 292.423 3.003 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)Nc1cccc(Cl)c1Cl ZINC000276505123 193359969 /nfs/dbraw/zinc/35/99/69/193359969.db2.gz WTACTMHKJHDZRQ-UHFFFAOYSA-N 1 1 287.190 3.440 20 30 CGEDMO C=CCCN(C)c1cc(C)nc([C@H](C)[N@H+](C)CCC=C)n1 ZINC000276479792 193349368 /nfs/dbraw/zinc/34/93/68/193349368.db2.gz SRYDLKPVDPOMIA-HNNXBMFYSA-N 1 1 288.439 3.366 20 30 CGEDMO C=CCCN(C)c1cc(C)nc([C@H](C)[N@@H+](C)CCC=C)n1 ZINC000276479792 193349370 /nfs/dbraw/zinc/34/93/70/193349370.db2.gz SRYDLKPVDPOMIA-HNNXBMFYSA-N 1 1 288.439 3.366 20 30 CGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCCC(C)(C)C1 ZINC000070259007 369792901 /nfs/dbraw/zinc/79/29/01/369792901.db2.gz OCZXBHHHKBNQRC-CYBMUJFWSA-N 1 1 285.391 3.007 20 30 CGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCC(C)(C)C1 ZINC000070259007 369792906 /nfs/dbraw/zinc/79/29/06/369792906.db2.gz OCZXBHHHKBNQRC-CYBMUJFWSA-N 1 1 285.391 3.007 20 30 CGEDMO CCS[C@H]1CCCC[N@@H+](CCCSCC#N)C1 ZINC000074990745 369894008 /nfs/dbraw/zinc/89/40/08/369894008.db2.gz YZMDQBUWHMZLLD-ZDUSSCGKSA-N 1 1 272.483 3.241 20 30 CGEDMO C[N@@H+](CCc1cccs1)Cc1ccccc1C#N ZINC000075966023 369923935 /nfs/dbraw/zinc/92/39/35/369923935.db2.gz TXDYMJLZGQRUIM-UHFFFAOYSA-N 1 1 256.374 3.294 20 30 CGEDMO Cc1csc(CO[NH+]=C(N)CCCc2ccccc2)n1 ZINC000088519958 370035023 /nfs/dbraw/zinc/03/50/23/370035023.db2.gz RQCPDOFHDPMUGN-UHFFFAOYSA-N 1 1 289.404 3.263 20 30 CGEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1CCCC#N ZINC000102400467 370304297 /nfs/dbraw/zinc/30/42/97/370304297.db2.gz XVDYTNAVIUOEKY-ZIAGYGMSSA-N 1 1 295.427 3.058 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1cc(OC)ccn1 ZINC000106933822 370353757 /nfs/dbraw/zinc/35/37/57/370353757.db2.gz SYOOJHAZWLCTAH-UHFFFAOYSA-N 1 1 282.387 3.321 20 30 CGEDMO C[N@@H+](CCCOc1cccc(C#N)c1)CC1CCCC1 ZINC000110836813 370389336 /nfs/dbraw/zinc/38/93/36/370389336.db2.gz AJKHZHCBIGXGTO-UHFFFAOYSA-N 1 1 272.392 3.449 20 30 CGEDMO C=CC[N@@H+](Cc1nnc(C)n1C1CC1)CC1CCCCC1 ZINC000112202249 370413971 /nfs/dbraw/zinc/41/39/71/370413971.db2.gz BRLKWGMBHGYSCR-UHFFFAOYSA-N 1 1 288.439 3.490 20 30 CGEDMO C=CC[N@H+](Cc1nnc(C)n1C1CC1)CC1CCCCC1 ZINC000112202249 370413974 /nfs/dbraw/zinc/41/39/74/370413974.db2.gz BRLKWGMBHGYSCR-UHFFFAOYSA-N 1 1 288.439 3.490 20 30 CGEDMO CC(C)[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000117347673 370587684 /nfs/dbraw/zinc/58/76/84/370587684.db2.gz UQVUYOSVFGYJSO-INIZCTEOSA-N 1 1 285.391 3.007 20 30 CGEDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000130349610 371027281 /nfs/dbraw/zinc/02/72/81/371027281.db2.gz NCHLIRLAWQUZHS-IRXDYDNUSA-N 1 1 291.822 3.317 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H](C)[C@H]1C ZINC000130453271 371035112 /nfs/dbraw/zinc/03/51/12/371035112.db2.gz HZZGQQGAAFHHTR-QWHCGFSZSA-N 1 1 258.365 3.187 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000132109323 371151451 /nfs/dbraw/zinc/15/14/51/371151451.db2.gz CVWMXFJQVNCCKP-HOTGVXAUSA-N 1 1 291.460 3.428 20 30 CGEDMO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000132551252 371183137 /nfs/dbraw/zinc/18/31/37/371183137.db2.gz ZVDDTRIYDGYBIJ-HOTGVXAUSA-N 1 1 285.366 3.134 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000331826859 204209415 /nfs/dbraw/zinc/20/94/15/204209415.db2.gz NDYWRGCFTXGXGA-OAHLLOKOSA-N 1 1 297.358 3.200 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000331826859 204209417 /nfs/dbraw/zinc/20/94/17/204209417.db2.gz NDYWRGCFTXGXGA-OAHLLOKOSA-N 1 1 297.358 3.200 20 30 CGEDMO C=CC[N@H+](CCOc1ccccc1Cl)C1CC1 ZINC000537852471 376204607 /nfs/dbraw/zinc/20/46/07/376204607.db2.gz BTARILWIMZGYBC-UHFFFAOYSA-N 1 1 251.757 3.369 20 30 CGEDMO N#CCCCC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134792537 371366228 /nfs/dbraw/zinc/36/62/28/371366228.db2.gz QFLRYCBOMRYIFC-IRXDYDNUSA-N 1 1 290.382 3.407 20 30 CGEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@@H](CO)C(C)(C)C ZINC000134417372 371334058 /nfs/dbraw/zinc/33/40/58/371334058.db2.gz ZRMSERAWFGMRFV-INIZCTEOSA-N 1 1 288.435 3.327 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@H](C)c2cccc(O)c2)cc1C#N ZINC000135188543 371400025 /nfs/dbraw/zinc/40/00/25/371400025.db2.gz NGVPXGXJNCXIFA-CYBMUJFWSA-N 1 1 296.370 3.465 20 30 CGEDMO C[N@@H+](CCOc1ccccc1C#N)C1CCC(F)(F)CC1 ZINC000287029225 371591059 /nfs/dbraw/zinc/59/10/59/371591059.db2.gz SAAHLIVBTARKLK-UHFFFAOYSA-N 1 1 294.345 3.447 20 30 CGEDMO CSCC[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000152328520 371690148 /nfs/dbraw/zinc/69/01/48/371690148.db2.gz DBLJMIVTGAHQDZ-UHFFFAOYSA-N 1 1 287.350 3.352 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000289328454 371755242 /nfs/dbraw/zinc/75/52/42/371755242.db2.gz UPCYOMSTGMJBFO-ZWKOTPCHSA-N 1 1 295.382 3.349 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)Cc2ccc3occc3c2)n1 ZINC000289562197 371761547 /nfs/dbraw/zinc/76/15/47/371761547.db2.gz GYBBFRRPQGNTMB-UHFFFAOYSA-N 1 1 293.370 3.285 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)Cc2ccc3occc3c2)n1 ZINC000289562197 371761555 /nfs/dbraw/zinc/76/15/55/371761555.db2.gz GYBBFRRPQGNTMB-UHFFFAOYSA-N 1 1 293.370 3.285 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(Br)cc1OC ZINC000154779964 371879277 /nfs/dbraw/zinc/87/92/77/371879277.db2.gz SQXOOQVKAGHMGH-UHFFFAOYSA-N 1 1 270.170 3.076 20 30 CGEDMO CC#CCC[N@@H+]1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000155029226 371899190 /nfs/dbraw/zinc/89/91/90/371899190.db2.gz RRYBDWZYDIGLTA-MRXNPFEDSA-N 1 1 273.376 3.254 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC000155133536 371908381 /nfs/dbraw/zinc/90/83/81/371908381.db2.gz RYSOCIQGIVFPKI-LBPRGKRZSA-N 1 1 264.344 3.051 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)o1)C1CCC(F)(F)CC1 ZINC000290189107 371928484 /nfs/dbraw/zinc/92/84/84/371928484.db2.gz OLJIKEGWTKESIB-UHFFFAOYSA-N 1 1 254.280 3.161 20 30 CGEDMO C[N@H+](Cc1ccccc1C(C)(C)C#N)CC1CCOCC1 ZINC000155918742 371953080 /nfs/dbraw/zinc/95/30/80/371953080.db2.gz ROUGDEGXEWPWAN-UHFFFAOYSA-N 1 1 286.419 3.346 20 30 CGEDMO CC#CCC[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000155982153 371956805 /nfs/dbraw/zinc/95/68/05/371956805.db2.gz PXKSFACLCZSYBR-GOSISDBHSA-N 1 1 271.404 3.124 20 30 CGEDMO C[C@@H]([NH2+][C@H](CN)C1CCCCC1)c1cccc(C#N)c1 ZINC000423269259 372046267 /nfs/dbraw/zinc/04/62/67/372046267.db2.gz VVHJJVSCDXUHNF-CXAGYDPISA-N 1 1 271.408 3.116 20 30 CGEDMO C[C@@H](C1CC1)[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000158085237 372051338 /nfs/dbraw/zinc/05/13/38/372051338.db2.gz DTJYZJMDJRCQOA-AWEZNQCLSA-N 1 1 271.408 3.267 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2cccnc2C#N)C1 ZINC000290522298 372009070 /nfs/dbraw/zinc/00/90/70/372009070.db2.gz GMSKWKUZXXKZRF-CVEARBPZSA-N 1 1 298.434 3.044 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)s1 ZINC000290894330 372071746 /nfs/dbraw/zinc/07/17/46/372071746.db2.gz LQVOYOKOGXABLF-CABCVRRESA-N 1 1 288.416 3.153 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)s1 ZINC000290894330 372071751 /nfs/dbraw/zinc/07/17/51/372071751.db2.gz LQVOYOKOGXABLF-CABCVRRESA-N 1 1 288.416 3.153 20 30 CGEDMO C[C@H]1CC[N@@H+](CCCC(C)(C)C#N)C[C@@H]1n1ccnc1 ZINC000159008501 372099233 /nfs/dbraw/zinc/09/92/33/372099233.db2.gz XZBFRKTXTFMZKG-GJZGRUSLSA-N 1 1 274.412 3.096 20 30 CGEDMO CC[N@H+](CC#Cc1ccc(F)cc1)CCc1nccs1 ZINC000159443108 372144351 /nfs/dbraw/zinc/14/43/51/372144351.db2.gz HCRPSKUVBJWLEA-UHFFFAOYSA-N 1 1 288.391 3.198 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000159489493 372149490 /nfs/dbraw/zinc/14/94/90/372149490.db2.gz OPEYHUQTXMWQRX-IBGZPJMESA-N 1 1 298.430 3.490 20 30 CGEDMO C[C@H]1CCC[N@H+](CCC(C)(C)C#N)[C@@H]1C(=O)OC(C)(C)C ZINC000425509075 372129753 /nfs/dbraw/zinc/12/97/53/372129753.db2.gz IAIZZQJPPSDVGL-KBPBESRZSA-N 1 1 294.439 3.368 20 30 CGEDMO C[C@H]1CCC[N@@H+](CCC(C)(C)C#N)[C@@H]1C(=O)OC(C)(C)C ZINC000425509075 372129754 /nfs/dbraw/zinc/12/97/54/372129754.db2.gz IAIZZQJPPSDVGL-KBPBESRZSA-N 1 1 294.439 3.368 20 30 CGEDMO CCCc1nc(C)c(C[NH+]2CCC(C)(C#N)CC2)o1 ZINC000428344207 372184797 /nfs/dbraw/zinc/18/47/97/372184797.db2.gz GCMCUCKDGRVKAF-UHFFFAOYSA-N 1 1 261.369 3.061 20 30 CGEDMO CC[C@@]1(C)CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000344274328 217128294 /nfs/dbraw/zinc/12/82/94/217128294.db2.gz WPLQFAGEGGSMBE-KRWDZBQOSA-N 1 1 296.374 3.230 20 30 CGEDMO COCC[N@@H+](Cc1cccc(F)c1C#N)[C@H]1CC[C@H](C)C1 ZINC000428968960 372295097 /nfs/dbraw/zinc/29/50/97/372295097.db2.gz QILFCUNCAVPACO-ZFWWWQNUSA-N 1 1 290.382 3.334 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000428724828 372257027 /nfs/dbraw/zinc/25/70/27/372257027.db2.gz XKIRTZKUCDSGKG-WCQYABFASA-N 1 1 256.340 3.293 20 30 CGEDMO CC1CCC(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000428813433 372265890 /nfs/dbraw/zinc/26/58/90/372265890.db2.gz DCMVHHCOBIGIHL-VMBOVVBDSA-N 1 1 299.418 3.233 20 30 CGEDMO COCC(C)(C)[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000429232390 372326166 /nfs/dbraw/zinc/32/61/66/372326166.db2.gz KCXWETVBVVWQAG-UHFFFAOYSA-N 1 1 299.336 3.414 20 30 CGEDMO CCc1nocc1C[N@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000293278709 372342894 /nfs/dbraw/zinc/34/28/94/372342894.db2.gz CJYRIBJLICHMGV-LBPRGKRZSA-N 1 1 269.348 3.302 20 30 CGEDMO CCc1nocc1C[N@@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000293278709 372342896 /nfs/dbraw/zinc/34/28/96/372342896.db2.gz CJYRIBJLICHMGV-LBPRGKRZSA-N 1 1 269.348 3.302 20 30 CGEDMO Cc1cccc2c1C[N@@H+](CC#Cc1ccccc1)CC2 ZINC000429564334 372372996 /nfs/dbraw/zinc/37/29/96/372372996.db2.gz FHBXPRXBTGLMAM-UHFFFAOYSA-N 1 1 261.368 3.405 20 30 CGEDMO C=CCC(C)(C)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000429802723 372378907 /nfs/dbraw/zinc/37/89/07/372378907.db2.gz AWYUYAUHMNVFQJ-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)C(C)(C)COC)cc1 ZINC000430114767 372384616 /nfs/dbraw/zinc/38/46/16/372384616.db2.gz TVQZOTHOOTZMJS-UHFFFAOYSA-N 1 1 263.381 3.108 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccnn1-c1ccccc1OC ZINC000430749196 372393712 /nfs/dbraw/zinc/39/37/12/372393712.db2.gz IGHUNUPOZBRCLB-UHFFFAOYSA-N 1 1 285.391 3.279 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@@H](c2ccccc2)C2(CO)CCC2)o1 ZINC000294043438 372564591 /nfs/dbraw/zinc/56/45/91/372564591.db2.gz WKVMBKQZSPLGNM-KRWDZBQOSA-N 1 1 296.370 3.145 20 30 CGEDMO Cc1ccnc(C[NH2+][C@H](CCCC#N)c2ccccc2)n1 ZINC000433024666 372578205 /nfs/dbraw/zinc/57/82/05/372578205.db2.gz YKNIESCJTMEYPU-MRXNPFEDSA-N 1 1 280.375 3.310 20 30 CGEDMO CC(C)n1ncnc1C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433016544 372578613 /nfs/dbraw/zinc/57/86/13/372578613.db2.gz RRFCYJYUHPGJPE-MRXNPFEDSA-N 1 1 297.406 3.384 20 30 CGEDMO COc1ccccc1CCC[N@@H+](C)CC(C)(C)C#N ZINC000433311837 372587861 /nfs/dbraw/zinc/58/78/61/372587861.db2.gz OAZNQFNFECDWPT-UHFFFAOYSA-N 1 1 260.381 3.109 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000294506764 372658561 /nfs/dbraw/zinc/65/85/61/372658561.db2.gz XOUDOCXNKFMGIS-CQSZACIVSA-N 1 1 294.826 3.271 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@](C)(COC)C2)c1 ZINC000295170195 372695699 /nfs/dbraw/zinc/69/56/99/372695699.db2.gz UDOBGWANUPGAAU-KRWDZBQOSA-N 1 1 275.392 3.110 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1cccnc1 ZINC000171146431 372721194 /nfs/dbraw/zinc/72/11/94/372721194.db2.gz HKFZGLPJHOCNOO-CYBMUJFWSA-N 1 1 251.333 3.146 20 30 CGEDMO N#Cc1cc(Cl)ccc1Cn1c[nH+]c2c1CCCC2 ZINC000295270603 372722943 /nfs/dbraw/zinc/72/29/43/372722943.db2.gz JOSARSXRNQQXPK-UHFFFAOYSA-N 1 1 271.751 3.335 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@H]2C)cc1 ZINC000438371419 372943630 /nfs/dbraw/zinc/94/36/30/372943630.db2.gz FWGJMDGSJAAMKF-RRFJBIMHSA-N 1 1 275.392 3.249 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000439664451 372980982 /nfs/dbraw/zinc/98/09/82/372980982.db2.gz GENCBVZSGHTOHD-HLLBOEOZSA-N 1 1 299.418 3.020 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)CC2(N(C)C)CCC2)cc1 ZINC000438481899 372962229 /nfs/dbraw/zinc/96/22/29/372962229.db2.gz JOOBWWOQASZBOR-UHFFFAOYSA-N 1 1 288.435 3.168 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)CC2(N(C)C)CCC2)cc1 ZINC000438481899 372962237 /nfs/dbraw/zinc/96/22/37/372962237.db2.gz JOOBWWOQASZBOR-UHFFFAOYSA-N 1 1 288.435 3.168 20 30 CGEDMO Cc1ccc2[nH]c(C[NH2+]Cc3cccc(C#N)c3)nc2c1 ZINC000344740926 217295798 /nfs/dbraw/zinc/29/57/98/217295798.db2.gz MTWQRSLSRSTIGL-UHFFFAOYSA-N 1 1 276.343 3.033 20 30 CGEDMO Cc1ccc2nc(C[NH2+]Cc3cccc(C#N)c3)[nH]c2c1 ZINC000344740926 217295799 /nfs/dbraw/zinc/29/57/99/217295799.db2.gz MTWQRSLSRSTIGL-UHFFFAOYSA-N 1 1 276.343 3.033 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000296080259 373016379 /nfs/dbraw/zinc/01/63/79/373016379.db2.gz PFXKSPSWXIZGMY-XJKSGUPXSA-N 1 1 272.392 3.102 20 30 CGEDMO N#C[C@@H]1CC[C@@H](N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000442657874 373061964 /nfs/dbraw/zinc/06/19/64/373061964.db2.gz WBARFZYCHDBRJU-NXHRZFHOSA-N 1 1 283.419 3.105 20 30 CGEDMO Cc1cc(C[NH2+][C@H](C)CN2C[C@@H](C)C[C@H](C)C2)ccc1C#N ZINC000443975218 373163281 /nfs/dbraw/zinc/16/32/81/373163281.db2.gz YVWPVXCUBMBWLH-YQQAZPJKSA-N 1 1 299.462 3.323 20 30 CGEDMO C[N@@H+](CCc1ccc2c(c1)CCO2)Cc1ccc(C#N)cc1 ZINC000173471809 373144977 /nfs/dbraw/zinc/14/49/77/373144977.db2.gz ROQVVPNSGXOMAF-UHFFFAOYSA-N 1 1 292.382 3.168 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2nccc(C)n2)CCCC1(C)C ZINC000444778639 373271946 /nfs/dbraw/zinc/27/19/46/373271946.db2.gz JKDBLIRPQQJICA-AWEZNQCLSA-N 1 1 259.397 3.352 20 30 CGEDMO CC[C@@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000444675372 373230435 /nfs/dbraw/zinc/23/04/35/373230435.db2.gz LWCWAZIDZLMINP-WBVHZDCISA-N 1 1 299.418 3.397 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444695063 373240602 /nfs/dbraw/zinc/24/06/02/373240602.db2.gz LIPVRVOWJHLTSB-LBPRGKRZSA-N 1 1 298.308 3.341 20 30 CGEDMO Cc1cc(Br)ccc1C[N@@H+](C)CC1(C#N)CC1 ZINC000444711881 373248430 /nfs/dbraw/zinc/24/84/30/373248430.db2.gz XTUBXNRDHNOYFQ-UHFFFAOYSA-N 1 1 293.208 3.493 20 30 CGEDMO Cc1cc(Br)ccc1C[N@H+](C)CC1(C#N)CC1 ZINC000444711881 373248439 /nfs/dbraw/zinc/24/84/39/373248439.db2.gz XTUBXNRDHNOYFQ-UHFFFAOYSA-N 1 1 293.208 3.493 20 30 CGEDMO CC(C)[N@@H+](CCOc1ccc(C#N)cc1)CC1CCC1 ZINC000444770287 373267579 /nfs/dbraw/zinc/26/75/79/373267579.db2.gz DOEWUHTZOCHEHR-UHFFFAOYSA-N 1 1 272.392 3.448 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@@H]2CCCOc3ccccc32)o1 ZINC000174327800 373292334 /nfs/dbraw/zinc/29/23/34/373292334.db2.gz UKOQQMXBJORDLG-OAHLLOKOSA-N 1 1 268.316 3.155 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2cccc(OC(F)F)c2)o1 ZINC000174355206 373299779 /nfs/dbraw/zinc/29/97/79/373299779.db2.gz GVCIHLVILIBTCB-UHFFFAOYSA-N 1 1 278.258 3.042 20 30 CGEDMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCCCC#N ZINC000175386203 373461281 /nfs/dbraw/zinc/46/12/81/373461281.db2.gz QWONJPZWFCZLOQ-ORAYPTAESA-N 1 1 278.421 3.111 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)[C@H](C)c1ccccn1 ZINC000299167010 373476909 /nfs/dbraw/zinc/47/69/09/373476909.db2.gz XVYYKQAFOFRSLY-CQSZACIVSA-N 1 1 256.349 3.466 20 30 CGEDMO C[C@@H](C1CCCCC1)[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000447399855 373433128 /nfs/dbraw/zinc/43/31/28/373433128.db2.gz XTWNLYCPCADCCW-AWEZNQCLSA-N 1 1 299.418 3.397 20 30 CGEDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000447843920 373506783 /nfs/dbraw/zinc/50/67/83/373506783.db2.gz OLKFUYVQHMTOMA-RHSMWYFYSA-N 1 1 291.822 3.317 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)N(CC)C1CCCCC1 ZINC000447976894 373533649 /nfs/dbraw/zinc/53/36/49/373533649.db2.gz MDAGCQFSMMFMAR-OAHLLOKOSA-N 1 1 280.456 3.454 20 30 CGEDMO Cc1cnc(C(C)(C)[NH2+]Cc2ccc(C#N)s2)s1 ZINC000175982016 373545916 /nfs/dbraw/zinc/54/59/16/373545916.db2.gz WKVKWJXMNLJVAX-UHFFFAOYSA-N 1 1 277.418 3.410 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000300257955 373622282 /nfs/dbraw/zinc/62/22/82/373622282.db2.gz RFJFSDWBPOXJRQ-OAGGEKHMSA-N 1 1 251.414 3.358 20 30 CGEDMO C=C1CC[NH+](Cc2cnn(-c3ccc(OC)cc3)c2)CC1 ZINC000449023201 373656423 /nfs/dbraw/zinc/65/64/23/373656423.db2.gz OLMCEWXAWWCYST-UHFFFAOYSA-N 1 1 283.375 3.033 20 30 CGEDMO C=CCC1(C(=O)NC[C@H](c2ccco2)[NH+](C)C)CCCC1 ZINC000449064318 373659456 /nfs/dbraw/zinc/65/94/56/373659456.db2.gz PKQIWFKQRJOHPF-CQSZACIVSA-N 1 1 290.407 3.135 20 30 CGEDMO N#Cc1cc(F)ccc1NCC[N@H+]1CCc2ccccc2C1 ZINC000301354338 373756135 /nfs/dbraw/zinc/75/61/35/373756135.db2.gz JYYVMQALIWUDCJ-UHFFFAOYSA-N 1 1 295.361 3.168 20 30 CGEDMO C=CCC[C@H](CCC)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000449560212 373832397 /nfs/dbraw/zinc/83/23/97/373832397.db2.gz HRHCHZCKAYFKBW-HNSVSWJLSA-N 1 1 250.430 3.336 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@H](COC)CC2)c1 ZINC000449779906 373908464 /nfs/dbraw/zinc/90/84/64/373908464.db2.gz VALHCHHSTHOABS-INIZCTEOSA-N 1 1 289.419 3.500 20 30 CGEDMO CC[N@@H+](C[C@@H](C)C#N)C[C@@H](C)c1ccc(OC)cc1 ZINC000179772775 373915105 /nfs/dbraw/zinc/91/51/05/373915105.db2.gz RBAYSMMNJSONQP-UONOGXRCSA-N 1 1 260.381 3.280 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000179785565 373917042 /nfs/dbraw/zinc/91/70/42/373917042.db2.gz DKPDSYIDUQXUJA-HOCLYGCPSA-N 1 1 274.408 3.150 20 30 CGEDMO C[C@H]([NH2+][C@@H](CO)c1ccccc1)c1ccc(C#N)cc1F ZINC000305801776 374113092 /nfs/dbraw/zinc/11/30/92/374113092.db2.gz DOOGGMHRBYCOLV-SJCJKPOMSA-N 1 1 284.334 3.082 20 30 CGEDMO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1ccc(C#N)cc1F ZINC000305825578 374116622 /nfs/dbraw/zinc/11/66/22/374116622.db2.gz QWCGMUCRPOWJFC-FJNPEDAXSA-N 1 1 296.345 3.006 20 30 CGEDMO CC[C@H](CN[C@@H](C)c1ccc(C#N)cc1)[NH+]1CCCC1 ZINC000181477064 374127972 /nfs/dbraw/zinc/12/79/72/374127972.db2.gz FPARMYCCRAEMLG-WMLDXEAASA-N 1 1 271.408 3.083 20 30 CGEDMO CCS[C@H]1CC[C@H]([N@@H+](C)CC2(C#N)CCC2)C1 ZINC000450457833 374143673 /nfs/dbraw/zinc/14/36/73/374143673.db2.gz SLISRUJUWFFWAV-STQMWFEESA-N 1 1 252.427 3.286 20 30 CGEDMO COC[C@H]([NH2+]Cc1cc(C#N)ccc1OC)c1ccccc1 ZINC000181659370 374151545 /nfs/dbraw/zinc/15/15/45/374151545.db2.gz NTJJBFRKNUTULP-KRWDZBQOSA-N 1 1 296.370 3.044 20 30 CGEDMO C=CCC1(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)CCCCC1 ZINC000450771940 374178013 /nfs/dbraw/zinc/17/80/13/374178013.db2.gz ZKHRFZNLAQLYGU-HNNXBMFYSA-N 1 1 290.451 3.280 20 30 CGEDMO COC[C@H]1CCC[N@H+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000452101716 374236316 /nfs/dbraw/zinc/23/63/16/374236316.db2.gz KBTMBNJPKSBMMW-CABCVRRESA-N 1 1 272.392 3.368 20 30 CGEDMO CC[N@H+](C[C@@H](C)C#N)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182722142 374318695 /nfs/dbraw/zinc/31/86/95/374318695.db2.gz LTDBVPSSZZHDGI-AAEUAGOBSA-N 1 1 275.352 3.446 20 30 CGEDMO CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182722142 374318698 /nfs/dbraw/zinc/31/86/98/374318698.db2.gz LTDBVPSSZZHDGI-AAEUAGOBSA-N 1 1 275.352 3.446 20 30 CGEDMO CCCC[C@@H](C)[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000315119177 374326938 /nfs/dbraw/zinc/32/69/38/374326938.db2.gz KIXYGVAYWGDVPV-CQSZACIVSA-N 1 1 287.407 3.397 20 30 CGEDMO C[C@@H]1CN(CCC(C)(C)C#N)CC[N@@H+](Cc2ccccc2)C1 ZINC000323944042 374357092 /nfs/dbraw/zinc/35/70/92/374357092.db2.gz UXPYHDOYQUZJRC-QGZVFWFLSA-N 1 1 299.462 3.380 20 30 CGEDMO C[C@H]1CN(Cc2ccccc2)CC[N@H+](CCC(C)(C)C#N)C1 ZINC000323944042 374357094 /nfs/dbraw/zinc/35/70/94/374357094.db2.gz UXPYHDOYQUZJRC-QGZVFWFLSA-N 1 1 299.462 3.380 20 30 CGEDMO C[C@H]1CN(Cc2ccccc2)CC[N@@H+](CCC(C)(C)C#N)C1 ZINC000323944042 374357099 /nfs/dbraw/zinc/35/70/99/374357099.db2.gz UXPYHDOYQUZJRC-QGZVFWFLSA-N 1 1 299.462 3.380 20 30 CGEDMO CC[N@H+]1CCC[C@H](NC(=O)c2coc(C3CCCC3)n2)C1 ZINC000328721796 374378795 /nfs/dbraw/zinc/37/87/95/374378795.db2.gz XCVVYCQGRNFCAI-ZDUSSCGKSA-N 1 1 291.395 3.121 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@H]2C2CCOCC2)c1 ZINC000334205974 206189389 /nfs/dbraw/zinc/18/93/89/206189389.db2.gz YQHOHGJZKYQXCK-HNNXBMFYSA-N 1 1 276.405 3.011 20 30 CGEDMO CC[C@H]1[C@@H](C)CC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000185597465 374695906 /nfs/dbraw/zinc/69/59/06/374695906.db2.gz VALANRPMBSCOFF-BBRMVZONSA-N 1 1 285.391 3.007 20 30 CGEDMO N#C[C@H]1CCC[C@H](N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000185752577 374729471 /nfs/dbraw/zinc/72/94/71/374729471.db2.gz JOVBJMINIJTDKI-WDSOQIARSA-N 1 1 297.446 3.495 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000467300097 374974808 /nfs/dbraw/zinc/97/48/08/374974808.db2.gz ATMWYFLLFHMZSC-QGZVFWFLSA-N 1 1 292.398 3.147 20 30 CGEDMO C[N@@H+](CCC1CCOCC1)Cc1ccc(Cl)cc1C#N ZINC000187156798 374981033 /nfs/dbraw/zinc/98/10/33/374981033.db2.gz BHVUIGZSXDPQNV-UHFFFAOYSA-N 1 1 292.810 3.460 20 30 CGEDMO C=CCOCCC[N@@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000470778180 374998812 /nfs/dbraw/zinc/99/88/12/374998812.db2.gz CDPXTLUVALPGOO-WBVHZDCISA-N 1 1 259.393 3.457 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000470920683 375001470 /nfs/dbraw/zinc/00/14/70/375001470.db2.gz QYCCZJAAEVFIGH-HNNXBMFYSA-N 1 1 263.356 3.383 20 30 CGEDMO C=CCCCCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000471696705 375006479 /nfs/dbraw/zinc/00/64/79/375006479.db2.gz JGMIZPNXAZVHPL-KRWDZBQOSA-N 1 1 286.419 3.124 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@@H]1CCCc2cc(OC)ccc21 ZINC000472750813 375031365 /nfs/dbraw/zinc/03/13/65/375031365.db2.gz LHJAVHOOWHJNHZ-MAUKXSAKSA-N 1 1 289.419 3.332 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](CC)Cc1ccc(Cl)cc1 ZINC000472760699 375033986 /nfs/dbraw/zinc/03/39/86/375033986.db2.gz ZVVGMRXCBXCXSE-HNNXBMFYSA-N 1 1 267.800 3.489 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](CC1CCCCC1)C1CC1 ZINC000472766250 375034275 /nfs/dbraw/zinc/03/42/75/375034275.db2.gz DVAZOPSPQFJWSA-MRXNPFEDSA-N 1 1 251.414 3.358 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000187700915 375076547 /nfs/dbraw/zinc/07/65/47/375076547.db2.gz NTXRIONJEIZIGP-QAPCUYQASA-N 1 1 285.435 3.425 20 30 CGEDMO CC#CC[N@@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000477051967 375142376 /nfs/dbraw/zinc/14/23/76/375142376.db2.gz WRWMMXNWJKZARM-UHFFFAOYSA-N 1 1 251.329 3.328 20 30 CGEDMO CC#CC[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000477051967 375142384 /nfs/dbraw/zinc/14/23/84/375142384.db2.gz WRWMMXNWJKZARM-UHFFFAOYSA-N 1 1 251.329 3.328 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000483418419 375180265 /nfs/dbraw/zinc/18/02/65/375180265.db2.gz ZHSHKLKFPIRLJO-QGZVFWFLSA-N 1 1 277.383 3.382 20 30 CGEDMO C=CC[N@H+](Cc1cc(C)n(C)n1)CC1CCCCC1 ZINC000487390193 375236508 /nfs/dbraw/zinc/23/65/08/375236508.db2.gz IBRZAHWBWQRPSW-UHFFFAOYSA-N 1 1 261.413 3.297 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000484077668 375187480 /nfs/dbraw/zinc/18/74/80/375187480.db2.gz WJJVDCWXBGSKCD-NSHGMRRFSA-N 1 1 296.458 3.375 20 30 CGEDMO C=CC[N@@H+](CCOC)CCOc1ccc2ccccc2c1 ZINC000484683205 375188637 /nfs/dbraw/zinc/18/86/37/375188637.db2.gz VRVCOGGSPVTSEK-UHFFFAOYSA-N 1 1 285.387 3.353 20 30 CGEDMO C=CC[N@@H+](CCC(=O)N1CCCCC1)CC1CCCCC1 ZINC000484662551 375189252 /nfs/dbraw/zinc/18/92/52/375189252.db2.gz HVXATSQZTVGXSQ-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO CCCCC[C@@H]1CCC[N@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000486798483 375197467 /nfs/dbraw/zinc/19/74/67/375197467.db2.gz CPPFELQFEUHZQO-NVXWUHKLSA-N 1 1 293.455 3.086 20 30 CGEDMO Cc1cc(C[N@H+](C)[C@H](CO)c2ccccc2)ccc1C#N ZINC000487909421 375283278 /nfs/dbraw/zinc/28/32/78/375283278.db2.gz GFMQCOZMYZMOLA-GOSISDBHSA-N 1 1 280.371 3.032 20 30 CGEDMO COCC[N@@H+](CC#Cc1ccccc1)[C@H]1CCC[C@@H]1C ZINC000487966969 375290439 /nfs/dbraw/zinc/29/04/39/375290439.db2.gz YEVVWGIFSBQBOE-WMZOPIPTSA-N 1 1 271.404 3.175 20 30 CGEDMO C=CCCCCC[N@@H+]1CCn2c(nnc2C2CCCC2)C1 ZINC000488179062 375305123 /nfs/dbraw/zinc/30/51/23/375305123.db2.gz GOHKBMVNNMZEMZ-UHFFFAOYSA-N 1 1 288.439 3.498 20 30 CGEDMO C=CCCCCC[N@H+]1CCn2c(nnc2C2CCCC2)C1 ZINC000488179062 375305124 /nfs/dbraw/zinc/30/51/24/375305124.db2.gz GOHKBMVNNMZEMZ-UHFFFAOYSA-N 1 1 288.439 3.498 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000493948810 375484497 /nfs/dbraw/zinc/48/44/97/375484497.db2.gz LCDHJSLQGNSACI-KGLIPLIRSA-N 1 1 282.428 3.188 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000494334412 375488574 /nfs/dbraw/zinc/48/85/74/375488574.db2.gz PZVUDSBGANQXKE-CABCVRRESA-N 1 1 294.439 3.025 20 30 CGEDMO C=CC[N@@H+](C)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000494683725 375492610 /nfs/dbraw/zinc/49/26/10/375492610.db2.gz FYFWBNOKSAHCQD-ZDUSSCGKSA-N 1 1 299.201 3.217 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000494683725 375492619 /nfs/dbraw/zinc/49/26/19/375492619.db2.gz FYFWBNOKSAHCQD-ZDUSSCGKSA-N 1 1 299.201 3.217 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495587732 375499104 /nfs/dbraw/zinc/49/91/04/375499104.db2.gz IJQOAJBPULWKPY-INIZCTEOSA-N 1 1 282.428 3.189 20 30 CGEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2cc(C#N)n(C)c2)C1 ZINC000191433724 375628106 /nfs/dbraw/zinc/62/81/06/375628106.db2.gz XRIAQIJDYXEHIL-DZGCQCFKSA-N 1 1 277.437 3.003 20 30 CGEDMO CC(C)C[C@]1(CO)CCC[N@H+]1CCCC(C)(C)C#N ZINC000191648222 375648237 /nfs/dbraw/zinc/64/82/37/375648237.db2.gz MKRPRFQVIXMAGK-INIZCTEOSA-N 1 1 266.429 3.189 20 30 CGEDMO C=CCC1(C(=O)NCC[N@@H+]2CCCC[C@H]2CC)CCC1 ZINC000191779781 375662938 /nfs/dbraw/zinc/66/29/38/375662938.db2.gz QAJXRVGDTOTXAQ-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO Cn1cc(Cl)cc1C[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192069072 375693750 /nfs/dbraw/zinc/69/37/50/375693750.db2.gz PMSHCJGNFOGVDK-UHFFFAOYSA-N 1 1 291.757 3.321 20 30 CGEDMO Cn1cc(Cl)cc1C[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192069072 375693754 /nfs/dbraw/zinc/69/37/54/375693754.db2.gz PMSHCJGNFOGVDK-UHFFFAOYSA-N 1 1 291.757 3.321 20 30 CGEDMO CC[N@@H+](Cc1ccc(-n2ccnc2)cc1C)C[C@@H](C)C#N ZINC000191976409 375686557 /nfs/dbraw/zinc/68/65/57/375686557.db2.gz NYYZIGVPPVWKAE-AWEZNQCLSA-N 1 1 282.391 3.162 20 30 CGEDMO CC[N@H+](Cc1ccc(-n2ccnc2)cc1C)C[C@@H](C)C#N ZINC000191976409 375686563 /nfs/dbraw/zinc/68/65/63/375686563.db2.gz NYYZIGVPPVWKAE-AWEZNQCLSA-N 1 1 282.391 3.162 20 30 CGEDMO CC1(C#N)CCC([NH2+]C2CC(N3CCCCC3)C2)CC1 ZINC000336226233 375761751 /nfs/dbraw/zinc/76/17/51/375761751.db2.gz PSOUNSPCCBAYAL-UHFFFAOYSA-N 1 1 275.440 3.065 20 30 CGEDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000512463187 375796196 /nfs/dbraw/zinc/79/61/96/375796196.db2.gz OZPNVIZYENDREM-QAPCUYQASA-N 1 1 289.394 3.193 20 30 CGEDMO C=C(C)CC[N@@H+](C[C@@H](O)COc1ccccc1)C(C)C ZINC000510808211 375788376 /nfs/dbraw/zinc/78/83/76/375788376.db2.gz FONAXECTTSCBJZ-MRXNPFEDSA-N 1 1 277.408 3.103 20 30 CGEDMO COC[C@@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(Cl)cc1 ZINC000193277226 375851574 /nfs/dbraw/zinc/85/15/74/375851574.db2.gz HTBLGVPFMPGZQL-OAHLLOKOSA-N 1 1 290.750 3.282 20 30 CGEDMO C=CCCCCC[N@H+]1CCOC[C@@H]1c1cccn1C ZINC000193556821 375894623 /nfs/dbraw/zinc/89/46/23/375894623.db2.gz OURCBYNUBGCEPJ-MRXNPFEDSA-N 1 1 262.397 3.145 20 30 CGEDMO C=CCCCCC[N@@H+]1CCOC[C@@H]1c1cccn1C ZINC000193556821 375894630 /nfs/dbraw/zinc/89/46/30/375894630.db2.gz OURCBYNUBGCEPJ-MRXNPFEDSA-N 1 1 262.397 3.145 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@H+]2CC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000528394432 375899602 /nfs/dbraw/zinc/89/96/02/375899602.db2.gz HQIGESQPTLJWSN-CABCVRRESA-N 1 1 290.794 3.142 20 30 CGEDMO N#CCCC[N@H+]1CCC[C@@]2(CCc3ccccc3O2)C1 ZINC000528734621 375908918 /nfs/dbraw/zinc/90/89/18/375908918.db2.gz LOQQZLDNCLNQJB-QGZVFWFLSA-N 1 1 270.376 3.150 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCN(c2nc(C)ns2)CC1 ZINC000193363003 375869337 /nfs/dbraw/zinc/86/93/37/375869337.db2.gz PSRWSIMSDXVFTF-UHFFFAOYSA-N 1 1 294.468 3.105 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000532126484 375949267 /nfs/dbraw/zinc/94/92/67/375949267.db2.gz NUXBHTHVQBQMDM-CYBMUJFWSA-N 1 1 253.386 3.006 20 30 CGEDMO CC[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000336852041 376012942 /nfs/dbraw/zinc/01/29/42/376012942.db2.gz IAUHVKXMAICUKK-HNNXBMFYSA-N 1 1 299.418 3.399 20 30 CGEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)c2cc(C)ccc2C)C1=O ZINC000337136328 376092663 /nfs/dbraw/zinc/09/26/63/376092663.db2.gz NDKWOVKCIQAREZ-RDJZCZTQSA-N 1 1 286.419 3.083 20 30 CGEDMO CC(C)(C)[C@@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337213766 376143797 /nfs/dbraw/zinc/14/37/97/376143797.db2.gz WRVQAYSOWYQLRX-OAHLLOKOSA-N 1 1 278.440 3.455 20 30 CGEDMO C=CC[C@@H](CC)NC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000537465616 376170209 /nfs/dbraw/zinc/17/02/09/376170209.db2.gz NGROXKPUVBXXAP-OAHLLOKOSA-N 1 1 295.471 3.295 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H]2c2ccccn2)c1F ZINC000538146919 376223587 /nfs/dbraw/zinc/22/35/87/376223587.db2.gz AFJFQZRPAXBZCJ-INIZCTEOSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]2c2ccccn2)c1F ZINC000538146919 376223589 /nfs/dbraw/zinc/22/35/89/376223589.db2.gz AFJFQZRPAXBZCJ-INIZCTEOSA-N 1 1 281.334 3.429 20 30 CGEDMO CC[C@@H](CSC)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000223573467 376257696 /nfs/dbraw/zinc/25/76/96/376257696.db2.gz HEMZEEXUBDLNIZ-ZDUSSCGKSA-N 1 1 266.385 3.271 20 30 CGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1 ZINC000223670586 376258569 /nfs/dbraw/zinc/25/85/69/376258569.db2.gz GICZXVVCWAKHFB-RYQLBKOJSA-N 1 1 284.403 3.246 20 30 CGEDMO C=C(CC)C[N@@H+](C)CCCOc1ccc(F)cc1 ZINC000539103801 376294547 /nfs/dbraw/zinc/29/45/47/376294547.db2.gz LUGPRQFCKRHGMD-UHFFFAOYSA-N 1 1 251.345 3.493 20 30 CGEDMO C=CCC[NH+](Cc1c(C)noc1C)Cc1c(C)noc1C ZINC000338546746 376419264 /nfs/dbraw/zinc/41/92/64/376419264.db2.gz JFOUZVAPJYDPSH-UHFFFAOYSA-N 1 1 289.379 3.475 20 30 CGEDMO CC[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000226983250 376376843 /nfs/dbraw/zinc/37/68/43/376376843.db2.gz HBCSFJSHHDPSKY-WMLDXEAASA-N 1 1 272.392 3.104 20 30 CGEDMO CC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(OC)c2)C1 ZINC000233924229 376607682 /nfs/dbraw/zinc/60/76/82/376607682.db2.gz CEHUCRGMYRRUCA-CYBMUJFWSA-N 1 1 258.365 3.189 20 30 CGEDMO N#CCC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000542853326 376586051 /nfs/dbraw/zinc/58/60/51/376586051.db2.gz HYSDBKLIOSTBLW-UHFFFAOYSA-N 1 1 281.359 3.467 20 30 CGEDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000235227624 376634104 /nfs/dbraw/zinc/63/41/04/376634104.db2.gz VKGORSIICJUYHQ-DYVFJYSZSA-N 1 1 290.382 3.213 20 30 CGEDMO C[C@H](CNc1ncc(C#N)cc1Cl)[N@H+]1CCCC[C@@H]1C ZINC000339135584 376701416 /nfs/dbraw/zinc/70/14/16/376701416.db2.gz FKFWKYWAZBXQRA-NWDGAFQWSA-N 1 1 292.814 3.281 20 30 CGEDMO COc1cc(C)[nH+]c(CN(C)Cc2cc(C#N)ccc2F)c1 ZINC000339828162 376864027 /nfs/dbraw/zinc/86/40/27/376864027.db2.gz GSOLJDHQGVRKMH-UHFFFAOYSA-N 1 1 299.349 3.041 20 30 CGEDMO CC(C)(C#N)CCC[N@@H+](C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000245633528 376871965 /nfs/dbraw/zinc/87/19/65/376871965.db2.gz QUMIRVQEBCCSAN-LSDHHAIUSA-N 1 1 296.480 3.303 20 30 CGEDMO C=CCCC[C@@H](C)NC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000245642372 376872123 /nfs/dbraw/zinc/87/21/23/376872123.db2.gz DTHIKYKMRVEHCZ-CVEARBPZSA-N 1 1 295.471 3.151 20 30 CGEDMO C[C@H]1C[N@H+](Cc2ccc(C#N)o2)[C@H]1c1ccccc1 ZINC000245708426 376887036 /nfs/dbraw/zinc/88/70/36/376887036.db2.gz FKOLGHPQZWLQMM-BLLLJJGKSA-N 1 1 252.317 3.344 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)o2)[C@H]1c1ccccc1 ZINC000245708426 376887043 /nfs/dbraw/zinc/88/70/43/376887043.db2.gz FKOLGHPQZWLQMM-BLLLJJGKSA-N 1 1 252.317 3.344 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@H]1C ZINC000245914385 376933008 /nfs/dbraw/zinc/93/30/08/376933008.db2.gz GGXJWECEFBFQHX-KBPBESRZSA-N 1 1 294.402 3.189 20 30 CGEDMO CC[C@H]1CCCC[N@@H+]1CCN[C@H](C)c1ccc(C#N)cc1 ZINC000245962042 376945215 /nfs/dbraw/zinc/94/52/15/376945215.db2.gz YIMLPWAWXRSDGO-QAPCUYQASA-N 1 1 285.435 3.473 20 30 CGEDMO CC[C@H]1CCCC[N@H+]1CCN[C@H](C)c1ccc(C#N)cc1 ZINC000245962042 376945219 /nfs/dbraw/zinc/94/52/19/376945219.db2.gz YIMLPWAWXRSDGO-QAPCUYQASA-N 1 1 285.435 3.473 20 30 CGEDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C[C@@H](C)C1 ZINC000246540408 377049663 /nfs/dbraw/zinc/04/96/63/377049663.db2.gz CZGUKANOTNINPL-GJZGRUSLSA-N 1 1 299.418 3.255 20 30 CGEDMO CCC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000246611767 377063060 /nfs/dbraw/zinc/06/30/60/377063060.db2.gz RIDFCNRGIYEDBH-CABCVRRESA-N 1 1 299.418 3.397 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1C[C@H](O)Cc1cccc(Cl)c1 ZINC000561886779 377249371 /nfs/dbraw/zinc/24/93/71/377249371.db2.gz MIDXTODUTUXLAV-JKSUJKDBSA-N 1 1 279.811 3.284 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCSC[C@@H]1c1ccc(C)cc1 ZINC000247431629 377203007 /nfs/dbraw/zinc/20/30/07/377203007.db2.gz NTVSLUUPASHYRD-DLBZAZTESA-N 1 1 291.460 3.412 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCSCC#N)[C@@H]2CCCC[C@@H]21 ZINC000248412094 377313101 /nfs/dbraw/zinc/31/31/01/377313101.db2.gz FBVUZHQNHKKBNC-MGPQQGTHSA-N 1 1 252.427 3.144 20 30 CGEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](C)[C@H]1C ZINC000248366872 377294801 /nfs/dbraw/zinc/29/48/01/377294801.db2.gz SQEDNNIBYBSYCX-BZUAXINKSA-N 1 1 299.418 3.052 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000248608675 377363689 /nfs/dbraw/zinc/36/36/89/377363689.db2.gz DZTINVNCDRNQKO-HZPDHXFCSA-N 1 1 280.456 3.073 20 30 CGEDMO C[C@@H](C[C@H]1CCCCC[NH2+]1)NCc1ccc(CC#N)cc1 ZINC000563155002 377409882 /nfs/dbraw/zinc/40/98/82/377409882.db2.gz XDLPTMOBZTZPMK-MAUKXSAKSA-N 1 1 285.435 3.153 20 30 CGEDMO CC[C@H]1CCCC[C@H]1[N@@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000563151493 377409967 /nfs/dbraw/zinc/40/99/67/377409967.db2.gz XCPXHVCCCWGABT-GOEBONIOSA-N 1 1 297.406 3.002 20 30 CGEDMO C[C@H](CC#N)[N@H+](C)C[C@H]1CCC2(CCCCC2)O1 ZINC000248853151 377413451 /nfs/dbraw/zinc/41/34/51/377413451.db2.gz QHNWVHOZRQOVOL-ZIAGYGMSSA-N 1 1 250.386 3.102 20 30 CGEDMO C[C@H](CC#N)[N@@H+](C)C[C@H]1CCC2(CCCCC2)O1 ZINC000248853151 377413456 /nfs/dbraw/zinc/41/34/56/377413456.db2.gz QHNWVHOZRQOVOL-ZIAGYGMSSA-N 1 1 250.386 3.102 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ncccc1O ZINC000566882426 377502811 /nfs/dbraw/zinc/50/28/11/377502811.db2.gz QKWDTBPAIGHVRC-RDJZCZTQSA-N 1 1 293.370 3.059 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CC[C@@H](c3cccnc3)C2)cc1 ZINC000566177752 377494718 /nfs/dbraw/zinc/49/47/18/377494718.db2.gz WHXQBGWQMRBDDD-QGZVFWFLSA-N 1 1 280.346 3.062 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+][C@H](CC(F)F)c1ccccc1 ZINC000566792370 377500241 /nfs/dbraw/zinc/50/02/41/377500241.db2.gz VCBGDKHWQBFADD-TZMCWYRMSA-N 1 1 277.318 3.416 20 30 CGEDMO C=CCCCC[N@@H+]1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000568951231 377524893 /nfs/dbraw/zinc/52/48/93/377524893.db2.gz HVIHWZKEEWBWLY-GOSISDBHSA-N 1 1 272.436 3.201 20 30 CGEDMO C=CCCCC[N@@H+](C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000569308031 377527920 /nfs/dbraw/zinc/52/79/20/377527920.db2.gz XNZWRLAXMMVVBF-HUUCEWRRSA-N 1 1 269.454 3.329 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+]Cc1ccc(-c2cccnc2)cc1 ZINC000570238553 377534038 /nfs/dbraw/zinc/53/40/38/377534038.db2.gz DXEYXDGTSMGYFE-MRXNPFEDSA-N 1 1 290.370 3.282 20 30 CGEDMO CCc1c(C)[nH+]c2ccccc2c1NCC1(C#N)CC1 ZINC000572908943 377553158 /nfs/dbraw/zinc/55/31/58/377553158.db2.gz FHVYDHMDFORPEG-UHFFFAOYSA-N 1 1 265.360 3.243 20 30 CGEDMO C=C(C)[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)c(F)c1 ZINC000573221015 377554121 /nfs/dbraw/zinc/55/41/21/377554121.db2.gz WZYNADZRLJYBDX-WWGRRREGSA-N 1 1 280.362 3.442 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)c(F)c2)[C@H]1C1CC1 ZINC000421357352 249126437 /nfs/dbraw/zinc/12/64/37/249126437.db2.gz NPWXCUXNUFJWJB-HNNXBMFYSA-N 1 1 258.340 3.318 20 30 CGEDMO CC[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])CC(C)(C)C ZINC000459503479 249153050 /nfs/dbraw/zinc/15/30/50/249153050.db2.gz QDVDIWVMFBLJQN-UHFFFAOYSA-N 1 1 275.352 3.334 20 30 CGEDMO CC[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])CC(C)(C)C ZINC000459503479 249153052 /nfs/dbraw/zinc/15/30/52/249153052.db2.gz QDVDIWVMFBLJQN-UHFFFAOYSA-N 1 1 275.352 3.334 20 30 CGEDMO C=CCCCNc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000265795308 190207459 /nfs/dbraw/zinc/20/74/59/190207459.db2.gz AJTHXCIOXVIRDM-OAHLLOKOSA-N 1 1 274.408 3.458 20 30 CGEDMO CC(C)CO[C@@H]1CC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000253158788 377680820 /nfs/dbraw/zinc/68/08/20/377680820.db2.gz QNKLDVSKAOBOCN-RHSMWYFYSA-N 1 1 272.392 3.366 20 30 CGEDMO C=CCC1(C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CCC1 ZINC000253279700 377681887 /nfs/dbraw/zinc/68/18/87/377681887.db2.gz SUWZAWPXDANIOM-XHSDSOJGSA-N 1 1 292.467 3.215 20 30 CGEDMO N#Cc1ccc(C[N@H+](CCC(F)(F)F)C2CC2)cc1 ZINC000265834998 190211494 /nfs/dbraw/zinc/21/14/94/190211494.db2.gz MARRMUREZBXFPC-UHFFFAOYSA-N 1 1 268.282 3.475 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000342729417 377760016 /nfs/dbraw/zinc/76/00/16/377760016.db2.gz DYSNZGDVRLHKRL-MRXNPFEDSA-N 1 1 288.435 3.320 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000342735743 377764413 /nfs/dbraw/zinc/76/44/13/377764413.db2.gz JEISRMGYFONXBP-UHFFFAOYSA-N 1 1 259.328 3.019 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(C)c1C ZINC000342737832 377764668 /nfs/dbraw/zinc/76/46/68/377764668.db2.gz LIRAXUDDLDQVKQ-AWEZNQCLSA-N 1 1 260.381 3.138 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000342741970 377768384 /nfs/dbraw/zinc/76/83/84/377768384.db2.gz ZSUOYSMYZGYBOW-UHFFFAOYSA-N 1 1 286.297 3.152 20 30 CGEDMO CC[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccn(C)n1 ZINC000342808946 377809507 /nfs/dbraw/zinc/80/95/07/377809507.db2.gz SAXWRHOOTUFUIF-OAHLLOKOSA-N 1 1 280.375 3.022 20 30 CGEDMO C[C@H](CCNc1ccnc(C#N)c1)[N@@H+](C)Cc1ccccc1 ZINC000342792137 377797442 /nfs/dbraw/zinc/79/74/42/377797442.db2.gz TXEBSILSGBVHJJ-OAHLLOKOSA-N 1 1 294.402 3.276 20 30 CGEDMO CC[N@H+]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)[C@@H](C)C1 ZINC000343286192 377946251 /nfs/dbraw/zinc/94/62/51/377946251.db2.gz MIRXMFCRCBDKKR-NSHDSACASA-N 1 1 297.324 3.107 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000265634468 378005996 /nfs/dbraw/zinc/00/59/96/378005996.db2.gz QFBCJRKCEYTGGQ-MRXNPFEDSA-N 1 1 299.418 3.220 20 30 CGEDMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000266011179 378013512 /nfs/dbraw/zinc/01/35/12/378013512.db2.gz SAHPCQUTMFSYJO-UONOGXRCSA-N 1 1 258.365 3.209 20 30 CGEDMO CC[N@H+](CCC#N)CCC(=O)Nc1cccc2ccccc21 ZINC000266885781 378027490 /nfs/dbraw/zinc/02/74/90/378027490.db2.gz BGJITERWEQAHRU-UHFFFAOYSA-N 1 1 295.386 3.404 20 30 CGEDMO CC[N@@H+](CCC#N)CCC(=O)Nc1cccc2ccccc21 ZINC000266885781 378027497 /nfs/dbraw/zinc/02/74/97/378027497.db2.gz BGJITERWEQAHRU-UHFFFAOYSA-N 1 1 295.386 3.404 20 30 CGEDMO CCCOc1ccc([C@H](C)[NH2+]CC2(C#N)CC2)cc1OC ZINC000343581906 378027956 /nfs/dbraw/zinc/02/79/56/378027956.db2.gz OIGGGSNQBVHTAN-ZDUSSCGKSA-N 1 1 288.391 3.438 20 30 CGEDMO C[C@@H](C#N)S[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000578131737 378039376 /nfs/dbraw/zinc/03/93/76/378039376.db2.gz RXSRAAOWKSPCQV-DZGCQCFKSA-N 1 1 260.406 3.296 20 30 CGEDMO C=CCOc1cccc(C[N@H+](C)CCCSC)c1 ZINC000343674052 378061273 /nfs/dbraw/zinc/06/12/73/378061273.db2.gz IHSNGBSWQIXLIP-UHFFFAOYSA-N 1 1 265.422 3.436 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1cc(OC)ccc1Br ZINC000578457426 378071787 /nfs/dbraw/zinc/07/17/87/378071787.db2.gz TUQXQYCFKMETMD-UHFFFAOYSA-N 1 1 284.197 3.466 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cc(OC)ccc1Br ZINC000578457426 378071788 /nfs/dbraw/zinc/07/17/88/378071788.db2.gz TUQXQYCFKMETMD-UHFFFAOYSA-N 1 1 284.197 3.466 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000343752086 378083068 /nfs/dbraw/zinc/08/30/68/378083068.db2.gz RXFWBQOSJZZGSP-LLVKDONJSA-N 1 1 287.329 3.194 20 30 CGEDMO C[N@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CC=CCC1 ZINC000344012369 378153411 /nfs/dbraw/zinc/15/34/11/378153411.db2.gz BSYNGMDCWORHEP-CYBMUJFWSA-N 1 1 258.340 3.485 20 30 CGEDMO N#Cc1cccc(OCCC[N@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000344015815 378153658 /nfs/dbraw/zinc/15/36/58/378153658.db2.gz MMMWRBWADRXJNZ-MRXNPFEDSA-N 1 1 270.376 3.059 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000268676453 378089587 /nfs/dbraw/zinc/08/95/87/378089587.db2.gz VYRDKNTWMXTWAM-JKSUJKDBSA-N 1 1 263.356 3.290 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC3(CCC3)C2)c1C ZINC000344224204 378163404 /nfs/dbraw/zinc/16/34/04/378163404.db2.gz IAIMOIPKXSTOLU-UHFFFAOYSA-N 1 1 286.419 3.350 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC3(CCC3)C2)c1C ZINC000344224204 378163408 /nfs/dbraw/zinc/16/34/08/378163408.db2.gz IAIMOIPKXSTOLU-UHFFFAOYSA-N 1 1 286.419 3.350 20 30 CGEDMO COc1cccc(C[N@H+](C)Cc2ccc(C#N)cc2OC)c1 ZINC000271051594 378439807 /nfs/dbraw/zinc/43/98/07/378439807.db2.gz PUHOHESSMDYPEL-UHFFFAOYSA-N 1 1 296.370 3.207 20 30 CGEDMO COc1cccc(C[N@@H+](C)Cc2ccc(C#N)cc2OC)c1 ZINC000271051594 378439816 /nfs/dbraw/zinc/43/98/16/378439816.db2.gz PUHOHESSMDYPEL-UHFFFAOYSA-N 1 1 296.370 3.207 20 30 CGEDMO CC(C)[N@@H+](CCOc1ccccc1C#N)Cc1ccco1 ZINC000346351665 378554445 /nfs/dbraw/zinc/55/44/45/378554445.db2.gz NYJPCGFXQFFGGA-UHFFFAOYSA-N 1 1 284.359 3.441 20 30 CGEDMO CC1=CC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000272263985 378598744 /nfs/dbraw/zinc/59/87/44/378598744.db2.gz KODKEMUWCWSWHN-UHFFFAOYSA-N 1 1 292.386 3.111 20 30 CGEDMO C=CCOc1ccc(CN(C)CC(C)(C)C[NH3+])cc1Cl ZINC000346693038 378676663 /nfs/dbraw/zinc/67/66/63/378676663.db2.gz KMWHLPBSITVSDW-UHFFFAOYSA-N 1 1 296.842 3.322 20 30 CGEDMO C=CCOCCC[N@@H+]1C[C@@H](c2ccccc2C)OC[C@@H]1C ZINC000348028901 378758297 /nfs/dbraw/zinc/75/82/97/378758297.db2.gz CVROVXOPTVXJGK-WMZOPIPTSA-N 1 1 289.419 3.350 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000347279945 378714386 /nfs/dbraw/zinc/71/43/86/378714386.db2.gz NGXMOEUWHUATDT-ZIAGYGMSSA-N 1 1 272.392 3.435 20 30 CGEDMO C#CC[C@@H]([NH2+]C1CCN(C(C)C)CC1)c1ccccc1 ZINC000272949173 378729033 /nfs/dbraw/zinc/72/90/33/378729033.db2.gz NRSUZFDLDVFIAV-GOSISDBHSA-N 1 1 270.420 3.213 20 30 CGEDMO C=CCOCCC[N@@H+]1CCC[C@@H]1c1ccccc1OC ZINC000348044545 378764467 /nfs/dbraw/zinc/76/44/67/378764467.db2.gz ZWKHKWDTZUSDFO-MRXNPFEDSA-N 1 1 275.392 3.425 20 30 CGEDMO C#CC[N@@H+](Cc1cccc(OCc2ccccn2)c1)C1CC1 ZINC000274063943 378772331 /nfs/dbraw/zinc/77/23/31/378772331.db2.gz DRSRDIPMQBDRRM-UHFFFAOYSA-N 1 1 292.382 3.258 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000289475147 197364271 /nfs/dbraw/zinc/36/42/71/197364271.db2.gz ZKABEKALFDGMDE-KRWDZBQOSA-N 1 1 277.371 3.333 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000348191804 378831492 /nfs/dbraw/zinc/83/14/92/378831492.db2.gz FJPIIRXZWSTDQA-NSHDSACASA-N 1 1 265.319 3.242 20 30 CGEDMO C=C(C)CC[N@H+](CCC)CC(=O)Nc1ccccc1OC ZINC000274761872 378890439 /nfs/dbraw/zinc/89/04/39/378890439.db2.gz KKBOOQOBVVEZII-UHFFFAOYSA-N 1 1 290.407 3.312 20 30 CGEDMO C=CC[N@H+](C[C@H](O)c1ccc(F)cc1Cl)C1CC1 ZINC000274831835 378903555 /nfs/dbraw/zinc/90/35/55/378903555.db2.gz MLXVPPVPTNXJST-AWEZNQCLSA-N 1 1 269.747 3.163 20 30 CGEDMO C=CC[C@H](C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1 ZINC000275058762 378931897 /nfs/dbraw/zinc/93/18/97/378931897.db2.gz GZQXDSKUCSRLKM-OKZBNKHCSA-N 1 1 298.430 3.089 20 30 CGEDMO CC1(C)C[N@H+](Cc2ccc(C#N)o2)Cc2ccccc21 ZINC000353686302 220255553 /nfs/dbraw/zinc/25/55/53/220255553.db2.gz WWINNNJFKYWCQS-UHFFFAOYSA-N 1 1 266.344 3.445 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)o2)Cc2ccccc21 ZINC000353686302 220255557 /nfs/dbraw/zinc/25/55/57/220255557.db2.gz WWINNNJFKYWCQS-UHFFFAOYSA-N 1 1 266.344 3.445 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@H](Cc3ccncc3)C2)c1 ZINC000370722557 379059572 /nfs/dbraw/zinc/05/95/72/379059572.db2.gz TVUDORZZSOYNSE-GOSISDBHSA-N 1 1 277.371 3.018 20 30 CGEDMO CC[C@H](CO)[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000347374688 218211568 /nfs/dbraw/zinc/21/15/68/218211568.db2.gz XHGKUKXEIUFTSE-LJQANCHMSA-N 1 1 294.398 3.331 20 30 CGEDMO N#CCC[N@@H+](CC1CC1)C[C@H]1CCOc2ccccc21 ZINC000371417734 379161441 /nfs/dbraw/zinc/16/14/41/379161441.db2.gz WYFHFFKPEGOXTC-OAHLLOKOSA-N 1 1 270.376 3.178 20 30 CGEDMO CCc1nnc([C@@H](C)[NH2+][C@H](CC)c2ccc(C#N)cc2)[nH]1 ZINC000278818947 194169092 /nfs/dbraw/zinc/16/90/92/194169092.db2.gz SJOQHJHZKPZXIR-BXUZGUMPSA-N 1 1 283.379 3.041 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000373277810 379253455 /nfs/dbraw/zinc/25/34/55/379253455.db2.gz IRPYGGGQRVFPSE-OAHLLOKOSA-N 1 1 261.413 3.346 20 30 CGEDMO CO[C@@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000374666097 379473622 /nfs/dbraw/zinc/47/36/22/379473622.db2.gz UBNAUDHNNZFRDK-MRXNPFEDSA-N 1 1 286.419 3.489 20 30 CGEDMO CC#CC[N@H+](C)Cc1oc(-c2ccccc2)nc1C ZINC000639657501 379532271 /nfs/dbraw/zinc/53/22/71/379532271.db2.gz AHUJAAUNCLYOOU-UHFFFAOYSA-N 1 1 254.333 3.105 20 30 CGEDMO CC#CC[N@@H+](C)Cc1oc(-c2ccccc2)nc1C ZINC000639657501 379532276 /nfs/dbraw/zinc/53/22/76/379532276.db2.gz AHUJAAUNCLYOOU-UHFFFAOYSA-N 1 1 254.333 3.105 20 30 CGEDMO C[C@H]1C[C@@H](N2CCCC2)C[N@@H+]1CCCCC(C)(C)C#N ZINC000375760301 379509311 /nfs/dbraw/zinc/50/93/11/379509311.db2.gz FLOLYQFPFWPSIK-JKSUJKDBSA-N 1 1 277.456 3.265 20 30 CGEDMO C[C@H]1C[C@@H](N2CCCC2)C[N@H+]1CCCCC(C)(C)C#N ZINC000375760301 379509317 /nfs/dbraw/zinc/50/93/17/379509317.db2.gz FLOLYQFPFWPSIK-JKSUJKDBSA-N 1 1 277.456 3.265 20 30 CGEDMO C=CCC[C@H](CC)[NH2+]C1CC(N2CCCCC2)C1 ZINC000376029521 379520125 /nfs/dbraw/zinc/52/01/25/379520125.db2.gz OQKZRJGFIWPXPP-FHERZECASA-N 1 1 250.430 3.338 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2nc(C3CCC3)no2)C1 ZINC000639798716 379592137 /nfs/dbraw/zinc/59/21/37/379592137.db2.gz LQEYFDZVYSYECA-GFCCVEGCSA-N 1 1 261.369 3.125 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2nc(C3CCC3)no2)C1 ZINC000639798716 379592145 /nfs/dbraw/zinc/59/21/45/379592145.db2.gz LQEYFDZVYSYECA-GFCCVEGCSA-N 1 1 261.369 3.125 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000376491481 379566403 /nfs/dbraw/zinc/56/64/03/379566403.db2.gz LSOLBNRXWYKSGU-AWEZNQCLSA-N 1 1 285.366 3.449 20 30 CGEDMO C=C1CC[NH+](Cc2conc2Cc2ccccc2)CC1 ZINC000351447738 379722661 /nfs/dbraw/zinc/72/26/61/379722661.db2.gz DRYLGIKVHAXNFV-UHFFFAOYSA-N 1 1 268.360 3.417 20 30 CGEDMO CC(C)[C@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000395788062 379921248 /nfs/dbraw/zinc/92/12/48/379921248.db2.gz RKYPORANYDGSRJ-QGZVFWFLSA-N 1 1 299.418 3.397 20 30 CGEDMO C=C(CC)C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000398044436 379927486 /nfs/dbraw/zinc/92/74/86/379927486.db2.gz UYUYGZSZAXEMCI-WMZOPIPTSA-N 1 1 272.436 3.453 20 30 CGEDMO COc1cc(C[N@@H+](C)[C@@H](C)c2ccco2)ccc1C#N ZINC000282237687 379879025 /nfs/dbraw/zinc/87/90/25/379879025.db2.gz IVYVPDICJMHSNC-LBPRGKRZSA-N 1 1 270.332 3.353 20 30 CGEDMO Cc1cc(C[NH2+]C[C@@H](C)C#N)sc1Br ZINC000389296589 379896252 /nfs/dbraw/zinc/89/62/52/379896252.db2.gz KIKSIDKILODZPO-ZETCQYMHSA-N 1 1 273.199 3.068 20 30 CGEDMO CC(C)([NH2+]Cc1nc(C#N)cs1)c1cccs1 ZINC000352839557 379995051 /nfs/dbraw/zinc/99/50/51/379995051.db2.gz MZNNYFJSWHYNLF-UHFFFAOYSA-N 1 1 263.391 3.101 20 30 CGEDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000352871575 380014418 /nfs/dbraw/zinc/01/44/18/380014418.db2.gz BQOKHASGPSGVGW-CJNGLKHVSA-N 1 1 290.382 3.213 20 30 CGEDMO C=CCN1CC[C@@H]([N@@H+]2CCCCC[C@H]2CC(C)C)C1=O ZINC000410385006 380090610 /nfs/dbraw/zinc/09/06/10/380090610.db2.gz UZAUXRIOPOXHCP-JKSUJKDBSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCN1CC[C@@H]([N@@H+](CCC)CC2CCCCC2)C1=O ZINC000410334476 380087045 /nfs/dbraw/zinc/08/70/45/380087045.db2.gz YOOZZLFUZPSPOS-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@H+](CC1CCCCC1)[C@H](C)c1nnnn1C1CC1 ZINC000411252736 380135996 /nfs/dbraw/zinc/13/59/96/380135996.db2.gz CFLUXAVZCIDONC-CYBMUJFWSA-N 1 1 289.427 3.137 20 30 CGEDMO C=CC[N@@H+](CC1CCCCC1)[C@H](C)c1nnnn1C1CC1 ZINC000411252736 380135999 /nfs/dbraw/zinc/13/59/99/380135999.db2.gz CFLUXAVZCIDONC-CYBMUJFWSA-N 1 1 289.427 3.137 20 30 CGEDMO N#CC1(CC[N@H+]2CCOCC23CCCC3)CCCCC1 ZINC000411412467 380144721 /nfs/dbraw/zinc/14/47/21/380144721.db2.gz IECUQIDJOJDFHO-UHFFFAOYSA-N 1 1 276.424 3.496 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000411483938 380148509 /nfs/dbraw/zinc/14/85/09/380148509.db2.gz FSYHRUBZZUNXIR-HNNXBMFYSA-N 1 1 298.386 3.337 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000411483938 380148514 /nfs/dbraw/zinc/14/85/14/380148514.db2.gz FSYHRUBZZUNXIR-HNNXBMFYSA-N 1 1 298.386 3.337 20 30 CGEDMO C=CC[N@@H+](CCc1cncs1)Cc1ccccc1 ZINC000411133970 380130171 /nfs/dbraw/zinc/13/01/71/380130171.db2.gz MTNGKHSIZCBGKG-UHFFFAOYSA-N 1 1 258.390 3.374 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)CCc1cncs1 ZINC000411489830 380148812 /nfs/dbraw/zinc/14/88/12/380148812.db2.gz LCCYNQUTHNQLNQ-UHFFFAOYSA-N 1 1 262.378 3.009 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)N[C@H](C)CC ZINC000411142418 380130929 /nfs/dbraw/zinc/13/09/29/380130929.db2.gz WPFMDXNANVZWET-CHWSQXEVSA-N 1 1 280.437 3.039 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)N[C@H](C)CC ZINC000411142418 380130940 /nfs/dbraw/zinc/13/09/40/380130940.db2.gz WPFMDXNANVZWET-CHWSQXEVSA-N 1 1 280.437 3.039 20 30 CGEDMO CCOC(=O)[C@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411139781 380132171 /nfs/dbraw/zinc/13/21/71/380132171.db2.gz SYIJRSQGTASWHH-HNNXBMFYSA-N 1 1 292.423 3.126 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)[C@H](C)C(=O)N[C@H](C)CCC ZINC000411492594 380148994 /nfs/dbraw/zinc/14/89/94/380148994.db2.gz XDJLXQQNGFWXDC-HUUCEWRRSA-N 1 1 292.423 3.003 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)[C@H](C)C(=O)N[C@H](C)CCC ZINC000411492594 380149003 /nfs/dbraw/zinc/14/90/03/380149003.db2.gz XDJLXQQNGFWXDC-HUUCEWRRSA-N 1 1 292.423 3.003 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)[C@@H](C)C(=O)N[C@H](C)CCC ZINC000411492592 380149952 /nfs/dbraw/zinc/14/99/52/380149952.db2.gz XDJLXQQNGFWXDC-CABCVRRESA-N 1 1 292.423 3.003 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)[C@@H](C)C(=O)N[C@H](C)CCC ZINC000411492592 380149957 /nfs/dbraw/zinc/14/99/57/380149957.db2.gz XDJLXQQNGFWXDC-CABCVRRESA-N 1 1 292.423 3.003 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000353167582 380150622 /nfs/dbraw/zinc/15/06/22/380150622.db2.gz YXBHHAZGBXABKN-NSHDSACASA-N 1 1 250.411 3.276 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000353167582 380150628 /nfs/dbraw/zinc/15/06/28/380150628.db2.gz YXBHHAZGBXABKN-NSHDSACASA-N 1 1 250.411 3.276 20 30 CGEDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2ccccc2C#N)C1(C)C ZINC000353936171 380244775 /nfs/dbraw/zinc/24/47/75/380244775.db2.gz YSTHMRUHMCDYBX-WBVHZDCISA-N 1 1 272.392 3.194 20 30 CGEDMO C[C@@H]([NH2+][C@@H](c1nccn1C)C1CC1)c1ccc(C#N)c(F)c1 ZINC000353936443 380244852 /nfs/dbraw/zinc/24/48/52/380244852.db2.gz YTNKMNHFQLCPKI-BDJLRTHQSA-N 1 1 298.365 3.233 20 30 CGEDMO C[N@H+]1CCN(Cc2cc(C#N)cs2)c2ccccc2C1 ZINC000353588705 380215708 /nfs/dbraw/zinc/21/57/08/380215708.db2.gz NCHFJAMDKCMAII-UHFFFAOYSA-N 1 1 283.400 3.072 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000354099797 380322048 /nfs/dbraw/zinc/32/20/48/380322048.db2.gz HQHMWNUDENVYQL-DLBZAZTESA-N 1 1 287.403 3.110 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC3(C2)CCOCC3)cc1 ZINC000354044119 380296759 /nfs/dbraw/zinc/29/67/59/380296759.db2.gz FQZSAADIKYJBJI-UHFFFAOYSA-N 1 1 287.403 3.254 20 30 CGEDMO C=CCCCN(C)C(=O)[C@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000354365773 380414454 /nfs/dbraw/zinc/41/44/54/380414454.db2.gz DZMUIQATVBETIX-KRWDZBQOSA-N 1 1 288.435 3.322 20 30 CGEDMO CC1(C)C[N@@H+](Cc2cnc3ccc(C#N)cn23)[C@H]2CCC[C@H]21 ZINC000354581522 380494015 /nfs/dbraw/zinc/49/40/15/380494015.db2.gz QAHLYMVSXDKENM-CVEARBPZSA-N 1 1 294.402 3.216 20 30 CGEDMO CC[C@@H]1CCCC[N@H+]1CCNc1nc(C)cc(C)c1C#N ZINC000354642530 380511446 /nfs/dbraw/zinc/51/14/46/380511446.db2.gz ZRFZFSYSUNENSM-OAHLLOKOSA-N 1 1 286.423 3.247 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000644960844 380554564 /nfs/dbraw/zinc/55/45/64/380554564.db2.gz VLNQXPUEHYOLMS-HOCLYGCPSA-N 1 1 261.409 3.069 20 30 CGEDMO CC[N@@H+](CCC1CC1)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000355062006 380571501 /nfs/dbraw/zinc/57/15/01/380571501.db2.gz PIWSOBYRISWHIO-CYBMUJFWSA-N 1 1 285.391 3.007 20 30 CGEDMO CC[N@@H+](CCC1CC1)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000355064992 380571992 /nfs/dbraw/zinc/57/19/92/380571992.db2.gz RVGNEVRQYUDTJV-CYBMUJFWSA-N 1 1 285.391 3.007 20 30 CGEDMO C=CC[N@@H+](CCOC)Cc1c(F)cccc1CC ZINC000355120989 380585293 /nfs/dbraw/zinc/58/52/93/380585293.db2.gz KNCUGACKSCELAT-UHFFFAOYSA-N 1 1 251.345 3.023 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1c(F)cccc1CC ZINC000355120989 380585298 /nfs/dbraw/zinc/58/52/98/380585298.db2.gz KNCUGACKSCELAT-UHFFFAOYSA-N 1 1 251.345 3.023 20 30 CGEDMO C=CCN(C(=O)[C@H](CC)[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000355503270 380690637 /nfs/dbraw/zinc/69/06/37/380690637.db2.gz FIDSDQJRYXNHBM-KRWDZBQOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2cc(C)nn2C)CCCC1(C)C ZINC000418032392 380693291 /nfs/dbraw/zinc/69/32/91/380693291.db2.gz LWUAPIRZYHDAPA-OAHLLOKOSA-N 1 1 261.413 3.295 20 30 CGEDMO CC[N@@H+](CCC#N)C[C@@H](C)Cc1ccc(OC)c(F)c1 ZINC000355752515 380768662 /nfs/dbraw/zinc/76/86/62/380768662.db2.gz OLOPZFZRQMCKHH-ZDUSSCGKSA-N 1 1 278.371 3.248 20 30 CGEDMO C=C[C@H]1CCCCN1c1cc[nH+]cc1Br ZINC000355681711 380750160 /nfs/dbraw/zinc/75/01/60/380750160.db2.gz JXIAWJGIWZOGKV-JTQLQIEISA-N 1 1 267.170 3.389 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000355777073 380775464 /nfs/dbraw/zinc/77/54/64/380775464.db2.gz CFMNRODJSJICEY-MGPQQGTHSA-N 1 1 272.392 3.433 20 30 CGEDMO CC[N@@H+](Cc1nc(C#N)cs1)[C@H]1CCCC[C@H]1C ZINC000419248265 380788999 /nfs/dbraw/zinc/78/89/99/380788999.db2.gz CNCVHEPSPOOFNB-YPMHNXCESA-N 1 1 263.410 3.415 20 30 CGEDMO C=CC[N@@H+](CCOC)Cc1cscc1C(F)(F)F ZINC000356401423 380799367 /nfs/dbraw/zinc/79/93/67/380799367.db2.gz WNINCMQKCYUAQK-UHFFFAOYSA-N 1 1 279.327 3.401 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cscc1C(F)(F)F ZINC000356401423 380799370 /nfs/dbraw/zinc/79/93/70/380799370.db2.gz WNINCMQKCYUAQK-UHFFFAOYSA-N 1 1 279.327 3.401 20 30 CGEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000646116737 380840445 /nfs/dbraw/zinc/84/04/45/380840445.db2.gz DDGDGYNGOXUBBA-RDJZCZTQSA-N 1 1 296.414 3.070 20 30 CGEDMO C[C@H](CN1CCCCCC1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421346083 380888448 /nfs/dbraw/zinc/88/84/48/380888448.db2.gz SEUOYGGIJHPQNP-CQSZACIVSA-N 1 1 289.398 3.051 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCCSCC1 ZINC000357227346 381075495 /nfs/dbraw/zinc/07/54/95/381075495.db2.gz DYDKTUYEUWYOCB-UHFFFAOYSA-N 1 1 263.406 3.190 20 30 CGEDMO C[C@H]1CCC[C@H](C)[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000357739558 381272673 /nfs/dbraw/zinc/27/26/73/381272673.db2.gz HVMSYFSYTNHUKF-KBPBESRZSA-N 1 1 285.391 3.007 20 30 CGEDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000360475313 381554142 /nfs/dbraw/zinc/55/41/42/381554142.db2.gz BJDSWRHIMCWDJI-CZUORRHYSA-N 1 1 267.376 3.431 20 30 CGEDMO COc1ccc(C[N@H+]2CCC(C)=C(C)C2)cc1C#N ZINC000361124295 381650757 /nfs/dbraw/zinc/65/07/57/381650757.db2.gz DKTOLZRROHGWPB-UHFFFAOYSA-N 1 1 256.349 3.109 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH+]1CCC(COc2ccccc2)CC1 ZINC000361461414 381754033 /nfs/dbraw/zinc/75/40/33/381754033.db2.gz FHFIDCIRMIRXOU-KRWDZBQOSA-N 1 1 297.402 3.221 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000361525552 381786442 /nfs/dbraw/zinc/78/64/42/381786442.db2.gz NTLYZVASSZXWAQ-ZBFHGGJFSA-N 1 1 267.413 3.001 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H](CC(N)=O)c1ccccc1 ZINC000361470665 381760909 /nfs/dbraw/zinc/76/09/09/381760909.db2.gz UQLUEWQYPKGIIY-INIZCTEOSA-N 1 1 274.408 3.281 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)CCOc1ccc(F)cc1 ZINC000362170599 381895280 /nfs/dbraw/zinc/89/52/80/381895280.db2.gz QTDOJQJUEYTZSW-UHFFFAOYSA-N 1 1 278.371 3.466 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)CCOc1ccc(F)cc1 ZINC000362170599 381895284 /nfs/dbraw/zinc/89/52/84/381895284.db2.gz QTDOJQJUEYTZSW-UHFFFAOYSA-N 1 1 278.371 3.466 20 30 CGEDMO C#CCC[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000362447378 381996164 /nfs/dbraw/zinc/99/61/64/381996164.db2.gz GQRQFAHLKYQRPY-UHFFFAOYSA-N 1 1 285.366 3.104 20 30 CGEDMO Cc1cc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)ccc1C#N ZINC000362950588 382159640 /nfs/dbraw/zinc/15/96/40/382159640.db2.gz FFXCTGCPUHESKM-LJQANCHMSA-N 1 1 292.382 3.440 20 30 CGEDMO Cc1cc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)ccc1C#N ZINC000362950588 382159649 /nfs/dbraw/zinc/15/96/49/382159649.db2.gz FFXCTGCPUHESKM-LJQANCHMSA-N 1 1 292.382 3.440 20 30 CGEDMO CO[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000363676236 382245782 /nfs/dbraw/zinc/24/57/82/382245782.db2.gz VQOKIOWTNFTKKG-XJKSGUPXSA-N 1 1 258.365 3.120 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)cc1 ZINC000280911250 195024700 /nfs/dbraw/zinc/02/47/00/195024700.db2.gz FSJJSPVTABRNIX-QRVBRYPASA-N 1 1 298.430 3.464 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c(F)c1 ZINC000335250100 208026603 /nfs/dbraw/zinc/02/66/03/208026603.db2.gz SQHSMCZWZLQPCX-WMZOPIPTSA-N 1 1 296.345 3.005 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c(F)c1 ZINC000335250100 208026607 /nfs/dbraw/zinc/02/66/07/208026607.db2.gz SQHSMCZWZLQPCX-WMZOPIPTSA-N 1 1 296.345 3.005 20 30 CGEDMO C[C@@H]1C[C@@H](C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)CCO1 ZINC000335329984 208203538 /nfs/dbraw/zinc/20/35/38/208203538.db2.gz SFBMPKPIOZOGBD-WBVHZDCISA-N 1 1 296.414 3.462 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000335378536 208317595 /nfs/dbraw/zinc/31/75/95/208317595.db2.gz HAMTVGRCAWEHOR-PBHICJAKSA-N 1 1 288.366 3.088 20 30 CGEDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C#N)cc2F)C[C@H]1C ZINC000353767003 220316443 /nfs/dbraw/zinc/31/64/43/220316443.db2.gz JVBYWLAIPVJTRG-CZUORRHYSA-N 1 1 289.398 3.002 20 30 CGEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2C#N)C1(C)C ZINC000353778781 220326471 /nfs/dbraw/zinc/32/64/71/220326471.db2.gz FIRSHHCPCVPAMP-HOTGVXAUSA-N 1 1 272.392 3.194 20 30 CGEDMO C[C@@H]1C[N@@H+](CCOc2cccc(C#N)c2)C(C)(C)C1 ZINC000350262476 219003441 /nfs/dbraw/zinc/00/34/41/219003441.db2.gz ZTEFRVBJPMQBCL-ZDUSSCGKSA-N 1 1 258.365 3.057 20 30 CGEDMO CC(C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000307767962 542422540 /nfs/dbraw/zinc/42/25/40/542422540.db2.gz AOAANUFJJQZKBI-INIZCTEOSA-N 1 1 299.418 3.255 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2c2cccc(F)c2)cc1 ZINC000281607496 195307327 /nfs/dbraw/zinc/30/73/27/195307327.db2.gz GRMBDDXTKQMJFF-QZTJIDSGSA-N 1 1 296.345 3.005 20 30 CGEDMO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(C#N)cc1 ZINC000428311683 533455104 /nfs/dbraw/zinc/45/51/04/533455104.db2.gz CKTIHMGBLVBLDT-GFCCVEGCSA-N 1 1 279.318 3.420 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)cc1C#N ZINC000191230502 130205708 /nfs/dbraw/zinc/20/57/08/130205708.db2.gz JGDJMDKUDZVQAK-QGZVFWFLSA-N 1 1 283.350 3.373 20 30 CGEDMO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191406675 130232559 /nfs/dbraw/zinc/23/25/59/130232559.db2.gz ALKCALITKFWOPQ-KSSFIOAISA-N 1 1 279.387 3.275 20 30 CGEDMO CC[N@H+](Cc1cc(C#N)ccc1Br)C1CC1 ZINC000191775214 130299246 /nfs/dbraw/zinc/29/92/46/130299246.db2.gz BMOFRWWHLCNGIL-UHFFFAOYSA-N 1 1 279.181 3.305 20 30 CGEDMO CC[N@@H+](Cc1cc(C#N)ccc1Br)C1CC1 ZINC000191775214 130299249 /nfs/dbraw/zinc/29/92/49/130299249.db2.gz BMOFRWWHLCNGIL-UHFFFAOYSA-N 1 1 279.181 3.305 20 30 CGEDMO C=CCOc1ccc(CNCC[NH+]2CCC(C)CC2)cc1 ZINC000040771726 391985177 /nfs/dbraw/zinc/98/51/77/391985177.db2.gz GBZBZNQUQPFBHB-UHFFFAOYSA-N 1 1 288.435 3.073 20 30 CGEDMO C=CCOc1ccccc1CNCC[NH+]1CCC(C)CC1 ZINC000040771957 391985270 /nfs/dbraw/zinc/98/52/70/391985270.db2.gz XLRJDWJZQZIIJX-UHFFFAOYSA-N 1 1 288.435 3.073 20 30 CGEDMO CCC(CC)C[N@@H+](CC)CC(=O)Nc1cccc(C#N)c1 ZINC000048970462 392029760 /nfs/dbraw/zinc/02/97/60/392029760.db2.gz DFLKSAYNJWNGMV-UHFFFAOYSA-N 1 1 287.407 3.255 20 30 CGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](C)CC1 ZINC000063308455 392136194 /nfs/dbraw/zinc/13/61/94/392136194.db2.gz WAYPLMNBRMQHTJ-KGLIPLIRSA-N 1 1 285.391 3.007 20 30 CGEDMO N#CCC[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)CC1CC1 ZINC000093091441 392234947 /nfs/dbraw/zinc/23/49/47/392234947.db2.gz FJAKCFNDEYXSIA-UHFFFAOYSA-N 1 1 298.365 3.341 20 30 CGEDMO N#CCC[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)CC1CC1 ZINC000093091441 392234953 /nfs/dbraw/zinc/23/49/53/392234953.db2.gz FJAKCFNDEYXSIA-UHFFFAOYSA-N 1 1 298.365 3.341 20 30 CGEDMO C=CCC[N@@H+](C)[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000284217456 392310298 /nfs/dbraw/zinc/31/02/98/392310298.db2.gz UDKCPFGTDRAOIE-LBPRGKRZSA-N 1 1 257.337 3.306 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000284217456 392310301 /nfs/dbraw/zinc/31/03/01/392310301.db2.gz UDKCPFGTDRAOIE-LBPRGKRZSA-N 1 1 257.337 3.306 20 30 CGEDMO CC(C)CC[C@H](O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000361268964 392273445 /nfs/dbraw/zinc/27/34/45/392273445.db2.gz YFGGQOJSJNCTNW-SFHVURJKSA-N 1 1 286.419 3.320 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)Cc1ccc(OC)nn1 ZINC000282531459 392292159 /nfs/dbraw/zinc/29/21/59/392292159.db2.gz QMYKVMVXRCPRTJ-UHFFFAOYSA-N 1 1 283.375 3.064 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1ccc(OC)nn1 ZINC000282531459 392292164 /nfs/dbraw/zinc/29/21/64/392292164.db2.gz QMYKVMVXRCPRTJ-UHFFFAOYSA-N 1 1 283.375 3.064 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1c1cccs1 ZINC000246052919 131091654 /nfs/dbraw/zinc/09/16/54/131091654.db2.gz USNUBVGJVAUQDE-OLZOCXBDSA-N 1 1 251.395 3.212 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1nc2ccccc2n1C(F)F ZINC000286162378 392377357 /nfs/dbraw/zinc/37/73/57/392377357.db2.gz OEMYEHWYUNKSPG-UHFFFAOYSA-N 1 1 277.318 3.275 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1nc2ccccc2n1C(F)F ZINC000286162378 392377362 /nfs/dbraw/zinc/37/73/62/392377362.db2.gz OEMYEHWYUNKSPG-UHFFFAOYSA-N 1 1 277.318 3.275 20 30 CGEDMO N#CCCC[N@@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000121797228 392415751 /nfs/dbraw/zinc/41/57/51/392415751.db2.gz XCJQHGBLZYZZRB-LBPRGKRZSA-N 1 1 262.378 3.089 20 30 CGEDMO COCC[N@@H+](CCCC(C)(C)C#N)Cc1ccc(C)o1 ZINC000125340094 392439548 /nfs/dbraw/zinc/43/95/48/392439548.db2.gz JZYMZSMSEMUXCN-UHFFFAOYSA-N 1 1 278.396 3.366 20 30 CGEDMO C=CCOc1cccc(C[N@H+](C)[C@H]2CCN(C)C[C@@H]2C)c1 ZINC000290579182 392450602 /nfs/dbraw/zinc/45/06/02/392450602.db2.gz UKMCVGHHTPIZJF-YJBOKZPZSA-N 1 1 288.435 3.023 20 30 CGEDMO C=CCOc1cccc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000290579182 392450628 /nfs/dbraw/zinc/45/06/28/392450628.db2.gz UKMCVGHHTPIZJF-YJBOKZPZSA-N 1 1 288.435 3.023 20 30 CGEDMO C=CCOc1cccc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000290579182 392450636 /nfs/dbraw/zinc/45/06/36/392450636.db2.gz UKMCVGHHTPIZJF-YJBOKZPZSA-N 1 1 288.435 3.023 20 30 CGEDMO CC#CCC[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000155321043 392540804 /nfs/dbraw/zinc/54/08/04/392540804.db2.gz OEFUOERGFBJMAV-QGZVFWFLSA-N 1 1 275.367 3.220 20 30 CGEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ccncc2C#N)C1 ZINC000368372990 392490252 /nfs/dbraw/zinc/49/02/52/392490252.db2.gz ACHYOOSZMRTCPG-HOTGVXAUSA-N 1 1 298.434 3.044 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)C(C)(C)COC)cc1OC ZINC000292702796 392509821 /nfs/dbraw/zinc/50/98/21/392509821.db2.gz CMHAVIHEITYRHP-UHFFFAOYSA-N 1 1 293.407 3.117 20 30 CGEDMO N#CCSCCC[N@H+]1CCCC12CCCCC2 ZINC000372277036 392596637 /nfs/dbraw/zinc/59/66/37/392596637.db2.gz DSTJVLMCVSDNTI-UHFFFAOYSA-N 1 1 252.427 3.432 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1cccnc1 ZINC000162615626 392598329 /nfs/dbraw/zinc/59/83/29/392598329.db2.gz KAZIBVFVMPOMIA-NSHDSACASA-N 1 1 271.751 3.457 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000374014439 392666780 /nfs/dbraw/zinc/66/67/80/392666780.db2.gz NXXWPFXNRROFLV-YESZJQIVSA-N 1 1 281.440 3.391 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000374406763 392677291 /nfs/dbraw/zinc/67/72/91/392677291.db2.gz QNXJVUDWQROTRO-WBVHZDCISA-N 1 1 298.430 3.346 20 30 CGEDMO Fc1ccc(C#CC[N@@H+]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000178960272 392686184 /nfs/dbraw/zinc/68/61/84/392686184.db2.gz ORAFFYQWIRDSMW-CYBMUJFWSA-N 1 1 285.284 3.452 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000178960272 392686186 /nfs/dbraw/zinc/68/61/86/392686186.db2.gz ORAFFYQWIRDSMW-CYBMUJFWSA-N 1 1 285.284 3.452 20 30 CGEDMO N#CCCC[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000174142348 392636792 /nfs/dbraw/zinc/63/67/92/392636792.db2.gz JWBJYGBHZRCGQJ-AWEZNQCLSA-N 1 1 260.406 3.404 20 30 CGEDMO Cn1cccc1[C@H]1CCC[N@H+]1CCCC(C)(C)C#N ZINC000174810777 392645747 /nfs/dbraw/zinc/64/57/47/392645747.db2.gz CZEGHGZKLFUFSW-OAHLLOKOSA-N 1 1 259.397 3.492 20 30 CGEDMO CC(C)[C@H](C)[N@@H+](Cc1cnc2ccc(C#N)cn12)C1CC1 ZINC000505259327 392653141 /nfs/dbraw/zinc/65/31/41/392653141.db2.gz GGRQWBVBVBMTKY-ZDUSSCGKSA-N 1 1 282.391 3.215 20 30 CGEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000181289960 392725429 /nfs/dbraw/zinc/72/54/29/392725429.db2.gz VRYJZAOBSIEAIF-UHFFFAOYSA-N 1 1 286.297 3.152 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000181289960 392725436 /nfs/dbraw/zinc/72/54/36/392725436.db2.gz VRYJZAOBSIEAIF-UHFFFAOYSA-N 1 1 286.297 3.152 20 30 CGEDMO C=C(C)C[N@@H+](C)CCc1nc(-c2cccc(Cl)c2)no1 ZINC000181291213 392726373 /nfs/dbraw/zinc/72/63/73/392726373.db2.gz FVBTTZSZRLFELL-UHFFFAOYSA-N 1 1 291.782 3.440 20 30 CGEDMO COCC[C@H]1CCCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000375098448 392738408 /nfs/dbraw/zinc/73/84/08/392738408.db2.gz YCMKLQREHPPVHK-CQSZACIVSA-N 1 1 290.382 3.336 20 30 CGEDMO Cc1cnc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)cn1 ZINC000505802659 392699430 /nfs/dbraw/zinc/69/94/30/392699430.db2.gz OFVBVOUTWOJMEI-UHFFFAOYSA-N 1 1 294.402 3.315 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCn2cccc2[C@H]1C ZINC000186162957 392778595 /nfs/dbraw/zinc/77/85/95/392778595.db2.gz PJFTYRDDUJXRFW-CQSZACIVSA-N 1 1 265.360 3.245 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCn2cccc2[C@H]1C ZINC000186162957 392778603 /nfs/dbraw/zinc/77/86/03/392778603.db2.gz PJFTYRDDUJXRFW-CQSZACIVSA-N 1 1 265.360 3.245 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000186120683 392778817 /nfs/dbraw/zinc/77/88/17/392778817.db2.gz HTARFPVRFNWYLY-CJNGLKHVSA-N 1 1 280.375 3.222 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000186120683 392778823 /nfs/dbraw/zinc/77/88/23/392778823.db2.gz HTARFPVRFNWYLY-CJNGLKHVSA-N 1 1 280.375 3.222 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000186120683 392778825 /nfs/dbraw/zinc/77/88/25/392778825.db2.gz HTARFPVRFNWYLY-CJNGLKHVSA-N 1 1 280.375 3.222 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCS[C@@H](C)CC1 ZINC000192178077 392840781 /nfs/dbraw/zinc/84/07/81/392840781.db2.gz ZNWWRCTYRWHGDI-ZDUSSCGKSA-N 1 1 260.406 3.194 20 30 CGEDMO CC#CC[N@@H+](CCc1ccccc1)Cc1cccnc1 ZINC000191353361 392830116 /nfs/dbraw/zinc/83/01/16/392830116.db2.gz GMINPLADQKAHEC-UHFFFAOYSA-N 1 1 264.372 3.150 20 30 CGEDMO FC(F)(F)[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000191869651 392834737 /nfs/dbraw/zinc/83/47/37/392834737.db2.gz ODPMJZYKKKBBOM-CQSZACIVSA-N 1 1 267.294 3.312 20 30 CGEDMO FC(F)(F)[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000191869651 392834746 /nfs/dbraw/zinc/83/47/46/392834746.db2.gz ODPMJZYKKKBBOM-CQSZACIVSA-N 1 1 267.294 3.312 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+](CC(C)C)C1CCCC1 ZINC000519909054 392901810 /nfs/dbraw/zinc/90/18/10/392901810.db2.gz FRKWWXXUSRDIEZ-UHFFFAOYSA-N 1 1 280.456 3.312 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+](C)Cc1cn2c(n1)CCCC2 ZINC000375939759 392845237 /nfs/dbraw/zinc/84/52/37/392845237.db2.gz BOQFRWVBMSEYGX-CQSZACIVSA-N 1 1 294.402 3.284 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1cn2c(n1)CCCC2 ZINC000375939759 392845245 /nfs/dbraw/zinc/84/52/45/392845245.db2.gz BOQFRWVBMSEYGX-CQSZACIVSA-N 1 1 294.402 3.284 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cc(C(=O)OC)c(CC)o1 ZINC000338947924 392937973 /nfs/dbraw/zinc/93/79/73/392937973.db2.gz JLHMHRNGZQPCOG-UHFFFAOYSA-N 1 1 265.353 3.027 20 30 CGEDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459358641 392941386 /nfs/dbraw/zinc/94/13/86/392941386.db2.gz MXWTWWWSPIHSOP-YPMHNXCESA-N 1 1 273.336 3.087 20 30 CGEDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459358640 392941959 /nfs/dbraw/zinc/94/19/59/392941959.db2.gz MXWTWWWSPIHSOP-WCQYABFASA-N 1 1 273.336 3.087 20 30 CGEDMO Cc1cc(C[NH2+][C@@H](C)c2ncccc2F)ccc1C#N ZINC000527827542 392960187 /nfs/dbraw/zinc/96/01/87/392960187.db2.gz FEECGKMYCPRLIL-LBPRGKRZSA-N 1 1 269.323 3.252 20 30 CGEDMO C[C@@H](CCC#N)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000411800942 392988930 /nfs/dbraw/zinc/98/89/30/392988930.db2.gz ZQLUJJAQIAGRKK-IRXDYDNUSA-N 1 1 285.435 3.133 20 30 CGEDMO C[C@@H](CCC#N)[N@@H+]1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000411800942 392988934 /nfs/dbraw/zinc/98/89/34/392988934.db2.gz ZQLUJJAQIAGRKK-IRXDYDNUSA-N 1 1 285.435 3.133 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000411800942 392988936 /nfs/dbraw/zinc/98/89/36/392988936.db2.gz ZQLUJJAQIAGRKK-IRXDYDNUSA-N 1 1 285.435 3.133 20 30 CGEDMO CC(C)[N@H+](Cc1cn2ccccc2c1C#N)CC1CC1 ZINC000533358706 392996778 /nfs/dbraw/zinc/99/67/78/392996778.db2.gz PFMZSSKZELWHOU-UHFFFAOYSA-N 1 1 267.376 3.431 20 30 CGEDMO C=CC[NH+](CC=C)[C@@H](C)C(=O)N(CC)Cc1ccccc1 ZINC000342857906 393011388 /nfs/dbraw/zinc/01/13/88/393011388.db2.gz NTDSAWNTQQPJNW-INIZCTEOSA-N 1 1 286.419 3.098 20 30 CGEDMO CCN(CC1(C#N)CC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000343319305 393026485 /nfs/dbraw/zinc/02/64/85/393026485.db2.gz ZLIAVBVVVGMVKY-WMZOPIPTSA-N 1 1 297.446 3.448 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000245985215 393050096 /nfs/dbraw/zinc/05/00/96/393050096.db2.gz DXBCEDQAUNLGEK-RHSMWYFYSA-N 1 1 272.392 3.268 20 30 CGEDMO CC/C=C/CC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000466813757 393059146 /nfs/dbraw/zinc/05/91/46/393059146.db2.gz FOQSJGKFZWJIBX-ONEGZZNKSA-N 1 1 283.419 3.427 20 30 CGEDMO N#CC1(F)CC[NH+](Cc2cc3cc(F)ccc3o2)CC1 ZINC000348712142 393128638 /nfs/dbraw/zinc/12/86/38/393128638.db2.gz SZVKVCLCKOCYPZ-UHFFFAOYSA-N 1 1 276.286 3.400 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@]2(C)CCCO)cc1 ZINC000349192747 393140737 /nfs/dbraw/zinc/14/07/37/393140737.db2.gz PHXGKDZVQFHAJZ-SFHVURJKSA-N 1 1 289.419 3.378 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000589823063 393206302 /nfs/dbraw/zinc/20/63/02/393206302.db2.gz XZAODFUPTSSFOW-IJEWVQPXSA-N 1 1 257.381 3.404 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000356063193 393354655 /nfs/dbraw/zinc/35/46/55/393354655.db2.gz MDUJZOCEYMUOSD-UHFFFAOYSA-N 1 1 298.308 3.188 20 30 CGEDMO CC(C)(C)[C@@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000356340651 393423098 /nfs/dbraw/zinc/42/30/98/393423098.db2.gz PAOMIKVFIWHMNH-LLVKDONJSA-N 1 1 263.410 3.273 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2F)[C@H]1C1CC1 ZINC000356290298 393409638 /nfs/dbraw/zinc/40/96/38/393409638.db2.gz HFQWKUVTQANRRT-HNNXBMFYSA-N 1 1 258.340 3.318 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cn1 ZINC000442678195 393738355 /nfs/dbraw/zinc/73/83/55/393738355.db2.gz DBOIDUDSQVJUKB-CYBMUJFWSA-N 1 1 281.359 3.155 20 30 CGEDMO COC(=O)c1ccc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)o1 ZINC000442679713 393738814 /nfs/dbraw/zinc/73/88/14/393738814.db2.gz PPHHJIDSIZDVJH-LBPRGKRZSA-N 1 1 298.342 3.131 20 30 CGEDMO COC(=O)c1ccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)o1 ZINC000442679713 393738816 /nfs/dbraw/zinc/73/88/16/393738816.db2.gz PPHHJIDSIZDVJH-LBPRGKRZSA-N 1 1 298.342 3.131 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCC(C)(C)C#N ZINC000425533145 393697783 /nfs/dbraw/zinc/69/77/83/393697783.db2.gz KLIHZFRUEKNFEL-ZDUSSCGKSA-N 1 1 255.365 3.491 20 30 CGEDMO Cc1cc(CNCC(C)(C)C[NH+]2CCCC2)ccc1C#N ZINC000443999093 393781973 /nfs/dbraw/zinc/78/19/73/393781973.db2.gz SRIYMQHFTVONBF-UHFFFAOYSA-N 1 1 285.435 3.078 20 30 CGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCCC(C)(C)C1 ZINC000446082889 393847935 /nfs/dbraw/zinc/84/79/35/393847935.db2.gz ZDIPQEDOZNGRBA-CQSZACIVSA-N 1 1 299.418 3.397 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C(C)C)C1 ZINC000501235244 393849379 /nfs/dbraw/zinc/84/93/79/393849379.db2.gz CIOQMWUWCDEEBO-CQSZACIVSA-N 1 1 258.365 3.045 20 30 CGEDMO N#CCC[NH2+]CCOCc1ccc(Cl)cc1Cl ZINC000575116849 335068085 /nfs/dbraw/zinc/06/80/85/335068085.db2.gz QFBKJRWCDRSDPV-UHFFFAOYSA-N 1 1 273.163 3.013 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000575119873 335068785 /nfs/dbraw/zinc/06/87/85/335068785.db2.gz ZVUGTVBWHQLFHS-HNNXBMFYSA-N 1 1 257.381 3.201 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2cnc(C3CC3)nc2)C1 ZINC000668494383 543020364 /nfs/dbraw/zinc/02/03/64/543020364.db2.gz YMMBFDXBACUZDQ-CYBMUJFWSA-N 1 1 257.381 3.142 20 30 CGEDMO C#CCC[NH+]1CCN(C(=O)[C@H](CC)CCCCCC)CC1 ZINC000735039726 572696278 /nfs/dbraw/zinc/69/62/78/572696278.db2.gz LAEHWFGSMOVZBI-QGZVFWFLSA-N 1 1 292.467 3.151 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CCC[C@H](c2ccc(CC)cc2)C1 ZINC000671733000 543183210 /nfs/dbraw/zinc/18/32/10/543183210.db2.gz RTLFONKSVWXLGB-ZWKOTPCHSA-N 1 1 273.420 3.365 20 30 CGEDMO C=CCN1CCC([NH2+][C@H](C)c2nc(C)sc2C)CC1 ZINC000676490255 543399560 /nfs/dbraw/zinc/39/95/60/543399560.db2.gz PBRYLUJQUWCAKU-LLVKDONJSA-N 1 1 279.453 3.061 20 30 CGEDMO C[C@@H]1COCCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000676712613 543412538 /nfs/dbraw/zinc/41/25/38/543412538.db2.gz BBPXWQSECDQEMA-CYBMUJFWSA-N 1 1 297.320 3.168 20 30 CGEDMO C[C@@H]1COCCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000676712613 543412542 /nfs/dbraw/zinc/41/25/42/543412542.db2.gz BBPXWQSECDQEMA-CYBMUJFWSA-N 1 1 297.320 3.168 20 30 CGEDMO CC(C)(C)C[N@H+](CC#Cc1cccc(Cl)c1)CCO ZINC000676559018 543404630 /nfs/dbraw/zinc/40/46/30/543404630.db2.gz WLWDNPPJNVPABH-UHFFFAOYSA-N 1 1 279.811 3.032 20 30 CGEDMO COCC#CC[N@@H+](C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000677820530 543467898 /nfs/dbraw/zinc/46/78/98/543467898.db2.gz QKFZISSTMPLPET-KBPBESRZSA-N 1 1 279.811 3.414 20 30 CGEDMO COCC#CC[N@@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000677818795 543468304 /nfs/dbraw/zinc/46/83/04/543468304.db2.gz IRSIZLBLJNZNGO-GOSISDBHSA-N 1 1 269.388 3.178 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000678049324 543479267 /nfs/dbraw/zinc/47/92/67/543479267.db2.gz HQTLFRARYNCARZ-UKRRQHHQSA-N 1 1 265.784 3.066 20 30 CGEDMO CCCC[N@H+](C)C[C@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000554743182 289307488 /nfs/dbraw/zinc/30/74/88/289307488.db2.gz YKAMHGGMNKLIRN-LSDHHAIUSA-N 1 1 273.424 3.329 20 30 CGEDMO CCCC[N@@H+](C)C[C@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000554743182 289307491 /nfs/dbraw/zinc/30/74/91/289307491.db2.gz YKAMHGGMNKLIRN-LSDHHAIUSA-N 1 1 273.424 3.329 20 30 CGEDMO C[C@@H]1C[NH+](Cc2ccc(C#N)cc2F)C[C@@H](C)S1 ZINC000070383225 286989143 /nfs/dbraw/zinc/98/91/43/286989143.db2.gz GCKILWXHHJUJFI-GHMZBOCLSA-N 1 1 264.369 3.023 20 30 CGEDMO C[C@@H]([NH2+][C@@H](C)c1nccs1)c1cccc(C#N)c1 ZINC000080266764 287064265 /nfs/dbraw/zinc/06/42/65/287064265.db2.gz UDXWHTPIVYNGKU-MNOVXSKESA-N 1 1 257.362 3.427 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c(F)c1 ZINC000087771047 165188951 /nfs/dbraw/zinc/18/89/51/165188951.db2.gz ABOUZQXZUKPVFP-BBRMVZONSA-N 1 1 258.340 3.462 20 30 CGEDMO CCCN(CC[C@H]1CCC[N@@H+]1C)Cc1ccc(C#N)cc1 ZINC000089425268 165204924 /nfs/dbraw/zinc/20/49/24/165204924.db2.gz KHMRGWXHIFQNAE-GOSISDBHSA-N 1 1 285.435 3.255 20 30 CGEDMO CCCN(CC[C@H]1CCC[N@H+]1C)Cc1ccc(C#N)cc1 ZINC000089425268 165204925 /nfs/dbraw/zinc/20/49/25/165204925.db2.gz KHMRGWXHIFQNAE-GOSISDBHSA-N 1 1 285.435 3.255 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@@H](c3nccs3)C2)c1 ZINC000092788931 287113276 /nfs/dbraw/zinc/11/32/76/287113276.db2.gz VNNCLPSXPACIDT-GFCCVEGCSA-N 1 1 289.429 3.456 20 30 CGEDMO CC(C)[C@H]1CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000093440652 287116454 /nfs/dbraw/zinc/11/64/54/287116454.db2.gz VTQDCRDQFKJTHT-INIZCTEOSA-N 1 1 296.418 3.464 20 30 CGEDMO C[N@@H+](CCOc1ccccc1C#N)CCc1cccs1 ZINC000113552631 287147895 /nfs/dbraw/zinc/14/78/95/287147895.db2.gz BHWHZCAKXOCOKQ-UHFFFAOYSA-N 1 1 286.400 3.173 20 30 CGEDMO CC[C@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000030143045 171613349 /nfs/dbraw/zinc/61/33/49/171613349.db2.gz SYLLXWNHWZSXAC-LBPRGKRZSA-N 1 1 291.420 3.070 20 30 CGEDMO CSCC[C@@H](C)[N@@H+](C)CCOc1ccccc1C#N ZINC000126467607 287265573 /nfs/dbraw/zinc/26/55/73/287265573.db2.gz VWWMYOMIZNHBNH-CYBMUJFWSA-N 1 1 278.421 3.010 20 30 CGEDMO CC[NH+](CC)CC(=O)Nc1nnc(-c2ccccc2)s1 ZINC000039745543 174172528 /nfs/dbraw/zinc/17/25/28/174172528.db2.gz MLWCDVDFEOJZSZ-UHFFFAOYSA-N 1 1 290.392 3.135 20 30 CGEDMO C=CCOCC[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000680349839 543702209 /nfs/dbraw/zinc/70/22/09/543702209.db2.gz RIFXTPNZWIJPBX-KRWDZBQOSA-N 1 1 286.350 3.102 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+](C)Cc1ccc(OC)nc1 ZINC000680480826 543714810 /nfs/dbraw/zinc/71/48/10/543714810.db2.gz PAENABNKRBIFEK-UHFFFAOYSA-N 1 1 298.386 3.287 20 30 CGEDMO C=CCOc1ccccc1C[N@H+](C)Cc1ccc(OC)nc1 ZINC000680480826 543714813 /nfs/dbraw/zinc/71/48/13/543714813.db2.gz PAENABNKRBIFEK-UHFFFAOYSA-N 1 1 298.386 3.287 20 30 CGEDMO N#Cc1csc(C[NH2+]Cc2nc(C3CC3)cs2)c1 ZINC000131161713 287372076 /nfs/dbraw/zinc/37/20/76/287372076.db2.gz YJPLVKSZKKOTJX-UHFFFAOYSA-N 1 1 275.402 3.243 20 30 CGEDMO CC(=O)Nc1ccccc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000131200273 287373219 /nfs/dbraw/zinc/37/32/19/287373219.db2.gz HEVJUDCAOLTWCY-UHFFFAOYSA-N 1 1 293.370 3.149 20 30 CGEDMO Cc1c([C@@H](C)[NH2+]CC2(C#N)CC2)cnn1-c1ccc(F)cc1 ZINC000347651616 226226531 /nfs/dbraw/zinc/22/65/31/226226531.db2.gz LMTLEJBHEAYOJH-GFCCVEGCSA-N 1 1 298.365 3.274 20 30 CGEDMO N#CC1(C[NH2+]Cc2cnc(-c3cccs3)s2)CC1 ZINC000575195224 335079213 /nfs/dbraw/zinc/07/92/13/335079213.db2.gz KYMPRYAWPDGJOG-UHFFFAOYSA-N 1 1 275.402 3.265 20 30 CGEDMO C=C(C)C[NH+]1CC(C)(c2nnc(-c3cccc(F)c3)o2)C1 ZINC000664940625 419028550 /nfs/dbraw/zinc/02/85/50/419028550.db2.gz RVKATVBVCQZGGK-UHFFFAOYSA-N 1 1 287.338 3.025 20 30 CGEDMO C=CCCn1cc(C[N@H+]2CCCC3(CCCCC3)C2)nn1 ZINC000653555667 419046892 /nfs/dbraw/zinc/04/68/92/419046892.db2.gz OEWQRSIWLFXOPJ-UHFFFAOYSA-N 1 1 288.439 3.401 20 30 CGEDMO C=C(C)C[N@H+](C)CCSc1cccc(OC)c1 ZINC000660221736 419104894 /nfs/dbraw/zinc/10/48/94/419104894.db2.gz RBKBNKWHMIVFJO-UHFFFAOYSA-N 1 1 251.395 3.295 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CCC[C@H](CC(C)C)C2)nn1 ZINC000653568876 419052153 /nfs/dbraw/zinc/05/21/53/419052153.db2.gz PWRYVFXQMLHEBW-OAHLLOKOSA-N 1 1 276.428 3.112 20 30 CGEDMO C=CC[C@@H]1[N@@H+](C[C@H](OC)[C@H]2CCOC2)CCCC1(C)C ZINC000660423760 419142038 /nfs/dbraw/zinc/14/20/38/419142038.db2.gz VWVDIBKQOIGLTP-JYJNAYRXSA-N 1 1 281.440 3.105 20 30 CGEDMO C=CCC[N@@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000660661155 419178933 /nfs/dbraw/zinc/17/89/33/419178933.db2.gz GNNUBXUWTJDGSP-UHFFFAOYSA-N 1 1 266.335 3.053 20 30 CGEDMO C=CC[N@H+](CCc1ccc(F)c(F)c1)[C@@H](C)COC ZINC000661244720 419244251 /nfs/dbraw/zinc/24/42/51/419244251.db2.gz XQYJRZFKTCIDHI-LBPRGKRZSA-N 1 1 269.335 3.030 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cc(OC)cc(C)n2)C1 ZINC000661381923 419255891 /nfs/dbraw/zinc/25/58/91/419255891.db2.gz QDLCZIIAYQSYFJ-CQSZACIVSA-N 1 1 260.381 3.187 20 30 CGEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2c2c(C)cccc2C)C1=O ZINC000661135428 419234105 /nfs/dbraw/zinc/23/41/05/419234105.db2.gz BVPSLJRZAHJQLH-IAGOWNOFSA-N 1 1 298.430 3.227 20 30 CGEDMO C=C(C)COc1cccc(NCc2c[nH+]c3n2CCC3)c1 ZINC000657409675 419272924 /nfs/dbraw/zinc/27/29/24/419272924.db2.gz RSYRSQTZMFIHQQ-UHFFFAOYSA-N 1 1 283.375 3.396 20 30 CGEDMO C=CCCn1cc(C[NH2+]Cc2ccc(C3CC3)cc2)nn1 ZINC000657446139 419280217 /nfs/dbraw/zinc/28/02/17/419280217.db2.gz BDHYGNMXNRXYTO-UHFFFAOYSA-N 1 1 282.391 3.021 20 30 CGEDMO C=CC[N@@H+](CC(=O)NCc1cccc(Cl)c1)C(C)(C)C ZINC000661755445 419294718 /nfs/dbraw/zinc/29/47/18/419294718.db2.gz QWEMOHGDPOEECP-UHFFFAOYSA-N 1 1 294.826 3.243 20 30 CGEDMO C=CC[N@H+](CC(=O)N(C)Cc1ccccc1F)C(C)(C)C ZINC000661755027 419294751 /nfs/dbraw/zinc/29/47/51/419294751.db2.gz GRZMQVFJGJAHGI-UHFFFAOYSA-N 1 1 292.398 3.071 20 30 CGEDMO C=CC[N@H+](CC(=O)N1CCCC[C@H]1CC)C(C)(C)C ZINC000661755223 419295187 /nfs/dbraw/zinc/29/51/87/419295187.db2.gz JNPOJVOCSVWDDJ-CQSZACIVSA-N 1 1 266.429 3.064 20 30 CGEDMO N#Cc1cccc(C[NH+]2CCC3(CCCC3=O)CC2)c1F ZINC000661957400 419315051 /nfs/dbraw/zinc/31/50/51/419315051.db2.gz GGYAKSOWXIUQFN-UHFFFAOYSA-N 1 1 286.350 3.033 20 30 CGEDMO Cc1noc([C@H]2CCCC[N@@H+]2CCCC(C)(C)C#N)n1 ZINC000353549306 228119083 /nfs/dbraw/zinc/11/90/83/228119083.db2.gz JQKDSZJDETVMIR-CYBMUJFWSA-N 1 1 276.384 3.235 20 30 CGEDMO Cc1noc([C@H]2CCCC[N@H+]2CCCC(C)(C)C#N)n1 ZINC000353549306 228119085 /nfs/dbraw/zinc/11/90/85/228119085.db2.gz JQKDSZJDETVMIR-CYBMUJFWSA-N 1 1 276.384 3.235 20 30 CGEDMO COc1ccc(C)nc1NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000330286595 228093430 /nfs/dbraw/zinc/09/34/30/228093430.db2.gz BRCZFWOOCQDSNM-CYBMUJFWSA-N 1 1 291.395 3.251 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)NCc1ccc(C)cc1 ZINC000662081638 419333650 /nfs/dbraw/zinc/33/36/50/419333650.db2.gz PUJVJCNPGMPRMU-NXHRZFHOSA-N 1 1 298.430 3.183 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C1CC1)C1CCCC1 ZINC000662083593 419334519 /nfs/dbraw/zinc/33/45/19/419334519.db2.gz GVVAJXHVFHBDCC-CALCHBBNSA-N 1 1 288.435 3.103 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCN1C[C@H](C)C[C@@H](C)C1 ZINC000662088559 419334592 /nfs/dbraw/zinc/33/45/92/419334592.db2.gz JFUNDPZVYCVUBU-VQHPVUNQSA-N 1 1 262.441 3.147 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN1C[C@H](C)C[C@@H](C)C1 ZINC000662088559 419334595 /nfs/dbraw/zinc/33/45/95/419334595.db2.gz JFUNDPZVYCVUBU-VQHPVUNQSA-N 1 1 262.441 3.147 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCOc2ccc(O)cc2C1 ZINC000662095823 419335895 /nfs/dbraw/zinc/33/58/95/419335895.db2.gz IJYJGAKGAIISLS-CYBMUJFWSA-N 1 1 261.365 3.331 20 30 CGEDMO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000657835867 419378461 /nfs/dbraw/zinc/37/84/61/419378461.db2.gz RNEYCSXAYSTWSD-BFYDXBDKSA-N 1 1 262.441 3.195 20 30 CGEDMO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCN(CC)C1 ZINC000657841951 419382623 /nfs/dbraw/zinc/38/26/23/419382623.db2.gz RRJQDROTZYKUPF-BZUAXINKSA-N 1 1 250.430 3.053 20 30 CGEDMO C=C[C@@H]1OCC[C@H]1Nc1cc(C(F)(F)F)cc(C)[nH+]1 ZINC000663969026 419779395 /nfs/dbraw/zinc/77/93/95/419779395.db2.gz NDEAYMYYCBEGSY-MNOVXSKESA-N 1 1 272.270 3.164 20 30 CGEDMO C#CCC[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000299235438 260175473 /nfs/dbraw/zinc/17/54/73/260175473.db2.gz SBOMKOBAANIUPM-ZDUSSCGKSA-N 1 1 256.374 3.457 20 30 CGEDMO C[N@@H+](CCCC(C)(C)C#N)Cc1cccc(C#N)c1 ZINC000087598776 260215505 /nfs/dbraw/zinc/21/55/05/260215505.db2.gz GNSVWPUSYUULHK-UHFFFAOYSA-N 1 1 255.365 3.320 20 30 CGEDMO C#C[C@@H](CC)[NH2+]Cc1cscc1Br ZINC000308129112 260277206 /nfs/dbraw/zinc/27/72/06/260277206.db2.gz BANNPXNAWBUJLB-VIFPVBQESA-N 1 1 258.184 3.012 20 30 CGEDMO C[C@H]1CCC[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000072874911 260278985 /nfs/dbraw/zinc/27/89/85/260278985.db2.gz CAQDLMDQSWAHLV-AWEZNQCLSA-N 1 1 295.386 3.222 20 30 CGEDMO COc1c(C)c[nH+]c(CN(CCC#N)Cc2ccco2)c1C ZINC000081518012 260333936 /nfs/dbraw/zinc/33/39/36/260333936.db2.gz MOXXEYHFUMYJPV-UHFFFAOYSA-N 1 1 299.374 3.216 20 30 CGEDMO C#CC[N@H+](CCCCn1ccnc1C)Cc1ccccc1 ZINC000491210334 261372342 /nfs/dbraw/zinc/37/23/42/261372342.db2.gz SKVGHTQFXGTDTK-UHFFFAOYSA-N 1 1 281.403 3.107 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000181921390 261915458 /nfs/dbraw/zinc/91/54/58/261915458.db2.gz BRRGYDRYDPFVMJ-KRWDZBQOSA-N 1 1 286.419 3.260 20 30 CGEDMO CC[C@@H](CC#N)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000184088908 262007779 /nfs/dbraw/zinc/00/77/79/262007779.db2.gz DVBORSGEXKXQMJ-CADBVGFASA-N 1 1 297.446 3.179 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000497196409 262098821 /nfs/dbraw/zinc/09/88/21/262098821.db2.gz ABGBLSKFWMGROL-DOTOQJQBSA-N 1 1 289.419 3.234 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000494956881 262273713 /nfs/dbraw/zinc/27/37/13/262273713.db2.gz URTZWKQIYQCVIU-KBPBESRZSA-N 1 1 282.428 3.188 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)C[C@H](O)CC(F)(F)F ZINC000188592457 262322267 /nfs/dbraw/zinc/32/22/67/262322267.db2.gz ZCZOKJZFEFTHCK-SNVBAGLBSA-N 1 1 279.327 3.049 20 30 CGEDMO C[C@@H](C#N)C[N@H+](Cc1cccc2cc[nH]c21)C1CC1 ZINC000354045786 262357460 /nfs/dbraw/zinc/35/74/60/262357460.db2.gz ZWUMREHTDOLHNQ-LBPRGKRZSA-N 1 1 253.349 3.292 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](Cc1cccc2cc[nH]c21)C1CC1 ZINC000354045786 262357461 /nfs/dbraw/zinc/35/74/61/262357461.db2.gz ZWUMREHTDOLHNQ-LBPRGKRZSA-N 1 1 253.349 3.292 20 30 CGEDMO C[C@@H]1[N@@H+](CCCCC(C)(C)C#N)CCOC1(C)C ZINC000336784807 262394983 /nfs/dbraw/zinc/39/49/83/262394983.db2.gz XVRYDMRDKQBAMR-ZDUSSCGKSA-N 1 1 252.402 3.206 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H]1CCCOC1 ZINC000336839143 262399602 /nfs/dbraw/zinc/39/96/02/262399602.db2.gz SMTKXTUFTKEJDE-NXHRZFHOSA-N 1 1 284.403 3.185 20 30 CGEDMO C=CCOCC[N@H+]1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000339061460 262590983 /nfs/dbraw/zinc/59/09/83/262590983.db2.gz KSLQFMJPUSZWQO-STQMWFEESA-N 1 1 263.356 3.336 20 30 CGEDMO N#CC1(CC[N@H+]2CCc3ccccc3[C@@H]2CO)CCCCC1 ZINC000411392497 262692046 /nfs/dbraw/zinc/69/20/46/262692046.db2.gz PYYZRENFODLDEF-SFHVURJKSA-N 1 1 298.430 3.442 20 30 CGEDMO CC1(C#N)CC[NH+](Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000272593997 263007220 /nfs/dbraw/zinc/00/72/20/263007220.db2.gz PWSRFESUQALZGK-UHFFFAOYSA-N 1 1 294.402 3.057 20 30 CGEDMO C[N@@H+](Cc1ccc(OC(F)F)cc1)[C@H]1CC[C@H](C#N)C1 ZINC000278748623 263050522 /nfs/dbraw/zinc/05/05/22/263050522.db2.gz WVRYJHSKZMSOIQ-STQMWFEESA-N 1 1 280.318 3.412 20 30 CGEDMO CC1(C#N)CC[NH+](Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000278873563 263051545 /nfs/dbraw/zinc/05/15/45/263051545.db2.gz SUBACIMOEZWRPK-UHFFFAOYSA-N 1 1 283.297 3.226 20 30 CGEDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000279313545 263054643 /nfs/dbraw/zinc/05/46/43/263054643.db2.gz NKRCYLFMSHMHIF-SFHVURJKSA-N 1 1 286.419 3.489 20 30 CGEDMO CC1=C(C)C[N@@H+](Cc2ccc(OCC#N)cc2)CC1 ZINC000280730294 263064053 /nfs/dbraw/zinc/06/40/53/263064053.db2.gz LEDQHRHQIFEFRQ-UHFFFAOYSA-N 1 1 256.349 3.131 20 30 CGEDMO C[C@@H](c1ccco1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000282076569 263074289 /nfs/dbraw/zinc/07/42/89/263074289.db2.gz TZRVALTYWGOWAE-AWEZNQCLSA-N 1 1 276.380 3.373 20 30 CGEDMO C[C@H](Cc1ccccc1C(F)(F)F)[N@H+](C)CCC#N ZINC000287180339 263101248 /nfs/dbraw/zinc/10/12/48/263101248.db2.gz CMIHGQOHXXSOSV-LLVKDONJSA-N 1 1 270.298 3.482 20 30 CGEDMO C[C@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)CCC#N ZINC000287180339 263101249 /nfs/dbraw/zinc/10/12/49/263101249.db2.gz CMIHGQOHXXSOSV-LLVKDONJSA-N 1 1 270.298 3.482 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000288735309 263105671 /nfs/dbraw/zinc/10/56/71/263105671.db2.gz FGDWJAQLHKLOCM-UHFFFAOYSA-N 1 1 286.375 3.190 20 30 CGEDMO C[C@H](c1ccccc1)[N@@H+](CCOCCC#N)C1CC1 ZINC000292723105 263134550 /nfs/dbraw/zinc/13/45/50/263134550.db2.gz FZHKGKMEZLZWQV-CQSZACIVSA-N 1 1 258.365 3.142 20 30 CGEDMO N#C[C@H]1CC[C@H]([N@@H+]2CCc3[nH]c4ccccc4c3C2)C1 ZINC000292879240 263135956 /nfs/dbraw/zinc/13/59/56/263135956.db2.gz TYYNYXQIRNWEFN-STQMWFEESA-N 1 1 265.360 3.218 20 30 CGEDMO N#C[C@H]1CC[C@H]([N@H+]2CCc3[nH]c4ccccc4c3C2)C1 ZINC000292879240 263135957 /nfs/dbraw/zinc/13/59/57/263135957.db2.gz TYYNYXQIRNWEFN-STQMWFEESA-N 1 1 265.360 3.218 20 30 CGEDMO Cc1nocc1C[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000293207878 263138651 /nfs/dbraw/zinc/13/86/51/263138651.db2.gz JCAQERYWXBSWMQ-HNNXBMFYSA-N 1 1 255.321 3.118 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@H](c3cccc(F)c3)C2)C1 ZINC000293229357 263138656 /nfs/dbraw/zinc/13/86/56/263138656.db2.gz VWOVECYTQBBSMK-INWMFGNUSA-N 1 1 258.340 3.307 20 30 CGEDMO CC1(C)C[N@H+]([C@@H]2CC[C@H](C#N)C2)Cc2ccccc2O1 ZINC000293539327 263142804 /nfs/dbraw/zinc/14/28/04/263142804.db2.gz KBRBWKDCBLWFBK-DZGCQCFKSA-N 1 1 270.376 3.352 20 30 CGEDMO C[N@@H+](CCCOCc1ccccc1)[C@@H]1CC[C@H](C#N)C1 ZINC000293683466 263146874 /nfs/dbraw/zinc/14/68/74/263146874.db2.gz AQQMXHFXZHUEBD-DLBZAZTESA-N 1 1 272.392 3.217 20 30 CGEDMO N#CCCOCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000293995211 263153833 /nfs/dbraw/zinc/15/38/33/263153833.db2.gz FSRVEPCYGRMGRD-BCDXTJNWSA-N 1 1 284.403 3.327 20 30 CGEDMO CC[C@H](C[N@@H+](CC)CCOCCC#N)c1ccccc1 ZINC000294539887 263163572 /nfs/dbraw/zinc/16/35/72/263163572.db2.gz KHJRTCWGEVCLPE-MRXNPFEDSA-N 1 1 274.408 3.432 20 30 CGEDMO C[C@@H](C[N@@H+](C)[C@@H](C)CC#N)c1cc(F)cc(F)c1 ZINC000294779037 263167457 /nfs/dbraw/zinc/16/74/57/263167457.db2.gz JZBIBCIDFLOQEC-QWRGUYRKSA-N 1 1 252.308 3.302 20 30 CGEDMO C[C@@H](C[N@H+](C)[C@@H](C)CC#N)c1cc(F)cc(F)c1 ZINC000294779037 263167458 /nfs/dbraw/zinc/16/74/58/263167458.db2.gz JZBIBCIDFLOQEC-QWRGUYRKSA-N 1 1 252.308 3.302 20 30 CGEDMO CC[N@@H+](Cc1ccc(OC)cc1OC)[C@@H](C)CCC#N ZINC000298140898 263215534 /nfs/dbraw/zinc/21/55/34/263215534.db2.gz ODPZRYCNDJDQAR-ZDUSSCGKSA-N 1 1 276.380 3.218 20 30 CGEDMO C[C@@H](CCC#N)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000298525055 263221555 /nfs/dbraw/zinc/22/15/55/263221555.db2.gz LULKDWIZINWVGD-HNNXBMFYSA-N 1 1 294.402 3.049 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000298553578 263221677 /nfs/dbraw/zinc/22/16/77/263221677.db2.gz YWZSLVWQGQGSBZ-WFASDCNBSA-N 1 1 278.783 3.485 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000299201814 263235002 /nfs/dbraw/zinc/23/50/02/263235002.db2.gz GGTHIISDFJBJTM-DOTOQJQBSA-N 1 1 272.392 3.217 20 30 CGEDMO COC[C@H]1CCCC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000342568640 263449287 /nfs/dbraw/zinc/44/92/87/263449287.db2.gz LOGWIGMPUYLRKL-KRWDZBQOSA-N 1 1 272.392 3.001 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](CO)[C@@H]2C)cc1Cl ZINC000425962741 264228300 /nfs/dbraw/zinc/22/83/00/264228300.db2.gz JBZWPDLLGASGSR-GXTWGEPZSA-N 1 1 295.810 3.108 20 30 CGEDMO CO[C@H](C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1)C1CC1 ZINC000425422924 264312591 /nfs/dbraw/zinc/31/25/91/264312591.db2.gz SVKZSINZDMAFLA-FGTMMUONSA-N 1 1 284.403 3.183 20 30 CGEDMO Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CC1(C#N)CC1 ZINC000343279881 264333039 /nfs/dbraw/zinc/33/30/39/264333039.db2.gz PMCKPQWSWXONMD-HNNXBMFYSA-N 1 1 294.402 3.113 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000076801865 264343749 /nfs/dbraw/zinc/34/37/49/264343749.db2.gz ZFTRXKCGMOKVRB-HUUCEWRRSA-N 1 1 274.408 3.150 20 30 CGEDMO O[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C12CCCC2 ZINC000292611144 264882049 /nfs/dbraw/zinc/88/20/49/264882049.db2.gz FIIUZENZZZRHRL-INIZCTEOSA-N 1 1 289.806 3.071 20 30 CGEDMO N#CCCC[C@H]([NH3+])c1nc(-c2ccc(Cl)cc2)no1 ZINC000519139641 265329263 /nfs/dbraw/zinc/32/92/63/265329263.db2.gz BWIMOCZIFJNIIK-NSHDSACASA-N 1 1 276.727 3.084 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CC[C@H](C#N)C1 ZINC000297775787 266050933 /nfs/dbraw/zinc/05/09/33/266050933.db2.gz GJAIQYKYAWUTRC-IRXDYDNUSA-N 1 1 267.376 3.463 20 30 CGEDMO C[C@@H](C1CCC1)[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000357046869 266238628 /nfs/dbraw/zinc/23/86/28/266238628.db2.gz YHWNGKGEBYPGHP-HNNXBMFYSA-N 1 1 299.418 3.054 20 30 CGEDMO C=CC[N@H+](Cc1ccc(Oc2ccccc2)nn1)C1CC1 ZINC000357551408 266321131 /nfs/dbraw/zinc/32/11/31/266321131.db2.gz IJDVVBBHXVDBKK-UHFFFAOYSA-N 1 1 281.359 3.419 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Oc2ccccc2)nn1)C1CC1 ZINC000357551408 266321134 /nfs/dbraw/zinc/32/11/34/266321134.db2.gz IJDVVBBHXVDBKK-UHFFFAOYSA-N 1 1 281.359 3.419 20 30 CGEDMO C=CC[N@H+](Cc1cc(Cl)ccc1OC)C1CC1 ZINC000357558117 266325458 /nfs/dbraw/zinc/32/54/58/266325458.db2.gz ZXTKSRBGPDXAJD-UHFFFAOYSA-N 1 1 251.757 3.499 20 30 CGEDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1cc(C#N)ccc1OC ZINC000399742142 266385303 /nfs/dbraw/zinc/38/53/03/266385303.db2.gz JJRKYACRWMRNDG-IUODEOHRSA-N 1 1 258.365 3.187 20 30 CGEDMO COc1cc(C[N@H+]2C[C@H](C)[C@H](C)[C@@H]2C)ccc1C#N ZINC000399660013 266814584 /nfs/dbraw/zinc/81/45/84/266814584.db2.gz KZNGYCPBTIACNC-AVGNSLFASA-N 1 1 258.365 3.043 20 30 CGEDMO C=CC[NH+]1CCC(NCc2cc(F)cc(Cl)c2)CC1 ZINC000362526896 267001072 /nfs/dbraw/zinc/00/10/72/267001072.db2.gz WKBOYDJQJJIHSY-UHFFFAOYSA-N 1 1 282.790 3.219 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CC[C@H](Cc3ccncc3)C2)cc1 ZINC000368030170 267138105 /nfs/dbraw/zinc/13/81/05/267138105.db2.gz MGXRBNOAKNJRFV-LJQANCHMSA-N 1 1 276.383 3.128 20 30 CGEDMO CCCCCCCC[N@@H+]1CCn2c(nnc2C2CC2)C1 ZINC000369592564 267251624 /nfs/dbraw/zinc/25/16/24/267251624.db2.gz RUPVOMWTIHCIAA-UHFFFAOYSA-N 1 1 276.428 3.332 20 30 CGEDMO CCCCCCCC[N@H+]1CCn2c(nnc2C2CC2)C1 ZINC000369592564 267251626 /nfs/dbraw/zinc/25/16/26/267251626.db2.gz RUPVOMWTIHCIAA-UHFFFAOYSA-N 1 1 276.428 3.332 20 30 CGEDMO C=C[C@H](C)[NH2+][C@@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000119345228 267323716 /nfs/dbraw/zinc/32/37/16/267323716.db2.gz FVMRHXDEJQOMFD-QWRGUYRKSA-N 1 1 290.798 3.454 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)CCC1 ZINC000418140242 267361768 /nfs/dbraw/zinc/36/17/68/267361768.db2.gz IUOPOJFSRCNSHZ-UHFFFAOYSA-N 1 1 284.281 3.211 20 30 CGEDMO CC(C)OCC[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000371785609 267464266 /nfs/dbraw/zinc/46/42/66/267464266.db2.gz OGLVIVJPASZZFW-DLBZAZTESA-N 1 1 272.392 3.183 20 30 CGEDMO CC(C)OCC[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000371785609 267464270 /nfs/dbraw/zinc/46/42/70/267464270.db2.gz OGLVIVJPASZZFW-DLBZAZTESA-N 1 1 272.392 3.183 20 30 CGEDMO COC1CC([N@@H+](C)CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000352223082 274015869 /nfs/dbraw/zinc/01/58/69/274015869.db2.gz TZUUHJXYROQZRS-UHFFFAOYSA-N 1 1 297.320 3.166 20 30 CGEDMO CCc1nc(N[C@H]2CCCc3cc(C#N)ccc32)cc(C)[nH+]1 ZINC000419015573 276686571 /nfs/dbraw/zinc/68/65/71/276686571.db2.gz NDBLYTJOOUYYFV-INIZCTEOSA-N 1 1 292.386 3.131 20 30 CGEDMO C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(C#N)cc1 ZINC000181859894 278272185 /nfs/dbraw/zinc/27/21/85/278272185.db2.gz CCDWPUCWVOBBSS-XKQJLSEDSA-N 1 1 271.408 3.082 20 30 CGEDMO CC1(C)CC[C@H](C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)O1 ZINC000186795761 278275976 /nfs/dbraw/zinc/27/59/76/278275976.db2.gz QYGFMMDEJVUWKR-QGZVFWFLSA-N 1 1 284.403 3.480 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000348276562 278306106 /nfs/dbraw/zinc/30/61/06/278306106.db2.gz OTFSAGNPBAERDH-QAPCUYQASA-N 1 1 297.446 3.283 20 30 CGEDMO C[C@@H](N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccc(C#N)cc1 ZINC000362232810 278372826 /nfs/dbraw/zinc/37/28/26/278372826.db2.gz CXYURWCSVCCAAI-RHSMWYFYSA-N 1 1 283.419 3.226 20 30 CGEDMO C[C@@H]([NH2+][C@@H]1CCN(C2CCCC2)C1)c1ccc(C#N)cc1 ZINC000362232810 278372827 /nfs/dbraw/zinc/37/28/27/278372827.db2.gz CXYURWCSVCCAAI-RHSMWYFYSA-N 1 1 283.419 3.226 20 30 CGEDMO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000118416503 279108857 /nfs/dbraw/zinc/10/88/57/279108857.db2.gz GXOYMYDULONSIA-MNOVXSKESA-N 1 1 264.369 3.023 20 30 CGEDMO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000118416503 279108858 /nfs/dbraw/zinc/10/88/58/279108858.db2.gz GXOYMYDULONSIA-MNOVXSKESA-N 1 1 264.369 3.023 20 30 CGEDMO CC[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)C[C@H](C)O1 ZINC000411267265 328081513 /nfs/dbraw/zinc/08/15/13/328081513.db2.gz YYVSHXDOYRTWCF-GJZGRUSLSA-N 1 1 264.413 3.350 20 30 CGEDMO CC#CC[N@H+](C)Cc1c(C)cc(C)c(C(C)=O)c1C ZINC000571109901 328086399 /nfs/dbraw/zinc/08/63/99/328086399.db2.gz KOQPJQIKQDPRIM-UHFFFAOYSA-N 1 1 257.377 3.270 20 30 CGEDMO CC#CC[N@@H+](C)Cc1c(C)cc(C)c(C(C)=O)c1C ZINC000571109901 328086401 /nfs/dbraw/zinc/08/64/01/328086401.db2.gz KOQPJQIKQDPRIM-UHFFFAOYSA-N 1 1 257.377 3.270 20 30 CGEDMO Cc1ccc(C[NH+]2CCC(C)(C#N)CC2)cc1[N+](=O)[O-] ZINC000272504799 328200031 /nfs/dbraw/zinc/20/00/31/328200031.db2.gz HURQIEPIKKYMES-UHFFFAOYSA-N 1 1 273.336 3.029 20 30 CGEDMO C[N@@H+](CCOc1ccc(Cl)cc1)[C@H]1CC[C@H](C#N)C1 ZINC000278604536 328228030 /nfs/dbraw/zinc/22/80/30/328228030.db2.gz MBPIJQGBBXLKAN-JSGCOSHPSA-N 1 1 278.783 3.343 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@@H]2CC[C@H](C#N)C2)cc1C ZINC000278623612 328228656 /nfs/dbraw/zinc/22/86/56/328228656.db2.gz NOAGFWHRAJDEAI-DZGCQCFKSA-N 1 1 258.365 3.128 20 30 CGEDMO CC[C@H](C)[N@@H+](CCO)Cc1ccccc1C(C)(C)C#N ZINC000287458592 328251285 /nfs/dbraw/zinc/25/12/85/328251285.db2.gz RBOSRRSULWOPPO-AWEZNQCLSA-N 1 1 274.408 3.081 20 30 CGEDMO CC[C@H](CC#N)[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000289542850 328255073 /nfs/dbraw/zinc/25/50/73/328255073.db2.gz FTFYMPLXPIMESY-AAOUONPWSA-N 1 1 250.292 3.260 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000295930518 328288020 /nfs/dbraw/zinc/28/80/20/328288020.db2.gz KHGITCPJYIBWJP-HNNXBMFYSA-N 1 1 257.381 3.201 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])CC(C)C ZINC000566301395 322114358 /nfs/dbraw/zinc/11/43/58/322114358.db2.gz LVKGLXAQSWPKSF-UHFFFAOYSA-N 1 1 275.352 3.334 20 30 CGEDMO C[C@@H]1C[C@@H](Nc2cccc(C(F)F)c2C#N)CC[N@H+]1C ZINC000569355186 322244985 /nfs/dbraw/zinc/24/49/85/322244985.db2.gz AQJZNKNOZDLZDM-MNOVXSKESA-N 1 1 279.334 3.390 20 30 CGEDMO C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000571350081 322296517 /nfs/dbraw/zinc/29/65/17/322296517.db2.gz BCOPMWGJXVWWNL-CQSZACIVSA-N 1 1 298.361 3.080 20 30 CGEDMO N#CCCC1CCN(c2cc[nH+]cc2Br)CC1 ZINC000335379734 328580596 /nfs/dbraw/zinc/58/05/96/328580596.db2.gz MKJLYKASSQRSHF-UHFFFAOYSA-N 1 1 294.196 3.364 20 30 CGEDMO C=C(CC)C[N@H+](CC)C1CCC(C(=O)OCC)CC1 ZINC000558750852 327119106 /nfs/dbraw/zinc/11/91/06/327119106.db2.gz UGKKBIBDBMXFNQ-UHFFFAOYSA-N 1 1 267.413 3.396 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](CCCCC(C)(C)C#N)CCCO1 ZINC000381141022 327122204 /nfs/dbraw/zinc/12/22/04/327122204.db2.gz QFSMKPMITUCRJZ-OAHLLOKOSA-N 1 1 266.429 3.453 20 30 CGEDMO N#CCSCCC[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000074989674 327122797 /nfs/dbraw/zinc/12/27/97/327122797.db2.gz CCMAWEMEORJFQH-HNNXBMFYSA-N 1 1 260.406 3.123 20 30 CGEDMO C[C@H](CC#N)[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000049525889 327286922 /nfs/dbraw/zinc/28/69/22/327286922.db2.gz FEFNPMQYOJIRQD-ZJUUUORDSA-N 1 1 267.170 3.402 20 30 CGEDMO CC(C)(C#N)CCC[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000126066832 327398520 /nfs/dbraw/zinc/39/85/20/327398520.db2.gz RVCYAEJCGAEMQX-AWEZNQCLSA-N 1 1 278.421 3.451 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000126066832 327398521 /nfs/dbraw/zinc/39/85/21/327398521.db2.gz RVCYAEJCGAEMQX-AWEZNQCLSA-N 1 1 278.421 3.451 20 30 CGEDMO C=CC[N@H+](CCc1cccnc1)Cc1cccc([N+](=O)[O-])c1 ZINC000172157770 329081678 /nfs/dbraw/zinc/08/16/78/329081678.db2.gz IBSRUKSNKDTYSH-UHFFFAOYSA-N 1 1 297.358 3.221 20 30 CGEDMO C=CC[NH+]1CCC(N[C@@H](CC(C)C)c2ccccn2)CC1 ZINC000177905296 329190293 /nfs/dbraw/zinc/19/02/93/329190293.db2.gz DPSIYVDKANGBAQ-SFHVURJKSA-N 1 1 287.451 3.409 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(OC)c(COCC)c1 ZINC000181044203 329225103 /nfs/dbraw/zinc/22/51/03/329225103.db2.gz ZABQXEHUPZMONU-UHFFFAOYSA-N 1 1 263.381 3.240 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000181243193 329227064 /nfs/dbraw/zinc/22/70/64/329227064.db2.gz LCDVRZIVQAOFRU-SNVBAGLBSA-N 1 1 291.420 3.170 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000181243193 329227066 /nfs/dbraw/zinc/22/70/66/329227066.db2.gz LCDVRZIVQAOFRU-SNVBAGLBSA-N 1 1 291.420 3.170 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000181253516 329227913 /nfs/dbraw/zinc/22/79/13/329227913.db2.gz YXWMNTPKKGWRDF-INIZCTEOSA-N 1 1 288.435 3.320 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(OCC)c(OCC)c1 ZINC000181298763 329230476 /nfs/dbraw/zinc/23/04/76/329230476.db2.gz HCPYQLWFPAKOPY-UHFFFAOYSA-N 1 1 263.381 3.492 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)N(CC)C1CCCCC1 ZINC000181329908 329231436 /nfs/dbraw/zinc/23/14/36/329231436.db2.gz ULMBWPYWWBWQBD-CQSZACIVSA-N 1 1 266.429 3.064 20 30 CGEDMO C[C@H]([NH2+]CC#Cc1cccc(Cl)c1)c1ccccn1 ZINC000181786746 329237166 /nfs/dbraw/zinc/23/71/66/329237166.db2.gz NINCUBXSWFHCAZ-ZDUSSCGKSA-N 1 1 270.763 3.437 20 30 CGEDMO CC[C@H](CC#N)NCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000184086590 329255925 /nfs/dbraw/zinc/25/59/25/329255925.db2.gz HOWXPJURDPANFO-QGZVFWFLSA-N 1 1 287.451 3.426 20 30 CGEDMO CC[C@H](CC#N)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000184095358 329256258 /nfs/dbraw/zinc/25/62/58/329256258.db2.gz SUGIAEJHDQAHEY-USXIJHARSA-N 1 1 271.408 3.104 20 30 CGEDMO CC[C@H](CC#N)[NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000184095358 329256259 /nfs/dbraw/zinc/25/62/59/329256259.db2.gz SUGIAEJHDQAHEY-USXIJHARSA-N 1 1 271.408 3.104 20 30 CGEDMO C=CCCC(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000186324714 329341040 /nfs/dbraw/zinc/34/10/40/329341040.db2.gz NJTHXNLUYHDMAB-QGZVFWFLSA-N 1 1 286.419 3.076 20 30 CGEDMO N#CCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000397102585 329341579 /nfs/dbraw/zinc/34/15/79/329341579.db2.gz AFXGGLUIRZYPSP-UHFFFAOYSA-N 1 1 293.754 3.374 20 30 CGEDMO C=CCCCCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000572423118 330070816 /nfs/dbraw/zinc/07/08/16/330070816.db2.gz RKQUYQTZPJSGFD-INIZCTEOSA-N 1 1 278.440 3.256 20 30 CGEDMO C=CC[NH+]1CCC(N[C@H](C)c2ccc(Cl)cn2)CC1 ZINC000274984451 330108595 /nfs/dbraw/zinc/10/85/95/330108595.db2.gz ZRXMMZPZRZSULO-GFCCVEGCSA-N 1 1 279.815 3.036 20 30 CGEDMO C#Cc1ccc(CN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000279146228 330121658 /nfs/dbraw/zinc/12/16/58/330121658.db2.gz ZORLFDVCKZOYOH-VQIMIIECSA-N 1 1 296.458 3.411 20 30 CGEDMO C#Cc1ccc(CN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000279146228 330121660 /nfs/dbraw/zinc/12/16/60/330121660.db2.gz ZORLFDVCKZOYOH-VQIMIIECSA-N 1 1 296.458 3.411 20 30 CGEDMO C=C(CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000423021058 330165703 /nfs/dbraw/zinc/16/57/03/330165703.db2.gz BCPLYUGWTHDHGE-KZNAEPCWSA-N 1 1 270.420 3.210 20 30 CGEDMO C=CCn1cc(C[NH2+][C@@H](c2cccc(C)c2)C(C)C)nn1 ZINC000527908604 330290573 /nfs/dbraw/zinc/29/05/73/330290573.db2.gz FWUFHIVXAJFRKU-QGZVFWFLSA-N 1 1 284.407 3.259 20 30 CGEDMO C=CC(C)(C)CC[NH2+][C@@H]1CCN(CCCOCC)C[C@@H]1C ZINC000527922798 330295956 /nfs/dbraw/zinc/29/59/56/330295956.db2.gz AXPMZZWHAAHRQB-DLBZAZTESA-N 1 1 296.499 3.315 20 30 CGEDMO CC#CC[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc23)CC1 ZINC000533355310 330359312 /nfs/dbraw/zinc/35/93/12/330359312.db2.gz RRKNVGOOIAUKOR-UHFFFAOYSA-N 1 1 268.335 3.419 20 30 CGEDMO C=CCOc1cccc(CNc2[nH]c3ccccc3[nH+]2)c1 ZINC000446969911 330858828 /nfs/dbraw/zinc/85/88/28/330858828.db2.gz SDRMHFZEYCCQAA-UHFFFAOYSA-N 1 1 279.343 3.162 20 30 CGEDMO C=CCCCC[C@H](C)[NH2+]C1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000449189231 330904978 /nfs/dbraw/zinc/90/49/78/330904978.db2.gz MBEANLHYDNFSJK-JQHSSLGASA-N 1 1 294.483 3.089 20 30 CGEDMO C[C@@H](C[N@@H+](CC1(C#N)CCC1)[C@@H](C)CO)c1ccccc1 ZINC000451028859 331012528 /nfs/dbraw/zinc/01/25/28/331012528.db2.gz JHTJPCNNNCNSTJ-HOTGVXAUSA-N 1 1 286.419 3.167 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451377906 331026394 /nfs/dbraw/zinc/02/63/94/331026394.db2.gz XSCRTMAUGADFBE-DLTWYDFYSA-N 1 1 258.409 3.460 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451427380 331029077 /nfs/dbraw/zinc/02/90/77/331029077.db2.gz XCGCYGIETJYCIU-JJXSEGSLSA-N 1 1 251.414 3.357 20 30 CGEDMO CO[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)CC1(C)C ZINC000451556674 331034410 /nfs/dbraw/zinc/03/44/10/331034410.db2.gz NCZJNKBTTQQBOF-CQSZACIVSA-N 1 1 266.429 3.453 20 30 CGEDMO CO[C@@H]1C[C@H]([N@@H+](C)CCCC(C)(C)C#N)C12CCC2 ZINC000451839631 331044388 /nfs/dbraw/zinc/04/43/88/331044388.db2.gz DFZXDNRGFSJHDW-UONOGXRCSA-N 1 1 264.413 3.206 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451852473 331044673 /nfs/dbraw/zinc/04/46/73/331044673.db2.gz KPNXEQMGFVRZOQ-ZFWWWQNUSA-N 1 1 261.365 3.134 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@H]1c1ccc(F)cc1C ZINC000451994332 331049594 /nfs/dbraw/zinc/04/95/94/331049594.db2.gz PZVCFXJMWQNEAW-INIZCTEOSA-N 1 1 263.356 3.474 20 30 CGEDMO C=CCC[C@H](CC)[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000453285714 331111130 /nfs/dbraw/zinc/11/11/30/331111130.db2.gz QHLDYEXECIAUCQ-CABCVRRESA-N 1 1 280.456 3.345 20 30 CGEDMO C=CCC1(NC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CCCCC1 ZINC000458289850 331247500 /nfs/dbraw/zinc/24/75/00/331247500.db2.gz LZQNCKBAYDSMHW-CQSZACIVSA-N 1 1 293.455 3.047 20 30 CGEDMO C=CCC(C)(C)CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000458810256 331260693 /nfs/dbraw/zinc/26/06/93/331260693.db2.gz MRXYARVXHPGMOO-HNNXBMFYSA-N 1 1 295.471 3.105 20 30 CGEDMO CCOC[C@@H]1CCCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000459706027 331295202 /nfs/dbraw/zinc/29/52/02/331295202.db2.gz IOJNPAFWNPQBHG-KRWDZBQOSA-N 1 1 275.367 3.068 20 30 CGEDMO CC#CCCN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000462321782 331319507 /nfs/dbraw/zinc/31/95/07/331319507.db2.gz WNMPFVLAJSAACO-WOJBJXKFSA-N 1 1 296.458 3.386 20 30 CGEDMO CC#CCCN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000462321782 331319508 /nfs/dbraw/zinc/31/95/08/331319508.db2.gz WNMPFVLAJSAACO-WOJBJXKFSA-N 1 1 296.458 3.386 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)N(C)C1CCC(C)CC1 ZINC000489391855 332050035 /nfs/dbraw/zinc/05/00/35/332050035.db2.gz ATUZTBIEMUUDGT-PCKAHOCUSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)OC)s1 ZINC000489489116 332056031 /nfs/dbraw/zinc/05/60/31/332056031.db2.gz YOEKSAXRVNJLBW-NSHDSACASA-N 1 1 265.378 3.075 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(C(=O)OC)s1 ZINC000489489116 332056032 /nfs/dbraw/zinc/05/60/32/332056032.db2.gz YOEKSAXRVNJLBW-NSHDSACASA-N 1 1 265.378 3.075 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1C[C@@H](c2ccc(C)cc2)C[C@H]1C ZINC000490077152 332080366 /nfs/dbraw/zinc/08/03/66/332080366.db2.gz QCOKOGOKEWPNON-NJAFHUGGSA-N 1 1 273.420 3.500 20 30 CGEDMO C#CC[N@H+](Cc1ccnc(Br)c1)C1CCCC1 ZINC000491202398 332164931 /nfs/dbraw/zinc/16/49/31/332164931.db2.gz NWOVQRXARWLEKE-UHFFFAOYSA-N 1 1 293.208 3.222 20 30 CGEDMO C#C[C@H](CC)NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000491461281 332215669 /nfs/dbraw/zinc/21/56/69/332215669.db2.gz CNBFFWBYPQBYET-BFYDXBDKSA-N 1 1 262.441 3.031 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(-c2ccncc2)cc1F ZINC000491538346 332233257 /nfs/dbraw/zinc/23/32/57/332233257.db2.gz YIOSIYWLWIXOKT-CYBMUJFWSA-N 1 1 268.335 3.341 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(-c2ccncc2)cc1F ZINC000491538346 332233258 /nfs/dbraw/zinc/23/32/58/332233258.db2.gz YIOSIYWLWIXOKT-CYBMUJFWSA-N 1 1 268.335 3.341 20 30 CGEDMO C#C[C@H]([NH2+]Cc1ccc(OC)c(F)c1)c1ccc(F)cc1 ZINC000491620222 332246145 /nfs/dbraw/zinc/24/61/45/332246145.db2.gz NFCMKGWAGKRYFI-INIZCTEOSA-N 1 1 287.309 3.438 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccccc1OCc1ccncc1 ZINC000491689797 332287209 /nfs/dbraw/zinc/28/72/09/332287209.db2.gz KIULASMYJMWSGO-OAHLLOKOSA-N 1 1 280.371 3.114 20 30 CGEDMO C#C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1ccc(Cl)cc1F ZINC000491718146 332307349 /nfs/dbraw/zinc/30/73/49/332307349.db2.gz STVRPZPTHZUPLJ-WBIUFABUSA-N 1 1 276.742 3.435 20 30 CGEDMO C#C[C@H]([NH2+]Cc1cnc2cccc(C)n12)c1ccc(F)cc1 ZINC000491730131 332312265 /nfs/dbraw/zinc/31/22/65/332312265.db2.gz OTZTYRDGYLCKNK-KRWDZBQOSA-N 1 1 293.345 3.246 20 30 CGEDMO C#CCN(C(=O)c1ccc(C[N@H+](CC)C(C)C)cc1)C1CC1 ZINC000491742689 332321249 /nfs/dbraw/zinc/32/12/49/332321249.db2.gz TUORSRQERDVTAV-UHFFFAOYSA-N 1 1 298.430 3.155 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(Cl)nc1C(F)(F)F ZINC000491766220 332334301 /nfs/dbraw/zinc/33/43/01/332334301.db2.gz GQFXGYSWARMWQG-MRVPVSSYSA-N 1 1 276.689 3.207 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(Cl)nc1C(F)(F)F ZINC000491766220 332334303 /nfs/dbraw/zinc/33/43/03/332334303.db2.gz GQFXGYSWARMWQG-MRVPVSSYSA-N 1 1 276.689 3.207 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1cccn1CC)c1ccc(F)cc1 ZINC000491768236 332335713 /nfs/dbraw/zinc/33/57/13/332335713.db2.gz HSUZYNLGZZYYHY-MRXNPFEDSA-N 1 1 256.324 3.111 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1cnc(-c2ccccc2F)s1 ZINC000491772738 332338897 /nfs/dbraw/zinc/33/88/97/332338897.db2.gz UGFUDUVRNNHOHM-LLVKDONJSA-N 1 1 274.364 3.403 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cnc(-c2ccccc2F)s1 ZINC000491772738 332338898 /nfs/dbraw/zinc/33/88/98/332338898.db2.gz UGFUDUVRNNHOHM-LLVKDONJSA-N 1 1 274.364 3.403 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1cc(OC)cc(OC)c1)c1ccc(F)cc1 ZINC000491815905 332366952 /nfs/dbraw/zinc/36/69/52/332366952.db2.gz QPQKOEMKHRMVHU-GOSISDBHSA-N 1 1 299.345 3.307 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]Cc1cncc(F)c1 ZINC000494597890 332479369 /nfs/dbraw/zinc/47/93/69/332479369.db2.gz QHGCMOQEHUGGRE-UHFFFAOYSA-N 1 1 272.323 3.075 20 30 CGEDMO CC[C@H](C)[N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000174842755 333008642 /nfs/dbraw/zinc/00/86/42/333008642.db2.gz DLULMARVLPSUSZ-AWEZNQCLSA-N 1 1 297.402 3.468 20 30 CGEDMO COC[C@H]1CCCC[N@H+]1CCCCC(C)(C)C#N ZINC000307766499 333015964 /nfs/dbraw/zinc/01/59/64/333015964.db2.gz DUHFIKLABSPQGU-CQSZACIVSA-N 1 1 252.402 3.207 20 30 CGEDMO CC[N@@H+](Cc1ccc(OCC2CC2)cc1)C[C@@H](C)C#N ZINC000191254552 333217435 /nfs/dbraw/zinc/21/74/35/333217435.db2.gz QOQGVISCOPHEAV-AWEZNQCLSA-N 1 1 272.392 3.457 20 30 CGEDMO CC[N@H+](Cc1ccc(OCC2CC2)cc1)C[C@@H](C)C#N ZINC000191254552 333217436 /nfs/dbraw/zinc/21/74/36/333217436.db2.gz QOQGVISCOPHEAV-AWEZNQCLSA-N 1 1 272.392 3.457 20 30 CGEDMO COc1ccc(OCC[N@@H+](C)CC#Cc2ccccc2)cc1 ZINC000191913316 333227213 /nfs/dbraw/zinc/22/72/13/333227213.db2.gz NKAJRZMSZSCXEQ-UHFFFAOYSA-N 1 1 295.382 3.058 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000192065144 333229112 /nfs/dbraw/zinc/22/91/12/333229112.db2.gz YTNTUFRZJGXINI-IRXDYDNUSA-N 1 1 271.429 3.398 20 30 CGEDMO CC1(C#N)CC[NH+](Cc2cc(Cl)cc3c2OCC3)CC1 ZINC000228834911 333297568 /nfs/dbraw/zinc/29/75/68/333297568.db2.gz WLUZQLKQEUZHAE-UHFFFAOYSA-N 1 1 290.794 3.401 20 30 CGEDMO C#C[C@H](CC)[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000229900968 333311221 /nfs/dbraw/zinc/31/12/21/333311221.db2.gz WGWUMWHJQKJBPK-CYBMUJFWSA-N 1 1 256.374 3.312 20 30 CGEDMO C[N@@H+](CCCCC(C)(C)C#N)CCc1ccncc1 ZINC000234271922 333359251 /nfs/dbraw/zinc/35/92/51/333359251.db2.gz LEUDGRMBTKADNU-UHFFFAOYSA-N 1 1 259.397 3.276 20 30 CGEDMO CO[C@H](C[NH2+]C[C@H](C#N)CCC#N)c1ccc(Cl)cc1 ZINC000576064226 335148225 /nfs/dbraw/zinc/14/82/25/335148225.db2.gz BTONQIIFIHGCCR-SWLSCSKDSA-N 1 1 291.782 3.061 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2ccc(OC(F)(F)F)cc2)o1 ZINC000174252680 335151223 /nfs/dbraw/zinc/15/12/23/335151223.db2.gz ORAVOIFNHJLBCS-UHFFFAOYSA-N 1 1 296.248 3.340 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2cc3ccccc3o2)o1 ZINC000174273310 335151629 /nfs/dbraw/zinc/15/16/29/335151629.db2.gz UQTCSILMKKBCJH-UHFFFAOYSA-N 1 1 252.273 3.187 20 30 CGEDMO C=CC[NH2+][C@@H](C)c1nc(-c2ccc(CC)cc2)no1 ZINC000544512323 333934056 /nfs/dbraw/zinc/93/40/56/333934056.db2.gz MZNYWOUVPUSDFG-NSHDSACASA-N 1 1 257.337 3.136 20 30 CGEDMO CCCCC[N@@H+](CCO)Cc1ccccc1C(C)(C)C#N ZINC000135230478 334120452 /nfs/dbraw/zinc/12/04/52/334120452.db2.gz PLOGCZIARGSKIQ-UHFFFAOYSA-N 1 1 288.435 3.472 20 30 CGEDMO C=CCCN1C[C@H](CC)[N@H+](CCC=C)C[C@@H]1CC ZINC000246961692 334272750 /nfs/dbraw/zinc/27/27/50/334272750.db2.gz KOWAISOYURPCMM-HOTGVXAUSA-N 1 1 250.430 3.313 20 30 CGEDMO Cc1cc(C[NH2+]C[C@@H](C)C#N)ccc1Br ZINC000085706923 334294389 /nfs/dbraw/zinc/29/43/89/334294389.db2.gz XMBUTAKVAWSMRQ-VIFPVBQESA-N 1 1 267.170 3.007 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)cc1 ZINC000552424348 334326186 /nfs/dbraw/zinc/32/61/86/334326186.db2.gz XPHWNIRKOIUYBR-MOPGFXCFSA-N 1 1 299.414 3.395 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)cc1 ZINC000552424348 334326188 /nfs/dbraw/zinc/32/61/88/334326188.db2.gz XPHWNIRKOIUYBR-MOPGFXCFSA-N 1 1 299.414 3.395 20 30 CGEDMO C=C(C)COCCNC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000090451433 334361373 /nfs/dbraw/zinc/36/13/73/334361373.db2.gz ZVPSTKFJWBAIGS-WMZOPIPTSA-N 1 1 294.483 3.212 20 30 CGEDMO CC[N@@H+](C[C@@H]1CCCC[C@@H]1O)[C@H](C)c1ccc(C#N)cc1 ZINC000576456013 335205394 /nfs/dbraw/zinc/20/53/94/335205394.db2.gz QBQQHTZCUIDQCU-JLSDUUJJSA-N 1 1 286.419 3.492 20 30 CGEDMO Cc1ccc(C[C@H](C)[N@@H+](C)Cc2ccc(C#N)cn2)cc1 ZINC000576475995 335209094 /nfs/dbraw/zinc/20/90/94/335209094.db2.gz QXRJMQXZDKCVSZ-HNNXBMFYSA-N 1 1 279.387 3.325 20 30 CGEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cn1)CC(C)(C)C ZINC000580692103 335331421 /nfs/dbraw/zinc/33/14/21/335331421.db2.gz QBEKIUCEVKEVBU-UHFFFAOYSA-N 1 1 259.397 3.457 20 30 CGEDMO C[C@@H](C#N)C[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000183820371 335907304 /nfs/dbraw/zinc/90/73/04/335907304.db2.gz CRKRXFVBKHCYNB-NSHDSACASA-N 1 1 257.362 3.059 20 30 CGEDMO C[C@@H](c1cccnc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000194301899 336015789 /nfs/dbraw/zinc/01/57/89/336015789.db2.gz LLIVYMGNAJCAEV-ZDUSSCGKSA-N 1 1 251.333 3.146 20 30 CGEDMO CC(C)OCCC[N@@H+](C)CCCCC(C)(C)C#N ZINC000382794336 336096948 /nfs/dbraw/zinc/09/69/48/336096948.db2.gz NNUKKOLLESMKNO-UHFFFAOYSA-N 1 1 254.418 3.453 20 30 CGEDMO C[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000581728959 336138821 /nfs/dbraw/zinc/13/88/21/336138821.db2.gz CMDOYZUECMULKU-BXUZGUMPSA-N 1 1 273.336 3.087 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)nc1 ZINC000581832121 336149429 /nfs/dbraw/zinc/14/94/29/336149429.db2.gz VEJFPHQKBITBBU-OAHLLOKOSA-N 1 1 295.361 3.157 20 30 CGEDMO Cc1ccc(C[C@@H]2CCC[N@H+]2Cc2ccc(C#N)cn2)cc1 ZINC000581980077 336183374 /nfs/dbraw/zinc/18/33/74/336183374.db2.gz ARTULBLMFAFWQD-IBGZPJMESA-N 1 1 291.398 3.469 20 30 CGEDMO CC(C)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000387106812 336185288 /nfs/dbraw/zinc/18/52/88/336185288.db2.gz AZCVHLAYDXORFT-INIZCTEOSA-N 1 1 299.418 3.255 20 30 CGEDMO COCC[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccco1 ZINC000272396936 500815311 /nfs/dbraw/zinc/81/53/11/500815311.db2.gz AOGTYVPGJYKRPO-CYBMUJFWSA-N 1 1 276.361 3.080 20 30 CGEDMO C[C@@H](c1ccc(F)cc1)[NH+]1CCC(F)(C#N)CC1 ZINC000352451601 534061582 /nfs/dbraw/zinc/06/15/82/534061582.db2.gz YDLHTPFBYSPNPR-NSHDSACASA-N 1 1 250.292 3.214 20 30 CGEDMO C[C@@H](Cc1[nH]cc[nH+]1)OCc1ccc(C#N)cc1Cl ZINC000438893455 534267505 /nfs/dbraw/zinc/26/75/05/534267505.db2.gz IZOVHRILOVXIPJ-JTQLQIEISA-N 1 1 275.739 3.083 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000190957409 534612203 /nfs/dbraw/zinc/61/22/03/534612203.db2.gz UTLXOCZAWHAICQ-SFHVURJKSA-N 1 1 288.435 3.357 20 30 CGEDMO C[N@H+](CCOCC1CC1)Cc1ccc(Cl)cc1C#N ZINC000187152320 522893508 /nfs/dbraw/zinc/89/35/08/522893508.db2.gz IDZWINIQRPJXTO-UHFFFAOYSA-N 1 1 278.783 3.070 20 30 CGEDMO C[N@@H+](CCOCC1CC1)Cc1ccc(Cl)cc1C#N ZINC000187152320 522893517 /nfs/dbraw/zinc/89/35/17/522893517.db2.gz IDZWINIQRPJXTO-UHFFFAOYSA-N 1 1 278.783 3.070 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)o1)[C@H]1CCCN(c2ccccc2)C1 ZINC000093511019 523212924 /nfs/dbraw/zinc/21/29/24/523212924.db2.gz WMGPDXXSDSGOGD-INIZCTEOSA-N 1 1 295.386 3.252 20 30 CGEDMO C[C@H]1CCC[N@@H+](CCCOc2cccc(C#N)c2)CC1 ZINC000110804467 524088284 /nfs/dbraw/zinc/08/82/84/524088284.db2.gz HCNNHCYKSQTDHL-HNNXBMFYSA-N 1 1 272.392 3.449 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1ccc(C#N)cc1 ZINC000352701616 526326438 /nfs/dbraw/zinc/32/64/38/526326438.db2.gz LLGCKGLDEVZDBJ-UHFFFAOYSA-N 1 1 266.344 3.382 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H]1CCN(c2ccccc2)C1=O ZINC000352016554 526439906 /nfs/dbraw/zinc/43/99/06/526439906.db2.gz YCWWOHCLGRRYIV-INIZCTEOSA-N 1 1 272.392 3.080 20 30 CGEDMO C[N@@H+](Cc1ccc(Cl)cc1C#N)[C@H](CO)CC(C)(C)C ZINC000451778576 536468282 /nfs/dbraw/zinc/46/82/82/536468282.db2.gz DDEDJBCHPYFRNC-HNNXBMFYSA-N 1 1 294.826 3.441 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCOC(C)(C)[C@H]2C)cc1 ZINC000353863183 526869485 /nfs/dbraw/zinc/86/94/85/526869485.db2.gz FYVJRYAYVBCJFJ-CQSZACIVSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2ccnc(C)n2)CCCC1(C)C ZINC000353230289 527119088 /nfs/dbraw/zinc/11/90/88/527119088.db2.gz LQXUDGVBTAUGTK-HNNXBMFYSA-N 1 1 259.397 3.352 20 30 CGEDMO C=CCc1cc(C[N@H+](C)Cc2ccoc2)cc(OC)c1O ZINC000352654044 527235747 /nfs/dbraw/zinc/23/57/47/527235747.db2.gz GZXSCBCTDHTEGU-UHFFFAOYSA-N 1 1 287.359 3.354 20 30 CGEDMO C=CCc1cc(C[N@@H+](C)Cc2ccoc2)cc(OC)c1O ZINC000352654044 527235759 /nfs/dbraw/zinc/23/57/59/527235759.db2.gz GZXSCBCTDHTEGU-UHFFFAOYSA-N 1 1 287.359 3.354 20 30 CGEDMO CC(=O)N[C@@H](C)C1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC000330174463 527542640 /nfs/dbraw/zinc/54/26/40/527542640.db2.gz ZCQFYQZDEPFUCM-NSHDSACASA-N 1 1 291.395 3.129 20 30 CGEDMO C=CC[NH+](CC=C)Cc1ccnn1-c1ccc(F)cc1 ZINC000353356973 527643852 /nfs/dbraw/zinc/64/38/52/527643852.db2.gz QEJAVHCTIIJCQQ-UHFFFAOYSA-N 1 1 271.339 3.185 20 30 CGEDMO CCC[N@@H+](CC)C[C@@H](C)Nc1ncc(C#N)cc1Cl ZINC000357812622 527992710 /nfs/dbraw/zinc/99/27/10/527992710.db2.gz RRHFRKLWLNNGAT-LLVKDONJSA-N 1 1 280.803 3.139 20 30 CGEDMO CCCC[N@@H+](C)CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000358567050 528347325 /nfs/dbraw/zinc/34/73/25/528347325.db2.gz IYTPPZCIEZDTCF-ZDUSSCGKSA-N 1 1 277.387 3.080 20 30 CGEDMO CCCCN(C)CC[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000358567050 528347330 /nfs/dbraw/zinc/34/73/30/528347330.db2.gz IYTPPZCIEZDTCF-ZDUSSCGKSA-N 1 1 277.387 3.080 20 30 CGEDMO CC1(C2CC2)CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459544385 535109172 /nfs/dbraw/zinc/10/91/72/535109172.db2.gz ZXVWNYFVNASFDU-UHFFFAOYSA-N 1 1 299.374 3.479 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)C1CC(C)(C)C1 ZINC000459741677 536877346 /nfs/dbraw/zinc/87/73/46/536877346.db2.gz NDQFFLYRQDMUQG-UHFFFAOYSA-N 1 1 258.365 3.187 20 30 CGEDMO C=CCC[N@@H+](C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000749493953 573013972 /nfs/dbraw/zinc/01/39/72/573013972.db2.gz SULZRXBUVAAXCI-AWEZNQCLSA-N 1 1 280.412 3.036 20 30 CGEDMO CCCCCCCCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000729525288 571923671 /nfs/dbraw/zinc/92/36/71/571923671.db2.gz GMZPTZGHJZCJSZ-HNNXBMFYSA-N 1 1 268.445 3.147 20 30 CGEDMO CC[N@@H+](CCc1ccccn1)Cc1ccc(OCC#N)cc1 ZINC000731212112 572401916 /nfs/dbraw/zinc/40/19/16/572401916.db2.gz TZCLQIAGVBWMJZ-UHFFFAOYSA-N 1 1 295.386 3.049 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@H+]2CCC[C@H](C)C2)c1O ZINC000732408455 572463804 /nfs/dbraw/zinc/46/38/04/572463804.db2.gz AOYIWIFZJAWODI-ZDUSSCGKSA-N 1 1 275.392 3.361 20 30 CGEDMO CCCCCCC[N@H+]1CCCC[C@H]1C1OCCO1 ZINC000740876000 572465482 /nfs/dbraw/zinc/46/54/82/572465482.db2.gz LYKALGQCAJVXSI-AWEZNQCLSA-N 1 1 255.402 3.184 20 30 CGEDMO CC[N@H+]1CCC(N=Nc2ccc3ccccc3n2)[C@H](C)C1 ZINC000741451181 572498485 /nfs/dbraw/zinc/49/84/85/572498485.db2.gz DKMPNIWJISLHHG-CYBMUJFWSA-N 1 1 282.391 3.364 20 30 CGEDMO CCCCCCCCC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000741722889 572519304 /nfs/dbraw/zinc/51/93/04/572519304.db2.gz TYRRQOQVRUOVPM-HUUCEWRRSA-N 1 1 268.445 3.336 20 30 CGEDMO CCCCCCCCC[N@@H+](C)CN1C[C@H](C)CC1=O ZINC000733294847 572552031 /nfs/dbraw/zinc/55/20/31/572552031.db2.gz PONBXQATOQKZSC-OAHLLOKOSA-N 1 1 268.445 3.495 20 30 CGEDMO CCC(CC)NN=C1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000734364758 572649002 /nfs/dbraw/zinc/64/90/02/572649002.db2.gz DWAYQDYUSZVCRZ-AWEZNQCLSA-N 1 1 288.439 3.058 20 30 CGEDMO C=CC[N@H+](CN1C(=O)C[C@H]1c1ccc(Cl)cc1)C(C)C ZINC000743350028 572649502 /nfs/dbraw/zinc/64/95/02/572649502.db2.gz HVYLASWMXHYROP-HNNXBMFYSA-N 1 1 292.810 3.467 20 30 CGEDMO C=CC[N@@H+](CN1C(=O)C[C@H]1c1ccc(Cl)cc1)C(C)C ZINC000743350028 572649503 /nfs/dbraw/zinc/64/95/03/572649503.db2.gz HVYLASWMXHYROP-HNNXBMFYSA-N 1 1 292.810 3.467 20 30 CGEDMO CC[C@H](C)[N@@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000735309608 572714473 /nfs/dbraw/zinc/71/44/73/572714473.db2.gz QCDSKBRTLAAPBC-NSHDSACASA-N 1 1 266.772 3.473 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](C)[C@H]1CNC(=O)OC(C)(C)C ZINC000747971026 572956717 /nfs/dbraw/zinc/95/67/17/572956717.db2.gz XGIFMVVJOZKJIJ-ZIAGYGMSSA-N 1 1 282.428 3.188 20 30 CGEDMO C#CC[N@@H+](CC)[C@@H](C)C(=O)Nc1ccccc1[C@@H](C)CC ZINC000749154640 572989963 /nfs/dbraw/zinc/98/99/63/572989963.db2.gz FOTJIVMCOWYYDV-GJZGRUSLSA-N 1 1 286.419 3.482 20 30 CGEDMO C#CC[N@H+](CC)[C@@H](C)C(=O)Nc1ccccc1[C@@H](C)CC ZINC000749154640 572989964 /nfs/dbraw/zinc/98/99/64/572989964.db2.gz FOTJIVMCOWYYDV-GJZGRUSLSA-N 1 1 286.419 3.482 20 30 CGEDMO C=CCCC[N@@H+](C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000749492992 573013745 /nfs/dbraw/zinc/01/37/45/573013745.db2.gz QTWRLVHJUIADRK-OAHLLOKOSA-N 1 1 294.439 3.426 20 30 CGEDMO C=CC(C)(C)C(=O)O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000835167737 634378713 /nfs/dbraw/zinc/37/87/13/634378713.db2.gz CGVHHZIHKGDLJC-HNNXBMFYSA-N 1 1 273.376 3.016 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]([C@@H]2CC[N@H+](CC)C2)C1 ZINC000961226511 613240541 /nfs/dbraw/zinc/24/05/41/613240541.db2.gz HFIDVRIWCHWBND-HZPDHXFCSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)CC2CC(C)C2)C1 ZINC000972073332 613241623 /nfs/dbraw/zinc/24/16/23/613241623.db2.gz QDSWIRUWJIKOQE-UYSNPLJNSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[NH+]1CC(N(CC)C(=O)c2occc2Cl)C1 ZINC000951630243 613247302 /nfs/dbraw/zinc/24/73/02/613247302.db2.gz IEYLLDYHEJQOJA-UHFFFAOYSA-N 1 1 296.798 3.046 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC2(CN(C(=O)CCC3CC3)C2)C1 ZINC000981675946 613250663 /nfs/dbraw/zinc/25/06/63/613250663.db2.gz NJGNPVHKPOXJAV-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000981844620 613253766 /nfs/dbraw/zinc/25/37/66/613253766.db2.gz FQPLRDZWUJTEQU-DLBZAZTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCC)C1 ZINC000963244824 613256973 /nfs/dbraw/zinc/25/69/73/613256973.db2.gz QVHSTVHZZLAPLA-IRXDYDNUSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C2(C)CC=CC2)C1 ZINC000968236570 613263029 /nfs/dbraw/zinc/26/30/29/613263029.db2.gz VAMMOEOFAXCRTP-CVEARBPZSA-N 1 1 290.451 3.136 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C(C)C)c2)C[C@H]1C ZINC000947896017 613270167 /nfs/dbraw/zinc/27/01/67/613270167.db2.gz UHIADZFIXVBVNC-QAPCUYQASA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C2CC2)C(C)(C)C1 ZINC000940655450 613271586 /nfs/dbraw/zinc/27/15/86/613271586.db2.gz NAXHWQPKRKJILG-HOCLYGCPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2)C[C@@H]1C ZINC000947005475 613271597 /nfs/dbraw/zinc/27/15/97/613271597.db2.gz PTKIQARSMQDTOL-RDJZCZTQSA-N 1 1 286.419 3.236 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC000980559630 613287815 /nfs/dbraw/zinc/28/78/15/613287815.db2.gz YBVGZSYXQHDBEL-AWEZNQCLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCCC2(C)C)C1 ZINC000980512146 613289884 /nfs/dbraw/zinc/28/98/84/613289884.db2.gz WEORTSYDCMNGAC-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)[C@@H]2CCC=CCCC2)CC1 ZINC000981433053 613309817 /nfs/dbraw/zinc/30/98/17/613309817.db2.gz JWPRIWQEIHGROL-QGZVFWFLSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2CCC(=C)CC2)C[C@@H]1C ZINC000947686004 613327194 /nfs/dbraw/zinc/32/71/94/613327194.db2.gz RRMHDDBYKKWWMO-DOTOQJQBSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C)C[C@H]1C ZINC000947008856 613329891 /nfs/dbraw/zinc/32/98/91/613329891.db2.gz BVCOENVSZWGUGT-HZPDHXFCSA-N 1 1 286.419 3.154 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C2(C)CCCCC2)[C@@H](C)C1 ZINC000942598346 613334717 /nfs/dbraw/zinc/33/47/17/613334717.db2.gz WBKRUYMMUQBKME-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)cs2)C[C@H]1C ZINC000947272019 613335823 /nfs/dbraw/zinc/33/58/23/613335823.db2.gz REDAHQDYKYMSIP-KGLIPLIRSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2occc2CC)C[C@@H]1C ZINC000947690179 613337266 /nfs/dbraw/zinc/33/72/66/613337266.db2.gz RPQONVHVMXTZAW-ZFWWWQNUSA-N 1 1 290.407 3.001 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)C(C)(C)C2CCC2)C(C)(C)C1 ZINC000974868291 613341146 /nfs/dbraw/zinc/34/11/46/613341146.db2.gz JASWMCDBAJSEDV-HNNXBMFYSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)c2ccsc2C)C(C)(C)C1 ZINC000974562503 613342605 /nfs/dbraw/zinc/34/26/05/613342605.db2.gz QZZVTNPHJRKJPX-AWEZNQCLSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)C2CCCCCC2)C1 ZINC000971195917 613369602 /nfs/dbraw/zinc/36/96/02/613369602.db2.gz BXRCFKUZIJUIIM-HNNXBMFYSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)C2CCCCCC2)C1 ZINC000971195917 613369603 /nfs/dbraw/zinc/36/96/03/613369603.db2.gz BXRCFKUZIJUIIM-HNNXBMFYSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)C[C@H]2CC=CCC2)C1 ZINC000972095036 613369940 /nfs/dbraw/zinc/36/99/40/613369940.db2.gz MAKRZEXNQNMPGQ-GJZGRUSLSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)C[C@H]2CC=CCC2)C1 ZINC000972095036 613369941 /nfs/dbraw/zinc/36/99/41/613369941.db2.gz MAKRZEXNQNMPGQ-GJZGRUSLSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(C)CC(=C)C2)C[C@H]1C ZINC000947702598 613378048 /nfs/dbraw/zinc/37/80/48/613378048.db2.gz QFSQIPMFWNTENH-KGLIPLIRSA-N 1 1 296.842 3.064 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(C)CC(=C)C2)C[C@H]1C ZINC000947702598 613378049 /nfs/dbraw/zinc/37/80/49/613378049.db2.gz QFSQIPMFWNTENH-KGLIPLIRSA-N 1 1 296.842 3.064 20 30 CGEDMO C=C[C@@H](C(=O)N1CC[NH+](CC=C(C)C)CC1)c1ccccc1 ZINC000957744119 613441391 /nfs/dbraw/zinc/44/13/91/613441391.db2.gz KYMNBMIYLCSXOK-GOSISDBHSA-N 1 1 298.430 3.067 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)C2CCC3(CC3)CC2)C1 ZINC000950898792 613476737 /nfs/dbraw/zinc/47/67/37/613476737.db2.gz ZHGJJDQLYMWYGI-UHFFFAOYSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)C1CC2(CC2)C1 ZINC000969024812 613489763 /nfs/dbraw/zinc/48/97/63/613489763.db2.gz HMOSYEQAKWRWKG-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@]2(C)C=CCC2)CC1 ZINC000948681021 613499793 /nfs/dbraw/zinc/49/97/93/613499793.db2.gz OXXQORVVOJHSBN-AEFFLSMTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=Cc1ccc(C(=O)N[C@H]2C[N@H+](CC(=C)C)CC[C@H]2C)cc1 ZINC000968339414 613515706 /nfs/dbraw/zinc/51/57/06/613515706.db2.gz GWFPOQNJQRNTBI-QAPCUYQASA-N 1 1 298.430 3.346 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)CC2CCCC2)C[C@@H]1C ZINC000946999477 613519760 /nfs/dbraw/zinc/51/97/60/613519760.db2.gz ACUSTLUDYUKBIN-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC000967997011 613529238 /nfs/dbraw/zinc/52/92/38/613529238.db2.gz UACQIUKNSGPZIO-HOCLYGCPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2csc(C)c2)C1 ZINC000968423086 613532271 /nfs/dbraw/zinc/53/22/71/613532271.db2.gz MWXDNMJHZALHIA-SWLSCSKDSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)CC2CCCC2)C(C)(C)C1 ZINC000940547611 613534898 /nfs/dbraw/zinc/53/48/98/613534898.db2.gz GGUKUIDCYDPZOD-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@@H](C)C1 ZINC000944226464 613536808 /nfs/dbraw/zinc/53/68/08/613536808.db2.gz IWDCADQZSOJJLP-QAETUUGQSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)c2cccc(C)c2)[C@H](C)C1 ZINC000941776819 613538845 /nfs/dbraw/zinc/53/88/45/613538845.db2.gz LMAURNNOBBDAQC-WBVHZDCISA-N 1 1 286.419 3.011 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC2(C)C)C(C)(C)C1 ZINC000974935278 613544847 /nfs/dbraw/zinc/54/48/47/613544847.db2.gz MGOMWRKANOAKSD-HUUCEWRRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)C2CCCCCCC2)C1 ZINC000971914016 613611498 /nfs/dbraw/zinc/61/14/98/613611498.db2.gz CUJBLLBQRNBDGN-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCCC(C)(C)C2)C1 ZINC000972732203 613612981 /nfs/dbraw/zinc/61/29/81/613612981.db2.gz ISXUBKATXHJBQP-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)c2sccc2C(C)C)C1 ZINC000980465054 613625429 /nfs/dbraw/zinc/62/54/29/613625429.db2.gz FEGQGMWZAJJWJD-CYBMUJFWSA-N 1 1 292.448 3.204 20 30 CGEDMO C=CC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccc(C=C)cc1 ZINC000969039282 613687274 /nfs/dbraw/zinc/68/72/74/613687274.db2.gz GPMXNXBOGVVFIR-SFHVURJKSA-N 1 1 298.430 3.490 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)C[C@@H](C)C2CCCCC2)CC1 ZINC000982192189 613689228 /nfs/dbraw/zinc/68/92/28/613689228.db2.gz UBUKFNPOXGNIAH-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)C[C@H]2CC=CCC2)CC1 ZINC000948681505 613700927 /nfs/dbraw/zinc/70/09/27/613700927.db2.gz ZFZAGPLSPJGBKF-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)C2CCCCCC2)CC1 ZINC000948240878 613704137 /nfs/dbraw/zinc/70/41/37/613704137.db2.gz JWSJSQNVZVIMEI-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CCCC23CC3)CC1 ZINC000948542387 613704774 /nfs/dbraw/zinc/70/47/74/613704774.db2.gz RAPQBNSGPAJACO-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)C2(C)C(C)(C)C2(C)C)[C@H](C)C1 ZINC000945365238 613740509 /nfs/dbraw/zinc/74/05/09/613740509.db2.gz IQJHJXLIWDKHSQ-ZIAGYGMSSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)c(C)s2)C[C@H]1C ZINC000948013228 613748914 /nfs/dbraw/zinc/74/89/14/613748914.db2.gz UMZZVAODCVKCQY-TZMCWYRMSA-N 1 1 292.448 3.134 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)c2ccsc2Cl)[C@H](C)C1 ZINC000943332984 613756331 /nfs/dbraw/zinc/75/63/31/613756331.db2.gz GTHLWVVVLVMFOA-ZYHUDNBSSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2sccc2Cl)C1 ZINC000966262462 613770939 /nfs/dbraw/zinc/77/09/39/613770939.db2.gz KLPKJTODQUGCRS-JQWIXIFHSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2sccc2Cl)C1 ZINC000966262462 613770940 /nfs/dbraw/zinc/77/09/40/613770940.db2.gz KLPKJTODQUGCRS-JQWIXIFHSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)cs2)C[C@H]1C ZINC000947776054 613788795 /nfs/dbraw/zinc/78/87/95/613788795.db2.gz SZLKVIXCVFAIRW-PWSUYJOCSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2occc2C(C)C)[C@H](C)C1 ZINC000942577600 613801006 /nfs/dbraw/zinc/80/10/06/613801006.db2.gz MTKGLFDUQHBVHR-HIFRSBDPSA-N 1 1 290.407 3.029 20 30 CGEDMO CC1(C)CCC[N@@H+](CCNc2nc(Cl)c(C#N)s2)C1 ZINC000804659967 617658405 /nfs/dbraw/zinc/65/84/05/617658405.db2.gz BHLAUYHRFXBJHA-UHFFFAOYSA-N 1 1 298.843 3.202 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccccc2C)no1 ZINC000899989927 620742116 /nfs/dbraw/zinc/74/21/16/620742116.db2.gz DUZDVUMNJXXVBU-ZDUSSCGKSA-N 1 1 257.337 3.401 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccc(C)cc2)no1 ZINC000899990805 620742293 /nfs/dbraw/zinc/74/22/93/620742293.db2.gz XHUNDIXEQNOTJR-CYBMUJFWSA-N 1 1 257.337 3.401 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(Cc2cccs2)no1 ZINC000899994593 620742895 /nfs/dbraw/zinc/74/28/95/620742895.db2.gz HYTTXOFUAKQJSJ-NSHDSACASA-N 1 1 263.366 3.078 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(-c2cccc(OC)c2)no1 ZINC000900003594 620743371 /nfs/dbraw/zinc/74/33/71/620743371.db2.gz MRUSLGZMGGDQOS-ZDUSSCGKSA-N 1 1 273.336 3.101 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2=CCCCCC2)C1 ZINC001010741842 617990941 /nfs/dbraw/zinc/99/09/41/617990941.db2.gz RCPHJERHJMHQAW-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccccc2)C1 ZINC001021505160 618015378 /nfs/dbraw/zinc/01/53/78/618015378.db2.gz IOGSWUMIHXBZQL-MSOLQXFVSA-N 1 1 298.430 3.189 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc(C)c2)C1 ZINC001021510489 618017592 /nfs/dbraw/zinc/01/75/92/618017592.db2.gz ZJSNSFPWDWGFQZ-ZWKOTPCHSA-N 1 1 298.430 3.108 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(F)=C(C)C)C1 ZINC001021562594 618044839 /nfs/dbraw/zinc/04/48/39/618044839.db2.gz LIUCHCXUJCQAHF-CABCVRRESA-N 1 1 294.414 3.139 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](Cc2nc(C)cs2)C1 ZINC000933123832 618157210 /nfs/dbraw/zinc/15/72/10/618157210.db2.gz ARTLUEBOARPMJJ-LLVKDONJSA-N 1 1 256.802 3.068 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](Cc2nc(C)cs2)C1 ZINC000933123832 618157213 /nfs/dbraw/zinc/15/72/13/618157213.db2.gz ARTLUEBOARPMJJ-LLVKDONJSA-N 1 1 256.802 3.068 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCc3ccccc3C2)cs1 ZINC000891390031 618181659 /nfs/dbraw/zinc/18/16/59/618181659.db2.gz IPMQCVZAQUNCFH-UHFFFAOYSA-N 1 1 254.358 3.178 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCc3ccccc3C2)cs1 ZINC000891390031 618181660 /nfs/dbraw/zinc/18/16/60/618181660.db2.gz IPMQCVZAQUNCFH-UHFFFAOYSA-N 1 1 254.358 3.178 20 30 CGEDMO CCn1cc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c(C)n1 ZINC000891596012 618240913 /nfs/dbraw/zinc/24/09/13/618240913.db2.gz IKTFNUJGJDIEIC-UHFFFAOYSA-N 1 1 294.402 3.248 20 30 CGEDMO CCn1cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c(C)n1 ZINC000891596012 618240915 /nfs/dbraw/zinc/24/09/15/618240915.db2.gz IKTFNUJGJDIEIC-UHFFFAOYSA-N 1 1 294.402 3.248 20 30 CGEDMO C[N@@H+](Cc1csc(C#N)c1)C[C@H]1OCCc2ccccc21 ZINC000891783291 618292711 /nfs/dbraw/zinc/29/27/11/618292711.db2.gz CRWFAFVNFTYZMC-QGZVFWFLSA-N 1 1 298.411 3.366 20 30 CGEDMO C[N@H+](Cc1csc(C#N)c1)C[C@H]1OCCc2ccccc21 ZINC000891783291 618292716 /nfs/dbraw/zinc/29/27/16/618292716.db2.gz CRWFAFVNFTYZMC-QGZVFWFLSA-N 1 1 298.411 3.366 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCCSC[C@@H]2C2CC2)cc1 ZINC000933911093 618372357 /nfs/dbraw/zinc/37/23/57/618372357.db2.gz AGTYAVDMHREDQO-QGZVFWFLSA-N 1 1 286.444 3.318 20 30 CGEDMO C=C1CCC(C(=O)N(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC000900799831 620813675 /nfs/dbraw/zinc/81/36/75/620813675.db2.gz LLHFFJJTNDSNTB-ZBFHGGJFSA-N 1 1 278.440 3.064 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@H]2Cc2ccccc2)cs1 ZINC000892131259 618550084 /nfs/dbraw/zinc/55/00/84/618550084.db2.gz YAKRREOTLHDDNH-HNNXBMFYSA-N 1 1 268.385 3.437 20 30 CGEDMO CS[C@@H]1CCCC[N@@H+](Cc2csc(C#N)c2)C1 ZINC000892231759 618608871 /nfs/dbraw/zinc/60/88/71/618608871.db2.gz FARUPRDWVWVUFD-GFCCVEGCSA-N 1 1 266.435 3.337 20 30 CGEDMO COc1cccc(C=Nc2ccc3c(c2)C[N@@H+](C)C3)c1O ZINC000255527555 618656436 /nfs/dbraw/zinc/65/64/36/618656436.db2.gz NKGSNGNXHKFMFG-UHFFFAOYSA-N 1 1 282.343 3.097 20 30 CGEDMO COc1cccc(C=Nc2ccc3c(c2)C[N@H+](C)C3)c1O ZINC000255527555 618656443 /nfs/dbraw/zinc/65/64/43/618656443.db2.gz NKGSNGNXHKFMFG-UHFFFAOYSA-N 1 1 282.343 3.097 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](c2ccc(OC)cc2)C1 ZINC000157730939 618726037 /nfs/dbraw/zinc/72/60/37/618726037.db2.gz KWCWEBQADWTMFL-ZDUSSCGKSA-N 1 1 251.757 3.237 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[C@@H]1C ZINC001017861457 618887010 /nfs/dbraw/zinc/88/70/10/618887010.db2.gz VHXOTPPDEHXSTJ-MWDXBVQZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[C@@H]1C ZINC001017861457 618887011 /nfs/dbraw/zinc/88/70/11/618887011.db2.gz VHXOTPPDEHXSTJ-MWDXBVQZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]1CC ZINC001017903241 618890771 /nfs/dbraw/zinc/89/07/71/618890771.db2.gz STGVGXOEEHTAIQ-WCXIOVBPSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]1CC ZINC001017903241 618890774 /nfs/dbraw/zinc/89/07/74/618890774.db2.gz STGVGXOEEHTAIQ-WCXIOVBPSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCCCN(CC)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000892825398 618941195 /nfs/dbraw/zinc/94/11/95/618941195.db2.gz YYFFDZWLRUIOFB-INIZCTEOSA-N 1 1 295.471 3.105 20 30 CGEDMO C[C@@H]1[C@@H](N2CCCC2)CC[N@@H+]1CCCCC1(C#N)CCC1 ZINC000930482128 619001509 /nfs/dbraw/zinc/00/15/09/619001509.db2.gz KKLNFHMAEVYKTQ-SJORKVTESA-N 1 1 289.467 3.409 20 30 CGEDMO C[C@@H]1[C@@H](N2CCCC2)CC[N@H+]1CCCCC1(C#N)CCC1 ZINC000930482128 619001512 /nfs/dbraw/zinc/00/15/12/619001512.db2.gz KKLNFHMAEVYKTQ-SJORKVTESA-N 1 1 289.467 3.409 20 30 CGEDMO CC1(C)C[N@@H+](CC2CCC(C#N)CC2)[C@H]1[C@@H]1CCCO1 ZINC000930506932 619007977 /nfs/dbraw/zinc/00/79/77/619007977.db2.gz AAUBXAYKOFSMNK-CKUJCDMFSA-N 1 1 276.424 3.206 20 30 CGEDMO CCOc1ccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)o1 ZINC000893191402 619023872 /nfs/dbraw/zinc/02/38/72/619023872.db2.gz LRCHFANGTXXZMC-UHFFFAOYSA-N 1 1 282.343 3.329 20 30 CGEDMO C=C(Cl)C[NH2+][C@H](COC)c1cccc(Cl)c1 ZINC000309456673 619027915 /nfs/dbraw/zinc/02/79/15/619027915.db2.gz MRHNAHGRGFXKRZ-GFCCVEGCSA-N 1 1 260.164 3.370 20 30 CGEDMO CO[C@H]1CC[N@@H+](CCCCC2(C#N)CCC2)C[C@H]1C ZINC000930641156 619042308 /nfs/dbraw/zinc/04/23/08/619042308.db2.gz WGURXORIZVPVNA-CABCVRRESA-N 1 1 264.413 3.207 20 30 CGEDMO C[C@H](CO)[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000930966977 619096240 /nfs/dbraw/zinc/09/62/40/619096240.db2.gz SFKAENDBIPKUFS-WBMJQRKESA-N 1 1 292.810 3.195 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1ccc(C(F)(F)F)nc1N(C)C ZINC000893349862 619124418 /nfs/dbraw/zinc/12/44/18/619124418.db2.gz BQOFFUXHJFJVAR-UHFFFAOYSA-N 1 1 293.720 3.009 20 30 CGEDMO CO[C@H]1CC[C@H](C)[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000931474600 619180131 /nfs/dbraw/zinc/18/01/31/619180131.db2.gz NVIRVDALRFWKOU-NHYWBVRUSA-N 1 1 278.783 3.211 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCS[C@@H](C)CC2)cc1 ZINC000190700238 619210526 /nfs/dbraw/zinc/21/05/26/619210526.db2.gz LYUQVJAEHRZJHD-KBPBESRZSA-N 1 1 290.432 3.305 20 30 CGEDMO CCc1c[nH]c2nc[nH+]c(NCC(C)(C)CCC#N)c12 ZINC000893867104 619324463 /nfs/dbraw/zinc/32/44/63/619324463.db2.gz NCJBRDLHHOUGRE-UHFFFAOYSA-N 1 1 271.368 3.262 20 30 CGEDMO C[C@H](C#N)C[N@H+](C)Cc1cc2c(cccc2O)s1 ZINC000893962473 619337971 /nfs/dbraw/zinc/33/79/71/619337971.db2.gz OGRQCUDHTNCBSO-SNVBAGLBSA-N 1 1 260.362 3.198 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C)Cc1cc2c(cccc2O)s1 ZINC000893962473 619337975 /nfs/dbraw/zinc/33/79/75/619337975.db2.gz OGRQCUDHTNCBSO-SNVBAGLBSA-N 1 1 260.362 3.198 20 30 CGEDMO COCC[N@H+](Cc1cc(C)co1)Cc1ccc(C#N)cc1 ZINC000893958062 619340461 /nfs/dbraw/zinc/34/04/61/619340461.db2.gz LKIKVCZCNSWYRL-UHFFFAOYSA-N 1 1 284.359 3.108 20 30 CGEDMO COCC[N@@H+](Cc1cc(C)co1)Cc1ccc(C#N)cc1 ZINC000893958062 619340463 /nfs/dbraw/zinc/34/04/63/619340463.db2.gz LKIKVCZCNSWYRL-UHFFFAOYSA-N 1 1 284.359 3.108 20 30 CGEDMO COCc1c(C)cc(C)c(C[N@H+](C)C[C@H](C)C#N)c1C ZINC000893995882 619346191 /nfs/dbraw/zinc/34/61/91/619346191.db2.gz VGJYQUFAUVDYHA-GFCCVEGCSA-N 1 1 274.408 3.350 20 30 CGEDMO COCc1c(C)cc(C)c(C[N@@H+](C)C[C@H](C)C#N)c1C ZINC000893995882 619346193 /nfs/dbraw/zinc/34/61/93/619346193.db2.gz VGJYQUFAUVDYHA-GFCCVEGCSA-N 1 1 274.408 3.350 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)cs1 ZINC000894485013 619551159 /nfs/dbraw/zinc/55/11/59/619551159.db2.gz JQLLLCFGNOXTIO-KGLIPLIRSA-N 1 1 290.432 3.258 20 30 CGEDMO C=CC[C@@H]([NH2+][C@H](C)c1cn(C(C)C)nn1)c1ccncc1 ZINC000925075508 619569039 /nfs/dbraw/zinc/56/90/39/619569039.db2.gz OZKVKUBHXVOFHJ-UKRRQHHQSA-N 1 1 285.395 3.222 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000894648593 619595385 /nfs/dbraw/zinc/59/53/85/619595385.db2.gz IQRZSGKEEJBPCD-RBUKOAKNSA-N 1 1 296.414 3.319 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)cs1 ZINC000895082358 619719795 /nfs/dbraw/zinc/71/97/95/619719795.db2.gz OJKKABPEFPWRLK-UKRRQHHQSA-N 1 1 276.405 3.011 20 30 CGEDMO NC(CCc1ccccc1)=[NH+]OCc1cccc(F)c1 ZINC000049322512 619733396 /nfs/dbraw/zinc/73/33/96/619733396.db2.gz DLHJQBKNYBLRAC-UHFFFAOYSA-N 1 1 272.323 3.247 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2c(C)nn(C(C)C)c2C)C1 ZINC000895558364 619849671 /nfs/dbraw/zinc/84/96/71/619849671.db2.gz INZDYQHRDHIKEN-HNNXBMFYSA-N 1 1 261.413 3.479 20 30 CGEDMO C=C(C)C[C@H]([NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)C(=O)OCC ZINC000895593236 619857620 /nfs/dbraw/zinc/85/76/20/619857620.db2.gz YDINOQPCQAGKJF-SOUVJXGZSA-N 1 1 297.439 3.068 20 30 CGEDMO Cc1cc(F)ncc1C[N@@H+](C)CCc1cccc(C#N)c1 ZINC000895786188 619885312 /nfs/dbraw/zinc/88/53/12/619885312.db2.gz NBZBZXVRIMRWAQ-UHFFFAOYSA-N 1 1 283.350 3.075 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)c1 ZINC000895842708 619892757 /nfs/dbraw/zinc/89/27/57/619892757.db2.gz FGAFNNNCFOIPQZ-FUHWJXTLSA-N 1 1 287.403 3.252 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000895847228 619896327 /nfs/dbraw/zinc/89/63/27/619896327.db2.gz SXUSDJBELPDGRX-HKUYNNGSSA-N 1 1 299.414 3.090 20 30 CGEDMO C=CCC(C)(C)c1noc(Cn2cc[nH+]c2C(C)C)n1 ZINC000896327607 619995426 /nfs/dbraw/zinc/99/54/26/619995426.db2.gz DIWMTMSTWXESJO-UHFFFAOYSA-N 1 1 274.368 3.292 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H](C3CCOCC3)C2)cs1 ZINC000897271383 620176535 /nfs/dbraw/zinc/17/65/35/620176535.db2.gz KSPDWMHDRZMBPL-OAHLLOKOSA-N 1 1 290.432 3.258 20 30 CGEDMO Cc1csc(C[C@H]2CC[N@H+](C[C@H](C)CCC#N)C2)n1 ZINC000897299257 620186196 /nfs/dbraw/zinc/18/61/96/620186196.db2.gz XVNCTZTVAYYMCE-TZMCWYRMSA-N 1 1 277.437 3.256 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@]2(C)CCC[C@H]2C)CC1 ZINC000985632425 620223405 /nfs/dbraw/zinc/22/34/05/620223405.db2.gz NHWPUPCGUZPLQK-QAPCUYQASA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@@H]2CC[C@@H](C)C2)CC1 ZINC000985689540 620229754 /nfs/dbraw/zinc/22/97/54/620229754.db2.gz RPLOUZYJUOOYBW-TZMCWYRMSA-N 1 1 298.858 3.098 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)c2cc(C)cc(C)c2)CC1 ZINC000985769178 620237533 /nfs/dbraw/zinc/23/75/33/620237533.db2.gz SEOBWKICCXLJMV-UHFFFAOYSA-N 1 1 286.419 3.026 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)[C@H](C=C)c2ccccc2)CC1 ZINC000985800626 620240151 /nfs/dbraw/zinc/24/01/51/620240151.db2.gz XDXQBIFXDSVUDB-GOSISDBHSA-N 1 1 298.430 3.065 20 30 CGEDMO C[C@H](c1cccnc1)[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC000179142671 620348511 /nfs/dbraw/zinc/34/85/11/620348511.db2.gz DSKDHDNUFSHBJF-OAHLLOKOSA-N 1 1 295.386 3.415 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1C[C@@H](O)c1c(F)cccc1F ZINC000785997434 620393634 /nfs/dbraw/zinc/39/36/34/620393634.db2.gz OHBHGWOMKHDODY-BXUZGUMPSA-N 1 1 267.319 3.039 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1c(F)cccc1F ZINC000785997434 620393637 /nfs/dbraw/zinc/39/36/37/620393637.db2.gz OHBHGWOMKHDODY-BXUZGUMPSA-N 1 1 267.319 3.039 20 30 CGEDMO CC[C@@H](C)[C@@H](C[N@@H+](C)Cc1cc(C#N)cs1)OC ZINC000897624298 620411594 /nfs/dbraw/zinc/41/15/94/620411594.db2.gz HNZNYBCQOXYZQB-BXUZGUMPSA-N 1 1 266.410 3.113 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H](C)C2CCCC2)CC1 ZINC000989456552 620489371 /nfs/dbraw/zinc/48/93/71/620489371.db2.gz AJXOZLLLOZVTKU-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000929162116 620517944 /nfs/dbraw/zinc/51/79/44/620517944.db2.gz HRBDCMLBPZFLRH-ZIAGYGMSSA-N 1 1 298.308 3.100 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)[C@]2(C)CC=C(C)CC2)CC1 ZINC000989717291 620522434 /nfs/dbraw/zinc/52/24/34/620522434.db2.gz AVYQZMUOWQCDCN-GOSISDBHSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)[C@]2(C)CC=C(C)CC2)CC1 ZINC000989717794 620522452 /nfs/dbraw/zinc/52/24/52/620522452.db2.gz KOALCPALTDOWFO-GOSISDBHSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)C[C@@H]2CCCC[C@@H]2C)CC1 ZINC000989772745 620524378 /nfs/dbraw/zinc/52/43/78/620524378.db2.gz ISOFYEJCBAOCIY-IRXDYDNUSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)C3CCCCCC3)CCC[C@@H]12 ZINC000990030860 620535026 /nfs/dbraw/zinc/53/50/26/620535026.db2.gz MIPYFEYVMMKFPE-SJLPKXTDSA-N 1 1 290.451 3.256 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)C=C3CCCCC3)CCC[C@@H]12 ZINC000989997597 620535073 /nfs/dbraw/zinc/53/50/73/620535073.db2.gz BGRSWMWMYYENHV-SJLPKXTDSA-N 1 1 288.435 3.176 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)CC3CCC3)CCC[C@H]12 ZINC000990083888 620535456 /nfs/dbraw/zinc/53/54/56/620535456.db2.gz QXLVZGKSKWEEJO-GOEBONIOSA-N 1 1 296.842 3.042 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)CC3CCC3)CCC[C@H]12 ZINC000990083888 620535457 /nfs/dbraw/zinc/53/54/57/620535457.db2.gz QXLVZGKSKWEEJO-GOEBONIOSA-N 1 1 296.842 3.042 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)CC3CCC3)CCC[C@@H]12 ZINC000990137771 620537160 /nfs/dbraw/zinc/53/71/60/620537160.db2.gz SYXARVOKHMPGCB-AEFFLSMTSA-N 1 1 290.451 3.256 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2scc(C)c2Cl)C1 ZINC001014538907 620543458 /nfs/dbraw/zinc/54/34/58/620543458.db2.gz GMMKXJNOJRDTQC-LLVKDONJSA-N 1 1 298.839 3.090 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1cc(Br)ccc1F ZINC000041044087 620551826 /nfs/dbraw/zinc/55/18/26/620551826.db2.gz LPAXDHBOBDBIPU-UHFFFAOYSA-N 1 1 278.552 3.430 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)C3CC(C)(C)C3)CCC[C@H]12 ZINC000990539283 620553436 /nfs/dbraw/zinc/55/34/36/620553436.db2.gz CAFJGMSFDCRLOW-YJBOKZPZSA-N 1 1 290.451 3.112 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000898516152 620595354 /nfs/dbraw/zinc/59/53/54/620595354.db2.gz NBBPIRZEWHIBPC-HZPDHXFCSA-N 1 1 278.440 3.455 20 30 CGEDMO Cn1nccc1N[NH+]=CC=C1N(C)c2ccccc2C1(C)C ZINC000901223204 620846996 /nfs/dbraw/zinc/84/69/96/620846996.db2.gz AANOTWBEXUBQHE-FEFHTSIYSA-N 1 1 295.390 3.129 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000901318215 620859239 /nfs/dbraw/zinc/85/92/39/620859239.db2.gz QOELJODTHILWGN-AWEZNQCLSA-N 1 1 291.782 3.023 20 30 CGEDMO Cc1cc(NCc2c(C)cc(C#N)cc2C)nc(C)[nH+]1 ZINC000902168893 621182281 /nfs/dbraw/zinc/18/22/81/621182281.db2.gz AOKKITAAGOJZFH-UHFFFAOYSA-N 1 1 266.348 3.194 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CCC1)c1cc(-c2ccccc2)nn1C ZINC000903035715 621537389 /nfs/dbraw/zinc/53/73/89/621537389.db2.gz TXTUBQHHJIFYOH-AWEZNQCLSA-N 1 1 294.402 3.432 20 30 CGEDMO CC[C@@H](N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc(C#N)c1 ZINC000903047549 621554662 /nfs/dbraw/zinc/55/46/62/621554662.db2.gz PQTVFYJLHNUMLW-DLBZAZTESA-N 1 1 285.435 3.472 20 30 CGEDMO CC[C@@H](N[C@H]1CC[N@H+](C(C)(C)C)C1)c1cccc(C#N)c1 ZINC000903047549 621554666 /nfs/dbraw/zinc/55/46/66/621554666.db2.gz PQTVFYJLHNUMLW-DLBZAZTESA-N 1 1 285.435 3.472 20 30 CGEDMO CC(C)(C#N)C[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000903100556 621573001 /nfs/dbraw/zinc/57/30/01/621573001.db2.gz SMGBHUNVPQKTHU-ZDUSSCGKSA-N 1 1 262.328 3.179 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CC1)c1cccc(C(F)(F)F)c1O ZINC000903105649 621578520 /nfs/dbraw/zinc/57/85/20/621578520.db2.gz GQUAFPJSKQXSDR-VIFPVBQESA-N 1 1 284.281 3.365 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1ccc([S@](C)=O)cc1 ZINC000903109595 621582355 /nfs/dbraw/zinc/58/23/55/621582355.db2.gz SCELXISNUNESMB-XCLFUZPHSA-N 1 1 290.432 3.159 20 30 CGEDMO N#CCCc1ccc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000903297801 621665359 /nfs/dbraw/zinc/66/53/59/621665359.db2.gz KLSXOKQERWJKGL-DLBZAZTESA-N 1 1 269.392 3.181 20 30 CGEDMO C[C@@H]([NH2+][C@@H](c1ccccn1)C1CC1)c1cccc(C#N)c1O ZINC000903335198 621691727 /nfs/dbraw/zinc/69/17/27/621691727.db2.gz MDKHIAXXSNHDEV-SJKOYZFVSA-N 1 1 293.370 3.461 20 30 CGEDMO C[C@H]([NH2+][C@@H](c1ccccn1)C1CC1)c1cc(C#N)ccn1 ZINC000903335703 621692661 /nfs/dbraw/zinc/69/26/61/621692661.db2.gz SBVRMPJDAFFCLD-YVEFUNNKSA-N 1 1 278.359 3.150 20 30 CGEDMO CCCCCCCC[C@@H]([NH3+])c1nc(Cc2ccon2)no1 ZINC000904608356 621944548 /nfs/dbraw/zinc/94/45/48/621944548.db2.gz ZUWCRLAAGGWMMN-CYBMUJFWSA-N 1 1 292.383 3.399 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc([C@@H]2CCCCS2)no1 ZINC000904637709 621949368 /nfs/dbraw/zinc/94/93/68/621949368.db2.gz BEXBOIBBGZPZMZ-MNOVXSKESA-N 1 1 267.398 3.384 20 30 CGEDMO Cc1ccc[nH+]c1NCc1c(C)cc(C#N)cc1C ZINC000905405422 622067758 /nfs/dbraw/zinc/06/77/58/622067758.db2.gz BNWXVOQSYNOULB-UHFFFAOYSA-N 1 1 251.333 3.491 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCC2)[C@H]1C(C)C ZINC000905956566 622132456 /nfs/dbraw/zinc/13/24/56/622132456.db2.gz NALGGIYSXDUIAQ-JYJNAYRXSA-N 1 1 278.440 3.044 20 30 CGEDMO CC[N@@H+]1CCCC[C@H]1C(=O)OCCCCC1(C#N)CCC1 ZINC000909021364 622385409 /nfs/dbraw/zinc/38/54/09/622385409.db2.gz SJQLEFFTBQRAGE-HNNXBMFYSA-N 1 1 292.423 3.268 20 30 CGEDMO CC[N@H+]1CCCC[C@H]1C(=O)OCCCCC1(C#N)CCC1 ZINC000909021364 622385413 /nfs/dbraw/zinc/38/54/13/622385413.db2.gz SJQLEFFTBQRAGE-HNNXBMFYSA-N 1 1 292.423 3.268 20 30 CGEDMO COc1cc(C)cc(C[N@@H+](CCC#N)CCC(C)C)c1O ZINC000164290448 622827229 /nfs/dbraw/zinc/82/72/29/622827229.db2.gz CMFROFAZJNTBGU-UHFFFAOYSA-N 1 1 290.407 3.471 20 30 CGEDMO CC(C)[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000226983942 623006389 /nfs/dbraw/zinc/00/63/89/623006389.db2.gz FSTCLQFKTBRSOO-SJLPKXTDSA-N 1 1 286.419 3.350 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1ccnc(Cl)c1 ZINC000059896346 623021355 /nfs/dbraw/zinc/02/13/55/623021355.db2.gz ZRWSBZIXEUFIOW-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccnc(Cl)c1 ZINC000059896346 623021366 /nfs/dbraw/zinc/02/13/66/623021366.db2.gz ZRWSBZIXEUFIOW-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO N#CCOc1ccc(C[NH2+]Cc2c(F)cccc2F)cc1 ZINC000171769721 623189073 /nfs/dbraw/zinc/18/90/73/623189073.db2.gz JYFGIUGTXIRKQB-UHFFFAOYSA-N 1 1 288.297 3.157 20 30 CGEDMO CCCCCCC[NH+]1CCN(CC2CCOCC2)CC1 ZINC000172658854 623269578 /nfs/dbraw/zinc/26/95/78/623269578.db2.gz GSQHBGAUGXMFOV-UHFFFAOYSA-N 1 1 282.472 3.001 20 30 CGEDMO CCCCC(N)=[NH+]OCc1cc(-c2cccs2)on1 ZINC000063460106 623327544 /nfs/dbraw/zinc/32/75/44/623327544.db2.gz BOTDNWWZZFZIBY-UHFFFAOYSA-N 1 1 279.365 3.382 20 30 CGEDMO C=CCON=C1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842536723 623466398 /nfs/dbraw/zinc/46/63/98/623466398.db2.gz YFIWIWUYBPACOY-UHFFFAOYSA-N 1 1 270.376 3.374 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3ccc(C=C)cc3)CCC[C@@H]12 ZINC000992289002 623504239 /nfs/dbraw/zinc/50/42/39/623504239.db2.gz URLJXKMAMOYUDI-IEBWSBKVSA-N 1 1 296.414 3.242 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3ccc(CC)cc3)CCC[C@H]12 ZINC000992484353 623596245 /nfs/dbraw/zinc/59/62/45/623596245.db2.gz DYKQVFWWJACWQR-PKOBYXMFSA-N 1 1 298.430 3.162 20 30 CGEDMO C[C@@H]1CC(N=Nc2ccccc2Cl)C[N@H+]1C1CC1 ZINC000753954457 623740732 /nfs/dbraw/zinc/74/07/32/623740732.db2.gz BQPNOBAANULAAW-SNVBAGLBSA-N 1 1 263.772 3.365 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)oc2C)[C@H]1C ZINC000993053170 623807496 /nfs/dbraw/zinc/80/74/96/623807496.db2.gz VDHCRVUPDKLICC-CZUORRHYSA-N 1 1 290.407 3.055 20 30 CGEDMO C[C@@H](N[NH+]=C1CC[C@@H]2CNc3cccc1c32)C(F)(F)F ZINC000834998175 623846124 /nfs/dbraw/zinc/84/61/24/623846124.db2.gz CZYYEWSTHCNFSF-RKDXNWHRSA-N 1 1 283.297 3.234 20 30 CGEDMO CC(=[NH+]N[C@@H]1CCCC1(C)C)c1cc(N)ccc1F ZINC000814917452 623954131 /nfs/dbraw/zinc/95/41/31/623954131.db2.gz LNEHCWAWFDBTPC-CQSZACIVSA-N 1 1 263.360 3.300 20 30 CGEDMO CC(=[NH+]N[C@H]1CCCC1(C)C)c1cc(N)ccc1F ZINC000814917451 623954412 /nfs/dbraw/zinc/95/44/12/623954412.db2.gz LNEHCWAWFDBTPC-AWEZNQCLSA-N 1 1 263.360 3.300 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2cc(C)c(C)o2)[C@@H]1C ZINC000993210252 623966421 /nfs/dbraw/zinc/96/64/21/623966421.db2.gz URODSKFUPCWZDY-ZFWWWQNUSA-N 1 1 290.407 3.055 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C(F)=C2CCCC2)[C@@H]1C ZINC000993232363 623992191 /nfs/dbraw/zinc/99/21/91/623992191.db2.gz MRDMIGGNVJHDNJ-DZGCQCFKSA-N 1 1 294.414 3.329 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C(F)=C2CCCC2)[C@H]1C ZINC000993232377 623992227 /nfs/dbraw/zinc/99/22/27/623992227.db2.gz MRDMIGGNVJHDNJ-UKRRQHHQSA-N 1 1 294.414 3.329 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2F)[C@@H]1C ZINC000993263918 623997136 /nfs/dbraw/zinc/99/71/36/623997136.db2.gz LCGQVOHNOQJGQC-WCQYABFASA-N 1 1 296.411 3.046 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)cs2)[C@@H]1C ZINC000993307588 624005153 /nfs/dbraw/zinc/00/51/53/624005153.db2.gz HACJVWSAZSAYBT-KBPBESRZSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2c(C)coc2C)[C@H]1C ZINC000993307179 624005405 /nfs/dbraw/zinc/00/54/05/624005405.db2.gz CMVOHIAKOVZSBE-HIFRSBDPSA-N 1 1 290.407 3.055 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C23CCC(CC2)C3)[C@H]1C ZINC000993480427 624052545 /nfs/dbraw/zinc/05/25/45/624052545.db2.gz DLWLDKSRBSMNLR-JBCIKUTRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C2CCC2)[C@@H]1C ZINC000993634648 624055340 /nfs/dbraw/zinc/05/53/40/624055340.db2.gz MLDBZCHMRPLEML-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C2(C)CCCC2)[C@H]1C ZINC000993637826 624055730 /nfs/dbraw/zinc/05/57/30/624055730.db2.gz VCYYBKRJCYKMON-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C2(C3CC3)CCC2)[C@@H]1C ZINC000993651935 624055799 /nfs/dbraw/zinc/05/57/99/624055799.db2.gz AMVJSBOQOIOSMN-HOCLYGCPSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+](CC(C)C)[C@H]2C)CC1 ZINC000993746167 624060967 /nfs/dbraw/zinc/06/09/67/624060967.db2.gz AHMKVOYIWIAYGW-DOTOQJQBSA-N 1 1 292.467 3.358 20 30 CGEDMO C=Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CC(=C)C)[C@H]2C)cc1 ZINC000993830333 624064338 /nfs/dbraw/zinc/06/43/38/624064338.db2.gz XRDLNPHHYMFQGW-MAUKXSAKSA-N 1 1 298.430 3.488 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C2(C)CC2)C1 ZINC001015693113 624067647 /nfs/dbraw/zinc/06/76/47/624067647.db2.gz QZBGONSFVSPAMU-OAHLLOKOSA-N 1 1 298.430 3.118 20 30 CGEDMO C=CC[N@H+](CC(=O)N[C@@H](C)CCCC(C)C)C(C)C ZINC000917071873 624234042 /nfs/dbraw/zinc/23/40/42/624234042.db2.gz ZSSWQPMFDVYQLF-HNNXBMFYSA-N 1 1 268.445 3.214 20 30 CGEDMO C=CC[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)C(C)C ZINC000917071726 624234362 /nfs/dbraw/zinc/23/43/62/624234362.db2.gz YKZZOMZGLVBIRQ-JKSUJKDBSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C)c3ccccc23)C1 ZINC001015762311 624240622 /nfs/dbraw/zinc/24/06/22/624240622.db2.gz DJUHLKJIHHXKAP-HNNXBMFYSA-N 1 1 294.398 3.138 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1ccc(CC)cc1)C(C)C ZINC000917166863 624248890 /nfs/dbraw/zinc/24/88/90/624248890.db2.gz KERAFRORQLHBFF-UHFFFAOYSA-N 1 1 260.381 3.084 20 30 CGEDMO C#CCCC[NH+]1CCN(C2CCC(C(C)C)CC2)CC1 ZINC000766907292 624408371 /nfs/dbraw/zinc/40/83/71/624408371.db2.gz YUKWYTBJFAUREP-UHFFFAOYSA-N 1 1 276.468 3.232 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccccc1O ZINC000179563455 624666382 /nfs/dbraw/zinc/66/63/82/624666382.db2.gz UVGIGHWODDIQRV-UHFFFAOYSA-N 1 1 278.355 3.452 20 30 CGEDMO CCCCC(N)=[NH+]OCc1ccc(SC)c(OC)c1 ZINC000068775200 624756528 /nfs/dbraw/zinc/75/65/28/624756528.db2.gz SATBABOOCHKIPL-UHFFFAOYSA-N 1 1 282.409 3.396 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CNC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000921688853 625839712 /nfs/dbraw/zinc/83/97/12/625839712.db2.gz IODBMOLOGRNJAE-KRWDZBQOSA-N 1 1 299.462 3.385 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CNC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000921688853 625839718 /nfs/dbraw/zinc/83/97/18/625839718.db2.gz IODBMOLOGRNJAE-KRWDZBQOSA-N 1 1 299.462 3.385 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2oc3ccccc3c2C)C1 ZINC001016181829 625858853 /nfs/dbraw/zinc/85/88/53/625858853.db2.gz ZHETYIVRIZLUOT-CQSZACIVSA-N 1 1 298.386 3.121 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000921818566 625889019 /nfs/dbraw/zinc/88/90/19/625889019.db2.gz QCUOCPVLMSJKMB-IAGOWNOFSA-N 1 1 285.435 3.138 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@@]2(C)CC)CC1 ZINC001001322840 625894860 /nfs/dbraw/zinc/89/48/60/625894860.db2.gz ACFUUQDDUBTBFG-FUHWJXTLSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C[C@H](OC(=O)c1cnn(-c2cc[nH+]cc2)c1)C(C)(C)C ZINC000835389965 634478460 /nfs/dbraw/zinc/47/84/60/634478460.db2.gz ABHDCPAFEISHAB-AWEZNQCLSA-N 1 1 285.347 3.025 20 30 CGEDMO C=CCCC[N@H+]1CCOC[C@@H]1C[C@H]1CNc2ccccc21 ZINC000923556567 626164296 /nfs/dbraw/zinc/16/42/96/626164296.db2.gz POVGOFXVNCOXKY-HOTGVXAUSA-N 1 1 286.419 3.253 20 30 CGEDMO C#CC[N@@H+](Cc1c(C)nc2scc(C3CC3)n12)C1CC1 ZINC000839014006 626298675 /nfs/dbraw/zinc/29/86/75/626298675.db2.gz WQBYZHBUISJFGN-UHFFFAOYSA-N 1 1 285.416 3.179 20 30 CGEDMO C#CC[N@H+](Cc1c(C)nc2scc(C3CC3)n12)C1CC1 ZINC000839014006 626298678 /nfs/dbraw/zinc/29/86/78/626298678.db2.gz WQBYZHBUISJFGN-UHFFFAOYSA-N 1 1 285.416 3.179 20 30 CGEDMO C[N@@H+](Cc1ccc(OCC#N)cc1)C1CC(C)(C)C1 ZINC000839192415 626328511 /nfs/dbraw/zinc/32/85/11/626328511.db2.gz QZGCOXQBUSWFQE-UHFFFAOYSA-N 1 1 258.365 3.209 20 30 CGEDMO CC#CC[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000751559688 626395923 /nfs/dbraw/zinc/39/59/23/626395923.db2.gz ZHTFETOVZGTMFT-MSOLQXFVSA-N 1 1 271.404 3.378 20 30 CGEDMO CC1(C)CCC(=[NH+]n2cc(Br)cn2)CC1 ZINC000752748150 626437123 /nfs/dbraw/zinc/43/71/23/626437123.db2.gz SRNGVYXCKMUOLE-UHFFFAOYSA-N 1 1 270.174 3.450 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000752856231 626440689 /nfs/dbraw/zinc/44/06/89/626440689.db2.gz OZAYIXLBGGWYQE-IRXDYDNUSA-N 1 1 259.393 3.193 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000752857715 626440935 /nfs/dbraw/zinc/44/09/35/626440935.db2.gz XTMMWLLVYMSWKM-INIZCTEOSA-N 1 1 286.419 3.009 20 30 CGEDMO C#CC[N@@H+](Cn1ncc(Cl)c1C)C1CCCCC1 ZINC000753794276 626465799 /nfs/dbraw/zinc/46/57/99/626465799.db2.gz JALRFYWDHYGNII-UHFFFAOYSA-N 1 1 265.788 3.070 20 30 CGEDMO C#CC[N@H+](Cn1ncc(Cl)c1C)C1CCCCC1 ZINC000753794276 626465801 /nfs/dbraw/zinc/46/58/01/626465801.db2.gz JALRFYWDHYGNII-UHFFFAOYSA-N 1 1 265.788 3.070 20 30 CGEDMO C[C@H]1CC(N=Nc2cc(F)c(F)c(F)c2)C[N@H+]1C1CC1 ZINC000753960229 626470191 /nfs/dbraw/zinc/47/01/91/626470191.db2.gz PFERZCGUVYAACM-QMMMGPOBSA-N 1 1 283.297 3.128 20 30 CGEDMO CCCCCCCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000754864924 626590984 /nfs/dbraw/zinc/59/09/84/626590984.db2.gz IDCSMNHQKONOFG-GJZGRUSLSA-N 1 1 283.460 3.129 20 30 CGEDMO COC(=O)c1cccc(C[N@H+]2CCC3(CCCC3)C2)c1C#N ZINC000756542946 626713754 /nfs/dbraw/zinc/71/37/54/626713754.db2.gz LYZBRQCFTKWRQH-UHFFFAOYSA-N 1 1 298.386 3.111 20 30 CGEDMO C#CC[C@H]([NH2+]Cc1nn(C)c2ccccc12)c1ccccc1 ZINC000756995244 626746132 /nfs/dbraw/zinc/74/61/32/626746132.db2.gz FKSWMMXJVCYZSU-KRWDZBQOSA-N 1 1 289.382 3.428 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC000757101527 626754753 /nfs/dbraw/zinc/75/47/53/626754753.db2.gz ICWDCSXEKOPOOX-UONOGXRCSA-N 1 1 282.428 3.188 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000839595956 626764089 /nfs/dbraw/zinc/76/40/89/626764089.db2.gz PIOOKGJPKAZKLF-MXWKQRLJSA-N 1 1 261.196 3.194 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)[C@@H](C)c1ccc(C(=O)OC)o1 ZINC000839602009 626764749 /nfs/dbraw/zinc/76/47/49/626764749.db2.gz PUQODSPTIQZMND-AWEZNQCLSA-N 1 1 297.354 3.263 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)c1ccc(C(=O)OC)o1 ZINC000839602009 626764752 /nfs/dbraw/zinc/76/47/52/626764752.db2.gz PUQODSPTIQZMND-AWEZNQCLSA-N 1 1 297.354 3.263 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCC1=NOCC(F)F ZINC000758912019 626865929 /nfs/dbraw/zinc/86/59/29/626865929.db2.gz SQFGKACAGVOODV-LBPRGKRZSA-N 1 1 282.334 3.166 20 30 CGEDMO Cc1ccc(F)c(N=NC2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000759653595 626912052 /nfs/dbraw/zinc/91/20/52/626912052.db2.gz SHHHJAMDONLTAY-LLVKDONJSA-N 1 1 261.344 3.159 20 30 CGEDMO C=C(C)C[N@@H+](CC)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000759844345 626925661 /nfs/dbraw/zinc/92/56/61/626925661.db2.gz MQFLKLOVDPEIPW-AWEZNQCLSA-N 1 1 271.763 3.411 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)Cc1ccc(N(CC)CC)cc1 ZINC000760806939 626993071 /nfs/dbraw/zinc/99/30/71/626993071.db2.gz RBLWCFOSRABEFT-SFHVURJKSA-N 1 1 290.451 3.292 20 30 CGEDMO C=CCC[N@H+](C)CN1CCN(c2ccc(Cl)cc2)C1=O ZINC000808179315 627049337 /nfs/dbraw/zinc/04/93/37/627049337.db2.gz KOHWIIUQRSXLLY-UHFFFAOYSA-N 1 1 293.798 3.047 20 30 CGEDMO Clc1scc(C=NNc2cc[nH+]cc2)c1Cl ZINC000761833441 627064508 /nfs/dbraw/zinc/06/45/08/627064508.db2.gz CXZRHTOLSCUWEJ-UHFFFAOYSA-N 1 1 272.160 3.318 20 30 CGEDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000763242119 627146545 /nfs/dbraw/zinc/14/65/45/627146545.db2.gz RYUIZFVIHFQXLQ-WBAXXEDZSA-N 1 1 286.419 3.492 20 30 CGEDMO C[C@@H]1c2ccccc2C[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000763411793 627156978 /nfs/dbraw/zinc/15/69/78/627156978.db2.gz BSGYQRVTSYMLCB-FZKQIMNGSA-N 1 1 278.355 3.168 20 30 CGEDMO C#CC[N@H+](Cc1ccc(Br)cc1C)C1CC1 ZINC000763948624 627186368 /nfs/dbraw/zinc/18/63/68/627186368.db2.gz CELAAGPPYJJIKY-UHFFFAOYSA-N 1 1 278.193 3.355 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1OCC(F)(F)F)C1CC1 ZINC000763956469 627187525 /nfs/dbraw/zinc/18/75/25/627187525.db2.gz PENGBYXNMOAHJN-UHFFFAOYSA-N 1 1 283.293 3.225 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1OCC(F)(F)F)C1CC1 ZINC000763956469 627187528 /nfs/dbraw/zinc/18/75/28/627187528.db2.gz PENGBYXNMOAHJN-UHFFFAOYSA-N 1 1 283.293 3.225 20 30 CGEDMO C#CC[N@@H+](Cc1cc(F)cc(C(F)(F)F)c1)C1CC1 ZINC000764681814 627218163 /nfs/dbraw/zinc/21/81/63/627218163.db2.gz JHSHRZIRIKGADS-UHFFFAOYSA-N 1 1 271.257 3.442 20 30 CGEDMO C#CC[N@H+](Cc1cc(F)cc(C(F)(F)F)c1)C1CC1 ZINC000764681814 627218165 /nfs/dbraw/zinc/21/81/65/627218165.db2.gz JHSHRZIRIKGADS-UHFFFAOYSA-N 1 1 271.257 3.442 20 30 CGEDMO C#CCCOC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000765465383 627251734 /nfs/dbraw/zinc/25/17/34/627251734.db2.gz QYYZIZRDWOQPJX-UHFFFAOYSA-N 1 1 273.376 3.097 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@@H+](C)[C@@H]2CCSC2)c1O ZINC000125053727 634560374 /nfs/dbraw/zinc/56/03/74/634560374.db2.gz GEKLFXWNEVALOS-CQSZACIVSA-N 1 1 293.432 3.067 20 30 CGEDMO C#CCCC[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 ZINC000766941264 627372049 /nfs/dbraw/zinc/37/20/49/627372049.db2.gz WEKSXFJKCRVUQI-HUUCEWRRSA-N 1 1 294.439 3.025 20 30 CGEDMO COCC#CC[N@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767878270 627441019 /nfs/dbraw/zinc/44/10/19/627441019.db2.gz YFBKNQYFGNJIOO-AWEZNQCLSA-N 1 1 297.320 3.145 20 30 CGEDMO C[C@H]1CCC[C@H](C=[NH+]n2cc(Br)cn2)C1 ZINC000768367401 627476379 /nfs/dbraw/zinc/47/63/79/627476379.db2.gz QAFDQFIGFMOWGB-UWVGGRQHSA-N 1 1 270.174 3.306 20 30 CGEDMO CC(C)C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCC#N ZINC000768154460 627464522 /nfs/dbraw/zinc/46/45/22/627464522.db2.gz UDKLRPMMKJEMKJ-VMPITWQZSA-N 1 1 287.363 3.480 20 30 CGEDMO CC(C)C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCC#N ZINC000768154460 627464526 /nfs/dbraw/zinc/46/45/26/627464526.db2.gz UDKLRPMMKJEMKJ-VMPITWQZSA-N 1 1 287.363 3.480 20 30 CGEDMO C=CC[N@H+](Cc1cc2c(cc1OC)C[C@H](C)O2)C(C)C ZINC000768546749 627486248 /nfs/dbraw/zinc/48/62/48/627486248.db2.gz DUWJAYKZZCAIGF-ZDUSSCGKSA-N 1 1 275.392 3.415 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)Cc2ccoc2)cc1 ZINC000769003092 627515382 /nfs/dbraw/zinc/51/53/82/627515382.db2.gz ANIMKUFULQMPHP-CYBMUJFWSA-N 1 1 270.332 3.202 20 30 CGEDMO C[N@@H+](CCc1ccccc1F)Cc1cc(C#N)cs1 ZINC000769020987 627517920 /nfs/dbraw/zinc/51/79/20/627517920.db2.gz KQIBHFZBXLYNOT-UHFFFAOYSA-N 1 1 274.364 3.433 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CC[C@@H](c3ccco3)C2)cc1 ZINC000769387916 627547923 /nfs/dbraw/zinc/54/79/23/627547923.db2.gz CQZWQJRBPMTGBQ-MRXNPFEDSA-N 1 1 281.355 3.281 20 30 CGEDMO CCc1ccc(C=NOCCCn2cc[nH+]c2C)cc1 ZINC000769556692 627565575 /nfs/dbraw/zinc/56/55/75/627565575.db2.gz LMPUCFVABDAJME-UHFFFAOYSA-N 1 1 271.364 3.195 20 30 CGEDMO C=CC[C@H]1[N@H+](CC[C@@H]2CCOC2=O)CCCC1(C)C ZINC000769954483 627592501 /nfs/dbraw/zinc/59/25/01/627592501.db2.gz TWNBKBGSPDKRPB-ZIAGYGMSSA-N 1 1 265.397 3.006 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCCC[C@@H](SC)C2)cc1 ZINC000770349932 627614488 /nfs/dbraw/zinc/61/44/88/627614488.db2.gz OKAFGABDVMNEMC-QGZVFWFLSA-N 1 1 289.444 3.416 20 30 CGEDMO C=C(CC)C[N@H+](C)CC(=O)Nc1ccccc1Cl ZINC000773409650 627881004 /nfs/dbraw/zinc/88/10/04/627881004.db2.gz NVMSEFPGJSHINR-UHFFFAOYSA-N 1 1 266.772 3.177 20 30 CGEDMO C=C(CC)C[N@@H+](C)CC(=O)Nc1ccccc1Cl ZINC000773409650 627881006 /nfs/dbraw/zinc/88/10/06/627881006.db2.gz NVMSEFPGJSHINR-UHFFFAOYSA-N 1 1 266.772 3.177 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000773425695 627882315 /nfs/dbraw/zinc/88/23/15/627882315.db2.gz BCEGVHNBQRCEQW-AWEZNQCLSA-N 1 1 282.428 3.141 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(OC)cc1 ZINC000773430626 627883284 /nfs/dbraw/zinc/88/32/84/627883284.db2.gz RPVBBWVGNBBYMC-MRXNPFEDSA-N 1 1 288.391 3.064 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)CCc1cc(Cl)cc(Cl)c1 ZINC000773893712 627926255 /nfs/dbraw/zinc/92/62/55/627926255.db2.gz CIFIDFABZZTPRN-JTQLQIEISA-N 1 1 256.176 3.489 20 30 CGEDMO c1ccc(C[N@@H+]2CCC(=NOC3CCCC3)C2)cc1 ZINC000774603116 628008342 /nfs/dbraw/zinc/00/83/42/628008342.db2.gz MSIKJLMXIVZCGC-UHFFFAOYSA-N 1 1 258.365 3.208 20 30 CGEDMO c1ccc(C[N@H+]2CCC(=NOC3CCCC3)C2)cc1 ZINC000774603116 628008346 /nfs/dbraw/zinc/00/83/46/628008346.db2.gz MSIKJLMXIVZCGC-UHFFFAOYSA-N 1 1 258.365 3.208 20 30 CGEDMO Cc1noc(C)c1C[N@@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000774841655 628037138 /nfs/dbraw/zinc/03/71/38/628037138.db2.gz ZETMJYXFZNZIGJ-UHFFFAOYSA-N 1 1 269.348 3.104 20 30 CGEDMO Cc1noc(C)c1C[N@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000774841655 628037141 /nfs/dbraw/zinc/03/71/41/628037141.db2.gz ZETMJYXFZNZIGJ-UHFFFAOYSA-N 1 1 269.348 3.104 20 30 CGEDMO C#C[C@H]([NH2+]Cc1cnc(C2CCCC2)s1)[C@H]1CCCO1 ZINC000775340574 628083601 /nfs/dbraw/zinc/08/36/01/628083601.db2.gz HTXCLQQPGZEJPD-LSDHHAIUSA-N 1 1 290.432 3.071 20 30 CGEDMO C#C[C@H]([NH2+][C@@H](C)c1ccccc1OC(F)F)[C@H]1CCCO1 ZINC000775573451 628109678 /nfs/dbraw/zinc/10/96/78/628109678.db2.gz YNFCFZHTBJAXJZ-CORIIIEPSA-N 1 1 295.329 3.119 20 30 CGEDMO C#C[C@H]([NH2+][C@H](C)c1ccc2ccccc2n1)[C@@H]1CCCO1 ZINC000775573104 628110075 /nfs/dbraw/zinc/11/00/75/628110075.db2.gz GELXKDGNDJTTML-XUWXXGDYSA-N 1 1 280.371 3.066 20 30 CGEDMO C#C[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1OC)[C@@H]1CCCO1 ZINC000775575857 628110596 /nfs/dbraw/zinc/11/05/96/628110596.db2.gz ZMEFAPPRRJMMOW-WPGHFRTFSA-N 1 1 293.794 3.180 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CCOC[C@@]2(C)CC)cc1 ZINC000775981334 628155134 /nfs/dbraw/zinc/15/51/34/628155134.db2.gz PIKVHKUKSHFDBC-GOSISDBHSA-N 1 1 287.403 3.090 20 30 CGEDMO CN1CCCc2cc(C=[NH+]OCCC(F)(F)F)ccc21 ZINC000777456376 628272624 /nfs/dbraw/zinc/27/26/24/628272624.db2.gz XRTNWPILWRSICR-UHFFFAOYSA-N 1 1 286.297 3.372 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@H+](C)CCC ZINC000779153758 628390910 /nfs/dbraw/zinc/39/09/10/628390910.db2.gz KDUPFRQAFGVJMP-UHFFFAOYSA-N 1 1 251.757 3.194 20 30 CGEDMO C#CCCCCCC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000779746942 628425622 /nfs/dbraw/zinc/42/56/22/628425622.db2.gz LATGGFADVORIOZ-SFHVURJKSA-N 1 1 298.430 3.085 20 30 CGEDMO C#CCCCCCC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000779746942 628425624 /nfs/dbraw/zinc/42/56/24/628425624.db2.gz LATGGFADVORIOZ-SFHVURJKSA-N 1 1 298.430 3.085 20 30 CGEDMO CC(=NNC1=[NH+]C[C@H](C)N1)c1ccc(-c2cccs2)cc1 ZINC000779803046 628432823 /nfs/dbraw/zinc/43/28/23/628432823.db2.gz MUURDSMUUCKPCA-NSHDSACASA-N 1 1 298.415 3.076 20 30 CGEDMO C(=NNc1cc[nH+]cc1)c1csc(-c2cccs2)n1 ZINC000779809313 628433371 /nfs/dbraw/zinc/43/33/71/628433371.db2.gz ONHUAVGLKPFBJZ-UHFFFAOYSA-N 1 1 286.385 3.135 20 30 CGEDMO Cc1cc(Cl)cc(C)c1C=NNc1cc[nH+]cc1 ZINC000779810483 628434067 /nfs/dbraw/zinc/43/40/67/628434067.db2.gz DBWWLWVTOGOFDL-UHFFFAOYSA-N 1 1 259.740 3.220 20 30 CGEDMO Clc1cc2c(c(Cl)c1)C(=NNc1cc[nH+]cc1)CO2 ZINC000779809724 628434141 /nfs/dbraw/zinc/43/41/41/628434141.db2.gz OJJXDIZHHUVMMU-UHFFFAOYSA-N 1 1 294.141 3.019 20 30 CGEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)CCCCCC=C)c1 ZINC000780291033 628478560 /nfs/dbraw/zinc/47/85/60/628478560.db2.gz ZQWRFDHSYFWSQG-UHFFFAOYSA-N 1 1 284.403 3.285 20 30 CGEDMO C#CC[N@H+](C[C@@H]1CCO[C@H](CC)C1)C1CCCCC1 ZINC000780758902 628515279 /nfs/dbraw/zinc/51/52/79/628515279.db2.gz ZLBCFVYBHKOOTD-NVXWUHKLSA-N 1 1 263.425 3.460 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@H]2CCCOc3ccc(F)cc32)nc1 ZINC000783292871 628699656 /nfs/dbraw/zinc/69/96/56/628699656.db2.gz CSXKAAHACQIQBF-INIZCTEOSA-N 1 1 297.333 3.096 20 30 CGEDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(C#N)cn1 ZINC000783299507 628700724 /nfs/dbraw/zinc/70/07/24/628700724.db2.gz CUAUUAFEYWBJIT-LBPRGKRZSA-N 1 1 296.330 3.021 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1cnc2ccsc2c1 ZINC000783300151 628700789 /nfs/dbraw/zinc/70/07/89/628700789.db2.gz IXMKHMBHUFJQDQ-LLVKDONJSA-N 1 1 294.383 3.414 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccc(OCOCC)cc1 ZINC000783478813 628716528 /nfs/dbraw/zinc/71/65/28/628716528.db2.gz XWCLCBVIRRFBJP-UHFFFAOYSA-N 1 1 263.381 3.457 20 30 CGEDMO C#CCCC[N@@H+]1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 ZINC000784354026 628808486 /nfs/dbraw/zinc/80/84/86/628808486.db2.gz TVQQJSJWHXYNHT-WMLDXEAASA-N 1 1 257.377 3.492 20 30 CGEDMO C[C@H](OC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccc(C#N)cc1 ZINC000785744949 628884236 /nfs/dbraw/zinc/88/42/36/628884236.db2.gz RFQXDAGFLGXZPL-MJBXVCDLSA-N 1 1 286.375 3.035 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000785998492 628906615 /nfs/dbraw/zinc/90/66/15/628906615.db2.gz GZMWQOILKDGNMQ-CABCVRRESA-N 1 1 294.439 3.284 20 30 CGEDMO C#CCC[N@H+](CCC)[C@H](C)C(=O)Nc1ccccc1C ZINC000786133830 628915593 /nfs/dbraw/zinc/91/55/93/628915593.db2.gz PNZFTZYWKLWGPC-OAHLLOKOSA-N 1 1 272.392 3.057 20 30 CGEDMO C=CCCC[N@H+](C)CN1C[C@H](CC(C)(C)C)CC1=O ZINC000787218771 629002404 /nfs/dbraw/zinc/00/24/04/629002404.db2.gz CTHJEWBQNYPXIB-AWEZNQCLSA-N 1 1 266.429 3.127 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000789424901 629132370 /nfs/dbraw/zinc/13/23/70/629132370.db2.gz LLZUVLGRAHLKGS-MRXNPFEDSA-N 1 1 286.419 3.225 20 30 CGEDMO C=C(C)C[N@H+](C/C=C(\C)C(=O)OC)Cc1ccccc1 ZINC000791567340 629289074 /nfs/dbraw/zinc/28/90/74/629289074.db2.gz XBMCPMCAMXCKRH-XNTDXEJSSA-N 1 1 273.376 3.184 20 30 CGEDMO C#C[C@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(Cl)cc1 ZINC000862370654 629354870 /nfs/dbraw/zinc/35/48/70/629354870.db2.gz PQPOHVIIWKEVQK-HOTGVXAUSA-N 1 1 290.838 3.477 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cc(Br)cs2)C1 ZINC000862442639 629375633 /nfs/dbraw/zinc/37/56/33/629375633.db2.gz DZKCDMRAFCCIAS-JTQLQIEISA-N 1 1 284.222 3.356 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000862443245 629375920 /nfs/dbraw/zinc/37/59/20/629375920.db2.gz MXPOTCZSPUCPMN-CYBMUJFWSA-N 1 1 297.320 3.473 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000862444094 629376741 /nfs/dbraw/zinc/37/67/41/629376741.db2.gz XOIACHICQUUCPY-CYBMUJFWSA-N 1 1 283.400 3.050 20 30 CGEDMO C#CC[C@H]1CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000862446648 629379272 /nfs/dbraw/zinc/37/92/72/629379272.db2.gz CCIWZNHJUSWSIJ-WVRJYTFGSA-N 1 1 268.404 3.111 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(C)cc2-c2ccnn2C)C1 ZINC000862447270 629380046 /nfs/dbraw/zinc/38/00/46/629380046.db2.gz KTSZIAUZIMZWIL-MRXNPFEDSA-N 1 1 293.414 3.241 20 30 CGEDMO C#CC[C@H]1CC[N@H+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC000862448337 629381111 /nfs/dbraw/zinc/38/11/11/629381111.db2.gz XJRBOCOCINYLKG-MFBWXBCUSA-N 1 1 261.315 3.323 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2c(C)nc3scc(C4CC4)n23)C1 ZINC000862448390 629381735 /nfs/dbraw/zinc/38/17/35/629381735.db2.gz XWZGFPMUFCWOSX-CYBMUJFWSA-N 1 1 299.443 3.427 20 30 CGEDMO C[N@H+]1CCC(N=Nc2ncccc2Cl)CC1(C)C ZINC000863081183 629468352 /nfs/dbraw/zinc/46/83/52/629468352.db2.gz AUDTWZNZALGQCY-UHFFFAOYSA-N 1 1 266.776 3.007 20 30 CGEDMO C#CCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000796355800 629770681 /nfs/dbraw/zinc/77/06/81/629770681.db2.gz GTXFHBKBUHBQHN-LJQANCHMSA-N 1 1 279.383 3.246 20 30 CGEDMO C#CC[N@H+](CCCOC(C)(C)C)Cc1ccccc1 ZINC000796640070 629808827 /nfs/dbraw/zinc/80/88/27/629808827.db2.gz FPRJTTQOWCAILZ-UHFFFAOYSA-N 1 1 259.393 3.327 20 30 CGEDMO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000797878510 629994989 /nfs/dbraw/zinc/99/49/89/629994989.db2.gz YNTMUGGVRMFALA-BONVTDFDSA-N 1 1 299.773 3.256 20 30 CGEDMO C=CCN1CCC([NH2+]Cc2nc(C(C)(C)C)cs2)CC1 ZINC000865454473 630131466 /nfs/dbraw/zinc/13/14/66/630131466.db2.gz ZQFXYNUNOYPPCC-UHFFFAOYSA-N 1 1 293.480 3.181 20 30 CGEDMO CCC[N@@H+](CCO[C@@H](C)C#N)[C@H](C)c1ccccc1OC ZINC000801913249 630364664 /nfs/dbraw/zinc/36/46/64/630364664.db2.gz BQIDCLDURRZLHG-LSDHHAIUSA-N 1 1 290.407 3.397 20 30 CGEDMO COc1ccccc1[C@@H]1CCCC[N@H+]1CCO[C@@H](C)C#N ZINC000801919019 630366462 /nfs/dbraw/zinc/36/64/62/630366462.db2.gz FWZUHYWUXLGEAO-HOCLYGCPSA-N 1 1 288.391 3.151 20 30 CGEDMO CCC[N@@H+](CCO[C@H](C)C#N)CCc1cccc(F)c1 ZINC000801922500 630367077 /nfs/dbraw/zinc/36/70/77/630367077.db2.gz WXTAIKUAEZQTIA-CQSZACIVSA-N 1 1 278.371 3.009 20 30 CGEDMO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](CCO[C@@H](C)C#N)C1 ZINC000801922789 630367143 /nfs/dbraw/zinc/36/71/43/630367143.db2.gz OPTSAWHKDYNBKH-OWCLPIDISA-N 1 1 272.392 3.102 20 30 CGEDMO CC[C@H](Cc1ccccc1)[N@@H+](CC)CCO[C@H](C)C#N ZINC000801927707 630368509 /nfs/dbraw/zinc/36/85/09/630368509.db2.gz ZAQTWOILFUSZIX-NVXWUHKLSA-N 1 1 274.408 3.258 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+]1[C@H](C)c2ccc(F)cc2C[C@@H]1C ZINC000801940989 630372181 /nfs/dbraw/zinc/37/21/81/630372181.db2.gz VRALBANZBNEIEZ-YNEHKIRRSA-N 1 1 276.355 3.062 20 30 CGEDMO C=CC[C@H](C)[N@@H+](C)Cc1nc([C@@H](C)SCC)no1 ZINC000878197685 635410581 /nfs/dbraw/zinc/41/05/81/635410581.db2.gz JZOXYWXZTIUKIO-WDEREUQCSA-N 1 1 269.414 3.280 20 30 CGEDMO C=CC[C@H](C)[N@H+](C)Cc1nc([C@@H](C)SCC)no1 ZINC000878197685 635410588 /nfs/dbraw/zinc/41/05/88/635410588.db2.gz JZOXYWXZTIUKIO-WDEREUQCSA-N 1 1 269.414 3.280 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCCC[C@@H](SC)C2)cc1 ZINC000809595672 630756827 /nfs/dbraw/zinc/75/68/27/630756827.db2.gz OXALUOBJDYKWRY-MRXNPFEDSA-N 1 1 259.418 3.385 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCc2ccc(C(C)=O)cc2CC1 ZINC000878302599 635451392 /nfs/dbraw/zinc/45/13/92/635451392.db2.gz SHDVHKOSYNENGV-ZDUSSCGKSA-N 1 1 257.377 3.254 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)cc1 ZINC000809656987 630777566 /nfs/dbraw/zinc/77/75/66/630777566.db2.gz QRYTVCKYMXNTNR-SMDDNHRTSA-N 1 1 267.294 3.441 20 30 CGEDMO C#C[C@H]([NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1)C(C)C ZINC000809684416 630779332 /nfs/dbraw/zinc/77/93/32/630779332.db2.gz BEYMDRCHAPJCQL-NEWSRXKRSA-N 1 1 284.447 3.144 20 30 CGEDMO C#C[C@@H]([NH2+][C@H](C)COCC)c1ccc(Cl)cc1F ZINC000809698218 630784292 /nfs/dbraw/zinc/78/42/92/630784292.db2.gz BWKULCJKYYNNNW-QMTHXVAHSA-N 1 1 269.747 3.168 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1cccc(C)c1O ZINC000809716760 630789970 /nfs/dbraw/zinc/78/99/70/630789970.db2.gz RXJAFXBRNPEWKS-UHFFFAOYSA-N 1 1 265.356 3.336 20 30 CGEDMO C#C[C@H]([NH2+]Cc1ncc(C(C)C)s1)C(C)(C)C ZINC000809781276 630806520 /nfs/dbraw/zinc/80/65/20/630806520.db2.gz MZJGBCKLBHUJAV-LBPRGKRZSA-N 1 1 250.411 3.404 20 30 CGEDMO C=CC[C@@H](C(=O)O[C@@H](C)Cn1cc[nH+]c1C)c1ccccc1 ZINC000810613004 630905176 /nfs/dbraw/zinc/90/51/76/630905176.db2.gz MDWPENLSFVNXON-WMLDXEAASA-N 1 1 298.386 3.483 20 30 CGEDMO C[C@H]1C(=NO[C@@H]2CCCCO2)CC[N@H+]1Cc1ccccc1 ZINC000811646175 631096692 /nfs/dbraw/zinc/09/66/92/631096692.db2.gz NRYNNJOLXHMNBE-WMLDXEAASA-N 1 1 288.391 3.180 20 30 CGEDMO C[C@H]1C(=NO[C@@H]2CCCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000811646175 631096697 /nfs/dbraw/zinc/09/66/97/631096697.db2.gz NRYNNJOLXHMNBE-WMLDXEAASA-N 1 1 288.391 3.180 20 30 CGEDMO C[C@H]1C(N=Nc2ncccc2F)CC[N@H+]1Cc1ccccc1 ZINC000811650148 631098480 /nfs/dbraw/zinc/09/84/80/631098480.db2.gz NDWJRJYQKHUHIW-ZDUSSCGKSA-N 1 1 298.365 3.283 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000878711649 635613383 /nfs/dbraw/zinc/61/33/83/635613383.db2.gz MKJMJLPLQIWBOF-CXAGYDPISA-N 1 1 271.360 3.061 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC1=NOC1CCC1 ZINC000812237024 631227588 /nfs/dbraw/zinc/22/75/88/631227588.db2.gz GVDUHDUFPYOUAL-CYBMUJFWSA-N 1 1 258.365 3.063 20 30 CGEDMO CC[N@H+](Cc1cc(Cl)ccc1OCC#N)C[C@H](C)OC ZINC000812908164 631330857 /nfs/dbraw/zinc/33/08/57/631330857.db2.gz BVJKLGPIUSBVDH-LBPRGKRZSA-N 1 1 296.798 3.099 20 30 CGEDMO C=CCC(C)(C)COC(=O)[C@H]1CCCC[N@H+]1CC ZINC000814005119 631506794 /nfs/dbraw/zinc/50/67/94/631506794.db2.gz JQWSERKLOYEDMM-CYBMUJFWSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CCC(C)(C)COC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000814005119 631506798 /nfs/dbraw/zinc/50/67/98/631506798.db2.gz JQWSERKLOYEDMM-CYBMUJFWSA-N 1 1 253.386 3.006 20 30 CGEDMO CC(C)(C#N)[C@@H]1CCCC1=[NH+]n1cc(Br)cn1 ZINC000814884370 631665172 /nfs/dbraw/zinc/66/51/72/631665172.db2.gz IVYPFMUDXSLGCW-SNVBAGLBSA-N 1 1 295.184 3.200 20 30 CGEDMO CC1(C)CC(=[NH+]OC2CCC2)c2cc(N)ccc2O1 ZINC000814936246 631690731 /nfs/dbraw/zinc/69/07/31/631690731.db2.gz GSYQTAFVYIGNTJ-UHFFFAOYSA-N 1 1 260.337 3.103 20 30 CGEDMO C[C@@]1(C#N)CCC[N@H+](C[C@@H](O)c2cc3ccccc3o2)C1 ZINC000815091242 631714972 /nfs/dbraw/zinc/71/49/72/631714972.db2.gz OFMMSMKKONCEDN-PBHICJAKSA-N 1 1 284.359 3.092 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](C[C@@H](O)c2cc3ccccc3o2)C1 ZINC000815091242 631714975 /nfs/dbraw/zinc/71/49/75/631714975.db2.gz OFMMSMKKONCEDN-PBHICJAKSA-N 1 1 284.359 3.092 20 30 CGEDMO C=C(C)CCOC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000815444036 631780378 /nfs/dbraw/zinc/78/03/78/631780378.db2.gz QICVXFQAPXYHJM-HNNXBMFYSA-N 1 1 265.397 3.293 20 30 CGEDMO C[C@@H]([NH2+]CCCC#N)c1cccc(C(F)(F)F)c1O ZINC000815615059 631805644 /nfs/dbraw/zinc/80/56/44/631805644.db2.gz HCYXUSKPJIVCOA-SECBINFHSA-N 1 1 272.270 3.365 20 30 CGEDMO C#CC[N@@H+](C)CCCN[C@H](C)c1cc2ccc(C)cc2o1 ZINC000815651828 631814413 /nfs/dbraw/zinc/81/44/13/631814413.db2.gz FKBWPICVRFGHHZ-OAHLLOKOSA-N 1 1 284.403 3.347 20 30 CGEDMO C#CC[N@H+](C)CCCN[C@H](C)c1cc2ccc(C)cc2o1 ZINC000815651828 631814415 /nfs/dbraw/zinc/81/44/15/631814415.db2.gz FKBWPICVRFGHHZ-OAHLLOKOSA-N 1 1 284.403 3.347 20 30 CGEDMO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816598476 632021824 /nfs/dbraw/zinc/02/18/24/632021824.db2.gz DSHQIATYKKBCIU-BMIGLBTASA-N 1 1 299.773 3.256 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C(C)(C)C ZINC000816612074 632023224 /nfs/dbraw/zinc/02/32/24/632023224.db2.gz FQDFOCWQSFVVBI-CYBMUJFWSA-N 1 1 269.747 3.322 20 30 CGEDMO CC(C)c1noc([C@@H](C)[N@H+](C)CCc2cccc(C#N)c2)n1 ZINC000879435235 635787211 /nfs/dbraw/zinc/78/72/11/635787211.db2.gz XDTDEORNEREYMI-CYBMUJFWSA-N 1 1 298.390 3.300 20 30 CGEDMO CC(C)c1noc([C@@H](C)[N@@H+](C)CCc2cccc(C#N)c2)n1 ZINC000879435235 635787216 /nfs/dbraw/zinc/78/72/16/635787216.db2.gz XDTDEORNEREYMI-CYBMUJFWSA-N 1 1 298.390 3.300 20 30 CGEDMO CCCCCCCC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000818170183 632293832 /nfs/dbraw/zinc/29/38/32/632293832.db2.gz MAIWODBECHPUBJ-QGZVFWFLSA-N 1 1 280.456 3.291 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)C[C@](C)(O)c2ccccc2)cc1 ZINC000822517455 632956845 /nfs/dbraw/zinc/95/68/45/632956845.db2.gz XWRJTVFKYSZJNQ-IBGZPJMESA-N 1 1 279.383 3.007 20 30 CGEDMO C[C@@H]1CCC[C@@H](c2noc([C@H]([NH3+])CCCC#N)n2)C1 ZINC000822760877 633018192 /nfs/dbraw/zinc/01/81/92/633018192.db2.gz SPWBSJWATGNRNA-IJLUTSLNSA-N 1 1 262.357 3.057 20 30 CGEDMO C[N@@H+]1Cc2ccccc2[C@@H]1CNc1ccc(Cl)c(C#N)n1 ZINC000866194274 633023842 /nfs/dbraw/zinc/02/38/42/633023842.db2.gz HMBFFTWIVFCQQD-HNNXBMFYSA-N 1 1 298.777 3.205 20 30 CGEDMO C[N@H+]1Cc2ccccc2[C@@H]1CNc1ccc(Cl)c(C#N)n1 ZINC000866194274 633023845 /nfs/dbraw/zinc/02/38/45/633023845.db2.gz HMBFFTWIVFCQQD-HNNXBMFYSA-N 1 1 298.777 3.205 20 30 CGEDMO CC(C)(c1noc([C@H]([NH3+])CCCC#N)n1)c1ccccc1 ZINC000823074553 633055970 /nfs/dbraw/zinc/05/59/70/633055970.db2.gz DIIQFXPBBYSOQV-CYBMUJFWSA-N 1 1 284.363 3.089 20 30 CGEDMO C#CCNC(=O)CC[N@H+]([C@@H](C)c1ccccc1)C1CCCC1 ZINC000823110321 633061634 /nfs/dbraw/zinc/06/16/34/633061634.db2.gz QDLUJMZETOCOED-INIZCTEOSA-N 1 1 298.430 3.132 20 30 CGEDMO Cc1ccc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)nc1C ZINC000866373382 633109288 /nfs/dbraw/zinc/10/92/88/633109288.db2.gz XCACPRAJQUDEGW-ZDUSSCGKSA-N 1 1 281.359 3.127 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1cc2ccccc2c(OC)c1 ZINC000824297128 633225984 /nfs/dbraw/zinc/22/59/84/633225984.db2.gz PZGBODHPWQTWGX-CYBMUJFWSA-N 1 1 253.345 3.302 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000880189816 635932611 /nfs/dbraw/zinc/93/26/11/635932611.db2.gz RSZAWDPUOIAUKC-IRXDYDNUSA-N 1 1 283.419 3.279 20 30 CGEDMO N#CC[C@@H]1CC[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000824691142 633273433 /nfs/dbraw/zinc/27/34/33/633273433.db2.gz VGJQSRGLESUGAF-UWVGGRQHSA-N 1 1 282.746 3.357 20 30 CGEDMO C#CCCOc1ccc(C[NH2+][C@H]2C[C@@H](C)n3ccnc32)cc1 ZINC000825017819 633318691 /nfs/dbraw/zinc/31/86/91/633318691.db2.gz ZAURYALZZCVKNO-PBHICJAKSA-N 1 1 295.386 3.081 20 30 CGEDMO C[C@H]([N@@H+](C)Cc1cc(C#N)cnc1Cl)C(C)(C)C ZINC000876598910 634865254 /nfs/dbraw/zinc/86/52/54/634865254.db2.gz RLNOPJWQYZATFB-JTQLQIEISA-N 1 1 265.788 3.473 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CCCC[C@@H]2COC)cc1 ZINC000825294799 633342616 /nfs/dbraw/zinc/34/26/16/633342616.db2.gz ZDECVUREZQTQOC-QGZVFWFLSA-N 1 1 287.403 3.090 20 30 CGEDMO C#CC[C@H]1CCCN(c2cc[nH+]cc2Br)C1 ZINC000826586127 633419247 /nfs/dbraw/zinc/41/92/47/633419247.db2.gz YCMIMJBLZVMRGH-NSHDSACASA-N 1 1 279.181 3.084 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2ccc(/C=C/C(=O)OC)o2)C1 ZINC000826946514 633445289 /nfs/dbraw/zinc/44/52/89/633445289.db2.gz IOMUPOLPRLGTCO-HBWSCVEGSA-N 1 1 289.375 3.254 20 30 CGEDMO C#CC[N@H+](CCCc1cc(CC)no1)C1CCCCC1 ZINC000827516329 633496131 /nfs/dbraw/zinc/49/61/31/633496131.db2.gz RKURZXPVXMTDFH-UHFFFAOYSA-N 1 1 274.408 3.438 20 30 CGEDMO CCC[N@H+](Cc1ccccc1O)Cc1ccncc1C#N ZINC000827958814 633540632 /nfs/dbraw/zinc/54/06/32/633540632.db2.gz CEZKJFXWBVRUFQ-UHFFFAOYSA-N 1 1 281.359 3.071 20 30 CGEDMO CCC[N@@H+](Cc1ccccc1O)Cc1ccncc1C#N ZINC000827958814 633540636 /nfs/dbraw/zinc/54/06/36/633540636.db2.gz CEZKJFXWBVRUFQ-UHFFFAOYSA-N 1 1 281.359 3.071 20 30 CGEDMO CC(C)CC1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000828003230 633546982 /nfs/dbraw/zinc/54/69/82/633546982.db2.gz FTDVFJHDICLDPK-UHFFFAOYSA-N 1 1 257.381 3.211 20 30 CGEDMO CCCCCCC[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000829285186 633720804 /nfs/dbraw/zinc/72/08/04/633720804.db2.gz ANSWTNIPHZLJKW-AWEZNQCLSA-N 1 1 257.443 3.165 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000829773456 633781243 /nfs/dbraw/zinc/78/12/43/633781243.db2.gz FCNNFHAXPCTRDI-HNNXBMFYSA-N 1 1 277.371 3.046 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2)C1 ZINC000829784390 633781892 /nfs/dbraw/zinc/78/18/92/633781892.db2.gz IWJYXGFFHQQXQJ-ZDUSSCGKSA-N 1 1 290.794 3.014 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000829784431 633782755 /nfs/dbraw/zinc/78/27/55/633782755.db2.gz KBZVRMCSKNQGLQ-HNNXBMFYSA-N 1 1 297.377 3.247 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](CC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000829789036 633784567 /nfs/dbraw/zinc/78/45/67/633784567.db2.gz MGIBPMHLCDAHIP-KRWDZBQOSA-N 1 1 298.430 3.286 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000829805679 633789912 /nfs/dbraw/zinc/78/99/12/633789912.db2.gz VZZBBXBDQQPRRD-KRWDZBQOSA-N 1 1 293.414 3.167 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ncccc2C(F)(F)F)C1 ZINC000829809692 633792513 /nfs/dbraw/zinc/79/25/13/633792513.db2.gz DWBMTOZSFZEVTQ-LBPRGKRZSA-N 1 1 282.309 3.336 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](CC/C=C/c2cncc(OC)c2)C1 ZINC000829814935 633795084 /nfs/dbraw/zinc/79/50/84/633795084.db2.gz CJSWKAJGUMSHFD-YCOJEUHLSA-N 1 1 284.403 3.229 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](CCCCC2CCOCC2)C1 ZINC000829815330 633795766 /nfs/dbraw/zinc/79/57/66/633795766.db2.gz KABFZFCKPJXDBA-QGZVFWFLSA-N 1 1 263.425 3.319 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CC[C@@H]([C@H]2CCCC2(C)C)C1 ZINC000830178059 633836170 /nfs/dbraw/zinc/83/61/70/633836170.db2.gz UVEQHFJNVQWLGK-RBSFLKMASA-N 1 1 264.413 3.063 20 30 CGEDMO Cc1ccccc1CC[N@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000830389113 633859113 /nfs/dbraw/zinc/85/91/13/633859113.db2.gz YPLCGXSHOLKERP-IBGZPJMESA-N 1 1 294.398 3.075 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872279435 634098506 /nfs/dbraw/zinc/09/85/06/634098506.db2.gz FWCYZPJRMCCYAV-HNNXBMFYSA-N 1 1 264.413 3.350 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)[C@H]1C(C)C ZINC000834387241 634158771 /nfs/dbraw/zinc/15/87/71/634158771.db2.gz DLLCWGNDBFXVPC-BZSNNMDCSA-N 1 1 286.419 3.204 20 30 CGEDMO CCC1CC[NH+](Cc2cc(C#N)cnc2Cl)CC1 ZINC000876626066 634871269 /nfs/dbraw/zinc/87/12/69/634871269.db2.gz NMYLFYJEIZKULA-UHFFFAOYSA-N 1 1 263.772 3.229 20 30 CGEDMO CC[N@@H+](C[C@@H](C)CCC#N)C[C@@H](O)c1ccc(C)cc1 ZINC000876763361 634894924 /nfs/dbraw/zinc/89/49/24/634894924.db2.gz DVZYODZCOSYIDZ-DOTOQJQBSA-N 1 1 274.408 3.290 20 30 CGEDMO CC[C@H](C)C[N@@H+](CC)Cc1cc(C#N)cnc1Cl ZINC000876791370 634899330 /nfs/dbraw/zinc/89/93/30/634899330.db2.gz LFJTVKSPCRCFQT-NSHDSACASA-N 1 1 265.788 3.475 20 30 CGEDMO CC(C)[C@H]1CC[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876806722 634901636 /nfs/dbraw/zinc/90/16/36/634901636.db2.gz SLRZFTKYKJFUJE-LBPRGKRZSA-N 1 1 263.772 3.085 20 30 CGEDMO C#CCCCCCC[NH2+]C1(c2noc(C)n2)CCCC1 ZINC000877002048 634948028 /nfs/dbraw/zinc/94/80/28/634948028.db2.gz OBXDGQFPBWQHBV-UHFFFAOYSA-N 1 1 275.396 3.321 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@@H]1COC(=O)c1cscc1C#N ZINC000837743733 634978198 /nfs/dbraw/zinc/97/81/98/634978198.db2.gz FSTMKYKAXCOFGK-CYBMUJFWSA-N 1 1 292.404 3.039 20 30 CGEDMO N#Cc1cnc(Cl)c(CNc2cccc(C3CC3)[nH+]2)c1 ZINC000877551148 635085849 /nfs/dbraw/zinc/08/58/49/635085849.db2.gz WVXBNNRVWBDJEV-UHFFFAOYSA-N 1 1 284.750 3.491 20 30 CGEDMO N#Cc1cnc(Cl)c(C[N@@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)c1 ZINC000877568049 635095272 /nfs/dbraw/zinc/09/52/72/635095272.db2.gz FORCBNMHFQARJG-LSDHHAIUSA-N 1 1 287.794 3.227 20 30 CGEDMO N#Cc1cnc(Cl)c(C[N@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)c1 ZINC000877568049 635095276 /nfs/dbraw/zinc/09/52/76/635095276.db2.gz FORCBNMHFQARJG-LSDHHAIUSA-N 1 1 287.794 3.227 20 30 CGEDMO C#CCCCCCC[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000877604706 635108352 /nfs/dbraw/zinc/10/83/52/635108352.db2.gz PDSYABKXGNOPFQ-QGZVFWFLSA-N 1 1 256.393 3.455 20 30 CGEDMO COCc1ccc(C[N@@H+](C)CCc2cccc(C#N)c2)cc1 ZINC000877703813 635154908 /nfs/dbraw/zinc/15/49/08/635154908.db2.gz DXBVOOOJVXWYTE-UHFFFAOYSA-N 1 1 294.398 3.379 20 30 CGEDMO C[N@@H+](CCCc1ccccc1)C[C@H](O)c1cccc(C#N)c1 ZINC000841494030 635186669 /nfs/dbraw/zinc/18/66/69/635186669.db2.gz YVDGAQNVRRALGX-IBGZPJMESA-N 1 1 294.398 3.156 20 30 CGEDMO C=CCNN=C1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000841637533 635205524 /nfs/dbraw/zinc/20/55/24/635205524.db2.gz ISUIZEZEGPVVNL-QGZVFWFLSA-N 1 1 269.392 3.118 20 30 CGEDMO Cc1csc([C@H]2CC[N@@H+](Cc3cc(C#N)cs3)C2)n1 ZINC000877812469 635216398 /nfs/dbraw/zinc/21/63/98/635216398.db2.gz ANBCSRHIHRSNBB-LBPRGKRZSA-N 1 1 289.429 3.374 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC[C@H](c3nc(C)cs3)C2)cc1 ZINC000877813718 635221064 /nfs/dbraw/zinc/22/10/64/635221064.db2.gz JRXPXPGZRSYVDX-INIZCTEOSA-N 1 1 282.412 3.422 20 30 CGEDMO C[C@H]1C[N@H+](Cc2cccc(C#N)c2)CC[C@@H](C(F)(F)F)O1 ZINC000877823811 635228003 /nfs/dbraw/zinc/22/80/03/635228003.db2.gz NLOYMMHRFGAIHR-FZMZJTMJSA-N 1 1 298.308 3.100 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@@H](C(F)(F)F)O1 ZINC000877823811 635228007 /nfs/dbraw/zinc/22/80/07/635228007.db2.gz NLOYMMHRFGAIHR-FZMZJTMJSA-N 1 1 298.308 3.100 20 30 CGEDMO CCOCc1cc(C[NH2+]CC2(C#N)CCC2)ccc1OC ZINC000841898603 635250453 /nfs/dbraw/zinc/25/04/53/635250453.db2.gz OYYFNBCLZBXFJD-UHFFFAOYSA-N 1 1 288.391 3.015 20 30 CGEDMO C[C@@H](C#N)C[N@H+](C)CCc1ccccc1Br ZINC000878034149 635330752 /nfs/dbraw/zinc/33/07/52/635330752.db2.gz ABSJMCGSVGYXGP-NSHDSACASA-N 1 1 281.197 3.083 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C)CCc1ccccc1Br ZINC000878034149 635330758 /nfs/dbraw/zinc/33/07/58/635330758.db2.gz ABSJMCGSVGYXGP-NSHDSACASA-N 1 1 281.197 3.083 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@H+]1C[C@H](C)C[C@@H]1C)c1ccccc1 ZINC000878126493 635367678 /nfs/dbraw/zinc/36/76/78/635367678.db2.gz QAFFZSIVPUFBLR-RVKKMQEKSA-N 1 1 284.403 3.157 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000878384391 635482800 /nfs/dbraw/zinc/48/28/00/635482800.db2.gz KTMKUMWKQLMKMK-BFHYXJOUSA-N 1 1 282.428 3.186 20 30 CGEDMO CC[C@H](C(=O)Nc1ccc(C)cc1)[NH+]1CCC(C)(C#N)CC1 ZINC000878389299 635484784 /nfs/dbraw/zinc/48/47/84/635484784.db2.gz CMEJFAFOTPHWGN-MRXNPFEDSA-N 1 1 299.418 3.338 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1csc(-c2ccn(C)n2)n1 ZINC000878523333 635542200 /nfs/dbraw/zinc/54/22/00/635542200.db2.gz AXUAQLSNUMFESS-ZDUSSCGKSA-N 1 1 288.420 3.084 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1csc(-c2ccn(C)n2)n1 ZINC000878523333 635542210 /nfs/dbraw/zinc/54/22/10/635542210.db2.gz AXUAQLSNUMFESS-ZDUSSCGKSA-N 1 1 288.420 3.084 20 30 CGEDMO C=CC[C@@H](C)[N@@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000878607170 635568134 /nfs/dbraw/zinc/56/81/34/635568134.db2.gz TVJIYKPMDPOTSV-CYBMUJFWSA-N 1 1 271.364 3.176 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CC[C@@H](OC(C)C)C2)cc1 ZINC000843412988 635661752 /nfs/dbraw/zinc/66/17/52/635661752.db2.gz CROADEAULPSGDB-GOSISDBHSA-N 1 1 287.403 3.088 20 30 CGEDMO C#Cc1cccc(N(CC)CCCn2cc[nH+]c2C)c1 ZINC000127428966 635661844 /nfs/dbraw/zinc/66/18/44/635661844.db2.gz WKQCGJGEWVULTQ-UHFFFAOYSA-N 1 1 267.376 3.089 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cccc(OCC)c2)C1 ZINC000843423253 635666281 /nfs/dbraw/zinc/66/62/81/635666281.db2.gz AWJKBXKRTIGLEZ-HNNXBMFYSA-N 1 1 257.377 3.321 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000843423456 635666663 /nfs/dbraw/zinc/66/66/63/635666663.db2.gz DUQMIJZYESMPHS-LBPRGKRZSA-N 1 1 293.794 3.290 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2CC)C1 ZINC000843424109 635668474 /nfs/dbraw/zinc/66/84/74/635668474.db2.gz NYWKIIIUXMAVTJ-OAHLLOKOSA-N 1 1 281.403 3.292 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000843424491 635668940 /nfs/dbraw/zinc/66/89/40/635668940.db2.gz UWYQWVPLTKTAHJ-OAHLLOKOSA-N 1 1 264.372 3.470 20 30 CGEDMO C=C(CC)C[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000879216525 635728085 /nfs/dbraw/zinc/72/80/85/635728085.db2.gz XSILOLBLNXZORK-ZIAGYGMSSA-N 1 1 282.428 3.045 20 30 CGEDMO C#C[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000843968050 635802820 /nfs/dbraw/zinc/80/28/20/635802820.db2.gz RUMVHOITDFZSIB-SFHVURJKSA-N 1 1 298.430 3.132 20 30 CGEDMO C#CCCCCC[N@@H+]1CCO[C@H](c2ccccc2OC)C1 ZINC000879629296 635822457 /nfs/dbraw/zinc/82/24/57/635822457.db2.gz LBOBYOUOXGNMFG-SFHVURJKSA-N 1 1 287.403 3.262 20 30 CGEDMO C#CCCCCC[N@H+]1CCO[C@H](c2ccccc2OC)C1 ZINC000879629296 635822460 /nfs/dbraw/zinc/82/24/60/635822460.db2.gz LBOBYOUOXGNMFG-SFHVURJKSA-N 1 1 287.403 3.262 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CCC[C@@H](c2ccccc2OC)CC1 ZINC000879730966 635845793 /nfs/dbraw/zinc/84/57/93/635845793.db2.gz GJAMWKRDKPEPJU-WBVHZDCISA-N 1 1 289.419 3.202 20 30 CGEDMO N#CCc1ccc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)cc1 ZINC000844439776 635902462 /nfs/dbraw/zinc/90/24/62/635902462.db2.gz KARYXJHHOQNHMP-HNNXBMFYSA-N 1 1 276.330 3.374 20 30 CGEDMO N#CCOc1ccc(Cl)cc1C[NH+]1CCC(F)CC1 ZINC000880241742 635950723 /nfs/dbraw/zinc/95/07/23/635950723.db2.gz HZAFGSJQRWABJR-UHFFFAOYSA-N 1 1 282.746 3.176 20 30 CGEDMO C[C@H](c1ccccc1)N1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000880251056 635956829 /nfs/dbraw/zinc/95/68/29/635956829.db2.gz POTUESWXFNEDEM-RYRKJORJSA-N 1 1 283.419 3.057 20 30 CGEDMO CO[C@@]1(C(F)(F)F)CC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000880302618 635970658 /nfs/dbraw/zinc/97/06/58/635970658.db2.gz JGHWKJWSXKFYIH-RISCZKNCSA-N 1 1 298.308 3.272 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CC[C@@H](c3nccs3)C2)cc1 ZINC000880317372 635973696 /nfs/dbraw/zinc/97/36/96/635973696.db2.gz NJESGVAXCOSHOJ-CQSZACIVSA-N 1 1 299.399 3.035 20 30 CGEDMO C[C@@H]1c2sccc2CC[N@@H+]1CCCSCC#N ZINC000880377983 635989205 /nfs/dbraw/zinc/98/92/05/635989205.db2.gz KPUYOTTYNWVLMJ-LLVKDONJSA-N 1 1 266.435 3.314 20 30 CGEDMO N#CCCOCC[N@H+]1CCCSC[C@@H]1c1ccccc1 ZINC000880388222 635991198 /nfs/dbraw/zinc/99/11/98/635991198.db2.gz KGWXCBZXCKIPDG-MRXNPFEDSA-N 1 1 290.432 3.097 20 30 CGEDMO N#CCCC[N@H+]1CCCSC[C@H]1c1ccccc1 ZINC000880387663 635991271 /nfs/dbraw/zinc/99/12/71/635991271.db2.gz TYLJPIQKASQWCV-HNNXBMFYSA-N 1 1 260.406 3.470 20 30 CGEDMO CC[N@H+](Cc1ccc(F)cc1C#N)[C@H](CO)c1ccccc1 ZINC000880461223 636004579 /nfs/dbraw/zinc/00/45/79/636004579.db2.gz GXGVRIPXZAQBFV-GOSISDBHSA-N 1 1 298.361 3.253 20 30 CGEDMO CC[N@@H+](Cc1ccc(F)cc1C#N)[C@H](CO)c1ccccc1 ZINC000880461223 636004583 /nfs/dbraw/zinc/00/45/83/636004583.db2.gz GXGVRIPXZAQBFV-GOSISDBHSA-N 1 1 298.361 3.253 20 30 CGEDMO CC[N@@H+](CCc1ccc(C#N)cc1)[C@@H](CO)c1ccccc1 ZINC000880463290 636005471 /nfs/dbraw/zinc/00/54/71/636005471.db2.gz PFUXTAPQGQRXJH-IBGZPJMESA-N 1 1 294.398 3.156 20 30 CGEDMO C#CCC1(O)CC[NH+]([C@@H](C)c2cccc(Cl)c2F)CC1 ZINC000880483930 636009130 /nfs/dbraw/zinc/00/91/30/636009130.db2.gz NBWAKQDHGUEQIS-LBPRGKRZSA-N 1 1 295.785 3.390 20 30 CGEDMO C=C(C)CCn1cc(C[NH2+][C@@H]2CCCc3ccccc32)nn1 ZINC000881310477 636095686 /nfs/dbraw/zinc/09/56/86/636095686.db2.gz JOYJNKYKAUEEGE-GOSISDBHSA-N 1 1 296.418 3.412 20 30 CGEDMO C[C@@H]1CCCC[C@H]1C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000846006151 636128375 /nfs/dbraw/zinc/12/83/75/636128375.db2.gz GQQYIQCVGHAAQN-FHLIZLRMSA-N 1 1 286.419 3.350 20 30 CGEDMO C=CCCn1cc(C[N@H+](CCc2ccccc2)C2CC2)nn1 ZINC000846781786 636240263 /nfs/dbraw/zinc/24/02/63/636240263.db2.gz LSUDTRSYGYPMJX-UHFFFAOYSA-N 1 1 296.418 3.061 20 30 CGEDMO C=CCCn1cc(C[N@@H+](CCc2ccccc2)C2CC2)nn1 ZINC000846781786 636240265 /nfs/dbraw/zinc/24/02/65/636240265.db2.gz LSUDTRSYGYPMJX-UHFFFAOYSA-N 1 1 296.418 3.061 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000847019645 636312594 /nfs/dbraw/zinc/31/25/94/636312594.db2.gz RZNZOKUWAATPKQ-CQSZACIVSA-N 1 1 250.345 3.080 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2nc3cc(F)ccc3n2CC)C1 ZINC000847020219 636312829 /nfs/dbraw/zinc/31/28/29/636312829.db2.gz AEUDRODZJSIVTN-CYBMUJFWSA-N 1 1 285.366 3.041 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2nc3cc(F)ccc3n2CC)C1 ZINC000847020219 636312834 /nfs/dbraw/zinc/31/28/34/636312834.db2.gz AEUDRODZJSIVTN-CYBMUJFWSA-N 1 1 285.366 3.041 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ncc(-c3ccc(OC)cc3)o2)C1 ZINC000847022696 636313397 /nfs/dbraw/zinc/31/33/97/636313397.db2.gz JFARDLCIOCFNPW-AWEZNQCLSA-N 1 1 296.370 3.195 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ncc(-c3ccc(OC)cc3)o2)C1 ZINC000847022696 636313404 /nfs/dbraw/zinc/31/34/04/636313404.db2.gz JFARDLCIOCFNPW-AWEZNQCLSA-N 1 1 296.370 3.195 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cccc(OC(C)C)c2)C1 ZINC000847021865 636314152 /nfs/dbraw/zinc/31/41/52/636314152.db2.gz CDXBMMUUEQEXSF-OAHLLOKOSA-N 1 1 257.377 3.319 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000847022732 636314327 /nfs/dbraw/zinc/31/43/27/636314327.db2.gz JNGNOKZATNQBPN-OAHLLOKOSA-N 1 1 295.386 3.014 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000847023642 636314893 /nfs/dbraw/zinc/31/48/93/636314893.db2.gz NGHYSNUNWDLMAD-IUODEOHRSA-N 1 1 297.320 3.084 20 30 CGEDMO C#C[C@H]1CCC[N@@H+]([C@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC000847024693 636315331 /nfs/dbraw/zinc/31/53/31/636315331.db2.gz KNRBHUWTCKMIER-OLZOCXBDSA-N 1 1 260.381 3.378 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC000847024693 636315336 /nfs/dbraw/zinc/31/53/36/636315336.db2.gz KNRBHUWTCKMIER-OLZOCXBDSA-N 1 1 260.381 3.378 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+]([C@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC000847024691 636315442 /nfs/dbraw/zinc/31/54/42/636315442.db2.gz KNRBHUWTCKMIER-CHWSQXEVSA-N 1 1 260.381 3.378 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC000847024691 636315444 /nfs/dbraw/zinc/31/54/44/636315444.db2.gz KNRBHUWTCKMIER-CHWSQXEVSA-N 1 1 260.381 3.378 20 30 CGEDMO C#C[C@H]1CCC[N@H+](CC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000847024995 636317068 /nfs/dbraw/zinc/31/70/68/636317068.db2.gz AWOKSAFORFPTIM-ISOUWHGUSA-N 1 1 285.431 3.117 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000847026577 636317168 /nfs/dbraw/zinc/31/71/68/636317168.db2.gz QBQHCYIGQJAWGK-AWEZNQCLSA-N 1 1 250.345 3.080 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000847029204 636317934 /nfs/dbraw/zinc/31/79/34/636317934.db2.gz LSGXRSTZFBFZHE-CQSZACIVSA-N 1 1 266.344 3.187 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000847029204 636317942 /nfs/dbraw/zinc/31/79/42/636317942.db2.gz LSGXRSTZFBFZHE-CQSZACIVSA-N 1 1 266.344 3.187 20 30 CGEDMO C=CC[C@@H]([NH2+]Cc1nc(C(C)C)c[nH]1)c1ccncc1 ZINC000883003643 636503043 /nfs/dbraw/zinc/50/30/43/636503043.db2.gz YWCVAIMJGZIEAJ-CQSZACIVSA-N 1 1 270.380 3.335 20 30 CGEDMO Clc1cccnc1N=NC1CCC[N@H+]2CCCC[C@H]12 ZINC000848402478 636567286 /nfs/dbraw/zinc/56/72/86/636567286.db2.gz BCOQADPWWWZHPQ-CYBMUJFWSA-N 1 1 278.787 3.151 20 30 CGEDMO C[NH+](C)[C@@H]1CCC[C@H](NCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000848541308 636597525 /nfs/dbraw/zinc/59/75/25/636597525.db2.gz WMMQABXARYTXOR-ZWKOTPCHSA-N 1 1 299.462 3.450 20 30 CGEDMO N#Cc1sc(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)nc1Cl ZINC000848785272 636657738 /nfs/dbraw/zinc/65/77/38/636657738.db2.gz KDCXTRFPYJAPJG-ZJUUUORDSA-N 1 1 296.827 3.097 20 30 CGEDMO N#Cc1cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1C1CC1 ZINC000883337532 636684292 /nfs/dbraw/zinc/68/42/92/636684292.db2.gz IBONQGDUKORUIV-DLBZAZTESA-N 1 1 281.403 3.474 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000848922983 636694126 /nfs/dbraw/zinc/69/41/26/636694126.db2.gz AUBDAEPOIRVUEN-LBPRGKRZSA-N 1 1 295.329 3.142 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(SC)s2)C1 ZINC000848924337 636695766 /nfs/dbraw/zinc/69/57/66/636695766.db2.gz QFCFQHMATYKIBF-NSHDSACASA-N 1 1 251.420 3.315 20 30 CGEDMO CCCCCCC[NH2+]Cc1ccnn1-c1ccncc1 ZINC000850012076 636928225 /nfs/dbraw/zinc/92/82/25/636928225.db2.gz CFALMNFXHRAFPX-UHFFFAOYSA-N 1 1 272.396 3.327 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2cscn2)cc1 ZINC000850359906 637028094 /nfs/dbraw/zinc/02/80/94/637028094.db2.gz VVVKETINLFRCDK-RYUDHWBXSA-N 1 1 287.388 3.285 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](C)c2cscn2)cc1 ZINC000850359907 637028416 /nfs/dbraw/zinc/02/84/16/637028416.db2.gz VVVKETINLFRCDK-VXGBXAGGSA-N 1 1 287.388 3.285 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc(Cl)nc2)CCCCC1 ZINC000850390769 637044337 /nfs/dbraw/zinc/04/43/37/637044337.db2.gz RQXQBVWYINGPMW-UHFFFAOYSA-N 1 1 263.772 3.299 20 30 CGEDMO C[C@@H]1CC[N@@H+](C[C@H](O)CC2(C#N)CCC2)[C@H]2CCCC[C@@H]12 ZINC000885954470 637329339 /nfs/dbraw/zinc/32/93/39/637329339.db2.gz YYFLSVYAFJACAZ-NCOADZHNSA-N 1 1 290.451 3.332 20 30 CGEDMO C#CC[N@@H+](C[C@@H]1C[C@]12CCOC2)[C@H]1CCc2ccccc21 ZINC000885965336 637335521 /nfs/dbraw/zinc/33/55/21/637335521.db2.gz MPOYCIQWFKQWAN-WDSOQIARSA-N 1 1 281.399 3.036 20 30 CGEDMO C=CC(C)(C)CCOC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000851300076 637339926 /nfs/dbraw/zinc/33/99/26/637339926.db2.gz JVBHPQBVIMXHRN-UHFFFAOYSA-N 1 1 285.347 3.026 20 30 CGEDMO CCC[C@]1(C)CCC[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886027006 637372385 /nfs/dbraw/zinc/37/23/85/637372385.db2.gz AXCFFWGBLCDARX-HZPDHXFCSA-N 1 1 278.440 3.333 20 30 CGEDMO Cc1ccc(F)c(C[N@@H+](C)C[C@H](O)CC2(C#N)CCC2)c1 ZINC000886173506 637447549 /nfs/dbraw/zinc/44/75/49/637447549.db2.gz QZMFETGTKCEDDW-OAHLLOKOSA-N 1 1 290.382 3.011 20 30 CGEDMO CSc1ccc(C[NH2+]Cc2ncc(C)s2)cc1C#N ZINC000886277368 637480133 /nfs/dbraw/zinc/48/01/33/637480133.db2.gz ONZYARHZPMGPRB-UHFFFAOYSA-N 1 1 289.429 3.335 20 30 CGEDMO CC[N@@H+](CCOC(F)F)[C@@H](C)c1ccc(C#N)cc1 ZINC000851736047 637483954 /nfs/dbraw/zinc/48/39/54/637483954.db2.gz LLMLTPLKRSMXNL-NSHDSACASA-N 1 1 268.307 3.180 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@H](OC)C1 ZINC000851738458 637485027 /nfs/dbraw/zinc/48/50/27/637485027.db2.gz HKNJLGOGRSGEAF-IRXDYDNUSA-N 1 1 270.376 3.114 20 30 CGEDMO CC[N@@H+](C[C@@H]1COC(C)(C)O1)[C@@H](C)c1ccc(C#N)cc1 ZINC000851736907 637485187 /nfs/dbraw/zinc/48/51/87/637485187.db2.gz XJSDKJCOWJKGCE-XJKSGUPXSA-N 1 1 288.391 3.093 20 30 CGEDMO C#CCOCC[N@@H+]1CC[C@H](C)C[C@H]1c1ccc(C)o1 ZINC000851792199 637505780 /nfs/dbraw/zinc/50/57/80/637505780.db2.gz JMQBHGFNMDOQDS-ZFWWWQNUSA-N 1 1 261.365 3.011 20 30 CGEDMO C#CC[C@@H]1CC[N@H+]([C@@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000886353185 637508880 /nfs/dbraw/zinc/50/88/80/637508880.db2.gz CZZFCNDJQGKYBI-LSDHHAIUSA-N 1 1 295.386 3.451 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000886353993 637509839 /nfs/dbraw/zinc/50/98/39/637509839.db2.gz UFOZKTKQTHGMLV-CQSZACIVSA-N 1 1 266.344 3.187 20 30 CGEDMO C#CCOCC[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000851853242 637522643 /nfs/dbraw/zinc/52/26/43/637522643.db2.gz GVZRDJRLZXLNDL-UHFFFAOYSA-N 1 1 275.779 3.079 20 30 CGEDMO Cc1ccccc1[C@H](CO)[N@H+](C)Cc1ccccc1C#N ZINC000886431874 637531435 /nfs/dbraw/zinc/53/14/35/637531435.db2.gz JCSDSLNRXUSJCC-SFHVURJKSA-N 1 1 280.371 3.032 20 30 CGEDMO Cc1ccccc1[C@H](CO)[N@@H+](C)Cc1ccccc1C#N ZINC000886431874 637531445 /nfs/dbraw/zinc/53/14/45/637531445.db2.gz JCSDSLNRXUSJCC-SFHVURJKSA-N 1 1 280.371 3.032 20 30 CGEDMO C#CCOCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000852017919 637573072 /nfs/dbraw/zinc/57/30/72/637573072.db2.gz GVWYHXPJUDMSJQ-BCDXTJNWSA-N 1 1 269.388 3.047 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC[C@H]1COC(C)(C)O1 ZINC000852191804 637612134 /nfs/dbraw/zinc/61/21/34/637612134.db2.gz KPWJSRVHJPIGBX-BBRMVZONSA-N 1 1 288.391 3.093 20 30 CGEDMO CC[C@@H](CC(F)F)C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000852211320 637617128 /nfs/dbraw/zinc/61/71/28/637617128.db2.gz RKVLVFKXDYOYMO-SWLSCSKDSA-N 1 1 296.361 3.205 20 30 CGEDMO C[C@@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)c1c(O)cccc1F ZINC000886647974 637627911 /nfs/dbraw/zinc/62/79/11/637627911.db2.gz IDEFCOBEPOUONV-ABAIWWIYSA-N 1 1 296.345 3.221 20 30 CGEDMO C=C(Br)C[N@H+]1CC[C@H](N(C)c2ccccc2)C1 ZINC000852654779 637691914 /nfs/dbraw/zinc/69/19/14/637691914.db2.gz POCOVWGEKRBRSM-AWEZNQCLSA-N 1 1 295.224 3.106 20 30 CGEDMO C=C(Br)C[N@@H+]1CC[C@H](N(C)c2ccccc2)C1 ZINC000852654779 637691921 /nfs/dbraw/zinc/69/19/21/637691921.db2.gz POCOVWGEKRBRSM-AWEZNQCLSA-N 1 1 295.224 3.106 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCN(C)C(=O)OC(C)(C)C ZINC000852687077 637697220 /nfs/dbraw/zinc/69/72/20/637697220.db2.gz GAXSMPQPHFQTFS-GASCZTMLSA-N 1 1 294.439 3.426 20 30 CGEDMO COCC[N@H+](Cc1ccc(C#N)o1)Cc1ccc(C)c(C)c1 ZINC000887110299 637752331 /nfs/dbraw/zinc/75/23/31/637752331.db2.gz JYVUWHDHDCMCHB-UHFFFAOYSA-N 1 1 298.386 3.417 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C#N)o1)Cc1ccc(C)c(C)c1 ZINC000887110299 637752333 /nfs/dbraw/zinc/75/23/33/637752333.db2.gz JYVUWHDHDCMCHB-UHFFFAOYSA-N 1 1 298.386 3.417 20 30 CGEDMO Clc1ccc(N=NC2CCC[N@H+]3CCCC[C@@H]23)nc1 ZINC000853435436 637841213 /nfs/dbraw/zinc/84/12/13/637841213.db2.gz OVVFMGNKTFAFHA-ZDUSSCGKSA-N 1 1 278.787 3.151 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(OC)c(C)cc1O ZINC000853598153 637871263 /nfs/dbraw/zinc/87/12/63/637871263.db2.gz MIHRPJOFXMQLDO-GASCZTMLSA-N 1 1 273.376 3.392 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(OC)c(OC)cc1O ZINC000853598176 637871389 /nfs/dbraw/zinc/87/13/89/637871389.db2.gz NHAQKRXUKDFBRR-OKILXGFUSA-N 1 1 289.375 3.092 20 30 CGEDMO C#CCCCCNC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000857151939 638463617 /nfs/dbraw/zinc/46/36/17/638463617.db2.gz SVCVMKKTTZDPCR-SFHVURJKSA-N 1 1 298.430 3.029 20 30 CGEDMO C=CCCC[C@H](N[C@@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000925764577 638601409 /nfs/dbraw/zinc/60/14/09/638601409.db2.gz HRTOGEDVLDHAEV-YOEHRIQHSA-N 1 1 258.409 3.282 20 30 CGEDMO C=C1CCC(C[NH2+]C2CCN(CC3CC3)CC2)CC1 ZINC000926927626 638826854 /nfs/dbraw/zinc/82/68/54/638826854.db2.gz UFIHASMXQRDXMA-UHFFFAOYSA-N 1 1 262.441 3.197 20 30 CGEDMO CC[N@@H+](Cc1cncc(C#N)c1)Cc1ccccc1C ZINC000929203923 638908247 /nfs/dbraw/zinc/90/82/47/638908247.db2.gz XEIWHWDRZQDOHF-UHFFFAOYSA-N 1 1 265.360 3.284 20 30 CGEDMO CCCC[N@@H+](C[C@H](O)CC#N)[C@H](C)c1ccccc1 ZINC000929391867 638923242 /nfs/dbraw/zinc/92/32/42/638923242.db2.gz XXXMSTQEWRXGFR-GDBMZVCRSA-N 1 1 260.381 3.124 20 30 CGEDMO C[N@H+](CCCCC1(C#N)CCC1)CC(=O)OC(C)(C)C ZINC000929461237 638926562 /nfs/dbraw/zinc/92/65/62/638926562.db2.gz CNRWZRIPEBXAQQ-UHFFFAOYSA-N 1 1 280.412 3.124 20 30 CGEDMO C[N@@H+](CCCCC1(C#N)CCC1)CC(=O)OC(C)(C)C ZINC000929461237 638926564 /nfs/dbraw/zinc/92/65/64/638926564.db2.gz CNRWZRIPEBXAQQ-UHFFFAOYSA-N 1 1 280.412 3.124 20 30 CGEDMO N#Cc1cncc(C[N@@H+](CC2CC2)C2CCCCC2)c1 ZINC000929492736 638928324 /nfs/dbraw/zinc/92/83/24/638928324.db2.gz RSCHOFWPZSSFFF-UHFFFAOYSA-N 1 1 269.392 3.498 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000929606142 638934117 /nfs/dbraw/zinc/93/41/17/638934117.db2.gz KWAWDTJSWYCLHC-HNNXBMFYSA-N 1 1 272.392 3.034 20 30 CGEDMO CC(C)[N@H+](CC(=O)OC(C)(C)C)CC1CCC(C#N)CC1 ZINC000930142219 638977498 /nfs/dbraw/zinc/97/74/98/638977498.db2.gz HDNRDSJPSIEGOV-UHFFFAOYSA-N 1 1 294.439 3.368 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCc3ncsc3C2)CCC1 ZINC000930251561 638985959 /nfs/dbraw/zinc/98/59/59/638985959.db2.gz KZBQXFNXNZFDDQ-UHFFFAOYSA-N 1 1 275.421 3.365 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCCC[C@H]1C[C@H](C)O ZINC000930268920 638987328 /nfs/dbraw/zinc/98/73/28/638987328.db2.gz SPXWQZQLJPVAKJ-RDJZCZTQSA-N 1 1 286.419 3.301 20 30 CGEDMO CO[C@]1(C)CCC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000930271325 638987396 /nfs/dbraw/zinc/98/73/96/638987396.db2.gz WCCYIUZHMRXWAC-OAHLLOKOSA-N 1 1 264.413 3.351 20 30 CGEDMO CC(C)(C)[C@H]1C[N@@H+](CC2CCC(C#N)CC2)CCO1 ZINC000930268936 638987660 /nfs/dbraw/zinc/98/76/60/638987660.db2.gz SXSNZROIVJRLNE-YMAMQOFZSA-N 1 1 264.413 3.063 20 30 CGEDMO CC(C)=CC[N@H+](Cc1ccc(Cl)cc1)C[C@H](O)CC#N ZINC000930318078 638990492 /nfs/dbraw/zinc/99/04/92/638990492.db2.gz ZRFYVQOBPULQCX-MRXNPFEDSA-N 1 1 292.810 3.383 20 30 CGEDMO C=CC(C)(C)CCNc1nc(N2CCCC2)cc[nH+]1 ZINC000858653788 639007174 /nfs/dbraw/zinc/00/71/74/639007174.db2.gz CSSACTCGCYBXML-UHFFFAOYSA-N 1 1 260.385 3.091 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H](N2CCCC2)[C@H]1C ZINC000930482530 639007557 /nfs/dbraw/zinc/00/75/57/639007557.db2.gz NHBQGPLXTBPDDC-APWZRJJASA-N 1 1 297.446 3.234 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@H](N2CCCC2)[C@H]1C ZINC000930482530 639007560 /nfs/dbraw/zinc/00/75/60/639007560.db2.gz NHBQGPLXTBPDDC-APWZRJJASA-N 1 1 297.446 3.234 20 30 CGEDMO C#CC[C@@H](CCOC)Nc1cc(C(F)(F)F)cc(C)[nH+]1 ZINC000858858882 639031476 /nfs/dbraw/zinc/03/14/76/639031476.db2.gz UHROSQUQFPDULK-LBPRGKRZSA-N 1 1 286.297 3.249 20 30 CGEDMO CC[C@@H]1C[N@@H+](CC2CCC(C#N)CC2)[C@H](CC)CO1 ZINC000930852855 639076914 /nfs/dbraw/zinc/07/69/14/639076914.db2.gz PZZUNVFCVBROEN-QDIHITRGSA-N 1 1 264.413 3.206 20 30 CGEDMO CC[C@@H]1C[N@@H+](CC2CCC(C#N)CC2)[C@@H](CC)CO1 ZINC000930852857 639077603 /nfs/dbraw/zinc/07/76/03/639077603.db2.gz PZZUNVFCVBROEN-SSHXOBKSSA-N 1 1 264.413 3.206 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCN(C)[C@H](C(C)(C)C)C1 ZINC000930883752 639081839 /nfs/dbraw/zinc/08/18/39/639081839.db2.gz VZHMCAPQNNGMRM-INIZCTEOSA-N 1 1 264.457 3.232 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)CC1 ZINC000931056619 639105171 /nfs/dbraw/zinc/10/51/71/639105171.db2.gz DWSREAOXTIPMEM-UHFFFAOYSA-N 1 1 288.435 3.207 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](C[C@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000931164623 639119863 /nfs/dbraw/zinc/11/98/63/639119863.db2.gz WELGCNPBFZBGMS-UPJWGTAASA-N 1 1 277.330 3.384 20 30 CGEDMO C=CC[C@H]1CC[N@H+](C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000859444559 639142233 /nfs/dbraw/zinc/14/22/33/639142233.db2.gz SMKCEXXRCVNPEE-SWLSCSKDSA-N 1 1 265.784 3.271 20 30 CGEDMO CCc1onc(C)c1C[N@@H+](C)CCc1cccc(C#N)c1 ZINC000931511054 639162239 /nfs/dbraw/zinc/16/22/39/639162239.db2.gz WSVIYONAONQZQQ-UHFFFAOYSA-N 1 1 283.375 3.092 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)c1 ZINC000859582630 639168117 /nfs/dbraw/zinc/16/81/17/639168117.db2.gz JQGKNIVYHDWZNA-IBGZPJMESA-N 1 1 292.382 3.042 20 30 CGEDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2Cc1ccccc1C(C)(C)C#N ZINC000931724733 639196850 /nfs/dbraw/zinc/19/68/50/639196850.db2.gz HYWGSCCPUOMVHT-DLBZAZTESA-N 1 1 297.446 3.156 20 30 CGEDMO CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2Cc1ccccc1C(C)(C)C#N ZINC000931724733 639196853 /nfs/dbraw/zinc/19/68/53/639196853.db2.gz HYWGSCCPUOMVHT-DLBZAZTESA-N 1 1 297.446 3.156 20 30 CGEDMO CN1CC[C@@H]2CC[C@H](C1)[N@H+]2Cc1ccccc1C(C)(C)C#N ZINC000931724733 639196856 /nfs/dbraw/zinc/19/68/56/639196856.db2.gz HYWGSCCPUOMVHT-DLBZAZTESA-N 1 1 297.446 3.156 20 30 CGEDMO C#CCC[N@H+]([C@@H](C)COC)[C@H]1CCc2ccccc21 ZINC000860111657 639284165 /nfs/dbraw/zinc/28/41/65/639284165.db2.gz OVHIRXFZHVKBTB-YOEHRIQHSA-N 1 1 257.377 3.034 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000932201938 639296256 /nfs/dbraw/zinc/29/62/56/639296256.db2.gz WQQNJXAABGJJIP-CYBMUJFWSA-N 1 1 250.411 3.364 20 30 CGEDMO C=C(Br)C[NH2+][C@H](c1ccccn1)C1CC1 ZINC000932376719 639322783 /nfs/dbraw/zinc/32/27/83/639322783.db2.gz DCWPXESGSLRJNG-LBPRGKRZSA-N 1 1 267.170 3.031 20 30 CGEDMO C#CC[N@@H+](Cc1cccnc1C(F)(F)F)C(C)(C)C ZINC000932461374 639337745 /nfs/dbraw/zinc/33/77/45/639337745.db2.gz BDRQVYINPAOFBZ-UHFFFAOYSA-N 1 1 270.298 3.334 20 30 CGEDMO C#CCC1([NH2+]Cc2noc(C3CCC3)n2)CCCCC1 ZINC000933265631 639433393 /nfs/dbraw/zinc/43/33/93/639433393.db2.gz HAMAFQLDCDZDNV-UHFFFAOYSA-N 1 1 273.380 3.153 20 30 CGEDMO C#CCC1([NH2+]Cc2noc(CCCC)n2)CCCCC1 ZINC000933269810 639434426 /nfs/dbraw/zinc/43/44/26/639434426.db2.gz UUWURNJQZXXOJX-UHFFFAOYSA-N 1 1 275.396 3.228 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933708831 639480273 /nfs/dbraw/zinc/48/02/73/639480273.db2.gz BBFFELDYAUBHAR-GHMZBOCLSA-N 1 1 285.313 3.249 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@@H]1CCC2(CCC2)O1 ZINC000933770442 639487432 /nfs/dbraw/zinc/48/74/32/639487432.db2.gz NXPHZPSFLVUJTQ-ZDUSSCGKSA-N 1 1 276.405 3.153 20 30 CGEDMO C=CCCC[N@H+](CC)C[C@H]1CCC2(CCOCC2)CO1 ZINC000934647680 639649992 /nfs/dbraw/zinc/64/99/92/639649992.db2.gz RNXNZQYVNAACAI-MRXNPFEDSA-N 1 1 281.440 3.250 20 30 CGEDMO C=CCCC[N@H+](CC)C[C@@H]1CCC2(CCOCC2)CO1 ZINC000934647679 639650326 /nfs/dbraw/zinc/65/03/26/639650326.db2.gz RNXNZQYVNAACAI-INIZCTEOSA-N 1 1 281.440 3.250 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000934877734 639696139 /nfs/dbraw/zinc/69/61/39/639696139.db2.gz SMKPPAKBQOCUMH-SJORKVTESA-N 1 1 299.418 3.420 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N(C)C[C@H]2CCC[N@H+]2C)c1 ZINC000934884728 639701959 /nfs/dbraw/zinc/70/19/59/639701959.db2.gz FMZOLNYAEYICTI-MRXNPFEDSA-N 1 1 287.407 3.278 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N(CC)[C@H]2CC[N@@H+](C)C2)c1 ZINC000934886560 639703015 /nfs/dbraw/zinc/70/30/15/639703015.db2.gz DNZWFDMCQWTRFQ-INIZCTEOSA-N 1 1 287.407 3.278 20 30 CGEDMO C#CC[N@@H+](Cc1nc(-c2cccc(C)c2)no1)C1CCCC1 ZINC000155823663 639952779 /nfs/dbraw/zinc/95/27/79/639952779.db2.gz LMKWUZPWNLYGCC-UHFFFAOYSA-N 1 1 295.386 3.423 20 30 CGEDMO C#CC[N@H+](Cc1nc(-c2cccc(C)c2)no1)C1CCCC1 ZINC000155823663 639952787 /nfs/dbraw/zinc/95/27/87/639952787.db2.gz LMKWUZPWNLYGCC-UHFFFAOYSA-N 1 1 295.386 3.423 20 30 CGEDMO C=CCCC[N@H+](C)CN1CC[C@](C)(c2ccccc2)C1=O ZINC000188674700 640148468 /nfs/dbraw/zinc/14/84/68/640148468.db2.gz QRKMAUXKYWUMFJ-GOSISDBHSA-N 1 1 286.419 3.032 20 30 CGEDMO C#CC[N@@H+](C)CCCc1ccc(C(F)(F)F)cc1 ZINC000192238643 640360631 /nfs/dbraw/zinc/36/06/31/640360631.db2.gz ZMHOICWIUMRHPE-UHFFFAOYSA-N 1 1 255.283 3.203 20 30 CGEDMO CCCCCCCC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000247356092 640717786 /nfs/dbraw/zinc/71/77/86/640717786.db2.gz JWUDPYMJJHYUQJ-CABCVRRESA-N 1 1 268.445 3.146 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1/N=C/c1ccccc1O ZINC000248390791 640755307 /nfs/dbraw/zinc/75/53/07/640755307.db2.gz IQHUVCMSNWWOIB-OYABHWKLSA-N 1 1 294.398 3.332 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000093533582 640775254 /nfs/dbraw/zinc/77/52/54/640775254.db2.gz DRPDHDYTESKSSP-CQSZACIVSA-N 1 1 258.365 3.375 20 30 CGEDMO CC[C@H](C)N(C)CCNC(=[NH2+])Nc1cccc(C(C)C)c1 ZINC000303985524 640853196 /nfs/dbraw/zinc/85/31/96/640853196.db2.gz SXYABFBLWNAIOW-AWEZNQCLSA-N 1 1 290.455 3.267 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC001008221703 640948065 /nfs/dbraw/zinc/94/80/65/640948065.db2.gz ZTFFJKZGQGFPAN-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001008205115 640948365 /nfs/dbraw/zinc/94/83/65/640948365.db2.gz WWLZOUQTJSQLQA-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3C)C2)C1 ZINC001015673995 640983803 /nfs/dbraw/zinc/98/38/03/640983803.db2.gz SUKOPWVDHWDZIL-KRWDZBQOSA-N 1 1 298.430 3.042 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CC3CCCCC3)C2)C1 ZINC001015672067 640984481 /nfs/dbraw/zinc/98/44/81/640984481.db2.gz KTBCBCVNPGEMIA-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2cccc(Cl)c2)C1 ZINC001016073427 640990944 /nfs/dbraw/zinc/99/09/44/640990944.db2.gz BXMLCJPRUGFFTK-OAHLLOKOSA-N 1 1 292.810 3.110 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)CCC(C)=C(C)C2)C1 ZINC001016370349 640996472 /nfs/dbraw/zinc/99/64/72/640996472.db2.gz CKSHHPMJGULROH-WMZOPIPTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H](C)C1 ZINC001017866241 641016888 /nfs/dbraw/zinc/01/68/88/641016888.db2.gz QWJNVVWMVJUMFH-VQHPVUNQSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(CCC)cc1 ZINC001017870705 641017500 /nfs/dbraw/zinc/01/75/00/641017500.db2.gz UINFIWNPJGMELT-HDICACEKSA-N 1 1 298.430 3.114 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(CCC)cc1 ZINC001017870705 641017505 /nfs/dbraw/zinc/01/75/05/641017505.db2.gz UINFIWNPJGMELT-HDICACEKSA-N 1 1 298.430 3.114 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(CC)(CC)CC ZINC001018106516 641019804 /nfs/dbraw/zinc/01/98/04/641019804.db2.gz BRIYNJTWTDJSQU-GASCZTMLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(CC)(CC)CC ZINC001018106516 641019808 /nfs/dbraw/zinc/01/98/08/641019808.db2.gz BRIYNJTWTDJSQU-GASCZTMLSA-N 1 1 278.440 3.064 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)CC(C)(C)C ZINC001155439436 805581933 /nfs/dbraw/zinc/58/19/33/805581933.db2.gz OMFOQXKIWWJQQA-JKSUJKDBSA-N 1 1 294.483 3.299 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)CC1CCCCC1 ZINC001155601146 805597440 /nfs/dbraw/zinc/59/74/40/805597440.db2.gz HNURXJVGLJRQMZ-JKSUJKDBSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)CCC(C)(C)C ZINC001155918835 805625273 /nfs/dbraw/zinc/62/52/73/805625273.db2.gz RDGVQHFCZJIORR-CQSZACIVSA-N 1 1 268.445 3.215 20 30 CGEDMO C=CC[C@H]1N(C(=O)CC[N@H+]2CC[C@@H](F)C2)CCCC1(C)C ZINC001156190856 805664133 /nfs/dbraw/zinc/66/41/33/805664133.db2.gz NHZSIMNVCFCULS-HUUCEWRRSA-N 1 1 296.430 3.014 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)CCCCCC ZINC001156310737 805674765 /nfs/dbraw/zinc/67/47/65/805674765.db2.gz CTGZGTLKOXEOKD-IAGOWNOFSA-N 1 1 294.483 3.443 20 30 CGEDMO CC(C)c1ccc(C#N)c(NCC[C@@H]2CCC[N@@H+](C)C2)n1 ZINC001156381977 805681664 /nfs/dbraw/zinc/68/16/64/805681664.db2.gz YPLNJBBWLSZBHC-AWEZNQCLSA-N 1 1 286.423 3.220 20 30 CGEDMO C[C@H](Nc1nc(NC2CC2)cc[nH+]1)c1cccc(C#N)c1 ZINC001156871357 805742979 /nfs/dbraw/zinc/74/29/79/805742979.db2.gz AJLGJQIQOFFEMX-NSHDSACASA-N 1 1 279.347 3.096 20 30 CGEDMO Cc1ccc(CC#N)c(NCc2ccc3c(c2)CCO3)[nH+]1 ZINC001156974622 805760845 /nfs/dbraw/zinc/76/08/45/805760845.db2.gz IXACKJDLRYCCOB-UHFFFAOYSA-N 1 1 279.343 3.003 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(C2CC2)cc1 ZINC001157063072 805772605 /nfs/dbraw/zinc/77/26/05/805772605.db2.gz OBOQFVGVTUKCBE-OAHLLOKOSA-N 1 1 298.430 3.028 20 30 CGEDMO C[NH+](C)Cc1ccc2nc(-c3ccc(C#N)c(F)c3)[nH]c2c1 ZINC001250786453 805774554 /nfs/dbraw/zinc/77/45/54/805774554.db2.gz WYEVTGYGBJEVAV-UHFFFAOYSA-N 1 1 294.333 3.302 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)CCCC1CCCC1 ZINC001157183980 805787599 /nfs/dbraw/zinc/78/75/99/805787599.db2.gz GWASZTYDMBXSMG-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H](C)[N@H+](CC)CCC)CCCC1 ZINC001157369346 805801489 /nfs/dbraw/zinc/80/14/89/805801489.db2.gz DMHHNRSQWAYYOP-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@H](C)CCC ZINC001157675239 805850377 /nfs/dbraw/zinc/85/03/77/805850377.db2.gz NREAERWHXWOSET-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)C1CC1 ZINC001157761877 805865292 /nfs/dbraw/zinc/86/52/92/805865292.db2.gz GMJZIPAUKHBYJF-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)CCCC ZINC001157908144 805902771 /nfs/dbraw/zinc/90/27/71/805902771.db2.gz LRTGWTIQHHVNBT-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)C(CC)CC ZINC001158155272 805924840 /nfs/dbraw/zinc/92/48/40/805924840.db2.gz MLUXMHIJSNHARI-DOTOQJQBSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1C ZINC001158316895 805936663 /nfs/dbraw/zinc/93/66/63/805936663.db2.gz WAFWFHNUUAOUMW-YYIAUSFCSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)CC(=C)C ZINC001158363221 805944875 /nfs/dbraw/zinc/94/48/75/805944875.db2.gz BSWXVKVEPBZUAO-JKSUJKDBSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)CC(C)C ZINC001158425725 805953371 /nfs/dbraw/zinc/95/33/71/805953371.db2.gz DEJARDVPGTYWRM-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C1CCC(C(=O)N2CC[N@H+](C)C3(CCCCC3)C2)CC1 ZINC001158700471 805986640 /nfs/dbraw/zinc/98/66/40/805986640.db2.gz BEIORYFUYLZCOU-UHFFFAOYSA-N 1 1 290.451 3.210 20 30 CGEDMO C#C[C@](C)(CC)Nc1[nH+]ccc2c3c([nH]c21)CCC3 ZINC001158743505 805996135 /nfs/dbraw/zinc/99/61/35/805996135.db2.gz VXYGURWVPYYNRC-MRXNPFEDSA-N 1 1 253.349 3.265 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@@H](C)[C@@H]1CO ZINC001252123326 806011146 /nfs/dbraw/zinc/01/11/46/806011146.db2.gz GCBVJKSTEJCZOD-IKGGRYGDSA-N 1 1 285.472 3.191 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC001252123781 806011274 /nfs/dbraw/zinc/01/12/74/806011274.db2.gz LYYWIWDFJCVKCS-GJZGRUSLSA-N 1 1 269.429 3.009 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC(=O)[C@@H](C)C1 ZINC001252123781 806011282 /nfs/dbraw/zinc/01/12/82/806011282.db2.gz LYYWIWDFJCVKCS-GJZGRUSLSA-N 1 1 269.429 3.009 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@@H](CCO)C1 ZINC001252130328 806015486 /nfs/dbraw/zinc/01/54/86/806015486.db2.gz OKEAGXONLQOUQF-IRXDYDNUSA-N 1 1 285.472 3.192 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@H]1CN(C)C ZINC001252130164 806015800 /nfs/dbraw/zinc/01/58/00/806015800.db2.gz MMIFDUGNELIZRW-DLBZAZTESA-N 1 1 284.488 3.124 20 30 CGEDMO CCCCCCCC[C@@H](O)CN1CCC[C@H]1C[NH+](C)C ZINC001252130164 806015808 /nfs/dbraw/zinc/01/58/08/806015808.db2.gz MMIFDUGNELIZRW-DLBZAZTESA-N 1 1 284.488 3.124 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001252129766 806016452 /nfs/dbraw/zinc/01/64/52/806016452.db2.gz DGFRGJXIWRCSFE-YHUYYLMFSA-N 1 1 271.420 3.245 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)C2=O ZINC001252130784 806017376 /nfs/dbraw/zinc/01/73/76/806017376.db2.gz XZSXWQCVICZMCK-XHSDSOJGSA-N 1 1 281.440 3.009 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC001252130698 806017612 /nfs/dbraw/zinc/01/76/12/806017612.db2.gz WTCBMKHFLLWUSF-ZWKOTPCHSA-N 1 1 296.499 3.126 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC001252130698 806017617 /nfs/dbraw/zinc/01/76/17/806017617.db2.gz WTCBMKHFLLWUSF-ZWKOTPCHSA-N 1 1 296.499 3.126 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+](C)Cc1ccncn1 ZINC001252132475 806018851 /nfs/dbraw/zinc/01/88/51/806018851.db2.gz HKNNWOIAKLWQRY-MRXNPFEDSA-N 1 1 279.428 3.020 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)C2=O ZINC001252130783 806018931 /nfs/dbraw/zinc/01/89/31/806018931.db2.gz XZSXWQCVICZMCK-OWCLPIDISA-N 1 1 281.440 3.009 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)C[C@H](O)COCCCC ZINC001252512248 806052864 /nfs/dbraw/zinc/05/28/64/806052864.db2.gz PYWZJZMEGDSMSB-SFHVURJKSA-N 1 1 291.435 3.242 20 30 CGEDMO C=C[C@](C)(O)C[N@@H+](Cc1ccccc1)Cc1ccccn1 ZINC001252549034 806061782 /nfs/dbraw/zinc/06/17/82/806061782.db2.gz ZOSIQEXDJRUZPW-SFHVURJKSA-N 1 1 282.387 3.021 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1CCc2ccc(C(F)(F)F)cc2C1 ZINC001252554874 806063001 /nfs/dbraw/zinc/06/30/01/806063001.db2.gz MLNLRWZDYQQNKP-AWEZNQCLSA-N 1 1 285.309 3.001 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+]1CCC[C@H]1c1ccc(Cl)s1 ZINC001252554997 806063101 /nfs/dbraw/zinc/06/31/01/806063101.db2.gz NQPOQVZNIOSGID-GXFFZTMASA-N 1 1 271.813 3.475 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1c1cc(F)ccc1F ZINC001252599793 806081317 /nfs/dbraw/zinc/08/13/17/806081317.db2.gz JYGLGOLUTMUYEU-BBRMVZONSA-N 1 1 281.346 3.429 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CC[C@H](c2ccccc2Cl)C1 ZINC001252599887 806081364 /nfs/dbraw/zinc/08/13/64/806081364.db2.gz NDEVTGLICJIVQO-UONOGXRCSA-N 1 1 279.811 3.456 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)C(CC)CC)CC1 ZINC001159338424 806085005 /nfs/dbraw/zinc/08/50/05/806085005.db2.gz HEJNVOMPIGOESQ-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO CCCc1cc(NCC#Cc2ccccc2)nc(C)[nH+]1 ZINC001159375636 806091239 /nfs/dbraw/zinc/09/12/39/806091239.db2.gz DJLCHMIQYXLYCB-UHFFFAOYSA-N 1 1 265.360 3.201 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@](C)(O)CC1 ZINC001253233314 806186811 /nfs/dbraw/zinc/18/68/11/806186811.db2.gz CCILHJRVTYNVSN-FGTMMUONSA-N 1 1 297.483 3.357 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCC(=O)[C@H](C)CC1 ZINC001253234201 806188728 /nfs/dbraw/zinc/18/87/28/806188728.db2.gz WKQUFRDBKGJHSY-CVEARBPZSA-N 1 1 281.440 3.175 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1CC(=O)C2 ZINC001253235004 806188285 /nfs/dbraw/zinc/18/82/85/806188285.db2.gz HOOJGBRRNNIGFW-OWCLPIDISA-N 1 1 279.424 3.070 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001253238880 806189814 /nfs/dbraw/zinc/18/98/14/806189814.db2.gz IPYRATBBMDZYRW-YHUYYLMFSA-N 1 1 269.404 3.306 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC001253240829 806192128 /nfs/dbraw/zinc/19/21/28/806192128.db2.gz AQIZWONNRCSGAE-JKSUJKDBSA-N 1 1 264.413 3.109 20 30 CGEDMO C=CCCCCCC[C@H](O)C[NH2+]Cc1ncc(Cl)cn1 ZINC001253250014 806195577 /nfs/dbraw/zinc/19/55/77/806195577.db2.gz SMZIUDWCNJDYFW-AWEZNQCLSA-N 1 1 297.830 3.107 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001253237366 806188861 /nfs/dbraw/zinc/18/88/61/806188861.db2.gz XZXCPGOMXPFKBL-BZSNNMDCSA-N 1 1 295.467 3.375 20 30 CGEDMO C=CCCCCCC[C@H](O)C[NH2+]C(C)(C)CCN(C)C ZINC001253250522 806196724 /nfs/dbraw/zinc/19/67/24/806196724.db2.gz BFMFCLGSQJWPNQ-INIZCTEOSA-N 1 1 284.488 3.194 20 30 CGEDMO CCCCCCC[N@@H+](CC)C[C@H](O)COC(C)(C)C ZINC001253452735 806221281 /nfs/dbraw/zinc/22/12/81/806221281.db2.gz MXAXWLCDHDFFLM-HNNXBMFYSA-N 1 1 273.461 3.455 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)C[C@H]2CCC[C@@H]2C)CC1 ZINC001160221639 806238143 /nfs/dbraw/zinc/23/81/43/806238143.db2.gz ICZZQSFRXHZOIW-DOTOQJQBSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C[C@@H](O)C[N@H+](CCC)Cc1cccc(Br)c1 ZINC001253584722 806265097 /nfs/dbraw/zinc/26/50/97/806265097.db2.gz QTPROYGSHPJPRG-CQSZACIVSA-N 1 1 298.224 3.208 20 30 CGEDMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1cc(Cl)ncc1C#N)C2 ZINC001160468820 806275764 /nfs/dbraw/zinc/27/57/64/806275764.db2.gz HTQMXQHXYLFIED-XYYAHUGASA-N 1 1 290.798 3.034 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@]2(C)C=CCC2)CC1 ZINC001160915065 806322087 /nfs/dbraw/zinc/32/20/87/806322087.db2.gz IZZRQBNZGIHKKU-SFHVURJKSA-N 1 1 288.435 3.057 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1nc(C)nc2ccsc21 ZINC001160951803 806326675 /nfs/dbraw/zinc/32/66/75/806326675.db2.gz LIXQCVHIAFLVAD-LBPRGKRZSA-N 1 1 288.420 3.062 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)c2ccccc2CC)CC1 ZINC001161043389 806341261 /nfs/dbraw/zinc/34/12/61/806341261.db2.gz BVNSZAKTCNHYJC-UHFFFAOYSA-N 1 1 298.430 3.187 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)C2(C)CC(=C)C2)CC1 ZINC001161173698 806353928 /nfs/dbraw/zinc/35/39/28/806353928.db2.gz SZCSAKDNTLADMI-UHFFFAOYSA-N 1 1 288.435 3.057 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[C@@H](C)C2)CC1 ZINC001161398089 806373767 /nfs/dbraw/zinc/37/37/67/806373767.db2.gz MBGZYXITFZAKPS-WBVHZDCISA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC[C@@H]([NH2+][C@@H](CCC)CCc1ccccc1)C(=O)OC ZINC001254487297 806414058 /nfs/dbraw/zinc/41/40/58/806414058.db2.gz NZSPJWLAPQHGRG-DLBZAZTESA-N 1 1 289.419 3.495 20 30 CGEDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C#N)CC1 ZINC001254559486 806449500 /nfs/dbraw/zinc/44/95/00/806449500.db2.gz KBYNKSCNCZNKRF-KBPBESRZSA-N 1 1 287.363 3.151 20 30 CGEDMO C[N@@H+](CCc1cccc(C(F)(F)F)n1)[C@@H]1CC[C@H](C#N)C1 ZINC001254660291 806478114 /nfs/dbraw/zinc/47/81/14/806478114.db2.gz HEZBTXQXYCYDGB-WCQYABFASA-N 1 1 297.324 3.267 20 30 CGEDMO CC[C@H]1CN(Cc2ccccc2)CC[N@H+]1[C@H]1CC[C@@H](C#N)C1 ZINC001254674644 806483080 /nfs/dbraw/zinc/48/30/80/806483080.db2.gz BEPAQQIZMXFDOI-QYZOEREBSA-N 1 1 297.446 3.275 20 30 CGEDMO CC[C@H]1C[N@H+](Cc2ccccc2)CCN1[C@H]1CC[C@@H](C#N)C1 ZINC001254674644 806483084 /nfs/dbraw/zinc/48/30/84/806483084.db2.gz BEPAQQIZMXFDOI-QYZOEREBSA-N 1 1 297.446 3.275 20 30 CGEDMO CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1[C@H]1CC[C@@H](C#N)C1 ZINC001254674644 806483086 /nfs/dbraw/zinc/48/30/86/806483086.db2.gz BEPAQQIZMXFDOI-QYZOEREBSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@H]1C[N@H+]([C@H]2CC[C@@H](C#N)C2)[C@@H](c2ccccc2)CO1 ZINC001254676275 806483132 /nfs/dbraw/zinc/48/31/32/806483132.db2.gz JVZLMEHLNWQBPC-HDEZJCGLSA-N 1 1 270.376 3.141 20 30 CGEDMO C[C@H]1C[N@@H+]([C@H]2CC[C@@H](C#N)C2)[C@@H](c2ccccc2)CO1 ZINC001254676275 806483136 /nfs/dbraw/zinc/48/31/36/806483136.db2.gz JVZLMEHLNWQBPC-HDEZJCGLSA-N 1 1 270.376 3.141 20 30 CGEDMO C[N@@H+]([C@@H]1CC[C@H](C#N)C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001254674603 806483314 /nfs/dbraw/zinc/48/33/14/806483314.db2.gz AMRCQDMTVAXAHM-OTWHNJEPSA-N 1 1 297.446 3.275 20 30 CGEDMO CN([C@@H]1CC[C@H](C#N)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001254674603 806483320 /nfs/dbraw/zinc/48/33/20/806483320.db2.gz AMRCQDMTVAXAHM-OTWHNJEPSA-N 1 1 297.446 3.275 20 30 CGEDMO CN([C@@H]1CC[C@H](C#N)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001254674603 806483326 /nfs/dbraw/zinc/48/33/26/806483326.db2.gz AMRCQDMTVAXAHM-OTWHNJEPSA-N 1 1 297.446 3.275 20 30 CGEDMO C[N@H+](Cc1cccc(F)c1F)[C@@H]1CC[C@@H](C#N)C1 ZINC001254673069 806483568 /nfs/dbraw/zinc/48/35/68/806483568.db2.gz GQYZATHPASKJPV-ZYHUDNBSSA-N 1 1 250.292 3.089 20 30 CGEDMO C[N@@H+](Cc1cccc(F)c1F)[C@@H]1CC[C@@H](C#N)C1 ZINC001254673069 806483574 /nfs/dbraw/zinc/48/35/74/806483574.db2.gz GQYZATHPASKJPV-ZYHUDNBSSA-N 1 1 250.292 3.089 20 30 CGEDMO COc1cccc(CCC[N@@H+](C)[C@H]2CC[C@H](C#N)C2)c1 ZINC001254673790 806483763 /nfs/dbraw/zinc/48/37/63/806483763.db2.gz PIDIFBKYFKCABE-HOTGVXAUSA-N 1 1 272.392 3.252 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1c1ccc(NCC2COC2)cc1 ZINC001161955809 806490392 /nfs/dbraw/zinc/49/03/92/806490392.db2.gz VYGDYRDBZDPXAC-KRWDZBQOSA-N 1 1 272.392 3.068 20 30 CGEDMO N#C[C@@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001255098439 806544124 /nfs/dbraw/zinc/54/41/24/806544124.db2.gz PUJFJGWXUQJPGS-RBUKOAKNSA-N 1 1 291.398 3.115 20 30 CGEDMO CC[C@](C)(C#N)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255128054 806549806 /nfs/dbraw/zinc/54/98/06/806549806.db2.gz JOTRYFRQADDTSS-FCGDIQPGSA-N 1 1 297.446 3.464 20 30 CGEDMO C[N@H+]1CCC[C@](C)(Nc2cc(C#N)c3ccccc3n2)C1 ZINC001162337873 806556511 /nfs/dbraw/zinc/55/65/11/806556511.db2.gz URBZYDLTCOHPGZ-KRWDZBQOSA-N 1 1 280.375 3.003 20 30 CGEDMO CC[C@@H](CC#N)[NH2+][C@H](c1cncc(Cl)c1)C1CC1 ZINC001255161957 806560406 /nfs/dbraw/zinc/56/04/06/806560406.db2.gz DERSAUUPASHWCT-KBPBESRZSA-N 1 1 263.772 3.468 20 30 CGEDMO CC[C@H](CC#N)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001255166722 806564698 /nfs/dbraw/zinc/56/46/98/806564698.db2.gz PLOGMUDIGPLUHG-QRVBRYPASA-N 1 1 297.446 3.275 20 30 CGEDMO CC[C@@H](CC#N)[N@H+]1CC[C@@H](c2ccc(OC)cc2)C1 ZINC001255173647 806566161 /nfs/dbraw/zinc/56/61/61/806566161.db2.gz CURQEBXVQSRBHG-CABCVRRESA-N 1 1 258.365 3.177 20 30 CGEDMO CC[C@@H](CC#N)N1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001255173407 806567251 /nfs/dbraw/zinc/56/72/51/806567251.db2.gz AANMFQASNZNLRS-HRCADAONSA-N 1 1 263.429 3.017 20 30 CGEDMO C#CC[N@@H+]([C@@H](CC)CC#N)[C@@H]1CCc2ccccc21 ZINC001255174600 806568396 /nfs/dbraw/zinc/56/83/96/806568396.db2.gz YXWSBOLXCXEUMK-DOTOQJQBSA-N 1 1 252.361 3.301 20 30 CGEDMO C#CC[N@H+]([C@@H](CC)CC#N)[C@@H]1CCc2ccccc21 ZINC001255174600 806568404 /nfs/dbraw/zinc/56/84/04/806568404.db2.gz YXWSBOLXCXEUMK-DOTOQJQBSA-N 1 1 252.361 3.301 20 30 CGEDMO C=CCn1ccc2c1nc[nH+]c2NC(C)(C)C1CC1 ZINC001162514362 806601783 /nfs/dbraw/zinc/60/17/83/806601783.db2.gz CEXOUMUPAMPVMC-UHFFFAOYSA-N 1 1 256.353 3.218 20 30 CGEDMO CCCC[C@@H](C)[NH+]1CC(Oc2ccccc2C#N)C1 ZINC001255332490 806617900 /nfs/dbraw/zinc/61/79/00/806617900.db2.gz AJXMFGWFFIENDS-CYBMUJFWSA-N 1 1 258.365 3.200 20 30 CGEDMO CC(=O)C=C(C)N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255381996 806629837 /nfs/dbraw/zinc/62/98/37/806629837.db2.gz AWWUJKCSRLXXQA-OJSRQPNCSA-N 1 1 286.419 3.124 20 30 CGEDMO C[C@H](CC(F)(F)F)[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001255648046 806693204 /nfs/dbraw/zinc/69/32/04/806693204.db2.gz YCDJUNOAUKUSGC-SNVBAGLBSA-N 1 1 268.282 3.257 20 30 CGEDMO C[C@H](CC(F)(F)F)[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001255648046 806693205 /nfs/dbraw/zinc/69/32/05/806693205.db2.gz YCDJUNOAUKUSGC-SNVBAGLBSA-N 1 1 268.282 3.257 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)CC(OCC)OCC ZINC000123594443 798995491 /nfs/dbraw/zinc/99/54/91/798995491.db2.gz NOEASWPNNVPJCV-UHFFFAOYSA-N 1 1 269.410 3.135 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)CC(OCC)OCC ZINC000123594443 798995498 /nfs/dbraw/zinc/99/54/98/798995498.db2.gz NOEASWPNNVPJCV-UHFFFAOYSA-N 1 1 269.410 3.135 20 30 CGEDMO C=CC[C@@](C)([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)OC ZINC001255707508 806712910 /nfs/dbraw/zinc/71/29/10/806712910.db2.gz GMLZTEYLVMLMJL-NQBHXWOUSA-N 1 1 293.329 3.205 20 30 CGEDMO N#Cc1cc(F)cc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000163627336 799083083 /nfs/dbraw/zinc/08/30/83/799083083.db2.gz NFBSATZCKNKJGU-GFCCVEGCSA-N 1 1 286.272 3.472 20 30 CGEDMO N#Cc1cc(F)cc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000163627336 799083090 /nfs/dbraw/zinc/08/30/90/799083090.db2.gz NFBSATZCKNKJGU-GFCCVEGCSA-N 1 1 286.272 3.472 20 30 CGEDMO C=C[C@H](COC)[NH2+][C@@H](C)c1ccccc1Br ZINC000309597017 799219178 /nfs/dbraw/zinc/21/91/78/799219178.db2.gz WLBWMRJUCVVUAB-WDEREUQCSA-N 1 1 284.197 3.301 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000384133897 799411297 /nfs/dbraw/zinc/41/12/97/799411297.db2.gz CZFYXLSWPDNFPP-ZDUSSCGKSA-N 1 1 266.728 3.140 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](Nc2ncc(C#N)cc2Cl)[C@@H](C)C1 ZINC001163362036 806747464 /nfs/dbraw/zinc/74/74/64/806747464.db2.gz LYPVFHOYPQKFJJ-FZMZJTMJSA-N 1 1 292.814 3.137 20 30 CGEDMO Cc1[nH+]ccn1CCCNc1ccc(C#N)cc1Cl ZINC000699675212 799865949 /nfs/dbraw/zinc/86/59/49/799865949.db2.gz RQTQGLXXZKEYGF-UHFFFAOYSA-N 1 1 274.755 3.219 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1cc(O)ccc1Br)C(C)(C)C ZINC000702227774 799903809 /nfs/dbraw/zinc/90/38/09/799903809.db2.gz LKSPLVAPWHGFSQ-CYBMUJFWSA-N 1 1 296.208 3.292 20 30 CGEDMO C=C1C[C@@H]2CC([NH2+][C@@H](C)C(=O)OC(C)(C)C)C[C@H](C1)C2 ZINC000707252957 799976905 /nfs/dbraw/zinc/97/69/05/799976905.db2.gz XULIBWZWOFYGBI-RDGKXADDSA-N 1 1 279.424 3.441 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CC[C@@H](c3nccs3)C2)cc1 ZINC000710355169 800032788 /nfs/dbraw/zinc/03/27/88/800032788.db2.gz NOHSSDXDVQIAQY-OAHLLOKOSA-N 1 1 283.400 3.199 20 30 CGEDMO CC[N@@H+](C[C@@H](C)C#N)C[C@@H]1CC(C)(C)OC1(C)C ZINC000711277232 800051154 /nfs/dbraw/zinc/05/11/54/800051154.db2.gz HCDCXACDLSIHKF-STQMWFEESA-N 1 1 252.402 3.062 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)c(Cl)c1 ZINC000711552066 800067767 /nfs/dbraw/zinc/06/77/67/800067767.db2.gz AFBWHAPEYQKEFJ-BETUJISGSA-N 1 1 278.808 3.006 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)OCC)C1 ZINC001256036027 806806414 /nfs/dbraw/zinc/80/64/14/806806414.db2.gz RBWBBQYQXZTTPN-CQSZACIVSA-N 1 1 270.417 3.119 20 30 CGEDMO C[C@H](COCc1ccccc1)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000719608951 800245816 /nfs/dbraw/zinc/24/58/16/800245816.db2.gz HXHNCMKJOWNXLL-DOTOQJQBSA-N 1 1 272.392 3.075 20 30 CGEDMO N#Cc1cccc(C[N@@H+](Cc2ccoc2)C2CC2)c1 ZINC000723739424 800338657 /nfs/dbraw/zinc/33/86/57/800338657.db2.gz PMOAFLJYTPPHJX-UHFFFAOYSA-N 1 1 252.317 3.316 20 30 CGEDMO C[C@H](CNc1nc(Cl)c(C#N)s1)[N@H+]1CCC[C@@H](C)C1 ZINC000804350354 800397787 /nfs/dbraw/zinc/39/77/87/800397787.db2.gz ZPBHGOPKOLSOAH-NXEZZACHSA-N 1 1 298.843 3.200 20 30 CGEDMO CCCC[N@@H+](C)C[C@H](C)/N=C/c1cc(OCC)ccc1O ZINC000809144536 800413090 /nfs/dbraw/zinc/41/30/90/800413090.db2.gz OFWXCLPRLCRBPV-QCUKBLKESA-N 1 1 292.423 3.330 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)cc1 ZINC000809548725 800445406 /nfs/dbraw/zinc/44/54/06/800445406.db2.gz OQXPWLMCISDOQO-HNNXBMFYSA-N 1 1 297.320 3.211 20 30 CGEDMO C#Cc1ccc(C[N@@H+](C)CCc2ccccc2F)cc1 ZINC000809552754 800446751 /nfs/dbraw/zinc/44/67/51/800446751.db2.gz ZOUSGGSSEKMCJG-UHFFFAOYSA-N 1 1 267.347 3.482 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@H](C)Cc1cccc(OC)c1 ZINC001256164167 806841057 /nfs/dbraw/zinc/84/10/57/806841057.db2.gz KBEZLBOKEGSQMY-CQSZACIVSA-N 1 1 260.381 3.252 20 30 CGEDMO N#Cc1cccc(C[NH2+][C@@H](c2ccccn2)C2CC2)c1F ZINC000932384702 800663383 /nfs/dbraw/zinc/66/33/83/800663383.db2.gz WMVVISMYRKMSEN-QGZVFWFLSA-N 1 1 281.334 3.333 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C)s2)C1 ZINC001023204270 800706775 /nfs/dbraw/zinc/70/67/75/800706775.db2.gz MFUOZBSEUTXYAS-CQSZACIVSA-N 1 1 292.448 3.074 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)C2CCCCCC2)C1 ZINC001023258792 800708723 /nfs/dbraw/zinc/70/87/23/800708723.db2.gz DMARANIRMFPQJZ-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)c2ccsc2C)C1 ZINC001023351909 800710123 /nfs/dbraw/zinc/71/01/23/800710123.db2.gz DZZUMVFDMIEMRW-CQSZACIVSA-N 1 1 292.448 3.074 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001023580945 800713482 /nfs/dbraw/zinc/71/34/82/800713482.db2.gz ZWSDNRKDPIZFHI-CVEARBPZSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccs1 ZINC001024316647 800724920 /nfs/dbraw/zinc/72/49/20/800724920.db2.gz VPCQNUOIMMRLRP-CQSZACIVSA-N 1 1 292.448 3.299 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001024448537 800727439 /nfs/dbraw/zinc/72/74/39/800727439.db2.gz QEYBEXWLHVQHGS-HRCADAONSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)cs1 ZINC001024430225 800728655 /nfs/dbraw/zinc/72/86/55/800728655.db2.gz VSDPTCOOPFBELY-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(CC)s1 ZINC001024540324 800729928 /nfs/dbraw/zinc/72/99/28/800729928.db2.gz JPTWCHRWSNTFGM-ZDUSSCGKSA-N 1 1 292.448 3.081 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1occc1Cl ZINC001024636601 800733983 /nfs/dbraw/zinc/73/39/83/800733983.db2.gz UNXMHFGNOUVWAQ-LBPRGKRZSA-N 1 1 296.798 3.093 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC001024683021 800735422 /nfs/dbraw/zinc/73/54/22/800735422.db2.gz LSSSIVTZZAMTBB-HOTGVXAUSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C=C)cc1 ZINC001024671746 800735519 /nfs/dbraw/zinc/73/55/19/800735519.db2.gz KDZPGIKSSNVTTG-QGZVFWFLSA-N 1 1 284.403 3.100 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)c(C)s1 ZINC001024792830 800737744 /nfs/dbraw/zinc/73/77/44/800737744.db2.gz MPXAHIUYMAAVBL-CQSZACIVSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccsc2C)C1 ZINC001025415989 800760729 /nfs/dbraw/zinc/76/07/29/800760729.db2.gz XGZCREJFJSLTIW-JSGCOSHPSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@H]2C=CCC2)C1 ZINC001027289972 800789898 /nfs/dbraw/zinc/78/98/98/800789898.db2.gz MMMRLRDSWSWEIA-LSDHHAIUSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)C[C@H]2C=CCC2)C1 ZINC001027289972 800789902 /nfs/dbraw/zinc/78/99/02/800789902.db2.gz MMMRLRDSWSWEIA-LSDHHAIUSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2c(C)coc2C)C1 ZINC001027394676 800793148 /nfs/dbraw/zinc/79/31/48/800793148.db2.gz NEYWKVQRBTZNLL-HNNXBMFYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C(F)=C2CCCC2)C1 ZINC001027364491 800793677 /nfs/dbraw/zinc/79/36/77/800793677.db2.gz DOUIOXULDOVOAN-OAHLLOKOSA-N 1 1 294.414 3.283 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc3occc3c2)C1 ZINC001027423110 800794974 /nfs/dbraw/zinc/79/49/74/800794974.db2.gz UWCXIGNOSNJFED-MRXNPFEDSA-N 1 1 298.386 3.155 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC23CC3)C1 ZINC001027460686 800796308 /nfs/dbraw/zinc/79/63/08/800796308.db2.gz MVGVQXZQHKQHCX-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)C2CCC3(CC3)CC2)C1 ZINC001027494418 800798193 /nfs/dbraw/zinc/79/81/93/800798193.db2.gz DVVNZGVFRVLIFJ-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C2CC3(CCC3)C2)C1 ZINC001027530192 800800044 /nfs/dbraw/zinc/80/00/44/800800044.db2.gz UIMHLNHQOPITTO-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCC2)C1 ZINC001027560284 800803182 /nfs/dbraw/zinc/80/31/82/800803182.db2.gz VASHGFFPOOFBFQ-AEFFLSMTSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)C2(CC)CCCC2)C1 ZINC001027635026 800806801 /nfs/dbraw/zinc/80/68/01/800806801.db2.gz GRFHLVDRLQKXFE-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1sccc1F ZINC001027867781 800824733 /nfs/dbraw/zinc/82/47/33/800824733.db2.gz ADOPKFCURIMUQZ-LBPRGKRZSA-N 1 1 296.411 3.048 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C)cc(Cl)c1 ZINC001028027681 800828925 /nfs/dbraw/zinc/82/89/25/800828925.db2.gz AYYJYHAQNSXPGR-HNNXBMFYSA-N 1 1 292.810 3.029 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(C(C)C)c1 ZINC001028242071 800836382 /nfs/dbraw/zinc/83/63/82/800836382.db2.gz ARSVNVMLIHDFGV-SFHVURJKSA-N 1 1 298.430 3.028 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)cc1C ZINC001028294407 800840165 /nfs/dbraw/zinc/84/01/65/800840165.db2.gz BUICLLVVYBLXIO-MRXNPFEDSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)C1CCC(C)(C)CC1 ZINC001028339310 800843087 /nfs/dbraw/zinc/84/30/87/800843087.db2.gz RQQHBYRMKMAAMN-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](CNC(=O)C2CCCCCCC2)C1 ZINC001028681250 800849678 /nfs/dbraw/zinc/84/96/78/800849678.db2.gz RQTGGIMISRNKAJ-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO CC(C)CC[C@H](C)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001256363110 806867518 /nfs/dbraw/zinc/86/75/18/806867518.db2.gz GPIYGPZAZUFGOC-WCQYABFASA-N 1 1 253.411 3.085 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC(C[N@@H+](C)CC2CC2)CC1 ZINC001029990632 800882161 /nfs/dbraw/zinc/88/21/61/800882161.db2.gz ORPLWGOUEUGPSK-GOSISDBHSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CCCCCC1 ZINC001032450161 800928392 /nfs/dbraw/zinc/92/83/92/800928392.db2.gz GJUSXZHQPQDMIX-HOTGVXAUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CCCCCC1 ZINC001032450161 800928394 /nfs/dbraw/zinc/92/83/94/800928394.db2.gz GJUSXZHQPQDMIX-HOTGVXAUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC(C)(C)C ZINC001032606442 800931398 /nfs/dbraw/zinc/93/13/98/800931398.db2.gz UIEPGYBJUGRKQE-MPGHIAIKSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C(C)=C2CCCC2)C1 ZINC001032989043 800947416 /nfs/dbraw/zinc/94/74/16/800947416.db2.gz AAVRXYJMZLZEEU-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2C2(C)CC2)C1 ZINC001033419049 800963968 /nfs/dbraw/zinc/96/39/68/800963968.db2.gz XIDBAQKGDPACTA-HNNXBMFYSA-N 1 1 298.430 3.070 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)C2CCCC2)C1 ZINC001033573836 800968163 /nfs/dbraw/zinc/96/81/63/800968163.db2.gz KEHNZQBNGOZSJJ-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2C2CCC2)C1 ZINC001033623708 800971330 /nfs/dbraw/zinc/97/13/30/800971330.db2.gz GRRIHPKUFMMQNK-MRXNPFEDSA-N 1 1 298.430 3.286 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001033679007 800972672 /nfs/dbraw/zinc/97/26/72/800972672.db2.gz RNQQQOOQVZWCNS-FUHWJXTLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)C2CC3(CC3)C2)C1 ZINC001033957214 800991481 /nfs/dbraw/zinc/99/14/81/800991481.db2.gz ZOFNYKLLOGCDCI-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccsc2Cl)C1 ZINC001033981085 800992569 /nfs/dbraw/zinc/99/25/69/800992569.db2.gz PBSTUSIYZGSRCL-NSHDSACASA-N 1 1 298.839 3.124 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cc3ccccc3o2)C1 ZINC001034036676 800995242 /nfs/dbraw/zinc/99/52/42/800995242.db2.gz VKLAMGJWWXMWHI-HNNXBMFYSA-N 1 1 298.386 3.155 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)c2ccccc2)C1 ZINC001034082338 801003034 /nfs/dbraw/zinc/00/30/34/801003034.db2.gz GEAGUHHGJNYMOB-QGZVFWFLSA-N 1 1 286.419 3.237 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2cc(C)c(C)o2)C1 ZINC001034166075 801008721 /nfs/dbraw/zinc/00/87/21/801008721.db2.gz SIQMFCQSNAZAOP-HNNXBMFYSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001034226723 801012989 /nfs/dbraw/zinc/01/29/89/801012989.db2.gz RSJIHEUFDKXVQD-WMZOPIPTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2cscc2Cl)C1 ZINC001034256433 801013736 /nfs/dbraw/zinc/01/37/36/801013736.db2.gz JKDZUMCTNQWJFK-NSHDSACASA-N 1 1 298.839 3.172 20 30 CGEDMO C=CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001034263726 801014797 /nfs/dbraw/zinc/01/47/97/801014797.db2.gz BLQQYFZBUALSBQ-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)C2(C)CCCC2)C1 ZINC001034332764 801018211 /nfs/dbraw/zinc/01/82/11/801018211.db2.gz LTNXUBRKDUMNBV-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)C(C)(C)C2CC2)C1 ZINC001034356280 801020271 /nfs/dbraw/zinc/02/02/71/801020271.db2.gz RIOZEWRHZZLHIZ-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)C2CCC(=C)CC2)C1 ZINC001034376839 801022177 /nfs/dbraw/zinc/02/21/77/801022177.db2.gz HHUBKAIMTRIBMF-QGZVFWFLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001034479910 801027627 /nfs/dbraw/zinc/02/76/27/801027627.db2.gz CLEMBCJQHCYVSN-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2ccc(C)cc2)C1 ZINC001034501591 801029340 /nfs/dbraw/zinc/02/93/40/801029340.db2.gz XEXFVJTTYFAETL-KRWDZBQOSA-N 1 1 286.419 3.155 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001034538664 801032433 /nfs/dbraw/zinc/03/24/33/801032433.db2.gz UQLZUXVODOAIAR-WMZOPIPTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)/C(C)=C/C)CC2 ZINC001035171980 801054285 /nfs/dbraw/zinc/05/42/85/801054285.db2.gz IGHAVCGNXYJPKB-YIXHJXPBSA-N 1 1 296.842 3.020 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC2(CC[N@H+](CCC)C2)CC1 ZINC001035227510 801056939 /nfs/dbraw/zinc/05/69/39/801056939.db2.gz XJSFJILXMVCJAN-QGZVFWFLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2CN(C(=O)CCC3CCCC3)CC[C@@H]21 ZINC001036634866 801084529 /nfs/dbraw/zinc/08/45/29/801084529.db2.gz ZWNMOPMYNGNWRU-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)c3ccccc3C)CC[C@H]21 ZINC001036631816 801084554 /nfs/dbraw/zinc/08/45/54/801084554.db2.gz CBYIQRWTNXYBKV-FUHWJXTLSA-N 1 1 298.430 3.108 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CCC3CC3)CC[C@@H]21 ZINC001036669510 801087607 /nfs/dbraw/zinc/08/76/07/801087607.db2.gz FSFSMUVFCOBZDC-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CC=C(C)C)C1 ZINC001036788781 801089264 /nfs/dbraw/zinc/08/92/64/801089264.db2.gz HFUKDLMJKCDDHJ-HZPDHXFCSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)CC)CC[C@H]21 ZINC001036804417 801091891 /nfs/dbraw/zinc/09/18/91/801091891.db2.gz JEFCZACTOXJWOU-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3(CC)CCC3)CC[C@H]21 ZINC001036794965 801092020 /nfs/dbraw/zinc/09/20/20/801092020.db2.gz FMXOTWAFSKNRLK-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3c(C)cccc3C)CC[C@H]21 ZINC001036827300 801093592 /nfs/dbraw/zinc/09/35/92/801093592.db2.gz VUNDMHVEFRASTA-IAGOWNOFSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1CC ZINC001038644869 801131011 /nfs/dbraw/zinc/13/10/11/801131011.db2.gz MPOTXBNXMVSSCY-INIZCTEOSA-N 1 1 286.419 3.019 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)c1ccsc1Cl ZINC001038772112 801133984 /nfs/dbraw/zinc/13/39/84/801133984.db2.gz FKJGDVXMTAPWGK-LLVKDONJSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC([C@H]2CC[N@H+](CCC)C2)CC1 ZINC001039150813 801150763 /nfs/dbraw/zinc/15/07/63/801150763.db2.gz OKQRZEYSZGMDHU-INIZCTEOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)/C(C)=C/C)C1 ZINC001039203249 801153223 /nfs/dbraw/zinc/15/32/23/801153223.db2.gz OZAWZRJOEPWKPC-KTHYOXIYSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C=C(C)C)C1 ZINC001039207200 801154383 /nfs/dbraw/zinc/15/43/83/801154383.db2.gz XPDDPBIWJYQVPZ-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1CCC ZINC001039432285 801162387 /nfs/dbraw/zinc/16/23/87/801162387.db2.gz QMILZRLTCMVETO-WCXIOVBPSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C(C)C)CC1 ZINC001039431953 801162542 /nfs/dbraw/zinc/16/25/42/801162542.db2.gz ASXFDIQXJNECSK-CVEARBPZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@]2(C1)CCC[N@H+](CCCC)C2 ZINC001040331137 801175275 /nfs/dbraw/zinc/17/52/75/801175275.db2.gz GMXTWSXZYNCMBQ-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)CC3(C)CCCC3)C2)C1 ZINC001041256381 801187838 /nfs/dbraw/zinc/18/78/38/801187838.db2.gz VORNYEKGJAJBCT-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc(C)c(C)c3)C2)C1 ZINC001041813489 801194632 /nfs/dbraw/zinc/19/46/32/801194632.db2.gz BHKGJMLCNDTTQL-IBGZPJMESA-N 1 1 298.430 3.027 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)C3(C)CCCC3)C[C@H]21 ZINC001042169853 801201402 /nfs/dbraw/zinc/20/14/02/801201402.db2.gz MVFNLGXTCDJKQC-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(C)cc3)C[C@@H]21 ZINC001042330846 801205417 /nfs/dbraw/zinc/20/54/17/801205417.db2.gz HLPLVYWUEVLMNQ-WMZOPIPTSA-N 1 1 298.430 3.108 20 30 CGEDMO C=CCC[NH+]1CC(N(C)C(=O)[C@]2(C)CCC(C)=C(C)C2)C1 ZINC001044352869 801238773 /nfs/dbraw/zinc/23/87/73/801238773.db2.gz VVIQAVLPXDASEL-GOSISDBHSA-N 1 1 290.451 3.232 20 30 CGEDMO Cc1ccc(CC#N)c(N2CC[C@@H](C)C(F)(F)CC2)[nH+]1 ZINC001164117507 806895688 /nfs/dbraw/zinc/89/56/88/806895688.db2.gz DOULGIUDAUHJCX-LLVKDONJSA-N 1 1 279.334 3.328 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@@H]2C(C)C)CC1 ZINC001045604280 801281767 /nfs/dbraw/zinc/28/17/67/801281767.db2.gz QOOJJWLDOKTTFY-ZIAGYGMSSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3CCCC)C1 ZINC001045843615 801288715 /nfs/dbraw/zinc/28/87/15/801288715.db2.gz LPNYMHPLYQIQIA-CVEARBPZSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1CCCC1)C2 ZINC001045910303 801291881 /nfs/dbraw/zinc/29/18/81/801291881.db2.gz SWUIXFOGGYJDLP-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCC1CC1)C2 ZINC001045923591 801292768 /nfs/dbraw/zinc/29/27/68/801292768.db2.gz AXKSPRZYFRKELT-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)/C(C)=C\C)C2 ZINC001045929714 801294475 /nfs/dbraw/zinc/29/44/75/801294475.db2.gz GLHBOQNFEJFANM-JZWGVLFKSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)c2cccc(C)c2)C1 ZINC001046116003 801301078 /nfs/dbraw/zinc/30/10/78/801301078.db2.gz OZWSSGUIMKNDEV-GOSISDBHSA-N 1 1 286.419 3.155 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)C2CCCCCC2)C1 ZINC001046176615 801301666 /nfs/dbraw/zinc/30/16/66/801301666.db2.gz BRKVMCATOQVYGE-KRWDZBQOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)c2oc(C)cc2C)C1 ZINC001046220182 801303369 /nfs/dbraw/zinc/30/33/69/801303369.db2.gz GHNPFQILGRGIIJ-KRWDZBQOSA-N 1 1 290.407 3.057 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001046328371 801307648 /nfs/dbraw/zinc/30/76/48/801307648.db2.gz YTRWHUHSFNKMQA-DAYGRLMNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2ccsc2Cl)C1 ZINC001046675849 801320991 /nfs/dbraw/zinc/32/09/91/801320991.db2.gz VEIIPZLFXZOSAP-AWEZNQCLSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccccc1C)C2 ZINC001048497943 801348268 /nfs/dbraw/zinc/34/82/68/801348268.db2.gz AVNUXOALUWEBDY-BJWYYQGGSA-N 1 1 298.430 3.154 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccsc1 ZINC001049310606 801364614 /nfs/dbraw/zinc/36/46/14/801364614.db2.gz ZFHFSKUJSLJLGY-LSDHHAIUSA-N 1 1 290.432 3.003 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(CC)CC ZINC001049321765 801364902 /nfs/dbraw/zinc/36/49/02/801364902.db2.gz JIXCYTDIYMCASU-GJZGRUSLSA-N 1 1 298.858 3.240 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(CC)CC ZINC001049321765 801364908 /nfs/dbraw/zinc/36/49/08/801364908.db2.gz JIXCYTDIYMCASU-GJZGRUSLSA-N 1 1 298.858 3.240 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CCCCCC1 ZINC001049372335 801368501 /nfs/dbraw/zinc/36/85/01/801368501.db2.gz IWSAALOMMSVDDC-SJORKVTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)=C1CCCC1 ZINC001049412845 801372117 /nfs/dbraw/zinc/37/21/17/801372117.db2.gz QDBBBQXRYCNEEJ-IRXDYDNUSA-N 1 1 288.435 3.128 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC ZINC001049500159 801375688 /nfs/dbraw/zinc/37/56/88/801375688.db2.gz CRYVKAGFMGFDRR-KGLIPLIRSA-N 1 1 298.858 3.240 20 30 CGEDMO Cc1ccc(CC#N)c(N(C)Cc2cnc(Cl)s2)[nH+]1 ZINC001164169337 806906113 /nfs/dbraw/zinc/90/61/13/806906113.db2.gz MCAKQSRYNHULNT-UHFFFAOYSA-N 1 1 292.795 3.202 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](C)CC ZINC001049643774 801379551 /nfs/dbraw/zinc/37/95/51/801379551.db2.gz FUZJZGJPAJVMFH-BZUAXINKSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)C[N@H+]1CCc2c(CNC(=O)C3CCC3)cccc2C1 ZINC001051275430 801415998 /nfs/dbraw/zinc/41/59/98/801415998.db2.gz QQMLRLXIUVHPSW-UHFFFAOYSA-N 1 1 298.430 3.037 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C2CCCC2)CC1 ZINC001052145128 801420365 /nfs/dbraw/zinc/42/03/65/801420365.db2.gz UMPAMGKKCIPYDW-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C2CCCC2)CC1 ZINC001052145129 801420728 /nfs/dbraw/zinc/42/07/28/801420728.db2.gz UMPAMGKKCIPYDW-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2cccc(C)c2)CC1 ZINC001052174962 801424982 /nfs/dbraw/zinc/42/49/82/801424982.db2.gz CGKXGPUGHCYIGW-KRWDZBQOSA-N 1 1 286.419 3.155 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC=CCC2)CC1 ZINC001052197123 801426381 /nfs/dbraw/zinc/42/63/81/801426381.db2.gz KAGHODHXUVCRCO-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2oc(C)cc2C)CC1 ZINC001052284265 801428975 /nfs/dbraw/zinc/42/89/75/801428975.db2.gz ACZBPMPQYYCPOW-HNNXBMFYSA-N 1 1 290.407 3.057 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C2C(C)(C)C2(C)C)CC1 ZINC001052283094 801429200 /nfs/dbraw/zinc/42/92/00/801429200.db2.gz VGJZONNTJHBWEP-CQSZACIVSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2sccc2Cl)CC1 ZINC001052399389 801433920 /nfs/dbraw/zinc/43/39/20/801433920.db2.gz YYDYZZULFBLMEP-NSHDSACASA-N 1 1 298.839 3.172 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)C[C@H]2C=CCCC2)CC1 ZINC001052485869 801435995 /nfs/dbraw/zinc/43/59/95/801435995.db2.gz FILPKPWCIQGPDL-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](NC(=O)C2CCC3(CC3)CC2)CC1 ZINC001052567185 801439111 /nfs/dbraw/zinc/43/91/11/801439111.db2.gz TUHNIUAKKOZOAG-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)C2CC3(CCC3)C2)CC1 ZINC001052636914 801442985 /nfs/dbraw/zinc/44/29/85/801442985.db2.gz BCWUWQDEBPTQDQ-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](C[C@@H](C)CC)CC2)C1 ZINC001052690794 801447304 /nfs/dbraw/zinc/44/73/04/801447304.db2.gz PPYPGFXSXIUCCR-GOEBONIOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC001052695204 801449221 /nfs/dbraw/zinc/44/92/21/801449221.db2.gz HFYBLBRFNJWAEV-IXDOHACOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2csc(C)c2)CC1 ZINC001052795236 801452063 /nfs/dbraw/zinc/45/20/63/801452063.db2.gz KFAONQFXJMPGOP-OAHLLOKOSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C(C)C)C2)C1 ZINC001053008564 801462185 /nfs/dbraw/zinc/46/21/85/801462185.db2.gz RPSDVNXGGAAJQG-IAGOWNOFSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C(C)(C)F)C1 ZINC001053063784 801465282 /nfs/dbraw/zinc/46/52/82/801465282.db2.gz RAQOKMLBGSVBOQ-LSDHHAIUSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC(C)C)C1 ZINC001053062879 801466146 /nfs/dbraw/zinc/46/61/46/801466146.db2.gz DNAITMXXZPAAFT-SJORKVTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[C@@]2(CC[N@H+](C(C)C)C2)C1 ZINC001054192209 801477174 /nfs/dbraw/zinc/47/71/74/801477174.db2.gz RGWCSWJZRNIYHV-ROUUACIJSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2ccc(C)o2)CC[C@@H]1C ZINC001071332538 801528322 /nfs/dbraw/zinc/52/83/22/801528322.db2.gz SFVHOSPUSGBCPF-DZGCQCFKSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CC2=CCCCC2)CC[C@@H]1C ZINC001071390520 801531903 /nfs/dbraw/zinc/53/19/03/801531903.db2.gz BJSDSUHWLSPMQO-RDJZCZTQSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2ccc(Cl)o2)CC[C@H]1C ZINC001071352173 801532542 /nfs/dbraw/zinc/53/25/42/801532542.db2.gz NQFMDWIJHCPVLM-VXGBXAGGSA-N 1 1 296.798 3.092 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C2=CCCCCC2)CC[C@H]1C ZINC001071457618 801536315 /nfs/dbraw/zinc/53/63/15/801536315.db2.gz KHQDYGZCTNYLGL-ZBFHGGJFSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)C(F)=C2CCCC2)CC[C@@H]1C ZINC001071427127 801536920 /nfs/dbraw/zinc/53/69/20/801536920.db2.gz GIAIFCQICGJSJM-DZGCQCFKSA-N 1 1 294.414 3.329 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)C2(C3CC3)CC2)CC[C@@H]1C ZINC001071597784 801543564 /nfs/dbraw/zinc/54/35/64/801543564.db2.gz OANWDBOSERJKBW-GOEBONIOSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)C2(C)CCC2)CC[C@@H]1C ZINC001071741602 801548080 /nfs/dbraw/zinc/54/80/80/801548080.db2.gz HRHKBLCYBOBYLD-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)co2)CC[C@H]1C ZINC001071749666 801548878 /nfs/dbraw/zinc/54/88/78/801548878.db2.gz XDJREMNSRLPOCT-CABCVRRESA-N 1 1 290.407 3.137 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)c(C)c2)CC[C@H]1C ZINC001072044807 801563513 /nfs/dbraw/zinc/56/35/13/801563513.db2.gz NNHVRFPLBZDPFU-WBVHZDCISA-N 1 1 286.419 3.072 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](C2CCN(C(C)=O)CC2)CC1 ZINC001075443109 801601295 /nfs/dbraw/zinc/60/12/95/801601295.db2.gz HSQDZEJBEHBETD-KRWDZBQOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CC3(C)CCCC3)[C@@H]2C1 ZINC001075758522 801611097 /nfs/dbraw/zinc/61/10/97/801611097.db2.gz BONSXAXEFYYMGP-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C2CCCC2)C1 ZINC001079866775 801647688 /nfs/dbraw/zinc/64/76/88/801647688.db2.gz XSWMBFROQPJUKL-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C)CCC(C)CC2)C1 ZINC001081019926 801660002 /nfs/dbraw/zinc/66/00/02/801660002.db2.gz KFXPEAPXMHFHGK-GARNVTTQSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C=C)cc3)[C@@H]2C1 ZINC001084677116 801669541 /nfs/dbraw/zinc/66/95/41/801669541.db2.gz WQTKMCDNDIGIPA-QZTJIDSGSA-N 1 1 296.414 3.052 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1sccc1Cl ZINC001085611592 801696071 /nfs/dbraw/zinc/69/60/71/801696071.db2.gz WQUSOMPITWINMR-LLVKDONJSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C)c(C)c1 ZINC001085957145 801714737 /nfs/dbraw/zinc/71/47/37/801714737.db2.gz UQUAAWAYVGNMKU-QGZVFWFLSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CCC=CCC1 ZINC001085976204 801714770 /nfs/dbraw/zinc/71/47/70/801714770.db2.gz QJNZAUIZFFKZOG-KRWDZBQOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(C2CC2)c1 ZINC001085990861 801717569 /nfs/dbraw/zinc/71/75/69/801717569.db2.gz AFZWENBQESEKFS-SFHVURJKSA-N 1 1 298.430 3.286 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccsc2C)[C@H]1CC ZINC001087566972 801756216 /nfs/dbraw/zinc/75/62/16/801756216.db2.gz OLCIJOXWVBDVLU-LSDHHAIUSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2CCC(=C)CC2)[C@H]1CC ZINC001087713763 801764188 /nfs/dbraw/zinc/76/41/88/801764188.db2.gz HPLPCTBSVOODTN-DLBZAZTESA-N 1 1 290.451 3.278 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](C[C@H](F)CC)[C@@H]2CC)C1 ZINC001087717815 801766541 /nfs/dbraw/zinc/76/65/41/801766541.db2.gz PJXOLDMTIPDZSF-QLFBSQMISA-N 1 1 296.430 3.060 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC23CCCC3)[C@H]1CC ZINC001087785334 801768455 /nfs/dbraw/zinc/76/84/55/801768455.db2.gz CIDBQIRPLVYSNO-HRCADAONSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C)cc2)[C@H]1CC ZINC001087807679 801769015 /nfs/dbraw/zinc/76/90/15/801769015.db2.gz ZMQVIZFSJBOMID-DLBZAZTESA-N 1 1 286.419 3.154 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C(C)C)C[C@@H]2C1 ZINC001088127032 801772591 /nfs/dbraw/zinc/77/25/91/801772591.db2.gz JITNBPBWXWCDRE-ZACQAIPSSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C(C)(C)C)C[C@@H]2C1 ZINC001088013039 801773342 /nfs/dbraw/zinc/77/33/42/801773342.db2.gz NGSGXYDDXWHHKZ-OAGGEKHMSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC3(CC3)C2)[C@H]1C ZINC001088565215 801801708 /nfs/dbraw/zinc/80/17/08/801801708.db2.gz HDSISZFKAZKJDQ-PMPSAXMXSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)cs2)[C@H]1C ZINC001088898600 801813269 /nfs/dbraw/zinc/81/32/69/801813269.db2.gz MKKIDYLTXDZUQG-PWSUYJOCSA-N 1 1 298.839 3.170 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccsc2Cl)[C@H]1C ZINC001088899974 801813291 /nfs/dbraw/zinc/81/32/91/801813291.db2.gz KBQHWNBFMGLPQH-PWSUYJOCSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)CC2CCC(C)(C)CC2)[C@H]1C ZINC001089087086 801822287 /nfs/dbraw/zinc/82/22/87/801822287.db2.gz QFIPKVOFBQLKOF-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2CCCCC2)CC(C)(C)C1 ZINC001089303418 801831561 /nfs/dbraw/zinc/83/15/61/801831561.db2.gz OMZPUYFWDRQLDK-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CC(C)C1 ZINC001089626494 801845468 /nfs/dbraw/zinc/84/54/68/801845468.db2.gz KDDQCTPXUTZVNL-GPANFISMSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CC(C)(C)C1 ZINC001089638453 801849785 /nfs/dbraw/zinc/84/97/85/801849785.db2.gz XPNJNVBEZXUUEM-OAHLLOKOSA-N 1 1 292.467 3.215 20 30 CGEDMO COc1cccc2c1CC[C@@H]([N@H+]1CCC[C@H](CC#N)C1)C2 ZINC001256649319 806940319 /nfs/dbraw/zinc/94/03/19/806940319.db2.gz BLPBKTVIQHWEDI-GDBMZVCRSA-N 1 1 284.403 3.178 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1=CCCCC1)C2 ZINC001096883728 801894360 /nfs/dbraw/zinc/89/43/60/801894360.db2.gz TVNMEQBBJZXJPE-ZACQAIPSSA-N 1 1 288.435 3.175 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C)CCCCC1)C2 ZINC001097778120 801905334 /nfs/dbraw/zinc/90/53/34/801905334.db2.gz SBGGCPPOYZGKEM-OAGGEKHMSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(C)=C2CCC2)C1 ZINC001098829217 801916337 /nfs/dbraw/zinc/91/63/37/801916337.db2.gz DCYTZZRHQATTQV-WMZOPIPTSA-N 1 1 288.435 3.034 20 30 CGEDMO C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H]1C=CCC1 ZINC001098888376 801918301 /nfs/dbraw/zinc/91/83/01/801918301.db2.gz MOTRFULKIUXAGJ-JKSUJKDBSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC1CC1 ZINC001098987388 801923765 /nfs/dbraw/zinc/92/37/65/801923765.db2.gz AUIQRVNPAYNYMS-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)/C(C)=C/C ZINC001099016801 801926853 /nfs/dbraw/zinc/92/68/53/801926853.db2.gz NCXAWNMBUGCAIC-LULHVWEPSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)=C1CCC1 ZINC001099060905 801928105 /nfs/dbraw/zinc/92/81/05/801928105.db2.gz PODAHCCHADWLBQ-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCF ZINC001099171492 801930911 /nfs/dbraw/zinc/93/09/11/801930911.db2.gz QGHRCNSITIGXSX-CQSZACIVSA-N 1 1 298.446 3.165 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCF ZINC001099171492 801930914 /nfs/dbraw/zinc/93/09/14/801930914.db2.gz QGHRCNSITIGXSX-CQSZACIVSA-N 1 1 298.446 3.165 20 30 CGEDMO C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](F)CC ZINC001099174780 801932780 /nfs/dbraw/zinc/93/27/80/801932780.db2.gz BVXCBDHLLFNPFW-HUUCEWRRSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)C(C)C ZINC001099251160 801934057 /nfs/dbraw/zinc/93/40/57/801934057.db2.gz GZZPQAOZLXKZGI-CABCVRRESA-N 1 1 280.456 3.071 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC ZINC001099193717 801934182 /nfs/dbraw/zinc/93/41/82/801934182.db2.gz FZVSDOYOXUMNOW-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)/C=C/C(C)(C)C)[C@H](C)C1 ZINC001101825067 801991682 /nfs/dbraw/zinc/99/16/82/801991682.db2.gz MWBJEPWZGQNZBM-WQYAIIHGSA-N 1 1 298.858 3.025 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](CNC(=O)C2(CC)CCC2)[C@H](C)C1 ZINC001102254703 802002573 /nfs/dbraw/zinc/00/25/73/802002573.db2.gz LBQGCBQGQJSYDQ-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](CNC(=O)C[C@H](C)CC(C)(C)C)[C@H](C)C1 ZINC001102400216 802007144 /nfs/dbraw/zinc/00/71/44/802007144.db2.gz AGCPAMRZLQNEBC-ARFHVFGLSA-N 1 1 294.483 3.319 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@H](CC)CCC)[C@H](C)C1 ZINC001102484952 802008936 /nfs/dbraw/zinc/00/89/36/802008936.db2.gz DCMHDNNJDUYNBL-BRWVUGGUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)C2CCCC2)[C@H](C)C1 ZINC001102507417 802012030 /nfs/dbraw/zinc/01/20/30/802012030.db2.gz ZVYXIURCQFUOFL-HLLBOEOZSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccsc2)C1 ZINC001102655746 802017648 /nfs/dbraw/zinc/01/76/48/802017648.db2.gz UYDNCXQADYADIE-ZIAGYGMSSA-N 1 1 292.448 3.012 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)C(C)C)C1 ZINC001102765949 802018978 /nfs/dbraw/zinc/01/89/78/802018978.db2.gz MHOMSUYSKSGJGB-BRWVUGGUSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)CCCC)C1 ZINC001102935938 802024069 /nfs/dbraw/zinc/02/40/69/802024069.db2.gz ZGJRONOBQXYYOL-GVDBMIGSSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC(CC=C)C(=O)NCC[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC001103024992 802026091 /nfs/dbraw/zinc/02/60/91/802026091.db2.gz NKDPLJPKHAGSAL-NVXWUHKLSA-N 1 1 292.467 3.237 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC(C)(C)CC)C1 ZINC001103026455 802027072 /nfs/dbraw/zinc/02/70/72/802027072.db2.gz NPYXCFVSIBUZDM-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)CC)C1 ZINC001103386992 802033331 /nfs/dbraw/zinc/03/33/31/802033331.db2.gz CUDVSFLKGRZLQR-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC(C)(C)C(=O)NCC[C@@H]1C[N@@H+](CCC)C[C@H]1C ZINC001103475177 802035824 /nfs/dbraw/zinc/03/58/24/802035824.db2.gz XRNNKYVNCDKPHC-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)/C(C)=C\C)CCC[C@@H]12 ZINC001107355595 802085023 /nfs/dbraw/zinc/08/50/23/802085023.db2.gz JGXIJZPBHJNZLJ-ZKGZXTOQSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)C=C(CC)CC)CCC[C@@H]12 ZINC001107361248 802087932 /nfs/dbraw/zinc/08/79/32/802087932.db2.gz GJOFEXOVOHQBNX-SJLPKXTDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)/C=C(/C)CC)CCC[C@@H]12 ZINC001107394012 802088655 /nfs/dbraw/zinc/08/86/55/802088655.db2.gz SUNREKITHGZTGZ-QFDIJNKRSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(C)C)C2 ZINC001108883255 802102169 /nfs/dbraw/zinc/10/21/69/802102169.db2.gz NYLOSASBVOYJQK-FZKCQIBNSA-N 1 1 278.440 3.109 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCCC1)C2 ZINC001108847264 802102522 /nfs/dbraw/zinc/10/25/22/802102522.db2.gz OTNJOOMBSFEWNS-ORQFMDKSSA-N 1 1 290.451 3.253 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C=C(\C)C1CC1)C2 ZINC001109005443 802105603 /nfs/dbraw/zinc/10/56/03/802105603.db2.gz XMLDUCZVKINLPA-XUCSWBIRSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(CC)CC)C2 ZINC001108959219 802105913 /nfs/dbraw/zinc/10/59/13/802105913.db2.gz IQGQZNAAFHNZOX-SIXLDLHFSA-N 1 1 292.467 3.499 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C=C1CCC1)C2 ZINC001109135223 802110189 /nfs/dbraw/zinc/11/01/89/802110189.db2.gz XCUFFHHBHIDTQV-SIXLDLHFSA-N 1 1 288.435 3.173 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CC(=C)C)C2 ZINC001109634286 802120850 /nfs/dbraw/zinc/12/08/50/802120850.db2.gz JIHAKIRPFICMMT-NCOADZHNSA-N 1 1 290.451 3.276 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1 ZINC001109634398 802121320 /nfs/dbraw/zinc/12/13/20/802121320.db2.gz LJHHBZYPDGPJDG-ORQFMDKSSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)CC(C)(C)C)C2 ZINC001109804476 802124303 /nfs/dbraw/zinc/12/43/03/802124303.db2.gz QBNAEALFWSHRHW-FZKCQIBNSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)CC=C)C2 ZINC001109767701 802125316 /nfs/dbraw/zinc/12/53/16/802125316.db2.gz HEJOINOTHFQWDT-PMPSAXMXSA-N 1 1 290.451 3.276 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](F)CCCCCC)C2 ZINC001109978506 802128817 /nfs/dbraw/zinc/12/88/17/802128817.db2.gz AJKYQAVWJMDYIV-UGUYLWEFSA-N 1 1 296.430 3.202 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CC=C)CCCC1)C2 ZINC001110212879 802131154 /nfs/dbraw/zinc/13/11/54/802131154.db2.gz SWPAFQHSBMUZOY-PMPSAXMXSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC=C)C2 ZINC001110378738 802138312 /nfs/dbraw/zinc/13/83/12/802138312.db2.gz FDDDGACLFRYHQZ-ZACQAIPSSA-N 1 1 290.451 3.421 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)CCC)C2 ZINC001110374744 802138955 /nfs/dbraw/zinc/13/89/55/802138955.db2.gz MCBAHMDSQFXRFU-FPCVCCKLSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC ZINC001110595622 802144247 /nfs/dbraw/zinc/14/42/47/802144247.db2.gz ZCURSVQVVXUDFQ-ZACQAIPSSA-N 1 1 290.451 3.276 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)/C=C(/C)CC)C2 ZINC001110535601 802144785 /nfs/dbraw/zinc/14/47/85/802144785.db2.gz RQWYMLRADTWZKW-LYQWZEQMSA-N 1 1 290.451 3.419 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1(C)CC1)C2 ZINC001110832959 802146478 /nfs/dbraw/zinc/14/64/78/802146478.db2.gz QUVDVXCPXKNPNN-FPCVCCKLSA-N 1 1 290.451 3.253 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](F)CC ZINC001110892291 802148015 /nfs/dbraw/zinc/14/80/15/802148015.db2.gz UKOMGQJDHKPETK-TUVASFSCSA-N 1 1 296.430 3.058 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](F)CC ZINC001110892291 802148018 /nfs/dbraw/zinc/14/80/18/802148018.db2.gz UKOMGQJDHKPETK-TUVASFSCSA-N 1 1 296.430 3.058 20 30 CGEDMO CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1C)C2 ZINC001110896531 802148249 /nfs/dbraw/zinc/14/82/49/802148249.db2.gz QNUCEBLKISUFNF-HHARLNAUSA-N 1 1 292.467 3.334 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C)CCC1)C2 ZINC001110896811 802149344 /nfs/dbraw/zinc/14/93/44/802149344.db2.gz WFAWDOMPXXRALM-JJXSEGSLSA-N 1 1 290.451 3.253 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C=C)CC)C2 ZINC001110934862 802150314 /nfs/dbraw/zinc/15/03/14/802150314.db2.gz PLMDRSDFOSXGDM-VQHPVUNQSA-N 1 1 290.451 3.276 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC1(C)C)C2 ZINC001110918822 802150891 /nfs/dbraw/zinc/15/08/91/802150891.db2.gz UVXLQCVPRAXSDE-QXSJWSMHSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C\Cl ZINC001110984616 802152240 /nfs/dbraw/zinc/15/22/40/802152240.db2.gz JWNKAOKJVSQGND-QQFHXZJESA-N 1 1 296.842 3.063 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C/C=C\Cl ZINC001110984616 802152242 /nfs/dbraw/zinc/15/22/42/802152242.db2.gz JWNKAOKJVSQGND-QQFHXZJESA-N 1 1 296.842 3.063 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(=C)C ZINC001110989685 802153030 /nfs/dbraw/zinc/15/30/30/802153030.db2.gz SAVCHUKQJNOXDN-XLMAVXFVSA-N 1 1 290.451 3.276 20 30 CGEDMO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCCCCCC)C2 ZINC001111313598 802157663 /nfs/dbraw/zinc/15/76/63/802157663.db2.gz LYQUZMPYTIXEEO-ZACQAIPSSA-N 1 1 290.451 3.092 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)/C=C(/C)CC)C1 ZINC001111737780 802168311 /nfs/dbraw/zinc/16/83/11/802168311.db2.gz OAQJSZUWZJFFSO-VMUKQMOUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(C)C)C2 ZINC001111850944 802170572 /nfs/dbraw/zinc/17/05/72/802170572.db2.gz ZVAMRBCSKPXZQZ-RYRKJORJSA-N 1 1 292.467 3.215 20 30 CGEDMO C#CCCCC(=O)N1CC[NH+]([C@H](C)c2cccc(C)c2)CC1 ZINC001112809627 802189988 /nfs/dbraw/zinc/18/99/88/802189988.db2.gz MXACGHYQPDIJMI-QGZVFWFLSA-N 1 1 298.430 3.004 20 30 CGEDMO C=CCCC1(C(=O)N2CC[NH+](CC/C=C/CC)CC2)CC1 ZINC001113311009 802214599 /nfs/dbraw/zinc/21/45/99/802214599.db2.gz YBLDNFJSIZZTLY-FNORWQNLSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)C1CC(C)(C)C1 ZINC001266388240 808254654 /nfs/dbraw/zinc/25/46/54/808254654.db2.gz WIWTUNATLLTGRT-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(Cl)COc1ccc([C@H](C)NC[C@@H](C)C[NH2+]C)cc1 ZINC001118057648 802521641 /nfs/dbraw/zinc/52/16/41/802521641.db2.gz FTWKTDUZXYTASU-JSGCOSHPSA-N 1 1 296.842 3.324 20 30 CGEDMO C=CCN1CC[C@@]2(CCC[N@@H+]2C[C@H](C)c2ccccc2)C1=O ZINC001273080401 808832897 /nfs/dbraw/zinc/83/28/97/808832897.db2.gz YKGCOSTZRWONER-LPHOPBHVSA-N 1 1 298.430 3.043 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC001118639635 802591891 /nfs/dbraw/zinc/59/18/91/802591891.db2.gz RPDVWMIGMBGARL-ZDUSSCGKSA-N 1 1 281.783 3.131 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@H+]1CC2CCC1CC2)c1ccccc1 ZINC001119309279 802646678 /nfs/dbraw/zinc/64/66/78/802646678.db2.gz URMRAZQSYXQNHK-NKELODKYSA-N 1 1 296.414 3.301 20 30 CGEDMO C[N@H+](Cc1cnn(CC2CCC2)c1)Cc1cccc(C#N)c1 ZINC001119933420 802709619 /nfs/dbraw/zinc/70/96/19/802709619.db2.gz FVBOTBGJEKVBQV-UHFFFAOYSA-N 1 1 294.402 3.187 20 30 CGEDMO C[N@@H+](Cc1cnn(CC2CCC2)c1)Cc1cccc(C#N)c1 ZINC001119933420 802709620 /nfs/dbraw/zinc/70/96/20/802709620.db2.gz FVBOTBGJEKVBQV-UHFFFAOYSA-N 1 1 294.402 3.187 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCCCC)C1 ZINC001120318212 802739931 /nfs/dbraw/zinc/73/99/31/802739931.db2.gz FBJOUKGNOHIVBY-SJORKVTESA-N 1 1 292.467 3.456 20 30 CGEDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1Nc1ccc2cc(C#N)ccc2n1 ZINC001120824483 802784615 /nfs/dbraw/zinc/78/46/15/802784615.db2.gz SEJZMUJRTHBZIA-SJKOYZFVSA-N 1 1 292.386 3.001 20 30 CGEDMO C[N@H+]1CC[C@H](c2ccc(-c3ccc(N)c(C#N)c3)cc2)C1 ZINC001244116395 803194872 /nfs/dbraw/zinc/19/48/72/803194872.db2.gz JJNWKKZERZRIBB-INIZCTEOSA-N 1 1 277.371 3.227 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[C@H](C)[N@H+](CCCCCF)C1 ZINC001131895651 803356280 /nfs/dbraw/zinc/35/62/80/803356280.db2.gz LBNKWRJHOPGAIV-GJZGRUSLSA-N 1 1 284.419 3.062 20 30 CGEDMO C#CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCCCCC)C1 ZINC001131996567 803365784 /nfs/dbraw/zinc/36/57/84/803365784.db2.gz VRJOZNSWUAZIQY-IRXDYDNUSA-N 1 1 292.467 3.339 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](CCC)C1 ZINC001132077956 803372783 /nfs/dbraw/zinc/37/27/83/803372783.db2.gz JTHUYLFXCYJGOY-AAEUAGOBSA-N 1 1 286.847 3.144 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)C2(CC(C)C)CC2)CC[C@H]1C ZINC001132086957 803373381 /nfs/dbraw/zinc/37/33/81/803373381.db2.gz KYHHJNAXUJHETG-HZPDHXFCSA-N 1 1 292.467 3.358 20 30 CGEDMO CC#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCC(C)C)C1 ZINC001132225125 803381441 /nfs/dbraw/zinc/38/14/41/803381441.db2.gz SSUAJUCIINAKSP-IAGOWNOFSA-N 1 1 292.467 3.195 20 30 CGEDMO C#CCCCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=C)C)C1 ZINC001132228287 803383289 /nfs/dbraw/zinc/38/32/89/803383289.db2.gz OMWRYXGDVCZJBX-DLBZAZTESA-N 1 1 290.451 3.115 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCC(C)C)C1 ZINC001132228198 803384073 /nfs/dbraw/zinc/38/40/73/803384073.db2.gz NPILXIBRDMFDBY-LSDHHAIUSA-N 1 1 280.456 3.214 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)C2(C(C)C)CC2)CC[C@@H]1C ZINC001132283043 803392346 /nfs/dbraw/zinc/39/23/46/803392346.db2.gz QJCIGFBMPQMARO-JKSUJKDBSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C2(CC=C)CCCC2)CC[C@H]1C ZINC001132545936 803413194 /nfs/dbraw/zinc/41/31/94/803413194.db2.gz HBPWBNDZJYSTLQ-CVEARBPZSA-N 1 1 290.451 3.278 20 30 CGEDMO COc1ccc(-c2ccc3c(c2)CC[N@H+](C)C3)cc1C#N ZINC001244709966 803508654 /nfs/dbraw/zinc/50/86/54/803508654.db2.gz RBNRIAZRMNGGBY-UHFFFAOYSA-N 1 1 278.355 3.222 20 30 CGEDMO C=C1CC(C)(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](CC)C2)C1 ZINC001136759893 803651421 /nfs/dbraw/zinc/65/14/21/803651421.db2.gz PBSJECWISGEQTD-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO Cc1ccc2c(C[N@@H+]3CC[C@@](C)(C#N)C3)c[nH]c2c1 ZINC001136975417 803665638 /nfs/dbraw/zinc/66/56/38/803665638.db2.gz FUDLSLIBPBDFSQ-INIZCTEOSA-N 1 1 253.349 3.212 20 30 CGEDMO Cc1ccc2c(C[N@H+]3CC[C@@](C)(C#N)C3)c[nH]c2c1 ZINC001136975417 803665640 /nfs/dbraw/zinc/66/56/40/803665640.db2.gz FUDLSLIBPBDFSQ-INIZCTEOSA-N 1 1 253.349 3.212 20 30 CGEDMO C#CC1CC[NH+](Cc2c(F)cccc2Br)CC1 ZINC001137467861 803734410 /nfs/dbraw/zinc/73/44/10/803734410.db2.gz SOBCTIYJCVFUDV-UHFFFAOYSA-N 1 1 296.183 3.433 20 30 CGEDMO N#C[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138219778 803874152 /nfs/dbraw/zinc/87/41/52/803874152.db2.gz NRGOKWJZHVIXDE-INIZCTEOSA-N 1 1 269.392 3.022 20 30 CGEDMO N#C[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138219778 803874159 /nfs/dbraw/zinc/87/41/59/803874159.db2.gz NRGOKWJZHVIXDE-INIZCTEOSA-N 1 1 269.392 3.022 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cccc2nccnc12 ZINC001138307763 803891916 /nfs/dbraw/zinc/89/19/16/803891916.db2.gz KUAYAJNTWVAEGP-UHFFFAOYSA-N 1 1 288.354 3.133 20 30 CGEDMO C[N@@H+](Cc1ccc(C#Cc2ccccc2)cc1)[C@H]1CCOC1 ZINC001138336030 803897943 /nfs/dbraw/zinc/89/79/43/803897943.db2.gz IAQMCPUYVLKKLG-FQEVSTJZSA-N 1 1 291.394 3.307 20 30 CGEDMO OC[C@H]1CCC[N@H+]1Cc1ccc(C#Cc2ccccc2)cc1 ZINC001138335371 803897996 /nfs/dbraw/zinc/89/79/96/803897996.db2.gz OJPGZTJHJSFTBZ-HXUWFJFHSA-N 1 1 291.394 3.043 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2C)cc1OC ZINC001138345413 803898388 /nfs/dbraw/zinc/89/83/88/803898388.db2.gz FUIOEIPRRSJXCJ-GJZGRUSLSA-N 1 1 287.403 3.328 20 30 CGEDMO COc1ccc(C[N@@H+]2CCC[C@H](C#N)CC2)cc1Cl ZINC001138473824 803945731 /nfs/dbraw/zinc/94/57/31/803945731.db2.gz CWIXUFUTRBJXLY-LBPRGKRZSA-N 1 1 278.783 3.474 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@H](C#N)CC2)cc1Cl ZINC001138473824 803945734 /nfs/dbraw/zinc/94/57/34/803945734.db2.gz CWIXUFUTRBJXLY-LBPRGKRZSA-N 1 1 278.783 3.474 20 30 CGEDMO COc1ccc(C)cc1C[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001138485178 803949554 /nfs/dbraw/zinc/94/95/54/803949554.db2.gz IGZSTGFGWKLUPG-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO COc1ccc(C)cc1C[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001138485178 803949560 /nfs/dbraw/zinc/94/95/60/803949560.db2.gz IGZSTGFGWKLUPG-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO Cc1ncc(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)s1 ZINC001212125759 814979744 /nfs/dbraw/zinc/97/97/44/814979744.db2.gz JQFGAHHRWMPLIX-UHFFFAOYSA-N 1 1 290.417 3.116 20 30 CGEDMO Cc1ncc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)s1 ZINC001212125759 814979748 /nfs/dbraw/zinc/97/97/48/814979748.db2.gz JQFGAHHRWMPLIX-UHFFFAOYSA-N 1 1 290.417 3.116 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCCCC[C@@H]2C)cc1 ZINC001138559426 803969330 /nfs/dbraw/zinc/96/93/30/803969330.db2.gz UVGPZWGIIKVWEU-HNNXBMFYSA-N 1 1 257.377 3.463 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2CCC[C@](C)(CO)CC2)c1O ZINC001138624343 803982946 /nfs/dbraw/zinc/98/29/46/803982946.db2.gz DYFLPGDAVFRIMS-SFHVURJKSA-N 1 1 289.419 3.105 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2CC[C@H](OCCC)C2)c1O ZINC001138629285 803985220 /nfs/dbraw/zinc/98/52/20/803985220.db2.gz TXRHADRIIMHGBU-INIZCTEOSA-N 1 1 275.392 3.122 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1O ZINC001138627857 803985866 /nfs/dbraw/zinc/98/58/66/803985866.db2.gz HDCBBFLKCCNGAO-FFGGFLGDSA-N 1 1 282.387 3.387 20 30 CGEDMO C=C(C)COc1ccccc1CN1C[C@H](C)[N@H+](C)C[C@H]1C ZINC001138661889 803995595 /nfs/dbraw/zinc/99/55/95/803995595.db2.gz IHEBOPZPLZGFIB-JKSUJKDBSA-N 1 1 288.435 3.166 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1C[C@H](C)N(C)C[C@H]1C ZINC001138661889 803995598 /nfs/dbraw/zinc/99/55/98/803995598.db2.gz IHEBOPZPLZGFIB-JKSUJKDBSA-N 1 1 288.435 3.166 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1C[C@H](C)N(C)C[C@H]1C ZINC001138661889 803995602 /nfs/dbraw/zinc/99/56/02/803995602.db2.gz IHEBOPZPLZGFIB-JKSUJKDBSA-N 1 1 288.435 3.166 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1CCOC(C)(C)C1 ZINC001138663398 803997568 /nfs/dbraw/zinc/99/75/68/803997568.db2.gz VYTZJVJMKLFENS-UHFFFAOYSA-N 1 1 275.392 3.252 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CCOC(C)(C)C1 ZINC001138663398 803997577 /nfs/dbraw/zinc/99/75/77/803997577.db2.gz VYTZJVJMKLFENS-UHFFFAOYSA-N 1 1 275.392 3.252 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC001138673865 804001408 /nfs/dbraw/zinc/00/14/08/804001408.db2.gz FZVKAHGOGMLVLW-NSHDSACASA-N 1 1 251.732 3.324 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC001138673865 804001416 /nfs/dbraw/zinc/00/14/16/804001416.db2.gz FZVKAHGOGMLVLW-NSHDSACASA-N 1 1 251.732 3.324 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[N@@H+]1CCN[C@H](C)C1 ZINC001246019334 804100392 /nfs/dbraw/zinc/10/03/92/804100392.db2.gz DLONWLRQPIQTOB-SJORKVTESA-N 1 1 284.488 3.172 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[N@H+]1CCN[C@H](C)C1 ZINC001246019334 804100396 /nfs/dbraw/zinc/10/03/96/804100396.db2.gz DLONWLRQPIQTOB-SJORKVTESA-N 1 1 284.488 3.172 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@@H](C)[C@](C)(O)CC1 ZINC001139029197 804111568 /nfs/dbraw/zinc/11/15/68/804111568.db2.gz RPEWSWJTDFYRPW-CRAIPNDOSA-N 1 1 289.419 3.234 20 30 CGEDMO Cn1ccc2ccc(C[N@H+]3CCC[C@H](C#N)CC3)cc21 ZINC001139206534 804162224 /nfs/dbraw/zinc/16/22/24/804162224.db2.gz DMZVCGYOBKVKRS-AWEZNQCLSA-N 1 1 267.376 3.304 20 30 CGEDMO CCCCCCC[C@@H](CCC)[NH2+]C[C@]1(O)CCCNC1 ZINC001246232076 804225009 /nfs/dbraw/zinc/22/50/09/804225009.db2.gz QARCBDBLPYWAKK-SJORKVTESA-N 1 1 284.488 3.220 20 30 CGEDMO C#Cc1ccc(CN[C@@H]2C[C@@H](CC)[NH2+][C@@H](CC)C2)cc1 ZINC001246266796 804246875 /nfs/dbraw/zinc/24/68/75/804246875.db2.gz PUDHROCZGZKOTN-BCDXTJNWSA-N 1 1 270.420 3.067 20 30 CGEDMO N#Cc1c(Cl)cccc1C[N@@H+]1C[C@H]2CCCC(=O)[C@@H]2C1 ZINC001139692457 804256181 /nfs/dbraw/zinc/25/61/81/804256181.db2.gz ACIHWBLVJKTKDB-TZMCWYRMSA-N 1 1 288.778 3.013 20 30 CGEDMO N#Cc1c(Cl)cccc1C[N@H+]1C[C@H]2CCCC(=O)[C@@H]2C1 ZINC001139692457 804256190 /nfs/dbraw/zinc/25/61/90/804256190.db2.gz ACIHWBLVJKTKDB-TZMCWYRMSA-N 1 1 288.778 3.013 20 30 CGEDMO N#Cc1c(Cl)cccc1C[NH+]1CCC(S)CC1 ZINC001139692218 804256916 /nfs/dbraw/zinc/25/69/16/804256916.db2.gz RGOYONLSOSANDK-UHFFFAOYSA-N 1 1 266.797 3.106 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cccc3cnccc32)no1 ZINC001212324887 815005217 /nfs/dbraw/zinc/00/52/17/815005217.db2.gz AWONMUZEMRCSPX-HNNXBMFYSA-N 1 1 292.342 3.088 20 30 CGEDMO C=CCC[N@H+](Cc1cnn(CCOC)c1)Cc1ccccc1 ZINC001139782337 804280090 /nfs/dbraw/zinc/28/00/90/804280090.db2.gz FNASFZQYWQRDDF-UHFFFAOYSA-N 1 1 299.418 3.108 20 30 CGEDMO CC(C)[C@@H](N)C[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246330642 804286366 /nfs/dbraw/zinc/28/63/66/804286366.db2.gz DNOFIKZALDCOSZ-ABHNRTSZSA-N 1 1 285.435 3.157 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cc(F)cc(C)c2F)no1 ZINC001212325072 815005846 /nfs/dbraw/zinc/00/58/46/815005846.db2.gz FWDZFYRKSROPGX-LBPRGKRZSA-N 1 1 291.301 3.127 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)[C@@H]1CCCC[C@H]1CC ZINC001139869594 804302337 /nfs/dbraw/zinc/30/23/37/804302337.db2.gz MLKIGXNUILVQFR-HZPDHXFCSA-N 1 1 280.456 3.169 20 30 CGEDMO COc1cccc(CC[N@@H+](C)Cc2cc(F)cc(C#N)c2)c1 ZINC001139875627 804305661 /nfs/dbraw/zinc/30/56/61/804305661.db2.gz XERBWUJTJUPCLR-UHFFFAOYSA-N 1 1 298.361 3.380 20 30 CGEDMO CCCCCCC[C@@H](CC)[NH2+][C@@H]1CNCC[C@H]1F ZINC001246488294 804357236 /nfs/dbraw/zinc/35/72/36/804357236.db2.gz JSFYVCTWNMLBAB-RBSFLKMASA-N 1 1 258.425 3.415 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)C[C@H]1F ZINC001140110901 804379194 /nfs/dbraw/zinc/37/91/94/804379194.db2.gz UVFGPQGDRNVLKZ-IAQYHMDHSA-N 1 1 271.339 3.219 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2ccc(-c3ccncc3)cc2)C1 ZINC001140171793 804394061 /nfs/dbraw/zinc/39/40/61/804394061.db2.gz XOQJNEYPTHFHHE-MRXNPFEDSA-N 1 1 277.371 3.484 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccncc3)cc2)C1 ZINC001140171793 804394069 /nfs/dbraw/zinc/39/40/69/804394069.db2.gz XOQJNEYPTHFHHE-MRXNPFEDSA-N 1 1 277.371 3.484 20 30 CGEDMO CCCCCCCC[C@@H](CC)[N@@H+](C)C[C@@H]1CNCCO1 ZINC001246551166 804401037 /nfs/dbraw/zinc/40/10/37/804401037.db2.gz PFOCOLVSGVLFMD-SJORKVTESA-N 1 1 284.488 3.436 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3C[C@@H](C)CC[C@@H]3CN)C[C@H](C1)C2 ZINC001246553052 804401812 /nfs/dbraw/zinc/40/18/12/804401812.db2.gz ALKYTQTYPAWRMX-UOKSAXCWSA-N 1 1 262.441 3.181 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccc(-c3cncnc3)cc2)CC1 ZINC001140353807 804424187 /nfs/dbraw/zinc/42/41/87/804424187.db2.gz UOFQEMOGBHUKHN-OAHLLOKOSA-N 1 1 292.386 3.269 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1CCC(F)(F)[C@H](N)C1 ZINC001246584840 804427533 /nfs/dbraw/zinc/42/75/33/804427533.db2.gz VFIGWVUJDVBQNK-CHWSQXEVSA-N 1 1 262.388 3.404 20 30 CGEDMO CCCCCCC[C@@H](CCC)[N@H+]1CCN[C@@H](COC)C1 ZINC001246590217 804433941 /nfs/dbraw/zinc/43/39/41/804433941.db2.gz BUJXECNXPUMYDP-IAGOWNOFSA-N 1 1 284.488 3.436 20 30 CGEDMO C[C@H]1c2ccccc2CC[N@H+]1Cc1ccc(C#N)nc1 ZINC001140540125 804457077 /nfs/dbraw/zinc/45/70/77/804457077.db2.gz JZNHQNCXOQZWLK-ZDUSSCGKSA-N 1 1 263.344 3.073 20 30 CGEDMO C[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(C#N)nc1 ZINC001140540125 804457080 /nfs/dbraw/zinc/45/70/80/804457080.db2.gz JZNHQNCXOQZWLK-ZDUSSCGKSA-N 1 1 263.344 3.073 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)nc1)C(C)(C)Cc1ccccc1 ZINC001140546793 804457857 /nfs/dbraw/zinc/45/78/57/804457857.db2.gz VKIAFKVZBUTAON-UHFFFAOYSA-N 1 1 279.387 3.406 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCSC[C@H]2c2ccccc2)cn1 ZINC001140543613 804458082 /nfs/dbraw/zinc/45/80/82/804458082.db2.gz CSWOFKIUHNXECA-KRWDZBQOSA-N 1 1 295.411 3.243 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCSC[C@H]2c2ccccc2)cn1 ZINC001140543613 804458083 /nfs/dbraw/zinc/45/80/83/804458083.db2.gz CSWOFKIUHNXECA-KRWDZBQOSA-N 1 1 295.411 3.243 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2Cl)CC[C@@]1(C)O ZINC001140599775 804471158 /nfs/dbraw/zinc/47/11/58/804471158.db2.gz QLTNWFAHMVQEHP-MLGOLLRUSA-N 1 1 292.810 3.195 20 30 CGEDMO CCCN(CCC#N)[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256917765 807010723 /nfs/dbraw/zinc/01/07/23/807010723.db2.gz LMRSGKLBNIGNOY-INIZCTEOSA-N 1 1 263.429 3.019 20 30 CGEDMO N#Cc1c(F)cc(C[N@@H+]2CCCCC23CC3)cc1F ZINC001140755239 804506039 /nfs/dbraw/zinc/50/60/39/804506039.db2.gz WDQCWHUOAWAYQY-UHFFFAOYSA-N 1 1 262.303 3.355 20 30 CGEDMO N#Cc1c(F)cc(C[N@H+]2CCCCC23CC3)cc1F ZINC001140755239 804506043 /nfs/dbraw/zinc/50/60/43/804506043.db2.gz WDQCWHUOAWAYQY-UHFFFAOYSA-N 1 1 262.303 3.355 20 30 CGEDMO N#Cc1c(F)cc(C[N@H+]2CC[C@@H](c3ccncc3)C2)cc1F ZINC001140754446 804506658 /nfs/dbraw/zinc/50/66/58/804506658.db2.gz ZSOQBQJNJFCZPP-CQSZACIVSA-N 1 1 299.324 3.221 20 30 CGEDMO N#CC1CCC(n2cc(C(=O)C[NH3+])c3ccccc32)CC1 ZINC001256956236 807015474 /nfs/dbraw/zinc/01/54/74/807015474.db2.gz MOJXDZPTRNVFHE-UHFFFAOYSA-N 1 1 281.359 3.038 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(OC)c(N)c1 ZINC001140898639 804545841 /nfs/dbraw/zinc/54/58/41/804545841.db2.gz UKUAUBMYFZNSAO-UHFFFAOYSA-N 1 1 282.387 3.466 20 30 CGEDMO N#CC1CCC([N@H+]2CC[C@](CF)(C(F)(F)F)C2)CC1 ZINC001256964094 807017916 /nfs/dbraw/zinc/01/79/16/807017916.db2.gz QJHJJCVTOJNCEY-HTAVTVPLSA-N 1 1 278.293 3.293 20 30 CGEDMO N#CC1CCC([N@@H+]2CCCC[C@H]2CCN2CCCC2)CC1 ZINC001256968961 807018448 /nfs/dbraw/zinc/01/84/48/807018448.db2.gz UUYNWIBONRVLNF-ADKAHSJRSA-N 1 1 289.467 3.409 20 30 CGEDMO N#CC1CCC([N@H+]2CCCC[C@H]2CCN2CCCC2)CC1 ZINC001256968961 807018453 /nfs/dbraw/zinc/01/84/53/807018453.db2.gz UUYNWIBONRVLNF-ADKAHSJRSA-N 1 1 289.467 3.409 20 30 CGEDMO Cc1ccc2c(c1)C[N@@H+](C1CCC(C#N)CC1)CC2 ZINC001256965364 807018487 /nfs/dbraw/zinc/01/84/87/807018487.db2.gz SBTMTROMMDWAGL-UHFFFAOYSA-N 1 1 254.377 3.436 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2cccc(-c3ncccn3)c2)CC1 ZINC001140980397 804561704 /nfs/dbraw/zinc/56/17/04/804561704.db2.gz WHIOXWMUTNKDME-HNNXBMFYSA-N 1 1 292.386 3.269 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCNC[C@H]1c1cccs1 ZINC001246882586 804577753 /nfs/dbraw/zinc/57/77/53/804577753.db2.gz AKAKIHADGCEUEL-STQMWFEESA-N 1 1 250.411 3.049 20 30 CGEDMO C=CCC[C@H](C)N1CC[NH2+]C[C@H]1c1cccs1 ZINC001246882586 804577758 /nfs/dbraw/zinc/57/77/58/804577758.db2.gz AKAKIHADGCEUEL-STQMWFEESA-N 1 1 250.411 3.049 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141077957 804584886 /nfs/dbraw/zinc/58/48/86/804584886.db2.gz GJFJARWCSVPHRP-MRXNPFEDSA-N 1 1 294.442 3.231 20 30 CGEDMO N#Cc1c(N)sc(C[N@H+]2CCC3(CCC3)C2)c1Cl ZINC001141114258 804591918 /nfs/dbraw/zinc/59/19/18/804591918.db2.gz JMXMPTDGRGVRGK-UHFFFAOYSA-N 1 1 281.812 3.231 20 30 CGEDMO N#Cc1c(N)sc(C[N@@H+]2CCCCC23CC3)c1Cl ZINC001141112752 804592460 /nfs/dbraw/zinc/59/24/60/804592460.db2.gz LNJYIHFOHYJPBP-UHFFFAOYSA-N 1 1 281.812 3.374 20 30 CGEDMO N#Cc1c(N)sc(C[N@H+]2CCCCC23CC3)c1Cl ZINC001141112752 804592465 /nfs/dbraw/zinc/59/24/65/804592465.db2.gz LNJYIHFOHYJPBP-UHFFFAOYSA-N 1 1 281.812 3.374 20 30 CGEDMO CCc1ccccc1C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001141224640 804614183 /nfs/dbraw/zinc/61/41/83/804614183.db2.gz GBKCOURXTWZLGS-HNNXBMFYSA-N 1 1 273.401 3.023 20 30 CGEDMO CCc1ccccc1C[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001141224640 804614188 /nfs/dbraw/zinc/61/41/88/804614188.db2.gz GBKCOURXTWZLGS-HNNXBMFYSA-N 1 1 273.401 3.023 20 30 CGEDMO CCc1ccccc1C[N@H+]1CCC2SC(=O)C=C2C1 ZINC001141224640 804614191 /nfs/dbraw/zinc/61/41/91/804614191.db2.gz GBKCOURXTWZLGS-HNNXBMFYSA-N 1 1 273.401 3.023 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]([C@@H]1CCNC1)C1CCCCC1 ZINC001246980025 804627024 /nfs/dbraw/zinc/62/70/24/804627024.db2.gz QDKZLHBPACJRRW-GDBMZVCRSA-N 1 1 250.430 3.338 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]([C@@H]1CCNC1)C1CCCCC1 ZINC001246980025 804627029 /nfs/dbraw/zinc/62/70/29/804627029.db2.gz QDKZLHBPACJRRW-GDBMZVCRSA-N 1 1 250.430 3.338 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001141293886 804628217 /nfs/dbraw/zinc/62/82/17/804628217.db2.gz NOAVWDIDHQWPTE-UHFFFAOYSA-N 1 1 276.339 3.416 20 30 CGEDMO CSCC[N@H+](C)Cc1cc(Br)ccc1C#N ZINC001141907859 804679194 /nfs/dbraw/zinc/67/91/94/804679194.db2.gz RGMOMXIIMQGJAV-UHFFFAOYSA-N 1 1 299.237 3.116 20 30 CGEDMO CSCC[N@@H+](C)Cc1cc(Br)ccc1C#N ZINC001141907859 804679197 /nfs/dbraw/zinc/67/91/97/804679197.db2.gz RGMOMXIIMQGJAV-UHFFFAOYSA-N 1 1 299.237 3.116 20 30 CGEDMO CSc1nc(C[N@@H+]2CCC[C@@H](C(F)F)C2)ccc1C#N ZINC001141941594 804680803 /nfs/dbraw/zinc/68/08/03/804680803.db2.gz PYUBWXGQIMEAGR-LLVKDONJSA-N 1 1 297.374 3.152 20 30 CGEDMO CSc1nc(C[N@H+]2CCC[C@@H](C(F)F)C2)ccc1C#N ZINC001141941594 804680806 /nfs/dbraw/zinc/68/08/06/804680806.db2.gz PYUBWXGQIMEAGR-LLVKDONJSA-N 1 1 297.374 3.152 20 30 CGEDMO C[N@H+](Cc1[nH]cnc1C(C)(C)C)Cc1cccc(C#N)c1 ZINC001142238730 804706702 /nfs/dbraw/zinc/70/67/02/804706702.db2.gz YBIXRSKTBJBQTB-UHFFFAOYSA-N 1 1 282.391 3.211 20 30 CGEDMO C[N@@H+](Cc1[nH]cnc1C(C)(C)C)Cc1cccc(C#N)c1 ZINC001142238730 804706705 /nfs/dbraw/zinc/70/67/05/804706705.db2.gz YBIXRSKTBJBQTB-UHFFFAOYSA-N 1 1 282.391 3.211 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cccc2[nH]cnc21 ZINC001142693111 804757801 /nfs/dbraw/zinc/75/78/01/804757801.db2.gz USDQKXKQYVYECV-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1cccc2nc[nH]c21 ZINC001142693111 804757807 /nfs/dbraw/zinc/75/78/07/804757807.db2.gz USDQKXKQYVYECV-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cccc2nc[nH]c21 ZINC001142693111 804757810 /nfs/dbraw/zinc/75/78/10/804757810.db2.gz USDQKXKQYVYECV-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO Cc1cccc(NCC[C@@H]2CCC[N@H+](C)C2)c1C#N ZINC001165278380 806985317 /nfs/dbraw/zinc/98/53/17/806985317.db2.gz FTKDQWGRFXBVAY-AWEZNQCLSA-N 1 1 257.381 3.011 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2ccc3scnc3c2)no1 ZINC001247622312 804782772 /nfs/dbraw/zinc/78/27/72/804782772.db2.gz IYMUZFSZAUDZOR-SNVBAGLBSA-N 1 1 286.360 3.312 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cc(Cl)cnc2C)no1 ZINC001247622747 804782932 /nfs/dbraw/zinc/78/29/32/804782932.db2.gz RNQYITOEELECMP-LLVKDONJSA-N 1 1 278.743 3.059 20 30 CGEDMO C[C@@]1(CO)CCC[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)CC1 ZINC001142911956 804783774 /nfs/dbraw/zinc/78/37/74/804783774.db2.gz PRUPKOYXYVDDSG-GOSISDBHSA-N 1 1 297.402 3.024 20 30 CGEDMO CC[C@@H]1CCC[N@H+]1Cc1c[nH]c2cc(C#N)ccc12 ZINC001142921794 804784695 /nfs/dbraw/zinc/78/46/95/804784695.db2.gz VSLAISROJDQTJE-CQSZACIVSA-N 1 1 253.349 3.414 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)C2(CC2)C1 ZINC001142926384 804785207 /nfs/dbraw/zinc/78/52/07/804785207.db2.gz PWPFGXUXIXLWJI-LBPRGKRZSA-N 1 1 265.360 3.414 20 30 CGEDMO C[N@H+]1CCC[C@H](CCNc2ccc(OCCC#N)cc2)C1 ZINC001165289961 806987785 /nfs/dbraw/zinc/98/77/85/806987785.db2.gz MZUQWSPEHPHNDK-OAHLLOKOSA-N 1 1 287.407 3.123 20 30 CGEDMO Cn1nc(-c2ccccc2)cc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001143011675 804795230 /nfs/dbraw/zinc/79/52/30/804795230.db2.gz BAMFQXANNINZPV-HNNXBMFYSA-N 1 1 294.402 3.213 20 30 CGEDMO C[N@H+]1CCC[C@H](CCNc2cc(C#N)cc3[nH]ccc32)C1 ZINC001165290422 806988692 /nfs/dbraw/zinc/98/86/92/806988692.db2.gz UDEMBWBOYYKQOB-CYBMUJFWSA-N 1 1 282.391 3.183 20 30 CGEDMO C[C@@H]1CCC[N@H+](Cc2c(F)ccc(C#N)c2F)[C@@H]1C ZINC001143171186 804815247 /nfs/dbraw/zinc/81/52/47/804815247.db2.gz SXRGBTNHDBJKQT-GHMZBOCLSA-N 1 1 264.319 3.457 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2c(F)ccc(C#N)c2F)[C@@H]1C ZINC001143171186 804815253 /nfs/dbraw/zinc/81/52/53/804815253.db2.gz SXRGBTNHDBJKQT-GHMZBOCLSA-N 1 1 264.319 3.457 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2cccc(Cl)c2C)no1 ZINC001247966876 804858954 /nfs/dbraw/zinc/85/89/54/804858954.db2.gz IKKYUAQCWLTXDT-NSHDSACASA-N 1 1 263.728 3.274 20 30 CGEDMO CC1(C)C[N@H+](Cc2c(Cl)cccc2C#N)[C@](C)(CO)C1 ZINC001143716456 804887459 /nfs/dbraw/zinc/88/74/59/804887459.db2.gz PJPNZSTWVCLIFJ-INIZCTEOSA-N 1 1 292.810 3.195 20 30 CGEDMO CC1(C)C[N@@H+](Cc2c(Cl)cccc2C#N)[C@](C)(CO)C1 ZINC001143716456 804887466 /nfs/dbraw/zinc/88/74/66/804887466.db2.gz PJPNZSTWVCLIFJ-INIZCTEOSA-N 1 1 292.810 3.195 20 30 CGEDMO COc1ccc(F)c(C[NH+]2CCC(CC#N)CC2)c1F ZINC001143979317 804918098 /nfs/dbraw/zinc/91/80/98/804918098.db2.gz ZGTVYDUYMQIJOQ-UHFFFAOYSA-N 1 1 280.318 3.099 20 30 CGEDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc(C#N)cn1 ZINC001144166836 804946761 /nfs/dbraw/zinc/94/67/61/804946761.db2.gz YNFHHUWLVZBPAB-UHFFFAOYSA-N 1 1 294.402 3.041 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCCC3(CC(F)C3)CC2)nc1 ZINC001144163315 804947196 /nfs/dbraw/zinc/94/71/96/804947196.db2.gz AWNMMLDWFXZYBL-UHFFFAOYSA-N 1 1 273.355 3.057 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](Cc2ccc(-n3cccc3)cc2)C1 ZINC001144251521 804962360 /nfs/dbraw/zinc/96/23/60/804962360.db2.gz GUPYQTLHWVAXHV-QGZVFWFLSA-N 1 1 265.360 3.213 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](Cc2ccc(-n3cccc3)cc2)C1 ZINC001144251521 804962364 /nfs/dbraw/zinc/96/23/64/804962364.db2.gz GUPYQTLHWVAXHV-QGZVFWFLSA-N 1 1 265.360 3.213 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@@H+]1CCC(=O)[C@H]2CCCC[C@H]21 ZINC001248748806 804982636 /nfs/dbraw/zinc/98/26/36/804982636.db2.gz WVDONZNUUHZLIE-ZWKOTPCHSA-N 1 1 296.414 3.454 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCC(=O)[C@H]2CCCC[C@H]21 ZINC001248748806 804982641 /nfs/dbraw/zinc/98/26/41/804982641.db2.gz WVDONZNUUHZLIE-ZWKOTPCHSA-N 1 1 296.414 3.454 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1c1ncccn1 ZINC001248752841 804984067 /nfs/dbraw/zinc/98/40/67/804984067.db2.gz DFUZMWGYPNFMCS-QGZVFWFLSA-N 1 1 292.386 3.248 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1c1ncccn1 ZINC001248752841 804984072 /nfs/dbraw/zinc/98/40/72/804984072.db2.gz DFUZMWGYPNFMCS-QGZVFWFLSA-N 1 1 292.386 3.248 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2cnn3ccc(C#N)cc23)C[C@H]1C ZINC001249082533 805084695 /nfs/dbraw/zinc/08/46/95/805084695.db2.gz XBCHPSPMHGQXDV-ZIAGYGMSSA-N 1 1 282.391 3.074 20 30 CGEDMO C=CCCC1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CCCC1 ZINC001166528950 807047748 /nfs/dbraw/zinc/04/77/48/807047748.db2.gz PBXGFSIUAKPDMT-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO CCCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3C)C2)C1 ZINC001146927389 805098582 /nfs/dbraw/zinc/09/85/82/805098582.db2.gz DLZHLKVIFRDJSV-HZPDHXFCSA-N 1 1 292.467 3.147 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1cnc(NC(=O)OC(C)(C)C)[nH]1 ZINC001249424193 805145195 /nfs/dbraw/zinc/14/51/95/805145195.db2.gz DBGIDHRURQABCO-UHFFFAOYSA-N 1 1 294.399 3.155 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cnc(NC(=O)OC(C)(C)C)[nH]1 ZINC001249424193 805145198 /nfs/dbraw/zinc/14/51/98/805145198.db2.gz DBGIDHRURQABCO-UHFFFAOYSA-N 1 1 294.399 3.155 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1c[nH]c(NC(=O)OC(C)(C)C)n1 ZINC001249424193 805145200 /nfs/dbraw/zinc/14/52/00/805145200.db2.gz DBGIDHRURQABCO-UHFFFAOYSA-N 1 1 294.399 3.155 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1c[nH]c(NC(=O)OC(C)(C)C)n1 ZINC001249424193 805145204 /nfs/dbraw/zinc/14/52/04/805145204.db2.gz DBGIDHRURQABCO-UHFFFAOYSA-N 1 1 294.399 3.155 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@@H+](CCC(C)C)C2 ZINC001148124848 805165030 /nfs/dbraw/zinc/16/50/30/805165030.db2.gz IGXUVSGPPWAMTR-INIZCTEOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCCC(=O)N1CC2(C1)CC[N@@H+](CC1CCCC1)C2 ZINC001148180991 805166714 /nfs/dbraw/zinc/16/67/14/805166714.db2.gz GJQWTVTXTMADNT-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO N#Cc1cc(F)c(F)cc1Nc1cc[nH+]cc1C(F)(F)F ZINC001249593840 805185008 /nfs/dbraw/zinc/18/50/08/805185008.db2.gz SDOUTIMBOJMOPF-UHFFFAOYSA-N 1 1 299.202 3.416 20 30 CGEDMO COc1cccc(C#N)c1Nc1cc[nH+]cc1C(F)(F)F ZINC001249590534 805185158 /nfs/dbraw/zinc/18/51/58/805185158.db2.gz UDQKCFMWLWSDPE-UHFFFAOYSA-N 1 1 293.248 3.146 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccc(F)cc1C(=O)OC ZINC001249621596 805190071 /nfs/dbraw/zinc/19/00/71/805190071.db2.gz PFUUSJXRRMVVTA-UHFFFAOYSA-N 1 1 279.355 3.400 20 30 CGEDMO CCCCCCCNC(=S)N[C@H]1CC[N@H+](C2CCC2)C1 ZINC001249649442 805201719 /nfs/dbraw/zinc/20/17/19/805201719.db2.gz RFQWZVADFYQBKC-AWEZNQCLSA-N 1 1 297.512 3.048 20 30 CGEDMO C=CC[N@@H+]1CCC2(CN(C(=O)C(C)(C)CC(C)(C)C)C2)C1 ZINC001148804109 805211201 /nfs/dbraw/zinc/21/12/01/805211201.db2.gz ONWSJAPAUDDDRJ-UHFFFAOYSA-N 1 1 292.467 3.169 20 30 CGEDMO C[N@H+]1CCc2ccc(Nc3ccc(C#N)cc3)cc2C1 ZINC001249712663 805220815 /nfs/dbraw/zinc/22/08/15/805220815.db2.gz DLRLBNNNSGQODO-UHFFFAOYSA-N 1 1 263.344 3.290 20 30 CGEDMO Cc1cc(Nc2nc(C(F)(F)F)ccc2C#N)c[nH+]c1N ZINC001249785234 805246227 /nfs/dbraw/zinc/24/62/27/805246227.db2.gz SIVHWWXTJMVLIM-UHFFFAOYSA-N 1 1 293.252 3.001 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)c1cc(Cl)c[nH]1 ZINC001151841271 805315230 /nfs/dbraw/zinc/31/52/30/805315230.db2.gz DLIRKCKZNJMNBI-GFCCVEGCSA-N 1 1 297.830 3.075 20 30 CGEDMO CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)C(C)C ZINC001151992189 805330762 /nfs/dbraw/zinc/33/07/62/805330762.db2.gz SNBXTJNJPOURLP-OAHLLOKOSA-N 1 1 270.461 3.439 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)CC ZINC001153000853 805379749 /nfs/dbraw/zinc/37/97/49/805379749.db2.gz MOSVDFLSINKGRG-HUUCEWRRSA-N 1 1 268.445 3.215 20 30 CGEDMO C#CCCCC(=O)NC[C@@H](C)[N@H+](CC)CC(CC)CC ZINC001153025045 805381417 /nfs/dbraw/zinc/38/14/17/805381417.db2.gz MQRNGQUOTCDXRM-OAHLLOKOSA-N 1 1 280.456 3.053 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)c1cc(C)cs1 ZINC001153197560 805387017 /nfs/dbraw/zinc/38/70/17/805387017.db2.gz KMDIBGHBMWRHSP-CQSZACIVSA-N 1 1 294.464 3.463 20 30 CGEDMO CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)c1cc[nH]c1 ZINC001153533119 805401983 /nfs/dbraw/zinc/40/19/83/805401983.db2.gz QSFSPFRBUOFXCE-OAHLLOKOSA-N 1 1 293.455 3.425 20 30 CGEDMO C=CCC(CC=C)C(=O)NC[C@@H](C)[N@H+](CC)CC(=C)Cl ZINC001153566741 805402984 /nfs/dbraw/zinc/40/29/84/805402984.db2.gz LDMDOOKXPFKYTC-CQSZACIVSA-N 1 1 298.858 3.334 20 30 CGEDMO C=CCC(CC=C)C(=O)NC[C@@H](C)[N@@H+](CC)CC(=C)Cl ZINC001153566741 805402986 /nfs/dbraw/zinc/40/29/86/805402986.db2.gz LDMDOOKXPFKYTC-CQSZACIVSA-N 1 1 298.858 3.334 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](CC)CCCC ZINC001154385632 805453971 /nfs/dbraw/zinc/45/39/71/805453971.db2.gz OMEFOVJWUHGPQF-SJORKVTESA-N 1 1 294.483 3.443 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)CCCCCF ZINC001154606000 805467298 /nfs/dbraw/zinc/46/72/98/805467298.db2.gz WEQBFMSYUPFMRI-CQSZACIVSA-N 1 1 286.435 3.165 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC1(C)C ZINC001154692288 805478592 /nfs/dbraw/zinc/47/85/92/805478592.db2.gz CUTAKVVOZQCEGT-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)C1(CC)CCC1 ZINC001154712667 805480108 /nfs/dbraw/zinc/48/01/08/805480108.db2.gz RUXNBYLZDFAALQ-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H](C)[N@@H+](CC)CC(C)C ZINC001155040715 805529363 /nfs/dbraw/zinc/52/93/63/805529363.db2.gz CRSBVPWNLYCCJK-GDBMZVCRSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001155149256 805545469 /nfs/dbraw/zinc/54/54/69/805545469.db2.gz GYKGHVOPUMITDH-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)Cc1ccccc1Br ZINC001256843852 806991650 /nfs/dbraw/zinc/99/16/50/806991650.db2.gz ISHJYCFFUCJCHQ-LLVKDONJSA-N 1 1 268.198 3.498 20 30 CGEDMO Cn1ccc2c[nH+]c(NC(C)(C)c3ccc(C#N)cc3)nc21 ZINC001165734938 807017155 /nfs/dbraw/zinc/01/71/55/807017155.db2.gz RWFCBGAFKHPLQM-UHFFFAOYSA-N 1 1 291.358 3.187 20 30 CGEDMO COc1cccc2c1C[N@H+](C1CCC(C#N)CC1)C2 ZINC001256973675 807021944 /nfs/dbraw/zinc/02/19/44/807021944.db2.gz VYOZTQVJPSHJNN-UHFFFAOYSA-N 1 1 256.349 3.093 20 30 CGEDMO N#Cc1ccc(C2CCC(N3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC001257011656 807026561 /nfs/dbraw/zinc/02/65/61/807026561.db2.gz WTQDZPXEMLSDJM-LXPRWKDFSA-N 1 1 283.419 3.008 20 30 CGEDMO N#Cc1ccc(C2CCC([N@@H+]3CCC[C@@H](N)C3)CC2)cc1 ZINC001257011656 807026570 /nfs/dbraw/zinc/02/65/70/807026570.db2.gz WTQDZPXEMLSDJM-LXPRWKDFSA-N 1 1 283.419 3.008 20 30 CGEDMO N#Cc1ccc(C2CCC([N@H+]3CCC[C@@H](N)C3)CC2)cc1 ZINC001257011656 807026580 /nfs/dbraw/zinc/02/65/80/807026580.db2.gz WTQDZPXEMLSDJM-LXPRWKDFSA-N 1 1 283.419 3.008 20 30 CGEDMO N#Cc1ccc(C2CCC([N@H+]3CCOCC34CC4)CC2)cc1 ZINC001257019209 807028703 /nfs/dbraw/zinc/02/87/03/807028703.db2.gz KMXOGGICBOKAHB-UHFFFAOYSA-N 1 1 296.414 3.449 20 30 CGEDMO Cc1ccc(CN(C)c2ccc(CC#N)c(C)[nH+]2)cc1 ZINC001166538660 807052465 /nfs/dbraw/zinc/05/24/65/807052465.db2.gz HBRLKFOVTDTPAR-UHFFFAOYSA-N 1 1 265.360 3.401 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@H](C)Cc2ccc(C(=O)OCC)cc2)C1 ZINC001257165912 807058624 /nfs/dbraw/zinc/05/86/24/807058624.db2.gz XDOYZECSHLCWSJ-CVEARBPZSA-N 1 1 299.414 3.140 20 30 CGEDMO CN(CCc1cccs1)c1[nH+]ccc2[nH]cc(C#N)c21 ZINC001166679669 807080667 /nfs/dbraw/zinc/08/06/67/807080667.db2.gz LMMPGQFIQFAEJH-UHFFFAOYSA-N 1 1 282.372 3.175 20 30 CGEDMO N#CC[C@H]1CCCN(c2ccc3c([nH+]2)CCCC3)C1 ZINC001166743427 807090766 /nfs/dbraw/zinc/09/07/66/807090766.db2.gz RXHGRXCYZFLNGW-CYBMUJFWSA-N 1 1 255.365 3.090 20 30 CGEDMO Cc1ccc(CC#N)c(N(C)CCc2ccc(F)cc2)[nH+]1 ZINC001166820877 807104238 /nfs/dbraw/zinc/10/42/38/807104238.db2.gz CDVWIHDPSCGLTF-UHFFFAOYSA-N 1 1 283.350 3.274 20 30 CGEDMO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@H]2CCCC[C@H]2C)c1 ZINC001167072991 807142975 /nfs/dbraw/zinc/14/29/75/807142975.db2.gz WWZLWYGDXPCRGA-NVXWUHKLSA-N 1 1 298.430 3.365 20 30 CGEDMO CC[C@@H](C)[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001257447968 807162846 /nfs/dbraw/zinc/16/28/46/807162846.db2.gz NXNFOFHEYPSQMI-CZUORRHYSA-N 1 1 258.365 3.200 20 30 CGEDMO C=CC[N@@H+](CC1CCCCC1)[C@@H](C)C(=O)N(C)C(C)C ZINC001167387012 807189066 /nfs/dbraw/zinc/18/90/66/807189066.db2.gz NEJIRXISZLAXDW-HNNXBMFYSA-N 1 1 280.456 3.310 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC001167433801 807192388 /nfs/dbraw/zinc/19/23/88/807192388.db2.gz MFQYGFSEQUAVDS-ZBFHGGJFSA-N 1 1 259.368 3.492 20 30 CGEDMO CCCCCCCCCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](CO)C1 ZINC001257550691 807196396 /nfs/dbraw/zinc/19/63/96/807196396.db2.gz QUZOKOIVJNKTMP-YESZJQIVSA-N 1 1 285.472 3.191 20 30 CGEDMO C[C@H](Cc1ccc(Br)cc1)[N@H+]1CC[C@H](C#N)C1 ZINC001257563530 807198590 /nfs/dbraw/zinc/19/85/90/807198590.db2.gz GKUMRNOFJIQCAY-DGCLKSJQSA-N 1 1 293.208 3.226 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+](C)C3CCN(C)CC3)C[C@H](C1)C2 ZINC001257889890 807239752 /nfs/dbraw/zinc/23/97/52/807239752.db2.gz MURJKSOZCCMOML-FKEKPDDDSA-N 1 1 262.441 3.147 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1C[C@@H]2CN(CC)CCO[C@@H]2C1 ZINC001258047078 807274545 /nfs/dbraw/zinc/27/45/45/807274545.db2.gz GSORDIYSBXTENL-FGTMMUONSA-N 1 1 296.499 3.388 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001258050471 807276342 /nfs/dbraw/zinc/27/63/42/807276342.db2.gz VQWIRQMJHICGTF-CABCVRRESA-N 1 1 268.445 3.288 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CCC[C@H]1C(=O)NCC ZINC001258052142 807278405 /nfs/dbraw/zinc/27/84/05/807278405.db2.gz LHCPLKBMNZIYFO-GJZGRUSLSA-N 1 1 268.445 3.336 20 30 CGEDMO N#Cc1cccc(O[C@@H]2CCC[N@H+]([C@H]3C[C@H]4C[C@H]4C3)C2)c1 ZINC001167950091 807280985 /nfs/dbraw/zinc/28/09/85/807280985.db2.gz BDOVIRJHDNBBCU-MUQADHOPSA-N 1 1 282.387 3.200 20 30 CGEDMO CCCCCCCCC[C@@H](C)[N@@H+](C)CC(=O)NC ZINC001258228816 807377246 /nfs/dbraw/zinc/37/72/46/807377246.db2.gz KGHMXUYIKULFIA-CQSZACIVSA-N 1 1 256.434 3.193 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH2+]C1CCCCCCC1)C(=O)OCC ZINC001258235699 807381750 /nfs/dbraw/zinc/38/17/50/807381750.db2.gz VFPXNFSAHMREEA-CZUORRHYSA-N 1 1 265.397 3.197 20 30 CGEDMO CC[N@@H+](CCC#N)[C@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168655658 807469115 /nfs/dbraw/zinc/46/91/15/807469115.db2.gz ZULMRAPNFVXAJU-DOTOQJQBSA-N 1 1 288.391 3.151 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168658412 807470108 /nfs/dbraw/zinc/47/01/08/807470108.db2.gz ABAMEIVJBNBJEZ-HOCLYGCPSA-N 1 1 261.365 3.033 20 30 CGEDMO N#C[C@H]1CCC[N@H+](C2CCN(c3ccccc3)CC2)CC1 ZINC001258514400 807482162 /nfs/dbraw/zinc/48/21/62/807482162.db2.gz IRAKYMHMEGIWNA-INIZCTEOSA-N 1 1 283.419 3.281 20 30 CGEDMO CC1(C)CC[C@H]([N@H+]2CCc3ccc(C#N)cc3C2)C1 ZINC001258599696 807498265 /nfs/dbraw/zinc/49/82/65/807498265.db2.gz BMBJBUIFLFSXFH-INIZCTEOSA-N 1 1 254.377 3.495 20 30 CGEDMO C=CCC[C@@H](C)NC(=[NH2+])c1ncccc1OCCC ZINC001258724146 807572290 /nfs/dbraw/zinc/57/22/90/807572290.db2.gz OHMMJICUEWANDR-GFCCVEGCSA-N 1 1 261.369 3.140 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](Cc1ccccc1)CC(OC)OC ZINC001258725735 807573573 /nfs/dbraw/zinc/57/35/73/807573573.db2.gz MRLQJXHDNDKVLD-OAHLLOKOSA-N 1 1 277.408 3.462 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCn2c(COCC)cnc2[C@H]1C ZINC001258728149 807574911 /nfs/dbraw/zinc/57/49/11/807574911.db2.gz MIUCYVUSEKNARV-UONOGXRCSA-N 1 1 277.412 3.151 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CCn2c(COCC)cnc2[C@H]1C ZINC001258728149 807574915 /nfs/dbraw/zinc/57/49/15/807574915.db2.gz MIUCYVUSEKNARV-UONOGXRCSA-N 1 1 277.412 3.151 20 30 CGEDMO C[N@@H+](CCC#N)C1CCC(OC(=O)c2ccccc2)CC1 ZINC001169290721 807624745 /nfs/dbraw/zinc/62/47/45/807624745.db2.gz MPDKGMXZQGMYES-UHFFFAOYSA-N 1 1 286.375 3.000 20 30 CGEDMO COc1ccc(Nc2ccc3[nH+]c(C)cn3c2)c(C#N)c1 ZINC001212781929 815136005 /nfs/dbraw/zinc/13/60/05/815136005.db2.gz SDWNBQKZVPHPLM-UHFFFAOYSA-N 1 1 278.315 3.267 20 30 CGEDMO COc1ccccc1C[C@H](C)[N@H+]1CCC[C@@H](C#N)CC1 ZINC001258893399 807666230 /nfs/dbraw/zinc/66/62/30/807666230.db2.gz IQTXBWRDIDCKBL-LSDHHAIUSA-N 1 1 272.392 3.252 20 30 CGEDMO N#CC[C@H]1CCC[N@H+]([C@H]2CCc3c2cccc3F)C1 ZINC001261641094 807772554 /nfs/dbraw/zinc/77/25/54/807772554.db2.gz WFGSDELYFOKQMS-WBMJQRKESA-N 1 1 258.340 3.439 20 30 CGEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+]([C@H]1CC[C@@H](C)C1)C2 ZINC001170137620 807773116 /nfs/dbraw/zinc/77/31/16/807773116.db2.gz OJEQRHUFQCWIIG-XMTFNYHQSA-N 1 1 293.451 3.249 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)c1ccccc1 ZINC001261703410 807778523 /nfs/dbraw/zinc/77/85/23/807778523.db2.gz HJLYHFJZXSLBGW-JQHSSLGASA-N 1 1 298.430 3.041 20 30 CGEDMO Cc1ccccc1[C@H](CO)[N@@H+](C)Cc1ccc(C#N)s1 ZINC001262077379 807818305 /nfs/dbraw/zinc/81/83/05/807818305.db2.gz CHIISDCVWBZSGQ-INIZCTEOSA-N 1 1 286.400 3.094 20 30 CGEDMO CN(C)[C@H]1CC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170377325 807831907 /nfs/dbraw/zinc/83/19/07/807831907.db2.gz ZXYHNNGGKYNBAZ-XBMUEBEBSA-N 1 1 297.446 3.026 20 30 CGEDMO C[NH+](C)[C@H]1CCN(C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170377325 807831917 /nfs/dbraw/zinc/83/19/17/807831917.db2.gz ZXYHNNGGKYNBAZ-XBMUEBEBSA-N 1 1 297.446 3.026 20 30 CGEDMO C[C@@H]1[C@H](CO)CC[N@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170378741 807832105 /nfs/dbraw/zinc/83/21/05/807832105.db2.gz JWAZHTWDIVNGHG-JLJREYHVSA-N 1 1 298.430 3.093 20 30 CGEDMO C[C@H]1C[C@@H](CO)[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170378737 807832260 /nfs/dbraw/zinc/83/22/60/807832260.db2.gz JTYTVQFXRMIXND-BARLLCKDSA-N 1 1 298.430 3.093 20 30 CGEDMO N#C[C@@H]1CC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170389102 807833390 /nfs/dbraw/zinc/83/33/90/807833390.db2.gz KNPSHZJYYPWXOA-ZLPCBKJTSA-N 1 1 279.387 3.236 20 30 CGEDMO C#Cc1cccnc1N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001262690983 807896450 /nfs/dbraw/zinc/89/64/50/807896450.db2.gz QCJUYRGOQKCAKN-HOCLYGCPSA-N 1 1 283.419 3.128 20 30 CGEDMO Nc1ccc(F)c(NC(=[NH2+])c2ccc3cc(O)ccc3c2)c1 ZINC001171181906 808002095 /nfs/dbraw/zinc/00/20/95/808002095.db2.gz FKGUUEKNUMCJKG-UHFFFAOYSA-N 1 1 295.317 3.304 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC12CCCC2 ZINC001263817382 808008320 /nfs/dbraw/zinc/00/83/20/808008320.db2.gz UQEGOURIIMLFJJ-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO CO[C@H]1CCC[C@@H]2C[N@H+]([C@@H](C)Cc3cccc(C#N)c3)C[C@@H]21 ZINC001171218646 808010441 /nfs/dbraw/zinc/01/04/41/808010441.db2.gz VVBCJTRYDAUSNM-VLQPXKRTSA-N 1 1 298.430 3.236 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001171211259 808011587 /nfs/dbraw/zinc/01/15/87/808011587.db2.gz YBOQIZKYFHQSPD-MAZHCROVSA-N 1 1 290.357 3.466 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001171221661 808012194 /nfs/dbraw/zinc/01/21/94/808012194.db2.gz RPKMAOGDZKIGNQ-BXUZGUMPSA-N 1 1 282.309 3.373 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H](C#N)CC1 ZINC001171224705 808012651 /nfs/dbraw/zinc/01/26/51/808012651.db2.gz UJLZNTLWRQDVIR-LSDHHAIUSA-N 1 1 267.376 3.115 20 30 CGEDMO C#CCCCCC(=O)N[C@H]1CC[N@H+](CCCC(C)C)[C@@H]1C ZINC001264138456 808039639 /nfs/dbraw/zinc/03/96/39/808039639.db2.gz YUARMLCVGNBNCM-SJORKVTESA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)CCC)[C@H]1C ZINC001264165972 808043254 /nfs/dbraw/zinc/04/32/54/808043254.db2.gz UKZZWCJEJHSSPC-PMPSAXMXSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)CC2CCCCC2)[C@H]1C ZINC001264170810 808043286 /nfs/dbraw/zinc/04/32/86/808043286.db2.gz NHNJZDZPEUCCHZ-INMHGKMJSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC/C=C/c1ccccc1 ZINC001264372784 808064351 /nfs/dbraw/zinc/06/43/51/808064351.db2.gz MHYQZUQQBGSKQQ-JGZYNSJSSA-N 1 1 298.430 3.199 20 30 CGEDMO Cc1cc[nH+]c(C)c1NCCOc1ccc(C#N)cc1 ZINC001171484334 808074418 /nfs/dbraw/zinc/07/44/18/808074418.db2.gz OKYCSHMBEUYANT-UHFFFAOYSA-N 1 1 267.332 3.061 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CCC ZINC001264737961 808089541 /nfs/dbraw/zinc/08/95/41/808089541.db2.gz OMKBUUXHRBBUNG-HNNXBMFYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@H]1C[N@H+](C)C[C@@H](C)CC ZINC001264739411 808089657 /nfs/dbraw/zinc/08/96/57/808089657.db2.gz YGGXZFRTZYTFBO-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CCCF ZINC001264743235 808091444 /nfs/dbraw/zinc/09/14/44/808091444.db2.gz XTFVUWUWVQRUHQ-HNNXBMFYSA-N 1 1 284.419 3.015 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)CCC)CC(C)(C)C1 ZINC001264749552 808092399 /nfs/dbraw/zinc/09/23/99/808092399.db2.gz FYZFYGDLQNLUPM-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](CCSCc2ccccc2)C1 ZINC001171572093 808100773 /nfs/dbraw/zinc/10/07/73/808100773.db2.gz DRDJURGZBALYNI-OAHLLOKOSA-N 1 1 259.418 3.265 20 30 CGEDMO Cc1cccc2c1CC[C@@H]([N@H+]1CCC[C@H](C#N)C1)C2 ZINC001171571468 808101134 /nfs/dbraw/zinc/10/11/34/808101134.db2.gz YORJLZQPIJYFGF-GDBMZVCRSA-N 1 1 254.377 3.088 20 30 CGEDMO C=C(C)C[N@@H+](C)CCCNC(=O)[C@H](F)CC1CCCCC1 ZINC001265058205 808106351 /nfs/dbraw/zinc/10/63/51/808106351.db2.gz LZTAGDBWTZMUMN-MRXNPFEDSA-N 1 1 298.446 3.309 20 30 CGEDMO C=C(C)C[N@H+](C)CCCNC(=O)C[C@@H]1CCCC[C@@H]1C ZINC001265075292 808107236 /nfs/dbraw/zinc/10/72/36/808107236.db2.gz ZBGNGFIHKZIQLW-HOTGVXAUSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C1CC(C)(C(=O)NCCC[N@H+](CCC(C)C)C2CC2)C1 ZINC001265174582 808115927 /nfs/dbraw/zinc/11/59/27/808115927.db2.gz CGAJPSRKFFUSML-UHFFFAOYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)c2ccoc2C)C1 ZINC001265203925 808118957 /nfs/dbraw/zinc/11/89/57/808118957.db2.gz RPQYTYMAMGPMRJ-ZFWWWQNUSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2sccc2C)C1 ZINC001265201579 808119391 /nfs/dbraw/zinc/11/93/91/808119391.db2.gz SIXHGEBNDCXBLQ-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2C)C1 ZINC001265201584 808119639 /nfs/dbraw/zinc/11/96/39/808119639.db2.gz SIXHGEBNDCXBLQ-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C#CCCCCCC(=O)N[C@H]1CCC[N@H+](CC=C(C)C)C1 ZINC001265223181 808120552 /nfs/dbraw/zinc/12/05/52/808120552.db2.gz RRCXEWLDAAEZBZ-KRWDZBQOSA-N 1 1 290.451 3.117 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001265222364 808120798 /nfs/dbraw/zinc/12/07/98/808120798.db2.gz DEDCGBOWSRSCEX-OAHLLOKOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CCC2CCCC2)C1 ZINC001265268624 808124482 /nfs/dbraw/zinc/12/44/82/808124482.db2.gz TYBHIIIQKOPAJC-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C[C@@H]1C[C@@H](NC2(C#N)CCCCC2)C[N@H+]1Cc1ccccc1 ZINC001171727516 808126518 /nfs/dbraw/zinc/12/65/18/808126518.db2.gz DBJQMZHPIQJXPV-SJLPKXTDSA-N 1 1 297.446 3.465 20 30 CGEDMO C=CCN(CC=C)[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001171761282 808131524 /nfs/dbraw/zinc/13/15/24/808131524.db2.gz CSYLIMHADDLDLE-FUHWJXTLSA-N 1 1 270.420 3.323 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@H+](CCC(=C)C)C2)CCCC1 ZINC001265320940 808131605 /nfs/dbraw/zinc/13/16/05/808131605.db2.gz CJQJHRXNLAUUKW-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]2C[N@@H+](CC(C)C)CC[C@@H]21 ZINC001265523091 808150184 /nfs/dbraw/zinc/15/01/84/808150184.db2.gz GYNNFWUWMRUASF-SJORKVTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[C@@H]([NH2+][C@H]1CCCC12CCCCC2)C(=O)OC ZINC001171932228 808155422 /nfs/dbraw/zinc/15/54/22/808155422.db2.gz WFQFSHVAPJNNBY-KGLIPLIRSA-N 1 1 265.397 3.197 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@H]1CCC[N@H+](CCC(C)C)C1 ZINC001265583903 808156577 /nfs/dbraw/zinc/15/65/77/808156577.db2.gz BFEFGIHPPOSQFV-MRXNPFEDSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001265577724 808156937 /nfs/dbraw/zinc/15/69/37/808156937.db2.gz MZBBYILXPZBXCQ-QGZVFWFLSA-N 1 1 290.451 3.281 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H]1CCC[N@H+](CCC(C)C)C1 ZINC001265584863 808157144 /nfs/dbraw/zinc/15/71/44/808157144.db2.gz WCRFTLSDWDCBHJ-MRXNPFEDSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)/C(C)=C/CC)C1 ZINC001265577240 808157363 /nfs/dbraw/zinc/15/73/63/808157363.db2.gz DUWQBQJGDLLZTJ-LRQZKABGSA-N 1 1 278.440 3.137 20 30 CGEDMO CC1(C#N)CN([C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976842 808163186 /nfs/dbraw/zinc/16/31/86/808163186.db2.gz NPDUWQGZFAPWJJ-KRWDZBQOSA-N 1 1 297.446 3.275 20 30 CGEDMO C#CC1(N[C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171976109 808163872 /nfs/dbraw/zinc/16/38/72/808163872.db2.gz PLRNCWOHDBGASL-QGZVFWFLSA-N 1 1 282.431 3.185 20 30 CGEDMO C#CC1([NH2+][C@@H]2CCN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171976109 808163874 /nfs/dbraw/zinc/16/38/74/808163874.db2.gz PLRNCWOHDBGASL-QGZVFWFLSA-N 1 1 282.431 3.185 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC(CC)CC)C1 ZINC001265708465 808172347 /nfs/dbraw/zinc/17/23/47/808172347.db2.gz OHWXKNVSJRYCTA-NVXWUHKLSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@@H+](C)CCCNC(=O)c1cccc(C(F)F)c1 ZINC001265956293 808196922 /nfs/dbraw/zinc/19/69/22/808196922.db2.gz HTCXRBAPIGCPFB-UHFFFAOYSA-N 1 1 296.361 3.252 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CSc2ccccc2C1 ZINC001172207036 808199291 /nfs/dbraw/zinc/19/92/91/808199291.db2.gz VRDGNQFFCPATRM-DMRZNYOFSA-N 1 1 284.428 3.470 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)/C=C(\C)C2CC2)C1 ZINC001266094781 808211512 /nfs/dbraw/zinc/21/15/12/808211512.db2.gz ZWVAHZUATPPQSV-VOGRQWBCSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCC[C@@H]([N@@H+](C)CC(=C)C)C1 ZINC001266102218 808211645 /nfs/dbraw/zinc/21/16/45/808211645.db2.gz FMHVTVVADYCSIG-QGZVFWFLSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC[C@@H]([N@@H+](C)CCC2CC2)C1 ZINC001266108399 808213718 /nfs/dbraw/zinc/21/37/18/808213718.db2.gz WEKPURYORFBINF-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@@H](N2CCCCC2)C1 ZINC001172306006 808221701 /nfs/dbraw/zinc/22/17/01/808221701.db2.gz HRKYXNSMGVDPFF-VQIMIIECSA-N 1 1 297.446 3.049 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H](N2CCCCC2)C1 ZINC001172306006 808221703 /nfs/dbraw/zinc/22/17/03/808221703.db2.gz HRKYXNSMGVDPFF-VQIMIIECSA-N 1 1 297.446 3.049 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)CCc1ccccn1 ZINC001172309076 808222828 /nfs/dbraw/zinc/22/28/28/808222828.db2.gz QAZKRFZNNPHWTL-HNNXBMFYSA-N 1 1 279.387 3.059 20 30 CGEDMO COC[C@@]12CCC[C@@H]1C[N@H+]([C@H](C)Cc1ccc(C#N)cc1)C2 ZINC001172308206 808223097 /nfs/dbraw/zinc/22/30/97/808223097.db2.gz LPZOTVHYUCXJPA-LZQZEXGQSA-N 1 1 298.430 3.238 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1cncs1 ZINC001172310670 808223454 /nfs/dbraw/zinc/22/34/54/808223454.db2.gz HEEHIPJPQAYIDX-LBPRGKRZSA-N 1 1 271.389 3.078 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](CC1CC1)C1CC1 ZINC001172312577 808223903 /nfs/dbraw/zinc/22/39/03/808223903.db2.gz HFSYCDCGXCKZPS-ZDUSSCGKSA-N 1 1 254.377 3.364 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001172316907 808226560 /nfs/dbraw/zinc/22/65/60/808226560.db2.gz YLEOSTUOGVAYNM-DFBGVHRSSA-N 1 1 276.330 3.076 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)[C@H](C)C(C)(C)C ZINC001266288750 808237218 /nfs/dbraw/zinc/23/72/18/808237218.db2.gz OHYJTCLIBPJVBJ-KBPBESRZSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C)o2)C1 ZINC001266299720 808238707 /nfs/dbraw/zinc/23/87/07/808238707.db2.gz XBDGEAYDAKAPTR-HNNXBMFYSA-N 1 1 290.407 3.139 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC001266307552 808239972 /nfs/dbraw/zinc/23/99/72/808239972.db2.gz GHCSHDXSPLDGOS-SFHVURJKSA-N 1 1 298.430 3.221 20 30 CGEDMO C=C1CC(C)(C(=O)NCC[N@H+](C)C/C=C/c2ccccc2)C1 ZINC001266323601 808241028 /nfs/dbraw/zinc/24/10/28/808241028.db2.gz HWHYFRDTAPDFEV-JXMROGBWSA-N 1 1 298.430 3.104 20 30 CGEDMO C=CCC[N@@H+](C)CCNC(=O)c1cccc2ccccc21 ZINC001266354587 808248142 /nfs/dbraw/zinc/24/81/42/808248142.db2.gz FLVUBEGNIWYDNE-UHFFFAOYSA-N 1 1 282.387 3.078 20 30 CGEDMO C=CCC[N@H+](C)CCNC(=O)c1sccc1C(C)C ZINC001266362549 808250458 /nfs/dbraw/zinc/25/04/58/808250458.db2.gz LIADDCVYXRCHHP-UHFFFAOYSA-N 1 1 280.437 3.109 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CC[C@H]1C(=O)OC ZINC001172355861 808251461 /nfs/dbraw/zinc/25/14/61/808251461.db2.gz DSJGTBHJLYSBPD-KGLIPLIRSA-N 1 1 255.402 3.373 20 30 CGEDMO CCCCCCC[C@H](CC)[N@@H+]1CCn2ncnc2C1 ZINC001172358527 808253939 /nfs/dbraw/zinc/25/39/39/808253939.db2.gz PWOBXBKCYUFTTI-AWEZNQCLSA-N 1 1 264.417 3.233 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CCn2ncnc2C1 ZINC001172358527 808253946 /nfs/dbraw/zinc/25/39/46/808253946.db2.gz PWOBXBKCYUFTTI-AWEZNQCLSA-N 1 1 264.417 3.233 20 30 CGEDMO C=CC(C)(C)CC(=O)NCC[N@H+](CC)Cc1ccccc1 ZINC001266392676 808255772 /nfs/dbraw/zinc/25/57/72/808255772.db2.gz MTTQMENQSMKKDZ-UHFFFAOYSA-N 1 1 288.435 3.227 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)C1(CC)CCCCC1 ZINC001266437701 808264603 /nfs/dbraw/zinc/26/46/03/808264603.db2.gz JRXFZFBNJRMQDJ-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C#CCCCCC(=O)NC[C@H]1CCC[N@@H+]1CCC(C)(C)C ZINC001266457650 808269389 /nfs/dbraw/zinc/26/93/89/808269389.db2.gz LQDTXKLCUOHCBD-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](CC)CCC)C1 ZINC001266469290 808270367 /nfs/dbraw/zinc/27/03/67/808270367.db2.gz IYIYHWVVFLCBCS-DLBZAZTESA-N 1 1 292.467 3.006 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[C@H](C[N@H+](C)CCC)C1 ZINC001266466211 808270697 /nfs/dbraw/zinc/27/06/97/808270697.db2.gz KUTQFKISNCBYSJ-HZPDHXFCSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)C(CCC)CCC ZINC001266476728 808272564 /nfs/dbraw/zinc/27/25/64/808272564.db2.gz BODDBIYDCNWQDT-INIZCTEOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)c1ccsc1 ZINC001266482663 808273529 /nfs/dbraw/zinc/27/35/29/808273529.db2.gz GHAYQAARQBPIDF-DZGCQCFKSA-N 1 1 292.448 3.008 20 30 CGEDMO C=CCCCC(=O)NC[C@H]1CCC[N@H+]1CC1CCCC1 ZINC001266480071 808274675 /nfs/dbraw/zinc/27/46/75/808274675.db2.gz JLMDRCDFZUCZSH-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C[C@@H](CCCC#N)N1CCC([NH+]2CCCCC2)CC1 ZINC001172491394 808352133 /nfs/dbraw/zinc/35/21/33/808352133.db2.gz NRQWZGISIADUKF-HNNXBMFYSA-N 1 1 263.429 3.019 20 30 CGEDMO CCOC(=O)C[N@H+](Cc1ccccc1)[C@H](C)CCCC#N ZINC001172491721 808352583 /nfs/dbraw/zinc/35/25/83/808352583.db2.gz GWBRDPQSCVVDMI-OAHLLOKOSA-N 1 1 288.391 3.134 20 30 CGEDMO CCOC(=O)C[N@@H+](Cc1ccccc1)[C@H](C)CCCC#N ZINC001172491721 808352592 /nfs/dbraw/zinc/35/25/92/808352592.db2.gz GWBRDPQSCVVDMI-OAHLLOKOSA-N 1 1 288.391 3.134 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001172494049 808354119 /nfs/dbraw/zinc/35/41/19/808354119.db2.gz QFEAWUFCDZOYRM-KGLIPLIRSA-N 1 1 295.427 3.010 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC001172498685 808354663 /nfs/dbraw/zinc/35/46/63/808354663.db2.gz PYOOBYGLXJWLAE-WBVHZDCISA-N 1 1 272.392 3.012 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC001172499655 808356103 /nfs/dbraw/zinc/35/61/03/808356103.db2.gz FRLMXGHEEKHYGM-SZMVWBNQSA-N 1 1 283.419 3.027 20 30 CGEDMO C[C@@H](CCCC#N)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC001172499655 808356113 /nfs/dbraw/zinc/35/61/13/808356113.db2.gz FRLMXGHEEKHYGM-SZMVWBNQSA-N 1 1 283.419 3.027 20 30 CGEDMO C[C@@H](CCCC#N)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC001172499655 808356121 /nfs/dbraw/zinc/35/61/21/808356121.db2.gz FRLMXGHEEKHYGM-SZMVWBNQSA-N 1 1 283.419 3.027 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC[C@@H]([N@@H+](C)CC=C(C)C)C1 ZINC001267111204 808358907 /nfs/dbraw/zinc/35/89/07/808358907.db2.gz NAUXSGDDHWUQDB-DLBZAZTESA-N 1 1 292.467 3.478 20 30 CGEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)CCCCCCCC)C1 ZINC001267113943 808362055 /nfs/dbraw/zinc/36/20/55/808362055.db2.gz VJAZAMGQGRKCSD-QGZVFWFLSA-N 1 1 292.467 3.293 20 30 CGEDMO CCCCCCC[C@H](CCC)[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC001172508908 808366519 /nfs/dbraw/zinc/36/65/19/808366519.db2.gz QMCCSQNWBZWLER-ULQDDVLXSA-N 1 1 285.472 3.191 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)[C@H]1CCCC[C@@H]1C1CC1 ZINC001267209780 808380696 /nfs/dbraw/zinc/38/06/96/808380696.db2.gz LJOSXNANHMWGBW-SJORKVTESA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1C ZINC001267261729 808399824 /nfs/dbraw/zinc/39/98/24/808399824.db2.gz XYUPTIRDXODWNW-KRWDZBQOSA-N 1 1 286.419 3.042 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C1(C)CCC1 ZINC001267271935 808400919 /nfs/dbraw/zinc/40/09/19/808400919.db2.gz FXNRJOGGENODRR-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1CCC[N@H+]1CCCCCF ZINC001267272173 808403058 /nfs/dbraw/zinc/40/30/58/808403058.db2.gz JSYKSPVADBFCTF-OAHLLOKOSA-N 1 1 298.446 3.309 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@](C)(CC)CCCCC ZINC001267283675 808405240 /nfs/dbraw/zinc/40/52/40/808405240.db2.gz PQWVKKAIOOBFMB-WMZOPIPTSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)CCCC)C1 ZINC001267291930 808406804 /nfs/dbraw/zinc/40/68/04/808406804.db2.gz ORVLAKOUTWVMCO-JKSUJKDBSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](CC)CCC)C1 ZINC001267304591 808408393 /nfs/dbraw/zinc/40/83/93/808408393.db2.gz KJUPIOHZDPJGBG-JKSUJKDBSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](CCC)C(C)C)C1 ZINC001267302710 808408758 /nfs/dbraw/zinc/40/87/58/808408758.db2.gz HBOMKFWHLOMNMN-DLBZAZTESA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)[C@@H]1CCCC1(C)C ZINC001267316165 808411913 /nfs/dbraw/zinc/41/19/13/808411913.db2.gz HRPPWSQLGJXVIR-HNNXBMFYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1CC(C)(C)C)C1CC1 ZINC001267324960 808415624 /nfs/dbraw/zinc/41/56/24/808415624.db2.gz ACLROIDVAGXWBZ-GOEBONIOSA-N 1 1 292.467 3.215 20 30 CGEDMO N#C[C@@H]1CCC[N@H+]([C@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172721416 808418950 /nfs/dbraw/zinc/41/89/50/808418950.db2.gz DXADOFDAVGACDR-WBMJQRKESA-N 1 1 274.795 3.433 20 30 CGEDMO C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCC1 ZINC001267397668 808423850 /nfs/dbraw/zinc/42/38/50/808423850.db2.gz XOBMXCDBVRJJRV-CALCHBBNSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC(C)(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C/Cl ZINC001267530740 808441377 /nfs/dbraw/zinc/44/13/77/808441377.db2.gz YWYSTDGDZLMHLU-CSEUZHBESA-N 1 1 296.842 3.016 20 30 CGEDMO C=CC(C)(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C/Cl ZINC001267530740 808441380 /nfs/dbraw/zinc/44/13/80/808441380.db2.gz YWYSTDGDZLMHLU-CSEUZHBESA-N 1 1 296.842 3.016 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)c2occc2C)C1 ZINC001267539705 808442318 /nfs/dbraw/zinc/44/23/18/808442318.db2.gz POEMMWCCOQSMML-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C[C@H](CC)CC(=O)NCC[C@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC001267563419 808448181 /nfs/dbraw/zinc/44/81/81/808448181.db2.gz YQZATWICXAXAFD-ZRJDUIELSA-N 1 1 298.858 3.169 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](CCNC(=O)c2cc3ccccc3o2)C1 ZINC001267568648 808450311 /nfs/dbraw/zinc/45/03/11/808450311.db2.gz YXHKPOYCXNNQPU-CQSZACIVSA-N 1 1 298.386 3.061 20 30 CGEDMO C#CCCCC(=O)N1CC[C@@H](C[N@@H+](C)CCC(C)(C)C)C1 ZINC001267581752 808451778 /nfs/dbraw/zinc/45/17/78/808451778.db2.gz SGRLWSDDNUKSRL-INIZCTEOSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)C2CC=CC2)C1 ZINC001267580214 808452122 /nfs/dbraw/zinc/45/21/22/808452122.db2.gz SGXKAPCZUNVUIJ-JKSUJKDBSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C2(CC)CCCC2)C1 ZINC001267619634 808458151 /nfs/dbraw/zinc/45/81/51/808458151.db2.gz WINUXUPRTNJMRA-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)CCC2CCC2)C1 ZINC001267638138 808462974 /nfs/dbraw/zinc/46/29/74/808462974.db2.gz JTKRNGDDOCRWRN-KRWDZBQOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[C@@H](C[N@@H+](C)CCC2CC2)C1 ZINC001267671173 808468903 /nfs/dbraw/zinc/46/89/03/808468903.db2.gz RLIJQJAHMJULLB-WBVHZDCISA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(CC=C)CC=C ZINC001267705783 808473989 /nfs/dbraw/zinc/47/39/89/808473989.db2.gz NQSUEQNNXQQGIB-IRXDYDNUSA-N 1 1 288.435 3.006 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001267728514 808479296 /nfs/dbraw/zinc/47/92/96/808479296.db2.gz CKWNUWGIZCLXCL-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO CC#CC[N@@H+](C)CC1CCN(C(=O)CCCC(C)C)CC1 ZINC001267745726 808483364 /nfs/dbraw/zinc/48/33/64/808483364.db2.gz DAIDSKNTODRJNO-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCCCC(=O)N(C)[C@H]1CC[N@H+](CCCC(C)C)C1 ZINC001267772099 808489038 /nfs/dbraw/zinc/48/90/38/808489038.db2.gz SLXHDWFULSQGAQ-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccsc2)C1 ZINC001267780641 808490151 /nfs/dbraw/zinc/49/01/51/808490151.db2.gz RZGJCSPROSYMCE-OAHLLOKOSA-N 1 1 292.448 3.251 20 30 CGEDMO C=CCC[N@H+](C)CCC1CCN(C(=O)[C@H](C)C2CC2)CC1 ZINC001268201010 808555576 /nfs/dbraw/zinc/55/55/76/808555576.db2.gz UBLZWXOKOBSVBI-OAHLLOKOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CCC[N@H+](CCCC(C)C)C1 ZINC001268216751 808559734 /nfs/dbraw/zinc/55/97/34/808559734.db2.gz PHZBZCZYBLQWPX-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC(=O)N(C)CC[N@@H+](C)Cc1cc(C)ccc1C ZINC001268232982 808564611 /nfs/dbraw/zinc/56/46/11/808564611.db2.gz OWNKVFOCBATRHQ-UHFFFAOYSA-N 1 1 288.435 3.160 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001268243890 808566657 /nfs/dbraw/zinc/56/66/57/808566657.db2.gz QRKWYWSHONYFTQ-BJWYYQGGSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)C1(C)CC=CC1 ZINC001268246737 808567139 /nfs/dbraw/zinc/56/71/39/808567139.db2.gz CQAICHIKRYYRIS-HNNXBMFYSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)C[C@@H]1CCCC[C@H]1C ZINC001268258345 808571407 /nfs/dbraw/zinc/57/14/07/808571407.db2.gz AYQYXYYBEJIDTO-CVEARBPZSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)C1CC(C(C)(C)C)C1 ZINC001268259867 808571725 /nfs/dbraw/zinc/57/17/25/808571725.db2.gz PPPCEHODMSFILH-UHFFFAOYSA-N 1 1 280.456 3.025 20 30 CGEDMO CC[C@H]1CC[C@@H]([N@H+]2CCc3cc(C#N)ccc3C2)C1 ZINC001173275032 808578705 /nfs/dbraw/zinc/57/87/05/808578705.db2.gz SMZZGMPZFRRESM-SUMWQHHRSA-N 1 1 254.377 3.495 20 30 CGEDMO C=CCOC1CCC([NH2+][C@@H](CC(C)C)C(=O)OCC)CC1 ZINC001173312905 808607174 /nfs/dbraw/zinc/60/71/74/808607174.db2.gz MXRAMZIYSZMJKW-GPANFISMSA-N 1 1 297.439 3.068 20 30 CGEDMO C=CCOC1CCC([NH2+][C@H](CC(C)C)C(=O)OCC)CC1 ZINC001173312908 808607603 /nfs/dbraw/zinc/60/76/03/808607603.db2.gz MXRAMZIYSZMJKW-UYSNPLJNSA-N 1 1 297.439 3.068 20 30 CGEDMO C=CCOC1CCC([N@H+]2CC[C@@H]3OCCC[C@@H]3C2)CC1 ZINC001173319274 808610451 /nfs/dbraw/zinc/61/04/51/808610451.db2.gz CEXHCKYYYUKTJT-VXLLPVPCSA-N 1 1 279.424 3.001 20 30 CGEDMO C=CCOC(=O)[C@@H]([NH2+]C1CCC(CC#N)CC1)[C@@H](C)CC ZINC001173327398 808613922 /nfs/dbraw/zinc/61/39/22/808613922.db2.gz AGCBZSRSHREFGR-LBDPXKHJSA-N 1 1 292.423 3.192 20 30 CGEDMO N#CCC1CCC([N@H+]2CCc3cc(C#N)ccc3C2)CC1 ZINC001173331677 808616437 /nfs/dbraw/zinc/61/64/37/808616437.db2.gz SEQFEICWLMUNOS-UHFFFAOYSA-N 1 1 279.387 3.389 20 30 CGEDMO Cc1ccc2c(n1)N(C)CC[N@H+](C1CCC(CC#N)CC1)C2 ZINC001173334126 808617595 /nfs/dbraw/zinc/61/75/95/808617595.db2.gz VAQPLMUQOOIXGI-UHFFFAOYSA-N 1 1 298.434 3.114 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)C(C)(C)CCC ZINC001268742391 808619810 /nfs/dbraw/zinc/61/98/10/808619810.db2.gz HIZKMPDVHQUFNI-AWEZNQCLSA-N 1 1 268.445 3.215 20 30 CGEDMO Cc1cccc(O[C@H]2CC[N@H+](C3CCC(CC#N)CC3)C2)n1 ZINC001173339397 808620119 /nfs/dbraw/zinc/62/01/19/808620119.db2.gz GMRSIAJKVQJURT-JCYILVPMSA-N 1 1 299.418 3.316 20 30 CGEDMO Cc1ccc(O[C@@H]2CC[N@H+](C3CCC(CC#N)CC3)C2)nc1 ZINC001173339456 808620286 /nfs/dbraw/zinc/62/02/86/808620286.db2.gz ICKJRVZXVSAOGH-OFLPRAFFSA-N 1 1 299.418 3.316 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H](NC(=O)C=C2CCCCC2)C1 ZINC001269005102 808641693 /nfs/dbraw/zinc/64/16/93/808641693.db2.gz FKGIEVMUQLHVFE-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)c2ccsc2C)C1 ZINC001269023137 808642563 /nfs/dbraw/zinc/64/25/63/808642563.db2.gz NTBSQELAOAXUIU-JSGCOSHPSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001269083317 808647369 /nfs/dbraw/zinc/64/73/69/808647369.db2.gz HVKXBDGOKDLCPB-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO CC(C)(C)OC(=O)C(C)(C)[NH2+]C1CCC(C)(C#N)CC1 ZINC001173588323 808647450 /nfs/dbraw/zinc/64/74/50/808647450.db2.gz BDXFKVBYIPQSBV-UHFFFAOYSA-N 1 1 280.412 3.169 20 30 CGEDMO CCOC(=O)C1([NH2+]C2CCC(C)(C#N)CC2)CCCCC1 ZINC001173590471 808647776 /nfs/dbraw/zinc/64/77/76/808647776.db2.gz JXEOKPMBPOUGEK-UHFFFAOYSA-N 1 1 292.423 3.314 20 30 CGEDMO COCC[C@H]1CCCC[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173596256 808649611 /nfs/dbraw/zinc/64/96/11/808649611.db2.gz PKLJAHXDRAGMDC-QQFBHYJXSA-N 1 1 264.413 3.350 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CCc3cc(O)ccc3C2)CC1 ZINC001173594049 808649718 /nfs/dbraw/zinc/64/97/18/808649718.db2.gz PXPSGCCEWZZFRI-UHFFFAOYSA-N 1 1 270.376 3.223 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C)c2C)C1 ZINC001269192403 808653092 /nfs/dbraw/zinc/65/30/92/808653092.db2.gz XMEJTCGCTAOAEG-MRXNPFEDSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)CCC2CCCC2)C1 ZINC001269209255 808656397 /nfs/dbraw/zinc/65/63/97/808656397.db2.gz VVXHRAJCAQFJKQ-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)c2ccoc2)C1 ZINC001269307828 808667823 /nfs/dbraw/zinc/66/78/23/808667823.db2.gz XUKQSNATIBUQPB-GOEBONIOSA-N 1 1 290.407 3.171 20 30 CGEDMO C=C(C)CCC(=O)N(CC)[C@@H]1CC[N@H+](C/C=C/Cl)C1 ZINC001269332784 808671774 /nfs/dbraw/zinc/67/17/74/808671774.db2.gz STYFQNBDRRZGCM-VZUFXWRPSA-N 1 1 284.831 3.018 20 30 CGEDMO C=C(C)CCC(=O)N(CC)[C@@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC001269332784 808671781 /nfs/dbraw/zinc/67/17/81/808671781.db2.gz STYFQNBDRRZGCM-VZUFXWRPSA-N 1 1 284.831 3.018 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)/C=C/C(C)(C)C)C2)C1 ZINC001269686083 808697971 /nfs/dbraw/zinc/69/79/71/808697971.db2.gz MEALZWAQOZHXSR-PDFOZTTASA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@](C)(CNC(=O)CC2CC2)C1 ZINC001270932822 808754117 /nfs/dbraw/zinc/75/41/17/808754117.db2.gz PHZXPRJUBFUBET-MAUKXSAKSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC2(C)C)C1 ZINC001270983553 808758075 /nfs/dbraw/zinc/75/80/75/808758075.db2.gz QQDXRIYCPRPGHU-CRAIPNDOSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC2(C)C)C1 ZINC001270983554 808758185 /nfs/dbraw/zinc/75/81/85/808758185.db2.gz QQDXRIYCPRPGHU-MAUKXSAKSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCC(=O)N(C)CC[N@@H+](C)C/C=C\c1ccccc1 ZINC001271977697 808790683 /nfs/dbraw/zinc/79/06/83/808790683.db2.gz STIRZTNBLDDKII-XFXZXTDPSA-N 1 1 286.419 3.056 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)CCN(C)C(=O)/C(C)=C\CC ZINC001271969346 808790985 /nfs/dbraw/zinc/79/09/85/808790985.db2.gz HKBSKFVQIQVJOY-BAAYTWLHSA-N 1 1 266.429 3.088 20 30 CGEDMO C=CC[N@H+](C)CCN(C)C(=O)C[C@@H](CC)c1ccccc1 ZINC001272151854 808798964 /nfs/dbraw/zinc/79/89/64/808798964.db2.gz FXBWZBNMKMXIPU-MRXNPFEDSA-N 1 1 288.435 3.147 20 30 CGEDMO C=CC[N@H+](C)CCN(C)C(=O)[C@H](C)CC1CCCCC1 ZINC001272158797 808799073 /nfs/dbraw/zinc/79/90/73/808799073.db2.gz VUVIZAMBTIGBQS-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C#CC[N@H+](C)CCN(C)C(=O)[C@H](CC)CC1CCCCC1 ZINC001272126142 808799314 /nfs/dbraw/zinc/79/93/14/808799314.db2.gz TWXZOCJBRYICPC-QGZVFWFLSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCN1CC[C@@]2(CC[N@H+](CCCCCCC)C2)C1=O ZINC001272477413 808811894 /nfs/dbraw/zinc/81/18/94/808811894.db2.gz ZPZWGOQQRUCPAL-QGZVFWFLSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@]12CC(=O)N([C@H](C)CC)C2 ZINC001273486904 808847951 /nfs/dbraw/zinc/84/79/51/808847951.db2.gz RJFPVGAKCVNDRN-NVXWUHKLSA-N 1 1 278.440 3.208 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1C(C)C ZINC001273577639 808854506 /nfs/dbraw/zinc/85/45/06/808854506.db2.gz DBPVKDICJCQSPF-JKSUJKDBSA-N 1 1 280.456 3.025 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)C2(C)CCC2)C[C@H]1C ZINC001274632813 808879995 /nfs/dbraw/zinc/87/99/95/808879995.db2.gz BJNYUQKZMSCQNI-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@H+](CC)CC1CCN(C(=O)C(C)=C2CCC2)CC1 ZINC001274949957 808893492 /nfs/dbraw/zinc/89/34/92/808893492.db2.gz FPQRVJKZLGJHJN-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO C#CC[N@H+](CC)CC1CCN(C(=O)CCCC(C)C)CC1 ZINC001274956123 808894420 /nfs/dbraw/zinc/89/44/20/808894420.db2.gz YPDAVRNESJGKAS-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]1C[N@H+](C)CCCC ZINC001275115201 808910949 /nfs/dbraw/zinc/91/09/49/808910949.db2.gz MSNHAENAHITMBV-HNNXBMFYSA-N 1 1 266.429 3.066 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H]2COC[C@H](C1)N2C1CCCC1 ZINC001275131356 808914463 /nfs/dbraw/zinc/91/44/63/808914463.db2.gz PROMJWYGQPTNFJ-HDICACEKSA-N 1 1 294.483 3.284 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)/C=C(\C)CC)C2)C1 ZINC001275184607 808920100 /nfs/dbraw/zinc/92/01/00/808920100.db2.gz QTUTVQMHWOSGAJ-ODQHEUEKSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccoc1C1CC1 ZINC001275631181 808953664 /nfs/dbraw/zinc/95/36/64/808953664.db2.gz YRNRMGMIOUYGQC-CYBMUJFWSA-N 1 1 290.407 3.173 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc(C)c(Cl)c1 ZINC001275636877 808954614 /nfs/dbraw/zinc/95/46/14/808954614.db2.gz HKLBFBGXIWCORN-CYBMUJFWSA-N 1 1 294.826 3.275 20 30 CGEDMO C=CCC1(C(=O)NC[C@H](C)[N@@H+](C)CC2CCCC2)CCC1 ZINC001275920043 808977111 /nfs/dbraw/zinc/97/71/11/808977111.db2.gz HLBNODVICXIBKG-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)CC1CCCCC1 ZINC001275945990 808979212 /nfs/dbraw/zinc/97/92/12/808979212.db2.gz QCXWZZKCKUEYOV-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]1CNC(=O)C1CC(C)C1 ZINC001276821698 809035198 /nfs/dbraw/zinc/03/51/98/809035198.db2.gz ILYJBWXYETXIIV-UYSNPLJNSA-N 1 1 280.456 3.193 20 30 CGEDMO Cc1cc(C#N)ccc1CN1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001276857113 809038496 /nfs/dbraw/zinc/03/84/96/809038496.db2.gz VZUDZRRKRISAFA-LJQANCHMSA-N 1 1 297.446 3.175 20 30 CGEDMO Cc1cc(C#N)ccc1C[NH+]1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001276857113 809038502 /nfs/dbraw/zinc/03/85/02/809038502.db2.gz VZUDZRRKRISAFA-LJQANCHMSA-N 1 1 297.446 3.175 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@]2(CCCN(C)C2)C1 ZINC001276857113 809038530 /nfs/dbraw/zinc/03/85/30/809038530.db2.gz VZUDZRRKRISAFA-LJQANCHMSA-N 1 1 297.446 3.175 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@]2(CCCN(C)C2)C1 ZINC001276857113 809038537 /nfs/dbraw/zinc/03/85/37/809038537.db2.gz VZUDZRRKRISAFA-LJQANCHMSA-N 1 1 297.446 3.175 20 30 CGEDMO C=CCCC[N@@H+]1CCCC2(CN(C(=O)CCC(=C)C)C2)C1 ZINC001276862204 809039810 /nfs/dbraw/zinc/03/98/10/809039810.db2.gz KTFNIZAOJYDRCI-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)CCCC)C[C@@]2(C)C1 ZINC001276902564 809042616 /nfs/dbraw/zinc/04/26/16/809042616.db2.gz YQAHUYAWNNXECU-NXHRZFHOSA-N 1 1 292.467 3.169 20 30 CGEDMO N#Cc1cc(N2CC[C@H]3[C@@H]2CC[N@H+]3C2CCCC2)ccc1F ZINC001277035109 809055734 /nfs/dbraw/zinc/05/57/34/809055734.db2.gz HTTSGMJBXRRWAS-ROUUACIJSA-N 1 1 299.393 3.293 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@]2(CCC[C@@H]2C(=O)N(C)C)C1 ZINC001277153168 809060746 /nfs/dbraw/zinc/06/07/46/809060746.db2.gz XLWPSXWPPTWXBN-AEFFLSMTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCC([N@@H+](C)CC(=C)C)CC1 ZINC001277404804 809072808 /nfs/dbraw/zinc/07/28/08/809072808.db2.gz ZDQDPWMQLKLGQW-UHFFFAOYSA-N 1 1 290.451 3.254 20 30 CGEDMO CC#CCCCC(=O)N[C@@]1(C)CC[N@H+](CCCCCC)C1 ZINC001278419561 809131149 /nfs/dbraw/zinc/13/11/49/809131149.db2.gz BGJXBYUIUWCAFG-SFHVURJKSA-N 1 1 292.467 3.341 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)CC(CC)CC)C1 ZINC001278432317 809134140 /nfs/dbraw/zinc/13/41/40/809134140.db2.gz CSMVNDUZCKWCPR-OAHLLOKOSA-N 1 1 286.847 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)CC(CC)CC)C1 ZINC001278432317 809134147 /nfs/dbraw/zinc/13/41/47/809134147.db2.gz CSMVNDUZCKWCPR-OAHLLOKOSA-N 1 1 286.847 3.146 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)CCC3CCC3)CCC[C@H]12 ZINC001278447914 809135211 /nfs/dbraw/zinc/13/52/11/809135211.db2.gz WFBLPIRIWQTPJX-WMZOPIPTSA-N 1 1 290.451 3.256 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)CC3(C)CC3)CCC[C@H]12 ZINC001278451418 809135425 /nfs/dbraw/zinc/13/54/25/809135425.db2.gz HYIYOWKOMHSFIP-XJKSGUPXSA-N 1 1 296.842 3.042 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)CC3(C)CC3)CCC[C@H]12 ZINC001278451418 809135430 /nfs/dbraw/zinc/13/54/30/809135430.db2.gz HYIYOWKOMHSFIP-XJKSGUPXSA-N 1 1 296.842 3.042 20 30 CGEDMO C#CCCCCC(=O)N[C@H]1CCC[N@H+](CCC(C)C)[C@@H]1C ZINC001278503896 809139414 /nfs/dbraw/zinc/13/94/14/809139414.db2.gz AKJJDVUFWDYRIB-SJORKVTESA-N 1 1 292.467 3.195 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+](CCCCC)C[C@@H]2C1 ZINC001279396291 809172252 /nfs/dbraw/zinc/17/22/52/809172252.db2.gz SEBGYCIUIPOEQA-SOLBZPMBSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)CCC2CCC2)CC1 ZINC001279528037 809173034 /nfs/dbraw/zinc/17/30/34/809173034.db2.gz NZLAFNPKTSVUDS-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC12CCCC2 ZINC001280873772 809202770 /nfs/dbraw/zinc/20/27/70/809202770.db2.gz OUWUCQFCRPUODY-AWEZNQCLSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CC12CCCC2 ZINC001280873772 809202774 /nfs/dbraw/zinc/20/27/74/809202774.db2.gz OUWUCQFCRPUODY-AWEZNQCLSA-N 1 1 298.858 3.100 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H](C=C)CC)C2 ZINC001281086474 809205911 /nfs/dbraw/zinc/20/59/11/809205911.db2.gz DALKNZKHXDIYFI-SJLPKXTDSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[N@H+](CC(=C)C)CC1(C)C ZINC001281555120 809214894 /nfs/dbraw/zinc/21/48/94/809214894.db2.gz FHOQAVQGDVIYKY-HNNXBMFYSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1C ZINC001281953576 809224999 /nfs/dbraw/zinc/22/49/99/809224999.db2.gz YSXDYDLWNZMHSZ-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)C1(C)CCCC1 ZINC001282432993 809246377 /nfs/dbraw/zinc/24/63/77/809246377.db2.gz KWKZUWFTPBCJSP-HUUCEWRRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H](C)[N@H+](C)CCCC(C)C ZINC001282441960 809246619 /nfs/dbraw/zinc/24/66/19/809246619.db2.gz ASUAIJPTURFHMI-AWEZNQCLSA-N 1 1 268.445 3.071 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)C1(C)C(C)(C)C1(C)C ZINC001282503496 809252974 /nfs/dbraw/zinc/25/29/74/809252974.db2.gz BQTJLPUBZQCYHH-ZDUSSCGKSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)CCCF ZINC001282666889 809258263 /nfs/dbraw/zinc/25/82/63/809258263.db2.gz UEDGFFNVMCPWGW-HNNXBMFYSA-N 1 1 284.419 3.063 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1C[N@H+](CCC(=C)C)CC1(C)C ZINC001282820035 809263893 /nfs/dbraw/zinc/26/38/93/809263893.db2.gz AODTXAXHMBJZMH-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC(=O)N[C@H]1C[N@H+](CC/C=C\CC)CC1(C)C ZINC001282790593 809264061 /nfs/dbraw/zinc/26/40/61/809264061.db2.gz HSZCCEFRKYUKFY-VIHMKRCTSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H](C)CCC)CCC[C@@H]12 ZINC001284044151 809293718 /nfs/dbraw/zinc/29/37/18/809293718.db2.gz IQZNJXGUZNXONY-ZMSDIMECSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)/C=C/C(C)(C)C)CCC[C@@H]12 ZINC001284046642 809293759 /nfs/dbraw/zinc/29/37/59/809293759.db2.gz UURXIMLRKNFTGL-CLXRJOFESA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001297373012 809516118 /nfs/dbraw/zinc/51/61/18/809516118.db2.gz KMUFTAOLNPKVPS-YJBOKZPZSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)/C=C(\C)c1cccs1 ZINC001297373581 809516229 /nfs/dbraw/zinc/51/62/29/809516229.db2.gz YNHYTLGTJAHGQL-BUHFOSPRSA-N 1 1 292.448 3.118 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC001176068900 809614223 /nfs/dbraw/zinc/61/42/23/809614223.db2.gz DHCJFTDQTWIPER-OAHLLOKOSA-N 1 1 299.414 3.487 20 30 CGEDMO C=CCC[C@@H]1CCC[N@H+]1C[C@H]1CCC[C@@]2(CCOC2)O1 ZINC001176771251 809759798 /nfs/dbraw/zinc/75/97/98/809759798.db2.gz JDQKUQMAVKTROE-ZACQAIPSSA-N 1 1 279.424 3.145 20 30 CGEDMO C=C(C)CC[N@@H+]1CCO[C@H](c2ccc(OC)c(OC)c2)C1 ZINC001176946195 809772007 /nfs/dbraw/zinc/77/20/07/809772007.db2.gz OKMVDVNFENBBDI-KRWDZBQOSA-N 1 1 291.391 3.043 20 30 CGEDMO C=C(C)CC[N@H+]1CCO[C@H](c2ccc(OC)c(OC)c2)C1 ZINC001176946195 809772011 /nfs/dbraw/zinc/77/20/11/809772011.db2.gz OKMVDVNFENBBDI-KRWDZBQOSA-N 1 1 291.391 3.043 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)Cc1cccc2c1OCC2 ZINC001181638465 810061905 /nfs/dbraw/zinc/06/19/05/810061905.db2.gz SYNHMNNNFGMCJR-UHFFFAOYSA-N 1 1 277.367 3.257 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1cccc2c1OCC2 ZINC001181638465 810061908 /nfs/dbraw/zinc/06/19/08/810061908.db2.gz SYNHMNNNFGMCJR-UHFFFAOYSA-N 1 1 277.367 3.257 20 30 CGEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC001181872007 810077387 /nfs/dbraw/zinc/07/73/87/810077387.db2.gz ZLLGCEPOTXEJHZ-PKOBYXMFSA-N 1 1 295.430 3.245 20 30 CGEDMO C=CC[N@@H+](CCC#N)CC1C2CC3CC(C2)CC1C3 ZINC001182008533 810089261 /nfs/dbraw/zinc/08/92/61/810089261.db2.gz UUGSCMZLRDALRH-UHFFFAOYSA-N 1 1 258.409 3.460 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCCC3)C1 ZINC001182604984 810117130 /nfs/dbraw/zinc/11/71/30/810117130.db2.gz PCDJUENEXWJBFP-HNNXBMFYSA-N 1 1 253.389 3.411 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2ccc3scnc3c2)C1 ZINC001183065158 810136263 /nfs/dbraw/zinc/13/62/63/810136263.db2.gz HLTOUWIJRZKFGD-GFCCVEGCSA-N 1 1 256.374 3.142 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)CC2CCCCC2)C1 ZINC001188766019 810511276 /nfs/dbraw/zinc/51/12/76/810511276.db2.gz UNBFACLLWYZKIE-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)C(C)C)C1 ZINC001188916040 810523062 /nfs/dbraw/zinc/52/30/62/810523062.db2.gz SSIAZKQRTRADIA-HNNXBMFYSA-N 1 1 268.445 3.146 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CCSCC)C1 ZINC001189092504 810543355 /nfs/dbraw/zinc/54/33/55/810543355.db2.gz FVXHJYLMMLDCHH-LSDHHAIUSA-N 1 1 298.496 3.017 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C[C@H](C)CCC)C1 ZINC001189288795 810555261 /nfs/dbraw/zinc/55/52/61/810555261.db2.gz KKRQFTIKALEVJL-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@H](C)CC)[C@@H]2C1 ZINC001189522898 810574536 /nfs/dbraw/zinc/57/45/36/810574536.db2.gz QPNPVWMNJJXHHE-IXDOHACOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)/C=C/C2CC2)C1 ZINC001189536724 810574762 /nfs/dbraw/zinc/57/47/62/810574762.db2.gz JOTJWKNPIUMNKP-SXSDINLZSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](F)CCCCCC)[C@@H]2C1 ZINC001189794067 810589176 /nfs/dbraw/zinc/58/91/76/810589176.db2.gz MPMSWAXNWVGGCB-HRCADAONSA-N 1 1 296.430 3.014 20 30 CGEDMO CCCCCC[N@@H+](C)[C@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190084846 810607015 /nfs/dbraw/zinc/60/70/15/810607015.db2.gz SUUHMQTXZFPPLU-INIZCTEOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@H]([N@H+](C)CCCCC)C1 ZINC001190391204 810624954 /nfs/dbraw/zinc/62/49/54/810624954.db2.gz XSNVPAJZZNMGFV-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]([N@H+](C)CCCCCC)C1 ZINC001190435692 810628348 /nfs/dbraw/zinc/62/83/48/810628348.db2.gz IUWMYVOCWNGJCI-INIZCTEOSA-N 1 1 280.456 3.456 20 30 CGEDMO CC[N@@H+](C[C@@H](C)C#N)C[C@H]1CCCC12CCOCC2 ZINC001190642783 810641960 /nfs/dbraw/zinc/64/19/60/810641960.db2.gz HRWMNLFPSWJLCI-LSDHHAIUSA-N 1 1 264.413 3.065 20 30 CGEDMO C=C/C=C/CC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC001190819780 810650898 /nfs/dbraw/zinc/65/08/98/810650898.db2.gz YCBCUPGTYSOXJQ-ONEGZZNKSA-N 1 1 281.403 3.203 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H]2C=CCCC2)C1 ZINC001190869038 810653907 /nfs/dbraw/zinc/65/39/07/810653907.db2.gz JCZBBEIKUFQWLL-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)C(C)(C)C)C1 ZINC001190932852 810657118 /nfs/dbraw/zinc/65/71/18/810657118.db2.gz DRVSSNVIHKERLO-CABCVRRESA-N 1 1 280.456 3.168 20 30 CGEDMO CCCCCCCCNC(=O)N1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001191068501 810669801 /nfs/dbraw/zinc/66/98/01/810669801.db2.gz PKFADZOUKMJNDV-CVEARBPZSA-N 1 1 295.471 3.083 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC001191201594 810688204 /nfs/dbraw/zinc/68/82/04/810688204.db2.gz AVXSPPJVJANVEA-IYBDPMFKSA-N 1 1 254.377 3.263 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CC2(C)CC2)C1 ZINC001191414957 810711415 /nfs/dbraw/zinc/71/14/15/810711415.db2.gz QAXJQYVSZYHXHX-GJZGRUSLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CC=CCC2)C1 ZINC001191727444 810733079 /nfs/dbraw/zinc/73/30/79/810733079.db2.gz LZOWLBLFIGGZGG-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[C@H]([N@@H+](C)CCC(=C)C)C1 ZINC001191890073 810754604 /nfs/dbraw/zinc/75/46/04/810754604.db2.gz NPDFJWIYIMZUJZ-CVEARBPZSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[C@@H]([N@@H+](C)CC=C(C)C)C1 ZINC001191889507 810754642 /nfs/dbraw/zinc/75/46/42/810754642.db2.gz HBBJQPDAASKZNC-HZPDHXFCSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCCC(=O)N1CC[C@@H]([N@@H+](C)CCCCCF)C1 ZINC001192093090 810768991 /nfs/dbraw/zinc/76/89/91/810768991.db2.gz HHTDZHFTMXMEGL-OAHLLOKOSA-N 1 1 284.419 3.015 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C2CCC(F)CC2)C1 ZINC001192171085 810772382 /nfs/dbraw/zinc/77/23/82/810772382.db2.gz SMFLSMNORDYYFJ-UYSNPLJNSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC[C@@H]([N@H+](C)CC/C=C/CC)C2)C1 ZINC001192257669 810781782 /nfs/dbraw/zinc/78/17/82/810781782.db2.gz PMGTYWFPMPAWIU-FYCOFBDGSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C2(CF)CCC2)C1 ZINC001192416575 810795477 /nfs/dbraw/zinc/79/54/77/810795477.db2.gz MVPDYOCVRQEHFF-GJZGRUSLSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2CC)C1 ZINC001192436430 810797528 /nfs/dbraw/zinc/79/75/28/810797528.db2.gz WBZHTLCMSZNABB-IXDOHACOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC23CC3)C1 ZINC001192533902 810805961 /nfs/dbraw/zinc/80/59/61/810805961.db2.gz QSJOJPMYGOPPFK-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)CC=C)C1 ZINC001192587059 810808446 /nfs/dbraw/zinc/80/84/46/810808446.db2.gz ZGGQGQLYCHGAPI-JKSUJKDBSA-N 1 1 292.467 3.476 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)c2cc(C)cc(C)c2)C1 ZINC001193696866 810937865 /nfs/dbraw/zinc/93/78/65/810937865.db2.gz URQVAAAZWSDATA-KRWDZBQOSA-N 1 1 286.419 3.026 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)C(C)(C)C)C1 ZINC001193713165 810940080 /nfs/dbraw/zinc/94/00/80/810940080.db2.gz JEYBJBZPSJMNBC-HUUCEWRRSA-N 1 1 280.456 3.168 20 30 CGEDMO CCCCCCCOC(=O)NC[C@H]1CCCC[N@H+]1C ZINC001194012546 811001559 /nfs/dbraw/zinc/00/15/59/811001559.db2.gz SOQYBYDOOYPLDR-CQSZACIVSA-N 1 1 270.417 3.167 20 30 CGEDMO CCCCCCCOC(=O)N[C@@H]1CCC[N@@H+](C)CC1 ZINC001194013420 811001847 /nfs/dbraw/zinc/00/18/47/811001847.db2.gz XLXZQXHXZJJGJD-CQSZACIVSA-N 1 1 270.417 3.167 20 30 CGEDMO C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)CCCCC)C1 ZINC001194182806 811029209 /nfs/dbraw/zinc/02/92/09/811029209.db2.gz GQBXDXXOZFVLOO-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO C#CCOCC[N@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC001194269881 811045224 /nfs/dbraw/zinc/04/52/24/811045224.db2.gz SBVWVRQIYYNRCH-UHFFFAOYSA-N 1 1 295.785 3.341 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001194344536 811055769 /nfs/dbraw/zinc/05/57/69/811055769.db2.gz CJIRCUZIQONNGU-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)c2ccoc2C(C)C)C1 ZINC001194367670 811060464 /nfs/dbraw/zinc/06/04/64/811060464.db2.gz KHRFYZWRVOQUOL-AWEZNQCLSA-N 1 1 290.407 3.125 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC001195083897 811197765 /nfs/dbraw/zinc/19/77/65/811197765.db2.gz JVEAOGPWECEQDJ-KRWDZBQOSA-N 1 1 285.435 3.090 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](CCO[C@@H]2CCCC[C@H]2C)C1 ZINC001195463877 811258523 /nfs/dbraw/zinc/25/85/23/811258523.db2.gz OUISYHGRMOWDGC-BRWVUGGUSA-N 1 1 263.425 3.317 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCN(C(=O)C2(C)CC2)CC1 ZINC001195906795 811301016 /nfs/dbraw/zinc/30/10/16/811301016.db2.gz DZWRJWZPNGWJPL-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)CC(C)(C)C=C)CC1 ZINC001195982014 811307233 /nfs/dbraw/zinc/30/72/33/811307233.db2.gz MCJIDCQZHCULPM-UHFFFAOYSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)OCCC ZINC001196058342 811314282 /nfs/dbraw/zinc/31/42/82/811314282.db2.gz ZSIJRZKQKFHGFB-MCIONIFRSA-N 1 1 253.386 3.053 20 30 CGEDMO C=CCCC[N@H+]1CCCN(C(=O)C[C@@H]2C=CCCC2)CC1 ZINC001196269370 811329617 /nfs/dbraw/zinc/32/96/17/811329617.db2.gz VCWDAJJBEBODHR-QGZVFWFLSA-N 1 1 290.451 3.233 20 30 CGEDMO C#CC[N@H+]1CCCN(C(=O)[C@@H](CC)CCCCCC)CC1 ZINC001196732792 811361589 /nfs/dbraw/zinc/36/15/89/811361589.db2.gz UBWQHMNHQRLHLL-KRWDZBQOSA-N 1 1 292.467 3.151 20 30 CGEDMO C#CC[N@@H+]1CCCN(C(=O)[C@@H](CC)CCCCCC)CC1 ZINC001196732792 811361595 /nfs/dbraw/zinc/36/15/95/811361595.db2.gz UBWQHMNHQRLHLL-KRWDZBQOSA-N 1 1 292.467 3.151 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)C[C@H]2CC[C@H](C)C2)CC1 ZINC001196789930 811367476 /nfs/dbraw/zinc/36/74/76/811367476.db2.gz DPDHEBBFTYFNAW-IRXDYDNUSA-N 1 1 292.467 3.313 20 30 CGEDMO C#CC[N@H+](CCN1CCCc2ccccc21)C(C)(C)C ZINC001197929350 811464620 /nfs/dbraw/zinc/46/46/20/811464620.db2.gz GGUTZYLHGWDAPE-UHFFFAOYSA-N 1 1 270.420 3.173 20 30 CGEDMO CC#CC[N@H+]1CCCN(C(=O)[C@@H](CCC)CC(C)C)CC1 ZINC001198316050 811490921 /nfs/dbraw/zinc/49/09/21/811490921.db2.gz RCMZLWHLGUTBFC-KRWDZBQOSA-N 1 1 292.467 3.006 20 30 CGEDMO CC#CC[N@@H+]1CCCN(C(=O)[C@@H](CCC)CC(C)C)CC1 ZINC001198316050 811490925 /nfs/dbraw/zinc/49/09/25/811490925.db2.gz RCMZLWHLGUTBFC-KRWDZBQOSA-N 1 1 292.467 3.006 20 30 CGEDMO C#CCC[N@@H+]1CCCN(C(=O)[C@H](CCCC)C(C)C)CC1 ZINC001198304725 811491455 /nfs/dbraw/zinc/49/14/55/811491455.db2.gz ZWQGPAJJSVKOIN-QGZVFWFLSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCC1(C(=O)N2CCC[N@H+](CC(C)C)CC2)CCCC1 ZINC001198422561 811500872 /nfs/dbraw/zinc/50/08/72/811500872.db2.gz BZGNQNGBJCOZLT-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCOc1cccc(CNC[C@H]2CCC[N@@H+](CC)C2)c1 ZINC001199844165 811602444 /nfs/dbraw/zinc/60/24/44/811602444.db2.gz WKXRMLJHTAUIGQ-QGZVFWFLSA-N 1 1 288.435 3.073 20 30 CGEDMO C=CCOc1cccc(CNC[C@H]2CCC[N@H+](CC)C2)c1 ZINC001199844165 811602449 /nfs/dbraw/zinc/60/24/49/811602449.db2.gz WKXRMLJHTAUIGQ-QGZVFWFLSA-N 1 1 288.435 3.073 20 30 CGEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](CC1CCCCC1)C2 ZINC001201397588 811828140 /nfs/dbraw/zinc/82/81/40/811828140.db2.gz NAVUWEJIXFZCGZ-ROUUACIJSA-N 1 1 293.451 3.393 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](CC(C)(C)C)CC2 ZINC001201435721 811845165 /nfs/dbraw/zinc/84/51/65/811845165.db2.gz NTCQWTJAYNLURX-KRWDZBQOSA-N 1 1 278.440 3.066 20 30 CGEDMO CCCCCCC[N@@H+]1Cc2cnn(CC)c2[C@@H](COC)C1 ZINC001201762928 811963343 /nfs/dbraw/zinc/96/33/43/811963343.db2.gz ZXDNUWBCVFIVIV-MRXNPFEDSA-N 1 1 293.455 3.419 20 30 CGEDMO CCCCCCC[N@H+]1CCCC[C@H]1C(=O)NCCC ZINC001201787912 811965334 /nfs/dbraw/zinc/96/53/34/811965334.db2.gz PSWXPYBYFBTVNX-HNNXBMFYSA-N 1 1 268.445 3.338 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](Oc2ncc(C)cn2)C1 ZINC001201797694 811966480 /nfs/dbraw/zinc/96/64/80/811966480.db2.gz CYHBGHSWMMVWIC-OAHLLOKOSA-N 1 1 277.412 3.209 20 30 CGEDMO CCCCCCCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001201852990 811973190 /nfs/dbraw/zinc/97/31/90/811973190.db2.gz WLRIQLFNHZMDST-HNNXBMFYSA-N 1 1 268.445 3.290 20 30 CGEDMO N#CCC[N@@H+](Cc1ccc(Cl)cc1)CC1CCOCC1 ZINC001202596869 812131647 /nfs/dbraw/zinc/13/16/47/812131647.db2.gz JODWQIRXBLCWBD-UHFFFAOYSA-N 1 1 292.810 3.482 20 30 CGEDMO N#CCC[N@H+](Cc1ccc(Cl)cc1)CC1CCOCC1 ZINC001202596869 812131651 /nfs/dbraw/zinc/13/16/51/812131651.db2.gz JODWQIRXBLCWBD-UHFFFAOYSA-N 1 1 292.810 3.482 20 30 CGEDMO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001202762850 812169647 /nfs/dbraw/zinc/16/96/47/812169647.db2.gz SJGKEWYEJFVAEE-MRXNPFEDSA-N 1 1 270.376 3.202 20 30 CGEDMO N#Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC001203285784 812292270 /nfs/dbraw/zinc/29/22/70/812292270.db2.gz UMVCNZDFVHYAMR-INIZCTEOSA-N 1 1 282.343 3.195 20 30 CGEDMO N#Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3ccco3)C2)cc1 ZINC001203284666 812292548 /nfs/dbraw/zinc/29/25/48/812292548.db2.gz KRMWMXACMHXOED-QGZVFWFLSA-N 1 1 282.343 3.195 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1ccc(O)c(OCC)c1 ZINC001204129373 812553012 /nfs/dbraw/zinc/55/30/12/812553012.db2.gz MJGPLUAVOYZICH-UHFFFAOYSA-N 1 1 276.380 3.307 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1ccc(O)c(OCC)c1 ZINC001204129373 812553017 /nfs/dbraw/zinc/55/30/17/812553017.db2.gz MJGPLUAVOYZICH-UHFFFAOYSA-N 1 1 276.380 3.307 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)CC1 ZINC001204223143 812578487 /nfs/dbraw/zinc/57/84/87/812578487.db2.gz SDLNRUCQRAWVSA-NSHDSACASA-N 1 1 250.292 3.090 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)CC1 ZINC001204223143 812578490 /nfs/dbraw/zinc/57/84/90/812578490.db2.gz SDLNRUCQRAWVSA-NSHDSACASA-N 1 1 250.292 3.090 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCc3cnccc3C2)cc1 ZINC001204297106 812603040 /nfs/dbraw/zinc/60/30/40/812603040.db2.gz AXEZRXJIDLQCFK-UHFFFAOYSA-N 1 1 280.371 3.205 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCc3cnccc3C2)cc1 ZINC001204297106 812603044 /nfs/dbraw/zinc/60/30/44/812603044.db2.gz AXEZRXJIDLQCFK-UHFFFAOYSA-N 1 1 280.371 3.205 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)cc1 ZINC001204297656 812603287 /nfs/dbraw/zinc/60/32/87/812603287.db2.gz MMOWIAIKEKCEGC-AEFFLSMTSA-N 1 1 287.403 3.252 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@@H+](Cc1ccc3c(c1)CCO3)CC2 ZINC001204487687 812654271 /nfs/dbraw/zinc/65/42/71/812654271.db2.gz NBPKCAVBNQWIAZ-UHFFFAOYSA-N 1 1 290.366 3.051 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@H+](Cc1ccc3c(c1)CCO3)CC2 ZINC001204487687 812654276 /nfs/dbraw/zinc/65/42/76/812654276.db2.gz NBPKCAVBNQWIAZ-UHFFFAOYSA-N 1 1 290.366 3.051 20 30 CGEDMO C#CC1CC[NH+](Cc2cc(F)ccc2Br)CC1 ZINC001204541866 812673232 /nfs/dbraw/zinc/67/32/32/812673232.db2.gz BAEUUUCARIALSQ-UHFFFAOYSA-N 1 1 296.183 3.433 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC[C@H]2Cc2ccc(OC)cc2)cc1 ZINC001204633318 812696743 /nfs/dbraw/zinc/69/67/43/812696743.db2.gz SOMSHOJLNJTIRD-IBGZPJMESA-N 1 1 291.394 3.494 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)nc2)CC1 ZINC001205441091 812984387 /nfs/dbraw/zinc/98/43/87/812984387.db2.gz KDLUMFZRNZUEED-NSHDSACASA-N 1 1 283.297 3.226 20 30 CGEDMO COCC[C@@H]1CCCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001205478936 812989969 /nfs/dbraw/zinc/98/99/69/812989969.db2.gz JBFIJEIXDVTSCK-HNNXBMFYSA-N 1 1 276.355 3.088 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OCCCC#N ZINC001205648908 813040481 /nfs/dbraw/zinc/04/04/81/813040481.db2.gz QAGCXOZPJSESOH-DOTOQJQBSA-N 1 1 272.392 3.217 20 30 CGEDMO C=CC[C@H]([NH2+]CCC1CCCCCC1)C(=O)OCC ZINC001205661590 813046429 /nfs/dbraw/zinc/04/64/29/813046429.db2.gz XJMWZSHFPJKWCB-HNNXBMFYSA-N 1 1 267.413 3.444 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H](C)CC[C@@H]2CN)CC1 ZINC001205803346 813082502 /nfs/dbraw/zinc/08/25/02/813082502.db2.gz GKACAWKWWQHQQQ-DJIMGWMZSA-N 1 1 262.441 3.348 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@H](C)CC[C@@H]2CN)CC1 ZINC001205803346 813082512 /nfs/dbraw/zinc/08/25/12/813082512.db2.gz GKACAWKWWQHQQQ-DJIMGWMZSA-N 1 1 262.441 3.348 20 30 CGEDMO C#CC[N@H+](Cc1cc(OC)cc(C(F)(F)F)c1)C1CC1 ZINC001205883434 813119118 /nfs/dbraw/zinc/11/91/18/813119118.db2.gz VGHRVIOINCYPRJ-UHFFFAOYSA-N 1 1 283.293 3.312 20 30 CGEDMO C=C(C)COc1ccccc1CN1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205901261 813122506 /nfs/dbraw/zinc/12/25/06/813122506.db2.gz CCMKBPOWNCEUDQ-CVEARBPZSA-N 1 1 288.435 3.201 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(CC)CC)C1 ZINC001206123394 813207131 /nfs/dbraw/zinc/20/71/31/813207131.db2.gz WBHUYIVSAPGQSI-IIAWOOMASA-N 1 1 280.456 3.214 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(C)c(C3OCCO3)cc2C)C1 ZINC001206463734 813327288 /nfs/dbraw/zinc/32/72/88/813327288.db2.gz LHMPUQAYVBSBSG-MRXNPFEDSA-N 1 1 299.414 3.194 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC=CC2)C1 ZINC001206692477 813399749 /nfs/dbraw/zinc/39/97/49/813399749.db2.gz MOIZBMQFIWATSB-NVXWUHKLSA-N 1 1 290.451 3.136 20 30 CGEDMO Cc1cc(C#N)c(Nc2c[nH+]c(N(C)C)cc2C)s1 ZINC001206714500 813405356 /nfs/dbraw/zinc/40/53/56/813405356.db2.gz MHLQNCFBDRXJGX-UHFFFAOYSA-N 1 1 272.377 3.441 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1Nc1ccc(CC#N)cc1 ZINC001206736026 813412694 /nfs/dbraw/zinc/41/26/94/813412694.db2.gz AUYIIDZRNWDHGV-UHFFFAOYSA-N 1 1 266.348 3.266 20 30 CGEDMO COc1cc(Nc2c[nH+]c(N(C)C)cc2C)ccc1C#N ZINC001206744214 813416876 /nfs/dbraw/zinc/41/68/76/813416876.db2.gz RTEFYSQZNOLITD-UHFFFAOYSA-N 1 1 282.347 3.080 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(F)ccc2N(C)C)C1 ZINC001206800735 813440149 /nfs/dbraw/zinc/44/01/49/813440149.db2.gz MCOHGYJRRWPHEX-CYBMUJFWSA-N 1 1 262.372 3.290 20 30 CGEDMO C=C(C)C[C@H]([NH2+][C@H](C)CCCCCC)C(=O)OC ZINC001207128873 813493300 /nfs/dbraw/zinc/49/33/00/813493300.db2.gz HAKHTRQJYQKMQL-KGLIPLIRSA-N 1 1 255.402 3.443 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](CCc2ccc(Br)cc2)C1 ZINC001207386192 813556700 /nfs/dbraw/zinc/55/67/00/813556700.db2.gz ULTHZGMAZPGYLE-CYBMUJFWSA-N 1 1 293.208 3.227 20 30 CGEDMO N#C[C@H]1CCC[N@H+](CCc2ccc(Br)cc2)C1 ZINC001207386192 813556706 /nfs/dbraw/zinc/55/67/06/813556706.db2.gz ULTHZGMAZPGYLE-CYBMUJFWSA-N 1 1 293.208 3.227 20 30 CGEDMO COc1cccc(CCC[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1 ZINC001207572814 813598138 /nfs/dbraw/zinc/59/81/38/813598138.db2.gz KXGUUVWKIWRCFQ-OSYLJGHBSA-N 1 1 284.403 3.394 20 30 CGEDMO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1nc2ccccc2o1 ZINC001207610588 813612595 /nfs/dbraw/zinc/61/25/95/813612595.db2.gz BYGFKWNSGBGUKZ-CYBMUJFWSA-N 1 1 299.374 3.016 20 30 CGEDMO C#CC[N@@H+](C[C@H](C)c1cc(F)cc(F)c1)C(C)C ZINC001207715650 813640227 /nfs/dbraw/zinc/64/02/27/813640227.db2.gz JADPAEKKUYUKNP-LBPRGKRZSA-N 1 1 251.320 3.412 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1ccc(C#N)c(OC)c1 ZINC001207736071 813642301 /nfs/dbraw/zinc/64/23/01/813642301.db2.gz YWWPZODKVJGWJN-UHFFFAOYSA-N 1 1 258.365 3.355 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2(C)CC2)C1 ZINC001208039313 813687512 /nfs/dbraw/zinc/68/75/12/813687512.db2.gz GVDGGEYKCYDZKB-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H](CO)CC[C@H]2C)CC1 ZINC001208170048 813724678 /nfs/dbraw/zinc/72/46/78/813724678.db2.gz BZGLVMBDAIKBCE-DJIMGWMZSA-N 1 1 263.425 3.382 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001208178189 813728445 /nfs/dbraw/zinc/72/84/45/813728445.db2.gz MVEHWFCLJWDPBD-MRXNPFEDSA-N 1 1 262.441 3.315 20 30 CGEDMO C=C(C)[C@@H]1CC=C(CN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001208178189 813728451 /nfs/dbraw/zinc/72/84/51/813728451.db2.gz MVEHWFCLJWDPBD-MRXNPFEDSA-N 1 1 262.441 3.315 20 30 CGEDMO C=C(C)[C@@H]1CC=C(CN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001208178189 813728453 /nfs/dbraw/zinc/72/84/53/813728453.db2.gz MVEHWFCLJWDPBD-MRXNPFEDSA-N 1 1 262.441 3.315 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC(CC)CC)C[C@H]1C ZINC001208391210 813759393 /nfs/dbraw/zinc/75/93/93/813759393.db2.gz LLZQJCXOPRFCPV-BFYDXBDKSA-N 1 1 294.483 3.461 20 30 CGEDMO N#C[C@H]1CCCN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001208588398 813769380 /nfs/dbraw/zinc/76/93/80/813769380.db2.gz HRUQZHFNEVVEIK-RTBURBONSA-N 1 1 297.446 3.277 20 30 CGEDMO N#Cc1ccccc1O[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001208687494 813796807 /nfs/dbraw/zinc/79/68/07/813796807.db2.gz FDQWYJLYORRLHM-INIZCTEOSA-N 1 1 270.376 3.202 20 30 CGEDMO C[C@@H](C[N@H+]1CCC[C@@H](CC#N)C1)OCc1ccccc1 ZINC001208700876 813804810 /nfs/dbraw/zinc/80/48/10/813804810.db2.gz OAQQBUKWMHUDPA-HOTGVXAUSA-N 1 1 272.392 3.217 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCc1cccnc1OC(C)C ZINC001208800225 813852074 /nfs/dbraw/zinc/85/20/74/813852074.db2.gz JYNHVKKMUPZABW-UHFFFAOYSA-N 1 1 262.397 3.309 20 30 CGEDMO N#CCC1C[NH+](CCCc2ccccc2Br)C1 ZINC001208847768 813863684 /nfs/dbraw/zinc/86/36/84/813863684.db2.gz VKXJQHAROAMXII-UHFFFAOYSA-N 1 1 293.208 3.227 20 30 CGEDMO CC[N@@H+](CCCc1cccc(C#N)c1)Cc1ccncc1 ZINC001208844457 813863871 /nfs/dbraw/zinc/86/38/71/813863871.db2.gz IDLCEVOSYUHYIC-UHFFFAOYSA-N 1 1 279.387 3.408 20 30 CGEDMO N#Cc1cccc(CCC[N@H+]2CCc3ncsc3C2)c1 ZINC001208851377 813867552 /nfs/dbraw/zinc/86/75/52/813867552.db2.gz XYHSWTOXNZKRLT-UHFFFAOYSA-N 1 1 283.400 3.006 20 30 CGEDMO N#Cc1ccc(CCC[N@H+]2CC[C@H](c3cccnc3)C2)cc1 ZINC001208858294 813868327 /nfs/dbraw/zinc/86/83/27/813868327.db2.gz JSRZZGDPXVHOJM-IBGZPJMESA-N 1 1 291.398 3.375 20 30 CGEDMO N#Cc1ccc(CCC[N@H+]2CC[C@H](c3ccncc3)C2)cc1 ZINC001208858782 813868845 /nfs/dbraw/zinc/86/88/45/813868845.db2.gz PAWPSKSCJIKNGC-IBGZPJMESA-N 1 1 291.398 3.375 20 30 CGEDMO N#Cc1ccc(CCC[N@H+]2CC3CCC2CC3)cc1 ZINC001208861860 813871645 /nfs/dbraw/zinc/87/16/45/813871645.db2.gz BWQZEWFJMGHHGA-UHFFFAOYSA-N 1 1 254.377 3.365 20 30 CGEDMO C[C@H](C[N@H+]1CC[C@](CF)(C(F)(F)F)C1)C(F)(F)F ZINC001208896555 813886793 /nfs/dbraw/zinc/88/67/93/813886793.db2.gz WVCYQSGAEAKDQR-HTQZYQBOSA-N 1 1 281.215 3.409 20 30 CGEDMO CC[N@@H+](CCC#N)CC1CCN(c2ccccc2)CC1 ZINC001208914551 813896651 /nfs/dbraw/zinc/89/66/51/813896651.db2.gz OFINZIMFKWQOHZ-UHFFFAOYSA-N 1 1 271.408 3.139 20 30 CGEDMO N#C[C@H]1CCCCN1C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208939740 813903256 /nfs/dbraw/zinc/90/32/56/813903256.db2.gz HTSUQYDYGRCRNX-RBUKOAKNSA-N 1 1 297.446 3.277 20 30 CGEDMO N#C[C@@H]1CCCCN1C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208939739 813904052 /nfs/dbraw/zinc/90/40/52/813904052.db2.gz HTSUQYDYGRCRNX-OALUTQOASA-N 1 1 297.446 3.277 20 30 CGEDMO C[N@@H+]1CC=C(Nc2cc(Cl)c(Cl)cc2C#N)CC1 ZINC001208979620 813910132 /nfs/dbraw/zinc/91/01/32/813910132.db2.gz LQNPNBMJRDGQCJ-UHFFFAOYSA-N 1 1 282.174 3.496 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)OCC=C)C2 ZINC001209157165 813949888 /nfs/dbraw/zinc/94/98/88/813949888.db2.gz PQSDSYPJFIYDGX-QGZVFWFLSA-N 1 1 292.423 3.063 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001209163043 813953222 /nfs/dbraw/zinc/95/32/22/813953222.db2.gz SEQOBAQMCRUEDM-KRWDZBQOSA-N 1 1 270.376 3.368 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001209163994 813954006 /nfs/dbraw/zinc/95/40/06/813954006.db2.gz QNHVLJITAIFAPP-KRWDZBQOSA-N 1 1 270.376 3.368 20 30 CGEDMO C=CCCCC[N@@H+]1CCCC[C@@](O)(C(F)(F)F)C1 ZINC001209201889 813964806 /nfs/dbraw/zinc/96/48/06/813964806.db2.gz XWUZXBOPBTYDQS-LBPRGKRZSA-N 1 1 265.319 3.122 20 30 CGEDMO C=CCCCC[N@H+]1CCN2CCc3ccccc3[C@@H]2C1 ZINC001209207076 813968297 /nfs/dbraw/zinc/96/82/97/813968297.db2.gz KJTRLKVHSIFBOZ-SFHVURJKSA-N 1 1 270.420 3.258 20 30 CGEDMO COCCCC[N@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001209218495 813970876 /nfs/dbraw/zinc/97/08/76/813970876.db2.gz GWFXSQWXJRKACS-UHFFFAOYSA-N 1 1 280.799 3.482 20 30 CGEDMO COCCCC[N@@H+](CCC#N)Cc1ccc(Cl)cc1 ZINC001209218495 813970882 /nfs/dbraw/zinc/97/08/82/813970882.db2.gz GWFXSQWXJRKACS-UHFFFAOYSA-N 1 1 280.799 3.482 20 30 CGEDMO C#CCCC[N@H+](C)[C@@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001209266027 813987766 /nfs/dbraw/zinc/98/77/66/813987766.db2.gz OVQLKMSJFMFYKN-PKOBYXMFSA-N 1 1 284.447 3.242 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC001209268999 813989313 /nfs/dbraw/zinc/98/93/13/813989313.db2.gz CMYCCLXODMVIAQ-INIZCTEOSA-N 1 1 259.368 3.494 20 30 CGEDMO N#CCC1C[NH+](CCc2ccccc2C(F)(F)F)C1 ZINC001209280748 813991353 /nfs/dbraw/zinc/99/13/53/813991353.db2.gz XZQCCUSSFNGYGN-UHFFFAOYSA-N 1 1 268.282 3.093 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001209423336 814026147 /nfs/dbraw/zinc/02/61/47/814026147.db2.gz SOVDQLYRQVOXSM-YOEHRIQHSA-N 1 1 294.439 3.332 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001209428867 814029363 /nfs/dbraw/zinc/02/93/63/814029363.db2.gz OJULTYWLRAWAAX-SDDRHHMPSA-N 1 1 263.303 3.137 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001209428867 814029369 /nfs/dbraw/zinc/02/93/69/814029369.db2.gz OJULTYWLRAWAAX-SDDRHHMPSA-N 1 1 263.303 3.137 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@](C)(C(=O)OCC)C1 ZINC001209429125 814030343 /nfs/dbraw/zinc/03/03/43/814030343.db2.gz VNPKHWIPLHTFCG-INIZCTEOSA-N 1 1 267.413 3.398 20 30 CGEDMO C=CCCCCCC[N@@H+]1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001209435785 814036346 /nfs/dbraw/zinc/03/63/46/814036346.db2.gz NIGLLMYEKFVVIV-OLZOCXBDSA-N 1 1 259.340 3.089 20 30 CGEDMO C=CCCCCCC[N@H+]1CCN(C(C)(C)C)C(=O)C1 ZINC001209436561 814037034 /nfs/dbraw/zinc/03/70/34/814037034.db2.gz VAGHOAODIFJVMY-UHFFFAOYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCCCCCC[N@@H+]1CCN(C(C)(C)C)C(=O)C1 ZINC001209436561 814037043 /nfs/dbraw/zinc/03/70/43/814037043.db2.gz VAGHOAODIFJVMY-UHFFFAOYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCCCCCCC[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC001209442850 814043808 /nfs/dbraw/zinc/04/38/08/814043808.db2.gz XOFTZKKYWMSOHV-INIZCTEOSA-N 1 1 280.412 3.087 20 30 CGEDMO Cc1ccc2[nH]cc(C[N@H+]3CC[C@@H]4SC(=O)C=C4C3)c2c1 ZINC001209494536 814062095 /nfs/dbraw/zinc/06/20/95/814062095.db2.gz HTVBOYDFANCCSL-INIZCTEOSA-N 1 1 298.411 3.250 20 30 CGEDMO Cc1ccc2[nH]cc(C[N@@H+]3CCC4SC(=O)C=C4C3)c2c1 ZINC001209494536 814062100 /nfs/dbraw/zinc/06/21/00/814062100.db2.gz HTVBOYDFANCCSL-INIZCTEOSA-N 1 1 298.411 3.250 20 30 CGEDMO Cc1ccc2[nH]cc(C[N@H+]3CCC4SC(=O)C=C4C3)c2c1 ZINC001209494536 814062107 /nfs/dbraw/zinc/06/21/07/814062107.db2.gz HTVBOYDFANCCSL-INIZCTEOSA-N 1 1 298.411 3.250 20 30 CGEDMO CC1(C#N)CC[NH+](Cc2c[nH]c3ncc(Cl)cc23)CC1 ZINC001209600409 814096647 /nfs/dbraw/zinc/09/66/47/814096647.db2.gz MZKRUCNCOIATQZ-UHFFFAOYSA-N 1 1 288.782 3.342 20 30 CGEDMO C=CC[N@H+](Cc1cc2c(c(OC)c1)OCO2)C(C)(C)C ZINC001209719502 814119061 /nfs/dbraw/zinc/11/90/61/814119061.db2.gz TZNTUTDPCSKUAB-UHFFFAOYSA-N 1 1 277.364 3.210 20 30 CGEDMO CN(C)c1ccccc1C[N@H+](CCC#N)C1CCCC1 ZINC001209777850 814137650 /nfs/dbraw/zinc/13/76/50/814137650.db2.gz KJKIIHSCDMFHHS-UHFFFAOYSA-N 1 1 271.408 3.411 20 30 CGEDMO CN(C)c1ccccc1C[N@@H+](CCC#N)C1CCCC1 ZINC001209777850 814137653 /nfs/dbraw/zinc/13/76/53/814137653.db2.gz KJKIIHSCDMFHHS-UHFFFAOYSA-N 1 1 271.408 3.411 20 30 CGEDMO N#Cc1ccc(Nc2ccc3[nH]c[nH+]c3c2)cc1F ZINC001209847878 814165858 /nfs/dbraw/zinc/16/58/58/814165858.db2.gz WTRVFQAPJRNZPR-UHFFFAOYSA-N 1 1 252.252 3.317 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)CC(C)C)C1 ZINC001210214456 814344382 /nfs/dbraw/zinc/34/43/82/814344382.db2.gz ZXZDISLPVLQZLN-BRWVUGGUSA-N 1 1 294.483 3.461 20 30 CGEDMO CCOC(=[NH2+])c1ccc(C2=CC(=O)C[C@H](C)C2)cc1 ZINC001242744338 823119938 /nfs/dbraw/zinc/11/99/38/823119938.db2.gz JRSQIHXNBIXIGY-LLVKDONJSA-N 1 1 257.333 3.431 20 30 CGEDMO Cc1ccc(C#N)cc1Nc1cc[nH+]cc1C(F)(F)F ZINC001210498001 814491359 /nfs/dbraw/zinc/49/13/59/814491359.db2.gz GYHPAFSSSCDGGQ-UHFFFAOYSA-N 1 1 277.249 3.446 20 30 CGEDMO Cc1[nH+]c2c(NC3=CC(=O)C[C@H](C)C3)cccn2c1C ZINC001210770782 814617444 /nfs/dbraw/zinc/61/74/44/814617444.db2.gz PJPYHNRWDIWVAI-SNVBAGLBSA-N 1 1 269.348 3.246 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CCC)CC(C)C)C1 ZINC001211399438 814888857 /nfs/dbraw/zinc/88/88/57/814888857.db2.gz PECYADHRISGIDJ-OWCLPIDISA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCCCCCC[C@@H](C)Oc1ncnc2c1C[NH2+]C2 ZINC001218356451 816176327 /nfs/dbraw/zinc/17/63/27/816176327.db2.gz HERIATLBNWUFIG-CYBMUJFWSA-N 1 1 275.396 3.374 20 30 CGEDMO C=CCCC(=O)N1C[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C[C@H]21 ZINC001221424503 816313042 /nfs/dbraw/zinc/31/30/42/816313042.db2.gz GYUDVLCDQWLUQC-CGTJXYLNSA-N 1 1 298.430 3.247 20 30 CGEDMO C=CCCC(=O)N1C[C@H]2CC[N@H+](C[C@H](C)CC(C)C)C[C@H]21 ZINC001221429036 816313599 /nfs/dbraw/zinc/31/35/99/816313599.db2.gz FFCKNMJQVZIUMJ-BRWVUGGUSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)CCCC)[C@@H]2C1 ZINC001221523927 816318189 /nfs/dbraw/zinc/31/81/89/816318189.db2.gz CGBVXBJNYCFZTD-GVDBMIGSSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC3(C)CC3)[C@@H]2C1 ZINC001221695610 816323560 /nfs/dbraw/zinc/32/35/60/816323560.db2.gz CJBAVODRORPJCK-ARFHVFGLSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C=C)[C@@H]2C1 ZINC001221731648 816324046 /nfs/dbraw/zinc/32/40/46/816324046.db2.gz MXMQZNQDSNLJDX-ARFHVFGLSA-N 1 1 290.451 3.086 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(CCC)CCC3)[C@@H]2C1 ZINC001221750479 816325462 /nfs/dbraw/zinc/32/54/62/816325462.db2.gz HJSOUNDJBWRSRU-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC(C)(C)C(=O)N1C[C@H]2CC[N@H+](CCC(C)C)C[C@H]21 ZINC001221838279 816329911 /nfs/dbraw/zinc/32/99/11/816329911.db2.gz ZXZMTXDMNAYXCD-HZPDHXFCSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCCCC)[C@@H]2C1 ZINC001221994760 816339451 /nfs/dbraw/zinc/33/94/51/816339451.db2.gz LHZQOTQDGCHZAT-IAGOWNOFSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)CCC(C)C)C[C@@H]21 ZINC001222246162 816386702 /nfs/dbraw/zinc/38/67/02/816386702.db2.gz SRLUQSFNUBAHGS-CABCVRRESA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCC(C)C)C[C@@H]21 ZINC001222246162 816386710 /nfs/dbraw/zinc/38/67/10/816386710.db2.gz SRLUQSFNUBAHGS-CABCVRRESA-N 1 1 298.858 3.098 20 30 CGEDMO Cc1cc(C#N)cc(C)c1-c1cc(-n2ccnc2)cc[nH+]1 ZINC001222648320 816490764 /nfs/dbraw/zinc/49/07/64/816490764.db2.gz ARZVTYAQSQUHLK-UHFFFAOYSA-N 1 1 274.327 3.423 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[C@H]2CC[N@H+](CCC)[C@H]2C1 ZINC001222746501 816513007 /nfs/dbraw/zinc/51/30/07/816513007.db2.gz YXHBQJZPTBINSB-WBVHZDCISA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]2CC[N@H+](C[C@H](C)CC)[C@H]2C1 ZINC001222781704 816517212 /nfs/dbraw/zinc/51/72/12/816517212.db2.gz QREHBASHPOQEAF-ZACQAIPSSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCCC(C)C)C[C@@H]21 ZINC001223564088 816652225 /nfs/dbraw/zinc/65/22/25/816652225.db2.gz UUWOVVRLVKCVLW-SJORKVTESA-N 1 1 292.467 3.312 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H](O[C@@H](C#N)c2ccccc2)C1 ZINC001223708295 816668640 /nfs/dbraw/zinc/66/86/40/816668640.db2.gz BFTTZLKPLUUUFC-HOTGVXAUSA-N 1 1 258.365 3.141 20 30 CGEDMO CC[N@H+]1CC[C@H](OCc2ccc(C#N)c3ccccc23)C1 ZINC001224029058 816724007 /nfs/dbraw/zinc/72/40/07/816724007.db2.gz OQCLHURRVMMWGD-INIZCTEOSA-N 1 1 280.371 3.322 20 30 CGEDMO CCCCCCCCCOC[C@H]1C[N@H+](C)CCO1 ZINC001224392964 816792181 /nfs/dbraw/zinc/79/21/81/816792181.db2.gz RCXIIOGXJNTLTC-OAHLLOKOSA-N 1 1 257.418 3.084 20 30 CGEDMO CCCCCCCCCOC[C@H]1C[N@@H+](C)CCO1 ZINC001224392964 816792184 /nfs/dbraw/zinc/79/21/84/816792184.db2.gz RCXIIOGXJNTLTC-OAHLLOKOSA-N 1 1 257.418 3.084 20 30 CGEDMO C=CCCCOC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC001224511010 816816181 /nfs/dbraw/zinc/81/61/81/816816181.db2.gz HXEGYLQDDOVOTR-UHFFFAOYSA-N 1 1 260.381 3.342 20 30 CGEDMO C[C@H](OC[C@@H]1CCCC[N@H+]1C)c1ccccc1C#N ZINC001224704609 816860320 /nfs/dbraw/zinc/86/03/20/816860320.db2.gz BCUDWFGHXYCGTB-ZFWWWQNUSA-N 1 1 258.365 3.120 20 30 CGEDMO C#CC[C@H](C)OC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001224826385 816890898 /nfs/dbraw/zinc/89/08/98/816890898.db2.gz PIMHXSAVGMJJGM-FUHWJXTLSA-N 1 1 271.404 3.327 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2ccccc2F)C1 ZINC001225200512 816957851 /nfs/dbraw/zinc/95/78/51/816957851.db2.gz JLTMGXNAXUWSED-MRXNPFEDSA-N 1 1 296.345 3.351 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2ccccc2F)C1 ZINC001225200512 816957857 /nfs/dbraw/zinc/95/78/57/816957857.db2.gz JLTMGXNAXUWSED-MRXNPFEDSA-N 1 1 296.345 3.351 20 30 CGEDMO C=C(C)n1c2ccccc2nc1O[C@H]1CCC[N@H+](C)CC1 ZINC001226219637 817302791 /nfs/dbraw/zinc/30/27/91/817302791.db2.gz XVXLAVOQFODLCP-AWEZNQCLSA-N 1 1 285.391 3.390 20 30 CGEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1nc(C(C)(C)C)ccc1C#N)C2 ZINC001226546037 817392890 /nfs/dbraw/zinc/39/28/90/817392890.db2.gz DKTFGBOHVYGJTF-FICVDOATSA-N 1 1 299.418 3.255 20 30 CGEDMO Cc1cc(C#N)cc(Cl)c1O[C@@H]1CC[N@H+](C(C)C)C1 ZINC001226596185 817409857 /nfs/dbraw/zinc/40/98/57/817409857.db2.gz WJRRDURZJYOOGN-CYBMUJFWSA-N 1 1 278.783 3.382 20 30 CGEDMO Cc1cc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(C)c1C#N ZINC001226830847 817478487 /nfs/dbraw/zinc/47/84/87/817478487.db2.gz DDZAVAYPRSYUTO-FOLVSLTJSA-N 1 1 270.376 3.179 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)CC2(C)CCCC2)CC1 ZINC001227183592 817583533 /nfs/dbraw/zinc/58/35/33/817583533.db2.gz VIPGXPRDZYTHBG-UHFFFAOYSA-N 1 1 298.858 3.290 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](Oc2ccc(Cl)cc2C#N)C1 ZINC001227205720 817592376 /nfs/dbraw/zinc/59/23/76/817592376.db2.gz QPQOZBZPQMRHRA-ZDUSSCGKSA-N 1 1 264.756 3.073 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H](Oc2cccc3nc(C#N)ccc32)C1 ZINC001227798781 817723396 /nfs/dbraw/zinc/72/33/96/817723396.db2.gz WUNSTHTYXNOLNY-OAHLLOKOSA-N 1 1 295.386 3.358 20 30 CGEDMO CCCc1cc(C)nc(O[C@H]2CCC[N@@H+](CC)C2)c1C#N ZINC001228600210 817950708 /nfs/dbraw/zinc/95/07/08/817950708.db2.gz ZMWRREAMKGMGLI-HNNXBMFYSA-N 1 1 287.407 3.077 20 30 CGEDMO C=CCc1ccccc1O[C@@H]1CCc2[nH+]ccn2C1 ZINC001228846482 818021387 /nfs/dbraw/zinc/02/13/87/818021387.db2.gz KOOCPKVLIUEMAM-CQSZACIVSA-N 1 1 254.333 3.005 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CCC1CC1 ZINC001231350580 818081973 /nfs/dbraw/zinc/08/19/73/818081973.db2.gz SQRWSACSRSZHQC-GOEBONIOSA-N 1 1 278.440 3.064 20 30 CGEDMO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1C#Cc1ccccc1 ZINC001231577391 818125742 /nfs/dbraw/zinc/12/57/42/818125742.db2.gz UISFUYXKYRWWRA-OXQOHEQNSA-N 1 1 291.394 3.042 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@](C)(CO)CC2)c1 ZINC001231620738 818137637 /nfs/dbraw/zinc/13/76/37/818137637.db2.gz AFQBFLOVSGLBNC-SFHVURJKSA-N 1 1 289.419 3.236 20 30 CGEDMO C=CCOc1cccc(C[N@H+](CC)C2CCN(C)CC2)c1 ZINC001231623606 818138613 /nfs/dbraw/zinc/13/86/13/818138613.db2.gz LSRMSIYIXGFYEL-UHFFFAOYSA-N 1 1 288.435 3.168 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCC[C@H]2c2cnccn2)c1 ZINC001231623774 818139294 /nfs/dbraw/zinc/13/92/94/818139294.db2.gz VMKIHZNCNBVKLE-SFHVURJKSA-N 1 1 295.386 3.379 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@H](OCCC)C2)c1 ZINC001231623761 818139321 /nfs/dbraw/zinc/13/93/21/818139321.db2.gz UUTLNOTZHPOVGD-KRWDZBQOSA-N 1 1 275.392 3.252 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CCC[C@@H]2c2nccs2)c1 ZINC001231662088 818151572 /nfs/dbraw/zinc/15/15/72/818151572.db2.gz DRTVWIBVCLDEBQ-OAHLLOKOSA-N 1 1 268.385 3.462 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CCC[C@@H]2c2nccs2)c1 ZINC001231662088 818151576 /nfs/dbraw/zinc/15/15/76/818151576.db2.gz DRTVWIBVCLDEBQ-OAHLLOKOSA-N 1 1 268.385 3.462 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@H+]2CC3CCC2CC3)cc1 ZINC001231819978 818184111 /nfs/dbraw/zinc/18/41/11/818184111.db2.gz JTJNQSWTLMRXHA-UHFFFAOYSA-N 1 1 283.419 3.411 20 30 CGEDMO COc1cccc2c(C[N@H+]3CCC[C@H](CC#N)C3)c[nH]c21 ZINC001231899985 818207526 /nfs/dbraw/zinc/20/75/26/818207526.db2.gz AZDXBOWDRGWPFH-CYBMUJFWSA-N 1 1 283.375 3.302 20 30 CGEDMO COc1cccc2[nH]cc(C[N@H+]3CCC[C@@H](C#N)CC3)c21 ZINC001232036277 818237442 /nfs/dbraw/zinc/23/74/42/818237442.db2.gz DAGBXBSPOUZVOC-CYBMUJFWSA-N 1 1 283.375 3.302 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cccc(C(F)(F)F)n1 ZINC001232072011 818246178 /nfs/dbraw/zinc/24/61/78/818246178.db2.gz WZNCVGKYBINKFZ-UHFFFAOYSA-N 1 1 258.287 3.498 20 30 CGEDMO O=C1C=C2C[N@@H+](Cc3nccc4ccccc43)CC[C@@H]2S1 ZINC001232249859 818294166 /nfs/dbraw/zinc/29/41/66/818294166.db2.gz UGZIWQMWMANEIS-INIZCTEOSA-N 1 1 296.395 3.009 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3nccc4ccccc43)CC[C@@H]2S1 ZINC001232249859 818294172 /nfs/dbraw/zinc/29/41/72/818294172.db2.gz UGZIWQMWMANEIS-INIZCTEOSA-N 1 1 296.395 3.009 20 30 CGEDMO C=CC[NH+]1CCN(Cc2cc(C)ccc2OC(C)C)CC1 ZINC001232398073 818340777 /nfs/dbraw/zinc/34/07/77/818340777.db2.gz YTLFYDJNWBHPSX-UHFFFAOYSA-N 1 1 288.435 3.086 20 30 CGEDMO Cc1c(F)cc(C[N@@H+]2CCC[C@H](C#N)CC2)cc1F ZINC001232424434 818345652 /nfs/dbraw/zinc/34/56/52/818345652.db2.gz MFJGMDFMRZGUHB-LBPRGKRZSA-N 1 1 264.319 3.399 20 30 CGEDMO Cc1c(F)cc(C[N@H+]2CCC[C@H](C#N)CC2)cc1F ZINC001232424434 818345657 /nfs/dbraw/zinc/34/56/57/818345657.db2.gz MFJGMDFMRZGUHB-LBPRGKRZSA-N 1 1 264.319 3.399 20 30 CGEDMO N#CCC1CC[NH+](Cc2ccc(C(F)(F)F)o2)CC1 ZINC001232444464 818350126 /nfs/dbraw/zinc/35/01/26/818350126.db2.gz UXZWFWZHYPFLJY-UHFFFAOYSA-N 1 1 272.270 3.424 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)Cc1cc(C#N)ccn1 ZINC001232477935 818365321 /nfs/dbraw/zinc/36/53/21/818365321.db2.gz DZLCYCNWWPKCCQ-UHFFFAOYSA-N 1 1 263.344 3.141 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cc(C#N)ccn1 ZINC001232477935 818365331 /nfs/dbraw/zinc/36/53/31/818365331.db2.gz DZLCYCNWWPKCCQ-UHFFFAOYSA-N 1 1 263.344 3.141 20 30 CGEDMO CNc1ccccc1C[N@H+](CCC#N)C1CCCC1 ZINC001232671699 818415122 /nfs/dbraw/zinc/41/51/22/818415122.db2.gz QKXWPXYQGAFXCW-UHFFFAOYSA-N 1 1 257.381 3.387 20 30 CGEDMO CNc1ccccc1C[N@@H+](CCC#N)C1CCCC1 ZINC001232671699 818415126 /nfs/dbraw/zinc/41/51/26/818415126.db2.gz QKXWPXYQGAFXCW-UHFFFAOYSA-N 1 1 257.381 3.387 20 30 CGEDMO CC[N@@H+](Cc1cccc(OC)c1)Cc1cc(C#N)ccc1[O-] ZINC001232678587 818416331 /nfs/dbraw/zinc/41/63/31/818416331.db2.gz IXOTVDUMTJRSKC-UHFFFAOYSA-N 1 1 296.370 3.295 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](Cc2cccc3ncsc32)C1 ZINC001232737730 818429302 /nfs/dbraw/zinc/42/93/02/818429302.db2.gz JEWQNYXDBRAGFI-AWEZNQCLSA-N 1 1 257.362 3.032 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](Cc2cccc3ncsc32)C1 ZINC001232737730 818429305 /nfs/dbraw/zinc/42/93/05/818429305.db2.gz JEWQNYXDBRAGFI-AWEZNQCLSA-N 1 1 257.362 3.032 20 30 CGEDMO Cc1cc(C[N@@H+]2CCC[C@H](C#N)CC2)c(F)cc1F ZINC001232783166 818437953 /nfs/dbraw/zinc/43/79/53/818437953.db2.gz SSLGBWATBHXUCI-LBPRGKRZSA-N 1 1 264.319 3.399 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@H](C#N)CC2)c(F)cc1F ZINC001232783166 818437955 /nfs/dbraw/zinc/43/79/55/818437955.db2.gz SSLGBWATBHXUCI-LBPRGKRZSA-N 1 1 264.319 3.399 20 30 CGEDMO N#Cc1ccc(C[NH+]2CCC(Oc3ccncc3)CC2)s1 ZINC001232844335 818454992 /nfs/dbraw/zinc/45/49/92/818454992.db2.gz LPDMJQWLQYAVEE-UHFFFAOYSA-N 1 1 299.399 3.058 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)c(C#N)c1 ZINC001232962934 818484474 /nfs/dbraw/zinc/48/44/74/818484474.db2.gz UWHOGBOPMHWWHK-LBPRGKRZSA-N 1 1 264.319 3.344 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)c(C#N)c1 ZINC001232962934 818484479 /nfs/dbraw/zinc/48/44/79/818484479.db2.gz UWHOGBOPMHWWHK-LBPRGKRZSA-N 1 1 264.319 3.344 20 30 CGEDMO Cc1ccc(C[N@H+](C)C[C@@H]2Cc3ccccc3O2)c(C#N)c1 ZINC001232968340 818485880 /nfs/dbraw/zinc/48/58/80/818485880.db2.gz HTEIDDHLYISAOC-SFHVURJKSA-N 1 1 292.382 3.302 20 30 CGEDMO Cc1ccc(C[N@@H+](C)C[C@@H]2Cc3ccccc3O2)c(C#N)c1 ZINC001232968340 818485883 /nfs/dbraw/zinc/48/58/83/818485883.db2.gz HTEIDDHLYISAOC-SFHVURJKSA-N 1 1 292.382 3.302 20 30 CGEDMO C[N@@H+](Cc1[nH]ccc1C#N)C12CC3CC(CC(C3)C1)C2 ZINC001233045708 818508010 /nfs/dbraw/zinc/50/80/10/818508010.db2.gz UMOJYTYQANUPGW-UHFFFAOYSA-N 1 1 269.392 3.287 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001233079690 818519096 /nfs/dbraw/zinc/51/90/96/818519096.db2.gz JJJCVRJTNXSXKB-GASCZTMLSA-N 1 1 276.330 3.344 20 30 CGEDMO CN(C)c1ccc(C[N@@H+](C)CC(C)(C)C)c(F)c1C#N ZINC001233101262 818521454 /nfs/dbraw/zinc/52/14/54/818521454.db2.gz UWZOPPZHLPYWDW-UHFFFAOYSA-N 1 1 277.387 3.241 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(/C=C/C(=O)OC)cc1 ZINC001233299104 818572548 /nfs/dbraw/zinc/57/25/48/818572548.db2.gz LHFCRJWEAMOFFG-ZHACJKMWSA-N 1 1 273.376 3.271 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3ccccn3)C2)c(O)c1 ZINC001233386003 818606599 /nfs/dbraw/zinc/60/65/99/818606599.db2.gz ATLFDOBLJQBRBA-OAHLLOKOSA-N 1 1 293.370 3.038 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3ccccn3)C2)c(O)c1 ZINC001233386003 818606603 /nfs/dbraw/zinc/60/66/03/818606603.db2.gz ATLFDOBLJQBRBA-OAHLLOKOSA-N 1 1 293.370 3.038 20 30 CGEDMO N#Cc1ccc(C[NH+]2CCCCCCCC2)c(O)c1 ZINC001233387267 818606676 /nfs/dbraw/zinc/60/66/76/818606676.db2.gz BZIGNNUUTKQQCJ-UHFFFAOYSA-N 1 1 258.365 3.420 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1O)Cc1ccccc1F ZINC001233386001 818607199 /nfs/dbraw/zinc/60/71/99/818607199.db2.gz ATHHAHJMWHCBKJ-UHFFFAOYSA-N 1 1 270.307 3.035 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1O)Cc1ccccc1F ZINC001233386001 818607204 /nfs/dbraw/zinc/60/72/04/818607204.db2.gz ATHHAHJMWHCBKJ-UHFFFAOYSA-N 1 1 270.307 3.035 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCc3c(Cl)cccc3C2)c([O-])c1 ZINC001233387102 818607386 /nfs/dbraw/zinc/60/73/86/818607386.db2.gz UZFXHWMLGAKTOC-UHFFFAOYSA-N 1 1 298.773 3.476 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1ccc(OC)c(O)c1Cl ZINC001233401334 818612367 /nfs/dbraw/zinc/61/23/67/818612367.db2.gz VVUQVENCFSAQFC-UHFFFAOYSA-N 1 1 269.772 3.452 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(OC)c(O)c1Cl ZINC001233401334 818612370 /nfs/dbraw/zinc/61/23/70/818612370.db2.gz VVUQVENCFSAQFC-UHFFFAOYSA-N 1 1 269.772 3.452 20 30 CGEDMO CC(C)(C)[NH+]1CC(Oc2cc(C#N)cc(C(F)(F)F)c2)C1 ZINC001233658238 818672156 /nfs/dbraw/zinc/67/21/56/818672156.db2.gz KBSFVTNEWLFOAF-UHFFFAOYSA-N 1 1 298.308 3.439 20 30 CGEDMO C[N@@H+]1CCC[C@@H](Oc2c(C#N)ccc(Cl)c2Cl)C1 ZINC001234426043 818853563 /nfs/dbraw/zinc/85/35/63/818853563.db2.gz YIOFUYOZLRBUNZ-SNVBAGLBSA-N 1 1 285.174 3.338 20 30 CGEDMO C[N@H+]1CCC[C@@H](Oc2c(C#N)ccc(Cl)c2Cl)C1 ZINC001234426043 818853569 /nfs/dbraw/zinc/85/35/69/818853569.db2.gz YIOFUYOZLRBUNZ-SNVBAGLBSA-N 1 1 285.174 3.338 20 30 CGEDMO C=CCC(CC=C)C(=O)N(C)C[C@H]1CC[N@@H+]1CCCCC ZINC001234510158 818870475 /nfs/dbraw/zinc/87/04/75/818870475.db2.gz VJQHFBWZYBPCNW-QGZVFWFLSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CC(C)(C)CC(=O)N(C)C[C@H]1CC[N@H+]1CCC(=C)C ZINC001234536034 818877378 /nfs/dbraw/zinc/87/73/78/818877378.db2.gz AZBDIWXPVMUZEF-OAHLLOKOSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1CCC1CCCC1 ZINC001234625296 818894759 /nfs/dbraw/zinc/89/47/59/818894759.db2.gz KKFSVZQUQRZOKG-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(Oc2cccnc2)cc1 ZINC001235124039 819012007 /nfs/dbraw/zinc/01/20/07/819012007.db2.gz ZVQZZLIIXHQTAS-UHFFFAOYSA-N 1 1 254.333 3.492 20 30 CGEDMO CCOc1cc(O)cc(C[N@H+](CCC#N)C2CCCC2)c1 ZINC001235397163 819083511 /nfs/dbraw/zinc/08/35/11/819083511.db2.gz CQXXTQXAVFDXHU-UHFFFAOYSA-N 1 1 288.391 3.449 20 30 CGEDMO CCOc1cc(O)cc(C[N@@H+](CCC#N)C2CCCC2)c1 ZINC001235397163 819083515 /nfs/dbraw/zinc/08/35/15/819083515.db2.gz CQXXTQXAVFDXHU-UHFFFAOYSA-N 1 1 288.391 3.449 20 30 CGEDMO C=CCCC(=O)NCCC[N@H+](C)Cc1cc(C)ccc1C ZINC001235451598 819102867 /nfs/dbraw/zinc/10/28/67/819102867.db2.gz MYLARYCWSLOGKV-UHFFFAOYSA-N 1 1 288.435 3.208 20 30 CGEDMO N#CCc1ccccc1C[N@H+]1CCOc2ccccc2C1 ZINC001235522418 819114610 /nfs/dbraw/zinc/11/46/10/819114610.db2.gz FTWFRUKVIWTCRL-UHFFFAOYSA-N 1 1 278.355 3.147 20 30 CGEDMO Cc1ccnc(C[N@@H+]2CCC[C@H](C#N)CC2)c1Cl ZINC001235585344 819123714 /nfs/dbraw/zinc/12/37/14/819123714.db2.gz MMSSQNUVTXNJKN-LBPRGKRZSA-N 1 1 263.772 3.169 20 30 CGEDMO Cc1ccnc(C[N@H+]2CCC[C@H](C#N)CC2)c1Cl ZINC001235585344 819123719 /nfs/dbraw/zinc/12/37/19/819123719.db2.gz MMSSQNUVTXNJKN-LBPRGKRZSA-N 1 1 263.772 3.169 20 30 CGEDMO N#Cc1cc(F)c(C[N@@H+]2CCC23CCCC3)c(F)c1 ZINC001235650099 819128926 /nfs/dbraw/zinc/12/89/26/819128926.db2.gz APKKZRXSLHRJQU-UHFFFAOYSA-N 1 1 262.303 3.355 20 30 CGEDMO N#Cc1cc(F)c(C[N@H+]2CCC23CCCC3)c(F)c1 ZINC001235650099 819128929 /nfs/dbraw/zinc/12/89/29/819128929.db2.gz APKKZRXSLHRJQU-UHFFFAOYSA-N 1 1 262.303 3.355 20 30 CGEDMO C=C(C)C[N@@H+](C)CCCNC(=O)CCCC(C)(C)C ZINC001235698129 819145198 /nfs/dbraw/zinc/14/51/98/819145198.db2.gz ILIDILLIYTWSDH-UHFFFAOYSA-N 1 1 268.445 3.217 20 30 CGEDMO C#CC[N@@H+](C[C@@H](N)c1ccccc1)[C@@H]1CCc2ccccc21 ZINC001235834913 819180879 /nfs/dbraw/zinc/18/08/79/819180879.db2.gz QDKLUGQGDGJRLW-WOJBJXKFSA-N 1 1 290.410 3.309 20 30 CGEDMO C#CC[N@H+](C[C@@H](N)c1ccccc1)[C@@H]1CCc2ccccc21 ZINC001235834913 819180880 /nfs/dbraw/zinc/18/08/80/819180880.db2.gz QDKLUGQGDGJRLW-WOJBJXKFSA-N 1 1 290.410 3.309 20 30 CGEDMO CCCCCCC/C=C/CN(C)C[C@H]1CC[NH2+]C1 ZINC001235842204 819183361 /nfs/dbraw/zinc/18/33/61/819183361.db2.gz MRJMACIPOQWIEG-SCOAYWHSSA-N 1 1 252.446 3.444 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCN[C@H](c3ccccc3)C2)cc1C#N ZINC001235855144 819186428 /nfs/dbraw/zinc/18/64/28/819186428.db2.gz SKRQGQORIRKFHW-IBGZPJMESA-N 1 1 291.398 3.013 20 30 CGEDMO Cc1ccc(C[N@H+]2CCN[C@H](c3ccccc3)C2)cc1C#N ZINC001235855144 819186431 /nfs/dbraw/zinc/18/64/31/819186431.db2.gz SKRQGQORIRKFHW-IBGZPJMESA-N 1 1 291.398 3.013 20 30 CGEDMO CCCCCCCCCC[N@@H+](C)C[C@H]1COCCN1 ZINC001236423002 819470310 /nfs/dbraw/zinc/47/03/10/819470310.db2.gz LRICCXQGPDZLKH-INIZCTEOSA-N 1 1 270.461 3.047 20 30 CGEDMO C=CC[NH+](CC=C)Cc1ccc(O)cc1OC(F)(F)F ZINC001236731448 819584284 /nfs/dbraw/zinc/58/42/84/819584284.db2.gz SLSVVZYLMLHONZ-UHFFFAOYSA-N 1 1 287.281 3.465 20 30 CGEDMO Cc1cc(F)cc(C)c1C[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001237323903 819726334 /nfs/dbraw/zinc/72/63/34/819726334.db2.gz RBAULVMPHFLXPB-OAHLLOKOSA-N 1 1 291.391 3.217 20 30 CGEDMO Cc1cc(F)cc(C)c1C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001237323903 819726337 /nfs/dbraw/zinc/72/63/37/819726337.db2.gz RBAULVMPHFLXPB-OAHLLOKOSA-N 1 1 291.391 3.217 20 30 CGEDMO Cn1cc(C[N@@H+](C)Cc2ccncc2)c2cc(C#N)ccc21 ZINC001237465365 819757115 /nfs/dbraw/zinc/75/71/15/819757115.db2.gz IFIPIGGZRQLWJW-UHFFFAOYSA-N 1 1 290.370 3.077 20 30 CGEDMO C=CC[N@H+](Cc1cc(OC)nc(OC)c1)C1CCCCC1 ZINC001237559316 819778402 /nfs/dbraw/zinc/77/84/02/819778402.db2.gz NICQKTVJYVRAQG-UHFFFAOYSA-N 1 1 290.407 3.420 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2cn3cc(C#N)ccc3n2)C[C@@H]1C ZINC001237608293 819784991 /nfs/dbraw/zinc/78/49/91/819784991.db2.gz FVHSFOZCRNBYNB-KGLIPLIRSA-N 1 1 282.391 3.074 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2cn3cc(C#N)ccc3n2)C[C@H]1C ZINC001237608298 819785960 /nfs/dbraw/zinc/78/59/60/819785960.db2.gz FVHSFOZCRNBYNB-UONOGXRCSA-N 1 1 282.391 3.074 20 30 CGEDMO CCC[N@@H+](CCOC)Cc1cc(Cl)cc(C#N)c1 ZINC001237746593 819833810 /nfs/dbraw/zinc/83/38/10/819833810.db2.gz OLXZITNGDYLFSV-UHFFFAOYSA-N 1 1 266.772 3.070 20 30 CGEDMO C#CC[NH+](CC#C)Cc1ccc(Br)cc1CC ZINC001237743736 819834358 /nfs/dbraw/zinc/83/43/58/819834358.db2.gz SKMHXTASRDNUCG-UHFFFAOYSA-N 1 1 290.204 3.080 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CCC[C@]1(C)O ZINC001238081916 819926944 /nfs/dbraw/zinc/92/69/44/819926944.db2.gz COJJMPSNDFXMTD-LRDDRELGSA-N 1 1 292.810 3.195 20 30 CGEDMO Cc1cc(C[NH+]2CC(CC#N)C2)cnc1-c1ccccc1 ZINC001238607858 820058382 /nfs/dbraw/zinc/05/83/82/820058382.db2.gz WDTUPBCXJRWRMP-UHFFFAOYSA-N 1 1 277.371 3.403 20 30 CGEDMO CCOc1cc(F)c(F)cc1C[NH+]1CCC(CC#N)CC1 ZINC001238652707 820068620 /nfs/dbraw/zinc/06/86/20/820068620.db2.gz JKJFJHUIEQZMTM-UHFFFAOYSA-N 1 1 294.345 3.489 20 30 CGEDMO CCc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)ccc1C#N ZINC001238779350 820116986 /nfs/dbraw/zinc/11/69/86/820116986.db2.gz VTTMBBLTNGNXMN-AWEZNQCLSA-N 1 1 267.376 3.246 20 30 CGEDMO C[N@H+]1CC[C@@H](c2ccc(-c3cnc(C#N)c(F)c3)cc2)C1 ZINC001238996082 820188027 /nfs/dbraw/zinc/18/80/27/820188027.db2.gz UEGDJZZEUKBAHP-CQSZACIVSA-N 1 1 281.334 3.178 20 30 CGEDMO Cc1cc(-c2ccc(C[NH+]3CC(O)C3)cc2)cc(C)c1C#N ZINC001243638106 823472643 /nfs/dbraw/zinc/47/26/43/823472643.db2.gz JJLGKHYYZIGSNL-UHFFFAOYSA-N 1 1 292.382 3.019 20 30 CGEDMO Cn1ccc2c1cc[nH+]c2-c1ccc(C#N)c(F)c1 ZINC001240142764 820848890 /nfs/dbraw/zinc/84/88/90/820848890.db2.gz FZPBEOMSMMTBCF-UHFFFAOYSA-N 1 1 251.264 3.251 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1-c1ccc(CC#N)c(C#N)c1 ZINC001241243056 821665097 /nfs/dbraw/zinc/66/50/97/821665097.db2.gz NWVCKBRKRIPNDE-UHFFFAOYSA-N 1 1 276.343 3.061 20 30 CGEDMO C[N@H+]1CCC=C(c2ccc3cc(C#N)c(C#N)cc3c2)C1 ZINC001241571383 821958296 /nfs/dbraw/zinc/95/82/96/821958296.db2.gz ZNBDLQOQUULQLE-UHFFFAOYSA-N 1 1 273.339 3.302 20 30 CGEDMO C[N@H+]1CCc2ccc(-c3cc(F)cc(C#N)c3)cc2C1 ZINC001241661282 822037559 /nfs/dbraw/zinc/03/75/59/822037559.db2.gz WPBLAKOYNWAEEX-UHFFFAOYSA-N 1 1 266.319 3.352 20 30 CGEDMO C#CC[N@H+](Cc1ccc2cnccc2c1)CC1CC1 ZINC001339392155 936370778 /nfs/dbraw/zinc/37/07/78/936370778.db2.gz FYQBQSJTSWHHLK-UHFFFAOYSA-N 1 1 250.345 3.080 20 30 CGEDMO Cc1nnc([C@@H](C)[NH2+]Cc2c(C)cc(C#N)cc2C)s1 ZINC001341092935 936427511 /nfs/dbraw/zinc/42/75/11/936427511.db2.gz JBCPSXZFPWPQQM-LLVKDONJSA-N 1 1 286.404 3.186 20 30 CGEDMO C=CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccsc1 ZINC001479240578 936462005 /nfs/dbraw/zinc/46/20/05/936462005.db2.gz HWLKHIULUMGKAJ-OAHLLOKOSA-N 1 1 292.448 3.137 20 30 CGEDMO C=CCCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1ccsc1 ZINC001479240578 936462006 /nfs/dbraw/zinc/46/20/06/936462006.db2.gz HWLKHIULUMGKAJ-OAHLLOKOSA-N 1 1 292.448 3.137 20 30 CGEDMO Cc1cc(OCc2cn3ccccc3c2C#N)cc[nH+]1 ZINC001343483030 936503144 /nfs/dbraw/zinc/50/31/44/936503144.db2.gz JYRMKIUSMMIJOF-UHFFFAOYSA-N 1 1 263.300 3.093 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCCNC(=O)[C@@H]1CC2CCC1CC2 ZINC001479816584 936536961 /nfs/dbraw/zinc/53/69/61/936536961.db2.gz VRNNVZJZCNRURK-OFLPRAFFSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C[C@H](COC)[NH2+][C@@H](C)c1cc(-c2ccccc2)no1 ZINC001350967143 937004414 /nfs/dbraw/zinc/00/44/14/937004414.db2.gz WWCQSBSWTWWQGU-GXTWGEPZSA-N 1 1 272.348 3.193 20 30 CGEDMO CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)C[C@@H](C)CCC)C1 ZINC001480073740 937005991 /nfs/dbraw/zinc/00/59/91/937005991.db2.gz VXTAERLKGHBWLT-DLBZAZTESA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1ccc([S@@](C)=O)cc1 ZINC001352110749 937036767 /nfs/dbraw/zinc/03/67/67/937036767.db2.gz DUEIQYDXKYREHC-GOSISDBHSA-N 1 1 265.422 3.212 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C(CC)CC)C1 ZINC001480377088 937047968 /nfs/dbraw/zinc/04/79/68/937047968.db2.gz RREWDZUDOPYBGZ-ZBFHGGJFSA-N 1 1 280.456 3.215 20 30 CGEDMO COc1ccc2[nH]c3c(c2c1)CC[N@H+](C[C@H](C)CCC#N)C3 ZINC001353605095 937072295 /nfs/dbraw/zinc/07/22/95/937072295.db2.gz QFBGCFUDZYACLH-CYBMUJFWSA-N 1 1 297.402 3.474 20 30 CGEDMO COc1ccc2[nH]c3c(c2c1)CC[N@@H+](C[C@H](C)CCC#N)C3 ZINC001353605095 937072296 /nfs/dbraw/zinc/07/22/96/937072296.db2.gz QFBGCFUDZYACLH-CYBMUJFWSA-N 1 1 297.402 3.474 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](F)c1ccccc1 ZINC001480916862 926786249 /nfs/dbraw/zinc/78/62/49/926786249.db2.gz AXTJTWOUNAAGPZ-ZBFHGGJFSA-N 1 1 292.398 3.100 20 30 CGEDMO C=CCCC[N@H+](CC)CCNC(=O)C(C)=C1CCCC1 ZINC001480970641 926848736 /nfs/dbraw/zinc/84/87/36/926848736.db2.gz XLVJSBMDXZFQDT-UHFFFAOYSA-N 1 1 278.440 3.281 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1CCC[N@@H+]1CC1CC(C)C1 ZINC001481042238 926870342 /nfs/dbraw/zinc/87/03/42/926870342.db2.gz PLRMOXCDEZOOCZ-GPANFISMSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)c1ccc(C)cc1Cl ZINC001481147045 926895942 /nfs/dbraw/zinc/89/59/42/926895942.db2.gz NYDWJUFXXZUSIJ-UHFFFAOYSA-N 1 1 294.826 3.276 20 30 CGEDMO C=CCCC(=O)N(CCC)[C@@H]1CC[N@H+](CCCC)C1 ZINC001481398708 926977794 /nfs/dbraw/zinc/97/77/94/926977794.db2.gz XQOIGEXOCALLJF-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)CCC2CCC2)C1 ZINC001481482249 926998105 /nfs/dbraw/zinc/99/81/05/926998105.db2.gz OHAMZZIEIDXBRL-OAHLLOKOSA-N 1 1 298.858 3.100 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)CC1CCN(C(=O)CCC)CC1 ZINC001481508612 927008077 /nfs/dbraw/zinc/00/80/77/927008077.db2.gz FWGOCYNHMCUKPC-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)C(CC)CC)C1 ZINC001481523218 927013321 /nfs/dbraw/zinc/01/33/21/927013321.db2.gz YIRWRJNKNISMRR-GOEBONIOSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2cc(C)oc2C)C1 ZINC001481684804 927054875 /nfs/dbraw/zinc/05/48/75/927054875.db2.gz JOGBTSNREDABPY-DOMZBBRYSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)c2sccc2F)C1 ZINC001481688061 927057166 /nfs/dbraw/zinc/05/71/66/927057166.db2.gz GASXQDKIMLJHPJ-RYUDHWBXSA-N 1 1 296.411 3.046 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)CC2CC2)C1 ZINC001481711518 927069490 /nfs/dbraw/zinc/06/94/90/927069490.db2.gz JUAFXBGCUMCEPP-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC(CC=C)C(=O)N(C)[C@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001481725736 927075191 /nfs/dbraw/zinc/07/51/91/927075191.db2.gz AIKWASDWKLVBBN-KRWDZBQOSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)/C=C(\C)CC)C1 ZINC001481766826 927084649 /nfs/dbraw/zinc/08/46/49/927084649.db2.gz QPHLWAYYAXJDHH-TZIYXEQSSA-N 1 1 284.831 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)/C=C(\C)CC)C1 ZINC001481766826 927084663 /nfs/dbraw/zinc/08/46/63/927084663.db2.gz QPHLWAYYAXJDHH-TZIYXEQSSA-N 1 1 284.831 3.018 20 30 CGEDMO C=CCCC(=O)N1CCC(CC[N@H+](C)CC(C)C)CC1 ZINC001482502874 927271142 /nfs/dbraw/zinc/27/11/42/927271142.db2.gz VTWWNAMKSBLABI-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N(C)CC[N@@H+](C)CC1CC(C)(C)C1 ZINC001482625472 927329725 /nfs/dbraw/zinc/32/97/25/927329725.db2.gz WUITYIWBFSMOAV-GOSISDBHSA-N 1 1 294.483 3.415 20 30 CGEDMO CC(=O)Nc1cc(Nc2ccc(C#N)cc2Cl)cc[nH+]1 ZINC001213991587 927449400 /nfs/dbraw/zinc/44/94/00/927449400.db2.gz JVYOGUJAGSFPTB-UHFFFAOYSA-N 1 1 286.722 3.309 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)c1cccc(Cl)c1C ZINC001483340876 927486019 /nfs/dbraw/zinc/48/60/19/927486019.db2.gz FABCNFPDNWCFEO-LBPRGKRZSA-N 1 1 294.826 3.275 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@H](C)C[N@@H+](C)CCC(C)(C)C ZINC001483374113 927491051 /nfs/dbraw/zinc/49/10/51/927491051.db2.gz JTCHLCBPIQDUFK-CABCVRRESA-N 1 1 282.472 3.461 20 30 CGEDMO C=CC[C@H](C)[N@@H+](CC)Cc1ccc(OC)cc1OC ZINC001307433304 927531235 /nfs/dbraw/zinc/53/12/35/927531235.db2.gz HQVCYSNOQGDTAC-ZDUSSCGKSA-N 1 1 263.381 3.490 20 30 CGEDMO C=CCCCC(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1C ZINC001483675569 927566732 /nfs/dbraw/zinc/56/67/32/927566732.db2.gz FSCCJKZOYXFWCL-QGZVFWFLSA-N 1 1 286.419 3.042 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]1CNC(=O)C1CC2(CC2)C1 ZINC001483678883 927569362 /nfs/dbraw/zinc/56/93/62/927569362.db2.gz CYFXMYBDCSKWBZ-MRXNPFEDSA-N 1 1 292.467 3.338 20 30 CGEDMO C=CCCC[NH+]1CC(N(C)C(=O)c2sccc2Cl)C1 ZINC001483866077 927638218 /nfs/dbraw/zinc/63/82/18/927638218.db2.gz XMTRBLACQUFVSU-UHFFFAOYSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)c2cc(C)co2)C1 ZINC001484058454 927670041 /nfs/dbraw/zinc/67/00/41/927670041.db2.gz VTHYTEWVSPDSGZ-RHSMWYFYSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)CC=C ZINC001484464799 927710540 /nfs/dbraw/zinc/71/05/40/927710540.db2.gz OSYIBJPPGIVAJJ-HOTGVXAUSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)/C(C)=C\CC)CC1 ZINC001484708249 927742568 /nfs/dbraw/zinc/74/25/68/927742568.db2.gz OHTPBDOTSCUCOQ-UJPCXNRSSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)c1ccc(C)s1 ZINC001484731901 927745775 /nfs/dbraw/zinc/74/57/75/927745775.db2.gz UPSGCERXJODOBG-UHFFFAOYSA-N 1 1 280.437 3.027 20 30 CGEDMO CC#CCCCC(=O)N[C@@H]1CC[N@H+](CCCC)CC1(C)C ZINC001484938254 927774775 /nfs/dbraw/zinc/77/47/75/927774775.db2.gz XQVFVIDGFLAFNG-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C(CC)CC)C(C)(C)C1 ZINC001484935890 927775345 /nfs/dbraw/zinc/77/53/45/927775345.db2.gz BMISWAZJTVARIP-ZBFHGGJFSA-N 1 1 294.483 3.461 20 30 CGEDMO C#CCCCCC(=O)N[C@@H]1CC[N@@H+](CC=C(C)C)[C@H](C)C1 ZINC001484974303 927779642 /nfs/dbraw/zinc/77/96/42/927779642.db2.gz RQTDTUNLEKBNTC-IAGOWNOFSA-N 1 1 290.451 3.115 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)CCC2(C)CC2)C[C@@H]1C ZINC001484982091 927781492 /nfs/dbraw/zinc/78/14/92/927781492.db2.gz QENSODIRSNJPJG-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)C1(CC(C)C)CCC1 ZINC001485064478 927794569 /nfs/dbraw/zinc/79/45/69/927794569.db2.gz GTNXHUDBUUPYTL-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C1(CC)CCC1 ZINC001485065091 927796777 /nfs/dbraw/zinc/79/67/77/927796777.db2.gz FVFPHYDMYOZIAE-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO CC#CCCCC(=O)N1CCC[C@H]1C[N@H+](C)CCCCC ZINC001485065913 927800393 /nfs/dbraw/zinc/80/03/93/927800393.db2.gz QMFJBNSGBXYICN-KRWDZBQOSA-N 1 1 292.467 3.293 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](CC)CCC ZINC001485073656 927804392 /nfs/dbraw/zinc/80/43/92/927804392.db2.gz UPBHHQCEPUMWLN-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CCNC(=O)C2C(C)(C)C2(C)C)C1 ZINC001494002381 927892308 /nfs/dbraw/zinc/89/23/08/927892308.db2.gz DTMFPPFNSQHALJ-AWEZNQCLSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC(C)C)C[C@H]2C1 ZINC001485654413 927895759 /nfs/dbraw/zinc/89/57/59/927895759.db2.gz AZMHDOVBAVORCD-BZUAXINKSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C/C(C)=C/CC(=O)NCC[C@@H]1CC[N@H+](CCC(=C)C)C1 ZINC001494050226 927904439 /nfs/dbraw/zinc/90/44/39/927904439.db2.gz PQFLGNXKMPADAU-UMNNMYMZSA-N 1 1 290.451 3.303 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)CCOc1ccc(Cl)c(F)c1 ZINC001307678712 927938067 /nfs/dbraw/zinc/93/80/67/927938067.db2.gz FUWBQBHFZBYCMM-UHFFFAOYSA-N 1 1 269.747 3.202 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3CC)CCC[C@@H]12 ZINC001486144145 927990226 /nfs/dbraw/zinc/99/02/26/927990226.db2.gz GAVBPJOCFBRDDG-KONPQCLYSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C(C)C)[C@@H]1C ZINC001486173927 927994722 /nfs/dbraw/zinc/99/47/22/927994722.db2.gz OLXYWUVEGYLRPR-GJZGRUSLSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)CCC3(C)CC3)CCC[C@H]12 ZINC001486161322 927994896 /nfs/dbraw/zinc/99/48/96/927994896.db2.gz TXRUMFMFFQZSBQ-YJBOKZPZSA-N 1 1 290.451 3.256 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C(=O)[C@@H](C)C1CC1)C(C)C ZINC001486364464 928009951 /nfs/dbraw/zinc/00/99/51/928009951.db2.gz SRXYDQQOJLTLAM-HNNXBMFYSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC[N@H+](CC)CCC(=O)OCc1ccccc1 ZINC001560204260 937211923 /nfs/dbraw/zinc/21/19/23/937211923.db2.gz DORNGWMYBKAXNB-UHFFFAOYSA-N 1 1 275.392 3.408 20 30 CGEDMO CCCCCCCCCC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000144365308 928079528 /nfs/dbraw/zinc/07/95/28/928079528.db2.gz CRSRCNYLPQJRFA-OAHLLOKOSA-N 1 1 280.456 3.480 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)CC(C)(C)CC ZINC001493109280 928175852 /nfs/dbraw/zinc/17/58/52/928175852.db2.gz UHOWMNLWKVKUHY-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO COC[C@@]12CCC[C@@H]1C[N@H+](C1CCC(CC#N)CC1)C2 ZINC001173332961 928229060 /nfs/dbraw/zinc/22/90/60/928229060.db2.gz IQYVJLRHRMGNEE-MYBQVCMBSA-N 1 1 276.424 3.207 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC[N@H+](CC=C(C)C)C1CC1 ZINC001317553820 928277508 /nfs/dbraw/zinc/27/75/08/928277508.db2.gz DNTYLFUYQKCCQW-UHFFFAOYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC1(C)C ZINC001488649177 928289186 /nfs/dbraw/zinc/28/91/86/928289186.db2.gz XQDPXVDMOPHVRT-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)CCCCC ZINC001488691972 928291260 /nfs/dbraw/zinc/29/12/60/928291260.db2.gz LHIWKOKXTBUWAL-MRXNPFEDSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC1(C(=O)N(C)C[C@@H]2CC[N@@H+]2C(C)C)CCCCC1 ZINC001488690463 928292739 /nfs/dbraw/zinc/29/27/39/928292739.db2.gz DYTWTHYVPFZQMW-INIZCTEOSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@H+](CCCC)[C@@H]1CC ZINC001489133020 928315514 /nfs/dbraw/zinc/31/55/14/928315514.db2.gz OICFSILDIBOQDP-ZMSDIMECSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@H]([N@H+](C)C[C@@H](C)CC)C1 ZINC001480731487 937236385 /nfs/dbraw/zinc/23/63/85/937236385.db2.gz VTCQFIANKKHVBX-GJZGRUSLSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)CCCNC(=O)[C@@H]1CCCC12CC2 ZINC001490331218 928349242 /nfs/dbraw/zinc/34/92/42/928349242.db2.gz KXWIUPITUXHZQH-AWEZNQCLSA-N 1 1 298.858 3.147 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)[C@]1(C)CCC[C@@H]1C)C1CC1 ZINC001490385086 928350315 /nfs/dbraw/zinc/35/03/15/928350315.db2.gz FWBYOPLHDJHURC-MAUKXSAKSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001490557628 928373304 /nfs/dbraw/zinc/37/33/04/928373304.db2.gz VEAVDQUAPGSALS-LTIDMASMSA-N 1 1 292.467 3.193 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001490570231 928375838 /nfs/dbraw/zinc/37/58/38/928375838.db2.gz KGVOPLAUQCQAQO-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN(C(=O)C2(C)CCC2)C1 ZINC001490767867 928387208 /nfs/dbraw/zinc/38/72/08/928387208.db2.gz GGFNDCOQUAWWEK-AWEZNQCLSA-N 1 1 298.858 3.100 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H](C[N@H+](C)[C@@H](C)CCC=C)C1 ZINC001490754032 928388464 /nfs/dbraw/zinc/38/84/64/928388464.db2.gz UOPLHFXQQVERMX-DLBZAZTESA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC[N@@H+](C)CCNC(=O)CC1CCC(C)(C)CC1 ZINC001492894187 937242845 /nfs/dbraw/zinc/24/28/45/937242845.db2.gz DCRNIVPRIJJWDF-UHFFFAOYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCC[NH+]1CC(NC(=O)[C@@H](C)[C@@H](C)C(C)(C)C)C1 ZINC001318069747 928421347 /nfs/dbraw/zinc/42/13/47/928421347.db2.gz MYBCXUBNTWKEIJ-UONOGXRCSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H](NC(=O)C2=CCCCCC2)C1 ZINC001318248543 928432519 /nfs/dbraw/zinc/43/25/19/928432519.db2.gz UYCIAAAIDCEDKY-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2c(F)cccc2CC)C1 ZINC001321033911 928499913 /nfs/dbraw/zinc/49/99/13/928499913.db2.gz YZCQJMRSMQXUFY-CQSZACIVSA-N 1 1 263.356 3.165 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@H]1CCC[N@@H+](CC(=C)Cl)CC1 ZINC001327148279 928621815 /nfs/dbraw/zinc/62/18/15/928621815.db2.gz SATFAIDHLKTBCZ-GJZGRUSLSA-N 1 1 298.858 3.312 20 30 CGEDMO CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)C(CC)CC ZINC001491213874 928843665 /nfs/dbraw/zinc/84/36/65/928843665.db2.gz LACQHTCUCADWBL-NVXWUHKLSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)=C2CCC2)C1 ZINC001491289285 928853252 /nfs/dbraw/zinc/85/32/52/928853252.db2.gz ZOYJBAPNGJONIG-NVXWUHKLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC1(CC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CCCCC1 ZINC001445778257 937359141 /nfs/dbraw/zinc/35/91/41/937359141.db2.gz CGIUGOZKBVGDTH-HOCLYGCPSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1F)CC12CC(C)(C1)OC2 ZINC001459347899 937486021 /nfs/dbraw/zinc/48/60/21/937486021.db2.gz OXQJCXHLYXUTPM-UHFFFAOYSA-N 1 1 275.367 3.383 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(C#N)ccn1 ZINC001459387872 937486868 /nfs/dbraw/zinc/48/68/68/937486868.db2.gz GAJOTAZIIWGSKL-UHFFFAOYSA-N 1 1 290.370 3.236 20 30 CGEDMO C#CCOCC[N@H+](C)Cc1ccccc1-c1ccccc1 ZINC001459406681 937487401 /nfs/dbraw/zinc/48/74/01/937487401.db2.gz OWFKIROQTADTQG-UHFFFAOYSA-N 1 1 279.383 3.435 20 30 CGEDMO N#CC[N@H+](C[C@@H]1CCCC12CCOCC2)C1CCCC1 ZINC001459524922 937490255 /nfs/dbraw/zinc/49/02/55/937490255.db2.gz YWYWQJOYYQJPHG-HNNXBMFYSA-N 1 1 276.424 3.351 20 30 CGEDMO N#CC[N@@H+](C[C@@H]1CCCC12CCOCC2)C1CCCC1 ZINC001459524922 937490258 /nfs/dbraw/zinc/49/02/58/937490258.db2.gz YWYWQJOYYQJPHG-HNNXBMFYSA-N 1 1 276.424 3.351 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2C[C@@H](C)C[C@@H]2CC)cc1 ZINC001459634250 937494799 /nfs/dbraw/zinc/49/47/99/937494799.db2.gz DWRCGLJQWJQKGX-YOEHRIQHSA-N 1 1 284.403 3.117 20 30 CGEDMO C#CCOCC[N@H+]1CCC[C@@H]1CCC1CCCCC1 ZINC001459771217 937499643 /nfs/dbraw/zinc/49/96/43/937499643.db2.gz WCIRMYSVKVKALH-QGZVFWFLSA-N 1 1 263.425 3.461 20 30 CGEDMO C=CC[C@@H](C)[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001460046099 937512993 /nfs/dbraw/zinc/51/29/93/937512993.db2.gz KJUPEIGHSAOXDJ-NXHRZFHOSA-N 1 1 270.420 3.015 20 30 CGEDMO C#CC[N@H+](CCc1ccccc1Br)C1CC1 ZINC001460118268 937516292 /nfs/dbraw/zinc/51/62/92/937516292.db2.gz JOMQHRRFIVZINZ-UHFFFAOYSA-N 1 1 278.193 3.089 20 30 CGEDMO CC#CC[N@@H+](C)CC1(O)CCC(c2ccccc2)CC1 ZINC001460175726 937519612 /nfs/dbraw/zinc/51/96/12/937519612.db2.gz DOKFYPNJGXIWOF-UHFFFAOYSA-N 1 1 271.404 3.030 20 30 CGEDMO CCCCCCCC[N@@H+](C[C@H]1CCC(=O)N1)C(C)C ZINC001460258502 937522669 /nfs/dbraw/zinc/52/26/69/937522669.db2.gz MRQHEBIFUWSXHH-OAHLLOKOSA-N 1 1 268.445 3.336 20 30 CGEDMO N#Cc1cccc([C@H](O)C[N@H+]2CC[C@@H](C3CCCCC3)C2)c1 ZINC001460369159 937529154 /nfs/dbraw/zinc/52/91/54/937529154.db2.gz RTWHCLRGEOXOIC-RTBURBONSA-N 1 1 298.430 3.494 20 30 CGEDMO C#CC[N@@H+](C[C@H]1CCCOC1)[C@H]1CCCc2ccccc21 ZINC001460835174 937548431 /nfs/dbraw/zinc/54/84/31/937548431.db2.gz JICXNYIRZRYDAH-APWZRJJASA-N 1 1 283.415 3.426 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001460885220 937550198 /nfs/dbraw/zinc/55/01/98/937550198.db2.gz BGHYWOSSOUMBPZ-ZBFHGGJFSA-N 1 1 290.363 3.059 20 30 CGEDMO CC(C)O[C@H]1CC[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140115519 931955648 /nfs/dbraw/zinc/95/56/48/931955648.db2.gz DXPYIZXYYLRBAT-HNNXBMFYSA-N 1 1 283.375 3.039 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)[C@H](C)C1 ZINC001140117859 931955840 /nfs/dbraw/zinc/95/58/40/931955840.db2.gz AFJGGGHAGDDMMR-IUODEOHRSA-N 1 1 283.375 3.039 20 30 CGEDMO CC(C)[N@@H+](Cc1c[nH]c2ccc(C#N)cc12)C1CCOCC1 ZINC001140117481 931956156 /nfs/dbraw/zinc/95/61/56/931956156.db2.gz RZHLEAAEFHBQKB-UHFFFAOYSA-N 1 1 297.402 3.429 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)c(F)c1 ZINC001140136401 931957037 /nfs/dbraw/zinc/95/70/37/931957037.db2.gz YWXPUSIGYDZCKM-KGLIPLIRSA-N 1 1 258.340 3.319 20 30 CGEDMO CCO[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2Cl)C1 ZINC001140601525 931958809 /nfs/dbraw/zinc/95/88/09/931958809.db2.gz RWJODJSYZGPCSZ-AWEZNQCLSA-N 1 1 278.783 3.213 20 30 CGEDMO CCO[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Cl)C1 ZINC001140601525 931958812 /nfs/dbraw/zinc/95/88/12/931958812.db2.gz RWJODJSYZGPCSZ-AWEZNQCLSA-N 1 1 278.783 3.213 20 30 CGEDMO N#Cc1ccc(Cl)c(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1 ZINC001140602189 931959019 /nfs/dbraw/zinc/95/90/19/931959019.db2.gz GKIJGVASJKJRKZ-XMQYKBBCSA-N 1 1 285.778 3.478 20 30 CGEDMO N#Cc1ccc(Cl)c(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1 ZINC001140602189 931959025 /nfs/dbraw/zinc/95/90/25/931959025.db2.gz GKIJGVASJKJRKZ-XMQYKBBCSA-N 1 1 285.778 3.478 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1ccccc1OC(F)F ZINC001460907995 937552466 /nfs/dbraw/zinc/55/24/66/937552466.db2.gz QBYNFBMVIUWHGI-GFCCVEGCSA-N 1 1 253.292 3.438 20 30 CGEDMO C=CCOC(=O)[C@@H](Nc1cc2[nH]ccc2c[nH+]1)[C@@H](C)CC ZINC001157181810 931979721 /nfs/dbraw/zinc/97/97/21/931979721.db2.gz DPLKONNGCFSICB-NHYWBVRUSA-N 1 1 287.363 3.119 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C1CC2(CC2)C1 ZINC001158460889 931980895 /nfs/dbraw/zinc/98/08/95/931980895.db2.gz BCBSBYTUZUNJTD-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC=CCCC1 ZINC001329473646 932002925 /nfs/dbraw/zinc/00/29/25/932002925.db2.gz BEMSLMVTIXGXIU-HOTGVXAUSA-N 1 1 278.440 3.136 20 30 CGEDMO COc1cccc(C[N@@H+](C)Cc2cc(F)cc(C#N)c2)c1 ZINC000163559874 932003407 /nfs/dbraw/zinc/00/34/07/932003407.db2.gz NOJMQAQUNVKPEF-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO C=CCCC[N@@H+]1CCO[C@@H](c2ccc(OC)c(OC)c2)C1 ZINC001460950919 937555781 /nfs/dbraw/zinc/55/57/81/937555781.db2.gz WYVLZPMGRLNUNC-QGZVFWFLSA-N 1 1 291.391 3.043 20 30 CGEDMO C=CCCC[N@H+]1CCO[C@@H](c2ccc(OC)c(OC)c2)C1 ZINC001460950919 937555783 /nfs/dbraw/zinc/55/57/83/937555783.db2.gz WYVLZPMGRLNUNC-QGZVFWFLSA-N 1 1 291.391 3.043 20 30 CGEDMO N#CC[C@@H](Oc1ccc2[nH+]c(N)[nH]c2c1)c1ccccc1 ZINC001230517128 932582206 /nfs/dbraw/zinc/58/22/06/932582206.db2.gz WJOLCHGZEBEJOA-OAHLLOKOSA-N 1 1 278.315 3.179 20 30 CGEDMO C=CCCC(=O)N1CCC([C@H]2CCC[N@@H+]2CCCC)CC1 ZINC001230537218 932584929 /nfs/dbraw/zinc/58/49/29/932584929.db2.gz DEIKYJSPWGXQJU-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccco1 ZINC001230588456 932595699 /nfs/dbraw/zinc/59/56/99/932595699.db2.gz PQZUMIWTKYAYKY-OAHLLOKOSA-N 1 1 290.407 3.172 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)CC ZINC001230809529 932625672 /nfs/dbraw/zinc/62/56/72/932625672.db2.gz GESMLSCYNXNVMK-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)/C(C)=C\CC ZINC001231004672 932656010 /nfs/dbraw/zinc/65/60/10/932656010.db2.gz MQIZUSAOFQFYJI-KCKALFRLSA-N 1 1 278.440 3.230 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)Cc1cc(F)cc(OC)c1 ZINC001462213568 937625523 /nfs/dbraw/zinc/62/55/23/937625523.db2.gz BQYUBJFVFUOKHS-UHFFFAOYSA-N 1 1 283.346 3.470 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1cc(F)cc(OC)c1 ZINC001462213568 937625525 /nfs/dbraw/zinc/62/55/25/937625525.db2.gz BQYUBJFVFUOKHS-UHFFFAOYSA-N 1 1 283.346 3.470 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)CC1(C)CCCCC1 ZINC001316600233 932743607 /nfs/dbraw/zinc/74/36/07/932743607.db2.gz IPESWZYQQHGJJF-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C[C@@H](C)CCCCC ZINC001316603800 932746873 /nfs/dbraw/zinc/74/68/73/932746873.db2.gz RALIBGWDUCZDJA-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H](C)CCCCC ZINC001316603800 932746880 /nfs/dbraw/zinc/74/68/80/932746880.db2.gz RALIBGWDUCZDJA-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[C@H]([NH2+][C@@H](CC)[C@H]1CC1(C)C)C(=O)OCC ZINC001462249222 937627681 /nfs/dbraw/zinc/62/76/81/937627681.db2.gz ODGJLKXNJIVMBP-RDBSUJKOSA-N 1 1 267.413 3.299 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)/C=C(/C)CC)C1 ZINC001491924707 932798248 /nfs/dbraw/zinc/79/82/48/932798248.db2.gz IBSUNJFGYHPCCP-IRVMHKCDSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]([N@H+](C)CCCCC)C1 ZINC001491928059 932799097 /nfs/dbraw/zinc/79/90/97/932799097.db2.gz BQNHTYLHGVBDNK-MRXNPFEDSA-N 1 1 280.456 3.456 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1CCCNC(=O)C1(C)CCC1 ZINC001492165941 932808871 /nfs/dbraw/zinc/80/88/71/932808871.db2.gz DGGCXECYCBIUMR-AWEZNQCLSA-N 1 1 298.858 3.290 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[N@H+](C)CCC1CCCCC1 ZINC001492373124 932816075 /nfs/dbraw/zinc/81/60/75/932816075.db2.gz DEJJKBGUNMMPHI-UHFFFAOYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC1(C(=O)N2CCC[C@H]([N@H+](C)CC)C2)CCCC1 ZINC001317386105 932862084 /nfs/dbraw/zinc/86/20/84/932862084.db2.gz XAUXWHDEERNARQ-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc(F)cc(OCC)c2)C1 ZINC001462369305 937636329 /nfs/dbraw/zinc/63/63/29/937636329.db2.gz SUYNFXQAKCDMMU-CQSZACIVSA-N 1 1 275.367 3.460 20 30 CGEDMO C[N@H+]1CCC[C@H]1CSc1c(Cl)cccc1C#N ZINC001307390127 932946662 /nfs/dbraw/zinc/94/66/62/932946662.db2.gz MRDBFFIYFJMJFZ-NSHDSACASA-N 1 1 266.797 3.398 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H](NC(=O)OCC)C1 ZINC001307415885 932949033 /nfs/dbraw/zinc/94/90/33/932949033.db2.gz ULXHJJIBCVLNNX-AWEZNQCLSA-N 1 1 270.417 3.167 20 30 CGEDMO C#CC[N@H+](C[C@@H](O)CCC(C)C)C1CCCCC1 ZINC001307445314 932953212 /nfs/dbraw/zinc/95/32/12/932953212.db2.gz YZRYPZMFUGHDKM-INIZCTEOSA-N 1 1 251.414 3.051 20 30 CGEDMO CCCCCCCCC[N@H+]1CCCC[C@H]1C(=O)NC ZINC001307584386 932973720 /nfs/dbraw/zinc/97/37/20/932973720.db2.gz YCTAMKLGJJIIES-HNNXBMFYSA-N 1 1 268.445 3.338 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001307663720 932981766 /nfs/dbraw/zinc/98/17/66/932981766.db2.gz NOTBVBRAJLKFHC-PBHICJAKSA-N 1 1 294.439 3.284 20 30 CGEDMO COCC#CC[N@H+]1CC[C@H](Cc2ccc(C(C)C)cc2)C1 ZINC001307655043 932982287 /nfs/dbraw/zinc/98/22/87/932982287.db2.gz JNXGMSPPNGDTMP-GOSISDBHSA-N 1 1 285.431 3.324 20 30 CGEDMO N#Cc1cnccc1C[N@@H+]1CCC=C(c2ccccc2)C1 ZINC001307758835 932997167 /nfs/dbraw/zinc/99/71/67/932997167.db2.gz VAQXVLCPEUCGQT-UHFFFAOYSA-N 1 1 275.355 3.243 20 30 CGEDMO N#Cc1cnccc1C[N@H+]1CCC=C(c2ccccc2)C1 ZINC001307758835 932997168 /nfs/dbraw/zinc/99/71/68/932997168.db2.gz VAQXVLCPEUCGQT-UHFFFAOYSA-N 1 1 275.355 3.243 20 30 CGEDMO CCCCCCCC[N@H+]1CCCC[C@H]1CS(C)(=O)=O ZINC001307784604 933000549 /nfs/dbraw/zinc/00/05/49/933000549.db2.gz QEKHNRKOWDHIDV-HNNXBMFYSA-N 1 1 289.485 3.246 20 30 CGEDMO C#C[C@@H]1COCC[N@H+]1CCCCCCCCCC ZINC001307831063 933007025 /nfs/dbraw/zinc/00/70/25/933007025.db2.gz JOJDMXZWQZQENF-MRXNPFEDSA-N 1 1 251.414 3.461 20 30 CGEDMO C#C[C@@H]1COCC[N@@H+]1CCCCCCCCCC ZINC001307831063 933007027 /nfs/dbraw/zinc/00/70/27/933007027.db2.gz JOJDMXZWQZQENF-MRXNPFEDSA-N 1 1 251.414 3.461 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC001307884938 933013090 /nfs/dbraw/zinc/01/30/90/933013090.db2.gz WPPDHYSCCPFFAS-UHFFFAOYSA-N 1 1 255.264 3.016 20 30 CGEDMO CCCCCCCCC[N@@H+]1CCC[C@@](O)(CN(C)C)C1 ZINC001307879625 933013171 /nfs/dbraw/zinc/01/31/71/933013171.db2.gz QKZCZRAYHDNQIS-QGZVFWFLSA-N 1 1 284.488 3.126 20 30 CGEDMO CCCCCCCCC[N@H+]1CCC[C@@](O)(CN(C)C)C1 ZINC001307879625 933013174 /nfs/dbraw/zinc/01/31/74/933013174.db2.gz QKZCZRAYHDNQIS-QGZVFWFLSA-N 1 1 284.488 3.126 20 30 CGEDMO C=CCOCC[N@@H+]1CCCC[C@H]1Cc1ccc(OC)cc1 ZINC001307904777 933016976 /nfs/dbraw/zinc/01/69/76/933016976.db2.gz FOOIQKFUXKIZLU-KRWDZBQOSA-N 1 1 289.419 3.295 20 30 CGEDMO C=C(CC)C[NH+]1CCN(c2cc(OC)ccc2Cl)CC1 ZINC001307899582 933017158 /nfs/dbraw/zinc/01/71/58/933017158.db2.gz HRYPKCAIJXONJB-UHFFFAOYSA-N 1 1 294.826 3.437 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)N(C)[C@H]2CCCC[C@H]2C)C1 ZINC001307915895 933020362 /nfs/dbraw/zinc/02/03/62/933020362.db2.gz ZEOQORXKRUTDIP-ZACQAIPSSA-N 1 1 292.467 3.312 20 30 CGEDMO Cc1ccc(C[C@@]2(C)CCC[N@@H+]2CCO[C@@H](C)C#N)cc1 ZINC001307972836 933028321 /nfs/dbraw/zinc/02/83/21/933028321.db2.gz SWMWNTHWMGNRCI-FUHWJXTLSA-N 1 1 286.419 3.321 20 30 CGEDMO C[C@@H](CC#N)[NH2+]Cc1ccc(SC(F)F)cc1 ZINC001308506268 933121593 /nfs/dbraw/zinc/12/15/93/933121593.db2.gz UAGMJURRUIRCDW-VIFPVBQESA-N 1 1 256.321 3.393 20 30 CGEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2csc(C#N)c2)C1(C)C ZINC001308567767 933134310 /nfs/dbraw/zinc/13/43/10/933134310.db2.gz OLLUJWRTVGUSCP-ZIAGYGMSSA-N 1 1 278.421 3.255 20 30 CGEDMO C[C@H]([N@@H+](C)Cc1cc(C#N)ccc1N(C)C)C(C)(C)C ZINC001308628380 933144523 /nfs/dbraw/zinc/14/45/23/933144523.db2.gz WDDNDJAZSWQFOR-ZDUSSCGKSA-N 1 1 273.424 3.491 20 30 CGEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CC2(CCC2)[C@@H]1C1CC1 ZINC001308802361 933178880 /nfs/dbraw/zinc/17/88/80/933178880.db2.gz LUPSDLDDUWFSTD-SFHVURJKSA-N 1 1 295.430 3.389 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCSC[C@@H]2C2CCC2)cc1 ZINC001308828141 933185429 /nfs/dbraw/zinc/18/54/29/933185429.db2.gz YMEBAOHCLUSQQN-QGZVFWFLSA-N 1 1 271.429 3.385 20 30 CGEDMO CC(C)(C)[C@@H]1CC[N@H+](Cc2csc(C#N)c2)CCO1 ZINC001308983961 933221840 /nfs/dbraw/zinc/22/18/40/933221840.db2.gz KLRBACVPWKLYRT-AWEZNQCLSA-N 1 1 278.421 3.257 20 30 CGEDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2csc(C#N)c2)CCO1 ZINC001308983961 933221847 /nfs/dbraw/zinc/22/18/47/933221847.db2.gz KLRBACVPWKLYRT-AWEZNQCLSA-N 1 1 278.421 3.257 20 30 CGEDMO C=C[C@H](C(=O)NCC[N@H+](CC)CC(C)C)c1ccccc1 ZINC001317492489 933257519 /nfs/dbraw/zinc/25/75/19/933257519.db2.gz MVECJRJCJNZTHM-KRWDZBQOSA-N 1 1 288.435 3.050 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CC[N@H+](CCC)C2)CCCCC1 ZINC001317537183 933412249 /nfs/dbraw/zinc/41/22/49/933412249.db2.gz TTWGOMKGKMVIKV-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1 ZINC001317034395 933467918 /nfs/dbraw/zinc/46/79/18/933467918.db2.gz BTPAKVADBDMQTC-IRXDYDNUSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)CCC)C[C@@H]2C1 ZINC001316758257 933477771 /nfs/dbraw/zinc/47/77/71/933477771.db2.gz SYBPWRDZGDFWSX-ZACQAIPSSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)/C(C)=C/C)CC(C)(C)C1 ZINC001316811610 933484952 /nfs/dbraw/zinc/48/49/52/933484952.db2.gz SAPMZIVKIIRSKH-LULHVWEPSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCCNC(=O)[C@H]1CCCC12CC2 ZINC001316895194 933491170 /nfs/dbraw/zinc/49/11/70/933491170.db2.gz LVNARQSFPIHCOW-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C#CC[N@H+]1CCC[C@H](NC(=O)[C@H](CC)CCCCCC)C1 ZINC001316947276 933500223 /nfs/dbraw/zinc/50/02/23/933500223.db2.gz JSRPZASXEBEXGT-SJORKVTESA-N 1 1 292.467 3.197 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](CC)CCCCCC)C1 ZINC001316947276 933500231 /nfs/dbraw/zinc/50/02/31/933500231.db2.gz JSRPZASXEBEXGT-SJORKVTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)C2(C)CC=CC2)C1 ZINC001317044762 933520412 /nfs/dbraw/zinc/52/04/12/933520412.db2.gz RWURVZYLFNEGIK-INIZCTEOSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCCC)C1 ZINC001317101977 933531746 /nfs/dbraw/zinc/53/17/46/933531746.db2.gz ZTEQYDNBFSSYGX-HOTGVXAUSA-N 1 1 278.440 3.066 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H](CNC(=O)C2CC2)C1 ZINC001317128365 933537295 /nfs/dbraw/zinc/53/72/95/933537295.db2.gz MLOJGSKTXQEUKL-OAHLLOKOSA-N 1 1 280.456 3.195 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)CC(C)(C)C)C1 ZINC001317133694 933538207 /nfs/dbraw/zinc/53/82/07/933538207.db2.gz OSRFCMJCZCFJIH-HNNXBMFYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)C2(CCF)CC2)C1 ZINC001317375714 933579675 /nfs/dbraw/zinc/57/96/75/933579675.db2.gz BJYAHZQKTWZICU-OAHLLOKOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)c1cccc(C)c1F ZINC001317446300 933592979 /nfs/dbraw/zinc/59/29/79/933592979.db2.gz ATJXUCJEVRUMDH-AWEZNQCLSA-N 1 1 292.398 3.150 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCCC1(C)C ZINC001317456148 933593169 /nfs/dbraw/zinc/59/31/69/933593169.db2.gz DZQUOTHRLBAKQI-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)c1cc(C)c(CC)s1 ZINC001317492283 933604518 /nfs/dbraw/zinc/60/45/18/933604518.db2.gz HLPXDNFEYSQZBZ-UHFFFAOYSA-N 1 1 294.464 3.247 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001317519916 933609760 /nfs/dbraw/zinc/60/97/60/933609760.db2.gz HZQXHPBTBPYODG-HNNXBMFYSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)c1ccc(Cl)cc1F ZINC001317543812 933614363 /nfs/dbraw/zinc/61/43/63/933614363.db2.gz WLJXUHPLJGRLAJ-UHFFFAOYSA-N 1 1 298.789 3.107 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CCC)CCNC(=O)C#CC(C)(C)C ZINC001317541909 933615293 /nfs/dbraw/zinc/61/52/93/933615293.db2.gz HDAYRDFKOLUFGZ-INIZCTEOSA-N 1 1 292.467 3.219 20 30 CGEDMO C=C(Cl)C[N@H+](CCC)CCNC(=O)[C@H]1CC12CCCC2 ZINC001317546351 933615841 /nfs/dbraw/zinc/61/58/41/933615841.db2.gz CUSYPQYSHUPOAQ-CQSZACIVSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C(Cl)C[N@@H+](CCC)CCNC(=O)[C@H]1CC12CCCC2 ZINC001317546351 933615842 /nfs/dbraw/zinc/61/58/42/933615842.db2.gz CUSYPQYSHUPOAQ-CQSZACIVSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCC[N@@H+](CC=C(C)C)C1CC1 ZINC001317557234 933620054 /nfs/dbraw/zinc/62/00/54/933620054.db2.gz YAGCXAJGMWXANU-KRWDZBQOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)C[C@@H]2C=CCC2)C1 ZINC001317749677 933642842 /nfs/dbraw/zinc/64/28/42/933642842.db2.gz IMMDERCEAUXAEH-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H](C)CCCC)C1 ZINC001317755586 933644183 /nfs/dbraw/zinc/64/41/83/933644183.db2.gz XNOXLJAEYUEJSO-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)c2ccsc2C)C1 ZINC001317758438 933644167 /nfs/dbraw/zinc/64/41/67/933644167.db2.gz HTZIPUNEDSMNML-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CC(C)(C)CC(=O)NCC[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001317789971 933649706 /nfs/dbraw/zinc/64/97/06/933649706.db2.gz PSOJFOZEBZCPQW-MRXNPFEDSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](CCNC(=O)C2=CCCCCC2)C1 ZINC001317783848 933649884 /nfs/dbraw/zinc/64/98/84/933649884.db2.gz KMDDIQLGJMUGSO-INIZCTEOSA-N 1 1 290.451 3.281 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H](CC)CC(C)C)C1 ZINC001317857127 933659477 /nfs/dbraw/zinc/65/94/77/933659477.db2.gz OJTQAVBBCKXKOL-IAGOWNOFSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)C(C)C)C1 ZINC001317851776 933659751 /nfs/dbraw/zinc/65/97/51/933659751.db2.gz AMYCNPBPDXGGSX-CVEARBPZSA-N 1 1 280.456 3.025 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)C/C=C(\C)C=C)C1 ZINC001317979242 933671851 /nfs/dbraw/zinc/67/18/51/933671851.db2.gz BGRYWGNLRQSRAL-ZBBFWBNCSA-N 1 1 290.451 3.444 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)CCCC ZINC001318195919 933693600 /nfs/dbraw/zinc/69/36/00/933693600.db2.gz LELZTMRMJCJNLX-JYJNAYRXSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C2(CC(C)C)CCC2)C1 ZINC001318283271 933706860 /nfs/dbraw/zinc/70/68/60/933706860.db2.gz HTHYKFSWKAEMDA-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H](NC(=O)C2(C3CCC3)CCC2)C1 ZINC001318346990 933711048 /nfs/dbraw/zinc/71/10/48/933711048.db2.gz MYPDCEGRRGDMKR-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](CC/C=C\CCC)C2)C1 ZINC001318355555 933714857 /nfs/dbraw/zinc/71/48/57/933714857.db2.gz HUCTVLNTMYIQQP-MWWKQMNYSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)CC=C)C1 ZINC001318435880 933724627 /nfs/dbraw/zinc/72/46/27/933724627.db2.gz BXJXTDZUUZHEQC-HZPDHXFCSA-N 1 1 292.467 3.476 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)CC(CC)CC)C1 ZINC001318440459 933727633 /nfs/dbraw/zinc/72/76/33/933727633.db2.gz BCWRHSFFUGYHMX-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC=CCC2)C1 ZINC001318457491 933730401 /nfs/dbraw/zinc/73/04/01/933730401.db2.gz GNZSLVLHKXGJIY-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO CC(C)(C#N)CCC[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001319035559 933813931 /nfs/dbraw/zinc/81/39/31/933813931.db2.gz IIRAVQCSGKXCBS-UHFFFAOYSA-N 1 1 273.336 3.240 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001319035559 933813943 /nfs/dbraw/zinc/81/39/43/933813943.db2.gz IIRAVQCSGKXCBS-UHFFFAOYSA-N 1 1 273.336 3.240 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc([C@H]3C[C@@H]3C)o2)C1 ZINC001320084566 933994224 /nfs/dbraw/zinc/99/42/24/933994224.db2.gz BJPNDXVIHSWJEL-GUTXKFCHSA-N 1 1 261.365 3.180 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001320321612 934029686 /nfs/dbraw/zinc/02/96/86/934029686.db2.gz NYKDUVVQHQFTAC-LBPRGKRZSA-N 1 1 296.754 3.025 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001320321612 934029693 /nfs/dbraw/zinc/02/96/93/934029693.db2.gz NYKDUVVQHQFTAC-LBPRGKRZSA-N 1 1 296.754 3.025 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001320378737 934039183 /nfs/dbraw/zinc/03/91/83/934039183.db2.gz XLSCMFDPUIZLMD-BBWFWOEESA-N 1 1 257.377 3.067 20 30 CGEDMO C[C@H](N[C@@H]1CCCC[C@H]1[NH+](C)C)c1ccc(C#N)c(F)c1 ZINC001320671404 934085188 /nfs/dbraw/zinc/08/51/88/934085188.db2.gz ZVPAVTMAGUFFMF-JCURWCKSSA-N 1 1 289.398 3.221 20 30 CGEDMO C=CC[C@@H]1CCCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC001469921183 937745510 /nfs/dbraw/zinc/74/55/10/937745510.db2.gz SAYSSIOOEKJZQU-MRXNPFEDSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CC[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)C(=O)OCC ZINC001321151077 934156491 /nfs/dbraw/zinc/15/64/91/934156491.db2.gz YRLUILNLAMBCNZ-HTAVTVPLSA-N 1 1 293.329 3.205 20 30 CGEDMO CC(C)(C)[NH+]1CCN(c2c(Cl)cccc2C#N)CC1 ZINC001322087503 934240945 /nfs/dbraw/zinc/24/09/45/934240945.db2.gz ARQKRFLJRKSMRH-UHFFFAOYSA-N 1 1 277.799 3.132 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)C1(C)CCCC1 ZINC001322211072 934259343 /nfs/dbraw/zinc/25/93/43/934259343.db2.gz SPKRGQWMGOTMOQ-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)CC1CCCC1 ZINC001323179395 934370168 /nfs/dbraw/zinc/37/01/68/934370168.db2.gz SMXKMDWQUTZDGK-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC001323196738 934374782 /nfs/dbraw/zinc/37/47/82/934374782.db2.gz ASAUXKSHNGSAOX-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)c1ccoc1Cl ZINC001323232269 934375183 /nfs/dbraw/zinc/37/51/83/934375183.db2.gz PFZLPMLMFUICBE-RYUDHWBXSA-N 1 1 296.798 3.092 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)C12CCC(CC1)C2 ZINC001323262450 934375770 /nfs/dbraw/zinc/37/57/70/934375770.db2.gz NRLHUGSGINOCRD-CTMQZQKCSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[N@@H+](CCF)C1CCCCCC1 ZINC001323723468 934422078 /nfs/dbraw/zinc/42/20/78/934422078.db2.gz ZNTDVUPWUUDPPX-UHFFFAOYSA-N 1 1 298.446 3.309 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC001323785875 934424901 /nfs/dbraw/zinc/42/49/01/934424901.db2.gz ONSOKERPPFRKCT-AWEZNQCLSA-N 1 1 286.350 3.151 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccccc2OC(C)C)C1 ZINC001323786269 934425261 /nfs/dbraw/zinc/42/52/61/934425261.db2.gz UODLWFZGMYFYJD-MRXNPFEDSA-N 1 1 275.392 3.251 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C)CCC)C2)C1 ZINC001323800810 934427824 /nfs/dbraw/zinc/42/78/24/934427824.db2.gz BQNGGQAXFJZKBU-AEFFLSMTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)/C(C)=C\CC)C2)C1 ZINC001323798764 934427991 /nfs/dbraw/zinc/42/79/91/934427991.db2.gz CXHRBTFKNIACBL-WWQCUGACSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)CC(C)=C(C)C)C2)C1 ZINC001323812033 934428168 /nfs/dbraw/zinc/42/81/68/934428168.db2.gz IEZTZKKVVJJCCB-SFHVURJKSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCC[NH+]1CC(N(C)C(=O)[C@H](CC=C)c2ccccc2)C1 ZINC001324030299 934451982 /nfs/dbraw/zinc/45/19/82/934451982.db2.gz HGVBYLXYPBQMFK-GOSISDBHSA-N 1 1 298.430 3.065 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCCCNc1cccc(CC#N)n1 ZINC001324085195 934458252 /nfs/dbraw/zinc/45/82/52/934458252.db2.gz LWXILYGQNDQNIE-OAHLLOKOSA-N 1 1 286.423 3.214 20 30 CGEDMO CC(C)OCCO[NH+]=Cc1c(Cl)cccc1N(C)C ZINC001324247689 934476052 /nfs/dbraw/zinc/47/60/52/934476052.db2.gz QICGXDXUHUWLRW-UHFFFAOYSA-N 1 1 284.787 3.182 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](C[C@H](OC(C)C)c2ccccc2)C1 ZINC001324368600 934493559 /nfs/dbraw/zinc/49/35/59/934493559.db2.gz BJXGWEGBRCDXIL-ROUUACIJSA-N 1 1 289.419 3.430 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@](C)(NC(=O)C=C2CCCCC2)C1 ZINC001324587481 934529382 /nfs/dbraw/zinc/52/93/82/934529382.db2.gz HUGAEIHUUZDTHT-SFHVURJKSA-N 1 1 290.451 3.424 20 30 CGEDMO C[C@H](CNc1cc(F)ccc1C#N)[N@H+]1CCCC[C@@H]1C ZINC001472657254 937779645 /nfs/dbraw/zinc/77/96/45/937779645.db2.gz KKSSEVIYHNBPCP-QWHCGFSZSA-N 1 1 275.371 3.372 20 30 CGEDMO Cc1cc(NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)ncc1C#N ZINC001472685777 937780414 /nfs/dbraw/zinc/78/04/14/937780414.db2.gz PPHQITOKDSNILO-CYBMUJFWSA-N 1 1 286.423 3.184 20 30 CGEDMO C=CCCCC[N@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC001473158188 937794830 /nfs/dbraw/zinc/79/48/30/937794830.db2.gz HLHOECSOXWOGAU-MRXNPFEDSA-N 1 1 290.382 3.219 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](C)C[C@H]1CCCC[C@@H]1O ZINC001473325947 937802049 /nfs/dbraw/zinc/80/20/49/937802049.db2.gz APUCXZBLMUNXPQ-AEFFLSMTSA-N 1 1 286.419 3.158 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)c2cccs2)C1 ZINC001324911254 934870399 /nfs/dbraw/zinc/87/03/99/934870399.db2.gz YUUWWISQKXCFQB-INIZCTEOSA-N 1 1 292.448 3.156 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC(C)C ZINC001325920757 934939529 /nfs/dbraw/zinc/93/95/29/934939529.db2.gz MGSRJUGWTBBXII-JKSUJKDBSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)CC(C)C ZINC001325923143 934939646 /nfs/dbraw/zinc/93/96/46/934939646.db2.gz VGXGZPZXLXSVLD-CVEARBPZSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCO[C@@H]1CCN(c2[nH+]ccc3c(C)cccc32)C1 ZINC001325966196 934941936 /nfs/dbraw/zinc/94/19/36/934941936.db2.gz WYYILIBLRFNCJY-CQSZACIVSA-N 1 1 268.360 3.325 20 30 CGEDMO C=CC[N@@H+](Cc1ccc2cnccc2c1)[C@H](C)COC ZINC001473637986 937815181 /nfs/dbraw/zinc/81/51/81/937815181.db2.gz OUKGLMKGGVUXJY-CQSZACIVSA-N 1 1 270.376 3.258 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H]1CC(=O)OCC ZINC001326618959 934994811 /nfs/dbraw/zinc/99/48/11/934994811.db2.gz FQOAUPXTOKFBGH-AWEZNQCLSA-N 1 1 253.386 3.150 20 30 CGEDMO N#CCCC[C@H]([NH3+])c1nc(-c2cc3ccccc3o2)no1 ZINC001326636204 934996156 /nfs/dbraw/zinc/99/61/56/934996156.db2.gz HKUYAYCUURUIBI-NSHDSACASA-N 1 1 282.303 3.176 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC001326795629 935008096 /nfs/dbraw/zinc/00/80/96/935008096.db2.gz ZECVHMQRBNCMLK-QGZVFWFLSA-N 1 1 284.403 3.265 20 30 CGEDMO C=CCCC(=O)N1CCC[C@]2(CC[N@H+](CC[C@@H](C)F)C2)C1 ZINC001327523550 935066599 /nfs/dbraw/zinc/06/65/99/935066599.db2.gz CSMFTHNTRYYELS-NVXWUHKLSA-N 1 1 296.430 3.015 20 30 CGEDMO CC(=[NH+]Nc1ccc(C)c(Cl)c1)c1ccc(N)nc1 ZINC001327797904 935084849 /nfs/dbraw/zinc/08/48/49/935084849.db2.gz NQSQJMFZXLJHCQ-UHFFFAOYSA-N 1 1 274.755 3.462 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccc(OCC)cc2C)C1 ZINC001327878170 935093192 /nfs/dbraw/zinc/09/31/92/935093192.db2.gz JVIKJUSYLVEVKI-KRWDZBQOSA-N 1 1 275.392 3.171 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CC[N@H+](CC(C)C)[C@@H](C)C1 ZINC001328253638 935127110 /nfs/dbraw/zinc/12/71/10/935127110.db2.gz BWUWRMZGDVGVJQ-RDJZCZTQSA-N 1 1 292.467 3.380 20 30 CGEDMO C=CC[N@H+](CC)CC1CCN(C(=O)C[C@@H]2C=CCC2)CC1 ZINC001328568308 935148094 /nfs/dbraw/zinc/14/80/94/935148094.db2.gz UQGJGNHQCGYXNR-MRXNPFEDSA-N 1 1 290.451 3.089 20 30 CGEDMO C#CC[N@H+](C)C[C@H]1CCCN1C(=O)C[C@@H](C)CC(C)(C)C ZINC001328766227 935167553 /nfs/dbraw/zinc/16/75/53/935167553.db2.gz RAPSEQZYYBAMJD-HZPDHXFCSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)CC(=C)C ZINC001328765714 935167967 /nfs/dbraw/zinc/16/79/67/935167967.db2.gz NYTDRYNRHHSBHO-OAHLLOKOSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCC(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(C)cc1C ZINC001329396357 935211668 /nfs/dbraw/zinc/21/16/68/935211668.db2.gz KKHQPRWMQXFZKM-INIZCTEOSA-N 1 1 288.435 3.206 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](NC(=O)CCC2CCCC2)C(C)(C)C1 ZINC001330170450 935273575 /nfs/dbraw/zinc/27/35/75/935273575.db2.gz JMRFOKBJAIDVIK-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO N#Cc1ccc(N[NH+]=Cc2ccc(N)cc2Cl)cc1 ZINC001330192799 935276013 /nfs/dbraw/zinc/27/60/13/935276013.db2.gz QYUHJFZPRYNMQC-UHFFFAOYSA-N 1 1 270.723 3.240 20 30 CGEDMO C=CCCC[N@H+]1C[C@H](NC(=O)C2(C)CCCC2)C(C)(C)C1 ZINC001330225022 935277411 /nfs/dbraw/zinc/27/74/11/935277411.db2.gz XGIWPOBJQNDOLV-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](CCC(C)C)CC1(C)C ZINC001330229476 935278707 /nfs/dbraw/zinc/27/87/07/935278707.db2.gz GBMHJJNPFBVKEJ-JKSUJKDBSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)CC[N@H+](C)C1CCN(C(=O)C2(C)CC(=C)C2)CC1 ZINC001331053233 935346621 /nfs/dbraw/zinc/34/66/21/935346621.db2.gz DYXKDRBCRVSPFT-UHFFFAOYSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC(=O)N[C@]12CCC[C@H]1[N@@H+](CC1CCCC1)CC2 ZINC001332083084 935438684 /nfs/dbraw/zinc/43/86/84/935438684.db2.gz QXSIWOTWLBVKOY-AEFFLSMTSA-N 1 1 290.451 3.256 20 30 CGEDMO C=C(C)CCC(=O)N[C@]12CCC[C@H]1[N@@H+](CC=C(C)C)CC2 ZINC001332094228 935440054 /nfs/dbraw/zinc/44/00/54/935440054.db2.gz ZYYRKKXFXJCSNI-AEFFLSMTSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCCCC(=O)N[C@@]12CCC[C@@H]1[N@@H+](CCCC=C)CC2 ZINC001332110307 935440277 /nfs/dbraw/zinc/44/02/77/935440277.db2.gz IMLGWXTVFPXSDC-FUHWJXTLSA-N 1 1 290.451 3.422 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H](NC(=O)C(F)F)[C@H]1C ZINC001332163422 935445508 /nfs/dbraw/zinc/44/55/08/935445508.db2.gz ZNYKESPUSGADBI-CHWSQXEVSA-N 1 1 290.398 3.191 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C2(CF)CCC2)[C@H]1C ZINC001332204617 935448852 /nfs/dbraw/zinc/44/88/52/935448852.db2.gz HYWXIXJALOJMGA-CABCVRRESA-N 1 1 296.430 3.062 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CCC[N@H+](CCC(C)C)[C@@H]1C ZINC001332199300 935448936 /nfs/dbraw/zinc/44/89/36/935448936.db2.gz OGLVUGSTKHGFFL-CABCVRRESA-N 1 1 280.456 3.214 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001332523399 935475305 /nfs/dbraw/zinc/47/53/05/935475305.db2.gz QAAPOXYANLWTRG-HUUCEWRRSA-N 1 1 299.374 3.479 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)CC(C)(C)C)C(C)C ZINC001332687522 935481331 /nfs/dbraw/zinc/48/13/31/935481331.db2.gz DFFZXLKWOLXAHQ-UHFFFAOYSA-N 1 1 268.445 3.168 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)C1CCCCCC1)C(C)C ZINC001332693570 935481657 /nfs/dbraw/zinc/48/16/57/935481657.db2.gz ROFITFRVQLNYSY-UHFFFAOYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)C[C@@H]1CCC[C@@H]1C)C(C)C ZINC001332707291 935483148 /nfs/dbraw/zinc/48/31/48/935483148.db2.gz LKAVVLUSSPQVMG-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)c1ccoc1Cl)C(C)C ZINC001332699050 935483628 /nfs/dbraw/zinc/48/36/28/935483628.db2.gz KMGXMEPQFBWJQW-UHFFFAOYSA-N 1 1 298.814 3.292 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)C[C@@H]1C=CCCC1)C(C)C ZINC001332710943 935483970 /nfs/dbraw/zinc/48/39/70/935483970.db2.gz NAQOVSCGWBENJN-QGZVFWFLSA-N 1 1 292.467 3.478 20 30 CGEDMO CC(C)(C)c1n[nH]cc1C[NH2+]Cc1cc(C#N)ccc1F ZINC001332715040 935484200 /nfs/dbraw/zinc/48/42/00/935484200.db2.gz GDOSZTXSBBWXIX-UHFFFAOYSA-N 1 1 286.354 3.008 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CNC(=O)CC(C)(C)C=C)CC1 ZINC001333349186 935528118 /nfs/dbraw/zinc/52/81/18/935528118.db2.gz DTVXLBKMJMUSBY-UHFFFAOYSA-N 1 1 290.451 3.303 20 30 CGEDMO N#Cc1ccc(C2CC[NH+](CC3(C#N)CC3)CC2)cc1 ZINC001333372949 935530678 /nfs/dbraw/zinc/53/06/78/935530678.db2.gz ZKTHBUCPHFVDAR-UHFFFAOYSA-N 1 1 265.360 3.041 20 30 CGEDMO CC[C@H]([NH2+]Cc1cccc(C#N)n1)c1cc(F)ccc1OC ZINC001333810549 936067729 /nfs/dbraw/zinc/06/77/29/936067729.db2.gz TYKZAVUBZJEIQR-INIZCTEOSA-N 1 1 299.349 3.342 20 30 CGEDMO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1cncc(C#N)c1 ZINC001333919416 936075355 /nfs/dbraw/zinc/07/53/55/936075355.db2.gz NOQQLTOZCITXJH-GXFFZTMASA-N 1 1 283.297 3.116 20 30 CGEDMO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1cncc(C#N)c1 ZINC001333919416 936075360 /nfs/dbraw/zinc/07/53/60/936075360.db2.gz NOQQLTOZCITXJH-GXFFZTMASA-N 1 1 283.297 3.116 20 30 CGEDMO C=CCC[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001336217196 936181073 /nfs/dbraw/zinc/18/10/73/936181073.db2.gz LANJAECBCBJTRM-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO C[N@@H+]1Cc2ccccc2[C@H]1CNc1cc(C#N)cc(Cl)n1 ZINC001336691800 936206889 /nfs/dbraw/zinc/20/68/89/936206889.db2.gz FVFDVXSQCXJUDU-CQSZACIVSA-N 1 1 298.777 3.205 20 30 CGEDMO C[N@H+]1Cc2ccccc2[C@H]1CNc1cc(C#N)cc(Cl)n1 ZINC001336691800 936206892 /nfs/dbraw/zinc/20/68/92/936206892.db2.gz FVFDVXSQCXJUDU-CQSZACIVSA-N 1 1 298.777 3.205 20 30 CGEDMO CCc1c[nH]c2nc[nH+]c(NCC3CCC(C#N)CC3)c12 ZINC001336750401 936213951 /nfs/dbraw/zinc/21/39/51/936213951.db2.gz GDINHMFZHPQZMA-UHFFFAOYSA-N 1 1 283.379 3.214 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CCC ZINC001337257353 936245744 /nfs/dbraw/zinc/24/57/44/936245744.db2.gz CZWBDASKJHRUTR-GJZGRUSLSA-N 1 1 266.429 3.112 20 30 CGEDMO C[C@H](Nc1cc(C#N)ccn1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001337832974 936292472 /nfs/dbraw/zinc/29/24/72/936292472.db2.gz RIBGCWCQBUIUFN-ZFWWWQNUSA-N 1 1 284.407 3.018 20 30 CGEDMO C=CCn1cnn(C[N@H+]2CCC[C@H]2CC(C)C)c1=S ZINC001338103267 936305815 /nfs/dbraw/zinc/30/58/15/936305815.db2.gz GVBKHGMQENAVEL-ZDUSSCGKSA-N 1 1 280.441 3.068 20 30 CGEDMO C=CCn1cnn(C[N@@H+]2CCC[C@H]2CC(C)C)c1=S ZINC001338103267 936305819 /nfs/dbraw/zinc/30/58/19/936305819.db2.gz GVBKHGMQENAVEL-ZDUSSCGKSA-N 1 1 280.441 3.068 20 30 CGEDMO CCOC(=O)[C@@H](CC1CC1)[NH2+]CCCCC1(C#N)CCC1 ZINC001473772994 937820934 /nfs/dbraw/zinc/82/09/34/937820934.db2.gz HDOVISQCUYQJNL-OAHLLOKOSA-N 1 1 292.423 3.172 20 30 CGEDMO C=CCCC[N@H+](CC)C[Si](C)(C)c1ccccc1 ZINC001473861590 937825765 /nfs/dbraw/zinc/82/57/65/937825765.db2.gz CYAHSYBHKJOZCC-UHFFFAOYSA-N 1 1 261.485 3.429 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC001473865354 937825934 /nfs/dbraw/zinc/82/59/34/937825934.db2.gz PWBPOKKHMORRMO-AWEZNQCLSA-N 1 1 288.782 3.071 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC001473865354 937825936 /nfs/dbraw/zinc/82/59/36/937825936.db2.gz PWBPOKKHMORRMO-AWEZNQCLSA-N 1 1 288.782 3.071 20 30 CGEDMO CCCC[N@@H+](CC)Cc1cc(C#N)ccc1N(C)C ZINC001474404861 937857731 /nfs/dbraw/zinc/85/77/31/937857731.db2.gz VAALUJPDCMXZDC-UHFFFAOYSA-N 1 1 259.397 3.246 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccccc1OCC(F)F ZINC001474637278 937871753 /nfs/dbraw/zinc/87/17/53/937871753.db2.gz ZIGNEOCVSZUQKE-UHFFFAOYSA-N 1 1 255.308 3.338 20 30 CGEDMO CC1(c2ccccc2)C[NH+](CC#Cc2ccccc2)C1 ZINC001474638648 937871951 /nfs/dbraw/zinc/87/19/51/937871951.db2.gz KBGCVLQPOJZVME-UHFFFAOYSA-N 1 1 261.368 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCC2(C)CC2)[C@H]1CC ZINC001479643830 937923428 /nfs/dbraw/zinc/92/34/28/937923428.db2.gz FRBWRMVCYSPPPH-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@@H+](CCCCCF)[C@@H]1C ZINC001479718414 937924181 /nfs/dbraw/zinc/92/41/81/937924181.db2.gz IEILWNVDMAOQBH-HLLBOEOZSA-N 1 1 298.446 3.308 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1CC[N@@H+](CCCCCF)[C@@H]1C ZINC001479718415 937924330 /nfs/dbraw/zinc/92/43/30/937924330.db2.gz IEILWNVDMAOQBH-VYDXJSESSA-N 1 1 298.446 3.308 20 30 CGEDMO C=C(Cl)C[N@H+](CCCNC(=O)C[C@H]1C=CCC1)C1CC1 ZINC001479864305 937928105 /nfs/dbraw/zinc/92/81/05/937928105.db2.gz VPWLPQGMUCXTCY-AWEZNQCLSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+](CCCNC(=O)C[C@H]1C=CCC1)C1CC1 ZINC001479864305 937928106 /nfs/dbraw/zinc/92/81/06/937928106.db2.gz VPWLPQGMUCXTCY-AWEZNQCLSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001479953974 937929514 /nfs/dbraw/zinc/92/95/14/937929514.db2.gz ODGYVVAVNWAAMM-HRCADAONSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2csc(C)c2)C1 ZINC001479954715 937929708 /nfs/dbraw/zinc/92/97/08/937929708.db2.gz WRLLDEVIAXVHPI-OAHLLOKOSA-N 1 1 292.448 3.103 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)C2CCC(=C)CC2)C1 ZINC001479963114 937930407 /nfs/dbraw/zinc/93/04/07/937930407.db2.gz PPSOTYNXWNWNIY-WBVHZDCISA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)C[C@H]2C=CCCC2)C1 ZINC001480077727 937931696 /nfs/dbraw/zinc/93/16/96/937931696.db2.gz HHVKZVDEIFGNGW-DLBZAZTESA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)C=C2CCC2)C1 ZINC001480074054 937931747 /nfs/dbraw/zinc/93/17/47/937931747.db2.gz BAMNCMPQQBTGFG-KRWDZBQOSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)/C(C)=C\C)C1 ZINC001480075465 937931824 /nfs/dbraw/zinc/93/18/24/937931824.db2.gz XZVQJCQGINARNO-OBHDYHNASA-N 1 1 278.440 3.089 20 30 CGEDMO C#CC[N@H+](C)C[C@H]1CCCN(C(=O)CCCCC(C)C)C1 ZINC001480086747 937932221 /nfs/dbraw/zinc/93/22/21/937932221.db2.gz XBXFVTYWGHZNJH-QGZVFWFLSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)C2(C)CCCC2)C1 ZINC001480258556 937934837 /nfs/dbraw/zinc/93/48/37/937934837.db2.gz UHJMYXHPNSNNQF-AWEZNQCLSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)C2(C)CCCC2)C1 ZINC001480258556 937934838 /nfs/dbraw/zinc/93/48/38/937934838.db2.gz UHJMYXHPNSNNQF-AWEZNQCLSA-N 1 1 298.858 3.147 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)C[C@H](C)CC(C)C)C1 ZINC001480267359 937935415 /nfs/dbraw/zinc/93/54/15/937935415.db2.gz LNKJJWWLDSUEQL-IAGOWNOFSA-N 1 1 294.483 3.463 20 30 CGEDMO CCC(CC)C[N@H+]1CCCC[C@@H]1CNC(=O)C#CC(C)C ZINC001480315587 937936375 /nfs/dbraw/zinc/93/63/75/937936375.db2.gz AXGHHZNLYXMANK-QGZVFWFLSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)CC2CCC2)C1 ZINC001480735133 937943035 /nfs/dbraw/zinc/94/30/35/937943035.db2.gz CNVGFBSNORFGQP-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1CCCNC(=O)CC1=CCCCC1 ZINC001480820152 937944806 /nfs/dbraw/zinc/94/48/06/937944806.db2.gz XYVDLYLHWGAPEH-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)c1cc(C)oc1C ZINC001480816584 937944982 /nfs/dbraw/zinc/94/49/82/937944982.db2.gz DGFWJMKGAUOOHK-OAHLLOKOSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001480831225 937945491 /nfs/dbraw/zinc/94/54/91/937945491.db2.gz XMSUULCUVKUGKP-IXDOHACOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+](CC)CCNC(=O)CC1CCC(C)(C)CC1 ZINC001493066587 937946521 /nfs/dbraw/zinc/94/65/21/937946521.db2.gz CTLGDAHRIUKVCO-UHFFFAOYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001493228687 937948562 /nfs/dbraw/zinc/94/85/62/937948562.db2.gz WPCQQUUVPKXJMI-OAHLLOKOSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(Cl)C[N@H+](CCC)CCNC(=O)C1CCC=CCC1 ZINC001493331075 937949812 /nfs/dbraw/zinc/94/98/12/937949812.db2.gz CZXDYKODKFNVQM-UHFFFAOYSA-N 1 1 298.858 3.314 20 30 CGEDMO C=C(Cl)C[N@@H+](CCC)CCNC(=O)C1CCC=CCC1 ZINC001493331075 937949813 /nfs/dbraw/zinc/94/98/13/937949813.db2.gz CZXDYKODKFNVQM-UHFFFAOYSA-N 1 1 298.858 3.314 20 30 CGEDMO CC(C)[N@H+](C/C=C\Cl)CCCNC(=O)C#CC(C)(C)C ZINC001493858299 937951659 /nfs/dbraw/zinc/95/16/59/937951659.db2.gz CXHVXKDPHWIGSA-POHAHGRESA-N 1 1 298.858 3.005 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H](C)C(C)C)C1 ZINC001493968925 937952407 /nfs/dbraw/zinc/95/24/07/937952407.db2.gz MWGSAOGPCLLKBC-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)C[C@H]2CC=CCC2)C1 ZINC001494045908 937953075 /nfs/dbraw/zinc/95/30/75/937953075.db2.gz AEYXJHBXPYFOMR-DLBZAZTESA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@@H](C[N@H+](C)CCC(C)C)C1 ZINC001494136716 937953801 /nfs/dbraw/zinc/95/38/01/937953801.db2.gz GMRSJYLSCHONFM-INIZCTEOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC(C[N@H+](C)CC(C)C)CC2)C1 ZINC001494207667 937953961 /nfs/dbraw/zinc/95/39/61/937953961.db2.gz ZNBYZRMIMBMHEE-UHFFFAOYSA-N 1 1 292.467 3.169 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1CCC[N@H+](CC/C=C/CCC)C1 ZINC001494267060 937953976 /nfs/dbraw/zinc/95/39/76/937953976.db2.gz XHRUNAOKBVQHOC-IWAYRVGRSA-N 1 1 290.451 3.117 20 30 CGEDMO C/C=C(\C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCCCCC ZINC001494650548 937955425 /nfs/dbraw/zinc/95/54/25/937955425.db2.gz MSBZAVLBLUUOCK-ZGTFBXRNSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001494696474 937955578 /nfs/dbraw/zinc/95/55/78/937955578.db2.gz MMEDCJAFBVZTRD-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)CCC(C)(C)C ZINC001494680257 937955657 /nfs/dbraw/zinc/95/56/57/937955657.db2.gz BRKGHRNGRACWBD-PMPSAXMXSA-N 1 1 292.467 3.310 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CCC1 ZINC001494665657 937955732 /nfs/dbraw/zinc/95/57/32/937955732.db2.gz FKBKPOCNOKSFPM-HOTGVXAUSA-N 1 1 292.467 3.432 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)C2CC3(CC3)C2)C1 ZINC001494725526 937955969 /nfs/dbraw/zinc/95/59/69/937955969.db2.gz YCWHLEFYPMSMSO-INIZCTEOSA-N 1 1 292.467 3.338 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)CCCCC(C)C)C1 ZINC001494862134 937956876 /nfs/dbraw/zinc/95/68/76/937956876.db2.gz NBMHDBSLKKZEPH-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CC[N@H+](C)CCC1CCN(C(=O)C(C)(CC)CC)CC1 ZINC001496513901 937962779 /nfs/dbraw/zinc/96/27/79/937962779.db2.gz XDEPDPXUEQJMJV-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]1CCC ZINC001496732401 937964068 /nfs/dbraw/zinc/96/40/68/937964068.db2.gz ASNJGSCALJPPAL-HZPDHXFCSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC001498238078 937968540 /nfs/dbraw/zinc/96/85/40/937968540.db2.gz DRWZFBKUADTQAZ-ZDUSSCGKSA-N 1 1 294.826 3.243 20 30 CGEDMO CC#CC[N@@H+](C)C[C@@H](C)NC(=O)CCCCC(C)(C)C ZINC001498297333 937968865 /nfs/dbraw/zinc/96/88/65/937968865.db2.gz VQKBJGMAIFOLOI-OAHLLOKOSA-N 1 1 280.456 3.053 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)c1cc(C)sc1C ZINC001498333073 937968948 /nfs/dbraw/zinc/96/89/48/937968948.db2.gz TWECIOMJVKARGT-LBPRGKRZSA-N 1 1 294.464 3.381 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H](C)C[N@@H+](C)CCC(C)(C)C ZINC001498375188 937969228 /nfs/dbraw/zinc/96/92/28/937969228.db2.gz KGSGDJKQUMXHNV-RHSMWYFYSA-N 1 1 282.472 3.461 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)c1ccoc1C1CC1 ZINC001498365028 937969371 /nfs/dbraw/zinc/96/93/71/937969371.db2.gz AHCKFMMJWHWFCO-ZDUSSCGKSA-N 1 1 290.407 3.173 20 30 CGEDMO C=CC[N@H+](C)C[C@@H](C)NC(=O)c1cccc(C2CCC2)c1 ZINC001498425606 937969681 /nfs/dbraw/zinc/96/96/81/937969681.db2.gz PJOOJNYOGXODAQ-CQSZACIVSA-N 1 1 286.419 3.190 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H]1CNC(=O)C1(C)CC=CC1 ZINC001499056236 937972015 /nfs/dbraw/zinc/97/20/15/937972015.db2.gz IYDRYYYWYJACCC-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001499102207 937972497 /nfs/dbraw/zinc/97/24/97/937972497.db2.gz OWZQPLGSLQPWEM-BRWVUGGUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)C(C)(C)CC=C ZINC001499072273 937972627 /nfs/dbraw/zinc/97/26/27/937972627.db2.gz NIWJMLMUVFGVTD-CABCVRRESA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]1CNC(=O)C[C@H](C=C)c1ccccc1 ZINC001499123841 937972820 /nfs/dbraw/zinc/97/28/20/937972820.db2.gz CXWHRIFISHIRSD-WMZOPIPTSA-N 1 1 298.430 3.113 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCC(=C)C)C1 ZINC001499482001 937973516 /nfs/dbraw/zinc/97/35/16/937973516.db2.gz SLUHXEFOJAPLQF-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C[N@@H+](CCc1cccc(NC(=O)C#CC(C)(C)C)c1)C1CC1 ZINC001546269740 937973529 /nfs/dbraw/zinc/97/35/29/937973529.db2.gz ZQIIYQCKAWFTDE-UHFFFAOYSA-N 1 1 298.430 3.311 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCC(=C)C)C1 ZINC001499482000 937973541 /nfs/dbraw/zinc/97/35/41/937973541.db2.gz SLUHXEFOJAPLQF-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)CCCC)C2)C1 ZINC001499603822 937973874 /nfs/dbraw/zinc/97/38/74/937973874.db2.gz PXFPUOBRLJQADX-SJLPKXTDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](F)CC ZINC001501391269 937979510 /nfs/dbraw/zinc/97/95/10/937979510.db2.gz POMIEJLOSOPNAU-BZUAXINKSA-N 1 1 296.430 3.156 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)CCC ZINC001501382277 937979601 /nfs/dbraw/zinc/97/96/01/937979601.db2.gz NIAKLOFCLVGZKY-OWCLPIDISA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C)CCC)CC1 ZINC001502116542 937981267 /nfs/dbraw/zinc/98/12/67/937981267.db2.gz MAALYLZWGNYEOF-OCCSQVGLSA-N 1 1 286.847 3.146 20 30 CGEDMO C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)/C=C(\C)CC ZINC001502522311 937982585 /nfs/dbraw/zinc/98/25/85/937982585.db2.gz OZOOPVYTPHWZTN-OTMARIDSSA-N 1 1 298.430 3.072 20 30 CGEDMO C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)/C=C(\C)CC ZINC001502522311 937982586 /nfs/dbraw/zinc/98/25/86/937982586.db2.gz OZOOPVYTPHWZTN-OTMARIDSSA-N 1 1 298.430 3.072 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CCCCC)C[C@H]1C ZINC001502903900 937983702 /nfs/dbraw/zinc/98/37/02/937983702.db2.gz VSJLQSXRDKQLKP-HUUCEWRRSA-N 1 1 266.429 3.112 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)/C=C/C(C)(C)C)C[C@@H]1C ZINC001502907185 937983800 /nfs/dbraw/zinc/98/38/00/937983800.db2.gz UWOSSTVHCIITKE-AJKRIUKHSA-N 1 1 298.858 3.310 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)/C=C/C(C)(C)C)C[C@@H]1C ZINC001502907185 937983801 /nfs/dbraw/zinc/98/38/01/937983801.db2.gz UWOSSTVHCIITKE-AJKRIUKHSA-N 1 1 298.858 3.310 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC(C)=C(C)C)C[C@@H]1C ZINC001502968043 937983912 /nfs/dbraw/zinc/98/39/12/937983912.db2.gz KRQMKXGXBKVBNN-GJZGRUSLSA-N 1 1 298.858 3.454 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC(C)=C(C)C)C[C@@H]1C ZINC001502968043 937983913 /nfs/dbraw/zinc/98/39/13/937983913.db2.gz KRQMKXGXBKVBNN-GJZGRUSLSA-N 1 1 298.858 3.454 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)c1cc(C)ccc1C ZINC001506045971 937988885 /nfs/dbraw/zinc/98/88/85/937988885.db2.gz HHUIPNQDUCMICT-INIZCTEOSA-N 1 1 288.435 3.320 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC(C)(C)C ZINC001506558508 937990769 /nfs/dbraw/zinc/99/07/69/937990769.db2.gz JEGHPZRLFZFXKL-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C(C)(CC)CC ZINC001506585331 937990876 /nfs/dbraw/zinc/99/08/76/937990876.db2.gz STXJMMRXQSQWGC-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)CCC3CCC3)CCC[C@@H]12 ZINC001507340448 937995170 /nfs/dbraw/zinc/99/51/70/937995170.db2.gz KEDJBJUPLKNXLJ-AEFFLSMTSA-N 1 1 290.451 3.256 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C2(CF)CCC2)[C@@H]1C ZINC001507379615 937995419 /nfs/dbraw/zinc/99/54/19/937995419.db2.gz AALGKEJUCGDXFC-LSDHHAIUSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)c1ccc(CF)cc1)C(C)C ZINC001507861738 937997167 /nfs/dbraw/zinc/99/71/67/937997167.db2.gz FKSRZNBNWIOORJ-UHFFFAOYSA-N 1 1 292.398 3.125 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)C2(C)CC=CC2)CC1 ZINC001508220733 937998717 /nfs/dbraw/zinc/99/87/17/937998717.db2.gz MBACPPCCMSCICX-UHFFFAOYSA-N 1 1 288.435 3.057 20 30 CGEDMO CC(C)C[N@H+]1CCC[C@H]1C(=O)Nc1ccc(CCC#N)cc1 ZINC001514604101 938002199 /nfs/dbraw/zinc/00/21/99/938002199.db2.gz KYEVJNMXBFURNI-KRWDZBQOSA-N 1 1 299.418 3.202 20 30 CGEDMO C=CC[C@H]1N(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CCCC1(C)C ZINC001519870376 938021458 /nfs/dbraw/zinc/02/14/58/938021458.db2.gz IYUQQCIUQGVVIJ-HZPDHXFCSA-N 1 1 292.467 3.453 20 30 CGEDMO CCCCCCCCOCC(=O)Nc1cc(C)[nH+]c(C)c1 ZINC001536238909 938104076 /nfs/dbraw/zinc/10/40/76/938104076.db2.gz ZBOKRRBCRPIVGH-UHFFFAOYSA-N 1 1 292.423 3.436 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H](C(=O)Nc2ccc(CCC#N)cc2)C1 ZINC001558424910 938215363 /nfs/dbraw/zinc/21/53/63/938215363.db2.gz AKOJAAAEHSUEOC-INIZCTEOSA-N 1 1 299.418 3.202 20 30 CGEDMO C#CC[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC2(CCC2)CO1 ZINC001559513540 938228211 /nfs/dbraw/zinc/22/82/11/938228211.db2.gz BUSBAOCZQRBEAP-KRWDZBQOSA-N 1 1 287.378 3.220 20 30 CGEDMO C#CCCCCCC[N@@H+]1C[C@H](CC)N(C(C)=O)C[C@H]1CC ZINC001559580622 938230026 /nfs/dbraw/zinc/23/00/26/938230026.db2.gz MKZBZHNFCKVNPI-MSOLQXFVSA-N 1 1 292.467 3.291 20 30 CGEDMO CC[C@H]([NH2+]CCCCC(C)(C)C#N)c1noc(C)n1 ZINC001559736362 938234131 /nfs/dbraw/zinc/23/41/31/938234131.db2.gz JDSYOBMPJBILEX-LBPRGKRZSA-N 1 1 264.373 3.139 20 30 CGEDMO CCCCCCCC[N@H+]1[C@H](C)CC[C@@H](C(N)=O)[C@@H]1C ZINC001559949455 938239822 /nfs/dbraw/zinc/23/98/22/938239822.db2.gz ZYALMKJTYSMBBJ-QLFBSQMISA-N 1 1 268.445 3.321 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](C[C@H](O)c2cccc(C)c2)C1 ZINC001559983252 938241026 /nfs/dbraw/zinc/24/10/26/938241026.db2.gz LNAWIQZAWKCJNC-WBVHZDCISA-N 1 1 259.393 3.317 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1ccc(S(C)(=O)=O)cc1 ZINC001560200339 938246850 /nfs/dbraw/zinc/24/68/50/938246850.db2.gz UIQPIMNSHFSASA-HNNXBMFYSA-N 1 1 293.432 3.021 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1CCSc1cccc(OC)c1 ZINC001560205418 938246959 /nfs/dbraw/zinc/24/69/59/938246959.db2.gz ANVUFMVBZRFGTB-CYBMUJFWSA-N 1 1 263.406 3.438 20 30 CGEDMO CC(C)(C)[C@H]1CC[N@@H+](CCC(C)(C)C#N)CCO1 ZINC001560236636 938248461 /nfs/dbraw/zinc/24/84/61/938248461.db2.gz UFLSFBIEROMLSZ-CYBMUJFWSA-N 1 1 252.402 3.063 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](C=C)CC)C1 ZINC001481738769 957715896 /nfs/dbraw/zinc/71/58/96/957715896.db2.gz PLCSRFVPHKVBPY-HOTGVXAUSA-N 1 1 278.440 3.088 20 30 CGEDMO COc1ccc2cc[nH+]c(NCc3ncc(C#N)s3)c2c1 ZINC001161003736 958836180 /nfs/dbraw/zinc/83/61/80/958836180.db2.gz UWALTVNGZAQUGL-UHFFFAOYSA-N 1 1 296.355 3.184 20 30 CGEDMO N#Cc1ccc2c(c1)CCN(c1ccc3c([nH+]1)CCC3)C2 ZINC001164481704 958842694 /nfs/dbraw/zinc/84/26/94/958842694.db2.gz JHFGQGQBKUABEY-UHFFFAOYSA-N 1 1 275.355 3.005 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@@]3(CC[N@H+](CC)C3)C2)CCCC1 ZINC001569481300 960453732 /nfs/dbraw/zinc/45/37/32/960453732.db2.gz SPEUBSSDWQAPMB-QGZVFWFLSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)/C=C\C(C)(C)C)C1 ZINC001569631785 960454008 /nfs/dbraw/zinc/45/40/08/960454008.db2.gz HNJDTKKYNHJLHA-NBEHIINDSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)C1(C)CCCCC1 ZINC001570734197 960458198 /nfs/dbraw/zinc/45/81/98/960458198.db2.gz OWRNEPKBROVBRO-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)[C@H]1CCCC[C@H]1C)C(C)C ZINC001571614367 960464586 /nfs/dbraw/zinc/46/45/86/960464586.db2.gz FPODDWGZVYICDD-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCNC(=O)c1occc1C(C)C ZINC001566484107 960561391 /nfs/dbraw/zinc/56/13/91/960561391.db2.gz DYWWDEHFAIOULP-UHFFFAOYSA-N 1 1 292.423 3.421 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)CC ZINC001566751698 960577585 /nfs/dbraw/zinc/57/75/85/960577585.db2.gz XDNBNIFREXKQAX-VVLHAWIVSA-N 1 1 292.467 3.453 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]([N@@H+](C)CCC(=C)C)C1 ZINC001567198898 960581246 /nfs/dbraw/zinc/58/12/46/960581246.db2.gz QIPOSJWMKCDEIS-SJLPKXTDSA-N 1 1 292.467 3.478 20 30 CGEDMO C#CCCCC(=O)NC[C@@H]1CCC[N@@H+]1C[C@H](C)CC(C)C ZINC001567363272 960593631 /nfs/dbraw/zinc/59/36/31/960593631.db2.gz QEAXTMXLXJJDLC-SJORKVTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCNC(=O)CC(C)(C)C1CC1 ZINC001566450617 960934580 /nfs/dbraw/zinc/93/45/80/960934580.db2.gz CMQBRIZOXDIZND-UHFFFAOYSA-N 1 1 286.847 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCNC(=O)CC(C)(C)C1CC1 ZINC001566450617 960934589 /nfs/dbraw/zinc/93/45/89/960934589.db2.gz CMQBRIZOXDIZND-UHFFFAOYSA-N 1 1 286.847 3.003 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)C1(C)CCCC1 ZINC001566478553 960941792 /nfs/dbraw/zinc/94/17/92/960941792.db2.gz UNCAUOAUCXFOAO-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)CCCNC(=O)C(C)(C)C(C)C ZINC001566551162 960951330 /nfs/dbraw/zinc/95/13/30/960951330.db2.gz JITOQFBAHARXIY-UHFFFAOYSA-N 1 1 288.863 3.249 20 30 CGEDMO C#CCC[N@@H+](CC)CCCNC(=O)[C@@H](C)[C@H](C)C(C)(C)C ZINC001566568163 960951994 /nfs/dbraw/zinc/95/19/94/960951994.db2.gz CHPGUXAZBJRPOC-HOTGVXAUSA-N 1 1 294.483 3.156 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)C(C)(C)C)C1 ZINC001566625809 960978521 /nfs/dbraw/zinc/97/85/21/960978521.db2.gz PSMPCWVITWOODB-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H](C[N@H+](C)CC[C@H](C)F)C1 ZINC001566741635 960997414 /nfs/dbraw/zinc/99/74/14/960997414.db2.gz HEDASHVBQSYOBM-HOTGVXAUSA-N 1 1 298.446 3.261 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H](C[N@H+](C)CC/C=C/CC)C1 ZINC001566734777 961000031 /nfs/dbraw/zinc/00/00/31/961000031.db2.gz AEZVZGSYPAEYDZ-DBWMJRBXSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC001566837328 961023298 /nfs/dbraw/zinc/02/32/98/961023298.db2.gz KCIUGLYEBGCIQQ-INIZCTEOSA-N 1 1 288.435 3.022 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H](CNC(=O)C[C@@H]2C=CCC2)C1 ZINC001566866569 961034801 /nfs/dbraw/zinc/03/48/01/961034801.db2.gz ZRZKHRVKMDAYFY-IAGOWNOFSA-N 1 1 290.451 3.137 20 30 CGEDMO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](C)CC(C)C ZINC001566929065 961055791 /nfs/dbraw/zinc/05/57/91/961055791.db2.gz SMNFYOPFFORIPM-DLBZAZTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)=C1CCC1 ZINC001566921643 961064938 /nfs/dbraw/zinc/06/49/38/961064938.db2.gz PYKMGNVLBQOVPS-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2(CCCC)CC2)C1 ZINC001566966546 961079171 /nfs/dbraw/zinc/07/91/71/961079171.db2.gz WTQWDPVSTFIQMF-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)CC2CC2)C1 ZINC001567184843 961133380 /nfs/dbraw/zinc/13/33/80/961133380.db2.gz LSDRXPPIGMNHNA-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)c2cocc2C)C1 ZINC001567195962 961143163 /nfs/dbraw/zinc/14/31/63/961143163.db2.gz FSLMIWFHBXHINN-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CCC[N@@H+](C)CCNC(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC001567286789 961256061 /nfs/dbraw/zinc/25/60/61/961256061.db2.gz XCAQAKMJYMTTDS-QAQDUYKDSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CCC(=O)NCC[N@H+](C)[C@@H](C)c1cccc(F)c1 ZINC001567284645 961267265 /nfs/dbraw/zinc/26/72/65/961267265.db2.gz QMDALHAGEHVEJV-AWEZNQCLSA-N 1 1 292.398 3.291 20 30 CGEDMO C#CCC[N@@H+](CC)CCNC(=O)C(C)(C)C1CCCCC1 ZINC001567347162 961294022 /nfs/dbraw/zinc/29/40/22/961294022.db2.gz RVPOGZSPQSNQIP-UHFFFAOYSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1csc(C)c1 ZINC001567366192 961300618 /nfs/dbraw/zinc/30/06/18/961300618.db2.gz COKAABWEAFBHRJ-HNNXBMFYSA-N 1 1 292.448 3.103 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](CNC(=O)C2(C)CCCCC2)C1 ZINC001567411336 961321138 /nfs/dbraw/zinc/32/11/38/961321138.db2.gz HACRKPPFJJYKAQ-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](CNC(=O)C(C)=C2CCCC2)C1 ZINC001567397574 961324123 /nfs/dbraw/zinc/32/41/23/961324123.db2.gz YENKTSVYYAPMBU-INIZCTEOSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C=C)c1ccccc1 ZINC001567391462 961326148 /nfs/dbraw/zinc/32/61/48/961326148.db2.gz PLOQPLBTDOOIKZ-MSOLQXFVSA-N 1 1 298.430 3.113 20 30 CGEDMO CCCCC[N@@H+](CCCNC(=O)C#CC(C)(C)C)C(C)C ZINC001567641638 961377388 /nfs/dbraw/zinc/37/73/88/961377388.db2.gz NFIZSYSKICRMJM-UHFFFAOYSA-N 1 1 294.483 3.443 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](CCNC(=O)[C@H](CC)CC(C)C)C1 ZINC001567711372 961406949 /nfs/dbraw/zinc/40/69/49/961406949.db2.gz ACFNWLZWWWILGA-JKSUJKDBSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)C(CC)CC)C1 ZINC001567731221 961414390 /nfs/dbraw/zinc/41/43/90/961414390.db2.gz JWBBXBXICWUTTC-CVEARBPZSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@H]2C=CCC2)C1 ZINC001567723622 961415405 /nfs/dbraw/zinc/41/54/05/961415405.db2.gz ZAKGBYSEGXCGIL-IRXDYDNUSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(C)cs2)C1 ZINC001567727282 961418524 /nfs/dbraw/zinc/41/85/24/961418524.db2.gz FQLBQHZDUCEOFU-AWEZNQCLSA-N 1 1 292.448 3.027 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CCC1 ZINC001567854262 961444388 /nfs/dbraw/zinc/44/43/88/961444388.db2.gz ZPTMCQPZJDFVCR-IRXDYDNUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)CC2(C)CCCC2)C1 ZINC001567937082 961468496 /nfs/dbraw/zinc/46/84/96/961468496.db2.gz CXRGMEXUONJANS-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC1(C(=O)N(C)CC[N@@H+](C)CCC(=C)C)CCC1 ZINC001568495560 961591650 /nfs/dbraw/zinc/59/16/50/961591650.db2.gz OXHABHDBSJGYQL-UHFFFAOYSA-N 1 1 278.440 3.089 20 30 CGEDMO CC#CCCCC(=O)N(C)CC[N@@H+](C)CC1CCCCC1 ZINC001568494084 961598353 /nfs/dbraw/zinc/59/83/53/961598353.db2.gz OVWAZXSHPJVFET-UHFFFAOYSA-N 1 1 292.467 3.151 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CCC2CC2)C1 ZINC001568512852 961607873 /nfs/dbraw/zinc/60/78/73/961607873.db2.gz CPCKNJMUVSDQAA-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C#CC[N@H+](C)C[C@H](C)NC(=O)[C@H](CCC)CC1CCCC1 ZINC001569141490 961696596 /nfs/dbraw/zinc/69/65/96/961696596.db2.gz RKABADPKGZCCLF-DOTOQJQBSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(C)c(F)c1 ZINC001569126797 961697931 /nfs/dbraw/zinc/69/79/31/961697931.db2.gz NNAXZDWYSGIPPY-AWEZNQCLSA-N 1 1 292.398 3.150 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)cs1 ZINC001569355432 961741298 /nfs/dbraw/zinc/74/12/98/961741298.db2.gz JTUXDPOEJKOLJP-ZIAGYGMSSA-N 1 1 292.448 3.215 20 30 CGEDMO C#CC[N@H+](CCNC(=O)C[C@@H](C)CC)C1CCCCCC1 ZINC001569450469 961771663 /nfs/dbraw/zinc/77/16/63/961771663.db2.gz XQLXVYJGMXRCBQ-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CCCCC)C2)C1 ZINC001569464826 961773707 /nfs/dbraw/zinc/77/37/07/961773707.db2.gz VHHQNSOHRDKLTK-GOSISDBHSA-N 1 1 292.467 3.457 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)CCCC)C2)C1 ZINC001569463664 961779401 /nfs/dbraw/zinc/77/94/01/961779401.db2.gz AMINSHJBRWMEHO-SFHVURJKSA-N 1 1 292.467 3.457 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)CC(C)=C(C)C)CC1 ZINC001569574219 961792689 /nfs/dbraw/zinc/79/26/89/961792689.db2.gz CEMBVPNXYFPHGN-UHFFFAOYSA-N 1 1 298.858 3.456 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)C/C=C(\C)C=C)C1 ZINC001569644742 961814354 /nfs/dbraw/zinc/81/43/54/961814354.db2.gz OUFOQPLVLWQZHX-NQUDRAQSSA-N 1 1 276.424 3.056 20 30 CGEDMO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](F)CC)C2 ZINC001569859653 961854379 /nfs/dbraw/zinc/85/43/79/961854379.db2.gz CXUKDNJNVDLYNS-QKPAOTATSA-N 1 1 296.430 3.060 20 30 CGEDMO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](F)CC)C2 ZINC001569859652 961855400 /nfs/dbraw/zinc/85/54/00/961855400.db2.gz CXUKDNJNVDLYNS-FZKCQIBNSA-N 1 1 296.430 3.060 20 30 CGEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C)[C@@H](C)CC)C2 ZINC001569860968 961857726 /nfs/dbraw/zinc/85/77/26/961857726.db2.gz IZDFACHTTHLGLR-VIQHNZTISA-N 1 1 292.467 3.214 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H](C)CC ZINC001569913148 961876175 /nfs/dbraw/zinc/87/61/75/961876175.db2.gz NXIVPSMVOIIKQN-GVDBMIGSSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CCC)C(C)C)CC1 ZINC001570183336 961929643 /nfs/dbraw/zinc/92/96/43/961929643.db2.gz IOLNLMZXFNRJGU-HOTGVXAUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@H+](C)CCCN(C)C(=O)C(C)(C)CC(C)C ZINC001570215411 961934588 /nfs/dbraw/zinc/93/45/88/961934588.db2.gz DAEVQMRUZNIBCA-UHFFFAOYSA-N 1 1 268.445 3.025 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](CCC(=C)C)[C@@H](C)C1 ZINC001570440191 961966700 /nfs/dbraw/zinc/96/67/00/961966700.db2.gz JDQXTXPLPXHMRW-GJZGRUSLSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C=C)c1ccccc1 ZINC001570547539 961998005 /nfs/dbraw/zinc/99/80/05/961998005.db2.gz FDWQDKDMYPGMDC-ROUUACIJSA-N 1 1 298.430 3.065 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(F)cc1 ZINC001570694301 962042647 /nfs/dbraw/zinc/04/26/47/962042647.db2.gz ZQSDNDSIBKWBLY-KGLIPLIRSA-N 1 1 292.398 3.231 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)CNC(=O)[C@H](C)c1ccc(Cl)cc1 ZINC001570734072 962061320 /nfs/dbraw/zinc/06/13/20/962061320.db2.gz MGKHCTMWJSSTOC-CHWSQXEVSA-N 1 1 294.826 3.066 20 30 CGEDMO C#CCCCC(=O)NC[C@@H](C)[N@@H+](C)CCCC(C)(C)C ZINC001570709047 962064913 /nfs/dbraw/zinc/06/49/13/962064913.db2.gz MYPDBDXYONCZSF-OAHLLOKOSA-N 1 1 280.456 3.053 20 30 CGEDMO C#CC[N@H+](C)[C@@H](C)CNC(=O)[C@H](CCC)CC1CCCC1 ZINC001570739684 962073024 /nfs/dbraw/zinc/07/30/24/962073024.db2.gz GIANKUVCANQFEJ-DOTOQJQBSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H]1C[N@@H+](CC=C(C)C)CC1(C)C ZINC001570902171 962107963 /nfs/dbraw/zinc/10/79/63/962107963.db2.gz MUNPPMHLBBFAHY-CVEARBPZSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)CC[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2C(C)C)CC1 ZINC001571335138 962131337 /nfs/dbraw/zinc/13/13/37/962131337.db2.gz XTYZGZXPHVBNCT-DLBZAZTESA-N 1 1 292.467 3.168 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC([N@H+](C)C[C@H](F)CC)CC1 ZINC001571333301 962136474 /nfs/dbraw/zinc/13/64/74/962136474.db2.gz LRHRJVCZTPMORN-LSDHHAIUSA-N 1 1 298.446 3.260 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC([N@@H+](C)CC(=C)C)CC1 ZINC001571333273 962137679 /nfs/dbraw/zinc/13/76/79/962137679.db2.gz KXYNJGVTSZPGGA-OAHLLOKOSA-N 1 1 278.440 3.088 20 30 CGEDMO CC(C)CC[N@H+]1CCC[C@@H](NC(=O)C#CC(C)(C)C)[C@H]1C ZINC001571518970 962166625 /nfs/dbraw/zinc/16/66/25/962166625.db2.gz MPYIKSHLGWWXGP-HZPDHXFCSA-N 1 1 292.467 3.051 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CCC2CC2)[C@@H]1C ZINC001571521452 962166889 /nfs/dbraw/zinc/16/68/89/962166889.db2.gz RTTVJUXTMVULAA-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C=C)[C@@H]1C ZINC001571520123 962168275 /nfs/dbraw/zinc/16/82/75/962168275.db2.gz AXOGEOADXWOSII-LSDHHAIUSA-N 1 1 278.440 3.134 20 30 CGEDMO C=C(C)CC[N@H+]1CCOC[C@H]1C[C@H]1CNc2ccccc21 ZINC001574834447 962323799 /nfs/dbraw/zinc/32/37/99/962323799.db2.gz CBDVVQWMUQYBAV-JKSUJKDBSA-N 1 1 286.419 3.253 20 30 CGEDMO C=CC[C@@]1(C(=O)Oc2cccc(Cl)c2F)CCC[NH2+]1 ZINC001574897659 962335589 /nfs/dbraw/zinc/33/55/89/962335589.db2.gz SFHJWCYRQPDVEP-AWEZNQCLSA-N 1 1 283.730 3.083 20 30 CGEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000124883214 187159161 /nfs/dbraw/zinc/15/91/61/187159161.db2.gz XXZDYAFYBOBBMR-YOEHRIQHSA-N 1 1 297.402 3.151 20 30 CGEDMO CC[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000124950504 187162848 /nfs/dbraw/zinc/16/28/48/187162848.db2.gz LTZCNUWSOSMVEC-MAUKXSAKSA-N 1 1 285.435 3.425 20 30 CGEDMO CC[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000124950504 187162849 /nfs/dbraw/zinc/16/28/49/187162849.db2.gz LTZCNUWSOSMVEC-MAUKXSAKSA-N 1 1 285.435 3.425 20 30 CGEDMO CCN(CC[C@H]1CCC[N@@H+]1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000124950504 187162850 /nfs/dbraw/zinc/16/28/50/187162850.db2.gz LTZCNUWSOSMVEC-MAUKXSAKSA-N 1 1 285.435 3.425 20 30 CGEDMO CCN(CC[C@H]1CCC[N@H+]1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000124950504 187162851 /nfs/dbraw/zinc/16/28/51/187162851.db2.gz LTZCNUWSOSMVEC-MAUKXSAKSA-N 1 1 285.435 3.425 20 30 CGEDMO CC[N@H+](CC[C@H]1CCCN1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000124950504 187162852 /nfs/dbraw/zinc/16/28/52/187162852.db2.gz LTZCNUWSOSMVEC-MAUKXSAKSA-N 1 1 285.435 3.425 20 30 CGEDMO CC[N@@H+](CC[C@H]1CCCN1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000124950504 187162853 /nfs/dbraw/zinc/16/28/53/187162853.db2.gz LTZCNUWSOSMVEC-MAUKXSAKSA-N 1 1 285.435 3.425 20 30 CGEDMO CCc1noc(CC)c1C[NH2+]Cc1ccc(C#N)cc1F ZINC000269415631 190492921 /nfs/dbraw/zinc/49/29/21/190492921.db2.gz KLJYCFLDNARZEE-UHFFFAOYSA-N 1 1 287.338 3.100 20 30 CGEDMO N#Cc1c(F)cccc1C[NH+]1CCC(c2ccccn2)CC1 ZINC000589987139 346820352 /nfs/dbraw/zinc/82/03/52/346820352.db2.gz WPTRHUGEUWSCBH-UHFFFAOYSA-N 1 1 295.361 3.472 20 30 CGEDMO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCN(CC)C2)C1 ZINC000651692897 398270397 /nfs/dbraw/zinc/27/03/97/398270397.db2.gz WBKJEAVFRXJFRZ-OAGGEKHMSA-N 1 1 250.430 3.053 20 30 CGEDMO C[N@H+](Cc1nccc2ccccc21)CC(C)(C)C#N ZINC000590371863 346844932 /nfs/dbraw/zinc/84/49/32/346844932.db2.gz CEXOALMAZNYPRO-UHFFFAOYSA-N 1 1 253.349 3.216 20 30 CGEDMO C[N@@H+](Cc1nccc2ccccc21)CC(C)(C)C#N ZINC000590371863 346844933 /nfs/dbraw/zinc/84/49/33/346844933.db2.gz CEXOALMAZNYPRO-UHFFFAOYSA-N 1 1 253.349 3.216 20 30 CGEDMO C=CCC[C@@H]([NH2+][C@@H](C)CC1CCC1)C(=O)OCC ZINC000590661506 346861047 /nfs/dbraw/zinc/86/10/47/346861047.db2.gz FKCYZZLLVWSRTJ-GXTWGEPZSA-N 1 1 253.386 3.053 20 30 CGEDMO CCOc1ccc([C@@H](C)[NH2+]CC2(C#N)CCC2)cc1 ZINC000590711952 346866499 /nfs/dbraw/zinc/86/64/99/346866499.db2.gz IXOFBPJKEBRLML-CYBMUJFWSA-N 1 1 258.365 3.430 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2C)CC1(C)C ZINC000590757655 346872189 /nfs/dbraw/zinc/87/21/89/346872189.db2.gz JVGRZTRDSNLMAX-MRXNPFEDSA-N 1 1 272.392 3.114 20 30 CGEDMO N#CC1(CC[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)CCCCC1 ZINC000591011593 346894638 /nfs/dbraw/zinc/89/46/38/346894638.db2.gz ZJIQBMHKGABARO-OAHLLOKOSA-N 1 1 286.423 3.453 20 30 CGEDMO N#CC1(CCC[N@H+]2CC[C@H](C3CCC3)C2)CCOCC1 ZINC000591063409 346898106 /nfs/dbraw/zinc/89/81/06/346898106.db2.gz YAKDRPQKPWRLHH-INIZCTEOSA-N 1 1 276.424 3.209 20 30 CGEDMO C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1cc2n(n1)CCC2 ZINC000591241460 346910672 /nfs/dbraw/zinc/91/06/72/346910672.db2.gz VEBZYRDUQBSKNL-YVEFUNNKSA-N 1 1 292.386 3.039 20 30 CGEDMO Cc1[nH+]cn(CC#Cc2ccc(OC(F)(F)F)cc2)c1C ZINC000178673989 282224694 /nfs/dbraw/zinc/22/46/94/282224694.db2.gz MFLXYTCWHJMQDV-UHFFFAOYSA-N 1 1 294.276 3.450 20 30 CGEDMO N#Cc1cnccc1C[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000592069490 346958898 /nfs/dbraw/zinc/95/88/98/346958898.db2.gz RIUOSIWHGJKHBX-QGZVFWFLSA-N 1 1 291.398 3.408 20 30 CGEDMO N#Cc1cnccc1C[N@@H+](CC1CC1)C1CCCCC1 ZINC000592066936 346959096 /nfs/dbraw/zinc/95/90/96/346959096.db2.gz IZFKNFRMQMBNSK-UHFFFAOYSA-N 1 1 269.392 3.498 20 30 CGEDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1ccncc1C#N ZINC000592069204 346959677 /nfs/dbraw/zinc/95/96/77/346959677.db2.gz MYKLIYQBIINGSC-PBHICJAKSA-N 1 1 277.371 3.331 20 30 CGEDMO CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592150785 346966820 /nfs/dbraw/zinc/96/68/20/346966820.db2.gz IYCHXTNFGNXROT-HUUCEWRRSA-N 1 1 278.783 3.142 20 30 CGEDMO C=CCOc1ccccc1CNC[C@@H]1CCCC[N@H+](C)C1 ZINC000623655543 349856299 /nfs/dbraw/zinc/85/62/99/349856299.db2.gz ZECXCEPSDYOSFQ-INIZCTEOSA-N 1 1 288.435 3.073 20 30 CGEDMO Cc1cnccc1CC[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000592126538 346964775 /nfs/dbraw/zinc/96/47/75/346964775.db2.gz XGAHBYURRWPJFR-OAHLLOKOSA-N 1 1 279.387 3.497 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000592195759 346971361 /nfs/dbraw/zinc/97/13/61/346971361.db2.gz UTGKKGMRKMREKT-HNNXBMFYSA-N 1 1 284.403 3.400 20 30 CGEDMO CC[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)[C@H](C)CO1 ZINC000593063265 347034618 /nfs/dbraw/zinc/03/46/18/347034618.db2.gz SYHCDFHWUMKPAI-CABCVRRESA-N 1 1 264.413 3.350 20 30 CGEDMO C=C(C)CC[N@H+](CC(=O)OC(C)(C)C)CC1CC1 ZINC000593070720 347035308 /nfs/dbraw/zinc/03/53/08/347035308.db2.gz LMIVEZNRWVCRKO-UHFFFAOYSA-N 1 1 253.386 3.006 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1C[C@@H](C)OCC12CCC2 ZINC000593093864 347039157 /nfs/dbraw/zinc/03/91/57/347039157.db2.gz VUILVNXTDUYXBT-CQSZACIVSA-N 1 1 270.376 3.010 20 30 CGEDMO CCC[C@@H](C)[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000030269977 344922279 /nfs/dbraw/zinc/92/22/79/344922279.db2.gz IIRHCFVSJTVBDD-LLVKDONJSA-N 1 1 279.409 3.069 20 30 CGEDMO CC1CCC([N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000041894093 344974577 /nfs/dbraw/zinc/97/45/77/344974577.db2.gz CYYRXVZYVJKTTH-UHFFFAOYSA-N 1 1 299.418 3.397 20 30 CGEDMO C[N@H+](Cc1nc2ccccc2o1)Cc1ccc(C#N)cc1 ZINC000046527344 345040561 /nfs/dbraw/zinc/04/05/61/345040561.db2.gz BTXWPGPZMIOKJY-UHFFFAOYSA-N 1 1 277.327 3.331 20 30 CGEDMO C[N@@H+](Cc1nc2ccccc2o1)Cc1ccc(C#N)cc1 ZINC000046527344 345040564 /nfs/dbraw/zinc/04/05/64/345040564.db2.gz BTXWPGPZMIOKJY-UHFFFAOYSA-N 1 1 277.327 3.331 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C#N)cc1F)C1CCCC1 ZINC000046600724 345041701 /nfs/dbraw/zinc/04/17/01/345041701.db2.gz VWRLCWYAMUWAFO-UHFFFAOYSA-N 1 1 276.355 3.088 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCCO1 ZINC000047740177 345055453 /nfs/dbraw/zinc/05/54/53/345055453.db2.gz DQLCULKBMOMZSH-QGZVFWFLSA-N 1 1 272.392 3.339 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000047959663 345057618 /nfs/dbraw/zinc/05/76/18/345057618.db2.gz WRLASQLJECFMRH-MRXNPFEDSA-N 1 1 286.419 3.188 20 30 CGEDMO C[N@H+](Cc1cn2ccccc2c1C#N)CC1CCCC1 ZINC000064020670 345255608 /nfs/dbraw/zinc/25/56/08/345255608.db2.gz GXWSWGUKGOBLDX-UHFFFAOYSA-N 1 1 267.376 3.433 20 30 CGEDMO Cc1ccsc1C[N@@H+](C)CCOc1ccccc1C#N ZINC000060465066 345216646 /nfs/dbraw/zinc/21/66/46/345216646.db2.gz OMTZOPRJIFRORO-UHFFFAOYSA-N 1 1 286.400 3.439 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]1c1cccs1 ZINC000066562892 345300092 /nfs/dbraw/zinc/30/00/92/345300092.db2.gz BMDDBJUTHSQRRK-AWEZNQCLSA-N 1 1 290.432 3.086 20 30 CGEDMO C[C@@H](CC#N)[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000068609332 345357046 /nfs/dbraw/zinc/35/70/46/345357046.db2.gz TYMHYBWIEQAEEU-JTQLQIEISA-N 1 1 272.270 3.019 20 30 CGEDMO C[N@H+](Cc1cccc(Cl)c1)Cc1ccnc(C#N)c1 ZINC000068765953 345361625 /nfs/dbraw/zinc/36/16/25/345361625.db2.gz QYJYZRUULNAHDL-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO C[N@@H+](Cc1cccc(Cl)c1)Cc1ccnc(C#N)c1 ZINC000068765953 345361627 /nfs/dbraw/zinc/36/16/27/345361627.db2.gz QYJYZRUULNAHDL-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO N#Cc1cc(C[N@H+](Cc2cccs2)C2CC2)ccn1 ZINC000068766148 345361788 /nfs/dbraw/zinc/36/17/88/345361788.db2.gz WHUZNXJYYUHSSZ-UHFFFAOYSA-N 1 1 269.373 3.179 20 30 CGEDMO N#Cc1cc(C[N@@H+](Cc2cccs2)C2CC2)ccn1 ZINC000068766148 345361793 /nfs/dbraw/zinc/36/17/93/345361793.db2.gz WHUZNXJYYUHSSZ-UHFFFAOYSA-N 1 1 269.373 3.179 20 30 CGEDMO CC(C)C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C(C)C ZINC000075649369 345517511 /nfs/dbraw/zinc/51/75/11/345517511.db2.gz QVGZROPPKXNSLU-UHFFFAOYSA-N 1 1 298.390 3.475 20 30 CGEDMO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1CCCSCC#N ZINC000080629114 345680911 /nfs/dbraw/zinc/68/09/11/345680911.db2.gz WBGVOMGFQLABSW-GFCCVEGCSA-N 1 1 278.396 3.392 20 30 CGEDMO COc1ccc(C[N@@H+](C)Cc2ccsc2)cc1C#N ZINC000087833158 345757364 /nfs/dbraw/zinc/75/73/64/345757364.db2.gz ZWRFBWSEEZHOAO-UHFFFAOYSA-N 1 1 272.373 3.260 20 30 CGEDMO C=CCCC[C@@H](C)[NH+]1CCN(C2CCCC2)CC1 ZINC000091508277 345817177 /nfs/dbraw/zinc/81/71/77/345817177.db2.gz FJBWAAMKNLUVJB-OAHLLOKOSA-N 1 1 250.430 3.291 20 30 CGEDMO C=C(C)COCCNC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000090450905 345788248 /nfs/dbraw/zinc/78/82/48/345788248.db2.gz XDEFJPYWHRQHOJ-FUHWJXTLSA-N 1 1 294.483 3.212 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[N@@H+](C)[C@H](C)C2CC2)c1C#N ZINC000091066180 345802280 /nfs/dbraw/zinc/80/22/80/345802280.db2.gz OMJKIPNVTGVKEJ-CQSZACIVSA-N 1 1 294.402 3.283 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[N@H+](C)[C@H](C)C2CC2)c1C#N ZINC000091066180 345802283 /nfs/dbraw/zinc/80/22/83/345802283.db2.gz OMJKIPNVTGVKEJ-CQSZACIVSA-N 1 1 294.402 3.283 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCc3ccccc3C2)ccc1F ZINC000160461766 232245368 /nfs/dbraw/zinc/24/53/68/232245368.db2.gz NDIODNQMXWQUEZ-UHFFFAOYSA-N 1 1 266.319 3.256 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCc3ccccc3C2)ccc1F ZINC000160461766 232245369 /nfs/dbraw/zinc/24/53/69/232245369.db2.gz NDIODNQMXWQUEZ-UHFFFAOYSA-N 1 1 266.319 3.256 20 30 CGEDMO Cn1cccc1C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000093872507 345891656 /nfs/dbraw/zinc/89/16/56/345891656.db2.gz CXZVIZAVJOYKGT-ZWKOTPCHSA-N 1 1 279.387 3.297 20 30 CGEDMO Cn1cccc1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000093872507 345891657 /nfs/dbraw/zinc/89/16/57/345891657.db2.gz CXZVIZAVJOYKGT-ZWKOTPCHSA-N 1 1 279.387 3.297 20 30 CGEDMO C[C@H](CCO)[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000093303211 345874341 /nfs/dbraw/zinc/87/43/41/345874341.db2.gz WHKLIGBUEQWATF-MRXNPFEDSA-N 1 1 294.398 3.331 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000103142079 345920455 /nfs/dbraw/zinc/92/04/55/345920455.db2.gz UGTAHLVJYHTABM-LRDDRELGSA-N 1 1 258.340 3.462 20 30 CGEDMO CC[N@H+](CCOC1CCCCCC1)C[C@@H](C)C#N ZINC000122900058 346007087 /nfs/dbraw/zinc/00/70/87/346007087.db2.gz YIWGLEGEXZUOTN-AWEZNQCLSA-N 1 1 252.402 3.207 20 30 CGEDMO CC[N@@H+](CCOC1CCCCCC1)C[C@@H](C)C#N ZINC000122900058 346007090 /nfs/dbraw/zinc/00/70/90/346007090.db2.gz YIWGLEGEXZUOTN-AWEZNQCLSA-N 1 1 252.402 3.207 20 30 CGEDMO N#Cc1cccc(C[NH2+]Cc2ncccc2C(F)(F)F)c1 ZINC000152123188 346140386 /nfs/dbraw/zinc/14/03/86/346140386.db2.gz QHTQBBJDOXYKMR-UHFFFAOYSA-N 1 1 291.276 3.262 20 30 CGEDMO CC[C@H](CSC)[N@@H+](C)Cc1ccc(C#N)cc1C ZINC000165504325 346184716 /nfs/dbraw/zinc/18/47/16/346184716.db2.gz VSEDHMSVCCTJLC-OAHLLOKOSA-N 1 1 262.422 3.440 20 30 CGEDMO C=CCC[C@H]([NH2+]C1CCN(CC2CC2)CC1)C1CC1 ZINC000178677763 346252394 /nfs/dbraw/zinc/25/23/94/346252394.db2.gz SKZLZZTWZFIQDZ-KRWDZBQOSA-N 1 1 262.441 3.195 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc(Cl)c(Br)c2)CC1 ZINC000309645011 346469523 /nfs/dbraw/zinc/46/95/23/346469523.db2.gz QBQLJLWTXPUYFS-UHFFFAOYSA-N 1 1 299.599 3.496 20 30 CGEDMO C=CCOCCC[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000347971651 346509868 /nfs/dbraw/zinc/50/98/68/346509868.db2.gz OPGQDHIRJSCRQD-UHFFFAOYSA-N 1 1 288.435 3.311 20 30 CGEDMO C[C@@H]1Cc2c([nH+]cn2CCOc2ccc(C#N)cc2)C[C@@H]1C ZINC000319717446 346487912 /nfs/dbraw/zinc/48/79/12/346487912.db2.gz JWWMVHGCTDWMAG-UONOGXRCSA-N 1 1 295.386 3.205 20 30 CGEDMO N#CC1(C[NH2+]Cc2cnc3ccc(Cl)cn23)CCCC1 ZINC000593652804 347099163 /nfs/dbraw/zinc/09/91/63/347099163.db2.gz OBXWWXADSDUNEF-UHFFFAOYSA-N 1 1 288.782 3.161 20 30 CGEDMO N#CC1(C[NH2+]Cc2cncc(Br)c2)CCCC1 ZINC000593654552 347100905 /nfs/dbraw/zinc/10/09/05/347100905.db2.gz HTFDHXRFAYSUGV-UHFFFAOYSA-N 1 1 294.196 3.018 20 30 CGEDMO CC(C)O[C@@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000593657268 347101049 /nfs/dbraw/zinc/10/10/49/347101049.db2.gz CFVQISGMVVKSKH-CQSZACIVSA-N 1 1 252.402 3.206 20 30 CGEDMO CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1ccc(C#N)s1 ZINC000593660628 347101197 /nfs/dbraw/zinc/10/11/97/347101197.db2.gz KWIDLERXFBXJEZ-LLVKDONJSA-N 1 1 264.394 3.009 20 30 CGEDMO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1ccc(C#N)s1 ZINC000593660628 347101200 /nfs/dbraw/zinc/10/12/00/347101200.db2.gz KWIDLERXFBXJEZ-LLVKDONJSA-N 1 1 264.394 3.009 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCOc3ccccc3C2)cc1 ZINC000399144729 346586964 /nfs/dbraw/zinc/58/69/64/346586964.db2.gz WJQYKVGPZCZHJL-UHFFFAOYSA-N 1 1 278.355 3.147 20 30 CGEDMO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1ccc(CC#N)cc1 ZINC000403960792 346598258 /nfs/dbraw/zinc/59/82/58/346598258.db2.gz NJZHBCLJDORFOP-SJORKVTESA-N 1 1 272.392 3.142 20 30 CGEDMO C[C@H]1C[C@H](NCC(C)(C)C#N)CC[N@H+]1Cc1ccccc1 ZINC000405216989 346603564 /nfs/dbraw/zinc/60/35/64/346603564.db2.gz ITSUNYCBXPLDRO-DOTOQJQBSA-N 1 1 285.435 3.179 20 30 CGEDMO Cn1c[nH+]cc1CCCSc1cccc(C#N)c1 ZINC000582857768 346678731 /nfs/dbraw/zinc/67/87/31/346678731.db2.gz ZISXZTVHVHVWPX-UHFFFAOYSA-N 1 1 257.362 3.017 20 30 CGEDMO CC[C@H](NCC[N@@H+](C)C1CCCC1)c1ccc(C#N)cc1 ZINC000583604461 346680680 /nfs/dbraw/zinc/68/06/80/346680680.db2.gz ZWFUYCNMWUGMDM-SFHVURJKSA-N 1 1 285.435 3.473 20 30 CGEDMO CC[C@H]([NH2+]CCN(C)C1CCCC1)c1ccc(C#N)cc1 ZINC000583604461 346680686 /nfs/dbraw/zinc/68/06/86/346680686.db2.gz ZWFUYCNMWUGMDM-SFHVURJKSA-N 1 1 285.435 3.473 20 30 CGEDMO CCC[N@@H+]1CCC[C@H]1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000586795739 346736894 /nfs/dbraw/zinc/73/68/94/346736894.db2.gz WOPSLHIFSTUMQQ-PKOBYXMFSA-N 1 1 297.446 3.400 20 30 CGEDMO CCC[N@H+]1CCC[C@H]1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000586795739 346736900 /nfs/dbraw/zinc/73/69/00/346736900.db2.gz WOPSLHIFSTUMQQ-PKOBYXMFSA-N 1 1 297.446 3.400 20 30 CGEDMO Cc1cc(C#N)cc(N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000587455068 346742711 /nfs/dbraw/zinc/74/27/11/346742711.db2.gz YVKPVCYRAZMLKT-VNHYZAJKSA-N 1 1 286.423 3.040 20 30 CGEDMO CC[C@@H](C)C[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000119177433 370651084 /nfs/dbraw/zinc/65/10/84/370651084.db2.gz IXIXRBQPHGCFBA-CQSZACIVSA-N 1 1 260.381 3.053 20 30 CGEDMO CCC(CC)[N@@H+](CC)CCOc1ccccc1C#N ZINC000588977288 346779672 /nfs/dbraw/zinc/77/96/72/346779672.db2.gz LYFDQNJKBIXCTB-UHFFFAOYSA-N 1 1 260.381 3.448 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000589278948 346791983 /nfs/dbraw/zinc/79/19/83/346791983.db2.gz BYZQKSNRJVCBPE-GOSISDBHSA-N 1 1 284.403 3.396 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000589300233 346793047 /nfs/dbraw/zinc/79/30/47/346793047.db2.gz ILGUGSGZWLKPHN-MSOLQXFVSA-N 1 1 296.414 3.400 20 30 CGEDMO Cc1ccsc1C[N@@H+]1Cc2ccc(C#N)cc2C1 ZINC000594613362 347203858 /nfs/dbraw/zinc/20/38/58/347203858.db2.gz NZWTZUFBGKDPPY-UHFFFAOYSA-N 1 1 254.358 3.444 20 30 CGEDMO Cc1ccsc1C[N@H+]1Cc2ccc(C#N)cc2C1 ZINC000594613362 347203863 /nfs/dbraw/zinc/20/38/63/347203863.db2.gz NZWTZUFBGKDPPY-UHFFFAOYSA-N 1 1 254.358 3.444 20 30 CGEDMO C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1cnccn1 ZINC000594514617 347184577 /nfs/dbraw/zinc/18/45/77/347184577.db2.gz JQCSFBDNHPZOJR-CYBMUJFWSA-N 1 1 278.359 3.078 20 30 CGEDMO C[C@@H]1C[C@@H]([NH2+]C2(c3ccc(C#N)cc3)CCC2)c2nccn21 ZINC000594519047 347188377 /nfs/dbraw/zinc/18/83/77/347188377.db2.gz SCSCFMFUQBUSIO-CZUORRHYSA-N 1 1 292.386 3.430 20 30 CGEDMO CCCn1nccc1C[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000594948739 347238700 /nfs/dbraw/zinc/23/87/00/347238700.db2.gz BZHKMXONZLIXBH-KRWDZBQOSA-N 1 1 282.391 3.428 20 30 CGEDMO N#CC1(C[NH2+]Cc2cc3cnccc3o2)CCCCC1 ZINC000594981092 347247972 /nfs/dbraw/zinc/24/79/72/347247972.db2.gz GJARUSHPYRNVKU-UHFFFAOYSA-N 1 1 269.348 3.391 20 30 CGEDMO CC(C)[N@@H+](CCO[C@H]1CC1(F)F)Cc1ccc(C#N)cc1 ZINC000595297019 347288616 /nfs/dbraw/zinc/28/86/16/347288616.db2.gz OWPDKGIDDHUFHG-HNNXBMFYSA-N 1 1 294.345 3.193 20 30 CGEDMO CC[C@@H](N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(C#N)cc1 ZINC000595057320 347272459 /nfs/dbraw/zinc/27/24/59/347272459.db2.gz XBAVYUVINYHXAM-DLBZAZTESA-N 1 1 285.435 3.472 20 30 CGEDMO CC(C)n1ncc2cc(C[N@H+]3CCC[C@H](CC#N)C3)cnc21 ZINC000595613566 347327780 /nfs/dbraw/zinc/32/77/80/347327780.db2.gz FKQAFNBLLHSGGK-CQSZACIVSA-N 1 1 297.406 3.138 20 30 CGEDMO CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595611990 347327917 /nfs/dbraw/zinc/32/79/17/347327917.db2.gz RASJQOPHDWCAMS-GJZGRUSLSA-N 1 1 299.418 3.202 20 30 CGEDMO CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595611990 347327918 /nfs/dbraw/zinc/32/79/18/347327918.db2.gz RASJQOPHDWCAMS-GJZGRUSLSA-N 1 1 299.418 3.202 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000595619473 347328287 /nfs/dbraw/zinc/32/82/87/347328287.db2.gz BQOSAXXQXGPCJK-OAHLLOKOSA-N 1 1 272.779 3.317 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000595619473 347328290 /nfs/dbraw/zinc/32/82/90/347328290.db2.gz BQOSAXXQXGPCJK-OAHLLOKOSA-N 1 1 272.779 3.317 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2nsc3ccccc32)C1 ZINC000595623627 347329437 /nfs/dbraw/zinc/32/94/37/347329437.db2.gz VPGYMDKBDZUFRZ-LBPRGKRZSA-N 1 1 271.389 3.422 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2nsc3ccccc32)C1 ZINC000595623627 347329440 /nfs/dbraw/zinc/32/94/40/347329440.db2.gz VPGYMDKBDZUFRZ-LBPRGKRZSA-N 1 1 271.389 3.422 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)ccc1C ZINC000595623908 347329517 /nfs/dbraw/zinc/32/95/17/347329517.db2.gz YCYGMBZAYGQEKQ-AWEZNQCLSA-N 1 1 258.365 3.129 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000595660437 347334065 /nfs/dbraw/zinc/33/40/65/347334065.db2.gz QURZFBMMFJWEKM-OAHLLOKOSA-N 1 1 297.402 3.175 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000595659063 347334215 /nfs/dbraw/zinc/33/42/15/347334215.db2.gz JDWAZVLEQDZSSB-ZDUSSCGKSA-N 1 1 290.363 3.392 20 30 CGEDMO C[C@H]1COC2(CCCC2)C[N@H+]1Cc1ccc(C#N)cc1 ZINC000595816506 347359230 /nfs/dbraw/zinc/35/92/30/347359230.db2.gz XUEOCIRGNBAESN-AWEZNQCLSA-N 1 1 270.376 3.092 20 30 CGEDMO N#CCCC[N@@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000595712600 347345040 /nfs/dbraw/zinc/34/50/40/347345040.db2.gz NSTMAPMDTRFTNC-UHFFFAOYSA-N 1 1 283.400 3.472 20 30 CGEDMO N#CCCC[N@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000595712600 347345043 /nfs/dbraw/zinc/34/50/43/347345043.db2.gz NSTMAPMDTRFTNC-UHFFFAOYSA-N 1 1 283.400 3.472 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](CCF)C1 ZINC000595755892 347351413 /nfs/dbraw/zinc/35/14/13/347351413.db2.gz QUSNVCNOTUTCSN-AWEZNQCLSA-N 1 1 260.356 3.438 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)s1 ZINC000595788021 347355922 /nfs/dbraw/zinc/35/59/22/347355922.db2.gz MBRAWZGICRRTRZ-XJKSGUPXSA-N 1 1 290.432 3.401 20 30 CGEDMO C[C@H](N[C@H](C#N)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000595430401 347303067 /nfs/dbraw/zinc/30/30/67/347303067.db2.gz KAWXGGDGOOBEIM-VDZJLULYSA-N 1 1 297.446 3.494 20 30 CGEDMO Cc1ccc2c(c1)CC[N@H+](CCc1ccc(C#N)cc1)C2 ZINC000595455488 347305733 /nfs/dbraw/zinc/30/57/33/347305733.db2.gz QQXRCQJVKGPFIL-UHFFFAOYSA-N 1 1 276.383 3.468 20 30 CGEDMO CSC[C@H]1CCC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595510632 347313551 /nfs/dbraw/zinc/31/35/51/347313551.db2.gz LVWFEASZTMBPOP-INIZCTEOSA-N 1 1 274.433 3.176 20 30 CGEDMO CC(C)(C)[N@H+]1CC[C@H](CNc2cccc(F)c2C#N)C1 ZINC000596308416 347413843 /nfs/dbraw/zinc/41/38/43/347413843.db2.gz RWTLVDHABAZIQI-GFCCVEGCSA-N 1 1 275.371 3.230 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C(=O)OC)c(F)c1 ZINC000595844482 347367577 /nfs/dbraw/zinc/36/75/77/347367577.db2.gz FTGYMMHTHBPHIQ-OKILXGFUSA-N 1 1 289.350 3.295 20 30 CGEDMO C[C@H](NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cccc(C#N)c1 ZINC000596095911 347383242 /nfs/dbraw/zinc/38/32/42/347383242.db2.gz RBLSBUDVSVCQQM-YJBOKZPZSA-N 1 1 297.446 3.331 20 30 CGEDMO C[C@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(C#N)c1 ZINC000596095911 347383244 /nfs/dbraw/zinc/38/32/44/347383244.db2.gz RBLSBUDVSVCQQM-YJBOKZPZSA-N 1 1 297.446 3.331 20 30 CGEDMO Cc1c(Cl)cnc(N[C@H]2CC[N@H+](C(C)(C)C)C2)c1C#N ZINC000596337420 347423292 /nfs/dbraw/zinc/42/32/92/347423292.db2.gz WVPNAOAGYWOCHG-NSHDSACASA-N 1 1 292.814 3.200 20 30 CGEDMO CC1(C)C[N@@H+](CCCSCC#N)[C@H]1c1cccnc1 ZINC000596590517 347484422 /nfs/dbraw/zinc/48/44/22/347484422.db2.gz FFDVSKLYNBLWIR-AWEZNQCLSA-N 1 1 275.421 3.111 20 30 CGEDMO N#Cc1c(F)cccc1NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596570404 347481062 /nfs/dbraw/zinc/48/10/62/347481062.db2.gz KDNXCZCOTXXNJA-CQSZACIVSA-N 1 1 287.382 3.231 20 30 CGEDMO C[C@@H](CC#N)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000596824091 347513441 /nfs/dbraw/zinc/51/34/41/347513441.db2.gz HOOXEDJJKZAYIU-GJZGRUSLSA-N 1 1 299.418 3.407 20 30 CGEDMO CCC[C@H]1C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000597007279 347526611 /nfs/dbraw/zinc/52/66/11/347526611.db2.gz BXMONTKIWBQSGF-KRWDZBQOSA-N 1 1 284.403 3.243 20 30 CGEDMO CCC[C@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000597007279 347526613 /nfs/dbraw/zinc/52/66/13/347526613.db2.gz BXMONTKIWBQSGF-KRWDZBQOSA-N 1 1 284.403 3.243 20 30 CGEDMO C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)CCN1C ZINC000597012194 347527739 /nfs/dbraw/zinc/52/77/39/347527739.db2.gz PDYUSLLFXOMUFO-MAUKXSAKSA-N 1 1 297.446 3.156 20 30 CGEDMO C[C@H]1C[C@H](N(C)Cc2ccc(C3(C#N)CC3)cc2)CC[N@@H+]1C ZINC000597012194 347527753 /nfs/dbraw/zinc/52/77/53/347527753.db2.gz PDYUSLLFXOMUFO-MAUKXSAKSA-N 1 1 297.446 3.156 20 30 CGEDMO C[C@H]1C[C@H](N(C)Cc2ccc(C3(C#N)CC3)cc2)CC[N@H+]1C ZINC000597012194 347527755 /nfs/dbraw/zinc/52/77/55/347527755.db2.gz PDYUSLLFXOMUFO-MAUKXSAKSA-N 1 1 297.446 3.156 20 30 CGEDMO CCOC[C@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597025877 347528775 /nfs/dbraw/zinc/52/87/75/347528775.db2.gz ILAGYHGDILQSLZ-INIZCTEOSA-N 1 1 284.403 3.100 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000597076991 347533266 /nfs/dbraw/zinc/53/32/66/347533266.db2.gz RRNNXOPNBAOCLP-QGZVFWFLSA-N 1 1 284.403 3.099 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000597176954 347545468 /nfs/dbraw/zinc/54/54/68/347545468.db2.gz KAYVWYXHRBCXPK-KZTTYJGESA-N 1 1 258.340 3.465 20 30 CGEDMO COC[C@H]1CCCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597089234 347535915 /nfs/dbraw/zinc/53/59/15/347535915.db2.gz WDNCAYBIZZAZMN-KRWDZBQOSA-N 1 1 298.430 3.490 20 30 CGEDMO C[C@@]1(CCCO)CCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597132541 347538163 /nfs/dbraw/zinc/53/81/63/347538163.db2.gz KBNBQBYKHCFTQG-SFHVURJKSA-N 1 1 298.430 3.369 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CCC1)c1cc2cnccc2o1 ZINC000597152499 347540874 /nfs/dbraw/zinc/54/08/74/347540874.db2.gz BYHBXRHZFZQAFB-LLVKDONJSA-N 1 1 255.321 3.172 20 30 CGEDMO N#CC1(c2ccc(C[N@@H+]3CCC[C@H](F)C3)cc2)CC1 ZINC000597158173 347542627 /nfs/dbraw/zinc/54/26/27/347542627.db2.gz UTAXDZBMRLCYAE-HNNXBMFYSA-N 1 1 258.340 3.176 20 30 CGEDMO Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000597228860 347557503 /nfs/dbraw/zinc/55/75/03/347557503.db2.gz HJFBVWGDCFWIKV-KRWDZBQOSA-N 1 1 280.375 3.121 20 30 CGEDMO Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000597228860 347557504 /nfs/dbraw/zinc/55/75/04/347557504.db2.gz HJFBVWGDCFWIKV-KRWDZBQOSA-N 1 1 280.375 3.121 20 30 CGEDMO CC1(C)CC[C@@H](CO)[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000598646946 347674932 /nfs/dbraw/zinc/67/49/32/347674932.db2.gz INNGTGTWKZPVNW-HNNXBMFYSA-N 1 1 292.810 3.195 20 30 CGEDMO CC1(C)CC[C@@H](CO)[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000598646946 347674937 /nfs/dbraw/zinc/67/49/37/347674937.db2.gz INNGTGTWKZPVNW-HNNXBMFYSA-N 1 1 292.810 3.195 20 30 CGEDMO N#C[C@@H]1CC[C@H]([NH2+][C@H](C(F)F)C2CCCCC2)C1 ZINC000598650254 347675487 /nfs/dbraw/zinc/67/54/87/347675487.db2.gz JQGJDYAGKAXVDV-WXHSDQCUSA-N 1 1 256.340 3.482 20 30 CGEDMO CC1(c2ccccc2)C[NH+](Cc2ccc(C#N)cc2F)C1 ZINC000598677155 347677846 /nfs/dbraw/zinc/67/78/46/347677846.db2.gz MDOBCOFCPUVAIH-UHFFFAOYSA-N 1 1 280.346 3.471 20 30 CGEDMO Cc1ccc([C@H]2CCC[N@H+]2C[C@H](O)CC(C)(C)C#N)cc1 ZINC000598585005 347666580 /nfs/dbraw/zinc/66/65/80/347666580.db2.gz NHGFKGSLYCLQQB-IAGOWNOFSA-N 1 1 286.419 3.433 20 30 CGEDMO CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)[C@@H](C)c1ccc(C#N)cc1 ZINC000598586343 347666743 /nfs/dbraw/zinc/66/67/43/347666743.db2.gz GIEZZGLAJDTGNN-YOEHRIQHSA-N 1 1 299.418 3.242 20 30 CGEDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598592442 347667826 /nfs/dbraw/zinc/66/78/26/347667826.db2.gz ISDIREUEFFAOEO-DJIMGWMZSA-N 1 1 286.419 3.165 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000598618366 347671245 /nfs/dbraw/zinc/67/12/45/347671245.db2.gz WTENBPWGWUSXRK-TZMCWYRMSA-N 1 1 292.448 3.432 20 30 CGEDMO Cc1ccccc1C[C@@H](C)[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598613589 347671285 /nfs/dbraw/zinc/67/12/85/347671285.db2.gz KEEVYBNXRHOPDR-NVXWUHKLSA-N 1 1 288.435 3.159 20 30 CGEDMO CC(C)[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1CC(C)(C)C1 ZINC000598621617 347672031 /nfs/dbraw/zinc/67/20/31/347672031.db2.gz WJYZQUQMVATMNH-AWEZNQCLSA-N 1 1 266.429 3.186 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCCC2(CC2)CC1 ZINC000599673693 347763861 /nfs/dbraw/zinc/76/38/61/347763861.db2.gz WCYAIGGGYDALPB-UHFFFAOYSA-N 1 1 270.376 3.333 20 30 CGEDMO C/C=C\C[C@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000599689312 347766720 /nfs/dbraw/zinc/76/67/20/347766720.db2.gz IUZOUFMPEUGIEL-DLGQBQFBSA-N 1 1 261.394 3.193 20 30 CGEDMO C/C=C\C[C@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000599689312 347766723 /nfs/dbraw/zinc/76/67/23/347766723.db2.gz IUZOUFMPEUGIEL-DLGQBQFBSA-N 1 1 261.394 3.193 20 30 CGEDMO Cc1ccc(C[N@@H+](CCCO)Cc2ccccc2)cc1C#N ZINC000599319610 347735088 /nfs/dbraw/zinc/73/50/88/347735088.db2.gz NULWNVIUKIORQQ-UHFFFAOYSA-N 1 1 294.398 3.251 20 30 CGEDMO Cc1ccc(C[N@H+](C)[C@@H]2CCCc3c2cnn3C)cc1C#N ZINC000599340768 347736685 /nfs/dbraw/zinc/73/66/85/347736685.db2.gz PPVIHXVSEZJROH-QGZVFWFLSA-N 1 1 294.402 3.110 20 30 CGEDMO Cc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)cc1C#N ZINC000599436375 347745610 /nfs/dbraw/zinc/74/56/10/347745610.db2.gz JOMUTICMDNTEKZ-RTBURBONSA-N 1 1 292.382 3.175 20 30 CGEDMO Cc1ccc(C[N@H+]2C[C@H](C)OC3(CCC3)C2)cc1C#N ZINC000599452920 347746120 /nfs/dbraw/zinc/74/61/20/347746120.db2.gz ZDVROQGLSMHQAB-AWEZNQCLSA-N 1 1 270.376 3.010 20 30 CGEDMO Cc1ccc(C[N@@H+]2C[C@H](C)OC3(CCC3)C2)cc1C#N ZINC000599452920 347746121 /nfs/dbraw/zinc/74/61/21/347746121.db2.gz ZDVROQGLSMHQAB-AWEZNQCLSA-N 1 1 270.376 3.010 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000599528252 347750493 /nfs/dbraw/zinc/75/04/93/347750493.db2.gz CFOQMVHIANAPBC-ZDUSSCGKSA-N 1 1 290.363 3.392 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000599528250 347750561 /nfs/dbraw/zinc/75/05/61/347750561.db2.gz CFOQMVHIANAPBC-CYBMUJFWSA-N 1 1 290.363 3.392 20 30 CGEDMO COC(=O)[C@]1([NH2+]CCCC(C)(C)C#N)CCCC(C)(C)C1 ZINC000599558915 347754402 /nfs/dbraw/zinc/75/44/02/347754402.db2.gz PAJQJMSFTYIVJL-KRWDZBQOSA-N 1 1 294.439 3.418 20 30 CGEDMO C[C@@H]1C[N@@H+](CCC(C)(C)C#N)CC[C@H]1C(=O)OC(C)(C)C ZINC000599580892 347756303 /nfs/dbraw/zinc/75/63/03/347756303.db2.gz HFDFXHOFZIBQLO-ZIAGYGMSSA-N 1 1 294.439 3.226 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@H](C(=O)OC)[C@@H]2CCC[C@@H]21 ZINC000599649169 347761628 /nfs/dbraw/zinc/76/16/28/347761628.db2.gz SBZIOQBUIZQWSW-KKUMJFAQSA-N 1 1 265.397 3.006 20 30 CGEDMO C/C=C/C[C@@H]1CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000600212822 347794049 /nfs/dbraw/zinc/79/40/49/347794049.db2.gz ICFGXVXTVGKJJX-XYBNCVKDSA-N 1 1 294.402 3.384 20 30 CGEDMO C[N@H+]1CC[C@H](Nc2cccc(CC#N)c2)CC1(C)C ZINC000600169321 347788201 /nfs/dbraw/zinc/78/82/01/347788201.db2.gz RBHRUVASUYXHLY-HNNXBMFYSA-N 1 1 257.381 3.037 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2cc(C#N)cs2)C[C@H](C)C1(F)F ZINC000600183291 347790599 /nfs/dbraw/zinc/79/05/99/347790599.db2.gz KLYGHJNWWHXQQE-AOOOYVTPSA-N 1 1 270.348 3.343 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(C(=O)OC)c(CC)o2)C1 ZINC000600186069 347791073 /nfs/dbraw/zinc/79/10/73/347791073.db2.gz ODEBSEXDQCIEQG-GFCCVEGCSA-N 1 1 277.364 3.027 20 30 CGEDMO C[C@]1(C2CCCCC2)CC[N@H+]1C[C@@H](C#N)CCC#N ZINC000601963451 347929932 /nfs/dbraw/zinc/92/99/32/347929932.db2.gz TVDGOILKQFFURB-GDBMZVCRSA-N 1 1 259.397 3.475 20 30 CGEDMO CN(C)[C@@H](C[NH2+]Cc1cccc(F)c1C#N)c1ccccc1 ZINC000601994886 347931824 /nfs/dbraw/zinc/93/18/24/347931824.db2.gz CYOKWBAPBCNPND-SFHVURJKSA-N 1 1 297.377 3.090 20 30 CGEDMO COCC[N@H+](Cc1ccccc1)C[C@H](C)CCC#N ZINC000602435948 347957443 /nfs/dbraw/zinc/95/74/43/347957443.db2.gz WVBKOEAVYCFCCZ-OAHLLOKOSA-N 1 1 260.381 3.075 20 30 CGEDMO CC(C)[N@@H+](CCC[C@H]1CCO1)Cc1ccc(C#N)cc1 ZINC000602440751 347957956 /nfs/dbraw/zinc/95/79/56/347957956.db2.gz SVNISLPULDVRFR-KRWDZBQOSA-N 1 1 272.392 3.338 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCOc2ccccc2[C@@H]1C ZINC000602446761 347958995 /nfs/dbraw/zinc/95/89/95/347958995.db2.gz AHXBFLLHLDACMH-KBPBESRZSA-N 1 1 258.365 3.382 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000602442089 347959270 /nfs/dbraw/zinc/95/92/70/347959270.db2.gz UGOBHCWYZFZLNN-LLVKDONJSA-N 1 1 252.308 3.336 20 30 CGEDMO CC[C@H](O)C[N@H+](Cc1ccccc1)C[C@H](C)CCC#N ZINC000602475887 347964552 /nfs/dbraw/zinc/96/45/52/347964552.db2.gz MAMNDPWFTMTYGG-WBVHZDCISA-N 1 1 274.408 3.199 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000602480927 347966061 /nfs/dbraw/zinc/96/60/61/347966061.db2.gz AGVNFGQZVWGODE-LSDHHAIUSA-N 1 1 294.439 3.370 20 30 CGEDMO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1cccc(C#N)n1 ZINC000602478105 347966139 /nfs/dbraw/zinc/96/61/39/347966139.db2.gz WJHDLLJCZXDQCB-KSSFIOAISA-N 1 1 277.371 3.331 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCCC23CCCCC3)n1 ZINC000602480774 347966303 /nfs/dbraw/zinc/96/63/03/347966303.db2.gz BUVXKWFIBNLQIO-UHFFFAOYSA-N 1 1 255.365 3.252 20 30 CGEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cccc(C#N)n2)C1 ZINC000602485909 347967757 /nfs/dbraw/zinc/96/77/57/347967757.db2.gz RRNWOACYVCEZGF-HUUCEWRRSA-N 1 1 275.421 3.059 20 30 CGEDMO CC[C@@H]1Cc2ccccc2C[N@H+]1Cc1cccc(C#N)n1 ZINC000602612835 347993525 /nfs/dbraw/zinc/99/35/25/347993525.db2.gz UPCJABLVBGMTBQ-GOSISDBHSA-N 1 1 277.371 3.290 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000602614036 347994677 /nfs/dbraw/zinc/99/46/77/347994677.db2.gz AUJBBSRDTFNHQB-YJBOKZPZSA-N 1 1 286.419 3.199 20 30 CGEDMO CC(C)(C#N)CN[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602617727 347994807 /nfs/dbraw/zinc/99/48/07/347994807.db2.gz ZRODAYAVODCLLP-AEFFLSMTSA-N 1 1 297.446 3.494 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2Cc3ccccc3C3(CC3)C2)n1 ZINC000602618744 347995359 /nfs/dbraw/zinc/99/53/59/347995359.db2.gz FDJBUPFOWCCAOM-UHFFFAOYSA-N 1 1 275.355 3.001 20 30 CGEDMO N#Cc1cccc(C[N@H+]2Cc3ccccc3C3(CC3)C2)n1 ZINC000602618744 347995362 /nfs/dbraw/zinc/99/53/62/347995362.db2.gz FDJBUPFOWCCAOM-UHFFFAOYSA-N 1 1 275.355 3.001 20 30 CGEDMO COC(=O)[C@@H](CC1CCCCC1)[NH2+]C[C@H](C)CCC#N ZINC000602634711 347997715 /nfs/dbraw/zinc/99/77/15/347997715.db2.gz OHQKAQAVZYVHFO-UKRRQHHQSA-N 1 1 280.412 3.028 20 30 CGEDMO Cc1cc(F)ccc1C[N@H+](C)Cc1cccc(C#N)n1 ZINC000602631794 347997776 /nfs/dbraw/zinc/99/77/76/347997776.db2.gz RWSMGGSIKQSOPS-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO Cc1cc(F)ccc1C[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602631794 347997778 /nfs/dbraw/zinc/99/77/78/347997778.db2.gz RWSMGGSIKQSOPS-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO COC(=O)[C@H](CC1CCCCC1)[NH2+]C[C@@H](C)CCC#N ZINC000602634712 347997898 /nfs/dbraw/zinc/99/78/98/347997898.db2.gz OHQKAQAVZYVHFO-ZFWWWQNUSA-N 1 1 280.412 3.028 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000602639073 347998491 /nfs/dbraw/zinc/99/84/91/347998491.db2.gz ZHCULPLYMCHFEA-ZIAGYGMSSA-N 1 1 291.370 3.004 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CC2(CC#N)CC2)C1 ZINC000602784000 348028520 /nfs/dbraw/zinc/02/85/20/348028520.db2.gz GHQUKZMUEFVBMP-SJORKVTESA-N 1 1 289.467 3.267 20 30 CGEDMO CC(C)[N@H+](CC(=O)N1CCCCCC1)C[C@H](C)CCC#N ZINC000602656081 348001994 /nfs/dbraw/zinc/00/19/94/348001994.db2.gz ROGRZGYQLYYONR-MRXNPFEDSA-N 1 1 293.455 3.039 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](CCN(C)C)Cc1cccs1 ZINC000602663862 348004451 /nfs/dbraw/zinc/00/44/51/348004451.db2.gz UDZKKNPGGCHGLJ-CQSZACIVSA-N 1 1 279.453 3.052 20 30 CGEDMO C[C@H](CCC#N)CN(CC[NH+](C)C)Cc1cccs1 ZINC000602663862 348004454 /nfs/dbraw/zinc/00/44/54/348004454.db2.gz UDZKKNPGGCHGLJ-CQSZACIVSA-N 1 1 279.453 3.052 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000602672927 348005875 /nfs/dbraw/zinc/00/58/75/348005875.db2.gz RXGAGICUHYYULS-UKRRQHHQSA-N 1 1 257.381 3.404 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000602696816 348011232 /nfs/dbraw/zinc/01/12/32/348011232.db2.gz GSRPRHHQQRMVRN-RBSFLKMASA-N 1 1 294.439 3.226 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCSC[C@@H]1C1CCC1 ZINC000602698127 348011958 /nfs/dbraw/zinc/01/19/58/348011958.db2.gz YELFEDRDVXPIQW-GXTWGEPZSA-N 1 1 252.427 3.144 20 30 CGEDMO N#CCC1(C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000602787663 348029786 /nfs/dbraw/zinc/02/97/86/348029786.db2.gz WAIIDONLIUQGMU-DLBZAZTESA-N 1 1 279.387 3.452 20 30 CGEDMO N#CCC1(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000602787663 348029789 /nfs/dbraw/zinc/02/97/89/348029789.db2.gz WAIIDONLIUQGMU-DLBZAZTESA-N 1 1 279.387 3.452 20 30 CGEDMO CC[N@@H+](C[C@@H]1CCO[C@H]1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000602762312 348024712 /nfs/dbraw/zinc/02/47/12/348024712.db2.gz FXJWLPFQJHRLLN-ZQIUZPCESA-N 1 1 272.392 3.366 20 30 CGEDMO COCc1cc(C#N)ccc1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000603361853 348074129 /nfs/dbraw/zinc/07/41/29/348074129.db2.gz LNZJETZFZBKHFJ-KRWDZBQOSA-N 1 1 299.418 3.133 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccc(C(F)F)cc2)C[C@H](C)N1CC#N ZINC000602852962 348037691 /nfs/dbraw/zinc/03/76/91/348037691.db2.gz FCFYAWCUSQMTEU-BETUJISGSA-N 1 1 293.361 3.042 20 30 CGEDMO C[C@@H](CC#N)[NH2+]CCOc1cc(Cl)cc(Cl)c1 ZINC000602864144 348038493 /nfs/dbraw/zinc/03/84/93/348038493.db2.gz QXXLRBPCZONPGJ-VIFPVBQESA-N 1 1 273.163 3.264 20 30 CGEDMO N#CCCCC[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000602890077 348040897 /nfs/dbraw/zinc/04/08/97/348040897.db2.gz YNOHVJINHJDATI-OAHLLOKOSA-N 1 1 280.375 3.113 20 30 CGEDMO CC1(C)C[N@H+](CC2(CC#N)CC2)[C@@H]1c1ccncc1 ZINC000602904478 348042650 /nfs/dbraw/zinc/04/26/50/348042650.db2.gz VMIYWDIROBYFNC-CQSZACIVSA-N 1 1 255.365 3.158 20 30 CGEDMO CC1(C)C[N@@H+](CC2(CC#N)CC2)[C@@H]1c1ccncc1 ZINC000602904478 348042651 /nfs/dbraw/zinc/04/26/51/348042651.db2.gz VMIYWDIROBYFNC-CQSZACIVSA-N 1 1 255.365 3.158 20 30 CGEDMO Cc1n[nH]cc1C[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000602939746 348046249 /nfs/dbraw/zinc/04/62/49/348046249.db2.gz CILVOXDDBUBLPB-UHFFFAOYSA-N 1 1 282.391 3.151 20 30 CGEDMO CCOc1ccc(OCC[N@H+](C)[C@H]2CCC[C@H]2C#N)cc1 ZINC000602974896 348048297 /nfs/dbraw/zinc/04/82/97/348048297.db2.gz VPEUCMBLKCFACV-YOEHRIQHSA-N 1 1 288.391 3.088 20 30 CGEDMO CCOc1ccc(OCC[N@@H+](C)[C@H]2CCC[C@H]2C#N)cc1 ZINC000602974896 348048302 /nfs/dbraw/zinc/04/83/02/348048302.db2.gz VPEUCMBLKCFACV-YOEHRIQHSA-N 1 1 288.391 3.088 20 30 CGEDMO N#CC1(CC[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)CCCCC1 ZINC000602997377 348053654 /nfs/dbraw/zinc/05/36/54/348053654.db2.gz IRGRXVWEWXBDGK-ZACQAIPSSA-N 1 1 290.451 3.476 20 30 CGEDMO C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1nc2ccccc2n1C ZINC000610497335 348385287 /nfs/dbraw/zinc/38/52/87/348385287.db2.gz PEPZVTHJJBAXNT-LLVKDONJSA-N 1 1 296.399 3.357 20 30 CGEDMO C=CCCC[N@@H+](Cc1ccccc1)C[C@H](C)C(=O)OC ZINC000609800063 348353526 /nfs/dbraw/zinc/35/35/26/348353526.db2.gz FUYLTYICFYAOAV-HNNXBMFYSA-N 1 1 275.392 3.264 20 30 CGEDMO Cc1ccc(C[N@H+](C)[C@H](C)c2ccc(C#N)cc2)nc1 ZINC000610953119 348411259 /nfs/dbraw/zinc/41/12/59/348411259.db2.gz WGHVRDYZDCTMAV-CQSZACIVSA-N 1 1 265.360 3.455 20 30 CGEDMO CC[C@@H](C)[C@@H]1CCCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610993345 348414878 /nfs/dbraw/zinc/41/48/78/348414878.db2.gz NOTIHJYOGLWNHR-CJNGLKHVSA-N 1 1 257.381 3.354 20 30 CGEDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000610993746 348416324 /nfs/dbraw/zinc/41/63/24/348416324.db2.gz GLZSPKLMPFCIPR-SFHVURJKSA-N 1 1 279.387 3.406 20 30 CGEDMO CC[N@@H+](Cc1c[nH]nc1-c1cccc(OC)c1)C[C@H](C)C#N ZINC000611261123 348433639 /nfs/dbraw/zinc/43/36/39/348433639.db2.gz WUKJGKSQNIBJNS-CYBMUJFWSA-N 1 1 298.390 3.067 20 30 CGEDMO CC[N@H+](Cc1c[nH]nc1-c1cccc(OC)c1)C[C@H](C)C#N ZINC000611261123 348433640 /nfs/dbraw/zinc/43/36/40/348433640.db2.gz WUKJGKSQNIBJNS-CYBMUJFWSA-N 1 1 298.390 3.067 20 30 CGEDMO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1ccc(C#N)o1 ZINC000611561446 348461043 /nfs/dbraw/zinc/46/10/43/348461043.db2.gz ALOAGMFCRXELHV-ZJUUUORDSA-N 1 1 272.270 3.314 20 30 CGEDMO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1ccc(C#N)o1 ZINC000611561446 348461046 /nfs/dbraw/zinc/46/10/46/348461046.db2.gz ALOAGMFCRXELHV-ZJUUUORDSA-N 1 1 272.270 3.314 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612158074 348497691 /nfs/dbraw/zinc/49/76/91/348497691.db2.gz HKYPTLGMFGWHEK-BBRMVZONSA-N 1 1 253.349 3.245 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612158074 348497692 /nfs/dbraw/zinc/49/76/92/348497692.db2.gz HKYPTLGMFGWHEK-BBRMVZONSA-N 1 1 253.349 3.245 20 30 CGEDMO COc1cccc([C@H](C)[N@@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000612165485 348499322 /nfs/dbraw/zinc/49/93/22/348499322.db2.gz NJBQUQORAFEKKD-BBRMVZONSA-N 1 1 258.365 3.382 20 30 CGEDMO COc1cccc([C@H](C)[N@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000612165485 348499325 /nfs/dbraw/zinc/49/93/25/348499325.db2.gz NJBQUQORAFEKKD-BBRMVZONSA-N 1 1 258.365 3.382 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000612584879 348530403 /nfs/dbraw/zinc/53/04/03/348530403.db2.gz GDJVOBVFAROHPV-UHFFFAOYSA-N 1 1 263.410 3.440 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000613416488 348599443 /nfs/dbraw/zinc/59/94/43/348599443.db2.gz VLFLOISNZLSYPM-ULQDDVLXSA-N 1 1 290.451 3.088 20 30 CGEDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1Nc1nc(C(C)(C)C)ccc1C#N ZINC000613429517 348601787 /nfs/dbraw/zinc/60/17/87/348601787.db2.gz MFOLMHMUCNKADS-SWLSCSKDSA-N 1 1 298.434 3.145 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@H](Cc3ccncc3)C2)c1F ZINC000613180343 348571707 /nfs/dbraw/zinc/57/17/07/348571707.db2.gz WGHWQRNSZSGQCG-OAHLLOKOSA-N 1 1 295.361 3.157 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCOC(C)(C)C2)cc1 ZINC000614160088 348653286 /nfs/dbraw/zinc/65/32/86/348653286.db2.gz CGPUEUZJSKPWPX-UHFFFAOYSA-N 1 1 272.392 3.099 20 30 CGEDMO CN(Cc1ccc(C(C)(C)C#N)cc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000614166999 348654294 /nfs/dbraw/zinc/65/42/94/348654294.db2.gz WTIDSQIAOSTJCG-SFHVURJKSA-N 1 1 297.446 3.156 20 30 CGEDMO C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@H]1CCN(C2CC2)C1 ZINC000614166999 348654296 /nfs/dbraw/zinc/65/42/96/348654296.db2.gz WTIDSQIAOSTJCG-SFHVURJKSA-N 1 1 297.446 3.156 20 30 CGEDMO C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@H]1CCN(C2CC2)C1 ZINC000614166999 348654297 /nfs/dbraw/zinc/65/42/97/348654297.db2.gz WTIDSQIAOSTJCG-SFHVURJKSA-N 1 1 297.446 3.156 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](CCC(=O)OCC)C1 ZINC000614176129 348654893 /nfs/dbraw/zinc/65/48/93/348654893.db2.gz IJDVTIRPLBDHBA-CQSZACIVSA-N 1 1 253.386 3.008 20 30 CGEDMO CCC[C@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000614177555 348655256 /nfs/dbraw/zinc/65/52/56/348655256.db2.gz XWDCOSFNJLUTRP-KRWDZBQOSA-N 1 1 286.419 3.489 20 30 CGEDMO CCC[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000614177555 348655259 /nfs/dbraw/zinc/65/52/59/348655259.db2.gz XWDCOSFNJLUTRP-KRWDZBQOSA-N 1 1 286.419 3.489 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000614397964 348673058 /nfs/dbraw/zinc/67/30/58/348673058.db2.gz AOJRGMXVSZIJRE-MRXNPFEDSA-N 1 1 266.344 3.449 20 30 CGEDMO CC1(C)C[N@H+](Cc2ccc(C#N)c(F)c2)C(C)(C)CO1 ZINC000616755176 348877509 /nfs/dbraw/zinc/87/75/09/348877509.db2.gz IIEVDZVPDORGDK-UHFFFAOYSA-N 1 1 276.355 3.087 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)c(F)c2)C(C)(C)CO1 ZINC000616755176 348877513 /nfs/dbraw/zinc/87/75/13/348877513.db2.gz IIEVDZVPDORGDK-UHFFFAOYSA-N 1 1 276.355 3.087 20 30 CGEDMO C[NH+](C)[C@@H]1CCCN(Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000617573245 348975252 /nfs/dbraw/zinc/97/52/52/348975252.db2.gz PUSBHPWCWQQQQN-GOSISDBHSA-N 1 1 299.462 3.404 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000618666235 349136584 /nfs/dbraw/zinc/13/65/84/349136584.db2.gz XKMHJLGVDHMJKQ-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000618888356 349176439 /nfs/dbraw/zinc/17/64/39/349176439.db2.gz WIPMUWILUKVMAE-SJLPKXTDSA-N 1 1 286.419 3.260 20 30 CGEDMO CC(C)CC[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000619620091 349262678 /nfs/dbraw/zinc/26/26/78/349262678.db2.gz NHZUCSQMTZYWRI-UHFFFAOYSA-N 1 1 252.402 3.065 20 30 CGEDMO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000619672609 349268983 /nfs/dbraw/zinc/26/89/83/349268983.db2.gz KRJQPYXKJBPURQ-QYZOEREBSA-N 1 1 297.446 3.180 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2cn3ccccc3n2)cc1Cl ZINC000619748859 349281923 /nfs/dbraw/zinc/28/19/23/349281923.db2.gz WNWULVLNSOIQKD-UHFFFAOYSA-N 1 1 296.761 3.149 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000625700806 350198255 /nfs/dbraw/zinc/19/82/55/350198255.db2.gz MJCDRRBTFIPARS-LLVKDONJSA-N 1 1 275.377 3.196 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2c(C)cc(C)nc2OC)C1 ZINC000625701164 350198353 /nfs/dbraw/zinc/19/83/53/350198353.db2.gz HONAWHGKTCILKD-CQSZACIVSA-N 1 1 260.381 3.105 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000625704235 350200524 /nfs/dbraw/zinc/20/05/24/350200524.db2.gz WTYXUGSKISKDJB-MRXNPFEDSA-N 1 1 281.403 3.329 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2noc(-c3ccccc3)n2)C1 ZINC000625703618 350199618 /nfs/dbraw/zinc/19/96/18/350199618.db2.gz NRKSPFABWGDXFC-ZDUSSCGKSA-N 1 1 269.348 3.135 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2noc(-c3ccccc3)n2)C1 ZINC000625703618 350199621 /nfs/dbraw/zinc/19/96/21/350199621.db2.gz NRKSPFABWGDXFC-ZDUSSCGKSA-N 1 1 269.348 3.135 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CC(=O)Nc2cc(C)ccc2C)C1 ZINC000625703613 350199645 /nfs/dbraw/zinc/19/96/45/350199645.db2.gz NQPRCUXVYARBCX-OAHLLOKOSA-N 1 1 272.392 3.140 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2c(C3CCC3)cnn2C)C1 ZINC000628406564 350529295 /nfs/dbraw/zinc/52/92/95/350529295.db2.gz MIPFRQTYZBEIHK-CYBMUJFWSA-N 1 1 259.397 3.086 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cccc(O)c2Cl)C1 ZINC000628406321 350529575 /nfs/dbraw/zinc/52/95/75/350529575.db2.gz HJSSFUPTGNHFOR-NSHDSACASA-N 1 1 251.757 3.444 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000628405731 350529678 /nfs/dbraw/zinc/52/96/78/350529678.db2.gz SRIMPXNRLIWVPS-HNNXBMFYSA-N 1 1 271.408 3.080 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H](C(=O)NCCC)C1 ZINC000740876652 571890823 /nfs/dbraw/zinc/89/08/23/571890823.db2.gz XARSDRIXFFDEPC-OAHLLOKOSA-N 1 1 268.445 3.195 20 30 CGEDMO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000343550839 335209107 /nfs/dbraw/zinc/20/91/07/335209107.db2.gz LJTSMXSEEDKCKX-OLZOCXBDSA-N 1 1 260.406 3.078 20 30 CGEDMO C=CCOc1ccc(CN[C@@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000634733121 351578115 /nfs/dbraw/zinc/57/81/15/351578115.db2.gz XHEQPEPYDUNYON-MRXNPFEDSA-N 1 1 288.435 3.119 20 30 CGEDMO C=CCCc1ccccc1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635898329 351701347 /nfs/dbraw/zinc/70/13/47/351701347.db2.gz ZSHKVLJIAPIMKZ-CQSZACIVSA-N 1 1 272.392 3.086 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](CCC)Cc1ccc(C#N)cc1 ZINC000122978551 187063152 /nfs/dbraw/zinc/06/31/52/187063152.db2.gz MZOIKCFUCQDPKN-QGZVFWFLSA-N 1 1 272.392 3.097 20 30 CGEDMO C=CC[N@@H+](Cc1ccnn1CC)Cc1ccccc1 ZINC000123689808 187104776 /nfs/dbraw/zinc/10/47/76/187104776.db2.gz LMYDYMJDVPGVMX-UHFFFAOYSA-N 1 1 255.365 3.091 20 30 CGEDMO C=CC[N@H+](Cc1ccnn1CC)Cc1ccccc1 ZINC000123689808 187104777 /nfs/dbraw/zinc/10/47/77/187104777.db2.gz LMYDYMJDVPGVMX-UHFFFAOYSA-N 1 1 255.365 3.091 20 30 CGEDMO C=C(C)C[NH+]1CCC(N[C@@H](C)c2ccccc2OC)CC1 ZINC000152982114 188057162 /nfs/dbraw/zinc/05/71/62/188057162.db2.gz USEYOTBJKIHZRI-HNNXBMFYSA-N 1 1 288.435 3.386 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+](C)Cc1occc1C ZINC000292413628 198279256 /nfs/dbraw/zinc/27/92/56/198279256.db2.gz UVLXZIALKGPTNS-UHFFFAOYSA-N 1 1 270.332 3.100 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)Cc1occc1C ZINC000292413628 198279258 /nfs/dbraw/zinc/27/92/58/198279258.db2.gz UVLXZIALKGPTNS-UHFFFAOYSA-N 1 1 270.332 3.100 20 30 CGEDMO C=CC[N@H+](C)Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000154795294 188162629 /nfs/dbraw/zinc/16/26/29/188162629.db2.gz HCGWAGAUJKVNCM-UHFFFAOYSA-N 1 1 273.355 3.246 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)ccc1F ZINC000368789315 234340010 /nfs/dbraw/zinc/34/00/10/234340010.db2.gz CWKGRCGDZNNQIF-MRXNPFEDSA-N 1 1 288.366 3.088 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)ccc1F ZINC000368789315 234340012 /nfs/dbraw/zinc/34/00/12/234340012.db2.gz CWKGRCGDZNNQIF-MRXNPFEDSA-N 1 1 288.366 3.088 20 30 CGEDMO Cc1cnc(CC[N@@H+](C)CCCC(C)(C)C#N)s1 ZINC000157310002 188308899 /nfs/dbraw/zinc/30/88/99/188308899.db2.gz MMPXJNRWLRFTSF-UHFFFAOYSA-N 1 1 265.426 3.256 20 30 CGEDMO C[C@@]12CC[N@@H+](Cc3ccc(C#N)s3)C[C@@H]1C2(F)F ZINC000292707414 198383614 /nfs/dbraw/zinc/38/36/14/198383614.db2.gz CYUIMNFJMZVDQS-NWDGAFQWSA-N 1 1 268.332 3.097 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCCCNc1ncc(C#N)cc1F ZINC000413057008 235247964 /nfs/dbraw/zinc/24/79/64/235247964.db2.gz FACYXVYFWFIQSZ-ZDUSSCGKSA-N 1 1 290.386 3.159 20 30 CGEDMO C[C@H](CNc1ncc(C#N)cc1F)[N@@H+](C)Cc1ccccc1 ZINC000413142959 235254234 /nfs/dbraw/zinc/25/42/34/235254234.db2.gz LBSVQQFMXZTLBJ-CYBMUJFWSA-N 1 1 298.365 3.025 20 30 CGEDMO C[C@@H](Nc1ncccc1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272969726 192001621 /nfs/dbraw/zinc/00/16/21/192001621.db2.gz OHFVVMCFBJQVDS-UKRRQHHQSA-N 1 1 284.407 3.018 20 30 CGEDMO C#CCCC[N@H+](C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273546299 192196298 /nfs/dbraw/zinc/19/62/98/192196298.db2.gz UQVPJAKRDXHPOE-SJORKVTESA-N 1 1 275.367 3.391 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)c1 ZINC000093690381 138348313 /nfs/dbraw/zinc/34/83/13/138348313.db2.gz YFSKAZGHBCDCFG-UONOGXRCSA-N 1 1 278.446 3.480 20 30 CGEDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000125531355 138383244 /nfs/dbraw/zinc/38/32/44/138383244.db2.gz YEBQASPQRIREDU-ZDUSSCGKSA-N 1 1 298.361 3.466 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCOCC(F)(F)F ZINC000425531497 236257874 /nfs/dbraw/zinc/25/78/74/236257874.db2.gz HOCPVXNWUNOKSU-LLVKDONJSA-N 1 1 286.297 3.130 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1CCO[C@H](C)C1 ZINC000425367012 236239067 /nfs/dbraw/zinc/23/90/67/236239067.db2.gz RLHJRLRCSQEMPP-FMKPAKJESA-N 1 1 272.392 3.366 20 30 CGEDMO Cc1cc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)on1 ZINC000425542024 236259062 /nfs/dbraw/zinc/25/90/62/236259062.db2.gz XPMYWVREUKZWGW-GFCCVEGCSA-N 1 1 255.321 3.048 20 30 CGEDMO Cc1cc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)on1 ZINC000425542024 236259063 /nfs/dbraw/zinc/25/90/63/236259063.db2.gz XPMYWVREUKZWGW-GFCCVEGCSA-N 1 1 255.321 3.048 20 30 CGEDMO CO[C@@]1(C)C[C@H]([N@H+](C)Cc2cccc(F)c2C#N)C1(C)C ZINC000428255553 236384345 /nfs/dbraw/zinc/38/43/45/236384345.db2.gz KSJKRSKLYVARPK-RDJZCZTQSA-N 1 1 290.382 3.333 20 30 CGEDMO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2cccc(F)c2C#N)C1(C)C ZINC000428255553 236384348 /nfs/dbraw/zinc/38/43/48/236384348.db2.gz KSJKRSKLYVARPK-RDJZCZTQSA-N 1 1 290.382 3.333 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2ccc(C#N)c(C)c2)CC1(C)C ZINC000336208792 213030860 /nfs/dbraw/zinc/03/08/60/213030860.db2.gz HYRIAOHQNWCPDY-INIZCTEOSA-N 1 1 272.392 3.114 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3ccncc3)C2)cc1F ZINC000336264854 213102852 /nfs/dbraw/zinc/10/28/52/213102852.db2.gz QUUUHMGGZXOZPQ-KRWDZBQOSA-N 1 1 295.361 3.472 20 30 CGEDMO CC[C@H](C)C[N@@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000177158773 189033017 /nfs/dbraw/zinc/03/30/17/189033017.db2.gz VZLZTYVHAIAGCK-JTQLQIEISA-N 1 1 293.436 3.153 20 30 CGEDMO Cc1sc(NC(=O)C[N@@H+]2CCCC2(C)C)c(C#N)c1C ZINC000177114926 189030069 /nfs/dbraw/zinc/03/00/69/189030069.db2.gz OBBPBZFXWFNISC-UHFFFAOYSA-N 1 1 291.420 3.050 20 30 CGEDMO Cc1sc(NC(=O)C[N@H+]2CCCC2(C)C)c(C#N)c1C ZINC000177114926 189030070 /nfs/dbraw/zinc/03/00/70/189030070.db2.gz OBBPBZFXWFNISC-UHFFFAOYSA-N 1 1 291.420 3.050 20 30 CGEDMO C[C@H]([N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1)C1(C)CC1 ZINC000177229858 189037851 /nfs/dbraw/zinc/03/78/51/189037851.db2.gz JBQUOQHDRFJHRX-ZDUSSCGKSA-N 1 1 285.391 3.007 20 30 CGEDMO C#CCOc1ccccc1C[N@H+](C)Cc1scnc1C ZINC000179428553 189193886 /nfs/dbraw/zinc/19/38/86/189193886.db2.gz NNEGFZHKENQSDO-UHFFFAOYSA-N 1 1 286.400 3.096 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+](C)Cc1scnc1C ZINC000179428553 189193887 /nfs/dbraw/zinc/19/38/87/189193887.db2.gz NNEGFZHKENQSDO-UHFFFAOYSA-N 1 1 286.400 3.096 20 30 CGEDMO CCCC[N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000179868148 189225439 /nfs/dbraw/zinc/22/54/39/189225439.db2.gz OMCRIITULZJEQE-UHFFFAOYSA-N 1 1 282.391 3.191 20 30 CGEDMO COc1ccc(C[N@H+](Cc2ccccn2)C2CC2)cc1C#N ZINC000180864617 189280799 /nfs/dbraw/zinc/28/07/99/189280799.db2.gz QDHNTFBRHVUQRQ-UHFFFAOYSA-N 1 1 293.370 3.126 20 30 CGEDMO COc1ccc(C[N@@H+](Cc2ccccn2)C2CC2)cc1C#N ZINC000180864617 189280800 /nfs/dbraw/zinc/28/08/00/189280800.db2.gz QDHNTFBRHVUQRQ-UHFFFAOYSA-N 1 1 293.370 3.126 20 30 CGEDMO CCc1cnc(C[NH2+][C@H](C)c2ccc(C#N)cc2)s1 ZINC000181834455 189307923 /nfs/dbraw/zinc/30/79/23/189307923.db2.gz XHSYYXZQOOOKAT-LLVKDONJSA-N 1 1 271.389 3.428 20 30 CGEDMO COC[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccco1 ZINC000181848997 189308262 /nfs/dbraw/zinc/30/82/62/189308262.db2.gz WOQSXCALMOKPTD-SWLSCSKDSA-N 1 1 270.332 3.190 20 30 CGEDMO N#Cc1ccc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000301484349 201024625 /nfs/dbraw/zinc/02/46/25/201024625.db2.gz YKCPGAAHUJRKOT-KRWDZBQOSA-N 1 1 269.392 3.235 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2ccc3c(n2)CCCC3)s1 ZINC000444040057 370693853 /nfs/dbraw/zinc/69/38/53/370693853.db2.gz ZGDFKTRVQYHQHF-UHFFFAOYSA-N 1 1 283.400 3.183 20 30 CGEDMO C[N@@H+](CCNc1ccc(C#N)cc1)Cc1ccc(F)cc1 ZINC000301553597 201064746 /nfs/dbraw/zinc/06/47/46/201064746.db2.gz RNQSCDQKAPCOFT-UHFFFAOYSA-N 1 1 283.350 3.241 20 30 CGEDMO C[N@H+]1CC[C@H](Nc2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000301820653 201216385 /nfs/dbraw/zinc/21/63/85/201216385.db2.gz BBISFXAHTMAFSL-ROUUACIJSA-N 1 1 277.371 3.416 20 30 CGEDMO CC(C)(C#N)CCC[N@@H+](C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000119884423 370719397 /nfs/dbraw/zinc/71/93/97/370719397.db2.gz QUMIRVQEBCCSAN-HUUCEWRRSA-N 1 1 296.480 3.303 20 30 CGEDMO N#CCCCC[N@H+]1CCC[C@@H]1c1nnc(-c2ccccc2)[n-]1 ZINC000120255104 370753591 /nfs/dbraw/zinc/75/35/91/370753591.db2.gz QCMKATMBIPYFQL-OAHLLOKOSA-N 1 1 295.390 3.302 20 30 CGEDMO CC(C)[C@@H]1[N@@H+](Cc2cc(C#N)cs2)CC12CCOCC2 ZINC000335641721 212357714 /nfs/dbraw/zinc/35/77/14/212357714.db2.gz XQADJCXHCPTTQT-HNNXBMFYSA-N 1 1 290.432 3.257 20 30 CGEDMO C=C(CC)C[N@H+](CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000358503900 260651099 /nfs/dbraw/zinc/65/10/99/260651099.db2.gz FDFYWEMCUKWGIR-UHFFFAOYSA-N 1 1 274.408 3.177 20 30 CGEDMO Cc1cc(Cn2c[nH+]c3c2C[C@@H](C)[C@@H](C)C3)ccc1C#N ZINC000450996708 240187100 /nfs/dbraw/zinc/18/71/00/240187100.db2.gz GYEQBUALARSJQV-QWHCGFSZSA-N 1 1 279.387 3.482 20 30 CGEDMO C[C@]1(F)CCC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000451118488 240223229 /nfs/dbraw/zinc/22/32/29/240223229.db2.gz YDCUOBJGJMGHFZ-INIZCTEOSA-N 1 1 276.355 3.151 20 30 CGEDMO C=C1CC[NH+](Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000275757011 193121604 /nfs/dbraw/zinc/12/16/04/193121604.db2.gz UAASCTYNIQZRNA-UHFFFAOYSA-N 1 1 285.366 3.223 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+](CC1CC1)CC1CCC1 ZINC000459441071 242110366 /nfs/dbraw/zinc/11/03/66/242110366.db2.gz KUBONNLBINRXOJ-UHFFFAOYSA-N 1 1 299.374 3.479 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)C(=O)N[C@@H](CCC)c1ccccc1 ZINC000121458167 370862619 /nfs/dbraw/zinc/86/26/19/370862619.db2.gz VVMVRWBSVRLPCD-HOCLYGCPSA-N 1 1 274.408 3.150 20 30 CGEDMO COC[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccc(C)o1 ZINC000353278347 220003913 /nfs/dbraw/zinc/00/39/13/220003913.db2.gz WUDHISJCHOAGSW-IAGOWNOFSA-N 1 1 296.370 3.424 20 30 CGEDMO C[N@H+](CC#Cc1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000122084684 370902844 /nfs/dbraw/zinc/90/28/44/370902844.db2.gz FZZXDNKVGRFYBX-UHFFFAOYSA-N 1 1 278.330 3.181 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000122084684 370902848 /nfs/dbraw/zinc/90/28/48/370902848.db2.gz FZZXDNKVGRFYBX-UHFFFAOYSA-N 1 1 278.330 3.181 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)N(C)Cc1ccccc1C ZINC000125941783 370942676 /nfs/dbraw/zinc/94/26/76/370942676.db2.gz NPDJMZZQJKRKAF-MRXNPFEDSA-N 1 1 288.435 3.240 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1C ZINC000126076771 370942797 /nfs/dbraw/zinc/94/27/97/370942797.db2.gz KASWHXVEGYWOMS-MRXNPFEDSA-N 1 1 286.419 3.016 20 30 CGEDMO C[N@@H+](CCCOc1cccc(C#N)c1)Cc1ccccc1 ZINC000034674009 368976163 /nfs/dbraw/zinc/97/61/63/368976163.db2.gz UIISSYIUUJVMSS-UHFFFAOYSA-N 1 1 280.371 3.459 20 30 CGEDMO CC[N@H+]1CCC[C@@H]1CNc1c(C#N)cnc2ccccc21 ZINC000037413197 369084021 /nfs/dbraw/zinc/08/40/21/369084021.db2.gz JZPUTYCMZIFEFB-CQSZACIVSA-N 1 1 280.375 3.003 20 30 CGEDMO CC(C)C[N@@H+](CCC(=O)Nc1ccccc1C#N)C1CC1 ZINC000042556972 369225633 /nfs/dbraw/zinc/22/56/33/369225633.db2.gz PKBQPKWIBKCONQ-UHFFFAOYSA-N 1 1 285.391 3.007 20 30 CGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H]2C2CCCC2)cc1 ZINC000045073647 369275349 /nfs/dbraw/zinc/27/53/49/369275349.db2.gz YDQKULJHVOPUHV-QZTJIDSGSA-N 1 1 284.403 3.246 20 30 CGEDMO C=C(C)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000050963757 369445053 /nfs/dbraw/zinc/44/50/53/369445053.db2.gz KODBNUWXTKUPOU-INIZCTEOSA-N 1 1 263.356 3.383 20 30 CGEDMO C=CCc1cc(C[N@@H+](C)CC2CCC2)cc(OC)c1O ZINC000127754974 370956532 /nfs/dbraw/zinc/95/65/32/370956532.db2.gz JFOKWGKVAHQBCN-UHFFFAOYSA-N 1 1 275.392 3.361 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(F)cc1)Cc1ccccc1 ZINC000127677535 370956788 /nfs/dbraw/zinc/95/67/88/370956788.db2.gz VJCRFHGHVCYYOR-UHFFFAOYSA-N 1 1 253.320 3.309 20 30 CGEDMO C=C(C)CN(CC)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000128736331 370965506 /nfs/dbraw/zinc/96/55/06/370965506.db2.gz VUBQPKFMSZTTQR-MRXNPFEDSA-N 1 1 295.471 3.249 20 30 CGEDMO CC[N@H+](CCOc1ccc(Cl)cc1)C[C@H](C)C#N ZINC000059950070 369582805 /nfs/dbraw/zinc/58/28/05/369582805.db2.gz CCOMIAARVZULTB-GFCCVEGCSA-N 1 1 266.772 3.200 20 30 CGEDMO CC[N@@H+](CCOc1ccc(Cl)cc1)C[C@H](C)C#N ZINC000059950070 369582811 /nfs/dbraw/zinc/58/28/11/369582811.db2.gz CCOMIAARVZULTB-GFCCVEGCSA-N 1 1 266.772 3.200 20 30 CGEDMO C=CCC[N@@H+](C)Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000276356561 193299080 /nfs/dbraw/zinc/29/90/80/193299080.db2.gz FCOWSXSTXGITCT-UHFFFAOYSA-N 1 1 277.393 3.022 20 30 CGEDMO C=CCC[N@H+](C)Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000276356561 193299082 /nfs/dbraw/zinc/29/90/82/193299082.db2.gz FCOWSXSTXGITCT-UHFFFAOYSA-N 1 1 277.393 3.022 20 30 CGEDMO C=CCC[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1ccco1 ZINC000276389569 193311406 /nfs/dbraw/zinc/31/14/06/193311406.db2.gz BIADKSLJTRDBBU-ZBFHGGJFSA-N 1 1 274.408 3.361 20 30 CGEDMO C=CCC[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccco1 ZINC000276389569 193311412 /nfs/dbraw/zinc/31/14/12/193311412.db2.gz BIADKSLJTRDBBU-ZBFHGGJFSA-N 1 1 274.408 3.361 20 30 CGEDMO CC[N@H+]1CCC[C@@H]1CNc1cc(Cl)ccc1C#N ZINC000062785226 369630384 /nfs/dbraw/zinc/63/03/84/369630384.db2.gz WWCFEWZWGXACNA-CYBMUJFWSA-N 1 1 263.772 3.108 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)Nc1cccc(Cl)c1C ZINC000276432549 193329002 /nfs/dbraw/zinc/32/90/02/193329002.db2.gz NUDFUKNHUMCJDA-UHFFFAOYSA-N 1 1 266.772 3.095 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccc(C(=O)OC)o1 ZINC000065959769 369687172 /nfs/dbraw/zinc/68/71/72/369687172.db2.gz BCXTZNPIIKRORJ-UHFFFAOYSA-N 1 1 299.370 3.297 20 30 CGEDMO CC1CC[NH+](C[C@H]2CCCN(CCCCC#N)C2)CC1 ZINC000069608397 369765335 /nfs/dbraw/zinc/76/53/35/369765335.db2.gz MYZXZKOORWQAGC-KRWDZBQOSA-N 1 1 277.456 3.124 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000073437262 369858986 /nfs/dbraw/zinc/85/89/86/369858986.db2.gz KOQGLCJFYNZTEU-AWEZNQCLSA-N 1 1 283.375 3.015 20 30 CGEDMO CC[N@@H+](Cc1ccccc1C)C[C@H](C#N)CCC#N ZINC000075733667 369916937 /nfs/dbraw/zinc/91/69/37/369916937.db2.gz ZYAWXYLWRAOSJZ-HNNXBMFYSA-N 1 1 255.365 3.260 20 30 CGEDMO CC[N@H+](Cc1ccccc1C)C[C@H](C#N)CCC#N ZINC000075733667 369916940 /nfs/dbraw/zinc/91/69/40/369916940.db2.gz ZYAWXYLWRAOSJZ-HNNXBMFYSA-N 1 1 255.365 3.260 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000076736240 369941171 /nfs/dbraw/zinc/94/11/71/369941171.db2.gz KTSULQDSDFGPTP-UHFFFAOYSA-N 1 1 264.325 3.001 20 30 CGEDMO CC(C)[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C1CCC1 ZINC000077359134 369946267 /nfs/dbraw/zinc/94/62/67/369946267.db2.gz MKBBHKCOQWXJQF-UHFFFAOYSA-N 1 1 299.418 3.196 20 30 CGEDMO C#CC[NH2+]C(c1cccc(OC)c1)c1cccc(OC)c1 ZINC000085280676 370017448 /nfs/dbraw/zinc/01/74/48/370017448.db2.gz YXAKOOYWYBMBMD-UHFFFAOYSA-N 1 1 281.355 3.016 20 30 CGEDMO C[C@@H]([NH2+][C@@H](C)c1nccs1)c1ccc(C#N)cc1 ZINC000080267868 369985827 /nfs/dbraw/zinc/98/58/27/369985827.db2.gz NOQSZUMNDDKSOM-MNOVXSKESA-N 1 1 257.362 3.427 20 30 CGEDMO N#CCC[C@@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000090664780 370063318 /nfs/dbraw/zinc/06/33/18/370063318.db2.gz YSKCGWHQUKCFGC-RCCFBDPRSA-N 1 1 283.419 3.248 20 30 CGEDMO C[C@@H](c1ccccn1)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000091704064 370075902 /nfs/dbraw/zinc/07/59/02/370075902.db2.gz CDOPAOJUBYSOEX-AWEZNQCLSA-N 1 1 268.335 3.265 20 30 CGEDMO C[C@@H](c1ccccn1)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000091704064 370075907 /nfs/dbraw/zinc/07/59/07/370075907.db2.gz CDOPAOJUBYSOEX-AWEZNQCLSA-N 1 1 268.335 3.265 20 30 CGEDMO C=CC[N@@H+](Cc1ccn(C)c1)Cc1ccccc1F ZINC000092404579 370096621 /nfs/dbraw/zinc/09/66/21/370096621.db2.gz XVYJSUIGHIBJKD-UHFFFAOYSA-N 1 1 258.340 3.352 20 30 CGEDMO C=CC[N@H+](Cc1ccn(C)c1)Cc1ccccc1F ZINC000092404579 370096624 /nfs/dbraw/zinc/09/66/24/370096624.db2.gz XVYJSUIGHIBJKD-UHFFFAOYSA-N 1 1 258.340 3.352 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)CC(C)(C)CCC#N ZINC000092568026 370097947 /nfs/dbraw/zinc/09/79/47/370097947.db2.gz RFSYVQMSBLYLHP-UHFFFAOYSA-N 1 1 299.418 3.337 20 30 CGEDMO COc1ccccc1C[C@H](C)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000093102323 370109692 /nfs/dbraw/zinc/10/96/92/370109692.db2.gz LVNLKQNIOHYMPJ-ZDUSSCGKSA-N 1 1 284.359 3.223 20 30 CGEDMO COc1ccccc1[C@H]1CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000093593230 370144173 /nfs/dbraw/zinc/14/41/73/370144173.db2.gz NHEKDYHHYKYDAG-ZDUSSCGKSA-N 1 1 282.343 3.149 20 30 CGEDMO C#CC[N@H+](Cc1ccc(NC(C)=O)cc1)C1CCCC1 ZINC000093819764 370161623 /nfs/dbraw/zinc/16/16/23/370161623.db2.gz ZYQNNIJRCAMQIB-UHFFFAOYSA-N 1 1 270.376 3.023 20 30 CGEDMO Cn1ccnc1C[C@@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000097139211 370231049 /nfs/dbraw/zinc/23/10/49/370231049.db2.gz NQJXXUDGFMFLDS-HNNXBMFYSA-N 1 1 288.439 3.005 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000103142395 370319421 /nfs/dbraw/zinc/31/94/21/370319421.db2.gz IJGWVGDNSSMTNF-GOSISDBHSA-N 1 1 295.361 3.384 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000103142395 370319423 /nfs/dbraw/zinc/31/94/23/370319423.db2.gz IJGWVGDNSSMTNF-GOSISDBHSA-N 1 1 295.361 3.384 20 30 CGEDMO C[C@@H]1SCC[N@@H+](CCCC#N)[C@H]1c1ccccc1 ZINC000118422162 370617109 /nfs/dbraw/zinc/61/71/09/370617109.db2.gz LUEXPMIJBCLOBT-DZGCQCFKSA-N 1 1 260.406 3.469 20 30 CGEDMO CCn1cc(C[NH2+][C@@H](CCC#N)c2ccccc2)cn1 ZINC000130415727 371032345 /nfs/dbraw/zinc/03/23/45/371032345.db2.gz NOMKTPXYRPMNPS-INIZCTEOSA-N 1 1 268.364 3.038 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(C(=O)OC)sc1C ZINC000130956182 371072594 /nfs/dbraw/zinc/07/25/94/371072594.db2.gz ROXLBYQZEQJCMY-UHFFFAOYSA-N 1 1 267.394 3.241 20 30 CGEDMO C[N@H+](CCC(C)(C)C#N)Cc1cnn(-c2ccccc2)c1 ZINC000130996770 371075694 /nfs/dbraw/zinc/07/56/94/371075694.db2.gz VICXJFNQZVDCRK-UHFFFAOYSA-N 1 1 282.391 3.244 20 30 CGEDMO C[N@@H+](CCC(C)(C)C#N)Cc1cnn(-c2ccccc2)c1 ZINC000130996770 371075700 /nfs/dbraw/zinc/07/57/00/371075700.db2.gz VICXJFNQZVDCRK-UHFFFAOYSA-N 1 1 282.391 3.244 20 30 CGEDMO CCCN(Cc1ccc(C#N)cc1)c1cc(C)[nH+]c(C)n1 ZINC000133539203 371260434 /nfs/dbraw/zinc/26/04/34/371260434.db2.gz VWZQNBYKVFJDON-UHFFFAOYSA-N 1 1 280.375 3.382 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(F)c(F)c1 ZINC000135123066 371392689 /nfs/dbraw/zinc/39/26/89/371392689.db2.gz UZMZGJVLGXSCOB-VIFPVBQESA-N 1 1 262.259 3.280 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@H](C)CCSC)cc1C#N ZINC000135195043 371400376 /nfs/dbraw/zinc/40/03/76/371400376.db2.gz YRQNZPOHKTXRPT-GFCCVEGCSA-N 1 1 278.421 3.140 20 30 CGEDMO C=C(C)C[N@H+](CC)CCC(=O)Nc1ccccc1OCC ZINC000136194951 371466801 /nfs/dbraw/zinc/46/68/01/371466801.db2.gz DSDXEETWMUWYFC-UHFFFAOYSA-N 1 1 290.407 3.312 20 30 CGEDMO C=CCC[N@H+](C)CCCCOc1c(OC)cccc1OC ZINC000289359656 371754255 /nfs/dbraw/zinc/75/42/55/371754255.db2.gz HDTOPUGPWYAEAM-UHFFFAOYSA-N 1 1 293.407 3.371 20 30 CGEDMO C[N@@H+]1CC[C@H](NCC#Cc2ccccc2)[C@H]1c1ccccc1 ZINC000289355220 371755372 /nfs/dbraw/zinc/75/53/72/371755372.db2.gz HVOCYIRTXSAZAO-VQTJNVASSA-N 1 1 290.410 3.073 20 30 CGEDMO C[N@H+]1CC[C@H](NCC#Cc2ccccc2)[C@H]1c1ccccc1 ZINC000289355220 371755378 /nfs/dbraw/zinc/75/53/78/371755378.db2.gz HVOCYIRTXSAZAO-VQTJNVASSA-N 1 1 290.410 3.073 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000289693720 371794582 /nfs/dbraw/zinc/79/45/82/371794582.db2.gz GZZRQOMNYRRIIX-MRXNPFEDSA-N 1 1 272.392 3.338 20 30 CGEDMO C[N@H+](CCOCc1ccccc1)Cc1ccc(C#N)cc1F ZINC000154532638 371853763 /nfs/dbraw/zinc/85/37/63/371853763.db2.gz BOWPRVSACKBQLD-UHFFFAOYSA-N 1 1 298.361 3.346 20 30 CGEDMO C[N@@H+](CCOCc1ccccc1)Cc1ccc(C#N)cc1F ZINC000154532638 371853769 /nfs/dbraw/zinc/85/37/69/371853769.db2.gz BOWPRVSACKBQLD-UHFFFAOYSA-N 1 1 298.361 3.346 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)CCC1(F)F ZINC000289946982 371859882 /nfs/dbraw/zinc/85/98/82/371859882.db2.gz VTNQFRFOGATDGB-SNVBAGLBSA-N 1 1 268.282 3.174 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)CCC1(F)F ZINC000289946982 371859886 /nfs/dbraw/zinc/85/98/86/371859886.db2.gz VTNQFRFOGATDGB-SNVBAGLBSA-N 1 1 268.282 3.174 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CCC1(F)F ZINC000289980768 371869078 /nfs/dbraw/zinc/86/90/78/371869078.db2.gz XQGQACQFKIAUEA-LLVKDONJSA-N 1 1 250.292 3.035 20 30 CGEDMO CC#CCC[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000155137703 371907567 /nfs/dbraw/zinc/90/75/67/371907567.db2.gz TVKKISNIAHLTKM-OAHLLOKOSA-N 1 1 263.768 3.127 20 30 CGEDMO CC#CCC[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000155137703 371907574 /nfs/dbraw/zinc/90/75/74/371907574.db2.gz TVKKISNIAHLTKM-OAHLLOKOSA-N 1 1 263.768 3.127 20 30 CGEDMO C[N@H+](CCCCC#N)[C@H]1CCCN(CCCCC#N)CC1 ZINC000156992549 372002303 /nfs/dbraw/zinc/00/23/03/372002303.db2.gz ZYHNLODLSZXAIH-KRWDZBQOSA-N 1 1 290.455 3.160 20 30 CGEDMO C[N@@H+](CCCCC#N)[C@H]1CCCN(CCCCC#N)CC1 ZINC000156992549 372002312 /nfs/dbraw/zinc/00/23/12/372002312.db2.gz ZYHNLODLSZXAIH-KRWDZBQOSA-N 1 1 290.455 3.160 20 30 CGEDMO CC[N@H+](CCOc1cccc(Cl)c1)C[C@@H](C)C#N ZINC000157635218 372029096 /nfs/dbraw/zinc/02/90/96/372029096.db2.gz KRRWVTSSBASCIG-LBPRGKRZSA-N 1 1 266.772 3.200 20 30 CGEDMO CC[N@@H+](CCOc1cccc(Cl)c1)C[C@@H](C)C#N ZINC000157635218 372029099 /nfs/dbraw/zinc/02/90/99/372029099.db2.gz KRRWVTSSBASCIG-LBPRGKRZSA-N 1 1 266.772 3.200 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](CC)C[C@@H](C)OC)cc1OC ZINC000291129155 372122329 /nfs/dbraw/zinc/12/23/29/372122329.db2.gz WDHWAAHXZBBMLX-CQSZACIVSA-N 1 1 293.407 3.117 20 30 CGEDMO C=C(Br)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292057278 372180667 /nfs/dbraw/zinc/18/06/67/372180667.db2.gz CECMHTZQEFMLAZ-UHFFFAOYSA-N 1 1 299.168 3.328 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cnc2c(C)cccn12 ZINC000426560888 372165053 /nfs/dbraw/zinc/16/50/53/372165053.db2.gz SBYGFZULOBORQV-AWEZNQCLSA-N 1 1 255.365 3.183 20 30 CGEDMO C#CCCOc1ccc(C[NH2+]Cc2oc(CC)nc2C)cc1 ZINC000291677738 372172991 /nfs/dbraw/zinc/17/29/91/372172991.db2.gz HIDCXXDQNKRYMR-UHFFFAOYSA-N 1 1 298.386 3.237 20 30 CGEDMO CC#CC[NH2+][C@H](CC)c1nc(C(F)(F)F)cs1 ZINC000159742335 372175674 /nfs/dbraw/zinc/17/56/74/372175674.db2.gz XSOMPLMTIPXSNY-MRVPVSSYSA-N 1 1 262.300 3.226 20 30 CGEDMO C[C@@H]1CCC[N@H+](CCC(C)(C)C#N)[C@@H]1C(=O)OC(C)(C)C ZINC000425509078 372129723 /nfs/dbraw/zinc/12/97/23/372129723.db2.gz IAIZZQJPPSDVGL-KGLIPLIRSA-N 1 1 294.439 3.368 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCC(C)(C)C#N)[C@@H]1C(=O)OC(C)(C)C ZINC000425509078 372129727 /nfs/dbraw/zinc/12/97/27/372129727.db2.gz IAIZZQJPPSDVGL-KGLIPLIRSA-N 1 1 294.439 3.368 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+]2CC(C)(C)C[C@H]2c2ccccc2)C1=O ZINC000425545255 372131885 /nfs/dbraw/zinc/13/18/85/372131885.db2.gz RUDWEPAHQUUJTN-IRXDYDNUSA-N 1 1 298.430 3.247 20 30 CGEDMO C=CCCCCC[N@@H+]1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000429026012 372307163 /nfs/dbraw/zinc/30/71/63/372307163.db2.gz JBTROOALOFHJSI-IXDOHACOSA-N 1 1 264.457 3.395 20 30 CGEDMO C=CCCCCCN1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000429026012 372307166 /nfs/dbraw/zinc/30/71/66/372307166.db2.gz JBTROOALOFHJSI-IXDOHACOSA-N 1 1 264.457 3.395 20 30 CGEDMO C=CCCCCCN1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000429026012 372307170 /nfs/dbraw/zinc/30/71/70/372307170.db2.gz JBTROOALOFHJSI-IXDOHACOSA-N 1 1 264.457 3.395 20 30 CGEDMO CSC[C@H]1CCC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000429280385 372336654 /nfs/dbraw/zinc/33/66/54/372336654.db2.gz PLTXHSQIWXWZCG-LBPRGKRZSA-N 1 1 278.396 3.272 20 30 CGEDMO CSC[C@H]1CCC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000429280385 372336663 /nfs/dbraw/zinc/33/66/63/372336663.db2.gz PLTXHSQIWXWZCG-LBPRGKRZSA-N 1 1 278.396 3.272 20 30 CGEDMO C[C@@H]1CC[C@@H]([N@H+](CC#Cc2ccc(Cl)cc2)CCO)C1 ZINC000429768516 372377192 /nfs/dbraw/zinc/37/71/92/372377192.db2.gz SREQQACFGPMPEB-RHSMWYFYSA-N 1 1 291.822 3.174 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)Cc1ccccc1Cl ZINC000429727475 372377633 /nfs/dbraw/zinc/37/76/33/372377633.db2.gz SXVZCLZXLNWQET-UHFFFAOYSA-N 1 1 266.816 3.280 20 30 CGEDMO N#CCC1(C[NH2+]Cc2coc(-c3ccccc3)n2)CC1 ZINC000430056838 372383546 /nfs/dbraw/zinc/38/35/46/372383546.db2.gz ASBFIYSCFBKVFU-UHFFFAOYSA-N 1 1 267.332 3.125 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)s1 ZINC000293594786 372420559 /nfs/dbraw/zinc/42/05/59/372420559.db2.gz IVHJRCNSMPFLQP-OAHLLOKOSA-N 1 1 288.416 3.011 20 30 CGEDMO C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCOCCC#N ZINC000293665442 372442136 /nfs/dbraw/zinc/44/21/36/372442136.db2.gz ZBFKBWRMSCEQLU-LBPRGKRZSA-N 1 1 266.772 3.263 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccc(OC)cc1OC ZINC000163364450 372463311 /nfs/dbraw/zinc/46/33/11/372463311.db2.gz UFULCISLJYXUIQ-JTQLQIEISA-N 1 1 255.745 3.107 20 30 CGEDMO C=C(Cl)C[NH2+][C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000163370724 372463895 /nfs/dbraw/zinc/46/38/95/372463895.db2.gz NWDJKEXKLBDVFL-SNVBAGLBSA-N 1 1 285.771 3.116 20 30 CGEDMO C=CCC(C)(C)CNC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000432106075 372537270 /nfs/dbraw/zinc/53/72/70/372537270.db2.gz GWXGWPGONPJUMO-LSDHHAIUSA-N 1 1 295.471 3.008 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)c1cc(C(=O)OC)c(C)o1 ZINC000432819384 372574177 /nfs/dbraw/zinc/57/41/77/372574177.db2.gz XIVVUSIQGYLVCD-NSHDSACASA-N 1 1 265.353 3.334 20 30 CGEDMO N#Cc1ccc2c(c1)[C@@H](NCCC[NH+]1CCCCC1)CC2 ZINC000353390085 220057526 /nfs/dbraw/zinc/05/75/26/220057526.db2.gz TZTPPZBMNFZXHU-SFHVURJKSA-N 1 1 283.419 3.011 20 30 CGEDMO C=CCC[C@H](C)[NH2+]Cc1noc(-c2cccs2)n1 ZINC000294998719 372685537 /nfs/dbraw/zinc/68/55/37/372685537.db2.gz LDYQPHUVUJGTKV-JTQLQIEISA-N 1 1 263.366 3.242 20 30 CGEDMO CC[C@H](C)C[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000171950024 372867036 /nfs/dbraw/zinc/86/70/36/372867036.db2.gz GZPKVZQIIQJDOD-NSHDSACASA-N 1 1 293.798 3.128 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)Cc1cccc(C#N)c1 ZINC000171939755 372860299 /nfs/dbraw/zinc/86/02/99/372860299.db2.gz ORPSRYUZUCRTNZ-UHFFFAOYSA-N 1 1 255.365 3.320 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1cccc(C#N)c1 ZINC000171939755 372860305 /nfs/dbraw/zinc/86/03/05/372860305.db2.gz ORPSRYUZUCRTNZ-UHFFFAOYSA-N 1 1 255.365 3.320 20 30 CGEDMO CC(C)[C@H]1CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000438343413 372931339 /nfs/dbraw/zinc/93/13/39/372931339.db2.gz XSADXWSTFUPUKK-HNNXBMFYSA-N 1 1 282.391 3.074 20 30 CGEDMO CC(C)[C@@H]1CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000438343414 372932014 /nfs/dbraw/zinc/93/20/14/372932014.db2.gz XSADXWSTFUPUKK-OAHLLOKOSA-N 1 1 282.391 3.074 20 30 CGEDMO C=CC[N@H+](C[C@@H](C)O)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441238238 373000803 /nfs/dbraw/zinc/00/08/03/373000803.db2.gz YJEQRLXIRZONPJ-QWHCGFSZSA-N 1 1 267.800 3.140 20 30 CGEDMO C=CCCC[N@H+](C)CCOc1ccccc1OCC ZINC000441379549 373003268 /nfs/dbraw/zinc/00/32/68/373003268.db2.gz JGXZWLUTDJNZIM-UHFFFAOYSA-N 1 1 263.381 3.362 20 30 CGEDMO CC1(C)C[C@H](O)CC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000296003046 372991506 /nfs/dbraw/zinc/99/15/06/372991506.db2.gz KUTBYUILSDUATN-OAHLLOKOSA-N 1 1 292.810 3.195 20 30 CGEDMO CC1(C)C[C@H](O)CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000296003046 372991510 /nfs/dbraw/zinc/99/15/10/372991510.db2.gz KUTBYUILSDUATN-OAHLLOKOSA-N 1 1 292.810 3.195 20 30 CGEDMO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CCCCC(C)(C)C#N ZINC000444583106 373203002 /nfs/dbraw/zinc/20/30/02/373203002.db2.gz MGGRGOQUJYSYHC-HNNXBMFYSA-N 1 1 293.455 3.039 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCCC(C)(C)[C@H]1CC=C ZINC000444776938 373271924 /nfs/dbraw/zinc/27/19/24/373271924.db2.gz QPFSXLZSAOOLRR-LSDHHAIUSA-N 1 1 251.414 3.380 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@]1(CCC)C(=O)OCC ZINC000444783465 373273972 /nfs/dbraw/zinc/27/39/72/373273972.db2.gz LEANJVZHOGBIRT-OAHLLOKOSA-N 1 1 253.386 3.150 20 30 CGEDMO CC(C)(C)[C@H]1CC[N@@H+](CCCCC(C)(C)C#N)C[C@@H]1O ZINC000444675190 373229470 /nfs/dbraw/zinc/22/94/70/373229470.db2.gz MTOUXDHVPZXSHK-GJZGRUSLSA-N 1 1 280.456 3.435 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)Cc1ccnc(OC)n1 ZINC000296808628 373248886 /nfs/dbraw/zinc/24/88/86/373248886.db2.gz MXCGBZVHZWAVPE-UHFFFAOYSA-N 1 1 283.375 3.064 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1ccnc(OC)n1 ZINC000296808628 373248893 /nfs/dbraw/zinc/24/88/93/373248893.db2.gz MXCGBZVHZWAVPE-UHFFFAOYSA-N 1 1 283.375 3.064 20 30 CGEDMO CC(C)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000444748191 373259564 /nfs/dbraw/zinc/25/95/64/373259564.db2.gz HIWWXIYMXHXGMV-GOEBONIOSA-N 1 1 299.418 3.253 20 30 CGEDMO CCSCC[C@@H](C)[N@@H+](C)CCCSCC#N ZINC000174191028 373264648 /nfs/dbraw/zinc/26/46/48/373264648.db2.gz OJVPSTCARPTALZ-GFCCVEGCSA-N 1 1 260.472 3.097 20 30 CGEDMO C[N@H+](CC#Cc1ccc(F)cc1)CCc1ccc(F)cc1 ZINC000446765398 373359867 /nfs/dbraw/zinc/35/98/67/373359867.db2.gz NXULYRILILCDED-UHFFFAOYSA-N 1 1 285.337 3.491 20 30 CGEDMO C=CC[C@H]1[N@H+](Cc2ccnc(N)c2)CCCC1(C)C ZINC000298589707 373361291 /nfs/dbraw/zinc/36/12/91/373361291.db2.gz RPUQYNLBVNMRME-CQSZACIVSA-N 1 1 259.397 3.231 20 30 CGEDMO CC(C)(C)[C@@H]1C[N@@H+](CCCC(C)(C)C#N)CCO1 ZINC000447828573 373501432 /nfs/dbraw/zinc/50/14/32/373501432.db2.gz DSKHNFGNHIEWEP-ZDUSSCGKSA-N 1 1 252.402 3.063 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449026387 373656075 /nfs/dbraw/zinc/65/60/75/373656075.db2.gz FOBZILQNXAVMAS-CQSZACIVSA-N 1 1 295.448 3.092 20 30 CGEDMO CO[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CC[C@H]1C ZINC000299916563 373616215 /nfs/dbraw/zinc/61/62/15/373616215.db2.gz HHAYCYQWDXFFJR-ABAIWWIYSA-N 1 1 278.783 3.068 20 30 CGEDMO C[N@@H+](CCC#N)CCCOc1cccc(C(F)(F)F)c1 ZINC000177186110 373660161 /nfs/dbraw/zinc/66/01/61/373660161.db2.gz LPHYUNLYZWXFTH-UHFFFAOYSA-N 1 1 286.297 3.320 20 30 CGEDMO C[N@H+](CCC#N)CCCOc1cccc(C(F)(F)F)c1 ZINC000177186110 373660168 /nfs/dbraw/zinc/66/01/68/373660168.db2.gz LPHYUNLYZWXFTH-UHFFFAOYSA-N 1 1 286.297 3.320 20 30 CGEDMO C[C@@]12C[N@@H+](Cc3ccc(C#N)s3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000449454449 373736589 /nfs/dbraw/zinc/73/65/89/373736589.db2.gz ZHXBDETWBYWPMZ-KNPMLCFXSA-N 1 1 270.401 3.264 20 30 CGEDMO CCC[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000179511458 373880728 /nfs/dbraw/zinc/88/07/28/373880728.db2.gz LKTCTZIDMJYVOU-INIZCTEOSA-N 1 1 285.391 3.151 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCCC[C@@H]2COC)c1 ZINC000449756438 373884114 /nfs/dbraw/zinc/88/41/14/373884114.db2.gz BEMQSEDIUOOLFZ-MRXNPFEDSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](COC)CC2)cc1 ZINC000449773552 373901881 /nfs/dbraw/zinc/90/18/81/373901881.db2.gz IQRBNFMZEOYODM-QGZVFWFLSA-N 1 1 289.419 3.500 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](COC)CC1 ZINC000449773515 373902255 /nfs/dbraw/zinc/90/22/55/373902255.db2.gz IOPQPBHIFAPIAS-MRXNPFEDSA-N 1 1 289.419 3.500 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000181149629 374086017 /nfs/dbraw/zinc/08/60/17/374086017.db2.gz DYIFEAXALDIXIN-ZDUSSCGKSA-N 1 1 255.365 3.237 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000181149629 374086026 /nfs/dbraw/zinc/08/60/26/374086026.db2.gz DYIFEAXALDIXIN-ZDUSSCGKSA-N 1 1 255.365 3.237 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000181149629 374086036 /nfs/dbraw/zinc/08/60/36/374086036.db2.gz DYIFEAXALDIXIN-ZDUSSCGKSA-N 1 1 255.365 3.237 20 30 CGEDMO C[C@@H](NC[C@@H](C)[NH+]1CCC(C)CC1)c1ccc(C#N)cc1 ZINC000181624410 374147570 /nfs/dbraw/zinc/14/75/70/374147570.db2.gz OTVFWWPEOYJIMG-HZPDHXFCSA-N 1 1 285.435 3.329 20 30 CGEDMO CC(C)C[C@@H]1CC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000307777331 374152762 /nfs/dbraw/zinc/15/27/62/374152762.db2.gz QOAINYULLBGQJX-HNNXBMFYSA-N 1 1 272.392 3.305 20 30 CGEDMO Cc1cc(NC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc(C#N)n1 ZINC000308279713 374161913 /nfs/dbraw/zinc/16/19/13/374161913.db2.gz WYKXCHBBRPDTOW-OAHLLOKOSA-N 1 1 294.402 3.194 20 30 CGEDMO C=CCC1(C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)CCCCC1 ZINC000450572333 374161929 /nfs/dbraw/zinc/16/19/29/374161929.db2.gz ULPMIQXTFZIJHJ-GJZGRUSLSA-N 1 1 278.440 3.064 20 30 CGEDMO N#Cc1cc(F)ccc1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309595279 374190450 /nfs/dbraw/zinc/19/04/50/374190450.db2.gz WUPHWVCVNYYPBK-QGZVFWFLSA-N 1 1 295.361 3.384 20 30 CGEDMO CCCC[C@H](C)[N@@H+](C)CCOc1ccccc1C#N ZINC000312049135 374267824 /nfs/dbraw/zinc/26/78/24/374267824.db2.gz AUIIMNHDXTUNBD-AWEZNQCLSA-N 1 1 260.381 3.448 20 30 CGEDMO C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C#N)c2)[C@H]2CCCC[C@H]12 ZINC000182471172 374276943 /nfs/dbraw/zinc/27/69/43/374276943.db2.gz JJIBCJAJTUBFMH-XYPHTWIQSA-N 1 1 297.402 3.007 20 30 CGEDMO COc1ccccc1C[N@@H+](C)CCOc1ccccc1C#N ZINC000314817337 374322795 /nfs/dbraw/zinc/32/27/95/374322795.db2.gz QARMSGYMVHDSAT-UHFFFAOYSA-N 1 1 296.370 3.078 20 30 CGEDMO CCC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)CC(C)C ZINC000314998612 374324704 /nfs/dbraw/zinc/32/47/04/374324704.db2.gz SDUMGNLROQSUSA-UHFFFAOYSA-N 1 1 287.407 3.255 20 30 CGEDMO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1ccccc1OC ZINC000316649652 374334107 /nfs/dbraw/zinc/33/41/07/374334107.db2.gz QMICDHNXTXMQIV-CYBMUJFWSA-N 1 1 296.370 3.426 20 30 CGEDMO C[C@H]1CCCC[C@@H]1[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000330367948 374454904 /nfs/dbraw/zinc/45/49/04/374454904.db2.gz IOPYJVGJCFUTRV-YOEHRIQHSA-N 1 1 299.418 3.397 20 30 CGEDMO CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1Cc1ccc(C#N)o1 ZINC000184418961 374521902 /nfs/dbraw/zinc/52/19/02/374521902.db2.gz LHQQEXUHLCHMKS-OAHLLOKOSA-N 1 1 295.386 3.252 20 30 CGEDMO CC[C@@H]1CN(c2ccccc2)CC[N@H+]1Cc1ccc(C#N)o1 ZINC000184418961 374521905 /nfs/dbraw/zinc/52/19/05/374521905.db2.gz LHQQEXUHLCHMKS-OAHLLOKOSA-N 1 1 295.386 3.252 20 30 CGEDMO C=C(C)CN1CCC([NH2+][C@H](C)c2ccc(F)cc2O)CC1 ZINC000185384494 374653817 /nfs/dbraw/zinc/65/38/17/374653817.db2.gz XGGYWYKHDAZAHR-CYBMUJFWSA-N 1 1 292.398 3.222 20 30 CGEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1cc(C#N)cs1 ZINC000334583245 374882877 /nfs/dbraw/zinc/88/28/77/374882877.db2.gz ZJXHSNHMQLOFHK-CQSZACIVSA-N 1 1 286.404 3.297 20 30 CGEDMO Cc1noc([C@@H]2CCC[N@H+]([C@@H](C)c3cccc(C#N)c3)C2)n1 ZINC000186816133 374922120 /nfs/dbraw/zinc/92/21/20/374922120.db2.gz SJTOOAZKAFJXPJ-BLLLJJGKSA-N 1 1 296.374 3.190 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000470760517 374999723 /nfs/dbraw/zinc/99/97/23/374999723.db2.gz CBNDVYGOWCHJQW-OAHLLOKOSA-N 1 1 263.356 3.208 20 30 CGEDMO C=CCOCCC[N@H+](C)[C@@H](C)Cc1ccccc1C ZINC000470871433 375001039 /nfs/dbraw/zinc/00/10/39/375001039.db2.gz DAVLBPVSJIVIPA-INIZCTEOSA-N 1 1 261.409 3.451 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](CC(=C)C)Cc1ccccc1 ZINC000470924904 375001826 /nfs/dbraw/zinc/00/18/26/375001826.db2.gz AZYPFIAWCPXYHB-KRWDZBQOSA-N 1 1 259.393 3.392 20 30 CGEDMO C=C(C)[C@@H]([NH2+]Cc1c[nH]nc1C)c1ccc(F)c(F)c1 ZINC000187371147 375010433 /nfs/dbraw/zinc/01/04/33/375010433.db2.gz FSUHXWNVWLZRBU-OAHLLOKOSA-N 1 1 277.318 3.403 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000472583396 375026469 /nfs/dbraw/zinc/02/64/69/375026469.db2.gz FDZGHFIHPPVTNG-BPQIPLTHSA-N 1 1 273.420 3.439 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@]1(C)Cc1ccccc1 ZINC000467235122 374971827 /nfs/dbraw/zinc/97/18/27/374971827.db2.gz IOGXKOSVUPKWJA-MSOLQXFVSA-N 1 1 273.420 3.411 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC=C(COC)CC2)c1 ZINC000187619308 375057215 /nfs/dbraw/zinc/05/72/15/375057215.db2.gz CPBPQSAESXTVMN-UHFFFAOYSA-N 1 1 273.376 3.030 20 30 CGEDMO C[C@H]1COc2ccccc2C[N@@H+]1CC#Cc1ccccc1 ZINC000483698353 375183702 /nfs/dbraw/zinc/18/37/02/375183702.db2.gz KXNPESDGRKHWOK-INIZCTEOSA-N 1 1 277.367 3.321 20 30 CGEDMO C[C@H]1COc2ccccc2C[N@H+]1CC#Cc1ccccc1 ZINC000483698353 375183705 /nfs/dbraw/zinc/18/37/05/375183705.db2.gz KXNPESDGRKHWOK-INIZCTEOSA-N 1 1 277.367 3.321 20 30 CGEDMO C[C@@H](CO)[N@@H+](CC#Cc1cccc(Cl)c1)CC1CCC1 ZINC000483164788 375175685 /nfs/dbraw/zinc/17/56/85/375175685.db2.gz AGTBLCWZQUYTBZ-AWEZNQCLSA-N 1 1 291.822 3.174 20 30 CGEDMO COc1ccc(C[N@H+]2CCCC[C@H](C)C2)cc1C#N ZINC000187916591 375115540 /nfs/dbraw/zinc/11/55/40/375115540.db2.gz VTOPOTHYQUUSTP-ZDUSSCGKSA-N 1 1 258.365 3.189 20 30 CGEDMO C[C@H]1CCCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000187948720 375124261 /nfs/dbraw/zinc/12/42/61/375124261.db2.gz BXPYUDWTDYSHFY-AWEZNQCLSA-N 1 1 285.391 3.009 20 30 CGEDMO Cc1cc(C[N@H+](C[C@H](C)O)C2CCCCC2)ccc1C#N ZINC000487885836 375281799 /nfs/dbraw/zinc/28/17/99/375281799.db2.gz ZSQSNKGOQAWLLE-HNNXBMFYSA-N 1 1 286.419 3.382 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)c1 ZINC000335424605 375283529 /nfs/dbraw/zinc/28/35/29/375283529.db2.gz NWAHKQWUJQOILJ-HIFRSBDPSA-N 1 1 276.405 3.011 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)C[C@H](O)CC(F)(F)F ZINC000188914612 375291990 /nfs/dbraw/zinc/29/19/90/375291990.db2.gz WCDKRDMGWQIZOQ-CQSZACIVSA-N 1 1 287.325 3.030 20 30 CGEDMO C#C[C@H](CC)[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1 ZINC000491372950 375328118 /nfs/dbraw/zinc/32/81/18/375328118.db2.gz LGJIOCOXRDKNDI-SJLPKXTDSA-N 1 1 284.447 3.083 20 30 CGEDMO C#C[C@H](CC)NC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000491372950 375328122 /nfs/dbraw/zinc/32/81/22/375328122.db2.gz LGJIOCOXRDKNDI-SJLPKXTDSA-N 1 1 284.447 3.083 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@H]3CCSC3)CC2)cc1 ZINC000335829803 375465233 /nfs/dbraw/zinc/46/52/33/375465233.db2.gz PGFWPNWVMORQGH-OAHLLOKOSA-N 1 1 284.428 3.400 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000496526554 375539488 /nfs/dbraw/zinc/53/94/88/375539488.db2.gz CWJCRKFIRXTEEP-MELADBBJSA-N 1 1 295.427 3.008 20 30 CGEDMO C[C@@H](CCC#N)[N@@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000496526554 375539495 /nfs/dbraw/zinc/53/94/95/375539495.db2.gz CWJCRKFIRXTEEP-MELADBBJSA-N 1 1 295.427 3.008 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(N(C)C(C)C)nc1 ZINC000191165456 375587978 /nfs/dbraw/zinc/58/79/78/375587978.db2.gz QONMWHRHLAOHSD-UHFFFAOYSA-N 1 1 261.413 3.324 20 30 CGEDMO C=CC[N@@H+](CCOCC(F)(F)F)Cc1ccccc1F ZINC000505533726 375660364 /nfs/dbraw/zinc/66/03/64/375660364.db2.gz RXPCIUHFSQQXAR-UHFFFAOYSA-N 1 1 291.288 3.393 20 30 CGEDMO C=CC[N@H+](CCOCC(F)(F)F)Cc1ccccc1F ZINC000505533726 375660372 /nfs/dbraw/zinc/66/03/72/375660372.db2.gz RXPCIUHFSQQXAR-UHFFFAOYSA-N 1 1 291.288 3.393 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N[C@@H](C)CCC ZINC000502466842 375645784 /nfs/dbraw/zinc/64/57/84/375645784.db2.gz IHVNYYLLDAVBMN-JKSUJKDBSA-N 1 1 288.435 3.368 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N[C@@H](C)CCC ZINC000502466842 375645793 /nfs/dbraw/zinc/64/57/93/375645793.db2.gz IHVNYYLLDAVBMN-JKSUJKDBSA-N 1 1 288.435 3.368 20 30 CGEDMO C=C(C)CC[N@H+](CC)Cc1ccc(OC)cc1OC ZINC000509260886 375778025 /nfs/dbraw/zinc/77/80/25/375778025.db2.gz XPWVYJFKVVGKTR-UHFFFAOYSA-N 1 1 263.381 3.492 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2C2CCOCC2)s1 ZINC000336443496 375796429 /nfs/dbraw/zinc/79/64/29/375796429.db2.gz ZRSKYWVKUPNXKB-OAHLLOKOSA-N 1 1 276.405 3.011 20 30 CGEDMO C[C@@H]1[C@@H](Nc2cc(C#N)ccc2C(F)(F)F)CCC[N@H+]1C ZINC000513023625 375801006 /nfs/dbraw/zinc/80/10/06/375801006.db2.gz KIXOFCQECGCKQQ-MFKMUULPSA-N 1 1 297.324 3.472 20 30 CGEDMO C=CCC[C@H](NC(=O)C[NH+]1CC(C)(C)C1)c1ccccc1 ZINC000516489711 375821254 /nfs/dbraw/zinc/82/12/54/375821254.db2.gz FGPNRWOWLLARTB-INIZCTEOSA-N 1 1 286.419 3.152 20 30 CGEDMO CC#CCC[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000511062948 375790483 /nfs/dbraw/zinc/79/04/83/375790483.db2.gz FZJTVZABILPXKF-UHFFFAOYSA-N 1 1 285.309 3.473 20 30 CGEDMO N#CC1(C[C@H](O)C[N@H+]2CCCC3(C2)CCCCCC3)CC1 ZINC000528393933 375900432 /nfs/dbraw/zinc/90/04/32/375900432.db2.gz ZHIDNXMCUITGQM-INIZCTEOSA-N 1 1 290.451 3.478 20 30 CGEDMO CC1(C)C[N@@H+](C[C@H](O)CC2(C#N)CC2)[C@H]1c1cccs1 ZINC000528508540 375903694 /nfs/dbraw/zinc/90/36/94/375903694.db2.gz ZZLOKQKMZLRPFT-OCCSQVGLSA-N 1 1 290.432 3.186 20 30 CGEDMO COc1cccc([C@@H]2C[N@@H+](CCCC#N)CC2(C)C)c1 ZINC000528620091 375907709 /nfs/dbraw/zinc/90/77/09/375907709.db2.gz NYDBPDXUEXLUBL-INIZCTEOSA-N 1 1 272.392 3.424 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@@H]2COc3ccc(Cl)cc32)cc1 ZINC000336603841 375867342 /nfs/dbraw/zinc/86/73/42/375867342.db2.gz ILJOLLPZMFPIIM-OAHLLOKOSA-N 1 1 284.746 3.435 20 30 CGEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)c2cccc(Cl)c2)C1=O ZINC000337125700 376087002 /nfs/dbraw/zinc/08/70/02/376087002.db2.gz FFNZYOXPBIRCNM-SWLSCSKDSA-N 1 1 292.810 3.120 20 30 CGEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](c3ccccc3)CC2)C1=O ZINC000337145611 376100482 /nfs/dbraw/zinc/10/04/82/376100482.db2.gz XMNMPLMJKQMYAL-QZTJIDSGSA-N 1 1 298.430 3.043 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCCC2(C#N)CCOCC2)CC1 ZINC000337146063 376100890 /nfs/dbraw/zinc/10/08/90/376100890.db2.gz XZVDNHNBNWGUMJ-OAHLLOKOSA-N 1 1 264.413 3.209 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2c2cc(C)ccc2C)C1=O ZINC000337155884 376103686 /nfs/dbraw/zinc/10/36/86/376103686.db2.gz OIIRXYWWRYYEJO-MSOLQXFVSA-N 1 1 298.430 3.227 20 30 CGEDMO CC(C)[N@H+](CCC#N)Cc1ccc(Oc2cnccn2)cc1 ZINC000536639780 376107714 /nfs/dbraw/zinc/10/77/14/376107714.db2.gz HCAXVCXSKABFSY-UHFFFAOYSA-N 1 1 296.374 3.393 20 30 CGEDMO CC(C)[N@@H+](CCC#N)Cc1ccc(Oc2cnccn2)cc1 ZINC000536639780 376107719 /nfs/dbraw/zinc/10/77/19/376107719.db2.gz HCAXVCXSKABFSY-UHFFFAOYSA-N 1 1 296.374 3.393 20 30 CGEDMO CC[C@H]1CC[C@H](C)[N@H+]1CCCC1(C#N)CCOCC1 ZINC000337197258 376129437 /nfs/dbraw/zinc/12/94/37/376129437.db2.gz YGWXLZRQHVIZKH-GJZGRUSLSA-N 1 1 264.413 3.350 20 30 CGEDMO C[C@H]1CCCCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000337189351 376125603 /nfs/dbraw/zinc/12/56/03/376125603.db2.gz REILIHZDLMCGOT-HNNXBMFYSA-N 1 1 264.413 3.351 20 30 CGEDMO CCc1cc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)on1 ZINC000538507607 376246510 /nfs/dbraw/zinc/24/65/10/376246510.db2.gz PWKZOFUKACKQDD-SNVBAGLBSA-N 1 1 273.311 3.099 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc(C#N)cc1 ZINC000338357705 376349328 /nfs/dbraw/zinc/34/93/28/376349328.db2.gz KVYAVBNSDVFWTA-GFCCVEGCSA-N 1 1 279.318 3.420 20 30 CGEDMO C=CCN(C(=O)NC[C@@H]1CCCC[N@@H+]1CCCC)C1CC1 ZINC000539009504 376284452 /nfs/dbraw/zinc/28/44/52/376284452.db2.gz IUICADGFOMIIAP-INIZCTEOSA-N 1 1 293.455 3.001 20 30 CGEDMO C=CCC[N@H+]1CCc2cccc(Br)c2C1 ZINC000338545282 376419721 /nfs/dbraw/zinc/41/97/21/376419721.db2.gz XRNJVDPVIRMWTP-UHFFFAOYSA-N 1 1 266.182 3.383 20 30 CGEDMO C[N@H+]1CCC[C@H]2CN(c3ccc(Cl)cc3C#N)CC[C@H]21 ZINC000227335494 376390123 /nfs/dbraw/zinc/39/01/23/376390123.db2.gz QTESKGPHYDLION-SWLSCSKDSA-N 1 1 289.810 3.132 20 30 CGEDMO C[N@H+]1CCC[C@@H]2CN(c3cccc(Cl)c3C#N)CC[C@H]21 ZINC000227335539 376390169 /nfs/dbraw/zinc/39/01/69/376390169.db2.gz SSHZLSMUFMPORN-IUODEOHRSA-N 1 1 289.810 3.132 20 30 CGEDMO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000334310975 206349012 /nfs/dbraw/zinc/34/90/12/206349012.db2.gz QAYAFVWOMWABPG-KRWDZBQOSA-N 1 1 288.366 3.090 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000334310975 206349013 /nfs/dbraw/zinc/34/90/13/206349013.db2.gz QAYAFVWOMWABPG-KRWDZBQOSA-N 1 1 288.366 3.090 20 30 CGEDMO CC[N@H+](Cc1ccc(C)cc1-c1ccnn1C)C[C@H](C)C#N ZINC000338945199 376592404 /nfs/dbraw/zinc/59/24/04/376592404.db2.gz AUFAFJHPVQQNPZ-OAHLLOKOSA-N 1 1 296.418 3.377 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cnc(C)nc1 ZINC000339152535 376714346 /nfs/dbraw/zinc/71/43/46/376714346.db2.gz CEWQTEIIXUVPIX-UHFFFAOYSA-N 1 1 280.375 3.069 20 30 CGEDMO CC(C)[N@@H+](Cc1cccnc1)Cc1cccc(C#N)c1 ZINC000339291249 376744641 /nfs/dbraw/zinc/74/46/41/376744641.db2.gz QXKJMEMZVLHNSZ-UHFFFAOYSA-N 1 1 265.360 3.364 20 30 CGEDMO CCOC1CC([N@@H+](C)CC#Cc2ccccc2Cl)C1 ZINC000554283728 376849915 /nfs/dbraw/zinc/84/99/15/376849915.db2.gz TVAOZYAUDIEROR-UHFFFAOYSA-N 1 1 277.795 3.191 20 30 CGEDMO C=CCOCC[N@H+]1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000555376879 376856342 /nfs/dbraw/zinc/85/63/42/376856342.db2.gz DMMGBCKOBIHQPF-CZUORRHYSA-N 1 1 263.356 3.411 20 30 CGEDMO CC#CCC[N@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000555685127 376857954 /nfs/dbraw/zinc/85/79/54/376857954.db2.gz BCGDKWRXDAWLDG-HNNXBMFYSA-N 1 1 263.768 3.207 20 30 CGEDMO CC#CC[N@@H+](C)Cc1ccc(Br)cc1C ZINC000555751969 376859681 /nfs/dbraw/zinc/85/96/81/376859681.db2.gz UCXVTEFCMCZLJL-UHFFFAOYSA-N 1 1 266.182 3.213 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)C[C@@H](C)Cc1ccc(OC)cc1 ZINC000245607894 376868067 /nfs/dbraw/zinc/86/80/67/376868067.db2.gz ZNVBRONMWBCPKM-RDJZCZTQSA-N 1 1 291.435 3.133 20 30 CGEDMO C[N@H+](C/C=C\c1ccc(F)cc1F)CC(C)(C)C#N ZINC000556909451 376903930 /nfs/dbraw/zinc/90/39/30/376903930.db2.gz GBTPOEGLXNDUKM-PLNGDYQASA-N 1 1 264.319 3.460 20 30 CGEDMO C[N@@H+](C/C=C\c1ccc(F)cc1F)CC(C)(C)C#N ZINC000556909451 376903938 /nfs/dbraw/zinc/90/39/38/376903938.db2.gz GBTPOEGLXNDUKM-PLNGDYQASA-N 1 1 264.319 3.460 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@H]1C ZINC000245850337 376918673 /nfs/dbraw/zinc/91/86/73/376918673.db2.gz CTVOLWYFGVHANG-QWHCGFSZSA-N 1 1 296.374 3.086 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCc2sccc2[C@@H]1CC ZINC000245987981 376950004 /nfs/dbraw/zinc/95/00/04/376950004.db2.gz FQNLTCNOXGNFDZ-JSGCOSHPSA-N 1 1 265.422 3.384 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000246009086 376953309 /nfs/dbraw/zinc/95/33/09/376953309.db2.gz KRNRRHNJENRGBJ-CVEARBPZSA-N 1 1 263.356 3.290 20 30 CGEDMO Cc1nsc(C)c1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000559638037 377094103 /nfs/dbraw/zinc/09/41/03/377094103.db2.gz QDUVKNSIPLZDLX-UHFFFAOYSA-N 1 1 271.389 3.264 20 30 CGEDMO Cc1nsc(C)c1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000559638037 377094110 /nfs/dbraw/zinc/09/41/10/377094110.db2.gz QDUVKNSIPLZDLX-UHFFFAOYSA-N 1 1 271.389 3.264 20 30 CGEDMO C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@@H+]1CCCC#N ZINC000247600652 377227664 /nfs/dbraw/zinc/22/76/64/377227664.db2.gz PDDDYNFHICRERS-IIAWOOMASA-N 1 1 258.365 3.141 20 30 CGEDMO C[C@@H]1CO[C@@H](c2ccccc2)[C@@H](C)[N@H+]1CCCC#N ZINC000247600652 377227670 /nfs/dbraw/zinc/22/76/70/377227670.db2.gz PDDDYNFHICRERS-IIAWOOMASA-N 1 1 258.365 3.141 20 30 CGEDMO C[C@@H](O)C[N@@H+](Cc1cccc(C#N)c1F)C1CCCCC1 ZINC000340923540 377322458 /nfs/dbraw/zinc/32/24/58/377322458.db2.gz XRMXXDUNIDRJQN-CYBMUJFWSA-N 1 1 290.382 3.213 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCCCC#N ZINC000248389418 377302413 /nfs/dbraw/zinc/30/24/13/377302413.db2.gz AVUSHIGLIDERGV-DZFIZOCASA-N 1 1 299.462 3.426 20 30 CGEDMO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCCCC#N ZINC000248389418 377302420 /nfs/dbraw/zinc/30/24/20/377302420.db2.gz AVUSHIGLIDERGV-DZFIZOCASA-N 1 1 299.462 3.426 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000563073457 377398034 /nfs/dbraw/zinc/39/80/34/377398034.db2.gz VZHVLWSBIIUIDZ-HNNXBMFYSA-N 1 1 257.381 3.201 20 30 CGEDMO CC[C@]1(C)C[N@@H+]([C@H](C)c2cccc(C#N)c2)CCO1 ZINC000248911077 377427425 /nfs/dbraw/zinc/42/74/25/377427425.db2.gz IZDWTMLGWCZLBJ-CZUORRHYSA-N 1 1 258.365 3.120 20 30 CGEDMO CC[C@]1(C)C[N@H+]([C@H](C)c2cccc(C#N)c2)CCO1 ZINC000248911077 377427434 /nfs/dbraw/zinc/42/74/34/377427434.db2.gz IZDWTMLGWCZLBJ-CZUORRHYSA-N 1 1 258.365 3.120 20 30 CGEDMO CC[N@H+](C[C@H](C)C#N)C[C@H]1CCC2(CCCCC2)O1 ZINC000248878556 377417626 /nfs/dbraw/zinc/41/76/26/377417626.db2.gz WKWQWMMHPRDDGW-HUUCEWRRSA-N 1 1 264.413 3.350 20 30 CGEDMO CC[N@@H+](C[C@H](C)C#N)C[C@H]1CCC2(CCCCC2)O1 ZINC000248878556 377417633 /nfs/dbraw/zinc/41/76/33/377417633.db2.gz WKWQWMMHPRDDGW-HUUCEWRRSA-N 1 1 264.413 3.350 20 30 CGEDMO C=CCOCC[N@H+](Cc1ccc(C)c(C)c1)C1CC1 ZINC000566323764 377495279 /nfs/dbraw/zinc/49/52/79/377495279.db2.gz NUGDHPGFEKMKAV-UHFFFAOYSA-N 1 1 259.393 3.470 20 30 CGEDMO C[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)CC2(CCC2)O1 ZINC000566183963 377495458 /nfs/dbraw/zinc/49/54/58/377495458.db2.gz GDJJWMSCVGLPJB-OAHLLOKOSA-N 1 1 276.424 3.494 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)C[C@@H]1CCCC[C@H]1O ZINC000566599359 377499056 /nfs/dbraw/zinc/49/90/56/377499056.db2.gz DSLJKPAPQWCIKO-ZWKOTPCHSA-N 1 1 273.420 3.268 20 30 CGEDMO C[C@@H]1C[C@@H](Nc2cc(Cl)ccc2C#N)CC[N@H+]1C ZINC000090794958 249029717 /nfs/dbraw/zinc/02/97/17/249029717.db2.gz QZQLLSZCUOESOE-MFKMUULPSA-N 1 1 263.772 3.106 20 30 CGEDMO C=CCCCC[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000568951258 377525044 /nfs/dbraw/zinc/52/50/44/377525044.db2.gz OGHULVGCAVYEFW-INIZCTEOSA-N 1 1 260.381 3.029 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CCC(C)(C)CC(=O)OCC ZINC000567773114 377510258 /nfs/dbraw/zinc/51/02/58/377510258.db2.gz CHTMLFLQQCKJLL-AWEZNQCLSA-N 1 1 267.413 3.396 20 30 CGEDMO C=CCC[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC000569116455 377527070 /nfs/dbraw/zinc/52/70/70/377527070.db2.gz JKSRDZKHJPYNJN-NVXWUHKLSA-N 1 1 286.419 3.152 20 30 CGEDMO N#Cc1ccc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000298455827 249077346 /nfs/dbraw/zinc/07/73/46/249077346.db2.gz JBZXBFJINKJEFS-QGZVFWFLSA-N 1 1 292.386 3.030 20 30 CGEDMO Cc1nsc(N(C)CC[N@@H+](C)C2CCCCC2)c1C#N ZINC000360954249 249112614 /nfs/dbraw/zinc/11/26/14/249112614.db2.gz PCIHRJSAAKTEEQ-UHFFFAOYSA-N 1 1 292.452 3.024 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)[C@H]1C ZINC000250422790 377560429 /nfs/dbraw/zinc/56/04/29/377560429.db2.gz DOGZFGJPADUHGM-KGLIPLIRSA-N 1 1 285.391 3.007 20 30 CGEDMO C=CC1CCN(c2cc[nH+]cc2Br)CC1 ZINC000342223757 377634232 /nfs/dbraw/zinc/63/42/32/377634232.db2.gz NHBSKRYSKIQONM-UHFFFAOYSA-N 1 1 267.170 3.247 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc1 ZINC000253092943 377673929 /nfs/dbraw/zinc/67/39/29/377673929.db2.gz LRMMURZPAZDFDL-KZNAEPCWSA-N 1 1 284.403 3.074 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000265856252 190213039 /nfs/dbraw/zinc/21/30/39/190213039.db2.gz WKEPFUXESMSCQI-UHFFFAOYSA-N 1 1 287.190 3.440 20 30 CGEDMO C[N@@H+](Cc1ccc(CC#N)cc1)C(C1CC1)C1CC1 ZINC000342672085 377724108 /nfs/dbraw/zinc/72/41/08/377724108.db2.gz UIHARGUJMZRVHI-UHFFFAOYSA-N 1 1 254.377 3.373 20 30 CGEDMO COCC[C@@H]1CCCC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000342696409 377740651 /nfs/dbraw/zinc/74/06/51/377740651.db2.gz AICINEKAPHGZTP-KRWDZBQOSA-N 1 1 286.419 3.391 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1SC ZINC000342766101 377779646 /nfs/dbraw/zinc/77/96/46/377779646.db2.gz SDDMVOIKUBQJON-LBPRGKRZSA-N 1 1 278.421 3.243 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@H](CC(F)F)c2ccccc2)nc1 ZINC000575192776 377760617 /nfs/dbraw/zinc/76/06/17/377760617.db2.gz MQXOEOKMXQFGQJ-OAHLLOKOSA-N 1 1 287.313 3.439 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000342729631 377760924 /nfs/dbraw/zinc/76/09/24/377760924.db2.gz XKDBJRWZFNJSAF-LSDHHAIUSA-N 1 1 286.419 3.251 20 30 CGEDMO C[N@H+](CCc1cccc(Br)c1)CC1(C#N)CC1 ZINC000258965286 377801653 /nfs/dbraw/zinc/80/16/53/377801653.db2.gz SFUOBCWFVCARCN-UHFFFAOYSA-N 1 1 293.208 3.227 20 30 CGEDMO C[N@@H+](CCc1cccc(Br)c1)CC1(C#N)CC1 ZINC000258965286 377801660 /nfs/dbraw/zinc/80/16/60/377801660.db2.gz SFUOBCWFVCARCN-UHFFFAOYSA-N 1 1 293.208 3.227 20 30 CGEDMO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000342800290 377803250 /nfs/dbraw/zinc/80/32/50/377803250.db2.gz QXPRSMOOUNAZBN-RDBSUJKOSA-N 1 1 282.391 3.072 20 30 CGEDMO CCCCO[C@@H]1C[C@H]([N@@H+](C)CC2(C#N)CC2)C1(C)C ZINC000343323305 377953034 /nfs/dbraw/zinc/95/30/34/377953034.db2.gz JFQVQDXGBKRZIE-UONOGXRCSA-N 1 1 264.413 3.206 20 30 CGEDMO COc1ccc(C[N@@H+](C)Cc2ccc(OCC#N)cc2)cc1 ZINC000264175201 377960808 /nfs/dbraw/zinc/96/08/08/377960808.db2.gz WRIMEPVJQAYNNF-UHFFFAOYSA-N 1 1 296.370 3.230 20 30 CGEDMO CCC[C@H]1CN(CC2(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000343402546 377971905 /nfs/dbraw/zinc/97/19/05/377971905.db2.gz LXBYLIDFMQHBRY-SFHVURJKSA-N 1 1 297.446 3.277 20 30 CGEDMO CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000264409232 377983157 /nfs/dbraw/zinc/98/31/57/377983157.db2.gz GESSBSLVKDSMFG-LJQANCHMSA-N 1 1 294.398 3.331 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)C[C@H](C#N)CCC#N ZINC000264851189 377994563 /nfs/dbraw/zinc/99/45/63/377994563.db2.gz JDNLRASXYWDGFB-KRWDZBQOSA-N 1 1 267.376 3.161 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)C[C@H](C#N)CCC#N ZINC000264851189 377994566 /nfs/dbraw/zinc/99/45/66/377994566.db2.gz JDNLRASXYWDGFB-KRWDZBQOSA-N 1 1 267.376 3.161 20 30 CGEDMO COC(=O)[C@H](c1ccccc1)[N@H+](C)CCCC(C)(C)C#N ZINC000266958791 378029161 /nfs/dbraw/zinc/02/91/61/378029161.db2.gz WWDMGCGWRNNNES-HNNXBMFYSA-N 1 1 288.391 3.162 20 30 CGEDMO COC(=O)[C@H](c1ccccc1)[N@@H+](C)CCCC(C)(C)C#N ZINC000266958791 378029167 /nfs/dbraw/zinc/02/91/67/378029167.db2.gz WWDMGCGWRNNNES-HNNXBMFYSA-N 1 1 288.391 3.162 20 30 CGEDMO CCC[N@@H+](CC)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000343645283 378051350 /nfs/dbraw/zinc/05/13/50/378051350.db2.gz JTXXYOVSJJTYBU-NSHDSACASA-N 1 1 293.798 3.271 20 30 CGEDMO CC[N@H+](CCC1CCN(CC2(C#N)CC2)CC1)CC(C)C ZINC000343567109 378022972 /nfs/dbraw/zinc/02/29/72/378022972.db2.gz WAJLVGAPVSSFIE-UHFFFAOYSA-N 1 1 291.483 3.370 20 30 CGEDMO CC[N@@H+](CCC1CCN(CC2(C#N)CC2)CC1)CC(C)C ZINC000343567109 378022977 /nfs/dbraw/zinc/02/29/77/378022977.db2.gz WAJLVGAPVSSFIE-UHFFFAOYSA-N 1 1 291.483 3.370 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(OC(F)F)cc1 ZINC000343578420 378027058 /nfs/dbraw/zinc/02/70/58/378027058.db2.gz BYWHILTUPOGGDC-SNVBAGLBSA-N 1 1 266.291 3.242 20 30 CGEDMO CCCCOc1ccc(C[NH2+]CC2(C#N)CC2)cc1OC ZINC000580029023 378218550 /nfs/dbraw/zinc/21/85/50/378218550.db2.gz NJYAGEQPFJVILW-UHFFFAOYSA-N 1 1 288.391 3.267 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000344026187 378155915 /nfs/dbraw/zinc/15/59/15/378155915.db2.gz BKSJRAQZIUFFFV-JKSUJKDBSA-N 1 1 278.440 3.088 20 30 CGEDMO CC(C)(C#N)CCC[N@@H+](CCCO)Cc1ccccc1 ZINC000268951559 378160487 /nfs/dbraw/zinc/16/04/87/378160487.db2.gz FLBIVFFMICPCNZ-UHFFFAOYSA-N 1 1 274.408 3.201 20 30 CGEDMO C=C[C@@H](CC(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2)c1ccccc1 ZINC000579528603 378168499 /nfs/dbraw/zinc/16/84/99/378168499.db2.gz QWVJGKHLTNFKEI-RYQLBKOJSA-N 1 1 298.430 3.041 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)cn1)[C@H](C)Cc1ccsc1 ZINC000580900646 378266864 /nfs/dbraw/zinc/26/68/64/378266864.db2.gz QWUFOGNLTODTHH-CYBMUJFWSA-N 1 1 285.416 3.468 20 30 CGEDMO C=CCCCC[N@H+](CC)CC(=O)Nc1ccccc1OC ZINC000582341361 378304890 /nfs/dbraw/zinc/30/48/90/378304890.db2.gz HLVSGEFBIOYGGX-UHFFFAOYSA-N 1 1 290.407 3.312 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000583286070 378317679 /nfs/dbraw/zinc/31/76/79/378317679.db2.gz BJJOSQHKQSVSFS-XQQFMLRXSA-N 1 1 279.346 3.366 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CCc3c(F)cccc3C2)cc1 ZINC000270237993 378325342 /nfs/dbraw/zinc/32/53/42/378325342.db2.gz VEIAINLZLHUIGJ-UHFFFAOYSA-N 1 1 296.345 3.286 20 30 CGEDMO N#CCOc1ccc(C[N@@H+]2CCc3c(F)cccc3C2)cc1 ZINC000270237993 378325350 /nfs/dbraw/zinc/32/53/50/378325350.db2.gz VEIAINLZLHUIGJ-UHFFFAOYSA-N 1 1 296.345 3.286 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cn2)[C@H]2CCCC[C@H]12 ZINC000583880185 378355700 /nfs/dbraw/zinc/35/57/00/378355700.db2.gz PVXMXBOZOLOFRD-XYPHTWIQSA-N 1 1 269.392 3.354 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)Cc1cccc(C(=O)OC)n1 ZINC000583911331 378358519 /nfs/dbraw/zinc/35/85/19/378358519.db2.gz JMADFZKMBSVMNR-UHFFFAOYSA-N 1 1 296.370 3.056 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)OC)n1 ZINC000583911331 378358520 /nfs/dbraw/zinc/35/85/20/378358520.db2.gz JMADFZKMBSVMNR-UHFFFAOYSA-N 1 1 296.370 3.056 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CCc3ccsc3C2)cc1 ZINC000270926417 378414091 /nfs/dbraw/zinc/41/40/91/378414091.db2.gz PPRCJADUAQLDQJ-UHFFFAOYSA-N 1 1 284.384 3.209 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000271057329 378443363 /nfs/dbraw/zinc/44/33/63/378443363.db2.gz RILUMAHYFCLKST-OAHLLOKOSA-N 1 1 273.376 3.254 20 30 CGEDMO C#CCCC[N@@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000271073605 378446979 /nfs/dbraw/zinc/44/69/79/378446979.db2.gz WFLKVIDQVZQWRF-OAHLLOKOSA-N 1 1 295.329 3.075 20 30 CGEDMO C#CCCC[N@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000271073605 378446982 /nfs/dbraw/zinc/44/69/82/378446982.db2.gz WFLKVIDQVZQWRF-OAHLLOKOSA-N 1 1 295.329 3.075 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)CCc1scnc1C ZINC000272306441 378609031 /nfs/dbraw/zinc/60/90/31/378609031.db2.gz QTNAEJBVQCSVAR-UHFFFAOYSA-N 1 1 276.405 3.318 20 30 CGEDMO CC[C@@H](c1ccccc1)[N@@H+](CC)CC(=O)NC1(C#N)CCC1 ZINC000346868810 378694971 /nfs/dbraw/zinc/69/49/71/378694971.db2.gz IEYKZDAREWVYQW-INIZCTEOSA-N 1 1 299.418 3.022 20 30 CGEDMO C=CCCC[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272463014 378642875 /nfs/dbraw/zinc/64/28/75/378642875.db2.gz KOOZFSBOACTWAB-SJLPKXTDSA-N 1 1 272.436 3.453 20 30 CGEDMO C=CCOCCC[N@@H+]1C[C@@H](C)OC[C@@H]1c1ccccc1 ZINC000348035406 378760304 /nfs/dbraw/zinc/76/03/04/378760304.db2.gz OGSZCHZQKDCNHN-NVXWUHKLSA-N 1 1 275.392 3.041 20 30 CGEDMO C=CCOCCC[N@@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000348041354 378763353 /nfs/dbraw/zinc/76/33/53/378763353.db2.gz XLIWKPIBDBJZRH-KRWDZBQOSA-N 1 1 299.418 3.303 20 30 CGEDMO C=CCOCCC[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000348044613 378764245 /nfs/dbraw/zinc/76/42/45/378764245.db2.gz BKHUNYQWWCAFHM-GOSISDBHSA-N 1 1 288.435 3.180 20 30 CGEDMO C=CCOCCC[N@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000348044065 378765138 /nfs/dbraw/zinc/76/51/38/378765138.db2.gz YPVJWCQRHDOATF-VLIAUNLRSA-N 1 1 295.448 3.010 20 30 CGEDMO C=CCOCCC[N@@H+]1CCC[C@@H]1c1ccc(COC)o1 ZINC000348048584 378766814 /nfs/dbraw/zinc/76/68/14/378766814.db2.gz NAVYFQNFLDPTDW-OAHLLOKOSA-N 1 1 279.380 3.156 20 30 CGEDMO C#CC[N@H+](Cc1cc(=O)oc2cc(C)c(C)cc12)C1CC1 ZINC000274247808 378797529 /nfs/dbraw/zinc/79/75/29/378797529.db2.gz ZBQBAZXPUKQKGG-UHFFFAOYSA-N 1 1 281.355 3.007 20 30 CGEDMO C=CCOCCC[N@@H+]1CCCC[C@H](SCC)C1 ZINC000348032707 378759637 /nfs/dbraw/zinc/75/96/37/378759637.db2.gz LPPVTNFTHWORDY-AWEZNQCLSA-N 1 1 257.443 3.187 20 30 CGEDMO C=C(C)CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274748796 378887616 /nfs/dbraw/zinc/88/76/16/378887616.db2.gz AARMCNDRPTYXRD-GOSISDBHSA-N 1 1 272.436 3.407 20 30 CGEDMO C=C(C)CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274748796 378887622 /nfs/dbraw/zinc/88/76/22/378887622.db2.gz AARMCNDRPTYXRD-GOSISDBHSA-N 1 1 272.436 3.407 20 30 CGEDMO C=C(C)CC[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000274748796 378887627 /nfs/dbraw/zinc/88/76/27/378887627.db2.gz AARMCNDRPTYXRD-GOSISDBHSA-N 1 1 272.436 3.407 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000274748796 378887633 /nfs/dbraw/zinc/88/76/33/378887633.db2.gz AARMCNDRPTYXRD-GOSISDBHSA-N 1 1 272.436 3.407 20 30 CGEDMO C=C(C)CC[N@@H+]1CCSC[C@@H]1c1nccs1 ZINC000274810022 378900129 /nfs/dbraw/zinc/90/01/29/378900129.db2.gz HOSYVPFLTMSOGN-LLVKDONJSA-N 1 1 254.424 3.199 20 30 CGEDMO C=C(C)CC[N@H+]1CCSC[C@@H]1c1nccs1 ZINC000274810022 378900132 /nfs/dbraw/zinc/90/01/32/378900132.db2.gz HOSYVPFLTMSOGN-LLVKDONJSA-N 1 1 254.424 3.199 20 30 CGEDMO C=CC[C@@H](C(=O)NCCCn1cc[nH+]c1C)c1ccccc1 ZINC000275153101 378945318 /nfs/dbraw/zinc/94/53/18/378945318.db2.gz PXNFJZIMZMLECM-QGZVFWFLSA-N 1 1 297.402 3.058 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1[C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000639111900 379035820 /nfs/dbraw/zinc/03/58/20/379035820.db2.gz KQIINMAMSNSBQY-HUUCEWRRSA-N 1 1 274.412 3.467 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1[C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000639111900 379035822 /nfs/dbraw/zinc/03/58/22/379035822.db2.gz KQIINMAMSNSBQY-HUUCEWRRSA-N 1 1 274.412 3.467 20 30 CGEDMO CN(C)CC[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CC=CCC1 ZINC000348904723 379107010 /nfs/dbraw/zinc/10/70/10/379107010.db2.gz NFMCIZAZERXTIT-SFHVURJKSA-N 1 1 297.446 3.278 20 30 CGEDMO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C[C@H]1CC=CCC1 ZINC000348904723 379107012 /nfs/dbraw/zinc/10/70/12/379107012.db2.gz NFMCIZAZERXTIT-SFHVURJKSA-N 1 1 297.446 3.278 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2cnn(CCOC)c2)CCCC1(C)C ZINC000278745423 194135519 /nfs/dbraw/zinc/13/55/19/194135519.db2.gz ROIMLGRMNYOKTF-MRXNPFEDSA-N 1 1 291.439 3.096 20 30 CGEDMO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCCCCO ZINC000278781311 194152988 /nfs/dbraw/zinc/15/29/88/194152988.db2.gz DCYNBCFUWVNGAE-UHFFFAOYSA-N 1 1 299.336 3.151 20 30 CGEDMO CC(C)C[N@H+](CCC#N)CCOc1cccc(F)c1 ZINC000739914350 572426621 /nfs/dbraw/zinc/42/66/21/572426621.db2.gz JAPAOFGLBBMYRS-UHFFFAOYSA-N 1 1 264.344 3.076 20 30 CGEDMO CN(CC[C@@H]1CCCC[N@H+]1C)Cc1cc(C#N)ccc1F ZINC000266578669 190268259 /nfs/dbraw/zinc/26/82/59/190268259.db2.gz HEFVQMRUTAATIF-INIZCTEOSA-N 1 1 289.398 3.004 20 30 CGEDMO C#CC[N@H+](Cc1ccc(F)cc1)C[C@@H]1CCSC1 ZINC000278406855 379377289 /nfs/dbraw/zinc/37/72/89/379377289.db2.gz GQADWXJEAHFJNI-AWEZNQCLSA-N 1 1 263.381 3.014 20 30 CGEDMO C=C(C)C[N@@H+](CCc1cnccn1)Cc1ccccc1 ZINC000639619180 379509883 /nfs/dbraw/zinc/50/98/83/379509883.db2.gz YXGNHFDSIOVTMU-UHFFFAOYSA-N 1 1 267.376 3.097 20 30 CGEDMO C=CC[N@@H+](C)Cc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000639811058 379596609 /nfs/dbraw/zinc/59/66/09/379596609.db2.gz PNGMKUWRBHOOAB-UHFFFAOYSA-N 1 1 269.270 3.200 20 30 CGEDMO C=CC[N@H+](C)Cc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000639811058 379596618 /nfs/dbraw/zinc/59/66/18/379596618.db2.gz PNGMKUWRBHOOAB-UHFFFAOYSA-N 1 1 269.270 3.200 20 30 CGEDMO CC[N@@H+]1[C@H](C)CN(CC#Cc2ccccc2Cl)C[C@@H]1C ZINC000639742590 379564382 /nfs/dbraw/zinc/56/43/82/379564382.db2.gz QCANPURUSSELED-GASCZTMLSA-N 1 1 290.838 3.106 20 30 CGEDMO C=CC[N@H+](C[C@@H](C)CC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000350986747 379621511 /nfs/dbraw/zinc/62/15/11/379621511.db2.gz GCRBWLJCOCUBEK-GJZGRUSLSA-N 1 1 299.422 3.257 20 30 CGEDMO C[C@@H](C#N)C[N@H+](C)CCn1ccc2cc(Cl)ccc21 ZINC000351496731 379725288 /nfs/dbraw/zinc/72/52/88/379725288.db2.gz SDMKGMXCPLXBGK-LBPRGKRZSA-N 1 1 275.783 3.386 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C)CCn1ccc2cc(Cl)ccc21 ZINC000351496731 379725297 /nfs/dbraw/zinc/72/52/97/379725297.db2.gz SDMKGMXCPLXBGK-LBPRGKRZSA-N 1 1 275.783 3.386 20 30 CGEDMO CCN(CCC#N)C(=O)C[N@H+]1CCCC[C@H]1CCC(C)C ZINC000351680363 379737476 /nfs/dbraw/zinc/73/74/76/379737476.db2.gz QQEWPFXNAMNNFT-INIZCTEOSA-N 1 1 293.455 3.039 20 30 CGEDMO CC[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(OC)c(OC)c1 ZINC000352242919 379756416 /nfs/dbraw/zinc/75/64/16/379756416.db2.gz UFBGYQXEOPXMCN-CYBMUJFWSA-N 1 1 274.364 3.048 20 30 CGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](CCC)C1CC1 ZINC000351772900 379743609 /nfs/dbraw/zinc/74/36/09/379743609.db2.gz ALWYOJKDHJRGMV-QGZVFWFLSA-N 1 1 289.419 3.029 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)s1 ZINC000377836194 379748619 /nfs/dbraw/zinc/74/86/19/379748619.db2.gz ZPHYWYFJVBUQGJ-KBPBESRZSA-N 1 1 290.432 3.258 20 30 CGEDMO C=C(CC)C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000398044434 379926958 /nfs/dbraw/zinc/92/69/58/379926958.db2.gz UYUYGZSZAXEMCI-FUHWJXTLSA-N 1 1 272.436 3.453 20 30 CGEDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000399759300 379944734 /nfs/dbraw/zinc/94/47/34/379944734.db2.gz NTDJAWMHVCLNHW-WFASDCNBSA-N 1 1 258.365 3.187 20 30 CGEDMO CC(C)C[C@H]1COCC[N@H+]1CCCCC(C)(C)C#N ZINC000409446035 380033290 /nfs/dbraw/zinc/03/32/90/380033290.db2.gz OUPQXXWXJMUVJH-HNNXBMFYSA-N 1 1 266.429 3.453 20 30 CGEDMO CC(C)C[C@@H]1COCC[N@H+]1CCCCC(C)(C)C#N ZINC000409446036 380034019 /nfs/dbraw/zinc/03/40/19/380034019.db2.gz OUPQXXWXJMUVJH-OAHLLOKOSA-N 1 1 266.429 3.453 20 30 CGEDMO CCN1CC[C@H]([N@H+](C)CCCCC(C)(C)C#N)[C@H](C)C1 ZINC000409446496 380035433 /nfs/dbraw/zinc/03/54/33/380035433.db2.gz RUYCTULZXLOSKC-CVEARBPZSA-N 1 1 279.472 3.369 20 30 CGEDMO CCN1CC[C@H]([N@@H+](C)CCCCC(C)(C)C#N)[C@H](C)C1 ZINC000409446496 380035441 /nfs/dbraw/zinc/03/54/41/380035441.db2.gz RUYCTULZXLOSKC-CVEARBPZSA-N 1 1 279.472 3.369 20 30 CGEDMO CC(C)c1cccc(C[NH2+]Cc2nc(C#N)cs2)c1 ZINC000352885408 380017767 /nfs/dbraw/zinc/01/77/67/380017767.db2.gz DUPCOFNSRGJUKK-UHFFFAOYSA-N 1 1 271.389 3.428 20 30 CGEDMO CCC[N@H+](CCN1CCCC1)Cc1ccc(CC#N)cc1 ZINC000352888152 380020356 /nfs/dbraw/zinc/02/03/56/380020356.db2.gz MISDGSBIFRXZLY-UHFFFAOYSA-N 1 1 285.435 3.060 20 30 CGEDMO CCC[N@@H+](CCN1CCCC1)Cc1ccc(CC#N)cc1 ZINC000352888152 380020365 /nfs/dbraw/zinc/02/03/65/380020365.db2.gz MISDGSBIFRXZLY-UHFFFAOYSA-N 1 1 285.435 3.060 20 30 CGEDMO C[C@@H](CCC#N)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000411237085 380136249 /nfs/dbraw/zinc/13/62/49/380136249.db2.gz MSMYMUUAFRZTTL-INIZCTEOSA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@@H](CCC#N)[N@@H+]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000411237085 380136255 /nfs/dbraw/zinc/13/62/55/380136255.db2.gz MSMYMUUAFRZTTL-INIZCTEOSA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000411237085 380136259 /nfs/dbraw/zinc/13/62/59/380136259.db2.gz MSMYMUUAFRZTTL-INIZCTEOSA-N 1 1 285.435 3.275 20 30 CGEDMO CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1(C#N)CCCCC1 ZINC000411313778 380139568 /nfs/dbraw/zinc/13/95/68/380139568.db2.gz YFFKYHUYUIFUHJ-SJORKVTESA-N 1 1 289.467 3.409 20 30 CGEDMO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CCC1(C#N)CCCCC1 ZINC000411313778 380139573 /nfs/dbraw/zinc/13/95/73/380139573.db2.gz YFFKYHUYUIFUHJ-SJORKVTESA-N 1 1 289.467 3.409 20 30 CGEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CCC1(C#N)CCCCC1 ZINC000411313778 380139580 /nfs/dbraw/zinc/13/95/80/380139580.db2.gz YFFKYHUYUIFUHJ-SJORKVTESA-N 1 1 289.467 3.409 20 30 CGEDMO N#CC1(CC[N@H+]2CCc3ccccc3[C@H]2CO)CCCCC1 ZINC000411392496 380141903 /nfs/dbraw/zinc/14/19/03/380141903.db2.gz PYYZRENFODLDEF-GOSISDBHSA-N 1 1 298.430 3.442 20 30 CGEDMO CC[C@@H]1CO[C@H](C)C[N@H+]1CCC1(C#N)CCCCC1 ZINC000411168894 380132096 /nfs/dbraw/zinc/13/20/96/380132096.db2.gz QVXWIKFJEQVQKC-HUUCEWRRSA-N 1 1 264.413 3.350 20 30 CGEDMO CC(C)C[N@H+]1CC[C@H](CNc2snc(Cl)c2C#N)C1 ZINC000268211582 190387108 /nfs/dbraw/zinc/38/71/08/190387108.db2.gz IJMBRJQMQVBNNK-SNVBAGLBSA-N 1 1 298.843 3.058 20 30 CGEDMO CC[C@]1(CO)CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411574995 380151600 /nfs/dbraw/zinc/15/16/00/380151600.db2.gz WQCMXXDIIBUCCP-INIZCTEOSA-N 1 1 278.440 3.335 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000411558954 380151878 /nfs/dbraw/zinc/15/18/78/380151878.db2.gz MSUFDCHEXMSMKE-WMLDXEAASA-N 1 1 270.376 3.200 20 30 CGEDMO C=CC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000414310111 380210940 /nfs/dbraw/zinc/21/09/40/380210940.db2.gz WBBRMFIYEPLVIN-CEXWTWQISA-N 1 1 284.447 3.390 20 30 CGEDMO CCOc1ccc(C[N@H+](C)CC(C)(C)C#N)cc1OCC ZINC000354037582 380292142 /nfs/dbraw/zinc/29/21/42/380292142.db2.gz IMZKDTROXRNPBV-UHFFFAOYSA-N 1 1 290.407 3.466 20 30 CGEDMO CCOc1ccc(C[N@@H+](C)CC(C)(C)C#N)cc1OCC ZINC000354037582 380292150 /nfs/dbraw/zinc/29/21/50/380292150.db2.gz IMZKDTROXRNPBV-UHFFFAOYSA-N 1 1 290.407 3.466 20 30 CGEDMO CC1(C)C[N@@H+](Cc2cnc3ccc(C#N)cn23)[C@@H]2CCC[C@@H]21 ZINC000354581527 380493788 /nfs/dbraw/zinc/49/37/88/380493788.db2.gz QAHLYMVSXDKENM-JKSUJKDBSA-N 1 1 294.402 3.216 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)cc1 ZINC000355111160 380578539 /nfs/dbraw/zinc/57/85/39/380578539.db2.gz QWCSMHYFVVMJTE-SJLPKXTDSA-N 1 1 287.403 3.252 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H]3COCC[C@H]32)cc1 ZINC000355111156 380578565 /nfs/dbraw/zinc/57/85/65/380578565.db2.gz QWCSMHYFVVMJTE-FUHWJXTLSA-N 1 1 287.403 3.252 20 30 CGEDMO N#Cc1cccc([C@H]2C[N@@H+](C[C@@H]3CC=CCC3)CCO2)c1 ZINC000355140331 380595543 /nfs/dbraw/zinc/59/55/43/380595543.db2.gz UAIVHMFRWYJDKY-CRAIPNDOSA-N 1 1 282.387 3.288 20 30 CGEDMO C=CC[N@@H+](CCOCC1CCC1)CCc1ccco1 ZINC000419244491 380787510 /nfs/dbraw/zinc/78/75/10/380787510.db2.gz KMNZCTBEBGGTKU-UHFFFAOYSA-N 1 1 263.381 3.127 20 30 CGEDMO CC[N@@H+](Cc1nc(C#N)cs1)[C@@H]1CCCC[C@H]1C ZINC000419248261 380788692 /nfs/dbraw/zinc/78/86/92/380788692.db2.gz CNCVHEPSPOOFNB-DGCLKSJQSA-N 1 1 263.410 3.415 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]1COc1cccnc1C ZINC000419400296 380827719 /nfs/dbraw/zinc/82/77/19/380827719.db2.gz LOTOEHVJPJLERH-HNNXBMFYSA-N 1 1 260.381 3.199 20 30 CGEDMO N#Cc1ccc2ncc(C[N@H+]3CC[C@H](C4CCCC4)C3)n2c1 ZINC000421395765 380944828 /nfs/dbraw/zinc/94/48/28/380944828.db2.gz VJHNFEPSHKIJBT-INIZCTEOSA-N 1 1 294.402 3.218 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c1F ZINC000334807801 207112421 /nfs/dbraw/zinc/11/24/21/207112421.db2.gz OCLCIWHFAVCOOA-IRXDYDNUSA-N 1 1 296.345 3.005 20 30 CGEDMO N#Cc1cccc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c1F ZINC000334807801 207112423 /nfs/dbraw/zinc/11/24/23/207112423.db2.gz OCLCIWHFAVCOOA-IRXDYDNUSA-N 1 1 296.345 3.005 20 30 CGEDMO C=C(CC)C[N@@H+](CC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000358628043 381319023 /nfs/dbraw/zinc/31/90/23/381319023.db2.gz ZDMKIJABZWCDCK-UHFFFAOYSA-N 1 1 271.364 3.124 20 30 CGEDMO C=C(CC)C[N@H+](CC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000358628043 381319026 /nfs/dbraw/zinc/31/90/26/381319026.db2.gz ZDMKIJABZWCDCK-UHFFFAOYSA-N 1 1 271.364 3.124 20 30 CGEDMO COc1ccc2c(c1)C[C@@H](C)[N@@H+](CC1(C#N)CC1)[C@@H]2C ZINC000359643328 381358941 /nfs/dbraw/zinc/35/89/41/381358941.db2.gz ZFTUXXTUGYXSTR-CHWSQXEVSA-N 1 1 270.376 3.307 20 30 CGEDMO COc1ccc2c(c1)C[C@@H](C)[N@H+](CC1(C#N)CC1)[C@@H]2C ZINC000359643328 381358947 /nfs/dbraw/zinc/35/89/47/381358947.db2.gz ZFTUXXTUGYXSTR-CHWSQXEVSA-N 1 1 270.376 3.307 20 30 CGEDMO C=CC[N@H+](Cc1cncc(C(F)(F)F)c1)C1CC1 ZINC000361348114 381711345 /nfs/dbraw/zinc/71/13/45/381711345.db2.gz HLTZPQJNMWYTJN-UHFFFAOYSA-N 1 1 256.271 3.251 20 30 CGEDMO CC(C)C[N@@H+](Cc1cc(C#N)n(C)c1)C1CCCC1 ZINC000361497380 381776256 /nfs/dbraw/zinc/77/62/56/381776256.db2.gz PBMZVOMYMVGOBV-UHFFFAOYSA-N 1 1 259.397 3.297 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000361593800 381825454 /nfs/dbraw/zinc/82/54/54/381825454.db2.gz HQIZBZIUESXAGA-SFHVURJKSA-N 1 1 273.420 3.270 20 30 CGEDMO Cc1ccccc1[C@H]1CC[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000361579408 381815254 /nfs/dbraw/zinc/81/52/54/381815254.db2.gz RXNXOUSOZBWXAE-INIZCTEOSA-N 1 1 279.387 3.195 20 30 CGEDMO C=CCCC[C@@H](C)[N@@H+]1CCO[C@@H](c2cnn(CC)c2)C1 ZINC000362091973 381882554 /nfs/dbraw/zinc/88/25/54/381882554.db2.gz ZJIUYMBUDRIBND-GDBMZVCRSA-N 1 1 277.412 3.021 20 30 CGEDMO C=CC[N@@H+](C/C=C\c1ccc(F)cc1F)CCOC ZINC000361634798 381847153 /nfs/dbraw/zinc/84/71/53/381847153.db2.gz CGSWMRYWCZFVGS-PLNGDYQASA-N 1 1 267.319 3.112 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CC[C@H](C)C1 ZINC000361639413 381848655 /nfs/dbraw/zinc/84/86/55/381848655.db2.gz ONGFPHLPPGVROM-QWHCGFSZSA-N 1 1 278.421 3.257 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccc(Cl)cc1C ZINC000361634979 381849754 /nfs/dbraw/zinc/84/97/54/381849754.db2.gz CUMWSJCQSRYTKW-UHFFFAOYSA-N 1 1 253.773 3.283 20 30 CGEDMO Cc1cnc(CC[N@@H+](C)Cc2cccc(F)c2C#N)s1 ZINC000362298879 381933591 /nfs/dbraw/zinc/93/35/91/381933591.db2.gz MSJSUCMMBKOHCH-UHFFFAOYSA-N 1 1 289.379 3.137 20 30 CGEDMO Cc1cnc(CC[N@H+](C)Cc2cccc(F)c2C#N)s1 ZINC000362298879 381933597 /nfs/dbraw/zinc/93/35/97/381933597.db2.gz MSJSUCMMBKOHCH-UHFFFAOYSA-N 1 1 289.379 3.137 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCc1cccnc1 ZINC000362440804 381993102 /nfs/dbraw/zinc/99/31/02/381993102.db2.gz SDTMUCXCPZWCTG-RBUKOAKNSA-N 1 1 291.398 3.396 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)cc1 ZINC000363408943 382218241 /nfs/dbraw/zinc/21/82/41/382218241.db2.gz JKCYIYXMXXSSLT-SFHVURJKSA-N 1 1 278.355 3.212 20 30 CGEDMO C[N@H+]1Cc2ccccc2[C@@H](Nc2ncc(C#N)cc2Cl)C1 ZINC000363450069 382222368 /nfs/dbraw/zinc/22/23/68/382222368.db2.gz ORRQFKSEZHKYOJ-HNNXBMFYSA-N 1 1 298.777 3.205 20 30 CGEDMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2ncc(C#N)cc2Cl)C1 ZINC000363450069 382222373 /nfs/dbraw/zinc/22/23/73/382222373.db2.gz ORRQFKSEZHKYOJ-HNNXBMFYSA-N 1 1 298.777 3.205 20 30 CGEDMO N#CCCCC[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000364344650 382269380 /nfs/dbraw/zinc/26/93/80/382269380.db2.gz ZANAVOSBXSSWBQ-QGZVFWFLSA-N 1 1 270.376 3.202 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)c2cccc(C)c2)n1 ZINC000279753818 194554250 /nfs/dbraw/zinc/55/42/50/194554250.db2.gz QNAKKFVABAZBRU-INIZCTEOSA-N 1 1 281.403 3.408 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)[C@@H](C)c2cccc(C)c2)n1 ZINC000279753818 194554253 /nfs/dbraw/zinc/55/42/53/194554253.db2.gz QNAKKFVABAZBRU-INIZCTEOSA-N 1 1 281.403 3.408 20 30 CGEDMO C[C@@H]([NH2+][C@H](c1nccn1C)C1CC1)c1ccc(C#N)cc1 ZINC000353875010 220382643 /nfs/dbraw/zinc/38/26/43/220382643.db2.gz YTKWNGCKRPAPMU-WBMJQRKESA-N 1 1 280.375 3.094 20 30 CGEDMO C[C@@H](C1CC1)n1cc(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)cn1 ZINC000330313446 533371531 /nfs/dbraw/zinc/37/15/31/533371531.db2.gz OTPNWKMNGYEYMX-XQQFMLRXSA-N 1 1 290.411 3.315 20 30 CGEDMO CC[C@](C)([NH2+]Cc1cc(C#N)n(C)c1)c1nc(C)cs1 ZINC000191196743 130199656 /nfs/dbraw/zinc/19/96/56/130199656.db2.gz HREKUTBDNNQNGF-HNNXBMFYSA-N 1 1 288.420 3.077 20 30 CGEDMO CCCn1ccnc1CCC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000191493114 130243995 /nfs/dbraw/zinc/24/39/95/130243995.db2.gz YSAORAXXYNIEGA-UHFFFAOYSA-N 1 1 296.418 3.229 20 30 CGEDMO Cc1cc([NH+](C)C)cc(C)c1NCc1cc(C#N)n(C)c1 ZINC000191597569 130260216 /nfs/dbraw/zinc/26/02/16/130260216.db2.gz UKIRQFCPFLMJCD-UHFFFAOYSA-N 1 1 282.391 3.192 20 30 CGEDMO C[N@H+](CC#Cc1ccccc1)CCc1cccs1 ZINC000192046274 130358179 /nfs/dbraw/zinc/35/81/79/130358179.db2.gz YQLUEVQPTYMQOU-UHFFFAOYSA-N 1 1 255.386 3.274 20 30 CGEDMO C[N@@H+](CCOc1cccc(C#N)c1)Cc1ccc(F)cc1 ZINC000048331327 391997243 /nfs/dbraw/zinc/99/72/43/391997243.db2.gz WRQNWMGBOKIMAT-UHFFFAOYSA-N 1 1 284.334 3.208 20 30 CGEDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)[C@H](C)C1 ZINC000051731832 392073671 /nfs/dbraw/zinc/07/36/71/392073671.db2.gz JBGVUJBBUGKFMW-ZIAGYGMSSA-N 1 1 285.391 3.007 20 30 CGEDMO C[C@H]1CCCC[C@@H]1[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000055386606 392097458 /nfs/dbraw/zinc/09/74/58/392097458.db2.gz JVPVLGAOLIAOSI-YOEHRIQHSA-N 1 1 272.392 3.448 20 30 CGEDMO CCc1cnc(C[N@@H+](C)CC(C)(C)CCC#N)s1 ZINC000093807772 392240709 /nfs/dbraw/zinc/24/07/09/392240709.db2.gz HKOXBQPGJUYYMB-UHFFFAOYSA-N 1 1 265.426 3.467 20 30 CGEDMO C=CCC[N@@H+](C)[C@H](C)c1noc(-c2ccccc2)n1 ZINC000284217454 392310340 /nfs/dbraw/zinc/31/03/40/392310340.db2.gz UDKCPFGTDRAOIE-GFCCVEGCSA-N 1 1 257.337 3.306 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)c1noc(-c2ccccc2)n1 ZINC000284217454 392310342 /nfs/dbraw/zinc/31/03/42/392310342.db2.gz UDKCPFGTDRAOIE-GFCCVEGCSA-N 1 1 257.337 3.306 20 30 CGEDMO C#CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1nc(C(C)C)no1 ZINC000285134475 392319411 /nfs/dbraw/zinc/31/94/11/392319411.db2.gz ODJQVLFOYSUYDK-ZBFHGGJFSA-N 1 1 297.402 3.478 20 30 CGEDMO COc1cc(C[NH2+][C@H](C)c2ncc(C)s2)ccc1C#N ZINC000234951037 130945084 /nfs/dbraw/zinc/94/50/84/130945084.db2.gz VYYKNQXVSLNCOX-LLVKDONJSA-N 1 1 287.388 3.183 20 30 CGEDMO COCC[N@H+](Cc1ccc(C#N)s1)C[C@@H]1CC=CCC1 ZINC000361678363 392294671 /nfs/dbraw/zinc/29/46/71/392294671.db2.gz NVNFEBPINSJBBE-CQSZACIVSA-N 1 1 290.432 3.424 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000285923283 392349258 /nfs/dbraw/zinc/34/92/58/392349258.db2.gz LJBNMYGVRRVEIN-BRWVUGGUSA-N 1 1 257.377 3.067 20 30 CGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@@H]1C ZINC000245433710 131084831 /nfs/dbraw/zinc/08/48/31/131084831.db2.gz BYMRBWLFKGTSMG-WDEREUQCSA-N 1 1 291.782 3.023 20 30 CGEDMO CC(C)CO[C@H]1CC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000247627197 131104926 /nfs/dbraw/zinc/10/49/26/131104926.db2.gz NPJFYQOXBYKZOY-PBHICJAKSA-N 1 1 272.392 3.366 20 30 CGEDMO C[C@H](c1cccc(O)c1)[N@@H+](C)CCOc1ccccc1C#N ZINC000109782269 392375119 /nfs/dbraw/zinc/37/51/19/392375119.db2.gz SWPBTFMFAATWTI-CQSZACIVSA-N 1 1 296.370 3.336 20 30 CGEDMO N#CCCC[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000121797385 392415997 /nfs/dbraw/zinc/41/59/97/392415997.db2.gz XCJQHGBLZYZZRB-GFCCVEGCSA-N 1 1 262.378 3.089 20 30 CGEDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc(C#N)s1 ZINC000289241244 392416949 /nfs/dbraw/zinc/41/69/49/392416949.db2.gz DSRDUALPBOQSHK-STQMWFEESA-N 1 1 278.421 3.135 20 30 CGEDMO COC(=O)c1cc(C[N@@H+](C)CC(C)(C)CCC#N)oc1C ZINC000122444077 392423150 /nfs/dbraw/zinc/42/31/50/392423150.db2.gz NTOQHMUUGZGILX-UHFFFAOYSA-N 1 1 292.379 3.136 20 30 CGEDMO C#Cc1ccc(C[NH2+][C@@H](C)c2nnc([C@H](C)CC)[nH]2)cc1 ZINC000289703722 392430158 /nfs/dbraw/zinc/43/01/58/392430158.db2.gz NQLVMPMSJPFHCP-OLZOCXBDSA-N 1 1 282.391 3.150 20 30 CGEDMO C=C[C@@H](CO)[NH2+][C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000289804874 392433170 /nfs/dbraw/zinc/43/31/70/392433170.db2.gz OEQWZYOXWCOTEA-SFYZADRCSA-N 1 1 278.154 3.330 20 30 CGEDMO C=C(C)C[N@@H+](Cc1c(C)cnn1C)Cc1ccccc1 ZINC000289794156 392433515 /nfs/dbraw/zinc/43/35/15/392433515.db2.gz SABQOOBBUASMPW-UHFFFAOYSA-N 1 1 269.392 3.307 20 30 CGEDMO C=C(C)C[N@H+](Cc1c(C)cnn1C)Cc1ccccc1 ZINC000289794156 392433518 /nfs/dbraw/zinc/43/35/18/392433518.db2.gz SABQOOBBUASMPW-UHFFFAOYSA-N 1 1 269.392 3.307 20 30 CGEDMO C#Cc1ccc(C[NH2+]C(C)(C)c2nc(C)cs2)cc1 ZINC000290407629 392446427 /nfs/dbraw/zinc/44/64/27/392446427.db2.gz PXWVQRFIPAXHFQ-UHFFFAOYSA-N 1 1 270.401 3.458 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](C)CCCn2ccnc2C)c1 ZINC000290454610 392447856 /nfs/dbraw/zinc/44/78/56/392447856.db2.gz MPCXZWYANULVTH-UHFFFAOYSA-N 1 1 299.418 3.278 20 30 CGEDMO CC#CCC[N@H+](Cc1ccccc1OC)C[C@@H]1CCCO1 ZINC000155098922 392538094 /nfs/dbraw/zinc/53/80/94/392538094.db2.gz ATYIGQXGJWDWLE-KRWDZBQOSA-N 1 1 287.403 3.090 20 30 CGEDMO COCC[N@H+](Cc1ccc(C#N)cc1Cl)CC(C)C ZINC000162884429 392599712 /nfs/dbraw/zinc/59/97/12/392599712.db2.gz CJQUKWFYWSODRP-UHFFFAOYSA-N 1 1 280.799 3.316 20 30 CGEDMO C[N@@H+](CCCC(C)(C)C#N)Cc1ccc2c(c1)OCO2 ZINC000174811048 392645936 /nfs/dbraw/zinc/64/59/36/392645936.db2.gz YVVLJJNVKACWKF-UHFFFAOYSA-N 1 1 274.364 3.177 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000181270381 392726487 /nfs/dbraw/zinc/72/64/87/392726487.db2.gz HIOYQLJVCZOFBT-GFCCVEGCSA-N 1 1 280.799 3.483 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000181270381 392726492 /nfs/dbraw/zinc/72/64/92/392726492.db2.gz HIOYQLJVCZOFBT-GFCCVEGCSA-N 1 1 280.799 3.483 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000181270400 392726703 /nfs/dbraw/zinc/72/67/03/392726703.db2.gz HIOYQLJVCZOFBT-LBPRGKRZSA-N 1 1 280.799 3.483 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000181270400 392726711 /nfs/dbraw/zinc/72/67/11/392726711.db2.gz HIOYQLJVCZOFBT-LBPRGKRZSA-N 1 1 280.799 3.483 20 30 CGEDMO CC[N@H+](Cc1cccc2cnccc21)C[C@@H](C)C#N ZINC000183128126 392753077 /nfs/dbraw/zinc/75/30/77/392753077.db2.gz YNAMRSLQCJGSRQ-ZDUSSCGKSA-N 1 1 253.349 3.216 20 30 CGEDMO C[C@H]1CCSCC[N@H+]1Cc1cccc(C#N)c1F ZINC000334300619 392719442 /nfs/dbraw/zinc/71/94/42/392719442.db2.gz VAVWEKMSHWHBOT-NSHDSACASA-N 1 1 264.369 3.025 20 30 CGEDMO CCCC[N@@H+](CCOC)Cc1ccc(C#N)cc1C ZINC000186227337 392778307 /nfs/dbraw/zinc/77/83/07/392778307.db2.gz HOQDVTHFZZZFDW-UHFFFAOYSA-N 1 1 260.381 3.115 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCn2cccc2[C@@H]1C ZINC000186162936 392778435 /nfs/dbraw/zinc/77/84/35/392778435.db2.gz PJFTYRDDUJXRFW-AWEZNQCLSA-N 1 1 265.360 3.245 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCn2cccc2[C@@H]1C ZINC000186162936 392778444 /nfs/dbraw/zinc/77/84/44/392778444.db2.gz PJFTYRDDUJXRFW-AWEZNQCLSA-N 1 1 265.360 3.245 20 30 CGEDMO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000187065170 392788147 /nfs/dbraw/zinc/78/81/47/392788147.db2.gz MXGLZIKBRSHCOQ-HOTGVXAUSA-N 1 1 292.810 3.337 20 30 CGEDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000187065170 392788150 /nfs/dbraw/zinc/78/81/50/392788150.db2.gz MXGLZIKBRSHCOQ-HOTGVXAUSA-N 1 1 292.810 3.337 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC=C(c3ccco3)C2)cc1 ZINC000375690413 392805437 /nfs/dbraw/zinc/80/54/37/392805437.db2.gz UKEVFURMZOFMJR-UHFFFAOYSA-N 1 1 264.328 3.441 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CCC1(F)F ZINC000335673571 392805619 /nfs/dbraw/zinc/80/56/19/392805619.db2.gz VRUDSJSGIFFASQ-LBPRGKRZSA-N 1 1 264.319 3.230 20 30 CGEDMO C[C@]1(c2ccc(F)cc2)CC[N@H+](CC2(C#N)CC2)C1 ZINC000335756251 392814570 /nfs/dbraw/zinc/81/45/70/392814570.db2.gz QYDIAXWNKLLKPR-HNNXBMFYSA-N 1 1 258.340 3.093 20 30 CGEDMO C[C@]1(c2ccc(F)cc2)CC[N@@H+](CC2(C#N)CC2)C1 ZINC000335756251 392814575 /nfs/dbraw/zinc/81/45/75/392814575.db2.gz QYDIAXWNKLLKPR-HNNXBMFYSA-N 1 1 258.340 3.093 20 30 CGEDMO C=CC[N@@H+](Cc1cc(C#N)n(C)c1)Cc1cccs1 ZINC000191187057 392825201 /nfs/dbraw/zinc/82/52/01/392825201.db2.gz JIOGLVBXKFALPT-UHFFFAOYSA-N 1 1 271.389 3.146 20 30 CGEDMO C=CC[N@H+](Cc1cc(C#N)n(C)c1)Cc1cccs1 ZINC000191187057 392825207 /nfs/dbraw/zinc/82/52/07/392825207.db2.gz JIOGLVBXKFALPT-UHFFFAOYSA-N 1 1 271.389 3.146 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@]1(CO)CC(C)C ZINC000191647296 392832543 /nfs/dbraw/zinc/83/25/43/392832543.db2.gz XHZXLVWVCFUTMQ-GOSISDBHSA-N 1 1 286.419 3.240 20 30 CGEDMO C[C@@H](C#N)C[N@H+](CCc1ccc(F)c(F)c1)C1CC1 ZINC000338348463 392910723 /nfs/dbraw/zinc/91/07/23/392910723.db2.gz KVUOVCNDQXOIIP-NSHDSACASA-N 1 1 264.319 3.131 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](CCc1ccc(F)c(F)c1)C1CC1 ZINC000338348463 392910727 /nfs/dbraw/zinc/91/07/27/392910727.db2.gz KVUOVCNDQXOIIP-NSHDSACASA-N 1 1 264.319 3.131 20 30 CGEDMO CC1=C[C@@H](C)C[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000336519084 392861202 /nfs/dbraw/zinc/86/12/02/392861202.db2.gz NZMVHUUZRRHYAZ-IAQYHMDHSA-N 1 1 269.348 3.033 20 30 CGEDMO CC1=C[C@@H](C)C[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000336519084 392861206 /nfs/dbraw/zinc/86/12/06/392861206.db2.gz NZMVHUUZRRHYAZ-IAQYHMDHSA-N 1 1 269.348 3.033 20 30 CGEDMO C=CC[N@H+](Cc1cncnc1OC)CC1CCCCC1 ZINC000648008451 392867464 /nfs/dbraw/zinc/86/74/64/392867464.db2.gz JGKKCMUWDHTWOB-UHFFFAOYSA-N 1 1 275.396 3.054 20 30 CGEDMO C[N@@H+](CCOCCC#N)CC12CC3CC(CC(C3)C1)C2 ZINC000338881049 392933588 /nfs/dbraw/zinc/93/35/88/392933588.db2.gz DZZIYWNVGZWWKL-UHFFFAOYSA-N 1 1 276.424 3.065 20 30 CGEDMO CCOc1ccc([C@H]2CCC[N@H+]2CCOCCC#N)cc1 ZINC000338885151 392933990 /nfs/dbraw/zinc/93/39/90/392933990.db2.gz XLUUFFPDCOYMSY-QGZVFWFLSA-N 1 1 288.391 3.152 20 30 CGEDMO C=CCCC1(C(=O)Nc2ccc3nc(N(C)C)[nH]c3c2)CC1 ZINC000338926402 392936611 /nfs/dbraw/zinc/93/66/11/392936611.db2.gz OJALEVABYCAHJN-UHFFFAOYSA-N 1 1 298.390 3.314 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(C)cc1-c1ccnn1C ZINC000338935032 392936654 /nfs/dbraw/zinc/93/66/54/392936654.db2.gz HCTKVCPLVZEYCP-UHFFFAOYSA-N 1 1 269.392 3.403 20 30 CGEDMO CC(C)C[C@H]1CCC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459318806 392939461 /nfs/dbraw/zinc/93/94/61/392939461.db2.gz CKYMTKSKGMBONB-CQSZACIVSA-N 1 1 287.363 3.477 20 30 CGEDMO C=CCOCC[N@@H+]1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000339002909 392939881 /nfs/dbraw/zinc/93/98/81/392939881.db2.gz JTEWQESTZLKAQO-HOTGVXAUSA-N 1 1 259.393 3.375 20 30 CGEDMO C[C@H]1CC[N@@H+](CCOCCC#N)[C@H]1c1cccc(F)c1 ZINC000339011198 392941925 /nfs/dbraw/zinc/94/19/25/392941925.db2.gz QOVIASJPPPSTOP-XJKSGUPXSA-N 1 1 276.355 3.139 20 30 CGEDMO C=CCOCC[N@@H+]1[C@H](C)c2ccc(F)cc2C[C@@H]1C ZINC000339061459 392942714 /nfs/dbraw/zinc/94/27/14/392942714.db2.gz KSLQFMJPUSZWQO-QWHCGFSZSA-N 1 1 263.356 3.336 20 30 CGEDMO C[C@H]1CC[N@@H+](CCOCCC#N)CC12CCCCC2 ZINC000339094529 392947698 /nfs/dbraw/zinc/94/76/98/392947698.db2.gz NCCKNGAUGKBBPG-HNNXBMFYSA-N 1 1 264.413 3.209 20 30 CGEDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000194942330 392946850 /nfs/dbraw/zinc/94/68/50/392946850.db2.gz HSFQDXUFDZCQLN-KRWDZBQOSA-N 1 1 290.382 3.478 20 30 CGEDMO C[N@@H+](CC[C@H]1CCCO1)CCC1(C#N)CCCCC1 ZINC000411625953 392981644 /nfs/dbraw/zinc/98/16/44/392981644.db2.gz VMSGXBFFOMNKRF-OAHLLOKOSA-N 1 1 264.413 3.351 20 30 CGEDMO CO[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)CC[C@H]1C ZINC000411613988 392981670 /nfs/dbraw/zinc/98/16/70/392981670.db2.gz QMPMEPQYXNXOCK-HUUCEWRRSA-N 1 1 264.413 3.207 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000411686239 392983389 /nfs/dbraw/zinc/98/33/89/392983389.db2.gz XCRQULHVXQFATP-CJNGLKHVSA-N 1 1 260.356 3.481 20 30 CGEDMO C[C@H](CCC#N)[N@@H+]1CCc2ccc(Br)cc2C1 ZINC000411706127 392986657 /nfs/dbraw/zinc/98/66/57/392986657.db2.gz XKOOPBWROIXPJG-LLVKDONJSA-N 1 1 293.208 3.499 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCc2ccc(Br)cc2C1 ZINC000411706127 392986658 /nfs/dbraw/zinc/98/66/58/392986658.db2.gz XKOOPBWROIXPJG-LLVKDONJSA-N 1 1 293.208 3.499 20 30 CGEDMO CO[C@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C[C@H]1C ZINC000411786102 392988202 /nfs/dbraw/zinc/98/82/02/392988202.db2.gz CWYMXZNBZGEEQT-CABCVRRESA-N 1 1 264.413 3.207 20 30 CGEDMO CC#CC[N@@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000411773121 392988996 /nfs/dbraw/zinc/98/89/96/392988996.db2.gz SEOXXVDIPNDOOJ-UHFFFAOYSA-N 1 1 299.201 3.277 20 30 CGEDMO N#CCc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)cc1 ZINC000411921153 392990760 /nfs/dbraw/zinc/99/07/60/392990760.db2.gz HFVDADQRNWOCGL-OALUTQOASA-N 1 1 292.382 3.061 20 30 CGEDMO CC(C)(C)OC(=O)CC[C@H]1CCC[N@@H+](CC2(C#N)CC2)C1 ZINC000412061400 392994437 /nfs/dbraw/zinc/99/44/37/392994437.db2.gz HNDNAUUNEHXMBD-CQSZACIVSA-N 1 1 292.423 3.124 20 30 CGEDMO C=CCCCC(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000412701554 393007590 /nfs/dbraw/zinc/00/75/90/393007590.db2.gz UGZAUHMRDJLFTO-INIZCTEOSA-N 1 1 286.419 3.076 20 30 CGEDMO C=CCCCC(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000412701554 393007595 /nfs/dbraw/zinc/00/75/95/393007595.db2.gz UGZAUHMRDJLFTO-INIZCTEOSA-N 1 1 286.419 3.076 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@]23CCOC3)cc1 ZINC000342839580 393010679 /nfs/dbraw/zinc/01/06/79/393010679.db2.gz IPKJTRHCRHZGNI-QGZVFWFLSA-N 1 1 273.376 3.006 20 30 CGEDMO CC[C@H](C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1)OC ZINC000412977885 393013533 /nfs/dbraw/zinc/01/35/33/393013533.db2.gz NZWGDHCDLSUMCM-IXDOHACOSA-N 1 1 272.392 3.183 20 30 CGEDMO COc1cccc2c(N3CCC(F)(C#N)CC3)cc(C)[nH+]c12 ZINC000343224251 393022559 /nfs/dbraw/zinc/02/25/59/393022559.db2.gz LEKZKWUDEDQWPA-UHFFFAOYSA-N 1 1 299.349 3.384 20 30 CGEDMO COc1ccccc1/C=C/C[NH+]1CCC(F)(C#N)CC1 ZINC000348718236 393129127 /nfs/dbraw/zinc/12/91/27/393129127.db2.gz WRWDKEGXFYRAHQ-GQCTYLIASA-N 1 1 274.339 3.036 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000348950347 393135957 /nfs/dbraw/zinc/13/59/57/393135957.db2.gz PMELJGMBJDWLGC-HNNXBMFYSA-N 1 1 264.413 3.207 20 30 CGEDMO C[N@@H+](CCOc1ccccc1C#N)[C@H]1CCC(C)(C)C1 ZINC000468391019 393138816 /nfs/dbraw/zinc/13/88/16/393138816.db2.gz AZUWGNBXIFSWIL-HNNXBMFYSA-N 1 1 272.392 3.448 20 30 CGEDMO CN(C(=O)CC[N@@H+](C)C1CCCCC1)c1cccc(C#N)c1 ZINC000547733606 393141415 /nfs/dbraw/zinc/14/14/15/393141415.db2.gz JZNXJNMWBFVEHQ-UHFFFAOYSA-N 1 1 299.418 3.176 20 30 CGEDMO CC(C)OCCC[N@@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000264028496 393154796 /nfs/dbraw/zinc/15/47/96/393154796.db2.gz LVFSBMVGZXDQBD-CQSZACIVSA-N 1 1 260.381 3.366 20 30 CGEDMO CCC[N@@H+](CC)CCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271932744 393258030 /nfs/dbraw/zinc/25/80/30/393258030.db2.gz IZFQSLSAZIPSJV-CYBMUJFWSA-N 1 1 277.387 3.080 20 30 CGEDMO CCCN(CC)CC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000271932744 393258036 /nfs/dbraw/zinc/25/80/36/393258036.db2.gz IZFQSLSAZIPSJV-CYBMUJFWSA-N 1 1 277.387 3.080 20 30 CGEDMO C[C@H](NCC[N@@H+]1CCC[C@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000271906975 393255088 /nfs/dbraw/zinc/25/50/88/393255088.db2.gz CLSVGNJBJFAFOH-KBPBESRZSA-N 1 1 289.398 3.080 20 30 CGEDMO C[C@H](NCC[N@H+]1CCC[C@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000271906975 393255090 /nfs/dbraw/zinc/25/50/90/393255090.db2.gz CLSVGNJBJFAFOH-KBPBESRZSA-N 1 1 289.398 3.080 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@](C)(OC)C2)cc1 ZINC000355212872 393262876 /nfs/dbraw/zinc/26/28/76/393262876.db2.gz DYDDSAITWWKEKT-KRWDZBQOSA-N 1 1 275.392 3.252 20 30 CGEDMO C[N@H+](CCC1CCCCC1)Cc1nc(C#N)cs1 ZINC000356195895 393378325 /nfs/dbraw/zinc/37/83/25/393378325.db2.gz QYNVPCWSOMIXOW-UHFFFAOYSA-N 1 1 263.410 3.417 20 30 CGEDMO C[N@@H+](CCC1CCCCC1)Cc1nc(C#N)cs1 ZINC000356195895 393378331 /nfs/dbraw/zinc/37/83/31/393378331.db2.gz QYNVPCWSOMIXOW-UHFFFAOYSA-N 1 1 263.410 3.417 20 30 CGEDMO C[C@H]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2C#N)C1 ZINC000429568675 393484904 /nfs/dbraw/zinc/48/49/04/393484904.db2.gz OVEXUNDZUHXOER-DZGCQCFKSA-N 1 1 285.391 3.007 20 30 CGEDMO C=CC[C@@H]1[N@@H+](CCc2cncc(C)n2)CCCC1(C)C ZINC000649594108 393506250 /nfs/dbraw/zinc/50/62/50/393506250.db2.gz OPLGKHYFSNJVGL-INIZCTEOSA-N 1 1 273.424 3.394 20 30 CGEDMO COc1cc([C@@H](C)[NH2+]CCC#N)ccc1OC(C)C ZINC000359079459 393534746 /nfs/dbraw/zinc/53/47/46/393534746.db2.gz WQXHUNZZBNKLPX-GFCCVEGCSA-N 1 1 262.353 3.047 20 30 CGEDMO CC(C)(C)C[C@H]1CCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000488709863 393547409 /nfs/dbraw/zinc/54/74/09/393547409.db2.gz RRAQNMRZNMHXRS-MRXNPFEDSA-N 1 1 299.418 3.397 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](CC)C[C@@H](C)OC)cc1 ZINC000361019512 393644302 /nfs/dbraw/zinc/64/43/02/393644302.db2.gz ZYADIBJULJSMOV-CQSZACIVSA-N 1 1 263.381 3.108 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1Cc2ccccc2[C@H]1C ZINC000361058769 393660620 /nfs/dbraw/zinc/66/06/20/393660620.db2.gz QNVLXRQNERHGCL-CABCVRRESA-N 1 1 284.403 3.152 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1Cc2ccccc2[C@H]1C ZINC000361058769 393660622 /nfs/dbraw/zinc/66/06/22/393660622.db2.gz QNVLXRQNERHGCL-CABCVRRESA-N 1 1 284.403 3.152 20 30 CGEDMO C[C@H]1CC2(CCC2)C[N@H+]1Cc1ccc(C#N)cc1F ZINC000433022908 393670818 /nfs/dbraw/zinc/67/08/18/393670818.db2.gz MLTIEOOJMBNNGX-LBPRGKRZSA-N 1 1 258.340 3.462 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cccc(C(=O)OC)c1 ZINC000361107906 393673876 /nfs/dbraw/zinc/67/38/76/393673876.db2.gz BCPNGNWWDOGDBX-HNNXBMFYSA-N 1 1 259.349 3.014 20 30 CGEDMO COc1cc(C[N@@H+](C)C2(C)CCCC2)ccc1C#N ZINC000443072083 393743070 /nfs/dbraw/zinc/74/30/70/393743070.db2.gz UWTOYMVEHIZMAS-UHFFFAOYSA-N 1 1 258.365 3.331 20 30 CGEDMO CO[C@H](C[N@H+](Cc1ccc(C#N)cc1)CC(C)C)C1CC1 ZINC000425402092 393694112 /nfs/dbraw/zinc/69/41/12/393694112.db2.gz QXSWIPVVFJJOBZ-GOSISDBHSA-N 1 1 286.419 3.441 20 30 CGEDMO C[C@@H]1CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000425510167 393696727 /nfs/dbraw/zinc/69/67/27/393696727.db2.gz AQRNPXRKIWQUDR-VXGBXAGGSA-N 1 1 273.336 3.087 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000425510167 393696730 /nfs/dbraw/zinc/69/67/30/393696730.db2.gz AQRNPXRKIWQUDR-VXGBXAGGSA-N 1 1 273.336 3.087 20 30 CGEDMO CC[N@H+](CCC#N)CCc1ccc(C(F)(F)F)cc1 ZINC000425534654 393697656 /nfs/dbraw/zinc/69/76/56/393697656.db2.gz GKZXYBQKPBFCBF-UHFFFAOYSA-N 1 1 270.298 3.483 20 30 CGEDMO CC[N@@H+](CCC#N)CCc1ccc(C(F)(F)F)cc1 ZINC000425534654 393697661 /nfs/dbraw/zinc/69/76/61/393697661.db2.gz GKZXYBQKPBFCBF-UHFFFAOYSA-N 1 1 270.298 3.483 20 30 CGEDMO Cc1cc(CN[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)ccc1C#N ZINC000443970251 393779227 /nfs/dbraw/zinc/77/92/27/393779227.db2.gz RDJOYGCILWUVDC-GDBMZVCRSA-N 1 1 285.435 3.077 20 30 CGEDMO Cc1cc(CN[C@H](C)C[N@H+]2CCC[C@@H](C)C2)ccc1C#N ZINC000443970251 393779229 /nfs/dbraw/zinc/77/92/29/393779229.db2.gz RDJOYGCILWUVDC-GDBMZVCRSA-N 1 1 285.435 3.077 20 30 CGEDMO Cc1cc(CNC[C@@H]2CCC[N@@H+](CC(C)C)C2)ccc1C#N ZINC000443988110 393780501 /nfs/dbraw/zinc/78/05/01/393780501.db2.gz KSPXBPRCFVMDBT-SFHVURJKSA-N 1 1 299.462 3.324 20 30 CGEDMO Cc1cc(CNC[C@@H]2CCC[N@H+](CC(C)C)C2)ccc1C#N ZINC000443988110 393780503 /nfs/dbraw/zinc/78/05/03/393780503.db2.gz KSPXBPRCFVMDBT-SFHVURJKSA-N 1 1 299.462 3.324 20 30 CGEDMO CC(C)C[C@@H](C)[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000445452649 393795194 /nfs/dbraw/zinc/79/51/94/393795194.db2.gz FLWIBGSMIHLCBA-RHSMWYFYSA-N 1 1 272.392 3.366 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)c(F)c1 ZINC000449535407 393887235 /nfs/dbraw/zinc/88/72/35/393887235.db2.gz HQPUMIFZNLGLHI-RDJZCZTQSA-N 1 1 270.351 3.318 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)s1 ZINC000449537747 393888735 /nfs/dbraw/zinc/88/87/35/393888735.db2.gz JWERVWPLLPUZKP-HUUCEWRRSA-N 1 1 258.390 3.240 20 30 CGEDMO CC[C@@H]([NH2+]CC1(C#N)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000450682724 394033621 /nfs/dbraw/zinc/03/36/21/394033621.db2.gz ONQYCYXPVTUIAD-CQSZACIVSA-N 1 1 273.336 3.329 20 30 CGEDMO CCn1ccnc1[C@@H](C)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000453373138 394226331 /nfs/dbraw/zinc/22/63/31/394226331.db2.gz WSYKGTFJJLACGU-MLGOLLRUSA-N 1 1 280.375 3.113 20 30 CGEDMO Cc1cc(C#N)cc(NC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000456959711 394301487 /nfs/dbraw/zinc/30/14/87/394301487.db2.gz GMNMJNXSQJJXPO-HZSPNIEDSA-N 1 1 285.391 3.067 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1cn(C2CCC2)nn1 ZINC000667557512 542889460 /nfs/dbraw/zinc/88/94/60/542889460.db2.gz XVFRAOVCBLEBJY-UHFFFAOYSA-N 1 1 296.418 3.234 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)Cc1cn(C2CCC2)nn1 ZINC000667557512 542889462 /nfs/dbraw/zinc/88/94/62/542889462.db2.gz XVFRAOVCBLEBJY-UHFFFAOYSA-N 1 1 296.418 3.234 20 30 CGEDMO C[C@H]1C[C@H](C)[NH+]1Cc1ccc(C#N)cc1OC(F)F ZINC000548753492 289020676 /nfs/dbraw/zinc/02/06/76/289020676.db2.gz BUEQKTZHXASILR-UWVGGRQHSA-N 1 1 266.291 3.142 20 30 CGEDMO COCC#CC[N@@H+](Cc1ccccc1Cl)CC1CC1 ZINC000671706200 543178376 /nfs/dbraw/zinc/17/83/76/543178376.db2.gz ORISGIKZMKAKHZ-UHFFFAOYSA-N 1 1 277.795 3.202 20 30 CGEDMO COCC#CC[N@H+](Cc1ccccc1Cl)CC1CC1 ZINC000671706200 543178378 /nfs/dbraw/zinc/17/83/78/543178378.db2.gz ORISGIKZMKAKHZ-UHFFFAOYSA-N 1 1 277.795 3.202 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1cc(-c2ccccc2)no1 ZINC000286301201 397671582 /nfs/dbraw/zinc/67/15/82/397671582.db2.gz VQFHWZUUEYRXOH-UHFFFAOYSA-N 1 1 254.333 3.185 20 30 CGEDMO CCC#C[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000677047993 543427660 /nfs/dbraw/zinc/42/76/60/543427660.db2.gz MWSHNSJMLFJQAO-UXLLHSPISA-N 1 1 257.377 3.250 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000677047993 543427662 /nfs/dbraw/zinc/42/76/62/543427662.db2.gz MWSHNSJMLFJQAO-UXLLHSPISA-N 1 1 257.377 3.250 20 30 CGEDMO COCC#CC[N@H+](Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000677132877 543435587 /nfs/dbraw/zinc/43/55/87/543435587.db2.gz XGZSEFCNYYXFLC-BBRMVZONSA-N 1 1 273.376 3.017 20 30 CGEDMO COCC#CC[N@@H+](Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000677132877 543435590 /nfs/dbraw/zinc/43/55/90/543435590.db2.gz XGZSEFCNYYXFLC-BBRMVZONSA-N 1 1 273.376 3.017 20 30 CGEDMO COCC#CC[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000677133484 543435745 /nfs/dbraw/zinc/43/57/45/543435745.db2.gz YGEPLKWKXGTPIN-OAHLLOKOSA-N 1 1 263.768 3.127 20 30 CGEDMO COCC#CC[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000677133484 543435747 /nfs/dbraw/zinc/43/57/47/543435747.db2.gz YGEPLKWKXGTPIN-OAHLLOKOSA-N 1 1 263.768 3.127 20 30 CGEDMO COCC#CC[N@@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000677818796 543468014 /nfs/dbraw/zinc/46/80/14/543468014.db2.gz IRSIZLBLJNZNGO-SFHVURJKSA-N 1 1 269.388 3.178 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+](CC)C[C@@H]1CCOC1 ZINC000678151420 543488782 /nfs/dbraw/zinc/48/87/82/543488782.db2.gz LIXXDKQRLBZQKA-HNNXBMFYSA-N 1 1 275.392 3.110 20 30 CGEDMO COCC#CC[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC000678736282 543551694 /nfs/dbraw/zinc/55/16/94/543551694.db2.gz IFCCGAJXLDOGJM-SNVBAGLBSA-N 1 1 272.175 3.294 20 30 CGEDMO CC[C@H]1CCCC[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000087833134 165189171 /nfs/dbraw/zinc/18/91/71/165189171.db2.gz SZPGZUDSOGSHTI-HNNXBMFYSA-N 1 1 258.365 3.331 20 30 CGEDMO CC[C@H]1CCC[N@@H+](Cc2ccc(OC)c(C#N)c2)C1 ZINC000087833178 165191062 /nfs/dbraw/zinc/19/10/62/165191062.db2.gz YUGKUIUZYPRBHB-ZDUSSCGKSA-N 1 1 258.365 3.189 20 30 CGEDMO COc1ccc2c(c1)C[N@@H+](Cc1cc(C#N)cs1)CC2 ZINC000092507747 165299872 /nfs/dbraw/zinc/29/98/72/165299872.db2.gz JXKBCSIXIYICFN-UHFFFAOYSA-N 1 1 284.384 3.187 20 30 CGEDMO COc1ccc2c(c1)C[N@H+](Cc1cc(C#N)cs1)CC2 ZINC000092507747 165299873 /nfs/dbraw/zinc/29/98/73/165299873.db2.gz JXKBCSIXIYICFN-UHFFFAOYSA-N 1 1 284.384 3.187 20 30 CGEDMO C[C@H]1C[C@@H](Nc2cc(Cl)ccc2C#N)C[N@H+]1C1CC1 ZINC000122819096 287212982 /nfs/dbraw/zinc/21/29/82/287212982.db2.gz XNLFPOGSJHELQD-GXFFZTMASA-N 1 1 275.783 3.249 20 30 CGEDMO CN(CCC[NH2+]Cc1ccc(C#N)cc1)Cc1ccccc1 ZINC000020827452 171274307 /nfs/dbraw/zinc/27/43/07/171274307.db2.gz QKHPULCIWZPMHX-UHFFFAOYSA-N 1 1 293.414 3.170 20 30 CGEDMO C[N@H+](CCCNCc1ccc(C#N)cc1)Cc1ccccc1 ZINC000020827452 171274308 /nfs/dbraw/zinc/27/43/08/171274308.db2.gz QKHPULCIWZPMHX-UHFFFAOYSA-N 1 1 293.414 3.170 20 30 CGEDMO C[N@@H+](CCCNCc1ccc(C#N)cc1)Cc1ccccc1 ZINC000020827452 171274310 /nfs/dbraw/zinc/27/43/10/171274310.db2.gz QKHPULCIWZPMHX-UHFFFAOYSA-N 1 1 293.414 3.170 20 30 CGEDMO CC(C)C[C@@H](CN[C@@H](C)c1cccc(C#N)c1)[NH+](C)C ZINC000037240972 173056994 /nfs/dbraw/zinc/05/69/94/173056994.db2.gz OFMRJSOXUVKTDU-YOEHRIQHSA-N 1 1 273.424 3.185 20 30 CGEDMO C[C@H]1C[C@H](C)[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000127303378 287285066 /nfs/dbraw/zinc/28/50/66/287285066.db2.gz DWCPFBFUUHNODN-KBPBESRZSA-N 1 1 258.365 3.057 20 30 CGEDMO C[C@H](NCC[N@@H+](C)C1CCCC1)c1cccc(C#N)c1 ZINC000071377033 176142042 /nfs/dbraw/zinc/14/20/42/176142042.db2.gz DOSQQNWRBJTBJO-AWEZNQCLSA-N 1 1 271.408 3.083 20 30 CGEDMO C[C@H]([NH2+]CCN(C)C1CCCC1)c1cccc(C#N)c1 ZINC000071377033 176142043 /nfs/dbraw/zinc/14/20/43/176142043.db2.gz DOSQQNWRBJTBJO-AWEZNQCLSA-N 1 1 271.408 3.083 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000342734307 416541182 /nfs/dbraw/zinc/54/11/82/416541182.db2.gz JPYFFTDBAXNMIM-STQMWFEESA-N 1 1 294.826 3.414 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)cc1OC ZINC000679359790 543629195 /nfs/dbraw/zinc/62/91/95/543629195.db2.gz ONRCKWOCZLIBMP-HIFRSBDPSA-N 1 1 293.382 3.440 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)cc1OC ZINC000679359790 543629198 /nfs/dbraw/zinc/62/91/98/543629198.db2.gz ONRCKWOCZLIBMP-HIFRSBDPSA-N 1 1 293.382 3.440 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc2c(c(Cl)c1)OCO2 ZINC000680854523 543739681 /nfs/dbraw/zinc/73/96/81/543739681.db2.gz ZZLQULAUMIYMNJ-UHFFFAOYSA-N 1 1 267.756 3.467 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@]2(C1)c1ccccc1NC2=O ZINC000681698271 543803197 /nfs/dbraw/zinc/80/31/97/543803197.db2.gz COGYMYKMYBQJOH-KBXCAEBGSA-N 1 1 284.403 3.327 20 30 CGEDMO N#CCC1CCN(c2cc[nH+]c3ccsc32)CC1 ZINC000334912044 225362723 /nfs/dbraw/zinc/36/27/23/225362723.db2.gz OMSKFEVSQMPXGO-UHFFFAOYSA-N 1 1 257.362 3.426 20 30 CGEDMO CCn1ccc(C[N@@H+](C)CC#Cc2ccc(F)cc2)c1 ZINC000683030050 543891503 /nfs/dbraw/zinc/89/15/03/543891503.db2.gz WQNARNDOSXUMSM-UHFFFAOYSA-N 1 1 270.351 3.131 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CC[C@H](c2ccc(C)cc2C)C1 ZINC000684211715 543973441 /nfs/dbraw/zinc/97/34/41/543973441.db2.gz UMNABGLQJCPMEI-DOTOQJQBSA-N 1 1 259.393 3.030 20 30 CGEDMO C=CCC1(c2nc(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)no2)CCC1 ZINC000685325833 544063119 /nfs/dbraw/zinc/06/31/19/544063119.db2.gz JICZPNXYIXOQPH-AGUYFDCRSA-N 1 1 287.407 3.408 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)C[C@@H](O)C2CC2)cc1Cl ZINC000685460664 544074506 /nfs/dbraw/zinc/07/45/06/544074506.db2.gz CNTBVTWSKPGZJL-OAHLLOKOSA-N 1 1 295.810 3.108 20 30 CGEDMO C[C@H](C#N)C[N@H+](C)CC[C@H](C)OCc1ccccc1 ZINC000354862824 227180854 /nfs/dbraw/zinc/18/08/54/227180854.db2.gz ITFDRVSEVALACV-CABCVRRESA-N 1 1 260.381 3.073 20 30 CGEDMO C=CCCCC[N@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000664881322 419020143 /nfs/dbraw/zinc/02/01/43/419020143.db2.gz XCTSIWBYIIEDMA-UHFFFAOYSA-N 1 1 261.413 3.161 20 30 CGEDMO C=CC[N@H+](Cc1cc(OC)no1)CC1CCCCC1 ZINC000659918933 419033455 /nfs/dbraw/zinc/03/34/55/419033455.db2.gz CEINNTDAGMWOIV-UHFFFAOYSA-N 1 1 264.369 3.252 20 30 CGEDMO C=CCCn1cc(C[N@@H+](C)[C@H]2CCCc3ccccc32)nn1 ZINC000653479939 419034238 /nfs/dbraw/zinc/03/42/38/419034238.db2.gz JUEXWXKNKDWDBG-SFHVURJKSA-N 1 1 296.418 3.364 20 30 CGEDMO C=CCCn1cc(C[N@H+](C)[C@H]2CCCc3ccccc32)nn1 ZINC000653479939 419034241 /nfs/dbraw/zinc/03/42/41/419034241.db2.gz JUEXWXKNKDWDBG-SFHVURJKSA-N 1 1 296.418 3.364 20 30 CGEDMO C=CCCCCC[N@@H+](C)[C@@H](C)c1nnc(CC)[nH]1 ZINC000659947011 419041749 /nfs/dbraw/zinc/04/17/49/419041749.db2.gz LGPYCICEFOYIJM-LBPRGKRZSA-N 1 1 250.390 3.106 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H](C)c1nnc(CC)[nH]1 ZINC000659947011 419041751 /nfs/dbraw/zinc/04/17/51/419041751.db2.gz LGPYCICEFOYIJM-LBPRGKRZSA-N 1 1 250.390 3.106 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC[C@H]1Sc2ccccc2NC1=O ZINC000659829041 419004781 /nfs/dbraw/zinc/00/47/81/419004781.db2.gz KOCWSRGDJQOTOB-OAHLLOKOSA-N 1 1 290.432 3.388 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CCC[C@@H]2[C@H](C)CCC)nn1 ZINC000653570897 419051781 /nfs/dbraw/zinc/05/17/81/419051781.db2.gz JAXMKJTTZJNAKH-GDBMZVCRSA-N 1 1 276.428 3.255 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@H](C)c2ccc(Cl)cc2)nn1 ZINC000653572299 419053946 /nfs/dbraw/zinc/05/39/46/419053946.db2.gz WYQYBNWRJAKYNN-GFCCVEGCSA-N 1 1 290.798 3.358 20 30 CGEDMO C=CCCn1cc(C[N@H+](CC)[C@H]2CCCC[C@H]2C)nn1 ZINC000653632598 419061883 /nfs/dbraw/zinc/06/18/83/419061883.db2.gz ZYRSSMMHZDJIJA-ZBFHGGJFSA-N 1 1 276.428 3.255 20 30 CGEDMO C=CCC1(NC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CCCC1 ZINC000665552016 419137393 /nfs/dbraw/zinc/13/73/93/419137393.db2.gz TYMWUAFVDDQKAB-CQSZACIVSA-N 1 1 293.455 3.047 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2nc(CCCC)no2)C1 ZINC000661376637 419254535 /nfs/dbraw/zinc/25/45/35/419254535.db2.gz FMBVBWWTNPKSCG-CYBMUJFWSA-N 1 1 263.385 3.200 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2nc(CCCC)no2)C1 ZINC000661376637 419254536 /nfs/dbraw/zinc/25/45/36/419254536.db2.gz FMBVBWWTNPKSCG-CYBMUJFWSA-N 1 1 263.385 3.200 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(F)cc2F)C1 ZINC000661379479 419255234 /nfs/dbraw/zinc/25/52/34/419255234.db2.gz CMGWCMGKFVDJCN-GFCCVEGCSA-N 1 1 294.345 3.191 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(F)cc2F)C1 ZINC000661379479 419255235 /nfs/dbraw/zinc/25/52/35/419255235.db2.gz CMGWCMGKFVDJCN-GFCCVEGCSA-N 1 1 294.345 3.191 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](C(=O)N(C)C)c2ccccc2)C1 ZINC000661378196 419255681 /nfs/dbraw/zinc/25/56/81/419255681.db2.gz ADOOTZQLTADSSP-NVXWUHKLSA-N 1 1 286.419 3.104 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2nc(Cc3ccccc3)no2)C1 ZINC000661378669 419256057 /nfs/dbraw/zinc/25/60/57/419256057.db2.gz JZWWPIKOYBPAHH-INIZCTEOSA-N 1 1 297.402 3.449 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2nc(Cc3ccccc3)no2)C1 ZINC000661378669 419256059 /nfs/dbraw/zinc/25/60/59/419256059.db2.gz JZWWPIKOYBPAHH-INIZCTEOSA-N 1 1 297.402 3.449 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](C[C@H](O)Cc2ccc(F)cc2)C1 ZINC000661383756 419256105 /nfs/dbraw/zinc/25/61/05/419256105.db2.gz FCRNHCUCYPFEEG-NVXWUHKLSA-N 1 1 277.383 3.017 20 30 CGEDMO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(C2CC2)n1 ZINC000661115555 419231663 /nfs/dbraw/zinc/23/16/63/419231663.db2.gz DIBKVJKOBOTZPX-DGCLKSJQSA-N 1 1 261.369 3.172 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](CCC(=O)c2ccc(F)cc2)C1 ZINC000661154136 419235051 /nfs/dbraw/zinc/23/50/51/419235051.db2.gz OFBOOUMAVIQAND-ZDUSSCGKSA-N 1 1 274.339 3.024 20 30 CGEDMO C=CCCn1cc(C[N@H+]2CCCC3(CCCC3)CC2)nn1 ZINC000661230459 419241861 /nfs/dbraw/zinc/24/18/61/419241861.db2.gz ARZPKPGPYGTCJK-UHFFFAOYSA-N 1 1 288.439 3.401 20 30 CGEDMO C=CCCn1cc(C[N@H+]2CC[C@@H](C3CCCCC3)C2)nn1 ZINC000661577443 419274950 /nfs/dbraw/zinc/27/49/50/419274950.db2.gz AXOXRGSLTFYQMR-MRXNPFEDSA-N 1 1 288.439 3.256 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000661664596 419284243 /nfs/dbraw/zinc/28/42/43/419284243.db2.gz JOPOPULSPLXHEP-DLBZAZTESA-N 1 1 259.393 3.051 20 30 CGEDMO C=CC[N@H+](CC(=O)NCc1ccc(C)c(F)c1)C(C)(C)C ZINC000661755711 419294733 /nfs/dbraw/zinc/29/47/33/419294733.db2.gz PJUCDKANJVCMCL-UHFFFAOYSA-N 1 1 292.398 3.037 20 30 CGEDMO C=CC[N@H+](Cc1cc(-c2cnn(C)c2C)no1)C(C)(C)C ZINC000661760761 419295907 /nfs/dbraw/zinc/29/59/07/419295907.db2.gz ZRDJBBAWPAESEU-UHFFFAOYSA-N 1 1 288.395 3.170 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)NC1CCC(C)CC1 ZINC000662081320 419333947 /nfs/dbraw/zinc/33/39/47/419333947.db2.gz VPCNLONMBVRFJB-IEMTVISKSA-N 1 1 290.451 3.253 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc2ccccc2c(=O)[nH]1 ZINC000662086789 419334375 /nfs/dbraw/zinc/33/43/75/419334375.db2.gz YLHQYSFNJUSCDI-BETUJISGSA-N 1 1 281.359 3.018 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc2ccccc2c(=O)[nH]1 ZINC000662086789 419334376 /nfs/dbraw/zinc/33/43/76/419334376.db2.gz YLHQYSFNJUSCDI-BETUJISGSA-N 1 1 281.359 3.018 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)[C@@H](C)C(=O)NC(C)(C)CC ZINC000298756939 260161805 /nfs/dbraw/zinc/16/18/05/260161805.db2.gz CMXCVTJZCVWUOU-AWEZNQCLSA-N 1 1 292.423 3.003 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)[C@@H](C)C(=O)NC(C)(C)CC ZINC000298756939 260161806 /nfs/dbraw/zinc/16/18/06/260161806.db2.gz CMXCVTJZCVWUOU-AWEZNQCLSA-N 1 1 292.423 3.003 20 30 CGEDMO C=C[C@H](C)[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1 ZINC000449184629 260284343 /nfs/dbraw/zinc/28/43/43/260284343.db2.gz FPAVAJUXEGHBAU-HOTGVXAUSA-N 1 1 272.436 3.246 20 30 CGEDMO C=CC[C@H](CO)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000302118624 261347251 /nfs/dbraw/zinc/34/72/51/261347251.db2.gz DYTYXTZCVUDHTF-LLVKDONJSA-N 1 1 262.740 3.237 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@H+]2CCCC3(CC3)C2)cc1 ZINC000186612361 262101524 /nfs/dbraw/zinc/10/15/24/262101524.db2.gz SJZHPZBADPTNRX-UHFFFAOYSA-N 1 1 283.419 3.412 20 30 CGEDMO CC[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)C[C@@H](C)O1 ZINC000336783644 262394589 /nfs/dbraw/zinc/39/45/89/262394589.db2.gz DARXLBKUYKMENN-ZIAGYGMSSA-N 1 1 252.402 3.206 20 30 CGEDMO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1CCCSCC#N ZINC000336787754 262395201 /nfs/dbraw/zinc/39/52/01/262395201.db2.gz MWYWBCNWZYLPOZ-JTQLQIEISA-N 1 1 280.359 3.296 20 30 CGEDMO C=C(C)C[N@@H+](CC)C[C@@H](O)COc1ccc(SC)cc1 ZINC000411152674 262681141 /nfs/dbraw/zinc/68/11/41/262681141.db2.gz HHCJQADXFBFLIT-CQSZACIVSA-N 1 1 295.448 3.046 20 30 CGEDMO C[C@H](CCC#N)[N@@H+]1CCc2cccc(Br)c2C1 ZINC000411276473 262686340 /nfs/dbraw/zinc/68/63/40/262686340.db2.gz MKTVBYNDFKWTFB-LLVKDONJSA-N 1 1 293.208 3.499 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCc2cccc(Br)c2C1 ZINC000411276473 262686341 /nfs/dbraw/zinc/68/63/41/262686341.db2.gz MKTVBYNDFKWTFB-LLVKDONJSA-N 1 1 293.208 3.499 20 30 CGEDMO C[N@@H+](CCC(C)(C)C#N)[C@H]1CCc2ccccc2C1 ZINC000271999070 263001203 /nfs/dbraw/zinc/00/12/03/263001203.db2.gz GZBHUJZSQJONLR-INIZCTEOSA-N 1 1 256.393 3.416 20 30 CGEDMO N#C[C@H]1CCC[C@@H]([NH2+]Cc2c(F)cc(F)c(F)c2F)C1 ZINC000281267001 263067870 /nfs/dbraw/zinc/06/78/70/263067870.db2.gz YIXWBILVAZQKLK-DTWKUNHWSA-N 1 1 286.272 3.415 20 30 CGEDMO C=CC[N@@H+](CCC#N)C[C@H](C)c1ccc(OC)cc1 ZINC000292720318 263134255 /nfs/dbraw/zinc/13/42/55/263134255.db2.gz FFFOQHWMOWFJKX-AWEZNQCLSA-N 1 1 258.365 3.200 20 30 CGEDMO C=CC[N@H+](CCC#N)C[C@H](C)c1ccc(OC)cc1 ZINC000292720318 263134256 /nfs/dbraw/zinc/13/42/56/263134256.db2.gz FFFOQHWMOWFJKX-AWEZNQCLSA-N 1 1 258.365 3.200 20 30 CGEDMO CCC[N@@H+](Cc1ccccc1O)[C@H]1CC[C@@H](C#N)C1 ZINC000292722856 263134472 /nfs/dbraw/zinc/13/44/72/263134472.db2.gz FWGFUQMDIMRGLG-HIFRSBDPSA-N 1 1 258.365 3.296 20 30 CGEDMO CC[C@@H]1C[N@@H+](CCOCCC#N)CC[C@@H]1c1ccccc1 ZINC000292892188 263136161 /nfs/dbraw/zinc/13/61/61/263136161.db2.gz VFGIZPJXWLPLQS-AEFFLSMTSA-N 1 1 286.419 3.432 20 30 CGEDMO CC[C@H]1C[N@@H+](CCOCCC#N)CC[C@H]1c1ccccc1 ZINC000292892190 263136230 /nfs/dbraw/zinc/13/62/30/263136230.db2.gz VFGIZPJXWLPLQS-FUHWJXTLSA-N 1 1 286.419 3.432 20 30 CGEDMO N#CCCOCC[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000293592326 263143851 /nfs/dbraw/zinc/14/38/51/263143851.db2.gz UOAICRFKJOZYBT-OAHLLOKOSA-N 1 1 278.783 3.407 20 30 CGEDMO C[C@H]1Cc2[nH+]cn(Cc3ccc(OCC#N)cc3)c2C[C@@H]1C ZINC000296028734 263185052 /nfs/dbraw/zinc/18/50/52/263185052.db2.gz RUIRKLXLRNBSCD-KBPBESRZSA-N 1 1 295.386 3.205 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)[C@H]1CC[C@@H](C#N)C1 ZINC000298305321 263217306 /nfs/dbraw/zinc/21/73/06/263217306.db2.gz YHFYUPHXDAUDTC-SJORKVTESA-N 1 1 254.377 3.409 20 30 CGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)CC(C)C ZINC000340678947 263285992 /nfs/dbraw/zinc/28/59/92/263285992.db2.gz ZMHNIIWEYMISIB-AWEZNQCLSA-N 1 1 294.464 3.239 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)C[C@H](OC)C1CC1 ZINC000425397847 264276863 /nfs/dbraw/zinc/27/68/63/264276863.db2.gz MTABGIXOTWQJPN-KRWDZBQOSA-N 1 1 259.393 3.142 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c1 ZINC000129948992 264333131 /nfs/dbraw/zinc/33/31/31/264333131.db2.gz VFOIXQWCSYSZIE-INIZCTEOSA-N 1 1 287.403 3.252 20 30 CGEDMO C=CCCC[N@@H+](C)Cc1csc(N(C)C2CC2)n1 ZINC000132611819 264394474 /nfs/dbraw/zinc/39/44/74/264394474.db2.gz XORSTGMPWCVEIF-UHFFFAOYSA-N 1 1 265.426 3.140 20 30 CGEDMO C=CCCC[N@H+](C)Cc1csc(N(C)C2CC2)n1 ZINC000132611819 264394475 /nfs/dbraw/zinc/39/44/75/264394475.db2.gz XORSTGMPWCVEIF-UHFFFAOYSA-N 1 1 265.426 3.140 20 30 CGEDMO C=CCC[N@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000132614014 264397510 /nfs/dbraw/zinc/39/75/10/264397510.db2.gz ZIQPOEQRNLTJJG-AWEZNQCLSA-N 1 1 296.208 3.399 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1ccnn1C(C)C ZINC000280234833 264448562 /nfs/dbraw/zinc/44/85/62/264448562.db2.gz JSAJAFQEYGIEDX-UHFFFAOYSA-N 1 1 273.380 3.288 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2cn(C(C)C)nn2)CCCC1(C)C ZINC000289899138 264744960 /nfs/dbraw/zinc/74/49/60/264744960.db2.gz XKXNOWSDCVDFRC-OAHLLOKOSA-N 1 1 276.428 3.426 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000034674163 270027415 /nfs/dbraw/zinc/02/74/15/270027415.db2.gz FMWMJNRZHDVXCF-GASCZTMLSA-N 1 1 272.392 3.305 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000186187931 270065160 /nfs/dbraw/zinc/06/51/60/270065160.db2.gz JJBCDIPHNMZBTK-ZDUSSCGKSA-N 1 1 294.354 3.480 20 30 CGEDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1ccccc1C#N ZINC000194918841 266074122 /nfs/dbraw/zinc/07/41/22/266074122.db2.gz FVSDGRPTJZWWIM-KRWDZBQOSA-N 1 1 272.392 3.339 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000357046148 266238132 /nfs/dbraw/zinc/23/81/32/266238132.db2.gz UNWKHTPOMFVGCN-JKSUJKDBSA-N 1 1 290.451 3.088 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000367689234 267109397 /nfs/dbraw/zinc/10/93/97/267109397.db2.gz UNDSCDXOFRWVRJ-CVEARBPZSA-N 1 1 278.440 3.455 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCCn1ccnc1 ZINC000367762475 267116474 /nfs/dbraw/zinc/11/64/74/267116474.db2.gz CICUYDBRSBSHGK-MSOLQXFVSA-N 1 1 294.402 3.045 20 30 CGEDMO N#Cc1cc(F)ccc1NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528209872 270157889 /nfs/dbraw/zinc/15/78/89/270157889.db2.gz NVFNOXQAKPRMTQ-HNNXBMFYSA-N 1 1 273.355 3.126 20 30 CGEDMO Cc1noc([C@H]2CCC[N@@H+](CCCCC(C)(C)C#N)C2)n1 ZINC000368439259 267173129 /nfs/dbraw/zinc/17/31/29/267173129.db2.gz SJNSZJVJGJNKNU-AWEZNQCLSA-N 1 1 290.411 3.278 20 30 CGEDMO C=CCCC[N@@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000117878210 267224010 /nfs/dbraw/zinc/22/40/10/267224010.db2.gz OVLXRLCGFKNVDF-HNNXBMFYSA-N 1 1 267.319 3.304 20 30 CGEDMO C=CCCC[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000117878210 267224013 /nfs/dbraw/zinc/22/40/13/267224013.db2.gz OVLXRLCGFKNVDF-HNNXBMFYSA-N 1 1 267.319 3.304 20 30 CGEDMO C=CCCC[N@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000369411602 267239864 /nfs/dbraw/zinc/23/98/64/267239864.db2.gz LZGNNIQOSCUIRI-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCCCCC[N@H+]1CCOC[C@H]1c1c(C)nn(C)c1C ZINC000369483794 267245756 /nfs/dbraw/zinc/24/57/56/267245756.db2.gz JSZBSOVBFHPZGW-INIZCTEOSA-N 1 1 291.439 3.157 20 30 CGEDMO C=CCCCCC[N@@H+]1CCOC[C@H]1c1c(C)nn(C)c1C ZINC000369483794 267245758 /nfs/dbraw/zinc/24/57/58/267245758.db2.gz JSZBSOVBFHPZGW-INIZCTEOSA-N 1 1 291.439 3.157 20 30 CGEDMO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 ZINC000369519355 267247321 /nfs/dbraw/zinc/24/73/21/267247321.db2.gz MJYLSUDAEDRLTP-QDMKHBRRSA-N 1 1 294.439 3.473 20 30 CGEDMO N#CCSCCC[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000369838311 267270944 /nfs/dbraw/zinc/27/09/44/267270944.db2.gz SUWVSPIMMJQKFN-INIZCTEOSA-N 1 1 290.432 3.177 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H]1c1nc(-c2cccc(OC)c2)c[nH]1 ZINC000371182648 267361104 /nfs/dbraw/zinc/36/11/04/267361104.db2.gz FGCJWTIDCMHLBT-KRWDZBQOSA-N 1 1 295.386 3.246 20 30 CGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NCC2(C#N)CCC2)C1 ZINC000418136584 267368697 /nfs/dbraw/zinc/36/86/97/267368697.db2.gz CONZLHHCTNZWCG-NVXWUHKLSA-N 1 1 283.419 3.105 20 30 CGEDMO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]CC2(C#N)CCC2)C1 ZINC000418136584 267368699 /nfs/dbraw/zinc/36/86/99/267368699.db2.gz CONZLHHCTNZWCG-NVXWUHKLSA-N 1 1 283.419 3.105 20 30 CGEDMO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1ccccc1C#N ZINC000528766246 270172024 /nfs/dbraw/zinc/17/20/24/270172024.db2.gz JTDJSNQDBXSWCQ-LLVKDONJSA-N 1 1 250.292 3.178 20 30 CGEDMO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1ccccc1C#N ZINC000528766246 270172025 /nfs/dbraw/zinc/17/20/25/270172025.db2.gz JTDJSNQDBXSWCQ-LLVKDONJSA-N 1 1 250.292 3.178 20 30 CGEDMO N#Cc1ccc(C[N@H+](Cc2cccnc2)C2CC2)s1 ZINC000290490930 268063863 /nfs/dbraw/zinc/06/38/63/268063863.db2.gz OPRSVONWTQOHSY-UHFFFAOYSA-N 1 1 269.373 3.179 20 30 CGEDMO N#Cc1ccc(C[N@@H+](Cc2cccnc2)C2CC2)s1 ZINC000290490930 268063867 /nfs/dbraw/zinc/06/38/67/268063867.db2.gz OPRSVONWTQOHSY-UHFFFAOYSA-N 1 1 269.373 3.179 20 30 CGEDMO C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cc(F)ccc1C#N ZINC000532091694 270213801 /nfs/dbraw/zinc/21/38/01/270213801.db2.gz JWVPTTKTFDXQPM-CQSZACIVSA-N 1 1 298.361 3.080 20 30 CGEDMO C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1C#N ZINC000532091694 270213802 /nfs/dbraw/zinc/21/38/02/270213802.db2.gz JWVPTTKTFDXQPM-CQSZACIVSA-N 1 1 298.361 3.080 20 30 CGEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1cccc(F)c1C#N ZINC000341095727 274296193 /nfs/dbraw/zinc/29/61/93/274296193.db2.gz HHUIQGMSABTITL-BETUJISGSA-N 1 1 275.371 3.372 20 30 CGEDMO N#C[C@H]1CC[C@@H]([NH+]2CCN(c3ccccc3Cl)CC2)C1 ZINC000336435496 274917342 /nfs/dbraw/zinc/91/73/42/274917342.db2.gz OQVKZTKUWUETDN-UONOGXRCSA-N 1 1 289.810 3.154 20 30 CGEDMO CC(C)[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000515852124 276027136 /nfs/dbraw/zinc/02/71/36/276027136.db2.gz ORPVSELBPXTUPQ-CQSZACIVSA-N 1 1 273.336 3.087 20 30 CGEDMO C[C@@H](CCNc1ccnc(C#N)c1)[N@@H+](C)Cc1ccccc1 ZINC000342792136 278233878 /nfs/dbraw/zinc/23/38/78/278233878.db2.gz TXEBSILSGBVHJJ-HNNXBMFYSA-N 1 1 294.402 3.276 20 30 CGEDMO C[C@H]1SCC[N@H+](Cc2cc(C#N)ccc2F)[C@H]1C ZINC000134773286 280090426 /nfs/dbraw/zinc/09/04/26/280090426.db2.gz CRWSQGGTSULQKX-WDEREUQCSA-N 1 1 264.369 3.023 20 30 CGEDMO C[C@H]1SCC[N@@H+](Cc2cc(C#N)ccc2F)[C@H]1C ZINC000134773286 280090428 /nfs/dbraw/zinc/09/04/28/280090428.db2.gz CRWSQGGTSULQKX-WDEREUQCSA-N 1 1 264.369 3.023 20 30 CGEDMO CC[C@H]1CCC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000330803517 281075812 /nfs/dbraw/zinc/07/58/12/281075812.db2.gz KGGPYXRRMPLVKF-SWLSCSKDSA-N 1 1 271.364 3.257 20 30 CGEDMO Cc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000543761862 288819233 /nfs/dbraw/zinc/81/92/33/288819233.db2.gz AJQFTGLIJXBCRZ-UGSOOPFHSA-N 1 1 298.361 3.390 20 30 CGEDMO N#Cc1ccc(O[C@@H]2CC[N@H+]([C@H]3C=CCCCCC3)C2)nc1 ZINC000550105612 289066910 /nfs/dbraw/zinc/06/69/10/289066910.db2.gz NZUJKWCJIFVXHL-DLBZAZTESA-N 1 1 297.402 3.295 20 30 CGEDMO C[N@H+](Cc1cccc(Cl)c1)Cc1ccc(C#N)cn1 ZINC000555674299 289356827 /nfs/dbraw/zinc/35/68/27/289356827.db2.gz XCYCLVRHLXUOEZ-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO C[N@@H+](Cc1cccc(Cl)c1)Cc1ccc(C#N)cn1 ZINC000555674299 289356830 /nfs/dbraw/zinc/35/68/30/289356830.db2.gz XCYCLVRHLXUOEZ-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO N#Cc1cnc(C[NH2+][C@@H](CC2CCC2)c2ccccc2)nc1 ZINC000557258632 289435744 /nfs/dbraw/zinc/43/57/44/289435744.db2.gz ZVRQTFYATOHHES-KRWDZBQOSA-N 1 1 292.386 3.369 20 30 CGEDMO C[C@H]1CC(C)(C)C[N@H+]1[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000335188708 290338410 /nfs/dbraw/zinc/33/84/10/290338410.db2.gz IBQCFCMMUHHJOO-SMDDNHRTSA-N 1 1 271.364 3.255 20 30 CGEDMO N#Cc1ccc([C@H](C(N)=O)[N@@H+]2CCCC3(CC3)C2)cc1 ZINC000334624343 303199989 /nfs/dbraw/zinc/19/99/89/303199989.db2.gz PVANZDOMDTXPKM-CQSZACIVSA-N 1 1 269.348 3.011 20 30 CGEDMO N#Cc1ccc([C@H](C(N)=O)[N@H+]2CCCC3(CC3)C2)cc1 ZINC000334624343 303199992 /nfs/dbraw/zinc/19/99/92/303199992.db2.gz PVANZDOMDTXPKM-CQSZACIVSA-N 1 1 269.348 3.011 20 30 CGEDMO C[N@@H+](Cc1ccc(OCC#N)cc1)C1Cc2ccccc2C1 ZINC000264570989 328160459 /nfs/dbraw/zinc/16/04/59/328160459.db2.gz RTSUZUDUDLMUHR-UHFFFAOYSA-N 1 1 292.382 3.188 20 30 CGEDMO Cc1ccccc1[C@H]1CC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000264883147 328162702 /nfs/dbraw/zinc/16/27/02/328162702.db2.gz RMRLOPJIQDUTPG-HOTGVXAUSA-N 1 1 267.376 3.228 20 30 CGEDMO CCC[N@@H+](Cc1ccc(F)cc1)C[C@@H](C#N)CCC#N ZINC000264890824 328162735 /nfs/dbraw/zinc/16/27/35/328162735.db2.gz SZOAWECZVISEMU-OAHLLOKOSA-N 1 1 273.355 3.481 20 30 CGEDMO CCC[N@H+](Cc1ccc(F)cc1)C[C@@H](C#N)CCC#N ZINC000264890824 328162737 /nfs/dbraw/zinc/16/27/37/328162737.db2.gz SZOAWECZVISEMU-OAHLLOKOSA-N 1 1 273.355 3.481 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C(C)(C)C1 ZINC000266912224 328170439 /nfs/dbraw/zinc/17/04/39/328170439.db2.gz DNSHVDMFXZKHHI-CYBMUJFWSA-N 1 1 258.365 3.209 20 30 CGEDMO CCC[N@@H+](CC(=O)Nc1ccccc1C)[C@H]1CC[C@H](C#N)C1 ZINC000278538024 328226811 /nfs/dbraw/zinc/22/68/11/328226811.db2.gz FZVYESLUYCJTHO-HOTGVXAUSA-N 1 1 299.418 3.338 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1cccc(OC(F)F)c1 ZINC000184086707 329255964 /nfs/dbraw/zinc/25/59/64/329255964.db2.gz IFMYUPOLWAYOCY-NSHDSACASA-N 1 1 254.280 3.070 20 30 CGEDMO N#CCCOCC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000292742012 328273309 /nfs/dbraw/zinc/27/33/09/328273309.db2.gz HJJCGOTWRLFWGN-INIZCTEOSA-N 1 1 276.355 3.283 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CC1)c1cccc(Br)c1 ZINC000336742218 328284572 /nfs/dbraw/zinc/28/45/72/328284572.db2.gz NZAMAYFPZKIXRW-JTQLQIEISA-N 1 1 279.181 3.403 20 30 CGEDMO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@H+]1CCOCCC#N ZINC000296554400 328291181 /nfs/dbraw/zinc/29/11/81/328291181.db2.gz CCOYZNVJEGOIDP-HLLBOEOZSA-N 1 1 272.392 3.183 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC12CCC2 ZINC000565043867 322056567 /nfs/dbraw/zinc/05/65/67/322056567.db2.gz IUNUIQFSRWBVFB-ZDUSSCGKSA-N 1 1 299.374 3.479 20 30 CGEDMO C[C@@H]1C[C@@H](Nc2ccc(Cl)cc2C#N)C[N@H+]1C1CC1 ZINC000569635161 322252530 /nfs/dbraw/zinc/25/25/30/322252530.db2.gz QOYIWFNROGJBPJ-ZWNOBZJWSA-N 1 1 275.783 3.249 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(-n2nc(C)cc2C)cc1 ZINC000584181410 327060900 /nfs/dbraw/zinc/06/09/00/327060900.db2.gz YDVFWNRJZARYRV-INIZCTEOSA-N 1 1 282.391 3.271 20 30 CGEDMO C[C@H](c1ccco1)[N@@H+](CCCSCC#N)C1CC1 ZINC000086233771 327156185 /nfs/dbraw/zinc/15/61/85/327156185.db2.gz HHBRZGDIYONXOY-GFCCVEGCSA-N 1 1 264.394 3.452 20 30 CGEDMO C[N@H+](Cc1ccc2c(c1)OCCCCO2)CC(C)(C)C#N ZINC000449342187 327164865 /nfs/dbraw/zinc/16/48/65/327164865.db2.gz ZREWNKORWOWWDR-UHFFFAOYSA-N 1 1 288.391 3.220 20 30 CGEDMO C[N@@H+](Cc1ccc2c(c1)OCCCCO2)CC(C)(C)C#N ZINC000449342187 327164866 /nfs/dbraw/zinc/16/48/66/327164866.db2.gz ZREWNKORWOWWDR-UHFFFAOYSA-N 1 1 288.391 3.220 20 30 CGEDMO C=CCCCC[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000560220401 327291053 /nfs/dbraw/zinc/29/10/53/327291053.db2.gz FPCYRPITFQYKIW-MRXNPFEDSA-N 1 1 261.365 3.122 20 30 CGEDMO C=CCCCC[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000560220401 327291054 /nfs/dbraw/zinc/29/10/54/327291054.db2.gz FPCYRPITFQYKIW-MRXNPFEDSA-N 1 1 261.365 3.122 20 30 CGEDMO CC(C)[N@H+](CC(=O)N(CCC#N)c1ccccc1)CC1CC1 ZINC000560456919 327309286 /nfs/dbraw/zinc/30/92/86/327309286.db2.gz LCOZKQMSMMLOIS-UHFFFAOYSA-N 1 1 299.418 3.054 20 30 CGEDMO C=CCCC[N@@H+](Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC000579608198 327395616 /nfs/dbraw/zinc/39/56/16/327395616.db2.gz LASCAQYSJGHQOF-QAQDUYKDSA-N 1 1 289.419 3.464 20 30 CGEDMO C=CCCCCCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000377007305 329009066 /nfs/dbraw/zinc/00/90/66/329009066.db2.gz NETUIWLYRZGDHL-CVEARBPZSA-N 1 1 293.455 3.001 20 30 CGEDMO CC(C)[C@@]1(CO)CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000377733697 329027484 /nfs/dbraw/zinc/02/74/84/329027484.db2.gz YIZBBWIUNHXRJS-KRWDZBQOSA-N 1 1 291.822 3.032 20 30 CGEDMO CC#CC[N@@H+](CC)Cc1cc(Br)ccc1F ZINC000582777487 329169156 /nfs/dbraw/zinc/16/91/56/329169156.db2.gz OSQQRIUELWJULR-UHFFFAOYSA-N 1 1 284.172 3.433 20 30 CGEDMO CC#CC[N@H+](CC)Cc1cc(Br)ccc1F ZINC000582777487 329169157 /nfs/dbraw/zinc/16/91/57/329169157.db2.gz OSQQRIUELWJULR-UHFFFAOYSA-N 1 1 284.172 3.433 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000177166315 329181525 /nfs/dbraw/zinc/18/15/25/329181525.db2.gz GAUOCHIUPZTAKO-UHFFFAOYSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1ncc(-c2cccc(F)c2)o1 ZINC000181265460 329228531 /nfs/dbraw/zinc/22/85/31/329228531.db2.gz UKWDXGITGCMMHC-UHFFFAOYSA-N 1 1 260.312 3.489 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ncc(-c2cccc(F)c2)o1 ZINC000181265460 329228532 /nfs/dbraw/zinc/22/85/32/329228532.db2.gz UKWDXGITGCMMHC-UHFFFAOYSA-N 1 1 260.312 3.489 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000181331866 329231646 /nfs/dbraw/zinc/23/16/46/329231646.db2.gz NJLDGLFABXCDPJ-JTQLQIEISA-N 1 1 290.436 3.459 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000181331866 329231648 /nfs/dbraw/zinc/23/16/48/329231648.db2.gz NJLDGLFABXCDPJ-JTQLQIEISA-N 1 1 290.436 3.459 20 30 CGEDMO N#CCC[C@H](C#N)C[NH+]1CCC(c2ccccc2)CC1 ZINC000073895131 329862668 /nfs/dbraw/zinc/86/26/68/329862668.db2.gz AONDVCWUTIJHRF-OAHLLOKOSA-N 1 1 267.376 3.310 20 30 CGEDMO C=CC[C@@H](C)[C@H](C)[NH2+]CC(F)(F)c1cccc(OC)n1 ZINC000572019828 329938001 /nfs/dbraw/zinc/93/80/01/329938001.db2.gz UNEHSQWMIHKJLS-NEPJUHHUSA-N 1 1 284.350 3.372 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)C[C@H]1CCCC[C@@H]1O ZINC000572443845 330085485 /nfs/dbraw/zinc/08/54/85/330085485.db2.gz ICXXAEUHIFGFCB-SJORKVTESA-N 1 1 259.393 3.226 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cccc(OC)c1O ZINC000272674191 330087151 /nfs/dbraw/zinc/08/71/51/330087151.db2.gz UHMWDVZUNYAYJW-UHFFFAOYSA-N 1 1 287.359 3.225 20 30 CGEDMO C=CC[C@@H](C)[C@H](C)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423528514 330210398 /nfs/dbraw/zinc/21/03/98/330210398.db2.gz OLTMCLMAOJRCCA-FAHUBJGNSA-N 1 1 276.468 3.330 20 30 CGEDMO C=CCn1cc(C[NH2+][C@H]2CCCCc3ccccc32)nn1 ZINC000424111597 330240014 /nfs/dbraw/zinc/24/00/14/330240014.db2.gz AWNWQRALPXXECJ-KRWDZBQOSA-N 1 1 282.391 3.021 20 30 CGEDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(C#N)(CC)CC ZINC000528325078 330318806 /nfs/dbraw/zinc/31/88/06/330318806.db2.gz GQQVJFZQENELRP-HNNXBMFYSA-N 1 1 293.455 3.087 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cccnc1C(F)(F)F ZINC000528351649 330321533 /nfs/dbraw/zinc/32/15/33/330321533.db2.gz QRWHKDFAHRQQHG-UHFFFAOYSA-N 1 1 256.271 3.274 20 30 CGEDMO C=CCn1cc(C[NH2+][C@H]2CC[C@H](C)c3ccccc32)nn1 ZINC000424292325 330335151 /nfs/dbraw/zinc/33/51/51/330335151.db2.gz GLRCVRAOEWFUJF-GUYCJALGSA-N 1 1 282.391 3.192 20 30 CGEDMO C=CCn1cc(C[NH2+][C@@H]2C[C@@H](C(C)C)c3ccccc32)nn1 ZINC000424297894 330336439 /nfs/dbraw/zinc/33/64/39/330336439.db2.gz RHGISKKBVSHJCD-ZWKOTPCHSA-N 1 1 296.418 3.438 20 30 CGEDMO C=CCn1cc(C[NH2+][C@@H]2CCC(C)(C)c3ccccc32)nn1 ZINC000424299509 330336842 /nfs/dbraw/zinc/33/68/42/330336842.db2.gz VMFXPSHTTOSRRW-QGZVFWFLSA-N 1 1 296.418 3.366 20 30 CGEDMO C=CCn1cc(C[NH2+][C@@H](CC2CCC2)c2ccccc2)nn1 ZINC000424299672 330336942 /nfs/dbraw/zinc/33/69/42/330336942.db2.gz VWZKEBSVMNBPFO-SFHVURJKSA-N 1 1 296.418 3.485 20 30 CGEDMO C=CCn1cc(C[NH2+][C@@H]2CC[C@H](C)c3ccsc32)nn1 ZINC000424299677 330336946 /nfs/dbraw/zinc/33/69/46/330336946.db2.gz VXZIBYYGLWEVAA-SMDDNHRTSA-N 1 1 288.420 3.254 20 30 CGEDMO C[C@@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000424316776 330339586 /nfs/dbraw/zinc/33/95/86/330339586.db2.gz BJKBUQQHPSFGNR-CYGHRXIMSA-N 1 1 289.467 3.311 20 30 CGEDMO CC(C)(C)C[N@H+](CC#Cc1cccc(Cl)c1)CCCO ZINC000533325535 330357452 /nfs/dbraw/zinc/35/74/52/330357452.db2.gz MMZPLNRMTPDGRJ-UHFFFAOYSA-N 1 1 293.838 3.422 20 30 CGEDMO Clc1cccc(C#CC[N@H+]2CCCSCC2)c1 ZINC000089985043 330388906 /nfs/dbraw/zinc/38/89/06/330388906.db2.gz PNYQWMOCXKWHME-UHFFFAOYSA-N 1 1 265.809 3.130 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@H](N2CCCCC2)C1 ZINC000537038181 330393295 /nfs/dbraw/zinc/39/32/95/330393295.db2.gz WHCXJZQXRPPWCT-CVEARBPZSA-N 1 1 250.430 3.291 20 30 CGEDMO C=CCCC[C@@H](C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000537038181 330393296 /nfs/dbraw/zinc/39/32/96/330393296.db2.gz WHCXJZQXRPPWCT-CVEARBPZSA-N 1 1 250.430 3.291 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000121040622 330395302 /nfs/dbraw/zinc/39/53/02/330395302.db2.gz BJLGTRKBBIZFHB-HZPDHXFCSA-N 1 1 288.435 3.459 20 30 CGEDMO CCCn1ncnc1C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433016188 330612195 /nfs/dbraw/zinc/61/21/95/330612195.db2.gz OJTKURCWYVEZFH-MRXNPFEDSA-N 1 1 297.406 3.213 20 30 CGEDMO N#CC1(C[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CCC1 ZINC000450846199 331002479 /nfs/dbraw/zinc/00/24/79/331002479.db2.gz OXOYFPWUOOZRKS-LSDHHAIUSA-N 1 1 292.329 3.078 20 30 CGEDMO N#CC1(C[NH2+][C@H](CCO)c2ccc(Cl)cc2)CCC1 ZINC000451033754 331012689 /nfs/dbraw/zinc/01/26/89/331012689.db2.gz ZAEQUDAKQUSAPU-CQSZACIVSA-N 1 1 278.783 3.047 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000451216144 331020868 /nfs/dbraw/zinc/02/08/68/331020868.db2.gz MHVZNLYIKNVLPC-CABCVRRESA-N 1 1 280.456 3.345 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451427375 331029108 /nfs/dbraw/zinc/02/91/08/331029108.db2.gz XCGCYGIETJYCIU-CAOSSQGBSA-N 1 1 251.414 3.357 20 30 CGEDMO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ncc(-c2ccc(C)cc2)o1 ZINC000451606190 331036358 /nfs/dbraw/zinc/03/63/58/331036358.db2.gz MGOFJJSYXGYRLW-CABCVRRESA-N 1 1 284.359 3.083 20 30 CGEDMO N#CCC[NH+]1CCC(Cc2cccc(F)c2F)CC1 ZINC000451962205 331048472 /nfs/dbraw/zinc/04/84/72/331048472.db2.gz VPDRMKAQACMCIY-UHFFFAOYSA-N 1 1 264.319 3.133 20 30 CGEDMO C=CC(C)(C)CNC(=O)[C@@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000452781281 331077616 /nfs/dbraw/zinc/07/76/16/331077616.db2.gz HGPXZHOZUWJFFC-MRXNPFEDSA-N 1 1 288.435 3.225 20 30 CGEDMO CC[N@@H+]1C[C@@H](C)N(CC#Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000459490620 331284825 /nfs/dbraw/zinc/28/48/25/331284825.db2.gz YKWMCNVIHBOFMC-GASCZTMLSA-N 1 1 290.838 3.106 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000459557124 331287689 /nfs/dbraw/zinc/28/76/89/331287689.db2.gz GUBVULVTPRCJID-OAHLLOKOSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CCOCC[N@@H+]1Cc2sccc2CC1(C)C ZINC000459577889 331288979 /nfs/dbraw/zinc/28/89/79/331288979.db2.gz HYGIBBAQSPZUSV-UHFFFAOYSA-N 1 1 251.395 3.087 20 30 CGEDMO N#CC1(CCC[N@@H+]2Cc3cccc(F)c3C2)CCOCC1 ZINC000459731847 331296539 /nfs/dbraw/zinc/29/65/39/331296539.db2.gz INJVIHZNPVHXRR-UHFFFAOYSA-N 1 1 288.366 3.242 20 30 CGEDMO N#CC1(CCC[N@H+]2Cc3cccc(F)c3C2)CCOCC1 ZINC000459731847 331296540 /nfs/dbraw/zinc/29/65/40/331296540.db2.gz INJVIHZNPVHXRR-UHFFFAOYSA-N 1 1 288.366 3.242 20 30 CGEDMO C=CCOCCC[N@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC000459754025 331298540 /nfs/dbraw/zinc/29/85/40/331298540.db2.gz DPFFUMOMOGAAOG-AWEZNQCLSA-N 1 1 265.372 3.281 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc(Cl)c1 ZINC000489440175 332052551 /nfs/dbraw/zinc/05/25/51/332052551.db2.gz SADGZOSGTZDHGC-CQSZACIVSA-N 1 1 278.783 3.319 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(Cl)c1 ZINC000489440175 332052552 /nfs/dbraw/zinc/05/25/52/332052552.db2.gz SADGZOSGTZDHGC-CQSZACIVSA-N 1 1 278.783 3.319 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(-c2ccco2)on1 ZINC000489474042 332054923 /nfs/dbraw/zinc/05/49/23/332054923.db2.gz IDIPRZDWPCXZQW-CYBMUJFWSA-N 1 1 258.321 3.475 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cc(-c2ccco2)on1 ZINC000489474042 332054924 /nfs/dbraw/zinc/05/49/24/332054924.db2.gz IDIPRZDWPCXZQW-CYBMUJFWSA-N 1 1 258.321 3.475 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccc(OC)cc2)no1 ZINC000489493278 332056279 /nfs/dbraw/zinc/05/62/79/332056279.db2.gz RSROQTQGYUOWIY-CQSZACIVSA-N 1 1 299.374 3.286 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(OC)cc2)no1 ZINC000489493278 332056280 /nfs/dbraw/zinc/05/62/80/332056280.db2.gz RSROQTQGYUOWIY-CQSZACIVSA-N 1 1 299.374 3.286 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ncc(C)c(OC)c1C ZINC000489497550 332056603 /nfs/dbraw/zinc/05/66/03/332056603.db2.gz MWWNONGMIYOVEC-AWEZNQCLSA-N 1 1 260.381 3.248 20 30 CGEDMO C=C[C@H]1CCCCN1Cc1[nH+]cc(C)c(OC)c1C ZINC000489497550 332056606 /nfs/dbraw/zinc/05/66/06/332056606.db2.gz MWWNONGMIYOVEC-AWEZNQCLSA-N 1 1 260.381 3.248 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc(SC)c1 ZINC000489505723 332057333 /nfs/dbraw/zinc/05/73/33/332057333.db2.gz FBVQGPORBVEEJD-CQSZACIVSA-N 1 1 290.432 3.388 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(SC)c1 ZINC000489505723 332057334 /nfs/dbraw/zinc/05/73/34/332057334.db2.gz FBVQGPORBVEEJD-CQSZACIVSA-N 1 1 290.432 3.388 20 30 CGEDMO C#CC[N@H+](Cc1nc(C2CC2)cs1)C1CCCC1 ZINC000490933568 332130453 /nfs/dbraw/zinc/13/04/53/332130453.db2.gz DSSLJBBBYABWBO-UHFFFAOYSA-N 1 1 260.406 3.398 20 30 CGEDMO C#CC[N@@H+](Cc1nc(C2CC2)cs1)C1CCCC1 ZINC000490933568 332130455 /nfs/dbraw/zinc/13/04/55/332130455.db2.gz DSSLJBBBYABWBO-UHFFFAOYSA-N 1 1 260.406 3.398 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000491209714 332166512 /nfs/dbraw/zinc/16/65/12/332166512.db2.gz KTQQTCJKXBVLHR-UHFFFAOYSA-N 1 1 272.323 3.324 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000491209714 332166513 /nfs/dbraw/zinc/16/65/13/332166513.db2.gz KTQQTCJKXBVLHR-UHFFFAOYSA-N 1 1 272.323 3.324 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1cc(-c2ccc(C)cc2)no1 ZINC000491326273 332190342 /nfs/dbraw/zinc/19/03/42/332190342.db2.gz LOQXEJVCMLYJCB-CYBMUJFWSA-N 1 1 254.333 3.104 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(-c2ccc(C)cc2)no1 ZINC000491326273 332190343 /nfs/dbraw/zinc/19/03/43/332190343.db2.gz LOQXEJVCMLYJCB-CYBMUJFWSA-N 1 1 254.333 3.104 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1c(C)nn(Cc2ccccc2)c1C ZINC000491545547 332235160 /nfs/dbraw/zinc/23/51/60/332235160.db2.gz QXDMGAFKLVWIQH-AWEZNQCLSA-N 1 1 281.403 3.002 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1c(C)nn(Cc2ccccc2)c1C ZINC000491545547 332235162 /nfs/dbraw/zinc/23/51/62/332235162.db2.gz QXDMGAFKLVWIQH-AWEZNQCLSA-N 1 1 281.403 3.002 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1cc2ccccc2c(Cl)n1 ZINC000491619611 332245748 /nfs/dbraw/zinc/24/57/48/332245748.db2.gz BCBYWPAFZJJSJK-NSHDSACASA-N 1 1 258.752 3.342 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)CCCC(=O)Nc1c(C)cc(C)cc1C ZINC000491676489 332281841 /nfs/dbraw/zinc/28/18/41/332281841.db2.gz NZCDUPWQDPWJEZ-INIZCTEOSA-N 1 1 286.419 3.284 20 30 CGEDMO C#C[C@H]([NH2+]Cc1ccncc1)c1ccc(Cl)cc1 ZINC000491688402 332286035 /nfs/dbraw/zinc/28/60/35/332286035.db2.gz BDOLSVDUAXOLAJ-HNNXBMFYSA-N 1 1 256.736 3.199 20 30 CGEDMO C#CC[N@@H+](Cc1cc(-c2ccc(F)cc2)no1)C1CC1 ZINC000491821304 332370694 /nfs/dbraw/zinc/37/06/94/332370694.db2.gz VGSWHBUZZSTLSE-UHFFFAOYSA-N 1 1 270.307 3.078 20 30 CGEDMO C#CC[N@H+](Cc1cc(-c2ccc(F)cc2)no1)C1CC1 ZINC000491821304 332370695 /nfs/dbraw/zinc/37/06/95/332370695.db2.gz VGSWHBUZZSTLSE-UHFFFAOYSA-N 1 1 270.307 3.078 20 30 CGEDMO C=CCCCCC[N@H+](C)CCn1cnc2ccccc2c1=O ZINC000172654709 335115433 /nfs/dbraw/zinc/11/54/33/335115433.db2.gz SMMAZXBQCJCQCH-UHFFFAOYSA-N 1 1 299.418 3.075 20 30 CGEDMO C[C@H](C#N)C[NH2+]Cc1ccc(N(C)c2ccccc2)nc1 ZINC000575822590 335119223 /nfs/dbraw/zinc/11/92/23/335119223.db2.gz QQESKPPZZIIYQA-CQSZACIVSA-N 1 1 280.375 3.099 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1cccc(CC#N)c1)C1CCCCC1 ZINC000564178513 333183852 /nfs/dbraw/zinc/18/38/52/333183852.db2.gz VBGXOKGVQYTOJB-UHFFFAOYSA-N 1 1 299.418 3.346 20 30 CGEDMO CC(C)C[C@]1(CO)CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000191647702 333222770 /nfs/dbraw/zinc/22/27/70/333222770.db2.gz YVYYTRCXCLQMSX-SFHVURJKSA-N 1 1 289.394 3.050 20 30 CGEDMO CCCC[N@@H+](C)CC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000191952038 333227434 /nfs/dbraw/zinc/22/74/34/333227434.db2.gz KIAAFBCXPSVEDC-UHFFFAOYSA-N 1 1 298.474 3.482 20 30 CGEDMO CCCC[N@H+](C)CC1CCN(CC#Cc2ccccc2)CC1 ZINC000191952038 333227436 /nfs/dbraw/zinc/22/74/36/333227436.db2.gz KIAAFBCXPSVEDC-UHFFFAOYSA-N 1 1 298.474 3.482 20 30 CGEDMO CCCC[N@@H+](C)CC1CCN(CC#Cc2ccccc2)CC1 ZINC000191952038 333227437 /nfs/dbraw/zinc/22/74/37/333227437.db2.gz KIAAFBCXPSVEDC-UHFFFAOYSA-N 1 1 298.474 3.482 20 30 CGEDMO C[N@H+](CC#Cc1ccccc1)CCc1ccc(F)cc1 ZINC000191959930 333227650 /nfs/dbraw/zinc/22/76/50/333227650.db2.gz LWFAUYVAGHWULL-UHFFFAOYSA-N 1 1 267.347 3.352 20 30 CGEDMO C(#Cc1ccccc1)C[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000192042419 333228650 /nfs/dbraw/zinc/22/86/50/333228650.db2.gz YXGVYDGMOOXYGS-LJQANCHMSA-N 1 1 283.415 3.462 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](CNC(=O)CCC)C1 ZINC000193328180 333247919 /nfs/dbraw/zinc/24/79/19/333247919.db2.gz JLXHGHFLZNZAAL-MRXNPFEDSA-N 1 1 280.456 3.361 20 30 CGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1[C@H](C)C[C@@H]1C ZINC000547769526 334116204 /nfs/dbraw/zinc/11/62/04/334116204.db2.gz KNWLHPWSSNYATE-HZSPNIEDSA-N 1 1 292.448 3.134 20 30 CGEDMO C=CCC(CC=C)C(=O)N(CC)C[C@H]1CCC[N@H+]1CC ZINC000547864501 334128107 /nfs/dbraw/zinc/12/81/07/334128107.db2.gz IZIKSJJCRBQAPJ-MRXNPFEDSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCOCCC[N@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000548095428 334139389 /nfs/dbraw/zinc/13/93/89/334139389.db2.gz GEFJULYFYDFPEA-ZDUSSCGKSA-N 1 1 263.356 3.338 20 30 CGEDMO Cc1cccc(N(CCC#N)C(=O)C[NH+]2[C@H](C)C[C@H]2C)c1C ZINC000548424499 334155648 /nfs/dbraw/zinc/15/56/48/334155648.db2.gz OFAZOUKNEINTOP-HUUCEWRRSA-N 1 1 299.418 3.033 20 30 CGEDMO C=CCOCC[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000549405403 334192781 /nfs/dbraw/zinc/19/27/81/334192781.db2.gz OXSRCEBPMJITGF-QGZVFWFLSA-N 1 1 259.393 3.459 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCC[C@H]1CC(=O)NCC ZINC000551416294 334249980 /nfs/dbraw/zinc/24/99/80/334249980.db2.gz JNNSBDVWWWTFQG-HNNXBMFYSA-N 1 1 266.429 3.114 20 30 CGEDMO CO[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)CC[C@H]1C ZINC000251774092 334369269 /nfs/dbraw/zinc/36/92/69/334369269.db2.gz LAAPGCYSPCUTEF-CZUORRHYSA-N 1 1 277.795 3.048 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cnc(-c2ccccn2)s1 ZINC000158146614 334794019 /nfs/dbraw/zinc/79/40/19/334794019.db2.gz WRFVBAZZAYFQQC-UHFFFAOYSA-N 1 1 271.389 3.379 20 30 CGEDMO CC(F)(F)c1ccc(C[NH2+]C[C@H](C#N)CCC#N)cc1 ZINC000569323687 334866913 /nfs/dbraw/zinc/86/69/13/334866913.db2.gz GKZBEWQHOIBIHG-ZDUSSCGKSA-N 1 1 277.318 3.331 20 30 CGEDMO CCC(CC)C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000576314501 335188561 /nfs/dbraw/zinc/18/85/61/335188561.db2.gz VWTZWQVKLBSKFG-UHFFFAOYSA-N 1 1 274.408 3.443 20 30 CGEDMO CC[C@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CCS1 ZINC000343538199 335208392 /nfs/dbraw/zinc/20/83/92/335208392.db2.gz NLNJNWXJNPBUAQ-HNNXBMFYSA-N 1 1 260.406 3.080 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@H+](C)C(C)(C)C)c1C ZINC000576634004 335228243 /nfs/dbraw/zinc/22/82/43/335228243.db2.gz VJEIPWLXSZUTFE-UHFFFAOYSA-N 1 1 262.397 3.204 20 30 CGEDMO C[C@H]1CC(C)(C)C[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000581073938 336004683 /nfs/dbraw/zinc/00/46/83/336004683.db2.gz KCQUSHFSGKPPAC-NSHDSACASA-N 1 1 273.336 3.087 20 30 CGEDMO Cc1ccc(C[C@H]2CCC[N@H+]2Cc2ccc(C#N)cn2)cc1 ZINC000581980078 336183265 /nfs/dbraw/zinc/18/32/65/336183265.db2.gz ARTULBLMFAFWQD-LJQANCHMSA-N 1 1 291.398 3.469 20 30 CGEDMO C[C@H](NC[C@@H]1[NH2+]CCc2ccccc21)c1cccc(C#N)c1 ZINC000423415061 533890373 /nfs/dbraw/zinc/89/03/73/533890373.db2.gz DHAVVTHNKJUHPR-LIRRHRJNSA-N 1 1 291.398 3.096 20 30 CGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2cnccc2C#N)C1 ZINC000359485867 534133848 /nfs/dbraw/zinc/13/38/48/534133848.db2.gz HSHLLEGIIHRDQM-PBHICJAKSA-N 1 1 292.386 3.201 20 30 CGEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)CC1CCCC1 ZINC000157668662 522040407 /nfs/dbraw/zinc/04/04/07/522040407.db2.gz DDVUIOOEEGZNAH-UHFFFAOYSA-N 1 1 288.391 3.068 20 30 CGEDMO CC[C@H]1CCCC[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000157308454 523029217 /nfs/dbraw/zinc/02/92/17/523029217.db2.gz LSRHAIYESYMGPP-HNNXBMFYSA-N 1 1 288.391 3.210 20 30 CGEDMO Cc1cnc(C(C)(C)[NH2+]Cc2ccc(F)c(C#N)c2)s1 ZINC000183972784 525981876 /nfs/dbraw/zinc/98/18/76/525981876.db2.gz FBCCDDXGQROBCM-UHFFFAOYSA-N 1 1 289.379 3.487 20 30 CGEDMO C=C(C)CC[N@H+](CCCC(=O)OC)Cc1ccccc1 ZINC000351894655 526440554 /nfs/dbraw/zinc/44/05/54/526440554.db2.gz YUQZCLWDQAWUKG-UHFFFAOYSA-N 1 1 275.392 3.408 20 30 CGEDMO N#Cc1cc(Cl)ccc1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000052857157 526554490 /nfs/dbraw/zinc/55/44/90/526554490.db2.gz WNRZVNPBKVROQL-NSHDSACASA-N 1 1 275.783 3.108 20 30 CGEDMO C=CCOc1ccc(C[NH2+][C@@H]2CCCc3c[nH]nc32)cc1 ZINC000345008403 526888823 /nfs/dbraw/zinc/88/88/23/526888823.db2.gz IGTLTQPNHZJZCB-MRXNPFEDSA-N 1 1 283.375 3.142 20 30 CGEDMO C=CCC(C)(C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000352546069 527013636 /nfs/dbraw/zinc/01/36/36/527013636.db2.gz OZXFDTHQBLDVJP-OAHLLOKOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000346976279 527194670 /nfs/dbraw/zinc/19/46/70/527194670.db2.gz ZLKTXTTVOMLLKZ-HUUCEWRRSA-N 1 1 286.419 3.251 20 30 CGEDMO C=CCC[C@@H](NCC[N@H+](CC)C1CC1)c1ccco1 ZINC000353495858 527448308 /nfs/dbraw/zinc/44/83/08/527448308.db2.gz KDDCKEUVJFUPPD-OAHLLOKOSA-N 1 1 262.397 3.361 20 30 CGEDMO C=CCC[C@@H]([NH2+]CCN(CC)C1CC1)c1ccco1 ZINC000353495858 527448314 /nfs/dbraw/zinc/44/83/14/527448314.db2.gz KDDCKEUVJFUPPD-OAHLLOKOSA-N 1 1 262.397 3.361 20 30 CGEDMO CC(=O)N[C@H](C)C1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC000330174462 527544070 /nfs/dbraw/zinc/54/40/70/527544070.db2.gz ZCQFYQZDEPFUCM-LLVKDONJSA-N 1 1 291.395 3.129 20 30 CGEDMO CC(C)(C)C[C@@H]1CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000356062371 527698316 /nfs/dbraw/zinc/69/83/16/527698316.db2.gz LEXVFJSNHRSIRD-LBPRGKRZSA-N 1 1 263.410 3.415 20 30 CGEDMO CC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C1CC(C)(C)C1 ZINC000412033511 527922761 /nfs/dbraw/zinc/92/27/61/527922761.db2.gz IDWRHRWGZYBBGE-UHFFFAOYSA-N 1 1 285.391 3.007 20 30 CGEDMO CC(C)[N@@H+](C)CCCN[C@@H](C)c1ccc(C#N)cc1F ZINC000358561311 528818376 /nfs/dbraw/zinc/81/83/76/528818376.db2.gz GIKKASAGKZEYOT-ZDUSSCGKSA-N 1 1 277.387 3.078 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@H]1Cn1nc(C#N)c2ccccc21 ZINC000412994617 529006957 /nfs/dbraw/zinc/00/69/57/529006957.db2.gz BGKNSTHUCXQDGX-AWEZNQCLSA-N 1 1 282.391 3.171 20 30 CGEDMO CCSCC[C@H](C)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000362457267 529191068 /nfs/dbraw/zinc/19/10/68/529191068.db2.gz YWKKLHLISOFZOK-AWEZNQCLSA-N 1 1 292.448 3.401 20 30 CGEDMO CC[C@@H](CSC)[N@@H+](C)Cc1cc(C#N)ccc1OC ZINC000091099379 535766565 /nfs/dbraw/zinc/76/65/65/535766565.db2.gz CJLJFOHBSXWELD-AWEZNQCLSA-N 1 1 278.421 3.140 20 30 CGEDMO CC[C@@]1(C)CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459357076 536049061 /nfs/dbraw/zinc/04/90/61/536049061.db2.gz DARCXDHRNQZEMI-HNNXBMFYSA-N 1 1 273.336 3.088 20 30 CGEDMO CC[C@@]1(C)CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459357076 536049064 /nfs/dbraw/zinc/04/90/64/536049064.db2.gz DARCXDHRNQZEMI-HNNXBMFYSA-N 1 1 273.336 3.088 20 30 CGEDMO N#Cc1ccc(-c2ccn(C[N@H+]3CCC[C@@H]3C3CC3)n2)cc1 ZINC000728559835 571811100 /nfs/dbraw/zinc/81/11/00/571811100.db2.gz LGTGXEVFWQMSRE-GOSISDBHSA-N 1 1 292.386 3.254 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)CCOc1cccc(F)c1 ZINC000739914350 572426618 /nfs/dbraw/zinc/42/66/18/572426618.db2.gz JAPAOFGLBBMYRS-UHFFFAOYSA-N 1 1 264.344 3.076 20 30 CGEDMO CC[C@H](C)C[N@@H+](C)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000732182272 572450736 /nfs/dbraw/zinc/45/07/36/572450736.db2.gz GAHRYNQKGGXGPH-AWEZNQCLSA-N 1 1 282.391 3.357 20 30 CGEDMO N#Cc1ccc(OCCC[N@H+]2CC[C@H](c3ccco3)C2)cc1 ZINC000732205333 572453145 /nfs/dbraw/zinc/45/31/45/572453145.db2.gz GHVQSKHOBHMWBA-INIZCTEOSA-N 1 1 296.370 3.410 20 30 CGEDMO C=C(Cl)C[N@H+](CCC)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000741054728 572480022 /nfs/dbraw/zinc/48/00/22/572480022.db2.gz UJFQCEZRBWWKPU-JHJVBQTASA-N 1 1 257.805 3.264 20 30 CGEDMO C=CCCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000741329052 572493574 /nfs/dbraw/zinc/49/35/74/572493574.db2.gz SULMWNHMYKGQIH-MRXNPFEDSA-N 1 1 273.376 3.018 20 30 CGEDMO C[C@@H]1CC(N=Nc2nc3ccccc3s2)CC[N@H+]1C ZINC000741450795 572498696 /nfs/dbraw/zinc/49/86/96/572498696.db2.gz BCGPFOTZSSDTBI-SNVBAGLBSA-N 1 1 274.393 3.178 20 30 CGEDMO CC[N@H+]1CCC(N=Nc2cccc3ncccc23)[C@@H](C)C1 ZINC000741460921 572499894 /nfs/dbraw/zinc/49/98/94/572499894.db2.gz UKWWPQUAQBMMJX-ZDUSSCGKSA-N 1 1 282.391 3.364 20 30 CGEDMO C=CC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C(C)C ZINC000743841689 572687221 /nfs/dbraw/zinc/68/72/21/572687221.db2.gz SEVHIXCITVMJGL-UHFFFAOYSA-N 1 1 282.347 3.005 20 30 CGEDMO C=CC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C(C)C ZINC000743841689 572687223 /nfs/dbraw/zinc/68/72/23/572687223.db2.gz SEVHIXCITVMJGL-UHFFFAOYSA-N 1 1 282.347 3.005 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1cccc2c1OCCO2 ZINC000735491974 572726396 /nfs/dbraw/zinc/72/63/96/572726396.db2.gz MMBJMYHWGLYKDH-UHFFFAOYSA-N 1 1 261.365 3.246 20 30 CGEDMO C=CC[N@H+](CCC(=O)Nc1cc(F)cc(F)c1)C(C)C ZINC000744389042 572748726 /nfs/dbraw/zinc/74/87/26/572748726.db2.gz GOMVGMSQBOOLFF-UHFFFAOYSA-N 1 1 282.334 3.190 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccc(OC(F)(F)F)cc1 ZINC000746457600 572871645 /nfs/dbraw/zinc/87/16/45/572871645.db2.gz LUVWAFMGPASVKV-UHFFFAOYSA-N 1 1 257.255 3.040 20 30 CGEDMO C#CC[N@@H+](CC)[C@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000746457805 572873045 /nfs/dbraw/zinc/87/30/45/572873045.db2.gz QTYCEKIVHOSLAA-CQSZACIVSA-N 1 1 280.371 3.122 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000746457805 572873049 /nfs/dbraw/zinc/87/30/49/572873049.db2.gz QTYCEKIVHOSLAA-CQSZACIVSA-N 1 1 280.371 3.122 20 30 CGEDMO C=CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OCC)C(C)C ZINC000747524838 572934392 /nfs/dbraw/zinc/93/43/92/572934392.db2.gz TYTZPTWRUZKYGZ-UHFFFAOYSA-N 1 1 278.352 3.390 20 30 CGEDMO Clc1ccccc1C#CC[NH+]1CCC(n2cccn2)CC1 ZINC000749514078 573015417 /nfs/dbraw/zinc/01/54/17/573015417.db2.gz KRSXPAHZOWPGMS-UHFFFAOYSA-N 1 1 299.805 3.225 20 30 CGEDMO CCCCCCC[N@@H+](CC(C)(C)O)C1CCOCC1 ZINC000750048247 573077656 /nfs/dbraw/zinc/07/76/56/573077656.db2.gz XDLHUJVGZDGQSM-UHFFFAOYSA-N 1 1 271.445 3.209 20 30 CGEDMO CCCCCCCCC[NH2+]Cc1ccc(-c2nn[nH]n2)o1 ZINC000821056409 599394765 /nfs/dbraw/zinc/39/47/65/599394765.db2.gz QPOPUDFEOKTYPJ-UHFFFAOYSA-N 1 1 291.399 3.300 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2(C)CCCC2)[C@H](C)C1 ZINC000942540130 613270503 /nfs/dbraw/zinc/27/05/03/613270503.db2.gz HEQZXMFONFWJEA-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2(C)CCC2)C[C@H]1C ZINC000947619168 613270586 /nfs/dbraw/zinc/27/05/86/613270586.db2.gz FTPNFCNNJYLARZ-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2CC)C(C)(C)C1 ZINC000941043979 613271798 /nfs/dbraw/zinc/27/17/98/613271798.db2.gz GASBMLYLYPQCDX-OAGGEKHMSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2cc(C)cc(C)c2)C1 ZINC000980265519 613285899 /nfs/dbraw/zinc/28/58/99/613285899.db2.gz OCTZZXRZZWEBNH-QGZVFWFLSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2CCC2)C1 ZINC000963247834 613314638 /nfs/dbraw/zinc/31/46/38/613314638.db2.gz PPYQMTLRZZSHCO-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC2CC2)C1 ZINC000963229814 613315424 /nfs/dbraw/zinc/31/54/24/613315424.db2.gz IVUHTRKNFIUHPA-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C=C2CCCCC2)C1 ZINC000965450504 613325574 /nfs/dbraw/zinc/32/55/74/613325574.db2.gz QIBOROHTNHHIHA-NVXWUHKLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C2CCC2)C[C@@H]1C ZINC000947582251 613326598 /nfs/dbraw/zinc/32/65/98/613326598.db2.gz ZKOQYGVELWNPLW-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CC2CC(C)(C)C2)C[C@H]1C ZINC000947649489 613327092 /nfs/dbraw/zinc/32/70/92/613327092.db2.gz QSFRISDTTBNLAA-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2CC(C)(C)C2)C(C)(C)C1 ZINC000940724650 613327159 /nfs/dbraw/zinc/32/71/59/613327159.db2.gz NDFNNJKPNZVGRZ-OAHLLOKOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2CCC=CCC2)C[C@@H]1C ZINC000948047901 613327388 /nfs/dbraw/zinc/32/73/88/613327388.db2.gz MIILPRIEGSDOKF-DOTOQJQBSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)CC2CCCCC2)[C@@H](C)C1 ZINC000941770747 613327437 /nfs/dbraw/zinc/32/74/37/613327437.db2.gz AYJZIMSHNODAME-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)cc2)C[C@@H]1C ZINC000947972007 613329509 /nfs/dbraw/zinc/32/95/09/613329509.db2.gz XEHPFUZXENJHCI-DOTOQJQBSA-N 1 1 286.419 3.154 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)s2)C[C@@H]1C ZINC000948082359 613329725 /nfs/dbraw/zinc/32/97/25/613329725.db2.gz BPQAEUPDZUWOQK-NWDGAFQWSA-N 1 1 296.411 3.046 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(C)cc2)C1 ZINC000968578253 613333051 /nfs/dbraw/zinc/33/30/51/613333051.db2.gz CPDJTAKLSHXRJK-RDJZCZTQSA-N 1 1 286.419 3.011 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C2CCC=CCC2)[C@@H](C)C1 ZINC000944995151 613335017 /nfs/dbraw/zinc/33/50/17/613335017.db2.gz QBYWDECGUXZENH-RDJZCZTQSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)cs2)C[C@@H]1C ZINC000947272018 613335787 /nfs/dbraw/zinc/33/57/87/613335787.db2.gz REDAHQDYKYMSIP-KBPBESRZSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)/C(C)=C/C)C2)C1 ZINC000961144720 613337582 /nfs/dbraw/zinc/33/75/82/613337582.db2.gz WASYSDJJZXAGNG-DJKUPCSYSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C2CCC(=C)CC2)C(C)(C)C1 ZINC000974986371 613337608 /nfs/dbraw/zinc/33/76/08/613337608.db2.gz IHRIBPILZNLYDY-MRXNPFEDSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)C[C@@H]2CC=CCC2)C(C)(C)C1 ZINC000974914090 613341338 /nfs/dbraw/zinc/34/13/38/613341338.db2.gz FWOAUXFHYQZTQQ-CVEARBPZSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)C2CCCC2)C1 ZINC000972701029 613368651 /nfs/dbraw/zinc/36/86/51/613368651.db2.gz RGSQINSXOJTAFV-UKRRQHHQSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)C2CCCC2)C1 ZINC000972701029 613368652 /nfs/dbraw/zinc/36/86/52/613368652.db2.gz RGSQINSXOJTAFV-UKRRQHHQSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@]2(C)CC=CCC2)C1 ZINC000971597277 613370591 /nfs/dbraw/zinc/37/05/91/613370591.db2.gz PYSKHZBQDWMPGR-GOEBONIOSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@]2(C)CC=CCC2)C1 ZINC000971597277 613370592 /nfs/dbraw/zinc/37/05/92/613370592.db2.gz PYSKHZBQDWMPGR-GOEBONIOSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)C1CC=CC1 ZINC000968790398 613372923 /nfs/dbraw/zinc/37/29/23/613372923.db2.gz FBSZJDZMJBKKLS-HNNXBMFYSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)C1CC=CC1 ZINC000968790398 613372924 /nfs/dbraw/zinc/37/29/24/613372924.db2.gz FBSZJDZMJBKKLS-HNNXBMFYSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[NH+]([C@H]2CCc3ccccc32)CC1 ZINC000949666836 613433811 /nfs/dbraw/zinc/43/38/11/613433811.db2.gz FWNAYYUHUXHZMZ-KRWDZBQOSA-N 1 1 298.430 3.030 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)CCC2CCCC2)C1 ZINC000972077916 613434567 /nfs/dbraw/zinc/43/45/67/613434567.db2.gz AXLNRDAGHVNMLH-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CCC[N@@H+](CC(C)C)C2 ZINC000981988116 613472548 /nfs/dbraw/zinc/47/25/48/613472548.db2.gz UKLUKAAIMDYOIV-KRWDZBQOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@H+]1CCCN(C(=O)C2CCC3(CC3)CC2)CC1 ZINC000981628172 613492269 /nfs/dbraw/zinc/49/22/69/613492269.db2.gz AEKIEWJIDSPDTG-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)C2(C)CCC2)CC1 ZINC000948680219 613500722 /nfs/dbraw/zinc/50/07/22/613500722.db2.gz DZSFNJHLLABPQX-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)C2=CCCCCC2)[C@@H](C)C1 ZINC000941993699 613519251 /nfs/dbraw/zinc/51/92/51/613519251.db2.gz URESIQCHFOTEIT-DOTOQJQBSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccoc2CC)C[C@@H]1C ZINC000947264891 613525161 /nfs/dbraw/zinc/52/51/61/613525161.db2.gz ABWUSSMAGZBKTM-UONOGXRCSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2csc(C)c2)C[C@H]1C ZINC000947811170 613527347 /nfs/dbraw/zinc/52/73/47/613527347.db2.gz XADVNKYMVYWKNJ-IUODEOHRSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C(C)=C2CCCC2)C1 ZINC000965891022 613530704 /nfs/dbraw/zinc/53/07/04/613530704.db2.gz PIXITAARUVSWMA-WMLDXEAASA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C2CCC2)C(C)(C)C1 ZINC000940835855 613536308 /nfs/dbraw/zinc/53/63/08/613536308.db2.gz DZLCEBCAFJMWAE-HOCLYGCPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(F)s2)C[C@@H]1C ZINC000948086132 613538302 /nfs/dbraw/zinc/53/83/02/613538302.db2.gz LNRVKTSSIGWCHQ-RYUDHWBXSA-N 1 1 296.411 3.046 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC000972613864 613615518 /nfs/dbraw/zinc/61/55/18/613615518.db2.gz CVDBSZNYIDCYDK-BRWVUGGUSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC000969018177 613684099 /nfs/dbraw/zinc/68/40/99/613684099.db2.gz XJYPRZTUFKPHAP-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1occc1CC ZINC000969014303 613685764 /nfs/dbraw/zinc/68/57/64/613685764.db2.gz WSYCUYZKFSYMDQ-OAHLLOKOSA-N 1 1 290.407 3.002 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1csc(C)c1 ZINC000969072670 613687533 /nfs/dbraw/zinc/68/75/33/613687533.db2.gz OXWRJLOEHHOYEU-HNNXBMFYSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)[C@]2(C)CC[C@H](C)C2(C)C)CC1 ZINC000982089199 613695316 /nfs/dbraw/zinc/69/53/16/613695316.db2.gz YANJQUHFSPIPBQ-YJBOKZPZSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)C(F)=C2CCCC2)CC1 ZINC000948294342 613700306 /nfs/dbraw/zinc/70/03/06/613700306.db2.gz AMALYFGPSWKEDO-OAHLLOKOSA-N 1 1 294.414 3.283 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2cc(C)c(C)o2)CC1 ZINC000948299233 613701664 /nfs/dbraw/zinc/70/16/64/613701664.db2.gz INVBOIPOFZUQCV-OAHLLOKOSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC2CCC2)C1 ZINC000963276618 613703469 /nfs/dbraw/zinc/70/34/69/613703469.db2.gz SQDRFYOVFXDQIB-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2(CC)CC2)C1 ZINC000963358051 613706482 /nfs/dbraw/zinc/70/64/82/613706482.db2.gz COXFJZXBVLZIBT-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C2CCCC2)C[C@@H]1C ZINC000947400160 613740693 /nfs/dbraw/zinc/74/06/93/613740693.db2.gz RPRWIYVMKSNCNO-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C3CC3)cc2)C[C@H]1C ZINC000948061248 613752293 /nfs/dbraw/zinc/75/22/93/613752293.db2.gz QPRXZIOPFJVFQJ-RDTXWAMCSA-N 1 1 298.430 3.333 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)(C)C2CCCC2)C1 ZINC000966778939 613766369 /nfs/dbraw/zinc/76/63/69/613766369.db2.gz BQVKIJWTJXHCQD-HOCLYGCPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cc(C)cc(C)c2)C[C@H]1C ZINC000947976263 613787681 /nfs/dbraw/zinc/78/76/81/613787681.db2.gz WVKSZKLTOZIMBA-WBVHZDCISA-N 1 1 286.419 3.072 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cccc(Cl)c2)C[C@@H]1C ZINC000947961559 613791202 /nfs/dbraw/zinc/79/12/02/613791202.db2.gz CHUOORYPLVBWHK-WFASDCNBSA-N 1 1 292.810 3.109 20 30 CGEDMO C=CC[C@H]1CCN1C(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000890549025 617634005 /nfs/dbraw/zinc/63/40/05/617634005.db2.gz FNDBZSWVAOMIGG-GJZGRUSLSA-N 1 1 292.810 3.120 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCC[C@@H](C3CCOCC3)C2)CC1 ZINC000933086536 618143438 /nfs/dbraw/zinc/14/34/38/618143438.db2.gz BZNREFDCTKYRGJ-LEOMRAHMSA-N 1 1 290.451 3.455 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCOC[C@H]2CC2CC2)CCC1 ZINC000933205549 618167376 /nfs/dbraw/zinc/16/73/76/618167376.db2.gz ZDUIKYPIHLOZGZ-MRXNPFEDSA-N 1 1 276.424 3.351 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H](CO)c1ccccc1C(F)(F)F ZINC000933239897 618171328 /nfs/dbraw/zinc/17/13/28/618171328.db2.gz KHSSIQYGDAWWGQ-NSHDSACASA-N 1 1 279.689 3.081 20 30 CGEDMO C#CCC1([NH2+]Cc2nc(Cc3ccccc3C)no2)CCC1 ZINC000933298113 618193930 /nfs/dbraw/zinc/19/39/30/618193930.db2.gz BWZZSGNSXUCXOW-UHFFFAOYSA-N 1 1 295.386 3.004 20 30 CGEDMO C#CC[N@H+](Cc1ccno1)[C@@H]1CCCc2ccccc21 ZINC000933418543 618228107 /nfs/dbraw/zinc/22/81/07/618228107.db2.gz LQSXFGWDMXZOGM-QGZVFWFLSA-N 1 1 266.344 3.187 20 30 CGEDMO C#CC[N@@H+](Cc1ccno1)[C@@H]1CCCc2ccccc21 ZINC000933418543 618228110 /nfs/dbraw/zinc/22/81/10/618228110.db2.gz LQSXFGWDMXZOGM-QGZVFWFLSA-N 1 1 266.344 3.187 20 30 CGEDMO C#CC[N@H+](CCC[C@@H](C)O)[C@H]1CCCc2ccccc21 ZINC000933417098 618228228 /nfs/dbraw/zinc/22/82/28/618228228.db2.gz FTBALRQKIDTWLA-QAPCUYQASA-N 1 1 271.404 3.160 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1C[C@@]1(C)Br ZINC000891605007 618241315 /nfs/dbraw/zinc/24/13/15/618241315.db2.gz VXDBRLBHKMQQQW-ZIAGYGMSSA-N 1 1 293.208 3.164 20 30 CGEDMO N#Cc1ccc(CC[N@@H+](Cc2ccoc2)C2CC2)cc1 ZINC000934004754 618419258 /nfs/dbraw/zinc/41/92/58/618419258.db2.gz SOWHQLGDONHJSU-UHFFFAOYSA-N 1 1 266.344 3.358 20 30 CGEDMO C=C(Cl)COc1ccc([C@H](C)[NH2+]CCCN(C)C)cc1 ZINC000151962167 618548387 /nfs/dbraw/zinc/54/83/87/618548387.db2.gz RBXVVVSXUMERNY-AWEZNQCLSA-N 1 1 296.842 3.420 20 30 CGEDMO C[C@H]1CSCCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000934300463 618584422 /nfs/dbraw/zinc/58/44/22/618584422.db2.gz PITZPBVEZKVKRC-NSHDSACASA-N 1 1 264.369 3.025 20 30 CGEDMO C[C@H]1CSCCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000934300463 618584428 /nfs/dbraw/zinc/58/44/28/618584428.db2.gz PITZPBVEZKVKRC-NSHDSACASA-N 1 1 264.369 3.025 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000934463183 618623698 /nfs/dbraw/zinc/62/36/98/618623698.db2.gz UOTOZCZMDLIJMB-WOPDTQHZSA-N 1 1 263.303 3.137 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1C1CC(OCc2ccccc2)C1 ZINC000934464538 618625230 /nfs/dbraw/zinc/62/52/30/618625230.db2.gz PMYKKAUBVUHWGA-GTPINHCMSA-N 1 1 257.377 3.385 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1ccn(-c2ccccc2)n1 ZINC000934468782 618625858 /nfs/dbraw/zinc/62/58/58/618625858.db2.gz JFHOEPIMJLSQBN-HNNXBMFYSA-N 1 1 253.349 3.023 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1ccn(-c2ccccc2)n1 ZINC000934468782 618625861 /nfs/dbraw/zinc/62/58/61/618625861.db2.gz JFHOEPIMJLSQBN-HNNXBMFYSA-N 1 1 253.349 3.023 20 30 CGEDMO c1ccc([C@H]2CC(=NNC3CC3)CC[N@H+]2C2CC2)cc1 ZINC000841631291 618704768 /nfs/dbraw/zinc/70/47/68/618704768.db2.gz FMALGHZNOAMVSB-QGZVFWFLSA-N 1 1 269.392 3.094 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCCC[C@@H]1C ZINC001018331969 618894927 /nfs/dbraw/zinc/89/49/27/618894927.db2.gz AIUQDUBWDKDZTC-VVLHAWIVSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCCC[C@@H]1C ZINC001018331969 618894930 /nfs/dbraw/zinc/89/49/30/618894930.db2.gz AIUQDUBWDKDZTC-VVLHAWIVSA-N 1 1 290.451 3.064 20 30 CGEDMO C#CCOc1ccccc1C[NH2+]Cc1ccc(C)c(C)n1 ZINC000314220228 618962157 /nfs/dbraw/zinc/96/21/57/618962157.db2.gz UUFYFGWPFXUFHZ-UHFFFAOYSA-N 1 1 280.371 3.000 20 30 CGEDMO Cc1cc(C#N)nc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1 ZINC000893009027 618976477 /nfs/dbraw/zinc/97/64/77/618976477.db2.gz OTJQYOQUNRDOMU-FUHWJXTLSA-N 1 1 292.386 3.119 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2sccc2C)C1 ZINC001006601948 619022226 /nfs/dbraw/zinc/02/22/26/619022226.db2.gz JVFBEBHVJBOORM-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO CC1(C)C[C@@H](O)CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000930649771 619045880 /nfs/dbraw/zinc/04/58/80/619045880.db2.gz DNFSKOKSZJSZGA-HNNXBMFYSA-N 1 1 278.440 3.333 20 30 CGEDMO C#C[C@H]([NH2+]Cc1ccc(Cl)cc1Cl)[C@H]1CCCO1 ZINC000775341714 619068918 /nfs/dbraw/zinc/06/89/18/619068918.db2.gz NYECVWPDIMTVLP-UONOGXRCSA-N 1 1 284.186 3.264 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001009152354 619168021 /nfs/dbraw/zinc/16/80/21/619168021.db2.gz KFNAAXDDADJXDK-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001009672770 619185231 /nfs/dbraw/zinc/18/52/31/619185231.db2.gz NRGITDKSSBBNLF-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001006745222 619214384 /nfs/dbraw/zinc/21/43/84/619214384.db2.gz LTSCIBWKFZIAHR-GFCCVEGCSA-N 1 1 296.798 3.093 20 30 CGEDMO CC1(C)[C@@H](c2ccccc2Cl)CC[N@H+]1C[C@H](O)CC#N ZINC000931688088 619233372 /nfs/dbraw/zinc/23/33/72/619233372.db2.gz CLNXJWONVOCFBZ-TZMCWYRMSA-N 1 1 292.810 3.182 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)o2)C1 ZINC000931713688 619242255 /nfs/dbraw/zinc/24/22/55/619242255.db2.gz ACFXUMCJAUEJCX-AWEZNQCLSA-N 1 1 266.344 3.187 20 30 CGEDMO Cc1nc([C@@H]2CC[N@@H+](CCCCC3(C#N)CCC3)C2)no1 ZINC000931935853 619284635 /nfs/dbraw/zinc/28/46/35/619284635.db2.gz IZVKOHBDACZBAO-CQSZACIVSA-N 1 1 288.395 3.032 20 30 CGEDMO Cc1ccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1C#N ZINC000925842450 619291232 /nfs/dbraw/zinc/29/12/32/619291232.db2.gz XCWYYXVHQSKQTC-CEXWTWQISA-N 1 1 297.446 3.267 20 30 CGEDMO CC(C)CCC(N)=[NH+]OCc1noc(-c2cccs2)n1 ZINC000067099045 619372750 /nfs/dbraw/zinc/37/27/50/619372750.db2.gz PVVGMENCDAPFPJ-UHFFFAOYSA-N 1 1 294.380 3.023 20 30 CGEDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NCc1cccc(C#N)c1 ZINC000067251553 619401780 /nfs/dbraw/zinc/40/17/80/619401780.db2.gz NRLJECYLNVCUMM-OWCLPIDISA-N 1 1 285.435 3.014 20 30 CGEDMO C[C@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]Cc1cccc(C#N)c1 ZINC000067251553 619401784 /nfs/dbraw/zinc/40/17/84/619401784.db2.gz NRLJECYLNVCUMM-OWCLPIDISA-N 1 1 285.435 3.014 20 30 CGEDMO C=CC[C@@H](C)[N@@H+](C)C[C@H](O)c1ccccc1Br ZINC000878692378 619444908 /nfs/dbraw/zinc/44/49/08/619444908.db2.gz YHNWVWCGODUMDP-RISCZKNCSA-N 1 1 298.224 3.379 20 30 CGEDMO CSC[C@@H]1CCC[N@@H+](Cc2csc(C#N)c2)C1 ZINC000894598695 619587224 /nfs/dbraw/zinc/58/72/24/619587224.db2.gz GRGMZYMKKAAXSB-LLVKDONJSA-N 1 1 266.435 3.195 20 30 CGEDMO CC(C)(C)c1nc(CO[NH+]=C(N)C2CCCCCC2)no1 ZINC000179003921 619734241 /nfs/dbraw/zinc/73/42/41/619734241.db2.gz XNLFSCRUFIXJMF-UHFFFAOYSA-N 1 1 294.399 3.126 20 30 CGEDMO Cc1ncc(CO[NH+]=C(N)C2CCCCCC2)s1 ZINC000179004414 619734543 /nfs/dbraw/zinc/73/45/43/619734543.db2.gz KADXEJLIMJAUDL-UHFFFAOYSA-N 1 1 267.398 3.211 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](Cc2cc3c(cccc3O)s2)C1 ZINC000895334463 619806533 /nfs/dbraw/zinc/80/65/33/619806533.db2.gz INCGSPLEDLNIFF-OAHLLOKOSA-N 1 1 272.373 3.342 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](Cc2cc3c(cccc3O)s2)C1 ZINC000895334463 619806537 /nfs/dbraw/zinc/80/65/37/619806537.db2.gz INCGSPLEDLNIFF-OAHLLOKOSA-N 1 1 272.373 3.342 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CC[C@H](c2nccs2)C1 ZINC000895583136 619854081 /nfs/dbraw/zinc/85/40/81/619854081.db2.gz KXQCSHGMHNUWNI-HNNXBMFYSA-N 1 1 298.411 3.145 20 30 CGEDMO COC1(OC)CC2(C[N@@H+](C[C@H](C)CCC#N)[C@@H]2C(C)C)C1 ZINC000895990101 619920649 /nfs/dbraw/zinc/92/06/49/619920649.db2.gz RUEUNRRNMZXTEO-HUUCEWRRSA-N 1 1 294.439 3.036 20 30 CGEDMO N#Cc1cc(C[N@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)cs1 ZINC000896226992 619969694 /nfs/dbraw/zinc/96/96/94/619969694.db2.gz JUYPWGKGGFQNFN-WBVHZDCISA-N 1 1 280.396 3.393 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)C2CCCCC2)CC1 ZINC000985221660 620140586 /nfs/dbraw/zinc/14/05/86/620140586.db2.gz DEBRFSHNHWNGCM-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)c2cc(C)cs2)CC1 ZINC000985416574 620181877 /nfs/dbraw/zinc/18/18/77/620181877.db2.gz FTVQFYYPDLANCF-UHFFFAOYSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000305777632 620205177 /nfs/dbraw/zinc/20/51/77/620205177.db2.gz PXDFPZLKOZTBHV-ARFHVFGLSA-N 1 1 293.407 3.149 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@]2(C)CCC[C@@H]2C)CC1 ZINC000985632437 620223233 /nfs/dbraw/zinc/22/32/33/620223233.db2.gz NHWPUPCGUZPLQK-YJBOKZPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)C2(C)CC(=C)C2)CC1 ZINC000985632515 620223324 /nfs/dbraw/zinc/22/33/24/620223324.db2.gz SHKPXMVXZHURNN-UHFFFAOYSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CC[NH+](CC=C)[C@@H](CNCc1ccc(F)nc1)C(C)C ZINC000188987269 620292461 /nfs/dbraw/zinc/29/24/61/620292461.db2.gz NTJFDPQKMREGCO-INIZCTEOSA-N 1 1 291.414 3.009 20 30 CGEDMO Cc1cccc(C)c1C[N@@H+](C)Cc1cccc(C#N)n1 ZINC000897624181 620411905 /nfs/dbraw/zinc/41/19/05/620411905.db2.gz ANYCVFCGLAZQFT-UHFFFAOYSA-N 1 1 265.360 3.202 20 30 CGEDMO Cc1cc(C)c(C[NH2+]Cc2nc(C#N)cs2)cc1C ZINC000897633158 620414563 /nfs/dbraw/zinc/41/45/63/620414563.db2.gz WIGJSSYRYSFAGB-UHFFFAOYSA-N 1 1 271.389 3.230 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)C2(C)C(C)(C)C2(C)C)CC1 ZINC000989806331 620525597 /nfs/dbraw/zinc/52/55/97/620525597.db2.gz DPBOUOAZEHDPON-UHFFFAOYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H](C)C3CC3)CCC[C@H]12 ZINC000990152780 620537667 /nfs/dbraw/zinc/53/76/67/620537667.db2.gz XNHCXNMLIPVZEM-QILLFSRXSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)C(F)=C3CCCC3)CCC[C@@H]12 ZINC000990224732 620539579 /nfs/dbraw/zinc/53/95/79/620539579.db2.gz SYTXTCPJEUBWKH-PBHICJAKSA-N 1 1 292.398 3.083 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)C3=CCCCCC3)CCC[C@@H]12 ZINC000990415275 620544559 /nfs/dbraw/zinc/54/45/59/620544559.db2.gz GSQCBDYCWMTXMS-SJLPKXTDSA-N 1 1 288.435 3.176 20 30 CGEDMO COC(=O)c1coc([C@H](C)[NH2+]Cc2ccc(C)c(C#N)c2)c1 ZINC000926959218 620555376 /nfs/dbraw/zinc/55/53/76/620555376.db2.gz ADCJQEYVMNFGKK-LBPRGKRZSA-N 1 1 298.342 3.097 20 30 CGEDMO FC1(F)CCC(NN=C2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000901341087 620857620 /nfs/dbraw/zinc/85/76/20/620857620.db2.gz VMCNPSYJCHALBY-CQSZACIVSA-N 1 1 285.382 3.158 20 30 CGEDMO CCCC(N)=[NH+]OCc1cc(Cl)cc(C#N)c1 ZINC000902245140 621218366 /nfs/dbraw/zinc/21/83/66/621218366.db2.gz GRBXROPOMUCDQW-UHFFFAOYSA-N 1 1 251.717 3.010 20 30 CGEDMO CC[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(C#N)c1 ZINC000902747945 621423987 /nfs/dbraw/zinc/42/39/87/621423987.db2.gz JHMTUXRVZYAIEE-KSZLIROESA-N 1 1 283.419 3.226 20 30 CGEDMO CC[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)c1cccc(C#N)c1 ZINC000902747945 621423995 /nfs/dbraw/zinc/42/39/95/621423995.db2.gz JHMTUXRVZYAIEE-KSZLIROESA-N 1 1 283.419 3.226 20 30 CGEDMO CC[C@H](N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(C#N)c1 ZINC000902753582 621425885 /nfs/dbraw/zinc/42/58/85/621425885.db2.gz QLICAXSXARVVTG-KSZLIROESA-N 1 1 283.419 3.226 20 30 CGEDMO CC[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(C#N)c1 ZINC000902753582 621425890 /nfs/dbraw/zinc/42/58/90/621425890.db2.gz QLICAXSXARVVTG-KSZLIROESA-N 1 1 283.419 3.226 20 30 CGEDMO C=CC[C@H]([NH2+][C@@H](C)c1cn(CCC)nn1)c1ccncc1 ZINC000902807353 621444604 /nfs/dbraw/zinc/44/46/04/621444604.db2.gz YFHWKZOPEDVDJC-ZFWWWQNUSA-N 1 1 285.395 3.051 20 30 CGEDMO CCc1cc(C[NH2+][C@@H](CC)c2cccc(C#N)c2)on1 ZINC000902816293 621462816 /nfs/dbraw/zinc/46/28/16/621462816.db2.gz NTXFCLZKNUQHJT-INIZCTEOSA-N 1 1 269.348 3.350 20 30 CGEDMO C[C@@H]([NH2+][C@@H]1CCOc2ccc(F)cc21)c1cc(C#N)ccn1 ZINC000902860065 621478788 /nfs/dbraw/zinc/47/87/88/621478788.db2.gz OCUKMVIUHKIZSA-IAQYHMDHSA-N 1 1 297.333 3.267 20 30 CGEDMO CCSc1cc(C[NH2+][C@@H](C)c2cc(C#N)ccn2)ccn1 ZINC000902963376 621508481 /nfs/dbraw/zinc/50/84/81/621508481.db2.gz PKTVNGDLKPZWKR-LBPRGKRZSA-N 1 1 298.415 3.311 20 30 CGEDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(C)(C)C#N ZINC000903100245 621572709 /nfs/dbraw/zinc/57/27/09/621572709.db2.gz LEVYJCLIZJUSFX-LLVKDONJSA-N 1 1 261.325 3.104 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1cccc(C(F)(F)F)c1O ZINC000903105648 621578086 /nfs/dbraw/zinc/57/80/86/621578086.db2.gz GQUAFPJSKQXSDR-SECBINFHSA-N 1 1 284.281 3.365 20 30 CGEDMO N#CC1(C[NH2+][C@H](c2ccccc2F)C2CCOCC2)CC1 ZINC000903220807 621633905 /nfs/dbraw/zinc/63/39/05/621633905.db2.gz OKRYVLYBOGTYHV-INIZCTEOSA-N 1 1 288.366 3.187 20 30 CGEDMO CCc1ccc([C@@H](C)[NH2+]Cc2nc(C#N)cs2)s1 ZINC000903270008 621656939 /nfs/dbraw/zinc/65/69/39/621656939.db2.gz UDPCXMDGKAHQCY-SECBINFHSA-N 1 1 277.418 3.489 20 30 CGEDMO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](CCN(C)C)c1cccnc1 ZINC000903382758 621724088 /nfs/dbraw/zinc/72/40/88/621724088.db2.gz HRWSWBGGYMREET-ZOBUZTSGSA-N 1 1 275.440 3.265 20 30 CGEDMO C=CCC(C)(C)c1noc([C@H]([NH3+])C[C@H](C)CC)n1 ZINC000904725562 621959610 /nfs/dbraw/zinc/95/96/10/621959610.db2.gz ZRZGRQDSRDELEY-GHMZBOCLSA-N 1 1 251.374 3.359 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccc(C)c(C)n2)no1 ZINC000904736721 621968615 /nfs/dbraw/zinc/96/86/15/621968615.db2.gz SMCMUHFOKJDBIO-GFCCVEGCSA-N 1 1 272.352 3.105 20 30 CGEDMO C=CCCCC(=O)OCC[N@H+](C)Cc1ccc(F)cc1 ZINC000769117579 625559890 /nfs/dbraw/zinc/55/98/90/625559890.db2.gz RIOLWUWJSKAECE-UHFFFAOYSA-N 1 1 279.355 3.157 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910779147 622505353 /nfs/dbraw/zinc/50/53/53/622505353.db2.gz YGROUQKLQMMPFC-UHFFFAOYSA-N 1 1 298.430 3.076 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910779147 622505356 /nfs/dbraw/zinc/50/53/56/622505356.db2.gz YGROUQKLQMMPFC-UHFFFAOYSA-N 1 1 298.430 3.076 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cccc(OCC(F)(F)F)c1 ZINC000769960265 625580411 /nfs/dbraw/zinc/58/04/11/625580411.db2.gz ADDKUZIQTRJYJM-LLVKDONJSA-N 1 1 271.282 3.081 20 30 CGEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1cccnc1Cl ZINC000150883796 622690414 /nfs/dbraw/zinc/69/04/14/622690414.db2.gz CBFGNVRKFHHEAV-UHFFFAOYSA-N 1 1 295.814 3.352 20 30 CGEDMO C=C1CCC(C(=O)N2CC[NH2+][C@H](c3ccccc3C)C2)CC1 ZINC000913478660 622778520 /nfs/dbraw/zinc/77/85/20/622778520.db2.gz NCLLQBXPEBZKEE-SFHVURJKSA-N 1 1 298.430 3.214 20 30 CGEDMO C=CCc1cc(C[N@H+](CC)C[C@@H](C)C#N)c(O)c(OC)c1 ZINC000164224920 622821127 /nfs/dbraw/zinc/82/11/27/622821127.db2.gz FBBHRIBXZDAEQM-ZDUSSCGKSA-N 1 1 288.391 3.111 20 30 CGEDMO C=CCc1cc(C[N@@H+](CC)C[C@@H](C)C#N)c(O)c(OC)c1 ZINC000164224920 622821129 /nfs/dbraw/zinc/82/11/29/622821129.db2.gz FBBHRIBXZDAEQM-ZDUSSCGKSA-N 1 1 288.391 3.111 20 30 CGEDMO Cc1ccc(NCc2ccc(O[C@@H](C)C#N)cc2)[nH+]c1 ZINC000157451849 622907159 /nfs/dbraw/zinc/90/71/59/622907159.db2.gz JYKRMMXRAHYMMZ-ZDUSSCGKSA-N 1 1 267.332 3.293 20 30 CGEDMO C=C(Br)C[NH2+]Cc1cccc2c1NCCC2 ZINC000168210445 622997049 /nfs/dbraw/zinc/99/70/49/622997049.db2.gz DASFFXSDPQTMLK-UHFFFAOYSA-N 1 1 281.197 3.043 20 30 CGEDMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1cncc(C#N)c1 ZINC000929676281 623504700 /nfs/dbraw/zinc/50/47/00/623504700.db2.gz MZPBESAZWPUPRP-CXAGYDPISA-N 1 1 295.361 3.470 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@H](C)c3ccccc3)CCC[C@H]12 ZINC000992438949 623562719 /nfs/dbraw/zinc/56/27/19/623562719.db2.gz MQVLUYWMXZJLSQ-HHXXYDBFSA-N 1 1 298.430 3.089 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2occc2C)[C@H]1C ZINC000993041794 623802020 /nfs/dbraw/zinc/80/20/20/623802020.db2.gz UAYRYONGGIRETL-CABCVRRESA-N 1 1 290.407 3.137 20 30 CGEDMO Cc1[nH+]c(CN=Nc2ccc(F)cc2F)c2ccccn12 ZINC000914601418 623835376 /nfs/dbraw/zinc/83/53/76/623835376.db2.gz PANDOKJYHFEBGX-UHFFFAOYSA-N 1 1 286.285 3.367 20 30 CGEDMO Cc1[nH+]c(C=NNc2ccc(F)cc2F)c2ccccn12 ZINC000914601418 623835383 /nfs/dbraw/zinc/83/53/83/623835383.db2.gz PANDOKJYHFEBGX-UHFFFAOYSA-N 1 1 286.285 3.367 20 30 CGEDMO Cc1[nH+]c(C=NOCc2ccccc2)c2ccccn12 ZINC000914599615 623835393 /nfs/dbraw/zinc/83/53/93/623835393.db2.gz KCWMUUYOCXUSAW-UHFFFAOYSA-N 1 1 265.316 3.193 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)CC2=CCCCC2)[C@H]1C ZINC000993164217 623886414 /nfs/dbraw/zinc/88/64/14/623886414.db2.gz ZMOPLVFIZSNLJM-WBVHZDCISA-N 1 1 290.451 3.422 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CCC[N@@H+](CCCF)[C@@H]2C)CC1 ZINC000993737830 624059951 /nfs/dbraw/zinc/05/99/51/624059951.db2.gz BRKXGIDLSGMXLT-ZBFHGGJFSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2c(C)cccc2C)[C@H]1C ZINC000993848671 624065963 /nfs/dbraw/zinc/06/59/63/624065963.db2.gz SFETWGFSOMPFIL-CVEARBPZSA-N 1 1 286.419 3.072 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2csc(C)c2)[C@H]1C ZINC000994014575 624067450 /nfs/dbraw/zinc/06/74/50/624067450.db2.gz ZTDAWYGIVNETJY-HIFRSBDPSA-N 1 1 292.448 3.215 20 30 CGEDMO CN(C)c1ccc(C=[NH+]Nc2ccc(C#N)cc2)cc1 ZINC000915963198 624091337 /nfs/dbraw/zinc/09/13/37/624091337.db2.gz VJQHLFAIHCAASZ-UHFFFAOYSA-N 1 1 264.332 3.070 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)cc2)[C@@H]1C ZINC000994256720 624158377 /nfs/dbraw/zinc/15/83/77/624158377.db2.gz DGFOQXLEWMOCSV-SWLSCSKDSA-N 1 1 292.810 3.109 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C)cc2C)[C@H]1C ZINC000994344692 624205038 /nfs/dbraw/zinc/20/50/38/624205038.db2.gz CUTDHWVRIVGHNW-WBVHZDCISA-N 1 1 286.419 3.072 20 30 CGEDMO NC(Cc1ccccc1)=[NH+]OCCCCC(F)(F)F ZINC000154250867 624228394 /nfs/dbraw/zinc/22/83/94/624228394.db2.gz QEXFCXGBHFUHSO-UHFFFAOYSA-N 1 1 274.286 3.251 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1c(C)cc(C)cc1C)C(C)C ZINC000917167039 624248760 /nfs/dbraw/zinc/24/87/60/624248760.db2.gz PWCOBNCDALWXPF-UHFFFAOYSA-N 1 1 274.408 3.447 20 30 CGEDMO CCCCCCCCC[N@@H+](C)[C@@H](C)C(=O)N(C)C ZINC000918778192 624374516 /nfs/dbraw/zinc/37/45/16/624374516.db2.gz FOQHOMLVXOMWCW-AWEZNQCLSA-N 1 1 256.434 3.146 20 30 CGEDMO C#CCC[N@H+](Cc1ccc(OC(F)F)c(OC)c1)C1CC1 ZINC000920415746 624491258 /nfs/dbraw/zinc/49/12/58/624491258.db2.gz HTFFNVWNRCUTCC-UHFFFAOYSA-N 1 1 295.329 3.284 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CCn3cccc3[C@@H]2C)cc1 ZINC000179567042 624665891 /nfs/dbraw/zinc/66/58/91/624665891.db2.gz PUCPLRIRXAOORO-INIZCTEOSA-N 1 1 294.398 3.467 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CCn3cccc3[C@@H]2C)cc1 ZINC000179567042 624665892 /nfs/dbraw/zinc/66/58/92/624665892.db2.gz PUCPLRIRXAOORO-INIZCTEOSA-N 1 1 294.398 3.467 20 30 CGEDMO C=C(C)C[N@H+](C)Cn1cc(-c2ccc(C)cc2)cn1 ZINC000182615339 625020668 /nfs/dbraw/zinc/02/06/68/625020668.db2.gz IQXOXOAZVFBLBN-UHFFFAOYSA-N 1 1 255.365 3.324 20 30 CGEDMO C=C(C)C[N@@H+](C)Cn1cc(-c2ccc(C)cc2)cn1 ZINC000182615339 625020669 /nfs/dbraw/zinc/02/06/69/625020669.db2.gz IQXOXOAZVFBLBN-UHFFFAOYSA-N 1 1 255.365 3.324 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)CCc2ccncc2)cc1 ZINC000183759397 625126190 /nfs/dbraw/zinc/12/61/90/625126190.db2.gz IUQQDOFBHOQSBQ-OAHLLOKOSA-N 1 1 295.386 3.047 20 30 CGEDMO Cc1cc(C[NH2+]C[C@H](C)C#N)cc(C)c1OC(F)F ZINC000183840083 625149413 /nfs/dbraw/zinc/14/94/13/625149413.db2.gz OVJACUARPYRPTB-SECBINFHSA-N 1 1 268.307 3.154 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC=CCC2)CC1 ZINC000997917514 625769600 /nfs/dbraw/zinc/76/96/00/625769600.db2.gz WOPBYESRAUDWOP-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2ccccc2)CC1 ZINC000997929841 625775130 /nfs/dbraw/zinc/77/51/30/625775130.db2.gz SQEWBHGSHLDURG-QGZVFWFLSA-N 1 1 286.419 3.189 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC23CC3)CC1 ZINC000998144355 625792240 /nfs/dbraw/zinc/79/22/40/625792240.db2.gz RFUOQKDABJPBFC-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)CC2=CCCCC2)CC1 ZINC001002465244 625932160 /nfs/dbraw/zinc/93/21/60/625932160.db2.gz JGTFMIIQBIQSOF-UHFFFAOYSA-N 1 1 296.842 3.210 20 30 CGEDMO C[C@H](C[N@H+](C)Cc1ccccc1)NCc1csc(C#N)c1 ZINC000921969626 625948630 /nfs/dbraw/zinc/94/86/30/625948630.db2.gz MRJCKMDGWRSMTG-CQSZACIVSA-N 1 1 299.443 3.230 20 30 CGEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NCc1csc(C#N)c1 ZINC000921969626 625948638 /nfs/dbraw/zinc/94/86/38/625948638.db2.gz MRJCKMDGWRSMTG-CQSZACIVSA-N 1 1 299.443 3.230 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)C(C)(C)C2CCC2)CC1 ZINC001003379074 625977092 /nfs/dbraw/zinc/97/70/92/625977092.db2.gz GZLKRVJANTZYOF-UHFFFAOYSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CCCC[C@@H]2C)CC1 ZINC001003521404 625982309 /nfs/dbraw/zinc/98/23/09/625982309.db2.gz BDFMRCSNMPKLEE-WFASDCNBSA-N 1 1 298.858 3.146 20 30 CGEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)OCC1CCC(C#N)CC1 ZINC000922727156 626037905 /nfs/dbraw/zinc/03/79/05/626037905.db2.gz NIPBKCOTHFLMIA-UYSNPLJNSA-N 1 1 292.423 3.124 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2CC[C@H](C)C2)CC1 ZINC001006083784 626154753 /nfs/dbraw/zinc/15/47/53/626154753.db2.gz SQFFYYWYBSOHMC-JSGCOSHPSA-N 1 1 298.858 3.098 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[NH+]2CC(CC(F)(F)F)C2)cc1 ZINC000839137993 626322708 /nfs/dbraw/zinc/32/27/08/626322708.db2.gz KNWOMEDFEHROPF-LLVKDONJSA-N 1 1 298.308 3.362 20 30 CGEDMO C=C(Cl)C[N@@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000839530263 626364920 /nfs/dbraw/zinc/36/49/20/626364920.db2.gz PDMZJWDFOYFDFB-OAHLLOKOSA-N 1 1 265.784 3.012 20 30 CGEDMO CCCCCCCC[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000752063261 626416956 /nfs/dbraw/zinc/41/69/56/626416956.db2.gz MRZXNQGEXJFMPX-INIZCTEOSA-N 1 1 278.444 3.351 20 30 CGEDMO CCCCCCCCC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000753710906 626463079 /nfs/dbraw/zinc/46/30/79/626463079.db2.gz ZVIQWMDZJAFDCV-GJZGRUSLSA-N 1 1 280.456 3.478 20 30 CGEDMO C[C@H]1CC(N=Nc2cc(F)c(F)cc2F)C[N@H+]1C1CC1 ZINC000753959203 626469979 /nfs/dbraw/zinc/46/99/79/626469979.db2.gz FRCVTDZLDMKPLS-QMMMGPOBSA-N 1 1 283.297 3.128 20 30 CGEDMO C=CC[N@@H+](CC1CCCCC1)CN1C[C@@H](CC)CC1=O ZINC000755921507 626660617 /nfs/dbraw/zinc/66/06/17/626660617.db2.gz IBGRJBUVCARUBA-HNNXBMFYSA-N 1 1 278.440 3.271 20 30 CGEDMO CCCCCCCCC(=O)N1[C@H](C)C[N@H+](C)C[C@@H]1C ZINC000756150250 626680953 /nfs/dbraw/zinc/68/09/53/626680953.db2.gz PFFLFKWEXBXQRO-GASCZTMLSA-N 1 1 268.445 3.288 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)CC/C=C/c1ccccc1 ZINC000756552872 626714730 /nfs/dbraw/zinc/71/47/30/626714730.db2.gz LNXMIVMXGOWQRB-PMQIGOLDSA-N 1 1 297.398 3.121 20 30 CGEDMO C#CC[N@H+](CC(=O)N(CC)C1CCCCC1)C1CCCC1 ZINC000756911403 626741128 /nfs/dbraw/zinc/74/11/28/626741128.db2.gz NORMZUHBDKFJHF-UHFFFAOYSA-N 1 1 290.451 3.045 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)[C@H](C)c1ccc(C(=O)OC)o1 ZINC000839602010 626764772 /nfs/dbraw/zinc/76/47/72/626764772.db2.gz PUQODSPTIQZMND-CQSZACIVSA-N 1 1 297.354 3.263 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)[C@H](C)c1ccc(C(=O)OC)o1 ZINC000839602010 626764773 /nfs/dbraw/zinc/76/47/73/626764773.db2.gz PUQODSPTIQZMND-CQSZACIVSA-N 1 1 297.354 3.263 20 30 CGEDMO C=C(Cl)C[N@H+](C[C@H](C)c1ccccc1)[C@@H](C)CO ZINC000839604826 626765128 /nfs/dbraw/zinc/76/51/28/626765128.db2.gz PNCVODQJVUHZHM-JSGCOSHPSA-N 1 1 267.800 3.225 20 30 CGEDMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000839661221 626772658 /nfs/dbraw/zinc/77/26/58/626772658.db2.gz UIGSEIBLZWFHLF-CYBMUJFWSA-N 1 1 258.365 3.209 20 30 CGEDMO CC(C)[N@@H+]1CC(=NOCc2ccc(F)cc2)[C@H](C)C1 ZINC000758143881 626830990 /nfs/dbraw/zinc/83/09/90/626830990.db2.gz XIFVZDHSELTAPD-GFCCVEGCSA-N 1 1 264.344 3.058 20 30 CGEDMO CC(=NOCC(F)F)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000758899375 626864573 /nfs/dbraw/zinc/86/45/73/626864573.db2.gz IZMXOAOAAWZUDW-UHFFFAOYSA-N 1 1 279.290 3.186 20 30 CGEDMO CC(C)C[N@H+](CCC#N)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759043083 626871527 /nfs/dbraw/zinc/87/15/27/626871527.db2.gz CLEMBAXKWXCQQW-OAHLLOKOSA-N 1 1 298.789 3.384 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759043083 626871531 /nfs/dbraw/zinc/87/15/31/626871531.db2.gz CLEMBAXKWXCQQW-OAHLLOKOSA-N 1 1 298.789 3.384 20 30 CGEDMO C#CCOCC[N@@H+](C)[C@@H](C)c1ccccc1Br ZINC000761109204 627017313 /nfs/dbraw/zinc/01/73/13/627017313.db2.gz OLHBZNXZRIFNLW-LBPRGKRZSA-N 1 1 296.208 3.092 20 30 CGEDMO C#CCOCC[N@H+](C)[C@@H](C)c1ccccc1Br ZINC000761109204 627017315 /nfs/dbraw/zinc/01/73/15/627017315.db2.gz OLHBZNXZRIFNLW-LBPRGKRZSA-N 1 1 296.208 3.092 20 30 CGEDMO C#CCOCC[N@H+](C)C1c2ccccc2-c2ccccc21 ZINC000761114768 627017729 /nfs/dbraw/zinc/01/77/29/627017729.db2.gz PAWWMGXOPDLSEZ-UHFFFAOYSA-N 1 1 277.367 3.338 20 30 CGEDMO COc1cc(Cl)cc(C[N@H+](CCC#N)C(C)C)c1O ZINC000761192495 627024247 /nfs/dbraw/zinc/02/42/47/627024247.db2.gz OPVFJLZSMWKMCR-UHFFFAOYSA-N 1 1 282.771 3.178 20 30 CGEDMO COc1cc(Cl)cc(C[N@@H+](CCC#N)C(C)C)c1O ZINC000761192495 627024252 /nfs/dbraw/zinc/02/42/52/627024252.db2.gz OPVFJLZSMWKMCR-UHFFFAOYSA-N 1 1 282.771 3.178 20 30 CGEDMO COCC#CC[N@@H+]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000762919126 627132262 /nfs/dbraw/zinc/13/22/62/627132262.db2.gz SMTKHRJJYFPDOI-OAHLLOKOSA-N 1 1 297.320 3.492 20 30 CGEDMO COCC#CC[N@H+]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000762919126 627132265 /nfs/dbraw/zinc/13/22/65/627132265.db2.gz SMTKHRJJYFPDOI-OAHLLOKOSA-N 1 1 297.320 3.492 20 30 CGEDMO C#CC[N@@H+](CCCc1ccncc1)C1CCCCC1 ZINC000764953163 627234014 /nfs/dbraw/zinc/23/40/14/627234014.db2.gz FPGGONDRNPZTBF-UHFFFAOYSA-N 1 1 256.393 3.282 20 30 CGEDMO CCCCCCCC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000765193206 627242266 /nfs/dbraw/zinc/24/22/66/627242266.db2.gz MGRUJOJZFMMRBU-INIZCTEOSA-N 1 1 280.456 3.480 20 30 CGEDMO C#CCCC[N@@H+]1CCc2c(Br)cccc2C1 ZINC000766895467 627367610 /nfs/dbraw/zinc/36/76/10/627367610.db2.gz KFEPFQQSDGZFHO-UHFFFAOYSA-N 1 1 278.193 3.221 20 30 CGEDMO C#CCCC[N@H+](CCC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000766896149 627368313 /nfs/dbraw/zinc/36/83/13/627368313.db2.gz QJZFLMJSYBCMAL-OAHLLOKOSA-N 1 1 294.439 3.121 20 30 CGEDMO C#CCCC[N@@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC000766904316 627369205 /nfs/dbraw/zinc/36/92/05/627369205.db2.gz DYQVZFUPVXJMGW-UHFFFAOYSA-N 1 1 271.404 3.207 20 30 CGEDMO C#CCCC[N@H+](C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC000766905926 627369487 /nfs/dbraw/zinc/36/94/87/627369487.db2.gz NEZNLLJISVMLMG-HNNXBMFYSA-N 1 1 296.455 3.271 20 30 CGEDMO N#CC1(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000767120299 627383672 /nfs/dbraw/zinc/38/36/72/627383672.db2.gz RNIXNTFRXCLOSV-HZPDHXFCSA-N 1 1 288.366 3.017 20 30 CGEDMO C=CC[N@H+](Cc1ccc(O[C@H](C)C(=O)OC)cc1)C(C)C ZINC000768552746 627486697 /nfs/dbraw/zinc/48/66/97/627486697.db2.gz YVJDIAPYPFGRNQ-CQSZACIVSA-N 1 1 291.391 3.023 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCOc3ccccc3C2)cc1 ZINC000768940525 627510863 /nfs/dbraw/zinc/51/08/63/627510863.db2.gz LHRIGRUICIRPRW-UHFFFAOYSA-N 1 1 293.366 3.093 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCOc3ccccc3C2)cc1 ZINC000768940525 627510866 /nfs/dbraw/zinc/51/08/66/627510866.db2.gz LHRIGRUICIRPRW-UHFFFAOYSA-N 1 1 293.366 3.093 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccccc1OC1CCCC1 ZINC000769106133 627522507 /nfs/dbraw/zinc/52/25/07/627522507.db2.gz QGIWTNPIVDLCJE-UHFFFAOYSA-N 1 1 257.377 3.463 20 30 CGEDMO C#CC[N@H+](CC)Cc1cc(Cl)c(OCC)c(OC)c1 ZINC000769105678 627522655 /nfs/dbraw/zinc/52/26/55/627522655.db2.gz OAHUNXVFVKVDSJ-UHFFFAOYSA-N 1 1 281.783 3.202 20 30 CGEDMO CC[N@@H+](Cc1ccc(O[C@@H](C)C#N)cc1)C1CCC1 ZINC000769467332 627556479 /nfs/dbraw/zinc/55/64/79/627556479.db2.gz UKVZMQQFOCIIKS-ZDUSSCGKSA-N 1 1 258.365 3.352 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CC[C@H](C3CC3)C2)cc1 ZINC000769513584 627561784 /nfs/dbraw/zinc/56/17/84/627561784.db2.gz CDOPVPLGJLCBAW-KRWDZBQOSA-N 1 1 269.388 3.321 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C[C@H](C)C#N)C2CC2)cc1 ZINC000769545249 627564543 /nfs/dbraw/zinc/56/45/43/627564543.db2.gz NDEKEMKTTNHXPA-ZIAGYGMSSA-N 1 1 283.375 3.102 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+](C[C@H](C)C#N)C2CC2)cc1 ZINC000769545249 627564545 /nfs/dbraw/zinc/56/45/45/627564545.db2.gz NDEKEMKTTNHXPA-ZIAGYGMSSA-N 1 1 283.375 3.102 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+](C)Cc2ccc[nH]2)cc1 ZINC000769543966 627564572 /nfs/dbraw/zinc/56/45/72/627564572.db2.gz QLKIGNWFEOASPV-UHFFFAOYSA-N 1 1 268.360 3.049 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@H]2C)cc1 ZINC000770282063 627611204 /nfs/dbraw/zinc/61/12/04/627611204.db2.gz CTJOEAQYGBQSPL-HUUCEWRRSA-N 1 1 257.377 3.319 20 30 CGEDMO CC(C)[C@@H]1CC[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000770307244 627612705 /nfs/dbraw/zinc/61/27/05/627612705.db2.gz QTRAQMXAXYIGAD-GOEBONIOSA-N 1 1 272.392 3.455 20 30 CGEDMO C=C(C)CO[NH+]=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000771653686 627725148 /nfs/dbraw/zinc/72/51/48/627725148.db2.gz KTLPZWNKSXFXTK-UHFFFAOYSA-N 1 1 289.335 3.122 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1ccc2ccccc2c1)C1CC1 ZINC000772380179 627788769 /nfs/dbraw/zinc/78/87/69/627788769.db2.gz DIXMYJRBTAYVPZ-UHFFFAOYSA-N 1 1 280.371 3.429 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1ccc2ccccc2c1)C1CC1 ZINC000772380179 627788771 /nfs/dbraw/zinc/78/87/71/627788771.db2.gz DIXMYJRBTAYVPZ-UHFFFAOYSA-N 1 1 280.371 3.429 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000773425545 627882718 /nfs/dbraw/zinc/88/27/18/627882718.db2.gz UFGJCXKYUFEKPS-CABCVRRESA-N 1 1 294.439 3.426 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000775136876 628066866 /nfs/dbraw/zinc/06/68/66/628066866.db2.gz NXUDBYFNCZZZNJ-CYBMUJFWSA-N 1 1 297.320 3.473 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)cc1 ZINC000775134705 628067135 /nfs/dbraw/zinc/06/71/35/628067135.db2.gz DKVVFFNNYVTMJD-CQSZACIVSA-N 1 1 297.320 3.473 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000775179718 628069673 /nfs/dbraw/zinc/06/96/73/628069673.db2.gz PDCASPWPEWINHK-ZDUSSCGKSA-N 1 1 293.370 3.287 20 30 CGEDMO CCCCCCCCC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000874847291 634631295 /nfs/dbraw/zinc/63/12/95/634631295.db2.gz NVPHCKKUDRHAMA-HOTGVXAUSA-N 1 1 280.456 3.432 20 30 CGEDMO C#C[C@H]([NH2+][C@H](CC)c1ccc(F)cc1F)[C@@H]1CCCO1 ZINC000775571197 628107803 /nfs/dbraw/zinc/10/78/03/628107803.db2.gz CEXWSUYXDFZYEN-PMPSAXMXSA-N 1 1 279.330 3.186 20 30 CGEDMO C#C[C@H]([NH2+][C@@H](C)c1ccc2ccccc2n1)[C@@H]1CCCO1 ZINC000775573105 628109757 /nfs/dbraw/zinc/10/97/57/628109757.db2.gz GELXKDGNDJTTML-YEWWUXTCSA-N 1 1 280.371 3.066 20 30 CGEDMO CC(C)[C@H]1CC[N@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000775765885 628134471 /nfs/dbraw/zinc/13/44/71/628134471.db2.gz UTVKORBULOQHHZ-CZUORRHYSA-N 1 1 258.365 3.208 20 30 CGEDMO COc1cc([C@H](C)[NH2+]CC2(C#N)CC2)ccc1OC(F)F ZINC000776007861 628157700 /nfs/dbraw/zinc/15/77/00/628157700.db2.gz MOFUDXYBXCGISG-JTQLQIEISA-N 1 1 296.317 3.251 20 30 CGEDMO C[C@@H]1CC[N@H+](Cc2ccccc2)CC1=NNC1CCCC1 ZINC000776180220 628177437 /nfs/dbraw/zinc/17/74/37/628177437.db2.gz KDPAIYGQUPTMAC-OAHLLOKOSA-N 1 1 285.435 3.417 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CC1=NNC1CCCC1 ZINC000776180220 628177441 /nfs/dbraw/zinc/17/74/41/628177441.db2.gz KDPAIYGQUPTMAC-OAHLLOKOSA-N 1 1 285.435 3.417 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000777730706 628296732 /nfs/dbraw/zinc/29/67/32/628296732.db2.gz NSGVAJJWEHJJFL-WMLDXEAASA-N 1 1 277.383 3.464 20 30 CGEDMO C=CC[N@@H+](Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)C1CC1 ZINC000777958471 628314435 /nfs/dbraw/zinc/31/44/35/628314435.db2.gz PYQXJOQEAPZQDU-UHFFFAOYSA-N 1 1 298.346 3.066 20 30 CGEDMO C=CC[N@H+](Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)C1CC1 ZINC000777958471 628314436 /nfs/dbraw/zinc/31/44/36/628314436.db2.gz PYQXJOQEAPZQDU-UHFFFAOYSA-N 1 1 298.346 3.066 20 30 CGEDMO C=CCC[C@H](C(=O)OCCn1cc[nH+]c1C)c1ccccc1 ZINC000778552844 628356740 /nfs/dbraw/zinc/35/67/40/628356740.db2.gz RACILDKVZXVLGV-KRWDZBQOSA-N 1 1 298.386 3.485 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000779188277 628393246 /nfs/dbraw/zinc/39/32/46/628393246.db2.gz KDZOFCUUHFZPQF-GOSISDBHSA-N 1 1 299.414 3.090 20 30 CGEDMO C#CCCCCCC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000779746941 628425755 /nfs/dbraw/zinc/42/57/55/628425755.db2.gz LATGGFADVORIOZ-GOSISDBHSA-N 1 1 298.430 3.085 20 30 CGEDMO C#CCCCCCC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000779746941 628425757 /nfs/dbraw/zinc/42/57/57/628425757.db2.gz LATGGFADVORIOZ-GOSISDBHSA-N 1 1 298.430 3.085 20 30 CGEDMO CN1c2ccccc2C(C)(C)C1=CC=[NH+][N-]c1cc[nH+]cc1 ZINC000779806749 628432813 /nfs/dbraw/zinc/43/28/13/628432813.db2.gz FFTXSCQZKPUNBC-JALCFHOZSA-N 1 1 292.386 3.213 20 30 CGEDMO CCCOc1ccc2[nH]cc(C=NNc3cc[nH+]cc3)c2c1 ZINC000779808215 628433537 /nfs/dbraw/zinc/43/35/37/628433537.db2.gz DLKVVCAAWBDGFS-UHFFFAOYSA-N 1 1 294.358 3.220 20 30 CGEDMO CC1(C)CC(=NNc2cc[nH+]cc2)c2ccccc21 ZINC000779808981 628433583 /nfs/dbraw/zinc/43/35/83/628433583.db2.gz QNNQYIHJUFEAEP-UHFFFAOYSA-N 1 1 251.333 3.001 20 30 CGEDMO CCCCCCCC[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000780327085 628482851 /nfs/dbraw/zinc/48/28/51/628482851.db2.gz WQFGTSIXFSOYOW-UHFFFAOYSA-N 1 1 278.444 3.335 20 30 CGEDMO C#CCCCCCC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000780400782 628487178 /nfs/dbraw/zinc/48/71/78/628487178.db2.gz MCAOQHWQHHUXTD-UHFFFAOYSA-N 1 1 292.467 3.149 20 30 CGEDMO C#CCCCCCC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000780676896 628509184 /nfs/dbraw/zinc/50/91/84/628509184.db2.gz AAQZAWNUYIGEPY-PKOBYXMFSA-N 1 1 298.430 3.132 20 30 CGEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)O[C@@H](C#N)CC)cc1 ZINC000781189131 628545497 /nfs/dbraw/zinc/54/54/97/628545497.db2.gz XCGPMNTWBSDCOI-MRXNPFEDSA-N 1 1 288.391 3.377 20 30 CGEDMO C[C@H](CN[C@H](C)c1ccc(C#N)cc1F)[NH+]1CCCCC1 ZINC000781420975 628558966 /nfs/dbraw/zinc/55/89/66/628558966.db2.gz NHAKMVNYONEBEU-ZIAGYGMSSA-N 1 1 289.398 3.222 20 30 CGEDMO C=C(Br)C[N@@H+]1CC[C@]2(CC[C@H](C)C2)C1 ZINC000782104885 628615937 /nfs/dbraw/zinc/61/59/37/628615937.db2.gz ADXADEHPNDIGRD-JQWIXIFHSA-N 1 1 258.203 3.407 20 30 CGEDMO C#CCOc1ccc(CNc2[nH]c3ccc(F)cc3[nH+]2)cc1 ZINC000784327360 628805640 /nfs/dbraw/zinc/80/56/40/628805640.db2.gz XDUHXMZNVVCANF-UHFFFAOYSA-N 1 1 295.317 3.326 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000784579795 628823174 /nfs/dbraw/zinc/82/31/74/628823174.db2.gz WNAHZNDXHSWQGF-HNNXBMFYSA-N 1 1 269.429 3.432 20 30 CGEDMO C[C@@H](OC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)c1cccc(C#N)c1 ZINC000785732133 628883142 /nfs/dbraw/zinc/88/31/42/628883142.db2.gz NFCVHPJOLMTGLQ-HZSPNIEDSA-N 1 1 286.375 3.035 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000786438464 628932932 /nfs/dbraw/zinc/93/29/32/628932932.db2.gz UWMJKMFMDXSHDU-UHFFFAOYSA-N 1 1 283.371 3.290 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000786578802 628949316 /nfs/dbraw/zinc/94/93/16/628949316.db2.gz NDDRRZJZLNQLFB-UHFFFAOYSA-N 1 1 254.717 3.256 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC)cc1O ZINC000787307890 629007794 /nfs/dbraw/zinc/00/77/94/629007794.db2.gz AIAYHGKOINWRAX-CQSZACIVSA-N 1 1 261.365 3.331 20 30 CGEDMO C=C[C@H]1CCCCN1C(=O)C[N@H+](C)CCCCCC ZINC000787681783 629022004 /nfs/dbraw/zinc/02/20/04/629022004.db2.gz RLTXPAUOADALDX-HNNXBMFYSA-N 1 1 266.429 3.066 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1ccc(Br)cc1F ZINC000787998304 629039300 /nfs/dbraw/zinc/03/93/00/629039300.db2.gz ZGERKXUAIJBPPT-UHFFFAOYSA-N 1 1 284.172 3.432 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1ccc(Br)cc1F ZINC000787998304 629039302 /nfs/dbraw/zinc/03/93/02/629039302.db2.gz ZGERKXUAIJBPPT-UHFFFAOYSA-N 1 1 284.172 3.432 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)C[C@@H](C)Cc2ccccc2)n1 ZINC000789759645 629166096 /nfs/dbraw/zinc/16/60/96/629166096.db2.gz YPPXWDBJRUAYKY-KRWDZBQOSA-N 1 1 295.430 3.217 20 30 CGEDMO CCCCCCCCC[N@H+]1CCN(C(C)=O)C[C@H]1C ZINC000792238830 629351447 /nfs/dbraw/zinc/35/14/47/629351447.db2.gz ZTSIXEOSHXACPE-OAHLLOKOSA-N 1 1 268.445 3.290 20 30 CGEDMO C#CC[N@@H+](C)CC/C=C\c1ccc(Br)cc1 ZINC000792305683 629354946 /nfs/dbraw/zinc/35/49/46/629354946.db2.gz MYXDWYQGBAQWQO-XQRVVYSFSA-N 1 1 278.193 3.417 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(OCC)cc2O)C1 ZINC000862441079 629373340 /nfs/dbraw/zinc/37/33/40/629373340.db2.gz OEHNATSTLNFOTH-CYBMUJFWSA-N 1 1 261.365 3.189 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(OC)c(OC)c2C)C1 ZINC000862441370 629374015 /nfs/dbraw/zinc/37/40/15/629374015.db2.gz QTRHHNJLKXYXFD-CQSZACIVSA-N 1 1 275.392 3.410 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC000862442281 629374357 /nfs/dbraw/zinc/37/43/57/629374357.db2.gz BFKRPDQOCWZZIT-LBPRGKRZSA-N 1 1 293.794 3.202 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(OCC=C)c(OC)c2)C1 ZINC000862443362 629377109 /nfs/dbraw/zinc/37/71/09/629377109.db2.gz OTAJOKOIUKIZFJ-HNNXBMFYSA-N 1 1 285.387 3.105 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000862443532 629377153 /nfs/dbraw/zinc/37/71/53/629377153.db2.gz QOKQNYIQWCEZFF-GFCCVEGCSA-N 1 1 265.303 3.133 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000862445228 629378269 /nfs/dbraw/zinc/37/82/69/629378269.db2.gz OPDNROIGGYHVDB-AWEZNQCLSA-N 1 1 250.345 3.080 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000862445041 629378450 /nfs/dbraw/zinc/37/84/50/629378450.db2.gz KMOXCUPPABVLTN-LBPRGKRZSA-N 1 1 263.768 3.199 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000862444907 629378464 /nfs/dbraw/zinc/37/84/64/629378464.db2.gz IPUMTGIJLOBDHL-ZDUSSCGKSA-N 1 1 279.330 3.176 20 30 CGEDMO C#CC[N@H+](CCC(C)(C)C(=O)OC)[C@H]1CCc2ccccc21 ZINC000792761202 629379671 /nfs/dbraw/zinc/37/96/71/629379671.db2.gz JZHARAKMINMIBM-KRWDZBQOSA-N 1 1 299.414 3.198 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cccc(Br)c2F)C1 ZINC000862448420 629381467 /nfs/dbraw/zinc/38/14/67/629381467.db2.gz YOPIXYKCXJMMSM-LLVKDONJSA-N 1 1 296.183 3.433 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(OCC)c(F)c2)C1 ZINC000862447924 629381727 /nfs/dbraw/zinc/38/17/27/629381727.db2.gz SPJYODGDCOYLRI-ZDUSSCGKSA-N 1 1 261.340 3.070 20 30 CGEDMO CC[C@@H]1C[C@@H](C[N@H+]2CCc3c(CC#N)cccc3C2)CCO1 ZINC000862542311 629397465 /nfs/dbraw/zinc/39/74/65/629397465.db2.gz LNDAUZOYTQKYIY-MAUKXSAKSA-N 1 1 298.430 3.316 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@](C)(OC)C2)cc1 ZINC000793216953 629429291 /nfs/dbraw/zinc/42/92/91/629429291.db2.gz KWHCGQXGAJADAX-SFHVURJKSA-N 1 1 287.403 3.090 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@H+]1[C@H](C)C[C@@H]1C ZINC000793219838 629430495 /nfs/dbraw/zinc/43/04/95/629430495.db2.gz GULIDUZSOHBBIL-TXEJJXNPSA-N 1 1 263.768 3.335 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1[C@H](C)C[C@@H]1C ZINC000793219838 629430498 /nfs/dbraw/zinc/43/04/98/629430498.db2.gz GULIDUZSOHBBIL-TXEJJXNPSA-N 1 1 263.768 3.335 20 30 CGEDMO C#CCOc1ccc(C[N@@H+](CC2CC2)C2CCC2)cc1 ZINC000793394499 629453528 /nfs/dbraw/zinc/45/35/28/629453528.db2.gz NCJDRDJCAHMJGC-UHFFFAOYSA-N 1 1 269.388 3.463 20 30 CGEDMO C=CC[N@H+](CN1CC[C@H](CCc2ccccc2)C1=O)C1CC1 ZINC000793512006 629472313 /nfs/dbraw/zinc/47/23/13/629472313.db2.gz ONTRXSQZQUGTPV-KRWDZBQOSA-N 1 1 298.430 3.076 20 30 CGEDMO C=CC[N@@H+](CN1CC[C@H](CCc2ccccc2)C1=O)C1CC1 ZINC000793512006 629472320 /nfs/dbraw/zinc/47/23/20/629472320.db2.gz ONTRXSQZQUGTPV-KRWDZBQOSA-N 1 1 298.430 3.076 20 30 CGEDMO C[N@H+]1CCC(N=Nc2ccc(Cl)cn2)CC1(C)C ZINC000863125533 629480001 /nfs/dbraw/zinc/48/00/01/629480001.db2.gz YLVXTKVZTCVWQY-UHFFFAOYSA-N 1 1 266.776 3.007 20 30 CGEDMO O=[N+]([O-])c1ccccc1C[C@H]1CCCC1=[NH+]n1cccn1 ZINC000863164751 629487667 /nfs/dbraw/zinc/48/76/67/629487667.db2.gz UOGPMLQKLRRQOA-GFCCVEGCSA-N 1 1 284.319 3.038 20 30 CGEDMO C#CC(C)(C)[N@H+](C)C[C@H](OC(C)C)c1ccccc1 ZINC000794529092 629550378 /nfs/dbraw/zinc/55/03/78/629550378.db2.gz BBGZTEITXGXASM-INIZCTEOSA-N 1 1 259.393 3.496 20 30 CGEDMO C[C@H]1CC(N=Nc2ncccc2F)C[N@H+]1Cc1ccccc1 ZINC000794991302 629616005 /nfs/dbraw/zinc/61/60/05/629616005.db2.gz ZDGMQRDYFOMYNF-ZDUSSCGKSA-N 1 1 298.365 3.283 20 30 CGEDMO C#CCn1cc(-c2cccc(C[N@@H+]3CCC[C@@H]3C)c2)cn1 ZINC000863690902 629647832 /nfs/dbraw/zinc/64/78/32/629647832.db2.gz ZIMWWKAJVSGJTJ-HNNXBMFYSA-N 1 1 279.387 3.168 20 30 CGEDMO C#CC[C@H](NCc1ncc(C[NH+](C)C)s1)c1ccccc1 ZINC000796340007 629768532 /nfs/dbraw/zinc/76/85/32/629768532.db2.gz HFLZEUWMMZWFMI-INIZCTEOSA-N 1 1 299.443 3.059 20 30 CGEDMO C=CCC[C@H]([NH2+]CC(=O)NCc1ccccc1)c1ccco1 ZINC000796714372 629818925 /nfs/dbraw/zinc/81/89/25/629818925.db2.gz FMVUUTPWGJSNKN-INIZCTEOSA-N 1 1 298.386 3.193 20 30 CGEDMO CC[C@@H]([NH2+]CCCCC#N)c1ccc(F)cc1O ZINC000796753443 629826281 /nfs/dbraw/zinc/82/62/81/629826281.db2.gz MSQBURIGPKQGPM-CYBMUJFWSA-N 1 1 250.317 3.266 20 30 CGEDMO C=C(C)CNC(=S)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000798380683 630051034 /nfs/dbraw/zinc/05/10/34/630051034.db2.gz YOMDAUDUVGHFQD-UHFFFAOYSA-N 1 1 297.855 3.264 20 30 CGEDMO Cc1cccc2c1CC[N@@H+](CCCC1(C#N)CCOCC1)C2 ZINC000799121260 630147558 /nfs/dbraw/zinc/14/75/58/630147558.db2.gz VQMWFRUKURVGBK-UHFFFAOYSA-N 1 1 298.430 3.454 20 30 CGEDMO Cc1c(Cl)cccc1N[NH2+]C1=CC(=O)N2CCCC[C@@H]12 ZINC000799475451 630185667 /nfs/dbraw/zinc/18/56/67/630185667.db2.gz BVAGFKAZGOBKBN-AWEZNQCLSA-N 1 1 291.782 3.201 20 30 CGEDMO C[C@@H]1CCC[N@H+]1CCNc1ncc(C#N)c2ccsc21 ZINC000865565045 630191792 /nfs/dbraw/zinc/19/17/92/630191792.db2.gz SOIANQOKUJLCQG-LLVKDONJSA-N 1 1 286.404 3.064 20 30 CGEDMO C=C(CC)C[NH2+]Cc1nccc(C)c1Br ZINC000865594061 630209266 /nfs/dbraw/zinc/20/92/66/630209266.db2.gz RUSKNDAESSCWRE-UHFFFAOYSA-N 1 1 269.186 3.208 20 30 CGEDMO C=CC[N@@H+](CCO[C@H](C)C#N)Cc1ccc(Cl)s1 ZINC000801910161 630363735 /nfs/dbraw/zinc/36/37/35/630363735.db2.gz MNLNJIJJFHELPN-LLVKDONJSA-N 1 1 284.812 3.318 20 30 CGEDMO C=CC[N@H+](CCO[C@H](C)C#N)Cc1ccc(Cl)s1 ZINC000801910161 630363739 /nfs/dbraw/zinc/36/37/39/630363739.db2.gz MNLNJIJJFHELPN-LLVKDONJSA-N 1 1 284.812 3.318 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC000801909440 630364072 /nfs/dbraw/zinc/36/40/72/630364072.db2.gz BWEGHPATGFBOEJ-JTQLQIEISA-N 1 1 287.190 3.354 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC000801909440 630364077 /nfs/dbraw/zinc/36/40/77/630364077.db2.gz BWEGHPATGFBOEJ-JTQLQIEISA-N 1 1 287.190 3.354 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+](C)CC12CC3CC(CC(C3)C1)C2 ZINC000801910132 630364364 /nfs/dbraw/zinc/36/43/64/630364364.db2.gz LKXOWZVVNDGDJB-SIGVMEELSA-N 1 1 276.424 3.063 20 30 CGEDMO CCC[N@@H+](CCO[C@H](C)C#N)[C@@H](C)c1ccccc1OC ZINC000801913244 630364574 /nfs/dbraw/zinc/36/45/74/630364574.db2.gz BQIDCLDURRZLHG-CABCVRRESA-N 1 1 290.407 3.397 20 30 CGEDMO Cc1cccc(C[N@H+](CCO[C@@H](C)C#N)CC(C)C)c1 ZINC000801914239 630364863 /nfs/dbraw/zinc/36/48/63/630364863.db2.gz UWTSHLUNGUTHDD-INIZCTEOSA-N 1 1 274.408 3.382 20 30 CGEDMO Cc1ccccc1[C@H]1CCC[N@@H+]1CCO[C@H](C)C#N ZINC000801912929 630364908 /nfs/dbraw/zinc/36/49/08/630364908.db2.gz JBXWDYHMKFAINI-GDBMZVCRSA-N 1 1 258.365 3.061 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](Cc1ccccc1)CC(C)(C)C ZINC000801918375 630366083 /nfs/dbraw/zinc/36/60/83/630366083.db2.gz KMSDXNAIQKFLLS-OAHLLOKOSA-N 1 1 274.408 3.463 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+](C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000801922068 630366798 /nfs/dbraw/zinc/36/67/98/630366798.db2.gz DZGGMEKDKYKHTJ-STQMWFEESA-N 1 1 280.799 3.131 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000801921392 630367066 /nfs/dbraw/zinc/36/70/66/630367066.db2.gz BLLYVFGLOQEOIM-IJEWVQPXSA-N 1 1 290.432 3.094 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000801930342 630369129 /nfs/dbraw/zinc/36/91/29/630369129.db2.gz NHSILETXNBVHKX-GOEBONIOSA-N 1 1 297.402 3.276 20 30 CGEDMO C=CCCCCC[N@H+](C)CN1C(=O)[C@H](C2CC2)[C@H]1C1CC1 ZINC000840008794 630488981 /nfs/dbraw/zinc/48/89/81/630488981.db2.gz WZYBPNZAOZRPTG-IAGOWNOFSA-N 1 1 290.451 3.269 20 30 CGEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)OCCCC(C)(C)C#N ZINC000803854584 630503082 /nfs/dbraw/zinc/50/30/82/630503082.db2.gz UOOOSQDKNBAJOE-CQSZACIVSA-N 1 1 280.412 3.124 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)CN1C[C@H]2CCC[C@@H]2C1=O ZINC000840060785 630560871 /nfs/dbraw/zinc/56/08/71/630560871.db2.gz GDJOHTUINOCBMT-MSOLQXFVSA-N 1 1 298.430 3.281 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)CN1C[C@H]2CCC[C@@H]2C1=O ZINC000840060785 630560872 /nfs/dbraw/zinc/56/08/72/630560872.db2.gz GDJOHTUINOCBMT-MSOLQXFVSA-N 1 1 298.430 3.281 20 30 CGEDMO C=CCCCCCCCCNC(=O)N1CCC[N@H+](C)CC1 ZINC000807592845 630595031 /nfs/dbraw/zinc/59/50/31/630595031.db2.gz UZAJHGPQRQHOLC-UHFFFAOYSA-N 1 1 295.471 3.250 20 30 CGEDMO N#CCC1(C[N@@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)CC1 ZINC000878222860 635420191 /nfs/dbraw/zinc/42/01/91/635420191.db2.gz JHFGACVLGPOGBK-SJORKVTESA-N 1 1 284.403 3.268 20 30 CGEDMO N#CC[C@@H](O)C[N@H+]1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000809577008 630753629 /nfs/dbraw/zinc/75/36/29/630753629.db2.gz IZAOCXQDLYGOFQ-FWGLOVMOSA-N 1 1 284.403 3.219 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)Cc2cccc(N(C)C)c2)cc1 ZINC000809593042 630756783 /nfs/dbraw/zinc/75/67/83/630756783.db2.gz MSDLWRGCZHUPMG-UHFFFAOYSA-N 1 1 278.399 3.366 20 30 CGEDMO C#Cc1ccc(CNCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000809617704 630763578 /nfs/dbraw/zinc/76/35/78/630763578.db2.gz UJPZZBWBNVDCII-IYBDPMFKSA-N 1 1 270.420 3.020 20 30 CGEDMO C#Cc1ccc(CNCC[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000809617704 630763583 /nfs/dbraw/zinc/76/35/83/630763583.db2.gz UJPZZBWBNVDCII-IYBDPMFKSA-N 1 1 270.420 3.020 20 30 CGEDMO C#C[C@H]([NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)C(C)C ZINC000809684418 630779424 /nfs/dbraw/zinc/77/94/24/630779424.db2.gz BEYMDRCHAPJCQL-UHOSZYNNSA-N 1 1 284.447 3.144 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)cc1 ZINC000809693220 630784497 /nfs/dbraw/zinc/78/44/97/630784497.db2.gz QNJRFPPLVYEGHB-GOSISDBHSA-N 1 1 295.386 3.149 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)cc1 ZINC000809693220 630784501 /nfs/dbraw/zinc/78/45/01/630784501.db2.gz QNJRFPPLVYEGHB-GOSISDBHSA-N 1 1 295.386 3.149 20 30 CGEDMO C#C[C@H]([NH2+]C1CC(OCC)C1)c1ccc(Cl)cc1F ZINC000809699461 630785633 /nfs/dbraw/zinc/78/56/33/630785633.db2.gz OTVNPEXNOZTSIM-QOZQQMKHSA-N 1 1 281.758 3.311 20 30 CGEDMO C#CCOc1ccc(C[N@H+](C)[C@H](CC)CSC)cc1 ZINC000809767861 630803436 /nfs/dbraw/zinc/80/34/36/630803436.db2.gz WBYHYNRTXJBPBA-OAHLLOKOSA-N 1 1 277.433 3.272 20 30 CGEDMO C#C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(C)(C)C ZINC000809783123 630807327 /nfs/dbraw/zinc/80/73/27/630807327.db2.gz RSPDQGPOYPQBQU-LJQANCHMSA-N 1 1 298.474 3.331 20 30 CGEDMO C#C[C@@H](NC1CC[NH+](CCc2ccccc2)CC1)C(C)(C)C ZINC000809783123 630807333 /nfs/dbraw/zinc/80/73/33/630807333.db2.gz RSPDQGPOYPQBQU-LJQANCHMSA-N 1 1 298.474 3.331 20 30 CGEDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)OCC(C)(C)CCC#N)C1 ZINC000810825090 630952592 /nfs/dbraw/zinc/95/25/92/630952592.db2.gz JNYDHEMWMWNOCR-MRXNPFEDSA-N 1 1 298.402 3.072 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)C[C@@H]2CC(C)=C[C@H](C)C2)n1 ZINC000811497873 631075959 /nfs/dbraw/zinc/07/59/59/631075959.db2.gz WWTMENUOJQEDRM-RDJZCZTQSA-N 1 1 285.435 3.331 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000811510746 631080951 /nfs/dbraw/zinc/08/09/51/631080951.db2.gz NYYKQQVJLWAGEZ-QZTJIDSGSA-N 1 1 299.414 3.088 20 30 CGEDMO C=CC[C@H](C)[N@@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000878709812 635612434 /nfs/dbraw/zinc/61/24/34/635612434.db2.gz UNFQXCKASSKCMT-SMDDNHRTSA-N 1 1 298.224 3.379 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCC1=NOC1CCC1 ZINC000812235169 631226225 /nfs/dbraw/zinc/22/62/25/631226225.db2.gz NWJLMZKJQMVXOR-CQSZACIVSA-N 1 1 272.392 3.454 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(Cl)nn1)[C@@H]1CCc2ccccc21 ZINC000876513196 634849761 /nfs/dbraw/zinc/84/97/61/634849761.db2.gz ILSDBECPCWHUFD-MRXNPFEDSA-N 1 1 297.789 3.253 20 30 CGEDMO C#CC[N@H+](Cc1ccc(Cl)nn1)[C@@H]1CCc2ccccc21 ZINC000876513196 634849764 /nfs/dbraw/zinc/84/97/64/634849764.db2.gz ILSDBECPCWHUFD-MRXNPFEDSA-N 1 1 297.789 3.253 20 30 CGEDMO CCc1ccccc1N[NH+]=C(C)c1ccc(N)nc1 ZINC000814802214 631642951 /nfs/dbraw/zinc/64/29/51/631642951.db2.gz WOMXPQDIDYMJSO-UHFFFAOYSA-N 1 1 254.337 3.062 20 30 CGEDMO C#CC[N@@H+](C)CCCNc1cc2ccccc2c(Cl)n1 ZINC000814930133 631686356 /nfs/dbraw/zinc/68/63/56/631686356.db2.gz VGIPUAHPMNAYKY-UHFFFAOYSA-N 1 1 287.794 3.255 20 30 CGEDMO N#Cc1cncc(Nc2ccc([NH+]3CCCCCC3)cc2)n1 ZINC000817119941 632084303 /nfs/dbraw/zinc/08/43/03/632084303.db2.gz HQEPKVSEYCEEFD-UHFFFAOYSA-N 1 1 293.374 3.472 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@@]1(C)Cc1ccc(F)cc1 ZINC000817276409 632113254 /nfs/dbraw/zinc/11/32/54/632113254.db2.gz DEAGZMZWVAPQKE-PBHICJAKSA-N 1 1 290.382 3.151 20 30 CGEDMO C=C(Cl)COc1ccc([C@@H](C)NCCC[NH2+]CC)cc1 ZINC000817942652 632242385 /nfs/dbraw/zinc/24/23/85/632242385.db2.gz BXZPXDKRYUJGNT-CQSZACIVSA-N 1 1 296.842 3.468 20 30 CGEDMO C#CCOc1ccc([C@H](C)NC[C@H]([NH3+])c2ccccc2)cc1 ZINC000817955586 632249881 /nfs/dbraw/zinc/24/98/81/632249881.db2.gz ZLXBYIISTFNQTH-KXBFYZLASA-N 1 1 294.398 3.049 20 30 CGEDMO C[N@@H+](CCc1cccs1)CCc1cccc(C#N)c1 ZINC000879434662 635786729 /nfs/dbraw/zinc/78/67/29/635786729.db2.gz VXYQNXDJZIVALS-UHFFFAOYSA-N 1 1 270.401 3.337 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CCC=CO1 ZINC000822526235 632962856 /nfs/dbraw/zinc/96/28/56/632962856.db2.gz RSSMWEDDHIPRAW-BBRMVZONSA-N 1 1 256.349 3.244 20 30 CGEDMO C=CC[C@@H]1[N@H+](C[C@H]2CN(C3CC3)C(=O)O2)CCCC1(C)C ZINC000844324080 635869536 /nfs/dbraw/zinc/86/95/36/635869536.db2.gz LAWAYJVQZVDXBN-GJZGRUSLSA-N 1 1 292.423 3.036 20 30 CGEDMO C=CC[N@@H+](C[C@H](C)c1ccc(S(C)(=O)=O)cc1)C(C)C ZINC000823408726 633100385 /nfs/dbraw/zinc/10/03/85/633100385.db2.gz PTMGKQHFZVAACA-AWEZNQCLSA-N 1 1 295.448 3.090 20 30 CGEDMO C=CC1CC[NH+](Cc2ccnc(Cl)c2F)CC1 ZINC000823448261 633107569 /nfs/dbraw/zinc/10/75/69/633107569.db2.gz WBTPEOXUSYTRKZ-UHFFFAOYSA-N 1 1 254.736 3.272 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@@](C)(O)c1ccccc1 ZINC000823591664 633124714 /nfs/dbraw/zinc/12/47/14/633124714.db2.gz LZXQOJMVVLQRKO-HNAYVOBHSA-N 1 1 294.398 3.459 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@](C)(O)c1ccccc1 ZINC000823591662 633124895 /nfs/dbraw/zinc/12/48/95/633124895.db2.gz LZXQOJMVVLQRKO-BEFAXECRSA-N 1 1 294.398 3.459 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(F)cc1)C[C@](C)(O)c1ccccc1 ZINC000823599717 633125525 /nfs/dbraw/zinc/12/55/25/633125525.db2.gz VSDIMXIMRPTUOM-IBGZPJMESA-N 1 1 297.373 3.017 20 30 CGEDMO CC(C)C(=O)CC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000823618515 633128122 /nfs/dbraw/zinc/12/81/22/633128122.db2.gz SYRURWCKCMDKNX-ZDUSSCGKSA-N 1 1 258.365 3.166 20 30 CGEDMO C[C@@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)c1ccc(F)cc1O ZINC000866617285 633216109 /nfs/dbraw/zinc/21/61/09/633216109.db2.gz GSBRYBIJCYGOKE-BZNIZROVSA-N 1 1 296.345 3.221 20 30 CGEDMO CC(C)([NH2+]Cc1cc(F)ncc1F)c1cccc(C#N)c1 ZINC000826910363 633443345 /nfs/dbraw/zinc/44/33/45/633443345.db2.gz FZXKWAMIVCHZTB-UHFFFAOYSA-N 1 1 287.313 3.256 20 30 CGEDMO C#CCC[C@H](O)CNc1cc[nH+]c2cc(F)c(Cl)cc12 ZINC000828080665 633557578 /nfs/dbraw/zinc/55/75/78/633557578.db2.gz GXNQJDNENANIJE-JTQLQIEISA-N 1 1 292.741 3.214 20 30 CGEDMO CCC(C#N)(CC)C(=O)O[C@H](C)C[C@@H]1CCCC[N@H+]1C ZINC000870787209 633646048 /nfs/dbraw/zinc/64/60/48/633646048.db2.gz UZAPPZFQZWJIRG-KGLIPLIRSA-N 1 1 280.412 3.122 20 30 CGEDMO C#CC[N@H+](Cc1cccc(OC)c1OC)C1CCCC1 ZINC000123452302 633691966 /nfs/dbraw/zinc/69/19/66/633691966.db2.gz XTWDPNZKKFQOGR-UHFFFAOYSA-N 1 1 273.376 3.082 20 30 CGEDMO CCCCCCC[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC000829143442 633704268 /nfs/dbraw/zinc/70/42/68/633704268.db2.gz NSTKKSYKDFPANQ-UHFFFAOYSA-N 1 1 267.804 3.459 20 30 CGEDMO CCCCCCC[N@H+]1CCc2cc(Cl)nnc2C1 ZINC000829143442 633704270 /nfs/dbraw/zinc/70/42/70/633704270.db2.gz NSTKKSYKDFPANQ-UHFFFAOYSA-N 1 1 267.804 3.459 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(CC)c2ccccc2)C1 ZINC000829769663 633778412 /nfs/dbraw/zinc/77/84/12/633778412.db2.gz YVABRPHQGMUBGE-DLBZAZTESA-N 1 1 298.430 3.163 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000829769026 633779136 /nfs/dbraw/zinc/77/91/36/633779136.db2.gz MXBPUHJMAUTGGH-CYBMUJFWSA-N 1 1 287.794 3.223 20 30 CGEDMO C#CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(CC)c2ccccc2)C1 ZINC000829769665 633779169 /nfs/dbraw/zinc/77/91/69/633779169.db2.gz YVABRPHQGMUBGE-IRXDYDNUSA-N 1 1 298.430 3.163 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](CC(=O)c2cc(C)n(C3CC3)c2C)C1 ZINC000829773555 633780877 /nfs/dbraw/zinc/78/08/77/633780877.db2.gz FUMHPKNSWMZICU-INIZCTEOSA-N 1 1 298.430 3.358 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2cncc3ccccc32)C1 ZINC000829809509 633793050 /nfs/dbraw/zinc/79/30/50/633793050.db2.gz CGKOBFODMXZSIE-OAHLLOKOSA-N 1 1 264.372 3.470 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000829814991 633795754 /nfs/dbraw/zinc/79/57/54/633795754.db2.gz DGZYYNPNDVSNCH-NEPJUHHUSA-N 1 1 260.208 3.306 20 30 CGEDMO C#CCC[N@H+]1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000829871835 633805422 /nfs/dbraw/zinc/80/54/22/633805422.db2.gz CBFHCJKDMLRMFF-CQSZACIVSA-N 1 1 273.767 3.377 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000829871835 633805425 /nfs/dbraw/zinc/80/54/25/633805425.db2.gz CBFHCJKDMLRMFF-CQSZACIVSA-N 1 1 273.767 3.377 20 30 CGEDMO C#CC1CC[NH+]([C@@H](C)c2nnc(-c3cccs3)o2)CC1 ZINC000830305687 633848358 /nfs/dbraw/zinc/84/83/58/633848358.db2.gz QPWFPAUNTAJECT-NSHDSACASA-N 1 1 287.388 3.204 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](O)[C@@H]1CCc1ccccc1 ZINC000830396798 633859457 /nfs/dbraw/zinc/85/94/57/633859457.db2.gz UEFPAHFXXCGKHO-JKSUJKDBSA-N 1 1 279.811 3.197 20 30 CGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(C2CCCCC2)no1 ZINC000871781318 633861260 /nfs/dbraw/zinc/86/12/60/633861260.db2.gz XNYRFFWCLGUVIG-SNVBAGLBSA-N 1 1 255.749 3.260 20 30 CGEDMO Cc1cccc2c1CC(C)(C)[N@@H+](CCO[C@@H](C)C#N)C2 ZINC000830755144 633885097 /nfs/dbraw/zinc/88/50/97/633885097.db2.gz YTUFVSGKPJNURC-AWEZNQCLSA-N 1 1 272.392 3.060 20 30 CGEDMO C[C@@]12C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000831005379 633910011 /nfs/dbraw/zinc/91/00/11/633910011.db2.gz JSLXMYKXMVVCBS-NEPXVJNWSA-N 1 1 294.398 3.233 20 30 CGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2cc(C)oc2C)no1 ZINC000872179366 634080102 /nfs/dbraw/zinc/08/01/02/634080102.db2.gz AKAFSWFBLXQSAB-SNVBAGLBSA-N 1 1 267.716 3.089 20 30 CGEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2ccc3c(c2)CCC3)no1 ZINC000872182556 634080833 /nfs/dbraw/zinc/08/08/33/634080833.db2.gz NZKMYUBRBCOBPF-ZDUSSCGKSA-N 1 1 289.766 3.368 20 30 CGEDMO CSc1ccc(N=NC2CC[N@H+]3CCC[C@H]23)cc1 ZINC000834998538 634306834 /nfs/dbraw/zinc/30/68/34/634306834.db2.gz JAIUFEWANRDJCT-CQSZACIVSA-N 1 1 261.394 3.045 20 30 CGEDMO CC[N@@H+](Cc1cc(C#N)cnc1Cl)[C@H](C)C(C)C ZINC000876643285 634874845 /nfs/dbraw/zinc/87/48/45/634874845.db2.gz BZZFITBVYWBUMT-LLVKDONJSA-N 1 1 265.788 3.473 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000876654328 634875341 /nfs/dbraw/zinc/87/53/41/634875341.db2.gz CEGZJTILKLKSQD-QGZVFWFLSA-N 1 1 292.467 3.054 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@H](CNC(=O)CCC)C1 ZINC000876655250 634875970 /nfs/dbraw/zinc/87/59/70/634875970.db2.gz XXXIHEXTRXEGMY-QGZVFWFLSA-N 1 1 292.467 3.198 20 30 CGEDMO CCC[N@@H+](Cc1cccc(C#N)n1)Cc1ccccc1O ZINC000876654857 634876141 /nfs/dbraw/zinc/87/61/41/634876141.db2.gz RDDXZMMQIPRWHO-UHFFFAOYSA-N 1 1 281.359 3.071 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000876697273 634884237 /nfs/dbraw/zinc/88/42/37/634884237.db2.gz RHQPYHMXQPLEBH-KRWDZBQOSA-N 1 1 290.451 3.047 20 30 CGEDMO C[C@@H]1CCCCC[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000876733207 634888025 /nfs/dbraw/zinc/88/80/25/634888025.db2.gz RRQASZXYOAJVNY-LLVKDONJSA-N 1 1 263.772 3.371 20 30 CGEDMO C#CCCCCCC[N@@H+](C)[C@H]1CCN(CC)C[C@H]1C ZINC000876763563 634895347 /nfs/dbraw/zinc/89/53/47/634895347.db2.gz KLVCAKFNBXFAOD-SJORKVTESA-N 1 1 264.457 3.232 20 30 CGEDMO C#CCCCCCC[N@H+](C)[C@H]1CCN(CC)C[C@H]1C ZINC000876763563 634895350 /nfs/dbraw/zinc/89/53/50/634895350.db2.gz KLVCAKFNBXFAOD-SJORKVTESA-N 1 1 264.457 3.232 20 30 CGEDMO CS[C@H]1CCCC[N@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876812047 634904488 /nfs/dbraw/zinc/90/44/88/634904488.db2.gz QMJCBVWYZOWSEU-ZDUSSCGKSA-N 1 1 295.839 3.324 20 30 CGEDMO CS[C@H]1CCCC[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876812047 634904491 /nfs/dbraw/zinc/90/44/91/634904491.db2.gz QMJCBVWYZOWSEU-ZDUSSCGKSA-N 1 1 295.839 3.324 20 30 CGEDMO CCCC[N@@H+](C)CC1CCN(C(=O)C#CC(C)(C)C)CC1 ZINC000837413716 634904975 /nfs/dbraw/zinc/90/49/75/634904975.db2.gz KYARYIMGVREFEB-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO CC[C@H]([NH2+]Cc1cccc(C#N)n1)c1ccccc1OC ZINC000876927829 634929929 /nfs/dbraw/zinc/92/99/29/634929929.db2.gz NBZJRSAMRHVQDU-INIZCTEOSA-N 1 1 281.359 3.203 20 30 CGEDMO Cc1cc([NH2+]C[C@H](C)CCC#N)ccc1N1CCOCC1 ZINC000877195074 635011743 /nfs/dbraw/zinc/01/17/43/635011743.db2.gz CKEVDVPIOAMAFV-CQSZACIVSA-N 1 1 287.407 3.183 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000877479071 635052762 /nfs/dbraw/zinc/05/27/62/635052762.db2.gz RNDXHUYYZHWPHE-ZIAGYGMSSA-N 1 1 291.357 3.205 20 30 CGEDMO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1nc(Cl)cs1 ZINC000877483218 635055122 /nfs/dbraw/zinc/05/51/22/635055122.db2.gz QCSGZPIOXGTJJT-GFCCVEGCSA-N 1 1 289.791 3.445 20 30 CGEDMO C#C[C@H](CC)[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC000877512890 635066158 /nfs/dbraw/zinc/06/61/58/635066158.db2.gz FHICQPPEHZIBNN-SNVBAGLBSA-N 1 1 293.164 3.092 20 30 CGEDMO C#CCCCCCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000877519806 635069010 /nfs/dbraw/zinc/06/90/10/635069010.db2.gz ZJLNBFOXNMXUJJ-SJPCQFCGSA-N 1 1 262.441 3.127 20 30 CGEDMO C#CCCCCCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000877519806 635069018 /nfs/dbraw/zinc/06/90/18/635069018.db2.gz ZJLNBFOXNMXUJJ-SJPCQFCGSA-N 1 1 262.441 3.127 20 30 CGEDMO C#CCCCCCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000877519806 635069020 /nfs/dbraw/zinc/06/90/20/635069020.db2.gz ZJLNBFOXNMXUJJ-SJPCQFCGSA-N 1 1 262.441 3.127 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+](CCc1ccccc1)CCN(C)C ZINC000877522631 635070593 /nfs/dbraw/zinc/07/05/93/635070593.db2.gz PWAFGSLPLRTFJS-KRWDZBQOSA-N 1 1 287.451 3.033 20 30 CGEDMO N#Cc1cnc(Cl)c(C[N@H+]2CC[C@@H](C3CCC3)C2)c1 ZINC000877592517 635104977 /nfs/dbraw/zinc/10/49/77/635104977.db2.gz IACRANKMAWKSRU-CYBMUJFWSA-N 1 1 275.783 3.229 20 30 CGEDMO N#Cc1cnc(Cl)c(C[N@H+]2CCC[C@H](CCF)C2)c1 ZINC000877630984 635122969 /nfs/dbraw/zinc/12/29/69/635122969.db2.gz LYMVEQGVDZTVNQ-LLVKDONJSA-N 1 1 281.762 3.178 20 30 CGEDMO N#Cc1cnc(Cl)c(C[N@@H+]2CCC[C@H](CCF)C2)c1 ZINC000877630984 635122972 /nfs/dbraw/zinc/12/29/72/635122972.db2.gz LYMVEQGVDZTVNQ-LLVKDONJSA-N 1 1 281.762 3.178 20 30 CGEDMO N#Cc1cnc(Cl)c(C[N@H+]2CCCC3(CC3)CC2)c1 ZINC000877660248 635135253 /nfs/dbraw/zinc/13/52/53/635135253.db2.gz KQFPVNHANKUSFI-UHFFFAOYSA-N 1 1 275.783 3.373 20 30 CGEDMO C=C(C)C[C@H]([NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)OC ZINC000877690352 635147847 /nfs/dbraw/zinc/14/78/47/635147847.db2.gz RHLASGRLLBHTRQ-UTUOFQBUSA-N 1 1 293.329 3.205 20 30 CGEDMO CC(=O)Nc1ccc2c(c1)C[N@H+](CC(C)(C)CCC#N)CC2 ZINC000877817112 635222503 /nfs/dbraw/zinc/22/25/03/635222503.db2.gz QLYIMMYOKSCZJZ-UHFFFAOYSA-N 1 1 299.418 3.333 20 30 CGEDMO CC1CCC(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)CC1 ZINC000842149803 635296565 /nfs/dbraw/zinc/29/65/65/635296565.db2.gz GDCKCFYKPZMGIA-JMLCCBQJSA-N 1 1 286.419 3.350 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@H+](C)CC(C)(C)C)c1ccccc1 ZINC000878038533 635333401 /nfs/dbraw/zinc/33/34/01/635333401.db2.gz LWMMLAQHTFUQHM-GOSISDBHSA-N 1 1 286.419 3.405 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCC[C@@H]1C1CC1)c1ccccc1 ZINC000878050169 635338647 /nfs/dbraw/zinc/33/86/47/635338647.db2.gz RQFIMDVZHJAIQN-RTBURBONSA-N 1 1 296.414 3.301 20 30 CGEDMO C#CCCCCC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000878188919 635404256 /nfs/dbraw/zinc/40/42/56/635404256.db2.gz PWFKAHQKNCSRJW-HZPDHXFCSA-N 1 1 275.392 3.361 20 30 CGEDMO C#CCCS[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000842618278 635420025 /nfs/dbraw/zinc/42/00/25/635420025.db2.gz MSHFUDBIDUYOPW-MRXNPFEDSA-N 1 1 259.418 3.408 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000842628170 635420741 /nfs/dbraw/zinc/42/07/41/635420741.db2.gz RVTPLUAPIDWRCE-CQSZACIVSA-N 1 1 269.388 3.116 20 30 CGEDMO C=CC(C)(C)CC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000878244114 635429916 /nfs/dbraw/zinc/42/99/16/635429916.db2.gz LSPOWSKVIRGPAF-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C[C@H]1CC(C)(C)OC1(C)C)C1CC1 ZINC000878299081 635450373 /nfs/dbraw/zinc/45/03/73/635450373.db2.gz MUXYFUUYRJMOEF-QWHCGFSZSA-N 1 1 264.413 3.204 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCCC2(CC2)C1)c1ccccc1 ZINC000878444702 635510721 /nfs/dbraw/zinc/51/07/21/635510721.db2.gz NJACWOUJGZQFBO-LJQANCHMSA-N 1 1 296.414 3.303 20 30 CGEDMO C=CC[C@@H](C)[N@@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000878465882 635521063 /nfs/dbraw/zinc/52/10/63/635521063.db2.gz GYSBDNCHSKGHMX-IAQYHMDHSA-N 1 1 267.319 3.303 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000878465882 635521065 /nfs/dbraw/zinc/52/10/65/635521065.db2.gz GYSBDNCHSKGHMX-IAQYHMDHSA-N 1 1 267.319 3.303 20 30 CGEDMO C#CCCCCC[N@H+](CC)[C@@H]1CCOC(C)(C)C1 ZINC000878624338 635575591 /nfs/dbraw/zinc/57/55/91/635575591.db2.gz ASALPHPSIYPBCB-OAHLLOKOSA-N 1 1 251.414 3.460 20 30 CGEDMO N#CCC1(C[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)CC1 ZINC000878625149 635577333 /nfs/dbraw/zinc/57/73/33/635577333.db2.gz MOJRLHWIXPPFKD-SFHVURJKSA-N 1 1 282.387 3.150 20 30 CGEDMO C=C(Br)C[N@@H+]1CCC[C@H](c2cccnc2)C1 ZINC000878756020 635623273 /nfs/dbraw/zinc/62/32/73/635623273.db2.gz KNBNGHOABZNFSI-ZDUSSCGKSA-N 1 1 281.197 3.170 20 30 CGEDMO C=C(Br)C[N@H+]1CCC[C@H](c2cccnc2)C1 ZINC000878756020 635623276 /nfs/dbraw/zinc/62/32/76/635623276.db2.gz KNBNGHOABZNFSI-ZDUSSCGKSA-N 1 1 281.197 3.170 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1Cc2ccc(NC(=O)C(F)(F)F)cc2C1 ZINC000878887646 635650226 /nfs/dbraw/zinc/65/02/26/635650226.db2.gz MFSFJDNZWZIUPM-SNVBAGLBSA-N 1 1 298.308 3.468 20 30 CGEDMO C=CC[N@H+](CC[C@@H]1CCCC1(F)F)[C@@H](C)COC ZINC000878889558 635651338 /nfs/dbraw/zinc/65/13/38/635651338.db2.gz BOVDHUJCQHRWID-STQMWFEESA-N 1 1 261.356 3.335 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000878937324 635660072 /nfs/dbraw/zinc/66/00/72/635660072.db2.gz SWGVLAJOAXRNBX-BHYGNILZSA-N 1 1 259.393 3.049 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000843413715 635661299 /nfs/dbraw/zinc/66/12/99/635661299.db2.gz NXYACHZIHQGDMX-ZWKOTPCHSA-N 1 1 299.414 3.090 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2c(C)nn(CCC)c2C)C1 ZINC000843423675 635667100 /nfs/dbraw/zinc/66/71/00/635667100.db2.gz HYLDMNJPHVFDND-INIZCTEOSA-N 1 1 273.424 3.145 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+](CC)CCSC)cc1 ZINC000843437351 635676296 /nfs/dbraw/zinc/67/62/96/635676296.db2.gz DHVVJNTZGDBGOM-UHFFFAOYSA-N 1 1 277.433 3.274 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)CCCCCCNC(=O)OC(C)(C)C ZINC000844325518 635871236 /nfs/dbraw/zinc/87/12/36/635871236.db2.gz YVYXCTRKLNYHCU-CQSZACIVSA-N 1 1 282.428 3.025 20 30 CGEDMO C[N@@H+](CCSC(C)(C)C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844371448 635882308 /nfs/dbraw/zinc/88/23/08/635882308.db2.gz OOEJQLKIDXXSEA-OAHLLOKOSA-N 1 1 292.448 3.055 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@@H](c2cc(C(C)C)n[nH]2)C1 ZINC000879919782 635882467 /nfs/dbraw/zinc/88/24/67/635882467.db2.gz TUOGHMBUCNBZEG-CQSZACIVSA-N 1 1 259.397 3.126 20 30 CGEDMO CC#CCC[N@@H+]1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000879919782 635882470 /nfs/dbraw/zinc/88/24/70/635882470.db2.gz TUOGHMBUCNBZEG-CQSZACIVSA-N 1 1 259.397 3.126 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000879919782 635882476 /nfs/dbraw/zinc/88/24/76/635882476.db2.gz TUOGHMBUCNBZEG-CQSZACIVSA-N 1 1 259.397 3.126 20 30 CGEDMO C=C(C)CCN1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879950745 635885819 /nfs/dbraw/zinc/88/58/19/635885819.db2.gz BCMFACRDMXLLER-UHFFFAOYSA-N 1 1 250.430 3.293 20 30 CGEDMO COc1ccc(N(C)CC[N@@H+](C)CCC(C)(C)C#N)cc1 ZINC000844402461 635891248 /nfs/dbraw/zinc/89/12/48/635891248.db2.gz YCQIMFMHDNEEPD-UHFFFAOYSA-N 1 1 289.423 3.003 20 30 CGEDMO C#CCC[N@@H+]1CCCC[C@@H]1Cc1ccc(OC)cc1 ZINC000844413615 635893674 /nfs/dbraw/zinc/89/36/74/635893674.db2.gz LKLVUAXQQMOVIP-MRXNPFEDSA-N 1 1 257.377 3.116 20 30 CGEDMO Cc1csc([C@H]2CC[N@@H+](CCc3ccc(C#N)cc3)C2)n1 ZINC000880012869 635899670 /nfs/dbraw/zinc/89/96/70/635899670.db2.gz YZOWATDVQKTCIR-INIZCTEOSA-N 1 1 297.427 3.355 20 30 CGEDMO C#CCCCCC[N@@H+]1CC[C@H](c2nc(C)cs2)C1 ZINC000880013877 635899716 /nfs/dbraw/zinc/89/97/16/635899716.db2.gz ZOJASQXZFNJLEM-AWEZNQCLSA-N 1 1 262.422 3.434 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)cc1C#N ZINC000844438047 635901329 /nfs/dbraw/zinc/90/13/29/635901329.db2.gz BFARIXORCJUJQO-OAHLLOKOSA-N 1 1 292.329 3.188 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)ccc1C#N ZINC000844441580 635903525 /nfs/dbraw/zinc/90/35/25/635903525.db2.gz OZWVPIUAZULMFO-HNNXBMFYSA-N 1 1 276.330 3.488 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCCSC[C@H]1c1ccccc1 ZINC000880388675 635991077 /nfs/dbraw/zinc/99/10/77/635991077.db2.gz TXSUVHIVDMVIMN-HOCLYGCPSA-N 1 1 290.432 3.095 20 30 CGEDMO C#CCC1(O)CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000880483925 636008948 /nfs/dbraw/zinc/00/89/48/636008948.db2.gz MWHPEZYMVIKSLW-UHFFFAOYSA-N 1 1 298.213 3.344 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2Cc3ccccc3N3CCC[C@H]3C2)o1 ZINC000880555884 636021337 /nfs/dbraw/zinc/02/13/37/636021337.db2.gz VTPFETKEOLHKRI-HNNXBMFYSA-N 1 1 293.370 3.136 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)OC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000845732541 636089650 /nfs/dbraw/zinc/08/96/50/636089650.db2.gz QWQUINMMDZRHQJ-STQMWFEESA-N 1 1 253.386 3.005 20 30 CGEDMO C#CC[N@H+](CC1(Br)CC1)C1CCCCC1 ZINC000846781748 636239952 /nfs/dbraw/zinc/23/99/52/636239952.db2.gz LECJWXXTBNRBNX-UHFFFAOYSA-N 1 1 270.214 3.182 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccccc2OC2CC2)C1 ZINC000847020499 636312042 /nfs/dbraw/zinc/31/20/42/636312042.db2.gz YPFYZWWWPHZWST-AWEZNQCLSA-N 1 1 255.361 3.073 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000847019644 636313053 /nfs/dbraw/zinc/31/30/53/636313053.db2.gz RZNZOKUWAATPKQ-AWEZNQCLSA-N 1 1 250.345 3.080 20 30 CGEDMO C#C[C@H]1CCC[N@H+](C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000847021807 636313739 /nfs/dbraw/zinc/31/37/39/636313739.db2.gz PPTGEHYWDNNPTM-NHYWBVRUSA-N 1 1 298.213 3.372 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000847022776 636313830 /nfs/dbraw/zinc/31/38/30/636313830.db2.gz XQQXTYKKHIACIP-OAHLLOKOSA-N 1 1 293.370 3.114 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000847022776 636313837 /nfs/dbraw/zinc/31/38/37/636313837.db2.gz XQQXTYKKHIACIP-OAHLLOKOSA-N 1 1 293.370 3.114 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000847022180 636313945 /nfs/dbraw/zinc/31/39/45/636313945.db2.gz SPDHPUMNQWTCAT-CQSZACIVSA-N 1 1 250.345 3.080 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@@H](CCOC)c2ccccc2)C1 ZINC000847022040 636314049 /nfs/dbraw/zinc/31/40/49/636314049.db2.gz RLSHSYUVEGPFHI-RDJZCZTQSA-N 1 1 257.377 3.109 20 30 CGEDMO C#C[C@H]1CCC[N@H+](C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000847023646 636315235 /nfs/dbraw/zinc/31/52/35/636315235.db2.gz NGHYSNUNWDLMAD-WFASDCNBSA-N 1 1 297.320 3.084 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000847026840 636317548 /nfs/dbraw/zinc/31/75/48/636317548.db2.gz HTNCAOLHIWBCND-ZIAGYGMSSA-N 1 1 281.359 3.143 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000847026607 636317706 /nfs/dbraw/zinc/31/77/06/636317706.db2.gz QDNIQDOEWQHNSY-STQMWFEESA-N 1 1 258.321 3.001 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000130937413 636534192 /nfs/dbraw/zinc/53/41/92/636534192.db2.gz OFHDCEMBJNEJHC-UHFFFAOYSA-N 1 1 288.174 3.343 20 30 CGEDMO c1ccc2nc(N=NC3CCC[N@@H+]4CCCC[C@H]34)cnc2c1 ZINC000848403951 636567489 /nfs/dbraw/zinc/56/74/89/636567489.db2.gz GHKCPXKTOMETLP-MRXNPFEDSA-N 1 1 295.390 3.046 20 30 CGEDMO c1ccc2c(c1)cnnc2N=NC1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848399362 636567720 /nfs/dbraw/zinc/56/77/20/636567720.db2.gz OYQPDVXVANXDLD-INIZCTEOSA-N 1 1 295.390 3.046 20 30 CGEDMO C=CCC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000883223499 636595333 /nfs/dbraw/zinc/59/53/33/636595333.db2.gz QHJMWJCRJPKHCQ-DLBZAZTESA-N 1 1 295.430 3.434 20 30 CGEDMO Cc1cscc1-c1noc([C@H]([NH3+])CCCCC#N)n1 ZINC000848628948 636623521 /nfs/dbraw/zinc/62/35/21/636623521.db2.gz ULNLDCYVYINZGC-LLVKDONJSA-N 1 1 276.365 3.190 20 30 CGEDMO C#C[C@H]1CCC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000848924271 636695940 /nfs/dbraw/zinc/69/59/40/636695940.db2.gz OZJMODHYPBEWLQ-BVBGJJFLSA-N 1 1 268.404 3.111 20 30 CGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CC[C@@H]2c2ccc(F)cc2)cc1 ZINC000849326021 636809454 /nfs/dbraw/zinc/80/94/54/636809454.db2.gz ARGLOZJYQQMTCI-MSOLQXFVSA-N 1 1 296.345 3.178 20 30 CGEDMO C[C@@H](CNCc1ccc(C2(C#N)CC2)cc1)[NH+]1CCCCC1 ZINC000850058611 636940062 /nfs/dbraw/zinc/94/00/62/636940062.db2.gz CUKRMXFYFATNHN-INIZCTEOSA-N 1 1 297.446 3.206 20 30 CGEDMO C#Cc1ccc(NC(=O)[C@H]2CCC[N@H+]2C(C)C)c(Cl)c1 ZINC000885667738 637279667 /nfs/dbraw/zinc/27/96/67/637279667.db2.gz LQERGAHYTYEGLR-OAHLLOKOSA-N 1 1 290.794 3.133 20 30 CGEDMO C#Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)c(Cl)c1 ZINC000885667738 637279671 /nfs/dbraw/zinc/27/96/71/637279671.db2.gz LQERGAHYTYEGLR-OAHLLOKOSA-N 1 1 290.794 3.133 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)C[C@H]1C[C@]12CCOC2 ZINC000885932814 637318995 /nfs/dbraw/zinc/31/89/95/637318995.db2.gz CNQRGAPPTNMOPH-HIFRSBDPSA-N 1 1 263.406 3.163 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)C[C@H]1C[C@@]12CCOC2 ZINC000885937578 637320814 /nfs/dbraw/zinc/32/08/14/637320814.db2.gz DCNODRPMZWYGCS-IAGOWNOFSA-N 1 1 257.377 3.101 20 30 CGEDMO C[C@@H](c1ccccc1F)[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000885959030 637332873 /nfs/dbraw/zinc/33/28/73/637332873.db2.gz QUFHKQWWCLBPMS-KBPBESRZSA-N 1 1 290.382 3.263 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1F)C[C@@H]1C[C@@]12CCOC2 ZINC000885963892 637335154 /nfs/dbraw/zinc/33/51/54/637335154.db2.gz RUBAVJYKOYKGOT-DOTOQJQBSA-N 1 1 275.367 3.240 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)C[C@H]1C[C@@]12CCOC2 ZINC000885967399 637336817 /nfs/dbraw/zinc/33/68/17/637336817.db2.gz NUEVXUZUNVWRHH-QZTJIDSGSA-N 1 1 271.404 3.144 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@@H+](CC2CC2)C2CCCCC2)CCC1 ZINC000885984135 637342855 /nfs/dbraw/zinc/34/28/55/637342855.db2.gz XXJLQSKPWISNII-QGZVFWFLSA-N 1 1 290.451 3.476 20 30 CGEDMO CCC[C@]1(C)CCC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886027007 637371541 /nfs/dbraw/zinc/37/15/41/637371541.db2.gz AXCFFWGBLCDARX-JKSUJKDBSA-N 1 1 278.440 3.333 20 30 CGEDMO C=CC[C@@H]1[N@H+](C[C@@H]2C[C@@]23CCOC3)CCCC1(C)C ZINC000886173589 637447929 /nfs/dbraw/zinc/44/79/29/637447929.db2.gz UEHUSWAPYJJYAZ-YQQAZPJKSA-N 1 1 263.425 3.480 20 30 CGEDMO CC(C)(C)C[C@H]1CC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886238724 637467613 /nfs/dbraw/zinc/46/76/13/637467613.db2.gz GVOXOXSLUJIOHD-CABCVRRESA-N 1 1 278.440 3.189 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)[C@@H]1CC[C@@H](OC)C1 ZINC000851738022 637485681 /nfs/dbraw/zinc/48/56/81/637485681.db2.gz UOXNEFAWDJGCEN-IAGOWNOFSA-N 1 1 259.393 3.285 20 30 CGEDMO CC(C)([NH2+]Cc1ccc(C#N)o1)c1ccc(F)cc1F ZINC000886349868 637507696 /nfs/dbraw/zinc/50/76/96/637507696.db2.gz BWMFLHCKPXDNRN-UHFFFAOYSA-N 1 1 276.286 3.454 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2coc(-c3ccccc3F)n2)C1 ZINC000886365144 637514530 /nfs/dbraw/zinc/51/45/30/637514530.db2.gz AVEUSGSBJBESQO-CYBMUJFWSA-N 1 1 284.334 3.326 20 30 CGEDMO C#CCOCC[N@H+](Cc1cccc(C)c1)Cc1ccccn1 ZINC000851845276 637520829 /nfs/dbraw/zinc/52/08/29/637520829.db2.gz MHPOXNZTZGYYLU-UHFFFAOYSA-N 1 1 294.398 3.042 20 30 CGEDMO Cc1ccccc1[C@H](CO)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000886431751 637530139 /nfs/dbraw/zinc/53/01/39/637530139.db2.gz FWRXZTPLCSLBOB-SFHVURJKSA-N 1 1 280.371 3.032 20 30 CGEDMO CO[C@@H]1CC[C@@H]([N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000851885353 637531255 /nfs/dbraw/zinc/53/12/55/637531255.db2.gz GCKMEYIGTFKLLH-QZTJIDSGSA-N 1 1 282.387 3.215 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+]Cc1csc(CCCC)n1 ZINC000852099395 637592004 /nfs/dbraw/zinc/59/20/04/637592004.db2.gz LHMNIRUGEIIUAW-AWEZNQCLSA-N 1 1 250.411 3.377 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+][C@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC000852100071 637594204 /nfs/dbraw/zinc/59/42/04/637594204.db2.gz SUZINYADWSPPAR-DYVFJYSZSA-N 1 1 283.375 3.498 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886617315 637608238 /nfs/dbraw/zinc/60/82/38/637608238.db2.gz KJWCXQSQKZVCIU-SRVKXCTJSA-N 1 1 260.303 3.343 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886686786 637652687 /nfs/dbraw/zinc/65/26/87/637652687.db2.gz XPNVOTQNEOKBOT-PBHICJAKSA-N 1 1 292.386 3.289 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OCC#N)cc1)C(C)(C)C ZINC000852554143 637677554 /nfs/dbraw/zinc/67/75/54/637677554.db2.gz CXZYGGHONIFZPG-UHFFFAOYSA-N 1 1 258.365 3.375 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(-n2ccnc2)nc1)C(C)(C)C ZINC000852554748 637678820 /nfs/dbraw/zinc/67/88/20/637678820.db2.gz VNDKQJONTHAWMX-UHFFFAOYSA-N 1 1 270.380 3.054 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886818136 637704094 /nfs/dbraw/zinc/70/40/94/637704094.db2.gz ATJDMMRUOMPDHW-HUUCEWRRSA-N 1 1 264.413 3.207 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1cc2ccccc2s1 ZINC000852751000 637706543 /nfs/dbraw/zinc/70/65/43/637706543.db2.gz MDKLGPGHZCMVBY-UHFFFAOYSA-N 1 1 273.401 3.373 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)c(Cl)c1 ZINC000886819623 637706695 /nfs/dbraw/zinc/70/66/95/637706695.db2.gz UVGQVSISIHEQAC-HOCLYGCPSA-N 1 1 290.794 3.213 20 30 CGEDMO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc2c(c1)CCCO2 ZINC000852780692 637710991 /nfs/dbraw/zinc/71/09/91/637710991.db2.gz AVOYJWFBGKQGAH-ZIAGYGMSSA-N 1 1 283.375 3.106 20 30 CGEDMO N#CCCC[N@H+]1Cc2ccccc2OC2(CCC2)C1 ZINC000887149918 637763434 /nfs/dbraw/zinc/76/34/34/637763434.db2.gz PINHVYZDAWDFDH-UHFFFAOYSA-N 1 1 256.349 3.107 20 30 CGEDMO C#CCSCCNc1cc(C(F)(F)F)cc(C)[nH+]1 ZINC000853364991 637825499 /nfs/dbraw/zinc/82/54/99/637825499.db2.gz NRCCXLBRIPMKTK-UHFFFAOYSA-N 1 1 274.311 3.187 20 30 CGEDMO Clc1ccc(N=NC2CCC[N@H+]3CCCC[C@H]23)nc1 ZINC000853435434 637840999 /nfs/dbraw/zinc/84/09/99/637840999.db2.gz OVVFMGNKTFAFHA-CYBMUJFWSA-N 1 1 278.787 3.151 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cn2ccc(-c3ccsc3)n2)C1 ZINC000853523154 637861647 /nfs/dbraw/zinc/86/16/47/637861647.db2.gz AWKDZEAPMIKHKP-CYBMUJFWSA-N 1 1 286.404 3.195 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cn2ccc(-c3ccsc3)n2)C1 ZINC000853523154 637861651 /nfs/dbraw/zinc/86/16/51/637861651.db2.gz AWKDZEAPMIKHKP-CYBMUJFWSA-N 1 1 286.404 3.195 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000853526587 637861969 /nfs/dbraw/zinc/86/19/69/637861969.db2.gz UFOUCHINQDOZKI-ZDUSSCGKSA-N 1 1 270.376 3.007 20 30 CGEDMO CC(C)CC[N@@H+](CCO[C@H](C)C#N)C1CCCC1 ZINC000302429112 637899417 /nfs/dbraw/zinc/89/94/17/637899417.db2.gz RZWOCLCXOOIINI-CQSZACIVSA-N 1 1 252.402 3.206 20 30 CGEDMO CC(C)CC[N@@H+](CCO[C@@H](C)C#N)C1CCCC1 ZINC000302429111 637899670 /nfs/dbraw/zinc/89/96/70/637899670.db2.gz RZWOCLCXOOIINI-AWEZNQCLSA-N 1 1 252.402 3.206 20 30 CGEDMO CO[C@@H](C)c1nc(C[NH2+][C@@H](C)CC(C)(C)C#N)cs1 ZINC000925238089 638482491 /nfs/dbraw/zinc/48/24/91/638482491.db2.gz SANTWJCOUQPVJV-QWRGUYRKSA-N 1 1 281.425 3.268 20 30 CGEDMO C=CC[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1ccncc1 ZINC000857854146 638578966 /nfs/dbraw/zinc/57/89/66/638578966.db2.gz CRQZOBLOLJXERK-GJZGRUSLSA-N 1 1 268.364 3.089 20 30 CGEDMO N#CCC[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1ccccc1 ZINC000857857102 638579902 /nfs/dbraw/zinc/57/99/02/638579902.db2.gz AAKAZNHXDKYNOG-HOTGVXAUSA-N 1 1 280.375 3.422 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858017564 638620411 /nfs/dbraw/zinc/62/04/11/638620411.db2.gz QVDRXYBTPUOKHU-INIZCTEOSA-N 1 1 272.392 3.378 20 30 CGEDMO C#CCOc1ccc(C[NH2+][C@@H]2CCCc3oc(C)nc32)cc1 ZINC000926530806 638781833 /nfs/dbraw/zinc/78/18/33/638781833.db2.gz PVEXQFIEDWDNPN-MRXNPFEDSA-N 1 1 296.370 3.162 20 30 CGEDMO N#CC1(CN[C@H]2CCC[N@@H+]3CCCC[C@H]23)CCCCC1 ZINC000926711381 638802283 /nfs/dbraw/zinc/80/22/83/638802283.db2.gz MWMUQBMWZMHYCM-JKSUJKDBSA-N 1 1 275.440 3.067 20 30 CGEDMO N#CC1(CN[C@H]2CCC[N@H+]3CCCC[C@H]23)CCCCC1 ZINC000926711381 638802286 /nfs/dbraw/zinc/80/22/86/638802286.db2.gz MWMUQBMWZMHYCM-JKSUJKDBSA-N 1 1 275.440 3.067 20 30 CGEDMO C=CCn1ncc2ccc(N[C@@H]3C[C@@H](C)[N@H+](C4CC4)C3)cc21 ZINC000927068875 638837717 /nfs/dbraw/zinc/83/77/17/638837717.db2.gz ZNFLPZMBEFGUJF-CZUORRHYSA-N 1 1 296.418 3.259 20 30 CGEDMO C[C@@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1ccc(C#N)cc1 ZINC000927112104 638843344 /nfs/dbraw/zinc/84/33/44/638843344.db2.gz IWJMPUSNGYQSTG-GFCCVEGCSA-N 1 1 280.375 3.020 20 30 CGEDMO CCc1onc(C)c1C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000927138181 638846744 /nfs/dbraw/zinc/84/67/44/638846744.db2.gz DCWRRWINRKJJMR-SNVBAGLBSA-N 1 1 287.338 3.407 20 30 CGEDMO CCc1ccc(C[N@@H+](C)Cc2cncc(C#N)c2)cc1 ZINC000929210107 638908848 /nfs/dbraw/zinc/90/88/48/638908848.db2.gz KEYXZFDDXMSUNK-UHFFFAOYSA-N 1 1 265.360 3.148 20 30 CGEDMO CC[N@H+](Cc1c(C)cc(C#N)cc1C)C[C@@H]1CCOC1 ZINC000929286918 638915702 /nfs/dbraw/zinc/91/57/02/638915702.db2.gz KEZDWOHYDJWPAQ-HNNXBMFYSA-N 1 1 272.392 3.034 20 30 CGEDMO C=CC[N@H+](C/C=C(\C)COC)Cc1ccc(OC)cc1 ZINC000929315609 638918026 /nfs/dbraw/zinc/91/80/26/638918026.db2.gz AVEFOZRDKJSFHK-XNTDXEJSSA-N 1 1 275.392 3.276 20 30 CGEDMO CC[N@@H+](C/C(C)=C\C(=O)OC)[C@H](C)c1ccc(C#N)cc1 ZINC000929334276 638919377 /nfs/dbraw/zinc/91/93/77/638919377.db2.gz VAUKRIQISZMMHT-QLKUMGTLSA-N 1 1 286.375 3.060 20 30 CGEDMO CC[N@@H+](C/C(C)=C/C(=O)OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000929334277 638919514 /nfs/dbraw/zinc/91/95/14/638919514.db2.gz VAUKRIQISZMMHT-UELRPHRMSA-N 1 1 286.375 3.060 20 30 CGEDMO C[C@H]1C[N@@H+](CCCCC2(C#N)CCC2)CC(C)(C)O1 ZINC000929348106 638920499 /nfs/dbraw/zinc/92/04/99/638920499.db2.gz NUPVOYGGXBSGAJ-AWEZNQCLSA-N 1 1 264.413 3.350 20 30 CGEDMO Cc1cccc(C[NH+]2CCC(C#N)CC2)c1Br ZINC000929414721 638924166 /nfs/dbraw/zinc/92/41/66/638924166.db2.gz GTYAGTRDLFAIQZ-UHFFFAOYSA-N 1 1 293.208 3.493 20 30 CGEDMO C[C@@H](O)C[N@@H+](CC1CCC(C#N)CC1)C1CCCCC1 ZINC000929530597 638931042 /nfs/dbraw/zinc/93/10/42/638931042.db2.gz LPZGFQZRRKICDQ-QQFBHYJXSA-N 1 1 278.440 3.332 20 30 CGEDMO C=C1CC[NH+](C[C@H]2CCC[C@H](C(F)(F)F)O2)CC1 ZINC000929602828 638933504 /nfs/dbraw/zinc/93/35/04/638933504.db2.gz DEAZJJQKZOBMHT-VXGBXAGGSA-N 1 1 263.303 3.138 20 30 CGEDMO COC[C@@H]1CCC[N@@H+](Cc2c(C)cc(C#N)cc2C)C1 ZINC000929634865 638935874 /nfs/dbraw/zinc/93/58/74/638935874.db2.gz JLIFBXLHBPLUND-OAHLLOKOSA-N 1 1 272.392 3.034 20 30 CGEDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000929684638 638940925 /nfs/dbraw/zinc/94/09/25/638940925.db2.gz JKQNOZRJOXMDEK-HOTGVXAUSA-N 1 1 278.440 3.476 20 30 CGEDMO C[C@@H](c1ccccc1)[N@@H+](C[C@H](O)CC#N)CC1CCC1 ZINC000929699352 638942521 /nfs/dbraw/zinc/94/25/21/638942521.db2.gz LUPSITXJTQOGJT-WMLDXEAASA-N 1 1 272.392 3.124 20 30 CGEDMO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2cncc(C#N)c2)C1 ZINC000929751355 638946956 /nfs/dbraw/zinc/94/69/56/638946956.db2.gz TVHOJXKUYYHHHV-GJZGRUSLSA-N 1 1 275.421 3.059 20 30 CGEDMO CC[N@@H+]1CC[C@H](N(C)Cc2c(C)cc(C#N)cc2C)C[C@@H]1C ZINC000929780067 638950541 /nfs/dbraw/zinc/95/05/41/638950541.db2.gz KBKIYNBCSOTTIW-WMZOPIPTSA-N 1 1 299.462 3.480 20 30 CGEDMO CC[N@H+]1CC[C@H](N(C)Cc2c(C)cc(C#N)cc2C)C[C@@H]1C ZINC000929780067 638950542 /nfs/dbraw/zinc/95/05/42/638950542.db2.gz KBKIYNBCSOTTIW-WMZOPIPTSA-N 1 1 299.462 3.480 20 30 CGEDMO CCN1CC[C@H]([N@H+](C)Cc2c(C)cc(C#N)cc2C)C[C@@H]1C ZINC000929780067 638950544 /nfs/dbraw/zinc/95/05/44/638950544.db2.gz KBKIYNBCSOTTIW-WMZOPIPTSA-N 1 1 299.462 3.480 20 30 CGEDMO CCN1CC[C@H]([N@@H+](C)Cc2c(C)cc(C#N)cc2C)C[C@@H]1C ZINC000929780067 638950546 /nfs/dbraw/zinc/95/05/46/638950546.db2.gz KBKIYNBCSOTTIW-WMZOPIPTSA-N 1 1 299.462 3.480 20 30 CGEDMO COC(C)(C)C[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000929831047 638955181 /nfs/dbraw/zinc/95/51/81/638955181.db2.gz MDPDYZKHVZNNJF-UHFFFAOYSA-N 1 1 266.772 3.068 20 30 CGEDMO COC(C)(C)C[N@@H+](C)Cc1c(C)cc(C#N)cc1C ZINC000929830268 638955183 /nfs/dbraw/zinc/95/51/83/638955183.db2.gz CUPFAXHGPZLRFD-UHFFFAOYSA-N 1 1 260.381 3.032 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000929991830 638966659 /nfs/dbraw/zinc/96/66/59/638966659.db2.gz KHQUEDDYOYQQPT-INIZCTEOSA-N 1 1 294.402 3.278 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000930072735 638972272 /nfs/dbraw/zinc/97/22/72/638972272.db2.gz VEWBRKJFTOCWSG-SJORKVTESA-N 1 1 284.403 3.034 20 30 CGEDMO C[C@@H](O)C[C@@H]1CCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000930081243 638972811 /nfs/dbraw/zinc/97/28/11/638972811.db2.gz ITSMBHOJPRELIU-CABCVRRESA-N 1 1 264.413 3.086 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCC[C@H]2c2cc[nH]n2)CCC1 ZINC000930264900 638987061 /nfs/dbraw/zinc/98/70/61/638987061.db2.gz TZNORUIDUXXUGY-HNNXBMFYSA-N 1 1 272.396 3.411 20 30 CGEDMO CC(C)C[C@]1(C)CCC[N@H+]1Cc1cncc(C#N)c1 ZINC000930607302 639037567 /nfs/dbraw/zinc/03/75/67/639037567.db2.gz GIWAMRVCCTXSNH-INIZCTEOSA-N 1 1 257.381 3.354 20 30 CGEDMO C=CC[N@@H+](Cc1cc(Cl)cc(C#N)c1)[C@@H](C)COC ZINC000930932909 639088391 /nfs/dbraw/zinc/08/83/91/639088391.db2.gz OAMADWJPBITSNV-LBPRGKRZSA-N 1 1 278.783 3.235 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2nc(C(C)C)ns2)C1 ZINC000930962665 639090817 /nfs/dbraw/zinc/09/08/17/639090817.db2.gz PAZGNODWYSRLBH-LBPRGKRZSA-N 1 1 265.426 3.450 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2nc(C(C)C)ns2)C1 ZINC000930962665 639090820 /nfs/dbraw/zinc/09/08/20/639090820.db2.gz PAZGNODWYSRLBH-LBPRGKRZSA-N 1 1 265.426 3.450 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCC[C@@H](C3CCC3)CC2)c1 ZINC000931506778 639161817 /nfs/dbraw/zinc/16/18/17/639161817.db2.gz CXKGLWBSQPNUON-QGZVFWFLSA-N 1 1 269.392 3.355 20 30 CGEDMO C#CCC[N@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC000859766999 639210169 /nfs/dbraw/zinc/21/01/69/639210169.db2.gz OOHUDZWRJQQYGU-UHFFFAOYSA-N 1 1 253.267 3.087 20 30 CGEDMO C#CCC[N@@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC000859766999 639210173 /nfs/dbraw/zinc/21/01/73/639210173.db2.gz OOHUDZWRJQQYGU-UHFFFAOYSA-N 1 1 253.267 3.087 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CC[C@@H](c2ccc(F)cc2)C1(C)C ZINC000859805169 639220157 /nfs/dbraw/zinc/22/01/57/639220157.db2.gz LOHHDSSQJUPXMA-CJNGLKHVSA-N 1 1 290.382 3.322 20 30 CGEDMO COc1ccc([C@H](C)C[N@@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000932150308 639276906 /nfs/dbraw/zinc/27/69/06/639276906.db2.gz BEQFHHDNDJEMQV-KGLIPLIRSA-N 1 1 258.365 3.034 20 30 CGEDMO COc1ccc([C@H](C)C[N@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000932150308 639276912 /nfs/dbraw/zinc/27/69/12/639276912.db2.gz BEQFHHDNDJEMQV-KGLIPLIRSA-N 1 1 258.365 3.034 20 30 CGEDMO CC(C)(C)OC[C@H]1CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000932163206 639280988 /nfs/dbraw/zinc/28/09/88/639280988.db2.gz KDVCUJLUYNHNAY-OAHLLOKOSA-N 1 1 290.382 3.477 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](Cc3nccs3)C2)o1 ZINC000932195713 639294153 /nfs/dbraw/zinc/29/41/53/639294153.db2.gz HVEIOBJVPLVDGH-LBPRGKRZSA-N 1 1 287.388 3.062 20 30 CGEDMO C=CCOCC[N@H+](Cc1nc2ccccc2s1)C1CC1 ZINC000932396411 639323947 /nfs/dbraw/zinc/32/39/47/639323947.db2.gz BAQFVXIOZKYMFD-UHFFFAOYSA-N 1 1 288.416 3.463 20 30 CGEDMO C=CCOCC[N@@H+](Cc1nc2ccccc2s1)C1CC1 ZINC000932396411 639323951 /nfs/dbraw/zinc/32/39/51/639323951.db2.gz BAQFVXIOZKYMFD-UHFFFAOYSA-N 1 1 288.416 3.463 20 30 CGEDMO C#CC[N@@H+](C[C@H]1CCCN(C(=O)C(C)(C)C)C1)C(C)(C)C ZINC000932461855 639337816 /nfs/dbraw/zinc/33/78/16/639337816.db2.gz KGZGPUIUADNPMQ-HNNXBMFYSA-N 1 1 292.467 3.005 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933081143 639413125 /nfs/dbraw/zinc/41/31/25/639413125.db2.gz GJKFJDICEDIDIL-QGZVFWFLSA-N 1 1 284.403 3.197 20 30 CGEDMO C=CC[C@@H](CCc1ccccc1)OC(=O)Cn1c[nH+]cc1C ZINC000860733220 639413627 /nfs/dbraw/zinc/41/36/27/639413627.db2.gz HDXMMQVSJHQJBH-KRWDZBQOSA-N 1 1 298.386 3.312 20 30 CGEDMO C#CC[N@@H+](Cc1nccnc1C)[C@@H]1CCCc2ccccc21 ZINC000933417040 639448535 /nfs/dbraw/zinc/44/85/35/639448535.db2.gz DYRLBFJZFBSWIF-LJQANCHMSA-N 1 1 291.398 3.298 20 30 CGEDMO C#CC[N@H+](Cc1nccnc1C)[C@@H]1CCCc2ccccc21 ZINC000933417040 639448539 /nfs/dbraw/zinc/44/85/39/639448539.db2.gz DYRLBFJZFBSWIF-LJQANCHMSA-N 1 1 291.398 3.298 20 30 CGEDMO COc1ccc(C[N@H+](C)Cc2cc(C#N)cs2)cc1C#N ZINC000933774295 639489177 /nfs/dbraw/zinc/48/91/77/639489177.db2.gz NJFOMDORVBQRCH-UHFFFAOYSA-N 1 1 297.383 3.132 20 30 CGEDMO COc1ccc(C[N@@H+](C)Cc2cc(C#N)cs2)cc1C#N ZINC000933774295 639489181 /nfs/dbraw/zinc/48/91/81/639489181.db2.gz NJFOMDORVBQRCH-UHFFFAOYSA-N 1 1 297.383 3.132 20 30 CGEDMO C[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)[C@@H]1CC[C@H](C#N)C1 ZINC000934415207 639605214 /nfs/dbraw/zinc/60/52/14/639605214.db2.gz MWOJMRIBKOZTMT-XJKSGUPXSA-N 1 1 280.375 3.201 20 30 CGEDMO C=CCCCC[N@@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC000934492482 639621629 /nfs/dbraw/zinc/62/16/29/639621629.db2.gz NXIVZURMSHPBRX-HNNXBMFYSA-N 1 1 271.408 3.222 20 30 CGEDMO C=CCCC[N@H+](CC)C[C@@H](O)c1ccc(F)cc1 ZINC000934651751 639649937 /nfs/dbraw/zinc/64/99/37/639649937.db2.gz UFKQGPXYYROHAG-OAHLLOKOSA-N 1 1 251.345 3.147 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1cnc(C(=O)OCC)s1 ZINC000934647649 639650729 /nfs/dbraw/zinc/65/07/29/639650729.db2.gz QWUBIGMUIFYEQW-UHFFFAOYSA-N 1 1 282.409 3.108 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000934831432 639683216 /nfs/dbraw/zinc/68/32/16/639683216.db2.gz IOXAHKDAZLYQGQ-QZTJIDSGSA-N 1 1 284.403 3.197 20 30 CGEDMO N#CCC[N@H+](Cc1cc2c(cc1O)CCCC2)CC1CC1 ZINC000160138871 640092397 /nfs/dbraw/zinc/09/23/97/640092397.db2.gz HUSYRUFMJZDJSV-UHFFFAOYSA-N 1 1 284.403 3.397 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCSCC[C@@H]2C)cc1 ZINC000191814561 640331988 /nfs/dbraw/zinc/33/19/88/640331988.db2.gz PDNFHZQMXHXQNJ-AWEZNQCLSA-N 1 1 275.417 3.026 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000247565694 640727908 /nfs/dbraw/zinc/72/79/08/640727908.db2.gz RZSKVBPMNBZKEO-XYVMCAHJSA-N 1 1 289.419 3.164 20 30 CGEDMO CC[C@H](C)c1ccc(NC(=[NH2+])NCC(C)(C)N(C)C)cc1 ZINC000303779395 640842911 /nfs/dbraw/zinc/84/29/11/640842911.db2.gz KNCYQNKYCISSFH-ZDUSSCGKSA-N 1 1 290.455 3.267 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](NC(=O)c2ccc(CCC)s2)C1 ZINC001007430819 640942680 /nfs/dbraw/zinc/94/26/80/640942680.db2.gz BNWRTIOXJNCIOV-ZDUSSCGKSA-N 1 1 292.448 3.081 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CCC)s2)C1 ZINC001007430819 640942683 /nfs/dbraw/zinc/94/26/83/640942683.db2.gz BNWRTIOXJNCIOV-ZDUSSCGKSA-N 1 1 292.448 3.081 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2c(C)cccc2C)C1 ZINC001008633539 640953208 /nfs/dbraw/zinc/95/32/08/640953208.db2.gz URZYECRFTUYRHD-MRXNPFEDSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C(C)C)oc2C)C1 ZINC001009047466 640954843 /nfs/dbraw/zinc/95/48/43/640954843.db2.gz VPVSFHFJCVCLBI-AWEZNQCLSA-N 1 1 290.407 3.092 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2sccc2CC)C1 ZINC001009616447 640960754 /nfs/dbraw/zinc/96/07/54/640960754.db2.gz GMZNYURVMVUTJT-AWEZNQCLSA-N 1 1 292.448 3.081 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CC2=CCCCC2)C1 ZINC001010383360 640967344 /nfs/dbraw/zinc/96/73/44/640967344.db2.gz VGTGLZAZHHLWQZ-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cc3cccc(C)c3o2)C1 ZINC001016343773 640995733 /nfs/dbraw/zinc/99/57/33/640995733.db2.gz NDDZAGXYQFRPIS-OAHLLOKOSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[C@@H](C)C1 ZINC001017821644 641017542 /nfs/dbraw/zinc/01/75/42/641017542.db2.gz DPRDIJGBNSBWKU-VQHPVUNQSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[C@H]1CC ZINC001018120497 641019928 /nfs/dbraw/zinc/01/99/28/641019928.db2.gz UPJFSRALIMPFIG-NCOADZHNSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[C@H]1CC ZINC001018120497 641019934 /nfs/dbraw/zinc/01/99/34/641019934.db2.gz UPJFSRALIMPFIG-NCOADZHNSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCCC1(C)C ZINC001018323463 641022202 /nfs/dbraw/zinc/02/22/02/641022202.db2.gz AIEOEXCJCQRARF-XHSDSOJGSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCCC1(C)C ZINC001018323463 641022205 /nfs/dbraw/zinc/02/22/05/641022205.db2.gz AIEOEXCJCQRARF-XHSDSOJGSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC1(CC(=O)NC[C@@H](C)[N@@H+](CC)CCF)CCCCC1 ZINC001155776206 805610749 /nfs/dbraw/zinc/61/07/49/805610749.db2.gz CGSLXGZNOZXDLQ-OAHLLOKOSA-N 1 1 298.446 3.309 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)CC[C@@H](C)CC ZINC001155958253 805629280 /nfs/dbraw/zinc/62/92/80/805629280.db2.gz QYIMZDRIDJZSCC-LSDHHAIUSA-N 1 1 268.445 3.215 20 30 CGEDMO Cc1ccc(CC#N)c(N(C)CC/C=C/c2cccnc2)[nH+]1 ZINC001155977586 805635111 /nfs/dbraw/zinc/63/51/11/805635111.db2.gz VUKYULUHMXJVSD-ZZXKWVIFSA-N 1 1 292.386 3.391 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)CCC ZINC001156046647 805646209 /nfs/dbraw/zinc/64/62/09/805646209.db2.gz RLRTWJDKZTXGEQ-KGLIPLIRSA-N 1 1 288.863 3.392 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)CCC ZINC001156046647 805646213 /nfs/dbraw/zinc/64/62/13/805646213.db2.gz RLRTWJDKZTXGEQ-KGLIPLIRSA-N 1 1 288.863 3.392 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](CC)C(C)(C)C ZINC001156319200 805674867 /nfs/dbraw/zinc/67/48/67/805674867.db2.gz PVLOUQUDVHSCOD-HZPDHXFCSA-N 1 1 294.483 3.299 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)CCC(C)(C)C ZINC001156403607 805684626 /nfs/dbraw/zinc/68/46/26/805684626.db2.gz JWZLOQSDXZQKAB-HZPDHXFCSA-N 1 1 294.483 3.299 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)CCCCCC ZINC001156717342 805727585 /nfs/dbraw/zinc/72/75/85/805727585.db2.gz FSKBCEGZKBHYSG-OAHLLOKOSA-N 1 1 268.445 3.360 20 30 CGEDMO Cc1ccc(CC#N)c(N(C)Cc2ccc(N(C)C)cc2)[nH+]1 ZINC001156921097 805752751 /nfs/dbraw/zinc/75/27/51/805752751.db2.gz SKMZSBFJLSWOAQ-UHFFFAOYSA-N 1 1 294.402 3.159 20 30 CGEDMO C[NH+](C)Cc1ccc2nc(-c3ccc(F)cc3C#N)[nH]c2c1 ZINC001250935520 805803651 /nfs/dbraw/zinc/80/36/51/805803651.db2.gz IZMZIXUQTZGLQD-UHFFFAOYSA-N 1 1 294.333 3.302 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCCC ZINC001157555662 805834997 /nfs/dbraw/zinc/83/49/97/805834997.db2.gz TYRKPAFNDLWJFB-MRXNPFEDSA-N 1 1 280.456 3.456 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)SC ZINC001157578453 805837729 /nfs/dbraw/zinc/83/77/29/805837729.db2.gz RMJWPWXNQHZUNR-LSDHHAIUSA-N 1 1 298.496 3.017 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)CCC1CC1 ZINC001157722914 805858709 /nfs/dbraw/zinc/85/87/09/805858709.db2.gz NCAMWRLAOYQRMS-OAHLLOKOSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CCC1CC1 ZINC001157722914 805858718 /nfs/dbraw/zinc/85/87/18/805858718.db2.gz NCAMWRLAOYQRMS-OAHLLOKOSA-N 1 1 298.858 3.242 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)/C=C(\C)CC ZINC001157930586 805905389 /nfs/dbraw/zinc/90/53/89/805905389.db2.gz KRIXKZBGKCKRTO-QJPKHSJYSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C[N@H+](C)C(C)C ZINC001157994140 805911868 /nfs/dbraw/zinc/91/18/68/805911868.db2.gz IQLASVBSKOYDPH-QGZVFWFLSA-N 1 1 292.467 3.476 20 30 CGEDMO C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)C(CC)CC ZINC001158155273 805924862 /nfs/dbraw/zinc/92/48/62/805924862.db2.gz MLUXMHIJSNHARI-NVXWUHKLSA-N 1 1 292.467 3.005 20 30 CGEDMO C#CCCCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC=C ZINC001158336054 805941128 /nfs/dbraw/zinc/94/11/28/805941128.db2.gz FPOPAJHWQVTLBW-QGZVFWFLSA-N 1 1 290.451 3.069 20 30 CGEDMO CCCCCCC[N@@H+](C)C[C@@H](O)COc1ccc(F)cc1 ZINC001251928305 805953668 /nfs/dbraw/zinc/95/36/68/805953668.db2.gz SLKVNDYGIGXPDR-MRXNPFEDSA-N 1 1 297.414 3.468 20 30 CGEDMO C=CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC=C ZINC001158426912 805953976 /nfs/dbraw/zinc/95/39/76/805953976.db2.gz RFUFDKCPRAQFBA-MRXNPFEDSA-N 1 1 278.440 3.232 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+]1CCC(=O)C[C@H]1C ZINC001252123544 806010348 /nfs/dbraw/zinc/01/03/48/806010348.db2.gz IXKFBWVQBHTGRV-GDBMZVCRSA-N 1 1 269.429 3.151 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCC(=O)C[C@H]1C ZINC001252123544 806010358 /nfs/dbraw/zinc/01/03/58/806010358.db2.gz IXKFBWVQBHTGRV-GDBMZVCRSA-N 1 1 269.429 3.151 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCN2CCCC[C@@H]2C1 ZINC001252128185 806013940 /nfs/dbraw/zinc/01/39/40/806013940.db2.gz JYKGPIIVIAPIMR-MSOLQXFVSA-N 1 1 296.499 3.268 20 30 CGEDMO CCCCCCCC[C@H](O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001252128185 806013948 /nfs/dbraw/zinc/01/39/48/806013948.db2.gz JYKGPIIVIAPIMR-MSOLQXFVSA-N 1 1 296.499 3.268 20 30 CGEDMO CCCCCCCC[C@H](O)CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC001252128185 806013958 /nfs/dbraw/zinc/01/39/58/806013958.db2.gz JYKGPIIVIAPIMR-MSOLQXFVSA-N 1 1 296.499 3.268 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCCCC12COC2 ZINC001252130144 806014684 /nfs/dbraw/zinc/01/46/84/806014684.db2.gz LZONBFYXZWDCRU-INIZCTEOSA-N 1 1 283.456 3.353 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCOC[C@H]1CC ZINC001252129817 806016480 /nfs/dbraw/zinc/01/64/80/806016480.db2.gz FGHPSADDGZZJCP-CVEARBPZSA-N 1 1 271.445 3.209 20 30 CGEDMO CCCCCCCC[C@H](O)C[NH2+]C1CCN(CC)CC1 ZINC001252136080 806022451 /nfs/dbraw/zinc/02/24/51/806022451.db2.gz LYGJDBFDPVWVTF-KRWDZBQOSA-N 1 1 284.488 3.172 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC=CCC2)CC1 ZINC001159233184 806063891 /nfs/dbraw/zinc/06/38/91/806063891.db2.gz WDBAUROMDSKFSE-QGZVFWFLSA-N 1 1 288.435 3.057 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+]1CCC[C@@H](CCc2ccccc2)C1 ZINC001252558724 806064153 /nfs/dbraw/zinc/06/41/53/806064153.db2.gz YZRLJWHXIZQTOD-ZWKOTPCHSA-N 1 1 273.420 3.268 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001252556004 806064333 /nfs/dbraw/zinc/06/43/33/806064333.db2.gz AFNTUPKJXBBNMH-UKRRQHHQSA-N 1 1 299.336 3.432 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC001252560168 806066527 /nfs/dbraw/zinc/06/65/27/806066527.db2.gz OLRCAPQTEGEXSD-NVXWUHKLSA-N 1 1 285.391 3.027 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1c1ccccc1F ZINC001252599914 806081626 /nfs/dbraw/zinc/08/16/26/806081626.db2.gz OIQGOKPKOBYNSF-CJNGLKHVSA-N 1 1 263.356 3.290 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](CC)Cc1ccc(C)c(C)c1 ZINC001252602359 806081994 /nfs/dbraw/zinc/08/19/94/806081994.db2.gz RBIJJQITIYGDCG-KRWDZBQOSA-N 1 1 261.409 3.452 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC001252603342 806082433 /nfs/dbraw/zinc/08/24/33/806082433.db2.gz TWODGKHIJRJQAV-FUHWJXTLSA-N 1 1 291.410 3.407 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H](C)CCC)CC1 ZINC001159607541 806131044 /nfs/dbraw/zinc/13/10/44/806131044.db2.gz VOBNIHKJAQRQME-OAHLLOKOSA-N 1 1 278.440 3.137 20 30 CGEDMO CCCCCCCCC[NH2+]C[C@@H](O)CN(CC)CC ZINC001253206724 806182822 /nfs/dbraw/zinc/18/28/22/806182822.db2.gz RLWRYAPUPQQATR-MRXNPFEDSA-N 1 1 272.477 3.029 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001253234847 806188294 /nfs/dbraw/zinc/18/82/94/806188294.db2.gz GDKUDPFQDZGWNB-FZKCQIBNSA-N 1 1 269.404 3.164 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CCn2cccc2C1 ZINC001253239871 806190048 /nfs/dbraw/zinc/19/00/48/806190048.db2.gz UUNLWASYKNXNRK-KRWDZBQOSA-N 1 1 276.424 3.191 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCn2cccc2C1 ZINC001253239871 806190051 /nfs/dbraw/zinc/19/00/51/806190051.db2.gz UUNLWASYKNXNRK-KRWDZBQOSA-N 1 1 276.424 3.191 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCC[C@]12CCOC2 ZINC001253240278 806190833 /nfs/dbraw/zinc/19/08/33/806190833.db2.gz IPEWTLIDLNRQGC-IAGOWNOFSA-N 1 1 281.440 3.129 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCc2ncccc2C1 ZINC001253238095 806188841 /nfs/dbraw/zinc/18/88/41/806188841.db2.gz AMZUWUUYEVDDIQ-KRWDZBQOSA-N 1 1 288.435 3.327 20 30 CGEDMO C=CC(C)(C)CC(=O)NCCC1=CC[N@@H+](CC(=C)C)CC1 ZINC001160242503 806240417 /nfs/dbraw/zinc/24/04/17/806240417.db2.gz UUXIRILFIJAARC-UHFFFAOYSA-N 1 1 290.451 3.303 20 30 CGEDMO C=C(C)CCC(=O)NCCC1=CC[N@@H+](CCC2CC2)CC1 ZINC001160264052 806245455 /nfs/dbraw/zinc/24/54/55/806245455.db2.gz ACJFAAPWJVZSDN-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=C[C@@H](O)C[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC001253586443 806265818 /nfs/dbraw/zinc/26/58/18/806265818.db2.gz MGCAJNAHGKDNSN-ZIAGYGMSSA-N 1 1 251.757 3.024 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)C[C@H]2CC=CCC2)CC1 ZINC001160882345 806316230 /nfs/dbraw/zinc/31/62/30/806316230.db2.gz LLXBPMRIMZZFLG-KRWDZBQOSA-N 1 1 288.435 3.057 20 30 CGEDMO C=CC(C)(C)C(=O)NCCC1=CC[N@@H+](CC=C(C)C)CC1 ZINC001160888379 806316448 /nfs/dbraw/zinc/31/64/48/806316448.db2.gz UGFAEHPZVDUBBO-UHFFFAOYSA-N 1 1 290.451 3.303 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)C2(CC)CCC2)CC1 ZINC001160942528 806326968 /nfs/dbraw/zinc/32/69/68/806326968.db2.gz ZYWLOHZMBRKJGO-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1cc2cc(OC)ccc2cn1 ZINC001160953774 806328523 /nfs/dbraw/zinc/32/85/23/806328523.db2.gz JQEPZEHLKBIUBJ-INIZCTEOSA-N 1 1 297.402 3.306 20 30 CGEDMO C[N@H+]1CCC[C@@H]1CCNc1nc(Cl)cc(Cl)c1C#N ZINC001160968455 806330656 /nfs/dbraw/zinc/33/06/56/806330656.db2.gz NQNKGVFMTSTRQJ-SECBINFHSA-N 1 1 299.205 3.156 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OC)c(OCCC)c1)CC1CC1 ZINC001254039903 806333601 /nfs/dbraw/zinc/33/36/01/806333601.db2.gz JJZYTRIMBIZNRL-UHFFFAOYSA-N 1 1 287.403 3.329 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H](C)[C@@H](C)CC)CC1 ZINC001161605041 806397537 /nfs/dbraw/zinc/39/75/37/806397537.db2.gz QQPAGKRDVXTLMA-JKSUJKDBSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCOC(=O)N[C@H]1CCC[N@H+](C2CCC3(CC3)CC2)C1 ZINC001254449550 806403364 /nfs/dbraw/zinc/40/33/64/806403364.db2.gz VXADMWGTZKOYJH-AWEZNQCLSA-N 1 1 292.423 3.086 20 30 CGEDMO CCC[N@@H+](CCC#N)C1CCN(c2ccc(F)cc2)CC1 ZINC001254629172 806463976 /nfs/dbraw/zinc/46/39/76/806463976.db2.gz YWHWQGAKBPNOSY-UHFFFAOYSA-N 1 1 289.398 3.420 20 30 CGEDMO N#C[C@@H]1CC[C@H](N2CCC3(CCC[N@H+]3CC3CC3)CC2)C1 ZINC001254660336 806478161 /nfs/dbraw/zinc/47/81/61/806478161.db2.gz XHEAWTWEWUCLIY-SJORKVTESA-N 1 1 287.451 3.019 20 30 CGEDMO COc1ccc([C@H](C)[N@@H+](C)[C@H]2CC[C@H](C#N)C2)cc1 ZINC001254670743 806480972 /nfs/dbraw/zinc/48/09/72/806480972.db2.gz MGISHMQALCGTSU-YDHLFZDLSA-N 1 1 258.365 3.380 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](OCc3ccccc3)C2)C1 ZINC001254670931 806481697 /nfs/dbraw/zinc/48/16/97/806481697.db2.gz NISRWIUWCVKBBM-KZNAEPCWSA-N 1 1 284.403 3.360 20 30 CGEDMO N#C[C@H]1CC[C@@H]([N@@H+]2Cc3cnc(-c4ccccc4)nc3C2)C1 ZINC001254672962 806481781 /nfs/dbraw/zinc/48/17/81/806481781.db2.gz FKXHGCDTXPDMPC-XJKSGUPXSA-N 1 1 290.370 3.151 20 30 CGEDMO N#C[C@H]1CC[C@@H]([N@H+]2Cc3cnc(-c4ccccc4)nc3C2)C1 ZINC001254672962 806481786 /nfs/dbraw/zinc/48/17/86/806481786.db2.gz FKXHGCDTXPDMPC-XJKSGUPXSA-N 1 1 290.370 3.151 20 30 CGEDMO Cc1ccccc1O[C@H]1CC[N@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC001254670657 806482180 /nfs/dbraw/zinc/48/21/80/806482180.db2.gz KNKFPCJDPISLAY-OAGGEKHMSA-N 1 1 270.376 3.140 20 30 CGEDMO C=CC[N@@H+](C1CCCCC1)[C@@H]1CC2CCN(CC2)C1 ZINC001254867834 806503823 /nfs/dbraw/zinc/50/38/23/806503823.db2.gz MBWICJODISDFND-QGZVFWFLSA-N 1 1 262.441 3.291 20 30 CGEDMO Cc1cc(F)c(C#N)c(NCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC001162146180 806513724 /nfs/dbraw/zinc/51/37/24/806513724.db2.gz HFWQVHKCOTXZRP-GFCCVEGCSA-N 1 1 275.371 3.150 20 30 CGEDMO C#CC[N@H+](C1C[C@@H]2CC(=O)C[C@H]2C1)[C@@H]1CCc2ccccc21 ZINC001254952914 806517554 /nfs/dbraw/zinc/51/75/54/806517554.db2.gz IDZHCYWIROQGFU-JXXFODFXSA-N 1 1 293.410 3.367 20 30 CGEDMO CC1(C#N)CN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255136361 806551382 /nfs/dbraw/zinc/55/13/82/806551382.db2.gz KBTWWWHNUDFOCC-BCDXTJNWSA-N 1 1 295.430 3.027 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]C1(c2cccc(OC)c2)CCC1 ZINC001255160846 806559970 /nfs/dbraw/zinc/55/99/70/806559970.db2.gz QOWXKJZFJZIGHO-AWEZNQCLSA-N 1 1 258.365 3.356 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(Br)c(OC)c1 ZINC001255163128 806561796 /nfs/dbraw/zinc/56/17/96/806561796.db2.gz BZRXZOOAMKTFTC-LLVKDONJSA-N 1 1 297.196 3.240 20 30 CGEDMO CC[C@@H](CC#N)[N@@H+]1CCC[C@@H](Oc2cccc(OC)c2)C1 ZINC001255172937 806566527 /nfs/dbraw/zinc/56/65/27/806566527.db2.gz UDOWCJWTEFPHHV-WMLDXEAASA-N 1 1 288.391 3.231 20 30 CGEDMO CC[C@@H](CC#N)[N@H+]1CCC[C@@H](Oc2cccc(OC)c2)C1 ZINC001255172937 806566534 /nfs/dbraw/zinc/56/65/34/806566534.db2.gz UDOWCJWTEFPHHV-WMLDXEAASA-N 1 1 288.391 3.231 20 30 CGEDMO CC[C@@H](CC#N)[N@H+](C[C@@H](O)c1ccccc1OC)C(C)C ZINC001255173541 806567098 /nfs/dbraw/zinc/56/70/98/806567098.db2.gz BRIWSCQOTQFUFQ-GOEBONIOSA-N 1 1 290.407 3.131 20 30 CGEDMO CC[C@@H](CC#N)[N@@H+](C[C@@H](O)c1ccccc1OC)C(C)C ZINC001255173541 806567107 /nfs/dbraw/zinc/56/71/07/806567107.db2.gz BRIWSCQOTQFUFQ-GOEBONIOSA-N 1 1 290.407 3.131 20 30 CGEDMO CC[C@@H](CC#N)N(CC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001255174672 806569360 /nfs/dbraw/zinc/56/93/60/806569360.db2.gz HTLAUWQHEJWLPP-ZWKOTPCHSA-N 1 1 285.435 3.275 20 30 CGEDMO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1[C@@H](C)CCCC ZINC001255328877 806615137 /nfs/dbraw/zinc/61/51/37/806615137.db2.gz NKDFQIFALRCTJW-HOCLYGCPSA-N 1 1 291.439 3.101 20 30 CGEDMO CCCC[C@H](C)[N@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001255329606 806616447 /nfs/dbraw/zinc/61/64/47/806616447.db2.gz NHLZPNPSDLKZHK-HNNXBMFYSA-N 1 1 286.423 3.044 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H]1CCC[C@H](C(=O)OCC)C1 ZINC001255368705 806627102 /nfs/dbraw/zinc/62/71/02/806627102.db2.gz HEEKVRVEQTZULD-UONOGXRCSA-N 1 1 253.386 3.006 20 30 CGEDMO C[C@]1(C#N)CCN([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255409958 806635125 /nfs/dbraw/zinc/63/51/25/806635125.db2.gz OAMSXZZMPLGTHU-RBUKOAKNSA-N 1 1 297.446 3.277 20 30 CGEDMO COC1CCC([N@@H+](CCC#N)C2CCCC2)CC1 ZINC001255458795 806644586 /nfs/dbraw/zinc/64/45/86/806644586.db2.gz VQUCTOMNAXSRNZ-UHFFFAOYSA-N 1 1 250.386 3.102 20 30 CGEDMO C=CC[C@@H](Nc1[nH+]ccc2c1NC(=O)CO2)c1ccccc1 ZINC001162906122 806683021 /nfs/dbraw/zinc/68/30/21/806683021.db2.gz VWOJBOHCYQZXMQ-CYBMUJFWSA-N 1 1 295.342 3.142 20 30 CGEDMO C[C@H](CC(F)(F)F)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001255659678 806697073 /nfs/dbraw/zinc/69/70/73/806697073.db2.gz BOLOJOJRSDJXDJ-SNVBAGLBSA-N 1 1 256.271 3.331 20 30 CGEDMO N#Cc1ccc(C[NH+]2CC(c3ccccc3)C2)c(F)c1 ZINC000093965853 798967508 /nfs/dbraw/zinc/96/75/08/798967508.db2.gz XDZAEQPEONRIHI-UHFFFAOYSA-N 1 1 266.319 3.297 20 30 CGEDMO C#CCOc1ccccc1CNc1ccc(C)c[nH+]1 ZINC000121605941 798988870 /nfs/dbraw/zinc/98/88/70/798988870.db2.gz RMSNKZLNVNZKAP-UHFFFAOYSA-N 1 1 252.317 3.014 20 30 CGEDMO N#Cc1cc(F)cc(C[NH+]2CCC(C(F)(F)F)CC2)c1 ZINC000163627474 799083592 /nfs/dbraw/zinc/08/35/92/799083592.db2.gz IMGHNEYNRWROHZ-UHFFFAOYSA-N 1 1 286.272 3.472 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000384159158 799412698 /nfs/dbraw/zinc/41/26/98/799412698.db2.gz JEGNTEJPXLBGNZ-AWEZNQCLSA-N 1 1 250.411 3.332 20 30 CGEDMO CCCCCCCCCN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000386566538 799437683 /nfs/dbraw/zinc/43/76/83/799437683.db2.gz WNINDIIZGPTNIV-HOTGVXAUSA-N 1 1 252.446 3.421 20 30 CGEDMO CC[C@@H](C)[N@@H+](CCO[C@@H](C)C#N)Cc1ccccc1 ZINC000387322500 799445821 /nfs/dbraw/zinc/44/58/21/799445821.db2.gz CQHFKVCFJPIYGA-CABCVRRESA-N 1 1 260.381 3.216 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)cc1F ZINC000404037684 799573021 /nfs/dbraw/zinc/57/30/21/799573021.db2.gz ZBHQUMKGMWPMRH-NSHDSACASA-N 1 1 272.245 3.082 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C2)cc1F ZINC000404037684 799573022 /nfs/dbraw/zinc/57/30/22/799573022.db2.gz ZBHQUMKGMWPMRH-NSHDSACASA-N 1 1 272.245 3.082 20 30 CGEDMO CCCC[N@@H+](C)C[C@@H](C)Nc1cc(C#N)sc1[N+](=O)[O-] ZINC001163424375 806762616 /nfs/dbraw/zinc/76/26/16/806762616.db2.gz ZATGIMILTFNOMB-SNVBAGLBSA-N 1 1 296.396 3.060 20 30 CGEDMO [NH2+]=C(Nc1cccnc1)c1ccc(C(F)(F)F)cc1 ZINC001163680334 806799364 /nfs/dbraw/zinc/79/93/64/806799364.db2.gz OPGWLRNWKBMDMD-UHFFFAOYSA-N 1 1 265.238 3.137 20 30 CGEDMO CCC1(CC)CCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000721220258 800281928 /nfs/dbraw/zinc/28/19/28/800281928.db2.gz HFUNSPUQXRXFTH-INIZCTEOSA-N 1 1 272.392 3.246 20 30 CGEDMO CCC1(CC)CCC[N@@H+](Cc2cncc(C#N)c2)C1 ZINC000721543074 800292166 /nfs/dbraw/zinc/29/21/66/800292166.db2.gz DIQNKXQVWHPHFL-UHFFFAOYSA-N 1 1 257.381 3.355 20 30 CGEDMO C#CC[C@@H]([NH3+])c1nc(-c2cc(Cl)ccc2Cl)no1 ZINC000723890765 800343294 /nfs/dbraw/zinc/34/32/94/800343294.db2.gz HJUAXNOEXUWJAM-SNVBAGLBSA-N 1 1 282.130 3.067 20 30 CGEDMO C#CC[C@H]([NH2+]Cc1cc(F)ncc1F)c1ccccc1 ZINC000809425697 800437153 /nfs/dbraw/zinc/43/71/53/800437153.db2.gz RHRDJOMDOVFBAA-HNNXBMFYSA-N 1 1 272.298 3.214 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)Cc2ccc3c(c2)OCCO3)cc1 ZINC000809541734 800443396 /nfs/dbraw/zinc/44/33/96/800443396.db2.gz OVRCXHUWKPJWJZ-UHFFFAOYSA-N 1 1 293.366 3.071 20 30 CGEDMO CO[C@H](CC(C)C)C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933770868 800675773 /nfs/dbraw/zinc/67/57/73/800675773.db2.gz NSVGKEDQNXGRPE-CYBMUJFWSA-N 1 1 266.410 3.113 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1CC/C=C/c1cncc(OC)c1 ZINC000934458963 800677823 /nfs/dbraw/zinc/67/78/23/800677823.db2.gz GPAGVAWEBLCESC-SZTZYQKNSA-N 1 1 258.365 3.144 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1nc(-c2ccccc2F)no1 ZINC000934460020 800678308 /nfs/dbraw/zinc/67/83/08/800678308.db2.gz GRHABSIBQWCQNQ-NSHDSACASA-N 1 1 273.311 3.026 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1nc(-c2ccccc2F)no1 ZINC000934460020 800678314 /nfs/dbraw/zinc/67/83/14/800678314.db2.gz GRHABSIBQWCQNQ-NSHDSACASA-N 1 1 273.311 3.026 20 30 CGEDMO C=Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](CC(=C)C)C2)cc1 ZINC001023605378 800713575 /nfs/dbraw/zinc/71/35/75/800713575.db2.gz YKTJXXMZTHLECM-KRWDZBQOSA-N 1 1 298.430 3.348 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1oc(C)cc1C ZINC001024378882 800726551 /nfs/dbraw/zinc/72/65/51/800726551.db2.gz QBXUEXBFMXGMDR-OAHLLOKOSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccoc1Cl ZINC001024415653 800728246 /nfs/dbraw/zinc/72/82/46/800728246.db2.gz ZJQMBFASRVDRMA-GFCCVEGCSA-N 1 1 296.798 3.093 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001024770931 800734553 /nfs/dbraw/zinc/73/45/53/800734553.db2.gz ZSHJVHJSBDMSTL-ULQDDVLXSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1CCC1 ZINC001025188022 800745705 /nfs/dbraw/zinc/74/57/05/800745705.db2.gz GSHKGXLZLHRWME-IAGOWNOFSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC001025191482 800746759 /nfs/dbraw/zinc/74/67/59/800746759.db2.gz JQUWXRMGJPQSDD-MSOLQXFVSA-N 1 1 298.430 3.332 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCC ZINC001025190929 800747429 /nfs/dbraw/zinc/74/74/29/800747429.db2.gz CVXVVMHIGLHCIY-JKSUJKDBSA-N 1 1 278.440 3.208 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CCCCC2)C1 ZINC001025315576 800754643 /nfs/dbraw/zinc/75/46/43/800754643.db2.gz BMNDDAGPOZVJDU-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccsc2)C1 ZINC001025335260 800756683 /nfs/dbraw/zinc/75/66/83/800756683.db2.gz ALBOFHWPVZEYQV-KBPBESRZSA-N 1 1 292.448 3.155 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2=CCCC2)C1 ZINC001025380992 800759009 /nfs/dbraw/zinc/75/90/09/800759009.db2.gz NJWRPSGBYLZMAJ-WBVHZDCISA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cscc2C)C1 ZINC001025380853 800759651 /nfs/dbraw/zinc/75/96/51/800759651.db2.gz KUOZYRKMRGLXSP-KBPBESRZSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001027655605 800810202 /nfs/dbraw/zinc/81/02/02/800810202.db2.gz YLADQROSQDZQIW-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001027703968 800813681 /nfs/dbraw/zinc/81/36/81/800813681.db2.gz ICKKBXLDUOBNLS-CQSZACIVSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)C1CCCCC1 ZINC001027730122 800817110 /nfs/dbraw/zinc/81/71/10/800817110.db2.gz YFNOOKWQAKNBRJ-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC=CCCC1 ZINC001027963480 800826440 /nfs/dbraw/zinc/82/64/40/800826440.db2.gz LVBAMORWUCMGLE-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1sccc1Cl ZINC001027897853 800826924 /nfs/dbraw/zinc/82/69/24/800826924.db2.gz AYUAMYTXIWAGOK-LLVKDONJSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(CCC)cc1 ZINC001028107846 800832036 /nfs/dbraw/zinc/83/20/36/800832036.db2.gz CTBYJMNPGXSREZ-KRWDZBQOSA-N 1 1 286.419 3.019 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C=C)cc1 ZINC001028155290 800833531 /nfs/dbraw/zinc/83/35/31/800833531.db2.gz BXPFVGDRCYCURT-KRWDZBQOSA-N 1 1 284.403 3.100 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cl)s1 ZINC001028302097 800839723 /nfs/dbraw/zinc/83/97/23/800839723.db2.gz XMVQVCQQOCJJAP-LLVKDONJSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(C)c1C ZINC001028296252 800840129 /nfs/dbraw/zinc/84/01/29/800840129.db2.gz RJLAPXIVQWUQLV-MRXNPFEDSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1cc2ccccc2o1 ZINC001028304284 800840570 /nfs/dbraw/zinc/84/05/70/800840570.db2.gz WSZJKQKJOSREFO-HNNXBMFYSA-N 1 1 298.386 3.203 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1sccc1CC ZINC001028332177 800842994 /nfs/dbraw/zinc/84/29/94/800842994.db2.gz OXXVZVWBQIFFHP-CQSZACIVSA-N 1 1 292.448 3.081 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc3occc3c2)C1 ZINC001028554497 800850186 /nfs/dbraw/zinc/85/01/86/800850186.db2.gz IGBNDFSHBOIMKX-AWEZNQCLSA-N 1 1 298.386 3.061 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)C2CCCCCCC2)C1 ZINC001028680964 800850735 /nfs/dbraw/zinc/85/07/35/800850735.db2.gz MFUTZPZNXPDEJG-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001028784444 800851570 /nfs/dbraw/zinc/85/15/70/800851570.db2.gz YPISBWYSKWVPIU-UONOGXRCSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001028784444 800851575 /nfs/dbraw/zinc/85/15/75/800851575.db2.gz YPISBWYSKWVPIU-UONOGXRCSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001028788639 800853738 /nfs/dbraw/zinc/85/37/38/800853738.db2.gz NKNWDDHCKLPJJQ-CVEARBPZSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)C2CCC=CCC2)C1 ZINC001028990273 800856415 /nfs/dbraw/zinc/85/64/15/800856415.db2.gz FVSDNVXYKKBZBI-INIZCTEOSA-N 1 1 290.451 3.137 20 30 CGEDMO CC(C)CC[C@H](C)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001256363103 806868020 /nfs/dbraw/zinc/86/80/20/806868020.db2.gz GPIYGPZAZUFGOC-AAEUAGOBSA-N 1 1 253.411 3.085 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC(C)(C)C1 ZINC001032808456 800935781 /nfs/dbraw/zinc/93/57/81/800935781.db2.gz ZHYJDUGPLRWBFR-PMPSAXMXSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001033093167 800952817 /nfs/dbraw/zinc/95/28/17/800952817.db2.gz XJMDHKZMDJXRHO-ARFHVFGLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](N(C)C(=O)c2scc(C)c2Cl)C1 ZINC001033107084 800953081 /nfs/dbraw/zinc/95/30/81/800953081.db2.gz SCQJDPPFEWMWMG-LLVKDONJSA-N 1 1 298.839 3.042 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2scc(C)c2Cl)C1 ZINC001033107084 800953087 /nfs/dbraw/zinc/95/30/87/800953087.db2.gz SCQJDPPFEWMWMG-LLVKDONJSA-N 1 1 298.839 3.042 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)C2(C3CC3)CCC2)C1 ZINC001033300058 800956930 /nfs/dbraw/zinc/95/69/30/800956930.db2.gz HWJPZWZDPPQAIZ-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CCCC(C)(C)C2)C1 ZINC001033592769 800968994 /nfs/dbraw/zinc/96/89/94/800968994.db2.gz CWMDVPIKRYTIIF-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCCC(C)(C)C2)C1 ZINC001033592773 800969907 /nfs/dbraw/zinc/96/99/07/800969907.db2.gz CWMDVPIKRYTIIF-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)C2CC(C(C)(C)C)C2)C1 ZINC001033706070 800976947 /nfs/dbraw/zinc/97/69/47/800976947.db2.gz VFEFUNMEEVHWLT-UYSNPLJNSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccsc2)C1 ZINC001033744387 800980106 /nfs/dbraw/zinc/98/01/06/800980106.db2.gz GWFJQVQUQLXBFM-HNNXBMFYSA-N 1 1 292.448 3.251 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)C2CCCCCC2)C1 ZINC001033767527 800982671 /nfs/dbraw/zinc/98/26/71/800982671.db2.gz BCIFMSCHAZWQQX-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(C)o2)C1 ZINC001033753381 800982869 /nfs/dbraw/zinc/98/28/69/800982869.db2.gz WDLZGCHEKIMJAJ-HNNXBMFYSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC2(C)C)C1 ZINC001033925464 800989739 /nfs/dbraw/zinc/98/97/39/800989739.db2.gz NYZSRBNSRADLAU-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC=CCC2)C1 ZINC001034096936 801004094 /nfs/dbraw/zinc/00/40/94/801004094.db2.gz UDHVJLDAHFSMTP-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)C=C2CCC2)C1 ZINC001034158561 801009300 /nfs/dbraw/zinc/00/93/00/801009300.db2.gz GRCYTBAFAQCJGM-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@]2(C)CC=CCC2)C1 ZINC001034225134 801012696 /nfs/dbraw/zinc/01/26/96/801012696.db2.gz FGUSBTPBXAJIBD-FUHWJXTLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)C23CCC(CC2)C3)C1 ZINC001034275089 801014018 /nfs/dbraw/zinc/01/40/18/801014018.db2.gz ABMKRMHQYNGGKW-PQUAAJSLSA-N 1 1 290.451 3.114 20 30 CGEDMO C#Cc1ccc(C(=O)N[C@@H]2CCCC[N@H+](CCCC)C2)cc1 ZINC001034344246 801018375 /nfs/dbraw/zinc/01/83/75/801018375.db2.gz HYEXTNWDIXYGPZ-GOSISDBHSA-N 1 1 298.430 3.052 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)C2CCC(F)CC2)C1 ZINC001034376945 801021395 /nfs/dbraw/zinc/02/13/95/801021395.db2.gz QIUAQLNXDZPHSQ-GPANFISMSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC001034389597 801024830 /nfs/dbraw/zinc/02/48/30/801024830.db2.gz SFDXXOIDJSZKEH-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C)C(C)C)CC2 ZINC001035235811 801057262 /nfs/dbraw/zinc/05/72/62/801057262.db2.gz SYFDHZHIFQZKSQ-INIZCTEOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(C)c(C)c3)CC[C@@H]21 ZINC001036885953 801092532 /nfs/dbraw/zinc/09/25/32/801092532.db2.gz SYFNZXILSKCZRN-ROUUACIJSA-N 1 1 298.430 3.026 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(Cl)cc1C ZINC001038658580 801130659 /nfs/dbraw/zinc/13/06/59/801130659.db2.gz PPBKDNOBIJHCHF-AWEZNQCLSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CCC(C)(C)C)CC1 ZINC001038660077 801131000 /nfs/dbraw/zinc/13/10/00/801131000.db2.gz FJHYBQJVRNAHQL-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(C(F)F)c1 ZINC001038929691 801136067 /nfs/dbraw/zinc/13/60/67/801136067.db2.gz LIBMPORHYZSMGX-CQSZACIVSA-N 1 1 294.345 3.004 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C(C)C)cc1 ZINC001038952073 801138554 /nfs/dbraw/zinc/13/85/54/801138554.db2.gz KMKJVLPHPHJPHU-KRWDZBQOSA-N 1 1 286.419 3.190 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)CCC=C2 ZINC001038940497 801138799 /nfs/dbraw/zinc/13/87/99/801138799.db2.gz ZFPZLKBAUHOPOG-SFHVURJKSA-N 1 1 296.414 3.026 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)c(C)s1 ZINC001038997476 801142192 /nfs/dbraw/zinc/14/21/92/801142192.db2.gz DBXDZNHEUBUUIW-CQSZACIVSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C(C)(C)F)C1 ZINC001039179042 801150257 /nfs/dbraw/zinc/15/02/57/801150257.db2.gz XUPSCPSACRHRMF-CABCVRRESA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC([C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC001039151371 801150469 /nfs/dbraw/zinc/15/04/69/801150469.db2.gz VYOBTBSASVGROL-INIZCTEOSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CCCCC1 ZINC001039326498 801157966 /nfs/dbraw/zinc/15/79/66/801157966.db2.gz AZXUPFBFHYKAGX-SJORKVTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)c(C)c1 ZINC001039466281 801163378 /nfs/dbraw/zinc/16/33/78/801163378.db2.gz BYFLQDCJHRZJMJ-MSOLQXFVSA-N 1 1 298.430 3.168 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccccc3)C2)C1 ZINC001040048316 801171670 /nfs/dbraw/zinc/17/16/70/801171670.db2.gz XVDMNAGTKDNFII-LJQANCHMSA-N 1 1 298.430 3.191 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C(F)=C(C)C)C2)C1 ZINC001040158433 801173581 /nfs/dbraw/zinc/17/35/81/801173581.db2.gz PRMYUPXRQXXHGM-QGZVFWFLSA-N 1 1 294.414 3.140 20 30 CGEDMO C=CC[N@H+]1CCC[C@]2(CCN(C(=O)CCC3CCC3)C2)C1 ZINC001040146383 801174046 /nfs/dbraw/zinc/17/40/46/801174046.db2.gz SXEPEWUUSCKTKV-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](F)CC)C2)C1 ZINC001040332485 801175795 /nfs/dbraw/zinc/17/57/95/801175795.db2.gz QNRHTAIYEFFPPC-RDJZCZTQSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)CC3(C)CC3)C2)C1 ZINC001040298566 801175886 /nfs/dbraw/zinc/17/58/86/801175886.db2.gz XVYFYYHKSXHPEN-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC)C2 ZINC001040370218 801176380 /nfs/dbraw/zinc/17/63/80/801176380.db2.gz ZFDVYITXJQSXGY-ROUUACIJSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C1CCC(C(=O)N2CC[C@@]3(CC[N@H+](C(C)C)C3)C2)CC1 ZINC001041636405 801193042 /nfs/dbraw/zinc/19/30/42/801193042.db2.gz RBDFOKYMILLYIP-GOSISDBHSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C)C(C)C)C2)C1 ZINC001041719637 801193210 /nfs/dbraw/zinc/19/32/10/801193210.db2.gz FUZSKFORRRFVRO-WMZOPIPTSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)CC3CCCC3)C[C@H]21 ZINC001041915415 801196957 /nfs/dbraw/zinc/19/69/57/801196957.db2.gz HHVRZPWCKMKHOW-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)C(CC)CC)C[C@@H]21 ZINC001041949325 801199193 /nfs/dbraw/zinc/19/91/93/801199193.db2.gz GYPCDQLWCSKZPY-CABCVRRESA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(CC)CC)C[C@@H]21 ZINC001041949325 801199197 /nfs/dbraw/zinc/19/91/97/801199197.db2.gz GYPCDQLWCSKZPY-CABCVRRESA-N 1 1 298.858 3.098 20 30 CGEDMO C=CCC[NH+]1CC(N(C)C(=O)C(C)(C)C2CCCCC2)C1 ZINC001044024785 801228660 /nfs/dbraw/zinc/22/86/60/801228660.db2.gz VAZONQALHYWWCD-UHFFFAOYSA-N 1 1 292.467 3.312 20 30 CGEDMO Cc1ccc(CC#N)c(N2CC[C@H](C)C(F)(F)CC2)[nH+]1 ZINC001164117508 806895954 /nfs/dbraw/zinc/89/59/54/806895954.db2.gz DOULGIUDAUHJCX-NSHDSACASA-N 1 1 279.334 3.328 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C/C=C/Cl ZINC001045826995 801287529 /nfs/dbraw/zinc/28/75/29/801287529.db2.gz FXBNTCRCJODDTD-JEELVDDXSA-N 1 1 296.842 3.016 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](C)CC)C2 ZINC001045916549 801294328 /nfs/dbraw/zinc/29/43/28/801294328.db2.gz DMBLIAYGLWVYGK-FUHWJXTLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1(C)CC1)C2 ZINC001045939249 801295971 /nfs/dbraw/zinc/29/59/71/801295971.db2.gz ACSODJWVZRMKIR-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)C)C2 ZINC001045981182 801297036 /nfs/dbraw/zinc/29/70/36/801297036.db2.gz QTAMZFCCBIRNCL-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO CCCC[N@@H+](CCC#N)C1CCC(OCC)CC1 ZINC001256442333 806900305 /nfs/dbraw/zinc/90/03/05/806900305.db2.gz MLACZVQGMFYOFP-UHFFFAOYSA-N 1 1 252.402 3.350 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2coc3c2cccc3C)C1 ZINC001046375393 801309817 /nfs/dbraw/zinc/30/98/17/801309817.db2.gz YRECUPNMBUKCNW-GOSISDBHSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)C2CCC(=C)CC2)C1 ZINC001046594677 801316146 /nfs/dbraw/zinc/31/61/46/801316146.db2.gz NAQMYPDQLPXAKH-SFHVURJKSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001046787080 801323018 /nfs/dbraw/zinc/32/30/18/801323018.db2.gz STQIAGPANNNNDW-JFIYKMOQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)c2cccc(C)c2C)C1 ZINC001046812031 801325504 /nfs/dbraw/zinc/32/55/04/801325504.db2.gz IUYCQVOCIGCTSZ-SFHVURJKSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(Cl)s2)C1 ZINC001046820022 801327253 /nfs/dbraw/zinc/32/72/53/801327253.db2.gz GPRJJILNTXDJNF-AWEZNQCLSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)c2cc3cccc(C)c3o2)C1 ZINC001046853758 801328475 /nfs/dbraw/zinc/32/84/75/801328475.db2.gz DRYRDAKBLGPMFK-SFHVURJKSA-N 1 1 298.386 3.121 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001046862765 801329600 /nfs/dbraw/zinc/32/96/00/801329600.db2.gz POKDBUJRYOTDET-YJBOKZPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccc(C)c1 ZINC001049310698 801365444 /nfs/dbraw/zinc/36/54/44/801365444.db2.gz FYABSSWWNJCENB-ROUUACIJSA-N 1 1 298.430 3.250 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)=C1CCC1 ZINC001049469499 801374145 /nfs/dbraw/zinc/37/41/45/801374145.db2.gz DBNSIRLXNSDMHE-SJORKVTESA-N 1 1 288.435 3.128 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H](C)CC ZINC001049643776 801378981 /nfs/dbraw/zinc/37/89/81/801378981.db2.gz FUZJZGJPAJVMFH-XHSDSOJGSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1(C)CCC1 ZINC001049644883 801379124 /nfs/dbraw/zinc/37/91/24/801379124.db2.gz KRRSHCODSQXUNR-HZPDHXFCSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCCF ZINC001049634228 801381030 /nfs/dbraw/zinc/38/10/30/801381030.db2.gz PNPWVZQANTVORY-LSDHHAIUSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](C)C1CC1 ZINC001049923323 801393679 /nfs/dbraw/zinc/39/36/79/801393679.db2.gz USUCPUUEBSLCLZ-HYVNUMGLSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cccc(C)c3C)[C@@H]2C1 ZINC001050192978 801399216 /nfs/dbraw/zinc/39/92/16/801399216.db2.gz XAZUZEHBQWRKNS-FUHWJXTLSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CC2CCCC2)CC1 ZINC001052169297 801422937 /nfs/dbraw/zinc/42/29/37/801422937.db2.gz KPMNFNSWDVQIKL-HNNXBMFYSA-N 1 1 298.858 3.290 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC3(CC3)C2)CC1 ZINC001052379560 801433300 /nfs/dbraw/zinc/43/33/00/801433300.db2.gz OXRNAZBNWJZXRH-JKSUJKDBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC(C)=C(C)C2)CC1 ZINC001052409866 801433862 /nfs/dbraw/zinc/43/38/62/801433862.db2.gz PRJIXVYTTMLPOZ-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC23CC3)CC1 ZINC001052486944 801436522 /nfs/dbraw/zinc/43/65/22/801436522.db2.gz QTSUYXQEDKRQHL-HOTGVXAUSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)C2CCC3(CC3)CC2)CC1 ZINC001052567186 801438753 /nfs/dbraw/zinc/43/87/53/801438753.db2.gz TUHNIUAKKOZOAG-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001052579682 801439259 /nfs/dbraw/zinc/43/92/59/801439259.db2.gz YDKLCSWLIGRTKB-SOLBZPMBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)C2CC3(CCC3)C2)CC1 ZINC001052636915 801443012 /nfs/dbraw/zinc/44/30/12/801443012.db2.gz BCWUWQDEBPTQDQ-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)[C@]23C[C@H]2CCCC3)CC1 ZINC001052685717 801447360 /nfs/dbraw/zinc/44/73/60/801447360.db2.gz COEDPUAUMKECII-SOLBZPMBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C)c(C)c2)CC1 ZINC001052911757 801455952 /nfs/dbraw/zinc/45/59/52/801455952.db2.gz OBDLYFLZZCKIQL-QGZVFWFLSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C2(C)CCC(C)CC2)CC1 ZINC001052964276 801458346 /nfs/dbraw/zinc/45/83/46/801458346.db2.gz GSRXJCVKSFCTIF-UPTPFMHGSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@]2(C)CC=C(C)CC2)CC1 ZINC001052951618 801458373 /nfs/dbraw/zinc/45/83/73/801458373.db2.gz KWVIPLDNJODTRZ-FUHWJXTLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCC)C2)C1 ZINC001052998883 801460033 /nfs/dbraw/zinc/46/00/33/801460033.db2.gz FHJQRWXCCXNXAA-DLBZAZTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC)C1 ZINC001053056120 801464737 /nfs/dbraw/zinc/46/47/37/801464737.db2.gz BHNDPVOVILZZHM-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)/C(C)=C/C)C2)C1 ZINC001053020327 801464920 /nfs/dbraw/zinc/46/49/20/801464920.db2.gz UGTNNDZYONRFCQ-DJKUPCSYSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccccc1C)C2 ZINC001054076508 801471987 /nfs/dbraw/zinc/47/19/87/801471987.db2.gz DGMGFVQICMYGBD-IBGZPJMESA-N 1 1 298.430 3.109 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC(C)(C)C)C2 ZINC001054086655 801472046 /nfs/dbraw/zinc/47/20/46/801472046.db2.gz RYXDVUWRPNSMNB-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(CC)CC)C2 ZINC001054088365 801474073 /nfs/dbraw/zinc/47/40/73/801474073.db2.gz UUFWKVYKMWJEGT-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)C(C)C)C2 ZINC001054206234 801479755 /nfs/dbraw/zinc/47/97/55/801479755.db2.gz BMPFDUORFQNNQC-WMZOPIPTSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CCC3(C)C)cc2C1 ZINC001054277775 801484776 /nfs/dbraw/zinc/48/47/76/801484776.db2.gz RNSWPZAIDBUJSM-QGZVFWFLSA-N 1 1 298.430 3.241 20 30 CGEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCC3(C)C)cc2C1 ZINC001054277775 801484777 /nfs/dbraw/zinc/48/47/77/801484777.db2.gz RNSWPZAIDBUJSM-QGZVFWFLSA-N 1 1 298.430 3.241 20 30 CGEDMO C[C@H]1C[C@H](N2CCC[C@H]2C#N)CC[N@H+]1Cc1ccccc1 ZINC001256536749 806913467 /nfs/dbraw/zinc/91/34/67/806913467.db2.gz ISKKJMGVGXYHKH-JQHSSLGASA-N 1 1 283.419 3.027 20 30 CGEDMO C[C@@H]1C[C@@H](N2CCCC[C@H]2C#N)CC[N@H+]1Cc1ccccc1 ZINC001256554229 806915339 /nfs/dbraw/zinc/91/53/39/806915339.db2.gz OXVNNIDLVMILOV-NEWSRXKRSA-N 1 1 297.446 3.418 20 30 CGEDMO CC(C)(C)N1CCC([NH2+]C23CCC(C#N)(CC2)CC3)CC1 ZINC001256564515 806915935 /nfs/dbraw/zinc/91/59/35/806915935.db2.gz ONRDDRPVONLYID-UHFFFAOYSA-N 1 1 289.467 3.455 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2ccc(C)s2)CC[C@H]1C ZINC001071300161 801524883 /nfs/dbraw/zinc/52/48/83/801524883.db2.gz QLUPEZZTBOSYDF-TZMCWYRMSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2sccc2C)CC[C@@H]1C ZINC001071315229 801525959 /nfs/dbraw/zinc/52/59/59/801525959.db2.gz UJUODKCIFNMEGU-UONOGXRCSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)o2)CC[C@@H]1C ZINC001071332541 801529858 /nfs/dbraw/zinc/52/98/58/801529858.db2.gz SFVHOSPUSGBCPF-ZFWWWQNUSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C2(C)CCCC2)CC[C@H]1C ZINC001071714813 801546623 /nfs/dbraw/zinc/54/66/23/801546623.db2.gz BBMHNYUCNAMLBZ-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cocc2C)CC[C@H]1C ZINC001071743747 801549869 /nfs/dbraw/zinc/54/98/69/801549869.db2.gz DOOORTRQWVPWKA-CABCVRRESA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2csc(C)c2)CC[C@H]1C ZINC001071895876 801557002 /nfs/dbraw/zinc/55/70/02/801557002.db2.gz BZKWFDLWWRHLPG-IUODEOHRSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)CC[C@H]1C ZINC001072006390 801557963 /nfs/dbraw/zinc/55/79/63/801557963.db2.gz SNSMZHCLGHWBLU-VQHPVUNQSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(C)c3C)[C@@H]2C1 ZINC001076520687 801618847 /nfs/dbraw/zinc/61/88/47/801618847.db2.gz UAWXYFUQRHBTMM-FUHWJXTLSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2csc(Cl)c2)C1 ZINC001080560743 801655319 /nfs/dbraw/zinc/65/53/19/801655319.db2.gz YTPRQRMLMDIVJJ-ZYHUDNBSSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1C(C)C ZINC001085630615 801697782 /nfs/dbraw/zinc/69/77/82/801697782.db2.gz ZLPPTTGQQSLXAC-HNNXBMFYSA-N 1 1 286.419 3.142 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1C(C)C ZINC001085630615 801697786 /nfs/dbraw/zinc/69/77/86/801697786.db2.gz ZLPPTTGQQSLXAC-HNNXBMFYSA-N 1 1 286.419 3.142 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC(C)(C)C1 ZINC001085804364 801704938 /nfs/dbraw/zinc/70/49/38/801704938.db2.gz HQTKNHRTJNRDFK-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC[C@H](C)F)CC1 ZINC001085800762 801705834 /nfs/dbraw/zinc/70/58/34/801705834.db2.gz BGSDMACCOIQAJD-HOCLYGCPSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1sccc1CC ZINC001085985642 801715858 /nfs/dbraw/zinc/71/58/58/801715858.db2.gz JEFWDMJZCNEMFW-CQSZACIVSA-N 1 1 292.448 3.033 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1sccc1CC ZINC001085985642 801715863 /nfs/dbraw/zinc/71/58/63/801715863.db2.gz JEFWDMJZCNEMFW-CQSZACIVSA-N 1 1 292.448 3.033 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCCC1(C)C ZINC001085991099 801717519 /nfs/dbraw/zinc/71/75/19/801717519.db2.gz GBFBWJMVSGQOQI-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C(C)C)s1 ZINC001085992255 801718689 /nfs/dbraw/zinc/71/86/89/801718689.db2.gz GQGSXKFESNKQSJ-ZDUSSCGKSA-N 1 1 292.448 3.204 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C(C)C)s1 ZINC001085992255 801718695 /nfs/dbraw/zinc/71/86/95/801718695.db2.gz GQGSXKFESNKQSJ-ZDUSSCGKSA-N 1 1 292.448 3.204 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CCC(C)(C)CC1 ZINC001085993394 801719698 /nfs/dbraw/zinc/71/96/98/801719698.db2.gz JZHBYPNCZALGAA-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2CCCC2)[C@H]1CC ZINC001087484406 801749827 /nfs/dbraw/zinc/74/98/27/801749827.db2.gz FBRGGOPRSSUBTI-JKSUJKDBSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)[C@H]1CC ZINC001087654246 801758472 /nfs/dbraw/zinc/75/84/72/801758472.db2.gz RGYURROHGZSEDC-LVQVYYBASA-N 1 1 292.467 3.214 20 30 CGEDMO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](CCC(C)C)CC[C@@H]2C1 ZINC001088066790 801772859 /nfs/dbraw/zinc/77/28/59/801772859.db2.gz ZBKIRGCKBKCCAD-CVEARBPZSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC2CCCCC2)[C@H]1C ZINC001088458903 801793707 /nfs/dbraw/zinc/79/37/07/801793707.db2.gz SNVWDHAGSJDNPJ-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CC2CCCCC2)[C@H]1C ZINC001088458954 801794000 /nfs/dbraw/zinc/79/40/00/801794000.db2.gz UYXIYZFVQPBPKB-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)[C@H]1C ZINC001088585997 801802135 /nfs/dbraw/zinc/80/21/35/801802135.db2.gz ATLCQNAJRMKGKE-ZACQAIPSSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC23CC3)[C@H]1C ZINC001088659618 801803857 /nfs/dbraw/zinc/80/38/57/801803857.db2.gz ZHWCDMYTUNOIRT-PMPSAXMXSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C2(C)CC2)[C@H]1C ZINC001088852073 801812544 /nfs/dbraw/zinc/81/25/44/801812544.db2.gz DCIUGFIAUHJDTD-PBHICJAKSA-N 1 1 298.430 3.117 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C2CCCC2)CC(C)(C)C1 ZINC001089299479 801830453 /nfs/dbraw/zinc/83/04/53/801830453.db2.gz UAMPJEWNVAQKEB-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)C2CC2)CC(C)(C)C1 ZINC001089351973 801832542 /nfs/dbraw/zinc/83/25/42/801832542.db2.gz PJSZFRSNTUTHCC-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2(C)CCCC2)CC(C)(C)C1 ZINC001089456714 801839214 /nfs/dbraw/zinc/83/92/14/801839214.db2.gz LUMLQMPETQTVJT-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C1CCCC1)C2 ZINC001096313780 801886799 /nfs/dbraw/zinc/88/67/99/801886799.db2.gz OKURUPKXOSVHTG-SIXLDLHFSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC=CCC1)C2 ZINC001097653690 801901685 /nfs/dbraw/zinc/90/16/85/801901685.db2.gz OJAGESIOIJPZJT-HZMVEIRTSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC1(C)C)C2 ZINC001097667076 801902077 /nfs/dbraw/zinc/90/20/77/801902077.db2.gz NREBFJNKXJMSLF-QXSJWSMHSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCC=CCC1)C2 ZINC001098425103 801910047 /nfs/dbraw/zinc/91/00/47/801910047.db2.gz QHDLLTPYODJYML-ZACQAIPSSA-N 1 1 288.435 3.030 20 30 CGEDMO C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC1CC1 ZINC001098848770 801916946 /nfs/dbraw/zinc/91/69/46/801916946.db2.gz DLTMGJWDNBQXMK-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)CC ZINC001098916775 801919858 /nfs/dbraw/zinc/91/98/58/801919858.db2.gz UFJMXVHPSXCUMG-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC(C)C ZINC001098895642 801920997 /nfs/dbraw/zinc/92/09/97/801920997.db2.gz VZWFUCOSEOVGAA-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)CCC ZINC001098983828 801924756 /nfs/dbraw/zinc/92/47/56/801924756.db2.gz UJRVAURYSRZBDH-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1(CC)CC1 ZINC001099224572 801934252 /nfs/dbraw/zinc/93/42/52/801934252.db2.gz DGSUJMQVJILVPM-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC[C@@H](C)CC ZINC001099280831 801935951 /nfs/dbraw/zinc/93/59/51/801935951.db2.gz MGDDLHONKMXAGF-HOTGVXAUSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](CC)CCC ZINC001099286464 801936197 /nfs/dbraw/zinc/93/61/97/801936197.db2.gz YCZFCPIOWSVVSU-HOTGVXAUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC(=O)N1C[C@H]2C[N@H+](CCCCCC)C[C@@]2(C)C1 ZINC001101168653 801974199 /nfs/dbraw/zinc/97/41/99/801974199.db2.gz OLZYVZUCLSBIMC-AEFFLSMTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)/C(C)=C\CC)[C@H](C)C1 ZINC001101778980 801990464 /nfs/dbraw/zinc/99/04/64/801990464.db2.gz GFUWBNGMEHDKMU-IWXLYOQMSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1C[N@@H+](C[C@@H](C)CC(C)C)C[C@H]1C ZINC001101805267 801991985 /nfs/dbraw/zinc/99/19/85/801991985.db2.gz KHOMYSVJNJDSNB-GVDBMIGSSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](CNC(=O)CCC2CCC2)[C@H](C)C1 ZINC001101859576 801993464 /nfs/dbraw/zinc/99/34/64/801993464.db2.gz KCTOEAMTXFRCEQ-NVXWUHKLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](CNC(=O)C[C@@H](C)CC)[C@H](C)C1 ZINC001101918630 801995686 /nfs/dbraw/zinc/99/56/86/801995686.db2.gz XRXJTEXKBHVOOB-ARFHVFGLSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](CNC(=O)C(C)=C2CCC2)[C@H](C)C1 ZINC001101949919 801996455 /nfs/dbraw/zinc/99/64/55/801996455.db2.gz BTVGDGXGIVOSDV-RHSMWYFYSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CC2(C)CC2)[C@H](C)C1 ZINC001102166835 801999756 /nfs/dbraw/zinc/99/97/56/801999756.db2.gz FVOVUDJQTZERGO-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](CC[C@@H](C)F)C[C@H]1C ZINC001102219703 802000715 /nfs/dbraw/zinc/00/07/15/802000715.db2.gz QYUTVEMKOBKMBF-RBSFLKMASA-N 1 1 298.446 3.021 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](CC=C(C)C)C[C@H]1C ZINC001102261312 802002786 /nfs/dbraw/zinc/00/27/86/802002786.db2.gz VLNCMKSGFCLOMA-BRWVUGGUSA-N 1 1 292.467 3.239 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)CC(CC)CC)[C@H](C)C1 ZINC001102483747 802008986 /nfs/dbraw/zinc/00/89/86/802008986.db2.gz DOHPJCNWDAUIFZ-NVXWUHKLSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](CNC(=O)C[C@@H](C)C2CC2)[C@H](C)C1 ZINC001102602466 802013317 /nfs/dbraw/zinc/01/33/17/802013317.db2.gz RBVFVDHZDWKUKP-BFYDXBDKSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC(C)(C)C2CC2)C1 ZINC001102948711 802024460 /nfs/dbraw/zinc/02/44/60/802024460.db2.gz SGVWXARPKGWHMX-HUUCEWRRSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)C2CCC2)C1 ZINC001103133815 802027554 /nfs/dbraw/zinc/02/75/54/802027554.db2.gz LVWVGNDYDNQZOI-HLLBOEOZSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)C2CCC2)C1 ZINC001103133814 802027906 /nfs/dbraw/zinc/02/79/06/802027906.db2.gz LVWVGNDYDNQZOI-BFYDXBDKSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C/C=C(/C)C=C)C1 ZINC001103329417 802031240 /nfs/dbraw/zinc/03/12/40/802031240.db2.gz PKGCZBMHHXFKCH-SPMFNHFHSA-N 1 1 290.451 3.159 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)CCC3CCC3)CCC[C@@H]12 ZINC001107350641 802085678 /nfs/dbraw/zinc/08/56/78/802085678.db2.gz NWEWIRORYWZFHU-SJLPKXTDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)C(=C)C)CCC[C@@H]12 ZINC001107496895 802089383 /nfs/dbraw/zinc/08/93/83/802089383.db2.gz MASUNOLCISVBGV-CRAIPNDOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)C)CCC[C@@H]12 ZINC001107617711 802092190 /nfs/dbraw/zinc/09/21/90/802092190.db2.gz PCAJMZVQYKTFOL-CRAIPNDOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C=C(/C)C1CC1)C2 ZINC001109004681 802105901 /nfs/dbraw/zinc/10/59/01/802105901.db2.gz NBOLKVCSCRIZBB-AYDLDTFMSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(CC)CC ZINC001109604276 802119593 /nfs/dbraw/zinc/11/95/93/802119593.db2.gz BICLGDQSXURNKN-PMPSAXMXSA-N 1 1 292.467 3.356 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(CC)CC)C2 ZINC001109892745 802127321 /nfs/dbraw/zinc/12/73/21/802127321.db2.gz FYKMPEFQVBCEBL-PMPSAXMXSA-N 1 1 278.440 3.110 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CC(C)C)C2 ZINC001109894619 802127787 /nfs/dbraw/zinc/12/77/87/802127787.db2.gz PEKTXDDBCQZCFE-NCOADZHNSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)CC(C)C)C2 ZINC001109964522 802129377 /nfs/dbraw/zinc/12/93/77/802129377.db2.gz QHYIWDBXYWHYMT-NCOADZHNSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)/C(C)=C/CC)C2 ZINC001110349103 802137668 /nfs/dbraw/zinc/13/76/68/802137668.db2.gz HRRADUYUZDHLMK-MMYIAGEESA-N 1 1 290.451 3.419 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C=C(CC)CC)C2 ZINC001110446789 802142299 /nfs/dbraw/zinc/14/22/99/802142299.db2.gz YAQQCTSNHDCXMM-ZACQAIPSSA-N 1 1 290.451 3.421 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(C)C ZINC001110605992 802147107 /nfs/dbraw/zinc/14/71/07/802147107.db2.gz QUQAVBLJDCIPCE-OAGGEKHMSA-N 1 1 276.424 3.030 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1 ZINC001110933402 802150109 /nfs/dbraw/zinc/15/01/09/802150109.db2.gz LJHHBZYPDGPJDG-DZUCGIPZSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC/C=C\CC ZINC001110964561 802152324 /nfs/dbraw/zinc/15/23/24/802152324.db2.gz QIICHYUKZPTTSW-SIGXGZAZSA-N 1 1 290.451 3.421 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H](C)CC)C2 ZINC001111178473 802156645 /nfs/dbraw/zinc/15/66/45/802156645.db2.gz ULRCGOQTWXQCQP-JJXSEGSLSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC(C)(C)CC)C1 ZINC001111761829 802168476 /nfs/dbraw/zinc/16/84/76/802168476.db2.gz NULIQECKPJEPKY-YJBOKZPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1CCC1)C2 ZINC001111764772 802168963 /nfs/dbraw/zinc/16/89/63/802168963.db2.gz AKVRIDAQPITGNL-WMZOPIPTSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)C(C)(C)C)C1 ZINC001111955885 802171790 /nfs/dbraw/zinc/17/17/90/802171790.db2.gz XZHFMPJVGUFGDU-MPGHIAIKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC(=O)N1CC[NH+]([C@@H](C)c2cccc(C)c2)CC1 ZINC001112688048 802184804 /nfs/dbraw/zinc/18/48/04/802184804.db2.gz DXINEDWWCMSFDC-INIZCTEOSA-N 1 1 286.419 3.166 20 30 CGEDMO C=CC[NH+]1CCN(c2nccc3cc(Cl)ccc32)CC1 ZINC001165031948 806967150 /nfs/dbraw/zinc/96/71/50/806967150.db2.gz ZZRIPSPSLGUFOI-UHFFFAOYSA-N 1 1 287.794 3.196 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)C[C@H](C)CC(C)(C)C)CC1 ZINC001113380943 802217388 /nfs/dbraw/zinc/21/73/88/802217388.db2.gz WWNFZHLOVBQDGG-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC(C)C ZINC001114873047 802247424 /nfs/dbraw/zinc/24/74/24/802247424.db2.gz QFLLAOWWBWXEFK-LISAXSMJSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@](C)(CC)CCCCC ZINC001115318569 802256896 /nfs/dbraw/zinc/25/68/96/802256896.db2.gz VKLNKXUYDTYSML-MUQADHOPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001116345810 802331734 /nfs/dbraw/zinc/33/17/34/802331734.db2.gz HPKBMIVRGMOXFK-HUUCEWRRSA-N 1 1 299.418 3.069 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cc(C)c(C)cc2C)C1 ZINC001116576432 802381024 /nfs/dbraw/zinc/38/10/24/802381024.db2.gz ZEOFQGQKBDVNQH-KRWDZBQOSA-N 1 1 259.393 3.389 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CC[C@](CF)(C(F)(F)F)C1 ZINC001172491145 808350417 /nfs/dbraw/zinc/35/04/17/808350417.db2.gz CCZFQNKYZYCUFH-WDEREUQCSA-N 1 1 266.282 3.293 20 30 CGEDMO CCCCCCC[C@H](CCC)N1CCO[C@@H](C[NH3+])C1 ZINC001172501865 808358122 /nfs/dbraw/zinc/35/81/22/808358122.db2.gz LMLOLFSGYVURIR-HOTGVXAUSA-N 1 1 270.461 3.175 20 30 CGEDMO C#C[C@H]([NH2+]Cc1nc2c(s1)C[C@@H](C)CC2)C(C)(C)C ZINC001117645786 802474341 /nfs/dbraw/zinc/47/43/41/802474341.db2.gz MGLQNKAZOWXXPF-FZMZJTMJSA-N 1 1 276.449 3.405 20 30 CGEDMO C#CC[N@H+](CC1CC1)[C@@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC001117993139 802516376 /nfs/dbraw/zinc/51/63/76/802516376.db2.gz NXCYGZPBBMSNAV-AWEZNQCLSA-N 1 1 295.386 3.451 20 30 CGEDMO C#CC[N@@H+](CC1CC1)[C@@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC001117993139 802516384 /nfs/dbraw/zinc/51/63/84/802516384.db2.gz NXCYGZPBBMSNAV-AWEZNQCLSA-N 1 1 295.386 3.451 20 30 CGEDMO Cc1ccc(C[N@H+](C)C[C@@](C)(O)c2ccccc2)cc1C#N ZINC001118825369 802607852 /nfs/dbraw/zinc/60/78/52/802607852.db2.gz PKSUFSYWGVJPQQ-LJQANCHMSA-N 1 1 294.398 3.206 20 30 CGEDMO N#CC1(CCCC[N@H+]2CC[C@H]3OCCC[C@@H]3C2)CCC1 ZINC001119684939 802691621 /nfs/dbraw/zinc/69/16/21/802691621.db2.gz JAGBQEISARQGJD-HZPDHXFCSA-N 1 1 276.424 3.351 20 30 CGEDMO C#CC[N@H+](CC)Cc1cccc(Oc2ccccn2)c1 ZINC001180280564 809989433 /nfs/dbraw/zinc/98/94/33/809989433.db2.gz KXNKDSSZMSVQDC-UHFFFAOYSA-N 1 1 266.344 3.329 20 30 CGEDMO CC[N@@H+](Cc1cncc(C#N)c1)[C@H](C)Cc1ccsc1 ZINC001119827819 802701963 /nfs/dbraw/zinc/70/19/63/802701963.db2.gz GIMACALMGIWXIF-CYBMUJFWSA-N 1 1 285.416 3.468 20 30 CGEDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2c2ccc(C#N)cc2Cl)C1 ZINC001119947003 802712180 /nfs/dbraw/zinc/71/21/80/802712180.db2.gz JYQHXIRSISYWBJ-ZFWWWQNUSA-N 1 1 289.810 3.132 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCC)C1 ZINC001120289865 802738332 /nfs/dbraw/zinc/73/83/32/802738332.db2.gz IIHBEOVWHHDIAT-DLBZAZTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CCC=C)C1 ZINC001120348089 802740928 /nfs/dbraw/zinc/74/09/28/802740928.db2.gz PIFOBSHUULJYIB-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CC)C1 ZINC001120391710 802743808 /nfs/dbraw/zinc/74/38/08/802743808.db2.gz GELJAIFAQNVTFE-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO N#Cc1cc(Cl)nc(NC[C@H]2CCCC[N@H+]2C2CC2)c1 ZINC001120841238 802786543 /nfs/dbraw/zinc/78/65/43/802786543.db2.gz ULOMGEBWUWJNHX-CYBMUJFWSA-N 1 1 290.798 3.035 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)CCC)C1 ZINC001206503057 813338376 /nfs/dbraw/zinc/33/83/76/813338376.db2.gz SANGDDYOMQCGOW-YRGRVCCFSA-N 1 1 286.847 3.002 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)CCC)C1 ZINC001206503057 813338383 /nfs/dbraw/zinc/33/83/83/813338383.db2.gz SANGDDYOMQCGOW-YRGRVCCFSA-N 1 1 286.847 3.002 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H](NC(=O)CC)CC[C@@H]1C ZINC001131736217 803337799 /nfs/dbraw/zinc/33/77/99/803337799.db2.gz WOJCAUIAHHYQIO-GJZGRUSLSA-N 1 1 266.429 3.112 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)CCC2CCCC2)CC[C@H]1C ZINC001131764704 803343627 /nfs/dbraw/zinc/34/36/27/803343627.db2.gz MFXVQSLCHVYEKC-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)CCCCC)CC[C@H]1C ZINC001131817382 803348242 /nfs/dbraw/zinc/34/82/42/803348242.db2.gz MLSPBQRREDPLJM-CABCVRRESA-N 1 1 266.429 3.112 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@H](NC(=O)/C=C(/C)C2CC2)CC[C@@H]1C ZINC001131904597 803355002 /nfs/dbraw/zinc/35/50/02/803355002.db2.gz SSBRGTPQTJECDY-IYEDRLCXSA-N 1 1 296.842 3.064 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)/C=C(/C)C2CC2)CC[C@@H]1C ZINC001131904597 803355003 /nfs/dbraw/zinc/35/50/03/803355003.db2.gz SSBRGTPQTJECDY-IYEDRLCXSA-N 1 1 296.842 3.064 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)CSCCC)CC[C@@H]1C ZINC001131904700 803355538 /nfs/dbraw/zinc/35/55/38/803355538.db2.gz VMPNTZXMQSXUDB-GJZGRUSLSA-N 1 1 298.496 3.065 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)CCCC(C)(C)C)CC[C@H]1C ZINC001131900345 803355727 /nfs/dbraw/zinc/35/57/27/803355727.db2.gz XCYCLHZJTOIRKQ-HUUCEWRRSA-N 1 1 280.456 3.358 20 30 CGEDMO C#CCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC=C(C)C)C1 ZINC001131976436 803362753 /nfs/dbraw/zinc/36/27/53/803362753.db2.gz KMLJIBOJAIIKKT-IAGOWNOFSA-N 1 1 290.451 3.115 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)CC2(C)CCCC2)CC[C@H]1C ZINC001132014360 803366623 /nfs/dbraw/zinc/36/66/23/803366623.db2.gz VCTWEILPOOHERL-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)CC2(C)CCCC2)CC[C@H]1C ZINC001132014358 803367641 /nfs/dbraw/zinc/36/76/41/803367641.db2.gz VCTWEILPOOHERL-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(C)C)C1 ZINC001132057603 803369513 /nfs/dbraw/zinc/36/95/13/803369513.db2.gz RQKWXAZISISTIH-RDJZCZTQSA-N 1 1 292.467 3.380 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](C/C=C\Cl)C1 ZINC001132073580 803371672 /nfs/dbraw/zinc/37/16/72/803371672.db2.gz WSQAQXVMUAYPFX-WOHRWDJGSA-N 1 1 284.831 3.064 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](C/C=C\Cl)C1 ZINC001132073580 803371676 /nfs/dbraw/zinc/37/16/76/803371676.db2.gz WSQAQXVMUAYPFX-WOHRWDJGSA-N 1 1 284.831 3.064 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCCCCF)C1 ZINC001132073987 803372912 /nfs/dbraw/zinc/37/29/12/803372912.db2.gz ZBMUYJLWMOUIBV-HZPDHXFCSA-N 1 1 298.446 3.452 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)c2cc(C)co2)CC[C@H]1C ZINC001132235382 803383203 /nfs/dbraw/zinc/38/32/03/803383203.db2.gz MSNPFSUXODUWEI-HUUCEWRRSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCCCCF)C1 ZINC001132256140 803388570 /nfs/dbraw/zinc/38/85/70/803388570.db2.gz JTUKRPFDUWIDNS-CVEARBPZSA-N 1 1 298.446 3.452 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCCC=C)C1 ZINC001132256963 803389100 /nfs/dbraw/zinc/38/91/00/803389100.db2.gz RMBYJRQOJBEBRN-JKSUJKDBSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)CCCC(C)C)CC[C@H]1C ZINC001132319054 803395191 /nfs/dbraw/zinc/39/51/91/803395191.db2.gz UBTFZBGFJJZMLY-HZPDHXFCSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](C/C=C/Cl)C1 ZINC001132330317 803396909 /nfs/dbraw/zinc/39/69/09/803396909.db2.gz FMXNWBRMPRYRMX-FLEJHELKSA-N 1 1 298.858 3.310 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](C/C=C/Cl)C1 ZINC001132330317 803396915 /nfs/dbraw/zinc/39/69/15/803396915.db2.gz FMXNWBRMPRYRMX-FLEJHELKSA-N 1 1 298.858 3.310 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)C(CC)(CC)CC)CC[C@H]1C ZINC001132384856 803398837 /nfs/dbraw/zinc/39/88/37/803398837.db2.gz UUGVTRMQGGUSCS-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO N#Cc1ccc2c(c1)CC[N@H+](Cc1ccc3c(c1)COC3)C2 ZINC001137023293 803672214 /nfs/dbraw/zinc/67/22/14/803672214.db2.gz KLPRVRIIKBFQOE-UHFFFAOYSA-N 1 1 290.366 3.147 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1ccc(OCC#N)cc1 ZINC001137119441 803685463 /nfs/dbraw/zinc/68/54/63/803685463.db2.gz OAOKBFUFHYRWQJ-UHFFFAOYSA-N 1 1 271.364 3.105 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1ccc(OCC#N)cc1 ZINC001137119441 803685467 /nfs/dbraw/zinc/68/54/67/803685467.db2.gz OAOKBFUFHYRWQJ-UHFFFAOYSA-N 1 1 271.364 3.105 20 30 CGEDMO N#CCC[N@@H+](Cc1c[nH]c2ncccc12)C1CCCC1 ZINC001137401877 803728732 /nfs/dbraw/zinc/72/87/32/803728732.db2.gz KACWIWQEQUQNNU-UHFFFAOYSA-N 1 1 268.364 3.221 20 30 CGEDMO Fc1cc(C[NH+]2CCC(S)CC2)ccc1Cl ZINC001137654500 803751629 /nfs/dbraw/zinc/75/16/29/803751629.db2.gz UYHWCNORCANBES-UHFFFAOYSA-N 1 1 259.777 3.373 20 30 CGEDMO Cc1ccc(C[NH+]2CCC(CC#N)CC2)c(F)c1F ZINC001137968484 803810550 /nfs/dbraw/zinc/81/05/50/803810550.db2.gz HAOGYHKEJOUNRS-UHFFFAOYSA-N 1 1 264.319 3.399 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1c[nH]nc1-c1cccs1 ZINC001138155564 803868263 /nfs/dbraw/zinc/86/82/63/803868263.db2.gz WXNOLRBLACJDAL-UHFFFAOYSA-N 1 1 274.393 3.264 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1c[nH]nc1-c1cccs1 ZINC001138155564 803868272 /nfs/dbraw/zinc/86/82/72/803868272.db2.gz WXNOLRBLACJDAL-UHFFFAOYSA-N 1 1 274.393 3.264 20 30 CGEDMO CC[N@H+](CCC#N)Cc1c(C)n(C)c2ccccc21 ZINC001138257184 803882090 /nfs/dbraw/zinc/88/20/90/803882090.db2.gz ZPOLOBFCUVBYSC-UHFFFAOYSA-N 1 1 255.365 3.222 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1c(C)n(C)c2ccccc21 ZINC001138257184 803882101 /nfs/dbraw/zinc/88/21/01/803882101.db2.gz ZPOLOBFCUVBYSC-UHFFFAOYSA-N 1 1 255.365 3.222 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC3(CCCC3)C2)cc1OC ZINC001138345266 803899258 /nfs/dbraw/zinc/89/92/58/803899258.db2.gz BFDXKAWFQKVPEK-UHFFFAOYSA-N 1 1 299.414 3.473 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc2c(c1)CCCN2C ZINC001138356361 803901091 /nfs/dbraw/zinc/90/10/91/803901091.db2.gz MOJDUXJXXBKWFB-UHFFFAOYSA-N 1 1 258.409 3.467 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1ccc2c(c1)CCCN2C ZINC001138358764 803902192 /nfs/dbraw/zinc/90/21/92/803902192.db2.gz ZKZWXDWCJGZTAD-UHFFFAOYSA-N 1 1 271.408 3.195 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1ccc2c(c1)CCCN2C ZINC001138358764 803902197 /nfs/dbraw/zinc/90/21/97/803902197.db2.gz ZKZWXDWCJGZTAD-UHFFFAOYSA-N 1 1 271.408 3.195 20 30 CGEDMO C#CC[N@H+](C)Cc1cccc(-c2ccc(OC)cc2)c1 ZINC001138614618 803981007 /nfs/dbraw/zinc/98/10/07/803981007.db2.gz BFWGKXUVDCOBDQ-UHFFFAOYSA-N 1 1 265.356 3.427 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2CCc3c(O)cccc3C2)c1O ZINC001138625321 803982855 /nfs/dbraw/zinc/98/28/55/803982855.db2.gz JFTAZHACQCDXFU-UHFFFAOYSA-N 1 1 295.382 3.385 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CCC[C@@](C)(O)[C@@H](C)C2)c1O ZINC001138625325 803983448 /nfs/dbraw/zinc/98/34/48/803983448.db2.gz JITMGFHHXZTURH-KBXCAEBGSA-N 1 1 289.419 3.104 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2CCC(F)(F)[C@H](F)C2)c1O ZINC001138625432 803984020 /nfs/dbraw/zinc/98/40/20/803984020.db2.gz KTXWYCXZCSRVGK-CYBMUJFWSA-N 1 1 285.309 3.300 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CCC(F)(F)[C@H](F)C2)c1O ZINC001138625432 803984024 /nfs/dbraw/zinc/98/40/24/803984024.db2.gz KTXWYCXZCSRVGK-CYBMUJFWSA-N 1 1 285.309 3.300 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C)c1O ZINC001138631344 803986411 /nfs/dbraw/zinc/98/64/11/803986411.db2.gz PWZVAPYIOFDKLV-CZUORRHYSA-N 1 1 275.392 3.120 20 30 CGEDMO CCCn1ncc(C[N@H+](C)Cc2ccc(C#N)cc2)c1C ZINC001138638175 803991022 /nfs/dbraw/zinc/99/10/22/803991022.db2.gz JQUZSXYDJUZISD-UHFFFAOYSA-N 1 1 282.391 3.105 20 30 CGEDMO CCCn1ncc(C[N@@H+](C)Cc2ccc(C#N)cc2)c1C ZINC001138638175 803991032 /nfs/dbraw/zinc/99/10/32/803991032.db2.gz JQUZSXYDJUZISD-UHFFFAOYSA-N 1 1 282.391 3.105 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CCC[C@@H](O)[C@H](C)C1 ZINC001138662046 803994847 /nfs/dbraw/zinc/99/48/47/803994847.db2.gz NTCACXZLASCRQO-NVXWUHKLSA-N 1 1 289.419 3.234 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1CCCC(=O)[C@H](C)C1 ZINC001138662894 803996032 /nfs/dbraw/zinc/99/60/32/803996032.db2.gz GTOOJSIMORFIPF-OAHLLOKOSA-N 1 1 287.403 3.443 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CCCC(=O)[C@H](C)C1 ZINC001138662894 803996038 /nfs/dbraw/zinc/99/60/38/803996038.db2.gz GTOOJSIMORFIPF-OAHLLOKOSA-N 1 1 287.403 3.443 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccccc2OC(F)F)CC1 ZINC001138910960 804071609 /nfs/dbraw/zinc/07/16/09/804071609.db2.gz GPVZWZUNQWPCBG-GFCCVEGCSA-N 1 1 280.318 3.414 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2ccccc2OC(F)F)CC1 ZINC001138910960 804071619 /nfs/dbraw/zinc/07/16/19/804071619.db2.gz GPVZWZUNQWPCBG-GFCCVEGCSA-N 1 1 280.318 3.414 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[N@@H+]1CC2CC1(CN)C2 ZINC001246026318 804100876 /nfs/dbraw/zinc/10/08/76/804100876.db2.gz MIKDTRZBNMQAGS-LXPRWKDFSA-N 1 1 296.499 3.301 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[N@H+]1CC2CC1(CN)C2 ZINC001246026318 804100877 /nfs/dbraw/zinc/10/08/77/804100877.db2.gz MIKDTRZBNMQAGS-LXPRWKDFSA-N 1 1 296.499 3.301 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC(C)(C)C[C@]1(C)CO ZINC001139028802 804111934 /nfs/dbraw/zinc/11/19/34/804111934.db2.gz CTZLPDGZJIJUHQ-GOSISDBHSA-N 1 1 289.419 3.234 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001139029012 804112180 /nfs/dbraw/zinc/11/21/80/804112180.db2.gz NGUZUXWIEHEVAS-CRAIPNDOSA-N 1 1 287.403 3.252 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CC[C@]2(C1)CCCCO2 ZINC001139028773 804112679 /nfs/dbraw/zinc/11/26/79/804112679.db2.gz BXKIMJBNIDGUCI-SFHVURJKSA-N 1 1 287.403 3.396 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+](CC)CCCC(=O)OC ZINC001139029432 804114506 /nfs/dbraw/zinc/11/45/06/804114506.db2.gz XWNVXCBWQCNPLJ-UHFFFAOYSA-N 1 1 291.391 3.027 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cccc3c2ccn3C)C1 ZINC001139158819 804144703 /nfs/dbraw/zinc/14/47/03/804144703.db2.gz DZRISNOWIKMLJA-CQSZACIVSA-N 1 1 252.361 3.024 20 30 CGEDMO CCCCCCCC[C@@H](CC)[NH2+]C[C@@]12CN[C@@H](CO1)C2 ZINC001246144093 804166537 /nfs/dbraw/zinc/16/65/37/804166537.db2.gz BIKMAEWXEQXJNT-ZACQAIPSSA-N 1 1 282.472 3.236 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)cc1F ZINC001139526662 804201781 /nfs/dbraw/zinc/20/17/81/804201781.db2.gz DPIUHFZXVMKACU-BETUJISGSA-N 1 1 280.293 3.174 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](C(F)F)C2)cc1F ZINC001139527246 804202286 /nfs/dbraw/zinc/20/22/86/804202286.db2.gz CEUMWQNGGVSIHX-LBPRGKRZSA-N 1 1 268.282 3.174 20 30 CGEDMO COc1ccc(C[NH+]2CC(CC#N)C2)cc1C(C)C ZINC001139616508 804229916 /nfs/dbraw/zinc/22/99/16/804229916.db2.gz LEHLAMQRAVQWGG-UHFFFAOYSA-N 1 1 258.365 3.164 20 30 CGEDMO C#Cc1cccc(CN[C@@H]2CC[NH2+][C@@H](CCCC)C2)c1 ZINC001246261404 804242134 /nfs/dbraw/zinc/24/21/34/804242134.db2.gz DHPGQFINKARYST-ZWKOTPCHSA-N 1 1 270.420 3.068 20 30 CGEDMO N#Cc1c(Cl)cccc1C[N@H+]1CCC[C@@H](CF)C1 ZINC001139690767 804256829 /nfs/dbraw/zinc/25/68/29/804256829.db2.gz JEFKRHWOEKRLTE-NSHDSACASA-N 1 1 266.747 3.393 20 30 CGEDMO N#Cc1c(Cl)cccc1C[N@@H+]1CCC[C@@H](CF)C1 ZINC001139690767 804256832 /nfs/dbraw/zinc/25/68/32/804256832.db2.gz JEFKRHWOEKRLTE-NSHDSACASA-N 1 1 266.747 3.393 20 30 CGEDMO C[C@]1(F)CC[N@H+](Cc2c[nH]c3c2cccc3C#N)C[C@H]1F ZINC001139701203 804257881 /nfs/dbraw/zinc/25/78/81/804257881.db2.gz CNNZOFWEYRXUQE-ZBFHGGJFSA-N 1 1 289.329 3.312 20 30 CGEDMO C[C@]1(F)CC[N@@H+](Cc2c[nH]c3c2cccc3C#N)C[C@H]1F ZINC001139701203 804257887 /nfs/dbraw/zinc/25/78/87/804257887.db2.gz CNNZOFWEYRXUQE-ZBFHGGJFSA-N 1 1 289.329 3.312 20 30 CGEDMO CC1(C)C[N@@H+](Cc2c[nH]c3c2cccc3C#N)[C@@](C)(CO)C1 ZINC001139702264 804259207 /nfs/dbraw/zinc/25/92/07/804259207.db2.gz YGQFDBMMHSQXLB-GOSISDBHSA-N 1 1 297.402 3.022 20 30 CGEDMO C=CCn1cc(C[N@@H+]2CCCC3(CC(F)C3)CC2)cn1 ZINC001139770795 804278468 /nfs/dbraw/zinc/27/84/68/804278468.db2.gz BETQGYRTKZTFBL-UHFFFAOYSA-N 1 1 277.387 3.173 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(F)c(Cl)c2)no1 ZINC001212325354 815005574 /nfs/dbraw/zinc/00/55/74/815005574.db2.gz PRDLTUXWYRFADH-LBPRGKRZSA-N 1 1 293.729 3.332 20 30 CGEDMO CC(C)[C@H](N)C[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246330644 804285964 /nfs/dbraw/zinc/28/59/64/804285964.db2.gz DNOFIKZALDCOSZ-DAWZGUTISA-N 1 1 285.435 3.157 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(Cl)c(F)c2)no1 ZINC001212325594 815005822 /nfs/dbraw/zinc/00/58/22/815005822.db2.gz WPEVJKGCLYLCGA-LBPRGKRZSA-N 1 1 293.729 3.332 20 30 CGEDMO N#Cc1cc(F)cc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)c1 ZINC001139877351 804307836 /nfs/dbraw/zinc/30/78/36/804307836.db2.gz HCCKVLXITKJRBE-CABCVRRESA-N 1 1 258.340 3.319 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1cc(F)ccc1O ZINC001140055557 804362071 /nfs/dbraw/zinc/36/20/71/804362071.db2.gz KUHGRUAJSHZVFK-UHFFFAOYSA-N 1 1 250.317 3.047 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1cc(F)ccc1O ZINC001140055557 804362080 /nfs/dbraw/zinc/36/20/80/804362080.db2.gz KUHGRUAJSHZVFK-UHFFFAOYSA-N 1 1 250.317 3.047 20 30 CGEDMO CCCCN(CCC#N)Cc1[nH]nc2ccc(OC)cc21 ZINC001140068060 804369749 /nfs/dbraw/zinc/36/97/49/804369749.db2.gz ZYGHALOZDVIYRT-UHFFFAOYSA-N 1 1 286.379 3.087 20 30 CGEDMO CC1(C#N)CC[NH+](Cc2ccc(O)cc2Cl)CC1 ZINC001140083202 804372892 /nfs/dbraw/zinc/37/28/92/804372892.db2.gz JFRRGZKXENBSCI-UHFFFAOYSA-N 1 1 264.756 3.171 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccc(O)cc2Cl)CC1 ZINC001140085762 804375832 /nfs/dbraw/zinc/37/58/32/804375832.db2.gz YRWOUUUWPQHPGO-LLVKDONJSA-N 1 1 264.756 3.171 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2ccc(O)cc2Cl)CC1 ZINC001140085762 804375841 /nfs/dbraw/zinc/37/58/41/804375841.db2.gz YRWOUUUWPQHPGO-LLVKDONJSA-N 1 1 264.756 3.171 20 30 CGEDMO C[N@@H+](Cc1c[nH]c2ccc(C#N)cc12)Cc1ccccn1 ZINC001140111468 804379991 /nfs/dbraw/zinc/37/99/91/804379991.db2.gz JZQBTVLVJBEPTR-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO C[C@]1(F)CC[N@H+](Cc2c[nH]c3ccc(C#N)cc23)C[C@H]1F ZINC001140111049 804380166 /nfs/dbraw/zinc/38/01/66/804380166.db2.gz XNYOUASYPTYLGL-CVEARBPZSA-N 1 1 289.329 3.312 20 30 CGEDMO C[C@]1(F)CC[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)C[C@H]1F ZINC001140111049 804380172 /nfs/dbraw/zinc/38/01/72/804380172.db2.gz XNYOUASYPTYLGL-CVEARBPZSA-N 1 1 289.329 3.312 20 30 CGEDMO N#Cc1ccc2[nH]cc(C[N@@H+]3CCC[C@@H](F)CC3)c2c1 ZINC001140110214 804380419 /nfs/dbraw/zinc/38/04/19/804380419.db2.gz GITTVLYWJPQJDS-CQSZACIVSA-N 1 1 271.339 3.364 20 30 CGEDMO COc1cccc(CC[N@@H+](C)Cc2ccc(C#N)cc2F)c1 ZINC001140139167 804386104 /nfs/dbraw/zinc/38/61/04/804386104.db2.gz KFVICVULUUERKN-UHFFFAOYSA-N 1 1 298.361 3.380 20 30 CGEDMO CCCCCCC[C@H](CC(C)C)[N@@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246556191 804406027 /nfs/dbraw/zinc/40/60/27/804406027.db2.gz BLHJNDFYTZXOIW-BRWVUGGUSA-N 1 1 284.488 3.156 20 30 CGEDMO CCCCCCC[C@H](CC(C)C)[N@H+]1CC[C@@H](N)[C@H](O)C1 ZINC001246556191 804406030 /nfs/dbraw/zinc/40/60/30/804406030.db2.gz BLHJNDFYTZXOIW-BRWVUGGUSA-N 1 1 284.488 3.156 20 30 CGEDMO C=CC[NH+]1CCN(Cc2ccccc2-c2nccs2)CC1 ZINC001140452057 804439892 /nfs/dbraw/zinc/43/98/92/804439892.db2.gz FKXBOUYZQLHPFE-UHFFFAOYSA-N 1 1 299.443 3.114 20 30 CGEDMO CCCCCCCC[C@H](CCC)[N@H+]1CCNC[C@@H](O)C1 ZINC001246602761 804440315 /nfs/dbraw/zinc/44/03/15/804440315.db2.gz PLKYFEZULPOXJW-DLBZAZTESA-N 1 1 284.488 3.172 20 30 CGEDMO CC1(C)C[N@@H+](Cc2cc(C#N)ccc2Cl)[C@](C)(CO)C1 ZINC001140600476 804471573 /nfs/dbraw/zinc/47/15/73/804471573.db2.gz LAFGFDUEMYENCQ-INIZCTEOSA-N 1 1 292.810 3.195 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccccc1CC(=O)OC ZINC001140654703 804484584 /nfs/dbraw/zinc/48/45/84/804484584.db2.gz XKCNCQLROJYBBP-UHFFFAOYSA-N 1 1 275.392 3.190 20 30 CGEDMO N#Cc1c(F)cc(C[NH+]2CC(c3ccccc3)C2)cc1F ZINC001140755035 804505973 /nfs/dbraw/zinc/50/59/73/804505973.db2.gz QXOPLFUUPNDARQ-UHFFFAOYSA-N 1 1 284.309 3.436 20 30 CGEDMO N#Cc1c(F)cc(C[N@H+]2CC[C@H](c3cccnc3)C2)cc1F ZINC001140754146 804506067 /nfs/dbraw/zinc/50/60/67/804506067.db2.gz PLTBLANZPZOXTP-AWEZNQCLSA-N 1 1 299.324 3.221 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1c(OC)cc(O)cc1OC ZINC001140773092 804510330 /nfs/dbraw/zinc/51/03/30/804510330.db2.gz KOXOQFXTPGBLQQ-UHFFFAOYSA-N 1 1 279.380 3.198 20 30 CGEDMO CC[C@@H]1CNCC[N@H+]1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246803652 804523808 /nfs/dbraw/zinc/52/38/08/804523808.db2.gz NOBHERNFQZQAIE-JLAWEPINSA-N 1 1 297.446 3.268 20 30 CGEDMO CC[C@@H]1C[NH2+]CCN1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246803652 804523811 /nfs/dbraw/zinc/52/38/11/804523811.db2.gz NOBHERNFQZQAIE-JLAWEPINSA-N 1 1 297.446 3.268 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2cccc(C#N)c2Cl)CC[C@]1(C)O ZINC001140808251 804525847 /nfs/dbraw/zinc/52/58/47/804525847.db2.gz NORONLKCQBYPPI-LRDDRELGSA-N 1 1 292.810 3.195 20 30 CGEDMO CN(C)CC[C@@H]([NH2+]C1CCC(C#N)CC1)c1ccccc1 ZINC001256953332 807014882 /nfs/dbraw/zinc/01/48/82/807014882.db2.gz HTXJKEOVXJCLLF-VMWRSERWSA-N 1 1 285.435 3.351 20 30 CGEDMO C=CCN(Cc1ccccc1)[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001246840790 804549590 /nfs/dbraw/zinc/54/95/90/804549590.db2.gz PYYNLQVCSCNPBT-QGZVFWFLSA-N 1 1 270.420 3.349 20 30 CGEDMO N#CC1CCC([N@@H+](Cc2cccnc2)C2CCOCC2)CC1 ZINC001256969029 807018617 /nfs/dbraw/zinc/01/86/17/807018617.db2.gz XXDYULJDLSZPQZ-UHFFFAOYSA-N 1 1 299.418 3.145 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+](C)C3(C)CCNCC3)C[C@H](C1)C2 ZINC001246905253 804590293 /nfs/dbraw/zinc/59/02/93/804590293.db2.gz BHUXHBOFVJJDTR-XYPWUTKMSA-N 1 1 262.441 3.195 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+](C)C3(C)CCNCC3)C[C@H](C1)C2 ZINC001246905253 804590299 /nfs/dbraw/zinc/59/02/99/804590299.db2.gz BHUXHBOFVJJDTR-XYPWUTKMSA-N 1 1 262.441 3.195 20 30 CGEDMO C=CC[N@H+](Cc1ccc2c(c1)OCCN2C)C(C)(C)C ZINC001141146432 804597934 /nfs/dbraw/zinc/59/79/34/804597934.db2.gz VISUDNPXBABKHY-UHFFFAOYSA-N 1 1 274.408 3.302 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+](C)[C@H]3CCCC[C@@H]3N)C[C@H](C1)C2 ZINC001246916333 804598797 /nfs/dbraw/zinc/59/87/97/804598797.db2.gz HOGYUMZIVCYERB-ALILYOIUSA-N 1 1 262.441 3.323 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+](C1CCC1)[C@@H]1CCCNC1 ZINC001246987689 804630522 /nfs/dbraw/zinc/63/05/22/804630522.db2.gz OAZUGKWNQNXKRZ-DNVCBOLYSA-N 1 1 297.446 3.096 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C1CCC1)[C@@H]1CCCNC1 ZINC001246987689 804630527 /nfs/dbraw/zinc/63/05/27/804630527.db2.gz OAZUGKWNQNXKRZ-DNVCBOLYSA-N 1 1 297.446 3.096 20 30 CGEDMO Cc1nc(C(F)(F)F)ccc1C[NH+]1CCC(C#N)CC1 ZINC001141421531 804639859 /nfs/dbraw/zinc/63/98/59/804639859.db2.gz NIDCVGXMTMYKKC-UHFFFAOYSA-N 1 1 283.297 3.144 20 30 CGEDMO CCCCCCCCNC(=S)N[C@@]1(C)CCC[N@@H+](C)C1 ZINC001247185908 804676458 /nfs/dbraw/zinc/67/64/58/804676458.db2.gz BPRXIQUUXJKOTM-INIZCTEOSA-N 1 1 299.528 3.295 20 30 CGEDMO CC[C@@H]([NH3+])c1nc(-c2cc(Cl)c(C#N)cc2Cl)no1 ZINC001247492747 804750562 /nfs/dbraw/zinc/75/05/62/804750562.db2.gz SIRITICUKFXZOD-SNVBAGLBSA-N 1 1 297.145 3.325 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2ccc(OC3CC3)cc2)no1 ZINC001247622627 804782831 /nfs/dbraw/zinc/78/28/31/804782831.db2.gz PBIHOGLIAVKQNR-AWEZNQCLSA-N 1 1 285.347 3.244 20 30 CGEDMO N#Cc1ccc2c(C[N@H+]3CC[C@@H]4OCCC[C@@H]4C3)c[nH]c2c1 ZINC001142912005 804783433 /nfs/dbraw/zinc/78/34/33/804783433.db2.gz RGDQAZQWQPUSSV-KDOFPFPSSA-N 1 1 295.386 3.040 20 30 CGEDMO C[N@H+](Cc1c[nH]c2cc(C#N)ccc12)CC1CCC1 ZINC001142920811 804783835 /nfs/dbraw/zinc/78/38/35/804783835.db2.gz CSMZIRGYULFFOH-UHFFFAOYSA-N 1 1 253.349 3.271 20 30 CGEDMO N#Cc1ccc2c(C[N@H+]3CCC[C@@H]4C[C@@H]43)c[nH]c2c1 ZINC001142925676 804784664 /nfs/dbraw/zinc/78/46/64/804784664.db2.gz AZVVYAGHCBHDGR-WBMJQRKESA-N 1 1 251.333 3.024 20 30 CGEDMO COCC[C@@H]1CCCC[N@@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143171282 804814140 /nfs/dbraw/zinc/81/41/40/804814140.db2.gz WAIGLCKAAYQGGQ-ZDUSSCGKSA-N 1 1 294.345 3.227 20 30 CGEDMO COCC[C@@H]1CCCC[N@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143171282 804814147 /nfs/dbraw/zinc/81/41/47/804814147.db2.gz WAIGLCKAAYQGGQ-ZDUSSCGKSA-N 1 1 294.345 3.227 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](c3cccnc3)C2)c1F ZINC001143173200 804814699 /nfs/dbraw/zinc/81/46/99/804814699.db2.gz RGHBNWSKYGZMRW-AWEZNQCLSA-N 1 1 299.324 3.221 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](c3cccnc3)C2)c1F ZINC001143173200 804814706 /nfs/dbraw/zinc/81/47/06/804814706.db2.gz RGHBNWSKYGZMRW-AWEZNQCLSA-N 1 1 299.324 3.221 20 30 CGEDMO C[C@H]1C[N@H+](Cc2c(F)ccc(C#N)c2F)C2(CC2)C1 ZINC001143175942 804816583 /nfs/dbraw/zinc/81/65/83/804816583.db2.gz MIZMRPOFWCUICZ-SNVBAGLBSA-N 1 1 262.303 3.211 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2c(F)ccc(C#N)c2F)C2(CC2)C1 ZINC001143175942 804816585 /nfs/dbraw/zinc/81/65/85/804816585.db2.gz MIZMRPOFWCUICZ-SNVBAGLBSA-N 1 1 262.303 3.211 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2ccc(OC(C)(C)C)cc2)no1 ZINC001247962559 804857622 /nfs/dbraw/zinc/85/76/22/804857622.db2.gz AQMGHKHWRGIKQA-ZDUSSCGKSA-N 1 1 287.363 3.490 20 30 CGEDMO C=CC[NH+]1CCN(Cc2cc(C)ccc2C(F)(F)F)CC1 ZINC001143676197 804884644 /nfs/dbraw/zinc/88/46/44/804884644.db2.gz IDGWTINJWNKGOY-UHFFFAOYSA-N 1 1 298.352 3.317 20 30 CGEDMO Cc1c(F)cc(F)cc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001143763956 804893726 /nfs/dbraw/zinc/89/37/26/804893726.db2.gz HECINMDEKNNBJI-GFCCVEGCSA-N 1 1 264.319 3.399 20 30 CGEDMO Cc1c(F)cc(F)cc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001143763956 804893733 /nfs/dbraw/zinc/89/37/33/804893733.db2.gz HECINMDEKNNBJI-GFCCVEGCSA-N 1 1 264.319 3.399 20 30 CGEDMO C=C[C@H](CC)CC(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC001143770330 804894904 /nfs/dbraw/zinc/89/49/04/804894904.db2.gz PLQWMINUQVNLIA-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cn3ccnc23)CC1 ZINC001248451722 804934658 /nfs/dbraw/zinc/93/46/58/804934658.db2.gz ISGGSNNHRRBLSE-GFCCVEGCSA-N 1 1 288.782 3.113 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2cc(Cl)cn3ccnc23)CC1 ZINC001248451722 804934662 /nfs/dbraw/zinc/93/46/62/804934662.db2.gz ISGGSNNHRRBLSE-GFCCVEGCSA-N 1 1 288.782 3.113 20 30 CGEDMO C[N@@H+](Cc1cncc(C#N)c1)C(C)(C)Cc1ccccc1 ZINC001144084364 804935575 /nfs/dbraw/zinc/93/55/75/804935575.db2.gz AYTNQHCHNAUGFC-UHFFFAOYSA-N 1 1 279.387 3.406 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2ccc(-n3cccc3)cc2)C1 ZINC001144246255 804961563 /nfs/dbraw/zinc/96/15/63/804961563.db2.gz ZUANHBGPOOLAEE-MRXNPFEDSA-N 1 1 265.360 3.213 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2ccc(-n3cccc3)cc2)C1 ZINC001144246255 804961566 /nfs/dbraw/zinc/96/15/66/804961566.db2.gz ZUANHBGPOOLAEE-MRXNPFEDSA-N 1 1 265.360 3.213 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001248748291 804982327 /nfs/dbraw/zinc/98/23/27/804982327.db2.gz DXSDQMSELLWPHY-MSOLQXFVSA-N 1 1 284.403 3.122 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CC2CCC1CC2 ZINC001248751785 804984199 /nfs/dbraw/zinc/98/41/99/804984199.db2.gz KEHJEADVBPPRHO-UHFFFAOYSA-N 1 1 254.377 3.495 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@@H+]1CCCC[C@H]1C(C)=O ZINC001248752606 804984238 /nfs/dbraw/zinc/98/42/38/804984238.db2.gz SEMNADTZVSFWBS-KRWDZBQOSA-N 1 1 270.376 3.064 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCCC[C@H]1C(C)=O ZINC001248752606 804984243 /nfs/dbraw/zinc/98/42/43/804984243.db2.gz SEMNADTZVSFWBS-KRWDZBQOSA-N 1 1 270.376 3.064 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccc(C(=O)OC)cc1F ZINC001144447770 804990865 /nfs/dbraw/zinc/99/08/65/804990865.db2.gz QAPBMADCIVIATG-UHFFFAOYSA-N 1 1 279.355 3.400 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)cc1 ZINC001144573485 805009553 /nfs/dbraw/zinc/00/95/53/805009553.db2.gz LRCZVIUHDDMHDN-LJQANCHMSA-N 1 1 277.367 3.321 20 30 CGEDMO CC[N@H+]1CCCC[C@@H]1c1nc(-c2ccc(C#N)c(C)c2)no1 ZINC001248962762 805061035 /nfs/dbraw/zinc/06/10/35/805061035.db2.gz GFXKDJMCIVUMJQ-OAHLLOKOSA-N 1 1 296.374 3.464 20 30 CGEDMO CCOC(=O)c1ccc2c(C[N@H+](CC)CCC#N)c[nH]c2c1 ZINC001249151296 805100577 /nfs/dbraw/zinc/10/05/77/805100577.db2.gz MSDUIVOENJAMQS-UHFFFAOYSA-N 1 1 299.374 3.080 20 30 CGEDMO CCOC(=O)c1ccc2c(C[N@@H+](CC)CCC#N)c[nH]c2c1 ZINC001249151296 805100580 /nfs/dbraw/zinc/10/05/80/805100580.db2.gz MSDUIVOENJAMQS-UHFFFAOYSA-N 1 1 299.374 3.080 20 30 CGEDMO C=CC[N@@H+]1CCC2(CN(C(=O)CCCC[C@@H](C)CC)C2)C1 ZINC001147636777 805142158 /nfs/dbraw/zinc/14/21/58/805142158.db2.gz NYTQBMNGPDEEMY-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO CC1CC([N@@H+](C)Cc2cc3ccc(C#N)cc3[nH]2)C1 ZINC001249426728 805146293 /nfs/dbraw/zinc/14/62/93/805146293.db2.gz DKLYFOUFNSZTAQ-UHFFFAOYSA-N 1 1 253.349 3.270 20 30 CGEDMO C[N@@H+](Cc1cc2ccc(C#N)cc2[nH]1)C1CCCC1 ZINC001249428766 805146516 /nfs/dbraw/zinc/14/65/16/805146516.db2.gz AHLKTPMRIGODPN-UHFFFAOYSA-N 1 1 253.349 3.414 20 30 CGEDMO C[N@@H+](Cc1cc2ccc(C#N)cc2[nH]1)Cc1cccc(O)c1 ZINC001249426315 805146551 /nfs/dbraw/zinc/14/65/51/805146551.db2.gz LZXWRRNDVNUZEX-UHFFFAOYSA-N 1 1 291.354 3.377 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cc3ccc(C#N)cc3[nH]2)C2(CC2)C1 ZINC001249430035 805148791 /nfs/dbraw/zinc/14/87/91/805148791.db2.gz AVFIKKLETBJXJB-GFCCVEGCSA-N 1 1 265.360 3.414 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)C3(C)CCC3)C2)C1 ZINC001148045127 805160441 /nfs/dbraw/zinc/16/04/41/805160441.db2.gz HOPMISKJFXAEDJ-OAHLLOKOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@H+](C[C@@H](C)CC)C2 ZINC001148126532 805164685 /nfs/dbraw/zinc/16/46/85/805164685.db2.gz ZLMGJHYZKLYDGN-HOTGVXAUSA-N 1 1 292.467 3.169 20 30 CGEDMO N#Cc1ccsc1Nc1cc[nH+]cc1C(F)(F)F ZINC001249584635 805181862 /nfs/dbraw/zinc/18/18/62/805181862.db2.gz WEDAHOSPEHKAOB-UHFFFAOYSA-N 1 1 269.251 3.199 20 30 CGEDMO N#Cc1ccc(Nc2cc[nH+]cc2C(F)(F)F)cc1 ZINC001249586932 805183075 /nfs/dbraw/zinc/18/30/75/805183075.db2.gz JPBOVSFZQXUHTK-UHFFFAOYSA-N 1 1 263.222 3.138 20 30 CGEDMO N#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c1F ZINC001249679870 805209946 /nfs/dbraw/zinc/20/99/46/805209946.db2.gz AEBJMVHGYGIKCG-BETUJISGSA-N 1 1 280.293 3.174 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c1F ZINC001249679870 805209953 /nfs/dbraw/zinc/20/99/53/805209953.db2.gz AEBJMVHGYGIKCG-BETUJISGSA-N 1 1 280.293 3.174 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)/C=C\C(C)(C)C ZINC001152433145 805349545 /nfs/dbraw/zinc/34/95/45/805349545.db2.gz ZOTINHCDZRTGIB-QYMJWVLRSA-N 1 1 280.456 3.382 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C=C(CC)CC ZINC001152712804 805365865 /nfs/dbraw/zinc/36/58/65/805365865.db2.gz OFCULGXGPMVYQX-CYBMUJFWSA-N 1 1 286.847 3.312 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C=C(CC)CC ZINC001152712804 805365874 /nfs/dbraw/zinc/36/58/74/805365874.db2.gz OFCULGXGPMVYQX-CYBMUJFWSA-N 1 1 286.847 3.312 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)C=C(CC)CC ZINC001152734533 805366885 /nfs/dbraw/zinc/36/68/85/805366885.db2.gz WUOWPIOHWMTBLM-CQSZACIVSA-N 1 1 266.429 3.136 20 30 CGEDMO C#CCCCC(=O)NC[C@@H](C)[N@@H+](CC)C[C@H](C)CC(C)C ZINC001153025416 805381117 /nfs/dbraw/zinc/38/11/17/805381117.db2.gz VRMRJZQSLUYJBU-IAGOWNOFSA-N 1 1 294.483 3.299 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)/C=C(/C)CC ZINC001153189732 805387505 /nfs/dbraw/zinc/38/75/05/805387505.db2.gz ZFTXBOQYHQZKBL-QKXCFHHRSA-N 1 1 266.429 3.136 20 30 CGEDMO CCCCC[N@@H+](CC)[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001153266034 805390535 /nfs/dbraw/zinc/39/05/35/805390535.db2.gz HWFHUDOPTXQRIH-OAHLLOKOSA-N 1 1 280.456 3.053 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)CCCC[C@@H](C)CC ZINC001153571262 805403039 /nfs/dbraw/zinc/40/30/39/805403039.db2.gz VWFYEPTYAQCRAV-DLBZAZTESA-N 1 1 294.483 3.443 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)c1[nH]c(C)cc1C ZINC001154042077 805430560 /nfs/dbraw/zinc/43/05/60/805430560.db2.gz CGYSCLSFNKFTOZ-OAHLLOKOSA-N 1 1 291.439 3.038 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)C1CCCCCCC1 ZINC001154269783 805444808 /nfs/dbraw/zinc/44/48/08/805444808.db2.gz VRQAMYQNVRPAEA-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)CC(F)F ZINC001154361135 805450596 /nfs/dbraw/zinc/45/05/96/805450596.db2.gz XVEBJBUKSCJUCC-QWHCGFSZSA-N 1 1 290.398 3.071 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](CC)CCCC ZINC001154368608 805452857 /nfs/dbraw/zinc/45/28/57/805452857.db2.gz XZNXZPICXQKGTL-CVEARBPZSA-N 1 1 280.456 3.053 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001154415549 805454769 /nfs/dbraw/zinc/45/47/69/805454769.db2.gz SBXMSTFJXLQGGP-WCXIOVBPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC001154435914 805456042 /nfs/dbraw/zinc/45/60/42/805456042.db2.gz IWNFJTXHGDEYEA-XLMAVXFVSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)CC(C)C ZINC001154751276 805483060 /nfs/dbraw/zinc/48/30/60/805483060.db2.gz SWXNYLJRXKXLEG-HUUCEWRRSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CCCCC(=O)NC[C@@H](C)[N@@H+](CC)CCC(C)C ZINC001154927850 805510180 /nfs/dbraw/zinc/51/01/80/805510180.db2.gz PTIKZKSORSNWBA-OAHLLOKOSA-N 1 1 268.445 3.215 20 30 CGEDMO C=C(C)Cc1ccc(C2([NH+]3CCOCC3)CC2)cc1 ZINC001250244426 805516433 /nfs/dbraw/zinc/51/64/33/805516433.db2.gz XLLJWTDJNJRITR-UHFFFAOYSA-N 1 1 257.377 3.127 20 30 CGEDMO C=CCCC1(C(=O)NC[C@@H](C)[N@@H+](CC)CC(C)C)CC1 ZINC001155066397 805532573 /nfs/dbraw/zinc/53/25/73/805532573.db2.gz HYFUUIYIBNYVQK-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)C(F)F ZINC001155155403 805545163 /nfs/dbraw/zinc/54/51/63/805545163.db2.gz IGWLKXHAFZRQNO-GFCCVEGCSA-N 1 1 290.398 3.071 20 30 CGEDMO Cc1cc(Cl)c(C#N)c(NCC[C@H]2CCC[N@H+](C)C2)n1 ZINC001165261957 806984152 /nfs/dbraw/zinc/98/41/52/806984152.db2.gz UJYFFMKYPQGRRO-GFCCVEGCSA-N 1 1 292.814 3.059 20 30 CGEDMO CO[C@H]1CC[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257017446 807027760 /nfs/dbraw/zinc/02/77/60/807027760.db2.gz UFIOZIBLVWTGNL-ABHNRTSZSA-N 1 1 284.403 3.305 20 30 CGEDMO N#Cc1ccc(C2CCC([N@H+]3CCC4(COC4)C3)CC2)cc1 ZINC001257016818 807028345 /nfs/dbraw/zinc/02/83/45/807028345.db2.gz JNEAVLATYIXNTD-UHFFFAOYSA-N 1 1 296.414 3.307 20 30 CGEDMO Cc1ccc(CC#N)c(N2CCC(c3ccccn3)CC2)[nH+]1 ZINC001166673358 807077886 /nfs/dbraw/zinc/07/78/86/807077886.db2.gz OEYPAEWYWXXZHQ-UHFFFAOYSA-N 1 1 292.386 3.235 20 30 CGEDMO N#CC[C@@H]1CCCN(c2[nH+]ccc3c4c([nH]c32)CCC4)C1 ZINC001166741692 807089763 /nfs/dbraw/zinc/08/97/63/807089763.db2.gz FYEXPWPLCZNHLA-LBPRGKRZSA-N 1 1 280.375 3.182 20 30 CGEDMO N#Cc1ccccc1O[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001257356171 807119845 /nfs/dbraw/zinc/11/98/45/807119845.db2.gz SAVXGQFONSTTFI-INIZCTEOSA-N 1 1 270.376 3.344 20 30 CGEDMO N#Cc1cccc([C@@H](O)C[N@H+]2CCC[C@]3(CC=CCC3)C2)c1 ZINC001167382295 807188395 /nfs/dbraw/zinc/18/83/95/807188395.db2.gz XLTCUEUBWRSTJV-RBUKOAKNSA-N 1 1 296.414 3.414 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC001167499592 807200900 /nfs/dbraw/zinc/20/09/00/807200900.db2.gz LNMHWADNQLKCCW-SJLPKXTDSA-N 1 1 271.404 3.327 20 30 CGEDMO C=CC[C@@H](C)[N@@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC001167628154 807219407 /nfs/dbraw/zinc/21/94/07/807219407.db2.gz AQSCVKGGTKCNEV-CYBMUJFWSA-N 1 1 284.444 3.434 20 30 CGEDMO N#Cc1ccc(CCNc2cc3[nH+]c[nH]c3cc2F)cc1 ZINC001167679260 807226607 /nfs/dbraw/zinc/22/66/07/807226607.db2.gz KMNLXWTUHOGICR-UHFFFAOYSA-N 1 1 280.306 3.228 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CCC(=O)[C@@H](C)CC3)C[C@H](C1)C2 ZINC001257892541 807242503 /nfs/dbraw/zinc/24/25/03/807242503.db2.gz ZNRHHSSVCJREBJ-LSVZVQIISA-N 1 1 261.409 3.422 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CC[C@@H](C)[C@@H](O)CC3)C[C@H](C1)C2 ZINC001257892334 807242903 /nfs/dbraw/zinc/24/29/03/807242903.db2.gz XARVMWGOTQQVFN-BJCAYOAGSA-N 1 1 263.425 3.214 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCC[C@@H](C(=O)OC)CC3)C[C@H](C1)C2 ZINC001257894010 807244476 /nfs/dbraw/zinc/24/44/76/807244476.db2.gz ISZFIUWKPBROFI-LVYZTWJOSA-N 1 1 291.435 3.396 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CCO[C@H](C(C)C)C3)C[C@H](C1)C2 ZINC001257894942 807244908 /nfs/dbraw/zinc/24/49/08/807244908.db2.gz DSBQPYNWQGWMME-WFVVYAPDSA-N 1 1 263.425 3.478 20 30 CGEDMO C=C(C)c1ccc(NCc2ccc(N)[nH+]c2C)nc1 ZINC001167784716 807250367 /nfs/dbraw/zinc/25/03/67/807250367.db2.gz BGEHWZMKLJCJGT-UHFFFAOYSA-N 1 1 254.337 3.012 20 30 CGEDMO C=CCc1cc(C)cnc1NCc1ccc(N)[nH+]c1C ZINC001167784777 807250548 /nfs/dbraw/zinc/25/05/48/807250548.db2.gz CJQZNLMDPHQRPE-UHFFFAOYSA-N 1 1 268.364 3.016 20 30 CGEDMO Cc1[nH+]c(N)ccc1CNc1cccc2[nH]cc(CC#N)c21 ZINC001167786603 807252225 /nfs/dbraw/zinc/25/22/25/807252225.db2.gz GMOVHVSAQYDZTJ-UHFFFAOYSA-N 1 1 291.358 3.132 20 30 CGEDMO N#C[C@H]1CC[C@H](Nc2cc(N)cc(C(F)(F)F)[nH+]2)CC1 ZINC001167840773 807260245 /nfs/dbraw/zinc/26/02/45/807260245.db2.gz HZKOZLONJNZIOL-CZMCAQCFSA-N 1 1 284.285 3.177 20 30 CGEDMO FC(F)(F)C(F)(F)C(F)(F)C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC001167894132 807268503 /nfs/dbraw/zinc/26/85/03/807268503.db2.gz NJQBXIPFPYCICQ-KVSKUHBBSA-N 1 1 279.199 3.207 20 30 CGEDMO N#Cc1ccccc1O[C@H]1CCC[N@H+]([C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC001167951891 807281313 /nfs/dbraw/zinc/28/13/13/807281313.db2.gz LSEJMQXBSQQGFL-YVSFHVDLSA-N 1 1 282.387 3.200 20 30 CGEDMO C[C@@H]1C[C@@H]([NH2+]C2CC(C#N)C2)C[C@H](C)N1Cc1ccccc1 ZINC001168033497 807300914 /nfs/dbraw/zinc/30/09/14/807300914.db2.gz LNLWQKYRZQYKAL-IDHLJQCASA-N 1 1 297.446 3.320 20 30 CGEDMO C[C@@H]1C[C@@H](NC2CC(C#N)C2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168033497 807300923 /nfs/dbraw/zinc/30/09/23/807300923.db2.gz LNLWQKYRZQYKAL-IDHLJQCASA-N 1 1 297.446 3.320 20 30 CGEDMO C[C@@H]1C[C@@H](NC2CC(C#N)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168033497 807300929 /nfs/dbraw/zinc/30/09/29/807300929.db2.gz LNLWQKYRZQYKAL-IDHLJQCASA-N 1 1 297.446 3.320 20 30 CGEDMO CCCCCCCC[N@@H+](CCN)[C@H]1CCO[C@@H](C)C1 ZINC001168087476 807307504 /nfs/dbraw/zinc/30/75/04/807307504.db2.gz LWKOREOLXYTOFK-HOTGVXAUSA-N 1 1 270.461 3.175 20 30 CGEDMO CCCCCCCCN(CC[NH3+])[C@H]1CCO[C@@H](C)C1 ZINC001168087476 807307512 /nfs/dbraw/zinc/30/75/12/807307512.db2.gz LWKOREOLXYTOFK-HOTGVXAUSA-N 1 1 270.461 3.175 20 30 CGEDMO C#CC[N@H+](CCc1ccc(OC(F)(F)F)cc1)CC1CC1 ZINC001168234526 807359240 /nfs/dbraw/zinc/35/92/40/807359240.db2.gz LYXQNGQQEAPHSD-UHFFFAOYSA-N 1 1 297.320 3.473 20 30 CGEDMO C[C@@H](c1ccccc1)[N@@H+](CCO)Cc1ccc(F)c(C#N)c1 ZINC001168308203 807377288 /nfs/dbraw/zinc/37/72/88/807377288.db2.gz FUFWKEJWTLVBJD-AWEZNQCLSA-N 1 1 298.361 3.253 20 30 CGEDMO CCCCCCCCC[C@H](C)[NH2+]CCCN(C)CCO ZINC001258228448 807377890 /nfs/dbraw/zinc/37/78/90/807377890.db2.gz HLDAWPPGMHIZTC-KRWDZBQOSA-N 1 1 286.504 3.419 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)C[C@H](CC(C)C)OC ZINC001168579409 807450910 /nfs/dbraw/zinc/45/09/10/807450910.db2.gz IXLRVRPTGRWVAT-INIZCTEOSA-N 1 1 265.397 3.371 20 30 CGEDMO C#CC[N@H+]([C@@H](C)CCC(=O)OCC)[C@@H]1CCc2ccccc21 ZINC001258494827 807478729 /nfs/dbraw/zinc/47/87/29/807478729.db2.gz BQWDDISFSKGIEB-MAUKXSAKSA-N 1 1 299.414 3.341 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](C2CCC3(CC2)OCC(C)(C)CO3)C1 ZINC001258526635 807485182 /nfs/dbraw/zinc/48/51/82/807485182.db2.gz QYWASGHHOQONTL-OAHLLOKOSA-N 1 1 291.435 3.044 20 30 CGEDMO C=CCN1CC[C@@]2(CCC[N@H+]([C@@H]3CCC(C)(C)C3)C2)C1=O ZINC001258599907 807499351 /nfs/dbraw/zinc/49/93/51/807499351.db2.gz DRRTTZILLXGYTC-CRAIPNDOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[C@@](C)([NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)C(=O)OC ZINC001258694834 807550247 /nfs/dbraw/zinc/55/02/47/807550247.db2.gz WIGWBPUFEVLKOM-XJKCOSOUSA-N 1 1 267.413 3.299 20 30 CGEDMO C=CC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCCCC1 ZINC001169047106 807558866 /nfs/dbraw/zinc/55/88/66/807558866.db2.gz QSDAMCMPADCLGU-DZGCQCFKSA-N 1 1 266.385 3.253 20 30 CGEDMO C=CC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCCCC1 ZINC001169047110 807558985 /nfs/dbraw/zinc/55/89/85/807558985.db2.gz QSDAMCMPADCLGU-UKRRQHHQSA-N 1 1 266.385 3.253 20 30 CGEDMO CCCCCCC[C@@H](CC(C)C)[NH2+][C@](N)(CC)CO ZINC001258715944 807566306 /nfs/dbraw/zinc/56/63/06/807566306.db2.gz OQMYUIJVXVTJJI-JKSUJKDBSA-N 1 1 272.477 3.409 20 30 CGEDMO C=CCC[C@H](C)N[C@H](C[NH3+])c1ccc(Br)cc1 ZINC001258720007 807569012 /nfs/dbraw/zinc/56/90/12/807569012.db2.gz OOFSBZYSGASUBX-SMDDNHRTSA-N 1 1 297.240 3.393 20 30 CGEDMO C=CCC[C@H](C)[N@H+](Cc1ccccc1)CC(OC)OC ZINC001258725734 807573195 /nfs/dbraw/zinc/57/31/95/807573195.db2.gz MRLQJXHDNDKVLD-HNNXBMFYSA-N 1 1 277.408 3.462 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001258725138 807573401 /nfs/dbraw/zinc/57/34/01/807573401.db2.gz IFRXDZCDAGRXGE-KGLIPLIRSA-N 1 1 282.428 3.282 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001258725561 807573452 /nfs/dbraw/zinc/57/34/52/807573452.db2.gz MHAHDTDBAMCCAP-TUAOUCFPSA-N 1 1 283.309 3.068 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(Cc3cccs3)C[C@H]2C1 ZINC001258729017 807575895 /nfs/dbraw/zinc/57/58/95/807575895.db2.gz SBGZZVJAFRVRBW-OAGGEKHMSA-N 1 1 290.476 3.466 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@]2(CCN(CC3CC3)C2=O)C1 ZINC001258729508 807576036 /nfs/dbraw/zinc/57/60/36/807576036.db2.gz WDDABGMPTSPYFR-YJBOKZPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]2O[C@@H](c3nc(C)no3)CC[C@H]21 ZINC001258729001 807576627 /nfs/dbraw/zinc/57/66/27/807576627.db2.gz SAEHTIWGSGAXPL-NMFUWQPSSA-N 1 1 291.395 3.027 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCn2cnc(Cn3cccc3)c2C1 ZINC001258731395 807577551 /nfs/dbraw/zinc/57/75/51/807577551.db2.gz WYDGTHAIQXQZLU-MRXNPFEDSA-N 1 1 298.434 3.293 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC[C@@H]1N(C)C(=O)OC(C)(C)C ZINC001258733584 807579161 /nfs/dbraw/zinc/57/91/61/807579161.db2.gz JEBRNZVKCVVXRI-CHWSQXEVSA-N 1 1 268.401 3.240 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1N(C)C(=O)OC(C)(C)C ZINC001258733584 807579164 /nfs/dbraw/zinc/57/91/64/807579164.db2.gz JEBRNZVKCVVXRI-CHWSQXEVSA-N 1 1 268.401 3.240 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CCc2nc(C(=O)OCC)sc2C1 ZINC001258733283 807579289 /nfs/dbraw/zinc/57/92/89/807579289.db2.gz YMWIYNKTSRNDAO-NSHDSACASA-N 1 1 294.420 3.033 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001258735883 807581892 /nfs/dbraw/zinc/58/18/92/807581892.db2.gz FAXRFIRUQIEPIZ-YESZJQIVSA-N 1 1 270.420 3.409 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H](Oc2ccc(OC)cn2)C1 ZINC001258736548 807582336 /nfs/dbraw/zinc/58/23/36/807582336.db2.gz VWPMDJPQEZQZIH-ZBFHGGJFSA-N 1 1 290.407 3.288 20 30 CGEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N(CCC#N)Cc1ccccc1)C2 ZINC001169125220 807585317 /nfs/dbraw/zinc/58/53/17/807585317.db2.gz WLFOQSMHBQFTHB-BCDXTJNWSA-N 1 1 283.419 3.027 20 30 CGEDMO COc1ccccc1C[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001258894367 807667345 /nfs/dbraw/zinc/66/73/45/807667345.db2.gz WALTVWXVHGOEQT-SRABZTEZSA-N 1 1 284.403 3.393 20 30 CGEDMO COc1ccc(Nc2ccc3c(c2)C[N@H+](C)CC3)c(C#N)c1 ZINC001212786277 815137521 /nfs/dbraw/zinc/13/75/21/815137521.db2.gz NDLYYAWIEYIIBZ-UHFFFAOYSA-N 1 1 293.370 3.298 20 30 CGEDMO C#CC[N@@H+](C)Cc1ccccc1OCc1ccccc1 ZINC001169961767 807730734 /nfs/dbraw/zinc/73/07/34/807730734.db2.gz COISCIGBPGQXTG-UHFFFAOYSA-N 1 1 265.356 3.331 20 30 CGEDMO C#CC[N@H+](C)Cc1ccccc1OCc1ccccc1 ZINC001169961767 807730735 /nfs/dbraw/zinc/73/07/35/807730735.db2.gz COISCIGBPGQXTG-UHFFFAOYSA-N 1 1 265.356 3.331 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2nnc(-c3ccccc3OC)o2)C1 ZINC001261804881 807788613 /nfs/dbraw/zinc/78/86/13/807788613.db2.gz RXVBZXKIXOFUNE-ZDUSSCGKSA-N 1 1 299.374 3.143 20 30 CGEDMO C[C@@H]1C[N@H+](C2CCC(C#N)(c3ccccc3)CC2)CCO1 ZINC001170379193 807832514 /nfs/dbraw/zinc/83/25/14/807832514.db2.gz SOWVIUDNPFQLML-FAEJEUNOSA-N 1 1 284.403 3.111 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCC[C@@H](OCC3CC3)C2)CC1 ZINC001262264354 807843459 /nfs/dbraw/zinc/84/34/59/807843459.db2.gz PMCYQJVAJVVAMP-VMBOVVBDSA-N 1 1 276.424 3.207 20 30 CGEDMO C[N@@H+](CC(C)(C)C#N)CC1([C@H]2CCCCO2)CCC1 ZINC001170547674 807854085 /nfs/dbraw/zinc/85/40/85/807854085.db2.gz CKZDCKYHUJZVOR-CQSZACIVSA-N 1 1 264.413 3.207 20 30 CGEDMO C=CC[C@@H]([NH2+][C@@H](CC)CCCCCC)C(=O)OC ZINC001170586113 807860449 /nfs/dbraw/zinc/86/04/49/807860449.db2.gz IANPNBKQCVXXES-UONOGXRCSA-N 1 1 255.402 3.443 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+]([C@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170716051 807882398 /nfs/dbraw/zinc/88/23/98/807882398.db2.gz OMROTSPKTDIHJD-BBRMVZONSA-N 1 1 276.330 3.058 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+]([C@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170716051 807882404 /nfs/dbraw/zinc/88/24/04/807882404.db2.gz OMROTSPKTDIHJD-BBRMVZONSA-N 1 1 276.330 3.058 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@@H]1CCc2cccc(F)c2C1 ZINC001171000848 807956431 /nfs/dbraw/zinc/95/64/31/807956431.db2.gz LYIGCOYYMWLEFM-CQSZACIVSA-N 1 1 260.356 3.309 20 30 CGEDMO C=CC[NH+]1CCN([C@@H]2CCc3c(Cl)cccc3C2)CC1 ZINC001171044172 807970852 /nfs/dbraw/zinc/97/08/52/807970852.db2.gz JHYOBDJNOLZIIY-OAHLLOKOSA-N 1 1 290.838 3.001 20 30 CGEDMO N=C(Nc1c[nH+]cc2cc[nH]c21)c1ccc2ccccc2n1 ZINC001171048299 807971892 /nfs/dbraw/zinc/97/18/92/807971892.db2.gz LBYUTVGKTDVBGT-UHFFFAOYSA-N 1 1 287.326 3.148 20 30 CGEDMO COCC#CC[N@@H+](C)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC001171170722 808000303 /nfs/dbraw/zinc/00/03/03/808000303.db2.gz RNCIWKDCGWICMY-ZWKOTPCHSA-N 1 1 271.404 3.294 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)CCc1cccnc1 ZINC001171224061 808012359 /nfs/dbraw/zinc/01/23/59/808012359.db2.gz PFXYJEIWNAGMLA-OAHLLOKOSA-N 1 1 279.387 3.059 20 30 CGEDMO CC[N@@H+](Cc1ccccn1)[C@H](C)Cc1cccc(C#N)c1 ZINC001171225057 808012760 /nfs/dbraw/zinc/01/27/60/808012760.db2.gz XIJYRCRJXFXZFG-OAHLLOKOSA-N 1 1 279.387 3.406 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1cncs1 ZINC001171230041 808013887 /nfs/dbraw/zinc/01/38/87/808013887.db2.gz RVBXNRLHZVADNJ-GFCCVEGCSA-N 1 1 271.389 3.078 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@H]1CN1CCCC1 ZINC001171225249 808013909 /nfs/dbraw/zinc/01/39/09/808013909.db2.gz ZIGZROUQJOGIID-VQIMIIECSA-N 1 1 297.446 3.049 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H]1CN1CCCC1 ZINC001171225249 808013916 /nfs/dbraw/zinc/01/39/16/808013916.db2.gz ZIGZROUQJOGIID-VQIMIIECSA-N 1 1 297.446 3.049 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](C)SC ZINC001264179348 808044959 /nfs/dbraw/zinc/04/49/59/808044959.db2.gz RMJWPWXNQHZUNR-GJZGRUSLSA-N 1 1 298.496 3.017 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCC1(C)CC1 ZINC001264187443 808046422 /nfs/dbraw/zinc/04/64/22/808046422.db2.gz UBOCWKWEYQGNJT-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@H+](CC)CC(C)(C)C1 ZINC001264195339 808047066 /nfs/dbraw/zinc/04/70/66/808047066.db2.gz RBJKIMYKARXZLH-MRXNPFEDSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC/C=C/CC ZINC001264370956 808060966 /nfs/dbraw/zinc/06/09/66/808060966.db2.gz MYPIXOUZKOMKNI-JBMMNVDBSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC/C=C\c1ccccc1 ZINC001264372785 808062748 /nfs/dbraw/zinc/06/27/48/808062748.db2.gz MHYQZUQQBGSKQQ-RLGIIYIFSA-N 1 1 298.430 3.199 20 30 CGEDMO C=CC[N@@H+](C)CCCNC(=O)[C@]1(C)CCC(C)=C(C)C1 ZINC001265074909 808107192 /nfs/dbraw/zinc/10/71/92/808107192.db2.gz LRPRRGFDFCOUED-QGZVFWFLSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)c1ccc(Cl)s1)C1CC1 ZINC001265182690 808117150 /nfs/dbraw/zinc/11/71/50/808117150.db2.gz LYRHXLHOCQNEGS-UHFFFAOYSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001265275524 808125096 /nfs/dbraw/zinc/12/50/96/808125096.db2.gz QQSFCVVPQYODBU-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)CC(C)C)C1 ZINC001265309992 808130751 /nfs/dbraw/zinc/13/07/51/808130751.db2.gz FIVVLWRDIBNVHR-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)CCC(C)C)C1 ZINC001265385318 808136819 /nfs/dbraw/zinc/13/68/19/808136819.db2.gz ZUQAVPIZICQXKY-INIZCTEOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)CCC)C1 ZINC001265590530 808158161 /nfs/dbraw/zinc/15/81/61/808158161.db2.gz BTRWZMDORDIFPJ-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)C2(F)CCCCC2)C1 ZINC001265594537 808158696 /nfs/dbraw/zinc/15/86/96/808158696.db2.gz DIIUXTGMCANRNF-OAHLLOKOSA-N 1 1 296.430 3.063 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)C(CC)CC)C1 ZINC001265586974 808159090 /nfs/dbraw/zinc/15/90/90/808159090.db2.gz SLEOJWKAHOHWGA-CVEARBPZSA-N 1 1 294.483 3.463 20 30 CGEDMO C#CCC[NH2+][C@@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171984686 808164905 /nfs/dbraw/zinc/16/49/05/808164905.db2.gz XOMQEVQGCYMCMJ-QGZVFWFLSA-N 1 1 270.420 3.043 20 30 CGEDMO CC1(C)C[C@H]([NH2+]CCCC#N)CCN1Cc1ccccc1 ZINC001171984935 808164974 /nfs/dbraw/zinc/16/49/74/808164974.db2.gz YXQYHRUVBJOQSL-QGZVFWFLSA-N 1 1 285.435 3.323 20 30 CGEDMO C#CCN(C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172074660 808169784 /nfs/dbraw/zinc/16/97/84/808169784.db2.gz JMYISPPBEDJFLL-REPLKXPHSA-N 1 1 282.431 3.137 20 30 CGEDMO C#CC[N@@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172074660 808169803 /nfs/dbraw/zinc/16/98/03/808169803.db2.gz JMYISPPBEDJFLL-REPLKXPHSA-N 1 1 282.431 3.137 20 30 CGEDMO C#CC[N@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172074660 808169805 /nfs/dbraw/zinc/16/98/05/808169805.db2.gz JMYISPPBEDJFLL-REPLKXPHSA-N 1 1 282.431 3.137 20 30 CGEDMO CC[C@H](C#N)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172068796 808170811 /nfs/dbraw/zinc/17/08/11/808170811.db2.gz XRWJHRDXTFBQDT-MKXGPGLRSA-N 1 1 297.446 3.464 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CC2(C)CCCC2)C1 ZINC001265702426 808171016 /nfs/dbraw/zinc/17/10/16/808171016.db2.gz DHEBPARISHUPBH-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC(=O)NC[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1F ZINC001265759524 808178610 /nfs/dbraw/zinc/17/86/10/808178610.db2.gz XEPHSOOLZFBHRZ-RYUDHWBXSA-N 1 1 296.361 3.086 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)CC(C)(C)C=C)C1 ZINC001266103730 808211305 /nfs/dbraw/zinc/21/13/05/808211305.db2.gz WSPRHXABNWSFPU-HNNXBMFYSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C)CCCC)C1 ZINC001266099497 808211715 /nfs/dbraw/zinc/21/17/15/808211715.db2.gz GZTRIORGCXARIA-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1CCN(C2CCC2)CC1 ZINC001172301877 808220917 /nfs/dbraw/zinc/22/09/17/808220917.db2.gz YUOASXZAAZTCHU-HNNXBMFYSA-N 1 1 297.446 3.096 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@]2(C1)CCCCO2 ZINC001172314979 808225382 /nfs/dbraw/zinc/22/53/82/808225382.db2.gz MYKNYTLXVWBMNK-QAPCUYQASA-N 1 1 284.403 3.134 20 30 CGEDMO C=CC(C)(C)CC(=O)NCCC[C@H]1CCC[N@H+]1CC1CC1 ZINC001266219202 808227996 /nfs/dbraw/zinc/22/79/96/808227996.db2.gz DVQPEGNYJDVTIM-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC001172319129 808229282 /nfs/dbraw/zinc/22/92/82/808229282.db2.gz LTIHUQPAXIFHDS-FZMZJTMJSA-N 1 1 282.309 3.373 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H](CC#N)C1 ZINC001172320397 808230618 /nfs/dbraw/zinc/23/06/18/808230618.db2.gz VARZSEIKTZWDGI-WMLDXEAASA-N 1 1 267.376 3.115 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CCCNC(=O)C1(CC)CC1 ZINC001266231488 808230651 /nfs/dbraw/zinc/23/06/51/808230651.db2.gz JKCIJAOAOODLOD-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC1(CC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CCCCC1 ZINC001266346992 808246777 /nfs/dbraw/zinc/24/67/77/808246777.db2.gz KMGOHANLTCSTLD-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C#CC[N@H+]1CC[C@@H](NC(=O)[C@](C)(CC)CCCCCC)C1 ZINC001266359511 808248349 /nfs/dbraw/zinc/24/83/49/808248349.db2.gz XNHKZUDNWLIIJM-SJLPKXTDSA-N 1 1 292.467 3.197 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)[C@](C)(CC)CCCCCC)C1 ZINC001266359511 808248358 /nfs/dbraw/zinc/24/83/58/808248358.db2.gz XNHKZUDNWLIIJM-SJLPKXTDSA-N 1 1 292.467 3.197 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CCOC[C@@H]1COC ZINC001172362368 808256931 /nfs/dbraw/zinc/25/69/31/808256931.db2.gz WQOXOUDZMQGHAC-HOTGVXAUSA-N 1 1 271.445 3.473 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)/C=C/C(C)(C)C)C1 ZINC001266451184 808267462 /nfs/dbraw/zinc/26/74/62/808267462.db2.gz AXSXGNGAADAMCP-OFAQMXQXSA-N 1 1 292.467 3.335 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC001266448013 808267571 /nfs/dbraw/zinc/26/75/71/808267571.db2.gz FIMSMMXAIAAZSV-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCC[N@H+]1[C@H]1CCc2ccccc21 ZINC001266450589 808267622 /nfs/dbraw/zinc/26/76/22/808267622.db2.gz QTNSGGPWCICITF-AEFFLSMTSA-N 1 1 298.430 3.221 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@@H](C[N@H+](C)CC(C)C)C1 ZINC001266469548 808270705 /nfs/dbraw/zinc/27/07/05/808270705.db2.gz NWOWQCBDKARCQT-INIZCTEOSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C1(C)CC=CC1 ZINC001266479664 808272372 /nfs/dbraw/zinc/27/23/72/808272372.db2.gz AFPCMWDQAUAYFD-HZPDHXFCSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H](CC)C(C)C ZINC001266488011 808273619 /nfs/dbraw/zinc/27/36/19/808273619.db2.gz AMXVWTIHRZIMBK-CVEARBPZSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@H]2CCC[N@@H+]2CC(CC)CC)C1 ZINC001266483131 808274555 /nfs/dbraw/zinc/27/45/55/808274555.db2.gz ORUDDZTZTQHXJG-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)CCC ZINC001266496659 808276854 /nfs/dbraw/zinc/27/68/54/808276854.db2.gz VDINMZXLVOBHSU-ZACQAIPSSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001266533292 808282017 /nfs/dbraw/zinc/28/20/17/808282017.db2.gz HQKFKYGKGCQDBY-JKSUJKDBSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](CNC(=O)C(CCC)CCC)C1 ZINC001266528135 808282550 /nfs/dbraw/zinc/28/25/50/808282550.db2.gz KGKYBLXRRYQDQP-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](CNC(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001266545906 808283894 /nfs/dbraw/zinc/28/38/94/808283894.db2.gz RCDPINQZJHIZSZ-CVEARBPZSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[N@H+](CCNC(=O)C1(C)CCC(C)CC1)C1CC1 ZINC001266621343 808297677 /nfs/dbraw/zinc/29/76/77/808297677.db2.gz AXCSXFJANQRJCD-UHFFFAOYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]2C[N@@H+](CC(=C)C)CC[C@@H]21 ZINC001266660341 808303434 /nfs/dbraw/zinc/30/34/34/808303434.db2.gz WMUCLFHXPZVTOM-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCC[N@H+](CC(CC)CC)C1 ZINC001266743220 808311052 /nfs/dbraw/zinc/31/10/52/808311052.db2.gz KRQASSAYZSDJCL-MRXNPFEDSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@@H+]1CCC ZINC001266886956 808329641 /nfs/dbraw/zinc/32/96/41/808329641.db2.gz RWWPEOYJLCNGAL-HZPDHXFCSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccco2)C1 ZINC001266889161 808331611 /nfs/dbraw/zinc/33/16/11/808331611.db2.gz IHODYGREWGOLKG-CABCVRRESA-N 1 1 290.407 3.076 20 30 CGEDMO C[C@H](CCCC#N)[NH+]1CCC(N)(c2ccccc2F)CC1 ZINC001172487106 808348513 /nfs/dbraw/zinc/34/85/13/808348513.db2.gz JSNJFCFUKPKCRY-CQSZACIVSA-N 1 1 289.398 3.158 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001172494047 808354003 /nfs/dbraw/zinc/35/40/03/808354003.db2.gz QFEAWUFCDZOYRM-KBPBESRZSA-N 1 1 295.427 3.010 20 30 CGEDMO C#CCCCCC(=O)N1CCC[C@@H]([N@H+](C)CCC(C)C)C1 ZINC001267103327 808357752 /nfs/dbraw/zinc/35/77/52/808357752.db2.gz WUXBCNBCVCGWQH-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)CC=C)C1 ZINC001267111050 808358940 /nfs/dbraw/zinc/35/89/40/808358940.db2.gz FDUIDPZTMHZJKJ-HNNXBMFYSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@](C)(F)CCCC)C1 ZINC001267109275 808359173 /nfs/dbraw/zinc/35/91/73/808359173.db2.gz XDQRVHCLXSTGLU-RDJZCZTQSA-N 1 1 298.446 3.404 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)CCCC2CC2)C1 ZINC001267112110 808362076 /nfs/dbraw/zinc/36/20/76/808362076.db2.gz WLCNDYHTKPCLAX-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C[C@H](CCCC#N)[N@@H+](C)C[C@H]1Cc2ccccc2O1 ZINC001172506198 808362744 /nfs/dbraw/zinc/36/27/44/808362744.db2.gz PVFQLIDZBKNBOL-UKRRQHHQSA-N 1 1 258.365 3.004 20 30 CGEDMO COc1cc(C[N@@H+](C)[C@@H](C)CCCC#N)cc(OC)c1 ZINC001172507539 808364026 /nfs/dbraw/zinc/36/40/26/808364026.db2.gz WFHUDEYGEINRLX-ZDUSSCGKSA-N 1 1 276.380 3.218 20 30 CGEDMO C[C@H](CCCC#N)[NH+]1CC(Oc2ccc(F)c(F)c2)C1 ZINC001172507164 808364920 /nfs/dbraw/zinc/36/49/20/808364920.db2.gz QMWZZPCTXJKSJC-LLVKDONJSA-N 1 1 280.318 3.110 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CCCNC(=O)C1(F)CCCC1 ZINC001267169949 808372405 /nfs/dbraw/zinc/37/24/05/808372405.db2.gz APRTUFOWEAHRLA-OAHLLOKOSA-N 1 1 296.430 3.206 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)C[C@@H]1CC=CCC1 ZINC001267171919 808372847 /nfs/dbraw/zinc/37/28/47/808372847.db2.gz QVJCCFFGPKCUDT-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC(C)(C)C(=O)NCCC[C@@H]1CCC[N@H+]1C/C=C/Cl ZINC001267170864 808373348 /nfs/dbraw/zinc/37/33/48/808373348.db2.gz APOHNDQHSMTEJM-DNGMOHDESA-N 1 1 298.858 3.312 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)C1(C)CC(=C)C1 ZINC001267175629 808374007 /nfs/dbraw/zinc/37/40/07/808374007.db2.gz XCZSHTPVEKCGBX-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)c1occc1C(C)C ZINC001267213801 808384625 /nfs/dbraw/zinc/38/46/25/808384625.db2.gz VIGSWAMSLIKAQL-UHFFFAOYSA-N 1 1 278.396 3.031 20 30 CGEDMO C#CC[N@H+](C)CCNC(=O)[C@@H](CCC)CC1CCCCC1 ZINC001267220340 808387060 /nfs/dbraw/zinc/38/70/60/808387060.db2.gz PRRPPVQCMVYXET-KRWDZBQOSA-N 1 1 292.467 3.054 20 30 CGEDMO C=C(C)CC[N@H+](CCCNC(=O)/C(C)=C\C)C(C)C ZINC001267243852 808392957 /nfs/dbraw/zinc/39/29/57/808392957.db2.gz MUVYWCJNHAMSMA-CHHVJCJISA-N 1 1 266.429 3.136 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)c1ccc(F)cc1Cl ZINC001267255294 808397571 /nfs/dbraw/zinc/39/75/71/808397571.db2.gz VRZIITBFVPGBPF-UHFFFAOYSA-N 1 1 298.789 3.107 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)C1(CC)CCCCC1 ZINC001267283508 808404322 /nfs/dbraw/zinc/40/43/22/808404322.db2.gz XKMDEQZHTFJXCR-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CC[N@@H+](CCC2CCCCC2)C1 ZINC001267289107 808404526 /nfs/dbraw/zinc/40/45/26/808404526.db2.gz XVCZDFTZPURXJV-QGZVFWFLSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)C[C@@H](C)CCC)C1 ZINC001267288772 808404827 /nfs/dbraw/zinc/40/48/27/808404827.db2.gz UQZPCEMMAWXHBU-HOTGVXAUSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CC[N@H+](CCC(=C)C)C2)CCC1 ZINC001267302395 808407978 /nfs/dbraw/zinc/40/79/78/808407978.db2.gz PJHVIJYRYDXRJC-INIZCTEOSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)CCCCCC)C1 ZINC001267304907 808408366 /nfs/dbraw/zinc/40/83/66/808408366.db2.gz FLLXRKLWBZDBOZ-CQSZACIVSA-N 1 1 286.847 3.147 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)CCCCCC)C1 ZINC001267304907 808408369 /nfs/dbraw/zinc/40/83/69/808408369.db2.gz FLLXRKLWBZDBOZ-CQSZACIVSA-N 1 1 286.847 3.147 20 30 CGEDMO C=CC[N@@H+](CCNC(=O)CC1CCCCCC1)C1CC1 ZINC001267333733 808417781 /nfs/dbraw/zinc/41/77/81/808417781.db2.gz LCWYXXKTABJBKI-UHFFFAOYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@H+](CCNC(=O)[C@H]1CCCC[C@H]1C)C1CC1 ZINC001267331371 808418074 /nfs/dbraw/zinc/41/80/74/808418074.db2.gz FUDONPOGKVJWBZ-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](CCNC(=O)CC2CCCC2)C1 ZINC001267501026 808434713 /nfs/dbraw/zinc/43/47/13/808434713.db2.gz JPBDHOUEASVARE-HNNXBMFYSA-N 1 1 298.858 3.147 20 30 CGEDMO C#CCC[N@H+](C)CC1CCN(C(=O)C[C@@H](C)CCC)CC1 ZINC001267597625 808454684 /nfs/dbraw/zinc/45/46/84/808454684.db2.gz FKFULDMEJQGSON-INIZCTEOSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)c2ccc(C)cc2)C1 ZINC001267594999 808454736 /nfs/dbraw/zinc/45/47/36/808454736.db2.gz ONGRCOGNFIRABC-MRXNPFEDSA-N 1 1 286.419 3.013 20 30 CGEDMO C#CCCCCC(=O)N1CCC(C[N@H+](C)CC(C)C)CC1 ZINC001267598777 808454959 /nfs/dbraw/zinc/45/49/59/808454959.db2.gz QLSIXDGXIAHKPG-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C)C2CCCCC2)C1 ZINC001267618492 808459305 /nfs/dbraw/zinc/45/93/05/808459305.db2.gz TXDLCGXYWHXFTE-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)CCCCC)C1 ZINC001267622381 808460666 /nfs/dbraw/zinc/46/06/66/808460666.db2.gz XTDNILZCCACRJM-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC(=O)N1CC[C@H](C[N@H+](C)C[C@@H](C)CC(C)C)C1 ZINC001267633259 808461873 /nfs/dbraw/zinc/46/18/73/808461873.db2.gz WBLQJYUMXKWTGN-DLBZAZTESA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCCCC(=O)N1CC[C@@H](C[N@H+](C)C[C@@H](C)CC)C1 ZINC001267683581 808470969 /nfs/dbraw/zinc/47/09/69/808470969.db2.gz LIGLJSPCXYPCAY-HOTGVXAUSA-N 1 1 280.456 3.169 20 30 CGEDMO C[C@H](CSc1ccc(Cl)cc1)[NH2+]CCC#N ZINC001172872380 808472047 /nfs/dbraw/zinc/47/20/47/808472047.db2.gz YIZGQEABKWSRLC-SNVBAGLBSA-N 1 1 254.786 3.324 20 30 CGEDMO C#CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@](C)(CC)CCC)C1 ZINC001267696529 808472627 /nfs/dbraw/zinc/47/26/27/808472627.db2.gz HPKFDUVTFWUNLG-SJLPKXTDSA-N 1 1 292.467 3.006 20 30 CGEDMO C#CCCCC(=O)N[C@H]1CC[N@H+]([C@H](CC)c2ccccc2)C1 ZINC001267722052 808476831 /nfs/dbraw/zinc/47/68/31/808476831.db2.gz UWSXKKKNXRUKOH-ZWKOTPCHSA-N 1 1 298.430 3.132 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H](NC(=O)c2ccc(C=C)cc2)C1 ZINC001267729263 808478184 /nfs/dbraw/zinc/47/81/84/808478184.db2.gz ZALAPWZJEFRYKN-KRWDZBQOSA-N 1 1 284.403 3.100 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001267730690 808478979 /nfs/dbraw/zinc/47/89/79/808478979.db2.gz VTECBULHMQRWSF-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CCCC(=O)N(C)[C@@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001267759956 808484604 /nfs/dbraw/zinc/48/46/04/808484604.db2.gz SKLYDVPSRYQKRC-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C[C@@H](C(=O)N[C@@H]1CC[N@H+](CCC(=C)C)C1)c1ccccc1 ZINC001267754395 808484982 /nfs/dbraw/zinc/48/49/82/808484982.db2.gz NPFIJTPRSROLSG-QZTJIDSGSA-N 1 1 298.430 3.113 20 30 CGEDMO C=CCCC(=O)N(C)[C@H]1CC[N@@H+](C/C=C/c2ccccc2)C1 ZINC001267757225 808485002 /nfs/dbraw/zinc/48/50/02/808485002.db2.gz AKYGDYOMUIKVHF-MZEUMTGBSA-N 1 1 298.430 3.199 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)c2ccoc2)C1 ZINC001267901863 808512786 /nfs/dbraw/zinc/51/27/86/808512786.db2.gz NNNZMSFWDZAGNM-MRXNPFEDSA-N 1 1 290.407 3.220 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001267957156 808521894 /nfs/dbraw/zinc/52/18/94/808521894.db2.gz YGQOZCBJEHMUHW-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCCC[N@H+](C)[C@@H]1COc2cccc(OC)c2C1 ZINC001173168530 808528977 /nfs/dbraw/zinc/52/89/77/808528977.db2.gz PYGQWVQOQOLOIW-AWEZNQCLSA-N 1 1 275.392 3.287 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)c1cc(C)cs1 ZINC001268235597 808566223 /nfs/dbraw/zinc/56/62/23/808566223.db2.gz KXFUTRIVTAQNDP-AWEZNQCLSA-N 1 1 294.464 3.415 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)C1(C)CCCCC1 ZINC001268247827 808568364 /nfs/dbraw/zinc/56/83/64/808568364.db2.gz UUFCUBHVOVXYEG-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)C1(F)CCCCC1 ZINC001268254559 808569402 /nfs/dbraw/zinc/56/94/02/808569402.db2.gz VERZOTUWUWLVNR-OAHLLOKOSA-N 1 1 298.446 3.404 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001268253361 808569849 /nfs/dbraw/zinc/56/98/49/808569849.db2.gz QABVRWVSRIAGHN-HYVNUMGLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CC(=C)Cl)C1 ZINC001268261115 808571752 /nfs/dbraw/zinc/57/17/52/808571752.db2.gz BLWYLPPUXSTCEJ-GJZGRUSLSA-N 1 1 296.842 3.018 20 30 CGEDMO CC[C@H]1CC[C@H]([N@H+]2CCc3cc(C#N)ccc3C2)C1 ZINC001173275031 808578971 /nfs/dbraw/zinc/57/89/71/808578971.db2.gz SMZZGMPZFRRESM-GUYCJALGSA-N 1 1 254.377 3.495 20 30 CGEDMO CC[C@@H]1CC[C@@H]([NH+]2CC(Oc3ccccc3C#N)C2)C1 ZINC001173281576 808583323 /nfs/dbraw/zinc/58/33/23/808583323.db2.gz ACBCTQIHWYSFMO-UKRRQHHQSA-N 1 1 270.376 3.200 20 30 CGEDMO CC[C@@H]1CC[C@@H]([N@H+]2CCCN(c3ccc(C#N)cn3)CC2)C1 ZINC001173286139 808587038 /nfs/dbraw/zinc/58/70/38/808587038.db2.gz FBAAQWLNPUREER-NVXWUHKLSA-N 1 1 298.434 3.044 20 30 CGEDMO CCSC[C@@H](C)[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001173300641 808599001 /nfs/dbraw/zinc/59/90/01/808599001.db2.gz MPUAOZLYPBNJCL-GFCCVEGCSA-N 1 1 260.406 3.058 20 30 CGEDMO C=CCOC1CCC([N@@H+](C)C2CC(F)(F)C2)CC1 ZINC001173319386 808609802 /nfs/dbraw/zinc/60/98/02/808609802.db2.gz INLBFZUZZCJVPM-UHFFFAOYSA-N 1 1 259.340 3.230 20 30 CGEDMO C=CCOC1CCC([N@H+]2CCC[C@@](C)(F)C2)CC1 ZINC001173320089 808610331 /nfs/dbraw/zinc/61/03/31/808610331.db2.gz ADGQPTMXXSWQRU-YMAMQOFZSA-N 1 1 255.377 3.324 20 30 CGEDMO C=CCOC1CCC([N@@H+]2CCC(F)(F)[C@@H](F)C2)CC1 ZINC001173320324 808611057 /nfs/dbraw/zinc/61/10/57/808611057.db2.gz GKGIQBFGYZZBSW-BPCQOVAHSA-N 1 1 277.330 3.179 20 30 CGEDMO C=CCOC1CCC([N@@H+](CCO)Cc2cccs2)CC1 ZINC001173320486 808611135 /nfs/dbraw/zinc/61/11/35/808611135.db2.gz OPUGPOVWFYVBLQ-UHFFFAOYSA-N 1 1 295.448 3.056 20 30 CGEDMO C=CCOC1CCC([N@H+]2CCC[C@@H]2CN2CCCC2)CC1 ZINC001173327146 808612481 /nfs/dbraw/zinc/61/24/81/808612481.db2.gz HCTQSGXKOASMMB-LXPRWKDFSA-N 1 1 292.467 3.060 20 30 CGEDMO N#CCC1CCC([N@H+]2CC[C@@H](Oc3ccncc3)C2)CC1 ZINC001173337485 808618727 /nfs/dbraw/zinc/61/87/27/808618727.db2.gz LZWZTTDUURVALD-VMBOVVBDSA-N 1 1 285.391 3.007 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C=C(CC)CC ZINC001268934810 808636960 /nfs/dbraw/zinc/63/69/60/808636960.db2.gz KRVYFIBVJQPIPT-PVAVHDDUSA-N 1 1 290.451 3.373 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)CCCCC ZINC001268988653 808640171 /nfs/dbraw/zinc/64/01/71/808640171.db2.gz SYXYOQGTVQVDAD-HOTGVXAUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@H+](CC)C1Cc2cc(F)c(F)cc2C1 ZINC001173488419 808644369 /nfs/dbraw/zinc/64/43/69/808644369.db2.gz VIBSKJQVLHSETO-UHFFFAOYSA-N 1 1 251.320 3.330 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)C2C(C)(C)C2(C)C)C1 ZINC001269226941 808658230 /nfs/dbraw/zinc/65/82/30/808658230.db2.gz FBQVHXCMIJYFCA-AWEZNQCLSA-N 1 1 292.467 3.168 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](CC)CCCC)C1 ZINC001269257157 808661358 /nfs/dbraw/zinc/66/13/58/808661358.db2.gz PCVONJLUAOVTLS-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001269287331 808666063 /nfs/dbraw/zinc/66/60/63/808666063.db2.gz HPWDJTCPIYGAQY-JKSUJKDBSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)C[C@@H](C)CC(C)(C)C ZINC001269311742 808667259 /nfs/dbraw/zinc/66/72/59/808667259.db2.gz VFOCJQJOJIGFOI-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C[N@H+]1CCc2c(C#N)c(Nc3ccccc3)sc2C1 ZINC001173791625 808670800 /nfs/dbraw/zinc/67/08/00/808670800.db2.gz ZUOSNTGSZQZZFS-UHFFFAOYSA-N 1 1 269.373 3.351 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](N(CC)C(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001269345432 808671640 /nfs/dbraw/zinc/67/16/40/808671640.db2.gz QUZLDKSRBFURMK-CVEARBPZSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CCC ZINC001269583597 808690388 /nfs/dbraw/zinc/69/03/88/808690388.db2.gz NDZFHXUZSTVJSO-XHSDSOJGSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)/C=C\C(C)(C)C)C2)C1 ZINC001269686081 808697701 /nfs/dbraw/zinc/69/77/01/808697701.db2.gz MEALZWAQOZHXSR-CNRGFGOASA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)CC[C@H](C)CC)C2)C1 ZINC001269743237 808702530 /nfs/dbraw/zinc/70/25/30/808702530.db2.gz YYLMESNJZJLXND-AEFFLSMTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC(=O)N1CCC2(CC[N@H+](CC(=C)Cl)C2)CC1 ZINC001270323535 808725702 /nfs/dbraw/zinc/72/57/02/808725702.db2.gz WCYBHOPHMAVFPY-UHFFFAOYSA-N 1 1 296.842 3.020 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@]1(C)CC[N@H+](C[C@@H](F)CC)C1 ZINC001270590683 808737593 /nfs/dbraw/zinc/73/75/93/808737593.db2.gz QEJIWAOPQSKDEZ-RDJZCZTQSA-N 1 1 296.430 3.084 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](CC)CCC)C1 ZINC001270643229 808741871 /nfs/dbraw/zinc/74/18/71/808741871.db2.gz SWMISGYWJJUKDL-NVXWUHKLSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)CC(C)(C)C=C)C1 ZINC001270965181 808756282 /nfs/dbraw/zinc/75/62/82/808756282.db2.gz BRFSATSYYSXGGD-SFHVURJKSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@]1(C)CCC[N@H+](CC[C@@H](C)F)C1 ZINC001270965627 808756787 /nfs/dbraw/zinc/75/67/87/808756787.db2.gz LXFZPPSKAYQHRV-NVXWUHKLSA-N 1 1 298.446 3.309 20 30 CGEDMO C=CCCCC(=O)NC[C@@]1(C)CCC[N@@H+](CCC=C)C1 ZINC001270983708 808757832 /nfs/dbraw/zinc/75/78/32/808757832.db2.gz RVVDXSLPEZHZKL-QGZVFWFLSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](F)C(C)C)C1 ZINC001270982042 808757874 /nfs/dbraw/zinc/75/78/74/808757874.db2.gz FCLSPSDMZZIMQE-DOTOQJQBSA-N 1 1 298.446 3.165 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@]1(C)CCC[N@H+](CCC(C)C)C1 ZINC001270982310 808758239 /nfs/dbraw/zinc/75/82/39/808758239.db2.gz HSAKYYUYWVZEIS-GOSISDBHSA-N 1 1 294.483 3.463 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCCCC ZINC001272045145 808795228 /nfs/dbraw/zinc/79/52/28/808795228.db2.gz UGKOIGMHBJPLBD-DLBZAZTESA-N 1 1 290.451 3.045 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)[C@H]1CC2CCC1CC2 ZINC001272178572 808801220 /nfs/dbraw/zinc/80/12/20/808801220.db2.gz LQJCIYBIIVGMPD-JCYILVPMSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CCc2c(CNC(=O)C=C(C)C)cccc2C1 ZINC001272909933 808826612 /nfs/dbraw/zinc/82/66/12/808826612.db2.gz VTDCXHUCZANAGR-UHFFFAOYSA-N 1 1 298.430 3.203 20 30 CGEDMO C=C(C)CN1CC[C@]2(CCC[N@@H+](CCC3CC3)CC2)C1=O ZINC001273163293 808836329 /nfs/dbraw/zinc/83/63/29/808836329.db2.gz KNLMNHYSINUJAS-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO CC(=O)c1ccc(Nc2cc[nH+]c3ccccc23)c(C#N)c1 ZINC001174038551 808837583 /nfs/dbraw/zinc/83/75/83/808837583.db2.gz BAJDTGSGPULYDM-UHFFFAOYSA-N 1 1 287.322 3.475 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2c(C)cccc2C)C1=O ZINC001273266445 808838965 /nfs/dbraw/zinc/83/89/65/808838965.db2.gz YBLDSKJVXSHNLX-LJQANCHMSA-N 1 1 298.430 3.056 20 30 CGEDMO CC(C)c1ccccc1[NH+]=C(NO)c1ccccc1N ZINC001174047538 808844686 /nfs/dbraw/zinc/84/46/86/808844686.db2.gz UIXRJYCIIANWDE-UHFFFAOYSA-N 1 1 269.348 3.449 20 30 CGEDMO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2CC1CCCCC1 ZINC001273508966 808850227 /nfs/dbraw/zinc/85/02/27/808850227.db2.gz IMRSBYXAYUUVLU-SFHVURJKSA-N 1 1 290.451 3.210 20 30 CGEDMO C=Cc1ccc(C(=O)N(C)CCC[N@@H+](C)CC(=C)C)cc1 ZINC001273566452 808855400 /nfs/dbraw/zinc/85/54/00/808855400.db2.gz SFOMZKKAZIEVDH-UHFFFAOYSA-N 1 1 286.419 3.300 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@H+](CCC)C1 ZINC001273599045 808855941 /nfs/dbraw/zinc/85/59/41/808855941.db2.gz NEPYICPMKYAPDE-DLBZAZTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C)C(C)(C)C1 ZINC001274454297 808876247 /nfs/dbraw/zinc/87/62/47/808876247.db2.gz NVEWMUVDSCQYTQ-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@](C)(F)CCCC)C(C)(C)C1 ZINC001274436783 808876416 /nfs/dbraw/zinc/87/64/16/808876416.db2.gz PRFVBPOHQHRVEY-WMLDXEAASA-N 1 1 298.446 3.308 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCC1 ZINC001275135065 808913724 /nfs/dbraw/zinc/91/37/24/808913724.db2.gz FSSYRGDNBYKRJE-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC1(C)C ZINC001275135577 808914167 /nfs/dbraw/zinc/91/41/67/808914167.db2.gz KUYZCDGKOZOPFX-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)c1cccc(C)c1 ZINC001275496120 808941116 /nfs/dbraw/zinc/94/11/16/808941116.db2.gz GXDMVDPHQSMYJY-HNNXBMFYSA-N 1 1 274.408 3.011 20 30 CGEDMO C=CCCC(=O)N[C@H](C)C[N@@H+](C)[C@@H](C)c1ccccc1 ZINC001275520717 808944005 /nfs/dbraw/zinc/94/40/05/808944005.db2.gz JDZLBSOIXPNSPZ-CABCVRRESA-N 1 1 274.408 3.150 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)c1ccc(C)c(Cl)c1 ZINC001275636878 808954227 /nfs/dbraw/zinc/95/42/27/808954227.db2.gz HKLBFBGXIWCORN-ZDUSSCGKSA-N 1 1 294.826 3.275 20 30 CGEDMO C=CC1(CC(=O)N[C@@H](C)C[N@@H+](C)CCCF)CCCCC1 ZINC001275672171 808957499 /nfs/dbraw/zinc/95/74/99/808957499.db2.gz HBYWJEJFAZASTE-HNNXBMFYSA-N 1 1 298.446 3.309 20 30 CGEDMO C=CCCC(=O)NC[C@@H](C)[N@@H+](C)[C@H](C)c1ccccc1 ZINC001275780777 808965897 /nfs/dbraw/zinc/96/58/97/808965897.db2.gz HQQYRPVADSYFSP-HUUCEWRRSA-N 1 1 274.408 3.150 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)C1CCC2(CC2)CC1 ZINC001275882400 808974563 /nfs/dbraw/zinc/97/45/63/808974563.db2.gz NLJJXQGTRUVOAF-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)CC1CCCCC1 ZINC001275945985 808979270 /nfs/dbraw/zinc/97/92/70/808979270.db2.gz QCXWZZKCKUEYOV-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC2CCC1CC2 ZINC001276012465 808984859 /nfs/dbraw/zinc/98/48/59/808984859.db2.gz PUQXJOMODCAMSV-ZGRYLRDCSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)CCCC)C(C)(C)C1 ZINC001276560480 809016848 /nfs/dbraw/zinc/01/68/48/809016848.db2.gz ALBXJPRUFVYLDS-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)CCC1CCCC1 ZINC001276780961 809031809 /nfs/dbraw/zinc/03/18/09/809031809.db2.gz BHDITRXZWOQNEX-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO CC#CCCCC(=O)NC[C@H]1CC[N@H+]1[C@H](C)c1ccccc1 ZINC001276909063 809042903 /nfs/dbraw/zinc/04/29/03/809042903.db2.gz MLMRXBIJRXOIDB-SJLPKXTDSA-N 1 1 298.430 3.132 20 30 CGEDMO C=CCCCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)c1ccccc1 ZINC001276908626 809043170 /nfs/dbraw/zinc/04/31/70/809043170.db2.gz JBMRCAZYTGVHFQ-RDJZCZTQSA-N 1 1 286.419 3.294 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@H](CC)CC1CCCC1 ZINC001276930382 809046637 /nfs/dbraw/zinc/04/66/37/809046637.db2.gz GIPFMACXUTZJFD-SJORKVTESA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)C[C@H](C)C1CCCCC1 ZINC001276940022 809047417 /nfs/dbraw/zinc/04/74/17/809047417.db2.gz JEOZXNVHZFEFHU-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)C1(C)CCC(C)CC1 ZINC001276976382 809051741 /nfs/dbraw/zinc/05/17/41/809051741.db2.gz BQVBLFNRRDDBHP-PQUAAJSLSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCCCC ZINC001277359816 809070609 /nfs/dbraw/zinc/07/06/09/809070609.db2.gz HZXBTZUOFYENNP-SJORKVTESA-N 1 1 290.451 3.045 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)/C=C/C(C)(C)C)CC1 ZINC001277384979 809072297 /nfs/dbraw/zinc/07/22/97/809072297.db2.gz GACZNDXALKFLDD-DHZHZOJOSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)[C@H](F)C(C)C)CC1 ZINC001277417882 809074855 /nfs/dbraw/zinc/07/48/55/809074855.db2.gz ZJMCHIYYZRFFRN-GOEBONIOSA-N 1 1 298.446 3.258 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N(C)C1C[NH+](CCCCCC)C1 ZINC001277651933 809086473 /nfs/dbraw/zinc/08/64/73/809086473.db2.gz KYFWOZDKPVJZAS-QGZVFWFLSA-N 1 1 280.456 3.312 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CC[C@@H]2C[C@@]21C(=O)N(C)C ZINC001278037162 809112814 /nfs/dbraw/zinc/11/28/14/809112814.db2.gz LCHPADDHKFUALO-LELNBSJKSA-N 1 1 292.467 3.456 20 30 CGEDMO CC#CCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC ZINC001278315906 809124830 /nfs/dbraw/zinc/12/48/30/809124830.db2.gz WNQIMONRDPKTFJ-SJORKVTESA-N 1 1 290.451 3.045 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)CC(C)(C)C3CC3)CCC[C@@H]12 ZINC001278445014 809134936 /nfs/dbraw/zinc/13/49/36/809134936.db2.gz HRKVPBDAEPHSOI-CRAIPNDOSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C(=O)[C@@H]1C[C@@H]1C(C)C)C(C)C ZINC001278926172 809156239 /nfs/dbraw/zinc/15/62/39/809156239.db2.gz BVGKACMJRNNTDX-IAGOWNOFSA-N 1 1 294.483 3.414 20 30 CGEDMO C=CCC1(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CCCC1 ZINC001279399997 809171671 /nfs/dbraw/zinc/17/16/71/809171671.db2.gz LLFHRGUOVFDLJZ-KRWDZBQOSA-N 1 1 296.430 3.204 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC001174891237 809193011 /nfs/dbraw/zinc/19/30/11/809193011.db2.gz RCOBMKAVCUQUNI-ZIAGYGMSSA-N 1 1 251.414 3.478 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H]1CC1(C)C ZINC001280802086 809199803 /nfs/dbraw/zinc/19/98/03/809199803.db2.gz DHSXIOIPCWAUBX-HUUCEWRRSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H](NC(=O)c2ccco2)C(C)(C)C1 ZINC001281537214 809213583 /nfs/dbraw/zinc/21/35/83/809213583.db2.gz VJADLQKVYKWSED-HNNXBMFYSA-N 1 1 290.407 3.076 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C(C)(C)C)C(C)(C)C1 ZINC001281559317 809215249 /nfs/dbraw/zinc/21/52/49/809215249.db2.gz WVGJHNLKGAWTMI-GJZGRUSLSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2)C[C@H]1C ZINC001281644622 809217084 /nfs/dbraw/zinc/21/70/84/809217084.db2.gz MUUHLZXRFMUYLH-WBVHZDCISA-N 1 1 286.419 3.236 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](CC(=C)C)[C@@H](C)C2)CCC1 ZINC001281673829 809217886 /nfs/dbraw/zinc/21/78/86/809217886.db2.gz FZIPOSJJWTXZKC-JKSUJKDBSA-N 1 1 290.451 3.278 20 30 CGEDMO CC#CCCCC(=O)N[C@@H]1CC[N@@H+](CC=C(C)C)[C@H](C)C1 ZINC001281675574 809218096 /nfs/dbraw/zinc/21/80/96/809218096.db2.gz MMLSPXSQCZMJQB-IAGOWNOFSA-N 1 1 290.451 3.115 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)CNC(=O)c1ccc(C(C)C)cc1 ZINC001282484673 809251113 /nfs/dbraw/zinc/25/11/13/809251113.db2.gz FXMJECAFFBVSCN-CQSZACIVSA-N 1 1 274.408 3.046 20 30 CGEDMO C=CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](F)CC ZINC001282667239 809258635 /nfs/dbraw/zinc/25/86/35/809258635.db2.gz XETYEPMETGWTQC-GJZGRUSLSA-N 1 1 284.419 3.062 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1C[N@H+](CCC(C)C)CC1(C)C ZINC001282823051 809264904 /nfs/dbraw/zinc/26/49/04/809264904.db2.gz OPRZMDSWXKJPQM-HNNXBMFYSA-N 1 1 294.483 3.461 20 30 CGEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)C(CC)(CC)CC)C(C)(C)C1 ZINC001282831421 809265013 /nfs/dbraw/zinc/26/50/13/809265013.db2.gz FCQGJYNYCMXGFD-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO CC#CCCCC(=O)N1CCC([N@H+](C)C[C@@H](C)CC)CC1 ZINC001283319720 809275139 /nfs/dbraw/zinc/27/51/39/809275139.db2.gz NWAXNHORHOCNGG-INIZCTEOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCC[N@H+]1CC[C@]2(NC(=O)CC3CCC3)CCC[C@@H]12 ZINC001284045670 809293387 /nfs/dbraw/zinc/29/33/87/809293387.db2.gz PDWFKGLYKKFYHF-SJLPKXTDSA-N 1 1 290.451 3.256 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@]12CCC[C@H]1[N@@H+](C(C)C)CC2 ZINC001284055390 809293817 /nfs/dbraw/zinc/29/38/17/809293817.db2.gz AXRKMYQMYGOHFM-AEFFLSMTSA-N 1 1 290.451 3.276 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2cocc2C)[C@@H]1C ZINC001284132935 809298129 /nfs/dbraw/zinc/29/81/29/809298129.db2.gz YHWOOWJPYYIHFJ-HOCLYGCPSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)[C@@H](C)c1cccs1)C(C)C ZINC001284544672 809308280 /nfs/dbraw/zinc/30/82/80/809308280.db2.gz OHKOXHVXMYFBFK-AWEZNQCLSA-N 1 1 294.464 3.206 20 30 CGEDMO C=CCCCCCN(C)C(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[N@@H+]2C1 ZINC001293771687 809454040 /nfs/dbraw/zinc/45/40/40/809454040.db2.gz XGUJMIIYNZDWJB-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C[N@H+]1CCC=C(Nc2cccc(C(F)(F)F)c2C#N)C1 ZINC001175578129 809459954 /nfs/dbraw/zinc/45/99/54/809459954.db2.gz CZSOPBIIYXVHAQ-UHFFFAOYSA-N 1 1 281.281 3.208 20 30 CGEDMO C=CCCC[N@H+](CC)CCOc1ccc([N+](=O)[O-])cc1 ZINC001176798564 809761783 /nfs/dbraw/zinc/76/17/83/809761783.db2.gz SRTACNWSPSDRAW-UHFFFAOYSA-N 1 1 278.352 3.262 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CNCC[NH+]1CCCCCC1 ZINC001177236004 809789398 /nfs/dbraw/zinc/78/93/98/809789398.db2.gz KKYHCOOTGIBWQI-UHFFFAOYSA-N 1 1 285.435 3.141 20 30 CGEDMO C#CC[N@@H+](CC#CC)Cc1c(C)oc2ccccc21 ZINC001180203246 809983291 /nfs/dbraw/zinc/98/32/91/809983291.db2.gz NBPZSPSHYJJROH-UHFFFAOYSA-N 1 1 251.329 3.200 20 30 CGEDMO C#CC[N@H+](CC#CC)Cc1c(C)oc2ccccc21 ZINC001180203246 809983295 /nfs/dbraw/zinc/98/32/95/809983295.db2.gz NBPZSPSHYJJROH-UHFFFAOYSA-N 1 1 251.329 3.200 20 30 CGEDMO CC[C@H](CC#N)N[C@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001180593904 810013261 /nfs/dbraw/zinc/01/32/61/810013261.db2.gz PVRIOMSFEVTNOC-NXHRZFHOSA-N 1 1 285.435 3.321 20 30 CGEDMO CC[C@H](CC#N)[NH2+][C@H]1CC[C@@H](C)N(Cc2ccccc2)C1 ZINC001180593904 810013265 /nfs/dbraw/zinc/01/32/65/810013265.db2.gz PVRIOMSFEVTNOC-NXHRZFHOSA-N 1 1 285.435 3.321 20 30 CGEDMO C=CCN1CC[C@@H]([N@H+](C)C[C@H](C)CC2CCCCC2)C1=O ZINC001181244346 810043772 /nfs/dbraw/zinc/04/37/72/810043772.db2.gz PWXFENYVZBWKNY-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[C@@H]1[N@@H+](C[C@H]2COC(C)(C)O2)CCCC1(C)C ZINC001181297815 810046858 /nfs/dbraw/zinc/04/68/58/810046858.db2.gz XEALMLCAFDBTIN-KBPBESRZSA-N 1 1 267.413 3.205 20 30 CGEDMO C=C1CC=C(F)C=C1NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183756446 810159946 /nfs/dbraw/zinc/15/99/46/810159946.db2.gz GVZHAZVOYVUKMH-KRWDZBQOSA-N 1 1 298.361 3.074 20 30 CGEDMO C=C1CC=C(F)C=C1NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC001183756446 810159949 /nfs/dbraw/zinc/15/99/49/810159949.db2.gz GVZHAZVOYVUKMH-KRWDZBQOSA-N 1 1 298.361 3.074 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)C3CCC3)[C@@H]2C1 ZINC001186637582 810353024 /nfs/dbraw/zinc/35/30/24/810353024.db2.gz WCVBMMNFGAKMQL-DLBZAZTESA-N 1 1 292.467 3.290 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)/C=C/C(C)(C)C)[C@@H]2C1 ZINC001187367783 810396487 /nfs/dbraw/zinc/39/64/87/810396487.db2.gz WPOSPWIQTNULRX-VKFONMJVSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCC(=C)C)[C@@H]2C1 ZINC001188080947 810452157 /nfs/dbraw/zinc/45/21/57/810452157.db2.gz RIAUFFJOZGVKRO-IXDOHACOSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)CC2CCCCC2)C1 ZINC001188766020 810510993 /nfs/dbraw/zinc/51/09/93/810510993.db2.gz UNBFACLLWYZKIE-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)c2cc(C)oc2C)C1 ZINC001188821676 810516852 /nfs/dbraw/zinc/51/68/52/810516852.db2.gz STHVDKKBMMSUOT-HNNXBMFYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C(F)=C(C)C)C1 ZINC001189619364 810582398 /nfs/dbraw/zinc/58/23/98/810582398.db2.gz BZPSRIBNPKHSNR-UONOGXRCSA-N 1 1 282.403 3.137 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C(C)=C2CCC2)C1 ZINC001190025162 810603090 /nfs/dbraw/zinc/60/30/90/810603090.db2.gz OMMBYUKSKIJQBN-PBHICJAKSA-N 1 1 290.451 3.374 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[C@H]([N@@H+](C)C/C=C/Cl)C1 ZINC001190354655 810621243 /nfs/dbraw/zinc/62/12/43/810621243.db2.gz MPODQMPEPURPEA-WGPYJDKQSA-N 1 1 296.842 3.040 20 30 CGEDMO C#CCC[N@H+](C)[C@H]1CCN(C(=O)CCC[C@H](C)CCC)C1 ZINC001190369266 810623926 /nfs/dbraw/zinc/62/39/26/810623926.db2.gz AVQLPQHZGCWJAS-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)C2(C)CCCCCC2)C1 ZINC001190704685 810645063 /nfs/dbraw/zinc/64/50/63/810645063.db2.gz MLXRAAYALWVDPX-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC=CCCC2)C1 ZINC001190879093 810655455 /nfs/dbraw/zinc/65/54/55/810655455.db2.gz OEOIADZUDGQVIF-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO CCCCCCCCNC(=O)NCC[C@H]1CCC[N@H+]1C ZINC001191075122 810670817 /nfs/dbraw/zinc/67/08/17/810670817.db2.gz NVDCFWHEWZOXIV-OAHLLOKOSA-N 1 1 283.460 3.130 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(CC)s2)C1 ZINC001191197563 810688139 /nfs/dbraw/zinc/68/81/39/810688139.db2.gz LGPQLRJAKUAQNL-ZDUSSCGKSA-N 1 1 292.448 3.033 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@@H]([N@H+](C)CC/C=C/CC)C1 ZINC001191718410 810731248 /nfs/dbraw/zinc/73/12/48/810731248.db2.gz GHZUCARQMYMKKN-XVJNWHFHSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)c2cc(C)co2)C1 ZINC001191838318 810750419 /nfs/dbraw/zinc/75/04/19/810750419.db2.gz JARJSYXAWDOWHL-CABCVRRESA-N 1 1 290.407 3.089 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)CCCC#CC)C1 ZINC001191858929 810752506 /nfs/dbraw/zinc/75/25/06/810752506.db2.gz FOPIVQYTVIYSRX-IRXDYDNUSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCCCC(=O)N1CC[C@@H]([N@@H+](C)CCC(C)(C)C)C1 ZINC001192093769 810768853 /nfs/dbraw/zinc/76/88/53/810768853.db2.gz MOCFQYYAFLIDFL-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C2(C)CCCCC2)C1 ZINC001192125193 810771035 /nfs/dbraw/zinc/77/10/35/810771035.db2.gz DGZYHBDJHWKZRI-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@@H]([N@@H+](C)CC=C(C)C)C2)CCC1 ZINC001192190479 810773872 /nfs/dbraw/zinc/77/38/72/810773872.db2.gz RBEAXBUNGNLEQH-MRXNPFEDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)C2(CCCC)CC2)C1 ZINC001192190919 810774081 /nfs/dbraw/zinc/77/40/81/810774081.db2.gz VODSQLFZCOGIOR-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC1(C(=O)N2CC[C@H]([N@@H+](C)CC=C(C)C)C2)CC1 ZINC001192206560 810776281 /nfs/dbraw/zinc/77/62/81/810776281.db2.gz PNCZUTQAPKEUBH-INIZCTEOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@H]([N@H+](C)C[C@H](F)CC)C2)CCC1 ZINC001192227575 810778384 /nfs/dbraw/zinc/77/83/84/810778384.db2.gz SKWRHCRHABKMGM-CABCVRRESA-N 1 1 296.430 3.014 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC[C@@H]([N@H+](C)CC(CC)CC)C2)C1 ZINC001192257080 810781300 /nfs/dbraw/zinc/78/13/00/810781300.db2.gz LYACBUYRWJHYSN-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C[C@@H](c1ccccc1)[N@@H+](CCO)Cc1ccc(C#N)s1 ZINC001192391161 810794319 /nfs/dbraw/zinc/79/43/19/810794319.db2.gz QSOSQZQIBBFULB-ZDUSSCGKSA-N 1 1 286.400 3.175 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@H]([N@H+](C)CCC(C)C)C1 ZINC001192577922 810807822 /nfs/dbraw/zinc/80/78/22/810807822.db2.gz JULVLDNYNDAEHK-HNNXBMFYSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)CCC(C)(C)C)C1 ZINC001192959428 810836094 /nfs/dbraw/zinc/83/60/94/810836094.db2.gz IOPXYLCSOJSNSE-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@](C)(CC)CCC)C1 ZINC001193077913 810852456 /nfs/dbraw/zinc/85/24/56/810852456.db2.gz OPYGVGLKTJYFDW-RDJZCZTQSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)CC(CC)CC)C1 ZINC001193110528 810858337 /nfs/dbraw/zinc/85/83/37/810858337.db2.gz NLQDPRFZOISMNS-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](F)CCCCCC)C1 ZINC001193478427 810893886 /nfs/dbraw/zinc/89/38/86/810893886.db2.gz MHANCEDVFGMIBZ-JKSUJKDBSA-N 1 1 298.446 3.404 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)C(C)(C)C)C1 ZINC001193695524 810937323 /nfs/dbraw/zinc/93/73/23/810937323.db2.gz JBJNWFRPSXKMMR-LSDHHAIUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)[C@@H](C)c1ccc(F)c(F)c1 ZINC001193913214 810978863 /nfs/dbraw/zinc/97/88/63/810978863.db2.gz GQQBTGJJUJRYRB-ZDUSSCGKSA-N 1 1 282.378 3.466 20 30 CGEDMO C=CCN(C)CC[N@@H+](CC)[C@@H](C)c1ccc(F)c(F)c1 ZINC001193913214 810978868 /nfs/dbraw/zinc/97/88/68/810978868.db2.gz GQQBTGJJUJRYRB-ZDUSSCGKSA-N 1 1 282.378 3.466 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)[C@@H](C)c1ccc(F)c(F)c1 ZINC001193913214 810978872 /nfs/dbraw/zinc/97/88/72/810978872.db2.gz GQQBTGJJUJRYRB-ZDUSSCGKSA-N 1 1 282.378 3.466 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001193943301 810981775 /nfs/dbraw/zinc/98/17/75/810981775.db2.gz UGFRAJLPXASYCC-AWEZNQCLSA-N 1 1 290.363 3.404 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)OCCCCCCC ZINC001194019511 811003109 /nfs/dbraw/zinc/00/31/09/811003109.db2.gz NSHQSPFYWBOTSO-HNNXBMFYSA-N 1 1 282.428 3.333 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@H]([N@H+](C)CCC)C2)CCCC1 ZINC001194566358 811092145 /nfs/dbraw/zinc/09/21/45/811092145.db2.gz FNJKGBKGTDGQEI-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)c2sccc2C)CC1 ZINC001194665642 811103325 /nfs/dbraw/zinc/10/33/25/811103325.db2.gz JYCBKYMHXOXUKV-UHFFFAOYSA-N 1 1 292.448 3.171 20 30 CGEDMO CCCCCCCCOC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC001194747707 811122952 /nfs/dbraw/zinc/12/29/52/811122952.db2.gz HBBWLSLCYOADCD-AWEZNQCLSA-N 1 1 270.417 3.025 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)c2occc2C)CC1 ZINC001194830103 811149285 /nfs/dbraw/zinc/14/92/85/811149285.db2.gz HNDRPFRCJTTYBS-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CCCCCC[N@H+]1CCCC[C@H]1COC(=O)NC1CC1 ZINC001194890888 811165009 /nfs/dbraw/zinc/16/50/09/811165009.db2.gz NRSOWEGKAPMHFV-INIZCTEOSA-N 1 1 294.439 3.476 20 30 CGEDMO N#Cc1ccc(F)c(Nc2cc[nH+]cc2C(F)(F)F)c1 ZINC001214590747 815427962 /nfs/dbraw/zinc/42/79/62/815427962.db2.gz VYGRKDPDQREEFH-UHFFFAOYSA-N 1 1 281.212 3.277 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)CCCC(C)(C)C)CC1 ZINC001195284324 811237266 /nfs/dbraw/zinc/23/72/66/811237266.db2.gz UDKFBMNMBWZIBS-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO CCCCCCCCCC[N@H+]1CC[C@@](O)(CC#N)C1 ZINC001195509040 811265738 /nfs/dbraw/zinc/26/57/38/811265738.db2.gz RYQPLWWXMRGKMZ-INIZCTEOSA-N 1 1 266.429 3.478 20 30 CGEDMO CC(C)(C)C#CC(=O)N1CCC[N@H+](CCC(C)(C)C)CC1 ZINC001195785169 811290984 /nfs/dbraw/zinc/29/09/84/811290984.db2.gz FNRZBUAHTAXKBK-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)OCc1ccccc1 ZINC001196056570 811314390 /nfs/dbraw/zinc/31/43/90/811314390.db2.gz LSBQHIBYITVMHA-DLBZAZTESA-N 1 1 287.403 3.454 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@@H](C)C(C)(C)C)CC1 ZINC001196287864 811332144 /nfs/dbraw/zinc/33/21/44/811332144.db2.gz IIBSUEZEKLOKJJ-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@H](C)C(C)(C)C)CC1 ZINC001196287863 811332267 /nfs/dbraw/zinc/33/22/67/811332267.db2.gz IIBSUEZEKLOKJJ-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)[C@@](C)(F)CCCC)CC1 ZINC001196357602 811336353 /nfs/dbraw/zinc/33/63/53/811336353.db2.gz HNHVZZFFZBBJDI-INIZCTEOSA-N 1 1 284.419 3.015 20 30 CGEDMO C[N@@H+](C[C@@H]1CCCC12CCOCC2)[C@H]1CCC[C@H]1C#N ZINC001196834049 811373745 /nfs/dbraw/zinc/37/37/45/811373745.db2.gz WFQMPCZYCQJZIM-JYJNAYRXSA-N 1 1 276.424 3.207 20 30 CGEDMO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](CCCCCF)CC1 ZINC001196854749 811374900 /nfs/dbraw/zinc/37/49/00/811374900.db2.gz SSBJFHHEPAQHQY-HZPDHXFCSA-N 1 1 298.446 3.119 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@H](C)CC(=C)C)CC1 ZINC001196881188 811376780 /nfs/dbraw/zinc/37/67/80/811376780.db2.gz QOWHPDKYUFKEKG-SJORKVTESA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCCCC(=O)N1CCC[N@H+](CCC(C)(C)C)CC1 ZINC001197000252 811388568 /nfs/dbraw/zinc/38/85/68/811388568.db2.gz NTVGXTJLOUEDJF-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C2(C)CC=CC2)CC1 ZINC001197029536 811392114 /nfs/dbraw/zinc/39/21/14/811392114.db2.gz VEISEWWDWFTNIP-INIZCTEOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C2(C)CC=CC2)CC1 ZINC001197029537 811392335 /nfs/dbraw/zinc/39/23/35/811392335.db2.gz VEISEWWDWFTNIP-MRXNPFEDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[N@H+](CCCCC)CC1 ZINC001197037944 811392382 /nfs/dbraw/zinc/39/23/82/811392382.db2.gz SPJFSPIBMAPCCY-KRWDZBQOSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCCC1(C(=O)N2CCC[N@H+](CC=C(C)C)CC2)CC1 ZINC001197061467 811395500 /nfs/dbraw/zinc/39/55/00/811395500.db2.gz BKSYLHHDJISTEO-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)c2csc(C)c2)CC1 ZINC001197447385 811424957 /nfs/dbraw/zinc/42/49/57/811424957.db2.gz DLAFDSIKJVJPQM-UHFFFAOYSA-N 1 1 292.448 3.171 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@H](C2CCOCC2)C1 ZINC001198061320 811474747 /nfs/dbraw/zinc/47/47/47/811474747.db2.gz PSYCIHMCHHGOBZ-INIZCTEOSA-N 1 1 251.414 3.481 20 30 CGEDMO C#CC[N@H+]1CCCN(C(=O)[C@](C)(CC)CCCCC)CC1 ZINC001198296743 811489145 /nfs/dbraw/zinc/48/91/45/811489145.db2.gz WEXFNPVRPFQVNF-GOSISDBHSA-N 1 1 292.467 3.151 20 30 CGEDMO C#CC[N@@H+]1CCCN(C(=O)[C@](C)(CC)CCCCC)CC1 ZINC001198296743 811489149 /nfs/dbraw/zinc/48/91/49/811489149.db2.gz WEXFNPVRPFQVNF-GOSISDBHSA-N 1 1 292.467 3.151 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C[C@@H](C)C2CC2)CC1 ZINC001198274969 811489566 /nfs/dbraw/zinc/48/95/66/811489566.db2.gz WDCACDKPUWWSAA-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@H]1CCC[N@H+]1Cc1cc(Cl)n(C)n1 ZINC001198414206 811499386 /nfs/dbraw/zinc/49/93/86/811499386.db2.gz HJFPUDXHLAIEKN-LBPRGKRZSA-N 1 1 253.777 3.004 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1cc(Cl)n(C)n1 ZINC001198414206 811499390 /nfs/dbraw/zinc/49/93/90/811499390.db2.gz HJFPUDXHLAIEKN-LBPRGKRZSA-N 1 1 253.777 3.004 20 30 CGEDMO C=CCCC[N@H+](CC)CC(=O)N(CCC)CC(F)(F)F ZINC001198458414 811505465 /nfs/dbraw/zinc/50/54/65/811505465.db2.gz RWDPLDAGSTVIIB-UHFFFAOYSA-N 1 1 294.361 3.075 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1C[C@@H]1CC(c2ccc(Cl)cc2)=NO1 ZINC001198489580 811508511 /nfs/dbraw/zinc/50/85/11/811508511.db2.gz CDIZPEPBVAGGBU-GJZGRUSLSA-N 1 1 290.794 3.483 20 30 CGEDMO CCCCCCCCCNC(=S)N1CC[N@H+]2CC[C@@H]2C1 ZINC001200377339 811683636 /nfs/dbraw/zinc/68/36/36/811683636.db2.gz UCPUETJPPCMYLU-OAHLLOKOSA-N 1 1 297.512 3.001 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@H+](C[C@H]1CC=CCC1)CC2 ZINC001201409503 811835346 /nfs/dbraw/zinc/83/53/46/811835346.db2.gz VLEUFDBEJJPBJR-AWEZNQCLSA-N 1 1 252.361 3.273 20 30 CGEDMO CC[C@H](C)C[N@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001201516419 811877717 /nfs/dbraw/zinc/87/77/17/811877717.db2.gz XZUASSKDNDHQKS-WMLDXEAASA-N 1 1 272.392 3.448 20 30 CGEDMO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](CCC(C)C)CCO2 ZINC001201620413 811921422 /nfs/dbraw/zinc/92/14/22/811921422.db2.gz NZZCWCGELPQYPR-IAGOWNOFSA-N 1 1 281.440 3.106 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@](C)(C(=O)OC)C1 ZINC001201787445 811965164 /nfs/dbraw/zinc/96/51/64/811965164.db2.gz BZXSPJPUNQUHQZ-HNNXBMFYSA-N 1 1 255.402 3.232 20 30 CGEDMO CCCCCCCC[N@@H+]1CCOC[C@@H]1CCC(=O)OC ZINC001201840143 811969309 /nfs/dbraw/zinc/96/93/09/811969309.db2.gz NJOXKNYKKHXZEA-HNNXBMFYSA-N 1 1 285.428 3.001 20 30 CGEDMO CCCCCCCC[N@H+]1CCOC[C@@H]1CCC(=O)OC ZINC001201840143 811969313 /nfs/dbraw/zinc/96/93/13/811969313.db2.gz NJOXKNYKKHXZEA-HNNXBMFYSA-N 1 1 285.428 3.001 20 30 CGEDMO CCCCCCCCC[N@H+]1C[C@@H](F)C[C@H](CO)C1 ZINC001201838879 811969407 /nfs/dbraw/zinc/96/94/07/811969407.db2.gz GBXRDLQZDYNAAK-GJZGRUSLSA-N 1 1 259.409 3.389 20 30 CGEDMO N#CCC[N@@H+](C[C@@H]1CCOC1)C1CCCCCCC1 ZINC001202498450 812109144 /nfs/dbraw/zinc/10/91/44/812109144.db2.gz UGUZJSMBFMUWKS-HNNXBMFYSA-N 1 1 264.413 3.351 20 30 CGEDMO C#CC[N@@H+](Cc1cc(CC)no1)[C@@H]1CCc2ccccc21 ZINC001203225344 812270454 /nfs/dbraw/zinc/27/04/54/812270454.db2.gz OSBOKGSPDYYBNY-GOSISDBHSA-N 1 1 280.371 3.360 20 30 CGEDMO C#CC[N@H+](Cc1cc(CC)no1)[C@@H]1CCc2ccccc21 ZINC001203225344 812270459 /nfs/dbraw/zinc/27/04/59/812270459.db2.gz OSBOKGSPDYYBNY-GOSISDBHSA-N 1 1 280.371 3.360 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)CC1 ZINC001203663760 812422684 /nfs/dbraw/zinc/42/26/84/812422684.db2.gz GNAPJNSQOQOYDL-LLVKDONJSA-N 1 1 264.756 3.171 20 30 CGEDMO Cn1c2ccccc2[nH+]c1Nc1cc(F)c(C#N)c(F)c1 ZINC001203669524 812426005 /nfs/dbraw/zinc/42/60/05/812426005.db2.gz UILBRBFZLJRONJ-UHFFFAOYSA-N 1 1 284.269 3.467 20 30 CGEDMO COc1cc(C)c(C[N@H+]2CCC[C@H](CC#N)C2)cc1C ZINC001203759452 812456669 /nfs/dbraw/zinc/45/66/69/812456669.db2.gz FOIFDMXASCGGKX-OAHLLOKOSA-N 1 1 272.392 3.438 20 30 CGEDMO COc1cccc(CC[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC001203762566 812457915 /nfs/dbraw/zinc/45/79/15/812457915.db2.gz KWASWDWOQGAEMS-UHFFFAOYSA-N 1 1 280.371 3.241 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC001203908352 812488271 /nfs/dbraw/zinc/48/82/71/812488271.db2.gz RZAIOHZKOIVBPZ-LBPRGKRZSA-N 1 1 278.193 3.294 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(Br)cc2)C1 ZINC001203908352 812488274 /nfs/dbraw/zinc/48/82/74/812488274.db2.gz RZAIOHZKOIVBPZ-LBPRGKRZSA-N 1 1 278.193 3.294 20 30 CGEDMO N#CCC[NH2+]Cc1ccnc2c(Br)cccc12 ZINC001204011720 812517659 /nfs/dbraw/zinc/51/76/59/812517659.db2.gz HITCQZSLENPSGO-UHFFFAOYSA-N 1 1 290.164 3.001 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2F)CC1 ZINC001204219883 812577267 /nfs/dbraw/zinc/57/72/67/812577267.db2.gz OMRHIJORSMTGES-LLVKDONJSA-N 1 1 250.292 3.090 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2F)CC1 ZINC001204219883 812577271 /nfs/dbraw/zinc/57/72/71/812577271.db2.gz OMRHIJORSMTGES-LLVKDONJSA-N 1 1 250.292 3.090 20 30 CGEDMO C=CC[NH+](CC=C)Cc1ccc(OC)c(C)c1OC ZINC001204263162 812592072 /nfs/dbraw/zinc/59/20/72/812592072.db2.gz LQYUIDUCAZNMOE-UHFFFAOYSA-N 1 1 261.365 3.186 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)cc1 ZINC001204297658 812603644 /nfs/dbraw/zinc/60/36/44/812603644.db2.gz MMOWIAIKEKCEGC-SJLPKXTDSA-N 1 1 287.403 3.252 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@](C)(CF)C2)cc1 ZINC001204298034 812604698 /nfs/dbraw/zinc/60/46/98/812604698.db2.gz UQBXUELJBBLUBL-MRXNPFEDSA-N 1 1 263.356 3.433 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2C[C@@H](C)C[C@H]2CF)cc1 ZINC001204297661 812604791 /nfs/dbraw/zinc/60/47/91/812604791.db2.gz MQHNWCRXOBWPMP-ZFWWWQNUSA-N 1 1 263.356 3.431 20 30 CGEDMO C=C(C)COc1ccccc1CN1CCC[C@@](C)([NH3+])CC1 ZINC001205266955 812923745 /nfs/dbraw/zinc/92/37/45/812923745.db2.gz YUGWXITWVZZGJE-GOSISDBHSA-N 1 1 288.435 3.345 20 30 CGEDMO C=C(C)COc1ccccc1CN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001205304023 812942602 /nfs/dbraw/zinc/94/26/02/812942602.db2.gz MXWQCBKLRLHYJT-WBVHZDCISA-N 1 1 288.435 3.058 20 30 CGEDMO C=CCCCCCCCN1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205760532 813069333 /nfs/dbraw/zinc/06/93/33/813069333.db2.gz BBESEEMADDHNFW-CQSZACIVSA-N 1 1 274.399 3.429 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccoc2)C1 ZINC001205965297 813147517 /nfs/dbraw/zinc/14/75/17/813147517.db2.gz QSQLWEIUWSQDNP-GDBMZVCRSA-N 1 1 290.407 3.076 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCCC)C1 ZINC001206018593 813167614 /nfs/dbraw/zinc/16/76/14/813167614.db2.gz SZPLXRUBJQDVQM-OWCLPIDISA-N 1 1 280.456 3.358 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@](N)(C(F)(F)F)C1 ZINC001206210979 813242898 /nfs/dbraw/zinc/24/28/98/813242898.db2.gz LNDBKIHIHKMEIU-GFCCVEGCSA-N 1 1 266.351 3.312 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CCC[C@@](C)(C[NH3+])CC2)c1[O-] ZINC001206304934 813281154 /nfs/dbraw/zinc/28/11/54/813281154.db2.gz RUVWNYQAZPIZRJ-GOSISDBHSA-N 1 1 288.435 3.072 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2CCC[C@@](C)(C[NH3+])CC2)c1[O-] ZINC001206304934 813281158 /nfs/dbraw/zinc/28/11/58/813281158.db2.gz RUVWNYQAZPIZRJ-GOSISDBHSA-N 1 1 288.435 3.072 20 30 CGEDMO C=CC[N@H+](Cc1ccncc1OC)C1CCCCC1 ZINC001206494300 813334099 /nfs/dbraw/zinc/33/40/99/813334099.db2.gz YAXRQQADYFNTEC-UHFFFAOYSA-N 1 1 260.381 3.411 20 30 CGEDMO C=C[C@@H](CCCCCC)OCCCN1CC[NH+](C)CC1 ZINC001206595845 813369500 /nfs/dbraw/zinc/36/95/00/813369500.db2.gz JIAUSSDCMQTICJ-KRWDZBQOSA-N 1 1 282.472 3.166 20 30 CGEDMO C=C(C)COc1ccccc1CN1CCCC[C@@H](C[NH3+])C1 ZINC001206615156 813376390 /nfs/dbraw/zinc/37/63/90/813376390.db2.gz DGWGIJMTJRONLP-INIZCTEOSA-N 1 1 288.435 3.202 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C2CC2)C1 ZINC001206766088 813428730 /nfs/dbraw/zinc/42/87/30/813428730.db2.gz IJASDZQDTAXNJJ-BFYDXBDKSA-N 1 1 294.483 3.439 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)CCCC)C1 ZINC001206926691 813458411 /nfs/dbraw/zinc/45/84/11/813458411.db2.gz AHYUIBFROHNGHA-BZUAXINKSA-N 1 1 280.456 3.215 20 30 CGEDMO CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC001207108435 813486866 /nfs/dbraw/zinc/48/68/66/813486866.db2.gz BGRHLUBAGGKWPJ-GOSISDBHSA-N 1 1 279.387 3.406 20 30 CGEDMO C=C(C)C[C@@H]([NH2+][C@@H](CC)Cc1ccc(C)cc1)C(=O)OC ZINC001207129453 813492796 /nfs/dbraw/zinc/49/27/96/813492796.db2.gz NVVJZWVDNHZYHY-DLBZAZTESA-N 1 1 289.419 3.414 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](CCCCCC)C[C@H]1C ZINC001207215389 813517116 /nfs/dbraw/zinc/51/71/16/813517116.db2.gz HWLFCTHHEMLQMI-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@@H+](CC(C)(C)CN(C)C)C1CCCCC1 ZINC001207283957 813534296 /nfs/dbraw/zinc/53/42/96/813534296.db2.gz GEIOPWHMXBNGNX-UHFFFAOYSA-N 1 1 252.446 3.395 20 30 CGEDMO C=CC[N@H+](CC(C)(C)CN(C)C)C1CCCCC1 ZINC001207283957 813534300 /nfs/dbraw/zinc/53/43/00/813534300.db2.gz GEIOPWHMXBNGNX-UHFFFAOYSA-N 1 1 252.446 3.395 20 30 CGEDMO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1ncccc1Br ZINC001207798665 813652552 /nfs/dbraw/zinc/65/25/52/813652552.db2.gz PCGQAYRDALRZLC-JTQLQIEISA-N 1 1 296.212 3.262 20 30 CGEDMO C=CCCCCCCCCC[N@@H+]1CCO[C@@H](C(=O)OC)C1 ZINC001207895765 813666203 /nfs/dbraw/zinc/66/62/03/813666203.db2.gz DFXGUAQPAMIIDA-MRXNPFEDSA-N 1 1 297.439 3.167 20 30 CGEDMO C=CCCCCCCCCC[N@H+]1CCO[C@@H](C(=O)OC)C1 ZINC001207895765 813666209 /nfs/dbraw/zinc/66/62/09/813666209.db2.gz DFXGUAQPAMIIDA-MRXNPFEDSA-N 1 1 297.439 3.167 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC001208118501 813696791 /nfs/dbraw/zinc/69/67/91/813696791.db2.gz JSBFAYSLRPLIBE-BLGFXRMMSA-N 1 1 294.483 3.310 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+](C)Cc2cnccn2)CC1 ZINC001208176193 813727222 /nfs/dbraw/zinc/72/72/22/813727222.db2.gz CWLDWZKBTMVWSX-OAHLLOKOSA-N 1 1 257.381 3.211 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+](C)Cc2cnccn2)CC1 ZINC001208176193 813727226 /nfs/dbraw/zinc/72/72/26/813727226.db2.gz CWLDWZKBTMVWSX-OAHLLOKOSA-N 1 1 257.381 3.211 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@]3(CCN(C)C3)C2)CC1 ZINC001208178827 813730708 /nfs/dbraw/zinc/73/07/08/813730708.db2.gz XQXNSCQABRRWAN-MSOLQXFVSA-N 1 1 274.452 3.317 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)CC1 ZINC001208178827 813730712 /nfs/dbraw/zinc/73/07/12/813730712.db2.gz XQXNSCQABRRWAN-MSOLQXFVSA-N 1 1 274.452 3.317 20 30 CGEDMO CCC[N@@H+](CCC#N)C[C@@H](C)Cc1ccc2c(c1)OCO2 ZINC001208222913 813749860 /nfs/dbraw/zinc/74/98/60/813749860.db2.gz VQBHACBIERMVBK-AWEZNQCLSA-N 1 1 288.391 3.220 20 30 CGEDMO CCC[N@@H+](CCC#N)C[C@H](C)Cc1ccc2c(c1)OCO2 ZINC001208222914 813749903 /nfs/dbraw/zinc/74/99/03/813749903.db2.gz VQBHACBIERMVBK-CQSZACIVSA-N 1 1 288.391 3.220 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](CC2(c3ccccc3)CCOCC2)CC1 ZINC001208235293 813751884 /nfs/dbraw/zinc/75/18/84/813751884.db2.gz AXFBSHGMEPTRIV-QGZVFWFLSA-N 1 1 298.430 3.360 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCCCCF)C[C@H]1C ZINC001208295098 813752956 /nfs/dbraw/zinc/75/29/56/813752956.db2.gz YLFXHWFPIUURHD-HUUCEWRRSA-N 1 1 298.446 3.165 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](CCCCC)C[C@H]2C)CC1 ZINC001208494211 813763477 /nfs/dbraw/zinc/76/34/77/813763477.db2.gz LARKRQPTAYEZQU-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)CCC)C1 ZINC001208466242 813764069 /nfs/dbraw/zinc/76/40/69/813764069.db2.gz CDRGBWMCBDSCPM-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO N#C[C@@H]1CCCCN1C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001208587878 813768869 /nfs/dbraw/zinc/76/88/69/813768869.db2.gz BABNQGDQZKYHFH-OALUTQOASA-N 1 1 297.446 3.419 20 30 CGEDMO C=CCN(C)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001208589466 813769243 /nfs/dbraw/zinc/76/92/43/813769243.db2.gz VVDCKVOJOSJRFS-QGZVFWFLSA-N 1 1 258.409 3.159 20 30 CGEDMO C=CC[N@@H+](C)C[C@H]1CCCCN1Cc1ccccc1 ZINC001208589466 813769248 /nfs/dbraw/zinc/76/92/48/813769248.db2.gz VVDCKVOJOSJRFS-QGZVFWFLSA-N 1 1 258.409 3.159 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1Cc1ccccc1 ZINC001208589466 813769251 /nfs/dbraw/zinc/76/92/51/813769251.db2.gz VVDCKVOJOSJRFS-QGZVFWFLSA-N 1 1 258.409 3.159 20 30 CGEDMO C#CC1CCN(C[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC001208591136 813769488 /nfs/dbraw/zinc/76/94/88/813769488.db2.gz IDHCGVVHXLYFOS-HXUWFJFHSA-N 1 1 296.458 3.386 20 30 CGEDMO C#CC1CCN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC001208591136 813769492 /nfs/dbraw/zinc/76/94/92/813769492.db2.gz IDHCGVVHXLYFOS-HXUWFJFHSA-N 1 1 296.458 3.386 20 30 CGEDMO C[C@H]1C[N@@H+](CCCc2cccc(C#N)c2)C2(CC2)C1 ZINC001208854062 813866708 /nfs/dbraw/zinc/86/67/08/813866708.db2.gz IKLRIUQBZZCACX-CQSZACIVSA-N 1 1 254.377 3.365 20 30 CGEDMO N#Cc1cccc(CCC[N@@H+]2CCC[C@H](CF)C2)c1 ZINC001208853519 813867391 /nfs/dbraw/zinc/86/73/91/813867391.db2.gz PAAWQGPYDJVTFP-MRXNPFEDSA-N 1 1 260.356 3.172 20 30 CGEDMO N#Cc1ccc(CCC[N@@H+]2CCC[C@H](CF)C2)cc1 ZINC001208857452 813868471 /nfs/dbraw/zinc/86/84/71/813868471.db2.gz FICVEAMHAACHKE-MRXNPFEDSA-N 1 1 260.356 3.172 20 30 CGEDMO C[C@@H]1c2cccn2CC[N@@H+]1CCCc1ccc(C#N)cc1 ZINC001208863106 813870860 /nfs/dbraw/zinc/87/08/60/813870860.db2.gz WZFWNWIBAXKHFL-OAHLLOKOSA-N 1 1 279.387 3.369 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCc3ccc(C#N)cc3C2)cc1 ZINC001208925696 813901607 /nfs/dbraw/zinc/90/16/07/813901607.db2.gz NHCQCSHOZFLKTJ-UHFFFAOYSA-N 1 1 287.366 3.031 20 30 CGEDMO N#Cc1ccc(CC[N@@H+]2CCC[C@@H](C(F)F)C2)cc1 ZINC001208925977 813901948 /nfs/dbraw/zinc/90/19/48/813901948.db2.gz BFPBMALNXARPAN-CQSZACIVSA-N 1 1 264.319 3.078 20 30 CGEDMO C[N@@H+](CCC(=O)c1ccccc1)CCc1ccc(C#N)cc1 ZINC001208925970 813902018 /nfs/dbraw/zinc/90/20/18/813902018.db2.gz ARJMGXORNZHRTG-UHFFFAOYSA-N 1 1 292.382 3.306 20 30 CGEDMO CCCC[N@H+](CCC#N)CCCN(C)C(=O)OC(C)(C)C ZINC001209137660 813944938 /nfs/dbraw/zinc/94/49/38/813944938.db2.gz GVSXFCJFUGMYEK-UHFFFAOYSA-N 1 1 297.443 3.259 20 30 CGEDMO C=CCCCC[N@@H+]1C[C@H]2CCC[C@@]2(COCC)C1 ZINC001209199811 813963634 /nfs/dbraw/zinc/96/36/34/813963634.db2.gz BPBWUXHIEPJLSV-CVEARBPZSA-N 1 1 251.414 3.481 20 30 CGEDMO C=CCCCC[N@H+]1CC[C@H]2O[C@@H](COCC3CC3)CC[C@H]21 ZINC001209202403 813966826 /nfs/dbraw/zinc/96/68/26/813966826.db2.gz CNGFBAHVYRKVAS-KZNAEPCWSA-N 1 1 293.451 3.391 20 30 CGEDMO C=CCCCC[N@@H+]1CCc2ncc(Cl)cc2C1 ZINC001209207369 813967950 /nfs/dbraw/zinc/96/79/50/813967950.db2.gz WDHPYHMUZICVPV-UHFFFAOYSA-N 1 1 250.773 3.449 20 30 CGEDMO C=CCCCC[N@@H+]1CCOC[C@@H]1CCC(=O)OC(C)(C)C ZINC001209207727 813968003 /nfs/dbraw/zinc/96/80/03/813968003.db2.gz DBNVZPBWZGGZHK-HNNXBMFYSA-N 1 1 297.439 3.165 20 30 CGEDMO C#CCCC[N@H+]1CCC[C@]2(C[C@@H](c3ccccc3)CO2)C1 ZINC001209264133 813987802 /nfs/dbraw/zinc/98/78/02/813987802.db2.gz WKGMREHLISRAIS-MOPGFXCFSA-N 1 1 283.415 3.439 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001209268724 813989611 /nfs/dbraw/zinc/98/96/11/813989611.db2.gz PAGXQBOUIUKXJR-KRWDZBQOSA-N 1 1 294.439 3.027 20 30 CGEDMO C=CC1(CC(=O)N[C@@H]2C[N@@H+](CCC)C[C@H]2C)CCCCC1 ZINC001209361149 814003031 /nfs/dbraw/zinc/00/30/31/814003031.db2.gz MXZHELDPJPYPBH-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](C[C@@H]1C[C@H]1C)[C@H]2CC ZINC001209411107 814017293 /nfs/dbraw/zinc/01/72/93/814017293.db2.gz BDPYUNSKAWLKKR-CVYDXHPNSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCCCCCC[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC001209435766 814036933 /nfs/dbraw/zinc/03/69/33/814036933.db2.gz JFIJWQWJLAOISS-OAHLLOKOSA-N 1 1 262.401 3.052 20 30 CGEDMO C=CCCCCCC[N@@H+]1CC[C@@H](Oc2nccc(C)n2)C1 ZINC001209438189 814037468 /nfs/dbraw/zinc/03/74/68/814037468.db2.gz HMFFUSQFCDUYLG-MRXNPFEDSA-N 1 1 289.423 3.375 20 30 CGEDMO C=CCCCCCCC[N@H+](C)C1CCN(C(C)=O)CC1 ZINC001209439172 814038902 /nfs/dbraw/zinc/03/89/02/814038902.db2.gz JFXAMRZSXQHSNU-UHFFFAOYSA-N 1 1 280.456 3.456 20 30 CGEDMO C=CCCCCCCC[N@H+]1CCC[C@]2(CCNC2=O)C1 ZINC001209442079 814040241 /nfs/dbraw/zinc/04/02/41/814040241.db2.gz SNJZJDMECAMELE-KRWDZBQOSA-N 1 1 278.440 3.115 20 30 CGEDMO C=CCCCCCCC[N@H+]1CCC[C@H](n2cncn2)C1 ZINC001209441855 814040459 /nfs/dbraw/zinc/04/04/59/814040459.db2.gz LQOGMLLLCLGOFB-INIZCTEOSA-N 1 1 276.428 3.442 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CCN2CCC1CC2 ZINC001209441654 814041153 /nfs/dbraw/zinc/04/11/53/814041153.db2.gz JFGGLNYGNKRMPK-UHFFFAOYSA-N 1 1 250.430 3.293 20 30 CGEDMO C=CCCCCCCC[N@H+]1CCN2CCC1CC2 ZINC001209441654 814041160 /nfs/dbraw/zinc/04/11/60/814041160.db2.gz JFGGLNYGNKRMPK-UHFFFAOYSA-N 1 1 250.430 3.293 20 30 CGEDMO C=CCCCCCCC[N@H+]1CCS[C@@H](C(=O)OCC)C1 ZINC001209441267 814041672 /nfs/dbraw/zinc/04/16/72/814041672.db2.gz GLPSUALYYJZLBJ-OAHLLOKOSA-N 1 1 299.480 3.494 20 30 CGEDMO C=CCCCCCCCC[N@H+](C)CCN1CCOCC1 ZINC001209442948 814043756 /nfs/dbraw/zinc/04/37/56/814043756.db2.gz IPHAXJJPQKGSSY-UHFFFAOYSA-N 1 1 282.472 3.167 20 30 CGEDMO C=CCCCCCCCC[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC001209442639 814044098 /nfs/dbraw/zinc/04/40/98/814044098.db2.gz ALCHXIITICKQTK-SFHVURJKSA-N 1 1 294.483 3.310 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC001209442272 814044294 /nfs/dbraw/zinc/04/42/94/814044294.db2.gz DJFIVJWOUJSHSV-HNNXBMFYSA-N 1 1 266.429 3.100 20 30 CGEDMO Cc1ccc2[nH]cc(C[N@@H+]3CCC[C@H](C#N)C3)c2c1 ZINC001209495434 814062590 /nfs/dbraw/zinc/06/25/90/814062590.db2.gz UXLNBGMPUHKRMV-CYBMUJFWSA-N 1 1 253.349 3.212 20 30 CGEDMO Cc1ccc2[nH]cc(C[N@H+]3CCC[C@H](C#N)C3)c2c1 ZINC001209495434 814062594 /nfs/dbraw/zinc/06/25/94/814062594.db2.gz UXLNBGMPUHKRMV-CYBMUJFWSA-N 1 1 253.349 3.212 20 30 CGEDMO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CC[C@@H](C#N)C2)cc1 ZINC001209520481 814073446 /nfs/dbraw/zinc/07/34/46/814073446.db2.gz YKIPUTMZIUGJBB-KRWDZBQOSA-N 1 1 279.387 3.440 20 30 CGEDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CC[C@@H](C#N)C2)cc1 ZINC001209520481 814073451 /nfs/dbraw/zinc/07/34/51/814073451.db2.gz YKIPUTMZIUGJBB-KRWDZBQOSA-N 1 1 279.387 3.440 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@H](C)CC)C1 ZINC001209697996 814114970 /nfs/dbraw/zinc/11/49/70/814114970.db2.gz LZQFXALHXHFJFL-BZUAXINKSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cc2c(c(OC)c1)OCO2 ZINC001209716317 814117748 /nfs/dbraw/zinc/11/77/48/814117748.db2.gz GMVXSITWGUFOLI-UHFFFAOYSA-N 1 1 277.364 3.212 20 30 CGEDMO CO[C@H](C)c1cccc([NH+]=C(NO)c2ccccc2N)c1 ZINC001209951478 814210242 /nfs/dbraw/zinc/21/02/42/814210242.db2.gz DXVCRUHKPRXXFR-LLVKDONJSA-N 1 1 285.347 3.033 20 30 CGEDMO Cc1ccc(C[NH+]2CCOCC2)cc1-c1ccccc1C#N ZINC001242716996 823110801 /nfs/dbraw/zinc/11/08/01/823110801.db2.gz MWKHIRGVKMNHSM-UHFFFAOYSA-N 1 1 292.382 3.366 20 30 CGEDMO Cc1[nH+]ccn1Cc1ccc(Nc2cncc(C#N)c2)cc1 ZINC001210086307 814281643 /nfs/dbraw/zinc/28/16/43/814281643.db2.gz ZRBXYADCRNIZGA-UHFFFAOYSA-N 1 1 289.342 3.250 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)CC(C)C)C1 ZINC001210213600 814345106 /nfs/dbraw/zinc/34/51/06/814345106.db2.gz KZAGASZBJDZVSH-BZUAXINKSA-N 1 1 280.456 3.071 20 30 CGEDMO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)CCCCCC)C1 ZINC001210226696 814354134 /nfs/dbraw/zinc/35/41/34/814354134.db2.gz SXTUCFQZDLHOLC-GVDBMIGSSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](CC)C(C)C)C1 ZINC001210420369 814451398 /nfs/dbraw/zinc/45/13/98/814451398.db2.gz CVYKKORMNOYMLM-IXDOHACOSA-N 1 1 294.483 3.461 20 30 CGEDMO CCCCCCCCCC[N@@H+]1CCNC[C@@H]1COC ZINC001210519640 814505427 /nfs/dbraw/zinc/50/54/27/814505427.db2.gz QMOJWQJOUZHKNY-MRXNPFEDSA-N 1 1 270.461 3.047 20 30 CGEDMO CCCCCCCCCC[N@H+]1CCNC[C@@H]1COC ZINC001210519640 814505431 /nfs/dbraw/zinc/50/54/31/814505431.db2.gz QMOJWQJOUZHKNY-MRXNPFEDSA-N 1 1 270.461 3.047 20 30 CGEDMO COc1cc(Nc2ccc(C)cc2C#N)[nH+]cc1C ZINC001210565214 814530480 /nfs/dbraw/zinc/53/04/80/814530480.db2.gz YIOHTPOKEZZZAP-UHFFFAOYSA-N 1 1 253.305 3.322 20 30 CGEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)CCCCC)C1 ZINC001211218496 814854025 /nfs/dbraw/zinc/85/40/25/814854025.db2.gz XTYVOUSZHDJZBM-IXDOHACOSA-N 1 1 292.467 3.053 20 30 CGEDMO CCCCCCC[C@H](C)CNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC001221270659 816308531 /nfs/dbraw/zinc/30/85/31/816308531.db2.gz GWNXGPWVBZAUPM-JKSUJKDBSA-N 1 1 297.487 3.376 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)C(C)C)[C@@H]2C1 ZINC001221436063 816314470 /nfs/dbraw/zinc/31/44/70/816314470.db2.gz JGBVWLOVFCCIMW-GVDBMIGSSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C3(CC)CC3)[C@@H]2C1 ZINC001221793489 816327679 /nfs/dbraw/zinc/32/76/79/816327679.db2.gz DPPCUYNZYXRPPS-ARFHVFGLSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC(C)(C)CNC(=O)NC[C@H]1CCCC[N@@H+]1CCCC ZINC001221792131 816328540 /nfs/dbraw/zinc/32/85/40/816328540.db2.gz JSGGNLALVDAIFG-OAHLLOKOSA-N 1 1 295.471 3.152 20 30 CGEDMO N#Cc1ccc(CN2CCCC[C@@]3(CCCC[NH2+]C3)C2)cc1 ZINC001222160693 816366506 /nfs/dbraw/zinc/36/65/06/816366506.db2.gz HZEOWVOAHCYZOM-LJQANCHMSA-N 1 1 297.446 3.304 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)/C(C)=C/CC)C[C@@H]21 ZINC001222384010 816425910 /nfs/dbraw/zinc/42/59/10/816425910.db2.gz LDOLDTFLVHEUCK-HHHZRULFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]2CC[N@H+](CC/C=C/CC)[C@H]2C1 ZINC001222432794 816444025 /nfs/dbraw/zinc/44/40/25/816444025.db2.gz YZWDUPOLDYERSZ-PRPGUUAMSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(F)=C(C)C)C[C@@H]21 ZINC001222518092 816460741 /nfs/dbraw/zinc/46/07/41/816460741.db2.gz GKPGEJKTBYPKFZ-CABCVRRESA-N 1 1 294.414 3.139 20 30 CGEDMO CCCCCCCCCNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001223275013 816595232 /nfs/dbraw/zinc/59/52/32/816595232.db2.gz SUTAKIJBVGHTHJ-JKSUJKDBSA-N 1 1 295.471 3.083 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CC[C@H](OCc2ccsc2)C1 ZINC001223335780 816608097 /nfs/dbraw/zinc/60/80/97/816608097.db2.gz IRVVUZWZAVUJJG-KRWDZBQOSA-N 1 1 298.411 3.411 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CC[C@H](OCc2ccsc2)C1 ZINC001223335780 816608102 /nfs/dbraw/zinc/60/81/02/816608102.db2.gz IRVVUZWZAVUJJG-KRWDZBQOSA-N 1 1 298.411 3.411 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CC[C@@H](OCc2ccsc2)C1 ZINC001223335783 816608372 /nfs/dbraw/zinc/60/83/72/816608372.db2.gz IRVVUZWZAVUJJG-QGZVFWFLSA-N 1 1 298.411 3.411 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CC[C@@H](OCc2ccsc2)C1 ZINC001223335783 816608378 /nfs/dbraw/zinc/60/83/78/816608378.db2.gz IRVVUZWZAVUJJG-QGZVFWFLSA-N 1 1 298.411 3.411 20 30 CGEDMO CC(C)[NH+]1CC(OCc2ccc(C#N)c3ccccc23)C1 ZINC001224026084 816722774 /nfs/dbraw/zinc/72/27/74/816722774.db2.gz XALNONNDRUSCEK-UHFFFAOYSA-N 1 1 280.371 3.321 20 30 CGEDMO CCCCCCCCCOCC[N@H+]1CC[C@@H](OC)C1 ZINC001224392984 816792168 /nfs/dbraw/zinc/79/21/68/816792168.db2.gz RPGPYAGTSYSWTR-MRXNPFEDSA-N 1 1 271.445 3.474 20 30 CGEDMO C[Si](C)(C)C#CCO[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001224615025 816832924 /nfs/dbraw/zinc/83/29/24/816832924.db2.gz KMVJDVOJIWVTGD-KRWDZBQOSA-N 1 1 287.479 3.158 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OCC#CC1CC1 ZINC001224845043 816893220 /nfs/dbraw/zinc/89/32/20/816893220.db2.gz VDGKMSDTXYTQSQ-APWZRJJASA-N 1 1 283.415 3.327 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)CCC2(C)CC2)CC1 ZINC001225069182 816943509 /nfs/dbraw/zinc/94/35/09/816943509.db2.gz CXYYLPASNKKRRU-UHFFFAOYSA-N 1 1 298.858 3.147 20 30 CGEDMO Cc1c(C)c(O[C@H]2CCC[N@H+](C(C)C)C2)ccc1C#N ZINC001225512883 817080264 /nfs/dbraw/zinc/08/02/64/817080264.db2.gz FWIZUEHFTIVLBE-INIZCTEOSA-N 1 1 272.392 3.427 20 30 CGEDMO C[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2Cl)CC1 ZINC001225726717 817158545 /nfs/dbraw/zinc/15/85/45/817158545.db2.gz HIKWEYAUCBVWAT-LBPRGKRZSA-N 1 1 264.756 3.075 20 30 CGEDMO C[N@H+]1CCC[C@H](Oc2ccc(Cl)cc2C#N)CC1 ZINC001227205043 817590685 /nfs/dbraw/zinc/59/06/85/817590685.db2.gz BMYUELJRRLHVKY-ZDUSSCGKSA-N 1 1 264.756 3.075 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](Oc2ccc(Cl)cc2C#N)C1 ZINC001227205718 817592331 /nfs/dbraw/zinc/59/23/31/817592331.db2.gz QPQOZBZPQMRHRA-CYBMUJFWSA-N 1 1 264.756 3.073 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](Oc2cccc(Cl)c2C#N)C1 ZINC001227789117 817721417 /nfs/dbraw/zinc/72/14/17/817721417.db2.gz KGZWUZIZMKAUCR-NSHDSACASA-N 1 1 264.756 3.073 20 30 CGEDMO C=CCCCN(CC)C(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC001228432190 817904306 /nfs/dbraw/zinc/90/43/06/817904306.db2.gz JLTHKKYQEUAMBB-MRXNPFEDSA-N 1 1 295.471 3.249 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)c1ccccc1C ZINC001231379210 818087497 /nfs/dbraw/zinc/08/74/97/818087497.db2.gz NDFZKPPNUWVDTH-INIZCTEOSA-N 1 1 288.435 3.401 20 30 CGEDMO O[C@@H]1CCC[N@@H+](Cc2ccccc2C#Cc2ccccc2)C1 ZINC001231579319 818127827 /nfs/dbraw/zinc/12/78/27/818127827.db2.gz XKPPZCIBEWASMU-HXUWFJFHSA-N 1 1 291.394 3.043 20 30 CGEDMO CC[N@@H+](Cc1ccccc1O)Cc1ccc(C#N)cc1OC ZINC001231620651 818138597 /nfs/dbraw/zinc/13/85/97/818138597.db2.gz HXFCOMAQKXVMLH-UHFFFAOYSA-N 1 1 296.370 3.295 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CCC[C@@H](Oc3cccnc3)C2)c1 ZINC001231659998 818151731 /nfs/dbraw/zinc/15/17/31/818151731.db2.gz YTQGCDQZABZPKA-LJQANCHMSA-N 1 1 292.382 3.106 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(OC(C)C)c(Br)c1 ZINC001231726342 818160149 /nfs/dbraw/zinc/16/01/49/818160149.db2.gz WRUNDQCZTJWFGM-UHFFFAOYSA-N 1 1 296.208 3.301 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2ccc(O)c3ncccc23)C1 ZINC001232276258 818301711 /nfs/dbraw/zinc/30/17/11/818301711.db2.gz PYWIPORPXKUFMX-CYBMUJFWSA-N 1 1 281.359 3.066 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(N)nc1C ZINC001232340223 818318598 /nfs/dbraw/zinc/31/85/98/818318598.db2.gz AXJNTEKPGVJDPB-UHFFFAOYSA-N 1 1 267.376 3.160 20 30 CGEDMO C#CC1CC[NH+](Cc2cc(OC)c(Cl)cc2OC)CC1 ZINC001232376457 818329748 /nfs/dbraw/zinc/32/97/48/818329748.db2.gz XQNGFXCSOLMYAL-UHFFFAOYSA-N 1 1 293.794 3.202 20 30 CGEDMO COc1ccc(OC(C)C)c(C[NH+]2CCC(C#N)CC2)c1 ZINC001232387820 818332299 /nfs/dbraw/zinc/33/22/99/818332299.db2.gz SLKMOHHOKAQGNB-UHFFFAOYSA-N 1 1 288.391 3.218 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2c[nH]c3nccc(Cl)c23)C1 ZINC001232463465 818356781 /nfs/dbraw/zinc/35/67/81/818356781.db2.gz KVGKERZMHMHMPH-NSHDSACASA-N 1 1 273.767 3.062 20 30 CGEDMO C[N@@H+](CCc1ccccc1F)Cc1cc(C#N)ccc1[O-] ZINC001232677340 818416788 /nfs/dbraw/zinc/41/67/88/818416788.db2.gz BAGHIGPDHMRHKT-UHFFFAOYSA-N 1 1 284.334 3.077 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc3ncsc3c2)C1 ZINC001232743426 818430016 /nfs/dbraw/zinc/43/00/16/818430016.db2.gz UUXVQDIXOJRPNW-LBPRGKRZSA-N 1 1 256.374 3.142 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3ccccn3)C2)s1 ZINC001232844088 818454923 /nfs/dbraw/zinc/45/49/23/818454923.db2.gz OBFABOKSSILVMU-ZDUSSCGKSA-N 1 1 283.400 3.394 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@H]2Cc2ccccn2)c(C#N)c1 ZINC001232966744 818485461 /nfs/dbraw/zinc/48/54/61/818485461.db2.gz UEHMMDNMQRYANW-IBGZPJMESA-N 1 1 291.398 3.469 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@@H](COCC3CC3)C2)c(C#N)c1 ZINC001232967615 818486098 /nfs/dbraw/zinc/48/60/98/818486098.db2.gz SERMBSODAUVZIY-MRXNPFEDSA-N 1 1 284.403 3.115 20 30 CGEDMO C[N@H+](CCc1ccccc1Cl)Cc1[nH]ccc1C#N ZINC001233047047 818507836 /nfs/dbraw/zinc/50/78/36/818507836.db2.gz NLYVLUJOVGSOAO-UHFFFAOYSA-N 1 1 273.767 3.214 20 30 CGEDMO C[N@@H+](CCc1ccccc1Cl)Cc1[nH]ccc1C#N ZINC001233047047 818507841 /nfs/dbraw/zinc/50/78/41/818507841.db2.gz NLYVLUJOVGSOAO-UHFFFAOYSA-N 1 1 273.767 3.214 20 30 CGEDMO COc1cccc(C2CC[NH+](Cc3[nH]ccc3C#N)CC2)c1 ZINC001233048906 818510041 /nfs/dbraw/zinc/51/00/41/818510041.db2.gz RAUWOGQRXNWIPG-UHFFFAOYSA-N 1 1 295.386 3.275 20 30 CGEDMO N#Cc1cc[nH]c1C[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC001233047591 818510917 /nfs/dbraw/zinc/51/09/17/818510917.db2.gz DKGMRZAMBIRUNJ-HNNXBMFYSA-N 1 1 297.377 3.480 20 30 CGEDMO N#Cc1cc[nH]c1C[N@@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC001233047591 818510924 /nfs/dbraw/zinc/51/09/24/818510924.db2.gz DKGMRZAMBIRUNJ-HNNXBMFYSA-N 1 1 297.377 3.480 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H](C(F)F)C1 ZINC001233082535 818520880 /nfs/dbraw/zinc/52/08/80/818520880.db2.gz FNVZXOULFODERW-AWEZNQCLSA-N 1 1 264.319 3.344 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)c(C#N)c2F)[C@H](C)C1 ZINC001233100913 818521903 /nfs/dbraw/zinc/52/19/03/818521903.db2.gz NTTVLFYRGUWNOH-CHWSQXEVSA-N 1 1 289.398 3.384 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)CCCNC(=O)CCC(C)C ZINC001233706516 818686705 /nfs/dbraw/zinc/68/67/05/818686705.db2.gz ZAPYRXAWMBJBST-OAHLLOKOSA-N 1 1 268.445 3.215 20 30 CGEDMO C[N@H+]1CCC[C@H](Oc2cc(C(F)(F)F)ccc2C#N)CC1 ZINC001233732887 818693513 /nfs/dbraw/zinc/69/35/13/818693513.db2.gz UFQVEWPDBYVYDV-ZDUSSCGKSA-N 1 1 298.308 3.440 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)[C@@H]1CC=CCC1 ZINC001233834840 818714766 /nfs/dbraw/zinc/71/47/66/818714766.db2.gz DDGZILKMSWJRPC-HZPDHXFCSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)CC1(C)CCCC1 ZINC001234079333 818774118 /nfs/dbraw/zinc/77/41/18/818774118.db2.gz WDRAJSWPDFFUFG-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(C)CC1 ZINC001234455460 818858781 /nfs/dbraw/zinc/85/87/81/818858781.db2.gz MDESSVAYQLFJLQ-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC(CC=C)C(=O)N(C)C[C@H]1CC[N@H+]1C[C@H](F)CC ZINC001234517224 818872424 /nfs/dbraw/zinc/87/24/24/818872424.db2.gz JTDIQKVJFLKQHJ-HZPDHXFCSA-N 1 1 296.430 3.036 20 30 CGEDMO C=CCC(CC=C)C(=O)N(C)C[C@H]1CC[N@@H+]1C[C@H](F)CC ZINC001234517224 818872430 /nfs/dbraw/zinc/87/24/30/818872430.db2.gz JTDIQKVJFLKQHJ-HZPDHXFCSA-N 1 1 296.430 3.036 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC[C@H](C)CCC ZINC001234547415 818880511 /nfs/dbraw/zinc/88/05/11/818880511.db2.gz RSVDERCXTDYWBJ-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)CCC[C@@H](C)CCC ZINC001234546557 818880833 /nfs/dbraw/zinc/88/08/33/818880833.db2.gz LXYNJOODIPGHKB-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC[C@@H](C)CCC ZINC001234546557 818880839 /nfs/dbraw/zinc/88/08/39/818880839.db2.gz LXYNJOODIPGHKB-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC(C)(C)CC(=O)N(C)C[C@H]1CC[N@@H+]1CC1CC(C)C1 ZINC001234554477 818881520 /nfs/dbraw/zinc/88/15/20/818881520.db2.gz JXIHPYIZYUSAGE-UYSNPLJNSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CCNCC12CC2 ZINC001234974856 818968032 /nfs/dbraw/zinc/96/80/32/818968032.db2.gz LYIAJPNUDPSKOC-UHFFFAOYSA-N 1 1 250.430 3.341 20 30 CGEDMO C=CCCCCCCCC[N@H+]1CCNCC12CC2 ZINC001234974856 818968039 /nfs/dbraw/zinc/96/80/39/818968039.db2.gz LYIAJPNUDPSKOC-UHFFFAOYSA-N 1 1 250.430 3.341 20 30 CGEDMO CCCCCCCCN1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001235005730 818977082 /nfs/dbraw/zinc/97/70/82/818977082.db2.gz GQIDGIVFTUQLGT-KRWDZBQOSA-N 1 1 282.472 3.049 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001235090690 818998175 /nfs/dbraw/zinc/99/81/75/818998175.db2.gz SGQTXSNOKPCKRD-AWEZNQCLSA-N 1 1 274.399 3.278 20 30 CGEDMO CCCCCCC[N@@H+]1CC[C@@]2(C1)CNCCC2(F)F ZINC001235090690 818998180 /nfs/dbraw/zinc/99/81/80/818998180.db2.gz SGQTXSNOKPCKRD-AWEZNQCLSA-N 1 1 274.399 3.278 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@]2(C1)CNCCC2(F)F ZINC001235090690 818998188 /nfs/dbraw/zinc/99/81/88/818998188.db2.gz SGQTXSNOKPCKRD-AWEZNQCLSA-N 1 1 274.399 3.278 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](Cc2cccc(N3CCCC3)c2)C1 ZINC001235098403 819001712 /nfs/dbraw/zinc/00/17/12/819001712.db2.gz JZAVVKDVXZFORH-KRWDZBQOSA-N 1 1 269.392 3.022 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](Cc2cccc(N3CCCC3)c2)C1 ZINC001235098403 819001716 /nfs/dbraw/zinc/00/17/16/819001716.db2.gz JZAVVKDVXZFORH-KRWDZBQOSA-N 1 1 269.392 3.022 20 30 CGEDMO C=CCCCCCCCC[N@H+]1CCC[C@@]2(CNCCO2)C1 ZINC001235113904 819009262 /nfs/dbraw/zinc/00/92/62/819009262.db2.gz HSYMLDYPSMUPRS-GOSISDBHSA-N 1 1 294.483 3.358 20 30 CGEDMO C=CCCCCCN1CCCC[C@]12CCC[NH2+]C2 ZINC001235174534 819024446 /nfs/dbraw/zinc/02/44/46/819024446.db2.gz UCRXYTLDGZOZDC-MRXNPFEDSA-N 1 1 250.430 3.341 20 30 CGEDMO Cc1cc(OC(C)C)ncc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001235427252 819094740 /nfs/dbraw/zinc/09/47/40/819094740.db2.gz CPUHHPZBBVMMRS-HNNXBMFYSA-N 1 1 287.407 3.303 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cnc(OC(C)C)cc1C ZINC001235427283 819095096 /nfs/dbraw/zinc/09/50/96/819095096.db2.gz DRYIEVBTNPLDMA-UHFFFAOYSA-N 1 1 260.381 3.351 20 30 CGEDMO C=CCCC(=O)NCCC[N@H+](C)C/C=C\c1ccccc1 ZINC001235479361 819107803 /nfs/dbraw/zinc/10/78/03/819107803.db2.gz AUTOBMQCSQMPSE-WQLSENKSSA-N 1 1 286.419 3.104 20 30 CGEDMO COc1cccc(C[N@@H+](C)Cc2ccccc2CC#N)c1 ZINC001235516267 819113981 /nfs/dbraw/zinc/11/39/81/819113981.db2.gz FWWYMOHPTVCTQN-UHFFFAOYSA-N 1 1 280.371 3.393 20 30 CGEDMO CC(C)[N@@H+](Cc1ccccc1CC#N)C1CCOCC1 ZINC001235528591 819116444 /nfs/dbraw/zinc/11/64/44/819116444.db2.gz RQNDNTXYWARBOL-UHFFFAOYSA-N 1 1 272.392 3.142 20 30 CGEDMO C=CCCC[N@H+](C)CCCNC(=O)C[C@H](C)C(C)C ZINC001235543231 819119122 /nfs/dbraw/zinc/11/91/22/819119122.db2.gz BEJVFEZXHZOFTG-HNNXBMFYSA-N 1 1 268.445 3.073 20 30 CGEDMO C[N@H+](CCC#N)Cc1ccccc1-c1ccncc1 ZINC001235606819 819125183 /nfs/dbraw/zinc/12/51/83/819125183.db2.gz BJCAKXMWLAJJSO-UHFFFAOYSA-N 1 1 251.333 3.094 20 30 CGEDMO C[N@@H+](CCC#N)Cc1ccccc1-c1ccncc1 ZINC001235606819 819125186 /nfs/dbraw/zinc/12/51/86/819125186.db2.gz BJCAKXMWLAJJSO-UHFFFAOYSA-N 1 1 251.333 3.094 20 30 CGEDMO C[N@H+](Cc1c(F)cc(C#N)cc1F)CC(C)(C)C ZINC001235656344 819130862 /nfs/dbraw/zinc/13/08/62/819130862.db2.gz CPWTXFFJTVMGCM-UHFFFAOYSA-N 1 1 252.308 3.314 20 30 CGEDMO C[N@@H+](Cc1c(F)cc(C#N)cc1F)CC(C)(C)C ZINC001235656344 819130864 /nfs/dbraw/zinc/13/08/64/819130864.db2.gz CPWTXFFJTVMGCM-UHFFFAOYSA-N 1 1 252.308 3.314 20 30 CGEDMO C#CC[NH+](CC#C)Cc1c(C)cc(Br)cc1C ZINC001235787584 819167602 /nfs/dbraw/zinc/16/76/02/819167602.db2.gz DRMBHJYJVLRARV-UHFFFAOYSA-N 1 1 290.204 3.134 20 30 CGEDMO C=CCCCCC[N@H+]1CCNC[C@@H]1Cc1ccccc1 ZINC001235847696 819184854 /nfs/dbraw/zinc/18/48/54/819184854.db2.gz LPIJZKXZKSDEQR-SFHVURJKSA-N 1 1 272.436 3.249 20 30 CGEDMO C=CCCCCCN1CC[NH2+]C[C@@H]1Cc1ccccc1 ZINC001235847696 819184856 /nfs/dbraw/zinc/18/48/56/819184856.db2.gz LPIJZKXZKSDEQR-SFHVURJKSA-N 1 1 272.436 3.249 20 30 CGEDMO C=CCCCCC[N@@H+]1CCNC[C@H]1c1cccs1 ZINC001236113201 819326780 /nfs/dbraw/zinc/32/67/80/819326780.db2.gz HHPULMCDRMEONI-AWEZNQCLSA-N 1 1 264.438 3.441 20 30 CGEDMO C=CCCCCC[N@H+]1CCNC[C@H]1c1cccs1 ZINC001236113201 819326784 /nfs/dbraw/zinc/32/67/84/819326784.db2.gz HHPULMCDRMEONI-AWEZNQCLSA-N 1 1 264.438 3.441 20 30 CGEDMO C=CC[N@H+](C[C@@H]1[C@@H](C)CNCC1(F)F)C1CCCCC1 ZINC001236434749 819478143 /nfs/dbraw/zinc/47/81/43/819478143.db2.gz WMJSZXQFOYFJMX-DZGCQCFKSA-N 1 1 286.410 3.298 20 30 CGEDMO COc1cc(O)c(C[N@H+]2CCC[C@H](C#N)CC2)c(Cl)c1 ZINC001236803924 819602064 /nfs/dbraw/zinc/60/20/64/819602064.db2.gz QEVVWAUFXMUAML-NSHDSACASA-N 1 1 294.782 3.180 20 30 CGEDMO Cc1c(F)c(F)ccc1C[NH+]1CCC(C#N)CC1 ZINC001237156766 819682934 /nfs/dbraw/zinc/68/29/34/819682934.db2.gz WXZNLJGBOBHYPT-UHFFFAOYSA-N 1 1 250.292 3.009 20 30 CGEDMO CC(C)O[C@H]1CC[N@@H+](Cc2cn(C)c3ccc(C#N)cc23)C1 ZINC001237473412 819758773 /nfs/dbraw/zinc/75/87/73/819758773.db2.gz IRAATLHYFMALAF-INIZCTEOSA-N 1 1 297.402 3.049 20 30 CGEDMO CC[N@@H+](Cc1cn(C)c2ccc(C#N)cc12)C1CCOCC1 ZINC001237471406 819758817 /nfs/dbraw/zinc/75/88/17/819758817.db2.gz UNBNFFKIAXGKOI-UHFFFAOYSA-N 1 1 297.402 3.051 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@H](F)CC2)c(F)cc1F ZINC001237524753 819770379 /nfs/dbraw/zinc/77/03/79/819770379.db2.gz MFBMSQREVJYSQC-LBPRGKRZSA-N 1 1 268.282 3.160 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@H](F)CC2)c(F)cc1F ZINC001237524753 819770382 /nfs/dbraw/zinc/77/03/82/819770382.db2.gz MFBMSQREVJYSQC-LBPRGKRZSA-N 1 1 268.282 3.160 20 30 CGEDMO N#Cc1cc(C[N@@H+](CC2CC2)C2CC2)c(F)cc1F ZINC001237536514 819774370 /nfs/dbraw/zinc/77/43/70/819774370.db2.gz MGXXHITWJSORNK-UHFFFAOYSA-N 1 1 262.303 3.211 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(OCC)cc2F)C1 ZINC001237635542 819793293 /nfs/dbraw/zinc/79/32/93/819793293.db2.gz SRUBHPCLGCONGJ-CYBMUJFWSA-N 1 1 261.340 3.070 20 30 CGEDMO CC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238190512 819950715 /nfs/dbraw/zinc/95/07/15/819950715.db2.gz DDSBNBYQACHNNI-CYBMUJFWSA-N 1 1 276.767 3.013 20 30 CGEDMO CC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238190512 819950721 /nfs/dbraw/zinc/95/07/21/819950721.db2.gz DDSBNBYQACHNNI-CYBMUJFWSA-N 1 1 276.767 3.013 20 30 CGEDMO C[N@@H+](Cc1ccc(Cl)c(C#N)c1)C1CC(F)(F)C1 ZINC001238197694 819954831 /nfs/dbraw/zinc/95/48/31/819954831.db2.gz XOXYJICEOQCXPN-UHFFFAOYSA-N 1 1 270.710 3.441 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(OC(C)C)cc2F)C1 ZINC001238450504 820002229 /nfs/dbraw/zinc/00/22/29/820002229.db2.gz VCVFXRLIDMKHEV-AWEZNQCLSA-N 1 1 275.367 3.458 20 30 CGEDMO CCc1cc(C[N@H+]2CC[C@H](OC(C)C)C2)ccc1C#N ZINC001238770028 820112800 /nfs/dbraw/zinc/11/28/00/820112800.db2.gz WXDZDOPHAMPTNP-KRWDZBQOSA-N 1 1 272.392 3.120 20 30 CGEDMO C[N@H+]1CCc2ccc(-c3ccccc3OCC#N)cc2C1 ZINC001243587777 823457702 /nfs/dbraw/zinc/45/77/02/823457702.db2.gz CSCRZQWFZXCUCT-UHFFFAOYSA-N 1 1 278.355 3.244 20 30 CGEDMO C=C/C(=N\COC)C1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001241502142 821904798 /nfs/dbraw/zinc/90/47/98/821904798.db2.gz ASAFAOXMAAXLQS-ISLYRVAYSA-N 1 1 270.376 3.050 20 30 CGEDMO C#Cc1cccc(-c2cc(C[NH+]3CCOCC3)ccc2C)c1 ZINC001241921204 822219394 /nfs/dbraw/zinc/21/93/94/822219394.db2.gz HCVLLZXSDGNGEU-UHFFFAOYSA-N 1 1 291.394 3.476 20 30 CGEDMO N#Cc1c(F)cccc1-c1ccccc1C[NH+]1CCOCC1 ZINC001241990777 822259308 /nfs/dbraw/zinc/25/93/08/822259308.db2.gz YIOMSVJGZJWODC-UHFFFAOYSA-N 1 1 296.345 3.197 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2ncc[nH]2)cc1 ZINC001242020535 822284059 /nfs/dbraw/zinc/28/40/59/822284059.db2.gz ZEBOCIAPVNSKGY-OAHLLOKOSA-N 1 1 253.349 3.400 20 30 CGEDMO Cc1cc(N)[nH+]cc1-c1ccc(C(C)(C)C#N)cc1 ZINC001242089141 822343543 /nfs/dbraw/zinc/34/35/43/822343543.db2.gz ACWXQEPRWCPHIL-UHFFFAOYSA-N 1 1 251.333 3.440 20 30 CGEDMO C#CC[NH2+]CC(=O)Nc1cc(Cl)ccc1SC(C)C ZINC001341430069 936437406 /nfs/dbraw/zinc/43/74/06/936437406.db2.gz IXDCHFWNMZCFKK-UHFFFAOYSA-N 1 1 296.823 3.002 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cnc3ccc(C)cc3c2)C1 ZINC001345030094 936797954 /nfs/dbraw/zinc/79/79/54/936797954.db2.gz NCLLPBKQSIGEFW-KRWDZBQOSA-N 1 1 282.387 3.320 20 30 CGEDMO C[NH+](C)[C@H]1CCCC[C@@H]1NCc1ccc(C2(C#N)CC2)cc1 ZINC001347355389 936881123 /nfs/dbraw/zinc/88/11/23/936881123.db2.gz CVJIXKQBBMPXLO-ROUUACIJSA-N 1 1 297.446 3.204 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2cc3ccncc3s2)C1 ZINC001347390882 936882469 /nfs/dbraw/zinc/88/24/69/936882469.db2.gz HLTUAQSHZQVSSJ-CYBMUJFWSA-N 1 1 274.389 3.073 20 30 CGEDMO CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)C(C)(C)C ZINC001347850760 936899172 /nfs/dbraw/zinc/89/91/72/936899172.db2.gz ODYYSCUYTUNVJE-UHFFFAOYSA-N 1 1 293.436 3.296 20 30 CGEDMO C=C[C@@H](C(=O)NC[C@H]1CC[N@H+]1C1CCCC1)c1ccccc1 ZINC001347861951 936899748 /nfs/dbraw/zinc/89/97/48/936899748.db2.gz SVXFSVJBLJFKFC-QZTJIDSGSA-N 1 1 298.430 3.089 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1CCC[N@@H+](CCCCCF)C1 ZINC001479909816 936922860 /nfs/dbraw/zinc/92/28/60/936922860.db2.gz RLUVUGQFUVMFSN-RDJZCZTQSA-N 1 1 298.446 3.309 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](CCO[C@H](CC)c2ccccc2)C1 ZINC001349499695 936950753 /nfs/dbraw/zinc/95/07/53/936950753.db2.gz YUDGQXGYKAWUCH-ZWKOTPCHSA-N 1 1 289.419 3.431 20 30 CGEDMO C=C(CC)C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC001351188897 937010980 /nfs/dbraw/zinc/01/09/80/937010980.db2.gz XVHHWZMYHCFMCY-UHFFFAOYSA-N 1 1 274.408 3.109 20 30 CGEDMO C[N@@H+](Cc1cc2ccccc2[nH]1)CC1(CC#N)CC1 ZINC001352888950 937052327 /nfs/dbraw/zinc/05/23/27/937052327.db2.gz SXRKZSCFMYLOND-UHFFFAOYSA-N 1 1 253.349 3.294 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[NH2+]C/C(Cl)=C\Cl ZINC001480516672 937068652 /nfs/dbraw/zinc/06/86/52/937068652.db2.gz WJOITRSBUTZWRT-VUUNSECVSA-N 1 1 293.238 3.002 20 30 CGEDMO C=C(C)C[N@H+](C)CCNC(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001480921030 926795234 /nfs/dbraw/zinc/79/52/34/926795234.db2.gz FMRXHWSQYIFOKB-YOEHRIQHSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CC[N@H+](C[C@H](C)CC(C)C)C1 ZINC001481083464 926882148 /nfs/dbraw/zinc/88/21/48/926882148.db2.gz NETKWFKRZVLUIT-HZPDHXFCSA-N 1 1 280.456 3.073 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](CNC(=O)C2(C)CC2)C1 ZINC001481094569 926883666 /nfs/dbraw/zinc/88/36/66/926883666.db2.gz XSNHPZGXXGRATF-HNNXBMFYSA-N 1 1 280.456 3.195 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)C(C)(C)C(=C)C)C1 ZINC001481446337 926988011 /nfs/dbraw/zinc/98/80/11/926988011.db2.gz LKOOZLDZYVPJNF-MRXNPFEDSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC(C[N@@H+](C)CCCF)CC1 ZINC001481518057 927011941 /nfs/dbraw/zinc/01/19/41/927011941.db2.gz FULUBLZZTCDOCA-QGZVFWFLSA-N 1 1 298.446 3.119 20 30 CGEDMO C=CCCCC(=O)N1CCC(C[N@H+](C)CC(=C)Cl)CC1 ZINC001481517856 927012170 /nfs/dbraw/zinc/01/21/70/927012170.db2.gz AAGFZXXIQDUYQP-UHFFFAOYSA-N 1 1 298.858 3.266 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2ccccc2)C1 ZINC001481523231 927013225 /nfs/dbraw/zinc/01/32/25/927013225.db2.gz ZXTWSDWRTXQQHP-DOTOQJQBSA-N 1 1 286.419 3.236 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CCC[N@H+](CCCCC)C1 ZINC001481537038 927020593 /nfs/dbraw/zinc/02/05/93/927020593.db2.gz XYKKZYKEJVGDDN-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO COC(=[NH2+])c1cccc(N[C@H]2CC[C@H](C#N)CC2)c1 ZINC001167845705 927032420 /nfs/dbraw/zinc/03/24/20/927032420.db2.gz OOVZLPIMBSNYTN-AULYBMBSSA-N 1 1 257.337 3.153 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)CCC ZINC001481677053 927055018 /nfs/dbraw/zinc/05/50/18/927055018.db2.gz VOAYIJQFDVUBHR-PMPSAXMXSA-N 1 1 292.467 3.453 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@](C)(F)CCCC)C1 ZINC001481703217 927065253 /nfs/dbraw/zinc/06/52/53/927065253.db2.gz TZMWLAKCHREOIH-GDBMZVCRSA-N 1 1 284.419 3.062 20 30 CGEDMO C=CCCC(=O)N(C)[C@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001481722560 927075925 /nfs/dbraw/zinc/07/59/25/927075925.db2.gz WZTKOEUMGYNEAS-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C)o2)C1 ZINC001481756819 927081609 /nfs/dbraw/zinc/08/16/09/927081609.db2.gz OAZWHZBGZPFNHX-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CC(C)(C)CC(=O)N(CC)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001481768147 927084982 /nfs/dbraw/zinc/08/49/82/927084982.db2.gz FYDOMXXVBPOFON-OAHLLOKOSA-N 1 1 280.456 3.168 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)C[C@H](C)CC(C)C)C1 ZINC001481778438 927085374 /nfs/dbraw/zinc/08/53/74/927085374.db2.gz MTYBFNBPVJZNCE-SJORKVTESA-N 1 1 292.467 3.005 20 30 CGEDMO CC[N@H+]1CC[C@@H](Oc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC001226140166 927214596 /nfs/dbraw/zinc/21/45/96/927214596.db2.gz HSDAQROEAUQSON-GFCCVEGCSA-N 1 1 284.281 3.050 20 30 CGEDMO CC#CC[N@H+](C)CCC1CCN(C(=O)CCCCC)CC1 ZINC001482497810 927269511 /nfs/dbraw/zinc/26/95/11/927269511.db2.gz CFVJSLNUEYZSAN-UHFFFAOYSA-N 1 1 292.467 3.151 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)C[C@H]1C=CCC1 ZINC001482579032 927302106 /nfs/dbraw/zinc/30/21/06/927302106.db2.gz PKFOIAQVYXGGHA-HOTGVXAUSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)C1CCC=CCC1 ZINC001483703168 927579710 /nfs/dbraw/zinc/57/97/10/927579710.db2.gz VKHIWCLIVAUHJC-DOTOQJQBSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)/C(C)=C/C)C2)C1 ZINC001483828927 927632109 /nfs/dbraw/zinc/63/21/09/927632109.db2.gz DATGHPFLYWRPRC-VIHDGPTJSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)C[C@@H](CC)C(C)C)C1 ZINC001484067328 927670172 /nfs/dbraw/zinc/67/01/72/927670172.db2.gz IVUUCCTZHAIQQB-NVXWUHKLSA-N 1 1 280.456 3.215 20 30 CGEDMO CC#CC[N@@H+]1CC[C@](C)(NC(=O)[C@H](CCCC)C(C)C)C1 ZINC001484075178 927672138 /nfs/dbraw/zinc/67/21/38/927672138.db2.gz VYAGCTLWCZDVCT-AEFFLSMTSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@](C)(CNC(=O)c2ccco2)C1 ZINC001484149424 927685043 /nfs/dbraw/zinc/68/50/43/927685043.db2.gz BBIOOGRRAPSKBK-QGZVFWFLSA-N 1 1 290.407 3.078 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)[C@]2(C)C=CCC2)C1 ZINC001484166565 927687822 /nfs/dbraw/zinc/68/78/22/927687822.db2.gz JSZPMIHGILETMD-QZTJIDSGSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC001484388631 927699719 /nfs/dbraw/zinc/69/97/19/927699719.db2.gz FMEFLILXOFIDNE-MUJYYYPQSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)CCC(=C)C)[C@@H]2C1 ZINC001484470401 927708829 /nfs/dbraw/zinc/70/88/29/927708829.db2.gz CKQUGPZNBBINLM-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21 ZINC001484468311 927709215 /nfs/dbraw/zinc/70/92/15/927709215.db2.gz CTPOURWHTDTFBQ-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[C@H](C)C1 ZINC001484753850 927755254 /nfs/dbraw/zinc/75/52/54/927755254.db2.gz AXPDICHADRZCGN-JKSUJKDBSA-N 1 1 280.456 3.169 20 30 CGEDMO C#CCCCCC(=O)NCc1ccc2c(c1)C[N@@H+](C(C)C)C2 ZINC001484873022 927764289 /nfs/dbraw/zinc/76/42/89/927764289.db2.gz HPASPPKNGHOYHJ-UHFFFAOYSA-N 1 1 298.430 3.220 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)CCCCCC)C(C)(C)C1 ZINC001484940575 927773039 /nfs/dbraw/zinc/77/30/39/927773039.db2.gz FZWQEBLTUHISCN-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)CC(C)C)C[C@@H]1C ZINC001484983765 927781849 /nfs/dbraw/zinc/78/18/49/927781849.db2.gz XOIQZYBYMYQRJI-JKSUJKDBSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)/C(C)=C/CC ZINC001485051987 927794435 /nfs/dbraw/zinc/79/44/35/927794435.db2.gz SMTVXQHXTUKCQH-AAGJOFLKSA-N 1 1 278.440 3.232 20 30 CGEDMO CCCCC[N@@H+](C)C1CCN(C(=O)C#CC(C)(C)C)CC1 ZINC001485756218 927912310 /nfs/dbraw/zinc/91/23/10/927912310.db2.gz CZZGJUOEFUJNOP-UHFFFAOYSA-N 1 1 292.467 3.149 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000184094726 927929343 /nfs/dbraw/zinc/92/93/43/927929343.db2.gz KVWNKCSBEBRNMS-CQSZACIVSA-N 1 1 277.387 3.454 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C(C)C)[C@H]1C ZINC001486173928 927991965 /nfs/dbraw/zinc/99/19/65/927991965.db2.gz OLXYWUVEGYLRPR-HUUCEWRRSA-N 1 1 280.456 3.214 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)CCCCC(C)C)[C@@H]1C ZINC001486184434 927996508 /nfs/dbraw/zinc/99/65/08/927996508.db2.gz UPRLKJRFUSDBNX-DLBZAZTESA-N 1 1 292.467 3.195 20 30 CGEDMO C#CCCCCCC[N@@H+]1C[C@@H](CC)N(C(C)=O)C[C@@H]1CC ZINC001559580625 937210396 /nfs/dbraw/zinc/21/03/96/937210396.db2.gz MKZBZHNFCKVNPI-ZWKOTPCHSA-N 1 1 292.467 3.291 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)c1cscc1C)C(C)C ZINC001486366829 928008337 /nfs/dbraw/zinc/00/83/37/928008337.db2.gz ISMARDKBGRMHTG-UHFFFAOYSA-N 1 1 294.464 3.415 20 30 CGEDMO C#CC[N@H+](C)CCN(C(=O)C[C@@H]1CCCC[C@H]1C)C(C)C ZINC001486380238 928013742 /nfs/dbraw/zinc/01/37/42/928013742.db2.gz ATFWZWDUSDOFJT-SJORKVTESA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCCCCC[N@@H+]1CC=C(CNC(=O)C(C)C)CC1 ZINC001486501183 928029835 /nfs/dbraw/zinc/02/98/35/928029835.db2.gz APDFSGWKIGGDHC-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCCC[N@H+](CC)CCNC(=O)c1ccc2[nH]ccc2c1 ZINC001493011503 928086811 /nfs/dbraw/zinc/08/68/11/928086811.db2.gz LAKXSBJGKDDXKD-UHFFFAOYSA-N 1 1 299.418 3.186 20 30 CGEDMO CC[C@@H]1CCCCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000217835419 928161253 /nfs/dbraw/zinc/16/12/53/928161253.db2.gz JQKYXBFQCGEXAC-IAGOWNOFSA-N 1 1 272.392 3.246 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(C)CCCC1 ZINC001488645542 928290358 /nfs/dbraw/zinc/29/03/58/928290358.db2.gz RSQSECVOIQMKSM-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)C(CC(C)C)CC(C)C ZINC001488699484 928295282 /nfs/dbraw/zinc/29/52/82/928295282.db2.gz QOPJRDPFIUFOQY-QGZVFWFLSA-N 1 1 294.483 3.414 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(CC(C)C)CC(C)C ZINC001488699484 928295290 /nfs/dbraw/zinc/29/52/90/928295290.db2.gz QOPJRDPFIUFOQY-QGZVFWFLSA-N 1 1 294.483 3.414 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[N@H+](CCCC)[C@@H]1CC ZINC001489116018 928313896 /nfs/dbraw/zinc/31/38/96/928313896.db2.gz HQFDGGAGKSUAJW-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)C[C@H](F)CC)C1 ZINC001480734996 937236115 /nfs/dbraw/zinc/23/61/15/937236115.db2.gz AQDGNAUZJGQZDI-HUUCEWRRSA-N 1 1 298.446 3.260 20 30 CGEDMO C#CCCCCCC(=O)N1CCCC[C@H]1C[N@H+](C)CCC ZINC001489328050 928329872 /nfs/dbraw/zinc/32/98/72/928329872.db2.gz RCOQPRJAWQUAQV-KRWDZBQOSA-N 1 1 292.467 3.293 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@]1(C)CCC(C)=C(C)C1 ZINC001493161758 928333818 /nfs/dbraw/zinc/33/38/18/928333818.db2.gz NKMYXZDZPLSDRR-AEFFLSMTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCCNC(=O)[C@@]1(C)CC=CCC1 ZINC001490195536 928336354 /nfs/dbraw/zinc/33/63/54/928336354.db2.gz NQKADLDDNAPXBB-KRWDZBQOSA-N 1 1 278.440 3.137 20 30 CGEDMO CC#CC[N@@H+](C)CCCNC(=O)[C@H](C)CC1CCCCC1 ZINC001490277399 928339675 /nfs/dbraw/zinc/33/96/75/928339675.db2.gz ULRYETNHRFIDML-MRXNPFEDSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCCC[N@@H+](C)CCCNC(=O)c1cc(C)ccc1F ZINC001490256286 928341168 /nfs/dbraw/zinc/34/11/68/928341168.db2.gz WJIJQBWYVQUPTQ-UHFFFAOYSA-N 1 1 292.398 3.152 20 30 CGEDMO C=CC[N@@H+](C)CCCNC(=O)CC1(C=C)CCCCC1 ZINC001490257332 928341591 /nfs/dbraw/zinc/34/15/91/928341591.db2.gz CTSSRHGKMYCGBT-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)[C@@H](F)c1ccccc1 ZINC001490350194 928343871 /nfs/dbraw/zinc/34/38/71/928343871.db2.gz PKMCYQYOSAROPJ-INIZCTEOSA-N 1 1 292.398 3.102 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)CCCNC(=O)C[C@H]1C=CCCC1 ZINC001490331610 928346006 /nfs/dbraw/zinc/34/60/06/928346006.db2.gz SXXJQLMRPJMEPX-HNNXBMFYSA-N 1 1 298.858 3.314 20 30 CGEDMO C=CCC[N@@H+](CC)CCCNC(=O)c1sc(C)cc1C ZINC001490330250 928348020 /nfs/dbraw/zinc/34/80/20/928348020.db2.gz PQIVHOCYQLKOLT-UHFFFAOYSA-N 1 1 294.464 3.383 20 30 CGEDMO CC[C@@H](C)C[N@@H+](CCCNC(=O)C#CC(C)(C)C)C1CC1 ZINC001490372786 928351132 /nfs/dbraw/zinc/35/11/32/928351132.db2.gz WPIANZOHOVIYIT-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(Cl)C[N@@H+](CCCNC(=O)[C@H](C)C(C)C)C1CC1 ZINC001490387696 928352997 /nfs/dbraw/zinc/35/29/97/928352997.db2.gz OGQIEOUTZDBSET-CYBMUJFWSA-N 1 1 286.847 3.002 20 30 CGEDMO C=C(Cl)C[N@H+](CCCNC(=O)[C@H](C)C(C)C)C1CC1 ZINC001490387696 928353005 /nfs/dbraw/zinc/35/30/05/928353005.db2.gz OGQIEOUTZDBSET-CYBMUJFWSA-N 1 1 286.847 3.002 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](CNC(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC001493272699 937239735 /nfs/dbraw/zinc/23/97/35/937239735.db2.gz XAKZCWDGDIPMHX-HOTGVXAUSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(C)c2)C1 ZINC001490431207 928364391 /nfs/dbraw/zinc/36/43/91/928364391.db2.gz RWFJDEQBGALCSD-QGZVFWFLSA-N 1 1 286.419 3.042 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)C[C@@H](C)CC)C1 ZINC001490758675 928385262 /nfs/dbraw/zinc/38/52/62/928385262.db2.gz GPBXWOAPWTVKCW-JKSUJKDBSA-N 1 1 280.456 3.169 20 30 CGEDMO C#Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]2CCC)c(Cl)c1 ZINC000885673091 928441290 /nfs/dbraw/zinc/44/12/90/928441290.db2.gz AEHNDSBAUGJEDX-HNNXBMFYSA-N 1 1 290.794 3.134 20 30 CGEDMO C#Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2CCC)c(Cl)c1 ZINC000885673091 928441296 /nfs/dbraw/zinc/44/12/96/928441296.db2.gz AEHNDSBAUGJEDX-HNNXBMFYSA-N 1 1 290.794 3.134 20 30 CGEDMO N#CCC[N@@H+](Cc1c[nH]c(=O)c2ccccc12)CC1CC1 ZINC001434456945 937248611 /nfs/dbraw/zinc/24/86/11/937248611.db2.gz CKNMYOCXUCZLTP-UHFFFAOYSA-N 1 1 281.359 3.066 20 30 CGEDMO N#CCC[N@H+](Cc1c[nH]c(=O)c2ccccc12)CC1CC1 ZINC001434456945 937248614 /nfs/dbraw/zinc/24/86/14/937248614.db2.gz CKNMYOCXUCZLTP-UHFFFAOYSA-N 1 1 281.359 3.066 20 30 CGEDMO C#CC[N@H+](C/C=C\c1ccccc1OC)CC1CC1 ZINC001320522968 928492466 /nfs/dbraw/zinc/49/24/66/928492466.db2.gz UYPWXGRSXSXKDW-VURMDHGXSA-N 1 1 255.361 3.054 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H]1CCC[N@@H+](CC(=C)Cl)CC1 ZINC001327148273 928621878 /nfs/dbraw/zinc/62/18/78/928621878.db2.gz SATFAIDHLKTBCZ-CABCVRRESA-N 1 1 298.858 3.312 20 30 CGEDMO C#CCCCCC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](CCCC)C1 ZINC001491289349 928853628 /nfs/dbraw/zinc/85/36/28/928853628.db2.gz MNEMIJHXECICPK-DLBZAZTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCCCCN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001444422888 937352072 /nfs/dbraw/zinc/35/20/72/937352072.db2.gz JRGSJAQEGUHWFE-UHFFFAOYSA-N 1 1 268.445 3.169 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)CC1(C=C)CCCCC1 ZINC001448874503 937377250 /nfs/dbraw/zinc/37/72/50/937377250.db2.gz RFZLQDLSLKFILA-UHFFFAOYSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1CCC ZINC001459925890 937506585 /nfs/dbraw/zinc/50/65/85/937506585.db2.gz BETOLFWJIYWPSN-CQSZACIVSA-N 1 1 282.428 3.284 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](C[C@@H](C)COCc2ccccc2)C1 ZINC001460306971 937525397 /nfs/dbraw/zinc/52/53/97/937525397.db2.gz COZJTAVXQRJJBE-IAGOWNOFSA-N 1 1 271.404 3.185 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](C[C@H](C)COCc2ccccc2)C1 ZINC001460306969 937525944 /nfs/dbraw/zinc/52/59/44/937525944.db2.gz COZJTAVXQRJJBE-DLBZAZTESA-N 1 1 271.404 3.185 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cccc(OCCC)c2)C1 ZINC001460309046 937526003 /nfs/dbraw/zinc/52/60/03/937526003.db2.gz LRBSAONGCPSPPV-OAHLLOKOSA-N 1 1 257.377 3.321 20 30 CGEDMO C=CCCCCC[NH2+][C@H](C(=O)OC)[C@H]1CCC[C@H](OC)C1 ZINC001460328597 937527000 /nfs/dbraw/zinc/52/70/00/937527000.db2.gz KTHNRQDMSDRCQL-JYJNAYRXSA-N 1 1 297.439 3.069 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](c2cccc(OC)c2)C1(C)C ZINC001460716264 937541742 /nfs/dbraw/zinc/54/17/42/937541742.db2.gz DZWMBPIXZHWQDD-MRXNPFEDSA-N 1 1 257.377 3.286 20 30 CGEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC2(CCC)CCC)C1=O ZINC001460719091 937541883 /nfs/dbraw/zinc/54/18/83/937541883.db2.gz AXVLFRNEWIJNPH-OAHLLOKOSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccccc2O)o1 ZINC001460886280 937550208 /nfs/dbraw/zinc/55/02/08/937550208.db2.gz LIYHDLOJNFNBEA-CYBMUJFWSA-N 1 1 299.374 3.373 20 30 CGEDMO N#Cc1ccc(Cl)c(OC2CC[NH+](CCF)CC2)c1 ZINC001229247874 932122590 /nfs/dbraw/zinc/12/25/90/932122590.db2.gz JPRXRGSYNWQDBK-UHFFFAOYSA-N 1 1 282.746 3.024 20 30 CGEDMO N#Cc1csc(C[NH2+]C/C=C\c2ccc(F)cc2F)n1 ZINC001461781752 937597015 /nfs/dbraw/zinc/59/70/15/937597015.db2.gz DPVOMDDJXARSCQ-UPHRSURJSA-N 1 1 291.326 3.096 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)CC[C@H](C)CC)CC1 ZINC001229716256 932473582 /nfs/dbraw/zinc/47/35/82/932473582.db2.gz VSJOZESFGXCGED-GFCCVEGCSA-N 1 1 286.847 3.146 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C)o1 ZINC001230658534 932605747 /nfs/dbraw/zinc/60/57/47/932605747.db2.gz BKLCSKLMTNZADO-ZFWWWQNUSA-N 1 1 290.407 3.089 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CCCC ZINC001230797781 932624456 /nfs/dbraw/zinc/62/44/56/932624456.db2.gz JQJKNMXHBCODTE-GJZGRUSLSA-N 1 1 266.429 3.064 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)/C=C(\C)C1CC1 ZINC001230957693 932648322 /nfs/dbraw/zinc/64/83/22/932648322.db2.gz IAMYAYMVHFURNP-YTLDMCMYSA-N 1 1 290.451 3.230 20 30 CGEDMO CC(=O)[C@H]1CCC[N@H+](Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232115039 932681386 /nfs/dbraw/zinc/68/13/86/932681386.db2.gz DDENSFBVSHXPJC-AWEZNQCLSA-N 1 1 276.767 3.013 20 30 CGEDMO CC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232115039 932681390 /nfs/dbraw/zinc/68/13/90/932681390.db2.gz DDENSFBVSHXPJC-AWEZNQCLSA-N 1 1 276.767 3.013 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CC(=C)C)[C@@H]1C ZINC001332208730 932735315 /nfs/dbraw/zinc/73/53/15/932735315.db2.gz WWSSEPBJOMOSAV-HUUCEWRRSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@]1(C)CC=C(C)CC1 ZINC001316608941 932749015 /nfs/dbraw/zinc/74/90/15/932749015.db2.gz IOSRARCGYHDLTG-WMZOPIPTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C=C(CC)CC)C1 ZINC001491923962 932796070 /nfs/dbraw/zinc/79/60/70/932796070.db2.gz VDBNJYTVMCKWBJ-INIZCTEOSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1CCCNC(=O)C1(C)CCC1 ZINC001492165942 932809428 /nfs/dbraw/zinc/80/94/28/932809428.db2.gz DGGCXECYCBIUMR-CQSZACIVSA-N 1 1 298.858 3.290 20 30 CGEDMO C=CCC[N@H+](C)CCNC(=O)C[C@@H](C)CC(C)(C)C ZINC001492432825 932817245 /nfs/dbraw/zinc/81/72/45/932817245.db2.gz VRQTVCZYALNWQA-CQSZACIVSA-N 1 1 268.445 3.073 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@H](C)[NH2+]C/C(Cl)=C\Cl ZINC001317271087 932825245 /nfs/dbraw/zinc/82/52/45/932825245.db2.gz LRAOORYNORFMDP-VUBLIPMDSA-N 1 1 293.238 3.002 20 30 CGEDMO C=CCCCC(=O)NCC[N@@H+](C)Cc1cc(C)ccc1F ZINC001317459429 932882962 /nfs/dbraw/zinc/88/29/62/932882962.db2.gz WRQPOSGNWAXHAM-UHFFFAOYSA-N 1 1 292.398 3.038 20 30 CGEDMO C=CCCCC(=O)NCC[N@H+](C)Cc1cc(C)ccc1F ZINC001317459429 932882966 /nfs/dbraw/zinc/88/29/66/932882966.db2.gz WRQPOSGNWAXHAM-UHFFFAOYSA-N 1 1 292.398 3.038 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(C(=O)OC)c(C(C)C)[nH]2)C1 ZINC001462464001 937642954 /nfs/dbraw/zinc/64/29/54/937642954.db2.gz XSJDVUPEBGVGBI-CYBMUJFWSA-N 1 1 290.407 3.323 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CCc2ccc(F)cc2F)C1 ZINC001462463669 937643070 /nfs/dbraw/zinc/64/30/70/937643070.db2.gz VSWSMHNSDFIBCK-LBPRGKRZSA-N 1 1 251.320 3.405 20 30 CGEDMO CCCCCCCCCC[N@H+]1CCN2CCOC[C@@H]2C1 ZINC001307669582 932984031 /nfs/dbraw/zinc/98/40/31/932984031.db2.gz IEUPXOSPRJKCLY-KRWDZBQOSA-N 1 1 282.472 3.144 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H](Cc1ccccc1)OC ZINC001307731324 932992335 /nfs/dbraw/zinc/99/23/35/932992335.db2.gz DOIJTIQXHWPUBG-SJORKVTESA-N 1 1 259.393 3.285 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@@H](C)[C@@H]1C(=O)OC(C)(C)C ZINC001307860854 933010210 /nfs/dbraw/zinc/01/02/10/933010210.db2.gz SDIRVXMSNPWAPQ-ZIAGYGMSSA-N 1 1 267.413 3.395 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)N(C)[C@H]2CCCC[C@@H]2C)C1 ZINC001307915892 933020091 /nfs/dbraw/zinc/02/00/91/933020091.db2.gz ZEOQORXKRUTDIP-BBWFWOEESA-N 1 1 292.467 3.312 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1Cc2c[nH]nc2C[C@H](C)C1 ZINC001308078816 933044695 /nfs/dbraw/zinc/04/46/95/933044695.db2.gz WREALCSSNGYSCS-LBPRGKRZSA-N 1 1 294.402 3.093 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1c[nH]c(=O)c2ccccc12 ZINC001308139269 933056491 /nfs/dbraw/zinc/05/64/91/933056491.db2.gz DXGKCISGOKIVOV-CYBMUJFWSA-N 1 1 254.333 3.091 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCCC[C@H]2[C@@H]2CCCO2)c1F ZINC001308160302 933061578 /nfs/dbraw/zinc/06/15/78/933061578.db2.gz NLFVTNCLTOKIPZ-HOTGVXAUSA-N 1 1 288.366 3.231 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@@H](C)OCC[C@H]1C ZINC001308165828 933062998 /nfs/dbraw/zinc/06/29/98/933062998.db2.gz DEVGUAFOGSJVQJ-HUUCEWRRSA-N 1 1 272.392 3.174 20 30 CGEDMO C#CC[N@@H+](C)Cc1cnc(-c2ccc(C)c(C)c2)s1 ZINC001462625282 937654949 /nfs/dbraw/zinc/65/49/49/937654949.db2.gz YHCVILKIGDKQFV-UHFFFAOYSA-N 1 1 270.401 3.492 20 30 CGEDMO C#CC[N@H+](C)Cc1cnc(-c2ccc(C)c(C)c2)s1 ZINC001462625282 937654951 /nfs/dbraw/zinc/65/49/51/937654951.db2.gz YHCVILKIGDKQFV-UHFFFAOYSA-N 1 1 270.401 3.492 20 30 CGEDMO C=CCC[C@@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@H]12)C(=O)OCC ZINC001308769985 933173874 /nfs/dbraw/zinc/17/38/74/933173874.db2.gz OUUBJQZNNJHKPO-BYNSBNAKSA-N 1 1 265.397 3.053 20 30 CGEDMO C=CCC[C@H]([NH2+][C@@H]1CCC[C@@H](CC)C1)C(=O)OCC ZINC001308770444 933173928 /nfs/dbraw/zinc/17/39/28/933173928.db2.gz VZMNBYVDYKJXHU-KFWWJZLASA-N 1 1 267.413 3.443 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2[C@H](C)CC[C@@H]2C(=O)OC(C)(C)C)cc1 ZINC001308851429 933190142 /nfs/dbraw/zinc/19/01/42/933190142.db2.gz LIYHBBDZOSVSFE-RHSMWYFYSA-N 1 1 299.414 3.363 20 30 CGEDMO C#Cc1ccc(C[N@H+]2[C@H](C)CC[C@@H]2C(=O)OC(C)(C)C)cc1 ZINC001308851429 933190145 /nfs/dbraw/zinc/19/01/45/933190145.db2.gz LIYHBBDZOSVSFE-RHSMWYFYSA-N 1 1 299.414 3.363 20 30 CGEDMO CN(c1ccccc1)[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001308884176 933197391 /nfs/dbraw/zinc/19/73/91/933197391.db2.gz NOYZFFQSNGVVGG-HXUWFJFHSA-N 1 1 290.410 3.249 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1ccc(O)c(F)c1 ZINC001308908404 933201891 /nfs/dbraw/zinc/20/18/91/933201891.db2.gz DBILMUBJUAAXPC-UHFFFAOYSA-N 1 1 284.334 3.077 20 30 CGEDMO C=CCC1(O)C[NH+](Cc2cccc(CC3CCC3)c2)C1 ZINC001308981123 933219933 /nfs/dbraw/zinc/21/99/33/933219933.db2.gz ZVKSPOVEORDNOE-UHFFFAOYSA-N 1 1 271.404 3.152 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](CCC)CC(C)C ZINC001317513268 933316088 /nfs/dbraw/zinc/31/60/88/933316088.db2.gz JEXDTVLFJWDOLJ-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO CCCCCCCNC(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC001313052320 933421632 /nfs/dbraw/zinc/42/16/32/933421632.db2.gz FLFABEHAEDKLTO-OAHLLOKOSA-N 1 1 295.471 3.083 20 30 CGEDMO C=CCCC(=O)N1C[C@@H]2C[N@@H+]([C@H](C)CCC=C)CC[C@@H]2C1 ZINC001316749297 933477792 /nfs/dbraw/zinc/47/77/92/933477792.db2.gz JCIJYADKFSAFRS-ZACQAIPSSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC001316948490 933499144 /nfs/dbraw/zinc/49/91/44/933499144.db2.gz GHYRUMUYJYIBAF-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](CCC)CC(C)C)C1 ZINC001316953461 933501781 /nfs/dbraw/zinc/50/17/81/933501781.db2.gz MCBLXKTYXQEXGV-HZPDHXFCSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001316977274 933505762 /nfs/dbraw/zinc/50/57/62/933505762.db2.gz GULGSUCAMLECQO-CVEARBPZSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(CCC)CCC1 ZINC001317049950 933521021 /nfs/dbraw/zinc/52/10/21/933521021.db2.gz IJXAZWCXLRBPPP-IYBDPMFKSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCCC)C1 ZINC001317100217 933530834 /nfs/dbraw/zinc/53/08/34/933530834.db2.gz HHZRRVWXHJWAPF-HUUCEWRRSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCCC)C1 ZINC001317100217 933530836 /nfs/dbraw/zinc/53/08/36/933530836.db2.gz HHZRRVWXHJWAPF-HUUCEWRRSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)CC(C)=C(C)C)C1 ZINC001317137200 933539237 /nfs/dbraw/zinc/53/92/37/933539237.db2.gz IPRAZLKBPCIQOK-INIZCTEOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)C[C@H]2CC=CCC2)C1 ZINC001317136272 933539753 /nfs/dbraw/zinc/53/97/53/933539753.db2.gz BPWWEXSJPYGNLK-DLBZAZTESA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)C[C@@H]2CC=CCC2)C1 ZINC001317136273 933541271 /nfs/dbraw/zinc/54/12/71/933541271.db2.gz BPWWEXSJPYGNLK-IAGOWNOFSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1CC(C)C ZINC001317199180 933551477 /nfs/dbraw/zinc/55/14/77/933551477.db2.gz QAIGFCVMLIRGEG-DLBZAZTESA-N 1 1 292.467 3.454 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@H]([N@H+](C)C[C@@H](C)CC)C2)C1 ZINC001317384447 933582877 /nfs/dbraw/zinc/58/28/77/933582877.db2.gz WPRYZDASUSWXKL-HOCLYGCPSA-N 1 1 292.467 3.312 20 30 CGEDMO CC(C)(C)C#CC(=O)NC[C@H]1CCC[N@@H+]1CCC(C)(C)C ZINC001317505581 933607527 /nfs/dbraw/zinc/60/75/27/933607527.db2.gz QVTDARQAABHVNI-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)CC2(C)CCCC2)C1 ZINC001317524019 933610224 /nfs/dbraw/zinc/61/02/24/933610224.db2.gz WTOHPYDLQSIIJE-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C1CC(C)(C(=O)NCC[N@H+](CCC)C[C@H](C)CC)C1 ZINC001317544705 933615472 /nfs/dbraw/zinc/61/54/72/933615472.db2.gz AVRHYAHKYWJNTF-CQSZACIVSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCC[N@@H+](CCNC(=O)C=C1CCCCC1)C1CC1 ZINC001317549529 933617923 /nfs/dbraw/zinc/61/79/23/933617923.db2.gz XYJMHWHNANRFKI-UHFFFAOYSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)c1ccc(C=C)cc1)C(C)C ZINC001317702187 933634558 /nfs/dbraw/zinc/63/45/58/933634558.db2.gz TZWDUXHKQXRSBI-UHFFFAOYSA-N 1 1 286.419 3.346 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)C(C)=C2CCCC2)C1 ZINC001317753220 933641493 /nfs/dbraw/zinc/64/14/93/933641493.db2.gz CFYHUDIOYSOBNP-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C[C@H](CC)CC(=O)N(CCC)[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001317764382 933648111 /nfs/dbraw/zinc/64/81/11/933648111.db2.gz YYXPTQFEPMVCBO-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@H+](C)CC1CCN(C(=O)CCC=C)CC1 ZINC001317869716 933660954 /nfs/dbraw/zinc/66/09/54/933660954.db2.gz WYUGLPMAVWZXEH-UHFFFAOYSA-N 1 1 278.440 3.089 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)C2CCCC2)CC1 ZINC001317865149 933661562 /nfs/dbraw/zinc/66/15/62/933661562.db2.gz AOWUTRVOBLDPPK-UHFFFAOYSA-N 1 1 298.858 3.100 20 30 CGEDMO C#CC[N@H+](C)CC1CCN(C(=O)C(CCC)CCC)CC1 ZINC001317875311 933662072 /nfs/dbraw/zinc/66/20/72/933662072.db2.gz FLCKZWJDCOTHDQ-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)CCCC[C@@H](C)CC)C1 ZINC001317970922 933669618 /nfs/dbraw/zinc/66/96/18/933669618.db2.gz QMKFVAFGWFVLRJ-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO CC#CCCCC(=O)N[C@H]1CCC[N@H+](CCCCCC)C1 ZINC001317979692 933671181 /nfs/dbraw/zinc/67/11/81/933671181.db2.gz UXYRGMZHKMOVGT-KRWDZBQOSA-N 1 1 292.467 3.341 20 30 CGEDMO C=CC1(CC(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CCCCC1 ZINC001466010249 937705861 /nfs/dbraw/zinc/70/58/61/937705861.db2.gz DTTNPXYVKXFKKR-LSDHHAIUSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@](C)(CC)CCC ZINC001318220515 933695825 /nfs/dbraw/zinc/69/58/25/933695825.db2.gz ZSGUSWWOPSJZLT-XYJFISCASA-N 1 1 292.467 3.454 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCCCF ZINC001318209841 933697009 /nfs/dbraw/zinc/69/70/09/933697009.db2.gz QRCCOGMEURAGJS-PMPSAXMXSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2C)C1 ZINC001318239451 933698602 /nfs/dbraw/zinc/69/86/02/933698602.db2.gz SYFGKSLXPXVPOP-HOTGVXAUSA-N 1 1 286.419 3.213 20 30 CGEDMO C=CCC(CC=C)C(=O)N(C)[C@H]1CC[N@@H+](CCC(=C)C)C1 ZINC001318406044 933721593 /nfs/dbraw/zinc/72/15/93/933721593.db2.gz CKUYZSABKPDCIA-KRWDZBQOSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H](C)CCC)C1 ZINC001318460275 933730227 /nfs/dbraw/zinc/73/02/27/933730227.db2.gz XMONAAQKKNHBLN-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)CC2(C)CC2)C1 ZINC001318480551 933731936 /nfs/dbraw/zinc/73/19/36/933731936.db2.gz XQCBMJXCVCICAS-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC2(C1)CCN(C(=O)CC(CC)CC)CC2 ZINC001319146309 933834123 /nfs/dbraw/zinc/83/41/23/933834123.db2.gz YDJSVORTYPQHSW-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)C[C@@H]1CCCC[C@H]1C ZINC001467727610 937721367 /nfs/dbraw/zinc/72/13/67/937721367.db2.gz MYEGIAVLUSQUIL-CVEARBPZSA-N 1 1 280.456 3.169 20 30 CGEDMO C[NH+](C)[C@@H]1CCCC[C@H]1N[C@@H]1CCCc2cc(C#N)ccc21 ZINC001319804257 933934526 /nfs/dbraw/zinc/93/45/26/933934526.db2.gz FWNBJTFKMUJXMY-GUDVDZBRSA-N 1 1 297.446 3.398 20 30 CGEDMO C=CCC[N@H+](C)CCC1CCN(C(=O)C2CC=CC2)CC1 ZINC001319875375 933948477 /nfs/dbraw/zinc/94/84/77/933948477.db2.gz QZZZWSCOENQDSC-UHFFFAOYSA-N 1 1 290.451 3.089 20 30 CGEDMO C[C@@H](C#N)C[N@H+](CCc1ccc(F)cc1F)C1CC1 ZINC001319988693 933974912 /nfs/dbraw/zinc/97/49/12/933974912.db2.gz GEMUHXXQOVSXCS-NSHDSACASA-N 1 1 264.319 3.131 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](CCc1ccc(F)cc1F)C1CC1 ZINC001319988693 933974914 /nfs/dbraw/zinc/97/49/14/933974914.db2.gz GEMUHXXQOVSXCS-NSHDSACASA-N 1 1 264.319 3.131 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cccc(Cl)c2)C1 ZINC001320039947 933985511 /nfs/dbraw/zinc/98/55/11/933985511.db2.gz SBBVVNBVZZSODN-AWEZNQCLSA-N 1 1 251.757 3.117 20 30 CGEDMO C=C[C@H](COC)[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC001320427212 934047780 /nfs/dbraw/zinc/04/77/80/934047780.db2.gz CJHHYAMXQXMYBI-CYBMUJFWSA-N 1 1 273.332 3.363 20 30 CGEDMO C=CCO[C@H]1CC[N@H+]([C@@H](CCOC)c2ccccc2)C1 ZINC001320899656 934118864 /nfs/dbraw/zinc/11/88/64/934118864.db2.gz UFHMYXOFKIEGON-IRXDYDNUSA-N 1 1 275.392 3.041 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cnc(CC(C)C)s2)C1 ZINC001320968417 934130253 /nfs/dbraw/zinc/13/02/53/934130253.db2.gz ZXGPTHNMAYRKGH-CYBMUJFWSA-N 1 1 280.437 3.119 20 30 CGEDMO Cc1[nH+]c2cc(Nc3c(C#N)cccc3C#N)ccc2n1C ZINC001321176902 934159790 /nfs/dbraw/zinc/15/97/90/934159790.db2.gz QTPXGCIXCIXNJW-UHFFFAOYSA-N 1 1 287.326 3.369 20 30 CGEDMO CC[C@H](N[C@@H]1CCCC[C@@H]1[NH+](C)C)c1ccc(C#N)cc1 ZINC001321282539 934171674 /nfs/dbraw/zinc/17/16/74/934171674.db2.gz KWLKQENCGOPRLZ-KSZLIROESA-N 1 1 285.435 3.472 20 30 CGEDMO C=CCn1cnn(C[N@@H+](C)[C@H]2CCC[C@H](C)C2)c1=S ZINC001322024948 934231717 /nfs/dbraw/zinc/23/17/17/934231717.db2.gz MPUWRTULWVPTPC-STQMWFEESA-N 1 1 280.441 3.068 20 30 CGEDMO C=CCn1cnn(C[N@H+](C)[C@H]2CCC[C@H](C)C2)c1=S ZINC001322024948 934231724 /nfs/dbraw/zinc/23/17/24/934231724.db2.gz MPUWRTULWVPTPC-STQMWFEESA-N 1 1 280.441 3.068 20 30 CGEDMO C=CCCC(=O)N[C@H](C)C[N@@H+](C)Cc1cc(F)ccc1C ZINC001322118815 934246815 /nfs/dbraw/zinc/24/68/15/934246815.db2.gz BBRYDBPJLZWRBK-CQSZACIVSA-N 1 1 292.398 3.037 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)c1ccsc1Cl ZINC001322259465 934264839 /nfs/dbraw/zinc/26/48/39/934264839.db2.gz XKRMPXQJTAZBTL-SNVBAGLBSA-N 1 1 286.828 3.028 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)c1c(C)cc(C)cc1C ZINC001322292709 934272738 /nfs/dbraw/zinc/27/27/38/934272738.db2.gz ITNUSXYASOIJMQ-MRXNPFEDSA-N 1 1 288.435 3.238 20 30 CGEDMO C=C(C)COC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC001323117303 934364335 /nfs/dbraw/zinc/36/43/35/934364335.db2.gz OANOUJZOVMVNFV-QGZVFWFLSA-N 1 1 287.403 3.469 20 30 CGEDMO C=C(C)COC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC001323117303 934364344 /nfs/dbraw/zinc/36/43/44/934364344.db2.gz OANOUJZOVMVNFV-QGZVFWFLSA-N 1 1 287.403 3.469 20 30 CGEDMO C[C@H]1CC(N=Nc2ccccc2Cl)CC[N@H+]1C ZINC001323136925 934365874 /nfs/dbraw/zinc/36/58/74/934365874.db2.gz SOSMUZHOMONSAV-JTQLQIEISA-N 1 1 251.761 3.222 20 30 CGEDMO C#CC[N@H+](Cc1ccnc2ccccc12)CC1CC1 ZINC001323331631 934384415 /nfs/dbraw/zinc/38/44/15/934384415.db2.gz RFOQIJQVDWDGEL-UHFFFAOYSA-N 1 1 250.345 3.080 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)CC(C)C ZINC001323697278 934419100 /nfs/dbraw/zinc/41/91/00/934419100.db2.gz YFGUOXOUSFDOJD-CVEARBPZSA-N 1 1 292.467 3.310 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)n1 ZINC001323935582 934440682 /nfs/dbraw/zinc/44/06/82/934440682.db2.gz IVBCPQASICDSOW-RYUDHWBXSA-N 1 1 261.394 3.027 20 30 CGEDMO N#Cc1csc(C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)n1 ZINC001323935582 934440686 /nfs/dbraw/zinc/44/06/86/934440686.db2.gz IVBCPQASICDSOW-RYUDHWBXSA-N 1 1 261.394 3.027 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2ccc3occc3c2)C1 ZINC001323965334 934443066 /nfs/dbraw/zinc/44/30/66/934443066.db2.gz NSRRRSYLRQXYNV-HNNXBMFYSA-N 1 1 257.333 3.210 20 30 CGEDMO Cc1nc(NCC[N@H+]2CCCC2(C)C)c(Cl)cc1C#N ZINC001472804364 937784614 /nfs/dbraw/zinc/78/46/14/937784614.db2.gz YSUYCDRUGOJUOB-UHFFFAOYSA-N 1 1 292.814 3.201 20 30 CGEDMO CC[N@@H+](Cc1ccccc1N1CCCC1)C[C@H](C)C#N ZINC001324725104 934558536 /nfs/dbraw/zinc/55/85/36/934558536.db2.gz PRSDXQDSTOWOSG-OAHLLOKOSA-N 1 1 271.408 3.268 20 30 CGEDMO CC[N@H+](Cc1ccccc1N1CCCC1)C[C@H](C)C#N ZINC001324725104 934558546 /nfs/dbraw/zinc/55/85/46/934558546.db2.gz PRSDXQDSTOWOSG-OAHLLOKOSA-N 1 1 271.408 3.268 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](CCc2cccc(Cl)c2)C1 ZINC001324746992 934562109 /nfs/dbraw/zinc/56/21/09/934562109.db2.gz IYIZDQXIOONDKB-HNNXBMFYSA-N 1 1 265.784 3.159 20 30 CGEDMO N#Cc1ccc(F)cc1NC[C@H]1CCCC[N@H+]1C1CC1 ZINC001472777314 937783814 /nfs/dbraw/zinc/78/38/14/937783814.db2.gz TWIGWXUPYFZETQ-OAHLLOKOSA-N 1 1 273.355 3.126 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)[C@H](CC(C)C)C(=O)OC ZINC001473137080 937794056 /nfs/dbraw/zinc/79/40/56/937794056.db2.gz OZSKIWSXMKBTQJ-QGZVFWFLSA-N 1 1 289.419 3.305 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)[C@H](CC(C)C)C(=O)OC ZINC001473137080 937794057 /nfs/dbraw/zinc/79/40/57/937794057.db2.gz OZSKIWSXMKBTQJ-QGZVFWFLSA-N 1 1 289.419 3.305 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@H](COC)C(C)C ZINC001473137828 937794350 /nfs/dbraw/zinc/79/43/50/937794350.db2.gz ZFKDALDQRZQAKO-MRXNPFEDSA-N 1 1 277.383 3.180 20 30 CGEDMO C=CCCCC[N@H+](CC)[C@H]1CCN(c2ccccc2)C1=O ZINC001473183954 937796669 /nfs/dbraw/zinc/79/66/69/937796669.db2.gz CCCAJVLBXNMAEG-KRWDZBQOSA-N 1 1 286.419 3.470 20 30 CGEDMO CC[C@H](C)[C@@H](C)[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC001473348413 937802591 /nfs/dbraw/zinc/80/25/91/937802591.db2.gz SNFLXPBDRCFDHX-VBQJREDUSA-N 1 1 272.392 3.366 20 30 CGEDMO CCCCCCCC[NH2+]C1(C(=O)OC)CCCC1 ZINC001473351691 937802832 /nfs/dbraw/zinc/80/28/32/937802832.db2.gz SGQUFJJFVNBITM-UHFFFAOYSA-N 1 1 255.402 3.422 20 30 CGEDMO CC[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1cncc(C#N)c1 ZINC001473389344 937804506 /nfs/dbraw/zinc/80/45/06/937804506.db2.gz SSCIGHFLJWYHHY-CVEARBPZSA-N 1 1 257.381 3.354 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](C)CC)C1 ZINC001324909244 934871414 /nfs/dbraw/zinc/87/14/14/934871414.db2.gz JYIGWOSCQZACSN-DOTOQJQBSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@](C)(CNC(=O)CC)C1 ZINC001324905818 934871712 /nfs/dbraw/zinc/87/17/12/934871712.db2.gz XFIBFNVNENUOEZ-KRWDZBQOSA-N 1 1 280.456 3.361 20 30 CGEDMO C[N@@H+](C[C@H]1CCCC12CCOCC2)CC(C)(C)C#N ZINC001473497529 937809280 /nfs/dbraw/zinc/80/92/80/937809280.db2.gz CVNYSWDNKZVOHK-CQSZACIVSA-N 1 1 264.413 3.065 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+]([C@H](C)c2nc(-c3ccccc3)no2)C1 ZINC001325223358 934895919 /nfs/dbraw/zinc/89/59/19/934895919.db2.gz OBUUQAWJMGHERZ-UKRRQHHQSA-N 1 1 299.374 3.075 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+]([C@H](C)c2nc(-c3ccccc3)no2)C1 ZINC001325223358 934895922 /nfs/dbraw/zinc/89/59/22/934895922.db2.gz OBUUQAWJMGHERZ-UKRRQHHQSA-N 1 1 299.374 3.075 20 30 CGEDMO C=CCCC[N@H+]1C[C@H]2CN(C(=O)CC[C@H](C)CC)C[C@H]2C1 ZINC001325767408 934928761 /nfs/dbraw/zinc/92/87/61/934928761.db2.gz ZUNSTJINDIPZEA-ZACQAIPSSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1CC(=O)OC(C)(C)C ZINC001473611186 937813524 /nfs/dbraw/zinc/81/35/24/937813524.db2.gz NXQKJLAQPBJYDV-ZDUSSCGKSA-N 1 1 253.386 3.149 20 30 CGEDMO C=CC[N@@H+](C[C@H]1CN(C2CCCCC2)C(=O)O1)C(C)(C)C ZINC001473651387 937815968 /nfs/dbraw/zinc/81/59/68/937815968.db2.gz UINWXNIAGWRDPO-HNNXBMFYSA-N 1 1 294.439 3.426 20 30 CGEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2CCCCC)C1=O ZINC001473663147 937816554 /nfs/dbraw/zinc/81/65/54/937816554.db2.gz PFJWZFXSDOWVQW-JKSUJKDBSA-N 1 1 278.440 3.208 20 30 CGEDMO C#CCC[N@@H+](CCOC)CCSc1ccc(C)c(C)c1 ZINC001473670955 937816642 /nfs/dbraw/zinc/81/66/42/937816642.db2.gz SWZALGLDBNJFKL-UHFFFAOYSA-N 1 1 291.460 3.367 20 30 CGEDMO C[N@H+](CCOC1CCCCCC1)[C@@H]1CCC[C@@H]1C#N ZINC001473707462 937817963 /nfs/dbraw/zinc/81/79/63/937817963.db2.gz QWYKFPNXSGOINX-GDBMZVCRSA-N 1 1 264.413 3.350 20 30 CGEDMO C[N@@H+](CCOC1CCCCCC1)[C@@H]1CCC[C@@H]1C#N ZINC001473707462 937817964 /nfs/dbraw/zinc/81/79/64/937817964.db2.gz QWYKFPNXSGOINX-GDBMZVCRSA-N 1 1 264.413 3.350 20 30 CGEDMO C[N@H+](Cc1c[nH]c(=O)c2ccccc12)[C@@H]1CCC[C@H]1C#N ZINC001473707284 937818385 /nfs/dbraw/zinc/81/83/85/937818385.db2.gz IYAXBXNOGJRDGN-BLLLJJGKSA-N 1 1 281.359 3.064 20 30 CGEDMO C[N@@H+](Cc1c[nH]c(=O)c2ccccc12)[C@@H]1CCC[C@H]1C#N ZINC001473707284 937818386 /nfs/dbraw/zinc/81/83/86/937818386.db2.gz IYAXBXNOGJRDGN-BLLLJJGKSA-N 1 1 281.359 3.064 20 30 CGEDMO C=C(C)C[N@H+](Cc1cc(C)n[nH]1)Cc1ccccc1 ZINC001326831514 935011934 /nfs/dbraw/zinc/01/19/34/935011934.db2.gz ICVFYICBUFZRIB-UHFFFAOYSA-N 1 1 255.365 3.296 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cc(C)n[nH]1)Cc1ccccc1 ZINC001326831514 935011938 /nfs/dbraw/zinc/01/19/38/935011938.db2.gz ICVFYICBUFZRIB-UHFFFAOYSA-N 1 1 255.365 3.296 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)C[C@@H]1CC=CCC1 ZINC001327245563 935047972 /nfs/dbraw/zinc/04/79/72/935047972.db2.gz MBEWVOVGWCRAJM-OAHLLOKOSA-N 1 1 298.858 3.266 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCN(C)C(=O)C[C@@H]1CC=CCC1 ZINC001327245563 935047978 /nfs/dbraw/zinc/04/79/78/935047978.db2.gz MBEWVOVGWCRAJM-OAHLLOKOSA-N 1 1 298.858 3.266 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@@H](C)c1ccccc1 ZINC001327277126 935050780 /nfs/dbraw/zinc/05/07/80/935050780.db2.gz MCSVAFQMSJNXAN-INIZCTEOSA-N 1 1 288.435 3.147 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](CN2CC[C@@H](c3ccccc3)C2=O)C1 ZINC001327701746 935079576 /nfs/dbraw/zinc/07/95/76/935079576.db2.gz ZHZVBAKWGZEZDZ-AEFFLSMTSA-N 1 1 298.430 3.248 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC001328109036 935117680 /nfs/dbraw/zinc/11/76/80/935117680.db2.gz WQRDKKHSXDZQCJ-OOFWQKGWSA-N 1 1 286.419 3.043 20 30 CGEDMO C=C/C(C)=C/CC(=O)N[C@@H]1CC[N@H+](CC(=C)Cl)[C@@H](C)C1 ZINC001328269442 935127251 /nfs/dbraw/zinc/12/72/51/935127251.db2.gz XWTGXAIEFOXOOY-ACCWSSFSSA-N 1 1 296.842 3.230 20 30 CGEDMO C=C/C(C)=C/CC(=O)N[C@@H]1CC[N@@H+](CC(=C)Cl)[C@@H](C)C1 ZINC001328269442 935127255 /nfs/dbraw/zinc/12/72/55/935127255.db2.gz XWTGXAIEFOXOOY-ACCWSSFSSA-N 1 1 296.842 3.230 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2(CCCC)CC2)C[C@@H]1C ZINC001328282759 935127925 /nfs/dbraw/zinc/12/79/25/935127925.db2.gz ZHXRLSWTXWQIFA-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@H+](CCC(C)C)[C@@H](C)C1 ZINC001328278906 935128056 /nfs/dbraw/zinc/12/80/56/935128056.db2.gz KVMCXJWIHWBCRO-HOTGVXAUSA-N 1 1 280.456 3.358 20 30 CGEDMO C#CC[N@H+](CC1CC1)[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC001328613605 935151799 /nfs/dbraw/zinc/15/17/99/935151799.db2.gz VNCLXZQUNDHIAL-AWEZNQCLSA-N 1 1 295.386 3.451 20 30 CGEDMO C#CC[N@@H+](CC1CC1)[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC001328613605 935151802 /nfs/dbraw/zinc/15/18/02/935151802.db2.gz VNCLXZQUNDHIAL-AWEZNQCLSA-N 1 1 295.386 3.451 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCC[C@H]1C[N@H+](C)CC(=C)C ZINC001328736630 935163941 /nfs/dbraw/zinc/16/39/41/935163941.db2.gz KFDSLJFWCMEYJS-KRWDZBQOSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1sccc1C ZINC001329369512 935209248 /nfs/dbraw/zinc/20/92/48/935209248.db2.gz CKOKEDHAKVSIDH-KGLIPLIRSA-N 1 1 294.464 3.461 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@H](C)[N@@H+](C)CCC(C)(C)C ZINC001329515581 935221792 /nfs/dbraw/zinc/22/17/92/935221792.db2.gz OPIPAJZTFGQWSQ-GJZGRUSLSA-N 1 1 282.472 3.461 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)c1cccc(Cl)c1 ZINC001329599755 935232146 /nfs/dbraw/zinc/23/21/46/935232146.db2.gz GNYPLPWVVIGVJM-CYBMUJFWSA-N 1 1 294.826 3.356 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)C1(C2CCCCC2)CC1 ZINC001329601235 935232979 /nfs/dbraw/zinc/23/29/79/935232979.db2.gz RGFWCWSNPVQMFY-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)CC=C ZINC001329935320 935254807 /nfs/dbraw/zinc/25/48/07/935254807.db2.gz BGTRKMAKXBNUKI-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[C@@H](C)CC ZINC001329937756 935256124 /nfs/dbraw/zinc/25/61/24/935256124.db2.gz NVUHFQIZGKFWEK-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H](C)CCCC)CC1 ZINC001331017321 935341947 /nfs/dbraw/zinc/34/19/47/935341947.db2.gz ZONJBSWYQQZQFZ-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCc1cc(C[N@H+]2CCC[C@H](CF)C2)c(O)c(OC)c1 ZINC001331048653 935344695 /nfs/dbraw/zinc/34/46/95/935344695.db2.gz ARYBOHJVFIZPOF-CQSZACIVSA-N 1 1 293.382 3.311 20 30 CGEDMO C=C1CCC(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC001331470418 935383339 /nfs/dbraw/zinc/38/33/39/935383339.db2.gz WDFJLEXXPUUXIV-QGZVFWFLSA-N 1 1 290.451 3.256 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)[C@H](C)CCCC)CC1 ZINC001333328901 935525918 /nfs/dbraw/zinc/52/59/18/935525918.db2.gz QIONXUBFIJSRNA-OAHLLOKOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccc(CSC)cc2)C1 ZINC001333705353 936057946 /nfs/dbraw/zinc/05/79/46/936057946.db2.gz GUERDRXHOFTULL-INIZCTEOSA-N 1 1 277.433 3.327 20 30 CGEDMO CC(C)[N@@H+](CCc1ccccc1)Cc1cncc(C#N)c1 ZINC001333786050 936066505 /nfs/dbraw/zinc/06/65/05/936066505.db2.gz OCVNIPPSWICLFD-UHFFFAOYSA-N 1 1 279.387 3.406 20 30 CGEDMO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1cncc(C#N)c1 ZINC001333919417 936076099 /nfs/dbraw/zinc/07/60/99/936076099.db2.gz NOQQLTOZCITXJH-MFKMUULPSA-N 1 1 283.297 3.116 20 30 CGEDMO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1cncc(C#N)c1 ZINC001333919417 936076105 /nfs/dbraw/zinc/07/61/05/936076105.db2.gz NOQQLTOZCITXJH-MFKMUULPSA-N 1 1 283.297 3.116 20 30 CGEDMO CC[C@]1(CO)CCC[N@H+]1CCCCC1(C#N)CCC1 ZINC001334159372 936088510 /nfs/dbraw/zinc/08/85/10/936088510.db2.gz ZTFYORMOTGDIGC-MRXNPFEDSA-N 1 1 264.413 3.087 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001336038849 936172743 /nfs/dbraw/zinc/17/27/43/936172743.db2.gz CVLPODDMRMNNOX-INIZCTEOSA-N 1 1 278.440 3.256 20 30 CGEDMO CC[N@H+]1CCC[C@H](CN[C@H](C)c2ccc(C#N)cc2F)C1 ZINC001337505015 936265574 /nfs/dbraw/zinc/26/55/74/936265574.db2.gz YPNFHEJTSUYZPI-UKRRQHHQSA-N 1 1 289.398 3.080 20 30 CGEDMO C=C(C)C[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1C ZINC001473768717 937820977 /nfs/dbraw/zinc/82/09/77/937820977.db2.gz HDQMUQBTDVACQH-GFCCVEGCSA-N 1 1 261.365 3.199 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1CCCCC(=O)OCC ZINC001473853840 937825230 /nfs/dbraw/zinc/82/52/30/937825230.db2.gz BMOHWELNEATYBI-AWEZNQCLSA-N 1 1 253.386 3.150 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1cnc(N(C)C)c2ccccc12 ZINC001473865143 937825802 /nfs/dbraw/zinc/82/58/02/937825802.db2.gz LPOYLXWQIWEPJE-HNNXBMFYSA-N 1 1 281.403 3.451 20 30 CGEDMO CC(C)(C)[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)CCO1 ZINC001473897146 937828659 /nfs/dbraw/zinc/82/86/59/937828659.db2.gz KKXIELOIZPGMLO-QGZVFWFLSA-N 1 1 289.394 3.314 20 30 CGEDMO CC(C)(C)[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)CCO1 ZINC001473897146 937828661 /nfs/dbraw/zinc/82/86/61/937828661.db2.gz KKXIELOIZPGMLO-QGZVFWFLSA-N 1 1 289.394 3.314 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCC[C@@]23CCCOC3)cc1 ZINC001473902498 937828957 /nfs/dbraw/zinc/82/89/57/937828957.db2.gz UBVKNOUSTYBCQL-KRWDZBQOSA-N 1 1 270.376 3.093 20 30 CGEDMO C=CCOc1ccc(CNCC[NH+]2CCCC2)cc1Cl ZINC001473915281 937830169 /nfs/dbraw/zinc/83/01/69/937830169.db2.gz PHSXOESTTZHVJP-UHFFFAOYSA-N 1 1 294.826 3.090 20 30 CGEDMO C[C@@H](c1ccccc1)[N@H+](CCO)Cc1ccc(C#N)cc1F ZINC001474336118 937852939 /nfs/dbraw/zinc/85/29/39/937852939.db2.gz SXDMSJOMSRPFII-AWEZNQCLSA-N 1 1 298.361 3.253 20 30 CGEDMO C[C@@H](c1ccccc1)[N@@H+](CCO)Cc1ccc(C#N)cc1F ZINC001474336118 937852941 /nfs/dbraw/zinc/85/29/41/937852941.db2.gz SXDMSJOMSRPFII-AWEZNQCLSA-N 1 1 298.361 3.253 20 30 CGEDMO C#CC[N@@H+](Cc1cccc(Br)c1F)CC1CC1 ZINC001474356300 937853772 /nfs/dbraw/zinc/85/37/72/937853772.db2.gz ZEKHEEGAYDTNII-UHFFFAOYSA-N 1 1 296.183 3.433 20 30 CGEDMO C#CC[N@H+](Cc1cccc(Br)c1F)CC1CC1 ZINC001474356300 937853774 /nfs/dbraw/zinc/85/37/74/937853774.db2.gz ZEKHEEGAYDTNII-UHFFFAOYSA-N 1 1 296.183 3.433 20 30 CGEDMO CC[C@](C)(C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1)OC ZINC001474358231 937854154 /nfs/dbraw/zinc/85/41/54/937854154.db2.gz OCMXZXYPIZWAJS-GOSISDBHSA-N 1 1 284.403 3.462 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC001474601358 937869691 /nfs/dbraw/zinc/86/96/91/937869691.db2.gz MZYSEAJSOFJVLY-GFCCVEGCSA-N 1 1 275.779 3.120 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)CCCC1CCCC1 ZINC001479272025 937918804 /nfs/dbraw/zinc/91/88/04/937918804.db2.gz YLWRXCYOCZDWDL-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](NC(=O)CCCC[C@H](C)CC)[C@H]1CC ZINC001479636358 937923389 /nfs/dbraw/zinc/92/33/89/937923389.db2.gz XIRZYMIUOPQKEP-IXDOHACOSA-N 1 1 292.467 3.195 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@H]1CC[N@@H+](CCC(C)C)[C@@H]1C ZINC001479716613 937924257 /nfs/dbraw/zinc/92/42/57/937924257.db2.gz LCFITQONBPBGRQ-PMPSAXMXSA-N 1 1 280.456 3.214 20 30 CGEDMO C#CCCCC(=O)N1CCCC[C@H]1C[N@@H+](C)CCC(=C)C ZINC001479734382 937924848 /nfs/dbraw/zinc/92/48/48/937924848.db2.gz LYJLQCUHONJDKT-KRWDZBQOSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C(=C)C)CC(C)(C)C1 ZINC001479745864 937925415 /nfs/dbraw/zinc/92/54/15/937925415.db2.gz OZKPVZHEZFQYKT-HNNXBMFYSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)C(F)=C1CCCC1 ZINC001479839844 937926722 /nfs/dbraw/zinc/92/67/22/937926722.db2.gz AVGOPPMZXRLTMC-UHFFFAOYSA-N 1 1 282.403 3.188 20 30 CGEDMO C=CC[N@@H+](CCCNC(=O)CC1CCCCC1)C1CC1 ZINC001479863924 937927727 /nfs/dbraw/zinc/92/77/27/937927727.db2.gz IAYJTQWETJTVFX-UHFFFAOYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)CC(C)(C)CC)C1 ZINC001479953817 937929860 /nfs/dbraw/zinc/92/98/60/937929860.db2.gz GTZQCBVLCVLEDG-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC=C)C1)c1ccccc1 ZINC001479973832 937930178 /nfs/dbraw/zinc/93/01/78/937930178.db2.gz LEPARCRSLULJCG-QZTJIDSGSA-N 1 1 298.430 3.113 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@H](C[N@H+](C)C[C@@H](C)CC)C1 ZINC001480081846 937931705 /nfs/dbraw/zinc/93/17/05/937931705.db2.gz LUFUETTYIVZCGG-JKSUJKDBSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](CC)CCC)C1 ZINC001480085028 937932326 /nfs/dbraw/zinc/93/23/26/937932326.db2.gz LWRIZKFQWCMWRZ-HZPDHXFCSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(C)(C)F)C1 ZINC001480183905 937933498 /nfs/dbraw/zinc/93/34/98/937933498.db2.gz GQQVDGWZCHYWAO-CABCVRRESA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)C1CCCC1 ZINC001480332974 937936875 /nfs/dbraw/zinc/93/68/75/937936875.db2.gz PFTAEBYQTYAIER-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]([N@@H+](C)C/C=C/Cl)C1 ZINC001480735185 937943225 /nfs/dbraw/zinc/94/32/25/937943225.db2.gz RCOOEPLFAUJEDR-DNGMOHDESA-N 1 1 284.831 3.018 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H]1CCCNC(=O)C1=CCCC1 ZINC001480821355 937944939 /nfs/dbraw/zinc/94/49/39/937944939.db2.gz WJEHGKHDMZXTLO-HNNXBMFYSA-N 1 1 296.842 3.210 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)/C=C\C(C)(C)C ZINC001480819290 937945136 /nfs/dbraw/zinc/94/51/36/937945136.db2.gz TYVMGWHIYJZSOE-WOLCWHLNSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CC[N@@H+](CCC)CCNC(=O)[C@@H]1CCCC12CC2 ZINC001493299468 937949136 /nfs/dbraw/zinc/94/91/36/937949136.db2.gz QFZFPCZNCQJVOP-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C#CC[N@@H+](CCC)CCNC(=O)C[C@H]1CCCCC1(C)C ZINC001493337617 937949740 /nfs/dbraw/zinc/94/97/40/937949740.db2.gz ULCJYVCULFAEOK-MRXNPFEDSA-N 1 1 292.467 3.054 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H](C)C(C)C)C1 ZINC001493968923 937952350 /nfs/dbraw/zinc/95/23/50/937952350.db2.gz MWGSAOGPCLLKBC-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H](C)CCC)C1 ZINC001493943356 937952384 /nfs/dbraw/zinc/95/23/84/937952384.db2.gz YBQAGTJRHDGTGJ-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H](C)C2CC2)C1 ZINC001493946162 937952569 /nfs/dbraw/zinc/95/25/69/937952569.db2.gz FNGQMMUTSCVLSU-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NCC[C@@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001494043606 937953053 /nfs/dbraw/zinc/95/30/53/937953053.db2.gz SLBSDODYCZNLMK-DLBZAZTESA-N 1 1 292.467 3.383 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](CCNC(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001494057662 937953153 /nfs/dbraw/zinc/95/31/53/937953153.db2.gz DQUXPGDZQDBFNU-JKSUJKDBSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)CC2=CCCCC2)C1 ZINC001494119606 937953356 /nfs/dbraw/zinc/95/33/56/937953356.db2.gz LITDWKYQTZFMCJ-QGZVFWFLSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001494285056 937954053 /nfs/dbraw/zinc/95/40/53/937954053.db2.gz NICCZMOMPVGGDX-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CC[N@H+](C)CC1CCN(C(=O)C2=CCCCCC2)CC1 ZINC001494193144 937954112 /nfs/dbraw/zinc/95/41/12/937954112.db2.gz WMJQPFKOXHSYRN-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC(C)(C)C1 ZINC001494668578 937955629 /nfs/dbraw/zinc/95/56/29/937955629.db2.gz QQVSTWWBHPLBPB-JYJNAYRXSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CCC(=O)N(C)[C@@H]1CC[N@H+](CC/C=C/CC)C1 ZINC001494826210 937956570 /nfs/dbraw/zinc/95/65/70/937956570.db2.gz WLLONPDKPDPWJZ-FYCOFBDGSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C2CC3(CC3)C2)C1 ZINC001494853410 937956725 /nfs/dbraw/zinc/95/67/25/937956725.db2.gz FBIOYIYJXCUQPK-GDBMZVCRSA-N 1 1 290.451 3.064 20 30 CGEDMO CCCCCCCCC(=O)N(C)[C@H]1CC[N@@H+](CC)C1 ZINC001494864759 937956817 /nfs/dbraw/zinc/95/68/17/937956817.db2.gz VCJAOTTVICHVNF-HNNXBMFYSA-N 1 1 268.445 3.290 20 30 CGEDMO C=C(C)CCC(=O)N(CC)[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001494899445 937957290 /nfs/dbraw/zinc/95/72/90/937957290.db2.gz FPJRPZJUMAGMAM-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC001496509670 937962868 /nfs/dbraw/zinc/96/28/68/937962868.db2.gz WVWZZOYTGJXXFF-IAGOWNOFSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(CCC)CC3)CC[C@H]21 ZINC001496865712 937964550 /nfs/dbraw/zinc/96/45/50/937964550.db2.gz YNARAWXNXBOKEE-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)/C=C/C(C)(C)C)CC[C@H]21 ZINC001496860043 937964617 /nfs/dbraw/zinc/96/46/17/937964617.db2.gz SMQHTZSEYWSYOB-XKQHDHNFSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)sc1C ZINC001499014377 937971813 /nfs/dbraw/zinc/97/18/13/937971813.db2.gz DQGCSBNSUKIGRL-AWEZNQCLSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]1CNC(=O)C(C)=C1CCC1 ZINC001498973129 937971931 /nfs/dbraw/zinc/97/19/31/937971931.db2.gz ISKBZIJGXQRWJM-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)C(C)=C1CCCC1 ZINC001498962284 937971962 /nfs/dbraw/zinc/97/19/62/937971962.db2.gz VVVQNSCSKQOQPR-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC12CCC2 ZINC001499071836 937972456 /nfs/dbraw/zinc/97/24/56/937972456.db2.gz KVYNMJNTDQPGEF-HZPDHXFCSA-N 1 1 292.467 3.338 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC(C)(C)CC ZINC001499506676 937973653 /nfs/dbraw/zinc/97/36/53/937973653.db2.gz JYJXFHXXGPJGRS-CVEARBPZSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C1CC(C)(C(=O)N(C)C2C[NH+](CC/C=C\CCC)C2)C1 ZINC001499744425 937974572 /nfs/dbraw/zinc/97/45/72/937974572.db2.gz MXKPHCJADGEULM-FPLPWBNLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)CCC2CCC2)CC1 ZINC001499976164 937975473 /nfs/dbraw/zinc/97/54/73/937975473.db2.gz SEHKTWGQSAAXGD-UHFFFAOYSA-N 1 1 298.858 3.290 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC(C)C ZINC001501372791 937979238 /nfs/dbraw/zinc/97/92/38/937979238.db2.gz DEMNMIRWSAMQPJ-IRXDYDNUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCC2(CC2)C1 ZINC001502246622 937981903 /nfs/dbraw/zinc/98/19/03/937981903.db2.gz YLWHLHLOYHHEDE-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)[C@]1(C)CCC[C@H]1C ZINC001502371172 937982078 /nfs/dbraw/zinc/98/20/78/937982078.db2.gz BVQXUCZGIIXZDH-NVXWUHKLSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[N@H+](C)CCCN(C)C(=O)c1c[nH]c2ccc(C)cc21 ZINC001502401304 937982348 /nfs/dbraw/zinc/98/23/48/937982348.db2.gz KOJFXCZFESTUNY-UHFFFAOYSA-N 1 1 299.418 3.056 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@H+](CC(C)C)CC1(C)C ZINC001502832347 937983409 /nfs/dbraw/zinc/98/34/09/937983409.db2.gz PMKFJWBPXWZZJY-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)c2coc(C)c2)C[C@@H]1C ZINC001502910382 937983814 /nfs/dbraw/zinc/98/38/14/937983814.db2.gz LQIZURHQJLZELV-BBRMVZONSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CC[N@H+](CC)CC1CCN(C(=O)[C@](C)(C=C)CC)CC1 ZINC001505398347 937984840 /nfs/dbraw/zinc/98/48/40/937984840.db2.gz FKULSLCBFOWYBR-GOSISDBHSA-N 1 1 292.467 3.335 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]1C[N@H+](C)CCCC ZINC001505445227 937985365 /nfs/dbraw/zinc/98/53/65/937985365.db2.gz QRQJJBCWSJIEQG-RDJZCZTQSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)C1CCCCC1 ZINC001506016486 937988744 /nfs/dbraw/zinc/98/87/44/937988744.db2.gz CIMLSYUEZRJNIZ-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](CC)CC(C)C ZINC001506034877 937988966 /nfs/dbraw/zinc/98/89/66/937988966.db2.gz YGVLZWLAKJRKAQ-GJZGRUSLSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)C[C@H]2C=CCC2)CC1 ZINC001506954147 937992955 /nfs/dbraw/zinc/99/29/55/937992955.db2.gz QTMBXOYIPMVPJM-INIZCTEOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H](C)CC)CCC[C@H]12 ZINC001507333113 937995011 /nfs/dbraw/zinc/99/50/11/937995011.db2.gz BOHIJDIHEVBIEJ-HLLBOEOZSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CCC[N@H+](CCCC)[C@@H]1C ZINC001507382733 937995444 /nfs/dbraw/zinc/99/54/44/937995444.db2.gz MTZCMIVFYPKDGV-CABCVRRESA-N 1 1 266.429 3.112 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](CCC(=C)C)[C@H]1C ZINC001507381911 937995710 /nfs/dbraw/zinc/99/57/10/937995710.db2.gz KQGWMNRSSRMICB-GJZGRUSLSA-N 1 1 278.440 3.134 20 30 CGEDMO C#CC[N@H+](C)CCN(C(=O)[C@@H]1CCC[C@H]1CCC)C(C)C ZINC001507812970 937996875 /nfs/dbraw/zinc/99/68/75/937996875.db2.gz JHRFBOCKJVCVKF-IAGOWNOFSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CNC(=O)[C@@H](C)C2CCC2)CC1 ZINC001508209669 937998755 /nfs/dbraw/zinc/99/87/55/937998755.db2.gz YLBYLDBEGMVTKQ-HNNXBMFYSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCOc1ccc(OC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1 ZINC001530874577 938079869 /nfs/dbraw/zinc/07/98/69/938079869.db2.gz DQQHJNLWTXSJGA-MRXNPFEDSA-N 1 1 289.375 3.030 20 30 CGEDMO C=CCOc1ccc(OC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001530874577 938079870 /nfs/dbraw/zinc/07/98/70/938079870.db2.gz DQQHJNLWTXSJGA-MRXNPFEDSA-N 1 1 289.375 3.030 20 30 CGEDMO C=CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001532545298 938087043 /nfs/dbraw/zinc/08/70/43/938087043.db2.gz MLHBBTYTQWNJSP-INIZCTEOSA-N 1 1 272.392 3.078 20 30 CGEDMO C=CC[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CCC)C1 ZINC001557407879 938209895 /nfs/dbraw/zinc/20/98/95/938209895.db2.gz UHGSXIIKHXVGQZ-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)Cc1ccncc1F ZINC001559514221 938228166 /nfs/dbraw/zinc/22/81/66/938228166.db2.gz VNIGRMCKABXANF-UHFFFAOYSA-N 1 1 270.351 3.451 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccncc1F ZINC001559514221 938228167 /nfs/dbraw/zinc/22/81/67/938228167.db2.gz VNIGRMCKABXANF-UHFFFAOYSA-N 1 1 270.351 3.451 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@H+](CC)C[C@H](C)CC)cc1 ZINC001559579747 938230242 /nfs/dbraw/zinc/23/02/42/938230242.db2.gz QHHZMJRVTJLHDQ-OAHLLOKOSA-N 1 1 286.419 3.365 20 30 CGEDMO C=C(C)CC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C ZINC001559690061 938232819 /nfs/dbraw/zinc/23/28/19/938232819.db2.gz DRGCZKKRLCULTR-UONOGXRCSA-N 1 1 282.428 3.282 20 30 CGEDMO C=CC[C@@H]([NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2)C(=O)OC ZINC001559777452 938235463 /nfs/dbraw/zinc/23/54/63/938235463.db2.gz QQVDKVNFWDYMMY-ZHGJIWRESA-N 1 1 291.435 3.299 20 30 CGEDMO CCCCCCCC[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC001559783358 938235726 /nfs/dbraw/zinc/23/57/26/938235726.db2.gz NYQQUYKSUVTZRO-GOSISDBHSA-N 1 1 296.499 3.391 20 30 CGEDMO C=C(C)C[N@H+](C/C=C/C(=O)OCC)Cc1ccccc1 ZINC001559807558 938236415 /nfs/dbraw/zinc/23/64/15/938236415.db2.gz HSGVKSRUZPUJLV-DHZHZOJOSA-N 1 1 273.376 3.184 20 30 CGEDMO C[N@@H+](CC#Cc1cccc(Cl)c1)[C@H](CO)CC(C)(C)C ZINC001559839465 938236806 /nfs/dbraw/zinc/23/68/06/938236806.db2.gz DBOWXUCKTFZXPD-INIZCTEOSA-N 1 1 293.838 3.420 20 30 CGEDMO CC#CC[N@H+]1CCC[C@H]1Cc1ccccc1Br ZINC001559922468 938239049 /nfs/dbraw/zinc/23/90/49/938239049.db2.gz IJMXKAXXXATWIM-AWEZNQCLSA-N 1 1 292.220 3.479 20 30 CGEDMO C=C(CC)CN1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC001559979192 938240512 /nfs/dbraw/zinc/24/05/12/938240512.db2.gz TWJFXDLTGWTRSZ-GOSISDBHSA-N 1 1 272.436 3.201 20 30 CGEDMO C=C(CC)C[N@@H+]1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC001559979192 938240513 /nfs/dbraw/zinc/24/05/13/938240513.db2.gz TWJFXDLTGWTRSZ-GOSISDBHSA-N 1 1 272.436 3.201 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC001559979192 938240514 /nfs/dbraw/zinc/24/05/14/938240514.db2.gz TWJFXDLTGWTRSZ-GOSISDBHSA-N 1 1 272.436 3.201 20 30 CGEDMO C#CCC[N@H+](CCOC)C[C@H]1CCCCC1(C)C ZINC001560023791 938241731 /nfs/dbraw/zinc/24/17/31/938241731.db2.gz LOTBADRIDPLMAT-OAHLLOKOSA-N 1 1 251.414 3.175 20 30 CGEDMO CC#CC[N@H+]([C@@H](C)COC)[C@@H]1CCc2ccccc21 ZINC001560045880 938242677 /nfs/dbraw/zinc/24/26/77/938242677.db2.gz VGCJUFAOMDDLLV-WMLDXEAASA-N 1 1 257.377 3.034 20 30 CGEDMO CO[C@@H]1CC[C@H](C)[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001560063895 938242931 /nfs/dbraw/zinc/24/29/31/938242931.db2.gz LJXIAAGKDLTXRZ-XJKSGUPXSA-N 1 1 277.795 3.191 20 30 CGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2C[C@@H](C3CC3)C[C@H]2C2CC2)cc1 ZINC001560188335 938246604 /nfs/dbraw/zinc/24/66/04/938246604.db2.gz ZGISQWRCPMNCPS-FHWLQOOXSA-N 1 1 296.414 3.102 20 30 CGEDMO CCCCCCC[N@H+]1CCOC[C@H]1CC1CCOCC1 ZINC001560204020 938247167 /nfs/dbraw/zinc/24/71/67/938247167.db2.gz VJXIBXPHCLPSAV-QGZVFWFLSA-N 1 1 283.456 3.474 20 30 CGEDMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1cc(C#N)ccc1N(C)C ZINC001560889942 938281941 /nfs/dbraw/zinc/28/19/41/938281941.db2.gz WKTFPWSGRPLFIV-CYBMUJFWSA-N 1 1 271.408 3.245 20 30 CGEDMO C=C(C)C[C@@H]([NH2+][C@H](CC)CCCC)C(=O)OCC ZINC001560987067 938288235 /nfs/dbraw/zinc/28/82/35/938288235.db2.gz PRZGCNWSFREOBP-ZIAGYGMSSA-N 1 1 255.402 3.443 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2nccc3c2CCCC3)c(F)c1 ZINC000921699240 957831210 /nfs/dbraw/zinc/83/12/10/957831210.db2.gz XRKSWBORNLAVCQ-UHFFFAOYSA-N 1 1 295.361 3.261 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)CCC)C1 ZINC001494809070 957851507 /nfs/dbraw/zinc/85/15/07/957851507.db2.gz USRMGAXVXLUUML-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO CCc1cc(NC23CCC(C#N)(CC2)CC3)nc(C)[nH+]1 ZINC001158785456 958831924 /nfs/dbraw/zinc/83/19/24/958831924.db2.gz XLPOVYNTQIJSCL-UHFFFAOYSA-N 1 1 270.380 3.376 20 30 CGEDMO C#CC[N@H+]([C@@H]1CCc2ccccc21)C1CCN(CCC)CC1 ZINC001258775235 960428135 /nfs/dbraw/zinc/42/81/35/960428135.db2.gz GIHFMZFLYWSGJG-HXUWFJFHSA-N 1 1 296.458 3.484 20 30 CGEDMO C#CC[N@@H+]([C@@H]1CCc2ccccc21)C1CCN(CCC)CC1 ZINC001258775235 960428139 /nfs/dbraw/zinc/42/81/39/960428139.db2.gz GIHFMZFLYWSGJG-HXUWFJFHSA-N 1 1 296.458 3.484 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)C1(C)CCCCC1 ZINC001570734196 960458520 /nfs/dbraw/zinc/45/85/20/960458520.db2.gz OWRNEPKBROVBRO-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)Cc1ccsc1C ZINC001570740659 960462670 /nfs/dbraw/zinc/46/26/70/960462670.db2.gz TUKSSJFJLIJZST-ZDUSSCGKSA-N 1 1 294.464 3.002 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[N@H+](C)Cc1ccc(Cl)cc1 ZINC001567297136 960581473 /nfs/dbraw/zinc/58/14/73/960581473.db2.gz LZGZWFFIHQRJME-UHFFFAOYSA-N 1 1 294.826 3.100 20 30 CGEDMO C=C[C@H](CC)CC(=O)N(C)C[C@H]1CC[N@H+]1CCC(C)C ZINC001565825444 960587475 /nfs/dbraw/zinc/58/74/75/960587475.db2.gz VCLUZAHZVHZDJA-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](F)CC1CCCCC1 ZINC001565831283 960589371 /nfs/dbraw/zinc/58/93/71/960589371.db2.gz DOCZGAXKILJRTF-CVEARBPZSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](F)CC1CCCCC1 ZINC001565831283 960589387 /nfs/dbraw/zinc/58/93/87/960589387.db2.gz DOCZGAXKILJRTF-CVEARBPZSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H]1CNC(=O)C1(C)CC1 ZINC001567364168 960593456 /nfs/dbraw/zinc/59/34/56/960593456.db2.gz BYHZZMAJNNCYEF-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCCCCCCNC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC001564883486 960701143 /nfs/dbraw/zinc/70/11/43/960701143.db2.gz GPHFRCRJXJNCLZ-MRXNPFEDSA-N 1 1 295.471 3.249 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CCCC2CC2)[C@H]1CC ZINC001566020784 960861990 /nfs/dbraw/zinc/86/19/90/960861990.db2.gz SELYTCGDEIPCGQ-JKSUJKDBSA-N 1 1 278.440 3.112 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](NC(=O)CC(C)(C)CC)CC(C)(C)C1 ZINC001566130218 960890759 /nfs/dbraw/zinc/89/07/59/960890759.db2.gz SBBHSSMCKJIWIC-HNNXBMFYSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCNC(=O)[C@H](C)c1cccs1 ZINC001566491100 960937494 /nfs/dbraw/zinc/93/74/94/960937494.db2.gz NJRXBLVUKYGADN-CQSZACIVSA-N 1 1 294.464 3.256 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCNC(=O)[C@H]1CCC[C@@H]1CC ZINC001566488459 960942093 /nfs/dbraw/zinc/94/20/93/960942093.db2.gz RRGIAZFYTVGWTM-KBPBESRZSA-N 1 1 286.847 3.003 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCNC(=O)[C@H]1CCC[C@@H]1CC ZINC001566488459 960942105 /nfs/dbraw/zinc/94/21/05/960942105.db2.gz RRGIAZFYTVGWTM-KBPBESRZSA-N 1 1 286.847 3.003 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C(CC)(CC)CC)C1 ZINC001566631344 960970513 /nfs/dbraw/zinc/97/05/13/960970513.db2.gz RQVNFNYSWSODDK-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC2(C)C)C1 ZINC001566659987 960979650 /nfs/dbraw/zinc/97/96/50/960979650.db2.gz HRINKNWVRNFDCR-CABCVRRESA-N 1 1 280.456 3.193 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)CC(C)C)C1 ZINC001566677158 960986435 /nfs/dbraw/zinc/98/64/35/960986435.db2.gz DWPOYHDDLPXDHV-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H](C[N@H+](C)C[C@@H](C)CC)C1 ZINC001566736409 960992586 /nfs/dbraw/zinc/99/25/86/960992586.db2.gz PUYDSBSGJYGDKG-JKSUJKDBSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C(C)C)C1 ZINC001566873423 961034767 /nfs/dbraw/zinc/03/47/67/961034767.db2.gz FOIYDRQDUAYLGS-HNNXBMFYSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)CCC2CCC2)C1 ZINC001566870403 961040068 /nfs/dbraw/zinc/04/00/68/961040068.db2.gz ZETFLEUQTFHFQY-OAHLLOKOSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)CCC2CCC2)C1 ZINC001566870403 961040087 /nfs/dbraw/zinc/04/00/87/961040087.db2.gz ZETFLEUQTFHFQY-OAHLLOKOSA-N 1 1 298.858 3.147 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1coc(C)c1 ZINC001566920600 961066328 /nfs/dbraw/zinc/06/63/28/961066328.db2.gz WOLBFCXKTKLGLV-MRXNPFEDSA-N 1 1 290.407 3.139 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H](C)[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001566963634 961075289 /nfs/dbraw/zinc/07/52/89/961075289.db2.gz XDDAUZLQDZZOBU-CABCVRRESA-N 1 1 280.456 3.071 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@@H]([N@H+](C)C[C@@H](F)CC)C2)C1 ZINC001567198366 961142006 /nfs/dbraw/zinc/14/20/06/961142006.db2.gz GVWOHANKOXRXKW-LSDHHAIUSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1CCCNC(=O)CCC ZINC001567243677 961152848 /nfs/dbraw/zinc/15/28/48/961152848.db2.gz OLAAAPVHTMCQNN-HNNXBMFYSA-N 1 1 266.429 3.114 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCCC[C@H]1CCC[N@@H+]1CCC ZINC001567260967 961153890 /nfs/dbraw/zinc/15/38/90/961153890.db2.gz FIGCYXMRCAAIRC-RDJZCZTQSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)CC(C)=C(C)C ZINC001567297046 961255365 /nfs/dbraw/zinc/25/53/65/961255365.db2.gz IVJVKLYXLFPGQV-OAHLLOKOSA-N 1 1 266.429 3.136 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)c1cscc1C ZINC001567329829 961292254 /nfs/dbraw/zinc/29/22/54/961292254.db2.gz SZBIQSFNRUNAOR-UHFFFAOYSA-N 1 1 280.437 3.074 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)CCC(C)(C)C ZINC001567383501 961310478 /nfs/dbraw/zinc/31/04/78/961310478.db2.gz SXEJXYMTSIDQET-HOTGVXAUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C=C)c1ccccc1 ZINC001567391463 961325269 /nfs/dbraw/zinc/32/52/69/961325269.db2.gz PLOQPLBTDOOIKZ-QZTJIDSGSA-N 1 1 298.430 3.113 20 30 CGEDMO C=C1CCC(C(=O)NCC[N@@H+](C/C=C\Cl)C2CC2)CC1 ZINC001567448417 961350187 /nfs/dbraw/zinc/35/01/87/961350187.db2.gz ALXHRTFXOLDXJM-MBXJOHMKSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C1CCC(C(=O)NCC[N@H+](C/C=C\Cl)C2CC2)CC1 ZINC001567448417 961350198 /nfs/dbraw/zinc/35/01/98/961350198.db2.gz ALXHRTFXOLDXJM-MBXJOHMKSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CC[N@@H+](CCNC(=O)c1ccc2c(c1)CCC=C2)C1CC1 ZINC001567453632 961355090 /nfs/dbraw/zinc/35/50/90/961355090.db2.gz MDWCULBTCDHKCN-UHFFFAOYSA-N 1 1 296.414 3.026 20 30 CGEDMO C#CCC[N@H+](CCCNC(=O)[C@@H]1CCCC1(C)C)C(C)C ZINC001567647177 961380855 /nfs/dbraw/zinc/38/08/55/961380855.db2.gz DSFHOJOYVHQQGE-INIZCTEOSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CC[N@H+](CCCNC(=O)[C@@H]1CCCC[C@H]1CC)C(C)C ZINC001567651762 961383853 /nfs/dbraw/zinc/38/38/53/961383853.db2.gz XEIFAQBJNXQQCR-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(Cl)C[N@H+](CCCNC(=O)CC(C)(C)C)C(C)C ZINC001567636426 961386571 /nfs/dbraw/zinc/38/65/71/961386571.db2.gz FAAOZIQWVSZOJK-UHFFFAOYSA-N 1 1 288.863 3.392 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)C=C2CCCCC2)C1 ZINC001567678998 961399402 /nfs/dbraw/zinc/39/94/02/961399402.db2.gz NRPBMARJMAGWQD-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](C)CCC)C1 ZINC001567696499 961406728 /nfs/dbraw/zinc/40/67/28/961406728.db2.gz OEAXKCVICISQAY-JKSUJKDBSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC001567723621 961413391 /nfs/dbraw/zinc/41/33/91/961413391.db2.gz ZAKGBYSEGXCGIL-IAGOWNOFSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@H+](C)CC1CCN(C(=O)C(C)(C)C(C)C)CC1 ZINC001567746420 961416082 /nfs/dbraw/zinc/41/60/82/961416082.db2.gz DNKBZEIZPCELDN-UHFFFAOYSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCN(C(=O)c2coc3ccccc32)C1 ZINC001567745489 961417025 /nfs/dbraw/zinc/41/70/25/961417025.db2.gz QTXFTDVQTOKJIT-AWEZNQCLSA-N 1 1 298.386 3.013 20 30 CGEDMO C=CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCC1CCC1 ZINC001567861174 961442578 /nfs/dbraw/zinc/44/25/78/961442578.db2.gz LYDFVAIARFQIAR-IRXDYDNUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)c2coc(C)c2)C1 ZINC001567935390 961460604 /nfs/dbraw/zinc/46/06/04/961460604.db2.gz GBOUHLCZZUBFCQ-INIZCTEOSA-N 1 1 290.407 3.091 20 30 CGEDMO C#CCCCC(=O)N(CC)[C@H]1CC[N@@H+](CCCC(C)C)C1 ZINC001567936838 961463884 /nfs/dbraw/zinc/46/38/84/961463884.db2.gz YRARNKKZTAFAPP-KRWDZBQOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2CC)C1 ZINC001567922449 961467558 /nfs/dbraw/zinc/46/75/58/961467558.db2.gz RVCYYQSIVCYRQB-IXDOHACOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC(=O)N(C)CC[N@@H+](C)Cc1c(C)cccc1C ZINC001568476104 961597888 /nfs/dbraw/zinc/59/78/88/961597888.db2.gz OYNRJVKQYFTZHE-UHFFFAOYSA-N 1 1 288.435 3.160 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C)cc1 ZINC001569381176 961757079 /nfs/dbraw/zinc/75/70/79/961757079.db2.gz JZCWKJMKJFHUFQ-NVXWUHKLSA-N 1 1 286.419 3.154 20 30 CGEDMO C=C1CCC(C(=O)N(C)C2C[NH+](CCCCCF)C2)CC1 ZINC001569498787 961775312 /nfs/dbraw/zinc/77/53/12/961775312.db2.gz VNBKNVOADCERSZ-UHFFFAOYSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@H](C=C)CC)C2)C1 ZINC001569466564 961778113 /nfs/dbraw/zinc/77/81/13/961778113.db2.gz CHHKIHYIVXCPIQ-SJLPKXTDSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@@]2(CC[N@H+](CCCC)C2)C1 ZINC001569474619 961778311 /nfs/dbraw/zinc/77/83/11/961778311.db2.gz MTTFNYGNFJLKML-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C#CCCCC(=O)N(C)C1C[NH+]([C@@H](C)c2cccc(C)c2)C1 ZINC001569489714 961779774 /nfs/dbraw/zinc/77/97/74/961779774.db2.gz FOUFXZHMYBQSSS-INIZCTEOSA-N 1 1 298.430 3.002 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)CCCF)C2)C1 ZINC001569467206 961780666 /nfs/dbraw/zinc/78/06/66/961780666.db2.gz LMNLDNOGPZOQFZ-QGZVFWFLSA-N 1 1 296.430 3.017 20 30 CGEDMO C#CCCCCC(=O)N[C@@]1(C)CC[N@H+]([C@@H](C)CCC=C)C1 ZINC001569635360 961808442 /nfs/dbraw/zinc/80/84/42/961808442.db2.gz KAXBHEYBCGZUTI-WMZOPIPTSA-N 1 1 290.451 3.115 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@](C)(CNC(=O)CCCF)C1 ZINC001569718857 961830982 /nfs/dbraw/zinc/83/09/82/961830982.db2.gz BCGLSXNPYREVKI-RDJZCZTQSA-N 1 1 298.446 3.309 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(C)=O)C2 ZINC001570271883 961943496 /nfs/dbraw/zinc/94/34/96/961943496.db2.gz QASFPRLFLBJYNX-KRWDZBQOSA-N 1 1 278.440 3.067 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC1CCN(C(=O)c2ccoc2)CC1 ZINC001570499964 961978380 /nfs/dbraw/zinc/97/83/80/961978380.db2.gz HZSYCBXDFFXNTK-UHFFFAOYSA-N 1 1 290.407 3.030 20 30 CGEDMO CC(C)CC[N@@H+](C)C[C@H]1CCCN1C(=O)C#CC(C)(C)C ZINC001570530340 961982998 /nfs/dbraw/zinc/98/29/98/961982998.db2.gz JIKNDCBVAOAYCF-MRXNPFEDSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)C[C@H](C)CC ZINC001570537886 961989180 /nfs/dbraw/zinc/98/91/80/961989180.db2.gz IQLVJEOAWQTPGS-HUUCEWRRSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C/C(C)=C/CC(=O)N1CCC[C@H]1C[N@@H+](C)CC(=C)Cl ZINC001570539069 961990830 /nfs/dbraw/zinc/99/08/30/961990830.db2.gz XHPYJBQQPNXDDI-NRUITVPNSA-N 1 1 296.842 3.184 20 30 CGEDMO C=C/C(C)=C/CC(=O)N1CCC[C@H]1C[N@H+](C)CC(=C)Cl ZINC001570539069 961990849 /nfs/dbraw/zinc/99/08/49/961990849.db2.gz XHPYJBQQPNXDDI-NRUITVPNSA-N 1 1 296.842 3.184 20 30 CGEDMO C=CCCCC(=O)NC[C@H](C)[N@@H+](C)CC1CC2(CCC2)C1 ZINC001570732591 962056472 /nfs/dbraw/zinc/05/64/72/962056472.db2.gz WSMFLRRVNUFKSE-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)c1cc2occc2s1 ZINC001570736359 962066974 /nfs/dbraw/zinc/06/69/74/962066974.db2.gz WCWYHEHZUZMRCV-LLVKDONJSA-N 1 1 292.404 3.121 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1C[N@@H+](CC=C(C)C)CC1(C)C ZINC001570897416 962104445 /nfs/dbraw/zinc/10/44/45/962104445.db2.gz QTHZYWLBHIYLDB-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC2CCC2)CC1(C)C ZINC001570904128 962107462 /nfs/dbraw/zinc/10/74/62/962107462.db2.gz BWVXPZTXJTUHNH-OAHLLOKOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)[C@H](CCC)C(C)C)C2)C1 ZINC001571043992 962120996 /nfs/dbraw/zinc/12/09/96/962120996.db2.gz QNRQMJCLNLQMFQ-MRXNPFEDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC([N@H+](C)CC[C@H](C)F)CC1 ZINC001571330928 962132880 /nfs/dbraw/zinc/13/28/80/962132880.db2.gz BPNXZLCQTXMRFQ-AWEZNQCLSA-N 1 1 298.446 3.260 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C(CC)CC)[C@@H]1C ZINC001571515098 962168402 /nfs/dbraw/zinc/16/84/02/962168402.db2.gz OBYBPMSTCCYLKE-HOCLYGCPSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)/C(C)=C/CC)CCC[C@H]12 ZINC001571497806 962170650 /nfs/dbraw/zinc/17/06/50/962170650.db2.gz WCPZBLPGUYCGIG-ATYMYXMCSA-N 1 1 296.842 3.208 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)/C(C)=C/CC)CCC[C@H]12 ZINC001571497806 962170657 /nfs/dbraw/zinc/17/06/57/962170657.db2.gz WCPZBLPGUYCGIG-ATYMYXMCSA-N 1 1 296.842 3.208 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)F)[C@@H]1C ZINC001571512761 962173996 /nfs/dbraw/zinc/17/39/96/962173996.db2.gz KNJGXIMQKFHTGB-GJZGRUSLSA-N 1 1 298.446 3.450 20 30 CGEDMO C=C[C@H](CC)CC(=O)NCC1=CC[N@@H+](CC[C@@H](C)F)CC1 ZINC001571693202 962206629 /nfs/dbraw/zinc/20/66/29/962206629.db2.gz QCYRUTPOPRATOV-HUUCEWRRSA-N 1 1 296.430 3.085 20 30 CGEDMO C=CC(C)(C)C(=O)NCC1=CC[N@@H+](CCCC(C)C)CC1 ZINC001571692256 962208272 /nfs/dbraw/zinc/20/82/72/962208272.db2.gz LFOMPLUNMGJJRZ-UHFFFAOYSA-N 1 1 292.467 3.383 20 30 CGEDMO CCCCCCCCCNC(=O)[C@@H]1[NH2+]CCc2occc21 ZINC001577430024 962544132 /nfs/dbraw/zinc/54/41/32/962544132.db2.gz JLAYKAXSRNIZDV-MRXNPFEDSA-N 1 1 292.423 3.333 20 30 CGEDMO C=CC[N@H+](Cc1c(C)cc(-c2nn[nH]n2)cc1C)C(C)(C)C ZINC001588635565 963291224 /nfs/dbraw/zinc/29/12/24/963291224.db2.gz OCRGFEVLYIKFLB-UHFFFAOYSA-N 1 1 299.422 3.270 20 30 CGEDMO C=CC[N@H+](Cc1cccc(-c2nn[nH]n2)c1)CC1CCCC1 ZINC001588649246 963299131 /nfs/dbraw/zinc/29/91/31/963299131.db2.gz XIWPNVDSHYNEDR-UHFFFAOYSA-N 1 1 297.406 3.045 20 30 CGEDMO CC[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000124950258 187162388 /nfs/dbraw/zinc/16/23/88/187162388.db2.gz LTZCNUWSOSMVEC-YJBOKZPZSA-N 1 1 285.435 3.425 20 30 CGEDMO CC[NH+](CC[C@@H]1CCC[N@H+]1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000124950258 187162389 /nfs/dbraw/zinc/16/23/89/187162389.db2.gz LTZCNUWSOSMVEC-YJBOKZPZSA-N 1 1 285.435 3.425 20 30 CGEDMO CCN(CC[C@@H]1CCC[N@@H+]1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000124950258 187162390 /nfs/dbraw/zinc/16/23/90/187162390.db2.gz LTZCNUWSOSMVEC-YJBOKZPZSA-N 1 1 285.435 3.425 20 30 CGEDMO CCN(CC[C@@H]1CCC[N@H+]1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000124950258 187162391 /nfs/dbraw/zinc/16/23/91/187162391.db2.gz LTZCNUWSOSMVEC-YJBOKZPZSA-N 1 1 285.435 3.425 20 30 CGEDMO CC[N@H+](CC[C@@H]1CCCN1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000124950258 187162392 /nfs/dbraw/zinc/16/23/92/187162392.db2.gz LTZCNUWSOSMVEC-YJBOKZPZSA-N 1 1 285.435 3.425 20 30 CGEDMO CC[N@@H+](CC[C@@H]1CCCN1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000124950258 187162393 /nfs/dbraw/zinc/16/23/93/187162393.db2.gz LTZCNUWSOSMVEC-YJBOKZPZSA-N 1 1 285.435 3.425 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3ccccn3)C2)c(F)c1 ZINC000590600043 346853668 /nfs/dbraw/zinc/85/36/68/346853668.db2.gz JOQLMWKIZFLLQI-MRXNPFEDSA-N 1 1 295.361 3.472 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H](c3ccccn3)C2)ccc1F ZINC000590602829 346854298 /nfs/dbraw/zinc/85/42/98/346854298.db2.gz YNPBQLVYUQCSNQ-OAHLLOKOSA-N 1 1 295.361 3.472 20 30 CGEDMO N#CC1(C[NH2+]Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000590653274 346859050 /nfs/dbraw/zinc/85/90/50/346859050.db2.gz GARGOGSYHQVPQB-UHFFFAOYSA-N 1 1 287.363 3.343 20 30 CGEDMO C=CCC[N@H+](C)Cc1cn(-c2cccc(C)c2)nc1C ZINC000651782317 398286658 /nfs/dbraw/zinc/28/66/58/398286658.db2.gz LURYDFRPCZEXMK-UHFFFAOYSA-N 1 1 269.392 3.497 20 30 CGEDMO C=CCOc1ccc(C[N@H+](CC)[C@@H]2CCCOC2)cc1 ZINC000651947952 398310211 /nfs/dbraw/zinc/31/02/11/398310211.db2.gz YGQFVRLFCIUMFA-MRXNPFEDSA-N 1 1 275.392 3.252 20 30 CGEDMO CCO[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2C)C[C@H]1C ZINC000590756879 346872304 /nfs/dbraw/zinc/87/23/04/346872304.db2.gz DLFHQFCWEWWNBX-RHSMWYFYSA-N 1 1 272.392 3.114 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](C3CCC3)C2)c(F)c1 ZINC000591061860 346897354 /nfs/dbraw/zinc/89/73/54/346897354.db2.gz KZAOAMYOIDUOMB-CQSZACIVSA-N 1 1 258.340 3.319 20 30 CGEDMO CC[C@H](NC[C@H]([NH3+])c1ccccc1)c1ccc(C#N)cc1 ZINC000423237335 529619049 /nfs/dbraw/zinc/61/90/49/529619049.db2.gz IHMAVFRVUOBFBR-ROUUACIJSA-N 1 1 279.387 3.299 20 30 CGEDMO Cc1ccnc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000591853005 346943102 /nfs/dbraw/zinc/94/31/02/346943102.db2.gz XDDFNMBEEPSRNF-CQSZACIVSA-N 1 1 265.360 3.455 20 30 CGEDMO N#Cc1cnccc1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000592056129 346958481 /nfs/dbraw/zinc/95/84/81/346958481.db2.gz WKMGBWKHBZGQFR-UHFFFAOYSA-N 1 1 291.398 3.408 20 30 CGEDMO N#Cc1cnccc1C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000592099758 346962215 /nfs/dbraw/zinc/96/22/15/346962215.db2.gz SZCYYZZZSZYNGO-KRWDZBQOSA-N 1 1 263.344 3.194 20 30 CGEDMO C[C@@]1(c2ccccc2)CC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592071784 346959870 /nfs/dbraw/zinc/95/98/70/346959870.db2.gz PUDIOXRCYCXYTH-GOSISDBHSA-N 1 1 277.371 3.117 20 30 CGEDMO N#CC[C@@]1(O)CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)C1 ZINC000592146848 346966843 /nfs/dbraw/zinc/96/68/43/346966843.db2.gz KWTNTDFYWAVGDD-LJQANCHMSA-N 1 1 292.382 3.204 20 30 CGEDMO Cc1cccc(C(C)(C)[NH2+]Cc2ccncc2C#N)c1 ZINC000592103173 346963565 /nfs/dbraw/zinc/96/35/65/346963565.db2.gz DCIPWYGDZFUWEO-UHFFFAOYSA-N 1 1 265.360 3.287 20 30 CGEDMO Cc1cccc([C@H](C)[NH2+]Cc2ccncc2C#N)c1C ZINC000592105287 346963610 /nfs/dbraw/zinc/96/36/10/346963610.db2.gz RRVMXUYUGCZZLS-AWEZNQCLSA-N 1 1 265.360 3.421 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCC[C@H]1CCOC1 ZINC000592126526 346965177 /nfs/dbraw/zinc/96/51/77/346965177.db2.gz WWRFBYZFMPDWTD-CABCVRRESA-N 1 1 272.392 3.368 20 30 CGEDMO C[C@H](Cc1cccc(F)c1)[N@H+](C)Cc1ccncc1C#N ZINC000592124963 346965199 /nfs/dbraw/zinc/96/51/99/346965199.db2.gz OOBUQBJECAGIAI-CYBMUJFWSA-N 1 1 283.350 3.155 20 30 CGEDMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)Cc1ccncc1C#N ZINC000592124963 346965202 /nfs/dbraw/zinc/96/52/02/346965202.db2.gz OOBUQBJECAGIAI-CYBMUJFWSA-N 1 1 283.350 3.155 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000592134848 346965774 /nfs/dbraw/zinc/96/57/74/346965774.db2.gz NNGWMYANCGSOEK-ROUUACIJSA-N 1 1 284.403 3.258 20 30 CGEDMO CC[N@H+](CC#Cc1ccc(Cl)cc1)CCSC ZINC000592200125 346971288 /nfs/dbraw/zinc/97/12/88/346971288.db2.gz KPWGRLYOULVSAJ-UHFFFAOYSA-N 1 1 267.825 3.376 20 30 CGEDMO C[C@@H](c1ccccn1)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000128090213 187350904 /nfs/dbraw/zinc/35/09/04/187350904.db2.gz VTSNUSROWMNVOF-AWEZNQCLSA-N 1 1 281.359 3.025 20 30 CGEDMO CC(C)Cn1nccc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000592498132 346993790 /nfs/dbraw/zinc/99/37/90/346993790.db2.gz YNSQFQCZZTWOGT-UHFFFAOYSA-N 1 1 282.391 3.043 20 30 CGEDMO CC(C)Cn1nccc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000592498132 346993794 /nfs/dbraw/zinc/99/37/94/346993794.db2.gz YNSQFQCZZTWOGT-UHFFFAOYSA-N 1 1 282.391 3.043 20 30 CGEDMO CC(C)[N@H+](Cc1cc2n(n1)CCC2)Cc1ccc(C#N)cc1 ZINC000593002060 347025719 /nfs/dbraw/zinc/02/57/19/347025719.db2.gz MAXGUJLRGOSFDK-UHFFFAOYSA-N 1 1 294.402 3.112 20 30 CGEDMO CC(C)[N@@H+](Cc1cc2n(n1)CCC2)Cc1ccc(C#N)cc1 ZINC000593002060 347025723 /nfs/dbraw/zinc/02/57/23/347025723.db2.gz MAXGUJLRGOSFDK-UHFFFAOYSA-N 1 1 294.402 3.112 20 30 CGEDMO CC[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@H](C)CO1 ZINC000593062631 347034550 /nfs/dbraw/zinc/03/45/50/347034550.db2.gz PPDRBNNIKWHJJG-GDBMZVCRSA-N 1 1 286.419 3.487 20 30 CGEDMO CC[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)[C@H](C)CO1 ZINC000593061376 347034210 /nfs/dbraw/zinc/03/42/10/347034210.db2.gz JSFVXJKNELERLJ-RHSMWYFYSA-N 1 1 286.419 3.487 20 30 CGEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1cnn(C(C)(C)C)c1 ZINC000330344045 530052242 /nfs/dbraw/zinc/05/22/42/530052242.db2.gz CMVWIDUXNYWFGW-CQSZACIVSA-N 1 1 292.427 3.491 20 30 CGEDMO CC[N@@H+](CCCNc1cnccc1C#N)C1CCCCC1 ZINC000593487687 347085745 /nfs/dbraw/zinc/08/57/45/347085745.db2.gz APZZOLCIKARCJN-UHFFFAOYSA-N 1 1 286.423 3.410 20 30 CGEDMO C[C@@H]([N@@H+](C)CCC(=O)Nc1cccc(C#N)c1)C(C)(C)C ZINC000042763917 344987284 /nfs/dbraw/zinc/98/72/84/344987284.db2.gz GMBUZNCUMGKQEG-CYBMUJFWSA-N 1 1 287.407 3.253 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1F ZINC000046528752 345040542 /nfs/dbraw/zinc/04/05/42/345040542.db2.gz LINLKUKMKRSCRW-UHFFFAOYSA-N 1 1 272.298 3.468 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1F ZINC000046528752 345040544 /nfs/dbraw/zinc/04/05/44/345040544.db2.gz LINLKUKMKRSCRW-UHFFFAOYSA-N 1 1 272.298 3.468 20 30 CGEDMO CCC[N@H+](Cc1cc(C)on1)Cc1ccc(C#N)cc1 ZINC000047740182 345055425 /nfs/dbraw/zinc/05/54/25/345055425.db2.gz QCQKYBYQMLEXMF-UHFFFAOYSA-N 1 1 269.348 3.267 20 30 CGEDMO CCC[N@@H+](Cc1cc(C)on1)Cc1ccc(C#N)cc1 ZINC000047740182 345055429 /nfs/dbraw/zinc/05/54/29/345055429.db2.gz QCQKYBYQMLEXMF-UHFFFAOYSA-N 1 1 269.348 3.267 20 30 CGEDMO CC[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000048058110 345059338 /nfs/dbraw/zinc/05/93/38/345059338.db2.gz VKJMFFHNJBGSIS-INIZCTEOSA-N 1 1 299.418 3.055 20 30 CGEDMO Cc1ccccc1OCC[N@H+](C)Cc1cccc(C#N)c1 ZINC000053421809 345120142 /nfs/dbraw/zinc/12/01/42/345120142.db2.gz SOIFDFNGDZBNBN-UHFFFAOYSA-N 1 1 280.371 3.378 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(OC(F)F)c(OCC)c1 ZINC000051706421 345092036 /nfs/dbraw/zinc/09/20/36/345092036.db2.gz ZWKIUVHKBOSYCW-UHFFFAOYSA-N 1 1 271.307 3.305 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1c(C)nn(-c2ccccc2)c1C ZINC000054183457 345130332 /nfs/dbraw/zinc/13/03/32/345130332.db2.gz BSLBAFIFTXPBRG-HNNXBMFYSA-N 1 1 282.391 3.271 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000054292393 345131819 /nfs/dbraw/zinc/13/18/19/345131819.db2.gz QUANGAFLPDGXRY-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)N(CC(C)C)CC(C)C ZINC000061758668 345233300 /nfs/dbraw/zinc/23/33/00/345233300.db2.gz MWMDERZDSLYMIF-UHFFFAOYSA-N 1 1 268.445 3.025 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000060365189 345214038 /nfs/dbraw/zinc/21/40/38/345214038.db2.gz JUZQBVYECUYDNJ-QGZVFWFLSA-N 1 1 286.419 3.124 20 30 CGEDMO C[C@@H](C#N)C[N@H+](C)[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000066468994 345296668 /nfs/dbraw/zinc/29/66/68/345296668.db2.gz RTCQYVLUDWPOOU-QWRGUYRKSA-N 1 1 268.307 3.440 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C)[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000066468994 345296670 /nfs/dbraw/zinc/29/66/70/345296670.db2.gz RTCQYVLUDWPOOU-QWRGUYRKSA-N 1 1 268.307 3.440 20 30 CGEDMO C[C@H](C#N)C[N@H+](C)[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000066468992 345296942 /nfs/dbraw/zinc/29/69/42/345296942.db2.gz RTCQYVLUDWPOOU-MNOVXSKESA-N 1 1 268.307 3.440 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C)[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000066468992 345296945 /nfs/dbraw/zinc/29/69/45/345296945.db2.gz RTCQYVLUDWPOOU-MNOVXSKESA-N 1 1 268.307 3.440 20 30 CGEDMO C[C@H](CC#N)[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000068609328 345356694 /nfs/dbraw/zinc/35/66/94/345356694.db2.gz KLALEICXANUWCA-CQSZACIVSA-N 1 1 281.359 3.052 20 30 CGEDMO CC(C)[N@@H+](Cc1ccccc1)Cc1ccnc(C#N)c1 ZINC000068765442 345361512 /nfs/dbraw/zinc/36/15/12/345361512.db2.gz ZVRZKPGRPIMQCY-UHFFFAOYSA-N 1 1 265.360 3.364 20 30 CGEDMO C[C@@H](c1cccs1)[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000068766198 345362226 /nfs/dbraw/zinc/36/22/26/345362226.db2.gz YANCGTQKMOMULL-NSHDSACASA-N 1 1 257.362 3.208 20 30 CGEDMO CC[C@H]1C[C@@H](C)C[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000072698321 345415888 /nfs/dbraw/zinc/41/58/88/345415888.db2.gz PODSTSMBOYMUNP-CJNGLKHVSA-N 1 1 285.391 3.007 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)Cc1sccc1C ZINC000073641699 345447467 /nfs/dbraw/zinc/44/74/67/345447467.db2.gz PPJXVKNSUTZBSZ-AWEZNQCLSA-N 1 1 294.464 3.301 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCCCNc1ccc(C#N)cn1 ZINC000076795388 345550217 /nfs/dbraw/zinc/55/02/17/345550217.db2.gz HQVCLUUSGOATAR-AWEZNQCLSA-N 1 1 272.396 3.020 20 30 CGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H]1C(C)C ZINC000077270952 345565488 /nfs/dbraw/zinc/56/54/88/345565488.db2.gz UGECYJPJNVDCQZ-HNNXBMFYSA-N 1 1 288.391 3.066 20 30 CGEDMO CC(C)[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C1CC1 ZINC000075609775 345514924 /nfs/dbraw/zinc/51/49/24/345514924.db2.gz ZNZWPGCYAXVHCJ-UHFFFAOYSA-N 1 1 291.782 3.023 20 30 CGEDMO CC[N@@H+](CCC#N)CCCOc1cccc(Cl)c1 ZINC000081040979 345697372 /nfs/dbraw/zinc/69/73/72/345697372.db2.gz JKCXJFLMHIWQGP-UHFFFAOYSA-N 1 1 266.772 3.344 20 30 CGEDMO CC[N@H+](CCC#N)CCCOc1cccc(Cl)c1 ZINC000081040979 345697374 /nfs/dbraw/zinc/69/73/74/345697374.db2.gz JKCXJFLMHIWQGP-UHFFFAOYSA-N 1 1 266.772 3.344 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@H](N2CCCC2)C1 ZINC000091508818 345817850 /nfs/dbraw/zinc/81/78/50/345817850.db2.gz AXYCOLISWTZFSD-CVEARBPZSA-N 1 1 250.430 3.291 20 30 CGEDMO C=CCCC[C@@H](C)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000091508818 345817854 /nfs/dbraw/zinc/81/78/54/345817854.db2.gz AXYCOLISWTZFSD-CVEARBPZSA-N 1 1 250.430 3.291 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](C(=O)OCC)C1 ZINC000091593416 345818635 /nfs/dbraw/zinc/81/86/35/345818635.db2.gz KPVASOFJUSTHIK-ZIAGYGMSSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000091633018 345820005 /nfs/dbraw/zinc/82/00/05/345820005.db2.gz TUUQQGMICSOKFU-ZMSDIMECSA-N 1 1 290.451 3.207 20 30 CGEDMO Cc1ncc([C@@H](C)[NH2+]Cc2cc(C#N)ccc2F)s1 ZINC000090117982 345784114 /nfs/dbraw/zinc/78/41/14/345784114.db2.gz RKAMGFZFUJKHBV-SECBINFHSA-N 1 1 275.352 3.313 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(F)cn1 ZINC000092746906 345855745 /nfs/dbraw/zinc/85/57/45/345855745.db2.gz CJPSEMIUUNOOHT-SNVBAGLBSA-N 1 1 273.286 3.082 20 30 CGEDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000093383485 345876341 /nfs/dbraw/zinc/87/63/41/345876341.db2.gz AQILYSJALLARSP-KMFMINBZSA-N 1 1 294.402 3.359 20 30 CGEDMO C[C@@H]1CC[C@H]([N@@H+](CCO)Cc2ccc(Cl)cc2C#N)C1 ZINC000351647765 219163153 /nfs/dbraw/zinc/16/31/53/219163153.db2.gz JPBCEKKMAHSWQZ-WBMJQRKESA-N 1 1 292.810 3.195 20 30 CGEDMO CCOC(=O)CC[C@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000161947791 346177253 /nfs/dbraw/zinc/17/72/53/346177253.db2.gz FJVJBDSPPKBMIP-OAHLLOKOSA-N 1 1 294.439 3.372 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCSC(C)(C)C1 ZINC000165509577 346184674 /nfs/dbraw/zinc/18/46/74/346184674.db2.gz BPZYUSMVFMCDRI-UHFFFAOYSA-N 1 1 260.406 3.194 20 30 CGEDMO C[C@H]1C[C@H](C)CN(C(C)(C)C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000237549424 346345877 /nfs/dbraw/zinc/34/58/77/346345877.db2.gz QNKYRLCAJFLXDJ-HOTGVXAUSA-N 1 1 299.462 3.404 20 30 CGEDMO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1CC1(CC#N)CC1 ZINC000302497967 346441572 /nfs/dbraw/zinc/44/15/72/346441572.db2.gz WIBDHMFNFCQHGA-JTQLQIEISA-N 1 1 260.303 3.343 20 30 CGEDMO CCOC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1C ZINC000313465211 346479800 /nfs/dbraw/zinc/47/98/00/346479800.db2.gz CNPFVDBWHMVAPA-KRWDZBQOSA-N 1 1 272.392 3.258 20 30 CGEDMO C=CCOc1ccc(C[NH2+]Cc2oc(C)nc2C)cc1 ZINC000380650735 346556885 /nfs/dbraw/zinc/55/68/85/346556885.db2.gz QAPWZJLGCYBIRB-UHFFFAOYSA-N 1 1 272.348 3.146 20 30 CGEDMO Cc1ccc(C[NH2+]CC2(C#N)CCCC2)cc1[N+](=O)[O-] ZINC000593649845 347099376 /nfs/dbraw/zinc/09/93/76/347099376.db2.gz KZGDVQAMXBHKKR-UHFFFAOYSA-N 1 1 273.336 3.077 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000397797307 346584953 /nfs/dbraw/zinc/58/49/53/346584953.db2.gz FCBQOIUZVZOZNR-GFCCVEGCSA-N 1 1 273.767 3.337 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000397797307 346584955 /nfs/dbraw/zinc/58/49/55/346584955.db2.gz FCBQOIUZVZOZNR-GFCCVEGCSA-N 1 1 273.767 3.337 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](CCCCC2CCOCC2)C1 ZINC000397854143 346585389 /nfs/dbraw/zinc/58/53/89/346585389.db2.gz SUFHSLQLDQVGPJ-INIZCTEOSA-N 1 1 264.413 3.209 20 30 CGEDMO C[N@@H+](Cc1ccsc1)Cc1ccc(CC#N)cc1 ZINC000398994047 346586809 /nfs/dbraw/zinc/58/68/09/346586809.db2.gz NZLSGPYUXUDFIY-UHFFFAOYSA-N 1 1 256.374 3.446 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](CCc2c(F)cccc2F)C1 ZINC000402937345 346595962 /nfs/dbraw/zinc/59/59/62/346595962.db2.gz MQFNXECXGIPUCK-LBPRGKRZSA-N 1 1 264.319 3.133 20 30 CGEDMO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1ccc(C#N)cc1C ZINC000403864204 346598296 /nfs/dbraw/zinc/59/82/96/346598296.db2.gz JOKWJIYKWYXLPA-SJORKVTESA-N 1 1 272.392 3.256 20 30 CGEDMO CC[C@@H]1COC(C)(C)C[N@H+]1CCCC(C)(C)C#N ZINC000403809313 346598300 /nfs/dbraw/zinc/59/83/00/346598300.db2.gz HAOPVJOTVIHWBK-CYBMUJFWSA-N 1 1 252.402 3.206 20 30 CGEDMO Cc1cc([C@@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)nn1C ZINC000585726466 346727989 /nfs/dbraw/zinc/72/79/89/346727989.db2.gz GQPPSRJQDSAOBM-LLVKDONJSA-N 1 1 288.782 3.104 20 30 CGEDMO C[N@@H+](CCCc1ccccc1)Cc1ccc(C#N)cn1 ZINC000584728535 346710133 /nfs/dbraw/zinc/71/01/33/346710133.db2.gz ONDIDASOKISHEB-UHFFFAOYSA-N 1 1 265.360 3.018 20 30 CGEDMO CN1CC[C@@H]2CC[N@@H+](Cc3ccc(C(C)(C)C#N)cc3)[C@H]2C1 ZINC000585781572 346729733 /nfs/dbraw/zinc/72/97/33/346729733.db2.gz SVRQDSNQSPHTMJ-AEFFLSMTSA-N 1 1 297.446 3.014 20 30 CGEDMO C[N@@H+]1CC[C@@H]2CCN(Cc3ccc(C(C)(C)C#N)cc3)[C@H]2C1 ZINC000585781572 346729735 /nfs/dbraw/zinc/72/97/35/346729735.db2.gz SVRQDSNQSPHTMJ-AEFFLSMTSA-N 1 1 297.446 3.014 20 30 CGEDMO C[N@H+]1CC[C@@H]2CCN(Cc3ccc(C(C)(C)C#N)cc3)[C@H]2C1 ZINC000585781572 346729739 /nfs/dbraw/zinc/72/97/39/346729739.db2.gz SVRQDSNQSPHTMJ-AEFFLSMTSA-N 1 1 297.446 3.014 20 30 CGEDMO CN1CC[C@H]2CC[N@@H+](Cc3ccc(C(C)(C)C#N)cc3)[C@@H]2C1 ZINC000585781573 346729864 /nfs/dbraw/zinc/72/98/64/346729864.db2.gz SVRQDSNQSPHTMJ-FUHWJXTLSA-N 1 1 297.446 3.014 20 30 CGEDMO C[N@@H+]1CC[C@H]2CCN(Cc3ccc(C(C)(C)C#N)cc3)[C@@H]2C1 ZINC000585781573 346729865 /nfs/dbraw/zinc/72/98/65/346729865.db2.gz SVRQDSNQSPHTMJ-FUHWJXTLSA-N 1 1 297.446 3.014 20 30 CGEDMO C[N@H+]1CC[C@H]2CCN(Cc3ccc(C(C)(C)C#N)cc3)[C@@H]2C1 ZINC000585781573 346729868 /nfs/dbraw/zinc/72/98/68/346729868.db2.gz SVRQDSNQSPHTMJ-FUHWJXTLSA-N 1 1 297.446 3.014 20 30 CGEDMO Cc1cnc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)s1 ZINC000594032842 347141147 /nfs/dbraw/zinc/14/11/47/347141147.db2.gz AKVIIAATWWWZCK-UHFFFAOYSA-N 1 1 283.400 3.492 20 30 CGEDMO C[N@@H+](Cc1cn2ccccc2c1C#N)CC(C)(C)C ZINC000339261206 215047923 /nfs/dbraw/zinc/04/79/23/215047923.db2.gz WCTYQKMJMFQPHD-UHFFFAOYSA-N 1 1 255.365 3.289 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@H]1CCN(C)C1 ZINC000594607001 347201594 /nfs/dbraw/zinc/20/15/94/347201594.db2.gz PNIPTAFVDSEULJ-SFHVURJKSA-N 1 1 299.462 3.404 20 30 CGEDMO CCCN(Cc1ccc(C(C)(C)C#N)cc1)[C@H]1CC[N@H+](C)C1 ZINC000594607001 347201595 /nfs/dbraw/zinc/20/15/95/347201595.db2.gz PNIPTAFVDSEULJ-SFHVURJKSA-N 1 1 299.462 3.404 20 30 CGEDMO CCCN(Cc1ccc(C(C)(C)C#N)cc1)[C@H]1CC[N@@H+](C)C1 ZINC000594607001 347201598 /nfs/dbraw/zinc/20/15/98/347201598.db2.gz PNIPTAFVDSEULJ-SFHVURJKSA-N 1 1 299.462 3.404 20 30 CGEDMO C[C@H]1C[N@H+](Cc2ccc(C#N)o2)CC2(CCCCC2)O1 ZINC000594613191 347203808 /nfs/dbraw/zinc/20/38/08/347203808.db2.gz ALZHTRQCYGLUOY-ZDUSSCGKSA-N 1 1 274.364 3.075 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)o2)CC2(CCCCC2)O1 ZINC000594613191 347203811 /nfs/dbraw/zinc/20/38/11/347203811.db2.gz ALZHTRQCYGLUOY-ZDUSSCGKSA-N 1 1 274.364 3.075 20 30 CGEDMO C[NH+](C)Cc1cc(NC(=O)CCCCC#N)ccc1Cl ZINC000594357071 347171694 /nfs/dbraw/zinc/17/16/94/347171694.db2.gz ZZBMAHLTTHSLOF-UHFFFAOYSA-N 1 1 293.798 3.424 20 30 CGEDMO C[C@H]1CCCC[N@@H+]1CCNCc1ccc(C(C)(C)C#N)cc1 ZINC000594496076 347178724 /nfs/dbraw/zinc/17/87/24/347178724.db2.gz ZEICZJQMMPHDCU-INIZCTEOSA-N 1 1 299.462 3.452 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCNCc1ccc(C(C)(C)C#N)cc1 ZINC000594496076 347178728 /nfs/dbraw/zinc/17/87/28/347178728.db2.gz ZEICZJQMMPHDCU-INIZCTEOSA-N 1 1 299.462 3.452 20 30 CGEDMO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)c2nccn21 ZINC000594508736 347182380 /nfs/dbraw/zinc/18/23/80/347182380.db2.gz VLABGYGTTUKRGE-CZUORRHYSA-N 1 1 294.402 3.480 20 30 CGEDMO C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)c2nccn21 ZINC000594508737 347182443 /nfs/dbraw/zinc/18/24/43/347182443.db2.gz VLABGYGTTUKRGE-XJKSGUPXSA-N 1 1 294.402 3.480 20 30 CGEDMO CCC[N@H+](CC)CCNCc1ccc(C(C)(C)C#N)cc1 ZINC000594513282 347184864 /nfs/dbraw/zinc/18/48/64/347184864.db2.gz MLMCWNZSGGPBOH-UHFFFAOYSA-N 1 1 287.451 3.309 20 30 CGEDMO CCC[N@@H+](CC)CCNCc1ccc(C(C)(C)C#N)cc1 ZINC000594513282 347184869 /nfs/dbraw/zinc/18/48/69/347184869.db2.gz MLMCWNZSGGPBOH-UHFFFAOYSA-N 1 1 287.451 3.309 20 30 CGEDMO CC(C)(C)[N@@H+]1CC[C@@H](NCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594955862 347240017 /nfs/dbraw/zinc/24/00/17/347240017.db2.gz GBTUJKZASHHPGG-QGZVFWFLSA-N 1 1 299.462 3.450 20 30 CGEDMO CC(C)(C)[N@H+]1CC[C@@H](NCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594955862 347240020 /nfs/dbraw/zinc/24/00/20/347240020.db2.gz GBTUJKZASHHPGG-QGZVFWFLSA-N 1 1 299.462 3.450 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccnn2-c2ccccc2)CCCCC1 ZINC000594982059 347248796 /nfs/dbraw/zinc/24/87/96/347248796.db2.gz XXBKXERMUWSBBB-UHFFFAOYSA-N 1 1 294.402 3.436 20 30 CGEDMO CC[N@H+](Cc1cc(OC)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000595295330 347288757 /nfs/dbraw/zinc/28/87/57/347288757.db2.gz IVPRSFKPGWXOFF-LBPRGKRZSA-N 1 1 285.347 3.138 20 30 CGEDMO CC[N@@H+](Cc1cc(OC)no1)[C@@H](C)c1ccc(C#N)cc1 ZINC000595295330 347288761 /nfs/dbraw/zinc/28/87/61/347288761.db2.gz IVPRSFKPGWXOFF-LBPRGKRZSA-N 1 1 285.347 3.138 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCC[C@H]2C2CCC2)cc1 ZINC000595307202 347289886 /nfs/dbraw/zinc/28/98/86/347289886.db2.gz IXYJTDRTZFUQJC-KRWDZBQOSA-N 1 1 254.377 3.365 20 30 CGEDMO C[C@@H](O)C[N@@H+](CCc1ccc(C#N)cc1)C1CCCCC1 ZINC000595303972 347289891 /nfs/dbraw/zinc/28/98/91/347289891.db2.gz SEARPOAXUNIHHY-OAHLLOKOSA-N 1 1 286.419 3.116 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCC[C@@H]2C2CCC2)cc1 ZINC000595307203 347289972 /nfs/dbraw/zinc/28/99/72/347289972.db2.gz IXYJTDRTZFUQJC-QGZVFWFLSA-N 1 1 254.377 3.365 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CC[C@H](c3ccco3)C2)cc1 ZINC000595316819 347291309 /nfs/dbraw/zinc/29/13/09/347291309.db2.gz KJDAQDGTVCTZBW-INIZCTEOSA-N 1 1 266.344 3.183 20 30 CGEDMO CO[C@@H](C[N@H+]1CCC[C@@](C)(C#N)C1)C1CCCCC1 ZINC000595426640 347301439 /nfs/dbraw/zinc/30/14/39/347301439.db2.gz PCADIPDWBGGCLN-HOTGVXAUSA-N 1 1 264.413 3.207 20 30 CGEDMO C[C@@H](C[N@@H+](C)CCc1ccc(C#N)cc1)c1nccs1 ZINC000595426746 347301708 /nfs/dbraw/zinc/30/17/08/347301708.db2.gz QJWJKRGPRKSMIA-ZDUSSCGKSA-N 1 1 285.416 3.293 20 30 CGEDMO CC[N@H+](CCC#N)CCc1nsc2ccccc21 ZINC000595333953 347293642 /nfs/dbraw/zinc/29/36/42/347293642.db2.gz PNFJROADHQNDDJ-UHFFFAOYSA-N 1 1 259.378 3.074 20 30 CGEDMO CC[N@@H+](CCC#N)CCc1nsc2ccccc21 ZINC000595333953 347293645 /nfs/dbraw/zinc/29/36/45/347293645.db2.gz PNFJROADHQNDDJ-UHFFFAOYSA-N 1 1 259.378 3.074 20 30 CGEDMO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)OC(C)(C)C ZINC000595603545 347325069 /nfs/dbraw/zinc/32/50/69/347325069.db2.gz OGFGKZSSIUJBLX-CHWSQXEVSA-N 1 1 253.386 3.053 20 30 CGEDMO C=CCCCC[N@H+]1C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C1 ZINC000595620207 347328644 /nfs/dbraw/zinc/32/86/44/347328644.db2.gz BMAOVHNDDJFHOC-NEPJUHHUSA-N 1 1 293.329 3.016 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000595623435 347329156 /nfs/dbraw/zinc/32/91/56/347329156.db2.gz PILVCLRJUXXOCZ-PVAVHDDUSA-N 1 1 254.377 3.416 20 30 CGEDMO COc1ccc(Cl)c(C[N@@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595623894 347329416 /nfs/dbraw/zinc/32/94/16/347329416.db2.gz XXALQVSEENDYDB-GFCCVEGCSA-N 1 1 278.783 3.474 20 30 CGEDMO COc1ccc(Cl)c(C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595623894 347329418 /nfs/dbraw/zinc/32/94/18/347329418.db2.gz XXALQVSEENDYDB-GFCCVEGCSA-N 1 1 278.783 3.474 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2cncn2Cc2ccccc2)C1 ZINC000595621521 347329734 /nfs/dbraw/zinc/32/97/34/347329734.db2.gz VYFWQYRWHAXHMS-KRWDZBQOSA-N 1 1 294.402 3.057 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cncn2Cc2ccccc2)C1 ZINC000595621521 347329736 /nfs/dbraw/zinc/32/97/36/347329736.db2.gz VYFWQYRWHAXHMS-KRWDZBQOSA-N 1 1 294.402 3.057 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccncc2C#N)CCc2ccccc21 ZINC000595631495 347330380 /nfs/dbraw/zinc/33/03/80/347330380.db2.gz JELJNQSYUBOHJO-UHFFFAOYSA-N 1 1 291.398 3.289 20 30 CGEDMO N#Cc1cnccc1C[N@H+]1CCCC2(CCCC2)CC1 ZINC000595641103 347331926 /nfs/dbraw/zinc/33/19/26/347331926.db2.gz BAPBQODKPYOWCL-UHFFFAOYSA-N 1 1 269.392 3.500 20 30 CGEDMO C[C@@H](CO)[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000595670754 347335495 /nfs/dbraw/zinc/33/54/95/347335495.db2.gz CFYRWTDJHAKZQR-BLLLJJGKSA-N 1 1 292.810 3.195 20 30 CGEDMO C[C@@H](CO)[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000595670754 347335497 /nfs/dbraw/zinc/33/54/97/347335497.db2.gz CFYRWTDJHAKZQR-BLLLJJGKSA-N 1 1 292.810 3.195 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc(OC)c(C#N)c2)C1 ZINC000595661369 347335548 /nfs/dbraw/zinc/33/55/48/347335548.db2.gz ZPUMZHOHLKLZII-CQSZACIVSA-N 1 1 270.376 3.355 20 30 CGEDMO C[C@H]1COC2(CCC2)C[N@H+]1CCCCC(C)(C)C#N ZINC000595683697 347337386 /nfs/dbraw/zinc/33/73/86/347337386.db2.gz YMTWUSDMCPVNAO-AWEZNQCLSA-N 1 1 264.413 3.350 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](C(=O)OC)[C@@H]2CCCC[C@H]21 ZINC000595733089 347348632 /nfs/dbraw/zinc/34/86/32/347348632.db2.gz QUEIRDRVLOXZIE-SOUVJXGZSA-N 1 1 265.397 3.006 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000595754822 347350445 /nfs/dbraw/zinc/35/04/45/347350445.db2.gz CRKHJACNSVVDOD-LBPRGKRZSA-N 1 1 291.326 3.038 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](CCF)C1 ZINC000595754822 347350448 /nfs/dbraw/zinc/35/04/48/347350448.db2.gz CRKHJACNSVVDOD-LBPRGKRZSA-N 1 1 291.326 3.038 20 30 CGEDMO C=CC[N@H+](Cc1cccc(C(=O)OC)c1C#N)C(C)(C)C ZINC000595764486 347352487 /nfs/dbraw/zinc/35/24/87/347352487.db2.gz BYTYKBLKQBOQMX-UHFFFAOYSA-N 1 1 286.375 3.131 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)c(C#N)c1)C(C)(C)C ZINC000595766391 347353224 /nfs/dbraw/zinc/35/32/24/347353224.db2.gz UYVCCXRCRFMFRT-UHFFFAOYSA-N 1 1 258.365 3.353 20 30 CGEDMO COc1cccc([C@@]2(C)CC[N@H+](C[C@@H](C#N)CCC#N)C2)c1 ZINC000595771014 347353673 /nfs/dbraw/zinc/35/36/73/347353673.db2.gz YSHAFLLGPXNPMK-QAPCUYQASA-N 1 1 297.402 3.102 20 30 CGEDMO COc1cccc([C@@]2(C)CC[N@@H+](C[C@@H](C#N)CCC#N)C2)c1 ZINC000595771014 347353674 /nfs/dbraw/zinc/35/36/74/347353674.db2.gz YSHAFLLGPXNPMK-QAPCUYQASA-N 1 1 297.402 3.102 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)s1 ZINC000595788018 347355827 /nfs/dbraw/zinc/35/58/27/347355827.db2.gz MBRAWZGICRRTRZ-BBRMVZONSA-N 1 1 290.432 3.401 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3ccccn3)C2)cc1F ZINC000595501283 347312326 /nfs/dbraw/zinc/31/23/26/347312326.db2.gz HHHKYJJQGHXLHN-MRXNPFEDSA-N 1 1 295.361 3.472 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC000595840773 347365645 /nfs/dbraw/zinc/36/56/45/347365645.db2.gz DZVXKSOZBFCRRN-OKILXGFUSA-N 1 1 258.321 3.278 20 30 CGEDMO COc1ccc([C@H](C)C[N@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000595840376 347365777 /nfs/dbraw/zinc/36/57/77/347365777.db2.gz AJUQKORMSFRNCR-CZUORRHYSA-N 1 1 258.365 3.034 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000595845508 347367265 /nfs/dbraw/zinc/36/72/65/347367265.db2.gz PEBGXCPJUDDWSR-OKILXGFUSA-N 1 1 288.347 3.286 20 30 CGEDMO Cc1ccc(C#N)nc1NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000596118999 347385423 /nfs/dbraw/zinc/38/54/23/347385423.db2.gz HWZCUGMXYMLQPG-OAHLLOKOSA-N 1 1 294.402 3.194 20 30 CGEDMO Cc1ccc(C#N)nc1NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000596118998 347385510 /nfs/dbraw/zinc/38/55/10/347385510.db2.gz HWZCUGMXYMLQPG-HNNXBMFYSA-N 1 1 294.402 3.194 20 30 CGEDMO Cn1ncc2c1CC(C)(C)C[N@@H+](CCCC(C)(C)C#N)C2 ZINC000596598588 347485987 /nfs/dbraw/zinc/48/59/87/347485987.db2.gz HPRSEXDXYYEGCX-UHFFFAOYSA-N 1 1 288.439 3.134 20 30 CGEDMO CCC[N@@H+](C)CC(C)(C)Nc1ncc(C#N)cc1Cl ZINC000596544037 347477645 /nfs/dbraw/zinc/47/76/45/347477645.db2.gz WDNVGHBVWXGGHJ-UHFFFAOYSA-N 1 1 280.803 3.139 20 30 CGEDMO Cc1cc(C)c(C#N)c(NC[C@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000596570054 347480898 /nfs/dbraw/zinc/48/08/98/347480898.db2.gz IGDYZMJUNOKCCH-MRXNPFEDSA-N 1 1 298.434 3.104 20 30 CGEDMO CC[N@@H+](Cc1cnc2n1CCC2)[C@H](C)c1ccc(C#N)cc1 ZINC000596983683 347524834 /nfs/dbraw/zinc/52/48/34/347524834.db2.gz FAYFICMREZSSPR-CQSZACIVSA-N 1 1 294.402 3.284 20 30 CGEDMO CCn1cc(C[N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)cn1 ZINC000597008670 347527277 /nfs/dbraw/zinc/52/72/77/347527277.db2.gz FULSTEFDAGDYOD-UHFFFAOYSA-N 1 1 294.402 3.090 20 30 CGEDMO CC(C)CO[C@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597030632 347529504 /nfs/dbraw/zinc/52/95/04/347529504.db2.gz SGRBAFBVMZMBEQ-SFHVURJKSA-N 1 1 298.430 3.489 20 30 CGEDMO C[NH+](C)[C@@H]1CCCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597114269 347536909 /nfs/dbraw/zinc/53/69/09/347536909.db2.gz DORFLEICXCGTLI-GOSISDBHSA-N 1 1 297.446 3.158 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3CCOC[C@H]3C3CCC3)cc2)CC1 ZINC000597154524 347541598 /nfs/dbraw/zinc/54/15/98/347541598.db2.gz ABBZOZRNHVTADJ-SFHVURJKSA-N 1 1 296.414 3.243 20 30 CGEDMO N#CC1(c2ccc(C[N@@H+]3CCC[C@@H](F)C3)cc2)CC1 ZINC000597158577 347542399 /nfs/dbraw/zinc/54/23/99/347542399.db2.gz UTAXDZBMRLCYAE-OAHLLOKOSA-N 1 1 258.340 3.176 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000597172657 347543519 /nfs/dbraw/zinc/54/35/19/347543519.db2.gz CSIXUPPLZWGWKY-AWEZNQCLSA-N 1 1 280.375 3.202 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000597172657 347543521 /nfs/dbraw/zinc/54/35/21/347543521.db2.gz CSIXUPPLZWGWKY-AWEZNQCLSA-N 1 1 280.375 3.202 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000597232067 347559907 /nfs/dbraw/zinc/55/99/07/347559907.db2.gz RSZXXJNVXMAFCD-QGZVFWFLSA-N 1 1 270.376 3.211 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000597232067 347559912 /nfs/dbraw/zinc/55/99/12/347559912.db2.gz RSZXXJNVXMAFCD-QGZVFWFLSA-N 1 1 270.376 3.211 20 30 CGEDMO C[C@H]1C[N@H+](CC(C)(C)CCC#N)C[C@@H](CC(F)(F)F)O1 ZINC000597243405 347562371 /nfs/dbraw/zinc/56/23/71/347562371.db2.gz OOIIRDJSDRPSAB-NWDGAFQWSA-N 1 1 292.345 3.358 20 30 CGEDMO C[C@H]1C[N@@H+](CC(C)(C)CCC#N)C[C@@H](CC(F)(F)F)O1 ZINC000597243405 347562374 /nfs/dbraw/zinc/56/23/74/347562374.db2.gz OOIIRDJSDRPSAB-NWDGAFQWSA-N 1 1 292.345 3.358 20 30 CGEDMO C[C@@]12COC[C@]1(C)C[N@H+](Cc1ccc(C3(C#N)CC3)cc1)C2 ZINC000597195712 347549524 /nfs/dbraw/zinc/54/95/24/347549524.db2.gz NGNHNZQJGYEETB-HDICACEKSA-N 1 1 296.414 3.100 20 30 CGEDMO CC1(C)CC[C@H](CO)[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000598646948 347674907 /nfs/dbraw/zinc/67/49/07/347674907.db2.gz INNGTGTWKZPVNW-OAHLLOKOSA-N 1 1 292.810 3.195 20 30 CGEDMO CC1(C)CC[C@H](CO)[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000598646948 347674911 /nfs/dbraw/zinc/67/49/11/347674911.db2.gz INNGTGTWKZPVNW-OAHLLOKOSA-N 1 1 292.810 3.195 20 30 CGEDMO COCCCC[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000351858111 219228207 /nfs/dbraw/zinc/22/82/07/219228207.db2.gz MTOOZPURMWNSHI-UHFFFAOYSA-N 1 1 274.408 3.443 20 30 CGEDMO C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCc3cc(C#N)ccc32)CC1(C)C ZINC000598974366 347702447 /nfs/dbraw/zinc/70/24/47/347702447.db2.gz JFIQCSBXDBVGMY-NVXWUHKLSA-N 1 1 283.419 3.008 20 30 CGEDMO CN1CC[C@@H]([NH2+][C@@H]2CCc3cc(C#N)ccc32)CC1(C)C ZINC000598974366 347702449 /nfs/dbraw/zinc/70/24/49/347702449.db2.gz JFIQCSBXDBVGMY-NVXWUHKLSA-N 1 1 283.419 3.008 20 30 CGEDMO C[N@@H+]1CC[C@@H](N[C@@H]2CCc3cc(C#N)ccc32)CC1(C)C ZINC000598974366 347702451 /nfs/dbraw/zinc/70/24/51/347702451.db2.gz JFIQCSBXDBVGMY-NVXWUHKLSA-N 1 1 283.419 3.008 20 30 CGEDMO C[N@H+]1CC[C@@H](N[C@@H]2CCc3cc(C#N)ccc32)CC1(C)C ZINC000598974366 347702453 /nfs/dbraw/zinc/70/24/53/347702453.db2.gz JFIQCSBXDBVGMY-NVXWUHKLSA-N 1 1 283.419 3.008 20 30 CGEDMO COc1cc(C[NH2+][C@H]2CCCc3scnc32)ccc1C#N ZINC000599047111 347710155 /nfs/dbraw/zinc/71/01/55/347710155.db2.gz POSNDGXEBJFLIU-ZDUSSCGKSA-N 1 1 299.399 3.191 20 30 CGEDMO N#CCc1ccc(C[NH2+][C@@H]2CCCc3scnc32)cc1 ZINC000599050823 347710852 /nfs/dbraw/zinc/71/08/52/347710852.db2.gz DKSIDPUGFVQZCE-CQSZACIVSA-N 1 1 283.400 3.376 20 30 CGEDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598584313 347665982 /nfs/dbraw/zinc/66/59/82/347665982.db2.gz GFHJHVUYZJPXIF-IUODEOHRSA-N 1 1 278.371 3.119 20 30 CGEDMO C[N@H+](Cc1ccccc1Cl)C[C@H](O)CC(C)(C)C#N ZINC000598584141 347666004 /nfs/dbraw/zinc/66/60/04/347666004.db2.gz JPNKVALPFXMWKH-CYBMUJFWSA-N 1 1 280.799 3.073 20 30 CGEDMO CC[C@@H]1c2ccsc2CC[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598585828 347666835 /nfs/dbraw/zinc/66/68/35/347666835.db2.gz KZOQUCIZYLWTKE-GXTWGEPZSA-N 1 1 292.448 3.358 20 30 CGEDMO Cc1ccccc1[C@H]1CCC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598585745 347666901 /nfs/dbraw/zinc/66/69/01/347666901.db2.gz KQALIAGKNMQROC-DOTOQJQBSA-N 1 1 286.419 3.433 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)C[C@@H](O)CC(C)(C)C#N ZINC000598588148 347667478 /nfs/dbraw/zinc/66/74/78/347667478.db2.gz YXLJECYRZDZVBQ-KRWDZBQOSA-N 1 1 286.419 3.018 20 30 CGEDMO C[C@]12CCCC[C@H]1C[N@H+]2Cc1ccc(C#N)cc1F ZINC000599674322 347763822 /nfs/dbraw/zinc/76/38/22/347763822.db2.gz CDDLETVBNCZOCQ-HOCLYGCPSA-N 1 1 258.340 3.462 20 30 CGEDMO Cc1cnccc1CC[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677332 347764097 /nfs/dbraw/zinc/76/40/97/347764097.db2.gz FEXAOSWQSREBIV-UHFFFAOYSA-N 1 1 291.398 3.057 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C)c(C#N)c1)C1CCCC1 ZINC000599271186 347730686 /nfs/dbraw/zinc/73/06/86/347730686.db2.gz VLGLBNBRYJKEGU-UHFFFAOYSA-N 1 1 272.392 3.258 20 30 CGEDMO Cc1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cc1C#N ZINC000599303933 347733234 /nfs/dbraw/zinc/73/32/34/347733234.db2.gz ICEJUIQPTXIJJD-MOPGFXCFSA-N 1 1 297.446 3.314 20 30 CGEDMO Cc1ccc(C[N@H+](C)[C@@H](C)c2ccccn2)cc1C#N ZINC000599348176 347738413 /nfs/dbraw/zinc/73/84/13/347738413.db2.gz MTVORXKAXHNBBB-AWEZNQCLSA-N 1 1 265.360 3.455 20 30 CGEDMO Cc1ccc(C[N@H+]2CCS[C@@H](C)CC2)cc1C#N ZINC000599388605 347741555 /nfs/dbraw/zinc/74/15/55/347741555.db2.gz JSOCJMHWWZLNIP-ZDUSSCGKSA-N 1 1 260.406 3.194 20 30 CGEDMO Cc1ccc(C[N@H+]2CC(C)(C)[C@@H]2[C@@H]2CCCO2)cc1C#N ZINC000599421734 347743094 /nfs/dbraw/zinc/74/30/94/347743094.db2.gz PCYRQUVRZXJQNY-IRXDYDNUSA-N 1 1 284.403 3.256 20 30 CGEDMO C[C@@H]1C[N@H+](CCOc2ccc(C#N)cc2)C[C@H](C)C1(F)F ZINC000599512559 347749403 /nfs/dbraw/zinc/74/94/03/347749403.db2.gz KHYHIUDWMUUGCK-BETUJISGSA-N 1 1 294.345 3.160 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H](C)C1(F)F ZINC000599515341 347750127 /nfs/dbraw/zinc/75/01/27/347750127.db2.gz SGWCJZKKZCGZOG-PHIMTYICSA-N 1 1 282.309 3.420 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599553107 347753543 /nfs/dbraw/zinc/75/35/43/347753543.db2.gz NJIFQBZTLGOAEM-CVEARBPZSA-N 1 1 272.417 3.337 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCc2c(O)cccc2C1 ZINC000599649321 347761294 /nfs/dbraw/zinc/76/12/94/347761294.db2.gz ZWAOGUOVGJELSX-CYBMUJFWSA-N 1 1 278.355 3.383 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCc2c(O)cccc2C1 ZINC000599649321 347761298 /nfs/dbraw/zinc/76/12/98/347761298.db2.gz ZWAOGUOVGJELSX-CYBMUJFWSA-N 1 1 278.355 3.383 20 30 CGEDMO CCc1ccc(C[N@@H+]2CCc3c(CC#N)cccc3C2)o1 ZINC000600213348 347794354 /nfs/dbraw/zinc/79/43/54/347794354.db2.gz URXKCXQVBZNEGF-UHFFFAOYSA-N 1 1 280.371 3.466 20 30 CGEDMO CCc1ccc(C[N@H+]2CCc3c(CC#N)cccc3C2)o1 ZINC000600213348 347794356 /nfs/dbraw/zinc/79/43/56/347794356.db2.gz URXKCXQVBZNEGF-UHFFFAOYSA-N 1 1 280.371 3.466 20 30 CGEDMO COc1cc(C[NH2+]CC(C)(C)C#N)cc(C(F)(F)F)c1 ZINC000600144089 347784206 /nfs/dbraw/zinc/78/42/06/347784206.db2.gz GQHZPNHWHSRSNH-UHFFFAOYSA-N 1 1 286.297 3.353 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)c(C(F)(F)F)c1 ZINC000600193410 347792509 /nfs/dbraw/zinc/79/25/09/347792509.db2.gz XXBHIZWCZGMBRR-TXEJJXNPSA-N 1 1 266.266 3.029 20 30 CGEDMO C[C@]1(C2CCCCC2)CC[N@H+]1C[C@@H](O)CC1(C#N)CC1 ZINC000601961206 347929834 /nfs/dbraw/zinc/92/98/34/347929834.db2.gz BREYSEHZJUFKPS-JKSUJKDBSA-N 1 1 276.424 3.086 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CC[C@@]1(C)C1CCCCC1 ZINC000601961195 347930208 /nfs/dbraw/zinc/93/02/08/347930208.db2.gz BGBLYCZMEHYYFL-WBVHZDCISA-N 1 1 278.440 3.332 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]2c2cccs2)n1 ZINC000602436609 347957216 /nfs/dbraw/zinc/95/72/16/347957216.db2.gz XOMXRKAQZBUILS-CQSZACIVSA-N 1 1 269.373 3.352 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000602436989 347958051 /nfs/dbraw/zinc/95/80/51/347958051.db2.gz BWUGBYFKBPSDRA-WMZOPIPTSA-N 1 1 285.435 3.133 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]2C2CCCC2)n1 ZINC000602449260 347960108 /nfs/dbraw/zinc/96/01/08/347960108.db2.gz PNYBDQONSKHFKR-INIZCTEOSA-N 1 1 255.365 3.108 20 30 CGEDMO CC(C)[N@@H+](CCC#N)C[C@H]1CCN(c2ccccc2)C1 ZINC000602448149 347960219 /nfs/dbraw/zinc/96/02/19/347960219.db2.gz MKHKNWZLXSOPCF-MRXNPFEDSA-N 1 1 271.408 3.137 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000602453949 347961338 /nfs/dbraw/zinc/96/13/38/347961338.db2.gz LKQQVJZTFCTJJO-BBRMVZONSA-N 1 1 258.365 3.469 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000602461073 347962333 /nfs/dbraw/zinc/96/23/33/347962333.db2.gz XASOGWHVSJKBGH-WBVHZDCISA-N 1 1 272.392 3.390 20 30 CGEDMO N#Cc1ccc(OC2CC[NH+](Cc3ccns3)CC2)cc1 ZINC000602465984 347963073 /nfs/dbraw/zinc/96/30/73/347963073.db2.gz SAZBDYNETCWDMN-UHFFFAOYSA-N 1 1 299.399 3.058 20 30 CGEDMO CCC[N@@H+](C[C@H](C)CCC#N)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000602471987 347964297 /nfs/dbraw/zinc/96/42/97/347964297.db2.gz MZQHEKOFIJIPBB-QXSJWSMHSA-N 1 1 278.440 3.452 20 30 CGEDMO CC[N@@H+](C[C@H](C)CCC#N)[C@H]1CCN(c2ccccc2)C1=O ZINC000602477278 347965042 /nfs/dbraw/zinc/96/50/42/347965042.db2.gz ZZDSAVSQSFPALJ-WBVHZDCISA-N 1 1 299.418 3.054 20 30 CGEDMO C[C@@H](C#N)C[NH2+]Cc1ccccc1CC(F)(F)F ZINC000602607775 347992869 /nfs/dbraw/zinc/99/28/69/347992869.db2.gz MIIJXTNSKGYZEL-JTQLQIEISA-N 1 1 256.271 3.041 20 30 CGEDMO CC(C)(C#N)CN[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602617732 347994766 /nfs/dbraw/zinc/99/47/66/347994766.db2.gz ZRODAYAVODCLLP-SJLPKXTDSA-N 1 1 297.446 3.494 20 30 CGEDMO CC1(C)C[N@H+](Cc2cccc(C#N)n2)CC[C@H]1C(F)(F)F ZINC000602635688 347997743 /nfs/dbraw/zinc/99/77/43/347997743.db2.gz UHKVTQDXXMKPRK-CYBMUJFWSA-N 1 1 297.324 3.364 20 30 CGEDMO CC1(C)C[N@@H+](Cc2cccc(C#N)n2)CC[C@H]1C(F)(F)F ZINC000602635688 347997745 /nfs/dbraw/zinc/99/77/45/347997745.db2.gz UHKVTQDXXMKPRK-CYBMUJFWSA-N 1 1 297.324 3.364 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000602647538 348000396 /nfs/dbraw/zinc/00/03/96/348000396.db2.gz TYBAHHVSOOZGBA-HUUCEWRRSA-N 1 1 289.398 3.276 20 30 CGEDMO C[C@H](CCC#N)C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000602647364 348000710 /nfs/dbraw/zinc/00/07/10/348000710.db2.gz HLFORUATYXJCRE-SJLPKXTDSA-N 1 1 285.435 3.038 20 30 CGEDMO CC(C)[N@H+](CC(=O)N1CCCCCC1)C[C@@H](C)CCC#N ZINC000602656075 348001873 /nfs/dbraw/zinc/00/18/73/348001873.db2.gz ROGRZGYQLYYONR-INIZCTEOSA-N 1 1 293.455 3.039 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000602663470 348003548 /nfs/dbraw/zinc/00/35/48/348003548.db2.gz COKOCUMZNHMNCT-JKSUJKDBSA-N 1 1 296.418 3.441 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCCc2ccccc2CC1 ZINC000602680412 348007510 /nfs/dbraw/zinc/00/75/10/348007510.db2.gz DQKGKZXVGBGGLJ-HNNXBMFYSA-N 1 1 256.393 3.417 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC000602679603 348007569 /nfs/dbraw/zinc/00/75/69/348007569.db2.gz MEXBESMRRUPREX-SWLSCSKDSA-N 1 1 280.799 3.245 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000602681000 348008286 /nfs/dbraw/zinc/00/82/86/348008286.db2.gz HCKSUQMCXSNYAP-ZIAGYGMSSA-N 1 1 252.427 3.145 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000602685218 348008994 /nfs/dbraw/zinc/00/89/94/348008994.db2.gz ZIVLOWJOCRTYQU-XJKSGUPXSA-N 1 1 276.355 3.139 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCOC[C@@H]1c1ccc(F)cc1 ZINC000602685218 348008997 /nfs/dbraw/zinc/00/89/97/348008997.db2.gz ZIVLOWJOCRTYQU-XJKSGUPXSA-N 1 1 276.355 3.139 20 30 CGEDMO COc1cncc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1C ZINC000602691080 348009711 /nfs/dbraw/zinc/00/97/11/348009711.db2.gz BPGYAKWFMOTBKM-AWEZNQCLSA-N 1 1 295.386 3.463 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCSC2(CCC2)CC1 ZINC000602694597 348010588 /nfs/dbraw/zinc/01/05/88/348010588.db2.gz JQRPNINKRDCRTQ-CYBMUJFWSA-N 1 1 252.427 3.288 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc3ccc(F)c(F)c3n2)CCC1 ZINC000602695311 348011545 /nfs/dbraw/zinc/01/15/45/348011545.db2.gz MEERSIQWNPPZSR-UHFFFAOYSA-N 1 1 287.313 3.296 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2ccc(C(F)F)nc2)C1 ZINC000602707509 348014512 /nfs/dbraw/zinc/01/45/12/348014512.db2.gz NFJRTBXFESZBNV-LLVKDONJSA-N 1 1 265.307 3.145 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@@H](c2ccc(O)cc2)C1 ZINC000602730007 348020006 /nfs/dbraw/zinc/02/00/06/348020006.db2.gz MKXJWHLKVLLHRX-DZGCQCFKSA-N 1 1 258.365 3.121 20 30 CGEDMO CCC1([NH+](C)C)CCN(CC(C)(C)CCC#N)CC1 ZINC000602739582 348022548 /nfs/dbraw/zinc/02/25/48/348022548.db2.gz QPKIUDKALBDXMD-UHFFFAOYSA-N 1 1 265.445 3.123 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc[nH]c(=O)c1 ZINC000602764174 348025676 /nfs/dbraw/zinc/02/56/76/348025676.db2.gz UAPBHUDZTDKWOF-UHFFFAOYSA-N 1 1 281.359 3.071 20 30 CGEDMO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)CC1(CC#N)CC1 ZINC000602794721 348030279 /nfs/dbraw/zinc/03/02/79/348030279.db2.gz JHPRDQUSAWUZRP-CZUORRHYSA-N 1 1 270.376 3.004 20 30 CGEDMO CC(C)COC[C@@H]([NH2+]CC1(CC#N)CC1)c1ccco1 ZINC000602804103 348031586 /nfs/dbraw/zinc/03/15/86/348031586.db2.gz IFSYYYXNTJJKOH-CQSZACIVSA-N 1 1 276.380 3.277 20 30 CGEDMO CCn1ccnc1[C@H]1CCCC[N@@H+]1CC1(CC#N)CC1 ZINC000602829078 348034594 /nfs/dbraw/zinc/03/45/94/348034594.db2.gz UVFDMFVTDWNMBA-CQSZACIVSA-N 1 1 272.396 3.124 20 30 CGEDMO CCn1ccnc1[C@H]1CCCC[N@H+]1CC1(CC#N)CC1 ZINC000602829078 348034597 /nfs/dbraw/zinc/03/45/97/348034597.db2.gz UVFDMFVTDWNMBA-CQSZACIVSA-N 1 1 272.396 3.124 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](c3cccnc3)C2)c1 ZINC000602855894 348037368 /nfs/dbraw/zinc/03/73/68/348037368.db2.gz QELVUHDKCNYJIF-MRXNPFEDSA-N 1 1 295.361 3.472 20 30 CGEDMO CC1(C)C[N@H+](CC2(CC#N)CC2)[C@H]1c1cccnc1 ZINC000602903360 348041699 /nfs/dbraw/zinc/04/16/99/348041699.db2.gz RESWXVNXEPZNQQ-AWEZNQCLSA-N 1 1 255.365 3.158 20 30 CGEDMO CC1(C)C[N@@H+](CC2(CC#N)CC2)[C@H]1c1cccnc1 ZINC000602903360 348041701 /nfs/dbraw/zinc/04/17/01/348041701.db2.gz RESWXVNXEPZNQQ-AWEZNQCLSA-N 1 1 255.365 3.158 20 30 CGEDMO CSc1ccc(OCC[N@H+](C)[C@H]2CCC[C@@H]2C#N)cc1 ZINC000602978850 348049246 /nfs/dbraw/zinc/04/92/46/348049246.db2.gz XLOQDJUXEZLSJE-CJNGLKHVSA-N 1 1 290.432 3.411 20 30 CGEDMO CSc1ccc(OCC[N@@H+](C)[C@H]2CCC[C@@H]2C#N)cc1 ZINC000602978850 348049250 /nfs/dbraw/zinc/04/92/50/348049250.db2.gz XLOQDJUXEZLSJE-CJNGLKHVSA-N 1 1 290.432 3.411 20 30 CGEDMO CO[C@H](C[N@@H+](C)[C@@H]1CCC[C@H]1C#N)C1CCCCC1 ZINC000602981269 348050935 /nfs/dbraw/zinc/05/09/35/348050935.db2.gz AKNLSYWZFGFWSQ-ARFHVFGLSA-N 1 1 264.413 3.206 20 30 CGEDMO Cc1cc(-n2ccnc2)ccc1C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602980937 348051554 /nfs/dbraw/zinc/05/15/54/348051554.db2.gz XQGFLMLXVOYWQO-MAUKXSAKSA-N 1 1 294.402 3.305 20 30 CGEDMO C[N@H+](CCC1(C#N)CCCCC1)[C@H]1CCC[C@@H]1C#N ZINC000602982599 348052570 /nfs/dbraw/zinc/05/25/70/348052570.db2.gz VEGAIWQXZZZISD-CABCVRRESA-N 1 1 259.397 3.475 20 30 CGEDMO C[N@@H+](CCC1(C#N)CCCCC1)[C@H]1CCC[C@@H]1C#N ZINC000602982599 348052571 /nfs/dbraw/zinc/05/25/71/348052571.db2.gz VEGAIWQXZZZISD-CABCVRRESA-N 1 1 259.397 3.475 20 30 CGEDMO CC(C)(C)Oc1ccc(C[NH2+]C[C@@H](C#N)CCC#N)cc1 ZINC000604436881 348120467 /nfs/dbraw/zinc/12/04/67/348120467.db2.gz NWJPPEGCABUZHQ-OAHLLOKOSA-N 1 1 285.391 3.397 20 30 CGEDMO C=CCCC[N@H+](CCC)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000607155195 348226347 /nfs/dbraw/zinc/22/63/47/348226347.db2.gz RSMJONOVXBGGKD-RRFJBIMHSA-N 1 1 251.414 3.478 20 30 CGEDMO C=CCCCCCN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000606881175 348204183 /nfs/dbraw/zinc/20/41/83/348204183.db2.gz JCVRFLGVXBLKGE-KRWDZBQOSA-N 1 1 288.435 3.494 20 30 CGEDMO C=CCCCCC[N@H+](C)CC(=O)NC1CCC(C)CC1 ZINC000606902253 348206523 /nfs/dbraw/zinc/20/65/23/348206523.db2.gz KHBGZCJPBOXLSN-UHFFFAOYSA-N 1 1 280.456 3.360 20 30 CGEDMO CC[C@H]1CCCC[N@H+]1CCNc1ncc(C#N)cc1Cl ZINC000609595542 348348809 /nfs/dbraw/zinc/34/88/09/348348809.db2.gz BPQWHZOELCIXOD-ZDUSSCGKSA-N 1 1 292.814 3.283 20 30 CGEDMO C[C@H](CNc1ncc(C#N)cc1Cl)[N@H+]1CCC[C@H](C)C1 ZINC000608885917 348333884 /nfs/dbraw/zinc/33/38/84/348333884.db2.gz GUEWHRMLKQCWLF-NWDGAFQWSA-N 1 1 292.814 3.139 20 30 CGEDMO N#Cc1ccccc1C[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000339488866 215203575 /nfs/dbraw/zinc/20/35/75/215203575.db2.gz QSEVBJYTQXUYQV-UHFFFAOYSA-N 1 1 266.319 3.476 20 30 CGEDMO C[C@H](Nc1cc[nH+]cc1Cl)c1cccc(C#N)c1 ZINC000610541741 348389565 /nfs/dbraw/zinc/38/95/65/348389565.db2.gz GLINDTCZEAOLNI-JTQLQIEISA-N 1 1 257.724 3.202 20 30 CGEDMO N#Cc1cccc(C2([NH2+]Cc3nc4c(s3)CCC4)CC2)c1 ZINC000611314648 348437931 /nfs/dbraw/zinc/43/79/31/348437931.db2.gz YAVDMDGOPRNNLZ-UHFFFAOYSA-N 1 1 295.411 3.282 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)cc1 ZINC000611350559 348440971 /nfs/dbraw/zinc/44/09/71/348440971.db2.gz QNTZYOZLFHCSMO-QZTJIDSGSA-N 1 1 284.403 3.197 20 30 CGEDMO CC(C)Oc1cccc(C[N@H+](C)Cc2ccnc(C#N)c2)c1 ZINC000611127354 348424460 /nfs/dbraw/zinc/42/44/60/348424460.db2.gz MRPNJYNIUCSLEM-UHFFFAOYSA-N 1 1 295.386 3.372 20 30 CGEDMO CC(C)Oc1cccc(C[N@@H+](C)Cc2ccnc(C#N)c2)c1 ZINC000611127354 348424461 /nfs/dbraw/zinc/42/44/61/348424461.db2.gz MRPNJYNIUCSLEM-UHFFFAOYSA-N 1 1 295.386 3.372 20 30 CGEDMO CC#CC[N@@H+](C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273368252 192127884 /nfs/dbraw/zinc/12/78/84/192127884.db2.gz BLBGAEKILKMPNA-JKSUJKDBSA-N 1 1 261.340 3.001 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](c3ccco3)C2)c1F ZINC000611371797 348441633 /nfs/dbraw/zinc/44/16/33/348441633.db2.gz XIKCDIYYOYGEAS-CYBMUJFWSA-N 1 1 270.307 3.280 20 30 CGEDMO C[C@H](NCC[C@H]1CCCC[N@@H+]1C)c1cccc(C#N)c1 ZINC000611388197 348443878 /nfs/dbraw/zinc/44/38/78/348443878.db2.gz YKXFZASKKTVSAS-WMLDXEAASA-N 1 1 271.408 3.083 20 30 CGEDMO C[C@H](NCC[C@H]1CCCC[N@H+]1C)c1cccc(C#N)c1 ZINC000611388197 348443880 /nfs/dbraw/zinc/44/38/80/348443880.db2.gz YKXFZASKKTVSAS-WMLDXEAASA-N 1 1 271.408 3.083 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000611392861 348445159 /nfs/dbraw/zinc/44/51/59/348445159.db2.gz RELLGEIURRZRIJ-IEBWSBKVSA-N 1 1 295.430 3.010 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000611392861 348445160 /nfs/dbraw/zinc/44/51/60/348445160.db2.gz RELLGEIURRZRIJ-IEBWSBKVSA-N 1 1 295.430 3.010 20 30 CGEDMO C[C@@H](NCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000611438120 348452097 /nfs/dbraw/zinc/45/20/97/348452097.db2.gz LVNSUXCEFOMMBK-BZUAXINKSA-N 1 1 285.435 3.187 20 30 CGEDMO CCc1ccc(CC[N@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612158291 348497939 /nfs/dbraw/zinc/49/79/39/348497939.db2.gz KDKZPETWVVAAHO-KRWDZBQOSA-N 1 1 256.393 3.417 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000613415803 348599092 /nfs/dbraw/zinc/59/90/92/348599092.db2.gz MLFWHEKMBUNZRB-GVDBMIGSSA-N 1 1 292.467 3.312 20 30 CGEDMO CCCC[N@@H+](C)CCNc1nc(C(C)(C)C)ccc1C#N ZINC000613423458 348600830 /nfs/dbraw/zinc/60/08/30/348600830.db2.gz FJTGTGZVCBGYJQ-UHFFFAOYSA-N 1 1 288.439 3.395 20 30 CGEDMO C[C@H]1OCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)[C@@H]1C ZINC000614174129 348655551 /nfs/dbraw/zinc/65/55/51/348655551.db2.gz BVCLGYXRAFXDFL-ZIAGYGMSSA-N 1 1 272.392 3.097 20 30 CGEDMO N#Cc1cc(C[N@@H+]2Cc3ccccc3C3(CC3)C2)ccn1 ZINC000614226452 348660440 /nfs/dbraw/zinc/66/04/40/348660440.db2.gz MWKVDXSGMXGFET-UHFFFAOYSA-N 1 1 275.355 3.001 20 30 CGEDMO N#Cc1cc(C[N@H+]2Cc3ccccc3C3(CC3)C2)ccn1 ZINC000614226452 348660443 /nfs/dbraw/zinc/66/04/43/348660443.db2.gz MWKVDXSGMXGFET-UHFFFAOYSA-N 1 1 275.355 3.001 20 30 CGEDMO COC[C@@H]1CCCC[N@@H+](Cc2ccc(C#N)cc2C)C1 ZINC000614406039 348674633 /nfs/dbraw/zinc/67/46/33/348674633.db2.gz PCEDQWUZJYBLEH-MRXNPFEDSA-N 1 1 272.392 3.115 20 30 CGEDMO CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000614923894 348700156 /nfs/dbraw/zinc/70/01/56/348700156.db2.gz GJEYPPFMTQJETK-CQSZACIVSA-N 1 1 298.308 3.102 20 30 CGEDMO CO[C@]1(C(F)(F)F)CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000614923894 348700158 /nfs/dbraw/zinc/70/01/58/348700158.db2.gz GJEYPPFMTQJETK-CQSZACIVSA-N 1 1 298.308 3.102 20 30 CGEDMO Cc1cc(C[NH2+]Cc2nn(C)c3ccccc23)ccc1C#N ZINC000618196524 349061263 /nfs/dbraw/zinc/06/12/63/349061263.db2.gz VDRKNBOEBABBBI-UHFFFAOYSA-N 1 1 290.370 3.043 20 30 CGEDMO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@@H](C)CCC#N)n1 ZINC000618887902 349175358 /nfs/dbraw/zinc/17/53/58/349175358.db2.gz IUMVRJJUMCQPBD-BBRMVZONSA-N 1 1 257.381 3.467 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000625654693 350192240 /nfs/dbraw/zinc/19/22/40/350192240.db2.gz GSLWCVBUJWTOLQ-AWEZNQCLSA-N 1 1 281.346 3.347 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]3CCCC[C@@H]32)C1 ZINC000625699740 350197476 /nfs/dbraw/zinc/19/74/76/350197476.db2.gz GPQNKEDRTANLOJ-ZACQAIPSSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](C[C@@H](O)[C@@H](C)c2ccccc2)C1 ZINC000625700661 350198484 /nfs/dbraw/zinc/19/84/84/350198484.db2.gz DPHKSHHSOQTEIP-ZMSDIMECSA-N 1 1 259.393 3.049 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC000625701476 350198497 /nfs/dbraw/zinc/19/84/97/350198497.db2.gz RYSBVWFZOVVGFG-AWEZNQCLSA-N 1 1 259.397 3.396 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](CC(=O)Nc2ccc(F)cc2Cl)C1 ZINC000625701006 350198521 /nfs/dbraw/zinc/19/85/21/350198521.db2.gz NRWWIAPCJFKAKP-NSHDSACASA-N 1 1 296.773 3.316 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CC(=O)Nc2ccc(F)cc2Cl)C1 ZINC000625701006 350198525 /nfs/dbraw/zinc/19/85/25/350198525.db2.gz NRWWIAPCJFKAKP-NSHDSACASA-N 1 1 296.773 3.316 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H](C)c2ccccc2)C1 ZINC000625703207 350199669 /nfs/dbraw/zinc/19/96/69/350199669.db2.gz YZCGKACIAGWMMF-JKSUJKDBSA-N 1 1 286.419 3.104 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625801694 350215764 /nfs/dbraw/zinc/21/57/64/350215764.db2.gz WXYCKKWOMLXPPL-SFHVURJKSA-N 1 1 285.387 3.453 20 30 CGEDMO C=CCC[C@@H](NC(=O)Cn1c[nH+]cc1C)c1ccccc1 ZINC000626216159 350283912 /nfs/dbraw/zinc/28/39/12/350283912.db2.gz GORWZYNSDJPYTQ-MRXNPFEDSA-N 1 1 283.375 3.015 20 30 CGEDMO C=CCOCC[N@H+]([C@H](C)COC)[C@H]1CCc2ccccc21 ZINC000626133219 350268199 /nfs/dbraw/zinc/26/81/99/350268199.db2.gz JPGSIKFWTMGBRP-QAPCUYQASA-N 1 1 289.419 3.213 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000628405157 350528213 /nfs/dbraw/zinc/52/82/13/350528213.db2.gz FKJTZOIGCVOHBD-AWEZNQCLSA-N 1 1 267.376 3.475 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000628405157 350528218 /nfs/dbraw/zinc/52/82/18/350528218.db2.gz FKJTZOIGCVOHBD-AWEZNQCLSA-N 1 1 267.376 3.475 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000628405157 350528223 /nfs/dbraw/zinc/52/82/23/350528223.db2.gz FKJTZOIGCVOHBD-AWEZNQCLSA-N 1 1 267.376 3.475 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2C)C1 ZINC000628405333 350528796 /nfs/dbraw/zinc/52/87/96/350528796.db2.gz JJUXFZQBUNGKBY-CQSZACIVSA-N 1 1 275.392 3.410 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C)cc3)C2)C1 ZINC000634458966 351492848 /nfs/dbraw/zinc/49/28/48/351492848.db2.gz IPIDZIFFSMOZOG-KRWDZBQOSA-N 1 1 298.430 3.042 20 30 CGEDMO CC(C)([NH2+]Cc1ccc(C#N)o1)c1ccccc1[N+](=O)[O-] ZINC000291766459 198084801 /nfs/dbraw/zinc/08/48/01/198084801.db2.gz SHOOJTKVZZPPKQ-UHFFFAOYSA-N 1 1 285.303 3.084 20 30 CGEDMO Cn1cc(C[N@H+]2CC[C@](C)(c3ccccc3)C2)cc1C#N ZINC000365264479 234093879 /nfs/dbraw/zinc/09/38/79/234093879.db2.gz UYZVUOUHJDLMJH-SFHVURJKSA-N 1 1 279.387 3.060 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCc1nccs1 ZINC000157996892 188351271 /nfs/dbraw/zinc/35/12/71/188351271.db2.gz JJOISTZWGZYAEC-GFCCVEGCSA-N 1 1 271.389 3.250 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000295187801 199395850 /nfs/dbraw/zinc/39/58/50/199395850.db2.gz ABUBGSHOCHTROQ-XJKSGUPXSA-N 1 1 272.392 3.102 20 30 CGEDMO Cc1cc(C#N)cc(NC(=O)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000412408595 235166174 /nfs/dbraw/zinc/16/61/74/235166174.db2.gz KSSMJKRPNZFPFA-MRXNPFEDSA-N 1 1 285.391 3.070 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c1 ZINC000335248537 283150983 /nfs/dbraw/zinc/15/09/83/283150983.db2.gz JPPKWHDTBVHMTN-FUHWJXTLSA-N 1 1 296.345 3.005 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c1 ZINC000335248537 283150986 /nfs/dbraw/zinc/15/09/86/283150986.db2.gz JPPKWHDTBVHMTN-FUHWJXTLSA-N 1 1 296.345 3.005 20 30 CGEDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000093324900 138345792 /nfs/dbraw/zinc/34/57/92/138345792.db2.gz LTNDLAPZPRJOKO-GFCCVEGCSA-N 1 1 286.400 3.388 20 30 CGEDMO N#Cc1csc(C[NH2+]Cc2ccc(F)cc2F)c1 ZINC000093492581 138345985 /nfs/dbraw/zinc/34/59/85/138345985.db2.gz PBPGPBFJJNGRRO-UHFFFAOYSA-N 1 1 264.300 3.188 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 ZINC000124939914 138378671 /nfs/dbraw/zinc/37/86/71/138378671.db2.gz LRMMURZPAZDFDL-KSZLIROESA-N 1 1 284.403 3.074 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CC[C@@H](C)O1 ZINC000425530634 236258132 /nfs/dbraw/zinc/25/81/32/236258132.db2.gz FRYABANZLPQYTF-IOASZLSFSA-N 1 1 258.365 3.119 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000336220802 213046705 /nfs/dbraw/zinc/04/67/05/213046705.db2.gz QXQNNODYDDHXQR-KRWDZBQOSA-N 1 1 288.366 3.088 20 30 CGEDMO CCOC[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000177172773 189033811 /nfs/dbraw/zinc/03/38/11/189033811.db2.gz GFMSSNAGYMHVCN-INIZCTEOSA-N 1 1 291.822 3.440 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000179622969 189208317 /nfs/dbraw/zinc/20/83/17/189208317.db2.gz LQNONJCOAWEKMG-SECBINFHSA-N 1 1 274.311 3.394 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000179622969 189208318 /nfs/dbraw/zinc/20/83/18/189208318.db2.gz LQNONJCOAWEKMG-SECBINFHSA-N 1 1 274.311 3.394 20 30 CGEDMO CC(C)[N@@H+](Cc1cc(C#N)ccc1F)C1CCOCC1 ZINC000119574785 370687377 /nfs/dbraw/zinc/68/73/77/370687377.db2.gz PZNPSOAZQFBXAP-UHFFFAOYSA-N 1 1 276.355 3.087 20 30 CGEDMO C[C@@H](C[N@H+](C)Cc1ccccc1)NCc1ccc(C#N)s1 ZINC000182683294 189331240 /nfs/dbraw/zinc/33/12/40/189331240.db2.gz XOFJGUUGOVTPJV-AWEZNQCLSA-N 1 1 299.443 3.230 20 30 CGEDMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NCc1ccc(C#N)s1 ZINC000182683294 189331241 /nfs/dbraw/zinc/33/12/41/189331241.db2.gz XOFJGUUGOVTPJV-AWEZNQCLSA-N 1 1 299.443 3.230 20 30 CGEDMO CCn1nccc1C[NH2+][C@H](CCC#N)c1ccccc1 ZINC000119848215 370714258 /nfs/dbraw/zinc/71/42/58/370714258.db2.gz RIIXCJMCOKMVII-MRXNPFEDSA-N 1 1 268.364 3.038 20 30 CGEDMO C[C@@H]1C[N@H+](CCCSCC#N)C[C@H](c2ccsc2)O1 ZINC000120526154 370777175 /nfs/dbraw/zinc/77/71/75/370777175.db2.gz PBOXIHFZJCNLNA-TZMCWYRMSA-N 1 1 296.461 3.157 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCSCC#N)C[C@H](c2ccsc2)O1 ZINC000120526154 370777183 /nfs/dbraw/zinc/77/71/83/370777183.db2.gz PBOXIHFZJCNLNA-TZMCWYRMSA-N 1 1 296.461 3.157 20 30 CGEDMO Cc1cc(Cn2c[nH+]c3c2C[C@H](C)[C@H](C)C3)ccc1C#N ZINC000450996707 240186891 /nfs/dbraw/zinc/18/68/91/240186891.db2.gz GYEQBUALARSJQV-OLZOCXBDSA-N 1 1 279.387 3.482 20 30 CGEDMO CCn1cc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)cn1 ZINC000451888439 240376046 /nfs/dbraw/zinc/37/60/46/240376046.db2.gz JCUFTIFFNHCBNF-LLVKDONJSA-N 1 1 288.782 3.279 20 30 CGEDMO C=CCCC[N@@H+](C)[C@@H](C)c1nc(CCCC)no1 ZINC000121102012 370829580 /nfs/dbraw/zinc/82/95/80/370829580.db2.gz WYLDILYHEKVGPK-LBPRGKRZSA-N 1 1 251.374 3.371 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)c1nc(CCCC)no1 ZINC000121102012 370829582 /nfs/dbraw/zinc/82/95/82/370829582.db2.gz WYLDILYHEKVGPK-LBPRGKRZSA-N 1 1 251.374 3.371 20 30 CGEDMO C=CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000121423838 370859562 /nfs/dbraw/zinc/85/95/62/370859562.db2.gz LPYMFKQUJDCLHI-SECBINFHSA-N 1 1 287.190 3.438 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000121423838 370859568 /nfs/dbraw/zinc/85/95/68/370859568.db2.gz LPYMFKQUJDCLHI-SECBINFHSA-N 1 1 287.190 3.438 20 30 CGEDMO C=CC[N@@H+](C)CC(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000121439671 370861239 /nfs/dbraw/zinc/86/12/39/370861239.db2.gz SOHBAINZCLRHDC-INIZCTEOSA-N 1 1 274.408 3.008 20 30 CGEDMO C=CC[N@H+](C)CC(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000121439671 370861246 /nfs/dbraw/zinc/86/12/46/370861246.db2.gz SOHBAINZCLRHDC-INIZCTEOSA-N 1 1 274.408 3.008 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1nc2c(s1)CCC2 ZINC000459641109 242159995 /nfs/dbraw/zinc/15/99/95/242159995.db2.gz AMUJUZXEWUIRLU-SECBINFHSA-N 1 1 289.429 3.416 20 30 CGEDMO CCOC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)s1 ZINC000459678168 242176279 /nfs/dbraw/zinc/17/62/79/242176279.db2.gz RGCZLGZOYINIMC-GFCCVEGCSA-N 1 1 264.394 3.011 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000124772798 370926864 /nfs/dbraw/zinc/92/68/64/370926864.db2.gz UIZSDTZITLGRAT-AWEZNQCLSA-N 1 1 295.448 3.176 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)N(CC)c1ccccc1 ZINC000124000499 370916931 /nfs/dbraw/zinc/91/69/31/370916931.db2.gz YMULCIDWWJMISF-HNNXBMFYSA-N 1 1 274.408 3.326 20 30 CGEDMO C[C@H]1CCC[C@H]([N@@H+](C)CC(=O)Nc2sccc2C#N)C1 ZINC000026469563 368859967 /nfs/dbraw/zinc/85/99/67/368859967.db2.gz QXPWCFRKNABRNX-AAEUAGOBSA-N 1 1 291.420 3.069 20 30 CGEDMO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000537697957 376195243 /nfs/dbraw/zinc/19/52/43/376195243.db2.gz QZVJDLQVPOBQNV-PXAZEXFGSA-N 1 1 298.411 3.444 20 30 CGEDMO C=CCC[N@H+](C)Cc1c[nH]nc1-c1ccccc1F ZINC000276170892 193231965 /nfs/dbraw/zinc/23/19/65/193231965.db2.gz SKFWRMXLXDEMTK-UHFFFAOYSA-N 1 1 259.328 3.224 20 30 CGEDMO CCn1cc(CC[N@@H+](CC)[C@H](C)c2ccc(C#N)cc2)cn1 ZINC000276297556 193276712 /nfs/dbraw/zinc/27/67/12/193276712.db2.gz JDGUEISDDHUTEO-OAHLLOKOSA-N 1 1 296.418 3.400 20 30 CGEDMO CCC[N@@H+](CCc1ccnn1CC)Cc1ccc(C#N)cc1 ZINC000276333061 193290665 /nfs/dbraw/zinc/29/06/65/193290665.db2.gz RKOCOEPWIGVHKS-UHFFFAOYSA-N 1 1 296.418 3.229 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC(=O)N(c1ccccc1)C(C)C ZINC000061758533 369605792 /nfs/dbraw/zinc/60/57/92/369605792.db2.gz IQOJRMHPDUYAIS-UHFFFAOYSA-N 1 1 274.408 3.326 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)N(c1ccccc1)C(C)C ZINC000061758533 369605794 /nfs/dbraw/zinc/60/57/94/369605794.db2.gz IQOJRMHPDUYAIS-UHFFFAOYSA-N 1 1 274.408 3.326 20 30 CGEDMO C=CCC[N@@H+](C)Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC000276386688 193310359 /nfs/dbraw/zinc/31/03/59/193310359.db2.gz IUMUQQVBFPABBW-UHFFFAOYSA-N 1 1 290.798 3.143 20 30 CGEDMO C=CCC[N@H+](C)Cc1nnc(-c2ccc(Cl)cc2)n1C ZINC000276386688 193310361 /nfs/dbraw/zinc/31/03/61/193310361.db2.gz IUMUQQVBFPABBW-UHFFFAOYSA-N 1 1 290.798 3.143 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000276394943 193314016 /nfs/dbraw/zinc/31/40/16/193314016.db2.gz JQBBSCFZVPZVQB-CZUORRHYSA-N 1 1 297.826 3.286 20 30 CGEDMO C=CCC[N@@H+](C)Cc1csc(-c2ccccn2)n1 ZINC000276408244 193320054 /nfs/dbraw/zinc/32/00/54/193320054.db2.gz LHQRDGFOKHNDJG-UHFFFAOYSA-N 1 1 259.378 3.213 20 30 CGEDMO C=CCC[N@H+](C)Cc1csc(-c2ccccn2)n1 ZINC000276408244 193320056 /nfs/dbraw/zinc/32/00/56/193320056.db2.gz LHQRDGFOKHNDJG-UHFFFAOYSA-N 1 1 259.378 3.213 20 30 CGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCC(C)(C)C1 ZINC000070258995 369793462 /nfs/dbraw/zinc/79/34/62/369793462.db2.gz YFOAHLMGQUFRAJ-CYBMUJFWSA-N 1 1 285.391 3.007 20 30 CGEDMO N#Cc1ccccc1C[N@@H+](CCO)[C@H]1CCc2ccccc21 ZINC000074311783 369875100 /nfs/dbraw/zinc/87/51/00/369875100.db2.gz WMXJGRHHQQNMOD-IBGZPJMESA-N 1 1 292.382 3.040 20 30 CGEDMO N#Cc1ccccc1C[N@H+](CCO)[C@H]1CCc2ccccc21 ZINC000074311783 369875104 /nfs/dbraw/zinc/87/51/04/369875104.db2.gz WMXJGRHHQQNMOD-IBGZPJMESA-N 1 1 292.382 3.040 20 30 CGEDMO C=C(C)CN1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000076119834 369932046 /nfs/dbraw/zinc/93/20/46/369932046.db2.gz WAGJGFGLWGIWOG-INIZCTEOSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000076119834 369932049 /nfs/dbraw/zinc/93/20/49/369932049.db2.gz WAGJGFGLWGIWOG-INIZCTEOSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000076119834 369932051 /nfs/dbraw/zinc/93/20/51/369932051.db2.gz WAGJGFGLWGIWOG-INIZCTEOSA-N 1 1 258.409 3.159 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000076733887 369941575 /nfs/dbraw/zinc/94/15/75/369941575.db2.gz YZMRJHXDEJMQLK-AWEZNQCLSA-N 1 1 297.402 3.460 20 30 CGEDMO N#Cc1cccc(OCC[N@H+]2CCc3cc(F)ccc3C2)c1 ZINC000091894648 370077931 /nfs/dbraw/zinc/07/79/31/370077931.db2.gz BVZAQWGACVLMHB-UHFFFAOYSA-N 1 1 296.345 3.134 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@H]1CN1CCCCC1 ZINC000092219256 370095441 /nfs/dbraw/zinc/09/54/41/370095441.db2.gz HIFWHVFESQBZOD-MRXNPFEDSA-N 1 1 277.456 3.267 20 30 CGEDMO CC(C)(CCC#N)CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000092219256 370095444 /nfs/dbraw/zinc/09/54/44/370095444.db2.gz HIFWHVFESQBZOD-MRXNPFEDSA-N 1 1 277.456 3.267 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(O)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000092646365 370099981 /nfs/dbraw/zinc/09/99/81/370099981.db2.gz SVJPSUSMDUYDAH-UHFFFAOYSA-N 1 1 298.342 3.489 20 30 CGEDMO C=CC[N@H+](Cc1cccc(O)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000092646365 370099988 /nfs/dbraw/zinc/09/99/88/370099988.db2.gz SVJPSUSMDUYDAH-UHFFFAOYSA-N 1 1 298.342 3.489 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)o1)Cc1ccccc1O ZINC000092704987 370100208 /nfs/dbraw/zinc/10/02/08/370100208.db2.gz GZMKGTOCBVLZLV-UHFFFAOYSA-N 1 1 270.332 3.269 20 30 CGEDMO C=CCc1cc(C[N@H+]2CCC(C)(C)C2)cc(OC)c1O ZINC000093339841 370118224 /nfs/dbraw/zinc/11/82/24/370118224.db2.gz JAAPEBDHHGLWTC-UHFFFAOYSA-N 1 1 275.392 3.361 20 30 CGEDMO C=CCOc1ccccc1C[N@H+](C)CCSC ZINC000093509506 370139295 /nfs/dbraw/zinc/13/92/95/370139295.db2.gz FXIMZYMAQNBQRS-UHFFFAOYSA-N 1 1 251.395 3.046 20 30 CGEDMO CC(=O)Nc1cccc(C[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000101544247 370290260 /nfs/dbraw/zinc/29/02/60/370290260.db2.gz UHQUDSDWIUOVFA-UHFFFAOYSA-N 1 1 293.370 3.149 20 30 CGEDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCC[N@H+]1CCCC#N ZINC000102400466 370303908 /nfs/dbraw/zinc/30/39/08/370303908.db2.gz XVDYTNAVIUOEKY-UONOGXRCSA-N 1 1 295.427 3.058 20 30 CGEDMO C=CC[N@@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000108375605 370356958 /nfs/dbraw/zinc/35/69/58/370356958.db2.gz OFLFKRDUCNHQIG-UHFFFAOYSA-N 1 1 273.355 3.266 20 30 CGEDMO CCCC[N@@H+](CCOC)Cc1cn2ccccc2c1C#N ZINC000109333717 370362338 /nfs/dbraw/zinc/36/23/38/370362338.db2.gz WGQQWTZFVABDBV-UHFFFAOYSA-N 1 1 285.391 3.059 20 30 CGEDMO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000109784244 370366188 /nfs/dbraw/zinc/36/61/88/370366188.db2.gz KYUIBWIRQVVTFS-CYBMUJFWSA-N 1 1 266.344 3.457 20 30 CGEDMO CCCC(N)=[NH+]OCC(=O)Nc1c(C)cccc1C(C)C ZINC000105605418 370349708 /nfs/dbraw/zinc/34/97/08/370349708.db2.gz NRHPXWFCDJMXTO-UHFFFAOYSA-N 1 1 291.395 3.146 20 30 CGEDMO Cc1nc2c(s1)[C@H]([N@@H+](C)CCCCC#N)CCC2 ZINC000111312943 370396687 /nfs/dbraw/zinc/39/66/87/370396687.db2.gz FVNIHMHMEBPKKO-CYBMUJFWSA-N 1 1 263.410 3.455 20 30 CGEDMO C=CC[C@H](C)NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000116946065 370577008 /nfs/dbraw/zinc/57/70/08/370577008.db2.gz FLAXATKQSGKNCR-XHSDSOJGSA-N 1 1 295.471 3.008 20 30 CGEDMO CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000117343092 370587089 /nfs/dbraw/zinc/58/70/89/370587089.db2.gz CBMAQRBATNDTPH-OAHLLOKOSA-N 1 1 299.418 3.399 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1cccc(C#N)c1F ZINC000219509490 376201582 /nfs/dbraw/zinc/20/15/82/376201582.db2.gz FAHNWQYTGMWPKM-UHFFFAOYSA-N 1 1 279.318 3.201 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(C#N)c1F ZINC000219509490 376201591 /nfs/dbraw/zinc/20/15/91/376201591.db2.gz FAHNWQYTGMWPKM-UHFFFAOYSA-N 1 1 279.318 3.201 20 30 CGEDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000118850108 370627850 /nfs/dbraw/zinc/62/78/50/370627850.db2.gz WKCBDCMBNGMBTE-KMFMINBZSA-N 1 1 297.402 3.150 20 30 CGEDMO COCc1ccc([C@@H]2CCC[N@H+]2CCCSCC#N)o1 ZINC000130795299 371060217 /nfs/dbraw/zinc/06/02/17/371060217.db2.gz DXXXBMQHVMEULY-AWEZNQCLSA-N 1 1 294.420 3.210 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC000133111166 371227608 /nfs/dbraw/zinc/22/76/08/371227608.db2.gz WFHOMUSIYWLINE-UHFFFAOYSA-N 1 1 258.409 3.159 20 30 CGEDMO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)CCCCC#N ZINC000134229278 371313632 /nfs/dbraw/zinc/31/36/32/371313632.db2.gz MFVMOQGVGPWSIP-CZUORRHYSA-N 1 1 258.365 3.004 20 30 CGEDMO CS[C@H]1CCCC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000134585302 371351418 /nfs/dbraw/zinc/35/14/18/371351418.db2.gz ZUMXEHDANMHYTD-INIZCTEOSA-N 1 1 290.432 3.155 20 30 CGEDMO C[N@@H+](CCC1CC1)Cc1cn2ccccc2c1C#N ZINC000135250673 371405776 /nfs/dbraw/zinc/40/57/76/371405776.db2.gz YQNFJFKYZQPXLK-UHFFFAOYSA-N 1 1 253.349 3.043 20 30 CGEDMO N#Cc1ccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134897001 371371889 /nfs/dbraw/zinc/37/18/89/371371889.db2.gz RMNNTDWIGOOMHV-IEBWSBKVSA-N 1 1 295.430 3.007 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc1 ZINC000134897001 371371907 /nfs/dbraw/zinc/37/19/07/371371907.db2.gz RMNNTDWIGOOMHV-IEBWSBKVSA-N 1 1 295.430 3.007 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc1 ZINC000134897001 371371911 /nfs/dbraw/zinc/37/19/11/371371911.db2.gz RMNNTDWIGOOMHV-IEBWSBKVSA-N 1 1 295.430 3.007 20 30 CGEDMO C[C@@H]1CCC[C@@](C[NH2+]Cc2ccc(C#N)s2)(N(C)C)C1 ZINC000135685712 371444457 /nfs/dbraw/zinc/44/44/57/371444457.db2.gz DXIZTMQEPYWYFW-CZUORRHYSA-N 1 1 291.464 3.220 20 30 CGEDMO COCCc1cc[nH+]c(N[C@H](C)c2cccc(C#N)c2)c1 ZINC000287600373 371680768 /nfs/dbraw/zinc/68/07/68/371680768.db2.gz RYAHJCKCQCUSEV-CYBMUJFWSA-N 1 1 281.359 3.315 20 30 CGEDMO N#Cc1ccc(C[N@@H+](CCOC2CCC2)C2CC2)cc1 ZINC000287431247 371654773 /nfs/dbraw/zinc/65/47/73/371654773.db2.gz UFEYIZMMKIHFNC-UHFFFAOYSA-N 1 1 270.376 3.092 20 30 CGEDMO C[C@H]1C[N@H+](Cc2ccccc2C#N)CCC1(F)F ZINC000289650577 371782105 /nfs/dbraw/zinc/78/21/05/371782105.db2.gz DSZLELALSFICEL-NSHDSACASA-N 1 1 250.292 3.035 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2C#N)CCC1(F)F ZINC000289650577 371782116 /nfs/dbraw/zinc/78/21/16/371782116.db2.gz DSZLELALSFICEL-NSHDSACASA-N 1 1 250.292 3.035 20 30 CGEDMO CCC[N@@H+](Cc1c(C)nn(C)c1C)Cc1ccc(C#N)cc1 ZINC000154886790 371887109 /nfs/dbraw/zinc/88/71/09/371887109.db2.gz LSNURAYAYMPCEX-UHFFFAOYSA-N 1 1 296.418 3.321 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000344064466 217035254 /nfs/dbraw/zinc/03/52/54/217035254.db2.gz OIJLKEREWPIFKA-HNNXBMFYSA-N 1 1 270.376 3.189 20 30 CGEDMO CCC[C@H](C)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344067065 217036072 /nfs/dbraw/zinc/03/60/72/217036072.db2.gz ILSGVCIQLPPCRY-AWEZNQCLSA-N 1 1 260.381 3.195 20 30 CGEDMO C=CCC[C@H](CC)[NH2+][C@@H](C)c1noc(COCC)n1 ZINC000290178965 371924170 /nfs/dbraw/zinc/92/41/70/371924170.db2.gz NJEWXGIXGARWBX-RYUDHWBXSA-N 1 1 267.373 3.002 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)N(CC)Cc1ccccc1 ZINC000156146456 371963813 /nfs/dbraw/zinc/96/38/13/371963813.db2.gz XFJUOINKPHMDLZ-INIZCTEOSA-N 1 1 288.435 3.322 20 30 CGEDMO CC#CCC[N@H+](C)[C@@H]1CCCc2nc(CC)sc21 ZINC000156765516 371993865 /nfs/dbraw/zinc/99/38/65/371993865.db2.gz ULEUYWWYLJVGMZ-CYBMUJFWSA-N 1 1 262.422 3.428 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000157917055 372041217 /nfs/dbraw/zinc/04/12/17/372041217.db2.gz COOMCOQBIBXRCA-OAHLLOKOSA-N 1 1 257.381 3.113 20 30 CGEDMO C=CC[C@H](C(=O)N[C@H](C)C[N@H+](C)C(C)C)c1ccccc1 ZINC000290973632 372084615 /nfs/dbraw/zinc/08/46/15/372084615.db2.gz UGXCEQUQUBRXGF-WBVHZDCISA-N 1 1 288.435 3.191 20 30 CGEDMO N#CCC[N@@H+](Cc1cccnc1)C[C@@H]1CC=CCC1 ZINC000159025030 372100696 /nfs/dbraw/zinc/10/06/96/372100696.db2.gz LMKKIBSZFONHHN-OAHLLOKOSA-N 1 1 255.365 3.154 20 30 CGEDMO N#CCC[N@H+](Cc1cccnc1)C[C@@H]1CC=CCC1 ZINC000159025030 372100701 /nfs/dbraw/zinc/10/07/01/372100701.db2.gz LMKKIBSZFONHHN-OAHLLOKOSA-N 1 1 255.365 3.154 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(OCCOC)cc1 ZINC000426570516 372164430 /nfs/dbraw/zinc/16/44/30/372164430.db2.gz MILBJVSVYDQAQO-MRXNPFEDSA-N 1 1 275.392 3.252 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H](C)CC1CCOCC1 ZINC000426574047 372164982 /nfs/dbraw/zinc/16/49/82/372164982.db2.gz TVFCLRWETVHWOT-GOEBONIOSA-N 1 1 251.414 3.480 20 30 CGEDMO C[C@@H]1CCC[N@H+](CCC(C)(C)C#N)[C@H]1C(=O)OC(C)(C)C ZINC000425509081 372129309 /nfs/dbraw/zinc/12/93/09/372129309.db2.gz IAIZZQJPPSDVGL-ZIAGYGMSSA-N 1 1 294.439 3.368 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCC(C)(C)C#N)[C@H]1C(=O)OC(C)(C)C ZINC000425509081 372129313 /nfs/dbraw/zinc/12/93/13/372129313.db2.gz IAIZZQJPPSDVGL-ZIAGYGMSSA-N 1 1 294.439 3.368 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@](CC)(CO)C2)cc1 ZINC000428489633 372222739 /nfs/dbraw/zinc/22/27/39/372222739.db2.gz WJISVXOXQCTOLK-SFHVURJKSA-N 1 1 289.419 3.236 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292884713 372237998 /nfs/dbraw/zinc/23/79/98/372237998.db2.gz FEKFJMRABBMYPY-YJBOKZPZSA-N 1 1 283.419 3.037 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000292884713 372238006 /nfs/dbraw/zinc/23/80/06/372238006.db2.gz FEKFJMRABBMYPY-YJBOKZPZSA-N 1 1 283.419 3.037 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000292884713 372238009 /nfs/dbraw/zinc/23/80/09/372238009.db2.gz FEKFJMRABBMYPY-YJBOKZPZSA-N 1 1 283.419 3.037 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)CCC1CCOCC1 ZINC000292970378 372264542 /nfs/dbraw/zinc/26/45/42/372264542.db2.gz PZBHKNMVSJXHRN-UHFFFAOYSA-N 1 1 263.381 3.127 20 30 CGEDMO CSC[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000429284501 372337987 /nfs/dbraw/zinc/33/79/87/372337987.db2.gz MBNIRJLGVBKXFK-HNNXBMFYSA-N 1 1 274.433 3.442 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+]1CC[C@H](C(=O)OC)[C@@H]1C(C)C ZINC000429363847 372355579 /nfs/dbraw/zinc/35/55/79/372355579.db2.gz PVVHPSJFDYWODT-KKUMJFAQSA-N 1 1 267.413 3.251 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)Cc1csc(CCC)n1 ZINC000429715749 372377124 /nfs/dbraw/zinc/37/71/24/372377124.db2.gz IUFBULVCIOZFKV-UHFFFAOYSA-N 1 1 281.469 3.035 20 30 CGEDMO CCOc1ccc(C[N@@H+](C)[C@H]2CC[C@H](C#N)C2)cc1 ZINC000429724283 372377767 /nfs/dbraw/zinc/37/77/67/372377767.db2.gz WNFRDMJWWRQURN-GJZGRUSLSA-N 1 1 258.365 3.209 20 30 CGEDMO C=CCC(C)(C)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000429854490 372379404 /nfs/dbraw/zinc/37/94/04/372379404.db2.gz PSZHSARHOYZUEG-HNNXBMFYSA-N 1 1 280.456 3.217 20 30 CGEDMO C[N@@H+](CCc1ccncc1)Cc1ccc(C#N)cc1Cl ZINC000162872030 372431527 /nfs/dbraw/zinc/43/15/27/372431527.db2.gz SRTJHQSNUMZQNX-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO C=CCOCC[N@@H+](CCc1ccccc1)Cc1cccnc1 ZINC000293685378 372450077 /nfs/dbraw/zinc/45/00/77/372450077.db2.gz AWYJMQOUFGIDTP-UHFFFAOYSA-N 1 1 296.414 3.329 20 30 CGEDMO C=CCC(C)(C)CNC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000432106006 372537006 /nfs/dbraw/zinc/53/70/06/372537006.db2.gz GWXGWPGONPJUMO-CABCVRRESA-N 1 1 295.471 3.008 20 30 CGEDMO C=CCC(C)(C)CNC(=O)N[C@@H](C)C[N@H+](CC)CCC ZINC000432351783 372564572 /nfs/dbraw/zinc/56/45/72/372564572.db2.gz QSLMQFJWBMUGBV-AWEZNQCLSA-N 1 1 283.460 3.008 20 30 CGEDMO CC(C)c1nnc(C[NH2+][C@@H](CCCC#N)c2ccccc2)[nH]1 ZINC000433017111 372578246 /nfs/dbraw/zinc/57/82/46/372578246.db2.gz XMNYZJCNQYKZHD-HNNXBMFYSA-N 1 1 297.406 3.453 20 30 CGEDMO C[C@@H](c1ccncc1)[N@@H+](C)CCOc1ccccc1C#N ZINC000171934143 372857571 /nfs/dbraw/zinc/85/75/71/372857571.db2.gz HROVLTHUWSFCHZ-AWEZNQCLSA-N 1 1 281.359 3.025 20 30 CGEDMO C=CCCCNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437878012 372859455 /nfs/dbraw/zinc/85/94/55/372859455.db2.gz ZYCOIZLOUPUNLS-MRXNPFEDSA-N 1 1 293.455 3.049 20 30 CGEDMO CC[N@@H+](CC#Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 ZINC000177176284 261339178 /nfs/dbraw/zinc/33/91/78/261339178.db2.gz ANRDPCSHQCXHPE-INIZCTEOSA-N 1 1 277.795 3.192 20 30 CGEDMO C[C@@H]1Cc2c([nH+]cn2Cc2ccc(C#N)cc2F)C[C@@H]1C ZINC000295932156 372963696 /nfs/dbraw/zinc/96/36/96/372963696.db2.gz KIBQBTDPEZLCJO-NWDGAFQWSA-N 1 1 283.350 3.313 20 30 CGEDMO CO[C@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)CC1(C)C ZINC000296127444 373029448 /nfs/dbraw/zinc/02/94/48/373029448.db2.gz SDDGQEBODPZNGU-HNNXBMFYSA-N 1 1 292.810 3.459 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)CC1(C)C ZINC000296127444 373029461 /nfs/dbraw/zinc/02/94/61/373029461.db2.gz SDDGQEBODPZNGU-HNNXBMFYSA-N 1 1 292.810 3.459 20 30 CGEDMO Cc1cc(CNC[C@H](C)[N@@H+]2CCCC[C@@H]2C)ccc1C#N ZINC000443974776 373164127 /nfs/dbraw/zinc/16/41/27/373164127.db2.gz WFQKOZFTUBNSAI-HOTGVXAUSA-N 1 1 285.435 3.219 20 30 CGEDMO Cc1cc(CNC[C@H](C)[N@H+]2CCCC[C@@H]2C)ccc1C#N ZINC000443974776 373164135 /nfs/dbraw/zinc/16/41/35/373164135.db2.gz WFQKOZFTUBNSAI-HOTGVXAUSA-N 1 1 285.435 3.219 20 30 CGEDMO C=CC[C@@H]1N(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CCCC1(C)C ZINC000444641491 373219130 /nfs/dbraw/zinc/21/91/30/373219130.db2.gz VDMUWVJEBCTJAP-XHSDSOJGSA-N 1 1 292.467 3.453 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCCC(C)(C)[C@@H]1CC=C ZINC000444776933 373272066 /nfs/dbraw/zinc/27/20/66/373272066.db2.gz QPFSXLZSAOOLRR-CABCVRRESA-N 1 1 251.414 3.380 20 30 CGEDMO C=CC[C@H]1[N@@H+](CCC(=O)NCCCC)CCCC1(C)C ZINC000444785247 373274997 /nfs/dbraw/zinc/27/49/97/373274997.db2.gz PYGPECLGOXEFCT-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO CC(C)C[C@H](CO)[N@@H+](C)CCCCC(C)(C)C#N ZINC000444676502 373232381 /nfs/dbraw/zinc/23/23/81/373232381.db2.gz QPIGVIFXFAYXBF-CQSZACIVSA-N 1 1 254.418 3.045 20 30 CGEDMO C[C@H](c1cnn(C)c1)[N@@H+](C)CCCCC(C)(C)C#N ZINC000444690957 373237085 /nfs/dbraw/zinc/23/70/85/373237085.db2.gz WEGNYOFSFKLUNA-CYBMUJFWSA-N 1 1 262.401 3.133 20 30 CGEDMO CC(C)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000444764812 373261401 /nfs/dbraw/zinc/26/14/01/373261401.db2.gz CHSBTRZAEHVDOA-INIZCTEOSA-N 1 1 299.418 3.255 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@H](c2ccccc2)[C@H]2CCCO2)o1 ZINC000174320084 373290406 /nfs/dbraw/zinc/29/04/06/373290406.db2.gz CAFJVQQFTIIJGO-IAGOWNOFSA-N 1 1 282.343 3.161 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@H]2CCCOc3ccccc32)o1 ZINC000174327813 373292234 /nfs/dbraw/zinc/29/22/34/373292234.db2.gz UKOQQMXBJORDLG-HNNXBMFYSA-N 1 1 268.316 3.155 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)[C@H](C)c1nnc(C)o1 ZINC000298321680 373294799 /nfs/dbraw/zinc/29/47/99/373294799.db2.gz ZFFJFAWORQONLC-CYBMUJFWSA-N 1 1 271.364 3.170 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)[C@H](C)c1nnc(C)o1 ZINC000298321680 373294805 /nfs/dbraw/zinc/29/48/05/373294805.db2.gz ZFFJFAWORQONLC-CYBMUJFWSA-N 1 1 271.364 3.170 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+](C)C1CCC(C)(C)CC1 ZINC000446710655 373341353 /nfs/dbraw/zinc/34/13/53/373341353.db2.gz GYWYEFPWWQODAF-UHFFFAOYSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CCCCC1 ZINC000448709184 373636499 /nfs/dbraw/zinc/63/64/99/373636499.db2.gz OOIFHGCSSXMQIJ-JKSUJKDBSA-N 1 1 290.451 3.256 20 30 CGEDMO C=C(C)C[N@@H+](CC)C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449002219 373654114 /nfs/dbraw/zinc/65/41/14/373654114.db2.gz JTVGUYSMQJMYEQ-AWEZNQCLSA-N 1 1 295.448 3.092 20 30 CGEDMO CC(C)C[C@@]1(C)CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000449432752 373712073 /nfs/dbraw/zinc/71/20/73/373712073.db2.gz IZTUVNWUNCLRCM-CQSZACIVSA-N 1 1 263.410 3.415 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)CC(C)(C)CO)cc1Cl ZINC000449428254 373703034 /nfs/dbraw/zinc/70/30/34/373703034.db2.gz TUTSFXPNFHPLNP-UHFFFAOYSA-N 1 1 297.826 3.355 20 30 CGEDMO N#Cc1cccc(NC[C@@H]2CCC[N@H+]2CC2CCCCC2)n1 ZINC000301284575 373728762 /nfs/dbraw/zinc/72/87/62/373728762.db2.gz QBRVXJPUVXOFAS-KRWDZBQOSA-N 1 1 298.434 3.410 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCNc1c(Cl)cccc1C#N ZINC000301332865 373749083 /nfs/dbraw/zinc/74/90/83/373749083.db2.gz BTUVFSMBMBJOSX-LBPRGKRZSA-N 1 1 277.799 3.498 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CCCC1 ZINC000449612872 373836106 /nfs/dbraw/zinc/83/61/06/373836106.db2.gz PCLJFTPZBHGHQZ-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](OCC)[C@@H](C)C2)cc1 ZINC000449492356 373784423 /nfs/dbraw/zinc/78/44/23/373784423.db2.gz JBRDVCDHQJNQAJ-MAUKXSAKSA-N 1 1 289.419 3.498 20 30 CGEDMO CCO[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(C)c2)C[C@@H]1C ZINC000449497977 373793523 /nfs/dbraw/zinc/79/35/23/373793523.db2.gz KXHAKMHOVHYRKQ-WMLDXEAASA-N 1 1 272.392 3.114 20 30 CGEDMO CC(C)(C)C[C@@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000449778414 373907371 /nfs/dbraw/zinc/90/73/71/373907371.db2.gz SDZGOKRCKIUVRK-AWEZNQCLSA-N 1 1 296.418 3.464 20 30 CGEDMO CC(C)C[N@@H+](Cc1cnc2ccc(C#N)cn12)C(C)C ZINC000179702873 373908101 /nfs/dbraw/zinc/90/81/01/373908101.db2.gz XVFXUMXTXOSLMM-UHFFFAOYSA-N 1 1 270.380 3.072 20 30 CGEDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc(C#N)cc1F ZINC000303505092 374021521 /nfs/dbraw/zinc/02/15/21/374021521.db2.gz ZKTBOKQQSIHGCP-HZSPNIEDSA-N 1 1 289.398 3.476 20 30 CGEDMO CC1(C)CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000303891053 374029662 /nfs/dbraw/zinc/02/96/62/374029662.db2.gz PNCCVRKZEVSKOC-UHFFFAOYSA-N 1 1 299.418 3.399 20 30 CGEDMO CCC1(CO)CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000305724611 374102217 /nfs/dbraw/zinc/10/22/17/374102217.db2.gz JBHURCVPBJYJPI-UHFFFAOYSA-N 1 1 291.822 3.176 20 30 CGEDMO C=CC[N@H+](Cc1cnoc1C)Cc1ccc(OC)cc1 ZINC000181650817 374150121 /nfs/dbraw/zinc/15/01/21/374150121.db2.gz UPYIEEQZOZYLCN-UHFFFAOYSA-N 1 1 272.348 3.180 20 30 CGEDMO C=CC[N@@H+](Cc1cnoc1C)Cc1ccc(OC)cc1 ZINC000181650817 374150125 /nfs/dbraw/zinc/15/01/25/374150125.db2.gz UPYIEEQZOZYLCN-UHFFFAOYSA-N 1 1 272.348 3.180 20 30 CGEDMO N#CC1(C[N@H+](CCCO)[C@@H]2CCCc3ccccc32)CCC1 ZINC000450467713 374151663 /nfs/dbraw/zinc/15/16/63/374151663.db2.gz JPQKWGZBUVPKRB-GOSISDBHSA-N 1 1 298.430 3.442 20 30 CGEDMO C=CC[N@@H+](CCO[C@@H]1CCCCO1)CCc1ccccc1 ZINC000181662937 374152624 /nfs/dbraw/zinc/15/26/24/374152624.db2.gz OLGQWUFLFKTJLV-GOSISDBHSA-N 1 1 289.419 3.260 20 30 CGEDMO N#Cc1cc(C[NH+]2CCC(C(F)F)CC2)ccc1F ZINC000307869017 374155064 /nfs/dbraw/zinc/15/50/64/374155064.db2.gz GAOIASOFIVZQHH-UHFFFAOYSA-N 1 1 268.282 3.174 20 30 CGEDMO N#Cc1ccc(C[NH+]2CCC(C(F)F)CC2)c(F)c1 ZINC000307882950 374155366 /nfs/dbraw/zinc/15/53/66/374155366.db2.gz USVWIPDGOSBVDL-UHFFFAOYSA-N 1 1 268.282 3.174 20 30 CGEDMO C=CCC1(C(=O)NCC[N@@H+]2CC=C(C)CC2)CCCCC1 ZINC000450629535 374167816 /nfs/dbraw/zinc/16/78/16/374167816.db2.gz YIDBHUIKJOUREI-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CCC1)c1cnn(Cc2ccccc2)c1 ZINC000450737846 374174305 /nfs/dbraw/zinc/17/43/05/374174305.db2.gz KYHPCSIITZOXBB-OAHLLOKOSA-N 1 1 294.402 3.276 20 30 CGEDMO C=C(C)C[NH+]1CCC([NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000182188006 374231000 /nfs/dbraw/zinc/23/10/00/374231000.db2.gz OAWREOIDQOLGIJ-UHFFFAOYSA-N 1 1 294.826 3.176 20 30 CGEDMO CC(C)[N@H+](C)C[C@H](C)Nc1cc(C#N)c2ccccc2n1 ZINC000314578238 374319818 /nfs/dbraw/zinc/31/98/18/374319818.db2.gz VOSWJJRMZFTWLM-ZDUSSCGKSA-N 1 1 282.391 3.247 20 30 CGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000317696653 374340437 /nfs/dbraw/zinc/34/04/37/374340437.db2.gz CQRFFOSHUXSJAI-UKRRQHHQSA-N 1 1 299.418 3.253 20 30 CGEDMO C[C@H](C1CCC1)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000325635338 374359290 /nfs/dbraw/zinc/35/92/90/374359290.db2.gz YMUFKPLBEKMZCB-CYBMUJFWSA-N 1 1 258.365 3.057 20 30 CGEDMO O=C(N[C@@H]1CCc2nc[nH]c2C1)[C@@H]1CCCC(F)(F)C1 ZINC000328649093 374373594 /nfs/dbraw/zinc/37/35/94/374373594.db2.gz IKZLHFKNHAWWBR-NXEZZACHSA-N 1 1 283.322 3.049 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C(C)(C)C1 ZINC000332143671 374556559 /nfs/dbraw/zinc/55/65/59/374556559.db2.gz MXVKLNCIXPTKQW-GFCCVEGCSA-N 1 1 296.374 3.229 20 30 CGEDMO CC[C@H]1[C@@H](C)CC[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000185601140 374696101 /nfs/dbraw/zinc/69/61/01/374696101.db2.gz MFGAJFMWEYIUIL-ZFWWWQNUSA-N 1 1 288.391 3.066 20 30 CGEDMO C[C@H]1CC[C@@]2(CC[N@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C2)C1 ZINC000459399229 374806729 /nfs/dbraw/zinc/80/67/29/374806729.db2.gz BHHUUSWAEDELAQ-SUMWQHHRSA-N 1 1 299.374 3.479 20 30 CGEDMO C[C@H]1CC[C@@]2(CC[N@@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C2)C1 ZINC000459399229 374806739 /nfs/dbraw/zinc/80/67/39/374806739.db2.gz BHHUUSWAEDELAQ-SUMWQHHRSA-N 1 1 299.374 3.479 20 30 CGEDMO C=CCSCC[NH2+][C@H](C)c1ccc(F)cc1O ZINC000185968791 374777005 /nfs/dbraw/zinc/77/70/05/374777005.db2.gz TXVTZNXUUFWWES-SNVBAGLBSA-N 1 1 255.358 3.101 20 30 CGEDMO C[C@H]1Oc2cc(F)ccc2[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000334582761 374883002 /nfs/dbraw/zinc/88/30/02/374883002.db2.gz OIYUTCQKEJZVID-RFAUZJTJSA-N 1 1 288.347 3.371 20 30 CGEDMO C=CCOCCC[N@H+](C)[C@H]1CCc2ccccc2C1 ZINC000470768531 374998497 /nfs/dbraw/zinc/99/84/97/374998497.db2.gz AROSBSXCHQHQIU-KRWDZBQOSA-N 1 1 259.393 3.068 20 30 CGEDMO C=CCOCCC[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000470778890 374999437 /nfs/dbraw/zinc/99/94/37/374999437.db2.gz JYKUULXMQIJAMV-QGZVFWFLSA-N 1 1 259.393 3.144 20 30 CGEDMO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC#Cc1ccccc1 ZINC000470939109 375000479 /nfs/dbraw/zinc/00/04/79/375000479.db2.gz BWSBFHKWWYTYAN-GXTWGEPZSA-N 1 1 267.294 3.311 20 30 CGEDMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CC#Cc1ccccc1 ZINC000470939109 375000488 /nfs/dbraw/zinc/00/04/88/375000488.db2.gz BWSBFHKWWYTYAN-GXTWGEPZSA-N 1 1 267.294 3.311 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000187340958 375007322 /nfs/dbraw/zinc/00/73/22/375007322.db2.gz RYSATAXJUGFPCQ-UHFFFAOYSA-N 1 1 287.382 3.469 20 30 CGEDMO C=C(C)[C@H]([NH2+]Cc1ccnn1C)c1ccc(F)c(F)c1 ZINC000187370159 375010011 /nfs/dbraw/zinc/01/00/11/375010011.db2.gz NFNUMCQXVCXAEA-HNNXBMFYSA-N 1 1 277.318 3.105 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000472731523 375031466 /nfs/dbraw/zinc/03/14/66/375031466.db2.gz LNXJTOHBYNKVGZ-ZBFHGGJFSA-N 1 1 279.811 3.456 20 30 CGEDMO C=CCCCCNC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000472838871 375036490 /nfs/dbraw/zinc/03/64/90/375036490.db2.gz XBBNYBODAVUUCU-HNNXBMFYSA-N 1 1 295.471 3.152 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCC(=O)OC(C)(C)C ZINC000187702705 375077632 /nfs/dbraw/zinc/07/76/32/375077632.db2.gz BFZFHAVFYLPVCS-ZDUSSCGKSA-N 1 1 288.391 3.283 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCc1nccs1 ZINC000187711049 375079967 /nfs/dbraw/zinc/07/99/67/375079967.db2.gz PKUSWRKXJSJXGE-GFCCVEGCSA-N 1 1 271.389 3.250 20 30 CGEDMO C=CCC[C@H](C(=O)NCC[N@@H+]1CC=CCC1)c1ccccc1 ZINC000477629936 375145107 /nfs/dbraw/zinc/14/51/07/375145107.db2.gz VBXBWUMPRHGQHK-SFHVURJKSA-N 1 1 298.430 3.115 20 30 CGEDMO C=C(C)C[N@@H+](C)CCCc1nc(-c2cccs2)no1 ZINC000481268411 375163635 /nfs/dbraw/zinc/16/36/35/375163635.db2.gz JWJJOEKYNJSZNF-UHFFFAOYSA-N 1 1 277.393 3.239 20 30 CGEDMO C[C@H]1CCCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000187919360 375116897 /nfs/dbraw/zinc/11/68/97/375116897.db2.gz KWCAIJQEEJZTAQ-ZDUSSCGKSA-N 1 1 296.374 3.230 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000335241962 375255566 /nfs/dbraw/zinc/25/55/66/375255566.db2.gz UDIUWQUQLYBGAX-YOEHRIQHSA-N 1 1 270.376 3.122 20 30 CGEDMO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)CC#Cc1ccccc1 ZINC000484084824 375186502 /nfs/dbraw/zinc/18/65/02/375186502.db2.gz LQODBPWKGWNPKP-UZLBHIALSA-N 1 1 291.394 3.362 20 30 CGEDMO C=CC[N@H+](CC(=O)N1CCC(C)CC1)CC1CCCCC1 ZINC000484540340 375188797 /nfs/dbraw/zinc/18/87/97/375188797.db2.gz GFJPKRNNARLRKL-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO COCC[N@@H+](CC#Cc1ccccc1)C[C@H]1CC=CCC1 ZINC000485106272 375191257 /nfs/dbraw/zinc/19/12/57/375191257.db2.gz NROIYNYUWVFFAY-IBGZPJMESA-N 1 1 283.415 3.343 20 30 CGEDMO Cc1ncsc1C[N@@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000487900645 375283043 /nfs/dbraw/zinc/28/30/43/375283043.db2.gz YQUWFTFEXLLJDM-UHFFFAOYSA-N 1 1 271.389 3.264 20 30 CGEDMO Cc1ncsc1C[N@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000487900645 375283048 /nfs/dbraw/zinc/28/30/48/375283048.db2.gz YQUWFTFEXLLJDM-UHFFFAOYSA-N 1 1 271.389 3.264 20 30 CGEDMO COCC[N@@H+](CCCC(C)(C)C#N)[C@H]1CCC[C@@H]1C ZINC000487964938 375288111 /nfs/dbraw/zinc/28/81/11/375288111.db2.gz VIUWMBOPNRBRRU-GJZGRUSLSA-N 1 1 266.429 3.453 20 30 CGEDMO C=CC[N@@H+](CC[C@H]1CCCO1)Cc1cccc(C#N)c1 ZINC000188916343 375291138 /nfs/dbraw/zinc/29/11/38/375291138.db2.gz MMVBQIMQMBMAAX-QGZVFWFLSA-N 1 1 270.376 3.115 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)N(CC)c1ccccc1 ZINC000489477683 375318752 /nfs/dbraw/zinc/31/87/52/375318752.db2.gz JTEPLJBTAMDXBJ-OAHLLOKOSA-N 1 1 272.392 3.080 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N(CC)c1ccccc1 ZINC000489477683 375318758 /nfs/dbraw/zinc/31/87/58/375318758.db2.gz JTEPLJBTAMDXBJ-OAHLLOKOSA-N 1 1 272.392 3.080 20 30 CGEDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000335820023 375457055 /nfs/dbraw/zinc/45/70/55/375457055.db2.gz RXIOOYVQCRPKNI-INIZCTEOSA-N 1 1 276.355 3.088 20 30 CGEDMO CC(C)(O)C[N@@H+](Cc1ccccc1C(C)(C)C#N)C1CC1 ZINC000189903167 375459083 /nfs/dbraw/zinc/45/90/83/375459083.db2.gz AKVXNTINJKLHHO-UHFFFAOYSA-N 1 1 286.419 3.223 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@]3(CCCOC3)C2)s1 ZINC000335800995 375442425 /nfs/dbraw/zinc/44/24/25/375442425.db2.gz SPKWYFWIRLILHY-OAHLLOKOSA-N 1 1 276.405 3.012 20 30 CGEDMO C=CCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000493990039 375484747 /nfs/dbraw/zinc/48/47/47/375484747.db2.gz WPSSFAHKDYGCTD-YIONKMFJSA-N 1 1 294.439 3.425 20 30 CGEDMO N#CC1(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000494492953 375488911 /nfs/dbraw/zinc/48/89/11/375488911.db2.gz IWVZQTOBUJGVGT-KGLIPLIRSA-N 1 1 294.757 3.202 20 30 CGEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCSC1 ZINC000494982303 375495603 /nfs/dbraw/zinc/49/56/03/375495603.db2.gz VVTDIHJHFOLTAW-AWEZNQCLSA-N 1 1 292.404 3.336 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](CC)Cc1c[nH]c2ccccc12 ZINC000190495397 375517367 /nfs/dbraw/zinc/51/73/67/375517367.db2.gz HNSQGHCKVUZJKV-HNNXBMFYSA-N 1 1 272.392 3.317 20 30 CGEDMO CCC[N@@H+](CCc1cccc(F)c1)Cc1cc(C#N)n(C)c1 ZINC000191367490 375619347 /nfs/dbraw/zinc/61/93/47/375619347.db2.gz AJHLCAIYBXPHQQ-UHFFFAOYSA-N 1 1 299.393 3.491 20 30 CGEDMO CC(C)C[C@]1(CO)CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000191661621 375648816 /nfs/dbraw/zinc/64/88/16/375648816.db2.gz XCGCXWBXHVFGMS-KRWDZBQOSA-N 1 1 290.382 3.070 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)[C@H](CC)C(=O)OCC ZINC000191672292 375650642 /nfs/dbraw/zinc/65/06/42/375650642.db2.gz DNLGSNQGTYYIHB-MRXNPFEDSA-N 1 1 288.391 3.112 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@H](CC)C(=O)OCC ZINC000191672292 375650652 /nfs/dbraw/zinc/65/06/52/375650652.db2.gz DNLGSNQGTYYIHB-MRXNPFEDSA-N 1 1 288.391 3.112 20 30 CGEDMO COc1ccccc1CCC[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000505568562 375659900 /nfs/dbraw/zinc/65/99/00/375659900.db2.gz LDRKTDOZUVCKIT-CQSZACIVSA-N 1 1 272.392 3.252 20 30 CGEDMO N#Cc1ccc(Br)c(C[NH+]2CCCCC2)c1 ZINC000191774733 375661125 /nfs/dbraw/zinc/66/11/25/375661125.db2.gz SXJMSBQSHZIENV-UHFFFAOYSA-N 1 1 279.181 3.307 20 30 CGEDMO CN(CC[N@@H+](C)C1CCCCC1)c1cccc(F)c1C#N ZINC000507030415 375669277 /nfs/dbraw/zinc/66/92/77/375669277.db2.gz TVFVLKGCOFYOMS-UHFFFAOYSA-N 1 1 289.398 3.398 20 30 CGEDMO CC[N@H+](Cc1ccc(C#N)c(F)c1)Cc1ccccn1 ZINC000192068937 375694852 /nfs/dbraw/zinc/69/48/52/375694852.db2.gz SHRNOVDMCMWVRD-UHFFFAOYSA-N 1 1 269.323 3.114 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)c(F)c1)Cc1ccccn1 ZINC000192068937 375694857 /nfs/dbraw/zinc/69/48/57/375694857.db2.gz SHRNOVDMCMWVRD-UHFFFAOYSA-N 1 1 269.323 3.114 20 30 CGEDMO CS[C@@H]1CCCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000192120811 375700523 /nfs/dbraw/zinc/70/05/23/375700523.db2.gz HBHKKDKFSKVPPD-CQSZACIVSA-N 1 1 278.396 3.415 20 30 CGEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192137318 375702678 /nfs/dbraw/zinc/70/26/78/375702678.db2.gz KHBDSAFGGSNPCQ-MRXNPFEDSA-N 1 1 298.365 3.374 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)c(Cl)c1 ZINC000336159196 375735478 /nfs/dbraw/zinc/73/54/78/375735478.db2.gz OSECVPXRDKSUEA-ZFWWWQNUSA-N 1 1 290.794 3.070 20 30 CGEDMO C=C(C)CC[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000509383060 375779254 /nfs/dbraw/zinc/77/92/54/375779254.db2.gz CXCNPNXRZMABQQ-UHFFFAOYSA-N 1 1 278.371 3.441 20 30 CGEDMO C=CCCCCCN(C)C(=O)NC[C@@H]1CCC[N@@H+]1CCC ZINC000511915460 375793440 /nfs/dbraw/zinc/79/34/40/375793440.db2.gz GWPQNTWFCPTGPT-INIZCTEOSA-N 1 1 295.471 3.249 20 30 CGEDMO C=CCCCC[N@@H+](C)Cc1nccn1CC(F)(F)F ZINC000519801525 375851493 /nfs/dbraw/zinc/85/14/93/375851493.db2.gz OQSPTKYWFNIGPU-UHFFFAOYSA-N 1 1 275.318 3.234 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1nccn1CC(F)(F)F ZINC000519801525 375851498 /nfs/dbraw/zinc/85/14/98/375851498.db2.gz OQSPTKYWFNIGPU-UHFFFAOYSA-N 1 1 275.318 3.234 20 30 CGEDMO COC[C@@H](C)C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000526114466 375890318 /nfs/dbraw/zinc/89/03/18/375890318.db2.gz NJNKHFHHQDQIDU-HNNXBMFYSA-N 1 1 274.408 3.299 20 30 CGEDMO C=CCCCCC[NH+]1CCC(c2nc(CC)n[nH]2)CC1 ZINC000193578817 375894773 /nfs/dbraw/zinc/89/47/73/375894773.db2.gz WHVXXVQPVOHEMC-UHFFFAOYSA-N 1 1 276.428 3.293 20 30 CGEDMO C=CCCCCC[NH+]1CCC(c2n[nH]c(CC)n2)CC1 ZINC000193578817 375894777 /nfs/dbraw/zinc/89/47/77/375894777.db2.gz WHVXXVQPVOHEMC-UHFFFAOYSA-N 1 1 276.428 3.293 20 30 CGEDMO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000528385853 375900315 /nfs/dbraw/zinc/90/03/15/375900315.db2.gz DRVZVYJGZJJNBU-BRWVUGGUSA-N 1 1 298.430 3.228 20 30 CGEDMO CC#CC[N@@H+](CCC)CC(=O)Nc1ccc(Cl)cc1 ZINC000533392795 375955955 /nfs/dbraw/zinc/95/59/55/375955955.db2.gz DUWRPPGSPYPGBX-UHFFFAOYSA-N 1 1 278.783 3.014 20 30 CGEDMO CC#CC[N@H+](CCC)CC(=O)Nc1ccc(Cl)cc1 ZINC000533392795 375955964 /nfs/dbraw/zinc/95/59/64/375955964.db2.gz DUWRPPGSPYPGBX-UHFFFAOYSA-N 1 1 278.783 3.014 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000535377319 376036782 /nfs/dbraw/zinc/03/67/82/376036782.db2.gz DSCVPKRPIVFGQW-AWEZNQCLSA-N 1 1 251.757 3.369 20 30 CGEDMO C[N@@H+](CCCC1(C#N)CCOCC1)CC1CCCC1 ZINC000337125720 376087729 /nfs/dbraw/zinc/08/77/29/376087729.db2.gz FGODMABLCIPWHS-UHFFFAOYSA-N 1 1 264.413 3.209 20 30 CGEDMO C=CCN1CC[C@H]([N@H+](C)[C@H](C)c2cccc(Cl)c2)C1=O ZINC000337125698 376087911 /nfs/dbraw/zinc/08/79/11/376087911.db2.gz FFNZYOXPBIRCNM-DOMZBBRYSA-N 1 1 292.810 3.120 20 30 CGEDMO C=CCN1CC[C@H]([N@H+](C)[C@H](C)c2cc3ccccc3o2)C1=O ZINC000337136411 376092408 /nfs/dbraw/zinc/09/24/08/376092408.db2.gz ONEZXZDEYQAKPU-HIFRSBDPSA-N 1 1 298.386 3.213 20 30 CGEDMO C[C@H]1C[N@H+](CCCC2(C#N)CCOCC2)CC[C@@H]1C ZINC000337172542 376113437 /nfs/dbraw/zinc/11/34/37/376113437.db2.gz FLYSCVWTTTUCCG-GJZGRUSLSA-N 1 1 264.413 3.065 20 30 CGEDMO C=C(C)C[NH+]1CCC(N[C@@H](C)c2cccc(O)c2)CC1 ZINC000194886302 376055324 /nfs/dbraw/zinc/05/53/24/376055324.db2.gz QLVLQAQYLUFOKT-AWEZNQCLSA-N 1 1 274.408 3.083 20 30 CGEDMO N#Cc1ccc(NC(=O)C[N@H+]2CCCC23CCCCC3)cc1 ZINC000536178220 376083027 /nfs/dbraw/zinc/08/30/27/376083027.db2.gz AEEGNXGRJCOBDH-UHFFFAOYSA-N 1 1 297.402 3.295 20 30 CGEDMO COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1ccc(C#N)o1 ZINC000337871596 376244182 /nfs/dbraw/zinc/24/41/82/376244182.db2.gz RMDAUYKDPBNGQE-HNNXBMFYSA-N 1 1 286.306 3.076 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000539389578 376306597 /nfs/dbraw/zinc/30/65/97/376306597.db2.gz MWDOCHUIXUJNRX-LSDHHAIUSA-N 1 1 293.455 3.047 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C[C@H]1CCCC(F)(F)C1)C1CC1 ZINC000338286596 376315092 /nfs/dbraw/zinc/31/50/92/376315092.db2.gz NJSHKNHBKDDYQS-NEPJUHHUSA-N 1 1 256.340 3.436 20 30 CGEDMO C=CC[N@@H+](CC(=O)N[C@H](C)c1ccc(CC)cc1)C1CC1 ZINC000540055748 376353981 /nfs/dbraw/zinc/35/39/81/376353981.db2.gz QDEVZVLWZIBERT-CQSZACIVSA-N 1 1 286.419 3.077 20 30 CGEDMO C=CC[N@H+](CC(=O)N[C@H](C)c1ccc(CC)cc1)C1CC1 ZINC000540055748 376353989 /nfs/dbraw/zinc/35/39/89/376353989.db2.gz QDEVZVLWZIBERT-CQSZACIVSA-N 1 1 286.419 3.077 20 30 CGEDMO CC[N@H+]1C[C@H](C)N(c2ccc3cc(C#N)ccc3n2)C[C@@H]1C ZINC000538978750 376283539 /nfs/dbraw/zinc/28/35/39/376283539.db2.gz JDKGBFGFWQWKAJ-KBPBESRZSA-N 1 1 294.402 3.025 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCSC(C)(C)CC1 ZINC000228088687 376428503 /nfs/dbraw/zinc/42/85/03/376428503.db2.gz SZCQLBHQCGZLLG-UHFFFAOYSA-N 1 1 290.432 3.284 20 30 CGEDMO C=C(CC)C[N@@H+](Cc1ccccc1)[C@@H](CO)C(C)C ZINC000540202130 376365331 /nfs/dbraw/zinc/36/53/31/376365331.db2.gz LIUHBKSEDXMAPS-KRWDZBQOSA-N 1 1 261.409 3.472 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000540573821 376383100 /nfs/dbraw/zinc/38/31/00/376383100.db2.gz VJXFFJVEXYBPCO-HNNXBMFYSA-N 1 1 295.471 3.295 20 30 CGEDMO CC1(C)CC[N@@H+](Cc2cccc(C#N)c2)CCS1 ZINC000228087793 376426589 /nfs/dbraw/zinc/42/65/89/376426589.db2.gz LJLXDCUXOOXLNK-UHFFFAOYSA-N 1 1 260.406 3.276 20 30 CGEDMO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000541645482 376470792 /nfs/dbraw/zinc/47/07/92/376470792.db2.gz HQLGYRLDSHKTAI-CYBMUJFWSA-N 1 1 298.390 3.195 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CC[C@H](c2ccc(C)cc2)C1 ZINC000542318298 376533381 /nfs/dbraw/zinc/53/33/81/376533381.db2.gz WRUXWPGBFOJMCB-DLBZAZTESA-N 1 1 259.393 3.111 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(C)cc1-c1ccnn1C ZINC000338950661 376596570 /nfs/dbraw/zinc/59/65/70/376596570.db2.gz CSQYWIVJLXIBBX-UHFFFAOYSA-N 1 1 269.392 3.403 20 30 CGEDMO N#CCCOCC[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000338915221 376573295 /nfs/dbraw/zinc/57/32/95/376573295.db2.gz PBBBXVDFEYGHMP-HNNXBMFYSA-N 1 1 278.783 3.407 20 30 CGEDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000234050062 376609852 /nfs/dbraw/zinc/60/98/52/376609852.db2.gz CWTUJRLJZOMLCY-WFASDCNBSA-N 1 1 258.365 3.330 20 30 CGEDMO C[C@@H](CNc1cccc(F)c1C#N)[N@H+]1CCCC[C@H]1C ZINC000339003900 376624647 /nfs/dbraw/zinc/62/46/47/376624647.db2.gz SKRLQUJCPKVFSW-OLZOCXBDSA-N 1 1 275.371 3.372 20 30 CGEDMO COc1cc(C[N@H+]2C[C@@H](C)CC[C@@H]2C)ccc1C#N ZINC000235003389 376629717 /nfs/dbraw/zinc/62/97/17/376629717.db2.gz CCATXZQKULHXFW-STQMWFEESA-N 1 1 258.365 3.187 20 30 CGEDMO Cc1nc(C[NH+]2CCC(CC#N)CC2)nc2ccccc12 ZINC000543806267 376681033 /nfs/dbraw/zinc/68/10/33/376681033.db2.gz AQTFBGCUECCHQY-UHFFFAOYSA-N 1 1 280.375 3.064 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000544442718 376737774 /nfs/dbraw/zinc/73/77/74/376737774.db2.gz UMYPGOKICXBMRY-XOKHGSTOSA-N 1 1 286.419 3.348 20 30 CGEDMO C=CCOCC[N@H+](C)C[C@H](C)Cc1ccc(OC)cc1 ZINC000555418621 376855850 /nfs/dbraw/zinc/85/58/50/376855850.db2.gz VKEGVCVJWHJBHH-OAHLLOKOSA-N 1 1 277.408 3.008 20 30 CGEDMO CC[C@@H](C)C[N@@H+](CC)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000245764806 376903360 /nfs/dbraw/zinc/90/33/60/376903360.db2.gz JDLQGYHNDLKJGP-PBHICJAKSA-N 1 1 299.418 3.032 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)o2)[C@H]1c1ccccc1 ZINC000245708429 376886918 /nfs/dbraw/zinc/88/69/18/376886918.db2.gz FKOLGHPQZWLQMM-MLGOLLRUSA-N 1 1 252.317 3.344 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)[C@H]1c1ccccc1 ZINC000245708429 376886923 /nfs/dbraw/zinc/88/69/23/376886923.db2.gz FKOLGHPQZWLQMM-MLGOLLRUSA-N 1 1 252.317 3.344 20 30 CGEDMO CC[C@@H](C)[N@H+](C)CCN[C@H](CC)c1ccc(C#N)cc1 ZINC000559984455 377112480 /nfs/dbraw/zinc/11/24/80/377112480.db2.gz IWNXWMKMVPXTML-RHSMWYFYSA-N 1 1 273.424 3.329 20 30 CGEDMO CC[C@@H](C)[N@@H+](C)CCN[C@H](CC)c1ccc(C#N)cc1 ZINC000559984455 377112484 /nfs/dbraw/zinc/11/24/84/377112484.db2.gz IWNXWMKMVPXTML-RHSMWYFYSA-N 1 1 273.424 3.329 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000246776014 377087941 /nfs/dbraw/zinc/08/79/41/377087941.db2.gz OIIWQCVXVOQIJR-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000247315880 377192501 /nfs/dbraw/zinc/19/25/01/377192501.db2.gz HSLPHBWXSOCJTM-BBRMVZONSA-N 1 1 292.448 3.213 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](O)Cc1cccc(Cl)c1 ZINC000561864180 377249539 /nfs/dbraw/zinc/24/95/39/377249539.db2.gz BTQBFBOGKVYTDW-OAHLLOKOSA-N 1 1 267.800 3.141 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248626273 377369533 /nfs/dbraw/zinc/36/95/33/377369533.db2.gz OCLDIUQIPGUJTA-YQQAZPJKSA-N 1 1 290.451 3.064 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000563073523 377398575 /nfs/dbraw/zinc/39/85/75/377398575.db2.gz VZHVLWSBIIUIDZ-OAHLLOKOSA-N 1 1 257.381 3.201 20 30 CGEDMO CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000248895990 377423100 /nfs/dbraw/zinc/42/31/00/377423100.db2.gz JZFBAMIJBODRPO-ZIAGYGMSSA-N 1 1 285.391 3.007 20 30 CGEDMO CCCC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000563217153 377423324 /nfs/dbraw/zinc/42/33/24/377423324.db2.gz MCGZQQSJLHTDTA-GFCCVEGCSA-N 1 1 275.352 3.477 20 30 CGEDMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000249121311 377467716 /nfs/dbraw/zinc/46/77/16/377467716.db2.gz ZIJMGORSVMUBOZ-MIFYACCESA-N 1 1 286.419 3.221 20 30 CGEDMO CCC[N@@H+](C)[C@@H](CNCCC#N)c1ccc(Cl)cc1 ZINC000567707558 377510188 /nfs/dbraw/zinc/51/01/88/377510188.db2.gz YHGOCPUWZVILRP-HNNXBMFYSA-N 1 1 279.815 3.226 20 30 CGEDMO C=CC[N@@H+](CC1CCCCC1)[C@@H](C)c1nccc(N)n1 ZINC000568169413 377513447 /nfs/dbraw/zinc/51/34/47/377513447.db2.gz JDZYKKUHDGKKPT-ZDUSSCGKSA-N 1 1 274.412 3.018 20 30 CGEDMO C=CC[N@@H+](C/C=C/c1ccc(F)c(F)c1)CCOC ZINC000568243046 377515197 /nfs/dbraw/zinc/51/51/97/377515197.db2.gz HMENBHPGBFTTSN-SNAWJCMRSA-N 1 1 267.319 3.112 20 30 CGEDMO N#Cc1ccc(C[N@H+](CCO)[C@@H]2CCc3ccccc32)cc1 ZINC000265077839 190156289 /nfs/dbraw/zinc/15/62/89/190156289.db2.gz YZTOZXYWJANZOZ-LJQANCHMSA-N 1 1 292.382 3.040 20 30 CGEDMO CCCC[C@@H](C)[N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459499829 249151648 /nfs/dbraw/zinc/15/16/48/249151648.db2.gz MEZIIZWKUZSMCY-GFCCVEGCSA-N 1 1 275.352 3.477 20 30 CGEDMO CCCC[C@@H](C)[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459499829 249151651 /nfs/dbraw/zinc/15/16/51/249151651.db2.gz MEZIIZWKUZSMCY-GFCCVEGCSA-N 1 1 275.352 3.477 20 30 CGEDMO C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)[C@H]1C ZINC000250422786 377559820 /nfs/dbraw/zinc/55/98/20/377559820.db2.gz DOGZFGJPADUHGM-KBPBESRZSA-N 1 1 285.391 3.007 20 30 CGEDMO Cc1cc(C[N@@H+]2CC[C@@H](OCC(C)C)C2)ccc1C#N ZINC000488228633 249172727 /nfs/dbraw/zinc/17/27/27/249172727.db2.gz GCRPZPRZFUFWAQ-QGZVFWFLSA-N 1 1 272.392 3.114 20 30 CGEDMO C[N@@H+](CC[C@H]1CCCO1)Cc1ccc(Cl)cc1C#N ZINC000342611370 377690098 /nfs/dbraw/zinc/69/00/98/377690098.db2.gz XIAXSJPZMOJDJL-OAHLLOKOSA-N 1 1 278.783 3.213 20 30 CGEDMO N#CCCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253099959 377676200 /nfs/dbraw/zinc/67/62/00/377676200.db2.gz VUYQTIOCDNXZPJ-ARFHVFGLSA-N 1 1 264.413 3.086 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253198142 377680070 /nfs/dbraw/zinc/68/00/70/377680070.db2.gz AELNSGCBGJBYLQ-OAGGEKHMSA-N 1 1 251.414 3.358 20 30 CGEDMO Cn1cnc2cc(C[N@@H+](C)Cc3ccc(C#N)cc3)ccc21 ZINC000342683122 377733674 /nfs/dbraw/zinc/73/36/74/377733674.db2.gz QOSNILJITSPRRN-UHFFFAOYSA-N 1 1 290.370 3.077 20 30 CGEDMO COCC[C@H]1CCCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000342698521 377740738 /nfs/dbraw/zinc/74/07/38/377740738.db2.gz GHJJRXXFYIFGLL-MRXNPFEDSA-N 1 1 272.392 3.197 20 30 CGEDMO CC[N@H+](C/C=C\c1ccccc1OC)C[C@H](C)C#N ZINC000255659089 377773952 /nfs/dbraw/zinc/77/39/52/377773952.db2.gz QVQYZXIMZZNBBP-IUCKJTJTSA-N 1 1 258.365 3.190 20 30 CGEDMO CC[N@@H+](C/C=C\c1ccccc1OC)C[C@H](C)C#N ZINC000255659089 377773957 /nfs/dbraw/zinc/77/39/57/377773957.db2.gz QVQYZXIMZZNBBP-IUCKJTJTSA-N 1 1 258.365 3.190 20 30 CGEDMO COCC[N@@H+](CCCCC#N)[C@@H](C)c1ccccc1 ZINC000263796215 377950872 /nfs/dbraw/zinc/95/08/72/377950872.db2.gz ITWAEZOISYYXPQ-HNNXBMFYSA-N 1 1 260.381 3.390 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1ccc(OC)c(OCCCC#N)c1 ZINC000265633763 378006294 /nfs/dbraw/zinc/00/62/94/378006294.db2.gz UAIPMYSUQKIQGV-UHFFFAOYSA-N 1 1 294.782 3.220 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](C)CC[C@H]2CCCO2)c1 ZINC000343459378 377985576 /nfs/dbraw/zinc/98/55/76/377985576.db2.gz DCFAQKCVMZZZLG-MRXNPFEDSA-N 1 1 275.392 3.252 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)C[C@H](O)c1ccc(F)cc1 ZINC000264745918 377993029 /nfs/dbraw/zinc/99/30/29/377993029.db2.gz TUNIRVQESCTKLK-HNNXBMFYSA-N 1 1 278.371 3.121 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@H](O)c1ccc(F)cc1 ZINC000264745918 377993033 /nfs/dbraw/zinc/99/30/33/377993033.db2.gz TUNIRVQESCTKLK-HNNXBMFYSA-N 1 1 278.371 3.121 20 30 CGEDMO N#Cc1ccc(C[N@H+](CCO)[C@H]2CCc3ccccc32)cc1 ZINC000265077837 377998044 /nfs/dbraw/zinc/99/80/44/377998044.db2.gz YZTOZXYWJANZOZ-IBGZPJMESA-N 1 1 292.382 3.040 20 30 CGEDMO Cn1c2ccccc2nc1CC[N@H+](CCC#N)CC(C)(C)C ZINC000265501423 378003919 /nfs/dbraw/zinc/00/39/19/378003919.db2.gz MZZRDTJAXKIQKB-UHFFFAOYSA-N 1 1 298.434 3.378 20 30 CGEDMO Cn1c2ccccc2nc1CC[N@@H+](CCC#N)CC(C)(C)C ZINC000265501423 378003923 /nfs/dbraw/zinc/00/39/23/378003923.db2.gz MZZRDTJAXKIQKB-UHFFFAOYSA-N 1 1 298.434 3.378 20 30 CGEDMO C=C(C)CN(Cc1ccc(CO)o1)c1cc[nH+]cc1Cl ZINC000343590872 378030641 /nfs/dbraw/zinc/03/06/41/378030641.db2.gz MZPNSMWDLFMLJD-UHFFFAOYSA-N 1 1 292.766 3.403 20 30 CGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](CC)CCC ZINC000343642368 378049713 /nfs/dbraw/zinc/04/97/13/378049713.db2.gz FCTNYRWHAFDXGJ-AWEZNQCLSA-N 1 1 294.464 3.383 20 30 CGEDMO C=CCC(CC=C)C(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC000343668824 378059585 /nfs/dbraw/zinc/05/95/85/378059585.db2.gz JERNDCZLBPCFIN-INIZCTEOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@@H]1CCCc2nc(C)sc21 ZINC000268564475 378075173 /nfs/dbraw/zinc/07/51/73/378075173.db2.gz PUUAXFFPHWKLPV-GXTWGEPZSA-N 1 1 280.437 3.088 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)[C@H](C)c1sc(C)nc1C ZINC000268580659 378076482 /nfs/dbraw/zinc/07/64/82/378076482.db2.gz SWRSXKWQXNDAJF-DGCLKSJQSA-N 1 1 268.426 3.080 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000266538248 378023660 /nfs/dbraw/zinc/02/36/60/378023660.db2.gz PBHUZZUYFYALJD-WBVHZDCISA-N 1 1 270.376 3.353 20 30 CGEDMO C[C@@H](C[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1)c1ccccc1 ZINC000268716763 378095633 /nfs/dbraw/zinc/09/56/33/378095633.db2.gz UZQDITVLTOTUSU-KXBFYZLASA-N 1 1 294.398 3.327 20 30 CGEDMO C=CCC1(C(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)CCC1 ZINC000344776322 378178938 /nfs/dbraw/zinc/17/89/38/378178938.db2.gz PLTNJBVZHOCHKC-OAHLLOKOSA-N 1 1 290.451 3.066 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cn2)[C@H]2CCCC[C@@H]12 ZINC000583880182 378355741 /nfs/dbraw/zinc/35/57/41/378355741.db2.gz PVXMXBOZOLOFRD-COXVUDFISA-N 1 1 269.392 3.354 20 30 CGEDMO CCN(CC)CC[N@H+](CCC(C)(C)C#N)CC(C)C ZINC000345746559 378361450 /nfs/dbraw/zinc/36/14/50/378361450.db2.gz VUVTYYMGVYBXBG-UHFFFAOYSA-N 1 1 267.461 3.226 20 30 CGEDMO CCN(CC)CC[N@@H+](CCC(C)(C)C#N)CC(C)C ZINC000345746559 378361457 /nfs/dbraw/zinc/36/14/57/378361457.db2.gz VUVTYYMGVYBXBG-UHFFFAOYSA-N 1 1 267.461 3.226 20 30 CGEDMO C[C@@H](C#N)C[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC000584391246 378380638 /nfs/dbraw/zinc/38/06/38/378380638.db2.gz GTUCLLTVCSCNDO-JTQLQIEISA-N 1 1 275.352 3.198 20 30 CGEDMO C[C@H]([NH2+]Cc1cn2ccccc2n1)c1ccc(C#N)c(F)c1 ZINC000346067982 378455323 /nfs/dbraw/zinc/45/53/23/378455323.db2.gz LNXXSFANKUNJGE-LBPRGKRZSA-N 1 1 294.333 3.196 20 30 CGEDMO C#CCCC[N@H+](Cc1cccc(OC)c1)C[C@H]1CCCO1 ZINC000271037342 378436019 /nfs/dbraw/zinc/43/60/19/378436019.db2.gz MBWIYPLTOCCWBR-GOSISDBHSA-N 1 1 287.403 3.090 20 30 CGEDMO C#CCCC[N@H+](Cc1cccc(OC)c1)C[C@@H]1CCCO1 ZINC000271037343 378436250 /nfs/dbraw/zinc/43/62/50/378436250.db2.gz MBWIYPLTOCCWBR-SFHVURJKSA-N 1 1 287.403 3.090 20 30 CGEDMO CC(=O)c1ccc(C#N)c(NC[C@@H](c2ccco2)[NH+](C)C)c1 ZINC000272524083 378657901 /nfs/dbraw/zinc/65/79/01/378657901.db2.gz ODKKXZSESRTUEA-INIZCTEOSA-N 1 1 297.358 3.069 20 30 CGEDMO C=CCOc1ccc(CN(C)CC[C@H]([NH3+])C(C)C)cc1 ZINC000346682645 378674214 /nfs/dbraw/zinc/67/42/14/378674214.db2.gz OHYXBPPQJGNMRP-KRWDZBQOSA-N 1 1 276.424 3.057 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](c1nnc[nH]1)C1CCCCC1 ZINC000638098167 378698792 /nfs/dbraw/zinc/69/87/92/378698792.db2.gz KAWMYLPLQFGYFP-AWEZNQCLSA-N 1 1 262.401 3.324 20 30 CGEDMO CC[C@H](CC#N)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000273875454 378760251 /nfs/dbraw/zinc/76/02/51/378760251.db2.gz PMEAMMZAEMWWDK-KBAYOESNSA-N 1 1 285.435 3.321 20 30 CGEDMO C=CCOCCC[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000348031681 378760190 /nfs/dbraw/zinc/76/01/90/378760190.db2.gz KEEDYLTWHGHXEE-ZWKOTPCHSA-N 1 1 284.403 3.351 20 30 CGEDMO C=CCCCC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000278472615 194000787 /nfs/dbraw/zinc/00/07/87/194000787.db2.gz ZMUXRYKXTWQWKW-UHFFFAOYSA-N 1 1 288.391 3.116 20 30 CGEDMO C=CCOCCC[N@@H+]1Cc2ccccc2C[C@@H]1CC ZINC000348033727 378759946 /nfs/dbraw/zinc/75/99/46/378759946.db2.gz MIFZTJFYYRTVED-KRWDZBQOSA-N 1 1 259.393 3.416 20 30 CGEDMO Cn1c[nH+]cc1CCCSc1cccc(F)c1C#N ZINC000566498013 322127125 /nfs/dbraw/zinc/12/71/25/322127125.db2.gz RVKACMHPSKJXNN-UHFFFAOYSA-N 1 1 275.352 3.156 20 30 CGEDMO C[C@@H]([NH2+][C@@H](CCO)c1ccco1)c1ccc(C#N)c(F)c1 ZINC000274510721 378844094 /nfs/dbraw/zinc/84/40/94/378844094.db2.gz WQMHOTDLVGQMPF-ABAIWWIYSA-N 1 1 288.322 3.065 20 30 CGEDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CCOc1ccccc1C#N ZINC000348246924 378861813 /nfs/dbraw/zinc/86/18/13/378861813.db2.gz NAIYLCVVKJYUTN-DGCLKSJQSA-N 1 1 298.308 3.210 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000348249528 378864123 /nfs/dbraw/zinc/86/41/23/378864123.db2.gz XIMVRZCPEFFETI-MFKMUULPSA-N 1 1 298.308 3.340 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000348252932 378866507 /nfs/dbraw/zinc/86/65/07/378866507.db2.gz FTFYMPLXPIMESY-MVZIDQBPSA-N 1 1 250.292 3.260 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000274765673 378890154 /nfs/dbraw/zinc/89/01/54/378890154.db2.gz GBZWDANPQBEAFT-FZKQIMNGSA-N 1 1 265.422 3.383 20 30 CGEDMO C=C(C)[C@H]([NH2+]Cc1cnn(C)c1C)c1ccc(F)c(F)c1 ZINC000274759622 378890809 /nfs/dbraw/zinc/89/08/09/378890809.db2.gz GOYVHRUJIREROT-INIZCTEOSA-N 1 1 291.345 3.414 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000274790016 378895228 /nfs/dbraw/zinc/89/52/28/378895228.db2.gz NRFXUPFIJMWHLL-TZMCWYRMSA-N 1 1 251.395 3.476 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000274977752 378924212 /nfs/dbraw/zinc/92/42/12/378924212.db2.gz BBFRFKOWZQIPCI-BBRMVZONSA-N 1 1 280.375 3.222 20 30 CGEDMO C=CC[C@H](C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1 ZINC000275058764 378932174 /nfs/dbraw/zinc/93/21/74/378932174.db2.gz GZQXDSKUCSRLKM-RCCFBDPRSA-N 1 1 298.430 3.089 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000346972382 218074478 /nfs/dbraw/zinc/07/44/78/218074478.db2.gz HRQAKRVJOVNKGE-KRWDZBQOSA-N 1 1 293.370 3.299 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000346972382 218074481 /nfs/dbraw/zinc/07/44/81/218074481.db2.gz HRQAKRVJOVNKGE-KRWDZBQOSA-N 1 1 293.370 3.299 20 30 CGEDMO C=C(C)C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000274879997 378913162 /nfs/dbraw/zinc/91/31/62/378913162.db2.gz ZNMLZBMUCSYLGL-DOTOQJQBSA-N 1 1 258.409 3.063 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)[C@@H](c1nccn1C)C1CC1 ZINC000638917965 378952238 /nfs/dbraw/zinc/95/22/38/378952238.db2.gz KWLBNNFCCZRIRA-MRXNPFEDSA-N 1 1 285.391 3.195 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)[C@@H]2CCC[C@@H]2O)cc1Cl ZINC000348545310 378985932 /nfs/dbraw/zinc/98/59/32/378985932.db2.gz KNNWETIQYDCSEI-CABCVRRESA-N 1 1 295.810 3.250 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@H]2c2ccsc2)cc1C#N ZINC000276759611 378992076 /nfs/dbraw/zinc/99/20/76/378992076.db2.gz MPZDCMCXWYXPGR-HNNXBMFYSA-N 1 1 271.389 3.295 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cccnc1C ZINC000348631590 379001731 /nfs/dbraw/zinc/00/17/31/379001731.db2.gz DWYZUVYZENJPJF-UHFFFAOYSA-N 1 1 286.375 3.054 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cccnc1C ZINC000348631590 379001737 /nfs/dbraw/zinc/00/17/37/379001737.db2.gz DWYZUVYZENJPJF-UHFFFAOYSA-N 1 1 286.375 3.054 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)c1 ZINC000370722560 379059864 /nfs/dbraw/zinc/05/98/64/379059864.db2.gz TVUDORZZSOYNSE-SFHVURJKSA-N 1 1 277.371 3.018 20 30 CGEDMO CC[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000347374686 218211189 /nfs/dbraw/zinc/21/11/89/218211189.db2.gz XHGKUKXEIUFTSE-IBGZPJMESA-N 1 1 294.398 3.331 20 30 CGEDMO C[C@H]1CC[N@@H+](CCCSCC#N)CC12CCC2 ZINC000371436680 379162722 /nfs/dbraw/zinc/16/27/22/379162722.db2.gz AXUOOSVRXCKVRI-ZDUSSCGKSA-N 1 1 252.427 3.145 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000639348227 379304031 /nfs/dbraw/zinc/30/40/31/379304031.db2.gz PBWBPYJLTRDVTP-IAGOWNOFSA-N 1 1 270.420 3.411 20 30 CGEDMO COc1ccc2c(c1)CC[N@H+](CCC(C)(C)C#N)CC2 ZINC000374325086 379422463 /nfs/dbraw/zinc/42/24/63/379422463.db2.gz CQLJOXLDIMNICJ-UHFFFAOYSA-N 1 1 272.392 3.036 20 30 CGEDMO N#CCC1(C[N@@H+]2CCC[C@@H]2CC(=O)c2cccs2)CC1 ZINC000639538283 379463255 /nfs/dbraw/zinc/46/32/55/379463255.db2.gz KRONVQWPZYPFJA-CYBMUJFWSA-N 1 1 288.416 3.479 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)c2cccc(F)c2)n1 ZINC000279648637 379480252 /nfs/dbraw/zinc/48/02/52/379480252.db2.gz BAWMMCIZJPBJBK-AWEZNQCLSA-N 1 1 285.366 3.239 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)[C@@H](C)c2cccc(F)c2)n1 ZINC000279648637 379480259 /nfs/dbraw/zinc/48/02/59/379480259.db2.gz BAWMMCIZJPBJBK-AWEZNQCLSA-N 1 1 285.366 3.239 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1oc(-c2ccccc2)nc1C ZINC000639608704 379505764 /nfs/dbraw/zinc/50/57/64/379505764.db2.gz MNGHVYQSIRSDPT-UHFFFAOYSA-N 1 1 286.375 3.284 20 30 CGEDMO N#CCCCC[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000375837049 379510654 /nfs/dbraw/zinc/51/06/54/379510654.db2.gz FNCQIWCGKXGPMC-UHFFFAOYSA-N 1 1 275.371 3.032 20 30 CGEDMO CCn1nc(C)c(C[N@H+](C)CC#Cc2ccc(F)cc2)c1C ZINC000639922097 379645787 /nfs/dbraw/zinc/64/57/87/379645787.db2.gz BXCZXWOQZBENHS-UHFFFAOYSA-N 1 1 299.393 3.142 20 30 CGEDMO CCn1nc(C)c(C[N@@H+](C)CC#Cc2ccc(F)cc2)c1C ZINC000639922097 379645791 /nfs/dbraw/zinc/64/57/91/379645791.db2.gz BXCZXWOQZBENHS-UHFFFAOYSA-N 1 1 299.393 3.142 20 30 CGEDMO C[C@H]1C[N@@H+](CCCC2(C#N)CCOCC2)CCC1(F)F ZINC000352018306 379750949 /nfs/dbraw/zinc/75/09/49/379750949.db2.gz PKMVXIUWYUWFNV-ZDUSSCGKSA-N 1 1 286.366 3.064 20 30 CGEDMO C=C(C)CC[N@@H+](CCO)Cc1cccc(Br)c1 ZINC000352403385 379797968 /nfs/dbraw/zinc/79/79/68/379797968.db2.gz VFUIBVYRIVGHAI-UHFFFAOYSA-N 1 1 298.224 3.210 20 30 CGEDMO N#CC1(C[NH2+]Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000381597106 379869796 /nfs/dbraw/zinc/86/97/96/379869796.db2.gz MCNAKMVSQMDEEL-UHFFFAOYSA-N 1 1 255.148 3.387 20 30 CGEDMO C[C@@H]1Cc2[nH+]cn(Cc3ccc(C#N)c(F)c3)c2C[C@H]1C ZINC000404179307 379979465 /nfs/dbraw/zinc/97/94/65/379979465.db2.gz ZKBFWAHDRCGWII-VXGBXAGGSA-N 1 1 283.350 3.313 20 30 CGEDMO N#CCc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc1 ZINC000399050253 379934956 /nfs/dbraw/zinc/93/49/56/379934956.db2.gz UYGTZZSESVPCLB-GUDVDZBRSA-N 1 1 298.430 3.268 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCc1cncs1 ZINC000411297346 380139511 /nfs/dbraw/zinc/13/95/11/380139511.db2.gz MDUHDVGBXQEISG-SJORKVTESA-N 1 1 297.427 3.457 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000411406117 380144604 /nfs/dbraw/zinc/14/46/04/380144604.db2.gz BKTHPXIERGBAJS-SWLSCSKDSA-N 1 1 278.783 3.485 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)[C@@H](C)C(=O)N[C@H](C)CC ZINC000411196119 380133434 /nfs/dbraw/zinc/13/34/34/380133434.db2.gz JDVDQSSQTRWJRU-CVEARBPZSA-N 1 1 288.435 3.020 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCCC3(CCOCC3)C2)ccc1F ZINC000268219694 190387377 /nfs/dbraw/zinc/38/73/77/190387377.db2.gz LVXXPUNWQBDRNF-UHFFFAOYSA-N 1 1 288.366 3.090 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000411546573 380151638 /nfs/dbraw/zinc/15/16/38/380151638.db2.gz TXCOMZNYLSTMKX-RYUDHWBXSA-N 1 1 264.319 3.446 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1c(C(C)C)nc2sc(C)nn21 ZINC000353178122 380156144 /nfs/dbraw/zinc/15/61/44/380156144.db2.gz ZZUOYRPRJYBBBI-UHFFFAOYSA-N 1 1 278.425 3.231 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1c(C(C)C)nc2sc(C)nn21 ZINC000353178122 380156149 /nfs/dbraw/zinc/15/61/49/380156149.db2.gz ZZUOYRPRJYBBBI-UHFFFAOYSA-N 1 1 278.425 3.231 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cccnc1 ZINC000353962946 380255705 /nfs/dbraw/zinc/25/57/05/380255705.db2.gz XATCJZNKMFSALZ-ROUUACIJSA-N 1 1 277.371 3.353 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cccnc1 ZINC000353962946 380255709 /nfs/dbraw/zinc/25/57/09/380255709.db2.gz XATCJZNKMFSALZ-ROUUACIJSA-N 1 1 277.371 3.353 20 30 CGEDMO CCC[N@@H+]1CCC[C@@H]1CN[C@@H](CC)c1ccc(C#N)cc1 ZINC000353986180 380265047 /nfs/dbraw/zinc/26/50/47/380265047.db2.gz HJCUDICQSUBYEE-MSOLQXFVSA-N 1 1 285.435 3.473 20 30 CGEDMO CCC[N@H+]1CCC[C@@H]1CN[C@@H](CC)c1ccc(C#N)cc1 ZINC000353986180 380265051 /nfs/dbraw/zinc/26/50/51/380265051.db2.gz HJCUDICQSUBYEE-MSOLQXFVSA-N 1 1 285.435 3.473 20 30 CGEDMO Cc1c[nH]nc1C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000353916659 380233933 /nfs/dbraw/zinc/23/39/33/380233933.db2.gz RCVUTMDCBTXMDM-HNNXBMFYSA-N 1 1 268.364 3.243 20 30 CGEDMO COc1cc(C[N@H+]2CC(C)(C)C[C@H]2C)ccc1C#N ZINC000414522231 380294853 /nfs/dbraw/zinc/29/48/53/380294853.db2.gz GHBFKEHSNBLDGT-GFCCVEGCSA-N 1 1 258.365 3.187 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)CC2(O)CCC2)cc1Cl ZINC000355369556 380664748 /nfs/dbraw/zinc/66/47/48/380664748.db2.gz RKWXHLXHFPYWCD-UHFFFAOYSA-N 1 1 295.810 3.252 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2cncn2CC)CCCC1(C)C ZINC000418040832 380696416 /nfs/dbraw/zinc/69/64/16/380696416.db2.gz WKQCBPADHOWQMG-OAHLLOKOSA-N 1 1 261.413 3.470 20 30 CGEDMO N#C[C@H]1CC[C@@H]([N@H+]2CCC[C@@H](Oc3ccccc3)C2)C1 ZINC000419315987 380801230 /nfs/dbraw/zinc/80/12/30/380801230.db2.gz PJQXOBFQGCZPJT-ZMSDIMECSA-N 1 1 270.376 3.222 20 30 CGEDMO C[C@H]1[C@@H](C)[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@H]1C ZINC000419375984 380820275 /nfs/dbraw/zinc/82/02/75/380820275.db2.gz SJCDUSHMEQVIKD-JHJVBQTASA-N 1 1 296.374 3.085 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+](C(C)C)[C@H](C)c2ccsc2)C1=O ZINC000421001018 380868181 /nfs/dbraw/zinc/86/81/81/380868181.db2.gz FEQWJOCEOQPMLY-HIFRSBDPSA-N 1 1 292.448 3.306 20 30 CGEDMO CC[C@H]1C[C@H](C[N@@H+](C)Cc2cccc(C#N)c2)CCO1 ZINC000356915042 380936331 /nfs/dbraw/zinc/93/63/31/380936331.db2.gz IUFPFBYNFOGHID-SJORKVTESA-N 1 1 272.392 3.195 20 30 CGEDMO CC[C@@H](C)[N@@H+](C)CCNc1c(Cl)cccc1C#N ZINC000357236036 381077624 /nfs/dbraw/zinc/07/76/24/381077624.db2.gz SEGMCQYMZQJUIM-LLVKDONJSA-N 1 1 265.788 3.354 20 30 CGEDMO C=CC[N@@H+](CC(=O)N(C)Cc1ccc(Cl)s1)C1CC1 ZINC000357532815 381198889 /nfs/dbraw/zinc/19/88/89/381198889.db2.gz WALLIPZHSKYEAR-UHFFFAOYSA-N 1 1 298.839 3.010 20 30 CGEDMO C=CC[N@H+](CC(=O)N(C)Cc1ccc(Cl)s1)C1CC1 ZINC000357532815 381198893 /nfs/dbraw/zinc/19/88/93/381198893.db2.gz WALLIPZHSKYEAR-UHFFFAOYSA-N 1 1 298.839 3.010 20 30 CGEDMO C=CCC[C@@H](CC)[NH2+]C1CCN(C2CCC2)CC1 ZINC000360161585 381463162 /nfs/dbraw/zinc/46/31/62/381463162.db2.gz IKCWXHSLIILMEH-CQSZACIVSA-N 1 1 250.430 3.338 20 30 CGEDMO C=CCOCCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000361388661 381726030 /nfs/dbraw/zinc/72/60/30/381726030.db2.gz GJQAGLLVMWAMRB-FJIDUMEYSA-N 1 1 295.467 3.231 20 30 CGEDMO C=CCOCCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000361388663 381726774 /nfs/dbraw/zinc/72/67/74/381726774.db2.gz GJQAGLLVMWAMRB-XDNAFOTISA-N 1 1 295.467 3.231 20 30 CGEDMO C[N@H+](CC1(C#N)CC1)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000361597485 381827977 /nfs/dbraw/zinc/82/79/77/381827977.db2.gz YWAIMQCUZJTNPG-WDEREUQCSA-N 1 1 260.303 3.343 20 30 CGEDMO C[N@@H+](CC1(C#N)CC1)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000361597485 381827982 /nfs/dbraw/zinc/82/79/82/381827982.db2.gz YWAIMQCUZJTNPG-WDEREUQCSA-N 1 1 260.303 3.343 20 30 CGEDMO C=CC[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000361775361 381867168 /nfs/dbraw/zinc/86/71/68/381867168.db2.gz FUSAFYBNVWUNQI-QZTJIDSGSA-N 1 1 298.430 3.041 20 30 CGEDMO Cc1cc(-n2ccnc2)ccc1C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000361859833 381873415 /nfs/dbraw/zinc/87/34/15/381873415.db2.gz IGKTURPPIUTFNM-CQSZACIVSA-N 1 1 294.402 3.305 20 30 CGEDMO Cc1cc(-n2ccnc2)ccc1C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000361859833 381873418 /nfs/dbraw/zinc/87/34/18/381873418.db2.gz IGKTURPPIUTFNM-CQSZACIVSA-N 1 1 294.402 3.305 20 30 CGEDMO COCC[N@@H+](Cc1cc(C#N)ccc1F)[C@@H]1CC[C@@H](C)C1 ZINC000362157121 381892206 /nfs/dbraw/zinc/89/22/06/381892206.db2.gz OUZHMJNTMJTOCF-CZUORRHYSA-N 1 1 290.382 3.334 20 30 CGEDMO COCC[N@@H+](Cc1cc(C#N)ccc1F)[C@H]1CC[C@H](C)C1 ZINC000362157119 381892594 /nfs/dbraw/zinc/89/25/94/381892594.db2.gz OUZHMJNTMJTOCF-BBRMVZONSA-N 1 1 290.382 3.334 20 30 CGEDMO CC(C)OCC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000367209830 382339343 /nfs/dbraw/zinc/33/93/43/382339343.db2.gz VYONRPLHCLAADH-UHFFFAOYSA-N 1 1 270.376 3.072 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@]2(C1)c1ccccc1NC2=O ZINC000369699040 382392375 /nfs/dbraw/zinc/39/23/75/382392375.db2.gz ZWAJCRRYKUEGMO-GOSISDBHSA-N 1 1 284.403 3.329 20 30 CGEDMO CC[N@@H+](C[C@@H]1CCCO1)[C@@H](C)c1cccc(C#N)c1 ZINC000275952603 285031185 /nfs/dbraw/zinc/03/11/85/285031185.db2.gz FPPNAASCXVEEAH-BBRMVZONSA-N 1 1 258.365 3.120 20 30 CGEDMO C#CCCCC(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2 ZINC000192182449 533025550 /nfs/dbraw/zinc/02/55/50/533025550.db2.gz LSDNTTYYOAVCHT-UHFFFAOYSA-N 1 1 284.403 3.400 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000335378539 208316385 /nfs/dbraw/zinc/31/63/85/208316385.db2.gz HAMTVGRCAWEHOR-YOEHRIQHSA-N 1 1 288.366 3.088 20 30 CGEDMO COc1ccc([C@@H]([NH2+]Cc2nc(C#N)cs2)C2CC2)cc1 ZINC000352835139 533132946 /nfs/dbraw/zinc/13/29/46/533132946.db2.gz NTYYWUBTYRSSNH-INIZCTEOSA-N 1 1 299.399 3.264 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000336704743 262381521 /nfs/dbraw/zinc/38/15/21/262381521.db2.gz NOLRRNRJLPHTOY-CHWSQXEVSA-N 1 1 252.427 3.286 20 30 CGEDMO Cc1cc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)ccc1C#N ZINC000411926528 533631163 /nfs/dbraw/zinc/63/11/63/533631163.db2.gz PVZBJIPHIWHERG-OALUTQOASA-N 1 1 292.382 3.175 20 30 CGEDMO CC1(C)C[NH+](Cc2ccc(C#N)s2)CC(C)(C)O1 ZINC000191195082 130200373 /nfs/dbraw/zinc/20/03/73/130200373.db2.gz NNGKNYIQOJWSHS-UHFFFAOYSA-N 1 1 264.394 3.009 20 30 CGEDMO Cn1cc(C[N@@H+](C)Cc2ccc(Cl)c(F)c2)cc1C#N ZINC000191425207 130234519 /nfs/dbraw/zinc/23/45/19/130234519.db2.gz QWPJZEDNXCOASD-UHFFFAOYSA-N 1 1 291.757 3.321 20 30 CGEDMO COc1ccc(C[N@@H+](CCC#N)CCC(C)C)cc1OC ZINC000093100892 392234066 /nfs/dbraw/zinc/23/40/66/392234066.db2.gz CZLGSIQBELZBEC-UHFFFAOYSA-N 1 1 290.407 3.466 20 30 CGEDMO N#CCC[N@@H+](C/C=C/c1ccc(F)cc1)CC1CC1 ZINC000093091477 392234996 /nfs/dbraw/zinc/23/49/96/392234996.db2.gz XPRAZVDJCLCXBC-HNQUOIGGSA-N 1 1 258.340 3.465 20 30 CGEDMO N#CCC[N@H+](C/C=C/c1ccc(F)cc1)CC1CC1 ZINC000093091477 392235000 /nfs/dbraw/zinc/23/50/00/392235000.db2.gz XPRAZVDJCLCXBC-HNQUOIGGSA-N 1 1 258.340 3.465 20 30 CGEDMO CCC[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CCCCO1 ZINC000071963783 392194719 /nfs/dbraw/zinc/19/47/19/392194719.db2.gz IQLVCYDWPFPXGK-KRWDZBQOSA-N 1 1 272.392 3.339 20 30 CGEDMO COc1ccc(C[N@H+](CCC#N)CCC(C)C)cc1OC ZINC000093100892 392234062 /nfs/dbraw/zinc/23/40/62/392234062.db2.gz CZLGSIQBELZBEC-UHFFFAOYSA-N 1 1 290.407 3.466 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)C2CCC(OC)CC2)cc1 ZINC000283974485 392309206 /nfs/dbraw/zinc/30/92/06/392309206.db2.gz IZHULPLEZYQKIS-UHFFFAOYSA-N 1 1 257.377 3.057 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C)c1 ZINC000282234606 392286306 /nfs/dbraw/zinc/28/63/06/392286306.db2.gz ISSVINZBRXKTQX-HOCLYGCPSA-N 1 1 275.392 3.251 20 30 CGEDMO COCC[N@H+](Cc1cc(C#N)cs1)C[C@@H]1CC=CCC1 ZINC000361674968 392292992 /nfs/dbraw/zinc/29/29/92/392292992.db2.gz IYCOLMKELGJUID-CQSZACIVSA-N 1 1 290.432 3.424 20 30 CGEDMO C=CCC[C@H](NC[C@H]1CC[N@H+](CC)C1)c1ccco1 ZINC000285663521 392328695 /nfs/dbraw/zinc/32/86/95/392328695.db2.gz MYTNDXXKUWGMSS-CABCVRRESA-N 1 1 262.397 3.218 20 30 CGEDMO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2ccc(C#N)c(F)c2)C1(C)C ZINC000361830016 392335416 /nfs/dbraw/zinc/33/54/16/392335416.db2.gz POGNKAVTMATEQR-RDJZCZTQSA-N 1 1 290.382 3.333 20 30 CGEDMO CCOC[C@H]1CCC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000246308590 131093129 /nfs/dbraw/zinc/09/31/29/131093129.db2.gz FYGOQUOYCMPRCM-ZBFHGGJFSA-N 1 1 272.392 3.368 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccnc1 ZINC000263775481 131328558 /nfs/dbraw/zinc/32/85/58/131328558.db2.gz NTKCVAOTKWZUOR-UHFFFAOYSA-N 1 1 265.360 3.365 20 30 CGEDMO C#Cc1ccc(C[NH2+][C@@H](COC)c2ccc(CC)o2)cc1 ZINC000290354405 392445147 /nfs/dbraw/zinc/44/51/47/392445147.db2.gz MDQXUOTTYKVVAF-KRWDZBQOSA-N 1 1 283.371 3.301 20 30 CGEDMO C=CCCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000121087930 392408205 /nfs/dbraw/zinc/40/82/05/392408205.db2.gz LVYFDZCLSKJRCJ-ZDUSSCGKSA-N 1 1 288.391 3.114 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000121087930 392408211 /nfs/dbraw/zinc/40/82/11/392408211.db2.gz LVYFDZCLSKJRCJ-ZDUSSCGKSA-N 1 1 288.391 3.114 20 30 CGEDMO CCCCCCCCCC[N@H+]1CCCN(C(N)=O)CC1 ZINC000153590664 392522766 /nfs/dbraw/zinc/52/27/66/392522766.db2.gz VZORGIZCUKYNNB-UHFFFAOYSA-N 1 1 283.460 3.214 20 30 CGEDMO C[C@H]1C[N@H+](Cc2cc(C#N)ccc2Br)[C@H]1C ZINC000293338681 392523422 /nfs/dbraw/zinc/52/34/22/392523422.db2.gz GXIOTFXRLMXZJK-UWVGGRQHSA-N 1 1 279.181 3.161 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)[C@H]1C ZINC000293338681 392523430 /nfs/dbraw/zinc/52/34/30/392523430.db2.gz GXIOTFXRLMXZJK-UWVGGRQHSA-N 1 1 279.181 3.161 20 30 CGEDMO CCCCCCCC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000155712298 392543672 /nfs/dbraw/zinc/54/36/72/392543672.db2.gz YOOULEBNSCQYBJ-HOTGVXAUSA-N 1 1 280.456 3.290 20 30 CGEDMO CC#CCC[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000155320928 392541054 /nfs/dbraw/zinc/54/10/54/392541054.db2.gz OEFUOERGFBJMAV-KRWDZBQOSA-N 1 1 275.367 3.220 20 30 CGEDMO CC(C)[C@]1(CO)CCC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000292928972 392515203 /nfs/dbraw/zinc/51/52/03/392515203.db2.gz CIMQZIHGEURBPF-CRAIPNDOSA-N 1 1 286.419 3.350 20 30 CGEDMO CCCC[N@H+]1CCCC[C@@H]1CNc1ccc(C#N)cn1 ZINC000301062924 392584394 /nfs/dbraw/zinc/58/43/94/392584394.db2.gz AMBVGPUUEZSMJB-OAHLLOKOSA-N 1 1 272.396 3.020 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccccn1 ZINC000162616777 392598277 /nfs/dbraw/zinc/59/82/77/392598277.db2.gz DDOPMYRCXFHUII-LLVKDONJSA-N 1 1 271.751 3.457 20 30 CGEDMO C=CC[C@H](CC)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000374160743 392671609 /nfs/dbraw/zinc/67/16/09/392671609.db2.gz LFFBLJREUHMXQO-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C[C@H]1COCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000374349980 392676525 /nfs/dbraw/zinc/67/65/25/392676525.db2.gz AZEBUEZPEMHPNZ-CYBMUJFWSA-N 1 1 297.320 3.025 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000302752463 392619873 /nfs/dbraw/zinc/61/98/73/392619873.db2.gz YLVUSQZIVUYQBJ-AWEZNQCLSA-N 1 1 292.398 3.071 20 30 CGEDMO CC[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CC1)c1c(C)noc1C ZINC000330207123 392692491 /nfs/dbraw/zinc/69/24/91/392692491.db2.gz ADHRZNADYMHHOA-UONOGXRCSA-N 1 1 291.395 3.326 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1ccn(-c2c(F)cccc2F)n1 ZINC000181276011 392725291 /nfs/dbraw/zinc/72/52/91/392725291.db2.gz PLFATWLYCHSJEZ-UHFFFAOYSA-N 1 1 277.318 3.158 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccn(-c2c(F)cccc2F)n1 ZINC000181276011 392725300 /nfs/dbraw/zinc/72/53/00/392725300.db2.gz PLFATWLYCHSJEZ-UHFFFAOYSA-N 1 1 277.318 3.158 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000181317969 392729005 /nfs/dbraw/zinc/72/90/05/392729005.db2.gz IUXILATUHSELHO-QGZVFWFLSA-N 1 1 292.398 3.147 20 30 CGEDMO C=C(C)C[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000334635771 392744090 /nfs/dbraw/zinc/74/40/90/392744090.db2.gz FTGKVMYPCWIPLO-MRXNPFEDSA-N 1 1 257.377 3.416 20 30 CGEDMO Cc1ncsc1C[N@H+](C)CC(C)(C)CCC#N ZINC000179430142 392699803 /nfs/dbraw/zinc/69/98/03/392699803.db2.gz OZVQLSPQHIUYDL-UHFFFAOYSA-N 1 1 251.399 3.213 20 30 CGEDMO Cc1cc([C@H](C)[NH2+]C[C@H](C#N)CCC#N)c(C)s1 ZINC000179371836 392700760 /nfs/dbraw/zinc/70/07/60/392700760.db2.gz WNPWRPAJDBJOID-AAEUAGOBSA-N 1 1 261.394 3.459 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000185952611 392774936 /nfs/dbraw/zinc/77/49/36/392774936.db2.gz NTOODXMYYXNTDV-HYVNUMGLSA-N 1 1 286.419 3.150 20 30 CGEDMO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)CCCO1 ZINC000335181731 392781184 /nfs/dbraw/zinc/78/11/84/392781184.db2.gz NZSAPAPRNRWOGT-NSHDSACASA-N 1 1 298.308 3.188 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)CCCO1 ZINC000335181731 392781192 /nfs/dbraw/zinc/78/11/92/392781192.db2.gz NZSAPAPRNRWOGT-NSHDSACASA-N 1 1 298.308 3.188 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCC[C@H](c3ccccn3)C2)cc1 ZINC000647951320 392841540 /nfs/dbraw/zinc/84/15/40/392841540.db2.gz RRZGBOWUKZRTDG-KRWDZBQOSA-N 1 1 294.373 3.452 20 30 CGEDMO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CC1(C#N)CC1 ZINC000335659725 392805911 /nfs/dbraw/zinc/80/59/11/392805911.db2.gz XIRLSXPOTHUTFD-GXTWGEPZSA-N 1 1 258.340 3.307 20 30 CGEDMO C=C(CC)C[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000337426270 392885366 /nfs/dbraw/zinc/88/53/66/392885366.db2.gz DBKLBBZGLKEYTP-OAHLLOKOSA-N 1 1 274.408 3.104 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(-n2cccn2)cc1)C1CC1 ZINC000338338857 392908306 /nfs/dbraw/zinc/90/83/06/392908306.db2.gz BDXLTWZVYYWJQG-UHFFFAOYSA-N 1 1 253.349 3.023 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)CCCO[C@@H]1CCCCO1 ZINC000338310731 392908338 /nfs/dbraw/zinc/90/83/38/392908338.db2.gz BHJWEKCRPZBJCC-OAHLLOKOSA-N 1 1 282.428 3.181 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000336622981 392866013 /nfs/dbraw/zinc/86/60/13/392866013.db2.gz KOAJTKCBVZOZKF-UHFFFAOYSA-N 1 1 270.376 3.179 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000338589632 392922892 /nfs/dbraw/zinc/92/28/92/392922892.db2.gz UHZJLEFNNWWKPS-XJKSGUPXSA-N 1 1 281.346 3.023 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000338589632 392922897 /nfs/dbraw/zinc/92/28/97/392922897.db2.gz UHZJLEFNNWWKPS-XJKSGUPXSA-N 1 1 281.346 3.023 20 30 CGEDMO COc1cccc2c1CC[N@@H+](Cc1cc(C#N)cs1)CC2 ZINC000194571053 392930695 /nfs/dbraw/zinc/93/06/95/392930695.db2.gz RXNOATKPTBCEAN-UHFFFAOYSA-N 1 1 298.411 3.229 20 30 CGEDMO C[C@@H]1CCC[C@H]([N@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459299695 392939285 /nfs/dbraw/zinc/93/92/85/392939285.db2.gz LEOUCLKXQUKOCK-OCCSQVGLSA-N 1 1 287.363 3.477 20 30 CGEDMO C[C@@H]1CCC[C@H]([N@@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459299695 392939293 /nfs/dbraw/zinc/93/92/93/392939293.db2.gz LEOUCLKXQUKOCK-OCCSQVGLSA-N 1 1 287.363 3.477 20 30 CGEDMO CC(C)(C)[C@@H]1CCC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459321260 392939520 /nfs/dbraw/zinc/93/95/20/392939520.db2.gz BAGUDVMDVAHPMN-HNNXBMFYSA-N 1 1 287.363 3.477 20 30 CGEDMO C=CCOCC[NH2+]C(C)(C)c1nc(C(F)(F)F)cs1 ZINC000339087092 392947403 /nfs/dbraw/zinc/94/74/03/392947403.db2.gz XHRMKBVFZKRHPY-UHFFFAOYSA-N 1 1 294.342 3.189 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000527482112 392956741 /nfs/dbraw/zinc/95/67/41/392956741.db2.gz HQRMATSGCIJDFN-XQQFMLRXSA-N 1 1 260.406 3.445 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000411674836 392983712 /nfs/dbraw/zinc/98/37/12/392983712.db2.gz MVUDWIJSABWNPR-JKIFEVAISA-N 1 1 292.423 3.122 20 30 CGEDMO C[C@H](O)C[C@H]1CCCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411671092 392984123 /nfs/dbraw/zinc/98/41/23/392984123.db2.gz LGMJVFMBSQIKLZ-JKSUJKDBSA-N 1 1 278.440 3.476 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)[C@H](C)c1cccc(C#N)c1 ZINC000411653159 392984353 /nfs/dbraw/zinc/98/43/53/392984353.db2.gz YHHMIUPNFUTIGS-OAHLLOKOSA-N 1 1 271.408 3.059 20 30 CGEDMO C=CC[N@@H+](C)CCN(CC)[C@H](C)c1cccc(C#N)c1 ZINC000411653159 392984359 /nfs/dbraw/zinc/98/43/59/392984359.db2.gz YHHMIUPNFUTIGS-OAHLLOKOSA-N 1 1 271.408 3.059 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)[C@H](C)c1cccc(C#N)c1 ZINC000411653159 392984365 /nfs/dbraw/zinc/98/43/65/392984365.db2.gz YHHMIUPNFUTIGS-OAHLLOKOSA-N 1 1 271.408 3.059 20 30 CGEDMO C[C@H](CCC#N)[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000411743048 392986867 /nfs/dbraw/zinc/98/68/67/392986867.db2.gz FFMHCCNIWAQUHD-INWMFGNUSA-N 1 1 292.810 3.040 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411961098 392990641 /nfs/dbraw/zinc/99/06/41/392990641.db2.gz ZLWABERVMFRJBY-HOTGVXAUSA-N 1 1 272.392 3.124 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@H]2CC[C@H](C#N)C2)cc1Cl ZINC000412024033 392992331 /nfs/dbraw/zinc/99/23/31/392992331.db2.gz BCSNTBGUJTZDCA-AAEUAGOBSA-N 1 1 278.783 3.473 20 30 CGEDMO Cc1ccc(C[C@H]2CCC[N@H+]2CC2(C#N)CC2)cc1 ZINC000343314040 393023905 /nfs/dbraw/zinc/02/39/05/393023905.db2.gz MBGOSSNGACLVPO-MRXNPFEDSA-N 1 1 254.377 3.306 20 30 CGEDMO N#CC1(C[N@H+]2CCC[C@H](Cc3ccccc3)C2)CC1 ZINC000343314315 393025035 /nfs/dbraw/zinc/02/50/35/393025035.db2.gz MOJCNQXJYDJITO-MRXNPFEDSA-N 1 1 254.377 3.245 20 30 CGEDMO N#CC1(C[N@@H+](CCc2cccc(F)c2)C2CC2)CC1 ZINC000343318477 393026610 /nfs/dbraw/zinc/02/66/10/393026610.db2.gz YAUNPRBBZQCCBE-UHFFFAOYSA-N 1 1 258.340 3.136 20 30 CGEDMO N#CC1(C[N@H+](CCc2cccc(F)c2)C2CC2)CC1 ZINC000343318477 393026616 /nfs/dbraw/zinc/02/66/16/393026616.db2.gz YAUNPRBBZQCCBE-UHFFFAOYSA-N 1 1 258.340 3.136 20 30 CGEDMO CC(C)(C)[C@H]1CC[N@@H+](CCCC(C)(C)C#N)C[C@H]1O ZINC000347788896 393108509 /nfs/dbraw/zinc/10/85/09/393108509.db2.gz KETRQHRTOLTGOG-UONOGXRCSA-N 1 1 266.429 3.045 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000346209473 393079856 /nfs/dbraw/zinc/07/98/56/393079856.db2.gz UTJWCIRTSDUEMC-UHFFFAOYSA-N 1 1 261.394 3.332 20 30 CGEDMO Cc1ccc([C@@H]2CC[N@@H+](CC3(C#N)CC3)C2)c(C)c1 ZINC000348326902 393119691 /nfs/dbraw/zinc/11/96/91/393119691.db2.gz SMOBXPJFJAANOA-OAHLLOKOSA-N 1 1 254.377 3.397 20 30 CGEDMO CC(C)(C)[C@H]1CCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000353441142 393223316 /nfs/dbraw/zinc/22/33/16/393223316.db2.gz AGHKTRLNFGQGKE-OAHLLOKOSA-N 1 1 282.391 3.216 20 30 CGEDMO C=CCCC[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC000648853001 393274698 /nfs/dbraw/zinc/27/46/98/393274698.db2.gz JMVIDGPGLIULKA-ZIAGYGMSSA-N 1 1 277.412 3.258 20 30 CGEDMO COC[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356210449 393382064 /nfs/dbraw/zinc/38/20/64/393382064.db2.gz FGEWOCLHHQLLLK-LBPRGKRZSA-N 1 1 298.308 3.045 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000279763547 393336142 /nfs/dbraw/zinc/33/61/42/393336142.db2.gz MKVOWHYMFUINGH-CJNGLKHVSA-N 1 1 272.392 3.366 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000595844003 542771577 /nfs/dbraw/zinc/77/15/77/542771577.db2.gz OJAWJPAEBHGBSV-AWEZNQCLSA-N 1 1 250.292 3.360 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000595844003 542771581 /nfs/dbraw/zinc/77/15/81/542771581.db2.gz OJAWJPAEBHGBSV-AWEZNQCLSA-N 1 1 250.292 3.360 20 30 CGEDMO CC(C)C1(C)CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000356420858 393440032 /nfs/dbraw/zinc/44/00/32/393440032.db2.gz TXMGQQYGJVTELP-UHFFFAOYSA-N 1 1 263.410 3.273 20 30 CGEDMO CCCC[N@H+](CC#Cc1ccc(Cl)cc1)CCOC ZINC000427012068 393451814 /nfs/dbraw/zinc/45/18/14/393451814.db2.gz MIXKDJDBUNGKFU-UHFFFAOYSA-N 1 1 279.811 3.440 20 30 CGEDMO C=CC[C@H](C(=O)NCC[N@H+](C)CCCC)c1ccccc1 ZINC000426835146 393452809 /nfs/dbraw/zinc/45/28/09/393452809.db2.gz QDACDJWSZVGAQJ-KRWDZBQOSA-N 1 1 288.435 3.194 20 30 CGEDMO Cc1cc(C[N@H+](C)[C@@H](C)c2ccccn2)ccc1C#N ZINC000488148312 393464351 /nfs/dbraw/zinc/46/43/51/393464351.db2.gz JTMAHHCPERPTDO-AWEZNQCLSA-N 1 1 265.360 3.455 20 30 CGEDMO CCCC[C@H](C)[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000356510630 393467288 /nfs/dbraw/zinc/46/72/88/393467288.db2.gz WRVIWKQHZFGREI-ZDUSSCGKSA-N 1 1 270.380 3.216 20 30 CGEDMO C[C@H]1CC[C@H]([N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000429559666 393479214 /nfs/dbraw/zinc/47/92/14/393479214.db2.gz LVKYDNLGJNTUME-WFASDCNBSA-N 1 1 296.374 3.229 20 30 CGEDMO CC#CCC[N@H+]1CCc2cc(OCC)c(OCC)cc2C1 ZINC000360438207 393567548 /nfs/dbraw/zinc/56/75/48/393567548.db2.gz PZHAILNFWXOBRL-UHFFFAOYSA-N 1 1 287.403 3.256 20 30 CGEDMO COc1ccc(C[NH+]2CC(c3ccccc3F)C2)cc1C#N ZINC000361008619 393639021 /nfs/dbraw/zinc/63/90/21/393639021.db2.gz GLGPPSUKIYSHOQ-UHFFFAOYSA-N 1 1 296.345 3.305 20 30 CGEDMO CC[N@H+](Cc1cccc(OCCCC#N)c1)C[C@@H](C)OC ZINC000361010666 393640171 /nfs/dbraw/zinc/64/01/71/393640171.db2.gz QKTPVHOJTWBGNU-OAHLLOKOSA-N 1 1 290.407 3.226 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1Cc2ccccc2[C@H]1C ZINC000361057393 393659430 /nfs/dbraw/zinc/65/94/30/393659430.db2.gz MDTDTYZQOFHUKD-CABCVRRESA-N 1 1 286.419 3.376 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1Cc2ccccc2[C@H]1C ZINC000361057393 393659433 /nfs/dbraw/zinc/65/94/33/393659433.db2.gz MDTDTYZQOFHUKD-CABCVRRESA-N 1 1 286.419 3.376 20 30 CGEDMO CCCCCCC[N@H+]1CCCN(C(=O)c2ccoc2)CC1 ZINC000361171369 393691587 /nfs/dbraw/zinc/69/15/87/393691587.db2.gz UFUVSLYGTMFCOZ-UHFFFAOYSA-N 1 1 292.423 3.398 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CCOC1 ZINC000361237958 393709923 /nfs/dbraw/zinc/70/99/23/393709923.db2.gz RJYZOSYERYKTTH-ZDUSSCGKSA-N 1 1 298.308 3.188 20 30 CGEDMO Cc1cc(CNCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)ccc1C#N ZINC000443956888 393778486 /nfs/dbraw/zinc/77/84/86/393778486.db2.gz AKSPFTLETLTGPB-OAHLLOKOSA-N 1 1 299.462 3.467 20 30 CGEDMO Cc1cc(CNCC(C)(C)[N@H+]2CCC[C@@H](C)C2)ccc1C#N ZINC000443956888 393778488 /nfs/dbraw/zinc/77/84/88/393778488.db2.gz AKSPFTLETLTGPB-OAHLLOKOSA-N 1 1 299.462 3.467 20 30 CGEDMO Cc1cc(C[NH2+][C@@H](C)CN2CCCCCC2)ccc1C#N ZINC000444000098 393782364 /nfs/dbraw/zinc/78/23/64/393782364.db2.gz COYCGFPNMONAQG-INIZCTEOSA-N 1 1 285.435 3.221 20 30 CGEDMO CCCCOCC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502495284 393877722 /nfs/dbraw/zinc/87/77/22/393877722.db2.gz MHJWGDDELFQQAS-UHFFFAOYSA-N 1 1 284.403 3.464 20 30 CGEDMO COc1ccc(C)cc1[C@H](C)[NH2+]CC1(C#N)CCC1 ZINC000450662577 394032630 /nfs/dbraw/zinc/03/26/30/394032630.db2.gz QMYQHCGNPXOEJC-ZDUSSCGKSA-N 1 1 258.365 3.348 20 30 CGEDMO C=CC[N@@H+](Cc1c(C2CC2)cnn1C)Cc1ccccc1 ZINC000667518184 542883175 /nfs/dbraw/zinc/88/31/75/542883175.db2.gz RNHOLQJZPSNXJG-UHFFFAOYSA-N 1 1 281.403 3.486 20 30 CGEDMO C=CC[N@H+](Cc1c(C2CC2)cnn1C)Cc1ccccc1 ZINC000667518184 542883177 /nfs/dbraw/zinc/88/31/77/542883177.db2.gz RNHOLQJZPSNXJG-UHFFFAOYSA-N 1 1 281.403 3.486 20 30 CGEDMO C[C@@H]1C[C@H](C)[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000548753490 289020665 /nfs/dbraw/zinc/02/06/65/289020665.db2.gz BUEQKTZHXASILR-AOOOYVTPSA-N 1 1 266.291 3.142 20 30 CGEDMO C[C@@H]1C[C@H](C)[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000548753490 289020666 /nfs/dbraw/zinc/02/06/66/289020666.db2.gz BUEQKTZHXASILR-AOOOYVTPSA-N 1 1 266.291 3.142 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2cccnc2)C1 ZINC000668492774 543020975 /nfs/dbraw/zinc/02/09/75/543020975.db2.gz FTORDOBBAMVWTR-OAHLLOKOSA-N 1 1 296.418 3.270 20 30 CGEDMO C=CCC[C@H](NC[C@H](C)[N@H+](C)C1CC1)c1ccco1 ZINC000286271014 397671596 /nfs/dbraw/zinc/67/15/96/397671596.db2.gz VJDHIBZKMDZZSC-ZFWWWQNUSA-N 1 1 262.397 3.359 20 30 CGEDMO C=CCC[C@H](NC[C@H](C)[N@@H+](C)C1CC1)c1ccco1 ZINC000286271014 397671598 /nfs/dbraw/zinc/67/15/98/397671598.db2.gz VJDHIBZKMDZZSC-ZFWWWQNUSA-N 1 1 262.397 3.359 20 30 CGEDMO C=CCC[N@H+]1CCN(Cc2ccccc2)[C@H](CC)C1 ZINC000338566452 397683825 /nfs/dbraw/zinc/68/38/25/397683825.db2.gz ISIXOMSFCUAWFA-QGZVFWFLSA-N 1 1 258.409 3.159 20 30 CGEDMO C=CCCN1CC[N@H+](Cc2ccccc2)[C@H](CC)C1 ZINC000338566452 397683828 /nfs/dbraw/zinc/68/38/28/397683828.db2.gz ISIXOMSFCUAWFA-QGZVFWFLSA-N 1 1 258.409 3.159 20 30 CGEDMO C=CCCN1CC[N@@H+](Cc2ccccc2)[C@H](CC)C1 ZINC000338566452 397683831 /nfs/dbraw/zinc/68/38/31/397683831.db2.gz ISIXOMSFCUAWFA-QGZVFWFLSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@](C)(O)CC ZINC000352920985 397686558 /nfs/dbraw/zinc/68/65/58/397686558.db2.gz CNJBMABZKSNKEL-MRXNPFEDSA-N 1 1 279.428 3.003 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCc2ccc(F)cc2[C@H](C)C1 ZINC000649894432 397746962 /nfs/dbraw/zinc/74/69/62/397746962.db2.gz LIRPNMQAGPVBJU-CZUORRHYSA-N 1 1 277.383 3.114 20 30 CGEDMO COc1cccc2c1C[N@H+](CC#Cc1ccccc1)CC2 ZINC000650109672 397785094 /nfs/dbraw/zinc/78/50/94/397785094.db2.gz BSGSFHKJUCSNKT-UHFFFAOYSA-N 1 1 277.367 3.105 20 30 CGEDMO COc1cccc2c1C[N@@H+](CC#Cc1ccccc1)CC2 ZINC000650109672 397785097 /nfs/dbraw/zinc/78/50/97/397785097.db2.gz BSGSFHKJUCSNKT-UHFFFAOYSA-N 1 1 277.367 3.105 20 30 CGEDMO C=CCOc1ccccc1CNCc1ccccc1C[NH2+]C ZINC000650718257 397901447 /nfs/dbraw/zinc/90/14/47/397901447.db2.gz DZVFIRHOBVHXQN-UHFFFAOYSA-N 1 1 296.414 3.261 20 30 CGEDMO COC[C@H]1CCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000674469100 543287325 /nfs/dbraw/zinc/28/73/25/543287325.db2.gz GGSBXLNCTCILLY-OAHLLOKOSA-N 1 1 297.320 3.168 20 30 CGEDMO C=C(C)C[N@@H+](CCC)C[C@H]1COc2ccccc2O1 ZINC000675592722 543347995 /nfs/dbraw/zinc/34/79/95/543347995.db2.gz PDGKNMOIWYMTMP-AWEZNQCLSA-N 1 1 261.365 3.115 20 30 CGEDMO COCC#CC[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000677133483 543435725 /nfs/dbraw/zinc/43/57/25/543435725.db2.gz YGEPLKWKXGTPIN-HNNXBMFYSA-N 1 1 263.768 3.127 20 30 CGEDMO COCC#CC[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC000677133483 543435726 /nfs/dbraw/zinc/43/57/26/543435726.db2.gz YGEPLKWKXGTPIN-HNNXBMFYSA-N 1 1 263.768 3.127 20 30 CGEDMO COCC#CC[N@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000677820446 543468279 /nfs/dbraw/zinc/46/82/79/543468279.db2.gz NTSYDIGATHGNKO-MRXNPFEDSA-N 1 1 261.340 3.003 20 30 CGEDMO COCC#CC[N@@H+](CCc1cccc(F)c1)C1CCCC1 ZINC000677820787 543468315 /nfs/dbraw/zinc/46/83/15/543468315.db2.gz WSPKLPDRUFEQQR-UHFFFAOYSA-N 1 1 289.394 3.263 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000678049323 543479364 /nfs/dbraw/zinc/47/93/64/543479364.db2.gz HQTLFRARYNCARZ-HIFRSBDPSA-N 1 1 265.784 3.066 20 30 CGEDMO C[C@H]1C[NH+](Cc2ccc(C#N)cc2F)C[C@H](C)S1 ZINC000070383224 286989044 /nfs/dbraw/zinc/98/90/44/286989044.db2.gz GCKILWXHHJUJFI-QWRGUYRKSA-N 1 1 264.369 3.023 20 30 CGEDMO C[C@H]1CCCCC[N@H+]1CCOc1ccccc1C#N ZINC000070409568 165060294 /nfs/dbraw/zinc/06/02/94/165060294.db2.gz ZEYBFFVWVUNRFG-AWEZNQCLSA-N 1 1 258.365 3.202 20 30 CGEDMO COc1ccc(C[N@@H+](C)C2CCCCC2)cc1C#N ZINC000087833101 165190264 /nfs/dbraw/zinc/19/02/64/165190264.db2.gz OIFXWOPQQNTCSG-UHFFFAOYSA-N 1 1 258.365 3.331 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000284989618 196172755 /nfs/dbraw/zinc/17/27/55/196172755.db2.gz YIDAQWMVZPPEMF-JKSUJKDBSA-N 1 1 290.794 3.355 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000284989618 196172758 /nfs/dbraw/zinc/17/27/58/196172758.db2.gz YIDAQWMVZPPEMF-JKSUJKDBSA-N 1 1 290.794 3.355 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)cc1 ZINC000285215788 196223658 /nfs/dbraw/zinc/22/36/58/196223658.db2.gz AEISBIXUFYPWLY-MRXNPFEDSA-N 1 1 266.348 3.009 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)cc1 ZINC000285215788 196223659 /nfs/dbraw/zinc/22/36/59/196223659.db2.gz AEISBIXUFYPWLY-MRXNPFEDSA-N 1 1 266.348 3.009 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)o1)Cc1ccc(F)c(F)c1 ZINC000130456232 287355862 /nfs/dbraw/zinc/35/58/62/287355862.db2.gz IUGQHUQMTXUPLP-UHFFFAOYSA-N 1 1 262.259 3.061 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)o1)Cc1ccc(F)c(F)c1 ZINC000130456232 287355863 /nfs/dbraw/zinc/35/58/63/287355863.db2.gz IUGQHUQMTXUPLP-UHFFFAOYSA-N 1 1 262.259 3.061 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CC[C@H](C)C2(CCCCC2)C1 ZINC000680901559 543745352 /nfs/dbraw/zinc/74/53/52/543745352.db2.gz HZWIKXORNFEXEX-LSDHHAIUSA-N 1 1 251.414 3.216 20 30 CGEDMO CCC#C[C@H](C)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000680401214 543708841 /nfs/dbraw/zinc/70/88/41/543708841.db2.gz JNMMSHYIRPCZDF-ARFHVFGLSA-N 1 1 262.441 3.031 20 30 CGEDMO CCC#C[C@H](C)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000680401214 543708844 /nfs/dbraw/zinc/70/88/44/543708844.db2.gz JNMMSHYIRPCZDF-ARFHVFGLSA-N 1 1 262.441 3.031 20 30 CGEDMO O[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C2(CCC2)C1 ZINC000334969605 225378938 /nfs/dbraw/zinc/37/89/38/225378938.db2.gz WWCHHXLWUQSXPO-HNNXBMFYSA-N 1 1 289.806 3.071 20 30 CGEDMO O[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C2(CCC2)C1 ZINC000334969605 225378940 /nfs/dbraw/zinc/37/89/40/225378940.db2.gz WWCHHXLWUQSXPO-HNNXBMFYSA-N 1 1 289.806 3.071 20 30 CGEDMO C[C@@H]1CN(Cc2ccccc2)[C@@H](C)C[N@H+]1CCCCC#N ZINC000347586653 226209420 /nfs/dbraw/zinc/20/94/20/226209420.db2.gz VENGWJAHISCBTM-SJORKVTESA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1CCCCC#N ZINC000347586653 226209424 /nfs/dbraw/zinc/20/94/24/226209424.db2.gz VENGWJAHISCBTM-SJORKVTESA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1CCCCC#N ZINC000347586653 226209428 /nfs/dbraw/zinc/20/94/28/226209428.db2.gz VENGWJAHISCBTM-SJORKVTESA-N 1 1 285.435 3.275 20 30 CGEDMO C=CCN1CC[C@@H]([N@@H+]2CCc3ccccc3[C@@H]2C(C)C)C1=O ZINC000685002232 544050240 /nfs/dbraw/zinc/05/02/40/544050240.db2.gz CHSSOKWVSVPMDV-MSOLQXFVSA-N 1 1 298.430 3.029 20 30 CGEDMO CO[C@H]1C[C@@H](C(=O)Nc2ccc3occ(C)c3c2)[N@H+](C)C1 ZINC000329101747 227297464 /nfs/dbraw/zinc/29/74/64/227297464.db2.gz ZVIGULOVVGPBEF-JSGCOSHPSA-N 1 1 288.347 3.048 20 30 CGEDMO CO[C@H]1C[C@@H](C(=O)Nc2ccc3occ(C)c3c2)[N@@H+](C)C1 ZINC000329101747 227297468 /nfs/dbraw/zinc/29/74/68/227297468.db2.gz ZVIGULOVVGPBEF-JSGCOSHPSA-N 1 1 288.347 3.048 20 30 CGEDMO C=CCCNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000664374788 418944778 /nfs/dbraw/zinc/94/47/78/418944778.db2.gz NSOIXFFHEWYJMD-CYBMUJFWSA-N 1 1 298.390 3.117 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CCCC1 ZINC000654315590 418960298 /nfs/dbraw/zinc/96/02/98/418960298.db2.gz SXIIDOGELSRDAV-JKSUJKDBSA-N 1 1 290.451 3.256 20 30 CGEDMO C=CCCn1cc(C[N@H+]2[C@H](C)C[C@@H]3CCCC[C@H]32)nn1 ZINC000653559672 419047734 /nfs/dbraw/zinc/04/77/34/419047734.db2.gz NQJXSTDIYDBBAE-IJEWVQPXSA-N 1 1 274.412 3.007 20 30 CGEDMO C=CC[N@@H+](CCO[C@H]1CC1(F)F)Cc1ccccc1F ZINC000659850802 419013665 /nfs/dbraw/zinc/01/36/65/419013665.db2.gz BHSBXZHJSSCZSM-AWEZNQCLSA-N 1 1 285.309 3.238 20 30 CGEDMO C=CC[N@H+](CCO[C@H]1CC1(F)F)Cc1ccccc1F ZINC000659850802 419013668 /nfs/dbraw/zinc/01/36/68/419013668.db2.gz BHSBXZHJSSCZSM-AWEZNQCLSA-N 1 1 285.309 3.238 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CC[C@](C)(c3ccccc3)C2)nn1 ZINC000653568294 419052535 /nfs/dbraw/zinc/05/25/35/419052535.db2.gz QBXDVNOERYVAPW-SFHVURJKSA-N 1 1 296.418 3.018 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CCCC(C)(C)[C@H]2CC=C)nn1 ZINC000653647060 419064567 /nfs/dbraw/zinc/06/45/67/419064567.db2.gz UIEJZMYELBUBEO-MRXNPFEDSA-N 1 1 288.439 3.421 20 30 CGEDMO C=C(C)C[N@@H+](CCC1CCC1)Cc1ccc(CO)o1 ZINC000660536285 419158296 /nfs/dbraw/zinc/15/82/96/419158296.db2.gz GAIPYRNXDWZPQX-UHFFFAOYSA-N 1 1 263.381 3.340 20 30 CGEDMO C=CC[N@@H+](Cc1cnc2ccccc2c1)[C@@H](C)COC ZINC000661239415 419243633 /nfs/dbraw/zinc/24/36/33/419243633.db2.gz GGVCTZCFIVHETI-AWEZNQCLSA-N 1 1 270.376 3.258 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(SC)c(OC)c1)[C@H](C)COC ZINC000661243110 419244019 /nfs/dbraw/zinc/24/40/19/419244019.db2.gz JEOQFUAPHOQQMS-CYBMUJFWSA-N 1 1 295.448 3.440 20 30 CGEDMO C=CC[N@@H+](Cc1cccc2cccnc21)[C@@H](C)COC ZINC000661241298 419244153 /nfs/dbraw/zinc/24/41/53/419244153.db2.gz VHZLCGQFALDUOX-AWEZNQCLSA-N 1 1 270.376 3.258 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(OC(F)F)c1)[C@@H](C)COC ZINC000661242175 419244459 /nfs/dbraw/zinc/24/44/59/419244459.db2.gz HXHLVQWBAOCJDB-LBPRGKRZSA-N 1 1 285.334 3.311 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@H](C)c2nc(-c3cccnc3)no2)C1 ZINC000661378838 419255751 /nfs/dbraw/zinc/25/57/51/419255751.db2.gz MZRBJCZLFZNOGJ-KGLIPLIRSA-N 1 1 298.390 3.481 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2)C1 ZINC000661379411 419256186 /nfs/dbraw/zinc/25/61/86/419256186.db2.gz YASOYFNUZDHLRQ-LSDHHAIUSA-N 1 1 272.392 3.302 20 30 CGEDMO C[C@@H](CO)[C@H]1CCCC[N@H+]1CC#Cc1ccccc1Cl ZINC000661441908 419261368 /nfs/dbraw/zinc/26/13/68/419261368.db2.gz IIOVEZQGHGLVMI-WMLDXEAASA-N 1 1 291.822 3.174 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccc(OC)c(F)c1 ZINC000661657619 419282874 /nfs/dbraw/zinc/28/28/74/419282874.db2.gz BZTLTDKQGKUZEE-HOCLYGCPSA-N 1 1 293.382 3.298 20 30 CGEDMO Fc1ccc(C#CC[NH+]2CCC(c3ccon3)CC2)cc1 ZINC000662048498 419328664 /nfs/dbraw/zinc/32/86/64/419328664.db2.gz XTQLEWDNLHPWIV-UHFFFAOYSA-N 1 1 284.334 3.045 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)NCc1ccccc1C ZINC000662078095 419332712 /nfs/dbraw/zinc/33/27/12/419332712.db2.gz AJRCRXUIADNKIV-NXHRZFHOSA-N 1 1 298.430 3.183 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1noc(-c2ccccc2)n1 ZINC000662078323 419332905 /nfs/dbraw/zinc/33/29/05/419332905.db2.gz AKYVTJKJIMEWCM-GASCZTMLSA-N 1 1 281.359 3.420 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1noc(-c2ccccc2)n1 ZINC000662078323 419332907 /nfs/dbraw/zinc/33/29/07/419332907.db2.gz AKYVTJKJIMEWCM-GASCZTMLSA-N 1 1 281.359 3.420 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)N1CCCC[C@H]1CC ZINC000662081549 419333318 /nfs/dbraw/zinc/33/33/18/419333318.db2.gz USWJNHLUVWGVRB-VQHPVUNQSA-N 1 1 290.451 3.349 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1nc2ccccc2n1C ZINC000662087831 419334218 /nfs/dbraw/zinc/33/42/18/419334218.db2.gz MMKMVXXQDFLVST-GASCZTMLSA-N 1 1 281.403 3.299 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)NCC1CCCCC1 ZINC000662084128 419334498 /nfs/dbraw/zinc/33/44/98/419334498.db2.gz MYBNKQYLCAPXMF-CALCHBBNSA-N 1 1 290.451 3.256 20 30 CGEDMO C=C(C)[C@@H]1OCC[C@@H]1CNc1[nH+]ccc2c(N)cccc21 ZINC000663870382 419747728 /nfs/dbraw/zinc/74/77/28/419747728.db2.gz UBRFHGZCZSXUPY-WBMJQRKESA-N 1 1 283.375 3.210 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000179577041 260055562 /nfs/dbraw/zinc/05/55/62/260055562.db2.gz FGJIVVFEHAVXRB-CABCVRRESA-N 1 1 287.469 3.020 20 30 CGEDMO C=C(Cl)C[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000298537104 260156398 /nfs/dbraw/zinc/15/63/98/260156398.db2.gz MUBRHMBSKQFYGT-GFCCVEGCSA-N 1 1 260.164 3.106 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)[C@H](C)C(=O)NC(C)(C)CC ZINC000298756945 260161484 /nfs/dbraw/zinc/16/14/84/260161484.db2.gz CMXCVTJZCVWUOU-CQSZACIVSA-N 1 1 292.423 3.003 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)[C@H](C)C(=O)NC(C)(C)CC ZINC000298756945 260161486 /nfs/dbraw/zinc/16/14/86/260161486.db2.gz CMXCVTJZCVWUOU-CQSZACIVSA-N 1 1 292.423 3.003 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1Cl)C1CC1 ZINC000357554241 260230818 /nfs/dbraw/zinc/23/08/18/260230818.db2.gz OHSXVYADUIBKRP-UHFFFAOYSA-N 1 1 251.757 3.499 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1Cl)C1CC1 ZINC000357554241 260230816 /nfs/dbraw/zinc/23/08/16/260230816.db2.gz OHSXVYADUIBKRP-UHFFFAOYSA-N 1 1 251.757 3.499 20 30 CGEDMO C[C@@H](CC#N)[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000068610253 260257118 /nfs/dbraw/zinc/25/71/18/260257118.db2.gz QFEATAZCECRCKV-UWVGGRQHSA-N 1 1 254.280 3.241 20 30 CGEDMO C[N@@H+](CCCCC(C)(C)C#N)C[C@H]1CCCC[C@H]1O ZINC000444674794 261061793 /nfs/dbraw/zinc/06/17/93/261061793.db2.gz LKAJLOXZLJRUON-HUUCEWRRSA-N 1 1 266.429 3.189 20 30 CGEDMO CC(C)C[C@@H]1COCC[N@H+]1CCCC(C)(C)C#N ZINC000174862779 261200397 /nfs/dbraw/zinc/20/03/97/261200397.db2.gz ZUCUVVAPFCAVOD-CQSZACIVSA-N 1 1 252.402 3.063 20 30 CGEDMO C#CC[N@@H+](CC)Cc1cnc(-c2ccsc2)s1 ZINC000490897991 261240203 /nfs/dbraw/zinc/24/02/03/261240203.db2.gz HGGSZTOKQQVKIC-UHFFFAOYSA-N 1 1 262.403 3.327 20 30 CGEDMO C#CC[N@H+](CC)Cc1cnc(-c2ccsc2)s1 ZINC000490897991 261240204 /nfs/dbraw/zinc/24/02/04/261240204.db2.gz HGGSZTOKQQVKIC-UHFFFAOYSA-N 1 1 262.403 3.327 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1coc(-c2cccc(F)c2)n1 ZINC000491071039 261317341 /nfs/dbraw/zinc/31/73/41/261317341.db2.gz HKGDOXNCPHUOGN-UHFFFAOYSA-N 1 1 272.323 3.324 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1coc(-c2cccc(F)c2)n1 ZINC000491071039 261317343 /nfs/dbraw/zinc/31/73/43/261317343.db2.gz HKGDOXNCPHUOGN-UHFFFAOYSA-N 1 1 272.323 3.324 20 30 CGEDMO C#CC[N@H+](Cc1cccc(Br)n1)C1CCCC1 ZINC000491191875 261366242 /nfs/dbraw/zinc/36/62/42/261366242.db2.gz IRFLBWNZLWCNAH-UHFFFAOYSA-N 1 1 293.208 3.222 20 30 CGEDMO CC(C)(C#N)CCCC[N@@H+]1CCC[C@@H]1CN1CCCC1 ZINC000364350427 262212543 /nfs/dbraw/zinc/21/25/43/262212543.db2.gz FLSKVMSKOQRNHP-MRXNPFEDSA-N 1 1 277.456 3.267 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H]1CN1CCCC1 ZINC000364350427 262212545 /nfs/dbraw/zinc/21/25/45/262212545.db2.gz FLSKVMSKOQRNHP-MRXNPFEDSA-N 1 1 277.456 3.267 20 30 CGEDMO C=CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(F)cc2F)CC1 ZINC000111260295 262259236 /nfs/dbraw/zinc/25/92/36/262259236.db2.gz XXDYBXCGIAZDRC-NSHDSACASA-N 1 1 294.345 3.190 20 30 CGEDMO C=CC1CC[NH+]([C@H](C)C(=O)Nc2cc(F)ccc2F)CC1 ZINC000111260302 262259260 /nfs/dbraw/zinc/25/92/60/262259260.db2.gz DFAULLJMPGGHOM-LLVKDONJSA-N 1 1 294.345 3.190 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H]1CCCCO1 ZINC000336838799 262399516 /nfs/dbraw/zinc/39/95/16/262399516.db2.gz RFHZPHYPCCRSAC-KSZLIROESA-N 1 1 284.403 3.327 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H]1CCCCO1 ZINC000336838799 262399517 /nfs/dbraw/zinc/39/95/17/262399517.db2.gz RFHZPHYPCCRSAC-KSZLIROESA-N 1 1 284.403 3.327 20 30 CGEDMO C[N@@H+](CCCC1(C#N)CCOCC1)C(C1CC1)C1CC1 ZINC000337140828 262425856 /nfs/dbraw/zinc/42/58/56/262425856.db2.gz RMOZNWHZSXADQD-UHFFFAOYSA-N 1 1 276.424 3.207 20 30 CGEDMO CC[C@@H]1[C@@H](C)CC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000337214901 262436017 /nfs/dbraw/zinc/43/60/17/262436017.db2.gz XWSHJPGCPYYIEA-LSDHHAIUSA-N 1 1 264.413 3.207 20 30 CGEDMO CC(C)(C#N)CC[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000273391936 263016604 /nfs/dbraw/zinc/01/66/04/263016604.db2.gz FFHHAPHWBPEESI-KRWDZBQOSA-N 1 1 286.419 3.260 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000273391936 263016605 /nfs/dbraw/zinc/01/66/05/263016605.db2.gz FFHHAPHWBPEESI-KRWDZBQOSA-N 1 1 286.419 3.260 20 30 CGEDMO C[C@@H]1CCCC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000274914480 263031723 /nfs/dbraw/zinc/03/17/23/263031723.db2.gz XKYMKCKOPCJBCZ-CQSZACIVSA-N 1 1 258.365 3.211 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000276443462 263036801 /nfs/dbraw/zinc/03/68/01/263036801.db2.gz OTRAMJFYMBDLAJ-UHFFFAOYSA-N 1 1 299.418 3.058 20 30 CGEDMO Cc1cccc2c1C[N@@H+](Cc1ccc(OCC#N)cc1)CC2 ZINC000277184617 263040076 /nfs/dbraw/zinc/04/00/76/263040076.db2.gz LMGQHQXPHUBFHB-UHFFFAOYSA-N 1 1 292.382 3.456 20 30 CGEDMO CCn1ccnc1[C@H]1CCCC[N@H+]1CCCCC#N ZINC000281142947 263066714 /nfs/dbraw/zinc/06/67/14/263066714.db2.gz ZIJMCWRTKFSPON-CQSZACIVSA-N 1 1 260.385 3.124 20 30 CGEDMO C[N@@H+](CCCC(C)(C)C#N)CCc1cccc([N+](=O)[O-])c1 ZINC000282552590 263077492 /nfs/dbraw/zinc/07/74/92/263077492.db2.gz XKJWNELDCCRITC-UHFFFAOYSA-N 1 1 289.379 3.399 20 30 CGEDMO CC[C@](C)(C#N)C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000285878738 263096425 /nfs/dbraw/zinc/09/64/25/263096425.db2.gz IKVCXLCUOWUVKF-OAHLLOKOSA-N 1 1 293.798 3.280 20 30 CGEDMO COC[C@@H]([NH2+]CCCC#N)c1cccc(Cl)c1F ZINC000287558156 263102271 /nfs/dbraw/zinc/10/22/71/263102271.db2.gz GBKYRWXXSVFJIQ-GFCCVEGCSA-N 1 1 270.735 3.060 20 30 CGEDMO C[N@@H+](CCCOc1ccc(F)cc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000293610629 263144103 /nfs/dbraw/zinc/14/41/03/263144103.db2.gz VOXJLJUNQJHFJX-UKRRQHHQSA-N 1 1 276.355 3.219 20 30 CGEDMO N#C[C@H]1CC[C@H]([N@H+]2CCC=C(c3ccccc3)C2)C1 ZINC000294208913 263158029 /nfs/dbraw/zinc/15/80/29/263158029.db2.gz RSSQWNZITTVDQV-YOEHRIQHSA-N 1 1 252.361 3.468 20 30 CGEDMO CC[C@@H]1CN([C@H]2CC[C@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000294631411 263164828 /nfs/dbraw/zinc/16/48/28/263164828.db2.gz PIJCTWJTMAOHIC-OTWHNJEPSA-N 1 1 297.446 3.275 20 30 CGEDMO CC[C@@H]1C[N@@H+]([C@H]2CC[C@H](C#N)C2)CCN1Cc1ccccc1 ZINC000294631411 263164829 /nfs/dbraw/zinc/16/48/29/263164829.db2.gz PIJCTWJTMAOHIC-OTWHNJEPSA-N 1 1 297.446 3.275 20 30 CGEDMO CC[C@@H]1C[N@H+]([C@H]2CC[C@H](C#N)C2)CCN1Cc1ccccc1 ZINC000294631411 263164830 /nfs/dbraw/zinc/16/48/30/263164830.db2.gz PIJCTWJTMAOHIC-OTWHNJEPSA-N 1 1 297.446 3.275 20 30 CGEDMO COc1c(C)cnc(C[N@@H+](C)CCCC(C)(C)C#N)c1C ZINC000295093384 263172348 /nfs/dbraw/zinc/17/23/48/263172348.db2.gz FNIPQLHJWSSGGF-UHFFFAOYSA-N 1 1 289.423 3.469 20 30 CGEDMO COc1ccc([C@@H]2CC[N@H+]([C@@H](C)CCC#N)C2)cc1 ZINC000298034710 263214241 /nfs/dbraw/zinc/21/42/41/263214241.db2.gz FZGCSIHFVWKAPA-DZGCQCFKSA-N 1 1 258.365 3.177 20 30 CGEDMO C[C@H]([NH2+]CCC#N)c1ccc(-c2cccnc2)cc1 ZINC000299019787 263229088 /nfs/dbraw/zinc/22/90/88/263229088.db2.gz RCHXSVBJRLKFDX-ZDUSSCGKSA-N 1 1 251.333 3.313 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000299201822 263234849 /nfs/dbraw/zinc/23/48/49/263234849.db2.gz GGTHIISDFJBJTM-RDJZCZTQSA-N 1 1 272.392 3.217 20 30 CGEDMO C=CC[C@H](CO)CNc1cc[nH+]c2cc(Cl)ccc12 ZINC000340894339 263312878 /nfs/dbraw/zinc/31/28/78/263312878.db2.gz XMJSMYLTNYDPKN-NSHDSACASA-N 1 1 276.767 3.485 20 30 CGEDMO C=C1CC[NH+]([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000342000030 263374759 /nfs/dbraw/zinc/37/47/59/263374759.db2.gz XZXFKXHBQCNFSA-SFHVURJKSA-N 1 1 298.430 3.392 20 30 CGEDMO C=C1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000342001709 263375114 /nfs/dbraw/zinc/37/51/14/263375114.db2.gz LFXYUQJELFSVGP-HNNXBMFYSA-N 1 1 272.392 3.282 20 30 CGEDMO C=C1CC[NH+]([C@H](CC)C(=O)Nc2ccc(OC)cc2)CC1 ZINC000342013643 263378631 /nfs/dbraw/zinc/37/86/31/263378631.db2.gz UCQZXDIXZBYCFY-MRXNPFEDSA-N 1 1 288.391 3.064 20 30 CGEDMO C=CCC[N@H+](C)CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000342729506 263481769 /nfs/dbraw/zinc/48/17/69/263481769.db2.gz FMMSBSHOEFZTIR-KRWDZBQOSA-N 1 1 286.419 3.078 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCCC[C@@H]1CC(N)=O ZINC000330982719 264102949 /nfs/dbraw/zinc/10/29/49/264102949.db2.gz HMVMODMQPFYMQF-GFCCVEGCSA-N 1 1 251.374 3.096 20 30 CGEDMO COc1cccc2c1CC[N@@H+](Cc1ccc(C#N)cc1)CC2 ZINC000193706841 270079721 /nfs/dbraw/zinc/07/97/21/270079721.db2.gz UJCIJTZYOZCJOD-UHFFFAOYSA-N 1 1 292.382 3.168 20 30 CGEDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000194921967 266074405 /nfs/dbraw/zinc/07/44/05/266074405.db2.gz QCUMRTDVBVQBAJ-KRWDZBQOSA-N 1 1 272.392 3.339 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC[C@@H]2c2cc(C)on2)cc1 ZINC000367229012 266095330 /nfs/dbraw/zinc/09/53/30/266095330.db2.gz NTOVSCBTJOUJEQ-GOSISDBHSA-N 1 1 296.370 3.332 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C)on2)cc1 ZINC000367229012 266095331 /nfs/dbraw/zinc/09/53/31/266095331.db2.gz NTOVSCBTJOUJEQ-GOSISDBHSA-N 1 1 296.370 3.332 20 30 CGEDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1Cc1ccccc1C(C)(C)C#N ZINC000356996716 266228927 /nfs/dbraw/zinc/22/89/27/266228927.db2.gz HQSHNTFEVJXTPR-LSDHHAIUSA-N 1 1 285.435 3.012 20 30 CGEDMO C[C@@H]1[C@H](C)N(C)CC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000356996716 266228929 /nfs/dbraw/zinc/22/89/29/266228929.db2.gz HQSHNTFEVJXTPR-LSDHHAIUSA-N 1 1 285.435 3.012 20 30 CGEDMO C[C@@H]1[C@H](C)N(C)CC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000356996716 266228930 /nfs/dbraw/zinc/22/89/30/266228930.db2.gz HQSHNTFEVJXTPR-LSDHHAIUSA-N 1 1 285.435 3.012 20 30 CGEDMO C=CC[N@@H+](CC(=O)N(C)[C@H]1CCCc2ccccc21)C1CC1 ZINC000357556281 266323085 /nfs/dbraw/zinc/32/30/85/266323085.db2.gz VNBJDHUJNITSMP-SFHVURJKSA-N 1 1 298.430 3.173 20 30 CGEDMO C=CC[N@H+](CC(=O)N(C)[C@H]1CCCc2ccccc21)C1CC1 ZINC000357556281 266323088 /nfs/dbraw/zinc/32/30/88/266323088.db2.gz VNBJDHUJNITSMP-SFHVURJKSA-N 1 1 298.430 3.173 20 30 CGEDMO C=CC[NH+](CC=C)[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000357653435 266340617 /nfs/dbraw/zinc/34/06/17/266340617.db2.gz JYWCPTMLYIAYLX-ZDUSSCGKSA-N 1 1 292.810 3.019 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](CNc2c(Cl)cccc2C#N)C1 ZINC000531788809 266922003 /nfs/dbraw/zinc/92/20/03/266922003.db2.gz PPGOCNLFSNOYEB-GFCCVEGCSA-N 1 1 277.799 3.354 20 30 CGEDMO Cc1nsc(NC[C@@H]2CC[N@H+]2C2CCCCC2)c1C#N ZINC000528120041 270154966 /nfs/dbraw/zinc/15/49/66/270154966.db2.gz YUQNXPULGCHNLU-ZDUSSCGKSA-N 1 1 290.436 3.142 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCCn1ccnc1 ZINC000367762477 267116188 /nfs/dbraw/zinc/11/61/88/267116188.db2.gz CICUYDBRSBSHGK-ROUUACIJSA-N 1 1 294.402 3.045 20 30 CGEDMO N#CC1(CCC[N@H+]2CCC[C@H](C3CC3)C2)CCOCC1 ZINC000367988545 267132675 /nfs/dbraw/zinc/13/26/75/267132675.db2.gz LJNYLLLNAPALRF-INIZCTEOSA-N 1 1 276.424 3.209 20 30 CGEDMO C[C@@H]1[N@@H+](CCCC(C)(C)C#N)CCC12CCOCC2 ZINC000368814893 267206801 /nfs/dbraw/zinc/20/68/01/267206801.db2.gz XGQYGUHJFGDLGZ-AWEZNQCLSA-N 1 1 264.413 3.207 20 30 CGEDMO COCCCC[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000369802547 267267236 /nfs/dbraw/zinc/26/72/36/267267236.db2.gz CYJRGKGHBNYCIP-IAGOWNOFSA-N 1 1 272.392 3.185 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CC[C@@H](C)O1 ZINC000249113478 276255606 /nfs/dbraw/zinc/25/56/06/276255606.db2.gz RPWUFQWSHARCGG-RHSMWYFYSA-N 1 1 272.392 3.338 20 30 CGEDMO C[C@@H](NC[C@H]1[NH2+]CCc2ccccc21)c1cccc(C#N)c1 ZINC000423415058 278355919 /nfs/dbraw/zinc/35/59/19/278355919.db2.gz DHAVVTHNKJUHPR-AUUYWEPGSA-N 1 1 291.398 3.096 20 30 CGEDMO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1nccs1 ZINC000080267876 278379184 /nfs/dbraw/zinc/37/91/84/278379184.db2.gz NOQSZUMNDDKSOM-GHMZBOCLSA-N 1 1 257.362 3.427 20 30 CGEDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc(C#N)cs1 ZINC000336608192 279077737 /nfs/dbraw/zinc/07/77/37/279077737.db2.gz GBJGQHFPFDNGCU-KCJUWKMLSA-N 1 1 274.311 3.392 20 30 CGEDMO C[C@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000334686448 279772015 /nfs/dbraw/zinc/77/20/15/279772015.db2.gz OZOLQSSDSNTLLX-MEDUHNTESA-N 1 1 283.400 3.428 20 30 CGEDMO C[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)[C@@H](C)C[N@H+]1C ZINC000351942540 288218822 /nfs/dbraw/zinc/21/88/22/288218822.db2.gz BHRKYGFAZZPYFS-CABCVRRESA-N 1 1 285.435 3.012 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)[C@@H](C)CN1C ZINC000351942540 288218823 /nfs/dbraw/zinc/21/88/23/288218823.db2.gz BHRKYGFAZZPYFS-CABCVRRESA-N 1 1 285.435 3.012 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@@H](C)CN1C ZINC000351942540 288218824 /nfs/dbraw/zinc/21/88/24/288218824.db2.gz BHRKYGFAZZPYFS-CABCVRRESA-N 1 1 285.435 3.012 20 30 CGEDMO Cc1csc(C2([NH2+]CC#Cc3ccccc3)CCC2)n1 ZINC000276739147 281713778 /nfs/dbraw/zinc/71/37/78/281713778.db2.gz ADBKVGZMVWYHHF-UHFFFAOYSA-N 1 1 282.412 3.472 20 30 CGEDMO C[NH+](C)CC1(CN[C@H]2CCc3ccc(C#N)cc32)CCCC1 ZINC000353680349 282075513 /nfs/dbraw/zinc/07/55/13/282075513.db2.gz TZCNEYBLDJQZGO-SFHVURJKSA-N 1 1 297.446 3.257 20 30 CGEDMO CN(C)CC1(C[NH2+][C@H]2CCc3ccc(C#N)cc32)CCCC1 ZINC000353680349 282075515 /nfs/dbraw/zinc/07/55/15/282075515.db2.gz TZCNEYBLDJQZGO-SFHVURJKSA-N 1 1 297.446 3.257 20 30 CGEDMO CN(C)CC[N@@H+](Cc1ccc(C#N)cc1)CC1(C)CCC1 ZINC000348919310 289145051 /nfs/dbraw/zinc/14/50/51/289145051.db2.gz FSRJISRBUDEBFD-UHFFFAOYSA-N 1 1 285.435 3.112 20 30 CGEDMO C[NH+](C)CCN(Cc1ccc(C#N)cc1)CC1(C)CCC1 ZINC000348919310 289145053 /nfs/dbraw/zinc/14/50/53/289145053.db2.gz FSRJISRBUDEBFD-UHFFFAOYSA-N 1 1 285.435 3.112 20 30 CGEDMO N#CC1(CC[N@H+]2CCS[C@@H]3COCC[C@@H]32)CCCCC1 ZINC000334562573 303141500 /nfs/dbraw/zinc/14/15/00/303141500.db2.gz MZQCRBKNIPQMHP-LSDHHAIUSA-N 1 1 294.464 3.057 20 30 CGEDMO N#Cc1ccccc1C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000152923428 303205838 /nfs/dbraw/zinc/20/58/38/303205838.db2.gz JKRCVBJMRPJQTL-SFHVURJKSA-N 1 1 284.403 3.482 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(OC(C)C)c(OC)c1 ZINC000054182873 327888130 /nfs/dbraw/zinc/88/81/30/327888130.db2.gz HFCBXWSRMNLBSZ-CQSZACIVSA-N 1 1 276.380 3.264 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](CCC#N)C(C)C)c1 ZINC000534342180 328049996 /nfs/dbraw/zinc/04/99/96/328049996.db2.gz QMAYUAISIZUAKR-UHFFFAOYSA-N 1 1 258.365 3.375 20 30 CGEDMO C=CCOc1cccc(C[N@H+](CCC#N)C(C)C)c1 ZINC000534342180 328049997 /nfs/dbraw/zinc/04/99/97/328049997.db2.gz QMAYUAISIZUAKR-UHFFFAOYSA-N 1 1 258.365 3.375 20 30 CGEDMO CCc1ncc(C[NH2+][C@H](CCC#N)c2ccccc2)cn1 ZINC000414357361 328154807 /nfs/dbraw/zinc/15/48/07/328154807.db2.gz CSMHXYXXKMMDQT-MRXNPFEDSA-N 1 1 280.375 3.174 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCSC[C@H]1C1CC1 ZINC000451645717 328158984 /nfs/dbraw/zinc/15/89/84/328158984.db2.gz FUCSRGBVBJCVIT-ZDUSSCGKSA-N 1 1 252.427 3.144 20 30 CGEDMO N#CCCC[NH2+]Cc1csc(-c2cccs2)n1 ZINC000273076427 328203506 /nfs/dbraw/zinc/20/35/06/328203506.db2.gz PMBSUGSYVNGIKM-UHFFFAOYSA-N 1 1 263.391 3.265 20 30 CGEDMO C[C@@H](CCC#N)[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000276361006 328218157 /nfs/dbraw/zinc/21/81/57/328218157.db2.gz YMEHTAPJKSJDMF-WMZOPIPTSA-N 1 1 285.435 3.133 20 30 CGEDMO C[C@@H](CCC#N)[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000276361006 328218158 /nfs/dbraw/zinc/21/81/58/328218158.db2.gz YMEHTAPJKSJDMF-WMZOPIPTSA-N 1 1 285.435 3.133 20 30 CGEDMO C[C@@H](CCC#N)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000276361006 328218159 /nfs/dbraw/zinc/21/81/59/328218159.db2.gz YMEHTAPJKSJDMF-WMZOPIPTSA-N 1 1 285.435 3.133 20 30 CGEDMO C[C@@H](CCC#N)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276361006 328218160 /nfs/dbraw/zinc/21/81/60/328218160.db2.gz YMEHTAPJKSJDMF-WMZOPIPTSA-N 1 1 285.435 3.133 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000178067755 329192146 /nfs/dbraw/zinc/19/21/46/329192146.db2.gz UXOIJECRUFONTM-CQSZACIVSA-N 1 1 287.325 3.464 20 30 CGEDMO N#CC1CC[NH+](Cc2cccc(C(F)F)c2)CC1 ZINC000279558900 328232999 /nfs/dbraw/zinc/23/29/99/328232999.db2.gz XHQLLTFMCGKCDF-UHFFFAOYSA-N 1 1 250.292 3.360 20 30 CGEDMO CC1(C)C[N@H+]([C@@H]2CC[C@H](C#N)C2)CCN1Cc1ccccc1 ZINC000293158147 328274565 /nfs/dbraw/zinc/27/45/65/328274565.db2.gz RIVLKMJXWOGDFN-ZWKOTPCHSA-N 1 1 297.446 3.275 20 30 CGEDMO CC1(C)CN([C@@H]2CC[C@H](C#N)C2)CC[N@@H+]1Cc1ccccc1 ZINC000293158147 328274566 /nfs/dbraw/zinc/27/45/66/328274566.db2.gz RIVLKMJXWOGDFN-ZWKOTPCHSA-N 1 1 297.446 3.275 20 30 CGEDMO CC1(C)CN([C@@H]2CC[C@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000293158147 328274568 /nfs/dbraw/zinc/27/45/68/328274568.db2.gz RIVLKMJXWOGDFN-ZWKOTPCHSA-N 1 1 297.446 3.275 20 30 CGEDMO Cc1cccc(C[N@H+](C)C[C@H](C#N)CCC#N)c1C ZINC000298198140 328295518 /nfs/dbraw/zinc/29/55/18/328295518.db2.gz CCNCEZIFVLJDHC-HNNXBMFYSA-N 1 1 255.365 3.179 20 30 CGEDMO Cc1cccc(C[N@@H+](C)C[C@H](C#N)CCC#N)c1C ZINC000298198140 328295519 /nfs/dbraw/zinc/29/55/19/328295519.db2.gz CCNCEZIFVLJDHC-HNNXBMFYSA-N 1 1 255.365 3.179 20 30 CGEDMO CCCC[N@@H+](C)C[C@@H](C)N[C@H](C)c1ccc(C#N)cc1F ZINC000567088658 322149871 /nfs/dbraw/zinc/14/98/71/322149871.db2.gz SOWAENJGQRXFLZ-ZIAGYGMSSA-N 1 1 291.414 3.468 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2)nc1 ZINC000569305267 322242386 /nfs/dbraw/zinc/24/23/86/322242386.db2.gz HJVWCHQTVLJUSI-QGZVFWFLSA-N 1 1 263.344 3.290 20 30 CGEDMO Cc1cc(C[N@@H+]2C[C@H](C)OC3(CCC3)C2)ccc1C#N ZINC000571281614 322294677 /nfs/dbraw/zinc/29/46/77/322294677.db2.gz IOEGEVGULULKEZ-AWEZNQCLSA-N 1 1 270.376 3.010 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H]1CCC(C)(C)C1 ZINC000571332170 322295893 /nfs/dbraw/zinc/29/58/93/322295893.db2.gz VUUNFYHIBYQJQZ-CQSZACIVSA-N 1 1 287.363 3.477 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)nc1 ZINC000571951777 322313505 /nfs/dbraw/zinc/31/35/05/322313505.db2.gz IUXGNAPSZUYWDE-GOSISDBHSA-N 1 1 295.361 3.299 20 30 CGEDMO CC[N@@H+](CCCCOc1ccccc1)C[C@@H](C)C#N ZINC000357608255 327077371 /nfs/dbraw/zinc/07/73/71/327077371.db2.gz MOVXTRNYOXWDHT-HNNXBMFYSA-N 1 1 260.381 3.327 20 30 CGEDMO CCc1cccc(NC(=O)C[NH+]2CCC(CCC#N)CC2)c1 ZINC000564449095 327090158 /nfs/dbraw/zinc/09/01/58/327090158.db2.gz WJWXAHNSIUYQFG-UHFFFAOYSA-N 1 1 299.418 3.203 20 30 CGEDMO COc1ccc([C@@H]2CCC[N@H+]2CCCSCC#N)cc1 ZINC000074981289 327122795 /nfs/dbraw/zinc/12/27/95/327122795.db2.gz VTWWRFKISQDZOA-INIZCTEOSA-N 1 1 290.432 3.479 20 30 CGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2C)c1C ZINC000076115590 327128940 /nfs/dbraw/zinc/12/89/40/327128940.db2.gz JXCYPKAXQZUARM-HNNXBMFYSA-N 1 1 299.418 3.034 20 30 CGEDMO CC[C@H]([NH2+]C[C@H](C#N)CCC#N)c1cccc([N+](=O)[O-])c1 ZINC000090068822 327177025 /nfs/dbraw/zinc/17/70/25/327177025.db2.gz DXINMOBLYXHGJA-WFASDCNBSA-N 1 1 286.335 3.079 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+](C)[C@H](C)C1CCCCC1 ZINC000569452812 327179422 /nfs/dbraw/zinc/17/94/22/327179422.db2.gz NNNZXAXUEOMIEU-OAHLLOKOSA-N 1 1 278.440 3.088 20 30 CGEDMO CC#CC[N@@H+](C)[C@@H](C)c1ccc(Br)cc1 ZINC000559458943 327246366 /nfs/dbraw/zinc/24/63/66/327246366.db2.gz QFYLVLYZJVUPRF-NSHDSACASA-N 1 1 266.182 3.465 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@H](O)C(C)(C)C ZINC000559777946 327260973 /nfs/dbraw/zinc/26/09/73/327260973.db2.gz KJJVYIZSVBPEQW-HNNXBMFYSA-N 1 1 265.372 3.221 20 30 CGEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1cccc(OC)c1 ZINC000150899767 327396712 /nfs/dbraw/zinc/39/67/12/327396712.db2.gz NBAAQBWHZLWULR-UHFFFAOYSA-N 1 1 290.407 3.312 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cccc(OC)n1 ZINC000171859581 329080553 /nfs/dbraw/zinc/08/05/53/329080553.db2.gz CVMYXIOIWMWAGA-UHFFFAOYSA-N 1 1 298.386 3.287 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cccc(OC)n1 ZINC000171859581 329080554 /nfs/dbraw/zinc/08/05/54/329080554.db2.gz CVMYXIOIWMWAGA-UHFFFAOYSA-N 1 1 298.386 3.287 20 30 CGEDMO CCCCOc1ccc(C[NH2+]CC2(C#N)CC2)cc1 ZINC000582762288 329151885 /nfs/dbraw/zinc/15/18/85/329151885.db2.gz XPIOBIYSXQPPNY-UHFFFAOYSA-N 1 1 258.365 3.259 20 30 CGEDMO CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+]CCC#N ZINC000514668521 329173436 /nfs/dbraw/zinc/17/34/36/329173436.db2.gz HUTOESRBLJDWQP-GWCFXTLKSA-N 1 1 297.196 3.028 20 30 CGEDMO C=CC[NH+]1CCC(N[C@H](C)c2ccccc2F)CC1 ZINC000177904290 329190396 /nfs/dbraw/zinc/19/03/96/329190396.db2.gz KXLQTDDCLWOSTL-CYBMUJFWSA-N 1 1 262.372 3.127 20 30 CGEDMO C=CCOc1cccc(C[N@H+](C)[C@@H](CO)C(C)(C)C)c1 ZINC000180144899 329217946 /nfs/dbraw/zinc/21/79/46/329217946.db2.gz QJRTWMFGPLNRPA-INIZCTEOSA-N 1 1 277.408 3.090 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000181243214 329227170 /nfs/dbraw/zinc/22/71/70/329227170.db2.gz LCDVRZIVQAOFRU-JTQLQIEISA-N 1 1 291.420 3.170 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000181243214 329227171 /nfs/dbraw/zinc/22/71/71/329227171.db2.gz LCDVRZIVQAOFRU-JTQLQIEISA-N 1 1 291.420 3.170 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(SC)cc1 ZINC000181318906 329231262 /nfs/dbraw/zinc/23/12/62/329231262.db2.gz DNKVFINMFILABS-GFCCVEGCSA-N 1 1 278.421 3.243 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc(SC)cc1 ZINC000181318906 329231264 /nfs/dbraw/zinc/23/12/64/329231264.db2.gz DNKVFINMFILABS-GFCCVEGCSA-N 1 1 278.421 3.243 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)Nc1cccnc1-n1cc[nH+]c1C ZINC000184400605 329259385 /nfs/dbraw/zinc/25/93/85/329259385.db2.gz GYPUXZHLOIXASJ-GFCCVEGCSA-N 1 1 284.363 3.117 20 30 CGEDMO C=CCCCCNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000583092676 329314904 /nfs/dbraw/zinc/31/49/04/329314904.db2.gz WRCAPKTUPINFLB-HNNXBMFYSA-N 1 1 294.826 3.415 20 30 CGEDMO C=C(C)CC[NH2+][C@H](C(=O)OC(C)(C)C)[C@@H](C)CC ZINC000508990682 332854119 /nfs/dbraw/zinc/85/41/19/332854119.db2.gz HREUQGAIZNOINV-STQMWFEESA-N 1 1 255.402 3.299 20 30 CGEDMO CC[C@@H]([NH2+]CC#Cc1ccccc1)c1nccs1 ZINC000080278206 330116562 /nfs/dbraw/zinc/11/65/62/330116562.db2.gz MMSSTLDSNQRQRV-CQSZACIVSA-N 1 1 256.374 3.236 20 30 CGEDMO C[C@H]1CC(F)(F)CC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000528774216 330282819 /nfs/dbraw/zinc/28/28/19/330282819.db2.gz UFCGNJKYOUMAGG-ZDUSSCGKSA-N 1 1 286.366 3.207 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000120421020 330388623 /nfs/dbraw/zinc/38/86/23/330388623.db2.gz ZHVFXBQKYCKMTK-HOCLYGCPSA-N 1 1 295.810 3.120 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000424587899 330391518 /nfs/dbraw/zinc/39/15/18/330391518.db2.gz HVRGOPMABLFAPS-GASCZTMLSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CC[N@@H+](C)[C@H](C)C(=O)Nc1c(CC)cccc1CC ZINC000121237287 330398309 /nfs/dbraw/zinc/39/83/09/330398309.db2.gz CZBRKCCQIIXLPO-CYBMUJFWSA-N 1 1 274.408 3.256 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)C(=O)Nc1c(CC)cccc1CC ZINC000121237287 330398310 /nfs/dbraw/zinc/39/83/10/330398310.db2.gz CZBRKCCQIIXLPO-CYBMUJFWSA-N 1 1 274.408 3.256 20 30 CGEDMO C=C[C@@H]1CCCCN1C[C@H]1CCCC[N@@H+]1C(C)C ZINC000450883252 331004630 /nfs/dbraw/zinc/00/46/30/331004630.db2.gz PJTQHZIXLYDGQO-HZPDHXFCSA-N 1 1 250.430 3.290 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1C[C@H]1CCCCN1C(C)C ZINC000450883252 331004631 /nfs/dbraw/zinc/00/46/31/331004631.db2.gz PJTQHZIXLYDGQO-HZPDHXFCSA-N 1 1 250.430 3.290 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCCN1C(C)C ZINC000450883252 331004632 /nfs/dbraw/zinc/00/46/32/331004632.db2.gz PJTQHZIXLYDGQO-HZPDHXFCSA-N 1 1 250.430 3.290 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)CC1(C(=O)OC)CC1 ZINC000450888267 331004869 /nfs/dbraw/zinc/00/48/69/331004869.db2.gz LDNBUMBUHHBVFO-UHFFFAOYSA-N 1 1 273.376 3.018 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543502 331033393 /nfs/dbraw/zinc/03/33/93/331033393.db2.gz CCJAFBURAKGRGZ-HNNXBMFYSA-N 1 1 272.348 3.188 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000451554481 331034246 /nfs/dbraw/zinc/03/42/46/331034246.db2.gz ZZCTUBSJIHNHPA-FRFSOERESA-N 1 1 299.374 3.466 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000451632533 331037347 /nfs/dbraw/zinc/03/73/47/331037347.db2.gz XXUBUJHNISNDMH-CABCVRRESA-N 1 1 276.424 3.207 20 30 CGEDMO CO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(CC#N)cc2)C12CCC2 ZINC000451845681 331044519 /nfs/dbraw/zinc/04/45/19/331044519.db2.gz IUTRHYJPKCLANG-IRXDYDNUSA-N 1 1 284.403 3.142 20 30 CGEDMO C=CCC1(C(=O)N[C@H](C)C[N@H+](C)C(C)C)CCCCC1 ZINC000451865401 331045409 /nfs/dbraw/zinc/04/54/09/331045409.db2.gz KLSJELHMRRSTKV-OAHLLOKOSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000451972005 331049037 /nfs/dbraw/zinc/04/90/37/331049037.db2.gz NUULLHZNNUHYEF-OAHLLOKOSA-N 1 1 267.319 3.304 20 30 CGEDMO C[C@H]1CCC(C)(C)[N@H+]1CCCC1(C#N)CCOCC1 ZINC000452005403 331049987 /nfs/dbraw/zinc/04/99/87/331049987.db2.gz JTOGNDOUKQHJSU-AWEZNQCLSA-N 1 1 264.413 3.350 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459769237 331299735 /nfs/dbraw/zinc/29/97/35/331299735.db2.gz BMIMTXWGLIUTGD-JKSUJKDBSA-N 1 1 278.440 3.189 20 30 CGEDMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)CCCSCC#N ZINC000459778204 331300543 /nfs/dbraw/zinc/30/05/43/331300543.db2.gz ZIUGROXSBCSHSO-ZDUSSCGKSA-N 1 1 280.412 3.335 20 30 CGEDMO CC#CCC[N@@H+]1CCc2cccc(Br)c2C1 ZINC000462322951 331319525 /nfs/dbraw/zinc/31/95/25/331319525.db2.gz AXGXKYCZRMISAO-UHFFFAOYSA-N 1 1 278.193 3.221 20 30 CGEDMO CC#CCC[N@H+]1CCc2cccc(Br)c2C1 ZINC000462322951 331319526 /nfs/dbraw/zinc/31/95/26/331319526.db2.gz AXGXKYCZRMISAO-UHFFFAOYSA-N 1 1 278.193 3.221 20 30 CGEDMO CC#CCC[N@@H+](CCc1ccc(C)cc1)C[C@H]1CCCO1 ZINC000462324214 331319818 /nfs/dbraw/zinc/31/98/18/331319818.db2.gz FCLMWAAEMPCHNS-LJQANCHMSA-N 1 1 285.431 3.432 20 30 CGEDMO C#C[C@H]([NH2+]Cc1ncc(Br)s1)C(C)(C)C ZINC000309077199 332935482 /nfs/dbraw/zinc/93/54/82/332935482.db2.gz LXCTUKVXHLRYIF-QMMMGPOBSA-N 1 1 287.226 3.043 20 30 CGEDMO N#CCC[N@@H+](Cc1cc2ccc(F)cc2[nH]1)CC1CC1 ZINC000488327912 332000024 /nfs/dbraw/zinc/00/00/24/332000024.db2.gz FFRVKZULIMEBNA-UHFFFAOYSA-N 1 1 271.339 3.433 20 30 CGEDMO N#CCC[N@H+](Cc1cc2ccc(F)cc2[nH]1)CC1CC1 ZINC000488327912 332000025 /nfs/dbraw/zinc/00/00/25/332000025.db2.gz FFRVKZULIMEBNA-UHFFFAOYSA-N 1 1 271.339 3.433 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CCOCCOc1ccccc1 ZINC000489432607 332051758 /nfs/dbraw/zinc/05/17/58/332051758.db2.gz STEWVOQZJKJWHG-INIZCTEOSA-N 1 1 275.392 3.123 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CCC(=O)N1CCc2ccccc21 ZINC000489442835 332052735 /nfs/dbraw/zinc/05/27/35/332052735.db2.gz BJYXQAYLTUEVQH-INIZCTEOSA-N 1 1 284.403 3.006 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000489494357 332056416 /nfs/dbraw/zinc/05/64/16/332056416.db2.gz HPPPKAVMALMELZ-INIZCTEOSA-N 1 1 267.376 3.413 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000489496843 332056577 /nfs/dbraw/zinc/05/65/77/332056577.db2.gz MDCNMZTTYPUKGD-CYBMUJFWSA-N 1 1 276.336 3.014 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1C[C@@H](c2ccc(C)cc2)C[C@@H]1C ZINC000490077154 332080430 /nfs/dbraw/zinc/08/04/30/332080430.db2.gz QCOKOGOKEWPNON-SZMVWBNQSA-N 1 1 273.420 3.500 20 30 CGEDMO C#CC[N@H+](Cc1cnc([C@@H]2CCCO2)s1)C1CCCC1 ZINC000490913191 332128478 /nfs/dbraw/zinc/12/84/78/332128478.db2.gz CHVPTBBUXDPCHR-HNNXBMFYSA-N 1 1 290.432 3.372 20 30 CGEDMO C#CC[N@@H+](Cc1cnc([C@@H]2CCCO2)s1)C1CCCC1 ZINC000490913191 332128480 /nfs/dbraw/zinc/12/84/80/332128480.db2.gz CHVPTBBUXDPCHR-HNNXBMFYSA-N 1 1 290.432 3.372 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)C[C@@H]1CCO[C@@H](C)C1 ZINC000491069875 332145549 /nfs/dbraw/zinc/14/55/49/332145549.db2.gz YTNZRTXYCXANPR-DOTOQJQBSA-N 1 1 259.393 3.490 20 30 CGEDMO C#CC[N@H+](CC1CCC(=O)CC1)[C@H]1CCc2ccccc21 ZINC000491294293 332182922 /nfs/dbraw/zinc/18/29/22/332182922.db2.gz AUWKVHIAXXUTAC-IBGZPJMESA-N 1 1 281.399 3.368 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000172174399 335096566 /nfs/dbraw/zinc/09/65/66/335096566.db2.gz GNWASLHZXXCCKA-OAHLLOKOSA-N 1 1 272.392 3.303 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cnn(Cc2ccccc2)c1 ZINC000172237725 335098544 /nfs/dbraw/zinc/09/85/44/335098544.db2.gz BZKGWNZKBGRASE-UHFFFAOYSA-N 1 1 269.392 3.329 20 30 CGEDMO CCCOc1ccc(OCC[N@H+](CC)C[C@@H](C)C#N)cc1 ZINC000513415135 333018095 /nfs/dbraw/zinc/01/80/95/333018095.db2.gz IBLLJBRSFZLSAV-HNNXBMFYSA-N 1 1 290.407 3.336 20 30 CGEDMO CCCOc1ccc(OCC[N@@H+](CC)C[C@@H](C)C#N)cc1 ZINC000513415135 333018096 /nfs/dbraw/zinc/01/80/96/333018096.db2.gz IBLLJBRSFZLSAV-HNNXBMFYSA-N 1 1 290.407 3.336 20 30 CGEDMO C=CCNC(=O)C[N@H+](C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000175434749 333024828 /nfs/dbraw/zinc/02/48/28/333024828.db2.gz TWGFTBXOTPJOKL-QWHCGFSZSA-N 1 1 294.826 3.066 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+](CC(C)C)C1CCCC1 ZINC000521197541 333114624 /nfs/dbraw/zinc/11/46/24/333114624.db2.gz QCOVOGBZYGKKAD-UHFFFAOYSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](CCC)CCc1cccs1 ZINC000184514279 333129586 /nfs/dbraw/zinc/12/95/86/333129586.db2.gz YQKGBRIRSNIBMB-CQSZACIVSA-N 1 1 267.438 3.330 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000185329674 333138652 /nfs/dbraw/zinc/13/86/52/333138652.db2.gz SSOLIRRLSUVPKH-STQMWFEESA-N 1 1 281.346 3.081 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000185329689 333138684 /nfs/dbraw/zinc/13/86/84/333138684.db2.gz SSOLIRRLSUVPKH-QWHCGFSZSA-N 1 1 281.346 3.081 20 30 CGEDMO C=CCCC[N@@H+](C)[C@@H](C)c1nnnn1C1CCCCC1 ZINC000189360502 333191023 /nfs/dbraw/zinc/19/10/23/333191023.db2.gz QMKUEGGXZHJOJK-ZDUSSCGKSA-N 1 1 277.416 3.137 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)c1nnnn1C1CCCCC1 ZINC000189360502 333191025 /nfs/dbraw/zinc/19/10/25/333191025.db2.gz QMKUEGGXZHJOJK-ZDUSSCGKSA-N 1 1 277.416 3.137 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000523760337 333344428 /nfs/dbraw/zinc/34/44/28/333344428.db2.gz QDLNEQVRXDFMHL-WMZOPIPTSA-N 1 1 298.430 3.065 20 30 CGEDMO C=CCOCC[N@H+](C)Cc1cccc(Br)c1 ZINC000338928097 335137205 /nfs/dbraw/zinc/13/72/05/335137205.db2.gz ZGBJNQCFIAWBKU-UHFFFAOYSA-N 1 1 284.197 3.084 20 30 CGEDMO CC(C)c1nc(C[NH+]2CCC(CC#N)CC2)cs1 ZINC000541952002 333803870 /nfs/dbraw/zinc/80/38/70/333803870.db2.gz KJDBYQGBQHPJML-UHFFFAOYSA-N 1 1 263.410 3.392 20 30 CGEDMO C=CC[C@H](CC)NC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000546659241 334044170 /nfs/dbraw/zinc/04/41/70/334044170.db2.gz YSCQNDQWUPNMHO-INIZCTEOSA-N 1 1 295.471 3.103 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)Nc1ccc(CC)cc1 ZINC000076736249 334088139 /nfs/dbraw/zinc/08/81/39/334088139.db2.gz VGZDFTWZPVNVPP-UHFFFAOYSA-N 1 1 260.381 3.086 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCOC(C)(C)C1 ZINC000135125168 334116765 /nfs/dbraw/zinc/11/67/65/334116765.db2.gz DQOHJTZGWKIIKD-UHFFFAOYSA-N 1 1 272.392 3.099 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCOC(C)(C)C1 ZINC000135125168 334116766 /nfs/dbraw/zinc/11/67/66/334116766.db2.gz DQOHJTZGWKIIKD-UHFFFAOYSA-N 1 1 272.392 3.099 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CC(C)(C)O1 ZINC000135145736 334117842 /nfs/dbraw/zinc/11/78/42/334117842.db2.gz QJIWIMQVKZCBMF-CQSZACIVSA-N 1 1 286.419 3.487 20 30 CGEDMO C=CCOCC[N@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000549861071 334206653 /nfs/dbraw/zinc/20/66/53/334206653.db2.gz XCCKILGGUURJKL-NVXWUHKLSA-N 1 1 259.393 3.315 20 30 CGEDMO N#CCCOCC[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000549864707 334207336 /nfs/dbraw/zinc/20/73/36/334207336.db2.gz GZAWUKFAHYXQRL-AWEZNQCLSA-N 1 1 264.756 3.017 20 30 CGEDMO N#CCCOCC[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000549864707 334207337 /nfs/dbraw/zinc/20/73/37/334207337.db2.gz GZAWUKFAHYXQRL-AWEZNQCLSA-N 1 1 264.756 3.017 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000550961829 334234950 /nfs/dbraw/zinc/23/49/50/334234950.db2.gz MLZBYBQXRIJJQL-HNNXBMFYSA-N 1 1 288.435 3.225 20 30 CGEDMO C=CCC(C)(C)C[NH2+][C@@H]1CCN(CCCOCC)C[C@@H]1C ZINC000551241897 334242609 /nfs/dbraw/zinc/24/26/09/334242609.db2.gz XHMLNSCQRYAPHM-DLBZAZTESA-N 1 1 296.499 3.315 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000249032371 334325152 /nfs/dbraw/zinc/32/51/52/334325152.db2.gz SSOLIRRLSUVPKH-OLZOCXBDSA-N 1 1 281.346 3.081 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CC[C@H](C)[C@H](OC)C2)c1 ZINC000249242244 334330571 /nfs/dbraw/zinc/33/05/71/334330571.db2.gz WSTDKMSAXFVFSM-WMLDXEAASA-N 1 1 275.392 3.108 20 30 CGEDMO CC[C@@H](C)C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)C(=O)OC ZINC000568393262 334822406 /nfs/dbraw/zinc/82/24/06/334822406.db2.gz NIGLXLNGTCGWNM-ILTLLKDXSA-N 1 1 280.412 3.026 20 30 CGEDMO C[C@H](COc1ccc(C(C)(C)C)cc1)[NH2+]CCC#N ZINC000577055096 335291924 /nfs/dbraw/zinc/29/19/24/335291924.db2.gz HSARTTUSLJVKSA-CYBMUJFWSA-N 1 1 260.381 3.255 20 30 CGEDMO C=CCCCC[N@H+](CCOC)Cc1scnc1C ZINC000580619336 335303661 /nfs/dbraw/zinc/30/36/61/335303661.db2.gz XWPJSZNJXNQMTC-UHFFFAOYSA-N 1 1 268.426 3.256 20 30 CGEDMO Cc1cnc(CC[N@H+](C)Cc2ccc(C#N)cc2)c(C)c1 ZINC000580644560 335310130 /nfs/dbraw/zinc/31/01/30/335310130.db2.gz TZGQLOVGJSULJB-UHFFFAOYSA-N 1 1 279.387 3.245 20 30 CGEDMO CCC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C(C)C ZINC000580657163 335314295 /nfs/dbraw/zinc/31/42/95/335314295.db2.gz KRCRSKJKJGYNQV-UHFFFAOYSA-N 1 1 284.363 3.229 20 30 CGEDMO CCc1ccc([C@@H](COC)[NH2+]Cc2cc(C#N)cs2)o1 ZINC000177705817 335380207 /nfs/dbraw/zinc/38/02/07/335380207.db2.gz HANSPISQLLRPRU-CQSZACIVSA-N 1 1 290.388 3.252 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+][C@H]1CCCOc2c(F)cccc21 ZINC000581127324 336011921 /nfs/dbraw/zinc/01/19/21/336011921.db2.gz ZHDSZNSUNUECQQ-WFASDCNBSA-N 1 1 287.338 3.073 20 30 CGEDMO Cc1nc(NCC[C@H]2CCC[N@H+](C)C2)c(Cl)cc1C#N ZINC000413443096 534489976 /nfs/dbraw/zinc/48/99/76/534489976.db2.gz QZDQSRVERJCKSX-GFCCVEGCSA-N 1 1 292.814 3.059 20 30 CGEDMO C[C@@H](CCN[C@@H](C)c1cccc(C#N)c1)[NH+]1CCCCC1 ZINC000184505484 524501068 /nfs/dbraw/zinc/50/10/68/524501068.db2.gz CODLVHWZFUSXDM-HOTGVXAUSA-N 1 1 285.435 3.473 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000088704557 524654178 /nfs/dbraw/zinc/65/41/78/524654178.db2.gz FUFZWVSNAKXJEV-KGLIPLIRSA-N 1 1 285.391 3.007 20 30 CGEDMO C=CC[N@@H+](CCC(=O)Nc1ccccc1)CCc1ccco1 ZINC000352700007 526273497 /nfs/dbraw/zinc/27/34/97/526273497.db2.gz JSNJQXCVWJRIAU-UHFFFAOYSA-N 1 1 298.386 3.339 20 30 CGEDMO C=CCN(CCc1ccco1)CC[C@H]1CCCC[N@@H+]1C ZINC000352699700 526326124 /nfs/dbraw/zinc/32/61/24/526326124.db2.gz CMDHUWJAPCUFPE-MRXNPFEDSA-N 1 1 276.424 3.185 20 30 CGEDMO C=CC[NH2+][C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000344698930 526677280 /nfs/dbraw/zinc/67/72/80/526677280.db2.gz JCXRVVDEQIGUTP-SNVBAGLBSA-N 1 1 261.300 3.021 20 30 CGEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000103470285 526734272 /nfs/dbraw/zinc/73/42/72/526734272.db2.gz RQOBCECAUCBRMV-GOSISDBHSA-N 1 1 292.382 3.182 20 30 CGEDMO C=CCOCCC[N@H+]1CCC[C@@H]1c1cccs1 ZINC000347967519 526754514 /nfs/dbraw/zinc/75/45/14/526754514.db2.gz ISZVPGFEBRTHPB-CYBMUJFWSA-N 1 1 251.395 3.478 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC23CCC3)cc1OC ZINC000353646091 526865682 /nfs/dbraw/zinc/86/56/82/526865682.db2.gz IAFPCLTZUNKCFJ-UHFFFAOYSA-N 1 1 273.376 3.388 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](C)Cc2ccoc2)c1 ZINC000352655442 526896082 /nfs/dbraw/zinc/89/60/82/526896082.db2.gz SBXMEOJJHLEKPG-UHFFFAOYSA-N 1 1 257.333 3.476 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCOC(C)(C)[C@@H]2C)c1 ZINC000353881209 526899342 /nfs/dbraw/zinc/89/93/42/526899342.db2.gz KVYPOAGOZDNAOD-AWEZNQCLSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)c1 ZINC000352741527 526901220 /nfs/dbraw/zinc/90/12/20/526901220.db2.gz HFDHPZOQBQCCIX-CQSZACIVSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+](C)CCc1ccncc1 ZINC000350389984 526930248 /nfs/dbraw/zinc/93/02/48/526930248.db2.gz JMWGAOMUDLRLQA-UHFFFAOYSA-N 1 1 282.387 3.321 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H]1CCN(c2ccccc2)C1=O ZINC000344595124 527195958 /nfs/dbraw/zinc/19/59/58/527195958.db2.gz YGVSSIXOVCQRLT-INIZCTEOSA-N 1 1 272.392 3.080 20 30 CGEDMO C=CCC[C@H](NC[C@@H]1CCC[N@H+]1CC)c1ccco1 ZINC000353443998 527484999 /nfs/dbraw/zinc/48/49/99/527484999.db2.gz FEBQCSOXNZMCOB-GJZGRUSLSA-N 1 1 262.397 3.361 20 30 CGEDMO C=CCC[C@H](NC[C@@H]1CCC[N@@H+]1CC)c1ccco1 ZINC000353443998 527485005 /nfs/dbraw/zinc/48/50/05/527485005.db2.gz FEBQCSOXNZMCOB-GJZGRUSLSA-N 1 1 262.397 3.361 20 30 CGEDMO CC[N@H+]1CC[C@H](N(C)Cc2cccc(F)c2C#N)C[C@@H]1C ZINC000428243969 527835037 /nfs/dbraw/zinc/83/50/37/527835037.db2.gz XNASUHDJMYYQJY-ZFWWWQNUSA-N 1 1 289.398 3.002 20 30 CGEDMO CCC[N@@H+](CC)CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000358585099 527979054 /nfs/dbraw/zinc/97/90/54/527979054.db2.gz IPONPZJTZHUIBN-ZDUSSCGKSA-N 1 1 277.387 3.080 20 30 CGEDMO CC[N@@H+](CCCC(C)(C)C#N)CC(=O)N1CCCCCC1 ZINC000353195272 528431096 /nfs/dbraw/zinc/43/10/96/528431096.db2.gz CTDNHIJLWMOUAY-UHFFFAOYSA-N 1 1 293.455 3.041 20 30 CGEDMO CC[N@@H+](CCOc1cccc(C#N)c1)Cc1occc1C ZINC000412025504 528573882 /nfs/dbraw/zinc/57/38/82/528573882.db2.gz IUOIQALGNIEVNU-UHFFFAOYSA-N 1 1 284.359 3.361 20 30 CGEDMO CC[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)[C@H](C)CO ZINC000411745084 528770897 /nfs/dbraw/zinc/77/08/97/528770897.db2.gz NZRMWENSWAEUKY-OAHLLOKOSA-N 1 1 294.398 3.428 20 30 CGEDMO CC(C)[N@@H+](CCOCC1CC1)Cc1ccc(C#N)cc1 ZINC000159768686 528910508 /nfs/dbraw/zinc/91/05/08/528910508.db2.gz XIOFIZFLRDTOGH-UHFFFAOYSA-N 1 1 272.392 3.195 20 30 CGEDMO CC[C@H](C[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1)OC ZINC000412977316 529334641 /nfs/dbraw/zinc/33/46/41/529334641.db2.gz LVWDIYJYAPDVAU-CZUORRHYSA-N 1 1 260.381 3.366 20 30 CGEDMO CCCCCCCC[N@@H+](C)CCc1noc(C)n1 ZINC000740875782 571890762 /nfs/dbraw/zinc/89/07/62/571890762.db2.gz IVFKHDREXXNVQM-UHFFFAOYSA-N 1 1 253.390 3.213 20 30 CGEDMO CSc1ccc(C[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000352857356 571892466 /nfs/dbraw/zinc/89/24/66/571892466.db2.gz YRQGOIOOTWILSZ-UHFFFAOYSA-N 1 1 275.402 3.026 20 30 CGEDMO C#CC[N@@H+](CCCCCn1cccn1)C1CCCCC1 ZINC000729473659 571920339 /nfs/dbraw/zinc/92/03/39/571920339.db2.gz QBTMAVMVEPSCLQ-UHFFFAOYSA-N 1 1 273.424 3.321 20 30 CGEDMO C=CCCCCCN(C)C(=S)NC[C@@H]1CCC[N@@H+]1CC ZINC000739457761 572417908 /nfs/dbraw/zinc/41/79/08/572417908.db2.gz KTQWGLRTNRXLTC-HNNXBMFYSA-N 1 1 297.512 3.023 20 30 CGEDMO COc1cccc(N[NH+]=C(C)c2ccc(N)cc2)c1 ZINC000725853699 572445940 /nfs/dbraw/zinc/44/59/40/572445940.db2.gz RPGSTEGVIZKAHF-UHFFFAOYSA-N 1 1 255.321 3.114 20 30 CGEDMO CCCCCCCC[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC000740873880 572463814 /nfs/dbraw/zinc/46/38/14/572463814.db2.gz KZXLBSLJNRUYRW-UHFFFAOYSA-N 1 1 292.423 3.398 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000740874773 572463882 /nfs/dbraw/zinc/46/38/82/572463882.db2.gz HYRQKKMYFDYPOB-MRXNPFEDSA-N 1 1 280.456 3.195 20 30 CGEDMO CCCCCCCC[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000740877251 572464842 /nfs/dbraw/zinc/46/48/42/572464842.db2.gz IVFXUMPGTHAMCE-INIZCTEOSA-N 1 1 280.456 3.434 20 30 CGEDMO C[C@@H]1C[C@@H](/N=C\c2c(O)ccc3ccccc32)CC[N@H+]1C ZINC000741463320 572499482 /nfs/dbraw/zinc/49/94/82/572499482.db2.gz DCHNZJHDLANYMT-CNANTTMZSA-N 1 1 282.387 3.447 20 30 CGEDMO C=CC[N@@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000741777271 572526028 /nfs/dbraw/zinc/52/60/28/572526028.db2.gz LFMSRZPVGBHIPP-CQSZACIVSA-N 1 1 282.428 3.140 20 30 CGEDMO CC(C)[N@@H+](CCC#N)Cc1c(O)ccc2ccncc21 ZINC000739841726 572586929 /nfs/dbraw/zinc/58/69/29/572586929.db2.gz PHMPTHYZXDKVLN-UHFFFAOYSA-N 1 1 269.348 3.064 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCC1=NNC1CCCC1 ZINC000734365626 572648822 /nfs/dbraw/zinc/64/88/22/572648822.db2.gz NTFSNLHVABEXQO-OAHLLOKOSA-N 1 1 285.435 3.417 20 30 CGEDMO C#CC[N@H+](Cc1cc(C(=O)OC)oc1C)C1CCCCC1 ZINC000747452801 572929609 /nfs/dbraw/zinc/92/96/09/572929609.db2.gz ORJHMARTJYMSBX-UHFFFAOYSA-N 1 1 289.375 3.143 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)CC2CC(C)C2)C1 ZINC000972073331 613242997 /nfs/dbraw/zinc/24/29/97/613242997.db2.gz QDSWIRUWJIKOQE-GPANFISMSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)C[C@H]2CCC[C@@H]2C)CC1 ZINC000981226221 613252643 /nfs/dbraw/zinc/25/26/43/613252643.db2.gz AVFGKWACIGOJEW-DLBZAZTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC000981600099 613253694 /nfs/dbraw/zinc/25/36/94/613253694.db2.gz NMPSAUIFMPRQRM-HZPDHXFCSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)[C@H]2CCCC2(C)C)CC1 ZINC000981783316 613254510 /nfs/dbraw/zinc/25/45/10/613254510.db2.gz HZAIZFWVZJFOFP-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccsc2)C1 ZINC000964933859 613264491 /nfs/dbraw/zinc/26/44/91/613264491.db2.gz IZYXOGJWLJGNTC-UKRRQHHQSA-N 1 1 292.448 3.155 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)(C)C2CC2)C1 ZINC000967917329 613264633 /nfs/dbraw/zinc/26/46/33/613264633.db2.gz GSUFLOOKMLZKGT-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2CCCC2)C[C@@H]1C ZINC000946972033 613265872 /nfs/dbraw/zinc/26/58/72/613265872.db2.gz VJTIVDNTENDHFF-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)C2CCCCC2)C(C)(C)C1 ZINC000972762559 613276610 /nfs/dbraw/zinc/27/66/10/613276610.db2.gz FQANRQQKNWAKQD-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)CC)CC[C@@H]2C1 ZINC000946490121 613278369 /nfs/dbraw/zinc/27/83/69/613278369.db2.gz MDFNXZBOFUJSPL-ZACQAIPSSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)C2CCCC2)C1 ZINC000971692665 613282597 /nfs/dbraw/zinc/28/25/97/613282597.db2.gz DWMHABCZKACARA-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2occc2C(C)C)C1 ZINC000972158491 613287774 /nfs/dbraw/zinc/28/77/74/613287774.db2.gz OCANXXHAXIQYKO-CQSZACIVSA-N 1 1 290.407 3.125 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)c1ccsc1 ZINC000968744168 613307084 /nfs/dbraw/zinc/30/70/84/613307084.db2.gz FKVALRDWMZBOOT-HNNXBMFYSA-N 1 1 292.448 3.299 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@H]2CCC)CC1 ZINC000981503528 613310731 /nfs/dbraw/zinc/31/07/31/613310731.db2.gz NRPIUYDPFFEGPR-SJORKVTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC23CCC3)CC1 ZINC000948816900 613313836 /nfs/dbraw/zinc/31/38/36/613313836.db2.gz PKLUJAGOCFGMSB-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)c2occc2C)CC1 ZINC000948192624 613314310 /nfs/dbraw/zinc/31/43/10/613314310.db2.gz UZKNBOIKWXUTAD-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C=C(C)C)C1 ZINC000963249004 613314632 /nfs/dbraw/zinc/31/46/32/613314632.db2.gz FWNBUDVMKYKRJS-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)C2CC(C)(C)C2)CC1 ZINC000948348613 613314758 /nfs/dbraw/zinc/31/47/58/613314758.db2.gz DZJBHWFXUHVORT-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2CCC2)C1 ZINC000963247836 613315336 /nfs/dbraw/zinc/31/53/36/613315336.db2.gz PPYQMTLRZZSHCO-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C2(F)CCCCC2)C1 ZINC000968507007 613323696 /nfs/dbraw/zinc/32/36/96/613323696.db2.gz YPNDVUWXMCKVIR-CABCVRRESA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2C)C1 ZINC000964777704 613324314 /nfs/dbraw/zinc/32/43/14/613324314.db2.gz XEUAHYFNUOUSHO-WBVHZDCISA-N 1 1 286.419 3.011 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000961261502 613331992 /nfs/dbraw/zinc/33/19/92/613331992.db2.gz ARFQUUMNRNXYFO-HZPDHXFCSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccccc2C)C1 ZINC000964777702 613332927 /nfs/dbraw/zinc/33/29/27/613332927.db2.gz XEUAHYFNUOUSHO-RDJZCZTQSA-N 1 1 286.419 3.011 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccoc2CC)C[C@@H]1C ZINC000947265125 613336463 /nfs/dbraw/zinc/33/64/63/613336463.db2.gz DGMNLMDRPONBDD-KBPBESRZSA-N 1 1 290.407 3.001 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(CC)CC)C1 ZINC000980440680 613368007 /nfs/dbraw/zinc/36/80/07/613368007.db2.gz RXTUFCYONDZMFA-CYBMUJFWSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)C(C)(CC)CC)C1 ZINC000980440680 613368008 /nfs/dbraw/zinc/36/80/08/613368008.db2.gz RXTUFCYONDZMFA-CYBMUJFWSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](CC=C(C)C)[C@@H](C)C2)C1 ZINC000947702152 613397268 /nfs/dbraw/zinc/39/72/68/613397268.db2.gz KCPSCWBRBPXMES-JKSUJKDBSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CC=C(C)C)C[C@H]2C)C1 ZINC000942607451 613400987 /nfs/dbraw/zinc/40/09/87/613400987.db2.gz FWUDVOIXQJGIJV-CVEARBPZSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]([N@@H+](C)CC2CCCCC2)C1 ZINC000972080446 613438345 /nfs/dbraw/zinc/43/83/45/613438345.db2.gz UFZRJJAPXUKWRH-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[N@H+](C[C@H](C)CC)CC1 ZINC000981887330 613473398 /nfs/dbraw/zinc/47/33/98/613473398.db2.gz AOPFVMFYPIPCON-WBVHZDCISA-N 1 1 280.456 3.169 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCC1 ZINC000960829898 613473792 /nfs/dbraw/zinc/47/37/92/613473792.db2.gz YIEWDYDSIXRSST-WMZOPIPTSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1C[C@]2(C)C[N@H+](CCC)C[C@]2(C)C1 ZINC000982523161 613476367 /nfs/dbraw/zinc/47/63/67/613476367.db2.gz UMUFXBBFIXYHMX-OKZBNKHCSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CCCC2(CN(C(=O)c3ccccc3C)C2)C1 ZINC000981595979 613489980 /nfs/dbraw/zinc/48/99/80/613489980.db2.gz XCXIOWCSTRWRCV-UHFFFAOYSA-N 1 1 298.430 3.109 20 30 CGEDMO C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC12CCC2 ZINC000969054172 613491123 /nfs/dbraw/zinc/49/11/23/613491123.db2.gz RFBQQIKNVVLFDN-JKSUJKDBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)c2ccc(CC)s2)CC1 ZINC000981569414 613497048 /nfs/dbraw/zinc/49/70/48/613497048.db2.gz JZFRCRYEDVGVDC-UHFFFAOYSA-N 1 1 292.448 3.035 20 30 CGEDMO C=CCC[N@H+]1CCCN(C(=O)c2ccc(C=C)cc2)CC1 ZINC000982007612 613497519 /nfs/dbraw/zinc/49/75/19/613497519.db2.gz GIUVMNGPQUPYOR-UHFFFAOYSA-N 1 1 284.403 3.054 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H](C)C2CCC2)CC1 ZINC000948541682 613500902 /nfs/dbraw/zinc/50/09/02/613500902.db2.gz ICLOAYUKYDFWAV-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)CC2CCCCC2)C1 ZINC000964770129 613517162 /nfs/dbraw/zinc/51/71/62/613517162.db2.gz IBDXRTJHJNDMQU-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)C2(F)CCCCC2)[C@H](C)C1 ZINC000943987089 613519451 /nfs/dbraw/zinc/51/94/51/613519451.db2.gz JHVKDBREZDICKJ-HUUCEWRRSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2c(C)coc2C)C[C@H]1C ZINC000947271464 613523090 /nfs/dbraw/zinc/52/30/90/613523090.db2.gz IZDLNGWOWHYQEX-UKRRQHHQSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C)c2)C[C@@H]1C ZINC000947022152 613524698 /nfs/dbraw/zinc/52/46/98/613524698.db2.gz RVLQDXHHGUFWFY-DOTOQJQBSA-N 1 1 286.419 3.154 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)C2CCC2)[C@@H](C)C1 ZINC000942535805 613533450 /nfs/dbraw/zinc/53/34/50/613533450.db2.gz ONEZYAVSQDMHBL-HOCLYGCPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C[C@@H]1C ZINC000947949744 613537078 /nfs/dbraw/zinc/53/70/78/613537078.db2.gz ZRGBEOCLVQBPMZ-QAETUUGQSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)cs2)C[C@@H]1C ZINC000947272862 613537457 /nfs/dbraw/zinc/53/74/57/613537457.db2.gz ZAPMRNWZKLLJAT-KBPBESRZSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](NC(=O)C=C2CCCCC2)C(C)(C)C1 ZINC000972846144 613543249 /nfs/dbraw/zinc/54/32/49/613543249.db2.gz OFRCTZDAEZMASZ-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC(C)C)C2)C1 ZINC000961120988 613543423 /nfs/dbraw/zinc/54/34/23/613543423.db2.gz WTYYSDSJOMYFOR-IRXDYDNUSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000961271313 613543631 /nfs/dbraw/zinc/54/36/31/613543631.db2.gz KOBSCBFNKJMJBJ-HOTGVXAUSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)C2(C3CC3)CCC2)CC1 ZINC000948652300 613700396 /nfs/dbraw/zinc/70/03/96/613700396.db2.gz OXVIHMQTXYSLMD-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(CC)CC)C1 ZINC000963252672 613703239 /nfs/dbraw/zinc/70/32/39/613703239.db2.gz XDJQSLPEKTWFBZ-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000963246670 613703277 /nfs/dbraw/zinc/70/32/77/613703277.db2.gz JFGHLEXRGJVRCK-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)CC2CCCCC2)C(C)(C)C1 ZINC000940554317 613742788 /nfs/dbraw/zinc/74/27/88/613742788.db2.gz QGWJLNOLEBYIOY-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C=C)cc2)C[C@H]1C ZINC000947736201 613752624 /nfs/dbraw/zinc/75/26/24/613752624.db2.gz VDDCKHQTXHIDPG-RHSMWYFYSA-N 1 1 284.403 3.098 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2(C)CCCCC2)C[C@@H]1C ZINC000947688954 613779735 /nfs/dbraw/zinc/77/97/35/613779735.db2.gz GGNOYGRTSSJAEN-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc(C)c3)C[C@H]2C1 ZINC000979482213 613820594 /nfs/dbraw/zinc/82/05/94/613820594.db2.gz VUSHNODQUCIEMV-BZSNNMDCSA-N 1 1 298.430 3.011 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC(c3[nH]c(C)c(C)[nH+]3)CC2)C1 ZINC000899514574 620705820 /nfs/dbraw/zinc/70/58/20/620705820.db2.gz RLXVDUWSGAWYDS-UHFFFAOYSA-N 1 1 287.407 3.089 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCC2CC2)C1 ZINC001021546096 618033208 /nfs/dbraw/zinc/03/32/08/618033208.db2.gz BSOJOLZKGAJJSF-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC2(C)CC2)C1 ZINC001021634122 618078228 /nfs/dbraw/zinc/07/82/28/618078228.db2.gz WZPGDHQSFCYODD-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[C@@H]1CCN1C(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000890549026 617633852 /nfs/dbraw/zinc/63/38/52/617633852.db2.gz FNDBZSWVAOMIGG-HUUCEWRRSA-N 1 1 292.810 3.120 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(Cc2ccc(OC)cc2)no1 ZINC000899999070 620743576 /nfs/dbraw/zinc/74/35/76/620743576.db2.gz JBFMNWLVDJYWIF-AWEZNQCLSA-N 1 1 287.363 3.025 20 30 CGEDMO CCN(CC)c1ccc(C=[NH+]OC/C=C/Cl)c(O)c1 ZINC000811669987 617701477 /nfs/dbraw/zinc/70/14/77/617701477.db2.gz LUPGJVAKFZSKDP-URNYPOLCSA-N 1 1 282.771 3.341 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccccc2)C1 ZINC001021505162 618014865 /nfs/dbraw/zinc/01/48/65/618014865.db2.gz IOGSWUMIHXBZQL-ROUUACIJSA-N 1 1 298.430 3.189 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC(C)C)C1 ZINC001021505114 618015192 /nfs/dbraw/zinc/01/51/92/618015192.db2.gz IMVQHIHJRUCHQI-LSDHHAIUSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC(C)C)C1 ZINC001021505114 618015199 /nfs/dbraw/zinc/01/51/99/618015199.db2.gz IMVQHIHJRUCHQI-LSDHHAIUSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)/C(C)=C/C)C1 ZINC001021555345 618039684 /nfs/dbraw/zinc/03/96/84/618039684.db2.gz UBWSIQMXTUJXAB-KTHYOXIYSA-N 1 1 290.451 3.232 20 30 CGEDMO CC(C)C[C@@H]1CCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000305086402 618050775 /nfs/dbraw/zinc/05/07/75/618050775.db2.gz ULMOHFHFZHVZQB-IRXDYDNUSA-N 1 1 272.392 3.102 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2cnsn2)CCCC1(C)C ZINC000846878586 618144315 /nfs/dbraw/zinc/14/43/15/618144315.db2.gz IFHOCJRJZBUVSW-GFCCVEGCSA-N 1 1 251.399 3.105 20 30 CGEDMO C=CC[C@H]1[N@H+](Cc2cnsn2)CCCC1(C)C ZINC000846878586 618144321 /nfs/dbraw/zinc/14/43/21/618144321.db2.gz IFHOCJRJZBUVSW-GFCCVEGCSA-N 1 1 251.399 3.105 20 30 CGEDMO C=CC1(CC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CCCCC1 ZINC000933447130 618233254 /nfs/dbraw/zinc/23/32/54/618233254.db2.gz UVPGYQZUNCEKHM-HZPDHXFCSA-N 1 1 292.467 3.454 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H]2c2ccccn2)cs1 ZINC000891631289 618243139 /nfs/dbraw/zinc/24/31/39/618243139.db2.gz USTHUSLNMHLJQL-OAHLLOKOSA-N 1 1 269.373 3.352 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]2c2ccccn2)cs1 ZINC000891631289 618243140 /nfs/dbraw/zinc/24/31/40/618243140.db2.gz USTHUSLNMHLJQL-OAHLLOKOSA-N 1 1 269.373 3.352 20 30 CGEDMO C[N@@H+](CCOc1ccc(C#N)cc1)Cc1cc(C#N)cs1 ZINC000933776280 618324701 /nfs/dbraw/zinc/32/47/01/618324701.db2.gz WWUZDDRRGNNPSX-UHFFFAOYSA-N 1 1 297.383 3.002 20 30 CGEDMO C=C1CC[NH+](Cc2ccc(C(F)(F)F)nc2N(C)C)CC1 ZINC000891943695 618400412 /nfs/dbraw/zinc/40/04/12/618400412.db2.gz USILQFJOAICYAL-UHFFFAOYSA-N 1 1 299.340 3.318 20 30 CGEDMO C[C@@H](NN=C1CCC[N@H+]2CCCC[C@H]12)C(C)(C)C ZINC000848409655 618496980 /nfs/dbraw/zinc/49/69/80/618496980.db2.gz CBRXMKQENKIUPP-TZMCWYRMSA-N 1 1 251.418 3.015 20 30 CGEDMO Cc1nc(N2CCC(C#N)CC2)cc(Nc2ccccc2)[nH+]1 ZINC000892137479 618554064 /nfs/dbraw/zinc/55/40/64/618554064.db2.gz ACQINTWRZBAYSR-UHFFFAOYSA-N 1 1 293.374 3.269 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1ccc(C)cc1C ZINC000934469602 618626648 /nfs/dbraw/zinc/62/66/48/618626648.db2.gz FTMNIPROADFXBH-CABCVRRESA-N 1 1 272.392 3.281 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1cc(-c2ccccc2)on1 ZINC000934471695 618627952 /nfs/dbraw/zinc/62/79/52/618627952.db2.gz LCEDHJJTWZOCJB-OAHLLOKOSA-N 1 1 254.333 3.492 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1cc(-c2ccccc2)on1 ZINC000934471695 618627953 /nfs/dbraw/zinc/62/79/53/618627953.db2.gz LCEDHJJTWZOCJB-OAHLLOKOSA-N 1 1 254.333 3.492 20 30 CGEDMO C[C@H](CC(C)(C)C#N)[NH2+][C@@H](C)c1c(F)cncc1F ZINC000926417750 618650541 /nfs/dbraw/zinc/65/05/41/618650541.db2.gz IAECXEXJGXEFNT-ZJUUUORDSA-N 1 1 267.323 3.339 20 30 CGEDMO C=CCCc1noc([C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000924085083 618919515 /nfs/dbraw/zinc/91/95/15/618919515.db2.gz ZXPSFEVLGKYDFX-ZBFHGGJFSA-N 1 1 297.402 3.424 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c1 ZINC000930867590 619085567 /nfs/dbraw/zinc/08/55/67/619085567.db2.gz RXJAZUKDCKNJIR-ZDUSSCGKSA-N 1 1 282.721 3.443 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](CCOc2ccc(F)c(Cl)c2)C1 ZINC000930923062 619092147 /nfs/dbraw/zinc/09/21/47/619092147.db2.gz GLHBETLOUYFRPG-LBPRGKRZSA-N 1 1 296.773 3.484 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CCC[N@@H+](C/C=C\Cl)C2)CC1 ZINC001008416906 619094158 /nfs/dbraw/zinc/09/41/58/619094158.db2.gz JMPQVWQWJZINLQ-ACRUDFBXSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+](C/C=C\Cl)C2)CC1 ZINC001008416906 619094160 /nfs/dbraw/zinc/09/41/60/619094160.db2.gz JMPQVWQWJZINLQ-ACRUDFBXSA-N 1 1 296.842 3.066 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)Cc2c[nH]nc21 ZINC000931464942 619172294 /nfs/dbraw/zinc/17/22/94/619172294.db2.gz CMEBCYMWDWBHKI-CYBMUJFWSA-N 1 1 272.396 3.193 20 30 CGEDMO C[N@H+](C[C@@H]1CCCC2(CCC2)O1)[C@H]1CCC[C@@H]1C#N ZINC000931476666 619181648 /nfs/dbraw/zinc/18/16/48/619181648.db2.gz QOUWRHNWYDRNHB-ILXRZTDVSA-N 1 1 262.397 3.102 20 30 CGEDMO C[N@@H+](C[C@@H]1CCCC2(CCC2)O1)[C@H]1CCC[C@@H]1C#N ZINC000931476666 619181649 /nfs/dbraw/zinc/18/16/49/619181649.db2.gz QOUWRHNWYDRNHB-ILXRZTDVSA-N 1 1 262.397 3.102 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001009612108 619182165 /nfs/dbraw/zinc/18/21/65/619182165.db2.gz PLURAHFLRCRYET-SFHVURJKSA-N 1 1 298.430 3.334 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CCCCC2(C)C)C1 ZINC001009768782 619204159 /nfs/dbraw/zinc/20/41/59/619204159.db2.gz PLPLUAOYGBTFPB-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccns1 ZINC000925925722 619334371 /nfs/dbraw/zinc/33/43/71/619334371.db2.gz GDGGHVVQEWOJJU-NSHDSACASA-N 1 1 269.373 3.355 20 30 CGEDMO COc1ccnc([C@H](C)[NH2+]C2(c3cccc(C#N)c3)CC2)c1 ZINC000925926798 619337044 /nfs/dbraw/zinc/33/70/44/619337044.db2.gz SLHHVTLGFWKCGJ-ZDUSSCGKSA-N 1 1 293.370 3.302 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H]2c2ccncc2)cs1 ZINC000894450699 619542232 /nfs/dbraw/zinc/54/22/32/619542232.db2.gz ZBDMMQYKPNYRBJ-OAHLLOKOSA-N 1 1 269.373 3.352 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]2c2ccncc2)cs1 ZINC000894450699 619542236 /nfs/dbraw/zinc/54/22/36/619542236.db2.gz ZBDMMQYKPNYRBJ-OAHLLOKOSA-N 1 1 269.373 3.352 20 30 CGEDMO COc1cccc(COc2ccc(C[NH2+]CCC#N)cc2)c1 ZINC000894579804 619580775 /nfs/dbraw/zinc/58/07/75/619580775.db2.gz OZGPHJRKEDDXOD-UHFFFAOYSA-N 1 1 296.370 3.277 20 30 CGEDMO CSc1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)o1 ZINC000895229895 619785964 /nfs/dbraw/zinc/78/59/64/619785964.db2.gz YVXGXQLSVQTDJS-LLVKDONJSA-N 1 1 250.367 3.127 20 30 CGEDMO CSc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)o1 ZINC000895229895 619785967 /nfs/dbraw/zinc/78/59/67/619785967.db2.gz YVXGXQLSVQTDJS-LLVKDONJSA-N 1 1 250.367 3.127 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2c(Cl)n[nH]c2C2CC2)C1 ZINC000895313279 619804294 /nfs/dbraw/zinc/80/42/94/619804294.db2.gz DVZVOPXOUWLPMM-SNVBAGLBSA-N 1 1 278.787 3.066 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2c(Cl)n[nH]c2C2CC2)C1 ZINC000895313279 619804297 /nfs/dbraw/zinc/80/42/97/619804297.db2.gz DVZVOPXOUWLPMM-SNVBAGLBSA-N 1 1 278.787 3.066 20 30 CGEDMO CC(C)([NH2+]Cc1nccn1C1CC1)c1cccc(C#N)c1 ZINC000895328655 619805616 /nfs/dbraw/zinc/80/56/16/619805616.db2.gz NMDFPUGZKFYBFT-UHFFFAOYSA-N 1 1 280.375 3.115 20 30 CGEDMO N#CCc1cccc2c1CC[N@@H+](Cc1ccc(O)c(F)c1)C2 ZINC000895668212 619868859 /nfs/dbraw/zinc/86/88/59/619868859.db2.gz YYZGCJSURXXBHP-UHFFFAOYSA-N 1 1 296.345 3.156 20 30 CGEDMO N#CCc1cccc2c1CC[N@H+](Cc1ccc(O)c(F)c1)C2 ZINC000895668212 619868863 /nfs/dbraw/zinc/86/88/63/619868863.db2.gz YYZGCJSURXXBHP-UHFFFAOYSA-N 1 1 296.345 3.156 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3CC[C@H]([C@H]4CCCO4)C3)cc2)CC1 ZINC000895842565 619892633 /nfs/dbraw/zinc/89/26/33/619892633.db2.gz HHGKBHBCQONGJM-FUHWJXTLSA-N 1 1 296.414 3.243 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)cc1 ZINC000895848211 619896928 /nfs/dbraw/zinc/89/69/28/619896928.db2.gz YHQSIOBHBDIXIV-AEFFLSMTSA-N 1 1 287.403 3.252 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)CC[C@@H](O)c1ccccc1 ZINC000795927917 620076019 /nfs/dbraw/zinc/07/60/19/620076019.db2.gz QPLXZDMYKPEDKW-QGZVFWFLSA-N 1 1 274.408 3.372 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)CC[C@@H](O)c1ccccc1 ZINC000795927917 620076021 /nfs/dbraw/zinc/07/60/21/620076021.db2.gz QPLXZDMYKPEDKW-QGZVFWFLSA-N 1 1 274.408 3.372 20 30 CGEDMO C#CC[N@H+](Cc1cnc(CC(F)(F)F)s1)C(C)C ZINC000897169755 620154951 /nfs/dbraw/zinc/15/49/51/620154951.db2.gz SGJOFBKPBISTJR-UHFFFAOYSA-N 1 1 276.327 3.092 20 30 CGEDMO C#CC[N@@H+](Cc1cnc(CC(F)(F)F)s1)C(C)C ZINC000897169755 620154956 /nfs/dbraw/zinc/15/49/56/620154956.db2.gz SGJOFBKPBISTJR-UHFFFAOYSA-N 1 1 276.327 3.092 20 30 CGEDMO C#CC[N@H+](CCc1ccc(OC)cc1)Cc1ccccc1 ZINC000303107249 620187483 /nfs/dbraw/zinc/18/74/83/620187483.db2.gz AHXXFICSTWCCEK-UHFFFAOYSA-N 1 1 279.383 3.373 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@@]2(C)C(C)C)CC1 ZINC000985724044 620232005 /nfs/dbraw/zinc/23/20/05/620232005.db2.gz BQLTTXNINHJSIQ-WMZOPIPTSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)C2CCC(C)(C)CC2)CC1 ZINC000985807142 620240647 /nfs/dbraw/zinc/24/06/47/620240647.db2.gz ATIVFYFHCQOVKI-UHFFFAOYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)C2(CC)CCCCC2)CC1 ZINC000985804589 620240843 /nfs/dbraw/zinc/24/08/43/620240843.db2.gz QPPAWHBMDDRFHN-UHFFFAOYSA-N 1 1 292.467 3.456 20 30 CGEDMO CCc1cccc(C)c1N=NC1CC[N@H+]2CCC[C@H]12 ZINC000799494086 620296296 /nfs/dbraw/zinc/29/62/96/620296296.db2.gz AXVNUSRPWQERKZ-OAHLLOKOSA-N 1 1 257.381 3.193 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1cccn(C(F)F)c1=O ZINC000898244587 620496593 /nfs/dbraw/zinc/49/65/93/620496593.db2.gz LXXWAAXWPVLGKG-UHFFFAOYSA-N 1 1 270.323 3.032 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)C[C@@H]2CCCC[C@H]2C)CC1 ZINC000989772746 620524490 /nfs/dbraw/zinc/52/44/90/620524490.db2.gz ISOFYEJCBAOCIY-SJORKVTESA-N 1 1 292.467 3.313 20 30 CGEDMO CC[C@H](N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(C#N)c1 ZINC000902747947 621424927 /nfs/dbraw/zinc/42/49/27/621424927.db2.gz JHMTUXRVZYAIEE-RCCFBDPRSA-N 1 1 283.419 3.226 20 30 CGEDMO CC[C@H]([NH2+][C@@H]1CCN2CCCC[C@H]12)c1cccc(C#N)c1 ZINC000902747947 621424934 /nfs/dbraw/zinc/42/49/34/621424934.db2.gz JHMTUXRVZYAIEE-RCCFBDPRSA-N 1 1 283.419 3.226 20 30 CGEDMO Cc1cccc(F)c1C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902822539 621456877 /nfs/dbraw/zinc/45/68/77/621456877.db2.gz XIMOVWOQYYRMSI-GFCCVEGCSA-N 1 1 269.323 3.252 20 30 CGEDMO C[C@@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1ccccc1[N+](=O)[O-] ZINC000902898137 621480766 /nfs/dbraw/zinc/48/07/66/621480766.db2.gz YCDCTFONCVJQFW-NEPJUHHUSA-N 1 1 296.330 3.273 20 30 CGEDMO COc1ccc2c(c1)[C@@H]([NH2+]CC1(C#N)CCC1)CCCO2 ZINC000903031140 621534970 /nfs/dbraw/zinc/53/49/70/621534970.db2.gz IXSVKCUYMWEZMS-HNNXBMFYSA-N 1 1 286.375 3.192 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CCC1)c1ccccc1N(C)C ZINC000903033476 621536768 /nfs/dbraw/zinc/53/67/68/621536768.db2.gz VANLBAXKYOUWCF-ZDUSSCGKSA-N 1 1 257.381 3.097 20 30 CGEDMO CC[C@H]([NH2+][C@@H](c1nncn1C)C(C)C)c1ccc(C#N)cc1 ZINC000903067247 621552634 /nfs/dbraw/zinc/55/26/34/621552634.db2.gz ZONDRQLNRKZQRP-JKSUJKDBSA-N 1 1 297.406 3.125 20 30 CGEDMO Cc1c([C@@H](C)[NH2+]CC(C)(C)C#N)cccc1[N+](=O)[O-] ZINC000903100472 621572950 /nfs/dbraw/zinc/57/29/50/621572950.db2.gz PMCMDHGIRNMEQZ-LLVKDONJSA-N 1 1 261.325 3.104 20 30 CGEDMO CC(C)[C@@H]([NH2+]CC1(C#N)CCCC1)c1ccccn1 ZINC000903110010 621584210 /nfs/dbraw/zinc/58/42/10/621584210.db2.gz YOSQUTODASDYKN-OAHLLOKOSA-N 1 1 257.381 3.452 20 30 CGEDMO C[C@H](NCC[N@H+]1CCC(C)(C)C1)c1ccc(C#N)cc1F ZINC000903344596 621698024 /nfs/dbraw/zinc/69/80/24/621698024.db2.gz QVOZYQREFFKIBF-ZDUSSCGKSA-N 1 1 289.398 3.080 20 30 CGEDMO C[C@H]([NH2+]CCN1CCC(C)(C)C1)c1ccc(C#N)cc1F ZINC000903344596 621698027 /nfs/dbraw/zinc/69/80/27/621698027.db2.gz QVOZYQREFFKIBF-ZDUSSCGKSA-N 1 1 289.398 3.080 20 30 CGEDMO C=CCC[C@H]([NH2+][C@H](CCN(C)C)c1cccnc1)C1CC1 ZINC000903378883 621721445 /nfs/dbraw/zinc/72/14/45/621721445.db2.gz FCBIQYNVMGBHQF-ZWKOTPCHSA-N 1 1 287.451 3.409 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(Cc2ccc(C)cc2)no1 ZINC000904537184 621931671 /nfs/dbraw/zinc/93/16/71/621931671.db2.gz DHQVQUOYTAGMDO-AWEZNQCLSA-N 1 1 271.364 3.325 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(Cc2cccc(C)c2)no1 ZINC000904539575 621933179 /nfs/dbraw/zinc/93/31/79/621933179.db2.gz QGRRKWPSHKSMKP-AWEZNQCLSA-N 1 1 271.364 3.325 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H](C)C3CCC3)CCC[C@H]12 ZINC000991360159 622570578 /nfs/dbraw/zinc/57/05/78/622570578.db2.gz MSAWKZSRZQIHNG-QILLFSRXSA-N 1 1 290.451 3.112 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000769963577 625580358 /nfs/dbraw/zinc/58/03/58/625580358.db2.gz WSWFSYVLIMECRH-SNVBAGLBSA-N 1 1 257.255 3.039 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(F)cc1O ZINC000062747683 623267254 /nfs/dbraw/zinc/26/72/54/623267254.db2.gz MXQXTZWLQDZRJU-LLVKDONJSA-N 1 1 270.307 3.254 20 30 CGEDMO CN(CC[N@@H+](C)CC1CCC(C#N)CC1)c1ccccc1 ZINC000929600234 623476822 /nfs/dbraw/zinc/47/68/22/623476822.db2.gz FLBXPKKWWZGGLW-UHFFFAOYSA-N 1 1 285.435 3.385 20 30 CGEDMO C[N@H+]1CCN(CC2CCC(C#N)CC2)C2(CCCCC2)C1 ZINC000929798366 623686399 /nfs/dbraw/zinc/68/63/99/623686399.db2.gz QVYNNAIJEPRTJD-UHFFFAOYSA-N 1 1 289.467 3.267 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccsc2)[C@H]1C ZINC000993051261 623806826 /nfs/dbraw/zinc/80/68/26/623806826.db2.gz HLUWBPVBXDXFGN-UKRRQHHQSA-N 1 1 292.448 3.297 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2oc(C)cc2C)[C@@H]1C ZINC000993143025 623866812 /nfs/dbraw/zinc/86/68/12/623866812.db2.gz GILSOMFGQNFBEF-GJZGRUSLSA-N 1 1 290.407 3.055 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)CC2CCC2)[C@@H]1C ZINC000993193577 623930982 /nfs/dbraw/zinc/93/09/82/623930982.db2.gz BCIIXZANWQTXEX-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO CC(=NOCC(F)(F)F)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000764835554 623951402 /nfs/dbraw/zinc/95/14/02/623951402.db2.gz LBRGQZRGCUXFMW-UHFFFAOYSA-N 1 1 297.280 3.484 20 30 CGEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NCc1csc(C#N)c1 ZINC000921589580 625693376 /nfs/dbraw/zinc/69/33/76/625693376.db2.gz MWWYHJUFTNQLMZ-MJBXVCDLSA-N 1 1 291.464 3.076 20 30 CGEDMO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]Cc1csc(C#N)c1 ZINC000921589580 625693381 /nfs/dbraw/zinc/69/33/81/625693381.db2.gz MWWYHJUFTNQLMZ-MJBXVCDLSA-N 1 1 291.464 3.076 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C(C)C)[C@H]1C ZINC000993408819 624043092 /nfs/dbraw/zinc/04/30/92/624043092.db2.gz FESQIJXXUWTLQL-CRAIPNDOSA-N 1 1 298.430 3.026 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC)s2)[C@@H]1C ZINC000993551278 624053416 /nfs/dbraw/zinc/05/34/16/624053416.db2.gz ATYRNRMOFNOYTO-GXTWGEPZSA-N 1 1 292.448 3.079 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C2(C)CCCC2)[C@@H]1C ZINC000993637829 624055357 /nfs/dbraw/zinc/05/53/57/624055357.db2.gz VCYYBKRJCYKMON-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2occc2C(C)C)[C@H]1C ZINC000993736324 624059754 /nfs/dbraw/zinc/05/97/54/624059754.db2.gz AZLHBEPUCSIBIC-HIFRSBDPSA-N 1 1 290.407 3.172 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2csc(Cl)c2)[C@@H]1C ZINC000993937131 624065574 /nfs/dbraw/zinc/06/55/74/624065574.db2.gz GUMPEBHSTWDSRG-JQWIXIFHSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C23CCC(CC2)CC3)[C@@H]1C ZINC000994447570 624227411 /nfs/dbraw/zinc/22/74/11/624227411.db2.gz AJSHQFMDJMSNCC-UERKLNTKSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](C(=O)NCCCCCC)C1 ZINC000154760871 624364441 /nfs/dbraw/zinc/36/44/41/624364441.db2.gz SYLPQFKHDDMHEN-AWEZNQCLSA-N 1 1 286.847 3.147 20 30 CGEDMO C#CCCCN1CC[N@@H+](CCCC#C)CC12CCCCC2 ZINC000766920051 624424682 /nfs/dbraw/zinc/42/46/82/624424682.db2.gz PZOOSCNNLRINCM-UHFFFAOYSA-N 1 1 286.463 3.134 20 30 CGEDMO C#CCCCN1CC[N@H+](CCCC#C)C2(CCCCC2)C1 ZINC000766920051 624424686 /nfs/dbraw/zinc/42/46/86/624424686.db2.gz PZOOSCNNLRINCM-UHFFFAOYSA-N 1 1 286.463 3.134 20 30 CGEDMO C#CCCCN1CC[N@@H+](CCCC#C)C2(CCCCC2)C1 ZINC000766920051 624424690 /nfs/dbraw/zinc/42/46/90/624424690.db2.gz PZOOSCNNLRINCM-UHFFFAOYSA-N 1 1 286.463 3.134 20 30 CGEDMO CCCCCCCCC[N@@H+](C)CN1CCOC1=S ZINC000921051974 624565371 /nfs/dbraw/zinc/56/53/71/624565371.db2.gz JMHPXMNYLJDWJK-UHFFFAOYSA-N 1 1 272.458 3.243 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](N(CC)C(=O)C2CCC2)CC1 ZINC000997904098 625764998 /nfs/dbraw/zinc/76/49/98/625764998.db2.gz ZODIPONLZLWGHW-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)c2ccccc2)CC1 ZINC000997909364 625767550 /nfs/dbraw/zinc/76/75/50/625767550.db2.gz QJXXOSYUPPOGID-SFHVURJKSA-N 1 1 298.430 3.027 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)c2occc2C)CC1 ZINC000997929940 625774433 /nfs/dbraw/zinc/77/44/33/625774433.db2.gz SVHVODALSBGGHT-HNNXBMFYSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C1CCC(C(=O)N(CC)[C@H]2CCC[N@@H+](CC)CC2)CC1 ZINC000998108978 625790686 /nfs/dbraw/zinc/79/06/86/625790686.db2.gz HYAMXTSVMQNOKM-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO N#Cc1ccc(C[NH+]2CCC(Oc3ccccc3)CC2)o1 ZINC000091681853 625889555 /nfs/dbraw/zinc/88/95/55/625889555.db2.gz GJZJVWUADGMZGL-UHFFFAOYSA-N 1 1 282.343 3.195 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@H](C)C2)CC1 ZINC001001111554 625890336 /nfs/dbraw/zinc/89/03/36/625890336.db2.gz RQYHRAXEGKUTPQ-DOTOQJQBSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C1CCC(C(=O)NCC2=CC[N@@H+](CCCC)CC2)CC1 ZINC001001116711 625890453 /nfs/dbraw/zinc/89/04/53/625890453.db2.gz FWAZYSKURJGGJX-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)C2CCC=CCC2)CC1 ZINC001001446724 625896925 /nfs/dbraw/zinc/89/69/25/625896925.db2.gz SZQURXSURATWOH-UHFFFAOYSA-N 1 1 288.435 3.057 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC001001814991 625902691 /nfs/dbraw/zinc/90/26/91/625902691.db2.gz VZSJJLQWQIIBAP-HUUCEWRRSA-N 1 1 298.858 3.003 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc([C@@H](C)CC)cc2)C1 ZINC001016344446 625967867 /nfs/dbraw/zinc/96/78/67/625967867.db2.gz CRALAQBBMHJMRQ-YJBOKZPZSA-N 1 1 298.430 3.028 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000922164605 625977525 /nfs/dbraw/zinc/97/75/25/625977525.db2.gz NFWAJYFNJXRKBQ-BBRMVZONSA-N 1 1 280.375 3.167 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)F)CC1 ZINC001004324659 626038887 /nfs/dbraw/zinc/03/88/87/626038887.db2.gz IGTHOYKBSJBDMU-OAHLLOKOSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)/C(C)=C\C)CC1 ZINC001004397203 626047013 /nfs/dbraw/zinc/04/70/13/626047013.db2.gz BMSFNSAIWZNTJP-FLUNIGMLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C[C@@H](OC(=O)c1cnn(-c2cc[nH+]cc2)c1)C(C)(C)C ZINC000835389968 634478642 /nfs/dbraw/zinc/47/86/42/634478642.db2.gz ABHDCPAFEISHAB-CQSZACIVSA-N 1 1 285.347 3.025 20 30 CGEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)OCc1c(C)cc(C)[nH+]c1C ZINC000923162060 626134402 /nfs/dbraw/zinc/13/44/02/626134402.db2.gz VTNIXAWOSVBEGO-HOCLYGCPSA-N 1 1 289.375 3.031 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000839087177 626312580 /nfs/dbraw/zinc/31/25/80/626312580.db2.gz BTRYFPOOXGLYLR-KGLIPLIRSA-N 1 1 282.428 3.045 20 30 CGEDMO COc1ccc(N[NH+]=Cc2ccc(N3CCCC3)nc2)cc1 ZINC000750944749 626371236 /nfs/dbraw/zinc/37/12/36/626371236.db2.gz AFUZJKYCMJOITR-UHFFFAOYSA-N 1 1 296.374 3.136 20 30 CGEDMO CC(=[NH+]n1cc(Br)cn1)C1CCCCC1 ZINC000752747739 626437138 /nfs/dbraw/zinc/43/71/38/626437138.db2.gz QNRFAFYYJQVHPX-UHFFFAOYSA-N 1 1 270.174 3.450 20 30 CGEDMO CCCCCCCCNC(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000755079486 626599820 /nfs/dbraw/zinc/59/98/20/626599820.db2.gz VRTRZDAMWZCDFC-INIZCTEOSA-N 1 1 297.487 3.330 20 30 CGEDMO CCc1[nH+]c(CN=Nc2ccc(C)cn2)c2ccccn21 ZINC000755689016 626636826 /nfs/dbraw/zinc/63/68/26/626636826.db2.gz IUYSFMGVIILCDN-UHFFFAOYSA-N 1 1 279.347 3.046 20 30 CGEDMO C=C(C)C[N@@H+](C)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000839547280 626761364 /nfs/dbraw/zinc/76/13/64/626761364.db2.gz FODVRYNGUCXEAD-AWEZNQCLSA-N 1 1 282.428 3.141 20 30 CGEDMO C#C[C@H](C)N(C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000839583686 626763275 /nfs/dbraw/zinc/76/32/75/626763275.db2.gz LTSRWJIJZWRKJA-INIZCTEOSA-N 1 1 270.420 3.126 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1c2ccccc2sc1C(=O)OC ZINC000839585057 626765632 /nfs/dbraw/zinc/76/56/32/626765632.db2.gz ZEPCZVPDORWVPF-NSHDSACASA-N 1 1 287.384 3.141 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1c2ccccc2sc1C(=O)OC ZINC000839585057 626765636 /nfs/dbraw/zinc/76/56/36/626765636.db2.gz ZEPCZVPDORWVPF-NSHDSACASA-N 1 1 287.384 3.141 20 30 CGEDMO C[C@@H]1CC(N=Nc2ccccn2)C[N@H+]1Cc1ccccc1 ZINC000757561670 626788722 /nfs/dbraw/zinc/78/87/22/626788722.db2.gz XWUTYESLZRAMJD-CQSZACIVSA-N 1 1 280.375 3.144 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C(=O)OC)s1)C1CCCCC1 ZINC000757832524 626809221 /nfs/dbraw/zinc/80/92/21/626809221.db2.gz YWVOUWJJFLHHOQ-UHFFFAOYSA-N 1 1 291.416 3.303 20 30 CGEDMO Fc1ccc(N[NH+]=Cc2ccc(N3CCCC3)nc2)cc1 ZINC000758357823 626838881 /nfs/dbraw/zinc/83/88/81/626838881.db2.gz BVPVYVMDWXKIJR-UHFFFAOYSA-N 1 1 284.338 3.267 20 30 CGEDMO CCC(=[NH+]OCC(F)F)c1ccc(N(C)C)cc1 ZINC000758912746 626866260 /nfs/dbraw/zinc/86/62/60/626866260.db2.gz YCAPXAJHDBZQTM-UHFFFAOYSA-N 1 1 256.296 3.148 20 30 CGEDMO C=CCCCCCCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000805221035 627023137 /nfs/dbraw/zinc/02/31/37/627023137.db2.gz JIXKGJWKTIBINL-UHFFFAOYSA-N 1 1 289.423 3.015 20 30 CGEDMO C=C(Cl)CN[C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000761312574 627031772 /nfs/dbraw/zinc/03/17/72/627031772.db2.gz IIDGBFTZQMYDFF-HNNXBMFYSA-N 1 1 278.827 3.382 20 30 CGEDMO C=C(Cl)CN[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000761312574 627031773 /nfs/dbraw/zinc/03/17/73/627031773.db2.gz IIDGBFTZQMYDFF-HNNXBMFYSA-N 1 1 278.827 3.382 20 30 CGEDMO C[C@@H]1CC(N=Nc2ccc(OC(F)(F)F)cc2)C[N@H+]1C ZINC000761805022 627061427 /nfs/dbraw/zinc/06/14/27/627061427.db2.gz VYDJWRDXDAUGNW-SECBINFHSA-N 1 1 287.285 3.077 20 30 CGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CC[C@H]2c2ccccc2)cc1 ZINC000763414649 627157544 /nfs/dbraw/zinc/15/75/44/627157544.db2.gz XQLMZOWJJWDHQS-ZWKOTPCHSA-N 1 1 278.355 3.039 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000763623878 627171171 /nfs/dbraw/zinc/17/11/71/627171171.db2.gz PLMUZDSWAWJRQH-OAHLLOKOSA-N 1 1 286.419 3.030 20 30 CGEDMO C[C@H]1CC(C)(C)CC1=[NH+]n1cc(Br)cn1 ZINC000766025805 627288230 /nfs/dbraw/zinc/28/82/30/627288230.db2.gz OBAJWHAIXJAGBJ-QMMMGPOBSA-N 1 1 270.174 3.306 20 30 CGEDMO C=CC[N@@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])C(C)C ZINC000766109366 627296510 /nfs/dbraw/zinc/29/65/10/627296510.db2.gz NHOWGYDTBNALKQ-UHFFFAOYSA-N 1 1 282.315 3.139 20 30 CGEDMO C=CC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])C(C)C ZINC000766109366 627296511 /nfs/dbraw/zinc/29/65/11/627296511.db2.gz NHOWGYDTBNALKQ-UHFFFAOYSA-N 1 1 282.315 3.139 20 30 CGEDMO C#CCCC[N@@H+]1CCCC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000766896141 627367686 /nfs/dbraw/zinc/36/76/86/627367686.db2.gz QHUKMKMBLVSJDQ-HUUCEWRRSA-N 1 1 294.439 3.168 20 30 CGEDMO C#CCCC[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000766896650 627368720 /nfs/dbraw/zinc/36/87/20/627368720.db2.gz WRQXDVNTYSWGBR-UHFFFAOYSA-N 1 1 281.403 3.355 20 30 CGEDMO C#CCCC[N@H+]1CCc2cc(OCCC)ccc2C1 ZINC000766928137 627370873 /nfs/dbraw/zinc/37/08/73/627370873.db2.gz YOHNPHZMGYASLM-UHFFFAOYSA-N 1 1 257.377 3.247 20 30 CGEDMO C#CCCC[N@H+](C)C[C@@H](C)Cc1ccc(OC)cc1 ZINC000766942184 627372718 /nfs/dbraw/zinc/37/27/18/627372718.db2.gz TVIQOHVDIPPYOE-HNNXBMFYSA-N 1 1 259.393 3.219 20 30 CGEDMO C=CC[N@H+](CC(OCC)OCC)CC1CCCCC1 ZINC000767787737 627436956 /nfs/dbraw/zinc/43/69/56/627436956.db2.gz KXMBXXZDSPDJCA-UHFFFAOYSA-N 1 1 269.429 3.454 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000767974407 627447305 /nfs/dbraw/zinc/44/73/05/627447305.db2.gz VQRRBKDFRMPIOO-NVXWUHKLSA-N 1 1 287.403 3.406 20 30 CGEDMO CC(C)C[N@H+](CCC#N)Cc1ccc2c(c1)COC2 ZINC000768153828 627463993 /nfs/dbraw/zinc/46/39/93/627463993.db2.gz LRXIPRMWPBIIAF-UHFFFAOYSA-N 1 1 258.365 3.088 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc2c(c1)COC2 ZINC000768153828 627463996 /nfs/dbraw/zinc/46/39/96/627463996.db2.gz LRXIPRMWPBIIAF-UHFFFAOYSA-N 1 1 258.365 3.088 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCc3sccc3C2)cc1 ZINC000768234006 627469958 /nfs/dbraw/zinc/46/99/58/627469958.db2.gz FHGOJHJYYMJSEI-UHFFFAOYSA-N 1 1 283.396 3.318 20 30 CGEDMO C[C@@H]1C[C@H](NCC(C)(C)C#N)C[N@H+](Cc2ccccc2)C1 ZINC000768529504 627484564 /nfs/dbraw/zinc/48/45/64/627484564.db2.gz PNFDSXAYLYHKEJ-WBVHZDCISA-N 1 1 285.435 3.036 20 30 CGEDMO C[C@@H]1C[C@H](NCC(C)(C)C#N)C[N@@H+](Cc2ccccc2)C1 ZINC000768529504 627484569 /nfs/dbraw/zinc/48/45/69/627484569.db2.gz PNFDSXAYLYHKEJ-WBVHZDCISA-N 1 1 285.435 3.036 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(N(C)CCC#N)cc1)C(C)C ZINC000768547460 627486026 /nfs/dbraw/zinc/48/60/26/627486026.db2.gz NKEPKVXDCBNVPA-UHFFFAOYSA-N 1 1 271.408 3.433 20 30 CGEDMO C=C(Cl)C[N@@H+](CCCC(=O)OC)Cc1ccccc1 ZINC000768544348 627486206 /nfs/dbraw/zinc/48/62/06/627486206.db2.gz NPNUYLCGUOMNIG-UHFFFAOYSA-N 1 1 281.783 3.194 20 30 CGEDMO C=C(Cl)C[N@H+](CCCC(=O)OC)Cc1ccccc1 ZINC000768544348 627486209 /nfs/dbraw/zinc/48/62/09/627486209.db2.gz NPNUYLCGUOMNIG-UHFFFAOYSA-N 1 1 281.783 3.194 20 30 CGEDMO C#CCOc1ccccc1C[N@H+](C)Cc1cc(C#N)cs1 ZINC000769349645 627544541 /nfs/dbraw/zinc/54/45/41/627544541.db2.gz BGHUJPUAQABNPF-UHFFFAOYSA-N 1 1 296.395 3.264 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000769349645 627544544 /nfs/dbraw/zinc/54/45/44/627544544.db2.gz BGHUJPUAQABNPF-UHFFFAOYSA-N 1 1 296.395 3.264 20 30 CGEDMO C#CC[NH+](CC#C)Cc1ccc(Oc2cccnc2)c(C)c1 ZINC000769442350 627552029 /nfs/dbraw/zinc/55/20/29/627552029.db2.gz JHJUSDMEOACQJJ-UHFFFAOYSA-N 1 1 290.366 3.251 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CCOC(C)(C)[C@@H]2C)cc1 ZINC000769451858 627554522 /nfs/dbraw/zinc/55/45/22/627554522.db2.gz OTWQDPKYUTVWIO-HNNXBMFYSA-N 1 1 287.403 3.088 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC[C@@]3(CCCOC3)C2)cc1 ZINC000769485945 627559492 /nfs/dbraw/zinc/55/94/92/627559492.db2.gz QRDFUEISUADBGK-LJQANCHMSA-N 1 1 299.414 3.091 20 30 CGEDMO C#CC[N@@H+](Cc1cccc(-n2cccn2)c1)C1CCCC1 ZINC000769531612 627562962 /nfs/dbraw/zinc/56/29/62/627562962.db2.gz VAKYUWBGFCXIBK-UHFFFAOYSA-N 1 1 279.387 3.250 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCC1=NNCC(F)(F)F ZINC000769821399 627581409 /nfs/dbraw/zinc/58/14/09/627581409.db2.gz FUJRFSWTDGWVHA-GFCCVEGCSA-N 1 1 299.340 3.036 20 30 CGEDMO N#C[C@H]1CC[C@H](NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000769999622 627596961 /nfs/dbraw/zinc/59/69/61/627596961.db2.gz APSMCTJVRUWDPC-WMZOPIPTSA-N 1 1 289.467 3.313 20 30 CGEDMO CCCCCCCC[N@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000770003730 627597609 /nfs/dbraw/zinc/59/76/09/627597609.db2.gz ZRLMDPSRFXFWQN-OAHLLOKOSA-N 1 1 289.485 3.246 20 30 CGEDMO C=CC[N@@H+](Cn1nc(Cl)c2ccccc21)C1CC1 ZINC000771639737 627724407 /nfs/dbraw/zinc/72/44/07/627724407.db2.gz KGCHZOJSNBPTOR-UHFFFAOYSA-N 1 1 261.756 3.298 20 30 CGEDMO C=CC[N@H+](Cn1nc(Cl)c2ccccc21)C1CC1 ZINC000771639737 627724413 /nfs/dbraw/zinc/72/44/13/627724413.db2.gz KGCHZOJSNBPTOR-UHFFFAOYSA-N 1 1 261.756 3.298 20 30 CGEDMO C=C(CC)C[N@@H+]1CCC[C@H](C(=O)NCCCCCC)C1 ZINC000773427127 627882601 /nfs/dbraw/zinc/88/26/01/627882601.db2.gz IWYIHWXSSVPCEY-INIZCTEOSA-N 1 1 280.456 3.361 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)C[C@H]1CCC=CO1 ZINC000774858034 628041207 /nfs/dbraw/zinc/04/12/07/628041207.db2.gz LRKCSAMIYVYWGT-QGZVFWFLSA-N 1 1 257.377 3.410 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000775179979 628069612 /nfs/dbraw/zinc/06/96/12/628069612.db2.gz UCUUBVKNHDKRSK-LBPRGKRZSA-N 1 1 260.337 3.172 20 30 CGEDMO C#CC[N@H+](Cc1nc2c(s1)CCC2)C1CCCCC1 ZINC000775664899 628121898 /nfs/dbraw/zinc/12/18/98/628121898.db2.gz QUGYUAKDJVUDOZ-UHFFFAOYSA-N 1 1 274.433 3.400 20 30 CGEDMO C#CC[N@@H+](Cc1nc2c(s1)CCC2)C1CCCCC1 ZINC000775664899 628121900 /nfs/dbraw/zinc/12/19/00/628121900.db2.gz QUGYUAKDJVUDOZ-UHFFFAOYSA-N 1 1 274.433 3.400 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC000775906855 628147617 /nfs/dbraw/zinc/14/76/17/628147617.db2.gz CLGKCDVDVSEZMH-UHFFFAOYSA-N 1 1 297.354 3.188 20 30 CGEDMO Cc1cc2ccccc2nc1N=NC1CCC[N@H+](C)CC1 ZINC000776785494 628232060 /nfs/dbraw/zinc/23/20/60/628232060.db2.gz HLEQOYLAZZKDBR-UHFFFAOYSA-N 1 1 282.391 3.427 20 30 CGEDMO Cc1cc2ccccc2nc1N=NC1CC[N@@H+](C)[C@@H](C)C1 ZINC000776786237 628232226 /nfs/dbraw/zinc/23/22/26/628232226.db2.gz SNZIIWNLWUOHQJ-ZDUSSCGKSA-N 1 1 282.391 3.425 20 30 CGEDMO CC(=[NH+]OCCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000777456387 628272842 /nfs/dbraw/zinc/27/28/42/628272842.db2.gz XTMHWKCMOKSWET-UHFFFAOYSA-N 1 1 274.286 3.446 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cn1ncc(Cl)c1C ZINC000778584613 628359422 /nfs/dbraw/zinc/35/94/22/628359422.db2.gz HJGDEMAPVNSDDB-UHFFFAOYSA-N 1 1 279.771 3.126 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cn1ncc(Cl)c1C ZINC000778584613 628359424 /nfs/dbraw/zinc/35/94/24/628359424.db2.gz HJGDEMAPVNSDDB-UHFFFAOYSA-N 1 1 279.771 3.126 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(F)nc1 ZINC000779166132 628392240 /nfs/dbraw/zinc/39/22/40/628392240.db2.gz KWKYERPYGSZVBC-UHFFFAOYSA-N 1 1 260.312 3.044 20 30 CGEDMO CC(=NNc1cc[nH+]cc1)c1ccc(F)c(Cl)c1 ZINC000779809598 628434119 /nfs/dbraw/zinc/43/41/19/628434119.db2.gz PYNXYZVDTDHGHJ-UHFFFAOYSA-N 1 1 263.703 3.132 20 30 CGEDMO CC(=NNc1cc[nH+]cc1)c1nc(-c2ccccc2)[nH]c1C ZINC000779811781 628434442 /nfs/dbraw/zinc/43/44/42/628434442.db2.gz VDVFIZCKPFGASN-UHFFFAOYSA-N 1 1 291.358 3.038 20 30 CGEDMO C#CCCCCCC(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000779883753 628439861 /nfs/dbraw/zinc/43/98/61/628439861.db2.gz FRCSOUHOEUXJBY-UHFFFAOYSA-N 1 1 296.374 3.098 20 30 CGEDMO C#CCCCCCC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000780379156 628485396 /nfs/dbraw/zinc/48/53/96/628485396.db2.gz UZAJMVPNYFWCDS-KRWDZBQOSA-N 1 1 292.467 3.341 20 30 CGEDMO C=CC[N@H+](CN1CC[C@@](C)(c2ccccc2)C1=O)C(C)C ZINC000780428449 628488431 /nfs/dbraw/zinc/48/84/31/628488431.db2.gz DOYSKFCAJSKNMX-SFHVURJKSA-N 1 1 286.419 3.031 20 30 CGEDMO C=CC[N@@H+](CN1CC[C@@](C)(c2ccccc2)C1=O)C(C)C ZINC000780428449 628488434 /nfs/dbraw/zinc/48/84/34/628488434.db2.gz DOYSKFCAJSKNMX-SFHVURJKSA-N 1 1 286.419 3.031 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccnc(N(C)C)c1 ZINC000782173918 628619310 /nfs/dbraw/zinc/61/93/10/628619310.db2.gz GRMSPSTXTVTENE-UHFFFAOYSA-N 1 1 295.430 3.378 20 30 CGEDMO COc1cc(C)ccc1[C@@H](C)[NH2+]Cc1ccc(C#N)cn1 ZINC000783300650 628701485 /nfs/dbraw/zinc/70/14/85/628701485.db2.gz OUSYKKJHHSGICL-CYBMUJFWSA-N 1 1 281.359 3.121 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000784482307 628815324 /nfs/dbraw/zinc/81/53/24/628815324.db2.gz HHFSJKAVJHFXJI-LBPRGKRZSA-N 1 1 253.267 3.128 20 30 CGEDMO COCC#CC[N@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000784481382 628815659 /nfs/dbraw/zinc/81/56/59/628815659.db2.gz BRKGOMSPZVXXSY-AWEZNQCLSA-N 1 1 297.320 3.145 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1CCNC(=O)OC(C)(C)C ZINC000805762443 628818029 /nfs/dbraw/zinc/81/80/29/628818029.db2.gz AJHQCVIDXMSGGW-AWEZNQCLSA-N 1 1 282.428 3.332 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000785463265 628863935 /nfs/dbraw/zinc/86/39/35/628863935.db2.gz OJBHJRQGYYVUJF-CQSZACIVSA-N 1 1 297.443 3.161 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000785463265 628863936 /nfs/dbraw/zinc/86/39/36/628863936.db2.gz OJBHJRQGYYVUJF-CQSZACIVSA-N 1 1 297.443 3.161 20 30 CGEDMO C#CC[N@H+](CCCSCCOC)C1CCCCC1 ZINC000785669059 628878452 /nfs/dbraw/zinc/87/84/52/628878452.db2.gz CVKYIGWRMLCHSQ-UHFFFAOYSA-N 1 1 269.454 3.024 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000785998486 628906534 /nfs/dbraw/zinc/90/65/34/628906534.db2.gz GSOYYXDOAWUUIR-HNNXBMFYSA-N 1 1 256.349 3.129 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000785998713 628906718 /nfs/dbraw/zinc/90/67/18/628906718.db2.gz LEODKRRWXNXCGX-INIZCTEOSA-N 1 1 270.376 3.368 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(F)c(F)c1 ZINC000785997300 628906855 /nfs/dbraw/zinc/90/68/55/628906855.db2.gz KSTYKKBLUJSTMJ-WFASDCNBSA-N 1 1 267.319 3.039 20 30 CGEDMO CCOCCC[N@H+]1CCC(=NNC2CCCCC2)[C@H](C)C1 ZINC000786043052 628910653 /nfs/dbraw/zinc/91/06/53/628910653.db2.gz GBXGVRPNJWOWHW-OAHLLOKOSA-N 1 1 295.471 3.033 20 30 CGEDMO C=CCC[N@H+](C)Cc1c(O)c(C(=O)OC)cc2ccccc21 ZINC000786100586 628914279 /nfs/dbraw/zinc/91/42/79/628914279.db2.gz CBYHWRMUZLOBAE-UHFFFAOYSA-N 1 1 299.370 3.340 20 30 CGEDMO C=CCC[N@H+](C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000786102814 628914335 /nfs/dbraw/zinc/91/43/35/628914335.db2.gz WCZAFSYYUOQIMJ-UHFFFAOYSA-N 1 1 294.742 3.063 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(OCC)ccc1O ZINC000787307928 629007714 /nfs/dbraw/zinc/00/77/14/629007714.db2.gz AKRXMGJKHTVAAA-AWEZNQCLSA-N 1 1 261.365 3.331 20 30 CGEDMO C=CC[N@@H+](C)Cc1ccc(Cl)nc1C(F)(F)F ZINC000787306205 629008102 /nfs/dbraw/zinc/00/81/02/629008102.db2.gz KZNQUQFVRFXPMR-UHFFFAOYSA-N 1 1 264.678 3.372 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(Cl)nc1C(F)(F)F ZINC000787306205 629008105 /nfs/dbraw/zinc/00/81/05/629008105.db2.gz KZNQUQFVRFXPMR-UHFFFAOYSA-N 1 1 264.678 3.372 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000787997944 629038038 /nfs/dbraw/zinc/03/80/38/629038038.db2.gz SQRBPVLWTWWJGW-UHFFFAOYSA-N 1 1 253.292 3.132 20 30 CGEDMO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000789452105 629134519 /nfs/dbraw/zinc/13/45/19/629134519.db2.gz PZZWXAJSXPUXAM-ILXRZTDVSA-N 1 1 272.392 3.455 20 30 CGEDMO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000789452110 629134863 /nfs/dbraw/zinc/13/48/63/629134863.db2.gz PZZWXAJSXPUXAM-QLFBSQMISA-N 1 1 272.392 3.455 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000790364065 629207868 /nfs/dbraw/zinc/20/78/68/629207868.db2.gz WWOVXLBVWWHCKL-ARFHVFGLSA-N 1 1 269.429 3.225 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2nccn2-c2ccccc2)cc1 ZINC000790949338 629242673 /nfs/dbraw/zinc/24/26/73/629242673.db2.gz LSWQYHKGGQCSGP-UHFFFAOYSA-N 1 1 288.354 3.034 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccsc2Br)C1 ZINC000862403142 629364935 /nfs/dbraw/zinc/36/49/35/629364935.db2.gz WGMLGNGUIPDWKG-JTQLQIEISA-N 1 1 284.222 3.356 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccsc2Br)C1 ZINC000862403142 629364937 /nfs/dbraw/zinc/36/49/37/629364937.db2.gz WGMLGNGUIPDWKG-JTQLQIEISA-N 1 1 284.222 3.356 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CC2(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000862439930 629373363 /nfs/dbraw/zinc/37/33/63/629373363.db2.gz BZGGOGKYUZCICL-CQSZACIVSA-N 1 1 294.439 3.189 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cccc(OC)c2OC(F)F)C1 ZINC000862443260 629375721 /nfs/dbraw/zinc/37/57/21/629375721.db2.gz NCWBWHQFGUTBQF-GFCCVEGCSA-N 1 1 295.329 3.142 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000862445059 629378041 /nfs/dbraw/zinc/37/80/41/629378041.db2.gz LAHFUTYRDHHPKG-LBPRGKRZSA-N 1 1 275.779 3.120 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(C)cc2-c2cnn(C)c2)C1 ZINC000862447783 629381486 /nfs/dbraw/zinc/38/14/86/629381486.db2.gz QXXBUSSZAURCIZ-MRXNPFEDSA-N 1 1 293.414 3.241 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccnn2-c2ccccc2C)C1 ZINC000862448554 629381595 /nfs/dbraw/zinc/38/15/95/629381595.db2.gz ZURZAFFPXQUEIO-MRXNPFEDSA-N 1 1 279.387 3.026 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000792885271 629389644 /nfs/dbraw/zinc/38/96/44/629389644.db2.gz QSKWQVSIRKBSTG-UHFFFAOYSA-N 1 1 286.753 3.229 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000792885271 629389645 /nfs/dbraw/zinc/38/96/45/629389645.db2.gz QSKWQVSIRKBSTG-UHFFFAOYSA-N 1 1 286.753 3.229 20 30 CGEDMO Cc1[nH+]c(C=NN[C@H](C)C(C)(C)C)c2ccccn12 ZINC000793110728 629411423 /nfs/dbraw/zinc/41/14/23/629411423.db2.gz BBWOKKJSQBLOTK-LLVKDONJSA-N 1 1 258.369 3.001 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000793229338 629432402 /nfs/dbraw/zinc/43/24/02/629432402.db2.gz XPBNPGUFBXSYTP-OCCSQVGLSA-N 1 1 297.320 3.471 20 30 CGEDMO C=CCCCCC[C@@H](C)[NH2+][C@@H]1CCc2cn[nH]c2C1 ZINC000793532527 629477127 /nfs/dbraw/zinc/47/71/27/629477127.db2.gz MJCIGQVTTJHBBL-UKRRQHHQSA-N 1 1 261.413 3.382 20 30 CGEDMO CC(=NN1CC[NH+](C)CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000794445517 629543740 /nfs/dbraw/zinc/54/37/40/629543740.db2.gz PPIQIUVKHGHZQX-GFCCVEGCSA-N 1 1 279.815 3.067 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)CCCC(=O)Nc1c(C)cccc1C ZINC000794578681 629559090 /nfs/dbraw/zinc/55/90/90/629559090.db2.gz HOTICRJENKTFDA-UHFFFAOYSA-N 1 1 286.419 3.366 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@H]2CN(C)C[C@H]21 ZINC000794950567 629604804 /nfs/dbraw/zinc/60/48/04/629604804.db2.gz YXKOLMSGBNIAJT-JKSUJKDBSA-N 1 1 252.446 3.373 20 30 CGEDMO C#CCC[N@@H+]1C[C@@H](C)CC[C@H]1c1ccccc1OC ZINC000796246131 629757546 /nfs/dbraw/zinc/75/75/46/629757546.db2.gz INHBRQBZFQFQBL-HOCLYGCPSA-N 1 1 257.377 3.492 20 30 CGEDMO C#CCC[N@H+](Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000797528913 629956814 /nfs/dbraw/zinc/95/68/14/629956814.db2.gz ZVJNZQJCYHZVEL-UHFFFAOYSA-N 1 1 287.794 3.099 20 30 CGEDMO CCCCCCCC(=O)N1CCC[N@@H+](C)C[C@@H]1CC ZINC000798141286 630026390 /nfs/dbraw/zinc/02/63/90/630026390.db2.gz FGUJRUQNLZHAIA-HNNXBMFYSA-N 1 1 268.445 3.290 20 30 CGEDMO C[C@]1(C[NH2+][C@H]2CC[C@H](C#N)C2)CCN(Cc2ccccc2)C1 ZINC000799724538 630225218 /nfs/dbraw/zinc/22/52/18/630225218.db2.gz FAGDRNRNKGMAEV-GBESFXJTSA-N 1 1 297.446 3.180 20 30 CGEDMO Cc1ccc(C)c([C@@H](C)[N@H+](C)CCO[C@H](C)C#N)c1 ZINC000801914272 630364655 /nfs/dbraw/zinc/36/46/55/630364655.db2.gz VRCLVUINWBLOPO-HUUCEWRRSA-N 1 1 260.381 3.225 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC000801941784 630371780 /nfs/dbraw/zinc/37/17/80/630371780.db2.gz WVZXTPCXWPCFKT-GOEBONIOSA-N 1 1 258.365 3.142 20 30 CGEDMO C#CCCCNc1cc(NCCCC#C)c2ccncc2[nH+]1 ZINC000804515185 630534022 /nfs/dbraw/zinc/53/40/22/630534022.db2.gz ARYJMKJMWYMPHR-UHFFFAOYSA-N 1 1 292.386 3.280 20 30 CGEDMO C#CC[N@H+](C[C@@H](O)C(C)(C)C)[C@@H]1CCc2ccccc21 ZINC000808711838 630669286 /nfs/dbraw/zinc/66/92/86/630669286.db2.gz UABUXRAMUUJNGZ-IAGOWNOFSA-N 1 1 271.404 3.016 20 30 CGEDMO C#CC[NH+](CC#C)[C@@H](C)c1ccc(Br)cc1 ZINC000809577983 630753274 /nfs/dbraw/zinc/75/32/74/630753274.db2.gz DROIJOIRWYEANN-LBPRGKRZSA-N 1 1 276.177 3.079 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCCC[C@H](SC)C2)cc1 ZINC000809595671 630756666 /nfs/dbraw/zinc/75/66/66/630756666.db2.gz OXALUOBJDYKWRY-INIZCTEOSA-N 1 1 259.418 3.385 20 30 CGEDMO C#Cc1ccc(CNCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000809602055 630758898 /nfs/dbraw/zinc/75/88/98/630758898.db2.gz PRJZCJNNMOMJNM-MRXNPFEDSA-N 1 1 270.420 3.022 20 30 CGEDMO C#Cc1ccc(CNCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000809602055 630758902 /nfs/dbraw/zinc/75/89/02/630758902.db2.gz PRJZCJNNMOMJNM-MRXNPFEDSA-N 1 1 270.420 3.022 20 30 CGEDMO C#C[C@H](CC)[NH2+]Cc1c(C)nn(CCCC)c1Cl ZINC000809686265 630778655 /nfs/dbraw/zinc/77/86/55/630778655.db2.gz GHGRJUUXTBXZGC-GFCCVEGCSA-N 1 1 267.804 3.146 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)Cc1ccc(F)nc1C ZINC000809715568 630788839 /nfs/dbraw/zinc/78/88/39/630788839.db2.gz CXVCCSIZONJPHW-UHFFFAOYSA-N 1 1 268.335 3.165 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(F)nc1C ZINC000809715568 630788847 /nfs/dbraw/zinc/78/88/47/630788847.db2.gz CXVCCSIZONJPHW-UHFFFAOYSA-N 1 1 268.335 3.165 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)Cc2ccc(O)cc2)cc1 ZINC000809754009 630800020 /nfs/dbraw/zinc/80/00/20/630800020.db2.gz ZURPWKYXCODERL-AWEZNQCLSA-N 1 1 296.370 3.315 20 30 CGEDMO C#CCOCC[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000809968861 630823308 /nfs/dbraw/zinc/82/33/08/630823308.db2.gz ISLFGUCIZAIMOR-UHFFFAOYSA-N 1 1 272.175 3.075 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CC2(CCC2)[C@H]1C1CC1 ZINC000811513498 631080266 /nfs/dbraw/zinc/08/02/66/631080266.db2.gz IVSYPQHFQRDNCU-GOSISDBHSA-N 1 1 281.399 3.463 20 30 CGEDMO Cl/C=C\CO[NH+]=C1CCCNc2ccccc21 ZINC000811671398 631109071 /nfs/dbraw/zinc/10/90/71/631109071.db2.gz FDBOYDVWSRZEBR-AUXGEVTDSA-N 1 1 250.729 3.366 20 30 CGEDMO C[C@H]1CN(c2ccccc2C=[NH+]OC/C=C\Cl)CCO1 ZINC000811672166 631109084 /nfs/dbraw/zinc/10/90/84/631109084.db2.gz RXEUCQMKOYLXBT-DTIKWXCFSA-N 1 1 294.782 3.015 20 30 CGEDMO C=CCCCCCCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000811892546 631130762 /nfs/dbraw/zinc/13/07/62/631130762.db2.gz WDUDBQFTTJQTKO-HOTGVXAUSA-N 1 1 295.471 3.295 20 30 CGEDMO C=CCCCCCCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000811892545 631130819 /nfs/dbraw/zinc/13/08/19/631130819.db2.gz WDUDBQFTTJQTKO-CVEARBPZSA-N 1 1 295.471 3.295 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCC1=NOC1CCC1 ZINC000812235168 631226680 /nfs/dbraw/zinc/22/66/80/631226680.db2.gz NWJLMZKJQMVXOR-AWEZNQCLSA-N 1 1 272.392 3.454 20 30 CGEDMO CCc1[nH+]c(C=NOCCC2CC2)c2ccccn21 ZINC000814246114 631560068 /nfs/dbraw/zinc/56/00/68/631560068.db2.gz DJHHKCLHAYFCMO-UHFFFAOYSA-N 1 1 257.337 3.047 20 30 CGEDMO CCOCCON=C1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000814907419 631676043 /nfs/dbraw/zinc/67/60/43/631676043.db2.gz IPXWTEURLLJRCK-OAHLLOKOSA-N 1 1 290.407 3.080 20 30 CGEDMO C#CC[N@@H+](C)CCCNc1cc(C)nc2c(F)cccc12 ZINC000814928972 631686067 /nfs/dbraw/zinc/68/60/67/631686067.db2.gz FHVBWWJEZPRXQE-UHFFFAOYSA-N 1 1 285.366 3.049 20 30 CGEDMO N#CCC[N@@H+](C[C@H](O)c1cccc2ccccc21)CC1CC1 ZINC000815057007 631708692 /nfs/dbraw/zinc/70/86/92/631708692.db2.gz GEEOQGQTXOPMPM-IBGZPJMESA-N 1 1 294.398 3.499 20 30 CGEDMO N#CCC[N@H+](C[C@H](O)c1cccc2ccccc21)CC1CC1 ZINC000815057007 631708700 /nfs/dbraw/zinc/70/87/00/631708700.db2.gz GEEOQGQTXOPMPM-IBGZPJMESA-N 1 1 294.398 3.499 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)C[C@H](O)c1cccc2ccccc21 ZINC000815103540 631717853 /nfs/dbraw/zinc/71/78/53/631717853.db2.gz VZVLKKTYYPWLNZ-KRWDZBQOSA-N 1 1 267.372 3.217 20 30 CGEDMO C#CCCCC(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000816454539 631985670 /nfs/dbraw/zinc/98/56/70/631985670.db2.gz GNVIZIJNRCABBZ-SJLPKXTDSA-N 1 1 299.414 3.244 20 30 CGEDMO C#CCCCSCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000817386152 632136331 /nfs/dbraw/zinc/13/63/31/632136331.db2.gz OYCXLFBYMLQTFO-UHFFFAOYSA-N 1 1 289.444 3.165 20 30 CGEDMO N#Cc1cc(F)ccc1C[NH+]1CCC(CCF)CC1 ZINC000879207474 635726543 /nfs/dbraw/zinc/72/65/43/635726543.db2.gz HWHUUUZJENXEOS-UHFFFAOYSA-N 1 1 264.319 3.269 20 30 CGEDMO C#CCCCCC[N@H+](C)CCc1cccc(C#N)c1 ZINC000879432736 635787461 /nfs/dbraw/zinc/78/74/61/635787461.db2.gz OQHOAXZJGUOBEK-UHFFFAOYSA-N 1 1 254.377 3.226 20 30 CGEDMO N#CCCC[C@@H]([NH3+])c1nc(Cc2cccc(Cl)c2)no1 ZINC000818381863 632316236 /nfs/dbraw/zinc/31/62/36/632316236.db2.gz UGVVCOANPFTXFY-GFCCVEGCSA-N 1 1 290.754 3.007 20 30 CGEDMO C#CC[N@H+](C[C@@H](OC)C1CC1)[C@@H]1CCc2ccccc21 ZINC000822588725 632979575 /nfs/dbraw/zinc/97/95/75/632979575.db2.gz XLFUANIEZIMOPY-QZTJIDSGSA-N 1 1 269.388 3.034 20 30 CGEDMO C#CC[N@H+](CC[C@@H]1CC1(Cl)Cl)C1CCCC1 ZINC000822679926 633004481 /nfs/dbraw/zinc/00/44/81/633004481.db2.gz CMRBCHBIADVVFO-LLVKDONJSA-N 1 1 260.208 3.448 20 30 CGEDMO C=C(C)C[N@H+](CC)C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000823382389 633096434 /nfs/dbraw/zinc/09/64/34/633096434.db2.gz JMZQTUCYRKDJKC-YOEHRIQHSA-N 1 1 294.439 3.141 20 30 CGEDMO C[N@@H+](Cc1ccc(F)cc1C#N)C[C@](C)(O)c1ccccc1 ZINC000823590406 633124764 /nfs/dbraw/zinc/12/47/64/633124764.db2.gz CXWDTASRALPRMP-SFHVURJKSA-N 1 1 298.361 3.037 20 30 CGEDMO Cc1ncc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2O)s1 ZINC000866456313 633143404 /nfs/dbraw/zinc/14/34/04/633143404.db2.gz XUVWYMYYTKTKJX-ZJUUUORDSA-N 1 1 287.388 3.441 20 30 CGEDMO C#CCCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)n3ccnc32)cc1 ZINC000825017820 633318335 /nfs/dbraw/zinc/31/83/35/633318335.db2.gz ZAURYALZZCVKNO-RHSMWYFYSA-N 1 1 295.386 3.081 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000826535008 633411246 /nfs/dbraw/zinc/41/12/46/633411246.db2.gz PFIAXJMPKWXYEZ-HNNXBMFYSA-N 1 1 264.372 3.087 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc(/C=C/C(=O)OC)o2)C1 ZINC000826946511 633445097 /nfs/dbraw/zinc/44/50/97/633445097.db2.gz IOMUPOLPRLGTCO-ATWMFIQVSA-N 1 1 289.375 3.254 20 30 CGEDMO C#CC[N@H+](Cc1ccc(F)cc1)CC1CC(F)(F)C1 ZINC000827515898 633496034 /nfs/dbraw/zinc/49/60/34/633496034.db2.gz JFIIKSHBDZGZOD-UHFFFAOYSA-N 1 1 267.294 3.306 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000827634897 633506581 /nfs/dbraw/zinc/50/65/81/633506581.db2.gz GDXKQBNPHDVVQS-CQSZACIVSA-N 1 1 282.428 3.189 20 30 CGEDMO CCCCCCCC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000122787970 633511490 /nfs/dbraw/zinc/51/14/90/633511490.db2.gz QUIVUCXERXVLPR-HUUCEWRRSA-N 1 1 268.445 3.288 20 30 CGEDMO C=CC[N@H+](CC/C=C\c1cncc(OC)c1)C(C)C ZINC000827799430 633519462 /nfs/dbraw/zinc/51/94/62/633519462.db2.gz RPSNIBPTEIAYDW-VURMDHGXSA-N 1 1 260.381 3.390 20 30 CGEDMO C=CC1(CC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CCCCC1 ZINC000828510803 633622276 /nfs/dbraw/zinc/62/22/76/633622276.db2.gz KAYCIDFJFHJWBD-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(C)c2)C1 ZINC000829773131 633780669 /nfs/dbraw/zinc/78/06/69/633780669.db2.gz BANFWEZTVOGGAG-HZPDHXFCSA-N 1 1 284.403 3.057 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2ncc(C(C)(C)C)o2)C1 ZINC000829778888 633782128 /nfs/dbraw/zinc/78/21/28/633782128.db2.gz JOPJIPSNCWIFQO-ZDUSSCGKSA-N 1 1 260.381 3.207 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ncc(C(C)(C)C)o2)C1 ZINC000829778888 633782133 /nfs/dbraw/zinc/78/21/33/633782133.db2.gz JOPJIPSNCWIFQO-ZDUSSCGKSA-N 1 1 260.381 3.207 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](CCc2nc(-c3ccccc3)no2)C1 ZINC000829785853 633784290 /nfs/dbraw/zinc/78/42/90/633784290.db2.gz ZVRLFKWGOJYYJK-OAHLLOKOSA-N 1 1 295.386 3.014 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000829809814 633792710 /nfs/dbraw/zinc/79/27/10/633792710.db2.gz IETMYHHGAHNKCH-XJKSGUPXSA-N 1 1 277.795 3.109 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](C[C@@H](O)c2cc3ccccc3o2)C1 ZINC000829815318 633795557 /nfs/dbraw/zinc/79/55/57/633795557.db2.gz JTQSKCCZGYRAKB-GOEBONIOSA-N 1 1 283.371 3.202 20 30 CGEDMO N#Cc1ccc(CO[NH+]=C(N)CCCc2ccccc2)o1 ZINC000871729542 633844839 /nfs/dbraw/zinc/84/48/39/633844839.db2.gz SMQSDAVIKDMMIU-UHFFFAOYSA-N 1 1 283.331 3.173 20 30 CGEDMO C#CC1CC[NH+]([C@@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC000830326510 633850022 /nfs/dbraw/zinc/85/00/22/633850022.db2.gz STYAKTWMCBRTNC-LBPRGKRZSA-N 1 1 260.381 3.378 20 30 CGEDMO C#CC1CC[NH+]([C@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC000830326509 633850075 /nfs/dbraw/zinc/85/00/75/633850075.db2.gz STYAKTWMCBRTNC-GFCCVEGCSA-N 1 1 260.381 3.378 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000830764928 633886208 /nfs/dbraw/zinc/88/62/08/633886208.db2.gz NGLQCFVBRGIFCF-DOTOQJQBSA-N 1 1 282.387 3.308 20 30 CGEDMO N#CCCCC[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872278423 634098810 /nfs/dbraw/zinc/09/88/10/634098810.db2.gz PVGVUUAEQWDJHP-OAHLLOKOSA-N 1 1 250.386 3.104 20 30 CGEDMO CC(=O)Oc1ccc(C[N@@H+](CCC#N)CCC(C)C)cc1 ZINC000124058482 634117679 /nfs/dbraw/zinc/11/76/79/634117679.db2.gz YSFKBQIQROQNNZ-UHFFFAOYSA-N 1 1 288.391 3.374 20 30 CGEDMO CC(=O)Oc1ccc(C[N@H+](CCC#N)CCC(C)C)cc1 ZINC000124058482 634117684 /nfs/dbraw/zinc/11/76/84/634117684.db2.gz YSFKBQIQROQNNZ-UHFFFAOYSA-N 1 1 288.391 3.374 20 30 CGEDMO CSc1nnc(SC)n1[NH+]=CCCc1ccccc1 ZINC000872417484 634141430 /nfs/dbraw/zinc/14/14/30/634141430.db2.gz YHMDWKXXMMVOHF-UHFFFAOYSA-N 1 1 292.433 3.189 20 30 CGEDMO CC1(C#N)CC[NH+](Cn2ccc(-c3cccc(F)c3)n2)CC1 ZINC000872597037 634175919 /nfs/dbraw/zinc/17/59/19/634175919.db2.gz QOAADGAOAHZYNQ-UHFFFAOYSA-N 1 1 298.365 3.272 20 30 CGEDMO CON=C1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]12 ZINC000834939042 634290822 /nfs/dbraw/zinc/29/08/22/634290822.db2.gz XFDHKRWLHFOZON-GOEBONIOSA-N 1 1 258.365 3.063 20 30 CGEDMO CN(C)c1ccc(/C=C/C=[NH+]OCC(F)(F)F)cc1 ZINC000834964194 634295848 /nfs/dbraw/zinc/29/58/48/634295848.db2.gz RBRDVZVTCAVEJD-MRAATPTDSA-N 1 1 272.270 3.331 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000876697274 634884203 /nfs/dbraw/zinc/88/42/03/634884203.db2.gz RHQPYHMXQPLEBH-QGZVFWFLSA-N 1 1 290.451 3.047 20 30 CGEDMO C[C@H]1CC[C@H](C)[N@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876750240 634892519 /nfs/dbraw/zinc/89/25/19/634892519.db2.gz OXBQZPHQMLHTGW-QWRGUYRKSA-N 1 1 263.772 3.227 20 30 CGEDMO C[C@H]1CC[C@H](C)[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876750240 634892522 /nfs/dbraw/zinc/89/25/22/634892522.db2.gz OXBQZPHQMLHTGW-QWRGUYRKSA-N 1 1 263.772 3.227 20 30 CGEDMO C#CCCCCCC[N@@H+](C)[C@H]1CCN(CC)[C@H](C)C1 ZINC000876757741 634894218 /nfs/dbraw/zinc/89/42/18/634894218.db2.gz FTNVLQRIVNCAAL-SJORKVTESA-N 1 1 264.457 3.375 20 30 CGEDMO C#CCCCCCC[N@H+](C)[C@H]1CCN(CC)[C@H](C)C1 ZINC000876757741 634894221 /nfs/dbraw/zinc/89/42/21/634894221.db2.gz FTNVLQRIVNCAAL-SJORKVTESA-N 1 1 264.457 3.375 20 30 CGEDMO C#CCCCCCC[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000876773002 634896862 /nfs/dbraw/zinc/89/68/62/634896862.db2.gz LDTLZYFFYGYFOD-HXUWFJFHSA-N 1 1 291.460 3.440 20 30 CGEDMO C#CCCCCCC[N@@H+]1CC[C@@]2(C1)c1ccccc1NC2=O ZINC000877429012 635039449 /nfs/dbraw/zinc/03/94/49/635039449.db2.gz RGKQUIWPMVXHCS-LJQANCHMSA-N 1 1 296.414 3.166 20 30 CGEDMO CCc1ccc(C(=O)/C=C\c2c[nH+]c(N(C)C)n2C)s1 ZINC000840715577 635041271 /nfs/dbraw/zinc/04/12/71/635041271.db2.gz RMQGHQMBGGDNPA-VURMDHGXSA-N 1 1 289.404 3.006 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC2(CC(OCC)C2)C1 ZINC000877519060 635068433 /nfs/dbraw/zinc/06/84/33/635068433.db2.gz GWODXEASDCSDHR-UHFFFAOYSA-N 1 1 263.425 3.461 20 30 CGEDMO C#CCCCCCC[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000877543421 635082029 /nfs/dbraw/zinc/08/20/29/635082029.db2.gz AMVPSWYGEDXLAT-IBGZPJMESA-N 1 1 285.431 3.206 20 30 CGEDMO C#C[C@@H]([NH2+]C[C@H]1CC1(Cl)Cl)c1ccc(F)cc1 ZINC000877544794 635083665 /nfs/dbraw/zinc/08/36/65/635083665.db2.gz XIGDUUJIMXXMAO-ZYHUDNBSSA-N 1 1 272.150 3.283 20 30 CGEDMO CCc1cccc(C[NH2+]Cc2cc(C#N)cnc2Cl)c1 ZINC000877614600 635113639 /nfs/dbraw/zinc/11/36/39/635113639.db2.gz JRWOTSPRNCWGQR-UHFFFAOYSA-N 1 1 285.778 3.459 20 30 CGEDMO Cc1cccc(O)c1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000877660415 635135054 /nfs/dbraw/zinc/13/50/54/635135054.db2.gz LUUVPHQYHBZBTJ-UHFFFAOYSA-N 1 1 292.382 3.325 20 30 CGEDMO C[C@H](CC#N)NN=C1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000841633101 635203110 /nfs/dbraw/zinc/20/31/10/635203110.db2.gz NBJFZEGISHKWNB-RDTXWAMCSA-N 1 1 296.418 3.234 20 30 CGEDMO Cc1cc(N(C)C)ccc1C=[NH+]OCCC(F)(F)F ZINC000841632748 635203184 /nfs/dbraw/zinc/20/31/84/635203184.db2.gz GIKZIIYJXKYRMW-UHFFFAOYSA-N 1 1 274.286 3.364 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000877955228 635287526 /nfs/dbraw/zinc/28/75/26/635287526.db2.gz HVZPUPDUUOGMHA-CABCVRRESA-N 1 1 288.439 3.149 20 30 CGEDMO CCCCCCCCC[N@H+]1C[C@H](C)N(CCO)C[C@H]1C ZINC000842162871 635302154 /nfs/dbraw/zinc/30/21/54/635302154.db2.gz IWINCAVVWSZHLP-SJORKVTESA-N 1 1 284.488 3.124 20 30 CGEDMO N#CCC1(C[N@@H+](CCc2ccccc2)C2CC2)CC1 ZINC000878002772 635315825 /nfs/dbraw/zinc/31/58/25/635315825.db2.gz KALGRBZDKZJMDQ-UHFFFAOYSA-N 1 1 254.377 3.387 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000878021834 635324298 /nfs/dbraw/zinc/32/42/98/635324298.db2.gz REQUEIWXDWWZPC-ZIAGYGMSSA-N 1 1 282.428 3.188 20 30 CGEDMO CCC[N@@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)C1CC1 ZINC000878056443 635340501 /nfs/dbraw/zinc/34/05/01/635340501.db2.gz VZKIFGGSDYRNAT-SFHVURJKSA-N 1 1 284.403 3.301 20 30 CGEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1C[C@H](C)[C@H](C)C1)c1ccccc1 ZINC000878151538 635379060 /nfs/dbraw/zinc/37/90/60/635379060.db2.gz XPEADMDDVMMEDB-DAYGRLMNSA-N 1 1 284.403 3.015 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)C[C@H]1CCC2(CCC2)O1 ZINC000878159734 635385262 /nfs/dbraw/zinc/38/52/62/635385262.db2.gz SSYQATOLQYQGLH-OAHLLOKOSA-N 1 1 264.413 3.350 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)C[C@H]1CCC2(CCC2)O1 ZINC000878159734 635385269 /nfs/dbraw/zinc/38/52/69/635385269.db2.gz SSYQATOLQYQGLH-OAHLLOKOSA-N 1 1 264.413 3.350 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000878166074 635389663 /nfs/dbraw/zinc/38/96/63/635389663.db2.gz KWEBOPHHMKVZKG-HZPDHXFCSA-N 1 1 286.419 3.093 20 30 CGEDMO CC[C@H]1CC[N@@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878184623 635399407 /nfs/dbraw/zinc/39/94/07/635399407.db2.gz XXOUDEQTYWJKOV-WMZOPIPTSA-N 1 1 284.403 3.159 20 30 CGEDMO C=CC[C@H](C)[N@@H+]1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000878196898 635408352 /nfs/dbraw/zinc/40/83/52/635408352.db2.gz BWUKEEFHDAIPDU-XJKSGUPXSA-N 1 1 261.365 3.033 20 30 CGEDMO C#CCCCCC[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000878327855 635461763 /nfs/dbraw/zinc/46/17/63/635461763.db2.gz TZBZZVKGLUPBJV-OAHLLOKOSA-N 1 1 286.423 3.055 20 30 CGEDMO C#CCCCCC[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000878327855 635461767 /nfs/dbraw/zinc/46/17/67/635461767.db2.gz TZBZZVKGLUPBJV-OAHLLOKOSA-N 1 1 286.423 3.055 20 30 CGEDMO C#CCCCCC[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000878327855 635461771 /nfs/dbraw/zinc/46/17/71/635461771.db2.gz TZBZZVKGLUPBJV-OAHLLOKOSA-N 1 1 286.423 3.055 20 30 CGEDMO Cc1ccc(C[NH+]2CCC(CC#N)CC2)nc1Cl ZINC000878396361 635486494 /nfs/dbraw/zinc/48/64/94/635486494.db2.gz LKQPKIHNSFTEEG-UHFFFAOYSA-N 1 1 263.772 3.169 20 30 CGEDMO C=CC[C@@H](C)[NH+]1CCC(Cc2nnc(C(C)C)[nH]2)CC1 ZINC000878797576 635632007 /nfs/dbraw/zinc/63/20/07/635632007.db2.gz MQXSTFAZLABMOE-CYBMUJFWSA-N 1 1 276.428 3.147 20 30 CGEDMO C=CC[C@@H](C)[NH+]1CCC(Cc2n[nH]c(C(C)C)n2)CC1 ZINC000878797576 635632013 /nfs/dbraw/zinc/63/20/13/635632013.db2.gz MQXSTFAZLABMOE-CYBMUJFWSA-N 1 1 276.428 3.147 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000878843906 635641264 /nfs/dbraw/zinc/64/12/64/635641264.db2.gz LZCDMZVYEKBLNZ-NJAFHUGGSA-N 1 1 269.388 3.252 20 30 CGEDMO C=C/C=C\CC[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000878888231 635650425 /nfs/dbraw/zinc/65/04/25/635650425.db2.gz LOAMFJFLQUTJES-CWIOURORSA-N 1 1 267.376 3.071 20 30 CGEDMO C=C/C=C\CC[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000878888231 635650427 /nfs/dbraw/zinc/65/04/27/635650427.db2.gz LOAMFJFLQUTJES-CWIOURORSA-N 1 1 267.376 3.071 20 30 CGEDMO C=CC[N@H+](Cc1cc(C(F)(F)F)co1)[C@@H](C)COC ZINC000878890174 635651535 /nfs/dbraw/zinc/65/15/35/635651535.db2.gz WBWDUNXOAQMWOM-JTQLQIEISA-N 1 1 277.286 3.321 20 30 CGEDMO C=CC[N@@H+](Cc1cc(C(F)(F)F)co1)[C@@H](C)COC ZINC000878890174 635651539 /nfs/dbraw/zinc/65/15/39/635651539.db2.gz WBWDUNXOAQMWOM-JTQLQIEISA-N 1 1 277.286 3.321 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc(C)o2)C1 ZINC000843424271 635667847 /nfs/dbraw/zinc/66/78/47/635667847.db2.gz XLAWHLRPRWPKCK-OAHLLOKOSA-N 1 1 297.402 3.224 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](CCCc2cnccc2C)C1 ZINC000843424091 635667863 /nfs/dbraw/zinc/66/78/63/635667863.db2.gz VLEWPLGDZLYWRI-INIZCTEOSA-N 1 1 256.393 3.058 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ncccc2Br)C1 ZINC000879031980 635686039 /nfs/dbraw/zinc/68/60/39/635686039.db2.gz GRNYVFVBQONHHA-LLVKDONJSA-N 1 1 281.197 3.242 20 30 CGEDMO C#CC[N@@H+](Cc1cnn(CCC)c1)[C@H]1CCc2ccccc21 ZINC000127546869 635714859 /nfs/dbraw/zinc/71/48/59/635714859.db2.gz IRGKBDAKRFSQKB-IBGZPJMESA-N 1 1 293.414 3.416 20 30 CGEDMO C#CC[N@H+](Cc1cnn(CCC)c1)[C@H]1CCc2ccccc21 ZINC000127546869 635714862 /nfs/dbraw/zinc/71/48/62/635714862.db2.gz IRGKBDAKRFSQKB-IBGZPJMESA-N 1 1 293.414 3.416 20 30 CGEDMO C=CC[C@H](C)[N@@H+]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC000879636120 635824191 /nfs/dbraw/zinc/82/41/91/635824191.db2.gz HHSWCPSIFIXOJR-XJKSGUPXSA-N 1 1 261.365 3.033 20 30 CGEDMO C[N@@H+](Cc1ccc2cc[nH]c2c1)[C@@H]1CC[C@@H](C#N)C1 ZINC000879724867 635843178 /nfs/dbraw/zinc/84/31/78/635843178.db2.gz QIQUUMCJLIBNEG-IUODEOHRSA-N 1 1 253.349 3.292 20 30 CGEDMO C[N@@H+](Cc1ccc2cc[nH]c2c1)CC1(CC#N)CC1 ZINC000879728242 635844042 /nfs/dbraw/zinc/84/40/42/635844042.db2.gz NCEHCMMORBDCOD-UHFFFAOYSA-N 1 1 253.349 3.294 20 30 CGEDMO CCOc1ccc(/C=N/CCC[N@@H+](C)CC(C)C)c(O)c1 ZINC000844271060 635852070 /nfs/dbraw/zinc/85/20/70/635852070.db2.gz LHWQJMGDIWGCJU-LDADJPATSA-N 1 1 292.423 3.188 20 30 CGEDMO Cc1cncc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)o2)c1 ZINC000879752385 635856199 /nfs/dbraw/zinc/85/61/99/635856199.db2.gz PKMLQRLYHJFNLN-INIZCTEOSA-N 1 1 267.332 3.192 20 30 CGEDMO Cc1cncc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)o2)c1 ZINC000879752385 635856203 /nfs/dbraw/zinc/85/62/03/635856203.db2.gz PKMLQRLYHJFNLN-INIZCTEOSA-N 1 1 267.332 3.192 20 30 CGEDMO C[N@@H+](C[C@H](O)c1cccc(C#N)c1)[C@H]1C=CCCCCC1 ZINC000844370760 635882336 /nfs/dbraw/zinc/88/23/36/635882336.db2.gz JDADALWTUUEFMH-ROUUACIJSA-N 1 1 284.403 3.412 20 30 CGEDMO CC(C)c1cc([C@@H]2CCC[N@H+]([C@H](C)CCC#N)C2)[nH]n1 ZINC000879919287 635882576 /nfs/dbraw/zinc/88/25/76/635882576.db2.gz PHGKIMVBMDESHZ-ZIAGYGMSSA-N 1 1 274.412 3.405 20 30 CGEDMO CC(C)c1cc([C@@H]2CCC[N@@H+]([C@H](C)CCC#N)C2)n[nH]1 ZINC000879919287 635882581 /nfs/dbraw/zinc/88/25/81/635882581.db2.gz PHGKIMVBMDESHZ-ZIAGYGMSSA-N 1 1 274.412 3.405 20 30 CGEDMO CC(C)c1cc([C@@H]2CCC[N@H+]([C@H](C)CCC#N)C2)n[nH]1 ZINC000879919287 635882586 /nfs/dbraw/zinc/88/25/86/635882586.db2.gz PHGKIMVBMDESHZ-ZIAGYGMSSA-N 1 1 274.412 3.405 20 30 CGEDMO COc1ccccc1[C@H]1CSCCC[N@H+]1CCCC#N ZINC000880173919 635928376 /nfs/dbraw/zinc/92/83/76/635928376.db2.gz PXLSZPMBPNVGPG-OAHLLOKOSA-N 1 1 290.432 3.479 20 30 CGEDMO CCCC(N)=[NH+]OCc1c(Cl)ccc2cccnc21 ZINC000105605980 635959688 /nfs/dbraw/zinc/95/96/88/635959688.db2.gz HIWZKGSHHSXXPB-UHFFFAOYSA-N 1 1 277.755 3.477 20 30 CGEDMO C[C@]1(c2ccccc2)CCC[N@H+]1Cc1ccncc1C#N ZINC000880371487 635984897 /nfs/dbraw/zinc/98/48/97/635984897.db2.gz IZNMTUWEBBMTMH-GOSISDBHSA-N 1 1 277.371 3.464 20 30 CGEDMO C=CCCC[C@@H]([NH2+]Cc1cn(C)nn1)c1ccccc1 ZINC000880390660 635992203 /nfs/dbraw/zinc/99/22/03/635992203.db2.gz SLOIYGHUFHCKRD-MRXNPFEDSA-N 1 1 270.380 3.002 20 30 CGEDMO N#Cc1cc(F)ccc1C[NH+]1CCC2(CCCCO2)CC1 ZINC000880454581 636003255 /nfs/dbraw/zinc/00/32/55/636003255.db2.gz FTIHPLJCQUAJGN-UHFFFAOYSA-N 1 1 288.366 3.232 20 30 CGEDMO C=CCC(CC=C)C(=O)OC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000845732641 636089443 /nfs/dbraw/zinc/08/94/43/636089443.db2.gz HFXXXNAQALJWAK-CQSZACIVSA-N 1 1 265.397 3.171 20 30 CGEDMO C=C[C@H](CC(=O)OC[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1 ZINC000845817292 636103127 /nfs/dbraw/zinc/10/31/27/636103127.db2.gz FUTCKEWQKSPPFQ-INMHGKMJSA-N 1 1 287.403 3.230 20 30 CGEDMO C[C@@H]1CCCC[C@H]1C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000846006152 636128144 /nfs/dbraw/zinc/12/81/44/636128144.db2.gz GQQYIQCVGHAAQN-JLSDUUJJSA-N 1 1 286.419 3.350 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1cccc(C(=O)C(F)(F)F)c1 ZINC000846983598 636299972 /nfs/dbraw/zinc/29/99/72/636299972.db2.gz WBZPITHZMMCPIR-GFCCVEGCSA-N 1 1 284.281 3.213 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000846980834 636300297 /nfs/dbraw/zinc/30/02/97/636300297.db2.gz JIISUAJGUBHCCQ-STQMWFEESA-N 1 1 286.297 3.021 20 30 CGEDMO CCc1ccc2c(C[NH2+][C@H](CC)CC#N)cc(=O)oc2c1 ZINC000846993555 636302597 /nfs/dbraw/zinc/30/25/97/636302597.db2.gz OEBCQCPQDAKLFR-CQSZACIVSA-N 1 1 284.359 3.137 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000846996285 636303649 /nfs/dbraw/zinc/30/36/49/636303649.db2.gz WDHWIRWSGAVROI-CQSZACIVSA-N 1 1 284.359 3.192 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2OC)C1 ZINC000847018251 636311074 /nfs/dbraw/zinc/31/10/74/636311074.db2.gz IIBCUEVELOIDAZ-LBPRGKRZSA-N 1 1 263.768 3.194 20 30 CGEDMO C#C[C@H]1CCC[N@H+](CC[C@H](C)OCc2ccccc2)C1 ZINC000847017927 636311197 /nfs/dbraw/zinc/31/11/97/636311197.db2.gz FQDYEHAOBBJORT-IRXDYDNUSA-N 1 1 271.404 3.327 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(OCC)c(OCC)c2)C1 ZINC000847022689 636314090 /nfs/dbraw/zinc/31/40/90/636314090.db2.gz JBWOQCNBRDOTAB-OAHLLOKOSA-N 1 1 287.403 3.329 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000847025708 636316584 /nfs/dbraw/zinc/31/65/84/636316584.db2.gz OJOMAFZYPPTCDF-LBPRGKRZSA-N 1 1 265.303 3.133 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000847026602 636316612 /nfs/dbraw/zinc/31/66/12/636316612.db2.gz QDNIQDOEWQHNSY-CHWSQXEVSA-N 1 1 258.321 3.001 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(C)(C)C)C1 ZINC000847026993 636316699 /nfs/dbraw/zinc/31/66/99/636316699.db2.gz JBKSLKRIOVHLMV-HNNXBMFYSA-N 1 1 298.430 3.268 20 30 CGEDMO C#C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(C)(C)C)C1 ZINC000847026993 636316703 /nfs/dbraw/zinc/31/67/03/636316703.db2.gz JBKSLKRIOVHLMV-HNNXBMFYSA-N 1 1 298.430 3.268 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000847027485 636316896 /nfs/dbraw/zinc/31/68/96/636316896.db2.gz TVVKDJHMHGDIQI-CYBMUJFWSA-N 1 1 297.320 3.473 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000847026514 636317103 /nfs/dbraw/zinc/31/71/03/636317103.db2.gz PTMGATMERHCRTQ-CYBMUJFWSA-N 1 1 297.320 3.473 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc3oc(C(=O)OC)cc3c2)C1 ZINC000847026556 636317413 /nfs/dbraw/zinc/31/74/13/636317413.db2.gz QAGYSYWKMQPEME-CYBMUJFWSA-N 1 1 297.354 3.065 20 30 CGEDMO CC(C)c1c[nH]c(C[NH2+][C@@H](C)c2ccc(C#N)cc2)n1 ZINC000882884466 636447110 /nfs/dbraw/zinc/44/71/10/636447110.db2.gz KKCIMRDGSQTCAO-LBPRGKRZSA-N 1 1 268.364 3.256 20 30 CGEDMO C[C@H](c1noc([C@@H]([NH3+])CCCCC#N)n1)C(C)(C)C ZINC000848623120 636622546 /nfs/dbraw/zinc/62/25/46/636622546.db2.gz FJWMROAQFGOTSQ-MNOVXSKESA-N 1 1 264.373 3.303 20 30 CGEDMO N#CCCCC[C@@H]([NH3+])c1nc([C@@H]2CCC(F)(F)C2)no1 ZINC000848632147 636625304 /nfs/dbraw/zinc/62/53/04/636625304.db2.gz OIWYGNXMRPIJQL-NXEZZACHSA-N 1 1 284.310 3.056 20 30 CGEDMO C=C(CC)COC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000848776836 636655899 /nfs/dbraw/zinc/65/58/99/636655899.db2.gz LCIMNSUMPUHXNC-MRXNPFEDSA-N 1 1 273.376 3.018 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000848923601 636694329 /nfs/dbraw/zinc/69/43/29/636694329.db2.gz GVGZBYJWLYMGOP-CQSZACIVSA-N 1 1 285.387 3.177 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000848923158 636694440 /nfs/dbraw/zinc/69/44/40/636694440.db2.gz ACNBVCXDWHHKPE-YVGNARHYSA-N 1 1 284.359 3.343 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc3cccc(OC)c3o2)C1 ZINC000848924172 636695976 /nfs/dbraw/zinc/69/59/76/636695976.db2.gz WJCALNHIWUWFIG-CYBMUJFWSA-N 1 1 269.344 3.287 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cnc(C(C)(C)C)s2)C1 ZINC000848924513 636696782 /nfs/dbraw/zinc/69/67/82/636696782.db2.gz UJXIAPHHEUTRSL-LBPRGKRZSA-N 1 1 262.422 3.286 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000848925290 636698018 /nfs/dbraw/zinc/69/80/18/636698018.db2.gz RQAOVYGAKLTREU-SFHVURJKSA-N 1 1 299.414 3.232 20 30 CGEDMO CCc1ccc(NCc2ccc(C#N)c(OC)c2)[nH+]c1 ZINC000883384202 636726729 /nfs/dbraw/zinc/72/67/29/636726729.db2.gz NFDHXLKWSYSSNW-UHFFFAOYSA-N 1 1 267.332 3.136 20 30 CGEDMO CCOc1cccc(/C=N/C[C@@H]2CC[N@H+]2C(C)(C)C)c1O ZINC000849170630 636763411 /nfs/dbraw/zinc/76/34/11/636763411.db2.gz NKDFZEMWMWXSPO-BGARDKSCSA-N 1 1 290.407 3.083 20 30 CGEDMO CC(C)CC(N)=[NH+]OCc1ccccc1C(C)(C)C#N ZINC000134089453 636997843 /nfs/dbraw/zinc/99/78/43/636997843.db2.gz UNJIEPLFPLWCNF-UHFFFAOYSA-N 1 1 273.380 3.323 20 30 CGEDMO COc1ccc(C[NH2+]CC2(C#N)CCCCC2)cc1C#N ZINC000850390865 637044032 /nfs/dbraw/zinc/04/40/32/637044032.db2.gz WAZNGBLEPPAGNB-UHFFFAOYSA-N 1 1 283.375 3.131 20 30 CGEDMO C=CCC[C@H]([NH2+]Cc1cn(CC)nn1)c1ccccc1 ZINC000850522531 637101198 /nfs/dbraw/zinc/10/11/98/637101198.db2.gz TVSNECCRLJISTE-INIZCTEOSA-N 1 1 270.380 3.095 20 30 CGEDMO CC(C)(C#N)CCCO[NH+]=C(N)C1CCCCC1 ZINC000135491252 637135742 /nfs/dbraw/zinc/13/57/42/637135742.db2.gz RTEMTTUYMLYXIV-UHFFFAOYSA-N 1 1 251.374 3.185 20 30 CGEDMO CCC[N@H+](Cc1ccccc1)C[C@@H](O)CC1(C#N)CCC1 ZINC000885930830 637317026 /nfs/dbraw/zinc/31/70/26/637317026.db2.gz JANNKWABNUDAFW-KRWDZBQOSA-N 1 1 286.419 3.343 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)C[C@H]1C[C@@]12CCOC2 ZINC000885932815 637318406 /nfs/dbraw/zinc/31/84/06/637318406.db2.gz CNQRGAPPTNMOPH-UKRRQHHQSA-N 1 1 263.406 3.163 20 30 CGEDMO N#CC1(C[C@H](O)C[N@@H+](Cc2cccs2)C2CC2)CCC1 ZINC000885938184 637321729 /nfs/dbraw/zinc/32/17/29/637321729.db2.gz UXMDWEXXPYXPJN-AWEZNQCLSA-N 1 1 290.432 3.157 20 30 CGEDMO C[C@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCC2)Cc2ccccc21 ZINC000885943693 637324430 /nfs/dbraw/zinc/32/44/30/637324430.db2.gz AFXMPGKLPSPOCQ-HOCLYGCPSA-N 1 1 284.403 3.051 20 30 CGEDMO C[C@@H]1CC[N@@H+](C[C@H](O)CC2(C#N)CCC2)[C@@H]2CCCC[C@@H]12 ZINC000885954473 637329702 /nfs/dbraw/zinc/32/97/02/637329702.db2.gz YYFLSVYAFJACAZ-WCXIOVBPSA-N 1 1 290.451 3.332 20 30 CGEDMO CC1CCC([N@@H+](C[C@@H](O)CC2(C#N)CCC2)C2CC2)CC1 ZINC000885958082 637330117 /nfs/dbraw/zinc/33/01/17/637330117.db2.gz DBNQIHIUOJTRMD-DQPZFDDXSA-N 1 1 290.451 3.474 20 30 CGEDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886017015 637365627 /nfs/dbraw/zinc/36/56/27/637365627.db2.gz QGPKLHSTBRYZOB-XHSDSOJGSA-N 1 1 278.440 3.332 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H]1C[C@]12CCOC2 ZINC000886028116 637373904 /nfs/dbraw/zinc/37/39/04/637373904.db2.gz MJQDSJYFKGAJSL-YRXWBPOGSA-N 1 1 296.414 3.185 20 30 CGEDMO Cc1ccc(C)c(C[N@@H+](C)C[C@@H](O)CC2(C#N)CCC2)c1 ZINC000886171347 637446440 /nfs/dbraw/zinc/44/64/40/637446440.db2.gz FFVNRQQTNYGCDZ-KRWDZBQOSA-N 1 1 286.419 3.180 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@H+]2CC[C@H]2c2ccc(F)cc2)CCC1 ZINC000886279466 637481589 /nfs/dbraw/zinc/48/15/89/637481589.db2.gz ZNGJSSUUOMCZAR-CVEARBPZSA-N 1 1 288.366 3.017 20 30 CGEDMO C#CC[N@@H+](Cc1cc(C2CC2)no1)C1CCCCC1 ZINC000851738000 637485352 /nfs/dbraw/zinc/48/53/52/637485352.db2.gz UFFNXMBZYSRDSQ-UHFFFAOYSA-N 1 1 258.365 3.320 20 30 CGEDMO N#CCc1cccc2c1CC[N@@H+](C[C@H]1CC[C@H](C3CC3)O1)C2 ZINC000886302397 637489576 /nfs/dbraw/zinc/48/95/76/637489576.db2.gz LIMOGUNGCWRKAT-IEBWSBKVSA-N 1 1 296.414 3.068 20 30 CGEDMO N#CCc1cccc2c1CC[N@@H+](C[C@@H]1CC[C@@H](C3CC3)O1)C2 ZINC000886302396 637490045 /nfs/dbraw/zinc/49/00/45/637490045.db2.gz LIMOGUNGCWRKAT-HKUYNNGSSA-N 1 1 296.414 3.068 20 30 CGEDMO C[N@H+](Cc1ccc2cc[nH]c2c1)C[C@@H](O)CC1(C#N)CCC1 ZINC000886310963 637493928 /nfs/dbraw/zinc/49/39/28/637493928.db2.gz ZJZLIUVVEQNAFW-INIZCTEOSA-N 1 1 297.402 3.045 20 30 CGEDMO C[C@H]1c2sccc2CC[N@@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886318035 637498058 /nfs/dbraw/zinc/49/80/58/637498058.db2.gz IALHSRRIPRIMKT-JSGCOSHPSA-N 1 1 290.432 3.112 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2coc(-c3cccs3)n2)C1 ZINC000886356352 637511716 /nfs/dbraw/zinc/51/17/16/637511716.db2.gz YJVYDAAHMZLVKQ-GFCCVEGCSA-N 1 1 272.373 3.248 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2coc(-c3ccccc3OC)n2)C1 ZINC000886365333 637516200 /nfs/dbraw/zinc/51/62/00/637516200.db2.gz GFSWRIMUDDOTMZ-AWEZNQCLSA-N 1 1 296.370 3.195 20 30 CGEDMO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886605409 637600066 /nfs/dbraw/zinc/60/00/66/637600066.db2.gz PZGZSQQTBVDZEL-MKBNYLNASA-N 1 1 279.355 3.163 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000852134409 637601981 /nfs/dbraw/zinc/60/19/81/637601981.db2.gz ZHDUZESEWBMRPQ-UHFFFAOYSA-N 1 1 280.803 3.091 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000852134409 637601983 /nfs/dbraw/zinc/60/19/83/637601983.db2.gz ZHDUZESEWBMRPQ-UHFFFAOYSA-N 1 1 280.803 3.091 20 30 CGEDMO CCc1ncc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)o1 ZINC000930158692 637611006 /nfs/dbraw/zinc/61/10/06/637611006.db2.gz PKFLSJYQZUJXTJ-UHFFFAOYSA-N 1 1 293.370 3.398 20 30 CGEDMO CCc1ncc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)o1 ZINC000930158692 637611016 /nfs/dbraw/zinc/61/10/16/637611016.db2.gz PKFLSJYQZUJXTJ-UHFFFAOYSA-N 1 1 293.370 3.398 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](C[C@@H]2CCc3ccccc32)C1 ZINC000852319509 637633477 /nfs/dbraw/zinc/63/34/77/637633477.db2.gz NXUCFTHGTATKSL-HOCLYGCPSA-N 1 1 254.377 3.342 20 30 CGEDMO CC(C)C[C@@H](C)[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852333112 637636848 /nfs/dbraw/zinc/63/68/48/637636848.db2.gz HOPLXHSJIMZQMN-WBVHZDCISA-N 1 1 271.408 3.373 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2nnc(C(C)(C)C)o2)C1 ZINC000852410126 637647175 /nfs/dbraw/zinc/64/71/75/637647175.db2.gz IQUWAVLHIOXZRW-LBPRGKRZSA-N 1 1 263.385 3.155 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2nnc(C(C)(C)C)o2)C1 ZINC000852410126 637647178 /nfs/dbraw/zinc/64/71/78/637647178.db2.gz IQUWAVLHIOXZRW-LBPRGKRZSA-N 1 1 263.385 3.155 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](CC2CCC3(CC2)OCCO3)C1 ZINC000852411908 637649668 /nfs/dbraw/zinc/64/96/68/637649668.db2.gz WFTAUWPQCQVXAE-OAHLLOKOSA-N 1 1 279.424 3.208 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@H](c3ncccn3)C2)cc1C#N ZINC000886690225 637654579 /nfs/dbraw/zinc/65/45/79/637654579.db2.gz RRZCAKPYBPVJLF-INIZCTEOSA-N 1 1 292.386 3.036 20 30 CGEDMO C=CC[N@H+](C[C@H](C)NC(=O)OC(C)(C)C)C(C)(C)C ZINC000852554341 637678122 /nfs/dbraw/zinc/67/81/22/637678122.db2.gz JUMZJTJTAPFXFQ-LBPRGKRZSA-N 1 1 270.417 3.186 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CN(C(=O)OC(C)(C)C)C1 ZINC000852687392 637696470 /nfs/dbraw/zinc/69/64/70/637696470.db2.gz KCESKJZNRADXGV-GASCZTMLSA-N 1 1 292.423 3.036 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)NC(=O)OC(C)(C)C ZINC000852686918 637696577 /nfs/dbraw/zinc/69/65/77/637696577.db2.gz BZKKINRAWFQVQA-MCIONIFRSA-N 1 1 280.412 3.083 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](C[C@H](O)c2cccc3ccccc32)C1 ZINC000852686819 637697029 /nfs/dbraw/zinc/69/70/29/637697029.db2.gz MVDFJSRCAWJQET-ZWKOTPCHSA-N 1 1 280.371 3.109 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](C[C@H](O)c2cccc3ccccc32)C1 ZINC000852686819 637697034 /nfs/dbraw/zinc/69/70/34/637697034.db2.gz MVDFJSRCAWJQET-ZWKOTPCHSA-N 1 1 280.371 3.109 20 30 CGEDMO CCCCCCCCCN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000852708089 637698323 /nfs/dbraw/zinc/69/83/23/637698323.db2.gz QHGWOMCOQIMKCN-SFHVURJKSA-N 1 1 296.499 3.268 20 30 CGEDMO CCCCCCCCCN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000852708089 637698328 /nfs/dbraw/zinc/69/83/28/637698328.db2.gz QHGWOMCOQIMKCN-SFHVURJKSA-N 1 1 296.499 3.268 20 30 CGEDMO CCCCCCCCC[NH+]1CCC(N2CC[C@H](O)C2)CC1 ZINC000852708089 637698329 /nfs/dbraw/zinc/69/83/29/637698329.db2.gz QHGWOMCOQIMKCN-SFHVURJKSA-N 1 1 296.499 3.268 20 30 CGEDMO CCCCCCC[NH2+]C1(C(=O)OC(C)(C)C)CCOCC1 ZINC000852754024 637706870 /nfs/dbraw/zinc/70/68/70/637706870.db2.gz YTZQJSSPXNLHIC-UHFFFAOYSA-N 1 1 299.455 3.437 20 30 CGEDMO N#C[C@H]1CC[C@@H]([N@H+]2Cc3ccccc3OC3(CCC3)C2)C1 ZINC000887150122 637763341 /nfs/dbraw/zinc/76/33/41/637763341.db2.gz YBCRDNDHTOZZIX-GOEBONIOSA-N 1 1 282.387 3.496 20 30 CGEDMO CC#CC[NH2+][C@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC000856778617 638387463 /nfs/dbraw/zinc/38/74/63/638387463.db2.gz OKWPUFJXUBTDGU-MRVPVSSYSA-N 1 1 276.689 3.428 20 30 CGEDMO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccnnc1 ZINC000925602258 638542656 /nfs/dbraw/zinc/54/26/56/638542656.db2.gz STPVTKIGKIDOQB-BBRMVZONSA-N 1 1 266.348 3.172 20 30 CGEDMO C=C(CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)c1ccccc1 ZINC000925637172 638552426 /nfs/dbraw/zinc/55/24/26/638552426.db2.gz YHLDGOROMOODHK-IXDOHACOSA-N 1 1 270.420 3.066 20 30 CGEDMO C#CC[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1ccccc1 ZINC000857859743 638582360 /nfs/dbraw/zinc/58/23/60/638582360.db2.gz WFHDALTWGZALOO-JKSUJKDBSA-N 1 1 265.360 3.141 20 30 CGEDMO Cc1ccc(O[C@H]2CC[N@@H+](CCCC(C)(C)C#N)C2)nc1 ZINC000858034687 638619954 /nfs/dbraw/zinc/61/99/54/638619954.db2.gz CIXIHBABTDKFED-HNNXBMFYSA-N 1 1 287.407 3.173 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858014959 638620625 /nfs/dbraw/zinc/62/06/25/638620625.db2.gz UJQGUSZTPOMGKN-MRXNPFEDSA-N 1 1 272.392 3.378 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858046521 638622005 /nfs/dbraw/zinc/62/20/05/638622005.db2.gz OBWTWXAQFPFWFU-INIZCTEOSA-N 1 1 272.392 3.378 20 30 CGEDMO C=C(C)[C@@H]([NH2+][C@H](C)c1cnnn1C)c1ccc(F)c(F)c1 ZINC000926205837 638740549 /nfs/dbraw/zinc/74/05/49/638740549.db2.gz ILSYRYXYNLYUBR-MEBBXXQBSA-N 1 1 292.333 3.061 20 30 CGEDMO COc1cc([C@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)on1 ZINC000926370644 638767433 /nfs/dbraw/zinc/76/74/33/638767433.db2.gz RMXWEDNRXALJQC-VIFPVBQESA-N 1 1 291.738 3.059 20 30 CGEDMO C[C@H]([NH2+][C@H]1CCCc2cccnc21)c1cccc(C#N)c1O ZINC000927062681 638836628 /nfs/dbraw/zinc/83/66/28/638836628.db2.gz OFQFZFUCSTWYEE-LRDDRELGSA-N 1 1 293.370 3.387 20 30 CGEDMO C=CCn1ncc2ccc(N[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc21 ZINC000927068267 638837535 /nfs/dbraw/zinc/83/75/35/638837535.db2.gz UBCBTJSXHBAEME-CZUORRHYSA-N 1 1 284.407 3.117 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCC[C@H]2c2cccs2)c1 ZINC000929131230 638901687 /nfs/dbraw/zinc/90/16/87/638901687.db2.gz PAWBURXIZSOEMP-AWEZNQCLSA-N 1 1 269.373 3.352 20 30 CGEDMO Cc1cc([C@@H]2CCC[N@H+]2CC2CCC(C#N)CC2)on1 ZINC000929288946 638915627 /nfs/dbraw/zinc/91/56/27/638915627.db2.gz SSYBIRABNRTFLM-NRXISQOPSA-N 1 1 273.380 3.450 20 30 CGEDMO C=CCN(Cc1[nH]c(C)[nH+]c1C)Cc1ccccc1F ZINC000929326145 638918826 /nfs/dbraw/zinc/91/88/26/638918826.db2.gz BUBJFPSYQPVKIT-UHFFFAOYSA-N 1 1 273.355 3.354 20 30 CGEDMO CC(C)C[C@@H]1COCC[N@H+]1CC1CCC(C#N)CC1 ZINC000929644180 638937024 /nfs/dbraw/zinc/93/70/24/638937024.db2.gz OEVBTMJEHDWCIO-UYSNPLJNSA-N 1 1 264.413 3.063 20 30 CGEDMO CCC(CC)C[N@H+](CCC#N)CCc1ccns1 ZINC000929781216 638951361 /nfs/dbraw/zinc/95/13/61/638951361.db2.gz SSASHSWBMBQJGQ-UHFFFAOYSA-N 1 1 265.426 3.337 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)CCc1ccns1 ZINC000929781216 638951363 /nfs/dbraw/zinc/95/13/63/638951363.db2.gz SSASHSWBMBQJGQ-UHFFFAOYSA-N 1 1 265.426 3.337 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+](C)Cc1cccn1C ZINC000929836987 638955688 /nfs/dbraw/zinc/95/56/88/638955688.db2.gz ZBKFCBMJSKBINJ-UHFFFAOYSA-N 1 1 267.376 3.146 20 30 CGEDMO CC(C)OC(=O)[C@H](C)[N@@H+](C)CCCCC1(C#N)CCC1 ZINC000929837809 638956442 /nfs/dbraw/zinc/95/64/42/638956442.db2.gz XBHZMMDJXGZQHG-AWEZNQCLSA-N 1 1 280.412 3.122 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](C(F)F)C2)c1 ZINC000930125825 638976302 /nfs/dbraw/zinc/97/63/02/638976302.db2.gz FWAPYLVDULBCJX-LLVKDONJSA-N 1 1 270.710 3.299 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C(F)F)C2)c1 ZINC000930125825 638976304 /nfs/dbraw/zinc/97/63/04/638976304.db2.gz FWAPYLVDULBCJX-LLVKDONJSA-N 1 1 270.710 3.299 20 30 CGEDMO CC[C@@H]1C[N@@H+](Cc2c(C)cc(C#N)cc2C)CCCO1 ZINC000930318086 638990434 /nfs/dbraw/zinc/99/04/34/638990434.db2.gz ZVKIERVVBQRNKD-MRXNPFEDSA-N 1 1 272.392 3.176 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000930364244 638993214 /nfs/dbraw/zinc/99/32/14/638993214.db2.gz FNKPKDXBNXDOQG-QZTJIDSGSA-N 1 1 284.403 3.319 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C[C@@H]1C ZINC000930638720 639043231 /nfs/dbraw/zinc/04/32/31/639043231.db2.gz ONFBUOGFZPFKKV-XHDPSFHLSA-N 1 1 278.783 3.068 20 30 CGEDMO COCCCC[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000930743037 639062505 /nfs/dbraw/zinc/06/25/05/639062505.db2.gz AXEWGDUMRBONAF-UHFFFAOYSA-N 1 1 266.772 3.070 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](C[C@H]2CCCC3(CCC3)O2)C1 ZINC000930815475 639071728 /nfs/dbraw/zinc/07/17/28/639071728.db2.gz CWLANILGICSIFD-HZPDHXFCSA-N 1 1 261.409 3.214 20 30 CGEDMO Cc1noc([C@H](C)[N@H+](C)CCCCC2(C#N)CCC2)n1 ZINC000930889629 639082544 /nfs/dbraw/zinc/08/25/44/639082544.db2.gz UWEGGWAIDAWLHY-LBPRGKRZSA-N 1 1 276.384 3.235 20 30 CGEDMO Cc1noc([C@H](C)[N@@H+](C)CCCCC2(C#N)CCC2)n1 ZINC000930889629 639082548 /nfs/dbraw/zinc/08/25/48/639082548.db2.gz UWEGGWAIDAWLHY-LBPRGKRZSA-N 1 1 276.384 3.235 20 30 CGEDMO C[C@@]12COC[C@]1(C)C[N@H+](Cc1cc(Cl)cc(C#N)c1)C2 ZINC000930971821 639093663 /nfs/dbraw/zinc/09/36/63/639093663.db2.gz VJMCXEXJBTUTGA-IYBDPMFKSA-N 1 1 290.794 3.070 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000931063814 639106390 /nfs/dbraw/zinc/10/63/90/639106390.db2.gz VRJVAGNNSJRVEN-XQHKEYJVSA-N 1 1 275.314 3.279 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000931506460 639161171 /nfs/dbraw/zinc/16/11/71/639161171.db2.gz ZSEAFSUUSVJYAQ-NEWSRXKRSA-N 1 1 298.430 3.301 20 30 CGEDMO CC(C)(C)[C@H]1CSCC[N@H+]1CC1(CC#N)CC1 ZINC000931591969 639176578 /nfs/dbraw/zinc/17/65/78/639176578.db2.gz FXROMJZSCXIWFL-GFCCVEGCSA-N 1 1 252.427 3.144 20 30 CGEDMO CC[N@@H+](CC1CCC(C#N)CC1)[C@H](CO)c1ccccc1 ZINC000931701346 639191432 /nfs/dbraw/zinc/19/14/32/639191432.db2.gz QBQLOIUMDRHBCI-LEOMRAHMSA-N 1 1 286.419 3.372 20 30 CGEDMO N#Cc1cccc(C[N@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)c1F ZINC000931923938 639233078 /nfs/dbraw/zinc/23/30/78/639233078.db2.gz BIWQCXWDCOMSBQ-MJGOQNOKSA-N 1 1 292.357 3.471 20 30 CGEDMO C#CCCC[N@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000859907033 639252110 /nfs/dbraw/zinc/25/21/10/639252110.db2.gz QKHOXIMLTCPRRB-UHFFFAOYSA-N 1 1 267.294 3.477 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1Cc2ccccc2OC2(CCOCC2)C1 ZINC000932041618 639255048 /nfs/dbraw/zinc/25/50/48/639255048.db2.gz GUNFIXUZTCEBSO-MRXNPFEDSA-N 1 1 299.414 3.232 20 30 CGEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCCC2(CC2)CC1 ZINC000860072773 639279572 /nfs/dbraw/zinc/27/95/72/639279572.db2.gz GZWABOUUXMUCRL-MRXNPFEDSA-N 1 1 298.386 3.038 20 30 CGEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CCCC2(CC2)CC1 ZINC000860072773 639279580 /nfs/dbraw/zinc/27/95/80/639279580.db2.gz GZWABOUUXMUCRL-MRXNPFEDSA-N 1 1 298.386 3.038 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000932204877 639296481 /nfs/dbraw/zinc/29/64/81/639296481.db2.gz SQKHUYVXWHQWTH-CQSZACIVSA-N 1 1 297.427 3.469 20 30 CGEDMO Cn1nccc1[C@H]1CCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000932261096 639303313 /nfs/dbraw/zinc/30/33/13/639303313.db2.gz NXXNNRVQOIDXAE-MRXNPFEDSA-N 1 1 286.423 3.421 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(-c2ccccn2)nc1)C(C)(C)C ZINC000932462448 639337595 /nfs/dbraw/zinc/33/75/95/639337595.db2.gz ZMKTZHKLSKVMFQ-UHFFFAOYSA-N 1 1 279.387 3.377 20 30 CGEDMO CSCC1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000932591858 639363734 /nfs/dbraw/zinc/36/37/34/639363734.db2.gz JFISRKLOWLQFMU-UHFFFAOYSA-N 1 1 278.396 3.272 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000933770319 639487763 /nfs/dbraw/zinc/48/77/63/639487763.db2.gz MQKMDOIACMGTDM-YSCVYTRNSA-N 1 1 282.359 3.343 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000933771250 639489502 /nfs/dbraw/zinc/48/95/02/639489502.db2.gz WUVNMGJGFMWQRG-VNHYZAJKSA-N 1 1 276.405 3.009 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000934334200 639586376 /nfs/dbraw/zinc/58/63/76/639586376.db2.gz TUXBNVWGEIQKFE-HNNXBMFYSA-N 1 1 297.427 3.388 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@H+]1C[C@@H]2CCC[C@@H]2C1)c1ccccc1 ZINC000934344638 639592789 /nfs/dbraw/zinc/59/27/89/639592789.db2.gz FMMBZZDBKPNVSE-ZIFCJYIRSA-N 1 1 296.414 3.159 20 30 CGEDMO CC#CC[NH+]1CCC(C(=O)c2ccccc2Cl)CC1 ZINC000934422017 639604352 /nfs/dbraw/zinc/60/43/52/639604352.db2.gz WNRZGXKPPCDTGI-UHFFFAOYSA-N 1 1 275.779 3.258 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1cccc(C(=O)N(C)C)c1 ZINC000934649219 639650449 /nfs/dbraw/zinc/65/04/49/639650449.db2.gz OIRKRIRABKAXJS-UHFFFAOYSA-N 1 1 274.408 3.177 20 30 CGEDMO C=CCCC[N@H+](CC)C[C@@H](O)c1ccccc1F ZINC000934649223 639650580 /nfs/dbraw/zinc/65/05/80/639650580.db2.gz OJOIVUUDXMCPNN-OAHLLOKOSA-N 1 1 251.345 3.147 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)C(=O)Nc1cccnc1Cl ZINC000934648403 639650748 /nfs/dbraw/zinc/65/07/48/639650748.db2.gz OAUKINYEHRNESQ-GFCCVEGCSA-N 1 1 295.814 3.350 20 30 CGEDMO C[C@]12CSC[C@H]1C[N@H+](Cc1ccc(Cl)cc1C#N)C2 ZINC000934766734 639672459 /nfs/dbraw/zinc/67/24/59/639672459.db2.gz SXIRFBOUIYIFCR-HIFRSBDPSA-N 1 1 292.835 3.397 20 30 CGEDMO C[C@]12CSC[C@H]1C[N@@H+](Cc1ccc(Cl)cc1C#N)C2 ZINC000934766734 639672462 /nfs/dbraw/zinc/67/24/62/639672462.db2.gz SXIRFBOUIYIFCR-HIFRSBDPSA-N 1 1 292.835 3.397 20 30 CGEDMO C=C(C)c1cccc(NC(=O)NCCn2cc[nH+]c2C)c1 ZINC000934876842 639696025 /nfs/dbraw/zinc/69/60/25/639696025.db2.gz HAFUMYUVGVKWKJ-UHFFFAOYSA-N 1 1 284.363 3.046 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N(C)[C@H]2CCC[N@@H+](C)C2)c1 ZINC000934886937 639703185 /nfs/dbraw/zinc/70/31/85/639703185.db2.gz NSDYIKKVOFGKQN-INIZCTEOSA-N 1 1 287.407 3.278 20 30 CGEDMO Cc1cc(O)c(C[N@@H+](CCC#N)CC2CC2)cc1C ZINC000078493366 640318301 /nfs/dbraw/zinc/31/83/01/640318301.db2.gz DWLVCGTZVUKCII-UHFFFAOYSA-N 1 1 258.365 3.135 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccc(N2CCCCC2)cc1 ZINC000191757454 640329668 /nfs/dbraw/zinc/32/96/68/640329668.db2.gz GNIXFNRALXNRHQ-UHFFFAOYSA-N 1 1 288.435 3.311 20 30 CGEDMO NC(CCc1ccccc1)=[NH+]OCc1cc(F)ccc1F ZINC000195712464 640593830 /nfs/dbraw/zinc/59/38/30/640593830.db2.gz CEWVGSCDPQIRJC-UHFFFAOYSA-N 1 1 290.313 3.386 20 30 CGEDMO C=CCn1c(C)nn(C[N@@H+]2C[C@@H](C)CCC[C@H]2C)c1=S ZINC000247020337 640707519 /nfs/dbraw/zinc/70/75/19/640707519.db2.gz PCWGJKLWTIPUMC-QWHCGFSZSA-N 1 1 294.468 3.377 20 30 CGEDMO C=CCn1c(C)nn(C[N@H+]2C[C@@H](C)CCC[C@H]2C)c1=S ZINC000247020337 640707524 /nfs/dbraw/zinc/70/75/24/640707524.db2.gz PCWGJKLWTIPUMC-QWHCGFSZSA-N 1 1 294.468 3.377 20 30 CGEDMO C#CCCOc1ccc(C[N@H+](C)Cc2ccccc2O)cc1 ZINC000091974445 640728238 /nfs/dbraw/zinc/72/82/38/640728238.db2.gz KGCMGRAEBYEFOB-UHFFFAOYSA-N 1 1 295.382 3.426 20 30 CGEDMO N#Cc1ccc([C@H](O)C[N@@H+](Cc2ccccc2)C2CC2)cc1 ZINC000305064291 640878216 /nfs/dbraw/zinc/87/82/16/640878216.db2.gz LCSMHWGYNSAENM-LJQANCHMSA-N 1 1 292.382 3.256 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2cc(C)c(C)o2)C1 ZINC001007118527 640939159 /nfs/dbraw/zinc/93/91/59/640939159.db2.gz BVMAJFPFDRHVFK-OAHLLOKOSA-N 1 1 290.407 3.057 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2cc(C)sc2C)C1 ZINC001007832180 640945491 /nfs/dbraw/zinc/94/54/91/640945491.db2.gz LQJTZPFGGVJLTC-AWEZNQCLSA-N 1 1 292.448 3.135 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C2(C3CCC3)CCC2)C1 ZINC001008084560 640946560 /nfs/dbraw/zinc/94/65/60/640946560.db2.gz UIZBUFNPIATNHQ-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C)cc2)C1 ZINC001009313523 640957204 /nfs/dbraw/zinc/95/72/04/640957204.db2.gz PSGXOQRWINAWCF-QGZVFWFLSA-N 1 1 286.419 3.155 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2Cl)C1 ZINC001009308037 640957744 /nfs/dbraw/zinc/95/77/44/640957744.db2.gz JSKVGBNAIWJIBK-CYBMUJFWSA-N 1 1 292.810 3.110 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001009649149 640960340 /nfs/dbraw/zinc/96/03/40/640960340.db2.gz QAMYKEBXKTZWBN-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001009649151 640960675 /nfs/dbraw/zinc/96/06/75/640960675.db2.gz QAMYKEBXKTZWBN-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CCCC)cc2)C1 ZINC001015178315 640977743 /nfs/dbraw/zinc/97/77/43/640977743.db2.gz HFGATFCDKAAWHL-QGZVFWFLSA-N 1 1 286.419 3.019 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(C)C)s2)C1 ZINC001016361526 640996594 /nfs/dbraw/zinc/99/65/94/640996594.db2.gz FNVLUIHOALQTLT-CYBMUJFWSA-N 1 1 292.448 3.252 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cc3c(cccc3C)o2)C1 ZINC001016369715 640996773 /nfs/dbraw/zinc/99/67/73/640996773.db2.gz VTQCFWPSYHVOTL-CQSZACIVSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(C)C)s2)C1 ZINC001016363572 640996841 /nfs/dbraw/zinc/99/68/41/640996841.db2.gz RBHIMSJWUGCMQI-ZDUSSCGKSA-N 1 1 292.448 3.252 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2(C)CCC(C)CC2)C1 ZINC001016367094 640997103 /nfs/dbraw/zinc/99/71/03/640997103.db2.gz IMYQAPNFYJLXTH-UPTPFMHGSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc3c(cccc3C)o2)C1 ZINC001016369714 640997127 /nfs/dbraw/zinc/99/71/27/640997127.db2.gz VTQCFWPSYHVOTL-AWEZNQCLSA-N 1 1 298.386 3.121 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1CC ZINC001017861148 641017214 /nfs/dbraw/zinc/01/72/14/641017214.db2.gz NXSDLSUJUBZBJL-CALCHBBNSA-N 1 1 298.430 3.114 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1cc(C)ccc1F ZINC001155451097 805583322 /nfs/dbraw/zinc/58/33/22/805583322.db2.gz CDUSRWATKNIBQW-CQSZACIVSA-N 1 1 292.398 3.150 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)Cc1ccsc1C ZINC001155644598 805598550 /nfs/dbraw/zinc/59/85/50/805598550.db2.gz GYILZGRNNFUPML-CYBMUJFWSA-N 1 1 294.464 3.002 20 30 CGEDMO CCOC(CCCNc1ccc(CC#N)c(C)[nH+]1)OCC ZINC001155725980 805608599 /nfs/dbraw/zinc/60/85/99/805608599.db2.gz YCYQNBWULURPKZ-UHFFFAOYSA-N 1 1 291.395 3.047 20 30 CGEDMO C=CCOC(=O)[C@H](CC(C)C)[NH2+][C@H](CC)CCC ZINC001257247409 807067951 /nfs/dbraw/zinc/06/79/51/807067951.db2.gz VRKSTWAPQXNSHY-KGLIPLIRSA-N 1 1 255.402 3.299 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](CC)CCC ZINC001156046629 805646742 /nfs/dbraw/zinc/64/67/42/805646742.db2.gz RCYNPPBALPWQMX-HUUCEWRRSA-N 1 1 268.445 3.215 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)C1CCCC1 ZINC001156306384 805674532 /nfs/dbraw/zinc/67/45/32/805674532.db2.gz PYOKOJYNXJVGOG-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCCNc1ncc(Cl)cc1C#N ZINC001156928912 805756829 /nfs/dbraw/zinc/75/68/29/805756829.db2.gz QUQDDEBWYNWPRW-GFCCVEGCSA-N 1 1 292.814 3.283 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)C1CC1 ZINC001157154059 805785875 /nfs/dbraw/zinc/78/58/75/805785875.db2.gz VOVYMGQJSYBZPS-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)/C(C)=C/CC ZINC001157661908 805847795 /nfs/dbraw/zinc/84/77/95/805847795.db2.gz OMBFFGZJYCYOGQ-XETPBLJFSA-N 1 1 298.858 3.408 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)/C(C)=C/CC ZINC001157661908 805847803 /nfs/dbraw/zinc/84/78/03/805847803.db2.gz OMBFFGZJYCYOGQ-XETPBLJFSA-N 1 1 298.858 3.408 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)C1CC=CC1 ZINC001157762279 805865401 /nfs/dbraw/zinc/86/54/01/805865401.db2.gz VMSBDUZDDQBDHS-QGZVFWFLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@H](C)SC ZINC001157827696 805879045 /nfs/dbraw/zinc/87/90/45/805879045.db2.gz IMNXJPJRIKJDRQ-LSDHHAIUSA-N 1 1 298.496 3.017 20 30 CGEDMO C=CCCCCCCCCNC(=O)N1CC[NH+](CC)CC1 ZINC001251609578 805912065 /nfs/dbraw/zinc/91/20/65/805912065.db2.gz XVOUYPXDJCGCDX-UHFFFAOYSA-N 1 1 295.471 3.250 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)c1cc(C)co1 ZINC001158357460 805945259 /nfs/dbraw/zinc/94/52/59/805945259.db2.gz IJOSFCJLWSOCHK-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](CC)CC(C)C ZINC001158723556 805990433 /nfs/dbraw/zinc/99/04/33/805990433.db2.gz DAMMCLCZJGMSNY-DLBZAZTESA-N 1 1 292.467 3.005 20 30 CGEDMO Cc1[nH+]c(N2CCc3cc(F)c(F)cc3C2)ccc1CC#N ZINC001158809823 806007262 /nfs/dbraw/zinc/00/72/62/806007262.db2.gz YYISUVULDDNYOO-UHFFFAOYSA-N 1 1 299.324 3.297 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@H](O)[C@H](C)C1 ZINC001252123548 806011536 /nfs/dbraw/zinc/01/15/36/806011536.db2.gz IXQDHNAQKMVDQM-IKGGRYGDSA-N 1 1 285.472 3.191 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@H](N(C)C)C1 ZINC001252127538 806013866 /nfs/dbraw/zinc/01/38/66/806013866.db2.gz BFEAFHKMCAKBSH-IAGOWNOFSA-N 1 1 284.488 3.124 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@@H](N(C)C)C1 ZINC001252127538 806013873 /nfs/dbraw/zinc/01/38/73/806013873.db2.gz BFEAFHKMCAKBSH-IAGOWNOFSA-N 1 1 284.488 3.124 20 30 CGEDMO CCCCCCCC[C@@H](O)C[NH+]1CC2(C1)CCCCO2 ZINC001252126534 806014102 /nfs/dbraw/zinc/01/41/02/806014102.db2.gz QFCLVCKSOURLNO-MRXNPFEDSA-N 1 1 283.456 3.353 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC(=O)C(C)(C)C1 ZINC001252129643 806014823 /nfs/dbraw/zinc/01/48/23/806014823.db2.gz ACFPICAQDARCJX-HNNXBMFYSA-N 1 1 283.456 3.399 20 30 CGEDMO CCCCCCCC[C@@H](O)C[NH+]1CCN(CCC)CC1 ZINC001252130141 806015669 /nfs/dbraw/zinc/01/56/69/806015669.db2.gz LTWNZJYHIJCESV-QGZVFWFLSA-N 1 1 284.488 3.126 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+](C)CCSC ZINC001252132309 806017425 /nfs/dbraw/zinc/01/74/25/806017425.db2.gz FDUBSTRBPQWYCB-CQSZACIVSA-N 1 1 261.475 3.393 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CCNC(=O)C2CCCC2)CC1 ZINC001159107365 806041959 /nfs/dbraw/zinc/04/19/59/806041959.db2.gz ZNUIZPDVTOCSAX-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001252554113 806062203 /nfs/dbraw/zinc/06/22/03/806062203.db2.gz BIXQAXAGTOHSAS-HIFRSBDPSA-N 1 1 299.336 3.432 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1c1cc(F)ccc1F ZINC001252599794 806080269 /nfs/dbraw/zinc/08/02/69/806080269.db2.gz JYGLGOLUTMUYEU-CJNGLKHVSA-N 1 1 281.346 3.429 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](C)[C@@H](CCC)C(=O)c1ccccc1 ZINC001252603622 806082789 /nfs/dbraw/zinc/08/27/89/806082789.db2.gz CGCMIJKFBGYOQB-SJORKVTESA-N 1 1 289.419 3.297 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)[C@@H](CCC)C(=O)c1ccccc1 ZINC001252603622 806082800 /nfs/dbraw/zinc/08/28/00/806082800.db2.gz CGCMIJKFBGYOQB-SJORKVTESA-N 1 1 289.419 3.297 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)CC)CC1 ZINC001159325772 806082980 /nfs/dbraw/zinc/08/29/80/806082980.db2.gz NSYLONJHTFZLCL-HNNXBMFYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(Cl)C[N@H+]1CC=C(CCNC(=O)/C(C)=C/CC)CC1 ZINC001159487745 806112643 /nfs/dbraw/zinc/11/26/43/806112643.db2.gz BJJOQFCYLYCROF-WLRTZDKTSA-N 1 1 296.842 3.234 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)/C(C)=C/CC)CC1 ZINC001159487745 806112647 /nfs/dbraw/zinc/11/26/47/806112647.db2.gz BJJOQFCYLYCROF-WLRTZDKTSA-N 1 1 296.842 3.234 20 30 CGEDMO C=C(Cl)C[N@H+]1CC=C(CCNC(=O)[C@@H](C)CCC)CC1 ZINC001159606979 806130449 /nfs/dbraw/zinc/13/04/49/806130449.db2.gz KNBURGFIQUUJKV-ZDUSSCGKSA-N 1 1 298.858 3.314 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)[C@@H](C)CCC)CC1 ZINC001159606979 806130451 /nfs/dbraw/zinc/13/04/51/806130451.db2.gz KNBURGFIQUUJKV-ZDUSSCGKSA-N 1 1 298.858 3.314 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CCN(C(C)C)[C@@H](C)C1 ZINC001253242375 806191755 /nfs/dbraw/zinc/19/17/55/806191755.db2.gz JSTGARKGRACFGY-ROUUACIJSA-N 1 1 296.499 3.288 20 30 CGEDMO C=CCCCCCC[C@H](O)CN1CC[N@@H+](C(C)C)[C@@H](C)C1 ZINC001253242375 806191759 /nfs/dbraw/zinc/19/17/59/806191759.db2.gz JSTGARKGRACFGY-ROUUACIJSA-N 1 1 296.499 3.288 20 30 CGEDMO C=CCCCCCC[C@H](O)CN1CC[N@H+](C(C)C)[C@@H](C)C1 ZINC001253242375 806191762 /nfs/dbraw/zinc/19/17/62/806191762.db2.gz JSTGARKGRACFGY-ROUUACIJSA-N 1 1 296.499 3.288 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+](C)Cc1cncs1 ZINC001253240873 806192040 /nfs/dbraw/zinc/19/20/40/806192040.db2.gz BCKJQEQNDLTSIC-CQSZACIVSA-N 1 1 282.453 3.462 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+](C)Cc1nccs1 ZINC001253241715 806192962 /nfs/dbraw/zinc/19/29/62/806192962.db2.gz ZYPKEWNAEQXHRU-CQSZACIVSA-N 1 1 282.453 3.462 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+](C)Cc1nccs1 ZINC001253241715 806192968 /nfs/dbraw/zinc/19/29/68/806192968.db2.gz ZYPKEWNAEQXHRU-CQSZACIVSA-N 1 1 282.453 3.462 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCC[C@@H]1CF ZINC001253242198 806193029 /nfs/dbraw/zinc/19/30/29/806193029.db2.gz IGRKJALBXVCCEU-HUUCEWRRSA-N 1 1 257.393 3.308 20 30 CGEDMO C=CCCCCCC[C@H](O)CN1CC[C@H]([N@H+](C)C(C)C)C1 ZINC001253243166 806193478 /nfs/dbraw/zinc/19/34/78/806193478.db2.gz SJDQLVLPHMKNNB-ROUUACIJSA-N 1 1 296.499 3.288 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CC[C@H](N(C)C(C)C)C1 ZINC001253243166 806193482 /nfs/dbraw/zinc/19/34/82/806193482.db2.gz SJDQLVLPHMKNNB-ROUUACIJSA-N 1 1 296.499 3.288 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@H](N(C)C(C)C)C1 ZINC001253243166 806193487 /nfs/dbraw/zinc/19/34/87/806193487.db2.gz SJDQLVLPHMKNNB-ROUUACIJSA-N 1 1 296.499 3.288 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[NH2+]Cc1ncc(Cl)cn1 ZINC001253250015 806195462 /nfs/dbraw/zinc/19/54/62/806195462.db2.gz SMZIUDWCNJDYFW-CQSZACIVSA-N 1 1 297.830 3.107 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)/C=C(\C)CC)CC1 ZINC001160031520 806216152 /nfs/dbraw/zinc/21/61/52/806216152.db2.gz YLFZKNJWRGUQHI-NTCAYCPXSA-N 1 1 276.424 3.057 20 30 CGEDMO C=C[C@H](O)C[N@H+]1CCSC[C@@H]1c1cccc2ccccc21 ZINC001253585843 806264996 /nfs/dbraw/zinc/26/49/96/806264996.db2.gz CVGFAQMUZXWONA-MAUKXSAKSA-N 1 1 299.439 3.477 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1CNc1ccc2ccccc2n1 ZINC001160951611 806325415 /nfs/dbraw/zinc/32/54/15/806325415.db2.gz JTUMDSMVCOWFIT-HNNXBMFYSA-N 1 1 267.376 3.297 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1CNc1ccc(C2(C#N)CCC2)cn1 ZINC001160954260 806327706 /nfs/dbraw/zinc/32/77/06/806327706.db2.gz UBHGSLYIUKOADR-INIZCTEOSA-N 1 1 296.418 3.089 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)C(C)(C)C2CC2)CC1 ZINC001160967622 806330483 /nfs/dbraw/zinc/33/04/83/806330483.db2.gz LNBGCLKWCDQXKF-UHFFFAOYSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCCC1=CC[N@@H+](CC(C)C)CC1 ZINC001161121182 806349889 /nfs/dbraw/zinc/34/98/89/806349889.db2.gz AQHPJAPIJVWCPI-SFHVURJKSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC001161161579 806354054 /nfs/dbraw/zinc/35/40/54/806354054.db2.gz PVANBFMBRXLSSS-IAGOWNOFSA-N 1 1 290.451 3.137 20 30 CGEDMO CCCCCCCCCCN(C)C(=O)[C@@H]1[NH2+]CCS1 ZINC001161221829 806358576 /nfs/dbraw/zinc/35/85/76/806358576.db2.gz XILGQNGOOLIPPS-CQSZACIVSA-N 1 1 286.485 3.248 20 30 CGEDMO C=CCOC(=O)[C@H](CC(C)C)[NH2+]C1CCC(F)(F)CC1 ZINC001254210893 806365940 /nfs/dbraw/zinc/36/59/40/806365940.db2.gz FAPSGPXGENBEIG-ZDUSSCGKSA-N 1 1 289.366 3.298 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cccc(Br)c2)C1 ZINC001254557943 806449641 /nfs/dbraw/zinc/44/96/41/806449641.db2.gz TUUOWBBNVOCIJG-AWEZNQCLSA-N 1 1 296.208 3.226 20 30 CGEDMO N#CCC[N@@H+](C1CCCC1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601411 806458860 /nfs/dbraw/zinc/45/88/60/806458860.db2.gz ZIOMPRFGCUEOLA-QGZVFWFLSA-N 1 1 299.374 3.220 20 30 CGEDMO C=CC[N@@H+]([C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(C)(C)C ZINC001254612361 806461714 /nfs/dbraw/zinc/46/17/14/806461714.db2.gz VQUDUBDSJZAPRN-HNNXBMFYSA-N 1 1 274.364 3.349 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccc(CC)s2)C1 ZINC001254644905 806469781 /nfs/dbraw/zinc/46/97/81/806469781.db2.gz BFZOJSRJDGOJRL-LBPRGKRZSA-N 1 1 251.395 3.087 20 30 CGEDMO COc1cccc(-c2nc(C[NH2+][C@@H]3CC[C@H](C#N)C3)co2)c1 ZINC001254659012 806478583 /nfs/dbraw/zinc/47/85/83/806478583.db2.gz YQISPMOFHYRNKV-GXTWGEPZSA-N 1 1 297.358 3.132 20 30 CGEDMO C[N@@H+]([C@@H]1CC[C@@H](C#N)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001254674601 806483640 /nfs/dbraw/zinc/48/36/40/806483640.db2.gz AMRCQDMTVAXAHM-GUDVDZBRSA-N 1 1 297.446 3.275 20 30 CGEDMO CN([C@@H]1CC[C@@H](C#N)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001254674601 806483644 /nfs/dbraw/zinc/48/36/44/806483644.db2.gz AMRCQDMTVAXAHM-GUDVDZBRSA-N 1 1 297.446 3.275 20 30 CGEDMO CN([C@@H]1CC[C@@H](C#N)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001254674601 806483650 /nfs/dbraw/zinc/48/36/50/806483650.db2.gz AMRCQDMTVAXAHM-GUDVDZBRSA-N 1 1 297.446 3.275 20 30 CGEDMO COc1ccc(C2=CC[N@H+]([C@@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC001254676991 806484664 /nfs/dbraw/zinc/48/46/64/806484664.db2.gz PJRWRSBVWMNTPK-RHSMWYFYSA-N 1 1 282.387 3.477 20 30 CGEDMO C=CCOC(=O)N[C@H]1CCC[N@H+]([C@H](CC)CCCC)C1 ZINC001257427890 807152162 /nfs/dbraw/zinc/15/21/62/807152162.db2.gz BQQRFRSVHUUILG-LSDHHAIUSA-N 1 1 282.428 3.332 20 30 CGEDMO N#CCC1CN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255136623 806551829 /nfs/dbraw/zinc/55/18/29/806551829.db2.gz MSFBIERIORUXLF-REPLKXPHSA-N 1 1 295.430 3.027 20 30 CGEDMO N#C[C@@H]1CCCN1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255137821 806552542 /nfs/dbraw/zinc/55/25/42/806552542.db2.gz YDJMOXHQUMWMJT-ZSYWTGECSA-N 1 1 295.430 3.170 20 30 CGEDMO CC[C@H](CC#N)N1CCCC[C@@H]1C[C@@H]1CCC[N@H+]1C ZINC001255173410 806567505 /nfs/dbraw/zinc/56/75/05/806567505.db2.gz AANMFQASNZNLRS-OWCLPIDISA-N 1 1 263.429 3.017 20 30 CGEDMO CC[C@H](CC#N)[N@@H+]1CCC[C@H]1c1ccc(C(=O)OC)cc1 ZINC001255177954 806570916 /nfs/dbraw/zinc/57/09/16/806570916.db2.gz ZCXMJTDZUJRWCK-CVEARBPZSA-N 1 1 286.375 3.302 20 30 CGEDMO CC[C@H](CC#N)[N@H+]1CCC[C@H]1c1ccc(C(=O)OC)cc1 ZINC001255177954 806570920 /nfs/dbraw/zinc/57/09/20/806570920.db2.gz ZCXMJTDZUJRWCK-CVEARBPZSA-N 1 1 286.375 3.302 20 30 CGEDMO C=C(Br)C[NH2+][C@H](C)c1cc(C)oc1C ZINC000044730405 798890170 /nfs/dbraw/zinc/89/01/70/798890170.db2.gz VWBPKGWXESICKG-SECBINFHSA-N 1 1 258.159 3.456 20 30 CGEDMO C=C(Br)C[N@@H+](C)[C@@H](C)Cc1ccccc1OC ZINC000075896448 798924275 /nfs/dbraw/zinc/92/42/75/798924275.db2.gz QVDHHVZRSSOTKA-LBPRGKRZSA-N 1 1 298.224 3.467 20 30 CGEDMO C=C(Br)C[N@H+](C)[C@@H](C)Cc1ccccc1OC ZINC000075896448 798924277 /nfs/dbraw/zinc/92/42/77/798924277.db2.gz QVDHHVZRSSOTKA-LBPRGKRZSA-N 1 1 298.224 3.467 20 30 CGEDMO C#C[C@H](C)Nc1ccc(-c2ccc(C(=O)OC)cc2)c(C)[nH+]1 ZINC001163160965 806708386 /nfs/dbraw/zinc/70/83/86/806708386.db2.gz LKIDUCNXCSOZHX-LBPRGKRZSA-N 1 1 294.354 3.277 20 30 CGEDMO C#C[C@H](C)Nc1ccc([C@@H]2CCCC[N@@H+]2CCC)cn1 ZINC001163161278 806709959 /nfs/dbraw/zinc/70/99/59/806709959.db2.gz FEGVPBBXKHVNEX-HOCLYGCPSA-N 1 1 271.408 3.452 20 30 CGEDMO C#CC[N@@H+](Cc1c(O)ccc(Cl)c1F)CC1CC1 ZINC001255731392 806723963 /nfs/dbraw/zinc/72/39/63/806723963.db2.gz DEHOZKUDCGKGGW-UHFFFAOYSA-N 1 1 267.731 3.030 20 30 CGEDMO C#CC[N@H+](Cc1c(O)ccc(Cl)c1F)CC1CC1 ZINC001255731392 806723964 /nfs/dbraw/zinc/72/39/64/806723964.db2.gz DEHOZKUDCGKGGW-UHFFFAOYSA-N 1 1 267.731 3.030 20 30 CGEDMO CCCCCCCCCCCC[N@H+]1C[C@@H](O)[C@H](CO)C1 ZINC000317633928 799244887 /nfs/dbraw/zinc/24/48/87/799244887.db2.gz JGRPYADTDKYBJJ-DLBZAZTESA-N 1 1 285.472 3.192 20 30 CGEDMO CC[C@H](CC#N)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000390714567 799473075 /nfs/dbraw/zinc/47/30/75/799473075.db2.gz BTLNTBLQTYEVEH-QZTJIDSGSA-N 1 1 285.435 3.180 20 30 CGEDMO C[C@H]1C[C@@H](NCC#CC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000398175862 799528091 /nfs/dbraw/zinc/52/80/91/799528091.db2.gz VUDMAHIDVHSXQP-FUHWJXTLSA-N 1 1 284.447 3.289 20 30 CGEDMO C[C@H]1C[C@@H](NCC#CC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000398175862 799528095 /nfs/dbraw/zinc/52/80/95/799528095.db2.gz VUDMAHIDVHSXQP-FUHWJXTLSA-N 1 1 284.447 3.289 20 30 CGEDMO C=CCCSCC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000696138786 799837243 /nfs/dbraw/zinc/83/72/43/799837243.db2.gz IKXGZBIPLVULSJ-NSHDSACASA-N 1 1 269.385 3.491 20 30 CGEDMO N#Cc1ccc(N2CCC[N@H+](C3CCCCCC3)CC2)nc1 ZINC001255891993 806784384 /nfs/dbraw/zinc/78/43/84/806784384.db2.gz ABXCCPDNQFFODP-UHFFFAOYSA-N 1 1 298.434 3.188 20 30 CGEDMO C[C@@]1(C(F)(F)F)CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000708721325 799993599 /nfs/dbraw/zinc/99/35/99/799993599.db2.gz VGPXNENHZOUZAS-CYBMUJFWSA-N 1 1 286.272 3.472 20 30 CGEDMO C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000708721325 799993602 /nfs/dbraw/zinc/99/36/02/799993602.db2.gz VGPXNENHZOUZAS-CYBMUJFWSA-N 1 1 286.272 3.472 20 30 CGEDMO C[C@@H]1C[C@@H](C[N@@H+](C)Cc2cccc(C#N)c2)C[C@H](C)O1 ZINC000724864719 800368922 /nfs/dbraw/zinc/36/89/22/800368922.db2.gz UNHQJWJTICCLQR-XOIINTDNSA-N 1 1 272.392 3.194 20 30 CGEDMO C=C[C@@H](Nc1ccc([N@@H+](C)CCCC)cc1)C(=O)OC ZINC000799978028 800395695 /nfs/dbraw/zinc/39/56/95/800395695.db2.gz UIZIWEBPXWBMTL-OAHLLOKOSA-N 1 1 276.380 3.062 20 30 CGEDMO C=C[C@@H](Nc1ccc([N@H+](C)CCCC)cc1)C(=O)OC ZINC000799978028 800395704 /nfs/dbraw/zinc/39/57/04/800395704.db2.gz UIZIWEBPXWBMTL-OAHLLOKOSA-N 1 1 276.380 3.062 20 30 CGEDMO C#Cc1ccc(C[N@H+](Cc2ccco2)C[C@H]2CCCO2)cc1 ZINC000809551730 800445168 /nfs/dbraw/zinc/44/51/68/800445168.db2.gz GQFXKVPODAANRY-LJQANCHMSA-N 1 1 295.382 3.442 20 30 CGEDMO Cc1nc2c(o1)CCC[C@@H]2[NH2+]Cc1ccc(C#N)cc1 ZINC000826779462 800477604 /nfs/dbraw/zinc/47/76/04/800477604.db2.gz KMWKNIDDEKWFNU-AWEZNQCLSA-N 1 1 267.332 3.022 20 30 CGEDMO COc1cccc(C[C@H](C)[N@H+]2CCC[C@@H](C#N)CC2)c1 ZINC001256167039 806841777 /nfs/dbraw/zinc/84/17/77/806841777.db2.gz GYVNWAVNLRUDHS-LSDHHAIUSA-N 1 1 272.392 3.252 20 30 CGEDMO COc1cccc(C[C@H](C)[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1 ZINC001256166219 806843234 /nfs/dbraw/zinc/84/32/34/806843234.db2.gz APRHFRFTWATYKN-QSPRXWTASA-N 1 1 284.403 3.393 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)c2cscc2C)C1 ZINC001023290791 800707932 /nfs/dbraw/zinc/70/79/32/800707932.db2.gz BOXRRIGORTWCLG-CQSZACIVSA-N 1 1 292.448 3.074 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)C2CCC(=C)CC2)C1 ZINC001023571526 800712186 /nfs/dbraw/zinc/71/21/86/800712186.db2.gz MYAODFAWMSHVER-MRXNPFEDSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C)o1 ZINC001024318290 800724441 /nfs/dbraw/zinc/72/44/41/800724441.db2.gz DGBUDYXFLAONBK-OAHLLOKOSA-N 1 1 290.407 3.139 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccoc1Cl ZINC001024415654 800728545 /nfs/dbraw/zinc/72/85/45/800728545.db2.gz ZJQMBFASRVDRMA-LBPRGKRZSA-N 1 1 296.798 3.093 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC1CC1 ZINC001025189514 800746780 /nfs/dbraw/zinc/74/67/80/800746780.db2.gz QOPSTHONNPTRDI-IRXDYDNUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC(C)C ZINC001025196019 800748858 /nfs/dbraw/zinc/74/88/58/800748858.db2.gz PYDLUNUBSLDXCO-DLBZAZTESA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)/C(C)=C/C ZINC001025219506 800749879 /nfs/dbraw/zinc/74/98/79/800749879.db2.gz XJKWJXHSOBSORS-LKNSVJLYSA-N 1 1 290.451 3.374 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1(C)CCC1 ZINC001025260624 800751722 /nfs/dbraw/zinc/75/17/22/800751722.db2.gz YPHCMBVXEXUCJU-HZPDHXFCSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2)C1 ZINC001025315149 800754215 /nfs/dbraw/zinc/75/42/15/800754215.db2.gz ZEIIALDGOCCGAP-WBVHZDCISA-N 1 1 286.419 3.093 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CCCC2)C1 ZINC001025321471 800754778 /nfs/dbraw/zinc/75/47/78/800754778.db2.gz XGCMLLGLLXZOLU-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CCCC2)C1 ZINC001025320658 800755556 /nfs/dbraw/zinc/75/55/56/800755556.db2.gz OPXCQYKIUZMSNP-UKRRQHHQSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)CCC2CCC2)C1 ZINC001027357842 800793113 /nfs/dbraw/zinc/79/31/13/800793113.db2.gz FKKFPLDITOSADV-OAHLLOKOSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)CCC2CCC2)C1 ZINC001027357842 800793116 /nfs/dbraw/zinc/79/31/16/800793116.db2.gz FKKFPLDITOSADV-OAHLLOKOSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2oc(C)cc2C)C1 ZINC001027356664 800793754 /nfs/dbraw/zinc/79/37/54/800793754.db2.gz MBOYORZXLSNUQX-HNNXBMFYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)CC2CC2)C1 ZINC001027424567 800795099 /nfs/dbraw/zinc/79/50/99/800795099.db2.gz AXODDUMIGRUNGC-AWEZNQCLSA-N 1 1 298.858 3.098 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2sccc2Cl)C1 ZINC001027422447 800795274 /nfs/dbraw/zinc/79/52/74/800795274.db2.gz HQKNDFYINUWZCY-NSHDSACASA-N 1 1 298.839 3.124 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2cscc2Cl)C1 ZINC001027453874 800797126 /nfs/dbraw/zinc/79/71/26/800797126.db2.gz ADNCIRWHAMHKCU-LLVKDONJSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)CC2CCCC2)C1 ZINC001027518780 800799909 /nfs/dbraw/zinc/79/99/09/800799909.db2.gz BFVCSCVREUBBIN-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@]2(C)C=CCC2)C1 ZINC001027531996 800800854 /nfs/dbraw/zinc/80/08/54/800800854.db2.gz UETBVFSBBGOYPT-HOCLYGCPSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@]2(C)C=CCC2)C1 ZINC001027531996 800800860 /nfs/dbraw/zinc/80/08/60/800800860.db2.gz UETBVFSBBGOYPT-HOCLYGCPSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001027563301 800803086 /nfs/dbraw/zinc/80/30/86/800803086.db2.gz IJMKXOJQWPHLMZ-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C2(C)CCCCC2)C1 ZINC001027556171 800804385 /nfs/dbraw/zinc/80/43/85/800804385.db2.gz YPHJSOKZKPLESU-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2coc3ccccc32)C1 ZINC001027702444 800813162 /nfs/dbraw/zinc/81/31/62/800813162.db2.gz DCYMWGDFGPSEAW-AWEZNQCLSA-N 1 1 298.386 3.155 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)C1=CCCCCC1 ZINC001027843136 800821061 /nfs/dbraw/zinc/82/10/61/800821061.db2.gz PXILQKJDOVCWLW-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C1CCC(C(=O)NC[C@H]2CCC[N@H+]2CC2CCC2)CC1 ZINC001028116975 800831082 /nfs/dbraw/zinc/83/10/82/800831082.db2.gz LMUWQLUUONKEKA-QGZVFWFLSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C1CCC(C(=O)NC[C@H]2CCC[N@H+]2C/C=C/Cl)CC1 ZINC001028116040 800832313 /nfs/dbraw/zinc/83/23/13/800832313.db2.gz BIDNLZGEBRFRDC-RUGXIKGKSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C1CCC(C(=O)NC[C@H]2CCC[N@@H+]2C/C=C/Cl)CC1 ZINC001028116040 800832319 /nfs/dbraw/zinc/83/23/19/800832319.db2.gz BIDNLZGEBRFRDC-RUGXIKGKSA-N 1 1 296.842 3.066 20 30 CGEDMO C=Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=C)C)cc1 ZINC001028156126 800833328 /nfs/dbraw/zinc/83/33/28/800833328.db2.gz LKIRXEBHXKPOKN-KRWDZBQOSA-N 1 1 284.403 3.100 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)C2C(C)(C)C2(C)C)C1 ZINC001028467131 800848692 /nfs/dbraw/zinc/84/86/92/800848692.db2.gz XNIWPLUYDHPNFN-CQSZACIVSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](CNC(=O)c2ccccc2C(C)C)C1 ZINC001028584560 800849918 /nfs/dbraw/zinc/84/99/18/800849918.db2.gz ZEBDZRPDQFHNJK-OAHLLOKOSA-N 1 1 286.419 3.048 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001028784435 800852457 /nfs/dbraw/zinc/85/24/57/800852457.db2.gz YPISBWYSKWVPIU-KBPBESRZSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001028784435 800852466 /nfs/dbraw/zinc/85/24/66/800852466.db2.gz YPISBWYSKWVPIU-KBPBESRZSA-N 1 1 298.858 3.003 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](CNC(=O)c2ccoc2C(C)C)C1 ZINC001029013302 800857977 /nfs/dbraw/zinc/85/79/77/800857977.db2.gz WGPPNTVZSHVAON-AWEZNQCLSA-N 1 1 290.407 3.031 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)c2ccc(Cl)cc2C)C1 ZINC001030889515 800899854 /nfs/dbraw/zinc/89/98/54/800899854.db2.gz VHQADFGQGIIIFC-UHFFFAOYSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)c2sccc2C2CC2)C1 ZINC001031352404 800909313 /nfs/dbraw/zinc/90/93/13/800909313.db2.gz IJEDBYMNEYXXDT-UHFFFAOYSA-N 1 1 290.432 3.006 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1C(C)C ZINC001032434108 800927699 /nfs/dbraw/zinc/92/76/99/800927699.db2.gz ABFUMPSXQYTNBN-HOTGVXAUSA-N 1 1 298.430 3.285 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)c1ccccc1 ZINC001032766345 800936460 /nfs/dbraw/zinc/93/64/60/800936460.db2.gz BVAYENCKKVLXGQ-NJAFHUGGSA-N 1 1 298.430 3.041 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2sc(C)cc2C)C1 ZINC001033120069 800953826 /nfs/dbraw/zinc/95/38/26/800953826.db2.gz SOSBQNDLNQTHQM-AWEZNQCLSA-N 1 1 292.448 3.087 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC=CCCC2)C1 ZINC001033185720 800955314 /nfs/dbraw/zinc/95/53/14/800955314.db2.gz UJTAKWZIUVQSDR-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)C2CCCCCCC2)C1 ZINC001033252083 800955749 /nfs/dbraw/zinc/95/57/49/800955749.db2.gz CFHGHTZDYKNOSZ-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccsc2Cl)C1 ZINC001033474943 800966894 /nfs/dbraw/zinc/96/68/94/800966894.db2.gz LNBYCLWCFPFKMQ-LLVKDONJSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(C3CCC3)c2)C1 ZINC001033579791 800967857 /nfs/dbraw/zinc/96/78/57/800967857.db2.gz BMCVCKCYGGMHCW-SFHVURJKSA-N 1 1 298.430 3.286 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CCCC(C)(C)C2)C1 ZINC001033592765 800969318 /nfs/dbraw/zinc/96/93/18/800969318.db2.gz CWMDVPIKRYTIIF-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2oc3ccccc3c2C)C1 ZINC001033640171 800972291 /nfs/dbraw/zinc/97/22/91/800972291.db2.gz PYTCBCHBMUSKGR-CQSZACIVSA-N 1 1 298.386 3.074 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccoc2C(C)C)C1 ZINC001033703266 800977405 /nfs/dbraw/zinc/97/74/05/800977405.db2.gz BJWRKGWDVVLGPA-AWEZNQCLSA-N 1 1 290.407 3.125 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)CC2CCC(C)(C)CC2)C1 ZINC001033722749 800978418 /nfs/dbraw/zinc/97/84/18/800978418.db2.gz MDKZFEGWYUGPKG-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)C2CCC3(CC3)CC2)C1 ZINC001033901032 800987416 /nfs/dbraw/zinc/98/74/16/800987416.db2.gz WURAGLANZAVISM-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(CC)s2)C1 ZINC001033889130 800988126 /nfs/dbraw/zinc/98/81/26/800988126.db2.gz WGYFPHRENHGSSF-ZDUSSCGKSA-N 1 1 292.448 3.033 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)C2CCCCC2)C1 ZINC001034083598 801003204 /nfs/dbraw/zinc/00/32/04/801003204.db2.gz SMZCUDFJGQVGTA-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)C[C@@H]2C=CCC2)C1 ZINC001034090636 801004319 /nfs/dbraw/zinc/00/43/19/801004319.db2.gz LDELLGVDTNEKMF-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2cscc2C)C1 ZINC001034164411 801009465 /nfs/dbraw/zinc/00/94/65/801009465.db2.gz QYYJPJZJBHSUFX-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@]2(C)CC=CCC2)C1 ZINC001034226722 801013680 /nfs/dbraw/zinc/01/36/80/801013680.db2.gz RSJIHEUFDKXVQD-SJLPKXTDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001034319561 801016460 /nfs/dbraw/zinc/01/64/60/801016460.db2.gz HFPCPAMAOPQFPN-SOLBZPMBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@@]2(C)C=CCC2)C1 ZINC001034349746 801017602 /nfs/dbraw/zinc/01/76/02/801017602.db2.gz LJFFOQXNIGAMTK-HOCLYGCPSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@@]2(C)C=CCC2)C1 ZINC001034349746 801017606 /nfs/dbraw/zinc/01/76/06/801017606.db2.gz LJFFOQXNIGAMTK-HOCLYGCPSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC001034350552 801019262 /nfs/dbraw/zinc/01/92/62/801019262.db2.gz IOWKHNINFZKWSX-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)C2CC3(CC3)C2)C1 ZINC001034391901 801024113 /nfs/dbraw/zinc/02/41/13/801024113.db2.gz QZSICPCDFQDLKS-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@H+](CC[C@@H](C)F)C2)C1 ZINC001034389886 801024547 /nfs/dbraw/zinc/02/45/47/801024547.db2.gz VQUZDFJQOZQXTF-HUUCEWRRSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC001034518013 801029762 /nfs/dbraw/zinc/02/97/62/801029762.db2.gz FUEZMGUGUCXDCO-KRWDZBQOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@H+]1CCCC[C@H](NC(=O)c2cccc(C3CC3)c2)C1 ZINC001034543234 801032699 /nfs/dbraw/zinc/03/26/99/801032699.db2.gz FRRZFTPZMZSPMC-SFHVURJKSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)C1(C)CC1)CC2 ZINC001035190966 801055886 /nfs/dbraw/zinc/05/58/86/801055886.db2.gz HNOPRYNQNJZUHQ-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C)CC[C@@H]21 ZINC001036632679 801084443 /nfs/dbraw/zinc/08/44/43/801084443.db2.gz QKZOZFCMXOCZNL-AEFFLSMTSA-N 1 1 298.430 3.108 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C(=C)C)CC[C@H]21 ZINC001036792357 801091103 /nfs/dbraw/zinc/09/11/03/801091103.db2.gz ODCZJNULRAHRMQ-HZPDHXFCSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C)cc3)CC[C@@H]21 ZINC001036879235 801093413 /nfs/dbraw/zinc/09/34/13/801093413.db2.gz JSGBDFDFUOFOCP-MSOLQXFVSA-N 1 1 298.430 3.108 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)c3ccc(C)cc3)CC[C@H]21 ZINC001036878362 801093747 /nfs/dbraw/zinc/09/37/47/801093747.db2.gz VQCMZDGQITVTTG-ZWKOTPCHSA-N 1 1 298.430 3.108 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)c1csc(Cl)c1 ZINC001038774888 801134027 /nfs/dbraw/zinc/13/40/27/801134027.db2.gz BQFZMXHQWCYLBD-GFCCVEGCSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C(C)C)oc1C ZINC001038868269 801134852 /nfs/dbraw/zinc/13/48/52/801134852.db2.gz KKCVWNBMYUQYIA-CQSZACIVSA-N 1 1 290.407 3.092 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001038942767 801138630 /nfs/dbraw/zinc/13/86/30/801138630.db2.gz OZCHHTPQBAKFHC-BRWVUGGUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1sccc1C1CC1 ZINC001038986057 801139861 /nfs/dbraw/zinc/13/98/61/801139861.db2.gz QANMHXRLGWQXPT-CYBMUJFWSA-N 1 1 290.432 3.006 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1sccc1C1CC1 ZINC001038986057 801139867 /nfs/dbraw/zinc/13/98/67/801139867.db2.gz QANMHXRLGWQXPT-CYBMUJFWSA-N 1 1 290.432 3.006 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](C)C(C)C)CC2)C1 ZINC001039166705 801150318 /nfs/dbraw/zinc/15/03/18/801150318.db2.gz BKIUPOBFAZJICR-WBVHZDCISA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C(C)C)C1 ZINC001039190329 801152237 /nfs/dbraw/zinc/15/22/37/801152237.db2.gz LFPAPFVUOANIRR-IRXDYDNUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccsc1 ZINC001039329999 801157739 /nfs/dbraw/zinc/15/77/39/801157739.db2.gz OSXQOQFBCPWAKJ-CABCVRRESA-N 1 1 290.432 3.003 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C=C1CCC1 ZINC001039362750 801160736 /nfs/dbraw/zinc/16/07/36/801160736.db2.gz SJKYSQXGKUMKCK-SJORKVTESA-N 1 1 288.435 3.128 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@](C)(C=C)CC ZINC001039429978 801162579 /nfs/dbraw/zinc/16/25/79/801162579.db2.gz KAJRZOGXDLRSOA-RYRKJORJSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)C1CC1 ZINC001039475194 801163511 /nfs/dbraw/zinc/16/35/11/801163511.db2.gz IRIUISHDHGDWNH-UAGQMJEPSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCC)C2)C1 ZINC001040036481 801170147 /nfs/dbraw/zinc/17/01/47/801170147.db2.gz BNLJZKRNZZHSMF-QGZVFWFLSA-N 1 1 278.440 3.067 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)C3(C)CCCC3)C2)C1 ZINC001041519599 801189933 /nfs/dbraw/zinc/18/99/33/801189933.db2.gz JJSNSLJWRQPXQJ-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[C@@]2(CC[N@H+](CCCC)C2)C1 ZINC001041638071 801192289 /nfs/dbraw/zinc/19/22/89/801192289.db2.gz HONJGZWMBQFMQU-QZTJIDSGSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C1CCC(C(=O)N2CC[C@@]3(CC[N@H+](CCC)C3)C2)CC1 ZINC001041635293 801192442 /nfs/dbraw/zinc/19/24/42/801192442.db2.gz LHEIKCBHLXGTSB-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)C3(CC)CC3)C2)C1 ZINC001041642342 801192685 /nfs/dbraw/zinc/19/26/85/801192685.db2.gz MPIMXUZDEVZUSO-KRWDZBQOSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(C)cc3C)C2)C1 ZINC001041813738 801194610 /nfs/dbraw/zinc/19/46/10/801194610.db2.gz FZIWCJLMAQLBOC-LJQANCHMSA-N 1 1 298.430 3.027 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)CC(C)(C)C)C[C@H]21 ZINC001041927695 801197352 /nfs/dbraw/zinc/19/73/52/801197352.db2.gz INMMOZYATWHKNL-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)C(=C)C)C[C@H]21 ZINC001042183589 801201723 /nfs/dbraw/zinc/20/17/23/801201723.db2.gz LTNLOYJFUPVDGJ-HZPDHXFCSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(C)cc3C)C[C@@H]21 ZINC001042344136 801205108 /nfs/dbraw/zinc/20/51/08/801205108.db2.gz SYSIINDOCUIGNI-WMZOPIPTSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC(C)C)C2 ZINC001045909164 801290825 /nfs/dbraw/zinc/29/08/25/801290825.db2.gz JWBZFECHMPFWTC-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CC1CC1)C2 ZINC001045907837 801291056 /nfs/dbraw/zinc/29/10/56/801291056.db2.gz DMQLUFSZYWRQKM-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)/C(C)=C\C)C2 ZINC001045930651 801295124 /nfs/dbraw/zinc/29/51/24/801295124.db2.gz PHRHIQSWAHFYQY-JZWGVLFKSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)c2cccc(Cl)c2C)C1 ZINC001046334764 801307183 /nfs/dbraw/zinc/30/71/83/801307183.db2.gz VJNISMZQHBXBFY-INIZCTEOSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C1CCC(C(=O)N[C@]2(C)CC[N@H+](CCCC)C2)CC1 ZINC001046594249 801315674 /nfs/dbraw/zinc/31/56/74/801315674.db2.gz FRFJCMIYALLJFP-QGZVFWFLSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(C(F)F)cc2)C1 ZINC001046700778 801320911 /nfs/dbraw/zinc/32/09/11/801320911.db2.gz CNBZXNYDQSIFAW-MRXNPFEDSA-N 1 1 294.345 3.004 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2cc(C)cc(C)c2)C1 ZINC001046797074 801324868 /nfs/dbraw/zinc/32/48/68/801324868.db2.gz SCXJIQBHBIXJBX-GOSISDBHSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2cccc3ccccc32)C1 ZINC001046811161 801326437 /nfs/dbraw/zinc/32/64/37/801326437.db2.gz AMEJDNWRPNTINO-LJQANCHMSA-N 1 1 294.398 3.220 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(C)cc2C)C1 ZINC001046815407 801326732 /nfs/dbraw/zinc/32/67/32/801326732.db2.gz VMTQRGUQWWNDKX-GOSISDBHSA-N 1 1 286.419 3.074 20 30 CGEDMO C#CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc([C@@H](C)CC)cc2)C1 ZINC001046855289 801327290 /nfs/dbraw/zinc/32/72/90/801327290.db2.gz BOSJFPNWAPRBQQ-HNAYVOBHSA-N 1 1 298.430 3.028 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)C(C)(C)C)C[C@H]2C1 ZINC001048982737 801353372 /nfs/dbraw/zinc/35/33/72/801353372.db2.gz YKYRPDBOCBMBEA-GASCZTMLSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CCCC1 ZINC001049280175 801358683 /nfs/dbraw/zinc/35/86/83/801358683.db2.gz MTBHHTYSFPPZHG-SJORKVTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1 ZINC001049295757 801361029 /nfs/dbraw/zinc/36/10/29/801361029.db2.gz GFWYZDDARGZQOW-ZWKOTPCHSA-N 1 1 298.430 3.332 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC(C)(C)C1 ZINC001049454568 801373917 /nfs/dbraw/zinc/37/39/17/801373917.db2.gz QENFLVWSMYWGHH-HZPDHXFCSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1=CCCCCC1 ZINC001049446641 801374276 /nfs/dbraw/zinc/37/42/76/801374276.db2.gz YAWDXHSGCOVNBH-IAGOWNOFSA-N 1 1 288.435 3.128 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)C1CCC1 ZINC001049551769 801375109 /nfs/dbraw/zinc/37/51/09/801375109.db2.gz QOMIDTGASFWNPR-HYVNUMGLSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)C(C)C ZINC001049500752 801376054 /nfs/dbraw/zinc/37/60/54/801376054.db2.gz GAZUCRFXVAWZSG-JKSUJKDBSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1(C)CCCC1 ZINC001049627628 801378355 /nfs/dbraw/zinc/37/83/55/801378355.db2.gz TVRLDWRGVQVTRV-HZPDHXFCSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC1(C)CC1 ZINC001049601900 801378747 /nfs/dbraw/zinc/37/87/47/801378747.db2.gz IXDDOIOTOBMPAW-HZPDHXFCSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC(=C)C ZINC001049644715 801380926 /nfs/dbraw/zinc/38/09/26/801380926.db2.gz KOERWAQJCIZFQL-JKSUJKDBSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)CC ZINC001049680657 801383714 /nfs/dbraw/zinc/38/37/14/801383714.db2.gz KRKILIRDNCNIEX-KGLIPLIRSA-N 1 1 298.858 3.240 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)CC ZINC001049680657 801383721 /nfs/dbraw/zinc/38/37/21/801383721.db2.gz KRKILIRDNCNIEX-KGLIPLIRSA-N 1 1 298.858 3.240 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(C(C)C)CC1 ZINC001049705102 801385786 /nfs/dbraw/zinc/38/57/86/801385786.db2.gz CVYGICJWFBXTPJ-JKSUJKDBSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1c(C)cccc1C ZINC001049743678 801387010 /nfs/dbraw/zinc/38/70/10/801387010.db2.gz RTQYXMPFLHMTLQ-IAGOWNOFSA-N 1 1 298.430 3.168 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C)cc1 ZINC001049866128 801390360 /nfs/dbraw/zinc/39/03/60/801390360.db2.gz ZARYAZNSYYOENI-ZWKOTPCHSA-N 1 1 298.430 3.250 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(C)cc1 ZINC001049860436 801391393 /nfs/dbraw/zinc/39/13/93/801391393.db2.gz BAKQKSYWAXLONN-QZTJIDSGSA-N 1 1 298.430 3.250 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2C=CCC2)CC1 ZINC001052187769 801425009 /nfs/dbraw/zinc/42/50/09/801425009.db2.gz PHRKMBQSZVZQPD-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)=C2CCCC2)CC1 ZINC001052296222 801428447 /nfs/dbraw/zinc/42/84/47/801428447.db2.gz AVQIYNXHADZIOX-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2cscc2C)CC1 ZINC001052281719 801429352 /nfs/dbraw/zinc/42/93/52/801429352.db2.gz ZHFTVBGRUGMKLM-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)C2=CCCCCC2)CC1 ZINC001052335262 801430633 /nfs/dbraw/zinc/43/06/33/801430633.db2.gz WAJCTROVRBFGQA-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)C[C@H]2C=CCCC2)CC1 ZINC001052485871 801436776 /nfs/dbraw/zinc/43/67/76/801436776.db2.gz FILPKPWCIQGPDL-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C2CCC2)CC1 ZINC001052601776 801441328 /nfs/dbraw/zinc/44/13/28/801441328.db2.gz SXDOZAPKQKMOGQ-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2(C)CC=CC2)CC1 ZINC001052682818 801447215 /nfs/dbraw/zinc/44/72/15/801447215.db2.gz ZQQFVOHCZDXGAB-CQSZACIVSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](C[C@H](C)CC)CC2)C1 ZINC001052690796 801447367 /nfs/dbraw/zinc/44/73/67/801447367.db2.gz PPYPGFXSXIUCCR-ZBFHGGJFSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C=C)cc2)CC1 ZINC001052737369 801449551 /nfs/dbraw/zinc/44/95/51/801449551.db2.gz MQRBMMOUVRYZRS-QGZVFWFLSA-N 1 1 284.403 3.100 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(C)cc2)CC1 ZINC001052891170 801455183 /nfs/dbraw/zinc/45/51/83/801455183.db2.gz LZCPOXVEFCATQW-QGZVFWFLSA-N 1 1 286.419 3.155 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C2CCC2)C1 ZINC001053060007 801464511 /nfs/dbraw/zinc/46/45/11/801464511.db2.gz BPZBSRNZSKXDKI-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C2CCC2)C1 ZINC001053060008 801465498 /nfs/dbraw/zinc/46/54/98/801465498.db2.gz BPZBSRNZSKXDKI-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C[C@@H]1C[C@@H](N2CCC[C@H]2C#N)CC[N@H+]1Cc1ccccc1 ZINC001256536752 806912415 /nfs/dbraw/zinc/91/24/15/806912415.db2.gz ISKKJMGVGXYHKH-NJAFHUGGSA-N 1 1 283.419 3.027 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C)CC)C2 ZINC001054089981 801473514 /nfs/dbraw/zinc/47/35/14/801473514.db2.gz RUGXWEZKGNLIMT-CJNGLKHVSA-N 1 1 298.858 3.100 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@]2(CC[N@H+](CC(C)C)C2)C1 ZINC001054175482 801477898 /nfs/dbraw/zinc/47/78/98/801477898.db2.gz OGIXIUSDEVDJLJ-SFHVURJKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+]1Cc2ccc(CNC(=O)[C@H]3CC3(C)C)cc2C1 ZINC001054261288 801484487 /nfs/dbraw/zinc/48/44/87/801484487.db2.gz XGFHDMYMCFOJGQ-QGZVFWFLSA-N 1 1 298.430 3.241 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CC2CCCC2)CC[C@H]1C ZINC001071315462 801526938 /nfs/dbraw/zinc/52/69/38/801526938.db2.gz XWQHGPLTDKFAKM-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2cscc2C)CC[C@H]1C ZINC001071398427 801534115 /nfs/dbraw/zinc/53/41/15/801534115.db2.gz DRNVXKAQBCQUBJ-ZIAGYGMSSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2oc(C)cc2C)CC[C@H]1C ZINC001071409525 801535122 /nfs/dbraw/zinc/53/51/22/801535122.db2.gz YJDAKOVMBXRNHK-HIFRSBDPSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2sccc2Cl)CC[C@H]1C ZINC001071525062 801541598 /nfs/dbraw/zinc/54/15/98/801541598.db2.gz JUCGDMFSXSNFOS-MNOVXSKESA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2sccc2Cl)CC[C@H]1C ZINC001071525062 801541602 /nfs/dbraw/zinc/54/16/02/801541602.db2.gz JUCGDMFSXSNFOS-MNOVXSKESA-N 1 1 298.839 3.170 20 30 CGEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2C(C)C)CC[C@@H]1C ZINC001071550064 801542569 /nfs/dbraw/zinc/54/25/69/801542569.db2.gz XJUDBJNKZASTDA-HOTGVXAUSA-N 1 1 298.430 3.026 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2csc(C)c2C)CC[C@H]1C ZINC001071531841 801542759 /nfs/dbraw/zinc/54/27/59/801542759.db2.gz QXBYVSUNKMFBCL-RISCZKNCSA-N 1 1 292.448 3.134 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)C(C)(C)C2CCC2)CC[C@H]1C ZINC001071708143 801545026 /nfs/dbraw/zinc/54/50/26/801545026.db2.gz AQIWAUNXXJXAMT-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2ccc(CC)o2)CC[C@@H]1C ZINC001071620079 801545046 /nfs/dbraw/zinc/54/50/46/801545046.db2.gz ZRVLULSPOGUPLA-KBPBESRZSA-N 1 1 290.407 3.001 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC(C)C)C2)CC1 ZINC001071795209 801551573 /nfs/dbraw/zinc/55/15/73/801551573.db2.gz JAZCKXYHUQKJNP-RDJZCZTQSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](C/C=C\Cl)C2)C1 ZINC001071802831 801554447 /nfs/dbraw/zinc/55/44/47/801554447.db2.gz CGXUEIPXJLAYTG-ALCJFRFOSA-N 1 1 296.842 3.064 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](C/C=C\Cl)C2)C1 ZINC001071802831 801554452 /nfs/dbraw/zinc/55/44/52/801554452.db2.gz CGXUEIPXJLAYTG-ALCJFRFOSA-N 1 1 296.842 3.064 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CCCC)C2)C1 ZINC001071803352 801554753 /nfs/dbraw/zinc/55/47/53/801554753.db2.gz LAYNMXUMKKZYIF-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(C)cc2)CC[C@H]1C ZINC001072011738 801558146 /nfs/dbraw/zinc/55/81/46/801558146.db2.gz BVNUTCFOELYXNF-WBVHZDCISA-N 1 1 286.419 3.154 20 30 CGEDMO C#CC[N@H+]1C[C@H](NC(=O)c2cccc(C(C)C)c2)CC[C@@H]1C ZINC001071963712 801558573 /nfs/dbraw/zinc/55/85/73/801558573.db2.gz HWQIBLWNNMXARS-MAUKXSAKSA-N 1 1 298.430 3.026 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)CC[C@H]1C ZINC001072004597 801559415 /nfs/dbraw/zinc/55/94/15/801559415.db2.gz BFJNHUKYDZGPJC-QBPKDAKJSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2ccc(C)c(C)c2)CC[C@H]1C ZINC001072044805 801563463 /nfs/dbraw/zinc/56/34/63/801563463.db2.gz NNHVRFPLBZDPFU-NVXWUHKLSA-N 1 1 286.419 3.072 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(F)s2)CC[C@H]1C ZINC001072112651 801565393 /nfs/dbraw/zinc/56/53/93/801565393.db2.gz DEWCFFNIXKCZPG-NEPJUHHUSA-N 1 1 296.411 3.046 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)C(C)(CC)CC)C2)C1 ZINC001073441364 801578398 /nfs/dbraw/zinc/57/83/98/801578398.db2.gz IGQDFJDPQVBWJU-UHFFFAOYSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)C(C)(CC)CC)C2)C1 ZINC001073441364 801578404 /nfs/dbraw/zinc/57/84/04/801578404.db2.gz IGQDFJDPQVBWJU-UHFFFAOYSA-N 1 1 298.858 3.100 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(C(C)C)c2)C1 ZINC001080718810 801654757 /nfs/dbraw/zinc/65/47/57/801654757.db2.gz CXHNPQXBOSCCRY-RHSMWYFYSA-N 1 1 286.419 3.046 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](CCCC)C[C@H]21 ZINC001084372409 801668611 /nfs/dbraw/zinc/66/86/11/801668611.db2.gz TWZYUVZBVWOGNA-ZIAGYGMSSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC2(CC2)C1 ZINC001085594677 801695762 /nfs/dbraw/zinc/69/57/62/801695762.db2.gz MWPZDLNPUCCKDM-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1sc(C)cc1C ZINC001085618510 801699222 /nfs/dbraw/zinc/69/92/22/801699222.db2.gz OPGVAJPIMWJNHU-AWEZNQCLSA-N 1 1 292.448 3.087 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(C2CC2)c1 ZINC001085990860 801716407 /nfs/dbraw/zinc/71/64/07/801716407.db2.gz AFZWENBQESEKFS-GOSISDBHSA-N 1 1 298.430 3.286 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C(C)C)C(C)(C)[C@@H]21 ZINC001087274898 801748799 /nfs/dbraw/zinc/74/87/99/801748799.db2.gz YEDQGRGIUNEXHA-MGPQQGTHSA-N 1 1 298.858 3.000 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C(C)C)C(C)(C)[C@@H]21 ZINC001087274898 801748806 /nfs/dbraw/zinc/74/88/06/801748806.db2.gz YEDQGRGIUNEXHA-MGPQQGTHSA-N 1 1 298.858 3.000 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC=CCC2)[C@H]1CC ZINC001087500744 801753431 /nfs/dbraw/zinc/75/34/31/801753431.db2.gz XJJLMHMJJVTZFJ-IXDOHACOSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CC2CCC2)[C@H]1CC ZINC001087530815 801755322 /nfs/dbraw/zinc/75/53/22/801755322.db2.gz UNXOZGGACBJXFX-JKSUJKDBSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)cs2)[C@H]1CC ZINC001087565312 801756140 /nfs/dbraw/zinc/75/61/40/801756140.db2.gz QXKPSDTWAJHKJD-UONOGXRCSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2sccc2Cl)[C@H]1CC ZINC001087581904 801757200 /nfs/dbraw/zinc/75/72/00/801757200.db2.gz HURDERXMLUKRFA-NWDGAFQWSA-N 1 1 298.839 3.170 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2C=CCCC2)[C@H]1CC ZINC001087621180 801760238 /nfs/dbraw/zinc/76/02/38/801760238.db2.gz KVBBFFGMBKPTGV-YESZJQIVSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2occc2CC)[C@H]1CC ZINC001087714460 801764337 /nfs/dbraw/zinc/76/43/37/801764337.db2.gz OCLWTQVAKYNRIJ-LSDHHAIUSA-N 1 1 290.407 3.001 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2CCC(=C)CC2)[C@H]1C ZINC001088838277 801809906 /nfs/dbraw/zinc/80/99/06/801809906.db2.gz AFFBGMWCVKJRJR-WBVHZDCISA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C=C2CCC2)CC(C)(C)C1 ZINC001089358862 801835641 /nfs/dbraw/zinc/83/56/41/801835641.db2.gz ZWQRFEBNQZUHFX-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C2(C)CC(=C)C2)CC(C)(C)C1 ZINC001089484739 801841565 /nfs/dbraw/zinc/84/15/65/801841565.db2.gz BFELIIVUAWJMNJ-OAHLLOKOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2CC)CC(C)(C)C1 ZINC001089497632 801842052 /nfs/dbraw/zinc/84/20/52/801842052.db2.gz FQYXRRYIUSWZJL-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CCC1 ZINC001089600017 801844236 /nfs/dbraw/zinc/84/42/36/801844236.db2.gz HZUGOYRQCOKTSJ-CQSZACIVSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CCC1 ZINC001089600017 801844244 /nfs/dbraw/zinc/84/42/44/801844244.db2.gz HZUGOYRQCOKTSJ-CQSZACIVSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC(C)(C)C2)[C@H](C)C1 ZINC001092946004 801864663 /nfs/dbraw/zinc/86/46/63/801864663.db2.gz MERUAOFWBSVDFU-OWCLPIDISA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC2(C)C)[C@H](C)C1 ZINC001092894173 801864926 /nfs/dbraw/zinc/86/49/26/801864926.db2.gz SWJSGDJYSFAEMG-OAGGEKHMSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)c3ccccc3C)CCC[C@@H]12 ZINC001094354395 801871111 /nfs/dbraw/zinc/87/11/11/801871111.db2.gz UEBAKKQUTFYCNN-IEBWSBKVSA-N 1 1 298.430 3.155 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CCC)C2 ZINC001095732587 801885300 /nfs/dbraw/zinc/88/53/00/801885300.db2.gz LSJHWBGTVYXLHK-NJAFHUGGSA-N 1 1 298.430 3.160 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[C@H]1CCC)C2 ZINC001095981999 801888225 /nfs/dbraw/zinc/88/82/25/801888225.db2.gz QHLHVDZFJYNVJO-MTSZKFMLSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccs1)C2 ZINC001096752686 801894436 /nfs/dbraw/zinc/89/44/36/801894436.db2.gz CAFGSBGCSVXPCT-MCIONIFRSA-N 1 1 290.432 3.049 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC=CCCC1)C2 ZINC001097319090 801899586 /nfs/dbraw/zinc/89/95/86/801899586.db2.gz AKQFKZURXJEXBC-HZMVEIRTSA-N 1 1 288.435 3.030 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC(C)(C)C1)C2 ZINC001097701414 801903306 /nfs/dbraw/zinc/90/33/06/801903306.db2.gz FFHARDCQTWFMBP-OAGGEKHMSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(CC)cc1)C2 ZINC001098317203 801910625 /nfs/dbraw/zinc/91/06/25/801910625.db2.gz LWBHUFOOVPJBNF-KURKYZTESA-N 1 1 298.430 3.160 20 30 CGEDMO C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC1CCCC1 ZINC001098874119 801917877 /nfs/dbraw/zinc/91/78/77/801917877.db2.gz VZDUIYZAGGZICL-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)/C(C)=C/CC ZINC001098944009 801921796 /nfs/dbraw/zinc/92/17/96/801921796.db2.gz HEPHMQJZQJXQSX-NHXNDTTKSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC ZINC001099189654 801932530 /nfs/dbraw/zinc/93/25/30/801932530.db2.gz VMEVFZOHEYDURF-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C/C=C(/C)C=C ZINC001099181520 801932542 /nfs/dbraw/zinc/93/25/42/801932542.db2.gz AOKSGDGYIQWMLU-MVMZHWFQSA-N 1 1 290.451 3.302 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1(CC)CCC1 ZINC001099188003 801933047 /nfs/dbraw/zinc/93/30/47/801933047.db2.gz AYQDWGRPAXPODD-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCC ZINC001099204265 801934161 /nfs/dbraw/zinc/93/41/61/801934161.db2.gz XZUDANVQDUHAJU-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCF ZINC001099214178 801934909 /nfs/dbraw/zinc/93/49/09/801934909.db2.gz HSKVGGYUNXRVQZ-PBHICJAKSA-N 1 1 298.446 3.165 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCF ZINC001099214178 801934913 /nfs/dbraw/zinc/93/49/13/801934913.db2.gz HSKVGGYUNXRVQZ-PBHICJAKSA-N 1 1 298.446 3.165 20 30 CGEDMO C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCCCC ZINC001099325028 801935861 /nfs/dbraw/zinc/93/58/61/801935861.db2.gz RCCFHRXBKXRPJR-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1C[C@H]2C[N@@H+](CC(C)C)C[C@@]2(C)C1 ZINC001101337871 801975774 /nfs/dbraw/zinc/97/57/74/801975774.db2.gz OOARXLZXFJOKDH-JZXOWHBKSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)CC(C)(C)CC)C[C@]2(C)C1 ZINC001101251835 801976374 /nfs/dbraw/zinc/97/63/74/801976374.db2.gz NKILFXWZPNSYBV-QAPCUYQASA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CN(C(=O)CCCC(C)C)C[C@]2(C)C1 ZINC001101371748 801977087 /nfs/dbraw/zinc/97/70/87/801977087.db2.gz OPDLGZXLTMTHST-AEFFLSMTSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CN(C(=O)CCCCCC)C[C@]2(C)C1 ZINC001101453111 801979567 /nfs/dbraw/zinc/97/95/67/801979567.db2.gz WCEMJJOLBYDWAV-AEFFLSMTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](CNC(=O)CC(C)(C)C)[C@H](C)C1 ZINC001101726296 801988699 /nfs/dbraw/zinc/98/86/99/801988699.db2.gz ORBHWNVVEZZZMA-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C(F)=C(C)C)[C@H](C)C1 ZINC001101876501 801995623 /nfs/dbraw/zinc/99/56/23/801995623.db2.gz SXPUCRORRYGZJM-QLFBSQMISA-N 1 1 296.430 3.289 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](CNC(=O)C[C@@H](CC)CCCC)[C@H](C)C1 ZINC001102167250 801999170 /nfs/dbraw/zinc/99/91/70/801999170.db2.gz UVBQQSAYEMHDBW-IXDOHACOSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](C[C@@H](F)CC)C[C@H]1C ZINC001102219539 802000295 /nfs/dbraw/zinc/00/02/95/802000295.db2.gz LVCWYIPTGUTRKG-KFWWJZLASA-N 1 1 298.446 3.021 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1C[N@@H+](CCCCCC)C[C@H]1C ZINC001102229942 802000486 /nfs/dbraw/zinc/00/04/86/802000486.db2.gz LAJWVCGRIGAKGD-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](CCCC)C[C@H]1C ZINC001102261076 802001892 /nfs/dbraw/zinc/00/18/92/802001892.db2.gz MZZIGALYKAZIHC-BZUAXINKSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H](CNC(=O)CCCF)[C@H](C)C1 ZINC001102241150 802002068 /nfs/dbraw/zinc/00/20/68/802002068.db2.gz HHVWDEQRTCRDFB-HZPDHXFCSA-N 1 1 298.446 3.167 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)C2(CCC)CC2)[C@H](C)C1 ZINC001102342024 802006026 /nfs/dbraw/zinc/00/60/26/802006026.db2.gz FFNKYAJQEHNRLD-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](CNC(=O)C[C@@H](C)CC(C)(C)C)[C@H](C)C1 ZINC001102400217 802007748 /nfs/dbraw/zinc/00/77/48/802007748.db2.gz AGCPAMRZLQNEBC-BZUAXINKSA-N 1 1 294.483 3.319 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)CCC)C1 ZINC001102758453 802020423 /nfs/dbraw/zinc/02/04/23/802020423.db2.gz ICZWKKGBNWVHBC-BRWVUGGUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](CC(C)C)C[C@H]1C ZINC001103306435 802028922 /nfs/dbraw/zinc/02/89/22/802028922.db2.gz HIVUFPWHJXQHCC-HZPDHXFCSA-N 1 1 294.483 3.319 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCC[C@@H]1C[N@@H+](CC2CC2)C[C@H]1C ZINC001103401613 802032346 /nfs/dbraw/zinc/03/23/46/802032346.db2.gz HYBZTHUJCJHLME-KYJSFNMBSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(CC)CC2)C1 ZINC001103406360 802032480 /nfs/dbraw/zinc/03/24/80/802032480.db2.gz CXQACNOFBWBAPR-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC2(C)C)C1 ZINC001103349466 802033014 /nfs/dbraw/zinc/03/30/14/802033014.db2.gz CSIVQEJQMZJJEL-BZUAXINKSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](CC)C(C)C)C1 ZINC001103655162 802036916 /nfs/dbraw/zinc/03/69/16/802036916.db2.gz SJUYXZKRSIOEPY-BRWVUGGUSA-N 1 1 294.483 3.319 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC2(C)CC2)C1 ZINC001103603522 802037390 /nfs/dbraw/zinc/03/73/90/802037390.db2.gz ZVMCDOUFTCSNMI-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC1(C(=O)NCC[C@@H]2C[N@@H+](CC)C[C@H]2C)CCCC1 ZINC001103787593 802038588 /nfs/dbraw/zinc/03/85/88/802038588.db2.gz DIJMGHGVQNTOPT-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)C=C(C)C)CCC[C@@H]12 ZINC001107273366 802083233 /nfs/dbraw/zinc/08/32/33/802083233.db2.gz LMOTUGNMMSPTHV-GDBMZVCRSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC(=C)C)CC2 ZINC001107326644 802085908 /nfs/dbraw/zinc/08/59/08/802085908.db2.gz CTFYTLFZSIRECV-SJLPKXTDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(CNC(=O)C=C3CCC3)CCC[C@@H]12 ZINC001107360607 802086955 /nfs/dbraw/zinc/08/69/55/802086955.db2.gz TWBWOHOQYLHQRA-SJLPKXTDSA-N 1 1 288.435 3.034 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](C)CC ZINC001109350857 802114237 /nfs/dbraw/zinc/11/42/37/802114237.db2.gz GVQZEMRWTDTUMP-WCVJEAGWSA-N 1 1 278.440 3.110 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C(C)(C)C)C2 ZINC001109451223 802116920 /nfs/dbraw/zinc/11/69/20/802116920.db2.gz HEJXWQOJDFMQRM-FZKCQIBNSA-N 1 1 292.467 3.356 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(C)C ZINC001109679344 802123741 /nfs/dbraw/zinc/12/37/41/802123741.db2.gz XEOVYZOSTZCVRV-CVYDXHPNSA-N 1 1 290.451 3.276 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCCC(C)C)C2 ZINC001109863174 802125065 /nfs/dbraw/zinc/12/50/65/802125065.db2.gz ITGWSCURUVEBQT-PMPSAXMXSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(C)C)C2 ZINC001110251231 802134340 /nfs/dbraw/zinc/13/43/40/802134340.db2.gz NYLOSASBVOYJQK-FPCVCCKLSA-N 1 1 278.440 3.109 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC(C)C)C2 ZINC001110276803 802137051 /nfs/dbraw/zinc/13/70/51/802137051.db2.gz MKQITQQVATYAKG-OAGGEKHMSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)CCC)C2 ZINC001110400827 802140633 /nfs/dbraw/zinc/14/06/33/802140633.db2.gz YYYIBVUKQONTAU-JJXSEGSLSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(CC=C)CC=C)C2 ZINC001110592947 802144431 /nfs/dbraw/zinc/14/44/31/802144431.db2.gz ALACUIGPPLUUBC-ZACQAIPSSA-N 1 1 288.435 3.052 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](F)CC ZINC001110892292 802149333 /nfs/dbraw/zinc/14/93/33/802149333.db2.gz UKOMGQJDHKPETK-YJNKXOJESA-N 1 1 296.430 3.058 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](F)CC ZINC001110892292 802149337 /nfs/dbraw/zinc/14/93/37/802149337.db2.gz UKOMGQJDHKPETK-YJNKXOJESA-N 1 1 296.430 3.058 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1 ZINC001110932925 802150944 /nfs/dbraw/zinc/15/09/44/802150944.db2.gz DBXVZAALJINIMF-DZUCGIPZSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C\Cl ZINC001110984614 802152868 /nfs/dbraw/zinc/15/28/68/802152868.db2.gz JWNKAOKJVSQGND-IAKJTFRKSA-N 1 1 296.842 3.063 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C/C=C\Cl ZINC001110984614 802152873 /nfs/dbraw/zinc/15/28/73/802152873.db2.gz JWNKAOKJVSQGND-IAKJTFRKSA-N 1 1 296.842 3.063 20 30 CGEDMO C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(C)C)CC1 ZINC001110989489 802153153 /nfs/dbraw/zinc/15/31/53/802153153.db2.gz NJPPNFWCEGJGSX-OAGGEKHMSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@](C)(CC)CCC)C2 ZINC001111187357 802157200 /nfs/dbraw/zinc/15/72/00/802157200.db2.gz TXJWUBKXMFPLGI-PNBKFKSVSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)CC(C)C)C2 ZINC001111248737 802158424 /nfs/dbraw/zinc/15/84/24/802158424.db2.gz MODKGWUAKYMLEE-HZMVEIRTSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)C1CC1)C2 ZINC001111472801 802160438 /nfs/dbraw/zinc/16/04/38/802160438.db2.gz ZSVYWJICORVUQP-DZUCGIPZSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC(C)(C)CC)C1 ZINC001111760736 802168428 /nfs/dbraw/zinc/16/84/28/802168428.db2.gz MLZYKWNSNKHXCQ-YJBOKZPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C/C(C)=C/CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=C)C)C2 ZINC001111837577 802170500 /nfs/dbraw/zinc/17/05/00/802170500.db2.gz UFSHOYXAMPXMTF-KXQRRBCJSA-N 1 1 288.435 3.056 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[NH+](CC2=CCCCC2)CC1 ZINC001113388819 802219388 /nfs/dbraw/zinc/21/93/88/802219388.db2.gz RZGJLHZARJWVTB-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)CCCCCCCC)CC1 ZINC001113575892 802230289 /nfs/dbraw/zinc/23/02/89/802230289.db2.gz WEVXKTTZMBDNLS-UHFFFAOYSA-N 1 1 280.456 3.457 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)CC(C)C ZINC001115094229 802252381 /nfs/dbraw/zinc/25/23/81/802252381.db2.gz QIHXWCRWGLRHPD-NCOADZHNSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CCn1cnn(C[N@@H+]2C[C@H](C)[C@H]3CCCC[C@H]32)c1=S ZINC001116533166 802372150 /nfs/dbraw/zinc/37/21/50/802372150.db2.gz JXNCUJWDVTYVJU-BFHYXJOUSA-N 1 1 292.452 3.068 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+]([C@H](C)c2ccc(F)c(F)c2)C1 ZINC001116556638 802377696 /nfs/dbraw/zinc/37/76/96/802377696.db2.gz RGYDMLOBLIMTNS-DGCLKSJQSA-N 1 1 267.319 3.303 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)C1 ZINC001117706753 802479658 /nfs/dbraw/zinc/47/96/58/802479658.db2.gz NSFBTXJIIPYFAT-RBSFLKMASA-N 1 1 294.402 3.435 20 30 CGEDMO C=C(Cl)COc1ccc([C@@H](C)NC[C@@H](C)C[NH2+]C)cc1 ZINC001118057646 802520763 /nfs/dbraw/zinc/52/07/63/802520763.db2.gz FTWKTDUZXYTASU-GXTWGEPZSA-N 1 1 296.842 3.324 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)cc1 ZINC001118384369 802556883 /nfs/dbraw/zinc/55/68/83/802556883.db2.gz IAITYCLEHUPMSD-BYICEURKSA-N 1 1 298.430 3.081 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](CCCSC(C)(C)C)C1 ZINC001119252803 802639277 /nfs/dbraw/zinc/63/92/77/802639277.db2.gz PUHNYKNVBNYTRA-CYBMUJFWSA-N 1 1 257.443 3.185 20 30 CGEDMO C[N@@H+](CCc1ccccn1)Cc1cc(Cl)cc(C#N)c1 ZINC001119772315 802698516 /nfs/dbraw/zinc/69/85/16/802698516.db2.gz ZNCYIBBQRQTELH-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO C=CC[C@H]([NH2+]C[C@@H]1CCC[C@H](CC)C1)C(=O)OCC ZINC001181457965 810053797 /nfs/dbraw/zinc/05/37/97/810053797.db2.gz RZDCALDZEPILAW-ZNMIVQPWSA-N 1 1 267.413 3.300 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCCCC)C1 ZINC001120318210 802739621 /nfs/dbraw/zinc/73/96/21/802739621.db2.gz FBJOUKGNOHIVBY-IAGOWNOFSA-N 1 1 292.467 3.456 20 30 CGEDMO N#Cc1cccc(CN[C@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC001256894938 807000756 /nfs/dbraw/zinc/00/07/56/807000756.db2.gz OOYGNLCZFLTREW-KRWDZBQOSA-N 1 1 283.419 3.055 20 30 CGEDMO N#Cc1cccc(CN[C@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC001256894938 807000765 /nfs/dbraw/zinc/00/07/65/807000765.db2.gz OOYGNLCZFLTREW-KRWDZBQOSA-N 1 1 283.419 3.055 20 30 CGEDMO C#Cc1cccc(CN[C@H]2CCC[N@@H+](C3CCCC3)C2)c1 ZINC001256902709 807005457 /nfs/dbraw/zinc/00/54/57/807005457.db2.gz VSWWGUQUOLTGFD-SFHVURJKSA-N 1 1 282.431 3.165 20 30 CGEDMO C#Cc1cccc(CN[C@H]2CCC[N@H+](C3CCCC3)C2)c1 ZINC001256902709 807005464 /nfs/dbraw/zinc/00/54/64/807005464.db2.gz VSWWGUQUOLTGFD-SFHVURJKSA-N 1 1 282.431 3.165 20 30 CGEDMO CCCCCCCCCCCC[N@H+]1C[C@H](O)[C@@H](C[NH3+])C1 ZINC001206506728 813338542 /nfs/dbraw/zinc/33/85/42/813338542.db2.gz NEZOIRXJKDABQL-IRXDYDNUSA-N 1 1 284.488 3.159 20 30 CGEDMO N#CCC1C[NH+](CCc2ccc(Cl)cc2Cl)C1 ZINC001209079463 813929196 /nfs/dbraw/zinc/92/91/96/813929196.db2.gz UDCIBPIJEHESGF-UHFFFAOYSA-N 1 1 269.175 3.381 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H](NC(=O)C(C)(C)F)CC[C@H]1C ZINC001131742795 803339779 /nfs/dbraw/zinc/33/97/79/803339779.db2.gz HOSDSCAHWTXCNZ-HUUCEWRRSA-N 1 1 298.446 3.450 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)CC(C)(C)C)CC[C@@H]1C ZINC001131839752 803350724 /nfs/dbraw/zinc/35/07/24/803350724.db2.gz UOIZHBPKPXFHBD-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)/C=C(\C)C2CC2)CC[C@H]1C ZINC001131861843 803352915 /nfs/dbraw/zinc/35/29/15/803352915.db2.gz PVDKYOXFGMHXBG-GOCZWWTBSA-N 1 1 290.451 3.278 20 30 CGEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)CCCC(C)(C)C)CC[C@@H]1C ZINC001131899061 803355120 /nfs/dbraw/zinc/35/51/20/803355120.db2.gz HWRIQCHLCSLRKE-HOTGVXAUSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC/C=C\CC)C1 ZINC001131895238 803355644 /nfs/dbraw/zinc/35/56/44/803355644.db2.gz HFGZEYCOJLBXHY-MMAALDBVSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)/C=C/C(C)(C)C)CC[C@H]1C ZINC001131912083 803358012 /nfs/dbraw/zinc/35/80/12/803358012.db2.gz RQSRCHZDLKOZFF-SXKCSBRWSA-N 1 1 278.440 3.134 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC/C=C\CC)C1 ZINC001132003370 803366176 /nfs/dbraw/zinc/36/61/76/803366176.db2.gz UJKSGDVRFSUONN-YSNMCSLZSA-N 1 1 290.451 3.115 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)/C=C(/C)CC)CC[C@@H]1C ZINC001132014014 803367362 /nfs/dbraw/zinc/36/73/62/803367362.db2.gz QIRDKMZHEBJUEP-OQXBOSRRSA-N 1 1 284.831 3.064 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@H](NC(=O)/C=C(/C)CC)CC[C@@H]1C ZINC001132014014 803367370 /nfs/dbraw/zinc/36/73/70/803367370.db2.gz QIRDKMZHEBJUEP-OQXBOSRRSA-N 1 1 284.831 3.064 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(C)C)C1 ZINC001132057601 803369472 /nfs/dbraw/zinc/36/94/72/803369472.db2.gz RQKWXAZISISTIH-DOTOQJQBSA-N 1 1 292.467 3.380 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CC[C@H](C)[N@H+](CC(=C)C)C1 ZINC001132056987 803370400 /nfs/dbraw/zinc/37/04/00/803370400.db2.gz ICPBBETWFUZVGF-RDJZCZTQSA-N 1 1 290.451 3.300 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)C(C)C)CC[C@H]1C ZINC001132073009 803370605 /nfs/dbraw/zinc/37/06/05/803370605.db2.gz SSPMFTUDEBIHPL-CABCVRRESA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C(C)(C)C(=C)C)CC[C@H]1C ZINC001132222171 803380455 /nfs/dbraw/zinc/38/04/55/803380455.db2.gz UUVRNDXVKQQNJE-HUUCEWRRSA-N 1 1 278.440 3.134 20 30 CGEDMO CC#CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCC(C)C)C1 ZINC001132225127 803381234 /nfs/dbraw/zinc/38/12/34/803381234.db2.gz SSUAJUCIINAKSP-IRXDYDNUSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCCCC)C1 ZINC001132227925 803382303 /nfs/dbraw/zinc/38/23/03/803382303.db2.gz JHDDZBKQMZUMCN-HUUCEWRRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCCCCF)C1 ZINC001132228045 803383333 /nfs/dbraw/zinc/38/33/33/803383333.db2.gz LLNQNVCLYWREBM-HUUCEWRRSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCC(C)C)C1 ZINC001132228197 803383651 /nfs/dbraw/zinc/38/36/51/803383651.db2.gz NPILXIBRDMFDBY-HUUCEWRRSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cocc2C)CC[C@@H]1C ZINC001132228088 803383699 /nfs/dbraw/zinc/38/36/99/803383699.db2.gz MBYIUGGBKKCLCQ-GJZGRUSLSA-N 1 1 290.407 3.137 20 30 CGEDMO C#CCCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCC=C)C1 ZINC001132240729 803385563 /nfs/dbraw/zinc/38/55/63/803385563.db2.gz LFSVHPSFFNIWIG-IAGOWNOFSA-N 1 1 290.451 3.115 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCC2CC2)C1 ZINC001132249819 803386922 /nfs/dbraw/zinc/38/69/22/803386922.db2.gz SUXGQGFCIFXBJX-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C#CCC[N@H+]1C[C@@H](NC(=O)C(CCC)CCC)CC[C@H]1C ZINC001132256359 803388291 /nfs/dbraw/zinc/38/82/91/803388291.db2.gz MQAASRRMUKNBFS-WBVHZDCISA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)C2(C)CC=CC2)CC[C@@H]1C ZINC001132266485 803388978 /nfs/dbraw/zinc/38/89/78/803388978.db2.gz XJXLDKRYBZETHA-HOTGVXAUSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCCCCF)C1 ZINC001132256142 803389281 /nfs/dbraw/zinc/38/92/81/803389281.db2.gz JTUKRPFDUWIDNS-HZPDHXFCSA-N 1 1 298.446 3.452 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C2(CCC=C)CC2)CC[C@@H]1C ZINC001132279032 803389982 /nfs/dbraw/zinc/38/99/82/803389982.db2.gz UAGUMJNQBFMHQQ-HOTGVXAUSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CCC)C2)CC1 ZINC001132277294 803391069 /nfs/dbraw/zinc/39/10/69/803391069.db2.gz FEOYQKVJJSVFMJ-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C(C)(C)CC=C)CC[C@H]1C ZINC001132330077 803396608 /nfs/dbraw/zinc/39/66/08/803396608.db2.gz AODODMGVZMZIFK-HUUCEWRRSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CC1(CC(=O)N2CC[N@H+](C)C(C)(C)C2)CCCCC1 ZINC001133208036 803461343 /nfs/dbraw/zinc/46/13/43/803461343.db2.gz UDGXLOAVZBNHIP-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Cl)cn1 ZINC001136930403 803660656 /nfs/dbraw/zinc/66/06/56/803660656.db2.gz RBNQBNYVCOAIEK-OJNYZHBWSA-N 1 1 261.756 3.002 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)cn1 ZINC001136930403 803660657 /nfs/dbraw/zinc/66/06/57/803660657.db2.gz RBNQBNYVCOAIEK-OJNYZHBWSA-N 1 1 261.756 3.002 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2c[nH]c3cccc(F)c23)C1 ZINC001136985073 803667808 /nfs/dbraw/zinc/66/78/08/803667808.db2.gz YPDIZFBNRZPQCE-GFCCVEGCSA-N 1 1 271.339 3.433 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)o2)CC1 ZINC001137067727 803679360 /nfs/dbraw/zinc/67/93/60/803679360.db2.gz GHJNNBTXOPSAQR-AWEZNQCLSA-N 1 1 273.380 3.005 20 30 CGEDMO CC[N@@H+](Cc1ccc(OCC#N)cc1)Cc1cccnc1 ZINC001137119268 803684832 /nfs/dbraw/zinc/68/48/32/803684832.db2.gz CCGMTSSBFLWBHN-UHFFFAOYSA-N 1 1 281.359 3.006 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1C ZINC001137115484 803685284 /nfs/dbraw/zinc/68/52/84/803685284.db2.gz QGRGOUNBSWACKK-HUUCEWRRSA-N 1 1 272.392 3.457 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2c(F)cccc2Br)C1 ZINC001137467727 803734793 /nfs/dbraw/zinc/73/47/93/803734793.db2.gz KPUKDAXEAPAUDM-LLVKDONJSA-N 1 1 296.183 3.433 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2c(F)cccc2Br)C1 ZINC001137467727 803734802 /nfs/dbraw/zinc/73/48/02/803734802.db2.gz KPUKDAXEAPAUDM-LLVKDONJSA-N 1 1 296.183 3.433 20 30 CGEDMO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(C#Cc2ccccc2)cc1 ZINC001138335610 803899704 /nfs/dbraw/zinc/89/97/04/803899704.db2.gz XRMBNLMENICJPE-OXQOHEQNSA-N 1 1 291.394 3.042 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCCCC[C@H]2C)cc1 ZINC001138559439 803968959 /nfs/dbraw/zinc/96/89/59/803968959.db2.gz UVGPZWGIIKVWEU-OAHLLOKOSA-N 1 1 257.377 3.463 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c1O ZINC001138624281 803983029 /nfs/dbraw/zinc/98/30/29/803983029.db2.gz AYTHTAUTDYNEJQ-DOTOQJQBSA-N 1 1 287.403 3.122 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)c1O ZINC001138625437 803983775 /nfs/dbraw/zinc/98/37/75/803983775.db2.gz KXFBYLSNVNTLIY-PBHICJAKSA-N 1 1 287.403 3.122 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CCC3(CCC3)C2)c1O ZINC001138627604 803985134 /nfs/dbraw/zinc/98/51/34/803985134.db2.gz BTCVQXUMXCPXOC-UHFFFAOYSA-N 1 1 257.377 3.497 20 30 CGEDMO CCCn1ncc(C[N@H+](C)Cc2cccc(C#N)c2)c1C ZINC001138642044 803992721 /nfs/dbraw/zinc/99/27/21/803992721.db2.gz IUQJWTBEYMKEGN-UHFFFAOYSA-N 1 1 282.391 3.105 20 30 CGEDMO CCCn1ncc(C[N@@H+](C)Cc2cccc(C#N)c2)c1C ZINC001138642044 803992728 /nfs/dbraw/zinc/99/27/28/803992728.db2.gz IUQJWTBEYMKEGN-UHFFFAOYSA-N 1 1 282.391 3.105 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC001138652830 803992983 /nfs/dbraw/zinc/99/29/83/803992983.db2.gz IDJQBDUOWBKFIW-AWEZNQCLSA-N 1 1 298.365 3.137 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CCC[C@H](C(C)=O)C1 ZINC001138665547 803997670 /nfs/dbraw/zinc/99/76/70/803997670.db2.gz PNVKTIKDMRDAIZ-INIZCTEOSA-N 1 1 287.403 3.443 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CC[C@H](C(C)=O)C1 ZINC001138666413 803999962 /nfs/dbraw/zinc/99/99/62/803999962.db2.gz RNATYKSHQKTHEX-HNNXBMFYSA-N 1 1 273.376 3.052 20 30 CGEDMO C#CC[N@@H+](Cc1cccnc1NC)[C@@H]1CCc2ccccc21 ZINC001138693166 804007605 /nfs/dbraw/zinc/00/76/05/804007605.db2.gz MFRYKGBHGPFIIV-GOSISDBHSA-N 1 1 291.398 3.246 20 30 CGEDMO C#CC[N@H+](Cc1cccnc1NC)[C@@H]1CCc2ccccc21 ZINC001138693166 804007612 /nfs/dbraw/zinc/00/76/12/804007612.db2.gz MFRYKGBHGPFIIV-GOSISDBHSA-N 1 1 291.398 3.246 20 30 CGEDMO C=CC[N@H+](Cc1cccnc1NC)C1CCCCC1 ZINC001138695086 804008317 /nfs/dbraw/zinc/00/83/17/804008317.db2.gz WCZYZEIKFOFBOY-UHFFFAOYSA-N 1 1 259.397 3.444 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCNC2=CCCC[C@@H]21 ZINC001246064370 804106532 /nfs/dbraw/zinc/10/65/32/804106532.db2.gz LPVPOJZFRDPKMV-WMZOPIPTSA-N 1 1 292.467 3.216 20 30 CGEDMO C=CCCCCCC[C@H](O)CN1CC[NH2+]C2=CCCC[C@@H]21 ZINC001246064370 804106541 /nfs/dbraw/zinc/10/65/41/804106541.db2.gz LPVPOJZFRDPKMV-WMZOPIPTSA-N 1 1 292.467 3.216 20 30 CGEDMO CCn1ccc2c1cccc2C[N@@H+]1CC[C@@H](C#N)C1 ZINC001139158508 804143988 /nfs/dbraw/zinc/14/39/88/804143988.db2.gz PCBRCAGIFKIXBH-ZDUSSCGKSA-N 1 1 253.349 3.007 20 30 CGEDMO CCn1ccc2c1cccc2C[N@H+]1CC[C@@H](C#N)C1 ZINC001139158508 804143993 /nfs/dbraw/zinc/14/39/93/804143993.db2.gz PCBRCAGIFKIXBH-ZDUSSCGKSA-N 1 1 253.349 3.007 20 30 CGEDMO Cn1ccc2c1cccc2C[N@H+]1CCC[C@H](C#N)CC1 ZINC001139158457 804144696 /nfs/dbraw/zinc/14/46/96/804144696.db2.gz AWFLQKNLLIQGLH-AWEZNQCLSA-N 1 1 267.376 3.304 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cccc3c2ccn3C)C1 ZINC001139158817 804145126 /nfs/dbraw/zinc/14/51/26/804145126.db2.gz DZRISNOWIKMLJA-AWEZNQCLSA-N 1 1 252.361 3.024 20 30 CGEDMO CCCCCCC[C@H](CCC)[NH2+]C1(CO)CCNCC1 ZINC001246117503 804149922 /nfs/dbraw/zinc/14/99/22/804149922.db2.gz JCZILDIQCVOPIE-INIZCTEOSA-N 1 1 284.488 3.220 20 30 CGEDMO Cc1cccc2[nH]cc(C[N@H+]3CC[C@H]4SC(=O)C=C4C3)c21 ZINC001139196124 804157540 /nfs/dbraw/zinc/15/75/40/804157540.db2.gz ZXIYNBJNTFMRMJ-OAHLLOKOSA-N 1 1 298.411 3.250 20 30 CGEDMO Cc1cccc2[nH]cc(C[N@@H+]3CCC4SC(=O)C=C4C3)c21 ZINC001139196124 804157543 /nfs/dbraw/zinc/15/75/43/804157543.db2.gz ZXIYNBJNTFMRMJ-OAHLLOKOSA-N 1 1 298.411 3.250 20 30 CGEDMO Cc1cccc2[nH]cc(C[N@H+]3CCC4SC(=O)C=C4C3)c21 ZINC001139196124 804157550 /nfs/dbraw/zinc/15/75/50/804157550.db2.gz ZXIYNBJNTFMRMJ-OAHLLOKOSA-N 1 1 298.411 3.250 20 30 CGEDMO C=CC[NH+](CC=C)Cc1c2ccccc2[nH]c1C(=O)OC ZINC001139398905 804187203 /nfs/dbraw/zinc/18/72/03/804187203.db2.gz MNCJDEBBMFRDMY-UHFFFAOYSA-N 1 1 284.359 3.129 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cc(Br)cnc1N ZINC001139451763 804190491 /nfs/dbraw/zinc/19/04/91/804190491.db2.gz NHEHJEUGYFSRNQ-UHFFFAOYSA-N 1 1 298.228 3.214 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](F)C(F)(F)CC2)cc1F ZINC001139525163 804201216 /nfs/dbraw/zinc/20/12/16/804201216.db2.gz CTQNKFDAYXQICL-CYBMUJFWSA-N 1 1 286.272 3.267 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](F)C(F)(F)CC2)cc1F ZINC001139525163 804201219 /nfs/dbraw/zinc/20/12/19/804201219.db2.gz CTQNKFDAYXQICL-CYBMUJFWSA-N 1 1 286.272 3.267 20 30 CGEDMO CCCCCCC[C@@H](CC(C)C)[NH2+][C@H]1CN[C@H](CO)C1 ZINC001246213318 804210055 /nfs/dbraw/zinc/21/00/55/804210055.db2.gz QASMBYATFWMUCY-BBWFWOEESA-N 1 1 284.488 3.074 20 30 CGEDMO CCCCCCCC[C@H](CC)[NH2+][C@@H]1CCNC[C@H]1OC ZINC001246219391 804213146 /nfs/dbraw/zinc/21/31/46/804213146.db2.gz YNMSTVUQOCULSW-GVDBMIGSSA-N 1 1 284.488 3.482 20 30 CGEDMO CCCCCCC[C@@H](CC(C)C)[NH2+][C@@H]1CCNC[C@@H]1O ZINC001246218886 804213550 /nfs/dbraw/zinc/21/35/50/804213550.db2.gz VOCMUWBPAQIYIY-BBWFWOEESA-N 1 1 284.488 3.074 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)c1 ZINC001139646290 804242145 /nfs/dbraw/zinc/24/21/45/804242145.db2.gz NPWADCICENCQTQ-ZIAGYGMSSA-N 1 1 258.340 3.319 20 30 CGEDMO COc1cccc(CC[N@@H+](C)Cc2cc(C#N)ccc2F)c1 ZINC001139651251 804243936 /nfs/dbraw/zinc/24/39/36/804243936.db2.gz NIBFFSXITIMTEH-UHFFFAOYSA-N 1 1 298.361 3.380 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](C(F)F)C2)c1 ZINC001139651659 804243959 /nfs/dbraw/zinc/24/39/59/804243959.db2.gz SLYONOUUXHCZQX-LLVKDONJSA-N 1 1 268.282 3.174 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](C(F)F)C2)c1 ZINC001139651659 804243965 /nfs/dbraw/zinc/24/39/65/804243965.db2.gz SLYONOUUXHCZQX-LLVKDONJSA-N 1 1 268.282 3.174 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1ccc(N(C)C)c(C)c1 ZINC001139671009 804248029 /nfs/dbraw/zinc/24/80/29/804248029.db2.gz KOXGMPZNIJMTRI-UHFFFAOYSA-N 1 1 259.397 3.187 20 30 CGEDMO C[C@@]1(CO)CCC[N@@H+](Cc2c[nH]c3c2cccc3C#N)CC1 ZINC001139702079 804258332 /nfs/dbraw/zinc/25/83/32/804258332.db2.gz VIRIBPKMMXZZPV-GOSISDBHSA-N 1 1 297.402 3.024 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)Cc1cnc2c(c1)OCCO2 ZINC001139736591 804269451 /nfs/dbraw/zinc/26/94/51/804269451.db2.gz KBEPHIORFZKAIP-UHFFFAOYSA-N 1 1 296.370 3.041 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cnc2c(c1)OCCO2 ZINC001139736591 804269457 /nfs/dbraw/zinc/26/94/57/804269457.db2.gz KBEPHIORFZKAIP-UHFFFAOYSA-N 1 1 296.370 3.041 20 30 CGEDMO C=CCn1cc(C[N@H+](C)Cc2cccc(C)c2)cn1 ZINC001139766307 804277485 /nfs/dbraw/zinc/27/74/85/804277485.db2.gz OQUAMXONZDIKGF-UHFFFAOYSA-N 1 1 255.365 3.010 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cc(C)c(OC)c(C)c2)no1 ZINC001212325343 815005111 /nfs/dbraw/zinc/00/51/11/815005111.db2.gz PHBUTOQBLMXNEQ-AWEZNQCLSA-N 1 1 299.374 3.165 20 30 CGEDMO C=CCn1cc(C[N@H+](CC)Cc2cccc(OC)c2)cn1 ZINC001139772277 804278399 /nfs/dbraw/zinc/27/83/99/804278399.db2.gz CAZOSFQSOHSPIY-UHFFFAOYSA-N 1 1 285.391 3.100 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cccc(Cl)c2)no1 ZINC001212325349 815005211 /nfs/dbraw/zinc/00/52/11/815005211.db2.gz POHAIKGBXLTFLB-LBPRGKRZSA-N 1 1 275.739 3.193 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cccc3c2CCCC3)no1 ZINC001212324888 815005563 /nfs/dbraw/zinc/00/55/63/815005563.db2.gz AXBZEZUXAOJSRC-INIZCTEOSA-N 1 1 295.386 3.419 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)[C@H]1CCCC[C@H]1CC ZINC001139869592 804303189 /nfs/dbraw/zinc/30/31/89/804303189.db2.gz MLKIGXNUILVQFR-CVEARBPZSA-N 1 1 280.456 3.169 20 30 CGEDMO C[N@@H+](Cc1cc(F)cc(C#N)c1)Cc1ccccc1O ZINC001139875948 804308339 /nfs/dbraw/zinc/30/83/39/804308339.db2.gz INEFQUIPFOXFBI-UHFFFAOYSA-N 1 1 270.307 3.035 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1c[nH]c2ncnc(Cl)c12 ZINC001139938201 804330249 /nfs/dbraw/zinc/33/02/49/804330249.db2.gz HNBRDPQMFPIJGE-UHFFFAOYSA-N 1 1 278.787 3.351 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1ccnnc1 ZINC001139983590 804340298 /nfs/dbraw/zinc/34/02/98/804340298.db2.gz XJWQIBJJLAUAQF-UHFFFAOYSA-N 1 1 253.349 3.055 20 30 CGEDMO C#CC1(N[C@H]2CC[NH2+]C3(CCCCC3)C2)CCCCC1 ZINC001246464867 804345589 /nfs/dbraw/zinc/34/55/89/804345589.db2.gz UODARILSGCSTMB-INIZCTEOSA-N 1 1 274.452 3.367 20 30 CGEDMO N#Cc1ccc2[nH]cc(C[N@H+]3C[C@@H]4CCC[C@@H]4C3)c2c1 ZINC001140110265 804378933 /nfs/dbraw/zinc/37/89/33/804378933.db2.gz HTSHMFRDIPZPEG-OKILXGFUSA-N 1 1 265.360 3.271 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)CC[C@]1(C)O ZINC001140110012 804379305 /nfs/dbraw/zinc/37/93/05/804379305.db2.gz CYGSTNZSMJOZFB-UGSOOPFHSA-N 1 1 297.402 3.022 20 30 CGEDMO CC(C)[N@@H+](CCCCCO)Cc1ccc(C#N)cc1F ZINC001140139301 804386453 /nfs/dbraw/zinc/38/64/53/804386453.db2.gz CCTIZOJXLDIVQJ-UHFFFAOYSA-N 1 1 278.371 3.070 20 30 CGEDMO C[N@H+](CCC(=O)c1ccccc1)Cc1ccc(C#N)cc1F ZINC001140139182 804387895 /nfs/dbraw/zinc/38/78/95/804387895.db2.gz KWCMIWAJJGPOGZ-UHFFFAOYSA-N 1 1 296.345 3.402 20 30 CGEDMO C[N@@H+](CCC(=O)c1ccccc1)Cc1ccc(C#N)cc1F ZINC001140139182 804387904 /nfs/dbraw/zinc/38/79/04/804387904.db2.gz KWCMIWAJJGPOGZ-UHFFFAOYSA-N 1 1 296.345 3.402 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2cccc3cnccc32)CC1 ZINC001140143959 804388971 /nfs/dbraw/zinc/38/89/71/804388971.db2.gz ZYBMEIVQRVMXGJ-AWEZNQCLSA-N 1 1 265.360 3.360 20 30 CGEDMO C[C@@H]1CCNCC[N@H+]1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246547816 804397120 /nfs/dbraw/zinc/39/71/20/804397120.db2.gz CDFPPKSSPZSBQW-VNCLNFNDSA-N 1 1 297.446 3.268 20 30 CGEDMO C[C@@H]1CC[NH2+]CCN1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246547816 804397125 /nfs/dbraw/zinc/39/71/25/804397125.db2.gz CDFPPKSSPZSBQW-VNCLNFNDSA-N 1 1 297.446 3.268 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2c[nH]c3ccc(OCC)cc23)C1 ZINC001140272376 804404877 /nfs/dbraw/zinc/40/48/77/804404877.db2.gz UGIJYIXFPHWETO-AWEZNQCLSA-N 1 1 282.387 3.412 20 30 CGEDMO CCOc1ccc2[nH]cc(C[N@H+](CC)CCC#N)c2c1 ZINC001140271108 804405229 /nfs/dbraw/zinc/40/52/29/804405229.db2.gz WSEKVVGNVAGKFG-UHFFFAOYSA-N 1 1 271.364 3.302 20 30 CGEDMO CCOc1ccc2[nH]cc(C[N@@H+](CC)CCC#N)c2c1 ZINC001140271108 804405233 /nfs/dbraw/zinc/40/52/33/804405233.db2.gz WSEKVVGNVAGKFG-UHFFFAOYSA-N 1 1 271.364 3.302 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(OC)c(OCC2CC2)c1 ZINC001140490641 804446935 /nfs/dbraw/zinc/44/69/35/804446935.db2.gz XNEZIEPRUNAFHJ-UHFFFAOYSA-N 1 1 261.365 3.102 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)cn1 ZINC001140546016 804457568 /nfs/dbraw/zinc/45/75/68/804457568.db2.gz SVFGKUJXTJEAMM-OAHLLOKOSA-N 1 1 281.334 3.082 20 30 CGEDMO C[N@@H+](CCc1ccccn1)Cc1cc(C#N)ccc1Cl ZINC001140599844 804471746 /nfs/dbraw/zinc/47/17/46/804471746.db2.gz TXMRZSFKEVTANN-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@@H](C#N)CC2)c(C)c1 ZINC001140676577 804487127 /nfs/dbraw/zinc/48/71/27/804487127.db2.gz AIMBDQQXGVOIIC-CQSZACIVSA-N 1 1 258.365 3.129 20 30 CGEDMO C[N@H+](C1CCC(c2ccc(C#N)cc2)CC1)[C@H]1CCCNC1 ZINC001246680596 804494298 /nfs/dbraw/zinc/49/42/98/804494298.db2.gz VXHCUYYBORTJCA-ACBHZAAOSA-N 1 1 297.446 3.268 20 30 CGEDMO C[N@@H+](C1CCC(c2ccc(C#N)cc2)CC1)[C@H]1CCCNC1 ZINC001246680596 804494304 /nfs/dbraw/zinc/49/43/04/804494304.db2.gz VXHCUYYBORTJCA-ACBHZAAOSA-N 1 1 297.446 3.268 20 30 CGEDMO Cn1cnc2ccc(C[N@@H+](CCC#N)C3CCCC3)cc21 ZINC001140745837 804503644 /nfs/dbraw/zinc/50/36/44/804503644.db2.gz CVWWRQAQFLBHLA-UHFFFAOYSA-N 1 1 282.391 3.232 20 30 CGEDMO N#Cc1c(F)cc(C[N@H+]2CCC[C@@H](CF)C2)cc1F ZINC001140754374 804506009 /nfs/dbraw/zinc/50/60/09/804506009.db2.gz XLTVMFOYZBMWPF-JTQLQIEISA-N 1 1 268.282 3.018 20 30 CGEDMO N#Cc1c(F)cc(C[N@@H+]2CCC[C@@H](CF)C2)cc1F ZINC001140754374 804506014 /nfs/dbraw/zinc/50/60/14/804506014.db2.gz XLTVMFOYZBMWPF-JTQLQIEISA-N 1 1 268.282 3.018 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCCN(C2CCCC2)C1 ZINC001256920133 807010947 /nfs/dbraw/zinc/01/09/47/807010947.db2.gz ICQZODVVLVRADP-NRSFXHEJSA-N 1 1 287.451 3.160 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256920133 807010952 /nfs/dbraw/zinc/01/09/52/807010952.db2.gz ICQZODVVLVRADP-NRSFXHEJSA-N 1 1 287.451 3.160 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)N2[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256920133 807010961 /nfs/dbraw/zinc/01/09/61/807010961.db2.gz ICQZODVVLVRADP-NRSFXHEJSA-N 1 1 287.451 3.160 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cc(Br)ccn1 ZINC001140765804 804507686 /nfs/dbraw/zinc/50/76/86/804507686.db2.gz PEANHSVZEZLJAR-UHFFFAOYSA-N 1 1 267.170 3.018 20 30 CGEDMO CC(C)(C)OC(=O)[C@H]1CCC[N@H+](C2CCC(C#N)CC2)C1 ZINC001256968661 807019437 /nfs/dbraw/zinc/01/94/37/807019437.db2.gz JRGBIISQVSBYKU-SLTAFYQDSA-N 1 1 292.423 3.122 20 30 CGEDMO N#CC1CCC([N@H+]2CCC[C@H]2Cc2ccccn2)CC1 ZINC001256969410 807021171 /nfs/dbraw/zinc/02/11/71/807021171.db2.gz HROTVEPGWANDIR-PREGVCBESA-N 1 1 269.392 3.171 20 30 CGEDMO Cc1ncoc1C[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001141050929 804580925 /nfs/dbraw/zinc/58/09/25/804580925.db2.gz KYMNQPVLOIPJRD-UHFFFAOYSA-N 1 1 281.359 3.040 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(C(F)(F)F)nn1)C(C)(C)C ZINC001141500554 804648502 /nfs/dbraw/zinc/64/85/02/804648502.db2.gz KUWJQKMPYXBUTN-UHFFFAOYSA-N 1 1 273.302 3.282 20 30 CGEDMO N#Cc1ccc(Br)c(C[N@@H+]2CCC3(CC3)C2)c1 ZINC001141655798 804662464 /nfs/dbraw/zinc/66/24/64/804662464.db2.gz KUHDSHPQYQAKIG-UHFFFAOYSA-N 1 1 291.192 3.307 20 30 CGEDMO N#Cc1ccc(Br)c(C[N@H+]2CCC3(CC3)C2)c1 ZINC001141655798 804662469 /nfs/dbraw/zinc/66/24/69/804662469.db2.gz KUHDSHPQYQAKIG-UHFFFAOYSA-N 1 1 291.192 3.307 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH3+])c1nc(-c2ccc(F)c(Cl)c2F)no1 ZINC001247621753 804780932 /nfs/dbraw/zinc/78/09/32/804780932.db2.gz WOBXEHWQHGZXDY-CAAJLBCPSA-N 1 1 297.692 3.028 20 30 CGEDMO CC1(C)C[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)[C@@](C)(CO)C1 ZINC001142911856 804781721 /nfs/dbraw/zinc/78/17/21/804781721.db2.gz LZMCXLYXTKNIBJ-GOSISDBHSA-N 1 1 297.402 3.022 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2ccnc3ccccc32)no1 ZINC001247622764 804782821 /nfs/dbraw/zinc/78/28/21/804782821.db2.gz RSAPGMURHGDLKF-ZDUSSCGKSA-N 1 1 280.331 3.251 20 30 CGEDMO N#Cc1ccc2c(C[N@H+]3CC[C@@H]4CCCO[C@@H]4C3)c[nH]c2c1 ZINC001142915403 804783339 /nfs/dbraw/zinc/78/33/39/804783339.db2.gz ACWGUFBBFYCZFD-KBXCAEBGSA-N 1 1 295.386 3.040 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cc(F)ccc2Cl)no1 ZINC001247623020 804784564 /nfs/dbraw/zinc/78/45/64/804784564.db2.gz VDIZPQIDJPTTQS-LLVKDONJSA-N 1 1 281.718 3.495 20 30 CGEDMO CC[N@@H+](Cc1c[nH]c2cc(C#N)ccc12)Cc1cccnc1 ZINC001142921417 804784849 /nfs/dbraw/zinc/78/48/49/804784849.db2.gz LZSOFBIZJAUIPC-UHFFFAOYSA-N 1 1 290.370 3.457 20 30 CGEDMO C=CCCNC(=S)Nc1ccc(-n2cc[nH+]c2C)cc1 ZINC001247643783 804791629 /nfs/dbraw/zinc/79/16/29/804791629.db2.gz JRVGKBZQWDTZLD-UHFFFAOYSA-N 1 1 286.404 3.043 20 30 CGEDMO CCC[N@H+](Cc1c(F)ccc(C#N)c1F)CC1CC1 ZINC001143164293 804812300 /nfs/dbraw/zinc/81/23/00/804812300.db2.gz ZAMZFLSOQCGCQQ-UHFFFAOYSA-N 1 1 264.319 3.458 20 30 CGEDMO COc1cc(C[NH+]2CC(CC#N)C2)ccc1C(F)(F)F ZINC001143342448 804837799 /nfs/dbraw/zinc/83/77/99/804837799.db2.gz KHOHKCXSYQAGIG-UHFFFAOYSA-N 1 1 284.281 3.059 20 30 CGEDMO CCOc1ccc(F)c(F)c1C[NH+]1CCC(S)CC1 ZINC001143494926 804859217 /nfs/dbraw/zinc/85/92/17/804859217.db2.gz CPDGAJLFQKCPQQ-UHFFFAOYSA-N 1 1 287.375 3.258 20 30 CGEDMO C=CC[N@H+](C)Cc1ccnc(NC(=O)OC(C)(C)C)c1 ZINC001143693447 804886119 /nfs/dbraw/zinc/88/61/19/804886119.db2.gz NWKUXXPHXYAREO-UHFFFAOYSA-N 1 1 277.368 3.046 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCC[C@@H]2c2ccccc2F)c1 ZINC001144079346 804934166 /nfs/dbraw/zinc/93/41/66/804934166.db2.gz KDEBOZJUXFUJBD-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1cncc(C[N@@H+]2CCC[C@@H]2c2ccccc2F)c1 ZINC001144079346 804934169 /nfs/dbraw/zinc/93/41/69/804934169.db2.gz KDEBOZJUXFUJBD-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO N#CC1CC[NH+](Cc2c3ccoc3ccc2F)CC1 ZINC001248523782 804941318 /nfs/dbraw/zinc/94/13/18/804941318.db2.gz ATKWIYONLCBQPE-UHFFFAOYSA-N 1 1 258.296 3.307 20 30 CGEDMO CCc1cccc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)c1 ZINC001144318655 804973810 /nfs/dbraw/zinc/97/38/10/804973810.db2.gz HMTABJXXSGKEHE-OAHLLOKOSA-N 1 1 273.401 3.023 20 30 CGEDMO CCc1cccc(C[N@@H+]2CCC3SC(=O)C=C3C2)c1 ZINC001144318655 804973814 /nfs/dbraw/zinc/97/38/14/804973814.db2.gz HMTABJXXSGKEHE-OAHLLOKOSA-N 1 1 273.401 3.023 20 30 CGEDMO CCc1cccc(C[N@H+]2CCC3SC(=O)C=C3C2)c1 ZINC001144318655 804973818 /nfs/dbraw/zinc/97/38/18/804973818.db2.gz HMTABJXXSGKEHE-OAHLLOKOSA-N 1 1 273.401 3.023 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@@H+](C)C[C@H]1CCCCO1 ZINC001248751483 804983783 /nfs/dbraw/zinc/98/37/83/804983783.db2.gz XZGFKXOCARVLNZ-QGZVFWFLSA-N 1 1 272.392 3.122 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@@H+](C)CCc1ccncc1 ZINC001248751533 804984528 /nfs/dbraw/zinc/98/45/28/804984528.db2.gz ZIWFPAUBXUQUQW-UHFFFAOYSA-N 1 1 279.387 3.190 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@@H+]1CCc2ccncc2C1 ZINC001248751841 804984815 /nfs/dbraw/zinc/98/48/15/804984815.db2.gz MIDKWSVQHSSUPN-UHFFFAOYSA-N 1 1 277.371 3.074 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCc2ccncc2C1 ZINC001248751841 804984819 /nfs/dbraw/zinc/98/48/19/804984819.db2.gz MIDKWSVQHSSUPN-UHFFFAOYSA-N 1 1 277.371 3.074 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CC[C@H](OC)C[C@@H]1C ZINC001248753205 804985759 /nfs/dbraw/zinc/98/57/59/804985759.db2.gz WXVAMCWSPXEZFS-GUYCJALGSA-N 1 1 272.392 3.120 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(-n2nccn2)cc1)C(C)(C)C ZINC001248771979 804987553 /nfs/dbraw/zinc/98/75/53/804987553.db2.gz CKSUQASQOZRMCS-UHFFFAOYSA-N 1 1 270.380 3.054 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC2(C1)CC[N@H+](CCCC)C2 ZINC001147631309 805141409 /nfs/dbraw/zinc/14/14/09/805141409.db2.gz SBAQYNHRMCIPHG-UHFFFAOYSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)CCC(=O)N1CC2(C1)CC[N@H+](CC(CC)CC)C2 ZINC001147640011 805142256 /nfs/dbraw/zinc/14/22/56/805142256.db2.gz MCMZKHDFLZEOPM-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+](Cc1cnc(Br)cn1)C(C)(C)C ZINC001249493910 805161583 /nfs/dbraw/zinc/16/15/83/805161583.db2.gz JJHMFCDVQQHIGS-UHFFFAOYSA-N 1 1 284.201 3.026 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)c1F ZINC001249681577 805209334 /nfs/dbraw/zinc/20/93/34/805209334.db2.gz WWESHDYZPNJFIU-TZMCWYRMSA-N 1 1 258.340 3.319 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)CC1CCCC1 ZINC001151648685 805303922 /nfs/dbraw/zinc/30/39/22/805303922.db2.gz RWLFVYKWBXVPNY-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)C=C1CCCCC1 ZINC001152179013 805338130 /nfs/dbraw/zinc/33/81/30/805338130.db2.gz AVTHLYVUDCDKPC-OAHLLOKOSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001152604231 805356257 /nfs/dbraw/zinc/35/62/57/805356257.db2.gz JGQBNLNDEFETGH-NCOADZHNSA-N 1 1 292.467 3.215 20 30 CGEDMO C#CCCCC(=O)NC[C@@H](C)[N@@H+](CC)CCCC(C)C ZINC001153025106 805381156 /nfs/dbraw/zinc/38/11/56/805381156.db2.gz PSNOSUSFBPQTLO-MRXNPFEDSA-N 1 1 280.456 3.053 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)CNC(=O)CCC[C@@H](C)CCC ZINC001153566691 805403312 /nfs/dbraw/zinc/40/33/12/805403312.db2.gz JPZVYBQYEIGABO-JKSUJKDBSA-N 1 1 280.456 3.053 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H](C)[N@@H+](CC)CCC1CC1 ZINC001153609065 805406734 /nfs/dbraw/zinc/40/67/34/805406734.db2.gz WQEHISPSPIDFRS-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)C1CCCCCCC1 ZINC001154269210 805445014 /nfs/dbraw/zinc/44/50/14/805445014.db2.gz FTFMUZOFLJQNNW-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CCCCNc1[nH+]ccc2cc(OC)c(F)cc21 ZINC001155021019 805524960 /nfs/dbraw/zinc/52/49/60/805524960.db2.gz SRFDYPOKRHOYRY-UHFFFAOYSA-N 1 1 258.296 3.208 20 30 CGEDMO N#CC1CCC([NH+]2CCC(N)(c3ccccc3)CC2)CC1 ZINC001256962229 807017554 /nfs/dbraw/zinc/01/75/54/807017554.db2.gz DIZCQRUWXJBCKR-UHFFFAOYSA-N 1 1 283.419 3.019 20 30 CGEDMO C[C@@H]1C[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)CC[C@@H]1O ZINC001257016687 807027379 /nfs/dbraw/zinc/02/73/79/807027379.db2.gz HRHCWKUFTYLWKH-UJPJLTBQSA-N 1 1 298.430 3.287 20 30 CGEDMO C[C@H]1C[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)CCC1=O ZINC001257017525 807028012 /nfs/dbraw/zinc/02/80/12/807028012.db2.gz VSWJRTQWPCWVHT-NNGSBXSVSA-N 1 1 296.414 3.495 20 30 CGEDMO N#Cc1ccc(C2CCC([NH2+][C@@H]3CCC[C@@H]3N)CC2)cc1 ZINC001257015443 807028436 /nfs/dbraw/zinc/02/84/36/807028436.db2.gz KOTJXOHPXVAFSJ-ZGUYJTEBSA-N 1 1 283.419 3.054 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](CC)C1 ZINC001257140779 807055147 /nfs/dbraw/zinc/05/51/47/807055147.db2.gz WQLGMVHMSORFDA-KGLIPLIRSA-N 1 1 282.428 3.282 20 30 CGEDMO Cc1[nH+]c(N2CCc3ccsc3C2)ccc1CC#N ZINC001166685038 807082570 /nfs/dbraw/zinc/08/25/70/807082570.db2.gz NRUVMTZYMGGDRE-UHFFFAOYSA-N 1 1 269.373 3.080 20 30 CGEDMO C#C[C@@H]1CCCN(c2cc(OC)c3ccccc3[nH+]2)C1 ZINC001167005425 807126690 /nfs/dbraw/zinc/12/66/90/807126690.db2.gz JKTGPAQZFREMHJ-CYBMUJFWSA-N 1 1 266.344 3.093 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+](C)Cc3cncnc3)C[C@H](C1)C2 ZINC001257894171 807243465 /nfs/dbraw/zinc/24/34/65/807243465.db2.gz MIPCHQWOERAVJF-MZBDJJRSSA-N 1 1 257.381 3.043 20 30 CGEDMO CCCCN(CCC#N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167994176 807292956 /nfs/dbraw/zinc/29/29/56/807292956.db2.gz YETANRWWYJJCSN-JWTNVVGKSA-N 1 1 289.467 3.408 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](C2C[C@H]3CC[C@@H](C2)[NH+]3CC2CC2)C1 ZINC001167995373 807294490 /nfs/dbraw/zinc/29/44/90/807294490.db2.gz CSIPSCVIIRCOIH-QTXGHNMQSA-N 1 1 287.451 3.017 20 30 CGEDMO N#CC[C@@H]1CCC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167995373 807294495 /nfs/dbraw/zinc/29/44/95/807294495.db2.gz CSIPSCVIIRCOIH-QTXGHNMQSA-N 1 1 287.451 3.017 20 30 CGEDMO N#CC[C@@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)C1 ZINC001167995373 807294505 /nfs/dbraw/zinc/29/45/05/807294505.db2.gz CSIPSCVIIRCOIH-QTXGHNMQSA-N 1 1 287.451 3.017 20 30 CGEDMO N#CC[C@@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001167995373 807294508 /nfs/dbraw/zinc/29/45/08/807294508.db2.gz CSIPSCVIIRCOIH-QTXGHNMQSA-N 1 1 287.451 3.017 20 30 CGEDMO C[C@@H](Cc1ccco1)[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001258186606 807350273 /nfs/dbraw/zinc/35/02/73/807350273.db2.gz PUIRLWFMRXWBGO-ZDUSSCGKSA-N 1 1 266.344 3.141 20 30 CGEDMO CCCCCCCCC[C@H](C)[N@H+]1CCO[C@H](CO)C1 ZINC001258228538 807376226 /nfs/dbraw/zinc/37/62/26/807376226.db2.gz IHAMMFRXMXBUTL-HOTGVXAUSA-N 1 1 271.445 3.209 20 30 CGEDMO C=CC[C@@](C)([NH2+]C1CCCCCCC1)C(=O)OC ZINC001258236589 807381102 /nfs/dbraw/zinc/38/11/02/807381102.db2.gz JMTBEDWOUVUFKE-OAHLLOKOSA-N 1 1 253.386 3.197 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCc2cc(F)ccc2C1 ZINC001168442299 807415411 /nfs/dbraw/zinc/41/54/11/807415411.db2.gz TTYNGUXYHQZBPM-GQAVTEOGSA-N 1 1 284.378 3.450 20 30 CGEDMO CSC(C)(C)C[C@H](C)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001258337579 807417805 /nfs/dbraw/zinc/41/78/05/807417805.db2.gz NMNCCFLXHDTMBX-CMPLNLGQSA-N 1 1 285.478 3.181 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)CCC(=O)OC ZINC001258373924 807431377 /nfs/dbraw/zinc/43/13/77/807431377.db2.gz DAYGKKXYHRIBQZ-CQSZACIVSA-N 1 1 261.365 3.016 20 30 CGEDMO N#C[C@H]1CCC[N@H+]([C@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168734686 807498750 /nfs/dbraw/zinc/49/87/50/807498750.db2.gz KGHPOQFOAJKDRJ-JSGCOSHPSA-N 1 1 274.795 3.433 20 30 CGEDMO CCCC[N@@H+](CCC#N)C1CCC(C)(C(=O)OC)CC1 ZINC001168791257 807513411 /nfs/dbraw/zinc/51/34/11/807513411.db2.gz WJZXDQQBYOYYLE-UHFFFAOYSA-N 1 1 280.412 3.124 20 30 CGEDMO CCCCCCC[C@H](CC(C)C)n1nnc(C[NH3+])n1 ZINC001258715935 807566723 /nfs/dbraw/zinc/56/67/23/807566723.db2.gz OMSLVRXEAAFMOI-CYBMUJFWSA-N 1 1 267.421 3.080 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001258726638 807574691 /nfs/dbraw/zinc/57/46/91/807574691.db2.gz VNWNFWBQOIZJKN-QLFBSQMISA-N 1 1 294.439 3.282 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCc2ncnc(-c3ccoc3)c2CC1 ZINC001258730072 807576268 /nfs/dbraw/zinc/57/62/68/807576268.db2.gz AMTFZOJLXUPRDW-CQSZACIVSA-N 1 1 297.402 3.492 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@]2(CCC(=O)N2CC=C)CC1 ZINC001258728603 807576581 /nfs/dbraw/zinc/57/65/81/807576581.db2.gz PIUNQQQBFPNHHZ-FUHWJXTLSA-N 1 1 290.451 3.374 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](N2Cc3ccccc3C2=O)C1 ZINC001258734320 807580754 /nfs/dbraw/zinc/58/07/54/807580754.db2.gz WXKXPIKFGQIXCG-NVXWUHKLSA-N 1 1 298.430 3.462 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](Oc2ccc(OC)cn2)C1 ZINC001258736545 807582524 /nfs/dbraw/zinc/58/25/24/807582524.db2.gz VWPMDJPQEZQZIH-GDBMZVCRSA-N 1 1 290.407 3.288 20 30 CGEDMO C[C@H]1CCC[C@@H]([N@H+]2CCc3ccc(C#N)cc3C2)C1 ZINC001258820470 807637715 /nfs/dbraw/zinc/63/77/15/807637715.db2.gz YTFPGZCOZIXKAJ-SUMWQHHRSA-N 1 1 254.377 3.495 20 30 CGEDMO C#C[C@@](C)(CC)Nc1ccc([C@H]2CC[N@@H+](C)C2)cc1 ZINC001169700463 807691727 /nfs/dbraw/zinc/69/17/27/807691727.db2.gz ORRTVQUDALQPOV-RDJZCZTQSA-N 1 1 256.393 3.320 20 30 CGEDMO C#C[C@](C)(CC)Nc1ccc([C@H]2CC[N@@H+](C)C2)cc1 ZINC001169700461 807691757 /nfs/dbraw/zinc/69/17/57/807691757.db2.gz ORRTVQUDALQPOV-DOTOQJQBSA-N 1 1 256.393 3.320 20 30 CGEDMO C=CCc1cc(C)c[nH+]c1NCCc1cncs1 ZINC001169863112 807717171 /nfs/dbraw/zinc/71/71/71/807717171.db2.gz OMOCJHJGUJIWTA-UHFFFAOYSA-N 1 1 259.378 3.230 20 30 CGEDMO CC1(C)CC([N@H+]2CCC[C@@H](CC#N)C2)CC(C)(C)N1O ZINC001170002926 807737456 /nfs/dbraw/zinc/73/74/56/807737456.db2.gz JRWNXVKYDXEZNM-ZDUSSCGKSA-N 1 1 279.428 3.023 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OC)c(OC2CC2)c1)CC1CC1 ZINC001261828915 807791139 /nfs/dbraw/zinc/79/11/39/807791139.db2.gz YGGVTPPZIIGLED-UHFFFAOYSA-N 1 1 285.387 3.082 20 30 CGEDMO C[NH+](C)Cc1c(F)cc(NCC(C)(C)S)cc1F ZINC001170308872 807824213 /nfs/dbraw/zinc/82/42/13/807824213.db2.gz HKGYIYIDAVXIIS-UHFFFAOYSA-N 1 1 274.380 3.147 20 30 CGEDMO COC[C@@H]1CC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170378750 807832299 /nfs/dbraw/zinc/83/22/99/807832299.db2.gz KFOVIQYAZLDJBH-IPJUCJBFSA-N 1 1 298.430 3.359 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@H]1CC[C@@H](C(=O)OC)C1 ZINC001170561082 807855080 /nfs/dbraw/zinc/85/50/80/807855080.db2.gz NZBUFHAATIYCNG-CVEARBPZSA-N 1 1 273.376 3.016 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H]1CC[C@@H](C(=O)OC)C1 ZINC001170561083 807856335 /nfs/dbraw/zinc/85/63/35/807856335.db2.gz NZBUFHAATIYCNG-HZPDHXFCSA-N 1 1 273.376 3.016 20 30 CGEDMO C=CC[N@H+]([C@@H]1CC[C@@H](C(=O)OC)C1)C1CCCCC1 ZINC001170574571 807858062 /nfs/dbraw/zinc/85/80/62/807858062.db2.gz VOVFPHVQKNNUOQ-UKRRQHHQSA-N 1 1 265.397 3.149 20 30 CGEDMO N#C[C@H]1CC=C(Nc2cc[nH+]cc2C(F)(F)F)CC1 ZINC001212854343 815159139 /nfs/dbraw/zinc/15/91/39/815159139.db2.gz DLHDWRRFKMIQRT-VIFPVBQESA-N 1 1 267.254 3.142 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC001170804384 807910858 /nfs/dbraw/zinc/91/08/58/807910858.db2.gz NSDSRWZAHZKKOB-HOCLYGCPSA-N 1 1 256.393 3.088 20 30 CGEDMO CC[N@H+]1CCCN(Cc2cc(Cl)cc(C#N)c2)[C@@H](C)C1 ZINC001170996856 807953965 /nfs/dbraw/zinc/95/39/65/807953965.db2.gz CUJJITCUAXKGLT-ZDUSSCGKSA-N 1 1 291.826 3.128 20 30 CGEDMO C=C(CC)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001263731555 807998860 /nfs/dbraw/zinc/99/88/60/807998860.db2.gz IPXFLAWFJGWGTK-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CCCC1(F)F ZINC001171193688 808005475 /nfs/dbraw/zinc/00/54/75/808005475.db2.gz YEGXTAQVVJKTPQ-FZMZJTMJSA-N 1 1 264.319 3.267 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@](C)(F)[C@H](F)C1 ZINC001171210063 808010523 /nfs/dbraw/zinc/01/05/23/808010523.db2.gz PUQQOBSNYGBNFT-DAXOMENPSA-N 1 1 278.346 3.261 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCn2cccc2[C@H]1C ZINC001171223925 808012567 /nfs/dbraw/zinc/01/25/67/808012567.db2.gz OGGYRFPYRYISAD-LSDHHAIUSA-N 1 1 279.387 3.368 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCn2cccc2[C@H]1C ZINC001171223925 808012575 /nfs/dbraw/zinc/01/25/75/808012575.db2.gz OGGYRFPYRYISAD-LSDHHAIUSA-N 1 1 279.387 3.368 20 30 CGEDMO CC(C)[N@@H+](CCCCCO)[C@H](C)Cc1cccc(C#N)c1 ZINC001171230142 808014303 /nfs/dbraw/zinc/01/43/03/808014303.db2.gz BCIBDIBEAHEMGR-MRXNPFEDSA-N 1 1 288.435 3.362 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)CC(C)C)[C@H]1CC ZINC001264066264 808032810 /nfs/dbraw/zinc/03/28/10/808032810.db2.gz DQHPVENONPZBDL-YESZJQIVSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CCCCC[N@@H+](CC1CC1)[C@](C)(CC)C(=O)OC ZINC001171371026 808037842 /nfs/dbraw/zinc/03/78/42/808037842.db2.gz OKHPMOXLOSKYON-MRXNPFEDSA-N 1 1 267.413 3.396 20 30 CGEDMO C=CC(C)(C)C(=O)N(C)C[C@H]1CC[N@H+]1CCC1CCCC1 ZINC001264369070 808060344 /nfs/dbraw/zinc/06/03/44/808060344.db2.gz PJHLHRRFQZHDLD-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CC1(C)CC1 ZINC001264367109 808061139 /nfs/dbraw/zinc/06/11/39/808061139.db2.gz RPBRDBHGAHUWMU-HUUCEWRRSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC1(C(=O)N(C)C[C@H]2CC[N@H+]2CCC(=C)C)CCC1 ZINC001264371732 808063048 /nfs/dbraw/zinc/06/30/48/808063048.db2.gz ZQPLRTARQOUUGN-MRXNPFEDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCCC(=O)N1C[C@@H]2C[N@@H+](CCC(=C)C)CC[C@@H]2C1 ZINC001264650362 808083556 /nfs/dbraw/zinc/08/35/56/808083556.db2.gz NWANHTPDMKLZJX-SJORKVTESA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CC1CCCCC1 ZINC001264737389 808089838 /nfs/dbraw/zinc/08/98/38/808089838.db2.gz ARSPKKSBTCACQY-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)CCC)CC(C)(C)C1 ZINC001264749551 808092262 /nfs/dbraw/zinc/09/22/62/808092262.db2.gz FYZFYGDLQNLUPM-HOTGVXAUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@@H+](CC)CCCNC(=O)c1occc1C(C)C ZINC001265129140 808112266 /nfs/dbraw/zinc/11/22/66/808112266.db2.gz BEFODFZHKAIVLW-UHFFFAOYSA-N 1 1 278.396 3.031 20 30 CGEDMO C=CCC[N@@H+](CC)CCCNC(=O)[C@H]1CCC[C@@H](C)C1 ZINC001265131269 808112736 /nfs/dbraw/zinc/11/27/36/808112736.db2.gz TYCNARJHHZIARO-CVEARBPZSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2ccsc2)C1 ZINC001265203627 808119279 /nfs/dbraw/zinc/11/92/79/808119279.db2.gz NGMILODITXDWCM-DZGCQCFKSA-N 1 1 292.448 3.297 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)c2ccoc2Cl)C1 ZINC001265281075 808125798 /nfs/dbraw/zinc/12/57/98/808125798.db2.gz HZJYCGVDRWWPLZ-RYUDHWBXSA-N 1 1 296.798 3.092 20 30 CGEDMO CCC[C@](C)(C#N)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171738534 808128664 /nfs/dbraw/zinc/12/86/64/808128664.db2.gz KGZPLEAESOEPEA-BPQIPLTHSA-N 1 1 285.435 3.321 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[N@H+](CCC(=C)C)C2)CCCC1 ZINC001265320941 808131807 /nfs/dbraw/zinc/13/18/07/808131807.db2.gz CJQJHRXNLAUUKW-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H](C[N@H+](C)CC(=C)Cl)C1 ZINC001265394889 808138973 /nfs/dbraw/zinc/13/89/73/808138973.db2.gz KZSWWDZQVCLHEP-HNNXBMFYSA-N 1 1 298.858 3.266 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC001171798394 808143300 /nfs/dbraw/zinc/14/33/00/808143300.db2.gz DSBNKZPIACVKLD-HNNXBMFYSA-N 1 1 282.428 3.264 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCC2)C1 ZINC001171858076 808149359 /nfs/dbraw/zinc/14/93/59/808149359.db2.gz NGOQCXWPIDPNFS-CQSZACIVSA-N 1 1 294.439 3.426 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CC2(C)CCCC2)C1 ZINC001265702424 808170218 /nfs/dbraw/zinc/17/02/18/808170218.db2.gz DHEBPARISHUPBH-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)CC)C1 ZINC001265704872 808172573 /nfs/dbraw/zinc/17/25/73/808172573.db2.gz BFIQUTQRNDBXHT-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CCC[N@H+](C)CCCNC(=O)C1(CC(C)C)CCCC1 ZINC001265941168 808195906 /nfs/dbraw/zinc/19/59/06/808195906.db2.gz ZKHSSQDPXLONIR-UHFFFAOYSA-N 1 1 292.467 3.054 20 30 CGEDMO C#CC[N@@H+]([C@@H]1CCc2ccccc21)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172228515 808203602 /nfs/dbraw/zinc/20/36/02/808203602.db2.gz GGJSSQQDLYRVIG-RGPMPMONSA-N 1 1 281.399 3.319 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)/C=C(/C)C2CC2)C1 ZINC001266094778 808211390 /nfs/dbraw/zinc/21/13/90/808211390.db2.gz ZWVAHZUATPPQSV-AKMXKPQHSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)c1sccc1CC ZINC001266111990 808213868 /nfs/dbraw/zinc/21/38/68/808213868.db2.gz FKLSBKAHYGBVPM-UHFFFAOYSA-N 1 1 294.464 3.328 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]([N@H+](C)CCC(C)C)C1 ZINC001266103747 808213944 /nfs/dbraw/zinc/21/39/44/808213944.db2.gz XBLAOFPLKWOGPT-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC001172314413 808223960 /nfs/dbraw/zinc/22/39/60/808223960.db2.gz JKJRFJKABSUEAV-STQMWFEESA-N 1 1 278.346 3.466 20 30 CGEDMO CC(C)[N@@H+]([C@H](C)Cc1ccc(C#N)cc1)C1CCOCC1 ZINC001172312371 808224664 /nfs/dbraw/zinc/22/46/64/808224664.db2.gz GJXFJMDBEVYVSQ-OAHLLOKOSA-N 1 1 286.419 3.379 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC(F)(F)[C@H](F)C1 ZINC001172315153 808225484 /nfs/dbraw/zinc/22/54/84/808225484.db2.gz NUHPNNUBWCFMEF-SMDDNHRTSA-N 1 1 282.309 3.168 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC(F)(F)[C@H](F)C1 ZINC001172315153 808225487 /nfs/dbraw/zinc/22/54/87/808225487.db2.gz NUHPNNUBWCFMEF-SMDDNHRTSA-N 1 1 282.309 3.168 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)/C=C(/C)C2CC2)C1 ZINC001266205771 808227505 /nfs/dbraw/zinc/22/75/05/808227505.db2.gz QJKFIMACYPZDSP-KTWGLELUSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001266221989 808230073 /nfs/dbraw/zinc/23/00/73/808230073.db2.gz LVQDXFMIJNLVBY-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CCC(=O)NCC[N@H+](C)Cc1ccc(C)c(C)c1 ZINC001266278841 808237203 /nfs/dbraw/zinc/23/72/03/808237203.db2.gz TXYFXYYDAPBRKO-UHFFFAOYSA-N 1 1 288.435 3.208 20 30 CGEDMO CC[C@H](C)OCC[C@@H](C)[N@H+]1CCC[C@H](CC#N)C1 ZINC001172342776 808241205 /nfs/dbraw/zinc/24/12/05/808241205.db2.gz NOQNJQCLMXJJSE-QLFBSQMISA-N 1 1 252.402 3.206 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001266333523 808242930 /nfs/dbraw/zinc/24/29/30/808242930.db2.gz ORKDWPSSVFSCSB-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC1(CC(=O)NCC[N@@H+](C)C/C=C\Cl)CCCCC1 ZINC001266337741 808245360 /nfs/dbraw/zinc/24/53/60/808245360.db2.gz ODNVHOKUUGJUSJ-YFHOEESVSA-N 1 1 298.858 3.314 20 30 CGEDMO C=CC1(CC(=O)NCC[N@H+](C)C/C=C\Cl)CCCCC1 ZINC001266337741 808245365 /nfs/dbraw/zinc/24/53/65/808245365.db2.gz ODNVHOKUUGJUSJ-YFHOEESVSA-N 1 1 298.858 3.314 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H](CCCC)C(C)C)C1 ZINC001266362061 808249678 /nfs/dbraw/zinc/24/96/78/808249678.db2.gz XMEKKKFLUVWCSI-HZPDHXFCSA-N 1 1 280.456 3.215 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@@H+]1CCO[C@H](CN(C)C)C1 ZINC001172357222 808252629 /nfs/dbraw/zinc/25/26/29/808252629.db2.gz JOEJUSDXNFCNSN-IAGOWNOFSA-N 1 1 284.488 3.388 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CCO[C@H](CN(C)C)C1 ZINC001172357222 808252632 /nfs/dbraw/zinc/25/26/32/808252632.db2.gz JOEJUSDXNFCNSN-IAGOWNOFSA-N 1 1 284.488 3.388 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CCO[C@H](C(C)=O)C1 ZINC001172360043 808255479 /nfs/dbraw/zinc/25/54/79/808255479.db2.gz IECIGPRSOVMCHF-HOTGVXAUSA-N 1 1 269.429 3.415 20 30 CGEDMO CC#CC[N@H+]1CCC[C@H]1CNC(=O)CCCCC(C)(C)C ZINC001266464973 808270078 /nfs/dbraw/zinc/27/00/78/808270078.db2.gz MKXZTEFLLINOGJ-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H](CC)C(C)C ZINC001266488013 808273815 /nfs/dbraw/zinc/27/38/15/808273815.db2.gz AMXVWTIHRZIMBK-HZPDHXFCSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H](CNC(=O)C2CCCCCC2)C1 ZINC001266502620 808277595 /nfs/dbraw/zinc/27/75/95/808277595.db2.gz GXESBCYGYYLGOR-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](CNC(=O)C(C)(C)C(C)C)C1 ZINC001266513875 808278958 /nfs/dbraw/zinc/27/89/58/808278958.db2.gz IDQAAASVCQZBBA-HZPDHXFCSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H](CNC(=O)C2CCC(=C)CC2)C1 ZINC001266534221 808282142 /nfs/dbraw/zinc/28/21/42/808282142.db2.gz XHMFCKFOVVHMCX-INIZCTEOSA-N 1 1 290.451 3.137 20 30 CGEDMO C#Cc1nccnc1Nc1ccc([NH+](CC)CC)cc1 ZINC001212968950 815191188 /nfs/dbraw/zinc/19/11/88/815191188.db2.gz CYOHIXNIZXTJKU-UHFFFAOYSA-N 1 1 266.348 3.048 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)CC(CC)CC)C1 ZINC001266540568 808283373 /nfs/dbraw/zinc/28/33/73/808283373.db2.gz ZEXRPXNMTGKYDD-MRXNPFEDSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@@H+](CCC)CCNC(=O)c1cccc(F)c1C ZINC001266562870 808287654 /nfs/dbraw/zinc/28/76/54/808287654.db2.gz RSKDZZYFCVPUBH-UHFFFAOYSA-N 1 1 292.398 3.152 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)c1ccc2[nH]ccc2c1 ZINC001266568280 808288117 /nfs/dbraw/zinc/28/81/17/808288117.db2.gz JPNZYQLPJUTGKF-UHFFFAOYSA-N 1 1 299.418 3.186 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H]1CCC[N@H+](CC2CC(C)C2)C1 ZINC001266752093 808312422 /nfs/dbraw/zinc/31/24/22/808312422.db2.gz NZRAWBJXZOAIHV-AQFXKWCLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@H]1CCC[N@H+](CC[C@H](C)F)C1 ZINC001266764267 808313896 /nfs/dbraw/zinc/31/38/96/808313896.db2.gz NUIIWCFDBZFRKS-LSDHHAIUSA-N 1 1 298.446 3.165 20 30 CGEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)C=C1CCCCC1 ZINC001266837183 808322430 /nfs/dbraw/zinc/32/24/30/808322430.db2.gz KOECSFOPFXHYJA-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2(C)CCCCC2)C1 ZINC001266895480 808330680 /nfs/dbraw/zinc/33/06/80/808330680.db2.gz OOZUSYWMSAPYKU-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001172494181 808353248 /nfs/dbraw/zinc/35/32/48/808353248.db2.gz RRBADMFGPOIHFB-KGLIPLIRSA-N 1 1 295.427 3.058 20 30 CGEDMO C[C@@H](CCCC#N)[N@@H+](C)CCCCNC(=O)OC(C)(C)C ZINC001172499207 808355935 /nfs/dbraw/zinc/35/59/35/808355935.db2.gz VPAPKQDPUQQTJA-AWEZNQCLSA-N 1 1 297.443 3.305 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]([N@@H+](C)CC2CCCC2)C1 ZINC001267101372 808358736 /nfs/dbraw/zinc/35/87/36/808358736.db2.gz SNHWQRKQMHHJNI-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC001172504246 808360193 /nfs/dbraw/zinc/36/01/93/808360193.db2.gz FIGRWUQHTASVGN-GDBMZVCRSA-N 1 1 258.365 3.222 20 30 CGEDMO CCCCCCCC[C@H](CC)[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC001172504082 808360352 /nfs/dbraw/zinc/36/03/52/808360352.db2.gz CTRHGQVMWOVUBZ-ULQDDVLXSA-N 1 1 285.472 3.191 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)CC=C)C1 ZINC001267111051 808360662 /nfs/dbraw/zinc/36/06/62/808360662.db2.gz FDUIDPZTMHZJKJ-OAHLLOKOSA-N 1 1 278.440 3.088 20 30 CGEDMO CCCCCCN1CC[NH+]([C@@H](C)CCCC#N)CC1 ZINC001172506770 808361870 /nfs/dbraw/zinc/36/18/70/808361870.db2.gz IXDLWJVATWDKQX-INIZCTEOSA-N 1 1 265.445 3.267 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC001172506952 808363177 /nfs/dbraw/zinc/36/31/77/808363177.db2.gz MKDRGWCIVFFBDF-KGLIPLIRSA-N 1 1 295.427 3.058 20 30 CGEDMO Cc1ccnc(O[C@H]2CCC[N@H+]([C@H](C)CCCC#N)C2)c1 ZINC001172509824 808366700 /nfs/dbraw/zinc/36/67/00/808366700.db2.gz REEHTWAVLSDHNL-CVEARBPZSA-N 1 1 287.407 3.316 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)/C(C)=C\CC ZINC001267161454 808371647 /nfs/dbraw/zinc/37/16/47/808371647.db2.gz SFZIKJLGMYZSFJ-YMDFIQGPSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CC[C@H]([NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1)C(=O)OC ZINC001172541082 808372704 /nfs/dbraw/zinc/37/27/04/808372704.db2.gz SMAGDVHRMHIFTK-ZACQAIPSSA-N 1 1 287.403 3.420 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)C(F)=C1CCCC1 ZINC001267193068 808378001 /nfs/dbraw/zinc/37/80/01/808378001.db2.gz XBROVSFRFCXSON-CYBMUJFWSA-N 1 1 282.403 3.187 20 30 CGEDMO C=C(C)C[N@@H+](C)CCNC(=O)c1ccc(C)c2ccccc12 ZINC001267218662 808384805 /nfs/dbraw/zinc/38/48/05/808384805.db2.gz CZTDOHFBHGMFFH-UHFFFAOYSA-N 1 1 296.414 3.386 20 30 CGEDMO C=C(C)CC[N@H+](CCCNC(=O)c1ccccc1)C(C)C ZINC001267228212 808387803 /nfs/dbraw/zinc/38/78/03/808387803.db2.gz KRILGQNAMDDOJR-UHFFFAOYSA-N 1 1 288.435 3.483 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccoc1Cl ZINC001267266434 808400760 /nfs/dbraw/zinc/40/07/60/808400760.db2.gz JEPDMJCPFUGZJI-LBPRGKRZSA-N 1 1 296.798 3.093 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C1(C)CCC1 ZINC001267271934 808401677 /nfs/dbraw/zinc/40/16/77/808401677.db2.gz FXNRJOGGENODRR-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@H](CC)CCCC ZINC001267274857 808403027 /nfs/dbraw/zinc/40/30/27/808403027.db2.gz DACRMNYMRFFJQN-SJORKVTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC[N@H+]1CCCCCF ZINC001267272172 808403266 /nfs/dbraw/zinc/40/32/66/808403266.db2.gz JSYKSPVADBFCTF-HNNXBMFYSA-N 1 1 298.446 3.309 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)C1(F)CCCC1)C(C)C ZINC001267284761 808405413 /nfs/dbraw/zinc/40/54/13/808405413.db2.gz RFUWOJFZPVLTLJ-UHFFFAOYSA-N 1 1 284.419 3.062 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H]2CC[N@H+](CCCC(C)C)C2)C1 ZINC001267301840 808408594 /nfs/dbraw/zinc/40/85/94/808408594.db2.gz HASHYMAEIWWSFH-INIZCTEOSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@H]1CC[N@H+](CC/C=C/CC)C1 ZINC001267303356 808408750 /nfs/dbraw/zinc/40/87/50/808408750.db2.gz MABORJJZLSUXGO-KXPUMZMLSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](CCC)CC(C)C)C1 ZINC001267310038 808410565 /nfs/dbraw/zinc/41/05/65/808410565.db2.gz PXXQDVNYOVXAJM-DLBZAZTESA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)C1C[C@@H](C)C[C@H](C)C1)C1CC1 ZINC001267337622 808417458 /nfs/dbraw/zinc/41/74/58/808417458.db2.gz CHSYPVAZLCXHGZ-GJZGRUSLSA-N 1 1 292.467 3.215 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172722028 808419261 /nfs/dbraw/zinc/41/92/61/808419261.db2.gz NAEXRQVPVNTOEN-MLGOLLRUSA-N 1 1 259.780 3.152 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+]([C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172724493 808421228 /nfs/dbraw/zinc/42/12/28/808421228.db2.gz NDALNAAKEWOABQ-LSDHHAIUSA-N 1 1 260.768 3.043 20 30 CGEDMO C[C@]1(C#N)CC[N@H+]([C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172724493 808421230 /nfs/dbraw/zinc/42/12/30/808421230.db2.gz NDALNAAKEWOABQ-LSDHHAIUSA-N 1 1 260.768 3.043 20 30 CGEDMO C=CC[C@H]([NH2+]C1CCC2(CCCC2)CC1)C(=O)OC ZINC001172724225 808421239 /nfs/dbraw/zinc/42/12/39/808421239.db2.gz OMRXLIVFAMTXFD-AWEZNQCLSA-N 1 1 265.397 3.197 20 30 CGEDMO C=CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](C)F ZINC001267428714 808424766 /nfs/dbraw/zinc/42/47/66/808424766.db2.gz ZDMALOJFDZQLLM-SOUVJXGZSA-N 1 1 296.430 3.012 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCCC ZINC001267423668 808425311 /nfs/dbraw/zinc/42/53/11/808425311.db2.gz SCUJSLAVSFFBAY-YESZJQIVSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)CCC(=O)NCC[C@@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001267536657 808440531 /nfs/dbraw/zinc/44/05/31/808440531.db2.gz XPLQXIZSDIVFJK-MRXNPFEDSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)CCC(=O)NCC[C@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001267536656 808441031 /nfs/dbraw/zinc/44/10/31/808441031.db2.gz XPLQXIZSDIVFJK-INIZCTEOSA-N 1 1 278.440 3.137 20 30 CGEDMO COC(=O)[C@H]1CCC[C@@H]([N@@H+](CCC#N)C2CCCC2)CC1 ZINC001172791685 808441313 /nfs/dbraw/zinc/44/13/13/808441313.db2.gz MESBIYITYZBJBM-GOEBONIOSA-N 1 1 292.423 3.267 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](N(CCC)C(=O)C2CCC2)C1 ZINC001267539744 808442198 /nfs/dbraw/zinc/44/21/98/808442198.db2.gz PVCUCAWOZDYTDM-DOTOQJQBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCC[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001267565489 808447655 /nfs/dbraw/zinc/44/76/55/808447655.db2.gz NVDVXYJNBMFNJB-WMZOPIPTSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)C2CC(C)(C)C2)C1 ZINC001267580864 808451394 /nfs/dbraw/zinc/45/13/94/808451394.db2.gz FVAANXYCHNFHNE-OAHLLOKOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2C)C1 ZINC001267587202 808453117 /nfs/dbraw/zinc/45/31/17/808453117.db2.gz JINLLKZRNVLKSB-ULQDDVLXSA-N 1 1 292.467 3.169 20 30 CGEDMO Cc1ccc2c(c1)C[C@H]([N@H+]1CC[C@@](C)(C#N)C1)CC2 ZINC001172837998 808453290 /nfs/dbraw/zinc/45/32/90/808453290.db2.gz KGZYCCHZFPCWPQ-SJORKVTESA-N 1 1 254.377 3.088 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001267619542 808458366 /nfs/dbraw/zinc/45/83/66/808458366.db2.gz RPCBYOGBHZJSHG-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CCCCCC(=O)NC1C[NH+]([C@H](C)c2cccc(C)c2)C1 ZINC001267643894 808464445 /nfs/dbraw/zinc/46/44/45/808464445.db2.gz YOXNRTMBXFZYLR-MRXNPFEDSA-N 1 1 298.430 3.050 20 30 CGEDMO C=CCCCCC[NH+]1CC(NC(=O)C[C@H]2CC=CCC2)C1 ZINC001267655564 808466045 /nfs/dbraw/zinc/46/60/45/808466045.db2.gz UIEQUYBBQDWXDC-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCCCC[NH+]1CC(NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001267655565 808466126 /nfs/dbraw/zinc/46/61/26/808466126.db2.gz UIEQUYBBQDWXDC-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)CCC2CC2)CC1 ZINC001267719176 808477070 /nfs/dbraw/zinc/47/70/70/808477070.db2.gz YRXKKSNWJNTLED-UHFFFAOYSA-N 1 1 298.858 3.100 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001267723801 808477245 /nfs/dbraw/zinc/47/72/45/808477245.db2.gz KVBLOVLRBONZBY-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2ccc(C=C)cc2)C1 ZINC001267728775 808479005 /nfs/dbraw/zinc/47/90/05/808479005.db2.gz LWLUNDPDMBBWRL-QAPCUYQASA-N 1 1 298.430 3.488 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2ccc(F)s2)C1 ZINC001267735171 808481366 /nfs/dbraw/zinc/48/13/66/808481366.db2.gz MWYMQWWVMBRHGN-NEPJUHHUSA-N 1 1 296.411 3.046 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](CC/C=C/CC)C2)CC1 ZINC001267749855 808482618 /nfs/dbraw/zinc/48/26/18/808482618.db2.gz UUEGNPULLHAERO-LAQIPUCWSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@H+](C)CC1CCN(C(=O)[C@@]2(C)CCC[C@@H]2C)CC1 ZINC001267745772 808482791 /nfs/dbraw/zinc/48/27/91/808482791.db2.gz FGCLXSONFZDSCM-YJBOKZPZSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)C2(C)CC(=C)C2)C1 ZINC001267771276 808487770 /nfs/dbraw/zinc/48/77/70/808487770.db2.gz CRSQWWQWASSGNK-HOTGVXAUSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](CC)CC(C)C)C1 ZINC001267774992 808488915 /nfs/dbraw/zinc/48/89/15/808488915.db2.gz MNWQXZYRMMIMHJ-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)CCCC)C1 ZINC001267780646 808489882 /nfs/dbraw/zinc/48/98/82/808489882.db2.gz RZZHIURTGFPWQM-HNNXBMFYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCCCC(=O)N(CC)[C@H]1CC[N@H+](C[C@H](C)CC)C1 ZINC001267788681 808491735 /nfs/dbraw/zinc/49/17/35/808491735.db2.gz CGXDWHNNGQUBQL-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H](C=C)c2ccccc2)C1 ZINC001267794384 808495586 /nfs/dbraw/zinc/49/55/86/808495586.db2.gz NVBRRRXRPBNRDP-ZWKOTPCHSA-N 1 1 298.430 3.065 20 30 CGEDMO CCCC[N@H+](CC#N)C1CCC2(CCOCC2)CC1 ZINC001173048658 808499381 /nfs/dbraw/zinc/49/93/81/808499381.db2.gz SZQWCWORSVGNSG-UHFFFAOYSA-N 1 1 264.413 3.351 20 30 CGEDMO CCCC[N@@H+](CC#N)C1CCC2(CCOCC2)CC1 ZINC001173048658 808499384 /nfs/dbraw/zinc/49/93/84/808499384.db2.gz SZQWCWORSVGNSG-UHFFFAOYSA-N 1 1 264.413 3.351 20 30 CGEDMO CC[N@H+](CCC#N)[C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173071332 808502843 /nfs/dbraw/zinc/50/28/43/808502843.db2.gz OJZWXAQJSZRLKH-KBPBESRZSA-N 1 1 295.427 3.010 20 30 CGEDMO CC[N@@H+](CCC#N)[C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173071332 808502849 /nfs/dbraw/zinc/50/28/49/808502849.db2.gz OJZWXAQJSZRLKH-KBPBESRZSA-N 1 1 295.427 3.010 20 30 CGEDMO C=CCC[N@H+](C)CCC1CCN(C(=O)[C@@H](C)C2CC2)CC1 ZINC001268201009 808554781 /nfs/dbraw/zinc/55/47/81/808554781.db2.gz UBLZWXOKOBSVBI-HNNXBMFYSA-N 1 1 292.467 3.169 20 30 CGEDMO CC#CC[N@H+](C)CCC1CCN(C(=O)[C@@H](C)CCC)CC1 ZINC001268200003 808555103 /nfs/dbraw/zinc/55/51/03/808555103.db2.gz HXCXBZKPPAQJCS-INIZCTEOSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC23CC3)C1 ZINC001268202443 808556101 /nfs/dbraw/zinc/55/61/01/808556101.db2.gz WOJIYRKQKSKIHD-JKSUJKDBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CCC[N@H+](CCCCCC)C1 ZINC001268216805 808559629 /nfs/dbraw/zinc/55/96/29/808559629.db2.gz QSWRPYRKFPBOMR-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)C1(C)CC=CC1 ZINC001268246738 808568069 /nfs/dbraw/zinc/56/80/69/808568069.db2.gz CQAICHIKRYYRIS-OAHLLOKOSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCCCC[NH+]1CC(NC(=O)[C@H]2CCC[C@@H]2CC)C1 ZINC001268447124 808587638 /nfs/dbraw/zinc/58/76/38/808587638.db2.gz PHPJVRYOMMXTSR-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCOC1CCC([N@@H+](C)Cc2cccnc2C)CC1 ZINC001173323362 808611244 /nfs/dbraw/zinc/61/12/44/808611244.db2.gz WCTPECINSOREKT-UHFFFAOYSA-N 1 1 274.408 3.336 20 30 CGEDMO C=CCOC1CCC([N@H+]2CCC[C@H](C#N)CC2)CC1 ZINC001173327133 808612912 /nfs/dbraw/zinc/61/29/12/808612912.db2.gz GQIUECLFFZEVFE-FHERZECASA-N 1 1 262.397 3.126 20 30 CGEDMO C=CCOC1CCC([N@@H+](CC)Cc2cccnc2)CC1 ZINC001173327081 808612952 /nfs/dbraw/zinc/61/29/52/808612952.db2.gz DYXOWVRMOGYYKB-UHFFFAOYSA-N 1 1 274.408 3.417 20 30 CGEDMO CC(C)(C)OC(=O)C(C)(C)[NH2+]C1CCC(CC#N)CC1 ZINC001173329352 808615061 /nfs/dbraw/zinc/61/50/61/808615061.db2.gz DGDNVDQMTQIASJ-UHFFFAOYSA-N 1 1 280.412 3.169 20 30 CGEDMO C[C@@H]1C[N@H+](C2CCC(CC#N)CC2)CCC1(F)F ZINC001173331950 808616501 /nfs/dbraw/zinc/61/65/01/808616501.db2.gz VJJUUGOSPRWCSU-PNESKVBLSA-N 1 1 256.340 3.436 20 30 CGEDMO C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCC(CC#N)CC1 ZINC001173337614 808618420 /nfs/dbraw/zinc/61/84/20/808618420.db2.gz QMVNYVAZCTYJCC-UHFFFAOYSA-N 1 1 286.375 3.320 20 30 CGEDMO N#CCC1CCC([N@H+]2CCC[C@H](C(F)F)C2)CC1 ZINC001173338650 808618618 /nfs/dbraw/zinc/61/86/18/808618618.db2.gz GJWRLWUCHUTUBL-CPCZMJQVSA-N 1 1 256.340 3.436 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)CCC ZINC001268742393 808619256 /nfs/dbraw/zinc/61/92/56/808619256.db2.gz HIZKMPDVHQUFNI-CQSZACIVSA-N 1 1 268.445 3.215 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)CC1CC(C)C1 ZINC001268739882 808620671 /nfs/dbraw/zinc/62/06/71/808620671.db2.gz FUAJDZQIKPREPD-SLTAFYQDSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c(C)cccc1C ZINC001268969841 808639123 /nfs/dbraw/zinc/63/91/23/808639123.db2.gz MIJATRUUGPIXIM-IRXDYDNUSA-N 1 1 298.430 3.168 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)C/C=C(/C)C=C)C1 ZINC001269056565 808644284 /nfs/dbraw/zinc/64/42/84/808644284.db2.gz GXOLAFNIJMFQPU-BRAFPAACSA-N 1 1 276.424 3.054 20 30 CGEDMO CCCCCCCC(=O)N1CCC2(CC[N@@H+](C)C2)CC1 ZINC001269074407 808646090 /nfs/dbraw/zinc/64/60/90/808646090.db2.gz BAOVTDHGPFTURG-UHFFFAOYSA-N 1 1 280.456 3.291 20 30 CGEDMO CC1(C#N)CCC([NH2+]C2CCN(CC3CCC3)CC2)CC1 ZINC001173590580 808647238 /nfs/dbraw/zinc/64/72/38/808647238.db2.gz CTFXEYPICXJCIM-UHFFFAOYSA-N 1 1 289.467 3.313 20 30 CGEDMO C=C[C@@H](C(=O)N[C@H]1CC[N@H+](CC=C(C)C)C1)c1ccccc1 ZINC001269091892 808647829 /nfs/dbraw/zinc/64/78/29/808647829.db2.gz BNXXXIUHBLAGRA-ZWKOTPCHSA-N 1 1 298.430 3.113 20 30 CGEDMO CC(C)[N@@H+](C1CCOCC1)C1CCC(C)(C#N)CC1 ZINC001173596889 808650218 /nfs/dbraw/zinc/65/02/18/808650218.db2.gz HCRHVVNXWDFPDC-UHFFFAOYSA-N 1 1 264.413 3.348 20 30 CGEDMO Cc1cnccc1O[C@@H]1CC[N@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173597310 808650884 /nfs/dbraw/zinc/65/08/84/808650884.db2.gz OVCJADTYHZRDFD-UPTPFMHGSA-N 1 1 299.418 3.316 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC23CCC3)C1 ZINC001269172329 808651504 /nfs/dbraw/zinc/65/15/04/808651504.db2.gz NNRGVPCXAOMSAU-CVEARBPZSA-N 1 1 292.467 3.338 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccoc1C ZINC001269195176 808654873 /nfs/dbraw/zinc/65/48/73/808654873.db2.gz MPCZGNPYAKTFME-OAHLLOKOSA-N 1 1 290.407 3.139 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]1CNC(=O)CC/C=C/c1ccccc1 ZINC001269293082 808665241 /nfs/dbraw/zinc/66/52/41/808665241.db2.gz UYTLTFIYHDCRKN-JGZYNSJSSA-N 1 1 298.430 3.247 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)CCC2CCC2)C1 ZINC001269317978 808669883 /nfs/dbraw/zinc/66/98/83/808669883.db2.gz IMMOMMAYBOTMCC-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)CCCCC(C)C)C1 ZINC001269348892 808673158 /nfs/dbraw/zinc/67/31/58/808673158.db2.gz OPGYNTIJDKWLPZ-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)C(CC(C)C)CC(C)C ZINC001269353028 808673562 /nfs/dbraw/zinc/67/35/62/808673562.db2.gz YPZOIWYAHDMXPS-QGZVFWFLSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(=C)C ZINC001269670842 808696118 /nfs/dbraw/zinc/69/61/18/808696118.db2.gz OFJNMFBSRZXGGA-YESZJQIVSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CC(C)(C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC ZINC001269663347 808696179 /nfs/dbraw/zinc/69/61/79/808696179.db2.gz AXUBXRPUPYVKSW-GASCZTMLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)C)C2)C1 ZINC001269700446 808700042 /nfs/dbraw/zinc/70/00/42/808700042.db2.gz XWOUIYYJERJMFW-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCCCC[NH+]1CC(N(C)C(=O)C2(C)CCCC2)C1 ZINC001269825533 808706609 /nfs/dbraw/zinc/70/66/09/808706609.db2.gz HVCXZNWZQKYZLS-UHFFFAOYSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCC)C2 ZINC001271720408 808781581 /nfs/dbraw/zinc/78/15/81/808781581.db2.gz ABDJBAKONDKPAF-MUJYYYPQSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCC1CCN(C(=O)CC2CC2)CC1 ZINC001271759903 808782673 /nfs/dbraw/zinc/78/26/73/808782673.db2.gz YGVJUKXERRMAIC-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@H+](C)CCC1CCN(C(=O)[C@H]2C[C@H]2C(C)C)CC1 ZINC001271790142 808783693 /nfs/dbraw/zinc/78/36/93/808783693.db2.gz GMVPAGNZZDDGIG-IRXDYDNUSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N(C)CC[N@H+](C)CCC(C)C ZINC001272080435 808796903 /nfs/dbraw/zinc/79/69/03/808796903.db2.gz NIQLFISHPAMHHH-UHFFFAOYSA-N 1 1 268.445 3.025 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@H+](CCCCC)CC2)C1=O ZINC001272469512 808811157 /nfs/dbraw/zinc/81/11/57/808811157.db2.gz CDPGHFMZGDWUDL-QGZVFWFLSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCN1CC[C@]2(CC[N@@H+](CCC3CCCCC3)C2)C1=O ZINC001272863552 808825864 /nfs/dbraw/zinc/82/58/64/808825864.db2.gz YTMQSIJXELMBPR-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@]12CC(=O)N(CC(C)C)C2 ZINC001273491816 808848194 /nfs/dbraw/zinc/84/81/94/808848194.db2.gz KVTXWEIMAVIGMW-QGZVFWFLSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@H+](C)CCCN(C)C(=O)c1ccc(F)cc1Cl ZINC001273583895 808856307 /nfs/dbraw/zinc/85/63/07/808856307.db2.gz FFLBVFQPCWRJCN-UHFFFAOYSA-N 1 1 298.789 3.059 20 30 CGEDMO CC#CC[N@@H+](C)CCCN(C)C(=O)CCC1CCCCC1 ZINC001273584805 808856529 /nfs/dbraw/zinc/85/65/29/808856529.db2.gz XSSDIGRJRAGZME-UHFFFAOYSA-N 1 1 292.467 3.151 20 30 CGEDMO C=C(C)CN1c2ccccc2[C@@]2(CC[N@H+]([C@H](C)CC)C2)C1=O ZINC001273920756 808864728 /nfs/dbraw/zinc/86/47/28/808864728.db2.gz CROWHBHJLFQIMP-BEFAXECRSA-N 1 1 298.430 3.351 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCCC)C(C)(C)C1 ZINC001274414070 808874441 /nfs/dbraw/zinc/87/44/41/808874441.db2.gz ADIHEHAAOXZHQR-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H](NC(=O)C2CCCC2)C(C)(C)C1 ZINC001274406243 808874752 /nfs/dbraw/zinc/87/47/52/808874752.db2.gz HSADDKIPLXUCIO-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@H+](CC(=C)C)CC1(C)C ZINC001274446105 808875576 /nfs/dbraw/zinc/87/55/76/808875576.db2.gz MMNNUHLXCYHYRC-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)C2CC2)C(C)(C)C1 ZINC001274426140 808875727 /nfs/dbraw/zinc/87/57/27/808875727.db2.gz QXDQKZOOQCHGIL-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1scnc1C ZINC001274962995 808895306 /nfs/dbraw/zinc/89/53/06/808895306.db2.gz ZFMLDCJYWQCTGL-GJZGRUSLSA-N 1 1 291.464 3.066 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)CSC(C)C ZINC001275086978 808906046 /nfs/dbraw/zinc/90/60/46/808906046.db2.gz IMNPXPUYHNCGRP-HNNXBMFYSA-N 1 1 298.496 3.017 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]1C[N@H+](C)CC[C@@H](C)F ZINC001275113659 808911125 /nfs/dbraw/zinc/91/11/25/808911125.db2.gz BZDCZKLMBISZRZ-HUUCEWRRSA-N 1 1 284.419 3.014 20 30 CGEDMO C#Cc1ccc(CN2CC3(C2)CC[N@H+](C2CCCC2)C3)cc1 ZINC001275131438 808913979 /nfs/dbraw/zinc/91/39/79/808913979.db2.gz DSNHDDFAYKUIPW-UHFFFAOYSA-N 1 1 294.442 3.118 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](CC)CCC ZINC001275150531 808917746 /nfs/dbraw/zinc/91/77/46/808917746.db2.gz ITRCVKHKDIEUQJ-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]([C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC001275183754 808920202 /nfs/dbraw/zinc/92/02/02/808920202.db2.gz IFAFJJMIIYOBQO-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc(F)cc1Cl ZINC001275712333 808960019 /nfs/dbraw/zinc/96/00/19/808960019.db2.gz GONYEQUMOYAWIJ-LLVKDONJSA-N 1 1 298.789 3.105 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)C[C@H]1C=CCCC1 ZINC001275858276 808971004 /nfs/dbraw/zinc/97/10/04/808971004.db2.gz HYUIOVGPAVDISW-HOTGVXAUSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCCC1(C)C ZINC001276010790 808983380 /nfs/dbraw/zinc/98/33/80/808983380.db2.gz KEZZGRFZOLQHJX-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO N#Cc1ncccc1NC1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001174392704 808991312 /nfs/dbraw/zinc/99/13/12/808991312.db2.gz IFSLIWLYTMZXIE-UHFFFAOYSA-N 1 1 290.370 3.155 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](CCC(C)C)CC1(C)C ZINC001276585994 809017951 /nfs/dbraw/zinc/01/79/51/809017951.db2.gz ACQGACLKYXRRTK-OAHLLOKOSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)C(F)=C1CCCC1 ZINC001276833822 809034767 /nfs/dbraw/zinc/03/47/67/809034767.db2.gz GOZHEINWIOXJSP-DZGCQCFKSA-N 1 1 294.414 3.329 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](CC)CC1CCCC1 ZINC001276930371 809046871 /nfs/dbraw/zinc/04/68/71/809046871.db2.gz GIPFMACXUTZJFD-DLBZAZTESA-N 1 1 292.467 3.360 20 30 CGEDMO N#Cc1cc(N2CC3(C2)CC[N@H+](C2CCCC2)C3)ccc1F ZINC001277035208 809055638 /nfs/dbraw/zinc/05/56/38/809055638.db2.gz KXCFWIFMHHIMQW-UHFFFAOYSA-N 1 1 299.393 3.152 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)N(C)C ZINC001277225077 809064662 /nfs/dbraw/zinc/06/46/62/809064662.db2.gz FTWIOVOHMAPVKK-MUJYYYPQSA-N 1 1 280.456 3.003 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)/C=C\C(C)(C)C)CC1 ZINC001277384980 809072499 /nfs/dbraw/zinc/07/24/99/809072499.db2.gz GACZNDXALKFLDD-FLIBITNWSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)C[C@@H]2C=CCCC2)CC1 ZINC001277410790 809073086 /nfs/dbraw/zinc/07/30/86/809073086.db2.gz DOQWWBBXYLAXQO-MRXNPFEDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC([N@@H+](C)CC=C(C)C)CC2)C1 ZINC001277422222 809073542 /nfs/dbraw/zinc/07/35/42/809073542.db2.gz BJGKTPUZQDSRRW-UHFFFAOYSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCCC(=O)N[C@@]1(C)CC[N@H+](CCCCC)C1 ZINC001278419714 809130935 /nfs/dbraw/zinc/13/09/35/809130935.db2.gz FISFBZIIDLRNOS-INIZCTEOSA-N 1 1 266.429 3.114 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@]2(NC(=O)C3CC3)CCC[C@@H]12 ZINC001278431362 809132699 /nfs/dbraw/zinc/13/26/99/809132699.db2.gz MSVOJRIHKKCMCU-SJLPKXTDSA-N 1 1 290.451 3.256 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)CC(C)(C)C)CCC[C@@H]12 ZINC001278430857 809132884 /nfs/dbraw/zinc/13/28/84/809132884.db2.gz JZGUTQBWXQXOSL-PBHICJAKSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)C2CCC=CCC2)C1 ZINC001278444264 809133343 /nfs/dbraw/zinc/13/33/43/809133343.db2.gz POIXQIXXEBUNIY-GOSISDBHSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC(=O)N[C@H]1CCC[N@@H+](CCC(C)(C)C)[C@@H]1C ZINC001278500794 809137357 /nfs/dbraw/zinc/13/73/57/809137357.db2.gz OGNBAOMMXRAQQY-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@](C)(CNC(=O)C2CC2)C1 ZINC001278641703 809148512 /nfs/dbraw/zinc/14/85/12/809148512.db2.gz NYEIYKYWJBTUKY-GOSISDBHSA-N 1 1 292.467 3.361 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)C(C)(CC)CC)C1 ZINC001278693327 809153005 /nfs/dbraw/zinc/15/30/05/809153005.db2.gz IJNUOKCJMYTHAI-KRWDZBQOSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]2C[N@H+](CCCCCF)C[C@H]21 ZINC001279605543 809175646 /nfs/dbraw/zinc/17/56/46/809175646.db2.gz GRMDMDLAZHXQEG-JKSUJKDBSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)[C@H](C)c2cccc(C)c2)CC1 ZINC001279644125 809177380 /nfs/dbraw/zinc/17/73/80/809177380.db2.gz NEIXMRASJCIMKZ-MRXNPFEDSA-N 1 1 298.430 3.033 20 30 CGEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](C3CCCCC3)C2)C1=O ZINC001174863738 809181787 /nfs/dbraw/zinc/18/17/87/809181787.db2.gz TWUSDUVXRMAKAH-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](C)CC ZINC001280315009 809184479 /nfs/dbraw/zinc/18/44/79/809184479.db2.gz HJLHDDNXCKMVCJ-HNNXBMFYSA-N 1 1 288.435 3.357 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2cocc2C)CC1 ZINC001280743309 809196174 /nfs/dbraw/zinc/19/61/74/809196174.db2.gz HBHLYGFCZOIAEH-OAHLLOKOSA-N 1 1 290.407 3.139 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](CC)CCCCC)CC1 ZINC001280776816 809198933 /nfs/dbraw/zinc/19/89/33/809198933.db2.gz LZKVLQTZFCLENP-IAGOWNOFSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C)C2CC2)CC1 ZINC001280776835 809199059 /nfs/dbraw/zinc/19/90/59/809199059.db2.gz MCGXWUMUOSIILJ-DOMZBBRYSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)CCCN(C)C(=O)/C(C)=C/C ZINC001280803045 809200748 /nfs/dbraw/zinc/20/07/48/809200748.db2.gz QOGOCBBSOPRZIJ-UJMHRVFCSA-N 1 1 266.429 3.088 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@@H](C)C1CCCC1 ZINC001280872571 809203224 /nfs/dbraw/zinc/20/32/24/809203224.db2.gz GVCGHKYGCNKSEZ-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC)C2 ZINC001281069328 809206656 /nfs/dbraw/zinc/20/66/56/809206656.db2.gz AABVGHLUADETOV-RDJZCZTQSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)CC(C)(C)C)C[C@@H]1C ZINC001281650738 809216910 /nfs/dbraw/zinc/21/69/10/809216910.db2.gz FXHQDPSYZNIUAL-GJZGRUSLSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CC)CC1CCN(C(=O)CC)CC1 ZINC001281824627 809221125 /nfs/dbraw/zinc/22/11/25/809221125.db2.gz HQMPMMQENRBHIS-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CCCC)CC2)C1 ZINC001281979674 809227253 /nfs/dbraw/zinc/22/72/53/809227253.db2.gz CAEHWJPFCHJROX-KRWDZBQOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCCC1(C)C ZINC001282496053 809251870 /nfs/dbraw/zinc/25/18/70/809251870.db2.gz HWHXGVMVLXEXMU-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)C1CC1 ZINC001282660699 809257716 /nfs/dbraw/zinc/25/77/16/809257716.db2.gz CHNIZXROSNJKMT-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C1(F)CCCC1 ZINC001282666897 809258464 /nfs/dbraw/zinc/25/84/64/809258464.db2.gz UHTJSGXMRHVBJR-OAHLLOKOSA-N 1 1 296.430 3.206 20 30 CGEDMO C=CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](F)C(C)C ZINC001282677221 809259207 /nfs/dbraw/zinc/25/92/07/809259207.db2.gz YYIKWIZQFMFNTA-CVEARBPZSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CCC(CC=C)C(=O)NC[C@H]1CCCCC[N@H+]1CC=C ZINC001282668457 809259633 /nfs/dbraw/zinc/25/96/33/809259633.db2.gz YSWWOZIPTQPFNQ-QGZVFWFLSA-N 1 1 290.451 3.302 20 30 CGEDMO C=C(C)CC[N@H+](C)C1CCN(C(=O)/C=C(\C)CC)CC1 ZINC001283307671 809275327 /nfs/dbraw/zinc/27/53/27/809275327.db2.gz QXTWJZCWNDRDMC-FYWRMAATSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)[C@H](C)C2CCCC2)CC1 ZINC001283334463 809276834 /nfs/dbraw/zinc/27/68/34/809276834.db2.gz JTANIOVLDFWVOW-OAHLLOKOSA-N 1 1 292.467 3.312 20 30 CGEDMO CC(C)C#CC(=O)N[C@H]1CCC[N@H+](CCCC(C)C)[C@H]1C ZINC001284121681 809296105 /nfs/dbraw/zinc/29/61/05/809296105.db2.gz LAOHDLYYDHSKRP-IRXDYDNUSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CCCC(=O)N[C@H]1CCC[N@H+](CC(CC)CC)[C@H]1C ZINC001284117619 809296695 /nfs/dbraw/zinc/29/66/95/809296695.db2.gz GSIDDXMNXXMUNY-HOCLYGCPSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC1(C(=O)NCC[N@@H+]2CCC(C)(C)C2)CCCCC1 ZINC001289679541 809391127 /nfs/dbraw/zinc/39/11/27/809391127.db2.gz RYIZJOCNXBXXQQ-UHFFFAOYSA-N 1 1 292.467 3.361 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)CC1CC(C)(C)C1 ZINC001175530384 809446261 /nfs/dbraw/zinc/44/62/61/809446261.db2.gz DBOGZPRUEFDGRZ-UHFFFAOYSA-N 1 1 256.393 3.469 20 30 CGEDMO C#CCC[N@@H+]1CCc2cc(C)c(Br)cc2C1 ZINC001176441599 809699381 /nfs/dbraw/zinc/69/93/81/809699381.db2.gz LDCDYEQJYWEDKW-UHFFFAOYSA-N 1 1 278.193 3.139 20 30 CGEDMO C#CCC[N@H+]1CCc2cc(C)c(Br)cc2C1 ZINC001176441599 809699383 /nfs/dbraw/zinc/69/93/83/809699383.db2.gz LDCDYEQJYWEDKW-UHFFFAOYSA-N 1 1 278.193 3.139 20 30 CGEDMO C#Cc1cccc(C[NH2+]Cc2snc(OC)c2Cl)c1 ZINC001178951052 809896357 /nfs/dbraw/zinc/89/63/57/809896357.db2.gz ZETJPHHRAJPLOG-UHFFFAOYSA-N 1 1 292.791 3.076 20 30 CGEDMO C#CC1([NH2+]Cc2cccc(O)c2Br)CCCC1 ZINC001179438705 809922295 /nfs/dbraw/zinc/92/22/95/809922295.db2.gz ZLEPDKDBHQOWKX-UHFFFAOYSA-N 1 1 294.192 3.190 20 30 CGEDMO CN(C)c1ccc(C#N)cc1C[N@@H+](C)C(C1CC1)C1CC1 ZINC001180006854 809967775 /nfs/dbraw/zinc/96/77/75/809967775.db2.gz LOHNGGQTPACGFP-UHFFFAOYSA-N 1 1 283.419 3.245 20 30 CGEDMO COc1cc(C)c(C[N@@H+](C)Cc2cccc(C#N)c2)c(O)c1 ZINC001180393257 809997628 /nfs/dbraw/zinc/99/76/28/809997628.db2.gz MVMHRPIHANPCIB-UHFFFAOYSA-N 1 1 296.370 3.213 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)CC1CCSCC1 ZINC001181637675 810061952 /nfs/dbraw/zinc/06/19/52/810061952.db2.gz LHLVYMGXFHCPAY-UHFFFAOYSA-N 1 1 259.418 3.265 20 30 CGEDMO C=CCC[C@@H]([NH2+][C@H]1C[C@@H]2CCCC[C@@H]21)C(=O)OCC ZINC001181826986 810075259 /nfs/dbraw/zinc/07/52/59/810075259.db2.gz IRLOWJMFOKIDJE-XQLPTFJDSA-N 1 1 265.397 3.053 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cc(C(=O)OCC)c(C)[nH]2)C1 ZINC001182796622 810125200 /nfs/dbraw/zinc/12/52/00/810125200.db2.gz XDEIRENHJFBLTJ-AWEZNQCLSA-N 1 1 290.407 3.288 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cn(CCC)nc2C)C1 ZINC001182805893 810125331 /nfs/dbraw/zinc/12/53/31/810125331.db2.gz MLEVTTIFEWZNCL-HNNXBMFYSA-N 1 1 261.413 3.390 20 30 CGEDMO C#CC[N@@H+](Cc1nc2ccc(OC)cc2s1)C(C)C ZINC001184115383 810177636 /nfs/dbraw/zinc/17/76/36/810177636.db2.gz FPIGNYMVJZLRHF-UHFFFAOYSA-N 1 1 274.389 3.149 20 30 CGEDMO C#CC[N@H+](Cc1nc2ccc(OC)cc2s1)C(C)C ZINC001184115383 810177640 /nfs/dbraw/zinc/17/76/40/810177640.db2.gz FPIGNYMVJZLRHF-UHFFFAOYSA-N 1 1 274.389 3.149 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)CCC)[C@@H]2C1 ZINC001187262427 810391823 /nfs/dbraw/zinc/39/18/23/810391823.db2.gz NSCRKINEZSWXJO-YESZJQIVSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CC3(C)CC3)[C@@H]2C1 ZINC001188596351 810491570 /nfs/dbraw/zinc/49/15/70/810491570.db2.gz ZGYGCPWYYRMVPT-OWCLPIDISA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)CCC)C1 ZINC001188632933 810496927 /nfs/dbraw/zinc/49/69/27/810496927.db2.gz APPUTWGWZTUJHJ-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)CC2CCCC2)C1 ZINC001188703057 810504689 /nfs/dbraw/zinc/50/46/89/810504689.db2.gz UXLJYVJAVFNOGU-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)SC)C1 ZINC001189005586 810532311 /nfs/dbraw/zinc/53/23/11/810532311.db2.gz WBLXKBMPSHHMLS-GJZGRUSLSA-N 1 1 298.496 3.017 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)SC)C1 ZINC001189005588 810532748 /nfs/dbraw/zinc/53/27/48/810532748.db2.gz WBLXKBMPSHHMLS-LSDHHAIUSA-N 1 1 298.496 3.017 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]([N@H+](C)CC2CCC(C)CC2)C1 ZINC001189311706 810557123 /nfs/dbraw/zinc/55/71/23/810557123.db2.gz VRUXSOVIXRWKJS-JCYILVPMSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]([N@H+](C)CCCCCC)C1 ZINC001189317679 810557339 /nfs/dbraw/zinc/55/73/39/810557339.db2.gz AWARNCVGCDSWIS-HNNXBMFYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)CCCCC)[C@@H]2C1 ZINC001189343036 810561201 /nfs/dbraw/zinc/56/12/01/810561201.db2.gz YMSSOWQYLOWBNR-YESZJQIVSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)CC(CC)CC)[C@@H]2C1 ZINC001189583865 810579865 /nfs/dbraw/zinc/57/98/65/810579865.db2.gz LOQNRSKSQXQIQP-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)C(C)(C)C)[C@@H]2C1 ZINC001189952734 810597891 /nfs/dbraw/zinc/59/78/91/810597891.db2.gz GPYIMGKDIBNLQA-HRCADAONSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)/C=C(\C)CC)C1 ZINC001190035145 810604032 /nfs/dbraw/zinc/60/40/32/810604032.db2.gz BNNUOTUFNZGMHR-OPYKRYAKSA-N 1 1 278.440 3.230 20 30 CGEDMO C=C(C)Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[N@@H+](C2)[C@H]3C)cc1 ZINC001190232748 810613156 /nfs/dbraw/zinc/61/31/56/810613156.db2.gz HEFFLRHMLMTYOL-BMGDILEWSA-N 1 1 298.430 3.018 20 30 CGEDMO C=C(C)Cc1ccc(C(=O)NCC[C@@H]2CCC[N@@H+]2C)cc1 ZINC001190232997 810613841 /nfs/dbraw/zinc/61/38/41/810613841.db2.gz LTWCYDYZPUJYHZ-KRWDZBQOSA-N 1 1 286.419 3.019 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@H]([N@@H+](C)CCC(=C)C)C1 ZINC001190396154 810625975 /nfs/dbraw/zinc/62/59/75/810625975.db2.gz CMKZVOGJUJSJOS-HNNXBMFYSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC1(S(=O)(=O)Nc2cc[nH+]c(C3CCC3)c2)CC1 ZINC001190776314 810647629 /nfs/dbraw/zinc/64/76/29/810647629.db2.gz BHNSYUXYSSMEHO-UHFFFAOYSA-N 1 1 292.404 3.200 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)C(CC)CC)C1 ZINC001191050629 810666888 /nfs/dbraw/zinc/66/68/88/810666888.db2.gz JTRSFSPUCVNKMU-GDBMZVCRSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CC2(C)CC2)C1 ZINC001191414958 810711278 /nfs/dbraw/zinc/71/12/78/810711278.db2.gz QAXJQYVSZYHXHX-HUUCEWRRSA-N 1 1 278.440 3.064 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001191590893 810726831 /nfs/dbraw/zinc/72/68/31/810726831.db2.gz HXYJXGWGUOXQNX-KKUMJFAQSA-N 1 1 294.439 3.023 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]([N@H+](C)CC/C=C\CCC)C1 ZINC001191719125 810732709 /nfs/dbraw/zinc/73/27/09/810732709.db2.gz IGMMSGSLHILXDB-YDZSZYSISA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CC=CCC2)C1 ZINC001191728457 810733021 /nfs/dbraw/zinc/73/30/21/810733021.db2.gz ZDGREMPFEQGAAZ-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C[C@H]2CC=CCC2)C1 ZINC001191727443 810733154 /nfs/dbraw/zinc/73/31/54/810733154.db2.gz LZOWLBLFIGGZGG-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](F)CC)C1 ZINC001191763904 810738252 /nfs/dbraw/zinc/73/82/52/810738252.db2.gz QBJKUYYGEDVEJC-CABCVRRESA-N 1 1 286.435 3.238 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC[C@H]([N@@H+](C)CCCCCF)C1 ZINC001191889040 810754427 /nfs/dbraw/zinc/75/44/27/810754427.db2.gz ADVUNQMQWADACK-HOTGVXAUSA-N 1 1 298.446 3.261 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]([N@H+](C)CCC(C)C)C1 ZINC001191910976 810756131 /nfs/dbraw/zinc/75/61/31/810756131.db2.gz BMCZLNBORMXSPC-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)CC)C1 ZINC001192048275 810766455 /nfs/dbraw/zinc/76/64/55/810766455.db2.gz YDRKBVUHYTWSCI-HUUCEWRRSA-N 1 1 280.456 3.310 20 30 CGEDMO C=CCCC1(C(=O)N2CC[C@H]([N@H+](C)CC(=C)Cl)C2)CC1 ZINC001192180124 810772421 /nfs/dbraw/zinc/77/24/21/810772421.db2.gz FOAPJNVTCZASBB-AWEZNQCLSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CCCC1(C(=O)N2CC[C@H]([N@@H+](C)CC(=C)Cl)C2)CC1 ZINC001192180124 810772425 /nfs/dbraw/zinc/77/24/25/810772425.db2.gz FOAPJNVTCZASBB-AWEZNQCLSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CCCC1(C(=O)N2CC[C@H]([N@H+](C)CC[C@@H](C)F)C2)CC1 ZINC001192205029 810775911 /nfs/dbraw/zinc/77/59/11/810775911.db2.gz BQTLJUWIWCKLAT-CABCVRRESA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001192237362 810780277 /nfs/dbraw/zinc/78/02/77/810780277.db2.gz GSRZQXWWWLXVHW-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)CCCCCC)C1 ZINC001192977091 810837101 /nfs/dbraw/zinc/83/71/01/810837101.db2.gz HNYJYAXCLHLCSN-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](CC)CCC)C1 ZINC001193121949 810859939 /nfs/dbraw/zinc/85/99/39/810859939.db2.gz IBYFYRHBNRWAAJ-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](CC)CC(C)C)C1 ZINC001193350582 810875816 /nfs/dbraw/zinc/87/58/16/810875816.db2.gz RPSXMFNCTDXTGY-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1ccc2oc(C(=O)OC)cc2c1 ZINC001193363616 810878739 /nfs/dbraw/zinc/87/87/39/810878739.db2.gz HYGOZBJDIJLMHB-UHFFFAOYSA-N 1 1 285.343 3.063 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001193580577 810912949 /nfs/dbraw/zinc/91/29/49/810912949.db2.gz VTCGYHTVUQGVCF-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO CCCCCCCC[N@H+]1CCN(CC)C(=O)[C@@H]1CC ZINC001193626887 810921874 /nfs/dbraw/zinc/92/18/74/810921874.db2.gz REHZZMGQDHGLHE-HNNXBMFYSA-N 1 1 268.445 3.290 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)CCCCCCCC)C1 ZINC001193630412 810922448 /nfs/dbraw/zinc/92/24/48/810922448.db2.gz JFWMTKCDUHXLOC-MRXNPFEDSA-N 1 1 280.456 3.456 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC001193713405 810940209 /nfs/dbraw/zinc/94/02/09/810940209.db2.gz GIRIUFIJCCNNQG-ACJLOTCBSA-N 1 1 286.419 3.158 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(C)cc2C)C1 ZINC001193804827 810959333 /nfs/dbraw/zinc/95/93/33/810959333.db2.gz DFEPNDGRPQPVTR-MRXNPFEDSA-N 1 1 286.419 3.026 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)C[C@H]1CCCC[C@H]1C ZINC001193913502 810978958 /nfs/dbraw/zinc/97/89/58/810978958.db2.gz KBDWVJVBJRNQET-HZPDHXFCSA-N 1 1 252.446 3.252 20 30 CGEDMO C=CC[C@H]1[N@@H+](CCCCC(=O)OC)CCCC1(C)C ZINC001193919522 810979902 /nfs/dbraw/zinc/97/99/02/810979902.db2.gz ALRUKBIJDYTUJC-CQSZACIVSA-N 1 1 267.413 3.396 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)[C@@H](C)c1ccncc1 ZINC001194165822 811025344 /nfs/dbraw/zinc/02/53/44/811025344.db2.gz VZTGVOFTSYVILN-HNNXBMFYSA-N 1 1 250.345 3.278 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)[C@@H](C)c1ccncc1 ZINC001194165822 811025352 /nfs/dbraw/zinc/02/53/52/811025352.db2.gz VZTGVOFTSYVILN-HNNXBMFYSA-N 1 1 250.345 3.278 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@H]([N@H+](C)CCF)C2)CCCCC1 ZINC001194190165 811032597 /nfs/dbraw/zinc/03/25/97/811032597.db2.gz AMPXOHNRZRIZSM-HNNXBMFYSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@H]([N@@H+](C)CCF)C2)CCCCC1 ZINC001194190165 811032601 /nfs/dbraw/zinc/03/26/01/811032601.db2.gz AMPXOHNRZRIZSM-HNNXBMFYSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001194344543 811056107 /nfs/dbraw/zinc/05/61/07/811056107.db2.gz CJIRCUZIQONNGU-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+](C)[C@@H](CO)CC(C)(C)C ZINC001194385868 811065063 /nfs/dbraw/zinc/06/50/63/811065063.db2.gz UOBMLUIUVQGMKW-MRXNPFEDSA-N 1 1 288.435 3.404 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@@H]([N@@H+](C)CC3CC3)C2)CCCC1 ZINC001194555077 811090271 /nfs/dbraw/zinc/09/02/71/811090271.db2.gz IFRPYCUHGLHESB-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)c2occc2C)CC1 ZINC001194830102 811149221 /nfs/dbraw/zinc/14/92/21/811149221.db2.gz HNDRPFRCJTTYBS-HNNXBMFYSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CCCC[N@H+]1CCCN(C(=O)C=C2CCCCC2)CC1 ZINC001195053376 811191782 /nfs/dbraw/zinc/19/17/82/811191782.db2.gz HWTXQIOGQNTVFF-UHFFFAOYSA-N 1 1 290.451 3.377 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC001195083902 811198444 /nfs/dbraw/zinc/19/84/44/811198444.db2.gz JVEAOGPWECEQDJ-QGZVFWFLSA-N 1 1 285.435 3.090 20 30 CGEDMO C=CCCC(=O)N1CCC[N@H+](CC/C=C/CCC)CC1 ZINC001195192644 811224756 /nfs/dbraw/zinc/22/47/56/811224756.db2.gz ZWIMVRIFNMLPFV-BQYQJAHWSA-N 1 1 278.440 3.233 20 30 CGEDMO C=CCCC(=O)N1CCC[N@H+](Cc2csc(C)c2)CC1 ZINC001195226038 811229426 /nfs/dbraw/zinc/22/94/26/811229426.db2.gz MGLRQXKKSVHVJW-UHFFFAOYSA-N 1 1 292.448 3.057 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)C[C@@H](C)C(C)C)CC1 ZINC001195244337 811231122 /nfs/dbraw/zinc/23/11/22/811231122.db2.gz BOHHEDBPEWUZKR-MRXNPFEDSA-N 1 1 280.456 3.169 20 30 CGEDMO C#CCCCCCC[N@H+](C)C[C@](C)(O)c1ccccc1 ZINC001195357760 811247581 /nfs/dbraw/zinc/24/75/81/811247581.db2.gz GRECGANGYXOKNS-SFHVURJKSA-N 1 1 273.420 3.410 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](CCO[C@@H]2CCCC[C@@H]2C)C1 ZINC001195463879 811257779 /nfs/dbraw/zinc/25/77/79/811257779.db2.gz OUISYHGRMOWDGC-GVDBMIGSSA-N 1 1 263.425 3.317 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC001195568974 811266677 /nfs/dbraw/zinc/26/66/77/811266677.db2.gz UEKAABZKHIVARK-LLVKDONJSA-N 1 1 251.732 3.324 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC001195568974 811266681 /nfs/dbraw/zinc/26/66/81/811266681.db2.gz UEKAABZKHIVARK-LLVKDONJSA-N 1 1 251.732 3.324 20 30 CGEDMO CC(C)C#CC(=O)N1CCC[N@@H+](CCCC(C)(C)C)CC1 ZINC001195775164 811291838 /nfs/dbraw/zinc/29/18/38/811291838.db2.gz OWCXQBSLYCORKV-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO CCCCCCC[N@H+]1CCCN(C(=O)C2(C)CC2)CC1 ZINC001195915193 811301738 /nfs/dbraw/zinc/30/17/38/811301738.db2.gz MTUGFGGXRWLWAP-UHFFFAOYSA-N 1 1 280.456 3.291 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2cccc3c2OCCO3)C1 ZINC001195947341 811303198 /nfs/dbraw/zinc/30/31/98/811303198.db2.gz SNFSSFANDSZLRP-CQSZACIVSA-N 1 1 273.376 3.246 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)C(C)(C)C(=C)Cl)CC1 ZINC001195958446 811304972 /nfs/dbraw/zinc/30/49/72/811304972.db2.gz VEPYFDKCHDTUQV-UHFFFAOYSA-N 1 1 298.858 3.266 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)CC(C)(C)CC)CC1 ZINC001195974881 811308522 /nfs/dbraw/zinc/30/85/22/811308522.db2.gz SHTBWJOINWIKPB-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C#CCC[N@@H+]1CCCN(C(=O)CCC[C@H](C)CCC)CC1 ZINC001195989880 811308588 /nfs/dbraw/zinc/30/85/88/811308588.db2.gz GOUCLFUQAIFNHM-QGZVFWFLSA-N 1 1 292.467 3.151 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[N@@H+](Cc2ccsc2)CC1 ZINC001196018383 811311466 /nfs/dbraw/zinc/31/14/66/811311466.db2.gz RBAHFXFWMWGWNT-UHFFFAOYSA-N 1 1 292.448 3.139 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C2(C3CC3)CC2)CC1 ZINC001196231813 811327184 /nfs/dbraw/zinc/32/71/84/811327184.db2.gz MJMPIEDPOSIZED-OAHLLOKOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCN(c2ccc(C)cc2)C1=O ZINC001196323031 811334870 /nfs/dbraw/zinc/33/48/70/811334870.db2.gz RNYWKGXLKMCVIB-FGTMMUONSA-N 1 1 296.414 3.283 20 30 CGEDMO C#CCOCC[N@@H+]1CC[C@@H](c2cccc(F)c2)C1(C)C ZINC001196798236 811369023 /nfs/dbraw/zinc/36/90/23/811369023.db2.gz IQPGGKLSYKTUEF-INIZCTEOSA-N 1 1 275.367 3.043 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)C2(CCC)CCC2)CC1 ZINC001196838274 811372627 /nfs/dbraw/zinc/37/26/27/811372627.db2.gz DYEGUQVKFWYIHY-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@H+](CCCCC)CC1 ZINC001196829001 811374191 /nfs/dbraw/zinc/37/41/91/811374191.db2.gz BPMVWMVIUBQCPV-JKSUJKDBSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC[N@H+]1CCCN(C(=O)CCCC2CC2)CC1 ZINC001196854328 811375695 /nfs/dbraw/zinc/37/56/95/811375695.db2.gz QDQRARGJEFYGBU-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCCC1(C(=O)N2CCC[N@H+](C[C@@H](C)CC)CC2)CC1 ZINC001197062122 811394599 /nfs/dbraw/zinc/39/45/99/811394599.db2.gz JCLRJQOJJNDBTG-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC1(C(=O)N2CCC[N@H+](CC[C@H](C)F)CC2)CC1 ZINC001197062583 811395252 /nfs/dbraw/zinc/39/52/52/811395252.db2.gz UASCVJDNPBCGMG-HNNXBMFYSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCCC[N@H+]1CCCN(C(=O)[C@@]23C[C@@H]2CCCC3)CC1 ZINC001197092242 811398794 /nfs/dbraw/zinc/39/87/94/811398794.db2.gz KLRARDVJAGUNQA-WMZOPIPTSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)[C@@H](CC)CC(C)C)CC1 ZINC001197747255 811449874 /nfs/dbraw/zinc/44/98/74/811449874.db2.gz NHEDUJPVSQCFSK-INIZCTEOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC001197758351 811451589 /nfs/dbraw/zinc/45/15/89/811451589.db2.gz HKRHWCSNCLWOEL-HUUCEWRRSA-N 1 1 296.455 3.435 20 30 CGEDMO C=CCCCC[N@H+]1CCS[C@H](C(F)(F)F)C1 ZINC001197826743 811456101 /nfs/dbraw/zinc/45/61/01/811456101.db2.gz RLAWMYZDQMNXAF-JTQLQIEISA-N 1 1 253.333 3.322 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]2CC[C@@]21CNC(=O)OC(C)(C)C ZINC001198188357 811483203 /nfs/dbraw/zinc/48/32/03/811483203.db2.gz YYZCIZQUNVWNNQ-RHSMWYFYSA-N 1 1 294.439 3.332 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)[C@H](CCCC)C(C)C)CC1 ZINC001198282457 811490325 /nfs/dbraw/zinc/49/03/25/811490325.db2.gz ALOWCBGQSPBVIQ-MRXNPFEDSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[C@@H]1CCC[N@H+]1Cc1ccc2c[nH]nc2c1 ZINC001198414461 811499276 /nfs/dbraw/zinc/49/92/76/811499276.db2.gz SAJCMDLXFXRPBT-OAHLLOKOSA-N 1 1 255.365 3.494 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1C[C@H]1CCCC[C@H]1C(=O)OC ZINC001198414130 811499448 /nfs/dbraw/zinc/49/94/48/811499448.db2.gz CILFREBTMOCSNH-BZUAXINKSA-N 1 1 279.424 3.396 20 30 CGEDMO C#C[C@@H]1CCCC[N@H+]1C[C@H]1CC[C@H](c2ccccc2)O1 ZINC001198523983 811511169 /nfs/dbraw/zinc/51/11/69/811511169.db2.gz BHYFPHKDUWMVGO-KZNAEPCWSA-N 1 1 269.388 3.394 20 30 CGEDMO COc1ccc(Nc2cc[nH+]cc2C(F)(F)F)cc1C#N ZINC001214991815 815473042 /nfs/dbraw/zinc/47/30/42/815473042.db2.gz YOZAPCWSVKRYAP-UHFFFAOYSA-N 1 1 293.248 3.146 20 30 CGEDMO CCCCCCCC[N@@H+](C)C1CCN(C(C)=O)CC1 ZINC001201825923 811968204 /nfs/dbraw/zinc/96/82/04/811968204.db2.gz IPCGYYBVMKVGDU-UHFFFAOYSA-N 1 1 268.445 3.290 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@@H]2[C@H](CCC(=O)N2C)C1 ZINC001201839391 811969337 /nfs/dbraw/zinc/96/93/37/811969337.db2.gz BCZFACJSCSGTCT-HZPDHXFCSA-N 1 1 280.456 3.290 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@](O)(CF)[C@@H](F)C1 ZINC001201838887 811969552 /nfs/dbraw/zinc/96/95/52/811969552.db2.gz GIRPSNJAQRYQGN-GJZGRUSLSA-N 1 1 277.399 3.481 20 30 CGEDMO CCCCCCCCCC[N@@H+](C)C[C@@H]1CCC(=O)N1 ZINC001202904551 812197672 /nfs/dbraw/zinc/19/76/72/812197672.db2.gz WMGXXWPBYXQCSC-HNNXBMFYSA-N 1 1 268.445 3.338 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccccc1)CC2 ZINC001203308711 812306601 /nfs/dbraw/zinc/30/66/01/812306601.db2.gz IWLBINUSGVYQMG-IBGZPJMESA-N 1 1 298.430 3.220 20 30 CGEDMO C=CC[NH+]1CCN(Cc2c(Cl)cccc2Cl)CC1 ZINC001203418633 812350929 /nfs/dbraw/zinc/35/09/29/812350929.db2.gz JBJQRJXMOCMOGE-UHFFFAOYSA-N 1 1 285.218 3.297 20 30 CGEDMO COc1ccc(CNc2[nH]c3ccc(C)cc3[nH+]2)cc1C#N ZINC001203479695 812371484 /nfs/dbraw/zinc/37/14/84/812371484.db2.gz WNKUFQCZJKXBTL-UHFFFAOYSA-N 1 1 292.342 3.364 20 30 CGEDMO COc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](C#N)C1 ZINC001203989593 812510999 /nfs/dbraw/zinc/51/09/99/812510999.db2.gz DZGJKZKWIGHKLC-ZDUSSCGKSA-N 1 1 266.344 3.194 20 30 CGEDMO COc1ccc2ccccc2c1C[N@H+]1CC[C@@H](C#N)C1 ZINC001203989593 812511004 /nfs/dbraw/zinc/51/10/04/812511004.db2.gz DZGJKZKWIGHKLC-ZDUSSCGKSA-N 1 1 266.344 3.194 20 30 CGEDMO N#CC1(c2ccccc2F)CC[NH+](Cc2cccnc2)CC1 ZINC001204077316 812541941 /nfs/dbraw/zinc/54/19/41/812541941.db2.gz OJACBOFHYCIIAU-UHFFFAOYSA-N 1 1 295.361 3.278 20 30 CGEDMO CCOc1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)ccc1O ZINC001204132767 812552494 /nfs/dbraw/zinc/55/24/94/812552494.db2.gz CXENWAMTPOPHFF-QKDCVEJESA-N 1 1 286.375 3.057 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC001204284767 812596396 /nfs/dbraw/zinc/59/63/96/812596396.db2.gz SVCOWTBZLTWIAN-LLVKDONJSA-N 1 1 251.732 3.324 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC001204284767 812596399 /nfs/dbraw/zinc/59/63/99/812596399.db2.gz SVCOWTBZLTWIAN-LLVKDONJSA-N 1 1 251.732 3.324 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCCC(=O)[C@H](C)C2)cc1 ZINC001204298221 812604303 /nfs/dbraw/zinc/60/43/03/812604303.db2.gz XGUGMVFYQNNIDZ-CQSZACIVSA-N 1 1 273.376 3.052 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCCC(=O)[C@H](C)C2)cc1 ZINC001204298221 812604308 /nfs/dbraw/zinc/60/43/08/812604308.db2.gz XGUGMVFYQNNIDZ-CQSZACIVSA-N 1 1 273.376 3.052 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](C(C)=O)C2)cc1 ZINC001204303204 812604734 /nfs/dbraw/zinc/60/47/34/812604734.db2.gz BWUBTHCZJOQSKT-MRXNPFEDSA-N 1 1 273.376 3.052 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)cc1 ZINC001204300319 812605337 /nfs/dbraw/zinc/60/53/37/812605337.db2.gz PBHHPBXVMDEYQU-OFQRWUPVSA-N 1 1 261.340 3.184 20 30 CGEDMO C=CCOc1ccc(C[N@H+](CCC)CCCN(C)C)cc1 ZINC001204302897 812605377 /nfs/dbraw/zinc/60/53/77/812605377.db2.gz WPMLTUIQBWBRBI-UHFFFAOYSA-N 1 1 290.451 3.415 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](CCC)CCCN(C)C)cc1 ZINC001204302897 812605383 /nfs/dbraw/zinc/60/53/83/812605383.db2.gz WPMLTUIQBWBRBI-UHFFFAOYSA-N 1 1 290.451 3.415 20 30 CGEDMO C=CCOc1ccc(CN(CCC)CCC[NH+](C)C)cc1 ZINC001204302897 812605388 /nfs/dbraw/zinc/60/53/88/812605388.db2.gz WPMLTUIQBWBRBI-UHFFFAOYSA-N 1 1 290.451 3.415 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204320894 812611205 /nfs/dbraw/zinc/61/12/05/812611205.db2.gz CSGGPFGFVQIKSB-INIZCTEOSA-N 1 1 269.392 3.022 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204320894 812611209 /nfs/dbraw/zinc/61/12/09/812611209.db2.gz CSGGPFGFVQIKSB-INIZCTEOSA-N 1 1 269.392 3.022 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCC[C@H](C(F)F)C1 ZINC001204371187 812622507 /nfs/dbraw/zinc/62/25/07/812622507.db2.gz GBPRPQKLYRSPEM-ZDUSSCGKSA-N 1 1 250.292 3.035 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@H](C(F)F)C1 ZINC001204371187 812622510 /nfs/dbraw/zinc/62/25/10/812622510.db2.gz GBPRPQKLYRSPEM-ZDUSSCGKSA-N 1 1 250.292 3.035 20 30 CGEDMO Cc1cc(C[N@H+](C)Cc2ccc(C#N)cc2)oc1C ZINC001204531956 812669847 /nfs/dbraw/zinc/66/98/47/812669847.db2.gz CMEVNQKXFVPKNQ-UHFFFAOYSA-N 1 1 254.333 3.400 20 30 CGEDMO Cc1cc(C)cc(CC[N@@H+](C[C@H](C)C#N)C2CC2)c1 ZINC001204673739 812705741 /nfs/dbraw/zinc/70/57/41/812705741.db2.gz OWMUMYFCZNXPSU-OAHLLOKOSA-N 1 1 256.393 3.470 20 30 CGEDMO Cc1cc(C)cc(CC[N@H+](C[C@H](C)C#N)C2CC2)c1 ZINC001204673739 812705743 /nfs/dbraw/zinc/70/57/43/812705743.db2.gz OWMUMYFCZNXPSU-OAHLLOKOSA-N 1 1 256.393 3.470 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccccc2Cl)C1 ZINC001205037630 812836259 /nfs/dbraw/zinc/83/62/59/812836259.db2.gz QEBGIXNJRNLFBQ-ZDUSSCGKSA-N 1 1 251.757 3.117 20 30 CGEDMO Cc1cccc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)c1C ZINC001205066412 812845426 /nfs/dbraw/zinc/84/54/26/812845426.db2.gz BLJXBEZVZLPSCG-HNNXBMFYSA-N 1 1 273.401 3.078 20 30 CGEDMO Cc1cccc(C[N@@H+]2CCC3SC(=O)C=C3C2)c1C ZINC001205066412 812845434 /nfs/dbraw/zinc/84/54/34/812845434.db2.gz BLJXBEZVZLPSCG-HNNXBMFYSA-N 1 1 273.401 3.078 20 30 CGEDMO Cc1cccc(C[N@H+]2CCC3SC(=O)C=C3C2)c1C ZINC001205066412 812845436 /nfs/dbraw/zinc/84/54/36/812845436.db2.gz BLJXBEZVZLPSCG-HNNXBMFYSA-N 1 1 273.401 3.078 20 30 CGEDMO CC[N@@H+](Cc1cccnc1)Cc1ccc(F)c(C#N)c1 ZINC001205479111 812990071 /nfs/dbraw/zinc/99/00/71/812990071.db2.gz UKFZOUHTJUPLOE-UHFFFAOYSA-N 1 1 269.323 3.114 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2c3c(nn2C)CCC3)CCCC1(C)C ZINC001205567392 813006268 /nfs/dbraw/zinc/00/62/68/813006268.db2.gz BFYBNBAOFUGYOE-KRWDZBQOSA-N 1 1 287.451 3.476 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)CCc2cc(C)cc(C)c2)n1 ZINC001205619853 813030516 /nfs/dbraw/zinc/03/05/16/813030516.db2.gz BQHKGAVYNAYNMF-UHFFFAOYSA-N 1 1 295.430 3.198 20 30 CGEDMO C=CCC[C@H]([NH2+][C@@H]1CCCC[C@H]1C)C(=O)OCC ZINC001205848842 813106671 /nfs/dbraw/zinc/10/66/71/813106671.db2.gz HUTGPYSNSRVCID-MCIONIFRSA-N 1 1 253.386 3.053 20 30 CGEDMO C=CCC[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)C(=O)OCC ZINC001205848845 813106768 /nfs/dbraw/zinc/10/67/68/813106768.db2.gz HUTGPYSNSRVCID-MJBXVCDLSA-N 1 1 253.386 3.053 20 30 CGEDMO CC(C)CCCC[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC001206039723 813177204 /nfs/dbraw/zinc/17/72/04/813177204.db2.gz GYHNYRKZCSXANF-INIZCTEOSA-N 1 1 287.407 3.233 20 30 CGEDMO C#C[C@@H](NC1CC[NH+](CCC(C)C)CC1)C(C)(C)C ZINC001206077168 813192045 /nfs/dbraw/zinc/19/20/45/813192045.db2.gz IMDGJMKMKIUBKO-MRXNPFEDSA-N 1 1 264.457 3.134 20 30 CGEDMO CCCCCCCCCCCC[N@@H+]1CC[C@@H](O)[C@H](N)C1 ZINC001206080949 813194147 /nfs/dbraw/zinc/19/41/47/813194147.db2.gz JHISQKBWPRSILJ-IAGOWNOFSA-N 1 1 284.488 3.301 20 30 CGEDMO CCCCCCCCCCCC[N@H+]1CC[C@@H](O)[C@H](N)C1 ZINC001206080949 813194152 /nfs/dbraw/zinc/19/41/52/813194152.db2.gz JHISQKBWPRSILJ-IAGOWNOFSA-N 1 1 284.488 3.301 20 30 CGEDMO Cc1nc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)co1 ZINC001206081966 813195063 /nfs/dbraw/zinc/19/50/63/813195063.db2.gz XDLNNSUJEGDQHA-UHFFFAOYSA-N 1 1 281.359 3.234 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[N@H+](C/C=C/c2ccccc2)C[C@H]1C ZINC001206491056 813335085 /nfs/dbraw/zinc/33/50/85/813335085.db2.gz XSCAAMQUWVDXLP-VTGMHELGSA-N 1 1 298.430 3.103 20 30 CGEDMO C=C(C)CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC001206736041 813412416 /nfs/dbraw/zinc/41/24/16/813412416.db2.gz LMQJHVOSUIJKST-NVXWUHKLSA-N 1 1 259.393 3.490 20 30 CGEDMO O=C1C=C2C[N@@H+](CC3CCC(F)(F)CC3)CCC2S1 ZINC001207345063 813544406 /nfs/dbraw/zinc/54/44/06/813544406.db2.gz ABLAZVUDVZCKHJ-GFCCVEGCSA-N 1 1 287.375 3.086 20 30 CGEDMO C#CCC1([NH2+]Cc2ccc(O)c(F)c2F)CCCCC1 ZINC001207658271 813629413 /nfs/dbraw/zinc/62/94/13/813629413.db2.gz JRMJCBQRJNPIFQ-UHFFFAOYSA-N 1 1 279.330 3.486 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@H]2CC(=O)OC)CC1 ZINC001208178863 813730132 /nfs/dbraw/zinc/73/01/32/813730132.db2.gz XXYYEHNZIGFICS-CVEARBPZSA-N 1 1 277.408 3.317 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@H]2C(=O)OCC)CC1 ZINC001208178885 813730250 /nfs/dbraw/zinc/73/02/50/813730250.db2.gz YBIWQCOYHKMISM-CVEARBPZSA-N 1 1 277.408 3.317 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@H]2C(=O)OCC)CC1 ZINC001208178885 813730256 /nfs/dbraw/zinc/73/02/56/813730256.db2.gz YBIWQCOYHKMISM-CVEARBPZSA-N 1 1 277.408 3.317 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@H](Oc3ncccn3)C2)CC1 ZINC001208179176 813730785 /nfs/dbraw/zinc/73/07/85/813730785.db2.gz PYEUNHFZIILHFL-IAGOWNOFSA-N 1 1 299.418 3.232 20 30 CGEDMO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)CCCCCC)C1 ZINC001208292498 813752722 /nfs/dbraw/zinc/75/27/22/813752722.db2.gz YASKSOVJQIBCGL-IXDOHACOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC/C=C\c2ccccc2)C1 ZINC001208575677 813767537 /nfs/dbraw/zinc/76/75/37/813767537.db2.gz SUMGTVUXWVDZFZ-JAYNKOPWSA-N 1 1 298.430 3.103 20 30 CGEDMO C[N@@H+]1CC=C(Nc2sc3c(c2C#N)CCCC3)CC1 ZINC001208718065 813812497 /nfs/dbraw/zinc/81/24/97/813812497.db2.gz JJRAXIIRAFRWJA-UHFFFAOYSA-N 1 1 273.405 3.130 20 30 CGEDMO C[NH+]1CCC(=Nc2sc3c(c2C#N)CCCC3)CC1 ZINC001208718065 813812509 /nfs/dbraw/zinc/81/25/09/813812509.db2.gz JJRAXIIRAFRWJA-UHFFFAOYSA-N 1 1 273.405 3.130 20 30 CGEDMO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](CC/C=C\CC)CCO2 ZINC001208728268 813818003 /nfs/dbraw/zinc/81/80/03/813818003.db2.gz PCSBGJLWVCPMKB-OSFIAYCASA-N 1 1 293.451 3.416 20 30 CGEDMO C=CC[N@H+](C)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC001208762871 813833872 /nfs/dbraw/zinc/83/38/72/813833872.db2.gz BVIPVESSEKMRAX-OAHLLOKOSA-N 1 1 290.407 3.370 20 30 CGEDMO C[N@H+](CCC#N)CCCCCOCc1ccccc1 ZINC001208804257 813851768 /nfs/dbraw/zinc/85/17/68/813851768.db2.gz NEFKYLQWCXMBAQ-UHFFFAOYSA-N 1 1 260.381 3.219 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)CCC=C(C)C)C1 ZINC001208827173 813857585 /nfs/dbraw/zinc/85/75/85/813857585.db2.gz GUDFAGKFGPCRTC-GVDBMIGSSA-N 1 1 292.467 3.382 20 30 CGEDMO N#Cc1ccc(CCC[N@@H+]2CCCC[C@@H](F)C2)cc1 ZINC001208855697 813868259 /nfs/dbraw/zinc/86/82/59/813868259.db2.gz FOBGKQHQUQSXJC-MRXNPFEDSA-N 1 1 260.356 3.315 20 30 CGEDMO N#Cc1ccc(CCC[NH+]2CC(Oc3ccccc3)C2)cc1 ZINC001208858482 813869689 /nfs/dbraw/zinc/86/96/89/813869689.db2.gz LMTZPYHDLNETAG-UHFFFAOYSA-N 1 1 292.382 3.254 20 30 CGEDMO N#Cc1ccc(CCC[N@H+]2CCOc3ccccc3C2)cc1 ZINC001208858242 813870010 /nfs/dbraw/zinc/87/00/10/813870010.db2.gz JOCAWHNOVJGNSE-UHFFFAOYSA-N 1 1 292.382 3.385 20 30 CGEDMO N#Cc1ccc(CCC[N@@H+]2CCC[C@@H](C(F)F)C2)cc1 ZINC001208858941 813871068 /nfs/dbraw/zinc/87/10/68/813871068.db2.gz QKDWEBSLUMQKJY-OAHLLOKOSA-N 1 1 278.346 3.468 20 30 CGEDMO N#Cc1cccc(O[C@@H]2CCC[N@@H+](C[C@H]3CCC=CO3)C2)c1 ZINC001208881475 813878966 /nfs/dbraw/zinc/87/89/66/813878966.db2.gz XDSJJFWHSSPDFH-QZTJIDSGSA-N 1 1 298.386 3.094 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC/C=C/CC)C[C@H]1C ZINC001208954729 813910218 /nfs/dbraw/zinc/91/02/18/813910218.db2.gz QLIRZSYOJMDCNI-GUFYHEMZSA-N 1 1 292.467 3.382 20 30 CGEDMO COC(=O)CCCCCCCCC[N@@H+](C)CCC#N ZINC001209090405 813931208 /nfs/dbraw/zinc/93/12/08/813931208.db2.gz AXTQDSMUHIZTAT-UHFFFAOYSA-N 1 1 268.401 3.126 20 30 CGEDMO C=CC[NH+]1CCN(CCc2cccc(C(F)(F)F)c2)CC1 ZINC001209119677 813939378 /nfs/dbraw/zinc/93/93/78/813939378.db2.gz GYFGMRMZGFGTJR-UHFFFAOYSA-N 1 1 298.352 3.052 20 30 CGEDMO N#C[C@H]1CC[N@@H+](CCc2ccc(C(F)(F)F)cc2)C1 ZINC001209125923 813941222 /nfs/dbraw/zinc/94/12/22/813941222.db2.gz KONMTBXATIVHDX-GFCCVEGCSA-N 1 1 268.282 3.093 20 30 CGEDMO N#C[C@H]1CC[N@H+](CCc2ccc(C(F)(F)F)cc2)C1 ZINC001209125923 813941227 /nfs/dbraw/zinc/94/12/27/813941227.db2.gz KONMTBXATIVHDX-GFCCVEGCSA-N 1 1 268.282 3.093 20 30 CGEDMO C=CCCCC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001209200579 813964710 /nfs/dbraw/zinc/96/47/10/813964710.db2.gz LMXRSCIONBXJPT-CQSZACIVSA-N 1 1 282.428 3.284 20 30 CGEDMO C=CCCCC[N@H+]1Cc2cn(CC)nc2[C@H](COCC)C1 ZINC001209203651 813966209 /nfs/dbraw/zinc/96/62/09/813966209.db2.gz RPHRDBFAMMAQDN-INIZCTEOSA-N 1 1 291.439 3.195 20 30 CGEDMO C=CCCCC[N@H+](CCC(=O)OC)Cc1ccccc1 ZINC001209202731 813966282 /nfs/dbraw/zinc/96/62/82/813966282.db2.gz PEKZPUHWJBWWNE-UHFFFAOYSA-N 1 1 275.392 3.408 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@@]2(CCCN2C(=O)C(C)C)C1 ZINC001209203539 813966700 /nfs/dbraw/zinc/96/67/00/813966700.db2.gz YKKWZRPBZNMUJN-KRWDZBQOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCCC[N@@H+]1CCN(C(=O)c2ccccc2)C[C@H]1C ZINC001209207746 813968656 /nfs/dbraw/zinc/96/86/56/813968656.db2.gz DWGYMHLRFKTIRU-MRXNPFEDSA-N 1 1 286.419 3.189 20 30 CGEDMO N#CC1CC[NH+](CCc2ccccc2C(F)(F)F)CC1 ZINC001209279029 813991469 /nfs/dbraw/zinc/99/14/69/813991469.db2.gz BLLJVODMZSDUPT-UHFFFAOYSA-N 1 1 282.309 3.483 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@](O)(C(F)(F)F)[C@H](C)C1 ZINC001209423418 814025919 /nfs/dbraw/zinc/02/59/19/814025919.db2.gz PMJDQACRLYCAPM-CHWSQXEVSA-N 1 1 279.346 3.368 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001209423221 814026353 /nfs/dbraw/zinc/02/63/53/814026353.db2.gz PLESXPKFZUCXBL-MOPGFXCFSA-N 1 1 299.462 3.477 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001209427052 814028093 /nfs/dbraw/zinc/02/80/93/814028093.db2.gz DYMRHVDVKFUICK-ZWKOTPCHSA-N 1 1 293.451 3.393 20 30 CGEDMO C=CCCCCCC[N@H+]1Cc2ncn(C)c2[C@@H](COC)C1 ZINC001209435148 814034742 /nfs/dbraw/zinc/03/47/42/814034742.db2.gz FCMHHPOBIRLFSF-OAHLLOKOSA-N 1 1 291.439 3.102 20 30 CGEDMO C=CCCCCCC[N@@H+]1CCC[C@@H](C(=O)OCC)C1 ZINC001209435993 814036557 /nfs/dbraw/zinc/03/65/57/814036557.db2.gz LQCCRSJGNHZKPG-OAHLLOKOSA-N 1 1 267.413 3.398 20 30 CGEDMO C=CCCCCCC[N@H+]1CCC[C@H](n2cncn2)C1 ZINC001209435763 814037294 /nfs/dbraw/zinc/03/72/94/814037294.db2.gz JFIJWQWJLAOISS-HNNXBMFYSA-N 1 1 262.401 3.052 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CC[C@@H](O)[C@H](F)CC1 ZINC001209438694 814039602 /nfs/dbraw/zinc/03/96/02/814039602.db2.gz SSZIURLNDGYPSV-HUUCEWRRSA-N 1 1 257.393 3.308 20 30 CGEDMO C=CCCCCCCC[N@H+]1C[C@@H]2C[C@H](C1)C2C(=O)OC ZINC001209443024 814043563 /nfs/dbraw/zinc/04/35/63/814043563.db2.gz KKEOPELLJGCJIP-XYPWUTKMSA-N 1 1 279.424 3.254 20 30 CGEDMO C=CCCCCCCCC[N@H+]1CCC(=O)N(C)CC1 ZINC001209444357 814045771 /nfs/dbraw/zinc/04/57/71/814045771.db2.gz POFBUOSTMPXLSS-UHFFFAOYSA-N 1 1 266.429 3.067 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CCO[C@H](C(C)=O)C1 ZINC001209445089 814046056 /nfs/dbraw/zinc/04/60/56/814046056.db2.gz FGEHRDXCOMRGDF-INIZCTEOSA-N 1 1 267.413 3.193 20 30 CGEDMO C=CCCCCCCCC[N@H+]1CCO[C@H](C(C)=O)C1 ZINC001209445089 814046062 /nfs/dbraw/zinc/04/60/62/814046062.db2.gz FGEHRDXCOMRGDF-INIZCTEOSA-N 1 1 267.413 3.193 20 30 CGEDMO C=CC[N@H+](Cc1cc(F)c(O)c(OC)c1)C(C)(C)C ZINC001209529345 814075058 /nfs/dbraw/zinc/07/50/58/814075058.db2.gz XJBNCICCSGDODK-UHFFFAOYSA-N 1 1 267.344 3.326 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2c[nH]c3ncc(Cl)cc23)CC1 ZINC001209601170 814096704 /nfs/dbraw/zinc/09/67/04/814096704.db2.gz VVRFQNWOHRAXBH-LLVKDONJSA-N 1 1 288.782 3.342 20 30 CGEDMO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)CCCCCC)C1 ZINC001209657786 814107862 /nfs/dbraw/zinc/10/78/62/814107862.db2.gz VSRVAZZNLLHSGC-BRWVUGGUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC(CC)CC)C1 ZINC001209791531 814140456 /nfs/dbraw/zinc/14/04/56/814140456.db2.gz FRRLNKATAKFGBI-BXUZGUMPSA-N 1 1 286.847 3.002 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC(CC)CC)C1 ZINC001209791531 814140464 /nfs/dbraw/zinc/14/04/64/814140464.db2.gz FRRLNKATAKFGBI-BXUZGUMPSA-N 1 1 286.847 3.002 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC(CC)CC)C1 ZINC001209799956 814145948 /nfs/dbraw/zinc/14/59/48/814145948.db2.gz OXLIDHZTDJCWTP-GDBMZVCRSA-N 1 1 280.456 3.215 20 30 CGEDMO CC(=O)Nc1ccc(Nc2ccc3[nH]c[nH+]c3c2)cc1C#N ZINC001209847332 814163183 /nfs/dbraw/zinc/16/31/83/814163183.db2.gz ACDPPSRSPBKCKD-UHFFFAOYSA-N 1 1 291.314 3.137 20 30 CGEDMO Cn1c[nH+]c2cccc(NC3=CC(=O)CC(C)(C)C3)c21 ZINC001210156454 814316283 /nfs/dbraw/zinc/31/62/83/814316283.db2.gz VLIWFEPVEBAZRV-UHFFFAOYSA-N 1 1 269.348 3.258 20 30 CGEDMO Cc1[nH+]c2c(Nc3cnc(C#N)c(C)c3)cccn2c1C ZINC001210202167 814337296 /nfs/dbraw/zinc/33/72/96/814337296.db2.gz FAUKSWPFQKEMCQ-UHFFFAOYSA-N 1 1 277.331 3.270 20 30 CGEDMO C=C(C)c1ccccc1Nc1ccnc(N2CC[NH2+]CC2)c1 ZINC001210267097 814372213 /nfs/dbraw/zinc/37/22/13/814372213.db2.gz UPAQGUCLELELAP-UHFFFAOYSA-N 1 1 294.402 3.268 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](F)CCCCCC)C1 ZINC001210284889 814379959 /nfs/dbraw/zinc/37/99/59/814379959.db2.gz UQYRIGSYJKEQAJ-OWCLPIDISA-N 1 1 298.446 3.308 20 30 CGEDMO CC(=O)Nc1cc(Nc2cc(Cl)cc(C#N)c2)cc[nH+]1 ZINC001210536247 814514148 /nfs/dbraw/zinc/51/41/48/814514148.db2.gz LARRPSVLRMCJSP-UHFFFAOYSA-N 1 1 286.722 3.309 20 30 CGEDMO N#Cc1cc(F)ccc1Nc1cc[nH+]cc1C(F)(F)F ZINC001210552638 814522395 /nfs/dbraw/zinc/52/23/95/814522395.db2.gz NZPDLYNVYAMHJX-UHFFFAOYSA-N 1 1 281.212 3.277 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CCCC)C(C)C)C1 ZINC001211393052 814888478 /nfs/dbraw/zinc/88/84/78/814888478.db2.gz ABYFGVUWXBFQRL-BRWVUGGUSA-N 1 1 294.483 3.461 20 30 CGEDMO CCOc1cc(C)ccc1[NH+]=C(NO)c1ccccc1N ZINC001215876619 815620880 /nfs/dbraw/zinc/62/08/80/815620880.db2.gz UCOJQQCXUSPCBQ-UHFFFAOYSA-N 1 1 285.347 3.033 20 30 CGEDMO CC(C)c1ccc(N)c([NH+]=C(NO)c2ccccc2N)c1 ZINC001216021138 815662839 /nfs/dbraw/zinc/66/28/39/815662839.db2.gz FKRGLZPPEFOUGJ-UHFFFAOYSA-N 1 1 284.363 3.032 20 30 CGEDMO C#C[C@@H](CCCCC)OCCC[C@H]([NH3+])C(=O)OC(C)(C)C ZINC001217835761 815973702 /nfs/dbraw/zinc/97/37/02/815973702.db2.gz RDUCTYXHOOBXTD-GJZGRUSLSA-N 1 1 297.439 3.034 20 30 CGEDMO C=CCCC(=O)N1C[C@H]2CC[N@@H+](CCC3CCCC3)C[C@H]21 ZINC001221430401 816313356 /nfs/dbraw/zinc/31/33/56/816313356.db2.gz CGIUGYLFUCLRKN-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001221583549 816321016 /nfs/dbraw/zinc/32/10/16/816321016.db2.gz PDGMPUVEKSRCLI-QZTJIDSGSA-N 1 1 298.430 3.076 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C=C)[C@@H]2C1 ZINC001221731649 816323463 /nfs/dbraw/zinc/32/34/63/816323463.db2.gz MXMQZNQDSNLJDX-BZUAXINKSA-N 1 1 290.451 3.086 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[N@@H+](CCC(C)C)C[C@H]21 ZINC001221754259 816325121 /nfs/dbraw/zinc/32/51/21/816325121.db2.gz GDMOSOYWPFUGJU-GVDBMIGSSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(CCC)CC3)[C@@H]2C1 ZINC001221804302 816328779 /nfs/dbraw/zinc/32/87/79/816328779.db2.gz FJYDYGPECAJIDT-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)CC(C)C)[C@@H]2C1 ZINC001221929199 816334570 /nfs/dbraw/zinc/33/45/70/816334570.db2.gz WDJCQGDDACYNDZ-GVDBMIGSSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3)C[C@@H]21 ZINC001222195934 816373229 /nfs/dbraw/zinc/37/32/29/816373229.db2.gz XEOGSJRLAZUTJI-AEFFLSMTSA-N 1 1 298.430 3.189 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H](C)CCC)CC1 ZINC001222668796 816495509 /nfs/dbraw/zinc/49/55/09/816495509.db2.gz XUBUJDNDAASVJU-GFCCVEGCSA-N 1 1 286.847 3.003 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)C=C)C[C@@H]21 ZINC001223264405 816594217 /nfs/dbraw/zinc/59/42/17/816594217.db2.gz JLPXXGJIWVQBGF-CVEARBPZSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]2CC[N@H+](CCC(C)C)[C@H]2C1 ZINC001223406305 816623707 /nfs/dbraw/zinc/62/37/07/816623707.db2.gz VEMLJLPVKGKKJY-SJORKVTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCO[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001224511741 816818405 /nfs/dbraw/zinc/81/84/05/816818405.db2.gz QVZIJAFUKYNWRV-AEFFLSMTSA-N 1 1 289.419 3.259 20 30 CGEDMO C=CCCCO[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001224511741 816818408 /nfs/dbraw/zinc/81/84/08/816818408.db2.gz QVZIJAFUKYNWRV-AEFFLSMTSA-N 1 1 289.419 3.259 20 30 CGEDMO N#CC1(CO[C@H]2CC[N@H+](Cc3ccccc3Cl)C2)CC1 ZINC001224949115 816915585 /nfs/dbraw/zinc/91/55/85/816915585.db2.gz XWBWKPQRPUFMGB-AWEZNQCLSA-N 1 1 290.794 3.235 20 30 CGEDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ccc(C#N)cc1Cl ZINC001225729576 817159874 /nfs/dbraw/zinc/15/98/74/817159874.db2.gz PGBVSGMUBLICBF-YWVIFJGQSA-N 1 1 290.794 3.321 20 30 CGEDMO C[N@H+]1CCC[C@@H](Oc2ccc(C(F)(F)F)cc2C#N)C1 ZINC001226999387 817530428 /nfs/dbraw/zinc/53/04/28/817530428.db2.gz OBLRCFBEUPRQNG-GFCCVEGCSA-N 1 1 284.281 3.050 20 30 CGEDMO CC(=O)/C=C/c1ccc(O[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC001228495718 817922570 /nfs/dbraw/zinc/92/25/70/817922570.db2.gz FMADEYMERHNTPC-BDUNBXCCSA-N 1 1 273.376 3.150 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)CCCC(C)(C)C ZINC001231226919 818061379 /nfs/dbraw/zinc/06/13/79/818061379.db2.gz STWULOFNLAUSEB-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO CCCCCCC[N@@H+](C)CCCNC(=O)CCC ZINC001231223783 818061583 /nfs/dbraw/zinc/06/15/83/818061583.db2.gz NYLTZJFWERUHSA-UHFFFAOYSA-N 1 1 256.434 3.195 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CC[C@H](c3ccncc3)C2)c1 ZINC001231658877 818150797 /nfs/dbraw/zinc/15/07/97/818150797.db2.gz AFLXKLVCJDSHEI-SFHVURJKSA-N 1 1 262.356 3.052 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CCC[C@@H](c3ccccn3)C2)c1 ZINC001231659759 818151834 /nfs/dbraw/zinc/15/18/34/818151834.db2.gz UTVNKTWTWKHIBX-GOSISDBHSA-N 1 1 276.383 3.443 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CC[C@@H](OCc3ccccc3)C2)c1 ZINC001231659926 818151883 /nfs/dbraw/zinc/15/18/83/818151883.db2.gz XAKUFCAIUAMUAR-HXUWFJFHSA-N 1 1 291.394 3.459 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1ccc2c[nH]nc2c1 ZINC001231907200 818210495 /nfs/dbraw/zinc/21/04/95/818210495.db2.gz NHINNAHNJVFIRQ-UHFFFAOYSA-N 1 1 256.353 3.079 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1ccc2c[nH]nc2c1 ZINC001231907200 818210498 /nfs/dbraw/zinc/21/04/98/818210498.db2.gz NHINNAHNJVFIRQ-UHFFFAOYSA-N 1 1 256.353 3.079 20 30 CGEDMO N#Cc1ccccc1O[C@H]1CCC[N@H+](Cc2cnsc2)C1 ZINC001232230117 818285992 /nfs/dbraw/zinc/28/59/92/818285992.db2.gz DPDOATDRQWIIFW-HNNXBMFYSA-N 1 1 299.399 3.058 20 30 CGEDMO N#Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2cnsc2)C1 ZINC001232230117 818285998 /nfs/dbraw/zinc/28/59/98/818285998.db2.gz DPDOATDRQWIIFW-HNNXBMFYSA-N 1 1 299.399 3.058 20 30 CGEDMO Cc1ccc(OC(C)C)c(C[NH+]2CC(CC#N)C2)c1 ZINC001232394283 818336219 /nfs/dbraw/zinc/33/62/19/818336219.db2.gz MLFHZLHKQIHZMY-UHFFFAOYSA-N 1 1 258.365 3.128 20 30 CGEDMO C[N@@H+](CCCc1ccccc1)Cc1cc(C#N)ccn1 ZINC001232481107 818365423 /nfs/dbraw/zinc/36/54/23/818365423.db2.gz UWHMLSQSRMOQMI-UHFFFAOYSA-N 1 1 265.360 3.018 20 30 CGEDMO C=CCC[N@@H+](Cc1c[nH]c2nccnc12)Cc1ccccc1 ZINC001232547831 818383660 /nfs/dbraw/zinc/38/36/60/818383660.db2.gz FNGFKLKBLSXHIN-UHFFFAOYSA-N 1 1 292.386 3.488 20 30 CGEDMO COc1cccc(C)c1C[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001232619408 818402036 /nfs/dbraw/zinc/40/20/36/818402036.db2.gz ARLBLZXXORNQCY-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cccc3c2CCCC3)C1 ZINC001232638517 818408280 /nfs/dbraw/zinc/40/82/80/818408280.db2.gz KPCBTMSAEHNDCQ-OAHLLOKOSA-N 1 1 253.389 3.411 20 30 CGEDMO C[N@@H+](CCc1ccc(F)cc1)Cc1cc(C#N)ccc1[O-] ZINC001232679121 818416811 /nfs/dbraw/zinc/41/68/11/818416811.db2.gz CWOHWMOQAKRCBW-UHFFFAOYSA-N 1 1 284.334 3.077 20 30 CGEDMO N#Cc1ccc([O-])c(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC001232678909 818418197 /nfs/dbraw/zinc/41/81/97/818418197.db2.gz UPDISIUVWJNMHA-HNNXBMFYSA-N 1 1 296.345 3.392 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)s1 ZINC001232844611 818455044 /nfs/dbraw/zinc/45/50/44/818455044.db2.gz WXDNXOHCXJBMMV-SKDRFNHKSA-N 1 1 268.332 3.097 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC001232890545 818466361 /nfs/dbraw/zinc/46/63/61/818466361.db2.gz HVEHEHUHDXBAOC-HNNXBMFYSA-N 1 1 281.334 3.082 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1ccc2ncoc2c1 ZINC001232940512 818479944 /nfs/dbraw/zinc/47/99/44/818479944.db2.gz AHHBUSFLNBPGSD-UHFFFAOYSA-N 1 1 257.337 3.344 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1ccc2ncoc2c1 ZINC001232940512 818479948 /nfs/dbraw/zinc/47/99/48/818479948.db2.gz AHHBUSFLNBPGSD-UHFFFAOYSA-N 1 1 257.337 3.344 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C)cc1C#N)C1CCOCC1 ZINC001232969005 818485808 /nfs/dbraw/zinc/48/58/08/818485808.db2.gz VWQPKFJADJBSBA-UHFFFAOYSA-N 1 1 272.392 3.258 20 30 CGEDMO CC[C@@H]1c2ccccc2CC[N@H+]1Cc1[nH]ccc1C#N ZINC001233048081 818510709 /nfs/dbraw/zinc/51/07/09/818510709.db2.gz UVBJGJOMPVOWGH-QGZVFWFLSA-N 1 1 265.360 3.396 20 30 CGEDMO CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1[nH]ccc1C#N ZINC001233048081 818510716 /nfs/dbraw/zinc/51/07/16/818510716.db2.gz UVBJGJOMPVOWGH-QGZVFWFLSA-N 1 1 265.360 3.396 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCc2cccc(O)c2C1 ZINC001233082395 818518699 /nfs/dbraw/zinc/51/86/99/818518699.db2.gz LANMEYNGGLDJFQ-UHFFFAOYSA-N 1 1 278.355 3.131 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(C#N)c2F)C2(CC2)C1 ZINC001233102730 818520745 /nfs/dbraw/zinc/52/07/45/818520745.db2.gz LNCXNBNWRVWQNH-GFCCVEGCSA-N 1 1 287.382 3.138 20 30 CGEDMO CN(C)c1ccc(C[N@@H+](CC2CC2)C2CC2)c(F)c1C#N ZINC001233102859 818520837 /nfs/dbraw/zinc/52/08/37/818520837.db2.gz QEJYLPASGWZZPR-UHFFFAOYSA-N 1 1 287.382 3.138 20 30 CGEDMO C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233100915 818521720 /nfs/dbraw/zinc/52/17/20/818521720.db2.gz NTTVLFYRGUWNOH-QWHCGFSZSA-N 1 1 289.398 3.384 20 30 CGEDMO COc1cc(F)c(C[NH+]2CCC(CC#N)CC2)cc1F ZINC001233343431 818589844 /nfs/dbraw/zinc/58/98/44/818589844.db2.gz MRDWBCXAZBMETO-UHFFFAOYSA-N 1 1 280.318 3.099 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cscc1C ZINC001233511786 818631170 /nfs/dbraw/zinc/63/11/70/818631170.db2.gz ORVNYUXCACFOII-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C=C(CC)CC ZINC001233643763 818667798 /nfs/dbraw/zinc/66/77/98/818667798.db2.gz HXPYBWYXHVKLMH-MRXNPFEDSA-N 1 1 278.440 3.232 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](Oc2cc(C(F)(F)F)ccc2C#N)C1 ZINC001233732474 818693268 /nfs/dbraw/zinc/69/32/68/818693268.db2.gz OKDFRJVTUDKPSF-ZDUSSCGKSA-N 1 1 298.308 3.439 20 30 CGEDMO C#CCCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@H](C)CCC=C ZINC001233761407 818698758 /nfs/dbraw/zinc/69/87/58/818698758.db2.gz IVSCKOPLIQJAFP-SJORKVTESA-N 1 1 290.451 3.067 20 30 CGEDMO C#CCCCCC(=O)N(C)C[C@H]1CC[N@@H+]1CCCC(C)C ZINC001233762807 818700373 /nfs/dbraw/zinc/70/03/73/818700373.db2.gz WBABYOZJHIMIHD-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO CC(C)C#CC(=O)N(C)C[C@H]1CC[N@H+]1CCCC(C)(C)C ZINC001234161466 818794616 /nfs/dbraw/zinc/79/46/16/818794616.db2.gz LNYRHEALLBZRCT-MRXNPFEDSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CC(C)(C)C=C ZINC001234537808 818877267 /nfs/dbraw/zinc/87/72/67/818877267.db2.gz QZUHLIVVOPNRDB-JKSUJKDBSA-N 1 1 292.467 3.476 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC(C)(C)CC ZINC001234537071 818877554 /nfs/dbraw/zinc/87/75/54/818877554.db2.gz JYGLLLRLDSJIRZ-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)C(C)C ZINC001234563183 818882591 /nfs/dbraw/zinc/88/25/91/818882591.db2.gz OATRDINOGFELJK-HNNXBMFYSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)C(C)C ZINC001234563184 818882855 /nfs/dbraw/zinc/88/28/55/818882855.db2.gz OATRDINOGFELJK-OAHLLOKOSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CCC(=C)C ZINC001234604778 818890369 /nfs/dbraw/zinc/89/03/69/818890369.db2.gz WATDEPJHOFLYKX-CVEARBPZSA-N 1 1 278.440 3.230 20 30 CGEDMO CC(C)c1c(C#N)cccc1OC1C[NH+](C(C)C)C1 ZINC001234854883 818935668 /nfs/dbraw/zinc/93/56/68/818935668.db2.gz STPZLNDIBSHSHM-UHFFFAOYSA-N 1 1 258.365 3.153 20 30 CGEDMO CCCCCCC[N@@H+](C)CCCNC(=O)CC(F)(F)F ZINC001235067655 818994350 /nfs/dbraw/zinc/99/43/50/818994350.db2.gz BMCRMVGEJUOYOF-UHFFFAOYSA-N 1 1 296.377 3.347 20 30 CGEDMO N#CCc1ccccc1C[N@@H+]1CCCC(F)(F)CC1 ZINC001235511521 819112304 /nfs/dbraw/zinc/11/23/04/819112304.db2.gz HXWXWAOZHZLUCF-UHFFFAOYSA-N 1 1 264.319 3.374 20 30 CGEDMO N#CCc1ccccc1C[N@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001235514230 819112858 /nfs/dbraw/zinc/11/28/58/819112858.db2.gz JDTVUDKKAUNOON-DOTOQJQBSA-N 1 1 254.377 3.375 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccccc1CC#N ZINC001235526008 819114667 /nfs/dbraw/zinc/11/46/67/819114667.db2.gz UAVZEQRPFOSZGE-UHFFFAOYSA-N 1 1 275.355 3.256 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2c[nH]c3cnc(Cl)cc23)CC1 ZINC001235520579 819114767 /nfs/dbraw/zinc/11/47/67/819114767.db2.gz MLMZBYJBDVPGID-LLVKDONJSA-N 1 1 288.782 3.342 20 30 CGEDMO N#C[C@H]1CC[N@H+](Cc2ccccc2-c2ccncc2)C1 ZINC001235625912 819127786 /nfs/dbraw/zinc/12/77/86/819127786.db2.gz HOZNHAOQWVWIHF-CQSZACIVSA-N 1 1 263.344 3.094 20 30 CGEDMO N#C[C@H]1CC[N@@H+](Cc2ccccc2-c2ccncc2)C1 ZINC001235625912 819127791 /nfs/dbraw/zinc/12/77/91/819127791.db2.gz HOZNHAOQWVWIHF-CQSZACIVSA-N 1 1 263.344 3.094 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cccn2C(=O)OC(C)(C)C)C1 ZINC001235642021 819129124 /nfs/dbraw/zinc/12/91/24/819129124.db2.gz LEGXVNUNGDZHTG-CQSZACIVSA-N 1 1 288.391 3.117 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cccn2C(=O)OC(C)(C)C)C1 ZINC001235642021 819129126 /nfs/dbraw/zinc/12/91/26/819129126.db2.gz LEGXVNUNGDZHTG-CQSZACIVSA-N 1 1 288.391 3.117 20 30 CGEDMO N#Cc1cc(F)c(C[N@H+]2CCC[C@@H](F)CC2)c(F)c1 ZINC001235650204 819130856 /nfs/dbraw/zinc/13/08/56/819130856.db2.gz CRQQOOSSHLCKKP-LLVKDONJSA-N 1 1 268.282 3.160 20 30 CGEDMO N#Cc1cc(F)c(C[N@@H+]2CCC[C@@H](F)CC2)c(F)c1 ZINC001235650204 819130859 /nfs/dbraw/zinc/13/08/59/819130859.db2.gz CRQQOOSSHLCKKP-LLVKDONJSA-N 1 1 268.282 3.160 20 30 CGEDMO Cc1cc(-c2ccc(F)c(C#N)c2)cn2cc[nH+]c12 ZINC001235895557 819205788 /nfs/dbraw/zinc/20/57/88/819205788.db2.gz PBOSZCUVWUUBMH-UHFFFAOYSA-N 1 1 251.264 3.321 20 30 CGEDMO C=CCCC[N@@H+](Cc1ccccc1)[C@@H]1CCNC[C@H]1F ZINC001235935538 819232193 /nfs/dbraw/zinc/23/21/93/819232193.db2.gz FDVNTERNYFCICY-IAGOWNOFSA-N 1 1 276.399 3.155 20 30 CGEDMO C=CCCCN(Cc1ccccc1)[C@@H]1CC[NH2+]C[C@H]1F ZINC001235935538 819232200 /nfs/dbraw/zinc/23/22/00/819232200.db2.gz FDVNTERNYFCICY-IAGOWNOFSA-N 1 1 276.399 3.155 20 30 CGEDMO C=CC[N@H+](Cc1cc(F)cc(C(=O)OC)c1)C(C)(C)C ZINC001236785077 819594756 /nfs/dbraw/zinc/59/47/56/819594756.db2.gz KKFCQFIVECONPZ-UHFFFAOYSA-N 1 1 279.355 3.399 20 30 CGEDMO CC(C)c1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)c(O)c1 ZINC001237054521 819654543 /nfs/dbraw/zinc/65/45/43/819654543.db2.gz BNTNSKBLFKFKMO-INIZCTEOSA-N 1 1 258.365 3.251 20 30 CGEDMO C#CC[N@H+](C)Cc1cc(OC)ccc1-c1ccccc1 ZINC001237306440 819721054 /nfs/dbraw/zinc/72/10/54/819721054.db2.gz HCBVWCXSSGXMRN-UHFFFAOYSA-N 1 1 265.356 3.427 20 30 CGEDMO C=CCCCCCCN1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237383437 819738874 /nfs/dbraw/zinc/73/88/74/819738874.db2.gz PFRYTSGMCFLULE-CVEARBPZSA-N 1 1 250.430 3.197 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1[nH]nc2cc(OC)ccc21 ZINC001237391809 819741295 /nfs/dbraw/zinc/74/12/95/819741295.db2.gz LIPOLSKCECDCKK-UHFFFAOYSA-N 1 1 273.380 3.360 20 30 CGEDMO C=CCCCC[N@@H+](C)Cc1n[nH]c2cc(OC)ccc21 ZINC001237391809 819741297 /nfs/dbraw/zinc/74/12/97/819741297.db2.gz LIPOLSKCECDCKK-UHFFFAOYSA-N 1 1 273.380 3.360 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1n[nH]c2cc(OC)ccc21 ZINC001237391809 819741301 /nfs/dbraw/zinc/74/13/01/819741301.db2.gz LIPOLSKCECDCKK-UHFFFAOYSA-N 1 1 273.380 3.360 20 30 CGEDMO C=CC[NH+]1CCN(Cc2cccc(C(C)C)c2)CC1 ZINC001237459924 819755397 /nfs/dbraw/zinc/75/53/97/819755397.db2.gz XZCCIQANNBZNSO-UHFFFAOYSA-N 1 1 258.409 3.114 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2c(Cl)[nH]c3cnccc32)C1 ZINC001237460559 819755873 /nfs/dbraw/zinc/75/58/73/819755873.db2.gz IWDMPNQVEHZUJK-NSHDSACASA-N 1 1 273.767 3.062 20 30 CGEDMO CCC[C@H]1CCCC[N@H+]1Cc1cn2cc(C#N)ccc2n1 ZINC001237615793 819786277 /nfs/dbraw/zinc/78/62/77/819786277.db2.gz ZIBREZHXMKNFGF-INIZCTEOSA-N 1 1 282.391 3.361 20 30 CGEDMO C=CC[N@@H+](Cc1ccnc(OC(F)F)c1)C(C)(C)C ZINC001237620681 819788902 /nfs/dbraw/zinc/78/89/02/819788902.db2.gz RAOBXBFSZGGVAJ-UHFFFAOYSA-N 1 1 270.323 3.470 20 30 CGEDMO CCc1[nH]ncc1C[NH+]1CCC(C#Cc2ccccc2)CC1 ZINC001237653786 819798777 /nfs/dbraw/zinc/79/87/77/819798777.db2.gz PUVJDXOGCRKRGS-UHFFFAOYSA-N 1 1 293.414 3.236 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c1 ZINC001237746374 819832892 /nfs/dbraw/zinc/83/28/92/819832892.db2.gz LZOLLUDQMHWSFT-GOEBONIOSA-N 1 1 290.794 3.213 20 30 CGEDMO C[N@@H+](Cc1cc(Cl)cc(C#N)c1)C1CC(F)(F)C1 ZINC001237746701 819833455 /nfs/dbraw/zinc/83/34/55/819833455.db2.gz PLTFLZWQAYIIJB-UHFFFAOYSA-N 1 1 270.710 3.441 20 30 CGEDMO C[N@@H+](CCc1cccnc1)Cc1cc(Cl)cc(C#N)c1 ZINC001237752248 819836897 /nfs/dbraw/zinc/83/68/97/819836897.db2.gz UCLDQQSTUOIZNI-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2OCCC)C1 ZINC001237908409 819877839 /nfs/dbraw/zinc/87/78/39/819877839.db2.gz GZTIAAUTUDEUBP-CQSZACIVSA-N 1 1 275.367 3.460 20 30 CGEDMO CCc1cc(C[N@H+]2CCC[C@H](OC)CC2)ccc1C#N ZINC001238777752 820116941 /nfs/dbraw/zinc/11/69/41/820116941.db2.gz HLJMGLUMDQSSHQ-KRWDZBQOSA-N 1 1 272.392 3.122 20 30 CGEDMO C[N@@H+]1CC=C(c2ccc(CC#N)c(C(F)(F)F)c2)CC1 ZINC001241322730 821731636 /nfs/dbraw/zinc/73/16/36/821731636.db2.gz SABPFTSJWSLAQG-UHFFFAOYSA-N 1 1 280.293 3.490 20 30 CGEDMO N#CCc1ccc(C2=CC[N@@H+](Cc3ccccc3)CC2)cn1 ZINC001241504683 821905632 /nfs/dbraw/zinc/90/56/32/821905632.db2.gz YFWJACZOIJAYIA-UHFFFAOYSA-N 1 1 289.382 3.437 20 30 CGEDMO N#Cc1ncc(C2=CC[N@@H+](Cc3ccccc3)CC2)cc1F ZINC001241504161 821906327 /nfs/dbraw/zinc/90/63/27/821906327.db2.gz PNAWPKGGLGDILO-UHFFFAOYSA-N 1 1 293.345 3.382 20 30 CGEDMO N#Cc1cc(F)cc(-c2cc(N)c(C(F)(F)F)c[nH+]2)c1 ZINC001241656004 822033701 /nfs/dbraw/zinc/03/37/01/822033701.db2.gz QDFQSDOTZFDDOI-UHFFFAOYSA-N 1 1 281.212 3.360 20 30 CGEDMO C#Cc1cccc(-c2ccc(CN3CCC([NH3+])CC3)cc2)c1 ZINC001241920449 822219452 /nfs/dbraw/zinc/21/94/52/822219452.db2.gz ZXNRVFHHGIPRPN-UHFFFAOYSA-N 1 1 290.410 3.258 20 30 CGEDMO N#CC1(C[N@H+]2CCC[C@@H](c3c[nH]c4ncccc34)C2)CC1 ZINC001336173781 936179001 /nfs/dbraw/zinc/17/90/01/936179001.db2.gz INLGKUCDYXZQTH-CYBMUJFWSA-N 1 1 280.375 3.046 20 30 CGEDMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2cc(C#N)cc(Cl)n2)C1 ZINC001339646713 936381376 /nfs/dbraw/zinc/38/13/76/936381376.db2.gz VYHHMMNBDCTLPF-AWEZNQCLSA-N 1 1 298.777 3.205 20 30 CGEDMO C#CC[N@H+](CC#CC)C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001474369834 937855247 /nfs/dbraw/zinc/85/52/47/937855247.db2.gz PNTRWYYMFYYYAS-QZTJIDSGSA-N 1 1 251.373 3.139 20 30 CGEDMO C#CC[N@H+](C[C@H](O)Cc1ccc2ccccc2c1)CC1CC1 ZINC001344338091 936529980 /nfs/dbraw/zinc/52/99/80/936529980.db2.gz OQIVPAYGZDXUCF-HXUWFJFHSA-N 1 1 293.410 3.088 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001346822792 936862724 /nfs/dbraw/zinc/86/27/24/936862724.db2.gz JCYUPBKTYPQNNL-IRXDYDNUSA-N 1 1 292.467 3.456 20 30 CGEDMO C#Cc1ccc(C[N@H+](Cc2ccccc2)[C@H](C)CO)cc1 ZINC001347156213 936872536 /nfs/dbraw/zinc/87/25/36/936872536.db2.gz NXSBRUBCMYOELS-MRXNPFEDSA-N 1 1 279.383 3.051 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1cccc(C(=O)OC)c1)c1ccc(F)cc1 ZINC001347441072 936884303 /nfs/dbraw/zinc/88/43/03/936884303.db2.gz FSIBZDURZSFDLL-QGZVFWFLSA-N 1 1 297.329 3.076 20 30 CGEDMO COC(=O)c1cccc(C[NH2+]CC2(C#N)CCCCC2)c1 ZINC001348384353 936919195 /nfs/dbraw/zinc/91/91/95/936919195.db2.gz WFVUFPIGNFDGCF-UHFFFAOYSA-N 1 1 286.375 3.037 20 30 CGEDMO C=C(CC)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC001349002092 936941612 /nfs/dbraw/zinc/94/16/12/936941612.db2.gz BNFMJJHYMVZUAY-HIFRSBDPSA-N 1 1 292.448 3.213 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](CCCCC)C(C)C)C1 ZINC001479968063 936951642 /nfs/dbraw/zinc/95/16/42/936951642.db2.gz ZQFUFXUTESLRFG-IRXDYDNUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC001349646785 936955443 /nfs/dbraw/zinc/95/54/43/936955443.db2.gz OGNSOWQWQLAIQM-FGTMMUONSA-N 1 1 287.403 3.184 20 30 CGEDMO C#CC[N@H+](CCCC(F)(F)F)Cc1ccccc1 ZINC001352029451 937032448 /nfs/dbraw/zinc/03/24/48/937032448.db2.gz PXLJKTKJCRJMNJ-UHFFFAOYSA-N 1 1 255.283 3.464 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CC(C)=C(C)C)C1 ZINC001480381067 937048801 /nfs/dbraw/zinc/04/88/01/937048801.db2.gz AIKVCFRYTPQNNN-JKSUJKDBSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@H](C)[NH2+]C/C(Cl)=C\Cl ZINC001480516670 937068460 /nfs/dbraw/zinc/06/84/60/937068460.db2.gz WJOITRSBUTZWRT-OTXQMUPVSA-N 1 1 293.238 3.002 20 30 CGEDMO C=CCCC[N@@H+](CC)Cc1nc(CCC(C)C)no1 ZINC001473861584 937825724 /nfs/dbraw/zinc/82/57/24/937825724.db2.gz CQBOJIDKQRDRBC-UHFFFAOYSA-N 1 1 265.401 3.446 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1nc(CCC(C)C)no1 ZINC001473861584 937825726 /nfs/dbraw/zinc/82/57/26/937825726.db2.gz CQBOJIDKQRDRBC-UHFFFAOYSA-N 1 1 265.401 3.446 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC001354501475 937104061 /nfs/dbraw/zinc/10/40/61/937104061.db2.gz ZZFMMOZLTUYKGY-AWEZNQCLSA-N 1 1 285.309 3.482 20 30 CGEDMO C=C(C)C[N@H+](C)CCNC(=O)C[C@H](C)c1ccccc1C ZINC001480920155 926792905 /nfs/dbraw/zinc/79/29/05/926792905.db2.gz ICWZTTAMEYDOCZ-INIZCTEOSA-N 1 1 288.435 3.113 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)C(C)=C1CCCC1 ZINC001480968832 926849797 /nfs/dbraw/zinc/84/97/97/926849797.db2.gz BCTSBFOYHMJTQH-UHFFFAOYSA-N 1 1 278.440 3.281 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@H]1CCC[N@H+]1CC1CCCC1 ZINC001481055261 926873809 /nfs/dbraw/zinc/87/38/09/926873809.db2.gz CGIUJSSHQGKMOU-AEFFLSMTSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+](CCNC(=O)[C@@]1(C)CCC[C@H]1C)C1CC1 ZINC001481184983 926902637 /nfs/dbraw/zinc/90/26/37/926902637.db2.gz RFWAMJSHUCBNEL-QAPCUYQASA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+](CCNC(=O)[C@H]1CCC(C)(C)C1)C1CC1 ZINC001481185386 926902946 /nfs/dbraw/zinc/90/29/46/926902946.db2.gz AWDDRLIZCAUVPA-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+](CCNC(=O)c1ccc(C)cc1)C1CC1 ZINC001481196079 926905928 /nfs/dbraw/zinc/90/59/28/926905928.db2.gz QKIJKMXJUVCBKC-UHFFFAOYSA-N 1 1 286.419 3.155 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)[C@]1(C)CCC[C@@H]1C)C(C)C ZINC001481354621 926964656 /nfs/dbraw/zinc/96/46/56/926964656.db2.gz VAJXNNNJCOOVIE-DOTOQJQBSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)[C@@]1(C)CCC[C@H]1C)C(C)C ZINC001481354645 926965184 /nfs/dbraw/zinc/96/51/84/926965184.db2.gz VAJXNNNJCOOVIE-WBVHZDCISA-N 1 1 280.456 3.215 20 30 CGEDMO C#CC[N@H+](CCCNC(=O)[C@@]1(C)CCC[C@@H]1CC)C(C)C ZINC001481350997 926965842 /nfs/dbraw/zinc/96/58/42/926965842.db2.gz VYKLZQCXMRVUFH-WMZOPIPTSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(CCC)C(=O)C(C)(C)F)C1 ZINC001481387749 926972520 /nfs/dbraw/zinc/97/25/20/926972520.db2.gz CUZQQEYHQUIHTH-HUUCEWRRSA-N 1 1 298.446 3.402 20 30 CGEDMO C=CCCC(=O)N(CCC)[C@H]1CC[N@H+](CCCC)C1 ZINC001481398707 926977814 /nfs/dbraw/zinc/97/78/14/926977814.db2.gz XQOIGEXOCALLJF-HNNXBMFYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001481538961 927019375 /nfs/dbraw/zinc/01/93/75/927019375.db2.gz NASYUWQJUZHMIA-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@H](NC(=O)C2CCCC2)C1 ZINC001481697355 927057978 /nfs/dbraw/zinc/05/79/78/927057978.db2.gz HYOFQNFQZJITQN-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)c2cscc2Cl)C1 ZINC001481689882 927058498 /nfs/dbraw/zinc/05/84/98/927058498.db2.gz KLAZGHRIPYTDSL-NSHDSACASA-N 1 1 298.839 3.172 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)CC2CCCCC2)C1 ZINC001481713584 927071144 /nfs/dbraw/zinc/07/11/44/927071144.db2.gz NEBRDJWCKLAXPW-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)c2sccc2C)C1 ZINC001481711685 927072391 /nfs/dbraw/zinc/07/23/91/927072391.db2.gz NNUAGUGZAZFJCS-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)C2(CC=C)CCCCC2)C1 ZINC001481752989 927077326 /nfs/dbraw/zinc/07/73/26/927077326.db2.gz MKESIBZPKGUANH-MRXNPFEDSA-N 1 1 290.451 3.232 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001481747731 927078915 /nfs/dbraw/zinc/07/89/15/927078915.db2.gz RPKJPCWWWUUEKT-JKSUJKDBSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)CCCCC)C1 ZINC001481758372 927079705 /nfs/dbraw/zinc/07/97/05/927079705.db2.gz VHTWSLFJYRFDRR-HNNXBMFYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCCC(=O)N(CC)[C@H]1CC[N@H+](CCCCC)C1 ZINC001481762033 927083501 /nfs/dbraw/zinc/08/35/01/927083501.db2.gz QOKPZJPOMXDNLU-HNNXBMFYSA-N 1 1 266.429 3.066 20 30 CGEDMO C#CCCCCCC(=O)N(CC)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001481770057 927087080 /nfs/dbraw/zinc/08/70/80/927087080.db2.gz ABFLGBSGUJHTEK-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)C1(CCC)CC1 ZINC001505445491 927283248 /nfs/dbraw/zinc/28/32/48/927283248.db2.gz WMVBGFANVNEAQV-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)Cc1cccs1 ZINC001483305212 927476514 /nfs/dbraw/zinc/47/65/14/927476514.db2.gz CIQTWWDBWLAFEG-ZIAGYGMSSA-N 1 1 294.464 3.082 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H](C)C[N@@H+](C)CC1CCCC1 ZINC001483343264 927486486 /nfs/dbraw/zinc/48/64/86/927486486.db2.gz XGNCAOOIOOJUJX-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)C1(CC(C)C)CCC1 ZINC001483365609 927490948 /nfs/dbraw/zinc/49/09/48/927490948.db2.gz UWTZSPASZQLDSM-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)CC1(C)CCCC1 ZINC001483647245 927560638 /nfs/dbraw/zinc/56/06/38/927560638.db2.gz JRRALRKSBMEVRU-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)CC ZINC001483811495 927628278 /nfs/dbraw/zinc/62/82/78/927628278.db2.gz OVMUQGZEVURZIX-CVEARBPZSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001484018828 927662309 /nfs/dbraw/zinc/66/23/09/927662309.db2.gz GDQWROLOYOSLQP-CVEARBPZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)CCCCCC)C1 ZINC001484069051 927670919 /nfs/dbraw/zinc/67/09/19/927670919.db2.gz ZNMUNQBNZZGDLW-HNNXBMFYSA-N 1 1 286.847 3.290 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)CCCCCC)C1 ZINC001484069051 927670928 /nfs/dbraw/zinc/67/09/28/927670928.db2.gz ZNMUNQBNZZGDLW-HNNXBMFYSA-N 1 1 286.847 3.290 20 30 CGEDMO C=CCCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC ZINC001484386757 927699639 /nfs/dbraw/zinc/69/96/39/927699639.db2.gz PAADSFCTUGRKNZ-MUJYYYPQSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[C@@H](C)C1 ZINC001484753844 927750993 /nfs/dbraw/zinc/75/09/93/927750993.db2.gz AXPDICHADRZCGN-CVEARBPZSA-N 1 1 280.456 3.169 20 30 CGEDMO C[C@H]([NH2+]Cc1cncc(C#N)c1)c1nc2ccccc2s1 ZINC001473355765 937190326 /nfs/dbraw/zinc/19/03/26/937190326.db2.gz MNZMOVMJOFULIU-NSHDSACASA-N 1 1 294.383 3.414 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[C@@]2(CC[N@H+](CCC)C2)C1 ZINC001484833168 927759519 /nfs/dbraw/zinc/75/95/19/927759519.db2.gz YDCCTCQMCQYCFX-AEFFLSMTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1CC[N@H+](C(C)C)CC1(C)C ZINC001484938220 927775549 /nfs/dbraw/zinc/77/55/49/927775549.db2.gz XDMWYVOQCNWXMZ-YOEHRIQHSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCC1(C(=O)N2CCC[C@H]2C[N@H+](C)CCC)CCCC1 ZINC001485080579 927803943 /nfs/dbraw/zinc/80/39/43/927803943.db2.gz TWIUYMVKUNKWJK-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C)CCCCCC ZINC001485072818 927805364 /nfs/dbraw/zinc/80/53/64/927805364.db2.gz ISXZZVULYLSJCI-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(C)s1 ZINC001485272214 927838319 /nfs/dbraw/zinc/83/83/19/927838319.db2.gz MVODOOQVVLWRPC-STQMWFEESA-N 1 1 294.464 3.461 20 30 CGEDMO CSc1ccccc1C[N@H+](C)Cc1cc(C#N)ccn1 ZINC001473436118 937199546 /nfs/dbraw/zinc/19/95/46/937199546.db2.gz HWRNEGGFDCRGGN-UHFFFAOYSA-N 1 1 283.400 3.307 20 30 CGEDMO CSc1ccccc1C[N@@H+](C)Cc1cc(C#N)ccn1 ZINC001473436118 937199548 /nfs/dbraw/zinc/19/95/48/937199548.db2.gz HWRNEGGFDCRGGN-UHFFFAOYSA-N 1 1 283.400 3.307 20 30 CGEDMO C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)C(C)(C)C ZINC001485480758 927880298 /nfs/dbraw/zinc/88/02/98/927880298.db2.gz XQVSATYTUAWNIS-JKSUJKDBSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)C[C@@H](CC)C(C)(C)C)C(C)(C)C1 ZINC001485581463 927889169 /nfs/dbraw/zinc/88/91/69/927889169.db2.gz DNCMBAOQCMLOSV-CABCVRRESA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C2CC2)C(C)(C)C1 ZINC001485574334 927892076 /nfs/dbraw/zinc/89/20/76/927892076.db2.gz QJPLAEJCTOUXOU-OAHLLOKOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC(C)C)C[C@@H]2C1 ZINC001485654415 927895344 /nfs/dbraw/zinc/89/53/44/927895344.db2.gz AZMHDOVBAVORCD-OWCLPIDISA-N 1 1 292.467 3.071 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3CC)CCC[C@H]12 ZINC001486144141 927990994 /nfs/dbraw/zinc/99/09/94/927990994.db2.gz GAVBPJOCFBRDDG-CBZIJGRNSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C=C(CC)CC)[C@@H]1C ZINC001486168894 927992016 /nfs/dbraw/zinc/99/20/16/927992016.db2.gz ALWWVCYQDDINBQ-DZGCQCFKSA-N 1 1 298.858 3.454 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C=C(CC)CC)[C@@H]1C ZINC001486168894 927992029 /nfs/dbraw/zinc/99/20/29/927992029.db2.gz ALWWVCYQDDINBQ-DZGCQCFKSA-N 1 1 298.858 3.454 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)CCC)[C@H]1C ZINC001486180399 927997259 /nfs/dbraw/zinc/99/72/59/927997259.db2.gz MLLUYBTZVGAVQE-HUUCEWRRSA-N 1 1 280.456 3.358 20 30 CGEDMO C#CCCCCCC[N@H+]1C[C@H]2CCCC[C@@]2(C(=O)OC)C1 ZINC001559950544 937210983 /nfs/dbraw/zinc/21/09/83/937210983.db2.gz OAXLPDJSWAIVRC-SJLPKXTDSA-N 1 1 291.435 3.235 20 30 CGEDMO C#CCC[N@H+](C)CCN(C(=O)C1CCCCCC1)C(C)C ZINC001486364326 928009477 /nfs/dbraw/zinc/00/94/77/928009477.db2.gz GDFSQAKFCZYHEQ-UHFFFAOYSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCCCC[N@@H+]1CC=C(CNC(=O)[C@H]2C[C@@H]2C)CC1 ZINC001486514054 928029409 /nfs/dbraw/zinc/02/94/09/928029409.db2.gz TWRNDYOHDHUZDA-RDJZCZTQSA-N 1 1 290.451 3.137 20 30 CGEDMO C[C@@H](CCCC#N)[NH+]1CCC(N)(c2cccc(F)c2)CC1 ZINC001172486610 928223455 /nfs/dbraw/zinc/22/34/55/928223455.db2.gz GLLDJNORRHYKIU-AWEZNQCLSA-N 1 1 289.398 3.158 20 30 CGEDMO C[C@H](CCCC#N)[NH+]1CCC(N)(c2cccc(F)c2)CC1 ZINC001172486613 928223903 /nfs/dbraw/zinc/22/39/03/928223903.db2.gz GLLDJNORRHYKIU-CQSZACIVSA-N 1 1 289.398 3.158 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CC[N@H+](C[C@@H](C)CC)[C@@H]1C ZINC001489268769 928321532 /nfs/dbraw/zinc/32/15/32/928321532.db2.gz RYGHQBUOGSFZIU-UXLLHSPISA-N 1 1 292.467 3.380 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CC[N@H+](C[C@H](C)CC)[C@@H]1C ZINC001489268768 928321809 /nfs/dbraw/zinc/32/18/09/928321809.db2.gz RYGHQBUOGSFZIU-INMHGKMJSA-N 1 1 292.467 3.380 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCCC[N@H+](C)Cc1ccsc1 ZINC001490234145 928337042 /nfs/dbraw/zinc/33/70/42/928337042.db2.gz WNMVHLBJZWIBJV-UHFFFAOYSA-N 1 1 294.464 3.289 20 30 CGEDMO C=CCC[N@@H+](C)CCCNC(=O)c1coc2ccccc21 ZINC001490286145 928339148 /nfs/dbraw/zinc/33/91/48/928339148.db2.gz HHHQMHRMPYHFQD-UHFFFAOYSA-N 1 1 286.375 3.061 20 30 CGEDMO CC#CC[N@H+](CC)CCCNC(=O)[C@H]1CCCC[C@H]1CC ZINC001490351864 928347744 /nfs/dbraw/zinc/34/77/44/928347744.db2.gz PMSMTQFBWSCAMU-SJORKVTESA-N 1 1 292.467 3.054 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)c1cc(F)ccc1C ZINC001490338235 928351889 /nfs/dbraw/zinc/35/18/89/928351889.db2.gz XCODUBSPGBNEGA-UHFFFAOYSA-N 1 1 292.398 3.152 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CCC2(C)CC2)C1 ZINC001490567727 928370630 /nfs/dbraw/zinc/37/06/30/928370630.db2.gz BXMNSRBMWTVDMD-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](CC)CC2CCCC2)C1 ZINC001490563508 928373220 /nfs/dbraw/zinc/37/32/20/928373220.db2.gz NZHKEMJRJMURPR-SJORKVTESA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001490570229 928376608 /nfs/dbraw/zinc/37/66/08/928376608.db2.gz KGVOPLAUQCQAQO-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H](C[N@@H+](C)C/C=C\Cl)C1 ZINC001490758561 928388156 /nfs/dbraw/zinc/38/81/56/928388156.db2.gz JJBXQWQWBCALKA-ZHMISCPASA-N 1 1 298.858 3.266 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CC)CCNC(=O)c1cccc(F)c1 ZINC001492906587 937243946 /nfs/dbraw/zinc/24/39/46/937243946.db2.gz NFOVVHGTXXSPMN-CQSZACIVSA-N 1 1 292.398 3.232 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1cc(OC)cc(C)n1 ZINC001460886295 928748262 /nfs/dbraw/zinc/74/82/62/928748262.db2.gz MPDQAGPPYLQVEV-OAHLLOKOSA-N 1 1 260.381 3.329 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]2C[N@@H+](CCC3CC3)CC[C@H]21 ZINC001490982795 928821435 /nfs/dbraw/zinc/82/14/35/928821435.db2.gz DNQCEDTZOXKMRT-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C=C(CC)CC)C1 ZINC001490988075 928822615 /nfs/dbraw/zinc/82/26/15/928822615.db2.gz ZBLLCRROKWOYJW-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)c2ccco2)C1 ZINC001491090947 928829807 /nfs/dbraw/zinc/82/98/07/928829807.db2.gz PRLQACQBFNVMAG-HUUCEWRRSA-N 1 1 290.407 3.076 20 30 CGEDMO C#CCCCC(=O)NC[C@H]1CCCC[N@@H+]1CCCC(C)C ZINC001491209046 928845199 /nfs/dbraw/zinc/84/51/99/928845199.db2.gz WLLBXFKOHHWSGC-QGZVFWFLSA-N 1 1 292.467 3.197 20 30 CGEDMO CCC(CC)CN(CCC#N)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001443564132 937347580 /nfs/dbraw/zinc/34/75/80/937347580.db2.gz PMMPPPVYEYTCNZ-UHFFFAOYSA-N 1 1 295.471 3.143 20 30 CGEDMO CCCC[N@@H+](C)CCNc1ncc(C#N)c2ccsc21 ZINC001458176631 937453601 /nfs/dbraw/zinc/45/36/01/937453601.db2.gz YHSWCHSVOOHWAZ-UHFFFAOYSA-N 1 1 288.420 3.312 20 30 CGEDMO C#CCOCC[N@H+](Cc1ccccc1)Cc1ccccc1F ZINC001459364854 937486498 /nfs/dbraw/zinc/48/64/98/937486498.db2.gz WMDHSEBSASIABI-UHFFFAOYSA-N 1 1 297.373 3.478 20 30 CGEDMO C#CCOCC[N@@H+](Cc1ccccc1)Cc1ccccc1F ZINC001459364854 937486501 /nfs/dbraw/zinc/48/65/01/937486501.db2.gz WMDHSEBSASIABI-UHFFFAOYSA-N 1 1 297.373 3.478 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CCCc2cc(OC)ccc2C1 ZINC001459436395 937488004 /nfs/dbraw/zinc/48/80/04/937488004.db2.gz HVJPDTXOWKEEIM-AWEZNQCLSA-N 1 1 257.377 3.245 20 30 CGEDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001459958818 937508281 /nfs/dbraw/zinc/50/82/81/937508281.db2.gz CBKSTPSWAGFOEK-BFQNTYOBSA-N 1 1 292.810 3.193 20 30 CGEDMO Cc1ccc(C[N@H+](C)CC#Cc2ccc(F)cc2)nc1 ZINC001460156435 937518467 /nfs/dbraw/zinc/51/84/67/937518467.db2.gz FSDWLCOOQSMYKU-UHFFFAOYSA-N 1 1 268.335 3.013 20 30 CGEDMO Cc1ccc(C[N@@H+](C)CC#Cc2ccc(F)cc2)nc1 ZINC001460156435 937518469 /nfs/dbraw/zinc/51/84/69/937518469.db2.gz FSDWLCOOQSMYKU-UHFFFAOYSA-N 1 1 268.335 3.013 20 30 CGEDMO N#CCCCC[N@@H+]1C[C@H]2[C@H](C[C@@H]2c2ccccc2)C1 ZINC001460618898 937536749 /nfs/dbraw/zinc/53/67/49/937536749.db2.gz QICAGJPWCUXRMW-ZACQAIPSSA-N 1 1 254.377 3.416 20 30 CGEDMO CCCCCCCCC[N@H+]1CCC[C@@H](NC(=O)NC)C1 ZINC001460773150 937544046 /nfs/dbraw/zinc/54/40/46/937544046.db2.gz VAKSOOYJEIMBGH-OAHLLOKOSA-N 1 1 283.460 3.130 20 30 CGEDMO C#CC[N@H+](CCC(=O)Nc1cccc(F)c1C)C(C)(C)C ZINC001460807032 937545705 /nfs/dbraw/zinc/54/57/05/937545705.db2.gz LKVKNPVJZQVXON-UHFFFAOYSA-N 1 1 290.382 3.196 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1CCCSCCOC ZINC001460887470 937548401 /nfs/dbraw/zinc/54/84/01/937548401.db2.gz UWJWQGSOYXRVCU-CQSZACIVSA-N 1 1 257.443 3.187 20 30 CGEDMO CC(C)[N@@H+](CCCCCO)Cc1ccc(C#N)c(F)c1 ZINC001139531381 931953113 /nfs/dbraw/zinc/95/31/13/931953113.db2.gz ZAHNFDUNCFIEPX-UHFFFAOYSA-N 1 1 278.371 3.070 20 30 CGEDMO C#C[C@H]1CCCC[N@@H+]1CCCc1ccccc1OC ZINC001460919291 937553278 /nfs/dbraw/zinc/55/32/78/937553278.db2.gz RDNSBFCGRKVDQB-INIZCTEOSA-N 1 1 257.377 3.116 20 30 CGEDMO CCCc1cc(N(C)Cc2ccc(C#N)cc2)nc(C)[nH+]1 ZINC001166539860 931997748 /nfs/dbraw/zinc/99/77/48/931997748.db2.gz UUHZGBHLHAXHBJ-UHFFFAOYSA-N 1 1 280.375 3.246 20 30 CGEDMO Cc1[nH]c2nc[nH+]c(N(C)Cc3ccc(C#N)cc3)c2c1C ZINC001166539569 931997779 /nfs/dbraw/zinc/99/77/79/931997779.db2.gz ISPLJYMBJFVFFP-UHFFFAOYSA-N 1 1 291.358 3.083 20 30 CGEDMO CC(C)C#CC(=O)NC[C@@H](C)[N@@H+](C)CCCC1CCCC1 ZINC001329430821 932000225 /nfs/dbraw/zinc/00/02/25/932000225.db2.gz GGWFRESUVLPAII-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO CC(C)C#CC(=O)NC[C@H](C)[N@@H+](C)CCCC1CCCC1 ZINC001329430818 932000242 /nfs/dbraw/zinc/00/02/42/932000242.db2.gz GGWFRESUVLPAII-INIZCTEOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCCC(=O)NC[C@@H](C)[N@@H+](C)CC1CC(C)(C)C1 ZINC001329530277 932005820 /nfs/dbraw/zinc/00/58/20/932005820.db2.gz FWJHOWRXZBAFQF-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@H]2CCCCC[N@@H+]2CCC)C1 ZINC001329936720 932029188 /nfs/dbraw/zinc/02/91/88/932029188.db2.gz LWLJQWRDGVJLKT-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[C@H]1CCCN(C(=O)N[C@@H](C)C[N@H+](CC)CCC)C1 ZINC001229568408 932173480 /nfs/dbraw/zinc/17/34/80/932173480.db2.gz DCBMCIOXALNOEY-HOTGVXAUSA-N 1 1 295.471 3.105 20 30 CGEDMO CC[C@@H](C)[C@@H](C[N@@H+](CCC#N)CC(C)(C)C)OC ZINC001461899346 937605317 /nfs/dbraw/zinc/60/53/17/937605317.db2.gz NYTAALGANJXRFA-ZIAGYGMSSA-N 1 1 254.418 3.309 20 30 CGEDMO N#CCc1ccccc1O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001230271379 932549839 /nfs/dbraw/zinc/54/98/39/932549839.db2.gz ACECZYNUVSUJNS-SFHVURJKSA-N 1 1 292.382 3.406 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCC(=C)C)CC1 ZINC001230571413 932591489 /nfs/dbraw/zinc/59/14/89/932591489.db2.gz DMOCALIKGCFNEN-QGZVFWFLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CCC(=O)N1CCC([C@@H]2CCC[N@H+]2CCF)CC1 ZINC001230572053 932591860 /nfs/dbraw/zinc/59/18/60/932591860.db2.gz LBQCNIRUZAOQAO-INIZCTEOSA-N 1 1 296.430 3.015 20 30 CGEDMO Cc1cc(C#N)ccc1O[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001230682205 932608644 /nfs/dbraw/zinc/60/86/44/932608644.db2.gz HRUDRAYTDMGETK-OAHLLOKOSA-N 1 1 258.365 3.118 20 30 CGEDMO C#Cc1ccc(C[N@@H+](CCC)[C@H](CC)C(=O)OCC)cc1 ZINC001462087795 937616613 /nfs/dbraw/zinc/61/66/13/937616613.db2.gz ODTQGEQUIDYVQM-QGZVFWFLSA-N 1 1 287.403 3.222 20 30 CGEDMO C#Cc1ccc(C[N@H+](CCC)[C@H](CC)C(=O)OCC)cc1 ZINC001462087795 937616616 /nfs/dbraw/zinc/61/66/16/937616616.db2.gz ODTQGEQUIDYVQM-QGZVFWFLSA-N 1 1 287.403 3.222 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H](Oc2cnc3ccccc3c2C#N)C1 ZINC001234854632 932687690 /nfs/dbraw/zinc/68/76/90/932687690.db2.gz KVCZYLHNOQEKAI-CQSZACIVSA-N 1 1 295.386 3.358 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CCC[N@@H+](CCC2CC2)[C@H]1C ZINC001332197110 932735328 /nfs/dbraw/zinc/73/53/28/932735328.db2.gz AAUMDPYRWMXSKT-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N(C)C[C@H]1CC[N@H+]1CC1CCCC1 ZINC001316605227 932746586 /nfs/dbraw/zinc/74/65/86/932746586.db2.gz IXYLHSNFZMJDDU-SJLPKXTDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]([N@H+](C)CC2CC(C)C2)C1 ZINC001491928390 932798908 /nfs/dbraw/zinc/79/89/08/932798908.db2.gz FHETUFHGJJQYKM-JCYILVPMSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC1(C)C ZINC001492166114 932809405 /nfs/dbraw/zinc/80/94/05/932809405.db2.gz HFSACSZEAZPNDT-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+](C)CCNC(=O)C[C@@H](C)C1CCCCC1 ZINC001492453406 932817678 /nfs/dbraw/zinc/81/76/78/932817678.db2.gz GNBBLQKSVKRNSL-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H](C)[NH2+]C/C(Cl)=C\Cl ZINC001317243024 932823601 /nfs/dbraw/zinc/82/36/01/932823601.db2.gz WJKRIASRVHVNKI-UEUZTHOGSA-N 1 1 293.238 3.002 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C(CC)CC)[C@H]1CC ZINC001316732716 932848880 /nfs/dbraw/zinc/84/88/80/932848880.db2.gz IEHLMOZFJVBUHD-CWRNSKLLSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)c1occc1Cl ZINC001316846583 932868928 /nfs/dbraw/zinc/86/89/28/932868928.db2.gz LRTWVNCXDJLQKE-GFCCVEGCSA-N 1 1 298.814 3.339 20 30 CGEDMO Cc1cc(NCCC[N@H+](C)Cc2ccccc2)ncc1C#N ZINC001306917585 932896160 /nfs/dbraw/zinc/89/61/60/932896160.db2.gz JDMKGEBXFNWFJQ-UHFFFAOYSA-N 1 1 294.402 3.196 20 30 CGEDMO CC[N@H+](C[C@@H](C)C#N)C[C@H]1CC2(CO1)CCCCC2 ZINC001307438500 932953150 /nfs/dbraw/zinc/95/31/50/932953150.db2.gz KQMFFGXRIJSVJX-LSDHHAIUSA-N 1 1 264.413 3.207 20 30 CGEDMO CC[N@@H+](C[C@@H](C)C#N)C[C@H]1CC2(CO1)CCCCC2 ZINC001307438500 932953152 /nfs/dbraw/zinc/95/31/52/932953152.db2.gz KQMFFGXRIJSVJX-LSDHHAIUSA-N 1 1 264.413 3.207 20 30 CGEDMO COC[C@H](C[N@@H+](CCC#N)CC(C)(C)C)C(C)C ZINC001307485497 932959393 /nfs/dbraw/zinc/95/93/93/932959393.db2.gz INQZHJWMAPQBDH-AWEZNQCLSA-N 1 1 254.418 3.167 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)C[Si](C)(C)c1ccccc1 ZINC001307514452 932964698 /nfs/dbraw/zinc/96/46/98/932964698.db2.gz NQUYAPAYFPDWCF-UHFFFAOYSA-N 1 1 288.511 3.403 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCC[C@@H]1COC(=O)N(CC)CC ZINC001307744725 932996015 /nfs/dbraw/zinc/99/60/15/932996015.db2.gz AQYYQOPQKUOWIC-OAHLLOKOSA-N 1 1 282.428 3.286 20 30 CGEDMO C#CCOCC[N@H+](C)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC001307844664 933007846 /nfs/dbraw/zinc/00/78/46/933007846.db2.gz RTXUNOGAXXRZDZ-ZWKOTPCHSA-N 1 1 271.404 3.294 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC001307962906 933027480 /nfs/dbraw/zinc/02/74/80/933027480.db2.gz YLOGVLLTJSAXMT-LLVKDONJSA-N 1 1 281.302 3.406 20 30 CGEDMO C#CC[N@@H+](C[C@@H](O)c1ccc(F)cc1Cl)C(C)(C)C ZINC001308087714 933045767 /nfs/dbraw/zinc/04/57/67/933045767.db2.gz HGDHBOOJVNLDHY-CQSZACIVSA-N 1 1 283.774 3.246 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1CCCOCC(F)(F)F ZINC001308138092 933055241 /nfs/dbraw/zinc/05/52/41/933055241.db2.gz VLFBSMMQAXCCHA-GFCCVEGCSA-N 1 1 265.319 3.386 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1C[C@H](O)Cc1ccccc1C(F)(F)F ZINC001308143385 933057136 /nfs/dbraw/zinc/05/71/36/933057136.db2.gz ZOEZBNDBKWBSMN-UONOGXRCSA-N 1 1 299.336 3.259 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC001308143384 933057502 /nfs/dbraw/zinc/05/75/02/933057502.db2.gz ZOEZBNDBKWBSMN-KGLIPLIRSA-N 1 1 299.336 3.259 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCCC[C@H]2[C@@H]2CCCO2)cc1 ZINC001308158868 933061534 /nfs/dbraw/zinc/06/15/34/933061534.db2.gz FEWAZVOOLXGPCV-ROUUACIJSA-N 1 1 284.403 3.134 20 30 CGEDMO CC#CC[N@@H+](C)Cc1ccc(C(F)(F)F)cc1C ZINC001462628814 937655521 /nfs/dbraw/zinc/65/55/21/937655521.db2.gz HZRRZDJTNKCOQC-UHFFFAOYSA-N 1 1 255.283 3.469 20 30 CGEDMO C[C@@H](CC#N)[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC001308506003 933121892 /nfs/dbraw/zinc/12/18/92/933121892.db2.gz OXTGYPZWCXCVFW-QMMMGPOBSA-N 1 1 274.698 3.333 20 30 CGEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CCC[C@H](C2CC2)C1 ZINC001308798431 933178895 /nfs/dbraw/zinc/17/88/95/933178895.db2.gz BXCQYRQPJOFXHJ-INIZCTEOSA-N 1 1 283.419 3.246 20 30 CGEDMO C#CCCCCCC[NH2+][C@H](C)C(=O)OCc1ccccc1 ZINC001308839672 933187752 /nfs/dbraw/zinc/18/77/52/933187752.db2.gz JCXKYRUMAWVIOZ-MRXNPFEDSA-N 1 1 287.403 3.292 20 30 CGEDMO C=C(C)c1cccc(NC(=O)NCC[N@@H+]2CC[C@H](C)C2)c1 ZINC001311298402 933287378 /nfs/dbraw/zinc/28/73/78/933287378.db2.gz MCEHDRWMDCJBBT-AWEZNQCLSA-N 1 1 287.407 3.183 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](CCC)CC(C)C ZINC001317513270 933316935 /nfs/dbraw/zinc/31/69/35/933316935.db2.gz JEXDTVLFJWDOLJ-SJORKVTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC2(C)C)C1 ZINC001316984361 933465530 /nfs/dbraw/zinc/46/55/30/933465530.db2.gz JJSYATFHMTWVDK-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)CC(C)C)[C@H]1CC ZINC001316739260 933477329 /nfs/dbraw/zinc/47/73/29/933477329.db2.gz ORHRGMOQZHEGQL-YESZJQIVSA-N 1 1 292.467 3.051 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1ccoc1 ZINC001316803294 933482018 /nfs/dbraw/zinc/48/20/18/933482018.db2.gz IUFHXGJSSYQHJM-INIZCTEOSA-N 1 1 290.407 3.172 20 30 CGEDMO C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[C@H](CC)C(C)C ZINC001316806895 933482153 /nfs/dbraw/zinc/48/21/53/933482153.db2.gz NSFMVEONVVHPCI-IRXDYDNUSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](F)C(C)C)CC(C)(C)C1 ZINC001316810380 933484732 /nfs/dbraw/zinc/48/47/32/933484732.db2.gz GUUVFUKEHJTUSR-HUUCEWRRSA-N 1 1 298.446 3.163 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCNC(=O)[C@@H]1C[C@]1(C)C(C)C ZINC001316858607 933486755 /nfs/dbraw/zinc/48/67/55/933486755.db2.gz WYAVQTWGNORIOK-DOTOQJQBSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CC)CCCNC(=O)C(C)(C)C ZINC001316905919 933491731 /nfs/dbraw/zinc/49/17/31/933491731.db2.gz MKQSBABKBHXAHZ-CQSZACIVSA-N 1 1 268.445 3.215 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)C(C)(C)C(C)C)C1CC1 ZINC001316916708 933494208 /nfs/dbraw/zinc/49/42/08/933494208.db2.gz OQBQHUOJCSLDMZ-UHFFFAOYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@@H+](CCCNC(=O)c1c(C)coc1C)C1CC1 ZINC001316917459 933494730 /nfs/dbraw/zinc/49/47/30/933494730.db2.gz KWQVAESXQNLENG-UHFFFAOYSA-N 1 1 290.407 3.057 20 30 CGEDMO C=C(C)C[N@@H+](CCCNC(=O)C1CCC(F)CC1)C1CC1 ZINC001316922362 933494805 /nfs/dbraw/zinc/49/48/05/933494805.db2.gz IVWNYCBZHOQPRF-UHFFFAOYSA-N 1 1 296.430 3.062 20 30 CGEDMO C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@H](C)CCC)C1 ZINC001317035334 933518270 /nfs/dbraw/zinc/51/82/70/933518270.db2.gz KQTYXCNMQVKFLL-SJORKVTESA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)/C(C)=C\CC)C1 ZINC001317036465 933519181 /nfs/dbraw/zinc/51/91/81/933519181.db2.gz VDAGKCNKJOAQKH-QOBZYLRHSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001317140646 933541127 /nfs/dbraw/zinc/54/11/27/933541127.db2.gz VBLBIQAIOXTNIK-HNNXBMFYSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CC=CCC1 ZINC001317173760 933547448 /nfs/dbraw/zinc/54/74/48/933547448.db2.gz NBLQTCVIVDPLNH-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H](C)CCCCC ZINC001317175958 933547983 /nfs/dbraw/zinc/54/79/83/933547983.db2.gz INGYWFSLYNIVCD-IAGOWNOFSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)C2CCC2)C1 ZINC001317374708 933579948 /nfs/dbraw/zinc/57/99/48/933579948.db2.gz FIYDXHBHHKRHBJ-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](CC)CC(C)C)C1 ZINC001317381000 933581456 /nfs/dbraw/zinc/58/14/56/933581456.db2.gz IDJRZZYXWNIVPI-IAGOWNOFSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)CC(=C)C)C1 ZINC001317381702 933581702 /nfs/dbraw/zinc/58/17/02/933581702.db2.gz BQMSIKQLHCACQV-OAHLLOKOSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)C2(CCC)CCC2)C1 ZINC001317379823 933582470 /nfs/dbraw/zinc/58/24/70/933582470.db2.gz SECWUZGAFRKTQQ-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H](C)C1CCC1 ZINC001317424384 933590514 /nfs/dbraw/zinc/59/05/14/933590514.db2.gz QHJKVRKNPPZLCE-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)[C@]1(C)CCC[C@@H]1CC ZINC001317452118 933594419 /nfs/dbraw/zinc/59/44/19/933594419.db2.gz VUALNGWEYBVCKV-DOTOQJQBSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)CC(C)=C(C)C ZINC001317506109 933607207 /nfs/dbraw/zinc/60/72/07/933607207.db2.gz QZBHQRMIECPZPY-MRXNPFEDSA-N 1 1 278.440 3.280 20 30 CGEDMO C=C(C)CC[N@H+](CCNC(=O)C[C@@H]1CCC[C@@H]1C)C1CC1 ZINC001317550927 933617687 /nfs/dbraw/zinc/61/76/87/933617687.db2.gz DCSXQNZNGCFNCO-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+](CCNC(=O)c1ccccc1CCC)C1CC1 ZINC001317554317 933617710 /nfs/dbraw/zinc/61/77/10/933617710.db2.gz GCMBRLKMRDQXQK-UHFFFAOYSA-N 1 1 286.419 3.019 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)CC ZINC001317741110 933640713 /nfs/dbraw/zinc/64/07/13/933640713.db2.gz WMLUGMBBRLQTEW-LUKYLMHMSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCCC(=O)N(CCC)[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001317753280 933643147 /nfs/dbraw/zinc/64/31/47/933643147.db2.gz IQUYHRKSVFZWIL-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N(CCC)[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC001317764381 933646314 /nfs/dbraw/zinc/64/63/14/933646314.db2.gz YYXPTQFEPMVCBO-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H](CCNC(=O)C(CC)(CC)CC)C1 ZINC001317804665 933652706 /nfs/dbraw/zinc/65/27/06/933652706.db2.gz DFWVAWAUVATVID-MRXNPFEDSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](CCNC(=O)c2ccc(Cl)s2)C1 ZINC001317808384 933653847 /nfs/dbraw/zinc/65/38/47/933653847.db2.gz GDKPJUCMODQRNN-NSHDSACASA-N 1 1 298.839 3.029 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C)C1 ZINC001317847943 933656443 /nfs/dbraw/zinc/65/64/43/933656443.db2.gz JINLLKZRNVLKSB-IXDOHACOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)C(CC)CC)C1 ZINC001317827730 933656810 /nfs/dbraw/zinc/65/68/10/933656810.db2.gz YKSHANURPUXABY-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H](C[N@H+](C)CC/C=C/CC)C1 ZINC001317849328 933658401 /nfs/dbraw/zinc/65/84/01/933658401.db2.gz UJFDATURGPXWAR-ROJDOSBLSA-N 1 1 292.467 3.335 20 30 CGEDMO C=CCCC[N@H+](C)CC1CCN(C(=O)CC2(C)CC2)CC1 ZINC001317876115 933661925 /nfs/dbraw/zinc/66/19/25/933661925.db2.gz BIEUOJBNXVPEMA-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](C=C)CC)C1 ZINC001317943704 933667914 /nfs/dbraw/zinc/66/79/14/933667914.db2.gz QWMLYXVCWNFWQG-HZPDHXFCSA-N 1 1 278.440 3.136 20 30 CGEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CCCCC)C2)cc1 ZINC001317977238 933672200 /nfs/dbraw/zinc/67/22/00/933672200.db2.gz FTCFIIWGWMMWQS-SFHVURJKSA-N 1 1 298.430 3.052 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC1C[NH+]([C@H]2CCc3ccccc32)C1 ZINC001318061413 933680156 /nfs/dbraw/zinc/68/01/56/933680156.db2.gz SWFOAVKWNDRRMJ-PKOBYXMFSA-N 1 1 298.430 3.077 20 30 CGEDMO C=CCCC[NH+]1CC(NC(=O)c2ccc(Cl)cc2C)C1 ZINC001318059666 933680253 /nfs/dbraw/zinc/68/02/53/933680253.db2.gz TVBICOJJWMEBFL-UHFFFAOYSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CCCC[NH+]1CC(NC(=O)c2ccc(C(F)F)cc2)C1 ZINC001318070946 933683806 /nfs/dbraw/zinc/68/38/06/933683806.db2.gz GVEMXWJASACWQD-UHFFFAOYSA-N 1 1 294.345 3.004 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)CCCC ZINC001318195920 933693898 /nfs/dbraw/zinc/69/38/98/933693898.db2.gz LELZTMRMJCJNLX-PMPSAXMXSA-N 1 1 278.440 3.064 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)CC(C)C)C1 ZINC001318231451 933698321 /nfs/dbraw/zinc/69/83/21/933698321.db2.gz MJLMUKATNRKFKT-HNNXBMFYSA-N 1 1 268.445 3.193 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2C)C1 ZINC001318239450 933699017 /nfs/dbraw/zinc/69/90/17/933699017.db2.gz SYFGKSLXPXVPOP-CVEARBPZSA-N 1 1 286.419 3.213 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H](NC(=O)C2(C3CCC3)CCC2)C1 ZINC001318266120 933704469 /nfs/dbraw/zinc/70/44/69/933704469.db2.gz MYPDCEGRRGDMKR-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C(C)(C)C(=C)C)C1 ZINC001318346935 933712604 /nfs/dbraw/zinc/71/26/04/933712604.db2.gz KLLYSJQPRUDMIN-HUUCEWRRSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C=C)c2ccccc2)C1 ZINC001318446024 933727711 /nfs/dbraw/zinc/72/77/11/933727711.db2.gz SGQYIAKOEKXTFT-MSOLQXFVSA-N 1 1 298.430 3.065 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)C[C@@H]2CC=CCC2)C1 ZINC001318478096 933731729 /nfs/dbraw/zinc/73/17/29/933731729.db2.gz KAWNSXOFZACJCZ-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)C[C@@H]2CC=CCC2)C1 ZINC001318478094 933733038 /nfs/dbraw/zinc/73/30/38/933733038.db2.gz KAWNSXOFZACJCZ-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO N#CCSCCC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001319255143 933848102 /nfs/dbraw/zinc/84/81/02/933848102.db2.gz BJHBILBHKRADNN-UONOGXRCSA-N 1 1 252.427 3.145 20 30 CGEDMO C=CCCCCCCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001467873812 937723048 /nfs/dbraw/zinc/72/30/48/937723048.db2.gz DYQNDMXRGUDCJM-MRXNPFEDSA-N 1 1 280.456 3.361 20 30 CGEDMO C#CC[N@@H+](Cc1coc(-c2ccc(OC)cc2)n1)CC1CC1 ZINC001319551792 933892155 /nfs/dbraw/zinc/89/21/55/933892155.db2.gz KEPPPYGKOUTSJB-UHFFFAOYSA-N 1 1 296.370 3.195 20 30 CGEDMO C#CC[N@H+](Cc1coc(-c2ccc(OC)cc2)n1)CC1CC1 ZINC001319551792 933892157 /nfs/dbraw/zinc/89/21/57/933892157.db2.gz KEPPPYGKOUTSJB-UHFFFAOYSA-N 1 1 296.370 3.195 20 30 CGEDMO C#CCOCC[N@H+](C)[C@H](C)c1ccc(F)c(Cl)c1 ZINC001319655067 933909344 /nfs/dbraw/zinc/90/93/44/933909344.db2.gz BWSJIENOLSGJPR-LLVKDONJSA-N 1 1 269.747 3.122 20 30 CGEDMO C=CCC(C)(C)C(=O)N(C)CC[N@H+](C)CCC(C)C ZINC001320054801 933988995 /nfs/dbraw/zinc/98/89/95/933988995.db2.gz JPRMBWYQLBYKRF-UHFFFAOYSA-N 1 1 268.445 3.025 20 30 CGEDMO C=CC[N@H+](C)CCN(C)C(=O)C(C)(C)CC(C)(C)C ZINC001320085977 933994052 /nfs/dbraw/zinc/99/40/52/933994052.db2.gz VCBOUNYITOWDHF-UHFFFAOYSA-N 1 1 268.445 3.025 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C=C)CC[C@H]21 ZINC001320103445 934001121 /nfs/dbraw/zinc/00/11/21/934001121.db2.gz KQAPZKCCUVGJSN-HZPDHXFCSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C=C)CC[C@@H]21 ZINC001320103441 934001425 /nfs/dbraw/zinc/00/14/25/934001425.db2.gz KQAPZKCCUVGJSN-CVEARBPZSA-N 1 1 290.451 3.088 20 30 CGEDMO CCCCCCCCNC(=O)N1CC[N@@H+](CC)C[C@@H]1CC ZINC001469424883 937739375 /nfs/dbraw/zinc/73/93/75/937739375.db2.gz WTOKUPFKPKESAM-INIZCTEOSA-N 1 1 297.487 3.473 20 30 CGEDMO CC[C@H](N[C@H]1CCCC[C@H]1[NH+](C)C)c1ccc(C#N)cc1 ZINC001321282540 934171876 /nfs/dbraw/zinc/17/18/76/934171876.db2.gz KWLKQENCGOPRLZ-OKZBNKHCSA-N 1 1 285.435 3.472 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](C[C@H](OC)c2ccc(Cl)cc2)C1 ZINC001322716262 934332790 /nfs/dbraw/zinc/33/27/90/934332790.db2.gz GUOVLZJJZDWNGI-CVEARBPZSA-N 1 1 295.810 3.304 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC001322744247 934333243 /nfs/dbraw/zinc/33/32/43/934333243.db2.gz CPPQHSXKVHWQNA-BPQIPLTHSA-N 1 1 284.403 3.316 20 30 CGEDMO C=CCCC[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001471588678 937767122 /nfs/dbraw/zinc/76/71/22/937767122.db2.gz IBVKVUSOTFTBHJ-SJORKVTESA-N 1 1 286.419 3.294 20 30 CGEDMO C=CCCCC(=O)N1CC[C@@]2(CC[N@H+](CC[C@@H](C)F)C2)C1 ZINC001323860763 934432558 /nfs/dbraw/zinc/43/25/58/934432558.db2.gz VMVJZFPZXONMSI-NVXWUHKLSA-N 1 1 296.430 3.015 20 30 CGEDMO Cc1ccc(N[NH+]=Cc2cccnc2N)cc1Cl ZINC001323962603 934442797 /nfs/dbraw/zinc/44/27/97/934442797.db2.gz MFQHMFPZEJOFAU-UHFFFAOYSA-N 1 1 260.728 3.072 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)[C@H]2CC[C@@H](SC)C2)cc1 ZINC001324358297 934493070 /nfs/dbraw/zinc/49/30/70/934493070.db2.gz JGIPQCGJAXDWCH-JKSUJKDBSA-N 1 1 259.418 3.384 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)[C@@H]2CC[C@@H](SC)C2)cc1 ZINC001324358296 934493485 /nfs/dbraw/zinc/49/34/85/934493485.db2.gz JGIPQCGJAXDWCH-HZPDHXFCSA-N 1 1 259.418 3.384 20 30 CGEDMO CC#CCCCC(=O)N[C@@]1(C)CC[N@H+](CC/C=C/CC)C1 ZINC001324640676 934537156 /nfs/dbraw/zinc/53/71/56/934537156.db2.gz FKUNNECFHSLRHQ-KOEDOTQGSA-N 1 1 290.451 3.117 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)C/C=C\c2ccc(C)cc2)C1 ZINC001324679736 934548506 /nfs/dbraw/zinc/54/85/06/934548506.db2.gz FMBIIPXKIQMDNY-VOFKWLDRSA-N 1 1 298.430 3.165 20 30 CGEDMO CC[C@H](C)[C@H](C)[N@@H+](C[C@H](O)c1cccc(C#N)c1)C1CC1 ZINC001473155504 937794688 /nfs/dbraw/zinc/79/46/88/937794688.db2.gz CKYJRBKCWGRTHN-DEYYWGMASA-N 1 1 286.419 3.491 20 30 CGEDMO CCC#C[C@@H](C)[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC001473310902 937801272 /nfs/dbraw/zinc/80/12/72/937801272.db2.gz CINFUIYALZIADC-OAHLLOKOSA-N 1 1 297.398 3.349 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@](C)(CNC(=O)C=C(C)C)C1 ZINC001324910425 934871223 /nfs/dbraw/zinc/87/12/23/934871223.db2.gz RZXOGCMJAFFQTR-QGZVFWFLSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)C(C)=C2CCC2)C1 ZINC001324935143 934873853 /nfs/dbraw/zinc/87/38/53/934873853.db2.gz BJPYIYFEOMWDIA-SFHVURJKSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC001325012887 934881008 /nfs/dbraw/zinc/88/10/08/934881008.db2.gz LSMRCDNFBALONQ-KRWDZBQOSA-N 1 1 257.377 3.341 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)[C@@H](C)CC)C[C@H]2C1 ZINC001325765808 934928504 /nfs/dbraw/zinc/92/85/04/934928504.db2.gz ATAMEBZEQNERCY-LUKYLMHMSA-N 1 1 292.467 3.025 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](CCOc2ccc(SC)cc2)C1 ZINC001473587335 937812664 /nfs/dbraw/zinc/81/26/64/937812664.db2.gz JQYHEZPBHIENEV-CQSZACIVSA-N 1 1 275.417 3.133 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC(C)=C(C)C ZINC001325897294 934938153 /nfs/dbraw/zinc/93/81/53/934938153.db2.gz KFYOZBPKTFJIKR-SJORKVTESA-N 1 1 290.451 3.374 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)C(CC)CC)CC1 ZINC001327130284 935033145 /nfs/dbraw/zinc/03/31/45/935033145.db2.gz KZKFCPPQQWCOQK-NVXWUHKLSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C2(CCCC)CC2)CC1 ZINC001327148236 935035912 /nfs/dbraw/zinc/03/59/12/935035912.db2.gz RGGLFBLFJLIABJ-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@](C)(C=C)CC)CC1 ZINC001327149098 935036496 /nfs/dbraw/zinc/03/64/96/935036496.db2.gz XTIWSOGPEUAAQD-DOTOQJQBSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)C(C)(C)F)C(C)(C)C1 ZINC001328061533 935113318 /nfs/dbraw/zinc/11/33/18/935113318.db2.gz ORSWSXQOOZQSDO-UONOGXRCSA-N 1 1 298.446 3.306 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)CCC2CC2)C[C@@H]1C ZINC001328243003 935126969 /nfs/dbraw/zinc/12/69/69/935126969.db2.gz ZCIOVZLVMBOJBA-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC(CC)CC)C[C@@H]1C ZINC001328282082 935127974 /nfs/dbraw/zinc/12/79/74/935127974.db2.gz XRGGKCCYTGNICY-HOCLYGCPSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)CCCC1CC1 ZINC001328754052 935166196 /nfs/dbraw/zinc/16/61/96/935166196.db2.gz ZIAWURWCHNPNBR-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)C[C@H](C=C)CC ZINC001328754024 935166873 /nfs/dbraw/zinc/16/68/73/935166873.db2.gz YRACJDDXRLLFFQ-HZPDHXFCSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CC(C)(C)C ZINC001329387416 935212029 /nfs/dbraw/zinc/21/20/29/935212029.db2.gz XVMUYTSNSRFLFF-KBPBESRZSA-N 1 1 268.445 3.214 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCCC)C[C@H]21 ZINC001330336809 935286121 /nfs/dbraw/zinc/28/61/21/935286121.db2.gz AJOQFUZLHQMCCH-CUSZFKRNSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)CCCC(C)C)CC1 ZINC001331053355 935345945 /nfs/dbraw/zinc/34/59/45/935345945.db2.gz HRCQTRGETWQUFL-UHFFFAOYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)CCCCC)CCC[C@H]12 ZINC001332072092 935437607 /nfs/dbraw/zinc/43/76/07/935437607.db2.gz VUIKCXFEZSMUQZ-HOCLYGCPSA-N 1 1 298.858 3.432 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)CCCCC)CCC[C@H]12 ZINC001332072092 935437610 /nfs/dbraw/zinc/43/76/10/935437610.db2.gz VUIKCXFEZSMUQZ-HOCLYGCPSA-N 1 1 298.858 3.432 20 30 CGEDMO C=CCCC(=O)N[C@@]12CCC[C@H]1[N@@H+](CC1CCCC1)CC2 ZINC001332083087 935438562 /nfs/dbraw/zinc/43/85/62/935438562.db2.gz QXSIWOTWLBVKOY-SJLPKXTDSA-N 1 1 290.451 3.256 20 30 CGEDMO CC(C)C#CC(=O)N[C@@H]1CCC[N@@H+](CCC(C)(C)C)[C@H]1C ZINC001332180206 935446334 /nfs/dbraw/zinc/44/63/34/935446334.db2.gz WQSGWCZZOMSKKK-JKSUJKDBSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1CCC[N@H+](CCC)[C@@H]1C ZINC001332186462 935447093 /nfs/dbraw/zinc/44/70/93/935447093.db2.gz TWTVSSVPYIHIIU-GDBMZVCRSA-N 1 1 278.440 3.134 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C(=O)c1cc(C)co1)C(C)C ZINC001332722171 935484252 /nfs/dbraw/zinc/48/42/52/935484252.db2.gz GHUJZXASEQEBBY-UHFFFAOYSA-N 1 1 292.423 3.337 20 30 CGEDMO C=CC[N@H+](C)C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001334219003 936091302 /nfs/dbraw/zinc/09/13/02/936091302.db2.gz WSLVORZASIKDKB-MRXNPFEDSA-N 1 1 282.428 3.141 20 30 CGEDMO C=C(Cl)CN1CCC[C@H](c2cc(C(C)C)n[nH]2)C1 ZINC001335697884 936157133 /nfs/dbraw/zinc/15/71/33/936157133.db2.gz RZAUNMXSYZEHBQ-LBPRGKRZSA-N 1 1 267.804 3.465 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H](c2cc(C(C)C)n[nH]2)C1 ZINC001335697884 936157134 /nfs/dbraw/zinc/15/71/34/936157134.db2.gz RZAUNMXSYZEHBQ-LBPRGKRZSA-N 1 1 267.804 3.465 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](c2cc(C(C)C)n[nH]2)C1 ZINC001335697884 936157137 /nfs/dbraw/zinc/15/71/37/936157137.db2.gz RZAUNMXSYZEHBQ-LBPRGKRZSA-N 1 1 267.804 3.465 20 30 CGEDMO CC[N@@H+](Cc1cncc(C#N)c1)[C@H]1CCCC[C@H]1C ZINC001335885026 936165805 /nfs/dbraw/zinc/16/58/05/936165805.db2.gz PGNBGASHDSJEAV-CJNGLKHVSA-N 1 1 257.381 3.354 20 30 CGEDMO C[C@H](Nc1ccc(C#N)nc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001337108669 936236936 /nfs/dbraw/zinc/23/69/36/936236936.db2.gz OEVWAJXTKNUVSR-UONOGXRCSA-N 1 1 284.407 3.018 20 30 CGEDMO CC[N@H+]1CCC[C@@H](CN[C@H](C)c2ccc(C#N)cc2F)C1 ZINC001337505014 936265721 /nfs/dbraw/zinc/26/57/21/936265721.db2.gz YPNFHEJTSUYZPI-HIFRSBDPSA-N 1 1 289.398 3.080 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](CCSc2ccc(F)cc2)C1 ZINC001337650424 936277392 /nfs/dbraw/zinc/27/73/92/936277392.db2.gz PTIWAZCOOKMKMF-CQSZACIVSA-N 1 1 281.396 3.195 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](CCc2ccc(CC)cc2)C1 ZINC001337651052 936277734 /nfs/dbraw/zinc/27/77/34/936277734.db2.gz ULOHOIYQFDFJLX-KRWDZBQOSA-N 1 1 259.393 3.068 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1Cc2c[nH]nc2C[C@H](C)C1 ZINC001473797510 937822157 /nfs/dbraw/zinc/82/21/57/937822157.db2.gz QXPAEHKWLLWRRW-QWHCGFSZSA-N 1 1 280.375 3.037 20 30 CGEDMO C#CC[N@H+](Cc1ccc2oc(C(=O)OC)cc2c1)C(C)(C)C ZINC001473808792 937822741 /nfs/dbraw/zinc/82/27/41/937822741.db2.gz INZYQWBQCCXURF-UHFFFAOYSA-N 1 1 299.370 3.453 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCN(C)C[C@@H]1CC(C)C ZINC001473824886 937823639 /nfs/dbraw/zinc/82/36/39/937823639.db2.gz VIMXEYVUGCOLHD-SFHVURJKSA-N 1 1 299.462 3.337 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN1CC[N@@H+](C)C[C@@H]1CC(C)C ZINC001473824886 937823640 /nfs/dbraw/zinc/82/36/40/937823640.db2.gz VIMXEYVUGCOLHD-SFHVURJKSA-N 1 1 299.462 3.337 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN1CC[N@H+](C)C[C@@H]1CC(C)C ZINC001473824886 937823641 /nfs/dbraw/zinc/82/36/41/937823641.db2.gz VIMXEYVUGCOLHD-SFHVURJKSA-N 1 1 299.462 3.337 20 30 CGEDMO N#CC1(CC[N@H+]2CC[C@@H](c3ncccn3)C2)CCCCC1 ZINC001473832655 937824290 /nfs/dbraw/zinc/82/42/90/937824290.db2.gz MTCLRLJHXAYWNF-OAHLLOKOSA-N 1 1 284.407 3.130 20 30 CGEDMO C=CCCC[N@H+](CC)CC(=O)N(C)CC1CCCCC1 ZINC001473861530 937825543 /nfs/dbraw/zinc/82/55/43/937825543.db2.gz APXFVMXUZFJWAN-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C#C[C@H]1CCCC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC001473868567 937826144 /nfs/dbraw/zinc/82/61/44/937826144.db2.gz SMUADRYKQCTMTQ-INIZCTEOSA-N 1 1 266.388 3.475 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](N2CCCC2)C[C@H]1C(C)C ZINC001473877988 937826500 /nfs/dbraw/zinc/82/65/00/937826500.db2.gz YXSQDYXEGADQQB-CVEARBPZSA-N 1 1 250.430 3.147 20 30 CGEDMO N#CCC1(C[N@@H+]2CCCC[C@@H]2Cc2ccc(O)cc2)CC1 ZINC001473875349 937826740 /nfs/dbraw/zinc/82/67/40/937826740.db2.gz PAGIABOPVZUBMF-MRXNPFEDSA-N 1 1 284.403 3.483 20 30 CGEDMO C#Cc1ccc(CN[C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC001474031373 937836874 /nfs/dbraw/zinc/83/68/74/937836874.db2.gz KSEQPVKIGXGSBY-LJQANCHMSA-N 1 1 282.431 3.022 20 30 CGEDMO C#Cc1ccc(C[NH2+][C@@H]2CCN(CC3CCCC3)C2)cc1 ZINC001474031373 937836876 /nfs/dbraw/zinc/83/68/76/937836876.db2.gz KSEQPVKIGXGSBY-LJQANCHMSA-N 1 1 282.431 3.022 20 30 CGEDMO C[C@H]1C[N@H+](Cc2cc(C#N)ccc2N(C)C)CC[C@@H]1C ZINC001474370588 937855106 /nfs/dbraw/zinc/85/51/06/937855106.db2.gz XMWBMTHMYQBQKN-KBPBESRZSA-N 1 1 271.408 3.102 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(C(F)F)c(F)c1)C1CSC1 ZINC001474674621 937874592 /nfs/dbraw/zinc/87/45/92/937874592.db2.gz INKJTKKSUKOTGV-UHFFFAOYSA-N 1 1 285.334 3.314 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C(F)F)c(F)c1)C1CSC1 ZINC001474674621 937874594 /nfs/dbraw/zinc/87/45/94/937874594.db2.gz INKJTKKSUKOTGV-UHFFFAOYSA-N 1 1 285.334 3.314 20 30 CGEDMO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1nc2ccccc2o1 ZINC001474715921 937876702 /nfs/dbraw/zinc/87/67/02/937876702.db2.gz WHAVVPHHMBUXKO-NSHDSACASA-N 1 1 257.337 3.246 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC001479094500 937916225 /nfs/dbraw/zinc/91/62/25/937916225.db2.gz WVJHMYNDEGJNSE-OAHLLOKOSA-N 1 1 295.471 3.103 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)N(CCC)[C@H]1CC[N@@H+](C)C1 ZINC001479094380 937916254 /nfs/dbraw/zinc/91/62/54/937916254.db2.gz WAEFRQCWEOHOCN-HNNXBMFYSA-N 1 1 295.471 3.105 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C1(CC)CCC1 ZINC001479233783 937917887 /nfs/dbraw/zinc/91/78/87/937917887.db2.gz BQZCSXORKGVIGC-HOTGVXAUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)[C@@H]1C ZINC001479715370 937924026 /nfs/dbraw/zinc/92/40/26/937924026.db2.gz WSXJWHXOXJQXEB-KGLIPLIRSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)CCC2CCC2)[C@H]1C ZINC001479703254 937924427 /nfs/dbraw/zinc/92/44/27/937924427.db2.gz WTXISVHHHNVLQO-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)/C(C)=C/CC ZINC001479733180 937924787 /nfs/dbraw/zinc/92/47/87/937924787.db2.gz IZIOWFGENVAWSA-LRQZKABGSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)C1CC2(CC2)C1 ZINC001479737163 937924962 /nfs/dbraw/zinc/92/49/62/937924962.db2.gz BCBSBYTUZUNJTD-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C1CC(C)(C(=O)NCCC[N@H+](C)CCC(C)(C)C)C1 ZINC001479795680 937925804 /nfs/dbraw/zinc/92/58/04/937925804.db2.gz UVWVHCNEXOJAFB-UHFFFAOYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCC[N@H+](C)CCCNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001479810052 937926312 /nfs/dbraw/zinc/92/63/12/937926312.db2.gz NMIFZKHDDZPVOO-WKILWMFISA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)CCCCC)C1 ZINC001479965759 937929957 /nfs/dbraw/zinc/92/99/57/937929957.db2.gz NDRXQDOBSJAFHL-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)C2CCC(=C)CC2)C1 ZINC001479963113 937930335 /nfs/dbraw/zinc/93/03/35/937930335.db2.gz PPSOTYNXWNWNIY-RDJZCZTQSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CC2CCCC2)C1 ZINC001480072535 937931675 /nfs/dbraw/zinc/93/16/75/937931675.db2.gz QRBWAUCVUAEUJV-KRWDZBQOSA-N 1 1 292.467 3.313 20 30 CGEDMO C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)CCC)C1 ZINC001480086683 937932238 /nfs/dbraw/zinc/93/22/38/937932238.db2.gz ZSNRVEUBADHQND-MRXNPFEDSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@H](F)CC)C1 ZINC001480260331 937934877 /nfs/dbraw/zinc/93/48/77/937934877.db2.gz VOFIOZVJMLWWHY-LSDHHAIUSA-N 1 1 298.446 3.165 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C2CCCC2)C1 ZINC001480255481 937934925 /nfs/dbraw/zinc/93/49/25/937934925.db2.gz XSRIJNMTAGGRBC-OAHLLOKOSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C(=C)C)C1 ZINC001480260569 937935099 /nfs/dbraw/zinc/93/50/99/937935099.db2.gz ZKQYACJQAZKSIN-MRXNPFEDSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)CCCC2CC2)C1 ZINC001480259691 937935288 /nfs/dbraw/zinc/93/52/88/937935288.db2.gz KRKIVKYFZIJKQH-KRWDZBQOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)C[C@H](C)C2CC2)C1 ZINC001480272534 937935543 /nfs/dbraw/zinc/93/55/43/937935543.db2.gz VFANPDOZHDJMJH-GXTWGEPZSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)C[C@H](C)C2CC2)C1 ZINC001480272534 937935545 /nfs/dbraw/zinc/93/55/45/937935545.db2.gz VFANPDOZHDJMJH-GXTWGEPZSA-N 1 1 298.858 3.003 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C)C1CCCC1 ZINC001480332979 937936890 /nfs/dbraw/zinc/93/68/90/937936890.db2.gz PFTAEBYQTYAIER-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC)C1 ZINC001480371190 937937616 /nfs/dbraw/zinc/93/76/16/937937616.db2.gz AEZFQJBOZMDFBU-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC001480716662 937942530 /nfs/dbraw/zinc/94/25/30/937942530.db2.gz NDSYWNJPJSPDMV-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]([N@@H+](C)CCC2CCCC2)C1 ZINC001480723610 937942660 /nfs/dbraw/zinc/94/26/60/937942660.db2.gz WREWTIAOAWTWRF-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC1(C(=O)N2CCC[C@H]([N@@H+](C)CCCF)C2)CCC1 ZINC001480734292 937943032 /nfs/dbraw/zinc/94/30/32/937943032.db2.gz CIZQVPUQPUUJNQ-HNNXBMFYSA-N 1 1 296.430 3.015 20 30 CGEDMO C#CC[N@@H+](CC)CCNC(=O)c1cccc(C2CCCC2)c1 ZINC001493042347 937946490 /nfs/dbraw/zinc/94/64/90/937946490.db2.gz BXFURNQTUCHERK-UHFFFAOYSA-N 1 1 298.430 3.029 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C1(CCF)CC1 ZINC001493118014 937947284 /nfs/dbraw/zinc/94/72/84/937947284.db2.gz PXWAAYWRNPKLRC-LSDHHAIUSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@]1(C)CC=CCC1 ZINC001493109110 937947400 /nfs/dbraw/zinc/94/74/00/937947400.db2.gz SKZXMCNMWFFBLX-AEFFLSMTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@H+](CCNC(=O)c1cccc(C)c1Cl)C1CC1 ZINC001493428307 937950041 /nfs/dbraw/zinc/95/00/41/937950041.db2.gz STYVHZBINPFOKU-UHFFFAOYSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CC[N@@H+](CCNC(=O)C1(CC=C)CCCCC1)C1CC1 ZINC001493450401 937950455 /nfs/dbraw/zinc/95/04/55/937950455.db2.gz RXMYJWGIHLOYSY-UHFFFAOYSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(Cl)C[N@H+](CCCNC(=O)[C@@H](C)C(C)C)C(C)C ZINC001493870620 937951665 /nfs/dbraw/zinc/95/16/65/937951665.db2.gz ABUOSDSZLWCPAI-AWEZNQCLSA-N 1 1 288.863 3.248 20 30 CGEDMO CC(C)[N@H+](C/C=C/Cl)CCCNC(=O)C#CC(C)(C)C ZINC001493858300 937951747 /nfs/dbraw/zinc/95/17/47/937951747.db2.gz CXHVXKDPHWIGSA-UXBLZVDNSA-N 1 1 298.858 3.005 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccsc2C)C1 ZINC001494133008 937953305 /nfs/dbraw/zinc/95/33/05/937953305.db2.gz MTLHTFAKYOAVHO-AWEZNQCLSA-N 1 1 292.448 3.027 20 30 CGEDMO C=CCC1(C(=O)NC2C[NH+](CC3CCC3)C2)CCCCC1 ZINC001494503253 937955037 /nfs/dbraw/zinc/95/50/37/937955037.db2.gz VRYBOGLWPFLKDP-UHFFFAOYSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2F)C1 ZINC001494695317 937955635 /nfs/dbraw/zinc/95/56/35/937955635.db2.gz YITAHRGYZPYAPH-KBPBESRZSA-N 1 1 290.382 3.043 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C(C)C ZINC001494656523 937955820 /nfs/dbraw/zinc/95/58/20/937955820.db2.gz USGZBQKUJLOWGD-JYJNAYRXSA-N 1 1 292.467 3.308 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)s2)C1 ZINC001494735697 937956108 /nfs/dbraw/zinc/95/61/08/937956108.db2.gz OZMXDOBNWUUPDG-NSHDSACASA-N 1 1 298.839 3.172 20 30 CGEDMO C=CC[N@@H+](C)CCC1CCN(C(=O)C2CCCCC2)CC1 ZINC001496493226 937962770 /nfs/dbraw/zinc/96/27/70/937962770.db2.gz DUWOOZUSRAHVES-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)c1cc(C)cs1 ZINC001498272310 937968974 /nfs/dbraw/zinc/96/89/74/937968974.db2.gz JQRRNSJGVBUDDR-ZDUSSCGKSA-N 1 1 280.437 3.073 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)c1ccccc1Cl ZINC001498435834 937969458 /nfs/dbraw/zinc/96/94/58/937969458.db2.gz FSIMUOIYOLLIAV-CYBMUJFWSA-N 1 1 294.826 3.356 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1CC[N@H+]1CC1=CCCCC1 ZINC001499032709 937972260 /nfs/dbraw/zinc/97/22/60/937972260.db2.gz LIVDXPZREIGNKR-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)C1(C)CCCC1 ZINC001499030264 937972295 /nfs/dbraw/zinc/97/22/95/937972295.db2.gz MJXYALUJRIKPKU-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCC(=C)C)C1 ZINC001499482002 937973566 /nfs/dbraw/zinc/97/35/66/937973566.db2.gz SLUHXEFOJAPLQF-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCCC(=O)N1CCC([C@H]2CC[N@H+](CCC)C2)CC1 ZINC001499479527 937973580 /nfs/dbraw/zinc/97/35/80/937973580.db2.gz ZCSZHQCVHMRTNJ-KRWDZBQOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[NH+]1CC(N(C)C(=O)[C@H](CCC)CC(C)C)C1 ZINC001499804072 937974826 /nfs/dbraw/zinc/97/48/26/937974826.db2.gz CYYGGNCQISNVQU-OAHLLOKOSA-N 1 1 280.456 3.168 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@](C)(NC(=O)C(C)C)C1 ZINC001500183252 937976328 /nfs/dbraw/zinc/97/63/28/937976328.db2.gz PTGAQIFEJUJQSF-MRXNPFEDSA-N 1 1 268.445 3.193 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C)C(C)C)C1 ZINC001500529523 937977687 /nfs/dbraw/zinc/97/76/87/937977687.db2.gz HJYOHTIQLIGLAX-RDJZCZTQSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@]1(C)CCC[N@H+](CCC)C1 ZINC001500512119 937977782 /nfs/dbraw/zinc/97/77/82/937977782.db2.gz QXFITTZLSNFFGZ-QGZVFWFLSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H](C)CC ZINC001501386140 937979388 /nfs/dbraw/zinc/97/93/88/937979388.db2.gz FRECKXBNWKHFEH-BRWVUGGUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H](F)CC ZINC001501391268 937979569 /nfs/dbraw/zinc/97/95/69/937979569.db2.gz POMIEJLOSOPNAU-ARFHVFGLSA-N 1 1 296.430 3.156 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)CCC ZINC001501382275 937979628 /nfs/dbraw/zinc/97/96/28/937979628.db2.gz NIAKLOFCLVGZKY-HRCADAONSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)C1CC=CC1 ZINC001501660988 937980042 /nfs/dbraw/zinc/98/00/42/937980042.db2.gz HTFMVBRLYNGAFF-UHFFFAOYSA-N 1 1 298.430 3.277 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](C)CC(C)C)CC1 ZINC001502143333 937981602 /nfs/dbraw/zinc/98/16/02/937981602.db2.gz QNXPOBNKNBMJSQ-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@]2(CC[N@H+](CCC(C)C)C2)C1 ZINC001502541761 937982618 /nfs/dbraw/zinc/98/26/18/937982618.db2.gz RVVKRFVGFPZGSW-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)CCCC)C(C)(C)C1 ZINC001502818154 937983300 /nfs/dbraw/zinc/98/33/00/937983300.db2.gz REVPXFPFYJBDKZ-JKSUJKDBSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1CC[N@@H+](CC2CC2)CC1(C)C ZINC001502831762 937983315 /nfs/dbraw/zinc/98/33/15/937983315.db2.gz DOSNZIMKYZBCOG-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO CCCC[N@H+]1CC[C@H](NC(=O)C#CC(C)(C)C)C(C)(C)C1 ZINC001502827323 937983347 /nfs/dbraw/zinc/98/33/47/937983347.db2.gz WWERMYPILKOMLM-HNNXBMFYSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCCC2CC2)C(C)(C)C1 ZINC001502831565 937983421 /nfs/dbraw/zinc/98/34/21/937983421.db2.gz CEIKPDAOGYOKLE-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@@H+](Cc2ccsc2)[C@H](C)C1 ZINC001502907366 937983552 /nfs/dbraw/zinc/98/35/52/937983552.db2.gz VWOFMNUNRCCGLS-HIFRSBDPSA-N 1 1 292.448 3.183 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)CC)C[C@H]1C ZINC001502967106 937984087 /nfs/dbraw/zinc/98/40/87/937984087.db2.gz HDTHFUQOOKRLRG-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2(CC)CCC2)C[C@H]1C ZINC001502967019 937984113 /nfs/dbraw/zinc/98/41/13/937984113.db2.gz GVVDYSRPHZIASJ-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[C@H]2C[N@H+](C)CCC)CC1 ZINC001505444587 937985452 /nfs/dbraw/zinc/98/54/52/937985452.db2.gz DDUJTCNYKTYPCG-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[C@@H]2C[N@H+](C)CCC)CC1 ZINC001505444588 937985507 /nfs/dbraw/zinc/98/55/07/937985507.db2.gz DDUJTCNYKTYPCG-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)c1coc2ccccc12 ZINC001506069639 937989253 /nfs/dbraw/zinc/98/92/53/937989253.db2.gz SFYGPHPZRRGWGW-ZDUSSCGKSA-N 1 1 286.375 3.059 20 30 CGEDMO C=C[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CC(C)C)c1ccccc1 ZINC001506062753 937989289 /nfs/dbraw/zinc/98/92/89/937989289.db2.gz DQHVZUAXGYRNLW-NVXWUHKLSA-N 1 1 288.435 3.049 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](C)C(C)C ZINC001506577238 937990989 /nfs/dbraw/zinc/99/09/89/937990989.db2.gz YYVGVJNXOPZXOK-CVEARBPZSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)C(C)C ZINC001506577242 937991026 /nfs/dbraw/zinc/99/10/26/937991026.db2.gz YYVGVJNXOPZXOK-HZPDHXFCSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC2CCC2)CC1(C)C ZINC001506744968 937991549 /nfs/dbraw/zinc/99/15/49/937991549.db2.gz SGQBIZPYSMHORT-OAHLLOKOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)CCC2(C)CC2)CC1 ZINC001506965599 937993393 /nfs/dbraw/zinc/99/33/93/937993393.db2.gz PFSPESIAWYRWSA-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)C[C@@H](CC)C(C)C)CCC[C@H]12 ZINC001507353024 937995219 /nfs/dbraw/zinc/99/52/19/937995219.db2.gz RMXUBWBFNBEGHD-SOLBZPMBSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CCC2(C)CC2)[C@H]1C ZINC001507379284 937995492 /nfs/dbraw/zinc/99/54/92/937995492.db2.gz AWBSFYLFCNHMSB-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC1(CC(=O)N2[C@H](C)C[N@@H+](C)[C@H](C)[C@H]2C)CCCCC1 ZINC001530893122 938079996 /nfs/dbraw/zinc/07/99/96/938079996.db2.gz UDPCUOBRLZJCMV-BZUAXINKSA-N 1 1 292.467 3.453 20 30 CGEDMO CCCCCCCCC(=O)N[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001540074071 938127831 /nfs/dbraw/zinc/12/78/31/938127831.db2.gz OAMCKFUMLKPEBF-BZUAXINKSA-N 1 1 280.456 3.193 20 30 CGEDMO C[N@H+]1C[C@@H]2CC[C@@H](Nc3nc(C(C)(C)C)ccc3C#N)[C@@H]2C1 ZINC001559303758 938224996 /nfs/dbraw/zinc/22/49/96/938224996.db2.gz GGTNGFJENDFFQI-RRFJBIMHSA-N 1 1 298.434 3.003 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@H](OCC)C1CC1 ZINC001559514114 938228254 /nfs/dbraw/zinc/22/82/54/938228254.db2.gz RYEITNYWBHZGOL-KRWDZBQOSA-N 1 1 275.367 3.076 20 30 CGEDMO C=CC[C@H](C)[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC001559538161 938228800 /nfs/dbraw/zinc/22/88/00/938228800.db2.gz QNYGVCDFONKDCA-HOCLYGCPSA-N 1 1 272.392 3.078 20 30 CGEDMO CC(C)[N@@H+](CCCC#N)Cc1cnn(Cc2ccccc2)c1 ZINC001559677633 938232688 /nfs/dbraw/zinc/23/26/88/938232688.db2.gz HNGLXRGYEROOCW-UHFFFAOYSA-N 1 1 296.418 3.446 20 30 CGEDMO C=CCOCC[N@H+](C)CCOc1ccccc1C(C)(C)C ZINC001559796263 938236080 /nfs/dbraw/zinc/23/60/80/938236080.db2.gz DDNCTKVHYBGKMY-UHFFFAOYSA-N 1 1 291.435 3.497 20 30 CGEDMO CC#CC[N@@H+](C)CCc1c(Cl)cccc1Cl ZINC001559873925 938237589 /nfs/dbraw/zinc/23/75/89/938237589.db2.gz BPLNPUOBACCVPE-UHFFFAOYSA-N 1 1 256.176 3.491 20 30 CGEDMO C=C(C)CC[NH2+][C@@H](C(=O)OCC)C1CCCCCC1 ZINC001559951302 938240084 /nfs/dbraw/zinc/24/00/84/938240084.db2.gz PMPLQVQCEVJOPE-OAHLLOKOSA-N 1 1 267.413 3.444 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@@H]1[C@H](C)c1ccccc1 ZINC001560163747 938245403 /nfs/dbraw/zinc/24/54/03/938245403.db2.gz ZWPFIYLNQZXCBE-NVXWUHKLSA-N 1 1 259.393 3.457 20 30 CGEDMO C#CC[N@H+](Cc1nccn1-c1ccccc1)C(C)(C)C ZINC001560156390 938245547 /nfs/dbraw/zinc/24/55/47/938245547.db2.gz MHJYUTDGXNSRFO-UHFFFAOYSA-N 1 1 267.376 3.106 20 30 CGEDMO C#CC[N@@H+](Cc1nccn1-c1ccccc1)C(C)(C)C ZINC001560156390 938245548 /nfs/dbraw/zinc/24/55/48/938245548.db2.gz MHJYUTDGXNSRFO-UHFFFAOYSA-N 1 1 267.376 3.106 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1csnc1OC ZINC001560200326 938246730 /nfs/dbraw/zinc/24/67/30/938246730.db2.gz SYASFSCGHSLVBD-GFCCVEGCSA-N 1 1 252.383 3.082 20 30 CGEDMO C=CCCC[N@H+](CC)CCC(=O)Nc1cccc(OC)c1 ZINC001560204667 938247093 /nfs/dbraw/zinc/24/70/93/938247093.db2.gz UMXRHYVGZPESBF-UHFFFAOYSA-N 1 1 290.407 3.312 20 30 CGEDMO C=CCC[C@@H](CCC)[NH2+][C@H](CC(=C)C)C(=O)OC ZINC001560967208 938286633 /nfs/dbraw/zinc/28/66/33/938286633.db2.gz AFBMETYKLJHRCA-ZIAGYGMSSA-N 1 1 253.386 3.219 20 30 CGEDMO C=CC[C@@H]1CC[C@H]([NH2+][C@H](CCCCC)C(=O)OC)C1 ZINC001560764033 938274739 /nfs/dbraw/zinc/27/47/39/938274739.db2.gz RCDWTKDJAZINTQ-QLFBSQMISA-N 1 1 267.413 3.443 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](CC2(c3ccc4c(c3)OCO4)CC2)C1 ZINC001560947794 938285784 /nfs/dbraw/zinc/28/57/84/938285784.db2.gz HTRLDXYYBXUNHG-CQSZACIVSA-N 1 1 285.387 3.345 20 30 CGEDMO C=C(C)C[C@H]([NH2+][C@H](C)CCCCC)C(=O)OCC ZINC001560987313 938288079 /nfs/dbraw/zinc/28/80/79/938288079.db2.gz VKAJXBNHCPSXBS-KGLIPLIRSA-N 1 1 255.402 3.443 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)c1csc(C)c1C ZINC001480868803 957677431 /nfs/dbraw/zinc/67/74/31/957677431.db2.gz XJORHUQCYVEYOV-LBPRGKRZSA-N 1 1 294.464 3.381 20 30 CGEDMO CCCCCCCC(=O)N1CCC[N@@H+](CC)C[C@H]1C ZINC001161003535 958835618 /nfs/dbraw/zinc/83/56/18/958835618.db2.gz SHEKFVJWNVMXBO-OAHLLOKOSA-N 1 1 268.445 3.290 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](CNC(=O)C[C@H](CC)C(C)C)C1 ZINC001317142977 960431175 /nfs/dbraw/zinc/43/11/75/960431175.db2.gz IKFJOUZGXXCDHX-HOTGVXAUSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)C(C)(C)CC ZINC001317429745 960432291 /nfs/dbraw/zinc/43/22/91/960432291.db2.gz LFOVLFCWJQTJSZ-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)CCCC)CC1 ZINC001570175561 960454064 /nfs/dbraw/zinc/45/40/64/960454064.db2.gz XDUPBCFZHPLQFE-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)C2(CC)CCCC2)C1 ZINC001566878774 960571375 /nfs/dbraw/zinc/57/13/75/960571375.db2.gz GWMXSPINAFVBJR-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(Cl)C[N@H+](CCC)CCNC(=O)[C@H]1CC[C@H](C)C1 ZINC001567434554 960591227 /nfs/dbraw/zinc/59/12/27/960591227.db2.gz FUPTVVZIMLRWGP-JSGCOSHPSA-N 1 1 286.847 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+](CCC)CCNC(=O)[C@H]1CC[C@H](C)C1 ZINC001567434554 960591237 /nfs/dbraw/zinc/59/12/37/960591237.db2.gz FUPTVVZIMLRWGP-JSGCOSHPSA-N 1 1 286.847 3.003 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001565829163 960837783 /nfs/dbraw/zinc/83/77/83/960837783.db2.gz ZLKOCWVWXFAROH-DAYGRLMNSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001565829163 960837796 /nfs/dbraw/zinc/83/77/96/960837796.db2.gz ZLKOCWVWXFAROH-DAYGRLMNSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)[C@@H]1CC ZINC001566009061 960862670 /nfs/dbraw/zinc/86/26/70/960862670.db2.gz XTWYBBGKQDHZDG-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C(CC)CC)[C@H]1CC ZINC001566016134 960868106 /nfs/dbraw/zinc/86/81/06/960868106.db2.gz BGPGMQYXNNROJK-HYVNUMGLSA-N 1 1 292.467 3.051 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCCC)[C@H]1CC ZINC001566006741 960873096 /nfs/dbraw/zinc/87/30/96/960873096.db2.gz MUCQEZQBLZHMBG-LSDHHAIUSA-N 1 1 266.429 3.112 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)/C=C(\C)C2CC2)CC(C)(C)C1 ZINC001566128582 960887417 /nfs/dbraw/zinc/88/74/17/960887417.db2.gz WFRZJKHWNGFWOA-WSYSLRRZSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@@H+](CCF)CC(C)(C)C1 ZINC001566130734 960888439 /nfs/dbraw/zinc/88/84/39/960888439.db2.gz BYHXVZYVKNDFDB-WMLDXEAASA-N 1 1 298.446 3.165 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC12CC2 ZINC001566124407 960889279 /nfs/dbraw/zinc/88/92/79/960889279.db2.gz RYLKXNCGXMYRFS-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1C ZINC001566124509 960889851 /nfs/dbraw/zinc/88/98/51/960889851.db2.gz WAFWFHNUUAOUMW-YVSFHVDLSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)C[N@@H+](C)CCCNC(=O)c1cccc2ccccc21 ZINC001566514141 960954518 /nfs/dbraw/zinc/95/45/18/960954518.db2.gz FRYGHOFHHQUHKP-UHFFFAOYSA-N 1 1 296.414 3.468 20 30 CGEDMO C=CC[N@@H+](CC)CCCNC(=O)C(C)(C)CC(C)(C)C ZINC001566576690 960960833 /nfs/dbraw/zinc/96/08/33/960960833.db2.gz XRAWIYXLPMGICF-UHFFFAOYSA-N 1 1 282.472 3.463 20 30 CGEDMO C=CCC[N@@H+](CC)CCCNC(=O)c1cccc(C)c1C ZINC001566574444 960961834 /nfs/dbraw/zinc/96/18/34/960961834.db2.gz VEXCHNVLFNKJSL-UHFFFAOYSA-N 1 1 288.435 3.321 20 30 CGEDMO C=CC[N@@H+](CCCNC(=O)c1ccc(C=C)cc1)C1CC1 ZINC001566598950 960965117 /nfs/dbraw/zinc/96/51/17/960965117.db2.gz VWZLCVXTQCGOGZ-UHFFFAOYSA-N 1 1 284.403 3.100 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)C(C)(C)C)C1 ZINC001566625810 960976732 /nfs/dbraw/zinc/97/67/32/960976732.db2.gz PSMPCWVITWOODB-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)C(C)C)C1 ZINC001566675133 960982998 /nfs/dbraw/zinc/98/29/98/960982998.db2.gz NVTNAGNVCDXJHF-HZPDHXFCSA-N 1 1 282.472 3.439 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](C[C@@H](F)CC)C2)CCCC1 ZINC001566684872 960985184 /nfs/dbraw/zinc/98/51/84/960985184.db2.gz YBILHUIGYODFPO-LSDHHAIUSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[N@H+](C[C@@H](F)CC)C2)CCCC1 ZINC001566684872 960985205 /nfs/dbraw/zinc/98/52/05/960985205.db2.gz YBILHUIGYODFPO-LSDHHAIUSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C)C(C)(C)C)C1 ZINC001566739065 960999621 /nfs/dbraw/zinc/99/96/21/960999621.db2.gz UJPHDZYHLFJJIZ-HZPDHXFCSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)CC(C)C ZINC001566757999 961004471 /nfs/dbraw/zinc/00/44/71/961004471.db2.gz XARHCLDFVZKMIW-YESZJQIVSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)CC(C)C ZINC001566757999 961004494 /nfs/dbraw/zinc/00/44/94/961004494.db2.gz XARHCLDFVZKMIW-YESZJQIVSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)C2(CCC)CCC2)C1 ZINC001566877206 961036356 /nfs/dbraw/zinc/03/63/56/961036356.db2.gz SCOLHCVDOPNMOP-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)C[C@@H](C)CCCCC)C1 ZINC001566878151 961038234 /nfs/dbraw/zinc/03/82/34/961038234.db2.gz MYCTXGLYSXPFST-IRXDYDNUSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC001566865949 961042132 /nfs/dbraw/zinc/04/21/32/961042132.db2.gz MNWFLLMMXNBRNV-IRXDYDNUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccsc1 ZINC001566915063 961046978 /nfs/dbraw/zinc/04/69/78/961046978.db2.gz KLMMFMFROZMOHG-HNNXBMFYSA-N 1 1 292.448 3.299 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H](F)CC ZINC001566927713 961060751 /nfs/dbraw/zinc/06/07/51/961060751.db2.gz VCDVNBPUFGISPM-LSDHHAIUSA-N 1 1 298.446 3.308 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C1(CCC)CC1 ZINC001566925224 961066368 /nfs/dbraw/zinc/06/63/68/961066368.db2.gz CWROQAXNGZNZNU-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)C[C@@H]1CCCC[C@@H]1C ZINC001567322053 961273897 /nfs/dbraw/zinc/27/38/97/961273897.db2.gz PLYQBKDCNFJGQE-HOTGVXAUSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)C1C(C)(C)C1(C)C ZINC001567329303 961275571 /nfs/dbraw/zinc/27/55/71/961275571.db2.gz BFKXVCMRVBRZRQ-UHFFFAOYSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCC[N@@H+](C)Cc1ccccc1C ZINC001567301845 961281747 /nfs/dbraw/zinc/28/17/47/961281747.db2.gz KESPCYLJGPFMBG-GOSISDBHSA-N 1 1 288.435 3.145 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](CCC)CC(C)C ZINC001567386594 961312760 /nfs/dbraw/zinc/31/27/60/961312760.db2.gz JPTPHVNQOQNQQC-SJORKVTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](F)CC1CCCCC1 ZINC001567383580 961314812 /nfs/dbraw/zinc/31/48/12/961314812.db2.gz UYMMAXNRDUICHT-HZPDHXFCSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](CNC(=O)C2(C)CC(=C)C2)C1 ZINC001567410107 961324332 /nfs/dbraw/zinc/32/43/32/961324332.db2.gz VKNWVZVDYDVOQM-HZPDHXFCSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](CNC(=O)C2(C)CCC2)C1 ZINC001567408293 961324455 /nfs/dbraw/zinc/32/44/55/961324455.db2.gz XENKXWMSHCDGIV-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CCCCC1 ZINC001567391467 961326844 /nfs/dbraw/zinc/32/68/44/961326844.db2.gz PMHFOBKFOUHTLQ-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)[C@H](C)C1CCCC1)C(C)C ZINC001567651211 961378105 /nfs/dbraw/zinc/37/81/05/961378105.db2.gz GNWKRYSNMOOCAW-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(CCC)C(=O)CC2(C)CC2)C1 ZINC001567685283 961393756 /nfs/dbraw/zinc/39/37/56/961393756.db2.gz BYJOEXSVGYFJKL-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)/C=C\C(C)(C)C)C1 ZINC001567761497 961426788 /nfs/dbraw/zinc/42/67/88/961426788.db2.gz YXQPQSYPVHDWCS-JQPIKURYSA-N 1 1 278.440 3.136 20 30 CGEDMO CC#CCCCC(=O)N[C@@H]1CC[N@@H+](C[C@@H](C)CC(C)C)C1 ZINC001567895353 961452360 /nfs/dbraw/zinc/45/23/60/961452360.db2.gz SPODHMHWNSUPRW-DLBZAZTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[N@H+]([C@@H](CC)c2ccccc2)C1 ZINC001567887513 961454947 /nfs/dbraw/zinc/45/49/47/961454947.db2.gz DINQVEYHWVPAOS-SJORKVTESA-N 1 1 286.419 3.294 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)CC(C)(C)C2CC2)C1 ZINC001567911312 961455717 /nfs/dbraw/zinc/45/57/17/961455717.db2.gz NLQQHQZCHZWLSW-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](F)CC2CCCCC2)C1 ZINC001567924968 961459512 /nfs/dbraw/zinc/45/95/12/961459512.db2.gz IHRYTPZJPSFNFN-HZPDHXFCSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H](C)C2CCC2)C1 ZINC001567939800 961459561 /nfs/dbraw/zinc/45/95/61/961459561.db2.gz XCLYYOCLTNHJIA-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CC2(C)CC2)C1 ZINC001567916865 961459597 /nfs/dbraw/zinc/45/95/97/961459597.db2.gz AMLLZHHCZCGTLA-HUUCEWRRSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)C[C@H](C)CC)C1 ZINC001567935783 961468119 /nfs/dbraw/zinc/46/81/19/961468119.db2.gz KHQNTXCGGZNVDO-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC2(C1)CCN(C(=O)CC)CC2 ZINC001568153562 961505517 /nfs/dbraw/zinc/50/55/17/961505517.db2.gz BAOFDDKUMXUBHM-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCC12CC2 ZINC001568486788 961592203 /nfs/dbraw/zinc/59/22/03/961592203.db2.gz HFYIWTSJGPNDBC-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@@]1(C)C(C)C ZINC001568500303 961595589 /nfs/dbraw/zinc/59/55/89/961595589.db2.gz IVZXWXXFHXUVNG-RDJZCZTQSA-N 1 1 280.456 3.025 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]2[C@H](CC[N@H+]2Cc2ccccc2)C1 ZINC001568509370 961602208 /nfs/dbraw/zinc/60/22/08/961602208.db2.gz SHDJEGYHCNTZRK-MSOLQXFVSA-N 1 1 298.430 3.076 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)C1(C)CC(=C)C1 ZINC001569137659 961696781 /nfs/dbraw/zinc/69/67/81/961696781.db2.gz GKAMKELAUNHKSB-LSDHHAIUSA-N 1 1 278.440 3.134 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001569129973 961700989 /nfs/dbraw/zinc/70/09/89/961700989.db2.gz KCILUTOGXSEUSS-NXOAAHMSSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@@H]1CC[N@H+]1CC1CCCCC1 ZINC001569369639 961755294 /nfs/dbraw/zinc/75/52/94/961755294.db2.gz IWFZBSWCNOTJJK-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)CC(C)C ZINC001569448894 961766864 /nfs/dbraw/zinc/76/68/64/961766864.db2.gz LSNSQJCNJDBFRU-ZACQAIPSSA-N 1 1 292.467 3.310 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001569651604 961807912 /nfs/dbraw/zinc/80/79/12/961807912.db2.gz SWKSPVMVHXYMOI-MAUKXSAKSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)/C=C(\C)C2CC2)C1 ZINC001569710405 961829246 /nfs/dbraw/zinc/82/92/46/961829246.db2.gz SEZWLWKJNOWLDC-KAPURRDVSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CCC[N@H+](CC=C(C)C)CC1 ZINC001570181186 961916684 /nfs/dbraw/zinc/91/66/84/961916684.db2.gz DVAZGCLBCIQOKB-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C#CCCCCC(=O)N[C@@H]1CCC[N@H+](CCCC=C)CC1 ZINC001570175078 961918733 /nfs/dbraw/zinc/91/87/33/961918733.db2.gz OPVNWJUVTMAJJA-QGZVFWFLSA-N 1 1 290.451 3.117 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)/C=C(\C)C1CC1 ZINC001570192369 961924472 /nfs/dbraw/zinc/92/44/72/961924472.db2.gz FQJGNONCNMQVIR-FYWRMAATSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@]2(CC[N@H+](CCCF)C2)C1 ZINC001570275093 961946063 /nfs/dbraw/zinc/94/60/63/961946063.db2.gz PCNNTHMRNXRCIH-KRWDZBQOSA-N 1 1 296.430 3.017 20 30 CGEDMO C=CC[N@H+](CC)CC1CCN(C(=O)CC(C)(C)C=C)CC1 ZINC001570501890 961977021 /nfs/dbraw/zinc/97/70/21/961977021.db2.gz XMQYYQXAVOHRRD-UHFFFAOYSA-N 1 1 292.467 3.335 20 30 CGEDMO C#CCCCCC(=O)N1CCC(C[N@H+](CC)C(C)C)CC1 ZINC001570499786 961977810 /nfs/dbraw/zinc/97/78/10/961977810.db2.gz DGHDOJDKYRJZLE-UHFFFAOYSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)/C=C\C(C)(C)C ZINC001570526388 961983715 /nfs/dbraw/zinc/98/37/15/961983715.db2.gz SPIPCBUAULXUSO-YUQCYMQKSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)/C(C)=C\CC ZINC001570525940 961991787 /nfs/dbraw/zinc/99/17/87/961991787.db2.gz LALPDUXCDPUUTP-VDBIKXPHSA-N 1 1 284.831 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)/C(C)=C\CC ZINC001570525940 961991800 /nfs/dbraw/zinc/99/18/00/961991800.db2.gz LALPDUXCDPUUTP-VDBIKXPHSA-N 1 1 284.831 3.018 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](C=C)c1ccccc1 ZINC001570547538 961999669 /nfs/dbraw/zinc/99/96/69/961999669.db2.gz FDWQDKDMYPGMDC-QZTJIDSGSA-N 1 1 298.430 3.065 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@H](C)[N@H+](C)C[C@@H](C)CC ZINC001570714473 962058359 /nfs/dbraw/zinc/05/83/59/962058359.db2.gz PRZOEIKZUWSYHK-KBPBESRZSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)CC1CC(C)(C)C1 ZINC001570730184 962060590 /nfs/dbraw/zinc/06/05/90/962060590.db2.gz LCFXQGWMPJEMBC-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC1(C(=O)NC[C@H](C)[N@H+](C)CCCC)CCCC1 ZINC001570755436 962074953 /nfs/dbraw/zinc/07/49/53/962074953.db2.gz PWYCZDBNBAVPIK-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)c1ccc(CF)cc1 ZINC001570753616 962076029 /nfs/dbraw/zinc/07/60/29/962076029.db2.gz MVZZGQLNYKNAKI-CQSZACIVSA-N 1 1 292.398 3.172 20 30 CGEDMO C=CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)C1CC(C)C1 ZINC001570818226 962096012 /nfs/dbraw/zinc/09/60/12/962096012.db2.gz NZAWWWWMXLPCPV-JCYILVPMSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC([N@H+](C)C[C@H](F)CC)CC1 ZINC001571333300 962134462 /nfs/dbraw/zinc/13/44/62/962134462.db2.gz LRHRJVCZTPMORN-HUUCEWRRSA-N 1 1 298.446 3.260 20 30 CGEDMO C=C(C)CC[N@H+](C)C1CCN(C(=O)C(C)(C)C(=C)C)CC1 ZINC001571332846 962134844 /nfs/dbraw/zinc/13/48/44/962134844.db2.gz VFLOTFNTFOIJPF-UHFFFAOYSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCCC(=O)N[C@]12CCC[C@@H]1[N@@H+](CC/C=C/CC)CC2 ZINC001571497574 962165947 /nfs/dbraw/zinc/16/59/47/962165947.db2.gz SBYVRMZHILWFEW-LVPXMUDFSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)CCC(C)C)[C@@H]1C ZINC001571515541 962174443 /nfs/dbraw/zinc/17/44/43/962174443.db2.gz TWSOXBMUWUVZFA-HOTGVXAUSA-N 1 1 280.456 3.358 20 30 CGEDMO CC#CC[N@@H+](C)CCN(C(=O)[C@@H](C)C1CCCC1)C(C)C ZINC001571615692 962198191 /nfs/dbraw/zinc/19/81/91/962198191.db2.gz AFZTUJKZXFRMBC-INIZCTEOSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)CC2(C)CC2)CC1 ZINC001571691471 962216247 /nfs/dbraw/zinc/21/62/47/962216247.db2.gz MIOCERQKFIFYEN-HNNXBMFYSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H](C)C(CC)CC)CC1 ZINC001571690011 962216920 /nfs/dbraw/zinc/21/69/20/962216920.db2.gz NHNAAXFNWKIDMV-HNNXBMFYSA-N 1 1 292.467 3.383 20 30 CGEDMO C#CCCCCCCN1CCC([NH2+]CC2CC2)CC1 ZINC001574546180 962314567 /nfs/dbraw/zinc/31/45/67/962314567.db2.gz ZSTQPPDUGKTYHA-UHFFFAOYSA-N 1 1 262.441 3.034 20 30 CGEDMO C=C(C)CCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001584323769 962915193 /nfs/dbraw/zinc/91/51/93/962915193.db2.gz ZAWOCELJDUWLIO-MSOLQXFVSA-N 1 1 298.430 3.076 20 30 CGEDMO C=CC(C)(C)CC(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC001584827887 962962308 /nfs/dbraw/zinc/96/23/08/962962308.db2.gz PIKUEJPROXFERH-UHFFFAOYSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CCCC[N@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000273040619 192028141 /nfs/dbraw/zinc/02/81/41/192028141.db2.gz WRRGBTZFZQDITA-HNNXBMFYSA-N 1 1 297.320 3.492 20 30 CGEDMO C=CCC[C@H](O)C[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000621403963 349521334 /nfs/dbraw/zinc/52/13/34/349521334.db2.gz DPXOZNTZYXPIBY-QWHCGFSZSA-N 1 1 261.356 3.117 20 30 CGEDMO C=CC[N@H+](Cc1ccnn1CCc1ccccc1)C1CC1 ZINC000621721923 349565768 /nfs/dbraw/zinc/56/57/68/349565768.db2.gz DYABDDXEKWRWES-UHFFFAOYSA-N 1 1 281.403 3.276 20 30 CGEDMO C=CC[N@@H+](Cc1ccnn1CCc1ccccc1)C1CC1 ZINC000621721923 349565772 /nfs/dbraw/zinc/56/57/72/349565772.db2.gz DYABDDXEKWRWES-UHFFFAOYSA-N 1 1 281.403 3.276 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccnn1CCc1ccccc1 ZINC000621724835 349566693 /nfs/dbraw/zinc/56/66/93/349566693.db2.gz VDQMQXWFAJIMDJ-UHFFFAOYSA-N 1 1 269.392 3.134 20 30 CGEDMO C[C@@H]1CN(Cc2ccc(C(C)(C)C#N)cc2)C[C@H](C)[N@@H+]1C ZINC000590199861 346836598 /nfs/dbraw/zinc/83/65/98/346836598.db2.gz XXZMCXTZASKHDK-GASCZTMLSA-N 1 1 285.435 3.012 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@H](C)N1C ZINC000590199861 346836600 /nfs/dbraw/zinc/83/66/00/346836600.db2.gz XXZMCXTZASKHDK-GASCZTMLSA-N 1 1 285.435 3.012 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@H](C)N1C ZINC000590199861 346836603 /nfs/dbraw/zinc/83/66/03/346836603.db2.gz XXZMCXTZASKHDK-GASCZTMLSA-N 1 1 285.435 3.012 20 30 CGEDMO CC[C@H](CO)[N@@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000411772730 529382944 /nfs/dbraw/zinc/38/29/44/529382944.db2.gz KEPHRFKTEIMQIH-GOSISDBHSA-N 1 1 294.398 3.428 20 30 CGEDMO CC(C)CC[C@@H]1CCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000486783622 534924782 /nfs/dbraw/zinc/92/47/82/534924782.db2.gz ZKTLKACLFBQERK-KRWDZBQOSA-N 1 1 299.418 3.397 20 30 CGEDMO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ncn(-c3ccccc3)n2)C1 ZINC000651817486 398292445 /nfs/dbraw/zinc/29/24/45/398292445.db2.gz NIOZSRMDQWKGPL-HUUCEWRRSA-N 1 1 282.391 3.102 20 30 CGEDMO CC[C@H](NC[C@@H](C)[NH+](CC)CC)c1ccc(C#N)cc1 ZINC000359029579 529610893 /nfs/dbraw/zinc/61/08/93/529610893.db2.gz MCRUDSNBOWQGTF-PBHICJAKSA-N 1 1 273.424 3.329 20 30 CGEDMO C=C(CC)C[N@H+]1CCc2nccc(Br)c2C1 ZINC000623286707 349775787 /nfs/dbraw/zinc/77/57/87/349775787.db2.gz AAEWRGZAFZWAMR-UHFFFAOYSA-N 1 1 281.197 3.168 20 30 CGEDMO C[C@@H](c1cccnc1)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000127860826 187336959 /nfs/dbraw/zinc/33/69/59/187336959.db2.gz QXEFNAGKKMDDAZ-AWEZNQCLSA-N 1 1 281.359 3.025 20 30 CGEDMO Cc1nc(C)c(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)o1 ZINC000591852985 346942918 /nfs/dbraw/zinc/94/29/18/346942918.db2.gz OSNVZUJHIKLPPI-LBPRGKRZSA-N 1 1 269.348 3.356 20 30 CGEDMO Cc1nc(C)c(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)o1 ZINC000591852985 346942923 /nfs/dbraw/zinc/94/29/23/346942923.db2.gz OSNVZUJHIKLPPI-LBPRGKRZSA-N 1 1 269.348 3.356 20 30 CGEDMO C[C@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000295066327 199327559 /nfs/dbraw/zinc/32/75/59/199327559.db2.gz QQJNAEXPCQGLKT-CMPLNLGQSA-N 1 1 285.313 3.060 20 30 CGEDMO N#Cc1cnccc1C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000592063847 346957974 /nfs/dbraw/zinc/95/79/74/346957974.db2.gz KINCBVBOZVYXGZ-GOSISDBHSA-N 1 1 295.361 3.299 20 30 CGEDMO CC1CCC([N@@H+](Cc2ccncc2C#N)C2CC2)CC1 ZINC000592061065 346958102 /nfs/dbraw/zinc/95/81/02/346958102.db2.gz QSYGYPZXBPJPDR-UHFFFAOYSA-N 1 1 269.392 3.496 20 30 CGEDMO C=CC(C)(C)CC[NH2+]Cc1cn(-c2ccncc2)nc1C ZINC000623592979 349843547 /nfs/dbraw/zinc/84/35/47/349843547.db2.gz MWOTXLFYCJEKRJ-UHFFFAOYSA-N 1 1 284.407 3.268 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccncc2C#N)[C@H]2CCCC[C@H]12 ZINC000592059339 346958370 /nfs/dbraw/zinc/95/83/70/346958370.db2.gz IPOJWMKDXXOOEV-XYPHTWIQSA-N 1 1 269.392 3.354 20 30 CGEDMO C[N@H+](CCCCc1ccccc1)Cc1ccncc1C#N ZINC000592060741 346958600 /nfs/dbraw/zinc/95/86/00/346958600.db2.gz XYQDWZSNFKWKPQ-UHFFFAOYSA-N 1 1 279.387 3.408 20 30 CGEDMO C[N@@H+](CCCCc1ccccc1)Cc1ccncc1C#N ZINC000592060741 346958604 /nfs/dbraw/zinc/95/86/04/346958604.db2.gz XYQDWZSNFKWKPQ-UHFFFAOYSA-N 1 1 279.387 3.408 20 30 CGEDMO C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592150908 346967121 /nfs/dbraw/zinc/96/71/21/346967121.db2.gz JIUDGVDPEVSEOT-RDTXWAMCSA-N 1 1 280.371 3.251 20 30 CGEDMO CCC(C)(C)c1ccc(C[N@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592153704 346967611 /nfs/dbraw/zinc/96/76/11/346967611.db2.gz NYGGPJTVJNRYNF-SFHVURJKSA-N 1 1 286.419 3.225 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCC[C@@H]1CCOC1 ZINC000592126529 346964982 /nfs/dbraw/zinc/96/49/82/346964982.db2.gz WWRFBYZFMPDWTD-LSDHHAIUSA-N 1 1 272.392 3.368 20 30 CGEDMO CC(C)c1noc([C@H](C)[NH+]2CCC(CCC#N)CC2)n1 ZINC000592136090 346966353 /nfs/dbraw/zinc/96/63/53/346966353.db2.gz MHBSWGQLEKNFCC-LBPRGKRZSA-N 1 1 276.384 3.270 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCC(C)(C)C#N)CC2(CCCC2)O1 ZINC000592195171 346971391 /nfs/dbraw/zinc/97/13/91/346971391.db2.gz RCUDRKLOLTVLRP-CQSZACIVSA-N 1 1 264.413 3.350 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](CC)CCSC)cc1OC ZINC000592529344 346997335 /nfs/dbraw/zinc/99/73/35/346997335.db2.gz KRTJDFPHJWBQLF-UHFFFAOYSA-N 1 1 295.448 3.445 20 30 CGEDMO Cc1cncc(CC[N@@H+](Cc2ccc(C#N)cc2)C(C)C)n1 ZINC000593003039 347026478 /nfs/dbraw/zinc/02/64/78/347026478.db2.gz QVPMIPZNTVNFGL-UHFFFAOYSA-N 1 1 294.402 3.110 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000593035452 347030276 /nfs/dbraw/zinc/03/02/76/347030276.db2.gz MHCOMMWBKUCWFW-AWEZNQCLSA-N 1 1 285.347 3.088 20 30 CGEDMO COc1ccc(C[C@H]2CCCC[N@H+]2CCCC#N)cc1 ZINC000593084834 347037366 /nfs/dbraw/zinc/03/73/66/347037366.db2.gz SJYMOHHCHJHOPE-MRXNPFEDSA-N 1 1 272.392 3.396 20 30 CGEDMO COc1ccc(C[C@@H]2CCCC[N@H+]2CC2(C#N)CC2)cc1 ZINC000593084912 347037556 /nfs/dbraw/zinc/03/75/56/347037556.db2.gz UDWBMARWBOVGPQ-INIZCTEOSA-N 1 1 284.403 3.396 20 30 CGEDMO CC(C)(C)OC(=O)C[C@H]1CCCC[N@H+]1CCCCC#N ZINC000593089522 347038362 /nfs/dbraw/zinc/03/83/62/347038362.db2.gz ATVJJBTVEOOLFS-CQSZACIVSA-N 1 1 280.412 3.267 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CC(=O)OC(C)(C)C ZINC000593093316 347038746 /nfs/dbraw/zinc/03/87/46/347038746.db2.gz UAOGNAMTARBKRG-ZDUSSCGKSA-N 1 1 253.386 3.149 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1Cl)C[C@H]1CCCC[C@H]1O ZINC000439426974 529983920 /nfs/dbraw/zinc/98/39/20/529983920.db2.gz WNJFYGMBISYAPE-GDBMZVCRSA-N 1 1 292.810 3.195 20 30 CGEDMO C[NH2+]Cc1ccccc1CN[C@@H](C)c1ccc(C#N)cc1F ZINC000593321296 347063181 /nfs/dbraw/zinc/06/31/81/347063181.db2.gz HSZYCIPIANHXDC-ZDUSSCGKSA-N 1 1 297.377 3.268 20 30 CGEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)cc1OC ZINC000015297998 344883609 /nfs/dbraw/zinc/88/36/09/344883609.db2.gz CHNLBFXYSSTUTE-UHFFFAOYSA-N 1 1 296.370 3.207 20 30 CGEDMO CC[C@H](C)[N@@H+](CC)CCC(=O)Nc1cccc(C#N)c1 ZINC000037113070 344947570 /nfs/dbraw/zinc/94/75/70/344947570.db2.gz MKFCQZALERXPNT-ZDUSSCGKSA-N 1 1 273.380 3.007 20 30 CGEDMO C=C(C)C[N@H+](Cc1cc(OC)ccc1OC)C1CC1 ZINC000045838194 345030698 /nfs/dbraw/zinc/03/06/98/345030698.db2.gz PWORNMNQQASUHH-UHFFFAOYSA-N 1 1 261.365 3.244 20 30 CGEDMO COCC[N@@H+](Cc1cc(C#N)ccc1F)C1CCCC1 ZINC000046600720 345041508 /nfs/dbraw/zinc/04/15/08/345041508.db2.gz QCPOAUTYWWRWTH-UHFFFAOYSA-N 1 1 276.355 3.088 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000050274315 345079404 /nfs/dbraw/zinc/07/94/04/345079404.db2.gz SLFBTTUPAMMXFM-OAHLLOKOSA-N 1 1 261.365 3.417 20 30 CGEDMO N#CC1CC[NH+](CC(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000057907687 345190383 /nfs/dbraw/zinc/19/03/83/345190383.db2.gz UBOHVGBEQWFZKQ-UHFFFAOYSA-N 1 1 286.419 3.007 20 30 CGEDMO CC(C)CCOc1ccc(C[NH2+]C[C@H](C)C#N)cc1 ZINC000054180389 345130054 /nfs/dbraw/zinc/13/00/54/345130054.db2.gz PISRFRCVPASQFX-CQSZACIVSA-N 1 1 260.381 3.361 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000054993390 345141940 /nfs/dbraw/zinc/14/19/40/345141940.db2.gz VDFJKBSMUCEKJB-KRWDZBQOSA-N 1 1 286.419 3.248 20 30 CGEDMO C[N@@H+](CCOc1ccccc1C#N)CCc1ccc(F)cc1 ZINC000055025942 345141984 /nfs/dbraw/zinc/14/19/84/345141984.db2.gz YHJKLQZEJCCBBK-UHFFFAOYSA-N 1 1 298.361 3.251 20 30 CGEDMO N#Cc1ccc(C[N@@H+](Cc2ccco2)C[C@H]2CCCO2)cc1 ZINC000060039535 345210188 /nfs/dbraw/zinc/21/01/88/345210188.db2.gz PLJIYYMANJIAEY-GOSISDBHSA-N 1 1 296.370 3.332 20 30 CGEDMO N#Cc1ccc(C[N@H+](Cc2ccco2)C[C@H]2CCCO2)cc1 ZINC000060039535 345210190 /nfs/dbraw/zinc/21/01/90/345210190.db2.gz PLJIYYMANJIAEY-GOSISDBHSA-N 1 1 296.370 3.332 20 30 CGEDMO C=CC[N@H+](CCOC(C)(C)C)Cc1ccc(OC)cc1 ZINC000065951101 345281047 /nfs/dbraw/zinc/28/10/47/345281047.db2.gz RSLQXRSUFOGAFP-UHFFFAOYSA-N 1 1 277.408 3.498 20 30 CGEDMO Cc1cc(C)n(-c2ccc(C[N@@H+](C)C[C@@H](C)C#N)cc2)n1 ZINC000066468958 345296123 /nfs/dbraw/zinc/29/61/23/345296123.db2.gz JNJMUUJHWQVTKU-ZDUSSCGKSA-N 1 1 282.391 3.081 20 30 CGEDMO Cc1cc(C)n(-c2ccc(C[N@H+](C)C[C@@H](C)C#N)cc2)n1 ZINC000066468958 345296127 /nfs/dbraw/zinc/29/61/27/345296127.db2.gz JNJMUUJHWQVTKU-ZDUSSCGKSA-N 1 1 282.391 3.081 20 30 CGEDMO C[C@@H](CC#N)[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000068608803 345357043 /nfs/dbraw/zinc/35/70/43/345357043.db2.gz PWRIAVYSAPYGDR-AWEZNQCLSA-N 1 1 281.359 3.052 20 30 CGEDMO C[C@@H](CC#N)[NH2+]CCSc1ccc(Cl)cc1 ZINC000068608014 345357080 /nfs/dbraw/zinc/35/70/80/345357080.db2.gz QUXWMXVTAZAKEZ-JTQLQIEISA-N 1 1 254.786 3.324 20 30 CGEDMO C=CC[N@H+](CCn1nc(C)cc1C)Cc1ccccc1 ZINC000068805946 345364278 /nfs/dbraw/zinc/36/42/78/345364278.db2.gz AYSWHTYLJGDZPT-UHFFFAOYSA-N 1 1 269.392 3.188 20 30 CGEDMO CN1CC[N@@H+](Cc2ccc(C#N)cc2)Cc2ccccc21 ZINC000069091033 345372666 /nfs/dbraw/zinc/37/26/66/345372666.db2.gz ZNKYBMAVVQSMEQ-UHFFFAOYSA-N 1 1 277.371 3.010 20 30 CGEDMO CCC[N@@H+](CCCCC#N)C[C@H]1COc2ccccc2O1 ZINC000071016577 345400706 /nfs/dbraw/zinc/40/07/06/345400706.db2.gz WTSCEOFLFBJTOE-HNNXBMFYSA-N 1 1 288.391 3.232 20 30 CGEDMO CCC[C@H](C)[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075622787 345515612 /nfs/dbraw/zinc/51/56/12/345515612.db2.gz WRWBWWHZKAJCDN-LBPRGKRZSA-N 1 1 284.363 3.229 20 30 CGEDMO N#Cc1cc(F)ccc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000078295224 345599011 /nfs/dbraw/zinc/59/90/11/345599011.db2.gz RXMRWGPWCRYUSN-UHFFFAOYSA-N 1 1 287.382 3.152 20 30 CGEDMO Cc1cc(C)c(C#N)c(N2CCC[N@H+](C3CCCC3)CC2)n1 ZINC000077994955 345588054 /nfs/dbraw/zinc/58/80/54/345588054.db2.gz IKHJMEURFBTYKZ-UHFFFAOYSA-N 1 1 298.434 3.025 20 30 CGEDMO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1CCCCC#N ZINC000084116656 345729824 /nfs/dbraw/zinc/72/98/24/345729824.db2.gz SRNWJYRGPRKRCE-MRXNPFEDSA-N 1 1 282.391 3.404 20 30 CGEDMO CCC[N@H+]1CC[C@@H](CNc2ccc(Cl)cc2C#N)C1 ZINC000091457626 345815070 /nfs/dbraw/zinc/81/50/70/345815070.db2.gz KJCXBZOODUHLON-LBPRGKRZSA-N 1 1 277.799 3.355 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000091510328 345817805 /nfs/dbraw/zinc/81/78/05/345817805.db2.gz YUWVRGFMDKTLCK-HOTGVXAUSA-N 1 1 280.456 3.215 20 30 CGEDMO C[C@H](O)[C@@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000089931597 345776473 /nfs/dbraw/zinc/77/64/73/345776473.db2.gz MVTCVMREZCQSNC-LSDHHAIUSA-N 1 1 286.419 3.081 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CC[C@@H](C)C1 ZINC000092902998 345862037 /nfs/dbraw/zinc/86/20/37/345862037.db2.gz AKOCDTLKFWJJRS-RHSMWYFYSA-N 1 1 272.392 3.195 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000121127537 346000777 /nfs/dbraw/zinc/00/07/77/346000777.db2.gz HPJJFNXFOZOEDO-CYBMUJFWSA-N 1 1 294.826 3.415 20 30 CGEDMO CCCCCCCCC(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000141728680 346109157 /nfs/dbraw/zinc/10/91/57/346109157.db2.gz MEOPBMOJWNJFFF-MRXNPFEDSA-N 1 1 280.456 3.434 20 30 CGEDMO CCCCCCCC(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000141729321 346109289 /nfs/dbraw/zinc/10/92/89/346109289.db2.gz HYWCMFDCNIPKKK-HNNXBMFYSA-N 1 1 266.429 3.044 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000190630590 346264797 /nfs/dbraw/zinc/26/47/97/346264797.db2.gz DNXKTCKVAPNCPT-SOLBZPMBSA-N 1 1 294.483 3.463 20 30 CGEDMO N#Cc1ncccc1N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309581793 346469457 /nfs/dbraw/zinc/46/94/57/346469457.db2.gz LHNAZTRKLOGDEJ-INIZCTEOSA-N 1 1 292.386 3.030 20 30 CGEDMO Cc1cc(C#N)ccc1Cn1c[nH+]c2c1C[C@@H](C)[C@H](C)C2 ZINC000315676129 346484276 /nfs/dbraw/zinc/48/42/76/346484276.db2.gz ZMTXYFXTMPMLPL-CHWSQXEVSA-N 1 1 279.387 3.482 20 30 CGEDMO COc1ccc(C)cc1C[NH2+]CC1(C#N)CCCC1 ZINC000593650755 347099408 /nfs/dbraw/zinc/09/94/08/347099408.db2.gz ZSCCDQAYUOTMKB-UHFFFAOYSA-N 1 1 258.365 3.177 20 30 CGEDMO C[C@H]1CCN(CC2(CC#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000383107803 346561918 /nfs/dbraw/zinc/56/19/18/346561918.db2.gz KVDMHJVZYCHQFC-KRWDZBQOSA-N 1 1 297.446 3.277 20 30 CGEDMO C[C@H]1CC[N@H+](CC2(CC#N)CC2)CCN1Cc1ccccc1 ZINC000383107803 346561921 /nfs/dbraw/zinc/56/19/21/346561921.db2.gz KVDMHJVZYCHQFC-KRWDZBQOSA-N 1 1 297.446 3.277 20 30 CGEDMO C[C@H]1CC[N@@H+](CC2(CC#N)CC2)CCN1Cc1ccccc1 ZINC000383107803 346561925 /nfs/dbraw/zinc/56/19/25/346561925.db2.gz KVDMHJVZYCHQFC-KRWDZBQOSA-N 1 1 297.446 3.277 20 30 CGEDMO Cc1cc(C[NH2+][C@@H](C)CC#N)ccc1Br ZINC000389660890 346572985 /nfs/dbraw/zinc/57/29/85/346572985.db2.gz HCIFRKIYHVOAHO-JTQLQIEISA-N 1 1 267.170 3.149 20 30 CGEDMO CC(C)[N@@H+](C)CC1CCN(C(=O)CCCCCC#N)CC1 ZINC000588304657 346759029 /nfs/dbraw/zinc/75/90/29/346759029.db2.gz PPORASCVZYJIJM-UHFFFAOYSA-N 1 1 293.455 3.039 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1 ZINC000589199954 346789717 /nfs/dbraw/zinc/78/97/17/346789717.db2.gz ODRQJSWMKSGJRT-KGLIPLIRSA-N 1 1 290.432 3.258 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000589272752 346791944 /nfs/dbraw/zinc/79/19/44/346791944.db2.gz URZSIRGRLYUPOC-IAGOWNOFSA-N 1 1 284.403 3.256 20 30 CGEDMO C[C@H]1COCCC[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000589502016 346798708 /nfs/dbraw/zinc/79/87/08/346798708.db2.gz BHFMRJUVZSBWCG-NSHDSACASA-N 1 1 298.308 3.188 20 30 CGEDMO C[C@H]1COCCC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000589502016 346798709 /nfs/dbraw/zinc/79/87/09/346798709.db2.gz BHFMRJUVZSBWCG-NSHDSACASA-N 1 1 298.308 3.188 20 30 CGEDMO N#Cc1cc(F)ccc1N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594604381 347200891 /nfs/dbraw/zinc/20/08/91/347200891.db2.gz YUPRPVOUQRQHQI-CVEARBPZSA-N 1 1 273.355 3.126 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@H](F)C2)cc1 ZINC000594606548 347201614 /nfs/dbraw/zinc/20/16/14/347201614.db2.gz LQFJEWVXEFDZKD-OAHLLOKOSA-N 1 1 260.356 3.422 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@H]2C2CC2)cc1 ZINC000594608754 347201818 /nfs/dbraw/zinc/20/18/18/347201818.db2.gz AUMMJXKVRVAIOA-INIZCTEOSA-N 1 1 254.377 3.472 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@H+](C[C@H]1CCOc3ccccc31)C2 ZINC000594613616 347203915 /nfs/dbraw/zinc/20/39/15/347203915.db2.gz PTGZQFHSKCJFDC-MRXNPFEDSA-N 1 1 290.366 3.440 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594613980 347204082 /nfs/dbraw/zinc/20/40/82/347204082.db2.gz XLNDEGZZPHMJIX-UHFFFAOYSA-N 1 1 255.365 3.127 20 30 CGEDMO CCc1nnc([C@H](C)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)[nH]1 ZINC000594500512 347180279 /nfs/dbraw/zinc/18/02/79/347180279.db2.gz NOIKOYVGCZLDSM-LBPRGKRZSA-N 1 1 297.406 3.019 20 30 CGEDMO N#CC1(C[NH2+]Cc2[nH]nc3ccccc32)CCCCC1 ZINC000594981435 347248513 /nfs/dbraw/zinc/24/85/13/347248513.db2.gz PNZWULNZGUOSGH-UHFFFAOYSA-N 1 1 268.364 3.127 20 30 CGEDMO COCc1csc(C[NH2+]CC2(C#N)CCCCC2)c1 ZINC000594981754 347248756 /nfs/dbraw/zinc/24/87/56/347248756.db2.gz UOGLPDMBTCONIH-UHFFFAOYSA-N 1 1 278.421 3.458 20 30 CGEDMO CC[N@@H+](CCO[C@H]1CC1(F)F)[C@H](C)c1ccc(C#N)cc1 ZINC000595294634 347288496 /nfs/dbraw/zinc/28/84/96/347288496.db2.gz AEKNGZIIGFRIFF-DOMZBBRYSA-N 1 1 294.345 3.365 20 30 CGEDMO C[C@@H](c1ccco1)[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595297858 347289512 /nfs/dbraw/zinc/28/95/12/347289512.db2.gz ZTCPOBSAFNZQOL-ZDUSSCGKSA-N 1 1 254.333 3.387 20 30 CGEDMO COc1cccc(SCC[N@H+](CCC#N)CC2CC2)c1 ZINC000595333672 347294064 /nfs/dbraw/zinc/29/40/64/347294064.db2.gz PDNXUSDVLQKYSZ-UHFFFAOYSA-N 1 1 290.432 3.413 20 30 CGEDMO COc1cccc(SCC[N@@H+](CCC#N)CC2CC2)c1 ZINC000595333672 347294068 /nfs/dbraw/zinc/29/40/68/347294068.db2.gz PDNXUSDVLQKYSZ-UHFFFAOYSA-N 1 1 290.432 3.413 20 30 CGEDMO C[C@@H](N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(C#N)c(F)c1 ZINC000595056338 347271866 /nfs/dbraw/zinc/27/18/66/347271866.db2.gz FLMZGXMLXIPBGG-IUODEOHRSA-N 1 1 289.398 3.221 20 30 CGEDMO C[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1ccc(C#N)c(F)c1 ZINC000595056338 347271870 /nfs/dbraw/zinc/27/18/70/347271870.db2.gz FLMZGXMLXIPBGG-IUODEOHRSA-N 1 1 289.398 3.221 20 30 CGEDMO C=CCCSCC[NH2+][C@@H](c1ncc[nH]1)c1ccccc1 ZINC000595059367 347273972 /nfs/dbraw/zinc/27/39/72/347273972.db2.gz MZQWYRRXORCQBH-OAHLLOKOSA-N 1 1 287.432 3.398 20 30 CGEDMO C[C@@H](N[C@@H](C)C[NH+]1CCC(C)CC1)c1ccc(C#N)cc1 ZINC000595090775 347280289 /nfs/dbraw/zinc/28/02/89/347280289.db2.gz QXYKHBKISQYMMM-JKSUJKDBSA-N 1 1 285.435 3.329 20 30 CGEDMO Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)c1C ZINC000595609457 347325874 /nfs/dbraw/zinc/32/58/74/347325874.db2.gz KFJKXTOIZLOBJX-CVEARBPZSA-N 1 1 299.418 3.256 20 30 CGEDMO Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](CC#N)C2)c1C ZINC000595609457 347325876 /nfs/dbraw/zinc/32/58/76/347325876.db2.gz KFJKXTOIZLOBJX-CVEARBPZSA-N 1 1 299.418 3.256 20 30 CGEDMO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595612417 347327911 /nfs/dbraw/zinc/32/79/11/347327911.db2.gz WNOIBDFIPDLMAU-HZPDHXFCSA-N 1 1 299.418 3.256 20 30 CGEDMO Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595612417 347327912 /nfs/dbraw/zinc/32/79/12/347327912.db2.gz WNOIBDFIPDLMAU-HZPDHXFCSA-N 1 1 299.418 3.256 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000595617447 347328336 /nfs/dbraw/zinc/32/83/36/347328336.db2.gz ZUGJFSOIQFAYSQ-CYBMUJFWSA-N 1 1 281.359 3.066 20 30 CGEDMO COc1ccc([C@@H](C)C[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000595623947 347329815 /nfs/dbraw/zinc/32/98/15/347329815.db2.gz ZKUSGADEHPZLRZ-GJZGRUSLSA-N 1 1 272.392 3.424 20 30 CGEDMO CC1(C)C[N@@H+](CC2(C#N)CC2)CCc2ccccc21 ZINC000595633842 347331082 /nfs/dbraw/zinc/33/10/82/347331082.db2.gz QSSCXFDSJKCTLN-UHFFFAOYSA-N 1 1 254.377 3.126 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000595660517 347334201 /nfs/dbraw/zinc/33/42/01/347334201.db2.gz UADOFTWNJKDURO-LLVKDONJSA-N 1 1 266.366 3.444 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000595661226 347335457 /nfs/dbraw/zinc/33/54/57/347335457.db2.gz XINDSWSPEWICNM-YOEHRIQHSA-N 1 1 298.386 3.060 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000595661226 347335460 /nfs/dbraw/zinc/33/54/60/347335460.db2.gz XINDSWSPEWICNM-YOEHRIQHSA-N 1 1 298.386 3.060 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000595688874 347338296 /nfs/dbraw/zinc/33/82/96/347338296.db2.gz JSLIRUFVCSNHBG-KDURUIRLSA-N 1 1 298.430 3.346 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CC[C@H](C3CCCCC3)C2)n1 ZINC000595742269 347349638 /nfs/dbraw/zinc/34/96/38/347349638.db2.gz YHNLKOGMTDFFEL-ZDUSSCGKSA-N 1 1 275.421 3.417 20 30 CGEDMO N#Cc1csc(C[N@H+]2CC[C@H](C3CCCCC3)C2)n1 ZINC000595742269 347349642 /nfs/dbraw/zinc/34/96/42/347349642.db2.gz YHNLKOGMTDFFEL-ZDUSSCGKSA-N 1 1 275.421 3.417 20 30 CGEDMO C=CC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C(C)(C)C ZINC000595762576 347352707 /nfs/dbraw/zinc/35/27/07/347352707.db2.gz BCUGZLFTIAUYGW-UHFFFAOYSA-N 1 1 299.418 3.220 20 30 CGEDMO C=CC[N@H+](Cc1cc(C#N)ccc1OC)C(C)(C)C ZINC000595765226 347353347 /nfs/dbraw/zinc/35/33/47/347353347.db2.gz ISFIBYDNHZIVAE-UHFFFAOYSA-N 1 1 258.365 3.353 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2onc(C)c2[N+](=O)[O-])CCCC1(C)C ZINC000595464134 347307664 /nfs/dbraw/zinc/30/76/64/347307664.db2.gz CSWPIEPWXQNHFA-ZDUSSCGKSA-N 1 1 293.367 3.458 20 30 CGEDMO CC[C@@H](C)[N@@H+](CC)CCOc1ccc(C#N)cc1OC ZINC000595592057 347322196 /nfs/dbraw/zinc/32/21/96/347322196.db2.gz ASTAMFXXGWEZKI-CYBMUJFWSA-N 1 1 276.380 3.066 20 30 CGEDMO Cc1cc(CO)cc(N[C@H]2CCCc3cc(C#N)ccc32)[nH+]1 ZINC000596279268 347409492 /nfs/dbraw/zinc/40/94/92/347409492.db2.gz VYCTVXWJCPEZHX-KRWDZBQOSA-N 1 1 293.370 3.244 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000595839434 347364347 /nfs/dbraw/zinc/36/43/47/347364347.db2.gz XWHXFOFMWAMYDD-HNNXBMFYSA-N 1 1 299.374 3.479 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000595839434 347364350 /nfs/dbraw/zinc/36/43/50/347364350.db2.gz XWHXFOFMWAMYDD-HNNXBMFYSA-N 1 1 299.374 3.479 20 30 CGEDMO CC(C)O[C@H](C[N@@H+]1CC[C@](C)(C#N)C1)c1ccccc1 ZINC000595840583 347365399 /nfs/dbraw/zinc/36/53/99/347365399.db2.gz CCAKZTXDFUJJEK-IAGOWNOFSA-N 1 1 272.392 3.388 20 30 CGEDMO CC(C)O[C@H](C[N@H+]1CC[C@](C)(C#N)C1)c1ccccc1 ZINC000595840583 347365400 /nfs/dbraw/zinc/36/54/00/347365400.db2.gz CCAKZTXDFUJJEK-IAGOWNOFSA-N 1 1 272.392 3.388 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OC)c(C#N)c1 ZINC000595844189 347366406 /nfs/dbraw/zinc/36/64/06/347366406.db2.gz BUVPHAPZQUFTCB-IYBDPMFKSA-N 1 1 268.360 3.250 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(F)cccc1[N+](=O)[O-] ZINC000595845338 347367254 /nfs/dbraw/zinc/36/72/54/347367254.db2.gz LMVSGIPHVGVJSH-TXEJJXNPSA-N 1 1 276.311 3.417 20 30 CGEDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1cccc(C#N)c1 ZINC000595856274 347368228 /nfs/dbraw/zinc/36/82/28/347368228.db2.gz AGGAMIJHXWSQMY-FUCXHRTASA-N 1 1 297.402 3.150 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cn1)C[C@H]1CCc2ccccc21 ZINC000595877817 347369886 /nfs/dbraw/zinc/36/98/86/347369886.db2.gz KFKJNMILQRGAEX-MRXNPFEDSA-N 1 1 277.371 3.115 20 30 CGEDMO C[C@H]1C[N@H+](CCCC(C)(C)C#N)C[C@@H](CC(F)(F)F)O1 ZINC000595887617 347370278 /nfs/dbraw/zinc/37/02/78/347370278.db2.gz AARRFDRSETWVIO-NWDGAFQWSA-N 1 1 292.345 3.358 20 30 CGEDMO C[C@H]1C[N@@H+](CCCC(C)(C)C#N)C[C@@H](CC(F)(F)F)O1 ZINC000595887617 347370280 /nfs/dbraw/zinc/37/02/80/347370280.db2.gz AARRFDRSETWVIO-NWDGAFQWSA-N 1 1 292.345 3.358 20 30 CGEDMO Cc1ccc(C#N)nc1N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000596082593 347381149 /nfs/dbraw/zinc/38/11/49/347381149.db2.gz RVYLLTZNKAMCOB-HLLBOEOZSA-N 1 1 298.434 3.103 20 30 CGEDMO C[C@H](NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(C#N)cc1 ZINC000596097504 347383343 /nfs/dbraw/zinc/38/33/43/347383343.db2.gz YHCUQXDUACGOMI-YJBOKZPZSA-N 1 1 297.446 3.331 20 30 CGEDMO C[C@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(C#N)cc1 ZINC000596097504 347383346 /nfs/dbraw/zinc/38/33/46/347383346.db2.gz YHCUQXDUACGOMI-YJBOKZPZSA-N 1 1 297.446 3.331 20 30 CGEDMO C[C@@H](NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(C#N)cc1 ZINC000596097501 347383364 /nfs/dbraw/zinc/38/33/64/347383364.db2.gz YHCUQXDUACGOMI-CRAIPNDOSA-N 1 1 297.446 3.331 20 30 CGEDMO C[C@@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(C#N)cc1 ZINC000596097501 347383365 /nfs/dbraw/zinc/38/33/65/347383365.db2.gz YHCUQXDUACGOMI-CRAIPNDOSA-N 1 1 297.446 3.331 20 30 CGEDMO C=CCCSCCNc1[nH+]cnc2[nH]c(C)c(C)c21 ZINC000596411977 347449085 /nfs/dbraw/zinc/44/90/85/347449085.db2.gz CYFZUFSEIFTTSQ-UHFFFAOYSA-N 1 1 276.409 3.296 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000596592579 347484484 /nfs/dbraw/zinc/48/44/84/347484484.db2.gz YHLQZQFTRPAGHX-CQSZACIVSA-N 1 1 257.381 3.404 20 30 CGEDMO N#CCc1ccc(-c2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000596637840 347494944 /nfs/dbraw/zinc/49/49/44/347494944.db2.gz XBPHCWFANACNKT-UHFFFAOYSA-N 1 1 298.411 3.313 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000597174326 347544384 /nfs/dbraw/zinc/54/43/84/347544384.db2.gz OWCJXBABRFCJKI-CYBMUJFWSA-N 1 1 298.415 3.331 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000597175290 347544389 /nfs/dbraw/zinc/54/43/89/347544389.db2.gz XYOIJGZQVZXIOW-HNNXBMFYSA-N 1 1 270.376 3.377 20 30 CGEDMO COC[C@H](C)Oc1ccc(C[N@H+](CCC#N)C(C)C)cc1 ZINC000596985609 347524502 /nfs/dbraw/zinc/52/45/02/347524502.db2.gz GADQAHQBBSDIRF-HNNXBMFYSA-N 1 1 290.407 3.224 20 30 CGEDMO COC[C@H](C)Oc1ccc(C[N@@H+](CCC#N)C(C)C)cc1 ZINC000596985609 347524505 /nfs/dbraw/zinc/52/45/05/347524505.db2.gz GADQAHQBBSDIRF-HNNXBMFYSA-N 1 1 290.407 3.224 20 30 CGEDMO Cc1ccccc1-n1nccc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000597176588 347545112 /nfs/dbraw/zinc/54/51/12/347545112.db2.gz IRSRTBHGHUIGLB-MRXNPFEDSA-N 1 1 294.402 3.306 20 30 CGEDMO Cc1ccccc1-n1nccc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000597176588 347545115 /nfs/dbraw/zinc/54/51/15/347545115.db2.gz IRSRTBHGHUIGLB-MRXNPFEDSA-N 1 1 294.402 3.306 20 30 CGEDMO C[C@@H]1[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CCOC1(C)C ZINC000597007726 347526804 /nfs/dbraw/zinc/52/68/04/347526804.db2.gz GTMVBRZNKYPGIQ-AWEZNQCLSA-N 1 1 284.403 3.241 20 30 CGEDMO Cc1[nH+]cc(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)n1C ZINC000597025528 347528402 /nfs/dbraw/zinc/52/84/02/347528402.db2.gz BUSIBHDIUHKOQV-MSOLQXFVSA-N 1 1 294.402 3.000 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC000597177569 347545242 /nfs/dbraw/zinc/54/52/42/347545242.db2.gz PILVCLRJUXXOCZ-USXIJHARSA-N 1 1 254.377 3.416 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2scnc2C2CC2)C1 ZINC000597176483 347545358 /nfs/dbraw/zinc/54/53/58/347545358.db2.gz HVKWQVOXAWXRBI-LLVKDONJSA-N 1 1 261.394 3.146 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@H]3[C@H]3CCCO3)cc2)CC1 ZINC000597121525 347537527 /nfs/dbraw/zinc/53/75/27/347537527.db2.gz OZLILXUESDSGKZ-ZWKOTPCHSA-N 1 1 296.414 3.385 20 30 CGEDMO CC1(C)C[C@@H](O)CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597143160 347539679 /nfs/dbraw/zinc/53/96/79/347539679.db2.gz DOQHWCLWPCJPCC-KRWDZBQOSA-N 1 1 298.430 3.225 20 30 CGEDMO N#CC1(c2ccc(C[N@@H+]3CC[C@]4(CC4(F)F)C3)cc2)CC1 ZINC000597157579 347541838 /nfs/dbraw/zinc/54/18/38/347541838.db2.gz ONULNJHMOKNSGD-INIZCTEOSA-N 1 1 288.341 3.473 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000597173573 347543128 /nfs/dbraw/zinc/54/31/28/347543128.db2.gz KFICZMWECNGUFY-HJHHMULASA-N 1 1 285.347 3.234 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000597173598 347543352 /nfs/dbraw/zinc/54/33/52/347543352.db2.gz KTJXSGLQHRCVCM-ZDUSSCGKSA-N 1 1 298.365 3.341 20 30 CGEDMO COc1c(C)cc(C[N@@H+]2CC[C@](C)(C#N)C2)cc1C ZINC000597229560 347558350 /nfs/dbraw/zinc/55/83/50/347558350.db2.gz MKFBGKCBPXEXHB-MRXNPFEDSA-N 1 1 258.365 3.048 20 30 CGEDMO COc1c(C)cc(C[N@H+]2CC[C@](C)(C#N)C2)cc1C ZINC000597229560 347558354 /nfs/dbraw/zinc/55/83/54/347558354.db2.gz MKFBGKCBPXEXHB-MRXNPFEDSA-N 1 1 258.365 3.048 20 30 CGEDMO N#CCC1C[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000597193566 347548089 /nfs/dbraw/zinc/54/80/89/347548089.db2.gz GNEQQEIIZRWKNX-UHFFFAOYSA-N 1 1 297.314 3.200 20 30 CGEDMO C[C@H](NC[C@H]1CCCC[N@@H+](C)C1)c1ccc(C#N)cc1F ZINC000599068608 347713761 /nfs/dbraw/zinc/71/37/61/347713761.db2.gz AEENWWPTIXENEO-DZGCQCFKSA-N 1 1 289.398 3.080 20 30 CGEDMO CC[C@H]1c2ccsc2CC[N@@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598585832 347666922 /nfs/dbraw/zinc/66/69/22/347666922.db2.gz KZOQUCIZYLWTKE-OCCSQVGLSA-N 1 1 292.448 3.358 20 30 CGEDMO Cc1nc(C)c([C@H](C)[N@@H+](C)C[C@H](O)CC(C)(C)C#N)s1 ZINC000598589144 347667565 /nfs/dbraw/zinc/66/75/65/347667565.db2.gz RAFOYFRAOCPIRG-WCQYABFASA-N 1 1 295.452 3.054 20 30 CGEDMO CC(C)(C)C[C@@H]1CCC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598590853 347667633 /nfs/dbraw/zinc/66/76/33/347667633.db2.gz RIAOYAXSAYWVQM-UONOGXRCSA-N 1 1 266.429 3.188 20 30 CGEDMO CC(C)C[N@@H+](C[C@H](O)CC(C)(C)C#N)C1CCCC1 ZINC000598591189 347667699 /nfs/dbraw/zinc/66/76/99/347667699.db2.gz VPPUMHCLCYUFGH-OAHLLOKOSA-N 1 1 266.429 3.188 20 30 CGEDMO CC(C)(C)C[C@H]1CCC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598590852 347667770 /nfs/dbraw/zinc/66/77/70/347667770.db2.gz RIAOYAXSAYWVQM-KGLIPLIRSA-N 1 1 266.429 3.188 20 30 CGEDMO CC[C@@H]1Cc2ccccc2C[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598603912 347670663 /nfs/dbraw/zinc/67/06/63/347670663.db2.gz HNJWWLSCLWOSPU-SJORKVTESA-N 1 1 286.419 3.124 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@H](O)CC(C)(C)C#N ZINC000598613594 347671294 /nfs/dbraw/zinc/67/12/94/347671294.db2.gz KGOHLIHSHBDRNQ-QGZVFWFLSA-N 1 1 286.419 3.365 20 30 CGEDMO CCC(O)(CC)C[N@@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000599673392 347763910 /nfs/dbraw/zinc/76/39/10/347763910.db2.gz MHJWZEAUFYHLOE-ZDUSSCGKSA-N 1 1 260.381 3.102 20 30 CGEDMO COC[C@H](C)[N@@H+](CCCC#N)[C@@H]1CCc2ccccc21 ZINC000599683571 347765934 /nfs/dbraw/zinc/76/59/34/347765934.db2.gz RGSUBACYBSXJCU-WMLDXEAASA-N 1 1 272.392 3.315 20 30 CGEDMO CCC(C#N)(CC)C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000599196145 347725385 /nfs/dbraw/zinc/72/53/85/347725385.db2.gz NWDZRJYVCZDVLO-UHFFFAOYSA-N 1 1 293.455 3.039 20 30 CGEDMO Cc1ccc(C[N@H+](C)Cc2ccc(C)c(C#N)c2)o1 ZINC000599256551 347729541 /nfs/dbraw/zinc/72/95/41/347729541.db2.gz CSFHRHXYIVNAKR-UHFFFAOYSA-N 1 1 254.333 3.400 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C)CC1(O)CCC(c2ccccc2)CC1 ZINC000599279903 347731653 /nfs/dbraw/zinc/73/16/53/347731653.db2.gz VSIAMKHBHGYFNU-ZLPCBKJTSA-N 1 1 286.419 3.167 20 30 CGEDMO Cc1ccc(C[N@H+]2CCSC(C)(C)C2)cc1C#N ZINC000599307794 347734594 /nfs/dbraw/zinc/73/45/94/347734594.db2.gz ZOPUKDZXQQGEQD-UHFFFAOYSA-N 1 1 260.406 3.194 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@@H](C3CCOCC3)C2)cc1C#N ZINC000599338596 347736938 /nfs/dbraw/zinc/73/69/38/347736938.db2.gz FHKGLSCGEZKOSA-QGZVFWFLSA-N 1 1 284.403 3.115 20 30 CGEDMO Cc1ccc(C[N@H+](C)[C@H](C)c2ccncc2)cc1C#N ZINC000599348196 347738463 /nfs/dbraw/zinc/73/84/63/347738463.db2.gz NFULJLOCCKJJEH-CQSZACIVSA-N 1 1 265.360 3.455 20 30 CGEDMO Cc1nc([C@H](C)[NH2+]Cc2ccc(C)c(C#N)c2)cs1 ZINC000599362738 347739687 /nfs/dbraw/zinc/73/96/87/347739687.db2.gz LRJNEKYZTPHRMH-NSHDSACASA-N 1 1 271.389 3.482 20 30 CGEDMO Cc1ccc(C[N@H+]2CCSC[C@@H]2C2CC2)cc1C#N ZINC000599432710 347744741 /nfs/dbraw/zinc/74/47/41/347744741.db2.gz ANWYJDJMHNBCJV-MRXNPFEDSA-N 1 1 272.417 3.194 20 30 CGEDMO C[C@@H]1C[NH+](Cc2ccc(C#N)cc2F)C[C@@H](C)C1(F)F ZINC000599513089 347749122 /nfs/dbraw/zinc/74/91/22/347749122.db2.gz QSESRQKWAJLACP-GHMZBOCLSA-N 1 1 282.309 3.420 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000599526473 347750574 /nfs/dbraw/zinc/75/05/74/347750574.db2.gz MMPARYYFDQRVLB-LBPRGKRZSA-N 1 1 276.336 3.001 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000599526701 347750772 /nfs/dbraw/zinc/75/07/72/347750772.db2.gz PSLAHECMJURBJZ-AWEZNQCLSA-N 1 1 265.360 3.209 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CCCC(F)(F)CC1 ZINC000599551292 347753442 /nfs/dbraw/zinc/75/34/42/347753442.db2.gz LJYLRLSLLCFDIB-UHFFFAOYSA-N 1 1 250.292 3.179 20 30 CGEDMO N#Cc1cccc(OCC[N@@H+]2CCCC(F)(F)CC2)c1 ZINC000599551226 347753754 /nfs/dbraw/zinc/75/37/54/347753754.db2.gz IUCOPUXDDMYWDV-UHFFFAOYSA-N 1 1 280.318 3.058 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](c3ccc(O)cc3)C2)cc1F ZINC000600214003 347793885 /nfs/dbraw/zinc/79/38/85/347793885.db2.gz JXGADIQPYQSBQU-MRXNPFEDSA-N 1 1 296.345 3.392 20 30 CGEDMO CCc1ncc(C[N@@H+]2CCc3c(CC#N)cccc3C2)s1 ZINC000600212320 347794317 /nfs/dbraw/zinc/79/43/17/347794317.db2.gz BZHOOHJPWGHWRG-UHFFFAOYSA-N 1 1 297.427 3.330 20 30 CGEDMO CCc1ncc(C[N@H+]2CCc3c(CC#N)cccc3C2)s1 ZINC000600212320 347794319 /nfs/dbraw/zinc/79/43/19/347794319.db2.gz BZHOOHJPWGHWRG-UHFFFAOYSA-N 1 1 297.427 3.330 20 30 CGEDMO N#Cc1cccc(C2([NH2+]Cc3cnc(C4CC4)o3)CC2)c1 ZINC000600141309 347784233 /nfs/dbraw/zinc/78/42/33/347784233.db2.gz DYMJIDTXCCSQEI-UHFFFAOYSA-N 1 1 279.343 3.203 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000600183735 347790486 /nfs/dbraw/zinc/79/04/86/347790486.db2.gz DSTBTUGAGKRPIA-ZDUSSCGKSA-N 1 1 260.337 3.301 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cc(C(=O)OC)c(CC)o2)C1 ZINC000600186070 347791062 /nfs/dbraw/zinc/79/10/62/347791062.db2.gz ODEBSEXDQCIEQG-LBPRGKRZSA-N 1 1 277.364 3.027 20 30 CGEDMO Cc1cc(C)c(CSCc2ncc(C#N)cn2)c(C)[nH+]1 ZINC000601055686 347859168 /nfs/dbraw/zinc/85/91/68/347859168.db2.gz BTOGKMWXRDLGBB-UHFFFAOYSA-N 1 1 284.388 3.102 20 30 CGEDMO C=C(C)COc1cccc(NC(=O)[C@@H]2CCCC[N@H+]2C)c1 ZINC000600992503 347851378 /nfs/dbraw/zinc/85/13/78/347851378.db2.gz WJMYGKLYYYJUTE-INIZCTEOSA-N 1 1 288.391 3.064 20 30 CGEDMO C=C(C)COc1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC000600992503 347851382 /nfs/dbraw/zinc/85/13/82/347851382.db2.gz WJMYGKLYYYJUTE-INIZCTEOSA-N 1 1 288.391 3.064 20 30 CGEDMO C=C(C)COc1cccc(NC(=O)[C@H]2CCCC[N@H+]2C)c1 ZINC000600992504 347851663 /nfs/dbraw/zinc/85/16/63/347851663.db2.gz WJMYGKLYYYJUTE-MRXNPFEDSA-N 1 1 288.391 3.064 20 30 CGEDMO C=C(C)COc1cccc(NC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC000600992504 347851666 /nfs/dbraw/zinc/85/16/66/347851666.db2.gz WJMYGKLYYYJUTE-MRXNPFEDSA-N 1 1 288.391 3.064 20 30 CGEDMO CC1(C#N)CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601140537 347874604 /nfs/dbraw/zinc/87/46/04/347874604.db2.gz XVOSVNSOPHVLDY-UHFFFAOYSA-N 1 1 296.330 3.273 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000602430701 347955919 /nfs/dbraw/zinc/95/59/19/347955919.db2.gz OILOALTUQBJMHA-CQSZACIVSA-N 1 1 270.376 3.421 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)CCCOc1ccccc1 ZINC000602444654 347958893 /nfs/dbraw/zinc/95/88/93/347958893.db2.gz KBWSFNULPBTHNW-OAHLLOKOSA-N 1 1 260.381 3.327 20 30 CGEDMO C[N@@H+](CCc1ccc(Cl)cc1)Cc1cccc(C#N)n1 ZINC000602456796 347961350 /nfs/dbraw/zinc/96/13/50/347961350.db2.gz YNYXZSTWHZFTJN-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000602472473 347964372 /nfs/dbraw/zinc/96/43/72/347964372.db2.gz KLPVBTAXGGYEPL-NVXWUHKLSA-N 1 1 272.392 3.174 20 30 CGEDMO Cc1ccccc1[C@H]1C[N@@H+](C[C@@H](C)CCC#N)CCO1 ZINC000602474462 347964630 /nfs/dbraw/zinc/96/46/30/347964630.db2.gz PDYXFPANTOIDCS-WMLDXEAASA-N 1 1 272.392 3.308 20 30 CGEDMO CO[C@]1(C)C[C@@H]([N@@H+](C)C[C@H](C)CCC#N)C1(C)C ZINC000602482222 347967144 /nfs/dbraw/zinc/96/71/44/347967144.db2.gz HMHXRUDQRWEIEJ-UMVBOHGHSA-N 1 1 252.402 3.062 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)Cc1cc(Br)cn1C ZINC000602485630 347967800 /nfs/dbraw/zinc/96/78/00/347967800.db2.gz OMJYRZGGEAPDFR-LLVKDONJSA-N 1 1 298.228 3.159 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000602606925 347992116 /nfs/dbraw/zinc/99/21/16/347992116.db2.gz OXTSPPXSIBSADZ-HZPDHXFCSA-N 1 1 272.392 3.327 20 30 CGEDMO C[C@@H](C1CCCCC1)[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602637178 347998488 /nfs/dbraw/zinc/99/84/88/347998488.db2.gz MDBJTACTYFLVQN-ZDUSSCGKSA-N 1 1 257.381 3.354 20 30 CGEDMO Cc1ccccc1[C@@]1(F)CC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602653347 348001121 /nfs/dbraw/zinc/00/11/21/348001121.db2.gz PYYIYFHWFFAAIY-GOSISDBHSA-N 1 1 295.361 3.332 20 30 CGEDMO Cc1ccccc1[C@@]1(F)CC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602653347 348001123 /nfs/dbraw/zinc/00/11/23/348001123.db2.gz PYYIYFHWFFAAIY-GOSISDBHSA-N 1 1 295.361 3.332 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000602663454 348003491 /nfs/dbraw/zinc/00/34/91/348003491.db2.gz COKOCUMZNHMNCT-CVEARBPZSA-N 1 1 296.418 3.441 20 30 CGEDMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602686785 348009151 /nfs/dbraw/zinc/00/91/51/348009151.db2.gz DQSUPOUMXGYSGF-ZDUSSCGKSA-N 1 1 283.350 3.155 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccco1 ZINC000602720399 348017183 /nfs/dbraw/zinc/01/71/83/348017183.db2.gz ZOWQILLNJRYEBV-HOCLYGCPSA-N 1 1 288.391 3.373 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602719855 348017286 /nfs/dbraw/zinc/01/72/86/348017286.db2.gz BEJDXELXPTXCGE-NSHDSACASA-N 1 1 287.319 3.134 20 30 CGEDMO CCn1nc(C)c(C[N@@H+](C)CC(C)(C)CCC#N)c1C ZINC000602728043 348019329 /nfs/dbraw/zinc/01/93/29/348019329.db2.gz HXFISFNVHMBMHV-UHFFFAOYSA-N 1 1 276.428 3.282 20 30 CGEDMO Cc1cc(C[N@@H+]2CCc3c(CC#N)cccc3C2)sn1 ZINC000602729340 348019961 /nfs/dbraw/zinc/01/99/61/348019961.db2.gz IBTMQBPYSNAEKQ-UHFFFAOYSA-N 1 1 283.400 3.076 20 30 CGEDMO Cc1cc(C[N@H+]2CCc3c(CC#N)cccc3C2)sn1 ZINC000602729340 348019963 /nfs/dbraw/zinc/01/99/63/348019963.db2.gz IBTMQBPYSNAEKQ-UHFFFAOYSA-N 1 1 283.400 3.076 20 30 CGEDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1)CC1(CC#N)CC1 ZINC000602761363 348024650 /nfs/dbraw/zinc/02/46/50/348024650.db2.gz YOQTYFZMKHKRCA-UHFFFAOYSA-N 1 1 288.391 3.220 20 30 CGEDMO COc1ccccc1C[C@@H]1CCC[N@H+]1CC1(CC#N)CC1 ZINC000602765342 348025655 /nfs/dbraw/zinc/02/56/55/348025655.db2.gz JZLYUJUHLDMIHX-INIZCTEOSA-N 1 1 284.403 3.396 20 30 CGEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCO[C@@H]1C ZINC000602770101 348026595 /nfs/dbraw/zinc/02/65/95/348026595.db2.gz VRNQMXCJRNLCHS-PBHICJAKSA-N 1 1 272.392 3.194 20 30 CGEDMO N#CCC1(C[N@@H+]2CC[C@H](Oc3ccccc3Cl)C2)CC1 ZINC000602802460 348031556 /nfs/dbraw/zinc/03/15/56/348031556.db2.gz UKSCNLRQZJBPGD-ZDUSSCGKSA-N 1 1 290.794 3.487 20 30 CGEDMO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CC1(CC#N)CC1 ZINC000602807191 348032748 /nfs/dbraw/zinc/03/27/48/348032748.db2.gz QUMIKHNMXVWSFK-WDEREUQCSA-N 1 1 260.303 3.343 20 30 CGEDMO C[C@@H]1C[N@H+](CC/C=C\c2ccccc2)C[C@H](C)N1CC#N ZINC000602848208 348036308 /nfs/dbraw/zinc/03/63/08/348036308.db2.gz FLXXFGSKXWHXRR-RBHTYBDBSA-N 1 1 283.419 3.008 20 30 CGEDMO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1CC1(CC#N)CC1 ZINC000602846097 348036644 /nfs/dbraw/zinc/03/66/44/348036644.db2.gz LSIFCLKIXBUUIO-ZIAGYGMSSA-N 1 1 292.423 3.122 20 30 CGEDMO C[C@@H](CC#N)[NH2+]CCOc1ccc(Cl)cc1Cl ZINC000602862219 348037383 /nfs/dbraw/zinc/03/73/83/348037383.db2.gz JEQPKQZZXDVKOE-VIFPVBQESA-N 1 1 273.163 3.264 20 30 CGEDMO C[N@H+](CCOc1ccccc1Cl)[C@@H]1CCC[C@H]1C#N ZINC000602976980 348049549 /nfs/dbraw/zinc/04/95/49/348049549.db2.gz VYPBUNWOUINFBX-GXTWGEPZSA-N 1 1 278.783 3.343 20 30 CGEDMO C[N@@H+](CCOc1ccccc1Cl)[C@@H]1CCC[C@H]1C#N ZINC000602976980 348049550 /nfs/dbraw/zinc/04/95/50/348049550.db2.gz VYPBUNWOUINFBX-GXTWGEPZSA-N 1 1 278.783 3.343 20 30 CGEDMO C[N@@H+](CCCc1cccc(F)c1)[C@H]1CCC[C@@H]1C#N ZINC000602980420 348049984 /nfs/dbraw/zinc/04/99/84/348049984.db2.gz PYEKCCVSWVDZOS-ZBFHGGJFSA-N 1 1 260.356 3.382 20 30 CGEDMO C[N@@H+](CCCCC(=O)OC(C)(C)C)[C@H]1CCC[C@H]1C#N ZINC000602979474 348050402 /nfs/dbraw/zinc/05/04/02/348050402.db2.gz DSNIDBMOFNERJM-KBPBESRZSA-N 1 1 280.412 3.122 20 30 CGEDMO CO[C@H](C[N@H+](C)[C@@H]1CCC[C@@H]1C#N)c1ccc(F)cc1 ZINC000602981315 348050909 /nfs/dbraw/zinc/05/09/09/348050909.db2.gz BFYMHVYAGFXZMZ-FVQBIDKESA-N 1 1 276.355 3.137 20 30 CGEDMO CO[C@H](C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N)c1ccc(F)cc1 ZINC000602981315 348050911 /nfs/dbraw/zinc/05/09/11/348050911.db2.gz BFYMHVYAGFXZMZ-FVQBIDKESA-N 1 1 276.355 3.137 20 30 CGEDMO CO[C@H](C[N@H+](C)[C@@H]1CCC[C@H]1C#N)c1ccc(F)cc1 ZINC000602981316 348050927 /nfs/dbraw/zinc/05/09/27/348050927.db2.gz BFYMHVYAGFXZMZ-NUEKZKHPSA-N 1 1 276.355 3.137 20 30 CGEDMO CO[C@H](C[N@@H+](C)[C@@H]1CCC[C@H]1C#N)c1ccc(F)cc1 ZINC000602981316 348050930 /nfs/dbraw/zinc/05/09/30/348050930.db2.gz BFYMHVYAGFXZMZ-NUEKZKHPSA-N 1 1 276.355 3.137 20 30 CGEDMO COc1cc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)ccc1C ZINC000602981791 348051034 /nfs/dbraw/zinc/05/10/34/348051034.db2.gz JRYFAFLZEAIVJL-LSDHHAIUSA-N 1 1 258.365 3.128 20 30 CGEDMO COc1cc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)ccc1C ZINC000602981791 348051035 /nfs/dbraw/zinc/05/10/35/348051035.db2.gz JRYFAFLZEAIVJL-LSDHHAIUSA-N 1 1 258.365 3.128 20 30 CGEDMO C[C@@]1(C2CCCCC2)CC[N@H+]1Cc1ccncc1C#N ZINC000603031024 348055285 /nfs/dbraw/zinc/05/52/85/348055285.db2.gz ZPPWGWASMYAVHE-KRWDZBQOSA-N 1 1 269.392 3.498 20 30 CGEDMO Cc1ccnc(N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1C#N ZINC000273318136 192111672 /nfs/dbraw/zinc/11/16/72/192111672.db2.gz JQGPLTIKTHZLRW-LSDHHAIUSA-N 1 1 298.434 3.327 20 30 CGEDMO CC#CC[N@@H+](C)CCCOc1ccc(Cl)cc1 ZINC000607727131 348258141 /nfs/dbraw/zinc/25/81/41/348258141.db2.gz GSOWMJYBDPKDSN-UHFFFAOYSA-N 1 1 251.757 3.064 20 30 CGEDMO C=CC[N@@H+](CCOCC1CC1)CC1CCCCC1 ZINC000607731976 348259017 /nfs/dbraw/zinc/25/90/17/348259017.db2.gz XFKXQGUKAUFFEG-UHFFFAOYSA-N 1 1 251.414 3.481 20 30 CGEDMO CC(C)(C)[C@H]1CCC[N@H+]1CCOc1ccccc1C#N ZINC000609195442 348339741 /nfs/dbraw/zinc/33/97/41/348339741.db2.gz UKVBERJYVDVJAG-MRXNPFEDSA-N 1 1 272.392 3.448 20 30 CGEDMO CCO[C@@H]1CCC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000610002221 348359897 /nfs/dbraw/zinc/35/98/97/348359897.db2.gz QEPZXZDFYFCMEU-CZUORRHYSA-N 1 1 258.365 3.120 20 30 CGEDMO CCc1cc(C[NH2+]Cc2cccc(OCCCC#N)c2)on1 ZINC000610162353 348363766 /nfs/dbraw/zinc/36/37/66/348363766.db2.gz VBILMDFJIWCUSZ-UHFFFAOYSA-N 1 1 299.374 3.209 20 30 CGEDMO Cc1ccccc1OCCC[N@H+](C)Cc1ccnc(C#N)c1 ZINC000610991822 348414068 /nfs/dbraw/zinc/41/40/68/348414068.db2.gz SOSBBJHVEFEXSK-UHFFFAOYSA-N 1 1 295.386 3.163 20 30 CGEDMO CC[C@H](C)[C@H]1CCCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610993347 348414838 /nfs/dbraw/zinc/41/48/38/348414838.db2.gz NOTIHJYOGLWNHR-XJKSGUPXSA-N 1 1 257.381 3.354 20 30 CGEDMO CC[C@@H](C)[C@@H](C)[N@@H+](Cc1ccnc(C#N)c1)C1CC1 ZINC000610992639 348415204 /nfs/dbraw/zinc/41/52/04/348415204.db2.gz WPBJLTSKMSURIN-CHWSQXEVSA-N 1 1 257.381 3.352 20 30 CGEDMO CC(C)CC[C@H]1CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610994169 348416302 /nfs/dbraw/zinc/41/63/02/348416302.db2.gz OULMGJRSBOFTDG-MRXNPFEDSA-N 1 1 257.381 3.354 20 30 CGEDMO CCC[C@@H](C)[C@@H]1CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610994540 348416335 /nfs/dbraw/zinc/41/63/35/348416335.db2.gz SYIPQSCAQHXVDC-CJNGLKHVSA-N 1 1 257.381 3.354 20 30 CGEDMO CCC[C@@]1(C)CCC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000610993750 348416672 /nfs/dbraw/zinc/41/66/72/348416672.db2.gz HCZLPJHJXQUGAN-INIZCTEOSA-N 1 1 257.381 3.355 20 30 CGEDMO N#Cc1csc(C[NH2+][C@H]2COc3c2cccc3Cl)c1 ZINC000610707608 348397708 /nfs/dbraw/zinc/39/77/08/348397708.db2.gz MHONEQFMECHTQM-ZDUSSCGKSA-N 1 1 290.775 3.496 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2C[C@H](C)C[C@@H]2C)c1C#N ZINC000611348172 348440229 /nfs/dbraw/zinc/44/02/29/348440229.db2.gz RKLIEYFPIUIZDW-KGLIPLIRSA-N 1 1 294.402 3.283 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2C[C@H](C)C[C@@H]2C)c1C#N ZINC000611348172 348440232 /nfs/dbraw/zinc/44/02/32/348440232.db2.gz RKLIEYFPIUIZDW-KGLIPLIRSA-N 1 1 294.402 3.283 20 30 CGEDMO CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(CCC#N)CC1 ZINC000611174228 348426087 /nfs/dbraw/zinc/42/60/87/348426087.db2.gz YHIDGFWMKFDUMK-INIZCTEOSA-N 1 1 291.826 3.322 20 30 CGEDMO CC[C@H](C)[N@H+](C)CCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611391853 348445228 /nfs/dbraw/zinc/44/52/28/348445228.db2.gz BUGGQOQRTBERHS-KBXCAEBGSA-N 1 1 285.435 3.256 20 30 CGEDMO CC[C@H](C)[N@@H+](C)CCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611391853 348445229 /nfs/dbraw/zinc/44/52/29/348445229.db2.gz BUGGQOQRTBERHS-KBXCAEBGSA-N 1 1 285.435 3.256 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000611577260 348462448 /nfs/dbraw/zinc/46/24/48/348462448.db2.gz HBTQVKGADIHNPA-FZMZJTMJSA-N 1 1 280.318 3.323 20 30 CGEDMO N#CCCCN[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000611937983 348481637 /nfs/dbraw/zinc/48/16/37/348481637.db2.gz DEWAUXPNCUEDFP-QGZVFWFLSA-N 1 1 271.408 3.107 20 30 CGEDMO COCC[C@H](c1ccccc1)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612157896 348498010 /nfs/dbraw/zinc/49/80/10/348498010.db2.gz FTULSUUZIMACTO-SJORKVTESA-N 1 1 272.392 3.390 20 30 CGEDMO COc1ccc([C@@H](C)C[N@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612406459 348517631 /nfs/dbraw/zinc/51/76/31/348517631.db2.gz MTAVHQZODYONHO-WMLDXEAASA-N 1 1 272.392 3.424 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCOCC2(C)C)cc1 ZINC000614160644 348653247 /nfs/dbraw/zinc/65/32/47/348653247.db2.gz ROGSYDOPFMKQGZ-UHFFFAOYSA-N 1 1 272.392 3.099 20 30 CGEDMO CC[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@@H](C)O1 ZINC000614166957 348654631 /nfs/dbraw/zinc/65/46/31/348654631.db2.gz PYYXADWZTWEZQC-RHSMWYFYSA-N 1 1 286.419 3.487 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000614963410 348704192 /nfs/dbraw/zinc/70/41/92/348704192.db2.gz CENGSUCMTPEWHZ-SMDDNHRTSA-N 1 1 280.318 3.323 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000616731783 348876905 /nfs/dbraw/zinc/87/69/05/348876905.db2.gz LZGZBVXLQUBKMC-UHFFFAOYSA-N 1 1 258.365 3.115 20 30 CGEDMO C=CC[C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000617781271 349010289 /nfs/dbraw/zinc/01/02/89/349010289.db2.gz JCXWQUHCAADKAO-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO Cc1nc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)nc2ccccc12 ZINC000618568525 349107153 /nfs/dbraw/zinc/10/71/53/349107153.db2.gz DDZVRSCDECPVSP-ZIAGYGMSSA-N 1 1 280.375 3.110 20 30 CGEDMO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1nc2c(s1)CCC2 ZINC000618741955 349152269 /nfs/dbraw/zinc/15/22/69/349152269.db2.gz OCIGTPONACMNJI-AWEZNQCLSA-N 1 1 295.411 3.281 20 30 CGEDMO CC(C)N1CCC([NH2+][C@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618801716 349156280 /nfs/dbraw/zinc/15/62/80/349156280.db2.gz BUONKSKWWRYQKX-SFHVURJKSA-N 1 1 283.419 3.008 20 30 CGEDMO CC(C)[C@@H](CO)[N@H+](Cc1ccccc1)C[C@@H](C)CCC#N ZINC000618888103 349175562 /nfs/dbraw/zinc/17/55/62/349175562.db2.gz NLMDSTYKFIZCPH-FUHWJXTLSA-N 1 1 288.435 3.445 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ncc(C)c(OC)c2C)C1 ZINC000625699544 350197870 /nfs/dbraw/zinc/19/78/70/350197870.db2.gz AIHQBYNPHUJGAI-AWEZNQCLSA-N 1 1 260.381 3.105 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](C[C@@H](O)[C@H](C)c2ccccc2)C1 ZINC000625700658 350198129 /nfs/dbraw/zinc/19/81/29/350198129.db2.gz DPHKSHHSOQTEIP-BFYDXBDKSA-N 1 1 259.393 3.049 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CC(=O)c2c[nH]c3ccc(F)cc32)C1 ZINC000625701331 350198572 /nfs/dbraw/zinc/19/85/72/350198572.db2.gz IWGMPHGYAKKHNW-LBPRGKRZSA-N 1 1 286.350 3.388 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cn3cc(C)ccc3n2)C1 ZINC000625703231 350199492 /nfs/dbraw/zinc/19/94/92/350199492.db2.gz MJKIUGJTESJOTJ-AWEZNQCLSA-N 1 1 255.365 3.041 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2cc(-c3ccco3)on2)C1 ZINC000625702193 350199878 /nfs/dbraw/zinc/19/98/78/350199878.db2.gz UPEKENOFALMBOG-LBPRGKRZSA-N 1 1 258.321 3.333 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625800547 350215775 /nfs/dbraw/zinc/21/57/75/350215775.db2.gz KHIZRATYQUTALW-QGZVFWFLSA-N 1 1 271.360 3.063 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CC(=O)Nc2c(C)cccc2CC)C1 ZINC000625703815 350201164 /nfs/dbraw/zinc/20/11/64/350201164.db2.gz PFIMXOBONPCHHL-HNNXBMFYSA-N 1 1 286.419 3.394 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625777846 350212473 /nfs/dbraw/zinc/21/24/73/350212473.db2.gz JUGPNALOVLNLMV-CVEARBPZSA-N 1 1 257.402 3.008 20 30 CGEDMO C=C(C)COc1cc(C[N@H+]2C[C@@H]3C[C@@H]3C2)ccc1OC ZINC000628409606 350531288 /nfs/dbraw/zinc/53/12/88/350531288.db2.gz WFIGZBCTPGLEST-GASCZTMLSA-N 1 1 273.376 3.102 20 30 CGEDMO C[C@H]1SCC[N@@H+](Cc2ccc(CC#N)cc2)[C@@H]1C ZINC000343550832 335209038 /nfs/dbraw/zinc/20/90/38/335209038.db2.gz LJTSMXSEEDKCKX-CHWSQXEVSA-N 1 1 260.406 3.078 20 30 CGEDMO C=C(C)CN(Cc1ccccc1)C(=O)C[N@H+](C)C1CCC1 ZINC000629999702 350796210 /nfs/dbraw/zinc/79/62/10/350796210.db2.gz NKKOUXOPHIFJQY-UHFFFAOYSA-N 1 1 286.419 3.076 20 30 CGEDMO C=CCn1cc(C[NH2+]C/C=C\c2c(C)cc(C)cc2C)nn1 ZINC000631163243 350974277 /nfs/dbraw/zinc/97/42/77/350974277.db2.gz NWOJXXFVGUTGQZ-SREVYHEPSA-N 1 1 296.418 3.192 20 30 CGEDMO C=CCCC(C)(C)C[NH2+]Cc1ccnn1-c1ccncc1 ZINC000631217912 350993420 /nfs/dbraw/zinc/99/34/20/350993420.db2.gz IADLEBMRGFRGAF-UHFFFAOYSA-N 1 1 284.407 3.349 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000633096062 351242516 /nfs/dbraw/zinc/24/25/16/351242516.db2.gz AASYAVMHBFVFBF-WBVHZDCISA-N 1 1 298.430 3.122 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)c(F)c1 ZINC000291479962 198033398 /nfs/dbraw/zinc/03/33/98/198033398.db2.gz FRCLOZJCBDNOJY-INIZCTEOSA-N 1 1 270.351 3.462 20 30 CGEDMO CN(C)c1ccccc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000122187462 187019870 /nfs/dbraw/zinc/01/98/70/187019870.db2.gz CEPVEXISZVQRKG-UHFFFAOYSA-N 1 1 279.387 3.256 20 30 CGEDMO C=CCn1c(C)cc(C(=O)Cn2cc[nH+]c2C(C)C)c1C ZINC000123556650 187098415 /nfs/dbraw/zinc/09/84/15/187098415.db2.gz OTNIHXZNKLZPBX-UHFFFAOYSA-N 1 1 285.391 3.494 20 30 CGEDMO CC(C)[C@@H]1[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CC12CCC2 ZINC000291932749 198109496 /nfs/dbraw/zinc/10/94/96/198109496.db2.gz OPGCTOZEVUAEQD-IRXDYDNUSA-N 1 1 284.403 3.102 20 30 CGEDMO Cc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)ccc1C#N ZINC000362959761 233952769 /nfs/dbraw/zinc/95/27/69/233952769.db2.gz DQETYASQLOQRJS-UHFFFAOYSA-N 1 1 275.355 3.370 20 30 CGEDMO CC[C@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000292397122 198272386 /nfs/dbraw/zinc/27/23/86/198272386.db2.gz KWHHAONISFBSFG-MFKMUULPSA-N 1 1 291.782 3.023 20 30 CGEDMO CC[C@H]1CC[N@H+]1[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000292397122 198272387 /nfs/dbraw/zinc/27/23/87/198272387.db2.gz KWHHAONISFBSFG-MFKMUULPSA-N 1 1 291.782 3.023 20 30 CGEDMO CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000292397121 198273100 /nfs/dbraw/zinc/27/31/00/198273100.db2.gz KWHHAONISFBSFG-GXFFZTMASA-N 1 1 291.782 3.023 20 30 CGEDMO CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000292397121 198273101 /nfs/dbraw/zinc/27/31/01/198273101.db2.gz KWHHAONISFBSFG-GXFFZTMASA-N 1 1 291.782 3.023 20 30 CGEDMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCC(C)(C)C#N ZINC000157440138 188317703 /nfs/dbraw/zinc/31/77/03/188317703.db2.gz IVBSQVRMFCAPMA-CQSZACIVSA-N 1 1 297.406 3.200 20 30 CGEDMO N#Cc1cccc(Cl)c1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000369672398 234392449 /nfs/dbraw/zinc/39/24/49/234392449.db2.gz NLANBIHTBNRNQM-CHWSQXEVSA-N 1 1 275.783 3.250 20 30 CGEDMO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]C[C@@H](C#N)CCC#N ZINC000157638941 188330081 /nfs/dbraw/zinc/33/00/81/188330081.db2.gz AKDRKFPCHCLBLH-TZMCWYRMSA-N 1 1 287.411 3.041 20 30 CGEDMO N#C[C@H]1CC[C@@H](N2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC000334558108 283066126 /nfs/dbraw/zinc/06/61/26/283066126.db2.gz JYKRGGIZDLFOIO-ZWKOTPCHSA-N 1 1 289.467 3.267 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186438836 283214137 /nfs/dbraw/zinc/21/41/37/283214137.db2.gz BEKDDOCYNHRZNN-LJQANCHMSA-N 1 1 290.366 3.190 20 30 CGEDMO C[C@@H]1CC[C@H](C)C[N@@H+]1CCOc1ccccc1C#N ZINC000088704532 138342730 /nfs/dbraw/zinc/34/27/30/138342730.db2.gz XBVVMQWAFTYMEB-UONOGXRCSA-N 1 1 258.365 3.057 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)ccc1F ZINC000119789241 138366921 /nfs/dbraw/zinc/36/69/21/138366921.db2.gz BZLKOIYDLWFOKO-QGZVFWFLSA-N 1 1 295.361 3.384 20 30 CGEDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000124517252 138375767 /nfs/dbraw/zinc/37/57/67/138375767.db2.gz GIGOFHIEFHBIJJ-LBPRGKRZSA-N 1 1 286.400 3.388 20 30 CGEDMO CC[C@@H]1CC[C@@H](C)[N@H+]1CCOc1ccccc1C#N ZINC000124572477 138376339 /nfs/dbraw/zinc/37/63/39/138376339.db2.gz ANDLBCDQCZTUAP-UKRRQHHQSA-N 1 1 258.365 3.200 20 30 CGEDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000124219449 138373446 /nfs/dbraw/zinc/37/34/46/138373446.db2.gz ALFZFJVTYZHXFC-WMLDXEAASA-N 1 1 272.392 3.074 20 30 CGEDMO C[C@H]1CCC[C@H](C)[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000125177461 138380166 /nfs/dbraw/zinc/38/01/66/138380166.db2.gz ARIJPNDVPZCBOE-RYUDHWBXSA-N 1 1 291.420 3.069 20 30 CGEDMO C[C@H]1CCC[C@H](C)[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000125177461 138380167 /nfs/dbraw/zinc/38/01/67/138380167.db2.gz ARIJPNDVPZCBOE-RYUDHWBXSA-N 1 1 291.420 3.069 20 30 CGEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)s2)C1(C)C ZINC000129958811 138398796 /nfs/dbraw/zinc/39/87/96/138398796.db2.gz TXBPGNBFPVOBHU-UONOGXRCSA-N 1 1 278.421 3.255 20 30 CGEDMO CC1(C)C[C@H](O)CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000336235580 213066600 /nfs/dbraw/zinc/06/66/00/213066600.db2.gz HXLDDJJRMHDAAP-CQSZACIVSA-N 1 1 292.810 3.195 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000298203881 200358972 /nfs/dbraw/zinc/35/89/72/200358972.db2.gz CQZBYFVUMBYAFM-CABCVRRESA-N 1 1 292.329 3.044 20 30 CGEDMO CCc1ccc([C@H](COC)[NH2+]Cc2ccc(C#N)s2)o1 ZINC000176975765 189018138 /nfs/dbraw/zinc/01/81/38/189018138.db2.gz RZBAHOYGKHGQNZ-AWEZNQCLSA-N 1 1 290.388 3.252 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)c1 ZINC000177193792 189035758 /nfs/dbraw/zinc/03/57/58/189035758.db2.gz XCSYSJSTDRIBPL-JKSUJKDBSA-N 1 1 272.417 3.418 20 30 CGEDMO N#Cc1cccc(C2([NH2+]Cc3ccncc3Cl)CC2)c1 ZINC000341980312 216174414 /nfs/dbraw/zinc/17/44/14/216174414.db2.gz ZKSSOMIFIWOSKK-UHFFFAOYSA-N 1 1 283.762 3.386 20 30 CGEDMO CN(C)c1cccc(C[N@H+](C)Cc2ccccc2C#N)c1 ZINC000178823391 189148545 /nfs/dbraw/zinc/14/85/45/189148545.db2.gz IBIHLDGFMMSWPP-UHFFFAOYSA-N 1 1 279.387 3.256 20 30 CGEDMO CN(C)c1cccc(C[N@@H+](C)Cc2ccccc2C#N)c1 ZINC000178823391 189148546 /nfs/dbraw/zinc/14/85/46/189148546.db2.gz IBIHLDGFMMSWPP-UHFFFAOYSA-N 1 1 279.387 3.256 20 30 CGEDMO COc1ccc(OCC[N@@H+](C)CC(C)(C)CCC#N)cc1 ZINC000119365772 370671197 /nfs/dbraw/zinc/67/11/97/370671197.db2.gz JXQUQWGYBGXQHE-UHFFFAOYSA-N 1 1 290.407 3.336 20 30 CGEDMO COC[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(C)o1 ZINC000181848354 189308288 /nfs/dbraw/zinc/30/82/88/189308288.db2.gz GVZCMEFRRZRBLS-XJKSGUPXSA-N 1 1 284.359 3.498 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCNc2cc(Cl)ccc2C#N)C1 ZINC000301528526 201049846 /nfs/dbraw/zinc/04/98/46/201049846.db2.gz OGZQVEUSGOOKPZ-GFCCVEGCSA-N 1 1 277.799 3.355 20 30 CGEDMO CCCO[C@H]1CCC[N@@H+](CCC(C)(C)C#N)CC1 ZINC000119644656 370695036 /nfs/dbraw/zinc/69/50/36/370695036.db2.gz OUIVZCSKOGDIKJ-AWEZNQCLSA-N 1 1 252.402 3.207 20 30 CGEDMO C[C@@H](NCc1ccc(C#N)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183100485 189346938 /nfs/dbraw/zinc/34/69/38/189346938.db2.gz SDNDBMDEEYEZDF-QAPCUYQASA-N 1 1 297.446 3.301 20 30 CGEDMO C[C@@H](NCc1ccc(C#N)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183100485 189346939 /nfs/dbraw/zinc/34/69/39/189346939.db2.gz SDNDBMDEEYEZDF-QAPCUYQASA-N 1 1 297.446 3.301 20 30 CGEDMO CC(=O)c1ccc(C#N)cc1NC[C@@H](c1ccco1)[NH+](C)C ZINC000302028151 201306599 /nfs/dbraw/zinc/30/65/99/201306599.db2.gz ATJKTLUCILNISB-INIZCTEOSA-N 1 1 297.358 3.069 20 30 CGEDMO CC(=O)c1ccc(C#N)c(NCCCCn2cc[nH+]c2C)c1 ZINC000302082403 201336095 /nfs/dbraw/zinc/33/60/95/201336095.db2.gz CPDDLUUZVDENST-UHFFFAOYSA-N 1 1 296.374 3.158 20 30 CGEDMO CCn1nccc1C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000119864239 370716104 /nfs/dbraw/zinc/71/61/04/370716104.db2.gz AEMQJEDEPXFTEL-AWEZNQCLSA-N 1 1 282.391 3.358 20 30 CGEDMO C[C@@]12C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451366261 240285880 /nfs/dbraw/zinc/28/58/80/240285880.db2.gz IHZYLYCJLAGDLE-VUNQQRPYSA-N 1 1 282.362 3.341 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000121052108 370825605 /nfs/dbraw/zinc/82/56/05/370825605.db2.gz UFBFWZSJPFQMLW-ZBFHGGJFSA-N 1 1 270.376 3.331 20 30 CGEDMO CC[C@H](C)C[N@H+](CC)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459354641 242085665 /nfs/dbraw/zinc/08/56/65/242085665.db2.gz JGZVRRZQOGDROJ-LBPRGKRZSA-N 1 1 275.352 3.334 20 30 CGEDMO CC[C@H](C)C[N@@H+](CC)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459354641 242085670 /nfs/dbraw/zinc/08/56/70/242085670.db2.gz JGZVRRZQOGDROJ-LBPRGKRZSA-N 1 1 275.352 3.334 20 30 CGEDMO C=CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000121514152 370868778 /nfs/dbraw/zinc/86/87/78/370868778.db2.gz SRYNSLNEYNZHKT-NSHDSACASA-N 1 1 266.772 3.093 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000121514152 370868783 /nfs/dbraw/zinc/86/87/83/370868783.db2.gz SRYNSLNEYNZHKT-NSHDSACASA-N 1 1 266.772 3.093 20 30 CGEDMO C=CC[N@@H+](C)Cc1ccc(Br)cc1F ZINC000121621488 370879768 /nfs/dbraw/zinc/87/97/68/370879768.db2.gz RGDOVRGETORWEC-UHFFFAOYSA-N 1 1 258.134 3.206 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(Br)cc1F ZINC000121621488 370879775 /nfs/dbraw/zinc/87/97/75/370879775.db2.gz RGDOVRGETORWEC-UHFFFAOYSA-N 1 1 258.134 3.206 20 30 CGEDMO C=CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000121567183 370873869 /nfs/dbraw/zinc/87/38/69/370873869.db2.gz RTULSPOZGLKBNK-JTQLQIEISA-N 1 1 286.297 3.150 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000121567183 370873873 /nfs/dbraw/zinc/87/38/73/370873873.db2.gz RTULSPOZGLKBNK-JTQLQIEISA-N 1 1 286.297 3.150 20 30 CGEDMO Cc1cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)ccc1C#N ZINC000488169483 243513727 /nfs/dbraw/zinc/51/37/27/243513727.db2.gz KBRMCDKEQYSHSD-CALCHBBNSA-N 1 1 254.377 3.489 20 30 CGEDMO CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000030144517 368901186 /nfs/dbraw/zinc/90/11/86/368901186.db2.gz SKKCOXRKCSPWMT-CQSZACIVSA-N 1 1 285.391 3.009 20 30 CGEDMO N#Cc1cccc(OCCC[N@H+]2CCc3sccc3C2)c1 ZINC000034673984 368976893 /nfs/dbraw/zinc/97/68/93/368976893.db2.gz MDPZJWFGHJJDSO-UHFFFAOYSA-N 1 1 298.411 3.447 20 30 CGEDMO C[N@H+](C/C=C\c1ccc(F)c(F)c1)CC(C)(C)C#N ZINC000574300333 335008809 /nfs/dbraw/zinc/00/88/09/335008809.db2.gz ANZWHEKKDBRJDA-PLNGDYQASA-N 1 1 264.319 3.460 20 30 CGEDMO C[N@@H+](C/C=C\c1ccc(F)c(F)c1)CC(C)(C)C#N ZINC000574300333 335008811 /nfs/dbraw/zinc/00/88/11/335008811.db2.gz ANZWHEKKDBRJDA-PLNGDYQASA-N 1 1 264.319 3.460 20 30 CGEDMO Cc1occc1C[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000048912776 369373185 /nfs/dbraw/zinc/37/31/85/369373185.db2.gz IZBBANGUKQKXIQ-UHFFFAOYSA-N 1 1 284.359 3.361 20 30 CGEDMO CC[N@H+]1CCC[C@@H]1CNc1cccc(Cl)c1C#N ZINC000048935794 369374771 /nfs/dbraw/zinc/37/47/71/369374771.db2.gz JXCLMSGVMASEQZ-LLVKDONJSA-N 1 1 263.772 3.108 20 30 CGEDMO C=CCC[N@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000276111325 193217381 /nfs/dbraw/zinc/21/73/81/193217381.db2.gz HVXBAJNXFXEIGZ-UHFFFAOYSA-N 1 1 259.328 3.224 20 30 CGEDMO C=CC[N@H+](CCc1ccnn1CC)Cc1cccc(C#N)c1 ZINC000276282500 193270523 /nfs/dbraw/zinc/27/05/23/193270523.db2.gz GELABCFFTWGJGT-UHFFFAOYSA-N 1 1 294.402 3.005 20 30 CGEDMO CCC(C)(C)[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000069433234 369760595 /nfs/dbraw/zinc/76/05/95/369760595.db2.gz RBBJFHHGRLRNJF-UHFFFAOYSA-N 1 1 273.380 3.007 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1cc(Cl)ccc1F ZINC000072553302 369823971 /nfs/dbraw/zinc/82/39/71/369823971.db2.gz VCDPAMXSVQHIKZ-UHFFFAOYSA-N 1 1 284.762 3.316 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1cc(Cl)ccc1F ZINC000072553302 369823977 /nfs/dbraw/zinc/82/39/77/369823977.db2.gz VCDPAMXSVQHIKZ-UHFFFAOYSA-N 1 1 284.762 3.316 20 30 CGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)CC1CCCC1 ZINC000070158355 369784097 /nfs/dbraw/zinc/78/40/97/369784097.db2.gz DSLQLYOZLRIEQY-ZDUSSCGKSA-N 1 1 285.391 3.007 20 30 CGEDMO C=C(Cl)C[NH2+][C@H](C)c1cnn(C(C)(C)C)c1C ZINC000276608842 193399043 /nfs/dbraw/zinc/39/90/43/193399043.db2.gz YXVLIKLDCIRCTD-SNVBAGLBSA-N 1 1 255.793 3.350 20 30 CGEDMO CC[C@@H](C)C[N@@H+](CC)Cc1ccc(OC)c(C#N)c1 ZINC000093251006 370113449 /nfs/dbraw/zinc/11/34/49/370113449.db2.gz IFDJUZQCPXBGBG-CYBMUJFWSA-N 1 1 260.381 3.435 20 30 CGEDMO CC[N@@H+](Cc1c[nH]nc1-c1ccc(C)cc1)C[C@@H](C)C#N ZINC000091982294 370083084 /nfs/dbraw/zinc/08/30/84/370083084.db2.gz IMUGRTLAEZMQFJ-AWEZNQCLSA-N 1 1 282.391 3.367 20 30 CGEDMO CC[N@H+](Cc1c[nH]nc1-c1ccc(C)cc1)C[C@@H](C)C#N ZINC000091982294 370083092 /nfs/dbraw/zinc/08/30/92/370083092.db2.gz IMUGRTLAEZMQFJ-AWEZNQCLSA-N 1 1 282.391 3.367 20 30 CGEDMO N#CCCCC[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000102396692 370302529 /nfs/dbraw/zinc/30/25/29/370302529.db2.gz RIFYQDJLXXUEIT-HNNXBMFYSA-N 1 1 285.391 3.031 20 30 CGEDMO C[N@@H+](CCc1cccs1)Cc1cc(C#N)ccc1F ZINC000111323459 370397675 /nfs/dbraw/zinc/39/76/75/370397675.db2.gz SCWBBQODQANAQV-UHFFFAOYSA-N 1 1 274.364 3.433 20 30 CGEDMO N#Cc1ccc(OCC[N@H+]2CCC[C@@H](C3CC3)C2)cc1 ZINC000344000039 217009926 /nfs/dbraw/zinc/00/99/26/217009926.db2.gz WSMCFCDFCIIANF-MRXNPFEDSA-N 1 1 270.376 3.059 20 30 CGEDMO C[C@H]1SCC[N@@H+](CCCC#N)[C@@H]1c1ccccc1 ZINC000118422165 370617136 /nfs/dbraw/zinc/61/71/36/370617136.db2.gz LUEXPMIJBCLOBT-HIFRSBDPSA-N 1 1 260.406 3.469 20 30 CGEDMO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000134228639 371313372 /nfs/dbraw/zinc/31/33/72/371313372.db2.gz RRKKLFOAHVDUOT-KUHUBIRLSA-N 1 1 292.382 3.382 20 30 CGEDMO CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccccc1C#N ZINC000134485488 371341970 /nfs/dbraw/zinc/34/19/70/371341970.db2.gz SASKCXWFZYNHJG-LJQANCHMSA-N 1 1 294.398 3.331 20 30 CGEDMO CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccccc1C#N ZINC000134485488 371341973 /nfs/dbraw/zinc/34/19/73/371341973.db2.gz SASKCXWFZYNHJG-LJQANCHMSA-N 1 1 294.398 3.331 20 30 CGEDMO Cc1cnc([C@H](C)[NH2+]Cc2cc(C#N)cs2)s1 ZINC000134909376 371373828 /nfs/dbraw/zinc/37/38/28/371373828.db2.gz NDTLCIJAHWCGOO-VIFPVBQESA-N 1 1 263.391 3.236 20 30 CGEDMO C[C@@H]1CCC[C@](C[NH2+]Cc2ccc(C#N)s2)(N(C)C)C1 ZINC000135685769 371444325 /nfs/dbraw/zinc/44/43/25/371444325.db2.gz DXIZTMQEPYWYFW-CJNGLKHVSA-N 1 1 291.464 3.220 20 30 CGEDMO Cc1ccc(C#N)c(N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000286528769 371513182 /nfs/dbraw/zinc/51/31/82/371513182.db2.gz CIPXZOFJFXIKSY-GOEBONIOSA-N 1 1 298.434 3.327 20 30 CGEDMO CC#CCC[N@@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000286714643 371542313 /nfs/dbraw/zinc/54/23/13/371542313.db2.gz AURJEQKIFGJQCH-CQSZACIVSA-N 1 1 273.380 3.278 20 30 CGEDMO CC#CCC[N@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000286714643 371542316 /nfs/dbraw/zinc/54/23/16/371542316.db2.gz AURJEQKIFGJQCH-CQSZACIVSA-N 1 1 273.380 3.278 20 30 CGEDMO C[C@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)CCC1(F)F ZINC000289946977 371860044 /nfs/dbraw/zinc/86/00/44/371860044.db2.gz VTNQFRFOGATDGB-JTQLQIEISA-N 1 1 268.282 3.174 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)CCC1(F)F ZINC000289946977 371860050 /nfs/dbraw/zinc/86/00/50/371860050.db2.gz VTNQFRFOGATDGB-JTQLQIEISA-N 1 1 268.282 3.174 20 30 CGEDMO C#CC[N@H+](Cc1cnc2c(cnn2C(C)C)c1)C1CCCC1 ZINC000155743501 371941265 /nfs/dbraw/zinc/94/12/65/371941265.db2.gz NEKVNLGRUYNKKM-UHFFFAOYSA-N 1 1 296.418 3.390 20 30 CGEDMO CC(C)[N@@H+](C)C[C@@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000290137100 371913389 /nfs/dbraw/zinc/91/33/89/371913389.db2.gz KIKCCIFBJHFGSE-OLZOCXBDSA-N 1 1 277.387 3.077 20 30 CGEDMO CC(C)N(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000290137100 371913395 /nfs/dbraw/zinc/91/33/95/371913395.db2.gz KIKCCIFBJHFGSE-OLZOCXBDSA-N 1 1 277.387 3.077 20 30 CGEDMO C[N@@H+](CC#Cc1cccc(Cl)c1)C[C@@H]1CCCCO1 ZINC000156306185 371972096 /nfs/dbraw/zinc/97/20/96/371972096.db2.gz AWRVQVQAHLQDNC-INIZCTEOSA-N 1 1 277.795 3.192 20 30 CGEDMO C[N@@H+](CC#Cc1ccccc1Cl)CCc1nccs1 ZINC000157923835 372044154 /nfs/dbraw/zinc/04/41/54/372044154.db2.gz JHIDQNXVNAXDFW-UHFFFAOYSA-N 1 1 290.819 3.323 20 30 CGEDMO C[N@H+](CC#Cc1ccccc1Cl)CCc1nccs1 ZINC000157923835 372044158 /nfs/dbraw/zinc/04/41/58/372044158.db2.gz JHIDQNXVNAXDFW-UHFFFAOYSA-N 1 1 290.819 3.323 20 30 CGEDMO CCCCCCC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000158035449 372048139 /nfs/dbraw/zinc/04/81/39/372048139.db2.gz BKYRZVUYRSDNLS-SFHVURJKSA-N 1 1 295.515 3.059 20 30 CGEDMO CCCCCCCN1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000158035449 372048143 /nfs/dbraw/zinc/04/81/43/372048143.db2.gz BKYRZVUYRSDNLS-SFHVURJKSA-N 1 1 295.515 3.059 20 30 CGEDMO CCCCCCCN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000158035449 372048147 /nfs/dbraw/zinc/04/81/47/372048147.db2.gz BKYRZVUYRSDNLS-SFHVURJKSA-N 1 1 295.515 3.059 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000158941656 372091855 /nfs/dbraw/zinc/09/18/55/372091855.db2.gz ZDSMWRNJPIFSBI-OAHLLOKOSA-N 1 1 271.408 3.411 20 30 CGEDMO CC[C@@]1(C)CC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000344220601 217105311 /nfs/dbraw/zinc/10/53/11/217105311.db2.gz OJBUOAYVGBCQPW-DYVFJYSZSA-N 1 1 285.391 3.007 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cccc(OCCOC)c1 ZINC000158992118 372097240 /nfs/dbraw/zinc/09/72/40/372097240.db2.gz QZIYRERDCHBRJJ-UHFFFAOYSA-N 1 1 263.381 3.110 20 30 CGEDMO C#CCCOc1ccc(C[N@H+](C(C)C)[C@@H]2CCOC2)cc1 ZINC000291233568 372143774 /nfs/dbraw/zinc/14/37/74/372143774.db2.gz KOFIDKONRXFERB-QGZVFWFLSA-N 1 1 287.403 3.088 20 30 CGEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159590289 372159297 /nfs/dbraw/zinc/15/92/97/372159297.db2.gz PHOQUMXVKXBHBG-YOEHRIQHSA-N 1 1 297.402 3.151 20 30 CGEDMO C=CCc1cc(C[N@@H+](C)[C@@H]2CC2(C)C)cc(OC)c1O ZINC000426558824 372165023 /nfs/dbraw/zinc/16/50/23/372165023.db2.gz WDHKGUJSUTYVCO-OAHLLOKOSA-N 1 1 275.392 3.360 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1cc(-n2ccnc2)cs1 ZINC000426559772 372165391 /nfs/dbraw/zinc/16/53/91/372165391.db2.gz NGEZUUVGXMEEGX-ZDUSSCGKSA-N 1 1 273.405 3.474 20 30 CGEDMO C=C(C)CC[N@@H+](CC1CC1)[C@](C)(CC)C(=O)OC ZINC000425505864 372129563 /nfs/dbraw/zinc/12/95/63/372129563.db2.gz BSEIXTQMPITTPU-OAHLLOKOSA-N 1 1 253.386 3.006 20 30 CGEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)s2)cc1 ZINC000159866479 372188418 /nfs/dbraw/zinc/18/84/18/372188418.db2.gz FTGKEHOOZGCVBP-UHFFFAOYSA-N 1 1 272.373 3.260 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Br)[C@H]1C ZINC000292905062 372243310 /nfs/dbraw/zinc/24/33/10/372243310.db2.gz DZHPEOATAJMTGZ-ZJUUUORDSA-N 1 1 279.181 3.161 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)[C@H]1C ZINC000292905062 372243314 /nfs/dbraw/zinc/24/33/14/372243314.db2.gz DZHPEOATAJMTGZ-ZJUUUORDSA-N 1 1 279.181 3.161 20 30 CGEDMO CC(C)C[C@]1(CO)CCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428938775 372285129 /nfs/dbraw/zinc/28/51/29/372285129.db2.gz BSEMAHOXWVMSKF-KRWDZBQOSA-N 1 1 290.382 3.070 20 30 CGEDMO C=CC[N@H+](CCOC)C[C@H](OC(C)C)c1ccccc1 ZINC000428942103 372285445 /nfs/dbraw/zinc/28/54/45/372285445.db2.gz MNISXHHHIIJNAD-KRWDZBQOSA-N 1 1 277.408 3.287 20 30 CGEDMO CC(C)[C@@H]1C[N@H+]([C@H](C)c2cccc(C#N)c2)CCCO1 ZINC000293158653 372313578 /nfs/dbraw/zinc/31/35/78/372313578.db2.gz ORPTVGJFVYCLMY-PBHICJAKSA-N 1 1 272.392 3.366 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000429224319 372324172 /nfs/dbraw/zinc/32/41/72/372324172.db2.gz BBLJOWLYSYLIGP-GOEBONIOSA-N 1 1 251.414 3.480 20 30 CGEDMO C=CCCC[C@@H](C)[N@@H+](C)Cc1cn2c(n1)CCCC2 ZINC000429538666 372373277 /nfs/dbraw/zinc/37/32/77/372373277.db2.gz IKVOAKUTTKYNNJ-CQSZACIVSA-N 1 1 261.413 3.396 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000293489917 372394264 /nfs/dbraw/zinc/39/42/64/372394264.db2.gz YVNHUFKCROSDRU-DNVCBOLYSA-N 1 1 294.398 3.155 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000293732261 372465117 /nfs/dbraw/zinc/46/51/17/372465117.db2.gz GSMHJJMXBRGUTR-INIZCTEOSA-N 1 1 291.366 3.066 20 30 CGEDMO C=CC[NH+](CC=C)CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000052869062 541877108 /nfs/dbraw/zinc/87/71/08/541877108.db2.gz GRHWAIXMNZGZLH-UHFFFAOYSA-N 1 1 298.839 3.034 20 30 CGEDMO Cc1ccc(C)c(OCC[N@@H+](C)CC(C)(C)C#N)c1 ZINC000433303908 372588316 /nfs/dbraw/zinc/58/83/16/372588316.db2.gz MDWGCAGMOHHBLT-UHFFFAOYSA-N 1 1 260.381 3.164 20 30 CGEDMO Cc1ccc(C)c(OCC[N@H+](C)CC(C)(C)C#N)c1 ZINC000433303908 372588324 /nfs/dbraw/zinc/58/83/24/372588324.db2.gz MDWGCAGMOHHBLT-UHFFFAOYSA-N 1 1 260.381 3.164 20 30 CGEDMO CO[C@H]1CC[N@H+]([C@@H](C)c2ccc(C#N)cc2)CC1(C)C ZINC000295150969 372696487 /nfs/dbraw/zinc/69/64/87/372696487.db2.gz AGKOVWLMWGCGKI-BBRMVZONSA-N 1 1 272.392 3.366 20 30 CGEDMO N#Cc1cccc(CNC[C@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000435740564 372799286 /nfs/dbraw/zinc/79/92/86/372799286.db2.gz FHVQVJSHUBCZQX-LJQANCHMSA-N 1 1 297.446 3.445 20 30 CGEDMO N#Cc1cccc(C[NH2+]C[C@H]2CCCN2C2CCCCC2)c1 ZINC000435740564 372799289 /nfs/dbraw/zinc/79/92/89/372799289.db2.gz FHVQVJSHUBCZQX-LJQANCHMSA-N 1 1 297.446 3.445 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC=C(C)C2)cc1OC ZINC000437353208 372846959 /nfs/dbraw/zinc/84/69/59/372846959.db2.gz PJUFFYJMNZYQNQ-UHFFFAOYSA-N 1 1 273.376 3.412 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCC[C@]3(CCCOC3)C2)cc1 ZINC000437570908 372851891 /nfs/dbraw/zinc/85/18/91/372851891.db2.gz RIOAPIUCGBQZIE-SFHVURJKSA-N 1 1 287.378 3.070 20 30 CGEDMO C[C@H](c1ccncc1)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000171963243 372869660 /nfs/dbraw/zinc/86/96/60/372869660.db2.gz RWEODZRBCDHFFT-CQSZACIVSA-N 1 1 281.359 3.025 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)c1 ZINC000438367874 372944263 /nfs/dbraw/zinc/94/42/63/372944263.db2.gz YCWDRNSTGNFZOX-KKUMJFAQSA-N 1 1 275.392 3.249 20 30 CGEDMO Clc1cccc(C#CC[N@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000438531496 372968119 /nfs/dbraw/zinc/96/81/19/372968119.db2.gz NXJDEBCRVYKNLP-GASCZTMLSA-N 1 1 259.780 3.423 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000441092715 372997864 /nfs/dbraw/zinc/99/78/64/372997864.db2.gz WTCXBDWXDDWGLC-IRXDYDNUSA-N 1 1 273.420 3.439 20 30 CGEDMO CCC(C)(C)[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000441632088 373030612 /nfs/dbraw/zinc/03/06/12/373030612.db2.gz GLVCYOFUAGQFFX-INIZCTEOSA-N 1 1 299.418 3.397 20 30 CGEDMO C=CCCCCC[N@H+](C)CCC(=O)N1CCC[C@H]1C ZINC000441456829 373018456 /nfs/dbraw/zinc/01/84/56/373018456.db2.gz ILFZHMCLZIBYFN-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000441482180 373021088 /nfs/dbraw/zinc/02/10/88/373021088.db2.gz BZDSPIMHOTZNFP-PMPSAXMXSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000441482178 373021638 /nfs/dbraw/zinc/02/16/38/373021638.db2.gz BZDSPIMHOTZNFP-OAGGEKHMSA-N 1 1 278.440 3.064 20 30 CGEDMO CC[NH+](CC)[C@H](CN[C@@H]1CC[C@H](C#N)C1)CC(C)C ZINC000442710484 373066854 /nfs/dbraw/zinc/06/68/54/373066854.db2.gz CQDMUWDDOBCJQO-XHSDSOJGSA-N 1 1 265.445 3.025 20 30 CGEDMO C[N@@H+](CCc1cccc(N[C@@H]2CC[C@@H](C#N)C2)c1)C1CC1 ZINC000442815170 373093956 /nfs/dbraw/zinc/09/39/56/373093956.db2.gz CEJCWTQBGXVHMQ-NVXWUHKLSA-N 1 1 283.419 3.427 20 30 CGEDMO CC[NH+](CC)[C@H](CN[C@H]1CC[C@@H](C#N)C1)Cc1ccccc1 ZINC000442716608 373070139 /nfs/dbraw/zinc/07/01/39/373070139.db2.gz OKLHRXINVALGDX-QYZOEREBSA-N 1 1 299.462 3.221 20 30 CGEDMO CCC(CC)[C@H](CN[C@@H]1CC[C@H](C#N)C1)[NH+]1CCCC1 ZINC000442723327 373070731 /nfs/dbraw/zinc/07/07/31/373070731.db2.gz WULRNNPMVCCWCE-UAGQMJEPSA-N 1 1 277.456 3.169 20 30 CGEDMO CCC(CC)[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)N1CCCC1 ZINC000442723327 373070739 /nfs/dbraw/zinc/07/07/39/373070739.db2.gz WULRNNPMVCCWCE-UAGQMJEPSA-N 1 1 277.456 3.169 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2ncc(C)cn2)CCCC1(C)C ZINC000444785559 373273925 /nfs/dbraw/zinc/27/39/25/373273925.db2.gz YOILREUQRUFENF-CQSZACIVSA-N 1 1 259.397 3.352 20 30 CGEDMO C=CC[C@@H]1[N@H+](CCOCC2CC2)CCCC1(C)C ZINC000444785594 373275769 /nfs/dbraw/zinc/27/57/69/373275769.db2.gz YSIZROYTWUWQQN-HNNXBMFYSA-N 1 1 251.414 3.480 20 30 CGEDMO CC(C)(C)[C@H]1CC[N@@H+](CCCCC(C)(C)C#N)C[C@H]1O ZINC000444675192 373229954 /nfs/dbraw/zinc/22/99/54/373229954.db2.gz MTOUXDHVPZXSHK-LSDHHAIUSA-N 1 1 280.456 3.435 20 30 CGEDMO C[C@H]1CC[C@@](CO)([N@@H+](C)CCCCC(C)(C)C#N)C1 ZINC000444687748 373237407 /nfs/dbraw/zinc/23/74/07/373237407.db2.gz WJRVANIYLQBMHW-GOEBONIOSA-N 1 1 266.429 3.189 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000296814559 373248391 /nfs/dbraw/zinc/24/83/91/373248391.db2.gz VEJWRICSVOTOSE-LSDHHAIUSA-N 1 1 283.419 3.035 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCN(C2CC2)C[C@@H](C)C1 ZINC000296814559 373248397 /nfs/dbraw/zinc/24/83/97/373248397.db2.gz VEJWRICSVOTOSE-LSDHHAIUSA-N 1 1 283.419 3.035 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCN(C2CC2)C[C@@H](C)C1 ZINC000296814559 373248402 /nfs/dbraw/zinc/24/84/02/373248402.db2.gz VEJWRICSVOTOSE-LSDHHAIUSA-N 1 1 283.419 3.035 20 30 CGEDMO C=CC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000297039556 373254702 /nfs/dbraw/zinc/25/47/02/373254702.db2.gz ODTSIIDNGIZQKQ-HQSKLWIPSA-N 1 1 298.430 3.088 20 30 CGEDMO CCC[C@@]1(CO)CCC[N@H+]1CCCCC(C)(C)C#N ZINC000444764952 373264369 /nfs/dbraw/zinc/26/43/69/373264369.db2.gz CRBHGRWESJWILO-INIZCTEOSA-N 1 1 266.429 3.333 20 30 CGEDMO CC(C)[C@H]1C[N@H+](Cc2cc(C#N)ccc2F)CCS1 ZINC000174331379 373292938 /nfs/dbraw/zinc/29/29/38/373292938.db2.gz WTWMOFDOJOUWBH-OAHLLOKOSA-N 1 1 278.396 3.271 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CCS1 ZINC000174331379 373292939 /nfs/dbraw/zinc/29/29/39/373292939.db2.gz WTWMOFDOJOUWBH-OAHLLOKOSA-N 1 1 278.396 3.271 20 30 CGEDMO Cc1ccccc1C[C@@H](C)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000447090692 373404109 /nfs/dbraw/zinc/40/41/09/373404109.db2.gz MDILAHCUISZGME-OAHLLOKOSA-N 1 1 281.403 3.268 20 30 CGEDMO CCCN1CCC([NH2+][C@@H](CC)c2ccc(C#N)cc2)CC1 ZINC000447516900 373441189 /nfs/dbraw/zinc/44/11/89/373441189.db2.gz QNHQJYUWQPKRPH-SFHVURJKSA-N 1 1 285.435 3.473 20 30 CGEDMO CCC[NH+]1CCC(N[C@@H](CC)c2ccc(C#N)cc2)CC1 ZINC000447516900 373441199 /nfs/dbraw/zinc/44/11/99/373441199.db2.gz QNHQJYUWQPKRPH-SFHVURJKSA-N 1 1 285.435 3.473 20 30 CGEDMO N#CCCCC[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000175821340 373525358 /nfs/dbraw/zinc/52/53/58/373525358.db2.gz FURHFMXUGCXZNA-KBPBESRZSA-N 1 1 278.421 3.330 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CCCCC1 ZINC000448709181 373636769 /nfs/dbraw/zinc/63/67/69/373636769.db2.gz OOIFHGCSSXMQIJ-CVEARBPZSA-N 1 1 290.451 3.256 20 30 CGEDMO CN(C)CC[C@H]([NH2+]C1CCC(C)(C#N)CC1)C(C)(C)C ZINC000449145405 373666496 /nfs/dbraw/zinc/66/64/96/373666496.db2.gz XTWMIULKDSXKHC-CKDBGZEDSA-N 1 1 279.472 3.415 20 30 CGEDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)Nc1cccc(F)c1C#N ZINC000301137621 373673905 /nfs/dbraw/zinc/67/39/05/373673905.db2.gz CVRHXZBAWLUCJI-QWHCGFSZSA-N 1 1 275.371 3.230 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCNc1cc(Cl)ccc1C#N ZINC000301266965 373721233 /nfs/dbraw/zinc/72/12/33/373721233.db2.gz ICZNIBJPPYTZGZ-LBPRGKRZSA-N 1 1 277.799 3.498 20 30 CGEDMO CCCC[N@H+]1CCCC[C@@H]1CNc1cccc(C#N)n1 ZINC000301275626 373725553 /nfs/dbraw/zinc/72/55/53/373725553.db2.gz LUKADEKDWHYXCX-OAHLLOKOSA-N 1 1 272.396 3.020 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCNc1c(C#N)cnc2ccccc21 ZINC000301354367 373756537 /nfs/dbraw/zinc/75/65/37/373756537.db2.gz KBFJHRDFSNQEJJ-AWEZNQCLSA-N 1 1 294.402 3.393 20 30 CGEDMO C=CCC[C@H]([NH2+][C@H]1CC[C@@H]1C1CCC1)C(=O)OCC ZINC000449656077 373837692 /nfs/dbraw/zinc/83/76/92/373837692.db2.gz JCTZYVDPHCCPPD-ILXRZTDVSA-N 1 1 265.397 3.053 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000449687649 373840688 /nfs/dbraw/zinc/84/06/88/373840688.db2.gz QPQATWVWBHSUFD-GOSISDBHSA-N 1 1 287.403 3.254 20 30 CGEDMO C=CCC[C@H](CO)[NH2+][C@@H](CCc1ccccc1)C(F)F ZINC000449700751 373846609 /nfs/dbraw/zinc/84/66/09/373846609.db2.gz UUTWACGFRDKTJD-CABCVRRESA-N 1 1 283.362 3.170 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)CCCC1 ZINC000449796406 373928279 /nfs/dbraw/zinc/92/82/79/373928279.db2.gz TZQQNNMWPYDTGM-CQSZACIVSA-N 1 1 289.423 3.080 20 30 CGEDMO CC(C)C[N@H+]1CCC[C@H](CNc2c(C#N)cccc2C#N)C1 ZINC000302882028 373995968 /nfs/dbraw/zinc/99/59/68/373995968.db2.gz JMPNGOGMMPEHJV-OAHLLOKOSA-N 1 1 296.418 3.210 20 30 CGEDMO CCCC[N@H+]1CCCC[C@@H]1CNc1c(C#N)cccc1C#N ZINC000302883616 373996071 /nfs/dbraw/zinc/99/60/71/373996071.db2.gz LAFBZOIDZIJJBK-QGZVFWFLSA-N 1 1 296.418 3.496 20 30 CGEDMO N#CC1(C[N@H+]2CCC[C@@H]2Cc2ccccc2)CCC1 ZINC000450225829 374008392 /nfs/dbraw/zinc/00/83/92/374008392.db2.gz HNOMDPBZNRBTTH-MRXNPFEDSA-N 1 1 254.377 3.387 20 30 CGEDMO C=CCC1(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC000449987081 373980410 /nfs/dbraw/zinc/98/04/10/373980410.db2.gz PRKDGAGGQVVNOG-JKSUJKDBSA-N 1 1 292.467 3.454 20 30 CGEDMO COc1cccc2c1CC[N@H+](Cc1cc(C#N)cs1)C2 ZINC000180787588 374046563 /nfs/dbraw/zinc/04/65/63/374046563.db2.gz GSNPKIBWLYADBH-UHFFFAOYSA-N 1 1 284.384 3.187 20 30 CGEDMO COc1cccc2c1CC[N@@H+](Cc1cc(C#N)cs1)C2 ZINC000180787588 374046573 /nfs/dbraw/zinc/04/65/73/374046573.db2.gz GSNPKIBWLYADBH-UHFFFAOYSA-N 1 1 284.384 3.187 20 30 CGEDMO C[C@@H]1C[C@H](N[C@@H](CCC#N)c2ccccc2)CC[N@H+]1C ZINC000181574781 374142443 /nfs/dbraw/zinc/14/24/43/374142443.db2.gz JQMIHSWCZRFBMK-OIISXLGYSA-N 1 1 271.408 3.104 20 30 CGEDMO C[C@H](NC[C@H](C)[NH+]1CCC(C)CC1)c1ccc(C#N)cc1 ZINC000181624352 374147707 /nfs/dbraw/zinc/14/77/07/374147707.db2.gz OTVFWWPEOYJIMG-HOTGVXAUSA-N 1 1 285.435 3.329 20 30 CGEDMO COC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000307783833 374152066 /nfs/dbraw/zinc/15/20/66/374152066.db2.gz RGENDVLOPMQZNT-AWEZNQCLSA-N 1 1 278.783 3.213 20 30 CGEDMO CC(C)(C)C[C@@H]1CC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000307778458 374152090 /nfs/dbraw/zinc/15/20/90/374152090.db2.gz QZXMFQUQHBUKNW-AWEZNQCLSA-N 1 1 257.381 3.211 20 30 CGEDMO C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(C#N)c1 ZINC000181860044 374183657 /nfs/dbraw/zinc/18/36/57/374183657.db2.gz XCIRODXSAPEBMF-XKQJLSEDSA-N 1 1 271.408 3.082 20 30 CGEDMO N#CC1(C[N@H+](CCCO)Cc2cccc(Cl)c2)CCC1 ZINC000450582350 374163067 /nfs/dbraw/zinc/16/30/67/374163067.db2.gz HJWLHCAMYGGYHW-UHFFFAOYSA-N 1 1 292.810 3.218 20 30 CGEDMO N#CC1(C[N@@H+](CCCO)Cc2cccc(Cl)c2)CCC1 ZINC000450582350 374163078 /nfs/dbraw/zinc/16/30/78/374163078.db2.gz HJWLHCAMYGGYHW-UHFFFAOYSA-N 1 1 292.810 3.218 20 30 CGEDMO C=CC[NH2+]C(C)(C)c1nc(C(F)(F)F)cs1 ZINC000309346532 374184631 /nfs/dbraw/zinc/18/46/31/374184631.db2.gz LTUFBMPNDJSODD-UHFFFAOYSA-N 1 1 250.289 3.173 20 30 CGEDMO CCCC[N@H+](CC#Cc1ccc(Cl)cc1)CCCO ZINC000182163581 374228213 /nfs/dbraw/zinc/22/82/13/374228213.db2.gz JTZCRDUWRYBVFA-UHFFFAOYSA-N 1 1 279.811 3.176 20 30 CGEDMO C[C@H]1CCC[C@@H]([N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000314908459 374322694 /nfs/dbraw/zinc/32/26/94/374322694.db2.gz GCOHAIMWUHPMKA-WMLDXEAASA-N 1 1 299.418 3.397 20 30 CGEDMO CC1CCC([N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000314918332 374322836 /nfs/dbraw/zinc/32/28/36/374322836.db2.gz HIHQRGQXCGALMQ-UHFFFAOYSA-N 1 1 299.418 3.397 20 30 CGEDMO C[C@@H]1CCC[C@H]([N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000315024589 374325426 /nfs/dbraw/zinc/32/54/26/374325426.db2.gz UNEKGZFMFBWZFU-PBHICJAKSA-N 1 1 299.418 3.397 20 30 CGEDMO C[C@H](C1CCC1)[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000325556019 374358083 /nfs/dbraw/zinc/35/80/83/374358083.db2.gz LKDQKEGGLYAOLS-CYBMUJFWSA-N 1 1 285.391 3.007 20 30 CGEDMO C=CCOc1ccc(C[NH2+]C[C@@H](C)C#N)cc1Cl ZINC000183837335 374464243 /nfs/dbraw/zinc/46/42/43/374464243.db2.gz FOVMZJJVMAMVRA-NSHDSACASA-N 1 1 264.756 3.154 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](C)Cc2ccncc2)c1 ZINC000183736937 374448865 /nfs/dbraw/zinc/44/88/65/374448865.db2.gz MINJLJKKRQIVTI-UHFFFAOYSA-N 1 1 268.360 3.278 20 30 CGEDMO CC[C@@H]1[C@H](C)CC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000331100078 374504931 /nfs/dbraw/zinc/50/49/31/374504931.db2.gz CRTACZZFOUOSKH-CZUORRHYSA-N 1 1 285.391 3.007 20 30 CGEDMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000332157502 374557183 /nfs/dbraw/zinc/55/71/83/374557183.db2.gz UQCXJFKHZIPWOX-DOMZBBRYSA-N 1 1 296.374 3.229 20 30 CGEDMO Cc1cc([C@@H]2CCC[N@H+]2CCCC(C)(C)C#N)on1 ZINC000332409011 374571504 /nfs/dbraw/zinc/57/15/04/374571504.db2.gz ZFEYJMXZGVRFPL-ZDUSSCGKSA-N 1 1 261.369 3.450 20 30 CGEDMO C=C(C)C[NH2+][C@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000185076200 374584644 /nfs/dbraw/zinc/58/46/44/374584644.db2.gz BJBFEVRTZHSYSR-SNVBAGLBSA-N 1 1 261.300 3.102 20 30 CGEDMO CC[C@@H]1[C@H](C)CC[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000185601082 374695992 /nfs/dbraw/zinc/69/59/92/374695992.db2.gz MFGAJFMWEYIUIL-UKRRQHHQSA-N 1 1 288.391 3.066 20 30 CGEDMO CC1(C)C[N@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1[C@@H]1CCCO1 ZINC000334153919 374652198 /nfs/dbraw/zinc/65/21/98/374652198.db2.gz PTXMLGZENSREBK-JKSUJKDBSA-N 1 1 288.366 3.087 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1[C@@H]1CCCO1 ZINC000334153919 374652204 /nfs/dbraw/zinc/65/22/04/374652204.db2.gz PTXMLGZENSREBK-JKSUJKDBSA-N 1 1 288.366 3.087 20 30 CGEDMO C=C(C)CN1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000185437406 374662539 /nfs/dbraw/zinc/66/25/39/374662539.db2.gz BSBPEYKOXZJNNJ-ZDUSSCGKSA-N 1 1 250.411 3.003 20 30 CGEDMO CC[C@@H]1[C@H](C)CC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000185666987 374707835 /nfs/dbraw/zinc/70/78/35/374707835.db2.gz DDLXNJXOSVMMIA-CZUORRHYSA-N 1 1 285.391 3.007 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000334608691 374901320 /nfs/dbraw/zinc/90/13/20/374901320.db2.gz ZUQRIYQQRZFGST-KBXCAEBGSA-N 1 1 284.403 3.368 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000467290690 374973363 /nfs/dbraw/zinc/97/33/63/374973363.db2.gz YWFADNIKTXTZCI-INIZCTEOSA-N 1 1 291.435 3.232 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000467279672 374974732 /nfs/dbraw/zinc/97/47/32/374974732.db2.gz SWYNBLOJONELTE-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO CC[N@@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)C[C@@H](C)C#N ZINC000470176482 374995735 /nfs/dbraw/zinc/99/57/35/374995735.db2.gz WRCWBCDYMLKKGC-CZAWJFPGSA-N 1 1 287.363 3.480 20 30 CGEDMO CC[N@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)C[C@@H](C)C#N ZINC000470176482 374995738 /nfs/dbraw/zinc/99/57/38/374995738.db2.gz WRCWBCDYMLKKGC-CZAWJFPGSA-N 1 1 287.363 3.480 20 30 CGEDMO C=CCOCCC[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000470768301 374998630 /nfs/dbraw/zinc/99/86/30/374998630.db2.gz ZMRMMKHEYKEPLO-KRWDZBQOSA-N 1 1 274.408 3.156 20 30 CGEDMO C[N@@H+](Cc1ccc(Cl)cc1C#N)[C@H]1CCSC1 ZINC000187334746 375005343 /nfs/dbraw/zinc/00/53/43/375005343.db2.gz MOBYTUYUCJRLSB-ZDUSSCGKSA-N 1 1 266.797 3.149 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1C ZINC000472723532 375031916 /nfs/dbraw/zinc/03/19/16/375031916.db2.gz GDWQGPUDVAETHZ-MSOLQXFVSA-N 1 1 273.420 3.329 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]1Cc1ccc(C)cc1 ZINC000472737768 375032408 /nfs/dbraw/zinc/03/24/08/375032408.db2.gz RCLKGFSYWOSSCL-MSOLQXFVSA-N 1 1 273.420 3.329 20 30 CGEDMO CCOC[C@H]1CCC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187691568 375073081 /nfs/dbraw/zinc/07/30/81/375073081.db2.gz HZZKECYEMZANQL-HOCLYGCPSA-N 1 1 272.392 3.368 20 30 CGEDMO C=C(C)[C@@H]([NH2+]CC(=O)N[C@@H](C)CC)c1ccc(F)c(F)c1 ZINC000187764262 375089493 /nfs/dbraw/zinc/08/94/93/375089493.db2.gz RLGHQKGEZNECMU-MEDUHNTESA-N 1 1 296.361 3.086 20 30 CGEDMO C[N@@H+](CC#Cc1ccccc1Cl)C[C@H]1CCCC[C@@H]1O ZINC000481348058 375163604 /nfs/dbraw/zinc/16/36/04/375163604.db2.gz MXVDJMZCOBUIIX-WBVHZDCISA-N 1 1 291.822 3.174 20 30 CGEDMO C[C@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000335144701 375172075 /nfs/dbraw/zinc/17/20/75/375172075.db2.gz MVPUIIJPEYIBRG-PIGZYNQJSA-N 1 1 282.318 3.309 20 30 CGEDMO C=CC[N@@H+](C/C=C/c1ccc(Cl)cc1)CCOC ZINC000483425321 375180926 /nfs/dbraw/zinc/18/09/26/375180926.db2.gz IEWIYKJLFWNINQ-SNAWJCMRSA-N 1 1 265.784 3.488 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@]1(Cc1ccccc1)C(=O)OCC ZINC000484296975 375187737 /nfs/dbraw/zinc/18/77/37/375187737.db2.gz GSGPTCPUPZKSAU-SFHVURJKSA-N 1 1 287.403 3.203 20 30 CGEDMO COCC[N@@H+](Cc1ccc(CC#N)cc1)[C@H]1CCC[C@H]1C ZINC000488019991 375296429 /nfs/dbraw/zinc/29/64/29/375296429.db2.gz AZYGFGGCINRORC-QAPCUYQASA-N 1 1 286.419 3.390 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@H](Oc2ccccn2)C1 ZINC000488196300 375306679 /nfs/dbraw/zinc/30/66/79/375306679.db2.gz GTPGFELPLRRFKU-HNNXBMFYSA-N 1 1 260.381 3.281 20 30 CGEDMO CCC[N@@H+](CC[C@@H]1CCCO1)Cc1ccc(C#N)cc1 ZINC000188737412 375262787 /nfs/dbraw/zinc/26/27/87/375262787.db2.gz RWXGBLOLRPKKQZ-KRWDZBQOSA-N 1 1 272.392 3.339 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)Nc1ccccc1 ZINC000189226728 375343529 /nfs/dbraw/zinc/34/35/29/375343529.db2.gz AMVBSFONCCWTEN-AWEZNQCLSA-N 1 1 293.370 3.190 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)Nc1ccccc1 ZINC000189226728 375343531 /nfs/dbraw/zinc/34/35/31/375343531.db2.gz AMVBSFONCCWTEN-AWEZNQCLSA-N 1 1 293.370 3.190 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+](C)C/C(C)=C/c1ccccc1 ZINC000494242873 375486861 /nfs/dbraw/zinc/48/68/61/375486861.db2.gz WBQXQLXPDRUBND-SAPNQHFASA-N 1 1 298.430 3.222 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+](C)C/C(C)=C/c1ccccc1 ZINC000494242873 375486868 /nfs/dbraw/zinc/48/68/68/375486868.db2.gz WBQXQLXPDRUBND-SAPNQHFASA-N 1 1 298.430 3.222 20 30 CGEDMO C=CC[N@@H+](C)CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000494640027 375490054 /nfs/dbraw/zinc/49/00/54/375490054.db2.gz YXGLKWONSQVIOT-UHFFFAOYSA-N 1 1 286.419 3.470 20 30 CGEDMO C=CC[N@H+](C)CC(=O)N(c1ccccc1)C1CCCCC1 ZINC000494640027 375490058 /nfs/dbraw/zinc/49/00/58/375490058.db2.gz YXGLKWONSQVIOT-UHFFFAOYSA-N 1 1 286.419 3.470 20 30 CGEDMO C[C@H]1[C@H](C)[N@@H+](CCCCC#N)CCN1C(=O)OC(C)(C)C ZINC000494713607 375491448 /nfs/dbraw/zinc/49/14/48/375491448.db2.gz WUTIAQYIHAKZST-KBPBESRZSA-N 1 1 295.427 3.010 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000495749390 375502063 /nfs/dbraw/zinc/50/20/63/375502063.db2.gz XCDDOIDESXRFRG-UONOGXRCSA-N 1 1 282.428 3.188 20 30 CGEDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1nc(C#N)cs1 ZINC000336012526 375617026 /nfs/dbraw/zinc/61/70/26/375617026.db2.gz CDGNXLOLTVKSRI-TZMCWYRMSA-N 1 1 283.400 3.393 20 30 CGEDMO C=C[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000499221582 375629918 /nfs/dbraw/zinc/62/99/18/375629918.db2.gz ZWWOMEZGABWLAD-OWLYRPNTSA-N 1 1 270.420 3.346 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@]3(CC=CCC3)C2)cc1C#N ZINC000191368267 375619215 /nfs/dbraw/zinc/61/92/15/375619215.db2.gz GKYUFVQRPSDOLR-QGZVFWFLSA-N 1 1 269.392 3.219 20 30 CGEDMO CCC[C@@H]1[C@H](C)CCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191414944 375626852 /nfs/dbraw/zinc/62/68/52/375626852.db2.gz LZBZIBOYWTUKJU-CZUORRHYSA-N 1 1 259.397 3.297 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000121145463 542014975 /nfs/dbraw/zinc/01/49/75/542014975.db2.gz WXCIEGIXVUFGTE-CQSZACIVSA-N 1 1 287.325 3.464 20 30 CGEDMO CC[C@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CCS1 ZINC000192049365 375694551 /nfs/dbraw/zinc/69/45/51/375694551.db2.gz SVYSHXAGOVLCQB-ZDUSSCGKSA-N 1 1 264.369 3.025 20 30 CGEDMO CC[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CCS1 ZINC000192049365 375694558 /nfs/dbraw/zinc/69/45/58/375694558.db2.gz SVYSHXAGOVLCQB-ZDUSSCGKSA-N 1 1 264.369 3.025 20 30 CGEDMO C[N@H+](Cc1cccc(Br)c1)CC(C)(C)C#N ZINC000258827523 572342804 /nfs/dbraw/zinc/34/28/04/572342804.db2.gz AXKHGAAJTLUODN-UHFFFAOYSA-N 1 1 281.197 3.431 20 30 CGEDMO C[N@@H+](Cc1cccc(Br)c1)CC(C)(C)C#N ZINC000258827523 572342808 /nfs/dbraw/zinc/34/28/08/572342808.db2.gz AXKHGAAJTLUODN-UHFFFAOYSA-N 1 1 281.197 3.431 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000509664105 375781763 /nfs/dbraw/zinc/78/17/63/375781763.db2.gz GJFBBCBHGNSGAP-KRWDZBQOSA-N 1 1 286.419 3.237 20 30 CGEDMO C[C@@H]1C[C@H](c2cccnc2)[N@H+](CC2(C#N)CCC2)C1 ZINC000336262000 375766896 /nfs/dbraw/zinc/76/68/96/375766896.db2.gz YZQMIBYWSRFUSI-UKRRQHHQSA-N 1 1 255.365 3.158 20 30 CGEDMO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](CC2(C#N)CCC2)C1 ZINC000336262000 375766900 /nfs/dbraw/zinc/76/69/00/375766900.db2.gz YZQMIBYWSRFUSI-UKRRQHHQSA-N 1 1 255.365 3.158 20 30 CGEDMO C=C(C)CC[N@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000512151468 375795247 /nfs/dbraw/zinc/79/52/47/375795247.db2.gz YSIDFEOCWCQAPV-UHFFFAOYSA-N 1 1 271.364 3.177 20 30 CGEDMO C=CC[N@@H+](Cc1cc(C(=O)OC)ccc1Cl)C1CC1 ZINC000511180076 375790360 /nfs/dbraw/zinc/79/03/60/375790360.db2.gz BIQIIDRZEVEMOX-UHFFFAOYSA-N 1 1 279.767 3.277 20 30 CGEDMO C=CC[N@H+](Cc1cc(C(=O)OC)ccc1Cl)C1CC1 ZINC000511180076 375790364 /nfs/dbraw/zinc/79/03/64/375790364.db2.gz BIQIIDRZEVEMOX-UHFFFAOYSA-N 1 1 279.767 3.277 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000336413623 375790885 /nfs/dbraw/zinc/79/08/85/375790885.db2.gz GZVDEFOVGKATIM-BBRMVZONSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000336413623 375790892 /nfs/dbraw/zinc/79/08/92/375790892.db2.gz GZVDEFOVGKATIM-BBRMVZONSA-N 1 1 290.794 3.213 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000511755510 375792249 /nfs/dbraw/zinc/79/22/49/375792249.db2.gz LGXRMINBHDZPHG-KZNAEPCWSA-N 1 1 298.430 3.431 20 30 CGEDMO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccccc1C#N ZINC000336611889 375874270 /nfs/dbraw/zinc/87/42/70/375874270.db2.gz MYPTWBDVMDDXHF-GXFFZTMASA-N 1 1 268.282 3.331 20 30 CGEDMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccccc1C#N ZINC000336611889 375874280 /nfs/dbraw/zinc/87/42/80/375874280.db2.gz MYPTWBDVMDDXHF-GXFFZTMASA-N 1 1 268.282 3.331 20 30 CGEDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccccc1C#N ZINC000336611890 375874524 /nfs/dbraw/zinc/87/45/24/375874524.db2.gz MYPTWBDVMDDXHF-MFKMUULPSA-N 1 1 268.282 3.331 20 30 CGEDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccccc1C#N ZINC000336611890 375874531 /nfs/dbraw/zinc/87/45/31/375874531.db2.gz MYPTWBDVMDDXHF-MFKMUULPSA-N 1 1 268.282 3.331 20 30 CGEDMO COc1cccc(C[C@@H]2CCCCC[N@H+]2CCC#N)c1 ZINC000528750633 375908650 /nfs/dbraw/zinc/90/86/50/375908650.db2.gz QPGLCQZEGIKCEW-INIZCTEOSA-N 1 1 272.392 3.396 20 30 CGEDMO CCN1CC[C@H]([N@H+](C)CCCC(C)(C)C#N)C[C@@H]1C ZINC000336803019 375953281 /nfs/dbraw/zinc/95/32/81/375953281.db2.gz WVKWUNZJXIQJLR-GJZGRUSLSA-N 1 1 265.445 3.121 20 30 CGEDMO CCN1CC[C@H]([N@@H+](C)CCCC(C)(C)C#N)C[C@@H]1C ZINC000336803019 375953290 /nfs/dbraw/zinc/95/32/90/375953290.db2.gz WVKWUNZJXIQJLR-GJZGRUSLSA-N 1 1 265.445 3.121 20 30 CGEDMO Cn1cccc1[C@@H]1CCC[N@H+]1CCOc1ccccc1C#N ZINC000193736929 375916081 /nfs/dbraw/zinc/91/60/81/375916081.db2.gz OFHPULVSOYRSMA-KRWDZBQOSA-N 1 1 295.386 3.113 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000532334350 375951341 /nfs/dbraw/zinc/95/13/41/375951341.db2.gz VYITYHBXISYADQ-UHFFFAOYSA-N 1 1 292.467 3.334 20 30 CGEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)c2ccc(C)cc2C)C1=O ZINC000337129394 376089070 /nfs/dbraw/zinc/08/90/70/376089070.db2.gz IODCDZLUZUJJQD-RDJZCZTQSA-N 1 1 286.419 3.083 20 30 CGEDMO CC[C@]1(C)CC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337169305 376112128 /nfs/dbraw/zinc/11/21/28/376112128.db2.gz DONGGIXGURLQCG-OAHLLOKOSA-N 1 1 264.413 3.209 20 30 CGEDMO CC[C@H](C)[N@@H+](C)CCNc1cc(Cl)ccc1C#N ZINC000218070459 376182389 /nfs/dbraw/zinc/18/23/89/376182389.db2.gz UXVVTBSXXLMLIQ-NSHDSACASA-N 1 1 265.788 3.354 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cnc(N2CCCC2)nc1 ZINC000537625749 376185190 /nfs/dbraw/zinc/18/51/90/376185190.db2.gz SXLDRUCHFIUDAG-UHFFFAOYSA-N 1 1 288.439 3.255 20 30 CGEDMO C=C(CC)C[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000538016107 376219476 /nfs/dbraw/zinc/21/94/76/376219476.db2.gz ZXOYSEGCYQIUTC-UHFFFAOYSA-N 1 1 278.371 3.441 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCOCC23CCCC3)cc1 ZINC000538762046 376270373 /nfs/dbraw/zinc/27/03/73/376270373.db2.gz ULBSGTDKGBPLNW-UHFFFAOYSA-N 1 1 287.403 3.396 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000539433952 376312099 /nfs/dbraw/zinc/31/20/99/376312099.db2.gz VQUBZGPFWDLUBD-HRCADAONSA-N 1 1 295.471 3.293 20 30 CGEDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000539588858 376320081 /nfs/dbraw/zinc/32/00/81/376320081.db2.gz SKEZVZVNPFXNTJ-AWEZNQCLSA-N 1 1 294.439 3.370 20 30 CGEDMO C=CCC[N@@H+]1CCN(Cc2ccccc2OCC)C[C@@H]1C ZINC000338541569 376415685 /nfs/dbraw/zinc/41/56/85/376415685.db2.gz HLIZBGXBWDHIEV-INIZCTEOSA-N 1 1 288.435 3.168 20 30 CGEDMO CC1(C)CC[N@@H+](CCOc2cccc(C#N)c2)CCS1 ZINC000228088869 376429377 /nfs/dbraw/zinc/42/93/77/376429377.db2.gz GJJMBNBDQADLRA-UHFFFAOYSA-N 1 1 290.432 3.155 20 30 CGEDMO C=CCC[N@H+]1CCOc2ccc(Br)cc2C1 ZINC000338633184 376455142 /nfs/dbraw/zinc/45/51/42/376455142.db2.gz OMLYVFHNQATBFX-UHFFFAOYSA-N 1 1 282.181 3.220 20 30 CGEDMO C=CCC[N@@H+]1CCOc2ccc(Br)cc2C1 ZINC000338633184 376455147 /nfs/dbraw/zinc/45/51/47/376455147.db2.gz OMLYVFHNQATBFX-UHFFFAOYSA-N 1 1 282.181 3.220 20 30 CGEDMO COc1cccc(C[N@@H+](C)Cc2ccc(F)c(C#N)c2)c1 ZINC000229747546 376470384 /nfs/dbraw/zinc/47/03/84/376470384.db2.gz SVSUJGXOKYAXHQ-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000542663487 376564837 /nfs/dbraw/zinc/56/48/37/376564837.db2.gz VNBYETNOQGLMLD-OAHLLOKOSA-N 1 1 264.413 3.207 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000543251799 376624262 /nfs/dbraw/zinc/62/42/62/376624262.db2.gz IMRNXJXPUPZEDT-OAHLLOKOSA-N 1 1 272.392 3.435 20 30 CGEDMO CC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccn(C)n1 ZINC000543602769 376658400 /nfs/dbraw/zinc/65/84/00/376658400.db2.gz LLVCMPIOZTXOBJ-DOMZBBRYSA-N 1 1 268.364 3.094 20 30 CGEDMO C=C1CC[NH+](C[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000264462754 190111654 /nfs/dbraw/zinc/11/16/54/190111654.db2.gz KYBZBFWCUBSZFP-CQSZACIVSA-N 1 1 285.309 3.391 20 30 CGEDMO C=C1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000264498741 190114322 /nfs/dbraw/zinc/11/43/22/190114322.db2.gz VDBNRHPKYNISCV-KBPBESRZSA-N 1 1 290.382 3.043 20 30 CGEDMO C[C@@H]1C[C@@H](c2ccccc2)CC[N@H+]1CCOCCC#N ZINC000339157635 376716630 /nfs/dbraw/zinc/71/66/30/376716630.db2.gz LWXLCSAQUCQBNO-WBVHZDCISA-N 1 1 272.392 3.185 20 30 CGEDMO C=CCC(C)(C)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC000554424511 376849766 /nfs/dbraw/zinc/84/97/66/376849766.db2.gz XUDRHHCQQUZKNE-UHFFFAOYSA-N 1 1 280.456 3.360 20 30 CGEDMO CCC[C@]1(C(=O)OCC)CCC[N@H+]1CCC(C)(C)C#N ZINC000554260417 376849968 /nfs/dbraw/zinc/84/99/68/376849968.db2.gz RUKREKHNAOPQMG-MRXNPFEDSA-N 1 1 280.412 3.124 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](Cc2cn3ccccc3c2C#N)CCCO1 ZINC000339820841 376860854 /nfs/dbraw/zinc/86/08/54/376860854.db2.gz MMICUVWSZWQWOU-SFHVURJKSA-N 1 1 297.402 3.058 20 30 CGEDMO C=CCC[C@@H](NCC[N@H+]1CC[C@@H](C)C1)c1ccco1 ZINC000556874040 376894745 /nfs/dbraw/zinc/89/47/45/376894745.db2.gz ZOQRGLJFJAQHGR-HUUCEWRRSA-N 1 1 262.397 3.218 20 30 CGEDMO C=CCC[C@@H](NCC[N@@H+]1CC[C@@H](C)C1)c1ccco1 ZINC000556874040 376894753 /nfs/dbraw/zinc/89/47/53/376894753.db2.gz ZOQRGLJFJAQHGR-HUUCEWRRSA-N 1 1 262.397 3.218 20 30 CGEDMO C[C@@H](NCC[N@@H+]1CCCC[C@H]1C)c1cccc(C#N)c1 ZINC000245891860 376927570 /nfs/dbraw/zinc/92/75/70/376927570.db2.gz MIXNUDAUJWJUJS-HUUCEWRRSA-N 1 1 271.408 3.083 20 30 CGEDMO C[C@@H](NCC[N@H+]1CCCC[C@H]1C)c1cccc(C#N)c1 ZINC000245891860 376927576 /nfs/dbraw/zinc/92/75/76/376927576.db2.gz MIXNUDAUJWJUJS-HUUCEWRRSA-N 1 1 271.408 3.083 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@H]1C ZINC000245914388 376933019 /nfs/dbraw/zinc/93/30/19/376933019.db2.gz GGXJWECEFBFQHX-KGLIPLIRSA-N 1 1 294.402 3.189 20 30 CGEDMO C[C@@H]1CCC[C@H](C)C[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000558601874 377023312 /nfs/dbraw/zinc/02/33/12/377023312.db2.gz QLIYUBCXRRLNJX-LSDHHAIUSA-N 1 1 272.392 3.448 20 30 CGEDMO CCOC[C@@H]1CCC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000246308572 377008148 /nfs/dbraw/zinc/00/81/48/377008148.db2.gz FYGOQUOYCMPRCM-GDBMZVCRSA-N 1 1 272.392 3.368 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](CC)[C@H](C)c1cccc(O)c1 ZINC000247353460 377197560 /nfs/dbraw/zinc/19/75/60/377197560.db2.gz JYTPMCFQHXOMGE-CJNGLKHVSA-N 1 1 263.381 3.102 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)[C@@H]1CCSC1 ZINC000340728357 377239669 /nfs/dbraw/zinc/23/96/69/377239669.db2.gz XLYBNJBQFANMKP-GFCCVEGCSA-N 1 1 298.358 3.097 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000247403695 377201407 /nfs/dbraw/zinc/20/14/07/377201407.db2.gz MGDIHZQGFRMZNQ-RDJZCZTQSA-N 1 1 277.383 3.017 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000340907864 377314553 /nfs/dbraw/zinc/31/45/53/377314553.db2.gz QOJWNTHYCWCMNG-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C#N)c2)[C@H]2CCCC[C@@H]12 ZINC000248417238 377315473 /nfs/dbraw/zinc/31/54/73/377315473.db2.gz JJIBCJAJTUBFMH-COXVUDFISA-N 1 1 297.402 3.007 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCSCC#N)[C@H]1c1ccccc1 ZINC000248369772 377296961 /nfs/dbraw/zinc/29/69/61/377296961.db2.gz WRANDOFDFYNNKI-UKRRQHHQSA-N 1 1 260.406 3.326 20 30 CGEDMO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000340883796 377303752 /nfs/dbraw/zinc/30/37/52/377303752.db2.gz WTZRYCILCWYFRV-INIZCTEOSA-N 1 1 283.350 3.373 20 30 CGEDMO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1cccc(C#N)c1F ZINC000340883796 377303761 /nfs/dbraw/zinc/30/37/61/377303761.db2.gz WTZRYCILCWYFRV-INIZCTEOSA-N 1 1 283.350 3.373 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCS[C@@H](C)CC1 ZINC000249035189 377446040 /nfs/dbraw/zinc/44/60/40/377446040.db2.gz MMTIFGPKZHCDGT-QWHCGFSZSA-N 1 1 260.406 3.447 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@@H](C)C[C@H]2C)cc1C#N ZINC000087833365 249024577 /nfs/dbraw/zinc/02/45/77/249024577.db2.gz KPJVCYVNXFRSNY-CHWSQXEVSA-N 1 1 258.365 3.187 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CCC(C)(C)CC(=O)OCC ZINC000567773115 377509880 /nfs/dbraw/zinc/50/98/80/377509880.db2.gz CHTMLFLQQCKJLL-CQSZACIVSA-N 1 1 267.413 3.396 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)C[C@@H]1CCCC[C@H]1O ZINC000567990318 377511843 /nfs/dbraw/zinc/51/18/43/377511843.db2.gz SLKPHBFGVJPPGN-JKSUJKDBSA-N 1 1 266.429 3.189 20 30 CGEDMO C[C@@H]([N@@H+](C)Cc1cn2ccccc2c1C#N)C1(C)CC1 ZINC000177215703 249052902 /nfs/dbraw/zinc/05/29/02/249052902.db2.gz CQKDFABZUNRNPQ-CYBMUJFWSA-N 1 1 267.376 3.431 20 30 CGEDMO N#Cc1cccc([C@H]2CN(c3cc[nH+]cc3Cl)CCO2)c1 ZINC000341374387 377535869 /nfs/dbraw/zinc/53/58/69/377535869.db2.gz NRCGQTTVPSXFFB-MRXNPFEDSA-N 1 1 299.761 3.185 20 30 CGEDMO CCCC[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000312663795 249082055 /nfs/dbraw/zinc/08/20/55/249082055.db2.gz KZUNPKCWWWHLKT-CYBMUJFWSA-N 1 1 273.380 3.007 20 30 CGEDMO C=C(CC)C[NH2+][C@H](C)c1nc(Cc2ccccc2)no1 ZINC000573606849 377558219 /nfs/dbraw/zinc/55/82/19/377558219.db2.gz GIPHXCOJPGFVQK-CYBMUJFWSA-N 1 1 271.364 3.277 20 30 CGEDMO Cc1ccc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)o1 ZINC000514973728 249196974 /nfs/dbraw/zinc/19/69/74/249196974.db2.gz ZDRLGFLYBBHJDL-UHFFFAOYSA-N 1 1 284.359 3.108 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCOc2ccc(C#N)cc2)[C@H]1C ZINC000252213849 377619598 /nfs/dbraw/zinc/61/95/98/377619598.db2.gz XCMIHYIPUIXIHC-KGLIPLIRSA-N 1 1 258.365 3.057 20 30 CGEDMO N#Cc1ccc(Cl)cc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252661365 377648088 /nfs/dbraw/zinc/64/80/88/377648088.db2.gz IWJCMYVZVYKYLT-KGLIPLIRSA-N 1 1 275.783 3.250 20 30 CGEDMO O[C@@H]1CCC[C@@H]1[C@H]1CCCC[N@H+]1CC#Cc1ccccc1 ZINC000253086051 377670973 /nfs/dbraw/zinc/67/09/73/377670973.db2.gz AJLWXQVUYWEWOK-GUDVDZBRSA-N 1 1 283.415 3.054 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000253091394 377674917 /nfs/dbraw/zinc/67/49/17/377674917.db2.gz JOFZEFLESKKEJD-OAGGEKHMSA-N 1 1 278.440 3.332 20 30 CGEDMO Cc1cc(C[N@H+]2CC[C@@H](c3ccncc3)C2)ccc1C#N ZINC000574530279 377677927 /nfs/dbraw/zinc/67/79/27/377677927.db2.gz WRJUTCGDPXOSIM-GOSISDBHSA-N 1 1 277.371 3.251 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H]1CCCOC1 ZINC000342681814 377730852 /nfs/dbraw/zinc/73/08/52/377730852.db2.gz ROCJUNBSOGICOE-MRXNPFEDSA-N 1 1 275.392 3.110 20 30 CGEDMO CCC[C@H]1CCCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000342768724 377779231 /nfs/dbraw/zinc/77/92/31/377779231.db2.gz MQHMSFJIBNSPQN-HNNXBMFYSA-N 1 1 282.391 3.361 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000342715358 377751595 /nfs/dbraw/zinc/75/15/95/377751595.db2.gz ARGHEWCOHBJBSJ-LBPRGKRZSA-N 1 1 280.799 3.025 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(c2cc(C)ccc2F)C1=O ZINC000342733007 377762016 /nfs/dbraw/zinc/76/20/16/377762016.db2.gz HYWMQSKRKUVTDX-HNNXBMFYSA-N 1 1 290.382 3.137 20 30 CGEDMO Cc1ccnc(N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c1C#N ZINC000343433888 377977691 /nfs/dbraw/zinc/97/76/91/377977691.db2.gz IXTCYBBKZOOXIV-XHSDSOJGSA-N 1 1 298.434 3.103 20 30 CGEDMO CCC[C@]1(C)CCC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000577861913 378017810 /nfs/dbraw/zinc/01/78/10/378017810.db2.gz QGHMWATXWZXQBT-MRXNPFEDSA-N 1 1 257.381 3.355 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C(C)C ZINC000575758553 377987732 /nfs/dbraw/zinc/98/77/32/377987732.db2.gz FNAHILHFQIRFBY-UHFFFAOYSA-N 1 1 261.325 3.087 20 30 CGEDMO C[N@@H+](CCc1ccccc1)Cc1ccc(OCC#N)cc1 ZINC000264576373 377988922 /nfs/dbraw/zinc/98/89/22/377988922.db2.gz UFWZPFGVPHACHU-UHFFFAOYSA-N 1 1 280.371 3.263 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CCS1 ZINC000343585291 378028973 /nfs/dbraw/zinc/02/89/73/378028973.db2.gz TTZXDVPQCPVCAF-MRXNPFEDSA-N 1 1 274.433 3.326 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CC1)c1cccc(OC(F)F)c1 ZINC000343588587 378031080 /nfs/dbraw/zinc/03/10/80/378031080.db2.gz UKFCAUOWQPDXMV-JTQLQIEISA-N 1 1 266.291 3.242 20 30 CGEDMO Cn1cccc1[C@H]1CCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000343603947 378037213 /nfs/dbraw/zinc/03/72/13/378037213.db2.gz HPCALOOVMHYSDU-GOSISDBHSA-N 1 1 279.387 3.428 20 30 CGEDMO CCC[N@H+](Cc1ccc(C)cc1)Cc1ncc(C#N)cn1 ZINC000578122505 378039490 /nfs/dbraw/zinc/03/94/90/378039490.db2.gz YHCUNQKQULXHSU-UHFFFAOYSA-N 1 1 280.375 3.069 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C)cc1)Cc1ncc(C#N)cn1 ZINC000578122505 378039496 /nfs/dbraw/zinc/03/94/96/378039496.db2.gz YHCUNQKQULXHSU-UHFFFAOYSA-N 1 1 280.375 3.069 20 30 CGEDMO C[C@H](C#N)S[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000578131738 378039605 /nfs/dbraw/zinc/03/96/05/378039605.db2.gz RXSRAAOWKSPCQV-HIFRSBDPSA-N 1 1 260.406 3.296 20 30 CGEDMO Cc1cc[nH+]c(NC2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC000268288551 378051218 /nfs/dbraw/zinc/05/12/18/378051218.db2.gz DBTGKZOVVVLIRY-UHFFFAOYSA-N 1 1 292.386 3.343 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](CC3CCOCC3)CC2)cc1 ZINC000334475357 206583320 /nfs/dbraw/zinc/58/33/20/206583320.db2.gz MBWGJMCHZWPOHD-UHFFFAOYSA-N 1 1 282.387 3.074 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@H]1CCCc2nc(CC)sc21 ZINC000268661191 378087617 /nfs/dbraw/zinc/08/76/17/378087617.db2.gz JBZGNRJVELXDLN-JSGCOSHPSA-N 1 1 294.464 3.342 20 30 CGEDMO CC(C)[C@@H]1CCCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000268718184 378094916 /nfs/dbraw/zinc/09/49/16/378094916.db2.gz VIAJVEHRKKZOEU-DLBZAZTESA-N 1 1 272.392 3.102 20 30 CGEDMO CC[N@@H+](CCCc1cncn1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000582189242 378291442 /nfs/dbraw/zinc/29/14/42/378291442.db2.gz KFEHVJUWFSQFHT-HNNXBMFYSA-N 1 1 296.418 3.307 20 30 CGEDMO C=CCOCC[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000583859831 378354337 /nfs/dbraw/zinc/35/43/37/378354337.db2.gz MYLOHVQQDHDIJU-KRWDZBQOSA-N 1 1 259.393 3.286 20 30 CGEDMO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1(C)C ZINC000345878355 378396086 /nfs/dbraw/zinc/39/60/86/378396086.db2.gz GOYSLHKOVPUGKZ-CVEARBPZSA-N 1 1 290.382 3.333 20 30 CGEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1(C)C ZINC000345878355 378396096 /nfs/dbraw/zinc/39/60/96/378396096.db2.gz GOYSLHKOVPUGKZ-CVEARBPZSA-N 1 1 290.382 3.333 20 30 CGEDMO CC(C)[C@@H]([NH2+]CCC(C)(C)C#N)c1nc(C2CC2)no1 ZINC000345954745 378419432 /nfs/dbraw/zinc/41/94/32/378419432.db2.gz KIBCNARMMAFKHK-GFCCVEGCSA-N 1 1 276.384 3.174 20 30 CGEDMO CC(C)[N@@H+](C)CCCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271934284 378522101 /nfs/dbraw/zinc/52/21/01/378522101.db2.gz MOJVZYLQBHYFJX-CYBMUJFWSA-N 1 1 277.387 3.078 20 30 CGEDMO C[C@H](NCC[NH+]1CCCCCC1)c1ccc(C#N)c(F)c1 ZINC000346196593 378500812 /nfs/dbraw/zinc/50/08/12/378500812.db2.gz OYJFYJBRGDTYSV-AWEZNQCLSA-N 1 1 289.398 3.224 20 30 CGEDMO C[C@H](NCC[N@@H+](C)C1CCCC1)c1ccc(C#N)c(F)c1 ZINC000271909420 378513017 /nfs/dbraw/zinc/51/30/17/378513017.db2.gz ADULTYNSDMDOMF-ZDUSSCGKSA-N 1 1 289.398 3.222 20 30 CGEDMO C[C@H]([NH2+]CCN(C)C1CCCC1)c1ccc(C#N)c(F)c1 ZINC000271909420 378513020 /nfs/dbraw/zinc/51/30/20/378513020.db2.gz ADULTYNSDMDOMF-ZDUSSCGKSA-N 1 1 289.398 3.222 20 30 CGEDMO C[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccc(C#N)c(F)c1 ZINC000271925518 378519166 /nfs/dbraw/zinc/51/91/66/378519166.db2.gz GHGINQSDIKWGHO-BONVTDFDSA-N 1 1 284.338 3.149 20 30 CGEDMO C[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1ccc(C#N)c(F)c1 ZINC000271925518 378519174 /nfs/dbraw/zinc/51/91/74/378519174.db2.gz GHGINQSDIKWGHO-BONVTDFDSA-N 1 1 284.338 3.149 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cnn(C(C)C)c1 ZINC000272625547 378679184 /nfs/dbraw/zinc/67/91/84/378679184.db2.gz MKLUDIKHSJAONO-UHFFFAOYSA-N 1 1 273.380 3.288 20 30 CGEDMO C=CC[N@@H+](CCOC1CCC1)CCc1ccccc1 ZINC000346813639 378690608 /nfs/dbraw/zinc/69/06/08/378690608.db2.gz ARJWACIPCIAQMY-UHFFFAOYSA-N 1 1 259.393 3.286 20 30 CGEDMO C=CCOCCC[N@@H+]1CCC[C@H]1c1ccc(OC)cc1 ZINC000347975493 378745207 /nfs/dbraw/zinc/74/52/07/378745207.db2.gz WDZQTHIRXLYVIO-KRWDZBQOSA-N 1 1 275.392 3.425 20 30 CGEDMO CC(C)(C)C1=CC[N@@H+](Cc2ccc(C#N)cn2)CC1 ZINC000566417071 322121558 /nfs/dbraw/zinc/12/15/58/322121558.db2.gz REMNIAVOMOYSNJ-UHFFFAOYSA-N 1 1 255.365 3.131 20 30 CGEDMO C=CCOCCC[N@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000347260029 378711031 /nfs/dbraw/zinc/71/10/31/378711031.db2.gz ZWXNNXIXUPPVBO-GOEBONIOSA-N 1 1 260.381 3.057 20 30 CGEDMO C=CCOCCC[N@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000348044062 378764586 /nfs/dbraw/zinc/76/45/86/378764586.db2.gz YPVJWCQRHDOATF-JLTOFOAXSA-N 1 1 295.448 3.010 20 30 CGEDMO C=CCOCCC[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000348048048 378766791 /nfs/dbraw/zinc/76/67/91/378766791.db2.gz MUOYXYFCMVRHCG-MRXNPFEDSA-N 1 1 267.413 3.003 20 30 CGEDMO C=CCOCCC[N@H+](Cc1ccco1)Cc1cccnc1 ZINC000348057870 378771663 /nfs/dbraw/zinc/77/16/63/378771663.db2.gz UMYPYAQXZLTQKG-UHFFFAOYSA-N 1 1 286.375 3.270 20 30 CGEDMO C=CCOCCC[N@@H+](Cc1ccco1)Cc1cccnc1 ZINC000348057870 378771669 /nfs/dbraw/zinc/77/16/69/378771669.db2.gz UMYPYAQXZLTQKG-UHFFFAOYSA-N 1 1 286.375 3.270 20 30 CGEDMO N#Cc1ccccc1OCC[N@H+]1CCCC2(CCC2)C1 ZINC000348192386 378832679 /nfs/dbraw/zinc/83/26/79/378832679.db2.gz HXWFCRAPZPNERJ-UHFFFAOYSA-N 1 1 270.376 3.203 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)c(OC)c1C)C1CC1 ZINC000348258764 378869982 /nfs/dbraw/zinc/86/99/82/378869982.db2.gz CEFRCTSUJWQTCO-UHFFFAOYSA-N 1 1 261.365 3.163 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000274814574 378900218 /nfs/dbraw/zinc/90/02/18/378900218.db2.gz IRLMDACLMSXREF-AWEZNQCLSA-N 1 1 262.401 3.005 20 30 CGEDMO Cc1nc([C@H](C)[NH2+]Cc2ccc(CC#N)cc2)cs1 ZINC000348327369 378911354 /nfs/dbraw/zinc/91/13/54/378911354.db2.gz UQBPBSGMGHIGFI-NSHDSACASA-N 1 1 271.389 3.368 20 30 CGEDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1cc(C#N)cs1 ZINC000348548279 378988102 /nfs/dbraw/zinc/98/81/02/378988102.db2.gz QKSUHQZNSNEUBC-GXTWGEPZSA-N 1 1 278.421 3.135 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000278628974 194075791 /nfs/dbraw/zinc/07/57/91/194075791.db2.gz GHYSNPACSHITBY-ZDUSSCGKSA-N 1 1 268.282 3.333 20 30 CGEDMO CCN(Cc1ccc(C#N)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000289467521 197362104 /nfs/dbraw/zinc/36/21/04/197362104.db2.gz PAWVXGSQXYMHEF-UHFFFAOYSA-N 1 1 297.402 3.235 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCS[C@@H](c3ccccc3)C2)o1 ZINC000371398306 379158146 /nfs/dbraw/zinc/15/81/46/379158146.db2.gz KKBPTFYPWFYPLQ-MRXNPFEDSA-N 1 1 284.384 3.441 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCS[C@@H](c3ccccc3)C2)o1 ZINC000371398306 379158154 /nfs/dbraw/zinc/15/81/54/379158154.db2.gz KKBPTFYPWFYPLQ-MRXNPFEDSA-N 1 1 284.384 3.441 20 30 CGEDMO C[C@H]1C[C@H](c2cccnc2)[N@@H+](CCCSCC#N)C1 ZINC000372022319 379187383 /nfs/dbraw/zinc/18/73/83/379187383.db2.gz WWZSWUPTKYRHJT-DZGCQCFKSA-N 1 1 275.421 3.111 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@@H](c2nccn2C)C2CC2)C1 ZINC000639308693 379259072 /nfs/dbraw/zinc/25/90/72/379259072.db2.gz HUHSTWSDTAWTOJ-DZGCQCFKSA-N 1 1 259.397 3.159 20 30 CGEDMO CC[C@H]([NH2+][C@@H](C)Cc1cc(C)[nH]n1)c1ccc(C#N)cc1 ZINC000278887933 194196872 /nfs/dbraw/zinc/19/68/72/194196872.db2.gz YIWUMKJSTHOVBB-SJCJKPOMSA-N 1 1 282.391 3.262 20 30 CGEDMO CC[C@H](NCCC[NH+]1CCCC1)c1ccc(C#N)cc1 ZINC000278235972 379323139 /nfs/dbraw/zinc/32/31/39/379323139.db2.gz KWBKBQUEHNSRAA-KRWDZBQOSA-N 1 1 271.408 3.085 20 30 CGEDMO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCN2C2CCCCC2)C1 ZINC000373894585 379346344 /nfs/dbraw/zinc/34/63/44/379346344.db2.gz XMSIHABTZRSGJN-JFIYKMOQSA-N 1 1 289.467 3.455 20 30 CGEDMO N#C[C@@H]1CCC[C@@H](NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000373894585 379346347 /nfs/dbraw/zinc/34/63/47/379346347.db2.gz XMSIHABTZRSGJN-JFIYKMOQSA-N 1 1 289.467 3.455 20 30 CGEDMO N#C[C@@H]1CCC[C@@H](NC[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000373894585 379346352 /nfs/dbraw/zinc/34/63/52/379346352.db2.gz XMSIHABTZRSGJN-JFIYKMOQSA-N 1 1 289.467 3.455 20 30 CGEDMO C[C@@]1(c2ccc(F)cc2)CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000373614212 379308904 /nfs/dbraw/zinc/30/89/04/379308904.db2.gz WTLGCDMZFAWQRG-QGZVFWFLSA-N 1 1 284.334 3.454 20 30 CGEDMO C=CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000266602811 190270809 /nfs/dbraw/zinc/27/08/09/190270809.db2.gz XMEHOINKYOTGSJ-KRWDZBQOSA-N 1 1 258.409 3.016 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000266602811 190270810 /nfs/dbraw/zinc/27/08/10/190270810.db2.gz XMEHOINKYOTGSJ-KRWDZBQOSA-N 1 1 258.409 3.016 20 30 CGEDMO Cc1cnn(C)c1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000347612393 218290842 /nfs/dbraw/zinc/29/08/42/218290842.db2.gz NSNPUPIQMYKYRZ-UHFFFAOYSA-N 1 1 282.391 3.011 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)CCCCCC=C)n1 ZINC000279716902 379500333 /nfs/dbraw/zinc/50/03/33/379500333.db2.gz LDBHYXJZGRIPMO-UHFFFAOYSA-N 1 1 259.397 3.085 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccccc1 ZINC000279643038 379478482 /nfs/dbraw/zinc/47/84/82/379478482.db2.gz JLPWEYVOZRCBDN-UHFFFAOYSA-N 1 1 271.360 3.350 20 30 CGEDMO C=C(C)C[N@H+]1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000375699099 379504441 /nfs/dbraw/zinc/50/44/41/379504441.db2.gz URTLNOMCJUEUHQ-UHFFFAOYSA-N 1 1 280.412 3.038 20 30 CGEDMO Clc1cccc(C#CC[N@@H+]2CCC[C@H]2c2cn[nH]c2)c1 ZINC000639775422 379575409 /nfs/dbraw/zinc/57/54/09/379575409.db2.gz BQBQPHRHIDHYPM-INIZCTEOSA-N 1 1 285.778 3.252 20 30 CGEDMO Clc1cccc(C#CC[N@H+]2CCC[C@H]2c2cn[nH]c2)c1 ZINC000639775422 379575420 /nfs/dbraw/zinc/57/54/20/379575420.db2.gz BQBQPHRHIDHYPM-INIZCTEOSA-N 1 1 285.778 3.252 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000351093016 379640999 /nfs/dbraw/zinc/64/09/99/379640999.db2.gz AEYPNZMSRWVLGL-UHFFFAOYSA-N 1 1 266.291 3.168 20 30 CGEDMO C[C@@H](CCC#N)[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000351420807 379721772 /nfs/dbraw/zinc/72/17/72/379721772.db2.gz SCCWBYMXVNAJLP-QMMMGPOBSA-N 1 1 288.235 3.495 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000351420807 379721778 /nfs/dbraw/zinc/72/17/78/379721778.db2.gz SCCWBYMXVNAJLP-QMMMGPOBSA-N 1 1 288.235 3.495 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cccc(OC(C)(C)C)n1 ZINC000351700910 379739779 /nfs/dbraw/zinc/73/97/79/379739779.db2.gz TZXUEPAUNFNGIZ-UHFFFAOYSA-N 1 1 260.381 3.433 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000351729246 379741362 /nfs/dbraw/zinc/74/13/62/379741362.db2.gz DXCQTNRAMBFNAA-HNNXBMFYSA-N 1 1 269.392 3.467 20 30 CGEDMO CC1=C(C)C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000280802483 379794484 /nfs/dbraw/zinc/79/44/84/379794484.db2.gz SGLOCFIPFXDNRV-UHFFFAOYSA-N 1 1 294.358 3.150 20 30 CGEDMO CC1=C(C)C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)CC1 ZINC000280802483 379794487 /nfs/dbraw/zinc/79/44/87/379794487.db2.gz SGLOCFIPFXDNRV-UHFFFAOYSA-N 1 1 294.358 3.150 20 30 CGEDMO C[C@H](F)CC[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000352402328 379797764 /nfs/dbraw/zinc/79/77/64/379797764.db2.gz MZVQJEQQBNHPAE-LBPRGKRZSA-N 1 1 295.789 3.082 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1CC(C)(C)C ZINC000352335309 379769594 /nfs/dbraw/zinc/76/95/94/379769594.db2.gz UNNBYLWODOBANW-OAHLLOKOSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000352377868 379786895 /nfs/dbraw/zinc/78/68/95/379786895.db2.gz ZMPXDSCBURJHFJ-DLBZAZTESA-N 1 1 273.376 3.005 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000352377868 379786898 /nfs/dbraw/zinc/78/68/98/379786898.db2.gz ZMPXDSCBURJHFJ-DLBZAZTESA-N 1 1 273.376 3.005 20 30 CGEDMO C=C(C)CCn1cc(C[NH2+][C@H]2CCc3ccccc32)nn1 ZINC000641070142 379926527 /nfs/dbraw/zinc/92/65/27/379926527.db2.gz XFKUMMBAMDEVFC-KRWDZBQOSA-N 1 1 282.391 3.021 20 30 CGEDMO CO[C@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)[C@H](C)C1 ZINC000282377718 379907238 /nfs/dbraw/zinc/90/72/38/379907238.db2.gz OGDSWJHSPZLRSJ-ABAIWWIYSA-N 1 1 278.783 3.211 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)[C@H](C)C1 ZINC000282377718 379907240 /nfs/dbraw/zinc/90/72/40/379907240.db2.gz OGDSWJHSPZLRSJ-ABAIWWIYSA-N 1 1 278.783 3.211 20 30 CGEDMO CCOC1CC2(C1)CC[N@@H+](Cc1ccc(CC#N)cc1)C2 ZINC000353024416 380078934 /nfs/dbraw/zinc/07/89/34/380078934.db2.gz OSGHVMCLGCFWGD-UHFFFAOYSA-N 1 1 284.403 3.144 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@](C)(O)CC ZINC000352920984 380039738 /nfs/dbraw/zinc/03/97/38/380039738.db2.gz CNJBMABZKSNKEL-INIZCTEOSA-N 1 1 279.428 3.003 20 30 CGEDMO CCOc1ccc2c(c1)CC[N@@H+]([C@H](C)CCC#N)C2 ZINC000411393615 380141230 /nfs/dbraw/zinc/14/12/30/380141230.db2.gz VXYLOMZAIWJLFP-CYBMUJFWSA-N 1 1 258.365 3.136 20 30 CGEDMO C[N@@H+](CCOCC1CC1)CCC1(C#N)CCCCC1 ZINC000411338981 380141634 /nfs/dbraw/zinc/14/16/34/380141634.db2.gz WBUVKUFHRBZLBO-UHFFFAOYSA-N 1 1 264.413 3.209 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000268272559 190391333 /nfs/dbraw/zinc/39/13/33/190391333.db2.gz HKCPRDIFEZAUGD-MRXNPFEDSA-N 1 1 273.401 3.470 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000268283805 190392477 /nfs/dbraw/zinc/39/24/77/190392477.db2.gz QATPNHRRYZNWIN-SJORKVTESA-N 1 1 296.370 3.239 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cn(-c2cccc(F)c2)nc1C ZINC000414428989 380232751 /nfs/dbraw/zinc/23/27/51/380232751.db2.gz KXCSDIJEIYZKMA-UHFFFAOYSA-N 1 1 273.355 3.328 20 30 CGEDMO C=CCCC1(C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000354559702 380485064 /nfs/dbraw/zinc/48/50/64/380485064.db2.gz BIPBEARJOGFVDC-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc2c(c1)sc(=O)n2C ZINC000355137139 380595341 /nfs/dbraw/zinc/59/53/41/380595341.db2.gz TVJVFSYZBIZQRG-CYBMUJFWSA-N 1 1 288.416 3.141 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000355141864 380596993 /nfs/dbraw/zinc/59/69/93/380596993.db2.gz YOWIMCLFHFXFNJ-IRXDYDNUSA-N 1 1 287.403 3.252 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCSC[C@H]1C1CCC1 ZINC000418128443 380707813 /nfs/dbraw/zinc/70/78/13/380707813.db2.gz QJAJYFRGIVRNDW-INIZCTEOSA-N 1 1 272.417 3.276 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCSC[C@H]1C1CCC1 ZINC000419362836 380815684 /nfs/dbraw/zinc/81/56/84/380815684.db2.gz CELVGZKMPBMDRO-ZDUSSCGKSA-N 1 1 252.427 3.144 20 30 CGEDMO C[C@@H]1[C@H](C)C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H]1C ZINC000419375985 380820463 /nfs/dbraw/zinc/82/04/63/380820463.db2.gz SJCDUSHMEQVIKD-UPJWGTAASA-N 1 1 296.374 3.085 20 30 CGEDMO COCCCC[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000419379591 380822976 /nfs/dbraw/zinc/82/29/76/380822976.db2.gz FLYCVTSHZBNPLB-UHFFFAOYSA-N 1 1 265.784 3.050 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](C(=O)OC(C)(C)C)[C@H]1C ZINC000420925127 380864185 /nfs/dbraw/zinc/86/41/85/380864185.db2.gz KVEDPYLXWLPLTM-CHWSQXEVSA-N 1 1 253.386 3.005 20 30 CGEDMO C=CC[N@H+](CCCC)[C@H]1CCc2ncsc2C1 ZINC000646129173 380843803 /nfs/dbraw/zinc/84/38/03/380843803.db2.gz YZXIGTHMIJDULK-LBPRGKRZSA-N 1 1 250.411 3.289 20 30 CGEDMO C[C@@H]1CCC[C@H](C)[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000357740297 381272436 /nfs/dbraw/zinc/27/24/36/381272436.db2.gz JAFQHXNEZAXKEN-CABCVRRESA-N 1 1 299.418 3.397 20 30 CGEDMO CN(CC[N@H+](CCC#N)CC(C)(C)C)c1ccccc1 ZINC000358711489 381324228 /nfs/dbraw/zinc/32/42/28/381324228.db2.gz IDQUVNUMQUKDPI-UHFFFAOYSA-N 1 1 273.424 3.385 20 30 CGEDMO CN(CC[N@@H+](CCC#N)CC(C)(C)C)c1ccccc1 ZINC000358711489 381324231 /nfs/dbraw/zinc/32/42/31/381324231.db2.gz IDQUVNUMQUKDPI-UHFFFAOYSA-N 1 1 273.424 3.385 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000358514283 381313789 /nfs/dbraw/zinc/31/37/89/381313789.db2.gz VURJZKWBZNBWTF-INIZCTEOSA-N 1 1 286.419 3.095 20 30 CGEDMO C[C@@H]1CCCC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000360605996 381591614 /nfs/dbraw/zinc/59/16/14/381591614.db2.gz YHNHFUVUKYKZRK-CQSZACIVSA-N 1 1 267.376 3.433 20 30 CGEDMO Cn1cc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1C#N ZINC000361252578 381665529 /nfs/dbraw/zinc/66/55/29/381665529.db2.gz PGLVZZDTOBVLLZ-UONOGXRCSA-N 1 1 299.340 3.450 20 30 CGEDMO C=CC1CC[NH+](Cc2cncc(C(F)(F)F)c2)CC1 ZINC000361298329 381684174 /nfs/dbraw/zinc/68/41/74/381684174.db2.gz XFHVYKSLMSPRQJ-UHFFFAOYSA-N 1 1 270.298 3.498 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H]1CCC(C)(C)C1 ZINC000361467267 381758822 /nfs/dbraw/zinc/75/88/22/381758822.db2.gz BWZXYKPMWYKHFA-MRXNPFEDSA-N 1 1 299.418 3.397 20 30 CGEDMO C[N@H+](CC1(C#N)CC1)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000361597484 381827952 /nfs/dbraw/zinc/82/79/52/381827952.db2.gz YWAIMQCUZJTNPG-QWRGUYRKSA-N 1 1 260.303 3.343 20 30 CGEDMO C[N@@H+](CC1(C#N)CC1)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000361597484 381827955 /nfs/dbraw/zinc/82/79/55/381827955.db2.gz YWAIMQCUZJTNPG-QWRGUYRKSA-N 1 1 260.303 3.343 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccccc1OCC1CC1 ZINC000361640164 381852053 /nfs/dbraw/zinc/85/20/53/381852053.db2.gz SEXJXVSQKWNSKL-UHFFFAOYSA-N 1 1 275.392 3.110 20 30 CGEDMO CC[C@@]1(C)CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000362389580 381970080 /nfs/dbraw/zinc/97/00/80/381970080.db2.gz APPFSNHYPSOSAA-SFHVURJKSA-N 1 1 299.418 3.399 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000362295790 381933524 /nfs/dbraw/zinc/93/35/24/381933524.db2.gz AGPMTJPXRJOKKN-NXOAAHMSSA-N 1 1 292.467 3.453 20 30 CGEDMO N#Cc1cccc(C[N@@H+](CCO)CC2CCCCC2)c1F ZINC000362592774 382070647 /nfs/dbraw/zinc/07/06/47/382070647.db2.gz NWXQZMKDTUTHQL-UHFFFAOYSA-N 1 1 290.382 3.072 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000365415803 382286935 /nfs/dbraw/zinc/28/69/35/382286935.db2.gz YOADBLGKFHSGIB-YOEHRIQHSA-N 1 1 292.386 3.289 20 30 CGEDMO CO[C@H]1CCC[N@H+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000363676225 382245401 /nfs/dbraw/zinc/24/54/01/382245401.db2.gz VQOKIOWTNFTKKG-BBRMVZONSA-N 1 1 258.365 3.120 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)c(F)c1 ZINC000335368926 208294891 /nfs/dbraw/zinc/29/48/91/208294891.db2.gz PKYVAMHDWBKEBS-RDJZCZTQSA-N 1 1 288.366 3.088 20 30 CGEDMO N#Cc1csc(C[NH+]2CCC(Oc3ccccn3)CC2)c1 ZINC000350617031 219038146 /nfs/dbraw/zinc/03/81/46/219038146.db2.gz YYDFVGOCBATGQI-UHFFFAOYSA-N 1 1 299.399 3.058 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3ccncc3)C2)c(F)c1 ZINC000289257811 197277505 /nfs/dbraw/zinc/27/75/05/197277505.db2.gz CXIRTXHHXGRLDR-MRXNPFEDSA-N 1 1 295.361 3.472 20 30 CGEDMO Cc1ccncc1CCC[N@H+](C)Cc1cccc(C#N)c1 ZINC000289195012 197258585 /nfs/dbraw/zinc/25/85/85/197258585.db2.gz UVCHHIQBIODYMY-UHFFFAOYSA-N 1 1 279.387 3.326 20 30 CGEDMO COC[C@H]1CCCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000364364031 533125435 /nfs/dbraw/zinc/12/54/35/533125435.db2.gz YMAQBDQPAGZDEZ-ZDUSSCGKSA-N 1 1 292.810 3.460 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+]1CCCc2occc2C1 ZINC000288758241 197159078 /nfs/dbraw/zinc/15/90/78/197159078.db2.gz IOYYTYREQGTWLM-UHFFFAOYSA-N 1 1 282.343 3.108 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCCc2occc2C1 ZINC000288758241 197159080 /nfs/dbraw/zinc/15/90/80/197159080.db2.gz IOYYTYREQGTWLM-UHFFFAOYSA-N 1 1 282.343 3.108 20 30 CGEDMO CCC(CC)[N@@H+](CC)CC(=O)Nc1sccc1C#N ZINC000288563825 197113240 /nfs/dbraw/zinc/11/32/40/197113240.db2.gz AHEMOXPBLTYMAU-UHFFFAOYSA-N 1 1 279.409 3.069 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@H](CC(C)C)C2)cc1C#N ZINC000307771643 542422458 /nfs/dbraw/zinc/42/24/58/542422458.db2.gz HQBLWXPDJHUCLX-OAHLLOKOSA-N 1 1 272.392 3.435 20 30 CGEDMO N#CC1(F)CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC000352485562 542553074 /nfs/dbraw/zinc/55/30/74/542553074.db2.gz ZRUAIBCGKHADAG-UHFFFAOYSA-N 1 1 268.282 3.452 20 30 CGEDMO COc1ccc(C[N@@H+](C)Cc2ccc(F)c(C#N)c2)cc1 ZINC000160510521 533541682 /nfs/dbraw/zinc/54/16/82/533541682.db2.gz WCLOTYYQJBRSMM-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO C[N@@H+](CCOc1cccc(C#N)c1)CC1CCCC1 ZINC000064021786 392140052 /nfs/dbraw/zinc/14/00/52/392140052.db2.gz VGWSQNLGPNRUSD-UHFFFAOYSA-N 1 1 258.365 3.059 20 30 CGEDMO C=CCc1cc(C[N@@H+](C)C2CCC2)cc(OC)c1O ZINC000093475763 392237874 /nfs/dbraw/zinc/23/78/74/392237874.db2.gz NUAUTPNLSVHSQD-UHFFFAOYSA-N 1 1 261.365 3.114 20 30 CGEDMO C=CC[N@H+](Cc1ccc(C#N)o1)Cc1ccc(OC)cc1 ZINC000092217500 392230606 /nfs/dbraw/zinc/23/06/06/392230606.db2.gz KFBVZPZCEOKJJD-UHFFFAOYSA-N 1 1 282.343 3.348 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(C#N)o1)Cc1ccc(OC)cc1 ZINC000092217500 392230608 /nfs/dbraw/zinc/23/06/08/392230608.db2.gz KFBVZPZCEOKJJD-UHFFFAOYSA-N 1 1 282.343 3.348 20 30 CGEDMO C=CC[N@H+](Cc1ccn(C)c1)Cc1cccc(C#N)c1 ZINC000092504367 392232777 /nfs/dbraw/zinc/23/27/77/392232777.db2.gz ZZTQKXYHEGXZDJ-UHFFFAOYSA-N 1 1 265.360 3.085 20 30 CGEDMO C#CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1nc(C2CC2)no1 ZINC000285078833 392316854 /nfs/dbraw/zinc/31/68/54/392316854.db2.gz KNZTWQPLBZZZDF-BBRMVZONSA-N 1 1 295.386 3.232 20 30 CGEDMO COCC[N@H+](Cc1ccccc1C#N)C[C@@H]1CC=CCC1 ZINC000361675176 392292738 /nfs/dbraw/zinc/29/27/38/392292738.db2.gz KTHVGXSYGYHAHZ-MRXNPFEDSA-N 1 1 284.403 3.363 20 30 CGEDMO C[N@H+](CCC(F)(F)F)Cc1ccc(C#N)c(F)c1 ZINC000361712799 392301072 /nfs/dbraw/zinc/30/10/72/392301072.db2.gz BXOZXPHZAVOLHM-UHFFFAOYSA-N 1 1 260.234 3.082 20 30 CGEDMO C[N@@H+](CCC(F)(F)F)Cc1ccc(C#N)c(F)c1 ZINC000361712799 392301075 /nfs/dbraw/zinc/30/10/75/392301075.db2.gz BXOZXPHZAVOLHM-UHFFFAOYSA-N 1 1 260.234 3.082 20 30 CGEDMO C#Cc1ccc(CN[C@H](C[NH+](C)C)c2ccc(F)cc2)cc1 ZINC000290661699 392454214 /nfs/dbraw/zinc/45/42/14/392454214.db2.gz ZTUGXCQXKZKGKC-LJQANCHMSA-N 1 1 296.389 3.200 20 30 CGEDMO C[C@H](c1cccnc1)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000367058090 392464212 /nfs/dbraw/zinc/46/42/12/392464212.db2.gz PUDNDGOGVRMBAH-OAHLLOKOSA-N 1 1 292.386 3.095 20 30 CGEDMO C=CCCC[N@@H+](C)CC(=O)c1cc(C)n(CC)c1C ZINC000121144392 392408446 /nfs/dbraw/zinc/40/84/46/392408446.db2.gz XGOTWGJKVCCQEX-UHFFFAOYSA-N 1 1 262.397 3.206 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)c1cc(C)n(CC)c1C ZINC000121144392 392408453 /nfs/dbraw/zinc/40/84/53/392408453.db2.gz XGOTWGJKVCCQEX-UHFFFAOYSA-N 1 1 262.397 3.206 20 30 CGEDMO C=CCCC[N@H+](C)CCC(=O)NCc1ccccc1Cl ZINC000121123723 392409041 /nfs/dbraw/zinc/40/90/41/392409041.db2.gz BGQGTUGYNSRYFB-UHFFFAOYSA-N 1 1 294.826 3.244 20 30 CGEDMO C[N@H+]1CCC[C@]2(CCN(c3ccc(C#N)c(Cl)c3)C2)C1 ZINC000292696836 392509985 /nfs/dbraw/zinc/50/99/85/392509985.db2.gz FWZJFLSHMGXTQB-INIZCTEOSA-N 1 1 289.810 3.134 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Br)[C@@H]1C ZINC000292905051 392513489 /nfs/dbraw/zinc/51/34/89/392513489.db2.gz DZHPEOATAJMTGZ-NXEZZACHSA-N 1 1 279.181 3.161 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)[C@@H]1C ZINC000292905051 392513497 /nfs/dbraw/zinc/51/34/97/392513497.db2.gz DZHPEOATAJMTGZ-NXEZZACHSA-N 1 1 279.181 3.161 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000373914243 392665259 /nfs/dbraw/zinc/66/52/59/392665259.db2.gz VIJGLMHAUVTAHA-JONQDZQNSA-N 1 1 251.414 3.214 20 30 CGEDMO C=CCC[C@H](C)[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000647344113 392693291 /nfs/dbraw/zinc/69/32/91/392693291.db2.gz JHXUEMYFAHPRSN-JQHSSLGASA-N 1 1 272.436 3.276 20 30 CGEDMO Fc1ccc(C#CC[N@@H+]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000178960255 392686133 /nfs/dbraw/zinc/68/61/33/392686133.db2.gz ORAFFYQWIRDSMW-ZDUSSCGKSA-N 1 1 285.284 3.452 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000178960255 392686136 /nfs/dbraw/zinc/68/61/36/392686136.db2.gz ORAFFYQWIRDSMW-ZDUSSCGKSA-N 1 1 285.284 3.452 20 30 CGEDMO N#CCSCCC[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000173893420 392630622 /nfs/dbraw/zinc/63/06/22/392630622.db2.gz AUTOICRZQXCXFT-UHFFFAOYSA-N 1 1 290.432 3.251 20 30 CGEDMO C=C(C)C[N@@H+](C)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000181254974 392724031 /nfs/dbraw/zinc/72/40/31/392724031.db2.gz KVHFIBPYFQVUPD-UHFFFAOYSA-N 1 1 291.782 3.440 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)N[C@H](c1ccccc1)C(C)C ZINC000181258613 392726142 /nfs/dbraw/zinc/72/61/42/392726142.db2.gz YCHYVDCMWPPYLF-KRWDZBQOSA-N 1 1 274.408 3.008 20 30 CGEDMO CC[N@@H+](CCCc1ccccc1OC)C[C@@H](C)C#N ZINC000182421828 392746314 /nfs/dbraw/zinc/74/63/14/392746314.db2.gz YIEUHHAUHAMRLD-AWEZNQCLSA-N 1 1 260.381 3.109 20 30 CGEDMO C=CC[NH+]1CCC(N[C@H](C)c2cccc(F)c2F)CC1 ZINC000183260385 392754544 /nfs/dbraw/zinc/75/45/44/392754544.db2.gz BUWMTINEOCEKGI-GFCCVEGCSA-N 1 1 280.362 3.266 20 30 CGEDMO Cc1ncc(C[N@@H+](C)Cc2ccc(C#N)cc2C)s1 ZINC000186170633 392778658 /nfs/dbraw/zinc/77/86/58/392778658.db2.gz ITOMNVMBZZJDEH-UHFFFAOYSA-N 1 1 271.389 3.264 20 30 CGEDMO Cc1ncc(C[N@H+](C)Cc2ccc(C#N)cc2C)s1 ZINC000186170633 392778661 /nfs/dbraw/zinc/77/86/61/392778661.db2.gz ITOMNVMBZZJDEH-UHFFFAOYSA-N 1 1 271.389 3.264 20 30 CGEDMO Cc1cnc(CC[N@H+](C)Cc2ccc(C#N)cc2C)s1 ZINC000186312630 392782865 /nfs/dbraw/zinc/78/28/65/392782865.db2.gz SCRXCVYXATUFJH-UHFFFAOYSA-N 1 1 285.416 3.306 20 30 CGEDMO CC(C)C[C@H]1CCCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191398098 392830246 /nfs/dbraw/zinc/83/02/46/392830246.db2.gz PHTZFEDYGHTKJV-OAHLLOKOSA-N 1 1 259.397 3.297 20 30 CGEDMO C[N@@H+](CCOc1cccc(C#N)c1)C1CC(C)(C)C1 ZINC000395376512 392941282 /nfs/dbraw/zinc/94/12/82/392941282.db2.gz NUOOZDCETWARLX-UHFFFAOYSA-N 1 1 258.365 3.057 20 30 CGEDMO CSCC[C@@H](C)[N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459377850 392941849 /nfs/dbraw/zinc/94/18/49/392941849.db2.gz MTMMTUJCHPZOOB-LLVKDONJSA-N 1 1 293.392 3.040 20 30 CGEDMO CSCC[C@@H](C)[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459377850 392941853 /nfs/dbraw/zinc/94/18/53/392941853.db2.gz MTMMTUJCHPZOOB-LLVKDONJSA-N 1 1 293.392 3.040 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459371551 392941877 /nfs/dbraw/zinc/94/18/77/392941877.db2.gz YJGZSRGRGIMSEI-NEPJUHHUSA-N 1 1 273.336 3.087 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459371551 392941881 /nfs/dbraw/zinc/94/18/81/392941881.db2.gz YJGZSRGRGIMSEI-NEPJUHHUSA-N 1 1 273.336 3.087 20 30 CGEDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459358638 392942152 /nfs/dbraw/zinc/94/21/52/392942152.db2.gz MXWTWWWSPIHSOP-AAEUAGOBSA-N 1 1 273.336 3.087 20 30 CGEDMO C=CCOCC[N@@H+]1C[C@H](C)C[C@H]1c1cccc(OC)c1 ZINC000339084894 392947622 /nfs/dbraw/zinc/94/76/22/392947622.db2.gz RQKRGPRCGGJMHW-PBHICJAKSA-N 1 1 275.392 3.281 20 30 CGEDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2CCOCCC#N)c1 ZINC000339084136 392948111 /nfs/dbraw/zinc/94/81/11/392948111.db2.gz NTWHIQYEXMWAPE-PBHICJAKSA-N 1 1 288.391 3.008 20 30 CGEDMO C[C@H](O)C[N@@H+](Cc1ccccc1C#N)C1CCCCC1 ZINC000339127907 392949898 /nfs/dbraw/zinc/94/98/98/392949898.db2.gz KVHXIXQHOOULSY-AWEZNQCLSA-N 1 1 272.392 3.074 20 30 CGEDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000194938206 392946938 /nfs/dbraw/zinc/94/69/38/392946938.db2.gz COVOOJVVFYIVSO-KRWDZBQOSA-N 1 1 290.382 3.478 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)[C@@H]1CCCC[C@H]1O ZINC000533831880 542749059 /nfs/dbraw/zinc/74/90/59/542749059.db2.gz UHIWNHFPQBBVQR-IAGOWNOFSA-N 1 1 259.393 3.021 20 30 CGEDMO COc1ccc([C@@H]([NH2+]Cc2ccccc2C#N)C2CC2)cn1 ZINC000527840044 392961283 /nfs/dbraw/zinc/96/12/83/392961283.db2.gz BPNAYUPMKQXLQF-SFHVURJKSA-N 1 1 293.370 3.203 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)Cc1oc(C(C)C)nc1C ZINC000411652158 392983539 /nfs/dbraw/zinc/98/35/39/392983539.db2.gz WPNDFCHHPFGQFX-UHFFFAOYSA-N 1 1 279.428 3.046 20 30 CGEDMO N#CC1(CC[N@H+]2CCC[C@H]2[C@H]2CCCO2)CCCCC1 ZINC000411699644 392986050 /nfs/dbraw/zinc/98/60/50/392986050.db2.gz MWWHCYRQYLIFKN-JKSUJKDBSA-N 1 1 276.424 3.494 20 30 CGEDMO CC(C)OC1CC[NH+](Cc2cn3ccccc3c2C#N)CC1 ZINC000531403715 392991194 /nfs/dbraw/zinc/99/11/94/392991194.db2.gz PAUMQCKPOAFIHU-UHFFFAOYSA-N 1 1 297.402 3.200 20 30 CGEDMO N#CCCC[N@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000412001132 392992405 /nfs/dbraw/zinc/99/24/05/392992405.db2.gz PIAWFAUAKCGRQC-MRXNPFEDSA-N 1 1 270.376 3.144 20 30 CGEDMO C[C@H]([N@@H+](C)Cc1cnc2ccc(C#N)cn12)C(C)(C)C ZINC000534349869 392998203 /nfs/dbraw/zinc/99/82/03/392998203.db2.gz JHHYHFMTHJMSPP-LBPRGKRZSA-N 1 1 270.380 3.072 20 30 CGEDMO C=CCC[N@@H+](CCN1CCCCCC1)C1CCC1 ZINC000347471245 393105413 /nfs/dbraw/zinc/10/54/13/393105413.db2.gz JAJDRRJCBKNJCQ-UHFFFAOYSA-N 1 1 250.430 3.293 20 30 CGEDMO C=CCCN(CC[NH+]1CCCCCC1)C1CCC1 ZINC000347471245 393105417 /nfs/dbraw/zinc/10/54/17/393105417.db2.gz JAJDRRJCBKNJCQ-UHFFFAOYSA-N 1 1 250.430 3.293 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000351320136 393181151 /nfs/dbraw/zinc/18/11/51/393181151.db2.gz AKWCTPQBNROOBW-IAGOWNOFSA-N 1 1 277.383 3.160 20 30 CGEDMO CC[C@@H](CN[C@@H]1CCc2ccc(C#N)cc21)[NH+]1CCCC1 ZINC000353412205 393220796 /nfs/dbraw/zinc/22/07/96/393220796.db2.gz LDWFUKQBIXYMJC-FUHWJXTLSA-N 1 1 283.419 3.010 20 30 CGEDMO C=CCOc1ccc(CN[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000353935632 393234950 /nfs/dbraw/zinc/23/49/50/393234950.db2.gz XOQDWQNTYDVFEZ-CRAIPNDOSA-N 1 1 288.435 3.071 20 30 CGEDMO C=CCOc1ccc(CN[C@@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000353935632 393234955 /nfs/dbraw/zinc/23/49/55/393234955.db2.gz XOQDWQNTYDVFEZ-CRAIPNDOSA-N 1 1 288.435 3.071 20 30 CGEDMO C=CCOc1ccc(C[NH2+][C@@H]2CCN(CC)C[C@H]2C)cc1 ZINC000353935632 393234962 /nfs/dbraw/zinc/23/49/62/393234962.db2.gz XOQDWQNTYDVFEZ-CRAIPNDOSA-N 1 1 288.435 3.071 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@@](C)(OC)C1 ZINC000355227896 393271024 /nfs/dbraw/zinc/27/10/24/393271024.db2.gz WAZSIPHUEPMFER-QGZVFWFLSA-N 1 1 275.392 3.252 20 30 CGEDMO C[C@H]1CC[C@@H]([N@@H+](C)Cc2cn3ccccc3c2C#N)C1 ZINC000429561273 393479248 /nfs/dbraw/zinc/47/92/48/393479248.db2.gz QFTXCRMWIOUFFF-DZGCQCFKSA-N 1 1 267.376 3.431 20 30 CGEDMO CC[C@H]1CCCC[C@H]1[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356297191 393411873 /nfs/dbraw/zinc/41/18/73/393411873.db2.gz FBZCXEPGGQKKLA-WCQYABFASA-N 1 1 263.410 3.415 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421016200 393577664 /nfs/dbraw/zinc/57/76/64/393577664.db2.gz MFECTXRQWAFBLH-LSDHHAIUSA-N 1 1 272.392 3.104 20 30 CGEDMO CC1(C)CCC[N@@H+](CCNc2cccc(F)c2C#N)C1 ZINC000443966158 393779195 /nfs/dbraw/zinc/77/91/95/393779195.db2.gz RXHJQSGELZLBIK-UHFFFAOYSA-N 1 1 275.371 3.231 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)c1 ZINC000668625621 543037322 /nfs/dbraw/zinc/03/73/22/543037322.db2.gz VVTMIYNYKYEQKZ-CABCVRRESA-N 1 1 275.392 3.251 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC000671715544 543179943 /nfs/dbraw/zinc/17/99/43/543179943.db2.gz IDHWDJSCTOVCKT-NWDGAFQWSA-N 1 1 265.319 3.384 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC000671715544 543179946 /nfs/dbraw/zinc/17/99/46/543179946.db2.gz IDHWDJSCTOVCKT-NWDGAFQWSA-N 1 1 265.319 3.384 20 30 CGEDMO CC(C)CC[N@@H+](CCC(=O)N(C)CCC#N)C1CCCC1 ZINC000094848774 397641821 /nfs/dbraw/zinc/64/18/21/397641821.db2.gz SVKLQZAHZQEGGZ-UHFFFAOYSA-N 1 1 293.455 3.039 20 30 CGEDMO C=CCC[C@@H](NC[C@H](C)[N@H+](C)C1CC1)c1ccco1 ZINC000286270984 397671564 /nfs/dbraw/zinc/67/15/64/397671564.db2.gz VJDHIBZKMDZZSC-DZGCQCFKSA-N 1 1 262.397 3.359 20 30 CGEDMO C=CCC[C@@H](NC[C@H](C)[N@@H+](C)C1CC1)c1ccco1 ZINC000286270984 397671565 /nfs/dbraw/zinc/67/15/65/397671565.db2.gz VJDHIBZKMDZZSC-DZGCQCFKSA-N 1 1 262.397 3.359 20 30 CGEDMO C=CC[N@H+](CCc1nc(C(C)=O)c(C)[nH]1)Cc1ccccc1 ZINC000677476346 543450816 /nfs/dbraw/zinc/45/08/16/543450816.db2.gz NLJBXTXAIXPDFW-UHFFFAOYSA-N 1 1 297.402 3.151 20 30 CGEDMO C=CC[N@@H+](CCc1nc(C)c(C(C)=O)[nH]1)Cc1ccccc1 ZINC000677476346 543450818 /nfs/dbraw/zinc/45/08/18/543450818.db2.gz NLJBXTXAIXPDFW-UHFFFAOYSA-N 1 1 297.402 3.151 20 30 CGEDMO C=CC[N@H+](CCc1nc(C)c(C(C)=O)[nH]1)Cc1ccccc1 ZINC000677476346 543450819 /nfs/dbraw/zinc/45/08/19/543450819.db2.gz NLJBXTXAIXPDFW-UHFFFAOYSA-N 1 1 297.402 3.151 20 30 CGEDMO COCC#CC[N@H+]1CCCC[C@@H]1c1ccc(C)cc1 ZINC000677816881 543467403 /nfs/dbraw/zinc/46/74/03/543467403.db2.gz CELUYMOLXCLFGW-QGZVFWFLSA-N 1 1 257.377 3.172 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1ccccc1-n1cncn1 ZINC000678270509 543506294 /nfs/dbraw/zinc/50/62/94/543506294.db2.gz DCQUMQQIIRMGQZ-UHFFFAOYSA-N 1 1 284.407 3.446 20 30 CGEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CCC(C)(C)C#N)C1(C)C ZINC000345709975 286246306 /nfs/dbraw/zinc/24/63/06/286246306.db2.gz CGQBMEOJWRGURM-CHWSQXEVSA-N 1 1 252.402 3.062 20 30 CGEDMO CC(C)[C@@H]1CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000093440651 287116484 /nfs/dbraw/zinc/11/64/84/287116484.db2.gz VTQDCRDQFKJTHT-MRXNPFEDSA-N 1 1 296.418 3.464 20 30 CGEDMO C[C@@H](c1ccc(C#N)c(F)c1)[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000334531897 287130291 /nfs/dbraw/zinc/13/02/91/287130291.db2.gz XZELXVRPFOWPDA-SUMWQHHRSA-N 1 1 288.366 3.261 20 30 CGEDMO C[C@@H]1C[C@@H](Nc2ccc(C#N)c(Cl)c2)C[N@H+]1C1CC1 ZINC000122797256 287212757 /nfs/dbraw/zinc/21/27/57/287212757.db2.gz NUZUMKUFYMULRN-ZWNOBZJWSA-N 1 1 275.783 3.249 20 30 CGEDMO CC[C@@H]1CC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000125868685 287252124 /nfs/dbraw/zinc/25/21/24/287252124.db2.gz GDOHYNAIPPQCSX-CYBMUJFWSA-N 1 1 253.349 3.043 20 30 CGEDMO C=CCOc1ccc(CN[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000035258889 172090819 /nfs/dbraw/zinc/09/08/19/172090819.db2.gz XIWQNEPRMRSPOM-INIZCTEOSA-N 1 1 288.435 3.215 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCC(=O)Nc1ccccc1F ZINC000054424250 416481290 /nfs/dbraw/zinc/48/12/90/416481290.db2.gz REEZENRKSSNABT-UHFFFAOYSA-N 1 1 264.344 3.052 20 30 CGEDMO COCC#CC[N@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000679221038 543601450 /nfs/dbraw/zinc/60/14/50/543601450.db2.gz PLARBLXDEWBGCN-OAHLLOKOSA-N 1 1 275.367 3.045 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1[nH]nc2ccccc21 ZINC000679364745 543629845 /nfs/dbraw/zinc/62/98/45/543629845.db2.gz LYCVQMKKDTYIAL-UHFFFAOYSA-N 1 1 281.359 3.387 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1n[nH]c2ccccc21 ZINC000679364745 543629846 /nfs/dbraw/zinc/62/98/46/543629846.db2.gz LYCVQMKKDTYIAL-UHFFFAOYSA-N 1 1 281.359 3.387 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1n[nH]c2ccccc21 ZINC000679364745 543629849 /nfs/dbraw/zinc/62/98/49/543629849.db2.gz LYCVQMKKDTYIAL-UHFFFAOYSA-N 1 1 281.359 3.387 20 30 CGEDMO FC(F)O[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000679681277 543657195 /nfs/dbraw/zinc/65/71/95/543657195.db2.gz FVCQRERVDABLHY-AWEZNQCLSA-N 1 1 299.748 3.395 20 30 CGEDMO FC(F)O[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000679681277 543657197 /nfs/dbraw/zinc/65/71/97/543657197.db2.gz FVCQRERVDABLHY-AWEZNQCLSA-N 1 1 299.748 3.395 20 30 CGEDMO O[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C2(CCC2)C1 ZINC000334984548 225386095 /nfs/dbraw/zinc/38/60/95/225386095.db2.gz AGYOJLYAVUYZJR-MRXNPFEDSA-N 1 1 289.806 3.071 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)CC1=Cc2ccccc2OC1 ZINC000130767642 287362562 /nfs/dbraw/zinc/36/25/62/287362562.db2.gz MIHDAKJFCXBEGA-UHFFFAOYSA-N 1 1 290.366 3.466 20 30 CGEDMO C=CC[N@H+](C)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000681758152 543806546 /nfs/dbraw/zinc/80/65/46/543806546.db2.gz GHTORTHPDDABGA-UHFFFAOYSA-N 1 1 275.783 3.203 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(OC)nc1 ZINC000131101491 287371004 /nfs/dbraw/zinc/37/10/04/287371004.db2.gz CQICUWUUHADCQZ-UHFFFAOYSA-N 1 1 295.386 3.374 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000683783064 543942055 /nfs/dbraw/zinc/94/20/55/543942055.db2.gz OPEJQSOTRJVSBA-RYUDHWBXSA-N 1 1 265.319 3.384 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000683783064 543942058 /nfs/dbraw/zinc/94/20/58/543942058.db2.gz OPEJQSOTRJVSBA-RYUDHWBXSA-N 1 1 265.319 3.384 20 30 CGEDMO Cc1csc([C@H](C)[NH2+]Cc2ccc(C#N)s2)n1 ZINC000135689498 287474183 /nfs/dbraw/zinc/47/41/83/287474183.db2.gz WHIWRBBKXXMTST-VIFPVBQESA-N 1 1 263.391 3.236 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@@H](CCC)c2ccccc2)nn1 ZINC000653598307 419058185 /nfs/dbraw/zinc/05/81/85/419058185.db2.gz VDILNAXWVPZWDT-KRWDZBQOSA-N 1 1 284.407 3.485 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@@H](CC)c2ccccc2)nn1 ZINC000653599327 419058412 /nfs/dbraw/zinc/05/84/12/419058412.db2.gz ITPBWXYJDBTUFV-INIZCTEOSA-N 1 1 270.380 3.095 20 30 CGEDMO C=CCCn1cc(C[N@H+](C)[C@@H](C)C2CCCCC2)nn1 ZINC000653648385 419065498 /nfs/dbraw/zinc/06/54/98/419065498.db2.gz VOHLETPHYNEWJG-AWEZNQCLSA-N 1 1 276.428 3.255 20 30 CGEDMO C=CCCc1nc(CCCCn2c[nH+]c(C)c2C)no1 ZINC000656037068 419134713 /nfs/dbraw/zinc/13/47/13/419134713.db2.gz SKZCSBFBTBQNIR-UHFFFAOYSA-N 1 1 274.368 3.024 20 30 CGEDMO C=CCOCCN(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000660708199 419184088 /nfs/dbraw/zinc/18/40/88/419184088.db2.gz NKLCTXDLKPXNRC-NSHDSACASA-N 1 1 293.798 3.412 20 30 CGEDMO C=CCOCC[N@@H+](C)[C@@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000660708199 419184089 /nfs/dbraw/zinc/18/40/89/419184089.db2.gz NKLCTXDLKPXNRC-NSHDSACASA-N 1 1 293.798 3.412 20 30 CGEDMO C=CCOCC[N@H+](C)[C@@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000660708199 419184091 /nfs/dbraw/zinc/18/40/91/419184091.db2.gz NKLCTXDLKPXNRC-NSHDSACASA-N 1 1 293.798 3.412 20 30 CGEDMO C=CC[N@@H+](Cc1cc(F)ccc1C)[C@H](C)COC ZINC000661238952 419243103 /nfs/dbraw/zinc/24/31/03/419243103.db2.gz AQKWWODLKKDJIV-CYBMUJFWSA-N 1 1 251.345 3.157 20 30 CGEDMO C=CC[N@H+](CCC(=O)c1ccc(C)cc1)[C@H](C)COC ZINC000661239228 419243222 /nfs/dbraw/zinc/24/32/22/419243222.db2.gz DHPDRBOJRNBHGK-OAHLLOKOSA-N 1 1 275.392 3.091 20 30 CGEDMO C=CC[N@@H+](C[C@@H]1C[C@H]1c1ccccc1)[C@@H](C)COC ZINC000661239364 419243355 /nfs/dbraw/zinc/24/33/55/419243355.db2.gz FYTPRMZNBYUQGK-XIRDDKMYSA-N 1 1 259.393 3.313 20 30 CGEDMO C=CC[N@@H+](CC#Cc1cccc(Cl)c1)[C@H](C)COC ZINC000661242869 419244575 /nfs/dbraw/zinc/24/45/75/419244575.db2.gz UZPBIVCIQDGYAZ-CQSZACIVSA-N 1 1 277.795 3.214 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(OC(C)(C)C)n1)[C@@H](C)COC ZINC000661241456 419244588 /nfs/dbraw/zinc/24/45/88/419244588.db2.gz YLCRUJLKJAWQQI-AWEZNQCLSA-N 1 1 292.423 3.282 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc(OCC)cn2)C1 ZINC000661380270 419255392 /nfs/dbraw/zinc/25/53/92/419255392.db2.gz LWFVZRAUDWTEGH-CQSZACIVSA-N 1 1 260.381 3.268 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C)cc2F)C1 ZINC000661378942 419255899 /nfs/dbraw/zinc/25/58/99/419255899.db2.gz OXPXTGLYCVPFFT-AWEZNQCLSA-N 1 1 290.382 3.361 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C)cc2F)C1 ZINC000661378942 419255901 /nfs/dbraw/zinc/25/59/01/419255901.db2.gz OXPXTGLYCVPFFT-AWEZNQCLSA-N 1 1 290.382 3.361 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000661381946 419256047 /nfs/dbraw/zinc/25/60/47/419256047.db2.gz QOQGSARFIIMZRH-AWEZNQCLSA-N 1 1 297.402 3.166 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2ncnn2-c2ccccc2)C1 ZINC000661386882 419256663 /nfs/dbraw/zinc/25/66/63/419256663.db2.gz VOQSHGLTGZCEEF-OAHLLOKOSA-N 1 1 282.391 3.055 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2ncnn2-c2ccccc2)C1 ZINC000661386882 419256666 /nfs/dbraw/zinc/25/66/66/419256666.db2.gz VOQSHGLTGZCEEF-OAHLLOKOSA-N 1 1 282.391 3.055 20 30 CGEDMO C=CC[N@H+](C[C@@H](O)[C@H](C)c1ccccc1)C(C)(C)C ZINC000661759004 419295735 /nfs/dbraw/zinc/29/57/35/419295735.db2.gz XWUANFONMJSMGR-GDBMZVCRSA-N 1 1 261.409 3.438 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1nc(C(C)C)no1 ZINC000662080217 419333126 /nfs/dbraw/zinc/33/31/26/419333126.db2.gz NZXQLBXICWTZTG-UPJWGTAASA-N 1 1 261.369 3.437 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1cc(F)ccc1F ZINC000662081691 419333581 /nfs/dbraw/zinc/33/35/81/419333581.db2.gz XKYAYXHWXCUFIZ-BETUJISGSA-N 1 1 292.329 3.086 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1cc(F)ccc1F ZINC000662081691 419333583 /nfs/dbraw/zinc/33/35/83/419333583.db2.gz XKYAYXHWXCUFIZ-BETUJISGSA-N 1 1 292.329 3.086 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)[C@H](C)c1ccccc1 ZINC000662089404 419334474 /nfs/dbraw/zinc/33/44/74/419334474.db2.gz XWJRKEKAGFRMFZ-BGTYHANMSA-N 1 1 271.404 3.334 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnn(C(C)(C)C)c1 ZINC000662088793 419335041 /nfs/dbraw/zinc/33/50/41/419335041.db2.gz MZWZOVBDCMXXAS-GASCZTMLSA-N 1 1 259.397 3.321 20 30 CGEDMO C=CCCCC[N@@H+]1C[C@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000662241639 419370260 /nfs/dbraw/zinc/37/02/60/419370260.db2.gz UWOCAQCOEBKPFR-RYUDHWBXSA-N 1 1 265.319 3.384 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1cc(OC)c(OC)cc1SC ZINC000086506725 260208201 /nfs/dbraw/zinc/20/82/01/260208201.db2.gz GMGQHMZKAYKPBC-LBPRGKRZSA-N 1 1 294.420 3.208 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1ccccc1C(F)(F)F ZINC000054182211 260216665 /nfs/dbraw/zinc/21/66/65/260216665.db2.gz YOPQZCSLPBNRLK-LLVKDONJSA-N 1 1 256.271 3.487 20 30 CGEDMO CCC[N@@H+](CCCSCC#N)Cc1ccc(C#N)cc1 ZINC000080627094 260317466 /nfs/dbraw/zinc/31/74/66/260317466.db2.gz JYCKAQWYJDARPU-UHFFFAOYSA-N 1 1 287.432 3.417 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCCC[C@H]2C[C@@H](C)O)cc1 ZINC000448355860 261126272 /nfs/dbraw/zinc/12/62/72/261126272.db2.gz QBWBUBSNSRBSAY-WBVHZDCISA-N 1 1 289.419 3.377 20 30 CGEDMO C=CC[C@@H](CO)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000302118625 261347170 /nfs/dbraw/zinc/34/71/70/261347170.db2.gz DYTYXTZCVUDHTF-NSHDSACASA-N 1 1 262.740 3.237 20 30 CGEDMO CC[N@@H+](CCC#N)C[C@@H](CNC(=O)OC(C)(C)C)C(C)C ZINC000497300344 262137385 /nfs/dbraw/zinc/13/73/85/262137385.db2.gz VTWHXOVYDHWPDG-CQSZACIVSA-N 1 1 297.443 3.019 20 30 CGEDMO CC[N@H+](CCSCc1ccccc1)C[C@@H](C)C#N ZINC000192561615 262205536 /nfs/dbraw/zinc/20/55/36/262205536.db2.gz WWNZBFGEVYIWAQ-AWEZNQCLSA-N 1 1 262.422 3.401 20 30 CGEDMO CC[N@@H+](CCSCc1ccccc1)C[C@@H](C)C#N ZINC000192561615 262205537 /nfs/dbraw/zinc/20/55/37/262205537.db2.gz WWNZBFGEVYIWAQ-AWEZNQCLSA-N 1 1 262.422 3.401 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000364469396 262246588 /nfs/dbraw/zinc/24/65/88/262246588.db2.gz VFSGQRIAAUHJHF-ZDUSSCGKSA-N 1 1 260.385 3.267 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000365432003 262364855 /nfs/dbraw/zinc/36/48/55/262364855.db2.gz KRHMCXPLLGPRQM-HUUCEWRRSA-N 1 1 264.413 3.207 20 30 CGEDMO C=CCOc1ccc(CNC[C@H](CC(C)C)[NH+](C)C)cc1 ZINC000021519722 262389115 /nfs/dbraw/zinc/38/91/15/262389115.db2.gz MDKWAGBUQDQCOS-KRWDZBQOSA-N 1 1 290.451 3.317 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCO[C@@H](C(C)C)C2)cc1 ZINC000353164980 262957236 /nfs/dbraw/zinc/95/72/36/262957236.db2.gz RNZCTMSKBJTVBI-QGZVFWFLSA-N 1 1 275.392 3.108 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCO[C@@H](C(C)C)C2)cc1 ZINC000353164980 262957238 /nfs/dbraw/zinc/95/72/38/262957238.db2.gz RNZCTMSKBJTVBI-QGZVFWFLSA-N 1 1 275.392 3.108 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@H](C)C1 ZINC000282528827 263077319 /nfs/dbraw/zinc/07/73/19/263077319.db2.gz YWJSAORAKDGCHQ-GDBMZVCRSA-N 1 1 286.419 3.487 20 30 CGEDMO C=CCOc1ccc(CNCC[C@H]2CCC[NH2+]2)cc1Cl ZINC000414909666 263116107 /nfs/dbraw/zinc/11/61/07/263116107.db2.gz UBKPBAWBVWXFDL-CQSZACIVSA-N 1 1 294.826 3.137 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](Cc3ccccc3)C2)C1 ZINC000292859776 263135704 /nfs/dbraw/zinc/13/57/04/263135704.db2.gz RIVCCZFCYUHGRN-IKGGRYGDSA-N 1 1 254.377 3.243 20 30 CGEDMO C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)C[C@H](c2ccc(F)cc2)O1 ZINC000292911205 263136300 /nfs/dbraw/zinc/13/63/00/263136300.db2.gz XCJLZSCGFPHQGV-DLTLXFJOSA-N 1 1 288.366 3.280 20 30 CGEDMO C[C@@H]1C[N@H+]([C@@H]2CC[C@H](C#N)C2)C[C@H](c2ccc(F)cc2)O1 ZINC000292911205 263136301 /nfs/dbraw/zinc/13/63/01/263136301.db2.gz XCJLZSCGFPHQGV-DLTLXFJOSA-N 1 1 288.366 3.280 20 30 CGEDMO C[C@@H]1SCC[N@@H+](CCOCCC#N)[C@@H]1c1ccccc1 ZINC000293027246 263137140 /nfs/dbraw/zinc/13/71/40/263137140.db2.gz ITTBWIIVTJLIGV-HOCLYGCPSA-N 1 1 290.432 3.095 20 30 CGEDMO C[N@@H+](CCOc1ccccc1Cl)[C@@H]1CC[C@H](C#N)C1 ZINC000293389191 263139613 /nfs/dbraw/zinc/13/96/13/263139613.db2.gz GSGLQEBXECJMOF-QWHCGFSZSA-N 1 1 278.783 3.343 20 30 CGEDMO CC[N@@H+](CCOCCC#N)[C@@H](C)c1cccc(OC)c1 ZINC000293441115 263140478 /nfs/dbraw/zinc/14/04/78/263140478.db2.gz KADYDFBABGOHPB-AWEZNQCLSA-N 1 1 276.380 3.008 20 30 CGEDMO C=CCOCC[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000293687715 263147196 /nfs/dbraw/zinc/14/71/96/263147196.db2.gz WDEIQIBVZJRDHP-ZDUSSCGKSA-N 1 1 251.395 3.334 20 30 CGEDMO C[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](CCOCCC#N)C1 ZINC000293726483 263148028 /nfs/dbraw/zinc/14/80/28/263148028.db2.gz YWWXUWRKBCBBDC-WBVHZDCISA-N 1 1 272.392 3.390 20 30 CGEDMO CCn1ccnc1[C@@H]1CCCC[N@H+]1CCCSCC#N ZINC000294095427 263155840 /nfs/dbraw/zinc/15/58/40/263155840.db2.gz MBIWKBYKZLBSDX-AWEZNQCLSA-N 1 1 292.452 3.077 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000298825352 263226625 /nfs/dbraw/zinc/22/66/25/263226625.db2.gz BHUQKHWCDSEGGK-ZFWWWQNUSA-N 1 1 260.356 3.382 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCCN(CC(F)F)CC1 ZINC000341098401 263322409 /nfs/dbraw/zinc/32/24/09/263322409.db2.gz CASSEQGNLAFFJR-ZDUSSCGKSA-N 1 1 260.372 3.004 20 30 CGEDMO C=CC[C@H](C)NC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000342110879 263389032 /nfs/dbraw/zinc/38/90/32/263389032.db2.gz ZJZOAXCEVVAVHA-ZNMIVQPWSA-N 1 1 295.471 3.007 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC[C@H](C(=O)OC)c1ccccc1 ZINC000425385695 264220778 /nfs/dbraw/zinc/22/07/78/264220778.db2.gz QFMJBWLGVJKAJY-INIZCTEOSA-N 1 1 275.392 3.231 20 30 CGEDMO C[N@@H+](CC#Cc1cccc(Cl)c1)C[C@@H]1CCCOC1 ZINC000160097928 264223731 /nfs/dbraw/zinc/22/37/31/264223731.db2.gz WAHCCIOQLAASBP-HNNXBMFYSA-N 1 1 277.795 3.050 20 30 CGEDMO C=CC[N@@H+](CCOC)Cc1cccc(Cl)c1OCC ZINC000425985195 264264243 /nfs/dbraw/zinc/26/42/43/264264243.db2.gz ORDYVBYVOFUEPN-UHFFFAOYSA-N 1 1 283.799 3.373 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cccc(Cl)c1OCC ZINC000425985195 264264245 /nfs/dbraw/zinc/26/42/45/264264245.db2.gz ORDYVBYVOFUEPN-UHFFFAOYSA-N 1 1 283.799 3.373 20 30 CGEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](OC)C1CC1 ZINC000425395550 264275955 /nfs/dbraw/zinc/27/59/55/264275955.db2.gz HVQLHGIIZNZPGU-MRXNPFEDSA-N 1 1 290.363 3.008 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](C[C@H]2CCOC2)C2CC2)c1 ZINC000129949188 264332930 /nfs/dbraw/zinc/33/29/30/264332930.db2.gz VFOIXQWCSYSZIE-MRXNPFEDSA-N 1 1 287.403 3.252 20 30 CGEDMO C#CCOc1ccc([C@@H](C)[NH2+][C@H](C)Cc2cc(C)[nH]n2)cc1 ZINC000090533296 264397594 /nfs/dbraw/zinc/39/75/94/264397594.db2.gz YVYZXXYYNXDBLI-UKRRQHHQSA-N 1 1 297.402 3.012 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)NC1CCCC1 ZINC000346280478 265108025 /nfs/dbraw/zinc/10/80/25/265108025.db2.gz RZGPXJTZXQEJSU-ZDUSSCGKSA-N 1 1 292.448 3.183 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)NC1CCCC1 ZINC000346280478 265108027 /nfs/dbraw/zinc/10/80/27/265108027.db2.gz RZGPXJTZXQEJSU-ZDUSSCGKSA-N 1 1 292.448 3.183 20 30 CGEDMO C=CCCCC[N@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000519310485 265390114 /nfs/dbraw/zinc/39/01/14/265390114.db2.gz LINBNZKHLGJJEW-UHFFFAOYSA-N 1 1 272.392 3.363 20 30 CGEDMO COc1cccc2c1CC[N@@H+](Cc1cccc(C#N)c1)CC2 ZINC000193706677 270079786 /nfs/dbraw/zinc/07/97/86/270079786.db2.gz QSWMTPZZCBKODV-UHFFFAOYSA-N 1 1 292.382 3.168 20 30 CGEDMO CCCC[N@@H+]1CCCC[C@H]1CNCc1ccc(C#N)cc1 ZINC000236755137 266032877 /nfs/dbraw/zinc/03/28/77/266032877.db2.gz UYULIBHSBIVKKJ-SFHVURJKSA-N 1 1 285.435 3.302 20 30 CGEDMO CCCC[N@H+]1CCCC[C@H]1CNCc1ccc(C#N)cc1 ZINC000236755137 266032879 /nfs/dbraw/zinc/03/28/79/266032879.db2.gz UYULIBHSBIVKKJ-SFHVURJKSA-N 1 1 285.435 3.302 20 30 CGEDMO C=CC[C@H]1[N@H+](Cc2c[nH]c3nccnc23)CCCC1(C)C ZINC000356407079 266109421 /nfs/dbraw/zinc/10/94/21/266109421.db2.gz NOKWVIKYPGYHFD-CQSZACIVSA-N 1 1 284.407 3.476 20 30 CGEDMO C=CCCC1(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000356519441 266129696 /nfs/dbraw/zinc/12/96/96/266129696.db2.gz NBIRKMIXWQQFNS-INIZCTEOSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)C1CC1 ZINC000357548129 266320543 /nfs/dbraw/zinc/32/05/43/266320543.db2.gz APHMNPGEEDPLFT-UHFFFAOYSA-N 1 1 298.308 3.294 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1cccc(C(F)(F)F)c1)C1CC1 ZINC000357548129 266320547 /nfs/dbraw/zinc/32/05/47/266320547.db2.gz APHMNPGEEDPLFT-UHFFFAOYSA-N 1 1 298.308 3.294 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC ZINC000362934941 267063216 /nfs/dbraw/zinc/06/32/16/267063216.db2.gz NGWAIRQBDKEITB-HNNXBMFYSA-N 1 1 266.429 3.066 20 30 CGEDMO Cc1ccc2c(c1)C[N@H+](CCC(C)(C)C#N)CCO2 ZINC000367583196 267101656 /nfs/dbraw/zinc/10/16/56/267101656.db2.gz BFGACWGLCGVRJZ-UHFFFAOYSA-N 1 1 258.365 3.129 20 30 CGEDMO C=CC[N@H+](CCC(=O)NCCCC)Cc1ccccc1F ZINC000116273722 267136343 /nfs/dbraw/zinc/13/63/43/267136343.db2.gz CNKMRCHGNTWZEC-UHFFFAOYSA-N 1 1 292.398 3.120 20 30 CGEDMO N#CCSCCC[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000368231239 267153755 /nfs/dbraw/zinc/15/37/55/267153755.db2.gz JPKHFGLNVGGHDV-OAGGEKHMSA-N 1 1 296.480 3.039 20 30 CGEDMO COC[C@H]1CCCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000368660887 267195077 /nfs/dbraw/zinc/19/50/77/267195077.db2.gz UJOGUNIYWMERLG-AWEZNQCLSA-N 1 1 252.402 3.065 20 30 CGEDMO CC#CC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000370515647 267326190 /nfs/dbraw/zinc/32/61/90/267326190.db2.gz WNWJJEBJRWFXGN-CQSZACIVSA-N 1 1 254.333 3.378 20 30 CGEDMO CC#CC[N@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000370515647 267326193 /nfs/dbraw/zinc/32/61/93/267326193.db2.gz WNWJJEBJRWFXGN-CQSZACIVSA-N 1 1 254.333 3.378 20 30 CGEDMO C#CCC[N@@H+](C)CCCc1cc(-c2ccccc2)no1 ZINC000371195924 267368915 /nfs/dbraw/zinc/36/89/15/267368915.db2.gz QAXNWEKUTWFNDS-UHFFFAOYSA-N 1 1 268.360 3.229 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000120108507 267381723 /nfs/dbraw/zinc/38/17/23/267381723.db2.gz ORXQJYIZYZGZHR-CABCVRRESA-N 1 1 266.429 3.064 20 30 CGEDMO C[C@H]1CC(F)(F)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC000528774738 270173076 /nfs/dbraw/zinc/17/30/76/270173076.db2.gz WCJBGPRQMOWYDP-VIFPVBQESA-N 1 1 256.321 3.239 20 30 CGEDMO C[C@H]1CC(F)(F)CC[N@H+]1Cc1ccc(C#N)s1 ZINC000528774738 270173077 /nfs/dbraw/zinc/17/30/77/270173077.db2.gz WCJBGPRQMOWYDP-VIFPVBQESA-N 1 1 256.321 3.239 20 30 CGEDMO N#CCSCCC[N@@H+]1CCCn2c(cc3ccccc32)C1 ZINC000376861389 268025583 /nfs/dbraw/zinc/02/55/83/268025583.db2.gz SGXXRFBVIJXLKH-UHFFFAOYSA-N 1 1 299.443 3.494 20 30 CGEDMO N#CCSCCC[N@H+]1CCCn2c(cc3ccccc32)C1 ZINC000376861389 268025586 /nfs/dbraw/zinc/02/55/86/268025586.db2.gz SGXXRFBVIJXLKH-UHFFFAOYSA-N 1 1 299.443 3.494 20 30 CGEDMO C=CC[C@H](C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000376936617 268031581 /nfs/dbraw/zinc/03/15/81/268031581.db2.gz DRUNULDYIXHUEE-KURKYZTESA-N 1 1 298.430 3.089 20 30 CGEDMO CCC[N@@H+]1CCC[C@H]1CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353582556 276012187 /nfs/dbraw/zinc/01/21/87/276012187.db2.gz SKGHKJXULHLJDJ-FUHWJXTLSA-N 1 1 283.419 3.010 20 30 CGEDMO CCC[N@H+]1CCC[C@H]1CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353582556 276012188 /nfs/dbraw/zinc/01/21/88/276012188.db2.gz SKGHKJXULHLJDJ-FUHWJXTLSA-N 1 1 283.419 3.010 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000334656064 277120914 /nfs/dbraw/zinc/12/09/14/277120914.db2.gz SMGGQFWVFLKRIU-CQSZACIVSA-N 1 1 252.427 3.145 20 30 CGEDMO C=CC[NH+](CC=C)CC(=O)N(C1CC1)C1CCC(C)CC1 ZINC000354843694 277847064 /nfs/dbraw/zinc/84/70/64/277847064.db2.gz BWDNNBGOZJPPFV-UHFFFAOYSA-N 1 1 290.451 3.230 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)N1CC[N@H+]([C@H]2C[C@H]2C)C[C@H](C)C1 ZINC000429047252 278309571 /nfs/dbraw/zinc/30/95/71/278309571.db2.gz YLMWSCPWKMEUIT-NNFUDEMPSA-N 1 1 297.446 3.281 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCOC2(CCCC2)C1 ZINC000275777527 278310010 /nfs/dbraw/zinc/31/00/10/278310010.db2.gz ZMZPDOXQSYLZTI-CQSZACIVSA-N 1 1 270.376 3.264 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451695328 278310109 /nfs/dbraw/zinc/31/01/09/278310109.db2.gz DOGFWGQMTRHYHO-ZSGPHXLJSA-N 1 1 284.403 3.102 20 30 CGEDMO C[C@H](CCC#N)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000351435523 279252979 /nfs/dbraw/zinc/25/29/79/279252979.db2.gz YEKVJKWULHGKOP-ZACQAIPSSA-N 1 1 277.456 3.265 20 30 CGEDMO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191406644 280120680 /nfs/dbraw/zinc/12/06/80/280120680.db2.gz ALKCALITKFWOPQ-KBXCAEBGSA-N 1 1 279.387 3.275 20 30 CGEDMO CCC(CC)[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000552829387 289199792 /nfs/dbraw/zinc/19/97/92/289199792.db2.gz IYYXTYGPGVOJOE-UHFFFAOYSA-N 1 1 285.391 3.150 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](OC(F)F)C2)c(Cl)c1 ZINC000555077263 289327142 /nfs/dbraw/zinc/32/71/42/289327142.db2.gz MMPBSEWWJKHGHE-NSHDSACASA-N 1 1 286.709 3.025 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](OC(F)F)C2)c(Cl)c1 ZINC000555077263 289327143 /nfs/dbraw/zinc/32/71/43/289327143.db2.gz MMPBSEWWJKHGHE-NSHDSACASA-N 1 1 286.709 3.025 20 30 CGEDMO C[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(C#N)cc1 ZINC000181859926 290049415 /nfs/dbraw/zinc/04/94/15/290049415.db2.gz CCDWPUCWVOBBSS-JQFCIGGWSA-N 1 1 271.408 3.082 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000246672937 290222044 /nfs/dbraw/zinc/22/20/44/290222044.db2.gz MFAGDEVHMFQKFH-XOKHGSTOSA-N 1 1 270.376 3.120 20 30 CGEDMO N#CC1(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)CCC1 ZINC000336202951 303142196 /nfs/dbraw/zinc/14/21/96/303142196.db2.gz RRCPUYDESFHLRH-STQMWFEESA-N 1 1 250.411 3.040 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000531614478 328019343 /nfs/dbraw/zinc/01/93/43/328019343.db2.gz ILTATEVOOOUADH-NVXWUHKLSA-N 1 1 259.393 3.323 20 30 CGEDMO C=C(C)CCNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000563365432 328059240 /nfs/dbraw/zinc/05/92/40/328059240.db2.gz YMWRCIKSLARPOU-AWEZNQCLSA-N 1 1 280.799 3.025 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000411267099 328081358 /nfs/dbraw/zinc/08/13/58/328081358.db2.gz KQWJHRFWTBXJAV-GDBMZVCRSA-N 1 1 258.365 3.222 20 30 CGEDMO N#CC1(CC[N@H+](CCO)[C@H]2CCCSC2)CCCCC1 ZINC000411665512 328098117 /nfs/dbraw/zinc/09/81/17/328098117.db2.gz KKGVPFZDCVOAOL-HNNXBMFYSA-N 1 1 296.480 3.040 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412084343 328103235 /nfs/dbraw/zinc/10/32/35/328103235.db2.gz YUPMRBOQEGTRQJ-ZDUSSCGKSA-N 1 1 253.386 3.006 20 30 CGEDMO C[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1ccc(OCC#N)cc1 ZINC000271852758 328198133 /nfs/dbraw/zinc/19/81/33/328198133.db2.gz IUVCPLBKECMQPA-LRDDRELGSA-N 1 1 296.374 3.040 20 30 CGEDMO CC[N@@H+](Cc1ccc(OC)cc1)[C@H]1CC[C@@H](C#N)C1 ZINC000293556647 328276573 /nfs/dbraw/zinc/27/65/73/328276573.db2.gz RQNWZLUEEUEKCA-CABCVRRESA-N 1 1 258.365 3.209 20 30 CGEDMO C[C@@H]1CCCCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000565047876 322057113 /nfs/dbraw/zinc/05/71/13/322057113.db2.gz XUUHQUTXNUOWGX-GFCCVEGCSA-N 1 1 273.336 3.231 20 30 CGEDMO C[C@H](C[NH+]1CCC(C)CC1)N[C@@H](C)c1cccc(C#N)c1 ZINC000565243678 322069563 /nfs/dbraw/zinc/06/95/63/322069563.db2.gz DUXXPVNMCRGJOQ-CVEARBPZSA-N 1 1 285.435 3.329 20 30 CGEDMO CCC[C@]1(C)CCC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000565421709 322076800 /nfs/dbraw/zinc/07/68/00/322076800.db2.gz AWFGBMOYDVBMQQ-QGZVFWFLSA-N 1 1 297.406 3.003 20 30 CGEDMO CN(C[C@H]1CCC[N@@H+](C)C1)c1cccc(C(F)F)c1C#N ZINC000565785215 322090990 /nfs/dbraw/zinc/09/09/90/322090990.db2.gz QCHIZDCFKIUYMS-LBPRGKRZSA-N 1 1 293.361 3.274 20 30 CGEDMO CCC[N@@H+](CC)C[C@@H](C)Nc1c(F)cc(C#N)cc1F ZINC000567092628 322150138 /nfs/dbraw/zinc/15/01/38/322150138.db2.gz QRAFUYUKKCJUDZ-LLVKDONJSA-N 1 1 281.350 3.369 20 30 CGEDMO Cn1c[nH+]cc1CCCSc1ccccc1C#N ZINC000567180675 322153500 /nfs/dbraw/zinc/15/35/00/322153500.db2.gz QOJNWXQEJIGIKR-UHFFFAOYSA-N 1 1 257.362 3.017 20 30 CGEDMO CCCCC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000567246633 322155939 /nfs/dbraw/zinc/15/59/39/322155939.db2.gz PJJYSDNWLFGAIF-MRXNPFEDSA-N 1 1 257.381 3.498 20 30 CGEDMO CC1=C[C@@H](C)C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000571282137 322294666 /nfs/dbraw/zinc/29/46/66/322294666.db2.gz VSQKZPOVEGXQMX-GFCCVEGCSA-N 1 1 294.358 3.006 20 30 CGEDMO CC1=C[C@@H](C)C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000571282137 322294667 /nfs/dbraw/zinc/29/46/67/322294667.db2.gz VSQKZPOVEGXQMX-GFCCVEGCSA-N 1 1 294.358 3.006 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(-n2nc(C)cc2C)cc1 ZINC000584181411 327060921 /nfs/dbraw/zinc/06/09/21/327060921.db2.gz YDVFWNRJZARYRV-MRXNPFEDSA-N 1 1 282.391 3.271 20 30 CGEDMO C=C(CC)C[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000313479667 327133321 /nfs/dbraw/zinc/13/33/21/327133321.db2.gz HFQVBMMWNAMGDH-UHFFFAOYSA-N 1 1 272.436 3.249 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(OCC(F)(F)F)nc1 ZINC000119774744 327267415 /nfs/dbraw/zinc/26/74/15/327267415.db2.gz CVZYBLLRCQNTLJ-UHFFFAOYSA-N 1 1 288.313 3.421 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)cc1 ZINC000377626409 329021544 /nfs/dbraw/zinc/02/15/44/329021544.db2.gz KONXSZNQJIOTNS-QGZVFWFLSA-N 1 1 265.360 3.118 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)cc1 ZINC000377626409 329021545 /nfs/dbraw/zinc/02/15/45/329021545.db2.gz KONXSZNQJIOTNS-QGZVFWFLSA-N 1 1 265.360 3.118 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC=C(c2ccc(OC)cc2)CC1 ZINC000378158903 329041745 /nfs/dbraw/zinc/04/17/45/329041745.db2.gz HEEIACXXDACCQA-KRWDZBQOSA-N 1 1 287.403 3.111 20 30 CGEDMO Cc1ccnc([C@H]2CC[N@@H+](CCC(C)(C)C#N)C2)c1 ZINC000584358902 329103661 /nfs/dbraw/zinc/10/36/61/329103661.db2.gz KQEZOIPHKRSKGY-AWEZNQCLSA-N 1 1 257.381 3.119 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cccc(OCCCOC)c1 ZINC000181042845 329225161 /nfs/dbraw/zinc/22/51/61/329225161.db2.gz YJNOGETVKNWIMW-UHFFFAOYSA-N 1 1 263.381 3.110 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1c[nH]nc1-c1ccccc1F ZINC000181050973 329225385 /nfs/dbraw/zinc/22/53/85/329225385.db2.gz GJGDRCRBOCZNNZ-UHFFFAOYSA-N 1 1 259.328 3.224 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(Oc2cnccn2)cc1 ZINC000181047992 329225399 /nfs/dbraw/zinc/22/53/99/329225399.db2.gz KPSJZLRYPFDELB-UHFFFAOYSA-N 1 1 269.348 3.277 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1coc(-c2ccc(OC)cc2)n1 ZINC000181259650 329228037 /nfs/dbraw/zinc/22/80/37/329228037.db2.gz BLAPEFXSGAXTQB-UHFFFAOYSA-N 1 1 272.348 3.358 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1coc(-c2ccc(OC)cc2)n1 ZINC000181259650 329228039 /nfs/dbraw/zinc/22/80/39/329228039.db2.gz BLAPEFXSGAXTQB-UHFFFAOYSA-N 1 1 272.348 3.358 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)C[C@@H](O)CC1CCCC1 ZINC000190628974 329399910 /nfs/dbraw/zinc/39/99/10/329399910.db2.gz UFHVJXIYYUDUJU-INIZCTEOSA-N 1 1 266.429 3.189 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+]Cc1ccc2sccc2c1 ZINC000583844333 329489516 /nfs/dbraw/zinc/48/95/16/329489516.db2.gz DFTCORNCMBGGFI-CYBMUJFWSA-N 1 1 269.373 3.434 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000274798601 330107847 /nfs/dbraw/zinc/10/78/47/330107847.db2.gz UKZZZBUCXFZPDS-UHFFFAOYSA-N 1 1 286.419 3.109 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H]1c1nc(C(=O)OCC)cs1 ZINC000191453529 330142567 /nfs/dbraw/zinc/14/25/67/330142567.db2.gz SSFNCGSRGZMFPW-LBPRGKRZSA-N 1 1 280.393 3.033 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1c1nc(C(=O)OCC)cs1 ZINC000191453529 330142568 /nfs/dbraw/zinc/14/25/68/330142568.db2.gz SSFNCGSRGZMFPW-LBPRGKRZSA-N 1 1 280.393 3.033 20 30 CGEDMO C=CCn1cc(C[NH2+][C@H](CC)c2ccc(Cl)cc2)nn1 ZINC000424147569 330293933 /nfs/dbraw/zinc/29/39/33/330293933.db2.gz YGNDLZHLSZPVEA-OAHLLOKOSA-N 1 1 290.798 3.358 20 30 CGEDMO C=CCn1cc(C[NH2+][C@H]2CCC(C)(C)c3ccccc32)nn1 ZINC000424299508 330336795 /nfs/dbraw/zinc/33/67/95/330336795.db2.gz VMFXPSHTTOSRRW-KRWDZBQOSA-N 1 1 296.418 3.366 20 30 CGEDMO C=C(C)CN1C[C@@H](CC)[N@H+](CC(=C)C)C[C@H]1CC ZINC000119065233 330369634 /nfs/dbraw/zinc/36/96/34/330369634.db2.gz BGKNOBQXBASVCI-HZPDHXFCSA-N 1 1 250.430 3.313 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000120421168 330388544 /nfs/dbraw/zinc/38/85/44/330388544.db2.gz ZHVFXBQKYCKMTK-ZBFHGGJFSA-N 1 1 295.810 3.120 20 30 CGEDMO CC(C)(C#N)CC[NH2+]C(C)(C)c1cc(C(F)(F)F)on1 ZINC000429229034 330540476 /nfs/dbraw/zinc/54/04/76/330540476.db2.gz BDKBURWDNPQODI-UHFFFAOYSA-N 1 1 289.301 3.458 20 30 CGEDMO N#C[C@H]1CC[C@@H]([NH2+]Cc2coc(-c3cccs3)n2)C1 ZINC000442789227 330783734 /nfs/dbraw/zinc/78/37/34/330783734.db2.gz JQMMGEGLDWYVQZ-WDEREUQCSA-N 1 1 273.361 3.185 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H](O)[C@H](C)c1ccccc1 ZINC000450875584 331004078 /nfs/dbraw/zinc/00/40/78/331004078.db2.gz FMFNAADEFNWILJ-OIISXLGYSA-N 1 1 259.393 3.192 20 30 CGEDMO CC(C)(CO)[C@H]([NH2+]CC1(C#N)CCC1)c1cccs1 ZINC000451036256 331012858 /nfs/dbraw/zinc/01/28/58/331012858.db2.gz HNCXUUFHAYGMCX-CYBMUJFWSA-N 1 1 278.421 3.091 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCN(C2CC2)C[C@@H](C)C1 ZINC000451089882 331015461 /nfs/dbraw/zinc/01/54/61/331015461.db2.gz FTUPQYIPNWLDIK-GJZGRUSLSA-N 1 1 250.430 3.147 20 30 CGEDMO C=C(CC)C[N@@H+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC000451337008 331024838 /nfs/dbraw/zinc/02/48/38/331024838.db2.gz WPMPNOCLGWKXGI-CQSZACIVSA-N 1 1 253.773 3.271 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451377905 331026464 /nfs/dbraw/zinc/02/64/64/331026464.db2.gz XSCRTMAUGADFBE-AESZEHBQSA-N 1 1 258.409 3.460 20 30 CGEDMO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000451607728 331036476 /nfs/dbraw/zinc/03/64/76/331036476.db2.gz QIEFQSDSDJEUNU-CFVMTHIKSA-N 1 1 284.359 3.336 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451704431 331039765 /nfs/dbraw/zinc/03/97/65/331039765.db2.gz XGRGMARVSNSBSO-ZJIFWQFVSA-N 1 1 251.414 3.214 20 30 CGEDMO CC[C@@H]1C[N@@H+](CC)CCN1CC#Cc1cccc(Cl)c1 ZINC000451740499 331040850 /nfs/dbraw/zinc/04/08/50/331040850.db2.gz METXUNMTQWRZMI-QGZVFWFLSA-N 1 1 290.838 3.108 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000451974137 331049104 /nfs/dbraw/zinc/04/91/04/331049104.db2.gz RTZUORROWKLBGX-CZUORRHYSA-N 1 1 281.346 3.429 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](N(C)Cc2ccccc2C(C)(C)C#N)C1 ZINC000452121942 331054926 /nfs/dbraw/zinc/05/49/26/331054926.db2.gz TYKJEHZJSDTBEU-QGZVFWFLSA-N 1 1 299.462 3.402 20 30 CGEDMO CC(C)[C@@H]1[N@@H+](C[C@H](C#N)CCC#N)CC12CCCC2 ZINC000453034116 331084341 /nfs/dbraw/zinc/08/43/41/331084341.db2.gz JAYALGFIWLOGGE-GJZGRUSLSA-N 1 1 259.397 3.331 20 30 CGEDMO C=CCC1(C[NH2+][C@H]2CCN(C)C[C@H]2C)CCCC1 ZINC000453385600 331126517 /nfs/dbraw/zinc/12/65/17/331126517.db2.gz UVBJISRDNHXCME-CABCVRRESA-N 1 1 250.430 3.053 20 30 CGEDMO CC(C)(C)OC(=O)[C@]1(C)CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000453627968 331137292 /nfs/dbraw/zinc/13/72/92/331137292.db2.gz WRSBYMNYIKEXFM-QGZVFWFLSA-N 1 1 294.439 3.370 20 30 CGEDMO Cc1noc(C)c1CC[N@H+](CCC#N)CC(C)(C)C ZINC000166001242 331306515 /nfs/dbraw/zinc/30/65/15/331306515.db2.gz XHZSQBFWFVHDKR-UHFFFAOYSA-N 1 1 263.385 3.096 20 30 CGEDMO Cc1noc(C)c1CC[N@@H+](CCC#N)CC(C)(C)C ZINC000166001242 331306516 /nfs/dbraw/zinc/30/65/16/331306516.db2.gz XHZSQBFWFVHDKR-UHFFFAOYSA-N 1 1 263.385 3.096 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CCCCCn1cc(C)cn1 ZINC000489466202 332054375 /nfs/dbraw/zinc/05/43/75/332054375.db2.gz WXUJXHZBXNFKDU-MRXNPFEDSA-N 1 1 261.413 3.402 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CCc1nc(-c2ccccc2)no1 ZINC000489500623 332056945 /nfs/dbraw/zinc/05/69/45/332056945.db2.gz SOTUDXBILVLELZ-HNNXBMFYSA-N 1 1 283.375 3.320 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(C(=O)OC)sc1C ZINC000489517303 332057782 /nfs/dbraw/zinc/05/77/82/332057782.db2.gz UMVOSPQNECSSJD-ZDUSSCGKSA-N 1 1 279.405 3.384 20 30 CGEDMO Clc1ccccc1C#CC[N@H+]1CC[C@@H](C2CC2)C1 ZINC000491141013 332155065 /nfs/dbraw/zinc/15/50/65/332155065.db2.gz UUXCSNIPMHJNNH-OAHLLOKOSA-N 1 1 259.780 3.423 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)C[C@@H]2C[C@H]2c2ccccc2)n1 ZINC000491314873 332188372 /nfs/dbraw/zinc/18/83/72/332188372.db2.gz JKCOGVHPTUIOSL-HKUYNNGSSA-N 1 1 293.414 3.142 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000491662770 332271996 /nfs/dbraw/zinc/27/19/96/332271996.db2.gz RHGNFSUXIRKZCL-SNVBAGLBSA-N 1 1 299.201 3.276 20 30 CGEDMO C#CC[NH+]1CCC(c2nc([C@@H]3CCCC[C@H]3C)no2)CC1 ZINC000491746372 332324057 /nfs/dbraw/zinc/32/40/57/332324057.db2.gz VBXBZQDOKLYQIW-UKRRQHHQSA-N 1 1 287.407 3.176 20 30 CGEDMO Cc1ccc2[nH]c(C[NH2+]CC3(C#N)CC3)cc2c1C ZINC000575736928 335110269 /nfs/dbraw/zinc/11/02/69/335110269.db2.gz OGVPPMDWQYEREE-UHFFFAOYSA-N 1 1 253.349 3.178 20 30 CGEDMO C[C@H]1C[C@@]1([NH2+]CC1(C#N)CC1)c1ccc(Cl)cc1 ZINC000503378238 332687913 /nfs/dbraw/zinc/68/79/13/332687913.db2.gz SAUVAUBQCMLBEE-NHYWBVRUSA-N 1 1 260.768 3.468 20 30 CGEDMO Cc1ccccc1C[NH+]1CCN(CCCC(C)(C)C#N)CC1 ZINC000174810350 333007740 /nfs/dbraw/zinc/00/77/40/333007740.db2.gz CZBFRHXGKCEACL-UHFFFAOYSA-N 1 1 299.462 3.443 20 30 CGEDMO CCO[C@H]1C[C@@H]([N@@H+](C)CCCC(C)(C)C#N)C1(C)C ZINC000174872449 333009675 /nfs/dbraw/zinc/00/96/75/333009675.db2.gz CSQVKCZJMCGMAQ-KGLIPLIRSA-N 1 1 266.429 3.452 20 30 CGEDMO C[N@@H+](CCCOCc1ccccc1)CC(C)(C)C#N ZINC000405169643 333041908 /nfs/dbraw/zinc/04/19/08/333041908.db2.gz XSQUJPQXILBVFP-UHFFFAOYSA-N 1 1 260.381 3.075 20 30 CGEDMO C=CCOCC[N@@H+](Cc1ccccc1)[C@H](C)C1CC1 ZINC000516982479 333088728 /nfs/dbraw/zinc/08/87/28/333088728.db2.gz AVBQSBXJDLNYRJ-OAHLLOKOSA-N 1 1 259.393 3.490 20 30 CGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCCC1 ZINC000185481217 333141509 /nfs/dbraw/zinc/14/15/09/333141509.db2.gz FGZOGSSYXSDXMH-KRWDZBQOSA-N 1 1 289.419 3.029 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000185521147 333142841 /nfs/dbraw/zinc/14/28/41/333142841.db2.gz FJUJNAFFEYPXOO-JKSUJKDBSA-N 1 1 288.435 3.225 20 30 CGEDMO C=C1CC[NH+](CC(=O)N(CCCC)CCCC)CC1 ZINC000521743128 333186439 /nfs/dbraw/zinc/18/64/39/333186439.db2.gz CTJSODYBTYZTRT-UHFFFAOYSA-N 1 1 266.429 3.067 20 30 CGEDMO C[C@@H]([N@@H+](C)CCCC1(C#N)CCOCC1)C(C)(C)C ZINC000521827178 333190615 /nfs/dbraw/zinc/19/06/15/333190615.db2.gz HGVMALOQTLLXQK-CQSZACIVSA-N 1 1 266.429 3.453 20 30 CGEDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1CCCCC(C)(C)C#N ZINC000235258111 333367000 /nfs/dbraw/zinc/36/70/00/333367000.db2.gz PNZPGJBUAWKTCU-HUUCEWRRSA-N 1 1 266.429 3.332 20 30 CGEDMO Clc1ccc(C#CC[N@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1 ZINC000575926860 335132104 /nfs/dbraw/zinc/13/21/04/335132104.db2.gz LHNTUQHIWIXBLD-IRXDYDNUSA-N 1 1 289.806 3.335 20 30 CGEDMO OCCCC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000543915540 333905839 /nfs/dbraw/zinc/90/58/39/333905839.db2.gz CLGRTRRLJHAIRH-UHFFFAOYSA-N 1 1 291.822 3.176 20 30 CGEDMO CC#CCC[N@@H+]1CCC[C@H]1Cc1cccc(OC)c1 ZINC000546611871 334040154 /nfs/dbraw/zinc/04/01/54/334040154.db2.gz ZBEIETYKMKEOAZ-INIZCTEOSA-N 1 1 257.377 3.116 20 30 CGEDMO C=CC[C@@H](CC)NC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000546659242 334044197 /nfs/dbraw/zinc/04/41/97/334044197.db2.gz YSCQNDQWUPNMHO-MRXNPFEDSA-N 1 1 295.471 3.103 20 30 CGEDMO C=CCCC[N@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000133603298 334047364 /nfs/dbraw/zinc/04/73/64/334047364.db2.gz TTZXFMSIFXRUCT-UHFFFAOYSA-N 1 1 255.365 3.475 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000076733840 334087993 /nfs/dbraw/zinc/08/79/93/334087993.db2.gz QTWVCVKDYLJHSS-GOSISDBHSA-N 1 1 286.419 3.152 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000135090468 334115049 /nfs/dbraw/zinc/11/50/49/334115049.db2.gz DSSANWSDVRAJSH-HLLBOEOZSA-N 1 1 278.440 3.062 20 30 CGEDMO CC/C=C\CC[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000342250287 335178697 /nfs/dbraw/zinc/17/86/97/335178697.db2.gz PGDCGGAZWOATTI-PLNGDYQASA-N 1 1 272.392 3.363 20 30 CGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2[C@H](C)C[C@@H]2C)c1C ZINC000548424497 334155778 /nfs/dbraw/zinc/15/57/78/334155778.db2.gz OFAZOUKNEINTOP-GASCZTMLSA-N 1 1 299.418 3.033 20 30 CGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2[C@H](C)C[C@@H]2C)c1C ZINC000548424497 334155780 /nfs/dbraw/zinc/15/57/80/334155780.db2.gz OFAZOUKNEINTOP-GASCZTMLSA-N 1 1 299.418 3.033 20 30 CGEDMO C=C(CC)C[N@@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000550251359 334217423 /nfs/dbraw/zinc/21/74/23/334217423.db2.gz WRAYNJPDRUZKQH-GFCCVEGCSA-N 1 1 265.319 3.384 20 30 CGEDMO C=C(CC)C[N@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000550251359 334217425 /nfs/dbraw/zinc/21/74/25/334217425.db2.gz WRAYNJPDRUZKQH-GFCCVEGCSA-N 1 1 265.319 3.384 20 30 CGEDMO Cc1cc2cc(C[NH2+]C[C@@H](C#N)CCC#N)ccc2[nH]1 ZINC000552024469 334278016 /nfs/dbraw/zinc/27/80/16/334278016.db2.gz XXWWQXVINFAOLC-CQSZACIVSA-N 1 1 266.348 3.009 20 30 CGEDMO C[N@H+](Cc1ccc(OCC2CC2)cc1)CC(C)(C)C#N ZINC000552085885 334287301 /nfs/dbraw/zinc/28/73/01/334287301.db2.gz PXMZLXQOJHLWGT-UHFFFAOYSA-N 1 1 272.392 3.457 20 30 CGEDMO C[N@@H+](Cc1ccc(OCC2CC2)cc1)CC(C)(C)C#N ZINC000552085885 334287303 /nfs/dbraw/zinc/28/73/03/334287303.db2.gz PXMZLXQOJHLWGT-UHFFFAOYSA-N 1 1 272.392 3.457 20 30 CGEDMO N#CCC[NH2+][C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000567710306 334754390 /nfs/dbraw/zinc/75/43/90/334754390.db2.gz IQENNSCSMVNKOG-SNVBAGLBSA-N 1 1 284.190 3.075 20 30 CGEDMO C=CCC[C@H]([NH2+]C1CCN(CC(C)C)CC1)C1CC1 ZINC000178674243 335444377 /nfs/dbraw/zinc/44/43/77/335444377.db2.gz PNNGLPROUWFKKY-KRWDZBQOSA-N 1 1 264.457 3.441 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCCOc2c(F)cccc21 ZINC000581127323 336012034 /nfs/dbraw/zinc/01/20/34/336012034.db2.gz ZHDSZNSUNUECQQ-SWLSCSKDSA-N 1 1 287.338 3.073 20 30 CGEDMO N#CCC[NH2+][C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000581306027 336044182 /nfs/dbraw/zinc/04/41/82/336044182.db2.gz KILKUTGRLZQZFN-JOYOIKCWSA-N 1 1 255.148 3.353 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)CC1(SC)CC1 ZINC000289346536 500577466 /nfs/dbraw/zinc/57/74/66/500577466.db2.gz MNPZKEKOYOJHSL-UHFFFAOYSA-N 1 1 272.417 3.442 20 30 CGEDMO COc1cc(C[NH2+][C@H]2C[C@@]2(F)c2ccccc2)ccc1C#N ZINC000424208733 533909548 /nfs/dbraw/zinc/90/95/48/533909548.db2.gz YTAIGAZNNPTXLR-ZWKOTPCHSA-N 1 1 296.345 3.294 20 30 CGEDMO C[C@@H]1CC[C@@](CO)([N@@H+](C)Cc2ccc(C#N)cc2Cl)C1 ZINC000439450782 534203284 /nfs/dbraw/zinc/20/32/84/534203284.db2.gz WYGIJUAUAYFHAW-MLGOLLRUSA-N 1 1 292.810 3.195 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)CCCc2cccc(F)c2)n1 ZINC000279743025 518344725 /nfs/dbraw/zinc/34/47/25/518344725.db2.gz PBOPIMZCLZRICE-UHFFFAOYSA-N 1 1 299.393 3.110 20 30 CGEDMO CC[C@H](CSC)[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000157973311 522270045 /nfs/dbraw/zinc/27/00/45/522270045.db2.gz OCIUNIKXDSRSNQ-OAHLLOKOSA-N 1 1 292.448 3.401 20 30 CGEDMO COc1cc(C[N@H+]2CC[C@@H](c3ccco3)C2)ccc1C#N ZINC000374242298 522392887 /nfs/dbraw/zinc/39/28/87/522392887.db2.gz VWRDTICGBTXJEQ-OAHLLOKOSA-N 1 1 282.343 3.149 20 30 CGEDMO C[C@@H](C[N@@H+](C)Cc1ccc(F)c(C#N)c1)c1nccs1 ZINC000183956981 524572922 /nfs/dbraw/zinc/57/29/22/524572922.db2.gz JXCMLRBFVHUNCH-NSHDSACASA-N 1 1 289.379 3.389 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccccc1C(F)(F)F ZINC000195000075 526299712 /nfs/dbraw/zinc/29/97/12/526299712.db2.gz HANXKSNFVFMXRP-UHFFFAOYSA-N 1 1 273.298 3.340 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)Cc1c[nH]c2nccnc12 ZINC000356059681 526314325 /nfs/dbraw/zinc/31/43/25/526314325.db2.gz QHXDNYWRRLUUDB-UHFFFAOYSA-N 1 1 292.386 3.140 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc([N+](=O)[O-])cc1 ZINC000352701158 526326681 /nfs/dbraw/zinc/32/66/81/526326681.db2.gz FNPJHRPWCNIUAH-UHFFFAOYSA-N 1 1 286.331 3.419 20 30 CGEDMO C=CCOCCC[N@H+](Cc1ccc(OC)cc1)C1CC1 ZINC000347967628 526748992 /nfs/dbraw/zinc/74/89/92/526748992.db2.gz PQFBZIARIYAYNG-UHFFFAOYSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CCOCCC[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000347958883 526753125 /nfs/dbraw/zinc/75/31/25/526753125.db2.gz CYFHUHGJXAOISC-CYBMUJFWSA-N 1 1 266.410 3.263 20 30 CGEDMO C=CCOCCC[N@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000347260031 526758516 /nfs/dbraw/zinc/75/85/16/526758516.db2.gz ZWXNNXIXUPPVBO-ZBFHGGJFSA-N 1 1 260.381 3.057 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](O)C23CCCC3)cc1 ZINC000353996112 526872089 /nfs/dbraw/zinc/87/20/89/526872089.db2.gz AAJWJTTYRMFPQL-QGZVFWFLSA-N 1 1 287.403 3.131 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2C[C@@H](CC)O[C@@H](C)C2)c1 ZINC000352727842 526902437 /nfs/dbraw/zinc/90/24/37/526902437.db2.gz ZYJSMLZLQQVCRL-GOEBONIOSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2C[C@@H](CC)O[C@@H](C)C2)c1 ZINC000352727842 526902441 /nfs/dbraw/zinc/90/24/41/526902441.db2.gz ZYJSMLZLQQVCRL-GOEBONIOSA-N 1 1 275.392 3.251 20 30 CGEDMO CC(C)(CCC#N)C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000192931976 526999130 /nfs/dbraw/zinc/99/91/30/526999130.db2.gz JGANAAARESPBBJ-SFHVURJKSA-N 1 1 299.462 3.428 20 30 CGEDMO C#CCOc1ccc(C[NH2+]Cc2csc(CC)n2)cc1 ZINC000113339729 527105042 /nfs/dbraw/zinc/10/50/42/527105042.db2.gz LYMVWWNXSSJAKW-UHFFFAOYSA-N 1 1 286.400 3.007 20 30 CGEDMO C=CCCCCC[N@@H+](C)Cc1cn(C(C)C)nn1 ZINC000347853025 527129625 /nfs/dbraw/zinc/12/96/25/527129625.db2.gz BEOGLUWGTGXKIF-UHFFFAOYSA-N 1 1 250.390 3.037 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cn(C(C)C)nn1 ZINC000347853025 527129627 /nfs/dbraw/zinc/12/96/27/527129627.db2.gz BEOGLUWGTGXKIF-UHFFFAOYSA-N 1 1 250.390 3.037 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000347075201 527275079 /nfs/dbraw/zinc/27/50/79/527275079.db2.gz GRQWYWGVMREMIA-RDJZCZTQSA-N 1 1 274.408 3.417 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nnc(-c2cc(C)oc2C)o1 ZINC000332184854 527456332 /nfs/dbraw/zinc/45/63/32/527456332.db2.gz NWAQKMREKSMBRC-CYBMUJFWSA-N 1 1 287.363 3.487 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2cc(C)oc2C)o1 ZINC000332184854 527456337 /nfs/dbraw/zinc/45/63/37/527456337.db2.gz NWAQKMREKSMBRC-CYBMUJFWSA-N 1 1 287.363 3.487 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H](O)CC12CCC2 ZINC000334988305 527498452 /nfs/dbraw/zinc/49/84/52/527498452.db2.gz RGAGBDGRDUGODT-INIZCTEOSA-N 1 1 298.430 3.367 20 30 CGEDMO CCC[N@@H+](CC)C[C@@H](C)Nc1nc(C)cc(C)c1C#N ZINC000357775703 527992103 /nfs/dbraw/zinc/99/21/03/527992103.db2.gz QRTOGJCYAMTUOH-CQSZACIVSA-N 1 1 274.412 3.102 20 30 CGEDMO CC[N@@H+](CCC1(O)CCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000411116378 528406090 /nfs/dbraw/zinc/40/60/90/528406090.db2.gz UAHMURSROITDSM-CQSZACIVSA-N 1 1 272.392 3.246 20 30 CGEDMO CC[C@](C)(C#N)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000354546438 529352759 /nfs/dbraw/zinc/35/27/59/529352759.db2.gz UZCRQQXEPFEOFE-GOSISDBHSA-N 1 1 299.418 3.202 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000740877328 571890694 /nfs/dbraw/zinc/89/06/94/571890694.db2.gz AZRVNIDLSUITDM-VXGBXAGGSA-N 1 1 267.335 3.344 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000725799458 572407311 /nfs/dbraw/zinc/40/73/11/572407311.db2.gz UZHRHSPPSUTVJP-CABCVRRESA-N 1 1 294.439 3.426 20 30 CGEDMO C[N@@H+](CCc1ccccc1F)Cc1ccc(OCC#N)cc1 ZINC000731670496 572421615 /nfs/dbraw/zinc/42/16/15/572421615.db2.gz NYNYAHKZNHRLPJ-UHFFFAOYSA-N 1 1 298.361 3.403 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000739887590 572426044 /nfs/dbraw/zinc/42/60/44/572426044.db2.gz VDBYRCISKCAKDJ-UHFFFAOYSA-N 1 1 277.364 3.299 20 30 CGEDMO CCCCCCCC[N@@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000740878422 572464794 /nfs/dbraw/zinc/46/47/94/572464794.db2.gz DXKVNHGIDIZRCP-CPUCHLNUSA-N 1 1 259.459 3.188 20 30 CGEDMO CCCCCCCC[N@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000740878422 572464796 /nfs/dbraw/zinc/46/47/96/572464796.db2.gz DXKVNHGIDIZRCP-CPUCHLNUSA-N 1 1 259.459 3.188 20 30 CGEDMO CCCCCCCCCC(=O)N1CC[NH+](C2CC2)CC1 ZINC000742442825 572583405 /nfs/dbraw/zinc/58/34/05/572583405.db2.gz VPTRLWGBKGLIJX-UHFFFAOYSA-N 1 1 280.456 3.434 20 30 CGEDMO C#CC[N@H+](Cc1cn(-c2ccccc2)nn1)C1CCCCC1 ZINC000726789638 572598778 /nfs/dbraw/zinc/59/87/78/572598778.db2.gz RDPZVLCCRPTUTQ-UHFFFAOYSA-N 1 1 294.402 3.035 20 30 CGEDMO C#CC[N@@H+](Cc1cn(-c2ccccc2)nn1)C1CCCCC1 ZINC000726789638 572598780 /nfs/dbraw/zinc/59/87/80/572598780.db2.gz RDPZVLCCRPTUTQ-UHFFFAOYSA-N 1 1 294.402 3.035 20 30 CGEDMO C=C(Br)C[N@@H+](C)[C@@H]1CCc2ccccc2C1 ZINC000734057878 572627206 /nfs/dbraw/zinc/62/72/06/572627206.db2.gz CLPVOAJWLJDTRR-CQSZACIVSA-N 1 1 280.209 3.384 20 30 CGEDMO C=C(Br)C[N@H+](C)[C@@H]1CCc2ccccc2C1 ZINC000734057878 572627210 /nfs/dbraw/zinc/62/72/10/572627210.db2.gz CLPVOAJWLJDTRR-CQSZACIVSA-N 1 1 280.209 3.384 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCC1N=Nc1ccccn1 ZINC000734363541 572649102 /nfs/dbraw/zinc/64/91/02/572649102.db2.gz LMSQVLSDRTXUSM-HNNXBMFYSA-N 1 1 294.402 3.392 20 30 CGEDMO CC1(C)CC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000743391838 572656766 /nfs/dbraw/zinc/65/67/66/572656766.db2.gz ZCXNFYQTCVUGGL-UHFFFAOYSA-N 1 1 280.375 3.111 20 30 CGEDMO CCCC[N@@H+](C)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000744129281 572710897 /nfs/dbraw/zinc/71/08/97/572710897.db2.gz LEYPAVJBJBSKIG-UHFFFAOYSA-N 1 1 268.364 3.111 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1ccc2c(c1)OCCO2 ZINC000735492573 572726358 /nfs/dbraw/zinc/72/63/58/572726358.db2.gz KBQAOUXOHFBXIN-UHFFFAOYSA-N 1 1 261.365 3.246 20 30 CGEDMO CN1c2ccccc2C(C)(C)/C1=C\C(=O)C[N@@H+](C)C1CCC1 ZINC000744409609 572750559 /nfs/dbraw/zinc/75/05/59/572750559.db2.gz ADQMDFPFWCAAPT-LDADJPATSA-N 1 1 298.430 3.351 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)NC1CCCCCCC1 ZINC000736623964 572803070 /nfs/dbraw/zinc/80/30/70/572803070.db2.gz WBLKNEJAYPQJGX-UHFFFAOYSA-N 1 1 266.429 3.114 20 30 CGEDMO C#CC[N@H+](CC)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000746458019 572872823 /nfs/dbraw/zinc/87/28/23/572872823.db2.gz ZNULTYCQWSODOB-UHFFFAOYSA-N 1 1 289.382 3.456 20 30 CGEDMO COCCO[NH+]=C(C)c1ccc(N2CCCCC2)c(F)c1 ZINC000748788361 572984173 /nfs/dbraw/zinc/98/41/73/572984173.db2.gz DUMWFPDPBFOKPR-UHFFFAOYSA-N 1 1 294.370 3.203 20 30 CGEDMO C[C@@]12CC[N@@H+](CCCSCC#N)C[C@@H]1C2(Cl)Cl ZINC000792908961 629393282 /nfs/dbraw/zinc/39/32/82/629393282.db2.gz NRJDLPNBDHKFNN-WDEREUQCSA-N 1 1 293.263 3.149 20 30 CGEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCCC)[C@@H](C)C2)cc1 ZINC000947611013 613190747 /nfs/dbraw/zinc/19/07/47/613190747.db2.gz FBBFOXZGBGXXPM-YJBOKZPZSA-N 1 1 298.430 3.051 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC2(CN(C(=O)CC(C)(C)C)C2)C1 ZINC000981624552 613250536 /nfs/dbraw/zinc/25/05/36/613250536.db2.gz YGCDOBLMXMUAMG-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)[C@@H]2CCCC23CC3)CC1 ZINC000981443007 613252928 /nfs/dbraw/zinc/25/29/28/613252928.db2.gz XAVWMKJPWJNGMF-INIZCTEOSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)c2cscc2C)CC1 ZINC000980928121 613255931 /nfs/dbraw/zinc/25/59/31/613255931.db2.gz HYNOLBRRWNYSHU-UHFFFAOYSA-N 1 1 292.448 3.171 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)C)C1 ZINC000963258502 613257231 /nfs/dbraw/zinc/25/72/31/613257231.db2.gz HIHPDSMYJRZCEH-IRXDYDNUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)C2CC2)[C@@H](C)C1 ZINC000942570201 613265173 /nfs/dbraw/zinc/26/51/73/613265173.db2.gz VGSJEVNMWZUZOY-GOEBONIOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C(C)=C2CCC2)[C@H](C)C1 ZINC000942041111 613265344 /nfs/dbraw/zinc/26/53/44/613265344.db2.gz KUIVXEHGGAEPFX-RHSMWYFYSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CC2CCCC2)[C@@H](C)C1 ZINC000941766806 613265948 /nfs/dbraw/zinc/26/59/48/613265948.db2.gz AFMUFPLOGLXJQA-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2CC(C)(C)C2)[C@H](C)C1 ZINC000942019442 613266017 /nfs/dbraw/zinc/26/60/17/613266017.db2.gz CTOAJEZFDWJWGH-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC000968274431 613269045 /nfs/dbraw/zinc/26/90/45/613269045.db2.gz LSMHQNNTUFAJAI-JKSUJKDBSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccccc2)C1 ZINC000964742763 613269312 /nfs/dbraw/zinc/26/93/12/613269312.db2.gz JVOWVXTUNCNDGV-RDJZCZTQSA-N 1 1 286.419 3.093 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)C(C)(C)C)C(C)(C)C1 ZINC000941177853 613270526 /nfs/dbraw/zinc/27/05/26/613270526.db2.gz PNVRWMZVFHQAKS-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cocc2C)C[C@H]1C ZINC000947624019 613273167 /nfs/dbraw/zinc/27/31/67/613273167.db2.gz GCJIEPLVFKLHTJ-CABCVRRESA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2c(C)cccc2C)C1 ZINC000972410010 613285647 /nfs/dbraw/zinc/28/56/47/613285647.db2.gz PDSDIJZRQLRFMT-MRXNPFEDSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)c2coc(C)c2)CC1 ZINC000948329287 613314034 /nfs/dbraw/zinc/31/40/34/613314034.db2.gz CASLDBGVIFWQBM-MRXNPFEDSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)c2ccccc2)CC1 ZINC000948148710 613315133 /nfs/dbraw/zinc/31/51/33/613315133.db2.gz FLPWXIZZTFRXCD-KRWDZBQOSA-N 1 1 286.419 3.189 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)CC2=CCCCC2)[C@@H](C)C1 ZINC000941897719 613327300 /nfs/dbraw/zinc/32/73/00/613327300.db2.gz YIYGLSSTFSDDIK-DOTOQJQBSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)=C2CCCC2)C1 ZINC000965885154 613332081 /nfs/dbraw/zinc/33/20/81/613332081.db2.gz CRTMELKDFWCZOB-YOEHRIQHSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)CC2=CCCCC2)C1 ZINC000965621894 613333817 /nfs/dbraw/zinc/33/38/17/613333817.db2.gz HVRWSRNVGGBXAH-DOTOQJQBSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2(C3CC3)CCC2)C[C@H]1C ZINC000947572229 613334737 /nfs/dbraw/zinc/33/47/37/613334737.db2.gz LYOYOSDKCAGLGQ-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2CCC(=C)CC2)C[C@H]1C ZINC000947686007 613334897 /nfs/dbraw/zinc/33/48/97/613334897.db2.gz RRMHDDBYKKWWMO-WBVHZDCISA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C(C)=C2CCCC2)C(C)(C)C1 ZINC000973021683 613337619 /nfs/dbraw/zinc/33/76/19/613337619.db2.gz DOFACFLXORZHIS-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C2CCCC2)C(C)(C)C1 ZINC000977449363 613337869 /nfs/dbraw/zinc/33/78/69/613337869.db2.gz JGSCGORYCKQJGZ-GOEBONIOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CC2(C1)CCC[N@H+](CCC)C2 ZINC000981793299 613367700 /nfs/dbraw/zinc/36/77/00/613367700.db2.gz TYBJCTHIWVGBBA-UHFFFAOYSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)C(C)(CC)CC)C1 ZINC000980440687 613369654 /nfs/dbraw/zinc/36/96/54/613369654.db2.gz RXTUFCYONDZMFA-ZDUSSCGKSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)C(C)(CC)CC)C1 ZINC000980440687 613369655 /nfs/dbraw/zinc/36/96/55/613369655.db2.gz RXTUFCYONDZMFA-ZDUSSCGKSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[N@H+](CC(CC)CC)CC2)C1 ZINC000981909925 613393453 /nfs/dbraw/zinc/39/34/53/613393453.db2.gz UTRPVGGWAQSHTI-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@H]([C@@H]3CCC[N@@H+]3CC)C2)C1 ZINC000963361767 613393528 /nfs/dbraw/zinc/39/35/28/613393528.db2.gz UODRHIXAWMZDQR-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C1CCC(C(=O)NC[C@H]2CCCCC[N@@H+]2CC)CC1 ZINC000969013783 613408254 /nfs/dbraw/zinc/40/82/54/613408254.db2.gz GPMBCBZZLWUHIH-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@H]([C@H]2CC[N@H+](CCC)C2)C1 ZINC000961229425 613432801 /nfs/dbraw/zinc/43/28/01/613432801.db2.gz MIUJXCPJXYRTET-HOTGVXAUSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)C2CCC(C)(C)CC2)C1 ZINC000957436255 613476745 /nfs/dbraw/zinc/47/67/45/613476745.db2.gz RMSWFLJXWRUCTR-UHFFFAOYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@@]2(CC)C(C)C)C1 ZINC000957066989 613477915 /nfs/dbraw/zinc/47/79/15/613477915.db2.gz ITKQTZVHWGRMOZ-WMZOPIPTSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)c1ccsc1 ZINC000968744504 613491668 /nfs/dbraw/zinc/49/16/68/613491668.db2.gz JCKPBOZPILMCQY-HNNXBMFYSA-N 1 1 292.448 3.299 20 30 CGEDMO C=CCC[N@H+]1CCCN(C(=O)C2(C3CCC3)CCC2)CC1 ZINC000981701774 613491991 /nfs/dbraw/zinc/49/19/91/613491991.db2.gz ONGCYVCFDFWLDR-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[C@H]2C[N@@H+](C(C)C)C[C@H]2CC1 ZINC000946762471 613504298 /nfs/dbraw/zinc/50/42/98/613504298.db2.gz XSTRPUODVVKZEW-SOLBZPMBSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)CC2=CCCCC2)C1 ZINC000965625568 613517260 /nfs/dbraw/zinc/51/72/60/613517260.db2.gz OEXSZUUKZZUASB-NVXWUHKLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C(C)=C2CCC2)C[C@@H]1C ZINC000947301591 613518625 /nfs/dbraw/zinc/51/86/25/613518625.db2.gz WHQZAFCWVQFMBJ-XJKSGUPXSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)C(C)=C2CCCC2)[C@H](C)C1 ZINC000941944151 613518878 /nfs/dbraw/zinc/51/88/78/613518878.db2.gz SEGIAOKBGGSMRK-RHSMWYFYSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC=CCC2)C(C)(C)C1 ZINC000940559976 613522774 /nfs/dbraw/zinc/52/27/74/613522774.db2.gz KIIBSDOZZMQVFC-JKSUJKDBSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)o2)C[C@@H]1C ZINC000947060286 613538160 /nfs/dbraw/zinc/53/81/60/613538160.db2.gz AUNOKZVXIZOGPL-RYUDHWBXSA-N 1 1 296.798 3.092 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)c2ccccc2C)[C@@H](C)C1 ZINC000941767547 613539150 /nfs/dbraw/zinc/53/91/50/613539150.db2.gz GVJYHBFVUIXOTL-RDJZCZTQSA-N 1 1 286.419 3.011 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2csc(C)c2)C[C@@H]1C ZINC000947811172 613541704 /nfs/dbraw/zinc/54/17/04/613541704.db2.gz XADVNKYMVYWKNJ-WFASDCNBSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2sccc2C)C[C@H]1C ZINC000946997282 613542723 /nfs/dbraw/zinc/54/27/23/613542723.db2.gz UMDOEZWLDWFJMD-KGLIPLIRSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2C=CCCC2)C(C)(C)C1 ZINC000974742489 613544148 /nfs/dbraw/zinc/54/41/48/613544148.db2.gz PRZKGTUIUJDGOT-HZPDHXFCSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2ccccc2C)C(C)(C)C1 ZINC000972774443 613555442 /nfs/dbraw/zinc/55/54/42/613555442.db2.gz OUSUWSUSUNKZRB-INIZCTEOSA-N 1 1 286.419 3.011 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2ccsc2C)C(C)(C)C1 ZINC000974576771 613556179 /nfs/dbraw/zinc/55/61/79/613556179.db2.gz UCZMNDGSHOOHJB-AWEZNQCLSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C(C)C)CC[C@@H]2C1 ZINC000946806729 613558596 /nfs/dbraw/zinc/55/85/96/613558596.db2.gz ZIZFADBYBLWZEK-YESZJQIVSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)c2cc(C(C)C)oc2C)C1 ZINC000972650539 613619017 /nfs/dbraw/zinc/61/90/17/613619017.db2.gz KJPMWLKXKBUFGL-CQSZACIVSA-N 1 1 290.407 3.044 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)c2cccc3ccccc32)C1 ZINC000980312824 613622360 /nfs/dbraw/zinc/62/23/60/613622360.db2.gz OFWPFZHCXRAKLS-MRXNPFEDSA-N 1 1 294.398 3.172 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)C=C)C1 ZINC000963351101 613702960 /nfs/dbraw/zinc/70/29/60/613702960.db2.gz GDKNLKFKZQJFTI-HZPDHXFCSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2occc2C(C)C)C1 ZINC000967994361 613737228 /nfs/dbraw/zinc/73/72/28/613737228.db2.gz MYADPXAHWFVMJD-UKRRQHHQSA-N 1 1 290.407 3.029 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)c2coc3ccccc23)[C@@H](C)C1 ZINC000945942700 613759311 /nfs/dbraw/zinc/75/93/11/613759311.db2.gz KIUOYXVVVZSCFI-XJKSGUPXSA-N 1 1 298.386 3.059 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC000961109912 613766646 /nfs/dbraw/zinc/76/66/46/613766646.db2.gz IDKBKPFGSYRAGD-ZWKOTPCHSA-N 1 1 298.430 3.047 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)CC2CCCCC2)C[C@@H]1C ZINC000947027807 613781078 /nfs/dbraw/zinc/78/10/78/613781078.db2.gz VAYRZQQKHNZCBN-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C(C)(C)CC)C2)C1 ZINC000961242820 613805010 /nfs/dbraw/zinc/80/50/10/613805010.db2.gz WHOBMBKAHWVIQX-HOTGVXAUSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccc(C)cc3)C[C@H]2C1 ZINC000980215490 613820970 /nfs/dbraw/zinc/82/09/70/613820970.db2.gz LKRPNIKPRJGKSL-BZSNNMDCSA-N 1 1 298.430 3.011 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)c2ccc(C3CC3)cc2)C(C)(C)C1 ZINC000977601526 613828816 /nfs/dbraw/zinc/82/88/16/613828816.db2.gz GVZRTJITSCMFHM-KRWDZBQOSA-N 1 1 298.430 3.190 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(Cc2cccc(F)c2)no1 ZINC000900012674 620743898 /nfs/dbraw/zinc/74/38/98/620743898.db2.gz XIHHDJUXYCECKT-ZDUSSCGKSA-N 1 1 275.327 3.156 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2ccnc(Cl)c2F)C1 ZINC000843423519 617840181 /nfs/dbraw/zinc/84/01/81/617840181.db2.gz OAXQNCIOXSQZER-NSHDSACASA-N 1 1 266.747 3.109 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccnc(Cl)c2F)C1 ZINC000843423519 617840185 /nfs/dbraw/zinc/84/01/85/617840185.db2.gz OAXQNCIOXSQZER-NSHDSACASA-N 1 1 266.747 3.109 20 30 CGEDMO C#CC[C@@H](Cc1ccccc1)Nc1nc(C)[nH+]c(C)c1C ZINC000804808449 617849792 /nfs/dbraw/zinc/84/97/92/617849792.db2.gz UHVCAOOUTCQDKM-KRWDZBQOSA-N 1 1 279.387 3.448 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CCCC2)C1 ZINC001021492224 618012738 /nfs/dbraw/zinc/01/27/38/618012738.db2.gz HPZWGWUVDYDOJF-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC2CCC2)C1 ZINC001021556042 618040751 /nfs/dbraw/zinc/04/07/51/618040751.db2.gz QFTQFJVSCUSXGY-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+](Cc1cn(C)nc1C1CCCC1)C(C)C ZINC000891675358 618245420 /nfs/dbraw/zinc/24/54/20/618245420.db2.gz SYUGTJDTKCBHBU-UHFFFAOYSA-N 1 1 261.413 3.474 20 30 CGEDMO CO[C@H](C[N@@H+](C)Cc1cc(C#N)cs1)c1ccccc1 ZINC000933772326 618325442 /nfs/dbraw/zinc/32/54/42/618325442.db2.gz ORWBONLXCJKIJB-MRXNPFEDSA-N 1 1 286.400 3.439 20 30 CGEDMO CCC(=NNc1cc[nH+]cc1)c1ccc(Cl)cc1 ZINC000779809516 618384652 /nfs/dbraw/zinc/38/46/52/618384652.db2.gz YSWDOSAFCKHMOP-UHFFFAOYSA-N 1 1 259.740 3.383 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C=C2CCCCC2)C1 ZINC001006865497 618432271 /nfs/dbraw/zinc/43/22/71/618432271.db2.gz SKGJZYSNLBTAKK-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C[C@H](C#N)C[N@H+](Cc1ccc2c(c1)CCCO2)C1CC1 ZINC000892195361 618585455 /nfs/dbraw/zinc/58/54/55/618585455.db2.gz PGFXNHUHSJGJDB-CYBMUJFWSA-N 1 1 270.376 3.136 20 30 CGEDMO C[C@H](C#N)C[N@@H+](Cc1ccc2c(c1)CCCO2)C1CC1 ZINC000892195361 618585462 /nfs/dbraw/zinc/58/54/62/618585462.db2.gz PGFXNHUHSJGJDB-CYBMUJFWSA-N 1 1 270.376 3.136 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1CCC(=O)Nc1ccccc1OCC ZINC000934462672 618624446 /nfs/dbraw/zinc/62/44/46/618624446.db2.gz ZXZKOKVTKAMJTG-AWEZNQCLSA-N 1 1 288.391 3.064 20 30 CGEDMO Cc1[nH+]c(C=NNCCC(C)(C)C)c2ccccn12 ZINC000782907697 618880703 /nfs/dbraw/zinc/88/07/03/618880703.db2.gz NNWMESBUNDZQKL-UHFFFAOYSA-N 1 1 258.369 3.002 20 30 CGEDMO C=CC[N@@H+](CCOC(F)F)Cc1ccccc1F ZINC000851734872 618921553 /nfs/dbraw/zinc/92/15/53/618921553.db2.gz YTLYVCBREMKYIZ-UHFFFAOYSA-N 1 1 259.271 3.053 20 30 CGEDMO C=CC[N@H+](CCOC(F)F)Cc1ccccc1F ZINC000851734872 618921556 /nfs/dbraw/zinc/92/15/56/618921556.db2.gz YTLYVCBREMKYIZ-UHFFFAOYSA-N 1 1 259.271 3.053 20 30 CGEDMO C[C@]12CC[N@@H+](CC3CCC(C#N)CC3)C[C@H]1C2(F)F ZINC000930540406 619012789 /nfs/dbraw/zinc/01/27/89/619012789.db2.gz QSWORFRPRMEPJS-PQAZSJQKSA-N 1 1 268.351 3.293 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CCO)CC2)c1 ZINC000930755124 619073985 /nfs/dbraw/zinc/07/39/85/619073985.db2.gz WXMCURCVTGZHKF-ZDUSSCGKSA-N 1 1 292.810 3.196 20 30 CGEDMO C[N@H+](C[C@@H]1CCC[C@H](C(F)(F)F)O1)[C@H]1CCC[C@@H]1C#N ZINC000931473553 619178343 /nfs/dbraw/zinc/17/83/43/619178343.db2.gz ABKKUIKGAORCPH-MROQNXINSA-N 1 1 290.329 3.110 20 30 CGEDMO C[N@@H+](C[C@@H]1CCC[C@H](C(F)(F)F)O1)[C@H]1CCC[C@@H]1C#N ZINC000931473553 619178344 /nfs/dbraw/zinc/17/83/44/619178344.db2.gz ABKKUIKGAORCPH-MROQNXINSA-N 1 1 290.329 3.110 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@]2(C)CCC(C)=C(C)C2)C1 ZINC001009689884 619188935 /nfs/dbraw/zinc/18/89/35/619188935.db2.gz INUJKOOQCRMQFG-WMZOPIPTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000075866399 619223799 /nfs/dbraw/zinc/22/37/99/619223799.db2.gz ZFTJZWKZUBLKPM-OAHLLOKOSA-N 1 1 265.784 3.278 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2nccn2C2CC2)cc1Cl ZINC000894271909 619458588 /nfs/dbraw/zinc/45/85/88/619458588.db2.gz VZSAGMOFFUTWQJ-UHFFFAOYSA-N 1 1 286.766 3.033 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cn(CC)nc1-c1ccccc1 ZINC000894547577 619573472 /nfs/dbraw/zinc/57/34/72/619573472.db2.gz FYUZFAYCKATZRA-UHFFFAOYSA-N 1 1 299.418 3.204 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cs1 ZINC000894553625 619574631 /nfs/dbraw/zinc/57/46/31/619574631.db2.gz RSOTXQDMZYSCBC-CABCVRRESA-N 1 1 288.416 3.153 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cs1 ZINC000894553625 619574635 /nfs/dbraw/zinc/57/46/35/619574635.db2.gz RSOTXQDMZYSCBC-CABCVRRESA-N 1 1 288.416 3.153 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2F)C1 ZINC000895078443 619716088 /nfs/dbraw/zinc/71/60/88/619716088.db2.gz QDGXNXIOMVITDK-CYBMUJFWSA-N 1 1 291.366 3.078 20 30 CGEDMO NC(=[NH+]OCc1noc2c1CCCC2)C1CCCCCC1 ZINC000179004068 619734683 /nfs/dbraw/zinc/73/46/83/619734683.db2.gz YGAWZUZTDCWVRU-UHFFFAOYSA-N 1 1 291.395 3.313 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)OCCCCC1(C#N)CCC1 ZINC000909501515 619770298 /nfs/dbraw/zinc/77/02/98/619770298.db2.gz HJNHMHZRXKXEMY-HNNXBMFYSA-N 1 1 292.423 3.267 20 30 CGEDMO C[C@]1(Br)C[C@H]1C[N@@H+]1Cc2ccc(C#N)cc2C1 ZINC000895215454 619783166 /nfs/dbraw/zinc/78/31/66/619783166.db2.gz OSZAIUUVNSOOHO-KBPBESRZSA-N 1 1 291.192 3.047 20 30 CGEDMO C[C@]1(Br)C[C@H]1C[N@H+]1Cc2ccc(C#N)cc2C1 ZINC000895215454 619783169 /nfs/dbraw/zinc/78/31/69/619783169.db2.gz OSZAIUUVNSOOHO-KBPBESRZSA-N 1 1 291.192 3.047 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2c(C)nn(C(C)C)c2C)C1 ZINC000895558365 619849764 /nfs/dbraw/zinc/84/97/64/619849764.db2.gz INZDYQHRDHIKEN-OAHLLOKOSA-N 1 1 261.413 3.479 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000895561277 619850158 /nfs/dbraw/zinc/85/01/58/619850158.db2.gz ZATQKYUIWUWPSR-KFWWJZLASA-N 1 1 294.439 3.188 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CC[C@@H](c3nccs3)C2)cc1 ZINC000895584064 619854623 /nfs/dbraw/zinc/85/46/23/619854623.db2.gz OZNMVDYWLDGNGG-OAHLLOKOSA-N 1 1 298.411 3.145 20 30 CGEDMO C#CC1([NH2+]Cc2ncc(CSC)s2)CCCC1 ZINC000883362108 619965939 /nfs/dbraw/zinc/96/59/39/619965939.db2.gz UKOXTYYOWNITLY-UHFFFAOYSA-N 1 1 266.435 3.042 20 30 CGEDMO CC(C)(/C=C/Cl)[NH2+]Cc1cccc(F)c1C#N ZINC000896747427 620055520 /nfs/dbraw/zinc/05/55/20/620055520.db2.gz LOZMRWYMBNLHHK-VOTSOKGWSA-N 1 1 252.720 3.318 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000796606210 620115434 /nfs/dbraw/zinc/11/54/34/620115434.db2.gz DJVTZUJJZFNTKZ-CVEARBPZSA-N 1 1 269.429 3.227 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCOc1ccc(Cl)cc1 ZINC000302810914 620182515 /nfs/dbraw/zinc/18/25/15/620182515.db2.gz KLMHPMIKRDUMGN-UHFFFAOYSA-N 1 1 260.164 3.403 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000302810914 620182518 /nfs/dbraw/zinc/18/25/18/620182518.db2.gz KLMHPMIKRDUMGN-UHFFFAOYSA-N 1 1 260.164 3.403 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC([N@@H+](C)CC2CCC2)CC1 ZINC000985620665 620222209 /nfs/dbraw/zinc/22/22/09/620222209.db2.gz AEMZVBSJYCFJGV-SFHVURJKSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2CCC[C@@H](C)C2)CC1 ZINC000985616765 620222390 /nfs/dbraw/zinc/22/23/90/620222390.db2.gz ZWGSKGMLEBINBN-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)c2occc2Cl)CC1 ZINC000985639669 620224413 /nfs/dbraw/zinc/22/44/13/620224413.db2.gz VLRBBLAJWULJPU-UHFFFAOYSA-N 1 1 296.798 3.046 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)c2coc3ccccc32)CC1 ZINC000985817324 620242365 /nfs/dbraw/zinc/24/23/65/620242365.db2.gz CVPWOZXRGZRYRE-UHFFFAOYSA-N 1 1 298.386 3.155 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1c(C)nc2sc(C)nn12 ZINC000898245606 620496700 /nfs/dbraw/zinc/49/67/00/620496700.db2.gz DDCHSIHJBKRLAD-UHFFFAOYSA-N 1 1 278.425 3.196 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)C2CC(C(C)(C)C)C2)CC1 ZINC000989772703 620524486 /nfs/dbraw/zinc/52/44/86/620524486.db2.gz HUKBSMCOSARXCZ-UHFFFAOYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)C3CCCC3)CCC[C@H]12 ZINC000989897474 620529757 /nfs/dbraw/zinc/52/97/57/620529757.db2.gz UKVDXIKJIGUDSX-FUHWJXTLSA-N 1 1 290.451 3.256 20 30 CGEDMO CC#CC[N@H+](Cc1ccccc1)C[C@H](O)c1cccs1 ZINC000088605056 620532883 /nfs/dbraw/zinc/53/28/83/620532883.db2.gz CQLMABTYGIFYBM-INIZCTEOSA-N 1 1 285.412 3.307 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)C3CCCCCC3)CCC[C@H]12 ZINC000990030861 620534919 /nfs/dbraw/zinc/53/49/19/620534919.db2.gz MIPYFEYVMMKFPE-WMZOPIPTSA-N 1 1 290.451 3.256 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)C(C)=C3CCC3)CCC[C@H]12 ZINC000990608882 620557094 /nfs/dbraw/zinc/55/70/94/620557094.db2.gz AHDXAAOMURRSTI-WMZOPIPTSA-N 1 1 288.435 3.176 20 30 CGEDMO CCN(C)c1ccc(C=[NH+]NC2CCC(F)(F)CC2)cn1 ZINC000901341868 620857921 /nfs/dbraw/zinc/85/79/21/620857921.db2.gz QUADNQHMVIJJHJ-UHFFFAOYSA-N 1 1 296.365 3.039 20 30 CGEDMO Cc1cc(C#N)cc(C)c1Cn1cc[nH+]c1C1CC1 ZINC000902613631 621385556 /nfs/dbraw/zinc/38/55/56/621385556.db2.gz OSQIYZYJCXFJCM-UHFFFAOYSA-N 1 1 251.333 3.297 20 30 CGEDMO CC[C@H](N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(C#N)c1 ZINC000902747946 621424297 /nfs/dbraw/zinc/42/42/97/621424297.db2.gz JHMTUXRVZYAIEE-OKZBNKHCSA-N 1 1 283.419 3.226 20 30 CGEDMO CC[C@H]([NH2+][C@H]1CCN2CCCC[C@H]12)c1cccc(C#N)c1 ZINC000902747946 621424299 /nfs/dbraw/zinc/42/42/99/621424299.db2.gz JHMTUXRVZYAIEE-OKZBNKHCSA-N 1 1 283.419 3.226 20 30 CGEDMO CC[C@H](NC[C@@H](C)C[NH+]1CCCC1)c1cccc(C#N)c1 ZINC000902754845 621425927 /nfs/dbraw/zinc/42/59/27/621425927.db2.gz HLRUGDYNRMTTJK-QAPCUYQASA-N 1 1 285.435 3.331 20 30 CGEDMO CC[C@@H](N[C@@H](C)C[N@H+](C)C(C)C)c1cccc(C#N)c1 ZINC000902992021 621513423 /nfs/dbraw/zinc/51/34/23/621513423.db2.gz FMVYWQGJKQKVQD-WMLDXEAASA-N 1 1 273.424 3.328 20 30 CGEDMO CC[C@@H](N[C@@H](C)C[N@@H+](C)C(C)C)c1cccc(C#N)c1 ZINC000902992021 621513426 /nfs/dbraw/zinc/51/34/26/621513426.db2.gz FMVYWQGJKQKVQD-WMLDXEAASA-N 1 1 273.424 3.328 20 30 CGEDMO Cc1c(C[NH2+][C@@H](C)c2cc(C#N)ccn2)cccc1[N+](=O)[O-] ZINC000902971703 621517965 /nfs/dbraw/zinc/51/79/65/621517965.db2.gz ZPTYBXVNWTZFGW-LBPRGKRZSA-N 1 1 296.330 3.021 20 30 CGEDMO CC[C@@H]([NH2+][C@@H](C)c1ccn(C)n1)c1cccc(C#N)c1 ZINC000903017839 621520944 /nfs/dbraw/zinc/52/09/44/621520944.db2.gz SSOLYGQLIKLGSU-SWLSCSKDSA-N 1 1 268.364 3.094 20 30 CGEDMO CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1cccc(C#N)c1 ZINC000903011162 621532508 /nfs/dbraw/zinc/53/25/08/621532508.db2.gz WCDVXPBEFBMRJR-HQSKLWIPSA-N 1 1 283.419 3.224 20 30 CGEDMO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(C#N)c1 ZINC000903011162 621532511 /nfs/dbraw/zinc/53/25/11/621532511.db2.gz WCDVXPBEFBMRJR-HQSKLWIPSA-N 1 1 283.419 3.224 20 30 CGEDMO CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C#N)c1 ZINC000903011162 621532516 /nfs/dbraw/zinc/53/25/16/621532516.db2.gz WCDVXPBEFBMRJR-HQSKLWIPSA-N 1 1 283.419 3.224 20 30 CGEDMO COc1cccc2c1OCCC[C@H]2[NH2+]CC(C)(C)C#N ZINC000903101676 621574167 /nfs/dbraw/zinc/57/41/67/621574167.db2.gz KSCIBCJKTZQXDU-CYBMUJFWSA-N 1 1 274.364 3.048 20 30 CGEDMO CCCOc1ccc([C@@H](C)[NH2+]CC2(C#N)CC2)cc1 ZINC000903101822 621574217 /nfs/dbraw/zinc/57/42/17/621574217.db2.gz NHSOAVLKOUPOQQ-CYBMUJFWSA-N 1 1 258.365 3.430 20 30 CGEDMO N#CC1(C[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000903105834 621578304 /nfs/dbraw/zinc/57/83/04/621578304.db2.gz HZUCIIQRDKDUIX-ZDUSSCGKSA-N 1 1 296.292 3.466 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccc(F)c(OC)c2)no1 ZINC000904548519 621933909 /nfs/dbraw/zinc/93/39/09/621933909.db2.gz MACINUPYSZBREU-LBPRGKRZSA-N 1 1 291.326 3.240 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccc(O)c(C)c2)no1 ZINC000904688528 621953829 /nfs/dbraw/zinc/95/38/29/621953829.db2.gz CCNHNUHWCUIBLJ-LBPRGKRZSA-N 1 1 273.336 3.107 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(C2(COC)CCCCC2)no1 ZINC000904721287 621956932 /nfs/dbraw/zinc/95/69/32/621956932.db2.gz LJIFLBCQJSTQJI-ZDUSSCGKSA-N 1 1 293.411 3.274 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000769960879 625580196 /nfs/dbraw/zinc/58/01/96/625580196.db2.gz BMYQDCYBZDKJTA-NSHDSACASA-N 1 1 274.751 3.449 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000769960879 625580201 /nfs/dbraw/zinc/58/02/01/625580201.db2.gz BMYQDCYBZDKJTA-NSHDSACASA-N 1 1 274.751 3.449 20 30 CGEDMO CCC(CC)[C@H](C[NH2+]Cc1csc(C#N)c1)N(C)C ZINC000921523498 625630835 /nfs/dbraw/zinc/63/08/35/625630835.db2.gz YLSSQRUPNAPCGC-HNNXBMFYSA-N 1 1 279.453 3.076 20 30 CGEDMO CCCCCCC[N@@H+](C)Cc1ccc(C(=O)NC)cc1 ZINC000172648203 623266351 /nfs/dbraw/zinc/26/63/51/623266351.db2.gz QXWUSXQBUUFYTK-UHFFFAOYSA-N 1 1 276.424 3.448 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)C[C@H]3CC=CCC3)CCC[C@H]12 ZINC000992121294 623440219 /nfs/dbraw/zinc/44/02/19/623440219.db2.gz TVMGXVFJMRTZPH-XYJFISCASA-N 1 1 288.435 3.032 20 30 CGEDMO CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1cncc(C#N)c1 ZINC000929650917 623496393 /nfs/dbraw/zinc/49/63/93/623496393.db2.gz QTFQMHIMNPZALN-GOSISDBHSA-N 1 1 277.371 3.463 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)[C@H](C)c3ccccc3)CCC[C@H]12 ZINC000992438947 623563062 /nfs/dbraw/zinc/56/30/62/623563062.db2.gz MQVLUYWMXZJLSQ-AYBZRNKSSA-N 1 1 298.430 3.089 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3cccc(C)c3C)CCC[C@H]12 ZINC000992468734 623580611 /nfs/dbraw/zinc/58/06/11/623580611.db2.gz QQMYHERQGAWKLW-PKOBYXMFSA-N 1 1 298.430 3.216 20 30 CGEDMO CCC(CC)C[N@H+](CCC#N)Cc1ccnc(N(C)C)c1 ZINC000754050720 623785142 /nfs/dbraw/zinc/78/51/42/623785142.db2.gz RASCWESFJWBSLM-UHFFFAOYSA-N 1 1 288.439 3.299 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)Cc1ccnc(N(C)C)c1 ZINC000754050720 623785157 /nfs/dbraw/zinc/78/51/57/623785157.db2.gz RASCWESFJWBSLM-UHFFFAOYSA-N 1 1 288.439 3.299 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2ccsc2)[C@H]1C ZINC000993051259 623806814 /nfs/dbraw/zinc/80/68/14/623806814.db2.gz HLUWBPVBXDXFGN-HIFRSBDPSA-N 1 1 292.448 3.297 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CC2=CCCCC2)[C@@H]1C ZINC000993151438 623877514 /nfs/dbraw/zinc/87/75/14/623877514.db2.gz GEECRSXWLSVXPC-RDJZCZTQSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CC2=CCCCC2)[C@H]1C ZINC000993151432 623877524 /nfs/dbraw/zinc/87/75/24/623877524.db2.gz GEECRSXWLSVXPC-NVXWUHKLSA-N 1 1 290.451 3.422 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1cn2ccsc2n1 ZINC000921599450 625693458 /nfs/dbraw/zinc/69/34/58/625693458.db2.gz IYXAGWPDBQJGNS-UHFFFAOYSA-N 1 1 296.399 3.174 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C2CCC2)[C@H]1C ZINC000993619687 624055406 /nfs/dbraw/zinc/05/54/06/624055406.db2.gz BUXCYLKFMDMAHD-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)CC2CC(C)(C)C2)[C@@H]1C ZINC000993747597 624060189 /nfs/dbraw/zinc/06/01/89/624060189.db2.gz RQWNRKJOEWPYAO-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2occc2CC)[C@H]1C ZINC000993784106 624064264 /nfs/dbraw/zinc/06/42/64/624064264.db2.gz BTBNTBBWSAYVGZ-HIFRSBDPSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2csc(Cl)c2)[C@@H]1C ZINC000993937129 624065953 /nfs/dbraw/zinc/06/59/53/624065953.db2.gz GUMPEBHSTWDSRG-CMPLNLGQSA-N 1 1 298.839 3.170 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(Oc2ccc(OC)cc2)CC1 ZINC000917064155 624232120 /nfs/dbraw/zinc/23/21/20/624232120.db2.gz VUJLEKPZGNCZNM-UHFFFAOYSA-N 1 1 281.783 3.291 20 30 CGEDMO C=CC[N@@H+](C[C@@H](O)COCc1ccc(Cl)cc1)C(C)C ZINC000917069305 624233332 /nfs/dbraw/zinc/23/33/32/624233332.db2.gz NGXAGWHCRRPWJU-MRXNPFEDSA-N 1 1 297.826 3.114 20 30 CGEDMO C=CC[N@@H+](CC(=O)N(Cc1ccccc1)C1CC1)C(C)C ZINC000917069859 624234012 /nfs/dbraw/zinc/23/40/12/624234012.db2.gz YKVRNQXRFYRWFM-UHFFFAOYSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(F)s2)[C@@H]1C ZINC000994510611 624247644 /nfs/dbraw/zinc/24/76/44/624247644.db2.gz RWMFPSZEYPVXOA-RYUDHWBXSA-N 1 1 296.411 3.046 20 30 CGEDMO C=CCN(C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)C(C)C ZINC000918067976 624331684 /nfs/dbraw/zinc/33/16/84/624331684.db2.gz ZOMWDQXOVHKXBB-INIZCTEOSA-N 1 1 295.471 3.247 20 30 CGEDMO C=CC[N@H+](C)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000155056220 624417400 /nfs/dbraw/zinc/41/74/00/624417400.db2.gz UKSNKVSZYBYBNB-UHFFFAOYSA-N 1 1 263.381 3.316 20 30 CGEDMO Fc1cccc(N[NH+]=Cc2ccc(N3CCOCC3)cc2)c1 ZINC000920384574 624487716 /nfs/dbraw/zinc/48/77/16/624487716.db2.gz XTLXOJPYGHMKBH-UHFFFAOYSA-N 1 1 299.349 3.108 20 30 CGEDMO C#CCC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)C1CC1 ZINC000920415748 624491246 /nfs/dbraw/zinc/49/12/46/624491246.db2.gz ILLJYQRQKXLXKR-AWEZNQCLSA-N 1 1 257.377 3.319 20 30 CGEDMO C#CCCCCC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000180125073 624718283 /nfs/dbraw/zinc/71/82/83/624718283.db2.gz QBOWCKUSMJSOHH-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2CC)CC1 ZINC000998122066 625790543 /nfs/dbraw/zinc/79/05/43/625790543.db2.gz UIRMWOMEVXFSMT-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C[C@@H](CNCc1csc(C#N)c1)[N@H+](C)Cc1ccccc1 ZINC000921725053 625855479 /nfs/dbraw/zinc/85/54/79/625855479.db2.gz XCHDMIOFZYCEPJ-AWEZNQCLSA-N 1 1 299.443 3.230 20 30 CGEDMO C[C@@H](CNCc1csc(C#N)c1)[N@@H+](C)Cc1ccccc1 ZINC000921725053 625855483 /nfs/dbraw/zinc/85/54/83/625855483.db2.gz XCHDMIOFZYCEPJ-AWEZNQCLSA-N 1 1 299.443 3.230 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[C@H](C)C2)CC1 ZINC001001111556 625891000 /nfs/dbraw/zinc/89/10/00/625891000.db2.gz RQYHRAXEGKUTPQ-RDJZCZTQSA-N 1 1 290.451 3.137 20 30 CGEDMO N#Cc1cc(C[NH2+][C@H]2CCOc3c(F)cccc32)cs1 ZINC000922039779 625965716 /nfs/dbraw/zinc/96/57/16/625965716.db2.gz VPSGHDDXVNIWPK-AWEZNQCLSA-N 1 1 288.347 3.372 20 30 CGEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC001016345405 625968580 /nfs/dbraw/zinc/96/85/80/625968580.db2.gz KCTFKFGDWDKHLJ-QAPCUYQASA-N 1 1 298.430 3.028 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC001016345405 625968586 /nfs/dbraw/zinc/96/85/86/625968586.db2.gz KCTFKFGDWDKHLJ-QAPCUYQASA-N 1 1 298.430 3.028 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)C[C@@H]2CC[C@@H](C)C2)CC1 ZINC001003456824 625980115 /nfs/dbraw/zinc/98/01/15/625980115.db2.gz APPIOOSHFVHUPD-TZMCWYRMSA-N 1 1 298.858 3.146 20 30 CGEDMO N#Cc1cc(CN[C@@H]2CC[N@H+](C3CCCCC3)C2)cs1 ZINC000922248540 625989899 /nfs/dbraw/zinc/98/98/99/625989899.db2.gz DLVMLSKSFQSGSA-CQSZACIVSA-N 1 1 289.448 3.116 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)C2CCC=CCC2)CC1 ZINC001004162208 626007837 /nfs/dbraw/zinc/00/78/37/626007837.db2.gz DLKJTQUVYXCKQH-UHFFFAOYSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)/C(C)=C/C)CC1 ZINC001004402584 626046924 /nfs/dbraw/zinc/04/69/24/626046924.db2.gz QAVGEZPXAKMSIY-GYKBNXPHSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)C=C)CC1 ZINC001004503986 626064185 /nfs/dbraw/zinc/06/41/85/626064185.db2.gz AHBLLLGTTRJLAO-INIZCTEOSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](F)CC)CC1 ZINC001004502982 626064401 /nfs/dbraw/zinc/06/44/01/626064401.db2.gz WFTINWPIHNNMTG-CVEARBPZSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H](C)C2CCC2)CC1 ZINC001005568231 626092350 /nfs/dbraw/zinc/09/23/50/626092350.db2.gz DQDGOBFAVXTHPO-ZDUSSCGKSA-N 1 1 298.858 3.098 20 30 CGEDMO C#Cc1ccc(NCc2c[nH+]c3n2CCC3)c(Cl)c1 ZINC000922925322 626102335 /nfs/dbraw/zinc/10/23/35/626102335.db2.gz IULDKQZFERRDOJ-UHFFFAOYSA-N 1 1 271.751 3.076 20 30 CGEDMO CCC[N@@H+](CC(C)C)[C@@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000839473644 626354822 /nfs/dbraw/zinc/35/48/22/626354822.db2.gz PWWBPZRNDZZZLA-MRXNPFEDSA-N 1 1 288.391 3.140 20 30 CGEDMO COc1ccc(N[NH+]=Cc2ccc(N(C)C)cc2)cc1 ZINC000750920837 626368947 /nfs/dbraw/zinc/36/89/47/626368947.db2.gz CMHYUEVDELATTP-UHFFFAOYSA-N 1 1 269.348 3.207 20 30 CGEDMO CCCCC(N)=[NH+]OCc1ccc(C#N)cc1OC(F)F ZINC000753116530 626445901 /nfs/dbraw/zinc/44/59/01/626445901.db2.gz BJCYBGZEDNCQKM-UHFFFAOYSA-N 1 1 297.305 3.348 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2c[nH]c(-c3ccccc3)n2)cc1 ZINC000754329444 626567665 /nfs/dbraw/zinc/56/76/65/626567665.db2.gz ZSZULELADQOTFY-UHFFFAOYSA-N 1 1 288.354 3.238 20 30 CGEDMO C#CC[N@H+](Cc1cc(C)cc(OC)c1O)C1CCCCC1 ZINC000754720802 626584690 /nfs/dbraw/zinc/58/46/90/626584690.db2.gz QNNDQAPNRBLGSG-UHFFFAOYSA-N 1 1 287.403 3.477 20 30 CGEDMO CCCCCCCCNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000755075561 626599341 /nfs/dbraw/zinc/59/93/41/626599341.db2.gz NZVUULNWIGTEQO-HZPDHXFCSA-N 1 1 297.487 3.329 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1csc2ccccc12 ZINC000756551947 626714772 /nfs/dbraw/zinc/71/47/72/626714772.db2.gz HRLOVKRQGQXABK-CYBMUJFWSA-N 1 1 299.395 3.156 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 ZINC000757111361 626755340 /nfs/dbraw/zinc/75/53/40/626755340.db2.gz WFJDTVZDLWNUDI-KGLIPLIRSA-N 1 1 282.428 3.188 20 30 CGEDMO C#C[C@@H](CC)[NH2+]Cc1csc(-c2ccc(OC)cc2)n1 ZINC000809685672 626767534 /nfs/dbraw/zinc/76/75/34/626767534.db2.gz JUSLEBWBOMVTIV-ZDUSSCGKSA-N 1 1 286.400 3.320 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CC[C@H](CC(C)(C)C)C1(C)C ZINC000839667745 626773679 /nfs/dbraw/zinc/77/36/79/626773679.db2.gz ZAXOHLUBYNJFEW-UONOGXRCSA-N 1 1 266.429 3.452 20 30 CGEDMO C#CCCCC(=O)OC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000759548985 626905303 /nfs/dbraw/zinc/90/53/03/626905303.db2.gz INVWZTJNLBHBOH-IBGZPJMESA-N 1 1 299.414 3.388 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1c(C)cc(C)cc1C ZINC000760818565 626992277 /nfs/dbraw/zinc/99/22/77/626992277.db2.gz GTJWTVZNEDFRNS-UHFFFAOYSA-N 1 1 259.393 3.084 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CCOCC3(CCC3)C2)cc1 ZINC000761226981 627026826 /nfs/dbraw/zinc/02/68/26/627026826.db2.gz UATRPURPRPQOJM-UHFFFAOYSA-N 1 1 299.414 3.091 20 30 CGEDMO CC(C)c1[nH+]c(/C=C\C(=O)c2cnccn2)c2ccccn21 ZINC000762605066 627117001 /nfs/dbraw/zinc/11/70/01/627117001.db2.gz TUROSNLJNCAXGG-SREVYHEPSA-N 1 1 292.342 3.144 20 30 CGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCCc3sccc3C2)cc1 ZINC000763410653 627157051 /nfs/dbraw/zinc/15/70/51/627157051.db2.gz NFSRAVCOGGWWRJ-INIZCTEOSA-N 1 1 298.411 3.102 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)OCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000835599109 634553232 /nfs/dbraw/zinc/55/32/32/634553232.db2.gz ABDHYIBBWIXIAM-AVOUXACISA-N 1 1 265.397 3.005 20 30 CGEDMO CC#CCC[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000764953015 627234183 /nfs/dbraw/zinc/23/41/83/627234183.db2.gz CWKXZWIJUCPIAW-UHFFFAOYSA-N 1 1 256.393 3.130 20 30 CGEDMO Brc1ccc(N=NC2CC[N@H+]3CCC[C@H]23)cc1 ZINC000765572944 627259894 /nfs/dbraw/zinc/25/98/94/627259894.db2.gz QLDRBFYVMQMKCT-CYBMUJFWSA-N 1 1 294.196 3.085 20 30 CGEDMO FC(F)(F)c1ccc(CNN=C2CC[N@H+]3CCC[C@@H]23)cc1 ZINC000765573990 627260413 /nfs/dbraw/zinc/26/04/13/627260413.db2.gz ZRZFUYMVOXWKDY-AWEZNQCLSA-N 1 1 297.324 3.019 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cn1c2ccccc2nc1SCC=C ZINC000766666388 627351838 /nfs/dbraw/zinc/35/18/38/627351838.db2.gz RSXHERIKDRLQPA-ZDUSSCGKSA-N 1 1 285.416 3.225 20 30 CGEDMO C#CCCC[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000766895408 627367746 /nfs/dbraw/zinc/36/77/46/627367746.db2.gz KUQMSJOXDZLCED-CABCVRRESA-N 1 1 298.213 3.297 20 30 CGEDMO C#CCCC[N@H+](CCOC)Cc1ccc(F)cc1Cl ZINC000766899492 627368247 /nfs/dbraw/zinc/36/82/47/627368247.db2.gz BEECKXXYFCJMBO-UHFFFAOYSA-N 1 1 283.774 3.341 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@@H](Cc2ccc(OC)cc2)C1 ZINC000766902096 627369330 /nfs/dbraw/zinc/36/93/30/627369330.db2.gz CVQKUTHUJCMGSY-KRWDZBQOSA-N 1 1 271.404 3.363 20 30 CGEDMO C#CCCC[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 ZINC000766941261 627371923 /nfs/dbraw/zinc/37/19/23/627371923.db2.gz WEKSXFJKCRVUQI-CABCVRRESA-N 1 1 294.439 3.025 20 30 CGEDMO C#CCCC[N@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000766939024 627372174 /nfs/dbraw/zinc/37/21/74/627372174.db2.gz GNJJNGMJMBJEEW-OAHLLOKOSA-N 1 1 295.329 3.075 20 30 CGEDMO N#CC1(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)CC1 ZINC000767120296 627384146 /nfs/dbraw/zinc/38/41/46/627384146.db2.gz RNIXNTFRXCLOSV-HOTGVXAUSA-N 1 1 288.366 3.017 20 30 CGEDMO CN(C)c1ccc(C=[NH+]Nc2cccc(C#N)c2)cc1 ZINC000767335474 627398727 /nfs/dbraw/zinc/39/87/27/627398727.db2.gz FRYWTEYDAIOCIG-UHFFFAOYSA-N 1 1 264.332 3.070 20 30 CGEDMO C=C(C)CCOC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000768799266 627501010 /nfs/dbraw/zinc/50/10/10/627501010.db2.gz QDMLPGGYMSEYLG-INIZCTEOSA-N 1 1 273.376 3.160 20 30 CGEDMO C=C(C)CCOC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000768799266 627501014 /nfs/dbraw/zinc/50/10/14/627501014.db2.gz QDMLPGGYMSEYLG-INIZCTEOSA-N 1 1 273.376 3.160 20 30 CGEDMO C#CC[N@@H+](CC)Cc1ccccc1OC(F)(F)F ZINC000769112075 627523076 /nfs/dbraw/zinc/52/30/76/627523076.db2.gz XEJCNYNEEXYQEG-UHFFFAOYSA-N 1 1 257.255 3.040 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccccc1OC(F)(F)F ZINC000769112075 627523078 /nfs/dbraw/zinc/52/30/78/627523078.db2.gz XEJCNYNEEXYQEG-UHFFFAOYSA-N 1 1 257.255 3.040 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CCCC2(C)C)cc1 ZINC000769245737 627532964 /nfs/dbraw/zinc/53/29/64/627532964.db2.gz VOFLMNGBKGCVEV-UHFFFAOYSA-N 1 1 257.377 3.463 20 30 CGEDMO C#CCCOc1ccc(C[N@H+](CCC)CC(C)(C)O)cc1 ZINC000769325911 627541662 /nfs/dbraw/zinc/54/16/62/627541662.db2.gz CTVSNDWMQYWBJN-UHFFFAOYSA-N 1 1 289.419 3.072 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+](C[C@H](C)C#N)C2CC2)cc1 ZINC000769544277 627564352 /nfs/dbraw/zinc/56/43/52/627564352.db2.gz IKJLTOXYEXOIKO-OAHLLOKOSA-N 1 1 282.387 3.213 20 30 CGEDMO C#CCCOc1ccc(C[N@H+](C[C@H](C)C#N)C2CC2)cc1 ZINC000769544277 627564356 /nfs/dbraw/zinc/56/43/56/627564356.db2.gz IKJLTOXYEXOIKO-OAHLLOKOSA-N 1 1 282.387 3.213 20 30 CGEDMO C[C@@H](C#N)C[N@H+](Cc1ccc(O[C@@H](C)C#N)cc1)C1CC1 ZINC000769545245 627564408 /nfs/dbraw/zinc/56/44/08/627564408.db2.gz NDEKEMKTTNHXPA-KBPBESRZSA-N 1 1 283.375 3.102 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](Cc1ccc(O[C@@H](C)C#N)cc1)C1CC1 ZINC000769545245 627564412 /nfs/dbraw/zinc/56/44/12/627564412.db2.gz NDEKEMKTTNHXPA-KBPBESRZSA-N 1 1 283.375 3.102 20 30 CGEDMO C[C@@H]1CC(=NNCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000769809192 627579837 /nfs/dbraw/zinc/57/98/37/627579837.db2.gz YLGSVWLXJWJCIZ-GFCCVEGCSA-N 1 1 299.340 3.179 20 30 CGEDMO C=CC[C@H]1[N@H+](CC[C@H]2CCOC2=O)CCCC1(C)C ZINC000769954481 627592055 /nfs/dbraw/zinc/59/20/55/627592055.db2.gz TWNBKBGSPDKRPB-UONOGXRCSA-N 1 1 265.397 3.006 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1cc(Br)ccc1F ZINC000769961033 627593106 /nfs/dbraw/zinc/59/31/06/627593106.db2.gz MKABYLQSSQXWNJ-VIFPVBQESA-N 1 1 270.145 3.042 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1cc(Br)ccc1F ZINC000769961033 627593107 /nfs/dbraw/zinc/59/31/07/627593107.db2.gz MKABYLQSSQXWNJ-VIFPVBQESA-N 1 1 270.145 3.042 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CC[C@H](C)[C@H]2C)cc1 ZINC000770282067 627611221 /nfs/dbraw/zinc/61/12/21/627611221.db2.gz CTJOEAQYGBQSPL-LSDHHAIUSA-N 1 1 257.377 3.319 20 30 CGEDMO N#Cc1ccc(F)c(C[NH2+][C@@H]2CCCc3occc32)c1 ZINC000774253323 627969218 /nfs/dbraw/zinc/96/92/18/627969218.db2.gz OPGFNKIZZMSUSW-OAHLLOKOSA-N 1 1 270.307 3.458 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000775183534 628070485 /nfs/dbraw/zinc/07/04/85/628070485.db2.gz NURNMPLCDLLISG-OAHLLOKOSA-N 1 1 295.382 3.425 20 30 CGEDMO C#C[C@H]([NH2+]Cc1ccc(-c2ccc(F)cc2)o1)[C@@H]1CCCO1 ZINC000775339220 628083759 /nfs/dbraw/zinc/08/37/59/628083759.db2.gz ATUNMAJUKWSTQB-WMZOPIPTSA-N 1 1 299.345 3.356 20 30 CGEDMO C#C[C@H]([NH2+][C@@H](C)c1ccccc1Cl)[C@@H]1CCCO1 ZINC000775571840 628109275 /nfs/dbraw/zinc/10/92/75/628109275.db2.gz LQSYSFXWVBHKCN-CQDKDKBSSA-N 1 1 263.768 3.171 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CCC(C)(C)O1 ZINC000775587297 628111191 /nfs/dbraw/zinc/11/11/91/628111191.db2.gz XQCAEMYOLKDCEO-INIZCTEOSA-N 1 1 275.367 3.219 20 30 CGEDMO C=C[C@@H](CC)OC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000776104405 628167612 /nfs/dbraw/zinc/16/76/12/628167612.db2.gz OPJMFNLFJWWVAK-JKSUJKDBSA-N 1 1 273.376 3.159 20 30 CGEDMO C=C[C@@H](CC)OC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000776104405 628167616 /nfs/dbraw/zinc/16/76/16/628167616.db2.gz OPJMFNLFJWWVAK-JKSUJKDBSA-N 1 1 273.376 3.159 20 30 CGEDMO C=CC[C@@H](C(=O)OCCn1cc[nH+]c1C)c1ccccc1 ZINC000778417234 628350026 /nfs/dbraw/zinc/35/00/26/628350026.db2.gz GDKSJKWQNIWTRS-MRXNPFEDSA-N 1 1 284.359 3.095 20 30 CGEDMO CCCCNN=C(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779771718 628428384 /nfs/dbraw/zinc/42/83/84/628428384.db2.gz DDIVWHAWAWKPAK-QGZVFWFLSA-N 1 1 273.424 3.274 20 30 CGEDMO CC(C)CC(=NNc1cc[nH+]cc1)c1ccccc1 ZINC000779809479 628433885 /nfs/dbraw/zinc/43/38/85/628433885.db2.gz JVTHTCYGYMLPAF-UHFFFAOYSA-N 1 1 253.349 3.366 20 30 CGEDMO Clc1cc(C=NNc2cc[nH+]cc2)c2ncccc2c1 ZINC000779810479 628433982 /nfs/dbraw/zinc/43/39/82/628433982.db2.gz CYHLGQRLPCFJGI-UHFFFAOYSA-N 1 1 282.734 3.151 20 30 CGEDMO Clc1oc2ccccc2c1C=NNc1cc[nH+]cc1 ZINC000779810469 628434085 /nfs/dbraw/zinc/43/40/85/628434085.db2.gz CGUXJBVCICPHBV-UHFFFAOYSA-N 1 1 271.707 3.349 20 30 CGEDMO N#CCC[N@@H+](CC1CC1)C[C@H]1CCc2ccccc21 ZINC000780293350 628479233 /nfs/dbraw/zinc/47/92/33/628479233.db2.gz SWHXEAXEXBIUHU-MRXNPFEDSA-N 1 1 254.377 3.342 20 30 CGEDMO C[C@@H](CN[C@@H](C)c1ccc(C#N)cc1F)[NH+]1CCCCC1 ZINC000781420951 628558624 /nfs/dbraw/zinc/55/86/24/628558624.db2.gz NHAKMVNYONEBEU-KBPBESRZSA-N 1 1 289.398 3.222 20 30 CGEDMO CC(C)c1ccc(NC(=O)C[NH+]2CCC(CC#N)CC2)cc1 ZINC000782090077 628615440 /nfs/dbraw/zinc/61/54/40/628615440.db2.gz ZDCDXQWIUWFUKX-UHFFFAOYSA-N 1 1 299.418 3.374 20 30 CGEDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(C#N)cn1 ZINC000783299506 628700853 /nfs/dbraw/zinc/70/08/53/628700853.db2.gz CUAUUAFEYWBJIT-GFCCVEGCSA-N 1 1 296.330 3.021 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CCc3ncsc3C2)cc1 ZINC000783746520 628744296 /nfs/dbraw/zinc/74/42/96/628744296.db2.gz ZBUKMNLKZJYRQY-UHFFFAOYSA-N 1 1 298.411 3.104 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CCc3ncsc3C2)cc1 ZINC000783746520 628744298 /nfs/dbraw/zinc/74/42/98/628744298.db2.gz ZBUKMNLKZJYRQY-UHFFFAOYSA-N 1 1 298.411 3.104 20 30 CGEDMO CCCCCCCC[N@H+]1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000784356521 628808797 /nfs/dbraw/zinc/80/87/97/628808797.db2.gz PXKDPSACGBZERE-JKSUJKDBSA-N 1 1 281.440 3.417 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000784484329 628815504 /nfs/dbraw/zinc/81/55/04/628815504.db2.gz YDFMUWWBCALLDA-UKRRQHHQSA-N 1 1 299.336 3.432 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CCNC(=O)OC(C)(C)C ZINC000805764168 628824180 /nfs/dbraw/zinc/82/41/80/628824180.db2.gz XXQFIWCNTGTFIW-AWEZNQCLSA-N 1 1 282.428 3.332 20 30 CGEDMO C#CC[N@H+](C[C@@H](C)NC(=O)OC(C)(C)C)C1CCCCC1 ZINC000785446138 628862543 /nfs/dbraw/zinc/86/25/43/628862543.db2.gz YDWWLURGJUJWMO-CQSZACIVSA-N 1 1 294.439 3.168 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000785685634 628880373 /nfs/dbraw/zinc/88/03/73/628880373.db2.gz GBCNEWHEATZDJH-AWEZNQCLSA-N 1 1 282.428 3.332 20 30 CGEDMO N#C[C@@]1(F)CC[N@H+](Cn2ccc(=S)c3ccccc32)C1 ZINC000786102792 628914135 /nfs/dbraw/zinc/91/41/35/628914135.db2.gz VIMDOZGYRXFMCF-HNNXBMFYSA-N 1 1 287.363 3.266 20 30 CGEDMO N#C[C@@]1(F)CC[N@@H+](Cn2ccc(=S)c3ccccc32)C1 ZINC000786102792 628914139 /nfs/dbraw/zinc/91/41/39/628914139.db2.gz VIMDOZGYRXFMCF-HNNXBMFYSA-N 1 1 287.363 3.266 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCCC[C@@H]2C=C)cc1 ZINC000787311176 629008039 /nfs/dbraw/zinc/00/80/39/629008039.db2.gz SZEASPVAUJGENH-INIZCTEOSA-N 1 1 255.361 3.239 20 30 CGEDMO CC[C@@H](C)NN=C1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000790187780 629191265 /nfs/dbraw/zinc/19/12/65/629191265.db2.gz HFNWPDROBGUVRR-ZIAGYGMSSA-N 1 1 259.397 3.025 20 30 CGEDMO CC[C@@H](C)NN=C1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000790187780 629191267 /nfs/dbraw/zinc/19/12/67/629191267.db2.gz HFNWPDROBGUVRR-ZIAGYGMSSA-N 1 1 259.397 3.025 20 30 CGEDMO C#C[C@H](CCC)[NH2+][C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000790547813 629216672 /nfs/dbraw/zinc/21/66/72/629216672.db2.gz ZOENPEYYKHVHFV-QZTJIDSGSA-N 1 1 298.430 3.132 20 30 CGEDMO C#CC[N@H+](Cc1ccnc(F)c1C)C1CCCCC1 ZINC000862234876 629328545 /nfs/dbraw/zinc/32/85/45/629328545.db2.gz FBKVOJGKYMMYEH-UHFFFAOYSA-N 1 1 260.356 3.297 20 30 CGEDMO C#C[C@H]([NH2+]Cc1ncc(Br)cc1F)C(C)(C)C ZINC000862368711 629354249 /nfs/dbraw/zinc/35/42/49/629354249.db2.gz LLFMKVCBSQUCCA-LBPRGKRZSA-N 1 1 299.187 3.121 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2ccc(Br)cc2F)C1 ZINC000862442793 629375071 /nfs/dbraw/zinc/37/50/71/629375071.db2.gz IASOUKGLSKKDNJ-NSHDSACASA-N 1 1 296.183 3.433 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(Br)cc2F)C1 ZINC000862442793 629375077 /nfs/dbraw/zinc/37/50/77/629375077.db2.gz IASOUKGLSKKDNJ-NSHDSACASA-N 1 1 296.183 3.433 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2sc3nc(C)nc(C)c3c2C)C1 ZINC000862444117 629376360 /nfs/dbraw/zinc/37/63/60/629376360.db2.gz XZRYVZYMHFOBFY-CQSZACIVSA-N 1 1 299.443 3.462 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(OCC=C)cc2)C1 ZINC000862443526 629377246 /nfs/dbraw/zinc/37/72/46/629377246.db2.gz QLZBLIUTUMAFSS-OAHLLOKOSA-N 1 1 255.361 3.097 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC000862444933 629377767 /nfs/dbraw/zinc/37/77/67/629377767.db2.gz JDGLZUREIKARHR-NSHDSACASA-N 1 1 251.732 3.324 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2ccc3c(c2)OCCCCO3)C1 ZINC000862447044 629379319 /nfs/dbraw/zinc/37/93/19/629379319.db2.gz HGCJARVUWKHXII-HNNXBMFYSA-N 1 1 285.387 3.083 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc3nc(C)sc3c2)C1 ZINC000862445393 629380184 /nfs/dbraw/zinc/38/01/84/629380184.db2.gz SEELYIMYNIHJMG-ZDUSSCGKSA-N 1 1 270.401 3.450 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1 ZINC000862473200 629384262 /nfs/dbraw/zinc/38/42/62/629384262.db2.gz IQLBBKBOKQORNR-SJORKVTESA-N 1 1 287.428 3.169 20 30 CGEDMO N#CCc1cccc2c1CC[N@H+](Cc1cc(F)ccc1O)C2 ZINC000862542755 629397633 /nfs/dbraw/zinc/39/76/33/629397633.db2.gz ZOCLNABFZHQZMD-UHFFFAOYSA-N 1 1 296.345 3.156 20 30 CGEDMO c1cnn(N=C2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC000863164622 629487877 /nfs/dbraw/zinc/48/78/77/629487877.db2.gz PYPNSFZXQZTKIE-IAGOWNOFSA-N 1 1 294.402 3.019 20 30 CGEDMO c1cnn(N=C2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC000863164622 629487878 /nfs/dbraw/zinc/48/78/78/629487878.db2.gz PYPNSFZXQZTKIE-IAGOWNOFSA-N 1 1 294.402 3.019 20 30 CGEDMO c1cnn(N=C2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c1 ZINC000863164623 629488079 /nfs/dbraw/zinc/48/80/79/629488079.db2.gz PYPNSFZXQZTKIE-IRXDYDNUSA-N 1 1 294.402 3.019 20 30 CGEDMO c1cnn(N=C2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c1 ZINC000863164623 629488082 /nfs/dbraw/zinc/48/80/82/629488082.db2.gz PYPNSFZXQZTKIE-IRXDYDNUSA-N 1 1 294.402 3.019 20 30 CGEDMO C#CC(C)(C)[N@H+](C)C[C@@H](OC(C)C)c1ccccc1 ZINC000794529094 629550656 /nfs/dbraw/zinc/55/06/56/629550656.db2.gz BBGZTEITXGXASM-MRXNPFEDSA-N 1 1 259.393 3.496 20 30 CGEDMO FCC[C@H]1CCCC1=[NH+]n1cc(Br)cn1 ZINC000794924127 629599921 /nfs/dbraw/zinc/59/99/21/629599921.db2.gz VAEHDHFHJCIXBC-MRVPVSSYSA-N 1 1 274.137 3.009 20 30 CGEDMO CC1=CCC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000797823239 629988512 /nfs/dbraw/zinc/98/85/12/629988512.db2.gz PEQDZGQGFAXEJE-UHFFFAOYSA-N 1 1 278.359 3.031 20 30 CGEDMO CCC[N@@H+]1Cc2cccc(NC(=O)c3coc(C#N)c3)c2C1 ZINC000865136164 630011525 /nfs/dbraw/zinc/01/15/25/630011525.db2.gz VCBWOUNRSBFSFM-UHFFFAOYSA-N 1 1 295.342 3.129 20 30 CGEDMO CCC[N@H+]1Cc2cccc(NC(=O)c3coc(C#N)c3)c2C1 ZINC000865136164 630011528 /nfs/dbraw/zinc/01/15/28/630011528.db2.gz VCBWOUNRSBFSFM-UHFFFAOYSA-N 1 1 295.342 3.129 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000799330796 630168274 /nfs/dbraw/zinc/16/82/74/630168274.db2.gz XLRQZBDZUBHNDV-IPYPFGDCSA-N 1 1 269.816 3.409 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000799330796 630168278 /nfs/dbraw/zinc/16/82/78/630168278.db2.gz XLRQZBDZUBHNDV-IPYPFGDCSA-N 1 1 269.816 3.409 20 30 CGEDMO Cc1[nH+]ccn1CCCCOC(=O)c1ccc(C)c(C#N)c1 ZINC000799547338 630198115 /nfs/dbraw/zinc/19/81/15/630198115.db2.gz PORSTURKGMBLTM-UHFFFAOYSA-N 1 1 297.358 3.009 20 30 CGEDMO CCCn1cc(C[NH2+][C@@H](CCCC#N)c2ccccc2)nn1 ZINC000865579364 630199962 /nfs/dbraw/zinc/19/99/62/630199962.db2.gz ZVCMAGCMOGRMOX-KRWDZBQOSA-N 1 1 297.406 3.213 20 30 CGEDMO Cc1cc(Cl)nc(C[NH2+]Cc2cc(C#N)cs2)c1 ZINC000800284797 630261217 /nfs/dbraw/zinc/26/12/17/630261217.db2.gz PLLYSRCFDJLEBA-UHFFFAOYSA-N 1 1 277.780 3.266 20 30 CGEDMO C#CCCC[N@@H+]1CC[C@@](F)(c2cc(C)cc(F)c2)C1 ZINC000800475907 630283682 /nfs/dbraw/zinc/28/36/82/630283682.db2.gz XNENCPCBBOKXLI-INIZCTEOSA-N 1 1 263.331 3.418 20 30 CGEDMO C#CC[N@@H+](C[C@H]1CCC2(CCCC2)O1)C1CCCC1 ZINC000801520592 630340573 /nfs/dbraw/zinc/34/05/73/630340573.db2.gz HWDCMCCNSDONSC-MRXNPFEDSA-N 1 1 261.409 3.356 20 30 CGEDMO C#CC[N@H+](C[C@@H](OC)c1ccc(Cl)cc1)C1CC1 ZINC000801540807 630342260 /nfs/dbraw/zinc/34/22/60/630342260.db2.gz XZURZUYAEFVGLW-OAHLLOKOSA-N 1 1 263.768 3.125 20 30 CGEDMO CCCCCCCC[N@@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000801543275 630342518 /nfs/dbraw/zinc/34/25/18/630342518.db2.gz VOAJKFKNYOVYGI-HNNXBMFYSA-N 1 1 267.413 3.027 20 30 CGEDMO CCCCCCCC[N@H+]1CCO[C@H](C(=O)C2CC2)C1 ZINC000801543275 630342521 /nfs/dbraw/zinc/34/25/21/630342521.db2.gz VOAJKFKNYOVYGI-HNNXBMFYSA-N 1 1 267.413 3.027 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000801910552 630363926 /nfs/dbraw/zinc/36/39/26/630363926.db2.gz UGYFXAWJEHTZGL-WOSRLPQWSA-N 1 1 288.391 3.296 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000801912862 630364628 /nfs/dbraw/zinc/36/46/28/630364628.db2.gz GZUDLTKBLCCHDK-WBVHZDCISA-N 1 1 272.392 3.012 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000801916019 630366029 /nfs/dbraw/zinc/36/60/29/630366029.db2.gz QEAPDWOIZZKQIO-HIFRSBDPSA-N 1 1 292.810 3.276 20 30 CGEDMO CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CCO[C@@H](C)C#N ZINC000801924698 630367436 /nfs/dbraw/zinc/36/74/36/630367436.db2.gz YKTCFDIWMMLROS-RDJZCZTQSA-N 1 1 274.408 3.177 20 30 CGEDMO CC[C@@H]1C[N@@H+](CCO[C@H](C)C#N)CC[C@@H]1c1ccccc1 ZINC000801924887 630367583 /nfs/dbraw/zinc/36/75/83/630367583.db2.gz ARAYWLHFHPDABT-NUJGCVRESA-N 1 1 286.419 3.431 20 30 CGEDMO Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CCO[C@H](C)C#N)o1 ZINC000801926010 630367705 /nfs/dbraw/zinc/36/77/05/630367705.db2.gz UATNBEADDGQLFM-YUELXQCFSA-N 1 1 276.380 3.290 20 30 CGEDMO Cc1ccc(C)c([C@H]2CCC[N@@H+]2CCO[C@H](C)C#N)c1 ZINC000801928403 630368798 /nfs/dbraw/zinc/36/87/98/630368798.db2.gz AHMZXYKGSWAKCC-NVXWUHKLSA-N 1 1 272.392 3.369 20 30 CGEDMO CC[C@@H](C[N@@H+](CC)CCO[C@@H](C)C#N)c1ccccc1 ZINC000801943197 630372112 /nfs/dbraw/zinc/37/21/12/630372112.db2.gz NCDSTJQCQWKAQX-HOTGVXAUSA-N 1 1 274.408 3.431 20 30 CGEDMO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@H](C)C(C)(C)C)c1 ZINC000802638105 630400206 /nfs/dbraw/zinc/40/02/06/630400206.db2.gz LFUDFWVCNPCMSY-CQSZACIVSA-N 1 1 286.419 3.220 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)CC[C@H](O)c1ccccc1 ZINC000808745504 630674451 /nfs/dbraw/zinc/67/44/51/630674451.db2.gz XSQGUGRPESRQHO-SFHVURJKSA-N 1 1 285.387 3.434 20 30 CGEDMO N#Cc1ccc(OCCC[N@H+]2CCC[C@H](C3CC3)C2)cc1 ZINC000808778204 630677162 /nfs/dbraw/zinc/67/71/62/630677162.db2.gz PBGIFZIAKRWDRR-KRWDZBQOSA-N 1 1 284.403 3.449 20 30 CGEDMO C[C@@H](c1ccc(Cl)cc1Cl)[N@H+](C)C[C@H](O)CC#N ZINC000809571337 630752319 /nfs/dbraw/zinc/75/23/19/630752319.db2.gz OIYVXRQXILYMQD-GXSJLCMTSA-N 1 1 287.190 3.261 20 30 CGEDMO C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+](C)C[C@H](O)CC#N ZINC000809571337 630752322 /nfs/dbraw/zinc/75/23/22/630752322.db2.gz OIYVXRQXILYMQD-GXSJLCMTSA-N 1 1 287.190 3.261 20 30 CGEDMO C#Cc1ccc(CNC[C@H](C(CC)CC)[NH+](C)C)cc1 ZINC000809603996 630759948 /nfs/dbraw/zinc/75/99/48/630759948.db2.gz DVGIXGSGXJWEKQ-GOSISDBHSA-N 1 1 272.436 3.124 20 30 CGEDMO C#C[C@H](C)[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000809683845 630779307 /nfs/dbraw/zinc/77/93/07/630779307.db2.gz RJPPQMVDEYPWPS-QMMMGPOBSA-N 1 1 261.674 3.470 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1cc(C)ccc1O ZINC000809718514 630791417 /nfs/dbraw/zinc/79/14/17/630791417.db2.gz UYUOHRHNZRIUFI-UHFFFAOYSA-N 1 1 265.356 3.336 20 30 CGEDMO N#Cc1csc(C[NH2+][C@H](c2ccc(F)cc2)C2CC2)n1 ZINC000810143584 630845630 /nfs/dbraw/zinc/84/56/30/630845630.db2.gz JNUHSDFDPYSHSW-HNNXBMFYSA-N 1 1 287.363 3.395 20 30 CGEDMO C#CCOc1ccc([C@H](C)N[C@H](C)C[N@H+](C)C(C)C)cc1 ZINC000810254747 630859962 /nfs/dbraw/zinc/85/99/62/630859962.db2.gz QFWDFOJQIDSZOL-CVEARBPZSA-N 1 1 288.435 3.078 20 30 CGEDMO C#CCOc1ccc([C@H](C)N[C@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000810254747 630859968 /nfs/dbraw/zinc/85/99/68/630859968.db2.gz QFWDFOJQIDSZOL-CVEARBPZSA-N 1 1 288.435 3.078 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)cc1 ZINC000811510574 631078239 /nfs/dbraw/zinc/07/82/39/631078239.db2.gz KHIPRXVZDBINNP-IAGOWNOFSA-N 1 1 269.388 3.057 20 30 CGEDMO C#CCOc1ccc(C[NH2+][C@@H](C#C)c2ccc(F)cc2)cc1 ZINC000812793471 631312463 /nfs/dbraw/zinc/31/24/63/631312463.db2.gz VNTFZHOHUNECIA-IBGZPJMESA-N 1 1 293.341 3.302 20 30 CGEDMO C=CC[N@@H+](Cc1cncc(C(F)(F)F)c1)C(C)C ZINC000812823752 631319852 /nfs/dbraw/zinc/31/98/52/631319852.db2.gz JMKUSGGGWIVBKR-UHFFFAOYSA-N 1 1 258.287 3.497 20 30 CGEDMO CC[N@@H+](CCCSCC#N)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812853172 631326595 /nfs/dbraw/zinc/32/65/95/631326595.db2.gz OITBOJZHMLIHOB-GDBMZVCRSA-N 1 1 292.448 3.077 20 30 CGEDMO C#CC[N@H+](Cc1cccc(C#N)n1)[C@@H]1CCc2ccccc21 ZINC000876513625 634849780 /nfs/dbraw/zinc/84/97/80/634849780.db2.gz OLXRKBYOUJDNLT-LJQANCHMSA-N 1 1 287.366 3.076 20 30 CGEDMO C#CC[N@@H+](Cc1cccc(C#N)n1)[C@@H]1CCc2ccccc21 ZINC000876513625 634849782 /nfs/dbraw/zinc/84/97/82/634849782.db2.gz OLXRKBYOUJDNLT-LJQANCHMSA-N 1 1 287.366 3.076 20 30 CGEDMO CC(=[NH+]OCC1CC1)c1ccc(F)cc1N(C)C ZINC000814242305 631556733 /nfs/dbraw/zinc/55/67/33/631556733.db2.gz YAPHSRLPFAUGLP-UHFFFAOYSA-N 1 1 250.317 3.042 20 30 CGEDMO CC(=NOCC1CC1)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000814243268 631557252 /nfs/dbraw/zinc/55/72/52/631557252.db2.gz NYTWTRRUUGVQLO-UHFFFAOYSA-N 1 1 269.348 3.331 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000814666466 631618535 /nfs/dbraw/zinc/61/85/35/631618535.db2.gz HCTNBOSZXAUGPQ-TZMCWYRMSA-N 1 1 278.783 3.058 20 30 CGEDMO CC(=[NH+]N[C@@H](C)C(C)(C)C)c1cc(N)ccc1F ZINC000814937349 631691687 /nfs/dbraw/zinc/69/16/87/631691687.db2.gz CRDRSOJLBRIUHE-JTQLQIEISA-N 1 1 251.349 3.156 20 30 CGEDMO Cc1cc(C[N@H+](CCC#N)CC(C)C)ccc1N(C)C ZINC000815052079 631707686 /nfs/dbraw/zinc/70/76/86/631707686.db2.gz BWGRAFIYLSFUPG-UHFFFAOYSA-N 1 1 273.424 3.433 20 30 CGEDMO C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](CCOCCC#N)C1 ZINC000815054502 631707701 /nfs/dbraw/zinc/70/77/01/631707701.db2.gz LEOAYCUBCKMAON-BBRMVZONSA-N 1 1 276.355 3.139 20 30 CGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CC[C@@H](C3CCCC3)C2)cc1 ZINC000817283367 632114855 /nfs/dbraw/zinc/11/48/55/632114855.db2.gz UBEUSHVXKOBRGZ-MSOLQXFVSA-N 1 1 284.403 3.104 20 30 CGEDMO CCCCCCCCC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000819717730 632503168 /nfs/dbraw/zinc/50/31/68/632503168.db2.gz JLDGTNRDLCADOQ-JKSUJKDBSA-N 1 1 280.456 3.290 20 30 CGEDMO COc1ccc(O)c(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000822526517 632961591 /nfs/dbraw/zinc/96/15/91/632961591.db2.gz VZKYQGDDFGMSBT-ZDUSSCGKSA-N 1 1 296.370 3.465 20 30 CGEDMO Cc1ccc(Cl)cc1-c1noc([C@H]([NH3+])CCCC#N)n1 ZINC000822803463 633023343 /nfs/dbraw/zinc/02/33/43/633023343.db2.gz LUDOFEROSXUYTJ-GFCCVEGCSA-N 1 1 290.754 3.392 20 30 CGEDMO CCc1noc(CC)c1C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866282187 633065053 /nfs/dbraw/zinc/06/50/53/633065053.db2.gz ZKGHGLUEHMYMLG-NSHDSACASA-N 1 1 299.374 3.227 20 30 CGEDMO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccc[nH]1 ZINC000866313164 633078411 /nfs/dbraw/zinc/07/84/11/633078411.db2.gz XGJRIPMKYFUUOY-WDEREUQCSA-N 1 1 255.321 3.004 20 30 CGEDMO C[C@H]([NH2+]Cc1cc(C2CC2)nn1C)c1ccc(C#N)cc1F ZINC000824153527 633204471 /nfs/dbraw/zinc/20/44/71/633204471.db2.gz NNUGPNKUZLUOTQ-NSHDSACASA-N 1 1 298.365 3.159 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@](C)(F)C2)cc1 ZINC000824471719 633248610 /nfs/dbraw/zinc/24/86/10/633248610.db2.gz GSUZVMRUHLFNIR-BBRMVZONSA-N 1 1 276.355 3.301 20 30 CGEDMO CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000825005427 633316544 /nfs/dbraw/zinc/31/65/44/633316544.db2.gz KFBAXERFSZBFOR-UONOGXRCSA-N 1 1 298.390 3.045 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@@H](CF)C2)cc1 ZINC000880299432 635970014 /nfs/dbraw/zinc/97/00/14/635970014.db2.gz SURZUFHABRUKBI-AWEZNQCLSA-N 1 1 260.356 3.279 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc3ccncc3s2)C1 ZINC000826533938 633411724 /nfs/dbraw/zinc/41/17/24/633411724.db2.gz BKVBUAHNZPKBIT-GFCCVEGCSA-N 1 1 256.374 3.142 20 30 CGEDMO Cc1cc(C)c(COC(=O)c2sccc2C#N)c(C)[nH+]1 ZINC000869373394 633436496 /nfs/dbraw/zinc/43/64/96/633436496.db2.gz NCVQULQECGWWNW-UHFFFAOYSA-N 1 1 286.356 3.297 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1cccc(SCC)c1 ZINC000827823190 633522239 /nfs/dbraw/zinc/52/22/39/633522239.db2.gz KFDSAIKXHGTCJB-UHFFFAOYSA-N 1 1 277.433 3.270 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1cc(C)c2ncccc2c1 ZINC000827823603 633522538 /nfs/dbraw/zinc/52/25/38/633522538.db2.gz QXWXMUGYMICQRB-UHFFFAOYSA-N 1 1 282.387 3.015 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CN(C2CCCCC2)C(=O)O1 ZINC000827930734 633535342 /nfs/dbraw/zinc/53/53/42/633535342.db2.gz QGXXRLUJLDFESR-HNNXBMFYSA-N 1 1 280.412 3.038 20 30 CGEDMO C[C@H](C[C@@H]1CCCC[N@H+]1C)OC(=O)c1ccc(C#N)s1 ZINC000870786353 633646343 /nfs/dbraw/zinc/64/63/43/633646343.db2.gz BPDDYWMPYLYTDE-NEPJUHHUSA-N 1 1 292.404 3.039 20 30 CGEDMO C=CCCCC[N@H+](C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000829158588 633706008 /nfs/dbraw/zinc/70/60/08/633706008.db2.gz BPFVWQWCPIPLLP-KRWDZBQOSA-N 1 1 286.419 3.076 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000871188224 633719327 /nfs/dbraw/zinc/71/93/27/633719327.db2.gz MJZXFRSMDMKADB-KRWDZBQOSA-N 1 1 286.419 3.042 20 30 CGEDMO C#CC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C)C1 ZINC000829773792 633779924 /nfs/dbraw/zinc/77/99/24/633779924.db2.gz JWZDNCSMQFRHQR-CVEARBPZSA-N 1 1 284.403 3.057 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+]([C@@H](C)c2nc(CCCC)no2)C1 ZINC000829775219 633780080 /nfs/dbraw/zinc/78/00/80/633780080.db2.gz ZKKQLGJENHGBJH-UONOGXRCSA-N 1 1 275.396 3.209 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000829784225 633781922 /nfs/dbraw/zinc/78/19/22/633781922.db2.gz HRMZHVYCEKJRLS-GDBMZVCRSA-N 1 1 252.361 3.355 20 30 CGEDMO C#CC[C@H]1CCC[N@H+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000829784031 633782103 /nfs/dbraw/zinc/78/21/03/633782103.db2.gz DVYDEKRFPLEWLH-GJZGRUSLSA-N 1 1 257.377 3.492 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](CCCCC(=O)OC(C)(C)C)C1 ZINC000829809389 633792369 /nfs/dbraw/zinc/79/23/69/633792369.db2.gz ABRQVQRBCDBCPF-HNNXBMFYSA-N 1 1 279.424 3.234 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000829809703 633793230 /nfs/dbraw/zinc/79/32/30/633793230.db2.gz FAKMGYJCYQYAOE-HUUCEWRRSA-N 1 1 252.361 3.355 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](C[C@H](OC)c2ccccc2)C1 ZINC000829815475 633796936 /nfs/dbraw/zinc/79/69/36/633796936.db2.gz MMDRMLXUZKXCHV-WBVHZDCISA-N 1 1 257.377 3.109 20 30 CGEDMO C#CC1CC[NH+](CC(=O)Nc2ccccc2C(C)C)CC1 ZINC000830304896 633848274 /nfs/dbraw/zinc/84/82/74/633848274.db2.gz BIOYLLHMMILFSG-UHFFFAOYSA-N 1 1 284.403 3.094 20 30 CGEDMO C#CC1CC[NH+]([C@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000830326152 633850500 /nfs/dbraw/zinc/85/05/00/633850500.db2.gz DIZLDAQKCSBUSG-CQSZACIVSA-N 1 1 295.386 3.067 20 30 CGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(Cc2ccccc2C)no1 ZINC000871789654 633865870 /nfs/dbraw/zinc/86/58/70/633865870.db2.gz NCBPSSFHJKHXMY-GFCCVEGCSA-N 1 1 277.755 3.111 20 30 CGEDMO CC(C)C[C@]1(C)CCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000830803445 633890271 /nfs/dbraw/zinc/89/02/71/633890271.db2.gz MQPZWWAKJJDWDL-MSOLQXFVSA-N 1 1 286.419 3.492 20 30 CGEDMO C=C(Br)C[N@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000831000881 633909369 /nfs/dbraw/zinc/90/93/69/633909369.db2.gz JHWBJOCBANGMFZ-XQHKEYJVSA-N 1 1 268.198 3.039 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](OC3CCC3)CC2)C1 ZINC000872280812 634100750 /nfs/dbraw/zinc/10/07/50/634100750.db2.gz PVSHQZXCGWCXMC-IJEWVQPXSA-N 1 1 262.397 3.102 20 30 CGEDMO FC1(F)CCC[C@H]1CNN=C1CCC[N@H+]2CCCC[C@H]12 ZINC000872405677 634134141 /nfs/dbraw/zinc/13/41/41/634134141.db2.gz QBVCXURIIKTGDP-GXTWGEPZSA-N 1 1 285.382 3.016 20 30 CGEDMO CCn1ccnc1[C@H](C)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000834640134 634205502 /nfs/dbraw/zinc/20/55/02/634205502.db2.gz HANSUPDYXPSWEF-KGLIPLIRSA-N 1 1 298.390 3.217 20 30 CGEDMO C=CCC1(NC(=O)CCCn2cc[nH+]c2C)CCCCC1 ZINC000836956575 634834451 /nfs/dbraw/zinc/83/44/51/634834451.db2.gz IOTNKTVWKJJGEE-UHFFFAOYSA-N 1 1 289.423 3.367 20 30 CGEDMO C#CCCCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC000877067235 634969516 /nfs/dbraw/zinc/96/95/16/634969516.db2.gz DXBMQOLGZBODRU-ALOPSCKCSA-N 1 1 262.441 3.175 20 30 CGEDMO N#Cc1cnc(Cl)c(C[NH2+][C@H](c2cccnc2)C2CC2)c1 ZINC000877123615 634991058 /nfs/dbraw/zinc/99/10/58/634991058.db2.gz MNRKUUNHAALGLA-HNNXBMFYSA-N 1 1 298.777 3.243 20 30 CGEDMO CC1=C(Br)C[N@@H+](C[C@@H](C)CCC#N)CC1 ZINC000877493516 635059107 /nfs/dbraw/zinc/05/91/07/635059107.db2.gz DOVNIJKMVUERNV-JTQLQIEISA-N 1 1 271.202 3.301 20 30 CGEDMO Cc1ccc(C[NH2+]CC2(C#N)CC2)c(C)c1Br ZINC000877494428 635059682 /nfs/dbraw/zinc/05/96/82/635059682.db2.gz PFHIBEWFDRNIAA-UHFFFAOYSA-N 1 1 293.208 3.459 20 30 CGEDMO C#C[C@H]([NH2+]Cc1c(Cl)cncc1Cl)C(C)C ZINC000877513196 635066015 /nfs/dbraw/zinc/06/60/15/635066015.db2.gz NUEQEQPXRQSHSV-LBPRGKRZSA-N 1 1 257.164 3.136 20 30 CGEDMO C#CCCCCCC[N@@H+]1CC[C@@](CO)(CCC)C1 ZINC000877537854 635078671 /nfs/dbraw/zinc/07/86/71/635078671.db2.gz QSWAQHVPHPCMOA-INIZCTEOSA-N 1 1 251.414 3.055 20 30 CGEDMO C[C@H](CC1(C#N)CCOCC1)Nc1cc(C2CC2)cc[nH+]1 ZINC000877540612 635079393 /nfs/dbraw/zinc/07/93/93/635079393.db2.gz DSRLXRXTSQANBX-CYBMUJFWSA-N 1 1 285.391 3.470 20 30 CGEDMO C#CCCCCCC[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000877541201 635079752 /nfs/dbraw/zinc/07/97/52/635079752.db2.gz DMSQUMSURSCKPO-OAHLLOKOSA-N 1 1 279.815 3.367 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000877552804 635087145 /nfs/dbraw/zinc/08/71/45/635087145.db2.gz XEIIJXADRBXRGO-AAEUAGOBSA-N 1 1 292.345 3.358 20 30 CGEDMO C#CCCCCCC[N@@H+]1CC[C@@H](OC)C(C)(C)C1 ZINC000877565506 635094420 /nfs/dbraw/zinc/09/44/20/635094420.db2.gz HNRLRLDLTYRVIL-OAHLLOKOSA-N 1 1 251.414 3.317 20 30 CGEDMO CCOc1cc(F)cc(C[N@@H+]2CCC[C@H](CC#N)C2)c1 ZINC000877622277 635118230 /nfs/dbraw/zinc/11/82/30/635118230.db2.gz JYBFRHCWHXDJLN-CYBMUJFWSA-N 1 1 276.355 3.350 20 30 CGEDMO CCOc1cc(F)cc(C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000877622277 635118234 /nfs/dbraw/zinc/11/82/34/635118234.db2.gz JYBFRHCWHXDJLN-CYBMUJFWSA-N 1 1 276.355 3.350 20 30 CGEDMO N#Cc1cnc(Cl)c(C[NH2+][C@@H]2CCc3ccc(O)cc32)c1 ZINC000877631459 635122920 /nfs/dbraw/zinc/12/29/20/635122920.db2.gz JSPXMCPWVNETFU-OAHLLOKOSA-N 1 1 299.761 3.089 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cnc1Cl)C[C@H]1CC1(C)C ZINC000877644998 635129892 /nfs/dbraw/zinc/12/98/92/635129892.db2.gz XTYNMDMYKCNOJG-GFCCVEGCSA-N 1 1 263.772 3.085 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000877710770 635159607 /nfs/dbraw/zinc/15/96/07/635159607.db2.gz RZJYGSDVYFBGPJ-ZBFHGGJFSA-N 1 1 264.413 3.350 20 30 CGEDMO C[C@H](C#N)CNN=C1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000841633518 635202442 /nfs/dbraw/zinc/20/24/42/635202442.db2.gz OSWBHCMXGRVRJM-RDTXWAMCSA-N 1 1 296.418 3.091 20 30 CGEDMO C[N@@H+](CCON=Cc1cccs1)Cc1ccccc1 ZINC000842016909 635255035 /nfs/dbraw/zinc/25/50/35/635255035.db2.gz ZLMKXVVBQRMNDP-UHFFFAOYSA-N 1 1 274.389 3.231 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@H+](C)[C@@H](C)C1CC1)c1ccccc1 ZINC000877930158 635275128 /nfs/dbraw/zinc/27/51/28/635275128.db2.gz XKCOXUNWMOCLOC-KBXCAEBGSA-N 1 1 284.403 3.157 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@H+](C)[C@@H](C)C(C)C)c1ccccc1 ZINC000877928802 635275348 /nfs/dbraw/zinc/27/53/48/635275348.db2.gz JIGQGBNEMINROC-MAUKXSAKSA-N 1 1 286.419 3.403 20 30 CGEDMO C=CC[C@@H](C)[N@@H+](C)CC(=O)Nc1cccc(C)c1C ZINC000877946803 635282946 /nfs/dbraw/zinc/28/29/46/635282946.db2.gz NUOUYTZZQXFRTF-CYBMUJFWSA-N 1 1 260.381 3.138 20 30 CGEDMO C=CC[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1SC ZINC000877947653 635283323 /nfs/dbraw/zinc/28/33/23/635283323.db2.gz QQHSFBMTMSTVES-LBPRGKRZSA-N 1 1 278.421 3.243 20 30 CGEDMO C=CC[C@H](C(=O)OC)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000877961507 635290099 /nfs/dbraw/zinc/29/00/99/635290099.db2.gz RQXNUGHPTPKKBA-CHWSQXEVSA-N 1 1 265.378 3.003 20 30 CGEDMO C=CC[C@H](C(=O)OC)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000877961507 635290107 /nfs/dbraw/zinc/29/01/07/635290107.db2.gz RQXNUGHPTPKKBA-CHWSQXEVSA-N 1 1 265.378 3.003 20 30 CGEDMO C[C@@H](C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1)c1ccccc1 ZINC000842147818 635296147 /nfs/dbraw/zinc/29/61/47/635296147.db2.gz JKAKXEXHVKRVHU-HNAYVOBHSA-N 1 1 294.398 3.327 20 30 CGEDMO C=C(Br)C[N@@H+]1CCSC[C@@H]1C1CCC1 ZINC000842171208 635305490 /nfs/dbraw/zinc/30/54/90/635305490.db2.gz PZWSLYPGWNCLCQ-LLVKDONJSA-N 1 1 276.243 3.113 20 30 CGEDMO C=C(Br)C[N@H+]1CCSC[C@@H]1C1CCC1 ZINC000842171208 635305497 /nfs/dbraw/zinc/30/54/97/635305497.db2.gz PZWSLYPGWNCLCQ-LLVKDONJSA-N 1 1 276.243 3.113 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)C[C@H]1CC2(CCC2)CO1 ZINC000878122436 635366794 /nfs/dbraw/zinc/36/67/94/635366794.db2.gz ZCGWEKQUOWIQIX-CQSZACIVSA-N 1 1 264.413 3.207 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@H]1CC2(CCC2)CO1 ZINC000878122436 635366800 /nfs/dbraw/zinc/36/68/00/635366800.db2.gz ZCGWEKQUOWIQIX-CQSZACIVSA-N 1 1 264.413 3.207 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878159907 635385038 /nfs/dbraw/zinc/38/50/38/635385038.db2.gz ZTPOKZCEFOCWGQ-HRCADAONSA-N 1 1 264.413 3.206 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878159907 635385043 /nfs/dbraw/zinc/38/50/43/635385043.db2.gz ZTPOKZCEFOCWGQ-HRCADAONSA-N 1 1 264.413 3.206 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000878166073 635390047 /nfs/dbraw/zinc/39/00/47/635390047.db2.gz KWEBOPHHMKVZKG-HOTGVXAUSA-N 1 1 286.419 3.093 20 30 CGEDMO N#CCC1(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)CC1 ZINC000878174161 635394624 /nfs/dbraw/zinc/39/46/24/635394624.db2.gz KOGHTJJDTYWUFH-ZIAGYGMSSA-N 1 1 290.432 3.330 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cn2cc(-c3ccccc3)cn2)C1 ZINC000842628383 635420651 /nfs/dbraw/zinc/42/06/51/635420651.db2.gz BNTRCCXZMLOLEF-MRXNPFEDSA-N 1 1 279.387 3.243 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCC[C@H](CCC(=O)OCC)C1 ZINC000878293419 635446858 /nfs/dbraw/zinc/44/68/58/635446858.db2.gz JDMCPWLEWSQJBL-ZIAGYGMSSA-N 1 1 253.386 3.006 20 30 CGEDMO C#CCCCCCC(=O)OC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000842828731 635484505 /nfs/dbraw/zinc/48/45/05/635484505.db2.gz CZPCPJZUCOMVAR-INIZCTEOSA-N 1 1 279.424 3.234 20 30 CGEDMO C#CCCCCC[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000878613995 635571939 /nfs/dbraw/zinc/57/19/39/635571939.db2.gz AZWQNSDZTKKSGN-QGZVFWFLSA-N 1 1 256.393 3.455 20 30 CGEDMO C#CCCCCC[N@H+](C)C[C@@](C)(O)c1ccccc1 ZINC000878728730 635617711 /nfs/dbraw/zinc/61/77/11/635617711.db2.gz QBTLDMMAVYEJKC-QGZVFWFLSA-N 1 1 259.393 3.020 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CCOCC3)CO2)C1 ZINC000878914433 635656200 /nfs/dbraw/zinc/65/62/00/635656200.db2.gz CUNBAMCWVCQPQW-IAGOWNOFSA-N 1 1 293.451 3.250 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)cc1 ZINC000843417954 635663419 /nfs/dbraw/zinc/66/34/19/635663419.db2.gz XOZCSUVAYMOGAO-ZWKOTPCHSA-N 1 1 269.388 3.059 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2ccc(Br)o2)C1 ZINC000843423347 635666133 /nfs/dbraw/zinc/66/61/33/635666133.db2.gz MLZSEGFBYJZEIW-LLVKDONJSA-N 1 1 282.181 3.277 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(Br)o2)C1 ZINC000843423347 635666140 /nfs/dbraw/zinc/66/61/40/635666140.db2.gz MLZSEGFBYJZEIW-LLVKDONJSA-N 1 1 282.181 3.277 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(C)cc2OC)C1 ZINC000843422386 635666801 /nfs/dbraw/zinc/66/68/01/635666801.db2.gz FAQNSOBWUHIFQU-HNNXBMFYSA-N 1 1 257.377 3.239 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000843423408 635667054 /nfs/dbraw/zinc/66/70/54/635667054.db2.gz CRMLJTNLYGEDDF-CQSZACIVSA-N 1 1 272.348 3.139 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2cccc3c2OCCCO3)C1 ZINC000843423942 635668777 /nfs/dbraw/zinc/66/87/77/635668777.db2.gz MCWBHBNSMIIRMO-OAHLLOKOSA-N 1 1 285.387 3.083 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cccc(OC)c2F)C1 ZINC000843424303 635668969 /nfs/dbraw/zinc/66/89/69/635668969.db2.gz YKWVHCHRJNQDKV-ZDUSSCGKSA-N 1 1 261.340 3.070 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2C[C@H](C)OC3(CCC3)C2)cc1 ZINC000843435800 635676231 /nfs/dbraw/zinc/67/62/31/635676231.db2.gz TVVNIDCCSUYFTI-INIZCTEOSA-N 1 1 299.414 3.232 20 30 CGEDMO C#CCCCCC[N@@H+]1C[C@@H](C)O[C@H](CC(F)(F)F)C1 ZINC000878998080 635676835 /nfs/dbraw/zinc/67/68/35/635676835.db2.gz NLFHPOJCONPILJ-CHWSQXEVSA-N 1 1 277.330 3.222 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H]1[C@H](O)c1ccccc1 ZINC000879243850 635732254 /nfs/dbraw/zinc/73/22/54/635732254.db2.gz MNMIWPSWLYHGGM-JKSUJKDBSA-N 1 1 272.392 3.124 20 30 CGEDMO C#CCCC[N@H+](Cc1ccc(OC)cc1)[C@H](C)CCCO ZINC000879287458 635746777 /nfs/dbraw/zinc/74/67/77/635746777.db2.gz IPAGEHTYVDLJLH-MRXNPFEDSA-N 1 1 289.419 3.072 20 30 CGEDMO C[N@@H+](C[C@@H]1CC(C)(C)OC1(C)C)[C@@H]1CCC[C@@H]1C#N ZINC000879310543 635752180 /nfs/dbraw/zinc/75/21/80/635752180.db2.gz VMSOIDAKZCMEGL-HZSPNIEDSA-N 1 1 264.413 3.204 20 30 CGEDMO C[N@H+](C[C@@H](O)c1cc2ccccc2o1)[C@@H]1CCC[C@@H]1C#N ZINC000879310493 635752722 /nfs/dbraw/zinc/75/27/22/635752722.db2.gz UDXDALCBWCDCPJ-RBSFLKMASA-N 1 1 284.359 3.090 20 30 CGEDMO C[N@@H+](C[C@@H](O)c1cc2ccccc2o1)[C@@H]1CCC[C@@H]1C#N ZINC000879310493 635752726 /nfs/dbraw/zinc/75/27/26/635752726.db2.gz UDXDALCBWCDCPJ-RBSFLKMASA-N 1 1 284.359 3.090 20 30 CGEDMO C#CCCCCC[N@@H+]1CCO[C@@H](c2ccccc2OC)C1 ZINC000879629295 635822709 /nfs/dbraw/zinc/82/27/09/635822709.db2.gz LBOBYOUOXGNMFG-GOSISDBHSA-N 1 1 287.403 3.262 20 30 CGEDMO C#CCCCCC[N@H+]1CCO[C@@H](c2ccccc2OC)C1 ZINC000879629295 635822712 /nfs/dbraw/zinc/82/27/12/635822712.db2.gz LBOBYOUOXGNMFG-GOSISDBHSA-N 1 1 287.403 3.262 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000844372887 635883674 /nfs/dbraw/zinc/88/36/74/635883674.db2.gz ANYZSMJTRPKAEZ-INIZCTEOSA-N 1 1 277.795 3.037 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCc2ccc(Cl)cc2[C@H](C)C1 ZINC000844394876 635889467 /nfs/dbraw/zinc/88/94/67/635889467.db2.gz AAJNYPBGFCSHIH-CHWSQXEVSA-N 1 1 292.810 3.230 20 30 CGEDMO N#CCC[C@@H](C#N)C[N@H+]1CC[C@]2(CCc3ccccc32)C1 ZINC000879994253 635891947 /nfs/dbraw/zinc/89/19/47/635891947.db2.gz AJTCXLGSFMIUJC-MAUKXSAKSA-N 1 1 279.387 3.020 20 30 CGEDMO C[C@@]1(C(F)(F)F)CC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000880000801 635895344 /nfs/dbraw/zinc/89/53/44/635895344.db2.gz NSGRWOKBJWLTHQ-CQSZACIVSA-N 1 1 298.308 3.211 20 30 CGEDMO C=CC[C@H]1CCC(=[NH+]n2cc(Br)cn2)C1 ZINC000844588887 635937396 /nfs/dbraw/zinc/93/73/96/635937396.db2.gz HYWPFXANBALIPO-VIFPVBQESA-N 1 1 268.158 3.226 20 30 CGEDMO CCCC(N)=[NH+]OCc1ccc(Cl)c2cccnc12 ZINC000105605977 635959654 /nfs/dbraw/zinc/95/96/54/635959654.db2.gz YDTUJCXGKILTTF-UHFFFAOYSA-N 1 1 277.755 3.477 20 30 CGEDMO COc1ccc2[nH]c3c(c2c1)CC[N@H+](CCCCC#N)C3 ZINC000880368862 635983013 /nfs/dbraw/zinc/98/30/13/635983013.db2.gz IOGFVPWGWFDHPK-UHFFFAOYSA-N 1 1 283.375 3.228 20 30 CGEDMO COc1ccc2[nH]c3c(c2c1)CC[N@@H+](CCCCC#N)C3 ZINC000880368862 635983014 /nfs/dbraw/zinc/98/30/14/635983014.db2.gz IOGFVPWGWFDHPK-UHFFFAOYSA-N 1 1 283.375 3.228 20 30 CGEDMO C[C@@]1(c2ccccc2)CCC[N@H+]1Cc1ccncc1C#N ZINC000880371488 635984554 /nfs/dbraw/zinc/98/45/54/635984554.db2.gz IZNMTUWEBBMTMH-SFHVURJKSA-N 1 1 277.371 3.464 20 30 CGEDMO C=CCCC[C@@H]([NH2+]Cc1nncn1C)c1ccccc1 ZINC000880389404 635992090 /nfs/dbraw/zinc/99/20/90/635992090.db2.gz STCPVHNLBNAWED-OAHLLOKOSA-N 1 1 270.380 3.002 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2Cc3ccccc3N3CCC[C@@H]3C2)o1 ZINC000880553853 636020515 /nfs/dbraw/zinc/02/05/15/636020515.db2.gz VTPFETKEOLHKRI-OAHLLOKOSA-N 1 1 293.370 3.136 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000880579635 636026655 /nfs/dbraw/zinc/02/66/55/636026655.db2.gz XZIGTDCCZLZUNH-INIZCTEOSA-N 1 1 278.440 3.455 20 30 CGEDMO CC(C)C[N@H+](CCC#N)Cc1ccc(F)c(F)c1 ZINC000105931426 636042101 /nfs/dbraw/zinc/04/21/01/636042101.db2.gz CNWLHQLGJKTSDZ-UHFFFAOYSA-N 1 1 252.308 3.336 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc(F)c(F)c1 ZINC000105931426 636042104 /nfs/dbraw/zinc/04/21/04/636042104.db2.gz CNWLHQLGJKTSDZ-UHFFFAOYSA-N 1 1 252.308 3.336 20 30 CGEDMO C=C(C)C(C)(C)C(=O)OC[C@H]1CC[N@H+]1C(C)(C)C ZINC000845730568 636087933 /nfs/dbraw/zinc/08/79/33/636087933.db2.gz ONSNLKVZOXVSHM-GFCCVEGCSA-N 1 1 253.386 3.005 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@H](OC(C)C)C2)cc1 ZINC000846013907 636130006 /nfs/dbraw/zinc/13/00/06/636130006.db2.gz FNKWBINHVVEQON-SFHVURJKSA-N 1 1 287.403 3.088 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)ccc1C#N ZINC000846105976 636144301 /nfs/dbraw/zinc/14/43/01/636144301.db2.gz ZUPQBCXYUOLMAG-HNNXBMFYSA-N 1 1 292.329 3.188 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC1(Br)CC1 ZINC000847004700 636307899 /nfs/dbraw/zinc/30/78/99/636307899.db2.gz SISBVKMDNCLCMU-NSHDSACASA-N 1 1 293.208 3.479 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000847020296 636312460 /nfs/dbraw/zinc/31/24/60/636312460.db2.gz ARHCKLKOBCPQGN-KBPBESRZSA-N 1 1 272.348 3.309 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc3ccccc32)C1 ZINC000847028465 636318508 /nfs/dbraw/zinc/31/85/08/636318508.db2.gz YSWXEUAPTRPKRE-OAHLLOKOSA-N 1 1 292.382 3.124 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](CC(=O)Nc2cccc3ccccc32)C1 ZINC000847028465 636318513 /nfs/dbraw/zinc/31/85/13/636318513.db2.gz YSWXEUAPTRPKRE-OAHLLOKOSA-N 1 1 292.382 3.124 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](CC(=O)Nc2c(CC)cccc2CC)C1 ZINC000847028740 636318701 /nfs/dbraw/zinc/31/87/01/636318701.db2.gz KMROPEPYMMLXAX-OAHLLOKOSA-N 1 1 298.430 3.095 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](CC(=O)Nc2c(CC)cccc2CC)C1 ZINC000847028740 636318703 /nfs/dbraw/zinc/31/87/03/636318703.db2.gz KMROPEPYMMLXAX-OAHLLOKOSA-N 1 1 298.430 3.095 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000847031251 636319246 /nfs/dbraw/zinc/31/92/46/636319246.db2.gz SUKCCUGCNLNYEF-CYBMUJFWSA-N 1 1 284.334 3.326 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000847031251 636319250 /nfs/dbraw/zinc/31/92/50/636319250.db2.gz SUKCCUGCNLNYEF-CYBMUJFWSA-N 1 1 284.334 3.326 20 30 CGEDMO N#Cc1ccc(C2([NH2+]Cc3cnc(Cl)cn3)CCC2)cc1 ZINC000847056673 636324397 /nfs/dbraw/zinc/32/43/97/636324397.db2.gz FVLKGCWGCUIRFJ-UHFFFAOYSA-N 1 1 298.777 3.171 20 30 CGEDMO C=CCC[C@H]([NH2+]Cc1cn[nH]c1C)[C@H]1Cc2ccccc2O1 ZINC000883205096 636584609 /nfs/dbraw/zinc/58/46/09/636584609.db2.gz ONZNJCFPVPWUBU-FUHWJXTLSA-N 1 1 297.402 3.146 20 30 CGEDMO C=CCC[C@H]([NH2+]Cc1cn[nH]c1C)[C@@H]1Cc2ccccc2O1 ZINC000883205098 636584925 /nfs/dbraw/zinc/58/49/25/636584925.db2.gz ONZNJCFPVPWUBU-WMZOPIPTSA-N 1 1 297.402 3.146 20 30 CGEDMO C=CCC[C@@H]([NH2+]C1CC(N2CCCCC2)C1)[C@H]1CCCO1 ZINC000883220161 636594799 /nfs/dbraw/zinc/59/47/99/636594799.db2.gz FKZDLXKRTGZYHJ-OPQOLIRYSA-N 1 1 292.467 3.107 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000848923281 636693947 /nfs/dbraw/zinc/69/39/47/636693947.db2.gz HYIFYGRXHAUCQF-QGZVFWFLSA-N 1 1 293.414 3.334 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000848923758 636695779 /nfs/dbraw/zinc/69/57/79/636695779.db2.gz PMPTVRYIHOHAGZ-CYBMUJFWSA-N 1 1 283.350 3.061 20 30 CGEDMO CSC[C@H]1CCC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000135441460 637132759 /nfs/dbraw/zinc/13/27/59/637132759.db2.gz UJQHRIARQDIZFC-OAHLLOKOSA-N 1 1 290.432 3.155 20 30 CGEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@H]2C2CCCC2)CCC1 ZINC000885963961 637334918 /nfs/dbraw/zinc/33/49/18/637334918.db2.gz UATQNHZWCAWHBK-HOTGVXAUSA-N 1 1 276.424 3.086 20 30 CGEDMO N#Cc1cccc([C@@H]2C[N@H+](CC[C@@H]3C[C@H]3C3CC3)CCO2)c1 ZINC000886098646 637408080 /nfs/dbraw/zinc/40/80/80/637408080.db2.gz OXGLZGUMXKFOHL-NEWSRXKRSA-N 1 1 296.414 3.368 20 30 CGEDMO N#Cc1cccc([C@@H]2C[N@@H+](CC[C@@H]3C[C@H]3C3CC3)CCO2)c1 ZINC000886098646 637408086 /nfs/dbraw/zinc/40/80/86/637408086.db2.gz OXGLZGUMXKFOHL-NEWSRXKRSA-N 1 1 296.414 3.368 20 30 CGEDMO C[C@H](COCc1ccccc1)C[N@@H+](C)CC(C)(C)C#N ZINC000886217650 637462164 /nfs/dbraw/zinc/46/21/64/637462164.db2.gz FAKQTAORIVZDER-HNNXBMFYSA-N 1 1 274.408 3.321 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@@H]1CC[C@H](OC)C1 ZINC000851733273 637482421 /nfs/dbraw/zinc/48/24/21/637482421.db2.gz PPROAUUDORAECT-WBVHZDCISA-N 1 1 275.392 3.251 20 30 CGEDMO C[C@@]1(c2ccccc2)CCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886318190 637498248 /nfs/dbraw/zinc/49/82/48/637498248.db2.gz MDTOWBGWJBZBGM-MSOLQXFVSA-N 1 1 298.430 3.442 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2nc(-c3ccccc3)oc2C)C1 ZINC000886353656 637509610 /nfs/dbraw/zinc/50/96/10/637509610.db2.gz MYXIDSBXXCXNIW-HNNXBMFYSA-N 1 1 280.371 3.495 20 30 CGEDMO C#CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000886355717 637510459 /nfs/dbraw/zinc/51/04/59/637510459.db2.gz MPQHXXMUOSWZSM-JKSUJKDBSA-N 1 1 298.430 3.482 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000886355243 637510806 /nfs/dbraw/zinc/51/08/06/637510806.db2.gz FGWDIBUKIBFKAY-CYBMUJFWSA-N 1 1 290.794 3.014 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000886362527 637514059 /nfs/dbraw/zinc/51/40/59/637514059.db2.gz BIBLCIRGTYJXBL-HNNXBMFYSA-N 1 1 293.370 3.114 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000886362528 637514295 /nfs/dbraw/zinc/51/42/95/637514295.db2.gz BIBLCIRGTYJXBL-OAHLLOKOSA-N 1 1 293.370 3.114 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2nc3c(cccc3F)n2CC)C1 ZINC000886362548 637514683 /nfs/dbraw/zinc/51/46/83/637514683.db2.gz BVOBQYFNZJQAAS-CYBMUJFWSA-N 1 1 285.366 3.041 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](CCc2nsc3ccccc32)C1 ZINC000886365448 637516092 /nfs/dbraw/zinc/51/60/92/637516092.db2.gz IPLDACUZRPZWAI-CYBMUJFWSA-N 1 1 270.401 3.184 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC000886366085 637516232 /nfs/dbraw/zinc/51/62/32/637516232.db2.gz WXDUNUYOIZRVPW-JTQLQIEISA-N 1 1 257.255 3.144 20 30 CGEDMO Cc1ccccc1[C@@H](CO)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000886433764 637530192 /nfs/dbraw/zinc/53/01/92/637530192.db2.gz TXYFAIUIVSRXDR-GOSISDBHSA-N 1 1 298.361 3.171 20 30 CGEDMO C#C[C@](C)(CC)[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000852098947 637592595 /nfs/dbraw/zinc/59/25/95/637592595.db2.gz ZSOPRSVTYNSWLK-MRXNPFEDSA-N 1 1 254.333 3.233 20 30 CGEDMO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1c(O)cccc1F ZINC000886617102 637608323 /nfs/dbraw/zinc/60/83/23/637608323.db2.gz DQPGVBRPELOQEZ-SRVKXCTJSA-N 1 1 262.328 3.264 20 30 CGEDMO N#C[C@H]1CC[C@@H]([N@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)C1 ZINC000886617039 637608390 /nfs/dbraw/zinc/60/83/90/637608390.db2.gz BYZOPAXPUPQDOE-RVMXOQNASA-N 1 1 272.314 3.343 20 30 CGEDMO CC(C)(C#N)CCC[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852329155 637636767 /nfs/dbraw/zinc/63/67/67/637636767.db2.gz UYLFJSLDZASUCC-SFHVURJKSA-N 1 1 296.418 3.269 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852329155 637636769 /nfs/dbraw/zinc/63/67/69/637636769.db2.gz UYLFJSLDZASUCC-SFHVURJKSA-N 1 1 296.418 3.269 20 30 CGEDMO CCCCC[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852328665 637636944 /nfs/dbraw/zinc/63/69/44/637636944.db2.gz KINOBHSGYHKXPX-INIZCTEOSA-N 1 1 257.381 3.129 20 30 CGEDMO CCCCC[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852328665 637636947 /nfs/dbraw/zinc/63/69/47/637636947.db2.gz KINOBHSGYHKXPX-INIZCTEOSA-N 1 1 257.381 3.129 20 30 CGEDMO CC(C)c1ccc2c(c1)C[N@H+](CCO[C@@H](C)C#N)CC2 ZINC000852406220 637647506 /nfs/dbraw/zinc/64/75/06/637647506.db2.gz IRCYGDRBJSKIML-AWEZNQCLSA-N 1 1 272.392 3.097 20 30 CGEDMO C=CCC1(O)CC[NH+]([C@@H](C)c2c(F)cccc2F)CC1 ZINC000886761580 637679087 /nfs/dbraw/zinc/67/90/87/637679087.db2.gz GXOLTZIAZJQDCV-LBPRGKRZSA-N 1 1 281.346 3.429 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000852685910 637695145 /nfs/dbraw/zinc/69/51/45/637695145.db2.gz MHPGKXCICAEGCG-IXDOHACOSA-N 1 1 298.386 3.195 20 30 CGEDMO C#CCC[N@H+](CCOC)C[C@H](OC(C)C)c1ccccc1 ZINC000852748518 637704503 /nfs/dbraw/zinc/70/45/03/637704503.db2.gz CBWHPLFYFAKFLW-SFHVURJKSA-N 1 1 289.419 3.124 20 30 CGEDMO C#Cc1cccnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000853331977 637813246 /nfs/dbraw/zinc/81/32/46/637813246.db2.gz BMFKTPZDMXVZFL-IAGOWNOFSA-N 1 1 297.446 3.154 20 30 CGEDMO CC(=[NH+]OCC1CCC1)c1ccc(N)cc1Cl ZINC000853439149 637842826 /nfs/dbraw/zinc/84/28/26/637842826.db2.gz CXMMTOYNSKKXGR-UHFFFAOYSA-N 1 1 252.745 3.463 20 30 CGEDMO C=CCCONC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000856031156 638287166 /nfs/dbraw/zinc/28/71/66/638287166.db2.gz FRMVFLAQIFPMFH-UHFFFAOYSA-N 1 1 290.407 3.154 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)Cc1cn(C)nc1Cl ZINC000857013524 638426340 /nfs/dbraw/zinc/42/63/40/638426340.db2.gz UGLPTCLIIJFISQ-UHFFFAOYSA-N 1 1 289.810 3.304 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1cn(C)nc1Cl ZINC000857013524 638426345 /nfs/dbraw/zinc/42/63/45/638426345.db2.gz UGLPTCLIIJFISQ-UHFFFAOYSA-N 1 1 289.810 3.304 20 30 CGEDMO C=CCC[C@H]([NH2+][C@@H](C)c1cnn(C)n1)c1ccccc1 ZINC000925579536 638535803 /nfs/dbraw/zinc/53/58/03/638535803.db2.gz MAIZXNRVQATTSI-ZFWWWQNUSA-N 1 1 270.380 3.173 20 30 CGEDMO CC[C@H](NC[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(C#N)cc1 ZINC000925839563 638628056 /nfs/dbraw/zinc/62/80/56/638628056.db2.gz HMAZOHUOPYUDHC-RCCFBDPRSA-N 1 1 283.419 3.131 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1ccc(OC)c(OC2CC2)c1 ZINC000858140693 638640492 /nfs/dbraw/zinc/64/04/92/638640492.db2.gz HGOPOKIQLAPNEF-UHFFFAOYSA-N 1 1 267.756 3.079 20 30 CGEDMO C#CCOc1ccc(C[NH2+][C@H]2CCCc3scnc32)cc1 ZINC000858424171 638712823 /nfs/dbraw/zinc/71/28/23/638712823.db2.gz VFWBVEKHGMPFQY-HNNXBMFYSA-N 1 1 298.411 3.322 20 30 CGEDMO C=CCCCCCCNC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000858457177 638724934 /nfs/dbraw/zinc/72/49/34/638724934.db2.gz OCRXZPBAQRYHNC-MRXNPFEDSA-N 1 1 295.471 3.154 20 30 CGEDMO COCCc1cc[nH+]c(N[C@@H](C)CC(C)(C)C#N)c1 ZINC000926408001 638768441 /nfs/dbraw/zinc/76/84/41/638768441.db2.gz GOLDDISMSXBDDO-LBPRGKRZSA-N 1 1 261.369 3.011 20 30 CGEDMO CCOC(=O)[C@@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000929127628 638900922 /nfs/dbraw/zinc/90/09/22/638900922.db2.gz BLZOOTSIVHRGPA-OAHLLOKOSA-N 1 1 292.423 3.126 20 30 CGEDMO CCC[N@@H+](C/C=C(\C)COC)Cc1ccc(C#N)cc1 ZINC000929270601 638913703 /nfs/dbraw/zinc/91/37/03/638913703.db2.gz QPZPWMVUWPDRQB-OQLLNIDSSA-N 1 1 272.392 3.363 20 30 CGEDMO CC[N@@H+](CCCCC1(C#N)CCC1)C[C@@H]1CCOC1 ZINC000929287902 638915618 /nfs/dbraw/zinc/91/56/18/638915618.db2.gz PNZWVUSHQBFTJG-HNNXBMFYSA-N 1 1 264.413 3.209 20 30 CGEDMO Cc1ccccc1[C@@H](C)[N@@H+](C)Cc1cncc(C#N)c1 ZINC000929325737 638918530 /nfs/dbraw/zinc/91/85/30/638918530.db2.gz KXWMLMLPXGDUIH-CQSZACIVSA-N 1 1 265.360 3.455 20 30 CGEDMO Cc1cn(C)nc1C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000929380073 638922895 /nfs/dbraw/zinc/92/28/95/638922895.db2.gz LLYWBDORHNDZRA-UHFFFAOYSA-N 1 1 282.391 3.011 20 30 CGEDMO Cc1cn(C)nc1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000929380073 638922897 /nfs/dbraw/zinc/92/28/97/638922897.db2.gz LLYWBDORHNDZRA-UHFFFAOYSA-N 1 1 282.391 3.011 20 30 CGEDMO N#CC1CC[NH+](Cc2cnc(-c3ccccc3)o2)CC1 ZINC000929416261 638924257 /nfs/dbraw/zinc/92/42/57/638924257.db2.gz HWLKJNUGXHTBQJ-UHFFFAOYSA-N 1 1 267.332 3.077 20 30 CGEDMO COc1cc(C[N@@H+](C)CC2CCC(C#N)CC2)ccc1O ZINC000929526622 638930302 /nfs/dbraw/zinc/93/03/02/638930302.db2.gz URCFYJRUINNVKH-UHFFFAOYSA-N 1 1 288.391 3.163 20 30 CGEDMO Cc1cccc([C@H]2CCCCC[N@H+]2C[C@H](O)CC#N)c1 ZINC000929672099 638939480 /nfs/dbraw/zinc/93/94/80/638939480.db2.gz HSAALBPKIVOGNW-IAGOWNOFSA-N 1 1 272.392 3.187 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000929688369 638941542 /nfs/dbraw/zinc/94/15/42/638941542.db2.gz PAZBRTZWVZEWRR-CLLJXQQHSA-N 1 1 256.340 3.149 20 30 CGEDMO Cc1cccc([C@H]2CCCC[N@H+]2C[C@H](O)CC#N)c1C ZINC000929750711 638946836 /nfs/dbraw/zinc/94/68/36/638946836.db2.gz UTWPNMAIWXHGNX-NVXWUHKLSA-N 1 1 272.392 3.105 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)c1 ZINC000930040209 638970418 /nfs/dbraw/zinc/97/04/18/638970418.db2.gz RTDZNHYVFZSSGE-GOSISDBHSA-N 1 1 292.386 3.030 20 30 CGEDMO C[C@H](c1ccccn1)[N@@H+](C)CC1CCC(C#N)CC1 ZINC000930118334 638975764 /nfs/dbraw/zinc/97/57/64/638975764.db2.gz CVLJKMIBPDRXNW-WLYUNCDWSA-N 1 1 257.381 3.404 20 30 CGEDMO C[C@@]1(CCCO)CCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000930159556 638978432 /nfs/dbraw/zinc/97/84/32/638978432.db2.gz VTRLAPQYJXEMHT-INIZCTEOSA-N 1 1 278.440 3.478 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000930378195 638993853 /nfs/dbraw/zinc/99/38/53/638993853.db2.gz ZLIICWSUWOPKSN-GOSISDBHSA-N 1 1 284.403 3.178 20 30 CGEDMO COC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000930676201 639051832 /nfs/dbraw/zinc/05/18/32/639051832.db2.gz LWSDFIKUJOOLFX-ZDUSSCGKSA-N 1 1 292.810 3.460 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)c1 ZINC000930748258 639062907 /nfs/dbraw/zinc/06/29/07/639062907.db2.gz JADNUFOIFNLBCL-NSHDSACASA-N 1 1 283.297 3.118 20 30 CGEDMO N#Cc1cncc(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)c1 ZINC000930748258 639062910 /nfs/dbraw/zinc/06/29/10/639062910.db2.gz JADNUFOIFNLBCL-NSHDSACASA-N 1 1 283.297 3.118 20 30 CGEDMO N#CC1(CCCC[N@@H+]2CC[C@@H](O)CC23CCC3)CCC1 ZINC000930753437 639064789 /nfs/dbraw/zinc/06/47/89/639064789.db2.gz DKIXXWHDEQDOEO-OAHLLOKOSA-N 1 1 276.424 3.230 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1CF)[C@H](C)COC ZINC000930932728 639088525 /nfs/dbraw/zinc/08/85/25/639088525.db2.gz MVKMBKZYVQZIHI-CYBMUJFWSA-N 1 1 251.345 3.179 20 30 CGEDMO C=CC[N@@H+](C[C@H](O)CC[C@H](O)c1ccccc1)C(C)(C)C ZINC000931017211 639098096 /nfs/dbraw/zinc/09/80/96/639098096.db2.gz NVFFPMICRSABMI-SJORKVTESA-N 1 1 291.435 3.148 20 30 CGEDMO C=CC[N@H+](CCSc1ccncc1)C(C)(C)C ZINC000931016283 639098832 /nfs/dbraw/zinc/09/88/32/639098832.db2.gz BAJFSJLRPQQBBU-UHFFFAOYSA-N 1 1 250.411 3.460 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](C[C@@H]2CCC3(CCCCCC3)O2)C1 ZINC000931062922 639106179 /nfs/dbraw/zinc/10/61/79/639106179.db2.gz NEMACHGXATUVNC-JKSUJKDBSA-N 1 1 276.424 3.494 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](C[C@@H]2CCC3(CCCCCC3)O2)C1 ZINC000931062922 639106180 /nfs/dbraw/zinc/10/61/80/639106180.db2.gz NEMACHGXATUVNC-JKSUJKDBSA-N 1 1 276.424 3.494 20 30 CGEDMO C#CCC[N@@H+](CCOC)Cc1nc(C)c(C(C)(C)C)s1 ZINC000931070683 639106941 /nfs/dbraw/zinc/10/69/41/639106941.db2.gz IDXBMHQWDIRNDA-UHFFFAOYSA-N 1 1 294.464 3.221 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1nc(C)c(C(C)(C)C)s1 ZINC000931070683 639106943 /nfs/dbraw/zinc/10/69/43/639106943.db2.gz IDXBMHQWDIRNDA-UHFFFAOYSA-N 1 1 294.464 3.221 20 30 CGEDMO N#CC1CCC(C[N@@H+]2Cc3ccc(O)cc3C2)CC1 ZINC000931165744 639120363 /nfs/dbraw/zinc/12/03/63/639120363.db2.gz OWOPHVFWUWCEEL-UHFFFAOYSA-N 1 1 256.349 3.038 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cccc(Br)n2)C1 ZINC000859445599 639143141 /nfs/dbraw/zinc/14/31/41/639143141.db2.gz LNTWTXHQHBHPQT-NSHDSACASA-N 1 1 281.197 3.242 20 30 CGEDMO C=C(Br)C[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000859561528 639162566 /nfs/dbraw/zinc/16/25/66/639162566.db2.gz GAJPTSIITILRMH-ZDUSSCGKSA-N 1 1 281.197 3.421 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCc2nc[nH]c2C12CCC2 ZINC000931679992 639187211 /nfs/dbraw/zinc/18/72/11/639187211.db2.gz JSSSZEVWOHKSLW-UHFFFAOYSA-N 1 1 292.386 3.027 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCc2nc[nH]c2C12CCC2 ZINC000931679992 639187218 /nfs/dbraw/zinc/18/72/18/639187218.db2.gz JSSSZEVWOHKSLW-UHFFFAOYSA-N 1 1 292.386 3.027 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2c(C)cc(C#N)cc2C)C1 ZINC000931715514 639195466 /nfs/dbraw/zinc/19/54/66/639195466.db2.gz WNKDFFPCFPNWSK-OAHLLOKOSA-N 1 1 252.361 3.020 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cnc(N(C)C)c3ccccc23)C1 ZINC000931715381 639195479 /nfs/dbraw/zinc/19/54/79/639195479.db2.gz VIAJMEZHDOTYKU-HNNXBMFYSA-N 1 1 293.414 3.146 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931910749 639225299 /nfs/dbraw/zinc/22/52/99/639225299.db2.gz SGYYAFLPHAWLAZ-NXEZZACHSA-N 1 1 251.267 3.317 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000931950774 639242244 /nfs/dbraw/zinc/24/22/44/639242244.db2.gz MUYLVRSBJAXORR-CQSZACIVSA-N 1 1 272.392 3.067 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000931950774 639242263 /nfs/dbraw/zinc/24/22/63/639242263.db2.gz MUYLVRSBJAXORR-CQSZACIVSA-N 1 1 272.392 3.067 20 30 CGEDMO CC(C)O[C@H](C[N@@H+]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000932155140 639278319 /nfs/dbraw/zinc/27/83/19/639278319.db2.gz XDLFCYZHZAWMRA-NVXWUHKLSA-N 1 1 272.392 3.388 20 30 CGEDMO CC(C)O[C@H](C[N@H+]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000932155140 639278324 /nfs/dbraw/zinc/27/83/24/639278324.db2.gz XDLFCYZHZAWMRA-NVXWUHKLSA-N 1 1 272.392 3.388 20 30 CGEDMO CC(C)(C)OC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000932171879 639286104 /nfs/dbraw/zinc/28/61/04/639286104.db2.gz JLGZMQXRDVDNHK-HNNXBMFYSA-N 1 1 290.382 3.477 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](Cc3nccs3)C2)C1 ZINC000932200582 639296420 /nfs/dbraw/zinc/29/64/20/639296420.db2.gz GMDRTICTPHHNTL-MGPQQGTHSA-N 1 1 275.421 3.090 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@@H]1c1ccnn1C ZINC000932260615 639301741 /nfs/dbraw/zinc/30/17/41/639301741.db2.gz GIERMIDDQDXTAI-MRXNPFEDSA-N 1 1 259.397 3.141 20 30 CGEDMO C#CC[N@@H+](CC1CCN(C(=O)C(C)(C)C)CC1)C(C)(C)C ZINC000932463686 639337925 /nfs/dbraw/zinc/33/79/25/639337925.db2.gz LHMFJYGNCAWMOR-UHFFFAOYSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000932698604 639374745 /nfs/dbraw/zinc/37/47/45/639374745.db2.gz HVXFGUQFFMJWSP-CQSZACIVSA-N 1 1 282.428 3.189 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](C3CCOCC3)C2)c1 ZINC000933083818 639414132 /nfs/dbraw/zinc/41/41/32/639414132.db2.gz ZERDXBFLNPUXOM-GOSISDBHSA-N 1 1 284.403 3.197 20 30 CGEDMO Cc1csc(C[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)n1 ZINC000933129243 639422534 /nfs/dbraw/zinc/42/25/34/639422534.db2.gz KAZMDLVODZZWPY-AWEZNQCLSA-N 1 1 297.427 3.388 20 30 CGEDMO C#CC[N@H+](Cc1ccno1)[C@H]1CCCc2ccccc21 ZINC000933418542 639448961 /nfs/dbraw/zinc/44/89/61/639448961.db2.gz LQSXFGWDMXZOGM-KRWDZBQOSA-N 1 1 266.344 3.187 20 30 CGEDMO C#CC[N@@H+](Cc1ccno1)[C@H]1CCCc2ccccc21 ZINC000933418542 639448964 /nfs/dbraw/zinc/44/89/64/639448964.db2.gz LQSXFGWDMXZOGM-KRWDZBQOSA-N 1 1 266.344 3.187 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933708839 639480956 /nfs/dbraw/zinc/48/09/56/639480956.db2.gz BBFFELDYAUBHAR-WDEREUQCSA-N 1 1 285.313 3.249 20 30 CGEDMO Cc1cccc(C)c1C[N@H+](C)C[C@@H](C#N)CCC#N ZINC000933766763 639487692 /nfs/dbraw/zinc/48/76/92/639487692.db2.gz DAMMPUFRCYGRLR-OAHLLOKOSA-N 1 1 255.365 3.179 20 30 CGEDMO Cc1cccc(C)c1C[N@@H+](C)C[C@@H](C#N)CCC#N ZINC000933766763 639487695 /nfs/dbraw/zinc/48/76/95/639487695.db2.gz DAMMPUFRCYGRLR-OAHLLOKOSA-N 1 1 255.365 3.179 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CC[C@@H](Cc3nccs3)C2)cc1 ZINC000934331765 639586312 /nfs/dbraw/zinc/58/63/12/639586312.db2.gz OKGLNWAANHPRQB-INIZCTEOSA-N 1 1 297.427 3.122 20 30 CGEDMO C=C(Br)C[NH2+][C@H](C)c1cnn(CC2CCC2)c1 ZINC000934557605 639631631 /nfs/dbraw/zinc/63/16/31/639631631.db2.gz XIEYYDNWVJNLIK-LLVKDONJSA-N 1 1 298.228 3.242 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000934831433 639682656 /nfs/dbraw/zinc/68/26/56/639682656.db2.gz IOXAHKDAZLYQGQ-ROUUACIJSA-N 1 1 284.403 3.197 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000934873977 639693576 /nfs/dbraw/zinc/69/35/76/639693576.db2.gz ICQLWDSODMUBAY-SJORKVTESA-N 1 1 299.418 3.468 20 30 CGEDMO C=C(C)c1cccc(NC(=O)NC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000934880164 639697057 /nfs/dbraw/zinc/69/70/57/639697057.db2.gz VLVKXICCTKVGHO-AWEZNQCLSA-N 1 1 287.407 3.183 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(-n2ccnc2)cc1)C1CCCC1 ZINC000155763936 639948167 /nfs/dbraw/zinc/94/81/67/639948167.db2.gz NXMVCXJNZTZZJD-UHFFFAOYSA-N 1 1 279.387 3.250 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000157684630 639992363 /nfs/dbraw/zinc/99/23/63/639992363.db2.gz IELXCZUSFXXPRT-KGLIPLIRSA-N 1 1 258.365 3.209 20 30 CGEDMO C[C@H](C/N=C/c1ccccc1O)[N@H+]1CCc2ccccc2C1 ZINC000075580915 640145133 /nfs/dbraw/zinc/14/51/33/640145133.db2.gz IHQXCEVINDQPSR-OOWUWCJESA-N 1 1 294.398 3.258 20 30 CGEDMO C#CC[N@@H+](Cc1nc(-c2ccccc2F)no1)C1CCCC1 ZINC000189079262 640164323 /nfs/dbraw/zinc/16/43/23/640164323.db2.gz MALCSXUMIVUAAK-UHFFFAOYSA-N 1 1 299.349 3.254 20 30 CGEDMO C#CC[N@H+](Cc1nc(-c2ccccc2F)no1)C1CCCC1 ZINC000189079262 640164331 /nfs/dbraw/zinc/16/43/31/640164331.db2.gz MALCSXUMIVUAAK-UHFFFAOYSA-N 1 1 299.349 3.254 20 30 CGEDMO C=CCCC[N@H+](C)Cn1cc(-c2ccccc2)cn1 ZINC000076664808 640208123 /nfs/dbraw/zinc/20/81/23/640208123.db2.gz QXTUNHGNYOZVEZ-UHFFFAOYSA-N 1 1 255.365 3.406 20 30 CGEDMO C#CCCCC(=O)OC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000191217166 640296637 /nfs/dbraw/zinc/29/66/37/640296637.db2.gz ZWMUPYNOWZAFLQ-GOSISDBHSA-N 1 1 299.414 3.245 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC3(CCCC3)C2)cc1F ZINC000192048407 640346977 /nfs/dbraw/zinc/34/69/77/640346977.db2.gz GQGNLNVSMBHXGE-UHFFFAOYSA-N 1 1 258.340 3.463 20 30 CGEDMO C#CC[N@H+](C)[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000192222881 640359918 /nfs/dbraw/zinc/35/99/18/640359918.db2.gz OBGGWUWQJMVLIY-SNVBAGLBSA-N 1 1 257.255 3.211 20 30 CGEDMO CC[N@@H+](Cc1cc(Cl)ccc1O)C[C@H](C)C#N ZINC000091983102 640727825 /nfs/dbraw/zinc/72/78/25/640727825.db2.gz NRKXMVCHANXNMM-SNVBAGLBSA-N 1 1 252.745 3.027 20 30 CGEDMO CC[N@H+](Cc1cc(Cl)ccc1O)C[C@H](C)C#N ZINC000091983102 640727829 /nfs/dbraw/zinc/72/78/29/640727829.db2.gz NRKXMVCHANXNMM-SNVBAGLBSA-N 1 1 252.745 3.027 20 30 CGEDMO CC[C@H](C)c1ccc(NC(=[NH2+])NCCN(CC)CC)cc1 ZINC000303706855 640839356 /nfs/dbraw/zinc/83/93/56/640839356.db2.gz LYVWJDFZNMWCBL-AWEZNQCLSA-N 1 1 290.455 3.269 20 30 CGEDMO CC[C@@H](C)N(C)CCNC(=[NH2+])Nc1cccc(C(C)C)c1 ZINC000303985525 640852895 /nfs/dbraw/zinc/85/28/95/640852895.db2.gz SXYABFBLWNAIOW-CQSZACIVSA-N 1 1 290.455 3.267 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C(C)C)C1 ZINC001007458702 640942141 /nfs/dbraw/zinc/94/21/41/640942141.db2.gz HRGHNVJFYXBSGB-OAHLLOKOSA-N 1 1 286.419 3.190 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C(C)C)C1 ZINC001007459120 640942367 /nfs/dbraw/zinc/94/23/67/640942367.db2.gz MDCRMQGZOJUCPB-MRXNPFEDSA-N 1 1 298.430 3.028 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2C(C)C)C1 ZINC001007459120 640942368 /nfs/dbraw/zinc/94/23/68/640942368.db2.gz MDCRMQGZOJUCPB-MRXNPFEDSA-N 1 1 298.430 3.028 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)c2scc(C)c2Cl)C1 ZINC001007405458 640942489 /nfs/dbraw/zinc/94/24/89/640942489.db2.gz CTSBCKHGMXXNJN-LLVKDONJSA-N 1 1 298.839 3.090 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2scc(C)c2Cl)C1 ZINC001007405458 640942495 /nfs/dbraw/zinc/94/24/95/640942495.db2.gz CTSBCKHGMXXNJN-LLVKDONJSA-N 1 1 298.839 3.090 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C[C@H]2C=CCCC2)C1 ZINC001007608958 640943308 /nfs/dbraw/zinc/94/33/08/640943308.db2.gz NGEPHUPCNXSSII-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C)cc2Cl)C1 ZINC001008626575 640953145 /nfs/dbraw/zinc/95/31/45/640953145.db2.gz FEJNILGGRRHOTE-ZDUSSCGKSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C(F)F)cc2)C1 ZINC001008876534 640955388 /nfs/dbraw/zinc/95/53/88/640955388.db2.gz PDTIUFRNDXKJBQ-AWEZNQCLSA-N 1 1 294.345 3.004 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001009291786 640957221 /nfs/dbraw/zinc/95/72/21/640957221.db2.gz MTAALZBDXJAHOI-HNNXBMFYSA-N 1 1 292.810 3.110 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001009316067 640957246 /nfs/dbraw/zinc/95/72/46/640957246.db2.gz CWFFJWRBTDTOGS-KRWDZBQOSA-N 1 1 286.419 3.190 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001009273453 640957348 /nfs/dbraw/zinc/95/73/48/640957348.db2.gz MKPKYSGTWJLOLR-BRWVUGGUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001009284492 640957561 /nfs/dbraw/zinc/95/75/61/640957561.db2.gz XMJKYURFHGQOTB-ULQDDVLXSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC001009401904 640959208 /nfs/dbraw/zinc/95/92/08/640959208.db2.gz LUHNKIDCUFSXFG-QGZVFWFLSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(C)CCC(C)=C(C)C2)C1 ZINC001009689881 640961372 /nfs/dbraw/zinc/96/13/72/640961372.db2.gz INUJKOOQCRMQFG-AEFFLSMTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001014922224 640976392 /nfs/dbraw/zinc/97/63/92/640976392.db2.gz ZPXXEBJFBVDAOU-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Cl)cc2C)C1 ZINC001015649383 640982567 /nfs/dbraw/zinc/98/25/67/640982567.db2.gz UJZPRVGEMLIOBK-CQSZACIVSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001016174685 640992491 /nfs/dbraw/zinc/99/24/91/640992491.db2.gz RINYRRAQSSNCIR-HNNXBMFYSA-N 1 1 298.386 3.203 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC001017201307 641009216 /nfs/dbraw/zinc/00/92/16/641009216.db2.gz HCJKNTZZBJIFRS-AEFFLSMTSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC001017201308 641010009 /nfs/dbraw/zinc/01/00/09/641010009.db2.gz HCJKNTZZBJIFRS-FUHWJXTLSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC(C)(C)C1 ZINC001017521691 641013788 /nfs/dbraw/zinc/01/37/88/641013788.db2.gz WDCGILXBFWSWTR-IYBDPMFKSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[C@H]1C ZINC001017864549 641017393 /nfs/dbraw/zinc/01/73/93/641017393.db2.gz KHNGEDGJGWXRRZ-NCOADZHNSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H](C)C1 ZINC001018024200 641019308 /nfs/dbraw/zinc/01/93/08/641019308.db2.gz PYSUNMOPQIZLBU-TWMKSMIVSA-N 1 1 290.451 3.064 20 30 CGEDMO COc1ccc(C[N@H+](C)Cc2cc(C#N)cs2)cc1F ZINC000119623305 641043948 /nfs/dbraw/zinc/04/39/48/641043948.db2.gz YLRYYGBNKZCHBL-UHFFFAOYSA-N 1 1 290.363 3.399 20 30 CGEDMO COc1ccc(C[N@@H+](C)Cc2cc(C#N)cs2)cc1F ZINC000119623305 641043956 /nfs/dbraw/zinc/04/39/56/641043956.db2.gz YLRYYGBNKZCHBL-UHFFFAOYSA-N 1 1 290.363 3.399 20 30 CGEDMO CCN(CCC#N)c1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001165049245 721987117 /nfs/dbraw/zinc/98/71/17/721987117.db2.gz UBIMKIYTQURAIL-UHFFFAOYSA-N 1 1 292.814 3.071 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)CC1CCCC1 ZINC001155607106 805596686 /nfs/dbraw/zinc/59/66/86/805596686.db2.gz ICEASWUHAHOCJB-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)CC(C)(C)C ZINC001155644923 805598069 /nfs/dbraw/zinc/59/80/69/805598069.db2.gz RSMBRHVKWYBRMR-ZIAGYGMSSA-N 1 1 268.445 3.071 20 30 CGEDMO CC(C)(Nc1nc(NC2CC2)cc[nH+]1)c1ccc(C#N)cc1 ZINC001156429441 805690557 /nfs/dbraw/zinc/69/05/57/805690557.db2.gz XYLALPBCVMDOJT-UHFFFAOYSA-N 1 1 293.374 3.270 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)C1(C2CCCCC2)CC1 ZINC001156623303 805720352 /nfs/dbraw/zinc/72/03/52/805720352.db2.gz DAHFVJGHKNAFMZ-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCCc1[nH]c2cc(OC)c(OC)cc2[nH+]1 ZINC001250613926 805724876 /nfs/dbraw/zinc/72/48/76/805724876.db2.gz FHTMMFYOKXMIFA-UHFFFAOYSA-N 1 1 260.337 3.479 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)CCc1cccs1 ZINC001156807856 805737065 /nfs/dbraw/zinc/73/70/65/805737065.db2.gz GJKOINJNAQOSQJ-CQSZACIVSA-N 1 1 294.464 3.083 20 30 CGEDMO Cc1[nH+]c(N)ccc1CNc1cc(C#N)c2ccccc2n1 ZINC001156981455 805763671 /nfs/dbraw/zinc/76/36/71/805763671.db2.gz VDWOELIZMVZMLN-UHFFFAOYSA-N 1 1 289.342 3.004 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1sccc1CC ZINC001157074707 805772384 /nfs/dbraw/zinc/77/23/84/805772384.db2.gz CNBMHFKGWBNVID-CYBMUJFWSA-N 1 1 294.464 3.327 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCCC1(C)C ZINC001157190366 805788396 /nfs/dbraw/zinc/78/83/96/805788396.db2.gz MNESTMJLUBXBHI-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@H](C)CCC ZINC001157702467 805854342 /nfs/dbraw/zinc/85/43/42/805854342.db2.gz UCZQIEATUFKUSZ-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)C1CC=CC1 ZINC001157738164 805859012 /nfs/dbraw/zinc/85/90/12/805859012.db2.gz XUWAHMWEESSBCH-OAHLLOKOSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C1CC=CC1 ZINC001157738164 805859022 /nfs/dbraw/zinc/85/90/22/805859022.db2.gz XUWAHMWEESSBCH-OAHLLOKOSA-N 1 1 296.842 3.018 20 30 CGEDMO Cc1[nH+]c(N[C@@H]2CCCc3cccnc32)ccc1CC#N ZINC001157846432 805886525 /nfs/dbraw/zinc/88/65/25/805886525.db2.gz BMICCJWYEMTBDM-OAHLLOKOSA-N 1 1 278.359 3.341 20 30 CGEDMO C#CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)C[C@@H](C)CC ZINC001157902629 805901504 /nfs/dbraw/zinc/90/15/04/805901504.db2.gz LEAAICCCJHLSAD-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC12CCC2 ZINC001158530098 805963788 /nfs/dbraw/zinc/96/37/88/805963788.db2.gz WOYDIXLMVRITLL-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C[C@@H](CNc1[nH+]ccc2[nH]cc(C#N)c21)c1ccc(O)cc1 ZINC001158607728 805974571 /nfs/dbraw/zinc/97/45/71/805974571.db2.gz PNFMKGNBWJTLSE-NSHDSACASA-N 1 1 292.342 3.356 20 30 CGEDMO CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[C@@H](C)CC ZINC001158639235 805980015 /nfs/dbraw/zinc/98/00/15/805980015.db2.gz HBGPOELAIXEGCV-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO CCCCCCCC[C@@H](O)C[NH2+]Cc1nc(C)co1 ZINC001252119744 806006373 /nfs/dbraw/zinc/00/63/73/806006373.db2.gz GGMSBNKZHLMWMY-CQSZACIVSA-N 1 1 268.401 3.184 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCCO[C@H](C)C1 ZINC001252121950 806008846 /nfs/dbraw/zinc/00/88/46/806008846.db2.gz NNWCURUVMSFFOW-HZPDHXFCSA-N 1 1 271.445 3.209 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+]1CCC(=O)C[C@@H]1C ZINC001252123546 806011225 /nfs/dbraw/zinc/01/12/25/806011225.db2.gz IXKFBWVQBHTGRV-HOCLYGCPSA-N 1 1 269.429 3.151 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC(=O)C[C@@H]1C ZINC001252123546 806011234 /nfs/dbraw/zinc/01/12/34/806011234.db2.gz IXKFBWVQBHTGRV-HOCLYGCPSA-N 1 1 269.429 3.151 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](C[C@@H](O)CCCCCCCC)C1 ZINC001252129814 806016304 /nfs/dbraw/zinc/01/63/04/806016304.db2.gz FCBUDIZIDAZTJD-SJORKVTESA-N 1 1 265.441 3.443 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+](CC)CCCN(C)C ZINC001252134059 806019696 /nfs/dbraw/zinc/01/96/96/806019696.db2.gz UQWHTMFLFQYLTM-KRWDZBQOSA-N 1 1 286.504 3.372 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+](CC)CCCN(C)C ZINC001252134059 806019705 /nfs/dbraw/zinc/01/97/05/806019705.db2.gz UQWHTMFLFQYLTM-KRWDZBQOSA-N 1 1 286.504 3.372 20 30 CGEDMO C=C[C@@](C)(O)CNc1cc[nH+]c2cc(Cl)ccc12 ZINC001252545377 806061008 /nfs/dbraw/zinc/06/10/08/806061008.db2.gz IFAPYDZXJMPAIY-CQSZACIVSA-N 1 1 262.740 3.237 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+]1CC[C@H](c2ccccc2Cl)C1 ZINC001252554948 806064484 /nfs/dbraw/zinc/06/44/84/806064484.db2.gz NCRIPTJCIHNAAK-SWLSCSKDSA-N 1 1 265.784 3.066 20 30 CGEDMO C=C[C@](C)(O)C[N@H+](C)[C@@H](C)c1ccc(Br)cc1 ZINC001252559915 806065313 /nfs/dbraw/zinc/06/53/13/806065313.db2.gz CFJDDSGMUFOVFU-FZMZJTMJSA-N 1 1 298.224 3.379 20 30 CGEDMO C=C[C@@](C)(O)C[N@@H+](CC)Cc1ccc(C(F)(F)F)cc1 ZINC001252559052 806066815 /nfs/dbraw/zinc/06/68/15/806066815.db2.gz REMKLQARCICEBZ-CQSZACIVSA-N 1 1 287.325 3.464 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+]1CCSC[C@@H]1c1cccc(Cl)c1 ZINC001252561190 806066834 /nfs/dbraw/zinc/06/68/34/806066834.db2.gz YHUZOXRPBWNUHC-HUUCEWRRSA-N 1 1 297.851 3.367 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@H](Oc2ccccc2C)C1 ZINC001252599686 806080684 /nfs/dbraw/zinc/08/06/84/806080684.db2.gz FPWQDBMAQZZWIH-IRXDYDNUSA-N 1 1 289.419 3.165 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCSC[C@@H]1c1ccc(F)cc1 ZINC001252599813 806081281 /nfs/dbraw/zinc/08/12/81/806081281.db2.gz KIRLMTCKSCMFIQ-HZPDHXFCSA-N 1 1 295.423 3.243 20 30 CGEDMO CCC[C@@H](O)C[N@@H+](CCC#N)C1CCCCCCC1 ZINC001252783414 806112368 /nfs/dbraw/zinc/11/23/68/806112368.db2.gz FRTUHMISQVEWSL-MRXNPFEDSA-N 1 1 266.429 3.476 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H](C)CCC)CC1 ZINC001159607834 806130597 /nfs/dbraw/zinc/13/05/97/806130597.db2.gz ZMNFLJSSUZCIKF-OAHLLOKOSA-N 1 1 278.440 3.137 20 30 CGEDMO C[C@@](O)(C[N@@H+](CCC#N)C1CCCC1)c1ccccc1 ZINC001253099979 806166184 /nfs/dbraw/zinc/16/61/84/806166184.db2.gz CRRCRDUEVWBECP-QGZVFWFLSA-N 1 1 272.392 3.052 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)/C(C)=C/C)CC1 ZINC001159760151 806166468 /nfs/dbraw/zinc/16/64/68/806166468.db2.gz MUYWYRSWGUASOJ-KBHCHJSJSA-N 1 1 290.451 3.446 20 30 CGEDMO C=CCCCCCC[C@H](O)C[NH2+]Cc1nc(CC)co1 ZINC001253226967 806184352 /nfs/dbraw/zinc/18/43/52/806184352.db2.gz DBHDJDHXRFYKCV-HNNXBMFYSA-N 1 1 280.412 3.214 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCC[C@]2(CCO2)C1 ZINC001253240240 806189733 /nfs/dbraw/zinc/18/97/33/806189733.db2.gz HOEMHOQLQGGCHB-SJORKVTESA-N 1 1 281.440 3.129 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC001253241521 806192549 /nfs/dbraw/zinc/19/25/49/806192549.db2.gz XJIKGRSVNJLMDV-ROUUACIJSA-N 1 1 295.467 3.376 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)CCCC)CC1 ZINC001160006006 806212560 /nfs/dbraw/zinc/21/25/60/806212560.db2.gz XONAQNUCHIRVHG-HNNXBMFYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)C(C)(C)C(=C)Cl)CC1 ZINC001160236730 806239990 /nfs/dbraw/zinc/23/99/90/806239990.db2.gz YTQLUPWPOGDCMH-UHFFFAOYSA-N 1 1 296.842 3.090 20 30 CGEDMO C=C[C@H](O)C[N@H+](CCC)Cc1cccc(Br)c1 ZINC001253584721 806264829 /nfs/dbraw/zinc/26/48/29/806264829.db2.gz QTPROYGSHPJPRG-AWEZNQCLSA-N 1 1 298.224 3.208 20 30 CGEDMO C=C[C@H](O)C[N@H+]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001253586300 806265263 /nfs/dbraw/zinc/26/52/63/806265263.db2.gz LFPQOQAZSQMDAV-KBPBESRZSA-N 1 1 285.309 3.389 20 30 CGEDMO C=CC(C)(C)C(=O)NCCC1=CC[N@@H+](CCC(C)C)CC1 ZINC001160914873 806321206 /nfs/dbraw/zinc/32/12/06/806321206.db2.gz AIYZPILDNJHGIA-UHFFFAOYSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H](F)C(C)C)CC1 ZINC001160946513 806326195 /nfs/dbraw/zinc/32/61/95/806326195.db2.gz IDRFIRNWZFVLOQ-INIZCTEOSA-N 1 1 296.430 3.085 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H](CCC)C(C)C)CC1 ZINC001161356093 806368901 /nfs/dbraw/zinc/36/89/01/806368901.db2.gz AHFCZUYEZBPSJY-KRWDZBQOSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)CC(C)(C)C)CC1 ZINC001161390995 806373425 /nfs/dbraw/zinc/37/34/25/806373425.db2.gz NDSZMFZVXYQHAK-HNNXBMFYSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)CC[C@@H](C)CC)CC1 ZINC001161524941 806387284 /nfs/dbraw/zinc/38/72/84/806387284.db2.gz WFATUCAIYZFWHA-HNNXBMFYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)c2ccccc2)CC1 ZINC001161708978 806425593 /nfs/dbraw/zinc/42/55/93/806425593.db2.gz ATMFSOAADZDBNG-INIZCTEOSA-N 1 1 298.430 3.115 20 30 CGEDMO C[N@H+]1CCC[C@@H](N[C@@](C)(C#N)c2ccccc2Cl)CC1 ZINC001254506634 806426715 /nfs/dbraw/zinc/42/67/15/806426715.db2.gz VZDSVNUEQIKEDU-CJNGLKHVSA-N 1 1 291.826 3.153 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](CCCOc2ccc(C)c(C)c2)C1 ZINC001254559164 806449976 /nfs/dbraw/zinc/44/99/76/806449976.db2.gz YZCCYGAOMZZTSG-GOSISDBHSA-N 1 1 289.419 3.349 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](C2CCN(c3ccc(F)cc3)CC2)C1 ZINC001254629418 806464257 /nfs/dbraw/zinc/46/42/57/806464257.db2.gz DNLJXAUGHUPRLL-OAHLLOKOSA-N 1 1 286.394 3.140 20 30 CGEDMO N#C[C@H]1CC[C@H]([N@@H+](Cc2ccccc2)C2CCOCC2)C1 ZINC001254669916 806480239 /nfs/dbraw/zinc/48/02/39/806480239.db2.gz WWHVAXMASYYRJV-WMZOPIPTSA-N 1 1 284.403 3.360 20 30 CGEDMO CCC[N@@H+](CCc1ccccn1)[C@H]1CC[C@H](C#N)C1 ZINC001254671013 806481178 /nfs/dbraw/zinc/48/11/78/806481178.db2.gz NVJSUVVBGXFROC-HOCLYGCPSA-N 1 1 257.381 3.028 20 30 CGEDMO CCC[N@@H+](CCc1ccccn1)[C@@H]1CC[C@H](C#N)C1 ZINC001254671012 806481338 /nfs/dbraw/zinc/48/13/38/806481338.db2.gz NVJSUVVBGXFROC-GOEBONIOSA-N 1 1 257.381 3.028 20 30 CGEDMO CN1CCC([N@@H+](C2CCCC2)[C@H]2CC[C@H](C#N)C2)CC1 ZINC001254680772 806484895 /nfs/dbraw/zinc/48/48/95/806484895.db2.gz ZWAJHBMKMAGIMB-YOEHRIQHSA-N 1 1 275.440 3.017 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(OC)c(C(F)(F)F)c1 ZINC001255156760 806557164 /nfs/dbraw/zinc/55/71/64/806557164.db2.gz RTJPACXWPQHOFL-NSHDSACASA-N 1 1 286.297 3.496 20 30 CGEDMO CC[C@H](CC#N)[N@@H+](C)CCCc1cccc(OC)c1 ZINC001255175641 806568041 /nfs/dbraw/zinc/56/80/41/806568041.db2.gz SIVJXBIEZPQODA-OAHLLOKOSA-N 1 1 260.381 3.252 20 30 CGEDMO CC[C@@H](CC#N)[N@@H+]1CCC[C@@H]1c1ccc(C(=O)OC)cc1 ZINC001255177957 806570490 /nfs/dbraw/zinc/57/04/90/806570490.db2.gz ZCXMJTDZUJRWCK-JKSUJKDBSA-N 1 1 286.375 3.302 20 30 CGEDMO CC[C@@H](CC#N)[N@H+]1CCC[C@@H]1c1ccc(C(=O)OC)cc1 ZINC001255177957 806570497 /nfs/dbraw/zinc/57/04/97/806570497.db2.gz ZCXMJTDZUJRWCK-JKSUJKDBSA-N 1 1 286.375 3.302 20 30 CGEDMO C=CCOC(=O)[C@@H]([NH2+][C@H](C)CCCC)[C@@H](C)CC ZINC001255314256 806605656 /nfs/dbraw/zinc/60/56/56/806605656.db2.gz ZMNDXAJJQCXAPG-MJBXVCDLSA-N 1 1 255.402 3.299 20 30 CGEDMO Cc1[nH+]c2cc(Nc3cc(C)c(C#N)cn3)ccc2n1C ZINC001162625775 806630580 /nfs/dbraw/zinc/63/05/80/806630580.db2.gz IVTWVGGIOXNUQY-UHFFFAOYSA-N 1 1 277.331 3.200 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001255406074 806634683 /nfs/dbraw/zinc/63/46/83/806634683.db2.gz OZIOWKPEONTLIV-UYAOXDASSA-N 1 1 296.458 3.386 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001255406074 806634688 /nfs/dbraw/zinc/63/46/88/806634688.db2.gz OZIOWKPEONTLIV-UYAOXDASSA-N 1 1 296.458 3.386 20 30 CGEDMO C=CCn1ccc2c1ncnc2NC(=[NH2+])C(C)(C)C ZINC001162657819 806642738 /nfs/dbraw/zinc/64/27/38/806642738.db2.gz QYWHSMHIBJCKSR-UHFFFAOYSA-N 1 1 257.341 3.053 20 30 CGEDMO C=CC[C@@H]([NH2+]C1CCC(C(C)(C)C)CC1)C(=O)OC ZINC001255497362 806653589 /nfs/dbraw/zinc/65/35/89/806653589.db2.gz OLACAKGWDCPGEI-JXQTWKCFSA-N 1 1 267.413 3.299 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)C1CCC2(CC1)OCCO2 ZINC001255627888 806683816 /nfs/dbraw/zinc/68/38/16/806683816.db2.gz GXWSREITOCFZCG-UHFFFAOYSA-N 1 1 287.403 3.360 20 30 CGEDMO CC[C@H]1CCC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000037913793 798878722 /nfs/dbraw/zinc/87/87/22/798878722.db2.gz LRXHRVKMJABWJU-HNNXBMFYSA-N 1 1 258.365 3.202 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000077012351 798926171 /nfs/dbraw/zinc/92/61/71/798926171.db2.gz OAWDRZCNFYEIPI-UHFFFAOYSA-N 1 1 277.367 3.257 20 30 CGEDMO N#Cc1c[nH]c2cc[nH+]c(N[C@@H]3CCCc4ccncc43)c12 ZINC001163168506 806712053 /nfs/dbraw/zinc/71/20/53/806712053.db2.gz YLJSYAGUXYIOEI-CQSZACIVSA-N 1 1 289.342 3.319 20 30 CGEDMO N#Cc1cc(F)cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000311596056 799224610 /nfs/dbraw/zinc/22/46/10/799224610.db2.gz BKIRCHJXNRIACY-GASCZTMLSA-N 1 1 258.340 3.319 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](C)[C@H](C)c1ccccc1Cl ZINC000381008983 799371009 /nfs/dbraw/zinc/37/10/09/799371009.db2.gz QGSKGGRTINFKEN-VXGBXAGGSA-N 1 1 266.772 3.261 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](Nc2cc(Cl)ncc2C#N)[C@@H](C)C1 ZINC001163365138 806749811 /nfs/dbraw/zinc/74/98/11/806749811.db2.gz XNMYEVCXYGLBGQ-AAEUAGOBSA-N 1 1 292.814 3.137 20 30 CGEDMO CC(C)C[C@H]1CCC[N@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC000402198620 799560431 /nfs/dbraw/zinc/56/04/31/799560431.db2.gz IGJFPROBIYABDE-IAGOWNOFSA-N 1 1 272.392 3.102 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000710359276 800033109 /nfs/dbraw/zinc/03/31/09/800033109.db2.gz JEKHEIDDANKRSV-OAHLLOKOSA-N 1 1 283.400 3.313 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3nccs3)C2)cc1 ZINC000710362672 800033942 /nfs/dbraw/zinc/03/39/42/800033942.db2.gz XRZJSCOAQDRFTH-CQSZACIVSA-N 1 1 269.373 3.004 20 30 CGEDMO CC[N@@H+](C[C@@H](C)C#N)C[C@H]1CC(C)(C)OC1(C)C ZINC000711277230 800051559 /nfs/dbraw/zinc/05/15/59/800051559.db2.gz HCDCXACDLSIHKF-QWHCGFSZSA-N 1 1 252.402 3.062 20 30 CGEDMO C=CC[N@H+]([C@@H]1CCN(C(=O)OCC)C1)C1CCCCC1 ZINC001256039348 806806887 /nfs/dbraw/zinc/80/68/87/806806887.db2.gz BYPAUSPXYRWMPD-OAHLLOKOSA-N 1 1 280.412 3.038 20 30 CGEDMO C[N@@H+](Cn1ccc(-c2ccc(C#N)cc2)n1)C1CC(C)(C)C1 ZINC000840163326 800496301 /nfs/dbraw/zinc/49/63/01/800496301.db2.gz HNJZZDPQGCJHAV-UHFFFAOYSA-N 1 1 294.402 3.500 20 30 CGEDMO COc1cccc(C[C@@H](C)[N@H+]2CCC[C@@H](C#N)CC2)c1 ZINC001256167038 806841675 /nfs/dbraw/zinc/84/16/75/806841675.db2.gz GYVNWAVNLRUDHS-HUUCEWRRSA-N 1 1 272.392 3.252 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cscc2C)[C@@H]1C ZINC000993206748 800694326 /nfs/dbraw/zinc/69/43/26/800694326.db2.gz NQWDCAKRCRZKAL-DZGCQCFKSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)cc(C)c2)[C@H]1C ZINC000994298180 800695994 /nfs/dbraw/zinc/69/59/94/800695994.db2.gz QNQMDYJILRPPDK-WBVHZDCISA-N 1 1 286.419 3.072 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)C2CC(C)(C)C2)C1 ZINC001023348159 800710666 /nfs/dbraw/zinc/71/06/66/800710666.db2.gz ACKNMYVKDLOPRB-CYBMUJFWSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)C2CC(C)(C)C2)C1 ZINC001023348159 800710669 /nfs/dbraw/zinc/71/06/69/800710669.db2.gz ACKNMYVKDLOPRB-CYBMUJFWSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001023544425 800711218 /nfs/dbraw/zinc/71/12/18/800711218.db2.gz HQDNNSFNZXSNOC-CVEARBPZSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001023603689 800713188 /nfs/dbraw/zinc/71/31/88/800713188.db2.gz XYHWNSIQTBJUAX-GVDBMIGSSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001023602903 800713365 /nfs/dbraw/zinc/71/33/65/800713365.db2.gz MVNVGRFPXMEHCM-GVDBMIGSSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)c2ccsc2Cl)C1 ZINC001023630664 800713395 /nfs/dbraw/zinc/71/33/95/800713395.db2.gz LFMFOIFJYFPJKR-LLVKDONJSA-N 1 1 298.839 3.029 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001023580688 800713425 /nfs/dbraw/zinc/71/34/25/800713425.db2.gz RZFZMBYHKGSDCV-GVDBMIGSSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(C)cc2)C1 ZINC001023718457 800714953 /nfs/dbraw/zinc/71/49/53/800714953.db2.gz UYSITWLOQAGDDU-MRXNPFEDSA-N 1 1 286.419 3.013 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](CNC(=O)c2cc3ccccc3o2)C1 ZINC001023736815 800715774 /nfs/dbraw/zinc/71/57/74/800715774.db2.gz JPDUPRGEGFPATR-AWEZNQCLSA-N 1 1 298.386 3.061 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1sccc1C ZINC001024307498 800723116 /nfs/dbraw/zinc/72/31/16/800723116.db2.gz YMGLTDDBUQEYRR-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccoc1CC ZINC001024420443 800727900 /nfs/dbraw/zinc/72/79/00/800727900.db2.gz PMMJQYAGFPNPEK-CQSZACIVSA-N 1 1 290.407 3.002 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C1CCC(=C)CC1 ZINC001024631540 800731878 /nfs/dbraw/zinc/73/18/78/800731878.db2.gz MCLPIELZTVVEAE-QGZVFWFLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CCCF)CC1 ZINC001024634578 800732928 /nfs/dbraw/zinc/73/29/28/800732928.db2.gz VIZNNZWSXARVQI-MRXNPFEDSA-N 1 1 296.430 3.063 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C=C)cc1 ZINC001024670461 800735513 /nfs/dbraw/zinc/73/55/13/800735513.db2.gz QYZRQJRIPHYXFB-GOSISDBHSA-N 1 1 298.430 3.490 20 30 CGEDMO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C2CC2)c1 ZINC001024816191 800737854 /nfs/dbraw/zinc/73/78/54/800737854.db2.gz DWBYXAVYHIVAAQ-GOSISDBHSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1CC1 ZINC001025183307 800745725 /nfs/dbraw/zinc/74/57/25/800745725.db2.gz JSDCRXSFOCNQHI-SJORKVTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC(C)(C)C ZINC001025201222 800748879 /nfs/dbraw/zinc/74/88/79/800748879.db2.gz JYMUJIDFVAJYDK-CVEARBPZSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCCC[C@H]2[C@@H]2CCC[N@@H+]2CC)C1 ZINC001025270044 800753015 /nfs/dbraw/zinc/75/30/15/800753015.db2.gz ZVUFEWUSPLNTAO-HOTGVXAUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccco2)C1 ZINC001025318821 800755054 /nfs/dbraw/zinc/75/50/54/800755054.db2.gz CDIIWGWKOGRKQJ-HUUCEWRRSA-N 1 1 290.407 3.076 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccc(C)c2)C1 ZINC001025330118 800756602 /nfs/dbraw/zinc/75/66/02/800756602.db2.gz VHNLJSZYPVORTR-DOTOQJQBSA-N 1 1 286.419 3.011 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)C(CC)CC)C1 ZINC001027300953 800790121 /nfs/dbraw/zinc/79/01/21/800790121.db2.gz CVAKETSQBKVVAP-CQSZACIVSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)C(CC)CC)C1 ZINC001027300953 800790126 /nfs/dbraw/zinc/79/01/26/800790126.db2.gz CVAKETSQBKVVAP-CQSZACIVSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)/C=C(/C)C2CC2)C1 ZINC001027311952 800792274 /nfs/dbraw/zinc/79/22/74/800792274.db2.gz APVJISSQAWEEOL-HMVFGEFZSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)/C=C(/C)C2CC2)C1 ZINC001027311952 800792279 /nfs/dbraw/zinc/79/22/79/800792279.db2.gz APVJISSQAWEEOL-HMVFGEFZSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@]2(C)CC=CCC2)C1 ZINC001027423966 800795305 /nfs/dbraw/zinc/79/53/05/800795305.db2.gz NJPWVFHIEQAKBY-SJLPKXTDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C[C@@H]2C=CCCC2)C1 ZINC001027460531 800796216 /nfs/dbraw/zinc/79/62/16/800796216.db2.gz KESWIAFOAPTRHK-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)C2CCC2)C1 ZINC001027460728 800796540 /nfs/dbraw/zinc/79/65/40/800796540.db2.gz NZLAEMQZEKBNFR-ZFWWWQNUSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)C2CCC2)C1 ZINC001027460728 800796545 /nfs/dbraw/zinc/79/65/45/800796545.db2.gz NZLAEMQZEKBNFR-ZFWWWQNUSA-N 1 1 298.858 3.098 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@H]([N@H+](C)CC2CC(C)C2)C1 ZINC001027522037 800799577 /nfs/dbraw/zinc/79/95/77/800799577.db2.gz PZCHSQBNAONVQY-GPANFISMSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)CC2CCCC2)C1 ZINC001027602863 800805850 /nfs/dbraw/zinc/80/58/50/800805850.db2.gz GMUFBBVBNJPREX-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2cc(C)ccc2C)C1 ZINC001027662705 800809167 /nfs/dbraw/zinc/80/91/67/800809167.db2.gz XJJKIQBDYKIRDH-MRXNPFEDSA-N 1 1 286.419 3.026 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1scc(C)c1Cl ZINC001027905501 800825289 /nfs/dbraw/zinc/82/52/89/800825289.db2.gz YXCSHWWYPYELGU-NSHDSACASA-N 1 1 298.839 3.090 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)C1CCC2(CC2)CC1 ZINC001028032433 800827257 /nfs/dbraw/zinc/82/72/57/800827257.db2.gz WAEAYUUMDUQBQQ-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC12CC2 ZINC001027965666 800828747 /nfs/dbraw/zinc/82/87/47/800828747.db2.gz ZVNCXFZQPGPTRS-JKSUJKDBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2C[C@H](F)CC)CC1 ZINC001028116990 800831923 /nfs/dbraw/zinc/83/19/23/800831923.db2.gz LYRUNLCDALSHAM-CVEARBPZSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(Cl)cs1 ZINC001028178414 800836032 /nfs/dbraw/zinc/83/60/32/800836032.db2.gz QDLPYIWUEUBAIB-GFCCVEGCSA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001028279395 800837610 /nfs/dbraw/zinc/83/76/10/800837610.db2.gz ZGTZVMGKPVPMRU-ULQDDVLXSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC(C)(C)C1 ZINC001028341150 800844335 /nfs/dbraw/zinc/84/43/35/800844335.db2.gz ZUAYXBDBJPXSNY-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)C1CC(C(C)(C)C)C1 ZINC001028341484 800844633 /nfs/dbraw/zinc/84/46/33/800844633.db2.gz LWOBQWMFHMUILM-GPANFISMSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001028892327 800853964 /nfs/dbraw/zinc/85/39/64/800853964.db2.gz ZHLZCUMHQWTHLD-ULQDDVLXSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](CNC(=O)c2ccsc2Cl)C1 ZINC001028847346 800854383 /nfs/dbraw/zinc/85/43/83/800854383.db2.gz FKSAZSBVBGENIN-LLVKDONJSA-N 1 1 298.839 3.029 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)c2cc3ccccc3o2)C1 ZINC001028972292 800856479 /nfs/dbraw/zinc/85/64/79/800856479.db2.gz IAHZRSUZSPHZHP-AWEZNQCLSA-N 1 1 298.386 3.061 20 30 CGEDMO C=C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C)c1ccccc1 ZINC001029593869 800870877 /nfs/dbraw/zinc/87/08/77/800870877.db2.gz HVYJUMSANAPALS-FGTMMUONSA-N 1 1 298.430 3.040 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC(C[N@@H+](C)CC2CCC2)CC1 ZINC001029984633 800882917 /nfs/dbraw/zinc/88/29/17/800882917.db2.gz KTCZMFYRUDWWDA-UHFFFAOYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)C2CCCCCCC2)C1 ZINC001030655368 800893248 /nfs/dbraw/zinc/89/32/48/800893248.db2.gz TWXMOCUUFYWGLT-UHFFFAOYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C1CC(C)(C(=O)NC2C[NH+]([C@H](CC)c3ccccc3)C2)C1 ZINC001030918414 800902231 /nfs/dbraw/zinc/90/22/31/800902231.db2.gz ANDQMVQJDZHVHZ-QGZVFWFLSA-N 1 1 298.430 3.294 20 30 CGEDMO C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCCCCCC1 ZINC001032513230 800929421 /nfs/dbraw/zinc/92/94/21/800929421.db2.gz YBAKOKGZIJVAMP-IRXDYDNUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C2CC2)cc1 ZINC001032796926 800937786 /nfs/dbraw/zinc/93/77/86/800937786.db2.gz YIHQFPNYXHKGGX-ROUUACIJSA-N 1 1 296.414 3.039 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)CC2CCCC2)C1 ZINC001032877338 800942738 /nfs/dbraw/zinc/94/27/38/800942738.db2.gz PPRXEDDJRXBBPK-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C)oc2C)C1 ZINC001032901666 800943874 /nfs/dbraw/zinc/94/38/74/800943874.db2.gz PPQJWRQWCKEHCE-HNNXBMFYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccsc2C)C1 ZINC001033065212 800950691 /nfs/dbraw/zinc/95/06/91/800950691.db2.gz LXHZVZWGAHJKOL-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2sc(C)cc2C)C1 ZINC001033119829 800953891 /nfs/dbraw/zinc/95/38/91/800953891.db2.gz PWSPRISLEAMRAB-AWEZNQCLSA-N 1 1 292.448 3.087 20 30 CGEDMO C=C1CCC(C(=O)N(C)[C@H]2CC[N@H+](C[C@@H](F)CC)C2)CC1 ZINC001033389586 800962113 /nfs/dbraw/zinc/96/21/13/800962113.db2.gz RETDPHCPSUFGAF-HOTGVXAUSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001033392954 800962984 /nfs/dbraw/zinc/96/29/84/800962984.db2.gz FLINUAXLLMLCTO-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2csc(Cl)c2)C1 ZINC001033472105 800965988 /nfs/dbraw/zinc/96/59/88/800965988.db2.gz SDSRCKQZDJXXBK-GFCCVEGCSA-N 1 1 298.839 3.124 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(Cl)cs2)C1 ZINC001033471935 800966852 /nfs/dbraw/zinc/96/68/52/800966852.db2.gz PRWUCGBXHFMUGO-GFCCVEGCSA-N 1 1 298.839 3.124 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C2CCC=CCC2)C1 ZINC001033673161 800973142 /nfs/dbraw/zinc/97/31/42/800973142.db2.gz CUPCMDXYQFAMRG-KRWDZBQOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2sccc2CC)C1 ZINC001033685988 800973247 /nfs/dbraw/zinc/97/32/47/800973247.db2.gz YDIHYUJRIAUJLZ-CQSZACIVSA-N 1 1 292.448 3.033 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)C2(C)CCC(C)CC2)C1 ZINC001033697483 800974778 /nfs/dbraw/zinc/97/47/78/800974778.db2.gz GFZQFNJKUUNBJF-PQUAAJSLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)C2(C)CCC(C)CC2)C1 ZINC001033697484 800975382 /nfs/dbraw/zinc/97/53/82/800975382.db2.gz GFZQFNJKUUNBJF-UPTPFMHGSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001033896009 800988187 /nfs/dbraw/zinc/98/81/87/800988187.db2.gz WIKXTWOTXDTKEP-ARFHVFGLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)C2CCC(=C)CC2)C1 ZINC001033950739 800991223 /nfs/dbraw/zinc/99/12/23/800991223.db2.gz RPORVTPKHYFTEA-KRWDZBQOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001033948706 800991493 /nfs/dbraw/zinc/99/14/93/800991493.db2.gz BSIWSNNZQLVPJK-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(C)c(C)s2)C1 ZINC001034040101 800994445 /nfs/dbraw/zinc/99/44/45/800994445.db2.gz RPNCAUMCCROEMQ-CQSZACIVSA-N 1 1 292.448 3.087 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)C2CCC=CCC2)C1 ZINC001034043163 800994868 /nfs/dbraw/zinc/99/48/68/800994868.db2.gz XPYFZZPPYMHBMQ-QGZVFWFLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2c(C)coc2C)C1 ZINC001034193850 801011296 /nfs/dbraw/zinc/01/12/96/801011296.db2.gz JAQAFIDAOQHLCU-OAHLLOKOSA-N 1 1 290.407 3.057 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001034300973 801017027 /nfs/dbraw/zinc/01/70/27/801017027.db2.gz DGVMHNZRPHESNF-ARFHVFGLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC001034350506 801019971 /nfs/dbraw/zinc/01/99/71/801019971.db2.gz HMGNRFMZOFDPOT-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC001034359747 801021688 /nfs/dbraw/zinc/02/16/88/801021688.db2.gz AXYXAQXNXWTSKL-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@H+](C[C@@H](C)CC)C2)C1 ZINC001034388690 801023363 /nfs/dbraw/zinc/02/33/63/801023363.db2.gz IVMYONGTFNPINT-HOCLYGCPSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@H+](CCC(C)C)C2)C1 ZINC001034387966 801023468 /nfs/dbraw/zinc/02/34/68/801023468.db2.gz ZQUGMQUARVZXCT-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@H+](CC=C(C)C)C2)C1 ZINC001034386860 801023498 /nfs/dbraw/zinc/02/34/98/801023498.db2.gz GWPDZSHBBLNAEZ-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(CC)cc2)C1 ZINC001034513510 801030021 /nfs/dbraw/zinc/03/00/21/801030021.db2.gz ATKYUZGVOCQUEY-KRWDZBQOSA-N 1 1 286.419 3.019 20 30 CGEDMO C=CC[N@H+]1CCCC[C@H](NC(=O)c2coc3ccccc23)C1 ZINC001034549611 801033741 /nfs/dbraw/zinc/03/37/41/801033741.db2.gz LNXCIBSPIOKXHY-AWEZNQCLSA-N 1 1 298.386 3.203 20 30 CGEDMO C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)C(F)=C(C)C)CC2 ZINC001035175847 801054397 /nfs/dbraw/zinc/05/43/97/801054397.db2.gz SKJDKPZGZJHNAL-UHFFFAOYSA-N 1 1 294.414 3.140 20 30 CGEDMO C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)C(C)(C)CC)CC2 ZINC001035218405 801055029 /nfs/dbraw/zinc/05/50/29/801055029.db2.gz GRXLPOOCSDLHRZ-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)C(CC)CC)CC[C@H]21 ZINC001036652762 801086842 /nfs/dbraw/zinc/08/68/42/801086842.db2.gz XUEIATOUIZIENB-LSDHHAIUSA-N 1 1 298.858 3.098 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(C)CCCCC3)CC[C@@H]21 ZINC001036811251 801091344 /nfs/dbraw/zinc/09/13/44/801091344.db2.gz NSCYLKHFNZJWRP-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1C(C)C ZINC001038314871 801125054 /nfs/dbraw/zinc/12/50/54/801125054.db2.gz CEOLDBXEQHPTBY-OAHLLOKOSA-N 1 1 286.419 3.190 20 30 CGEDMO C=CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(CCCC)cc1 ZINC001038478751 801126552 /nfs/dbraw/zinc/12/65/52/801126552.db2.gz FJWPCSAIWFZXAY-KRWDZBQOSA-N 1 1 286.419 3.019 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(CCCC)cc1 ZINC001038478751 801126558 /nfs/dbraw/zinc/12/65/58/801126558.db2.gz FJWPCSAIWFZXAY-KRWDZBQOSA-N 1 1 286.419 3.019 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C(F)F)cc1 ZINC001038817915 801134595 /nfs/dbraw/zinc/13/45/95/801134595.db2.gz AFSKSXYFACMFNO-CQSZACIVSA-N 1 1 294.345 3.004 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C(F)F)cc1 ZINC001038817915 801134605 /nfs/dbraw/zinc/13/46/05/801134605.db2.gz AFSKSXYFACMFNO-CQSZACIVSA-N 1 1 294.345 3.004 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(C(C)C)c1 ZINC001038880741 801134871 /nfs/dbraw/zinc/13/48/71/801134871.db2.gz JQLGHCSDYYWXBJ-QGZVFWFLSA-N 1 1 286.419 3.190 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](C)CC)CC2)C1 ZINC001039105335 801148125 /nfs/dbraw/zinc/14/81/25/801148125.db2.gz WBMYGSINJWQZMC-DOTOQJQBSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+]1CC[C@H](C2CCN(C(=O)c3ccccc3)CC2)C1 ZINC001039110145 801149042 /nfs/dbraw/zinc/14/90/42/801149042.db2.gz YBBXLIXOPKMCRK-SFHVURJKSA-N 1 1 298.430 3.047 20 30 CGEDMO C=CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCC2CC2)C1 ZINC001039195792 801153254 /nfs/dbraw/zinc/15/32/54/801153254.db2.gz NEAMQJKGVLPIPC-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C ZINC001039326586 801157816 /nfs/dbraw/zinc/15/78/16/801157816.db2.gz DWTLQUXWBHBQDB-SJORKVTESA-N 1 1 298.430 3.250 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C(C)(C)C ZINC001039393625 801160721 /nfs/dbraw/zinc/16/07/21/801160721.db2.gz DGXKJIUWVUTXAU-XHSDSOJGSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC([N@@H+](CC)CC2CC2)CC1 ZINC001039487399 801163742 /nfs/dbraw/zinc/16/37/42/801163742.db2.gz MZJGREZXEVAPJU-UHFFFAOYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)C3CCCC3)C2)C1 ZINC001040035745 801169555 /nfs/dbraw/zinc/16/95/55/801169555.db2.gz UHRKFCWNENZVFL-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H](C)CC)C2)C1 ZINC001040082436 801172600 /nfs/dbraw/zinc/17/26/00/801172600.db2.gz DZBNYMZTMQTHKH-CJNGLKHVSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C)CC)C2)C1 ZINC001040082436 801172603 /nfs/dbraw/zinc/17/26/03/801172603.db2.gz DZBNYMZTMQTHKH-CJNGLKHVSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)C3(C)CCC3)C2)C1 ZINC001040336114 801176888 /nfs/dbraw/zinc/17/68/88/801176888.db2.gz GNXMBICGBMXWDQ-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)c3ccccc3C)C2)C1 ZINC001041033290 801184875 /nfs/dbraw/zinc/18/48/75/801184875.db2.gz NEQNMKIYKKZYBU-IBGZPJMESA-N 1 1 298.430 3.109 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)C(C)(C)C(=C)C)C2)C1 ZINC001041535704 801188896 /nfs/dbraw/zinc/18/88/96/801188896.db2.gz JTRKTRALARRDOT-SFHVURJKSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@@]2(CC[N@H+](CC=C(C)C)C2)C1 ZINC001041540150 801189786 /nfs/dbraw/zinc/18/97/86/801189786.db2.gz LHRKJTJKRKJVAG-GOSISDBHSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[C@]2(CC[N@@H+](CC(C)C)C2)C1 ZINC001041638665 801193116 /nfs/dbraw/zinc/19/31/16/801193116.db2.gz OQGHKMUHJSOYDK-MSOLQXFVSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)CC(C)(C)C)C[C@@H]21 ZINC001041927693 801197053 /nfs/dbraw/zinc/19/70/53/801197053.db2.gz INMMOZYATWHKNL-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)CCC3CC3)C[C@@H]21 ZINC001041980865 801198955 /nfs/dbraw/zinc/19/89/55/801198955.db2.gz DITPUWUETQISSE-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(C)ccc3C)C[C@@H]21 ZINC001042334875 801204463 /nfs/dbraw/zinc/20/44/63/801204463.db2.gz HWKHOQGSZMKORK-WMZOPIPTSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C1CC(C)(C(=O)N(C)C2C[NH+]([C@@H](C)c3ccccc3)C2)C1 ZINC001043794238 801224236 /nfs/dbraw/zinc/22/42/36/801224236.db2.gz FSCYOJBTMGBYMH-HNNXBMFYSA-N 1 1 298.430 3.247 20 30 CGEDMO C=C(C)CC[NH+]1CC(N(C)C(=O)c2ccsc2Cl)C1 ZINC001044008454 801228457 /nfs/dbraw/zinc/22/84/57/801228457.db2.gz JOVQRZZCXVBMIF-UHFFFAOYSA-N 1 1 298.839 3.124 20 30 CGEDMO C=C(C)CC[NH+]1CC(N(C)C(=O)c2cc(C)c(C)s2)C1 ZINC001044274268 801234153 /nfs/dbraw/zinc/23/41/53/801234153.db2.gz NMONSGUKPNROMX-UHFFFAOYSA-N 1 1 292.448 3.087 20 30 CGEDMO C=CCC[NH+]1CC(N(C)C(=O)c2cc3c(cccc3C)o2)C1 ZINC001044350117 801237066 /nfs/dbraw/zinc/23/70/66/801237066.db2.gz OZVBIEVNSZFLND-UHFFFAOYSA-N 1 1 298.386 3.074 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H](C)F ZINC001045827920 801287925 /nfs/dbraw/zinc/28/79/25/801287925.db2.gz WQHBDKFCHRHSJU-ZNMIVQPWSA-N 1 1 296.430 3.012 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC1(C)CC1)C2 ZINC001045953063 801295888 /nfs/dbraw/zinc/29/58/88/801295888.db2.gz UVOLBFXDOUQNFW-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)c2cc(C)c(C)o2)C1 ZINC001046243795 801304792 /nfs/dbraw/zinc/30/47/92/801304792.db2.gz FXVZKCUPFHQESJ-KRWDZBQOSA-N 1 1 290.407 3.057 20 30 CGEDMO C=C1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CC3CCC3)C2)CC1 ZINC001046594971 801315840 /nfs/dbraw/zinc/31/58/40/801315840.db2.gz TUYHAVMZNCUAIF-SFHVURJKSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CN(C(=O)C(CC)(CC)CC)C[C@H]2C1 ZINC001049134480 801356550 /nfs/dbraw/zinc/35/65/50/801356550.db2.gz KAMGYGHNXITNRM-IYBDPMFKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC1CCCCC1 ZINC001049305819 801363141 /nfs/dbraw/zinc/36/31/41/801363141.db2.gz FUQGMAQNCLOQFE-SJORKVTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC(C)(C)C ZINC001049328079 801365004 /nfs/dbraw/zinc/36/50/04/801365004.db2.gz ROSLURURKANBDV-KGLIPLIRSA-N 1 1 298.858 3.240 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC(C)(C)C ZINC001049328079 801365010 /nfs/dbraw/zinc/36/50/10/801365010.db2.gz ROSLURURKANBDV-KGLIPLIRSA-N 1 1 298.858 3.240 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C=C1CCC1 ZINC001049411318 801370413 /nfs/dbraw/zinc/37/04/13/801370413.db2.gz HPUYGKOYSZTXRF-IAGOWNOFSA-N 1 1 288.435 3.128 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCF ZINC001049634217 801378894 /nfs/dbraw/zinc/37/88/94/801378894.db2.gz PNPWVZQANTVORY-CABCVRRESA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC1CC(C)(C)C1 ZINC001049669175 801383597 /nfs/dbraw/zinc/38/35/97/801383597.db2.gz RGCXDRMFIKCKSN-JKSUJKDBSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@](C)(C=C)CC ZINC001049700579 801385738 /nfs/dbraw/zinc/38/57/38/801385738.db2.gz XHDMGBCHJKDBHB-NUJGCVRESA-N 1 1 290.451 3.230 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1c(C)cccc1C ZINC001049743679 801386741 /nfs/dbraw/zinc/38/67/41/801386741.db2.gz RTQYXMPFLHMTLQ-IRXDYDNUSA-N 1 1 298.430 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(C)c(C)c1 ZINC001049872306 801391674 /nfs/dbraw/zinc/39/16/74/801391674.db2.gz RCXCWULJMSJACY-MSOLQXFVSA-N 1 1 298.430 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C)cc1C ZINC001049878640 801391768 /nfs/dbraw/zinc/39/17/68/801391768.db2.gz YZQDRXAUINQHND-ZWKOTPCHSA-N 1 1 298.430 3.168 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)c2cccs2)CC1 ZINC001052171983 801421972 /nfs/dbraw/zinc/42/19/72/801421972.db2.gz RQLLFQFNDGHSGH-GFCCVEGCSA-N 1 1 298.839 3.085 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)c2cccs2)CC1 ZINC001052171983 801421978 /nfs/dbraw/zinc/42/19/78/801421978.db2.gz RQLLFQFNDGHSGH-GFCCVEGCSA-N 1 1 298.839 3.085 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccc(C)s2)CC1 ZINC001052165794 801423005 /nfs/dbraw/zinc/42/30/05/801423005.db2.gz SAEFJGLEYUETQI-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)oc2C)CC1 ZINC001052194006 801426345 /nfs/dbraw/zinc/42/63/45/801426345.db2.gz CFUKWZJIUWTSET-HNNXBMFYSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC(C)=C(C)C2)CC1 ZINC001052409862 801435295 /nfs/dbraw/zinc/43/52/95/801435295.db2.gz PRJIXVYTTMLPOZ-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CC=CCC2)CC1 ZINC001052628379 801440518 /nfs/dbraw/zinc/44/05/18/801440518.db2.gz XYHNEQUILVVEMI-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)CC1 ZINC001052883388 801455512 /nfs/dbraw/zinc/45/55/12/801455512.db2.gz OCPZZFBWSBFXGB-BRWVUGGUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(C)CC=C(C)CC2)CC1 ZINC001052951617 801458226 /nfs/dbraw/zinc/45/82/26/801458226.db2.gz KWVIPLDNJODTRZ-AEFFLSMTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CC)C2)C1 ZINC001052994425 801460073 /nfs/dbraw/zinc/46/00/73/801460073.db2.gz NCXHSCNATLQLIR-CABCVRRESA-N 1 1 298.858 3.100 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C2(C)C(C)(C)C2(C)C)CC1 ZINC001052975763 801460128 /nfs/dbraw/zinc/46/01/28/801460128.db2.gz IJNOAKIJNPBCBB-CQSZACIVSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+](CC)C2)C1 ZINC001053032838 801464742 /nfs/dbraw/zinc/46/47/42/801464742.db2.gz MTMRRRQKZJHVCS-HZPDHXFCSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C(C)(C)F)C1 ZINC001053063782 801465594 /nfs/dbraw/zinc/46/55/94/801465594.db2.gz RAQOKMLBGSVBOQ-GJZGRUSLSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC2CC2)C1 ZINC001053060260 801466272 /nfs/dbraw/zinc/46/62/72/801466272.db2.gz FOWUHGISCLJFTN-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC1CCC1)C2 ZINC001054109811 801473683 /nfs/dbraw/zinc/47/36/83/801473683.db2.gz SQTDFMWIGKMIIS-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](F)CC)C2 ZINC001054176031 801477851 /nfs/dbraw/zinc/47/78/51/801477851.db2.gz ALYNHTBTBPMDLV-NVXWUHKLSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(CC)CC1)C2 ZINC001054192376 801480123 /nfs/dbraw/zinc/48/01/23/801480123.db2.gz WDVOFDZLPFSUSQ-QGZVFWFLSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)c3cocc3C)cc2C1 ZINC001054277364 801484935 /nfs/dbraw/zinc/48/49/35/801484935.db2.gz XKSSVOOLPOAZSZ-UHFFFAOYSA-N 1 1 296.370 3.020 20 30 CGEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)c3cocc3C)cc2C1 ZINC001054277364 801484936 /nfs/dbraw/zinc/48/49/36/801484936.db2.gz XKSSVOOLPOAZSZ-UHFFFAOYSA-N 1 1 296.370 3.020 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cccc(C)c2)CC[C@H]1C ZINC001071316886 801525559 /nfs/dbraw/zinc/52/55/59/801525559.db2.gz LDAYIWYBUKSHKJ-WBVHZDCISA-N 1 1 286.419 3.154 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2oc(C)cc2C)CC[C@@H]1C ZINC001071409527 801534095 /nfs/dbraw/zinc/53/40/95/801534095.db2.gz YJDAKOVMBXRNHK-ZFWWWQNUSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C2C(C)(C)C2(C)C)CC[C@H]1C ZINC001071413188 801535292 /nfs/dbraw/zinc/53/52/92/801535292.db2.gz CWAVFWGJBRRCIO-ZIAGYGMSSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)C2=CCCCCC2)CC[C@H]1C ZINC001071457615 801536257 /nfs/dbraw/zinc/53/62/57/801536257.db2.gz KHQDYGZCTNYLGL-GDBMZVCRSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C)c(C)o2)CC[C@@H]1C ZINC001071434058 801536725 /nfs/dbraw/zinc/53/67/25/801536725.db2.gz ADUVJTMXLPNSEM-ZFWWWQNUSA-N 1 1 290.407 3.055 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2cc(C)cs2)CC[C@@H]1C ZINC001071477335 801539214 /nfs/dbraw/zinc/53/92/14/801539214.db2.gz MMHJXNBKJFQTPQ-UONOGXRCSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2sccc2Cl)CC[C@@H]1C ZINC001071525064 801541521 /nfs/dbraw/zinc/54/15/21/801541521.db2.gz JUCGDMFSXSNFOS-QWRGUYRKSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2sccc2Cl)CC[C@@H]1C ZINC001071525064 801541524 /nfs/dbraw/zinc/54/15/24/801541524.db2.gz JUCGDMFSXSNFOS-QWRGUYRKSA-N 1 1 298.839 3.170 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C23CCC(CC2)C3)CC[C@H]1C ZINC001071612835 801543446 /nfs/dbraw/zinc/54/34/46/801543446.db2.gz NZZYVFGQUXQBSH-CTMQZQKCSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2ccc(CC)o2)CC[C@H]1C ZINC001071620080 801544994 /nfs/dbraw/zinc/54/49/94/801544994.db2.gz ZRVLULSPOGUPLA-KGLIPLIRSA-N 1 1 290.407 3.001 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C2CC2)CC[C@H]1C ZINC001071757894 801549029 /nfs/dbraw/zinc/54/90/29/801549029.db2.gz WHWGERAHOWDUTR-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2(C)CC=CC2)CC[C@@H]1C ZINC001071799840 801551388 /nfs/dbraw/zinc/55/13/88/801551388.db2.gz NVIKCQXAJUNXHK-HOTGVXAUSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2c(C)cccc2C)CC[C@H]1C ZINC001071844437 801553913 /nfs/dbraw/zinc/55/39/13/801553913.db2.gz MGOJGPOBWHNNOF-HZPDHXFCSA-N 1 1 286.419 3.072 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2CC3(CC3)C2)CC[C@H]1C ZINC001071819126 801554586 /nfs/dbraw/zinc/55/45/86/801554586.db2.gz SGSHWJURRWAIJK-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)c(C)s2)CC[C@@H]1C ZINC001072058344 801562091 /nfs/dbraw/zinc/56/20/91/801562091.db2.gz KRNDPBAUXFNQLX-JSGCOSHPSA-N 1 1 292.448 3.134 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2C=CCCC2)C1 ZINC001079946789 801650141 /nfs/dbraw/zinc/65/01/41/801650141.db2.gz ZKOUXRRKQILJFW-IXDOHACOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001080984229 801656081 /nfs/dbraw/zinc/65/60/81/801656081.db2.gz MGYKDNSPDODCMZ-NUJGCVRESA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(Cl)s2)C1 ZINC001080888947 801656689 /nfs/dbraw/zinc/65/66/89/801656689.db2.gz MQTMHUKGQYRINB-GHMZBOCLSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC001080836344 801657679 /nfs/dbraw/zinc/65/76/79/801657679.db2.gz COJQMJKXONKSCF-RDTXWAMCSA-N 1 1 294.398 3.076 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[N@@H+](CCC(C)C)C[C@H]21 ZINC001084635294 801670038 /nfs/dbraw/zinc/67/00/38/801670038.db2.gz VFCOLOHRWYQOQS-NUJGCVRESA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C)cc(C)c3)[C@@H]2C1 ZINC001084796581 801670385 /nfs/dbraw/zinc/67/03/85/801670385.db2.gz JZDKFPIZLHNWRI-SJLPKXTDSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C3(C)CCCCC3)[C@@H]2C1 ZINC001084629656 801670403 /nfs/dbraw/zinc/67/04/03/801670403.db2.gz AZLXDXWIWJXVBV-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[N@@H+](CC=C(C)C)C[C@H]21 ZINC001084635393 801670992 /nfs/dbraw/zinc/67/09/92/801670992.db2.gz YJZJGMSQRGCHAZ-NUJGCVRESA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccoc1Cl ZINC001085568940 801693782 /nfs/dbraw/zinc/69/37/82/801693782.db2.gz WAEOSEBPLFJGTP-GFCCVEGCSA-N 1 1 296.798 3.046 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC1(C)C ZINC001085773367 801703960 /nfs/dbraw/zinc/70/39/60/801703960.db2.gz ATIKUYDJTSUZTG-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CC=C(C)C)CC1 ZINC001085800786 801704858 /nfs/dbraw/zinc/70/48/58/801704858.db2.gz BQTRDUSDMLMEFY-KRWDZBQOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1csc(Cl)c1 ZINC001085854182 801709003 /nfs/dbraw/zinc/70/90/03/801709003.db2.gz SBISIKLNLLXCTG-GFCCVEGCSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2ccccc2o1 ZINC001085960463 801713500 /nfs/dbraw/zinc/71/35/00/801713500.db2.gz FEXJHVKVWYFTDD-OAHLLOKOSA-N 1 1 298.386 3.155 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCCC1(C)C ZINC001085991025 801717193 /nfs/dbraw/zinc/71/71/93/801717193.db2.gz CWXVPMWKAJVSDE-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccsc2)[C@H]1CC ZINC001087496402 801751833 /nfs/dbraw/zinc/75/18/33/801751833.db2.gz YVNJADKHJNKFIU-LSDHHAIUSA-N 1 1 292.448 3.297 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)[C@H]1CC ZINC001087584055 801757389 /nfs/dbraw/zinc/75/73/89/801757389.db2.gz LLCWWKADUQKALJ-IXDOHACOSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CC3CCC3)[C@@H]2CC)C1 ZINC001087717885 801765444 /nfs/dbraw/zinc/76/54/44/801765444.db2.gz QZSYJHPKHNXIPH-JKSUJKDBSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2csc(C)c2)[C@H]1CC ZINC001087761126 801765483 /nfs/dbraw/zinc/76/54/83/801765483.db2.gz AOCQLSABJVWKRG-LSDHHAIUSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2cccs2)[C@H]1CC ZINC001087721814 801766077 /nfs/dbraw/zinc/76/60/77/801766077.db2.gz GRUGWHOUHJQYRN-MELADBBJSA-N 1 1 292.448 3.007 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC)cc2)[C@H]1CC ZINC001087816972 801768666 /nfs/dbraw/zinc/76/86/66/801768666.db2.gz QYLMSKUPLXPBTN-DLBZAZTESA-N 1 1 286.419 3.018 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(C)c2C)[C@H]1C ZINC001089016730 801817039 /nfs/dbraw/zinc/81/70/39/801817039.db2.gz QGLAZPFNKRMJDB-WBVHZDCISA-N 1 1 286.419 3.072 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2CCC(C)(C)CC2)[C@H]1C ZINC001089067200 801818578 /nfs/dbraw/zinc/81/85/78/801818578.db2.gz WSKIPBXMAUPAFG-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2)CC(C)(C)C1 ZINC001089302624 801831944 /nfs/dbraw/zinc/83/19/44/801831944.db2.gz GNSAAXCZKWWIJQ-MRXNPFEDSA-N 1 1 286.419 3.093 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C2CCC2)CC(C)(C)C1 ZINC001089416805 801838342 /nfs/dbraw/zinc/83/83/42/801838342.db2.gz PTZIUWIIPYIBAO-ZBFHGGJFSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2C)CC(C)(C)C1 ZINC001089465636 801839146 /nfs/dbraw/zinc/83/91/46/801839146.db2.gz UDEDFJNXCCJJTE-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001089606090 801845434 /nfs/dbraw/zinc/84/54/34/801845434.db2.gz VPFAETBFGNTJAX-JKSUJKDBSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C)C(C)(C)C)C[C@]2(C)C1 ZINC001091786262 801860028 /nfs/dbraw/zinc/86/00/28/801860028.db2.gz YOBOIGAKFJLESM-DAYGRLMNSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(CC)CC)C[C@]2(C)C1 ZINC001092290526 801862419 /nfs/dbraw/zinc/86/24/19/801862419.db2.gz UXIFVYNYVHWLID-QAPCUYQASA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC2(C)C)[C@H](C)C1 ZINC001092899454 801864333 /nfs/dbraw/zinc/86/43/33/801864333.db2.gz CEVGACDHSYDNAS-BZUAXINKSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H]2C[N@@H+](CCCC)C[C@H]2C)CC1 ZINC001092940418 801865066 /nfs/dbraw/zinc/86/50/66/801865066.db2.gz MRKAKQBPBJNNJX-NVXWUHKLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(F)=C1CCCC1)C2 ZINC001095306786 801882920 /nfs/dbraw/zinc/88/29/20/801882920.db2.gz FYTCTWWROQVYFS-ILXRZTDVSA-N 1 1 292.398 3.082 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC1(C)C)C2 ZINC001095892881 801885435 /nfs/dbraw/zinc/88/54/35/801885435.db2.gz WCKUTFGVEMAKNF-UGUYLWEFSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC=C(C)C)C1 ZINC001097810809 801904757 /nfs/dbraw/zinc/90/47/57/801904757.db2.gz WEHPWRBOGISNQX-OAGGEKHMSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[C@H](C)CC1)C2 ZINC001098251338 801908071 /nfs/dbraw/zinc/90/80/71/801908071.db2.gz WYQBGGXNCZYAQI-HHARLNAUSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC(C)(C)C ZINC001098911806 801920235 /nfs/dbraw/zinc/92/02/35/801920235.db2.gz WXASJNNUESMROJ-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H](C)C(C)C ZINC001098960902 801922206 /nfs/dbraw/zinc/92/22/06/801922206.db2.gz TZZSBEVVFPGPRZ-HOTGVXAUSA-N 1 1 294.483 3.461 20 30 CGEDMO C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H](C)CC ZINC001099038941 801926000 /nfs/dbraw/zinc/92/60/00/801926000.db2.gz QHKILJYIGMHSBF-CVEARBPZSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)/C(C)=C/C ZINC001099016800 801926010 /nfs/dbraw/zinc/92/60/10/801926010.db2.gz NCXAWNMBUGCAIC-KEQVLUGWSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCF ZINC001099092861 801927706 /nfs/dbraw/zinc/92/77/06/801927706.db2.gz JJBRYFHFVCFYQF-AWEZNQCLSA-N 1 1 298.446 3.165 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCF ZINC001099092861 801927716 /nfs/dbraw/zinc/92/77/16/801927716.db2.gz JJBRYFHFVCFYQF-AWEZNQCLSA-N 1 1 298.446 3.165 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C)c(C)c2)C1 ZINC001099146314 801929868 /nfs/dbraw/zinc/92/98/68/801929868.db2.gz JHNBFGRLCURTEG-HKUYNNGSSA-N 1 1 298.430 3.074 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2C[N@H+](CC(C)C)C[C@@]2(C)C1 ZINC001101337835 801975827 /nfs/dbraw/zinc/97/58/27/801975827.db2.gz NFDOFQJDEANENJ-NUJGCVRESA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H](C)CC)C[C@]2(C)C1 ZINC001101215359 801975892 /nfs/dbraw/zinc/97/58/92/801975892.db2.gz QDCOCBZFFWHPEA-JZXOWHBKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CCC(=O)N1C[C@H]2C[N@H+](CCC(=C)C)C[C@@]2(C)C1 ZINC001101253410 801976384 /nfs/dbraw/zinc/97/63/84/801976384.db2.gz NVSRATKVMFYDMY-AEFFLSMTSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H](CNC(=O)CC2CC2)[C@H](C)C1 ZINC001101674536 801986322 /nfs/dbraw/zinc/98/63/22/801986322.db2.gz QXYGBSKCYDKGIL-NVXWUHKLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CCC2CC2)[C@H](C)C1 ZINC001101831008 801991865 /nfs/dbraw/zinc/99/18/65/801991865.db2.gz LZUJNYVTXWPYMF-BFYDXBDKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)CC(C)(C)CC)[C@H](C)C1 ZINC001102001265 801997417 /nfs/dbraw/zinc/99/74/17/801997417.db2.gz FEMUTALHQRHBCK-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](CNC(=O)C(C)(C)C(C)(C)C)[C@H](C)C1 ZINC001102229953 802001141 /nfs/dbraw/zinc/00/11/41/802001141.db2.gz LTEKHIGZKBZLRG-HUUCEWRRSA-N 1 1 294.483 3.319 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@@H]1C[N@@H+](CCC(=C)C)C[C@H]1C ZINC001102262487 802003267 /nfs/dbraw/zinc/00/32/67/802003267.db2.gz BEXCEKXISDRKKL-BRWVUGGUSA-N 1 1 292.467 3.239 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1C ZINC001102327436 802004458 /nfs/dbraw/zinc/00/44/58/802004458.db2.gz UHYPKXZNXQXFQL-CWWJUJSXSA-N 1 1 298.858 3.025 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H]1C[N@@H+](CCCCC)C[C@H]1C ZINC001102327205 802004688 /nfs/dbraw/zinc/00/46/88/802004688.db2.gz CMIFBBGZTWPSIK-NUJGCVRESA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)C2(CCCC)CC2)[C@H](C)C1 ZINC001102325133 802004942 /nfs/dbraw/zinc/00/49/42/802004942.db2.gz CYABTBDPOGRSRY-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NC[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C ZINC001102263007 802005417 /nfs/dbraw/zinc/00/54/17/802005417.db2.gz RQQZLXWQFBXRCK-GVDBMIGSSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)CC(C)C)[C@H](C)C1 ZINC001102486046 802010512 /nfs/dbraw/zinc/01/05/12/802010512.db2.gz OATRMTWOLBHERK-BRWVUGGUSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2CC2)C1 ZINC001102633654 802015098 /nfs/dbraw/zinc/01/50/98/802015098.db2.gz BQBOZSZALLONNG-BFYDXBDKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC2CCC2)C1 ZINC001102834223 802020923 /nfs/dbraw/zinc/02/09/23/802020923.db2.gz CASLPAFNWYVBEK-NVXWUHKLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC001103306519 802029310 /nfs/dbraw/zinc/02/93/10/802029310.db2.gz KHISMYZLATYJME-HUUCEWRRSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](F)C(C)C)C1 ZINC001103337027 802030253 /nfs/dbraw/zinc/03/02/53/802030253.db2.gz GAXLSZYIFFOOIS-BZUAXINKSA-N 1 1 298.446 3.021 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NCC[C@@H]1C[N@@H+](CC2CC2)C[C@H]1C ZINC001103345078 802031082 /nfs/dbraw/zinc/03/10/82/802031082.db2.gz ZSNYFEYBHRDRTC-ZMSDIMECSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC1(C(=O)NCC[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)CCC1 ZINC001103404484 802032936 /nfs/dbraw/zinc/03/29/36/802032936.db2.gz IFZHOFAIIUQERT-HZPDHXFCSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H](CC)C(C)C)C1 ZINC001103655163 802037998 /nfs/dbraw/zinc/03/79/98/802037998.db2.gz SJUYXZKRSIOEPY-IXDOHACOSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCCC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(C)=O)CC1 ZINC001105383275 802057375 /nfs/dbraw/zinc/05/73/75/802057375.db2.gz WPUUEDHDCGMOHH-KRWDZBQOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)CC3CCC3)CCC[C@@H]12 ZINC001107350293 802085476 /nfs/dbraw/zinc/08/54/76/802085476.db2.gz HCOIDXFDKOIKPA-SJLPKXTDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@](C)(C=C)CC)CCC[C@@H]12 ZINC001107536743 802089639 /nfs/dbraw/zinc/08/96/39/802089639.db2.gz ZETCYJSXQMQWLS-KBAYOESNSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCC1)C2 ZINC001108843139 802102154 /nfs/dbraw/zinc/10/21/54/802102154.db2.gz DBIXANCPXUZFFM-IKGGRYGDSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(F)=C(C)C)C2 ZINC001109153002 802109807 /nfs/dbraw/zinc/10/98/07/802109807.db2.gz GPHQDCXOONOAMZ-XGUBFFRZSA-N 1 1 294.414 3.326 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CC)CCC1)C2 ZINC001109629510 802120359 /nfs/dbraw/zinc/12/03/59/802120359.db2.gz JGXBOJAZJFDUIU-PMPSAXMXSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC(C)C)C2 ZINC001109753103 802123052 /nfs/dbraw/zinc/12/30/52/802123052.db2.gz IYXSSKHZOYFHKY-PMPSAXMXSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CCC(C)(C)C)C2 ZINC001109981632 802129849 /nfs/dbraw/zinc/12/98/49/802129849.db2.gz WYKAPYSVZJQWGV-WCVJEAGWSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC/C=C/CCC ZINC001110379191 802138539 /nfs/dbraw/zinc/13/85/39/802138539.db2.gz ZPAZHSWTUGSTIO-WUOOCDQJSA-N 1 1 290.451 3.421 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(F)=C(C)C)C2 ZINC001110447489 802142180 /nfs/dbraw/zinc/14/21/80/802142180.db2.gz GPHQDCXOONOAMZ-TUVASFSCSA-N 1 1 294.414 3.326 20 30 CGEDMO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)/C(C)=C\C)C2 ZINC001110435391 802143212 /nfs/dbraw/zinc/14/32/12/802143212.db2.gz KVZXLKUNERHUSJ-HHRGITHHSA-N 1 1 290.451 3.421 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(C)C ZINC001110595506 802145163 /nfs/dbraw/zinc/14/51/63/802145163.db2.gz UFBMHXLKVUYCOK-MCIONIFRSA-N 1 1 298.858 3.143 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC/C=C\CC ZINC001110609618 802145789 /nfs/dbraw/zinc/14/57/89/802145789.db2.gz NTLRANWSOABOIQ-VSUWIJLXSA-N 1 1 290.451 3.421 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC ZINC001110603759 802146496 /nfs/dbraw/zinc/14/64/96/802146496.db2.gz RZTYZWPWGMMYSN-KFWWJZLASA-N 1 1 278.440 3.110 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1 ZINC001110603456 802147393 /nfs/dbraw/zinc/14/73/93/802147393.db2.gz DZRCKHCAHVTPIF-OAGGEKHMSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](F)CC)C2 ZINC001110905245 802148625 /nfs/dbraw/zinc/14/86/25/802148625.db2.gz LYUGNVDKLJMJDR-FPCVCCKLSA-N 1 1 296.430 3.202 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](F)CC ZINC001111073729 802154918 /nfs/dbraw/zinc/15/49/18/802154918.db2.gz UKSZHHMHPZGKCJ-TUVASFSCSA-N 1 1 296.430 3.058 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](F)CC ZINC001111073729 802154921 /nfs/dbraw/zinc/15/49/21/802154921.db2.gz UKSZHHMHPZGKCJ-TUVASFSCSA-N 1 1 296.430 3.058 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)CC(C)C)C2 ZINC001111192849 802156839 /nfs/dbraw/zinc/15/68/39/802156839.db2.gz XAEXPEUXISHJSZ-HZMVEIRTSA-N 1 1 292.467 3.356 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](CC)C(C)C)C2 ZINC001111296834 802158285 /nfs/dbraw/zinc/15/82/85/802158285.db2.gz XTNUIWZRLJXODK-VQHPVUNQSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CC[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC)c1ccccc1 ZINC001111436783 802161354 /nfs/dbraw/zinc/16/13/54/802161354.db2.gz XLHQHOOFUPOWFR-TVFCKZIOSA-N 1 1 298.430 3.088 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)C(C)C)C1 ZINC001111889918 802171139 /nfs/dbraw/zinc/17/11/39/802171139.db2.gz JAYDMGXBUUIGEN-BQFCYCMXSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[NH+]1CCN(c2cc(Cl)nc3sccc32)CC1 ZINC001165031906 806966993 /nfs/dbraw/zinc/96/69/93/806966993.db2.gz YZFUGCRAIJIMAP-UHFFFAOYSA-N 1 1 293.823 3.258 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)C[C@@H](C)CC(C)(C)C)CC1 ZINC001113380945 802216731 /nfs/dbraw/zinc/21/67/31/802216731.db2.gz WWNFZHLOVBQDGG-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)CCCCCC(C)C)CC1 ZINC001113406110 802220574 /nfs/dbraw/zinc/22/05/74/802220574.db2.gz VFNCPZBHWNKQOJ-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCCC[NH+]1CCN(C(=O)c2cc3ccccc3o2)CC1 ZINC001113605144 802230011 /nfs/dbraw/zinc/23/00/11/802230011.db2.gz HUKYTRXKLKRGGU-UHFFFAOYSA-N 1 1 298.386 3.157 20 30 CGEDMO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3cccc(C)c3)C[C@H]21 ZINC001114026265 802237394 /nfs/dbraw/zinc/23/73/94/802237394.db2.gz ZBYOYFVFFOZEFX-ITQYTPKQSA-N 1 1 298.430 3.069 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(C)=C(C)C ZINC001114704598 802243615 /nfs/dbraw/zinc/24/36/15/802243615.db2.gz LIEOJIFHXQPPQC-LISAXSMJSA-N 1 1 290.451 3.134 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CCC)C(C)C ZINC001114909593 802247501 /nfs/dbraw/zinc/24/75/01/802247501.db2.gz CYTMVCNLYBMYLR-NCOADZHNSA-N 1 1 292.467 3.071 20 30 CGEDMO C#C[C@H]1CCCN(c2ccc([C@@H]3CCCC[N@@H+]3CC)cn2)C1 ZINC001165135652 806971309 /nfs/dbraw/zinc/97/13/09/806971309.db2.gz GRSFVBINBQUXFM-WMZOPIPTSA-N 1 1 297.446 3.478 20 30 CGEDMO COc1cccc2cc(C[NH2+]Cc3ccc(C#N)o3)oc21 ZINC001116449141 802354665 /nfs/dbraw/zinc/35/46/65/802354665.db2.gz FQGUFQRDBZHSMM-UHFFFAOYSA-N 1 1 282.299 3.196 20 30 CGEDMO CC(C)c1noc([C@H]2CCC[N@H+]([C@H](C)CCCC#N)C2)n1 ZINC001172501428 808356955 /nfs/dbraw/zinc/35/69/55/808356955.db2.gz QEEQSMOLHNEWOR-KGLIPLIRSA-N 1 1 290.411 3.455 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCCN(c2ccc(F)cc2)CC1 ZINC001172501473 808357034 /nfs/dbraw/zinc/35/70/34/808357034.db2.gz DCQXLWDFGGRKNS-HNNXBMFYSA-N 1 1 289.398 3.420 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](CC/C=C\c2ccccc2)C1 ZINC001117801087 802499452 /nfs/dbraw/zinc/49/94/52/802499452.db2.gz BWUFSILQNGTYCI-XBMZPMPPSA-N 1 1 257.377 3.367 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](CCSc2cccc(OC)c2)C1 ZINC001118496345 802577755 /nfs/dbraw/zinc/57/77/55/802577755.db2.gz VKPAAWGWAOEQAP-HNNXBMFYSA-N 1 1 293.432 3.064 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC001118640306 802591947 /nfs/dbraw/zinc/59/19/47/802591947.db2.gz HRARCOKGKHULNK-MRXNPFEDSA-N 1 1 278.399 3.477 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](C[C@@H]2CCc3ccccc3C2)C1 ZINC001119292671 802643207 /nfs/dbraw/zinc/64/32/07/802643207.db2.gz DEFMZZROUQRRFE-QAPCUYQASA-N 1 1 271.404 3.068 20 30 CGEDMO C[N@@H+](CCCCC1(C#N)CCC1)[C@H]1CC[C@H](O)CC1 ZINC001119760678 802697438 /nfs/dbraw/zinc/69/74/38/802697438.db2.gz GRWLFUSTVMLDGX-SHTZXODSSA-N 1 1 264.413 3.086 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)C[C@@](O)(CC)C(F)(F)F ZINC001119776268 802700203 /nfs/dbraw/zinc/70/02/03/802700203.db2.gz JQADLWAUMHSTGZ-ZDUSSCGKSA-N 1 1 291.313 3.014 20 30 CGEDMO C[C@@H]([NH2+]Cc1cccc(C#N)n1)c1ccccc1Cl ZINC001181418206 810051684 /nfs/dbraw/zinc/05/16/84/810051684.db2.gz KBJARSXQMUSCML-LLVKDONJSA-N 1 1 271.751 3.457 20 30 CGEDMO C=CC[C@@H]([NH2+][C@@H]1CCCC(C)(C)CC1)C(=O)OCC ZINC001181454826 810054149 /nfs/dbraw/zinc/05/41/49/810054149.db2.gz GTTKCMLFGPMCIE-ZIAGYGMSSA-N 1 1 267.413 3.443 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCCC)C1 ZINC001120321151 802739639 /nfs/dbraw/zinc/73/96/39/802739639.db2.gz WKLGRKUPOLMMHO-IAGOWNOFSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CC)C1 ZINC001120391854 802743796 /nfs/dbraw/zinc/74/37/96/802743796.db2.gz HYHBGSVFVJDXTC-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001120649128 802756996 /nfs/dbraw/zinc/75/69/96/802756996.db2.gz YBGDFCRNCHODBA-MRXNPFEDSA-N 1 1 278.440 3.256 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)c2ccc(C)o2)CC[C@H]1C ZINC001131768720 803343546 /nfs/dbraw/zinc/34/35/46/803343546.db2.gz STPBYADMPUJZTQ-UKRRQHHQSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)CCSCC)CC[C@H]1C ZINC001131847387 803352149 /nfs/dbraw/zinc/35/21/49/803352149.db2.gz CAYCRYXHHJVWAG-CABCVRRESA-N 1 1 298.496 3.065 20 30 CGEDMO C#CCCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCC(=C)C)C1 ZINC001131971281 803362393 /nfs/dbraw/zinc/36/23/93/803362393.db2.gz FKJQQGYFVSYHPW-SJORKVTESA-N 1 1 290.451 3.115 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)CC(C)(C)C2CC2)CC[C@@H]1C ZINC001132006190 803366316 /nfs/dbraw/zinc/36/63/16/803366316.db2.gz HDKTZWFMPXYLLW-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCCC)C1 ZINC001132071483 803370866 /nfs/dbraw/zinc/37/08/66/803370866.db2.gz BDXBTJUBKSUYTL-GJZGRUSLSA-N 1 1 266.429 3.112 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](CCC(=C)C)C1 ZINC001132228727 803383861 /nfs/dbraw/zinc/38/38/61/803383861.db2.gz VSRBHCCENFIJJF-CABCVRRESA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC=C(C)C)C1 ZINC001132248599 803387762 /nfs/dbraw/zinc/38/77/62/803387762.db2.gz HAODONQRXZBNSF-HZPDHXFCSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCC[N@H+]1C[C@H](NC(=O)C(C)(C)CCC)CC[C@H]1C ZINC001132253798 803388932 /nfs/dbraw/zinc/38/89/32/803388932.db2.gz ZOOMQTVSHDZPNF-HUUCEWRRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@H+]1C[C@H](NC(=O)C2(C(C)C)CC2)CC[C@H]1C ZINC001132274420 803389826 /nfs/dbraw/zinc/38/98/26/803389826.db2.gz TWEKLLYQFDVESO-HZPDHXFCSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CCC2CC2)C1 ZINC001132332021 803396618 /nfs/dbraw/zinc/39/66/18/803396618.db2.gz RACQOYXRZDKKEW-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](CCC2CC2)C1 ZINC001132332022 803396821 /nfs/dbraw/zinc/39/68/21/803396821.db2.gz RACQOYXRZDKKEW-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCC2(C)CC2)CC[C@H]1C ZINC001132413710 803402466 /nfs/dbraw/zinc/40/24/66/803402466.db2.gz GDIXTTQWNLLROW-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CCF)C2)CCCC1 ZINC001132545557 803413140 /nfs/dbraw/zinc/41/31/40/803413140.db2.gz CHBLITYXSOKMPX-LSDHHAIUSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CCF)C2)CCCC1 ZINC001132545557 803413145 /nfs/dbraw/zinc/41/31/45/803413145.db2.gz CHBLITYXSOKMPX-LSDHHAIUSA-N 1 1 296.430 3.062 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1-c1cccc(C#N)c1C ZINC001244814862 803533941 /nfs/dbraw/zinc/53/39/41/803533941.db2.gz IWTDNTNCZCNAEM-UHFFFAOYSA-N 1 1 251.333 3.303 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cnc2c(C)cccn12 ZINC001136966096 803663532 /nfs/dbraw/zinc/66/35/32/803663532.db2.gz NLPAOLPZNSUTFW-UHFFFAOYSA-N 1 1 257.381 3.431 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)CCC1(F)F ZINC001137115368 803685148 /nfs/dbraw/zinc/68/51/48/803685148.db2.gz KSLHNVNJWGYWLG-ZDUSSCGKSA-N 1 1 294.345 3.456 20 30 CGEDMO Cc1cc(C)c(C[N@H+](C)Cc2cccc(C#N)c2)[nH]1 ZINC001137331967 803716272 /nfs/dbraw/zinc/71/62/72/803716272.db2.gz AVKJFBKSLLCBFS-UHFFFAOYSA-N 1 1 253.349 3.135 20 30 CGEDMO C=CC[NH+]1CCN(Cc2cccc(-c3ccncc3)c2)CC1 ZINC001137392996 803728007 /nfs/dbraw/zinc/72/80/07/803728007.db2.gz DFQPGCDEBWDDTA-UHFFFAOYSA-N 1 1 293.414 3.052 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@](C)(F)CC2)c(C#N)c1 ZINC001137697928 803759115 /nfs/dbraw/zinc/75/91/15/803759115.db2.gz BQROOBYJHWFXEO-INIZCTEOSA-N 1 1 276.355 3.281 20 30 CGEDMO COc1ccc(C[N@@H+](C)CC2CCCC2)c(C#N)c1 ZINC001137704577 803761374 /nfs/dbraw/zinc/76/13/74/803761374.db2.gz LXPDNBQJJJSFMB-UHFFFAOYSA-N 1 1 258.365 3.189 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)c(F)c1F ZINC001137970170 803813231 /nfs/dbraw/zinc/81/32/31/803813231.db2.gz YNCBRHOWZJYKHR-LBPRGKRZSA-N 1 1 264.319 3.399 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)c(F)c1F ZINC001137970170 803813240 /nfs/dbraw/zinc/81/32/40/803813240.db2.gz YNCBRHOWZJYKHR-LBPRGKRZSA-N 1 1 264.319 3.399 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2cc3c(cc2Cl)OCO3)CC1 ZINC001138244999 803880741 /nfs/dbraw/zinc/88/07/41/803880741.db2.gz PELCGDGFGJSOOL-NSHDSACASA-N 1 1 292.766 3.194 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2cc3c(cc2Cl)OCO3)CC1 ZINC001138244999 803880750 /nfs/dbraw/zinc/88/07/50/803880750.db2.gz PELCGDGFGJSOOL-NSHDSACASA-N 1 1 292.766 3.194 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCCC2(C)C)cc1OC ZINC001138341123 803898086 /nfs/dbraw/zinc/89/80/86/803898086.db2.gz ICLDYXBKAABUOG-UHFFFAOYSA-N 1 1 273.376 3.082 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC3(CCC3)C2)cc1OC ZINC001138346377 803898427 /nfs/dbraw/zinc/89/84/27/803898427.db2.gz AWICYZVXEZETBS-UHFFFAOYSA-N 1 1 285.387 3.083 20 30 CGEDMO CCc1cccc2c(C[N@@H+]3CCC[C@@H](C#N)C3)c[nH]c21 ZINC001138366164 803905992 /nfs/dbraw/zinc/90/59/92/803905992.db2.gz ROGGEJVLRPNUIJ-ZDUSSCGKSA-N 1 1 267.376 3.466 20 30 CGEDMO CCc1cccc2c(C[N@H+]3CCC[C@@H](C#N)C3)c[nH]c21 ZINC001138366164 803905996 /nfs/dbraw/zinc/90/59/96/803905996.db2.gz ROGGEJVLRPNUIJ-ZDUSSCGKSA-N 1 1 267.376 3.466 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1cc(OC)c(OC)cc1C ZINC001138442803 803938504 /nfs/dbraw/zinc/93/85/04/803938504.db2.gz SJNAZXXWXOOJGA-UHFFFAOYSA-N 1 1 276.380 3.138 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1cc(OC)c(OC)cc1C ZINC001138442803 803938508 /nfs/dbraw/zinc/93/85/08/803938508.db2.gz SJNAZXXWXOOJGA-UHFFFAOYSA-N 1 1 276.380 3.138 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2c[nH]c3ccc(OC)cc23)C1 ZINC001138510064 803955307 /nfs/dbraw/zinc/95/53/07/803955307.db2.gz NDGZLRZPRYIIBW-ZDUSSCGKSA-N 1 1 268.360 3.022 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CC[C@@H](c3ccncc3)C2)cc1 ZINC001138559382 803968494 /nfs/dbraw/zinc/96/84/94/803968494.db2.gz SQHZIERDALZLNC-GOSISDBHSA-N 1 1 292.382 3.083 20 30 CGEDMO C#CCOc1ccc(C[N@@H+](C)CCCCC=C)cc1 ZINC001138560387 803969320 /nfs/dbraw/zinc/96/93/20/803969320.db2.gz UXPVARCWKHMVRV-UHFFFAOYSA-N 1 1 257.377 3.487 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](Cc2ccccc2N2CCCC2)C1 ZINC001138615979 803980458 /nfs/dbraw/zinc/98/04/58/803980458.db2.gz QWIGBYJFDKYANY-QGZVFWFLSA-N 1 1 269.392 3.022 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](Cc2ccccc2N2CCCC2)C1 ZINC001138615979 803980463 /nfs/dbraw/zinc/98/04/63/803980463.db2.gz QWIGBYJFDKYANY-QGZVFWFLSA-N 1 1 269.392 3.022 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1CCn2cccc2C1 ZINC001138664667 803996566 /nfs/dbraw/zinc/99/65/66/803996566.db2.gz UJXJZDQHSZYPPV-UHFFFAOYSA-N 1 1 282.387 3.459 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CCn2cccc2C1 ZINC001138664667 803996574 /nfs/dbraw/zinc/99/65/74/803996574.db2.gz UJXJZDQHSZYPPV-UHFFFAOYSA-N 1 1 282.387 3.459 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccnc(Cl)c1 ZINC001138821040 804048254 /nfs/dbraw/zinc/04/82/54/804048254.db2.gz XHFXSKSOJNETRQ-XYYAHUGASA-N 1 1 261.756 3.002 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccnc(Cl)c1 ZINC001138821040 804048261 /nfs/dbraw/zinc/04/82/61/804048261.db2.gz XHFXSKSOJNETRQ-XYYAHUGASA-N 1 1 261.756 3.002 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(OC(=O)CC)cc1 ZINC001138965593 804089500 /nfs/dbraw/zinc/08/95/00/804089500.db2.gz WQDKUXGGNCPHSC-UHFFFAOYSA-N 1 1 261.365 3.400 20 30 CGEDMO CCCCCCCCCc1cc(=O)n(CCC[NH3+])[nH]1 ZINC001245955101 804090515 /nfs/dbraw/zinc/09/05/15/804090515.db2.gz SHZAVVSMAAEGGK-UHFFFAOYSA-N 1 1 267.417 3.231 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[NH2+]C1(CN)CCC1 ZINC001246012278 804098830 /nfs/dbraw/zinc/09/88/30/804098830.db2.gz XSSLIJDHIDYHSU-MRXNPFEDSA-N 1 1 284.488 3.349 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc3ccn(C)c3c2)C1 ZINC001139207041 804163820 /nfs/dbraw/zinc/16/38/20/804163820.db2.gz QTUFTLUEWPEDND-AWEZNQCLSA-N 1 1 252.361 3.024 20 30 CGEDMO Cc1c[nH+]c(Nc2ccc(C3(C#N)CC3)cc2)c(N)c1 ZINC001212247675 814996327 /nfs/dbraw/zinc/99/63/27/814996327.db2.gz QAFSUKYHWSXTGZ-UHFFFAOYSA-N 1 1 264.332 3.271 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc3cc(O)ccc3c2)C1 ZINC001139339046 804177990 /nfs/dbraw/zinc/17/79/90/804177990.db2.gz MFDYWLYENKJDKJ-AWEZNQCLSA-N 1 1 265.356 3.391 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1c2ccccc2[nH]c1C(=O)OC ZINC001139399351 804187359 /nfs/dbraw/zinc/18/73/59/804187359.db2.gz FEDUGFJUXZELDD-UHFFFAOYSA-N 1 1 286.375 3.353 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@H](C#N)CC2)ccc1N(C)C ZINC001139673143 804248395 /nfs/dbraw/zinc/24/83/95/804248395.db2.gz QFUIEYHMAPMHCA-HNNXBMFYSA-N 1 1 271.408 3.187 20 30 CGEDMO CO[C@@H]1CC[N@H+](Cc2cccc(Cl)c2C#N)[C@@H](C)C1 ZINC001139693192 804256014 /nfs/dbraw/zinc/25/60/14/804256014.db2.gz SKLXIVGVNNUXPY-WCQYABFASA-N 1 1 278.783 3.211 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2C#N)[C@@H](C)C1 ZINC001139693192 804256024 /nfs/dbraw/zinc/25/60/24/804256024.db2.gz SKLXIVGVNNUXPY-WCQYABFASA-N 1 1 278.783 3.211 20 30 CGEDMO C[C@H]1CCCC[N@H+]1Cc1c[nH]c2c1cccc2C#N ZINC001139701723 804257650 /nfs/dbraw/zinc/25/76/50/804257650.db2.gz OKQLOWQANUVKBZ-LBPRGKRZSA-N 1 1 253.349 3.414 20 30 CGEDMO Cc1ccc(C[N@H+](C(C)C)C2CCN(C)CC2)cc1C#N ZINC001139727792 804269656 /nfs/dbraw/zinc/26/96/56/804269656.db2.gz YOOGIINVFQZGHR-UHFFFAOYSA-N 1 1 285.435 3.171 20 30 CGEDMO CCCCCCCC[C@H](CCC)[NH2+][C@H]1CNC[C@H]1CO ZINC001246307773 804271111 /nfs/dbraw/zinc/27/11/11/804271111.db2.gz NFPGKTMRCOVFDW-ULQDDVLXSA-N 1 1 284.488 3.076 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cnc2cccnc2c1 ZINC001139742283 804271800 /nfs/dbraw/zinc/27/18/00/804271800.db2.gz VXFIYOQPPBCEMS-UHFFFAOYSA-N 1 1 288.354 3.133 20 30 CGEDMO C=CCn1cc(C[N@H+](CCC)Cc2ccccc2)cn1 ZINC001139770248 804277368 /nfs/dbraw/zinc/27/73/68/804277368.db2.gz ITVHGTWRLWKMBQ-UHFFFAOYSA-N 1 1 269.392 3.481 20 30 CGEDMO C=CCn1cc(C[N@@H+](C)Cc2ccc(Cl)cc2)cn1 ZINC001139770187 804277599 /nfs/dbraw/zinc/27/75/99/804277599.db2.gz GRQWVEPTXBSYOC-UHFFFAOYSA-N 1 1 275.783 3.355 20 30 CGEDMO C=CCn1cc(C[N@H+](C)Cc2ccc(Cl)cc2)cn1 ZINC001139770187 804277607 /nfs/dbraw/zinc/27/76/07/804277607.db2.gz GRQWVEPTXBSYOC-UHFFFAOYSA-N 1 1 275.783 3.355 20 30 CGEDMO C=CCn1cc(C[N@H+]2CC[C@H](C3CCCCC3)C2)cn1 ZINC001139772422 804278722 /nfs/dbraw/zinc/27/87/22/804278722.db2.gz JLEXCYQUMRGXQW-KRWDZBQOSA-N 1 1 273.424 3.471 20 30 CGEDMO CCCCCCCC[C@H](CC)[NH2+][C@@H]1CCNC[C@@H]1CO ZINC001246319066 804279168 /nfs/dbraw/zinc/27/91/68/804279168.db2.gz CJDSJOOEJCGYHX-IXDOHACOSA-N 1 1 284.488 3.076 20 30 CGEDMO CCCCCCCC[C@@H](CCC)[NH2+][C@@H]1CCNC[C@@H]1CO ZINC001246324688 804282464 /nfs/dbraw/zinc/28/24/64/804282464.db2.gz ZGDDAMQZKCEMSG-KZNAEPCWSA-N 1 1 298.515 3.466 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cc(F)c(C)cc2F)no1 ZINC001212325358 815005797 /nfs/dbraw/zinc/00/57/97/815005797.db2.gz PUUWGUAWRUIZAU-ZDUSSCGKSA-N 1 1 291.301 3.127 20 30 CGEDMO CCCCCCC[N@@H+](CC)Cc1ccnc(NC)n1 ZINC001140043484 804358003 /nfs/dbraw/zinc/35/80/03/804358003.db2.gz YGBIPBUXEHNDKV-UHFFFAOYSA-N 1 1 264.417 3.311 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]c2cccc(O)c12 ZINC001140234630 804403874 /nfs/dbraw/zinc/40/38/74/804403874.db2.gz DNEFCWXLNFWGJG-DEZZGGKRSA-N 1 1 281.359 3.140 20 30 CGEDMO CCCCCCC[C@H](C)[N@@H+]1CC[C@@H](F)[C@@H](N)CC1 ZINC001246596078 804437049 /nfs/dbraw/zinc/43/70/49/804437049.db2.gz YTVBSSLKCZWWPZ-ZNMIVQPWSA-N 1 1 258.425 3.497 20 30 CGEDMO CCCCCCCC[C@H](CC)[N@H+]1CCNC[C@H]1COC ZINC001246597073 804436612 /nfs/dbraw/zinc/43/66/12/804436612.db2.gz QXNGTPIFIHHONG-IRXDYDNUSA-N 1 1 284.488 3.436 20 30 CGEDMO CCCCCCCC[C@H](CC)N1CC[NH2+]C[C@H]1COC ZINC001246597073 804436616 /nfs/dbraw/zinc/43/66/16/804436616.db2.gz QXNGTPIFIHHONG-IRXDYDNUSA-N 1 1 284.488 3.436 20 30 CGEDMO N#Cc1ccc(Cl)c(C[NH+]2CCC(F)CC2)c1 ZINC001140599906 804472034 /nfs/dbraw/zinc/47/20/34/804472034.db2.gz WHIWDDYDPMLFKV-UHFFFAOYSA-N 1 1 252.720 3.146 20 30 CGEDMO COc1cccc(Cl)c1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001140728525 804499514 /nfs/dbraw/zinc/49/95/14/804499514.db2.gz CEVPZCZRZCAUJC-GFCCVEGCSA-N 1 1 278.783 3.474 20 30 CGEDMO COc1cccc(Cl)c1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001140728525 804499518 /nfs/dbraw/zinc/49/95/18/804499518.db2.gz CEVPZCZRZCAUJC-GFCCVEGCSA-N 1 1 278.783 3.474 20 30 CGEDMO CCC1CC[NH+](Cc2cc(F)c(C#N)c(F)c2)CC1 ZINC001140752236 804504824 /nfs/dbraw/zinc/50/48/24/804504824.db2.gz HYECUGGABQQURW-UHFFFAOYSA-N 1 1 264.319 3.458 20 30 CGEDMO N#CC[C@@H]1CCCN([C@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256919352 807012360 /nfs/dbraw/zinc/01/23/60/807012360.db2.gz CWURJRMSSAXXHQ-RDJZCZTQSA-N 1 1 275.440 3.019 20 30 CGEDMO CC[N@@H+](C)C1CCN(Cc2cccc(C#N)c2Cl)CC1 ZINC001140814914 804527427 /nfs/dbraw/zinc/52/74/27/804527427.db2.gz UJVRERSJOFIKPY-UHFFFAOYSA-N 1 1 291.826 3.128 20 30 CGEDMO COc1ccc(C[N@@H+]2CCC[C@@H](C#N)CC2)c(Cl)c1 ZINC001140822509 804528683 /nfs/dbraw/zinc/52/86/83/804528683.db2.gz VFBRFHZOMAPECE-GFCCVEGCSA-N 1 1 278.783 3.474 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@@H](C#N)CC2)c(Cl)c1 ZINC001140822509 804528686 /nfs/dbraw/zinc/52/86/86/804528686.db2.gz VFBRFHZOMAPECE-GFCCVEGCSA-N 1 1 278.783 3.474 20 30 CGEDMO CC[N@@H+](Cc1ccccc1O)C1CCC(C#N)CC1 ZINC001256973775 807022787 /nfs/dbraw/zinc/02/27/87/807022787.db2.gz YDZNNGZKCFPMKO-UHFFFAOYSA-N 1 1 258.365 3.296 20 30 CGEDMO C=CC[N@@H+](Cc1c[nH]nc1C(F)(F)F)C(C)(C)C ZINC001141018427 804570818 /nfs/dbraw/zinc/57/08/18/804570818.db2.gz WCDZEKGPHCFKHX-UHFFFAOYSA-N 1 1 261.291 3.215 20 30 CGEDMO C=CCN1CC[NH+](Cc2ccc(-c3ccccn3)s2)CC1 ZINC001141001004 804566525 /nfs/dbraw/zinc/56/65/25/804566525.db2.gz SYUTVLXZRKMUSG-UHFFFAOYSA-N 1 1 299.443 3.114 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2ccc3cccc(O)c3n2)CC1 ZINC001141021358 804573558 /nfs/dbraw/zinc/57/35/58/804573558.db2.gz DTFNETDPFODQBL-ZDUSSCGKSA-N 1 1 281.359 3.066 20 30 CGEDMO C[N@H+](Cc1sc(N)c(C#N)c1Cl)CC1CCCC1 ZINC001141114172 804592043 /nfs/dbraw/zinc/59/20/43/804592043.db2.gz GPMOKUKPVADEMO-UHFFFAOYSA-N 1 1 283.828 3.477 20 30 CGEDMO CC(C)[C@H]1CCC[N@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141112848 804592167 /nfs/dbraw/zinc/59/21/67/804592167.db2.gz OTFRUFQJAHUDKP-SNVBAGLBSA-N 1 1 283.828 3.476 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141109457 804592310 /nfs/dbraw/zinc/59/23/10/804592310.db2.gz RMWPYRKWTJUXEN-MRVPVSSYSA-N 1 1 269.801 3.230 20 30 CGEDMO CCCCCCCCC[C@H](C)[N@H+]1CC[C@@](N)(C(=O)OC)C1 ZINC001246919328 804601001 /nfs/dbraw/zinc/60/10/01/804601001.db2.gz HHXYNCCMOJMHJL-RDJZCZTQSA-N 1 1 298.471 3.092 20 30 CGEDMO C[Si](C)(C)c1ccc(C[N@H+]2CCC[C@H](C#N)CC2)cc1 ZINC001141732042 804665180 /nfs/dbraw/zinc/66/51/80/804665180.db2.gz AIZPJPZAORLMJV-HNNXBMFYSA-N 1 1 286.495 3.357 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(C#N)c(SC)n1 ZINC001141941598 804680612 /nfs/dbraw/zinc/68/06/12/804680612.db2.gz QBADDXPREXHCFJ-UHFFFAOYSA-N 1 1 261.394 3.073 20 30 CGEDMO CSc1nc(C[N@H+]2C[C@@H](C)CC23CC3)ccc1C#N ZINC001141943813 804681776 /nfs/dbraw/zinc/68/17/76/804681776.db2.gz LZJAAWWHOIJYNW-NSHDSACASA-N 1 1 273.405 3.050 20 30 CGEDMO C[C@H]([NH3+])c1nc(-c2ccc(-c3ccc(C#N)cc3)cc2)no1 ZINC001247595227 804778425 /nfs/dbraw/zinc/77/84/25/804778425.db2.gz ZPUKFRQVMQOZSM-NSHDSACASA-N 1 1 290.326 3.295 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cccc3occc32)no1 ZINC001247622186 804782743 /nfs/dbraw/zinc/78/27/43/804782743.db2.gz HXQLGYVIFGQALF-GFCCVEGCSA-N 1 1 269.304 3.449 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2ccc(OC)cc2C)no1 ZINC001247622068 804782751 /nfs/dbraw/zinc/78/27/51/804782751.db2.gz DYIMOYFVHUCHSX-CYBMUJFWSA-N 1 1 273.336 3.020 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cc(Cl)cc(OC)c2)no1 ZINC001247622667 804782897 /nfs/dbraw/zinc/78/28/97/804782897.db2.gz QAHFHEVEGFDFHS-GFCCVEGCSA-N 1 1 293.754 3.365 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2cc(Cl)cc(OC)c2)no1 ZINC001247622669 804782922 /nfs/dbraw/zinc/78/29/22/804782922.db2.gz QAHFHEVEGFDFHS-LBPRGKRZSA-N 1 1 293.754 3.365 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)CC[C@]1(C)O ZINC001142912117 804782923 /nfs/dbraw/zinc/78/29/23/804782923.db2.gz VIQMZKUIEWIIAJ-UGSOOPFHSA-N 1 1 297.402 3.022 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2ccccc2OC(C)C)no1 ZINC001247622077 804783608 /nfs/dbraw/zinc/78/36/08/804783608.db2.gz FHLTUBOTWHAJGN-ZDUSSCGKSA-N 1 1 287.363 3.490 20 30 CGEDMO CC1(C)CCC[N@H+]1Cc1c[nH]c2cc(C#N)ccc12 ZINC001142912151 804783943 /nfs/dbraw/zinc/78/39/43/804783943.db2.gz WIGPFVHZTLJTMI-UHFFFAOYSA-N 1 1 253.349 3.414 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2c(C)cc(OC)cc2C)C1 ZINC001142942328 804787647 /nfs/dbraw/zinc/78/76/47/804787647.db2.gz PYWMLFRYNRTOSJ-HNNXBMFYSA-N 1 1 257.377 3.157 20 30 CGEDMO C=CC[N@@H+](Cc1cc2c(cn1)OCCO2)C1CCCCC1 ZINC001143070012 804797940 /nfs/dbraw/zinc/79/79/40/804797940.db2.gz DJBZOVHIISSOLJ-UHFFFAOYSA-N 1 1 288.391 3.174 20 30 CGEDMO COc1cc(C)cc(C[N@H+]2CCC[C@H](C#N)CC2)c1 ZINC001143156235 804811384 /nfs/dbraw/zinc/81/13/84/804811384.db2.gz HVZJVSVGFSUROT-AWEZNQCLSA-N 1 1 258.365 3.129 20 30 CGEDMO C/C(=N\O)c1ccc(NCC[C@H]2CCC[N@H+](C)C2)cc1 ZINC001165300465 806990358 /nfs/dbraw/zinc/99/03/58/806990358.db2.gz ORUPPBJGMIAFRV-QFGUUYLXSA-N 1 1 275.396 3.029 20 30 CGEDMO CC[C@@H]1CCC[N@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143174329 804816798 /nfs/dbraw/zinc/81/67/98/804816798.db2.gz QFCRKXCQPNMGKB-LLVKDONJSA-N 1 1 264.319 3.458 20 30 CGEDMO CC[C@@H]1CCC[N@@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143174329 804816804 /nfs/dbraw/zinc/81/68/04/804816804.db2.gz QFCRKXCQPNMGKB-LLVKDONJSA-N 1 1 264.319 3.458 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2ccc(F)c(Cl)c2F)no1 ZINC001247967637 804859224 /nfs/dbraw/zinc/85/92/24/804859224.db2.gz PSTSKRATVBJTRU-QMMMGPOBSA-N 1 1 285.681 3.244 20 30 CGEDMO C[C@@]1(CF)CC[N@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143716226 804887392 /nfs/dbraw/zinc/88/73/92/804887392.db2.gz HUUCWTVMEZHKCQ-AWEZNQCLSA-N 1 1 266.747 3.393 20 30 CGEDMO C[C@@]1(CF)CC[N@@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143716226 804887399 /nfs/dbraw/zinc/88/73/99/804887399.db2.gz HUUCWTVMEZHKCQ-AWEZNQCLSA-N 1 1 266.747 3.393 20 30 CGEDMO C#CC1CC[NH+](Cc2c(Cl)ccc(OC)c2F)CC1 ZINC001143900044 804904033 /nfs/dbraw/zinc/90/40/33/804904033.db2.gz YXCKVFAZGQCMOJ-UHFFFAOYSA-N 1 1 281.758 3.333 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)nc1 ZINC001144163189 804946652 /nfs/dbraw/zinc/94/66/52/804946652.db2.gz SZIILAHDLSNBOB-ZBFHGGJFSA-N 1 1 255.365 3.108 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCCC[C@H]1COC ZINC001248748383 804983118 /nfs/dbraw/zinc/98/31/18/804983118.db2.gz HTQLUCISLYKHSY-KRWDZBQOSA-N 1 1 272.392 3.122 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1C[C@@H](C)CC12CC2 ZINC001248752716 804983640 /nfs/dbraw/zinc/98/36/40/804983640.db2.gz XIQNQTGVBPNKPD-ZDUSSCGKSA-N 1 1 254.377 3.495 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@@H+](C)Cc1ccccc1O ZINC001248752271 804983925 /nfs/dbraw/zinc/98/39/25/804983925.db2.gz DYFSFBUUTCUYOZ-UHFFFAOYSA-N 1 1 280.371 3.458 20 30 CGEDMO CCCCCCC[N@@H+](C)Cc1ccc(OC)cn1 ZINC001144423922 804986050 /nfs/dbraw/zinc/98/60/50/804986050.db2.gz QVBWISUHXPOGEW-UHFFFAOYSA-N 1 1 250.386 3.492 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)cc1 ZINC001144573989 805008703 /nfs/dbraw/zinc/00/87/03/805008703.db2.gz XEGLHOXSXBTGBA-ZDUSSCGKSA-N 1 1 253.267 3.052 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc3scnc3c2)C1 ZINC001144739081 805047403 /nfs/dbraw/zinc/04/74/03/805047403.db2.gz SEKIBNQGDNTSBT-LBPRGKRZSA-N 1 1 271.389 3.422 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)/C(C)=C/CC)C2)C1 ZINC001147106288 805110291 /nfs/dbraw/zinc/11/02/91/805110291.db2.gz OFWQUMOCTVFNBF-AHQMPEJBSA-N 1 1 290.451 3.232 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2csc(-c3ccncc3)n2)CC1 ZINC001249298987 805129276 /nfs/dbraw/zinc/12/92/76/805129276.db2.gz KGOOEGHMEDKYIU-ZDUSSCGKSA-N 1 1 298.415 3.331 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2csc(-c3ccncc3)n2)CC1 ZINC001249298987 805129278 /nfs/dbraw/zinc/12/92/78/805129278.db2.gz KGOOEGHMEDKYIU-ZDUSSCGKSA-N 1 1 298.415 3.331 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2cc3ccc(C#N)cc3[nH]2)[C@@H](C)C1 ZINC001249430825 805147893 /nfs/dbraw/zinc/14/78/93/805147893.db2.gz IDXBFAXFKCTMQE-LRDDRELGSA-N 1 1 283.375 3.039 20 30 CGEDMO CC1(C)C[NH+](Cc2cc3ccc(C#N)cc3[nH]2)CC(C)(C)O1 ZINC001249430177 805148021 /nfs/dbraw/zinc/14/80/21/805148021.db2.gz GWFXNIBRJBDTDC-UHFFFAOYSA-N 1 1 297.402 3.429 20 30 CGEDMO CC(C)O[C@@H]1CC[N@@H+](Cc2cc3ccc(C#N)cc3[nH]2)C1 ZINC001249430456 805149127 /nfs/dbraw/zinc/14/91/27/805149127.db2.gz SOKSYNKXKUHMKK-MRXNPFEDSA-N 1 1 283.375 3.039 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC2(C1)CC[N@@H+](CCC(C)C)C2 ZINC001148124849 805164171 /nfs/dbraw/zinc/16/41/71/805164171.db2.gz IGXUVSGPPWAMTR-MRXNPFEDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](C[C@H](C)CC)C2 ZINC001148131952 805164869 /nfs/dbraw/zinc/16/48/69/805164869.db2.gz WVSOXQMAZAKLIN-HZPDHXFCSA-N 1 1 292.467 3.169 20 30 CGEDMO C#CCOc1ccc(Nc2cc[nH+]cc2C(F)(F)F)cc1 ZINC001249593575 805184996 /nfs/dbraw/zinc/18/49/96/805184996.db2.gz QNUJKOXJSOUAQO-UHFFFAOYSA-N 1 1 292.260 3.278 20 30 CGEDMO CCCCCCCNC(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[N@H+]2C1 ZINC001148483389 805188497 /nfs/dbraw/zinc/18/84/97/805188497.db2.gz FGGZMPZUNJMQFK-BZUAXINKSA-N 1 1 280.456 3.193 20 30 CGEDMO Cc1cc(Nc2sc3c(c2C#N)CCC3)c[nH+]c1N ZINC001249782211 805243465 /nfs/dbraw/zinc/24/34/65/805243465.db2.gz QYBNNPWLMDVDTC-UHFFFAOYSA-N 1 1 270.361 3.138 20 30 CGEDMO Cc1cc(Nc2ccc([C@H](C)C#N)cc2)c[nH+]c1N ZINC001249787980 805247522 /nfs/dbraw/zinc/24/75/22/805247522.db2.gz WYERKNKHNUOMIW-LLVKDONJSA-N 1 1 252.321 3.343 20 30 CGEDMO Cc1cc(Nc2cc(C#N)ccc2Cl)c[nH+]c1N ZINC001249788929 805248650 /nfs/dbraw/zinc/24/86/50/805248650.db2.gz SXFBMPGQVOXWLB-UHFFFAOYSA-N 1 1 258.712 3.241 20 30 CGEDMO CCCCCCCCNC(=O)c1ccc(C[NH+](C)C)o1 ZINC001151103530 805283138 /nfs/dbraw/zinc/28/31/38/805283138.db2.gz QGGLCBMMTPMBON-UHFFFAOYSA-N 1 1 280.412 3.432 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(F)cc1 ZINC001151542786 805296045 /nfs/dbraw/zinc/29/60/45/805296045.db2.gz WETRBIBPHYBPDC-CQSZACIVSA-N 1 1 292.398 3.232 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)c1cc(C)oc1C ZINC001151828932 805314189 /nfs/dbraw/zinc/31/41/89/805314189.db2.gz BFXHDMGPMPDNDV-CYBMUJFWSA-N 1 1 292.423 3.303 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C[C@H](C)CCC ZINC001152302291 805342409 /nfs/dbraw/zinc/34/24/09/805342409.db2.gz CLFVYOAWWJTUAW-TZMCWYRMSA-N 1 1 288.863 3.392 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)CCC ZINC001152302291 805342416 /nfs/dbraw/zinc/34/24/16/805342416.db2.gz CLFVYOAWWJTUAW-TZMCWYRMSA-N 1 1 288.863 3.392 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C[C@H](C)C(C)C ZINC001152333163 805345518 /nfs/dbraw/zinc/34/55/18/805345518.db2.gz FXVWZWDNOKXOPL-GXTWGEPZSA-N 1 1 288.863 3.248 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)C(C)C ZINC001152333163 805345527 /nfs/dbraw/zinc/34/55/27/805345527.db2.gz FXVWZWDNOKXOPL-GXTWGEPZSA-N 1 1 288.863 3.248 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)C(C)C ZINC001152333165 805346688 /nfs/dbraw/zinc/34/66/88/805346688.db2.gz FXVWZWDNOKXOPL-TZMCWYRMSA-N 1 1 288.863 3.248 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)C(C)C ZINC001152333165 805346695 /nfs/dbraw/zinc/34/66/95/805346695.db2.gz FXVWZWDNOKXOPL-TZMCWYRMSA-N 1 1 288.863 3.248 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)/C=C/C(C)(C)C ZINC001152426811 805349948 /nfs/dbraw/zinc/34/99/48/805349948.db2.gz VFNAKHPTDLUBCT-SLZMIMFISA-N 1 1 280.456 3.382 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)c1oc(C)cc1C ZINC001152641856 805359892 /nfs/dbraw/zinc/35/98/92/805359892.db2.gz SMMQRLIEKVELSG-CQSZACIVSA-N 1 1 292.423 3.303 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)/C=C(\C)CC ZINC001153240566 805389122 /nfs/dbraw/zinc/38/91/22/805389122.db2.gz DXYRIJVDJGMMGF-OKFGHLOFSA-N 1 1 266.429 3.136 20 30 CGEDMO CCOc1cc(OC)ccc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001250058736 805395904 /nfs/dbraw/zinc/39/59/04/805395904.db2.gz BZLGMXLOUJTLSP-CQSZACIVSA-N 1 1 288.391 3.220 20 30 CGEDMO C=CCC(CC=C)C(=O)NC[C@@H](C)[N@@H+](CC)CC(C)C ZINC001153561356 805402852 /nfs/dbraw/zinc/40/28/52/805402852.db2.gz MUGWMDDFTYTKFN-OAHLLOKOSA-N 1 1 280.456 3.237 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC12CC2 ZINC001154015360 805426801 /nfs/dbraw/zinc/42/68/01/805426801.db2.gz FBYBVGHUWMMZJU-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)CCC1CC1 ZINC001154584642 805464760 /nfs/dbraw/zinc/46/47/60/805464760.db2.gz QUIXTSZNWWZEIB-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CCCCCCC(=O)NC[C@@H](C)[N@@H+](CC)CC[C@@H](C)F ZINC001154609295 805467509 /nfs/dbraw/zinc/46/75/09/805467509.db2.gz ARMFDOWVFDGIAQ-HZPDHXFCSA-N 1 1 298.446 3.145 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)CCC ZINC001154932379 805510027 /nfs/dbraw/zinc/51/00/27/805510027.db2.gz FKZMFKBETKYRLI-CYBMUJFWSA-N 1 1 288.863 3.392 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)CCC ZINC001154932379 805510032 /nfs/dbraw/zinc/51/00/32/805510032.db2.gz FKZMFKBETKYRLI-CYBMUJFWSA-N 1 1 288.863 3.392 20 30 CGEDMO Cc1cccc2ncc(CNc3ccc(CC#N)c(C)[nH+]3)n21 ZINC001154949370 805510963 /nfs/dbraw/zinc/51/09/63/805510963.db2.gz UVCVHRFLPNWNPT-UHFFFAOYSA-N 1 1 291.358 3.024 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H](C)[N@@H+](CC)CC=C(C)C)C1 ZINC001155127259 805542337 /nfs/dbraw/zinc/54/23/37/805542337.db2.gz WFPKGSUHAMMUSE-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO CC(C)(Nc1[nH+]cnc2[nH]ccc21)c1ccc(C#N)cc1 ZINC001165743162 807017357 /nfs/dbraw/zinc/01/73/57/807017357.db2.gz RFFZARNHVTZERS-UHFFFAOYSA-N 1 1 277.331 3.177 20 30 CGEDMO N#CC1CCC([N@H+]2CCC[C@@H]2c2nccs2)CC1 ZINC001256969276 807019880 /nfs/dbraw/zinc/01/98/80/807019880.db2.gz DDAJFWRLZJDGGJ-WXRRBKDZSA-N 1 1 261.394 3.362 20 30 CGEDMO Cc1ccnc(O[C@H]2CCC[N@H+](C3CCC(C#N)CC3)C2)c1 ZINC001256972463 807019962 /nfs/dbraw/zinc/01/99/62/807019962.db2.gz ZAZYJVHUYGDFPS-JCYILVPMSA-N 1 1 299.418 3.316 20 30 CGEDMO C[N@@H+](C1CCC(c2ccc(C#N)cc2)CC1)C(C)(C)CN ZINC001257012252 807025791 /nfs/dbraw/zinc/02/57/91/807025791.db2.gz BULYSDNFTRUHEE-UHFFFAOYSA-N 1 1 285.435 3.254 20 30 CGEDMO CC[C@@H]1C[C@H]([N@@H+](C)CCC#N)CCN1C(=O)OC(C)(C)C ZINC001257124143 807055762 /nfs/dbraw/zinc/05/57/62/807055762.db2.gz ZGPRMCYXYVEPFU-ZIAGYGMSSA-N 1 1 295.427 3.010 20 30 CGEDMO C=CCOCc1ncn2c1C[N@@H+]([C@H](CC)CCC)CCC2 ZINC001257259895 807075455 /nfs/dbraw/zinc/07/54/55/807075455.db2.gz PRMOGYFSABRSIW-OAHLLOKOSA-N 1 1 291.439 3.370 20 30 CGEDMO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](C(CC)CC)C2)C1 ZINC001257294468 807090437 /nfs/dbraw/zinc/09/04/37/807090437.db2.gz NWVLNDARLDAZKM-KRWDZBQOSA-N 1 1 294.439 3.286 20 30 CGEDMO CCCCOC(=O)CC[C@@H](C)[N@H+]1CCC[C@H](CC#N)C1 ZINC001257399519 807136841 /nfs/dbraw/zinc/13/68/41/807136841.db2.gz DAVQOGALRROCLP-HUUCEWRRSA-N 1 1 280.412 3.124 20 30 CGEDMO CC[C@@H](C)[N@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001257444066 807159240 /nfs/dbraw/zinc/15/92/40/807159240.db2.gz RIJGFBZYPGLGCD-CZUORRHYSA-N 1 1 258.365 3.200 20 30 CGEDMO CC[C@H](C)[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001257447965 807161944 /nfs/dbraw/zinc/16/19/44/807161944.db2.gz NXNFOFHEYPSQMI-BBRMVZONSA-N 1 1 258.365 3.200 20 30 CGEDMO C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@H](C)CCCCC)C1 ZINC001257516743 807190029 /nfs/dbraw/zinc/19/00/29/807190029.db2.gz DQXBNBJAOABFNU-HUUCEWRRSA-N 1 1 282.428 3.332 20 30 CGEDMO N#CCC[N@H+](Cc1ccccc1)[C@H]1CCCSC1 ZINC001257667362 807208693 /nfs/dbraw/zinc/20/86/93/807208693.db2.gz CLEIYVYJTVPJNB-HNNXBMFYSA-N 1 1 260.406 3.298 20 30 CGEDMO N#CCC[N@@H+](Cc1ccccc1)[C@H]1CCCSC1 ZINC001257667362 807208701 /nfs/dbraw/zinc/20/87/01/807208701.db2.gz CLEIYVYJTVPJNB-HNNXBMFYSA-N 1 1 260.406 3.298 20 30 CGEDMO C=CC[N@H+](C1CCC(C(=O)OC)CC1)C(C)(C)C ZINC001257868441 807230977 /nfs/dbraw/zinc/23/09/77/807230977.db2.gz KKIZGOSORARSJG-UHFFFAOYSA-N 1 1 253.386 3.005 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCC[C@H](C(=O)OC)C3)C[C@H](C1)C2 ZINC001257889863 807239779 /nfs/dbraw/zinc/23/97/79/807239779.db2.gz LRLUTVNCBJFIKW-QGPPMGRFSA-N 1 1 277.408 3.006 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCCNc1cc(C2(C#N)CC2)ccn1 ZINC001167750786 807239969 /nfs/dbraw/zinc/23/99/69/807239969.db2.gz CIQAWWQTEYFNLG-OAHLLOKOSA-N 1 1 298.434 3.313 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCCNc1cc(C#N)c(Cl)cn1 ZINC001167751482 807240556 /nfs/dbraw/zinc/24/05/56/807240556.db2.gz KZZRFLCLMSRYDG-LBPRGKRZSA-N 1 1 292.814 3.283 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CCC[C@@H](O)[C@H](C)C3)C[C@H](C1)C2 ZINC001257891813 807242951 /nfs/dbraw/zinc/24/29/51/807242951.db2.gz PEIHQRMPXOMTBA-CTVHLWBWSA-N 1 1 263.425 3.214 20 30 CGEDMO CCCCCCC[C@H](C)[NH2+]C1(C(=O)OC)CCC1 ZINC001258041901 807272206 /nfs/dbraw/zinc/27/22/06/807272206.db2.gz CKNIUIMRTSKCHH-ZDUSSCGKSA-N 1 1 255.402 3.421 20 30 CGEDMO C=CCCCC[N@H+](CCOC)Cc1ccc(C)o1 ZINC001167881706 807267319 /nfs/dbraw/zinc/26/73/19/807267319.db2.gz PZIVZRMDYSHKTJ-UHFFFAOYSA-N 1 1 251.370 3.393 20 30 CGEDMO CCOC(=O)CC1CCC([N@H+]2CCC[C@@H](C#N)CC2)CC1 ZINC001258034701 807269682 /nfs/dbraw/zinc/26/96/82/807269682.db2.gz ZIYLDIQKDFWWKW-HWOWSKLDSA-N 1 1 292.423 3.124 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CCO[C@@H]2C[C@H](CO)C[C@H]21 ZINC001258045188 807273364 /nfs/dbraw/zinc/27/33/64/807273364.db2.gz YFVWPEMKWWLIDR-YLFCFFPRSA-N 1 1 283.456 3.207 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CCOC[C@H]1COC ZINC001258049739 807275543 /nfs/dbraw/zinc/27/55/43/807275543.db2.gz NYKWUTZJAJJFPY-LSDHHAIUSA-N 1 1 257.418 3.083 20 30 CGEDMO C#CC(CC)(CC)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167959474 807286159 /nfs/dbraw/zinc/28/61/59/807286159.db2.gz QGCXZWOAJLMSDJ-ALOPSCKCSA-N 1 1 274.452 3.173 20 30 CGEDMO C#CC(CC)(CC)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167959474 807286166 /nfs/dbraw/zinc/28/61/66/807286166.db2.gz QGCXZWOAJLMSDJ-ALOPSCKCSA-N 1 1 274.452 3.173 20 30 CGEDMO C[C@@H]1C[C@@H](NC2(C#N)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168011905 807300500 /nfs/dbraw/zinc/30/05/00/807300500.db2.gz UGUBBVVOBSMYAO-SCAQPMJSSA-N 1 1 283.419 3.074 20 30 CGEDMO C#CC[N@H+](Cc1cc(Cl)cc(C#N)c1)CC1CC1 ZINC001168235698 807360313 /nfs/dbraw/zinc/36/03/13/807360313.db2.gz XCUTYOYKIHVMCV-UHFFFAOYSA-N 1 1 258.752 3.057 20 30 CGEDMO CCCCCCCCC[C@H](C)[NH2+][C@@](N)(CC)CO ZINC001258230996 807379014 /nfs/dbraw/zinc/37/90/14/807379014.db2.gz FQBLVGYJHQAXEZ-GJZGRUSLSA-N 1 1 258.450 3.163 20 30 CGEDMO CCCCCCCCC[C@@H](C)n1cnc(C[NH3+])n1 ZINC001258232034 807380470 /nfs/dbraw/zinc/38/04/70/807380470.db2.gz XHTIJVAJGOQNKN-CYBMUJFWSA-N 1 1 252.406 3.439 20 30 CGEDMO CCOC(=O)CC[C@@H](C)[N@H+](CCC#N)Cc1ccccc1 ZINC001258485418 807475935 /nfs/dbraw/zinc/47/59/35/807475935.db2.gz DVBKCNZDIUAGPJ-OAHLLOKOSA-N 1 1 288.391 3.134 20 30 CGEDMO CCOC(=O)CC[C@@H](C)[N@@H+](CCC#N)Cc1ccccc1 ZINC001258485418 807475937 /nfs/dbraw/zinc/47/59/37/807475937.db2.gz DVBKCNZDIUAGPJ-OAHLLOKOSA-N 1 1 288.391 3.134 20 30 CGEDMO C=CCn1ccc2c1nc[nH+]c2N[C@@H](C)C(C)(C)C ZINC001168682830 807476131 /nfs/dbraw/zinc/47/61/31/807476131.db2.gz ZRIVPMBFKITOPX-NSHDSACASA-N 1 1 258.369 3.464 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168741583 807501471 /nfs/dbraw/zinc/50/14/71/807501471.db2.gz ZTVZXTFFFOSIIU-JSGCOSHPSA-N 1 1 259.780 3.152 20 30 CGEDMO CCCCCCCC[N@@H+](CCN)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168987263 807546996 /nfs/dbraw/zinc/54/69/96/807546996.db2.gz HUCJHZRNDITPMM-HOTGVXAUSA-N 1 1 299.459 3.053 20 30 CGEDMO CCCCCCC[C@H](CC(C)C)[N@H+]1CCO[C@@H](CO)C1 ZINC001258714015 807565711 /nfs/dbraw/zinc/56/57/11/807565711.db2.gz GBVZQSPUJCDYNS-IAGOWNOFSA-N 1 1 285.472 3.455 20 30 CGEDMO CCCCCCC[C@H](CC(C)C)[NH2+][C@](N)(CC)CO ZINC001258715943 807566534 /nfs/dbraw/zinc/56/65/34/807566534.db2.gz OQMYUIJVXVTJJI-HZPDHXFCSA-N 1 1 272.477 3.409 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001258727514 807574652 /nfs/dbraw/zinc/57/46/52/807574652.db2.gz HYVUZUCITUYOQE-RYQLBKOJSA-N 1 1 285.435 3.085 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@]2(C[C@H](CCOC)CO2)C1 ZINC001258728975 807576458 /nfs/dbraw/zinc/57/64/58/807576458.db2.gz RZJXUPIINBXDIK-ULQDDVLXSA-N 1 1 281.440 3.249 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H](c2nc(CC)no2)C1 ZINC001258732011 807577314 /nfs/dbraw/zinc/57/73/14/807577314.db2.gz HLVMXWBENIZZTF-OLZOCXBDSA-N 1 1 263.385 3.166 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1Cc2ccccc2[C@@H](C(=O)OC)C1 ZINC001258733614 807578939 /nfs/dbraw/zinc/57/89/39/807578939.db2.gz KAXJVVDBKGMVAK-BBRMVZONSA-N 1 1 273.376 3.114 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001258734610 807580908 /nfs/dbraw/zinc/58/09/08/807580908.db2.gz GQVKJMFUAVNQMY-KGLIPLIRSA-N 1 1 282.428 3.282 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001258735053 807580938 /nfs/dbraw/zinc/58/09/38/807580938.db2.gz NIJKAEGCHLJVTJ-UONOGXRCSA-N 1 1 267.413 3.395 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001258734594 807581083 /nfs/dbraw/zinc/58/10/83/807581083.db2.gz FYXJPJOFGTUWKL-KGLIPLIRSA-N 1 1 282.428 3.188 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](Oc2ccncc2C)C1 ZINC001258735926 807581942 /nfs/dbraw/zinc/58/19/42/807581942.db2.gz GCDGDVHWZWYQAK-CABCVRRESA-N 1 1 260.381 3.198 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](CC(=O)OCC)[C@@H](C)C1 ZINC001258735939 807581982 /nfs/dbraw/zinc/58/19/82/807581982.db2.gz GGWVRPLNWKDIQF-SOUVJXGZSA-N 1 1 267.413 3.252 20 30 CGEDMO C#CCN([C@@H]1CCc2ccccc21)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169143125 807591026 /nfs/dbraw/zinc/59/10/26/807591026.db2.gz YCLXLOWOQWBNHX-AJYBTWMASA-N 1 1 294.442 3.234 20 30 CGEDMO C#CC[N@H+]([C@@H]1CCc2ccccc21)[C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169143125 807591027 /nfs/dbraw/zinc/59/10/27/807591027.db2.gz YCLXLOWOQWBNHX-AJYBTWMASA-N 1 1 294.442 3.234 20 30 CGEDMO C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169143125 807591030 /nfs/dbraw/zinc/59/10/30/807591030.db2.gz YCLXLOWOQWBNHX-AJYBTWMASA-N 1 1 294.442 3.234 20 30 CGEDMO CCC[N@@H+](CC1CCC(C#N)CC1)[C@@H](CC)C(=O)OCC ZINC001169234784 807611379 /nfs/dbraw/zinc/61/13/79/807611379.db2.gz XSWPAPXQHOOEHA-GPANFISMSA-N 1 1 294.439 3.370 20 30 CGEDMO C#CC[N@@H+]([C@@H]1CCc2ccccc21)C1CCN(CC)CC1 ZINC001169258583 807617067 /nfs/dbraw/zinc/61/70/67/807617067.db2.gz NKJQPZRLWZRBSZ-LJQANCHMSA-N 1 1 282.431 3.093 20 30 CGEDMO C#CCN([C@@H]1CCc2ccccc21)C1CC[NH+](CC)CC1 ZINC001169258583 807617070 /nfs/dbraw/zinc/61/70/70/807617070.db2.gz NKJQPZRLWZRBSZ-LJQANCHMSA-N 1 1 282.431 3.093 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+](C)[C@@H](CO)CC(C)C ZINC001169474996 807648719 /nfs/dbraw/zinc/64/87/19/807648719.db2.gz WZQLKIPCNGLGMO-MRXNPFEDSA-N 1 1 274.408 3.014 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](CCCc2c(F)cccc2F)C1 ZINC001261544298 807756359 /nfs/dbraw/zinc/75/63/59/807756359.db2.gz NKGNVPBIJGLYSO-ZDUSSCGKSA-N 1 1 281.346 3.174 20 30 CGEDMO N#CC[C@H]1CCC[N@H+]([C@@H]2CCc3c2cccc3F)C1 ZINC001261641093 807772846 /nfs/dbraw/zinc/77/28/46/807772846.db2.gz WFGSDELYFOKQMS-MLGOLLRUSA-N 1 1 258.340 3.439 20 30 CGEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H]1CC[C@@H](C)C1)C2 ZINC001170143984 807773828 /nfs/dbraw/zinc/77/38/28/807773828.db2.gz BDEYBACQZDZNKM-WCXIOVBPSA-N 1 1 279.424 3.001 20 30 CGEDMO CC(C)(S)CNc1[nH+]cccc1C1CCOCC1 ZINC001170305300 807823661 /nfs/dbraw/zinc/82/36/61/807823661.db2.gz VZKRDOAXPQFHSA-UHFFFAOYSA-N 1 1 266.410 3.096 20 30 CGEDMO N#CC1(c2ccccc2)CCC([N@@H+](C2CC2)C2COC2)CC1 ZINC001170389463 807834398 /nfs/dbraw/zinc/83/43/98/807834398.db2.gz TZILUUDKDOCKHD-UHFFFAOYSA-N 1 1 296.414 3.254 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@@H](CC)Cc2ccc3c(c2)OCO3)C1 ZINC001170450187 807845606 /nfs/dbraw/zinc/84/56/06/807845606.db2.gz RWESWVKWAWOJJF-ZBFHGGJFSA-N 1 1 285.387 3.082 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170706662 807879916 /nfs/dbraw/zinc/87/99/16/807879916.db2.gz JLWGZMLQSBNMQV-DOMZBBRYSA-N 1 1 275.342 3.167 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC001170804381 807911278 /nfs/dbraw/zinc/91/12/78/807911278.db2.gz NSDSRWZAHZKKOB-GOEBONIOSA-N 1 1 256.393 3.088 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CCCC1(F)F ZINC001171193696 808005453 /nfs/dbraw/zinc/00/54/53/808005453.db2.gz YEGXTAQVVJKTPQ-SMDDNHRTSA-N 1 1 264.319 3.267 20 30 CGEDMO C=CCC1(C(=O)N(C)C[C@H]2CC[N@@H+]2CCCCC)CCC1 ZINC001263810509 808006737 /nfs/dbraw/zinc/00/67/37/808006737.db2.gz XZOBKFHUAHAHKK-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@](C)(F)CCCC ZINC001263801726 808006758 /nfs/dbraw/zinc/00/67/58/808006758.db2.gz BSGLRHAJBSEARU-WBVHZDCISA-N 1 1 298.446 3.404 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H](F)CC1 ZINC001171203713 808009193 /nfs/dbraw/zinc/00/91/93/808009193.db2.gz PGWROKOWIBIKOC-XJKSGUPXSA-N 1 1 260.356 3.313 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCCC[C@H](F)C1 ZINC001171203724 808009331 /nfs/dbraw/zinc/00/93/31/808009331.db2.gz PGYAFILBEHMSNY-CJNGLKHVSA-N 1 1 260.356 3.313 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001171222357 808011882 /nfs/dbraw/zinc/01/18/82/808011882.db2.gz GHHKWRJBFNCQAA-XDKFSHSGSA-N 1 1 279.387 3.256 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)CC1CC(F)(F)C1 ZINC001171222739 808012865 /nfs/dbraw/zinc/01/28/65/808012865.db2.gz ITSMCUPBVDMMEN-LBPRGKRZSA-N 1 1 278.346 3.466 20 30 CGEDMO Cc1cnc2c(c1)C[N@@H+]([C@@H](C)Cc1cccc(C#N)c1)CC2 ZINC001171231209 808015718 /nfs/dbraw/zinc/01/57/18/808015718.db2.gz IBTXEXXHHUNJIN-HNNXBMFYSA-N 1 1 291.398 3.251 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@H+](CC[C@@H](C)F)CC(C)(C)C1 ZINC001264193061 808045557 /nfs/dbraw/zinc/04/55/57/808045557.db2.gz KHMSGLAPEWXSKN-CABCVRRESA-N 1 1 298.446 3.308 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CC[N@H+](CC)CC(C)(C)C1 ZINC001264195338 808047604 /nfs/dbraw/zinc/04/76/04/808047604.db2.gz RBJKIMYKARXZLH-INIZCTEOSA-N 1 1 292.467 3.382 20 30 CGEDMO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)CCCCC ZINC001264381115 808064629 /nfs/dbraw/zinc/06/46/29/808064629.db2.gz XFBXVCVUVIZWKC-INIZCTEOSA-N 1 1 292.467 3.149 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)CCCCC ZINC001264381115 808064635 /nfs/dbraw/zinc/06/46/35/808064635.db2.gz XFBXVCVUVIZWKC-INIZCTEOSA-N 1 1 292.467 3.149 20 30 CGEDMO Cc1cc(NCCOc2ccc(C#N)cc2)c2[nH+]ccn2c1 ZINC001171484051 808074181 /nfs/dbraw/zinc/07/41/81/808074181.db2.gz IBKPBXWDAVXZEM-UHFFFAOYSA-N 1 1 292.342 3.005 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC=CCC2)[C@H]1CC ZINC001264600201 808080429 /nfs/dbraw/zinc/08/04/29/808080429.db2.gz HDEZUFDBKBZROZ-YESZJQIVSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@H+](CC(=C)Cl)[C@@H]1CC ZINC001264617411 808082169 /nfs/dbraw/zinc/08/21/69/808082169.db2.gz MTQGIDLBBHNVBB-SQWLQELKSA-N 1 1 298.858 3.310 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@@H+](CC(=C)Cl)[C@@H]1CC ZINC001264617411 808082177 /nfs/dbraw/zinc/08/21/77/808082177.db2.gz MTQGIDLBBHNVBB-SQWLQELKSA-N 1 1 298.858 3.310 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC001171574271 808102498 /nfs/dbraw/zinc/10/24/98/808102498.db2.gz ZUWUPIRBLKQGOY-AWEZNQCLSA-N 1 1 299.805 3.371 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccn(-c3ccc(Cl)cc3)n2)C1 ZINC001171574271 808102502 /nfs/dbraw/zinc/10/25/02/808102502.db2.gz ZUWUPIRBLKQGOY-AWEZNQCLSA-N 1 1 299.805 3.371 20 30 CGEDMO CC(C)C[C@H](C#N)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171735462 808127774 /nfs/dbraw/zinc/12/77/74/808127774.db2.gz WIZSDFSROAULPI-KBAYOESNSA-N 1 1 285.435 3.177 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H](C=C)c2ccccc2)C1 ZINC001265317098 808130564 /nfs/dbraw/zinc/13/05/64/808130564.db2.gz JLAXMQWZDRYNEC-ZWKOTPCHSA-N 1 1 298.430 3.113 20 30 CGEDMO C[C@@H]1C[C@@H](N2CCC[C@@H](C#N)CC2)C[N@H+]1Cc1ccccc1 ZINC001171763172 808133043 /nfs/dbraw/zinc/13/30/43/808133043.db2.gz ORATYXHHKGZEFC-ZHALLVOQSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](C#N)CC2)CN1Cc1ccccc1 ZINC001171763172 808133048 /nfs/dbraw/zinc/13/30/48/808133048.db2.gz ORATYXHHKGZEFC-ZHALLVOQSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1C[C@@H]([N@H+]2CCC[C@@H](C#N)CC2)CN1Cc1ccccc1 ZINC001171763172 808133052 /nfs/dbraw/zinc/13/30/52/808133052.db2.gz ORATYXHHKGZEFC-ZHALLVOQSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1C[C@H](N2CCC[C@H](CC#N)C2)C[N@H+]1Cc1ccccc1 ZINC001171765539 808133403 /nfs/dbraw/zinc/13/34/03/808133403.db2.gz YIQHEJJMUMHPTN-QRQLOZEOSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1C[C@H]([N@@H+]2CCC[C@H](CC#N)C2)CN1Cc1ccccc1 ZINC001171765539 808133409 /nfs/dbraw/zinc/13/34/09/808133409.db2.gz YIQHEJJMUMHPTN-QRQLOZEOSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1C[C@H]([N@H+]2CCC[C@H](CC#N)C2)CN1Cc1ccccc1 ZINC001171765539 808133415 /nfs/dbraw/zinc/13/34/15/808133415.db2.gz YIQHEJJMUMHPTN-QRQLOZEOSA-N 1 1 297.446 3.275 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CCC2(C)CC2)C1 ZINC001265397328 808139685 /nfs/dbraw/zinc/13/96/85/808139685.db2.gz WTHPVERHWTXZEC-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC001265588115 808158154 /nfs/dbraw/zinc/15/81/54/808158154.db2.gz AEWTUGXBETXKIL-IXDOHACOSA-N 1 1 294.483 3.441 20 30 CGEDMO CCOC(=O)C1(C)CCC([N@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC001171956149 808159148 /nfs/dbraw/zinc/15/91/48/808159148.db2.gz NHSPPOGRVDDGRV-UQPPLGOBSA-N 1 1 292.423 3.124 20 30 CGEDMO C=CC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172063800 808169841 /nfs/dbraw/zinc/16/98/41/808169841.db2.gz DOGIWZSOPBWRFB-NNZMDNLPSA-N 1 1 270.420 3.348 20 30 CGEDMO C=C(C)C[N@H+](CC)CCCNC(=O)[C@@H]1CCC[C@H]1CC ZINC001266080548 808207650 /nfs/dbraw/zinc/20/76/50/808207650.db2.gz LSDPAXKEWSZNBT-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@@H](C)CC12CC2 ZINC001172311264 808223426 /nfs/dbraw/zinc/22/34/26/808223426.db2.gz RDPJSGGMUCIHNM-KBPBESRZSA-N 1 1 254.377 3.364 20 30 CGEDMO CC(C)[N@@H+]([C@@H](C)Cc1ccc(C#N)cc1)C1CCOCC1 ZINC001172312369 808224025 /nfs/dbraw/zinc/22/40/25/808224025.db2.gz GJXFJMDBEVYVSQ-HNNXBMFYSA-N 1 1 286.419 3.379 20 30 CGEDMO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172311811 808224674 /nfs/dbraw/zinc/22/46/74/808224674.db2.gz YYBMSWNUFXXNCI-BXEVVDMOSA-N 1 1 284.403 3.131 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)c2cccs2)C1 ZINC001266200589 808227349 /nfs/dbraw/zinc/22/73/49/808227349.db2.gz OXDHOPRSFBGVCJ-KGLIPLIRSA-N 1 1 292.448 3.297 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC001172318363 808228105 /nfs/dbraw/zinc/22/81/05/808228105.db2.gz FFNDWXWVAMLUMU-DOMZBBRYSA-N 1 1 276.330 3.220 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC001172319568 808229486 /nfs/dbraw/zinc/22/94/86/808229486.db2.gz OWIHWPCNMWMGJF-VBNZEHGJSA-N 1 1 254.377 3.077 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)CC1(C)CC1 ZINC001266227740 808230084 /nfs/dbraw/zinc/23/00/84/808230084.db2.gz WGHVRXMQGGXLAD-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)CC(C)C)C1 ZINC001266245796 808231893 /nfs/dbraw/zinc/23/18/93/808231893.db2.gz GTEMTIPDRCTXTI-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001266246929 808233243 /nfs/dbraw/zinc/23/32/43/808233243.db2.gz YUWQSEQYMHKRJT-CVEARBPZSA-N 1 1 292.467 3.053 20 30 CGEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001266246929 808233248 /nfs/dbraw/zinc/23/32/48/808233248.db2.gz YUWQSEQYMHKRJT-CVEARBPZSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)c1sc(C)cc1C ZINC001266278761 808237144 /nfs/dbraw/zinc/23/71/44/808237144.db2.gz RDMJZIXRNVXIED-CYBMUJFWSA-N 1 1 294.464 3.381 20 30 CGEDMO C=C(C)C[N@@H+](C)CCNC(=O)c1occc1-c1ccccc1 ZINC001266295826 808237533 /nfs/dbraw/zinc/23/75/33/808237533.db2.gz ZTZAEDKBUMGQJW-UHFFFAOYSA-N 1 1 298.386 3.184 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](NC(=O)c2[nH]ccc2C)C1 ZINC001266316984 808241387 /nfs/dbraw/zinc/24/13/87/808241387.db2.gz LEOSWLLHOUEVPL-OAHLLOKOSA-N 1 1 291.439 3.098 20 30 CGEDMO C=C(C)C[N@H+](C)CCNC(=O)[C@@H](C)c1ccc(Cl)cc1 ZINC001266320377 808242121 /nfs/dbraw/zinc/24/21/21/808242121.db2.gz JBSXHPCEHUBZDI-ZDUSSCGKSA-N 1 1 294.826 3.068 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(CC)cc1 ZINC001266354651 808247530 /nfs/dbraw/zinc/24/75/30/808247530.db2.gz IKWOPVAKVZHCIK-HNNXBMFYSA-N 1 1 288.435 3.265 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1C[C@@H]2CCNC(=O)[C@@H]2C1 ZINC001172354704 808251201 /nfs/dbraw/zinc/25/12/01/808251201.db2.gz KJTLOWMCTSDQRU-HRCADAONSA-N 1 1 280.456 3.193 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)CCC2CCC2)C1 ZINC001266453190 808267031 /nfs/dbraw/zinc/26/70/31/808267031.db2.gz ZNRRPJBEQRRLKA-QGZVFWFLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)CC2CC2)C1 ZINC001266448546 808267406 /nfs/dbraw/zinc/26/74/06/808267406.db2.gz PXPGCWDQICCDNC-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H]1CNC(=O)C#CC(C)C ZINC001266460944 808268919 /nfs/dbraw/zinc/26/89/19/808268919.db2.gz GQZHQDTXSYHKIL-QGZVFWFLSA-N 1 1 292.467 3.197 20 30 CGEDMO CCCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)F ZINC001266475697 808271849 /nfs/dbraw/zinc/27/18/49/808271849.db2.gz JXTGMJYYFOFTKU-GASCZTMLSA-N 1 1 298.446 3.380 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)C1(CCC)CCC1 ZINC001266476994 808272746 /nfs/dbraw/zinc/27/27/46/808272746.db2.gz GTHKJFJUJWRGED-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccsc1 ZINC001266476223 808272981 /nfs/dbraw/zinc/27/29/81/808272981.db2.gz UOGPRSXLIDAYRX-GASCZTMLSA-N 1 1 290.432 3.003 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CCCC1 ZINC001266491670 808275274 /nfs/dbraw/zinc/27/52/74/808275274.db2.gz XGRIAWXWLQNANU-IYBDPMFKSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@](C)(F)CCCC ZINC001266489997 808275494 /nfs/dbraw/zinc/27/54/94/808275494.db2.gz YBGITHJPKQBLCU-HLLBOEOZSA-N 1 1 296.430 3.156 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)C2CCCCC2)C1 ZINC001266498595 808277833 /nfs/dbraw/zinc/27/78/33/808277833.db2.gz YKAJSDDXEHXTMP-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@](C)(F)CCCC)C1 ZINC001266520427 808280243 /nfs/dbraw/zinc/28/02/43/808280243.db2.gz MYIOLMRMRNXOLC-NVXWUHKLSA-N 1 1 298.446 3.309 20 30 CGEDMO C#Cc1cc(Nc2ccc([NH+](CC)CC)cc2)ccn1 ZINC001212968373 815191201 /nfs/dbraw/zinc/19/12/01/815191201.db2.gz ZEEWDAHFUGJTOK-UHFFFAOYSA-N 1 1 265.360 3.075 20 30 CGEDMO C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@@H](CC)CC(C)C)C1 ZINC001172401648 808290052 /nfs/dbraw/zinc/29/00/52/808290052.db2.gz GIQPGPGQRKCWKE-CABCVRRESA-N 1 1 282.428 3.188 20 30 CGEDMO C=C(C)C[N@@H+](CCNC(=O)[C@@H]1CCC(C)=C(C)C1)C1CC1 ZINC001266594774 808293889 /nfs/dbraw/zinc/29/38/89/808293889.db2.gz RMTZGKZJAITEDZ-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO CC[NH+](CC)c1ccc(NC(=NO)c2ccccc2N)cc1 ZINC001212970943 815192631 /nfs/dbraw/zinc/19/26/31/815192631.db2.gz RLVDMUMCVLPWFK-UHFFFAOYSA-N 1 1 298.390 3.363 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CCCC[N@@H+]2CCC)CCC1 ZINC001266852910 808323190 /nfs/dbraw/zinc/32/31/90/808323190.db2.gz BDDLPJGBAXZUCW-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C[C@@H](CCCC#N)[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001172479685 808343348 /nfs/dbraw/zinc/34/33/48/808343348.db2.gz JKCSQYDMWYAGOR-WMZOPIPTSA-N 1 1 285.435 3.180 20 30 CGEDMO COC(=O)[C@H](CC1CCCCC1)[NH2+][C@@H](C)CCCC#N ZINC001172486721 808348030 /nfs/dbraw/zinc/34/80/30/808348030.db2.gz DINZKQVXNCCOQC-ZFWWWQNUSA-N 1 1 280.412 3.170 20 30 CGEDMO C[C@@H](CCCC#N)[N@@H+](CCC#N)Cc1ccccc1 ZINC001172492718 808352295 /nfs/dbraw/zinc/35/22/95/808352295.db2.gz UIBZYGOTJAMELV-HNNXBMFYSA-N 1 1 255.365 3.485 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)CSC(C)C)C1 ZINC001267101020 808357601 /nfs/dbraw/zinc/35/76/01/808357601.db2.gz ORKCJAKIFAJLRV-OAHLLOKOSA-N 1 1 298.496 3.017 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)C2CCCC2)C1 ZINC001267101624 808358420 /nfs/dbraw/zinc/35/84/20/808358420.db2.gz WBHDABHHYFRSHH-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO CCCc1noc([C@H]2CCC[N@H+]([C@H](C)CCCC#N)C2)n1 ZINC001172503278 808358716 /nfs/dbraw/zinc/35/87/16/808358716.db2.gz YLGYCEOIUNICGZ-KGLIPLIRSA-N 1 1 290.411 3.284 20 30 CGEDMO CCCCCCCC[C@@H](CC)[N@H+]1CCOC[C@@H](O)C1 ZINC001172505206 808359780 /nfs/dbraw/zinc/35/97/80/808359780.db2.gz JVNSBMIYBJGUJW-CVEARBPZSA-N 1 1 271.445 3.209 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CC[C@H]1COCc1ccccc1 ZINC001172507055 808361945 /nfs/dbraw/zinc/36/19/45/808361945.db2.gz OGYCLIVSNWDKIP-RDJZCZTQSA-N 1 1 272.392 3.360 20 30 CGEDMO C[C@@H](CCCC#N)[N@@H+](C1CCCC1)C1CCN(C)CC1 ZINC001172506502 808363289 /nfs/dbraw/zinc/36/32/89/808363289.db2.gz VFKZXMHJUPWBHI-HNNXBMFYSA-N 1 1 277.456 3.408 20 30 CGEDMO C=CCCC(=O)NCC[N@H+](CC)[C@H](C)c1ccc(F)cc1 ZINC001267238360 808391719 /nfs/dbraw/zinc/39/17/19/808391719.db2.gz LRKLZDWFCBXTBB-CQSZACIVSA-N 1 1 292.398 3.291 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)CCCCC ZINC001267260179 808399745 /nfs/dbraw/zinc/39/97/45/808399745.db2.gz FVLAWHJMXWTNAU-OAHLLOKOSA-N 1 1 266.429 3.114 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)CCCCCC)C1 ZINC001267304906 808408617 /nfs/dbraw/zinc/40/86/17/808408617.db2.gz FLLXRKLWBZDBOZ-AWEZNQCLSA-N 1 1 286.847 3.147 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)CCCCCC)C1 ZINC001267304906 808408621 /nfs/dbraw/zinc/40/86/21/808408621.db2.gz FLLXRKLWBZDBOZ-AWEZNQCLSA-N 1 1 286.847 3.147 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](CNC(=O)CC2(C=C)CCCCC2)C1 ZINC001267305659 808408827 /nfs/dbraw/zinc/40/88/27/808408827.db2.gz SNZDGMFNMIYHNB-INIZCTEOSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(Cl)C[N@H+](CCC)CCNC(=O)[C@H]1CCCC12CC2 ZINC001267315753 808411752 /nfs/dbraw/zinc/41/17/52/808411752.db2.gz UDCTVNAVNAFRJR-CQSZACIVSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C(Cl)C[N@@H+](CCC)CCNC(=O)[C@H]1CCCC12CC2 ZINC001267315753 808411756 /nfs/dbraw/zinc/41/17/56/808411756.db2.gz UDCTVNAVNAFRJR-CQSZACIVSA-N 1 1 298.858 3.147 20 30 CGEDMO C#CC[N@H+](CCCNC(=O)C(C)(C)CC(C)(C)C)C(C)C ZINC001267340572 808418702 /nfs/dbraw/zinc/41/87/02/808418702.db2.gz MXNQNLAKGBXLKM-UHFFFAOYSA-N 1 1 294.483 3.299 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)c2ccc(C)s2)C1 ZINC001267443092 808425826 /nfs/dbraw/zinc/42/58/26/808425826.db2.gz JYUVXPXJCCQVIJ-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CCC(CC=C)C(=O)N(CCC)[C@H]1CC[N@H+](C(C)C)C1 ZINC001267459827 808429275 /nfs/dbraw/zinc/42/92/75/808429275.db2.gz NSZVKFSQXUWRKI-KRWDZBQOSA-N 1 1 292.467 3.476 20 30 CGEDMO C=CCCCC[N@H+](C)[C@@H]1CCC[C@@H](C(=O)OC)CC1 ZINC001172806647 808443448 /nfs/dbraw/zinc/44/34/48/808443448.db2.gz JISZHHPRCAHNDQ-HUUCEWRRSA-N 1 1 267.413 3.396 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCC[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001267564871 808447133 /nfs/dbraw/zinc/44/71/33/808447133.db2.gz GPYWBSDMDPLWPV-WMZOPIPTSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC(C)(C)C(=O)NCC[C@@H]1CC[N@H+](C[C@@H](C)CC)C1 ZINC001267567837 808450136 /nfs/dbraw/zinc/45/01/36/808450136.db2.gz QKJYOSNUGWPQFI-JKSUJKDBSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)CC(C)C)C1 ZINC001267576912 808450818 /nfs/dbraw/zinc/45/08/18/808450818.db2.gz BJFIRXWZOCMSGP-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](CCC)C(C)C)C1 ZINC001267589268 808453141 /nfs/dbraw/zinc/45/31/41/808453141.db2.gz IJZWBWZYEGTZPA-SJORKVTESA-N 1 1 294.483 3.415 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001267594639 808454570 /nfs/dbraw/zinc/45/45/70/808454570.db2.gz LCILZSVXCYLAJS-HOTGVXAUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCC(=O)N1CCC(C[N@H+](C)CC/C=C/CC)CC1 ZINC001267597770 808455210 /nfs/dbraw/zinc/45/52/10/808455210.db2.gz IDCGTOCYMPBUMM-SOFGYWHQSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC(C[N@@H+](C)CCCF)CC1 ZINC001267603058 808456791 /nfs/dbraw/zinc/45/67/91/808456791.db2.gz PICLJQITQIFNIM-UHFFFAOYSA-N 1 1 298.446 3.119 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)C2=CCCC2)C1 ZINC001267612032 808457357 /nfs/dbraw/zinc/45/73/57/808457357.db2.gz UMTKJFHTOWBADB-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)C2(CCF)CC2)C1 ZINC001267628941 808461439 /nfs/dbraw/zinc/46/14/39/808461439.db2.gz OMUPUDWOIWJURA-GJZGRUSLSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)CCC)C1 ZINC001267637145 808462838 /nfs/dbraw/zinc/46/28/38/808462838.db2.gz BUIFRDZNKRVOMF-JKSUJKDBSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)CCCC(C)C)C1 ZINC001267689056 808470723 /nfs/dbraw/zinc/47/07/23/808470723.db2.gz AMACKEOUDHHNMW-MRXNPFEDSA-N 1 1 280.456 3.169 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172911461 808476106 /nfs/dbraw/zinc/47/61/06/808476106.db2.gz CHJMZPRVNOLWEN-WBVHZDCISA-N 1 1 299.374 3.078 20 30 CGEDMO CC[N@@H+](CCC#N)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912908 808477632 /nfs/dbraw/zinc/47/76/32/808477632.db2.gz CWOMBSYUKNYEJC-OAHLLOKOSA-N 1 1 287.363 3.078 20 30 CGEDMO C=CCCC[N@H+](C)CC1CCN(C(=O)[C@H](C)C(C)C)CC1 ZINC001267752783 808482860 /nfs/dbraw/zinc/48/28/60/808482860.db2.gz RLYVWXIMLXPPAB-MRXNPFEDSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C(C)(CC)CC)C1 ZINC001267754720 808484528 /nfs/dbraw/zinc/48/45/28/808484528.db2.gz UFBODWRBMRCJIV-HUUCEWRRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC(C)(C)CC(=O)N(C)[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001267764813 808486616 /nfs/dbraw/zinc/48/66/16/808486616.db2.gz ZWOKPGFGUZMDQW-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO CO[C@@H]1CCC[C@@H]([N@@H+](CCC#N)Cc2ccccc2)C1 ZINC001172931951 808487206 /nfs/dbraw/zinc/48/72/06/808487206.db2.gz MFZRILCDMCDRNH-IAGOWNOFSA-N 1 1 272.392 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)/C=C(/C)C2CC2)C1 ZINC001267782042 808491745 /nfs/dbraw/zinc/49/17/45/808491745.db2.gz QAAIAXIXWUDDMX-REZBVGGZSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@H+](C[C@@H](C)CC)C1 ZINC001267970977 808523321 /nfs/dbraw/zinc/52/33/21/808523321.db2.gz WCXURYYKGGYZRP-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CCC[N@H+](C[C@H](C)CC(C)C)C1 ZINC001268216236 808559719 /nfs/dbraw/zinc/55/97/19/808559719.db2.gz CNRWETIKHKQERL-CVEARBPZSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@H](C)C1 ZINC001268248065 808567182 /nfs/dbraw/zinc/56/71/82/808567182.db2.gz RWJRMAYVDRKCAK-JKSUJKDBSA-N 1 1 280.456 3.169 20 30 CGEDMO CCCCCCCCC[C@H](CCC)[NH2+]C[C@@H](O)CN ZINC001173284700 808585173 /nfs/dbraw/zinc/58/51/73/808585173.db2.gz HVZDHVMZCFXSBB-HOTGVXAUSA-N 1 1 272.477 3.205 20 30 CGEDMO C=CCOC1CCC([N@H+]2CC[C@@H]3OCCC[C@H]3C2)CC1 ZINC001173319272 808610364 /nfs/dbraw/zinc/61/03/64/808610364.db2.gz CEXHCKYYYUKTJT-OTBWCIGPSA-N 1 1 279.424 3.001 20 30 CGEDMO C=CCOC1CCC([N@@H+](CCC)C2CCOCC2)CC1 ZINC001173322535 808610938 /nfs/dbraw/zinc/61/09/38/808610938.db2.gz GAJSMBUVXZIPPT-UHFFFAOYSA-N 1 1 281.440 3.391 20 30 CGEDMO C=CCOC1CCC([N@@H+]2CCC[C@@H]2C(C)(C)OC)CC1 ZINC001173323554 808611253 /nfs/dbraw/zinc/61/12/53/808611253.db2.gz AZPMGMVYBUZFFB-UYSNPLJNSA-N 1 1 281.440 3.390 20 30 CGEDMO C=CCOC1CCC([N@@H+]2CCc3cccc(O)c3C2)CC1 ZINC001173326535 808612399 /nfs/dbraw/zinc/61/23/99/808612399.db2.gz JNHAPMRWVJNWIE-UHFFFAOYSA-N 1 1 287.403 3.264 20 30 CGEDMO C[N@@H+](Cc1cccc(O)c1)C1CCC(CC#N)CC1 ZINC001173331898 808615884 /nfs/dbraw/zinc/61/58/84/808615884.db2.gz UXMHXOLTMIGVTP-UHFFFAOYSA-N 1 1 258.365 3.296 20 30 CGEDMO N#CCC1CCC([N@H+]2CC[C@H](c3ccncc3)C2)CC1 ZINC001173335414 808617795 /nfs/dbraw/zinc/61/77/95/808617795.db2.gz LMRNQVYCKWIEEY-WIHSUSGWSA-N 1 1 269.392 3.343 20 30 CGEDMO C[C@H]1c2cccn2CC[N@H+]1C1CCC(CC#N)CC1 ZINC001173337706 808618983 /nfs/dbraw/zinc/61/89/83/808618983.db2.gz RXZRNOHYPXNUKG-NFOMZHRRSA-N 1 1 257.381 3.337 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(C)C ZINC001268922894 808636007 /nfs/dbraw/zinc/63/60/07/808636007.db2.gz XQKADGMXQNGYSI-HOTGVXAUSA-N 1 1 280.456 3.288 20 30 CGEDMO C=CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCCC1 ZINC001268985024 808640299 /nfs/dbraw/zinc/64/02/99/808640299.db2.gz CWMKBZDIDGMEBX-IYBDPMFKSA-N 1 1 290.451 3.207 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2ccsc2C)C1 ZINC001269023138 808642814 /nfs/dbraw/zinc/64/28/14/808642814.db2.gz NTBSQELAOAXUIU-OCCSQVGLSA-N 1 1 292.448 3.215 20 30 CGEDMO CC1(C#N)CCC(N2CCC([NH+]3CCCC3)CC2)CC1 ZINC001173592447 808648266 /nfs/dbraw/zinc/64/82/66/808648266.db2.gz OUKIKOROMMWZSF-UHFFFAOYSA-N 1 1 275.440 3.019 20 30 CGEDMO CC1(C#N)CCC([N@H+](CCC#N)Cc2cccnc2)CC1 ZINC001173592649 808648655 /nfs/dbraw/zinc/64/86/55/808648655.db2.gz XJFCSNCCYZAAKH-UHFFFAOYSA-N 1 1 282.391 3.270 20 30 CGEDMO CC1(C#N)CCC([N@@H+](CCC#N)Cc2cccnc2)CC1 ZINC001173592649 808648658 /nfs/dbraw/zinc/64/86/58/808648658.db2.gz XJFCSNCCYZAAKH-UHFFFAOYSA-N 1 1 282.391 3.270 20 30 CGEDMO C[N@@H+](Cc1cccc(O)c1)C1CCC(C)(C#N)CC1 ZINC001173592571 808648820 /nfs/dbraw/zinc/64/88/20/808648820.db2.gz UEMFUVAVULTMDH-UHFFFAOYSA-N 1 1 258.365 3.296 20 30 CGEDMO CCCCCCCCCC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2C ZINC001269126808 808648905 /nfs/dbraw/zinc/64/89/05/808648905.db2.gz CGPTYXPZRLEBMV-HOTGVXAUSA-N 1 1 280.456 3.432 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2)C1 ZINC001269208697 808656817 /nfs/dbraw/zinc/65/68/17/808656817.db2.gz POYCOKMXWDTLEQ-NVXWUHKLSA-N 1 1 286.419 3.188 20 30 CGEDMO C=CCCC(=O)N(C)[C@H]1CC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC001269221539 808657898 /nfs/dbraw/zinc/65/78/98/808657898.db2.gz MIEDPJPQQWQSDS-FUHWJXTLSA-N 1 1 298.430 3.173 20 30 CGEDMO C=CCC(CC=C)C(=O)N(C)[C@H]1CC[N@H+](C[C@H](F)CC)C1 ZINC001269245959 808659440 /nfs/dbraw/zinc/65/94/40/808659440.db2.gz POMPLOZJZGOCRE-CVEARBPZSA-N 1 1 296.430 3.036 20 30 CGEDMO C=CC[N@H+](C)C1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001173681343 808664081 /nfs/dbraw/zinc/66/40/81/808664081.db2.gz DNQBAAFWMSRAEP-CHWSQXEVSA-N 1 1 282.428 3.281 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)CCC)C1 ZINC001269301907 808666308 /nfs/dbraw/zinc/66/63/08/808666308.db2.gz NZEZDEXRZRLOPI-HUUCEWRRSA-N 1 1 266.429 3.064 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]1CNC(=O)CC/C=C\c1ccccc1 ZINC001269293083 808666445 /nfs/dbraw/zinc/66/64/45/808666445.db2.gz UYTLTFIYHDCRKN-RLGIIYIFSA-N 1 1 298.430 3.247 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173760652 808670377 /nfs/dbraw/zinc/67/03/77/808670377.db2.gz QKADMRCOGHRFFC-CABCVRRESA-N 1 1 279.432 3.059 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)CCC2CCCCC2)C1 ZINC001269355814 808673244 /nfs/dbraw/zinc/67/32/44/808673244.db2.gz KMLGJJKSLKUFJG-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCCF)C2)C1 ZINC001269692452 808697452 /nfs/dbraw/zinc/69/74/52/808697452.db2.gz LINUZZZWSQRMGK-QGZVFWFLSA-N 1 1 296.430 3.017 20 30 CGEDMO C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@H](C)CCCC)C[C@H]2C1 ZINC001271854928 808785604 /nfs/dbraw/zinc/78/56/04/808785604.db2.gz WUQMFDKEABEBLC-ZACQAIPSSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)c1cccc(C(C)C)c1 ZINC001272146787 808799323 /nfs/dbraw/zinc/79/93/23/808799323.db2.gz ZUUHXJFQMGIDJO-UHFFFAOYSA-N 1 1 288.435 3.390 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCC(C)C)C1 ZINC001272204461 808800236 /nfs/dbraw/zinc/80/02/36/808800236.db2.gz FDDWRFUXAQNSMX-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CN1c2ccccc2[C@]2(CC[N@H+](CC(C)C)C2)C1=O ZINC001272413504 808805495 /nfs/dbraw/zinc/80/54/95/808805495.db2.gz VROXQLPLFLIAML-LJQANCHMSA-N 1 1 298.430 3.209 20 30 CGEDMO C=C(C)CN1CC[C@]2(CCC[N@@H+]2C[C@H](C)CCC)C1=O ZINC001272432001 808808702 /nfs/dbraw/zinc/80/87/02/808808702.db2.gz YIJQZTTUYQIGFG-NVXWUHKLSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CN1CC[C@]2(CC[N@H+](CCCCCCC)C2)C1=O ZINC001272479159 808813757 /nfs/dbraw/zinc/81/37/57/808813757.db2.gz YNLJYPBHLMYYAM-SFHVURJKSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2cc(C)cc(C)c2)C1=O ZINC001273005720 808830843 /nfs/dbraw/zinc/83/08/43/808830843.db2.gz LYYCNYMURHRBRY-LJQANCHMSA-N 1 1 298.430 3.056 20 30 CGEDMO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(C)cc(C)c1 ZINC001273006766 808831530 /nfs/dbraw/zinc/83/15/30/808831530.db2.gz WDYYMWALNOJCHE-QZTJIDSGSA-N 1 1 298.430 3.055 20 30 CGEDMO N#Cc1cc(Nc2cc[nH+]c3ccccc23)cs1 ZINC001174038093 808835798 /nfs/dbraw/zinc/83/57/98/808835798.db2.gz MYMDRQITHKNOIE-UHFFFAOYSA-N 1 1 251.314 3.333 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CCC[N@H+](CC[C@@H](C)F)CC1 ZINC001273445238 808844625 /nfs/dbraw/zinc/84/46/25/808844625.db2.gz JYEGDLBPDKNAEV-HUUCEWRRSA-N 1 1 284.419 3.062 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)CC1=CCCCC1 ZINC001273496351 808850271 /nfs/dbraw/zinc/85/02/71/808850271.db2.gz ZVWSAMGIZQKDTH-UHFFFAOYSA-N 1 1 298.858 3.410 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCN(C)C(=O)CC1=CCCCC1 ZINC001273496351 808850275 /nfs/dbraw/zinc/85/02/75/808850275.db2.gz ZVWSAMGIZQKDTH-UHFFFAOYSA-N 1 1 298.858 3.410 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCN(C)C(=O)c1coc(C)c1 ZINC001273501839 808850364 /nfs/dbraw/zinc/85/03/64/808850364.db2.gz ORPAWRFYCVQWMZ-AWEZNQCLSA-N 1 1 292.423 3.337 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)[C@]12C[C@H]1CCCC2 ZINC001273560094 808854167 /nfs/dbraw/zinc/85/41/67/808854167.db2.gz KCFKGBKYXZKLGG-GDBMZVCRSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCN(C)C(=O)[C@]12C[C@H]1CCCC2 ZINC001273560094 808854175 /nfs/dbraw/zinc/85/41/75/808854175.db2.gz KCFKGBKYXZKLGG-GDBMZVCRSA-N 1 1 298.858 3.100 20 30 CGEDMO CC#CC[N@@H+](C)CCCN(C)C(=O)C(C)(C)CC(C)(C)C ZINC001273591488 808856896 /nfs/dbraw/zinc/85/68/96/808856896.db2.gz SYNXUSUWKVAUNZ-UHFFFAOYSA-N 1 1 294.483 3.252 20 30 CGEDMO C=C(C)CCC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@H+](CC)C1 ZINC001273607447 808858123 /nfs/dbraw/zinc/85/81/23/808858123.db2.gz NPJDLPOLBDHBPL-DLBZAZTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCCCCC)C2 ZINC001273848963 808863259 /nfs/dbraw/zinc/86/32/59/808863259.db2.gz NVBQHKMINWWBOZ-SFHVURJKSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@H+](C(C)C)CC1(C)C ZINC001274437579 808876525 /nfs/dbraw/zinc/87/65/25/808876525.db2.gz VUORVHNHXTZRPG-MRXNPFEDSA-N 1 1 292.467 3.380 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](NC(=O)CCCCC(C)(C)C)C[C@@H]1C ZINC001274623887 808880088 /nfs/dbraw/zinc/88/00/88/808880088.db2.gz NTAINPUYGXYKGB-HOTGVXAUSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C2(C)CCC2)C[C@H]1C ZINC001274632811 808880272 /nfs/dbraw/zinc/88/02/72/808880272.db2.gz BJNYUQKZMSCQNI-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2CCCC(F)(F)F ZINC001274962233 808895194 /nfs/dbraw/zinc/89/51/94/808895194.db2.gz IGVIAUDCFALBTD-OKILXGFUSA-N 1 1 290.373 3.444 20 30 CGEDMO C=CCCCN1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC(F)(F)F ZINC001274962233 808895200 /nfs/dbraw/zinc/89/52/00/808895200.db2.gz IGVIAUDCFALBTD-OKILXGFUSA-N 1 1 290.373 3.444 20 30 CGEDMO C=CCCCN1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC(F)(F)F ZINC001274962233 808895207 /nfs/dbraw/zinc/89/52/07/808895207.db2.gz IGVIAUDCFALBTD-OKILXGFUSA-N 1 1 290.373 3.444 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@@H]1C=CCC1 ZINC001275086469 808905911 /nfs/dbraw/zinc/90/59/11/808905911.db2.gz BRKPJKUPNWSXRD-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](CC)CCCC ZINC001275086543 808906890 /nfs/dbraw/zinc/90/68/90/808906890.db2.gz DCDRYRIYPIRARA-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCC[C@@H]1C[N@H+](C)CCC ZINC001275113656 808909698 /nfs/dbraw/zinc/90/96/98/808909698.db2.gz BUONMZARSSHICP-MRXNPFEDSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]1C[N@@H+](C)CCC(=C)C ZINC001275114933 808910923 /nfs/dbraw/zinc/91/09/23/808910923.db2.gz LOQLLWTZRZRKSN-INIZCTEOSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)C1(C)CC=CC1 ZINC001275142738 808915477 /nfs/dbraw/zinc/91/54/77/808915477.db2.gz CYCUHEJIQXQQNH-MRXNPFEDSA-N 1 1 290.451 3.232 20 30 CGEDMO C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C)CCC(C)(C)C ZINC001275159728 808917710 /nfs/dbraw/zinc/91/77/10/808917710.db2.gz GEYAIWKTSYMYAJ-CVEARBPZSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1cccc(F)c1 ZINC001275759137 808963610 /nfs/dbraw/zinc/96/36/10/808963610.db2.gz RHCFLFMXXRBCBY-KBPBESRZSA-N 1 1 292.398 3.231 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)CNC(=O)c1cc2sccc2s1 ZINC001275865922 808971913 /nfs/dbraw/zinc/97/19/13/808971913.db2.gz QASPLPZDNMDHQN-JTQLQIEISA-N 1 1 294.445 3.199 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)c1ccc(Cl)cc1F ZINC001275873689 808972571 /nfs/dbraw/zinc/97/25/71/808972571.db2.gz NGQZMCQLTYODLM-LLVKDONJSA-N 1 1 298.789 3.105 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)[C@H](C)c1ccsc1 ZINC001275929141 808976892 /nfs/dbraw/zinc/97/68/92/808976892.db2.gz YYCQUQTVIJTJNW-ZIAGYGMSSA-N 1 1 294.464 3.254 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](F)c1ccccc1 ZINC001275947919 808979355 /nfs/dbraw/zinc/97/93/55/808979355.db2.gz YVHGOEYYPAHYTR-HOCLYGCPSA-N 1 1 292.398 3.100 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CCC[C@@]2(CN(C)CCO2)C1 ZINC001276042969 808985767 /nfs/dbraw/zinc/98/57/67/808985767.db2.gz NPRSYBACUDQWHB-GOSISDBHSA-N 1 1 294.483 3.310 20 30 CGEDMO C=CCCCCC[NH+]1CC2(CN(C3CCCC3)C2)C1 ZINC001276041470 808986114 /nfs/dbraw/zinc/98/61/14/808986114.db2.gz XVTACCDHSKLJCR-UHFFFAOYSA-N 1 1 262.441 3.293 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)C1(C)CC(=C)C1 ZINC001276319544 809001368 /nfs/dbraw/zinc/00/13/68/809001368.db2.gz LIXGMLLBTGNXGD-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC(=O)N[C@H]1C[N@H+](CCCCCC)CC1(C)C ZINC001276560761 809017633 /nfs/dbraw/zinc/01/76/33/809017633.db2.gz FEPSCAZMNOPHAF-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CCCCCC(=O)N[C@@H]1C[N@H+](CCC(C)C)CC1(C)C ZINC001276578493 809017975 /nfs/dbraw/zinc/01/79/75/809017975.db2.gz HQQLXQPDNUEBAR-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C2(CCCC)CC2)C(C)(C)C1 ZINC001276607536 809020263 /nfs/dbraw/zinc/02/02/63/809020263.db2.gz LDXDMIXCYSVHDV-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H]1C[N@@H+](CC=C(C)C)CC1(C)C ZINC001276608946 809020406 /nfs/dbraw/zinc/02/04/06/809020406.db2.gz TXXGZPIBIGCRFA-MAUKXSAKSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)C[C@H]2CC=CCC2)CC1 ZINC001277417544 809074020 /nfs/dbraw/zinc/07/40/20/809074020.db2.gz NXOQZSLNAVSRIO-INIZCTEOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C1CCN(C(=O)[C@H](F)C(C)C)CC1 ZINC001277417881 809074656 /nfs/dbraw/zinc/07/46/56/809074656.db2.gz ZJMCHIYYZRFFRN-GDBMZVCRSA-N 1 1 298.446 3.258 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)CCCC)C2)C1 ZINC001277502089 809077080 /nfs/dbraw/zinc/07/70/80/809077080.db2.gz IIFGPMPJXOQZDS-SJLPKXTDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)CC(C)(C)C)CCC[C@@H]12 ZINC001278430858 809132755 /nfs/dbraw/zinc/13/27/55/809132755.db2.gz JZGUTQBWXQXOSL-RHSMWYFYSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@]2(NC(=O)CCC=C)CCC[C@H]12 ZINC001278441170 809133849 /nfs/dbraw/zinc/13/38/49/809133849.db2.gz XJGOORZEERLTLO-RDJZCZTQSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@](C)(NC(=O)C2CCC=CCC2)C1 ZINC001278444265 809135056 /nfs/dbraw/zinc/13/50/56/809135056.db2.gz POIXQIXXEBUNIY-SFHVURJKSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@H](C)C(CC)CC)CCC[C@@H]12 ZINC001278450488 809135075 /nfs/dbraw/zinc/13/50/75/809135075.db2.gz DDPNBZNZCLZIOE-QGPMSJSTSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)CC(C)(C)C2CC2)[C@H]1C ZINC001278511947 809138901 /nfs/dbraw/zinc/13/89/01/809138901.db2.gz YWJVQWOCZYKRQG-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)CC2CCCCC2)C1 ZINC001278642247 809148189 /nfs/dbraw/zinc/14/81/89/809148189.db2.gz XLHXUISZIWYIAL-SFHVURJKSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)c2ccccc2)C1 ZINC001278641348 809148368 /nfs/dbraw/zinc/14/83/68/809148368.db2.gz GEQNKXWIYGZBAG-GOSISDBHSA-N 1 1 286.419 3.095 20 30 CGEDMO C=CC[N@@H+]1CCC[C@](C)(CNC(=O)C2(CCC)CCC2)C1 ZINC001278673378 809150778 /nfs/dbraw/zinc/15/07/78/809150778.db2.gz RUGANHPEKBVNLZ-QGZVFWFLSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCCCC(=O)NC[C@@]1(C)CCC[N@@H+](CC2CCC2)C1 ZINC001278678128 809151767 /nfs/dbraw/zinc/15/17/67/809151767.db2.gz OFXLHFZWAXLIGN-GOSISDBHSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)C2(C)CC(=C)C2)C1 ZINC001278678315 809152068 /nfs/dbraw/zinc/15/20/68/809152068.db2.gz PQQISAXZGMXWPC-QGZVFWFLSA-N 1 1 290.451 3.137 20 30 CGEDMO CC#CC[N@@H+](C)CCN(C(=O)[C@@H]1CCC[C@@H](C)C1)C(C)C ZINC001278917786 809155196 /nfs/dbraw/zinc/15/51/96/809155196.db2.gz IVOIYCFXNUCNFF-IAGOWNOFSA-N 1 1 292.467 3.005 20 30 CGEDMO C#CC[N@H+](C)CCN(C(=O)CCCC1CCCC1)C(C)C ZINC001278929317 809156377 /nfs/dbraw/zinc/15/63/77/809156377.db2.gz BSFAUUOIHNRIQB-UHFFFAOYSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccccc1CNC(=O)C(C)(C)F ZINC001280315931 809184378 /nfs/dbraw/zinc/18/43/78/809184378.db2.gz UGDXWAIJOZYEDD-UHFFFAOYSA-N 1 1 292.398 3.059 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)C(C)C)CC1 ZINC001280761733 809197124 /nfs/dbraw/zinc/19/71/24/809197124.db2.gz ZSJTUCFBLNAJAR-HOTGVXAUSA-N 1 1 280.456 3.215 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)C(CC)(CC)CC)CC1 ZINC001280761177 809197964 /nfs/dbraw/zinc/19/79/64/809197964.db2.gz VOMJVVHVWJHYSA-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)C(C)=C1CCCC1 ZINC001280802650 809200655 /nfs/dbraw/zinc/20/06/55/809200655.db2.gz MGBCSVNWARBOML-UHFFFAOYSA-N 1 1 278.440 3.233 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C(C)(C)C)C(C)(C)C1 ZINC001281559314 809215438 /nfs/dbraw/zinc/21/54/38/809215438.db2.gz WVGJHNLKGAWTMI-CABCVRRESA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](C/C=C\Cl)[C@@H](C)C1 ZINC001281677952 809217473 /nfs/dbraw/zinc/21/74/73/809217473.db2.gz XULAQUMMWWAUOK-UMBVUCBTSA-N 1 1 298.858 3.310 20 30 CGEDMO C=CC[N@H+](CC)CC1CCN(C(=O)C[C@@H](C)CC)CC1 ZINC001281830395 809220804 /nfs/dbraw/zinc/22/08/04/809220804.db2.gz FLSXRHCXKDLEKC-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)/C=C(/C)C1CC1 ZINC001281918012 809223928 /nfs/dbraw/zinc/22/39/28/809223928.db2.gz YPCRIEBAZBZOGS-HMVFGEFZSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)/C=C(/C)C1CC1 ZINC001281918012 809223935 /nfs/dbraw/zinc/22/39/35/809223935.db2.gz YPCRIEBAZBZOGS-HMVFGEFZSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C1CC2(CCC2)C1 ZINC001281953143 809225227 /nfs/dbraw/zinc/22/52/27/809225227.db2.gz RWIPKIKOQOQWKV-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C(C)C)C2)C1 ZINC001281976024 809226041 /nfs/dbraw/zinc/22/60/41/809226041.db2.gz RVFUYDQZPTUICC-IRXDYDNUSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC(=O)NC[C@H](C)[N@H+](C)Cc1ccc(CC)cc1 ZINC001282365346 809245213 /nfs/dbraw/zinc/24/52/13/809245213.db2.gz VTGZDQVKFWCOCC-HNNXBMFYSA-N 1 1 288.435 3.152 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC1(C)C ZINC001282448817 809248901 /nfs/dbraw/zinc/24/89/01/809248901.db2.gz DHUPPLZLFGOTOX-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H](C)CNC(=O)C(C)(C)C ZINC001282485772 809250861 /nfs/dbraw/zinc/25/08/61/809250861.db2.gz MKTNWJNUNZLCLL-CQSZACIVSA-N 1 1 268.445 3.215 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)c1ccc(Cl)s1 ZINC001282487059 809251916 /nfs/dbraw/zinc/25/19/16/809251916.db2.gz UNYMDEDXZZZURT-JTQLQIEISA-N 1 1 286.828 3.028 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)CSC(C)C ZINC001282654143 809256483 /nfs/dbraw/zinc/25/64/83/809256483.db2.gz DMLUVJOTQOUDEY-OAHLLOKOSA-N 1 1 298.496 3.065 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)/C=C(\C)C2CC2)C(C)(C)C1 ZINC001282791954 809263368 /nfs/dbraw/zinc/26/33/68/809263368.db2.gz RGOUYDRNNYGULC-HFQYIWAZSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCC)C[C@H]2C1 ZINC001282938038 809266523 /nfs/dbraw/zinc/26/65/23/809266523.db2.gz JBSHEJRWKGTECJ-SOUVJXGZSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)CCC)C[C@@H]2C1 ZINC001282957534 809267037 /nfs/dbraw/zinc/26/70/37/809267037.db2.gz GYDJRHIANRYAKG-XHSDSOJGSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC([N@@H+](C)C/C=C\Cl)CC1 ZINC001283310360 809275181 /nfs/dbraw/zinc/27/51/81/809275181.db2.gz KUESDYMKIHBHHQ-TWGQIWQCSA-N 1 1 298.858 3.264 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)C[C@H](C=C)CC)CC1 ZINC001283326589 809277173 /nfs/dbraw/zinc/27/71/73/809277173.db2.gz YTGFQOQTOUELTG-OAHLLOKOSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CCC[N@H+](CCCC(C)C)[C@@H]1C ZINC001284122222 809296731 /nfs/dbraw/zinc/29/67/31/809296731.db2.gz RZTAQQWGBGWQGM-HZPDHXFCSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)[C@H]1C[C@]1(C)C(C)C)C(C)C ZINC001284552966 809309957 /nfs/dbraw/zinc/30/99/57/809309957.db2.gz BLMWTAWXQWBKDM-SJLPKXTDSA-N 1 1 294.483 3.414 20 30 CGEDMO CC(C)(C#N)CC(=O)Nc1cccc2c1C[N@H+](C1CC1)C2 ZINC001295930097 809495899 /nfs/dbraw/zinc/49/58/99/809495899.db2.gz GWELMJBEZPWWMC-UHFFFAOYSA-N 1 1 283.375 3.043 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)c1ccc(Cl)c(C)c1 ZINC001297372809 809516596 /nfs/dbraw/zinc/51/65/96/809516596.db2.gz GADAROJOEBYDRU-UHFFFAOYSA-N 1 1 294.826 3.228 20 30 CGEDMO C[C@H]1c2sccc2CC[N@H+]1Cc1cc(C#N)ccn1 ZINC001175832113 809551252 /nfs/dbraw/zinc/55/12/52/809551252.db2.gz VTKSGFPYMBFKAV-NSHDSACASA-N 1 1 269.373 3.134 20 30 CGEDMO C[C@H]1c2sccc2CC[N@@H+]1Cc1cc(C#N)ccn1 ZINC001175832113 809551255 /nfs/dbraw/zinc/55/12/55/809551255.db2.gz VTKSGFPYMBFKAV-NSHDSACASA-N 1 1 269.373 3.134 20 30 CGEDMO N#Cc1sccc1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001175856080 809558789 /nfs/dbraw/zinc/55/87/89/809558789.db2.gz DONBPNATZMCTKT-UHFFFAOYSA-N 1 1 299.399 3.196 20 30 CGEDMO C=CC[C@@H](C)[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC001176262676 809658449 /nfs/dbraw/zinc/65/84/49/809658449.db2.gz LYUMLPOAINDYIA-QRQLOZEOSA-N 1 1 284.447 3.405 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC001176262676 809658451 /nfs/dbraw/zinc/65/84/51/809658451.db2.gz LYUMLPOAINDYIA-QRQLOZEOSA-N 1 1 284.447 3.405 20 30 CGEDMO CCCCCCCC[N@H+]1CCC[C@@H]2C[C@@]21C(=O)OC ZINC001176373745 809682184 /nfs/dbraw/zinc/68/21/84/809682184.db2.gz YTXUHQJVZIZCTO-ZBFHGGJFSA-N 1 1 267.413 3.374 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1cc(C)ccc1OC(F)F ZINC001177905638 809830498 /nfs/dbraw/zinc/83/04/98/809830498.db2.gz RUZPYJSTSDOOSK-UHFFFAOYSA-N 1 1 261.699 3.439 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@]1(C)CCCCO1 ZINC001181686023 810066448 /nfs/dbraw/zinc/06/64/48/810066448.db2.gz DJGSJSWRXUPIKN-KRWDZBQOSA-N 1 1 293.407 3.109 20 30 CGEDMO C#C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1ccc(Cl)cc1F ZINC001181697131 810067051 /nfs/dbraw/zinc/06/70/51/810067051.db2.gz FQONLYGGIZXKTG-NZVBXONLSA-N 1 1 281.758 3.311 20 30 CGEDMO C=CCC1(C[NH2+][C@H](C)C(=O)OC(C)(C)C)CCCC1 ZINC001181754130 810070049 /nfs/dbraw/zinc/07/00/49/810070049.db2.gz WTZVDJKKQDOPBQ-CYBMUJFWSA-N 1 1 267.413 3.443 20 30 CGEDMO C=CCC[C@H]([NH2+][C@H]1CC(C)(C)C[C@H]1C)C(=O)OCC ZINC001181826912 810075050 /nfs/dbraw/zinc/07/50/50/810075050.db2.gz HZFXOHDKZTWOFP-RDBSUJKOSA-N 1 1 267.413 3.299 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CC[C@H](CC#C)C1 ZINC001183065196 810136337 /nfs/dbraw/zinc/13/63/37/810136337.db2.gz IBRUSVOYHBGEPT-AWEZNQCLSA-N 1 1 287.790 3.197 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CC3CCC3)[C@@H]2C1 ZINC001187456365 810399806 /nfs/dbraw/zinc/39/98/06/810399806.db2.gz SGBZNWQVASVRRT-HYVNUMGLSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C=C(CC)CC)[C@@H]2C1 ZINC001187539792 810403152 /nfs/dbraw/zinc/40/31/52/810403152.db2.gz YHBFVKQHLFQTCD-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](F)CC)[C@@H]2C1 ZINC001188801449 810515937 /nfs/dbraw/zinc/51/59/37/810515937.db2.gz SSDUJMVTWFWXCQ-HRCADAONSA-N 1 1 298.446 3.238 20 30 CGEDMO C=C/C(C)=C\CC(=O)N1CC[C@H]2C[N@H+](CCC(=C)C)C[C@H]21 ZINC001188857202 810519423 /nfs/dbraw/zinc/51/94/23/810519423.db2.gz WWMKIWYHOBJNPO-AKLXSSKXSA-N 1 1 288.435 3.008 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](CC)CCCC)C1 ZINC001188991831 810530778 /nfs/dbraw/zinc/53/07/78/810530778.db2.gz IGKZNKULTAYZFU-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)CC(C)(C)C)[C@@H]2C1 ZINC001189230340 810550301 /nfs/dbraw/zinc/55/03/01/810550301.db2.gz MUTRFANYTIBYJZ-OWCLPIDISA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)CC2=CCCCC2)C1 ZINC001189354228 810563131 /nfs/dbraw/zinc/56/31/31/810563131.db2.gz OBNUYQACXLDJHZ-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C2C(C)(C)C2(C)C)C1 ZINC001189557172 810576298 /nfs/dbraw/zinc/57/62/98/810576298.db2.gz QZKZAPJNMIDMGK-AWEZNQCLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CCC2CCC2)C1 ZINC001189564903 810578154 /nfs/dbraw/zinc/57/81/54/810578154.db2.gz IWIHRJSTSHAQRG-NVXWUHKLSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccoc2Cl)C1 ZINC001189867239 810591969 /nfs/dbraw/zinc/59/19/69/810591969.db2.gz VZOPJRAMVYQUCL-GFCCVEGCSA-N 1 1 296.798 3.046 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)c2cc[nH]c2)C1 ZINC001190290075 810618938 /nfs/dbraw/zinc/61/89/38/810618938.db2.gz IWNWIZPMWSHWOE-INIZCTEOSA-N 1 1 291.439 3.131 20 30 CGEDMO C#CCC[N@H+](C)[C@H]1CCN(C(=O)CCC[C@@H](C)CCC)C1 ZINC001190369265 810623704 /nfs/dbraw/zinc/62/37/04/810623704.db2.gz AVQLPQHZGCWJAS-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO C#CCC[N@H+](C)[C@H]1CCN(C(=O)CCCC[C@@H](C)CC)C1 ZINC001190361620 810624165 /nfs/dbraw/zinc/62/41/65/810624165.db2.gz FWGBRGYVGQKXDN-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[C@@H]([N@H+](C)CC[C@@H](C)F)C1 ZINC001190354823 810624175 /nfs/dbraw/zinc/62/41/75/810624175.db2.gz QRTQFNQNPVNHDV-GDBMZVCRSA-N 1 1 296.430 3.036 20 30 CGEDMO CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc(C#N)ccn1 ZINC001191038397 810663992 /nfs/dbraw/zinc/66/39/92/810663992.db2.gz JOWZZIUYGCWWHX-GOSISDBHSA-N 1 1 277.371 3.463 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@](C)(F)CCCC)C1 ZINC001191038743 810665338 /nfs/dbraw/zinc/66/53/38/810665338.db2.gz BQTNPWAPBMZGMS-HOCLYGCPSA-N 1 1 284.419 3.014 20 30 CGEDMO C[C@@H](Cc1ccsc1)[N@@H+](C)Cc1cncc(C#N)c1 ZINC001191408317 810711771 /nfs/dbraw/zinc/71/17/71/810711771.db2.gz NVRHIAOEOSJNFX-LBPRGKRZSA-N 1 1 271.389 3.078 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)C2CCC2)C1 ZINC001191575767 810725736 /nfs/dbraw/zinc/72/57/36/810725736.db2.gz DFOXEKPYCFZFFN-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)CCCCCC)C1 ZINC001191719206 810732503 /nfs/dbraw/zinc/73/25/03/810732503.db2.gz JTSDKMRUGNQOBF-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[C@@H]2C)C1 ZINC001191771559 810738040 /nfs/dbraw/zinc/73/80/40/810738040.db2.gz KAFNKYJEUSQVRL-JYJNAYRXSA-N 1 1 280.456 3.146 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[C@H]([N@@H+](C)CCC(C)C)C1 ZINC001191889120 810754933 /nfs/dbraw/zinc/75/49/33/810754933.db2.gz BEHJVJULESJDOR-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]([N@@H+](C)CC2CCCC2)C1 ZINC001191902486 810756188 /nfs/dbraw/zinc/75/61/88/810756188.db2.gz OZTMLESMRRVGLP-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)C(CCC)CCC)C1 ZINC001192016384 810767197 /nfs/dbraw/zinc/76/71/97/810767197.db2.gz GNXKBWQICGERTI-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC1(C(=O)N2CC[C@@H]([N@H+](C)C[C@H](F)CC)C2)CC1 ZINC001192204983 810775531 /nfs/dbraw/zinc/77/55/31/810775531.db2.gz BBPJLSHTLIPRJA-HUUCEWRRSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@H]([N@H+](C)CCCCC)C2)CCC1 ZINC001192225721 810777402 /nfs/dbraw/zinc/77/74/02/810777402.db2.gz BCCYKRRMFSMBNK-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C2(CC=C)CCC2)C1 ZINC001192227707 810778405 /nfs/dbraw/zinc/77/84/05/810778405.db2.gz TUPXPCHJADVRAS-INIZCTEOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@@H]([N@@H+](C)C/C=C\Cl)C2)CCC1 ZINC001192226619 810778813 /nfs/dbraw/zinc/77/88/13/810778813.db2.gz KRYZBDWDTYSWSF-XTXQVDMPSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)C[C@H](C)CCC=C(C)C)C1 ZINC001192471480 810801588 /nfs/dbraw/zinc/80/15/88/810801588.db2.gz DEPCFZKIUOSRFI-SJORKVTESA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)CC=C(C)C)C1 ZINC001192577926 810807058 /nfs/dbraw/zinc/80/70/58/810807058.db2.gz JVIXQRJVFMUUPJ-OAHLLOKOSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@@H]([N@H+](C)C[C@H](C)CC)C1 ZINC001192578564 810807873 /nfs/dbraw/zinc/80/78/73/810807873.db2.gz PYGVPTBTRCYVIG-HUUCEWRRSA-N 1 1 280.456 3.168 20 30 CGEDMO CCCCCCC[C@H](C)NC(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC001192926375 810829626 /nfs/dbraw/zinc/82/96/26/810829626.db2.gz BIDOBWFEXDFRPC-HRCADAONSA-N 1 1 297.487 3.469 20 30 CGEDMO CCCCCCC[C@H](C)NC(=O)NCCn1cc[nH+]c1C ZINC001192944328 810832340 /nfs/dbraw/zinc/83/23/40/810832340.db2.gz NQRFKAMMOURMKM-AWEZNQCLSA-N 1 1 294.443 3.240 20 30 CGEDMO CCCCCCC[C@H](C)NC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC001192944454 810832910 /nfs/dbraw/zinc/83/29/10/810832910.db2.gz TUDMICWNJHJIAW-GJZGRUSLSA-N 1 1 283.460 3.129 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)C(CC)(CC)CC)C1 ZINC001193055979 810848075 /nfs/dbraw/zinc/84/80/75/810848075.db2.gz CTGLKNOXRYTKIZ-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C2(CC)CCCC2)C1 ZINC001193155318 810861325 /nfs/dbraw/zinc/86/13/25/810861325.db2.gz IPVXANGLAHGMDN-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H](C)C2(CCCCC2)C1 ZINC001193637638 810926294 /nfs/dbraw/zinc/92/62/94/810926294.db2.gz ZNYRXCSOOGWGNV-ZIAGYGMSSA-N 1 1 265.397 3.006 20 30 CGEDMO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@H](C)C2(CCCCC2)C1 ZINC001193637638 810926295 /nfs/dbraw/zinc/92/62/95/810926295.db2.gz ZNYRXCSOOGWGNV-ZIAGYGMSSA-N 1 1 265.397 3.006 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C2CCC=CCC2)C1 ZINC001194060565 811008802 /nfs/dbraw/zinc/00/88/02/811008802.db2.gz MOXXOPNCHPENPF-QGZVFWFLSA-N 1 1 290.451 3.232 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC001194058660 811008980 /nfs/dbraw/zinc/00/89/80/811008980.db2.gz UJAYOQNYJPYDJF-UHFFFAOYSA-N 1 1 260.340 3.290 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@@H]([N@@H+](C)CCCF)C2)CCCC1 ZINC001194556472 811090500 /nfs/dbraw/zinc/09/05/00/811090500.db2.gz WLNLYBBRPYDVSN-OAHLLOKOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@@H]2CC=CCC2)CC1 ZINC001194803029 811138975 /nfs/dbraw/zinc/13/89/75/811138975.db2.gz XSXCZPLRUMRJKT-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)CSC(C)C)CC1 ZINC001194896891 811165582 /nfs/dbraw/zinc/16/55/82/811165582.db2.gz AZHFMNNUIWVREF-OAHLLOKOSA-N 1 1 298.496 3.017 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001194898434 811165737 /nfs/dbraw/zinc/16/57/37/811165737.db2.gz HVULYABBHUFOIB-CABCVRRESA-N 1 1 296.455 3.435 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H](C3CCC3)C2)cc1 ZINC001195147479 811216719 /nfs/dbraw/zinc/21/67/19/811216719.db2.gz MUOJMXLFDKZPDN-KRWDZBQOSA-N 1 1 296.414 3.119 20 30 CGEDMO C=CCCC(=O)N1CCC[N@H+]([C@H]2CCc3ccccc32)CC1 ZINC001195226119 811229469 /nfs/dbraw/zinc/22/94/69/811229469.db2.gz MZVQKAJLQVWHMJ-SFHVURJKSA-N 1 1 298.430 3.174 20 30 CGEDMO C=CCCC(=O)N1CCC[N@@H+](CC2CC3(CCC3)C2)CC1 ZINC001195226536 811229920 /nfs/dbraw/zinc/22/99/20/811229920.db2.gz SFCHAYLDYYQFPZ-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCCCCC[N@H+]1CCCN(C(=O)C2=CCCC2)CC1 ZINC001195472554 811258744 /nfs/dbraw/zinc/25/87/44/811258744.db2.gz GLTJPIYEQIMUNC-UHFFFAOYSA-N 1 1 290.451 3.377 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C[C@H](C)CC)CC1 ZINC001195666737 811276342 /nfs/dbraw/zinc/27/63/42/811276342.db2.gz CHMSLAVOHAYBDF-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@@H](F)C2)CC1 ZINC001195768546 811289513 /nfs/dbraw/zinc/28/95/13/811289513.db2.gz DAHMVSHDBHAHIR-JKSUJKDBSA-N 1 1 296.430 3.015 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC001195810990 811294899 /nfs/dbraw/zinc/29/48/99/811294899.db2.gz XNZOXVZNFAOEFK-LSDHHAIUSA-N 1 1 282.428 3.167 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCC[N@@H+](CCC2CC2)CC1 ZINC001195966845 811305925 /nfs/dbraw/zinc/30/59/25/811305925.db2.gz ZFASRNNBXLPPRE-UHFFFAOYSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCC[N@@H+](C/C=C\Cl)CC1 ZINC001195966461 811306131 /nfs/dbraw/zinc/30/61/31/811306131.db2.gz GIEPNFNFGSWKGK-UITAMQMPSA-N 1 1 296.842 3.042 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCC[N@H+](C/C=C\Cl)CC1 ZINC001195966461 811306141 /nfs/dbraw/zinc/30/61/41/811306141.db2.gz GIEPNFNFGSWKGK-UITAMQMPSA-N 1 1 296.842 3.042 20 30 CGEDMO CCC[N@@H+](C)CC(C)(C)NCc1cc(Cl)cc(C#N)c1 ZINC001196367531 811336838 /nfs/dbraw/zinc/33/68/38/811336838.db2.gz KQILQNADEQGPQD-UHFFFAOYSA-N 1 1 293.842 3.422 20 30 CGEDMO CCCN(C)CC(C)(C)[NH2+]Cc1cc(Cl)cc(C#N)c1 ZINC001196367531 811336845 /nfs/dbraw/zinc/33/68/45/811336845.db2.gz KQILQNADEQGPQD-UHFFFAOYSA-N 1 1 293.842 3.422 20 30 CGEDMO C#CCCCCCC(=O)N1CCC[N@H+](CCC(C)C)CC1 ZINC001196754111 811360971 /nfs/dbraw/zinc/36/09/71/811360971.db2.gz RMGYFBOUTWPLIZ-UHFFFAOYSA-N 1 1 292.467 3.151 20 30 CGEDMO CCCCCCC[N@H+]1CCCN(C(=O)[C@H](F)CC)CC1 ZINC001196774627 811364629 /nfs/dbraw/zinc/36/46/29/811364629.db2.gz IDKQGIUGAJFNHO-OAHLLOKOSA-N 1 1 286.435 3.239 20 30 CGEDMO C=CCCCCC[N@H+]1CCCCCCNC(=O)CC1 ZINC001196809814 811370095 /nfs/dbraw/zinc/37/00/95/811370095.db2.gz XMTQXMVMKAKFNE-UHFFFAOYSA-N 1 1 266.429 3.115 20 30 CGEDMO C=CCCC1(C(=O)N2CCC[N@@H+](C/C=C\Cl)CC2)CC1 ZINC001197062252 811393706 /nfs/dbraw/zinc/39/37/06/811393706.db2.gz NUMGWMZEBGYTTA-WTKPLQERSA-N 1 1 296.842 3.020 20 30 CGEDMO C=CCCC1(C(=O)N2CCC[N@H+](C/C=C\Cl)CC2)CC1 ZINC001197062252 811393714 /nfs/dbraw/zinc/39/37/14/811393714.db2.gz NUMGWMZEBGYTTA-WTKPLQERSA-N 1 1 296.842 3.020 20 30 CGEDMO C=CCCC1(C(=O)N2CCC[N@H+](C[C@H](C)CC)CC2)CC1 ZINC001197062123 811395210 /nfs/dbraw/zinc/39/52/10/811395210.db2.gz JCLRJQOJJNDBTG-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[N@@H+](CCCCCF)CC2)C1 ZINC001197101816 811398855 /nfs/dbraw/zinc/39/88/55/811398855.db2.gz LMRNSHBPCZZVNO-UHFFFAOYSA-N 1 1 296.430 3.017 20 30 CGEDMO C#CC[N@H+](Cc1ccn(CCc2ccccc2)n1)C(C)(C)C ZINC001197929626 811464870 /nfs/dbraw/zinc/46/48/70/811464870.db2.gz JCANYVZKIVZNDM-UHFFFAOYSA-N 1 1 295.430 3.360 20 30 CGEDMO C#CC[N@@H+](Cc1ccn(CCc2ccccc2)n1)C(C)(C)C ZINC001197929626 811464874 /nfs/dbraw/zinc/46/48/74/811464874.db2.gz JCANYVZKIVZNDM-UHFFFAOYSA-N 1 1 295.430 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)c2ccc(F)s2)CC1 ZINC001198358836 811494836 /nfs/dbraw/zinc/49/48/36/811494836.db2.gz ZIJJMOTZCOXABZ-UHFFFAOYSA-N 1 1 296.411 3.001 20 30 CGEDMO CCc1ccc(C[N@H+]2CCc3c(C#N)c(N)sc3C2)cc1 ZINC001198414238 811499573 /nfs/dbraw/zinc/49/95/73/811499573.db2.gz IXFCHCUEDVPNSK-UHFFFAOYSA-N 1 1 297.427 3.323 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001198490230 811508841 /nfs/dbraw/zinc/50/88/41/811508841.db2.gz IMDKKXZXRQPKAB-HNNXBMFYSA-N 1 1 294.439 3.284 20 30 CGEDMO N#CCCC[N@@H+]1CCCC[C@@H]1Cc1ccc(O)cc1 ZINC001198604075 811522906 /nfs/dbraw/zinc/52/29/06/811522906.db2.gz HADHNXGSSJYANN-OAHLLOKOSA-N 1 1 258.365 3.093 20 30 CGEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](C[C@@H](C)CC)CCO2 ZINC001201510151 811875384 /nfs/dbraw/zinc/87/53/84/811875384.db2.gz YJXGPIDYVZBLJV-YESZJQIVSA-N 1 1 281.440 3.106 20 30 CGEDMO CC[C@@H](C)C[N@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001201516418 811879124 /nfs/dbraw/zinc/87/91/24/811879124.db2.gz XZUASSKDNDHQKS-RHSMWYFYSA-N 1 1 272.392 3.448 20 30 CGEDMO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](CCC(C)C)C2 ZINC001201618368 811921662 /nfs/dbraw/zinc/92/16/62/811921662.db2.gz UZHJEKKJGRGXLH-SJORKVTESA-N 1 1 281.440 3.106 20 30 CGEDMO CCCC[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001201723129 811946943 /nfs/dbraw/zinc/94/69/43/811946943.db2.gz SCJKXTMEIWWRSS-MRXNPFEDSA-N 1 1 258.365 3.202 20 30 CGEDMO C=CCN1C(=O)CC[C@@]12CCC[N@H+](CCCCC)CC2 ZINC001201730464 811949571 /nfs/dbraw/zinc/94/95/71/811949571.db2.gz IZZOKNRQUNDXPY-QGZVFWFLSA-N 1 1 278.440 3.210 20 30 CGEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](CCC(C)(C)C)C2 ZINC001202073283 812009813 /nfs/dbraw/zinc/00/98/13/812009813.db2.gz LVUADHXLQBRNHR-SJLPKXTDSA-N 1 1 295.467 3.496 20 30 CGEDMO N#Cc1ccc(C=CNc2cc[nH+]cc2C(F)(F)F)cc1 ZINC001203298990 812300270 /nfs/dbraw/zinc/30/02/70/812300270.db2.gz FYOMSIOSCJEGPI-VMPITWQZSA-N 1 1 289.260 3.477 20 30 CGEDMO Cc1cnc(C)c(Nc2sc3c(c2C#N)CC[N@H+](C)C3)c1 ZINC001203655064 812416678 /nfs/dbraw/zinc/41/66/78/812416678.db2.gz VYDLDLCWZDMFHJ-UHFFFAOYSA-N 1 1 298.415 3.363 20 30 CGEDMO C[N@@H+](CCc1cccc(F)c1)Cc1cccc(C#N)c1 ZINC001203763777 812458015 /nfs/dbraw/zinc/45/80/15/812458015.db2.gz KWUOCZWYMYJFFU-UHFFFAOYSA-N 1 1 268.335 3.372 20 30 CGEDMO N#Cc1cccc(N2CC[NH+](Cc3cccc(F)c3)CC2)c1 ZINC001203788831 812462662 /nfs/dbraw/zinc/46/26/62/812462662.db2.gz FCWBYXMWZYWJDO-UHFFFAOYSA-N 1 1 295.361 3.020 20 30 CGEDMO Cc1[nH]c2ccccc2c1C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001204289775 812600125 /nfs/dbraw/zinc/60/01/25/812600125.db2.gz NSSPLNSFCZBSGQ-MRXNPFEDSA-N 1 1 298.411 3.250 20 30 CGEDMO Cc1[nH]c2ccccc2c1C[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001204289775 812600128 /nfs/dbraw/zinc/60/01/28/812600128.db2.gz NSSPLNSFCZBSGQ-MRXNPFEDSA-N 1 1 298.411 3.250 20 30 CGEDMO Cc1[nH]c2ccccc2c1C[N@H+]1CCC2SC(=O)C=C2C1 ZINC001204289775 812600132 /nfs/dbraw/zinc/60/01/32/812600132.db2.gz NSSPLNSFCZBSGQ-MRXNPFEDSA-N 1 1 298.411 3.250 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)cc1 ZINC001204297803 812604586 /nfs/dbraw/zinc/60/45/86/812604586.db2.gz SJEOJKRDYCIOOQ-BPUTZDHNSA-N 1 1 261.340 3.041 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)cc1 ZINC001204297803 812604591 /nfs/dbraw/zinc/60/45/91/812604591.db2.gz SJEOJKRDYCIOOQ-BPUTZDHNSA-N 1 1 261.340 3.041 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204321745 812613441 /nfs/dbraw/zinc/61/34/41/812613441.db2.gz JYSFDMUKDJUHMX-INIZCTEOSA-N 1 1 283.419 3.412 20 30 CGEDMO C[C@@H](CC#N)[N@@H+](C)CCCc1ccc(F)c(F)c1 ZINC001204497445 812657236 /nfs/dbraw/zinc/65/72/36/812657236.db2.gz OYPVIGRQRXSZMQ-NSHDSACASA-N 1 1 252.308 3.131 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cccc(C(=O)OC)c1 ZINC001204679942 812707257 /nfs/dbraw/zinc/70/72/57/812707257.db2.gz VPDBDHZXFXIZQX-UHFFFAOYSA-N 1 1 261.365 3.261 20 30 CGEDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](OCc1ccc(C#N)cc1)C2 ZINC001205604550 813021149 /nfs/dbraw/zinc/02/11/49/813021149.db2.gz UZWRSWAIJZQMMG-PIIMJCKOSA-N 1 1 284.403 3.479 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1ccccc1NC)c1ccc(F)cc1 ZINC001205980332 813150451 /nfs/dbraw/zinc/15/04/51/813150451.db2.gz HSKBNKQDWMJGDA-MRXNPFEDSA-N 1 1 268.335 3.332 20 30 CGEDMO C[C@@]1(C[NH3+])CCCN(Cc2ccc(Cl)cc2C#N)CC1 ZINC001206318821 813287461 /nfs/dbraw/zinc/28/74/61/813287461.db2.gz UOPHRPCEXFDYGZ-MRXNPFEDSA-N 1 1 291.826 3.163 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)/C(C)=C\CC)C1 ZINC001206350112 813300598 /nfs/dbraw/zinc/30/05/98/813300598.db2.gz IYHJCJUWUCXQNE-BOROGLOUSA-N 1 1 278.440 3.134 20 30 CGEDMO CCc1cc(CN2CCCC[C@@](C)(C[NH3+])C2)ccc1C#N ZINC001206574238 813358720 /nfs/dbraw/zinc/35/87/20/813358720.db2.gz RLAKSTDBTGKAAZ-SFHVURJKSA-N 1 1 285.435 3.072 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1Nc1ccc(C#N)cc1F ZINC001206738096 813414322 /nfs/dbraw/zinc/41/43/22/813414322.db2.gz WCWSKABJKWLVHK-UHFFFAOYSA-N 1 1 270.311 3.210 20 30 CGEDMO C=C(C)CO[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001206750558 813419765 /nfs/dbraw/zinc/41/97/65/813419765.db2.gz KCHFCAZXFXNTIE-RCCFBDPRSA-N 1 1 271.404 3.490 20 30 CGEDMO Fc1ccc(-c2cc(C[NH+]3CCC(S)CC3)no2)cc1 ZINC001206835718 813448991 /nfs/dbraw/zinc/44/89/91/813448991.db2.gz BJEPGDAJUOQLAH-UHFFFAOYSA-N 1 1 292.379 3.375 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC2(C)C)C1 ZINC001206877502 813457364 /nfs/dbraw/zinc/45/73/64/813457364.db2.gz NQIPQNKSMHVJPW-OWCLPIDISA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+](Cc1ccccc1)Cc1ncccn1 ZINC001207015465 813465808 /nfs/dbraw/zinc/46/58/08/813465808.db2.gz VSZJWEVLWSYHJR-UHFFFAOYSA-N 1 1 253.349 3.055 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1ncccn1 ZINC001207015465 813465812 /nfs/dbraw/zinc/46/58/12/813465812.db2.gz VSZJWEVLWSYHJR-UHFFFAOYSA-N 1 1 253.349 3.055 20 30 CGEDMO Cn1cc(C[N@@H+](C)C(C)(C)Cc2ccccc2)cc1C#N ZINC001207110606 813486742 /nfs/dbraw/zinc/48/67/42/813486742.db2.gz OVIGQJTYRNIICN-UHFFFAOYSA-N 1 1 281.403 3.350 20 30 CGEDMO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[C@@H](C)CC)C1 ZINC001207138710 813495688 /nfs/dbraw/zinc/49/56/88/813495688.db2.gz QDNKPJNUQIOORZ-GVDBMIGSSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCN(CC[N@H+](CC)CC(=C)C)C(=O)OC(C)(C)C ZINC001207203653 813515431 /nfs/dbraw/zinc/51/54/31/813515431.db2.gz LPQUQBAAZSTBQL-UHFFFAOYSA-N 1 1 282.428 3.308 20 30 CGEDMO N#C[C@H]1CCCN(CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001207292773 813535657 /nfs/dbraw/zinc/53/56/57/813535657.db2.gz ZJOVHHCFOUPPNV-LJQANCHMSA-N 1 1 297.446 3.134 20 30 CGEDMO COc1cccc(CC[N@@H+](CCC#N)C2CCCC2)c1 ZINC001207428171 813563342 /nfs/dbraw/zinc/56/33/42/813563342.db2.gz XMPOGVMQIWZPFU-UHFFFAOYSA-N 1 1 272.392 3.396 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@H+](CC1CCSCC1)CC2 ZINC001207696670 813637710 /nfs/dbraw/zinc/63/77/10/813637710.db2.gz KPTJPNRJKPWDBO-UHFFFAOYSA-N 1 1 272.417 3.060 20 30 CGEDMO C=CCCCCCCCCC[N@H+]1C[C@@H]2CCNC(=O)[C@@H]2C1 ZINC001207899918 813667837 /nfs/dbraw/zinc/66/78/37/813667837.db2.gz PRYSVGGAIXTCBZ-DLBZAZTESA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCCN(C(=O)OC)CC2)CC1 ZINC001208171766 813725807 /nfs/dbraw/zinc/72/58/07/813725807.db2.gz YUYLEOUNQXISDS-MRXNPFEDSA-N 1 1 292.423 3.063 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCc3nccn3CC2)CC1 ZINC001208178826 813728646 /nfs/dbraw/zinc/72/86/46/813728646.db2.gz XQPWXTFTJGOTJT-MRXNPFEDSA-N 1 1 271.408 3.044 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@@H+](CCc1cccc(F)c1)CC2 ZINC001208196186 813741425 /nfs/dbraw/zinc/74/14/25/813741425.db2.gz YKJFHMVWSFKJSI-UHFFFAOYSA-N 1 1 280.346 3.298 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C/C=C(/C)C=C)C1 ZINC001208354083 813756836 /nfs/dbraw/zinc/75/68/36/813756836.db2.gz UZAAPOHTLXFNKT-KAWDRADOSA-N 1 1 290.451 3.300 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(CCC)CCC2)C1 ZINC001208371334 813758576 /nfs/dbraw/zinc/75/85/76/813758576.db2.gz POWUIMAHNRUQRQ-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO CCC[N@H+](CCC#N)CCc1cccnc1OC(C)C ZINC001208799458 813850907 /nfs/dbraw/zinc/85/09/07/813850907.db2.gz XLCQSGIGPZWQPA-UHFFFAOYSA-N 1 1 275.396 3.037 20 30 CGEDMO CCC[N@@H+](CCC#N)CCc1cccnc1OC(C)C ZINC001208799458 813850915 /nfs/dbraw/zinc/85/09/15/813850915.db2.gz XLCQSGIGPZWQPA-UHFFFAOYSA-N 1 1 275.396 3.037 20 30 CGEDMO CC(C)Oc1ncccc1CC[N@H+]1CCC[C@@H](CC#N)C1 ZINC001208799177 813851257 /nfs/dbraw/zinc/85/12/57/813851257.db2.gz SZZYNPWPIGRVJP-HNNXBMFYSA-N 1 1 287.407 3.037 20 30 CGEDMO C[C@]1(F)CC[N@@H+](CCCc2cccc(C#N)c2)C[C@@H]1F ZINC001208846106 813863378 /nfs/dbraw/zinc/86/33/78/813863378.db2.gz WXLYIXZGTCPDJX-HOTGVXAUSA-N 1 1 278.346 3.263 20 30 CGEDMO C[N@@H+]1CC=C(Nc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC001208844237 813863616 /nfs/dbraw/zinc/86/36/16/813863616.db2.gz PBXPIBAXSHLTNA-UHFFFAOYSA-N 1 1 281.281 3.208 20 30 CGEDMO CCCCCN1CC[NH+](CCCc2cccc(C#N)c2)CC1 ZINC001208852713 813866739 /nfs/dbraw/zinc/86/67/39/813866739.db2.gz REGGQLOLCDFFJP-UHFFFAOYSA-N 1 1 299.462 3.299 20 30 CGEDMO C[C@]1(F)CC[N@@H+](CCCc2ccc(C#N)cc2)C[C@@H]1F ZINC001208855779 813869025 /nfs/dbraw/zinc/86/90/25/813869025.db2.gz HIUJWMVNLZJUMU-HOTGVXAUSA-N 1 1 278.346 3.263 20 30 CGEDMO N#Cc1ccc(CCC[N@H+]2CCC[C@H]2c2ncccn2)cc1 ZINC001208863429 813872270 /nfs/dbraw/zinc/87/22/70/813872270.db2.gz DURNGQCQQYQBOB-KRWDZBQOSA-N 1 1 292.386 3.118 20 30 CGEDMO N#Cc1ccc(CCC[N@H+]2CCc3ncsc3C2)cc1 ZINC001208861771 813872394 /nfs/dbraw/zinc/87/23/94/813872394.db2.gz AVTDOAVAFCKBHW-UHFFFAOYSA-N 1 1 283.400 3.006 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001208877547 813878042 /nfs/dbraw/zinc/87/80/42/813878042.db2.gz LYOFQOYAGMVIMT-BZUAXINKSA-N 1 1 294.483 3.461 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CC[C@H]3CCC[C@@H]3C2)cc1 ZINC001208925624 813901880 /nfs/dbraw/zinc/90/18/80/813901880.db2.gz JUUJJYSPFXCTCB-IAGOWNOFSA-N 1 1 254.377 3.223 20 30 CGEDMO C[N@@H+](CCc1ccc(C#N)cc1)Cc1ccccc1F ZINC001208926380 813901914 /nfs/dbraw/zinc/90/19/14/813901914.db2.gz QOFRCPUUFJVGKL-UHFFFAOYSA-N 1 1 268.335 3.372 20 30 CGEDMO C=CCCCC[N@H+](C)CCOC(=O)c1ccccc1 ZINC001209046369 813923121 /nfs/dbraw/zinc/92/31/21/813923121.db2.gz GTULFLMIYGMGPG-UHFFFAOYSA-N 1 1 261.365 3.132 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](Oc2cc(F)ccc2F)C1 ZINC001209162306 813953557 /nfs/dbraw/zinc/95/35/57/813953557.db2.gz XBEJGBWTHODBCK-CYBMUJFWSA-N 1 1 267.319 3.384 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@@H]1[C@@H](C(N)=O)c1ccccc1 ZINC001209163207 813953703 /nfs/dbraw/zinc/95/37/03/813953703.db2.gz WJXAFMZUHIENFV-SJORKVTESA-N 1 1 286.419 3.076 20 30 CGEDMO C=CCCCC[N@H+]1CCCC[C@@H]1CN1CCCC1 ZINC001209202192 813964506 /nfs/dbraw/zinc/96/45/06/813964506.db2.gz BTGOTPYUWBFREE-MRXNPFEDSA-N 1 1 250.430 3.293 20 30 CGEDMO C=CCCCCN1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001209202192 813964514 /nfs/dbraw/zinc/96/45/14/813964514.db2.gz BTGOTPYUWBFREE-MRXNPFEDSA-N 1 1 250.430 3.293 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001209200156 813965104 /nfs/dbraw/zinc/96/51/04/813965104.db2.gz HVTFJEPSEVUDMV-ZWKOTPCHSA-N 1 1 293.451 3.393 20 30 CGEDMO C=CCCCC[NH+]1CC(Oc2ccc(F)c(F)c2)C1 ZINC001209202484 813967207 /nfs/dbraw/zinc/96/72/07/813967207.db2.gz IGSHJRUIVVQQTO-UHFFFAOYSA-N 1 1 267.319 3.384 20 30 CGEDMO C#CCCC[N@H+]1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1 ZINC001209266588 813990289 /nfs/dbraw/zinc/99/02/89/813990289.db2.gz YLFJAQFYALUQSF-MAUKXSAKSA-N 1 1 271.404 3.405 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@@H]1c1cccc(C(=O)OC)c1 ZINC001209267844 813990350 /nfs/dbraw/zinc/99/03/50/813990350.db2.gz MWXVTNXXNHCWRS-MRXNPFEDSA-N 1 1 271.360 3.024 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](CCCCCNC(=O)OC(C)(C)C)C1 ZINC001209375788 814005397 /nfs/dbraw/zinc/00/53/97/814005397.db2.gz ODDFVDFQQUFWMF-OAHLLOKOSA-N 1 1 294.439 3.027 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](C[C@@H]1C[C@@H]1C)[C@@H]2CC ZINC001209411106 814017995 /nfs/dbraw/zinc/01/79/95/814017995.db2.gz BDPYUNSKAWLKKR-CUSZFKRNSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCCCCC[N@H+]1Cc2cnn(CC)c2[C@H](COC)C1 ZINC001209422940 814025525 /nfs/dbraw/zinc/02/55/25/814025525.db2.gz LEXHMFBECOSJDQ-INIZCTEOSA-N 1 1 291.439 3.195 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@H]2[C@H](CCN2C(=O)C(C)C)C1 ZINC001209425003 814026955 /nfs/dbraw/zinc/02/69/55/814026955.db2.gz YMQAXJMXWBFYFX-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCCC[N@H+]1CCCC[C@H]1C(=O)N1CCCC1 ZINC001209427053 814027811 /nfs/dbraw/zinc/02/78/11/814027811.db2.gz DZAZROCOPLVIBQ-INIZCTEOSA-N 1 1 278.440 3.210 20 30 CGEDMO C[C@@H]1C[C@H]1C[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001209429209 814030707 /nfs/dbraw/zinc/03/07/07/814030707.db2.gz VSSXLDBTASFMIO-KMFMINBZSA-N 1 1 270.376 3.057 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)OCC=C)C1 ZINC001209431442 814032280 /nfs/dbraw/zinc/03/22/80/814032280.db2.gz NYOPYMNXPGYFKJ-OAHLLOKOSA-N 1 1 280.412 3.109 20 30 CGEDMO C=CCCCCCC[N@@H+]1CC[C@@H](CCC(=O)OC)C1 ZINC001209436476 814036756 /nfs/dbraw/zinc/03/67/56/814036756.db2.gz RSSNRTWKKDQGQN-OAHLLOKOSA-N 1 1 267.413 3.398 20 30 CGEDMO C=CCCCCCC[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC001209436787 814037424 /nfs/dbraw/zinc/03/74/24/814037424.db2.gz XLBGVSBXJZJVAE-KRWDZBQOSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCCCCCCC[N@@H+]1C[C@@H]2COC[C@]2(COC)C1 ZINC001209439258 814038802 /nfs/dbraw/zinc/03/88/02/814038802.db2.gz LOBFADMHCYLBTI-IAGOWNOFSA-N 1 1 281.440 3.108 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CC[C@](C)(C(=O)OC)C1 ZINC001209442180 814040921 /nfs/dbraw/zinc/04/09/21/814040921.db2.gz BGPJPZZFTHHYMT-INIZCTEOSA-N 1 1 267.413 3.398 20 30 CGEDMO C=CCCCCCC[N@@H+]1CC[C@H](c2nc(C)no2)C1 ZINC001209441159 814041831 /nfs/dbraw/zinc/04/18/31/814041831.db2.gz UFVKKQNOCZVSQK-AWEZNQCLSA-N 1 1 263.385 3.304 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CCc2nncn2CC1 ZINC001209442385 814043031 /nfs/dbraw/zinc/04/30/31/814043031.db2.gz HLFZXSAOCLXFIQ-UHFFFAOYSA-N 1 1 276.428 3.053 20 30 CGEDMO C=C(C)C[N@H+](CC)C[C@H](CC)NC(=O)OC(C)(C)C ZINC001209467824 814052386 /nfs/dbraw/zinc/05/23/86/814052386.db2.gz DQDUDBZUUDQJSR-ZDUSSCGKSA-N 1 1 270.417 3.188 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)CC(C)C)C1 ZINC001210110773 814295526 /nfs/dbraw/zinc/29/55/26/814295526.db2.gz DGTTTXKQEPZVBQ-IXDOHACOSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001210226242 814355179 /nfs/dbraw/zinc/35/51/79/814355179.db2.gz NQMCBYIHOYRWHC-BZUAXINKSA-N 1 1 294.483 3.461 20 30 CGEDMO Cc1cc(-c2cccc(C[NH+]3CCOCC3)c2)ccc1C#N ZINC001242768359 823127270 /nfs/dbraw/zinc/12/72/70/823127270.db2.gz HQYSKZSNKQPPFR-UHFFFAOYSA-N 1 1 292.382 3.366 20 30 CGEDMO CCCCCCCCC[C@H](C)OCC[C@H]([NH3+])C(=O)OC ZINC001217896281 815994705 /nfs/dbraw/zinc/99/47/05/815994705.db2.gz QAHNBZLKCQYNRA-GJZGRUSLSA-N 1 1 287.444 3.423 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C(C)C)[C@@H]2C1 ZINC001221571842 816321302 /nfs/dbraw/zinc/32/13/02/816321302.db2.gz BPAONUNROZBQAW-HZPDHXFCSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2CC[N@@H+](CC=C(C)C)C[C@H]21 ZINC001221760914 816326397 /nfs/dbraw/zinc/32/63/97/816326397.db2.gz UKRCEESAIGAGSK-BRWVUGGUSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCCCC(=O)N1C[C@H]2CC[N@H+](CC/C=C/CC)C[C@H]21 ZINC001221779822 816328416 /nfs/dbraw/zinc/32/84/16/816328416.db2.gz OBTPMPSPWXHROZ-SLLSNFPASA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCCCCCN1CCC[C@]12CCC[NH2+]C2 ZINC001222238091 816383117 /nfs/dbraw/zinc/38/31/17/816383117.db2.gz ZPFQALRYDRRMOG-INIZCTEOSA-N 1 1 250.430 3.341 20 30 CGEDMO C=C[C@H](O[C@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC001223310834 816601995 /nfs/dbraw/zinc/60/19/95/816601995.db2.gz QYIMYGCHEVJYIB-GJZGRUSLSA-N 1 1 254.333 3.142 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)CCCC3CC3)C[C@@H]21 ZINC001223329684 816606999 /nfs/dbraw/zinc/60/69/99/816606999.db2.gz RYTMVZLHHBUBLI-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C[C@H](C)[C@@H](C)C(=O)NCC1CC[NH+](CC(=C)Cl)CC1 ZINC001224165971 816745426 /nfs/dbraw/zinc/74/54/26/816745426.db2.gz WIYQFCSAYBRSCY-GXTWGEPZSA-N 1 1 298.858 3.025 20 30 CGEDMO C=CCCO[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC001224339385 816782731 /nfs/dbraw/zinc/78/27/31/816782731.db2.gz LKDHXPGAMOXODI-HNNXBMFYSA-N 1 1 263.356 3.383 20 30 CGEDMO C=CCCO[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001224339202 816782802 /nfs/dbraw/zinc/78/28/02/816782802.db2.gz GRJJCADIQIYDGZ-DOTOQJQBSA-N 1 1 259.393 3.490 20 30 CGEDMO C=CCCCCCCCOCC[N@@H+]1CC[C@@H](OC)C1 ZINC001224506940 816816434 /nfs/dbraw/zinc/81/64/34/816816434.db2.gz AMVPEPITPDXFMT-MRXNPFEDSA-N 1 1 269.429 3.250 20 30 CGEDMO C#C[C@@H](OC[C@@H]1CCC[N@H+]1C)[C@@H](CC)CCCC ZINC001224817242 816889476 /nfs/dbraw/zinc/88/94/76/816889476.db2.gz KDJPNYKMKSGVEC-HRCADAONSA-N 1 1 251.414 3.315 20 30 CGEDMO Clc1ccc(C[N@H+]2CC[C@H](OCC#CC3CC3)C2)cc1 ZINC001224849208 816893435 /nfs/dbraw/zinc/89/34/35/816893435.db2.gz ALQXCIIVUQOWRM-KRWDZBQOSA-N 1 1 289.806 3.344 20 30 CGEDMO C[N@@H+]1CCC[C@H](Oc2c(Cl)cc(C#N)cc2Cl)C1 ZINC001226583622 817404590 /nfs/dbraw/zinc/40/45/90/817404590.db2.gz AECHSEJDPJFJAB-JTQLQIEISA-N 1 1 285.174 3.338 20 30 CGEDMO C[N@H+]1CCC[C@H](Oc2c(Cl)cc(C#N)cc2Cl)C1 ZINC001226583622 817404592 /nfs/dbraw/zinc/40/45/92/817404592.db2.gz AECHSEJDPJFJAB-JTQLQIEISA-N 1 1 285.174 3.338 20 30 CGEDMO CC[N@@H+]1CC[C@H](Oc2c(Cl)cc(C#N)cc2Cl)C1 ZINC001226585462 817405904 /nfs/dbraw/zinc/40/59/04/817405904.db2.gz OGCULZLPBQJWKU-JTQLQIEISA-N 1 1 285.174 3.338 20 30 CGEDMO CC[N@H+]1CC[C@H](Oc2c(Cl)cc(C#N)cc2Cl)C1 ZINC001226585462 817405907 /nfs/dbraw/zinc/40/59/07/817405907.db2.gz OGCULZLPBQJWKU-JTQLQIEISA-N 1 1 285.174 3.338 20 30 CGEDMO C=CCc1ccc(OC2CC[NH+](CCF)CC2)c(OC)c1 ZINC001227926724 817756845 /nfs/dbraw/zinc/75/68/45/817756845.db2.gz JWGCJTNSODRVFU-UHFFFAOYSA-N 1 1 293.382 3.236 20 30 CGEDMO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC1CCC(C)CC1 ZINC001231170828 818050308 /nfs/dbraw/zinc/05/03/08/818050308.db2.gz UXYBVZZMDMJZRS-OFLPRAFFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCCCCC1 ZINC001231169263 818051385 /nfs/dbraw/zinc/05/13/85/818051385.db2.gz FBMXYWKVMPLJRI-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)/C=C\C(C)(C)C ZINC001231280114 818069290 /nfs/dbraw/zinc/06/92/90/818069290.db2.gz AJUZJGOPWMUSAH-YYRKOSNBSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCCCC[N@H+](C)CCCNC(=O)CC(C)C ZINC001231319873 818075374 /nfs/dbraw/zinc/07/53/74/818075374.db2.gz PQMOGPFQGOIXLK-UHFFFAOYSA-N 1 1 268.445 3.217 20 30 CGEDMO Cc1cccc(C[N@@H+](CCC#N)C2CCCC2)c1O ZINC001231594119 818131169 /nfs/dbraw/zinc/13/11/69/818131169.db2.gz ZJEOOXLYBLVINB-UHFFFAOYSA-N 1 1 258.365 3.359 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)c1 ZINC001231656741 818149884 /nfs/dbraw/zinc/14/98/84/818149884.db2.gz QEJBVGGZXWQZRH-IAGOWNOFSA-N 1 1 267.372 3.002 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)c1 ZINC001231656741 818149889 /nfs/dbraw/zinc/14/98/89/818149889.db2.gz QEJBVGGZXWQZRH-IAGOWNOFSA-N 1 1 267.372 3.002 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CC[C@H]2COCc2ccccc2)c1 ZINC001231659020 818150150 /nfs/dbraw/zinc/15/01/50/818150150.db2.gz DHJLQFOKZQLXSS-FQEVSTJZSA-N 1 1 291.394 3.459 20 30 CGEDMO C#Cc1cccc(C[N@H+](C)Cc2cccc(F)c2)c1 ZINC001231658430 818150333 /nfs/dbraw/zinc/15/03/33/818150333.db2.gz WJIFDCGCPAJULQ-UHFFFAOYSA-N 1 1 253.320 3.439 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CCOC[C@H]2C2CCCCC2)c1 ZINC001231660499 818152154 /nfs/dbraw/zinc/15/21/54/818152154.db2.gz HHOHJYJIQLEGFY-IBGZPJMESA-N 1 1 283.415 3.449 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CCn3cccc3[C@H]2C)c1 ZINC001231662462 818153089 /nfs/dbraw/zinc/15/30/89/818153089.db2.gz GECZFKFYLZLZKQ-CQSZACIVSA-N 1 1 250.345 3.046 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CCn3cccc3[C@H]2C)c1 ZINC001231662462 818153093 /nfs/dbraw/zinc/15/30/93/818153093.db2.gz GECZFKFYLZLZKQ-CQSZACIVSA-N 1 1 250.345 3.046 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CCc3ccc(F)cc3C2)c1 ZINC001231663268 818153393 /nfs/dbraw/zinc/15/33/93/818153393.db2.gz PIYOPLANAOFHKI-UHFFFAOYSA-N 1 1 265.331 3.365 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CCc3ccc(F)cc3C2)c1 ZINC001231663268 818153395 /nfs/dbraw/zinc/15/33/95/818153395.db2.gz PIYOPLANAOFHKI-UHFFFAOYSA-N 1 1 265.331 3.365 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CC[C@@H](CC(=O)OCC)[C@@H](C)C2)c1 ZINC001231664662 818153501 /nfs/dbraw/zinc/15/35/01/818153501.db2.gz UGAIPXUMXHGVIB-YJBOKZPZSA-N 1 1 299.414 3.079 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)c(Cl)c1)CC1CCOCC1 ZINC001232112515 818258261 /nfs/dbraw/zinc/25/82/61/818258261.db2.gz WXWHKUFBEALKKP-UHFFFAOYSA-N 1 1 278.783 3.070 20 30 CGEDMO C[N@H+](Cc1cccnc1)Cc1ccc(C#N)c(Cl)c1 ZINC001232109207 818258672 /nfs/dbraw/zinc/25/86/72/818258672.db2.gz AYZJICSQDNEZGA-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO C[N@@H+](Cc1cccnc1)Cc1ccc(C#N)c(Cl)c1 ZINC001232109207 818258674 /nfs/dbraw/zinc/25/86/74/818258674.db2.gz AYZJICSQDNEZGA-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO CC(=O)Nc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(C)c1 ZINC001232189016 818273306 /nfs/dbraw/zinc/27/33/06/818273306.db2.gz YBXZIWHFBSIOQG-GJWQZFMSSA-N 1 1 297.402 3.220 20 30 CGEDMO CCOc1ncc(C[N@@H+](C)Cc2ccc(C#N)cc2)cc1C ZINC001232310527 818310245 /nfs/dbraw/zinc/31/02/45/818310245.db2.gz XQNNNOMMTOSUOG-UHFFFAOYSA-N 1 1 295.386 3.292 20 30 CGEDMO CCOc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)c(C)n1 ZINC001232314520 818313722 /nfs/dbraw/zinc/31/37/22/818313722.db2.gz RROHZINXDIPJDQ-UHFFFAOYSA-N 1 1 295.386 3.292 20 30 CGEDMO N#Cc1ccnc(C[N@H+]2CC[C@H](Cc3ccccc3)C2)c1 ZINC001232480919 818364239 /nfs/dbraw/zinc/36/42/39/818364239.db2.gz NSBHHWCKZAIRPU-QGZVFWFLSA-N 1 1 277.371 3.018 20 30 CGEDMO N#Cc1ccnc(C[N@H+]2CCC[C@H]2c2ccccc2F)c1 ZINC001232481206 818365992 /nfs/dbraw/zinc/36/59/92/818365992.db2.gz XFUISMAOJXMBKL-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1ccnc(C[N@@H+]2CCC[C@H]2c2ccccc2F)c1 ZINC001232481206 818366000 /nfs/dbraw/zinc/36/60/00/818366000.db2.gz XFUISMAOJXMBKL-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1cc[nH]c1C[NH+]1CCC(COc2ccccc2)CC1 ZINC001233045310 818508086 /nfs/dbraw/zinc/50/80/86/818508086.db2.gz SICJVCURQIDBBK-UHFFFAOYSA-N 1 1 295.386 3.177 20 30 CGEDMO N#Cc1cc[nH]c1C[N@H+](Cc1ccccc1)C1CCC1 ZINC001233048340 818509690 /nfs/dbraw/zinc/50/96/90/818509690.db2.gz DOXNANKCEFACRT-UHFFFAOYSA-N 1 1 265.360 3.441 20 30 CGEDMO N#Cc1cc[nH]c1C[N@@H+](Cc1ccccc1)C1CCC1 ZINC001233048340 818509694 /nfs/dbraw/zinc/50/96/94/818509694.db2.gz DOXNANKCEFACRT-UHFFFAOYSA-N 1 1 265.360 3.441 20 30 CGEDMO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCC[C@H](C#N)C2)c1 ZINC001233286219 818568448 /nfs/dbraw/zinc/56/84/48/818568448.db2.gz KPFNBQYNJDCSJS-CYBMUJFWSA-N 1 1 272.392 3.425 20 30 CGEDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CCC[C@H](C#N)C2)c1 ZINC001233286219 818568453 /nfs/dbraw/zinc/56/84/53/818568453.db2.gz KPFNBQYNJDCSJS-CYBMUJFWSA-N 1 1 272.392 3.425 20 30 CGEDMO C[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2O)C[C@@H]1C ZINC001233383821 818605385 /nfs/dbraw/zinc/60/53/85/818605385.db2.gz XKOKVFYPJVQJNO-OLZOCXBDSA-N 1 1 258.365 3.132 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2O)C[C@@H]1C ZINC001233383821 818605389 /nfs/dbraw/zinc/60/53/89/818605389.db2.gz XKOKVFYPJVQJNO-OLZOCXBDSA-N 1 1 258.365 3.132 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c(O)c1 ZINC001233385570 818607289 /nfs/dbraw/zinc/60/72/89/818607289.db2.gz MQUDFQHKMDJKLR-LBPRGKRZSA-N 1 1 284.281 3.038 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)c(O)c1 ZINC001233385570 818607290 /nfs/dbraw/zinc/60/72/90/818607290.db2.gz MQUDFQHKMDJKLR-LBPRGKRZSA-N 1 1 284.281 3.038 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H](Oc2c(Cl)cccc2C#N)C1 ZINC001233549401 818639144 /nfs/dbraw/zinc/63/91/44/818639144.db2.gz FCXPMTOQFDGKRM-CYBMUJFWSA-N 1 1 278.783 3.463 20 30 CGEDMO C[N@H+]1CCC[C@@H](Oc2cc(C#N)cc(C(F)(F)F)c2)C1 ZINC001233658062 818672552 /nfs/dbraw/zinc/67/25/52/818672552.db2.gz HNMYFCFVMPZOBI-GFCCVEGCSA-N 1 1 284.281 3.050 20 30 CGEDMO CC[N@H+]1CCC[C@@H](Oc2cc(C(F)(F)F)ccc2C#N)C1 ZINC001233732351 818693467 /nfs/dbraw/zinc/69/34/67/818693467.db2.gz LTWGCEGLUYYZTQ-CYBMUJFWSA-N 1 1 298.308 3.440 20 30 CGEDMO C[N@H+]1CCC[C@H](Oc2cc(C(F)(F)F)ccc2C#N)C1 ZINC001233733240 818693541 /nfs/dbraw/zinc/69/35/41/818693541.db2.gz ZMQFKSTXTCUCCU-LBPRGKRZSA-N 1 1 284.281 3.050 20 30 CGEDMO C[N@H+]1CC[C@@H](Oc2ccc(-c3cccc(C#N)c3)cc2)C1 ZINC001233867445 818720279 /nfs/dbraw/zinc/72/02/79/818720279.db2.gz UKRRHRMAFOIVSF-GOSISDBHSA-N 1 1 278.355 3.308 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C1CC(C)(C)C1 ZINC001234028957 818761040 /nfs/dbraw/zinc/76/10/40/818761040.db2.gz COWDNMISAYHYJV-HOCLYGCPSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC(CC=C)C(=O)N(C)C[C@H]1CC[N@H+]1CC=C(C)C ZINC001234510349 818869639 /nfs/dbraw/zinc/86/96/39/818869639.db2.gz XVMWDPHXWVPGEU-QGZVFWFLSA-N 1 1 290.451 3.254 20 30 CGEDMO CCCCCCCC[N@H+](C)Cc1ncc(F)cn1 ZINC001235001809 818974531 /nfs/dbraw/zinc/97/45/31/818974531.db2.gz BGFVTGZNKJAAAA-UHFFFAOYSA-N 1 1 253.365 3.408 20 30 CGEDMO CCCCCCCC[N@@H+](C)Cc1ncc(F)cn1 ZINC001235001809 818974539 /nfs/dbraw/zinc/97/45/39/818974539.db2.gz BGFVTGZNKJAAAA-UHFFFAOYSA-N 1 1 253.365 3.408 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(C)c(OCCO)c(C)c1 ZINC001235373807 819081342 /nfs/dbraw/zinc/08/13/42/819081342.db2.gz MXPUDMLJCIMYBO-UHFFFAOYSA-N 1 1 277.408 3.073 20 30 CGEDMO COc1cc(C[N@@H+]2CCC[C@H](C#N)CC2)cc(F)c1F ZINC001235443922 819101512 /nfs/dbraw/zinc/10/15/12/819101512.db2.gz ALBBLMGXABGZPP-NSHDSACASA-N 1 1 280.318 3.099 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@H](C#N)CC2)cc(F)c1F ZINC001235443922 819101514 /nfs/dbraw/zinc/10/15/14/819101514.db2.gz ALBBLMGXABGZPP-NSHDSACASA-N 1 1 280.318 3.099 20 30 CGEDMO Cc1nc2c(s1)C[N@H+](Cc1ccccc1CC#N)CC2 ZINC001235522542 819114832 /nfs/dbraw/zinc/11/48/32/819114832.db2.gz HFOSYTDZWIIXRF-UHFFFAOYSA-N 1 1 283.400 3.076 20 30 CGEDMO Cc1nc2c(s1)C[N@@H+](Cc1ccccc1CC#N)CC2 ZINC001235522542 819114836 /nfs/dbraw/zinc/11/48/36/819114836.db2.gz HFOSYTDZWIIXRF-UHFFFAOYSA-N 1 1 283.400 3.076 20 30 CGEDMO C[N@@H+](Cc1ccsc1)Cc1ccccc1CC#N ZINC001235522333 819115074 /nfs/dbraw/zinc/11/50/74/819115074.db2.gz CWPRVHIFDMGRRW-UHFFFAOYSA-N 1 1 256.374 3.446 20 30 CGEDMO CCc1cc(C[N@H+]2CCc3ccc(N)cc3C2)ccc1C#N ZINC001236234180 819394918 /nfs/dbraw/zinc/39/49/18/819394918.db2.gz NHLJTTRNNGYLQL-UHFFFAOYSA-N 1 1 291.398 3.261 20 30 CGEDMO COc1ccc(C#N)cc1-c1cc(N2CCCC2)cc[nH+]1 ZINC001236538500 819527914 /nfs/dbraw/zinc/52/79/14/819527914.db2.gz MGCNQDUQAXIPLP-UHFFFAOYSA-N 1 1 279.343 3.229 20 30 CGEDMO CCc1cc(CN(C[C@H]2CCC[NH2+]C2)C2CC2)ccc1C#N ZINC001236605436 819550087 /nfs/dbraw/zinc/55/00/87/819550087.db2.gz NNQPFDRJIPWVHN-INIZCTEOSA-N 1 1 297.446 3.085 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cc(F)cc2c1OCCC2 ZINC001236629663 819555679 /nfs/dbraw/zinc/55/56/79/819555679.db2.gz MSKQKTTZIQUIQZ-UHFFFAOYSA-N 1 1 261.340 3.325 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3cccc4occc43)CC[C@H]2S1 ZINC001236738462 819588836 /nfs/dbraw/zinc/58/88/36/819588836.db2.gz VJRXXDRANMWRDN-OAHLLOKOSA-N 1 1 285.368 3.207 20 30 CGEDMO O=C1C=C2C[N@@H+](Cc3cccc4occc43)CCC2S1 ZINC001236738462 819588838 /nfs/dbraw/zinc/58/88/38/819588838.db2.gz VJRXXDRANMWRDN-OAHLLOKOSA-N 1 1 285.368 3.207 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3cccc4occc43)CCC2S1 ZINC001236738462 819588842 /nfs/dbraw/zinc/58/88/42/819588842.db2.gz VJRXXDRANMWRDN-OAHLLOKOSA-N 1 1 285.368 3.207 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236833943 819612685 /nfs/dbraw/zinc/61/26/85/819612685.db2.gz RGUOTDFLZJTAEE-CYBMUJFWSA-N 1 1 266.344 3.281 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236833943 819612687 /nfs/dbraw/zinc/61/26/87/819612687.db2.gz RGUOTDFLZJTAEE-CYBMUJFWSA-N 1 1 266.344 3.281 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(F)c3ccoc32)C1 ZINC001236897466 819633790 /nfs/dbraw/zinc/63/37/90/819633790.db2.gz DXGFRCLCLHFEAK-GFCCVEGCSA-N 1 1 257.308 3.417 20 30 CGEDMO C[C@H]1C[C@@H](CF)[N@@H+](Cc2cn(C)c3ccc(C#N)cc23)C1 ZINC001237466379 819756801 /nfs/dbraw/zinc/75/68/01/819756801.db2.gz MOCXKPJTAWDOLR-WFASDCNBSA-N 1 1 285.366 3.230 20 30 CGEDMO CCOc1ccc(C[N@H+]2CCC[C@H](C#N)CC2)cc1F ZINC001237956343 819895930 /nfs/dbraw/zinc/89/59/30/819895930.db2.gz MTSJVWXQFKSTMM-ZDUSSCGKSA-N 1 1 276.355 3.350 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(C)c(OCC)c2)C1 ZINC001238069351 819922830 /nfs/dbraw/zinc/92/28/30/819922830.db2.gz CJYOKZZUUATYBR-OAHLLOKOSA-N 1 1 257.377 3.239 20 30 CGEDMO C[C@@]1(CF)CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC001238080112 819927545 /nfs/dbraw/zinc/92/75/45/819927545.db2.gz KWQYBYFEUCCDGA-AWEZNQCLSA-N 1 1 266.747 3.393 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)CC[C@@]1(C)O ZINC001238079585 819927580 /nfs/dbraw/zinc/92/75/80/819927580.db2.gz DMYFNVKNNQRVCU-BLLLJJGKSA-N 1 1 292.810 3.195 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@]3(C2)CCCCO3)c(Cl)c1 ZINC001238083236 819928140 /nfs/dbraw/zinc/92/81/40/819928140.db2.gz PUGVOUXHKHTNLX-INIZCTEOSA-N 1 1 290.794 3.357 20 30 CGEDMO N#Cc1cc(C[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)ccc1Cl ZINC001238189570 819950952 /nfs/dbraw/zinc/95/09/52/819950952.db2.gz SIUFOGNFGWQWRD-NEPJUHHUSA-N 1 1 282.721 3.299 20 30 CGEDMO CO[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(C#N)c2)CC1 ZINC001238192940 819953227 /nfs/dbraw/zinc/95/32/27/819953227.db2.gz WVRFIUIYUQDQPM-CQSZACIVSA-N 1 1 278.783 3.213 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cnc(OC(C)C)c(C)c2)C1 ZINC001238387420 819985227 /nfs/dbraw/zinc/98/52/27/819985227.db2.gz SIVOFTDNFCCESS-OAHLLOKOSA-N 1 1 272.392 3.022 20 30 CGEDMO Cc1cnc(C[N@@H+]2CCc3cc(C#N)ccc3C2)c(C)c1 ZINC001238427507 819994016 /nfs/dbraw/zinc/99/40/16/819994016.db2.gz WEYJQXSNNKTIJD-UHFFFAOYSA-N 1 1 277.371 3.128 20 30 CGEDMO Cc1cnc(C[N@H+]2CCc3cc(C#N)ccc3C2)c(C)c1 ZINC001238427507 819994020 /nfs/dbraw/zinc/99/40/20/819994020.db2.gz WEYJQXSNNKTIJD-UHFFFAOYSA-N 1 1 277.371 3.128 20 30 CGEDMO C#CC[N@@H+](C)Cc1cnc(-c2ccccc2)c(C)c1 ZINC001238615420 820060743 /nfs/dbraw/zinc/06/07/43/820060743.db2.gz OVCINRAUUPUUFO-UHFFFAOYSA-N 1 1 250.345 3.122 20 30 CGEDMO C#CC[N@H+](C)Cc1cnc(-c2ccccc2)c(C)c1 ZINC001238615420 820060751 /nfs/dbraw/zinc/06/07/51/820060751.db2.gz OVCINRAUUPUUFO-UHFFFAOYSA-N 1 1 250.345 3.122 20 30 CGEDMO CCc1cc(C[N@@H+]2CCc3occc3C2)ccc1C#N ZINC001238769396 820113352 /nfs/dbraw/zinc/11/33/52/820113352.db2.gz SGKKOVYMOIJEDX-UHFFFAOYSA-N 1 1 266.344 3.272 20 30 CGEDMO CCc1cc(C[N@H+]2CCc3occc3C2)ccc1C#N ZINC001238769396 820113356 /nfs/dbraw/zinc/11/33/56/820113356.db2.gz SGKKOVYMOIJEDX-UHFFFAOYSA-N 1 1 266.344 3.272 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1-c1ccc(C#N)c(F)c1 ZINC001240151644 820860577 /nfs/dbraw/zinc/86/05/77/820860577.db2.gz CRGQMHBTVHAXHI-UHFFFAOYSA-N 1 1 255.296 3.134 20 30 CGEDMO Cc1c2[nH]cnc2ccc1-c1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001240351789 820986079 /nfs/dbraw/zinc/98/60/79/820986079.db2.gz YZTSARYYOYKXEC-UHFFFAOYSA-N 1 1 288.354 3.097 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2cnc(N)nc2C)cc1 ZINC001241648750 822030774 /nfs/dbraw/zinc/03/07/74/822030774.db2.gz OXSMFWYXKRBJAZ-QGZVFWFLSA-N 1 1 294.402 3.357 20 30 CGEDMO Cc1cc(N)[nH+]cc1-c1ncc(C#N)c2ccccc21 ZINC001242070869 822329673 /nfs/dbraw/zinc/32/96/73/822329673.db2.gz NKXAGTFTEYBWHS-UHFFFAOYSA-N 1 1 260.300 3.059 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)C[C@@H]1C[C@@]1(C)Br ZINC001335416594 936144821 /nfs/dbraw/zinc/14/48/21/936144821.db2.gz JPACGLVXDDGVAL-WCQYABFASA-N 1 1 287.245 3.422 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@@H]1C[C@@]1(C)Br ZINC001335416594 936144823 /nfs/dbraw/zinc/14/48/23/936144823.db2.gz JPACGLVXDDGVAL-WCQYABFASA-N 1 1 287.245 3.422 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2ccc3cnccc3c2)C1 ZINC001343995327 936522194 /nfs/dbraw/zinc/52/21/94/936522194.db2.gz VPKPQRJNTRFIJO-QGZVFWFLSA-N 1 1 268.360 3.012 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)CC(C)C)C1 ZINC001479967900 936951182 /nfs/dbraw/zinc/95/11/82/936951182.db2.gz PRWBPUWHSWWABN-HZPDHXFCSA-N 1 1 280.456 3.215 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](CC3CCC(O)CC3)CC2)cc1 ZINC001350371719 936989607 /nfs/dbraw/zinc/98/96/07/936989607.db2.gz QZNOKZKPHQPXLZ-UHFFFAOYSA-N 1 1 296.414 3.198 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCC[N@H+]([C@H](C)CCC=C)C1 ZINC001480247252 937040972 /nfs/dbraw/zinc/04/09/72/937040972.db2.gz QSPCLCPCMGJHAB-HZPDHXFCSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C1CC(C)(C(=O)NCC[N@H+](C)C[C@H](C)CC(C)C)C1 ZINC001480909963 926773126 /nfs/dbraw/zinc/77/31/26/926773126.db2.gz XPOGWASBDUWROP-CQSZACIVSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC[N@@H+](C/C=C\Cl)CCC ZINC001493308668 926817232 /nfs/dbraw/zinc/81/72/32/926817232.db2.gz NHKZFMWRPASPMP-FPLPWBNLSA-N 1 1 286.847 3.169 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)C[C@H]1CC[C@H](C)C1 ZINC001480994065 926854524 /nfs/dbraw/zinc/85/45/24/926854524.db2.gz WFVVPSJMJCIAQN-HOTGVXAUSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)c1cscc1C ZINC001481034200 926868188 /nfs/dbraw/zinc/86/81/88/926868188.db2.gz XNXGOFGZADKHBP-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)C(F)=C1CCCC1 ZINC001481035932 926868343 /nfs/dbraw/zinc/86/83/43/926868343.db2.gz NBCFFVKLGSIULN-HNNXBMFYSA-N 1 1 294.414 3.331 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@H]1CCC[N@H+]1CC1CCCC1 ZINC001481055263 926873752 /nfs/dbraw/zinc/87/37/52/926873752.db2.gz CGIUJSSHQGKMOU-SJLPKXTDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](CNC(=O)C/C=C/c2ccc(C)cc2)C1 ZINC001481128931 926892742 /nfs/dbraw/zinc/89/27/42/926892742.db2.gz WUHMNPGNCZANEN-SHCNBLLESA-N 1 1 298.430 3.022 20 30 CGEDMO C#CC[N@H+](CCCNC(=O)[C@]1(C)CCC[C@@H]1CC)C(C)C ZINC001481350995 926966114 /nfs/dbraw/zinc/96/61/14/926966114.db2.gz VYKLZQCXMRVUFH-FUHWJXTLSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC001481474641 926995852 /nfs/dbraw/zinc/99/58/52/926995852.db2.gz MKKDFNNTKWWPEX-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)CC1CCN(C(=O)/C(C)=C/C)CC1 ZINC001481513171 927009864 /nfs/dbraw/zinc/00/98/64/927009864.db2.gz JJTIWZCLKMMQDU-UBYXTUIOSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC[C@H](C)[NH+]1CC(NC(=O)c2ccc(CC)s2)C1 ZINC001481569944 927028583 /nfs/dbraw/zinc/02/85/83/927028583.db2.gz XUMZCWURVGZIOG-LBPRGKRZSA-N 1 1 292.448 3.079 20 30 CGEDMO C=CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC(C)(C)C ZINC001481677304 927053347 /nfs/dbraw/zinc/05/33/47/927053347.db2.gz YVXGHCYYBQRFEW-GJZGRUSLSA-N 1 1 278.440 3.064 20 30 CGEDMO N#CCC[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000425997843 927110981 /nfs/dbraw/zinc/11/09/81/927110981.db2.gz DJZNAXPANRIXED-UHFFFAOYSA-N 1 1 291.354 3.141 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)[C@H]1C[C@H]1C1CCCC1 ZINC001502386907 927259158 /nfs/dbraw/zinc/25/91/58/927259158.db2.gz GVOCYFRTKJGSHW-IRXDYDNUSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)/C=C(\C)CC)CC[C@@H]21 ZINC001482663639 927341373 /nfs/dbraw/zinc/34/13/73/927341373.db2.gz WSRWYKJLSUTRKU-CRMBIJGISA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@H](C)NC(=O)C(C)(C)C(=C)C ZINC001483368625 927490647 /nfs/dbraw/zinc/49/06/47/927490647.db2.gz DBILCZNOFCJHTE-GJZGRUSLSA-N 1 1 280.456 3.380 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)c1ccc(Cl)c(F)c1 ZINC001483386937 927495748 /nfs/dbraw/zinc/49/57/48/927495748.db2.gz DMNSXWCBGWEMJF-NSHDSACASA-N 1 1 298.789 3.105 20 30 CGEDMO CCOC(=O)C[N@H+](CCC1(C#N)CCCCC1)CC(C)C ZINC001307432709 927530474 /nfs/dbraw/zinc/53/04/74/927530474.db2.gz YXZOCSVYMKCHRY-UHFFFAOYSA-N 1 1 294.439 3.372 20 30 CGEDMO CCOC(=O)C[N@@H+](CCC1(C#N)CCCCC1)CC(C)C ZINC001307432709 927530479 /nfs/dbraw/zinc/53/04/79/927530479.db2.gz YXZOCSVYMKCHRY-UHFFFAOYSA-N 1 1 294.439 3.372 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CC[N@@H+]1Cc1cc(C)sc1C ZINC001483635503 927554312 /nfs/dbraw/zinc/55/43/12/927554312.db2.gz KLRYUZWMYFXCKS-OAHLLOKOSA-N 1 1 292.448 3.022 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001483678915 927569314 /nfs/dbraw/zinc/56/93/14/927569314.db2.gz VCFZSCCCUURLAE-YJBOKZPZSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)C[C@H](C)CC(C)C ZINC001483694151 927578642 /nfs/dbraw/zinc/57/86/42/927578642.db2.gz KGUYLQYKTGMTTF-HZPDHXFCSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)C ZINC001483807502 927628778 /nfs/dbraw/zinc/62/87/78/927628778.db2.gz FLQZYBYWOAOMID-OAGGEKHMSA-N 1 1 278.440 3.062 20 30 CGEDMO C#CCCCC(=O)N(C)C1C[NH+]([C@H](C)c2ccccc2C)C1 ZINC001483860128 927635830 /nfs/dbraw/zinc/63/58/30/927635830.db2.gz JAZVYNHSBKECTJ-MRXNPFEDSA-N 1 1 298.430 3.002 20 30 CGEDMO C#CCCCCCC(=O)N[C@]1(C)CC[N@H+](CCC(=C)C)C1 ZINC001484054757 927668898 /nfs/dbraw/zinc/66/88/98/927668898.db2.gz SIEYMQYBNYCGSZ-GOSISDBHSA-N 1 1 290.451 3.117 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCC)C2 ZINC001484317803 927691288 /nfs/dbraw/zinc/69/12/88/927691288.db2.gz JAYZTTQQXGPBLP-XHSDSOJGSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=C)C ZINC001484389639 927699867 /nfs/dbraw/zinc/69/98/67/927699867.db2.gz QFLOKIRGPBUPLK-MUJYYYPQSA-N 1 1 290.451 3.134 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]2C[N@H+](CC[C@@H](C)F)C[C@H]21 ZINC001484473118 927711994 /nfs/dbraw/zinc/71/19/94/927711994.db2.gz MUQKWZAHWIUBJV-OWCLPIDISA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@H+](CCCC)CC1 ZINC001484714649 927740357 /nfs/dbraw/zinc/74/03/57/927740357.db2.gz FJENMWRCJZTMRY-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C2(CC)CCC2)CC1 ZINC001484720464 927746135 /nfs/dbraw/zinc/74/61/35/927746135.db2.gz PJBVKKMFURIFCH-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[C@]2(CC[N@H+](CCC)C2)C1 ZINC001484833170 927761325 /nfs/dbraw/zinc/76/13/25/927761325.db2.gz YDCCTCQMCQYCFX-SJLPKXTDSA-N 1 1 292.467 3.313 20 30 CGEDMO CC#CC[N@H+]1Cc2ccc(CNC(=O)[C@H](C)CCC)cc2C1 ZINC001484872986 927762799 /nfs/dbraw/zinc/76/27/99/927762799.db2.gz HOIAQIDRBCIADB-OAHLLOKOSA-N 1 1 298.430 3.078 20 30 CGEDMO CC#CC[N@@H+]1Cc2ccc(CNC(=O)[C@H](C)CCC)cc2C1 ZINC001484872986 927762810 /nfs/dbraw/zinc/76/28/10/927762810.db2.gz HOIAQIDRBCIADB-OAHLLOKOSA-N 1 1 298.430 3.078 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCC2(C)CC2)C(C)(C)C1 ZINC001484939580 927775277 /nfs/dbraw/zinc/77/52/77/927775277.db2.gz CAQLHEQPEYCMMB-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)[C@H](C)C1 ZINC001484969443 927778284 /nfs/dbraw/zinc/77/82/84/927778284.db2.gz WPUUXKOPCYAKPE-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C#CC[N@H+](CC)CC1CCN(C(=O)CC[C@H](C)CC)CC1 ZINC001485033056 927793256 /nfs/dbraw/zinc/79/32/56/927793256.db2.gz UESXCAXQAHOQGP-MRXNPFEDSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]1C[N@H+](C)C[C@H](C)CC ZINC001485067109 927799642 /nfs/dbraw/zinc/79/96/42/927799642.db2.gz HRMZCNFXYZSVQY-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](C)C(CC)CC ZINC001485060400 927801208 /nfs/dbraw/zinc/80/12/08/927801208.db2.gz CISIRIWAQSUPLS-GDBMZVCRSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1ccc(C)s1 ZINC001485272213 927839621 /nfs/dbraw/zinc/83/96/21/927839621.db2.gz MVODOOQVVLWRPC-QWHCGFSZSA-N 1 1 294.464 3.461 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)CNC(=O)c1ccc(CCCC)cc1 ZINC001485327485 927849684 /nfs/dbraw/zinc/84/96/84/927849684.db2.gz VSWQJFOSWDERNJ-HNNXBMFYSA-N 1 1 288.435 3.265 20 30 CGEDMO C=CC[C@H](C(=O)OC)[N@H+]1CC[C@@H](C)C2(CCCCC2)C1 ZINC001473405818 937198647 /nfs/dbraw/zinc/19/86/47/937198647.db2.gz LSFXCEJYXYIEGO-HUUCEWRRSA-N 1 1 279.424 3.396 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)C1(C)CCC(C)CC1 ZINC001485391680 927860063 /nfs/dbraw/zinc/86/00/63/927860063.db2.gz YMXIBVJPUMCKKL-ISXOHVOVSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CC[NH+]1CC([C@@H](C)NC(=O)[C@@](C)(CC)CCCCC)C1 ZINC001485539029 927885135 /nfs/dbraw/zinc/88/51/35/927885135.db2.gz KWBJSDRUJDLWHB-QAPCUYQASA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@@]2(NC(=O)CCC)CCC[C@H]12 ZINC001486134549 927987200 /nfs/dbraw/zinc/98/72/00/927987200.db2.gz FNZPJAKURCHWQG-ZOBUZTSGSA-N 1 1 278.440 3.254 20 30 CGEDMO C=CCCC[N@H+]1CC[C@]2(NC(=O)C3CC=CC3)CCC[C@@H]12 ZINC001486136462 927987220 /nfs/dbraw/zinc/98/72/20/927987220.db2.gz BEJPAMVIKICCSJ-SJLPKXTDSA-N 1 1 288.435 3.032 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@@]2(NC(=O)C(C)C)CCC[C@@H]12 ZINC001486142761 927990572 /nfs/dbraw/zinc/99/05/72/927990572.db2.gz ZFKJEIMRUDEGMO-UXLLHSPISA-N 1 1 278.440 3.110 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)/C=C(/C)C3CC3)CCC[C@@H]12 ZINC001486141738 927991020 /nfs/dbraw/zinc/99/10/20/927991020.db2.gz SFOSLZQNHXDDKX-HIROUSEGSA-N 1 1 288.435 3.032 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)CCC3(C)CC3)CCC[C@H]12 ZINC001486161319 927993564 /nfs/dbraw/zinc/99/35/64/927993564.db2.gz TXRUMFMFFQZSBQ-MAUKXSAKSA-N 1 1 290.451 3.256 20 30 CGEDMO C#CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)CC(C)(C)C)[C@H]1C ZINC001486188458 927997992 /nfs/dbraw/zinc/99/79/92/927997992.db2.gz YYQCBRAQBJJIGI-CABCVRRESA-N 1 1 292.467 3.051 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)CC(C)(C)C)[C@H]1C ZINC001486188458 927998002 /nfs/dbraw/zinc/99/80/02/927998002.db2.gz YYQCBRAQBJJIGI-CABCVRRESA-N 1 1 292.467 3.051 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)CCC1CCCC1)C(C)C ZINC001486361803 928011158 /nfs/dbraw/zinc/01/11/58/928011158.db2.gz TZBGXABZKWEHBA-UHFFFAOYSA-N 1 1 280.456 3.312 20 30 CGEDMO CC#CC[N@@H+](C)CCN(C(=O)[C@@H]1CCCC[C@@H]1C)C(C)C ZINC001486375013 928012862 /nfs/dbraw/zinc/01/28/62/928012862.db2.gz QSCXPEUTIMUTII-DLBZAZTESA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C(CC)CC ZINC001230834678 928073999 /nfs/dbraw/zinc/07/39/99/928073999.db2.gz JWSKEAOAHMCIJJ-GDBMZVCRSA-N 1 1 280.456 3.310 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](N(C)C(=O)C2CC=CC2)C1 ZINC001494815126 928093876 /nfs/dbraw/zinc/09/38/76/928093876.db2.gz VUUGOMUVFXDEQI-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO CC(C)N1CC[C@H]([NH2+][C@H](C)Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC001171204427 928199921 /nfs/dbraw/zinc/19/99/21/928199921.db2.gz XRYMRVIFGLNDRI-FCEWJHQRSA-N 1 1 299.462 3.198 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(CN(C(=O)C[C@H](C)CCC)C2)C1 ZINC001147217643 928209808 /nfs/dbraw/zinc/20/98/08/928209808.db2.gz FQUOARJYQBEFNL-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C[C@H](COC)[NH2+]Cc1c(Cl)oc2ccccc21 ZINC001325620401 928255585 /nfs/dbraw/zinc/25/55/85/928255585.db2.gz XCFUOJYWEPBNIL-SNVBAGLBSA-N 1 1 265.740 3.377 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CCCCC1(C)C ZINC001488705136 928295955 /nfs/dbraw/zinc/29/59/55/928295955.db2.gz ZXQJQDRNKCROBR-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H]2C)[C@H]1CC ZINC001489126070 928315054 /nfs/dbraw/zinc/31/50/54/928315054.db2.gz YEQRGQYWPDFFRI-LUKYLMHMSA-N 1 1 292.467 3.358 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)C2CCC2)[C@H]1C ZINC001489242298 928324700 /nfs/dbraw/zinc/32/47/00/928324700.db2.gz LIILRZFGWQECKN-ZBFHGGJFSA-N 1 1 280.456 3.336 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(C)(C)C2)[C@H]1C ZINC001489288970 928326116 /nfs/dbraw/zinc/32/61/16/928326116.db2.gz PEQMWBUZPCVGBE-PMPSAXMXSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[N@@H+](CC2CC2)CC(C)(C)C1 ZINC001489346580 928327907 /nfs/dbraw/zinc/32/79/07/928327907.db2.gz CVHDRMSPPYRSJJ-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)C1(C)CCCCCC1 ZINC001492967004 937244297 /nfs/dbraw/zinc/24/42/97/937244297.db2.gz BWISRPNUTXJSTM-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)CCCNC(=O)[C@H](C)C(C)(C)C ZINC001490333821 928346492 /nfs/dbraw/zinc/34/64/92/928346492.db2.gz AKUJICYASKFNFW-ZDUSSCGKSA-N 1 1 288.863 3.249 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)C(C)=C1CCCC1)C1CC1 ZINC001490370180 928349712 /nfs/dbraw/zinc/34/97/12/928349712.db2.gz FXRWSLRSFLTPGL-UHFFFAOYSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CCCNC(=O)C(C)(C)C)C1CC1 ZINC001490391703 928350068 /nfs/dbraw/zinc/35/00/68/928350068.db2.gz SIYDXEGOMRDVKO-CQSZACIVSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001490434141 928363743 /nfs/dbraw/zinc/36/37/43/928363743.db2.gz LRQQCRMTBJXAIO-OAHLLOKOSA-N 1 1 294.414 3.331 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H](C[N@H+](C)[C@H](C)CCC=C)C1 ZINC001490754034 928388649 /nfs/dbraw/zinc/38/86/49/928388649.db2.gz UOPLHFXQQVERMX-IAGOWNOFSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H](C)C2CC2)C1 ZINC001317753568 928396456 /nfs/dbraw/zinc/39/64/56/928396456.db2.gz GVKDPHRKKNBTPK-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@H]1CCN(C(=O)C=C(C)C)C1 ZINC001317826582 928400120 /nfs/dbraw/zinc/40/01/20/928400120.db2.gz MMKIXFZLRKAUSF-QGZVFWFLSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C/C=C/C)C(=O)OCC)C1 ZINC001308740015 928541111 /nfs/dbraw/zinc/54/11/11/928541111.db2.gz BIZFKNBSBVOZBN-CEDMHZTKSA-N 1 1 265.397 3.219 20 30 CGEDMO N#Cc1cccc(C[NH2+]Cc2csc(C(F)(F)F)c2)n1 ZINC001308888662 928551518 /nfs/dbraw/zinc/55/15/18/928551518.db2.gz GOIAEVBJKCOLBE-UHFFFAOYSA-N 1 1 297.305 3.323 20 30 CGEDMO C=CCCC[N@H+](C)CCCN(C)C(=O)/C=C/C(C)(C)C ZINC001327189707 928629752 /nfs/dbraw/zinc/62/97/52/928629752.db2.gz SVJDRRPPNHRLKP-VAWYXSNFSA-N 1 1 280.456 3.335 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CCCCC3)C1 ZINC001460289418 928744209 /nfs/dbraw/zinc/74/42/09/928744209.db2.gz KEWLHPYCXPWIMN-DLBZAZTESA-N 1 1 275.436 3.461 20 30 CGEDMO C=CCCCCC[NH2+][C@H](C(=O)OC)[C@H]1CCC[C@@H](OC)C1 ZINC001460328600 928744353 /nfs/dbraw/zinc/74/43/53/928744353.db2.gz KTHNRQDMSDRCQL-XHSDSOJGSA-N 1 1 297.439 3.069 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)CCCCC)C1 ZINC001491090374 928830561 /nfs/dbraw/zinc/83/05/61/928830561.db2.gz UKQFDYRWUTWYKZ-AWEZNQCLSA-N 1 1 286.847 3.147 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)CCCCC)C1 ZINC001491090374 928830568 /nfs/dbraw/zinc/83/05/68/928830568.db2.gz UKQFDYRWUTWYKZ-AWEZNQCLSA-N 1 1 286.847 3.147 20 30 CGEDMO CCCCCCCCC(=O)N1CC[N@H+](C2CC2)C[C@@H]1C ZINC001457875086 937447086 /nfs/dbraw/zinc/44/70/86/937447086.db2.gz KQRPZGQPMOXTHH-HNNXBMFYSA-N 1 1 280.456 3.432 20 30 CGEDMO CCC[C@H](Cc1ccccc1)[N@@H+](CCC)C[C@H](O)CC#N ZINC001459431051 937488163 /nfs/dbraw/zinc/48/81/63/937488163.db2.gz YIMUHGDGCUIOEJ-QZTJIDSGSA-N 1 1 288.435 3.384 20 30 CGEDMO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2cc(C#N)ccn2)C1 ZINC001459554111 937491712 /nfs/dbraw/zinc/49/17/12/937491712.db2.gz AFZVVOZHPZOZPY-GJZGRUSLSA-N 1 1 275.421 3.059 20 30 CGEDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001459601218 937493472 /nfs/dbraw/zinc/49/34/72/937493472.db2.gz BYXCDDRRDXBBQX-JKSUJKDBSA-N 1 1 292.810 3.337 20 30 CGEDMO N#Cc1cccc([C@H](O)C[N@H+]2CC[C@@H]2c2cccc(F)c2)c1 ZINC001459609185 937493516 /nfs/dbraw/zinc/49/35/16/937493516.db2.gz LDSQZSCASQZJGN-QZTJIDSGSA-N 1 1 296.345 3.178 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC001459623314 937493853 /nfs/dbraw/zinc/49/38/53/937493853.db2.gz XKPRRAXPTVECRT-NVXWUHKLSA-N 1 1 258.409 3.157 20 30 CGEDMO C#CC[N@@H+](Cc1cc(Br)ccc1F)CC1CC1 ZINC001459779686 937499772 /nfs/dbraw/zinc/49/97/72/937499772.db2.gz WHEGSVOYSYSKRG-UHFFFAOYSA-N 1 1 296.183 3.433 20 30 CGEDMO C#CC[N@H+](Cc1cc(Br)ccc1F)CC1CC1 ZINC001459779686 937499773 /nfs/dbraw/zinc/49/97/73/937499773.db2.gz WHEGSVOYSYSKRG-UHFFFAOYSA-N 1 1 296.183 3.433 20 30 CGEDMO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1cc(C#N)ccn1 ZINC001459931546 937507072 /nfs/dbraw/zinc/50/70/72/937507072.db2.gz JJKOFJHJAFJUJE-PWSUYJOCSA-N 1 1 283.297 3.116 20 30 CGEDMO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1cc(C#N)ccn1 ZINC001459931546 937507073 /nfs/dbraw/zinc/50/70/73/937507073.db2.gz JJKOFJHJAFJUJE-PWSUYJOCSA-N 1 1 283.297 3.116 20 30 CGEDMO C#CC(C)(C)[N@H+](C)CC(=O)Nc1ccc2ccccc2c1 ZINC001459938270 937507523 /nfs/dbraw/zinc/50/75/23/937507523.db2.gz BXJULNQGQRNZCW-UHFFFAOYSA-N 1 1 280.371 3.122 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1ccc2ccccc2c1 ZINC001459938270 937507525 /nfs/dbraw/zinc/50/75/25/937507525.db2.gz BXJULNQGQRNZCW-UHFFFAOYSA-N 1 1 280.371 3.122 20 30 CGEDMO CCCCCCC[N@H+]1CCN(CCC)C(=O)C1(C)C ZINC001459987639 937510133 /nfs/dbraw/zinc/51/01/33/937510133.db2.gz HIFSJUMUOWNJCE-UHFFFAOYSA-N 1 1 268.445 3.290 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)CCSc1cccc(Cl)c1 ZINC001460026769 937511842 /nfs/dbraw/zinc/51/18/42/937511842.db2.gz CAVDTDRJZHYJJD-LLVKDONJSA-N 1 1 253.798 3.386 20 30 CGEDMO CCCCCCCCC[N@H+]1CCc2c(=O)[nH]n(C)c2C1 ZINC001460630936 937537620 /nfs/dbraw/zinc/53/76/20/937537620.db2.gz PBMHNKVSEIHMTB-UHFFFAOYSA-N 1 1 279.428 3.234 20 30 CGEDMO C[C@H]1CN([C@H](C#N)c2ccccc2)CC[N@H+]1C1CCCC1 ZINC001460781056 937544579 /nfs/dbraw/zinc/54/45/79/937544579.db2.gz QKXAJTILLOLINZ-MAUKXSAKSA-N 1 1 283.419 3.200 20 30 CGEDMO C[C@H]1CN(Cc2ccc(CC#N)cc2)CC[N@H+]1C1CCCC1 ZINC001460780812 937544992 /nfs/dbraw/zinc/54/49/92/937544992.db2.gz ORQRCKWNZFMGJM-INIZCTEOSA-N 1 1 297.446 3.201 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)c(F)c1)C1CCOCC1 ZINC001139530040 931953257 /nfs/dbraw/zinc/95/32/57/931953257.db2.gz IGKYGTYLDBIHHY-UHFFFAOYSA-N 1 1 276.355 3.088 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)[C@@H](C)C1 ZINC001140117860 931955766 /nfs/dbraw/zinc/95/57/66/931955766.db2.gz AFJGGGHAGDDMMR-SWLSCSKDSA-N 1 1 283.375 3.039 20 30 CGEDMO C[C@H](Oc1ccc(C(=[NH2+])NO)c(F)c1)c1ccccc1C#N ZINC001229081880 932089553 /nfs/dbraw/zinc/08/95/53/932089553.db2.gz XAIIWERRRBWQRN-JTQLQIEISA-N 1 1 299.305 3.142 20 30 CGEDMO C=CCCC(C)(C)C[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC001461676505 937591749 /nfs/dbraw/zinc/59/17/49/937591749.db2.gz POEMYRPEMXGUQN-AWEZNQCLSA-N 1 1 252.446 3.441 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)CCCCCC)CC1 ZINC001230178807 932538387 /nfs/dbraw/zinc/53/83/87/932538387.db2.gz OYFHBYRBWFWYFA-UHFFFAOYSA-N 1 1 286.847 3.290 20 30 CGEDMO C[C@H](CC(C)(C)S)Oc1ccc2[nH+]c(N)[nH]c2c1 ZINC001230518812 932582164 /nfs/dbraw/zinc/58/21/64/932582164.db2.gz UEVLVXWERFDHKP-MRVPVSSYSA-N 1 1 265.382 3.011 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC)CC1 ZINC001230586527 932593815 /nfs/dbraw/zinc/59/38/15/932593815.db2.gz AJGHYHRGNPPSSK-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccs1 ZINC001230646521 932602568 /nfs/dbraw/zinc/60/25/68/932602568.db2.gz QGKOXLZPHTYPMY-UONOGXRCSA-N 1 1 292.448 3.249 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C(C)C)[C@H]1C ZINC001332186505 932734917 /nfs/dbraw/zinc/73/49/17/932734917.db2.gz UFNZWHLWDOPIJN-HUUCEWRRSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CC[N@H+](C)CCCNC(=O)c1ccccc1C(C)C ZINC001264993628 932741343 /nfs/dbraw/zinc/74/13/43/932741343.db2.gz SOKVRGQTJZHFGW-UHFFFAOYSA-N 1 1 274.408 3.048 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@@H]([N@@H+](C)C/C=C\Cl)C2)C1 ZINC001491946818 932798377 /nfs/dbraw/zinc/79/83/77/932798377.db2.gz KDSWZKOEZFMPOS-BRLPQQTGSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@@H]([N@H+](C)CCCCC)C2)C1 ZINC001491946809 932798619 /nfs/dbraw/zinc/79/86/19/932798619.db2.gz JUJBOLSBXZMLDZ-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)C(C)(C)CC(C)C)C1 ZINC001491960772 932800308 /nfs/dbraw/zinc/80/03/08/932800308.db2.gz XDTHNVWJDUPSNK-INIZCTEOSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC(C)(C)C(=O)NCC[N@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001492434799 932816712 /nfs/dbraw/zinc/81/67/12/932816712.db2.gz HQWHVZQBYXQWHH-OWCLPIDISA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)C[N@@H+](C)CCNC(=O)c1cc(C(C)(C)C)oc1C ZINC001492435633 932817025 /nfs/dbraw/zinc/81/70/25/932817025.db2.gz VOYRJISIZBNSAV-UHFFFAOYSA-N 1 1 292.423 3.123 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCC[C@@H]([N@H+](C)CCCC)C1 ZINC001317375582 932861465 /nfs/dbraw/zinc/86/14/65/932861465.db2.gz LIFPDAOBUSOTAN-QGZVFWFLSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2(CCC)CC2)[C@H]1CC ZINC001316737315 932868467 /nfs/dbraw/zinc/86/84/67/932868467.db2.gz KCKUTPKZDDJTGO-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO Cc1[nH]c(CSc2ccc(C#N)cc2F)c(C)[nH+]1 ZINC001307305603 932938923 /nfs/dbraw/zinc/93/89/23/932938923.db2.gz MDDLDKOTNUKSLR-UHFFFAOYSA-N 1 1 261.325 3.330 20 30 CGEDMO CC(C)[N@@H+](C[C@@H](O)c1cccc(C#N)c1)C1CCCC1 ZINC001307529421 932966383 /nfs/dbraw/zinc/96/63/83/932966383.db2.gz OLJMCVDVXJHFHJ-QGZVFWFLSA-N 1 1 272.392 3.245 20 30 CGEDMO C#CCOCC[N@@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC001307536339 932967033 /nfs/dbraw/zinc/96/70/33/932967033.db2.gz XUHPMXFRHXKXDB-GOSISDBHSA-N 1 1 269.388 3.178 20 30 CGEDMO CCCCCCC[NH2+]C1(C(=O)OCC)CCCC1 ZINC001307566394 932970778 /nfs/dbraw/zinc/97/07/78/932970778.db2.gz ZKXWKKVWXNGLGD-UHFFFAOYSA-N 1 1 255.402 3.422 20 30 CGEDMO CC(C)C[C@H]1CCC[N@@H+](Cc2cc(C#N)ccn2)C1 ZINC001307584467 932973389 /nfs/dbraw/zinc/97/33/89/932973389.db2.gz SJZYFZNASTXPGH-OAHLLOKOSA-N 1 1 257.381 3.211 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1C[C@@H](Cc1ccccc1)OC ZINC001307731321 932992727 /nfs/dbraw/zinc/99/27/27/932992727.db2.gz DOIJTIQXHWPUBG-DLBZAZTESA-N 1 1 259.393 3.285 20 30 CGEDMO C[N@@H+](C[C@@H](O)c1cccc(C#N)c1)[C@@H]1CCC(C)(C)C1 ZINC001307739225 932994497 /nfs/dbraw/zinc/99/44/97/932994497.db2.gz WULUNQJYBAYEQC-HZPDHXFCSA-N 1 1 272.392 3.102 20 30 CGEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)CC[C@@H]1C[C@H]1C1CC1 ZINC001307812879 933003785 /nfs/dbraw/zinc/00/37/85/933003785.db2.gz SYVHHLHQCSJMAV-MOPGFXCFSA-N 1 1 298.430 3.443 20 30 CGEDMO C=C(CC)C[N@H+]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC001307838490 933006082 /nfs/dbraw/zinc/00/60/82/933006082.db2.gz FFIORGQOEHWNBT-MRXNPFEDSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C(CC)CN1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001307838490 933006083 /nfs/dbraw/zinc/00/60/83/933006083.db2.gz FFIORGQOEHWNBT-MRXNPFEDSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C(CC)CN1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001307838490 933006090 /nfs/dbraw/zinc/00/60/90/933006090.db2.gz FFIORGQOEHWNBT-MRXNPFEDSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@@H](O)[C@H]1CCc1ccccc1 ZINC001307872569 933011340 /nfs/dbraw/zinc/01/13/40/933011340.db2.gz SJXWCNUIDVJMIJ-QZTJIDSGSA-N 1 1 273.420 3.411 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC001307915882 933020486 /nfs/dbraw/zinc/02/04/86/933020486.db2.gz ZACZTZHIQMJBGW-HZPDHXFCSA-N 1 1 251.414 3.216 20 30 CGEDMO C#CC[N@H+](CCCOc1cccc(C#N)c1)C(C)(C)C ZINC001308088152 933046983 /nfs/dbraw/zinc/04/69/83/933046983.db2.gz LSGCUSUFDXCBNK-UHFFFAOYSA-N 1 1 270.376 3.061 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(F)c(F)c1 ZINC001308137663 933055009 /nfs/dbraw/zinc/05/50/09/933055009.db2.gz SOKYUBADTOUFBC-CZUORRHYSA-N 1 1 281.346 3.429 20 30 CGEDMO C=CCC[C@@H]1CCC[N@H+]1C[C@H]1COc2ccccc2O1 ZINC001308136286 933055121 /nfs/dbraw/zinc/05/51/21/933055121.db2.gz KGIJBHGNVIRDQE-CABCVRRESA-N 1 1 273.376 3.257 20 30 CGEDMO C#C[C@H]1CCCC[N@@H+]1C[C@@H](C)c1ccc(OC)cc1 ZINC001308142188 933057397 /nfs/dbraw/zinc/05/73/97/933057397.db2.gz PURRVMKBFVAUJJ-ZBFHGGJFSA-N 1 1 257.377 3.286 20 30 CGEDMO C=CC[C@@H](C(=O)OC)[N@H+]1CCC[C@H](C2CCCC2)C1 ZINC001308157892 933060388 /nfs/dbraw/zinc/06/03/88/933060388.db2.gz QIVXEDMBGKNDBM-GJZGRUSLSA-N 1 1 265.397 3.006 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCCC[C@@H]2[C@@H]2CCCO2)CC1 ZINC001308158576 933061816 /nfs/dbraw/zinc/06/18/16/933061816.db2.gz BYUIKWDAGWFUDX-BACDZXNISA-N 1 1 276.424 3.350 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCCC[C@@H]2[C@H]2CCCO2)CC1 ZINC001308158578 933062247 /nfs/dbraw/zinc/06/22/47/933062247.db2.gz BYUIKWDAGWFUDX-BHUNQDJPSA-N 1 1 276.424 3.350 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1cc(-c2ccccn2)n[nH]1 ZINC001462634775 937655630 /nfs/dbraw/zinc/65/56/30/937655630.db2.gz MTDWAZXJLWCELS-UHFFFAOYSA-N 1 1 270.380 3.260 20 30 CGEDMO Cc1ccc(C[NH2+]Cc2cc(C#N)cs2)c(Cl)n1 ZINC001308504492 933121905 /nfs/dbraw/zinc/12/19/05/933121905.db2.gz WAUALNCMQZOERZ-UHFFFAOYSA-N 1 1 277.780 3.266 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)cc(F)c1O ZINC001308614013 933143823 /nfs/dbraw/zinc/14/38/23/933143823.db2.gz MHELJQQZXANGHJ-UHFFFAOYSA-N 1 1 288.297 3.174 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)cc(F)c1O ZINC001308614013 933143827 /nfs/dbraw/zinc/14/38/27/933143827.db2.gz MHELJQQZXANGHJ-UHFFFAOYSA-N 1 1 288.297 3.174 20 30 CGEDMO C#Cc1ccc(C[N@H+]2Cc3ccccc3O[C@@H](C)C2)cc1 ZINC001308793333 933177367 /nfs/dbraw/zinc/17/73/67/933177367.db2.gz QFBHPJZNNAPCFP-HNNXBMFYSA-N 1 1 277.367 3.451 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccccc2NCC)C1 ZINC001308832526 933185679 /nfs/dbraw/zinc/18/56/79/933185679.db2.gz MRUCTYWGINRHGZ-OAHLLOKOSA-N 1 1 256.393 3.354 20 30 CGEDMO C=CCCCN(CC)C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC001311400345 933294564 /nfs/dbraw/zinc/29/45/64/933294564.db2.gz JEJWDIGZWSFIJD-CVEARBPZSA-N 1 1 295.471 3.247 20 30 CGEDMO C=CC[C@H](C)NC(=O)NCCC[N@H+](CC)C1CCCCC1 ZINC001312963790 933413428 /nfs/dbraw/zinc/41/34/28/933413428.db2.gz KBPOKEHYYIZGKC-HNNXBMFYSA-N 1 1 295.471 3.295 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)CC2(C=C)CCCCC2)C1 ZINC001316949860 933459293 /nfs/dbraw/zinc/45/92/93/933459293.db2.gz BISLKCRERWWIQQ-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)/C=C(/C)CC)C1 ZINC001317036858 933467201 /nfs/dbraw/zinc/46/72/01/933467201.db2.gz IXPSYGVPOPYCJF-VZVUQDNOSA-N 1 1 292.467 3.479 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C)C(C)C)C1 ZINC001317042424 933467362 /nfs/dbraw/zinc/46/73/62/933467362.db2.gz KRLPPKMAFFYINV-DLBZAZTESA-N 1 1 294.483 3.415 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCC ZINC001316722132 933477546 /nfs/dbraw/zinc/47/75/46/933477546.db2.gz YCAJXSYCTOZPJA-HYVNUMGLSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)CCC)C[C@@H]2C1 ZINC001316748618 933478260 /nfs/dbraw/zinc/47/82/60/933478260.db2.gz COTSKKUILZVXEU-BBWFWOEESA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[C@H](C)SC ZINC001316803604 933480365 /nfs/dbraw/zinc/48/03/65/933480365.db2.gz RMYVEZWCVXPQDD-GJZGRUSLSA-N 1 1 298.496 3.017 20 30 CGEDMO C=C(C)C[N@@H+](C)CCCNC(=O)c1ccc(Cl)cc1F ZINC001316833691 933485242 /nfs/dbraw/zinc/48/52/42/933485242.db2.gz JNIOBSXTUBKCIR-UHFFFAOYSA-N 1 1 298.789 3.107 20 30 CGEDMO C=C(C)C[N@@H+](CCCNC(=O)C[C@H]1CC=CCC1)C1CC1 ZINC001316923027 933494917 /nfs/dbraw/zinc/49/49/17/933494917.db2.gz YMEVPZOGSASKBL-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1(C)CC1 ZINC001317048349 933521582 /nfs/dbraw/zinc/52/15/82/933521582.db2.gz SEAILEONZXKOMF-OAGGEKHMSA-N 1 1 290.451 3.207 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)CCCC[C@@H](C)CC)C1 ZINC001317133312 933536628 /nfs/dbraw/zinc/53/66/28/933536628.db2.gz YLRIZGKSGMTFET-IRXDYDNUSA-N 1 1 292.467 3.054 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H](CNC(=O)C2CC2)C1 ZINC001317128364 933538458 /nfs/dbraw/zinc/53/84/58/933538458.db2.gz MLOJGSKTXQEUKL-HNNXBMFYSA-N 1 1 280.456 3.195 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@H](C)CC)C1 ZINC001317141645 933539576 /nfs/dbraw/zinc/53/95/76/933539576.db2.gz ZYTXQKSETUBMKV-CABCVRRESA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)C(C)(CC)CC)C1 ZINC001317137891 933540730 /nfs/dbraw/zinc/54/07/30/933540730.db2.gz PSZGKKISCPXKPJ-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@H]1CCCC[N@H+]1CC(=C)C ZINC001317178332 933547649 /nfs/dbraw/zinc/54/76/49/933547649.db2.gz LNJNPUIGGTWQOT-WBVHZDCISA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2(CCC)CCC2)C1 ZINC001317208456 933554735 /nfs/dbraw/zinc/55/47/35/933554735.db2.gz JRXXLCPYIBYQIQ-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2(F)CCCCC2)C1 ZINC001317206794 933555374 /nfs/dbraw/zinc/55/53/74/933555374.db2.gz SYXOOFCHAQYCKI-GJZGRUSLSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@@H](C)SC)C1 ZINC001317374100 933578393 /nfs/dbraw/zinc/57/83/93/933578393.db2.gz SYGBWEGHJPYBPO-HUUCEWRRSA-N 1 1 298.496 3.017 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@H]([N@H+](C)CC(C)C)C1 ZINC001317378007 933581440 /nfs/dbraw/zinc/58/14/40/933581440.db2.gz VUVBMVDFLGPQGC-HNNXBMFYSA-N 1 1 280.456 3.168 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)CC(C)(C)CC ZINC001317423667 933591866 /nfs/dbraw/zinc/59/18/66/933591866.db2.gz OKRLQXXHNUWIES-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)Cc1ccsc1C ZINC001317463667 933596290 /nfs/dbraw/zinc/59/62/90/933596290.db2.gz JTDTXWIGXJHFSK-ZDUSSCGKSA-N 1 1 294.464 3.002 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C=C1CCCCC1 ZINC001317497171 933604594 /nfs/dbraw/zinc/60/45/94/933604594.db2.gz LOIFYCIPPTVVIF-HNNXBMFYSA-N 1 1 296.842 3.210 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C=C1CCCCC1 ZINC001317497171 933604599 /nfs/dbraw/zinc/60/45/99/933604599.db2.gz LOIFYCIPPTVVIF-HNNXBMFYSA-N 1 1 296.842 3.210 20 30 CGEDMO C=CCCC[N@H+](CC)CCNC(=O)C1C[C@@H](C)C[C@H](C)C1 ZINC001317492895 933604901 /nfs/dbraw/zinc/60/49/01/933604901.db2.gz QTEQWHIPXCFQJZ-HOTGVXAUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CCC[N@@H+]2C[C@H](F)CC)CCC1 ZINC001317509867 933607608 /nfs/dbraw/zinc/60/76/08/933607608.db2.gz QCBIDPZHLPJBSM-HUUCEWRRSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)CC[N@H+](CCNC(=O)C[C@@H]1CCC[C@H]1C)C1CC1 ZINC001317550926 933617730 /nfs/dbraw/zinc/61/77/30/933617730.db2.gz DCSXQNZNGCFNCO-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO CC#CC[N@@H+](CCCNC(=O)CC1=CCCCC1)C(C)C ZINC001317683881 933631494 /nfs/dbraw/zinc/63/14/94/933631494.db2.gz WFNGZENVAGTENP-UHFFFAOYSA-N 1 1 290.451 3.117 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)C1(C)C(C)(C)C1(C)C)C(C)C ZINC001317711472 933636695 /nfs/dbraw/zinc/63/66/95/933636695.db2.gz PLGBFWJTYDIEOH-UHFFFAOYSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCn1cnn(C[NH+](CC(C)C)CC(C)C)c1=S ZINC001317732332 933640570 /nfs/dbraw/zinc/64/05/70/933640570.db2.gz KGTWWLKSCALZEO-UHFFFAOYSA-N 1 1 282.457 3.172 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)CCCC)C1 ZINC001317752822 933643262 /nfs/dbraw/zinc/64/32/62/933643262.db2.gz FNIRQZNXHBMLNG-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO C=C(C)CCC(=O)N(CCC)[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001317759359 933645438 /nfs/dbraw/zinc/64/54/38/933645438.db2.gz PBQUJTOTIRCZRE-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001317790861 933649303 /nfs/dbraw/zinc/64/93/03/933649303.db2.gz WRUASRMTNJETIR-AEFFLSMTSA-N 1 1 290.451 3.137 20 30 CGEDMO C#CCCCCC(=O)N1CC[C@H](C[N@H+](C)CCC(C)C)C1 ZINC001317833514 933656573 /nfs/dbraw/zinc/65/65/73/933656573.db2.gz SDYWHINCTMBERU-QGZVFWFLSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)C(CC)CC)C1 ZINC001317841637 933657035 /nfs/dbraw/zinc/65/70/35/933657035.db2.gz GHAMUMCMLCSFPQ-HOTGVXAUSA-N 1 1 294.483 3.415 20 30 CGEDMO CCCCCCCNC(=O)Nc1cc(C)[nH+]c(C)c1 ZINC001465885648 937704453 /nfs/dbraw/zinc/70/44/53/937704453.db2.gz KQTJMEHUWMQOSA-UHFFFAOYSA-N 1 1 263.385 3.212 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@H](NC(=O)CC2CCC2)C1 ZINC001318321097 933709236 /nfs/dbraw/zinc/70/92/36/933709236.db2.gz YIKZAZWAIHDNHA-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC(=O)N(C)[C@H]1CC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC001318385794 933719339 /nfs/dbraw/zinc/71/93/39/933719339.db2.gz JPQUNPMLIVAZPS-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@](C)(F)CCCC)C1 ZINC001318411391 933722025 /nfs/dbraw/zinc/72/20/25/933722025.db2.gz CVPBMLMPJVIKKT-RDJZCZTQSA-N 1 1 298.446 3.404 20 30 CGEDMO C=CCn1cnn(C[N@H+]2CCC[C@@H]2CCC(C)C)c1=S ZINC001319227309 933845287 /nfs/dbraw/zinc/84/52/87/933845287.db2.gz QSTWFTGBMPFUHM-CQSZACIVSA-N 1 1 294.468 3.458 20 30 CGEDMO C=CCn1cnn(C[N@@H+]2CCC[C@@H]2CCC(C)C)c1=S ZINC001319227309 933845295 /nfs/dbraw/zinc/84/52/95/933845295.db2.gz QSTWFTGBMPFUHM-CQSZACIVSA-N 1 1 294.468 3.458 20 30 CGEDMO C[C@H](CO)[N@@H+](Cc1cc(C#N)cs1)Cc1ccccc1 ZINC001319719322 933920876 /nfs/dbraw/zinc/92/08/76/933920876.db2.gz XPSNXNOZVZNTND-CYBMUJFWSA-N 1 1 286.400 3.003 20 30 CGEDMO C#CC[N@H+](Cc1cc(F)cc2cccnc21)CC1CC1 ZINC001319721502 933921977 /nfs/dbraw/zinc/92/19/77/933921977.db2.gz KLXDGODHOMNURG-UHFFFAOYSA-N 1 1 268.335 3.219 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCC1CCN(C(=O)CCCF)CC1 ZINC001319885624 933949716 /nfs/dbraw/zinc/94/97/16/933949716.db2.gz KLPWOICGSMHKPX-UHFFFAOYSA-N 1 1 298.446 3.263 20 30 CGEDMO CC#CC[N@@H+](C)CCN(C)C(=O)CCC1CCCCCC1 ZINC001320024858 933981374 /nfs/dbraw/zinc/98/13/74/933981374.db2.gz BSFGYXPSGVIKNQ-UHFFFAOYSA-N 1 1 292.467 3.151 20 30 CGEDMO C=C[C@H](CC)CC(=O)N(C)CC[N@@H+](C)Cc1ccsc1 ZINC001320034852 933982929 /nfs/dbraw/zinc/98/29/29/933982929.db2.gz MTDVKAXPLRQYLA-CQSZACIVSA-N 1 1 294.464 3.241 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](CCCc2ccccc2C)C1 ZINC001320161214 934011293 /nfs/dbraw/zinc/01/12/93/934011293.db2.gz WFOKTMZPWZZGEU-QGZVFWFLSA-N 1 1 259.393 3.205 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](CC(C)(C)c2ccccc2)C1 ZINC001320208289 934016626 /nfs/dbraw/zinc/01/66/26/934016626.db2.gz HMDNWMIAVXXEPJ-INIZCTEOSA-N 1 1 259.393 3.241 20 30 CGEDMO C=C[C@@H](COC)[NH2+][C@H](C)c1nc2ccc(Cl)cc2n1C ZINC001320305844 934028492 /nfs/dbraw/zinc/02/84/92/934028492.db2.gz HOWCIURHKZFWMD-PWSUYJOCSA-N 1 1 293.798 3.078 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2ncc(-c3ccccc3C)o2)C1 ZINC001320321935 934030142 /nfs/dbraw/zinc/03/01/42/934030142.db2.gz PTXCAYZGQURLFM-OAHLLOKOSA-N 1 1 298.386 3.427 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ncc(-c3ccccc3C)o2)C1 ZINC001320321935 934030152 /nfs/dbraw/zinc/03/01/52/934030152.db2.gz PTXCAYZGQURLFM-OAHLLOKOSA-N 1 1 298.386 3.427 20 30 CGEDMO C#CCOCC[N@H+](C)Cc1ccc(OC(C)C)c(Cl)c1 ZINC001320752561 934097986 /nfs/dbraw/zinc/09/79/86/934097986.db2.gz NQFCKRRVXHVFKN-UHFFFAOYSA-N 1 1 295.810 3.209 20 30 CGEDMO C=CC[C@H]([NH2+][C@@H](C)CCC=C(C)C)C(=O)OCC ZINC001321965414 934228538 /nfs/dbraw/zinc/22/85/38/934228538.db2.gz BFUPDAXMLNMYBI-KBPBESRZSA-N 1 1 253.386 3.219 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)c1cccc(C)c1F ZINC001322162082 934254407 /nfs/dbraw/zinc/25/44/07/934254407.db2.gz YJQXMYPUFQJBMV-CQSZACIVSA-N 1 1 292.398 3.150 20 30 CGEDMO C=CC[C@H](C)NC(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001471116205 937761349 /nfs/dbraw/zinc/76/13/49/937761349.db2.gz PZKXMNADJBQCGD-GOEBONIOSA-N 1 1 293.455 3.047 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](C[C@@H](OC)c2ccc(Cl)cc2)C1 ZINC001322716265 934332663 /nfs/dbraw/zinc/33/26/63/934332663.db2.gz GUOVLZJJZDWNGI-JKSUJKDBSA-N 1 1 295.810 3.304 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)C(C)=C1CCCC1 ZINC001323211378 934373746 /nfs/dbraw/zinc/37/37/46/934373746.db2.gz LWZHOXQQQYVMPV-WMLDXEAASA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCCCCC[N@@H+](C)Cc1c(Cl)nc(OC)n1C ZINC001323323743 934387004 /nfs/dbraw/zinc/38/70/04/934387004.db2.gz QSBJNVOAHNHEJC-UHFFFAOYSA-N 1 1 285.819 3.260 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1c(Cl)nc(OC)n1C ZINC001323323743 934387014 /nfs/dbraw/zinc/38/70/14/934387014.db2.gz QSBJNVOAHNHEJC-UHFFFAOYSA-N 1 1 285.819 3.260 20 30 CGEDMO C#CC[N@H+](Cc1nccc2ccccc21)CC1CC1 ZINC001323330606 934387381 /nfs/dbraw/zinc/38/73/81/934387381.db2.gz ICYRNWQCPSLYSZ-UHFFFAOYSA-N 1 1 250.345 3.080 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2ncc(C(C)C)s2)C1 ZINC001323786847 934426225 /nfs/dbraw/zinc/42/62/25/934426225.db2.gz ZNHURRLJAMSHGK-GFCCVEGCSA-N 1 1 266.410 3.043 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ncc(C(C)C)s2)C1 ZINC001323786847 934426227 /nfs/dbraw/zinc/42/62/27/934426227.db2.gz ZNHURRLJAMSHGK-GFCCVEGCSA-N 1 1 266.410 3.043 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@H](C=C)CC)C2)C1 ZINC001323860452 934432990 /nfs/dbraw/zinc/43/29/90/934432990.db2.gz RSYXRTIYAWTUCN-FUHWJXTLSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)CC[C@@H](C)CC)C2)C1 ZINC001323872891 934434444 /nfs/dbraw/zinc/43/44/44/934434444.db2.gz LYJZCHCSTNBCJA-WMZOPIPTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](C[C@@H](OC(C)C)c2ccccc2)C1 ZINC001324368604 934493526 /nfs/dbraw/zinc/49/35/26/934493526.db2.gz BJXGWEGBRCDXIL-ZWKOTPCHSA-N 1 1 289.419 3.430 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)CCC2CCCC2)C1 ZINC001324570576 934525166 /nfs/dbraw/zinc/52/51/66/934525166.db2.gz FTUXXIAFQQEGEC-KRWDZBQOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)C/C=C/c2ccc(C)cc2)C1 ZINC001324679737 934547592 /nfs/dbraw/zinc/54/75/92/934547592.db2.gz FMBIIPXKIQMDNY-ZMBJWTFHSA-N 1 1 298.430 3.165 20 30 CGEDMO CCC[C@@]1(C)CCC[N@@H+](Cc2cc(C#N)ccn2)C1 ZINC001473191217 937796528 /nfs/dbraw/zinc/79/65/28/937796528.db2.gz JTZSQLYILKKFFE-INIZCTEOSA-N 1 1 257.381 3.355 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@H+]2C[C@@H](C)CC[C@H]2C)cc1 ZINC001473183550 937796580 /nfs/dbraw/zinc/79/65/80/937796580.db2.gz BSJNGKJIDKFRFH-LSDHHAIUSA-N 1 1 284.403 3.117 20 30 CGEDMO C#CC[N@H+](CCO[C@H](CC)c1ccccc1)CC1CC1 ZINC001473287204 937800245 /nfs/dbraw/zinc/80/02/45/937800245.db2.gz KEWBKLZLTOOECA-GOSISDBHSA-N 1 1 271.404 3.500 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)C[C@H]1CCC2(CCC2)O1 ZINC001473319615 937801868 /nfs/dbraw/zinc/80/18/68/937801868.db2.gz XQEGXYRLOCQANX-MRXNPFEDSA-N 1 1 275.392 3.412 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001473382515 937803865 /nfs/dbraw/zinc/80/38/65/937803865.db2.gz YLPKRRNNOYZIIC-QGZVFWFLSA-N 1 1 294.439 3.428 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](C)C[C@@H]1C(=O)OC ZINC001473409286 937805255 /nfs/dbraw/zinc/80/52/55/937805255.db2.gz CYAZUOVUYLEJBI-ZIAGYGMSSA-N 1 1 255.402 3.230 20 30 CGEDMO CCOc1ccc2c(c1)C[N@@H+]([C@H]1CC[C@H](C#N)C1)CC2 ZINC001324926832 934872642 /nfs/dbraw/zinc/87/26/42/934872642.db2.gz BCUAMTGSJQFUTD-BBRMVZONSA-N 1 1 270.376 3.136 20 30 CGEDMO C#CC[N@@H+](C[C@@H]1CCC2(CCCCCC2)O1)C1CC1 ZINC001473482046 937808407 /nfs/dbraw/zinc/80/84/07/937808407.db2.gz PHYLATNBXREHAN-INIZCTEOSA-N 1 1 261.409 3.356 20 30 CGEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](CC)CCC)C2 ZINC001325630590 934921453 /nfs/dbraw/zinc/92/14/53/934921453.db2.gz WNLJDWZMVSYYRV-WCXIOVBPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@H+]1[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1C ZINC001473578968 937811842 /nfs/dbraw/zinc/81/18/42/937811842.db2.gz VQWIPFMYVXLXKL-RDBSUJKOSA-N 1 1 282.428 3.281 20 30 CGEDMO C=CCC[N@H+]1[C@H](C)CN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C ZINC001473578967 937811973 /nfs/dbraw/zinc/81/19/73/937811973.db2.gz VQWIPFMYVXLXKL-MGPQQGTHSA-N 1 1 282.428 3.281 20 30 CGEDMO CC#CC[N@@H+]1[C@@H](C)[C@H](C)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001473595170 937813067 /nfs/dbraw/zinc/81/30/67/937813067.db2.gz RGACILYUAYQHQW-ILXRZTDVSA-N 1 1 294.439 3.023 20 30 CGEDMO C[N@@H+](CCc1cccc(F)c1)CCc1cccc(C#N)c1 ZINC001473731553 937819326 /nfs/dbraw/zinc/81/93/26/937819326.db2.gz CPQNEBDUKXFGGG-UHFFFAOYSA-N 1 1 282.362 3.414 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](CCSC2CCCCC2)C1 ZINC001327068357 935026056 /nfs/dbraw/zinc/02/60/56/935026056.db2.gz SFOTUMKLCMDQCH-AWEZNQCLSA-N 1 1 269.454 3.329 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)CC)CC1 ZINC001327147701 935036260 /nfs/dbraw/zinc/03/62/60/935036260.db2.gz PKUKHLWMERJJML-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)C[C@H]1CC=CCC1 ZINC001327245562 935046421 /nfs/dbraw/zinc/04/64/21/935046421.db2.gz MBEWVOVGWCRAJM-HNNXBMFYSA-N 1 1 298.858 3.266 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCN(C)C(=O)C[C@H]1CC=CCC1 ZINC001327245562 935046427 /nfs/dbraw/zinc/04/64/27/935046427.db2.gz MBEWVOVGWCRAJM-HNNXBMFYSA-N 1 1 298.858 3.266 20 30 CGEDMO C=CCCC[N@H+](C)CCCN(C)C(=O)C1(C)CCCC1 ZINC001327246325 935047813 /nfs/dbraw/zinc/04/78/13/935047813.db2.gz VTSBDHYNCDCFMO-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCCOC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC001327355938 935055857 /nfs/dbraw/zinc/05/58/57/935055857.db2.gz YUPJHCNVJQHPSX-QGZVFWFLSA-N 1 1 287.403 3.469 20 30 CGEDMO C=CCCOC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC001327355938 935055863 /nfs/dbraw/zinc/05/58/63/935055863.db2.gz YUPJHCNVJQHPSX-QGZVFWFLSA-N 1 1 287.403 3.469 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@]2(CC[N@H+](CC[C@@H](C)F)C2)C1 ZINC001327523553 935065973 /nfs/dbraw/zinc/06/59/73/935065973.db2.gz CSMFTHNTRYYELS-WBVHZDCISA-N 1 1 296.430 3.015 20 30 CGEDMO C=CC[C@H]1CCCN(c2cc[nH+]cc2C(=O)OCC)C1 ZINC001327692460 935077713 /nfs/dbraw/zinc/07/77/13/935077713.db2.gz OTBGXTBPWJLESS-ZDUSSCGKSA-N 1 1 274.364 3.051 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)CC(C)C)C(C)(C)C1 ZINC001328062887 935113808 /nfs/dbraw/zinc/11/38/08/935113808.db2.gz WUFALGITIYGKDK-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)CC)C(C)(C)C1 ZINC001328100974 935117619 /nfs/dbraw/zinc/11/76/19/935117619.db2.gz CSIRECGRRZLFCD-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC1(C)C ZINC001328751694 935166036 /nfs/dbraw/zinc/16/60/36/935166036.db2.gz ACWXLZRXCSBRTK-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@]1(C)C=CCC1 ZINC001328752657 935166808 /nfs/dbraw/zinc/16/68/08/935166808.db2.gz KRCXKEACQYGEDG-ZBFHGGJFSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@]1(C)C=CCC1 ZINC001328752657 935166813 /nfs/dbraw/zinc/16/68/13/935166813.db2.gz KRCXKEACQYGEDG-ZBFHGGJFSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)CC ZINC001328766185 935167526 /nfs/dbraw/zinc/16/75/26/935167526.db2.gz UROBVQOXMSPNFN-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1cccc(C2CC2)c1 ZINC001328799592 935169999 /nfs/dbraw/zinc/16/99/99/935169999.db2.gz XNWWOQPPRJONDM-SFHVURJKSA-N 1 1 298.430 3.286 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)C1CCC1 ZINC001329501368 935222353 /nfs/dbraw/zinc/22/23/53/935222353.db2.gz QDRVGPBNNARVKH-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)C1(C2CCCCC2)CC1 ZINC001329601237 935233127 /nfs/dbraw/zinc/23/31/27/935233127.db2.gz RGFWCWSNPVQMFY-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)c1c(C)cccc1F ZINC001329628403 935235562 /nfs/dbraw/zinc/23/55/62/935235562.db2.gz QPTHSEWSTYFEED-CQSZACIVSA-N 1 1 292.398 3.150 20 30 CGEDMO C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)C[C@H]1C=CCCC1 ZINC001329924570 935255373 /nfs/dbraw/zinc/25/53/73/935255373.db2.gz XHRUUOVUHDMKFR-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCCC)C[C@H]2C1 ZINC001330465670 935289936 /nfs/dbraw/zinc/28/99/36/935289936.db2.gz FCLSNWPFKUUUTD-GVDBMIGSSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C(C)C)C[C@@H]2C1 ZINC001330465676 935290063 /nfs/dbraw/zinc/29/00/63/935290063.db2.gz FCNVSKMVLITZMV-OWCLPIDISA-N 1 1 292.467 3.214 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC(C)C)C[C@H]2C1 ZINC001330468009 935290164 /nfs/dbraw/zinc/29/01/64/935290164.db2.gz OINQLXDXXHTFCX-BRWVUGGUSA-N 1 1 292.467 3.215 20 30 CGEDMO CC(=[NH+]N[C@H]1CC(C)(C)OC1(C)C)c1cc(N)ccc1F ZINC001330922949 935334736 /nfs/dbraw/zinc/33/47/36/935334736.db2.gz CLORLKWRIODJTQ-AWEZNQCLSA-N 1 1 293.386 3.068 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)CC(C)(C)CC)CC1 ZINC001331028444 935342843 /nfs/dbraw/zinc/34/28/43/935342843.db2.gz HBMGJMAEXHMISU-UHFFFAOYSA-N 1 1 280.456 3.312 20 30 CGEDMO CC(C)[C@H](C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccccc1 ZINC001332022284 935435177 /nfs/dbraw/zinc/43/51/77/935435177.db2.gz WDBJLCMMLACNTR-SCTDSRPQSA-N 1 1 299.462 3.344 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)C/C=C(\C)C=C)CCC[C@@H]12 ZINC001332098662 935440051 /nfs/dbraw/zinc/44/00/51/935440051.db2.gz FNSIQZZFRGPMKV-MIELAWFYSA-N 1 1 288.435 3.198 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H](NC(=O)C(F)F)[C@@H]1C ZINC001332163434 935445377 /nfs/dbraw/zinc/44/53/77/935445377.db2.gz ZNYKESPUSGADBI-STQMWFEESA-N 1 1 290.398 3.191 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C2(CC)CC2)[C@H]1C ZINC001332208383 935448606 /nfs/dbraw/zinc/44/86/06/935448606.db2.gz VXZNAVSXXCFNNB-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCSC[C@@H]2C2CC2)s1 ZINC001333446212 935535913 /nfs/dbraw/zinc/53/59/13/935535913.db2.gz YBVVHSVDOVVJMX-CQSZACIVSA-N 1 1 278.446 3.337 20 30 CGEDMO Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]CC1(C#N)CC1 ZINC001333712574 936058220 /nfs/dbraw/zinc/05/82/20/936058220.db2.gz AHFAMESRIMAKMF-UHFFFAOYSA-N 1 1 294.402 3.191 20 30 CGEDMO CC[N@H+](Cc1csc(C#N)c1)Cc1ccncc1 ZINC001333814778 936068335 /nfs/dbraw/zinc/06/83/35/936068335.db2.gz SVSDEKDHDHBCJI-UHFFFAOYSA-N 1 1 257.362 3.037 20 30 CGEDMO CC[N@@H+](Cc1csc(C#N)c1)Cc1ccncc1 ZINC001333814778 936068339 /nfs/dbraw/zinc/06/83/39/936068339.db2.gz SVSDEKDHDHBCJI-UHFFFAOYSA-N 1 1 257.362 3.037 20 30 CGEDMO C=CCC[C@H]([NH2+]C[C@H]1CCCN(CC)C1)C1CC1 ZINC001334869288 936119572 /nfs/dbraw/zinc/11/95/72/936119572.db2.gz WTVTXXVVOWENJZ-ZBFHGGJFSA-N 1 1 250.430 3.053 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2cccc3ncccc23)C1 ZINC001336742683 936212828 /nfs/dbraw/zinc/21/28/28/936212828.db2.gz RNNXCJATDFGNSJ-OAHLLOKOSA-N 1 1 268.360 3.012 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](CCSc2ccc(F)cc2)C1 ZINC001337650423 936277620 /nfs/dbraw/zinc/27/76/20/936277620.db2.gz PTIWAZCOOKMKMF-AWEZNQCLSA-N 1 1 281.396 3.195 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C(=O)OC(C)C)cc1)C(C)C ZINC001473817829 937823216 /nfs/dbraw/zinc/82/32/16/937823216.db2.gz ZFDMGNQCRXXGPY-UHFFFAOYSA-N 1 1 273.376 3.095 20 30 CGEDMO CC(C)c1ccc2c(c1)CC[N@H+](C[C@H](O)CC1(C#N)CC1)C2 ZINC001473905945 937828745 /nfs/dbraw/zinc/82/87/45/937828745.db2.gz YOSAHVCUZYCOKZ-GOSISDBHSA-N 1 1 298.430 3.223 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCC[C@@]23CCCOC3)cc1F ZINC001473901825 937828983 /nfs/dbraw/zinc/82/89/83/937828983.db2.gz OERNEIYDLSWCIR-KRWDZBQOSA-N 1 1 288.366 3.232 20 30 CGEDMO N#Cc1ccc(F)c(C[NH2+]Cc2cccc(Cl)c2N)c1 ZINC001474267865 937847033 /nfs/dbraw/zinc/84/70/33/937847033.db2.gz CJJOGGSLPAEEFO-UHFFFAOYSA-N 1 1 289.741 3.223 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001474389580 937856561 /nfs/dbraw/zinc/85/65/61/937856561.db2.gz PIWNMTTXNTVUQY-MRXNPFEDSA-N 1 1 275.392 3.293 20 30 CGEDMO C#Cc1ccc(C[N@H+](CCC)CCN2CCCCC2)cc1 ZINC001474515243 937864601 /nfs/dbraw/zinc/86/46/01/937864601.db2.gz QSVKYJFKQOCPJF-UHFFFAOYSA-N 1 1 284.447 3.366 20 30 CGEDMO C#Cc1ccc(C[N@@H+](CCC)CCN2CCCCC2)cc1 ZINC001474515243 937864603 /nfs/dbraw/zinc/86/46/03/937864603.db2.gz QSVKYJFKQOCPJF-UHFFFAOYSA-N 1 1 284.447 3.366 20 30 CGEDMO CC[C@@H](C)[C@@H](C[N@@H+](C)CCc1cccc(C#N)c1)OC ZINC001474674046 937874574 /nfs/dbraw/zinc/87/45/74/937874574.db2.gz BQFCIUWKHCOSIV-RHSMWYFYSA-N 1 1 274.408 3.094 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1c(CC)nn(C)c1CC ZINC001474738814 937878040 /nfs/dbraw/zinc/87/80/40/937878040.db2.gz AMTHHFNEARPKJJ-UHFFFAOYSA-N 1 1 263.429 3.333 20 30 CGEDMO C[C@H]([NH2+]Cc1cccc(C#N)n1)c1cc(F)ccc1N(C)C ZINC001474760097 937879726 /nfs/dbraw/zinc/87/97/26/937879726.db2.gz GNTPOICDVAYBAO-LBPRGKRZSA-N 1 1 298.365 3.009 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C1(C)CC=CC1 ZINC001479241953 937918159 /nfs/dbraw/zinc/91/81/59/937918159.db2.gz GZFKCOJBKUTADZ-HZPDHXFCSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)CCCC)C[C@@H]2C1 ZINC001479665710 937923646 /nfs/dbraw/zinc/92/36/46/937923646.db2.gz CSKDQNZTNMUVLQ-BBWFWOEESA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CC(C)(C)C1CC1 ZINC001479734246 937924583 /nfs/dbraw/zinc/92/45/83/937924583.db2.gz LAEIXJGVNLJLOC-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@H+](CC)[C@@H]2C)CCCCC1 ZINC001479728955 937924679 /nfs/dbraw/zinc/92/46/79/937924679.db2.gz CLWWFCXKAIQNIH-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[N@H+](CCC)CC(C)(C)C1 ZINC001479745327 937925387 /nfs/dbraw/zinc/92/53/87/937925387.db2.gz LQRRQOBOSZCGFS-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](CCC)CC(C)(C)C1 ZINC001479745325 937925398 /nfs/dbraw/zinc/92/53/98/937925398.db2.gz LQRRQOBOSZCGFS-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)CCCNC(=O)C1(CC)CCC1 ZINC001479851934 937927571 /nfs/dbraw/zinc/92/75/71/937927571.db2.gz QXGLPAUIKKNMDN-UHFFFAOYSA-N 1 1 286.847 3.147 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)CCCCCC)C1 ZINC001479968122 937929969 /nfs/dbraw/zinc/92/99/69/937929969.db2.gz CUPMSEDMEQVVMP-IRXDYDNUSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC001479962606 937930259 /nfs/dbraw/zinc/93/02/59/937930259.db2.gz UCYMQBZISBSKJY-GOEBONIOSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)CCC ZINC001480097546 937932054 /nfs/dbraw/zinc/93/20/54/937932054.db2.gz FZBBMRQFWPTJBU-IYBDPMFKSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C(C)C)C1 ZINC001480253258 937935030 /nfs/dbraw/zinc/93/50/30/937935030.db2.gz HLDJSUXLQWBQLO-MRXNPFEDSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1CCCC[N@@H+]1C/C=C\Cl ZINC001480325403 937936142 /nfs/dbraw/zinc/93/61/42/937936142.db2.gz LPLZOIBAKHWHEV-YHAOYDPOSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1CCCC[N@H+]1C/C=C\Cl ZINC001480325403 937936144 /nfs/dbraw/zinc/93/61/44/937936144.db2.gz LPLZOIBAKHWHEV-YHAOYDPOSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H]2CCCC[N@@H+]2CC[C@H](C)F)C1 ZINC001480326751 937936498 /nfs/dbraw/zinc/93/64/98/937936498.db2.gz YRLFHYUFVQHGGA-GJZGRUSLSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C=C2CCCCC2)C1 ZINC001480375472 937937765 /nfs/dbraw/zinc/93/77/65/937937765.db2.gz IEPWDPHUDZQPAJ-NVXWUHKLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC1(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C(C)C)C2)CCC1 ZINC001480385545 937938022 /nfs/dbraw/zinc/93/80/22/937938022.db2.gz ZVCGGEQWHKEZBJ-HZPDHXFCSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)C(C)(C)CC=C ZINC001480830085 937945505 /nfs/dbraw/zinc/94/55/05/937945505.db2.gz SHMKKCIYYAUDAO-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CC)CCNC(=O)c1occc1Cl ZINC001493015472 937945868 /nfs/dbraw/zinc/94/58/68/937945868.db2.gz XOYCBOGCWZHFEY-GFCCVEGCSA-N 1 1 298.814 3.339 20 30 CGEDMO CC#CC[N@@H+](CC)CCNC(=O)[C@H](C)CC1CCCCC1 ZINC001493051677 937946685 /nfs/dbraw/zinc/94/66/85/937946685.db2.gz XMYAUAMELWZIIK-MRXNPFEDSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001493029909 937946864 /nfs/dbraw/zinc/94/68/64/937946864.db2.gz YCFDXTUVTLIVPW-YJBOKZPZSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1CC[N@H+](CC2CC(C)C2)C1 ZINC001493205310 937948460 /nfs/dbraw/zinc/94/84/60/937948460.db2.gz DTUFSUHSVHXFRL-PCKAHOCUSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(Cl)C[N@H+](CCC)CCNC(=O)C(C)(C)C1CC1 ZINC001493309739 937949671 /nfs/dbraw/zinc/94/96/71/937949671.db2.gz WOHYWEHOQVUMEW-UHFFFAOYSA-N 1 1 286.847 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+](CCC)CCNC(=O)C(C)(C)C1CC1 ZINC001493309739 937949672 /nfs/dbraw/zinc/94/96/72/937949672.db2.gz WOHYWEHOQVUMEW-UHFFFAOYSA-N 1 1 286.847 3.003 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](CCNC(=O)/C=C(\C)C2CC2)C1 ZINC001493996573 937952897 /nfs/dbraw/zinc/95/28/97/937952897.db2.gz XKGOQXSFSJKBME-MDJJKAFGSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@@H]2C(C)C)CC1 ZINC001494211002 937953900 /nfs/dbraw/zinc/95/39/00/937953900.db2.gz ZMKUAERVXGWZKV-IAGOWNOFSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CCC[N@H+](C[C@@H](C)CC)C1 ZINC001494322708 937954210 /nfs/dbraw/zinc/95/42/10/937954210.db2.gz KEFUDMVGVSCGSI-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)[C@H](C)C(C)(F)F)C1 ZINC001494452037 937955016 /nfs/dbraw/zinc/95/50/16/937955016.db2.gz FGTPLTGWAHCRET-LBPRGKRZSA-N 1 1 290.398 3.049 20 30 CGEDMO C=CC1(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC)CCCCC1 ZINC001494679884 937955771 /nfs/dbraw/zinc/95/57/71/937955771.db2.gz XBXXZORVECSFGC-HOTGVXAUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)CCCC2CCCC2)C1 ZINC001494922536 937957389 /nfs/dbraw/zinc/95/73/89/937957389.db2.gz AJPXWGDDLOVNHK-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO CC#CCCCC(=O)N(C)CC[N@@H+](C)CC1CC(C)(C)C1 ZINC001496764695 937963957 /nfs/dbraw/zinc/96/39/57/937963957.db2.gz SSNMUZYRONQIQP-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)C1(C)C(C)(C)C1(C)C ZINC001498470293 937969758 /nfs/dbraw/zinc/96/97/58/937969758.db2.gz PEXWNAXHYTZZTR-AWEZNQCLSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC1(C(=O)N[C@@H](C)C[N@H+](C)C[C@@H](F)CC)CCCC1 ZINC001498468621 937969942 /nfs/dbraw/zinc/96/99/42/937969942.db2.gz DMRUKDCPZNKYEV-GJZGRUSLSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CC[N@@H+]1[C@@H](C)c1ccccc1C ZINC001498944693 937971321 /nfs/dbraw/zinc/97/13/21/937971321.db2.gz QBUSPMDOHSVTGI-HOTGVXAUSA-N 1 1 286.419 3.213 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)C1(CCCC)CC1 ZINC001499058819 937972214 /nfs/dbraw/zinc/97/22/14/937972214.db2.gz XGEXXFSADJCZRS-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)C1(CC)CCCC1 ZINC001499093776 937972387 /nfs/dbraw/zinc/97/23/87/937972387.db2.gz RPMYTBGJKOVOGZ-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CCC(=O)N1CCCC[C@H]1[C@@H]1CC[N@H+](CC)C1 ZINC001499481085 937973525 /nfs/dbraw/zinc/97/35/25/937973525.db2.gz LYRYFFGIOKMDCU-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)CCCCC)C2)C1 ZINC001499564018 937973856 /nfs/dbraw/zinc/97/38/56/937973856.db2.gz OCNQQSQWOOPCMO-SFHVURJKSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)C=C(CC)CC)C2)C1 ZINC001499599385 937974085 /nfs/dbraw/zinc/97/40/85/937974085.db2.gz OPMFRDVDPPDCBF-SFHVURJKSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@]2(C1)CCC[N@H+](C(C)C)C2 ZINC001499570577 937974100 /nfs/dbraw/zinc/97/41/00/937974100.db2.gz QSJYQJXQPKWLOL-QGZVFWFLSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C/C(C)=C\CC(=O)NC1(C)CC[NH+](CC(=C)Cl)CC1 ZINC001499992443 937975498 /nfs/dbraw/zinc/97/54/98/937975498.db2.gz SCLVZQBBJVJZHE-MLPAPPSSSA-N 1 1 296.842 3.232 20 30 CGEDMO C=CCCC(=O)N[C@@]1(C)CC[N@H+](CC/C=C\CCC)C1 ZINC001500192211 937976255 /nfs/dbraw/zinc/97/62/55/937976255.db2.gz ZTWICBJCQWINJZ-JJEJIETFSA-N 1 1 278.440 3.280 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@](C)(NC(=O)C(C)C)C1 ZINC001500183250 937976420 /nfs/dbraw/zinc/97/64/20/937976420.db2.gz PTGAQIFEJUJQSF-INIZCTEOSA-N 1 1 268.445 3.193 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)C[C@@H]2C=CCC2)C1 ZINC001500475864 937977513 /nfs/dbraw/zinc/97/75/13/937977513.db2.gz XDHFEVSEOCTTQX-AEFFLSMTSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC1(C)C ZINC001501382764 937979489 /nfs/dbraw/zinc/97/94/89/937979489.db2.gz QJOBRDNWISRAFQ-HRCADAONSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCCC[N@H+](C)CCCN(C)C(=O)c1ccsc1 ZINC001502158343 937981744 /nfs/dbraw/zinc/98/17/44/937981744.db2.gz OKHDEPCHCHLOQZ-UHFFFAOYSA-N 1 1 280.437 3.108 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC001502135074 937981755 /nfs/dbraw/zinc/98/17/55/937981755.db2.gz GSXIAVVLXXSFAP-WMZOPIPTSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)CCCC)C(C)(C)C1 ZINC001502818151 937983509 /nfs/dbraw/zinc/98/35/09/937983509.db2.gz REVPXFPFYJBDKZ-CVEARBPZSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2coc(C)c2)C[C@H]1C ZINC001502910384 937983600 /nfs/dbraw/zinc/98/36/00/937983600.db2.gz LQIZURHQJLZELV-CZUORRHYSA-N 1 1 290.407 3.137 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)CCCCC(C)C)C[C@H]1C ZINC001503003933 937984070 /nfs/dbraw/zinc/98/40/70/937984070.db2.gz URVKWZUQYXDARX-IAGOWNOFSA-N 1 1 292.467 3.195 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccccc1 ZINC001505418189 937985175 /nfs/dbraw/zinc/98/51/75/937985175.db2.gz SXNDREDFGYMLBW-KRWDZBQOSA-N 1 1 286.419 3.189 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@H]1C[N@H+](C)CC(C)C ZINC001505446860 937985414 /nfs/dbraw/zinc/98/54/14/937985414.db2.gz UEPTUANSLJZEKR-HNNXBMFYSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1C[N@H+](C)CCCC ZINC001505445228 937985461 /nfs/dbraw/zinc/98/54/61/937985461.db2.gz QRQJJBCWSJIEQG-WBVHZDCISA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@H]1C[N@@H+](C)CCC1CC1 ZINC001505446878 937985616 /nfs/dbraw/zinc/98/56/16/937985616.db2.gz UNRDBDYIQUMYQP-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C)C(C)(C)C ZINC001505435876 937985653 /nfs/dbraw/zinc/98/56/53/937985653.db2.gz QCJIHOXFNOPONV-HUUCEWRRSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)C[C@@H](C)CC(C)(C)C ZINC001506007277 937988626 /nfs/dbraw/zinc/98/86/26/937988626.db2.gz AJBYDDOEGABTQH-CABCVRRESA-N 1 1 282.472 3.461 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](CC2CCC2)CC1(C)C ZINC001506740939 937991525 /nfs/dbraw/zinc/99/15/25/937991525.db2.gz YNSGRRQKJDURKJ-OAHLLOKOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)CCCC)C(C)(C)C1 ZINC001506737601 937991561 /nfs/dbraw/zinc/99/15/61/937991561.db2.gz FDHLJKDNVRDUGT-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@](C)(CC)CCC)[C@@H]2C1 ZINC001506823075 937991846 /nfs/dbraw/zinc/99/18/46/937991846.db2.gz YPRLRDMRQUBOMN-XLMAVXFVSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H](C)CC)CCC[C@H]12 ZINC001507333115 937995016 /nfs/dbraw/zinc/99/50/16/937995016.db2.gz BOHIJDIHEVBIEJ-YQQAZPJKSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C2(CC)CCC2)[C@H]1C ZINC001507381034 937995532 /nfs/dbraw/zinc/99/55/32/937995532.db2.gz HWUCPHQJNQTZMD-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C2(CCC)CC2)[C@H]1C ZINC001507387988 937995803 /nfs/dbraw/zinc/99/58/03/937995803.db2.gz ZYLXPPSQEJCJQH-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)C(CC)(CC)CC)[C@@H]1C ZINC001507383278 937995917 /nfs/dbraw/zinc/99/59/17/937995917.db2.gz TUKIANIBRSQRSD-JKSUJKDBSA-N 1 1 292.467 3.195 20 30 CGEDMO CCC(CC)C[N@@H+](C)CCN(C(=O)C#CC1CC1)C(C)C ZINC001507788871 937996799 /nfs/dbraw/zinc/99/67/99/937996799.db2.gz XCZOMROCLLNWHV-UHFFFAOYSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C(=O)[C@H]1CC1(C)C)C(C)C ZINC001507783063 937996913 /nfs/dbraw/zinc/99/69/13/937996913.db2.gz CMHQCBQNDHGLPC-OAHLLOKOSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)CCc1cccs1)C(C)C ZINC001507863506 937997135 /nfs/dbraw/zinc/99/71/35/937997135.db2.gz VAPYPLRTGQWJDF-UHFFFAOYSA-N 1 1 294.464 3.036 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC2(C)C)CC1 ZINC001508211369 937998757 /nfs/dbraw/zinc/99/87/57/937998757.db2.gz DWZVYEIEHULPON-MRXNPFEDSA-N 1 1 290.451 3.137 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001559519255 938228184 /nfs/dbraw/zinc/22/81/84/938228184.db2.gz XKKGLIGOGXFQQF-HUUCEWRRSA-N 1 1 294.439 3.025 20 30 CGEDMO C=CC[C@H](C(=O)OC)[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC001559548844 938229247 /nfs/dbraw/zinc/22/92/47/938229247.db2.gz YZNNPANRBIDIGZ-IVMMDQJWSA-N 1 1 291.366 3.121 20 30 CGEDMO C#CCC[N@H+](CCC)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC001559550878 938229334 /nfs/dbraw/zinc/22/93/34/938229334.db2.gz TZQVQYFSWGPXIX-CVEARBPZSA-N 1 1 263.425 3.460 20 30 CGEDMO COCC#CC[N@H+]1CCC[C@H]1CCCc1ccccc1 ZINC001559650424 938231896 /nfs/dbraw/zinc/23/18/96/938231896.db2.gz DTRNMZHRJSXSDW-GOSISDBHSA-N 1 1 271.404 3.124 20 30 CGEDMO C[C@@]1(C#N)CCC[N@H+](C[C@H]2CC3(CO2)CCCCC3)C1 ZINC001559671327 938232523 /nfs/dbraw/zinc/23/25/23/938232523.db2.gz LYBFFGBDDZYTCS-CVEARBPZSA-N 1 1 276.424 3.351 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](C[C@H]2CC3(CO2)CCCCC3)C1 ZINC001559671327 938232524 /nfs/dbraw/zinc/23/25/24/938232524.db2.gz LYBFFGBDDZYTCS-CVEARBPZSA-N 1 1 276.424 3.351 20 30 CGEDMO C#CC[C@H]([NH2+]Cc1cccc(F)n1)c1ccccc1 ZINC001559702577 938233160 /nfs/dbraw/zinc/23/31/60/938233160.db2.gz VXOMWHNTUQOUCC-HNNXBMFYSA-N 1 1 254.308 3.075 20 30 CGEDMO C#CCOCC[N@@H+](C)Cc1cc(Cl)cc(Cl)c1F ZINC001559720204 938233704 /nfs/dbraw/zinc/23/37/04/938233704.db2.gz VCYCWOGIYSEVDE-UHFFFAOYSA-N 1 1 290.165 3.214 20 30 CGEDMO C#CCOCC[N@H+](C)Cc1cc(Cl)cc(Cl)c1F ZINC001559720204 938233705 /nfs/dbraw/zinc/23/37/05/938233705.db2.gz VCYCWOGIYSEVDE-UHFFFAOYSA-N 1 1 290.165 3.214 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](CC(=O)N(C)[C@@H](C)CC(C)C)C1 ZINC001559983706 938240936 /nfs/dbraw/zinc/24/09/36/938240936.db2.gz ZHUZAAUUARZFBZ-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO CCCCCCC[N@H+]1CCOC[C@@H]1CC1CCOCC1 ZINC001560204019 938247114 /nfs/dbraw/zinc/24/71/14/938247114.db2.gz VJXIBXPHCLPSAV-KRWDZBQOSA-N 1 1 283.456 3.474 20 30 CGEDMO C=CCCC[N@H+](CC)C[C@H](O)c1ccc(F)cc1C ZINC001560204621 938247157 /nfs/dbraw/zinc/24/71/57/938247157.db2.gz SIPYMFRDGPQLLC-INIZCTEOSA-N 1 1 265.372 3.456 20 30 CGEDMO CC(C)[C@H]1C[C@@H](N2CCCC2)C[N@H+]1CCC(C)(C)C#N ZINC001560216863 938247458 /nfs/dbraw/zinc/24/74/58/938247458.db2.gz CFMWRIZMFSNISY-HZPDHXFCSA-N 1 1 277.456 3.121 20 30 CGEDMO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1CCC(C)(C)C#N ZINC001560216863 938247459 /nfs/dbraw/zinc/24/74/59/938247459.db2.gz CFMWRIZMFSNISY-HZPDHXFCSA-N 1 1 277.456 3.121 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2N(C)C)C1 ZINC001560900739 938283003 /nfs/dbraw/zinc/28/30/03/938283003.db2.gz HIRAIAVVVZGEAC-CYBMUJFWSA-N 1 1 292.373 3.266 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC001560906480 938283107 /nfs/dbraw/zinc/28/31/07/938283107.db2.gz KYYLIAREENTFCT-RYWCDNDXSA-N 1 1 261.315 3.323 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cn3cc(C)ccc3n2)C1 ZINC001560923754 938284409 /nfs/dbraw/zinc/28/44/09/938284409.db2.gz LXFXDUYESDSIDI-OAHLLOKOSA-N 1 1 269.392 3.431 20 30 CGEDMO C=CCCn1cc(C[N@H+]2CCC[C@@H](C3CCCC3)C2)nn1 ZINC001561048998 938291483 /nfs/dbraw/zinc/29/14/83/938291483.db2.gz JZWTUTAVFNHSSQ-MRXNPFEDSA-N 1 1 288.439 3.256 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)/C=C(/C)CC)CC1 ZINC001486506848 957832075 /nfs/dbraw/zinc/83/20/75/957832075.db2.gz QKZKMYXJSMYTIV-KGAUPUERSA-N 1 1 290.451 3.446 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N(C)[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC001494849249 957875323 /nfs/dbraw/zinc/87/53/23/957875323.db2.gz XOIAYARDTZGZJA-DOTOQJQBSA-N 1 1 280.456 3.168 20 30 CGEDMO C[C@H]([NH2+]Cc1cccc(C#N)n1)c1ccc(F)cc1F ZINC001308821694 958798486 /nfs/dbraw/zinc/79/84/86/958798486.db2.gz ZHVKBXPKSIOVQD-JTQLQIEISA-N 1 1 273.286 3.082 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H]2CC[C@@H](NC(C)=O)C[C@H]2C1 ZINC001571011215 960456823 /nfs/dbraw/zinc/45/68/23/960456823.db2.gz XOWSNNQXCHLLTL-YESZJQIVSA-N 1 1 280.456 3.193 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)/C(C)=C\CC ZINC001570525942 960462736 /nfs/dbraw/zinc/46/27/36/960462736.db2.gz LALPDUXCDPUUTP-YRBHFNIASA-N 1 1 284.831 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)/C(C)=C\CC ZINC001570525942 960462745 /nfs/dbraw/zinc/46/27/45/960462745.db2.gz LALPDUXCDPUUTP-YRBHFNIASA-N 1 1 284.831 3.018 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C/C=C(/C)C=C)[C@H]1C ZINC001566101176 960551040 /nfs/dbraw/zinc/55/10/40/960551040.db2.gz WDKBECUDPFITPO-BRAFPAACSA-N 1 1 276.424 3.054 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)C[C@H]1CCCC[C@H]1C ZINC001567322054 960589608 /nfs/dbraw/zinc/58/96/08/960589608.db2.gz PLYQBKDCNFJGQE-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(Cl)C[N@H+](CCC)CCNC(=O)[C@@H]1CC[C@H](C)C1 ZINC001567434553 960592231 /nfs/dbraw/zinc/59/22/31/960592231.db2.gz FUPTVVZIMLRWGP-GXTWGEPZSA-N 1 1 286.847 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+](CCC)CCNC(=O)[C@@H]1CC[C@H](C)C1 ZINC001567434553 960592247 /nfs/dbraw/zinc/59/22/47/960592247.db2.gz FUPTVVZIMLRWGP-GXTWGEPZSA-N 1 1 286.847 3.003 20 30 CGEDMO C=CCCCCCCNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC001564727072 960679480 /nfs/dbraw/zinc/67/94/80/960679480.db2.gz LLEKCVUVXGKMOP-OAHLLOKOSA-N 1 1 295.471 3.295 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC001565183484 960744475 /nfs/dbraw/zinc/74/44/75/960744475.db2.gz DKXJIHSFUJBFNR-UHFFFAOYSA-N 1 1 295.471 3.105 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[N@H+](CC(=C)Cl)[C@@H]1CC ZINC001566014011 960867555 /nfs/dbraw/zinc/86/75/55/960867555.db2.gz SXFGLXUQXXQNRW-UONOGXRCSA-N 1 1 298.858 3.310 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[N@@H+](CC(=C)Cl)[C@@H]1CC ZINC001566014011 960867572 /nfs/dbraw/zinc/86/75/72/960867572.db2.gz SXFGLXUQXXQNRW-UONOGXRCSA-N 1 1 298.858 3.310 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@@H+](CCC(C)C)[C@@H]1C ZINC001566102190 960883429 /nfs/dbraw/zinc/88/34/29/960883429.db2.gz MTWHZDDWTDLMBA-HLLBOEOZSA-N 1 1 280.456 3.214 20 30 CGEDMO C#CCCCCCC(=O)N[C@H]1CC[N@H+](C[C@@H](C)CC)[C@@H]1C ZINC001566100027 960884738 /nfs/dbraw/zinc/88/47/38/960884738.db2.gz WKGAOMFEMGNVRQ-BBWFWOEESA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)C1(F)CCCCC1 ZINC001566505348 960944839 /nfs/dbraw/zinc/94/48/39/960944839.db2.gz GGPRVIRBVVOUFR-HNNXBMFYSA-N 1 1 298.446 3.452 20 30 CGEDMO C=CCC[N@@H+](CC)CCCNC(=O)[C@@H](C)C(C)(C)C ZINC001566555147 960953766 /nfs/dbraw/zinc/95/37/66/960953766.db2.gz QYFJEYSCQNRNKX-CQSZACIVSA-N 1 1 268.445 3.073 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccc(C=C)cc2)C1 ZINC001566674313 960988906 /nfs/dbraw/zinc/98/89/06/960988906.db2.gz LWLUNDPDMBBWRL-CRAIPNDOSA-N 1 1 298.430 3.488 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H](C[N@H+](C)C[C@H](C)CC)C1 ZINC001566736408 960996876 /nfs/dbraw/zinc/99/68/76/960996876.db2.gz PUYDSBSGJYGDKG-HZPDHXFCSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)CC(C)(C)C=C)C1 ZINC001567192500 961133456 /nfs/dbraw/zinc/13/34/56/961133456.db2.gz ASZJNDNTJITXPP-MRXNPFEDSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001567185850 961135029 /nfs/dbraw/zinc/13/50/29/961135029.db2.gz ASZHVHOVMSAZST-QGZVFWFLSA-N 1 1 286.419 3.189 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1CCCNC(=O)CC1CCCC1 ZINC001567244133 961157020 /nfs/dbraw/zinc/15/70/20/961157020.db2.gz UAFJYFRDSWHOEE-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC(C)(C)CC(=O)NCC[N@H+](CC)CC1CC(C)C1 ZINC001567333970 961294601 /nfs/dbraw/zinc/29/46/01/961294601.db2.gz OLHHTKPYYCNQHN-UHFFFAOYSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](CNC(=O)C2(CC)CCCCC2)C1 ZINC001567420053 961319299 /nfs/dbraw/zinc/31/92/99/961319299.db2.gz ZWSLFAAUTKWDRM-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(CC)CC ZINC001567391549 961321313 /nfs/dbraw/zinc/32/13/13/961321313.db2.gz RDOOFBKSUNBKQF-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)C(CC)CC)C1 ZINC001567404623 961326471 /nfs/dbraw/zinc/32/64/71/961326471.db2.gz AXKSCZQJVRFRTD-JKSUJKDBSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)C1(CC)CCCCC1 ZINC001567432825 961342858 /nfs/dbraw/zinc/34/28/58/961342858.db2.gz LYQCGDMEMPCLJH-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C=CCCC[N@H+](CCNC(=O)c1cc(C)c(C)o1)C1CC1 ZINC001567439851 961345729 /nfs/dbraw/zinc/34/57/29/961345729.db2.gz JJYKPSAKOYCCEE-UHFFFAOYSA-N 1 1 290.407 3.057 20 30 CGEDMO C=C(C)CC[N@@H+](CCNC(=O)C(C)(C)C(=C)C)C1CC1 ZINC001567447010 961346837 /nfs/dbraw/zinc/34/68/37/961346837.db2.gz MXVGTXNTJTUSQE-UHFFFAOYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)[C@]1(C)CC=C(C)CC1)C1CC1 ZINC001567455613 961348628 /nfs/dbraw/zinc/34/86/28/961348628.db2.gz DMFUWBXFFDWXDA-GOSISDBHSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)[C@@H](C)C1CCCC1)C(C)C ZINC001567651210 961383094 /nfs/dbraw/zinc/38/30/94/961383094.db2.gz GNWKRYSNMOOCAW-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC(=O)N(CCC)[C@@H]1CC[N@@H+](C[C@@H](C)CC)C1 ZINC001567682321 961394595 /nfs/dbraw/zinc/39/45/95/961394595.db2.gz ZAJGEXLWXUKNOD-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)C(C)(C)C2CC2)C1 ZINC001567706469 961403156 /nfs/dbraw/zinc/40/31/56/961403156.db2.gz YKBQBHMASKKCCL-HNNXBMFYSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H](CCNC(=O)c2cccs2)C1 ZINC001567691206 961403217 /nfs/dbraw/zinc/40/32/17/961403217.db2.gz MFSWWWTVGRXVNY-AWEZNQCLSA-N 1 1 292.448 3.156 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@@H](C[N@H+](C)C[C@@H](C)CC)C1 ZINC001567737415 961414864 /nfs/dbraw/zinc/41/48/64/961414864.db2.gz AMHDYFDJZWEEGK-HOTGVXAUSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)CC=C)C1 ZINC001567738361 961418511 /nfs/dbraw/zinc/41/85/11/961418511.db2.gz OSBFXLBWHFEHEQ-INIZCTEOSA-N 1 1 292.467 3.335 20 30 CGEDMO C=CCCC(=O)NC1C[NH+]([C@H](C)c2ccc3c(c2)CCC3)C1 ZINC001567786957 961423301 /nfs/dbraw/zinc/42/33/01/961423301.db2.gz SFXPVVNCICLZJG-CQSZACIVSA-N 1 1 298.430 3.003 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CCC[N@@H+](CCC2=CCCCC2)C1 ZINC001567760225 961426201 /nfs/dbraw/zinc/42/62/01/961426201.db2.gz DOKFQYDWTBQMIZ-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCCC(C)C ZINC001567862090 961448380 /nfs/dbraw/zinc/44/83/80/961448380.db2.gz HQZZYLGHXMSGFE-HOTGVXAUSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2Cc2ccccc2)C1 ZINC001568509372 961610171 /nfs/dbraw/zinc/61/01/71/961610171.db2.gz SHDJEGYHCNTZRK-ROUUACIJSA-N 1 1 298.430 3.076 20 30 CGEDMO C#CC[N@H+](C)C[C@H](C)NC(=O)[C@@H](CCC)CC1CCCC1 ZINC001569141492 961695971 /nfs/dbraw/zinc/69/59/71/961695971.db2.gz RKABADPKGZCCLF-RDJZCZTQSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)c1cc2occc2s1 ZINC001569138832 961700526 /nfs/dbraw/zinc/70/05/26/961700526.db2.gz WXRZZAWFPFCIHF-LLVKDONJSA-N 1 1 292.404 3.121 20 30 CGEDMO C=CC[N@H+](C)C[C@@H](C)NC(=O)c1cc2sccc2s1 ZINC001569125187 961701237 /nfs/dbraw/zinc/70/12/37/961701237.db2.gz RQTMOZSQOQSBGC-SNVBAGLBSA-N 1 1 294.445 3.199 20 30 CGEDMO C=CC[N@H+](C)C[C@H](C)NC(=O)c1cc2sccc2s1 ZINC001569125186 961704237 /nfs/dbraw/zinc/70/42/37/961704237.db2.gz RQTMOZSQOQSBGC-JTQLQIEISA-N 1 1 294.445 3.199 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@H]1CC[N@@H+]1CCCC(C)C ZINC001569359753 961745421 /nfs/dbraw/zinc/74/54/21/961745421.db2.gz LPOYAQFUTRZHTI-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(CC)s1 ZINC001569364777 961756852 /nfs/dbraw/zinc/75/68/52/961756852.db2.gz OWAULBAGRBZHDO-ZDUSSCGKSA-N 1 1 292.448 3.081 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@H]1[C@@H]1CC[N@H+](C(C)C)C1 ZINC001569437294 961767598 /nfs/dbraw/zinc/76/75/98/961767598.db2.gz SFTGZMGNJCTIIK-CVEARBPZSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCCC(=O)N1CC[C@@]2(CC[N@H+](CCCC=C)C2)C1 ZINC001569478161 961774529 /nfs/dbraw/zinc/77/45/29/961774529.db2.gz GDIQQBZBUNNTEG-GOSISDBHSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)CCCCCC)C2)C1 ZINC001569480821 961776337 /nfs/dbraw/zinc/77/63/37/961776337.db2.gz JCBIAVJAGMVFCG-KRWDZBQOSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@]1(C)CC[N@H+](C[C@H](C)CC)C1 ZINC001569638985 961806202 /nfs/dbraw/zinc/80/62/02/961806202.db2.gz KWXANCVOBMNRLK-RHSMWYFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C)C2CC2)C1 ZINC001569712445 961830707 /nfs/dbraw/zinc/83/07/07/961830707.db2.gz VWGLPCOWRMPZBP-YJBOKZPZSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)CCC)CC1 ZINC001570181413 961918111 /nfs/dbraw/zinc/91/81/11/961918111.db2.gz JAPNCMMEZXPWRG-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)c1oc(C)cc1C ZINC001570193521 961922673 /nfs/dbraw/zinc/92/26/73/961922673.db2.gz HWSYZWQPGHCGME-UHFFFAOYSA-N 1 1 292.423 3.257 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCN(C)C(=O)c1c[nH]cc1C ZINC001570217013 961935122 /nfs/dbraw/zinc/93/51/22/961935122.db2.gz UXEPDRJTODKOEU-HNNXBMFYSA-N 1 1 291.439 3.072 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCC)C2 ZINC001570271660 961939523 /nfs/dbraw/zinc/93/95/23/961939523.db2.gz LYZHLFZGSNKWGS-WMZOPIPTSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C=C(C)C)C2 ZINC001570271153 961941381 /nfs/dbraw/zinc/94/13/81/961941381.db2.gz BTTBCFJJIILLOU-GOSISDBHSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)CCC)C(C)(C)C1 ZINC001570391264 961963291 /nfs/dbraw/zinc/96/32/91/961963291.db2.gz IWHLYAISUGXFTQ-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CCCCCF)[C@H](C)C1 ZINC001570439997 961968880 /nfs/dbraw/zinc/96/88/80/961968880.db2.gz HBANPJPWIQHOHZ-HUUCEWRRSA-N 1 1 298.446 3.308 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)/C=C(/C)CC ZINC001570530236 961986832 /nfs/dbraw/zinc/98/68/32/961986832.db2.gz HCBLEJFYWCPPGY-IRVMHKCDSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]1C[N@@H+](C)CC=C(C)C ZINC001570540699 961991974 /nfs/dbraw/zinc/99/19/74/961991974.db2.gz RPKBXONPGJFYKK-WMZOPIPTSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](CC)CCC ZINC001570827310 962092878 /nfs/dbraw/zinc/09/28/78/962092878.db2.gz OJSZUERMHLARQJ-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](CC=C(C)C)CC1(C)C ZINC001570902173 962106188 /nfs/dbraw/zinc/10/61/88/962106188.db2.gz MUNPPMHLBBFAHY-HZPDHXFCSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)CC(C)=C(C)C)C(C)(C)C1 ZINC001570901749 962106360 /nfs/dbraw/zinc/10/63/60/962106360.db2.gz HACDSYWURYQMQO-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@H]1C[N@@H+](CCC2CC2)CC1(C)C ZINC001570902017 962107161 /nfs/dbraw/zinc/10/71/61/962107161.db2.gz KLKHOGOVSGDQOU-HOCLYGCPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)C[C@H](C)CC(C)C)C(C)(C)C1 ZINC001570907462 962109499 /nfs/dbraw/zinc/10/94/99/962109499.db2.gz HDWCLGVBTHSZHV-CVEARBPZSA-N 1 1 294.483 3.461 20 30 CGEDMO C#CC[N@@H+]1C[C@H](NC(=O)C[C@@H](C)CCCCC)C(C)(C)C1 ZINC001570905232 962110158 /nfs/dbraw/zinc/11/01/58/962110158.db2.gz PUHXFWQGQAKZPV-HOTGVXAUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)/C=C(\C)CC)CC1 ZINC001571330844 962135740 /nfs/dbraw/zinc/13/57/40/962135740.db2.gz YQKIFRUNOIHHFR-ZRDIBKRKSA-N 1 1 284.831 3.018 20 30 CGEDMO CC(C)CC[N@H+]1CCC[C@H](NC(=O)C#CC(C)(C)C)[C@@H]1C ZINC001571518969 962167857 /nfs/dbraw/zinc/16/78/57/962167857.db2.gz MPYIKSHLGWWXGP-HOTGVXAUSA-N 1 1 292.467 3.051 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C=C(CC)CC)[C@H]1C ZINC001571517244 962170765 /nfs/dbraw/zinc/17/07/65/962170765.db2.gz PTEKPPOJKZETHV-GDBMZVCRSA-N 1 1 278.440 3.278 20 30 CGEDMO CC#CC[N@H+](C)CCN(C(=O)C[C@H](C)CCC)C(C)C ZINC001571610078 962189547 /nfs/dbraw/zinc/18/95/47/962189547.db2.gz FDQVIPXKMZDRCO-MRXNPFEDSA-N 1 1 280.456 3.005 20 30 CGEDMO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C#N)CCC#N)cc1 ZINC000589839397 346814562 /nfs/dbraw/zinc/81/45/62/346814562.db2.gz CNTSASJVUCPIGW-ZIAGYGMSSA-N 1 1 271.364 3.179 20 30 CGEDMO C[C@@H]1CN(c2ccccc2F)CC[N@H+]1[C@@H]1CC[C@H](C#N)C1 ZINC000590176912 346834926 /nfs/dbraw/zinc/83/49/26/346834926.db2.gz KPWDNPSGCJNEMZ-QLFBSQMISA-N 1 1 287.382 3.028 20 30 CGEDMO CCC[N@@H+]1Cc2cccc(NC(=O)CC3(C#N)CC3)c2C1 ZINC000590211154 346836297 /nfs/dbraw/zinc/83/62/97/346836297.db2.gz LNXGLCQVVGUPQJ-UHFFFAOYSA-N 1 1 283.375 3.045 20 30 CGEDMO CCC[N@H+]1Cc2cccc(NC(=O)CC3(C#N)CC3)c2C1 ZINC000590211154 346836298 /nfs/dbraw/zinc/83/62/98/346836298.db2.gz LNXGLCQVVGUPQJ-UHFFFAOYSA-N 1 1 283.375 3.045 20 30 CGEDMO C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cc(C#N)ccc32)c2nccn21 ZINC000590778436 346875152 /nfs/dbraw/zinc/87/51/52/346875152.db2.gz FTIZJVOGTFFASQ-LYRGGWFBSA-N 1 1 278.359 3.038 20 30 CGEDMO CC(C)c1csc(C[NH2+]Cc2ccc(C#N)s2)n1 ZINC000125627397 187193777 /nfs/dbraw/zinc/19/37/77/187193777.db2.gz NRYPPDSFPLHMSV-UHFFFAOYSA-N 1 1 277.418 3.489 20 30 CGEDMO CCO[C@@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000591015012 346894214 /nfs/dbraw/zinc/89/42/14/346894214.db2.gz HYUZNZYPDXJUSB-OAHLLOKOSA-N 1 1 264.413 3.351 20 30 CGEDMO N#CC1(CCN2CCN(c3cc[nH+]cc3)CC2)CCCCC1 ZINC000591016704 346894472 /nfs/dbraw/zinc/89/44/72/346894472.db2.gz GJBQFZZORMPNCQ-UHFFFAOYSA-N 1 1 298.434 3.068 20 30 CGEDMO N#CC1(CC[N@H+]2CCC[C@H](c3cc[nH]n3)C2)CCCCC1 ZINC000591011592 346894543 /nfs/dbraw/zinc/89/45/43/346894543.db2.gz ZJIQBMHKGABARO-HNNXBMFYSA-N 1 1 286.423 3.453 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](C2CCC2)C1 ZINC000591063407 346897991 /nfs/dbraw/zinc/89/79/91/346897991.db2.gz XGLDQZMEMZWSLR-KRWDZBQOSA-N 1 1 254.377 3.489 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@H](C3CCC3)C2)c1F ZINC000591063067 346898086 /nfs/dbraw/zinc/89/80/86/346898086.db2.gz IENKPCCCUNTVQO-AWEZNQCLSA-N 1 1 258.340 3.319 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC000623262141 349773881 /nfs/dbraw/zinc/77/38/81/349773881.db2.gz PUBXISVXQTZSMP-CQSZACIVSA-N 1 1 272.392 3.210 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+]([C@H](C)[C@@H](C)CC)C1CC1 ZINC000591474405 346926148 /nfs/dbraw/zinc/92/61/48/346926148.db2.gz CEZZVAZSUOTIGK-LSDHHAIUSA-N 1 1 280.456 3.310 20 30 CGEDMO CN(C)c1cccc(C[N@H+](C)Cc2cccc(F)c2C#N)c1 ZINC000428376306 529789242 /nfs/dbraw/zinc/78/92/42/529789242.db2.gz VJBGTZKZDPUTNX-UHFFFAOYSA-N 1 1 297.377 3.395 20 30 CGEDMO CN(C)c1cccc(C[N@@H+](C)Cc2cccc(F)c2C#N)c1 ZINC000428376306 529789245 /nfs/dbraw/zinc/78/92/45/529789245.db2.gz VJBGTZKZDPUTNX-UHFFFAOYSA-N 1 1 297.377 3.395 20 30 CGEDMO C[N@H+](CCCc1ccccc1)Cc1ccncc1C#N ZINC000592060548 346958178 /nfs/dbraw/zinc/95/81/78/346958178.db2.gz UWXCMTKMSBBSIX-UHFFFAOYSA-N 1 1 265.360 3.018 20 30 CGEDMO C[N@@H+](CCCc1ccccc1)Cc1ccncc1C#N ZINC000592060548 346958179 /nfs/dbraw/zinc/95/81/79/346958179.db2.gz UWXCMTKMSBBSIX-UHFFFAOYSA-N 1 1 265.360 3.018 20 30 CGEDMO COc1ccc([C@@H]([NH2+]Cc2ccncc2C#N)C(C)C)cc1 ZINC000592095403 346962353 /nfs/dbraw/zinc/96/23/53/346962353.db2.gz VQLUHPOXHQYKQW-SFHVURJKSA-N 1 1 295.386 3.449 20 30 CGEDMO CC(C)([NH2+]Cc1ccncc1C#N)c1cccs1 ZINC000592102971 346963241 /nfs/dbraw/zinc/96/32/41/346963241.db2.gz DUKMNBPMTURJJG-UHFFFAOYSA-N 1 1 257.362 3.040 20 30 CGEDMO CC(C)(C)C1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000592068520 346958913 /nfs/dbraw/zinc/95/89/13/346958913.db2.gz AZZZLGRKWPGXCQ-UHFFFAOYSA-N 1 1 257.381 3.211 20 30 CGEDMO Cc1ccc(C[C@@H](C)[N@@H+](C)Cc2ccncc2C#N)cc1 ZINC000592072048 346960076 /nfs/dbraw/zinc/96/00/76/346960076.db2.gz GROARBFHEZTQLY-OAHLLOKOSA-N 1 1 279.387 3.325 20 30 CGEDMO COc1ccccc1C[C@H](C)[N@H+](C)Cc1ccncc1C#N ZINC000592072464 346960333 /nfs/dbraw/zinc/96/03/33/346960333.db2.gz MAPXDZSZWFDZFI-AWEZNQCLSA-N 1 1 295.386 3.025 20 30 CGEDMO COc1ccccc1C[C@H](C)[N@@H+](C)Cc1ccncc1C#N ZINC000592072464 346960334 /nfs/dbraw/zinc/96/03/34/346960334.db2.gz MAPXDZSZWFDZFI-AWEZNQCLSA-N 1 1 295.386 3.025 20 30 CGEDMO N#Cc1cnccc1C[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000592071023 346960450 /nfs/dbraw/zinc/96/04/50/346960450.db2.gz XQGYMCKJIOORDJ-KRWDZBQOSA-N 1 1 267.376 3.276 20 30 CGEDMO Cc1ccc(C[N@@H+](CCCSCC#N)CC2CC2)cn1 ZINC000592145110 346966978 /nfs/dbraw/zinc/96/69/78/346966978.db2.gz PPTUDKZVJRVGOG-UHFFFAOYSA-N 1 1 289.448 3.249 20 30 CGEDMO CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150783 346967015 /nfs/dbraw/zinc/96/70/15/346967015.db2.gz IYCHXTNFGNXROT-CABCVRRESA-N 1 1 278.783 3.142 20 30 CGEDMO Cc1cc(C)c([C@H](C)[N@H+]2CC[C@](O)(CC#N)C2)c(C)c1 ZINC000592151564 346967887 /nfs/dbraw/zinc/96/78/87/346967887.db2.gz NPFFZAZEYXPRAB-DOTOQJQBSA-N 1 1 272.392 3.023 20 30 CGEDMO C[C@@H]1CC2(C[N@H+]1Cc1ccc(CC#N)cc1)CCOCC2 ZINC000592182529 346969988 /nfs/dbraw/zinc/96/99/88/346969988.db2.gz CKBJNEBTNMRJOA-OAHLLOKOSA-N 1 1 284.403 3.144 20 30 CGEDMO CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592521815 346995430 /nfs/dbraw/zinc/99/54/30/346995430.db2.gz CHESCNQSPZSSPB-JKSUJKDBSA-N 1 1 264.413 3.109 20 30 CGEDMO C[C@H]1CC2(C[N@H+]1CC(C)(C)CCC#N)CCOCC2 ZINC000592529443 346997660 /nfs/dbraw/zinc/99/76/60/346997660.db2.gz ZOYLVLZOMJFYSP-AWEZNQCLSA-N 1 1 264.413 3.207 20 30 CGEDMO CCN(C[C@H]1CCC[N@H+]1C)[C@H](C)c1ccc(C#N)cc1 ZINC000592999970 347025643 /nfs/dbraw/zinc/02/56/43/347025643.db2.gz WTXCLCPQKOJXAN-RHSMWYFYSA-N 1 1 271.408 3.035 20 30 CGEDMO CC[N@H+](C[C@H]1CCCN1C)[C@H](C)c1ccc(C#N)cc1 ZINC000592999970 347025646 /nfs/dbraw/zinc/02/56/46/347025646.db2.gz WTXCLCPQKOJXAN-RHSMWYFYSA-N 1 1 271.408 3.035 20 30 CGEDMO CC[N@@H+](C[C@H]1CCCN1C)[C@H](C)c1ccc(C#N)cc1 ZINC000592999970 347025647 /nfs/dbraw/zinc/02/56/47/347025647.db2.gz WTXCLCPQKOJXAN-RHSMWYFYSA-N 1 1 271.408 3.035 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCSCC#N)CCc2ccc(F)cc21 ZINC000593116937 347041083 /nfs/dbraw/zinc/04/10/83/347041083.db2.gz MVMITTUXMNSNTA-CYBMUJFWSA-N 1 1 292.423 3.434 20 30 CGEDMO C=CC[N@H+](CCCc1cnn(C)c1)Cc1ccc(OC)cc1 ZINC000054337624 345132943 /nfs/dbraw/zinc/13/29/43/345132943.db2.gz AYKAKOZDFKGITO-UHFFFAOYSA-N 1 1 299.418 3.050 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)C[C@H](C)c1ccccc1 ZINC000066854154 345308748 /nfs/dbraw/zinc/30/87/48/345308748.db2.gz ZYQSWYRHNTYPMR-INIZCTEOSA-N 1 1 288.435 3.147 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000076149249 345535979 /nfs/dbraw/zinc/53/59/79/345535979.db2.gz ZSAJMYOZBIFSCW-OLZOCXBDSA-N 1 1 296.374 3.229 20 30 CGEDMO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000076494697 345544281 /nfs/dbraw/zinc/54/42/81/345544281.db2.gz ABLJYAKDYKZCKW-JSGCOSHPSA-N 1 1 259.378 3.329 20 30 CGEDMO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000076494697 345544282 /nfs/dbraw/zinc/54/42/82/345544282.db2.gz ABLJYAKDYKZCKW-JSGCOSHPSA-N 1 1 259.378 3.329 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)CCCSC)cc1 ZINC000075592175 345513717 /nfs/dbraw/zinc/51/37/17/345513717.db2.gz WJIJMOUQWFPSBV-UHFFFAOYSA-N 1 1 265.422 3.436 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)C[C@H](O)COc1ccccc1 ZINC000078357663 345603281 /nfs/dbraw/zinc/60/32/81/345603281.db2.gz SBJZUYNDCBASDE-SFHVURJKSA-N 1 1 297.398 3.115 20 30 CGEDMO CCC[N@@H+](C)C[C@H]1CCN(c2c(F)cc(C#N)cc2F)C1 ZINC000078562445 345612923 /nfs/dbraw/zinc/61/29/23/345612923.db2.gz PLLYQYPPUJEYOU-GFCCVEGCSA-N 1 1 293.361 3.005 20 30 CGEDMO CC[N@H+](CCC#N)Cc1ccc(F)c2cccnc12 ZINC000081039464 345696952 /nfs/dbraw/zinc/69/69/52/345696952.db2.gz DBCLHLCRXRZJIJ-UHFFFAOYSA-N 1 1 257.312 3.109 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1ccc(F)c2cccnc12 ZINC000081039464 345696954 /nfs/dbraw/zinc/69/69/54/345696954.db2.gz DBCLHLCRXRZJIJ-UHFFFAOYSA-N 1 1 257.312 3.109 20 30 CGEDMO CCC[N@H+]1CC[C@H](CNc2cc(C#N)c3ccccc3n2)C1 ZINC000091457558 345815318 /nfs/dbraw/zinc/81/53/18/345815318.db2.gz WRCFRQDVFVREBC-CQSZACIVSA-N 1 1 294.402 3.250 20 30 CGEDMO C[C@H]1C[N@H+](CCCOc2cccc(C#N)c2)CC[C@@H]1C ZINC000161844879 232251081 /nfs/dbraw/zinc/25/10/81/232251081.db2.gz ATLRKEMWZAFCOR-GJZGRUSLSA-N 1 1 272.392 3.305 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000092471246 345841234 /nfs/dbraw/zinc/84/12/34/345841234.db2.gz FPSVJQAXHQORIM-HNNXBMFYSA-N 1 1 294.402 3.306 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cnc(N(C)C)s1 ZINC000093498026 345881001 /nfs/dbraw/zinc/88/10/01/345881001.db2.gz GQZYROSKNDCFMD-UHFFFAOYSA-N 1 1 267.442 3.387 20 30 CGEDMO CC(C)C[N@@H+](Cc1ccnc(C#N)c1)C1CCCC1 ZINC000094848721 345898978 /nfs/dbraw/zinc/89/89/78/345898978.db2.gz GWHAQFHHFOAHFY-UHFFFAOYSA-N 1 1 257.381 3.354 20 30 CGEDMO COCC[N@H+](Cc1ccc(C#N)cc1)CC1CCCC1 ZINC000128295404 346039641 /nfs/dbraw/zinc/03/96/41/346039641.db2.gz DQYATIXGKGDFPB-UHFFFAOYSA-N 1 1 272.392 3.197 20 30 CGEDMO CCC[N@@H+](CCCC#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000171611360 346209179 /nfs/dbraw/zinc/20/91/79/346209179.db2.gz CLOZNYAXTJUJCV-AWEZNQCLSA-N 1 1 295.427 3.012 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@H]1C(=O)NCc1ccco1 ZINC000193346835 346269315 /nfs/dbraw/zinc/26/93/15/346269315.db2.gz SNMIVTFPOUBXDB-INIZCTEOSA-N 1 1 290.407 3.107 20 30 CGEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2cccc(C#N)n2)C1 ZINC000339217871 215018159 /nfs/dbraw/zinc/01/81/59/215018159.db2.gz LNPPMNFMYPODAS-WMLDXEAASA-N 1 1 292.386 3.201 20 30 CGEDMO C=C(Cl)C[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000303976125 346448730 /nfs/dbraw/zinc/44/87/30/346448730.db2.gz BXJONAAOXDOQKE-HNNXBMFYSA-N 1 1 283.774 3.324 20 30 CGEDMO C[C@H](C#N)C[N@H+](Cc1cccc2c1CCC2)C1CC1 ZINC000593582894 347092402 /nfs/dbraw/zinc/09/24/02/347092402.db2.gz DUYAXXUOLGFKRU-CYBMUJFWSA-N 1 1 254.377 3.299 20 30 CGEDMO C[C@H](C#N)C[N@@H+](Cc1cccc2c1CCC2)C1CC1 ZINC000593582894 347092404 /nfs/dbraw/zinc/09/24/04/347092404.db2.gz DUYAXXUOLGFKRU-CYBMUJFWSA-N 1 1 254.377 3.299 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCOc2cccc(C#N)c2)C(C)(C)C1 ZINC000380379251 346556447 /nfs/dbraw/zinc/55/64/47/346556447.db2.gz IQURNQFORUCBND-AWEZNQCLSA-N 1 1 272.392 3.448 20 30 CGEDMO N#Cc1ccc(F)c(C[NH+]2CCC3(CC3(F)F)CC2)c1 ZINC000404843148 346601437 /nfs/dbraw/zinc/60/14/37/346601437.db2.gz CKOCOXSQLUEJHU-UHFFFAOYSA-N 1 1 280.293 3.319 20 30 CGEDMO CCn1c(C[NH2+]Cc2ccc(C#N)s2)nc2ccccc21 ZINC000584811352 346715927 /nfs/dbraw/zinc/71/59/27/346715927.db2.gz SGFQQPGLPKYEPY-UHFFFAOYSA-N 1 1 296.399 3.279 20 30 CGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)CC(C)(C)C ZINC000588938841 346777409 /nfs/dbraw/zinc/77/74/09/346777409.db2.gz JTHFIBDCVVQIKY-MRXNPFEDSA-N 1 1 291.435 3.133 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCc2occc2C1 ZINC000588985771 346779757 /nfs/dbraw/zinc/77/97/57/346779757.db2.gz GFXLVBMYNMMYNE-UHFFFAOYSA-N 1 1 266.344 3.408 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000589272754 346792003 /nfs/dbraw/zinc/79/20/03/346792003.db2.gz URZSIRGRLYUPOC-SJORKVTESA-N 1 1 284.403 3.256 20 30 CGEDMO CCC[N@@H+](CC)C[C@H](C)Nc1ccc2cc(C#N)ccc2n1 ZINC000589608946 346802670 /nfs/dbraw/zinc/80/26/70/346802670.db2.gz VETDQCFXURTHLU-AWEZNQCLSA-N 1 1 296.418 3.061 20 30 CGEDMO C[C@H](CCC#N)[N@@H+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000594035302 347141070 /nfs/dbraw/zinc/14/10/70/347141070.db2.gz ODFRDYFYZPMKTK-SNVBAGLBSA-N 1 1 282.290 3.132 20 30 CGEDMO C[C@H]1C[N@@H+](CCCCC#N)CC2(CCCCC2)O1 ZINC000594057636 347146649 /nfs/dbraw/zinc/14/66/49/347146649.db2.gz JZSITQVYOBBJHQ-AWEZNQCLSA-N 1 1 250.386 3.104 20 30 CGEDMO N#Cc1cc(F)c(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c(F)c1 ZINC000594603423 347200864 /nfs/dbraw/zinc/20/08/64/347200864.db2.gz VDFHYSVTALZVEM-GJZGRUSLSA-N 1 1 291.345 3.265 20 30 CGEDMO C[C@@H]1C[C@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)c2nccn21 ZINC000594961678 347242248 /nfs/dbraw/zinc/24/22/48/347242248.db2.gz XZVISFLAMUXJQH-CJNGLKHVSA-N 1 1 292.386 3.234 20 30 CGEDMO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)c2nccn21 ZINC000594961680 347242363 /nfs/dbraw/zinc/24/23/63/347242363.db2.gz XZVISFLAMUXJQH-CZUORRHYSA-N 1 1 292.386 3.234 20 30 CGEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1COC(C)(C)C1 ZINC000595297767 347289071 /nfs/dbraw/zinc/28/90/71/347289071.db2.gz YDPQOUWOVXKBCP-OAHLLOKOSA-N 1 1 290.363 3.150 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000595327583 347291805 /nfs/dbraw/zinc/29/18/05/347291805.db2.gz PXODWQWLBXASAE-SJORKVTESA-N 1 1 254.377 3.365 20 30 CGEDMO CN(CC[C@@H]1CCCC[N@H+]1C)[C@H](C#N)c1ccccc1 ZINC000595327735 347292276 /nfs/dbraw/zinc/29/22/76/347292276.db2.gz RKEWBRHGTOGLTI-DLBZAZTESA-N 1 1 271.408 3.057 20 30 CGEDMO CSCC[C@H](C)[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595374286 347296716 /nfs/dbraw/zinc/29/67/16/347296716.db2.gz ZCSHREFOSQLFGR-ZDUSSCGKSA-N 1 1 262.422 3.174 20 30 CGEDMO N#C[C@H](c1ccccc1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000595388457 347297382 /nfs/dbraw/zinc/29/73/82/347297382.db2.gz WBYXBJZSDVGISK-NZSAHSFTSA-N 1 1 295.430 3.200 20 30 CGEDMO N#Cc1ccc(CC[N@@H+](Cc2ccccn2)C2CC2)cc1 ZINC000595412814 347299217 /nfs/dbraw/zinc/29/92/17/347299217.db2.gz SGIKXDDFWPGTNW-UHFFFAOYSA-N 1 1 277.371 3.160 20 30 CGEDMO C[C@H](N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(C#N)c(F)c1 ZINC000595056340 347271617 /nfs/dbraw/zinc/27/16/17/347271617.db2.gz FLMZGXMLXIPBGG-WFASDCNBSA-N 1 1 289.398 3.221 20 30 CGEDMO C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1ccc(C#N)c(F)c1 ZINC000595056340 347271620 /nfs/dbraw/zinc/27/16/20/347271620.db2.gz FLMZGXMLXIPBGG-WFASDCNBSA-N 1 1 289.398 3.221 20 30 CGEDMO C[C@@H](N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(C#N)c(F)c1 ZINC000595056337 347271924 /nfs/dbraw/zinc/27/19/24/347271924.db2.gz FLMZGXMLXIPBGG-DOMZBBRYSA-N 1 1 289.398 3.221 20 30 CGEDMO C[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1)c1ccc(C#N)c(F)c1 ZINC000595056337 347271928 /nfs/dbraw/zinc/27/19/28/347271928.db2.gz FLMZGXMLXIPBGG-DOMZBBRYSA-N 1 1 289.398 3.221 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000595611335 347326138 /nfs/dbraw/zinc/32/61/38/347326138.db2.gz JMXQHZLZRLEZBF-ZDUSSCGKSA-N 1 1 283.350 3.500 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595616370 347327319 /nfs/dbraw/zinc/32/73/19/347327319.db2.gz BIYWLZIZLWZWEZ-GUYCJALGSA-N 1 1 270.376 3.120 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](CCc2nsc3ccccc32)C1 ZINC000595618444 347328725 /nfs/dbraw/zinc/32/87/25/347328725.db2.gz YCYVWHQPGIBAHH-CYBMUJFWSA-N 1 1 285.416 3.464 20 30 CGEDMO CC(C)([NH2+]Cc1cc(C2CC2)no1)c1cccc(C#N)c1 ZINC000595632941 347330391 /nfs/dbraw/zinc/33/03/91/347330391.db2.gz LQXOBRPJPNOBCE-UHFFFAOYSA-N 1 1 281.359 3.449 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2ccsc2C(=O)OC)C1 ZINC000595659490 347334085 /nfs/dbraw/zinc/33/40/85/347334085.db2.gz NLGYDLGDKOOUMZ-LBPRGKRZSA-N 1 1 279.405 3.323 20 30 CGEDMO C[C@H](CO)[C@H]1CCCC[N@H+]1CCCCC(C)(C)C#N ZINC000595672005 347336084 /nfs/dbraw/zinc/33/60/84/347336084.db2.gz HEHDKKPTUHANOH-HUUCEWRRSA-N 1 1 266.429 3.189 20 30 CGEDMO C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)CC1=CCCOC1 ZINC000595748012 347349483 /nfs/dbraw/zinc/34/94/83/347349483.db2.gz SSSWMMBOSPGHEJ-UHFFFAOYSA-N 1 1 284.403 3.266 20 30 CGEDMO COc1ccc2c(c1)CC[N@H+](CCc1ccc(C#N)cc1)C2 ZINC000595760650 347352862 /nfs/dbraw/zinc/35/28/62/347352862.db2.gz TXYQMBHABQNYPB-UHFFFAOYSA-N 1 1 292.382 3.168 20 30 CGEDMO CO[C@H](C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1)C1CCC1 ZINC000595548617 347318269 /nfs/dbraw/zinc/31/82/69/347318269.db2.gz CQSIXLSXZYUCSL-SUMWQHHRSA-N 1 1 272.392 3.366 20 30 CGEDMO CC[C@@H](C)[N@@H+](CC)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000595592621 347322848 /nfs/dbraw/zinc/32/28/48/347322848.db2.gz HAUMSGRKPYIRSV-GFCCVEGCSA-N 1 1 284.363 3.229 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)s1 ZINC000595821771 347360776 /nfs/dbraw/zinc/36/07/76/347360776.db2.gz FSUXHEZRIFMGND-UHFFFAOYSA-N 1 1 288.416 3.011 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)s1 ZINC000595821771 347360777 /nfs/dbraw/zinc/36/07/77/347360777.db2.gz FSUXHEZRIFMGND-UHFFFAOYSA-N 1 1 288.416 3.011 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1cccc([N+](=O)[O-])c1 ZINC000595845666 347367325 /nfs/dbraw/zinc/36/73/25/347367325.db2.gz SRIZTWPIEVRCKM-OKILXGFUSA-N 1 1 288.347 3.157 20 30 CGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1[C@@H]2CC[C@H]1CC(C)C2 ZINC000595858509 347367948 /nfs/dbraw/zinc/36/79/48/347367948.db2.gz WPYGYWLMAQJYEB-IFWAZGHOSA-N 1 1 297.402 3.148 20 30 CGEDMO CCCCC[C@H]1CCCC[N@H+]1CCOCCC#N ZINC000595872942 347369339 /nfs/dbraw/zinc/36/93/39/347369339.db2.gz XHSYKRVEMCQZEU-HNNXBMFYSA-N 1 1 252.402 3.351 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CC1=CCSC1 ZINC000595888848 347370763 /nfs/dbraw/zinc/37/07/63/347370763.db2.gz PEHCVTHJMIFOGF-GFCCVEGCSA-N 1 1 258.390 3.224 20 30 CGEDMO N#Cc1cnccc1C[N@@H+]1CC2CC1(c1ccccc1)C2 ZINC000595907971 347371648 /nfs/dbraw/zinc/37/16/48/347371648.db2.gz LGKKZIOEFVRQFC-UHFFFAOYSA-N 1 1 275.355 3.074 20 30 CGEDMO N#Cc1cnccc1C[N@H+]1CC2CC1(c1ccccc1)C2 ZINC000595907971 347371652 /nfs/dbraw/zinc/37/16/52/347371652.db2.gz LGKKZIOEFVRQFC-UHFFFAOYSA-N 1 1 275.355 3.074 20 30 CGEDMO Cc1ccc(C#N)c(N[C@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000596480456 347465349 /nfs/dbraw/zinc/46/53/49/347465349.db2.gz ZOOIHBLKGSWMQR-HNNXBMFYSA-N 1 1 284.407 3.081 20 30 CGEDMO COCc1csc(C[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000597175695 347544218 /nfs/dbraw/zinc/54/42/18/347544218.db2.gz CYQPHAFUBDRQGD-LBPRGKRZSA-N 1 1 264.394 3.020 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000597175292 347544275 /nfs/dbraw/zinc/54/42/75/347544275.db2.gz XYOIJGZQVZXIOW-OAHLLOKOSA-N 1 1 270.376 3.377 20 30 CGEDMO CCn1c2ccccc2nc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000597174561 347544352 /nfs/dbraw/zinc/54/43/52/347544352.db2.gz QXNRQJXBODAIIX-CQSZACIVSA-N 1 1 282.391 3.182 20 30 CGEDMO CCn1c2ccccc2nc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000597174561 347544353 /nfs/dbraw/zinc/54/43/53/347544353.db2.gz QXNRQJXBODAIIX-CQSZACIVSA-N 1 1 282.391 3.182 20 30 CGEDMO COC[C@@H]1CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597015505 347527540 /nfs/dbraw/zinc/52/75/40/347527540.db2.gz JYQYCDHCKKLJBZ-MRXNPFEDSA-N 1 1 284.403 3.100 20 30 CGEDMO C[C@H](C#N)C[N@H+](Cc1cc2ccncc2s1)C1CC1 ZINC000597025606 347528326 /nfs/dbraw/zinc/52/83/26/347528326.db2.gz GRXIUAJJORUOGC-LLVKDONJSA-N 1 1 271.389 3.420 20 30 CGEDMO C[C@H](C#N)C[N@@H+](Cc1cc2ccncc2s1)C1CC1 ZINC000597025606 347528330 /nfs/dbraw/zinc/52/83/30/347528330.db2.gz GRXIUAJJORUOGC-LLVKDONJSA-N 1 1 271.389 3.420 20 30 CGEDMO Cc1ccc(-c2nn(C)cc2C[N@H+]2CCC[C@@H](CC#N)C2)o1 ZINC000597176552 347545314 /nfs/dbraw/zinc/54/53/14/347545314.db2.gz ILZSWQQKADRNJN-AWEZNQCLSA-N 1 1 298.390 3.114 20 30 CGEDMO CC(C)(C)[C@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000597114778 347536446 /nfs/dbraw/zinc/53/64/46/347536446.db2.gz ABZHSXHUYMIGBP-QGZVFWFLSA-N 1 1 298.430 3.489 20 30 CGEDMO CC[N@H+](Cc1ccc(C2(C#N)CC2)cc1)C[C@@H](C)OC ZINC000597128682 347538310 /nfs/dbraw/zinc/53/83/10/347538310.db2.gz CSZUWFKGJQWJLL-CQSZACIVSA-N 1 1 272.392 3.099 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CCC[C@H](CCF)C2)c1 ZINC000597210436 347554913 /nfs/dbraw/zinc/55/49/13/347554913.db2.gz HADWPJLFJUMRNB-LLVKDONJSA-N 1 1 252.358 3.191 20 30 CGEDMO C[N@H+]1CC[C@@H](Nc2ccc(CC#N)cc2)CC1(C)C ZINC000598956577 347700840 /nfs/dbraw/zinc/70/08/40/347700840.db2.gz HIUTVRBOKPYJOY-OAHLLOKOSA-N 1 1 257.381 3.037 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000598584962 347666141 /nfs/dbraw/zinc/66/61/41/347666141.db2.gz LCIHYZDGBBKWSF-HZPDHXFCSA-N 1 1 272.392 3.124 20 30 CGEDMO C[N@@H+](C[C@H](O)CC(C)(C)C#N)C1CCC(C)(C)CC1 ZINC000598592451 347667352 /nfs/dbraw/zinc/66/73/52/347667352.db2.gz IVICXXWGJCNKDT-CQSZACIVSA-N 1 1 266.429 3.188 20 30 CGEDMO CCC[C@@H]1[C@H](C)CCC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598597972 347669311 /nfs/dbraw/zinc/66/93/11/347669311.db2.gz LBDSHIYANUEAET-QLFBSQMISA-N 1 1 266.429 3.188 20 30 CGEDMO C[N@H+](Cc1ccc(Cl)c(F)c1)C[C@H](O)CC(C)(C)C#N ZINC000598598950 347669488 /nfs/dbraw/zinc/66/94/88/347669488.db2.gz KFYCCEUUHSQNPG-GFCCVEGCSA-N 1 1 298.789 3.212 20 30 CGEDMO CC[C@H]1Cc2ccccc2C[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598603910 347670533 /nfs/dbraw/zinc/67/05/33/347670533.db2.gz HNJWWLSCLWOSPU-IRXDYDNUSA-N 1 1 286.419 3.124 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC=C(c2ccccc2)C1 ZINC000598614209 347671550 /nfs/dbraw/zinc/67/15/50/347671550.db2.gz JRICAYAYJFDOBD-QGZVFWFLSA-N 1 1 284.403 3.076 20 30 CGEDMO C[C@H](C1CCCCC1)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598615679 347671626 /nfs/dbraw/zinc/67/16/26/347671626.db2.gz RLUPBUPRUKUTEX-HIFRSBDPSA-N 1 1 266.429 3.188 20 30 CGEDMO N#CC[C@]1(O)CC[N@@H+](CCCCc2cccc(Cl)c2)C1 ZINC000598623671 347672178 /nfs/dbraw/zinc/67/21/78/347672178.db2.gz ARZVTJWKQKKJPZ-INIZCTEOSA-N 1 1 292.810 3.013 20 30 CGEDMO N#CCc1cccc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000599676901 347764390 /nfs/dbraw/zinc/76/43/90/347764390.db2.gz VSMVGZZXAIADSB-UHFFFAOYSA-N 1 1 262.356 3.311 20 30 CGEDMO N#CCc1cccc2c1CC[N@@H+](CCOCC1CCCC1)C2 ZINC000599678479 347765426 /nfs/dbraw/zinc/76/54/26/347765426.db2.gz RIXXSPJFQSQGQY-UHFFFAOYSA-N 1 1 298.430 3.318 20 30 CGEDMO CCCC[N@@H+](CCOC)Cc1ccc(C)c(C#N)c1 ZINC000599291040 347731934 /nfs/dbraw/zinc/73/19/34/347731934.db2.gz IXOSZYZACBVJAR-UHFFFAOYSA-N 1 1 260.381 3.115 20 30 CGEDMO Cc1csc([C@H](C)[NH2+]Cc2ccc(C)c(C#N)c2)n1 ZINC000599358845 347739887 /nfs/dbraw/zinc/73/98/87/347739887.db2.gz NCWOFATVFGFZBL-LBPRGKRZSA-N 1 1 271.389 3.482 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCCCC[C@H]2C[C@H](C)O)cc1C#N ZINC000599416703 347742911 /nfs/dbraw/zinc/74/29/11/347742911.db2.gz WUQWBXFXZCUARI-YJBOKZPZSA-N 1 1 286.419 3.382 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)C[C@@]1(C)CCCS1 ZINC000600109735 347780189 /nfs/dbraw/zinc/78/01/89/347780189.db2.gz PCNHLZGLKJGJLR-OAHLLOKOSA-N 1 1 260.406 3.276 20 30 CGEDMO Cc1ccc(Cn2c[nH+]c3c2C[C@@H](C)[C@H](C)C3)cc1C#N ZINC000599431909 347744357 /nfs/dbraw/zinc/74/43/57/347744357.db2.gz SVIISEDCHUQLIW-ZIAGYGMSSA-N 1 1 279.387 3.482 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(C(=O)OC)sc2C)C1 ZINC000599526962 347750678 /nfs/dbraw/zinc/75/06/78/347750678.db2.gz YQPBDOFEHWICJJ-GFCCVEGCSA-N 1 1 279.405 3.241 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000599526761 347750742 /nfs/dbraw/zinc/75/07/42/347750742.db2.gz RJIHXMGVSZCVMR-NSHDSACASA-N 1 1 264.300 3.132 20 30 CGEDMO N#Cc1cccc(OCCC[N@H+]2Cc3ccc(O)cc3C2)c1 ZINC000599536722 347752895 /nfs/dbraw/zinc/75/28/95/347752895.db2.gz PTHUPAXHJYKMGR-UHFFFAOYSA-N 1 1 294.354 3.049 20 30 CGEDMO N#Cc1cccc(OCCC[N@@H+]2Cc3ccc(O)cc3C2)c1 ZINC000599536722 347752898 /nfs/dbraw/zinc/75/28/98/347752898.db2.gz PTHUPAXHJYKMGR-UHFFFAOYSA-N 1 1 294.354 3.049 20 30 CGEDMO N#Cc1ccc(CC[N@@H+]2CCCC(F)(F)CC2)cc1 ZINC000599552103 347753350 /nfs/dbraw/zinc/75/33/50/347753350.db2.gz FRSPQMINZSYAOI-UHFFFAOYSA-N 1 1 264.319 3.222 20 30 CGEDMO N#Cc1c(F)cccc1C[N@@H+]1CCCC(F)(F)CC1 ZINC000599552537 347753427 /nfs/dbraw/zinc/75/34/27/347753427.db2.gz KBEYAYPMIPCBIM-UHFFFAOYSA-N 1 1 268.282 3.319 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CCCC(F)(F)CC1 ZINC000599552537 347753429 /nfs/dbraw/zinc/75/34/29/347753429.db2.gz KBEYAYPMIPCBIM-UHFFFAOYSA-N 1 1 268.282 3.319 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599592384 347756876 /nfs/dbraw/zinc/75/68/76/347756876.db2.gz YMBBOEJTBASLKJ-KKUMJFAQSA-N 1 1 279.424 3.088 20 30 CGEDMO COc1ccsc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000600212786 347794037 /nfs/dbraw/zinc/79/40/37/347794037.db2.gz JPAIYILUXGOOJJ-UHFFFAOYSA-N 1 1 298.411 3.381 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CCCC(F)(F)CC2)c1 ZINC000600187812 347790977 /nfs/dbraw/zinc/79/09/77/347790977.db2.gz JFZYZGLKXYIYDQ-UHFFFAOYSA-N 1 1 256.321 3.241 20 30 CGEDMO C[N@@H+](CC(=O)N[C@@H](CCCC#N)c1ccccc1)C1CCC1 ZINC000600825963 347840162 /nfs/dbraw/zinc/84/01/62/347840162.db2.gz WPQZXEBICKGOTE-KRWDZBQOSA-N 1 1 299.418 3.022 20 30 CGEDMO N#CC[C@@H]1CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601191392 347879036 /nfs/dbraw/zinc/87/90/36/347879036.db2.gz LXHDVLABFOUPOD-LBPRGKRZSA-N 1 1 296.330 3.273 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@H+]2CC3(CCC3)[C@@H]2c2ccccc2)CC1 ZINC000601957937 347929324 /nfs/dbraw/zinc/92/93/24/347929324.db2.gz KICJXEDINLMTST-SJORKVTESA-N 1 1 296.414 3.268 20 30 CGEDMO Cc1cccc(C)c1NC(=O)C[N@H+](C)C[C@@H](C)CCC#N ZINC000602434787 347957070 /nfs/dbraw/zinc/95/70/70/347957070.db2.gz ROLJLMURTPLCQC-ZDUSSCGKSA-N 1 1 287.407 3.114 20 30 CGEDMO C[C@H](CCC#N)C[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000602447857 347960460 /nfs/dbraw/zinc/96/04/60/347960460.db2.gz GUQCQTHVSHAXNC-ZBFHGGJFSA-N 1 1 276.380 3.200 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000602459298 347961949 /nfs/dbraw/zinc/96/19/49/347961949.db2.gz SRNNACFBSNYLRE-CZUORRHYSA-N 1 1 276.355 3.139 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000602459298 347961951 /nfs/dbraw/zinc/96/19/51/347961951.db2.gz SRNNACFBSNYLRE-CZUORRHYSA-N 1 1 276.355 3.139 20 30 CGEDMO Cc1ccccc1[C@H]1CC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602463208 347962306 /nfs/dbraw/zinc/96/23/06/347962306.db2.gz LOZJUPYBPWBTDJ-HNNXBMFYSA-N 1 1 277.371 3.251 20 30 CGEDMO COc1ccc([C@@H]2CC[N@@H+](C[C@H](C)CCC#N)C2)cc1 ZINC000602465500 347962701 /nfs/dbraw/zinc/96/27/01/347962701.db2.gz RDSYARPOUZECLR-GDBMZVCRSA-N 1 1 272.392 3.424 20 30 CGEDMO COc1ccccc1C[C@H](C)[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602466732 347962932 /nfs/dbraw/zinc/96/29/32/347962932.db2.gz WAUHXRZSZYVEHX-AWEZNQCLSA-N 1 1 295.386 3.025 20 30 CGEDMO CO[C@](C)(C[N@@H+](CCC#N)CCC(C)C)C1CC1 ZINC000602466694 347962963 /nfs/dbraw/zinc/96/29/63/347962963.db2.gz ZUCGJSUTRBBAKC-OAHLLOKOSA-N 1 1 252.402 3.063 20 30 CGEDMO COCC[N@H+](CCC#N)C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000602464894 347962978 /nfs/dbraw/zinc/96/29/78/347962978.db2.gz HHYLAYGGGZHERE-IAGOWNOFSA-N 1 1 272.392 3.042 20 30 CGEDMO COCC[N@@H+](CCC#N)C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000602464894 347962979 /nfs/dbraw/zinc/96/29/79/347962979.db2.gz HHYLAYGGGZHERE-IAGOWNOFSA-N 1 1 272.392 3.042 20 30 CGEDMO CCOC(=O)C1([N@@H+](C)C[C@H](C)CCC#N)CCCCC1 ZINC000602474320 347965056 /nfs/dbraw/zinc/96/50/56/347965056.db2.gz GUGSQPKLOSCERU-CQSZACIVSA-N 1 1 280.412 3.124 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000602475538 347965268 /nfs/dbraw/zinc/96/52/68/347965268.db2.gz KSXUJGRDBDKTBS-VYDXJSESSA-N 1 1 272.392 3.388 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000602480917 347965700 /nfs/dbraw/zinc/96/57/00/347965700.db2.gz AGVNFGQZVWGODE-CABCVRRESA-N 1 1 294.439 3.370 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C)Cc1cc(Cl)cn1C ZINC000602482404 347967111 /nfs/dbraw/zinc/96/71/11/347967111.db2.gz GIMKXSHTSDHIGR-NSHDSACASA-N 1 1 253.777 3.050 20 30 CGEDMO N#Cc1cccc(C[NH2+][C@@H]2CSCc3ccccc32)n1 ZINC000602535932 347977235 /nfs/dbraw/zinc/97/72/35/347977235.db2.gz PKISLMXPVPHLCD-MRXNPFEDSA-N 1 1 281.384 3.031 20 30 CGEDMO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1cccc(C#N)n1 ZINC000602596167 347990922 /nfs/dbraw/zinc/99/09/22/347990922.db2.gz ILYGMECZBWFLJW-MNOVXSKESA-N 1 1 283.297 3.116 20 30 CGEDMO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1cccc(C#N)n1 ZINC000602596167 347990924 /nfs/dbraw/zinc/99/09/24/347990924.db2.gz ILYGMECZBWFLJW-MNOVXSKESA-N 1 1 283.297 3.116 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+]1CCSC[C@@H]1c1nccs1 ZINC000602614727 347994667 /nfs/dbraw/zinc/99/46/67/347994667.db2.gz GQUBUYFHSBJMQL-NWDGAFQWSA-N 1 1 281.450 3.173 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCSC[C@@H]1c1nccs1 ZINC000602614727 347994669 /nfs/dbraw/zinc/99/46/69/347994669.db2.gz GQUBUYFHSBJMQL-NWDGAFQWSA-N 1 1 281.450 3.173 20 30 CGEDMO N#CC1(CN[C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000602644643 348000012 /nfs/dbraw/zinc/00/00/12/348000012.db2.gz ZSOWPNNLRSLJRV-FUHWJXTLSA-N 1 1 295.430 3.248 20 30 CGEDMO N#CC1CCC([NH2+]C[C@H]2CCCN2C2CCCCC2)CC1 ZINC000602646640 348000717 /nfs/dbraw/zinc/00/07/17/348000717.db2.gz RGHMNDMNWJUZGJ-LEOMRAHMSA-N 1 1 289.467 3.455 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H](C)CCC#N ZINC000602660673 348003645 /nfs/dbraw/zinc/00/36/45/348003645.db2.gz IGOABSQWYSPCAV-CQSZACIVSA-N 1 1 276.380 3.090 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)Cc1ccccc1N(C)C ZINC000602666257 348004460 /nfs/dbraw/zinc/00/44/60/348004460.db2.gz ZMQREADDXPGUIV-CQSZACIVSA-N 1 1 259.397 3.124 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000602670234 348004865 /nfs/dbraw/zinc/00/48/65/348004865.db2.gz NKLGGFFNNLKTJX-WBVHZDCISA-N 1 1 283.419 3.063 20 30 CGEDMO C[C@H](CCC#N)CN1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000602668570 348005006 /nfs/dbraw/zinc/00/50/06/348005006.db2.gz CUEVDHBLLXAZPA-WBVHZDCISA-N 1 1 283.419 3.411 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000602669581 348005058 /nfs/dbraw/zinc/00/50/58/348005058.db2.gz KGWOFJMGKDVAEI-DZGCQCFKSA-N 1 1 257.381 3.404 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000602694384 348010814 /nfs/dbraw/zinc/01/08/14/348010814.db2.gz MCAZAQUHCMZBFY-YTQUADARSA-N 1 1 297.446 3.133 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1[C@@H](C)CC[C@H]1C(=O)OC(C)(C)C ZINC000602698198 348012209 /nfs/dbraw/zinc/01/22/09/348012209.db2.gz DOJNRNKHVZQRFX-RDBSUJKOSA-N 1 1 280.412 3.121 20 30 CGEDMO CC[C@H](C)[C@H](C[N@H+]1CCc2c(CC#N)cccc2C1)OC ZINC000602731910 348020078 /nfs/dbraw/zinc/02/00/78/348020078.db2.gz YUUVTBLXNORAJT-KSSFIOAISA-N 1 1 286.419 3.172 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CC[C@H](O)C[C@@H]2c2ccccc2)c1 ZINC000602730277 348020350 /nfs/dbraw/zinc/02/03/50/348020350.db2.gz FBRTVQPJPBMTRI-DOTOQJQBSA-N 1 1 298.411 3.318 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](C3CCC3)CC2)n1 ZINC000602743742 348023024 /nfs/dbraw/zinc/02/30/24/348023024.db2.gz ZYPKSARDPZXSLU-OAHLLOKOSA-N 1 1 269.392 3.355 20 30 CGEDMO COc1ccc(C[C@@H](C)C[N@@H+](C)CC2(CC#N)CC2)cc1 ZINC000602796357 348030539 /nfs/dbraw/zinc/03/05/39/348030539.db2.gz FNEDKNUDHYEZQK-OAHLLOKOSA-N 1 1 286.419 3.499 20 30 CGEDMO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1CC1(CC#N)CC1 ZINC000602846096 348036506 /nfs/dbraw/zinc/03/65/06/348036506.db2.gz LSIFCLKIXBUUIO-UONOGXRCSA-N 1 1 292.423 3.122 20 30 CGEDMO CC[N@@H+]1[C@H](C)CN(CCC2(C#N)CCCCC2)C[C@@H]1C ZINC000602874837 348039147 /nfs/dbraw/zinc/03/91/47/348039147.db2.gz SYFLASRZNJUOBY-IYBDPMFKSA-N 1 1 277.456 3.265 20 30 CGEDMO CCN1[C@H](C)C[N@@H+](CCC2(C#N)CCCCC2)C[C@@H]1C ZINC000602874837 348039149 /nfs/dbraw/zinc/03/91/49/348039149.db2.gz SYFLASRZNJUOBY-IYBDPMFKSA-N 1 1 277.456 3.265 20 30 CGEDMO CCN1[C@H](C)C[N@H+](CCC2(C#N)CCCCC2)C[C@@H]1C ZINC000602874837 348039152 /nfs/dbraw/zinc/03/91/52/348039152.db2.gz SYFLASRZNJUOBY-IYBDPMFKSA-N 1 1 277.456 3.265 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000602880312 348039786 /nfs/dbraw/zinc/03/97/86/348039786.db2.gz LZSFXTGLICYCQJ-AWEZNQCLSA-N 1 1 260.385 3.267 20 30 CGEDMO C[N@@H+](CCCOc1ccc(F)cc1)[C@@H]1CCC[C@H]1C#N ZINC000602975743 348048261 /nfs/dbraw/zinc/04/82/61/348048261.db2.gz GPVGEYPDVGMVMA-XJKSGUPXSA-N 1 1 276.355 3.219 20 30 CGEDMO C[N@@H+](CCCOCCc1ccccc1)[C@H]1CCC[C@H]1C#N ZINC000602977170 348049321 /nfs/dbraw/zinc/04/93/21/348049321.db2.gz YUEPNUARKWOJAT-ROUUACIJSA-N 1 1 286.419 3.260 20 30 CGEDMO C[N@@H+](CCCCC(=O)OC(C)(C)C)[C@H]1CCC[C@@H]1C#N ZINC000602979475 348050096 /nfs/dbraw/zinc/05/00/96/348050096.db2.gz DSNIDBMOFNERJM-KGLIPLIRSA-N 1 1 280.412 3.122 20 30 CGEDMO Cc1cc(-n2ccnc2)ccc1C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602980936 348051474 /nfs/dbraw/zinc/05/14/74/348051474.db2.gz XQGFLMLXVOYWQO-CRAIPNDOSA-N 1 1 294.402 3.305 20 30 CGEDMO N#CCCC[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000604275943 348112712 /nfs/dbraw/zinc/11/27/12/348112712.db2.gz CQACBRKOKCUALO-DTORHVGOSA-N 1 1 288.235 3.353 20 30 CGEDMO N#CCCC[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000604275943 348112715 /nfs/dbraw/zinc/11/27/15/348112715.db2.gz CQACBRKOKCUALO-DTORHVGOSA-N 1 1 288.235 3.353 20 30 CGEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000607058216 348216609 /nfs/dbraw/zinc/21/66/09/348216609.db2.gz HFAPQMONJYYOFN-AWEZNQCLSA-N 1 1 288.435 3.107 20 30 CGEDMO C=CCCCCC[N@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000606902279 348206770 /nfs/dbraw/zinc/20/67/70/348206770.db2.gz QMOFNVLJMQGKDC-UHFFFAOYSA-N 1 1 280.456 3.456 20 30 CGEDMO C=CCCCCCN(C)C(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000606933022 348210412 /nfs/dbraw/zinc/21/04/12/348210412.db2.gz OKTKZCOYTVJEQI-XHSDSOJGSA-N 1 1 280.456 3.453 20 30 CGEDMO C=C(C[NH2+]Cc1csc(COC)n1)c1ccccc1 ZINC000608054530 348278976 /nfs/dbraw/zinc/27/89/76/348278976.db2.gz GHBDNSGBSWGFBQ-UHFFFAOYSA-N 1 1 274.389 3.093 20 30 CGEDMO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1ccnc(C#N)c1 ZINC000610991499 348413594 /nfs/dbraw/zinc/41/35/94/348413594.db2.gz OGSJQPPZGUVGMB-NSHDSACASA-N 1 1 287.313 3.424 20 30 CGEDMO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000610991499 348413602 /nfs/dbraw/zinc/41/36/02/348413602.db2.gz OGSJQPPZGUVGMB-NSHDSACASA-N 1 1 287.313 3.424 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@@H](c3ccco3)C2)cc1C#N ZINC000610992824 348415014 /nfs/dbraw/zinc/41/50/14/348415014.db2.gz MLTOXGLRFSKKGK-CQSZACIVSA-N 1 1 282.343 3.149 20 30 CGEDMO COCC[N@@H+](Cc1ccnc(C#N)c1)[C@H](C)c1ccccc1 ZINC000610992153 348415525 /nfs/dbraw/zinc/41/55/25/348415525.db2.gz FYIHQLGCQXPZQG-OAHLLOKOSA-N 1 1 295.386 3.163 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[NH+]2C3CCC2CC3)c1C#N ZINC000611346144 348440281 /nfs/dbraw/zinc/44/02/81/348440281.db2.gz QXTRPHNPGUOAQV-UHFFFAOYSA-N 1 1 292.386 3.179 20 30 CGEDMO COCC1([N@@H+](C)Cc2ccccc2C(C)(C)C#N)CC1 ZINC000611178462 348426327 /nfs/dbraw/zinc/42/63/27/348426327.db2.gz BOTLITAPIICDEA-UHFFFAOYSA-N 1 1 272.392 3.099 20 30 CGEDMO CC[N@H+](CCN[C@@H]1CCCc2cc(C#N)ccc21)C1CC1 ZINC000611392283 348445324 /nfs/dbraw/zinc/44/53/24/348445324.db2.gz PRTYDVMQQXNLMU-GOSISDBHSA-N 1 1 283.419 3.010 20 30 CGEDMO CC[N@@H+](CCN[C@@H]1CCCc2cc(C#N)ccc21)C1CC1 ZINC000611392283 348445326 /nfs/dbraw/zinc/44/53/26/348445326.db2.gz PRTYDVMQQXNLMU-GOSISDBHSA-N 1 1 283.419 3.010 20 30 CGEDMO CCC[N@H+](CC)CCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000611393946 348445886 /nfs/dbraw/zinc/44/58/86/348445886.db2.gz UTMLCBOPMABDAP-SFHVURJKSA-N 1 1 285.435 3.257 20 30 CGEDMO CCC[N@@H+](CC)CCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000611393946 348445887 /nfs/dbraw/zinc/44/58/87/348445887.db2.gz UTMLCBOPMABDAP-SFHVURJKSA-N 1 1 285.435 3.257 20 30 CGEDMO N#CCC1CC[NH+](Cc2nc3c(s2)CCCC3)CC1 ZINC000611622789 348464228 /nfs/dbraw/zinc/46/42/28/348464228.db2.gz JFBUGGOKSURGPQ-UHFFFAOYSA-N 1 1 275.421 3.148 20 30 CGEDMO COc1cccc([C@H](C)[N@@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000612165492 348499276 /nfs/dbraw/zinc/49/92/76/348499276.db2.gz NJBQUQORAFEKKD-XJKSGUPXSA-N 1 1 258.365 3.382 20 30 CGEDMO COc1cccc([C@H](C)[N@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000612165492 348499278 /nfs/dbraw/zinc/49/92/78/348499278.db2.gz NJBQUQORAFEKKD-XJKSGUPXSA-N 1 1 258.365 3.382 20 30 CGEDMO COc1ccc(OCCC[N@@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612165031 348499379 /nfs/dbraw/zinc/49/93/79/348499379.db2.gz HYGBZMHMFFQBFZ-KRWDZBQOSA-N 1 1 288.391 3.090 20 30 CGEDMO COc1ccc(OCCC[N@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612165031 348499383 /nfs/dbraw/zinc/49/93/83/348499383.db2.gz HYGBZMHMFFQBFZ-KRWDZBQOSA-N 1 1 288.391 3.090 20 30 CGEDMO COc1ccc(-c2nc(C[NH2+]CCCC#N)cs2)cc1 ZINC000612194933 348501009 /nfs/dbraw/zinc/50/10/09/348501009.db2.gz XWUPBLHKJQAPHQ-UHFFFAOYSA-N 1 1 287.388 3.212 20 30 CGEDMO C[C@]1(C#N)CCC[N@H+](Cc2cccc3cnccc32)C1 ZINC000612405954 348516599 /nfs/dbraw/zinc/51/65/99/348516599.db2.gz FPDRXBGLGAAACV-QGZVFWFLSA-N 1 1 265.360 3.360 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000612405954 348516601 /nfs/dbraw/zinc/51/66/01/348516601.db2.gz FPDRXBGLGAAACV-QGZVFWFLSA-N 1 1 265.360 3.360 20 30 CGEDMO CC[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccn(C)n1 ZINC000612572409 348528819 /nfs/dbraw/zinc/52/88/19/348528819.db2.gz HNKHUIQSTISMPY-SWLSCSKDSA-N 1 1 268.364 3.094 20 30 CGEDMO C[C@H](CNc1nc(C(C)(C)C)ccc1C#N)[N@@H+](C)C1CC1 ZINC000613420555 348599717 /nfs/dbraw/zinc/59/97/17/348599717.db2.gz QXNIVNMVBHCABU-GFCCVEGCSA-N 1 1 286.423 3.145 20 30 CGEDMO C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(C(C)(C)C#N)cc2)CC[N@@H+]1C ZINC000614169796 348654676 /nfs/dbraw/zinc/65/46/76/348654676.db2.gz VLVGHKVWSJOHPK-QAPCUYQASA-N 1 1 299.462 3.402 20 30 CGEDMO C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(C(C)(C)C#N)cc2)CC[N@H+]1C ZINC000614169796 348654678 /nfs/dbraw/zinc/65/46/78/348654678.db2.gz VLVGHKVWSJOHPK-QAPCUYQASA-N 1 1 299.462 3.402 20 30 CGEDMO C[C@@H]1C[C@@H](N(C)Cc2ccc(C(C)(C)C#N)cc2)CC[N@@H+]1C ZINC000614169796 348654687 /nfs/dbraw/zinc/65/46/87/348654687.db2.gz VLVGHKVWSJOHPK-QAPCUYQASA-N 1 1 299.462 3.402 20 30 CGEDMO C[C@@H]1C[C@@H](N(C)Cc2ccc(C(C)(C)C#N)cc2)CC[N@H+]1C ZINC000614169796 348654690 /nfs/dbraw/zinc/65/46/90/348654690.db2.gz VLVGHKVWSJOHPK-QAPCUYQASA-N 1 1 299.462 3.402 20 30 CGEDMO CC(C)(O)[C@H]1CCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176158 348655140 /nfs/dbraw/zinc/65/51/40/348655140.db2.gz MWVSVRYMFRSVQP-MRXNPFEDSA-N 1 1 286.419 3.223 20 30 CGEDMO CO[C@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614182332 348656216 /nfs/dbraw/zinc/65/62/16/348656216.db2.gz LUEOTNBBKMZFIJ-KRWDZBQOSA-N 1 1 286.419 3.489 20 30 CGEDMO CCn1ccc(C[N@H+](C)Cc2ccc(C#N)s2)c1 ZINC000616737747 348876747 /nfs/dbraw/zinc/87/67/47/348876747.db2.gz IRCUZHJPYCMTFQ-UHFFFAOYSA-N 1 1 259.378 3.073 20 30 CGEDMO CCn1ccc(C[N@@H+](C)Cc2ccc(C#N)s2)c1 ZINC000616737747 348876750 /nfs/dbraw/zinc/87/67/50/348876750.db2.gz IRCUZHJPYCMTFQ-UHFFFAOYSA-N 1 1 259.378 3.073 20 30 CGEDMO C=CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000617781937 349010854 /nfs/dbraw/zinc/01/08/54/349010854.db2.gz VVJXYKACEHLESC-DOTOQJQBSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[NH+]1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000618453810 349086501 /nfs/dbraw/zinc/08/65/01/349086501.db2.gz UWMFXYRSZCKWJF-YUMQZZPRSA-N 1 1 261.209 3.235 20 30 CGEDMO Cn1ccnc1[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000618562048 349106075 /nfs/dbraw/zinc/10/60/75/349106075.db2.gz UAOPQKVEYYHAJX-HYVNUMGLSA-N 1 1 294.402 3.181 20 30 CGEDMO CC[N@@H+](Cc1ccc2cnccc2c1)C[C@H](C)C#N ZINC000618809456 349157324 /nfs/dbraw/zinc/15/73/24/349157324.db2.gz RDYJHCUWVWQDDL-CYBMUJFWSA-N 1 1 253.349 3.216 20 30 CGEDMO CC[N@H+](Cc1ccc2cnccc2c1)C[C@H](C)C#N ZINC000618809456 349157327 /nfs/dbraw/zinc/15/73/27/349157327.db2.gz RDYJHCUWVWQDDL-CYBMUJFWSA-N 1 1 253.349 3.216 20 30 CGEDMO N#CCC[N@@H+](Cc1ccc2cnccc2c1)CC1CC1 ZINC000618811163 349157824 /nfs/dbraw/zinc/15/78/24/349157824.db2.gz ZDDAFWQRIRDHRI-UHFFFAOYSA-N 1 1 265.360 3.360 20 30 CGEDMO N#CCC[N@H+](Cc1ccc2cnccc2c1)CC1CC1 ZINC000618811163 349157826 /nfs/dbraw/zinc/15/78/26/349157826.db2.gz ZDDAFWQRIRDHRI-UHFFFAOYSA-N 1 1 265.360 3.360 20 30 CGEDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000619283992 349227341 /nfs/dbraw/zinc/22/73/41/349227341.db2.gz VBYBOJJUMAKPTE-SFHVURJKSA-N 1 1 286.419 3.489 20 30 CGEDMO N#C[C@@H]1CC[C@H]([NH2+]Cc2c(F)c(F)cc(F)c2F)C1 ZINC000619673108 349269718 /nfs/dbraw/zinc/26/97/18/349269718.db2.gz UMBRETMGYXCONJ-SFYZADRCSA-N 1 1 272.245 3.025 20 30 CGEDMO C[C@@]1(C#N)CCC[N@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000619781324 349285202 /nfs/dbraw/zinc/28/52/02/349285202.db2.gz XPZOKEAQVOXVEI-GJZGRUSLSA-N 1 1 262.397 3.104 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000619781324 349285204 /nfs/dbraw/zinc/28/52/04/349285204.db2.gz XPZOKEAQVOXVEI-GJZGRUSLSA-N 1 1 262.397 3.104 20 30 CGEDMO C=CCCCN(C)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000624547314 350063602 /nfs/dbraw/zinc/06/36/02/350063602.db2.gz ZYBNJOJEWZPLOO-INIZCTEOSA-N 1 1 293.455 3.001 20 30 CGEDMO CC(C)[N@H+](Cc1cccnc1)Cc1ccccc1C#N ZINC000125631303 535109390 /nfs/dbraw/zinc/10/93/90/535109390.db2.gz BUGRNQWPJTYJKV-UHFFFAOYSA-N 1 1 265.360 3.364 20 30 CGEDMO CC(C)[N@@H+](Cc1cccnc1)Cc1ccccc1C#N ZINC000125631303 535109400 /nfs/dbraw/zinc/10/94/00/535109400.db2.gz BUGRNQWPJTYJKV-UHFFFAOYSA-N 1 1 265.360 3.364 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CC(=O)Nc2ccccc2CC)C1 ZINC000625700061 350199040 /nfs/dbraw/zinc/19/90/40/350199040.db2.gz IQKJLPZMJPMVDA-AWEZNQCLSA-N 1 1 272.392 3.086 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000625703058 350200009 /nfs/dbraw/zinc/20/00/09/350200009.db2.gz KQAASUJLXPNHKG-OAHLLOKOSA-N 1 1 267.376 3.270 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2cncn2Cc2ccccc2)C1 ZINC000625704472 350200952 /nfs/dbraw/zinc/20/09/52/350200952.db2.gz YFNSCLBPSFFIMT-MRXNPFEDSA-N 1 1 281.403 3.329 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625797996 350214895 /nfs/dbraw/zinc/21/48/95/350214895.db2.gz AMULABRKXHRNKZ-QGZVFWFLSA-N 1 1 271.360 3.063 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cc(C)c(Br)cn1 ZINC000628234441 350455147 /nfs/dbraw/zinc/45/51/47/350455147.db2.gz AJMHPLABTYQMAM-UHFFFAOYSA-N 1 1 269.186 3.160 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2c(F)cncc2Br)C1 ZINC000628406303 350529812 /nfs/dbraw/zinc/52/98/12/350529812.db2.gz HFBYUYYBQCEPMW-SNVBAGLBSA-N 1 1 299.187 3.381 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2c(F)cncc2Br)C1 ZINC000628406303 350529816 /nfs/dbraw/zinc/52/98/16/350529816.db2.gz HFBYUYYBQCEPMW-SNVBAGLBSA-N 1 1 299.187 3.381 20 30 CGEDMO C=CCC[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000635717694 351685573 /nfs/dbraw/zinc/68/55/73/351685573.db2.gz TYPVKRGHQUKXIG-WBVHZDCISA-N 1 1 286.419 3.152 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000271513399 191186197 /nfs/dbraw/zinc/18/61/97/191186197.db2.gz PFRLPLJPFTVEOZ-JTQLQIEISA-N 1 1 284.743 3.397 20 30 CGEDMO C=CC[N@H+](Cc1cnc2c(cnn2C(C)C)c1)C1CC1 ZINC000271538807 191199365 /nfs/dbraw/zinc/19/93/65/191199365.db2.gz YMWQYDNOTSILPX-UHFFFAOYSA-N 1 1 270.380 3.163 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cc(OC)c(OC)cc1SC ZINC000152658835 188034874 /nfs/dbraw/zinc/03/48/74/188034874.db2.gz PWPDQWDQNLBLNA-UHFFFAOYSA-N 1 1 281.421 3.434 20 30 CGEDMO CCc1noc(CC)c1C[NH2+]Cc1ccc(C#N)s1 ZINC000152812209 188045276 /nfs/dbraw/zinc/04/52/76/188045276.db2.gz POUUIUGHWPFQBN-UHFFFAOYSA-N 1 1 275.377 3.022 20 30 CGEDMO C[N@@H+](CCOc1ccccc1)Cc1ccc(C#N)s1 ZINC000154741305 188158835 /nfs/dbraw/zinc/15/88/35/188158835.db2.gz KBOJMWPEVDQJFZ-UHFFFAOYSA-N 1 1 272.373 3.131 20 30 CGEDMO COc1cccc(C[N@H+](C)Cc2ccc(C#N)cc2F)c1 ZINC000053899147 137920072 /nfs/dbraw/zinc/92/00/72/137920072.db2.gz ZUXIUCWCAVBPHJ-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO COc1cccc(C[N@@H+](C)Cc2ccc(C#N)cc2F)c1 ZINC000053899147 137920073 /nfs/dbraw/zinc/92/00/73/137920073.db2.gz ZUXIUCWCAVBPHJ-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO C=C1CC[NH+](Cc2c(C3CC3)nc3sccn23)CC1 ZINC000271723846 191291414 /nfs/dbraw/zinc/29/14/14/191291414.db2.gz KVTJLFYIRUJDOH-UHFFFAOYSA-N 1 1 273.405 3.425 20 30 CGEDMO CCC[N@@H+](Cc1cccn1C)Cc1ccc(C#N)cc1 ZINC000119277467 370662010 /nfs/dbraw/zinc/66/20/10/370662010.db2.gz MAUKWTNCSFMNPH-UHFFFAOYSA-N 1 1 267.376 3.309 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(OC)cn1 ZINC000271855318 191370663 /nfs/dbraw/zinc/37/06/63/191370663.db2.gz XDQCIQCOUGAHOE-UHFFFAOYSA-N 1 1 298.386 3.287 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(OC)cn1 ZINC000271855318 191370666 /nfs/dbraw/zinc/37/06/66/191370666.db2.gz XDQCIQCOUGAHOE-UHFFFAOYSA-N 1 1 298.386 3.287 20 30 CGEDMO CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353487008 283179464 /nfs/dbraw/zinc/17/94/64/283179464.db2.gz ZGXTZBJSDQMULO-RDTXWAMCSA-N 1 1 285.435 3.256 20 30 CGEDMO CCCN(CC)C[C@@H](C)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353487008 283179467 /nfs/dbraw/zinc/17/94/67/283179467.db2.gz ZGXTZBJSDQMULO-RDTXWAMCSA-N 1 1 285.435 3.256 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000088704473 138342895 /nfs/dbraw/zinc/34/28/95/138342895.db2.gz KJKBBMCCDUXLMY-KGLIPLIRSA-N 1 1 258.365 3.057 20 30 CGEDMO Cc1cnccc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000294520161 199070783 /nfs/dbraw/zinc/07/07/83/199070783.db2.gz FNAMWSYUKNGWKZ-UHFFFAOYSA-N 1 1 277.371 3.426 20 30 CGEDMO COCCSCCC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425536067 236257879 /nfs/dbraw/zinc/25/78/79/236257879.db2.gz ODALRLOYZBHPQY-AWEZNQCLSA-N 1 1 292.448 3.321 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CCO[C@H](C)C1 ZINC000425367013 236238340 /nfs/dbraw/zinc/23/83/40/236238340.db2.gz RLHJRLRCSQEMPP-IIAWOOMASA-N 1 1 272.392 3.366 20 30 CGEDMO COCC(C)(C)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000426419059 236294389 /nfs/dbraw/zinc/29/43/89/236294389.db2.gz JGYWKPFJZXDIFL-UHFFFAOYSA-N 1 1 284.403 3.320 20 30 CGEDMO N#Cc1cccc(C[NH2+]C2(c3ccccc3)CC2)c1F ZINC000341639210 216046223 /nfs/dbraw/zinc/04/62/23/216046223.db2.gz MUJWCDNKCPZCIL-UHFFFAOYSA-N 1 1 266.319 3.476 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)C1CC(OC(C)(C)C)C1 ZINC000341663113 216056059 /nfs/dbraw/zinc/05/60/59/216056059.db2.gz WNSZCVOZSBRDMB-UHFFFAOYSA-N 1 1 272.392 3.336 20 30 CGEDMO C[C@H]([NH2+]Cc1cn2ccsc2n1)c1cccc(C#N)c1 ZINC000341792359 216105922 /nfs/dbraw/zinc/10/59/22/216105922.db2.gz UECPOMXTIJVTEZ-NSHDSACASA-N 1 1 282.372 3.118 20 30 CGEDMO CC(C)(C)CC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000341808759 216113859 /nfs/dbraw/zinc/11/38/59/216113859.db2.gz LWQJORHWKVSJPC-MRXNPFEDSA-N 1 1 272.392 3.368 20 30 CGEDMO C[C@H]1CCC[N@@H+](C(C)(C)CNCc2ccc(C#N)s2)C1 ZINC000176954074 189016888 /nfs/dbraw/zinc/01/68/88/189016888.db2.gz SJGBAIIGVAXDNE-ZDUSSCGKSA-N 1 1 291.464 3.220 20 30 CGEDMO C[C@H]1CCC[N@H+](C(C)(C)CNCc2ccc(C#N)s2)C1 ZINC000176954074 189016889 /nfs/dbraw/zinc/01/68/89/189016889.db2.gz SJGBAIIGVAXDNE-ZDUSSCGKSA-N 1 1 291.464 3.220 20 30 CGEDMO CC(C)([NH2+]Cc1ccc(C#N)s1)c1nccs1 ZINC000176971278 189017710 /nfs/dbraw/zinc/01/77/10/189017710.db2.gz NROVVPWCWIJETP-UHFFFAOYSA-N 1 1 263.391 3.101 20 30 CGEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)C(C1CC1)C1CC1 ZINC000119353108 370669401 /nfs/dbraw/zinc/66/94/01/370669401.db2.gz BKZZACZMYAYIJQ-UHFFFAOYSA-N 1 1 258.340 3.318 20 30 CGEDMO N#Cc1cc(C[N@H+](Cc2cccnc2)C2CC2)ccc1F ZINC000180731526 189272546 /nfs/dbraw/zinc/27/25/46/189272546.db2.gz NJKGIBIRXDWBMG-UHFFFAOYSA-N 1 1 281.334 3.257 20 30 CGEDMO N#Cc1cc(C[N@@H+](Cc2cccnc2)C2CC2)ccc1F ZINC000180731526 189272547 /nfs/dbraw/zinc/27/25/47/189272547.db2.gz NJKGIBIRXDWBMG-UHFFFAOYSA-N 1 1 281.334 3.257 20 30 CGEDMO CC(C)CO[C@@H]1CC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000119566311 370687607 /nfs/dbraw/zinc/68/76/07/370687607.db2.gz NPJFYQOXBYKZOY-WMLDXEAASA-N 1 1 272.392 3.366 20 30 CGEDMO CC[N@H+](Cc1cn2ccccc2c1C#N)CC(C)C ZINC000120097854 370738092 /nfs/dbraw/zinc/73/80/92/370738092.db2.gz GAZGNDWNSVDTBE-UHFFFAOYSA-N 1 1 255.365 3.289 20 30 CGEDMO CC1(C)C[N@H+](Cc2cc(C#N)cs2)[C@H]1[C@H]1CCCO1 ZINC000335657316 212374919 /nfs/dbraw/zinc/37/49/19/212374919.db2.gz XMWCEZHQYWHXDY-KGLIPLIRSA-N 1 1 276.405 3.009 20 30 CGEDMO CC1(C)C[N@@H+](Cc2cc(C#N)cs2)[C@H]1[C@H]1CCCO1 ZINC000335657316 212374920 /nfs/dbraw/zinc/37/49/20/212374920.db2.gz XMWCEZHQYWHXDY-KGLIPLIRSA-N 1 1 276.405 3.009 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000121344909 370852911 /nfs/dbraw/zinc/85/29/11/370852911.db2.gz HLWUYVSCEXSKPQ-CABCVRRESA-N 1 1 295.448 3.056 20 30 CGEDMO CC[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])CC1CCC1 ZINC000459439390 242110408 /nfs/dbraw/zinc/11/04/08/242110408.db2.gz IMFKHGMROFYJGC-UHFFFAOYSA-N 1 1 273.336 3.088 20 30 CGEDMO CC[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])CC1CCC1 ZINC000459439390 242110413 /nfs/dbraw/zinc/11/04/13/242110413.db2.gz IMFKHGMROFYJGC-UHFFFAOYSA-N 1 1 273.336 3.088 20 30 CGEDMO C=CC[N@@H+](C)Cc1c2ccccc2oc1C(=O)OCC ZINC000121495465 370867288 /nfs/dbraw/zinc/86/72/88/370867288.db2.gz JHUZNCZNQZZGPW-UHFFFAOYSA-N 1 1 273.332 3.227 20 30 CGEDMO C=CC[N@H+](C)Cc1c2ccccc2oc1C(=O)OCC ZINC000121495465 370867290 /nfs/dbraw/zinc/86/72/90/370867290.db2.gz JHUZNCZNQZZGPW-UHFFFAOYSA-N 1 1 273.332 3.227 20 30 CGEDMO C=CC[N@H+](C)Cc1cccc(SC(=O)N(C)C)c1 ZINC000121616285 370877900 /nfs/dbraw/zinc/87/79/00/370877900.db2.gz ZJEMBNMZDDKTMD-UHFFFAOYSA-N 1 1 264.394 3.078 20 30 CGEDMO N#Cc1cccc(OCC[N@H+]2CC[C@@H]2Cc2ccccc2)c1 ZINC000479100415 243092769 /nfs/dbraw/zinc/09/27/69/243092769.db2.gz LOWADNCCADIHRE-GOSISDBHSA-N 1 1 292.382 3.254 20 30 CGEDMO CC(C)(C)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000483239805 243267401 /nfs/dbraw/zinc/26/74/01/243267401.db2.gz QDHDGQCBDMYICK-HNNXBMFYSA-N 1 1 299.418 3.255 20 30 CGEDMO C=CCOc1cccc(C[N@H+](CCC(=O)OC)C(C)C)c1 ZINC000125900100 370941432 /nfs/dbraw/zinc/94/14/32/370941432.db2.gz RZUTXCWAJNARHO-UHFFFAOYSA-N 1 1 291.391 3.025 20 30 CGEDMO C=CCC(CC=C)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000126120167 370944035 /nfs/dbraw/zinc/94/40/35/370944035.db2.gz XYKAUFRFYXRZHA-HNNXBMFYSA-N 1 1 292.467 3.382 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CCCCC1 ZINC000019846857 368773257 /nfs/dbraw/zinc/77/32/57/368773257.db2.gz KDXRKQJJZFXBJF-UHFFFAOYSA-N 1 1 285.391 3.151 20 30 CGEDMO COc1ccc2c(c1)C[N@@H+](CC#Cc1ccccc1)CC2 ZINC000032602311 368936689 /nfs/dbraw/zinc/93/66/89/368936689.db2.gz OTORNFUVUBXXHJ-UHFFFAOYSA-N 1 1 277.367 3.105 20 30 CGEDMO COc1ccc2c(c1)C[N@H+](CC#Cc1ccccc1)CC2 ZINC000032602311 368936695 /nfs/dbraw/zinc/93/66/95/368936695.db2.gz OTORNFUVUBXXHJ-UHFFFAOYSA-N 1 1 277.367 3.105 20 30 CGEDMO N#Cc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC000035929062 369005121 /nfs/dbraw/zinc/00/51/21/369005121.db2.gz JONBWCQNBMJLMF-UHFFFAOYSA-N 1 1 295.361 3.020 20 30 CGEDMO CC(C)[C@@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)N1CCCC1 ZINC000037240602 369079090 /nfs/dbraw/zinc/07/90/90/369079090.db2.gz LMPNLHUYNHGZSR-MAUKXSAKSA-N 1 1 285.435 3.329 20 30 CGEDMO C[C@H](C1CC1)[N@@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC000042123504 369201629 /nfs/dbraw/zinc/20/16/29/369201629.db2.gz QIGBERLZKSQZKM-LLVKDONJSA-N 1 1 258.340 3.460 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)C[C@H]2CCCCO2)cc1 ZINC000042364586 369217645 /nfs/dbraw/zinc/21/76/45/369217645.db2.gz WHISECVYGOZLLI-QGZVFWFLSA-N 1 1 275.392 3.252 20 30 CGEDMO C[C@@H]([N@@H+](C)CCOc1ccccc1C#N)C(C)(C)C ZINC000042278417 369210452 /nfs/dbraw/zinc/21/04/52/369210452.db2.gz XXNYPCKSXBJNFR-CYBMUJFWSA-N 1 1 260.381 3.303 20 30 CGEDMO CC1CCC([N@@H+](C)CCOc2ccccc2C#N)CC1 ZINC000048554196 369358149 /nfs/dbraw/zinc/35/81/49/369358149.db2.gz UCZTUQKBDLVJNK-UHFFFAOYSA-N 1 1 272.392 3.448 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCOc2ccc(C#N)cc2)[C@@H]1C ZINC000050564766 369441334 /nfs/dbraw/zinc/44/13/34/369441334.db2.gz XCMIHYIPUIXIHC-ZIAGYGMSSA-N 1 1 258.365 3.057 20 30 CGEDMO C[C@@H]1[C@@H](C)CCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000050564767 369441874 /nfs/dbraw/zinc/44/18/74/369441874.db2.gz XCMIHYIPUIXIHC-UONOGXRCSA-N 1 1 258.365 3.057 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCC(=O)Nc1ccc(F)cc1 ZINC000051559857 369449311 /nfs/dbraw/zinc/44/93/11/369449311.db2.gz CRBBDLOJHNWPTE-UHFFFAOYSA-N 1 1 264.344 3.052 20 30 CGEDMO C=CCC[N@H+](C)Cc1cn(C)nc1-c1ccccc1 ZINC000276174272 193233767 /nfs/dbraw/zinc/23/37/67/193233767.db2.gz TTZOPXOFVLEWLW-UHFFFAOYSA-N 1 1 255.365 3.095 20 30 CGEDMO C#CC[N@@H+](Cc1cnoc1C)[C@H]1CCc2ccccc21 ZINC000128350858 370962259 /nfs/dbraw/zinc/96/22/59/370962259.db2.gz BKWWQSBHAFMEAL-KRWDZBQOSA-N 1 1 266.344 3.106 20 30 CGEDMO C#CC[N@H+](Cc1cnoc1C)[C@H]1CCc2ccccc21 ZINC000128350858 370962264 /nfs/dbraw/zinc/96/22/64/370962264.db2.gz BKWWQSBHAFMEAL-KRWDZBQOSA-N 1 1 266.344 3.106 20 30 CGEDMO C[C@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000055386550 369516584 /nfs/dbraw/zinc/51/65/84/369516584.db2.gz QGHSUZUQWUMEQS-BBRMVZONSA-N 1 1 285.391 3.007 20 30 CGEDMO C=CCC[N@H+](C)Cc1nnc(-c2ccc(Cl)cc2)o1 ZINC000276339040 193292411 /nfs/dbraw/zinc/29/24/11/193292411.db2.gz CDCIJEBDYVXYGI-UHFFFAOYSA-N 1 1 277.755 3.398 20 30 CGEDMO C=CCC[N@@H+](C)Cc1nc(-c2ccc(OCC)cc2)no1 ZINC000276359906 193299683 /nfs/dbraw/zinc/29/96/83/193299683.db2.gz FTRBTGDBUOWYAA-UHFFFAOYSA-N 1 1 287.363 3.143 20 30 CGEDMO C=CCC[N@H+](C)Cc1nc(-c2ccc(OCC)cc2)no1 ZINC000276359906 193299685 /nfs/dbraw/zinc/29/96/85/193299685.db2.gz FTRBTGDBUOWYAA-UHFFFAOYSA-N 1 1 287.363 3.143 20 30 CGEDMO COCC[N@@H+](CCCC(C)(C)C#N)Cc1ccccc1 ZINC000174808628 261196685 /nfs/dbraw/zinc/19/66/85/261196685.db2.gz CCWUNPLKXTWKPK-UHFFFAOYSA-N 1 1 274.408 3.465 20 30 CGEDMO N#Cc1cccc(NC(=O)CC[N@@H+](C2CC2)C2CCCC2)c1 ZINC000072560701 369825295 /nfs/dbraw/zinc/82/52/95/369825295.db2.gz YLOIWQVZOOACMN-UHFFFAOYSA-N 1 1 297.402 3.294 20 30 CGEDMO CC[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075616137 369915846 /nfs/dbraw/zinc/91/58/46/369915846.db2.gz QRRVIUGXSOOYRR-HNNXBMFYSA-N 1 1 296.374 3.373 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000076735300 369941446 /nfs/dbraw/zinc/94/14/46/369941446.db2.gz YEBNNNCJYJNTMJ-ZDUSSCGKSA-N 1 1 294.826 3.243 20 30 CGEDMO CC[C@H](C)C[N@@H+](CC)CCC(=O)Nc1ccc(C#N)cc1 ZINC000093250955 370113541 /nfs/dbraw/zinc/11/35/41/370113541.db2.gz KQZGRTJVOPFVKG-AWEZNQCLSA-N 1 1 287.407 3.255 20 30 CGEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000091081730 370071847 /nfs/dbraw/zinc/07/18/47/370071847.db2.gz QUQDFWCPVWQSCC-INIZCTEOSA-N 1 1 298.365 3.374 20 30 CGEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000091081730 370071850 /nfs/dbraw/zinc/07/18/50/370071850.db2.gz QUQDFWCPVWQSCC-INIZCTEOSA-N 1 1 298.365 3.374 20 30 CGEDMO C[C@@H]1C[C@H](C)CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000091893218 370078381 /nfs/dbraw/zinc/07/83/81/370078381.db2.gz KDJISSJKLNAYLH-ZIAGYGMSSA-N 1 1 282.391 3.074 20 30 CGEDMO C[N@@H+](CCOCc1ccccc1)Cc1cc(C#N)cs1 ZINC000091937105 370084047 /nfs/dbraw/zinc/08/40/47/370084047.db2.gz PNESYPIXZNCANQ-UHFFFAOYSA-N 1 1 286.400 3.268 20 30 CGEDMO C=CC[N@H+](Cc1cnc2cnccn12)CC1CCCCC1 ZINC000093382939 370119940 /nfs/dbraw/zinc/11/99/40/370119940.db2.gz FVBAUIZRLCUTGI-UHFFFAOYSA-N 1 1 284.407 3.298 20 30 CGEDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000093593229 370144380 /nfs/dbraw/zinc/14/43/80/370144380.db2.gz NHEKDYHHYKYDAG-CYBMUJFWSA-N 1 1 282.343 3.149 20 30 CGEDMO Cn1ccnc1C[C@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000097139210 370229077 /nfs/dbraw/zinc/22/90/77/370229077.db2.gz NQJXXUDGFMFLDS-OAHLLOKOSA-N 1 1 288.439 3.005 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000130061578 371010488 /nfs/dbraw/zinc/01/04/88/371010488.db2.gz HSLPHBWXSOCJTM-XJKSGUPXSA-N 1 1 292.448 3.213 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCCCC[C@H]1C ZINC000130471194 371036494 /nfs/dbraw/zinc/03/64/94/371036494.db2.gz FSIAFFZNFWMHDU-CYBMUJFWSA-N 1 1 258.365 3.331 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000135137014 371392704 /nfs/dbraw/zinc/39/27/04/371392704.db2.gz SQIVMEXVXBVHTA-QGPMSJSTSA-N 1 1 290.451 3.064 20 30 CGEDMO Cc1ccnc(NCCC[N@H+](C)C2CCCCC2)c1C#N ZINC000135188340 371400200 /nfs/dbraw/zinc/40/02/00/371400200.db2.gz CUSBNZNRFPYLNI-UHFFFAOYSA-N 1 1 286.423 3.328 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@H]2C2CCC2)cc1C#N ZINC000135037438 371385541 /nfs/dbraw/zinc/38/55/41/371385541.db2.gz ZUUZORINWPIFNH-INIZCTEOSA-N 1 1 270.376 3.331 20 30 CGEDMO Cc1cccc(C)c1NC(=O)CCC[N@H+](C)[C@H](C)CC#N ZINC000138169273 371503565 /nfs/dbraw/zinc/50/35/65/371503565.db2.gz KTXJVMAHQRTBGS-OAHLLOKOSA-N 1 1 287.407 3.256 20 30 CGEDMO CCC1(CC)[C@H]([N@@H+](C)CCCCC#N)C[C@@H]1OC ZINC000140771691 371512115 /nfs/dbraw/zinc/51/21/15/371512115.db2.gz MVCYYKTWKQRMDH-KGLIPLIRSA-N 1 1 252.402 3.206 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000288661614 371742836 /nfs/dbraw/zinc/74/28/36/371742836.db2.gz BQKMVQJBCRYZGO-KRWDZBQOSA-N 1 1 277.383 3.019 20 30 CGEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1ccccc1F ZINC000344127468 217062993 /nfs/dbraw/zinc/06/29/93/217062993.db2.gz STAJILRFABHARC-UHFFFAOYSA-N 1 1 298.361 3.346 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](C3CC3)C2)c1F ZINC000344134814 217065973 /nfs/dbraw/zinc/06/59/73/217065973.db2.gz ZPTRLSXZWZEWFD-CQSZACIVSA-N 1 1 258.340 3.319 20 30 CGEDMO C[N@H+](CCCCC#N)[C@@H]1CCCN(CCCCC#N)CC1 ZINC000156992396 372002855 /nfs/dbraw/zinc/00/28/55/372002855.db2.gz ZYHNLODLSZXAIH-QGZVFWFLSA-N 1 1 290.455 3.160 20 30 CGEDMO C[N@@H+](CCCCC#N)[C@@H]1CCCN(CCCCC#N)CC1 ZINC000156992396 372002860 /nfs/dbraw/zinc/00/28/60/372002860.db2.gz ZYHNLODLSZXAIH-QGZVFWFLSA-N 1 1 290.455 3.160 20 30 CGEDMO C=CC[N@H+](CCC(=O)OC(C)C)Cc1ccccc1 ZINC000157620816 372029254 /nfs/dbraw/zinc/02/92/54/372029254.db2.gz PMMPVJBAPUROJP-UHFFFAOYSA-N 1 1 261.365 3.016 20 30 CGEDMO C[C@@H]1C[C@H](N[C@@H]2CCCCc3cc(C#N)ccc32)CC[NH2+]1 ZINC000423393541 372060797 /nfs/dbraw/zinc/06/07/97/372060797.db2.gz YSHMJTJHBWBREA-MZMPZRCHSA-N 1 1 283.419 3.056 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)s1 ZINC000290894334 372071334 /nfs/dbraw/zinc/07/13/34/372071334.db2.gz LQVOYOKOGXABLF-HUUCEWRRSA-N 1 1 288.416 3.153 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)s1 ZINC000290894334 372071339 /nfs/dbraw/zinc/07/13/39/372071339.db2.gz LQVOYOKOGXABLF-HUUCEWRRSA-N 1 1 288.416 3.153 20 30 CGEDMO C=C[C@H](CC(=O)N[C@H](C)C[N@H+](C)C(C)C)c1ccccc1 ZINC000290968319 372084562 /nfs/dbraw/zinc/08/45/62/372084562.db2.gz SOKLHTUZCXPRPZ-HZPDHXFCSA-N 1 1 288.435 3.191 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000424755851 372097279 /nfs/dbraw/zinc/09/72/79/372097279.db2.gz FSHSZSUEFKOMAS-GJZGRUSLSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cnc2ccc(C)cn12 ZINC000426567829 372165429 /nfs/dbraw/zinc/16/54/29/372165429.db2.gz MIWIYBGUSSBUBW-AWEZNQCLSA-N 1 1 255.365 3.183 20 30 CGEDMO C#C[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291469514 372169048 /nfs/dbraw/zinc/16/90/48/372169048.db2.gz DRTNGMLVBGGPES-ZETCQYMHSA-N 1 1 273.119 3.013 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425555027 372131830 /nfs/dbraw/zinc/13/18/30/372131830.db2.gz YBLVUCZZWPSYGF-HUUCEWRRSA-N 1 1 292.810 3.388 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)CCN1CCc2ccccc21 ZINC000428229976 372182932 /nfs/dbraw/zinc/18/29/32/372182932.db2.gz NVAUPVRLRSPZRC-UHFFFAOYSA-N 1 1 285.435 3.311 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)CCN1CCc2ccccc21 ZINC000428229976 372182939 /nfs/dbraw/zinc/18/29/39/372182939.db2.gz NVAUPVRLRSPZRC-UHFFFAOYSA-N 1 1 285.435 3.311 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(C)c(Br)c1 ZINC000428385911 372187634 /nfs/dbraw/zinc/18/76/34/372187634.db2.gz CBCPXBKZSAGMJW-UHFFFAOYSA-N 1 1 254.171 3.375 20 30 CGEDMO CCCc1nc(C)c(C[N@H+](C)Cc2ccc(C#N)cc2)o1 ZINC000428452419 372205337 /nfs/dbraw/zinc/20/53/37/372205337.db2.gz BDKOOQSTRAOMRX-UHFFFAOYSA-N 1 1 283.375 3.439 20 30 CGEDMO CCCc1nc(C)c(C[N@@H+](C)Cc2ccc(C#N)cc2)o1 ZINC000428452419 372205341 /nfs/dbraw/zinc/20/53/41/372205341.db2.gz BDKOOQSTRAOMRX-UHFFFAOYSA-N 1 1 283.375 3.439 20 30 CGEDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428982551 372296081 /nfs/dbraw/zinc/29/60/81/372296081.db2.gz SVAFJLOQHMFTOJ-HIFRSBDPSA-N 1 1 290.382 3.213 20 30 CGEDMO Cc1ccc2c(C[N@@H+](CCC#N)CC3CC3)ccc(O)c2n1 ZINC000429683426 372375495 /nfs/dbraw/zinc/37/54/95/372375495.db2.gz ITSCBXMUWNRTIU-UHFFFAOYSA-N 1 1 295.386 3.375 20 30 CGEDMO CCOc1ccc(C[N@@H+](C)[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000429724280 372377088 /nfs/dbraw/zinc/37/70/88/372377088.db2.gz WNFRDMJWWRQURN-CABCVRRESA-N 1 1 258.365 3.209 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)[C@@H]1CCc2ccc(F)cc21 ZINC000429719437 372377648 /nfs/dbraw/zinc/37/76/48/372377648.db2.gz CARDESQCJIZNGV-QGZVFWFLSA-N 1 1 276.399 3.253 20 30 CGEDMO C=CC[N@@H+](C)CCN(CC)[C@@H]1CCc2ccc(F)cc21 ZINC000429719437 372377650 /nfs/dbraw/zinc/37/76/50/372377650.db2.gz CARDESQCJIZNGV-QGZVFWFLSA-N 1 1 276.399 3.253 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)[C@@H]1CCc2ccc(F)cc21 ZINC000429719437 372377653 /nfs/dbraw/zinc/37/76/53/372377653.db2.gz CARDESQCJIZNGV-QGZVFWFLSA-N 1 1 276.399 3.253 20 30 CGEDMO C=CCC(C)(C)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000429858964 372379979 /nfs/dbraw/zinc/37/99/79/372379979.db2.gz OLUUTKXZSCZJSE-GASCZTMLSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CC[N@@H+](CCC#N)C[C@@H](C)Cc1ccc(OC)c(F)c1 ZINC000430097784 372384403 /nfs/dbraw/zinc/38/44/03/372384403.db2.gz HUMLYPPMRVHUKS-AWEZNQCLSA-N 1 1 290.382 3.415 20 30 CGEDMO C=CC[N@H+](CCC#N)C[C@@H](C)Cc1ccc(OC)c(F)c1 ZINC000430097784 372384404 /nfs/dbraw/zinc/38/44/04/372384404.db2.gz HUMLYPPMRVHUKS-AWEZNQCLSA-N 1 1 290.382 3.415 20 30 CGEDMO Cc1noc(C)c1CC[N@@H+](CCC#N)CCC(C)C ZINC000166248959 372568493 /nfs/dbraw/zinc/56/84/93/372568493.db2.gz XNHQVLMWQZENMU-UHFFFAOYSA-N 1 1 263.385 3.096 20 30 CGEDMO Cc1noc(C)c1CC[N@H+](CCC#N)CCC(C)C ZINC000166248959 372568498 /nfs/dbraw/zinc/56/84/98/372568498.db2.gz XNHQVLMWQZENMU-UHFFFAOYSA-N 1 1 263.385 3.096 20 30 CGEDMO Cc1cnc(C[NH2+][C@H](CCCC#N)c2ccccc2)nc1 ZINC000433023238 372577799 /nfs/dbraw/zinc/57/77/99/372577799.db2.gz OBKAAAOJRZEJRX-MRXNPFEDSA-N 1 1 280.375 3.310 20 30 CGEDMO Cc1nc([C@@](C)([NH2+]CCCCC(C)(C)C#N)C2CC2)no1 ZINC000433299593 372585697 /nfs/dbraw/zinc/58/56/97/372585697.db2.gz BZJDPOXDTHPVPX-INIZCTEOSA-N 1 1 290.411 3.313 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1ccccc1Cl)CC(C)(C)C#N ZINC000433326274 372593548 /nfs/dbraw/zinc/59/35/48/372593548.db2.gz MXPGHSVUMNUPOR-UHFFFAOYSA-N 1 1 293.798 3.150 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000168921313 372623697 /nfs/dbraw/zinc/62/36/97/372623697.db2.gz LPMPHVKDHXSFFP-UHFFFAOYSA-N 1 1 274.261 3.484 20 30 CGEDMO COc1ccc(C[NH2+]Cc2ccc(C#N)s2)c(F)c1 ZINC000344639328 217257961 /nfs/dbraw/zinc/25/79/61/217257961.db2.gz LIDFMJNDRPHLMH-UHFFFAOYSA-N 1 1 276.336 3.057 20 30 CGEDMO N#CCC[N@@H+](Cc1c[nH]nc1-c1ccsc1)CC1CC1 ZINC000438124768 372893614 /nfs/dbraw/zinc/89/36/14/372893614.db2.gz GMXSUMZUQLNKOU-UHFFFAOYSA-N 1 1 286.404 3.264 20 30 CGEDMO N#CCC[N@H+](Cc1c[nH]nc1-c1ccsc1)CC1CC1 ZINC000438124768 372893617 /nfs/dbraw/zinc/89/36/17/372893617.db2.gz GMXSUMZUQLNKOU-UHFFFAOYSA-N 1 1 286.404 3.264 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cc(F)cc2c1OCOC2 ZINC000172175887 372918066 /nfs/dbraw/zinc/91/80/66/372918066.db2.gz AWPREDZLMJAFIU-UHFFFAOYSA-N 1 1 265.328 3.090 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)Nc1cc(C)ccc1C ZINC000172237743 372929150 /nfs/dbraw/zinc/92/91/50/372929150.db2.gz HSKZJQUQMQXVGG-UHFFFAOYSA-N 1 1 260.381 3.140 20 30 CGEDMO N#CCC[C@@H](Nc1[nH+]cnc2[nH]ccc21)c1ccccc1 ZINC000439100579 372974548 /nfs/dbraw/zinc/97/45/48/372974548.db2.gz OGJKAWYZDJMFKS-CQSZACIVSA-N 1 1 277.331 3.415 20 30 CGEDMO C=CCCCCC[N@@H+](C)Cc1ncc(Cl)n1C ZINC000172654353 373006253 /nfs/dbraw/zinc/00/62/53/373006253.db2.gz SFFYNBAFOQFCOB-UHFFFAOYSA-N 1 1 255.793 3.252 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1ncc(Cl)n1C ZINC000172654353 373006262 /nfs/dbraw/zinc/00/62/62/373006262.db2.gz SFFYNBAFOQFCOB-UHFFFAOYSA-N 1 1 255.793 3.252 20 30 CGEDMO C=CC[N@H+](CCC(=O)N1CCC[C@H]1C)CC1CCCCC1 ZINC000441397968 373008598 /nfs/dbraw/zinc/00/85/98/373008598.db2.gz XLFAWWRENQEZTP-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@H]1C ZINC000441441941 373012517 /nfs/dbraw/zinc/01/25/17/373012517.db2.gz CIJZTWTXJIIKCZ-OLZOCXBDSA-N 1 1 296.374 3.229 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000296080251 373017297 /nfs/dbraw/zinc/01/72/97/373017297.db2.gz PFXKSPSWXIZGMY-CJNGLKHVSA-N 1 1 272.392 3.102 20 30 CGEDMO CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000296098181 373021635 /nfs/dbraw/zinc/02/16/35/373021635.db2.gz UEQDKEGWPCUWJG-QWHCGFSZSA-N 1 1 268.364 3.186 20 30 CGEDMO C[C@@H]1Cc2ccccc2C[N@H+]1CCCSCC#N ZINC000173899608 373214512 /nfs/dbraw/zinc/21/45/12/373214512.db2.gz REGSUBUNELQNJB-CYBMUJFWSA-N 1 1 260.406 3.080 20 30 CGEDMO C=CC[C@H]1N(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CCCC1(C)C ZINC000444641489 373219628 /nfs/dbraw/zinc/21/96/28/373219628.db2.gz VDMUWVJEBCTJAP-OWCLPIDISA-N 1 1 292.467 3.453 20 30 CGEDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000444778800 373272527 /nfs/dbraw/zinc/27/25/27/373272527.db2.gz WMELFVHEYYCFBD-INIZCTEOSA-N 1 1 292.810 3.339 20 30 CGEDMO C=CC[C@H]1[N@H+](Cc2cccc(C(N)=O)c2)CCCC1(C)C ZINC000444783191 373274212 /nfs/dbraw/zinc/27/42/12/373274212.db2.gz KHNKVQKKJSWOCS-MRXNPFEDSA-N 1 1 286.419 3.352 20 30 CGEDMO C=CC[C@@H]1[N@H+](Cc2cccc(C(N)=O)c2)CCCC1(C)C ZINC000444783189 373274757 /nfs/dbraw/zinc/27/47/57/373274757.db2.gz KHNKVQKKJSWOCS-INIZCTEOSA-N 1 1 286.419 3.352 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCCC2(CCCC2)C1 ZINC000445856069 373316418 /nfs/dbraw/zinc/31/64/18/373316418.db2.gz BWMNKNVPAOJEAH-INIZCTEOSA-N 1 1 290.451 3.232 20 30 CGEDMO C[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)CC(C)(C)CCC#N ZINC000447066279 373398588 /nfs/dbraw/zinc/39/85/88/373398588.db2.gz JOMATUTXIOJZCV-UHFFFAOYSA-N 1 1 276.428 3.469 20 30 CGEDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1C[C@H](C#N)CCC#N ZINC000175605261 373491192 /nfs/dbraw/zinc/49/11/92/373491192.db2.gz ZBPOWXRRBRKEAI-HLLBOEOZSA-N 1 1 267.376 3.308 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000299375336 373522498 /nfs/dbraw/zinc/52/24/98/373522498.db2.gz LZNHXTWBJSMCBS-HNAYVOBHSA-N 1 1 294.398 3.155 20 30 CGEDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000176853734 373636123 /nfs/dbraw/zinc/63/61/23/373636123.db2.gz BYMFJBIMKNBVPT-CQSZACIVSA-N 1 1 280.371 3.327 20 30 CGEDMO COc1cc(C[N@@H+](C)CCCC(C)(C)C#N)ccc1O ZINC000177053012 373651841 /nfs/dbraw/zinc/65/18/41/373651841.db2.gz ZDSOGVCWGCTAGN-UHFFFAOYSA-N 1 1 276.380 3.163 20 30 CGEDMO C[C@H](CNc1snc(Cl)c1C#N)[N@H+]1CCC[C@H](C)C1 ZINC000301119618 373667739 /nfs/dbraw/zinc/66/77/39/373667739.db2.gz RUOADDLVLZVATO-VHSXEESVSA-N 1 1 298.843 3.200 20 30 CGEDMO C[C@H](CNc1snc(Cl)c1C#N)[N@H+]1CCC[C@@H](C)C1 ZINC000301119615 373667873 /nfs/dbraw/zinc/66/78/73/373667873.db2.gz RUOADDLVLZVATO-NXEZZACHSA-N 1 1 298.843 3.200 20 30 CGEDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)Nc1cccc(F)c1C#N ZINC000301137619 373673720 /nfs/dbraw/zinc/67/37/20/373673720.db2.gz CVRHXZBAWLUCJI-CHWSQXEVSA-N 1 1 275.371 3.230 20 30 CGEDMO C[C@@H](CNc1ccc(C#N)cc1F)[N@H+]1CCC[C@@H](C)C1 ZINC000301153022 373676802 /nfs/dbraw/zinc/67/68/02/373676802.db2.gz QAGPEQMXBPQPIP-OLZOCXBDSA-N 1 1 275.371 3.230 20 30 CGEDMO C[N@@H+](CCNc1cccc(F)c1C#N)C1CCCCC1 ZINC000301166798 373681081 /nfs/dbraw/zinc/68/10/81/373681081.db2.gz VSAFPXCRGUNOBJ-UHFFFAOYSA-N 1 1 275.371 3.374 20 30 CGEDMO C=CCc1cc(C[N@@H+]2CCC[C@](C)(F)C2)cc(OC)c1O ZINC000449353271 373682985 /nfs/dbraw/zinc/68/29/85/373682985.db2.gz ZNCIMHZGFXRVNL-KRWDZBQOSA-N 1 1 293.382 3.453 20 30 CGEDMO C=CCc1cc(C[N@H+]2CCC[C@](C)(F)C2)cc(OC)c1O ZINC000449353271 373682990 /nfs/dbraw/zinc/68/29/90/373682990.db2.gz ZNCIMHZGFXRVNL-KRWDZBQOSA-N 1 1 293.382 3.453 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H](C)C2)c1C ZINC000301764619 373802848 /nfs/dbraw/zinc/80/28/48/373802848.db2.gz RCKMGKTWRLXQRB-CYBMUJFWSA-N 1 1 274.408 3.206 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@@H](C)C2)c1C ZINC000301764619 373802855 /nfs/dbraw/zinc/80/28/55/373802855.db2.gz RCKMGKTWRLXQRB-CYBMUJFWSA-N 1 1 274.408 3.206 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@]3(CCSC3)C2)c(F)c1 ZINC000449732066 373858220 /nfs/dbraw/zinc/85/82/20/373858220.db2.gz KSUHBPQHSAHMBU-MRXNPFEDSA-N 1 1 290.407 3.416 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)Cc1cc(F)ccc1O ZINC000180077315 373963889 /nfs/dbraw/zinc/96/38/89/373963889.db2.gz UKFASCSUEKNADM-UHFFFAOYSA-N 1 1 264.344 3.293 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)Cc1cc(F)ccc1O ZINC000180077315 373963895 /nfs/dbraw/zinc/96/38/95/373963895.db2.gz UKFASCSUEKNADM-UHFFFAOYSA-N 1 1 264.344 3.293 20 30 CGEDMO N#CC1(C[N@H+]2CCC[C@H]2Cc2ccccc2)CCC1 ZINC000450225828 374008742 /nfs/dbraw/zinc/00/87/42/374008742.db2.gz HNOMDPBZNRBTTH-INIZCTEOSA-N 1 1 254.377 3.387 20 30 CGEDMO N#CCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000180135340 373968160 /nfs/dbraw/zinc/96/81/60/373968160.db2.gz WULGPUKEXMVQQY-YQQQUEKLSA-N 1 1 297.446 3.465 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CCCCC1 ZINC000450102227 373988728 /nfs/dbraw/zinc/98/87/28/373988728.db2.gz DTUNOYYDAHYMOP-GDBMZVCRSA-N 1 1 290.451 3.112 20 30 CGEDMO N#Cc1ccc(C[N@H+](CC2(C#N)CCC2)C2CC2)cc1 ZINC000450303338 374049380 /nfs/dbraw/zinc/04/93/80/374049380.db2.gz ZNVUGWDQHPFHMN-UHFFFAOYSA-N 1 1 265.360 3.217 20 30 CGEDMO N#Cc1ccc(C[N@@H+](CC2(C#N)CCC2)C2CC2)cc1 ZINC000450303338 374049385 /nfs/dbraw/zinc/04/93/85/374049385.db2.gz ZNVUGWDQHPFHMN-UHFFFAOYSA-N 1 1 265.360 3.217 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@H]1CO ZINC000305699597 374099747 /nfs/dbraw/zinc/09/97/47/374099747.db2.gz BEGDBYLJKICILY-YOEHRIQHSA-N 1 1 286.419 3.081 20 30 CGEDMO C=CC[N@@H+](CCO[C@@H]1CCCCO1)Cc1ccccc1F ZINC000181653541 374149366 /nfs/dbraw/zinc/14/93/66/374149366.db2.gz WPCCUXIKLQRONJ-QGZVFWFLSA-N 1 1 293.382 3.357 20 30 CGEDMO C=CC[N@H+](CCO[C@@H]1CCCCO1)Cc1ccccc1F ZINC000181653541 374149380 /nfs/dbraw/zinc/14/93/80/374149380.db2.gz WPCCUXIKLQRONJ-QGZVFWFLSA-N 1 1 293.382 3.357 20 30 CGEDMO C=C(C)C[NH2+][C@@H](CO)c1c(Cl)cccc1Cl ZINC000309413689 374183443 /nfs/dbraw/zinc/18/34/43/374183443.db2.gz YKGCLUAAHGZICW-NSHDSACASA-N 1 1 260.164 3.193 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)CCCCC1 ZINC000450790523 374179503 /nfs/dbraw/zinc/17/95/03/374179503.db2.gz HJVBZJKLGYOLSU-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO CCCC[N@H+](CC#Cc1cccc(Cl)c1)CCCO ZINC000182136947 374225169 /nfs/dbraw/zinc/22/51/69/374225169.db2.gz SWVHHOGNPGBJDN-UHFFFAOYSA-N 1 1 279.811 3.176 20 30 CGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000317696651 374340053 /nfs/dbraw/zinc/34/00/53/374340053.db2.gz CQRFFOSHUXSJAI-DZGCQCFKSA-N 1 1 299.418 3.253 20 30 CGEDMO C[C@@H]1CN(Cc2ccccc2)CC[N@@H+](CCCCC#N)C1 ZINC000323803611 374354336 /nfs/dbraw/zinc/35/43/36/374354336.db2.gz JQPWJAXJLAKONW-KRWDZBQOSA-N 1 1 285.435 3.134 20 30 CGEDMO C[C@H]1CN(CCCCC#N)CC[N@H+](Cc2ccccc2)C1 ZINC000323803611 374354342 /nfs/dbraw/zinc/35/43/42/374354342.db2.gz JQPWJAXJLAKONW-KRWDZBQOSA-N 1 1 285.435 3.134 20 30 CGEDMO C[C@H]1CN(CCCCC#N)CC[N@@H+](Cc2ccccc2)C1 ZINC000323803611 374354347 /nfs/dbraw/zinc/35/43/47/374354347.db2.gz JQPWJAXJLAKONW-KRWDZBQOSA-N 1 1 285.435 3.134 20 30 CGEDMO C[C@@H](c1ccncc1)[N@H+](C)Cc1cc(C#N)cs1 ZINC000183704889 374444069 /nfs/dbraw/zinc/44/40/69/374444069.db2.gz NQJAATGSRSAXQS-NSHDSACASA-N 1 1 257.362 3.208 20 30 CGEDMO C[C@@H](c1ccncc1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000183704889 374444074 /nfs/dbraw/zinc/44/40/74/374444074.db2.gz NQJAATGSRSAXQS-NSHDSACASA-N 1 1 257.362 3.208 20 30 CGEDMO CC[C@@H]1C[N@@H+](CCCCC#N)CCN1Cc1ccccc1 ZINC000183746563 374448640 /nfs/dbraw/zinc/44/86/40/374448640.db2.gz FHADCYKFYKOROU-GOSISDBHSA-N 1 1 285.435 3.277 20 30 CGEDMO CC[C@@H]1CN(CCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000183746563 374448645 /nfs/dbraw/zinc/44/86/45/374448645.db2.gz FHADCYKFYKOROU-GOSISDBHSA-N 1 1 285.435 3.277 20 30 CGEDMO CC[C@@H]1CN(CCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000183746563 374448652 /nfs/dbraw/zinc/44/86/52/374448652.db2.gz FHADCYKFYKOROU-GOSISDBHSA-N 1 1 285.435 3.277 20 30 CGEDMO Cc1cc(C)c([NH+]=C([O-])N[C@@H]2CCn3cc[nH+]c3C2)c(C)c1 ZINC000330245025 374450976 /nfs/dbraw/zinc/45/09/76/374450976.db2.gz KNBQJZDXLXXEKF-CQSZACIVSA-N 1 1 298.390 3.149 20 30 CGEDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000332157503 374556961 /nfs/dbraw/zinc/55/69/61/374556961.db2.gz UQCXJFKHZIPWOX-IUODEOHRSA-N 1 1 296.374 3.229 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000185283321 374628882 /nfs/dbraw/zinc/62/88/82/374628882.db2.gz GPVBWRCFJFONAN-OAHLLOKOSA-N 1 1 288.435 3.357 20 30 CGEDMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000185598392 374695147 /nfs/dbraw/zinc/69/51/47/374695147.db2.gz XUAQLYHHXNGUAY-DOMZBBRYSA-N 1 1 296.374 3.229 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(O)cc(F)c1 ZINC000186180290 374810727 /nfs/dbraw/zinc/81/07/27/374810727.db2.gz GHASNMVFMYPOSZ-UHFFFAOYSA-N 1 1 270.307 3.035 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(O)cc(F)c1 ZINC000186180290 374810731 /nfs/dbraw/zinc/81/07/31/374810731.db2.gz GHASNMVFMYPOSZ-UHFFFAOYSA-N 1 1 270.307 3.035 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000185952561 374773341 /nfs/dbraw/zinc/77/33/41/374773341.db2.gz NTOODXMYYXNTDV-USXIJHARSA-N 1 1 286.419 3.150 20 30 CGEDMO C[C@H]1Oc2cc(F)ccc2[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000334582759 374882925 /nfs/dbraw/zinc/88/29/25/374882925.db2.gz OIYUTCQKEJZVID-PSLIRLAXSA-N 1 1 288.347 3.371 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000470774961 374998946 /nfs/dbraw/zinc/99/89/46/374998946.db2.gz VRDBCNKIPXPKFE-RDJZCZTQSA-N 1 1 259.393 3.457 20 30 CGEDMO C=CCOCCC[N@H+](C)CCOc1ccccc1Cl ZINC000470722309 374999116 /nfs/dbraw/zinc/99/91/16/374999116.db2.gz IJTMSKAOOGFXSJ-UHFFFAOYSA-N 1 1 283.799 3.243 20 30 CGEDMO C=CCCCCNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000471696706 375006004 /nfs/dbraw/zinc/00/60/04/375006004.db2.gz JGMIZPNXAZVHPL-QGZVFWFLSA-N 1 1 286.419 3.124 20 30 CGEDMO C=C(C)[C@@H]([NH2+]Cc1ccnn1C)c1ccc(F)c(F)c1 ZINC000187370177 375010760 /nfs/dbraw/zinc/01/07/60/375010760.db2.gz NFNUMCQXVCXAEA-OAHLLOKOSA-N 1 1 277.318 3.105 20 30 CGEDMO C[N@H+](Cc1ccc(Cl)cc1C#N)CC1CCOCC1 ZINC000187387444 375014685 /nfs/dbraw/zinc/01/46/85/375014685.db2.gz RONUATOBHQAPSP-UHFFFAOYSA-N 1 1 278.783 3.070 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000472777919 375034319 /nfs/dbraw/zinc/03/43/19/375034319.db2.gz VBACEGQLDHNFFX-JKSUJKDBSA-N 1 1 251.414 3.358 20 30 CGEDMO CC[C@H]1C[N@H+]([C@@H](C)c2cccc(C#N)c2)CCS1 ZINC000187695324 375075576 /nfs/dbraw/zinc/07/55/76/375075576.db2.gz RBMUPXOIKXKFRC-WFASDCNBSA-N 1 1 260.406 3.447 20 30 CGEDMO Cc1ccc2c(c1)nc(C[NH2+]Cc1cccc(C#N)c1)n2C ZINC000187586509 375050586 /nfs/dbraw/zinc/05/05/86/375050586.db2.gz UUYIOTSLLJGBOG-UHFFFAOYSA-N 1 1 290.370 3.043 20 30 CGEDMO C[C@@H]1COc2ccccc2C[N@@H+]1CC#Cc1ccccc1 ZINC000483698363 375183471 /nfs/dbraw/zinc/18/34/71/375183471.db2.gz KXNPESDGRKHWOK-MRXNPFEDSA-N 1 1 277.367 3.321 20 30 CGEDMO C[C@@H]1COc2ccccc2C[N@H+]1CC#Cc1ccccc1 ZINC000483698363 375183474 /nfs/dbraw/zinc/18/34/74/375183474.db2.gz KXNPESDGRKHWOK-MRXNPFEDSA-N 1 1 277.367 3.321 20 30 CGEDMO Cc1cc(CNc2ccc3c(c2)C[N@@H+](C)C3)ccc1C#N ZINC000335223459 375241202 /nfs/dbraw/zinc/24/12/02/375241202.db2.gz GDNNJVONEUDKSK-UHFFFAOYSA-N 1 1 277.371 3.424 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](c3ccncc3)C2)c1F ZINC000335234529 375251710 /nfs/dbraw/zinc/25/17/10/375251710.db2.gz APJCATMFYCVCCK-INIZCTEOSA-N 1 1 295.361 3.472 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000484077670 375186788 /nfs/dbraw/zinc/18/67/88/375186788.db2.gz WJJVDCWXBGSKCD-WSTZPKSXSA-N 1 1 296.458 3.375 20 30 CGEDMO CCCCC[C@@H]1CCC[N@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000486798486 375198055 /nfs/dbraw/zinc/19/80/55/375198055.db2.gz CPPFELQFEUHZQO-WBVHZDCISA-N 1 1 293.455 3.086 20 30 CGEDMO C[C@]1(c2ccccc2)CC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000335182075 375206951 /nfs/dbraw/zinc/20/69/51/375206951.db2.gz VMIWCXAYSQNZHI-INIZCTEOSA-N 1 1 283.400 3.178 20 30 CGEDMO C[C@]1(c2ccccc2)CC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000335182075 375206957 /nfs/dbraw/zinc/20/69/57/375206957.db2.gz VMIWCXAYSQNZHI-INIZCTEOSA-N 1 1 283.400 3.178 20 30 CGEDMO C[C@@H]1CC(C)(C)C[N@H+]1[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000335188705 375210452 /nfs/dbraw/zinc/21/04/52/375210452.db2.gz IBQCFCMMUHHJOO-BXUZGUMPSA-N 1 1 271.364 3.255 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3cccnc3)C2)c(F)c1 ZINC000335420740 375278404 /nfs/dbraw/zinc/27/84/04/375278404.db2.gz SOFWZLXCIQBZLR-OAHLLOKOSA-N 1 1 281.334 3.082 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000487916122 375284605 /nfs/dbraw/zinc/28/46/05/375284605.db2.gz PZQGPWKYPJCEOY-NEPJUHHUSA-N 1 1 265.319 3.120 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@H](OCC3CC3)C2)ccc1C#N ZINC000488079051 375305771 /nfs/dbraw/zinc/30/57/71/375305771.db2.gz KBYGDVWGSAYWKU-SFHVURJKSA-N 1 1 284.403 3.258 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000335843057 375475999 /nfs/dbraw/zinc/47/59/99/375475999.db2.gz BRUGLGXFULTBLV-QGZVFWFLSA-N 1 1 288.366 3.090 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000335843057 375476004 /nfs/dbraw/zinc/47/60/04/375476004.db2.gz BRUGLGXFULTBLV-QGZVFWFLSA-N 1 1 288.366 3.090 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)C/C(C)=C\c1ccccc1 ZINC000494232991 375486146 /nfs/dbraw/zinc/48/61/46/375486146.db2.gz FHDXKOYZCOFSKZ-MLRPBERTSA-N 1 1 259.393 3.349 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000494485578 375488749 /nfs/dbraw/zinc/48/87/49/375488749.db2.gz LWDUFPISPMMSKL-CQSZACIVSA-N 1 1 282.428 3.189 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000495654583 375499112 /nfs/dbraw/zinc/49/91/12/375499112.db2.gz FJCQHNNVDGOIAY-CYBMUJFWSA-N 1 1 274.364 3.212 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@H]3CCCCO3)CC2)cc1 ZINC000335970437 375581528 /nfs/dbraw/zinc/58/15/28/375581528.db2.gz FHARJLDAGRWQPG-GOSISDBHSA-N 1 1 282.387 3.216 20 30 CGEDMO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191312750 375609093 /nfs/dbraw/zinc/60/90/93/375609093.db2.gz UVQBRZAIBDESHY-KRWDZBQOSA-N 1 1 295.386 3.242 20 30 CGEDMO CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000191669691 375649072 /nfs/dbraw/zinc/64/90/72/375649072.db2.gz KNZVHAQUUHMYGQ-QGZVFWFLSA-N 1 1 290.382 3.070 20 30 CGEDMO C[C@H]1C[C@]1([NH2+]CC1(C#N)CC1)c1ccc(Cl)cc1 ZINC000503378239 375650094 /nfs/dbraw/zinc/65/00/94/375650094.db2.gz SAUVAUBQCMLBEE-XHDPSFHLSA-N 1 1 260.768 3.468 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H](CC)C(=O)OCC ZINC000191672274 375652014 /nfs/dbraw/zinc/65/20/14/375652014.db2.gz DNLGSNQGTYYIHB-INIZCTEOSA-N 1 1 288.391 3.112 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H](CC)C(=O)OCC ZINC000191672274 375652017 /nfs/dbraw/zinc/65/20/17/375652017.db2.gz DNLGSNQGTYYIHB-INIZCTEOSA-N 1 1 288.391 3.112 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000121220870 542017228 /nfs/dbraw/zinc/01/72/28/542017228.db2.gz BLARJMUWMMOUGE-HNNXBMFYSA-N 1 1 297.402 3.354 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccc(OC(F)F)c(F)c1 ZINC000191756805 375659479 /nfs/dbraw/zinc/65/94/79/375659479.db2.gz UPXYVGPIQRLMLG-UHFFFAOYSA-N 1 1 289.297 3.062 20 30 CGEDMO CN(CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(C#N)c(F)c1 ZINC000192043491 375691502 /nfs/dbraw/zinc/69/15/02/375691502.db2.gz FJSOHMMQHNPBHO-INIZCTEOSA-N 1 1 289.398 3.004 20 30 CGEDMO N#Cc1ccc(C[N@H+](Cc2cccnc2)C2CC2)cc1F ZINC000192133539 375700472 /nfs/dbraw/zinc/70/04/72/375700472.db2.gz ULDVDFHMDMATAE-UHFFFAOYSA-N 1 1 281.334 3.257 20 30 CGEDMO N#Cc1ccc(C[N@@H+](Cc2cccnc2)C2CC2)cc1F ZINC000192133539 375700478 /nfs/dbraw/zinc/70/04/78/375700478.db2.gz ULDVDFHMDMATAE-UHFFFAOYSA-N 1 1 281.334 3.257 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c(Cl)c1 ZINC000336159191 375735241 /nfs/dbraw/zinc/73/52/41/375735241.db2.gz OSECVPXRDKSUEA-HIFRSBDPSA-N 1 1 290.794 3.070 20 30 CGEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1nnc2ccccn21 ZINC000192738777 375784907 /nfs/dbraw/zinc/78/49/07/375784907.db2.gz SIRXAGKRTOPKGL-QWHCGFSZSA-N 1 1 291.358 3.013 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000508708668 375759429 /nfs/dbraw/zinc/75/94/29/375759429.db2.gz CUMCKLILVYHLGY-GJZGRUSLSA-N 1 1 286.419 3.251 20 30 CGEDMO C=C(C)C[N@@H+](CCc1ccccc1)Cc1ccc(CO)o1 ZINC000512145172 375794041 /nfs/dbraw/zinc/79/40/41/375794041.db2.gz CMWGWFHIKXXPDZ-UHFFFAOYSA-N 1 1 285.387 3.393 20 30 CGEDMO Cn1cc(C[N@H+]2CCCC[C@@H]2c2ccco2)cc1C#N ZINC000336544405 375820925 /nfs/dbraw/zinc/82/09/25/375820925.db2.gz IBRKLIWBSMHNBH-OAHLLOKOSA-N 1 1 269.348 3.217 20 30 CGEDMO C=CCC[C@H]([NH2+]Cc1ncnn1CC)c1ccccc1 ZINC000193519444 375890418 /nfs/dbraw/zinc/89/04/18/375890418.db2.gz CAXOZGBIILPBMF-HNNXBMFYSA-N 1 1 270.380 3.095 20 30 CGEDMO CCCC[C@@H](C)[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000336850782 376011466 /nfs/dbraw/zinc/01/14/66/376011466.db2.gz ZEXYMOMUNZVJPQ-CQSZACIVSA-N 1 1 287.407 3.397 20 30 CGEDMO C[N@H+]1CCC[C@@H]1CCN1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000336858419 376014874 /nfs/dbraw/zinc/01/48/74/376014874.db2.gz YUNUIJSBIRATQL-QYZOEREBSA-N 1 1 297.446 3.242 20 30 CGEDMO C[N@H+]1CCC[C@@H]1CCN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000336858416 376015257 /nfs/dbraw/zinc/01/52/57/376015257.db2.gz YUNUIJSBIRATQL-CEXWTWQISA-N 1 1 297.446 3.242 20 30 CGEDMO COc1cccc2c1CC[N@@H+](CC(C)(C)CCC#N)CC2 ZINC000194573228 376020031 /nfs/dbraw/zinc/02/00/31/376020031.db2.gz VTHZZDXGCSFGNO-UHFFFAOYSA-N 1 1 286.419 3.426 20 30 CGEDMO C=CCN1CC[C@@H]([N@H+](Cc2ccccc2)CC2CCC2)C1=O ZINC000337140955 376096598 /nfs/dbraw/zinc/09/65/98/376096598.db2.gz RPEQRCBZALEPCO-GOSISDBHSA-N 1 1 298.430 3.076 20 30 CGEDMO N#CC1(CCC[N@H+]2CC[C@@H]2Cc2ccccc2)CCOCC1 ZINC000337168022 376111280 /nfs/dbraw/zinc/11/12/80/376111280.db2.gz CUOZDNGHOMWXKV-GOSISDBHSA-N 1 1 298.430 3.404 20 30 CGEDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000195669925 376116967 /nfs/dbraw/zinc/11/69/67/376116967.db2.gz XTIJREVRJKKELY-RHSMWYFYSA-N 1 1 299.418 3.397 20 30 CGEDMO CC[C@H](C)[N@H+](CCC(C)(C)C#N)CC(=O)OC(C)(C)C ZINC000537365965 376166125 /nfs/dbraw/zinc/16/61/25/376166125.db2.gz HXMSSTIROPDJGK-ZDUSSCGKSA-N 1 1 282.428 3.368 20 30 CGEDMO CC[C@H](C)[N@@H+](CCC(C)(C)C#N)CC(=O)OC(C)(C)C ZINC000537365965 376166131 /nfs/dbraw/zinc/16/61/31/376166131.db2.gz HXMSSTIROPDJGK-ZDUSSCGKSA-N 1 1 282.428 3.368 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000538371418 376236774 /nfs/dbraw/zinc/23/67/74/376236774.db2.gz QHOANZRPSZFKAS-JYJNAYRXSA-N 1 1 295.471 3.245 20 30 CGEDMO C=CC[N@@H+](CC(=O)N[C@H](c1ccccc1)C(C)C)C1CC1 ZINC000538955209 376281597 /nfs/dbraw/zinc/28/15/97/376281597.db2.gz GKWSWPJMDXRUHO-SFHVURJKSA-N 1 1 286.419 3.150 20 30 CGEDMO C=CC[N@H+](CC(=O)N[C@H](c1ccccc1)C(C)C)C1CC1 ZINC000538955209 376281601 /nfs/dbraw/zinc/28/16/01/376281601.db2.gz GKWSWPJMDXRUHO-SFHVURJKSA-N 1 1 286.419 3.150 20 30 CGEDMO CCC(CC)[N@@H+](CCOC)Cc1cccc(C#N)c1F ZINC000223531140 376255425 /nfs/dbraw/zinc/25/54/25/376255425.db2.gz DIYLMYMQSDOQDS-UHFFFAOYSA-N 1 1 278.371 3.334 20 30 CGEDMO COc1ccc([C@H](C)C[N@@H+](C[C@H](C)C#N)C2CC2)cc1 ZINC000539408529 376310105 /nfs/dbraw/zinc/31/01/05/376310105.db2.gz WAUSUKVNOCBOLS-ZIAGYGMSSA-N 1 1 272.392 3.423 20 30 CGEDMO C=CC[N@H+]([C@@H](C)c1cccc(-n2cnnn2)c1)C1CCCC1 ZINC000538967104 376283445 /nfs/dbraw/zinc/28/34/45/376283445.db2.gz XCOMHIDZQXZKIE-AWEZNQCLSA-N 1 1 297.406 3.154 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000338562145 376427998 /nfs/dbraw/zinc/42/79/98/376427998.db2.gz BWFYFUYACDXWMY-OAHLLOKOSA-N 1 1 282.391 3.227 20 30 CGEDMO Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCC(CC#N)CC1 ZINC000541019455 376414302 /nfs/dbraw/zinc/41/43/02/376414302.db2.gz IWSCOLDIBFBRTD-UHFFFAOYSA-N 1 1 295.386 3.285 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc(OC)ccc1Br ZINC000338542770 376417669 /nfs/dbraw/zinc/41/76/69/376417669.db2.gz DOTIDHSTEHICEE-UHFFFAOYSA-N 1 1 284.197 3.466 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)cc1C#N ZINC000227238436 376386942 /nfs/dbraw/zinc/38/69/42/376386942.db2.gz RUXDSQRWWLUTFH-OLZOCXBDSA-N 1 1 258.365 3.187 20 30 CGEDMO CC[N@H+](Cc1cc(C#N)ccc1OC)CC1CCC1 ZINC000230316686 376505451 /nfs/dbraw/zinc/50/54/51/376505451.db2.gz OFGARGQJWPPIOF-UHFFFAOYSA-N 1 1 258.365 3.189 20 30 CGEDMO C[C@@H]1C[N@@H+](CCOc2cccc(C#N)c2)[C@@H]2CCCC[C@@H]21 ZINC000542969158 376596920 /nfs/dbraw/zinc/59/69/20/376596920.db2.gz LTCFUYAOYALHSR-ZTFGCOKTSA-N 1 1 284.403 3.448 20 30 CGEDMO COc1ccc(C[N@H+]2C[C@H](C)CC(C)(C)C2)cc1C#N ZINC000543173170 376614680 /nfs/dbraw/zinc/61/46/80/376614680.db2.gz XKJDYRKYOBAGSO-CYBMUJFWSA-N 1 1 272.392 3.435 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@](F)(c3ccccc3F)C2)C1 ZINC000339174265 376726396 /nfs/dbraw/zinc/72/63/96/376726396.db2.gz GJALVHOKAGKWBH-WWGRRREGSA-N 1 1 276.330 3.388 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@](F)(c3ccccc3F)C2)C1 ZINC000339174265 376726404 /nfs/dbraw/zinc/72/64/04/376726404.db2.gz GJALVHOKAGKWBH-WWGRRREGSA-N 1 1 276.330 3.388 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000545421472 376821063 /nfs/dbraw/zinc/82/10/63/376821063.db2.gz ZTHGMQQERLXZHY-CYBMUJFWSA-N 1 1 272.392 3.435 20 30 CGEDMO Cc1cc(C[N@H+]2CCOC[C@@H]2CC2CCC2)ccc1C#N ZINC000339777760 376841872 /nfs/dbraw/zinc/84/18/72/376841872.db2.gz QBZQAEIJJCQCRI-SFHVURJKSA-N 1 1 284.403 3.258 20 30 CGEDMO C[N@H+]1CCN(Cc2ccccc2C(C)(C)C#N)CC1(C)C ZINC000556088955 376859754 /nfs/dbraw/zinc/85/97/54/376859754.db2.gz PQLQZMGQMPBDAF-UHFFFAOYSA-N 1 1 285.435 3.014 20 30 CGEDMO CN1CC[N@H+](Cc2ccccc2C(C)(C)C#N)CC1(C)C ZINC000556088955 376859759 /nfs/dbraw/zinc/85/97/59/376859759.db2.gz PQLQZMGQMPBDAF-UHFFFAOYSA-N 1 1 285.435 3.014 20 30 CGEDMO CN1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)CC1(C)C ZINC000556088955 376859763 /nfs/dbraw/zinc/85/97/63/376859763.db2.gz PQLQZMGQMPBDAF-UHFFFAOYSA-N 1 1 285.435 3.014 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000245863224 376921223 /nfs/dbraw/zinc/92/12/23/376921223.db2.gz LCEBPYXFWDWOIN-GDBMZVCRSA-N 1 1 292.810 3.168 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000245863224 376921229 /nfs/dbraw/zinc/92/12/29/376921229.db2.gz LCEBPYXFWDWOIN-GDBMZVCRSA-N 1 1 292.810 3.168 20 30 CGEDMO CC[N@@H+]1CCCC[C@@H]1CN[C@H](C)c1ccc(C#N)cc1 ZINC000245932254 376938941 /nfs/dbraw/zinc/93/89/41/376938941.db2.gz SNPXBEFHAJCBHR-RHSMWYFYSA-N 1 1 271.408 3.083 20 30 CGEDMO CC[N@H+]1CCCC[C@@H]1CN[C@H](C)c1ccc(C#N)cc1 ZINC000245932254 376938945 /nfs/dbraw/zinc/93/89/45/376938945.db2.gz SNPXBEFHAJCBHR-RHSMWYFYSA-N 1 1 271.408 3.083 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCc2sccc2[C@H]1CC ZINC000245987978 376949821 /nfs/dbraw/zinc/94/98/21/376949821.db2.gz FQNLTCNOXGNFDZ-GXTWGEPZSA-N 1 1 265.422 3.384 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000246025739 376954872 /nfs/dbraw/zinc/95/48/72/376954872.db2.gz ONVRORRVHAYSCS-DLBZAZTESA-N 1 1 277.383 3.160 20 30 CGEDMO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](CC)C(=O)OC(C)(C)C ZINC000561712569 377239683 /nfs/dbraw/zinc/23/96/83/377239683.db2.gz KCGWISQBWPOCRX-YNEHKIRRSA-N 1 1 255.402 3.297 20 30 CGEDMO CC[N@H+]1CC[C@@H](N(C)Cc2cccc(C#N)c2F)C[C@@H]1C ZINC000340921712 377322161 /nfs/dbraw/zinc/32/21/61/377322161.db2.gz WLRRNBDZDMSZMP-XJKSGUPXSA-N 1 1 289.398 3.002 20 30 CGEDMO CC[C@]1(C)CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000563216381 377421544 /nfs/dbraw/zinc/42/15/44/377421544.db2.gz JXFHTUBVQVJFEB-OAHLLOKOSA-N 1 1 273.336 3.088 20 30 CGEDMO Cc1cc(C[NH2+][C@@H](c2ccccc2F)[C@@H](C)O)ccc1C#N ZINC000563255738 377426833 /nfs/dbraw/zinc/42/68/33/377426833.db2.gz NGQBDPZRVBXBCF-FZKQIMNGSA-N 1 1 298.361 3.218 20 30 CGEDMO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H]1CCC[C@@H](C#N)C1 ZINC000248867790 377416699 /nfs/dbraw/zinc/41/66/99/377416699.db2.gz QHLOVRYTKBWRIU-DMRKSPOLSA-N 1 1 277.456 3.025 20 30 CGEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H]1CCC[C@@H](C#N)C1 ZINC000248867790 377416703 /nfs/dbraw/zinc/41/67/03/377416703.db2.gz QHLOVRYTKBWRIU-DMRKSPOLSA-N 1 1 277.456 3.025 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCS[C@H](C)CC1 ZINC000249112854 377466163 /nfs/dbraw/zinc/46/61/63/377466163.db2.gz WAERLXNZCXFCJG-CHWSQXEVSA-N 1 1 260.406 3.447 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000249129234 377467666 /nfs/dbraw/zinc/46/76/66/377467666.db2.gz KOHSJNJWRUVOQN-KSSFIOAISA-N 1 1 294.402 3.146 20 30 CGEDMO CCOC[C@H]1CCC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000249262638 377482562 /nfs/dbraw/zinc/48/25/62/377482562.db2.gz HZZKECYEMZANQL-ZBFHGGJFSA-N 1 1 272.392 3.368 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)C[C@H]1CCCC[C@@H]1O ZINC000566599356 377498866 /nfs/dbraw/zinc/49/88/66/377498866.db2.gz DSLJKPAPQWCIKO-MSOLQXFVSA-N 1 1 273.420 3.268 20 30 CGEDMO C[C@@H]1C[C@H](Nc2ccc(Cl)cc2C#N)CC[N@H+]1C ZINC000090795126 249029774 /nfs/dbraw/zinc/02/97/74/249029774.db2.gz KEHIQCZKEYXSTO-ZWNOBZJWSA-N 1 1 263.772 3.106 20 30 CGEDMO C[C@H]1C[C@H](Nc2ccc(C#N)c(C(F)(F)F)c2)CC[N@H+]1C ZINC000090795363 249030110 /nfs/dbraw/zinc/03/01/10/249030110.db2.gz UOSMPUCBQUAKGW-GXFFZTMASA-N 1 1 297.324 3.472 20 30 CGEDMO C=CC[N@@H+](CC1(C)CC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000572672448 377550670 /nfs/dbraw/zinc/55/06/70/377550670.db2.gz BOEBLBYSOYXAQW-CQSZACIVSA-N 1 1 297.406 3.011 20 30 CGEDMO CCCC[C@@H](C)[N@@H+](C)CCOc1ccc(C#N)cc1OC ZINC000515505880 249213651 /nfs/dbraw/zinc/21/36/51/249213651.db2.gz WLKZOQSYHCDWPS-CQSZACIVSA-N 1 1 290.407 3.456 20 30 CGEDMO C=CC[NH+](CC=C)[C@@H](CN[C@H](C)c1c[nH]nc1C)C(C)C ZINC000180091436 542205550 /nfs/dbraw/zinc/20/55/50/542205550.db2.gz HDJKXIVPIJOPPX-PBHICJAKSA-N 1 1 290.455 3.067 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1F)C[C@@H]1CCCOC1 ZINC000342616526 377691519 /nfs/dbraw/zinc/69/15/19/377691519.db2.gz NBKZVOIIQLUYDU-AWEZNQCLSA-N 1 1 263.356 3.240 20 30 CGEDMO N#Cc1ccc(NC[C@@H]2CCC[N@H+]2C2CCCCC2)cn1 ZINC000574591841 377685792 /nfs/dbraw/zinc/68/57/92/377685792.db2.gz LSYCDJZABYUFBD-KRWDZBQOSA-N 1 1 284.407 3.162 20 30 CGEDMO COCC[C@@H]1CCCC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000342702743 377744699 /nfs/dbraw/zinc/74/46/99/377744699.db2.gz PAFXSCAWCJQBEF-AWEZNQCLSA-N 1 1 290.382 3.336 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OCC ZINC000342730432 377760665 /nfs/dbraw/zinc/76/06/65/377760665.db2.gz KRZISQDEATXOKA-UHFFFAOYSA-N 1 1 264.325 3.001 20 30 CGEDMO C=CCC[N@H+](C)CCOc1ccc(SC)cc1 ZINC000342739972 377767133 /nfs/dbraw/zinc/76/71/33/377767133.db2.gz XPQKHPGJQBXHRO-UHFFFAOYSA-N 1 1 251.395 3.295 20 30 CGEDMO N#CCc1ccc(C[N@@H+]2CCO[C@H](c3cccs3)C2)cc1 ZINC000343617849 378042707 /nfs/dbraw/zinc/04/27/07/378042707.db2.gz UHRSJCKCEVCADY-INIZCTEOSA-N 1 1 298.411 3.388 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCO[C@H](c3cccs3)C2)cc1 ZINC000343617849 378042712 /nfs/dbraw/zinc/04/27/12/378042712.db2.gz UHRSJCKCEVCADY-INIZCTEOSA-N 1 1 298.411 3.388 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000268585969 378077826 /nfs/dbraw/zinc/07/78/26/378077826.db2.gz UQYRBKFAOSFCNF-LSDHHAIUSA-N 1 1 265.784 3.414 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000268602632 378078927 /nfs/dbraw/zinc/07/89/27/378078927.db2.gz XRIUSQDZRWYDTH-KRWDZBQOSA-N 1 1 272.392 3.096 20 30 CGEDMO C[N@@H+](CCCSCC#N)Cc1ccc(Cl)s1 ZINC000266716617 378025935 /nfs/dbraw/zinc/02/59/35/378025935.db2.gz IRROMAXBSCJCIH-UHFFFAOYSA-N 1 1 274.842 3.480 20 30 CGEDMO C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000579114888 378131333 /nfs/dbraw/zinc/13/13/33/378131333.db2.gz GZBCOQOPCGKFMV-IUODEOHRSA-N 1 1 287.363 3.477 20 30 CGEDMO C=CCC(CC=C)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000343928389 378135996 /nfs/dbraw/zinc/13/59/96/378135996.db2.gz BMNRYWYKPJAJOF-LSDHHAIUSA-N 1 1 278.440 3.134 20 30 CGEDMO CC(C)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000343941644 378138549 /nfs/dbraw/zinc/13/85/49/378138549.db2.gz WBVLLTOADIZHPG-KRWDZBQOSA-N 1 1 299.418 3.397 20 30 CGEDMO CC[C@H](C)[C@H](C)[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000268656973 378086839 /nfs/dbraw/zinc/08/68/39/378086839.db2.gz HOXSAEJXYRWVRI-SUNYJGFJSA-N 1 1 286.419 3.491 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)C(C)(C)C)cc1OC ZINC000578894717 378110021 /nfs/dbraw/zinc/11/00/21/378110021.db2.gz VXIQXQOLQVARCM-UHFFFAOYSA-N 1 1 263.381 3.490 20 30 CGEDMO CC[N@@H+](Cc1ccccc1C(C)(C)C#N)CC(C)(C)O ZINC000268944617 378159329 /nfs/dbraw/zinc/15/93/29/378159329.db2.gz CLIZYSHGCSIJEW-UHFFFAOYSA-N 1 1 274.408 3.081 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC2(C1)CCOCC2 ZINC000268990926 378167248 /nfs/dbraw/zinc/16/72/48/378167248.db2.gz RYJUPRHRWNLRFT-UHFFFAOYSA-N 1 1 298.430 3.490 20 30 CGEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1ccc(Cl)cn1 ZINC000582091180 378285866 /nfs/dbraw/zinc/28/58/66/378285866.db2.gz FAPOOPCRZFDVEQ-UHFFFAOYSA-N 1 1 295.814 3.352 20 30 CGEDMO CC[N@@H+](CCCc1cncn1C)[C@H](C)c1ccc(C#N)cc1 ZINC000582189243 378291103 /nfs/dbraw/zinc/29/11/03/378291103.db2.gz KFEHVJUWFSQFHT-OAHLLOKOSA-N 1 1 296.418 3.307 20 30 CGEDMO C=C(Cl)C[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000269627471 378245577 /nfs/dbraw/zinc/24/55/77/378245577.db2.gz PELCSCIRKQPWHV-UHFFFAOYSA-N 1 1 273.767 3.405 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000269627471 378245581 /nfs/dbraw/zinc/24/55/81/378245581.db2.gz PELCSCIRKQPWHV-UHFFFAOYSA-N 1 1 273.767 3.405 20 30 CGEDMO Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CCCC#N ZINC000270093914 378306081 /nfs/dbraw/zinc/30/60/81/378306081.db2.gz AXOJSFQCIWOGMV-HNNXBMFYSA-N 1 1 282.391 3.113 20 30 CGEDMO C#CC[C@@H]([NH2+]Cc1nc(C)cs1)c1ccccc1 ZINC000270148200 378313351 /nfs/dbraw/zinc/31/33/51/378313351.db2.gz CGRJPUKEXXOMPL-CQSZACIVSA-N 1 1 256.374 3.306 20 30 CGEDMO CC(C)(C)C1=CC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000270369237 378341544 /nfs/dbraw/zinc/34/15/44/378341544.db2.gz MKQLSONCJYKQSI-QGZVFWFLSA-N 1 1 284.403 3.270 20 30 CGEDMO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1(C)C ZINC000345878357 378396343 /nfs/dbraw/zinc/39/63/43/378396343.db2.gz GOYSLHKOVPUGKZ-HZPDHXFCSA-N 1 1 290.382 3.333 20 30 CGEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1(C)C ZINC000345878357 378396346 /nfs/dbraw/zinc/39/63/46/378396346.db2.gz GOYSLHKOVPUGKZ-HZPDHXFCSA-N 1 1 290.382 3.333 20 30 CGEDMO CCc1cnc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)s1 ZINC000618742194 378410818 /nfs/dbraw/zinc/41/08/18/378410818.db2.gz SZHNWTIDMHUDLP-OAHLLOKOSA-N 1 1 283.400 3.354 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000270564326 378369795 /nfs/dbraw/zinc/36/97/95/378369795.db2.gz YPFJPMUONUYXOM-CQSZACIVSA-N 1 1 299.349 3.078 20 30 CGEDMO C#CCCC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000271053714 378441742 /nfs/dbraw/zinc/44/17/42/378441742.db2.gz QLSAHHNDNHCCGV-KRWDZBQOSA-N 1 1 283.371 3.229 20 30 CGEDMO CCN(CC)C[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000346130346 378473961 /nfs/dbraw/zinc/47/39/61/378473961.db2.gz MDFXZTCCFQQJLN-OLZOCXBDSA-N 1 1 277.387 3.078 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CCCC2(CCOCC2)C1 ZINC000271157769 378464917 /nfs/dbraw/zinc/46/49/17/378464917.db2.gz CAVPLWALADWYFB-UHFFFAOYSA-N 1 1 299.414 3.091 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000271046225 378436864 /nfs/dbraw/zinc/43/68/64/378436864.db2.gz OESJKYLQIOIJNI-INIZCTEOSA-N 1 1 267.376 3.124 20 30 CGEDMO CC[N@@H+]1CCCC[C@H]1CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271949356 378526699 /nfs/dbraw/zinc/52/66/99/378526699.db2.gz OFHXEOHWCSTXRB-BBRMVZONSA-N 1 1 289.398 3.222 20 30 CGEDMO CC[N@H+]1CCCC[C@H]1CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271949356 378526705 /nfs/dbraw/zinc/52/67/05/378526705.db2.gz OFHXEOHWCSTXRB-BBRMVZONSA-N 1 1 289.398 3.222 20 30 CGEDMO CC[C@@H]1CC[C@@H](C)[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000271455354 378493946 /nfs/dbraw/zinc/49/39/46/378493946.db2.gz DJDKCDIGHYRSDV-HZPDHXFCSA-N 1 1 299.418 3.196 20 30 CGEDMO C=CCCC(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000346587763 378635739 /nfs/dbraw/zinc/63/57/39/378635739.db2.gz NCSINDRXHBUAFO-CVEARBPZSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1c(C)noc1C ZINC000272256481 378597775 /nfs/dbraw/zinc/59/77/75/378597775.db2.gz JEKLRCBJNSLVSQ-UHFFFAOYSA-N 1 1 260.337 3.115 20 30 CGEDMO COCC[N@@H+](CCC(C)(C)C#N)[C@H]1CCC[C@@H]1C ZINC000347161775 378710108 /nfs/dbraw/zinc/71/01/08/378710108.db2.gz SEFXWIWABLASTN-KBPBESRZSA-N 1 1 252.402 3.063 20 30 CGEDMO C=CC[C@H](C)[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272878642 378717439 /nfs/dbraw/zinc/71/74/39/378717439.db2.gz XIPHUXRREXOHDZ-JZXOWHBKSA-N 1 1 272.436 3.451 20 30 CGEDMO CC(C)Oc1ccc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1C#N ZINC000272926166 378724065 /nfs/dbraw/zinc/72/40/65/378724065.db2.gz USFPFBJOJUJONQ-DLBZAZTESA-N 1 1 299.418 3.384 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@@H]1c1nc2ccccc2n1C ZINC000274048200 378769599 /nfs/dbraw/zinc/76/95/99/378769599.db2.gz FRLLMWSNBQHZRY-MRXNPFEDSA-N 1 1 267.376 3.124 20 30 CGEDMO C=CCOCCC[N@H+](C)[C@@H]1CC[C@H](SCC)C1 ZINC000348056379 378770065 /nfs/dbraw/zinc/77/00/65/378770065.db2.gz OGEGMEWCZDKSCG-KGLIPLIRSA-N 1 1 257.443 3.185 20 30 CGEDMO C=CCOCCC[N@H+](C)[C@@H](C)Cc1ccccc1OC ZINC000348060789 378772419 /nfs/dbraw/zinc/77/24/19/378772419.db2.gz RXZMHAYFHARVQS-HNNXBMFYSA-N 1 1 277.408 3.151 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cccc(C(F)F)c1 ZINC000348164839 378819570 /nfs/dbraw/zinc/81/95/70/378819570.db2.gz CDWIIEXTCFCDPF-UHFFFAOYSA-N 1 1 255.308 3.259 20 30 CGEDMO COC[C@H]([NH2+]CC1(CC#N)CC1)c1cccc(Cl)c1F ZINC000348288384 378887966 /nfs/dbraw/zinc/88/79/66/378887966.db2.gz JOYXCYVVGLNOQQ-ZDUSSCGKSA-N 1 1 296.773 3.450 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000274977756 378924283 /nfs/dbraw/zinc/92/42/83/378924283.db2.gz BBFRFKOWZQIPCI-CZUORRHYSA-N 1 1 280.375 3.222 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@@H](c3ccco3)C2)ccc1F ZINC000370433883 379019069 /nfs/dbraw/zinc/01/90/69/379019069.db2.gz PXMHSIMQKHHJTE-CYBMUJFWSA-N 1 1 270.307 3.280 20 30 CGEDMO CCC[N@H+](CCN1CCCCC1)Cc1cc(C#N)cs1 ZINC000348883599 379097653 /nfs/dbraw/zinc/09/76/53/379097653.db2.gz ZMZKHPXVEYXGIE-UHFFFAOYSA-N 1 1 291.464 3.318 20 30 CGEDMO CCC[N@@H+](CCN1CCCCC1)Cc1cc(C#N)cs1 ZINC000348883599 379097669 /nfs/dbraw/zinc/09/76/69/379097669.db2.gz ZMZKHPXVEYXGIE-UHFFFAOYSA-N 1 1 291.464 3.318 20 30 CGEDMO C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000371452350 379161573 /nfs/dbraw/zinc/16/15/73/379161573.db2.gz VHSYXQUVXXHXJV-UHFFFAOYSA-N 1 1 294.439 3.286 20 30 CGEDMO CO[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000371736482 379174469 /nfs/dbraw/zinc/17/44/69/379174469.db2.gz XHSVNACVVRYIIH-INIZCTEOSA-N 1 1 277.795 3.192 20 30 CGEDMO CC(C)[C@H]1CCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000266507378 190261957 /nfs/dbraw/zinc/26/19/57/190261957.db2.gz CIKJZVMUZTUNPD-OAHLLOKOSA-N 1 1 296.374 3.229 20 30 CGEDMO COC(=O)[C@H]1CCCCC[N@H+]1CCCCC(C)(C)C#N ZINC000373117765 379227098 /nfs/dbraw/zinc/22/70/98/379227098.db2.gz KCDXBFJBSVZNMC-CQSZACIVSA-N 1 1 280.412 3.124 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H](C)C1 ZINC000266558502 190267049 /nfs/dbraw/zinc/26/70/49/190267049.db2.gz WONAKSBNHVSFQL-OLZOCXBDSA-N 1 1 296.374 3.229 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](CC(F)(F)F)C2)c(F)c1 ZINC000278934630 194218704 /nfs/dbraw/zinc/21/87/04/194218704.db2.gz XREYIQPXFBGNDT-LLVKDONJSA-N 1 1 286.272 3.472 20 30 CGEDMO C=C(C)C[N@@H+](C)CC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000639572599 379482939 /nfs/dbraw/zinc/48/29/39/379482939.db2.gz RTHLBDXKEXDLPX-TXEJJXNPSA-N 1 1 277.330 3.432 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000639572599 379482945 /nfs/dbraw/zinc/48/29/45/379482945.db2.gz RTHLBDXKEXDLPX-TXEJJXNPSA-N 1 1 277.330 3.432 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000375347613 379493143 /nfs/dbraw/zinc/49/31/43/379493143.db2.gz DXFARRQMBFSBGC-GJZGRUSLSA-N 1 1 264.413 3.350 20 30 CGEDMO C=CC[N@@H+](Cc1cc2c(cc1OC(F)F)OCO2)C1CC1 ZINC000350220473 379529946 /nfs/dbraw/zinc/52/99/46/379529946.db2.gz FQZMPZIYEFMRDY-UHFFFAOYSA-N 1 1 297.301 3.167 20 30 CGEDMO C=CC[N@H+](Cc1cc2c(cc1OC(F)F)OCO2)C1CC1 ZINC000350220473 379529955 /nfs/dbraw/zinc/52/99/55/379529955.db2.gz FQZMPZIYEFMRDY-UHFFFAOYSA-N 1 1 297.301 3.167 20 30 CGEDMO C=CC[N@H+](Cc1cc(OC)cc2c1O[C@@H](C)C2)C1CC1 ZINC000350316697 379538437 /nfs/dbraw/zinc/53/84/37/379538437.db2.gz KUBINNXUNOWRHT-LBPRGKRZSA-N 1 1 273.376 3.169 20 30 CGEDMO CC[N@@H+]1[C@H](C)CN(CC#Cc2cccc(Cl)c2)C[C@@H]1C ZINC000639742974 379563713 /nfs/dbraw/zinc/56/37/13/379563713.db2.gz YEEPFSJJVUGXQF-GASCZTMLSA-N 1 1 290.838 3.106 20 30 CGEDMO Clc1ccc(C#CC[N@@H+]2CCC[C@H]2c2cn[nH]c2)cc1 ZINC000639776238 379575823 /nfs/dbraw/zinc/57/58/23/379575823.db2.gz KNMCIOXWQAOESN-INIZCTEOSA-N 1 1 285.778 3.252 20 30 CGEDMO Clc1ccc(C#CC[N@H+]2CCC[C@H]2c2cn[nH]c2)cc1 ZINC000639776238 379575828 /nfs/dbraw/zinc/57/58/28/379575828.db2.gz KNMCIOXWQAOESN-INIZCTEOSA-N 1 1 285.778 3.252 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000351101624 379645118 /nfs/dbraw/zinc/64/51/18/379645118.db2.gz OJKMCABPINGSHR-CQSZACIVSA-N 1 1 296.773 3.092 20 30 CGEDMO C=CC[N@H+](Cc1ccc(Cl)cc1-n1cncn1)C1CC1 ZINC000280238690 379650597 /nfs/dbraw/zinc/65/05/97/379650597.db2.gz NBYCGTIOXIYOEJ-UHFFFAOYSA-N 1 1 288.782 3.071 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)Cc1cccc(Br)c1 ZINC000351616751 379732197 /nfs/dbraw/zinc/73/21/97/379732197.db2.gz VASDZMMEBZKRFQ-CQSZACIVSA-N 1 1 298.224 3.208 20 30 CGEDMO N#Cc1cccc(OCC[N@H+]2CCC=C(c3ccco3)C2)c1 ZINC000352551388 379855063 /nfs/dbraw/zinc/85/50/63/379855063.db2.gz XHLLEWNGEZVKMC-UHFFFAOYSA-N 1 1 294.354 3.319 20 30 CGEDMO CC(C)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000395788060 379921568 /nfs/dbraw/zinc/92/15/68/379921568.db2.gz RKYPORANYDGSRJ-KRWDZBQOSA-N 1 1 299.418 3.397 20 30 CGEDMO CO[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)[C@@H](C)C1 ZINC000282377748 379907440 /nfs/dbraw/zinc/90/74/40/379907440.db2.gz OGDSWJHSPZLRSJ-XHDPSFHLSA-N 1 1 278.783 3.211 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)[C@@H](C)C1 ZINC000282377748 379907443 /nfs/dbraw/zinc/90/74/43/379907443.db2.gz OGDSWJHSPZLRSJ-XHDPSFHLSA-N 1 1 278.783 3.211 20 30 CGEDMO CSC[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000404018204 379977604 /nfs/dbraw/zinc/97/76/04/379977604.db2.gz SEMMCYKAWQZGIN-ZDUSSCGKSA-N 1 1 278.396 3.272 20 30 CGEDMO Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404270968 379980621 /nfs/dbraw/zinc/98/06/21/379980621.db2.gz ZLRBMRNENCROPA-VIFPVBQESA-N 1 1 273.311 3.153 20 30 CGEDMO COc1c(C)cc(C[N@@H+](C)[C@@H](C)CCC#N)cc1C ZINC000411224114 380135787 /nfs/dbraw/zinc/13/57/87/380135787.db2.gz IYBCRFXNUMWZBM-AWEZNQCLSA-N 1 1 260.381 3.436 20 30 CGEDMO CC[N@H+]1C[C@@H](C)N(CCC2(C#N)CCCCC2)C[C@H]1C ZINC000411428652 380147299 /nfs/dbraw/zinc/14/72/99/380147299.db2.gz QEQYIIHRYAACMN-HZPDHXFCSA-N 1 1 277.456 3.265 20 30 CGEDMO CCN1C[C@@H](C)[N@H+](CCC2(C#N)CCCCC2)C[C@H]1C ZINC000411428652 380147305 /nfs/dbraw/zinc/14/73/05/380147305.db2.gz QEQYIIHRYAACMN-HZPDHXFCSA-N 1 1 277.456 3.265 20 30 CGEDMO CCN1C[C@@H](C)[N@@H+](CCC2(C#N)CCCCC2)C[C@H]1C ZINC000411428652 380147317 /nfs/dbraw/zinc/14/73/17/380147317.db2.gz QEQYIIHRYAACMN-HZPDHXFCSA-N 1 1 277.456 3.265 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc2n[nH]cc2c1 ZINC000353169207 380150531 /nfs/dbraw/zinc/15/05/31/380150531.db2.gz FALRTOMNUDEKBJ-NSHDSACASA-N 1 1 294.333 3.424 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411874344 380154809 /nfs/dbraw/zinc/15/48/09/380154809.db2.gz MEIWBPMZFZFMHO-SUMWQHHRSA-N 1 1 270.376 3.120 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411874344 380154817 /nfs/dbraw/zinc/15/48/17/380154817.db2.gz MEIWBPMZFZFMHO-SUMWQHHRSA-N 1 1 270.376 3.120 20 30 CGEDMO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2cccc(C#N)c2)C1(C)C ZINC000353936139 380244672 /nfs/dbraw/zinc/24/46/72/380244672.db2.gz YKBOPZSDWBOOHA-DOTOQJQBSA-N 1 1 272.392 3.194 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)Cc2ccc[nH]2)cc1 ZINC000354025598 380286464 /nfs/dbraw/zinc/28/64/64/380286464.db2.gz GMOCQAZCTGIJEW-UHFFFAOYSA-N 1 1 256.349 3.212 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000355200769 380620269 /nfs/dbraw/zinc/62/02/69/380620269.db2.gz NMRLKSAWDIUYBH-KBXCAEBGSA-N 1 1 287.403 3.251 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000355200769 380620274 /nfs/dbraw/zinc/62/02/74/380620274.db2.gz NMRLKSAWDIUYBH-KBXCAEBGSA-N 1 1 287.403 3.251 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cc(C)nn1C)Cc1ccccc1 ZINC000418024433 380691988 /nfs/dbraw/zinc/69/19/88/380691988.db2.gz DLDNCOQUWQQKSA-UHFFFAOYSA-N 1 1 269.392 3.307 20 30 CGEDMO C=C(C)C[N@H+](Cc1cc(C)nn1C)Cc1ccccc1 ZINC000418024433 380691993 /nfs/dbraw/zinc/69/19/93/380691993.db2.gz DLDNCOQUWQQKSA-UHFFFAOYSA-N 1 1 269.392 3.307 20 30 CGEDMO Cc1cc(NCC2(C#N)CCC2)c2ccccc2[nH+]1 ZINC000419024119 380765194 /nfs/dbraw/zinc/76/51/94/380765194.db2.gz QCYDSPMEFVYRSS-UHFFFAOYSA-N 1 1 251.333 3.071 20 30 CGEDMO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1CC1(C#N)CCC1 ZINC000420936322 380864230 /nfs/dbraw/zinc/86/42/30/380864230.db2.gz ZHFUIPULLAMEEP-UONOGXRCSA-N 1 1 292.423 3.122 20 30 CGEDMO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1CC1(C#N)CCC1 ZINC000420936322 380864231 /nfs/dbraw/zinc/86/42/31/380864231.db2.gz ZHFUIPULLAMEEP-UONOGXRCSA-N 1 1 292.423 3.122 20 30 CGEDMO C=CCOCCC[N@@H+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC000420933250 380864287 /nfs/dbraw/zinc/86/42/87/380864287.db2.gz WAYKFSKLZCSWAJ-CABCVRRESA-N 1 1 297.439 3.021 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+](C(C)C)[C@@H](C)c2ccsc2)C1=O ZINC000421001021 380866977 /nfs/dbraw/zinc/86/69/77/380866977.db2.gz FEQWJOCEOQPMLY-ZFWWWQNUSA-N 1 1 292.448 3.306 20 30 CGEDMO C=CC[N@@H+](CC(=O)N(c1ccccc1)C(C)C)C1CC1 ZINC000357527304 381196222 /nfs/dbraw/zinc/19/62/22/381196222.db2.gz ITZBTNWBBNAWOQ-UHFFFAOYSA-N 1 1 272.392 3.078 20 30 CGEDMO C=CC[N@H+](CC(=O)N(c1ccccc1)C(C)C)C1CC1 ZINC000357527304 381196224 /nfs/dbraw/zinc/19/62/24/381196224.db2.gz ITZBTNWBBNAWOQ-UHFFFAOYSA-N 1 1 272.392 3.078 20 30 CGEDMO C[C@@H]1C[C@H](Nc2cccnc2C#N)C[N@H+]1Cc1ccccc1 ZINC000357533060 381198962 /nfs/dbraw/zinc/19/89/62/381198962.db2.gz PKYVOFYHWBCELL-ZBFHGGJFSA-N 1 1 292.386 3.028 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000358509150 381314354 /nfs/dbraw/zinc/31/43/54/381314354.db2.gz NPXBWYBVFGLZAI-HNNXBMFYSA-N 1 1 272.392 3.303 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)CCCc1ccncc1 ZINC000360457075 381550553 /nfs/dbraw/zinc/55/05/53/381550553.db2.gz UBQAYVDEZCMATI-UHFFFAOYSA-N 1 1 259.397 3.276 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CCC(C)(C)C1 ZINC000361469430 381759711 /nfs/dbraw/zinc/75/97/11/381759711.db2.gz MLSLULGXDZXLMM-OAHLLOKOSA-N 1 1 299.418 3.397 20 30 CGEDMO C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000361568970 381810693 /nfs/dbraw/zinc/81/06/93/381810693.db2.gz YWNYLAIUXTWDNN-YJBOKZPZSA-N 1 1 293.414 3.350 20 30 CGEDMO N#Cc1ccc(C[N@@H+](CC2CC2)C2CCC2)cc1F ZINC000361580623 381817658 /nfs/dbraw/zinc/81/76/58/381817658.db2.gz ZUIMWZUGNYPNPN-UHFFFAOYSA-N 1 1 258.340 3.462 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccc(Cl)c(C)c1 ZINC000361638838 381850000 /nfs/dbraw/zinc/85/00/00/381850000.db2.gz MWTSCZJXBYKLST-UHFFFAOYSA-N 1 1 253.773 3.283 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000362190274 381904998 /nfs/dbraw/zinc/90/49/98/381904998.db2.gz LNXLQKSUIYMLCI-AWEZNQCLSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CCC[C@H]([NH2+]Cc1nnnn1C(C)(C)C)c1ccccc1 ZINC000362192389 381905862 /nfs/dbraw/zinc/90/58/62/381905862.db2.gz UNQMSCGHNWCBBP-HNNXBMFYSA-N 1 1 299.422 3.225 20 30 CGEDMO CC[C@@]1(C)CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000362391590 381972980 /nfs/dbraw/zinc/97/29/80/381972980.db2.gz QZOYDSMKMXLSSO-KSSFIOAISA-N 1 1 299.418 3.397 20 30 CGEDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2ccc(F)cc2C#N)C1(C)C ZINC000362420183 381983324 /nfs/dbraw/zinc/98/33/24/381983324.db2.gz MJBYRNNQEWMZIP-WBVHZDCISA-N 1 1 290.382 3.333 20 30 CGEDMO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2ccc(F)cc2C#N)C1(C)C ZINC000362420182 381984248 /nfs/dbraw/zinc/98/42/48/381984248.db2.gz MJBYRNNQEWMZIP-RDJZCZTQSA-N 1 1 290.382 3.333 20 30 CGEDMO Cc1ccccc1C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000367128520 382334370 /nfs/dbraw/zinc/33/43/70/382334370.db2.gz CDQVTKUKXIOZOE-IBGZPJMESA-N 1 1 292.382 3.440 20 30 CGEDMO Cc1ccccc1C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000367128520 382334376 /nfs/dbraw/zinc/33/43/76/382334376.db2.gz CDQVTKUKXIOZOE-IBGZPJMESA-N 1 1 292.382 3.440 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)c1F ZINC000335381894 208327153 /nfs/dbraw/zinc/32/71/53/208327153.db2.gz WUUNPUHDOMWAEQ-CVEARBPZSA-N 1 1 288.366 3.088 20 30 CGEDMO C[C@@H]([NH2+][C@@H](c1nccn1C)C1CC1)c1cccc(C#N)c1 ZINC000353881068 220386004 /nfs/dbraw/zinc/38/60/04/220386004.db2.gz POTKBLDJOOKSND-MLGOLLRUSA-N 1 1 280.375 3.094 20 30 CGEDMO CC[N@@H+](Cc1c(C)cnn1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000289069218 197226503 /nfs/dbraw/zinc/22/65/03/197226503.db2.gz JRAFSMNIXVYVDE-AWEZNQCLSA-N 1 1 282.391 3.183 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@H](CCO)c2ccc(Cl)cc2)o1 ZINC000288508883 197098618 /nfs/dbraw/zinc/09/86/18/197098618.db2.gz SUFHQCONIYUVNZ-OAHLLOKOSA-N 1 1 290.750 3.018 20 30 CGEDMO COC[C@@H]1CCCC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000342734060 285261087 /nfs/dbraw/zinc/26/10/87/285261087.db2.gz GPJTUOINHRLLHT-GDBMZVCRSA-N 1 1 272.392 3.368 20 30 CGEDMO CC(C)[N@H+]1CCCN(CCCCC(C)(C)C#N)CC1 ZINC000336806327 262395560 /nfs/dbraw/zinc/39/55/60/262395560.db2.gz RORNTHLLZMUHMZ-UHFFFAOYSA-N 1 1 265.445 3.123 20 30 CGEDMO CC(C)N1CCC[N@H+](CCCCC(C)(C)C#N)CC1 ZINC000336806327 262395561 /nfs/dbraw/zinc/39/55/61/262395561.db2.gz RORNTHLLZMUHMZ-UHFFFAOYSA-N 1 1 265.445 3.123 20 30 CGEDMO CC(C)N1CCC[N@@H+](CCCCC(C)(C)C#N)CC1 ZINC000336806327 262395563 /nfs/dbraw/zinc/39/55/63/262395563.db2.gz RORNTHLLZMUHMZ-UHFFFAOYSA-N 1 1 265.445 3.123 20 30 CGEDMO CO[C@@H](C)C[N@@H+](Cc1ccc(Cl)cc1C#N)C(C)C ZINC000359847474 533331082 /nfs/dbraw/zinc/33/10/82/533331082.db2.gz BDLYNPFGFCNUPA-LBPRGKRZSA-N 1 1 280.799 3.457 20 30 CGEDMO Cc1cc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)ccc1C#N ZINC000411926531 533637962 /nfs/dbraw/zinc/63/79/62/533637962.db2.gz PVZBJIPHIWHERG-RTBURBONSA-N 1 1 292.382 3.175 20 30 CGEDMO CCC(=O)CC[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000190197773 130072071 /nfs/dbraw/zinc/07/20/71/130072071.db2.gz HTRFYZCNCWSCJR-ZDUSSCGKSA-N 1 1 258.365 3.310 20 30 CGEDMO C[C@@H](c1ccccc1F)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191222445 130203934 /nfs/dbraw/zinc/20/39/34/130203934.db2.gz OBHYKSRJUPYVHT-LBPRGKRZSA-N 1 1 271.339 3.229 20 30 CGEDMO C[C@@H](c1ccccc1F)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191222445 130203936 /nfs/dbraw/zinc/20/39/36/130203936.db2.gz OBHYKSRJUPYVHT-LBPRGKRZSA-N 1 1 271.339 3.229 20 30 CGEDMO C[C@H]1CCC[C@@H]([N@@H+](C)CCOc2cccc(C#N)c2)C1 ZINC000048335273 391997205 /nfs/dbraw/zinc/99/72/05/391997205.db2.gz NDBBAWFBFNNXEW-GOEBONIOSA-N 1 1 272.392 3.448 20 30 CGEDMO COc1ccc(C[N@H+](CCC#N)CC(C)(C)C)cc1OC ZINC000093101222 392234424 /nfs/dbraw/zinc/23/44/24/392234424.db2.gz UHHFMRGMTXEHLI-UHFFFAOYSA-N 1 1 290.407 3.466 20 30 CGEDMO COc1ccc(C[N@@H+](CCC#N)CC(C)(C)C)cc1OC ZINC000093101222 392234427 /nfs/dbraw/zinc/23/44/27/392234427.db2.gz UHHFMRGMTXEHLI-UHFFFAOYSA-N 1 1 290.407 3.466 20 30 CGEDMO C[C@@H]1CCCCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000070535515 392183922 /nfs/dbraw/zinc/18/39/22/392183922.db2.gz CAINJLAOAIOCDS-CQSZACIVSA-N 1 1 258.365 3.202 20 30 CGEDMO CC(C)[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C1CCC1 ZINC000072685703 392210352 /nfs/dbraw/zinc/21/03/52/392210352.db2.gz URBNKQWBHJYMCD-UHFFFAOYSA-N 1 1 296.374 3.371 20 30 CGEDMO C=CC[N@H+](Cc1cc(-c2ccccc2)on1)C1CC1 ZINC000284953529 392315492 /nfs/dbraw/zinc/31/54/92/392315492.db2.gz JFCRSVLDBOWTPI-UHFFFAOYSA-N 1 1 254.333 3.492 20 30 CGEDMO C=CC[N@@H+](Cc1cc(-c2ccccc2)on1)C1CC1 ZINC000284953529 392315497 /nfs/dbraw/zinc/31/54/97/392315497.db2.gz JFCRSVLDBOWTPI-UHFFFAOYSA-N 1 1 254.333 3.492 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c(F)c1 ZINC000106000082 392298468 /nfs/dbraw/zinc/29/84/68/392298468.db2.gz CXVJDRSXPKFHJS-LBPRGKRZSA-N 1 1 286.272 3.472 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)c(F)c1 ZINC000106000082 392298470 /nfs/dbraw/zinc/29/84/70/392298470.db2.gz CXVJDRSXPKFHJS-LBPRGKRZSA-N 1 1 286.272 3.472 20 30 CGEDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2ccc(C#N)c(F)c2)C1(C)C ZINC000361830017 392335305 /nfs/dbraw/zinc/33/53/05/392335305.db2.gz POGNKAVTMATEQR-WBVHZDCISA-N 1 1 290.382 3.333 20 30 CGEDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C#N)c(F)c2)C[C@H]1C ZINC000361836283 392338711 /nfs/dbraw/zinc/33/87/11/392338711.db2.gz DZLPJSBHDGFVRJ-CZUORRHYSA-N 1 1 289.398 3.002 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1c1cccs1 ZINC000246052927 131091804 /nfs/dbraw/zinc/09/18/04/131091804.db2.gz USNUBVGJVAUQDE-STQMWFEESA-N 1 1 251.395 3.212 20 30 CGEDMO C[N@@H+](Cc1ccc2c(c1)CCO2)Cc1cccc(C#N)c1 ZINC000109829385 392374170 /nfs/dbraw/zinc/37/41/70/392374170.db2.gz HOWDPMAQIVHBGO-UHFFFAOYSA-N 1 1 278.355 3.125 20 30 CGEDMO C[C@H]1SCC[N@H+](Cc2ccc(F)c(C#N)c2)[C@H]1C ZINC000121254242 392410139 /nfs/dbraw/zinc/41/01/39/392410139.db2.gz KWBQYMHORAUQFD-WDEREUQCSA-N 1 1 264.369 3.023 20 30 CGEDMO C[C@H]1SCC[N@@H+](Cc2ccc(F)c(C#N)c2)[C@H]1C ZINC000121254242 392410149 /nfs/dbraw/zinc/41/01/49/392410149.db2.gz KWBQYMHORAUQFD-WDEREUQCSA-N 1 1 264.369 3.023 20 30 CGEDMO N#Cc1ccc(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)cc1 ZINC000123451173 392427742 /nfs/dbraw/zinc/42/77/42/392427742.db2.gz ALIYCHJVBHPSHX-SFHVURJKSA-N 1 1 284.403 3.482 20 30 CGEDMO C#CC[N@@H+](Cc1c(C)nn(CC)c1C)Cc1ccccc1 ZINC000289863808 392434710 /nfs/dbraw/zinc/43/47/10/392434710.db2.gz VNANLDVNWDMQBG-UHFFFAOYSA-N 1 1 281.403 3.155 20 30 CGEDMO C#CC[N@H+](Cc1c(C)nn(CC)c1C)Cc1ccccc1 ZINC000289863808 392434714 /nfs/dbraw/zinc/43/47/14/392434714.db2.gz VNANLDVNWDMQBG-UHFFFAOYSA-N 1 1 281.403 3.155 20 30 CGEDMO C[C@H]1C[N@H+](CCCCC#N)C[C@H](c2ccc(F)cc2)O1 ZINC000126763870 392443907 /nfs/dbraw/zinc/44/39/07/392443907.db2.gz KKLPDZHQPGKYOU-XJKSGUPXSA-N 1 1 276.355 3.281 20 30 CGEDMO C[C@H]1C[N@@H+](CCCCC#N)C[C@H](c2ccc(F)cc2)O1 ZINC000126763870 392443911 /nfs/dbraw/zinc/44/39/11/392443911.db2.gz KKLPDZHQPGKYOU-XJKSGUPXSA-N 1 1 276.355 3.281 20 30 CGEDMO C#Cc1ccc(C[NH2+]Cc2ccc(F)c(CN(C)C)c2)cc1 ZINC000290376233 392446525 /nfs/dbraw/zinc/44/65/25/392446525.db2.gz NQKAEHQTCKSBGI-UHFFFAOYSA-N 1 1 296.389 3.158 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000121055828 392407337 /nfs/dbraw/zinc/40/73/37/392407337.db2.gz ZJESKUYIZGRYRK-GJZGRUSLSA-N 1 1 264.413 3.350 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(OC)c(OCCCC)c1 ZINC000154788069 392536936 /nfs/dbraw/zinc/53/69/36/392536936.db2.gz SFFAXSLMGJERLZ-UHFFFAOYSA-N 1 1 263.381 3.492 20 30 CGEDMO CC[N@@H+](CC(=O)N(CC(C)C)c1ccc(C#N)cc1)C1CC1 ZINC000505401025 392664192 /nfs/dbraw/zinc/66/41/92/392664192.db2.gz CPKNPKXKIGBLGF-UHFFFAOYSA-N 1 1 299.418 3.032 20 30 CGEDMO COc1ccc2c(c1)C[N@H+](CCCC(C)(C)C#N)CC2 ZINC000174833470 392646932 /nfs/dbraw/zinc/64/69/32/392646932.db2.gz GYKHWGRHWJZHSX-UHFFFAOYSA-N 1 1 272.392 3.383 20 30 CGEDMO CC(C)CC[N@@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182664807 392748075 /nfs/dbraw/zinc/74/80/75/392748075.db2.gz YKZALDCYDDGPQB-QGZVFWFLSA-N 1 1 299.418 3.032 20 30 CGEDMO N#Cc1cccc([C@@H]2C[N@H+](CCCCCF)CCO2)c1 ZINC000375296947 392761038 /nfs/dbraw/zinc/76/10/38/392761038.db2.gz SHRRSUFGYBNZKF-INIZCTEOSA-N 1 1 276.355 3.071 20 30 CGEDMO N#Cc1cccc([C@@H]2C[N@@H+](CCCCCF)CCO2)c1 ZINC000375296947 392761042 /nfs/dbraw/zinc/76/10/42/392761042.db2.gz SHRRSUFGYBNZKF-INIZCTEOSA-N 1 1 276.355 3.071 20 30 CGEDMO Cc1cncc([C@H](C)[NH2+]Cc2ccc(C#N)cc2F)c1 ZINC000184348298 392763883 /nfs/dbraw/zinc/76/38/83/392763883.db2.gz QTZVEIZAZXIWHS-LBPRGKRZSA-N 1 1 269.323 3.252 20 30 CGEDMO N#C[C@H]1CC[C@@H]([N@H+]2CCOC3(C2)CCCCCC3)C1 ZINC000334325265 392720791 /nfs/dbraw/zinc/72/07/91/392720791.db2.gz GBAKQHHEGXDQMA-LSDHHAIUSA-N 1 1 262.397 3.104 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCOC3(C2)CCCCCC3)C1 ZINC000334325255 392720835 /nfs/dbraw/zinc/72/08/35/392720835.db2.gz GBAKQHHEGXDQMA-CABCVRRESA-N 1 1 262.397 3.104 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCOCC2(CC2)C1 ZINC000335658261 392805562 /nfs/dbraw/zinc/80/55/62/392805562.db2.gz ZDNWQCPGSCLZBJ-UHFFFAOYSA-N 1 1 284.403 3.100 20 30 CGEDMO C=CCc1cc(C[N@@H+](C)C(C)(C)C)cc(OC)c1O ZINC000648070252 392902783 /nfs/dbraw/zinc/90/27/83/392902783.db2.gz LXLHZCYYCWZZNT-UHFFFAOYSA-N 1 1 263.381 3.360 20 30 CGEDMO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C#N ZINC000338588036 392921603 /nfs/dbraw/zinc/92/16/03/392921603.db2.gz RVDKGXVMMKYRJM-GOOCMWNKSA-N 1 1 286.423 3.070 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000525410476 392937337 /nfs/dbraw/zinc/93/73/37/392937337.db2.gz HMAGVPIKFDEGHS-QWHCGFSZSA-N 1 1 253.349 3.041 20 30 CGEDMO C=CCOCC[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000338912919 392934031 /nfs/dbraw/zinc/93/40/31/392934031.db2.gz FFJQVMZVGVOXCH-UHFFFAOYSA-N 1 1 273.298 3.340 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cc(C(=O)OC)c(CC)o1 ZINC000338953158 392937927 /nfs/dbraw/zinc/93/79/27/392937927.db2.gz RBIUUNPAIWHLIV-GFCCVEGCSA-N 1 1 277.364 3.169 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(C(=O)OC)c(CC)o1 ZINC000338953158 392937930 /nfs/dbraw/zinc/93/79/30/392937930.db2.gz RBIUUNPAIWHLIV-GFCCVEGCSA-N 1 1 277.364 3.169 20 30 CGEDMO Cc1cc(C)cc([C@H]2CC[N@@H+](CCOCCC#N)C2)c1 ZINC000339083391 392947211 /nfs/dbraw/zinc/94/72/11/392947211.db2.gz RVKXSQKXCBUFDN-INIZCTEOSA-N 1 1 272.392 3.023 20 30 CGEDMO CCC[C@]1(COC)CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000194938192 392947939 /nfs/dbraw/zinc/94/79/39/392947939.db2.gz COVOOJVVFYIVSO-QGZVFWFLSA-N 1 1 290.382 3.478 20 30 CGEDMO N#Cc1cccc(C[NH2+]Cc2ccn(-c3ccccc3)n2)c1 ZINC000195251303 392963166 /nfs/dbraw/zinc/96/31/66/392963166.db2.gz HQIWWJQWXYCKOE-UHFFFAOYSA-N 1 1 288.354 3.034 20 30 CGEDMO CC[C@]1(C)C[N@@H+](CCC2(C#N)CCCCC2)CCO1 ZINC000411627040 392982268 /nfs/dbraw/zinc/98/22/68/392982268.db2.gz XVGSJZOCUQIEQM-OAHLLOKOSA-N 1 1 264.413 3.351 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)Cc1cnc2ccccc2c1 ZINC000411642887 392984850 /nfs/dbraw/zinc/98/48/50/392984850.db2.gz HTABNSIJYUDGNP-UHFFFAOYSA-N 1 1 283.419 3.175 20 30 CGEDMO C=CCN(C)CC[N@@H+](CC)Cc1cnc2ccccc2c1 ZINC000411642887 392984854 /nfs/dbraw/zinc/98/48/54/392984854.db2.gz HTABNSIJYUDGNP-UHFFFAOYSA-N 1 1 283.419 3.175 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)Cc1cnc2ccccc2c1 ZINC000411642887 392984859 /nfs/dbraw/zinc/98/48/59/392984859.db2.gz HTABNSIJYUDGNP-UHFFFAOYSA-N 1 1 283.419 3.175 20 30 CGEDMO CCC[N@H+](CCN1CCCCCC1)[C@@H]1CC[C@@H](C#N)C1 ZINC000411737233 392986123 /nfs/dbraw/zinc/98/61/23/392986123.db2.gz PAOPCMZJQZVTIA-IAGOWNOFSA-N 1 1 277.456 3.267 20 30 CGEDMO CCC[N@@H+](CCN1CCCCCC1)[C@@H]1CC[C@@H](C#N)C1 ZINC000411737233 392986131 /nfs/dbraw/zinc/98/61/31/392986131.db2.gz PAOPCMZJQZVTIA-IAGOWNOFSA-N 1 1 277.456 3.267 20 30 CGEDMO C[C@H]1C[C@@H](N2CCCC2)C[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411720839 392986382 /nfs/dbraw/zinc/98/63/82/392986382.db2.gz QVHFQGNVYIGSOJ-DLBZAZTESA-N 1 1 289.467 3.409 20 30 CGEDMO C[C@H]1C[C@@H](N2CCCC2)C[N@H+]1CCC1(C#N)CCCCC1 ZINC000411720839 392986387 /nfs/dbraw/zinc/98/63/87/392986387.db2.gz QVHFQGNVYIGSOJ-DLBZAZTESA-N 1 1 289.467 3.409 20 30 CGEDMO CCN1CC[C@@H]([NH2+]CCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000411702669 392986825 /nfs/dbraw/zinc/98/68/25/392986825.db2.gz ZSQALBIPXKLXDS-HUUCEWRRSA-N 1 1 295.789 3.118 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000530962496 392987632 /nfs/dbraw/zinc/98/76/32/392987632.db2.gz XVGFPBOWMBAFQM-QGZVFWFLSA-N 1 1 263.344 3.290 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000530962496 392987639 /nfs/dbraw/zinc/98/76/39/392987639.db2.gz XVGFPBOWMBAFQM-QGZVFWFLSA-N 1 1 263.344 3.290 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000411790110 392988696 /nfs/dbraw/zinc/98/86/96/392988696.db2.gz GIRKTSBNWHLPRK-UKRRQHHQSA-N 1 1 287.363 3.466 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000412079987 392994141 /nfs/dbraw/zinc/99/41/41/392994141.db2.gz VMOZRMXTOMCVOX-CQSZACIVSA-N 1 1 267.413 3.396 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)Cc1ccc(OC)c(Cl)c1 ZINC000412038900 392995458 /nfs/dbraw/zinc/99/54/58/392995458.db2.gz JQZONVDWDKBEAE-CYBMUJFWSA-N 1 1 283.799 3.108 20 30 CGEDMO N#CC1(C[N@H+]2CC[C@@H](CSc3ccccc3)C2)CC1 ZINC000343313999 393024606 /nfs/dbraw/zinc/02/46/06/393024606.db2.gz LNPOGDKTOUNKGN-CQSZACIVSA-N 1 1 272.417 3.404 20 30 CGEDMO CCOc1ccc2c(c1)CC[N@H+](CCC(C)(C)C#N)C2 ZINC000345717369 393065375 /nfs/dbraw/zinc/06/53/75/393065375.db2.gz UQGRLCLZUYJEOJ-UHFFFAOYSA-N 1 1 272.392 3.383 20 30 CGEDMO C[N@@H+](CC1(C#N)CC1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000348818846 393131948 /nfs/dbraw/zinc/13/19/48/393131948.db2.gz IHWJESUAAAASDS-HOTGVXAUSA-N 1 1 288.366 3.281 20 30 CGEDMO CC[N@@H+](Cc1ccc(C(=O)NCCCCC#N)cc1)C1CC1 ZINC000349303218 393142578 /nfs/dbraw/zinc/14/25/78/393142578.db2.gz XZNPXUGZNNJJEY-UHFFFAOYSA-N 1 1 299.418 3.095 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)cc1Cl ZINC000349360366 393146394 /nfs/dbraw/zinc/14/63/94/393146394.db2.gz AIOWEFFSTCQBCC-DOMZBBRYSA-N 1 1 295.810 3.108 20 30 CGEDMO CC[C@H]1CCCC[N@@H+]1CCN[C@H]1CCc2ccc(C#N)cc21 ZINC000353265656 393217769 /nfs/dbraw/zinc/21/77/69/393217769.db2.gz ZFJSVXBMZHKFGH-HKUYNNGSSA-N 1 1 297.446 3.400 20 30 CGEDMO CC[C@H]1CCCC[N@H+]1CCN[C@H]1CCc2ccc(C#N)cc21 ZINC000353265656 393217774 /nfs/dbraw/zinc/21/77/74/393217774.db2.gz ZFJSVXBMZHKFGH-HKUYNNGSSA-N 1 1 297.446 3.400 20 30 CGEDMO C=CCOCC[N@H+]1C[C@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000569013096 393194721 /nfs/dbraw/zinc/19/47/21/393194721.db2.gz ROYGBZZXXSQALX-SJLPKXTDSA-N 1 1 289.419 3.268 20 30 CGEDMO C=CCOCC[N@@H+]1C[C@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000569013096 393194726 /nfs/dbraw/zinc/19/47/26/393194726.db2.gz ROYGBZZXXSQALX-SJLPKXTDSA-N 1 1 289.419 3.268 20 30 CGEDMO C=CC[N@@H+](CC(=O)N(CCC)CCC)Cc1ccccc1 ZINC000355268432 393283432 /nfs/dbraw/zinc/28/34/32/393283432.db2.gz GCUSQEXEXCXTNY-UHFFFAOYSA-N 1 1 288.435 3.323 20 30 CGEDMO C=CC[N@H+](CC(=O)N(CCC)CCC)Cc1ccccc1 ZINC000355268432 393283439 /nfs/dbraw/zinc/28/34/39/393283439.db2.gz GCUSQEXEXCXTNY-UHFFFAOYSA-N 1 1 288.435 3.323 20 30 CGEDMO C=CCOc1cccc(CNC[C@H](C)[NH+](CC)CC)c1 ZINC000355288446 393292729 /nfs/dbraw/zinc/29/27/29/393292729.db2.gz HXYZGWCMEHQVJO-HNNXBMFYSA-N 1 1 276.424 3.071 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000649272748 393389668 /nfs/dbraw/zinc/38/96/68/393389668.db2.gz MJKCJSSCLFBGFV-BZSNNMDCSA-N 1 1 289.419 3.023 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000649323469 393401205 /nfs/dbraw/zinc/40/12/05/393401205.db2.gz QMJCULFMHSZVFQ-OIISXLGYSA-N 1 1 259.393 3.049 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H](O)CC1CCCC1 ZINC000475044867 393367243 /nfs/dbraw/zinc/36/72/43/393367243.db2.gz CNCVGABWSKWYNX-IBGZPJMESA-N 1 1 298.430 3.487 20 30 CGEDMO C=CC[C@@H](C(=O)NCC[N@H+](CC)C(C)C)c1ccccc1 ZINC000426829008 393452825 /nfs/dbraw/zinc/45/28/25/393452825.db2.gz NKCFYUWBAPKCKX-QGZVFWFLSA-N 1 1 288.435 3.193 20 30 CGEDMO Cc1cc(C[N@@H+](Cc2ccncc2)C2CC2)ccc1C#N ZINC000488113393 393458998 /nfs/dbraw/zinc/45/89/98/393458998.db2.gz RGCZMTORPSSSGB-UHFFFAOYSA-N 1 1 277.371 3.426 20 30 CGEDMO Cc1cc(C[N@H+]2CCOC3(CCCC3)C2)ccc1C#N ZINC000488163899 393465500 /nfs/dbraw/zinc/46/55/00/393465500.db2.gz AFEOFFWQWPLMNH-UHFFFAOYSA-N 1 1 270.376 3.012 20 30 CGEDMO Cc1cc(C[N@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)ccc1C#N ZINC000488171920 393466251 /nfs/dbraw/zinc/46/62/51/393466251.db2.gz PTEFVAHVMRBKGI-DLBZAZTESA-N 1 1 286.419 3.096 20 30 CGEDMO CCC1CCC([N@@H+](CCO)Cc2ccc(C#N)s2)CC1 ZINC000488571677 393540950 /nfs/dbraw/zinc/54/09/50/393540950.db2.gz GXRPZHSSIVAWOB-UHFFFAOYSA-N 1 1 292.448 3.383 20 30 CGEDMO COc1ccc2c(c1)C[C@H](C)[N@H+](CCCC#N)[C@@H]2C ZINC000359539339 393550151 /nfs/dbraw/zinc/55/01/51/393550151.db2.gz ORLNHPBGPHUWMP-QWHCGFSZSA-N 1 1 258.365 3.307 20 30 CGEDMO C[C@@H]1CC[C@@]2(CC[N@@H+](CCCSCC#N)C2)C1 ZINC000360681865 393572937 /nfs/dbraw/zinc/57/29/37/393572937.db2.gz RYXUSKZDXUPLBK-ZIAGYGMSSA-N 1 1 252.427 3.145 20 30 CGEDMO Cc1cc(C[N@@H+]2CCSC[C@H](C)C2)ccc1C#N ZINC000489009467 393570622 /nfs/dbraw/zinc/57/06/22/393570622.db2.gz ISVHUMYKQCJCJG-GFCCVEGCSA-N 1 1 260.406 3.052 20 30 CGEDMO C=CCOc1ccc(CN[C@H]2CCC[NH2+]CC2)cc1Cl ZINC000666855336 542820576 /nfs/dbraw/zinc/82/05/76/542820576.db2.gz NDWJKABHRJUXGB-AWEZNQCLSA-N 1 1 294.826 3.137 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)[C@@H]1CC1(C)C ZINC000489428033 393595907 /nfs/dbraw/zinc/59/59/07/393595907.db2.gz OFXRXJZIRZJWNP-CYBMUJFWSA-N 1 1 280.318 3.390 20 30 CGEDMO Cc1ccccc1[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC000361213125 393703654 /nfs/dbraw/zinc/70/36/54/393703654.db2.gz CXIJFHQPZAAASC-IBGZPJMESA-N 1 1 292.382 3.440 20 30 CGEDMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC000361213125 393703657 /nfs/dbraw/zinc/70/36/57/393703657.db2.gz CXIJFHQPZAAASC-IBGZPJMESA-N 1 1 292.382 3.440 20 30 CGEDMO C=CCOc1cccc(C[NH2+][C@H](C)c2nccn2CC)c1 ZINC000449563442 393906350 /nfs/dbraw/zinc/90/63/50/393906350.db2.gz VDYAHXWRIYBMMY-CQSZACIVSA-N 1 1 285.391 3.319 20 30 CGEDMO CO[C@H]1CC[N@@H+](CCCCC(C)(C)C#N)C[C@H]1C ZINC000451571261 394046476 /nfs/dbraw/zinc/04/64/76/394046476.db2.gz PYGWJNUYCKAHKE-KGLIPLIRSA-N 1 1 252.402 3.063 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451699369 394047152 /nfs/dbraw/zinc/04/71/52/394047152.db2.gz LBYDPHLSMUPBKY-BZUAXINKSA-N 1 1 251.414 3.216 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000667473260 542873368 /nfs/dbraw/zinc/87/33/68/542873368.db2.gz DPAGKTCHHIMMAW-QGZVFWFLSA-N 1 1 275.392 3.252 20 30 CGEDMO C[C@@H](NCC[N@H+]1CCCC1(C)C)c1ccc(C#N)cc1F ZINC000453407668 394236769 /nfs/dbraw/zinc/23/67/69/394236769.db2.gz UYGNDAHKODXQJL-CYBMUJFWSA-N 1 1 289.398 3.222 20 30 CGEDMO C[C@@H]([NH2+]CCN1CCCC1(C)C)c1ccc(C#N)cc1F ZINC000453407668 394236771 /nfs/dbraw/zinc/23/67/71/394236771.db2.gz UYGNDAHKODXQJL-CYBMUJFWSA-N 1 1 289.398 3.222 20 30 CGEDMO Cc1cc(C#N)cc(NC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000456959716 394301199 /nfs/dbraw/zinc/30/11/99/394301199.db2.gz GMNMJNXSQJJXPO-MJBXVCDLSA-N 1 1 285.391 3.067 20 30 CGEDMO Cc1cc(C#N)cc(NC(=O)CC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000456973037 394303201 /nfs/dbraw/zinc/30/32/01/394303201.db2.gz VVXXRFKKEBWFKH-AWEZNQCLSA-N 1 1 285.391 3.070 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1c(C2CC2)cnn1C ZINC000667650497 542904958 /nfs/dbraw/zinc/90/49/58/542904958.db2.gz ZGNGTSTXPRFXPW-UHFFFAOYSA-N 1 1 261.413 3.476 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2ccccc2C(=O)N(C)C)C1 ZINC000668494284 543019864 /nfs/dbraw/zinc/01/98/64/543019864.db2.gz XHWNDHNVLUYYMK-HNNXBMFYSA-N 1 1 286.419 3.177 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000668492730 543020738 /nfs/dbraw/zinc/02/07/38/543020738.db2.gz FGSXRLVIJUEGOG-ZDUSSCGKSA-N 1 1 271.364 3.458 20 30 CGEDMO C[N@@H+](CCCC#N)CCc1ccc(Br)cc1 ZINC000258851163 397669818 /nfs/dbraw/zinc/66/98/18/397669818.db2.gz DKQDJYPWKASDTH-UHFFFAOYSA-N 1 1 281.197 3.227 20 30 CGEDMO CC(C)[N@@H+](C)CCNCc1ccc(C#N)cc1C(F)(F)F ZINC000352844009 397685871 /nfs/dbraw/zinc/68/58/71/397685871.db2.gz DQZBXDKWASJVNO-UHFFFAOYSA-N 1 1 299.340 3.007 20 30 CGEDMO CC(C)N(C)CC[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000352844009 397685874 /nfs/dbraw/zinc/68/58/74/397685874.db2.gz DQZBXDKWASJVNO-UHFFFAOYSA-N 1 1 299.340 3.007 20 30 CGEDMO FCCC[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000675891556 543370224 /nfs/dbraw/zinc/37/02/24/543370224.db2.gz LEJAAHLNKJJQFH-KNVOCYPGSA-N 1 1 267.188 3.019 20 30 CGEDMO C[C@H]1COCCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000676712614 543412549 /nfs/dbraw/zinc/41/25/49/543412549.db2.gz BBPXWQSECDQEMA-ZDUSSCGKSA-N 1 1 297.320 3.168 20 30 CGEDMO C[C@H]1COCCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000676712614 543412551 /nfs/dbraw/zinc/41/25/51/543412551.db2.gz BBPXWQSECDQEMA-ZDUSSCGKSA-N 1 1 297.320 3.168 20 30 CGEDMO CC[N@@H+](CC#CCOC)[C@H](C)c1cc2ccccc2o1 ZINC000677478305 543450304 /nfs/dbraw/zinc/45/03/04/543450304.db2.gz UMDMTTWXPGKGLF-CQSZACIVSA-N 1 1 271.360 3.466 20 30 CGEDMO CCC#C[C@H](C)[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000677475540 543450765 /nfs/dbraw/zinc/45/07/65/543450765.db2.gz BBKXPYZGOVYDCF-AWEZNQCLSA-N 1 1 297.402 3.181 20 30 CGEDMO C=CC[N@H+](CCC(=O)Nc1cccc(F)c1C)C(C)C ZINC000744388951 572748358 /nfs/dbraw/zinc/74/83/58/572748358.db2.gz BTQQQOMYSIUNFL-UHFFFAOYSA-N 1 1 278.371 3.359 20 30 CGEDMO CC[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CC#CCOC ZINC000677818491 543467214 /nfs/dbraw/zinc/46/72/14/543467214.db2.gz PPCQNKOGTBMRFS-ZWKOTPCHSA-N 1 1 271.404 3.294 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000678234233 543498897 /nfs/dbraw/zinc/49/88/97/543498897.db2.gz ATQQIXCYCKHZGC-QGZVFWFLSA-N 1 1 297.402 3.285 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](C)CCOC(C)(C)C)c1 ZINC000678283615 543511210 /nfs/dbraw/zinc/51/12/10/543511210.db2.gz GLQQPHVFPVOQOW-UHFFFAOYSA-N 1 1 277.408 3.498 20 30 CGEDMO C=C(C)C[NH+]1CCC(N[C@@H](C)c2ccc(C)nc2C)CC1 ZINC000678420958 543523958 /nfs/dbraw/zinc/52/39/58/543523958.db2.gz GDEKDTBMTSOYFF-INIZCTEOSA-N 1 1 287.451 3.390 20 30 CGEDMO C=CCCC[C@@H](C)[N@@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000678714811 543549547 /nfs/dbraw/zinc/54/95/47/543549547.db2.gz QOKDKQPVPVZHAP-OAHLLOKOSA-N 1 1 280.456 3.454 20 30 CGEDMO COCC#CC[NH2+][C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000678729058 543550536 /nfs/dbraw/zinc/55/05/36/543550536.db2.gz VCKNNZWBXPRSTM-SECBINFHSA-N 1 1 290.165 3.433 20 30 CGEDMO COc1cc(C#N)ccc1OCC[N@@H+](CC(C)C)C(C)C ZINC000077250915 165121535 /nfs/dbraw/zinc/12/15/35/165121535.db2.gz YLXTVXTZAJBSRO-UHFFFAOYSA-N 1 1 290.407 3.312 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c1 ZINC000087770945 165189882 /nfs/dbraw/zinc/18/98/82/165189882.db2.gz OJMBCRFSGBBAKP-CJNGLKHVSA-N 1 1 258.340 3.462 20 30 CGEDMO COc1ccc([C@@H]2CC[N@@H+](Cc3ccc(C#N)o3)C2)cc1 ZINC000092783305 165313260 /nfs/dbraw/zinc/31/32/60/165313260.db2.gz XYEXOWISTNEIAU-CQSZACIVSA-N 1 1 282.343 3.149 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)CCS1 ZINC000093869335 165338961 /nfs/dbraw/zinc/33/89/61/165338961.db2.gz QZHZLCIGARMKST-ZDUSSCGKSA-N 1 1 266.435 3.193 20 30 CGEDMO COc1ccc(C[C@@H](C)C[N@@H+](C)Cc2ccc(C#N)o2)cc1 ZINC000093772121 287119168 /nfs/dbraw/zinc/11/91/68/287119168.db2.gz SVTWIRMFKVLBNI-CQSZACIVSA-N 1 1 298.386 3.470 20 30 CGEDMO C[C@@H]1C[C@@H](Nc2cc(Cl)ccc2C#N)C[N@H+]1C1CC1 ZINC000122818939 287212985 /nfs/dbraw/zinc/21/29/85/287212985.db2.gz XNLFPOGSJHELQD-ZWNOBZJWSA-N 1 1 275.783 3.249 20 30 CGEDMO CCn1nccc1CC[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000284245365 196011328 /nfs/dbraw/zinc/01/13/28/196011328.db2.gz CIQSCSZSMCSXBP-UHFFFAOYSA-N 1 1 296.418 3.228 20 30 CGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1ccccc1 ZINC000007380747 170281305 /nfs/dbraw/zinc/28/13/05/170281305.db2.gz WVEMFMDEQGMILU-AWEZNQCLSA-N 1 1 293.370 3.017 20 30 CGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1ccccc1 ZINC000007380747 170281306 /nfs/dbraw/zinc/28/13/06/170281306.db2.gz WVEMFMDEQGMILU-AWEZNQCLSA-N 1 1 293.370 3.017 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1 ZINC000020260969 171118119 /nfs/dbraw/zinc/11/81/19/171118119.db2.gz ZFDOPBYTMMFCHX-UHFFFAOYSA-N 1 1 293.370 3.019 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000284989606 196172115 /nfs/dbraw/zinc/17/21/15/196172115.db2.gz YIDAQWMVZPPEMF-HOTGVXAUSA-N 1 1 290.794 3.355 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000284989606 196172117 /nfs/dbraw/zinc/17/21/17/196172117.db2.gz YIDAQWMVZPPEMF-HOTGVXAUSA-N 1 1 290.794 3.355 20 30 CGEDMO C[C@@H]1CCC[C@](CNCc2ccc(C#N)cc2)([NH+](C)C)C1 ZINC000040668383 174367718 /nfs/dbraw/zinc/36/77/18/174367718.db2.gz UDBSDBUBMZEOSU-QAPCUYQASA-N 1 1 285.435 3.158 20 30 CGEDMO C[N@H+]1CCC[C@@H](CNc2ccc(C(F)(F)F)cc2C#N)C1 ZINC000044539069 175200591 /nfs/dbraw/zinc/20/05/91/175200591.db2.gz RBBSGGNYCMREIB-NSHDSACASA-N 1 1 297.324 3.331 20 30 CGEDMO C[C@H](c1cccnc1)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000093235697 416497072 /nfs/dbraw/zinc/49/70/72/416497072.db2.gz JVNAKXWVKCBACW-CQSZACIVSA-N 1 1 268.335 3.265 20 30 CGEDMO C[C@H](c1cccnc1)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000093235697 416497077 /nfs/dbraw/zinc/49/70/77/416497077.db2.gz JVNAKXWVKCBACW-CQSZACIVSA-N 1 1 268.335 3.265 20 30 CGEDMO C[C@@H](c1cccnc1)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000093235695 416497089 /nfs/dbraw/zinc/49/70/89/416497089.db2.gz JVNAKXWVKCBACW-AWEZNQCLSA-N 1 1 268.335 3.265 20 30 CGEDMO C[C@@H](c1cccnc1)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000093235695 416497093 /nfs/dbraw/zinc/49/70/93/416497093.db2.gz JVNAKXWVKCBACW-AWEZNQCLSA-N 1 1 268.335 3.265 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000679226516 543604630 /nfs/dbraw/zinc/60/46/30/543604630.db2.gz OMQYJKOCGOEBBN-RHSMWYFYSA-N 1 1 277.383 3.332 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cnc(-c2ccccc2)nc1 ZINC000679219686 543601273 /nfs/dbraw/zinc/60/12/73/543601273.db2.gz SMTNEUKFLOTVFT-UHFFFAOYSA-N 1 1 253.349 3.152 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679357914 543627073 /nfs/dbraw/zinc/62/70/73/543627073.db2.gz GINUHWPKBGOASC-UKRRQHHQSA-N 1 1 263.356 3.431 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000679357914 543627076 /nfs/dbraw/zinc/62/70/76/543627076.db2.gz GINUHWPKBGOASC-UKRRQHHQSA-N 1 1 263.356 3.431 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000679540440 543644032 /nfs/dbraw/zinc/64/40/32/543644032.db2.gz MCVMYAXMGDZDGW-CVEARBPZSA-N 1 1 257.377 3.189 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCCc3ccccc3CC2)C1 ZINC000334634321 225180854 /nfs/dbraw/zinc/18/08/54/225180854.db2.gz DHZXBMMWFVETRD-PBHICJAKSA-N 1 1 254.377 3.170 20 30 CGEDMO C=CCOCC[NH2+][C@H](C)c1csc(C(C)C)n1 ZINC000681108392 543766979 /nfs/dbraw/zinc/76/69/79/543766979.db2.gz AYPKYGDJWVPDLA-LLVKDONJSA-N 1 1 254.399 3.120 20 30 CGEDMO C=CCC[N@H+](C)Cc1cn2cc(Br)ccc2n1 ZINC000682435217 543844946 /nfs/dbraw/zinc/84/49/46/543844946.db2.gz NEFODPXFXTZCDS-UHFFFAOYSA-N 1 1 294.196 3.105 20 30 CGEDMO Cc1[nH+]cn(-c2ccc(NC(=O)C3(C#N)CCC3)cc2)c1C ZINC000336491955 227060332 /nfs/dbraw/zinc/06/03/32/227060332.db2.gz AARVCSHLKMQXQQ-UHFFFAOYSA-N 1 1 294.358 3.122 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CCC[C@H]2CC(C)(C)C)nn1 ZINC000653525160 419042111 /nfs/dbraw/zinc/04/21/11/419042111.db2.gz CTSCDOYMANOLEE-HNNXBMFYSA-N 1 1 276.428 3.255 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000659821716 418999709 /nfs/dbraw/zinc/99/97/09/418999709.db2.gz FCHFDHGUZMSEIV-KZNAEPCWSA-N 1 1 298.430 3.122 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000660430948 419142995 /nfs/dbraw/zinc/14/29/95/419142995.db2.gz XMGKRPIBRFGNBI-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)C[C@H](OC)[C@@H]1CCOC1 ZINC000660446974 419145289 /nfs/dbraw/zinc/14/52/89/419145289.db2.gz VSMXDDNKAODRSY-MSOLQXFVSA-N 1 1 289.419 3.116 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cc(OC)no1)Cc1ccccc1 ZINC000660445882 419145983 /nfs/dbraw/zinc/14/59/83/419145983.db2.gz KPNBSJGRFICMEI-UHFFFAOYSA-N 1 1 272.348 3.262 20 30 CGEDMO C=C(C)C[N@H+](Cc1cc(OC)no1)Cc1ccccc1 ZINC000660445882 419145987 /nfs/dbraw/zinc/14/59/87/419145987.db2.gz KPNBSJGRFICMEI-UHFFFAOYSA-N 1 1 272.348 3.262 20 30 CGEDMO C=CCCC[N@@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000660716200 419184637 /nfs/dbraw/zinc/18/46/37/419184637.db2.gz DMWNJVSXVZMODP-UHFFFAOYSA-N 1 1 274.412 3.304 20 30 CGEDMO C=CC[N@@H+](C[C@@H]1C[C@H]1c1ccccc1)[C@H](C)COC ZINC000661239360 419242997 /nfs/dbraw/zinc/24/29/97/419242997.db2.gz FYTPRMZNBYUQGK-PVAVHDDUSA-N 1 1 259.393 3.313 20 30 CGEDMO C=CC[N@H+](Cc1nc2ccccc2s1)[C@H](C)COC ZINC000661238932 419243014 /nfs/dbraw/zinc/24/30/14/419243014.db2.gz HVRVELFFPJHWIT-GFCCVEGCSA-N 1 1 276.405 3.319 20 30 CGEDMO C=CC[N@@H+](Cc1nc2ccccc2s1)[C@H](C)COC ZINC000661238932 419243015 /nfs/dbraw/zinc/24/30/15/419243015.db2.gz HVRVELFFPJHWIT-GFCCVEGCSA-N 1 1 276.405 3.319 20 30 CGEDMO C=CC[N@H+](Cc1ncccc1C(F)(F)F)[C@H](C)COC ZINC000661238960 419243206 /nfs/dbraw/zinc/24/32/06/419243206.db2.gz AVKRRFWBAQXUCT-LLVKDONJSA-N 1 1 288.313 3.123 20 30 CGEDMO C=CC[N@@H+](Cc1ncccc1C(F)(F)F)[C@H](C)COC ZINC000661238960 419243207 /nfs/dbraw/zinc/24/32/07/419243207.db2.gz AVKRRFWBAQXUCT-LLVKDONJSA-N 1 1 288.313 3.123 20 30 CGEDMO C=CC[N@H+](Cc1ccc(C(F)(F)F)cn1)[C@H](C)COC ZINC000661240689 419243718 /nfs/dbraw/zinc/24/37/18/419243718.db2.gz QDDWLTVQOMFBSD-LLVKDONJSA-N 1 1 288.313 3.123 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(C(F)(F)F)cn1)[C@H](C)COC ZINC000661240689 419243720 /nfs/dbraw/zinc/24/37/20/419243720.db2.gz QDDWLTVQOMFBSD-LLVKDONJSA-N 1 1 288.313 3.123 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CCc2csc(C)n2)C1 ZINC000661381687 419255145 /nfs/dbraw/zinc/25/51/45/419255145.db2.gz ODVWHBAUCMEHRD-CYBMUJFWSA-N 1 1 250.411 3.282 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CCOCC(F)(F)C(F)F)C1 ZINC000661386906 419256708 /nfs/dbraw/zinc/25/67/08/419256708.db2.gz WFXFQGHNLHLKSR-LLVKDONJSA-N 1 1 283.309 3.192 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661434918 419259366 /nfs/dbraw/zinc/25/93/66/419259366.db2.gz CUOILFVWJFHHTE-UKRRQHHQSA-N 1 1 261.365 3.134 20 30 CGEDMO C=CC[N@H+](CC(=O)N(C)Cc1ccccc1C)C(C)(C)C ZINC000661755598 419295154 /nfs/dbraw/zinc/29/51/54/419295154.db2.gz VNCISLFODLJHAX-UHFFFAOYSA-N 1 1 288.435 3.240 20 30 CGEDMO CC#CC[N@@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000661541995 419271217 /nfs/dbraw/zinc/27/12/17/419271217.db2.gz VEWSLHTYBDPEEV-UHFFFAOYSA-N 1 1 268.385 3.192 20 30 CGEDMO CC#CC[N@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000661541995 419271219 /nfs/dbraw/zinc/27/12/19/419271219.db2.gz VEWSLHTYBDPEEV-UHFFFAOYSA-N 1 1 268.385 3.192 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccc(Cl)cc1 ZINC000662084753 419334212 /nfs/dbraw/zinc/33/42/12/419334212.db2.gz WAKUBVXCZAHASY-GASCZTMLSA-N 1 1 290.794 3.462 20 30 CGEDMO C=C(CC)CN1CC[N@@H+](CC(=C)CC)[C@@H](C)[C@@H]1C ZINC000662226449 419366599 /nfs/dbraw/zinc/36/65/99/419366599.db2.gz ZXPZUFCCMAMWLQ-HOTGVXAUSA-N 1 1 250.430 3.313 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662229119 419366747 /nfs/dbraw/zinc/36/67/47/419366747.db2.gz PLIMYFGKQMQNAO-NEPJUHHUSA-N 1 1 265.319 3.384 20 30 CGEDMO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)Cc1cc(C)[nH]n1 ZINC000657929622 419445339 /nfs/dbraw/zinc/44/53/39/419445339.db2.gz SQEACHNBXKZOSN-XPKDYRNWSA-N 1 1 261.413 3.374 20 30 CGEDMO C=CCCCCCN(C)C(=O)[C@@H]([NH3+])c1ccc(F)cc1F ZINC000662612303 419465147 /nfs/dbraw/zinc/46/51/47/419465147.db2.gz OADBWBMOLSJKLU-HNNXBMFYSA-N 1 1 296.361 3.169 20 30 CGEDMO C=CCOc1ccc(C[NH2+]Cc2nc(C)cs2)cc1 ZINC000037988427 260123044 /nfs/dbraw/zinc/12/30/44/260123044.db2.gz VTMYSLCGCJIYLH-UHFFFAOYSA-N 1 1 274.389 3.306 20 30 CGEDMO C=CCc1ccc(OCCCn2cc[nH+]c2C)c(OC)c1 ZINC000298515294 260155775 /nfs/dbraw/zinc/15/57/75/260155775.db2.gz PIMBFGBFHKYCHJ-UHFFFAOYSA-N 1 1 286.375 3.398 20 30 CGEDMO CCCCC(N)=[NH+]OCC(=O)Nc1c(C)cc(C)cc1C ZINC000063460178 260240009 /nfs/dbraw/zinc/24/00/09/260240009.db2.gz UGYXOAARWJDLLV-UHFFFAOYSA-N 1 1 291.395 3.029 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCCC[C@H]1c1ncc[nH]1 ZINC000092730161 260499560 /nfs/dbraw/zinc/49/95/60/260499560.db2.gz HZDPGGMVBSWFPG-ZDUSSCGKSA-N 1 1 260.385 3.267 20 30 CGEDMO C=CCOc1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2CC)c1 ZINC000104318660 261293064 /nfs/dbraw/zinc/29/30/64/261293064.db2.gz SRAPCWAOAKLDNY-INIZCTEOSA-N 1 1 288.391 3.064 20 30 CGEDMO C=CC[N@@H+](CCOC)Cc1cccc(OC)c1OC(C)C ZINC000361636538 261363369 /nfs/dbraw/zinc/36/33/69/261363369.db2.gz HZRUSKNXEMMKSQ-UHFFFAOYSA-N 1 1 293.407 3.117 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cccc(OC)c1OC(C)C ZINC000361636538 261363370 /nfs/dbraw/zinc/36/33/70/261363370.db2.gz HZRUSKNXEMMKSQ-UHFFFAOYSA-N 1 1 293.407 3.117 20 30 CGEDMO CCOCc1cc(C[NH2+][C@@H](CC)CC#N)ccc1OC ZINC000184083463 262008074 /nfs/dbraw/zinc/00/80/74/262008074.db2.gz WIAAFOXPHRPECS-HNNXBMFYSA-N 1 1 276.380 3.014 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000497255432 262124891 /nfs/dbraw/zinc/12/48/91/262124891.db2.gz XJTYVEBJCBVEKZ-CQSZACIVSA-N 1 1 282.428 3.189 20 30 CGEDMO C=C(Br)C[N@@H+]1CCCC[C@@H](CCOC)C1 ZINC000368654690 262199008 /nfs/dbraw/zinc/19/90/08/262199008.db2.gz BJWZSTWBIQCDME-LBPRGKRZSA-N 1 1 276.218 3.034 20 30 CGEDMO N#CCC[NH2+]Cc1cccc(Oc2ccccc2)c1 ZINC000020199356 262232757 /nfs/dbraw/zinc/23/27/57/262232757.db2.gz LXCNYHJPBALXCB-UHFFFAOYSA-N 1 1 252.317 3.482 20 30 CGEDMO C=CCCN1C[C@H](CC)[N@H+](CCC=C)C[C@H]1CC ZINC000119075781 262271120 /nfs/dbraw/zinc/27/11/20/262271120.db2.gz KOWAISOYURPCMM-IYBDPMFKSA-N 1 1 250.430 3.313 20 30 CGEDMO C=CCCN1C[C@@H](CC)[N@@H+](CCC=C)C[C@@H]1CC ZINC000119075781 262271121 /nfs/dbraw/zinc/27/11/21/262271121.db2.gz KOWAISOYURPCMM-IYBDPMFKSA-N 1 1 250.430 3.313 20 30 CGEDMO C=CCCN1C[C@@H](CC)[N@H+](CCC=C)C[C@@H]1CC ZINC000119075781 262271122 /nfs/dbraw/zinc/27/11/22/262271122.db2.gz KOWAISOYURPCMM-IYBDPMFKSA-N 1 1 250.430 3.313 20 30 CGEDMO C=CCC[C@@H]([NH2+]Cc1nnc(CC)[nH]1)c1ccccc1 ZINC000160475013 262273421 /nfs/dbraw/zinc/27/34/21/262273421.db2.gz VERAZHBOAGTBMJ-CQSZACIVSA-N 1 1 270.380 3.164 20 30 CGEDMO C[N@@H+](CCCC#N)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000161236426 262312093 /nfs/dbraw/zinc/31/20/93/262312093.db2.gz RGLSTCKLUSXMGW-UHFFFAOYSA-N 1 1 282.391 3.245 20 30 CGEDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1CCCCC(C)(C)C#N ZINC000336806205 262395887 /nfs/dbraw/zinc/39/58/87/262395887.db2.gz LAEJYFKGNQXPQH-LSDHHAIUSA-N 1 1 266.429 3.332 20 30 CGEDMO C=CC[N@H+](CCCC(=O)NCCC)Cc1ccccc1F ZINC000411182651 262683541 /nfs/dbraw/zinc/68/35/41/262683541.db2.gz BSMZQSWUVYTSOQ-UHFFFAOYSA-N 1 1 292.398 3.120 20 30 CGEDMO C[N@@H+](CCC(C)(C)C#N)Cc1ccc(F)c(F)c1 ZINC000271955198 263000650 /nfs/dbraw/zinc/00/06/50/263000650.db2.gz BTMIDCCASKVMNI-UHFFFAOYSA-N 1 1 252.308 3.336 20 30 CGEDMO C[N@@H+](CCC(C)(C)C#N)[C@@H]1CCc2ccccc2C1 ZINC000271999072 263001186 /nfs/dbraw/zinc/00/11/86/263001186.db2.gz GZBHUJZSQJONLR-MRXNPFEDSA-N 1 1 256.393 3.416 20 30 CGEDMO Cc1cccc([C@H]2CC[N@@H+](C[C@@H](C#N)CCC#N)C2)c1 ZINC000273058597 263011770 /nfs/dbraw/zinc/01/17/70/263011770.db2.gz HHSNZBOFWQWITL-WBVHZDCISA-N 1 1 267.376 3.228 20 30 CGEDMO C[C@H](CCC#N)[N@H+](C)Cc1nc2ccccc2s1 ZINC000276260142 263035222 /nfs/dbraw/zinc/03/52/22/263035222.db2.gz AYEYAMMMOORELU-LLVKDONJSA-N 1 1 259.378 3.420 20 30 CGEDMO C[C@H](CCC#N)[N@@H+](C)Cc1nc2ccccc2s1 ZINC000276260142 263035223 /nfs/dbraw/zinc/03/52/23/263035223.db2.gz AYEYAMMMOORELU-LLVKDONJSA-N 1 1 259.378 3.420 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000366594612 263067972 /nfs/dbraw/zinc/06/79/72/263067972.db2.gz SQVMTSATKSNIOE-CVEARBPZSA-N 1 1 267.413 3.003 20 30 CGEDMO CC[N@H+](CCC#N)Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000282729686 263078289 /nfs/dbraw/zinc/07/82/89/263078289.db2.gz DHZCTZMNKDXWRK-UHFFFAOYSA-N 1 1 282.391 3.131 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000282729686 263078290 /nfs/dbraw/zinc/07/82/90/263078290.db2.gz DHZCTZMNKDXWRK-UHFFFAOYSA-N 1 1 282.391 3.131 20 30 CGEDMO CC[N@H+](Cc1ccccc1C(C)(C)C#N)C[C@H](C)OC ZINC000291343586 263121546 /nfs/dbraw/zinc/12/15/46/263121546.db2.gz WZTWBJLKZYEUQV-AWEZNQCLSA-N 1 1 274.408 3.345 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000292859782 263135816 /nfs/dbraw/zinc/13/58/16/263135816.db2.gz RIVCCZFCYUHGRN-ZACQAIPSSA-N 1 1 254.377 3.243 20 30 CGEDMO CC[C@@H]1CN([C@@H]2CC[C@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000294631404 263164921 /nfs/dbraw/zinc/16/49/21/263164921.db2.gz PIJCTWJTMAOHIC-IPMKNSEASA-N 1 1 297.446 3.275 20 30 CGEDMO CC[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)CCN1Cc1ccccc1 ZINC000294631404 263164922 /nfs/dbraw/zinc/16/49/22/263164922.db2.gz PIJCTWJTMAOHIC-IPMKNSEASA-N 1 1 297.446 3.275 20 30 CGEDMO CC[C@@H]1C[N@H+]([C@@H]2CC[C@H](C#N)C2)CCN1Cc1ccccc1 ZINC000294631404 263164923 /nfs/dbraw/zinc/16/49/23/263164923.db2.gz PIJCTWJTMAOHIC-IPMKNSEASA-N 1 1 297.446 3.275 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@H](COc3ccccc3)C2)C1 ZINC000294690095 263166361 /nfs/dbraw/zinc/16/63/61/263166361.db2.gz TUSRHUARJWJUBJ-PMPSAXMXSA-N 1 1 270.376 3.080 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@]23CCOC3)cc1 ZINC000342839579 263528110 /nfs/dbraw/zinc/52/81/10/263528110.db2.gz IPKJTRHCRHZGNI-KRWDZBQOSA-N 1 1 273.376 3.006 20 30 CGEDMO CCc1nc(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)co1 ZINC000330844038 264066401 /nfs/dbraw/zinc/06/64/01/264066401.db2.gz OEMQKFVIMZOLLC-GFCCVEGCSA-N 1 1 293.411 3.052 20 30 CGEDMO CO[C@H](C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1)C1CC1 ZINC000425422931 264312859 /nfs/dbraw/zinc/31/28/59/264312859.db2.gz SVKZSINZDMAFLA-RCCFBDPRSA-N 1 1 284.403 3.183 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)c1nc(-c2cccnc2)no1 ZINC000076801646 264343922 /nfs/dbraw/zinc/34/39/22/264343922.db2.gz IXVCNXRDMLGGDF-GFCCVEGCSA-N 1 1 272.352 3.091 20 30 CGEDMO C=CCC[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000132579341 264392910 /nfs/dbraw/zinc/39/29/10/264392910.db2.gz KZGBJBZRLPZLMQ-CQSZACIVSA-N 1 1 251.757 3.289 20 30 CGEDMO CCN(CC)[C@H](C[NH2+]Cc1ccc(C#N)cc1)CC(C)C ZINC000236892824 266120428 /nfs/dbraw/zinc/12/04/28/266120428.db2.gz HTMGRXHQYMRBDY-SFHVURJKSA-N 1 1 287.451 3.404 20 30 CGEDMO CCCCN(CCCC)C(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000356474924 266122603 /nfs/dbraw/zinc/12/26/03/266122603.db2.gz LVNYDJLUOAMMSQ-UHFFFAOYSA-N 1 1 293.455 3.041 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC[C@@H]2CCCO2)cc1)C1CC1 ZINC000357552335 266321460 /nfs/dbraw/zinc/32/14/60/266321460.db2.gz MCWXDCUYSONRPK-SFHVURJKSA-N 1 1 287.403 3.395 20 30 CGEDMO CC(C)(C)[C@@H]1CCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000525273940 270118740 /nfs/dbraw/zinc/11/87/40/270118740.db2.gz OLKJAMBQJPIYSI-INIZCTEOSA-N 1 1 272.392 3.448 20 30 CGEDMO C=C(CC)C[N@@H+](C)Cc1ccc(Br)o1 ZINC000358629284 266483618 /nfs/dbraw/zinc/48/36/18/266483618.db2.gz LQBCRMNDJQDALI-UHFFFAOYSA-N 1 1 258.159 3.440 20 30 CGEDMO C[C@@H]1CCSCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000279251193 267025694 /nfs/dbraw/zinc/02/56/94/267025694.db2.gz LDTSSRUBEWOYKY-LLVKDONJSA-N 1 1 264.369 3.025 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000362861608 267055038 /nfs/dbraw/zinc/05/50/38/267055038.db2.gz AIHDCTFEAPPPCV-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO CCCCCCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000363115185 267075249 /nfs/dbraw/zinc/07/52/49/267075249.db2.gz KIFOSSJVPZYJET-CVEARBPZSA-N 1 1 280.456 3.432 20 30 CGEDMO N#CC1(C[NH2+]Cc2cccc(OC(F)F)c2)CCC1 ZINC000418142351 267363548 /nfs/dbraw/zinc/36/35/48/267363548.db2.gz MXSZTPPLSNHQCB-UHFFFAOYSA-N 1 1 266.291 3.071 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)c1 ZINC000371330108 267391459 /nfs/dbraw/zinc/39/14/59/267391459.db2.gz AQCKNWITQGVVGP-IRXDYDNUSA-N 1 1 287.403 3.110 20 30 CGEDMO C=C(C)C[N@H+](Cc1cccc(OC)c1)C1CCC(O)CC1 ZINC000303406173 267658141 /nfs/dbraw/zinc/65/81/41/267658141.db2.gz RBJCOBWJJSSFNC-UHFFFAOYSA-N 1 1 289.419 3.377 20 30 CGEDMO CC[N@H+](CCO[C@@H]1CCCC[C@@H]1C)C[C@H](C)C#N ZINC000353287832 276133886 /nfs/dbraw/zinc/13/38/86/276133886.db2.gz SLWQMNCGXSSMIM-QLFBSQMISA-N 1 1 252.402 3.063 20 30 CGEDMO CC[N@@H+](CCO[C@@H]1CCCC[C@@H]1C)C[C@H](C)C#N ZINC000353287832 276133887 /nfs/dbraw/zinc/13/38/87/276133887.db2.gz SLWQMNCGXSSMIM-QLFBSQMISA-N 1 1 252.402 3.063 20 30 CGEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCOC1 ZINC000342672163 277381252 /nfs/dbraw/zinc/38/12/52/277381252.db2.gz LDLBDGKQEYCVSR-GOSISDBHSA-N 1 1 286.419 3.443 20 30 CGEDMO C[C@@H](C#N)C[N@H+](Cc1ccccc1-c1ccnn1C)C1CC1 ZINC000351729990 278182452 /nfs/dbraw/zinc/18/24/52/278182452.db2.gz KNCPISQUGGQHKD-AWEZNQCLSA-N 1 1 294.402 3.211 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](Cc1ccccc1-c1ccnn1C)C1CC1 ZINC000351729990 278182453 /nfs/dbraw/zinc/18/24/53/278182453.db2.gz KNCPISQUGGQHKD-AWEZNQCLSA-N 1 1 294.402 3.211 20 30 CGEDMO C[C@H](O)C[N@@H+](Cc1ccc(F)cc1C#N)C1CCCCC1 ZINC000104684834 278289153 /nfs/dbraw/zinc/28/91/53/278289153.db2.gz PGHAQBPHRHYRNN-ZDUSSCGKSA-N 1 1 290.382 3.213 20 30 CGEDMO C[C@H]1c2ccccc2CC[N@H+]1Cc1ccc(C#N)o1 ZINC000093149417 280126631 /nfs/dbraw/zinc/12/66/31/280126631.db2.gz MXHCZFJWTRBEOA-LBPRGKRZSA-N 1 1 252.317 3.271 20 30 CGEDMO C[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(C#N)o1 ZINC000093149417 280126633 /nfs/dbraw/zinc/12/66/33/280126633.db2.gz MXHCZFJWTRBEOA-LBPRGKRZSA-N 1 1 252.317 3.271 20 30 CGEDMO Cc1ccc2c(c1)CC[N@@H+](Cc1ccc(C#N)o1)C2 ZINC000361732023 281054138 /nfs/dbraw/zinc/05/41/38/281054138.db2.gz JBXHYZAVPXCOSN-UHFFFAOYSA-N 1 1 252.317 3.018 20 30 CGEDMO Cc1ccc2c(c1)CC[N@H+](Cc1ccc(C#N)o1)C2 ZINC000361732023 281054141 /nfs/dbraw/zinc/05/41/41/281054141.db2.gz JBXHYZAVPXCOSN-UHFFFAOYSA-N 1 1 252.317 3.018 20 30 CGEDMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)cn1 ZINC000551060397 289097353 /nfs/dbraw/zinc/09/73/53/289097353.db2.gz TXEMQCBNMZWBQI-GFCCVEGCSA-N 1 1 283.297 3.116 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1F)[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000334531257 290222836 /nfs/dbraw/zinc/22/28/36/290222836.db2.gz QYZBSYRYLJGOLI-DYVFJYSZSA-N 1 1 288.366 3.261 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@H]1CN1CCCCC1 ZINC000571511036 328129316 /nfs/dbraw/zinc/12/93/16/328129316.db2.gz LTTMMZUIXLXDMZ-INIZCTEOSA-N 1 1 250.430 3.293 20 30 CGEDMO C=CCCCCN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000571511036 328129318 /nfs/dbraw/zinc/12/93/18/328129318.db2.gz LTTMMZUIXLXDMZ-INIZCTEOSA-N 1 1 250.430 3.293 20 30 CGEDMO N#CCCCC[N@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000267392999 328177745 /nfs/dbraw/zinc/17/77/45/328177745.db2.gz HQRFKKZJUJBKSP-SFHVURJKSA-N 1 1 286.419 3.442 20 30 CGEDMO CC(C)[N@H+]1CCCN(Cc2ccccc2C(C)(C)C#N)CC1 ZINC000268953943 328187295 /nfs/dbraw/zinc/18/72/95/328187295.db2.gz GGEWLTZUXSVMAL-UHFFFAOYSA-N 1 1 299.462 3.404 20 30 CGEDMO C[C@@H](C#N)C[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000269023457 328188837 /nfs/dbraw/zinc/18/88/37/328188837.db2.gz ZTRIMCMTENNLJU-ZDUSSCGKSA-N 1 1 255.365 3.079 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000269023457 328188839 /nfs/dbraw/zinc/18/88/39/328188839.db2.gz ZTRIMCMTENNLJU-ZDUSSCGKSA-N 1 1 255.365 3.079 20 30 CGEDMO C[C@@H](CCC#N)[N@@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000276347918 328217950 /nfs/dbraw/zinc/21/79/50/328217950.db2.gz VSFUHGRIJWOKAN-LZWOXQAQSA-N 1 1 258.365 3.141 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000276347918 328217951 /nfs/dbraw/zinc/21/79/51/328217951.db2.gz VSFUHGRIJWOKAN-LZWOXQAQSA-N 1 1 258.365 3.141 20 30 CGEDMO N#CCCOCC[N@H+]1CCCC[C@H]1c1ccccc1 ZINC000294585937 328281917 /nfs/dbraw/zinc/28/19/17/328281917.db2.gz MWLWNBPXYVSEFU-INIZCTEOSA-N 1 1 258.365 3.144 20 30 CGEDMO CCc1ccc([C@@H]2C[N@@H+]([C@H]3CC[C@H](C#N)C3)CCO2)cc1 ZINC000294687328 328282509 /nfs/dbraw/zinc/28/25/09/328282509.db2.gz SXHPCIQSJNABLW-SZMVWBNQSA-N 1 1 284.403 3.315 20 30 CGEDMO CCc1ccc([C@@H]2C[N@H+]([C@H]3CC[C@H](C#N)C3)CCO2)cc1 ZINC000294687328 328282511 /nfs/dbraw/zinc/28/25/11/328282511.db2.gz SXHPCIQSJNABLW-SZMVWBNQSA-N 1 1 284.403 3.315 20 30 CGEDMO C[N@@H+](CC1(c2ccccc2)CC1)[C@@H]1CC[C@@H](C#N)C1 ZINC000294755029 328283020 /nfs/dbraw/zinc/28/30/20/328283020.db2.gz XVQQVKYCBRYCNG-GDBMZVCRSA-N 1 1 254.377 3.342 20 30 CGEDMO CC(C)C[N@@H+](Cc1cnc2c(C#N)cnn2c1)C1CCCC1 ZINC000563887596 322014514 /nfs/dbraw/zinc/01/45/14/322014514.db2.gz GTVGGTCZHINLOL-UHFFFAOYSA-N 1 1 297.406 3.002 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C[C@@H]1CC=CCC1 ZINC000566741231 322136286 /nfs/dbraw/zinc/13/62/86/322136286.db2.gz UMKQZRHXQJPRFA-CYBMUJFWSA-N 1 1 285.347 3.255 20 30 CGEDMO CC(C)CC[C@H]1CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000567176317 322153124 /nfs/dbraw/zinc/15/31/24/322153124.db2.gz AVNLVYJQAVAKAC-MRXNPFEDSA-N 1 1 257.381 3.354 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H](C)C(C)C ZINC000569851948 322258883 /nfs/dbraw/zinc/25/88/83/322258883.db2.gz NERNHVTTWQRTHP-GFCCVEGCSA-N 1 1 275.352 3.333 20 30 CGEDMO C[C@H](C[N@@H+](Cc1ccc(C#N)o1)[C@@H](C)CO)c1ccccc1 ZINC000571722883 322306222 /nfs/dbraw/zinc/30/62/22/322306222.db2.gz VIUCGVYKJODCQL-CABCVRRESA-N 1 1 298.386 3.138 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCCc2sccc21 ZINC000558679170 327113648 /nfs/dbraw/zinc/11/36/48/327113648.db2.gz LVRUBPHLEQDYHZ-DGCLKSJQSA-N 1 1 259.378 3.159 20 30 CGEDMO Cc1nc(C)c([C@H](C)[N@@H+](C)CCCSCC#N)s1 ZINC000074990487 327122804 /nfs/dbraw/zinc/12/28/04/327122804.db2.gz CHPJTLLMQPVXTF-NSHDSACASA-N 1 1 283.466 3.400 20 30 CGEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2C)c1C ZINC000076115594 327129005 /nfs/dbraw/zinc/12/90/05/327129005.db2.gz JXCYPKAXQZUARM-OAHLLOKOSA-N 1 1 299.418 3.034 20 30 CGEDMO COc1ccc(C[C@H](C)C[N@@H+](C)[C@H]2CC[C@H](C#N)C2)cc1 ZINC000559146021 327143228 /nfs/dbraw/zinc/14/32/28/327143228.db2.gz ZSSWFOPCHQFJRM-XIRDDKMYSA-N 1 1 286.419 3.498 20 30 CGEDMO C=CCCCC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425000802 327168505 /nfs/dbraw/zinc/16/85/05/327168505.db2.gz CAHGUVFGTSWBLD-ZWKOTPCHSA-N 1 1 298.430 3.076 20 30 CGEDMO C=CC[N@@H+]1CCCN(c2cccc(Cl)c2C)CC1 ZINC000518578599 327177656 /nfs/dbraw/zinc/17/76/56/327177656.db2.gz VEJYNZGSEMWZOL-UHFFFAOYSA-N 1 1 264.800 3.347 20 30 CGEDMO N#CC1CC[NH+](C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000569445119 327178256 /nfs/dbraw/zinc/17/82/56/327178256.db2.gz GQYGEVMUAKWKSZ-UPHRSURJSA-N 1 1 262.303 3.214 20 30 CGEDMO C[C@@H]1C[NH+](Cc2ccccc2C(C)(C)C#N)C[C@@H](C)O1 ZINC000135093037 327503377 /nfs/dbraw/zinc/50/33/77/327503377.db2.gz KPUYDVCJBZVXEP-ZIAGYGMSSA-N 1 1 272.392 3.097 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000378520016 329053928 /nfs/dbraw/zinc/05/39/28/329053928.db2.gz MSCIBMDFSXLSPQ-KRWDZBQOSA-N 1 1 290.382 3.049 20 30 CGEDMO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(Cl)cc1 ZINC000194076090 329065452 /nfs/dbraw/zinc/06/54/52/329065452.db2.gz LSUBWJKPWIOHSN-NEPJUHHUSA-N 1 1 261.756 3.434 20 30 CGEDMO CC1(C)C[N@@H+](CCOc2ccccc2C#N)[C@@H]2CCC[C@H]21 ZINC000393558833 329087328 /nfs/dbraw/zinc/08/73/28/329087328.db2.gz NDXAFNPWZXSNTG-HZPDHXFCSA-N 1 1 284.403 3.448 20 30 CGEDMO CC[C@H](O)[C@H]1CCCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000177163560 329180632 /nfs/dbraw/zinc/18/06/32/329180632.db2.gz AOUSZUOVKNCQQM-SJORKVTESA-N 1 1 291.822 3.317 20 30 CGEDMO C=C(C)C[N@@H+](C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000181266741 329228849 /nfs/dbraw/zinc/22/88/49/329228849.db2.gz LPJKRNKNLRMEAE-UHFFFAOYSA-N 1 1 299.418 3.058 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000181266741 329228850 /nfs/dbraw/zinc/22/88/50/329228850.db2.gz LPJKRNKNLRMEAE-UHFFFAOYSA-N 1 1 299.418 3.058 20 30 CGEDMO CCC[N@@H+](CC(=O)OC(C)(C)C)CC(C)(C)CCC#N ZINC000184349798 329259289 /nfs/dbraw/zinc/25/92/89/329259289.db2.gz TTZQWYOALFYEJP-UHFFFAOYSA-N 1 1 282.428 3.370 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1CC[N@@H+](C)CC12CCCCC2 ZINC000185947602 329333141 /nfs/dbraw/zinc/33/31/41/329333141.db2.gz ALXIHRQJTOZVLO-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO N#CCC1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000397182106 329346259 /nfs/dbraw/zinc/34/62/59/329346259.db2.gz YKLXVCBYBMKSLX-UHFFFAOYSA-N 1 1 293.754 3.374 20 30 CGEDMO CCC(CC)n1ccc(C[NH+]2CCC(CC#N)CC2)n1 ZINC000397274501 329347538 /nfs/dbraw/zinc/34/75/38/329347538.db2.gz KMNAXIBHCRWXKI-UHFFFAOYSA-N 1 1 274.412 3.370 20 30 CGEDMO CC(C)c1nnc2n1CC[N@@H+](CCCC(C)(C)C#N)[C@H]2C ZINC000189511503 329382934 /nfs/dbraw/zinc/38/29/34/329382934.db2.gz CYEUDXTWBXUVOW-ZDUSSCGKSA-N 1 1 289.427 3.108 20 30 CGEDMO CC(C)c1nnc2n1CC[N@H+](CCCC(C)(C)C#N)[C@H]2C ZINC000189511503 329382935 /nfs/dbraw/zinc/38/29/35/329382935.db2.gz CYEUDXTWBXUVOW-ZDUSSCGKSA-N 1 1 289.427 3.108 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)CCC1 ZINC000189625382 329384584 /nfs/dbraw/zinc/38/45/84/329384584.db2.gz CUJMXDOMOFBNNS-MRXNPFEDSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC(CC=C)C(=O)Nc1cccnc1-n1cc[nH+]c1C ZINC000124670899 329572650 /nfs/dbraw/zinc/57/26/50/329572650.db2.gz MUTPTJPUCGNKFK-UHFFFAOYSA-N 1 1 296.374 3.283 20 30 CGEDMO C=CCC[N@H+](C)CCC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000276420164 330113712 /nfs/dbraw/zinc/11/37/12/330113712.db2.gz MMWQITMBUQOOLR-UHFFFAOYSA-N 1 1 296.798 3.185 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2[C@H](C)C[C@@H]2C)cc1OC ZINC000527529704 330258425 /nfs/dbraw/zinc/25/84/25/330258425.db2.gz UXPFOZUHZZAENT-BETUJISGSA-N 1 1 261.365 3.243 20 30 CGEDMO C=CCn1cc(C[NH2+][C@@H](C)c2cccc(C(C)C)c2)nn1 ZINC000527912840 330290781 /nfs/dbraw/zinc/29/07/81/330290781.db2.gz VSFFVZFPVXBDEW-AWEZNQCLSA-N 1 1 284.407 3.438 20 30 CGEDMO C=CCn1cc(C[NH2+][C@H](C)c2cccc(C(C)C)c2)nn1 ZINC000527912842 330290806 /nfs/dbraw/zinc/29/08/06/330290806.db2.gz VSFFVZFPVXBDEW-CQSZACIVSA-N 1 1 284.407 3.438 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000533100474 330335479 /nfs/dbraw/zinc/33/54/79/330335479.db2.gz HZBXHURFQBTHRM-LBPRGKRZSA-N 1 1 251.757 3.369 20 30 CGEDMO C=CCn1cc(C[NH2+][C@@H](CCC)c2ccsc2)nn1 ZINC000424300274 330337037 /nfs/dbraw/zinc/33/70/37/330337037.db2.gz XHWIQEDGQZFAFH-AWEZNQCLSA-N 1 1 276.409 3.157 20 30 CGEDMO CC(C)(C)c1nnc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)s1 ZINC000447573749 330870554 /nfs/dbraw/zinc/87/05/54/330870554.db2.gz JAKRJPPQLBWDET-WDEREUQCSA-N 1 1 278.425 3.008 20 30 CGEDMO C=CCC1(C(=O)N2CC[NH+](CCC)CC2)CCCCC1 ZINC000448900469 330887430 /nfs/dbraw/zinc/88/74/30/330887430.db2.gz ZNEUWIYSBJVLTH-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCC[C@@H]([NH2+][C@@H](C)C1CCSCC1)C(=O)OCC ZINC000449654615 330942105 /nfs/dbraw/zinc/94/21/05/330942105.db2.gz FEFULEDMABGZPX-GXTWGEPZSA-N 1 1 285.453 3.006 20 30 CGEDMO C=CC[C@H]1[N@H+](Cc2cn(CC3CC3)nn2)CCCC1(C)C ZINC000450873313 331004181 /nfs/dbraw/zinc/00/41/81/331004181.db2.gz SVDZGIJJJIQSMV-MRXNPFEDSA-N 1 1 288.439 3.255 20 30 CGEDMO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@@H+]1CC1(C#N)CC1 ZINC000451145593 331017443 /nfs/dbraw/zinc/01/74/43/331017443.db2.gz KVHASCKDMUGNNK-HBNTYKKESA-N 1 1 260.303 3.341 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1[C@H](C)[C@H](CC(F)(F)F)C[C@@H]1C ZINC000451150465 331017785 /nfs/dbraw/zinc/01/77/85/331017785.db2.gz WOHCMCAEXZGABR-QNWHQSFQSA-N 1 1 279.346 3.365 20 30 CGEDMO C=CCOCC[N@@H+]1[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]1C ZINC000451149575 331017799 /nfs/dbraw/zinc/01/77/99/331017799.db2.gz QIQBPROFXYEMAD-QJPTWQEYSA-N 1 1 265.319 3.240 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000451216146 331020853 /nfs/dbraw/zinc/02/08/53/331020853.db2.gz MHVZNLYIKNVLPC-HUUCEWRRSA-N 1 1 280.456 3.345 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000451412879 331028298 /nfs/dbraw/zinc/02/82/98/331028298.db2.gz OQYLXJSEVUFVCW-HNNXBMFYSA-N 1 1 278.440 3.112 20 30 CGEDMO CC[C@H]1C[N@@H+](CC)CCN1CC#Cc1ccccc1Cl ZINC000451740670 331040815 /nfs/dbraw/zinc/04/08/15/331040815.db2.gz MIRSCXBEJHTFFH-INIZCTEOSA-N 1 1 290.838 3.108 20 30 CGEDMO CO[C@H]1C[C@H]([N@@H+](C)CC#Cc2ccc(F)cc2)C12CCC2 ZINC000451834123 331044177 /nfs/dbraw/zinc/04/41/77/331044177.db2.gz ADSUKGVKPHUINK-IRXDYDNUSA-N 1 1 287.378 3.067 20 30 CGEDMO CC(C)C[N@@H+](Cc1cnn(C)c1)CC(C)(C)CCC#N ZINC000453630889 331137394 /nfs/dbraw/zinc/13/73/94/331137394.db2.gz ZOAGGWSVAXDTNP-UHFFFAOYSA-N 1 1 276.428 3.208 20 30 CGEDMO C=C[C@H]1CCCCN1c1cc[nH+]c(N2CCCCC2)n1 ZINC000486501578 331938747 /nfs/dbraw/zinc/93/87/47/331938747.db2.gz SXRFVGNKTBSGEH-AWEZNQCLSA-N 1 1 272.396 3.012 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000488617460 332020450 /nfs/dbraw/zinc/02/04/50/332020450.db2.gz KEYSCKBSNGLBDV-HNNXBMFYSA-N 1 1 292.810 3.343 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000488988172 332036880 /nfs/dbraw/zinc/03/68/80/332036880.db2.gz XOQYLTYTYFUIAH-ZDUSSCGKSA-N 1 1 264.344 3.030 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(F)cc1 ZINC000489401172 332050327 /nfs/dbraw/zinc/05/03/27/332050327.db2.gz IJMOUCPZIUVOJJ-OAHLLOKOSA-N 1 1 276.355 3.195 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2)o1 ZINC000489430456 332051823 /nfs/dbraw/zinc/05/18/23/332051823.db2.gz OZPIFIOPDWGJNM-CQSZACIVSA-N 1 1 269.348 3.277 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccccc2)o1 ZINC000489430456 332051824 /nfs/dbraw/zinc/05/18/24/332051824.db2.gz OZPIFIOPDWGJNM-CQSZACIVSA-N 1 1 269.348 3.277 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)Nc1ccc(Cl)cc1 ZINC000172173536 335096583 /nfs/dbraw/zinc/09/65/83/335096583.db2.gz RDYCNNLCFXPXGV-UHFFFAOYSA-N 1 1 266.772 3.177 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(OCc2ccccn2)cc1 ZINC000491638566 332259222 /nfs/dbraw/zinc/25/92/22/332259222.db2.gz VVXRMUPEWVSOBM-OAHLLOKOSA-N 1 1 280.371 3.114 20 30 CGEDMO C#CC[N@@H+](CCc1cncs1)[C@H]1CCc2ccccc21 ZINC000491651798 332264963 /nfs/dbraw/zinc/26/49/63/332264963.db2.gz JEOIZVQDEWVBCB-KRWDZBQOSA-N 1 1 282.412 3.308 20 30 CGEDMO C#C[C@H](CC)[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000491703732 332297591 /nfs/dbraw/zinc/29/75/91/332297591.db2.gz ICDQJKXWACWWSD-CYBMUJFWSA-N 1 1 256.374 3.312 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)CC/C=C/c2ccccc2)n1 ZINC000491736046 332316429 /nfs/dbraw/zinc/31/64/29/332316429.db2.gz GHVLYFXECXCJHP-XYOKQWHBSA-N 1 1 293.414 3.442 20 30 CGEDMO C#CC[NH+]1CCC(c2nc([C@@H]3CCCC[C@@H]3C)no2)CC1 ZINC000491746370 332324043 /nfs/dbraw/zinc/32/40/43/332324043.db2.gz VBXBZQDOKLYQIW-DZGCQCFKSA-N 1 1 287.407 3.176 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)Cc2cccc3ccoc32)n1 ZINC000491757325 332330222 /nfs/dbraw/zinc/33/02/22/332330222.db2.gz CYZOYOMLBGOROP-UHFFFAOYSA-N 1 1 293.370 3.285 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)Cc2cccc3ccoc32)n1 ZINC000491757325 332330223 /nfs/dbraw/zinc/33/02/23/332330223.db2.gz CYZOYOMLBGOROP-UHFFFAOYSA-N 1 1 293.370 3.285 20 30 CGEDMO C=CCOCC[N@@H+](Cc1ccccc1)[C@@H](C)C1CC1 ZINC000516982472 333088839 /nfs/dbraw/zinc/08/88/39/333088839.db2.gz AVBQSBXJDLNYRJ-HNNXBMFYSA-N 1 1 259.393 3.490 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000186031029 333153670 /nfs/dbraw/zinc/15/36/70/333153670.db2.gz PJOJXJASTMQYQG-ARFHVFGLSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC000187502742 333171887 /nfs/dbraw/zinc/17/18/87/333171887.db2.gz UGMLAIYAQFNLGL-UHFFFAOYSA-N 1 1 261.365 3.340 20 30 CGEDMO C[N@H+](CC#Cc1ccccc1)Cc1cccc(F)c1 ZINC000191905350 333227128 /nfs/dbraw/zinc/22/71/28/333227128.db2.gz MEDURCWFSNESMA-UHFFFAOYSA-N 1 1 253.320 3.309 20 30 CGEDMO C[N@@H+](CC#Cc1ccccc1)Cc1cccc(F)c1 ZINC000191905350 333227130 /nfs/dbraw/zinc/22/71/30/333227130.db2.gz MEDURCWFSNESMA-UHFFFAOYSA-N 1 1 253.320 3.309 20 30 CGEDMO C=CCCCCC[N@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000193326927 333248018 /nfs/dbraw/zinc/24/80/18/333248018.db2.gz VBEKGYGQUCDREG-QGZVFWFLSA-N 1 1 286.419 3.296 20 30 CGEDMO COc1ccc(Cl)cc1C[NH+]1CCC(C)(C#N)CC1 ZINC000227350906 333281360 /nfs/dbraw/zinc/28/13/60/333281360.db2.gz NGNKJOFYMUCYOY-UHFFFAOYSA-N 1 1 278.783 3.474 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)N[C@H](C)c1ccc(CC)cc1 ZINC000523007823 333304375 /nfs/dbraw/zinc/30/43/75/333304375.db2.gz YHSUYKXBQWPCFU-OAHLLOKOSA-N 1 1 288.435 3.324 20 30 CGEDMO C#C[C@@H](CC)[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000229900962 333311151 /nfs/dbraw/zinc/31/11/51/333311151.db2.gz WGWUMWHJQKJBPK-ZDUSSCGKSA-N 1 1 256.374 3.312 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cnn(Cc2ccccc2)c1 ZINC000130490077 333844851 /nfs/dbraw/zinc/84/48/51/333844851.db2.gz NOPYCBCYTWEWHI-UHFFFAOYSA-N 1 1 267.376 3.105 20 30 CGEDMO C=CCC[C@H](C)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000130634300 333861881 /nfs/dbraw/zinc/86/18/81/333861881.db2.gz NNFISIUNDXJXLS-HNNXBMFYSA-N 1 1 274.408 3.285 20 30 CGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1[C@H](C)C[C@@H]1C ZINC000547769529 334116123 /nfs/dbraw/zinc/11/61/23/334116123.db2.gz KNWLHPWSSNYATE-MJBXVCDLSA-N 1 1 292.448 3.134 20 30 CGEDMO Clc1ccccc1C#CC[NH+]1CCC(n2ccnc2)CC1 ZINC000135131880 334117027 /nfs/dbraw/zinc/11/70/27/334117027.db2.gz NRXIVPOCMXWSPB-UHFFFAOYSA-N 1 1 299.805 3.225 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000548094218 334139416 /nfs/dbraw/zinc/13/94/16/334139416.db2.gz FMJGIGXSIARHCG-JYJNAYRXSA-N 1 1 251.414 3.480 20 30 CGEDMO C=CCCC[N@@H+](C)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000548302734 334149915 /nfs/dbraw/zinc/14/99/15/334149915.db2.gz UGXZWQVFYCEQJN-INIZCTEOSA-N 1 1 275.392 3.059 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000548302734 334149917 /nfs/dbraw/zinc/14/99/17/334149917.db2.gz UGXZWQVFYCEQJN-INIZCTEOSA-N 1 1 275.392 3.059 20 30 CGEDMO Cc1cccc(N(CCC#N)C(=O)C[NH+]2[C@@H](C)C[C@@H]2C)c1C ZINC000548424498 334155553 /nfs/dbraw/zinc/15/55/53/334155553.db2.gz OFAZOUKNEINTOP-GJZGRUSLSA-N 1 1 299.418 3.033 20 30 CGEDMO C=CCOCCC[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000548752218 334169870 /nfs/dbraw/zinc/16/98/70/334169870.db2.gz SWRDNLQFRVICOD-HNNXBMFYSA-N 1 1 297.439 3.023 20 30 CGEDMO C[C@@H]([NH2+]CCC#N)c1ccc(OCc2cccnc2)cc1 ZINC000548947503 334181202 /nfs/dbraw/zinc/18/12/02/334181202.db2.gz ZIRKGZFQTZLZBU-CQSZACIVSA-N 1 1 281.359 3.225 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248889947 334320954 /nfs/dbraw/zinc/32/09/54/334320954.db2.gz FQRQANYKHGPPNB-RVKKMQEKSA-N 1 1 292.467 3.358 20 30 CGEDMO CC[N@H+](C[C@H](C)C#N)C[C@@H](C)Cc1ccc(OC)c(F)c1 ZINC000249024585 334325004 /nfs/dbraw/zinc/32/50/04/334325004.db2.gz RGDOQFVUZFBWCJ-UONOGXRCSA-N 1 1 292.398 3.494 20 30 CGEDMO C=CCCC[N@@H+](C)[C@@H](C(=O)OC)c1ccccc1C ZINC000163008268 334393355 /nfs/dbraw/zinc/39/33/55/334393355.db2.gz MJXOPRAPVCAERF-OAHLLOKOSA-N 1 1 261.365 3.107 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C(=O)OC)c1ccccc1C ZINC000163008268 334393357 /nfs/dbraw/zinc/39/33/57/334393357.db2.gz MJXOPRAPVCAERF-OAHLLOKOSA-N 1 1 261.365 3.107 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000576536789 335216977 /nfs/dbraw/zinc/21/69/77/335216977.db2.gz AQRPSAHCLRHWCV-FZMZJTMJSA-N 1 1 289.379 3.396 20 30 CGEDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1Nc1cccc(OCCCC#N)c1 ZINC000346549035 335369026 /nfs/dbraw/zinc/36/90/26/335369026.db2.gz OVTJQNZKQJHOCX-PBHICJAKSA-N 1 1 287.407 3.121 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000577586127 335373946 /nfs/dbraw/zinc/37/39/46/335373946.db2.gz ZHVHHNUCXFZLQQ-ZDUSSCGKSA-N 1 1 253.386 3.006 20 30 CGEDMO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)c2nccn21 ZINC000579437601 335755155 /nfs/dbraw/zinc/75/51/55/335755155.db2.gz AJJWHHFZUXTQLC-JLZZUVOBSA-N 1 1 292.386 3.428 20 30 CGEDMO COC[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccccc1 ZINC000181645122 335776287 /nfs/dbraw/zinc/77/62/87/335776287.db2.gz YLLPOJBEOJJDAF-QGZVFWFLSA-N 1 1 284.334 3.175 20 30 CGEDMO COC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccc(C)o1 ZINC000181848241 335788321 /nfs/dbraw/zinc/78/83/21/335788321.db2.gz ZIDZPFHIYOTGSZ-CJNGLKHVSA-N 1 1 284.359 3.498 20 30 CGEDMO CC[C@@H]1[C@@H](C)CC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000384283524 336123358 /nfs/dbraw/zinc/12/33/58/336123358.db2.gz JCAKUEGJVHWMOO-WMLDXEAASA-N 1 1 272.392 3.448 20 30 CGEDMO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)n[nH]1 ZINC000358557649 533756715 /nfs/dbraw/zinc/75/67/15/533756715.db2.gz CHJYCMFCEBAELD-PWSUYJOCSA-N 1 1 286.354 3.011 20 30 CGEDMO Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)cnn1C ZINC000358562501 533947065 /nfs/dbraw/zinc/94/70/65/533947065.db2.gz GWUSTPHKPOPGBN-WDEREUQCSA-N 1 1 286.354 3.151 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)[C@H]1C ZINC000437832000 534037038 /nfs/dbraw/zinc/03/70/38/534037038.db2.gz DZWNEHUHQKAPIQ-MNOVXSKESA-N 1 1 280.318 3.390 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC1CCC(=O)CC1 ZINC000425530984 534079880 /nfs/dbraw/zinc/07/98/80/534079880.db2.gz GPMWVJDYHFLJKU-ZDUSSCGKSA-N 1 1 270.376 3.310 20 30 CGEDMO CS[C@H]1CCCC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000428363678 534087793 /nfs/dbraw/zinc/08/77/93/534087793.db2.gz MWVICLVEEPVEGF-ZDUSSCGKSA-N 1 1 278.396 3.415 20 30 CGEDMO C[C@@H]1CC[C@](CO)([N@@H+](C)Cc2ccc(C#N)cc2Cl)C1 ZINC000439450786 534264176 /nfs/dbraw/zinc/26/41/76/534264176.db2.gz WYGIJUAUAYFHAW-WBMJQRKESA-N 1 1 292.810 3.195 20 30 CGEDMO N#C[C@H]1CC[C@@H]([NH2+]Cc2c(F)cc(F)c(F)c2F)C1 ZINC000336632831 534754499 /nfs/dbraw/zinc/75/44/99/534754499.db2.gz JMOJUOGXCVUCIG-JGVFFNPUSA-N 1 1 272.245 3.025 20 30 CGEDMO Cc1ccc(N2CCC[N@@H+](Cc3ccc(C#N)o3)CC2)cc1 ZINC000155517861 524947510 /nfs/dbraw/zinc/94/75/10/524947510.db2.gz ZRJXEGCHMYPCCU-UHFFFAOYSA-N 1 1 295.386 3.172 20 30 CGEDMO C[C@H](NCC[C@H]1CCCC[N@@H+]1C)c1ccc(C#N)cc1 ZINC000052205646 525363951 /nfs/dbraw/zinc/36/39/51/525363951.db2.gz LOZMUVUEGLFARY-WMLDXEAASA-N 1 1 271.408 3.083 20 30 CGEDMO C[C@H](NCC[C@H]1CCCC[N@H+]1C)c1ccc(C#N)cc1 ZINC000052205646 525363959 /nfs/dbraw/zinc/36/39/59/525363959.db2.gz LOZMUVUEGLFARY-WMLDXEAASA-N 1 1 271.408 3.083 20 30 CGEDMO C=CCOCCC[N@H+](Cc1ccccc1OC)C1CC1 ZINC000347970826 526749686 /nfs/dbraw/zinc/74/96/86/526749686.db2.gz XAJRDYITENUDEG-UHFFFAOYSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CCOCCC[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000347971815 526753563 /nfs/dbraw/zinc/75/35/63/526753563.db2.gz YTXQLWUORDYPTF-QGZVFWFLSA-N 1 1 259.393 3.286 20 30 CGEDMO C=CCOc1cccc(C[N@H+](C[C@@H](C)OC)C(C)C)c1 ZINC000353779181 526898627 /nfs/dbraw/zinc/89/86/27/526898627.db2.gz HBGVNKJLSLYBRT-OAHLLOKOSA-N 1 1 277.408 3.497 20 30 CGEDMO CC[N@H+]1CC[C@@H](N(C)Cc2cccc(F)c2C#N)C[C@@H]1C ZINC000428243956 527754633 /nfs/dbraw/zinc/75/46/33/527754633.db2.gz XNASUHDJMYYQJY-DZGCQCFKSA-N 1 1 289.398 3.002 20 30 CGEDMO CC(C)[C@@H]1C[N@H+](Cc2cccc(F)c2C#N)CCS1 ZINC000428217661 528747710 /nfs/dbraw/zinc/74/77/10/528747710.db2.gz HMCZCMRRVWSLMA-HNNXBMFYSA-N 1 1 278.396 3.271 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](Cc2cccc(F)c2C#N)CCS1 ZINC000428217661 528747714 /nfs/dbraw/zinc/74/77/14/528747714.db2.gz HMCZCMRRVWSLMA-HNNXBMFYSA-N 1 1 278.396 3.271 20 30 CGEDMO CC[C@H](C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1)OC ZINC000412977317 529334349 /nfs/dbraw/zinc/33/43/49/529334349.db2.gz LVWDIYJYAPDVAU-XJKSGUPXSA-N 1 1 260.381 3.366 20 30 CGEDMO CN(C)c1ccc(C=[NH+]Nc2cccc(F)c2)cc1F ZINC000727651178 571759206 /nfs/dbraw/zinc/75/92/06/571759206.db2.gz LSAMJACXDWKDKD-UHFFFAOYSA-N 1 1 275.302 3.477 20 30 CGEDMO C[N@@H+](Cn1ccc(-c2ccc(C#N)cc2)n1)C1CCCC1 ZINC000744130345 572416808 /nfs/dbraw/zinc/41/68/08/572416808.db2.gz JGSJOYAJZRLLDN-UHFFFAOYSA-N 1 1 280.375 3.254 20 30 CGEDMO CCCCCCCC(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000731873228 572431116 /nfs/dbraw/zinc/43/11/16/572431116.db2.gz KVIUNTZXBCHKGN-OAHLLOKOSA-N 1 1 268.445 3.338 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000740876536 572465336 /nfs/dbraw/zinc/46/53/36/572465336.db2.gz YXDZYMMAOBWYBW-INIZCTEOSA-N 1 1 282.472 3.441 20 30 CGEDMO C[NH+]1CCN(N=C2CCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000741451423 572498688 /nfs/dbraw/zinc/49/86/88/572498688.db2.gz ONXYUUYFHDXCKA-OAHLLOKOSA-N 1 1 291.826 3.211 20 30 CGEDMO C=CC[N@@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000741777270 572525866 /nfs/dbraw/zinc/52/58/66/572525866.db2.gz LFMSRZPVGBHIPP-AWEZNQCLSA-N 1 1 282.428 3.140 20 30 CGEDMO C[C@H](Nc1nc(N2CCCC2)cc[nH+]1)c1ccc(C#N)cc1 ZINC000733187666 572539937 /nfs/dbraw/zinc/53/99/37/572539937.db2.gz UMXHGYMTNZETSK-ZDUSSCGKSA-N 1 1 293.374 3.122 20 30 CGEDMO C=CCCC[N@H+](C)CN1C(=O)[C@H](C)[C@@H]1c1ccccc1 ZINC000743363330 572653931 /nfs/dbraw/zinc/65/39/31/572653931.db2.gz FBUOMAHXVNIZQF-GDBMZVCRSA-N 1 1 272.392 3.062 20 30 CGEDMO C[C@@H]([NH2+]Cc1cccnc1Cl)c1cccc(C#N)c1 ZINC000743495684 572666505 /nfs/dbraw/zinc/66/65/05/572666505.db2.gz HSHZBSVFFSGNAU-LLVKDONJSA-N 1 1 271.751 3.457 20 30 CGEDMO C#CC[N@@H+](C[C@H]1COc2ccccc2O1)C1CCCCC1 ZINC000744739360 572770753 /nfs/dbraw/zinc/77/07/53/572770753.db2.gz XMMWRKBEHZMWNL-INIZCTEOSA-N 1 1 285.387 3.094 20 30 CGEDMO C#CC[N@H+](CC)[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000746457976 572872779 /nfs/dbraw/zinc/87/27/79/572872779.db2.gz XIGANNHELIDTKG-NSHDSACASA-N 1 1 253.292 3.304 20 30 CGEDMO C=CCCCCC[N@H+](C)CN1CC2(CCCC2)CC1=O ZINC000747458913 572928930 /nfs/dbraw/zinc/92/89/30/572928930.db2.gz DYAHDUPVPWNMGW-UHFFFAOYSA-N 1 1 278.440 3.415 20 30 CGEDMO CCCC[N@@H+](C)CCNc1nc2ccccc2cc1C#N ZINC000750028918 573076305 /nfs/dbraw/zinc/07/63/05/573076305.db2.gz ARVLKXDGCIHRAX-UHFFFAOYSA-N 1 1 282.391 3.250 20 30 CGEDMO C#CC1CC[NH+](Cc2ccsc2Br)CC1 ZINC000862399739 629363357 /nfs/dbraw/zinc/36/33/57/629363357.db2.gz BDDNOIVLBYJMEB-UHFFFAOYSA-N 1 1 284.222 3.356 20 30 CGEDMO C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC12CC2 ZINC000969049610 613251540 /nfs/dbraw/zinc/25/15/40/613251540.db2.gz LTQYMYXQDOAUGF-JKSUJKDBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)[C@H]2CCC[C@@H](F)C2)CC1 ZINC000981143077 613254514 /nfs/dbraw/zinc/25/45/14/613254514.db2.gz AAVSETGSXXEICS-JKSUJKDBSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)C2CCC2)CC1 ZINC000948139740 613256568 /nfs/dbraw/zinc/25/65/68/613256568.db2.gz KIXHLEHKABOJIC-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)c2ccccc2)C(C)(C)C1 ZINC000972770127 613277494 /nfs/dbraw/zinc/27/74/94/613277494.db2.gz VAZCSBGONDQCAN-INIZCTEOSA-N 1 1 286.419 3.093 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)CC2CCCCCC2)C1 ZINC000972433247 613283033 /nfs/dbraw/zinc/28/30/33/613283033.db2.gz MPIHKSYIFRGMEZ-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2coc3ccccc23)C1 ZINC000980546088 613287600 /nfs/dbraw/zinc/28/76/00/613287600.db2.gz RAVZQMJISQRUCU-CQSZACIVSA-N 1 1 298.386 3.155 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)c1ccc(C)o1 ZINC000968735915 613307220 /nfs/dbraw/zinc/30/72/20/613307220.db2.gz VPHJQUAGRKHFGY-HNNXBMFYSA-N 1 1 290.407 3.139 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)CC2CCCCCC2)CC1 ZINC000982038623 613308319 /nfs/dbraw/zinc/30/83/19/613308319.db2.gz NBRRJAXDCVFQAF-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2CC)CC1 ZINC000983386817 613309464 /nfs/dbraw/zinc/30/94/64/613309464.db2.gz AAUOJNDBHNREQT-DLBZAZTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC000967491875 613323241 /nfs/dbraw/zinc/32/32/41/613323241.db2.gz AVYFKZQPJOMTQP-ZBFHGGJFSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2(C)CCCC2)C[C@@H]1C ZINC000947583886 613326791 /nfs/dbraw/zinc/32/67/91/613326791.db2.gz ATBHRKGGBBYWKP-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C(C)=C2CCCC2)C[C@H]1C ZINC000947196597 613326961 /nfs/dbraw/zinc/32/69/61/613326961.db2.gz XKSMSJOSSDCJOV-RHSMWYFYSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C2CCC=CCC2)C1 ZINC000968659463 613331979 /nfs/dbraw/zinc/33/19/79/613331979.db2.gz GDBGMLDKBPBWOU-RDJZCZTQSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2sccc2C)C1 ZINC000964685443 613333494 /nfs/dbraw/zinc/33/34/94/613333494.db2.gz PECJYNNBBPURHN-JSGCOSHPSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2CC3(CCC3)C2)C[C@@H]1C ZINC000947624937 613334921 /nfs/dbraw/zinc/33/49/21/613334921.db2.gz ONFQPYOZJXGLJL-HOCLYGCPSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@@H](C)C2CCCC2)C(C)(C)C1 ZINC000977449365 613341518 /nfs/dbraw/zinc/34/15/18/613341518.db2.gz JGSCGORYCKQJGZ-HOCLYGCPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)CC2CC(C)(C)C2)C1 ZINC000972157740 613368249 /nfs/dbraw/zinc/36/82/49/613368249.db2.gz GSOAONYPEJLRLB-CQSZACIVSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)CC2CC(C)(C)C2)C1 ZINC000972157740 613368250 /nfs/dbraw/zinc/36/82/50/613368250.db2.gz GSOAONYPEJLRLB-CQSZACIVSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](N(C)C(=O)C2=CCCC2)CC1 ZINC000948295057 613374177 /nfs/dbraw/zinc/37/41/77/613374177.db2.gz LXVISKUUXXMTLP-OAHLLOKOSA-N 1 1 296.842 3.162 20 30 CGEDMO C=C1CC(C)(C(=O)N(C)[C@@H]2CCC[N@@H+](CCCF)CC2)C1 ZINC000948754081 613392941 /nfs/dbraw/zinc/39/29/41/613392941.db2.gz SJGBSJMGUNQENL-OAHLLOKOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](CCC(C)C)C[C@@H]2C)C1 ZINC000942608154 613397807 /nfs/dbraw/zinc/39/78/07/613397807.db2.gz PZZCVOFTLBDJDS-JKSUJKDBSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)[C@H](C)C2)CC1 ZINC000947690241 613409984 /nfs/dbraw/zinc/40/99/84/613409984.db2.gz SNFNEDIRIPTGFC-RHSMWYFYSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)c2ccoc2C(C)C)C1 ZINC000957442712 613480432 /nfs/dbraw/zinc/48/04/32/613480432.db2.gz ITFRVJIAIUUWHJ-UHFFFAOYSA-N 1 1 290.407 3.125 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2(C)CC2)C1 ZINC000963308436 613500496 /nfs/dbraw/zinc/50/04/96/613500496.db2.gz DUQLRAUJKYSFSY-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC2(C)C)CC1 ZINC000948696920 613500747 /nfs/dbraw/zinc/50/07/47/613500747.db2.gz BUMISANWQDKJQQ-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C2CCCCCC2)C1 ZINC000965475889 613528781 /nfs/dbraw/zinc/52/87/81/613528781.db2.gz KRKHUHUNYBJAEX-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C2CCCC2)C(C)(C)C1 ZINC000977452384 613544311 /nfs/dbraw/zinc/54/43/11/613544311.db2.gz SPXDBRVIZBROPY-GOEBONIOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)C(C)(C)C1 ZINC000977499619 613545381 /nfs/dbraw/zinc/54/53/81/613545381.db2.gz IRRSOLVZLOUFKM-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+]1C[C@H](NC(=O)C[C@@H]2C=CCCC2)C(C)(C)C1 ZINC000974742478 613554275 /nfs/dbraw/zinc/55/42/75/613554275.db2.gz PRZKGTUIUJDGOT-CVEARBPZSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)c2cccc(C(C)C)c2)C1 ZINC000972668614 613621829 /nfs/dbraw/zinc/62/18/29/613621829.db2.gz SZCOKABCIPQCTI-QGZVFWFLSA-N 1 1 286.419 3.142 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)CC2(C)CCCCC2)C1 ZINC000971916195 613626897 /nfs/dbraw/zinc/62/68/97/613626897.db2.gz DGUWRSMWFJMBIY-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)c2cccc(C(C)C)c2)C1 ZINC000972668613 613637944 /nfs/dbraw/zinc/63/79/44/613637944.db2.gz SZCOKABCIPQCTI-KRWDZBQOSA-N 1 1 286.419 3.142 20 30 CGEDMO C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@]12C[C@H]1CCCC2 ZINC000969020649 613683921 /nfs/dbraw/zinc/68/39/21/613683921.db2.gz SYKHVJVKSMLCCA-JFIYKMOQSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCCC12CC2 ZINC000968913449 613683978 /nfs/dbraw/zinc/68/39/78/613683978.db2.gz GMXGJAOIKXXJDV-HZPDHXFCSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC000969020651 613684108 /nfs/dbraw/zinc/68/41/08/613684108.db2.gz SYKHVJVKSMLCCA-JZXOWHBKSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)CC2CCCC2)CC1 ZINC000948162028 613700461 /nfs/dbraw/zinc/70/04/61/613700461.db2.gz IYHSGWUTJVOKAE-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)CC)C1 ZINC000963354007 613706541 /nfs/dbraw/zinc/70/65/41/613706541.db2.gz WSVXUJHKMWQJSK-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)C2CCCC2)C(C)(C)C1 ZINC000941157527 613746027 /nfs/dbraw/zinc/74/60/27/613746027.db2.gz DHAYLQYOCMUTTN-GOEBONIOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)ccc2C)C[C@@H]1C ZINC000947971102 613749774 /nfs/dbraw/zinc/74/97/74/613749774.db2.gz HWEAVANIFKCUCS-JKSUJKDBSA-N 1 1 286.419 3.072 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C)c2C)C[C@H]1C ZINC000947993595 613753428 /nfs/dbraw/zinc/75/34/28/613753428.db2.gz DQTJAPHFMZGELO-GDBMZVCRSA-N 1 1 286.419 3.072 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)c2cccc(C3CC3)c2)[C@H](C)C1 ZINC000945221657 613754384 /nfs/dbraw/zinc/75/43/84/613754384.db2.gz KKZKILAKIFMUMQ-RDTXWAMCSA-N 1 1 298.430 3.190 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2csc(Cl)c2)C1 ZINC000968385739 613775536 /nfs/dbraw/zinc/77/55/36/613775536.db2.gz ARUOBELKUUJNTH-CMPLNLGQSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941008283 613784379 /nfs/dbraw/zinc/78/43/79/613784379.db2.gz MBHFLKDXIULDTH-CABCVRRESA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)c2cc(Cl)cs2)[C@H](C)C1 ZINC000943290674 613788274 /nfs/dbraw/zinc/78/82/74/613788274.db2.gz YRLQOIVSPDTXKI-PWSUYJOCSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2ccsc2Cl)C(C)(C)C1 ZINC000977214458 613811692 /nfs/dbraw/zinc/81/16/92/613811692.db2.gz DMTMIXROWFWULM-LLVKDONJSA-N 1 1 298.839 3.028 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000899513433 620705564 /nfs/dbraw/zinc/70/55/64/620705564.db2.gz POFMMJWGRUBMCQ-UHFFFAOYSA-N 1 1 289.423 3.335 20 30 CGEDMO C=CC[C@H]1CCN1C(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000890549027 617633450 /nfs/dbraw/zinc/63/34/50/617633450.db2.gz FNDBZSWVAOMIGG-LSDHHAIUSA-N 1 1 292.810 3.120 20 30 CGEDMO C#CC[N@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)C(C)(C)C ZINC000932462396 617763561 /nfs/dbraw/zinc/76/35/61/617763561.db2.gz XYTYKXSCACUJKL-LJQANCHMSA-N 1 1 296.414 3.161 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC2CCC2)C1 ZINC001021550614 618035691 /nfs/dbraw/zinc/03/56/91/618035691.db2.gz IVXBMEJLBTWBHH-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC2(C)CC2)C1 ZINC001021634127 618077316 /nfs/dbraw/zinc/07/73/16/618077316.db2.gz WZPGDHQSFCYODD-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C[N@@H+](CCCOc1ccc(C#N)cc1)C(C1CC1)C1CC1 ZINC000050988758 618187414 /nfs/dbraw/zinc/18/74/14/618187414.db2.gz LPWBKKNUIMRPPZ-UHFFFAOYSA-N 1 1 284.403 3.448 20 30 CGEDMO C#CC[N@@H+](C[C@@H]1CCOC1)[C@@H]1CCCc2ccccc21 ZINC000933418204 618229157 /nfs/dbraw/zinc/22/91/57/618229157.db2.gz JVDDQMYNVKAHGC-MAUKXSAKSA-N 1 1 269.388 3.036 20 30 CGEDMO Cc1cc(C[N@H+](C)Cc2ccc(C#N)cc2)cnc1F ZINC000891604131 618241421 /nfs/dbraw/zinc/24/14/21/618241421.db2.gz BETJSMJNBNYXDT-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO Cc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)cnc1F ZINC000891604131 618241422 /nfs/dbraw/zinc/24/14/22/618241422.db2.gz BETJSMJNBNYXDT-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO C[N@@H+](CCc1ccccc1F)Cc1csc(C#N)c1 ZINC000891784195 618294996 /nfs/dbraw/zinc/29/49/96/618294996.db2.gz UWQIRNNGKJAPSV-UHFFFAOYSA-N 1 1 274.364 3.433 20 30 CGEDMO Cc1ccc(C[N@H+](C)Cc2cc(C#N)cs2)c(C)n1 ZINC000933773140 618324603 /nfs/dbraw/zinc/32/46/03/618324603.db2.gz DGGYNZKOFVHLKC-UHFFFAOYSA-N 1 1 271.389 3.264 20 30 CGEDMO Cc1ccc(C[N@@H+](C)Cc2cc(C#N)cs2)c(C)n1 ZINC000933773140 618324614 /nfs/dbraw/zinc/32/46/14/618324614.db2.gz DGGYNZKOFVHLKC-UHFFFAOYSA-N 1 1 271.389 3.264 20 30 CGEDMO C[C@@H](C#N)C[N@H+](Cc1ccc2c(c1)CCCO2)C1CC1 ZINC000892195362 618584965 /nfs/dbraw/zinc/58/49/65/618584965.db2.gz PGFXNHUHSJGJDB-ZDUSSCGKSA-N 1 1 270.376 3.136 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](Cc1ccc2c(c1)CCCO2)C1CC1 ZINC000892195362 618584967 /nfs/dbraw/zinc/58/49/67/618584967.db2.gz PGFXNHUHSJGJDB-ZDUSSCGKSA-N 1 1 270.376 3.136 20 30 CGEDMO C[C@@H](C#N)C[N@H+](Cc1ccc2c(c1)C[C@H](C)O2)C1CC1 ZINC000892194089 618586814 /nfs/dbraw/zinc/58/68/14/618586814.db2.gz JNKBUGHCIWNOJO-STQMWFEESA-N 1 1 270.376 3.134 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](Cc1ccc2c(c1)C[C@H](C)O2)C1CC1 ZINC000892194089 618586818 /nfs/dbraw/zinc/58/68/18/618586818.db2.gz JNKBUGHCIWNOJO-STQMWFEESA-N 1 1 270.376 3.134 20 30 CGEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2csc(C#N)c2)C12CCC2 ZINC000892230025 618608919 /nfs/dbraw/zinc/60/89/19/618608919.db2.gz VLUXRHFZQJBWLL-GJZGRUSLSA-N 1 1 290.432 3.399 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000934467363 618626180 /nfs/dbraw/zinc/62/61/80/618626180.db2.gz XWZDSBSCSPTVDU-NSHDSACASA-N 1 1 291.301 3.165 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000934467363 618626183 /nfs/dbraw/zinc/62/61/83/618626183.db2.gz XWZDSBSCSPTVDU-NSHDSACASA-N 1 1 291.301 3.165 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1ccc(C)cc1C ZINC000934469608 618626664 /nfs/dbraw/zinc/62/66/64/618626664.db2.gz FTMNIPROADFXBH-LSDHHAIUSA-N 1 1 272.392 3.281 20 30 CGEDMO COc1ccc(O)c(C=Nc2ccc3c(c2)C[N@@H+](C)C3)c1 ZINC000255520205 618654032 /nfs/dbraw/zinc/65/40/32/618654032.db2.gz VGUVCSIFWFJIFW-UHFFFAOYSA-N 1 1 282.343 3.097 20 30 CGEDMO COc1ccc(O)c(C=Nc2ccc3c(c2)C[N@H+](C)C3)c1 ZINC000255520205 618654033 /nfs/dbraw/zinc/65/40/33/618654033.db2.gz VGUVCSIFWFJIFW-UHFFFAOYSA-N 1 1 282.343 3.097 20 30 CGEDMO CCCCCCCC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000161980334 618732878 /nfs/dbraw/zinc/73/28/78/618732878.db2.gz LVMIUVXVQILRBW-MRXNPFEDSA-N 1 1 282.472 3.441 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000177009622 618771889 /nfs/dbraw/zinc/77/18/89/618771889.db2.gz HEYQKUFGIIFEDZ-CABCVRRESA-N 1 1 289.485 3.244 20 30 CGEDMO C(#Cc1ccccc1)CNC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000892431621 618777418 /nfs/dbraw/zinc/77/74/18/618777418.db2.gz UBUMIFFLBJBFDH-GOSISDBHSA-N 1 1 294.398 3.058 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+]Cc1ncc(-c2cccs2)o1 ZINC000852099026 618946215 /nfs/dbraw/zinc/94/62/15/618946215.db2.gz BLALHXXFYDLCPE-AWEZNQCLSA-N 1 1 260.362 3.295 20 30 CGEDMO Cc1cc(C#N)nc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c1 ZINC000893009029 618976302 /nfs/dbraw/zinc/97/63/02/618976302.db2.gz OTJQYOQUNRDOMU-SJLPKXTDSA-N 1 1 292.386 3.119 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(OC)c2ccccc12 ZINC000775184003 619006417 /nfs/dbraw/zinc/00/64/17/619006417.db2.gz ROFZHYYBJQEONK-CYBMUJFWSA-N 1 1 253.345 3.302 20 30 CGEDMO C#CC[C@@H]([NH2+]Cc1ccc(OC)o1)c1ccccc1 ZINC000893240525 619039696 /nfs/dbraw/zinc/03/96/96/619039696.db2.gz YENTXYVZDMVMAR-OAHLLOKOSA-N 1 1 255.317 3.142 20 30 CGEDMO C#C[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1F)[C@@H]1CCCO1 ZINC000775806498 619103322 /nfs/dbraw/zinc/10/33/22/619103322.db2.gz LYYDIDDHDKAVPB-BPNCWPANSA-N 1 1 281.758 3.311 20 30 CGEDMO C[C@H](c1ccncc1)[N@H+](C)Cc1csc(C#N)c1 ZINC000893538924 619209157 /nfs/dbraw/zinc/20/91/57/619209157.db2.gz BYBYVSLXCLSBRS-LLVKDONJSA-N 1 1 257.362 3.208 20 30 CGEDMO C[C@H](c1ccncc1)[N@@H+](C)Cc1csc(C#N)c1 ZINC000893538924 619209158 /nfs/dbraw/zinc/20/91/58/619209158.db2.gz BYBYVSLXCLSBRS-LLVKDONJSA-N 1 1 257.362 3.208 20 30 CGEDMO N#Cc1cncc(C[N@@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)c1 ZINC000931748089 619247446 /nfs/dbraw/zinc/24/74/46/619247446.db2.gz ZTXZUVYWDCYKAJ-KBPBESRZSA-N 1 1 295.308 3.118 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)o1 ZINC000931910669 619269782 /nfs/dbraw/zinc/26/97/82/619269782.db2.gz RGVRYFPHUMWIPX-NSHDSACASA-N 1 1 288.244 3.018 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)o1 ZINC000931910669 619269784 /nfs/dbraw/zinc/26/97/84/619269784.db2.gz RGVRYFPHUMWIPX-NSHDSACASA-N 1 1 288.244 3.018 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1ccc(Br)cc1F ZINC000124494001 619298241 /nfs/dbraw/zinc/29/82/41/619298241.db2.gz NNWLPZAPHVKMFL-UHFFFAOYSA-N 1 1 278.552 3.430 20 30 CGEDMO CCn1ccc(C[N@H+](C)Cc2csc(C#N)c2)c1 ZINC000893981730 619344114 /nfs/dbraw/zinc/34/41/14/619344114.db2.gz PQABIOPUZAKLEI-UHFFFAOYSA-N 1 1 259.378 3.073 20 30 CGEDMO CCn1ccc(C[N@@H+](C)Cc2csc(C#N)c2)c1 ZINC000893981730 619344118 /nfs/dbraw/zinc/34/41/18/619344118.db2.gz PQABIOPUZAKLEI-UHFFFAOYSA-N 1 1 259.378 3.073 20 30 CGEDMO C[C@@H]1CCC[N@@H+](C(C)(C)CNCc2cccc(C#N)c2)C1 ZINC000067222434 619395377 /nfs/dbraw/zinc/39/53/77/619395377.db2.gz VEJNQCIEENPQGH-OAHLLOKOSA-N 1 1 285.435 3.158 20 30 CGEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNCc2cccc(C#N)c2)C1 ZINC000067222434 619395382 /nfs/dbraw/zinc/39/53/82/619395382.db2.gz VEJNQCIEENPQGH-OAHLLOKOSA-N 1 1 285.435 3.158 20 30 CGEDMO C=C(C)C[NH+]1CCC(NCc2cccc3c2NCCC3)CC1 ZINC000894229034 619432102 /nfs/dbraw/zinc/43/21/02/619432102.db2.gz LQGDMKBALQRYIF-UHFFFAOYSA-N 1 1 299.462 3.175 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000894534047 619566223 /nfs/dbraw/zinc/56/62/23/619566223.db2.gz WXKGXOHAEBKMDL-LLVKDONJSA-N 1 1 292.370 3.043 20 30 CGEDMO N#Cc1ccc(Br)c(C[NH+]2CC(C3CC3)C2)c1 ZINC000894566659 619578154 /nfs/dbraw/zinc/57/81/54/619578154.db2.gz RYAGCXLVXIMVLS-UHFFFAOYSA-N 1 1 291.192 3.163 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@]3(CCSC3)C2)cs1 ZINC000894773695 619627456 /nfs/dbraw/zinc/62/74/56/619627456.db2.gz WIDKMRHJIYYEMK-AWEZNQCLSA-N 1 1 278.446 3.339 20 30 CGEDMO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1csc(C#N)c1 ZINC000894813045 619641175 /nfs/dbraw/zinc/64/11/75/619641175.db2.gz MFVPOQIESUEKMD-UHFFFAOYSA-N 1 1 288.420 3.011 20 30 CGEDMO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1csc(C#N)c1 ZINC000894813045 619641177 /nfs/dbraw/zinc/64/11/77/619641177.db2.gz MFVPOQIESUEKMD-UHFFFAOYSA-N 1 1 288.420 3.011 20 30 CGEDMO CC(C)Cc1ccc(C[NH2+]CC2(C#N)CCC2)cn1 ZINC000894967839 619689067 /nfs/dbraw/zinc/68/90/67/619689067.db2.gz XEWIBEPMNQVGSW-UHFFFAOYSA-N 1 1 257.381 3.064 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cn2ccnc2s1 ZINC000895017251 619696332 /nfs/dbraw/zinc/69/63/32/619696332.db2.gz APYCGEQYYBIPJR-GFCCVEGCSA-N 1 1 296.399 3.460 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000193546569 619727376 /nfs/dbraw/zinc/72/73/76/619727376.db2.gz KDHAIUQQJKNJBN-HNNXBMFYSA-N 1 1 267.413 3.208 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2nc(C(C)(C)C)co2)C1 ZINC000895101104 619729785 /nfs/dbraw/zinc/72/97/85/619729785.db2.gz HPTPPQJASRASTA-CYBMUJFWSA-N 1 1 260.381 3.207 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2nc(C(C)(C)C)co2)C1 ZINC000895101104 619729787 /nfs/dbraw/zinc/72/97/87/619729787.db2.gz HPTPPQJASRASTA-CYBMUJFWSA-N 1 1 260.381 3.207 20 30 CGEDMO C[C@]1(Br)C[C@@H]1C[N@@H+]1Cc2ccc(C#N)cc2C1 ZINC000895215455 619783330 /nfs/dbraw/zinc/78/33/30/619783330.db2.gz OSZAIUUVNSOOHO-KGLIPLIRSA-N 1 1 291.192 3.047 20 30 CGEDMO C[C@]1(Br)C[C@@H]1C[N@H+]1Cc2ccc(C#N)cc2C1 ZINC000895215455 619783335 /nfs/dbraw/zinc/78/33/35/619783335.db2.gz OSZAIUUVNSOOHO-KGLIPLIRSA-N 1 1 291.192 3.047 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](C/C=C\c2cccc(F)c2)C1 ZINC000895229175 619785888 /nfs/dbraw/zinc/78/58/88/619785888.db2.gz SLCOIVUIEYNSOZ-ZSQCLPQSSA-N 1 1 258.340 3.465 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@H](CC#N)C2)c(C2CCCC2)n1 ZINC000895311266 619803532 /nfs/dbraw/zinc/80/35/32/619803532.db2.gz XBCUZAHVTKZLTH-CQSZACIVSA-N 1 1 286.423 3.203 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cn(C)nc2C2CC2)C1 ZINC000895339010 619807311 /nfs/dbraw/zinc/80/73/11/619807311.db2.gz XMLUYZBTFZDKFD-CYBMUJFWSA-N 1 1 259.397 3.086 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+](C)Cc2ccns2)cc1 ZINC000895453556 619830715 /nfs/dbraw/zinc/83/07/15/619830715.db2.gz MTUBLVQIQYGIQL-GFCCVEGCSA-N 1 1 287.388 3.066 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)Cc2ccns2)cc1 ZINC000895453556 619830717 /nfs/dbraw/zinc/83/07/17/619830717.db2.gz MTUBLVQIQYGIQL-GFCCVEGCSA-N 1 1 287.388 3.066 20 30 CGEDMO O[C@H]1CC[N@@H+](CC#Cc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000895705288 619873270 /nfs/dbraw/zinc/87/32/70/619873270.db2.gz XYFGZMWZIPAEQG-VQTJNVASSA-N 1 1 291.394 3.236 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000895717521 619874624 /nfs/dbraw/zinc/87/46/24/619874624.db2.gz SCSYGJMFHRDHJM-RDJZCZTQSA-N 1 1 278.440 3.455 20 30 CGEDMO Cc1oc2ccccc2c1C[N@@H+]1CCC[C@@H](C#N)C1 ZINC000896502404 620018235 /nfs/dbraw/zinc/01/82/35/620018235.db2.gz FBFXULJDTYSPRF-ZDUSSCGKSA-N 1 1 254.333 3.477 20 30 CGEDMO Cc1oc2ccccc2c1C[N@H+]1CCC[C@@H](C#N)C1 ZINC000896502404 620018238 /nfs/dbraw/zinc/01/82/38/620018238.db2.gz FBFXULJDTYSPRF-ZDUSSCGKSA-N 1 1 254.333 3.477 20 30 CGEDMO C[C@H](CCc1cccc(F)c1)[N@H+]1CCC[C@H](C#N)C1 ZINC000896503734 620018488 /nfs/dbraw/zinc/01/84/88/620018488.db2.gz MIAGDVZZCHXDST-UKRRQHHQSA-N 1 1 260.356 3.382 20 30 CGEDMO N#Cc1cnc(Cl)c(C[NH2+][C@H](c2ccccn2)C2CC2)c1 ZINC000896610290 620035075 /nfs/dbraw/zinc/03/50/75/620035075.db2.gz UQQYKMGKNSFUQE-HNNXBMFYSA-N 1 1 298.777 3.243 20 30 CGEDMO C=C1CCC(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000896693688 620048129 /nfs/dbraw/zinc/04/81/29/620048129.db2.gz OMFQDEFOFHGKFM-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO N#CC1(c2ccc(C[N@@H+]3CCn4cccc4C3)cc2)CC1 ZINC000896760605 620057080 /nfs/dbraw/zinc/05/70/80/620057080.db2.gz CUOHYQILUZUYCN-UHFFFAOYSA-N 1 1 277.371 3.059 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3CCn4cccc4C3)cc2)CC1 ZINC000896760605 620057084 /nfs/dbraw/zinc/05/70/84/620057084.db2.gz CUOHYQILUZUYCN-UHFFFAOYSA-N 1 1 277.371 3.059 20 30 CGEDMO Cc1csc(C[C@H]2CC[N@H+](C[C@@H](C)CCC#N)C2)n1 ZINC000897299253 620186202 /nfs/dbraw/zinc/18/62/02/620186202.db2.gz XVNCTZTVAYYMCE-GXTWGEPZSA-N 1 1 277.437 3.256 20 30 CGEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)C(C)=C2CCC2)CC1 ZINC000985426648 620187472 /nfs/dbraw/zinc/18/74/72/620187472.db2.gz UQBDUDQRHRJYQQ-UHFFFAOYSA-N 1 1 296.842 3.162 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)[C@@]2(C)CC=C(C)CC2)CC1 ZINC000985799723 620240055 /nfs/dbraw/zinc/24/00/55/620240055.db2.gz NGSRLWURYUIUMB-SFHVURJKSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2cscc2C)C1 ZINC001007056526 620397863 /nfs/dbraw/zinc/39/78/63/620397863.db2.gz JWAXEFLYWIZGEM-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C[C@]12C[N@@H+](Cc3cc(C#N)cnc3Cl)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000897611591 620408667 /nfs/dbraw/zinc/40/86/67/620408667.db2.gz IVRZUJKFCQNIDX-PWXKEOIMSA-N 1 1 299.805 3.251 20 30 CGEDMO COc1cc(F)cc(C[N@H+](C)Cc2cc(C#N)cs2)c1 ZINC000897624313 620411032 /nfs/dbraw/zinc/41/10/32/620411032.db2.gz HWDNGGZTQQMMLX-UHFFFAOYSA-N 1 1 290.363 3.399 20 30 CGEDMO COc1cc(F)cc(C[N@@H+](C)Cc2cc(C#N)cs2)c1 ZINC000897624313 620411034 /nfs/dbraw/zinc/41/10/34/620411034.db2.gz HWDNGGZTQQMMLX-UHFFFAOYSA-N 1 1 290.363 3.399 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1cc(OC)c(OC)cc1O ZINC000898245337 620496432 /nfs/dbraw/zinc/49/64/32/620496432.db2.gz ABOZLFIPHVSCAD-UHFFFAOYSA-N 1 1 279.380 3.198 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1cc(OC)c(O)c(OC)c1 ZINC000898245036 620496860 /nfs/dbraw/zinc/49/68/60/620496860.db2.gz UYVLTLQTPUMDTM-UHFFFAOYSA-N 1 1 279.380 3.198 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)c3ccccc3C)CCC[C@@H]12 ZINC000989922985 620531442 /nfs/dbraw/zinc/53/14/42/620531442.db2.gz SZMAKHXFAIDWNY-MJGOQNOKSA-N 1 1 298.430 3.298 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)CC3CCC3)CCC[C@@H]12 ZINC000990083895 620535476 /nfs/dbraw/zinc/53/54/76/620535476.db2.gz QXLVZGKSKWEEJO-ZBFHGGJFSA-N 1 1 296.842 3.042 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)CC3CCC3)CCC[C@@H]12 ZINC000990083895 620535477 /nfs/dbraw/zinc/53/54/77/620535477.db2.gz QXLVZGKSKWEEJO-ZBFHGGJFSA-N 1 1 296.842 3.042 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)O[C@H](C)c1ccc(C#N)cc1 ZINC000923887513 620550079 /nfs/dbraw/zinc/55/00/79/620550079.db2.gz GBPOXKJFCMYTFD-CZUORRHYSA-N 1 1 286.375 3.035 20 30 CGEDMO Cc1ccc(C[NH2+][C@H](C)c2cc3n(n2)CCCC3)cc1C#N ZINC000926961033 620555336 /nfs/dbraw/zinc/55/53/36/620555336.db2.gz HWIWNRJKOPSSLR-CQSZACIVSA-N 1 1 294.402 3.250 20 30 CGEDMO COc1ccccc1C1([NH2+][C@H](C)c2cc(C#N)ccn2)CC1 ZINC000903036849 621538660 /nfs/dbraw/zinc/53/86/60/621538660.db2.gz BKWFLTVVMLAZLA-CYBMUJFWSA-N 1 1 293.370 3.302 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCCC[C@H]1c1ccccc1 ZINC000801941786 621550629 /nfs/dbraw/zinc/55/06/29/621550629.db2.gz WVZXTPCXWPCFKT-ZBFHGGJFSA-N 1 1 258.365 3.142 20 30 CGEDMO COc1cc(C)c([C@H](C)[NH2+]CC(C)(C)C#N)cc1OC ZINC000903100319 621572582 /nfs/dbraw/zinc/57/25/82/621572582.db2.gz NLFNJRQSPANVES-LBPRGKRZSA-N 1 1 276.380 3.213 20 30 CGEDMO N#CC1(C[NH2+][C@H]2CCc3sc(Br)cc32)CC1 ZINC000903105635 621578117 /nfs/dbraw/zinc/57/81/17/621578117.db2.gz GKLVGUNBNWCJFM-VIFPVBQESA-N 1 1 297.221 3.391 20 30 CGEDMO CC(C)(C#N)C[NH2+][C@H](c1ccccc1F)C1CCOCC1 ZINC000903221949 621634324 /nfs/dbraw/zinc/63/43/24/621634324.db2.gz UWCVKDSYXQJSHM-INIZCTEOSA-N 1 1 290.382 3.433 20 30 CGEDMO C[C@@H]([NH2+][C@H](c1ncccn1)C1CC1)c1cccc(C#N)c1 ZINC000903327200 621700915 /nfs/dbraw/zinc/70/09/15/621700915.db2.gz QXDMATWCXSNKBT-WBMJQRKESA-N 1 1 278.359 3.150 20 30 CGEDMO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](CCN(C)C)c1cccnc1 ZINC000903382755 621724180 /nfs/dbraw/zinc/72/41/80/621724180.db2.gz HRWSWBGGYMREET-UXLLHSPISA-N 1 1 275.440 3.265 20 30 CGEDMO N#CC1(CCCC[N@@H+](CCN)Cc2ccccc2)CCC1 ZINC000903743356 621801805 /nfs/dbraw/zinc/80/18/05/621801805.db2.gz JBAUEBFHBXGCDG-UHFFFAOYSA-N 1 1 285.435 3.311 20 30 CGEDMO N#CC1(CCCC[N@H+](CCN)Cc2ccccc2)CCC1 ZINC000903743356 621801806 /nfs/dbraw/zinc/80/18/06/621801806.db2.gz JBAUEBFHBXGCDG-UHFFFAOYSA-N 1 1 285.435 3.311 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccc(C)c(OC)c2)no1 ZINC000904557611 621930077 /nfs/dbraw/zinc/93/00/77/621930077.db2.gz IIYVPWHCFPSZLK-CYBMUJFWSA-N 1 1 287.363 3.410 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(Cc2csc(CC)n2)no1 ZINC000904582989 621935987 /nfs/dbraw/zinc/93/59/87/621935987.db2.gz AYFSYBHEPSCIMG-LLVKDONJSA-N 1 1 292.408 3.035 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H](C)C3CCC3)CCC[C@H]12 ZINC000991327649 622533375 /nfs/dbraw/zinc/53/33/75/622533375.db2.gz FINKWQVFDVULDQ-QILLFSRXSA-N 1 1 290.451 3.112 20 30 CGEDMO FC(F)(F)CN[NH+]=Cc1ccc(N2CCCCC2)cc1 ZINC000769822607 625576351 /nfs/dbraw/zinc/57/63/51/625576351.db2.gz VOTAZAJLJBQAMS-UHFFFAOYSA-N 1 1 285.313 3.163 20 30 CGEDMO CCCCCCCC[N@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC000157657810 622919555 /nfs/dbraw/zinc/91/95/55/622919555.db2.gz YWYGMMYJGQAIME-INIZCTEOSA-N 1 1 268.445 3.195 20 30 CGEDMO C#CCCOc1ccc(C[N@H+](C)[C@H](C)C2CC2)cc1 ZINC000158076319 623004813 /nfs/dbraw/zinc/00/48/13/623004813.db2.gz HTXPKQBTGJUDSY-CQSZACIVSA-N 1 1 257.377 3.319 20 30 CGEDMO N#Cc1cncc(C[NH+]2CCC(OC3CCCCC3)CC2)c1 ZINC000929423335 623414143 /nfs/dbraw/zinc/41/41/43/623414143.db2.gz AHYLPMSEDNVZFV-UHFFFAOYSA-N 1 1 299.418 3.267 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC[C@H](C)CC3)CCC[C@@H]12 ZINC000992423982 623554661 /nfs/dbraw/zinc/55/46/61/623554661.db2.gz ONBDKFYOSBPFIH-YFHUEUNASA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(C)c(C)c3)CCC[C@H]12 ZINC000992474297 623583963 /nfs/dbraw/zinc/58/39/63/623583963.db2.gz ZYUKZNOHYMVYKL-HKUYNNGSSA-N 1 1 298.430 3.216 20 30 CGEDMO Cc1[nH+]c(C=NNc2ccccc2)c2ccccn12 ZINC000914600988 623835625 /nfs/dbraw/zinc/83/56/25/623835625.db2.gz DHFMXBDYTMSOKV-UHFFFAOYSA-N 1 1 250.305 3.089 20 30 CGEDMO COc1cccc(NN=Cc2[nH+]c(C)n3ccccc23)c1 ZINC000914600976 623835877 /nfs/dbraw/zinc/83/58/77/623835877.db2.gz ZPNNVYJYZNGHKD-UHFFFAOYSA-N 1 1 280.331 3.097 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CC2=CCCCC2)[C@@H]1C ZINC000993151429 623877121 /nfs/dbraw/zinc/87/71/21/623877121.db2.gz GEECRSXWLSVXPC-DOTOQJQBSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C(C)=C2CCCC2)[C@H]1C ZINC000993196469 623941303 /nfs/dbraw/zinc/94/13/03/623941303.db2.gz INLQXODTBHEABC-WBVHZDCISA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccoc2Cl)[C@@H]1C ZINC000993251895 623994454 /nfs/dbraw/zinc/99/44/54/623994454.db2.gz ACIQEMHPPXOTEO-AAEUAGOBSA-N 1 1 296.798 3.092 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccsc2C)[C@H]1C ZINC000993327669 624025950 /nfs/dbraw/zinc/02/59/50/624025950.db2.gz NJWPZZWGXBDIBC-DOMZBBRYSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](NC(=O)c2sccc2Cl)[C@@H]1C ZINC000993354945 624035548 /nfs/dbraw/zinc/03/55/48/624035548.db2.gz GEQVFIWVUMYXCL-JQWIXIFHSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2sccc2Cl)[C@@H]1C ZINC000993354945 624035549 /nfs/dbraw/zinc/03/55/49/624035549.db2.gz GEQVFIWVUMYXCL-JQWIXIFHSA-N 1 1 298.839 3.170 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C2(C3CC3)CC2)[C@@H]1C ZINC000993471434 624051897 /nfs/dbraw/zinc/05/18/97/624051897.db2.gz CYXKLRBCUGETSO-GOEBONIOSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCCF)[C@@H]2C)CC1 ZINC000993737822 624060734 /nfs/dbraw/zinc/06/07/34/624060734.db2.gz BRKXGIDLSGMXLT-GDBMZVCRSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2ccsc2)C1 ZINC001015691147 624066894 /nfs/dbraw/zinc/06/68/94/624066894.db2.gz YVDAFNPDWQZQEV-ZFWWWQNUSA-N 1 1 292.448 3.008 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C2(F)CCCCC2)[C@H]1C ZINC000994155603 624070489 /nfs/dbraw/zinc/07/04/89/624070489.db2.gz DZDFWFUUSFMCCD-CABCVRRESA-N 1 1 296.430 3.204 20 30 CGEDMO CN(C)c1ccc(C=[NH+]NCc2cc(F)ccc2F)cc1 ZINC000915979455 624089080 /nfs/dbraw/zinc/08/90/80/624089080.db2.gz UDADZYFHDJMGNU-UHFFFAOYSA-N 1 1 289.329 3.155 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C2CCC(C)(C)CC2)[C@H]1C ZINC000994498439 624242916 /nfs/dbraw/zinc/24/29/16/624242916.db2.gz TXXVVAJZBHWNPB-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@H+](Cc1nccn1Cc1ccccc1)C(C)C ZINC000917168179 624248536 /nfs/dbraw/zinc/24/85/36/624248536.db2.gz ROPRKFCEGZSEQV-UHFFFAOYSA-N 1 1 269.392 3.328 20 30 CGEDMO C=CC[N@@H+](Cc1nccn1Cc1ccccc1)C(C)C ZINC000917168179 624248538 /nfs/dbraw/zinc/24/85/38/624248538.db2.gz ROPRKFCEGZSEQV-UHFFFAOYSA-N 1 1 269.392 3.328 20 30 CGEDMO C=CC[N@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(C)C ZINC000917166994 624248981 /nfs/dbraw/zinc/24/89/81/624248981.db2.gz MYMZUIYGFMIFML-UHFFFAOYSA-N 1 1 291.782 3.385 20 30 CGEDMO C=CC[N@@H+](Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(C)C ZINC000917166994 624248984 /nfs/dbraw/zinc/24/89/84/624248984.db2.gz MYMZUIYGFMIFML-UHFFFAOYSA-N 1 1 291.782 3.385 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)CC1(O)CCCCC1 ZINC000920092029 624445751 /nfs/dbraw/zinc/44/57/51/624445751.db2.gz DSCPMULUPCNXFT-UHFFFAOYSA-N 1 1 289.419 3.378 20 30 CGEDMO CN(c1ccccc1)c1ccc(C[NH2+]CCC#N)cc1 ZINC000920956653 624557202 /nfs/dbraw/zinc/55/72/02/624557202.db2.gz JXELUXMEZAEVSK-UHFFFAOYSA-N 1 1 265.360 3.458 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cccc(SC(=O)N(C)C)c1 ZINC000181255186 624834529 /nfs/dbraw/zinc/83/45/29/624834529.db2.gz QLFHPYQULWMOQC-UHFFFAOYSA-N 1 1 278.421 3.468 20 30 CGEDMO C=CCCC(=O)O[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000183173828 625051610 /nfs/dbraw/zinc/05/16/10/625051610.db2.gz GZZORRYOJGRZKY-MRXNPFEDSA-N 1 1 273.376 3.160 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC23CCC3)CC1 ZINC000998144566 625793221 /nfs/dbraw/zinc/79/32/21/625793221.db2.gz SLVSVQBULIGIPK-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1csc(C#N)c1 ZINC000921741439 625859306 /nfs/dbraw/zinc/85/93/06/625859306.db2.gz HTUYBMGWCYARDO-MRVPVSSYSA-N 1 1 261.350 3.075 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2CC[C@H](CC)CC2)CC1 ZINC001001390897 625896001 /nfs/dbraw/zinc/89/60/01/625896001.db2.gz WNECYMDYSAOMQD-JCNLHEQBSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)C2CCC(C)(C)CC2)CC1 ZINC001001485870 625897732 /nfs/dbraw/zinc/89/77/32/625897732.db2.gz FBZOGGRLRYAVIY-UHFFFAOYSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(CC)C[N@@H+](C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000773455002 625899481 /nfs/dbraw/zinc/89/94/81/625899481.db2.gz VDRCKOUNLBSOFZ-HNNXBMFYSA-N 1 1 294.439 3.426 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1ncccn1 ZINC000929270038 625976269 /nfs/dbraw/zinc/97/62/69/625976269.db2.gz NLGUSNZJZGFZQQ-AWEZNQCLSA-N 1 1 280.375 3.321 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)c1ncccn1 ZINC000929270038 625976271 /nfs/dbraw/zinc/97/62/71/625976271.db2.gz NLGUSNZJZGFZQQ-AWEZNQCLSA-N 1 1 280.375 3.321 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2cscc2Cl)C1 ZINC001014843870 626133882 /nfs/dbraw/zinc/13/38/82/626133882.db2.gz BVOSTFAIRVYZML-LLVKDONJSA-N 1 1 298.839 3.172 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](C)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000839175753 626325892 /nfs/dbraw/zinc/32/58/92/626325892.db2.gz YMWLFAILBGOKBC-HYVNUMGLSA-N 1 1 272.392 3.183 20 30 CGEDMO C[C@@H]1CCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000752076136 626417804 /nfs/dbraw/zinc/41/78/04/626417804.db2.gz ONCRTHBXTRKHHX-LLVKDONJSA-N 1 1 264.756 3.227 20 30 CGEDMO CCCCCC(C)=[NH+]n1cc(Br)cn1 ZINC000752745953 626437267 /nfs/dbraw/zinc/43/72/67/626437267.db2.gz FGTRUBWEKLUUMR-UHFFFAOYSA-N 1 1 258.163 3.450 20 30 CGEDMO C[C@H]1CC(N=Nc2ccc3ccccc3n2)C[N@H+]1C1CC1 ZINC000753955667 626470131 /nfs/dbraw/zinc/47/01/31/626470131.db2.gz SAJHHCWMUZZKME-LBPRGKRZSA-N 1 1 280.375 3.259 20 30 CGEDMO C[C@H](C#N)C[N@@H+](Cc1c(O)ccc2ccncc21)C1CC1 ZINC000753975909 626470647 /nfs/dbraw/zinc/47/06/47/626470647.db2.gz BCADXIAMFHOCNQ-GFCCVEGCSA-N 1 1 281.359 3.064 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](Cc1c(O)ccc2ccncc21)C1CC1 ZINC000753975918 626470659 /nfs/dbraw/zinc/47/06/59/626470659.db2.gz BCADXIAMFHOCNQ-LBPRGKRZSA-N 1 1 281.359 3.064 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@H+]2C[C@H](C)[C@H](C)C2)c1O ZINC000754736278 626585486 /nfs/dbraw/zinc/58/54/86/626585486.db2.gz IWMUJCGIHAOUEI-BETUJISGSA-N 1 1 275.392 3.217 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1O ZINC000754742117 626585936 /nfs/dbraw/zinc/58/59/36/626585936.db2.gz PUCBAVGASFFLCL-IYBDPMFKSA-N 1 1 287.403 3.217 20 30 CGEDMO CCCCCCCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000754864926 626591064 /nfs/dbraw/zinc/59/10/64/626591064.db2.gz IDCSMNHQKONOFG-HUUCEWRRSA-N 1 1 283.460 3.129 20 30 CGEDMO CC(C)c1[nH+]c(/C=C\C(=O)c2cnn(C)c2)c2ccccn21 ZINC000755626531 626632140 /nfs/dbraw/zinc/63/21/40/626632140.db2.gz NHZMSOTXJQDSRK-FPLPWBNLSA-N 1 1 294.358 3.087 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1csc2ccccc12 ZINC000756551952 626714605 /nfs/dbraw/zinc/71/46/05/626714605.db2.gz HRLOVKRQGQXABK-ZDUSSCGKSA-N 1 1 299.395 3.156 20 30 CGEDMO C=C(Cl)C[NH2+][C@H](c1ccccc1)C(C)(C)C(=O)OC ZINC000839543606 626760869 /nfs/dbraw/zinc/76/08/69/626760869.db2.gz LHRGLJFPFMCLMV-CYBMUJFWSA-N 1 1 281.783 3.269 20 30 CGEDMO C=CCCCC[N@@H+](C)Cc1c(C)nn(C)c1Cl ZINC000839586544 626766376 /nfs/dbraw/zinc/76/63/76/626766376.db2.gz VIFKCTPXTRVZMG-UHFFFAOYSA-N 1 1 255.793 3.170 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1c(C)nn(C)c1Cl ZINC000839586544 626766380 /nfs/dbraw/zinc/76/63/80/626766380.db2.gz VIFKCTPXTRVZMG-UHFFFAOYSA-N 1 1 255.793 3.170 20 30 CGEDMO C[N@H+]1CCCC(=NNCc2ccc(C(F)(F)F)cc2)CC1 ZINC000758106214 626827769 /nfs/dbraw/zinc/82/77/69/626827769.db2.gz GBAQFDVMABAOAH-UHFFFAOYSA-N 1 1 299.340 3.267 20 30 CGEDMO CC(=[NH+]NCc1ccc(F)cc1F)c1ccc(N)cc1C ZINC000758119871 626827865 /nfs/dbraw/zinc/82/78/65/626827865.db2.gz GWXQKJJVCNWUIJ-UHFFFAOYSA-N 1 1 289.329 3.369 20 30 CGEDMO CCCCCCCCC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000758200011 626833009 /nfs/dbraw/zinc/83/30/09/626833009.db2.gz DXOVFSRVZXUKBK-ZBFHGGJFSA-N 1 1 280.456 3.336 20 30 CGEDMO Cc1ccn(C[N@@H+]2CCCC3(CCCCC3)C2)c(=O)c1C#N ZINC000758223805 626833976 /nfs/dbraw/zinc/83/39/76/626833976.db2.gz ICRHPKAOYBPUFM-UHFFFAOYSA-N 1 1 299.418 3.032 20 30 CGEDMO Cc1ccn(C[N@H+]2CCCC3(CCCCC3)C2)c(=O)c1C#N ZINC000758223805 626833980 /nfs/dbraw/zinc/83/39/80/626833980.db2.gz ICRHPKAOYBPUFM-UHFFFAOYSA-N 1 1 299.418 3.032 20 30 CGEDMO C#CCC[N@H+](Cc1csc(Br)c1)C1CC1 ZINC000760889147 627000237 /nfs/dbraw/zinc/00/02/37/627000237.db2.gz ZWKWIGQOVZIQJU-UHFFFAOYSA-N 1 1 284.222 3.498 20 30 CGEDMO C#CCOCC[N@H+](C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000761108288 627017025 /nfs/dbraw/zinc/01/70/25/627017025.db2.gz JZMXHHRRBZADGY-GFCCVEGCSA-N 1 1 285.309 3.348 20 30 CGEDMO C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)[C@@H]2CCCC[C@@H]12 ZINC000763233087 627146076 /nfs/dbraw/zinc/14/60/76/627146076.db2.gz YCRYEPBBZVGGSI-FDPIWHGQSA-N 1 1 298.430 3.492 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OCC)c(OCC)c1)C1CC1 ZINC000763950108 627186292 /nfs/dbraw/zinc/18/62/92/627186292.db2.gz QTZXFELYPSTZLS-UHFFFAOYSA-N 1 1 273.376 3.082 20 30 CGEDMO C#CC[N@H+](Cc1cc(C)nc2ccccc12)C1CC1 ZINC000763949096 627186615 /nfs/dbraw/zinc/18/66/15/627186615.db2.gz AFILAEATMUQSCV-UHFFFAOYSA-N 1 1 250.345 3.141 20 30 CGEDMO C#CC[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000763951630 627186976 /nfs/dbraw/zinc/18/69/76/627186976.db2.gz ZDTZBURXYJKOKV-UHFFFAOYSA-N 1 1 253.267 3.303 20 30 CGEDMO C#CCC[N@@H+](C)CCCOc1cccc(Cl)c1 ZINC000764231654 627200741 /nfs/dbraw/zinc/20/07/41/627200741.db2.gz IUUAMKULXLUKIX-UHFFFAOYSA-N 1 1 251.757 3.064 20 30 CGEDMO C#CC[N@@H+](Cc1cc(C)ccc1OC(F)F)C1CC1 ZINC000764683871 627218320 /nfs/dbraw/zinc/21/83/20/627218320.db2.gz RXVUNTWGJRIGPO-UHFFFAOYSA-N 1 1 265.303 3.194 20 30 CGEDMO C#CC[N@H+](Cc1cc(C)ccc1OC(F)F)C1CC1 ZINC000764683871 627218322 /nfs/dbraw/zinc/21/83/22/627218322.db2.gz RXVUNTWGJRIGPO-UHFFFAOYSA-N 1 1 265.303 3.194 20 30 CGEDMO C=CC[C@@H]([NH2+]C1CCN(CCC)CC1)c1ccncc1 ZINC000766022294 627287561 /nfs/dbraw/zinc/28/75/61/627287561.db2.gz QZQBTJOCKMVGBQ-QGZVFWFLSA-N 1 1 273.424 3.163 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000766665571 627351505 /nfs/dbraw/zinc/35/15/05/627351505.db2.gz JHFAIOGJUIDKOT-LBPRGKRZSA-N 1 1 283.371 3.471 20 30 CGEDMO C#CCCC[N@@H+](CC(=O)OC)[C@H](CC)c1ccccc1 ZINC000766919662 627370911 /nfs/dbraw/zinc/37/09/11/627370911.db2.gz AXYUNMJMCUUXGH-MRXNPFEDSA-N 1 1 273.376 3.026 20 30 CGEDMO C[C@@H]1CC(N=Nc2ccccn2)C[N@@H+](Cc2ccccc2)C1 ZINC000767365669 627402343 /nfs/dbraw/zinc/40/23/43/627402343.db2.gz AOBNQLLAQICYDC-OAHLLOKOSA-N 1 1 294.402 3.392 20 30 CGEDMO C#C[C@H](C)N(C)c1cc(C)[nH+]c2c(OC)cccc12 ZINC000767439657 627408591 /nfs/dbraw/zinc/40/85/91/627408591.db2.gz LHZCSWSEKJHGOY-LBPRGKRZSA-N 1 1 254.333 3.010 20 30 CGEDMO CCOc1cccc(C[N@@H+](CCC#N)CC(C)C)c1O ZINC000768153484 627463600 /nfs/dbraw/zinc/46/36/00/627463600.db2.gz GUINFLPVESCTMK-UHFFFAOYSA-N 1 1 276.380 3.163 20 30 CGEDMO C[C@H](CC#N)NN=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000768366836 627476477 /nfs/dbraw/zinc/47/64/77/627476477.db2.gz JURAMKPVGJQAHV-OLMNPRSZSA-N 1 1 296.418 3.061 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCOC3(CCCCC3)C2)cc1 ZINC000769492928 627559957 /nfs/dbraw/zinc/55/99/57/627559957.db2.gz PEAVPMULBDLGQM-UHFFFAOYSA-N 1 1 299.414 3.234 20 30 CGEDMO CCOC(=O)[C@@H]([NH2+]CCCCC(C)(C)C#N)C(C)(C)C ZINC000769754678 627576133 /nfs/dbraw/zinc/57/61/33/627576133.db2.gz XVKJKXLKGYYFDP-CYBMUJFWSA-N 1 1 282.428 3.274 20 30 CGEDMO FC(F)(F)CN[NH+]=Cc1ccccc1N1CCCCC1 ZINC000769821024 627580842 /nfs/dbraw/zinc/58/08/42/627580842.db2.gz GMYALXGWSBLCTL-UHFFFAOYSA-N 1 1 285.313 3.163 20 30 CGEDMO C[C@@H]1CC[N@H+](Cc2ccccc2)CC1=NNCC(F)(F)F ZINC000769821614 627581092 /nfs/dbraw/zinc/58/10/92/627581092.db2.gz JEVOVWIIKPQOIJ-GFCCVEGCSA-N 1 1 299.340 3.036 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CC1=NNCC(F)(F)F ZINC000769821614 627581094 /nfs/dbraw/zinc/58/10/94/627581094.db2.gz JEVOVWIIKPQOIJ-GFCCVEGCSA-N 1 1 299.340 3.036 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)CCCOc1cccc(Cl)c1 ZINC000769954973 627592148 /nfs/dbraw/zinc/59/21/48/627592148.db2.gz ZDNNFZCCWLQXGP-LBPRGKRZSA-N 1 1 251.757 3.062 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)CCOc1ccc(Cl)cc1Cl ZINC000769961048 627592641 /nfs/dbraw/zinc/59/26/41/627592641.db2.gz NCZUHBJQCSIOAE-JTQLQIEISA-N 1 1 272.175 3.326 20 30 CGEDMO CCN(C)c1ccc(C[N@@H+](CCC#N)CC2CC2)cc1 ZINC000773754335 627911623 /nfs/dbraw/zinc/91/16/23/627911623.db2.gz MQGAPYOJRRCYIB-UHFFFAOYSA-N 1 1 271.408 3.268 20 30 CGEDMO CCN(C)c1ccc(C[N@H+](C[C@@H](C)C#N)C2CC2)cc1 ZINC000773806011 627917241 /nfs/dbraw/zinc/91/72/41/627917241.db2.gz TYVCZYHKNGYXQK-AWEZNQCLSA-N 1 1 271.408 3.267 20 30 CGEDMO CCN(C)c1ccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)cc1 ZINC000773806011 627917245 /nfs/dbraw/zinc/91/72/45/627917245.db2.gz TYVCZYHKNGYXQK-AWEZNQCLSA-N 1 1 271.408 3.267 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cc(C)cc(Br)c1 ZINC000775114088 628065689 /nfs/dbraw/zinc/06/56/89/628065689.db2.gz AFMHBXADGOLYED-UHFFFAOYSA-N 1 1 298.224 3.392 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cccc(OC2CCCC2)c1 ZINC000775183026 628070020 /nfs/dbraw/zinc/07/00/20/628070020.db2.gz GHEHDSSTPAVCBP-CQSZACIVSA-N 1 1 257.377 3.462 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1c(OC)ccc2ccccc21 ZINC000775182488 628070111 /nfs/dbraw/zinc/07/01/11/628070111.db2.gz ACGHTNDUBAOPRQ-CYBMUJFWSA-N 1 1 253.345 3.302 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(OCCC)c(OCC)c1 ZINC000775183467 628071202 /nfs/dbraw/zinc/07/12/02/628071202.db2.gz MZBKMTTWEGWVED-AWEZNQCLSA-N 1 1 275.392 3.328 20 30 CGEDMO CC(C)n1ccc(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)n1 ZINC000775337024 628083612 /nfs/dbraw/zinc/08/36/12/628083612.db2.gz WVTDUGHHLZGISV-AWEZNQCLSA-N 1 1 298.390 3.217 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1cccc(Cl)c1Cl)[C@H]1CCCO1 ZINC000775341895 628084911 /nfs/dbraw/zinc/08/49/11/628084911.db2.gz OGIRBIKIBRTWPY-CHWSQXEVSA-N 1 1 284.186 3.264 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](C(=O)NCCCCCC)C1 ZINC000775587907 628112511 /nfs/dbraw/zinc/11/25/11/628112511.db2.gz FJOCRRDPTJZTSZ-MRXNPFEDSA-N 1 1 280.456 3.361 20 30 CGEDMO Cc1ccc(C)c(N[NH+]=Cc2cnccc2N(C)C)c1 ZINC000776185421 628177255 /nfs/dbraw/zinc/17/72/55/628177255.db2.gz KMQSSDJXZMUCHB-UHFFFAOYSA-N 1 1 268.364 3.210 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H](SC)[C@@H](N2CCCC2)C1 ZINC000776483100 628213683 /nfs/dbraw/zinc/21/36/83/628213683.db2.gz CDBXYXUQSUMRGV-HOTGVXAUSA-N 1 1 284.513 3.468 20 30 CGEDMO CCCCCCCN1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000776483100 628213686 /nfs/dbraw/zinc/21/36/86/628213686.db2.gz CDBXYXUQSUMRGV-HOTGVXAUSA-N 1 1 284.513 3.468 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cn1ccc(C(F)(F)F)n1 ZINC000778585548 628359392 /nfs/dbraw/zinc/35/93/92/628359392.db2.gz RFDXZQZEBRGOFN-UHFFFAOYSA-N 1 1 299.296 3.183 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cn1ccc(C(F)(F)F)n1 ZINC000778585548 628359394 /nfs/dbraw/zinc/35/93/94/628359394.db2.gz RFDXZQZEBRGOFN-UHFFFAOYSA-N 1 1 299.296 3.183 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CC=CCC1 ZINC000779166459 628392244 /nfs/dbraw/zinc/39/22/44/628392244.db2.gz QBLVDWHUBPXANR-UHFFFAOYSA-N 1 1 261.752 3.114 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CC=CCC1 ZINC000779166459 628392245 /nfs/dbraw/zinc/39/22/45/628392245.db2.gz QBLVDWHUBPXANR-UHFFFAOYSA-N 1 1 261.752 3.114 20 30 CGEDMO CC(=NNc1cc[nH+]cc1)c1ccc(F)cc1Cl ZINC000779809501 628434126 /nfs/dbraw/zinc/43/41/26/628434126.db2.gz KDOUKHMGUVFVAT-UHFFFAOYSA-N 1 1 263.703 3.132 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2ccccc2OCC2CC2)nc1 ZINC000780553553 628498698 /nfs/dbraw/zinc/49/86/98/628498698.db2.gz FKJSVRWNPMZDQH-UHFFFAOYSA-N 1 1 293.370 3.032 20 30 CGEDMO CC[C@H]1C[C@H](C[N@@H+](CCC#N)CC(C)C)CCO1 ZINC000780755532 628514613 /nfs/dbraw/zinc/51/46/13/628514613.db2.gz WPLAFOUBBSEHMA-CABCVRRESA-N 1 1 252.402 3.063 20 30 CGEDMO CCON=C1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000781123730 628538432 /nfs/dbraw/zinc/53/84/32/628538432.db2.gz HFDPUWZZEDTXQV-CVEARBPZSA-N 1 1 272.392 3.311 20 30 CGEDMO N#CCC1CC[NH+](Cn2nc(Cl)c3ccccc32)CC1 ZINC000781570944 628573107 /nfs/dbraw/zinc/57/31/07/628573107.db2.gz DXQDFDPGXHHPIC-UHFFFAOYSA-N 1 1 288.782 3.273 20 30 CGEDMO C=CC[N@@H+](Cc1cnn(Cc2ccc(F)cc2)c1)C(C)C ZINC000783530099 628722759 /nfs/dbraw/zinc/72/27/59/628722759.db2.gz SZUBHPXGYRJCMB-UHFFFAOYSA-N 1 1 287.382 3.467 20 30 CGEDMO CC(C)c1cnc(C[NH2+]Cc2ccc(C#N)cc2)s1 ZINC000784500598 628817042 /nfs/dbraw/zinc/81/70/42/628817042.db2.gz FRMIGFJEFWUTRC-UHFFFAOYSA-N 1 1 271.389 3.428 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(F)cc1F ZINC000785998160 628906585 /nfs/dbraw/zinc/90/65/85/628906585.db2.gz XBDMIJUBHIPINZ-WFASDCNBSA-N 1 1 267.319 3.039 20 30 CGEDMO C=CC[N@H+](CCOCC(F)(F)C(F)(F)F)C(C)C ZINC000787182766 628999957 /nfs/dbraw/zinc/99/99/57/628999957.db2.gz FEWBJNHIXFVABB-UHFFFAOYSA-N 1 1 275.261 3.097 20 30 CGEDMO C#CC[N@H+](C[C@@H]1CC[C@H](C)O1)[C@@H]1CCc2ccccc21 ZINC000789308718 629123003 /nfs/dbraw/zinc/12/30/03/629123003.db2.gz AZCAEARBAGOVHQ-QILLFSRXSA-N 1 1 269.388 3.177 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)Cc2cc(C)c(C)cc2C)n1 ZINC000789759585 629166258 /nfs/dbraw/zinc/16/62/58/629166258.db2.gz WTXAKKADRJXQRJ-UHFFFAOYSA-N 1 1 295.430 3.464 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)Cc2cc(C)c(C)cc2C)n1 ZINC000789759585 629166260 /nfs/dbraw/zinc/16/62/60/629166260.db2.gz WTXAKKADRJXQRJ-UHFFFAOYSA-N 1 1 295.430 3.464 20 30 CGEDMO CC[C@H](C)NN=C1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000790187778 629191146 /nfs/dbraw/zinc/19/11/46/629191146.db2.gz HFNWPDROBGUVRR-UONOGXRCSA-N 1 1 259.397 3.025 20 30 CGEDMO CC[C@H](C)NN=C1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000790187778 629191147 /nfs/dbraw/zinc/19/11/47/629191147.db2.gz HFNWPDROBGUVRR-UONOGXRCSA-N 1 1 259.397 3.025 20 30 CGEDMO C=CC[N@@H+](Cc1c(O)cccc1Br)C1CC1 ZINC000862324917 629344435 /nfs/dbraw/zinc/34/44/35/629344435.db2.gz YGJZXKBXUAFASI-UHFFFAOYSA-N 1 1 282.181 3.305 20 30 CGEDMO C=CC[N@H+](Cc1c(O)cccc1Br)C1CC1 ZINC000862324917 629344441 /nfs/dbraw/zinc/34/44/41/629344441.db2.gz YGJZXKBXUAFASI-UHFFFAOYSA-N 1 1 282.181 3.305 20 30 CGEDMO CCCCCCCCC[N@H+]1CCN(C(C)=O)C[C@@H]1C ZINC000792238829 629351528 /nfs/dbraw/zinc/35/15/28/629351528.db2.gz ZTSIXEOSHXACPE-HNNXBMFYSA-N 1 1 268.445 3.290 20 30 CGEDMO C=CC[N@@H+](CCOC)Cc1cc(Cl)nc(Cl)c1 ZINC000792407372 629359293 /nfs/dbraw/zinc/35/92/93/629359293.db2.gz SFLGTTNXTPXGQK-UHFFFAOYSA-N 1 1 275.179 3.023 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cc(Cl)nc(Cl)c1 ZINC000792407372 629359296 /nfs/dbraw/zinc/35/92/96/629359296.db2.gz SFLGTTNXTPXGQK-UHFFFAOYSA-N 1 1 275.179 3.023 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000862399970 629363652 /nfs/dbraw/zinc/36/36/52/629363652.db2.gz IVWSXEGOGJMNRN-CQSZACIVSA-N 1 1 252.361 3.403 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cccc(OCCC)c2)C1 ZINC000862442651 629374947 /nfs/dbraw/zinc/37/49/47/629374947.db2.gz FCBJYRBJCJZYHM-OAHLLOKOSA-N 1 1 257.377 3.321 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(OC(C)C)cc2)C1 ZINC000862442874 629375580 /nfs/dbraw/zinc/37/55/80/629375580.db2.gz ISYUTHROMNNIJZ-HNNXBMFYSA-N 1 1 257.377 3.319 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2F)C1 ZINC000862442792 629375756 /nfs/dbraw/zinc/37/57/56/629375756.db2.gz IASOUKGLSKKDNJ-LLVKDONJSA-N 1 1 296.183 3.433 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(Br)cc2F)C1 ZINC000862442792 629375761 /nfs/dbraw/zinc/37/57/61/629375761.db2.gz IASOUKGLSKKDNJ-LLVKDONJSA-N 1 1 296.183 3.433 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC000862445295 629377765 /nfs/dbraw/zinc/37/77/65/629377765.db2.gz QBRPPUYTJJUOOV-OAHLLOKOSA-N 1 1 273.424 3.100 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cscc2Br)C1 ZINC000862446612 629379935 /nfs/dbraw/zinc/37/99/35/629379935.db2.gz BOZGGZJBKOEEQX-JTQLQIEISA-N 1 1 284.222 3.356 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2c(F)ccc(F)c2Cl)C1 ZINC000862447858 629380937 /nfs/dbraw/zinc/38/09/37/629380937.db2.gz ROQBKQFAQHKLML-SNVBAGLBSA-N 1 1 269.722 3.463 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2c(F)ccc(F)c2Cl)C1 ZINC000862447858 629380939 /nfs/dbraw/zinc/38/09/39/629380939.db2.gz ROQBKQFAQHKLML-SNVBAGLBSA-N 1 1 269.722 3.463 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000862473726 629383631 /nfs/dbraw/zinc/38/36/31/629383631.db2.gz ZPVDVBXVXODECN-CVEARBPZSA-N 1 1 287.428 3.169 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[NH+]1[C@H](C)C[C@H]1C ZINC000793219839 629430205 /nfs/dbraw/zinc/43/02/05/629430205.db2.gz GULIDUZSOHBBIL-VXGBXAGGSA-N 1 1 263.768 3.335 20 30 CGEDMO CC(C)CN[NH+]=Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000794525749 629550109 /nfs/dbraw/zinc/55/01/09/629550109.db2.gz GDDRUIWNOBWUJN-UHFFFAOYSA-N 1 1 287.329 3.351 20 30 CGEDMO C#CCC[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000794803808 629579295 /nfs/dbraw/zinc/57/92/95/629579295.db2.gz QEWINAIKUSBONR-DOMZBBRYSA-N 1 1 297.320 3.491 20 30 CGEDMO C#CCC[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C ZINC000794803808 629579297 /nfs/dbraw/zinc/57/92/97/629579297.db2.gz QEWINAIKUSBONR-DOMZBBRYSA-N 1 1 297.320 3.491 20 30 CGEDMO CO[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000864052746 629745865 /nfs/dbraw/zinc/74/58/65/629745865.db2.gz CTSMGQGZBGHLMF-WMLDXEAASA-N 1 1 284.403 3.241 20 30 CGEDMO CCCCCCC[N@@H+]1C[C@@H](CC)[S@@](=O)[C@@H](C)C1 ZINC000796376219 629773741 /nfs/dbraw/zinc/77/37/41/629773741.db2.gz NWTCGBSZDCDMMH-VBQJREDUSA-N 1 1 259.459 3.188 20 30 CGEDMO C#CC[N@@H+](C)Cc1cc(Cl)ccc1OCC1CC1 ZINC000796456191 629783580 /nfs/dbraw/zinc/78/35/80/629783580.db2.gz KUHYUDAPKAAAJX-UHFFFAOYSA-N 1 1 263.768 3.194 20 30 CGEDMO C#CC[N@H+](C)Cc1cc(Cl)ccc1OCC1CC1 ZINC000796456191 629783582 /nfs/dbraw/zinc/78/35/82/629783582.db2.gz KUHYUDAPKAAAJX-UHFFFAOYSA-N 1 1 263.768 3.194 20 30 CGEDMO CCCCCCCC[N@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000796556931 629799892 /nfs/dbraw/zinc/79/98/92/629799892.db2.gz QZMVCJORFAJTCZ-HOTGVXAUSA-N 1 1 269.429 3.227 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[NH+]2Cc3ccccc3C2)cc1 ZINC000119954062 629804924 /nfs/dbraw/zinc/80/49/24/629804924.db2.gz KNQQJJZULAGUMX-AWEZNQCLSA-N 1 1 278.355 3.493 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)Cc1ccc(F)c(C#N)c1 ZINC000796631070 629807650 /nfs/dbraw/zinc/80/76/50/629807650.db2.gz CIQIZKOFXIHJEG-UHFFFAOYSA-N 1 1 278.330 3.333 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(F)c(C#N)c1 ZINC000796631070 629807652 /nfs/dbraw/zinc/80/76/52/629807652.db2.gz CIQIZKOFXIHJEG-UHFFFAOYSA-N 1 1 278.330 3.333 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000796682343 629814569 /nfs/dbraw/zinc/81/45/69/629814569.db2.gz JATDGGIDIWMSKX-OAHLLOKOSA-N 1 1 280.412 3.086 20 30 CGEDMO COc1cccc(/C=N\C[C@H]2c3ccccc3C[N@H+]2C)c1O ZINC000864348314 629817400 /nfs/dbraw/zinc/81/74/00/629817400.db2.gz JALOLJVWSJUJSW-WSLMLHKMSA-N 1 1 296.370 3.006 20 30 CGEDMO COc1cccc(/C=N\C[C@H]2c3ccccc3C[N@@H+]2C)c1O ZINC000864348314 629817408 /nfs/dbraw/zinc/81/74/08/629817408.db2.gz JALOLJVWSJUJSW-WSLMLHKMSA-N 1 1 296.370 3.006 20 30 CGEDMO CC[C@@H]([NH2+]CC1(CC#N)CC1)c1ccc(F)cc1O ZINC000796978069 629868000 /nfs/dbraw/zinc/86/80/00/629868000.db2.gz LVHLZHBQADVDEI-CYBMUJFWSA-N 1 1 262.328 3.266 20 30 CGEDMO CCc1[nH+]c(C)cn1Cc1ccc(C#N)cc1OC(F)F ZINC000865393382 630098141 /nfs/dbraw/zinc/09/81/41/630098141.db2.gz SUXCTDVZQPRCCP-UHFFFAOYSA-N 1 1 291.301 3.275 20 30 CGEDMO C=CC[C@H]([NH2+]Cc1cn(C2CC2)cn1)c1ccncc1 ZINC000865465345 630135305 /nfs/dbraw/zinc/13/53/05/630135305.db2.gz XTMXEJRTWKRIDQ-INIZCTEOSA-N 1 1 268.364 3.020 20 30 CGEDMO C=CC[N@@H+](CC[C@@H]1CCOC1=O)CC1CCCCC1 ZINC000120573976 630140429 /nfs/dbraw/zinc/14/04/29/630140429.db2.gz JZTGEXLIBIVTQZ-OAHLLOKOSA-N 1 1 265.397 3.008 20 30 CGEDMO CC(=[NH+]N[C@@H](C)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000799109305 630143612 /nfs/dbraw/zinc/14/36/12/630143612.db2.gz AHIOKVAEUFMHQO-NSHDSACASA-N 1 1 298.346 3.252 20 30 CGEDMO O=C1C=C([NH2+]Nc2cccc3ccccc32)[C@H]2CCCN12 ZINC000799479318 630188040 /nfs/dbraw/zinc/18/80/40/630188040.db2.gz NDYPLFRQSNIWOK-MRXNPFEDSA-N 1 1 279.343 3.002 20 30 CGEDMO Fc1ccc(C(C=[NH+]n2cnnc2)c2ccc(F)cc2)cc1 ZINC000799866205 630235840 /nfs/dbraw/zinc/23/58/40/630235840.db2.gz XNMSDRLKJFFHQT-UHFFFAOYSA-N 1 1 298.296 3.222 20 30 CGEDMO CN(C)c1ccc(C#N)cc1C[NH2+]CC1(C#N)CCCCC1 ZINC000865630352 630236268 /nfs/dbraw/zinc/23/62/68/630236268.db2.gz KZVHNJOKFIIOQG-UHFFFAOYSA-N 1 1 296.418 3.188 20 30 CGEDMO C#CCC[N@H+](Cc1ccc(OC)cc1OC)[C@H](C)C1CC1 ZINC000801589070 630345999 /nfs/dbraw/zinc/34/59/99/630345999.db2.gz ZCIKQRQHHQTIGB-CQSZACIVSA-N 1 1 287.403 3.328 20 30 CGEDMO C=CC[N@@H+](CCO[C@@H](C)C#N)Cc1ccc(Cl)s1 ZINC000801910162 630363946 /nfs/dbraw/zinc/36/39/46/630363946.db2.gz MNLNJIJJFHELPN-NSHDSACASA-N 1 1 284.812 3.318 20 30 CGEDMO C=CC[N@H+](CCO[C@@H](C)C#N)Cc1ccc(Cl)s1 ZINC000801910162 630363949 /nfs/dbraw/zinc/36/39/49/630363949.db2.gz MNLNJIJJFHELPN-NSHDSACASA-N 1 1 284.812 3.318 20 30 CGEDMO CCOc1ccc(C[N@@H+](CCO[C@H](C)C#N)C(C)C)cc1 ZINC000801913460 630364854 /nfs/dbraw/zinc/36/48/54/630364854.db2.gz FBJOQAHFLQPLGK-OAHLLOKOSA-N 1 1 290.407 3.224 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000801923201 630367757 /nfs/dbraw/zinc/36/77/57/630367757.db2.gz BBWJUCHFTPGKJA-XJKCOSOUSA-N 1 1 276.355 3.137 20 30 CGEDMO CC[C@@H]1CCCC[N@H+]1CCNc1nc(Cl)c(C#N)s1 ZINC000804455568 630528850 /nfs/dbraw/zinc/52/88/50/630528850.db2.gz XOAPMMWBZSIHOV-SNVBAGLBSA-N 1 1 298.843 3.345 20 30 CGEDMO C=CCCCCCCNC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000807571278 630593398 /nfs/dbraw/zinc/59/33/98/630593398.db2.gz HOYZCCQZYHJXHO-INIZCTEOSA-N 1 1 293.455 3.001 20 30 CGEDMO C=CCc1cc(C[N@H+]2CC[C@H](SC)C2)c(O)c(OC)c1 ZINC000840117644 630599691 /nfs/dbraw/zinc/59/96/91/630599691.db2.gz WAHLOXCXJGQQLA-AWEZNQCLSA-N 1 1 293.432 3.067 20 30 CGEDMO C#Cc1ccc(C[NH2+]Cc2ccn(C3CCCC3)n2)cc1 ZINC000809628906 630767587 /nfs/dbraw/zinc/76/75/87/630767587.db2.gz VOENCGDIEBOCGA-UHFFFAOYSA-N 1 1 279.387 3.269 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)Cc2ccn(CC)c2)cc1 ZINC000809651403 630774188 /nfs/dbraw/zinc/77/41/88/630774188.db2.gz ILZWLADCTGXUEF-UHFFFAOYSA-N 1 1 252.361 3.121 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)cc1 ZINC000809758298 630800167 /nfs/dbraw/zinc/80/01/67/630800167.db2.gz ISQWIMHUOFKHNV-RTBURBONSA-N 1 1 283.415 3.307 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CCCc2occc2C1 ZINC000809792435 630811621 /nfs/dbraw/zinc/81/16/21/630811621.db2.gz VTZPMVJLDOTNID-UHFFFAOYSA-N 1 1 281.355 3.240 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1COC(=O)NC1CCCC1 ZINC000810034599 630832334 /nfs/dbraw/zinc/83/23/34/630832334.db2.gz VZEAFOYLWLRNAW-OAHLLOKOSA-N 1 1 280.412 3.086 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CC1)c1ccc(N2CCCCC2=O)cc1 ZINC000810132798 630841240 /nfs/dbraw/zinc/84/12/40/630841240.db2.gz WAKUAMSQTOTDME-AWEZNQCLSA-N 1 1 297.402 3.158 20 30 CGEDMO C=CC[C@H](C(=O)O[C@@H](C)Cn1cc[nH+]c1C)c1ccccc1 ZINC000810613005 630905620 /nfs/dbraw/zinc/90/56/20/630905620.db2.gz MDWPENLSFVNXON-YOEHRIQHSA-N 1 1 298.386 3.483 20 30 CGEDMO C=CCC[C@H](C)OC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810651573 630917840 /nfs/dbraw/zinc/91/78/40/630917840.db2.gz NUYLFVZFHCHPHX-WFASDCNBSA-N 1 1 271.376 3.097 20 30 CGEDMO C#CCCCCC[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000878631390 635581005 /nfs/dbraw/zinc/58/10/05/635581005.db2.gz FYMANSFRLRYCAP-HZPDHXFCSA-N 1 1 261.409 3.214 20 30 CGEDMO C=CC[C@@H](C)[N@@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000878709809 635611802 /nfs/dbraw/zinc/61/18/02/635611802.db2.gz UNFQXCKASSKCMT-BXUZGUMPSA-N 1 1 298.224 3.379 20 30 CGEDMO Cc1cccc(C(C)C)c1N[NH+]=Cc1cnc(N(C)C)n1C ZINC000812233565 631225279 /nfs/dbraw/zinc/22/52/79/631225279.db2.gz ZMOJFFGXKVSPDJ-UHFFFAOYSA-N 1 1 299.422 3.364 20 30 CGEDMO C=CCC(CC=C)C(=O)OCC[C@@H]1CCCC[N@@H+]1C ZINC000840288704 631416031 /nfs/dbraw/zinc/41/60/31/631416031.db2.gz FKXJRNKETPLHRV-HNNXBMFYSA-N 1 1 265.397 3.172 20 30 CGEDMO CC[C@@H]1CC[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000814178740 631539621 /nfs/dbraw/zinc/53/96/21/631539621.db2.gz BKJXUOAMQIQJGR-OAHLLOKOSA-N 1 1 257.381 3.021 20 30 CGEDMO CC(=[NH+]OCCC1CC1)c1ccc(N)cc1Cl ZINC000814245798 631560153 /nfs/dbraw/zinc/56/01/53/631560153.db2.gz ISWXLJWKTRFMJD-UHFFFAOYSA-N 1 1 252.745 3.463 20 30 CGEDMO CC(=[NH+]N[C@@H](C)C(C)(C)C)c1cc(F)c(N)c(F)c1 ZINC000814937802 631691825 /nfs/dbraw/zinc/69/18/25/631691825.db2.gz PPIBXMGVBGGQAO-VIFPVBQESA-N 1 1 269.339 3.295 20 30 CGEDMO CC[N@H+](C[C@@H](C)C#N)C[C@H](O)c1cccc2ccccc21 ZINC000815031560 631705164 /nfs/dbraw/zinc/70/51/64/631705164.db2.gz WUOMJURTQVPATB-KSSFIOAISA-N 1 1 282.387 3.355 20 30 CGEDMO CC[N@@H+](C[C@@H](C)C#N)C[C@H](O)c1cccc2ccccc21 ZINC000815031560 631705167 /nfs/dbraw/zinc/70/51/67/631705167.db2.gz WUOMJURTQVPATB-KSSFIOAISA-N 1 1 282.387 3.355 20 30 CGEDMO C=CCOCC[N@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000815048699 631707778 /nfs/dbraw/zinc/70/77/78/631707778.db2.gz ZEKCBTIMDZYCFX-INMHGKMJSA-N 1 1 275.392 3.040 20 30 CGEDMO CCCCCCCCN1CCO[C@@H]2CC[N@@H+](CC)C[C@@H]21 ZINC000815138074 631728532 /nfs/dbraw/zinc/72/85/32/631728532.db2.gz AJTILHJUYBWMDK-DLBZAZTESA-N 1 1 282.472 3.142 20 30 CGEDMO C#CC[N@@H+](Cc1conc1CC)[C@@H]1CCc2ccccc21 ZINC000816498059 631994683 /nfs/dbraw/zinc/99/46/83/631994683.db2.gz DVKAFDSDJQYTQD-GOSISDBHSA-N 1 1 280.371 3.360 20 30 CGEDMO C#CC[N@H+](Cc1conc1CC)[C@@H]1CCc2ccccc21 ZINC000816498059 631994686 /nfs/dbraw/zinc/99/46/86/631994686.db2.gz DVKAFDSDJQYTQD-GOSISDBHSA-N 1 1 280.371 3.360 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)C[C@@H]1CCC(F)(F)C1 ZINC000879432771 635787053 /nfs/dbraw/zinc/78/70/53/635787053.db2.gz OVQIIJNBHLCLQT-OAHLLOKOSA-N 1 1 278.346 3.468 20 30 CGEDMO CCCCCCCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000818170182 632293988 /nfs/dbraw/zinc/29/39/88/632293988.db2.gz MAIWODBECHPUBJ-KRWDZBQOSA-N 1 1 280.456 3.291 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)CCc2ccccn2)cc1 ZINC000120817033 632956267 /nfs/dbraw/zinc/95/62/67/632956267.db2.gz AURWOTNGMOJHNX-OAHLLOKOSA-N 1 1 295.386 3.047 20 30 CGEDMO C#CC[N@H+](C[C@@H](OC)C1CC1)[C@H]1CCc2ccccc21 ZINC000822588727 632979810 /nfs/dbraw/zinc/97/98/10/632979810.db2.gz XLFUANIEZIMOPY-ZWKOTPCHSA-N 1 1 269.388 3.034 20 30 CGEDMO Cc1cccc(NC2CCN(c3ccccc3C#N)CC2)[nH+]1 ZINC000866045255 632982946 /nfs/dbraw/zinc/98/29/46/632982946.db2.gz JIGTXYMSKPCIRW-UHFFFAOYSA-N 1 1 292.386 3.343 20 30 CGEDMO CC1CCC(c2noc([C@@H]([NH3+])CCCC#N)n2)CC1 ZINC000822760207 633018049 /nfs/dbraw/zinc/01/80/49/633018049.db2.gz IQMBWMPTENQYBR-MCIGGMRASA-N 1 1 262.357 3.057 20 30 CGEDMO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1cccnc1 ZINC000866214372 633031923 /nfs/dbraw/zinc/03/19/23/633031923.db2.gz CACSLYOSNHORDB-RYUDHWBXSA-N 1 1 267.332 3.071 20 30 CGEDMO N#CCCC[C@@H]([NH3+])c1nc(C2(c3ccccc3)CCC2)no1 ZINC000823006622 633049633 /nfs/dbraw/zinc/04/96/33/633049633.db2.gz KWFYAXAYCMPUTQ-CQSZACIVSA-N 1 1 296.374 3.233 20 30 CGEDMO N#CCCC[C@@H]([NH3+])c1nc(-c2ccc(Cl)cc2F)no1 ZINC000823248913 633080991 /nfs/dbraw/zinc/08/09/91/633080991.db2.gz XEEXLIKYZMQBNQ-LLVKDONJSA-N 1 1 294.717 3.223 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000823458911 633109210 /nfs/dbraw/zinc/10/92/10/633109210.db2.gz JPDADBGPVNWAOC-RHSMWYFYSA-N 1 1 294.439 3.141 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1F)C[C@](C)(O)c1ccccc1 ZINC000823607067 633126663 /nfs/dbraw/zinc/12/66/63/633126663.db2.gz YDPGXHVWVJGWAI-SFHVURJKSA-N 1 1 298.361 3.037 20 30 CGEDMO Cc1ncc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2O)s1 ZINC000866456310 633143256 /nfs/dbraw/zinc/14/32/56/633143256.db2.gz XUVWYMYYTKTKJX-UWVGGRQHSA-N 1 1 287.388 3.441 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1OCCCCO)C(C)C ZINC000876597183 634865572 /nfs/dbraw/zinc/86/55/72/634865572.db2.gz MGTANZPDCWXXAK-UHFFFAOYSA-N 1 1 277.408 3.234 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CCCC[C@H]2COC)cc1 ZINC000825294797 633342766 /nfs/dbraw/zinc/34/27/66/633342766.db2.gz ZDECVUREZQTQOC-KRWDZBQOSA-N 1 1 287.403 3.090 20 30 CGEDMO C[N@H+](CCC#N)C1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC000880346046 635978144 /nfs/dbraw/zinc/97/81/44/635978144.db2.gz KBTCILKOMZXZHB-UHFFFAOYSA-N 1 1 295.427 3.059 20 30 CGEDMO C[N@@H+](CCC#N)C1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC000880346046 635978148 /nfs/dbraw/zinc/97/81/48/635978148.db2.gz KBTCILKOMZXZHB-UHFFFAOYSA-N 1 1 295.427 3.059 20 30 CGEDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000826861328 633438408 /nfs/dbraw/zinc/43/84/08/633438408.db2.gz DWIREGWWKQEKEB-MAVJXHJTSA-N 1 1 283.419 3.391 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](C[C@H]2CCO[C@H](CC)C2)C1 ZINC000826948162 633445739 /nfs/dbraw/zinc/44/57/39/633445739.db2.gz WQHHUCLXKPXYKZ-OWCLPIDISA-N 1 1 251.414 3.480 20 30 CGEDMO CN(C)c1ccc(/C=C\C[N@@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000827651036 633507706 /nfs/dbraw/zinc/50/77/06/633507706.db2.gz YKTXLWYYSMZRIB-VGOKWCNXSA-N 1 1 269.392 3.001 20 30 CGEDMO CN(C)c1ccc(/C=C\C[N@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000827651036 633507708 /nfs/dbraw/zinc/50/77/08/633507708.db2.gz YKTXLWYYSMZRIB-VGOKWCNXSA-N 1 1 269.392 3.001 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CCC1)c1ccc(N2CCCC2=O)cc1 ZINC000828674463 633641220 /nfs/dbraw/zinc/64/12/20/633641220.db2.gz BLOBFIABIPDDKU-AWEZNQCLSA-N 1 1 297.402 3.158 20 30 CGEDMO N#CCCCCC(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC000888576140 633774654 /nfs/dbraw/zinc/77/46/54/633774654.db2.gz MCJGBALQGSPPNM-UHFFFAOYSA-N 1 1 286.379 3.094 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](CC(=O)N(c2ccccc2)C(C)C)C1 ZINC000829768575 633779113 /nfs/dbraw/zinc/77/91/13/633779113.db2.gz GNISKSFXEBHKNW-KRWDZBQOSA-N 1 1 298.430 3.163 20 30 CGEDMO C#CC[C@H]1CCC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000829784232 633782409 /nfs/dbraw/zinc/78/24/09/633782409.db2.gz HRMZHVYCEKJRLS-HOCLYGCPSA-N 1 1 252.361 3.355 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+]([C@@H](C(=O)OCC)c2ccccc2)C1 ZINC000829805602 633788882 /nfs/dbraw/zinc/78/88/82/633788882.db2.gz VMPVATDFPSQELS-NVXWUHKLSA-N 1 1 285.387 3.026 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000829810610 633792933 /nfs/dbraw/zinc/79/29/33/633792933.db2.gz RSDPMEZLDKPPMD-HNNXBMFYSA-N 1 1 252.361 3.102 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(C)nc2Cl)C1 ZINC000829815411 633795402 /nfs/dbraw/zinc/79/54/02/633795402.db2.gz LJZNYYBYBQOTNC-ZDUSSCGKSA-N 1 1 262.784 3.279 20 30 CGEDMO C#CC1CC[NH+](Cc2csc(Br)c2)CC1 ZINC000830316160 633848720 /nfs/dbraw/zinc/84/87/20/633848720.db2.gz GVKRIIGWIGMFNF-UHFFFAOYSA-N 1 1 284.222 3.356 20 30 CGEDMO C#CC1CC[NH+](Cc2ccc(Br)s2)CC1 ZINC000830321387 633849560 /nfs/dbraw/zinc/84/95/60/633849560.db2.gz JDBYODPJBZEKAX-UHFFFAOYSA-N 1 1 284.222 3.356 20 30 CGEDMO CC[N@@H+](CCCOc1ccc(C#N)cc1)CCSC ZINC000830993751 633906556 /nfs/dbraw/zinc/90/65/56/633906556.db2.gz BWOBFSQVEAPSLS-UHFFFAOYSA-N 1 1 278.421 3.012 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](c2cccc(Br)c2)C1 ZINC000831592295 633981536 /nfs/dbraw/zinc/98/15/36/633981536.db2.gz AKAPYPPDHDSYPP-ZDUSSCGKSA-N 1 1 278.193 3.262 20 30 CGEDMO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC000831679171 633992088 /nfs/dbraw/zinc/99/20/88/633992088.db2.gz SCCOBDYEXRAHKJ-CFVMTHIKSA-N 1 1 299.374 3.039 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](OC3CCC3)CC2)c1 ZINC000872260902 634091935 /nfs/dbraw/zinc/09/19/35/634091935.db2.gz VTJDQVHTEMLHJJ-SFHVURJKSA-N 1 1 284.403 3.482 20 30 CGEDMO CC1(C)[C@H]2[C@H](CCC[N@H+]2CCC2(C#N)CCCCC2)[C@@H]1O ZINC000872261124 634092336 /nfs/dbraw/zinc/09/23/36/634092336.db2.gz JDKJYSQEVCXTHD-XHSDSOJGSA-N 1 1 290.451 3.332 20 30 CGEDMO C=C(Br)C[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872277464 634097504 /nfs/dbraw/zinc/09/75/04/634097504.db2.gz ZOHSTMWKBHCPGA-CYBMUJFWSA-N 1 1 288.229 3.319 20 30 CGEDMO C=C(Br)C[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872277464 634097510 /nfs/dbraw/zinc/09/75/10/634097510.db2.gz ZOHSTMWKBHCPGA-CYBMUJFWSA-N 1 1 288.229 3.319 20 30 CGEDMO C=C(Cl)C[NH2+][C@H](C)c1cc(-c2ccccc2)nn1C ZINC000834658062 634210231 /nfs/dbraw/zinc/21/02/31/634210231.db2.gz IMQFWKQWUBMJDS-GFCCVEGCSA-N 1 1 275.783 3.490 20 30 CGEDMO CN(C)c1ccc(/C=C\C=[NH+]OCC(F)(F)F)cc1 ZINC000834964193 634295772 /nfs/dbraw/zinc/29/57/72/634295772.db2.gz RBRDVZVTCAVEJD-LBLZXBBTSA-N 1 1 272.270 3.331 20 30 CGEDMO CC(C)[N@@H+](C/C=C\c1ccc(N(C)C)cc1)CCC#N ZINC000835025774 634323948 /nfs/dbraw/zinc/32/39/48/634323948.db2.gz NIJGKNASVOAGGA-ALCCZGGFSA-N 1 1 271.408 3.390 20 30 CGEDMO CC(C)[N@H+](C/C=C\c1ccc(N(C)C)cc1)CCC#N ZINC000835025774 634323954 /nfs/dbraw/zinc/32/39/54/634323954.db2.gz NIJGKNASVOAGGA-ALCCZGGFSA-N 1 1 271.408 3.390 20 30 CGEDMO CC1(C)CCC[N@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876619555 634870053 /nfs/dbraw/zinc/87/00/53/634870053.db2.gz ZTLSFXBXPKEXCO-UHFFFAOYSA-N 1 1 263.772 3.229 20 30 CGEDMO CC1(C)CCC[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876619555 634870058 /nfs/dbraw/zinc/87/00/58/634870058.db2.gz ZTLSFXBXPKEXCO-UHFFFAOYSA-N 1 1 263.772 3.229 20 30 CGEDMO C[C@H]1CCC[N@H+](Cc2cc(C#N)cnc2Cl)[C@H]1C ZINC000876657618 634877248 /nfs/dbraw/zinc/87/72/48/634877248.db2.gz PNCANFYJIZWMDE-QWRGUYRKSA-N 1 1 263.772 3.227 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2cc(C#N)cnc2Cl)[C@H]1C ZINC000876657618 634877251 /nfs/dbraw/zinc/87/72/51/634877251.db2.gz PNCANFYJIZWMDE-QWRGUYRKSA-N 1 1 263.772 3.227 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cc(C#N)cnc2Cl)CC[C@@H]1C ZINC000876745177 634890393 /nfs/dbraw/zinc/89/03/93/634890393.db2.gz GGZBJMPIPKJYSC-QWRGUYRKSA-N 1 1 263.772 3.085 20 30 CGEDMO C[C@H]1C[N@H+](Cc2cc(C#N)cnc2Cl)CC[C@@H]1C ZINC000876745177 634890397 /nfs/dbraw/zinc/89/03/97/634890397.db2.gz GGZBJMPIPKJYSC-QWRGUYRKSA-N 1 1 263.772 3.085 20 30 CGEDMO C#CCCCCCC[N@H+]1CCN(CC(F)F)[C@@H](CC)C1 ZINC000876778894 634897496 /nfs/dbraw/zinc/89/74/96/634897496.db2.gz RNKKNFLMCPRFJK-HNNXBMFYSA-N 1 1 286.410 3.231 20 30 CGEDMO C#CCCCCCC[N@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000876817112 634904526 /nfs/dbraw/zinc/90/45/26/634904526.db2.gz XYXOANFPGNCJKS-AWEZNQCLSA-N 1 1 290.373 3.139 20 30 CGEDMO CCc1ccccc1C[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877058651 634966775 /nfs/dbraw/zinc/96/67/75/634966775.db2.gz DMHYUWDFCWUHQD-UHFFFAOYSA-N 1 1 285.778 3.459 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)n1 ZINC000877398016 635034331 /nfs/dbraw/zinc/03/43/31/635034331.db2.gz AHLWUAFLAQXRHS-GFCCVEGCSA-N 1 1 299.324 3.221 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)n1 ZINC000877398016 635034336 /nfs/dbraw/zinc/03/43/36/635034336.db2.gz AHLWUAFLAQXRHS-GFCCVEGCSA-N 1 1 299.324 3.221 20 30 CGEDMO COc1ccc(C[NH2+]CC2(C#N)CC2)cc1C(C)(C)C ZINC000877494747 635060016 /nfs/dbraw/zinc/06/00/16/635060016.db2.gz SOEVQIHIMSLVHI-UHFFFAOYSA-N 1 1 272.392 3.386 20 30 CGEDMO C#CCCCCCC[N@@H+]1CC[C@@H](N2CCCC2)[C@H]1C ZINC000877521878 635070262 /nfs/dbraw/zinc/07/02/62/635070262.db2.gz JYQDKUMOJWRFQD-IAGOWNOFSA-N 1 1 262.441 3.129 20 30 CGEDMO C#CCCCCCCN1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000877521878 635070268 /nfs/dbraw/zinc/07/02/68/635070268.db2.gz JYQDKUMOJWRFQD-IAGOWNOFSA-N 1 1 262.441 3.129 20 30 CGEDMO C[C@H](CCC#N)C[N@H+](CCc1ccccc1)CCN(C)C ZINC000877522632 635070385 /nfs/dbraw/zinc/07/03/85/635070385.db2.gz PWAFGSLPLRTFJS-QGZVFWFLSA-N 1 1 287.451 3.033 20 30 CGEDMO CC[N@H+](Cc1ccc(N(C)C)cc1C)C[C@H](C)C#N ZINC000840909867 635080093 /nfs/dbraw/zinc/08/00/93/635080093.db2.gz AKPGHZAHZFONIK-CYBMUJFWSA-N 1 1 259.397 3.043 20 30 CGEDMO C#C[C@H]([NH2+]C[C@H]1CC1(Cl)Cl)c1ccc(F)cc1 ZINC000877544793 635083376 /nfs/dbraw/zinc/08/33/76/635083376.db2.gz XIGDUUJIMXXMAO-PWSUYJOCSA-N 1 1 272.150 3.283 20 30 CGEDMO C=CCC[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)C(=O)OCC ZINC000877571777 635097295 /nfs/dbraw/zinc/09/72/95/635097295.db2.gz JJYWBNABFZCLJH-QLFBSQMISA-N 1 1 297.439 3.068 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000877617548 635114683 /nfs/dbraw/zinc/11/46/83/635114683.db2.gz QUFNDCLGSXSWHF-GFCCVEGCSA-N 1 1 286.325 3.358 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)C[C@H]1CC1(Cl)Cl ZINC000877704188 635156000 /nfs/dbraw/zinc/15/60/00/635156000.db2.gz FKLKDNWEHHSYBQ-CYBMUJFWSA-N 1 1 283.202 3.226 20 30 CGEDMO C[N@H+]1CC[C@@H]2CN(Cc3ccc(C(C)(C)C#N)cc3)CC[C@H]21 ZINC000877738740 635172520 /nfs/dbraw/zinc/17/25/20/635172520.db2.gz CVEFWGVERXDTDU-SJLPKXTDSA-N 1 1 297.446 3.014 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000842150920 635295699 /nfs/dbraw/zinc/29/56/99/635295699.db2.gz XXISKHHHKWYEMU-QGZVFWFLSA-N 1 1 272.392 3.270 20 30 CGEDMO CCCCCCCCC[N@H+]1C[C@H](C)N(CCO)C[C@@H]1C ZINC000842162869 635301489 /nfs/dbraw/zinc/30/14/89/635301489.db2.gz IWINCAVVWSZHLP-IRXDYDNUSA-N 1 1 284.488 3.124 20 30 CGEDMO C#CCCCCC[N@@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000877976284 635301467 /nfs/dbraw/zinc/30/14/67/635301467.db2.gz GOWPRKCEFYRKOY-INIZCTEOSA-N 1 1 271.408 3.158 20 30 CGEDMO C#CCCCCC[NH+]1CCN(CCC(C)(C)C)CC1 ZINC000877986918 635307045 /nfs/dbraw/zinc/30/70/45/635307045.db2.gz VLRGWADUGJMZHV-UHFFFAOYSA-N 1 1 264.457 3.234 20 30 CGEDMO CC[C@@H](C)C[N@@H+](C)CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878093112 635353122 /nfs/dbraw/zinc/35/31/22/635353122.db2.gz FMYCEZZNXCPUHR-CRAIPNDOSA-N 1 1 286.419 3.405 20 30 CGEDMO CC(=NNC12CC(C1)C2)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000842545552 635398241 /nfs/dbraw/zinc/39/82/41/635398241.db2.gz IBKIVWKFTKZFTF-UHFFFAOYSA-N 1 1 280.375 3.047 20 30 CGEDMO CC[C@@H]1CC[N@@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878184622 635398808 /nfs/dbraw/zinc/39/88/08/635398808.db2.gz XXOUDEQTYWJKOV-SJLPKXTDSA-N 1 1 284.403 3.159 20 30 CGEDMO C[C@@H]1CC(N=NC23CC(C2)C3)C[N@@H+](Cc2ccccc2)C1 ZINC000842547914 635400519 /nfs/dbraw/zinc/40/05/19/635400519.db2.gz ZJDQHXPZAOBGPK-MXWWQKGMSA-N 1 1 283.419 3.027 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000878252055 635431895 /nfs/dbraw/zinc/43/18/95/635431895.db2.gz APBFRALCFNNBKB-HUUCEWRRSA-N 1 1 287.407 3.005 20 30 CGEDMO C#CCCCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000878285574 635444453 /nfs/dbraw/zinc/44/44/53/635444453.db2.gz CFQPWWWPWZTEAP-FUHWJXTLSA-N 1 1 274.452 3.129 20 30 CGEDMO C#CCCCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000878285574 635444459 /nfs/dbraw/zinc/44/44/59/635444459.db2.gz CFQPWWWPWZTEAP-FUHWJXTLSA-N 1 1 274.452 3.129 20 30 CGEDMO C#CCCCCC[N@@H+]1CCC[C@H](C(C)(C)C(=O)OC)C1 ZINC000878339240 635466184 /nfs/dbraw/zinc/46/61/84/635466184.db2.gz BEKDMCXNRUDOTD-HNNXBMFYSA-N 1 1 279.424 3.091 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000878384394 635483781 /nfs/dbraw/zinc/48/37/81/635483781.db2.gz KTMKUMWKQLMKMK-MJBXVCDLSA-N 1 1 282.428 3.186 20 30 CGEDMO C#CCCCCCC(=O)OC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000842828732 635484694 /nfs/dbraw/zinc/48/46/94/635484694.db2.gz CZPCPJZUCOMVAR-MRXNPFEDSA-N 1 1 279.424 3.234 20 30 CGEDMO CC[N@@H+](CC1(CC#N)CC1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000878635901 635582104 /nfs/dbraw/zinc/58/21/04/635582104.db2.gz SXRUTPRKJYIOPF-GOEBONIOSA-N 1 1 272.392 3.124 20 30 CGEDMO C#CCCCCC[N@H+]1CCC=C(c2ccccn2)C1 ZINC000878649154 635589965 /nfs/dbraw/zinc/58/99/65/635589965.db2.gz WKNDAADEUHJQHO-UHFFFAOYSA-N 1 1 254.377 3.364 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000878903557 635654227 /nfs/dbraw/zinc/65/42/27/635654227.db2.gz GEXCYJMTPGGRSW-UKRRQHHQSA-N 1 1 267.376 3.384 20 30 CGEDMO C=CC[N@@H+](Cc1cn(C)nc1-c1ccc(C)o1)C(C)C ZINC000843394653 635658503 /nfs/dbraw/zinc/65/85/03/635658503.db2.gz UROYFRRXQBZURJ-UHFFFAOYSA-N 1 1 273.380 3.385 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)cc1 ZINC000843415603 635661600 /nfs/dbraw/zinc/66/16/00/635661600.db2.gz DCOQVEWFFZYVRS-MJGOQNOKSA-N 1 1 299.414 3.090 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000843423226 635667145 /nfs/dbraw/zinc/66/71/45/635667145.db2.gz AKXJPOSQZDGRKL-CQSZACIVSA-N 1 1 294.439 3.025 20 30 CGEDMO N#CCc1cccc2c1CC[N@@H+](CCCC1CC1)C2 ZINC000879065820 635694444 /nfs/dbraw/zinc/69/44/44/635694444.db2.gz YQDJUXBSKOWTFS-UHFFFAOYSA-N 1 1 254.377 3.301 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879563388 635811395 /nfs/dbraw/zinc/81/13/95/635811395.db2.gz CMSQFTGYWLTBEL-HZPDHXFCSA-N 1 1 272.417 3.052 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CC[C@H](c2ccccc2F)C1(C)C ZINC000879641466 635825676 /nfs/dbraw/zinc/82/56/76/635825676.db2.gz YIWALFOYGBFBKX-DZGCQCFKSA-N 1 1 290.382 3.322 20 30 CGEDMO C[N@@H+](C[C@H](O)c1cccc(C#N)c1)[C@@H]1C=CCCCCC1 ZINC000844370757 635883175 /nfs/dbraw/zinc/88/31/75/635883175.db2.gz JDADALWTUUEFMH-MSOLQXFVSA-N 1 1 284.403 3.412 20 30 CGEDMO Cc1csc([C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)n1 ZINC000880012378 635898171 /nfs/dbraw/zinc/89/81/71/635898171.db2.gz QVZLXQXBEPMQHJ-INIZCTEOSA-N 1 1 282.412 3.293 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)cc1 ZINC000844433401 635899004 /nfs/dbraw/zinc/89/90/04/635899004.db2.gz FXSZHJZWONVCPO-AWEZNQCLSA-N 1 1 262.303 3.179 20 30 CGEDMO N#CCOc1ccc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)cc1 ZINC000844435417 635899871 /nfs/dbraw/zinc/89/98/71/635899871.db2.gz DCGJKTYABJQRLK-HNNXBMFYSA-N 1 1 292.329 3.210 20 30 CGEDMO C=C[C@H](C)O[NH+]=C(C)c1ccc(N2CCCC2)cc1O ZINC000844621519 635944134 /nfs/dbraw/zinc/94/41/34/635944134.db2.gz ILMOJFVPIQGBHI-LBPRGKRZSA-N 1 1 274.364 3.308 20 30 CGEDMO C=C[C@H](C)O[NH+]=Cc1c(Cl)cccc1N1CCOCC1 ZINC000844622734 635944840 /nfs/dbraw/zinc/94/48/40/635944840.db2.gz AHPOGJRKFHBGDS-LBPRGKRZSA-N 1 1 294.782 3.102 20 30 CGEDMO N#Cc1ccc(C[NH+]2CCC(F)CC2)c(OC(F)F)c1 ZINC000880241658 635950607 /nfs/dbraw/zinc/95/06/07/635950607.db2.gz FYJPUTAOYNBGBS-UHFFFAOYSA-N 1 1 284.281 3.094 20 30 CGEDMO CCc1ccc(C[NH+]2CCN([C@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000880249288 635957055 /nfs/dbraw/zinc/95/70/55/635957055.db2.gz VHNNHNLXQKHEFA-MOPGFXCFSA-N 1 1 297.446 3.059 20 30 CGEDMO CCCC(N)=[NH+]OCc1coc(-c2cccc(F)c2)n1 ZINC000105606082 635959410 /nfs/dbraw/zinc/95/94/10/635959410.db2.gz KEXIKTWGUJCFND-UHFFFAOYSA-N 1 1 277.299 3.070 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000880829687 636052682 /nfs/dbraw/zinc/05/26/82/636052682.db2.gz NSYGCNMSSDDJFG-OAHLLOKOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)C(=O)OC2CCCC2)C1 ZINC000845963117 636125020 /nfs/dbraw/zinc/12/50/20/636125020.db2.gz KZFJCGGXOFCYJA-BFHYXJOUSA-N 1 1 265.397 3.195 20 30 CGEDMO Cc1ccc(N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c(C#N)n1 ZINC000881821799 636204177 /nfs/dbraw/zinc/20/41/77/636204177.db2.gz NINHNCTVEMHVRY-XHSDSOJGSA-N 1 1 298.434 3.103 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1cc(C(C)C)ccc1OC)[C@H]1CCCO1 ZINC000846862653 636265160 /nfs/dbraw/zinc/26/51/60/636265160.db2.gz WMVHBTBCWLYBBI-SJLPKXTDSA-N 1 1 287.403 3.089 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000846980832 636300025 /nfs/dbraw/zinc/30/00/25/636300025.db2.gz JIISUAJGUBHCCQ-QWHCGFSZSA-N 1 1 286.297 3.021 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2csc(Br)c2)C1 ZINC000847026427 636316604 /nfs/dbraw/zinc/31/66/04/636316604.db2.gz YYFUQLJJTHFGBM-JTQLQIEISA-N 1 1 284.222 3.356 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2csc(Br)c2)C1 ZINC000847026427 636316608 /nfs/dbraw/zinc/31/66/08/636316608.db2.gz YYFUQLJJTHFGBM-JTQLQIEISA-N 1 1 284.222 3.356 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2csc(CCCC)n2)C1 ZINC000847026410 636317598 /nfs/dbraw/zinc/31/75/98/636317598.db2.gz YRGYEFXJOILYHA-CYBMUJFWSA-N 1 1 262.422 3.331 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2csc(CCCC)n2)C1 ZINC000847026410 636317606 /nfs/dbraw/zinc/31/76/06/636317606.db2.gz YRGYEFXJOILYHA-CYBMUJFWSA-N 1 1 262.422 3.331 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000847026829 636317738 /nfs/dbraw/zinc/31/77/38/636317738.db2.gz HTNCAOLHIWBCND-KBPBESRZSA-N 1 1 281.359 3.143 20 30 CGEDMO C#C[C@H]1CCC[N@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000847038143 636320539 /nfs/dbraw/zinc/32/05/39/636320539.db2.gz WVAGKHZXGHAFKZ-WFASDCNBSA-N 1 1 297.320 3.084 20 30 CGEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)C1CCCCCCC1 ZINC000130184411 636429700 /nfs/dbraw/zinc/42/97/00/636429700.db2.gz XTJVABLDBHGAQO-HNNXBMFYSA-N 1 1 293.455 3.039 20 30 CGEDMO C=CC[C@@H](C(=O)OCC[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000847821659 636459910 /nfs/dbraw/zinc/45/99/10/636459910.db2.gz KGPGRXAXUNFCOG-DOTOQJQBSA-N 1 1 287.403 3.231 20 30 CGEDMO C=CCCC[C@H]([NH2+]Cc1nncn1CC)c1ccccc1 ZINC000883173305 636566559 /nfs/dbraw/zinc/56/65/59/636566559.db2.gz HYQIWTVTFSRNRB-INIZCTEOSA-N 1 1 284.407 3.485 20 30 CGEDMO CC(C)c1nccnc1N=NC1CCC[N@H+]2CCCC[C@@H]12 ZINC000848409647 636569705 /nfs/dbraw/zinc/56/97/05/636569705.db2.gz BANBVGYUJQGZIN-AWEZNQCLSA-N 1 1 287.411 3.016 20 30 CGEDMO C[C@@H]1C[C@H]1C(N)=[NH+]OCc1ccccc1C(C)(C)C#N ZINC000848519083 636585324 /nfs/dbraw/zinc/58/53/24/636585324.db2.gz NCNCYZFWKGCUPW-DGCLKSJQSA-N 1 1 271.364 3.142 20 30 CGEDMO N#CCCCC[C@H]([NH3+])c1nc([C@@H]2CCc3ccccc32)no1 ZINC000848622132 636621393 /nfs/dbraw/zinc/62/13/93/636621393.db2.gz SENQVIRMOSDFBN-CABCVRRESA-N 1 1 296.374 3.231 20 30 CGEDMO N#CCCCC[C@H]([NH3+])c1nc(CC2CCCCC2)no1 ZINC000848622742 636622542 /nfs/dbraw/zinc/62/25/42/636622542.db2.gz YFONFRBSCJMEMM-ZDUSSCGKSA-N 1 1 276.384 3.276 20 30 CGEDMO N#Cc1sc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)nc1Cl ZINC000848785269 636656950 /nfs/dbraw/zinc/65/69/50/636656950.db2.gz KDCXTRFPYJAPJG-NXEZZACHSA-N 1 1 296.827 3.097 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000848924183 636695455 /nfs/dbraw/zinc/69/54/55/636695455.db2.gz WYXSPRRNFQWUNY-OAHLLOKOSA-N 1 1 286.394 3.271 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(C)c3ncccc3c2)C1 ZINC000848924129 636696183 /nfs/dbraw/zinc/69/61/83/636696183.db2.gz OHFNFZQKGMDWLY-HNNXBMFYSA-N 1 1 264.372 3.388 20 30 CGEDMO CCOc1ccc(/C=N\C[C@H]2CC[N@H+]2C(C)(C)C)c(O)c1 ZINC000849169991 636762446 /nfs/dbraw/zinc/76/24/46/636762446.db2.gz JEVXJPBBLZYQAI-JVVDOCDTSA-N 1 1 290.407 3.083 20 30 CGEDMO C#CCCOc1ccc(C[NH2+][C@@H](C)c2cscn2)cc1 ZINC000850359844 637028035 /nfs/dbraw/zinc/02/80/35/637028035.db2.gz SXFRISQTSICSPV-ZDUSSCGKSA-N 1 1 286.400 3.396 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2cscn2)cc1 ZINC000850359904 637028261 /nfs/dbraw/zinc/02/82/61/637028261.db2.gz VVVKETINLFRCDK-NEPJUHHUSA-N 1 1 287.388 3.285 20 30 CGEDMO COCc1c(C)cc(C)c(C=NNc2cc[nH+]cc2)c1C ZINC000884448080 637028475 /nfs/dbraw/zinc/02/84/75/637028475.db2.gz QZYGQVUNUCKMTH-UHFFFAOYSA-N 1 1 283.375 3.021 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](Nc2cccc(C(F)F)c2C#N)C1 ZINC000884611289 637094589 /nfs/dbraw/zinc/09/45/89/637094589.db2.gz IRCNFSSENRVDQD-LBPRGKRZSA-N 1 1 289.329 3.005 20 30 CGEDMO C=CCOCCC[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000850532846 637109621 /nfs/dbraw/zinc/10/96/21/637109621.db2.gz YDSJFPKFOSMWHI-AWEZNQCLSA-N 1 1 267.344 3.165 20 30 CGEDMO C[N@H+](Cc1cn2ccccc2c1C#N)Cc1ccccc1O ZINC000109773105 637268107 /nfs/dbraw/zinc/26/81/07/637268107.db2.gz OHHYBTWFXYHKLP-UHFFFAOYSA-N 1 1 291.354 3.149 20 30 CGEDMO C[N@@H+](Cc1cn2ccccc2c1C#N)Cc1ccccc1O ZINC000109773105 637268113 /nfs/dbraw/zinc/26/81/13/637268113.db2.gz OHHYBTWFXYHKLP-UHFFFAOYSA-N 1 1 291.354 3.149 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@@H]2c2cccs2)CCC1 ZINC000885931196 637316858 /nfs/dbraw/zinc/31/68/58/637316858.db2.gz QBQFGRYBEYOZKN-ZIAGYGMSSA-N 1 1 290.432 3.330 20 30 CGEDMO Cc1ccccc1[C@@H]1CC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000885977492 637340104 /nfs/dbraw/zinc/34/01/04/637340104.db2.gz IREUZENFTXKTGQ-SJORKVTESA-N 1 1 298.430 3.229 20 30 CGEDMO CC(C)CC[C@H]1CCC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886044063 637384314 /nfs/dbraw/zinc/38/43/14/637384314.db2.gz PPLCKBLESYNZAM-CVEARBPZSA-N 1 1 278.440 3.332 20 30 CGEDMO C=CC(C)(C)C(=O)OC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000851470613 637409139 /nfs/dbraw/zinc/40/91/39/637409139.db2.gz RPNSVURUQWGKHC-HNNXBMFYSA-N 1 1 273.376 3.016 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@@H]1C[C@@]12CCOC2 ZINC000886181416 637450227 /nfs/dbraw/zinc/45/02/27/637450227.db2.gz LBCBLVHOZLTNGQ-ZWKOTPCHSA-N 1 1 271.404 3.491 20 30 CGEDMO CCCCCCCCC[N@@H+](C)C[C@H]1CCC(=O)O1 ZINC000851736507 637485692 /nfs/dbraw/zinc/48/56/92/637485692.db2.gz RJKUJQTUUWHJMD-CQSZACIVSA-N 1 1 255.402 3.374 20 30 CGEDMO C#CCOCC[N@@H+]1CC[C@@H](C)C[C@H]1c1ccc(C)o1 ZINC000851792196 637504942 /nfs/dbraw/zinc/50/49/42/637504942.db2.gz JMQBHGFNMDOQDS-HIFRSBDPSA-N 1 1 261.365 3.011 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000886355448 637510686 /nfs/dbraw/zinc/51/06/86/637510686.db2.gz IWFAPIGQTJNAAY-AWEZNQCLSA-N 1 1 266.344 3.187 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000886356122 637511294 /nfs/dbraw/zinc/51/12/94/637511294.db2.gz UHVLCPRUBCPZIN-IUODEOHRSA-N 1 1 297.320 3.084 20 30 CGEDMO C#CC[C@@H]1CC[N@H+]([C@@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000886356387 637511370 /nfs/dbraw/zinc/51/13/70/637511370.db2.gz YVOUYBXSIHLFAQ-LSDHHAIUSA-N 1 1 295.386 3.451 20 30 CGEDMO C#CC[C@@H]1CC[N@H+]([C@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000886357505 637511775 /nfs/dbraw/zinc/51/17/75/637511775.db2.gz IEILBNLOTVNQOI-GDBMZVCRSA-N 1 1 295.386 3.067 20 30 CGEDMO C#C[C@](C)(CC)[NH2+]Cc1csc([C@@H](C)OCC)n1 ZINC000852102269 637596052 /nfs/dbraw/zinc/59/60/52/637596052.db2.gz KLRDWLSZQAGXBN-BXUZGUMPSA-N 1 1 266.410 3.132 20 30 CGEDMO C[C@H]([NH2+]CC(C)(C)CC#N)c1c(O)cccc1F ZINC000886623358 637614690 /nfs/dbraw/zinc/61/46/90/637614690.db2.gz BQUWHYRONGZTAP-JTQLQIEISA-N 1 1 250.317 3.122 20 30 CGEDMO C#CCOCC[N@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000852207368 637616978 /nfs/dbraw/zinc/61/69/78/637616978.db2.gz GDMPKCDTTFXDGH-KRWDZBQOSA-N 1 1 267.372 3.030 20 30 CGEDMO Cc1cccc(C)c1[C@H]1CCC[N@@H+]1CCO[C@H](C)C#N ZINC000852312595 637633475 /nfs/dbraw/zinc/63/34/75/637633475.db2.gz OFPQXZXPZXJDFE-HZPDHXFCSA-N 1 1 272.392 3.369 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(F)c(F)c2)C1 ZINC000852408966 637647225 /nfs/dbraw/zinc/64/72/25/637647225.db2.gz DMTDZEOQNMUPKS-WBMJQRKESA-N 1 1 281.346 3.286 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](C[C@H](O)c2cccc(F)c2)C1 ZINC000852412231 637648439 /nfs/dbraw/zinc/64/84/39/637648439.db2.gz ZUMOGGSSHMUXMU-BBRMVZONSA-N 1 1 263.356 3.147 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc(OC(C)=O)cc2)C1 ZINC000852410229 637649345 /nfs/dbraw/zinc/64/93/45/637649345.db2.gz KDSULQZZHCCGFP-OAHLLOKOSA-N 1 1 273.376 3.400 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2ccccc2CC(=O)OC)C1 ZINC000852410954 637649619 /nfs/dbraw/zinc/64/96/19/637649619.db2.gz QQUOPFLHQYMTDI-HNNXBMFYSA-N 1 1 287.403 3.190 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886799174 637696647 /nfs/dbraw/zinc/69/66/47/637696647.db2.gz NRUPFCDTSCWBGK-GFCCVEGCSA-N 1 1 267.335 3.204 20 30 CGEDMO C#CCC[N@@H+](CCOC)CCSc1ccc(F)cc1F ZINC000852749948 637706670 /nfs/dbraw/zinc/70/66/70/637706670.db2.gz ITLMQEWSBWNIOZ-UHFFFAOYSA-N 1 1 299.386 3.029 20 30 CGEDMO C=CCCCC[N@@H+]1CCc2cc(O)c(OC)cc2C1 ZINC000887108822 637752286 /nfs/dbraw/zinc/75/22/86/637752286.db2.gz YGZARJSCLWRQDK-UHFFFAOYSA-N 1 1 261.365 3.115 20 30 CGEDMO CCN(CC)c1ncc(C=[NH+]N2CCCC[C@H]2C)s1 ZINC000853379190 637827708 /nfs/dbraw/zinc/82/77/08/637827708.db2.gz LZKMWEFQSFNCTN-GFCCVEGCSA-N 1 1 280.441 3.198 20 30 CGEDMO CCc1[nH+]c(C=NOCC2CCC2)c2ccccn21 ZINC000853439609 637844163 /nfs/dbraw/zinc/84/41/63/637844163.db2.gz NCPFWJLAHVNOBJ-UHFFFAOYSA-N 1 1 257.337 3.047 20 30 CGEDMO C=CC[N@H+](CN1CC[C@H](C2CCCCC2)C1=O)C1CC1 ZINC000853504642 637857829 /nfs/dbraw/zinc/85/78/29/637857829.db2.gz BZCHQJCRXNDAPT-MRXNPFEDSA-N 1 1 276.424 3.023 20 30 CGEDMO C=CC[N@@H+](CN1CC[C@H](C2CCCCC2)C1=O)C1CC1 ZINC000853504642 637857831 /nfs/dbraw/zinc/85/78/31/637857831.db2.gz BZCHQJCRXNDAPT-MRXNPFEDSA-N 1 1 276.424 3.023 20 30 CGEDMO C=CC[N@H+](Cn1ccc(-c2ccccc2)n1)[C@H](C)COC ZINC000853532636 637862966 /nfs/dbraw/zinc/86/29/66/637862966.db2.gz ISJJEEMVTOPXFU-OAHLLOKOSA-N 1 1 285.391 3.031 20 30 CGEDMO C=CC[N@@H+](Cn1ccc(-c2ccccc2)n1)[C@H](C)COC ZINC000853532636 637862972 /nfs/dbraw/zinc/86/29/72/637862972.db2.gz ISJJEEMVTOPXFU-OAHLLOKOSA-N 1 1 285.391 3.031 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1C(=O)[C@@H](C)[C@H]1c1ccccc1 ZINC000853598417 637871452 /nfs/dbraw/zinc/87/14/52/637871452.db2.gz QQYCVHIMDZEGCG-OWLYRPNTSA-N 1 1 296.414 3.347 20 30 CGEDMO CCCCCCCC(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000854736302 638096916 /nfs/dbraw/zinc/09/69/16/638096916.db2.gz DWKKSWABMZDROJ-QGZVFWFLSA-N 1 1 280.456 3.291 20 30 CGEDMO C=CC[C@H]1CCCC[C@@H]1NC(=O)CCCn1cc[nH+]c1C ZINC000855170408 638152049 /nfs/dbraw/zinc/15/20/49/638152049.db2.gz QLMGXTMZBCSHAM-HOTGVXAUSA-N 1 1 289.423 3.223 20 30 CGEDMO CC(C)n1cc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)nn1 ZINC000924786667 638405188 /nfs/dbraw/zinc/40/51/88/638405188.db2.gz SNDALBAJOIFNDH-CHWSQXEVSA-N 1 1 283.379 3.142 20 30 CGEDMO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1c2ccccc2OC[C@H]1F ZINC000926891508 638821918 /nfs/dbraw/zinc/82/19/18/638821918.db2.gz YXIRVQUKFTYNHE-KYOSRNDESA-N 1 1 276.355 3.376 20 30 CGEDMO C=CCn1ncc2ccc(N[C@@H]3CC[N@H+](CC)C[C@H]3C)cc21 ZINC000927069777 638837961 /nfs/dbraw/zinc/83/79/61/638837961.db2.gz CFZGQQMEUKWDCS-RHSMWYFYSA-N 1 1 298.434 3.365 20 30 CGEDMO C=CC[N@H+](C/C=C(\C)COC)Cc1cccs1 ZINC000929141162 638902410 /nfs/dbraw/zinc/90/24/10/638902410.db2.gz MZRWIYVNSSIGQU-NTUHNPAUSA-N 1 1 251.395 3.329 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000929533844 638931356 /nfs/dbraw/zinc/93/13/56/638931356.db2.gz XBMFUIQIVBHYQM-QGZVFWFLSA-N 1 1 294.402 3.209 20 30 CGEDMO COC(=O)C1([NH2+]CCCCC2(C#N)CCC2)CCCCC1 ZINC000929670809 638939433 /nfs/dbraw/zinc/93/94/33/638939433.db2.gz TUCRWKVAECOHEP-UHFFFAOYSA-N 1 1 292.423 3.316 20 30 CGEDMO C[C@@H]1[C@H](C)SCC[N@H+]1CC1CCC(C#N)CC1 ZINC000929675019 638940156 /nfs/dbraw/zinc/94/01/56/638940156.db2.gz ZWDAUXCETQWECF-KBHBFKLGSA-N 1 1 252.427 3.142 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](CC2CCC(C#N)CC2)CCS1 ZINC000929746643 638946341 /nfs/dbraw/zinc/94/63/41/638946341.db2.gz FLOVNCGAJYXWTD-NRXISQOPSA-N 1 1 266.454 3.390 20 30 CGEDMO C[C@@H]1C[C@@H]([N@@H+](C)CCCCC2(C#N)CCC2)CCN1C ZINC000929783725 638951203 /nfs/dbraw/zinc/95/12/03/638951203.db2.gz ZHJQCTCENBPQPC-CVEARBPZSA-N 1 1 277.456 3.265 20 30 CGEDMO CCOC[C@H]1CC[N@@H+](Cc2c(C)cc(C#N)cc2C)C1 ZINC000929782569 638951256 /nfs/dbraw/zinc/95/12/56/638951256.db2.gz WWSWXWIWJIWIBD-HNNXBMFYSA-N 1 1 272.392 3.034 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2cncc(C#N)c2)[C@H]1c1ccccc1 ZINC000929788439 638951704 /nfs/dbraw/zinc/95/17/04/638951704.db2.gz RONWRUYFTOLSOH-CXAGYDPISA-N 1 1 263.344 3.146 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cncc(C#N)c2)[C@H]1c1ccccc1 ZINC000929788439 638951706 /nfs/dbraw/zinc/95/17/06/638951706.db2.gz RONWRUYFTOLSOH-CXAGYDPISA-N 1 1 263.344 3.146 20 30 CGEDMO COCC[N@H+](Cc1ccc(C)o1)CC1CCC(C#N)CC1 ZINC000929838072 638956349 /nfs/dbraw/zinc/95/63/49/638956349.db2.gz SUPIUHHWPAYDOI-UHFFFAOYSA-N 1 1 290.407 3.366 20 30 CGEDMO CC(C)C[C@@H]1CCCC[N@H+]1Cc1cncc(C#N)c1 ZINC000930029419 638970239 /nfs/dbraw/zinc/97/02/39/638970239.db2.gz UZYLPKFEORYVPX-INIZCTEOSA-N 1 1 257.381 3.354 20 30 CGEDMO C[N@@H+](CCCCC1(C#N)CCC1)[C@H](CO)C(C)(C)C ZINC000930056635 638971299 /nfs/dbraw/zinc/97/12/99/638971299.db2.gz BVECEPZZIDAELQ-CQSZACIVSA-N 1 1 266.429 3.189 20 30 CGEDMO C=CCC[N@H+](C)Cc1cnc(Br)c(C)c1 ZINC000930253276 638986422 /nfs/dbraw/zinc/98/64/22/638986422.db2.gz PEOVDZXGZZXJDD-UHFFFAOYSA-N 1 1 269.186 3.160 20 30 CGEDMO C[C@@]1(O)CCC[N@@H+](CCCCC2(C#N)CCC2)CC1 ZINC000930280718 638988338 /nfs/dbraw/zinc/98/83/38/638988338.db2.gz ZXJYFSDCCRMGCI-OAHLLOKOSA-N 1 1 264.413 3.087 20 30 CGEDMO C#CCCCCCC[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000930293537 638988920 /nfs/dbraw/zinc/98/89/20/638988920.db2.gz XPGDMEFZXCAXFF-GOSISDBHSA-N 1 1 286.419 3.256 20 30 CGEDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1c(C)cc(C#N)cc1C ZINC000930454900 639002004 /nfs/dbraw/zinc/00/20/04/639002004.db2.gz ZUBKAVWDHFTZBF-BEIYGRMHSA-N 1 1 296.414 3.030 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCCc3occc3C2)CC1 ZINC000930506373 639013472 /nfs/dbraw/zinc/01/34/72/639013472.db2.gz NBQMHXHBIDALNG-UHFFFAOYSA-N 1 1 258.365 3.358 20 30 CGEDMO N#CC1(CCCC[N@@H+]2CC[C@H](O)CC23CCC3)CCC1 ZINC000930753436 639064542 /nfs/dbraw/zinc/06/45/42/639064542.db2.gz DKIXXWHDEQDOEO-HNNXBMFYSA-N 1 1 276.424 3.230 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000859444595 639142042 /nfs/dbraw/zinc/14/20/42/639142042.db2.gz ULHJBQFXGDSWFD-MRXNPFEDSA-N 1 1 270.376 3.225 20 30 CGEDMO C=CC[C@H]1CC[N@H+](C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000859445289 639142966 /nfs/dbraw/zinc/14/29/66/639142966.db2.gz DXPUBYJSJJPDGY-NHYWBVRUSA-N 1 1 283.774 3.411 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000859445288 639143243 /nfs/dbraw/zinc/14/32/43/639143243.db2.gz DXPUBYJSJJPDGY-IAQYHMDHSA-N 1 1 283.774 3.411 20 30 CGEDMO N#CC1CCC(C[N@H+]2CC[C@@H]3CSC[C@H]3C2)CC1 ZINC000931551359 639168522 /nfs/dbraw/zinc/16/85/22/639168522.db2.gz WWJJJFJMTLCJCU-NEXFUWMNSA-N 1 1 264.438 3.001 20 30 CGEDMO N#CCCCC[N@@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931914924 639229761 /nfs/dbraw/zinc/22/97/61/639229761.db2.gz DXXGDOHRYDFEGB-JTQLQIEISA-N 1 1 264.266 3.047 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)cc1 ZINC000931920599 639231267 /nfs/dbraw/zinc/23/12/67/639231267.db2.gz YUWNSXSTQVAVCD-ZDUSSCGKSA-N 1 1 298.283 3.425 20 30 CGEDMO N#CCc1cccc2c1CC[N@H+](C[C@@H]1CC1(Cl)Cl)C2 ZINC000860105172 639282658 /nfs/dbraw/zinc/28/26/58/639282658.db2.gz LQXJEWLTRSYHQG-ZDUSSCGKSA-N 1 1 295.213 3.305 20 30 CGEDMO CC(C)(C)C(=O)CC[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000860109609 639284544 /nfs/dbraw/zinc/28/45/44/639284544.db2.gz WFFROFAUEAXZMF-UHFFFAOYSA-N 1 1 284.403 3.116 20 30 CGEDMO N#CCCCC[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000932198485 639294022 /nfs/dbraw/zinc/29/40/22/639294022.db2.gz KWWSBJMVZWXETM-CYBMUJFWSA-N 1 1 263.410 3.091 20 30 CGEDMO C#CC[N@H+](Cc1coc(-c2ccc(F)c(F)c2)n1)C(C)C ZINC000932393753 639323865 /nfs/dbraw/zinc/32/38/65/639323865.db2.gz YYQXNHPVGALCCD-UHFFFAOYSA-N 1 1 290.313 3.463 20 30 CGEDMO C#CC[N@@H+](Cc1coc(-c2ccc(F)c(F)c2)n1)C(C)C ZINC000932393753 639323874 /nfs/dbraw/zinc/32/38/74/639323874.db2.gz YYQXNHPVGALCCD-UHFFFAOYSA-N 1 1 290.313 3.463 20 30 CGEDMO C#CC[N@H+](Cc1nc(-c2ccccc2F)no1)C(C)(C)C ZINC000932462960 639337684 /nfs/dbraw/zinc/33/76/84/639337684.db2.gz FFPUCCAKBAMSQG-UHFFFAOYSA-N 1 1 287.338 3.109 20 30 CGEDMO C#CC[N@@H+](Cc1nc(-c2ccccc2F)no1)C(C)(C)C ZINC000932462960 639337690 /nfs/dbraw/zinc/33/76/90/639337690.db2.gz FFPUCCAKBAMSQG-UHFFFAOYSA-N 1 1 287.338 3.109 20 30 CGEDMO N#Cc1ccc([C@H](O)C[N@H+]2C[C@H](C3CC3)C[C@@H]2C2CC2)cc1 ZINC000932894641 639394865 /nfs/dbraw/zinc/39/48/65/639394865.db2.gz ZGISQWRCPMNCPS-GUDVDZBRSA-N 1 1 296.414 3.102 20 30 CGEDMO C=C(CC)C[NH2+]C1(c2ncc(Br)cn2)CCC1 ZINC000933320440 639436895 /nfs/dbraw/zinc/43/68/95/639436895.db2.gz GTSQFZJFTLVTMN-UHFFFAOYSA-N 1 1 296.212 3.174 20 30 CGEDMO C=CC1(CC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC000933487579 639454240 /nfs/dbraw/zinc/45/42/40/639454240.db2.gz BXZOUGHBUZNTHX-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO N#Cc1ccc(C2CC[NH+](Cc3cscn3)CC2)cc1 ZINC000933614442 639469391 /nfs/dbraw/zinc/46/93/91/639469391.db2.gz PWRPLWHDWPBZOY-UHFFFAOYSA-N 1 1 283.400 3.394 20 30 CGEDMO CC(F)(F)CCC[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933632388 639472199 /nfs/dbraw/zinc/47/21/99/639472199.db2.gz RNWFUQDAMASXNE-OAHLLOKOSA-N 1 1 294.345 3.367 20 30 CGEDMO CC(F)(F)CCC[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933632388 639472201 /nfs/dbraw/zinc/47/22/01/639472201.db2.gz RNWFUQDAMASXNE-OAHLLOKOSA-N 1 1 294.345 3.367 20 30 CGEDMO Cc1cccc(C)c1C[N@H+](C)C[C@H](C#N)CCC#N ZINC000933766760 639487479 /nfs/dbraw/zinc/48/74/79/639487479.db2.gz DAMMPUFRCYGRLR-HNNXBMFYSA-N 1 1 255.365 3.179 20 30 CGEDMO Cc1cccc(C)c1C[N@@H+](C)C[C@H](C#N)CCC#N ZINC000933766760 639487484 /nfs/dbraw/zinc/48/74/84/639487484.db2.gz DAMMPUFRCYGRLR-HNNXBMFYSA-N 1 1 255.365 3.179 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCCSC[C@H]1C1CC1 ZINC000933914428 639506366 /nfs/dbraw/zinc/50/63/66/639506366.db2.gz CSEGUYPYLOPEIC-INIZCTEOSA-N 1 1 290.407 3.415 20 30 CGEDMO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000934121371 639545270 /nfs/dbraw/zinc/54/52/70/639545270.db2.gz LXQLBCUJMHUARD-CVEARBPZSA-N 1 1 272.392 3.097 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC000934465059 639614242 /nfs/dbraw/zinc/61/42/42/639614242.db2.gz CABAVQSTKBNLQT-UKRRQHHQSA-N 1 1 288.391 3.063 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1C[C@H](O)c1ccccc1C(F)(F)F ZINC000934471149 639614811 /nfs/dbraw/zinc/61/48/11/639614811.db2.gz RXPJIJMKWSGRCJ-RISCZKNCSA-N 1 1 285.309 3.389 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000934472053 639615306 /nfs/dbraw/zinc/61/53/06/639615306.db2.gz YITLEWDSWWVNHG-ZIAGYGMSSA-N 1 1 285.309 3.389 20 30 CGEDMO C#C[C@H]1CCCC[N@@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000934513848 639624831 /nfs/dbraw/zinc/62/48/31/639624831.db2.gz KZCRWWVGZUURBE-KRWDZBQOSA-N 1 1 277.371 3.131 20 30 CGEDMO C#C[C@H]1CCCC[N@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000934513848 639624839 /nfs/dbraw/zinc/62/48/39/639624839.db2.gz KZCRWWVGZUURBE-KRWDZBQOSA-N 1 1 277.371 3.131 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1cnc2c(c1)c(C)nn2C ZINC000934645112 639648546 /nfs/dbraw/zinc/64/85/46/639648546.db2.gz CGNJYZUEBCGTGR-UHFFFAOYSA-N 1 1 272.396 3.065 20 30 CGEDMO C=C(C)c1cccc(NC(=O)NC[C@H]2CC[N@H+](CC)C2)c1 ZINC000934874043 639694068 /nfs/dbraw/zinc/69/40/68/639694068.db2.gz JNLCUCDPJMASSU-CQSZACIVSA-N 1 1 287.407 3.183 20 30 CGEDMO C=C(C)c1cccc(NC(=O)NC[C@H]2CCC[N@H+](C)C2)c1 ZINC000934880166 639697670 /nfs/dbraw/zinc/69/76/70/639697670.db2.gz VLVKXICCTKVGHO-CQSZACIVSA-N 1 1 287.407 3.183 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000935011717 639731565 /nfs/dbraw/zinc/73/15/65/639731565.db2.gz KPSCIQYITRTKQC-INMHGKMJSA-N 1 1 290.451 3.064 20 30 CGEDMO CCCCC(N)=[NH+]OCc1cc(F)cc2cccnc21 ZINC000049066170 640080298 /nfs/dbraw/zinc/08/02/98/640080298.db2.gz UBKYJOWMJBCUGG-UHFFFAOYSA-N 1 1 275.327 3.353 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)Cc1ccc(F)nc1 ZINC000189286530 640183041 /nfs/dbraw/zinc/18/30/41/640183041.db2.gz WCTDZUAUUFQVGV-UHFFFAOYSA-N 1 1 262.353 3.470 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc(F)nc1 ZINC000189286530 640183046 /nfs/dbraw/zinc/18/30/46/640183046.db2.gz WCTDZUAUUFQVGV-UHFFFAOYSA-N 1 1 262.353 3.470 20 30 CGEDMO C=CCCC[N@@H+](C)Cn1c2ccc(Cl)cc2oc1=O ZINC000076664920 640207950 /nfs/dbraw/zinc/20/79/50/640207950.db2.gz OACJFGAITIJBFL-UHFFFAOYSA-N 1 1 280.755 3.103 20 30 CGEDMO C=CCCC[N@H+](C)Cn1c2ccc(Cl)cc2oc1=O ZINC000076664920 640207954 /nfs/dbraw/zinc/20/79/54/640207954.db2.gz OACJFGAITIJBFL-UHFFFAOYSA-N 1 1 280.755 3.103 20 30 CGEDMO C=CCOc1cccc(C[N@H+](C)Cc2c(C)noc2C)c1 ZINC000194820916 640555192 /nfs/dbraw/zinc/55/51/92/640555192.db2.gz UVXBRSLZVSFUCS-UHFFFAOYSA-N 1 1 286.375 3.488 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](C)Cc2c(C)noc2C)c1 ZINC000194820916 640555193 /nfs/dbraw/zinc/55/51/93/640555193.db2.gz UVXBRSLZVSFUCS-UHFFFAOYSA-N 1 1 286.375 3.488 20 30 CGEDMO CCCCCCC[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000245996544 640652039 /nfs/dbraw/zinc/65/20/39/640652039.db2.gz JFWNRODRSAMPBW-JKSUJKDBSA-N 1 1 295.423 3.374 20 30 CGEDMO CCCCCCC[N@H+]1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000245996544 640652041 /nfs/dbraw/zinc/65/20/41/640652041.db2.gz JFWNRODRSAMPBW-JKSUJKDBSA-N 1 1 295.423 3.374 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2ccccc2C)C1 ZINC001006633900 640936907 /nfs/dbraw/zinc/93/69/07/640936907.db2.gz WWPDUMXXPWMHLF-INIZCTEOSA-N 1 1 286.419 3.155 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001007623759 640943423 /nfs/dbraw/zinc/94/34/23/640943423.db2.gz YUQNUYVBZHELEF-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C23CCC(CC2)C3)C1 ZINC001007648928 640944263 /nfs/dbraw/zinc/94/42/63/640944263.db2.gz VMTCBKPYHVSXKR-UPTPFMHGSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001007909050 640945308 /nfs/dbraw/zinc/94/53/08/640945308.db2.gz UFHHUQPANIUYIL-ARFHVFGLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)c2ccsc2)C1 ZINC001008496419 640951736 /nfs/dbraw/zinc/95/17/36/640951736.db2.gz CXSASJNQNKNTCZ-ZFWWWQNUSA-N 1 1 292.448 3.008 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC001009405545 640958718 /nfs/dbraw/zinc/95/87/18/640958718.db2.gz YIJUAULONYZFMX-QGZVFWFLSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC001009323927 640959035 /nfs/dbraw/zinc/95/90/35/640959035.db2.gz DLGPIZZFTMVIIZ-QGZVFWFLSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2cccc(C)c2C)C1 ZINC001009383098 640959497 /nfs/dbraw/zinc/95/94/97/640959497.db2.gz DYHHXPSBDPHIGE-INIZCTEOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](NC(=O)c2cc3c(cccc3C)o2)C1 ZINC001009655328 640962052 /nfs/dbraw/zinc/96/20/52/640962052.db2.gz DOFYELNOQRWXAF-AWEZNQCLSA-N 1 1 298.386 3.121 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cc3c(cccc3C)o2)C1 ZINC001009655328 640962055 /nfs/dbraw/zinc/96/20/55/640962055.db2.gz DOFYELNOQRWXAF-AWEZNQCLSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2csc(C)c2C)C1 ZINC001014560196 640974235 /nfs/dbraw/zinc/97/42/35/640974235.db2.gz HANJBYCXTZVJOI-AWEZNQCLSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)c2ccc(C3CCC3)cc2)C1 ZINC001014639534 640975098 /nfs/dbraw/zinc/97/50/98/640975098.db2.gz LZYPXKIDPZCNHW-SFHVURJKSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cccc(C)c2Cl)C1 ZINC001015870388 640986877 /nfs/dbraw/zinc/98/68/77/640986877.db2.gz FSSWRPJUJANEPU-ZDUSSCGKSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)c2cccc(C3CCC3)c2)C1 ZINC001015995611 640989176 /nfs/dbraw/zinc/98/91/76/640989176.db2.gz XLNRPBBXTUSXKQ-GOSISDBHSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2c(C)csc2Cl)C1 ZINC001016109191 640991033 /nfs/dbraw/zinc/99/10/33/640991033.db2.gz AUBLIKASGCJVKS-NSHDSACASA-N 1 1 298.839 3.090 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CCC[C@@H]1C ZINC001017904261 641018350 /nfs/dbraw/zinc/01/83/50/641018350.db2.gz HMIXARVBTWBIOO-CUSZFKRNSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CCC[C@@H]1C ZINC001017904261 641018354 /nfs/dbraw/zinc/01/83/54/641018354.db2.gz HMIXARVBTWBIOO-CUSZFKRNSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)cc1 ZINC001018210691 641021368 /nfs/dbraw/zinc/02/13/68/641021368.db2.gz OWUQXQQCPUANOG-HDICACEKSA-N 1 1 298.430 3.250 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1cccc2[nH]ccc21 ZINC001155400920 805577570 /nfs/dbraw/zinc/57/75/70/805577570.db2.gz OOKPDDUYYQMPBB-CQSZACIVSA-N 1 1 299.418 3.184 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(Cl)c(F)c1 ZINC001155435539 805581657 /nfs/dbraw/zinc/58/16/57/805581657.db2.gz UBBMCYJGGZTSDB-LLVKDONJSA-N 1 1 298.789 3.105 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)CC=C ZINC001155490163 805586497 /nfs/dbraw/zinc/58/64/97/805586497.db2.gz XJBGFQAQMDGQMY-OAHLLOKOSA-N 1 1 280.456 3.382 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)CC1CCCC1 ZINC001155607575 805597262 /nfs/dbraw/zinc/59/72/62/805597262.db2.gz QZAPRCBDIJPQSA-WBVHZDCISA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)c1ccc(C)o1 ZINC001155704196 805605007 /nfs/dbraw/zinc/60/50/07/805605007.db2.gz PVMXQLWVSUNQJG-UKRRQHHQSA-N 1 1 292.423 3.094 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)CC[C@@H](C)CC ZINC001155989115 805637703 /nfs/dbraw/zinc/63/77/03/805637703.db2.gz RUXXZXPKXFZLAQ-GXTWGEPZSA-N 1 1 288.863 3.392 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)CC[C@@H](C)CC ZINC001155989115 805637699 /nfs/dbraw/zinc/63/76/99/805637699.db2.gz RUXXZXPKXFZLAQ-GXTWGEPZSA-N 1 1 288.863 3.392 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](CCCCC)C(C)C ZINC001156277475 805669868 /nfs/dbraw/zinc/66/98/68/805669868.db2.gz VORHELXPGBDBCR-IAGOWNOFSA-N 1 1 294.483 3.299 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)c1ccc(C)s1 ZINC001156366225 805677173 /nfs/dbraw/zinc/67/71/73/805677173.db2.gz BUBPDJXHQOSXML-OCCSQVGLSA-N 1 1 294.464 3.173 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](F)CCCCCC ZINC001156403696 805684711 /nfs/dbraw/zinc/68/47/11/805684711.db2.gz ODOPSYHHWTWKBN-CVEARBPZSA-N 1 1 298.446 3.145 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1cccc(Cl)c1 ZINC001156561114 805714225 /nfs/dbraw/zinc/71/42/25/805714225.db2.gz QRHGRPCEGQPDDE-CYBMUJFWSA-N 1 1 294.826 3.356 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCCNc1cc(Cl)ncc1C#N ZINC001156929677 805756749 /nfs/dbraw/zinc/75/67/49/805756749.db2.gz ZMQTVLAHUCSMDM-LBPRGKRZSA-N 1 1 292.814 3.283 20 30 CGEDMO C=C(C)C[N@@H+](CC)C[C@@H](O)COc1ccc(C(C)C)cc1 ZINC001250757779 805772623 /nfs/dbraw/zinc/77/26/23/805772623.db2.gz GUOBIVSASIZAFB-QGZVFWFLSA-N 1 1 291.435 3.448 20 30 CGEDMO CCCCCCC[N@@H+](C)C[C@@H](O)COc1cccc(F)c1 ZINC001250799553 805777785 /nfs/dbraw/zinc/77/77/85/805777785.db2.gz BCTSEZFLGJWDLH-MRXNPFEDSA-N 1 1 297.414 3.468 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)C1CCC1 ZINC001157416997 805808375 /nfs/dbraw/zinc/80/83/75/805808375.db2.gz PKQCELYGHFPZQR-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1cc(C)oc1C ZINC001157529313 805827579 /nfs/dbraw/zinc/82/75/79/805827579.db2.gz WMGFTAHJPAXDQB-OAHLLOKOSA-N 1 1 290.407 3.009 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)C1CC1 ZINC001157761824 805863748 /nfs/dbraw/zinc/86/37/48/805863748.db2.gz DIHRVEKWBHEAQU-DZGCQCFKSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)C1CC1 ZINC001157761824 805863756 /nfs/dbraw/zinc/86/37/56/805863756.db2.gz DIHRVEKWBHEAQU-DZGCQCFKSA-N 1 1 298.858 3.098 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)C(F)=C1CCCC1 ZINC001157802368 805873487 /nfs/dbraw/zinc/87/34/87/805873487.db2.gz BDZLAKBLWATMJF-OAHLLOKOSA-N 1 1 294.414 3.283 20 30 CGEDMO C#CCCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCC=C ZINC001157856316 805888527 /nfs/dbraw/zinc/88/85/27/805888527.db2.gz HIZTXHSAOIUMKB-QGZVFWFLSA-N 1 1 290.451 3.069 20 30 CGEDMO C[NH+](C)Cc1ccc2nc(-c3cccc(C#N)c3F)[nH]c2c1 ZINC001251843329 805943526 /nfs/dbraw/zinc/94/35/26/805943526.db2.gz XLYZNMCQFGYZLX-UHFFFAOYSA-N 1 1 294.333 3.302 20 30 CGEDMO C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[C@@H](C)CC ZINC001158640913 805979611 /nfs/dbraw/zinc/97/96/11/805979611.db2.gz ZMZSVSJATBACCY-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO Cc1[nH+]c(NC23CCC(C#N)(CC2)CC3)ccc1CC#N ZINC001158789389 806003566 /nfs/dbraw/zinc/00/35/66/806003566.db2.gz XAZHRDGMBAVWPV-UHFFFAOYSA-N 1 1 280.375 3.485 20 30 CGEDMO CCCCCCCC[C@H](O)C[NH2+]Cc1cc(C)on1 ZINC001252121174 806007089 /nfs/dbraw/zinc/00/70/89/806007089.db2.gz DEVXWMRLOHWFOG-HNNXBMFYSA-N 1 1 268.401 3.184 20 30 CGEDMO CCCCCCCC[C@@H](O)C[NH2+]Cc1cc(C)on1 ZINC001252121176 806007343 /nfs/dbraw/zinc/00/73/43/806007343.db2.gz DEVXWMRLOHWFOG-OAHLLOKOSA-N 1 1 268.401 3.184 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+](C)C1CCOCC1 ZINC001252121479 806007900 /nfs/dbraw/zinc/00/79/00/806007900.db2.gz GPLKWFFMKXMPHX-MRXNPFEDSA-N 1 1 271.445 3.209 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@H]1COC ZINC001252121095 806008166 /nfs/dbraw/zinc/00/81/66/806008166.db2.gz CELHAYOWIZBIBW-JKSUJKDBSA-N 1 1 271.445 3.209 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CC[C@@H](C)[C@](C)(O)C1 ZINC001252122945 806008869 /nfs/dbraw/zinc/00/88/69/806008869.db2.gz AQWQYPVWAYBXDX-BRWVUGGUSA-N 1 1 285.472 3.191 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+](CCCO)C(C)C ZINC001252129946 806015440 /nfs/dbraw/zinc/01/54/40/806015440.db2.gz HOALZFHUQDQWSF-INIZCTEOSA-N 1 1 273.461 3.191 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@]12CCOC2 ZINC001252130204 806016097 /nfs/dbraw/zinc/01/60/97/806016097.db2.gz NNPHEGWTEDCZMC-DLBZAZTESA-N 1 1 283.456 3.353 20 30 CGEDMO CS[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc(OCC#N)cc2)C1 ZINC001252280434 806035608 /nfs/dbraw/zinc/03/56/08/806035608.db2.gz QIEHDCHAZNKEMO-GOEBONIOSA-N 1 1 290.432 3.305 20 30 CGEDMO C=C[C@@](C)(O)C[N@@H+]1CCC[C@@H]1c1ccc(OCC)cc1 ZINC001252555399 806064503 /nfs/dbraw/zinc/06/45/03/806064503.db2.gz UDSRDPKDQYPWJE-IAGOWNOFSA-N 1 1 275.392 3.159 20 30 CGEDMO C=C[C@](C)(O)C[N@@H+]1CCC[C@@H]1c1ccccc1SC ZINC001252556366 806065105 /nfs/dbraw/zinc/06/51/05/806065105.db2.gz CRLFNWHZDAJSDT-ZBFHGGJFSA-N 1 1 277.433 3.482 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+]1CCC[C@H](Oc2ccc(Cl)cc2)C1 ZINC001252560424 806065418 /nfs/dbraw/zinc/06/54/18/806065418.db2.gz ROMLJEADFHPMSD-JKSUJKDBSA-N 1 1 295.810 3.120 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CC[C@@H](c2ccccc2Cl)C1 ZINC001252599886 806081524 /nfs/dbraw/zinc/08/15/24/806081524.db2.gz NDEVTGLICJIVQO-KGLIPLIRSA-N 1 1 279.811 3.456 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)Cc1c[nH]c2ccc(C)cc12 ZINC001252603434 806082259 /nfs/dbraw/zinc/08/22/59/806082259.db2.gz VNJGJMMXRBHCCK-OAHLLOKOSA-N 1 1 272.392 3.235 20 30 CGEDMO CCCCCCC[N@@H+](CC)C[C@H](O)COCc1ccco1 ZINC001252637368 806095868 /nfs/dbraw/zinc/09/58/68/806095868.db2.gz FWQVSGHCXQGOIS-INIZCTEOSA-N 1 1 297.439 3.449 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)/C=C(\C)C2CC2)CC1 ZINC001159444578 806103903 /nfs/dbraw/zinc/10/39/03/806103903.db2.gz CRZCQASHOPXFIZ-NTCAYCPXSA-N 1 1 288.435 3.057 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)C=C2CCCCC2)CC1 ZINC001159458115 806104733 /nfs/dbraw/zinc/10/47/33/806104733.db2.gz NPLUQAZGNREQLU-UHFFFAOYSA-N 1 1 288.435 3.201 20 30 CGEDMO FC(F)(F)C(F)(F)C(F)(F)C[NH2+]C1CCCC1 ZINC001257342207 807116188 /nfs/dbraw/zinc/11/61/88/807116188.db2.gz RVMBZPZMZVGROM-UHFFFAOYSA-N 1 1 267.188 3.352 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)C[C@@H](C)C(C)C)CC1 ZINC001159549282 806121260 /nfs/dbraw/zinc/12/12/60/806121260.db2.gz GSJRMGNPLBWAHB-MRXNPFEDSA-N 1 1 292.467 3.383 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[NH2+]CCc1ccn[nH]1 ZINC001252987696 806148186 /nfs/dbraw/zinc/14/81/86/806148186.db2.gz VSRPSCIOQDZNAZ-QGZVFWFLSA-N 1 1 295.471 3.434 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)C(F)=C(C)C)CC1 ZINC001159767837 806169013 /nfs/dbraw/zinc/16/90/13/806169013.db2.gz OOSOODJXNNPVDN-UHFFFAOYSA-N 1 1 294.414 3.354 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001253234849 806188390 /nfs/dbraw/zinc/18/83/90/806188390.db2.gz GDKUDPFQDZGWNB-XUWVNRHRSA-N 1 1 269.404 3.164 20 30 CGEDMO CCCCCCC[C@@H](C)[NH2+]C[C@H](O)CN(CC)CC ZINC001253214461 806182405 /nfs/dbraw/zinc/18/24/05/806182405.db2.gz QXVIYMQYDRPDSE-CVEARBPZSA-N 1 1 272.477 3.028 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C(C)=O ZINC001253238101 806189020 /nfs/dbraw/zinc/18/90/20/806189020.db2.gz AVBCNFDNPWTWFQ-IAGOWNOFSA-N 1 1 281.440 3.317 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCC[C@@]12CCOC2 ZINC001253240279 806190608 /nfs/dbraw/zinc/19/06/08/806190608.db2.gz IPEWTLIDLNRQGC-IRXDYDNUSA-N 1 1 281.440 3.129 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CCNC(=O)C2(C)CCC2)CC1 ZINC001160903567 806316677 /nfs/dbraw/zinc/31/66/77/806316677.db2.gz JCYREJSMRBMMRY-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CC[N@H+](C)C[C@H](O)C(c1ccccc1)c1ccccc1 ZINC001253928007 806319979 /nfs/dbraw/zinc/31/99/79/806319979.db2.gz RITUZQURLCMMCQ-SFHVURJKSA-N 1 1 281.399 3.297 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@]2(C)C=CCC2)CC1 ZINC001160915331 806321700 /nfs/dbraw/zinc/32/17/00/806321700.db2.gz UPLCYTPVKIEGHK-SFHVURJKSA-N 1 1 288.435 3.057 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1cccc(OCC(C)C)n1 ZINC001160954465 806327917 /nfs/dbraw/zinc/32/79/17/806327917.db2.gz VBXZSDSXMYVQIH-HNNXBMFYSA-N 1 1 289.423 3.179 20 30 CGEDMO CC#CCCCC(=O)NCCC1=CC[N@@H+](CCCC)CC1 ZINC001160954027 806328603 /nfs/dbraw/zinc/32/86/03/806328603.db2.gz OMYXQSNNXCZUMX-UHFFFAOYSA-N 1 1 290.451 3.119 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NCCC1=CC[N@@H+](CCCF)CC1 ZINC001160968873 806330259 /nfs/dbraw/zinc/33/02/59/806330259.db2.gz ZEATVFITKPMBEE-HNNXBMFYSA-N 1 1 296.430 3.087 20 30 CGEDMO C=C[C@H](CC)CC(=O)NCCC1=CC[N@@H+](CC2CC2)CC1 ZINC001160992418 806334546 /nfs/dbraw/zinc/33/45/46/806334546.db2.gz XQQHIXCLPHGNFE-OAHLLOKOSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)C2(C)CC=CC2)CC1 ZINC001161106814 806351220 /nfs/dbraw/zinc/35/12/20/806351220.db2.gz MGJQCHPAMFCUCN-UHFFFAOYSA-N 1 1 288.435 3.057 20 30 CGEDMO Cc1ccc(CC#N)c(N[C@H]2CC[N@@H+](CC3CCCC3)C2)n1 ZINC001161186965 806356917 /nfs/dbraw/zinc/35/69/17/806356917.db2.gz HTUZEZLRUGHOJU-KRWDZBQOSA-N 1 1 298.434 3.133 20 30 CGEDMO Cc1ccc(CC#N)c(NC[C@H]2CCOC(C)(C)C2)[nH+]1 ZINC001161429731 806378894 /nfs/dbraw/zinc/37/88/94/806378894.db2.gz YLJXCARKSBVBST-ZDUSSCGKSA-N 1 1 273.380 3.073 20 30 CGEDMO C=CCOC(=O)[C@H](CC(C)C)[NH2+]C1CCC2(CC2)CC1 ZINC001254434938 806397636 /nfs/dbraw/zinc/39/76/36/806397636.db2.gz XXUQTKRNURWDDQ-HNNXBMFYSA-N 1 1 279.424 3.443 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](OCc3ccccc3)C2)C1 ZINC001254670975 806480867 /nfs/dbraw/zinc/48/08/67/806480867.db2.gz NISRWIUWCVKBBM-SQNIBIBYSA-N 1 1 284.403 3.360 20 30 CGEDMO COc1ccc([C@H](C)[N@@H+](C)[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC001254670741 806481166 /nfs/dbraw/zinc/48/11/66/806481166.db2.gz MGISHMQALCGTSU-GZBFAFLISA-N 1 1 258.365 3.380 20 30 CGEDMO C=C[C@H](C(=O)NCCC1=CC[N@@H+](CC)CC1)c1ccccc1 ZINC001161925060 806484062 /nfs/dbraw/zinc/48/40/62/806484062.db2.gz VNRGYLFQTWLKOP-SFHVURJKSA-N 1 1 298.430 3.115 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)C1 ZINC001254674405 806483111 /nfs/dbraw/zinc/48/31/11/806483111.db2.gz YNWKNCWRJGZRJF-KBXIAJHMSA-N 1 1 252.361 3.265 20 30 CGEDMO C=CCc1cc(C)c[nH+]c1NCCC1CCOCC1 ZINC001162218233 806530634 /nfs/dbraw/zinc/53/06/34/806530634.db2.gz QKFCYXCAJGQWOT-UHFFFAOYSA-N 1 1 260.381 3.347 20 30 CGEDMO CC(C)C[C@](C)(C#N)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001255105933 806545772 /nfs/dbraw/zinc/54/57/72/806545772.db2.gz HVGXOFPRYUZCMS-ZWKOTPCHSA-N 1 1 285.435 3.179 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1cccc(N2CCCCC2)c1 ZINC001255153419 806555565 /nfs/dbraw/zinc/55/55/65/806555565.db2.gz VYMZVBZGIWVQDY-INIZCTEOSA-N 1 1 271.408 3.459 20 30 CGEDMO CC[C@H](CC#N)N1CC[N@H+](Cc2ccc(F)cc2)C[C@H]1C ZINC001255163724 806561314 /nfs/dbraw/zinc/56/13/14/806561314.db2.gz DEHAERGDNBODLH-RHSMWYFYSA-N 1 1 289.398 3.024 20 30 CGEDMO CC[C@H](CC#N)N1CC[N@@H+](Cc2ccc(F)cc2)C[C@H]1C ZINC001255163724 806561319 /nfs/dbraw/zinc/56/13/19/806561319.db2.gz DEHAERGDNBODLH-RHSMWYFYSA-N 1 1 289.398 3.024 20 30 CGEDMO CC[C@@H](CC#N)[N@@H+]1CCC[C@H](OCc2ccccc2)C1 ZINC001255175221 806569023 /nfs/dbraw/zinc/56/90/23/806569023.db2.gz NVEBOVRASOMRCL-IRXDYDNUSA-N 1 1 272.392 3.360 20 30 CGEDMO CC[C@@H](CC#N)[N@H+]1CCC[C@H](OCc2ccccc2)C1 ZINC001255175221 806569027 /nfs/dbraw/zinc/56/90/27/806569027.db2.gz NVEBOVRASOMRCL-IRXDYDNUSA-N 1 1 272.392 3.360 20 30 CGEDMO CC[C@@H](CC#N)[N@@H+]1CCC[C@@H]1c1cccc(C(=O)OC)c1 ZINC001255177809 806570194 /nfs/dbraw/zinc/57/01/94/806570194.db2.gz WZTCSEMBCJQHKU-JKSUJKDBSA-N 1 1 286.375 3.302 20 30 CGEDMO CC[C@@H](CC#N)[N@H+]1CCC[C@@H]1c1cccc(C(=O)OC)c1 ZINC001255177809 806570201 /nfs/dbraw/zinc/57/02/01/806570201.db2.gz WZTCSEMBCJQHKU-JKSUJKDBSA-N 1 1 286.375 3.302 20 30 CGEDMO N#C[C@@H]1CCCN([C@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255404032 806635796 /nfs/dbraw/zinc/63/57/96/806635796.db2.gz IKWQJMXJRXVZNZ-OALUTQOASA-N 1 1 297.446 3.277 20 30 CGEDMO N#CCC[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000425970533 799603660 /nfs/dbraw/zinc/60/36/60/799603660.db2.gz GUPSNMIKFXMHDD-UHFFFAOYSA-N 1 1 284.334 3.408 20 30 CGEDMO C[N@H+]1CC[C@H](c2ccc(NC3=CC(=O)CCC3)cc2)C1 ZINC001163468338 806767028 /nfs/dbraw/zinc/76/70/28/806767028.db2.gz PCTALPJAWVEVJI-AWEZNQCLSA-N 1 1 270.376 3.155 20 30 CGEDMO CO[C@H]1CC[C@H](C)[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000687213073 799736877 /nfs/dbraw/zinc/73/68/77/799736877.db2.gz SYINKKMRFYVEEE-FZMZJTMJSA-N 1 1 278.783 3.211 20 30 CGEDMO C=C(Cl)C[NH2+][C@H](C)c1cncc(Br)c1 ZINC000695209555 799828525 /nfs/dbraw/zinc/82/85/25/799828525.db2.gz VMGOZGHIYUWPLW-MRVPVSSYSA-N 1 1 275.577 3.247 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(C)(C)C ZINC000702294463 799907535 /nfs/dbraw/zinc/90/75/35/799907535.db2.gz NKFLJRATNZNYEA-CYBMUJFWSA-N 1 1 280.755 3.386 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1cccc(O)c1Br)C(C)(C)C ZINC000705337512 799948488 /nfs/dbraw/zinc/94/84/88/799948488.db2.gz SYIMFWXGKKLHQT-GFCCVEGCSA-N 1 1 296.208 3.292 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)c1nc2ccccc2s1 ZINC001163605112 806790747 /nfs/dbraw/zinc/79/07/47/806790747.db2.gz HZZKCIYGGFEEEG-UHFFFAOYSA-N 1 1 275.421 3.240 20 30 CGEDMO COc1cc(C[N@@H+](C)[C@H]2CC[C@H](SC)C2)ccc1C#N ZINC000708305705 799985732 /nfs/dbraw/zinc/98/57/32/799985732.db2.gz YDBOMCQGBDZVAQ-GJZGRUSLSA-N 1 1 290.432 3.283 20 30 CGEDMO C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000708724766 799993957 /nfs/dbraw/zinc/99/39/57/799993957.db2.gz UBRMACPHIUWQBU-CYBMUJFWSA-N 1 1 286.272 3.472 20 30 CGEDMO C=C(Br)C[N@H+]1CC[C@@H](C2CCCC2)C1 ZINC000708830833 799995243 /nfs/dbraw/zinc/99/52/43/799995243.db2.gz APSRPKDWWDIHHU-GFCCVEGCSA-N 1 1 258.203 3.407 20 30 CGEDMO C[C@@H]1C[C@H](C[N@@H+]2Cc3cccc(C#N)c3C2)C[C@H](C)O1 ZINC000724863474 800368632 /nfs/dbraw/zinc/36/86/32/800368632.db2.gz OFVVBKRFMGWIIQ-WDNDVIMCSA-N 1 1 270.376 3.077 20 30 CGEDMO C[C@@H]1C[C@H](C[N@H+]2Cc3cccc(C#N)c3C2)C[C@H](C)O1 ZINC000724863474 800368639 /nfs/dbraw/zinc/36/86/39/800368639.db2.gz OFVVBKRFMGWIIQ-WDNDVIMCSA-N 1 1 270.376 3.077 20 30 CGEDMO C[C@@H](CNc1nc(Cl)c(C#N)s1)[N@H+]1CCC[C@H](C)C1 ZINC000804350355 800397864 /nfs/dbraw/zinc/39/78/64/800397864.db2.gz ZPBHGOPKOLSOAH-UWVGGRQHSA-N 1 1 298.843 3.200 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000809539706 800442863 /nfs/dbraw/zinc/44/28/63/800442863.db2.gz YECXOSJIIZQOOF-QGZVFWFLSA-N 1 1 250.345 3.333 20 30 CGEDMO C#Cc1ccc(C[N@@H+](CCOC)Cc2ccccc2)cc1 ZINC000809537694 800442905 /nfs/dbraw/zinc/44/29/05/800442905.db2.gz BQSJOTNPGFBXNQ-UHFFFAOYSA-N 1 1 279.383 3.317 20 30 CGEDMO COc1cccc(C[C@@H](C)[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC001256164422 806840918 /nfs/dbraw/zinc/84/09/18/806840918.db2.gz LYANYHGSXQQZCR-CABCVRRESA-N 1 1 272.392 3.252 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C(C)C)cc2)[C@@H]1C ZINC000994297638 800696227 /nfs/dbraw/zinc/69/62/27/800696227.db2.gz LWHAAWLVUFWHGH-YJBOKZPZSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H]2CCC[N@H+](CCCC)C2)CC1 ZINC001023572556 800711905 /nfs/dbraw/zinc/71/19/05/800711905.db2.gz HNCPFLYQMUSYRY-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001023714949 800714757 /nfs/dbraw/zinc/71/47/57/800714757.db2.gz YEIZQSQZBYQDAE-ULQDDVLXSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C3CC3)cc2)C1 ZINC001023759471 800714820 /nfs/dbraw/zinc/71/48/20/800714820.db2.gz GBINZFAWGOSXAV-HNNXBMFYSA-N 1 1 298.430 3.192 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)C2CCC=CCC2)C1 ZINC001023752586 800715126 /nfs/dbraw/zinc/71/51/26/800715126.db2.gz XTRAJLOMYLPBAV-MRXNPFEDSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(CC)o1 ZINC001024511871 800730496 /nfs/dbraw/zinc/73/04/96/800730496.db2.gz MXEBPMUFAPBSQE-CQSZACIVSA-N 1 1 290.407 3.002 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)C12CCC(CC1)C2 ZINC001024514502 800730697 /nfs/dbraw/zinc/73/06/97/800730697.db2.gz ZRNNTERYGONSEC-UPTPFMHGSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC001024607719 800732127 /nfs/dbraw/zinc/73/21/27/800732127.db2.gz HVFGCUAAOVWBKP-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCC1CC1 ZINC001025214088 800750140 /nfs/dbraw/zinc/75/01/40/800750140.db2.gz UDSGNMTYRYLZBY-IRXDYDNUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1(C)CC1 ZINC001025234478 800752106 /nfs/dbraw/zinc/75/21/06/800752106.db2.gz IEZXZWLUTDRCJS-JKSUJKDBSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1 ZINC001027293402 800789488 /nfs/dbraw/zinc/78/94/88/800789488.db2.gz CAOURBWPVUGHHP-LSDHHAIUSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1 ZINC001027293402 800789494 /nfs/dbraw/zinc/78/94/94/800789494.db2.gz CAOURBWPVUGHHP-LSDHHAIUSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]([N@H+](C)CCC)C1 ZINC001027425612 800797198 /nfs/dbraw/zinc/79/71/98/800797198.db2.gz JTMVSFBKWFYHRC-ZDUSSCGKSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@H]([N@H+](C)CC(C)C)C1 ZINC001027519419 800799144 /nfs/dbraw/zinc/79/91/44/800799144.db2.gz MUNTXKUBWAGTJQ-HNNXBMFYSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)C(C)(C)C)C1 ZINC001027527369 800800297 /nfs/dbraw/zinc/80/02/97/800800297.db2.gz CPQWOUBQYJSJLI-AWEZNQCLSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC2(C)C)C1 ZINC001027532600 800801885 /nfs/dbraw/zinc/80/18/85/800801885.db2.gz CSTWDXRRYLFOQB-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001027563299 800802980 /nfs/dbraw/zinc/80/29/80/800802980.db2.gz IJMKXOJQWPHLMZ-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]([N@@H+](C)CC(=C)C)C1 ZINC001027559961 800803119 /nfs/dbraw/zinc/80/31/19/800803119.db2.gz LKSGFXWVMPBGEG-NVXWUHKLSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(C)c(C)c2)C1 ZINC001027667268 800808529 /nfs/dbraw/zinc/80/85/29/800808529.db2.gz BDVXOQBZCHSRNN-QGZVFWFLSA-N 1 1 286.419 3.026 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001027655606 800810010 /nfs/dbraw/zinc/81/00/10/800810010.db2.gz YLADQROSQDZQIW-ULQDDVLXSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(Cl)s2)C1 ZINC001027670987 800812283 /nfs/dbraw/zinc/81/22/83/800812283.db2.gz QCOURLIFWWWCSD-LLVKDONJSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2coc3ccccc32)C1 ZINC001027702445 800813111 /nfs/dbraw/zinc/81/31/11/800813111.db2.gz DCYMWGDFGPSEAW-CQSZACIVSA-N 1 1 298.386 3.155 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1c(C)coc1C ZINC001027863071 800823791 /nfs/dbraw/zinc/82/37/91/800823791.db2.gz BYYGSANLAGWARS-OAHLLOKOSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1scc(C)c1Cl ZINC001027905500 800826521 /nfs/dbraw/zinc/82/65/21/800826521.db2.gz YXCSHWWYPYELGU-LLVKDONJSA-N 1 1 298.839 3.090 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)cs1 ZINC001028180769 800835296 /nfs/dbraw/zinc/83/52/96/800835296.db2.gz FYNKDDXXGJIHRJ-LBPRGKRZSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(C2CCC2)c1 ZINC001028257968 800838466 /nfs/dbraw/zinc/83/84/66/800838466.db2.gz JXSDFUYUDORZHK-SFHVURJKSA-N 1 1 298.430 3.334 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1sccc1CC ZINC001028332616 800841503 /nfs/dbraw/zinc/84/15/03/800841503.db2.gz ZEHYPVXVPWUIEI-CQSZACIVSA-N 1 1 292.448 3.081 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC=CCCC2)C1 ZINC001028625251 800850039 /nfs/dbraw/zinc/85/00/39/800850039.db2.gz OUUFDRWAOPNJKX-SJORKVTESA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](CNC(=O)c2sccc2Cl)C1 ZINC001028557017 800850692 /nfs/dbraw/zinc/85/06/92/800850692.db2.gz ARHYVCSSOVZAAO-NSHDSACASA-N 1 1 298.839 3.029 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001028563194 800851073 /nfs/dbraw/zinc/85/10/73/800851073.db2.gz YWQYNRFXFNYAJZ-IAGOWNOFSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H]2CC[N@H+](C[C@H](C)CC)C2)CC1 ZINC001028779134 800852999 /nfs/dbraw/zinc/85/29/99/800852999.db2.gz VLIZYPJGWQWRQM-ZBFHGGJFSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001029009038 800857807 /nfs/dbraw/zinc/85/78/07/800857807.db2.gz MAWGKVOWBGLWON-JKSUJKDBSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC)c1ccccc1 ZINC001029593684 800871585 /nfs/dbraw/zinc/87/15/85/800871585.db2.gz FSSXXTZERJBLFC-FGTMMUONSA-N 1 1 298.430 3.041 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C)c1C ZINC001032761272 800934317 /nfs/dbraw/zinc/93/43/17/800934317.db2.gz MSGVIEIPQBIPHK-IRXDYDNUSA-N 1 1 298.430 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)c1ccccc1 ZINC001032766346 800936410 /nfs/dbraw/zinc/93/64/10/800936410.db2.gz BVAYENCKKVLXGQ-SZMVWBNQSA-N 1 1 298.430 3.041 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)c1ccccc1 ZINC001032766722 800937194 /nfs/dbraw/zinc/93/71/94/800937194.db2.gz NQOYNPFBVFOTME-SZMVWBNQSA-N 1 1 298.430 3.041 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001033101596 800952621 /nfs/dbraw/zinc/95/26/21/800952621.db2.gz HHIAXVPCYSJBQC-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)C2CCCCCCC2)C1 ZINC001033252588 800955103 /nfs/dbraw/zinc/95/51/03/800955103.db2.gz GSSOACZHRWWRTL-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)C2(C3CCC3)CCC2)C1 ZINC001033299343 800958181 /nfs/dbraw/zinc/95/81/81/800958181.db2.gz CCRYMBZYGARUQK-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC23CCCC3)C1 ZINC001033561351 800968292 /nfs/dbraw/zinc/96/82/92/800968292.db2.gz KNGMWTQVVPTQCH-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001033598707 800968938 /nfs/dbraw/zinc/96/89/38/800968938.db2.gz GUPWHQJQBDXMJM-ULQDDVLXSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2Cl)C1 ZINC001033605246 800970489 /nfs/dbraw/zinc/97/04/89/800970489.db2.gz ZNGHQDGCQYXMCF-ZDUSSCGKSA-N 1 1 292.810 3.062 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C)cc(C)c2)C1 ZINC001033617886 800972361 /nfs/dbraw/zinc/97/23/61/800972361.db2.gz SLNRQFLNEMDDDH-KRWDZBQOSA-N 1 1 286.419 3.026 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C(C)C)s2)C1 ZINC001033697676 800974980 /nfs/dbraw/zinc/97/49/80/800974980.db2.gz WMDZASLOHJUMGT-ZDUSSCGKSA-N 1 1 292.448 3.204 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccsc2C)C1 ZINC001033820158 800985364 /nfs/dbraw/zinc/98/53/64/800985364.db2.gz JWMPYKCSJNWIFS-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cscc2Cl)C1 ZINC001033862901 800985447 /nfs/dbraw/zinc/98/54/47/800985447.db2.gz ONQOMEYTSCYVCQ-NSHDSACASA-N 1 1 298.839 3.124 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001033851614 800986085 /nfs/dbraw/zinc/98/60/85/800986085.db2.gz RIXOJZSQYAQGOW-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC23CCCC3)C1 ZINC001034016497 800992377 /nfs/dbraw/zinc/99/23/77/800992377.db2.gz IJLYADIFGHATRP-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2cccc(C)c2)C1 ZINC001034083078 801002068 /nfs/dbraw/zinc/00/20/68/801002068.db2.gz OXVSITYIGBCGJU-QGZVFWFLSA-N 1 1 286.419 3.155 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccccc2C)C1 ZINC001034088943 801004364 /nfs/dbraw/zinc/00/43/64/801004364.db2.gz CORQMACPJPGTKM-MRXNPFEDSA-N 1 1 286.419 3.155 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)c2ccsc2)C1 ZINC001034101563 801005538 /nfs/dbraw/zinc/00/55/38/801005538.db2.gz UVCNBCAPXBNYNH-OAHLLOKOSA-N 1 1 292.448 3.299 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001034162452 801009922 /nfs/dbraw/zinc/00/99/22/801009922.db2.gz SNLREUFLMAASQQ-HNNXBMFYSA-N 1 1 294.414 3.331 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001034330193 801016251 /nfs/dbraw/zinc/01/62/51/801016251.db2.gz KFHCCEYFAPHYCZ-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC001034350504 801019110 /nfs/dbraw/zinc/01/91/10/801019110.db2.gz HMGNRFMZOFDPOT-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001034356407 801022060 /nfs/dbraw/zinc/02/20/60/801022060.db2.gz XGXATGPDXHAIMZ-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)C2(C)CC=CC2)C1 ZINC001034376086 801022208 /nfs/dbraw/zinc/02/22/08/801022208.db2.gz HWXSMDWYDJLHQX-CQSZACIVSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)C2(C)CC=CC2)C1 ZINC001034376086 801022213 /nfs/dbraw/zinc/02/22/13/801022213.db2.gz HWXSMDWYDJLHQX-CQSZACIVSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CCCC[N@H+](CCCF)C2)CC1 ZINC001034379159 801022591 /nfs/dbraw/zinc/02/25/91/801022591.db2.gz CESCRNOKTTZHCO-MRXNPFEDSA-N 1 1 296.430 3.063 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2cc(C)ccc2C)C1 ZINC001034502071 801030382 /nfs/dbraw/zinc/03/03/82/801030382.db2.gz CLVSBHVMUIWOOV-INIZCTEOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@H+]1CCCC[C@@H](NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001034541010 801032491 /nfs/dbraw/zinc/03/24/91/801032491.db2.gz LNBHXJYLADCABK-GOSISDBHSA-N 1 1 298.430 3.334 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001034538661 801032759 /nfs/dbraw/zinc/03/27/59/801032759.db2.gz UQLZUXVODOAIAR-AEFFLSMTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)C1CCCC1)CC2 ZINC001035150685 801052315 /nfs/dbraw/zinc/05/23/15/801052315.db2.gz CZXBQYKJTZHREW-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC2(CC[N@H+](CC(C)C)C2)CC1 ZINC001035212336 801055495 /nfs/dbraw/zinc/05/54/95/801055495.db2.gz RVFFRBCIXUBQGH-UHFFFAOYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)c3cccc(C)c3)CC[C@H]21 ZINC001036630838 801085222 /nfs/dbraw/zinc/08/52/22/801085222.db2.gz MUXZTBOQBQXHBW-ZWKOTPCHSA-N 1 1 298.430 3.108 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CN(C(=O)C3CCCCC3)CC[C@H]21 ZINC001036629947 801085520 /nfs/dbraw/zinc/08/55/20/801085520.db2.gz YNWDIEMFIHXGLU-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CN(C(=O)C3CCCCCC3)CC[C@H]21 ZINC001036665567 801087086 /nfs/dbraw/zinc/08/70/86/801087086.db2.gz VVIXYOKZTGVNNZ-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C(=C)C)CC[C@@H]21 ZINC001036792123 801091617 /nfs/dbraw/zinc/09/16/17/801091617.db2.gz KNKJUPGJTJQVBB-CVEARBPZSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2CN(C(=O)C3(CC)CCCC3)CC[C@@H]21 ZINC001036858120 801092397 /nfs/dbraw/zinc/09/23/97/801092397.db2.gz UOPSYZPULOHNEO-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(NCc2nonc2C)cc1 ZINC001164066024 806885568 /nfs/dbraw/zinc/88/55/68/806885568.db2.gz VJAKAECAAMZKAU-KRWDZBQOSA-N 1 1 298.390 3.313 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)c1sccc1Cl ZINC001038280865 801122158 /nfs/dbraw/zinc/12/21/58/801122158.db2.gz MFOCVXROXUKQOG-LLVKDONJSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C)cc1Cl ZINC001038730838 801132285 /nfs/dbraw/zinc/13/22/85/801132285.db2.gz KKOKDPIPQQUOSQ-CYBMUJFWSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001038842976 801134423 /nfs/dbraw/zinc/13/44/23/801134423.db2.gz HTNVOIDMPGYZLH-BRWVUGGUSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C2CCCC2)C1 ZINC001039178783 801150606 /nfs/dbraw/zinc/15/06/06/801150606.db2.gz WEJQHNYGRJPDSR-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC2CCC2)C1 ZINC001039195314 801153214 /nfs/dbraw/zinc/15/32/14/801153214.db2.gz FUSOBYILJCKJAI-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C=C(C)C)C1 ZINC001039206627 801154663 /nfs/dbraw/zinc/15/46/63/801154663.db2.gz NQXZDSUFAZZGJT-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(C)C ZINC001039379882 801160510 /nfs/dbraw/zinc/16/05/10/801160510.db2.gz LFIMHRGRJHMYMG-CVEARBPZSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)C1CC1 ZINC001039475193 801163488 /nfs/dbraw/zinc/16/34/88/801163488.db2.gz IRIUISHDHGDWNH-OIISXLGYSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@]2(CCN(C(=O)C=C(C)C)C2)C1 ZINC001040051601 801170751 /nfs/dbraw/zinc/17/07/51/801170751.db2.gz WDFOSXVVHUIMMI-INIZCTEOSA-N 1 1 296.842 3.020 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@]2(CCN(C(=O)C=C(C)C)C2)C1 ZINC001040051601 801170755 /nfs/dbraw/zinc/17/07/55/801170755.db2.gz WDFOSXVVHUIMMI-INIZCTEOSA-N 1 1 296.842 3.020 20 30 CGEDMO C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)C(=C)C)C2)C1 ZINC001040321465 801175738 /nfs/dbraw/zinc/17/57/38/801175738.db2.gz CDABFICFENHSNI-SFHVURJKSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)c3cccc(C)c3)C2)C1 ZINC001041026749 801184525 /nfs/dbraw/zinc/18/45/25/801184525.db2.gz FNLKWPUNOBTAQO-IBGZPJMESA-N 1 1 298.430 3.109 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)CC)C[C@H]21 ZINC001042206364 801203963 /nfs/dbraw/zinc/20/39/63/801203963.db2.gz DVVUAAZVMYPMPS-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C)cc3)C[C@@H]21 ZINC001042330843 801204629 /nfs/dbraw/zinc/20/46/29/801204629.db2.gz HLPLVYWUEVLMNQ-AEFFLSMTSA-N 1 1 298.430 3.108 20 30 CGEDMO C=C(C)CC[NH+]1CC(N(C)C(=O)c2cc(Cl)cs2)C1 ZINC001044001659 801226249 /nfs/dbraw/zinc/22/62/49/801226249.db2.gz ZFFLQUFLSZPINK-UHFFFAOYSA-N 1 1 298.839 3.124 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCCC[C@@]2(CC[N@H+](CC)C2)C1 ZINC001045964265 801297889 /nfs/dbraw/zinc/29/78/89/801297889.db2.gz DSRFEJYSUNGMSN-ROUUACIJSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)c2cc(C)oc2C)C1 ZINC001046134347 801301457 /nfs/dbraw/zinc/30/14/57/801301457.db2.gz CIVBJZMUFTVAJX-KRWDZBQOSA-N 1 1 290.407 3.057 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)c2oc(C)cc2C)C1 ZINC001046220184 801303408 /nfs/dbraw/zinc/30/34/08/801303408.db2.gz GHNPFQILGRGIIJ-QGZVFWFLSA-N 1 1 290.407 3.057 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)c2ccoc2CC)C1 ZINC001046274573 801305515 /nfs/dbraw/zinc/30/55/15/801305515.db2.gz ACAWAYORLAEBCX-KRWDZBQOSA-N 1 1 290.407 3.002 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)c2c(C)coc2C)C1 ZINC001046290793 801307437 /nfs/dbraw/zinc/30/74/37/801307437.db2.gz SEXGDTLZPHEXQW-KRWDZBQOSA-N 1 1 290.407 3.057 20 30 CGEDMO CCOC1CCC([N@@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC001256442535 806900372 /nfs/dbraw/zinc/90/03/72/806900372.db2.gz QPDMSXJYFNENSF-UHFFFAOYSA-N 1 1 272.392 3.338 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001046415840 801309490 /nfs/dbraw/zinc/30/94/90/801309490.db2.gz SUEZDKQXPZJUSV-SJLPKXTDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)C2CCC(F)CC2)C1 ZINC001046597598 801316069 /nfs/dbraw/zinc/31/60/69/801316069.db2.gz JIFYQGZMIOTWOU-VMBOVVBDSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001046604005 801316590 /nfs/dbraw/zinc/31/65/90/801316590.db2.gz FWWBGRDLDGNAES-QAPCUYQASA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccsc2Cl)C1 ZINC001046675850 801322019 /nfs/dbraw/zinc/32/20/19/801322019.db2.gz VEIIPZLFXZOSAP-CQSZACIVSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC1CCCCC1 ZINC001049305816 801362574 /nfs/dbraw/zinc/36/25/74/801362574.db2.gz FUQGMAQNCLOQFE-DLBZAZTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C=C1CCCCC1 ZINC001049365625 801367534 /nfs/dbraw/zinc/36/75/34/801367534.db2.gz ZQXKUSNGNNYSQM-IAGOWNOFSA-N 1 1 288.435 3.128 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC1CC1 ZINC001049388391 801368204 /nfs/dbraw/zinc/36/82/04/801368204.db2.gz VKXYNUCKZJAMBG-DLBZAZTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCC1CCC1 ZINC001049403187 801368679 /nfs/dbraw/zinc/36/86/79/801368679.db2.gz XXOFREGZJNPTEM-IAGOWNOFSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CCCCCC1 ZINC001049372334 801369482 /nfs/dbraw/zinc/36/94/82/801369482.db2.gz IWSAALOMMSVDDC-IRXDYDNUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC1CCC1 ZINC001049403210 801370128 /nfs/dbraw/zinc/37/01/28/801370128.db2.gz YCYFBAZVHCSRQV-DLBZAZTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(F)=C(C)C ZINC001049421724 801372397 /nfs/dbraw/zinc/37/23/97/801372397.db2.gz ZGHBWCDBEYAJII-HUUCEWRRSA-N 1 1 294.414 3.281 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)C(C)C ZINC001049500751 801374635 /nfs/dbraw/zinc/37/46/35/801374635.db2.gz GAZUCRFXVAWZSG-HZPDHXFCSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(C)CCCC1 ZINC001049627303 801378582 /nfs/dbraw/zinc/37/85/82/801378582.db2.gz QXXDZTCCGGFVKI-JKSUJKDBSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC=C(C)C ZINC001049633435 801378674 /nfs/dbraw/zinc/37/86/74/801378674.db2.gz BTKQQDKLXDYQOP-HZPDHXFCSA-N 1 1 290.451 3.230 20 30 CGEDMO CC[N@@H+](CCC#N)[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001256482153 806906016 /nfs/dbraw/zinc/90/60/16/806906016.db2.gz YLVSNIYVSXKXLU-KBPBESRZSA-N 1 1 295.427 3.010 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCCC ZINC001049644299 801380051 /nfs/dbraw/zinc/38/00/51/801380051.db2.gz IIHBHVZIYNDKQF-LSDHHAIUSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(CC)CC ZINC001049911240 801393707 /nfs/dbraw/zinc/39/37/07/801393707.db2.gz YGTBZSNKCSFJKD-CVEARBPZSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2CCCN(C(=O)CC3CCCCC3)[C@@H]2C1 ZINC001049967149 801394581 /nfs/dbraw/zinc/39/45/81/801394581.db2.gz NTCKGFAGNJHKBO-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C(C)=C2CCCC2)CC1 ZINC001052295217 801428653 /nfs/dbraw/zinc/42/86/53/801428653.db2.gz GFARJCUJKAVGDV-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2c(C)coc2C)CC1 ZINC001052354463 801430749 /nfs/dbraw/zinc/43/07/49/801430749.db2.gz ORRPEIFLZLTIJY-HNNXBMFYSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC=CCCC2)CC1 ZINC001052485688 801437086 /nfs/dbraw/zinc/43/70/86/801437086.db2.gz BVURXGMABMDFSL-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C2(C)CCCCC2)CC1 ZINC001052680413 801443998 /nfs/dbraw/zinc/44/39/98/801443998.db2.gz KGQZEOOFFDJPHV-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2occc2Cl)CC1 ZINC001052686593 801446736 /nfs/dbraw/zinc/44/67/36/801446736.db2.gz LCXAGCSQPSUHEP-GFCCVEGCSA-N 1 1 296.798 3.093 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2occc2CC)CC1 ZINC001052686390 801447586 /nfs/dbraw/zinc/44/75/86/801447586.db2.gz JRJZGIKDFLCVAZ-OAHLLOKOSA-N 1 1 290.407 3.002 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C(C)C)c2)CC1 ZINC001052842759 801453860 /nfs/dbraw/zinc/45/38/60/801453860.db2.gz AGWDBTYCBIBPGF-SFHVURJKSA-N 1 1 298.430 3.028 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C)cc2C)CC1 ZINC001052909868 801455381 /nfs/dbraw/zinc/45/53/81/801455381.db2.gz IRDGRVQJNYQAAF-MRXNPFEDSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)s2)CC1 ZINC001052912710 801455418 /nfs/dbraw/zinc/45/54/18/801455418.db2.gz DJIPQTPUEHFOSA-LLVKDONJSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2ccccc2C)CC[C@H]1C ZINC001071319361 801528220 /nfs/dbraw/zinc/52/82/20/801528220.db2.gz NKPDOUHRUDYKGD-HZPDHXFCSA-N 1 1 286.419 3.154 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)CC2CCCCC2)CC[C@@H]1C ZINC001071335374 801530207 /nfs/dbraw/zinc/53/02/07/801530207.db2.gz VCUWMDVAEDCKDG-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)C2CCCCCC2)CC[C@H]1C ZINC001071384108 801531922 /nfs/dbraw/zinc/53/19/22/801531922.db2.gz SBOXYJMHZRJNLG-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C(F)=C2CCCC2)CC[C@@H]1C ZINC001071427130 801536997 /nfs/dbraw/zinc/53/69/97/801536997.db2.gz GIAIFCQICGJSJM-ZFWWWQNUSA-N 1 1 294.414 3.329 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C)cs2)CC[C@@H]1C ZINC001071476379 801539540 /nfs/dbraw/zinc/53/95/40/801539540.db2.gz FZUYRXMXXFMNSI-KBPBESRZSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)C2(C3CCC3)CCC2)CC[C@@H]1C ZINC001071712044 801547532 /nfs/dbraw/zinc/54/75/32/801547532.db2.gz IIDXOMNXKFINEC-GOEBONIOSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2csc(Cl)c2)CC[C@@H]1C ZINC001071868979 801556056 /nfs/dbraw/zinc/55/60/56/801556056.db2.gz NRKLVNYBUCSKHA-CMPLNLGQSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2ccccc2Cl)CC[C@H]1C ZINC001072016572 801560842 /nfs/dbraw/zinc/56/08/42/801560842.db2.gz SMYXATGWHNKVPC-CHWSQXEVSA-N 1 1 292.810 3.109 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)CC[C@@H]1C ZINC001072115785 801565940 /nfs/dbraw/zinc/56/59/40/801565940.db2.gz CGLOMRCNYYXPFD-UONOGXRCSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)CCC3CCCC3)[C@@H]2C1 ZINC001075508202 801605108 /nfs/dbraw/zinc/60/51/08/801605108.db2.gz XQRZEYHOZMDSHK-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2sccc2Cl)C1 ZINC001079747730 801647860 /nfs/dbraw/zinc/64/78/60/801647860.db2.gz ZQIYCMQMIOFNEH-ZYHUDNBSSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001080984234 801657267 /nfs/dbraw/zinc/65/72/67/801657267.db2.gz MLQJFHRNSQTBFR-RDTXWAMCSA-N 1 1 298.430 3.190 20 30 CGEDMO C=Cc1ccc(C(=O)N2C[C@H]3CC[N@H+](CC(=C)C)C[C@H]32)cc1 ZINC001084677085 801669744 /nfs/dbraw/zinc/66/97/44/801669744.db2.gz UWQNHKKCBYLZMY-QZTJIDSGSA-N 1 1 296.414 3.052 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(Cl)o1 ZINC001085488166 801690964 /nfs/dbraw/zinc/69/09/64/801690964.db2.gz STEWJQKUIAWBGM-LBPRGKRZSA-N 1 1 296.798 3.046 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1occc1C(C)C ZINC001085779657 801703520 /nfs/dbraw/zinc/70/35/20/801703520.db2.gz AGIJXQAMXBMAMU-CQSZACIVSA-N 1 1 290.407 3.125 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1occc1C(C)C ZINC001085779657 801703524 /nfs/dbraw/zinc/70/35/24/801703524.db2.gz AGIJXQAMXBMAMU-CQSZACIVSA-N 1 1 290.407 3.125 20 30 CGEDMO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2C[C@@H](F)CC)CC1 ZINC001085800701 801705161 /nfs/dbraw/zinc/70/51/61/801705161.db2.gz AFZPKTZMAPISOS-HOTGVXAUSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2C[C@@H](F)CC)CC1 ZINC001085800701 801705167 /nfs/dbraw/zinc/70/51/67/801705167.db2.gz AFZPKTZMAPISOS-HOTGVXAUSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C)c(C)c1 ZINC001085957144 801713866 /nfs/dbraw/zinc/71/38/66/801713866.db2.gz UQUAAWAYVGNMKU-KRWDZBQOSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC2CCCC2)[C@H]1CC ZINC001087489909 801752842 /nfs/dbraw/zinc/75/28/42/801752842.db2.gz WDNKJHYYXPJELS-JKSUJKDBSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CC2CCCC2)[C@H]1CC ZINC001087489827 801753210 /nfs/dbraw/zinc/75/32/10/801753210.db2.gz RCSRKOLIXQMVAC-JKSUJKDBSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cc(C)sc2C)[C@H]1CC ZINC001087645860 801759783 /nfs/dbraw/zinc/75/97/83/801759783.db2.gz ZKUPYKMRBZSFDZ-LSDHHAIUSA-N 1 1 292.448 3.134 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC)s2)[C@H]1CC ZINC001087645588 801760357 /nfs/dbraw/zinc/76/03/57/801760357.db2.gz JHIOMKVHOBJEOL-UONOGXRCSA-N 1 1 292.448 3.079 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2=CCCCCC2)[C@H]1C ZINC001088538582 801798889 /nfs/dbraw/zinc/79/88/89/801798889.db2.gz HLXNULYOICOPJV-ZBFHGGJFSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2oc(C)cc2C)[C@H]1C ZINC001088514512 801799989 /nfs/dbraw/zinc/79/99/89/801799989.db2.gz VRLPAHVELNURBE-CABCVRRESA-N 1 1 290.407 3.055 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[N@H+](C[C@@H](C)CC)[C@@H]2C)CC1 ZINC001088838449 801809730 /nfs/dbraw/zinc/80/97/30/801809730.db2.gz JSXFTMIZTFLSJI-LXZKKBNFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)c2cccs2)[C@H]1C ZINC001088851973 801811774 /nfs/dbraw/zinc/81/17/74/801811774.db2.gz AECFAOZFCCVILB-MCIONIFRSA-N 1 1 292.448 3.007 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2occc2CC)[C@H]1C ZINC001088839739 801812251 /nfs/dbraw/zinc/81/22/51/801812251.db2.gz BXRLDUZBXFDSKD-HIFRSBDPSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C(C)C)s2)[C@H]1C ZINC001089065844 801818680 /nfs/dbraw/zinc/81/86/80/801818680.db2.gz DRMLEWQBYZMHOE-OLZOCXBDSA-N 1 1 292.448 3.250 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2CC)CC(C)(C)C1 ZINC001089498013 801840817 /nfs/dbraw/zinc/84/08/17/801840817.db2.gz LNFDXFAPSPCBCF-OWCLPIDISA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CCCCC1 ZINC001089601990 801845912 /nfs/dbraw/zinc/84/59/12/801845912.db2.gz UWJPMPRWSUZBIQ-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC1(C)C ZINC001089628355 801846329 /nfs/dbraw/zinc/84/63/29/801846329.db2.gz HJAXZZYSCFIPCR-LSDHHAIUSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C1CCC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC)CC3)CC1 ZINC001094504878 801872775 /nfs/dbraw/zinc/87/27/75/801872775.db2.gz OHMOEBKCMAQJLO-SJLPKXTDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(C)CC=CCC1)C2 ZINC001095462241 801882867 /nfs/dbraw/zinc/88/28/67/801882867.db2.gz IKKCELNSNPPDKN-MUQADHOPSA-N 1 1 288.435 3.030 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccsc1)C2 ZINC001096775877 801895213 /nfs/dbraw/zinc/89/52/13/801895213.db2.gz GGPQICHDDBSSAF-KFWWJZLASA-N 1 1 290.432 3.049 20 30 CGEDMO CN(C(=O)OC(C)(C)C)C1CCC([N@@H+](C)CCC#N)CC1 ZINC001256667608 806944261 /nfs/dbraw/zinc/94/42/61/806944261.db2.gz VPFJBEGCACHQLT-UHFFFAOYSA-N 1 1 295.427 3.010 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC1(C)C)C2 ZINC001097681111 801903570 /nfs/dbraw/zinc/90/35/70/801903570.db2.gz WCKUTFGVEMAKNF-QXSJWSMHSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C)CC(=C)C1)C2 ZINC001097805115 801905451 /nfs/dbraw/zinc/90/54/51/801905451.db2.gz IEXXHQIUSDPUMK-OAGGEKHMSA-N 1 1 288.435 3.030 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2CCC2)C1 ZINC001098773492 801914305 /nfs/dbraw/zinc/91/43/05/801914305.db2.gz IZHPKKIYZXVZBZ-WMZOPIPTSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)CC ZINC001098917101 801921100 /nfs/dbraw/zinc/92/11/00/801921100.db2.gz VZRZCSDCAQJGBY-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC(=C)Cl ZINC001098948623 801922083 /nfs/dbraw/zinc/92/20/83/801922083.db2.gz ASFCKPRFXJDRMP-CQSZACIVSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC(=C)Cl ZINC001098948623 801922088 /nfs/dbraw/zinc/92/20/88/801922088.db2.gz ASFCKPRFXJDRMP-CQSZACIVSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC(C)C ZINC001098966026 801922448 /nfs/dbraw/zinc/92/24/48/801922448.db2.gz FNZRVLLSTRRZHX-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H](C)CC ZINC001099038277 801926279 /nfs/dbraw/zinc/92/62/79/801926279.db2.gz DXTFMERGEXSRRO-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CCCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCC ZINC001099029310 801926844 /nfs/dbraw/zinc/92/68/44/801926844.db2.gz XPNAWIATAVVRRC-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](F)CC ZINC001099183825 801932191 /nfs/dbraw/zinc/93/21/91/801932191.db2.gz YLTMZDSXVNCJEG-CABCVRRESA-N 1 1 298.446 3.308 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCF ZINC001099187962 801932927 /nfs/dbraw/zinc/93/29/27/801932927.db2.gz ACNWPWARQNXJLF-LSDHHAIUSA-N 1 1 298.446 3.165 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCF ZINC001099187962 801932929 /nfs/dbraw/zinc/93/29/29/801932929.db2.gz ACNWPWARQNXJLF-LSDHHAIUSA-N 1 1 298.446 3.165 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)C1CC1 ZINC001099194726 801934311 /nfs/dbraw/zinc/93/43/11/801934311.db2.gz RMIIRJNIZOIXSR-OAHLLOKOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)C[C@@H](C)CCC)[C@H](C)C1 ZINC001101801369 801989506 /nfs/dbraw/zinc/98/95/06/801989506.db2.gz BJTFDWJOKHYVNK-GVDBMIGSSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1C[N@@H+](CC[C@H](C)F)C[C@H]1C ZINC001102006453 801997960 /nfs/dbraw/zinc/99/79/60/801997960.db2.gz COVNSTRTGYQRGZ-QLFBSQMISA-N 1 1 298.446 3.021 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)CCCCC(C)C)[C@H](C)C1 ZINC001102474733 802009326 /nfs/dbraw/zinc/00/93/26/802009326.db2.gz IYBKAKXTTGVODQ-IAGOWNOFSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](CNC(=O)CCC(C)(C)C)[C@H](C)C1 ZINC001102475816 802009801 /nfs/dbraw/zinc/00/98/01/802009801.db2.gz FUJPBPPDSHTSMS-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)C[C@@H](C)C(C)(C)C)[C@H](C)C1 ZINC001102529147 802011880 /nfs/dbraw/zinc/01/18/80/802011880.db2.gz NRKOLGGKOZMDKB-BZUAXINKSA-N 1 1 294.483 3.319 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)/C(C)=C/CC)C1 ZINC001102728534 802018827 /nfs/dbraw/zinc/01/88/27/802018827.db2.gz XBADWJPXYQWLGX-JRLUYGLASA-N 1 1 292.467 3.383 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)C(C)C)C1 ZINC001102765950 802019459 /nfs/dbraw/zinc/01/94/59/802019459.db2.gz MHOMSUYSKSGJGB-GVDBMIGSSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)/C(C)=C\C)C1 ZINC001102838420 802021421 /nfs/dbraw/zinc/02/14/21/802021421.db2.gz DGJSWMCZYAFTJU-WJYZZLLRSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)CCC(=O)NCC[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1C ZINC001103041300 802028030 /nfs/dbraw/zinc/02/80/30/802028030.db2.gz FLGJPLXFVHOUSJ-GMLRFVCHSA-N 1 1 298.858 3.169 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[C@@H]1C[N@@H+](C[C@@H](F)CC)C[C@H]1C ZINC001103311719 802028338 /nfs/dbraw/zinc/02/83/38/802028338.db2.gz HZEARYAQLISKAN-KFWWJZLASA-N 1 1 298.446 3.021 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)C)C1 ZINC001103665416 802037943 /nfs/dbraw/zinc/03/79/43/802037943.db2.gz BORFORJJKULUIG-OWCLPIDISA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)C2CC2)C1 ZINC001103759229 802038159 /nfs/dbraw/zinc/03/81/59/802038159.db2.gz LBOFHVYSNMLOLU-ZMSDIMECSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)CCCC)CCC[C@@H]12 ZINC001107282501 802083806 /nfs/dbraw/zinc/08/38/06/802083806.db2.gz FWNSUSZOIPOUHQ-NVXWUHKLSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(CNC(=O)CC(C)(C)C)CCC[C@@H]12 ZINC001107282793 802084306 /nfs/dbraw/zinc/08/43/06/802084306.db2.gz VVIMJTGOHOZKPC-CRAIPNDOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](C/C=C\Cl)CC2 ZINC001107319900 802085210 /nfs/dbraw/zinc/08/52/10/802085210.db2.gz VANMTTJZUJRSLM-HXDWRTTPSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)CC)CCC[C@@H]12 ZINC001107291256 802086012 /nfs/dbraw/zinc/08/60/12/802086012.db2.gz QYXUJBPQXVKNCO-LZLYRXPVSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)/C=C/C(C)(C)C)CCC[C@@H]12 ZINC001107334668 802086242 /nfs/dbraw/zinc/08/62/42/802086242.db2.gz RABOIFGTFBZSMI-TZCIALRTSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)C3(C)CC3)CCC[C@@H]12 ZINC001107416956 802088316 /nfs/dbraw/zinc/08/83/16/802088316.db2.gz WPYNOEGYZZKPGK-CRAIPNDOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC)CC2 ZINC001107496523 802090822 /nfs/dbraw/zinc/09/08/22/802090822.db2.gz CLTHVSYTYQRAQZ-CRAIPNDOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=CCCC1)C2 ZINC001109143282 802110167 /nfs/dbraw/zinc/11/01/67/802110167.db2.gz JJHPWHRLLAVNQW-ORQFMDKSSA-N 1 1 288.435 3.173 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(C)(C)CC)C2 ZINC001109330293 802112015 /nfs/dbraw/zinc/11/20/15/802112015.db2.gz DRBDBDRZAQPOFT-ILXRZTDVSA-N 1 1 278.440 3.110 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)C ZINC001109355293 802115467 /nfs/dbraw/zinc/11/54/67/802115467.db2.gz VKAREOHSANLLIE-PMPSAXMXSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1 ZINC001109601945 802119652 /nfs/dbraw/zinc/11/96/52/802119652.db2.gz VBILVGATQVJRSE-IKGGRYGDSA-N 1 1 298.430 3.120 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C/Cl ZINC001109634252 802121592 /nfs/dbraw/zinc/12/15/92/802121592.db2.gz IEMWBBVHGFNQCS-BDXHTSHUSA-N 1 1 296.842 3.063 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C/C=C/Cl ZINC001109634252 802121596 /nfs/dbraw/zinc/12/15/96/802121596.db2.gz IEMWBBVHGFNQCS-BDXHTSHUSA-N 1 1 296.842 3.063 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(C)(C)C)C2 ZINC001110290480 802135726 /nfs/dbraw/zinc/13/57/26/802135726.db2.gz IJBXYTLIOSQVAT-FPCVCCKLSA-N 1 1 292.467 3.499 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC=CCC1)C2 ZINC001110275592 802136989 /nfs/dbraw/zinc/13/69/89/802136989.db2.gz NIWVAOAELZBVIW-VQHPVUNQSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(CC)CC)C2 ZINC001110307601 802137160 /nfs/dbraw/zinc/13/71/60/802137160.db2.gz IQGQZNAAFHNZOX-SVGFKBNWSA-N 1 1 292.467 3.499 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)C ZINC001110378759 802138863 /nfs/dbraw/zinc/13/88/63/802138863.db2.gz GTLDSGUIDTVMHE-OAGGEKHMSA-N 1 1 278.440 3.110 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCC1 ZINC001110606056 802146569 /nfs/dbraw/zinc/14/65/69/802146569.db2.gz UKUJISXIAROINZ-ZACQAIPSSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCC ZINC001110898541 802149028 /nfs/dbraw/zinc/14/90/28/802149028.db2.gz JEXFMEOGHWJCKC-KFWWJZLASA-N 1 1 278.440 3.110 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C/Cl ZINC001110984615 802152933 /nfs/dbraw/zinc/15/29/33/802152933.db2.gz JWNKAOKJVSQGND-JSMNEATESA-N 1 1 296.842 3.063 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C/C=C/Cl ZINC001110984615 802152938 /nfs/dbraw/zinc/15/29/38/802152938.db2.gz JWNKAOKJVSQGND-JSMNEATESA-N 1 1 296.842 3.063 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@@H](C)F ZINC001111073420 802154836 /nfs/dbraw/zinc/15/48/36/802154836.db2.gz JXKLNJHOJYQMKB-TUVASFSCSA-N 1 1 296.430 3.058 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H](C)CC)C2 ZINC001111176332 802156907 /nfs/dbraw/zinc/15/69/07/802156907.db2.gz KNOJRQCDPTVWEH-FPCVCCKLSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CCCC2)C1 ZINC001111559116 802160368 /nfs/dbraw/zinc/16/03/68/802160368.db2.gz PQZNTQOGSKDBBI-WMZOPIPTSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCCC)C1 ZINC001111594595 802163161 /nfs/dbraw/zinc/16/31/61/802163161.db2.gz CZFPCPLWPVDXGD-RDJZCZTQSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)CCCC)C1 ZINC001111608170 802165249 /nfs/dbraw/zinc/16/52/49/802165249.db2.gz FFZKTELAXDQFSG-RYRKJORJSA-N 1 1 292.467 3.360 20 30 CGEDMO C[C@@H](Cc1ccncc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001256744009 806968059 /nfs/dbraw/zinc/96/80/59/806968059.db2.gz UEINDOCPGFJEEO-AWEZNQCLSA-N 1 1 265.360 3.016 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)CCC ZINC001114079863 802237190 /nfs/dbraw/zinc/23/71/90/802237190.db2.gz NKTJTEOJOJJVNB-NCOADZHNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C=C(CC)CC ZINC001114141885 802238349 /nfs/dbraw/zinc/23/83/49/802238349.db2.gz XIDHPPJHJHTUMJ-KMANFZQXSA-N 1 1 290.451 3.134 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H]2C(NC(=O)/C=C(\C)CC)[C@@H]2C1 ZINC001114239926 802240552 /nfs/dbraw/zinc/24/05/52/802240552.db2.gz OIAQODJUAVYHRL-ABEYWZNOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](C)CC(C)C)C[C@H]21 ZINC001114757584 802244432 /nfs/dbraw/zinc/24/44/32/802244432.db2.gz MZGVVLJXMLDBKX-CBZIJGRNSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)CC(C)C ZINC001115108816 802252730 /nfs/dbraw/zinc/25/27/30/802252730.db2.gz PLHNHOFBDRMONA-LISAXSMJSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](CC)C(C)(C)C ZINC001115113133 802253590 /nfs/dbraw/zinc/25/35/90/802253590.db2.gz FZHLNXDUSITURF-AIANPOQGSA-N 1 1 292.467 3.071 20 30 CGEDMO CCCCCCC[C@H](CCC)[NH2+][C@H]1CCOC1=O ZINC001172502173 808357846 /nfs/dbraw/zinc/35/78/46/808357846.db2.gz OOUSVMANOINCRU-KBPBESRZSA-N 1 1 255.402 3.421 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)C(CC)CC)C1 ZINC001270940459 808755331 /nfs/dbraw/zinc/75/53/31/808755331.db2.gz JEQLIWQTHYXYLX-KRWDZBQOSA-N 1 1 280.456 3.217 20 30 CGEDMO Cc1nccc([C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)n1 ZINC001118303820 802547152 /nfs/dbraw/zinc/54/71/52/802547152.db2.gz YQLFLUDJUCUUAR-ZDUSSCGKSA-N 1 1 298.415 3.098 20 30 CGEDMO N#Cc1cccc(C#N)c1N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001118542035 802581127 /nfs/dbraw/zinc/58/11/27/802581127.db2.gz XEQUUWZRJDDYCS-MRXNPFEDSA-N 1 1 294.402 3.249 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2F)C1 ZINC001118578215 802586482 /nfs/dbraw/zinc/58/64/82/802586482.db2.gz XJVUCTSYEIRFRM-NSHDSACASA-N 1 1 267.294 3.339 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2F)C1 ZINC001118578215 802586485 /nfs/dbraw/zinc/58/64/85/802586485.db2.gz XJVUCTSYEIRFRM-NSHDSACASA-N 1 1 267.294 3.339 20 30 CGEDMO Clc1ccccc1C#CC[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001118799405 802604667 /nfs/dbraw/zinc/60/46/67/802604667.db2.gz YFTWMNGANAWRDD-DOTOQJQBSA-N 1 1 289.806 3.192 20 30 CGEDMO Clc1ccccc1C#CC[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001118799405 802604671 /nfs/dbraw/zinc/60/46/71/802604671.db2.gz YFTWMNGANAWRDD-DOTOQJQBSA-N 1 1 289.806 3.192 20 30 CGEDMO C#CC[C@@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC001118800966 802604885 /nfs/dbraw/zinc/60/48/85/802604885.db2.gz JIJNFNBCRBXVBG-IAGOWNOFSA-N 1 1 270.420 3.213 20 30 CGEDMO C#CC[C@@H]([NH2+][C@@H]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001118800966 802604899 /nfs/dbraw/zinc/60/48/99/802604899.db2.gz JIJNFNBCRBXVBG-IAGOWNOFSA-N 1 1 270.420 3.213 20 30 CGEDMO Cc1csc(C[C@@H]2CCC[N@H+](CC3(C#N)CC3)C2)n1 ZINC001119437747 802664131 /nfs/dbraw/zinc/66/41/31/802664131.db2.gz DPTJKPSXMVITEW-ZDUSSCGKSA-N 1 1 275.421 3.010 20 30 CGEDMO Cc1csc(C[C@@H]2CCC[N@@H+](CC3(C#N)CC3)C2)n1 ZINC001119437747 802664133 /nfs/dbraw/zinc/66/41/33/802664133.db2.gz DPTJKPSXMVITEW-ZDUSSCGKSA-N 1 1 275.421 3.010 20 30 CGEDMO CC(C)[C@H]([NH2+]CC1CCC(C#N)CC1)C(=O)OC(C)(C)C ZINC001119811316 802701048 /nfs/dbraw/zinc/70/10/48/802701048.db2.gz HCTMIDJYHKWCAV-NRXISQOPSA-N 1 1 294.439 3.272 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)C)C1 ZINC001120309104 802739962 /nfs/dbraw/zinc/73/99/62/802739962.db2.gz IVBAIIDMLNAPRN-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CCC=C)C1 ZINC001120348091 802740970 /nfs/dbraw/zinc/74/09/70/802740970.db2.gz PIFOBSHUULJYIB-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO CCC[C@@](C)(C#N)N[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256906684 807006920 /nfs/dbraw/zinc/00/69/20/807006920.db2.gz UCXYRHDGBKPDAA-HOCLYGCPSA-N 1 1 263.429 3.065 20 30 CGEDMO C=C(CC)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC001123773669 802969466 /nfs/dbraw/zinc/96/94/66/802969466.db2.gz ONEAWMHZUFHGBN-UHFFFAOYSA-N 1 1 266.772 3.306 20 30 CGEDMO N#C[C@H]1CC=C(c2ccccc2C[NH+]2CCOCC2)CC1 ZINC001243797077 803016321 /nfs/dbraw/zinc/01/63/21/803016321.db2.gz JBXANIBDCRJBBX-HNNXBMFYSA-N 1 1 282.387 3.226 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCCCC)C1 ZINC001131895121 803355235 /nfs/dbraw/zinc/35/52/35/803355235.db2.gz FWUHKVUAJFNNGV-HUUCEWRRSA-N 1 1 266.429 3.112 20 30 CGEDMO C#CCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCCCC)C1 ZINC001131976611 803364830 /nfs/dbraw/zinc/36/48/30/803364830.db2.gz NFZIHSGXVCMCBW-IAGOWNOFSA-N 1 1 292.467 3.339 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)CC(C)(C)C2CC2)CC[C@@H]1C ZINC001132006189 803365616 /nfs/dbraw/zinc/36/56/16/803365616.db2.gz HDKTZWFMPXYLLW-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCC(C)(C)C)C1 ZINC001132003766 803366249 /nfs/dbraw/zinc/36/62/49/803366249.db2.gz ZLEBJIJDTBDNNM-JKSUJKDBSA-N 1 1 292.467 3.195 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CC(C)(C)C2CC2)CC[C@@H]1C ZINC001132007342 803366751 /nfs/dbraw/zinc/36/67/51/803366751.db2.gz ZKXHGSFFTHLGEU-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C(CC=C)CC=C)CC[C@@H]1C ZINC001132056675 803369219 /nfs/dbraw/zinc/36/92/19/803369219.db2.gz BGRFTYALBGJYLK-RDJZCZTQSA-N 1 1 290.451 3.300 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C=C)CC[C@@H]1C ZINC001132228536 803383777 /nfs/dbraw/zinc/38/37/77/803383777.db2.gz SIEFODHAZJIBHI-GJZGRUSLSA-N 1 1 278.440 3.134 20 30 CGEDMO C#CCCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(C)C)C1 ZINC001132241512 803385582 /nfs/dbraw/zinc/38/55/82/803385582.db2.gz VRWVLHWDVYVILT-IAGOWNOFSA-N 1 1 292.467 3.195 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2(CF)CCC2)CC[C@@H]1C ZINC001132313672 803393066 /nfs/dbraw/zinc/39/30/66/803393066.db2.gz CBJFHQRGAJBYEQ-GJZGRUSLSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCC2CC2)C1 ZINC001132332020 803396932 /nfs/dbraw/zinc/39/69/32/803396932.db2.gz RACQOYXRZDKKEW-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO N#CCOc1ccc(C[N@@H+]2CC[C@@H](F)C(F)(F)CC2)cc1 ZINC001137114770 803684965 /nfs/dbraw/zinc/68/49/65/803684965.db2.gz ZGGIVGJQMNYLBS-CQSZACIVSA-N 1 1 298.308 3.158 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cc(C(=O)OC)ccc1OC ZINC001137250432 803703071 /nfs/dbraw/zinc/70/30/71/803703071.db2.gz ZJDFQKDEQKMRRJ-UHFFFAOYSA-N 1 1 291.391 3.270 20 30 CGEDMO C=CC[N@H+](Cc1nc2ccccn2c1C)C(C)(C)C ZINC001137276076 803706862 /nfs/dbraw/zinc/70/68/62/803706862.db2.gz XDZNICUKKFFWNP-UHFFFAOYSA-N 1 1 257.381 3.429 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2c[nH]c3ccc(F)cc23)C1 ZINC001137341500 803720268 /nfs/dbraw/zinc/72/02/68/803720268.db2.gz PBRULNYICMNXSE-GFCCVEGCSA-N 1 1 256.324 3.152 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC001137654254 803750129 /nfs/dbraw/zinc/75/01/29/803750129.db2.gz GEUSSFCBGAHEAO-NSHDSACASA-N 1 1 251.732 3.324 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC001137654254 803750134 /nfs/dbraw/zinc/75/01/34/803750134.db2.gz GEUSSFCBGAHEAO-NSHDSACASA-N 1 1 251.732 3.324 20 30 CGEDMO COc1ccc(C[N@@H+]2CC[C@@H](F)C(F)(F)CC2)c(C#N)c1 ZINC001137698023 803759795 /nfs/dbraw/zinc/75/97/95/803759795.db2.gz GJHVZBHICJPFKB-CQSZACIVSA-N 1 1 298.308 3.136 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@@H](F)C(F)(F)CC2)c(C#N)c1 ZINC001137698023 803759797 /nfs/dbraw/zinc/75/97/97/803759797.db2.gz GJHVZBHICJPFKB-CQSZACIVSA-N 1 1 298.308 3.136 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2C)c(C#N)c1 ZINC001137703342 803760714 /nfs/dbraw/zinc/76/07/14/803760714.db2.gz KCWZWKCTXPULFQ-QWHCGFSZSA-N 1 1 258.365 3.187 20 30 CGEDMO COc1ccc(C[N@@H+]2CC[C@H](C)C(F)(F)CC2)c(C#N)c1 ZINC001137699421 803760960 /nfs/dbraw/zinc/76/09/60/803760960.db2.gz HOKDMNOXITUFKS-LBPRGKRZSA-N 1 1 294.345 3.434 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@H](C)C(F)(F)CC2)c(C#N)c1 ZINC001137699421 803760969 /nfs/dbraw/zinc/76/09/69/803760969.db2.gz HOKDMNOXITUFKS-LBPRGKRZSA-N 1 1 294.345 3.434 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(O)c3ccccc23)C1 ZINC001138061725 803843226 /nfs/dbraw/zinc/84/32/26/803843226.db2.gz SISVJQPXQOCLJN-CQSZACIVSA-N 1 1 265.356 3.391 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2ccc(O)c3ccccc23)C1 ZINC001138061400 803843428 /nfs/dbraw/zinc/84/34/28/803843428.db2.gz LSCCUVHBXWYUMP-CYBMUJFWSA-N 1 1 266.344 3.281 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2ccc(O)c3ccccc23)C1 ZINC001138061400 803843436 /nfs/dbraw/zinc/84/34/36/803843436.db2.gz LSCCUVHBXWYUMP-CYBMUJFWSA-N 1 1 266.344 3.281 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2c(C)n(C)c3ccccc32)C1 ZINC001138257986 803884771 /nfs/dbraw/zinc/88/47/71/803884771.db2.gz GRUZXESURVHBLR-OAHLLOKOSA-N 1 1 266.388 3.332 20 30 CGEDMO CC(C)(C)Oc1cccc(C[N@H+]2CCC[C@H](C#N)CC2)n1 ZINC001138283654 803888486 /nfs/dbraw/zinc/88/84/86/803888486.db2.gz CVKHVQVQMWMYHT-AWEZNQCLSA-N 1 1 287.407 3.385 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1cccc2nccnc12 ZINC001138303389 803889715 /nfs/dbraw/zinc/88/97/15/803889715.db2.gz VYWNNVYQKPFJTM-UHFFFAOYSA-N 1 1 268.364 3.146 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1cccc2nccnc12 ZINC001138303389 803889723 /nfs/dbraw/zinc/88/97/23/803889723.db2.gz VYWNNVYQKPFJTM-UHFFFAOYSA-N 1 1 268.364 3.146 20 30 CGEDMO C#CC[N@@H+](Cc1cc(O)cc(O)c1)[C@@H]1CCc2ccccc21 ZINC001138330091 803897233 /nfs/dbraw/zinc/89/72/33/803897233.db2.gz UPJYBKRYTAHGLV-LJQANCHMSA-N 1 1 293.366 3.221 20 30 CGEDMO C#CC[N@H+](Cc1cc(O)cc(O)c1)[C@@H]1CCc2ccccc21 ZINC001138330091 803897237 /nfs/dbraw/zinc/89/72/37/803897237.db2.gz UPJYBKRYTAHGLV-LJQANCHMSA-N 1 1 293.366 3.221 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@@](C)(F)C2)cc1OC ZINC001138343329 803898358 /nfs/dbraw/zinc/89/83/58/803898358.db2.gz KAPQJJANEHFYFX-QGZVFWFLSA-N 1 1 291.366 3.031 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC[C@@](C)(F)C2)cc1OC ZINC001138343329 803898367 /nfs/dbraw/zinc/89/83/67/803898367.db2.gz KAPQJJANEHFYFX-QGZVFWFLSA-N 1 1 291.366 3.031 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CC3CCC2CC3)cc1OC ZINC001138348896 803900724 /nfs/dbraw/zinc/90/07/24/803900724.db2.gz PAEOXDCHBIVSOB-UHFFFAOYSA-N 1 1 285.387 3.082 20 30 CGEDMO CCc1cccc2c(C[N@@H+]3CCC[C@H](C#N)C3)c[nH]c21 ZINC001138366163 803906652 /nfs/dbraw/zinc/90/66/52/803906652.db2.gz ROGGEJVLRPNUIJ-CYBMUJFWSA-N 1 1 267.376 3.466 20 30 CGEDMO CCc1cccc2c(C[N@H+]3CCC[C@H](C#N)C3)c[nH]c21 ZINC001138366163 803906656 /nfs/dbraw/zinc/90/66/56/803906656.db2.gz ROGGEJVLRPNUIJ-CYBMUJFWSA-N 1 1 267.376 3.466 20 30 CGEDMO COc1ccc(C[N@@H+]2CCC[C@@H](C#N)CC2)cc1Cl ZINC001138473814 803945410 /nfs/dbraw/zinc/94/54/10/803945410.db2.gz CWIXUFUTRBJXLY-GFCCVEGCSA-N 1 1 278.783 3.474 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@@H](C#N)CC2)cc1Cl ZINC001138473814 803945415 /nfs/dbraw/zinc/94/54/15/803945415.db2.gz CWIXUFUTRBJXLY-GFCCVEGCSA-N 1 1 278.783 3.474 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1c[nH]c2ccc(OC)cc12 ZINC001138510808 803954685 /nfs/dbraw/zinc/95/46/85/803954685.db2.gz KIFDHDBENDJDLM-UHFFFAOYSA-N 1 1 271.364 3.302 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1c[nH]c2ccc(OC)cc12 ZINC001138510808 803954687 /nfs/dbraw/zinc/95/46/87/803954687.db2.gz KIFDHDBENDJDLM-UHFFFAOYSA-N 1 1 271.364 3.302 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)cc1 ZINC001138556059 803966585 /nfs/dbraw/zinc/96/65/85/803966585.db2.gz DCHNNCWHCZDSAV-GASCZTMLSA-N 1 1 291.341 3.176 20 30 CGEDMO C=CCc1cccc(C[N@@H+](C)Cc2cccc(O)c2)c1O ZINC001138625586 803982235 /nfs/dbraw/zinc/98/22/35/803982235.db2.gz PKWKXHHOUBLYGY-UHFFFAOYSA-N 1 1 283.371 3.458 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2CC[C@H](OC)C[C@H]2C)c1O ZINC001138631343 803984596 /nfs/dbraw/zinc/98/45/96/803984596.db2.gz PWZVAPYIOFDKLV-CJNGLKHVSA-N 1 1 275.392 3.120 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CCC[C@H](O)[C@H](C)C1 ZINC001138662048 803993999 /nfs/dbraw/zinc/99/39/99/803993999.db2.gz NTCACXZLASCRQO-WBVHZDCISA-N 1 1 289.419 3.234 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1CCOC[C@@H](C)C1 ZINC001138663164 803998048 /nfs/dbraw/zinc/99/80/48/803998048.db2.gz PAOZMFMLTLPGOD-HNNXBMFYSA-N 1 1 275.392 3.110 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2ccccc2OC(F)F)CC1 ZINC001138910963 804071923 /nfs/dbraw/zinc/07/19/23/804071923.db2.gz GPVZWZUNQWPCBG-LBPRGKRZSA-N 1 1 280.318 3.414 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2ccccc2OC(F)F)CC1 ZINC001138910963 804071934 /nfs/dbraw/zinc/07/19/34/804071934.db2.gz GPVZWZUNQWPCBG-LBPRGKRZSA-N 1 1 280.318 3.414 20 30 CGEDMO CCCCCCCC[C@@H](O)CN1CCC[C@H](C[NH2+]C)C1 ZINC001246014752 804098644 /nfs/dbraw/zinc/09/86/44/804098644.db2.gz CUVNQLVKBPBSGP-IAGOWNOFSA-N 1 1 284.488 3.029 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[NH2+]C[C@@H](N)C(C)C ZINC001246003786 804098931 /nfs/dbraw/zinc/09/89/31/804098931.db2.gz NXUCZIXMBGSEGD-IAGOWNOFSA-N 1 1 286.504 3.451 20 30 CGEDMO CCCCCCCCCC[C@@H](O)CNC[C@@H]([NH3+])C(C)C ZINC001246003786 804098940 /nfs/dbraw/zinc/09/89/40/804098940.db2.gz NXUCZIXMBGSEGD-IAGOWNOFSA-N 1 1 286.504 3.451 20 30 CGEDMO CCCCCCCC[C@@H](O)CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246024380 804100998 /nfs/dbraw/zinc/10/09/98/804100998.db2.gz FNRDVQZGDSXAOI-MSOLQXFVSA-N 1 1 296.499 3.173 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+]1CCN[C@H](C(C)C)C1 ZINC001246034824 804103051 /nfs/dbraw/zinc/10/30/51/804103051.db2.gz FIJJAGCJWUAENR-IRXDYDNUSA-N 1 1 284.488 3.028 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCN[C@H](C(C)C)C1 ZINC001246034824 804103054 /nfs/dbraw/zinc/10/30/54/804103054.db2.gz FIJJAGCJWUAENR-IRXDYDNUSA-N 1 1 284.488 3.028 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCc2ccncc2C1 ZINC001139029891 804113561 /nfs/dbraw/zinc/11/35/61/804113561.db2.gz UXBHNMILSMSMPT-UHFFFAOYSA-N 1 1 280.371 3.205 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCc2ccncc2C1 ZINC001139029891 804113564 /nfs/dbraw/zinc/11/35/64/804113564.db2.gz UXBHNMILSMSMPT-UHFFFAOYSA-N 1 1 280.371 3.205 20 30 CGEDMO O=C1C=C2C[N@@H+](Cc3cc4ccccc4o3)CC[C@H]2S1 ZINC001139061979 804119631 /nfs/dbraw/zinc/11/96/31/804119631.db2.gz YJMACQXVVOENTK-OAHLLOKOSA-N 1 1 285.368 3.207 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3cc4ccccc4o3)CC[C@H]2S1 ZINC001139061979 804119632 /nfs/dbraw/zinc/11/96/32/804119632.db2.gz YJMACQXVVOENTK-OAHLLOKOSA-N 1 1 285.368 3.207 20 30 CGEDMO CC[N@@H+](C)Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139423792 804188588 /nfs/dbraw/zinc/18/85/88/804188588.db2.gz IULUWXSLRQFJPK-UHFFFAOYSA-N 1 1 267.332 3.197 20 30 CGEDMO CC1C[NH+](Cc2ccc(Oc3ccc(C#N)cc3)nc2)C1 ZINC001139423410 804188941 /nfs/dbraw/zinc/18/89/41/804188941.db2.gz FLHJUSGYINTLAV-UHFFFAOYSA-N 1 1 279.343 3.197 20 30 CGEDMO CCCCCCCCC[C@@H](C)[NH2+][C@@H]1CCNC[C@H]1OC ZINC001246219463 804212910 /nfs/dbraw/zinc/21/29/10/804212910.db2.gz ZETXVLALQYYIGO-BRWVUGGUSA-N 1 1 284.488 3.482 20 30 CGEDMO CCCCCCC[C@H](CC)[NH2+][C@H]1CNCC[C@H]1F ZINC001246217430 804213775 /nfs/dbraw/zinc/21/37/75/804213775.db2.gz JSFYVCTWNMLBAB-ZNMIVQPWSA-N 1 1 258.425 3.415 20 30 CGEDMO CCCCCCCCC[C@H](C)[NH2+][C@H]1CNC[C@@H]1OC ZINC001246238519 804229792 /nfs/dbraw/zinc/22/97/92/804229792.db2.gz FXJBKFWSYABKRO-JYJNAYRXSA-N 1 1 270.461 3.092 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2c[nH]c3c2cccc3C#N)CCC[C@@]1(C)O ZINC001139701609 804259298 /nfs/dbraw/zinc/25/92/98/804259298.db2.gz MEFGYLDISAXMGR-FZKQIMNGSA-N 1 1 297.402 3.022 20 30 CGEDMO COC(C)(C)[C@H]1CCC[N@H+]1Cc1c[nH]c2c1cccc2C#N ZINC001139703923 804260083 /nfs/dbraw/zinc/26/00/83/804260083.db2.gz XUZALMDDCYNWNW-MRXNPFEDSA-N 1 1 297.402 3.429 20 30 CGEDMO COCC[C@H]1CCCC[N@H+]1Cc1c[nH]c2c1cccc2C#N ZINC001139703302 804260491 /nfs/dbraw/zinc/26/04/91/804260491.db2.gz NBFSFWGLTJIICJ-MRXNPFEDSA-N 1 1 297.402 3.431 20 30 CGEDMO C=C1C[C@@H]2CC([NH2+]C[C@@H](N)CC(C)C)C[C@H](C1)C2 ZINC001246312569 804274354 /nfs/dbraw/zinc/27/43/54/804274354.db2.gz SQNHRXUSRAWLBH-QGPPMGRFSA-N 1 1 250.430 3.084 20 30 CGEDMO C=CCn1cc(C[N@H+]2CCCC3(CCCC3)C2)cn1 ZINC001139768412 804277838 /nfs/dbraw/zinc/27/78/38/804277838.db2.gz PBZUKFAQDIUHOL-UHFFFAOYSA-N 1 1 259.397 3.225 20 30 CGEDMO C=CCn1cc(C[N@@H+](C)[C@@H](C)c2ccccc2OC)cn1 ZINC001139772769 804280071 /nfs/dbraw/zinc/28/00/71/804280071.db2.gz QJPFMGFSCOFRAB-AWEZNQCLSA-N 1 1 285.391 3.271 20 30 CGEDMO C=CCn1cc(C[N@H+](C)[C@@H](C)c2ccccc2OC)cn1 ZINC001139772769 804280074 /nfs/dbraw/zinc/28/00/74/804280074.db2.gz QJPFMGFSCOFRAB-AWEZNQCLSA-N 1 1 285.391 3.271 20 30 CGEDMO CCCCCCC[C@@H](CCC)[NH2+][C@H]1CCNC[C@H]1OC ZINC001246352730 804299666 /nfs/dbraw/zinc/29/96/66/804299666.db2.gz ZDNMKTKGLJZJIR-IXDOHACOSA-N 1 1 284.488 3.482 20 30 CGEDMO CC[C@H](CC#N)N[C@H](c1cccc(F)c1)C1CC[NH2+]CC1 ZINC001246402077 804321751 /nfs/dbraw/zinc/32/17/51/804321751.db2.gz WHWQLEXSJGIJRS-SJORKVTESA-N 1 1 289.398 3.148 20 30 CGEDMO C#CC[N@@H+](Cc1cnc(Cl)nc1)[C@@H]1CCc2ccccc21 ZINC001139992390 804344741 /nfs/dbraw/zinc/34/47/41/804344741.db2.gz HUOFTVDJMWZMIU-MRXNPFEDSA-N 1 1 297.789 3.253 20 30 CGEDMO C#CC[N@H+](Cc1cnc(Cl)nc1)[C@@H]1CCc2ccccc21 ZINC001139992390 804344750 /nfs/dbraw/zinc/34/47/50/804344750.db2.gz HUOFTVDJMWZMIU-MRXNPFEDSA-N 1 1 297.789 3.253 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](Cc2ccc(-c3ccncc3)cc2)C1 ZINC001140173819 804395020 /nfs/dbraw/zinc/39/50/20/804395020.db2.gz ICELQWLZZAACLI-GOSISDBHSA-N 1 1 277.371 3.484 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](Cc2ccc(-c3ccncc3)cc2)C1 ZINC001140173819 804395029 /nfs/dbraw/zinc/39/50/29/804395029.db2.gz ICELQWLZZAACLI-GOSISDBHSA-N 1 1 277.371 3.484 20 30 CGEDMO N#Cc1ccc(C2CCC([N@@H+]3CCCC[C@H]3CN)CC2)cc1 ZINC001246546023 804395311 /nfs/dbraw/zinc/39/53/11/804395311.db2.gz YWQPFTVYKUZMBE-ACBHZAAOSA-N 1 1 297.446 3.398 20 30 CGEDMO N#Cc1ccc(C2CCC(N3CCCC[C@H]3C[NH3+])CC2)cc1 ZINC001246546023 804395320 /nfs/dbraw/zinc/39/53/20/804395320.db2.gz YWQPFTVYKUZMBE-ACBHZAAOSA-N 1 1 297.446 3.398 20 30 CGEDMO Cc1ccc(C)c(C[N@H+]2CCC[C@@H](C#N)CC2)c1O ZINC001140182772 804396049 /nfs/dbraw/zinc/39/60/49/804396049.db2.gz ZTRSMNBIFKSNMI-CQSZACIVSA-N 1 1 258.365 3.135 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1ccncc1O ZINC001140277603 804407242 /nfs/dbraw/zinc/40/72/42/804407242.db2.gz HFZJQLBOAXBHBJ-UHFFFAOYSA-N 1 1 268.360 3.366 20 30 CGEDMO CCCCCCCC[C@H](CC)[N@H+]1CCN[C@@H](COC)C1 ZINC001246590974 804434189 /nfs/dbraw/zinc/43/41/89/804434189.db2.gz FPXRRGHDUDXAPV-SJORKVTESA-N 1 1 284.488 3.436 20 30 CGEDMO N#Cc1ccc(Nc2ccc[nH+]c2N)c2ccccc12 ZINC001212398294 815017885 /nfs/dbraw/zinc/01/78/85/815017885.db2.gz OCRIKPKMCNLAOJ-UHFFFAOYSA-N 1 1 260.300 3.432 20 30 CGEDMO CCCCCCCC[C@@H](CCC)[N@H+]1CCNC[C@H](O)C1 ZINC001246602766 804440534 /nfs/dbraw/zinc/44/05/34/804440534.db2.gz PLKYFEZULPOXJW-SJORKVTESA-N 1 1 284.488 3.172 20 30 CGEDMO CCCCCCC[C@@H](CC)N1CC2(C1)CC[NH2+]C2 ZINC001246614176 804448935 /nfs/dbraw/zinc/44/89/35/804448935.db2.gz MPJDAMNKLQLCNO-OAHLLOKOSA-N 1 1 252.446 3.421 20 30 CGEDMO N#Cc1cccc(Br)c1Nc1ccc[nH+]c1N ZINC001212403987 815019713 /nfs/dbraw/zinc/01/97/13/815019713.db2.gz GHGRISDTNLWYEQ-UHFFFAOYSA-N 1 1 289.136 3.042 20 30 CGEDMO CC(C)[N@@H+](C)[C@@H]1CCN(Cc2cc(C#N)ccc2Cl)C1 ZINC001140603998 804473589 /nfs/dbraw/zinc/47/35/89/804473589.db2.gz MPIYQFMZXODQNR-OAHLLOKOSA-N 1 1 291.826 3.126 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1cccc2ccncc21 ZINC001140643920 804482396 /nfs/dbraw/zinc/48/23/96/804482396.db2.gz QYAQDMXTHNBTCW-UHFFFAOYSA-N 1 1 253.349 3.360 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2cccc3ccncc32)CC1 ZINC001140643910 804483229 /nfs/dbraw/zinc/48/32/29/804483229.db2.gz QQJOFTDDVGHJNW-CQSZACIVSA-N 1 1 265.360 3.360 20 30 CGEDMO C[N@H+](Cc1cc(F)c(C#N)c(F)c1)C1CC(F)(F)C1 ZINC001140751110 804504295 /nfs/dbraw/zinc/50/42/95/804504295.db2.gz JUJZGOIYQOXJMB-UHFFFAOYSA-N 1 1 272.245 3.066 20 30 CGEDMO C[N@@H+](Cc1cc(F)c(C#N)c(F)c1)C1CC(F)(F)C1 ZINC001140751110 804504298 /nfs/dbraw/zinc/50/42/98/804504298.db2.gz JUJZGOIYQOXJMB-UHFFFAOYSA-N 1 1 272.245 3.066 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2cc(F)c(C#N)c(F)c2)[C@H]1C ZINC001140754388 804506795 /nfs/dbraw/zinc/50/67/95/804506795.db2.gz XSIBMIKOMZDKSD-MNOVXSKESA-N 1 1 264.319 3.457 20 30 CGEDMO CC(C)[N@@H+](Cc1cc(F)c(C#N)c(F)c1)C1CCOCC1 ZINC001140755545 804506941 /nfs/dbraw/zinc/50/69/41/804506941.db2.gz JOHGXNTYJJZDHE-UHFFFAOYSA-N 1 1 294.345 3.226 20 30 CGEDMO C=CC[N@H+](Cc1cnc(SC)nc1NC)C(C)(C)C ZINC001140841417 804533293 /nfs/dbraw/zinc/53/32/93/804533293.db2.gz ZBBAOYDFXVRDKD-UHFFFAOYSA-N 1 1 280.441 3.027 20 30 CGEDMO COC(=O)[C@H](CC1CCCCC1)[NH2+]C1CCC(C#N)CC1 ZINC001256958260 807016329 /nfs/dbraw/zinc/01/63/29/807016329.db2.gz WRWJIYWEERPULO-GPANFISMSA-N 1 1 292.423 3.170 20 30 CGEDMO COc1ccc2c(c1)CC[N@@H+](C1CCC(C#N)CC1)C2 ZINC001256965179 807018756 /nfs/dbraw/zinc/01/87/56/807018756.db2.gz LXBJMENYNSNWSL-UHFFFAOYSA-N 1 1 270.376 3.136 20 30 CGEDMO N#CC1CCC([N@H+]2CCc3c(F)cccc3C2)CC1 ZINC001256973596 807020584 /nfs/dbraw/zinc/02/05/84/807020584.db2.gz UDUKYQRZKIAGNZ-UHFFFAOYSA-N 1 1 258.340 3.266 20 30 CGEDMO N#CC1CCC([N@H+]2CCOC[C@H]2c2ccc(F)cc2)CC1 ZINC001256970758 807021213 /nfs/dbraw/zinc/02/12/13/807021213.db2.gz DTNZKBVXJDPLGZ-IMRCBTMISA-N 1 1 288.366 3.281 20 30 CGEDMO N#CC1CCC([N@@H+]2CCOC[C@H]2c2ccc(F)cc2)CC1 ZINC001256970758 807021221 /nfs/dbraw/zinc/02/12/21/807021221.db2.gz DTNZKBVXJDPLGZ-IMRCBTMISA-N 1 1 288.366 3.281 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2ccc3cccc(O)c3n2)CC1 ZINC001141021357 804573410 /nfs/dbraw/zinc/57/34/10/804573410.db2.gz DTFNETDPFODQBL-CYBMUJFWSA-N 1 1 281.359 3.066 20 30 CGEDMO CC[C@H]1CC(N(C)Cc2cccc(C#N)c2)C[C@H](CC)[NH2+]1 ZINC001246907206 804591717 /nfs/dbraw/zinc/59/17/17/804591717.db2.gz IPIDIYFQQOOPMB-IRXDYDNUSA-N 1 1 285.435 3.299 20 30 CGEDMO COc1ccc2nccc(C[N@H+]3CCC[C@@H](C#N)CC3)c2c1 ZINC001141150685 804598639 /nfs/dbraw/zinc/59/86/39/804598639.db2.gz KBUGEMYHAADSJE-CQSZACIVSA-N 1 1 295.386 3.369 20 30 CGEDMO CCCCCCC[C@@H](CCC)[N@@H+]1C[C@@H]2CN[C@@H]2C1 ZINC001246932039 804606541 /nfs/dbraw/zinc/60/65/41/804606541.db2.gz OWCLGURYWPIYEC-ARFHVFGLSA-N 1 1 252.446 3.419 20 30 CGEDMO CCCCCCC[C@@H](CCC)[N@H+]1C[C@@H]2CN[C@@H]2C1 ZINC001246932039 804606544 /nfs/dbraw/zinc/60/65/44/804606544.db2.gz OWCLGURYWPIYEC-ARFHVFGLSA-N 1 1 252.446 3.419 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](CC(C)(C)C)C1CCNCC1 ZINC001246948017 804614410 /nfs/dbraw/zinc/61/44/10/804614410.db2.gz ZOGQUUXPCBWFOR-CQSZACIVSA-N 1 1 252.446 3.441 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CC(C)(C)C)C1CCNCC1 ZINC001246948017 804614412 /nfs/dbraw/zinc/61/44/12/804614412.db2.gz ZOGQUUXPCBWFOR-CQSZACIVSA-N 1 1 252.446 3.441 20 30 CGEDMO CC[N@@H+](Cc1cc(Br)ccc1C#N)C1CC1 ZINC001141895000 804678075 /nfs/dbraw/zinc/67/80/75/804678075.db2.gz XOPFTZSGXHMMBV-UHFFFAOYSA-N 1 1 279.181 3.305 20 30 CGEDMO CCCCCCC[N@@H+](C)Cc1ccc(C(=O)OC)o1 ZINC001142624902 804744904 /nfs/dbraw/zinc/74/49/04/804744904.db2.gz SDDZSWMUQUCCQD-UHFFFAOYSA-N 1 1 267.369 3.468 20 30 CGEDMO N#Cc1ccc2c(C[N@H+]3CC[C@H]4CCCO[C@H]4C3)c[nH]c2c1 ZINC001142915405 804783307 /nfs/dbraw/zinc/78/33/07/804783307.db2.gz ACWGUFBBFYCZFD-KDOFPFPSSA-N 1 1 295.386 3.040 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2ccc(Cl)cc2F)no1 ZINC001247621984 804783570 /nfs/dbraw/zinc/78/35/70/804783570.db2.gz CKUZRDCCFLEDFB-NSHDSACASA-N 1 1 281.718 3.495 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2ccc3ncsc3c2)no1 ZINC001247623115 804784194 /nfs/dbraw/zinc/78/41/94/804784194.db2.gz XVZRWBSVWMVXEU-SNVBAGLBSA-N 1 1 286.360 3.312 20 30 CGEDMO CC1(C)[C@@H]2C[N@H+](Cc3c[nH]c4cc(C#N)ccc34)C[C@@H]21 ZINC001142922838 804785195 /nfs/dbraw/zinc/78/51/95/804785195.db2.gz XVYGIWIJOFPPKC-GASCZTMLSA-N 1 1 265.360 3.127 20 30 CGEDMO CCOc1cc(F)c(C[NH+]2CCC(S)CC2)c(F)c1 ZINC001143575539 804867371 /nfs/dbraw/zinc/86/73/71/804867371.db2.gz CURWPDYBMYMTES-UHFFFAOYSA-N 1 1 287.375 3.258 20 30 CGEDMO CO[C@H]1CC[N@H+](Cc2c(Cl)cccc2C#N)[C@H](C)C1 ZINC001143734393 804889404 /nfs/dbraw/zinc/88/94/04/804889404.db2.gz MLYFJDDSYLTNNV-YPMHNXCESA-N 1 1 278.783 3.211 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2c(Cl)cccc2C#N)[C@H](C)C1 ZINC001143734393 804889413 /nfs/dbraw/zinc/88/94/13/804889413.db2.gz MLYFJDDSYLTNNV-YPMHNXCESA-N 1 1 278.783 3.211 20 30 CGEDMO N#Cc1ccc(C2CCC([N@@H+](C3CC3)C3COC3)CC2)cc1 ZINC001257018852 807029176 /nfs/dbraw/zinc/02/91/76/807029176.db2.gz GEDLQEUVNRNGEI-UHFFFAOYSA-N 1 1 296.414 3.448 20 30 CGEDMO C[C@H]1C[C@H](O)CC[N@H+]1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257019224 807029670 /nfs/dbraw/zinc/02/96/70/807029670.db2.gz KRRAZQWTNGARBW-VKDMSYRKSA-N 1 1 298.430 3.430 20 30 CGEDMO Cc1c(O)cccc1C[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001144107617 804935786 /nfs/dbraw/zinc/93/57/86/804935786.db2.gz MSNISYPZHDPWDV-UHFFFAOYSA-N 1 1 278.355 3.131 20 30 CGEDMO Cc1c(O)cccc1C[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001144107617 804935792 /nfs/dbraw/zinc/93/57/92/804935792.db2.gz MSNISYPZHDPWDV-UHFFFAOYSA-N 1 1 278.355 3.131 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@@H+](C(C)C)C1CCN(C)CC1 ZINC001248753161 804984755 /nfs/dbraw/zinc/98/47/55/804984755.db2.gz VEMTUIQLPYQUEZ-UHFFFAOYSA-N 1 1 299.462 3.425 20 30 CGEDMO COc1ccc2c(OC)ccc(C[N@H+](C)CCC#N)c2c1 ZINC001248825555 805008338 /nfs/dbraw/zinc/00/83/38/805008338.db2.gz IALITKOZMFZWOC-UHFFFAOYSA-N 1 1 284.359 3.202 20 30 CGEDMO COc1ccc2c(OC)ccc(C[N@@H+](C)CCC#N)c2c1 ZINC001248825555 805008344 /nfs/dbraw/zinc/00/83/44/805008344.db2.gz IALITKOZMFZWOC-UHFFFAOYSA-N 1 1 284.359 3.202 20 30 CGEDMO C=CCCC[N@H+]1CCC2(CN(C(=O)CC3CCCC3)C2)C1 ZINC001146933372 805098339 /nfs/dbraw/zinc/09/83/39/805098339.db2.gz GXCTUHAEHDOQLM-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cnn(Cc2ccc(OC)cc2)c1 ZINC001249344944 805131688 /nfs/dbraw/zinc/13/16/88/805131688.db2.gz MQNDZDFFRSUZQO-UHFFFAOYSA-N 1 1 297.402 3.114 20 30 CGEDMO C=CC[N@@H+]1CCC2(CN(C(=O)CCCC[C@H](C)CC)C2)C1 ZINC001147636778 805141655 /nfs/dbraw/zinc/14/16/55/805141655.db2.gz NYTQBMNGPDEEMY-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO CC[N@@H+](Cc1cc2ccc(C#N)cc2[nH]1)Cc1ccncc1 ZINC001249426468 805146407 /nfs/dbraw/zinc/14/64/07/805146407.db2.gz SCEMINBSVXOATP-UHFFFAOYSA-N 1 1 290.370 3.457 20 30 CGEDMO CC[C@H]1CCC[N@H+]1Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249429077 805147560 /nfs/dbraw/zinc/14/75/60/805147560.db2.gz MUXWXDOWYNIVOI-HNNXBMFYSA-N 1 1 253.349 3.414 20 30 CGEDMO C=C[C@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@H+](CCC(C)C)C2 ZINC001148095664 805162424 /nfs/dbraw/zinc/16/24/24/805162424.db2.gz NAQWHGHFCDDFFH-HOTGVXAUSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)C(C)(C)CC)C2)C1 ZINC001148167201 805166680 /nfs/dbraw/zinc/16/66/80/805166680.db2.gz BOCUTHDZNIWVHD-HNNXBMFYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C)[C@@H](C)CC)C2)C1 ZINC001148501577 805191546 /nfs/dbraw/zinc/19/15/46/805191546.db2.gz SNMCCOYPFYNBCO-HOTGVXAUSA-N 1 1 292.467 3.169 20 30 CGEDMO N#Cc1cccc(C[N@@H+](C2CCC2)C2CCOCC2)c1F ZINC001249693000 805214265 /nfs/dbraw/zinc/21/42/65/805214265.db2.gz HHRZCZGUOQVRTO-UHFFFAOYSA-N 1 1 288.366 3.231 20 30 CGEDMO Cc1cc(Nc2cc(F)c(C#N)cc2C)c[nH+]c1N ZINC001249791737 805249760 /nfs/dbraw/zinc/24/97/60/805249760.db2.gz IYLJSNWVONXZMW-UHFFFAOYSA-N 1 1 256.284 3.035 20 30 CGEDMO CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)C(F)F ZINC001151469234 805289861 /nfs/dbraw/zinc/28/98/61/805289861.db2.gz OQEIKSSFMAJYES-GFCCVEGCSA-N 1 1 278.387 3.049 20 30 CGEDMO Cc1ccc(C#N)c(Nc2cccc3[nH+]cn(C)c32)c1 ZINC001249902532 805291493 /nfs/dbraw/zinc/29/14/93/805291493.db2.gz OOWZAGBNHHRINC-UHFFFAOYSA-N 1 1 262.316 3.497 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)c1ccccc1C ZINC001151637175 805303094 /nfs/dbraw/zinc/30/30/94/805303094.db2.gz BFVFHVCEFUXXMY-CQSZACIVSA-N 1 1 294.826 3.188 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)c1ccccc1C ZINC001151637175 805303102 /nfs/dbraw/zinc/30/31/02/805303102.db2.gz BFVFHVCEFUXXMY-CQSZACIVSA-N 1 1 294.826 3.188 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)CCC1CCCC1 ZINC001151648811 805305090 /nfs/dbraw/zinc/30/50/90/805305090.db2.gz WGPGQDVMMSBLFR-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)CCCCC ZINC001151938024 805323146 /nfs/dbraw/zinc/32/31/46/805323146.db2.gz VLUXBXBHQCCHSM-OAHLLOKOSA-N 1 1 268.445 3.360 20 30 CGEDMO C=CCCC(=O)NC[C@@H](C)[N@H+](CC)CCCCCC ZINC001152313564 805344347 /nfs/dbraw/zinc/34/43/47/805344347.db2.gz RDRZRTATOLPVDQ-OAHLLOKOSA-N 1 1 268.445 3.360 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001152603844 805356117 /nfs/dbraw/zinc/35/61/17/805356117.db2.gz HDIWMZSZRWSOPP-KBXIAJHMSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001152603844 805356124 /nfs/dbraw/zinc/35/61/24/805356124.db2.gz HDIWMZSZRWSOPP-KBXIAJHMSA-N 1 1 298.858 3.002 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)C1C(C)(C)C1(C)C ZINC001152612050 805358035 /nfs/dbraw/zinc/35/80/35/805358035.db2.gz RMGHOUJMQHNTQT-CYBMUJFWSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)c1cc(C)c(C)o1 ZINC001152770015 805369246 /nfs/dbraw/zinc/36/92/46/805369246.db2.gz VWRNEIBIGDQRHL-CQSZACIVSA-N 1 1 292.423 3.303 20 30 CGEDMO C#CCCCC(=O)NC[C@@H](C)[N@@H+](CC)CCCC(C)(C)C ZINC001153025456 805380654 /nfs/dbraw/zinc/38/06/54/805380654.db2.gz XPICZEBHZHCUGM-MRXNPFEDSA-N 1 1 294.483 3.443 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)CC(C)(C)C1CC1 ZINC001153226416 805387593 /nfs/dbraw/zinc/38/75/93/805387593.db2.gz FMPOJGHMJXVYOU-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC2(CC2)C1 ZINC001153343907 805392964 /nfs/dbraw/zinc/39/29/64/805392964.db2.gz WYDCNYBLZKORGC-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@](C)(F)CCCC ZINC001154078559 805431022 /nfs/dbraw/zinc/43/10/22/805431022.db2.gz MSSCHTNUKXBWDZ-ZBFHGGJFSA-N 1 1 286.435 3.308 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)C1CCCCCCC1 ZINC001154269733 805445138 /nfs/dbraw/zinc/44/51/38/805445138.db2.gz UKYDUYKCPYNDBS-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO Cc1cc[nH+]c(C)c1Nc1ccccc1OCC#N ZINC001212597342 815082048 /nfs/dbraw/zinc/08/20/48/815082048.db2.gz PAFAVMCNKNVIHJ-UHFFFAOYSA-N 1 1 253.305 3.344 20 30 CGEDMO C#CCCCCCC(=O)NC[C@@H](C)[N@H+](CC)CC(=C)Cl ZINC001154605762 805467702 /nfs/dbraw/zinc/46/77/02/805467702.db2.gz QDVCOYSBWOISJU-OAHLLOKOSA-N 1 1 298.858 3.149 20 30 CGEDMO C#CCCCCCC(=O)NC[C@@H](C)[N@@H+](CC)CC(=C)Cl ZINC001154605762 805467708 /nfs/dbraw/zinc/46/77/08/805467708.db2.gz QDVCOYSBWOISJU-OAHLLOKOSA-N 1 1 298.858 3.149 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)C[C@H]1CC=CCC1 ZINC001154631016 805469043 /nfs/dbraw/zinc/46/90/43/805469043.db2.gz GHHCKMNDAJVQKA-CVEARBPZSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)C1CC2(CCC2)C1 ZINC001154715703 805480162 /nfs/dbraw/zinc/48/01/62/805480162.db2.gz USMUNTJCSQAIAF-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)C(CCC)CCC ZINC001154879602 805501631 /nfs/dbraw/zinc/50/16/31/805501631.db2.gz HCKZUWJXNFXGBK-CQSZACIVSA-N 1 1 268.445 3.215 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)C1(C)CC=CC1 ZINC001155027983 805526423 /nfs/dbraw/zinc/52/64/23/805526423.db2.gz GDIUPKAOBGBWME-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C1CCC(=C)CC1 ZINC001155028013 805526738 /nfs/dbraw/zinc/52/67/38/805526738.db2.gz ICYRAULKTUIIRL-CQSZACIVSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C1CCC(=C)CC1 ZINC001155028013 805526743 /nfs/dbraw/zinc/52/67/43/805526743.db2.gz ICYRAULKTUIIRL-CQSZACIVSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)c1ccco1 ZINC001155206272 805556996 /nfs/dbraw/zinc/55/69/96/805556996.db2.gz WQDYSDSQUWZPQJ-CABCVRRESA-N 1 1 292.423 3.176 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)Cc1ccccc1Br ZINC001256843853 806991698 /nfs/dbraw/zinc/99/16/98/806991698.db2.gz ISHJYCFFUCJCHQ-NSHDSACASA-N 1 1 268.198 3.498 20 30 CGEDMO CO[C@@H]1CC[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257017453 807028217 /nfs/dbraw/zinc/02/82/17/807028217.db2.gz UFIOZIBLVWTGNL-DAWZGUTISA-N 1 1 284.403 3.305 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@@H](C)Cc2ccc(C(=O)OCC)cc2)C1 ZINC001257165913 807058160 /nfs/dbraw/zinc/05/81/60/807058160.db2.gz XDOYZECSHLCWSJ-HOTGVXAUSA-N 1 1 299.414 3.140 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@@H](C)Cc2ccc(C(=O)OCC)cc2)C1 ZINC001257165915 807058400 /nfs/dbraw/zinc/05/84/00/807058400.db2.gz XDOYZECSHLCWSJ-JKSUJKDBSA-N 1 1 299.414 3.140 20 30 CGEDMO C=CCOCc1ncn2c1C[N@@H+]([C@@H](CC)CCC)CCC2 ZINC001257259893 807076804 /nfs/dbraw/zinc/07/68/04/807076804.db2.gz PRMOGYFSABRSIW-HNNXBMFYSA-N 1 1 291.439 3.370 20 30 CGEDMO Cc1[nH+]c(N2CCO[C@H](c3ccccc3)C2)ccc1CC#N ZINC001166680797 807081353 /nfs/dbraw/zinc/08/13/53/807081353.db2.gz GDWCUOBXDXLCPR-KRWDZBQOSA-N 1 1 293.370 3.034 20 30 CGEDMO Cc1ccc(CC#N)c(N2CCc3ccsc3C2)[nH+]1 ZINC001166685058 807082320 /nfs/dbraw/zinc/08/23/20/807082320.db2.gz PLHZRIQNFRHPMZ-UHFFFAOYSA-N 1 1 269.373 3.080 20 30 CGEDMO N#Cc1ccc(O[C@@H]2CCC[N@H+](C3CCCC3)C2)cc1 ZINC001257354477 807119816 /nfs/dbraw/zinc/11/98/16/807119816.db2.gz FQIYNMYPXRPCJI-QGZVFWFLSA-N 1 1 270.376 3.344 20 30 CGEDMO C[C@@H](Cc1ccc(Br)cc1)[N@H+]1CC[C@@H](C#N)C1 ZINC001257563529 807198991 /nfs/dbraw/zinc/19/89/91/807198991.db2.gz GKUMRNOFJIQCAY-AAEUAGOBSA-N 1 1 293.208 3.226 20 30 CGEDMO C=C1C[C@@H]2CC(N3CCC[N@H+]4CCC[C@@H]4C3)C[C@H](C1)C2 ZINC001257893311 807242189 /nfs/dbraw/zinc/24/21/89/807242189.db2.gz PYRYRBZFNKKUJY-SOABOVLPSA-N 1 1 274.452 3.291 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3C[C@@H](CO)CC(F)(F)C3)C[C@H](C1)C2 ZINC001257891819 807242864 /nfs/dbraw/zinc/24/28/64/807242864.db2.gz PFOBLDNCXLEHTQ-MBOZISHXSA-N 1 1 285.378 3.071 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3C[C@@H](CO)CC(F)(F)C3)C[C@H](C1)C2 ZINC001257891819 807242869 /nfs/dbraw/zinc/24/28/69/807242869.db2.gz PFOBLDNCXLEHTQ-MBOZISHXSA-N 1 1 285.378 3.071 20 30 CGEDMO CC#Cc1cncc(NCCC[N@H+]2CCCC[C@H]2C)c1 ZINC001167754075 807243332 /nfs/dbraw/zinc/24/33/32/807243332.db2.gz USDMWJFZYVKEEJ-OAHLLOKOSA-N 1 1 271.408 3.129 20 30 CGEDMO C#C[C@H](C)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168022478 807300085 /nfs/dbraw/zinc/30/00/85/807300085.db2.gz SEMWDYWJYOAZBB-CUSZFKRNSA-N 1 1 270.420 3.039 20 30 CGEDMO C#C[C@H](C)[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168022478 807300093 /nfs/dbraw/zinc/30/00/93/807300093.db2.gz SEMWDYWJYOAZBB-CUSZFKRNSA-N 1 1 270.420 3.039 20 30 CGEDMO CCCCCCCCC[C@H](C)[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC001258229226 807376468 /nfs/dbraw/zinc/37/64/68/807376468.db2.gz OJVJJTNDABJWIO-BBWFWOEESA-N 1 1 285.472 3.191 20 30 CGEDMO CCCCCCCCC[C@H](C)[N@H+]1CCO[C@@H](CO)C1 ZINC001258228542 807377180 /nfs/dbraw/zinc/37/71/80/807377180.db2.gz IHAMMFRXMXBUTL-JKSUJKDBSA-N 1 1 271.445 3.209 20 30 CGEDMO CCCCCCCCC[C@H](C)[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC001258229229 807377611 /nfs/dbraw/zinc/37/76/11/807377611.db2.gz OJVJJTNDABJWIO-YESZJQIVSA-N 1 1 285.472 3.191 20 30 CGEDMO N#CCCCCNc1c[nH+]c2c(Br)cccn12 ZINC001168433566 807414509 /nfs/dbraw/zinc/41/45/09/807414509.db2.gz GCQHNMTZTLSXOO-UHFFFAOYSA-N 1 1 293.168 3.203 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+]([C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001168441804 807415167 /nfs/dbraw/zinc/41/51/67/807415167.db2.gz QTJHGAMMYABNFU-SUMWQHHRSA-N 1 1 272.367 3.309 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)[C@@H](C)CCC(=O)OC ZINC001258368715 807430227 /nfs/dbraw/zinc/43/02/27/807430227.db2.gz ADARXWNORYONMR-HNNXBMFYSA-N 1 1 275.392 3.406 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@@H](C)CCc2ccc(OC)cc2)C1 ZINC001258408957 807442768 /nfs/dbraw/zinc/44/27/68/807442768.db2.gz PGDMYPRKWPYRRW-JKSUJKDBSA-N 1 1 271.404 3.362 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](C2CCN(c3cccc(F)c3)CC2)C1 ZINC001258428227 807447182 /nfs/dbraw/zinc/44/71/82/807447182.db2.gz VLHDWTPMHLOZTM-KRWDZBQOSA-N 1 1 287.382 3.030 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039898 807557120 /nfs/dbraw/zinc/55/71/20/807557120.db2.gz VOTYNUQEHLGBLM-CVEARBPZSA-N 1 1 274.364 3.120 20 30 CGEDMO C=CCC[C@H](C)[NH2+][C@H](C(=O)OCC=C)[C@@H](C)CC ZINC001258718148 807567933 /nfs/dbraw/zinc/56/79/33/807567933.db2.gz IBHAVHVOUKJUFK-IHRRRGAJSA-N 1 1 253.386 3.075 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC001258729675 807575823 /nfs/dbraw/zinc/57/58/23/807575823.db2.gz WTGQXLWGJBEANP-SOUVJXGZSA-N 1 1 294.439 3.425 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1Cc2nn(CC)cc2[C@@H](COCC)C1 ZINC001258728904 807576649 /nfs/dbraw/zinc/57/66/49/807576649.db2.gz RIRPGYLLJKZTNI-HUUCEWRRSA-N 1 1 291.439 3.193 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CCn2cc(C(F)(F)F)nc2C1 ZINC001258734583 807580393 /nfs/dbraw/zinc/58/03/93/807580393.db2.gz FTAHAQWLBNCCIL-JTQLQIEISA-N 1 1 273.302 3.072 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCn2cc(C(F)(F)F)nc2C1 ZINC001258734583 807580398 /nfs/dbraw/zinc/58/03/98/807580398.db2.gz FTAHAQWLBNCCIL-JTQLQIEISA-N 1 1 273.302 3.072 20 30 CGEDMO C=CCC[C@H](C)[NH+]1CC(Oc2ccc(F)c(F)c2)C1 ZINC001258735618 807580410 /nfs/dbraw/zinc/58/04/10/807580410.db2.gz XXPAKEAPHDQVPJ-NSHDSACASA-N 1 1 267.319 3.383 20 30 CGEDMO CCCN1CCC([NH2+][C@@H]2CCc3c2cccc3C#N)CC1 ZINC001258769205 807603724 /nfs/dbraw/zinc/60/37/24/807603724.db2.gz HBNPEBMBAGJOID-GOSISDBHSA-N 1 1 283.419 3.010 20 30 CGEDMO C=CC[C@@](C)([NH2+]C1CCC(C(C)C)CC1)C(=O)OC ZINC001258801652 807623033 /nfs/dbraw/zinc/62/30/33/807623033.db2.gz IOLVVAMTOQUVJC-ZBCRRDGASA-N 1 1 267.413 3.299 20 30 CGEDMO Cc1ccc(C(=NO)Nc2cc[nH+]c3cc(C)ccc23)nc1 ZINC001169410829 807639207 /nfs/dbraw/zinc/63/92/07/807639207.db2.gz BGKPSIAVDNMOLD-UHFFFAOYSA-N 1 1 292.342 3.495 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)CC(=O)N(CC)CC ZINC001169483760 807650553 /nfs/dbraw/zinc/65/05/53/807650553.db2.gz GBCRYXYCFLMCRB-MRXNPFEDSA-N 1 1 288.435 3.322 20 30 CGEDMO COc1ccccc1C[C@@H](C)[N@H+]1CCC[C@H](C#N)CC1 ZINC001258893396 807666478 /nfs/dbraw/zinc/66/64/78/807666478.db2.gz IQTXBWRDIDCKBL-CABCVRRESA-N 1 1 272.392 3.252 20 30 CGEDMO CCCCCCC[N@@H+](CC)[C@H]1CCCN(C(C)=O)C1 ZINC001169616777 807675478 /nfs/dbraw/zinc/67/54/78/807675478.db2.gz YUEWZWHTKZYVGI-INIZCTEOSA-N 1 1 268.445 3.290 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(C)=O)C1 ZINC001169616654 807675703 /nfs/dbraw/zinc/67/57/03/807675703.db2.gz LTEFHZRJNOAIKP-SFHVURJKSA-N 1 1 286.419 3.076 20 30 CGEDMO C=CCCCC[N@H+](C)[C@H]1CCCN(C(=O)OCC)CC1 ZINC001169705647 807694525 /nfs/dbraw/zinc/69/45/25/807694525.db2.gz IVGWGMCUHRSARJ-HNNXBMFYSA-N 1 1 282.428 3.286 20 30 CGEDMO C[NH+](C)C=Cc1ccncc1NC1=CC(=O)CC(C)(C)C1 ZINC001169953003 807729401 /nfs/dbraw/zinc/72/94/01/807729401.db2.gz KNBZIGFEXIBMMV-SOFGYWHQSA-N 1 1 285.391 3.299 20 30 CGEDMO C=CC[C@@](C)([NH2+][C@@H](C)CCCC(C)C)C(=O)OC ZINC001170072883 807748095 /nfs/dbraw/zinc/74/80/95/807748095.db2.gz DNXJQRWYHNBUSB-DZGCQCFKSA-N 1 1 255.402 3.299 20 30 CGEDMO CC[N@H+]1CCC[C@H](CNc2c(Cl)cccc2C#N)C1 ZINC001261647900 807772875 /nfs/dbraw/zinc/77/28/75/807772875.db2.gz LRVDYHWWLXYRAO-GFCCVEGCSA-N 1 1 277.799 3.355 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@@H](CC)c2ccc(F)cc2)nn1 ZINC001261670923 807777203 /nfs/dbraw/zinc/77/72/03/807777203.db2.gz AMBSIKDWQISSKR-INIZCTEOSA-N 1 1 288.370 3.234 20 30 CGEDMO N#CCC1CC[NH+](Cc2nc(-c3ccccc3)c[nH]2)CC1 ZINC001261829400 807790787 /nfs/dbraw/zinc/79/07/87/807790787.db2.gz OKYFDVVOBMRHKF-UHFFFAOYSA-N 1 1 280.375 3.202 20 30 CGEDMO CC[C@H]1C[C@@H]([N@@H+](CCC#N)Cc2ccccc2)CCO1 ZINC001170204030 807795071 /nfs/dbraw/zinc/79/50/71/807795071.db2.gz ODNZAYKVFGUMRS-IRXDYDNUSA-N 1 1 272.392 3.360 20 30 CGEDMO CC[C@H]1C[C@H]([N@@H+](CCC#N)Cc2ccccc2)CCO1 ZINC001170204031 807795422 /nfs/dbraw/zinc/79/54/22/807795422.db2.gz ODNZAYKVFGUMRS-SJORKVTESA-N 1 1 272.392 3.360 20 30 CGEDMO C=CC[NH+]1CCN([C@H](C)Cc2ccccc2Cl)CC1 ZINC001170286385 807813667 /nfs/dbraw/zinc/81/36/67/807813667.db2.gz YCFNCOOTKRZRCX-CQSZACIVSA-N 1 1 278.827 3.075 20 30 CGEDMO C[C@@H]1C[N@H+](C[C@@H]2CCCC(C)(C)C2)C[C@H](C)N1CC#N ZINC001262112509 807826010 /nfs/dbraw/zinc/82/60/10/807826010.db2.gz LGRGTWQVLMTWFY-OWCLPIDISA-N 1 1 277.456 3.121 20 30 CGEDMO C[C@@H]1CC[C@@H](O)C[N@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170379148 807832076 /nfs/dbraw/zinc/83/20/76/807832076.db2.gz RKJLYAFWGAMEQY-ZTRSQXPZSA-N 1 1 298.430 3.236 20 30 CGEDMO C[C@@H]1COCC[N@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170379179 807832184 /nfs/dbraw/zinc/83/21/84/807832184.db2.gz SGMJILJIGUEMQZ-FAEJEUNOSA-N 1 1 284.403 3.111 20 30 CGEDMO CC[N@@H+](C1COC1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170388756 807834603 /nfs/dbraw/zinc/83/46/03/807834603.db2.gz CQIRYDDEFPTXKU-UHFFFAOYSA-N 1 1 284.403 3.111 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@@H]1CC[C@@H](C(=O)OC)C1 ZINC001170548075 807853672 /nfs/dbraw/zinc/85/36/72/807853672.db2.gz BUMGQYZJOOCURF-ZIAGYGMSSA-N 1 1 255.402 3.230 20 30 CGEDMO COc1cccc(F)c1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC001262484777 807868211 /nfs/dbraw/zinc/86/82/11/807868211.db2.gz LZGJQUWBMWJZLE-KRWDZBQOSA-N 1 1 296.345 3.483 20 30 CGEDMO CCCCCCCCCC[N@H+]1CCCN(C=O)CC1 ZINC001170631263 807868353 /nfs/dbraw/zinc/86/83/53/807868353.db2.gz BYPKIWVRQPCORP-UHFFFAOYSA-N 1 1 268.445 3.291 20 30 CGEDMO N#CC[C@H]1CCC[N@H+]([C@@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170701614 807878446 /nfs/dbraw/zinc/87/84/46/807878446.db2.gz QWXACDJGJMXXAB-IUODEOHRSA-N 1 1 290.357 3.448 20 30 CGEDMO C=C(C)CCC(=O)N1CC[NH2+][C@@H](c2ccc(CC)cc2)C1 ZINC001262623405 807879461 /nfs/dbraw/zinc/87/94/61/807879461.db2.gz BHECWMFGSCCJFV-QGZVFWFLSA-N 1 1 286.419 3.078 20 30 CGEDMO COC(=O)c1ccc(C(=[NH2+])Nc2ccc3ccoc3c2)cc1 ZINC001170984778 807952184 /nfs/dbraw/zinc/95/21/84/807952184.db2.gz ZVXWNKFUVPGDAM-UHFFFAOYSA-N 1 1 294.310 3.256 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCc2cccc(F)c2C1 ZINC001171000921 807956311 /nfs/dbraw/zinc/95/63/11/807956311.db2.gz NMEXSNKMIRFDKJ-DMRZNYOFSA-N 1 1 284.378 3.450 20 30 CGEDMO N#C[C@H]1CC=C(Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001212860695 815163208 /nfs/dbraw/zinc/16/32/08/815163208.db2.gz DEWWAIOEGSQTTQ-HNNXBMFYSA-N 1 1 297.402 3.138 20 30 CGEDMO CC[N@@H+](CCC#N)[C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171128281 807993484 /nfs/dbraw/zinc/99/34/84/807993484.db2.gz GOWFIDYUJFGUKI-OAHLLOKOSA-N 1 1 262.784 3.433 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001171224440 808012445 /nfs/dbraw/zinc/01/24/45/808012445.db2.gz ROWPNDPIBGBIRR-QLFBSQMISA-N 1 1 256.393 3.467 20 30 CGEDMO CC[N@H+](Cc1occc1C)C[C@H](O)c1cccc(C#N)c1 ZINC001171240783 808015751 /nfs/dbraw/zinc/01/57/51/808015751.db2.gz VKAOCCHPQVMGIY-INIZCTEOSA-N 1 1 284.359 3.015 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@H]1c1ncccn1 ZINC001171233913 808015944 /nfs/dbraw/zinc/01/59/44/808015944.db2.gz HRHOVWCXKQCBEW-PBHICJAKSA-N 1 1 292.386 3.116 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCC(C)C)[C@H]1CC ZINC001264044011 808029656 /nfs/dbraw/zinc/02/96/56/808029656.db2.gz BFYWKPGTVKGNBS-JKSUJKDBSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@](C)(F)CCCC)[C@H]1CC ZINC001264057108 808031837 /nfs/dbraw/zinc/03/18/37/808031837.db2.gz OUODWYCWGRRBBM-SQWLQELKSA-N 1 1 284.419 3.060 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001171386988 808040158 /nfs/dbraw/zinc/04/01/58/808040158.db2.gz HIVCMGKRQBMVGE-DOMZBBRYSA-N 1 1 275.342 3.167 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC[C@@H](C)CC)[C@H]1C ZINC001264164955 808042499 /nfs/dbraw/zinc/04/24/99/808042499.db2.gz TWGJHGNCCLDBBX-YUTCNCBUSA-N 1 1 286.847 3.144 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC[C@@H](C)CC)[C@H]1C ZINC001264164955 808042508 /nfs/dbraw/zinc/04/25/08/808042508.db2.gz TWGJHGNCCLDBBX-YUTCNCBUSA-N 1 1 286.847 3.144 20 30 CGEDMO C=CCCCC(=O)N(C)C[C@H]1CC[N@H+]1CCC(C)(C)C ZINC001264371408 808060604 /nfs/dbraw/zinc/06/06/04/808060604.db2.gz VKBLUALQGCGREZ-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)CC/C=C\c1ccccc1 ZINC001264372786 808063581 /nfs/dbraw/zinc/06/35/81/808063581.db2.gz MHYQZUQQBGSKQQ-VTSXBNNFSA-N 1 1 298.430 3.199 20 30 CGEDMO N#Cc1ccc(OCCNc2cc3[nH+]c[nH]c3cc2F)cc1 ZINC001171484186 808073611 /nfs/dbraw/zinc/07/36/11/808073611.db2.gz FVNRGJQQEZLZLE-UHFFFAOYSA-N 1 1 296.305 3.065 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CCCCC)[C@H]1CC ZINC001264600613 808079686 /nfs/dbraw/zinc/07/96/86/808079686.db2.gz YBVVDGCPJAWDIZ-LSDHHAIUSA-N 1 1 266.429 3.112 20 30 CGEDMO C=CCn1ccc2c1nc[nH+]c2NC(C)(C)c1ccncc1 ZINC001171513833 808084017 /nfs/dbraw/zinc/08/40/17/808084017.db2.gz SDGZCPCAKKOYMN-UHFFFAOYSA-N 1 1 293.374 3.360 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](CCCCCF)[C@@H]1C ZINC001264721092 808088005 /nfs/dbraw/zinc/08/80/05/808088005.db2.gz FTYDWKBVBMPLAT-CABCVRRESA-N 1 1 298.446 3.308 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[C@H]1C=CCC1 ZINC001264738144 808089557 /nfs/dbraw/zinc/08/95/57/808089557.db2.gz SAPNFGDXJYCMQW-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCNC(=O)c1ccccc1CC ZINC001265028873 808104891 /nfs/dbraw/zinc/10/48/91/808104891.db2.gz MOFUNBOHFSWBCM-UHFFFAOYSA-N 1 1 288.435 3.267 20 30 CGEDMO C=CCC[N@H+](C)CCCNC(=O)[C@H](C)c1cccc(C)c1 ZINC001265042291 808106615 /nfs/dbraw/zinc/10/66/15/808106615.db2.gz VKLHWSWIQGIBJP-MRXNPFEDSA-N 1 1 288.435 3.113 20 30 CGEDMO C#Cc1cccc(CNC2CC(C)(C)[NH+](C)C(C)(C)C2)c1 ZINC001171622907 808106854 /nfs/dbraw/zinc/10/68/54/808106854.db2.gz CKANZMVNJKWJLJ-UHFFFAOYSA-N 1 1 284.447 3.409 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCCC[N@H+](CC)C/C=C/Cl ZINC001265125911 808110583 /nfs/dbraw/zinc/11/05/83/808110583.db2.gz FFJUJWWWDCVMNQ-VQHVLOKHSA-N 1 1 286.847 3.169 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)[C@H]1CCCC2(CC2)C1 ZINC001265113718 808111539 /nfs/dbraw/zinc/11/15/39/808111539.db2.gz XQWRGYHOURWCLG-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)CCCC)C1 ZINC001265212944 808120663 /nfs/dbraw/zinc/12/06/63/808120663.db2.gz IWHKJNDJHWMGBB-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CCC[N@@H+](CCCCCF)C1 ZINC001265227587 808122514 /nfs/dbraw/zinc/12/25/14/808122514.db2.gz YZBOORBAOHCKEK-HNNXBMFYSA-N 1 1 298.446 3.309 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CCCCCF)C1 ZINC001265227588 808122707 /nfs/dbraw/zinc/12/27/07/808122707.db2.gz YZBOORBAOHCKEK-OAHLLOKOSA-N 1 1 298.446 3.309 20 30 CGEDMO C[C@H]1C[C@H](N2CCC(S)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171761584 808132173 /nfs/dbraw/zinc/13/21/73/808132173.db2.gz DLPSLLDYPCFFNJ-HOCLYGCPSA-N 1 1 290.476 3.044 20 30 CGEDMO C[C@H]1C[C@H](N2CCC(S)CC2)C[N@H+]1Cc1ccccc1 ZINC001171761584 808132177 /nfs/dbraw/zinc/13/21/77/808132177.db2.gz DLPSLLDYPCFFNJ-HOCLYGCPSA-N 1 1 290.476 3.044 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)CC2(C)CC2)C1 ZINC001265392857 808138710 /nfs/dbraw/zinc/13/87/10/808138710.db2.gz NCTHCZDJLAMXNO-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1Cc2cccc(F)c2C1 ZINC001171809734 808145508 /nfs/dbraw/zinc/14/55/08/808145508.db2.gz MGULJUBDNOKUTH-INIZCTEOSA-N 1 1 280.346 3.297 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCC[C@@H]2C[N@@H+](CC)CC[C@@H]21 ZINC001265524451 808151260 /nfs/dbraw/zinc/15/12/60/808151260.db2.gz XYWILGNPEYQHQR-SJORKVTESA-N 1 1 290.451 3.088 20 30 CGEDMO CC(C)(C)OC(=O)C1CCC([N@H+]2CC[C@](C)(C#N)C2)CC1 ZINC001171933659 808156157 /nfs/dbraw/zinc/15/61/57/808156157.db2.gz ZSBNYMBBQZAGPY-MQBCKMQZSA-N 1 1 292.423 3.122 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](CNC(=O)/C(C)=C/CC)C1 ZINC001265577239 808156435 /nfs/dbraw/zinc/15/64/35/808156435.db2.gz DUWQBQJGDLLZTJ-HTRKUNOGSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@H]1CCC[N@H+](CC(=C)Cl)C1 ZINC001265588985 808158167 /nfs/dbraw/zinc/15/81/67/808158167.db2.gz LHUYGXWZDNKWIC-HUUCEWRRSA-N 1 1 298.858 3.169 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@H]1CCC[N@@H+](CC(=C)Cl)C1 ZINC001265588985 808158169 /nfs/dbraw/zinc/15/81/69/808158169.db2.gz LHUYGXWZDNKWIC-HUUCEWRRSA-N 1 1 298.858 3.169 20 30 CGEDMO C=C/C(C)=C\CC(=O)NC[C@H]1CCC[N@H+](CCC(=C)C)C1 ZINC001265589208 808158804 /nfs/dbraw/zinc/15/88/04/808158804.db2.gz OEDUFXDWSUAUHA-QOTSWMAJSA-N 1 1 290.451 3.303 20 30 CGEDMO C=CCCCC(=O)NC[C@@H]1CCCC[N@@H+]1CCC(=C)C ZINC001265651979 808164988 /nfs/dbraw/zinc/16/49/88/808164988.db2.gz QEHCSAOVTPVUEP-INIZCTEOSA-N 1 1 278.440 3.280 20 30 CGEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H](CC)CCCC ZINC001265650084 808165078 /nfs/dbraw/zinc/16/50/78/808165078.db2.gz ZNBBNZPFARCJBR-IAGOWNOFSA-N 1 1 292.467 3.197 20 30 CGEDMO C#CCN(C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172074659 808170092 /nfs/dbraw/zinc/17/00/92/808170092.db2.gz JMYISPPBEDJFLL-BWTSREIZSA-N 1 1 282.431 3.137 20 30 CGEDMO C#CC[N@@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172074659 808170108 /nfs/dbraw/zinc/17/01/08/808170108.db2.gz JMYISPPBEDJFLL-BWTSREIZSA-N 1 1 282.431 3.137 20 30 CGEDMO C#CC[N@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172074659 808170111 /nfs/dbraw/zinc/17/01/11/808170111.db2.gz JMYISPPBEDJFLL-BWTSREIZSA-N 1 1 282.431 3.137 20 30 CGEDMO C[C@@H](C#N)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077041 808170923 /nfs/dbraw/zinc/17/09/23/808170923.db2.gz ONGJWOMZEMVXCT-OWLYRPNTSA-N 1 1 283.419 3.074 20 30 CGEDMO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CCCCCCS)C2 ZINC001172111853 808178621 /nfs/dbraw/zinc/17/86/21/808178621.db2.gz XEEBJTIZSBMQDA-QDMKHBRRSA-N 1 1 270.486 3.082 20 30 CGEDMO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CCCCCCS)C2 ZINC001172111854 808179356 /nfs/dbraw/zinc/17/93/56/808179356.db2.gz XEEBJTIZSBMQDA-QKDCVEJESA-N 1 1 270.486 3.082 20 30 CGEDMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N(CCC#N)Cc1ccccc1)C2 ZINC001172114670 808180757 /nfs/dbraw/zinc/18/07/57/808180757.db2.gz RYPYLZVYIRRRDI-BWTSREIZSA-N 1 1 297.446 3.418 20 30 CGEDMO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+](C)Cc1ccc(C#N)cc1)C2 ZINC001172121997 808182843 /nfs/dbraw/zinc/18/28/43/808182843.db2.gz OQORWFMJIJLKJA-PIIMJCKOSA-N 1 1 283.419 3.005 20 30 CGEDMO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+](C)Cc1ccc(C#N)cc1)C2 ZINC001172121997 808182847 /nfs/dbraw/zinc/18/28/47/808182847.db2.gz OQORWFMJIJLKJA-PIIMJCKOSA-N 1 1 283.419 3.005 20 30 CGEDMO CCCCCCC[N@@H+](CC)[C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172178741 808190274 /nfs/dbraw/zinc/19/02/74/808190274.db2.gz OCFCVIWGFPTBFV-HOTGVXAUSA-N 1 1 280.456 3.432 20 30 CGEDMO C=CCC[N@@H+](CC)CCCNC(=O)C1CCC(=C)CC1 ZINC001266080069 808207797 /nfs/dbraw/zinc/20/77/97/808207797.db2.gz CNPJRRUVLDMOSW-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]([N@@H+](C)CCCCCF)C1 ZINC001266103634 808210835 /nfs/dbraw/zinc/21/08/35/808210835.db2.gz UPNZFDNEUUFEBD-INIZCTEOSA-N 1 1 298.446 3.405 20 30 CGEDMO C#CCC[N@H+](CC)CCCNC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001266102817 808211960 /nfs/dbraw/zinc/21/19/60/808211960.db2.gz JOTBJIDJWMCDJU-QAQDUYKDSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]([N@H+](C)C[C@H](F)CC)C1 ZINC001266110177 808212745 /nfs/dbraw/zinc/21/27/45/808212745.db2.gz CBEDNGVQTHDTLJ-HUUCEWRRSA-N 1 1 284.419 3.014 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)CC(C)=C(C)C)C1 ZINC001266107374 808213029 /nfs/dbraw/zinc/21/30/29/808213029.db2.gz BOBHOEQEMUCPEU-MRXNPFEDSA-N 1 1 278.440 3.232 20 30 CGEDMO CCC[N@@H+]([C@H](C)Cc1ccc(C#N)cc1)C1CCOCC1 ZINC001172310230 808222991 /nfs/dbraw/zinc/22/29/91/808222991.db2.gz FDVXIUNJLUVXDQ-OAHLLOKOSA-N 1 1 286.419 3.380 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)CCc1ccccn1 ZINC001172309077 808223117 /nfs/dbraw/zinc/22/31/17/808223117.db2.gz QAZKRFZNNPHWTL-OAHLLOKOSA-N 1 1 279.387 3.059 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@](C)(F)[C@@H](F)C1 ZINC001172311945 808223919 /nfs/dbraw/zinc/22/39/19/808223919.db2.gz CNPDFHGKYSOUAB-UHOFOFEASA-N 1 1 278.346 3.261 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC001172320395 808229646 /nfs/dbraw/zinc/22/96/46/808229646.db2.gz VARZSEIKTZWDGI-PBHICJAKSA-N 1 1 267.376 3.115 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H](CC)CCC)C1 ZINC001266243189 808231993 /nfs/dbraw/zinc/23/19/93/808231993.db2.gz OTUKLWFAFNSCLJ-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@@H+](CCC3CC3)C2)CCCC1 ZINC001266363429 808249776 /nfs/dbraw/zinc/24/97/76/808249776.db2.gz IRYPYCGGSAHURY-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@H]2CNC(=O)[C@H]2C1 ZINC001172355924 808250711 /nfs/dbraw/zinc/25/07/11/808250711.db2.gz SESXEAFTBKXCBT-JYJNAYRXSA-N 1 1 280.456 3.193 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CC[C@H]2CNC(=O)[C@H]2C1 ZINC001172355925 808250799 /nfs/dbraw/zinc/25/07/99/808250799.db2.gz SESXEAFTBKXCBT-XHSDSOJGSA-N 1 1 280.456 3.193 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)C(C)=C1CCC1 ZINC001266461045 808268489 /nfs/dbraw/zinc/26/84/89/808268489.db2.gz IIODOWKKSBNOGD-YOEHRIQHSA-N 1 1 290.451 3.422 20 30 CGEDMO C[C@@H]1CC[C@H]([N@H+]2CCC3SC(=O)C=C3C2)C[C@@H]1C ZINC001172374953 808270508 /nfs/dbraw/zinc/27/05/08/808270508.db2.gz QMTIAUORGOZJQV-XWUBHJNHSA-N 1 1 265.422 3.085 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H]1CCC[N@H+]1CC1CC(C)(C)C1 ZINC001266464904 808271404 /nfs/dbraw/zinc/27/14/04/808271404.db2.gz KWMXLKVWBNAEKJ-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)C(C)C)C1 ZINC001266469890 808272715 /nfs/dbraw/zinc/27/27/15/808272715.db2.gz VPNLALIPRXNNRB-CVEARBPZSA-N 1 1 280.456 3.025 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@](C)(F)CCCC)C1 ZINC001266520426 808280998 /nfs/dbraw/zinc/28/09/98/808280998.db2.gz MYIOLMRMRNXOLC-DOTOQJQBSA-N 1 1 298.446 3.309 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)C(C)(C)CC)C1 ZINC001266528662 808282707 /nfs/dbraw/zinc/28/27/07/808282707.db2.gz VLDNENNONVNXPC-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO CCC[N@@H+](CCNC(=O)C#CC(C)C)CC1CCCCC1 ZINC001266560767 808287102 /nfs/dbraw/zinc/28/71/02/808287102.db2.gz WDJDJGPUBRIAML-UHFFFAOYSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@H](CC)CC(C)C)C1 ZINC001172401652 808290064 /nfs/dbraw/zinc/29/00/64/808290064.db2.gz GIQPGPGQRKCWKE-HUUCEWRRSA-N 1 1 282.428 3.188 20 30 CGEDMO C=C(C)CC[N@@H+](CCNC(=O)C=C1CCCCC1)C1CC1 ZINC001266586254 808291626 /nfs/dbraw/zinc/29/16/26/808291626.db2.gz RDKJHDFRYGYJQG-UHFFFAOYSA-N 1 1 290.451 3.424 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1CCC[N@H+](CC[C@@H](C)F)C1 ZINC001266758419 808313292 /nfs/dbraw/zinc/31/32/92/808313292.db2.gz SKFFVNHBAHJGOI-HUUCEWRRSA-N 1 1 298.446 3.165 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC[C@H](C)F ZINC001266845399 808324079 /nfs/dbraw/zinc/32/40/79/808324079.db2.gz YADSZPYTCPKPPS-GJZGRUSLSA-N 1 1 284.419 3.062 20 30 CGEDMO CCC[C@H]([NH2+][C@@H](C)CCCC#N)C(=O)OC(C)(C)C ZINC001172485688 808347144 /nfs/dbraw/zinc/34/71/44/808347144.db2.gz SHWQCIXQCWTACB-STQMWFEESA-N 1 1 268.401 3.169 20 30 CGEDMO COc1ccc2c(c1)C[N@@H+]([C@H](C)CCCC#N)CC2 ZINC001172492452 808352075 /nfs/dbraw/zinc/35/20/75/808352075.db2.gz LKXWHYOUKASKSG-CYBMUJFWSA-N 1 1 258.365 3.136 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)C2C(C)(C)C2(C)C)C1 ZINC001267102008 808357787 /nfs/dbraw/zinc/35/77/87/808357787.db2.gz BJIFOVXRVIVTLU-AWEZNQCLSA-N 1 1 292.467 3.168 20 30 CGEDMO C[C@@H](CCCC#N)[N@@H+](Cc1cccnc1)C1CCOCC1 ZINC001172504549 808360502 /nfs/dbraw/zinc/36/05/02/808360502.db2.gz GZLPKNUHNLSWJN-HNNXBMFYSA-N 1 1 287.407 3.145 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCOC[C@H]1Cc1ccccc1 ZINC001172510152 808366026 /nfs/dbraw/zinc/36/60/26/808366026.db2.gz WIJYMQSIDKQIEX-NVXWUHKLSA-N 1 1 272.392 3.012 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)C1(CF)CCC1 ZINC001267173494 808373395 /nfs/dbraw/zinc/37/33/95/808373395.db2.gz AAXRHWYXTGLFLP-OAHLLOKOSA-N 1 1 296.430 3.063 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001267214534 808383565 /nfs/dbraw/zinc/38/35/65/808383565.db2.gz BDYPFVAMRYDRQL-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C#Cc1ccc(C(=O)NCC[N@H+](CC)CC/C=C\CC)cc1 ZINC001267247570 808394506 /nfs/dbraw/zinc/39/45/06/808394506.db2.gz ROXYGGINVMDHBA-FPLPWBNLSA-N 1 1 298.430 3.076 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)c1ccc(C)c(F)c1 ZINC001267245684 808395124 /nfs/dbraw/zinc/39/51/24/808395124.db2.gz QYZAJKUMLGGXIJ-UHFFFAOYSA-N 1 1 292.398 3.152 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1CC[N@H+](C[C@H](C)CC)C1 ZINC001267298706 808406695 /nfs/dbraw/zinc/40/66/95/808406695.db2.gz QWKZFCLTLSTJAY-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001267305834 808408460 /nfs/dbraw/zinc/40/84/60/808408460.db2.gz CVZZVHLOOGUYTL-GJZGRUSLSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001267308035 808409726 /nfs/dbraw/zinc/40/97/26/808409726.db2.gz YQLONKWPOJIPNA-ULQDDVLXSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)C1(C)CCCCC1)C(C)C ZINC001267319913 808414462 /nfs/dbraw/zinc/41/44/62/808414462.db2.gz WCBAHEZLJUSAEF-UHFFFAOYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H](C)F ZINC001267428713 808425424 /nfs/dbraw/zinc/42/54/24/808425424.db2.gz ZDMALOJFDZQLLM-KFWWJZLASA-N 1 1 296.430 3.012 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CCC)C(=O)C=C2CCC2)C1 ZINC001267453478 808428261 /nfs/dbraw/zinc/42/82/61/808428261.db2.gz CWRZUUFQNBLDNH-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CC[N@H+]([C@@H](C)CCC(=O)OC(C)C)C(C)(C)C ZINC001172762543 808432614 /nfs/dbraw/zinc/43/26/14/808432614.db2.gz MHNDWGKDKGMJPE-ZDUSSCGKSA-N 1 1 255.402 3.393 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H](CNC(C)=O)c1ccc(C(C)C)cc1 ZINC001267512151 808436365 /nfs/dbraw/zinc/43/63/65/808436365.db2.gz BUPFGMAXSZZQHL-INIZCTEOSA-N 1 1 294.826 3.329 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H](C)CC)C1 ZINC001267539890 808442633 /nfs/dbraw/zinc/44/26/33/808442633.db2.gz VKLZWVLZFZOKSU-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](CCNC(=O)C=C(C)C)C1 ZINC001267549466 808444823 /nfs/dbraw/zinc/44/48/23/808444823.db2.gz FACPWDPVLHFYRS-HOTGVXAUSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCC2(C)C)C1 ZINC001267565322 808447295 /nfs/dbraw/zinc/44/72/95/808447295.db2.gz ZMVSYGSEPHHPKG-JKSUJKDBSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)C2(C)CC(=C)C2)C1 ZINC001267571145 808449557 /nfs/dbraw/zinc/44/95/57/808449557.db2.gz WOBYOLBCPYULKP-MRXNPFEDSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CC[N@H+](C)CC1CCN(C(=O)CC2(C)CC2)CC1 ZINC001267599965 808454763 /nfs/dbraw/zinc/45/47/63/808454763.db2.gz IURZSFRMYGPGRB-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC(=O)N1CCC(C[N@H+](C)C[C@H](C)CC)CC1 ZINC001267598229 808455637 /nfs/dbraw/zinc/45/56/37/808455637.db2.gz XGVGTNQEGPQOGJ-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)CCC(=O)N1CCC(C[N@H+](C)C[C@H](F)CC)CC1 ZINC001267599066 808455736 /nfs/dbraw/zinc/45/57/36/808455736.db2.gz AXZMUJFGJMRRJT-MRXNPFEDSA-N 1 1 298.446 3.261 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)CC(C)C)C1 ZINC001267596369 808455780 /nfs/dbraw/zinc/45/57/80/808455780.db2.gz YSXVXTNERHMLLT-INIZCTEOSA-N 1 1 294.483 3.463 20 30 CGEDMO C#CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC)CCCC)C1 ZINC001267633378 808461951 /nfs/dbraw/zinc/46/19/51/808461951.db2.gz XWERQBLNCCLXKF-SJORKVTESA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)=C2CCC2)C1 ZINC001267646885 808464562 /nfs/dbraw/zinc/46/45/62/808464562.db2.gz SKCFRHLXABGCOK-INIZCTEOSA-N 1 1 290.451 3.233 20 30 CGEDMO C#CC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@@H](C)CCCCC)C1 ZINC001267689263 808471188 /nfs/dbraw/zinc/47/11/88/808471188.db2.gz CPZHHMDQFMWRPO-IRXDYDNUSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)c2cc(C)c(C)o2)C1 ZINC001267721484 808476575 /nfs/dbraw/zinc/47/65/75/808476575.db2.gz BFFGOFPWFKLOMT-ZFWWWQNUSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2F)C1 ZINC001267739124 808480995 /nfs/dbraw/zinc/48/09/95/808480995.db2.gz YITAHRGYZPYAPH-UONOGXRCSA-N 1 1 290.382 3.043 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2occc2Cl)C1 ZINC001267749484 808482504 /nfs/dbraw/zinc/48/25/04/808482504.db2.gz QUFVSCUPTGMBSJ-VXGBXAGGSA-N 1 1 296.798 3.092 20 30 CGEDMO C=CCCCC(=O)N(CC)[C@@H]1CC[N@@H+](CC2CC(C)C2)C1 ZINC001267788639 808492235 /nfs/dbraw/zinc/49/22/35/808492235.db2.gz BNTVUSBHRLKKCP-OFLPRAFFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)/C(C)=C/CC)C1 ZINC001267782112 808492632 /nfs/dbraw/zinc/49/26/32/808492632.db2.gz REXKQLVUWKCDOC-AHQMPEJBSA-N 1 1 278.440 3.232 20 30 CGEDMO CC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172988218 808496548 /nfs/dbraw/zinc/49/65/48/808496548.db2.gz IVQTWRAPGFGNEW-RDBSUJKOSA-N 1 1 295.427 3.008 20 30 CGEDMO CCC[N@@H+](CC)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172981581 808497151 /nfs/dbraw/zinc/49/71/51/808497151.db2.gz XCEHEVKMAYRWMS-KBPBESRZSA-N 1 1 295.427 3.010 20 30 CGEDMO C=CC[N@H+](C)CCC1CCN(C(=O)C2(CCC)CC2)CC1 ZINC001268199375 808555537 /nfs/dbraw/zinc/55/55/37/808555537.db2.gz FVCPWPPSHXKWKB-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)c1cc(C)cc(C)c1 ZINC001268255800 808569462 /nfs/dbraw/zinc/56/94/62/808569462.db2.gz NAAFWHFAVZMSDM-UHFFFAOYSA-N 1 1 288.435 3.273 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CC(=C)Cl)C1 ZINC001268261117 808572165 /nfs/dbraw/zinc/57/21/65/808572165.db2.gz BLWYLPPUXSTCEJ-HUUCEWRRSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C[C@H](C(=O)NC1C[NH+](CC/C=C/CC)C1)c1ccccc1 ZINC001268482894 808591595 /nfs/dbraw/zinc/59/15/95/808591595.db2.gz AEJVQWIRCZTYEZ-QWNKOJSDSA-N 1 1 298.430 3.113 20 30 CGEDMO C=C[C@H](C(=O)NC1C[NH+](CC/C=C\CC)C1)c1ccccc1 ZINC001268482895 808592444 /nfs/dbraw/zinc/59/24/44/808592444.db2.gz AEJVQWIRCZTYEZ-XFHJGTJQSA-N 1 1 298.430 3.113 20 30 CGEDMO CCCCCCCC[C@@H](CCC)[N@H+]1CCO[C@H](C(N)=O)C1 ZINC001173309694 808605574 /nfs/dbraw/zinc/60/55/74/808605574.db2.gz JSAPXVPIVGQTSB-CVEARBPZSA-N 1 1 298.471 3.092 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H](C)C[NH2+]C/C(Cl)=C/Cl ZINC001268688023 808610535 /nfs/dbraw/zinc/61/05/35/808610535.db2.gz QSTCJHPRAWVBKP-QBQSQJOESA-N 1 1 293.238 3.002 20 30 CGEDMO C=CCOC1CCC([N@@H+](C)CC(=O)c2ccccc2)CC1 ZINC001173322653 808611768 /nfs/dbraw/zinc/61/17/68/808611768.db2.gz HTQLNTIWUFMHJU-UHFFFAOYSA-N 1 1 287.403 3.315 20 30 CGEDMO C=CCOC1CCC([N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)CC1 ZINC001173321456 808611793 /nfs/dbraw/zinc/61/17/93/808611793.db2.gz KTPKCPZZLZVIQZ-DGKWVBSXSA-N 1 1 285.378 3.477 20 30 CGEDMO N#CCC1CCC([N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)CC1 ZINC001173335140 808617807 /nfs/dbraw/zinc/61/78/07/808617807.db2.gz BCMQUFJYGFYEOV-AKJUYKBHSA-N 1 1 268.351 3.436 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)C1(CC(C)C)CCC1 ZINC001268739216 808619226 /nfs/dbraw/zinc/61/92/26/808619226.db2.gz XYIDAVWOYFWOTO-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H](C)C[N@H+](C)C[C@@H](C)CC(C)C ZINC001268741178 808619707 /nfs/dbraw/zinc/61/97/07/808619707.db2.gz PCGHXVHPVYCRKD-LSDHHAIUSA-N 1 1 282.472 3.317 20 30 CGEDMO N#CCC1CCC([N@H+]2CC[C@H](N3CCCCC3)C2)CC1 ZINC001173338876 808619875 /nfs/dbraw/zinc/61/98/75/808619875.db2.gz JSMCANFCMDJGLF-JCYILVPMSA-N 1 1 275.440 3.019 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)C(C)(C)CC(C)(C)C ZINC001268758506 808626009 /nfs/dbraw/zinc/62/60/09/808626009.db2.gz WLEFVRGVSNVFTC-AWEZNQCLSA-N 1 1 282.472 3.461 20 30 CGEDMO CC[N@H+]1CC[C@H](N(CCC#N)C2CCCCCCC2)C1 ZINC001173364029 808631748 /nfs/dbraw/zinc/63/17/48/808631748.db2.gz SJGMZLAHXHZSOX-KRWDZBQOSA-N 1 1 277.456 3.409 20 30 CGEDMO CCOC(=O)[C@]1(C)CCC[N@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173599100 808651399 /nfs/dbraw/zinc/65/13/99/808651399.db2.gz ZKBACZMECMIBKE-BDVYOWHSSA-N 1 1 292.423 3.124 20 30 CGEDMO C[N@@H+](C[C@H]1Cc2ccccc2O1)C1CCC(C)(C#N)CC1 ZINC001173597615 808651445 /nfs/dbraw/zinc/65/14/45/808651445.db2.gz ZLRNODJPPNVYQT-UPTPFMHGSA-N 1 1 284.403 3.394 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)C=C2CCCCC2)C1 ZINC001269217482 808658219 /nfs/dbraw/zinc/65/82/19/808658219.db2.gz PCMGENWAJIWGAD-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)C(C)(C)C)C1 ZINC001269250571 808659706 /nfs/dbraw/zinc/65/97/06/808659706.db2.gz GHHUPNDWYBAWKX-LSDHHAIUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1CC[N@@H+]1CC/C=C\CC ZINC001269272596 808661900 /nfs/dbraw/zinc/66/19/00/808661900.db2.gz LWGKPHDPSRGZRC-ZPIQOJFGSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC(C)(C)C(=O)N(C)[C@@H]1CC[N@H+](CC/C=C/CC)C1 ZINC001269279970 808663103 /nfs/dbraw/zinc/66/31/03/808663103.db2.gz GJAJQSYKAKMIHC-ROJDOSBLSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@@H]1CC[N@H+]1CCC(C)(C)C ZINC001269278995 808663418 /nfs/dbraw/zinc/66/34/18/808663418.db2.gz SUUHCHKDXVGALT-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H]2CC[N@@H+]2[C@@H](C)c2ccccc2)C1 ZINC001269291447 808666192 /nfs/dbraw/zinc/66/61/92/808666192.db2.gz JGHGRNZHTQVURP-RDJZCZTQSA-N 1 1 298.430 3.294 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)CCC2CCCC2)C1 ZINC001269307673 808667129 /nfs/dbraw/zinc/66/71/29/808667129.db2.gz WEFRXBDTWUVGHS-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO CCCCCCC[N@@H+](CC)[C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173758428 808669458 /nfs/dbraw/zinc/66/94/58/808669458.db2.gz DZDASMPEEHEICI-CVEARBPZSA-N 1 1 293.459 3.449 20 30 CGEDMO C=CC[N@H+](CCNC(=O)CCCF)C1CCCCCC1 ZINC001269611324 808692821 /nfs/dbraw/zinc/69/28/21/808692821.db2.gz HBWAAGXKYIXBHX-UHFFFAOYSA-N 1 1 284.419 3.063 20 30 CGEDMO C[N@H+]1CCc2c(C#N)c(Nc3cccc(F)c3)sc2C1 ZINC001173832230 808697023 /nfs/dbraw/zinc/69/70/23/808697023.db2.gz BXGGGVLEFUGLOX-UHFFFAOYSA-N 1 1 287.363 3.490 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(C1)CCN(C(=O)CCCC)CC2 ZINC001270323363 808725032 /nfs/dbraw/zinc/72/50/32/808725032.db2.gz SUHXBMCZRCTVNB-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC2(C)C)C1 ZINC001270576664 808736637 /nfs/dbraw/zinc/73/66/37/808736637.db2.gz MGJAAJIODTUKOW-QAPCUYQASA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCCCCCC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001270885271 808751265 /nfs/dbraw/zinc/75/12/65/808751265.db2.gz SZKQSYPKFBXZLR-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=C)C)C2 ZINC001271430980 808770646 /nfs/dbraw/zinc/77/06/46/808770646.db2.gz ZMIWGAWIMQJQHL-JYJNAYRXSA-N 1 1 290.451 3.134 20 30 CGEDMO C#CC[N@H+](C)CCN(C)C(=O)[C@@H](CC)CC1CCCCC1 ZINC001272126141 808798599 /nfs/dbraw/zinc/79/85/99/808798599.db2.gz TWXZOCJBRYICPC-KRWDZBQOSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)CC(C)=C(C)C)CC[C@H]21 ZINC001272215671 808801267 /nfs/dbraw/zinc/80/12/67/808801267.db2.gz JEBQZMQISNFPAK-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2C[C@H](C)CC ZINC001272423045 808806850 /nfs/dbraw/zinc/80/68/50/808806850.db2.gz TUBHAZMPHUIIGI-WBVHZDCISA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(CC)cc1 ZINC001272970823 808829474 /nfs/dbraw/zinc/82/94/74/808829474.db2.gz BTBBKVNBTSLRGT-QZTJIDSGSA-N 1 1 298.430 3.000 20 30 CGEDMO CC(C)(C)n1ncc(C#N)c1Nc1cc[nH+]c2ccccc12 ZINC001174037231 808834373 /nfs/dbraw/zinc/83/43/73/808834373.db2.gz PTOCWBSMFIZJNT-UHFFFAOYSA-N 1 1 291.358 3.223 20 30 CGEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)C[C@H](C)CC(C)C)CC1 ZINC001273466488 808846434 /nfs/dbraw/zinc/84/64/34/808846434.db2.gz PGHZVYWYKPCMFR-SJORKVTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCCC[N@@H+]1CCCC[C@@]12CC(=O)N(CC(C)C)C2 ZINC001273501735 808849964 /nfs/dbraw/zinc/84/99/64/808849964.db2.gz UTTCADSLMBEBTB-SFHVURJKSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CN1CC[C@@]2(CCC[N@H+]([C@@H](C)CC)CC2)C1=O ZINC001273922423 808863888 /nfs/dbraw/zinc/86/38/88/808863888.db2.gz MQXDJWBBXIVKTN-RDJZCZTQSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](CCC)C(C)C)C(C)(C)C1 ZINC001274454589 808875471 /nfs/dbraw/zinc/87/54/71/808875471.db2.gz PCVPTRUEKASQJX-HOTGVXAUSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@](C)(F)CCCC)C(C)(C)C1 ZINC001274436785 808875985 /nfs/dbraw/zinc/87/59/85/808875985.db2.gz PRFVBPOHQHRVEY-YOEHRIQHSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@@H+](C/C=C/Cl)[C@@H](C)C1 ZINC001274626414 808879482 /nfs/dbraw/zinc/87/94/82/808879482.db2.gz YUFYJTMJKVAYIW-DWOOFBTHSA-N 1 1 298.858 3.310 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(CCC)CC2)C[C@@H]1C ZINC001274642637 808879608 /nfs/dbraw/zinc/87/96/08/808879608.db2.gz FOBGZHDWHMTLFF-UONOGXRCSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(CCC)CC2)C[C@@H]1C ZINC001274642637 808879613 /nfs/dbraw/zinc/87/96/13/808879613.db2.gz FOBGZHDWHMTLFF-UONOGXRCSA-N 1 1 298.858 3.288 20 30 CGEDMO C=CCCCC[NH+]1CCC2(CN(Cc3ccc[nH]3)C2)CC1 ZINC001274974062 808895161 /nfs/dbraw/zinc/89/51/61/808895161.db2.gz DZLRKSZOXMGTEY-UHFFFAOYSA-N 1 1 287.451 3.269 20 30 CGEDMO N#Cc1cccc(CN2CC3(C2)CC[N@H+](C2CCCC2)C3)c1 ZINC001275290499 808926406 /nfs/dbraw/zinc/92/64/06/808926406.db2.gz OUSCMJAOEBPPGP-UHFFFAOYSA-N 1 1 295.430 3.009 20 30 CGEDMO C=CCCC(=O)N[C@@H](C)C[N@@H+](C)[C@H](C)c1ccccc1 ZINC001275520724 808944450 /nfs/dbraw/zinc/94/44/50/808944450.db2.gz JDZLBSOIXPNSPZ-LSDHHAIUSA-N 1 1 274.408 3.150 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)c1ccc(F)c(Cl)c1 ZINC001275911579 808975154 /nfs/dbraw/zinc/97/51/54/808975154.db2.gz CIESFTUVOJBXBC-LLVKDONJSA-N 1 1 298.789 3.105 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)c1ccsc1 ZINC001275929138 808977217 /nfs/dbraw/zinc/97/72/17/808977217.db2.gz YYCQUQTVIJTJNW-KBPBESRZSA-N 1 1 294.464 3.254 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)c1cccc(C(F)F)c1 ZINC001275976410 808980953 /nfs/dbraw/zinc/98/09/53/808980953.db2.gz DGOLJPLAXQMMOR-GFCCVEGCSA-N 1 1 296.361 3.250 20 30 CGEDMO CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C)C(C)(C)C ZINC001276311292 809001488 /nfs/dbraw/zinc/00/14/88/809001488.db2.gz LZSPRLSGRHPMPJ-CVEARBPZSA-N 1 1 292.467 3.053 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H](NC(=O)CC)C(C)(C)C1 ZINC001276555762 809016642 /nfs/dbraw/zinc/01/66/42/809016642.db2.gz RUIHPJFJNMNSPM-AWEZNQCLSA-N 1 1 268.445 3.193 20 30 CGEDMO N#Cc1sccc1Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001174448764 809018792 /nfs/dbraw/zinc/01/87/92/809018792.db2.gz YPNLQVOWYQHTAI-UHFFFAOYSA-N 1 1 299.399 3.196 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)C(CCC)CCC)C(C)(C)C1 ZINC001276601979 809020811 /nfs/dbraw/zinc/02/08/11/809020811.db2.gz UWEBDHWVYGPPSQ-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](C/C=C/Cl)CC1(C)C ZINC001276609408 809021354 /nfs/dbraw/zinc/02/13/54/809021354.db2.gz WODSZLFHPBLQCH-BUUCAEBMSA-N 1 1 298.858 3.168 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)CC1(C)C ZINC001276609408 809021359 /nfs/dbraw/zinc/02/13/59/809021359.db2.gz WODSZLFHPBLQCH-BUUCAEBMSA-N 1 1 298.858 3.168 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CC[N@H+]1[C@H]1CCCc2ccccc21 ZINC001276802024 809032976 /nfs/dbraw/zinc/03/29/76/809032976.db2.gz WGENJCDYCIHIHL-AEFFLSMTSA-N 1 1 298.430 3.221 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)co1 ZINC001276909858 809043759 /nfs/dbraw/zinc/04/37/59/809043759.db2.gz UAQAOTLLYHBVLV-HNNXBMFYSA-N 1 1 292.423 3.363 20 30 CGEDMO C[N@H+]1CCCC2(CCN(c3ccc(F)c(C#N)c3)CC2)C1 ZINC001277035464 809055358 /nfs/dbraw/zinc/05/53/58/809055358.db2.gz HSXVXBXLNSDREH-UHFFFAOYSA-N 1 1 287.382 3.010 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)[C@@H]2CC[C@@H](F)C2)CC1 ZINC001277423665 809074191 /nfs/dbraw/zinc/07/41/91/809074191.db2.gz SNSHEJABRIBNMG-HUUCEWRRSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@]2(CC[N@H+](CC(=C)Cl)C2)C1 ZINC001277515872 809078179 /nfs/dbraw/zinc/07/81/79/809078179.db2.gz CZUPREZBADYCEN-INIZCTEOSA-N 1 1 296.842 3.020 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@]2(CC[N@@H+](CC(=C)Cl)C2)C1 ZINC001277515872 809078184 /nfs/dbraw/zinc/07/81/84/809078184.db2.gz CZUPREZBADYCEN-INIZCTEOSA-N 1 1 296.842 3.020 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)C(CC)CC)C2)C1 ZINC001277526170 809078660 /nfs/dbraw/zinc/07/86/60/809078660.db2.gz YGFKDWKAYFDBHC-CRAIPNDOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@@]2(CC[N@H+](CC=C(C)C)C2)C1 ZINC001277516106 809078835 /nfs/dbraw/zinc/07/88/35/809078835.db2.gz GFDQHFZRAGPPQW-GOSISDBHSA-N 1 1 290.451 3.233 20 30 CGEDMO N#CCCCN1CCC[C@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001277943540 809107839 /nfs/dbraw/zinc/10/78/39/809107839.db2.gz YCDZUUKUWMOOOM-SFHVURJKSA-N 1 1 289.467 3.411 20 30 CGEDMO C=CCCCCCCCCC[N@@H+]1CC[C@@H]2C[C@@]21C(N)=O ZINC001277977567 809109621 /nfs/dbraw/zinc/10/96/21/809109621.db2.gz MNJFYMXRJTUMMD-WBVHZDCISA-N 1 1 278.440 3.243 20 30 CGEDMO CCCCCCCCCCC[N@H+]1C[C@H]2C[C@@]2(C(N)=O)C1 ZINC001278182307 809118256 /nfs/dbraw/zinc/11/82/56/809118256.db2.gz SIOXAAJOVMXDIW-NVXWUHKLSA-N 1 1 280.456 3.324 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@](C)(NC(=O)CC2(C)CC2)C1 ZINC001278410907 809130895 /nfs/dbraw/zinc/13/08/95/809130895.db2.gz PQJMDYCARAFEOG-YOEHRIQHSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](F)C(C)C)C1 ZINC001278420695 809131470 /nfs/dbraw/zinc/13/14/70/809131470.db2.gz OLUABNNUVYUKLG-NVXWUHKLSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)CC(C)=C(C)C)[C@@H]1C ZINC001278520885 809139921 /nfs/dbraw/zinc/13/99/21/809139921.db2.gz KAEDXBPNSKVNEW-HOTGVXAUSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@](C)(CNC(=O)C2CC2)C1 ZINC001278641704 809148432 /nfs/dbraw/zinc/14/84/32/809148432.db2.gz NYEIYKYWJBTUKY-SFHVURJKSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=C)Cl)C2 ZINC001278947849 809158706 /nfs/dbraw/zinc/15/87/06/809158706.db2.gz MZTOSSLPUNGLIL-ZNMIVQPWSA-N 1 1 296.842 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCC(C)C)C2 ZINC001279204255 809167505 /nfs/dbraw/zinc/16/75/05/809167505.db2.gz KHNUSSYPMIFZDJ-BJWYYQGGSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CCC[N@H+](C(C)C)CC1 ZINC001280733996 809196476 /nfs/dbraw/zinc/19/64/76/809196476.db2.gz TVIXXYZVOKMXNS-INIZCTEOSA-N 1 1 278.440 3.134 20 30 CGEDMO C=C(C)C[N@@H+]1Cc2ccc(CNC(=O)C3(CC)CC3)cc2C1 ZINC001281299988 809208926 /nfs/dbraw/zinc/20/89/26/809208926.db2.gz RGYJCQQLODKQAF-UHFFFAOYSA-N 1 1 298.430 3.385 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)CCC2CC2)C(C)(C)C1 ZINC001281541840 809213752 /nfs/dbraw/zinc/21/37/52/809213752.db2.gz RTZXYFNQXMVGFB-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C2(CCCC)CC2)C(C)(C)C1 ZINC001281553147 809215362 /nfs/dbraw/zinc/21/53/62/809215362.db2.gz NRMLIVKKTWIFFM-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](NC(=O)CC)C[C@H]1C ZINC001281644582 809215590 /nfs/dbraw/zinc/21/55/90/809215590.db2.gz LVAGKAKWCYRIND-HUUCEWRRSA-N 1 1 268.445 3.336 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)CCC(=C)C)C[C@@H]1C ZINC001281665799 809216770 /nfs/dbraw/zinc/21/67/70/809216770.db2.gz UGDSACURBAOIRA-HOTGVXAUSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C1=CCCCCC1 ZINC001281931920 809224094 /nfs/dbraw/zinc/22/40/94/809224094.db2.gz GJKHNDBGDRDDAP-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C1(C)CCC1 ZINC001281953424 809224750 /nfs/dbraw/zinc/22/47/50/809224750.db2.gz VEJZUSLQEDZDEA-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1cc(C)co1 ZINC001281952812 809225133 /nfs/dbraw/zinc/22/51/33/809225133.db2.gz PJQNPRISTFQDKU-HNNXBMFYSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)C12CCC(CC1)C2 ZINC001281942426 809225518 /nfs/dbraw/zinc/22/55/18/809225518.db2.gz QEGPQDHXECRHBG-UPTPFMHGSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]1C[N@@H+](C)CCC1CC1 ZINC001281956589 809227019 /nfs/dbraw/zinc/22/70/19/809227019.db2.gz HUSCGUIOMJFHSU-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCCC(=O)NC[C@@H](C)[N@@H+](C)Cc1cccc(F)c1 ZINC001282451676 809248103 /nfs/dbraw/zinc/24/81/03/809248103.db2.gz YIZBVVSQKMEQLV-CQSZACIVSA-N 1 1 292.398 3.119 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)c1cc2ccccc2[nH]1 ZINC001282495306 809251138 /nfs/dbraw/zinc/25/11/38/809251138.db2.gz SZWCDPDTGHCGGS-AWEZNQCLSA-N 1 1 299.418 3.184 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)CNC(=O)Cc1cccc2ccccc21 ZINC001282487003 809251398 /nfs/dbraw/zinc/25/13/98/809251398.db2.gz SWVIERMCGNNWCY-HNNXBMFYSA-N 1 1 296.414 3.005 20 30 CGEDMO C/C=C/C[C@H]1CCC[N@@H+](Cc2cc(C#N)ccn2)C1 ZINC001175055091 809255699 /nfs/dbraw/zinc/25/56/99/809255699.db2.gz UMCPLYPNAMJYAD-HSWBROFVSA-N 1 1 255.365 3.131 20 30 CGEDMO C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)CCCC(C)C ZINC001282674731 809259128 /nfs/dbraw/zinc/25/91/28/809259128.db2.gz GOJIJNAANVENMG-KRWDZBQOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@]1(C)C=CCC1 ZINC001282675109 809259382 /nfs/dbraw/zinc/25/93/82/809259382.db2.gz JVVCYUCZNOSPBJ-SJLPKXTDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1C[N@H+](C[C@H](C)CC)CC1(C)C ZINC001282812376 809263942 /nfs/dbraw/zinc/26/39/42/809263942.db2.gz VEGNNQGGXRCSSQ-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@H](CCC)C(C)C)C(C)(C)C1 ZINC001282823650 809264858 /nfs/dbraw/zinc/26/48/58/809264858.db2.gz WUQWXBDFHHUBBR-CVEARBPZSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@H]1C[N@H+](CCCC)CC1(C)C ZINC001282823073 809265338 /nfs/dbraw/zinc/26/53/38/809265338.db2.gz OTVMMQXAJSLZHF-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)CCCCC(C)C)C(C)(C)C1 ZINC001282834471 809265536 /nfs/dbraw/zinc/26/55/36/809265536.db2.gz VYSUYJSJOXIZQQ-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C1CCN(C(=O)CCCC)CC1 ZINC001283292843 809275305 /nfs/dbraw/zinc/27/53/05/809275305.db2.gz SYEHVVRNNPJXQX-OAHLLOKOSA-N 1 1 280.456 3.454 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)[C@@H]1C[C@]1(C)C(C)C)C(C)C ZINC001284552965 809309320 /nfs/dbraw/zinc/30/93/20/809309320.db2.gz BLMWTAWXQWBKDM-FUHWJXTLSA-N 1 1 294.483 3.414 20 30 CGEDMO C=C[C@H](C(=O)N(CC[N@H+](C)CC)C(C)C)c1ccccc1 ZINC001284559815 809310091 /nfs/dbraw/zinc/31/00/91/809310091.db2.gz ZTFXQDXGJYQZMM-KRWDZBQOSA-N 1 1 288.435 3.145 20 30 CGEDMO C=CCCCC(=O)NCC1=CC[N@@H+](CC2CCCC2)CC1 ZINC001284960588 809321836 /nfs/dbraw/zinc/32/18/36/809321836.db2.gz VZIKAAHLSONISF-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CC[C@@H](C(=O)OC)[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC001175436044 809404261 /nfs/dbraw/zinc/40/42/61/809404261.db2.gz CZUDSHGOSRAWOV-INIZCTEOSA-N 1 1 291.366 3.123 20 30 CGEDMO C[N@H+]1CCC=C(Nc2cc(Cl)c(Cl)cc2C#N)C1 ZINC001175583022 809463284 /nfs/dbraw/zinc/46/32/84/809463284.db2.gz WIFMSEMXYYYCOH-UHFFFAOYSA-N 1 1 282.174 3.496 20 30 CGEDMO C#Cc1ccccc1Nc1cccc(C[NH+]2CCOCC2)c1 ZINC001175860174 809560056 /nfs/dbraw/zinc/56/00/56/809560056.db2.gz MONYRZRFRMQKGY-UHFFFAOYSA-N 1 1 292.382 3.244 20 30 CGEDMO C#CC[C@H]1CC[N@H+](CCOc2ccc(SC)cc2)C1 ZINC001176071414 809613764 /nfs/dbraw/zinc/61/37/64/809613764.db2.gz YHUAZQGESRYHSX-AWEZNQCLSA-N 1 1 275.417 3.133 20 30 CGEDMO C#CC[N@@H+](C[C@@H](O)c1ccc(Cl)cc1Cl)C(C)C ZINC001176373655 809681907 /nfs/dbraw/zinc/68/19/07/809681907.db2.gz WBNMNMLBESQNJN-CQSZACIVSA-N 1 1 286.202 3.370 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1cccc(N(C)C)n1 ZINC001176771152 809759921 /nfs/dbraw/zinc/75/99/21/809759921.db2.gz FVERVOYCYUWGHL-OAHLLOKOSA-N 1 1 259.397 3.078 20 30 CGEDMO CC(C)[C@H]1C[C@H](N2CCCC2)C[N@@H+]1Cc1cccc(C#N)c1 ZINC001176888096 809767618 /nfs/dbraw/zinc/76/76/18/809767618.db2.gz XYWSIGFROXDOOC-RBUKOAKNSA-N 1 1 297.446 3.253 20 30 CGEDMO CC(C)[C@H]1C[C@H](N2CCCC2)C[N@H+]1Cc1cccc(C#N)c1 ZINC001176888096 809767624 /nfs/dbraw/zinc/76/76/24/809767624.db2.gz XYWSIGFROXDOOC-RBUKOAKNSA-N 1 1 297.446 3.253 20 30 CGEDMO Cc1ccc2cc(C[NH2+]Cc3nc(C#N)cs3)[nH]c2c1 ZINC001179681871 809936166 /nfs/dbraw/zinc/93/61/66/809936166.db2.gz RXSYQENFGGXASK-UHFFFAOYSA-N 1 1 282.372 3.094 20 30 CGEDMO C#CC[N@@H+](Cc1c(F)cccc1OCC)CC1CC1 ZINC001180117275 809975439 /nfs/dbraw/zinc/97/54/39/809975439.db2.gz VGDKZGYAGHPGIA-UHFFFAOYSA-N 1 1 261.340 3.070 20 30 CGEDMO C#CC[N@H+](Cc1c(F)cccc1OCC)CC1CC1 ZINC001180117275 809975440 /nfs/dbraw/zinc/97/54/40/809975440.db2.gz VGDKZGYAGHPGIA-UHFFFAOYSA-N 1 1 261.340 3.070 20 30 CGEDMO CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc([C@@H](C)C#N)cc1 ZINC001181997602 810088354 /nfs/dbraw/zinc/08/83/54/810088354.db2.gz IVQSRAWUQWTPGQ-BBRMVZONSA-N 1 1 285.391 3.127 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2N(C)C)C1 ZINC001183065625 810135763 /nfs/dbraw/zinc/13/57/63/810135763.db2.gz MZCHKYRYUWYEDP-GFCCVEGCSA-N 1 1 280.362 3.429 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)CC1Cc2ccccc2C1 ZINC001183428198 810148235 /nfs/dbraw/zinc/14/82/35/810148235.db2.gz GBQWRIWUIQRVEC-UHFFFAOYSA-N 1 1 290.410 3.448 20 30 CGEDMO C=C1CCC(CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001184246604 810185344 /nfs/dbraw/zinc/18/53/44/810185344.db2.gz KGDCTGJJNUFMMN-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CCCC)[C@@H]2C1 ZINC001186893730 810372123 /nfs/dbraw/zinc/37/21/23/810372123.db2.gz ZGFKZMBCOQPNSO-DLBZAZTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]2C[N@@H+](CC3CCCC3)C[C@H]21 ZINC001188080881 810452290 /nfs/dbraw/zinc/45/22/90/810452290.db2.gz OIMYVIRWKLBOAP-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CC(C)=C(C)C)[C@@H]2C1 ZINC001188840034 810518897 /nfs/dbraw/zinc/51/88/97/810518897.db2.gz VXSULOCFIFFJEW-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(Cl)o2)C1 ZINC001188863869 810519463 /nfs/dbraw/zinc/51/94/63/810519463.db2.gz WLZYVMMRDGONCM-GFCCVEGCSA-N 1 1 296.798 3.046 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)/C(C)=C/CC)C1 ZINC001189179625 810546841 /nfs/dbraw/zinc/54/68/41/810546841.db2.gz RQEOCQPJFMMFMU-IYSULOHHSA-N 1 1 278.440 3.230 20 30 CGEDMO C#CCCCC(=O)N1CC[C@@H]([N@H+](C)CCCCCCC)C1 ZINC001189926985 810595113 /nfs/dbraw/zinc/59/51/13/810595113.db2.gz VKOJDEFXDJXGFO-QGZVFWFLSA-N 1 1 292.467 3.293 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CCCCCC)[C@@H]2C1 ZINC001190035267 810604748 /nfs/dbraw/zinc/60/47/48/810604748.db2.gz LFUKCVIEDMQMOT-DLBZAZTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001190246646 810614823 /nfs/dbraw/zinc/61/48/23/810614823.db2.gz DZWBGTJUQGFUDL-ARFHVFGLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]([N@@H+](C)CCC2CCCC2)C1 ZINC001190436620 810628493 /nfs/dbraw/zinc/62/84/93/810628493.db2.gz YKTJHNBJRVASKG-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO CCCCCCCNC(=O)N[C@@H]1CC[N@H+](C(C)C)C[C@@H]1C ZINC001191122222 810679866 /nfs/dbraw/zinc/67/98/66/810679866.db2.gz UUMIVFWDYHDMMX-JKSUJKDBSA-N 1 1 297.487 3.375 20 30 CGEDMO CCCCCCCNC(=O)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001191118912 810679939 /nfs/dbraw/zinc/67/99/39/810679939.db2.gz STRRPFWSZMCPSJ-PHZGNYQRSA-N 1 1 295.471 3.271 20 30 CGEDMO C=C(CC)C[N@@H+](C[C@H](O)COc1cccc(C)c1)C(C)C ZINC001191203168 810687846 /nfs/dbraw/zinc/68/78/46/810687846.db2.gz MBFHAPAMBNQKFT-KRWDZBQOSA-N 1 1 291.435 3.411 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@@H]([N@H+](C)C[C@H](C)CC(C)C)C1 ZINC001191720809 810732522 /nfs/dbraw/zinc/73/25/22/810732522.db2.gz UYFAZGIWMMMIEP-HZPDHXFCSA-N 1 1 294.483 3.414 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)CCCF)C1 ZINC001191781093 810740575 /nfs/dbraw/zinc/74/05/75/810740575.db2.gz MNDPPLONOSUOSW-HNNXBMFYSA-N 1 1 286.435 3.239 20 30 CGEDMO C=C/C(C)=C\CC(=O)N1CC[C@@H]([N@@H+](C)CCC(=C)C)C1 ZINC001191827348 810747355 /nfs/dbraw/zinc/74/73/55/810747355.db2.gz DFANJDHSQDERLM-NXADEVLQSA-N 1 1 276.424 3.008 20 30 CGEDMO CC#CCCCC(=O)N1CC[C@H]([N@H+](C)CCCCCC)C1 ZINC001191868342 810754223 /nfs/dbraw/zinc/75/42/23/810754223.db2.gz RXTORUPZAITAET-KRWDZBQOSA-N 1 1 292.467 3.293 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)CCC)C1 ZINC001192114759 810769804 /nfs/dbraw/zinc/76/98/04/810769804.db2.gz NBKXAZDGRLJPEZ-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC1(C(=O)N2CC[C@@H]([N@H+](C)CC(=C)Cl)C2)CC1 ZINC001192180129 810772546 /nfs/dbraw/zinc/77/25/46/810772546.db2.gz FOAPJNVTCZASBB-CQSZACIVSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CCCC1(C(=O)N2CC[C@@H]([N@@H+](C)CC(=C)Cl)C2)CC1 ZINC001192180129 810772548 /nfs/dbraw/zinc/77/25/48/810772548.db2.gz FOAPJNVTCZASBB-CQSZACIVSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C2(C(C)C)CC2)C1 ZINC001192226586 810778627 /nfs/dbraw/zinc/77/86/27/810778627.db2.gz KITJPPJERVNBNW-HZPDHXFCSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)C2(C(C)C)CC2)C1 ZINC001192226581 810779202 /nfs/dbraw/zinc/77/92/02/810779202.db2.gz KITJPPJERVNBNW-CVEARBPZSA-N 1 1 292.467 3.310 20 30 CGEDMO C#CC[N@@H+](Cc1cccc(OC)c1Cl)CC1CC1 ZINC001192301595 810785811 /nfs/dbraw/zinc/78/58/11/810785811.db2.gz BEABIAKNRVHMQJ-UHFFFAOYSA-N 1 1 263.768 3.194 20 30 CGEDMO C#CC[N@H+](Cc1cccc(OC)c1Cl)CC1CC1 ZINC001192301595 810785819 /nfs/dbraw/zinc/78/58/19/810785819.db2.gz BEABIAKNRVHMQJ-UHFFFAOYSA-N 1 1 263.768 3.194 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)CC(C)(C)C)C1 ZINC001192687063 810816647 /nfs/dbraw/zinc/81/66/47/810816647.db2.gz AMJHXZHMILBNBX-HUUCEWRRSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)CC(C)(C)C)C1 ZINC001192688741 810817176 /nfs/dbraw/zinc/81/71/76/810817176.db2.gz ZBLPXMCVRDLUKV-CABCVRRESA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC1(CC(=O)N2CC[C@H]([N@H+](C)C(C)C)C2)CCCCC1 ZINC001192825908 810823109 /nfs/dbraw/zinc/82/31/09/810823109.db2.gz NMPVFRVWABILDG-INIZCTEOSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)CC(C)C)C1 ZINC001193100087 810856735 /nfs/dbraw/zinc/85/67/35/810856735.db2.gz SWJYNCOWIYCPHN-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO CC[C@@H]1CCCC[C@H]1[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC001193460728 810890800 /nfs/dbraw/zinc/89/08/00/810890800.db2.gz MMIOOYNKIFZUDB-NXHRZFHOSA-N 1 1 286.419 3.492 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001193479725 810894338 /nfs/dbraw/zinc/89/43/38/810894338.db2.gz ZURULXRHXKGFRI-GJZGRUSLSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001193580242 810912794 /nfs/dbraw/zinc/91/27/94/810912794.db2.gz SBPWQBFDVSUANQ-ULQDDVLXSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001193580241 810912992 /nfs/dbraw/zinc/91/29/92/810912992.db2.gz SBPWQBFDVSUANQ-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO CCCCCCCCC(=O)N1CC[C@@H]([N@@H+](C)CC)C1 ZINC001193640236 810925846 /nfs/dbraw/zinc/92/58/46/810925846.db2.gz DYQFBWAIVBWVLF-OAHLLOKOSA-N 1 1 268.445 3.290 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H]1CC(=O)OCC ZINC001193715269 810941450 /nfs/dbraw/zinc/94/14/50/810941450.db2.gz WTRMNSYTGKILCI-CQSZACIVSA-N 1 1 255.402 3.374 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)CCC2CCCCC2)C1 ZINC001193824519 810962758 /nfs/dbraw/zinc/96/27/58/810962758.db2.gz GDMMMDNRDRQJIG-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CCN1CCCc2ccccc21 ZINC001193942032 810981685 /nfs/dbraw/zinc/98/16/85/810981685.db2.gz KOFUWUXSZCIGIZ-QGZVFWFLSA-N 1 1 270.420 3.480 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C2CCC=CCC2)C1 ZINC001194072046 811011633 /nfs/dbraw/zinc/01/16/33/811011633.db2.gz NABBVPWBLLBMDZ-KRWDZBQOSA-N 1 1 290.451 3.232 20 30 CGEDMO CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)CCCCC)C1 ZINC001194165110 811025076 /nfs/dbraw/zinc/02/50/76/811025076.db2.gz XKOVBSZCQCBFNW-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@H]([N@H+](C)C(C)C)C2)CCCCC1 ZINC001194199811 811034602 /nfs/dbraw/zinc/03/46/02/811034602.db2.gz HAOMAFXONAFLEO-INIZCTEOSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@@H]([N@@H+](C)CC(=C)C)C2)CCCC1 ZINC001194555491 811089287 /nfs/dbraw/zinc/08/92/87/811089287.db2.gz MIXKMKDSVNKHGA-MRXNPFEDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCOCC[N@H+]1[C@H](C)C[C@@H](c2ccccc2)[C@H]1C ZINC001194684969 811107858 /nfs/dbraw/zinc/10/78/58/811107858.db2.gz ZILFKUUSXIJMJS-BFYDXBDKSA-N 1 1 259.393 3.456 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)[C@H](CC)CCCC)CC1 ZINC001194936633 811174708 /nfs/dbraw/zinc/17/47/08/811174708.db2.gz RWYQTVCGGKPUSF-MRXNPFEDSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](C[C@@H]2CCC(C)(C)CO2)C1 ZINC001195954877 811305457 /nfs/dbraw/zinc/30/54/57/811305457.db2.gz MKLQVABHEMQGRT-GJZGRUSLSA-N 1 1 251.414 3.480 20 30 CGEDMO C=CC[N@H+](CCCCOC(C)(C)C)[C@@H](C)COC ZINC001196048078 811314136 /nfs/dbraw/zinc/31/41/36/811314136.db2.gz MPACJNKAOWKPGX-AWEZNQCLSA-N 1 1 257.418 3.105 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)C[C@@H]2CC[C@@H](C)C2)CC1 ZINC001196789928 811366180 /nfs/dbraw/zinc/36/61/80/811366180.db2.gz DPDHEBBFTYFNAW-IAGOWNOFSA-N 1 1 292.467 3.313 20 30 CGEDMO C[N@@H+](C[C@@H]1CCCC12CCOCC2)[C@H]1CCC[C@@H]1C#N ZINC001196834051 811373233 /nfs/dbraw/zinc/37/32/33/811373233.db2.gz WFQMPCZYCQJZIM-PMPSAXMXSA-N 1 1 276.424 3.207 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)c2cc(C)co2)CC1 ZINC001196830226 811373972 /nfs/dbraw/zinc/37/39/72/811373972.db2.gz JBHMARBPVXUKEO-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](CC2CCCC2)CC1 ZINC001196831091 811373989 /nfs/dbraw/zinc/37/39/89/811373989.db2.gz ODQAUMTWPKYEQL-JKSUJKDBSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)C2CCC(F)CC2)CC1 ZINC001197044225 811393953 /nfs/dbraw/zinc/39/39/53/811393953.db2.gz PMDHKIAGWHCQTG-UHFFFAOYSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@](C)(C=C)CC)CC1 ZINC001197038876 811394800 /nfs/dbraw/zinc/39/48/00/811394800.db2.gz ZRAOYXJEEBGBJS-FUHWJXTLSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC1(C(=O)N2CCC[N@H+](C[C@@H](C)CC)CC2)CCC1 ZINC001197076202 811396831 /nfs/dbraw/zinc/39/68/31/811396831.db2.gz CSFAWVIBBNTKEJ-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[N@H+](CCCCC)CC1 ZINC001197300970 811413286 /nfs/dbraw/zinc/41/32/86/811413286.db2.gz YQMPOJPKQNVCLY-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)[C@H](CCC)C(C)C)CC1 ZINC001197308851 811415188 /nfs/dbraw/zinc/41/51/88/811415188.db2.gz RGQXTDWDPCTOEH-MRXNPFEDSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[N@H+]1CCCN(C(=O)C[C@@H](C=C)c2ccccc2)CC1 ZINC001198204895 811484785 /nfs/dbraw/zinc/48/47/85/811484785.db2.gz MQDIOTXZUHIVJT-QGZVFWFLSA-N 1 1 298.430 3.067 20 30 CGEDMO C=CCCC[N@H+](CC)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC001198458532 811505513 /nfs/dbraw/zinc/50/55/13/811505513.db2.gz SVLRHJGKIYLBMW-MRXNPFEDSA-N 1 1 290.382 3.219 20 30 CGEDMO C[C@H]1CSCCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001198518298 811510471 /nfs/dbraw/zinc/51/04/71/811510471.db2.gz XRNFIWQBACKXNK-NSHDSACASA-N 1 1 264.369 3.025 20 30 CGEDMO CCCCCCCCCNC(=S)N[C@@H]1CCC[N@@H+](C)C1 ZINC001200378647 811683588 /nfs/dbraw/zinc/68/35/88/811683588.db2.gz ZHTBLEXWBKECEI-OAHLLOKOSA-N 1 1 299.528 3.295 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@H+](CC1CCCCC1)CC2 ZINC001201390882 811824414 /nfs/dbraw/zinc/82/44/14/811824414.db2.gz QQLQMYGBEPWZOH-UHFFFAOYSA-N 1 1 254.377 3.497 20 30 CGEDMO C=CCN1C(=O)CCC[C@@]12CCC[N@H+](CCC(C)C)C2 ZINC001201614334 811922001 /nfs/dbraw/zinc/92/20/01/811922001.db2.gz JJPCHJUWSVIPLY-KRWDZBQOSA-N 1 1 278.440 3.066 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H](C(=O)OC)[C@H]1C ZINC001201787761 811964897 /nfs/dbraw/zinc/96/48/97/811964897.db2.gz LBUHJBAASMSORR-KGLIPLIRSA-N 1 1 255.402 3.230 20 30 CGEDMO CCCCCCC[N@@H+]1CCOC[C@H]1c1cccnc1 ZINC001201798632 811966388 /nfs/dbraw/zinc/96/63/88/811966388.db2.gz YKDOCTXURUHQCW-INIZCTEOSA-N 1 1 262.397 3.425 20 30 CGEDMO CCCCCCC[N@H+]1CCOC[C@H]1c1cccnc1 ZINC001201798632 811966394 /nfs/dbraw/zinc/96/63/94/811966394.db2.gz YKDOCTXURUHQCW-INIZCTEOSA-N 1 1 262.397 3.425 20 30 CGEDMO CCCCCCCCC[N@@H+]1C[C@H](CO)C[C@H](F)C1 ZINC001201838878 811969104 /nfs/dbraw/zinc/96/91/04/811969104.db2.gz GBXRDLQZDYNAAK-CABCVRRESA-N 1 1 259.409 3.389 20 30 CGEDMO CCCCCCCCC[N@@H+]1CCO[C@H](C(=O)OCC)C1 ZINC001201845902 811970787 /nfs/dbraw/zinc/97/07/87/811970787.db2.gz ADRSZGAOUHRANP-HNNXBMFYSA-N 1 1 285.428 3.001 20 30 CGEDMO CCCCCCCCC[N@H+]1CCO[C@H](C(=O)OCC)C1 ZINC001201845902 811970794 /nfs/dbraw/zinc/97/07/94/811970794.db2.gz ADRSZGAOUHRANP-HNNXBMFYSA-N 1 1 285.428 3.001 20 30 CGEDMO CCCCCCCCC[N@H+]1C[C@@H]2COC[C@]2(COC)C1 ZINC001201846340 811971431 /nfs/dbraw/zinc/97/14/31/811971431.db2.gz JFCTWCVPDTZMBW-IAGOWNOFSA-N 1 1 283.456 3.332 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@H](N(C)C(C)=O)C1 ZINC001201852935 811972809 /nfs/dbraw/zinc/97/28/09/811972809.db2.gz SWAOXLLOXHNLLL-INIZCTEOSA-N 1 1 268.445 3.290 20 30 CGEDMO CCCCCCCCCC[NH+]1CCN(C#N)CC1 ZINC001201875988 811974439 /nfs/dbraw/zinc/97/44/39/811974439.db2.gz SZABWTQEKZYSAS-UHFFFAOYSA-N 1 1 251.418 3.226 20 30 CGEDMO N#Cc1ccc(O[C@H]2CCC[N@@H+](CC3CCC3)C2)cc1 ZINC001202793624 812176447 /nfs/dbraw/zinc/17/64/47/812176447.db2.gz YYLDIDLGLPBBOC-KRWDZBQOSA-N 1 1 270.376 3.202 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1cnc(C)nc1 ZINC001203112116 812243713 /nfs/dbraw/zinc/24/37/13/812243713.db2.gz XPMJKPCRKFEKCU-UHFFFAOYSA-N 1 1 267.376 3.363 20 30 CGEDMO Cc1ccc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)c(C)n1 ZINC001203367586 812326814 /nfs/dbraw/zinc/32/68/14/812326814.db2.gz MXKOONTYPVFVQR-UHFFFAOYSA-N 1 1 298.415 3.363 20 30 CGEDMO COc1cc(Nc2cc(F)c(C#N)c(F)c2)[nH+]cc1C ZINC001203674477 812426692 /nfs/dbraw/zinc/42/66/92/812426692.db2.gz DUFHEVBHRVHDKG-UHFFFAOYSA-N 1 1 275.258 3.292 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CC[C@@](CF)(C(F)(F)F)C2)c1 ZINC001203756925 812454996 /nfs/dbraw/zinc/45/49/96/812454996.db2.gz FHTMMICGIBIXGG-ZDUSSCGKSA-N 1 1 286.272 3.282 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC001203908349 812488474 /nfs/dbraw/zinc/48/84/74/812488474.db2.gz RZAIOHZKOIVBPZ-GFCCVEGCSA-N 1 1 278.193 3.294 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2)C1 ZINC001203908349 812488477 /nfs/dbraw/zinc/48/84/77/812488477.db2.gz RZAIOHZKOIVBPZ-GFCCVEGCSA-N 1 1 278.193 3.294 20 30 CGEDMO CN(C)c1ccc(C[N@@H+](CCC#N)C2CCCC2)cc1 ZINC001203932803 812496634 /nfs/dbraw/zinc/49/66/34/812496634.db2.gz DHINQCLAWJGALA-UHFFFAOYSA-N 1 1 271.408 3.411 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccc(OC(C)=O)cc1 ZINC001203954259 812500991 /nfs/dbraw/zinc/50/09/91/812500991.db2.gz JOKCGMYLDAUNDH-UHFFFAOYSA-N 1 1 261.365 3.400 20 30 CGEDMO C#CC[N@@H+](C)CCCNC(=O)Nc1ccc(C2CCC2)cc1 ZINC001204237701 812581710 /nfs/dbraw/zinc/58/17/10/812581710.db2.gz QAMLTFBLAJTKEJ-UHFFFAOYSA-N 1 1 299.418 3.031 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](OCCC)C2)cc1 ZINC001204300302 812605219 /nfs/dbraw/zinc/60/52/19/812605219.db2.gz OSRBPVDTFYXINC-QGZVFWFLSA-N 1 1 275.392 3.252 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@@]1(C)CCCCO1 ZINC001204497276 812657468 /nfs/dbraw/zinc/65/74/68/812657468.db2.gz NGJBEPFKMYKQFG-OAHLLOKOSA-N 1 1 252.402 3.207 20 30 CGEDMO COc1ccc2cc(C[N@@H+]3CC[C@@H](C#N)C3)ccc2c1 ZINC001204517638 812664755 /nfs/dbraw/zinc/66/47/55/812664755.db2.gz PNTOLKRQLSUVSG-AWEZNQCLSA-N 1 1 266.344 3.194 20 30 CGEDMO COc1ccc2cc(C[N@H+]3CC[C@@H](C#N)C3)ccc2c1 ZINC001204517638 812664756 /nfs/dbraw/zinc/66/47/56/812664756.db2.gz PNTOLKRQLSUVSG-AWEZNQCLSA-N 1 1 266.344 3.194 20 30 CGEDMO N#Cc1ccc(CC2CC[NH+](Cc3nccs3)CC2)cc1 ZINC001204547685 812672892 /nfs/dbraw/zinc/67/28/92/812672892.db2.gz LLJPNJFXWKPXFE-UHFFFAOYSA-N 1 1 297.427 3.469 20 30 CGEDMO CC(C)C1(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)CC1 ZINC001204664362 812703597 /nfs/dbraw/zinc/70/35/97/812703597.db2.gz HFJPRLVFLPMWHG-QGZVFWFLSA-N 1 1 284.403 3.368 20 30 CGEDMO N#Cc1cccc(C[N@@H+](CC2CCCCC2)C2CC2)n1 ZINC001204713682 812714774 /nfs/dbraw/zinc/71/47/74/812714774.db2.gz FRIAREHPKKWBTQ-UHFFFAOYSA-N 1 1 269.392 3.498 20 30 CGEDMO COc1cc(C)c(C[N@@H+](C)Cc2ccc(C#N)cc2)c(O)c1 ZINC001204729750 812718847 /nfs/dbraw/zinc/71/88/47/812718847.db2.gz NBCRFCOUFRNDHA-UHFFFAOYSA-N 1 1 296.370 3.213 20 30 CGEDMO C=CCO[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001205037863 812835802 /nfs/dbraw/zinc/83/58/02/812835802.db2.gz VFMFYAZHLJWKQK-YESZJQIVSA-N 1 1 257.377 3.100 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(F)F)C1 ZINC001205723166 813059431 /nfs/dbraw/zinc/05/94/31/813059431.db2.gz GIVNKFFEBLCEDW-CHWSQXEVSA-N 1 1 290.398 3.049 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC(C)C)C1 ZINC001205808579 813087095 /nfs/dbraw/zinc/08/70/95/813087095.db2.gz HHICPXUTPQMXNW-HZPDHXFCSA-N 1 1 282.472 3.439 20 30 CGEDMO Cc1nc(C[NH+]2CCC(Cc3ccc(C#N)cc3)CC2)co1 ZINC001206068451 813189863 /nfs/dbraw/zinc/18/98/63/813189863.db2.gz ZIJZYJYNXJEZJX-UHFFFAOYSA-N 1 1 295.386 3.309 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCCCO3)C1 ZINC001206411060 813317141 /nfs/dbraw/zinc/31/71/41/813317141.db2.gz UUICBQZWROYRAN-INIZCTEOSA-N 1 1 299.414 3.473 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC=CC2)C1 ZINC001206712940 813405104 /nfs/dbraw/zinc/40/51/04/813405104.db2.gz MLWRDXZDXMBMNP-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO COc1cc(C)ccc1C[N@@H+]1CCc2cc(C#N)ccc2C1 ZINC001206740330 813415617 /nfs/dbraw/zinc/41/56/17/813415617.db2.gz ATIHNDWKPADLSR-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO COc1cc(C)ccc1C[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001206740330 813415623 /nfs/dbraw/zinc/41/56/23/813415623.db2.gz ATIHNDWKPADLSR-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO C#CCOc1ccc(Nc2c[nH+]c(N(C)C)cc2C)cc1 ZINC001206748188 813418503 /nfs/dbraw/zinc/41/85/03/813418503.db2.gz CVLPOPXCAFQWHF-UHFFFAOYSA-N 1 1 281.359 3.212 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)/C=C/C2CC2)C1 ZINC001206789629 813437802 /nfs/dbraw/zinc/43/78/02/813437802.db2.gz FAPGXICEKXGJSJ-GSSPJMICSA-N 1 1 290.451 3.136 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)Cc2ccccc21 ZINC001207103246 813487368 /nfs/dbraw/zinc/48/73/68/813487368.db2.gz QTMIKZMQFTZJOP-CYBMUJFWSA-N 1 1 265.360 3.016 20 30 CGEDMO N#C[C@@H]1CC[N@H+](C[C@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001207192160 813511508 /nfs/dbraw/zinc/51/15/08/813511508.db2.gz PDWFQJUADPNVLD-LNSITVRQSA-N 1 1 260.768 3.289 20 30 CGEDMO C[N@@H+](CCC#N)CCCc1ccc(Br)cc1 ZINC001207317216 813539214 /nfs/dbraw/zinc/53/92/14/813539214.db2.gz HAGFJGXOPJIKTF-UHFFFAOYSA-N 1 1 281.197 3.227 20 30 CGEDMO C[N@H+](CCC#N)CCCc1ccc(Br)cc1 ZINC001207317216 813539220 /nfs/dbraw/zinc/53/92/20/813539220.db2.gz HAGFJGXOPJIKTF-UHFFFAOYSA-N 1 1 281.197 3.227 20 30 CGEDMO CCCC[N@@H+](CCC#N)C[C@@H]1CCOC(C)(C)C1 ZINC001207355778 813548060 /nfs/dbraw/zinc/54/80/60/813548060.db2.gz FSLUBCBJWMXVSO-CQSZACIVSA-N 1 1 252.402 3.207 20 30 CGEDMO CC[N@H+](CCC#N)CCc1ccc(Br)cc1 ZINC001207382677 813556034 /nfs/dbraw/zinc/55/60/34/813556034.db2.gz PUIJGAJCZMRVNV-UHFFFAOYSA-N 1 1 281.197 3.227 20 30 CGEDMO CC[N@@H+](CCC#N)CCc1ccc(Br)cc1 ZINC001207382677 813556041 /nfs/dbraw/zinc/55/60/41/813556041.db2.gz PUIJGAJCZMRVNV-UHFFFAOYSA-N 1 1 281.197 3.227 20 30 CGEDMO C#CC[N@@H+](C[C@@H](C)c1cc(F)cc(F)c1)C(C)C ZINC001207715646 813640508 /nfs/dbraw/zinc/64/05/08/813640508.db2.gz JADPAEKKUYUKNP-GFCCVEGCSA-N 1 1 251.320 3.412 20 30 CGEDMO C=CCCCCCCCCC[N@@H+]1CC[C@@H](C(N)=O)C1 ZINC001207899256 813667796 /nfs/dbraw/zinc/66/77/96/813667796.db2.gz SICXKJVTHGHWSU-OAHLLOKOSA-N 1 1 266.429 3.100 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@H+](CCc1c(F)cccc1F)CC2 ZINC001208112012 813694525 /nfs/dbraw/zinc/69/45/25/813694525.db2.gz IPUSJXSDSWBDBT-UHFFFAOYSA-N 1 1 298.336 3.437 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@@H+](CCc1c(F)cccc1F)CC2 ZINC001208112012 813694527 /nfs/dbraw/zinc/69/45/27/813694527.db2.gz IPUSJXSDSWBDBT-UHFFFAOYSA-N 1 1 298.336 3.437 20 30 CGEDMO CCCCCCC/C=C/C[N@@H+]1CCO[C@@H]2C[C@H](CO)C[C@@H]21 ZINC001208119703 813698164 /nfs/dbraw/zinc/69/81/64/813698164.db2.gz GBQRCCWWUGUIDL-RBVZIQTCSA-N 1 1 295.467 3.375 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CCO[C@@H]2C[C@H](CO)C[C@@H]21 ZINC001208119703 813698168 /nfs/dbraw/zinc/69/81/68/813698168.db2.gz GBQRCCWWUGUIDL-RBVZIQTCSA-N 1 1 295.467 3.375 20 30 CGEDMO CCCCCCC/C=C/C[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC001208120666 813698220 /nfs/dbraw/zinc/69/82/20/813698220.db2.gz SUQDFPLRQPOSQA-JJGIJDNGSA-N 1 1 257.393 3.308 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1C[C@@H](F)C[C@H]1CO ZINC001208120666 813698224 /nfs/dbraw/zinc/69/82/24/813698224.db2.gz SUQDFPLRQPOSQA-JJGIJDNGSA-N 1 1 257.393 3.308 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001208171239 813723534 /nfs/dbraw/zinc/72/35/34/813723534.db2.gz RAWQUPPDGRUGAH-CVEARBPZSA-N 1 1 277.408 3.174 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@H](O)[C@@H](F)CC2)CC1 ZINC001208171481 813726482 /nfs/dbraw/zinc/72/64/82/813726482.db2.gz USBFFIPGBWILFU-OWCLPIDISA-N 1 1 267.388 3.084 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC/C=C/CCC)C[C@H]1C ZINC001208309296 813753852 /nfs/dbraw/zinc/75/38/52/813753852.db2.gz IBTWLLBFJRSFMC-UETGSQEOSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C ZINC001208309661 813754209 /nfs/dbraw/zinc/75/42/09/813754209.db2.gz ROSZKERTVIECJE-ZIAGYGMSSA-N 1 1 280.456 3.071 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCCC(C)C)C[C@H]1C ZINC001208388318 813757785 /nfs/dbraw/zinc/75/77/85/813757785.db2.gz KHTKRJSQOSOIAC-GVDBMIGSSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C2CC2)C1 ZINC001208382999 813758176 /nfs/dbraw/zinc/75/81/76/813758176.db2.gz YCHHQLQKWMJQEL-IJEWVQPXSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(CCCC)CC2)C1 ZINC001208509160 813765612 /nfs/dbraw/zinc/76/56/12/813765612.db2.gz VEJBRQVCGFKKTC-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](CC/C=C\CC)C2 ZINC001208727888 813817553 /nfs/dbraw/zinc/81/75/53/813817553.db2.gz UKTAOPKUGKRZKZ-SLXDBMQSSA-N 1 1 293.451 3.416 20 30 CGEDMO CC(C)Oc1ncccc1CC[N@H+]1CCC[C@H](CC#N)C1 ZINC001208799178 813852570 /nfs/dbraw/zinc/85/25/70/813852570.db2.gz SZZYNPWPIGRVJP-OAHLLOKOSA-N 1 1 287.407 3.037 20 30 CGEDMO COc1ccccc1CCC[N@H+]1CCC[C@@H](C#N)CC1 ZINC001208838386 813861817 /nfs/dbraw/zinc/86/18/17/813861817.db2.gz FFQYQQQJFVPKIO-OAHLLOKOSA-N 1 1 272.392 3.253 20 30 CGEDMO Cc1ncccc1C[N@@H+](C)CCCc1ccc(C#N)cc1 ZINC001208864713 813873794 /nfs/dbraw/zinc/87/37/94/813873794.db2.gz QJPUNNHBJJXSJG-UHFFFAOYSA-N 1 1 279.387 3.326 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](CCCc2ccc(C(=O)OCC)cc2)C1 ZINC001208869392 813873886 /nfs/dbraw/zinc/87/38/86/813873886.db2.gz MQGSKLOIODFUDI-MRXNPFEDSA-N 1 1 299.414 3.141 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001208867333 813874060 /nfs/dbraw/zinc/87/40/60/813874060.db2.gz BZVXSVGQAXWJSL-RBSFLKMASA-N 1 1 280.456 3.071 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC23CC3)C1 ZINC001208886691 813882534 /nfs/dbraw/zinc/88/25/34/813882534.db2.gz CUWPDYVYZGTQCK-OWCLPIDISA-N 1 1 292.467 3.193 20 30 CGEDMO C[C@@H](C[N@H+]1CCc2cc(C#N)ccc2C1)C(F)(F)F ZINC001208896841 813885737 /nfs/dbraw/zinc/88/57/37/813885737.db2.gz XNKCADCQMKUFLR-JTQLQIEISA-N 1 1 268.282 3.115 20 30 CGEDMO C[N@@H+](CCc1ccc(C#N)cc1)Cc1ccc(F)cc1 ZINC001208920233 813900152 /nfs/dbraw/zinc/90/01/52/813900152.db2.gz CBKXNWGBIWNRIV-UHFFFAOYSA-N 1 1 268.335 3.372 20 30 CGEDMO C[C@@H]1C(=O)CC[N@@H+](CCc2ccc(C#N)cc2)C12CCCC2 ZINC001208928747 813904151 /nfs/dbraw/zinc/90/41/51/813904151.db2.gz KTERFRZSCOVTPG-OAHLLOKOSA-N 1 1 296.414 3.324 20 30 CGEDMO C=CCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC001209160380 813951916 /nfs/dbraw/zinc/95/19/16/813951916.db2.gz VCCIZFXIRYIVEL-UHFFFAOYSA-N 1 1 282.428 3.284 20 30 CGEDMO C=CCCC[N@@H+](Cc1cccc(OC)c1)[C@@H](C)COC ZINC001209161619 813953850 /nfs/dbraw/zinc/95/38/50/813953850.db2.gz AODOYKCTHSBDIL-HNNXBMFYSA-N 1 1 277.408 3.498 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](Oc2cccc(C)n2)C1 ZINC001209165308 813955003 /nfs/dbraw/zinc/95/50/03/813955003.db2.gz QWSAAFPBDAPVAR-HNNXBMFYSA-N 1 1 260.381 3.199 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)CC1COC(C)(C)OC1 ZINC001209195693 813963087 /nfs/dbraw/zinc/96/30/87/813963087.db2.gz CKYBEBLWXUZCKO-UHFFFAOYSA-N 1 1 289.419 3.464 20 30 CGEDMO C=CCCCC[N@H+]1CCc2nc(Cl)ccc2C1 ZINC001209205425 813966522 /nfs/dbraw/zinc/96/65/22/813966522.db2.gz XJEVHOLTRRDUHV-UHFFFAOYSA-N 1 1 250.773 3.449 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@@]2(CCCCN2C(C)=O)C1 ZINC001209202663 813967270 /nfs/dbraw/zinc/96/72/70/813967270.db2.gz MRERMVHCKZHCHH-KRWDZBQOSA-N 1 1 278.440 3.210 20 30 CGEDMO C=CCCCC[N@H+]1CCc2cccc(C(=O)OC)c2C1 ZINC001209207214 813968383 /nfs/dbraw/zinc/96/83/83/813968383.db2.gz OUVBOZCSLUHWGE-UHFFFAOYSA-N 1 1 273.376 3.188 20 30 CGEDMO C=CCCCC[N@H+](CC(=O)OCC)C1CCCC1 ZINC001209208144 813968796 /nfs/dbraw/zinc/96/87/96/813968796.db2.gz KIHFQSNVSWTXCS-UHFFFAOYSA-N 1 1 253.386 3.150 20 30 CGEDMO C#CCCC[N@H+](C)[C@@H](CCC)C(=O)c1ccccc1 ZINC001209267816 813989120 /nfs/dbraw/zinc/98/91/20/813989120.db2.gz LDHNPUAUKVQCDM-INIZCTEOSA-N 1 1 257.377 3.383 20 30 CGEDMO CCCC[N@@H+](CCC#N)CC1CCC(OC)CC1 ZINC001209393802 814012550 /nfs/dbraw/zinc/01/25/50/814012550.db2.gz RHDNYGDOQHLHFQ-UHFFFAOYSA-N 1 1 252.402 3.207 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](C[C@@H]1C[C@@H]1C)[C@H]2CC ZINC001209411114 814017785 /nfs/dbraw/zinc/01/77/85/814017785.db2.gz BDPYUNSKAWLKKR-OVWQWFNUSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2OC ZINC001209423693 814025999 /nfs/dbraw/zinc/02/59/99/814025999.db2.gz CAFTZAOZHGECOR-PMPSAXMXSA-N 1 1 251.414 3.480 20 30 CGEDMO C=CCCCCC[N@H+]1Cc2ncn(C)c2[C@H](COCC)C1 ZINC001209423319 814026081 /nfs/dbraw/zinc/02/60/81/814026081.db2.gz SBUPBBSSSUBTBQ-HNNXBMFYSA-N 1 1 291.439 3.102 20 30 CGEDMO C=CCCCCC[N@@H+]1CCN(C)c2nc(C)ccc2C1 ZINC001209424119 814026116 /nfs/dbraw/zinc/02/61/16/814026116.db2.gz LADAOKCYGXUYER-UHFFFAOYSA-N 1 1 273.424 3.388 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@](C)(C(=O)OCC)C1 ZINC001209429126 814029449 /nfs/dbraw/zinc/02/94/49/814029449.db2.gz VNPKHWIPLHTFCG-MRXNPFEDSA-N 1 1 267.413 3.398 20 30 CGEDMO C=CCCCCCN1CC[N@H+](C)CC12CCCC2 ZINC001209432519 814033308 /nfs/dbraw/zinc/03/33/08/814033308.db2.gz FZJADNVHMHJITO-UHFFFAOYSA-N 1 1 250.430 3.293 20 30 CGEDMO C=CCCCCCC[N@@H+](C)CC(=O)OC(C)(C)C ZINC001209435011 814035189 /nfs/dbraw/zinc/03/51/89/814035189.db2.gz BVSDIXVXUKVHSO-UHFFFAOYSA-N 1 1 255.402 3.396 20 30 CGEDMO C=CCCCCCC[N@H+](C)CC(=O)OC(C)(C)C ZINC001209435011 814035195 /nfs/dbraw/zinc/03/51/95/814035195.db2.gz BVSDIXVXUKVHSO-UHFFFAOYSA-N 1 1 255.402 3.396 20 30 CGEDMO C=CCCCCCC[N@@H+]1CCC[C@H](C(=O)OC)CC1 ZINC001209438479 814038943 /nfs/dbraw/zinc/03/89/43/814038943.db2.gz LYUBTBJFYPTCBY-HNNXBMFYSA-N 1 1 267.413 3.398 20 30 CGEDMO C=CCCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)C ZINC001209439514 814039385 /nfs/dbraw/zinc/03/93/85/814039385.db2.gz RMBNFKLCOPFKGV-FVQHAEBGSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCCCCC[N@H+]1CCS[C@H](C(=O)OCC)C1 ZINC001209441539 814040655 /nfs/dbraw/zinc/04/06/55/814040655.db2.gz XPZAXMZPFSYWHK-AWEZNQCLSA-N 1 1 285.453 3.103 20 30 CGEDMO C=CCCCCCCC[NH+]1C[C@@H]2CN(CC)C[C@H]2C1 ZINC001209442004 814041330 /nfs/dbraw/zinc/04/13/30/814041330.db2.gz MUNGYXUEVQOWCV-IRXDYDNUSA-N 1 1 264.457 3.397 20 30 CGEDMO C=CCCCCCCC[N@H+]1C[C@H](C)[C@@H](C(=O)OC)C1 ZINC001209441774 814041651 /nfs/dbraw/zinc/04/16/51/814041651.db2.gz KBGICCRSYUVFBC-GJZGRUSLSA-N 1 1 267.413 3.254 20 30 CGEDMO C=CCCCCCCC[N@H+](CC)[C@@H](C)C(=O)OC ZINC001209443357 814043543 /nfs/dbraw/zinc/04/35/43/814043543.db2.gz RFZDXLVCHAZWGS-AWEZNQCLSA-N 1 1 255.402 3.396 20 30 CGEDMO Cc1[nH+]ccn1-c1ccc(Nc2ccc(C#N)nc2)cc1 ZINC001209569171 814087380 /nfs/dbraw/zinc/08/73/80/814087380.db2.gz SDUKTQCXPQVMFM-UHFFFAOYSA-N 1 1 275.315 3.191 20 30 CGEDMO C#CC1CC[NH+](Cc2cc(OC)c(Cl)cc2F)CC1 ZINC001209667794 814111485 /nfs/dbraw/zinc/11/14/85/814111485.db2.gz NJTNZABMUITAAR-UHFFFAOYSA-N 1 1 281.758 3.333 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC001209762876 814133637 /nfs/dbraw/zinc/13/36/37/814133637.db2.gz FQSSUXBWDIJUIQ-CQSZACIVSA-N 1 1 280.375 3.202 20 30 CGEDMO N#Cc1ccccc1Nc1cc[nH+]cc1C(F)(F)F ZINC001210734418 814601886 /nfs/dbraw/zinc/60/18/86/814601886.db2.gz GJEANEJVADADSY-UHFFFAOYSA-N 1 1 263.222 3.138 20 30 CGEDMO Cc1[nH+]ccn1-c1ccc(NC2=CC(=O)C[C@@H](C)C2)cc1 ZINC001210777765 814622874 /nfs/dbraw/zinc/62/28/74/814622874.db2.gz ZDVCCERBQSGDJC-LBPRGKRZSA-N 1 1 281.359 3.476 20 30 CGEDMO Cc1ccc(Nc2cc[nH+]cc2C(F)(F)F)cc1C#N ZINC001216073179 815680231 /nfs/dbraw/zinc/68/02/31/815680231.db2.gz WDOIJVGPEKNMBS-UHFFFAOYSA-N 1 1 277.249 3.446 20 30 CGEDMO CC(=O)Nc1cc(Nc2cccc(Cl)c2C#N)cc[nH+]1 ZINC001216127591 815707455 /nfs/dbraw/zinc/70/74/55/815707455.db2.gz XNPAEJMKMGKXOD-UHFFFAOYSA-N 1 1 286.722 3.309 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC)[C@@H]2C1 ZINC001221283021 816309578 /nfs/dbraw/zinc/30/95/78/816309578.db2.gz UXOQBLSLIPKUPI-IAGOWNOFSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[C@@H](C)CC)[C@@H]2C1 ZINC001221578172 816320905 /nfs/dbraw/zinc/32/09/05/816320905.db2.gz VXRZPJOSKCSFRN-GVDBMIGSSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)CC(=C)C)[C@@H]2C1 ZINC001221760945 816327286 /nfs/dbraw/zinc/32/72/86/816327286.db2.gz VFNUQQATIFEJCQ-GVDBMIGSSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@H+](CCCCC)C[C@H]32)C1 ZINC001221803885 816328277 /nfs/dbraw/zinc/32/82/77/816328277.db2.gz UWMIDMCOKZHFMH-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)CC(C)(C)C)[C@@H]2C1 ZINC001222038904 816340243 /nfs/dbraw/zinc/34/02/43/816340243.db2.gz YIFJEOHZNADLOE-HUUCEWRRSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)CCC2CCC2)CC1 ZINC001222769454 816514888 /nfs/dbraw/zinc/51/48/88/816514888.db2.gz QDNBVEZZHLNWMR-UHFFFAOYSA-N 1 1 298.858 3.147 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]2CC[N@H+](CCCCC)[C@H]2C1 ZINC001223406006 816623866 /nfs/dbraw/zinc/62/38/66/816623866.db2.gz KGMWBRYHGPZQAT-SJORKVTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@H]3CC[N@H+](CCC)[C@H]3C2)CCC1 ZINC001223460092 816634193 /nfs/dbraw/zinc/63/41/93/816634193.db2.gz ZWFSPLYHUMTRFW-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)C2(CC)CCC2)CC1 ZINC001224174138 816747257 /nfs/dbraw/zinc/74/72/57/816747257.db2.gz OLZFXLDVODUXIJ-UHFFFAOYSA-N 1 1 298.858 3.147 20 30 CGEDMO C=CCCCCCCCO[C@@H](C)C[NH+]1CCOCC1 ZINC001224507742 816816617 /nfs/dbraw/zinc/81/66/17/816816617.db2.gz LSGHFERULQPSAF-INIZCTEOSA-N 1 1 269.429 3.250 20 30 CGEDMO C=C[C@]1(C)CC[C@@H](OC[C@@H]2CCCC[N@@H+]2C)C(C)(C)O1 ZINC001224705971 816860599 /nfs/dbraw/zinc/86/05/99/816860599.db2.gz HXLJXFZJUWOESK-ZMSDIMECSA-N 1 1 281.440 3.390 20 30 CGEDMO C=C[C@@H](CCCCCC)OCCC[NH+]1CCOCC1 ZINC001224868293 816898138 /nfs/dbraw/zinc/89/81/38/816898138.db2.gz RJCWOXVMXPYJOO-INIZCTEOSA-N 1 1 269.429 3.250 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2ccccc2F)C1 ZINC001225200511 816957191 /nfs/dbraw/zinc/95/71/91/816957191.db2.gz JLTMGXNAXUWSED-INIZCTEOSA-N 1 1 296.345 3.351 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2ccccc2F)C1 ZINC001225200511 816957199 /nfs/dbraw/zinc/95/71/99/816957199.db2.gz JLTMGXNAXUWSED-INIZCTEOSA-N 1 1 296.345 3.351 20 30 CGEDMO N#Cc1ccc(O[C@H]2CCN3Cc4ccccc4[NH+]=C23)cc1 ZINC001225246956 816978687 /nfs/dbraw/zinc/97/86/87/816978687.db2.gz CZOBTNXPAODPDM-KRWDZBQOSA-N 1 1 289.338 3.255 20 30 CGEDMO Cc1c(C)c(OC2C[NH+](C(C)(C)C)C2)ccc1C#N ZINC001225513684 817081186 /nfs/dbraw/zinc/08/11/86/817081186.db2.gz RFOLVYQLTMVSDN-UHFFFAOYSA-N 1 1 258.365 3.037 20 30 CGEDMO Cc1c(C#N)ccc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C ZINC001225518120 817082006 /nfs/dbraw/zinc/08/20/06/817082006.db2.gz SEIGBZOYIZJUOU-MUJYYYPQSA-N 1 1 270.376 3.179 20 30 CGEDMO CC[N@H+]1CCC[C@@H](Oc2cc(Cl)cc(C#N)c2)C1 ZINC001225699470 817147230 /nfs/dbraw/zinc/14/72/30/817147230.db2.gz HRUQRXXEVYMDDQ-CYBMUJFWSA-N 1 1 264.756 3.075 20 30 CGEDMO C=C(C)n1c2ccccc2nc1OC1C[NH+](C(C)(C)C)C1 ZINC001226218807 817301130 /nfs/dbraw/zinc/30/11/30/817301130.db2.gz MTTCEWPIJBXUTE-UHFFFAOYSA-N 1 1 285.391 3.388 20 30 CGEDMO C#C[C@H](CC(C)C)Oc1cc(N)[nH+]c2ccccc21 ZINC001226423382 817352102 /nfs/dbraw/zinc/35/21/02/817352102.db2.gz WJGUFJWSZTWRFF-GFCCVEGCSA-N 1 1 254.333 3.244 20 30 CGEDMO CC[N@H+]1CCC[C@@H](Oc2cc(C)c(C#N)cc2C)C1 ZINC001228146447 817824198 /nfs/dbraw/zinc/82/41/98/817824198.db2.gz BSIDBJSWMHBGHQ-OAHLLOKOSA-N 1 1 258.365 3.038 20 30 CGEDMO CC(=O)/C=C/c1ccc(O[C@@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)cc1 ZINC001228495183 817921446 /nfs/dbraw/zinc/92/14/46/817921446.db2.gz YFEGXSJATOGBTB-PWZXEPMNSA-N 1 1 299.414 3.398 20 30 CGEDMO CC(=O)/C=C\c1ccc(O[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC001228495719 817922562 /nfs/dbraw/zinc/92/25/62/817922562.db2.gz FMADEYMERHNTPC-CHYADLBTSA-N 1 1 273.376 3.150 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](C)CCC ZINC001231140240 818042004 /nfs/dbraw/zinc/04/20/04/818042004.db2.gz VGCAYGXPKCJRGW-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1CC1CCCCC1 ZINC001231177364 818052968 /nfs/dbraw/zinc/05/29/68/818052968.db2.gz DFEJHLYAUMPVOJ-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)/C=C/c1ccco1 ZINC001231301691 818072132 /nfs/dbraw/zinc/07/21/32/818072132.db2.gz ZSYDDCLNRAHUAV-NKSUMMKUSA-N 1 1 290.407 3.086 20 30 CGEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc3ccc(C#N)cc3n1)C2 ZINC001231371473 818087538 /nfs/dbraw/zinc/08/75/38/818087538.db2.gz VOCKMFMTFDRZLN-ZSHCYNCHSA-N 1 1 293.370 3.110 20 30 CGEDMO C=CCCC[N@@H+](C)CCCNC(=O)CCC1CCCC1 ZINC001231395512 818091474 /nfs/dbraw/zinc/09/14/74/818091474.db2.gz VWORJHBCRSUWQK-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1c[nH]c2cccnc12 ZINC001231487871 818111148 /nfs/dbraw/zinc/11/11/48/818111148.db2.gz DHVIMIWVXZPXGM-UHFFFAOYSA-N 1 1 256.353 3.079 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1c[nH]c2cccnc12 ZINC001231487871 818111150 /nfs/dbraw/zinc/11/11/50/818111150.db2.gz DHVIMIWVXZPXGM-UHFFFAOYSA-N 1 1 256.353 3.079 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CC[C@]3(C2)CCCCO3)c1 ZINC001231621018 818138399 /nfs/dbraw/zinc/13/83/99/818138399.db2.gz LYDPBQJECNPPLF-SFHVURJKSA-N 1 1 287.403 3.396 20 30 CGEDMO C=CCOc1cccc(CN2CC[N@H+](C(C)C)[C@@H](C)C2)c1 ZINC001231624929 818140805 /nfs/dbraw/zinc/14/08/05/818140805.db2.gz NBGKCOFLGZALBM-INIZCTEOSA-N 1 1 288.435 3.166 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CC[C@H](CC(=O)OCC)[C@@H](C)C2)c1 ZINC001231664659 818153877 /nfs/dbraw/zinc/15/38/77/818153877.db2.gz UGAIPXUMXHGVIB-MAUKXSAKSA-N 1 1 299.414 3.079 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2ccnc(C(F)F)c2)CC1 ZINC001231891121 818203699 /nfs/dbraw/zinc/20/36/99/818203699.db2.gz BQRVGIXNRBZMOP-NSHDSACASA-N 1 1 265.307 3.145 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2ccnc(C(F)F)c2)CC1 ZINC001231891121 818203704 /nfs/dbraw/zinc/20/37/04/818203704.db2.gz BQRVGIXNRBZMOP-NSHDSACASA-N 1 1 265.307 3.145 20 30 CGEDMO CCCCCCC[N@@H+](CC)Cc1cnc(OC)cn1 ZINC001231937689 818214771 /nfs/dbraw/zinc/21/47/71/818214771.db2.gz HQSGFVIRBBCMFP-UHFFFAOYSA-N 1 1 265.401 3.278 20 30 CGEDMO CCCCCCC[N@@H+](C)Cc1cc(OC)ccn1 ZINC001231968539 818218386 /nfs/dbraw/zinc/21/83/86/818218386.db2.gz YXJBDSBGJKUASH-UHFFFAOYSA-N 1 1 250.386 3.492 20 30 CGEDMO Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@@H](C#N)C1 ZINC001232006591 818230184 /nfs/dbraw/zinc/23/01/84/818230184.db2.gz JJJPFBQAIASPDW-NSHDSACASA-N 1 1 268.282 3.359 20 30 CGEDMO Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@H](C#N)C1 ZINC001232006591 818230187 /nfs/dbraw/zinc/23/01/87/818230187.db2.gz JJJPFBQAIASPDW-NSHDSACASA-N 1 1 268.282 3.359 20 30 CGEDMO C[C@]1(CF)CC[N@@H+](Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232112227 818258008 /nfs/dbraw/zinc/25/80/08/818258008.db2.gz RXICDHISOOBHOO-CQSZACIVSA-N 1 1 266.747 3.393 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(Cl)c2)CC[C@@]1(C)O ZINC001232112426 818258572 /nfs/dbraw/zinc/25/85/72/818258572.db2.gz WAAUVVDAGHUHDU-MLGOLLRUSA-N 1 1 292.810 3.195 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)c(Cl)c2)CCCO1 ZINC001232115634 818259882 /nfs/dbraw/zinc/25/98/82/818259882.db2.gz XMFGIMXVTAXXFD-UHFFFAOYSA-N 1 1 278.783 3.213 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccnc(C(C)(C)C)c2)C1 ZINC001232217994 818282500 /nfs/dbraw/zinc/28/25/00/818282500.db2.gz RUZVBAZBEUEJMD-CQSZACIVSA-N 1 1 256.393 3.224 20 30 CGEDMO C[N@H+](Cc1cccc(Cl)c1)Cc1cc(C#N)ccn1 ZINC001232480660 818364376 /nfs/dbraw/zinc/36/43/76/818364376.db2.gz IAZMQDYSGMHGJA-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO C[N@@H+](Cc1cccc(Cl)c1)Cc1cc(C#N)ccn1 ZINC001232480660 818364384 /nfs/dbraw/zinc/36/43/84/818364384.db2.gz IAZMQDYSGMHGJA-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO N#Cc1ccnc(C[N@H+]2CCC[C@@H]2c2cccs2)c1 ZINC001232480651 818365016 /nfs/dbraw/zinc/36/50/16/818365016.db2.gz HLNAAWQSIYFLSR-CQSZACIVSA-N 1 1 269.373 3.352 20 30 CGEDMO COc1cccc(C)c1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001232624887 818403519 /nfs/dbraw/zinc/40/35/19/818403519.db2.gz HQMUELXWGDTPDK-CQSZACIVSA-N 1 1 258.365 3.129 20 30 CGEDMO N#CCC[N@H+](Cc1cncc2cnccc21)C1CCCC1 ZINC001232650991 818409927 /nfs/dbraw/zinc/40/99/27/818409927.db2.gz JWLCNKXABPRJDO-UHFFFAOYSA-N 1 1 280.375 3.288 20 30 CGEDMO N#CCC[N@@H+](Cc1cncc2cnccc21)C1CCCC1 ZINC001232650991 818409929 /nfs/dbraw/zinc/40/99/29/818409929.db2.gz JWLCNKXABPRJDO-UHFFFAOYSA-N 1 1 280.375 3.288 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)Cc1ccnc(C(=O)OC)c1 ZINC001232773436 818436058 /nfs/dbraw/zinc/43/60/58/818436058.db2.gz WCCYJLNIYBHSBT-UHFFFAOYSA-N 1 1 296.370 3.056 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccnc(C(=O)OC)c1 ZINC001232773436 818436059 /nfs/dbraw/zinc/43/60/59/818436059.db2.gz WCCYJLNIYBHSBT-UHFFFAOYSA-N 1 1 296.370 3.056 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)Cc1ccc(C(C)(C)O)nc1 ZINC001232828867 818449870 /nfs/dbraw/zinc/44/98/70/818449870.db2.gz YUNDHUVVPIKOSO-UHFFFAOYSA-N 1 1 296.414 3.497 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(C(C)(C)O)nc1 ZINC001232828867 818449872 /nfs/dbraw/zinc/44/98/72/818449872.db2.gz YUNDHUVVPIKOSO-UHFFFAOYSA-N 1 1 296.414 3.497 20 30 CGEDMO CCCCCCCC[N@H+](C)Cc1[nH]cnc1C(=O)OCC ZINC001232918176 818473670 /nfs/dbraw/zinc/47/36/70/818473670.db2.gz IYWGWWAEFLZNNG-UHFFFAOYSA-N 1 1 295.427 3.379 20 30 CGEDMO CCCCCCCC[N@@H+](C)Cc1[nH]cnc1C(=O)OCC ZINC001232918176 818473672 /nfs/dbraw/zinc/47/36/72/818473672.db2.gz IYWGWWAEFLZNNG-UHFFFAOYSA-N 1 1 295.427 3.379 20 30 CGEDMO N#CCC[N@H+](Cc1ccc2ncoc2c1)C1CCCC1 ZINC001232942441 818478848 /nfs/dbraw/zinc/47/88/48/818478848.db2.gz YPQDBQJEEYIZRH-UHFFFAOYSA-N 1 1 269.348 3.486 20 30 CGEDMO N#CCC[N@@H+](Cc1ccc2ncoc2c1)C1CCCC1 ZINC001232942441 818478851 /nfs/dbraw/zinc/47/88/51/818478851.db2.gz YPQDBQJEEYIZRH-UHFFFAOYSA-N 1 1 269.348 3.486 20 30 CGEDMO Cc1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c(C#N)c1 ZINC001232962642 818483919 /nfs/dbraw/zinc/48/39/19/818483919.db2.gz PLQFEBSCPXEBBN-GASCZTMLSA-N 1 1 254.377 3.489 20 30 CGEDMO COc1ccccc1C1CC[NH+](Cc2[nH]ccc2C#N)CC1 ZINC001233046544 818508614 /nfs/dbraw/zinc/50/86/14/818508614.db2.gz CCTSPCIQKMFJBT-UHFFFAOYSA-N 1 1 295.386 3.275 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@](C)(F)[C@@H](F)C1 ZINC001233080729 818519372 /nfs/dbraw/zinc/51/93/72/818519372.db2.gz VIYRNXSDEUENJL-GJZGRUSLSA-N 1 1 264.319 3.139 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@](C)(F)[C@@H](F)C1 ZINC001233080729 818519377 /nfs/dbraw/zinc/51/93/77/818519377.db2.gz VIYRNXSDEUENJL-GJZGRUSLSA-N 1 1 264.319 3.139 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@]2(C1)CCCCO2 ZINC001233080687 818519967 /nfs/dbraw/zinc/51/99/67/818519967.db2.gz SYUVQAZXBLUVFK-KRWDZBQOSA-N 1 1 270.376 3.012 20 30 CGEDMO CCOc1ncc(Cl)cc1C[NH+]1CCC(S)CC1 ZINC001233171827 818533318 /nfs/dbraw/zinc/53/33/18/818533318.db2.gz IVNLTWNCOUPKHQ-UHFFFAOYSA-N 1 1 286.828 3.028 20 30 CGEDMO CC(C)(C)c1ccc(O)c(C[N@@H+]2CC[C@@H](C#N)C2)c1 ZINC001233286138 818567694 /nfs/dbraw/zinc/56/76/94/818567694.db2.gz GXTBCFZKJVOSBL-LBPRGKRZSA-N 1 1 258.365 3.035 20 30 CGEDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CC[C@@H](C#N)C2)c1 ZINC001233286138 818567700 /nfs/dbraw/zinc/56/77/00/818567700.db2.gz GXTBCFZKJVOSBL-LBPRGKRZSA-N 1 1 258.365 3.035 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cnc2cccc(Cl)n12 ZINC001233359274 818597118 /nfs/dbraw/zinc/59/71/18/818597118.db2.gz PQYZZPKIOGFDLW-UHFFFAOYSA-N 1 1 261.756 3.162 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@H+](Cc1ccc(N)cc1Cl)CC2 ZINC001233373998 818602092 /nfs/dbraw/zinc/60/20/92/818602092.db2.gz LQNUOWQUILMUPK-UHFFFAOYSA-N 1 1 297.789 3.352 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@@H+](Cc1ccc(N)cc1Cl)CC2 ZINC001233373998 818602094 /nfs/dbraw/zinc/60/20/94/818602094.db2.gz LQNUOWQUILMUPK-UHFFFAOYSA-N 1 1 297.789 3.352 20 30 CGEDMO C[N@H+](CCc1ccc(F)cc1)Cc1ccc(C#N)cc1O ZINC001233386436 818606633 /nfs/dbraw/zinc/60/66/33/818606633.db2.gz UDLITLIGIFCDHS-UHFFFAOYSA-N 1 1 284.334 3.077 20 30 CGEDMO C[N@@H+](CCc1ccc(F)cc1)Cc1ccc(C#N)cc1O ZINC001233386436 818606640 /nfs/dbraw/zinc/60/66/40/818606640.db2.gz UDLITLIGIFCDHS-UHFFFAOYSA-N 1 1 284.334 3.077 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1[O-])Cc1cccc(F)c1F ZINC001233387227 818607708 /nfs/dbraw/zinc/60/77/08/818607708.db2.gz AKUOVPZQXOWLJA-UHFFFAOYSA-N 1 1 288.297 3.174 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H](Oc2ccc(C(=O)CC#N)cc2)C1 ZINC001233526382 818634070 /nfs/dbraw/zinc/63/40/70/818634070.db2.gz QAYWOHBTVZBRBA-MRXNPFEDSA-N 1 1 286.375 3.035 20 30 CGEDMO Cc1cc(C[N@H+]2CCC3SC(=O)C=C3C2)sc1C ZINC001233666733 818674600 /nfs/dbraw/zinc/67/46/00/818674600.db2.gz XZCGUJAJMNCHKD-CYBMUJFWSA-N 1 1 279.430 3.139 20 30 CGEDMO Cc1cc(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)sc1C ZINC001233666733 818674605 /nfs/dbraw/zinc/67/46/05/818674605.db2.gz XZCGUJAJMNCHKD-CYBMUJFWSA-N 1 1 279.430 3.139 20 30 CGEDMO Cc1cc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)sc1C ZINC001233666733 818674610 /nfs/dbraw/zinc/67/46/10/818674610.db2.gz XZCGUJAJMNCHKD-CYBMUJFWSA-N 1 1 279.430 3.139 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C(F)=C1CCCC1 ZINC001233683484 818680173 /nfs/dbraw/zinc/68/01/73/818680173.db2.gz QJFSEUXJKSAPFV-HNNXBMFYSA-N 1 1 294.414 3.283 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)[C@H]1CC=CCC1 ZINC001233834839 818715425 /nfs/dbraw/zinc/71/54/25/818715425.db2.gz DDGZILKMSWJRPC-HOTGVXAUSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)c1cc(Cl)c[nH]1 ZINC001233895855 818725846 /nfs/dbraw/zinc/72/58/46/818725846.db2.gz CIVIPXPYNYEODF-LBPRGKRZSA-N 1 1 297.830 3.075 20 30 CGEDMO CCCCCCC[N@@H+](C)CCCNC(=O)CCCC(C)=O ZINC001233905115 818727631 /nfs/dbraw/zinc/72/76/31/818727631.db2.gz ZKQDMPQPYULCFN-UHFFFAOYSA-N 1 1 298.471 3.154 20 30 CGEDMO C[N@H+]1CCC[C@H](Oc2ccc(Cl)c(C#N)c2)CC1 ZINC001233920326 818730675 /nfs/dbraw/zinc/73/06/75/818730675.db2.gz GGLKVRXUJQIUMB-LBPRGKRZSA-N 1 1 264.756 3.075 20 30 CGEDMO CC(=NO)c1ccc(O[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC001234084291 818776528 /nfs/dbraw/zinc/77/65/28/818776528.db2.gz WTKHEMHAXJSTPL-MRXNPFEDSA-N 1 1 276.380 3.136 20 30 CGEDMO CCOC(=[NH2+])c1ccc(O[C@H](C)[C@H](C)S)cc1 ZINC001234588756 818887812 /nfs/dbraw/zinc/88/78/12/818887812.db2.gz ROVGNLZKGVBHLB-ZJUUUORDSA-N 1 1 253.367 3.134 20 30 CGEDMO C=CCCCCCCCCCN1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001234971036 818968182 /nfs/dbraw/zinc/96/81/82/818968182.db2.gz NMSNCKWXGLRNEN-QZTJIDSGSA-N 1 1 294.483 3.213 20 30 CGEDMO CCCCCCC[N@H+](CC)Cc1ncc(F)cn1 ZINC001235001649 818975114 /nfs/dbraw/zinc/97/51/14/818975114.db2.gz AQOSTXFNZFRLOC-UHFFFAOYSA-N 1 1 253.365 3.408 20 30 CGEDMO CCCCCCC[N@@H+](CC)Cc1ncc(F)cn1 ZINC001235001649 818975121 /nfs/dbraw/zinc/97/51/21/818975121.db2.gz AQOSTXFNZFRLOC-UHFFFAOYSA-N 1 1 253.365 3.408 20 30 CGEDMO C=CCCCCCCCCN1C[C@H]2C[NH2+]CC[C@H]21 ZINC001235255181 819052014 /nfs/dbraw/zinc/05/20/14/819052014.db2.gz CZDGMESBVJWNPA-HZPDHXFCSA-N 1 1 250.430 3.197 20 30 CGEDMO CCCCCCCCCCN1C[C@H]2C[NH2+]CC[C@H]21 ZINC001235264344 819056636 /nfs/dbraw/zinc/05/66/36/819056636.db2.gz WYXKOFYOAVXSLN-HZPDHXFCSA-N 1 1 252.446 3.421 20 30 CGEDMO N#CCc1ccccc1C[N@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001235514231 819112237 /nfs/dbraw/zinc/11/22/37/819112237.db2.gz JDTVUDKKAUNOON-NVXWUHKLSA-N 1 1 254.377 3.375 20 30 CGEDMO C[C@@]1(F)CC[N@H+](Cc2ccccc2CC#N)C[C@H]1F ZINC001235510426 819112615 /nfs/dbraw/zinc/11/26/15/819112615.db2.gz AXBRRTFCIZSWGA-HUUCEWRRSA-N 1 1 264.319 3.025 20 30 CGEDMO C[C@@]1(F)CC[N@@H+](Cc2ccccc2CC#N)C[C@H]1F ZINC001235510426 819112619 /nfs/dbraw/zinc/11/26/19/819112619.db2.gz AXBRRTFCIZSWGA-HUUCEWRRSA-N 1 1 264.319 3.025 20 30 CGEDMO Cc1cnc2c(c1)C[N@@H+](Cc1ccccc1CC#N)CC2 ZINC001235525913 819114900 /nfs/dbraw/zinc/11/49/00/819114900.db2.gz SKKURYMGHFNEIR-UHFFFAOYSA-N 1 1 277.371 3.014 20 30 CGEDMO Cc1cnc2c(c1)C[N@H+](Cc1ccccc1CC#N)CC2 ZINC001235525913 819114905 /nfs/dbraw/zinc/11/49/05/819114905.db2.gz SKKURYMGHFNEIR-UHFFFAOYSA-N 1 1 277.371 3.014 20 30 CGEDMO N#Cc1cc(F)c(C[N@@H+]2CC[C@H](c3ccccn3)C2)c(F)c1 ZINC001235655833 819130099 /nfs/dbraw/zinc/13/00/99/819130099.db2.gz AHSRPUDCKSLASH-ZDUSSCGKSA-N 1 1 299.324 3.221 20 30 CGEDMO N#Cc1cc(F)c(C[N@H+]2CC[C@H](c3ccccn3)C2)c(F)c1 ZINC001235655833 819130103 /nfs/dbraw/zinc/13/01/03/819130103.db2.gz AHSRPUDCKSLASH-ZDUSSCGKSA-N 1 1 299.324 3.221 20 30 CGEDMO C=CCCCCC[N@H+]1CCN[C@@H](c2ccccc2)C1 ZINC001235860265 819188965 /nfs/dbraw/zinc/18/89/65/819188965.db2.gz SNLWNHYIJGMYAD-QGZVFWFLSA-N 1 1 258.409 3.379 20 30 CGEDMO C=CCCCCCN1CC[NH2+][C@@H](c2ccccc2)C1 ZINC001235860265 819188969 /nfs/dbraw/zinc/18/89/69/819188969.db2.gz SNLWNHYIJGMYAD-QGZVFWFLSA-N 1 1 258.409 3.379 20 30 CGEDMO C[N@H+]1CCc2cc(-c3ccc(F)c(C#N)c3)ccc2C1 ZINC001235895109 819205127 /nfs/dbraw/zinc/20/51/27/819205127.db2.gz CXGQKVJDUIHCID-UHFFFAOYSA-N 1 1 266.319 3.352 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)C[C@H]1[C@@H](C)CNCC1(F)F ZINC001235963096 819250821 /nfs/dbraw/zinc/25/08/21/819250821.db2.gz UFCPOCDUIAGEPV-HOCLYGCPSA-N 1 1 294.389 3.165 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCNC[C@H]2CCC)CC1 ZINC001236131316 819333853 /nfs/dbraw/zinc/33/38/53/819333853.db2.gz ADMGTWOEAVTQRV-IAGOWNOFSA-N 1 1 262.441 3.363 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCNC[C@H]2CCC)CC1 ZINC001236131316 819333861 /nfs/dbraw/zinc/33/38/61/819333861.db2.gz ADMGTWOEAVTQRV-IAGOWNOFSA-N 1 1 262.441 3.363 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc2ncc(Br)cc2c1 ZINC001237168405 819687468 /nfs/dbraw/zinc/68/74/68/819687468.db2.gz UKWGPSDTZQFIIQ-UHFFFAOYSA-N 1 1 289.176 3.062 20 30 CGEDMO CCOc1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)c(F)c1 ZINC001237635901 819793419 /nfs/dbraw/zinc/79/34/19/819793419.db2.gz WWEPGKSQQMVFFC-CYBMUJFWSA-N 1 1 276.355 3.350 20 30 CGEDMO CCOc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)c(F)c1 ZINC001237635901 819793421 /nfs/dbraw/zinc/79/34/21/819793421.db2.gz WWEPGKSQQMVFFC-CYBMUJFWSA-N 1 1 276.355 3.350 20 30 CGEDMO CC1(C)C[N@@H+](Cc2cc(Cl)cc(C#N)c2)[C@](C)(CO)C1 ZINC001237746430 819833637 /nfs/dbraw/zinc/83/36/37/819833637.db2.gz MYQBCASXVUGMJM-INIZCTEOSA-N 1 1 292.810 3.195 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(OC)c(OC)c1C(F)(F)F ZINC001237765095 819837082 /nfs/dbraw/zinc/83/70/82/819837082.db2.gz WRLWFNDXKYFVEI-UHFFFAOYSA-N 1 1 289.297 3.340 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2cnc(C3CC3)s2)CC1 ZINC001237790851 819843026 /nfs/dbraw/zinc/84/30/26/819843026.db2.gz VUZJQKRIUVROCT-LLVKDONJSA-N 1 1 261.394 3.146 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c(Cl)c1 ZINC001238082618 819928369 /nfs/dbraw/zinc/92/83/69/819928369.db2.gz KLXQXMMMUYKDRH-SGMGOOAPSA-N 1 1 264.731 3.144 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2ccc(Cl)c(C#N)c2)[C@H](C)C1 ZINC001238195772 819952075 /nfs/dbraw/zinc/95/20/75/819952075.db2.gz LGLPPMQXBVBFJT-RISCZKNCSA-N 1 1 278.783 3.211 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(O)c(OCc2ccccc2)c1 ZINC001238253125 819967943 /nfs/dbraw/zinc/96/79/43/819967943.db2.gz YKTNJYAOTSLZHO-UHFFFAOYSA-N 1 1 281.355 3.036 20 30 CGEDMO C=CC[N@H+](C)Cc1cc(C)cc(Br)c1OC ZINC001238322615 819973882 /nfs/dbraw/zinc/97/38/82/819973882.db2.gz FXWWYVPJCMQRMV-UHFFFAOYSA-N 1 1 284.197 3.384 20 30 CGEDMO Cc1cnc(C[N@H+](CCC#N)C2CCCC2)c(C)c1 ZINC001238430197 819995732 /nfs/dbraw/zinc/99/57/32/819995732.db2.gz QNPHYGZGRHYUMW-UHFFFAOYSA-N 1 1 257.381 3.357 20 30 CGEDMO Cc1cnc(C[N@@H+](CCC#N)C2CCCC2)c(C)c1 ZINC001238430197 819995741 /nfs/dbraw/zinc/99/57/41/819995741.db2.gz QNPHYGZGRHYUMW-UHFFFAOYSA-N 1 1 257.381 3.357 20 30 CGEDMO N#Cc1c2c(cnc1-c1ccc(Cl)c(O)c1)C[NH2+]CCC2 ZINC001243576807 823451183 /nfs/dbraw/zinc/45/11/83/823451183.db2.gz NRPWQHKCINVFCB-UHFFFAOYSA-N 1 1 299.761 3.015 20 30 CGEDMO CCc1cc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)ccc1C#N ZINC001238766551 820111083 /nfs/dbraw/zinc/11/10/83/820111083.db2.gz PHQLCBVSUOSBNI-MLGOLLRUSA-N 1 1 260.356 3.301 20 30 CGEDMO CCc1cc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)ccc1C#N ZINC001238766551 820111085 /nfs/dbraw/zinc/11/10/85/820111085.db2.gz PHQLCBVSUOSBNI-MLGOLLRUSA-N 1 1 260.356 3.301 20 30 CGEDMO CCc1cc(C[N@@H+](CC2CC2)C2CC2)ccc1C#N ZINC001238768846 820113188 /nfs/dbraw/zinc/11/31/88/820113188.db2.gz NBUUMDUJQYRLNW-UHFFFAOYSA-N 1 1 254.377 3.495 20 30 CGEDMO CCc1cc(C[N@H+]2CCC[C@@H](C#N)CC2)ccc1C#N ZINC001238777723 820116929 /nfs/dbraw/zinc/11/69/29/820116929.db2.gz HDUPOZMAAVUFOW-CQSZACIVSA-N 1 1 267.376 3.246 20 30 CGEDMO Cc1[nH+]ccn1-c1ccc(-c2ccc(Cl)c(C#N)c2)nn1 ZINC001240401248 821022741 /nfs/dbraw/zinc/02/27/41/821022741.db2.gz QKDCAJITJAVOKS-UHFFFAOYSA-N 1 1 295.733 3.163 20 30 CGEDMO C/C(=N\O)c1ccc(-c2c[nH+]c(N(C)C)cc2C)cc1 ZINC001241252645 821673882 /nfs/dbraw/zinc/67/38/82/821673882.db2.gz WEQSQZBNQAMKAF-LDADJPATSA-N 1 1 269.348 3.321 20 30 CGEDMO C#Cc1ccc(-c2cccc(CN3CCC([NH3+])CC3)c2)cc1 ZINC001242295619 822942083 /nfs/dbraw/zinc/94/20/83/822942083.db2.gz DLEPCRQGVMSGEX-UHFFFAOYSA-N 1 1 290.410 3.258 20 30 CGEDMO C[N@H+](Cc1ccc(C2=CC(=O)CC(C)(C)C2)nc1)C1CC1 ZINC001242315210 822949164 /nfs/dbraw/zinc/94/91/64/822949164.db2.gz UGDVNPWHYNFKTR-UHFFFAOYSA-N 1 1 284.403 3.448 20 30 CGEDMO C[N@@H+](Cc1ccc(C2=CC(=O)CC(C)(C)C2)nc1)C1CC1 ZINC001242315210 822949165 /nfs/dbraw/zinc/94/91/65/822949165.db2.gz UGDVNPWHYNFKTR-UHFFFAOYSA-N 1 1 284.403 3.448 20 30 CGEDMO Cc1ccc(C#N)cc1-c1cc(-n2ccnc2)cc[nH+]1 ZINC001242543997 823025657 /nfs/dbraw/zinc/02/56/57/823025657.db2.gz PYLDLRILMQLWRK-UHFFFAOYSA-N 1 1 260.300 3.114 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC001342229052 936462376 /nfs/dbraw/zinc/46/23/76/936462376.db2.gz RSUOTHDNYGJOGP-NSHDSACASA-N 1 1 269.747 3.256 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC001342229052 936462379 /nfs/dbraw/zinc/46/23/79/936462379.db2.gz RSUOTHDNYGJOGP-NSHDSACASA-N 1 1 269.747 3.256 20 30 CGEDMO CC[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C(C)(C)C ZINC001344569521 936538689 /nfs/dbraw/zinc/53/86/89/936538689.db2.gz QKELGZJCTYMYPJ-UHFFFAOYSA-N 1 1 261.325 3.087 20 30 CGEDMO CC[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C(C)(C)C ZINC001344569521 936538691 /nfs/dbraw/zinc/53/86/91/936538691.db2.gz QKELGZJCTYMYPJ-UHFFFAOYSA-N 1 1 261.325 3.087 20 30 CGEDMO C#CC[N@H+](C[C@@H](C)c1ccc(OC)cc1)CC1CC1 ZINC001347099206 936870136 /nfs/dbraw/zinc/87/01/36/936870136.db2.gz UEOHECREEODHHM-CQSZACIVSA-N 1 1 257.377 3.144 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC001347840295 936898546 /nfs/dbraw/zinc/89/85/46/936898546.db2.gz RTJBZOAOPLCLBT-OAHLLOKOSA-N 1 1 261.413 3.031 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)CCCC)C1 ZINC001479902585 936921207 /nfs/dbraw/zinc/92/12/07/936921207.db2.gz SVHWQXLKVZZCCV-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)C2(CCC)CC2)C1 ZINC001479963894 936949487 /nfs/dbraw/zinc/94/94/87/936949487.db2.gz YOWFEAFZPVPOFJ-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)C[C@H](C)CCC)C1 ZINC001480073741 937006282 /nfs/dbraw/zinc/00/62/82/937006282.db2.gz VXTAERLKGHBWLT-IAGOWNOFSA-N 1 1 292.467 3.006 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1nccc2c1CCCC2 ZINC001351949469 937029396 /nfs/dbraw/zinc/02/93/96/937029396.db2.gz UDTVREMVMAARIY-UHFFFAOYSA-N 1 1 291.398 3.464 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC(C)=C(C)C)C1 ZINC001480381066 937047936 /nfs/dbraw/zinc/04/79/36/937047936.db2.gz AIKVCFRYTPQNNN-HZPDHXFCSA-N 1 1 278.440 3.136 20 30 CGEDMO CCOc1ccc2c(c1)C[N@H+](CC1(CC#N)CC1)CC2 ZINC001352887595 937052795 /nfs/dbraw/zinc/05/27/95/937052795.db2.gz KWIAZFANJGOQLE-UHFFFAOYSA-N 1 1 270.376 3.137 20 30 CGEDMO C=CCCC[N@H+](CC)[C@@H]1CCN(C2CCCCC2)C1=O ZINC001473862066 937825720 /nfs/dbraw/zinc/82/57/20/937825720.db2.gz VCEICOVALUNCON-MRXNPFEDSA-N 1 1 278.440 3.208 20 30 CGEDMO C=C(C)CC[N@H+](C)CCNC(=O)[C@]1(C)CCC[C@H]1CC ZINC001480879785 926711885 /nfs/dbraw/zinc/71/18/85/926711885.db2.gz SGZKJMCYTHLOIH-NVXWUHKLSA-N 1 1 280.456 3.217 20 30 CGEDMO CC(C)O[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2Cl)C1 ZINC001140602795 926801494 /nfs/dbraw/zinc/80/14/94/926801494.db2.gz PPCJKQFIMDYTIF-CQSZACIVSA-N 1 1 278.783 3.211 20 30 CGEDMO CC(C)O[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2Cl)C1 ZINC001140602795 926801505 /nfs/dbraw/zinc/80/15/05/926801505.db2.gz PPCJKQFIMDYTIF-CQSZACIVSA-N 1 1 278.783 3.211 20 30 CGEDMO C=CCCC[N@H+](CCNC(=O)c1cccc(C)c1)C1CC1 ZINC001493347151 926863906 /nfs/dbraw/zinc/86/39/06/926863906.db2.gz ZPIRWFXRWRJCGP-UHFFFAOYSA-N 1 1 286.419 3.155 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C[C@H](C)CCC ZINC001481030781 926865948 /nfs/dbraw/zinc/86/59/48/926865948.db2.gz MKMGRRKNIIHHNB-OCCSQVGLSA-N 1 1 286.847 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C[C@H](C)CCC ZINC001481030781 926865956 /nfs/dbraw/zinc/86/59/56/926865956.db2.gz MKMGRRKNIIHHNB-OCCSQVGLSA-N 1 1 286.847 3.146 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001481060225 926875991 /nfs/dbraw/zinc/87/59/91/926875991.db2.gz YAJKBAQGDKVNSM-BRWVUGGUSA-N 1 1 292.467 3.215 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@H](C)CCCCC ZINC001481061490 926877850 /nfs/dbraw/zinc/87/78/50/926877850.db2.gz YFPHCSPZUUWGBZ-SJORKVTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](CNC(=O)C2(CCC)CC2)C1 ZINC001481109494 926887477 /nfs/dbraw/zinc/88/74/77/926887477.db2.gz BEIIFNAXNPFELZ-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCC[N@H+](CCNC(=O)[C@@H](C)CCC(C)(C)C)C1CC1 ZINC001481194400 926905032 /nfs/dbraw/zinc/90/50/32/926905032.db2.gz HIQISUAKRPAFLM-HNNXBMFYSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)CC ZINC001481384478 926972614 /nfs/dbraw/zinc/97/26/14/926972614.db2.gz VWMYSDPWQYFOHB-OAGGEKHMSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCCC(=O)N(CCC)[C@H]1CC[N@@H+](CC[C@@H](C)F)C1 ZINC001481398417 926978319 /nfs/dbraw/zinc/97/83/19/926978319.db2.gz UCWYROZGXMSPOH-CABCVRRESA-N 1 1 284.419 3.014 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)C(C)(C)C2CC2)C1 ZINC001481446431 926985540 /nfs/dbraw/zinc/98/55/40/926985540.db2.gz LQXSAYSACZGZDP-OAHLLOKOSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)CCCC)C1 ZINC001481485480 927002141 /nfs/dbraw/zinc/00/21/41/927002141.db2.gz YPMVKVATYRADDF-CVEARBPZSA-N 1 1 280.456 3.169 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](CCC)CC(C)C)C1 ZINC001481530380 927015913 /nfs/dbraw/zinc/01/59/13/927015913.db2.gz PKRQGZGUJUUNMF-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](CCC)CC(C)C)C1 ZINC001481530380 927015926 /nfs/dbraw/zinc/01/59/26/927015926.db2.gz PKRQGZGUJUUNMF-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(C)C ZINC001481664893 927049623 /nfs/dbraw/zinc/04/96/23/927049623.db2.gz PPIXQDOVGHPZQF-HOTGVXAUSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@@H+](C/C=C/Cl)C2)CCCC1 ZINC001481697457 927059436 /nfs/dbraw/zinc/05/94/36/927059436.db2.gz VTLVSBUEWJBODL-SEIPJRMCSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@H+](C/C=C/Cl)C2)CCCC1 ZINC001481697457 927059451 /nfs/dbraw/zinc/05/94/51/927059451.db2.gz VTLVSBUEWJBODL-SEIPJRMCSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)CC[C@H](C)CC)C1 ZINC001481778290 927086727 /nfs/dbraw/zinc/08/67/27/927086727.db2.gz UJVGTHNFOYEOOQ-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CCC(=O)N(C)CC[N@H+](C)[C@H](C)c1ccccc1 ZINC001496709148 927234871 /nfs/dbraw/zinc/23/48/71/927234871.db2.gz AWYNZPWLBZUNPL-MRXNPFEDSA-N 1 1 288.435 3.494 20 30 CGEDMO C=CCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C1CCC1 ZINC001482430695 927238578 /nfs/dbraw/zinc/23/85/78/927238578.db2.gz RWBSINJAXUWVLJ-SFHVURJKSA-N 1 1 298.430 3.078 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC(CC)CC)CC[C@H]21 ZINC001482668162 927346594 /nfs/dbraw/zinc/34/65/94/927346594.db2.gz VFJKGGLGUUFYNM-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@H]2C2CCCCC2)CCC1 ZINC001307421491 927460786 /nfs/dbraw/zinc/46/07/86/927460786.db2.gz GYRGHLZPCOOPFZ-SJORKVTESA-N 1 1 290.451 3.476 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(C)s1 ZINC001483304484 927476625 /nfs/dbraw/zinc/47/66/25/927476625.db2.gz OIJFJHMCWSNMSB-GFCCVEGCSA-N 1 1 280.437 3.073 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H](C)C[N@@H+](C)CCC(C)(C)C ZINC001483374115 927490060 /nfs/dbraw/zinc/49/00/60/927490060.db2.gz JTCHLCBPIQDUFK-HUUCEWRRSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CC[N@H+](C)C[C@@H](C)NC(=O)CCC1CCCCCC1 ZINC001483364233 927491148 /nfs/dbraw/zinc/49/11/48/927491148.db2.gz PQHRNQQLQPEALO-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC(C)(C)C1 ZINC001483383692 927494023 /nfs/dbraw/zinc/49/40/23/927494023.db2.gz LZAXEADZXBLHQR-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO CC#CC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)CC1CCCCC1 ZINC001483415463 927501791 /nfs/dbraw/zinc/50/17/91/927501791.db2.gz OSGKKHJKZJUWCT-CVEARBPZSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CCCCCC(=O)N[C@H]1CCC[N@H+](CCCCC)[C@@H]1C ZINC001507372239 927501876 /nfs/dbraw/zinc/50/18/76/927501876.db2.gz JMADAAJFNAPTRK-SJORKVTESA-N 1 1 292.467 3.339 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@]2(CC[N@@H+](CCC3CC3)C2)C1 ZINC001483841017 927633964 /nfs/dbraw/zinc/63/39/64/927633964.db2.gz GYIPYNJINDIFCU-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)CCC)C2)C1 ZINC001483839383 927633989 /nfs/dbraw/zinc/63/39/89/927633989.db2.gz VLUMPKCSOIBVJZ-SJLPKXTDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)CC)C1 ZINC001484168037 927685962 /nfs/dbraw/zinc/68/59/62/927685962.db2.gz VBLCRDNBJKZNNX-KRWDZBQOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)CCCCCC)C1 ZINC001484176969 927687867 /nfs/dbraw/zinc/68/78/67/927687867.db2.gz ZDTDGXPFGOKFFV-KRWDZBQOSA-N 1 1 280.456 3.361 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCCCC(C)C ZINC001484465749 927708209 /nfs/dbraw/zinc/70/82/09/927708209.db2.gz UOLWRSCXUBUVMI-IRXDYDNUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C2(CC)CCC2)CC1 ZINC001484720465 927744371 /nfs/dbraw/zinc/74/43/71/927744371.db2.gz PJBVKKMFURIFCH-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@H+](C)CCCN(C)C(=O)c1sccc1F ZINC001484740431 927747916 /nfs/dbraw/zinc/74/79/16/927747916.db2.gz BAAUQYWDZPFBAL-UHFFFAOYSA-N 1 1 298.427 3.247 20 30 CGEDMO CN(CCC[N@@H+](C)CCCC(C)(C)C)C(=O)C#CC1CC1 ZINC001484741805 927749521 /nfs/dbraw/zinc/74/95/21/927749521.db2.gz DVUCKVDOTJDJEN-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCCC[N@H+](C)CCCN(C)C(=O)[C@]1(C)C=CCC1 ZINC001484755463 927756688 /nfs/dbraw/zinc/75/66/88/927756688.db2.gz UBEGFRGQFHDNBL-QGZVFWFLSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC(C)C)C2 ZINC001484826256 927760268 /nfs/dbraw/zinc/76/02/68/927760268.db2.gz SWXGZFJITPYAGM-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[N@H+](CCC2CC2)CC1(C)C ZINC001484938378 927774470 /nfs/dbraw/zinc/77/44/70/927774470.db2.gz ZQESHPVYPQCXMH-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)CCCCCCCC)C[C@H]1C ZINC001484986021 927780371 /nfs/dbraw/zinc/78/03/71/927780371.db2.gz NWGHQRPXAMDEPP-IAGOWNOFSA-N 1 1 292.467 3.339 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1ccc(C)s1 ZINC001485272212 927840890 /nfs/dbraw/zinc/84/08/90/927840890.db2.gz MVODOOQVVLWRPC-OLZOCXBDSA-N 1 1 294.464 3.461 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)C[C@@H]1CC=CCC1 ZINC001485339081 927851711 /nfs/dbraw/zinc/85/17/11/927851711.db2.gz WFJRIYMOOOTZGH-HZPDHXFCSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H](C)[N@@H+](C)Cc1cccc(C)c1 ZINC001485338227 927853954 /nfs/dbraw/zinc/85/39/54/927853954.db2.gz GXVJHRJRCVGCNT-HNNXBMFYSA-N 1 1 288.435 3.144 20 30 CGEDMO C=CC[C@H]1[N@@H+](CCC(=O)OC(C)C)CCCC1(C)C ZINC001473431524 937198961 /nfs/dbraw/zinc/19/89/61/937198961.db2.gz FZHPYQJQNHYKJN-CQSZACIVSA-N 1 1 267.413 3.395 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)C(C)(CC)CC ZINC001485387241 927862833 /nfs/dbraw/zinc/86/28/33/927862833.db2.gz JRXAPQJSHYSLCF-AWEZNQCLSA-N 1 1 268.445 3.215 20 30 CGEDMO C#CCCCCC(=O)NC[C@H]1CCCCC[N@@H+]1CC(=C)C ZINC001485477906 927875080 /nfs/dbraw/zinc/87/50/80/927875080.db2.gz KFBSEXVQWGEXTI-QGZVFWFLSA-N 1 1 290.451 3.117 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)/C=C(\C)C2CC2)[C@H]1C ZINC001486172344 927992801 /nfs/dbraw/zinc/99/28/01/927992801.db2.gz UKAGTYLPSXVVJS-UVTURKTISA-N 1 1 290.451 3.278 20 30 CGEDMO CC#CC[N@H+](C)CCN(C(=O)[C@H](C)CCCC)C(C)C ZINC001486367580 928009641 /nfs/dbraw/zinc/00/96/41/928009641.db2.gz IXNJCHUPPAVSJI-MRXNPFEDSA-N 1 1 280.456 3.005 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)c1cc(C)ccc1C)C(C)C ZINC001486380124 928014419 /nfs/dbraw/zinc/01/44/19/928014419.db2.gz YVRAJEFSZQZJGX-UHFFFAOYSA-N 1 1 288.435 3.272 20 30 CGEDMO C=CCCCC(=O)NC1C[NH+]([C@H](C)c2ccccc2C)C1 ZINC001494447300 928058571 /nfs/dbraw/zinc/05/85/71/928058571.db2.gz ZTDRLGDKNNEMNJ-OAHLLOKOSA-N 1 1 286.419 3.213 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)CC(C)(C)CC)C2)C1 ZINC001323859805 928083809 /nfs/dbraw/zinc/08/38/09/928083809.db2.gz YWDUSAGDYRZNOQ-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO CC(C)n1ccc2c1nc[nH+]c2NCCCCC#N ZINC001157641780 928116680 /nfs/dbraw/zinc/11/66/80/928116680.db2.gz GJDJTSCLCZKQQE-UHFFFAOYSA-N 1 1 257.341 3.118 20 30 CGEDMO CC[C@H]1C[C@H]([N@@H+](CCC#N)C2CCCC2)CCO1 ZINC001170217505 928118511 /nfs/dbraw/zinc/11/85/11/928118511.db2.gz BJJXBSSAZVVFRN-CABCVRRESA-N 1 1 250.386 3.102 20 30 CGEDMO CC[C@H]1CCCCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000217835499 928161231 /nfs/dbraw/zinc/16/12/31/928161231.db2.gz JQKYXBFQCGEXAC-DLBZAZTESA-N 1 1 272.392 3.246 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C)s2)[C@H]1C ZINC001489242924 928317299 /nfs/dbraw/zinc/31/72/99/928317299.db2.gz SCKIGZHDCXBTFG-KGLIPLIRSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCCC1CC1 ZINC001489327605 928328542 /nfs/dbraw/zinc/32/85/42/928328542.db2.gz AUJMHWBFZJMYIF-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1ccc(C)cc1 ZINC001489331263 928329599 /nfs/dbraw/zinc/32/95/99/928329599.db2.gz QVKCCQGDZUKEOA-KRWDZBQOSA-N 1 1 286.419 3.108 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCNC(=O)[C@]1(C)CCC[C@H]1C ZINC001490243725 928335153 /nfs/dbraw/zinc/33/51/53/928335153.db2.gz IFAPEDYRJXTSMH-NVXWUHKLSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CCC(=O)NCC[N@H+](CC)Cc1cccc(F)c1 ZINC001492963360 937244283 /nfs/dbraw/zinc/24/42/83/937244283.db2.gz SLQDHSRYYODNSF-UHFFFAOYSA-N 1 1 292.398 3.120 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)c1ccccc1CC ZINC001490345194 928344023 /nfs/dbraw/zinc/34/40/23/928344023.db2.gz YBJHSBDUIVVHMM-UHFFFAOYSA-N 1 1 288.435 3.267 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)[C@]1(C)CCC[C@H]1C)C1CC1 ZINC001490385084 928351107 /nfs/dbraw/zinc/35/11/07/928351107.db2.gz FWBYOPLHDJHURC-CRAIPNDOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)[C@]1(C)CC=CCC1)C1CC1 ZINC001490373875 928353397 /nfs/dbraw/zinc/35/33/97/928353397.db2.gz AUFLOSCHKGXBEM-GOSISDBHSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CCCCC(C)C)C1 ZINC001490452964 928358351 /nfs/dbraw/zinc/35/83/51/928358351.db2.gz STYZZFVUTHWIIG-INIZCTEOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H](NC(=O)C[C@H]2CC=CCC2)C1 ZINC001490445652 928359298 /nfs/dbraw/zinc/35/92/98/928359298.db2.gz YGQOZCBJEHMUHW-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(CC)CC)C1 ZINC001490458700 928362609 /nfs/dbraw/zinc/36/26/09/928362609.db2.gz GEIKTFWDABQGKP-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)C=C2CCCCC2)C1 ZINC001490751534 928382751 /nfs/dbraw/zinc/38/27/51/928382751.db2.gz GKAMEHLWLUIYLK-KRWDZBQOSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C=C(C)C ZINC001490785321 928389714 /nfs/dbraw/zinc/38/97/14/928389714.db2.gz SBJDPFVVKSYWCO-CALCHBBNSA-N 1 1 290.451 3.374 20 30 CGEDMO CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001318442958 928437063 /nfs/dbraw/zinc/43/70/63/928437063.db2.gz OHKSKFDAQZGLAV-HOTGVXAUSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)CCc1ccc(CC)cc1 ZINC001307729837 928515010 /nfs/dbraw/zinc/51/50/10/928515010.db2.gz ZCXUVOBARDPHAU-UHFFFAOYSA-N 1 1 274.452 3.231 20 30 CGEDMO N#CC1(C[NH2+]Cc2cc3ccc(F)cc3[nH]c2=O)CCCC1 ZINC001413177732 928748024 /nfs/dbraw/zinc/74/80/24/928748024.db2.gz PMIXOSVVJDRLQI-UHFFFAOYSA-N 1 1 299.349 3.253 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C=C(CC)CC)C1 ZINC001490988077 928822498 /nfs/dbraw/zinc/82/24/98/928822498.db2.gz ZBLLCRROKWOYJW-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)/C=C\C(C)(C)C)C1 ZINC001490982931 928822782 /nfs/dbraw/zinc/82/27/82/928822782.db2.gz FMCXUXMHCMJCPQ-JBILIXEDSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)C[C@H]2C=CCC2)C1 ZINC001491090912 928831504 /nfs/dbraw/zinc/83/15/04/928831504.db2.gz ZXMYKLFAEPGEEC-DLBZAZTESA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C2CCC2)C1 ZINC001491113611 928833337 /nfs/dbraw/zinc/83/33/37/928833337.db2.gz IVUQDXUZYDYTCA-HNNXBMFYSA-N 1 1 292.467 3.217 20 30 CGEDMO C#CCCCC(=O)NC[C@@H]1CCCC[N@@H+]1CCCC(C)C ZINC001491209045 928843239 /nfs/dbraw/zinc/84/32/39/928843239.db2.gz WLLBXFKOHHWSGC-KRWDZBQOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCOc1cccc(NC(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001442169454 937341156 /nfs/dbraw/zinc/34/11/56/937341156.db2.gz AXNCENQYNOANOY-UHFFFAOYSA-N 1 1 290.407 3.168 20 30 CGEDMO C[N@H+]1CCC[C@@H]1CSc1nc2c(cc1C#N)CCCC2 ZINC001458916940 937476443 /nfs/dbraw/zinc/47/64/43/937476443.db2.gz YSBMNLKDCYUUAU-CQSZACIVSA-N 1 1 287.432 3.018 20 30 CGEDMO C#CCOCC[N@H+](C)CCSc1cccc(Cl)c1 ZINC001459895721 937505328 /nfs/dbraw/zinc/50/53/28/937505328.db2.gz VRASMEVYYXFLAC-UHFFFAOYSA-N 1 1 283.824 3.014 20 30 CGEDMO N#Cc1ccnc(C[NH2+]C2(c3cccc(F)c3)CCC2)c1 ZINC001460285400 937524432 /nfs/dbraw/zinc/52/44/32/937524432.db2.gz WAHDNKIHDHGVKZ-UHFFFAOYSA-N 1 1 281.334 3.261 20 30 CGEDMO C=CC[C@H](C(=O)OC)[N@H+]1CCCC(CC)(CC)C1 ZINC001460414497 937530092 /nfs/dbraw/zinc/53/00/92/937530092.db2.gz HZEUBURKIGCAQJ-CYBMUJFWSA-N 1 1 253.386 3.006 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC001460527800 937533744 /nfs/dbraw/zinc/53/37/44/937533744.db2.gz PBEVNFLDHJJBDB-HNNXBMFYSA-N 1 1 283.460 3.035 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1C[C@H](O)CCc1ccccc1 ZINC001460886773 937550164 /nfs/dbraw/zinc/55/01/64/937550164.db2.gz PQOUQZQUBUBKMF-QZTJIDSGSA-N 1 1 273.420 3.411 20 30 CGEDMO CCCCCCCCC[N@H+]1C2CCC1(C(N)=O)CC2 ZINC001460868153 937550592 /nfs/dbraw/zinc/55/05/92/937550592.db2.gz CLMXGIQZDHFOMX-UHFFFAOYSA-N 1 1 266.429 3.219 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)[C@@H](C)C1 ZINC001140117861 931955597 /nfs/dbraw/zinc/95/55/97/931955597.db2.gz AFJGGGHAGDDMMR-WFASDCNBSA-N 1 1 283.375 3.039 20 30 CGEDMO C=CCCC[N@@H+](CC)CCN1C[C@@H](C)C[C@H](C)C1 ZINC001460902731 937551483 /nfs/dbraw/zinc/55/14/83/937551483.db2.gz VLDVGPNWKRDQSF-HOTGVXAUSA-N 1 1 252.446 3.252 20 30 CGEDMO C=CCCC[N@H+](CC)CCN1C[C@@H](C)C[C@H](C)C1 ZINC001460902731 937551486 /nfs/dbraw/zinc/55/14/86/937551486.db2.gz VLDVGPNWKRDQSF-HOTGVXAUSA-N 1 1 252.446 3.252 20 30 CGEDMO C=CCCC[N@H+](CC)C[C@H](O)Cc1ccc(F)cc1 ZINC001460902168 937551914 /nfs/dbraw/zinc/55/19/14/937551914.db2.gz SFPNLJNKMRRPQB-MRXNPFEDSA-N 1 1 265.372 3.017 20 30 CGEDMO C=CCCC[N@H+](CC)CCC(=O)Nc1cccc(C#N)c1 ZINC001460898415 937552009 /nfs/dbraw/zinc/55/20/09/937552009.db2.gz FXOIJLNKZOGPCC-UHFFFAOYSA-N 1 1 285.391 3.175 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H]1Cc1ccnn1C ZINC001460979700 937558025 /nfs/dbraw/zinc/55/80/25/937558025.db2.gz YFUNYJWMGKQZRT-INIZCTEOSA-N 1 1 261.413 3.173 20 30 CGEDMO C#Cc1ccc(C[NH2+][C@H](C)CN2C[C@@H](C)C[C@H](C)C2)cc1 ZINC001461094394 937563518 /nfs/dbraw/zinc/56/35/18/937563518.db2.gz GOWDZXMBEARMCF-YESZJQIVSA-N 1 1 284.447 3.124 20 30 CGEDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(C#N)cc1C#N)C2 ZINC001229033380 932076545 /nfs/dbraw/zinc/07/65/45/932076545.db2.gz AJJQHVPVJKNABK-FVQHAEBGSA-N 1 1 295.386 3.213 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)CCCC(C)C)CC1 ZINC001229306145 932129245 /nfs/dbraw/zinc/12/92/45/932129245.db2.gz SFXKJWMYQTXKLM-UHFFFAOYSA-N 1 1 286.847 3.146 20 30 CGEDMO C=CCOc1ccccc1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001229614839 932179212 /nfs/dbraw/zinc/17/92/12/932179212.db2.gz YDOSEGXJKLLLBU-QDMKHBRRSA-N 1 1 273.376 3.255 20 30 CGEDMO C#CCOc1ccc(CNc2ccc(CC)c[nH+]2)cc1 ZINC001461711920 937593610 /nfs/dbraw/zinc/59/36/10/937593610.db2.gz SNDZOSXKHKGKNB-UHFFFAOYSA-N 1 1 266.344 3.268 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)C[C@]1(C)CCCCO1 ZINC001461896364 937604679 /nfs/dbraw/zinc/60/46/79/937604679.db2.gz JDOLFWLGGFAXTK-HNNXBMFYSA-N 1 1 252.402 3.207 20 30 CGEDMO CC[N@H+]1CC[C@H](Oc2c(C#N)cccc2C(C)(C)C)C1 ZINC001230632961 932601712 /nfs/dbraw/zinc/60/17/12/932601712.db2.gz OPJIYFLENQRWLJ-AWEZNQCLSA-N 1 1 272.392 3.329 20 30 CGEDMO C=CC[C@H](Oc1[nH+][nH]cc2nncc1-2)c1ccccc1 ZINC001230900867 932639379 /nfs/dbraw/zinc/63/93/79/932639379.db2.gz LPABJNNWKIZNRD-AWEZNQCLSA-N 1 1 266.304 3.049 20 30 CGEDMO C=C[C@@H](CCCCCC)Oc1[nH+][nH]cc2nncc1-2 ZINC001230900344 932639530 /nfs/dbraw/zinc/63/95/30/932639530.db2.gz GZRJQPNKUCMFDG-NSHDSACASA-N 1 1 260.341 3.257 20 30 CGEDMO C=CCc1cccc(O[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC001231008856 932656121 /nfs/dbraw/zinc/65/61/21/932656121.db2.gz CDILASKTUXUJFU-OAHLLOKOSA-N 1 1 254.333 3.005 20 30 CGEDMO C=CCc1cccc(OC2CC[NH+](CCF)CC2)c1 ZINC001231015423 932658589 /nfs/dbraw/zinc/65/85/89/932658589.db2.gz NGGKNNACTUKYHJ-UHFFFAOYSA-N 1 1 263.356 3.228 20 30 CGEDMO C[N@H+]1CCc2c(F)cc(-c3ccc(O)c(C#N)c3)cc2C1 ZINC001242566079 932703438 /nfs/dbraw/zinc/70/34/38/932703438.db2.gz IANNIIDZQICKBJ-UHFFFAOYSA-N 1 1 282.318 3.058 20 30 CGEDMO C#C[C@@H](N[C@@H]1CCC[N@H+](CC)C1)c1ccc(Cl)cc1F ZINC001462224893 937626076 /nfs/dbraw/zinc/62/60/76/937626076.db2.gz JQWKXZZLJCYRST-CZUORRHYSA-N 1 1 294.801 3.227 20 30 CGEDMO C=CCC1(C(=O)N(C)C[C@@H]2CC[N@H+]2CCC2CC2)CCC1 ZINC001316607252 932746487 /nfs/dbraw/zinc/74/64/87/932746487.db2.gz ZWAOABXFMYIZTR-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H](C)C1CCCCC1 ZINC001316604071 932747457 /nfs/dbraw/zinc/74/74/57/932747457.db2.gz RNMLEOXTWQMRGA-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C(=O)c1occc1C)C(C)C ZINC001332688388 932751980 /nfs/dbraw/zinc/75/19/80/932751980.db2.gz ILZACTQYMNIWDK-UHFFFAOYSA-N 1 1 292.423 3.337 20 30 CGEDMO CC(C)[C@]1(CO)CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC001334919800 932771923 /nfs/dbraw/zinc/77/19/23/932771923.db2.gz AAOPNBCGYNVFED-QGZVFWFLSA-N 1 1 278.440 3.191 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)C2(C)CC2)C1 ZINC001491930525 932797594 /nfs/dbraw/zinc/79/75/94/932797594.db2.gz YNCPGBUOMBVFLI-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H](C)CCC ZINC001492142649 932806744 /nfs/dbraw/zinc/80/67/44/932806744.db2.gz ABOHYAXZQWDPPO-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCNC(=O)[C@H]1CCC=CCCC1 ZINC001492298508 932815908 /nfs/dbraw/zinc/81/59/08/932815908.db2.gz FURRTLZNPUYMBK-INIZCTEOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CC[N@H+](C)CCNC(=O)[C@H](CC(C)C)c1ccccc1 ZINC001492448570 932817178 /nfs/dbraw/zinc/81/71/78/932817178.db2.gz XATHSADEWCPFIH-QGZVFWFLSA-N 1 1 288.435 3.050 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)c1cccc2cc[nH]c21 ZINC001492426217 932818131 /nfs/dbraw/zinc/81/81/31/932818131.db2.gz ACHRSIGDKQTGTK-AWEZNQCLSA-N 1 1 299.418 3.184 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](CCC)C1 ZINC001317202191 932818602 /nfs/dbraw/zinc/81/86/02/932818602.db2.gz FHSSHEQCPINFTO-NVXWUHKLSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)C(CC)CC)C1 ZINC001317369328 932855638 /nfs/dbraw/zinc/85/56/38/932855638.db2.gz AJHNVYYJNNNISS-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC001337728176 932857493 /nfs/dbraw/zinc/85/74/93/932857493.db2.gz PDWOIGNEQLUEGA-OAHLLOKOSA-N 1 1 291.439 3.032 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[C@@H]([N@H+](C)CC(=C)Cl)C1 ZINC001317379737 932861245 /nfs/dbraw/zinc/86/12/45/932861245.db2.gz QQCXKUATOPNEFW-HUUCEWRRSA-N 1 1 298.858 3.264 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[C@@H]([N@@H+](C)CC(=C)Cl)C1 ZINC001317379737 932861249 /nfs/dbraw/zinc/86/12/49/932861249.db2.gz QQCXKUATOPNEFW-HUUCEWRRSA-N 1 1 298.858 3.264 20 30 CGEDMO C#CC[NH+]1CCC(Nc2nc3cccc(C)c3s2)CC1 ZINC001307213922 932928913 /nfs/dbraw/zinc/92/89/13/932928913.db2.gz RZQPTOSPMKVMMT-UHFFFAOYSA-N 1 1 285.416 3.114 20 30 CGEDMO C#CCCCCCC[N@H+](C)CC(=O)Nc1cccc(C#C)c1 ZINC001307421106 932949312 /nfs/dbraw/zinc/94/93/12/932949312.db2.gz BMPQSDDBZICZQO-UHFFFAOYSA-N 1 1 296.414 3.122 20 30 CGEDMO C#CC[NH+](CC#C)Cc1ccc([C@@H](C)C(F)(F)F)cc1 ZINC001307486574 932960068 /nfs/dbraw/zinc/96/00/68/932960068.db2.gz IGUZWKOSCPEWCX-CYBMUJFWSA-N 1 1 279.305 3.421 20 30 CGEDMO N#CCC[N@@H+](CC1CC1)C[C@H]1CCCC12CCOCC2 ZINC001307513336 932963377 /nfs/dbraw/zinc/96/33/77/932963377.db2.gz IWDLAOUBDIQKAW-MRXNPFEDSA-N 1 1 276.424 3.209 20 30 CGEDMO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cc1cc(C#N)ccn1 ZINC001307518260 932964436 /nfs/dbraw/zinc/96/44/36/932964436.db2.gz CAVQVLAHQVPEGT-CRAIPNDOSA-N 1 1 291.398 3.406 20 30 CGEDMO C[C@H](c1ccccc1)[N@@H+](CCO)Cc1ccc(C#N)s1 ZINC001307592935 932973493 /nfs/dbraw/zinc/97/34/93/932973493.db2.gz QSOSQZQIBBFULB-CYBMUJFWSA-N 1 1 286.400 3.175 20 30 CGEDMO C=C(C)C[C@H]([NH2+][C@@H]1CCC[C@@H](CC)CC1)C(=O)OC ZINC001462506494 937646203 /nfs/dbraw/zinc/64/62/03/937646203.db2.gz PZEGUMNLCMASFW-KFWWJZLASA-N 1 1 267.413 3.443 20 30 CGEDMO C=CCOCC[N@@H+]1CC[C@H](C)C2(CCCCC2)C1 ZINC001307704117 932989815 /nfs/dbraw/zinc/98/98/15/932989815.db2.gz IJXMCGNSIHASDB-HNNXBMFYSA-N 1 1 251.414 3.481 20 30 CGEDMO N#Cc1ccnc(C[N@H+]2CCCC[C@@H]2C2CCC2)c1 ZINC001307902839 933017320 /nfs/dbraw/zinc/01/73/20/933017320.db2.gz CDIFHZWLXVNTLW-MRXNPFEDSA-N 1 1 255.365 3.108 20 30 CGEDMO CC[C@@]1(Cc2ccccc2)CCC[N@H+]1CCO[C@H](C)C#N ZINC001307919831 933020523 /nfs/dbraw/zinc/02/05/23/933020523.db2.gz XWJVEADFTNRNQX-AEFFLSMTSA-N 1 1 286.419 3.402 20 30 CGEDMO C=CC[N@@H+](C[C@@H]1CC[C@@H](c2ccccc2)O1)[C@@H](C)COC ZINC001307925078 933021812 /nfs/dbraw/zinc/02/18/12/933021812.db2.gz WZZSLEZRBPZFPP-SZMVWBNQSA-N 1 1 289.419 3.430 20 30 CGEDMO C=CC[N@H+](C[C@H]1Cc2cc(OC)ccc2O1)C(C)(C)C ZINC001307939821 933023529 /nfs/dbraw/zinc/02/35/29/933023529.db2.gz YKRBMHQBAOVQND-OAHLLOKOSA-N 1 1 275.392 3.285 20 30 CGEDMO C#CCOCC[N@@H+]1CCC[C@@]1(C)Cc1cccc(C)c1 ZINC001307971495 933027346 /nfs/dbraw/zinc/02/73/46/933027346.db2.gz AYWKQKMQTMICJS-SFHVURJKSA-N 1 1 271.404 3.042 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001308124147 933053425 /nfs/dbraw/zinc/05/34/25/933053425.db2.gz JWKODRFEYDEWHF-LSDHHAIUSA-N 1 1 296.455 3.435 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1cnc2ccc(C)cn12 ZINC001462636099 937655675 /nfs/dbraw/zinc/65/56/75/937655675.db2.gz PZEQAVAUAUVKPV-UHFFFAOYSA-N 1 1 257.381 3.431 20 30 CGEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2csc(C#N)c2)C1(C)C ZINC001308567765 933132818 /nfs/dbraw/zinc/13/28/18/933132818.db2.gz OLLUJWRTVGUSCP-UONOGXRCSA-N 1 1 278.421 3.255 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)[C@H]2C[C@@H](OC)C23CCC3)cc1 ZINC001308768051 933172816 /nfs/dbraw/zinc/17/28/16/933172816.db2.gz YIBSRUXRONHGHQ-DLBZAZTESA-N 1 1 269.388 3.057 20 30 CGEDMO C=CCC[C@H]([NH2+][C@H]1CCC[C@H](CC)C1)C(=O)OCC ZINC001308770445 933173804 /nfs/dbraw/zinc/17/38/04/933173804.db2.gz VZMNBYVDYKJXHU-KKUMJFAQSA-N 1 1 267.413 3.443 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1nc(C(F)(F)F)n2c1CCCC2 ZINC001308871884 933194018 /nfs/dbraw/zinc/19/40/18/933194018.db2.gz GJTHZEQVCDOCMJ-UHFFFAOYSA-N 1 1 287.329 3.246 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1nc(C(F)(F)F)n2c1CCCC2 ZINC001308871884 933194019 /nfs/dbraw/zinc/19/40/19/933194019.db2.gz GJTHZEQVCDOCMJ-UHFFFAOYSA-N 1 1 287.329 3.246 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)/C=C(/C)C1CC1 ZINC001317495679 933265134 /nfs/dbraw/zinc/26/51/34/933265134.db2.gz AFVRUXXUAYBXHT-NPCRWQHWSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCCCN(CC)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC001311400348 933294469 /nfs/dbraw/zinc/29/44/69/933294469.db2.gz JEJWDIGZWSFIJD-JKSUJKDBSA-N 1 1 295.471 3.247 20 30 CGEDMO C=CCC[N@H+](C)CCCNC(=O)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001316867979 933410569 /nfs/dbraw/zinc/41/05/69/933410569.db2.gz VVHMRBCCJWGBMV-ZSHCYNCHSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CC[C@@H](C)NC(=O)NCCC[N@H+](CC)C1CCCCC1 ZINC001312963792 933413529 /nfs/dbraw/zinc/41/35/29/933413529.db2.gz KBPOKEHYYIZGKC-OAHLLOKOSA-N 1 1 295.471 3.295 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H](NC(=O)c2ccco2)C1 ZINC001316937914 933461127 /nfs/dbraw/zinc/46/11/27/933461127.db2.gz OOFWCTPKFGWFCO-OAHLLOKOSA-N 1 1 292.423 3.444 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(CC)CC)[C@H]1CC ZINC001316741847 933477673 /nfs/dbraw/zinc/47/76/73/933477673.db2.gz FSGARTCGXIRTRF-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C[C@H](C(=O)N[C@H]1CC[N@@H+](CC(=C)C)[C@@H]1C)c1ccccc1 ZINC001316798855 933483008 /nfs/dbraw/zinc/48/30/08/933483008.db2.gz DMAQJHNSOGNAEW-NJAFHUGGSA-N 1 1 298.430 3.111 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCCC[N@H+](C)CC1CCCC1 ZINC001316839419 933486991 /nfs/dbraw/zinc/48/69/91/933486991.db2.gz CMYYDHJDZYEUQU-UHFFFAOYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC[N@@H+](CC)CCCNC(=O)C[C@@H]1CCCC[C@H]1C ZINC001316910592 933495833 /nfs/dbraw/zinc/49/58/33/933495833.db2.gz CJHLWQRMSIGRJL-CVEARBPZSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@@H+](CCCNC(=O)c1ccoc1Cl)C1CC1 ZINC001316917739 933495949 /nfs/dbraw/zinc/49/59/49/933495949.db2.gz MNVKIYLRQTUSFR-UHFFFAOYSA-N 1 1 296.798 3.093 20 30 CGEDMO C=CCCC(=O)N[C@H]1CCC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001316939080 933499696 /nfs/dbraw/zinc/49/96/96/933499696.db2.gz AYFKEVUBUYJIHR-WBVHZDCISA-N 1 1 286.419 3.294 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cocc2C)C1 ZINC001316948333 933500276 /nfs/dbraw/zinc/50/02/76/933500276.db2.gz UKSHGSKPGZPCPK-HUUCEWRRSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](CCCCCCC)C1 ZINC001316985065 933506282 /nfs/dbraw/zinc/50/62/82/933506282.db2.gz PFYZLLPZGKNTMP-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](NC(=O)c2cc[nH]c2C)C1 ZINC001316974800 933506625 /nfs/dbraw/zinc/50/66/25/933506625.db2.gz VDAFCPMJOSWPPH-OAHLLOKOSA-N 1 1 291.439 3.098 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC2(C)C)C1 ZINC001316984358 933506773 /nfs/dbraw/zinc/50/67/73/933506773.db2.gz JJSYATFHMTWVDK-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC[C@@H](C[N@@H+](C)CC(=C)C)C1 ZINC001317040106 933517899 /nfs/dbraw/zinc/51/78/99/933517899.db2.gz WYDKZKXGWWDWND-IRXDYDNUSA-N 1 1 292.467 3.335 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC001317035366 933519770 /nfs/dbraw/zinc/51/97/70/933519770.db2.gz LAJGMYRXUMWVPG-IAGOWNOFSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCF ZINC001317093610 933529851 /nfs/dbraw/zinc/52/98/51/933529851.db2.gz DDXUWLCEOZFUSP-GOOCMWNKSA-N 1 1 296.430 3.060 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)CC(C)C)C1 ZINC001317145052 933542973 /nfs/dbraw/zinc/54/29/73/933542973.db2.gz WIHRHPNZQTUDLE-INIZCTEOSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@H]1CCCC[N@H+]1CC(=C)C ZINC001317178330 933548735 /nfs/dbraw/zinc/54/87/35/933548735.db2.gz LNJNPUIGGTWQOT-NVXWUHKLSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCCC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CC(=C)Cl)C1 ZINC001317211140 933553560 /nfs/dbraw/zinc/55/35/60/933553560.db2.gz WTVCTZQIFPETLC-HUUCEWRRSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)CC1CC(C)(C)C1 ZINC001317457266 933594052 /nfs/dbraw/zinc/59/40/52/933594052.db2.gz PUJDJIOAODGTJN-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)c1cc(C)c(CC)s1 ZINC001317470071 933599767 /nfs/dbraw/zinc/59/97/67/933599767.db2.gz JKUDNDSBJBUBTA-UHFFFAOYSA-N 1 1 294.464 3.247 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C1CCCC1 ZINC001317491503 933602749 /nfs/dbraw/zinc/60/27/49/933602749.db2.gz KDHGFJIOYPORBS-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@H]1CC[N@H+](CCCC(C)C)C1 ZINC001317520813 933610424 /nfs/dbraw/zinc/61/04/24/933610424.db2.gz RDKNOKDGXYPLEH-MRXNPFEDSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)c1ccccc1Cl ZINC001317546329 933615501 /nfs/dbraw/zinc/61/55/01/933615501.db2.gz CFKOGGOMQQWBQR-UHFFFAOYSA-N 1 1 294.826 3.358 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ccccc2)C1 ZINC001317751075 933641909 /nfs/dbraw/zinc/64/19/09/933641909.db2.gz VLYCWQRBVGXTAS-QGZVFWFLSA-N 1 1 286.419 3.189 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)C[C@H]2C=CCC2)C1 ZINC001317749676 933642704 /nfs/dbraw/zinc/64/27/04/933642704.db2.gz IMMDERCEAUXAEH-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CCC)C(=O)CCC2CC2)C1 ZINC001317754085 933644098 /nfs/dbraw/zinc/64/40/98/933644098.db2.gz OPMALJWAISWAQM-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)CC(C)(C)CC)C1 ZINC001317757956 933645040 /nfs/dbraw/zinc/64/50/40/933645040.db2.gz BFYZGKUCKUUPGM-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](CCNC(=O)CC2=CCCCC2)C1 ZINC001317778073 933649567 /nfs/dbraw/zinc/64/95/67/933649567.db2.gz FUIJNGNMIKDACC-KRWDZBQOSA-N 1 1 290.451 3.281 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)CC[C@H](C)CC)C1 ZINC001317806090 933652313 /nfs/dbraw/zinc/65/23/13/933652313.db2.gz REXYBSXNIQVIFZ-CVEARBPZSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)CC[C@@H](C)CC)C1 ZINC001317806091 933652390 /nfs/dbraw/zinc/65/23/90/933652390.db2.gz REXYBSXNIQVIFZ-HOTGVXAUSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC)CC(C)C)C1 ZINC001317857126 933659108 /nfs/dbraw/zinc/65/91/08/933659108.db2.gz OJTQAVBBCKXKOL-DLBZAZTESA-N 1 1 294.483 3.415 20 30 CGEDMO C=C(C)CCC(=O)N1CCC(C[N@@H+](C)C/C=C/Cl)CC1 ZINC001317870171 933660804 /nfs/dbraw/zinc/66/08/04/933660804.db2.gz OLMXCGYBULSSEL-RUDMXATFSA-N 1 1 298.858 3.266 20 30 CGEDMO C=C(C)CCC(=O)NC1C[NH+]([C@@H](C)c2ccccc2C)C1 ZINC001318029335 933676497 /nfs/dbraw/zinc/67/64/97/933676497.db2.gz UJELNHSORRWYRZ-HNNXBMFYSA-N 1 1 286.419 3.213 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)C2(CCCC)CC2)C1 ZINC001318429741 933723276 /nfs/dbraw/zinc/72/32/76/933723276.db2.gz SSGXVCGYOXKJIK-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C=C)cc2)C1 ZINC001318430025 933724290 /nfs/dbraw/zinc/72/42/90/933724290.db2.gz VQJTUJPAGYORKY-GOSISDBHSA-N 1 1 298.430 3.442 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N(C)[C@H]1CC[N@@H+](CCCCCF)C1 ZINC001318430346 933724649 /nfs/dbraw/zinc/72/46/49/933724649.db2.gz ZHAQNURMCFKMQU-RDJZCZTQSA-N 1 1 298.446 3.261 20 30 CGEDMO CCCCCCCNC(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC001467122458 937715243 /nfs/dbraw/zinc/71/52/43/937715243.db2.gz VWJCAWSBZXGJNJ-UHFFFAOYSA-N 1 1 292.427 3.235 20 30 CGEDMO C#CC[N@H+](Cc1cc(=O)oc2cc(CC)ccc12)CC1CC1 ZINC001319446194 933876784 /nfs/dbraw/zinc/87/67/84/933876784.db2.gz LNEWPDIDHCVEHP-UHFFFAOYSA-N 1 1 295.382 3.201 20 30 CGEDMO CCCCCCCCCNC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC001467975227 937723486 /nfs/dbraw/zinc/72/34/86/937723486.db2.gz NZKYZXPERQXKLZ-IYBDPMFKSA-N 1 1 297.487 3.471 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@H]1CC[C@@H](SC)C1 ZINC001319646697 933908069 /nfs/dbraw/zinc/90/80/69/933908069.db2.gz PBIAVGIKLXFWED-LSDHHAIUSA-N 1 1 290.432 3.283 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)c1ccc(C)s1 ZINC001319966631 933968345 /nfs/dbraw/zinc/96/83/45/933968345.db2.gz MDDLBFVEXLRPGY-CYBMUJFWSA-N 1 1 294.464 3.415 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N(C)CC[N@@H+](C)Cc1ccccc1 ZINC001320043333 933985555 /nfs/dbraw/zinc/98/55/55/933985555.db2.gz STBKFBNVEQIMII-SFHVURJKSA-N 1 1 288.435 3.179 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@@H](C)c1ccsc1 ZINC001320041304 933986238 /nfs/dbraw/zinc/98/62/38/933986238.db2.gz CZTLEIHMQVIDQK-AWEZNQCLSA-N 1 1 294.464 3.208 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](CCc2ccccc2Cl)C1 ZINC001320038408 933986601 /nfs/dbraw/zinc/98/66/01/933986601.db2.gz RRBJXNLWHNQDRG-AWEZNQCLSA-N 1 1 265.784 3.159 20 30 CGEDMO C=C[C@H](COC)[NH2+]Cc1csc(-c2cccs2)n1 ZINC001320583935 934069321 /nfs/dbraw/zinc/06/93/21/934069321.db2.gz MWLXMRXLVYTUOM-SNVBAGLBSA-N 1 1 280.418 3.162 20 30 CGEDMO CC[N@@H+]1CCCC[C@@H]1CNC1CC(C#N)(c2ccccc2)C1 ZINC001321623149 934198778 /nfs/dbraw/zinc/19/87/78/934198778.db2.gz UAVYRCVEWUFDQN-JLAWEPINSA-N 1 1 297.446 3.074 20 30 CGEDMO CC[N@H+]1CCCC[C@@H]1CNC1CC(C#N)(c2ccccc2)C1 ZINC001321623149 934198786 /nfs/dbraw/zinc/19/87/86/934198786.db2.gz UAVYRCVEWUFDQN-JLAWEPINSA-N 1 1 297.446 3.074 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)C1(CC)CCC1 ZINC001322224232 934261169 /nfs/dbraw/zinc/26/11/69/934261169.db2.gz PZUZVNXPQILFGE-HUUCEWRRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(CF)cc1 ZINC001322305390 934275081 /nfs/dbraw/zinc/27/50/81/934275081.db2.gz DPCBBWRUPBBYCA-CQSZACIVSA-N 1 1 292.398 3.172 20 30 CGEDMO C=CC[C@@H](C)NC(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001471116207 937761625 /nfs/dbraw/zinc/76/16/25/937761625.db2.gz PZKXMNADJBQCGD-ZBFHGGJFSA-N 1 1 293.455 3.047 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)C(C)=C1CCCC1 ZINC001323211376 934373380 /nfs/dbraw/zinc/37/33/80/934373380.db2.gz LWZHOXQQQYVMPV-PBHICJAKSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@H]1CNC(=O)C1=CCCC1 ZINC001323212742 934373676 /nfs/dbraw/zinc/37/36/76/934373676.db2.gz RZVNLEARMSXJMF-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)C(C)C ZINC001323243871 934376239 /nfs/dbraw/zinc/37/62/39/934376239.db2.gz UIQFQEQSDMNPRT-CABCVRRESA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](C2CCN(C(=O)CC)CC2)C1 ZINC001323627361 934414353 /nfs/dbraw/zinc/41/43/53/934414353.db2.gz BWUZABPXQJJYDX-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)Cc1cccnc1N(C)C ZINC001323928823 934439092 /nfs/dbraw/zinc/43/90/92/934439092.db2.gz GXRJRHKGYUKJCF-UHFFFAOYSA-N 1 1 287.432 3.397 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)Cc1cccnc1N(C)C ZINC001323928823 934439098 /nfs/dbraw/zinc/43/90/98/934439098.db2.gz GXRJRHKGYUKJCF-UHFFFAOYSA-N 1 1 287.432 3.397 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC001323965732 934444435 /nfs/dbraw/zinc/44/44/35/934444435.db2.gz PQEAEVNDSZUFSA-RDFMZFSFSA-N 1 1 279.330 3.255 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@@H](C)C(C)C)CC1 ZINC001324333965 934486971 /nfs/dbraw/zinc/48/69/71/934486971.db2.gz GYOKKGZSBILWHH-ZDUSSCGKSA-N 1 1 286.847 3.002 20 30 CGEDMO C=CC[C@@H]([NH2+][C@@H](C)CC1CCCC1)C(=O)OCC ZINC001324625415 934533228 /nfs/dbraw/zinc/53/32/28/934533228.db2.gz NRMYJJRNHULCAT-GXTWGEPZSA-N 1 1 253.386 3.053 20 30 CGEDMO C#CC[N@H+](Cc1cccn1C1CC1)Cc1ccccc1 ZINC001324377400 934494430 /nfs/dbraw/zinc/49/44/30/934494430.db2.gz HEBFYJINZXXOBW-UHFFFAOYSA-N 1 1 264.372 3.458 20 30 CGEDMO C#CC[N@@H+](Cc1cccn1C1CC1)Cc1ccccc1 ZINC001324377400 934494432 /nfs/dbraw/zinc/49/44/32/934494432.db2.gz HEBFYJINZXXOBW-UHFFFAOYSA-N 1 1 264.372 3.458 20 30 CGEDMO C[C@H]1C[C@H]([NH2+]C2CC(C#N)(c3ccccc3)C2)c2nccn21 ZINC001324543986 934521118 /nfs/dbraw/zinc/52/11/18/934521118.db2.gz XBSCUMJWWSCIPW-VADGTKANSA-N 1 1 292.386 3.102 20 30 CGEDMO C=C[C@H](COC)[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC001324554299 934523666 /nfs/dbraw/zinc/52/36/66/934523666.db2.gz JCXOZVFTZXKVBE-GFCCVEGCSA-N 1 1 290.388 3.116 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@]1(C)CC[N@H+](CCC(=C)C)C1 ZINC001324619449 934532944 /nfs/dbraw/zinc/53/29/44/934532944.db2.gz KHCZPIXQQJLTLH-SFHVURJKSA-N 1 1 290.451 3.302 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@]1(C)CC[N@H+](CCCCC)C1 ZINC001324621410 934533103 /nfs/dbraw/zinc/53/31/03/934533103.db2.gz XYGSVLUNGWWUHW-KRWDZBQOSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@](C)(NC(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001324647818 934538885 /nfs/dbraw/zinc/53/88/85/934538885.db2.gz RFOANOHYKBNJMJ-MAUKXSAKSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(CNC(=O)[C@@H]1CCCC[N@@H+]1CCC)c1ccccc1 ZINC001324767435 934565474 /nfs/dbraw/zinc/56/54/74/934565474.db2.gz JIDLVDPYVXMULZ-KRWDZBQOSA-N 1 1 286.419 3.081 20 30 CGEDMO N#Cc1ccc(C[NH2+]C2(c3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC001473309160 937801383 /nfs/dbraw/zinc/80/13/83/937801383.db2.gz QEWXOJAOLLRZHO-UHFFFAOYSA-N 1 1 293.326 3.245 20 30 CGEDMO CC[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H]1C ZINC001473402811 937805169 /nfs/dbraw/zinc/80/51/69/937805169.db2.gz MZUOWPXBLZCRMW-AAEUAGOBSA-N 1 1 273.336 3.087 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](CCCOc2cc(C)cc(C)c2)C1 ZINC001325228583 934897119 /nfs/dbraw/zinc/89/71/19/934897119.db2.gz QBZJOSVTNNFURC-QGZVFWFLSA-N 1 1 289.419 3.349 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(C)cc2)C1 ZINC001325303891 934902542 /nfs/dbraw/zinc/90/25/42/934902542.db2.gz VHVKMKHINBSDFC-KRWDZBQOSA-N 1 1 297.402 3.162 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(C)C)C2 ZINC001325349695 934906336 /nfs/dbraw/zinc/90/63/36/934906336.db2.gz WADKAHPFPUINFE-XHSDSOJGSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)CCC ZINC001325880091 934936887 /nfs/dbraw/zinc/93/68/87/934936887.db2.gz JFOXXPCUPDRXQM-IXDOHACOSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCCCCC ZINC001325915546 934938906 /nfs/dbraw/zinc/93/89/06/934938906.db2.gz DGIFTPWXKRGRCP-HOTGVXAUSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)CC(C)(C)C)[C@@H]2C1 ZINC001325915011 934939387 /nfs/dbraw/zinc/93/93/87/934939387.db2.gz BTYZBWGFDBQDPL-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](CCc2ccc(F)cc2Cl)C1 ZINC001325928800 934940087 /nfs/dbraw/zinc/94/00/87/934940087.db2.gz TYFFPKIPPRMMKK-AWEZNQCLSA-N 1 1 283.774 3.299 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](C[C@@H]2Cc3cc(OC)ccc3O2)C1 ZINC001473627478 937814655 /nfs/dbraw/zinc/81/46/55/937814655.db2.gz LAHCWADJZHQZGO-YOEHRIQHSA-N 1 1 287.403 3.287 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)CC2CC2)C(C)(C)C1 ZINC001328060675 935113418 /nfs/dbraw/zinc/11/34/18/935113418.db2.gz MBCQILVAXZWDHX-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)CC(C)C)C(C)(C)C1 ZINC001328062883 935113440 /nfs/dbraw/zinc/11/34/40/935113440.db2.gz WUFALGITIYGKDK-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](CCC2CC2)[C@@H](C)C1 ZINC001328256976 935127171 /nfs/dbraw/zinc/12/71/71/935127171.db2.gz LIHCJAWGGQTWKY-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)c1sccc1C ZINC001328705082 935160645 /nfs/dbraw/zinc/16/06/45/935160645.db2.gz SASBAXQNQSRSBG-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)c1sccc1C ZINC001328705118 935161291 /nfs/dbraw/zinc/16/12/91/935161291.db2.gz SASBAXQNQSRSBG-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]1C[N@H+](C)CCCCC ZINC001328738706 935164243 /nfs/dbraw/zinc/16/42/43/935164243.db2.gz XMZDLVFJYLVQGQ-INIZCTEOSA-N 1 1 280.456 3.456 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@]1(C)C=CCC1 ZINC001328752655 935166717 /nfs/dbraw/zinc/16/67/17/935166717.db2.gz KRCXKEACQYGEDG-GOEBONIOSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@]1(C)C=CCC1 ZINC001328752655 935166720 /nfs/dbraw/zinc/16/67/20/935166720.db2.gz KRCXKEACQYGEDG-GOEBONIOSA-N 1 1 296.842 3.018 20 30 CGEDMO CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](CCC)C(C)C ZINC001328766109 935167357 /nfs/dbraw/zinc/16/73/57/935167357.db2.gz QUEYQYFWJJDWOJ-IAGOWNOFSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)CCC(=C)C ZINC001328764824 935167379 /nfs/dbraw/zinc/16/73/79/935167379.db2.gz DSORICBZYAGMHF-MRXNPFEDSA-N 1 1 292.467 3.478 20 30 CGEDMO C[C@@H](CNC(=O)C#CC(C)(C)C)[N@@H+](C)CCCC1CCC1 ZINC001329430313 935216373 /nfs/dbraw/zinc/21/63/73/935216373.db2.gz CKZMGIRMGHOQHX-HNNXBMFYSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)C[C@@H]1CC=CCC1 ZINC001329524902 935224052 /nfs/dbraw/zinc/22/40/52/935224052.db2.gz UGQMLDOZGHQZCJ-HZPDHXFCSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H](C)[N@H+](C)CCC(C)C)CC1 ZINC001329542159 935226293 /nfs/dbraw/zinc/22/62/93/935226293.db2.gz SOQCAILEMHYIAC-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)CNC(=O)[C@H](CC)CC1CCCC1 ZINC001329573935 935229523 /nfs/dbraw/zinc/22/95/23/935229523.db2.gz NVTQTOFMZFVQII-GDBMZVCRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)[C@H](C)CCC(C)(C)C ZINC001329593243 935231811 /nfs/dbraw/zinc/23/18/11/935231811.db2.gz YWWCBLSMQIVOBH-HUUCEWRRSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCCCC(C)(C)C)[C@@H]2C1 ZINC001330294838 935283109 /nfs/dbraw/zinc/28/31/09/935283109.db2.gz BGHKVNWPPBSEIK-PHZGNYQRSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cc3ccc(C)cc3[nH]2)C1 ZINC001330806040 935324016 /nfs/dbraw/zinc/32/40/16/935324016.db2.gz PGGPOIZZORURID-INIZCTEOSA-N 1 1 270.376 3.253 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@]12CCC[C@@H]1[N@@H+](CCC)CC2 ZINC001332089045 935438525 /nfs/dbraw/zinc/43/85/25/935438525.db2.gz ICAXIAWAEAEJGP-WMLDXEAASA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](CN2C[C@H](c3ccccc3)CC2=O)C1 ZINC001333711319 936058263 /nfs/dbraw/zinc/05/82/63/936058263.db2.gz ZFXPGGFLMCVMSG-SJLPKXTDSA-N 1 1 298.430 3.248 20 30 CGEDMO C[N@H+]1CCC[C@@]2(CCN(c3ccc(C#N)cc3Cl)C2)C1 ZINC001333720378 936059707 /nfs/dbraw/zinc/05/97/07/936059707.db2.gz ZYZRHXSFHGWOFR-MRXNPFEDSA-N 1 1 289.810 3.134 20 30 CGEDMO O[C@]1(c2ccccc2)CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001333732173 936060372 /nfs/dbraw/zinc/06/03/72/936060372.db2.gz AWJNQYCPIIMNHC-HXUWFJFHSA-N 1 1 291.394 3.022 20 30 CGEDMO C=C(C)C[N@@H+](Cc1c(C)cnn1COC)Cc1ccccc1 ZINC001333763010 936064105 /nfs/dbraw/zinc/06/41/05/936064105.db2.gz QTOICFSKNJMUMJ-UHFFFAOYSA-N 1 1 299.418 3.374 20 30 CGEDMO C=C(C)C[N@H+](Cc1c(C)cnn1COC)Cc1ccccc1 ZINC001333763010 936064110 /nfs/dbraw/zinc/06/41/10/936064110.db2.gz QTOICFSKNJMUMJ-UHFFFAOYSA-N 1 1 299.418 3.374 20 30 CGEDMO CC[C@]1(CO)CCC[N@@H+](Cc2c(C)cc(C#N)cc2C)C1 ZINC001335840702 936164309 /nfs/dbraw/zinc/16/43/09/936164309.db2.gz XUUBLXRDBGCULP-SFHVURJKSA-N 1 1 286.419 3.160 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001336038850 936172779 /nfs/dbraw/zinc/17/27/79/936172779.db2.gz CVLPODDMRMNNOX-MRXNPFEDSA-N 1 1 278.440 3.256 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC001337648415 936277053 /nfs/dbraw/zinc/27/70/53/936277053.db2.gz DKFPCRCKNRLINS-CQSZACIVSA-N 1 1 257.333 3.210 20 30 CGEDMO C[C@@H](Nc1cc(C#N)ccn1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001337832972 936292506 /nfs/dbraw/zinc/29/25/06/936292506.db2.gz RIBGCWCQBUIUFN-HIFRSBDPSA-N 1 1 284.407 3.018 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1Cc2c[nH]nc2C[C@H](C)C1 ZINC001473797511 937822085 /nfs/dbraw/zinc/82/20/85/937822085.db2.gz QXPAEHKWLLWRRW-STQMWFEESA-N 1 1 280.375 3.037 20 30 CGEDMO CCC[C@H]1CCC[N@H+]1CCOc1ccc(C#N)cc1OC ZINC001473859875 937824972 /nfs/dbraw/zinc/82/49/72/937824972.db2.gz YRXQKNCAMBSPFL-HNNXBMFYSA-N 1 1 288.391 3.210 20 30 CGEDMO CCc1ccc(NCc2ccc(C#N)cc2F)[nH+]c1 ZINC001474246517 937846065 /nfs/dbraw/zinc/84/60/65/937846065.db2.gz XGBDELIHKOXNDH-UHFFFAOYSA-N 1 1 255.296 3.267 20 30 CGEDMO C=CCCn1cc(C[N@H+](CCc2ccccc2)C(C)C)nn1 ZINC001474362628 937854228 /nfs/dbraw/zinc/85/42/28/937854228.db2.gz NVDULLPGEMRHHP-UHFFFAOYSA-N 1 1 298.434 3.307 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)Cc1cccc(C#N)n1 ZINC001474383992 937856402 /nfs/dbraw/zinc/85/64/02/937856402.db2.gz JOQPVKMLYAVDJA-UHFFFAOYSA-N 1 1 277.371 3.184 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2sc(N(C)C)nc2Cl)C1 ZINC001474594902 937869486 /nfs/dbraw/zinc/86/94/86/937869486.db2.gz CLWWYDIGSMDNII-NSHDSACASA-N 1 1 297.855 3.098 20 30 CGEDMO COc1cc(F)cc(C[N@@H+](C)CCc2cccc(C#N)c2)c1 ZINC001474675109 937874553 /nfs/dbraw/zinc/87/45/53/937874553.db2.gz RHQGBAKGXKBRHO-UHFFFAOYSA-N 1 1 298.361 3.380 20 30 CGEDMO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C[C@@H](CC)C(C)(C)C ZINC001479255137 937918187 /nfs/dbraw/zinc/91/81/87/937918187.db2.gz KQOXOFCDNDHABN-CVEARBPZSA-N 1 1 292.467 3.005 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H](CC)C(C)(C)C ZINC001479255137 937918188 /nfs/dbraw/zinc/91/81/88/937918188.db2.gz KQOXOFCDNDHABN-CVEARBPZSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@H]1CC[N@@H+](CC(C)C)[C@@H]1CC ZINC001479640291 937923201 /nfs/dbraw/zinc/92/32/01/937923201.db2.gz GGKTWJGFBJJSKW-HRCADAONSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)CCCC(C)C)[C@H]1C ZINC001479719938 937924818 /nfs/dbraw/zinc/92/48/18/937924818.db2.gz JGYGJQFHUWDOID-CVEARBPZSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CCCC ZINC001479732717 937924845 /nfs/dbraw/zinc/92/48/45/937924845.db2.gz TYRKPAFNDLWJFB-INIZCTEOSA-N 1 1 280.456 3.456 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)CCC)[C@H]1C ZINC001479723440 937925051 /nfs/dbraw/zinc/92/50/51/937925051.db2.gz URAHNDSNHHMYPT-PMPSAXMXSA-N 1 1 280.456 3.358 20 30 CGEDMO CC#CC[N@@H+](C)CCCNC(=O)CCC1CCCCCC1 ZINC001479784807 937926024 /nfs/dbraw/zinc/92/60/24/937926024.db2.gz MQCSQHMOVUQOMX-UHFFFAOYSA-N 1 1 292.467 3.198 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CCC[N@H+](CC/C=C\CC)C1 ZINC001479909088 937928717 /nfs/dbraw/zinc/92/87/17/937928717.db2.gz XBXUWTZFNVZSPY-WRLNGNIRSA-N 1 1 278.440 3.280 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001479963294 937929966 /nfs/dbraw/zinc/92/99/66/937929966.db2.gz YBBUYCKFBADFEQ-AEFFLSMTSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC001479961771 937930119 /nfs/dbraw/zinc/93/01/19/937930119.db2.gz LCRUGTPDPUJXFS-WMZOPIPTSA-N 1 1 298.430 3.221 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)C/C=C(/C)C=C)C1 ZINC001479961682 937930146 /nfs/dbraw/zinc/93/01/46/937930146.db2.gz GXOLAFNIJMFQPU-KCKALFRLSA-N 1 1 276.424 3.054 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC001479962604 937930316 /nfs/dbraw/zinc/93/03/16/937930316.db2.gz UCYMQBZISBSKJY-GDBMZVCRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1CCC[N@H+](C[C@@H](F)CC)C1 ZINC001480260328 937935113 /nfs/dbraw/zinc/93/51/13/937935113.db2.gz VOFIOZVJMLWWHY-CABCVRRESA-N 1 1 298.446 3.165 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)CCCCCC(C)C)C1 ZINC001480266498 937935592 /nfs/dbraw/zinc/93/55/92/937935592.db2.gz TYQDVVVMOPMCNL-QGZVFWFLSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)C(=C)C)C1 ZINC001480383490 937937832 /nfs/dbraw/zinc/93/78/32/937937832.db2.gz QIEJFAOFDHFQBW-HZPDHXFCSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2(CC)CCCC2)C1 ZINC001480385705 937938043 /nfs/dbraw/zinc/93/80/43/937938043.db2.gz GKVDSVOFMQAUCM-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C)C2CCC2)C1 ZINC001480731088 937942765 /nfs/dbraw/zinc/94/27/65/937942765.db2.gz NLQIZEDNWCVLGP-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)c1ccoc1C ZINC001480818545 937944821 /nfs/dbraw/zinc/94/48/21/937944821.db2.gz RSUOWPISFHXGGM-OAHLLOKOSA-N 1 1 290.407 3.139 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](C)C(C)(C)C ZINC001480826986 937945213 /nfs/dbraw/zinc/94/52/13/937945213.db2.gz WCQJPFQKWBMQPE-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)C1(CC=C)CCC1 ZINC001480829882 937945703 /nfs/dbraw/zinc/94/57/03/937945703.db2.gz GMPVXDMYRTZNKK-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCC[N@H+]1CCC1CCCC1 ZINC001493083860 937947644 /nfs/dbraw/zinc/94/76/44/937947644.db2.gz KKMYPWJMJFCCKI-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)C1(C)CCCCC1 ZINC001493133838 937948111 /nfs/dbraw/zinc/94/81/11/937948111.db2.gz UOXUMFSVXYMMAY-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](CNC(=O)C2CC(C)C2)C1 ZINC001493190693 937948782 /nfs/dbraw/zinc/94/87/82/937948782.db2.gz AULSPBBCQMNOII-AQFXKWCLSA-N 1 1 294.483 3.441 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](CNC(=O)C2C(C)(C)C2(C)C)C1 ZINC001493191652 937948792 /nfs/dbraw/zinc/94/87/92/937948792.db2.gz XMJFPHNIZUSNOM-CQSZACIVSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](CNC(=O)CC2CCC(C)(C)CC2)C1 ZINC001493268852 937949011 /nfs/dbraw/zinc/94/90/11/937949011.db2.gz GWGRUSNCBMNJFS-MRXNPFEDSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)c2ccccc2)C1 ZINC001493938861 937952168 /nfs/dbraw/zinc/95/21/68/937952168.db2.gz MRURFHWJKPOXOC-KRWDZBQOSA-N 1 1 286.419 3.189 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)C2CC(C)(C)C2)C1 ZINC001493946163 937952260 /nfs/dbraw/zinc/95/22/60/937952260.db2.gz DXDIIZJLIVHKTJ-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@]2(C)C=CCC2)C1 ZINC001494152451 937953775 /nfs/dbraw/zinc/95/37/75/937953775.db2.gz CAXZMFAYOZDKFC-AEFFLSMTSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)CCC ZINC001494647734 937955358 /nfs/dbraw/zinc/95/53/58/937955358.db2.gz DHKSBCQTQJRLDX-JYJNAYRXSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C=C)cc1 ZINC001494673092 937955765 /nfs/dbraw/zinc/95/57/65/937955765.db2.gz PHSBLABAHGMZSF-ROUUACIJSA-N 1 1 296.414 3.195 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC001494755941 937955995 /nfs/dbraw/zinc/95/59/95/937955995.db2.gz CZYGUECOMIUNOC-JKSUJKDBSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001494786368 937956215 /nfs/dbraw/zinc/95/62/15/937956215.db2.gz HVKXBDGOKDLCPB-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CCCCCC(=O)N(C)[C@H]1CC[N@H+](CC/C=C/CC)C1 ZINC001494821401 937956617 /nfs/dbraw/zinc/95/66/17/937956617.db2.gz IBAHCWGCZVRRDY-LKUPDRCFSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)C2(C)CC2)C1 ZINC001494828668 937956744 /nfs/dbraw/zinc/95/67/44/937956744.db2.gz SUGBOAAKVXEPAZ-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC(=O)N(C)CC[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC001496673122 937963529 /nfs/dbraw/zinc/96/35/29/937963529.db2.gz XVIUPJZONWZAHT-AWEZNQCLSA-N 1 1 292.398 3.243 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)C(C)(C)C1CCCC1 ZINC001496718326 937963572 /nfs/dbraw/zinc/96/35/72/937963572.db2.gz LLFCDGVGYFVPCP-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC(=O)N(C)CC[N@H+](C)Cc1cccc(CC)c1 ZINC001496671727 937963801 /nfs/dbraw/zinc/96/38/01/937963801.db2.gz KFQZQXDMUUXKJJ-UHFFFAOYSA-N 1 1 288.435 3.105 20 30 CGEDMO CC#CC[N@@H+](C)CCN(C)C(=O)C[C@@H]1CCCCC1(C)C ZINC001496847254 937964110 /nfs/dbraw/zinc/96/41/10/937964110.db2.gz OZQNESFZZPUTFW-INIZCTEOSA-N 1 1 292.467 3.006 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C3CC3)CC[C@@H]21 ZINC001496848957 937964451 /nfs/dbraw/zinc/96/44/51/937964451.db2.gz AFMXCMOUESYSLT-SJORKVTESA-N 1 1 292.467 3.290 20 30 CGEDMO C=CCCCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCCCC)C1 ZINC001496859939 937964610 /nfs/dbraw/zinc/96/46/10/937964610.db2.gz ANLUIWJGPQJCQD-DLBZAZTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H](C)C[N@@H+](C)CC1CC(C)(C)C1 ZINC001498356052 937969162 /nfs/dbraw/zinc/96/91/62/937969162.db2.gz LRFAFBJYFWJXEW-CQSZACIVSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CC[N@@H+]1[C@H](C)c1ccccc1C ZINC001498944691 937971492 /nfs/dbraw/zinc/97/14/92/937971492.db2.gz QBUSPMDOHSVTGI-CVEARBPZSA-N 1 1 286.419 3.213 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CCCC1 ZINC001499496883 937973603 /nfs/dbraw/zinc/97/36/03/937973603.db2.gz CAUNYVJFWMBQMR-SJORKVTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@](C)(NC(=O)CSC(C)C)C1 ZINC001500182710 937975966 /nfs/dbraw/zinc/97/59/66/937975966.db2.gz LUZBSOANWUTFDW-HOCLYGCPSA-N 1 1 298.496 3.063 20 30 CGEDMO C=CC1(CC(=O)N[C@]2(C)CC[N@H+](CC)C2)CCCCC1 ZINC001500269439 937976723 /nfs/dbraw/zinc/97/67/23/937976723.db2.gz RIRWUQGAKJTTIF-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO CCCCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](F)CC)C[C@H]2C1 ZINC001501226503 937979273 /nfs/dbraw/zinc/97/92/73/937979273.db2.gz OZBMCAOFNBPICR-OWCLPIDISA-N 1 1 298.446 3.095 20 30 CGEDMO C=CC[N@H+](C)CCCN(C)C(=O)C1(C)CCC(C)CC1 ZINC001502401194 937982384 /nfs/dbraw/zinc/98/23/84/937982384.db2.gz INIHXTQZRYYTAE-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)CCCC2CC2)C(C)(C)C1 ZINC001502832059 937983311 /nfs/dbraw/zinc/98/33/11/937983311.db2.gz JYMXZZTZEUDCKJ-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)CCCC)C(C)(C)C1 ZINC001502818153 937983491 /nfs/dbraw/zinc/98/34/91/937983491.db2.gz REVPXFPFYJBDKZ-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[N@H+](CCC(=C)C)CC1(C)C ZINC001502820737 937983512 /nfs/dbraw/zinc/98/35/12/937983512.db2.gz MSHFHEWKRSXBQM-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)CCC)C(C)(C)C1 ZINC001502820182 937983524 /nfs/dbraw/zinc/98/35/24/937983524.db2.gz IDKWRQMTWBEEHO-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCCCC)C[C@@H]1C ZINC001502903899 937983796 /nfs/dbraw/zinc/98/37/96/937983796.db2.gz VSJLQSXRDKQLKP-GJZGRUSLSA-N 1 1 266.429 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C(C)(CC)CC)C[C@H]1C ZINC001503013390 937983926 /nfs/dbraw/zinc/98/39/26/937983926.db2.gz FLBROQSDPOVAPB-HUUCEWRRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)C1CCCCC1 ZINC001505418198 937985075 /nfs/dbraw/zinc/98/50/75/937985075.db2.gz TXXZDJKPHQJNPE-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]1C[N@H+](C)CC/C=C/CC ZINC001505424936 937985297 /nfs/dbraw/zinc/98/52/97/937985297.db2.gz XMMIYYPASCUYHB-IQIBNGDESA-N 1 1 278.440 3.232 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)C1(C)CC(=C)C1 ZINC001505444743 937985379 /nfs/dbraw/zinc/98/53/79/937985379.db2.gz HEHFODFZDLCADJ-INIZCTEOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@]1(C)CC=CCC1 ZINC001505925432 937987914 /nfs/dbraw/zinc/98/79/14/937987914.db2.gz WMGZBPGTRIAGIO-NVXWUHKLSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)c1ccoc1C1CC1 ZINC001505989315 937988454 /nfs/dbraw/zinc/98/84/54/937988454.db2.gz SHWYMYMEPWLMJM-ZDUSSCGKSA-N 1 1 290.407 3.173 20 30 CGEDMO C#CCC[N@H+](C)[C@@H](C)CNC(=O)C1(CC(C)C)CCCC1 ZINC001506021169 937988595 /nfs/dbraw/zinc/98/85/95/937988595.db2.gz CGCRUSPPRWFHJK-INIZCTEOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@H](CC)CC(C)C ZINC001506034879 937988881 /nfs/dbraw/zinc/98/88/81/937988881.db2.gz YGVLZWLAKJRKAQ-LSDHHAIUSA-N 1 1 268.445 3.071 20 30 CGEDMO CC(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)C#CC(C)(C)C ZINC001506563702 937990686 /nfs/dbraw/zinc/99/06/86/937990686.db2.gz MXCSBFLSNGNRFL-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1C[N@H+](C[C@H](C)CC)CC1(C)C ZINC001506750495 937991973 /nfs/dbraw/zinc/99/19/73/937991973.db2.gz ZIUVWPQWMUHDFV-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C/C(C)=C/CC(=O)N1CCC([N@@H+](C)CC(=C)C)CC1 ZINC001506963726 937993134 /nfs/dbraw/zinc/99/31/34/937993134.db2.gz HLYVUNHWTJMPNE-VIZOYTHASA-N 1 1 276.424 3.008 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)[C@@H]1CCC[C@H](F)C1)C(C)C ZINC001507788319 937996949 /nfs/dbraw/zinc/99/69/49/937996949.db2.gz SJWZSRIJESDTQY-CVEARBPZSA-N 1 1 298.446 3.260 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)CC(C)=C(C)C)CC1 ZINC001508216427 937998736 /nfs/dbraw/zinc/99/87/36/937998736.db2.gz YKNHZZFJVINQNQ-UHFFFAOYSA-N 1 1 290.451 3.447 20 30 CGEDMO Cc1ccc(N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nc1C#N ZINC001548515398 938151525 /nfs/dbraw/zinc/15/15/25/938151525.db2.gz XJWRORNSIIXNLP-CABCVRRESA-N 1 1 298.434 3.327 20 30 CGEDMO CCCCCCCCCC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC001558425415 938215371 /nfs/dbraw/zinc/21/53/71/938215371.db2.gz DYWNQTJCDPFHIM-LSDHHAIUSA-N 1 1 268.445 3.336 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](CC2([C@H]3CCCCO3)CCC2)C1 ZINC001559671352 938232721 /nfs/dbraw/zinc/23/27/21/938232721.db2.gz MSYBUEMIIODLOL-HZPDHXFCSA-N 1 1 276.424 3.351 20 30 CGEDMO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1cc(C#N)ccn1 ZINC001559895911 938238098 /nfs/dbraw/zinc/23/80/98/938238098.db2.gz VVVCYSNOEGYRSX-CYBMUJFWSA-N 1 1 281.359 3.121 20 30 CGEDMO N#Cc1cncc(C[N@@H+]2C[C@H]3[C@H](C[C@@H]3c3ccccc3)C2)c1 ZINC001560065340 938243214 /nfs/dbraw/zinc/24/32/14/938243214.db2.gz KFELVFRSDACXAH-QRVBRYPASA-N 1 1 289.382 3.189 20 30 CGEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)C(C)(C)C ZINC001560128772 938244537 /nfs/dbraw/zinc/24/45/37/938244537.db2.gz KOOVMRUCWVOSBE-VBQJREDUSA-N 1 1 295.471 3.043 20 30 CGEDMO C[C@@H]([NH2+]CC(=O)c1ccccc1F)c1cccc(C#N)c1 ZINC001560135595 938244766 /nfs/dbraw/zinc/24/47/66/938244766.db2.gz UWBYWDJCSHOQSX-GFCCVEGCSA-N 1 1 282.318 3.231 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H]1C(=O)NC(C)(C)C ZINC001560162420 938245394 /nfs/dbraw/zinc/24/53/94/938245394.db2.gz RIVCUSLGAKFOCW-AWEZNQCLSA-N 1 1 266.429 3.112 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1[C@H](C)C(=O)OCCCC ZINC001560199694 938246815 /nfs/dbraw/zinc/24/68/15/938246815.db2.gz BAYNNCGFXFIHLH-KGLIPLIRSA-N 1 1 253.386 3.149 20 30 CGEDMO C=CCCC[N@H+](CC)CCC(=O)N(C)c1ccccc1 ZINC001560204595 938246931 /nfs/dbraw/zinc/24/69/31/938246931.db2.gz RRBVOGJWVWYVQU-UHFFFAOYSA-N 1 1 274.408 3.328 20 30 CGEDMO C#C[C@@H]1CCCC[N@@H+]1Cc1cc(=O)oc2cc(CC)ccc12 ZINC001560209363 938247361 /nfs/dbraw/zinc/24/73/61/938247361.db2.gz NZFUUBUWZMEWRK-MRXNPFEDSA-N 1 1 295.382 3.343 20 30 CGEDMO C#Cc1ccc(CNC[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC001560285636 938250861 /nfs/dbraw/zinc/25/08/61/938250861.db2.gz BQVSUDODFGNHLZ-APWZRJJASA-N 1 1 284.447 3.268 20 30 CGEDMO C#CC[C@H]([NH2+]Cc1ccnc(OC)c1F)c1ccccc1 ZINC001560402856 938256985 /nfs/dbraw/zinc/25/69/85/938256985.db2.gz JCPCPFNTNRHBLX-HNNXBMFYSA-N 1 1 284.334 3.084 20 30 CGEDMO COCc1c(C)cc(C)c(C[NH2+][C@H](C)CC#N)c1C ZINC001560574424 938263708 /nfs/dbraw/zinc/26/37/08/938263708.db2.gz BZOJUHODSJRZTG-CYBMUJFWSA-N 1 1 260.381 3.150 20 30 CGEDMO C#Cc1ccc(C[N@@H+](C)CCOc2ccc(C)cc2)cc1 ZINC001560721422 938272259 /nfs/dbraw/zinc/27/22/59/938272259.db2.gz KHIMTTAJYBVEJY-UHFFFAOYSA-N 1 1 279.383 3.487 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1c(C)cc(C)c(COC)c1C ZINC001560793472 938275870 /nfs/dbraw/zinc/27/58/70/938275870.db2.gz PZBLYOOABPKWMM-CQSZACIVSA-N 1 1 259.393 3.212 20 30 CGEDMO C=CCCCCC[N@H+]1CCCC2(CN(C(=O)C3CC3)C2)C1 ZINC001485658444 957827783 /nfs/dbraw/zinc/82/77/83/957827783.db2.gz VHYZXTDOWJCVBN-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)ccc1Cl ZINC001238192904 960411935 /nfs/dbraw/zinc/41/19/35/960411935.db2.gz WFNHXIUNOAQDLF-CYBMUJFWSA-N 1 1 282.721 3.443 20 30 CGEDMO C#CC[N@H+](C)[C@H](C)CNC(=O)[C@@H](CC)CC1CCCCC1 ZINC001570740675 960463053 /nfs/dbraw/zinc/46/30/53/960463053.db2.gz UHGFQTHDNGLAQR-WBVHZDCISA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C(=O)/C(C)=C/C)C(C)C ZINC001571611210 960470858 /nfs/dbraw/zinc/47/08/58/960470858.db2.gz PWIPMJJZVFHCRM-OVCLIPMQSA-N 1 1 266.429 3.088 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(CC)CC ZINC001565834307 960829655 /nfs/dbraw/zinc/82/96/55/960829655.db2.gz YLDPEFQJDZJZJR-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C[C@H](CC)CC(=O)N(C)C[C@H]1CC[N@H+]1CC1CCCC1 ZINC001565825456 960833545 /nfs/dbraw/zinc/83/35/45/960833545.db2.gz VEWUKQSWLNOCRI-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)/C(C)=C\C)C1 ZINC001565880885 960853673 /nfs/dbraw/zinc/85/36/73/960853673.db2.gz GUHQDJGCJHPQMM-VLSXRJLXSA-N 1 1 298.430 3.113 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C=C(CC)CC)C[C@@H]2C1 ZINC001566042535 960868707 /nfs/dbraw/zinc/86/87/07/960868707.db2.gz TUWBGXKBJJXABP-SJORKVTESA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCC(C)C)C[C@@H]2C1 ZINC001566037928 960870966 /nfs/dbraw/zinc/87/09/66/960870966.db2.gz CWGXJEMBIGHLIF-SJORKVTESA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](CCC2CC2)[C@@H]1CC ZINC001566014131 960873667 /nfs/dbraw/zinc/87/36/67/960873667.db2.gz YTKLORSVBLJUSR-JKSUJKDBSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2CC)[C@H]1C ZINC001566103782 960884102 /nfs/dbraw/zinc/88/41/02/960884102.db2.gz YKWPIOHDBXDFRY-VQHPVUNQSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCNC(=O)[C@@H]1CCC[C@@H]1CC ZINC001566488461 960939370 /nfs/dbraw/zinc/93/93/70/960939370.db2.gz RRGIAZFYTVGWTM-UONOGXRCSA-N 1 1 286.847 3.003 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@@H]1CC ZINC001566488461 960939384 /nfs/dbraw/zinc/93/93/84/960939384.db2.gz RRGIAZFYTVGWTM-UONOGXRCSA-N 1 1 286.847 3.003 20 30 CGEDMO C=CCC[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001566456440 960939412 /nfs/dbraw/zinc/93/94/12/960939412.db2.gz GCQJWULPHBQXGD-LSDHHAIUSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@H+]([C@H](C)c2cccc(F)c2)C1 ZINC001566658344 960973257 /nfs/dbraw/zinc/97/32/57/960973257.db2.gz UVXFYQDFGSWPIF-CJNGLKHVSA-N 1 1 290.382 3.043 20 30 CGEDMO C#CCCCCC(=O)N[C@H]1CC[N@H+](C[C@H](C)CC(C)C)C1 ZINC001566659418 960979681 /nfs/dbraw/zinc/97/96/81/960979681.db2.gz ABNFYNXNXCXTKB-SJORKVTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H](C[N@H+](C)C[C@@H](C)CC)C1 ZINC001566736407 960998354 /nfs/dbraw/zinc/99/83/54/960998354.db2.gz PUYDSBSGJYGDKG-HOTGVXAUSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CCC ZINC001566750750 961005497 /nfs/dbraw/zinc/00/54/97/961005497.db2.gz QNIPZSHUVKXWPU-LUKYLMHMSA-N 1 1 292.467 3.453 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCCC)C1 ZINC001566824334 961022142 /nfs/dbraw/zinc/02/21/42/961022142.db2.gz HPHGETRBZLQCMZ-SJORKVTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C/Cl ZINC001566819833 961026616 /nfs/dbraw/zinc/02/66/16/961026616.db2.gz UELMKRYWCCWRQQ-GBVAZSLVSA-N 1 1 296.842 3.207 20 30 CGEDMO C#CCCCC(=O)NC[C@@H]1CCC[N@H+](CCCC(C)C)C1 ZINC001566869836 961034205 /nfs/dbraw/zinc/03/42/05/961034205.db2.gz XTQMARKIIVTLNP-KRWDZBQOSA-N 1 1 292.467 3.054 20 30 CGEDMO C#CCCCCC(=O)NC[C@H]1CCC[N@H+](C[C@@H](C)CC)C1 ZINC001566868379 961040389 /nfs/dbraw/zinc/04/03/89/961040389.db2.gz JJDKHMHCJCPQIP-DLBZAZTESA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001566959265 961077269 /nfs/dbraw/zinc/07/72/69/961077269.db2.gz AGLVHZAYSBUBQR-DOTOQJQBSA-N 1 1 292.467 3.380 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CCCCC)C1 ZINC001566958496 961078844 /nfs/dbraw/zinc/07/88/44/961078844.db2.gz QBMIHSGTWXDYJL-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@H]([N@H+](C)CC/C=C/CC)C1 ZINC001567196547 961138474 /nfs/dbraw/zinc/13/84/74/961138474.db2.gz MXOQEHGIIZGKNK-FDMDGMSGSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)CCCC2CC2)C1 ZINC001567196696 961143915 /nfs/dbraw/zinc/14/39/15/961143915.db2.gz PBKGFNSVAVYIDM-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)CC1CCCC1 ZINC001567244132 961153538 /nfs/dbraw/zinc/15/35/38/961153538.db2.gz UAFJYFRDSWHOEE-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@H]1CNC(=O)C1CCC1 ZINC001567356897 961288860 /nfs/dbraw/zinc/28/88/60/961288860.db2.gz JPHHGLWTFQBGNQ-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CCC(=O)NCC[N@H+](CC)CC1CCCCC1 ZINC001567334210 961291265 /nfs/dbraw/zinc/29/12/65/961291265.db2.gz XRQOGAWPKXVUOK-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC001567376670 961302512 /nfs/dbraw/zinc/30/25/12/961302512.db2.gz LVCMVSRFVBCNDA-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC001567376669 961304460 /nfs/dbraw/zinc/30/44/60/961304460.db2.gz LVCMVSRFVBCNDA-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@H]1CC[N@H+](C[C@H](C)CC)C1 ZINC001567403677 961328405 /nfs/dbraw/zinc/32/84/05/961328405.db2.gz TWAAVEHUMCTBMR-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[N@@H+](CCC)CCNC(=O)[C@H]1CCC[C@H](C)C1 ZINC001567429242 961339206 /nfs/dbraw/zinc/33/92/06/961339206.db2.gz NPKPAAWOZKEXTK-HOTGVXAUSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC(CC=C)C(=O)N(CCC)[C@H]1CC[N@@H+](CC)C1 ZINC001567683382 961397903 /nfs/dbraw/zinc/39/79/03/961397903.db2.gz VRGBVSQLKHHAJE-INIZCTEOSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)CC=C ZINC001567863352 961440276 /nfs/dbraw/zinc/44/02/76/961440276.db2.gz ZZLBLPGJIMQSGQ-JYJNAYRXSA-N 1 1 290.451 3.229 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](CC2CCC(C)CC2)C1 ZINC001567876758 961453149 /nfs/dbraw/zinc/45/31/49/961453149.db2.gz JPCHBEHBSOLKDL-GPANFISMSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001567883088 961453245 /nfs/dbraw/zinc/45/32/45/961453245.db2.gz BACHVJTVGNVUBC-FUHWJXTLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)c2oc(C)cc2C)C1 ZINC001567908452 961454757 /nfs/dbraw/zinc/45/47/57/961454757.db2.gz LPTLOGYRCFXHJI-HNNXBMFYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC001567891909 961456749 /nfs/dbraw/zinc/45/67/49/961456749.db2.gz ZMTAUGQNMZOLGK-AEFFLSMTSA-N 1 1 298.430 3.221 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H](C)C2CCC2)C1 ZINC001567939801 961464012 /nfs/dbraw/zinc/46/40/12/961464012.db2.gz XCLYYOCLTNHJIA-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)CCC1CCN(C(=O)[C@H](C)CC)CC1 ZINC001568436061 961578507 /nfs/dbraw/zinc/57/85/07/961578507.db2.gz ZXIDAECUNNGYIU-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)[C@H](C)C(CC)CC ZINC001568551376 961617400 /nfs/dbraw/zinc/61/74/00/961617400.db2.gz AWOVWSBSLOWTIE-CQSZACIVSA-N 1 1 268.445 3.025 20 30 CGEDMO C=CC[N@H+](C)C[C@@H](C)NC(=O)c1cc2cscc2s1 ZINC001569127736 961700484 /nfs/dbraw/zinc/70/04/84/961700484.db2.gz HSRVTLSUCZXGBD-SNVBAGLBSA-N 1 1 294.445 3.199 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)c1ccsc1C ZINC001569356201 961743739 /nfs/dbraw/zinc/74/37/39/961743739.db2.gz SGRIQNMGMPGPIL-TZMCWYRMSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)c1ccc(C)cc1 ZINC001569381178 961748380 /nfs/dbraw/zinc/74/83/80/961748380.db2.gz JZCWKJMKJFHUFQ-WBVHZDCISA-N 1 1 286.419 3.154 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@H]1CC[N@@H+]1CC(CC)CC ZINC001569374966 961756648 /nfs/dbraw/zinc/75/66/48/961756648.db2.gz PFFBVSAVVMEBSX-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC(C)(C)C(=O)N(C)C1C[NH+]([C@H]2CCc3ccccc32)C1 ZINC001569495377 961779674 /nfs/dbraw/zinc/77/96/74/961779674.db2.gz ACEAPHUPHSUEFW-KRWDZBQOSA-N 1 1 298.430 3.029 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001569641673 961809246 /nfs/dbraw/zinc/80/92/46/961809246.db2.gz RROUCNLOOYIDLL-GDBMZVCRSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001569641673 961809260 /nfs/dbraw/zinc/80/92/60/961809260.db2.gz RROUCNLOOYIDLL-GDBMZVCRSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)C[C@@H](C)CC(C)C)C1 ZINC001569651295 961813939 /nfs/dbraw/zinc/81/39/39/961813939.db2.gz OPZRDQZRYJJWGR-DOTOQJQBSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)CC2CCC(C)(C)CC2)C1 ZINC001569657287 961822978 /nfs/dbraw/zinc/82/29/78/961822978.db2.gz WMJIUBGYLJEEDS-GOSISDBHSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCC1(C)CC1 ZINC001569915048 961875043 /nfs/dbraw/zinc/87/50/43/961875043.db2.gz MXEDTSKBFOBAQJ-HZPDHXFCSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CCC[N@H+](CC[C@H](C)F)CC1 ZINC001570177386 961917594 /nfs/dbraw/zinc/91/75/94/961917594.db2.gz LAYFDZYAQFEJHQ-GJZGRUSLSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C2(C)CC=CC2)CC1 ZINC001570183732 961927323 /nfs/dbraw/zinc/92/73/23/961927323.db2.gz QDYLLFOVHHJYBB-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCCF)C2 ZINC001570274349 961946330 /nfs/dbraw/zinc/94/63/30/961946330.db2.gz ALSSAGZMAKLWFX-KRWDZBQOSA-N 1 1 296.430 3.017 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)C(CC)CC)C[C@H]1C ZINC001570429119 961962614 /nfs/dbraw/zinc/96/26/14/961962614.db2.gz OOBIAUPXBWJXDX-GDBMZVCRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C(C)=C2CCC2)C[C@@H]1C ZINC001570433954 961967439 /nfs/dbraw/zinc/96/74/39/961967439.db2.gz DGGDBOXSHTZZSK-YOEHRIQHSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C)C1CCCC1 ZINC001570544066 961983323 /nfs/dbraw/zinc/98/33/23/961983323.db2.gz QKRUSHHPHIUJCL-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)C1CCC1 ZINC001570521704 961989376 /nfs/dbraw/zinc/98/93/76/961989376.db2.gz CBTHNUKGOPTYEB-HOCLYGCPSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)CC1(C)CCCCC1 ZINC001570721751 962052311 /nfs/dbraw/zinc/05/23/11/962052311.db2.gz FBLPBBBMMNAUQG-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)c1ccc(Cl)cc1 ZINC001570734073 962065922 /nfs/dbraw/zinc/06/59/22/962065922.db2.gz MGKHCTMWJSSTOC-OLZOCXBDSA-N 1 1 294.826 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)c1cc(Cl)ccc1C ZINC001570744465 962068701 /nfs/dbraw/zinc/06/87/01/962068701.db2.gz SALHYPVMGYVYGM-CYBMUJFWSA-N 1 1 294.826 3.275 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)c1ccc(CF)cc1 ZINC001570753712 962079947 /nfs/dbraw/zinc/07/99/47/962079947.db2.gz ODCSQFALNPXSBQ-CQSZACIVSA-N 1 1 292.398 3.172 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1C[N@H+](CCCC)CC1(C)C ZINC001570904192 962105255 /nfs/dbraw/zinc/10/52/55/962105255.db2.gz CKDSECOYRXTRQN-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2C[N@H+](CC(=C)C)CC2(C)C)CCC1 ZINC001570905220 962111273 /nfs/dbraw/zinc/11/12/73/962111273.db2.gz PMLKFITZEQTCHK-OAHLLOKOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC2(CN(C(=O)CCCC(C)C)C2)C1 ZINC001571043404 962116952 /nfs/dbraw/zinc/11/69/52/962116952.db2.gz CHJHONSCKWGZKQ-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+](C)C1CCN(C(=O)C2CC3(CC3)C2)CC1 ZINC001571334099 962133017 /nfs/dbraw/zinc/13/30/17/962133017.db2.gz LTNJARDOWIUJOY-UHFFFAOYSA-N 1 1 290.451 3.066 20 30 CGEDMO C#CCCCC(=O)N1CCC([N@H+](C)CC/C=C\CC)CC1 ZINC001571330857 962135565 /nfs/dbraw/zinc/13/55/65/962135565.db2.gz ZDDQEVJOPXERDW-VURMDHGXSA-N 1 1 290.451 3.069 20 30 CGEDMO CC#CCCCC(=O)N[C@H]1CCC[N@H+](CCCCC)[C@H]1C ZINC001571521978 962166186 /nfs/dbraw/zinc/16/61/86/962166186.db2.gz ZIBBQLKTHLEXMM-IRXDYDNUSA-N 1 1 292.467 3.339 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)CCC(=C)C)CCC[C@@H]12 ZINC001571500191 962171779 /nfs/dbraw/zinc/17/17/79/962171779.db2.gz ATFJQWRVOIORLS-NVXWUHKLSA-N 1 1 276.424 3.032 20 30 CGEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)CC1=CCCOC1 ZINC000350664195 219045313 /nfs/dbraw/zinc/04/53/13/219045313.db2.gz WXZHLKQJAHKOPX-UHFFFAOYSA-N 1 1 284.403 3.363 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CCc2ccc(O)cc2CC1 ZINC000589985038 346820068 /nfs/dbraw/zinc/82/00/68/346820068.db2.gz NAYWAYLRTHYBQR-UHFFFAOYSA-N 1 1 296.345 3.004 20 30 CGEDMO N#Cc1c(F)cccc1C[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000589985038 346820070 /nfs/dbraw/zinc/82/00/70/346820070.db2.gz NAYWAYLRTHYBQR-UHFFFAOYSA-N 1 1 296.345 3.004 20 30 CGEDMO C=CC[C@H]1CC[C@@H]([NH2+]C2CCN(C(C)C)CC2)C1 ZINC000651670595 398265849 /nfs/dbraw/zinc/26/58/49/398265849.db2.gz OAPHQDIINXMJBO-GOEBONIOSA-N 1 1 250.430 3.194 20 30 CGEDMO C[C@H](C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1)C(C)(C)C ZINC000590051983 346824038 /nfs/dbraw/zinc/82/40/38/346824038.db2.gz MYIMRDGUXGVFJS-HIFRSBDPSA-N 1 1 287.407 3.089 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccncc1F ZINC000337949991 214328043 /nfs/dbraw/zinc/32/80/43/214328043.db2.gz JXUMGFXDIOUFPD-VIFPVBQESA-N 1 1 261.325 3.005 20 30 CGEDMO N#Cc1ccc(OCC[N@H+]2CCC[C@@H]2c2ccncc2)cc1 ZINC000125560091 187190969 /nfs/dbraw/zinc/19/09/69/187190969.db2.gz QVHVCLGJFBVFGY-GOSISDBHSA-N 1 1 293.370 3.169 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)c1 ZINC000652062303 398322356 /nfs/dbraw/zinc/32/23/56/398322356.db2.gz FLTLEVPYVNNUQN-HNNXBMFYSA-N 1 1 279.330 3.483 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](CC2CCC(F)(F)CC2)C1 ZINC000590956073 346890274 /nfs/dbraw/zinc/89/02/74/346890274.db2.gz NAEFLABZRMYIPF-ZDUSSCGKSA-N 1 1 256.340 3.438 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000591063293 346898235 /nfs/dbraw/zinc/89/82/35/346898235.db2.gz OERXWGDURUFSMQ-OAHLLOKOSA-N 1 1 270.376 3.189 20 30 CGEDMO C[C@@H](CC#N)[NH2+]Cc1cc(Cl)cc(Br)c1 ZINC000591258865 346912008 /nfs/dbraw/zinc/91/20/08/346912008.db2.gz ARGWXKVIKNIMFH-QMMMGPOBSA-N 1 1 287.588 3.494 20 30 CGEDMO Cc1cc(Br)cc(C)c1C[NH2+]CCC#N ZINC000591728837 346934689 /nfs/dbraw/zinc/93/46/89/346934689.db2.gz VPGCJKOCEPMHQC-UHFFFAOYSA-N 1 1 267.170 3.069 20 30 CGEDMO CCCNc1ccc(C[NH2+]C[C@@H](C#N)CCC#N)cc1 ZINC000591771825 346935182 /nfs/dbraw/zinc/93/51/82/346935182.db2.gz UINNTSCTZZIUPO-OAHLLOKOSA-N 1 1 270.380 3.042 20 30 CGEDMO CCc1nc(N(C)[C@H](C)c2cccc(C#N)c2)cc(C)[nH+]1 ZINC000425288285 529730073 /nfs/dbraw/zinc/73/00/73/529730073.db2.gz XAXYJQAIMOWRFI-CYBMUJFWSA-N 1 1 280.375 3.417 20 30 CGEDMO Cc1ccccc1[C@@H](C)[NH2+]Cc1ccncc1C#N ZINC000592094136 346962383 /nfs/dbraw/zinc/96/23/83/346962383.db2.gz BAGZVMXSSFXHPP-CYBMUJFWSA-N 1 1 251.333 3.113 20 30 CGEDMO CC1(C)c2ccccc2CC[N@H+]1Cc1ccncc1C#N ZINC000592095090 346962657 /nfs/dbraw/zinc/96/26/57/346962657.db2.gz FPKNDGSZEBFLDI-UHFFFAOYSA-N 1 1 277.371 3.247 20 30 CGEDMO CC1(C)c2ccccc2CC[N@@H+]1Cc1ccncc1C#N ZINC000592095090 346962658 /nfs/dbraw/zinc/96/26/58/346962658.db2.gz FPKNDGSZEBFLDI-UHFFFAOYSA-N 1 1 277.371 3.247 20 30 CGEDMO C[N@@H+](Cc1ccncc1C#N)C1CCC(C)(C)CC1 ZINC000592071714 346960269 /nfs/dbraw/zinc/96/02/69/346960269.db2.gz NMRCNJOOUPFZJG-UHFFFAOYSA-N 1 1 257.381 3.354 20 30 CGEDMO N#CC[C@]1(O)CC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000592149629 346967004 /nfs/dbraw/zinc/96/70/04/346967004.db2.gz SLULCDILMZDGKF-IBGZPJMESA-N 1 1 290.366 3.107 20 30 CGEDMO C[N@@H+](CCC(C)(C)C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000592145011 346967007 /nfs/dbraw/zinc/96/70/07/346967007.db2.gz LTKZVDASHZHMNQ-MRXNPFEDSA-N 1 1 299.418 3.032 20 30 CGEDMO CC(C)(C)C1CCC(C[N@H+]2CC[C@](O)(CC#N)C2)CC1 ZINC000592152052 346967797 /nfs/dbraw/zinc/96/77/97/346967797.db2.gz SWEVHPMCVICFAK-VMBOVVBDSA-N 1 1 278.440 3.189 20 30 CGEDMO N#CCCCC[N@@H+](Cc1ccccc1)[C@H](CO)C1CCC1 ZINC000592139313 346965836 /nfs/dbraw/zinc/96/58/36/346965836.db2.gz VBGIGBLHJDVITG-GOSISDBHSA-N 1 1 286.419 3.343 20 30 CGEDMO CC(C)[C@@H]1[N@@H+](C[C@H](C#N)CCC#N)CC12CC=CC2 ZINC000592446645 346986981 /nfs/dbraw/zinc/98/69/81/346986981.db2.gz KZMUZKUXPAMQEI-GJZGRUSLSA-N 1 1 257.381 3.107 20 30 CGEDMO CC(C)=CCC[C@H](C)CC[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592521812 346995460 /nfs/dbraw/zinc/99/54/60/346995460.db2.gz CHESCNQSPZSSPB-HOTGVXAUSA-N 1 1 264.413 3.109 20 30 CGEDMO C[C@@]1(c2cccc(F)c2)CC[N@H+](Cc2ccncc2C#N)C1 ZINC000593041270 347031159 /nfs/dbraw/zinc/03/11/59/347031159.db2.gz PHOVZIPWUUSTSW-GOSISDBHSA-N 1 1 295.361 3.256 20 30 CGEDMO C[C@@]1(c2cccc(F)c2)CC[N@@H+](Cc2ccncc2C#N)C1 ZINC000593041270 347031163 /nfs/dbraw/zinc/03/11/63/347031163.db2.gz PHOVZIPWUUSTSW-GOSISDBHSA-N 1 1 295.361 3.256 20 30 CGEDMO N#CCCOCC[N@@H+]1CCCC[C@@H]1Cc1ccccc1F ZINC000593085001 347037358 /nfs/dbraw/zinc/03/73/58/347037358.db2.gz VQLGBRSHLOEJBO-MRXNPFEDSA-N 1 1 290.382 3.153 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)cs1)C1Cc2ccccc2C1 ZINC000352682223 529976120 /nfs/dbraw/zinc/97/61/20/529976120.db2.gz OJUNGYLGSNCYCK-UHFFFAOYSA-N 1 1 268.385 3.219 20 30 CGEDMO CC(C)C[N@@H+](C)CCCN[C@H](C)c1ccc(C#N)cc1 ZINC000593181843 347048630 /nfs/dbraw/zinc/04/86/30/347048630.db2.gz KPINJHMRWCVNGZ-OAHLLOKOSA-N 1 1 273.424 3.187 20 30 CGEDMO COc1ccc(C[N@@H+](C)CCCC(C)(C)C#N)cc1 ZINC000087608530 260215674 /nfs/dbraw/zinc/21/56/74/260215674.db2.gz YTYMPAMZGCBOFX-UHFFFAOYSA-N 1 1 260.381 3.457 20 30 CGEDMO CCCC[N@@H+](CC)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000027272595 344909423 /nfs/dbraw/zinc/90/94/23/344909423.db2.gz AMEQFSMJTCXQQI-UHFFFAOYSA-N 1 1 293.798 3.272 20 30 CGEDMO CC(C)[N@@H+](CCOc1cccc(C#N)c1)CC1CC1 ZINC000042253550 344981136 /nfs/dbraw/zinc/98/11/36/344981136.db2.gz SBBNDMRKFCJCOL-UHFFFAOYSA-N 1 1 258.365 3.057 20 30 CGEDMO CC(C)[N@@H+](CCC(=O)Nc1cccc(C#N)c1)CC1CC1 ZINC000042582867 344985137 /nfs/dbraw/zinc/98/51/37/344985137.db2.gz VNMCFIYBZHHLSA-UHFFFAOYSA-N 1 1 285.391 3.007 20 30 CGEDMO C=CCNC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000042925335 344990419 /nfs/dbraw/zinc/99/04/19/344990419.db2.gz PBGXDMDIAGFEAZ-UHFFFAOYSA-N 1 1 298.390 3.362 20 30 CGEDMO C[N@@H+](CCCC#N)Cc1ccccc1C(F)(F)F ZINC000043643939 345003510 /nfs/dbraw/zinc/00/35/10/345003510.db2.gz HLPXZKWETDSQGB-UHFFFAOYSA-N 1 1 256.271 3.441 20 30 CGEDMO CC(C)=CC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000046087113 345034561 /nfs/dbraw/zinc/03/45/61/345034561.db2.gz QBVJPWSLAZLEEE-UHFFFAOYSA-N 1 1 269.392 3.037 20 30 CGEDMO C=CC[N@H+](CCCc1cnn(C)c1)Cc1ccccc1 ZINC000054315938 345132455 /nfs/dbraw/zinc/13/24/55/345132455.db2.gz WILVJFYCPZPCOR-UHFFFAOYSA-N 1 1 269.392 3.041 20 30 CGEDMO C[C@H]1CC[C@H]([N@@H+](CCO)Cc2ccc(C#N)cc2Cl)C1 ZINC000351630305 219154435 /nfs/dbraw/zinc/15/44/35/219154435.db2.gz QXEQXPKVVYVFFU-WFASDCNBSA-N 1 1 292.810 3.195 20 30 CGEDMO C=CC[N@@H+](Cc1nc(CC)no1)CC1CCCCC1 ZINC000069859729 345386254 /nfs/dbraw/zinc/38/62/54/345386254.db2.gz UBZDECSJKJGKRD-UHFFFAOYSA-N 1 1 263.385 3.200 20 30 CGEDMO C=CC[N@H+](Cc1nc(CC)no1)CC1CCCCC1 ZINC000069859729 345386255 /nfs/dbraw/zinc/38/62/55/345386255.db2.gz UBZDECSJKJGKRD-UHFFFAOYSA-N 1 1 263.385 3.200 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)Cc2cccnc2)cc1 ZINC000073881941 345453314 /nfs/dbraw/zinc/45/33/14/345453314.db2.gz NOYHXGOYXOKDBN-UHFFFAOYSA-N 1 1 268.360 3.278 20 30 CGEDMO N#Cc1ccc(N2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000073109763 345430770 /nfs/dbraw/zinc/43/07/70/345430770.db2.gz PXOXFAVZUBHQOJ-UHFFFAOYSA-N 1 1 291.398 3.271 20 30 CGEDMO N#CCCCC[N@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000074312336 345465511 /nfs/dbraw/zinc/46/55/11/345465511.db2.gz OWITYLMFVAQIJV-KRWDZBQOSA-N 1 1 272.392 3.052 20 30 CGEDMO CCC[N@@H+](CCCCC#N)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000077321992 345568576 /nfs/dbraw/zinc/56/85/76/345568576.db2.gz IQHVPYBXWZGDFW-ZNMIVQPWSA-N 1 1 264.413 3.206 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCOc2ccccc2C1 ZINC000087608733 345756168 /nfs/dbraw/zinc/75/61/68/345756168.db2.gz WASIPVTUTXURFO-UHFFFAOYSA-N 1 1 258.365 3.211 20 30 CGEDMO N#CCCC[N@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000081535616 345712258 /nfs/dbraw/zinc/71/22/58/345712258.db2.gz MFMGWHZQDWITLZ-KRWDZBQOSA-N 1 1 272.392 3.052 20 30 CGEDMO N#CCC[N@H+](CCN1CCCc2ccccc21)CC1CC1 ZINC000090551544 345789395 /nfs/dbraw/zinc/78/93/95/345789395.db2.gz BILZTWCWQQHWQR-UHFFFAOYSA-N 1 1 283.419 3.065 20 30 CGEDMO N#CCC[N@@H+](CCN1CCCc2ccccc21)CC1CC1 ZINC000090551544 345789403 /nfs/dbraw/zinc/78/94/03/345789403.db2.gz BILZTWCWQQHWQR-UHFFFAOYSA-N 1 1 283.419 3.065 20 30 CGEDMO C=CCOc1ccc(CN2CC[C@H](C[N@H+](C)CC)C2)cc1 ZINC000093769960 345887146 /nfs/dbraw/zinc/88/71/46/345887146.db2.gz HVQBCTWTPXPIRS-QGZVFWFLSA-N 1 1 288.435 3.025 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+](C)CCc1nccs1 ZINC000093843893 345889416 /nfs/dbraw/zinc/88/94/16/345889416.db2.gz CWBRWWFYYBHGAL-UHFFFAOYSA-N 1 1 288.416 3.382 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC1=CCCOC1 ZINC000093872440 345891798 /nfs/dbraw/zinc/89/17/98/345891798.db2.gz UCDWCSCQKYYWLP-QZTJIDSGSA-N 1 1 282.387 3.105 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC1=CCCOC1 ZINC000093872440 345891801 /nfs/dbraw/zinc/89/18/01/345891801.db2.gz UCDWCSCQKYYWLP-QZTJIDSGSA-N 1 1 282.387 3.105 20 30 CGEDMO C[C@H](CCO)[N@@H+](Cc1ccccc1)Cc1ccccc1C#N ZINC000093303663 345874368 /nfs/dbraw/zinc/87/43/68/345874368.db2.gz LUAWYNDFCBAVMX-MRXNPFEDSA-N 1 1 294.398 3.331 20 30 CGEDMO C=C(Cl)C[N@H+](Cc1ccccc1)[C@H](C)CCO ZINC000093304401 345874972 /nfs/dbraw/zinc/87/49/72/345874972.db2.gz LBCUSZDBMMNBTN-CYBMUJFWSA-N 1 1 253.773 3.012 20 30 CGEDMO C=C(Cl)C[N@@H+](Cc1ccccc1)[C@H](C)CCO ZINC000093304401 345874973 /nfs/dbraw/zinc/87/49/73/345874973.db2.gz LBCUSZDBMMNBTN-CYBMUJFWSA-N 1 1 253.773 3.012 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)o1 ZINC000093335597 345875995 /nfs/dbraw/zinc/87/59/95/345875995.db2.gz RITHWPNGPRAANX-ZDUSSCGKSA-N 1 1 270.307 3.280 20 30 CGEDMO C[C@H]1CC[C@H]([N@@H+](CCO)Cc2ccc(Cl)cc2C#N)C1 ZINC000351647761 219161771 /nfs/dbraw/zinc/16/17/71/219161771.db2.gz JPBCEKKMAHSWQZ-LRDDRELGSA-N 1 1 292.810 3.195 20 30 CGEDMO C=CC1CC[NH+]([C@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000111259466 345948577 /nfs/dbraw/zinc/94/85/77/345948577.db2.gz HUQBGSXXMXKZGF-LLVKDONJSA-N 1 1 263.385 3.326 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000111249528 345948685 /nfs/dbraw/zinc/94/86/85/345948685.db2.gz OPAUUKDHEGCOCU-BBRMVZONSA-N 1 1 258.340 3.462 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](CC)Cc2cnn(C)c2)c1 ZINC000119107501 345992553 /nfs/dbraw/zinc/99/25/53/345992553.db2.gz GTGBISMRLPCMJF-UHFFFAOYSA-N 1 1 285.391 3.007 20 30 CGEDMO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(OC(F)F)cc1 ZINC000125807492 346020228 /nfs/dbraw/zinc/02/02/28/346020228.db2.gz PQYFIIFDYJQKDG-NWDGAFQWSA-N 1 1 293.317 3.382 20 30 CGEDMO COc1ccc(C[N@H+]2CCS[C@@H](C(C)C)C2)cc1C#N ZINC000135110335 346086438 /nfs/dbraw/zinc/08/64/38/346086438.db2.gz INWDHYFCWZNVKI-MRXNPFEDSA-N 1 1 290.432 3.140 20 30 CGEDMO COc1cc(C[N@@H+](C)[C@@H](C)C(C)(C)C)ccc1C#N ZINC000234801236 346332256 /nfs/dbraw/zinc/33/22/56/346332256.db2.gz QTKDGFFBDSNVEZ-LBPRGKRZSA-N 1 1 260.381 3.433 20 30 CGEDMO CCCn1nc(C)c(C[NH2+]CC2(C#N)CCCC2)c1C ZINC000593652513 347099226 /nfs/dbraw/zinc/09/92/26/347099226.db2.gz ANSDQTJCTJHNOV-UHFFFAOYSA-N 1 1 274.412 3.084 20 30 CGEDMO CC[N@@H+](CCC#N)CCCOc1ccc(Cl)cc1 ZINC000531382260 346647196 /nfs/dbraw/zinc/64/71/96/346647196.db2.gz LGJQPYSSQJUEIB-UHFFFAOYSA-N 1 1 266.772 3.344 20 30 CGEDMO CC[N@H+](CCC#N)CCCOc1ccc(Cl)cc1 ZINC000531382260 346647201 /nfs/dbraw/zinc/64/72/01/346647201.db2.gz LGJQPYSSQJUEIB-UHFFFAOYSA-N 1 1 266.772 3.344 20 30 CGEDMO C#CC[N@@H+](CC)[C@@H](C)C(=O)Nc1c(CC)cccc1CC ZINC000490778282 346627419 /nfs/dbraw/zinc/62/74/19/346627419.db2.gz CNPNGCILNXQOJT-AWEZNQCLSA-N 1 1 286.419 3.094 20 30 CGEDMO C#CC[N@H+](CC)[C@@H](C)C(=O)Nc1c(CC)cccc1CC ZINC000490778282 346627420 /nfs/dbraw/zinc/62/74/20/346627420.db2.gz CNPNGCILNXQOJT-AWEZNQCLSA-N 1 1 286.419 3.094 20 30 CGEDMO CC[N@@H+](C)C[C@@H]1CCN([C@H](C#N)c2ccc(Cl)cc2)C1 ZINC000585719900 346727331 /nfs/dbraw/zinc/72/73/31/346727331.db2.gz ZRDNZVVURYXTQI-XJKSGUPXSA-N 1 1 291.826 3.178 20 30 CGEDMO CCCC[N@H+]1CCCC[C@H]1CNc1cc(C#N)ccn1 ZINC000587626402 346743227 /nfs/dbraw/zinc/74/32/27/346743227.db2.gz PDIDVTQZGBFMRQ-HNNXBMFYSA-N 1 1 272.396 3.020 20 30 CGEDMO CC[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccccc1F ZINC000594015013 347137457 /nfs/dbraw/zinc/13/74/57/347137457.db2.gz SADASJAZJHLJLB-INIZCTEOSA-N 1 1 269.323 3.333 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)c(F)c1 ZINC000594027390 347139534 /nfs/dbraw/zinc/13/95/34/347139534.db2.gz TZITUYACNNBNFD-MRXNPFEDSA-N 1 1 288.366 3.231 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](OC3CCC3)C2)c(F)c1 ZINC000594027390 347139538 /nfs/dbraw/zinc/13/95/38/347139538.db2.gz TZITUYACNNBNFD-MRXNPFEDSA-N 1 1 288.366 3.231 20 30 CGEDMO N#Cc1ccc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)c(F)c1 ZINC000594600446 347200154 /nfs/dbraw/zinc/20/01/54/347200154.db2.gz LFSXTGIYKUIPSA-JKSUJKDBSA-N 1 1 273.355 3.126 20 30 CGEDMO COc1cccc(OC)c1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000594713665 347212824 /nfs/dbraw/zinc/21/28/24/347212824.db2.gz UYATYPMDUVINTD-ZDUSSCGKSA-N 1 1 296.370 3.426 20 30 CGEDMO C[C@@H](c1cccc(NCC2(CC#N)CC2)c1)[NH+]1CCOCC1 ZINC000594705557 347211529 /nfs/dbraw/zinc/21/15/29/347211529.db2.gz LPYVONIJTSMVJW-HNNXBMFYSA-N 1 1 299.418 3.186 20 30 CGEDMO Cc1ncc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)o1 ZINC000594506940 347181581 /nfs/dbraw/zinc/18/15/81/347181581.db2.gz HOAZYRWPZCQMJE-UHFFFAOYSA-N 1 1 269.348 3.074 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc3nc[nH]c3c2)CCCCC1 ZINC000594981202 347247828 /nfs/dbraw/zinc/24/78/28/347247828.db2.gz KMAPTAMLEBPQLH-UHFFFAOYSA-N 1 1 268.364 3.127 20 30 CGEDMO N#Cc1csc(C[NH2+]CC2(C#N)CCCCC2)c1 ZINC000594981030 347247941 /nfs/dbraw/zinc/24/79/41/347247941.db2.gz FRDAPRPBXSDLKC-UHFFFAOYSA-N 1 1 259.378 3.183 20 30 CGEDMO COc1ccc2c(c1)C[N@H+](CCc1ccc(C#N)cc1)CC2 ZINC000595294899 347288731 /nfs/dbraw/zinc/28/87/31/347288731.db2.gz UFIPSXHISDDOSM-UHFFFAOYSA-N 1 1 292.382 3.168 20 30 CGEDMO CO[C@@H](C[N@@H+](CCC#N)C(C)C)C1CCCCC1 ZINC000595331785 347293035 /nfs/dbraw/zinc/29/30/35/347293035.db2.gz CTWHLJPDDPQOCO-HNNXBMFYSA-N 1 1 252.402 3.206 20 30 CGEDMO CCC(CC)C[N@H+](CCC#N)CCO[C@H]1CC1(F)F ZINC000595346731 347294854 /nfs/dbraw/zinc/29/48/54/347294854.db2.gz LBDXJORFMHLPQM-ZDUSSCGKSA-N 1 1 274.355 3.062 20 30 CGEDMO N#Cc1ccc(CC[N@@H+]2CCO[C@H](c3ccsc3)C2)cc1 ZINC000595344289 347295135 /nfs/dbraw/zinc/29/51/35/347295135.db2.gz LJZDHKWATICILS-KRWDZBQOSA-N 1 1 298.411 3.236 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCO[C@H](c3ccsc3)C2)cc1 ZINC000595344289 347295136 /nfs/dbraw/zinc/29/51/36/347295136.db2.gz LJZDHKWATICILS-KRWDZBQOSA-N 1 1 298.411 3.236 20 30 CGEDMO C[C@@H](c1cccnc1)[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595393095 347298724 /nfs/dbraw/zinc/29/87/24/347298724.db2.gz WHFOKUJFLVJZOU-AWEZNQCLSA-N 1 1 265.360 3.189 20 30 CGEDMO Cc1nc2ccccc2nc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595609039 347325355 /nfs/dbraw/zinc/32/53/55/347325355.db2.gz FKRUCMBHCUBKOX-AWEZNQCLSA-N 1 1 280.375 3.064 20 30 CGEDMO C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595611145 347326175 /nfs/dbraw/zinc/32/61/75/347326175.db2.gz HJQQSOZXOLGGOG-ZIAGYGMSSA-N 1 1 296.374 3.423 20 30 CGEDMO C[C@H](c1nnc(-c2ccccc2)o1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595611145 347326177 /nfs/dbraw/zinc/32/61/77/347326177.db2.gz HJQQSOZXOLGGOG-ZIAGYGMSSA-N 1 1 296.374 3.423 20 30 CGEDMO CCOc1ccc(OCC[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595609536 347326256 /nfs/dbraw/zinc/32/62/56/347326256.db2.gz MAXGUQKKEKKPNJ-OAHLLOKOSA-N 1 1 288.391 3.090 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000595611688 347326586 /nfs/dbraw/zinc/32/65/86/347326586.db2.gz MWYUNCWHUBCUKY-AWEZNQCLSA-N 1 1 281.359 3.467 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000595611688 347326588 /nfs/dbraw/zinc/32/65/88/347326588.db2.gz MWYUNCWHUBCUKY-AWEZNQCLSA-N 1 1 281.359 3.467 20 30 CGEDMO COC(=O)c1oc([C@H](C)[N@@H+]2CCC[C@H](CC#N)C2)cc1C ZINC000595620316 347328141 /nfs/dbraw/zinc/32/81/41/347328141.db2.gz LRBNGENVUHKBKG-QWHCGFSZSA-N 1 1 290.363 3.061 20 30 CGEDMO COC(=O)c1oc([C@H](C)[N@H+]2CCC[C@H](CC#N)C2)cc1C ZINC000595620316 347328146 /nfs/dbraw/zinc/32/81/46/347328146.db2.gz LRBNGENVUHKBKG-QWHCGFSZSA-N 1 1 290.363 3.061 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000595622839 347329142 /nfs/dbraw/zinc/32/91/42/347329142.db2.gz DTHUMFSGBRZBNG-NSHDSACASA-N 1 1 294.301 3.134 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000595623642 347329822 /nfs/dbraw/zinc/32/98/22/347329822.db2.gz WCLQWEYBWNVCOZ-LLVKDONJSA-N 1 1 283.297 3.226 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000595623642 347329824 /nfs/dbraw/zinc/32/98/24/347329824.db2.gz WCLQWEYBWNVCOZ-LLVKDONJSA-N 1 1 283.297 3.226 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@H](C(=O)OC)[C@@H]2CCCC[C@H]21 ZINC000595729759 347347747 /nfs/dbraw/zinc/34/77/47/347347747.db2.gz FSRKPYXAMIHKAK-SOUVJXGZSA-N 1 1 265.397 3.006 20 30 CGEDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(CCC(C)(C)C#N)C1 ZINC000595748337 347349439 /nfs/dbraw/zinc/34/94/39/347349439.db2.gz JBPCUTLRROGQMI-GOSISDBHSA-N 1 1 299.462 3.175 20 30 CGEDMO CN(CCc1ccccc1)[C@@H]1CC[N@H+](CCC(C)(C)C#N)C1 ZINC000595748337 347349440 /nfs/dbraw/zinc/34/94/40/347349440.db2.gz JBPCUTLRROGQMI-GOSISDBHSA-N 1 1 299.462 3.175 20 30 CGEDMO CN(CCc1ccccc1)[C@@H]1CC[N@@H+](CCC(C)(C)C#N)C1 ZINC000595748337 347349442 /nfs/dbraw/zinc/34/94/42/347349442.db2.gz JBPCUTLRROGQMI-GOSISDBHSA-N 1 1 299.462 3.175 20 30 CGEDMO C=CC[N@H+](CCCC1(C#N)CCOCC1)C(C)(C)C ZINC000595766468 347353562 /nfs/dbraw/zinc/35/35/62/347353562.db2.gz WATWQJJBBUYVGE-UHFFFAOYSA-N 1 1 264.413 3.373 20 30 CGEDMO C=CC[N@H+](Cc1ccc(C(=O)OC)s1)C(C)(C)C ZINC000595765548 347353700 /nfs/dbraw/zinc/35/37/00/347353700.db2.gz KKGVNLMCBDHUKR-UHFFFAOYSA-N 1 1 267.394 3.321 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCCC[C@H]2c2cc[nH]n2)cc1 ZINC000595482447 347310056 /nfs/dbraw/zinc/31/00/56/347310056.db2.gz BOSSHNGIVQYKQS-KRWDZBQOSA-N 1 1 280.375 3.051 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3ccccn3)C2)cc1F ZINC000595501282 347312560 /nfs/dbraw/zinc/31/25/60/347312560.db2.gz HHHKYJJQGHXLHN-INIZCTEOSA-N 1 1 295.361 3.472 20 30 CGEDMO N#Cc1ccc(CC[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 ZINC000595511004 347313500 /nfs/dbraw/zinc/31/35/00/347313500.db2.gz OBXFJJIQMYZUMV-OTWHNJEPSA-N 1 1 298.430 3.116 20 30 CGEDMO CC[N@H+]1CCCN(Cc2ccc(Cl)cc2C#N)[C@@H](C)C1 ZINC000595534647 347315891 /nfs/dbraw/zinc/31/58/91/347315891.db2.gz DMNZJGLXQONQFE-ZDUSSCGKSA-N 1 1 291.826 3.128 20 30 CGEDMO COc1cc(C#N)cc(OC[C@@H]2CCCC[N@H+]2C(C)C)c1 ZINC000596280232 347410027 /nfs/dbraw/zinc/41/00/27/347410027.db2.gz WJVQIKUQHXXZAX-HNNXBMFYSA-N 1 1 288.391 3.209 20 30 CGEDMO CCC(CC)CCC[N@@H+](C)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000595831310 347362717 /nfs/dbraw/zinc/36/27/17/347362717.db2.gz NSGCELSSOKRSPI-CQSZACIVSA-N 1 1 293.455 3.086 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000595841647 347365813 /nfs/dbraw/zinc/36/58/13/347365813.db2.gz NMGYRSCWFLOWLC-NVXWUHKLSA-N 1 1 254.377 3.342 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC000595842873 347366650 /nfs/dbraw/zinc/36/66/50/347366650.db2.gz WAISJWHXONFWKV-GASCZTMLSA-N 1 1 258.321 3.278 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000595845023 347367482 /nfs/dbraw/zinc/36/74/82/347367482.db2.gz KLTBZOKSUJJUHJ-RRQGHBQHSA-N 1 1 295.386 3.068 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](C[C@H]2CCc3ccccc3C2)C1 ZINC000595844568 347367519 /nfs/dbraw/zinc/36/75/19/347367519.db2.gz VBQCKJYEYYPNSF-YOEHRIQHSA-N 1 1 254.377 3.027 20 30 CGEDMO C=CCCCCC[NH2+]C1(C(=O)OC(C)(C)C)CCOCC1 ZINC000595896871 347371072 /nfs/dbraw/zinc/37/10/72/347371072.db2.gz MEGWSKAMKBQIJY-UHFFFAOYSA-N 1 1 297.439 3.213 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000595920922 347372773 /nfs/dbraw/zinc/37/27/73/347372773.db2.gz UVRJTZOQXHOCQF-MLGOLLRUSA-N 1 1 294.345 3.111 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000595920922 347372775 /nfs/dbraw/zinc/37/27/75/347372775.db2.gz UVRJTZOQXHOCQF-MLGOLLRUSA-N 1 1 294.345 3.111 20 30 CGEDMO Cc1ccc(C#N)nc1N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000596186764 347395847 /nfs/dbraw/zinc/39/58/47/347395847.db2.gz VRSYROIBASJKHS-OAHLLOKOSA-N 1 1 294.402 3.194 20 30 CGEDMO N#Cc1ccc(-c2ccc(CC[NH+]3CCOCC3)cc2)s1 ZINC000596632040 347493613 /nfs/dbraw/zinc/49/36/13/347493613.db2.gz UQJPWYGSKRYPIY-UHFFFAOYSA-N 1 1 298.411 3.161 20 30 CGEDMO Cc1ccc(C#N)nc1N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000596478070 347464379 /nfs/dbraw/zinc/46/43/79/347464379.db2.gz FJYOATTUROKBCE-HNNXBMFYSA-N 1 1 284.407 3.081 20 30 CGEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2NCC1([NH3+])CCCC1 ZINC000596649344 347497941 /nfs/dbraw/zinc/49/79/41/347497941.db2.gz ZADZXMXAMDKHLR-KRWDZBQOSA-N 1 1 283.419 3.187 20 30 CGEDMO N#Cc1ccc2c(c1)CCCC[C@H]2NCC1([NH3+])CCCC1 ZINC000596649352 347498018 /nfs/dbraw/zinc/49/80/18/347498018.db2.gz ZADZXMXAMDKHLR-QGZVFWFLSA-N 1 1 283.419 3.187 20 30 CGEDMO CC(C)[N@H+]1CCCN(Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596978444 347523762 /nfs/dbraw/zinc/52/37/62/347523762.db2.gz YKLLKHUAHOFARB-UHFFFAOYSA-N 1 1 297.446 3.158 20 30 CGEDMO CC[N@@H+](Cc1cnn2c1CCC2)[C@@H](C)c1ccc(C#N)cc1 ZINC000596984252 347524439 /nfs/dbraw/zinc/52/44/39/347524439.db2.gz RYBACNGXCFUMET-AWEZNQCLSA-N 1 1 294.402 3.284 20 30 CGEDMO CCC[N@@H+](Cc1cnn2c1CCC2)Cc1ccc(C#N)cc1 ZINC000596984916 347524596 /nfs/dbraw/zinc/52/45/96/347524596.db2.gz XOWZCPFHRDLGPG-UHFFFAOYSA-N 1 1 294.402 3.113 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC000597177493 347545233 /nfs/dbraw/zinc/54/52/33/347545233.db2.gz NDLDVKXSMIOJBV-AWEZNQCLSA-N 1 1 254.377 3.301 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)[C@@H](C)[C@H](C)O1 ZINC000597111515 347536249 /nfs/dbraw/zinc/53/62/49/347536249.db2.gz PYFKISFIZIIJJY-ILXRZTDVSA-N 1 1 284.403 3.239 20 30 CGEDMO CC[C@@H]1C[N@@H+](CC)CCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597138656 347539599 /nfs/dbraw/zinc/53/95/99/347539599.db2.gz BBPSCAWAIKHXIN-GOSISDBHSA-N 1 1 297.446 3.158 20 30 CGEDMO CC[C@@H]1CN(CC)CC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597138656 347539606 /nfs/dbraw/zinc/53/96/06/347539606.db2.gz BBPSCAWAIKHXIN-GOSISDBHSA-N 1 1 297.446 3.158 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CCC[C@@H](CCF)C2)c1 ZINC000597210439 347555262 /nfs/dbraw/zinc/55/52/62/347555262.db2.gz HADWPJLFJUMRNB-NSHDSACASA-N 1 1 252.358 3.191 20 30 CGEDMO C[C@@H]1C[N@H+](CC(C)(C)CCC#N)C[C@H](CC(F)(F)F)O1 ZINC000597243404 347562161 /nfs/dbraw/zinc/56/21/61/347562161.db2.gz OOIIRDJSDRPSAB-NEPJUHHUSA-N 1 1 292.345 3.358 20 30 CGEDMO C[C@@H]1C[N@@H+](CC(C)(C)CCC#N)C[C@H](CC(F)(F)F)O1 ZINC000597243404 347562163 /nfs/dbraw/zinc/56/21/63/347562163.db2.gz OOIIRDJSDRPSAB-NEPJUHHUSA-N 1 1 292.345 3.358 20 30 CGEDMO COc1cc(C[N@@H+](C)C[C@H]2CC2(C)C)ccc1C#N ZINC000597253799 347563167 /nfs/dbraw/zinc/56/31/67/347563167.db2.gz FGPLEYDCXYKNAB-CQSZACIVSA-N 1 1 258.365 3.045 20 30 CGEDMO CC(C)[C@@H]1[N@@H+](C[C@H](O)CC(C)(C)C#N)CC12CCCC2 ZINC000598707728 347681294 /nfs/dbraw/zinc/68/12/94/347681294.db2.gz ZMEGVFDMSBUWFT-CABCVRRESA-N 1 1 278.440 3.188 20 30 CGEDMO CN1c2ccccc2C[N@H+](CCCCC(C)(C)C#N)CC1=O ZINC000598947687 347700104 /nfs/dbraw/zinc/70/01/04/347700104.db2.gz PAUSARQJTKDLGQ-UHFFFAOYSA-N 1 1 299.418 3.185 20 30 CGEDMO CN1c2ccccc2C[N@@H+](CCCCC(C)(C)C#N)CC1=O ZINC000598947687 347700108 /nfs/dbraw/zinc/70/01/08/347700108.db2.gz PAUSARQJTKDLGQ-UHFFFAOYSA-N 1 1 299.418 3.185 20 30 CGEDMO C[N@H+]1CC[C@H]([NH2+]C2(c3ccc(C#N)cc3)CCC2)CC1(C)C ZINC000598979336 347702971 /nfs/dbraw/zinc/70/29/71/347702971.db2.gz BWRDFXXKPVWEBD-KRWDZBQOSA-N 1 1 297.446 3.400 20 30 CGEDMO CN1CC[C@H]([NH2+]C2(c3ccc(C#N)cc3)CCC2)CC1(C)C ZINC000598979336 347702974 /nfs/dbraw/zinc/70/29/74/347702974.db2.gz BWRDFXXKPVWEBD-KRWDZBQOSA-N 1 1 297.446 3.400 20 30 CGEDMO C[N@@H+]1CC[C@H](NC2(c3ccc(C#N)cc3)CCC2)CC1(C)C ZINC000598979336 347702979 /nfs/dbraw/zinc/70/29/79/347702979.db2.gz BWRDFXXKPVWEBD-KRWDZBQOSA-N 1 1 297.446 3.400 20 30 CGEDMO C[N@H+]1CC[C@H](NC2(c3ccc(C#N)cc3)CCC2)CC1(C)C ZINC000598979336 347702981 /nfs/dbraw/zinc/70/29/81/347702981.db2.gz BWRDFXXKPVWEBD-KRWDZBQOSA-N 1 1 297.446 3.400 20 30 CGEDMO C[N@@H+](C[C@@H](O)CC(C)(C)C#N)[C@@H]1CCCc2ccccc21 ZINC000598584731 347666078 /nfs/dbraw/zinc/66/60/78/347666078.db2.gz UDYNZRWLOTUASP-DOTOQJQBSA-N 1 1 286.419 3.297 20 30 CGEDMO CCc1ccc([C@H]2CCC[N@H+]2C[C@H](O)CC(C)(C)C#N)o1 ZINC000598592296 347667428 /nfs/dbraw/zinc/66/74/28/347667428.db2.gz IZPSVRRFQZDFPD-UKRRQHHQSA-N 1 1 290.407 3.280 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@@H+](CC1CC1)C1CCCCC1 ZINC000598588476 347667750 /nfs/dbraw/zinc/66/77/50/347667750.db2.gz AMMIJDKBFAZERZ-MRXNPFEDSA-N 1 1 278.440 3.332 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCSC2(CCCCC2)C1 ZINC000598592912 347668374 /nfs/dbraw/zinc/66/83/74/347668374.db2.gz NBUXEIZRCFRNHH-CQSZACIVSA-N 1 1 296.480 3.039 20 30 CGEDMO CC(C)CC[C@@H]1CCC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598593048 347668624 /nfs/dbraw/zinc/66/86/24/347668624.db2.gz ONGHCIPVNZIATC-GJZGRUSLSA-N 1 1 266.429 3.188 20 30 CGEDMO Cc1cccc(C2=CC[N@@H+](C[C@H](O)CC(C)(C)C#N)CC2)c1 ZINC000598601997 347670074 /nfs/dbraw/zinc/67/00/74/347670074.db2.gz YQPYEYBMYDXOPO-GOSISDBHSA-N 1 1 298.430 3.385 20 30 CGEDMO CC(C)(C)[C@H]1CCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598611315 347671200 /nfs/dbraw/zinc/67/12/00/347671200.db2.gz MHXZLUNLNZGBRP-KBPBESRZSA-N 1 1 266.429 3.045 20 30 CGEDMO C[N@H+](Cc1cc(Cl)ccc1F)C[C@H](O)CC(C)(C)C#N ZINC000598612061 347671226 /nfs/dbraw/zinc/67/12/26/347671226.db2.gz YRWFYBQXTJHRQT-CYBMUJFWSA-N 1 1 298.789 3.212 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000598620203 347672401 /nfs/dbraw/zinc/67/24/01/347672401.db2.gz JOXIQMFOMONZEJ-ZFWWWQNUSA-N 1 1 288.391 3.107 20 30 CGEDMO COc1ccc([C@@H]2CC[N@H+]([C@@H](C)CCC#N)C2)cc1F ZINC000599680150 347765410 /nfs/dbraw/zinc/76/54/10/347765410.db2.gz RXOARYVCYQVHDQ-GXTWGEPZSA-N 1 1 276.355 3.316 20 30 CGEDMO N#CCc1cccc2c1CC[N@H+](Cc1ccc(F)cc1)C2 ZINC000599685242 347765980 /nfs/dbraw/zinc/76/59/80/347765980.db2.gz BQSGCIALTAUYSR-UHFFFAOYSA-N 1 1 280.346 3.450 20 30 CGEDMO C/C=C\C[C@@H]1CCC[N@@H+](Cc2ccncc2C#N)C1 ZINC000599690954 347766668 /nfs/dbraw/zinc/76/66/68/347766668.db2.gz PROLUDGDDCLNMP-PYLYLYNFSA-N 1 1 255.365 3.131 20 30 CGEDMO C[C@H](C#N)C[N@H+](Cc1ccc2[nH]ccc2c1)C1CC1 ZINC000600121557 347781942 /nfs/dbraw/zinc/78/19/42/347781942.db2.gz WPCFHHQTGCFBKH-GFCCVEGCSA-N 1 1 253.349 3.292 20 30 CGEDMO C[C@H](C#N)C[N@@H+](Cc1ccc2[nH]ccc2c1)C1CC1 ZINC000600121557 347781944 /nfs/dbraw/zinc/78/19/44/347781944.db2.gz WPCFHHQTGCFBKH-GFCCVEGCSA-N 1 1 253.349 3.292 20 30 CGEDMO CCO[C@@H](C[N@@H+](Cc1ccc(C#N)cc1)C1CC1)C1CC1 ZINC000599272941 347731284 /nfs/dbraw/zinc/73/12/84/347731284.db2.gz UEPHNXBCKWNIPU-SFHVURJKSA-N 1 1 284.403 3.338 20 30 CGEDMO Cc1ccc(C[N@H+](C)C(C2CC2)C2CC2)cc1C#N ZINC000599277706 347731903 /nfs/dbraw/zinc/73/19/03/347731903.db2.gz SDGBKNCWCAODAS-UHFFFAOYSA-N 1 1 254.377 3.487 20 30 CGEDMO Cc1ccc(C[N@@H+](C)CCC2CCOCC2)cc1C#N ZINC000599310780 347734166 /nfs/dbraw/zinc/73/41/66/347734166.db2.gz CNVWSYAIDWLKPJ-UHFFFAOYSA-N 1 1 272.392 3.115 20 30 CGEDMO CC1(C)C[N@@H+](C[C@@H](O)CC2(C#N)CC2)[C@H]1c1ccccc1 ZINC000599329636 347736260 /nfs/dbraw/zinc/73/62/60/347736260.db2.gz AWODYMZELYCPQJ-HOTGVXAUSA-N 1 1 284.403 3.124 20 30 CGEDMO Cc1ccc(C[N@H+]2CC(C)(C)[C@@H]2[C@H]2CCCO2)cc1C#N ZINC000599421735 347743239 /nfs/dbraw/zinc/74/32/39/347743239.db2.gz PCYRQUVRZXJQNY-SJORKVTESA-N 1 1 284.403 3.256 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)cc1C#N ZINC000599428975 347743782 /nfs/dbraw/zinc/74/37/82/347743782.db2.gz MGADVLOOYPOFOY-GOSISDBHSA-N 1 1 286.419 3.097 20 30 CGEDMO CCc1nocc1C[N@H+](C)Cc1ccc(C)c(C#N)c1 ZINC000599428173 347744075 /nfs/dbraw/zinc/74/40/75/347744075.db2.gz APQVKNZAFSATAW-UHFFFAOYSA-N 1 1 269.348 3.049 20 30 CGEDMO CCc1nocc1C[N@@H+](C)Cc1ccc(C)c(C#N)c1 ZINC000599428173 347744076 /nfs/dbraw/zinc/74/40/76/347744076.db2.gz APQVKNZAFSATAW-UHFFFAOYSA-N 1 1 269.348 3.049 20 30 CGEDMO Cc1ccc(C[N@H+](C)[C@H](CO)CC(C)(C)C)cc1C#N ZINC000599432744 347744899 /nfs/dbraw/zinc/74/48/99/347744899.db2.gz BLKSINVGAYHOBU-INIZCTEOSA-N 1 1 274.408 3.096 20 30 CGEDMO COc1ccc(C[N@H+](CCC#N)C(C)C)cc1OC1CC1 ZINC000600111867 347780466 /nfs/dbraw/zinc/78/04/66/347780466.db2.gz RQNQYPAEOWAKAJ-UHFFFAOYSA-N 1 1 288.391 3.360 20 30 CGEDMO COc1ccc(C[N@@H+](CCC#N)C(C)C)cc1OC1CC1 ZINC000600111867 347780468 /nfs/dbraw/zinc/78/04/68/347780468.db2.gz RQNQYPAEOWAKAJ-UHFFFAOYSA-N 1 1 288.391 3.360 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H](C)C1(F)F ZINC000599511903 347748928 /nfs/dbraw/zinc/74/89/28/347748928.db2.gz CVMKLCPBCOLCAB-PHIMTYICSA-N 1 1 282.309 3.420 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000599529008 347751401 /nfs/dbraw/zinc/75/14/01/347751401.db2.gz KEBBEAGFNCDHNV-LLVKDONJSA-N 1 1 294.326 3.141 20 30 CGEDMO N#CCc1ccc(C[N@@H+]2CCCC(F)(F)CC2)cc1 ZINC000599552665 347753913 /nfs/dbraw/zinc/75/39/13/347753913.db2.gz LUKISJSFQKDTBQ-UHFFFAOYSA-N 1 1 264.319 3.374 20 30 CGEDMO C[C@]1(C[N@H+]2CCc3c(CC#N)cccc3C2)CCCS1 ZINC000600213100 347793985 /nfs/dbraw/zinc/79/39/85/347793985.db2.gz QGZWSMJLTPZJRI-QGZVFWFLSA-N 1 1 286.444 3.396 20 30 CGEDMO N#CC1(C[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000600153603 347785450 /nfs/dbraw/zinc/78/54/50/347785450.db2.gz NNSFWEMSUUFZKP-CYBMUJFWSA-N 1 1 264.731 3.360 20 30 CGEDMO C[N@H+](Cc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CCC[C@H]1C#N ZINC000600860595 347841843 /nfs/dbraw/zinc/84/18/43/347841843.db2.gz XYIBLRIRMFASTQ-NWDGAFQWSA-N 1 1 294.301 3.132 20 30 CGEDMO C[N@@H+](Cc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CCC[C@H]1C#N ZINC000600860595 347841846 /nfs/dbraw/zinc/84/18/46/347841846.db2.gz XYIBLRIRMFASTQ-NWDGAFQWSA-N 1 1 294.301 3.132 20 30 CGEDMO CC[C@@H]1CCC[N@H+]1Cc1ccc(-c2cnn(CC#N)c2)cc1 ZINC000600774987 347833364 /nfs/dbraw/zinc/83/33/64/347833364.db2.gz IIULPJRQQCCTGN-GOSISDBHSA-N 1 1 294.402 3.448 20 30 CGEDMO CC(C)[C@H]1[N@@H+](C[C@H](O)CC2(C#N)CC2)CC12CCCCC2 ZINC000601958961 347929319 /nfs/dbraw/zinc/92/93/19/347929319.db2.gz KESKRCUDHRMNLP-HZPDHXFCSA-N 1 1 290.451 3.332 20 30 CGEDMO COc1cc2c(cc1OC)C[N@@H+](C[C@H](C)CCC#N)CC2 ZINC000602431405 347957184 /nfs/dbraw/zinc/95/71/84/347957184.db2.gz CYQZCGSZQXNGDO-CYBMUJFWSA-N 1 1 288.391 3.002 20 30 CGEDMO Cc1cc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)sn1 ZINC000602439491 347958046 /nfs/dbraw/zinc/95/80/46/347958046.db2.gz GXPHDJMPLDJBAB-UHFFFAOYSA-N 1 1 283.400 3.488 20 30 CGEDMO Cc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)sn1 ZINC000602439491 347958048 /nfs/dbraw/zinc/95/80/48/347958048.db2.gz GXPHDJMPLDJBAB-UHFFFAOYSA-N 1 1 283.400 3.488 20 30 CGEDMO CC[N@@H+](Cc1cccc(C#N)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000602443234 347959277 /nfs/dbraw/zinc/95/92/77/347959277.db2.gz HTSGBVWJJCMSHO-CQSZACIVSA-N 1 1 290.370 3.408 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000602443802 347959412 /nfs/dbraw/zinc/95/94/12/347959412.db2.gz WAHSEIOUUQAPNW-DOTOQJQBSA-N 1 1 256.393 3.491 20 30 CGEDMO C=CC[N@@H+](CCC[C@H]1CCO1)Cc1cccc(C#N)c1 ZINC000602455264 347960806 /nfs/dbraw/zinc/96/08/06/347960806.db2.gz QXUDVKJNJTWGAH-KRWDZBQOSA-N 1 1 270.376 3.115 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000602457244 347960905 /nfs/dbraw/zinc/96/09/05/347960905.db2.gz CKGHDAQKIDAKOK-INMHGKMJSA-N 1 1 272.392 3.388 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000602472472 347964325 /nfs/dbraw/zinc/96/43/25/347964325.db2.gz KLPVBTAXGGYEPL-DOTOQJQBSA-N 1 1 272.392 3.174 20 30 CGEDMO C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cc1cccc(C#N)n1 ZINC000602477945 347964772 /nfs/dbraw/zinc/96/47/72/347964772.db2.gz UTXATQGLAHAEKG-RDJZCZTQSA-N 1 1 291.398 3.406 20 30 CGEDMO CC[C@H](C)[C@H]1CCCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602475488 347965217 /nfs/dbraw/zinc/96/52/17/347965217.db2.gz BVEVMGNYRNRXDO-XJKSGUPXSA-N 1 1 257.381 3.354 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](CCCO)Cc1cccc(Cl)c1 ZINC000602481706 347966396 /nfs/dbraw/zinc/96/63/96/347966396.db2.gz AFHDPBLVEWPINA-CQSZACIVSA-N 1 1 294.826 3.464 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCOC2(C1)CCCCCC2 ZINC000602480113 347966452 /nfs/dbraw/zinc/96/64/52/347966452.db2.gz SWMWOLJMTQUGKZ-OAHLLOKOSA-N 1 1 264.413 3.351 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCC[C@@H]1CCO1 ZINC000602486564 347967880 /nfs/dbraw/zinc/96/78/80/347967880.db2.gz UPEHQJBIRLIAKN-KZNAEPCWSA-N 1 1 284.403 3.327 20 30 CGEDMO C[C@H](CCC#N)C[NH2+][C@@H](C)c1noc(Cc2ccccc2)n1 ZINC000602573111 347985789 /nfs/dbraw/zinc/98/57/89/347985789.db2.gz NTIHNCXXZIBLGF-KGLIPLIRSA-N 1 1 298.390 3.251 20 30 CGEDMO N#CCCCN[C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602603572 347991981 /nfs/dbraw/zinc/99/19/81/347991981.db2.gz DIZSGRXDTNRLCW-WMZOPIPTSA-N 1 1 283.419 3.248 20 30 CGEDMO N#CCCCN[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602603572 347991984 /nfs/dbraw/zinc/99/19/84/347991984.db2.gz DIZSGRXDTNRLCW-WMZOPIPTSA-N 1 1 283.419 3.248 20 30 CGEDMO COc1cccc(C)c1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000602611693 347993548 /nfs/dbraw/zinc/99/35/48/347993548.db2.gz YOXUPRNHNGZNDB-INIZCTEOSA-N 1 1 258.365 3.129 20 30 CGEDMO COc1cccc(C)c1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000602611693 347993552 /nfs/dbraw/zinc/99/35/52/347993552.db2.gz YOXUPRNHNGZNDB-INIZCTEOSA-N 1 1 258.365 3.129 20 30 CGEDMO N#CCC1(C[N@H+]2CCS[C@H](c3ccccc3)C2)CC1 ZINC000602785615 348028585 /nfs/dbraw/zinc/02/85/85/348028585.db2.gz WZWFJUZTQNNXKJ-HNNXBMFYSA-N 1 1 272.417 3.470 20 30 CGEDMO CC1(C)C[N@H+](Cc2cccc(C#N)n2)Cc2ccccc2O1 ZINC000602665798 348004198 /nfs/dbraw/zinc/00/41/98/348004198.db2.gz VPGGNWAMRNYQHB-UHFFFAOYSA-N 1 1 293.370 3.126 20 30 CGEDMO CC1(C)C[N@@H+](Cc2cccc(C#N)n2)Cc2ccccc2O1 ZINC000602665798 348004199 /nfs/dbraw/zinc/00/41/99/348004199.db2.gz VPGGNWAMRNYQHB-UHFFFAOYSA-N 1 1 293.370 3.126 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000602680774 348008108 /nfs/dbraw/zinc/00/81/08/348008108.db2.gz HCKSUQMCXSNYAP-KBPBESRZSA-N 1 1 252.427 3.145 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000602685181 348008819 /nfs/dbraw/zinc/00/88/19/348008819.db2.gz MMWBGTKCRPGJRC-XHSDSOJGSA-N 1 1 276.424 3.207 20 30 CGEDMO CC(C)[C@H]1[N@@H+](Cc2cccc(C#N)n2)CC12CCCC2 ZINC000602686903 348009103 /nfs/dbraw/zinc/00/91/03/348009103.db2.gz SBQUGRLWNBEMCL-MRXNPFEDSA-N 1 1 269.392 3.354 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)[C@H](c1nccn1C)C1CC1 ZINC000602694267 348010484 /nfs/dbraw/zinc/01/04/84/348010484.db2.gz YPLUWIKZOWLVOV-GUYCJALGSA-N 1 1 294.402 3.436 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)[C@H](c1nccn1C)C1CC1 ZINC000602694267 348010485 /nfs/dbraw/zinc/01/04/85/348010485.db2.gz YPLUWIKZOWLVOV-GUYCJALGSA-N 1 1 294.402 3.436 20 30 CGEDMO CCS[C@H]1CC[C@@H]([N@@H+](C)CC2(CC#N)CC2)C1 ZINC000602788516 348029089 /nfs/dbraw/zinc/02/90/89/348029089.db2.gz ZVTKQPCAAOKTCD-OLZOCXBDSA-N 1 1 252.427 3.286 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CC[C@@H](OCc2ccccn2)C1 ZINC000602714383 348015839 /nfs/dbraw/zinc/01/58/39/348015839.db2.gz IBRAOISUSOYZKR-MRXNPFEDSA-N 1 1 287.407 3.002 20 30 CGEDMO C[C@@]1(C[N@H+]2CC[C@](C)(C#N)C2)C[C@H]1c1ccccc1 ZINC000602716256 348016295 /nfs/dbraw/zinc/01/62/95/348016295.db2.gz COMHMVDIVIWAOU-BBWFWOEESA-N 1 1 254.377 3.416 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC[C@@H](O)C[C@H]1c1ccccc1 ZINC000602730328 348020315 /nfs/dbraw/zinc/02/03/15/348020315.db2.gz FLFVCIYUPRTZDZ-OIISXLGYSA-N 1 1 272.392 3.124 20 30 CGEDMO N#CCC1(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)CC1 ZINC000602772818 348025997 /nfs/dbraw/zinc/02/59/97/348025997.db2.gz KUQDBFMJWOSAIS-AWEZNQCLSA-N 1 1 284.359 3.246 20 30 CGEDMO N#CCC1(C[N@@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)CC1 ZINC000602831952 348034920 /nfs/dbraw/zinc/03/49/20/348034920.db2.gz MGTYXKGBDFWYCG-HNNXBMFYSA-N 1 1 290.794 3.487 20 30 CGEDMO CC(C)(C#N)CCCN1CCC(C)([NH+]2CCCC2)CC1 ZINC000602949182 348046996 /nfs/dbraw/zinc/04/69/96/348046996.db2.gz FUQFQIUHDWPDLR-UHFFFAOYSA-N 1 1 277.456 3.267 20 30 CGEDMO C[N@H+](Cc1cc2ccccc2[nH]c1=O)[C@H]1CCC[C@@H]1C#N ZINC000602978854 348049426 /nfs/dbraw/zinc/04/94/26/348049426.db2.gz XNNHXAHSVHDESI-CJNGLKHVSA-N 1 1 281.359 3.064 20 30 CGEDMO C[N@@H+](Cc1cc2ccccc2[nH]c1=O)[C@H]1CCC[C@@H]1C#N ZINC000602978854 348049427 /nfs/dbraw/zinc/04/94/27/348049427.db2.gz XNNHXAHSVHDESI-CJNGLKHVSA-N 1 1 281.359 3.064 20 30 CGEDMO COc1cncc(/C=C\CC[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000602982618 348052351 /nfs/dbraw/zinc/05/23/51/348052351.db2.gz VOFOUBGFCGUEJX-HQVKWAHHSA-N 1 1 285.391 3.118 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000602997590 348053776 /nfs/dbraw/zinc/05/37/76/348053776.db2.gz NHXKQODKTFICDU-OAGGEKHMSA-N 1 1 278.440 3.332 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1CCOC(C)(C)C1 ZINC000351919702 219247924 /nfs/dbraw/zinc/24/79/24/219247924.db2.gz SHCLWKCJDKJVME-OAHLLOKOSA-N 1 1 290.382 3.477 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)N[C@@H](c1ccccc1)C(C)C ZINC000605738795 348167341 /nfs/dbraw/zinc/16/73/41/348167341.db2.gz YMQSRORZNOUJAO-GOSISDBHSA-N 1 1 288.435 3.398 20 30 CGEDMO Cc1cc(C[NH+]2CCN([C@H](C#N)C(C)C)CC2)c(C)s1 ZINC000609538117 348346861 /nfs/dbraw/zinc/34/68/61/348346861.db2.gz METXATSBQNQWGX-MRXNPFEDSA-N 1 1 291.464 3.031 20 30 CGEDMO C[C@@H]([NH2+]Cc1nc2ccccc2n1C)c1cccc(C#N)c1 ZINC000610345275 348376802 /nfs/dbraw/zinc/37/68/02/348376802.db2.gz ZMPITNFDKIVPHJ-CYBMUJFWSA-N 1 1 290.370 3.296 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccnc(C#N)c1 ZINC000610991830 348414007 /nfs/dbraw/zinc/41/40/07/348414007.db2.gz SWSIJJUAXZSFOV-UHFFFAOYSA-N 1 1 290.370 3.236 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@H](c3ccco3)C2)cc1C#N ZINC000610992823 348415128 /nfs/dbraw/zinc/41/51/28/348415128.db2.gz MLTOXGLRFSKKGK-AWEZNQCLSA-N 1 1 282.343 3.149 20 30 CGEDMO CCC[C@@H]1[C@H](C)CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610994980 348417038 /nfs/dbraw/zinc/41/70/38/348417038.db2.gz QFLWJMWCWZTDKM-CZUORRHYSA-N 1 1 257.381 3.354 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000611394551 348446526 /nfs/dbraw/zinc/44/65/26/348446526.db2.gz POVCYHQHROMIPR-IRXDYDNUSA-N 1 1 292.386 3.326 20 30 CGEDMO N#Cc1ccc(C[NH+]2C3CCC2CC3)c(Br)c1 ZINC000611500398 348456465 /nfs/dbraw/zinc/45/64/65/348456465.db2.gz NXBCHJHFHULJSV-UHFFFAOYSA-N 1 1 291.192 3.448 20 30 CGEDMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000611531623 348459642 /nfs/dbraw/zinc/45/96/42/348459642.db2.gz DFEJCKSYNSYCAC-AWEZNQCLSA-N 1 1 294.439 3.228 20 30 CGEDMO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1ccnc(C#N)c1 ZINC000611554376 348460250 /nfs/dbraw/zinc/46/02/50/348460250.db2.gz MXCIRWNOOCDCCO-JQWIXIFHSA-N 1 1 283.297 3.116 20 30 CGEDMO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1ccnc(C#N)c1 ZINC000611554376 348460253 /nfs/dbraw/zinc/46/02/53/348460253.db2.gz MXCIRWNOOCDCCO-JQWIXIFHSA-N 1 1 283.297 3.116 20 30 CGEDMO COc1ccc2oc(C[NH2+]CC(C)(C)C#N)cc2c1 ZINC000612585230 348530267 /nfs/dbraw/zinc/53/02/67/348530267.db2.gz SVUGAZLLBCEAPJ-UHFFFAOYSA-N 1 1 258.321 3.081 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000612585943 348530573 /nfs/dbraw/zinc/53/05/73/348530573.db2.gz ZJZTVAPDQCNLIJ-UHFFFAOYSA-N 1 1 286.297 3.267 20 30 CGEDMO CC[C@H](C)Oc1cc(C[NH2+]C[C@H](C)C#N)ccc1OC ZINC000612586543 348531383 /nfs/dbraw/zinc/53/13/83/348531383.db2.gz BVBBRGJFUCMIIX-OLZOCXBDSA-N 1 1 276.380 3.122 20 30 CGEDMO CC(C)(C#N)C[NH2+]C/C=C\c1ccc(F)cc1F ZINC000612587901 348531757 /nfs/dbraw/zinc/53/17/57/348531757.db2.gz AWFYKAMXQJLDCV-ARJAWSKDSA-N 1 1 250.292 3.117 20 30 CGEDMO CCC[N@@H+](CC)CCNc1nc(C(C)(C)C)ccc1C#N ZINC000613426254 348600804 /nfs/dbraw/zinc/60/08/04/348600804.db2.gz QPNWURHKPMFBEZ-UHFFFAOYSA-N 1 1 288.439 3.395 20 30 CGEDMO CC[C@@H]1COCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614167539 348654197 /nfs/dbraw/zinc/65/41/97/348654197.db2.gz SNAISLHIQGCMGR-MRXNPFEDSA-N 1 1 272.392 3.099 20 30 CGEDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176820 348655206 /nfs/dbraw/zinc/65/52/06/348655206.db2.gz LXMAESKHZOFSRZ-GJZGRUSLSA-N 1 1 285.435 3.012 20 30 CGEDMO C[C@H]1[C@H](C)[N@H+](Cc2ccc(C(C)(C)C#N)cc2)CCN1C ZINC000614176820 348655211 /nfs/dbraw/zinc/65/52/11/348655211.db2.gz LXMAESKHZOFSRZ-GJZGRUSLSA-N 1 1 285.435 3.012 20 30 CGEDMO C[C@H]1[C@H](C)[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CCN1C ZINC000614176820 348655216 /nfs/dbraw/zinc/65/52/16/348655216.db2.gz LXMAESKHZOFSRZ-GJZGRUSLSA-N 1 1 285.435 3.012 20 30 CGEDMO N#CCCCC[N@H+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000614235660 348661272 /nfs/dbraw/zinc/66/12/72/348661272.db2.gz CJFLJKCYHHYHLQ-MRXNPFEDSA-N 1 1 296.418 3.442 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+](CC1CCCCC1)C1CC1 ZINC000613501944 348612241 /nfs/dbraw/zinc/61/22/41/348612241.db2.gz OJRJNGGSWOKZBF-UHFFFAOYSA-N 1 1 292.467 3.456 20 30 CGEDMO CCO[C@H]1CCC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000614461759 348678270 /nfs/dbraw/zinc/67/82/70/348678270.db2.gz VVPKOPLIVGACTK-BBRMVZONSA-N 1 1 258.365 3.120 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(F)c(F)c1 ZINC000614800097 348694667 /nfs/dbraw/zinc/69/46/67/348694667.db2.gz CWYYPTSDWFGHHL-JTQLQIEISA-N 1 1 273.286 3.082 20 30 CGEDMO CCn1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000616129666 348788837 /nfs/dbraw/zinc/78/88/37/348788837.db2.gz PDSCPZLHXYEDJA-UHFFFAOYSA-N 1 1 253.349 3.012 20 30 CGEDMO C[C@H]1CN(c2ccccc2F)CC[N@H+]1CCC(C)(C)C#N ZINC000616135021 348789008 /nfs/dbraw/zinc/78/90/08/348789008.db2.gz BDSWNQQFLRFVAS-AWEZNQCLSA-N 1 1 289.398 3.276 20 30 CGEDMO Cc1cc(F)ccc1C[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000617062512 348911744 /nfs/dbraw/zinc/91/17/44/348911744.db2.gz AZGSQICNIOSCPZ-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO Cc1noc(C)c1C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000358571746 233157033 /nfs/dbraw/zinc/15/70/33/233157033.db2.gz PSOBYLYHIWVUPL-SECBINFHSA-N 1 1 273.311 3.153 20 30 CGEDMO C=CCC1(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CCCC1 ZINC000619112292 349206633 /nfs/dbraw/zinc/20/66/33/349206633.db2.gz ZOCHCNSDEQBLFA-CQSZACIVSA-N 1 1 289.423 3.402 20 30 CGEDMO CC(C)(C)[C@H]1CCC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000619516689 349255103 /nfs/dbraw/zinc/25/51/03/349255103.db2.gz MDGNMVMPENTIFO-AWEZNQCLSA-N 1 1 257.381 3.211 20 30 CGEDMO CO[C@]1(C)CCC[N@@H+](Cc2ccc(C#N)cc2C)CC1 ZINC000619512838 349255698 /nfs/dbraw/zinc/25/56/98/349255698.db2.gz BCCMWFITVIEXIP-QGZVFWFLSA-N 1 1 272.392 3.258 20 30 CGEDMO C[NH+](C)CC1(NCc2ccc(C(C)(C)C#N)cc2)CCC1 ZINC000619622857 349263827 /nfs/dbraw/zinc/26/38/27/349263827.db2.gz FFBZVHDHHBKWFM-UHFFFAOYSA-N 1 1 285.435 3.062 20 30 CGEDMO N#C[C@@H]1CC[C@H](N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000619672773 349269194 /nfs/dbraw/zinc/26/91/94/349269194.db2.gz ZCKHPFPJLWQDJR-NEWSRXKRSA-N 1 1 297.446 3.495 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000620306385 349354075 /nfs/dbraw/zinc/35/40/75/349354075.db2.gz DVFZBFWYXOXDGV-IXDOHACOSA-N 1 1 288.435 3.103 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2cccc3n[nH]cc32)C1 ZINC000628337894 350504240 /nfs/dbraw/zinc/50/42/40/350504240.db2.gz UKALNFNIGZMBPC-ZDUSSCGKSA-N 1 1 255.365 3.351 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2c(C)nn(-c3ccccn3)c2C)C1 ZINC000628406332 350529442 /nfs/dbraw/zinc/52/94/42/350529442.db2.gz HSDMFBPQLCYOGU-INIZCTEOSA-N 1 1 296.418 3.282 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2cccc3c2OCCCO3)C1 ZINC000628405998 350529924 /nfs/dbraw/zinc/52/99/24/350529924.db2.gz ZMSSQLBVIQRXSF-AWEZNQCLSA-N 1 1 273.376 3.246 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000628405927 350530088 /nfs/dbraw/zinc/53/00/88/350530088.db2.gz XTDCPHWQOGGMDX-ZDUSSCGKSA-N 1 1 261.365 3.102 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cnc(C(C)(C)C)nc2)C1 ZINC000628406531 350530136 /nfs/dbraw/zinc/53/01/36/350530136.db2.gz LIALYKOLSFASMN-ZDUSSCGKSA-N 1 1 259.397 3.172 20 30 CGEDMO C=CC(C)(C)CC[NH2+][C@H](Cc1ccccc1)[C@@H](C)N ZINC000629509671 350699263 /nfs/dbraw/zinc/69/92/63/350699263.db2.gz HBSRSSKMZZPHCY-GDBMZVCRSA-N 1 1 260.425 3.137 20 30 CGEDMO C=CC[C@H]1N(C(=O)C[N@H+](C)C2CCC2)CCCC1(C)C ZINC000629987505 350795674 /nfs/dbraw/zinc/79/56/74/350795674.db2.gz NHXJLFPOULFKDF-OAHLLOKOSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[C@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC000636156464 351726110 /nfs/dbraw/zinc/72/61/10/351726110.db2.gz RWCWXGAJWDUZPK-LSDHHAIUSA-N 1 1 289.423 3.258 20 30 CGEDMO CC(C)CCO[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000122044580 187011759 /nfs/dbraw/zinc/01/17/59/187011759.db2.gz MAFATNYGIFXRRX-MRXNPFEDSA-N 1 1 290.382 3.334 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000122943287 187061937 /nfs/dbraw/zinc/06/19/37/187061937.db2.gz MBLBSSLNHXYOKX-ZIAGYGMSSA-N 1 1 251.395 3.212 20 30 CGEDMO C=CC[N@@H+](CCCc1nc(-c2ccccc2)no1)C1CC1 ZINC000271474566 191159010 /nfs/dbraw/zinc/15/90/10/191159010.db2.gz RRPGDZWXYPTFRM-UHFFFAOYSA-N 1 1 283.375 3.320 20 30 CGEDMO C=C1CC[NH+]([C@H](C)c2cc(C)c(C(=O)OC)o2)CC1 ZINC000271622814 191246017 /nfs/dbraw/zinc/24/60/17/191246017.db2.gz NGDUMTIIWFRJNN-GFCCVEGCSA-N 1 1 263.337 3.088 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1 ZINC000367381907 234210411 /nfs/dbraw/zinc/21/04/11/234210411.db2.gz ZSGUTIRSOZIFMD-MSOLQXFVSA-N 1 1 284.403 3.197 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1 ZINC000367381910 234210788 /nfs/dbraw/zinc/21/07/88/234210788.db2.gz ZSGUTIRSOZIFMD-ZWKOTPCHSA-N 1 1 284.403 3.197 20 30 CGEDMO C=C(C)C[N@@H+](CC)[C@H](C)c1nc(CCCC)no1 ZINC000152549281 188028226 /nfs/dbraw/zinc/02/82/26/188028226.db2.gz DQWKNQPHAQRXID-GFCCVEGCSA-N 1 1 251.374 3.371 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)c1nc(CCCC)no1 ZINC000152549281 188028227 /nfs/dbraw/zinc/02/82/27/188028227.db2.gz DQWKNQPHAQRXID-GFCCVEGCSA-N 1 1 251.374 3.371 20 30 CGEDMO C=C(C)CN1CCC([NH2+][C@@H](C)c2cccnc2Cl)CC1 ZINC000152977411 188057276 /nfs/dbraw/zinc/05/72/76/188057276.db2.gz ZMAYGSIXWWWVSO-ZDUSSCGKSA-N 1 1 293.842 3.426 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000292378116 198265413 /nfs/dbraw/zinc/26/54/13/198265413.db2.gz RKDZCZWVVIOKLG-HOTGVXAUSA-N 1 1 297.446 3.425 20 30 CGEDMO CC#CCC[N@@H+]1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000155031900 188177109 /nfs/dbraw/zinc/17/71/09/188177109.db2.gz IGAGDOOXMHEZLS-HNNXBMFYSA-N 1 1 273.376 3.254 20 30 CGEDMO N#Cc1ccc(C[NH+]2CCCCC2)c(Br)c1 ZINC000155188510 188189611 /nfs/dbraw/zinc/18/96/11/188189611.db2.gz QTFFFFOEUILVGJ-UHFFFAOYSA-N 1 1 279.181 3.307 20 30 CGEDMO CC#CCC[N@H+](C)[C@@H](C)c1sc(CC)nc1C ZINC000155775069 188226656 /nfs/dbraw/zinc/22/66/56/188226656.db2.gz XLKQODQHLMGGSY-LBPRGKRZSA-N 1 1 250.411 3.420 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)s1 ZINC000369596582 234387541 /nfs/dbraw/zinc/38/75/41/234387541.db2.gz JLQDILJOKMZIEU-XHSDSOJGSA-N 1 1 290.432 3.135 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3ccccn3)CC2)cc1 ZINC000336379579 213233901 /nfs/dbraw/zinc/23/39/01/213233901.db2.gz BZILKERILSCDTA-UHFFFAOYSA-N 1 1 275.355 3.243 20 30 CGEDMO N#CCC[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000336216036 283052401 /nfs/dbraw/zinc/05/24/01/283052401.db2.gz XAYUUMXRPBRMHA-LLVKDONJSA-N 1 1 283.144 3.079 20 30 CGEDMO C[C@@H]1CCC(C)(C)[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000411812715 235083310 /nfs/dbraw/zinc/08/33/10/235083310.db2.gz ZNXQWDIERJAUOQ-CYBMUJFWSA-N 1 1 285.391 3.150 20 30 CGEDMO CCC[N@H+]1CC[C@H](CN[C@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000271900036 191397969 /nfs/dbraw/zinc/39/79/69/191397969.db2.gz AFMKHIPPWFFTND-ZIAGYGMSSA-N 1 1 289.398 3.080 20 30 CGEDMO CC(C)c1nnc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)[nH]1 ZINC000271878798 191385724 /nfs/dbraw/zinc/38/57/24/191385724.db2.gz OTEZBXJJHARKIH-NEPJUHHUSA-N 1 1 283.379 3.212 20 30 CGEDMO C[C@@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1cccc(C#N)c1 ZINC000271885162 191389544 /nfs/dbraw/zinc/38/95/44/191389544.db2.gz QMJZLSYTEUJDRN-ABAIWWIYSA-N 1 1 266.348 3.010 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000341758662 283193846 /nfs/dbraw/zinc/19/38/46/283193846.db2.gz AQYLZTJGSQGQKR-SCTDSRPQSA-N 1 1 295.430 3.152 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000341758662 283193849 /nfs/dbraw/zinc/19/38/49/283193849.db2.gz AQYLZTJGSQGQKR-SCTDSRPQSA-N 1 1 295.430 3.152 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c1F ZINC000334807797 283205971 /nfs/dbraw/zinc/20/59/71/283205971.db2.gz OCLCIWHFAVCOOA-DLBZAZTESA-N 1 1 296.345 3.005 20 30 CGEDMO N#Cc1cccc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c1F ZINC000334807797 283205972 /nfs/dbraw/zinc/20/59/72/283205972.db2.gz OCLCIWHFAVCOOA-DLBZAZTESA-N 1 1 296.345 3.005 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000336232904 213063737 /nfs/dbraw/zinc/06/37/37/213063737.db2.gz GYQRNNPARAVHPN-FZMZJTMJSA-N 1 1 298.308 3.008 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000336232904 213063740 /nfs/dbraw/zinc/06/37/40/213063740.db2.gz GYQRNNPARAVHPN-FZMZJTMJSA-N 1 1 298.308 3.008 20 30 CGEDMO C=CC[NH+]1CCC(N[C@@H](C)c2ccc(F)cc2F)CC1 ZINC000177906855 189078475 /nfs/dbraw/zinc/07/84/75/189078475.db2.gz DEXVYFDMYDYJJO-LBPRGKRZSA-N 1 1 280.362 3.266 20 30 CGEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2ccsc2)CC1 ZINC000177917200 189078952 /nfs/dbraw/zinc/07/89/52/189078952.db2.gz WACKLKQKZUEMCM-CYBMUJFWSA-N 1 1 264.438 3.439 20 30 CGEDMO C[C@H](c1ccccc1)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000177987089 189083543 /nfs/dbraw/zinc/08/35/43/189083543.db2.gz NNJXTVWGXYYAHQ-KDOFPFPSSA-N 1 1 280.371 3.285 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+]1CCc2sccc2C1 ZINC000179654253 189210270 /nfs/dbraw/zinc/21/02/70/189210270.db2.gz GYPWVPNSCOTHFT-UHFFFAOYSA-N 1 1 284.384 3.187 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCc2sccc2C1 ZINC000179654253 189210271 /nfs/dbraw/zinc/21/02/71/189210271.db2.gz GYPWVPNSCOTHFT-UHFFFAOYSA-N 1 1 284.384 3.187 20 30 CGEDMO Cn1cccc1[C@H]1CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000179708487 189215021 /nfs/dbraw/zinc/21/50/21/189215021.db2.gz WVLGRQPGVJLJQN-OAHLLOKOSA-N 1 1 271.389 3.295 20 30 CGEDMO N#Cc1cc(C[N@H+](Cc2ccccn2)C2CC2)ccc1F ZINC000180860163 189280461 /nfs/dbraw/zinc/28/04/61/189280461.db2.gz KDRQRMKIYQFKQA-UHFFFAOYSA-N 1 1 281.334 3.257 20 30 CGEDMO N#Cc1cc(C[N@@H+](Cc2ccccn2)C2CC2)ccc1F ZINC000180860163 189280462 /nfs/dbraw/zinc/28/04/62/189280462.db2.gz KDRQRMKIYQFKQA-UHFFFAOYSA-N 1 1 281.334 3.257 20 30 CGEDMO N#Cc1ccc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)c(F)c1 ZINC000301471607 201020742 /nfs/dbraw/zinc/02/07/42/201020742.db2.gz PMBKNFQSIUCUGQ-HNNXBMFYSA-N 1 1 287.382 3.374 20 30 CGEDMO CCc1cnc(C[NH2+][C@@H](C)c2cccc(C#N)c2)s1 ZINC000181834478 189307920 /nfs/dbraw/zinc/30/79/20/189307920.db2.gz HQMPRQHWSCVOJV-NSHDSACASA-N 1 1 271.389 3.428 20 30 CGEDMO COC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(C)o1 ZINC000181848371 189308364 /nfs/dbraw/zinc/30/83/64/189308364.db2.gz GVZCMEFRRZRBLS-BBRMVZONSA-N 1 1 284.359 3.498 20 30 CGEDMO COc1ccccc1CC[N@@H+](C)CCC(C)(C)C#N ZINC000119633390 370693642 /nfs/dbraw/zinc/69/36/42/370693642.db2.gz JFXJIGLGCFLHDY-UHFFFAOYSA-N 1 1 260.381 3.109 20 30 CGEDMO CC[N@@H+](Cc1ccc(CO)o1)[C@@H](C)c1ccc(C#N)cc1 ZINC000119867935 370717206 /nfs/dbraw/zinc/71/72/06/370717206.db2.gz CJNGJPLWCWWVIC-ZDUSSCGKSA-N 1 1 284.359 3.227 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCC1CCOCC1 ZINC000120514205 370775414 /nfs/dbraw/zinc/77/54/14/370775414.db2.gz FIIVATHUVUDFMJ-CQSZACIVSA-N 1 1 272.392 3.368 20 30 CGEDMO C[C@@]12C[N@@H+](Cc3cc(C#N)ccc3F)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451355876 240280563 /nfs/dbraw/zinc/28/05/63/240280563.db2.gz CUZJRSHZEFBURR-VKZRIFJHSA-N 1 1 282.362 3.341 20 30 CGEDMO N#Cc1ccc(C[NH+]2CCC(CF)CC2)c(OC(F)F)c1 ZINC000451389397 240292357 /nfs/dbraw/zinc/29/23/57/240292357.db2.gz SLRNXDIMXRPABY-UHFFFAOYSA-N 1 1 298.308 3.341 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451409287 240294833 /nfs/dbraw/zinc/29/48/33/240294833.db2.gz AHAXMRALNITYFI-PILAGYSTSA-N 1 1 284.403 3.245 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCSC[C@@H]2C2CC2)ccc1F ZINC000451645344 240340646 /nfs/dbraw/zinc/34/06/46/240340646.db2.gz CZGATSGDWAXHIR-OAHLLOKOSA-N 1 1 276.380 3.025 20 30 CGEDMO C#CC[C@H]([NH2+][C@@H](C)c1nccnc1C)c1ccccc1 ZINC000275865346 193150752 /nfs/dbraw/zinc/15/07/52/193150752.db2.gz NPRFYRPEGYDIGN-HOCLYGCPSA-N 1 1 265.360 3.200 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000121159523 370834916 /nfs/dbraw/zinc/83/49/16/370834916.db2.gz OMTMIHWDNSATRS-GASCZTMLSA-N 1 1 270.376 3.189 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000121208210 370839430 /nfs/dbraw/zinc/83/94/30/370839430.db2.gz TZUXYWXJYZIIIT-NWDGAFQWSA-N 1 1 280.799 3.024 20 30 CGEDMO C[C@]1(c2ccccc2)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000121232269 370842746 /nfs/dbraw/zinc/84/27/46/370842746.db2.gz UMVCWFKZMKZQAS-LJQANCHMSA-N 1 1 292.382 3.306 20 30 CGEDMO C[C@]1(c2ccccc2)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000121232269 370842750 /nfs/dbraw/zinc/84/27/50/370842750.db2.gz UMVCWFKZMKZQAS-LJQANCHMSA-N 1 1 292.382 3.306 20 30 CGEDMO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000121253770 370845351 /nfs/dbraw/zinc/84/53/51/370845351.db2.gz KWBQYMHORAUQFD-MNOVXSKESA-N 1 1 264.369 3.023 20 30 CGEDMO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000121253770 370845356 /nfs/dbraw/zinc/84/53/56/370845356.db2.gz KWBQYMHORAUQFD-MNOVXSKESA-N 1 1 264.369 3.023 20 30 CGEDMO Cn1cc(C[NH+]2CC(Cc3ccccc3Cl)C2)cc1C#N ZINC000459558145 242131526 /nfs/dbraw/zinc/13/15/26/242131526.db2.gz IGRAYQLSQLGTOR-UHFFFAOYSA-N 1 1 299.805 3.225 20 30 CGEDMO C=C[C@H](CC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccccc1 ZINC000124206043 370922022 /nfs/dbraw/zinc/92/20/22/370922022.db2.gz GWUADPXWYUGVJE-UXLLHSPISA-N 1 1 298.430 3.088 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@H](COC)C2)c1 ZINC000124729763 370926934 /nfs/dbraw/zinc/92/69/34/370926934.db2.gz WMHBIOUWMXAVSE-INIZCTEOSA-N 1 1 275.392 3.110 20 30 CGEDMO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cccc(C#N)c1 ZINC000026329188 368857063 /nfs/dbraw/zinc/85/70/63/368857063.db2.gz DHACVZBOHNWQND-UHFFFAOYSA-N 1 1 281.315 3.098 20 30 CGEDMO C[C@H]([NH2+]CCC#N)c1ccc(F)c(Br)c1 ZINC000037240316 369078744 /nfs/dbraw/zinc/07/87/44/369078744.db2.gz PFQKPJBZKRJZIV-QMMMGPOBSA-N 1 1 271.133 3.152 20 30 CGEDMO CC[N@@H+](Cc1ccc(Br)cc1)C[C@@H](C)C#N ZINC000044373668 369261363 /nfs/dbraw/zinc/26/13/63/369261363.db2.gz JUPVRYVAKRJMCV-NSHDSACASA-N 1 1 281.197 3.431 20 30 CGEDMO CC[N@H+](Cc1ccc(Br)cc1)C[C@@H](C)C#N ZINC000044373668 369261366 /nfs/dbraw/zinc/26/13/66/369261366.db2.gz JUPVRYVAKRJMCV-NSHDSACASA-N 1 1 281.197 3.431 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(F)c(F)c1 ZINC000044438295 369262210 /nfs/dbraw/zinc/26/22/10/369262210.db2.gz NWWRMCAXHKJXRZ-UHFFFAOYSA-N 1 1 272.298 3.468 20 30 CGEDMO CC[N@H+](CCCC(=O)c1ccccc1)C[C@H](C)C#N ZINC000050153275 369430825 /nfs/dbraw/zinc/43/08/25/369430825.db2.gz GIBAQOZLLKUBBO-CQSZACIVSA-N 1 1 258.365 3.131 20 30 CGEDMO CC[N@@H+](CCCC(=O)c1ccccc1)C[C@H](C)C#N ZINC000050153275 369430828 /nfs/dbraw/zinc/43/08/28/369430828.db2.gz GIBAQOZLLKUBBO-CQSZACIVSA-N 1 1 258.365 3.131 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(Oc2cnccn2)cc1 ZINC000276207808 193243384 /nfs/dbraw/zinc/24/33/84/193243384.db2.gz ZRGLXDJMIVPRRU-UHFFFAOYSA-N 1 1 269.348 3.277 20 30 CGEDMO CCC[N@@H+](CCc1cnn(CC)c1)Cc1ccc(C#N)cc1 ZINC000276341916 193293307 /nfs/dbraw/zinc/29/33/07/193293307.db2.gz UCEAEZIWJFDBHP-UHFFFAOYSA-N 1 1 296.418 3.229 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)Nc1sc(C)c(C)c1C ZINC000276381390 193309059 /nfs/dbraw/zinc/30/90/59/193309059.db2.gz IFYPATXAKJUIEH-UHFFFAOYSA-N 1 1 266.410 3.120 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(SC(=O)N(C)C)cc1 ZINC000276509965 193361526 /nfs/dbraw/zinc/36/15/26/193361526.db2.gz XKYOVHSSZWENGC-UHFFFAOYSA-N 1 1 278.421 3.468 20 30 CGEDMO CCC(C)(C)[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000072633237 369831643 /nfs/dbraw/zinc/83/16/43/369831643.db2.gz CKOAXASSFYIAFY-UHFFFAOYSA-N 1 1 284.363 3.229 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1nc(C)c2ccccc2n1 ZINC000073879900 369867284 /nfs/dbraw/zinc/86/72/84/369867284.db2.gz VPUAHGKYKXGMFS-UHFFFAOYSA-N 1 1 255.365 3.336 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1nc(C)c2ccccc2n1 ZINC000073879900 369867288 /nfs/dbraw/zinc/86/72/88/369867288.db2.gz VPUAHGKYKXGMFS-UHFFFAOYSA-N 1 1 255.365 3.336 20 30 CGEDMO C[N@H+](CCCCC#N)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000076110142 369930945 /nfs/dbraw/zinc/93/09/45/369930945.db2.gz ABRDNZHYCOVYCF-GOSISDBHSA-N 1 1 285.435 3.134 20 30 CGEDMO C[N@@H+](CCCCC#N)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000076110142 369930947 /nfs/dbraw/zinc/93/09/47/369930947.db2.gz ABRDNZHYCOVYCF-GOSISDBHSA-N 1 1 285.435 3.134 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)N(c1ccccc1)C(C)C ZINC000076734948 369941596 /nfs/dbraw/zinc/94/15/96/369941596.db2.gz MGILMGIOMIHZMH-UHFFFAOYSA-N 1 1 274.408 3.326 20 30 CGEDMO C=CCCC[N@H+](C)CCC(=O)Nc1cccc(F)c1 ZINC000076733674 369942013 /nfs/dbraw/zinc/94/20/13/369942013.db2.gz MARUZLDTVRNTMV-UHFFFAOYSA-N 1 1 264.344 3.052 20 30 CGEDMO N#CCCCC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000077381979 369946854 /nfs/dbraw/zinc/94/68/54/369946854.db2.gz IUAZFDLAEUZOFV-AWEZNQCLSA-N 1 1 272.348 3.246 20 30 CGEDMO CC[C@H](C)C[N@@H+](CC)Cc1ccc(OC)c(C#N)c1 ZINC000093251007 370113643 /nfs/dbraw/zinc/11/36/43/370113643.db2.gz IFDJUZQCPXBGBG-ZDUSSCGKSA-N 1 1 260.381 3.435 20 30 CGEDMO C[C@@H]1C[C@@H](N[C@@H](CCC#N)c2ccccc2)C[N@@H+]1C1CC1 ZINC000090665833 370063647 /nfs/dbraw/zinc/06/36/47/370063647.db2.gz HKYXBIGXNVAWJD-KYJSFNMBSA-N 1 1 283.419 3.246 20 30 CGEDMO C[C@@H]1C[C@@H](N[C@@H](CCC#N)c2ccccc2)C[N@H+]1C1CC1 ZINC000090665833 370063651 /nfs/dbraw/zinc/06/36/51/370063651.db2.gz HKYXBIGXNVAWJD-KYJSFNMBSA-N 1 1 283.419 3.246 20 30 CGEDMO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1cnn(C)c1 ZINC000090664968 370063888 /nfs/dbraw/zinc/06/38/88/370063888.db2.gz RAGKQYFNGMVSII-CZUORRHYSA-N 1 1 268.364 3.116 20 30 CGEDMO C=CCOc1ccc(CN(C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000092253370 370094929 /nfs/dbraw/zinc/09/49/29/370094929.db2.gz LYZNAGIXRWPFHN-QGZVFWFLSA-N 1 1 288.435 3.025 20 30 CGEDMO C=CCOc1ccc(CN(C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000092253370 370094935 /nfs/dbraw/zinc/09/49/35/370094935.db2.gz LYZNAGIXRWPFHN-QGZVFWFLSA-N 1 1 288.435 3.025 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)C[C@@H]2CCCN(C)C2)cc1 ZINC000092253370 370094942 /nfs/dbraw/zinc/09/49/42/370094942.db2.gz LYZNAGIXRWPFHN-QGZVFWFLSA-N 1 1 288.435 3.025 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)C[C@@H]2CCCN(C)C2)cc1 ZINC000092253370 370094944 /nfs/dbraw/zinc/09/49/44/370094944.db2.gz LYZNAGIXRWPFHN-QGZVFWFLSA-N 1 1 288.435 3.025 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCCC[C@@H](N2CCCC2)C1 ZINC000092785916 370099880 /nfs/dbraw/zinc/09/98/80/370099880.db2.gz PHEHGCFBMHLFLO-MRXNPFEDSA-N 1 1 277.456 3.267 20 30 CGEDMO CC(C)(CCC#N)CN1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000092785916 370099887 /nfs/dbraw/zinc/09/98/87/370099887.db2.gz PHEHGCFBMHLFLO-MRXNPFEDSA-N 1 1 277.456 3.267 20 30 CGEDMO C#CC[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)C1CCCC1 ZINC000093819756 370161613 /nfs/dbraw/zinc/16/16/13/370161613.db2.gz ISBDWZFEBLTXER-OAHLLOKOSA-N 1 1 282.387 3.355 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000098068898 370262762 /nfs/dbraw/zinc/26/27/62/370262762.db2.gz OTRBHKZBPGUMSK-UHFFFAOYSA-N 1 1 284.762 3.316 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000098068898 370262766 /nfs/dbraw/zinc/26/27/66/370262766.db2.gz OTRBHKZBPGUMSK-UHFFFAOYSA-N 1 1 284.762 3.316 20 30 CGEDMO CC1(C)CCC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000112703170 370444510 /nfs/dbraw/zinc/44/45/10/370444510.db2.gz WXYXLXLNRSLBOF-UHFFFAOYSA-N 1 1 299.418 3.055 20 30 CGEDMO C[C@]1(c2ccccc2)CCC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000113517974 370475994 /nfs/dbraw/zinc/47/59/94/370475994.db2.gz BHLALPREYDNGTH-WMZOPIPTSA-N 1 1 281.403 3.484 20 30 CGEDMO C[C@]1(c2ccccc2)CCC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000113517974 370475995 /nfs/dbraw/zinc/47/59/95/370475995.db2.gz BHLALPREYDNGTH-WMZOPIPTSA-N 1 1 281.403 3.484 20 30 CGEDMO C=CC[N@H+](CC(=O)N1CCCC[C@@H]1C)CC1CCCCC1 ZINC000112607379 370437219 /nfs/dbraw/zinc/43/72/19/370437219.db2.gz PUJPQYZVJLNQJA-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000118396730 370613428 /nfs/dbraw/zinc/61/34/28/370613428.db2.gz JCJWAJJRSAEHNX-YOEHRIQHSA-N 1 1 280.375 3.153 20 30 CGEDMO CC[C@@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1OC ZINC000130396450 371029825 /nfs/dbraw/zinc/02/98/25/371029825.db2.gz XDNUTHWSNUUICP-OAHLLOKOSA-N 1 1 258.365 3.331 20 30 CGEDMO C=CCOc1ccccc1C[N@H+](C)[C@H]1CCSC1 ZINC000130548436 371042998 /nfs/dbraw/zinc/04/29/98/371042998.db2.gz DAIFQNXUIYLDNB-AWEZNQCLSA-N 1 1 263.406 3.189 20 30 CGEDMO C=CCc1cc(C[N@H+]2CCS[C@H](C)C2)cc(OC)c1O ZINC000131346886 371101211 /nfs/dbraw/zinc/10/12/11/371101211.db2.gz GTVPMQXWMGCQNV-GFCCVEGCSA-N 1 1 293.432 3.067 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](CC)C[C@@H]2CCCO2)c1 ZINC000131778873 371129847 /nfs/dbraw/zinc/12/98/47/371129847.db2.gz KLFSQVPJBMYCAU-KRWDZBQOSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000132394810 371172383 /nfs/dbraw/zinc/17/23/83/371172383.db2.gz FZQMFNQYOSNMLI-OAHLLOKOSA-N 1 1 261.365 3.417 20 30 CGEDMO CC[C@H]1CCCCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000134725129 371361644 /nfs/dbraw/zinc/36/16/44/371361644.db2.gz GNGJETDCLLAIIH-INIZCTEOSA-N 1 1 285.391 3.151 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134770700 371362955 /nfs/dbraw/zinc/36/29/55/371362955.db2.gz WHEJLOCKXSADDW-HOTGVXAUSA-N 1 1 263.356 3.290 20 30 CGEDMO CC(C)COCC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000337307489 376206148 /nfs/dbraw/zinc/20/61/48/376206148.db2.gz WORDQTZXOALTAX-UHFFFAOYSA-N 1 1 284.403 3.320 20 30 CGEDMO COc1ccc(C[N@H+]2CCCC[C@@H](SC)C2)cc1C#N ZINC000135216034 371401655 /nfs/dbraw/zinc/40/16/55/371401655.db2.gz YRKILPDYISEAPH-OAHLLOKOSA-N 1 1 290.432 3.284 20 30 CGEDMO N#Cc1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134897030 371371637 /nfs/dbraw/zinc/37/16/37/371371637.db2.gz RMNNTDWIGOOMHV-MJGOQNOKSA-N 1 1 295.430 3.007 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)cc1 ZINC000134897030 371371665 /nfs/dbraw/zinc/37/16/65/371371665.db2.gz RMNNTDWIGOOMHV-MJGOQNOKSA-N 1 1 295.430 3.007 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)cc1 ZINC000134897030 371371669 /nfs/dbraw/zinc/37/16/69/371371669.db2.gz RMNNTDWIGOOMHV-MJGOQNOKSA-N 1 1 295.430 3.007 20 30 CGEDMO Cc1ccc(C#N)c(N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000286528763 371514057 /nfs/dbraw/zinc/51/40/57/371514057.db2.gz CIPXZOFJFXIKSY-GDBMZVCRSA-N 1 1 298.434 3.327 20 30 CGEDMO C=CCCC[N@@H+]1CCn2c(C3CCCC3)nnc2[C@H]1C ZINC000286724037 371545068 /nfs/dbraw/zinc/54/50/68/371545068.db2.gz BGJKIQYCYKFDKF-CYBMUJFWSA-N 1 1 274.412 3.279 20 30 CGEDMO C=CCCC[N@H+]1CCn2c(C3CCCC3)nnc2[C@H]1C ZINC000286724037 371545073 /nfs/dbraw/zinc/54/50/73/371545073.db2.gz BGJKIQYCYKFDKF-CYBMUJFWSA-N 1 1 274.412 3.279 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000287704659 371696788 /nfs/dbraw/zinc/69/67/88/371696788.db2.gz JIPSQPHNHOTUEY-QGZVFWFLSA-N 1 1 274.408 3.419 20 30 CGEDMO CCC[C@]1(CO)CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000288933706 371747265 /nfs/dbraw/zinc/74/72/65/371747265.db2.gz WEFYMGJOXONGNW-KRWDZBQOSA-N 1 1 291.822 3.176 20 30 CGEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)CC(C)(C)C1 ZINC000344040583 217022799 /nfs/dbraw/zinc/02/27/99/217022799.db2.gz VNNZUXMJBHCJQT-AWEZNQCLSA-N 1 1 299.418 3.255 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000344084626 217043407 /nfs/dbraw/zinc/04/34/07/217043407.db2.gz GIUHBTJCUOGMFG-CYBMUJFWSA-N 1 1 258.340 3.319 20 30 CGEDMO C=CC[N@H+](C)Cc1ccccc1OCc1ccccn1 ZINC000154788759 371878556 /nfs/dbraw/zinc/87/85/56/371878556.db2.gz FBJMXRWQPLKMCE-UHFFFAOYSA-N 1 1 268.360 3.278 20 30 CGEDMO C=CC[N@H+](C)Cc1ccccc1OCc1cccnc1 ZINC000154786398 371879341 /nfs/dbraw/zinc/87/93/41/371879341.db2.gz RFOPTKWMRADRAU-UHFFFAOYSA-N 1 1 268.360 3.278 20 30 CGEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)o2)cc1 ZINC000155157921 371909848 /nfs/dbraw/zinc/90/98/48/371909848.db2.gz FREIPEFTMLIXNH-KRWDZBQOSA-N 1 1 282.343 3.497 20 30 CGEDMO C=CCC[C@H](CC)[NH2+][C@H](C)c1noc(COCC)n1 ZINC000290178960 371924882 /nfs/dbraw/zinc/92/48/82/371924882.db2.gz NJEWXGIXGARWBX-NEPJUHHUSA-N 1 1 267.373 3.002 20 30 CGEDMO CC[N@@H+](Cc1cc(C#N)ccc1OC)[C@@H](C)C(C)C ZINC000156375329 371976614 /nfs/dbraw/zinc/97/66/14/371976614.db2.gz COSVWRAXMWTZSP-ZDUSSCGKSA-N 1 1 260.381 3.433 20 30 CGEDMO C[C@@H](O)C[N@@H+](Cc1ccc(C#N)s1)C1CCCCC1 ZINC000130708674 296180688 /nfs/dbraw/zinc/18/06/88/296180688.db2.gz BFCUOXUNXUYSSC-GFCCVEGCSA-N 1 1 278.421 3.135 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)[C@H](C)C2CC2)cc1OC ZINC000158072100 372049828 /nfs/dbraw/zinc/04/98/28/372049828.db2.gz PMOXDVLNIQWWEQ-CYBMUJFWSA-N 1 1 275.392 3.490 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(F)cc1)CC1(O)CCCCCC1 ZINC000426225541 372151101 /nfs/dbraw/zinc/15/11/01/372151101.db2.gz JJUMGOKAMYXJKC-UHFFFAOYSA-N 1 1 289.394 3.194 20 30 CGEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@@H]1CCCC[C@H]1O ZINC000426206272 372151158 /nfs/dbraw/zinc/15/11/58/372151158.db2.gz ZHFZNPNVYDMTFP-IAGOWNOFSA-N 1 1 286.419 3.223 20 30 CGEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC(C)(C)COC ZINC000426394137 372156351 /nfs/dbraw/zinc/15/63/51/372156351.db2.gz CUMLOGAMDOEEFV-UHFFFAOYSA-N 1 1 292.379 3.255 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(Cl)cc1)C[C@H]1CCCCO1 ZINC000426414009 372156864 /nfs/dbraw/zinc/15/68/64/372156864.db2.gz AFAYSLPBPUOBAM-MRXNPFEDSA-N 1 1 277.795 3.192 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cnc2ccc(C)cn12 ZINC000426567830 372165366 /nfs/dbraw/zinc/16/53/66/372165366.db2.gz MIWIYBGUSSBUBW-CQSZACIVSA-N 1 1 255.365 3.183 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cccc(OCCOC)c1 ZINC000426570848 372165437 /nfs/dbraw/zinc/16/54/37/372165437.db2.gz PIOVEXPPQHXCAI-MRXNPFEDSA-N 1 1 275.392 3.252 20 30 CGEDMO Cc1cc(CN2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)ccc1C#N ZINC000429009738 372303946 /nfs/dbraw/zinc/30/39/46/372303946.db2.gz OWSAKTFXFPBBCT-URLQWDBASA-N 1 1 297.446 3.029 20 30 CGEDMO CCOC(=O)C(CC)(CC)[NH2+]CCCC(C)(C)C#N ZINC000429270953 372333310 /nfs/dbraw/zinc/33/33/10/372333310.db2.gz HZOUJWDDJRGYQG-UHFFFAOYSA-N 1 1 268.401 3.028 20 30 CGEDMO CSC[C@@H]1CCC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000429280383 372335168 /nfs/dbraw/zinc/33/51/68/372335168.db2.gz PLTXHSQIWXWZCG-GFCCVEGCSA-N 1 1 278.396 3.272 20 30 CGEDMO CSC[C@@H]1CCC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000429280383 372335175 /nfs/dbraw/zinc/33/51/75/372335175.db2.gz PLTXHSQIWXWZCG-GFCCVEGCSA-N 1 1 278.396 3.272 20 30 CGEDMO CC#CCC[N@@H+](C)Cc1cc(OC)ccc1Br ZINC000429313816 372350582 /nfs/dbraw/zinc/35/05/82/372350582.db2.gz VOZQWLFLSVDVDF-UHFFFAOYSA-N 1 1 296.208 3.303 20 30 CGEDMO CC#CCC[N@H+](C)Cc1cc(OC)ccc1Br ZINC000429313816 372350590 /nfs/dbraw/zinc/35/05/90/372350590.db2.gz VOZQWLFLSVDVDF-UHFFFAOYSA-N 1 1 296.208 3.303 20 30 CGEDMO C=CC[N@H+](CCC(=O)Nc1ccc(Cl)cc1)C1CC1 ZINC000429336489 372352767 /nfs/dbraw/zinc/35/27/67/372352767.db2.gz VOXKUQKWFITOFH-UHFFFAOYSA-N 1 1 278.783 3.319 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)[C@@H](C)c1nc2ccccc2o1 ZINC000429727556 372377836 /nfs/dbraw/zinc/37/78/36/372377836.db2.gz VIBWNHFHXKBBBA-AWEZNQCLSA-N 1 1 287.407 3.329 20 30 CGEDMO C=CCC[C@@H]([NH2+]Cc1snnc1C)c1ccco1 ZINC000293720377 372461781 /nfs/dbraw/zinc/46/17/81/372461781.db2.gz PMLSGTXNVOXNSL-LLVKDONJSA-N 1 1 263.366 3.237 20 30 CGEDMO Cc1ccc(CCC[N@H+](C)Cc2cccc(C#N)c2)cn1 ZINC000353377777 220051305 /nfs/dbraw/zinc/05/13/05/220051305.db2.gz FLTNWAXXARHVFC-UHFFFAOYSA-N 1 1 279.387 3.326 20 30 CGEDMO Cc1ccncc1C[N@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000353378425 220052565 /nfs/dbraw/zinc/05/25/65/220052565.db2.gz GOYGCOFDIDKXAQ-AWEZNQCLSA-N 1 1 265.360 3.455 20 30 CGEDMO C#CC[N@@H+](C)CCCN[C@H](C)c1sc(C(C)C)nc1C ZINC000294898605 372676047 /nfs/dbraw/zinc/67/60/47/372676047.db2.gz FJPIIVHSYCVQQQ-CYBMUJFWSA-N 1 1 293.480 3.181 20 30 CGEDMO C#CC[N@H+](C)CCCN[C@H](C)c1sc(C(C)C)nc1C ZINC000294898605 372676055 /nfs/dbraw/zinc/67/60/55/372676055.db2.gz FJPIIVHSYCVQQQ-CYBMUJFWSA-N 1 1 293.480 3.181 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1cccnc1 ZINC000171146623 372720874 /nfs/dbraw/zinc/72/08/74/372720874.db2.gz NNELGLVKWLHGQK-UHFFFAOYSA-N 1 1 265.360 3.364 20 30 CGEDMO CC(C)OCCC[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000438063204 372867934 /nfs/dbraw/zinc/86/79/34/372867934.db2.gz YYBKDYMTKMTSAS-UHFFFAOYSA-N 1 1 279.811 3.438 20 30 CGEDMO C[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)CCS1 ZINC000177120889 261335358 /nfs/dbraw/zinc/33/53/58/261335358.db2.gz KAWPJYJSHLCBLR-GFCCVEGCSA-N 1 1 265.809 3.129 20 30 CGEDMO C[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)CCS1 ZINC000177120889 261335360 /nfs/dbraw/zinc/33/53/60/261335360.db2.gz KAWPJYJSHLCBLR-GFCCVEGCSA-N 1 1 265.809 3.129 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@H](C(C)C)C2)cc1C#N ZINC000438326670 372926005 /nfs/dbraw/zinc/92/60/05/372926005.db2.gz JOWXAMCNKXAJTQ-HNNXBMFYSA-N 1 1 272.392 3.435 20 30 CGEDMO Clc1cccc(C#CC[N@H+]2CCC[C@H]3COCC[C@H]32)c1 ZINC000438517177 372968638 /nfs/dbraw/zinc/96/86/38/372968638.db2.gz XZTGLXUYTSERPE-DOTOQJQBSA-N 1 1 289.806 3.192 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1C[C@H](c2ccccc2)C(C)(C)C1 ZINC000441092710 372997165 /nfs/dbraw/zinc/99/71/65/372997165.db2.gz WTCXBDWXDDWGLC-DLBZAZTESA-N 1 1 273.420 3.439 20 30 CGEDMO C=CC[N@@H+]1CCN(Cc2ccc(C)nc2)C[C@H]1[C@@H](C)CC ZINC000441176511 372998541 /nfs/dbraw/zinc/99/85/41/372998541.db2.gz MCHSPNDDQXFLRI-YJBOKZPZSA-N 1 1 287.451 3.108 20 30 CGEDMO CO[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)[C@@H](C)C1 ZINC000441343752 373003795 /nfs/dbraw/zinc/00/37/95/373003795.db2.gz GYUJPNMFKCUFKC-DZGCQCFKSA-N 1 1 277.795 3.191 20 30 CGEDMO CO[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)[C@@H](C)C1 ZINC000441343752 373003804 /nfs/dbraw/zinc/00/38/04/373003804.db2.gz GYUJPNMFKCUFKC-DZGCQCFKSA-N 1 1 277.795 3.191 20 30 CGEDMO CCn1ccnc1[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000296098180 373020922 /nfs/dbraw/zinc/02/09/22/373020922.db2.gz UEQDKEGWPCUWJG-OLZOCXBDSA-N 1 1 268.364 3.186 20 30 CGEDMO C=CC[C@@H]1[N@H+](Cc2cnns2)CCCC1(C)C ZINC000296102366 373023788 /nfs/dbraw/zinc/02/37/88/373023788.db2.gz UQGMMXMPTUGIEM-LBPRGKRZSA-N 1 1 251.399 3.105 20 30 CGEDMO CS[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000296245318 373066446 /nfs/dbraw/zinc/06/64/46/373066446.db2.gz LFYMOJBYEFIAGS-CYBMUJFWSA-N 1 1 266.797 3.149 20 30 CGEDMO CS[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000296245318 373066452 /nfs/dbraw/zinc/06/64/52/373066452.db2.gz LFYMOJBYEFIAGS-CYBMUJFWSA-N 1 1 266.797 3.149 20 30 CGEDMO CC(C)[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)N1CCCCCC1 ZINC000442722689 373070578 /nfs/dbraw/zinc/07/05/78/373070578.db2.gz VXYIVJUHERKWER-ZACQAIPSSA-N 1 1 277.456 3.169 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)Cc1ncc(C)o1 ZINC000173581410 373160200 /nfs/dbraw/zinc/16/02/00/373160200.db2.gz VQYMZFRLBYBMNL-UHFFFAOYSA-N 1 1 256.349 3.214 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1ncc(C)o1 ZINC000173581410 373160207 /nfs/dbraw/zinc/16/02/07/373160207.db2.gz VQYMZFRLBYBMNL-UHFFFAOYSA-N 1 1 256.349 3.214 20 30 CGEDMO Cc1cc(CNC[C@H](C)[N@@H+]2CCCC[C@H]2C)ccc1C#N ZINC000443974775 373163918 /nfs/dbraw/zinc/16/39/18/373163918.db2.gz WFQKOZFTUBNSAI-CVEARBPZSA-N 1 1 285.435 3.219 20 30 CGEDMO Cc1cc(CNC[C@H](C)[N@H+]2CCCC[C@H]2C)ccc1C#N ZINC000443974775 373163927 /nfs/dbraw/zinc/16/39/27/373163927.db2.gz WFQKOZFTUBNSAI-CVEARBPZSA-N 1 1 285.435 3.219 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCc1ccccc1O ZINC000442902592 373125421 /nfs/dbraw/zinc/12/54/21/373125421.db2.gz WMXPPPVRJCGLCM-CQSZACIVSA-N 1 1 280.371 3.499 20 30 CGEDMO Cc1ccc(C)c([C@@H]2C[N@H+](CCCC#N)[C@H](C)CO2)c1 ZINC000173883529 373208811 /nfs/dbraw/zinc/20/88/11/373208811.db2.gz LFJNRHKBLNDEQX-WBVHZDCISA-N 1 1 272.392 3.369 20 30 CGEDMO Cc1ccc(C)c([C@@H]2C[N@@H+](CCCC#N)[C@H](C)CO2)c1 ZINC000173883529 373208824 /nfs/dbraw/zinc/20/88/24/373208824.db2.gz LFJNRHKBLNDEQX-WBVHZDCISA-N 1 1 272.392 3.369 20 30 CGEDMO CCN1C[C@H](C)[N@@H+](CCCCC(C)(C)C#N)C[C@H]1C ZINC000444670934 373230244 /nfs/dbraw/zinc/23/02/44/373230244.db2.gz BTNNBVHTCOEQCI-CABCVRRESA-N 1 1 265.445 3.121 20 30 CGEDMO CC[N@@H+]1C[C@H](C)N(CCCCC(C)(C)C#N)C[C@H]1C ZINC000444670934 373230249 /nfs/dbraw/zinc/23/02/49/373230249.db2.gz BTNNBVHTCOEQCI-CABCVRRESA-N 1 1 265.445 3.121 20 30 CGEDMO CC[N@H+]1C[C@H](C)N(CCCCC(C)(C)C#N)C[C@H]1C ZINC000444670934 373230252 /nfs/dbraw/zinc/23/02/52/373230252.db2.gz BTNNBVHTCOEQCI-CABCVRRESA-N 1 1 265.445 3.121 20 30 CGEDMO COC(=O)[C@H](C)[N@@H+](CCCCC(C)(C)C#N)C1CCC1 ZINC000444710694 373247988 /nfs/dbraw/zinc/24/79/88/373247988.db2.gz VZWYDFVIWZBKSE-ZDUSSCGKSA-N 1 1 280.412 3.122 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2cnn(C)c2C)CCCC1(C)C ZINC000444795116 373278660 /nfs/dbraw/zinc/27/86/60/373278660.db2.gz XCDPLWRSTBARLI-HNNXBMFYSA-N 1 1 261.413 3.295 20 30 CGEDMO CCc1ccc([C@@H](COC)[NH2+]Cc2cccc(C#N)c2)o1 ZINC000174482256 373324800 /nfs/dbraw/zinc/32/48/00/373324800.db2.gz BWEIFKCZVIQDOV-MRXNPFEDSA-N 1 1 284.359 3.191 20 30 CGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC2(CCCC2)C1 ZINC000174272820 373280973 /nfs/dbraw/zinc/28/09/73/373280973.db2.gz HLGSZFUPJIAOAH-AWEZNQCLSA-N 1 1 297.402 3.151 20 30 CGEDMO N#Cc1ccc(S[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000298454465 373332247 /nfs/dbraw/zinc/33/22/47/373332247.db2.gz SMIUPGMGZMXJLJ-MRXNPFEDSA-N 1 1 295.411 3.320 20 30 CGEDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1cccc(C#N)c1F ZINC000447401935 373436077 /nfs/dbraw/zinc/43/60/77/373436077.db2.gz DQUOKXXOTWTZEU-KRWDZBQOSA-N 1 1 290.382 3.478 20 30 CGEDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNc1ccc(F)cc1C#N ZINC000447803654 373493430 /nfs/dbraw/zinc/49/34/30/373493430.db2.gz BDHMHEXYIKBZCM-HNNXBMFYSA-N 1 1 275.371 3.230 20 30 CGEDMO C=CCCCNC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000447956746 373530046 /nfs/dbraw/zinc/53/00/46/373530046.db2.gz WJBLSMUDCQDAMV-OAHLLOKOSA-N 1 1 295.471 3.152 20 30 CGEDMO C[C@H](CNc1ccc(C#N)cc1F)[N@H+]1CCC[C@H](C)C1 ZINC000301153024 373676840 /nfs/dbraw/zinc/67/68/40/373676840.db2.gz QAGPEQMXBPQPIP-QWHCGFSZSA-N 1 1 275.371 3.230 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000449687650 373840237 /nfs/dbraw/zinc/84/02/37/373840237.db2.gz QPQATWVWBHSUFD-SFHVURJKSA-N 1 1 287.403 3.254 20 30 CGEDMO C[C@H]1CCC[N@H+](C(C)(C)CNc2c(C#N)cccc2C#N)C1 ZINC000302888873 373999734 /nfs/dbraw/zinc/99/97/34/373999734.db2.gz OSUCHLGWNMKYCE-AWEZNQCLSA-N 1 1 296.418 3.352 20 30 CGEDMO C[C@H](c1ccccc1)[C@@H](O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000450224906 374008129 /nfs/dbraw/zinc/00/81/29/374008129.db2.gz DQVYHGATVDVWPG-BEFAXECRSA-N 1 1 294.398 3.155 20 30 CGEDMO C[C@H](c1ccccc1)[C@H](O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000450224907 374008279 /nfs/dbraw/zinc/00/82/79/374008279.db2.gz DQVYHGATVDVWPG-DNVCBOLYSA-N 1 1 294.398 3.155 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@@H](C[N@H+](C)CCC)C2)CCCC1 ZINC000449992305 373980207 /nfs/dbraw/zinc/98/02/07/373980207.db2.gz XTWPJNAMQQUVEQ-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C[N@H+]1CCN(Cc2ccc(C#N)s2)C2(CCCCC2)C1 ZINC000180253370 373983175 /nfs/dbraw/zinc/98/31/75/373983175.db2.gz JUVFZWCXRWYDHK-UHFFFAOYSA-N 1 1 289.448 3.070 20 30 CGEDMO C[C@H]1[C@H](Nc2cccc(Cl)c2C#N)CCC[N@H+]1C ZINC000450434199 374127256 /nfs/dbraw/zinc/12/72/56/374127256.db2.gz GCEYGPGGFPNIPW-GXFFZTMASA-N 1 1 263.772 3.106 20 30 CGEDMO CC(C)C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000307783991 374152588 /nfs/dbraw/zinc/15/25/88/374152588.db2.gz XCXCGHHVVLSXEX-GDBMZVCRSA-N 1 1 299.418 3.253 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](CC(C)C)C1 ZINC000307784167 374153142 /nfs/dbraw/zinc/15/31/42/374153142.db2.gz XUSOYFNVNCIDCC-OAHLLOKOSA-N 1 1 272.392 3.435 20 30 CGEDMO CCO[C@@H]1C[C@H]([N@@H+](C)CC2(C#N)CCC2)C12CCCC2 ZINC000450571799 374161912 /nfs/dbraw/zinc/16/19/12/374161912.db2.gz SNGNTIBGARLLDN-LSDHHAIUSA-N 1 1 276.424 3.350 20 30 CGEDMO Cc1cc(NCCC[N@H+](C)C2CCCCC2)cc(C#N)n1 ZINC000308274062 374162260 /nfs/dbraw/zinc/16/22/60/374162260.db2.gz BOCPONXRFFGEKG-UHFFFAOYSA-N 1 1 286.423 3.328 20 30 CGEDMO CCN(CC1(C#N)CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000450747595 374176665 /nfs/dbraw/zinc/17/66/65/374176665.db2.gz PHYCAEGAPHYOLB-GOSISDBHSA-N 1 1 297.446 3.277 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CC1)c1ccc(Br)cc1 ZINC000309571470 374188216 /nfs/dbraw/zinc/18/82/16/374188216.db2.gz NTDBNPSGUMYGDV-JTQLQIEISA-N 1 1 279.181 3.403 20 30 CGEDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc(C#N)c1 ZINC000315503903 374328685 /nfs/dbraw/zinc/32/86/85/374328685.db2.gz CSKPAUCTBSWEQG-UHFFFAOYSA-N 1 1 295.342 3.141 20 30 CGEDMO C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000319729880 374347848 /nfs/dbraw/zinc/34/78/48/374347848.db2.gz WJQBSWWRHHBROR-KFWWJZLASA-N 1 1 299.418 3.253 20 30 CGEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC12CCC2 ZINC000329784968 374430233 /nfs/dbraw/zinc/43/02/33/374430233.db2.gz PQXNXIBLAZHIKA-UHFFFAOYSA-N 1 1 275.377 3.226 20 30 CGEDMO C[C@@H](C#N)C[NH2+]Cc1ccc(OC(F)F)c(Cl)c1 ZINC000183819272 374461566 /nfs/dbraw/zinc/46/15/66/374461566.db2.gz MFOYKCGHGFZILH-QMMMGPOBSA-N 1 1 274.698 3.191 20 30 CGEDMO N#CC1CC[NH+](C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000334404010 374719915 /nfs/dbraw/zinc/71/99/15/374719915.db2.gz GQYGEVMUAKWKSZ-OWOJBTEDSA-N 1 1 262.303 3.214 20 30 CGEDMO N#C[C@H]1CCC[C@@H](N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000185752537 374729829 /nfs/dbraw/zinc/72/98/29/374729829.db2.gz JOVBJMINIJTDKI-UHOSZYNNSA-N 1 1 297.446 3.495 20 30 CGEDMO CC1(C)C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@@H]2CCC[C@H]21 ZINC000459493707 374809327 /nfs/dbraw/zinc/80/93/27/374809327.db2.gz ZZHMUTJCRHQGHA-GDBMZVCRSA-N 1 1 299.374 3.477 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1F)[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000334531259 374826971 /nfs/dbraw/zinc/82/69/71/374826971.db2.gz QYZBSYRYLJGOLI-SUMWQHHRSA-N 1 1 288.366 3.261 20 30 CGEDMO C=CCC1(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CCCC1 ZINC000334565657 374865294 /nfs/dbraw/zinc/86/52/94/374865294.db2.gz QBTCRSRZQUNYMG-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO N#CC1(CC[N@H+]2CCS[C@H]3COCC[C@@H]32)CCCCC1 ZINC000334562565 374861638 /nfs/dbraw/zinc/86/16/38/374861638.db2.gz MZQCRBKNIPQMHP-GJZGRUSLSA-N 1 1 294.464 3.057 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@H+](CCO)C1CCCCC1 ZINC000187309851 375001994 /nfs/dbraw/zinc/00/19/94/375001994.db2.gz YOOXAHFWBGMXBS-UHFFFAOYSA-N 1 1 292.810 3.339 20 30 CGEDMO C=CCCCN1CC[N@H+](CCCC=C)CC1(C)C ZINC000478031456 375146969 /nfs/dbraw/zinc/14/69/69/375146969.db2.gz ZUTDLPRJBOQMRR-UHFFFAOYSA-N 1 1 250.430 3.315 20 30 CGEDMO C=CCCCN1CC[N@H+](CCCC=C)C(C)(C)C1 ZINC000478031456 375146980 /nfs/dbraw/zinc/14/69/80/375146980.db2.gz ZUTDLPRJBOQMRR-UHFFFAOYSA-N 1 1 250.430 3.315 20 30 CGEDMO C=CCCCN1CC[N@@H+](CCCC=C)C(C)(C)C1 ZINC000478031456 375146985 /nfs/dbraw/zinc/14/69/85/375146985.db2.gz ZUTDLPRJBOQMRR-UHFFFAOYSA-N 1 1 250.430 3.315 20 30 CGEDMO C[N@@H+](CC#Cc1ccccc1Cl)C[C@@H]1CCCC[C@@H]1O ZINC000481348056 375163869 /nfs/dbraw/zinc/16/38/69/375163869.db2.gz MXVDJMZCOBUIIX-RDJZCZTQSA-N 1 1 291.822 3.174 20 30 CGEDMO C[C@H](CO)[N@@H+](CC#Cc1ccc(Cl)cc1)CC1CCC1 ZINC000483154845 375175477 /nfs/dbraw/zinc/17/54/77/375175477.db2.gz VSVFTCNHZCWOON-CQSZACIVSA-N 1 1 291.822 3.174 20 30 CGEDMO CC1(C)C[N@H+](CC#Cc2ccccc2)CC2(CCCC2)O1 ZINC000483970020 375185062 /nfs/dbraw/zinc/18/50/62/375185062.db2.gz CGLZPEBMYSEJDU-UHFFFAOYSA-N 1 1 283.415 3.462 20 30 CGEDMO CC1(C)C[N@@H+](CC#Cc2ccccc2)CC2(CCCC2)O1 ZINC000483970020 375185066 /nfs/dbraw/zinc/18/50/66/375185066.db2.gz CGLZPEBMYSEJDU-UHFFFAOYSA-N 1 1 283.415 3.462 20 30 CGEDMO C=CC[N@@H+](CCOC)CCOc1cccc2ccccc21 ZINC000484676391 375188899 /nfs/dbraw/zinc/18/88/99/375188899.db2.gz GNIDXQOERZNCMU-UHFFFAOYSA-N 1 1 285.387 3.353 20 30 CGEDMO COCC[N@@H+](CC#Cc1ccccc1)[C@H]1CC[C@@H](C)C1 ZINC000484874768 375189318 /nfs/dbraw/zinc/18/93/18/375189318.db2.gz YHBKATKBAPEGLT-AEFFLSMTSA-N 1 1 271.404 3.175 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)cc1F ZINC000335204856 375225513 /nfs/dbraw/zinc/22/55/13/375225513.db2.gz PUEQNKNUUCIUTM-INIZCTEOSA-N 1 1 269.323 3.363 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)cc1F ZINC000335204856 375225518 /nfs/dbraw/zinc/22/55/18/375225518.db2.gz PUEQNKNUUCIUTM-INIZCTEOSA-N 1 1 269.323 3.363 20 30 CGEDMO C=C(C)C[N@H+]1CCc2c(ncn2-c2ccc(C)cc2)C1 ZINC000487950394 375287902 /nfs/dbraw/zinc/28/79/02/375287902.db2.gz AEEFNHCAQSVVDZ-UHFFFAOYSA-N 1 1 267.376 3.115 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000335832498 375467845 /nfs/dbraw/zinc/46/78/45/375467845.db2.gz CIQOODRRHFKSQL-UONOGXRCSA-N 1 1 290.794 3.070 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000493980600 375484628 /nfs/dbraw/zinc/48/46/28/375484628.db2.gz CGEHPBHRJFYSAM-ZIAGYGMSSA-N 1 1 282.428 3.188 20 30 CGEDMO CC#CCC[N@@H+](C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496758623 375555036 /nfs/dbraw/zinc/55/50/36/375555036.db2.gz YFSKZRSLPBJGTB-AWEZNQCLSA-N 1 1 286.375 3.049 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccc(-n2nc(C)cc2C)cc1 ZINC000191148150 375585282 /nfs/dbraw/zinc/58/52/82/375585282.db2.gz XTIRESOOAWETEA-UHFFFAOYSA-N 1 1 299.418 3.124 20 30 CGEDMO N#Cc1csc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)n1 ZINC000336012082 375615857 /nfs/dbraw/zinc/61/58/57/375615857.db2.gz XFUJYHJJBWWJDU-GFCCVEGCSA-N 1 1 287.363 3.143 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)n1 ZINC000336012082 375615861 /nfs/dbraw/zinc/61/58/61/375615861.db2.gz XFUJYHJJBWWJDU-GFCCVEGCSA-N 1 1 287.363 3.143 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@](C)(c3ccccc3)C2)cc1C#N ZINC000191367536 375619358 /nfs/dbraw/zinc/61/93/58/375619358.db2.gz LRMHRTJQRVMDIC-IBGZPJMESA-N 1 1 293.414 3.450 20 30 CGEDMO CC(C)C[C@]1(CO)CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000191669678 375649434 /nfs/dbraw/zinc/64/94/34/375649434.db2.gz KNZVHAQUUHMYGQ-KRWDZBQOSA-N 1 1 290.382 3.070 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cccc(-c2ccccn2)c1 ZINC000191760458 375661458 /nfs/dbraw/zinc/66/14/58/375661458.db2.gz UBPORJQGDRVREL-UHFFFAOYSA-N 1 1 282.387 3.383 20 30 CGEDMO FC(F)(F)[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000191869635 375671743 /nfs/dbraw/zinc/67/17/43/375671743.db2.gz ODPMJZYKKKBBOM-AWEZNQCLSA-N 1 1 267.294 3.312 20 30 CGEDMO FC(F)(F)[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000191869635 375671751 /nfs/dbraw/zinc/67/17/51/375671751.db2.gz ODPMJZYKKKBBOM-AWEZNQCLSA-N 1 1 267.294 3.312 20 30 CGEDMO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000336086402 375674805 /nfs/dbraw/zinc/67/48/05/375674805.db2.gz YPAYQCLTFDMDRI-SKDRFNHKSA-N 1 1 272.270 3.314 20 30 CGEDMO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1ccc(C#N)o1 ZINC000336086402 375674813 /nfs/dbraw/zinc/67/48/13/375674813.db2.gz YPAYQCLTFDMDRI-SKDRFNHKSA-N 1 1 272.270 3.314 20 30 CGEDMO CC1(C#N)CC[NH+](Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000336095343 375682624 /nfs/dbraw/zinc/68/26/24/375682624.db2.gz CGXSKNRBRKAATB-UHFFFAOYSA-N 1 1 271.339 3.433 20 30 CGEDMO CN(C)c1cccc(C[N@@H+](C)Cc2ccc(C#N)c(F)c2)c1 ZINC000192119553 375700152 /nfs/dbraw/zinc/70/01/52/375700152.db2.gz KHEPOVZAFCGYDU-UHFFFAOYSA-N 1 1 297.377 3.395 20 30 CGEDMO COCc1ccccc1/C=C(\C)C[N@H+](C)C[C@@H](C)C#N ZINC000507580612 375716089 /nfs/dbraw/zinc/71/60/89/375716089.db2.gz HBCMQJKHGKQFAY-HNRFISLBSA-N 1 1 272.392 3.328 20 30 CGEDMO COCc1ccccc1/C=C(\C)C[N@@H+](C)C[C@@H](C)C#N ZINC000507580612 375716101 /nfs/dbraw/zinc/71/61/01/375716101.db2.gz HBCMQJKHGKQFAY-HNRFISLBSA-N 1 1 272.392 3.328 20 30 CGEDMO C#CCCCC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000192374582 375740304 /nfs/dbraw/zinc/74/03/04/375740304.db2.gz RREDFVDNDMDZFG-AWEZNQCLSA-N 1 1 295.386 3.161 20 30 CGEDMO CCC(CC)C[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000508527062 375749265 /nfs/dbraw/zinc/74/92/65/375749265.db2.gz GDBDGJUWVRHAJC-UHFFFAOYSA-N 1 1 274.408 3.443 20 30 CGEDMO C[C@@H]([NH2+][C@@H](C)c1nnc2ccccn21)c1ccc(C#N)cc1 ZINC000192738764 375784899 /nfs/dbraw/zinc/78/48/99/375784899.db2.gz SIRXAGKRTOPKGL-OLZOCXBDSA-N 1 1 291.358 3.013 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H](C)CCC ZINC000512180005 375795054 /nfs/dbraw/zinc/79/50/54/375795054.db2.gz NHZPFPVCKMVGBA-ZDUSSCGKSA-N 1 1 251.370 3.339 20 30 CGEDMO Cc1ccc2c(c1)C[N@@H+](CC#Cc1ccccc1)CCO2 ZINC000512243039 375796179 /nfs/dbraw/zinc/79/61/79/375796179.db2.gz IVCOCNAJGFGTBV-UHFFFAOYSA-N 1 1 277.367 3.241 20 30 CGEDMO Cc1ccc2c(c1)C[N@H+](CC#Cc1ccccc1)CCO2 ZINC000512243039 375796185 /nfs/dbraw/zinc/79/61/85/375796185.db2.gz IVCOCNAJGFGTBV-UHFFFAOYSA-N 1 1 277.367 3.241 20 30 CGEDMO CC(C)[N@H+](CC(=O)Nc1ccc(C#N)cc1)CC1CCC1 ZINC000193200229 375838256 /nfs/dbraw/zinc/83/82/56/375838256.db2.gz WSSHTOUHJZYRQX-UHFFFAOYSA-N 1 1 285.391 3.007 20 30 CGEDMO N#CC1CC[NH+](Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000336568728 375838422 /nfs/dbraw/zinc/83/84/22/375838422.db2.gz XZXHCQGBVKSSJK-UHFFFAOYSA-N 1 1 257.312 3.043 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000519787384 375851416 /nfs/dbraw/zinc/85/14/16/375851416.db2.gz INRGUQJOTQFXQD-INIZCTEOSA-N 1 1 256.393 3.090 20 30 CGEDMO COc1ncccc1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000193320128 375860251 /nfs/dbraw/zinc/86/02/51/375860251.db2.gz JANXYBSLDMXMFK-UHFFFAOYSA-N 1 1 293.370 3.126 20 30 CGEDMO COc1ncccc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000193320128 375860257 /nfs/dbraw/zinc/86/02/57/375860257.db2.gz JANXYBSLDMXMFK-UHFFFAOYSA-N 1 1 293.370 3.126 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000193443607 375879525 /nfs/dbraw/zinc/87/95/25/375879525.db2.gz DWRAEZGRLSIWRH-WBVHZDCISA-N 1 1 290.451 3.208 20 30 CGEDMO C=Cn1cc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cn1 ZINC000193682424 375908288 /nfs/dbraw/zinc/90/82/88/375908288.db2.gz GCEWXSXGHDIKBE-UHFFFAOYSA-N 1 1 278.359 3.020 20 30 CGEDMO C=Cn1cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cn1 ZINC000193682424 375908291 /nfs/dbraw/zinc/90/82/91/375908291.db2.gz GCEWXSXGHDIKBE-UHFFFAOYSA-N 1 1 278.359 3.020 20 30 CGEDMO CCC[N@@H+](CCCC1(C#N)CCOCC1)CC(C)C ZINC000337132264 376091154 /nfs/dbraw/zinc/09/11/54/376091154.db2.gz KCMPFSAJRNKAAE-UHFFFAOYSA-N 1 1 266.429 3.455 20 30 CGEDMO CC(C)[N@H+](CCCC1(C#N)CCOCC1)CC(F)F ZINC000337160467 376105414 /nfs/dbraw/zinc/10/54/14/376105414.db2.gz SZANPJCGBOEAPN-UHFFFAOYSA-N 1 1 274.355 3.062 20 30 CGEDMO CC(C)[N@@H+](CCCC1(C#N)CCOCC1)CC(F)F ZINC000337160467 376105421 /nfs/dbraw/zinc/10/54/21/376105421.db2.gz SZANPJCGBOEAPN-UHFFFAOYSA-N 1 1 274.355 3.062 20 30 CGEDMO C=CCN(CC=C)[C@H](C[NH2+][C@H](C)c1cscn1)C(C)C ZINC000535779650 376058436 /nfs/dbraw/zinc/05/84/36/376058436.db2.gz OWRDIDRHZNUKKZ-GDBMZVCRSA-N 1 1 293.480 3.492 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000536203032 376082227 /nfs/dbraw/zinc/08/22/27/376082227.db2.gz IIFHKJZXGUBUCX-AWEZNQCLSA-N 1 1 251.757 3.369 20 30 CGEDMO C=CCN1CC[C@@H]([N@H+](CCC)[C@@H]2CCc3ccccc32)C1=O ZINC000337122544 376083747 /nfs/dbraw/zinc/08/37/47/376083747.db2.gz BLXAGKGLEKBGFM-QZTJIDSGSA-N 1 1 298.430 3.173 20 30 CGEDMO C[C@H](C#N)C[N@@H+](CCCCC1CCOCC1)C1CC1 ZINC000337198411 376131105 /nfs/dbraw/zinc/13/11/05/376131105.db2.gz ZRDATWOUPKQNST-CQSZACIVSA-N 1 1 264.413 3.207 20 30 CGEDMO CC(C)(C)[C@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337213765 376144192 /nfs/dbraw/zinc/14/41/92/376144192.db2.gz WRVQAYSOWYQLRX-HNNXBMFYSA-N 1 1 278.440 3.455 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)N(CC)Cc1ccccc1 ZINC000216167228 376158131 /nfs/dbraw/zinc/15/81/31/376158131.db2.gz LRGUWABWDOKGDY-INIZCTEOSA-N 1 1 288.435 3.322 20 30 CGEDMO COc1cccc(C2(F)CC[NH+](CC3(C#N)CC3)CC2)c1 ZINC000337262345 376174320 /nfs/dbraw/zinc/17/43/20/376174320.db2.gz YQZFKWRQQNBJMG-UHFFFAOYSA-N 1 1 288.366 3.260 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000338562144 376427418 /nfs/dbraw/zinc/42/74/18/376427418.db2.gz BWFYFUYACDXWMY-HNNXBMFYSA-N 1 1 282.391 3.227 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000338546103 376419305 /nfs/dbraw/zinc/41/93/05/376419305.db2.gz KTESQAKOFHEQPV-KGLIPLIRSA-N 1 1 286.202 3.459 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000540348926 376370806 /nfs/dbraw/zinc/37/08/06/376370806.db2.gz CKSCWLLBQRTJEK-KGLIPLIRSA-N 1 1 267.413 3.395 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2C)cc1C#N ZINC000227238443 376386716 /nfs/dbraw/zinc/38/67/16/376386716.db2.gz RUXDSQRWWLUTFH-STQMWFEESA-N 1 1 258.365 3.187 20 30 CGEDMO C[C@H](CNc1c(F)cc(C#N)cc1F)[N@H+]1CCC[C@@H](C)C1 ZINC000228383324 376435712 /nfs/dbraw/zinc/43/57/12/376435712.db2.gz WLZFPUXNKDOYLK-VXGBXAGGSA-N 1 1 293.361 3.369 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000541388945 376445458 /nfs/dbraw/zinc/44/54/58/376445458.db2.gz FVVMRIPBCNXNBI-AEFFLSMTSA-N 1 1 273.420 3.420 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](c3nccs3)C2)C1 ZINC000338947319 376594068 /nfs/dbraw/zinc/59/40/68/376594068.db2.gz DZFICXANRWSXNJ-FRRDWIJNSA-N 1 1 261.394 3.015 20 30 CGEDMO Cc1cc(C(=O)C[NH+]2CCC(CC#N)CC2)c(C)n1C1CC1 ZINC000542882317 376590530 /nfs/dbraw/zinc/59/05/30/376590530.db2.gz YFCZDERVEAQKBG-UHFFFAOYSA-N 1 1 299.418 3.248 20 30 CGEDMO C=C1CC[NH+](Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000264461359 190111285 /nfs/dbraw/zinc/11/12/85/190111285.db2.gz KJOWAXVWJRRICF-UHFFFAOYSA-N 1 1 298.430 3.465 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCCCNc2ccc(C#N)cc2)C1 ZINC000339027901 376636334 /nfs/dbraw/zinc/63/63/34/376636334.db2.gz UBUAQUJZYGDNRK-OAHLLOKOSA-N 1 1 271.408 3.482 20 30 CGEDMO C=CCOCC[N@H+]1CCc2ccc(Br)cc2C1 ZINC000339164082 376718374 /nfs/dbraw/zinc/71/83/74/376718374.db2.gz GHSUTRLOYIIGLA-UHFFFAOYSA-N 1 1 296.208 3.010 20 30 CGEDMO C=CCOCC[N@@H+]1CCc2ccc(Br)cc2C1 ZINC000339164082 376718378 /nfs/dbraw/zinc/71/83/78/376718378.db2.gz GHSUTRLOYIIGLA-UHFFFAOYSA-N 1 1 296.208 3.010 20 30 CGEDMO CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000264502001 190114404 /nfs/dbraw/zinc/11/44/04/190114404.db2.gz YCYKAJWWFUWUMH-IBGZPJMESA-N 1 1 294.398 3.331 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H]1CCCO1 ZINC000339193756 376732388 /nfs/dbraw/zinc/73/23/88/376732388.db2.gz JNVTZWHFPDCGGN-INIZCTEOSA-N 1 1 277.412 3.021 20 30 CGEDMO C[C@H]1C[NH+](Cc2ccccc2C(C)(C)C#N)C[C@H](C)N1C ZINC000339622742 376777120 /nfs/dbraw/zinc/77/71/20/376777120.db2.gz JPMPMJHLFBQDBB-GJZGRUSLSA-N 1 1 285.435 3.012 20 30 CGEDMO Cc1cc(C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)ccc1C#N ZINC000339712359 376819802 /nfs/dbraw/zinc/81/98/02/376819802.db2.gz QSOTWJJOHXADQW-GOSISDBHSA-N 1 1 286.419 3.097 20 30 CGEDMO C[N@H+]1CCC[C@H]1CCSc1ccc(C#N)cc1F ZINC000340046398 376901381 /nfs/dbraw/zinc/90/13/81/376901381.db2.gz ULXSPDFIJLRMQX-LBPRGKRZSA-N 1 1 264.369 3.274 20 30 CGEDMO C=CCC(C)(C)C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000555834269 376859581 /nfs/dbraw/zinc/85/95/81/376859581.db2.gz CFMMJJLDWJCECK-UHFFFAOYSA-N 1 1 280.456 3.312 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)C(C)(C)C ZINC000340275478 376973251 /nfs/dbraw/zinc/97/32/51/376973251.db2.gz CQFOEIHDOFQDGX-INIZCTEOSA-N 1 1 274.408 3.177 20 30 CGEDMO C=CCCC[C@@H](C)NC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000245840950 376916208 /nfs/dbraw/zinc/91/62/08/376916208.db2.gz JUUANUHJVQRIFY-CVEARBPZSA-N 1 1 295.471 3.008 20 30 CGEDMO C=CCCC[C@@H](C)NC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000245840954 376916749 /nfs/dbraw/zinc/91/67/49/376916749.db2.gz JUUANUHJVQRIFY-HZPDHXFCSA-N 1 1 295.471 3.008 20 30 CGEDMO C[C@@H]1C[C@H](N[C@H](CCC#N)c2ccccc2)C[N@@H+]1C1CC1 ZINC000246348219 377013844 /nfs/dbraw/zinc/01/38/44/377013844.db2.gz HKYXBIGXNVAWJD-UWWQBHOKSA-N 1 1 283.419 3.246 20 30 CGEDMO C[C@@H]1C[C@H](N[C@H](CCC#N)c2ccccc2)C[N@H+]1C1CC1 ZINC000246348219 377013852 /nfs/dbraw/zinc/01/38/52/377013852.db2.gz HKYXBIGXNVAWJD-UWWQBHOKSA-N 1 1 283.419 3.246 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000247636754 377229153 /nfs/dbraw/zinc/22/91/53/377229153.db2.gz VGHOFARZSGAICO-PVAVHDDUSA-N 1 1 291.460 3.492 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cccc2ccccc21 ZINC000561634879 377236862 /nfs/dbraw/zinc/23/68/62/377236862.db2.gz MHXDRIYIIKQPMH-UHFFFAOYSA-N 1 1 255.361 3.474 20 30 CGEDMO COc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cn2)c1 ZINC000562370491 377304014 /nfs/dbraw/zinc/30/40/14/377304014.db2.gz QAKSBWOSZPNHJD-SFHVURJKSA-N 1 1 293.370 3.299 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000248636198 377371565 /nfs/dbraw/zinc/37/15/65/377371565.db2.gz UVAYHYHSZKIYMD-XHSDSOJGSA-N 1 1 278.440 3.062 20 30 CGEDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000563216234 377421606 /nfs/dbraw/zinc/42/16/06/377421606.db2.gz UATZHDSIRIIMRA-BXUZGUMPSA-N 1 1 273.336 3.087 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1cnc2ccc(C)cc2c1 ZINC000566924473 377501878 /nfs/dbraw/zinc/50/18/78/377501878.db2.gz UUGHUCOBAHRZHT-HNNXBMFYSA-N 1 1 253.349 3.325 20 30 CGEDMO CC[N@@H+](C[C@@H](C)COC)[C@H](C)c1ccc(C#N)cc1 ZINC000249186758 377477458 /nfs/dbraw/zinc/47/74/58/377477458.db2.gz LGGKHUBAPYBCEF-ZIAGYGMSSA-N 1 1 260.381 3.224 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000565456593 377487171 /nfs/dbraw/zinc/48/71/71/377487171.db2.gz RPPXFPZTVRJMHT-BLLLJJGKSA-N 1 1 271.339 3.236 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)C[C@H]1CCCC[C@H]1O ZINC000567990317 377512060 /nfs/dbraw/zinc/51/20/60/377512060.db2.gz SLKPHBFGVJPPGN-HZPDHXFCSA-N 1 1 266.429 3.189 20 30 CGEDMO N#Cc1ccc(NC[C@H]2CCC[N@H+]2Cc2ccccc2)nc1 ZINC000265148245 190161132 /nfs/dbraw/zinc/16/11/32/190161132.db2.gz SBUPXRPZNLRQPD-QGZVFWFLSA-N 1 1 292.386 3.030 20 30 CGEDMO C=CCCCC[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000569796001 377530866 /nfs/dbraw/zinc/53/08/66/377530866.db2.gz CLIKRHZBFKKTGC-CQSZACIVSA-N 1 1 251.395 3.478 20 30 CGEDMO C=CCCCC[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000569796001 377530876 /nfs/dbraw/zinc/53/08/76/377530876.db2.gz CLIKRHZBFKKTGC-CQSZACIVSA-N 1 1 251.395 3.478 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000570058854 377532705 /nfs/dbraw/zinc/53/27/05/377532705.db2.gz JIEMSLQHGABWFC-INIZCTEOSA-N 1 1 260.356 3.497 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000572711327 377551308 /nfs/dbraw/zinc/55/13/08/377551308.db2.gz AXMUVOFEAVWQRL-HNNXBMFYSA-N 1 1 280.456 3.217 20 30 CGEDMO COCC[N@@H+](Cc1ccccc1C#N)[C@H]1CCC[C@H]1C ZINC000487967502 249172123 /nfs/dbraw/zinc/17/21/23/249172123.db2.gz ZEEMNMUQILUWAL-PBHICJAKSA-N 1 1 272.392 3.195 20 30 CGEDMO C[C@@H]([N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-])C(C)(C)C ZINC000517238460 249260677 /nfs/dbraw/zinc/26/06/77/249260677.db2.gz BVHBICULXSPZGB-LLVKDONJSA-N 1 1 275.352 3.333 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCC[C@H]1O ZINC000517274173 249262971 /nfs/dbraw/zinc/26/29/71/249262971.db2.gz ZLKZMXLPJLKZGS-QZTJIDSGSA-N 1 1 286.419 3.321 20 30 CGEDMO Cc1cc(SCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1C#N ZINC000573935721 377597112 /nfs/dbraw/zinc/59/71/12/377597112.db2.gz NTXWQMCEBHCGLB-OKILXGFUSA-N 1 1 290.432 3.068 20 30 CGEDMO Cc1cc(SCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1C#N ZINC000573935721 377597117 /nfs/dbraw/zinc/59/71/17/377597117.db2.gz NTXWQMCEBHCGLB-OKILXGFUSA-N 1 1 290.432 3.068 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000341992105 377625950 /nfs/dbraw/zinc/62/59/50/377625950.db2.gz OLGNYYYRGAAMAZ-YOEHRIQHSA-N 1 1 270.376 3.122 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)N(C1CC1)C1CCC(C)CC1 ZINC000342724665 377756368 /nfs/dbraw/zinc/75/63/68/377756368.db2.gz DUAXTEGFBPJODZ-UHFFFAOYSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000342738044 377767319 /nfs/dbraw/zinc/76/73/19/377767319.db2.gz RWXXVEPWIMOCDU-NSHDSACASA-N 1 1 266.772 3.175 20 30 CGEDMO CC[N@H+](C/C=C\c1ccccc1OC)C[C@@H](C)C#N ZINC000255659090 377774051 /nfs/dbraw/zinc/77/40/51/377774051.db2.gz QVQYZXIMZZNBBP-LEJCZOIISA-N 1 1 258.365 3.190 20 30 CGEDMO CC[N@@H+](C/C=C\c1ccccc1OC)C[C@@H](C)C#N ZINC000255659090 377774057 /nfs/dbraw/zinc/77/40/57/377774057.db2.gz QVQYZXIMZZNBBP-LEJCZOIISA-N 1 1 258.365 3.190 20 30 CGEDMO Cc1ccnc(NC[C@H](C)[N@@H+](C)Cc2ccccc2)c1C#N ZINC000343526590 378007489 /nfs/dbraw/zinc/00/74/89/378007489.db2.gz KGWCPZZKRWJTBN-HNNXBMFYSA-N 1 1 294.402 3.194 20 30 CGEDMO Cc1[nH+]ccn1CCCSc1nc(C)cc(C)c1C#N ZINC000264196678 377962860 /nfs/dbraw/zinc/96/28/60/377962860.db2.gz PZZXUXPEEZQURT-UHFFFAOYSA-N 1 1 286.404 3.257 20 30 CGEDMO CCC[N@@H+](CCC(=O)Nc1ccccc1C#N)CC(C)C ZINC000264248666 377968744 /nfs/dbraw/zinc/96/87/44/377968744.db2.gz XCHDDSVXPJNRKE-UHFFFAOYSA-N 1 1 287.407 3.255 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000265987171 190220812 /nfs/dbraw/zinc/22/08/12/190220812.db2.gz IEGIXPIDJBMCES-UHFFFAOYSA-N 1 1 285.290 3.025 20 30 CGEDMO C=CCC[N@H+](C)Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000343452554 377984079 /nfs/dbraw/zinc/98/40/79/377984079.db2.gz ZXTINZUDKIRQQD-NSHDSACASA-N 1 1 250.411 3.276 20 30 CGEDMO CC(C)[C@@H]1CCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000264592031 377989754 /nfs/dbraw/zinc/98/97/54/377989754.db2.gz ZCKZJYBBIBMBPM-INIZCTEOSA-N 1 1 258.365 3.209 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)CC[C@H]2CCCO2)cc1 ZINC000343501884 377997605 /nfs/dbraw/zinc/99/76/05/377997605.db2.gz YNLWFFRFWFLRLU-MRXNPFEDSA-N 1 1 275.392 3.252 20 30 CGEDMO N#CC1(C[NH2+]C2(c3ccc(Br)cc3)CC2)CC1 ZINC000343584199 378028754 /nfs/dbraw/zinc/02/87/54/378028754.db2.gz NENFRAFPNBZNTO-UHFFFAOYSA-N 1 1 291.192 3.332 20 30 CGEDMO C=CC[N@@H+](CC=C(C)C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000343624549 378044559 /nfs/dbraw/zinc/04/45/59/378044559.db2.gz WRLSERDHJFAESF-OAHLLOKOSA-N 1 1 297.406 3.178 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCc3cc(F)ccc3C2)cc1 ZINC000343755348 378084322 /nfs/dbraw/zinc/08/43/22/378084322.db2.gz XLTQUAWIZKMEOU-UHFFFAOYSA-N 1 1 280.346 3.450 20 30 CGEDMO C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000266543867 378023497 /nfs/dbraw/zinc/02/34/97/378023497.db2.gz IZMMXDSIUGMWKZ-UONOGXRCSA-N 1 1 258.365 3.209 20 30 CGEDMO CCCCC[C@@H]1CCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000577953490 378025726 /nfs/dbraw/zinc/02/57/26/378025726.db2.gz YZZSMXDIRWPULK-MRXNPFEDSA-N 1 1 297.406 3.146 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1ncccc1O ZINC000578802268 378103103 /nfs/dbraw/zinc/10/31/03/378103103.db2.gz VFQYGHGQJXVVAX-UHFFFAOYSA-N 1 1 268.360 3.366 20 30 CGEDMO CCC(CC)[N@@H+](CC)CCC(=O)Nc1cccc(C#N)c1 ZINC000344041462 378155608 /nfs/dbraw/zinc/15/56/08/378155608.db2.gz VTMYOSPFQDTPCX-UHFFFAOYSA-N 1 1 287.407 3.397 20 30 CGEDMO C=CCCCN1C[C@@H](C)[N@H+](CCCC=C)C[C@@H]1C ZINC000269644418 378248938 /nfs/dbraw/zinc/24/89/38/378248938.db2.gz KGRQJFHPWYRKSF-IYBDPMFKSA-N 1 1 250.430 3.313 20 30 CGEDMO C=CCCCN1C[C@H](C)[N@@H+](CCCC=C)C[C@H]1C ZINC000269644418 378248940 /nfs/dbraw/zinc/24/89/40/378248940.db2.gz KGRQJFHPWYRKSF-IYBDPMFKSA-N 1 1 250.430 3.313 20 30 CGEDMO C=CCCCN1C[C@H](C)[N@H+](CCCC=C)C[C@H]1C ZINC000269644418 378248943 /nfs/dbraw/zinc/24/89/43/378248943.db2.gz KGRQJFHPWYRKSF-IYBDPMFKSA-N 1 1 250.430 3.313 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1Cn1c(C)nc2ccccc21 ZINC000270367152 378341430 /nfs/dbraw/zinc/34/14/30/378341430.db2.gz SSZDNWVTAJVVKI-OAHLLOKOSA-N 1 1 269.392 3.385 20 30 CGEDMO CC(C)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000583937253 378359149 /nfs/dbraw/zinc/35/91/49/378359149.db2.gz GPPZXHIZHAADES-AWEZNQCLSA-N 1 1 287.363 3.334 20 30 CGEDMO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1(C)C ZINC000345878358 378396291 /nfs/dbraw/zinc/39/62/91/378396291.db2.gz GOYSLHKOVPUGKZ-JKSUJKDBSA-N 1 1 290.382 3.333 20 30 CGEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1(C)C ZINC000345878358 378396294 /nfs/dbraw/zinc/39/62/94/378396294.db2.gz GOYSLHKOVPUGKZ-JKSUJKDBSA-N 1 1 290.382 3.333 20 30 CGEDMO CC[N@H+]1CC[C@@H](N(C)Cc2cc(F)ccc2C#N)C[C@H]1C ZINC000345889643 378401152 /nfs/dbraw/zinc/40/11/52/378401152.db2.gz KYIHFUXQZSNVSX-CXAGYDPISA-N 1 1 289.398 3.002 20 30 CGEDMO C#CCCC[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000271070552 378447186 /nfs/dbraw/zinc/44/71/86/378447186.db2.gz VLGRDOMXSGGESQ-UHFFFAOYSA-N 1 1 265.360 3.065 20 30 CGEDMO CC(C)(CCC#N)C[N@@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000271115227 378454689 /nfs/dbraw/zinc/45/46/89/378454689.db2.gz VTUOQOIMKHLZEM-UHFFFAOYSA-N 1 1 299.418 3.080 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cnc([C@H]2CCCO2)s1 ZINC000271170676 378470050 /nfs/dbraw/zinc/47/00/50/378470050.db2.gz DRDRXZSVLUOJIK-CYBMUJFWSA-N 1 1 266.410 3.393 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000270991280 378423149 /nfs/dbraw/zinc/42/31/49/378423149.db2.gz DXQNJSYGFJUEJD-IAGOWNOFSA-N 1 1 275.367 3.127 20 30 CGEDMO C[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000271433806 378491130 /nfs/dbraw/zinc/49/11/30/378491130.db2.gz UFKVMTUYGRRGFC-AWEZNQCLSA-N 1 1 281.359 3.177 20 30 CGEDMO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(C#N)c(F)c1 ZINC000346213739 378506852 /nfs/dbraw/zinc/50/68/52/378506852.db2.gz YZKJSGDQOSGKQX-NSHDSACASA-N 1 1 299.305 3.456 20 30 CGEDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000346386176 378563503 /nfs/dbraw/zinc/56/35/03/378563503.db2.gz JOABAIKFLLHRHZ-AWEZNQCLSA-N 1 1 282.391 3.074 20 30 CGEDMO C=CCCC(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000346587767 378634918 /nfs/dbraw/zinc/63/49/18/378634918.db2.gz NCSINDRXHBUAFO-HZPDHXFCSA-N 1 1 286.419 3.074 20 30 CGEDMO CC(C)C[N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000272297355 378606746 /nfs/dbraw/zinc/60/67/46/378606746.db2.gz OZYOXJPSXBMWHZ-UHFFFAOYSA-N 1 1 282.391 3.047 20 30 CGEDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1Nc1cccc(OCCCC#N)c1 ZINC000346537236 378609513 /nfs/dbraw/zinc/60/95/13/378609513.db2.gz CHLSSQHQWDVFNM-RDTXWAMCSA-N 1 1 299.418 3.264 20 30 CGEDMO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)CCCC#N ZINC000346612809 378646736 /nfs/dbraw/zinc/64/67/36/378646736.db2.gz QZOJWJAIMZBHSP-MRXNPFEDSA-N 1 1 258.365 3.308 20 30 CGEDMO C=CCOCCCN1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000348026640 378758039 /nfs/dbraw/zinc/75/80/39/378758039.db2.gz FGWOYLVQAVQKAH-ZWKOTPCHSA-N 1 1 294.483 3.166 20 30 CGEDMO C=CCOCCCN1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000348026640 378758043 /nfs/dbraw/zinc/75/80/43/378758043.db2.gz FGWOYLVQAVQKAH-ZWKOTPCHSA-N 1 1 294.483 3.166 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1c(C)cc(C)nc1OC ZINC000347114856 378707862 /nfs/dbraw/zinc/70/78/62/378707862.db2.gz AXMHPYQJQZTRAJ-AWEZNQCLSA-N 1 1 260.381 3.248 20 30 CGEDMO C=CCOCCC[N@H+](C)[C@@H]1CC[C@@H](SCC)C1 ZINC000348056383 378770993 /nfs/dbraw/zinc/77/09/93/378770993.db2.gz OGEGMEWCZDKSCG-ZIAGYGMSSA-N 1 1 257.443 3.185 20 30 CGEDMO C=CCOCCC[N@@H+]1CCC[C@H]1c1csc(C)n1 ZINC000348029180 378758424 /nfs/dbraw/zinc/75/84/24/378758424.db2.gz HTSFVBUNONOVAI-AWEZNQCLSA-N 1 1 266.410 3.181 20 30 CGEDMO C=C(C)C[N@H+](CCCC(=O)OCC)Cc1ccccc1 ZINC000348228322 378850849 /nfs/dbraw/zinc/85/08/49/378850849.db2.gz MGYILKLFIKUBMM-UHFFFAOYSA-N 1 1 275.392 3.408 20 30 CGEDMO C=CC[N@H+](Cc1ccc2c(c1)COC(C)(C)O2)C1CC1 ZINC000274466119 378837282 /nfs/dbraw/zinc/83/72/82/378837282.db2.gz WCWZMSBOLHALDN-UHFFFAOYSA-N 1 1 273.376 3.482 20 30 CGEDMO Cc1nc(F)ccc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000278519318 194022960 /nfs/dbraw/zinc/02/29/60/194022960.db2.gz XVFWMMBIPIUGCX-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO Cc1nc(F)ccc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000278519318 194022961 /nfs/dbraw/zinc/02/29/61/194022961.db2.gz XVFWMMBIPIUGCX-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000274790502 378895046 /nfs/dbraw/zinc/89/50/46/378895046.db2.gz RPXHRUITCDDCIG-AWEZNQCLSA-N 1 1 270.380 3.226 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCc2cc(OC)c(OC)cc21 ZINC000638910117 378950412 /nfs/dbraw/zinc/95/04/12/378950412.db2.gz NHCCOBJXUQUILW-CQSZACIVSA-N 1 1 261.365 3.199 20 30 CGEDMO N#Cc1ccccc1OCC[N@H+]1CC[C@@H]1c1ccccc1 ZINC000348538364 378981007 /nfs/dbraw/zinc/98/10/07/378981007.db2.gz BSLPBLATZJUSMN-QGZVFWFLSA-N 1 1 278.355 3.384 20 30 CGEDMO N#Cc1cccc(OCC[N@H+]2CC[C@@H]2c2ccccc2)c1 ZINC000348539401 378981799 /nfs/dbraw/zinc/98/17/99/378981799.db2.gz NDPYYVCTWWKOOT-GOSISDBHSA-N 1 1 278.355 3.384 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCc2cc(OC)c(OC)cc21 ZINC000639092540 379014721 /nfs/dbraw/zinc/01/47/21/379014721.db2.gz WKKJILWCCRJERH-CQSZACIVSA-N 1 1 261.365 3.199 20 30 CGEDMO CC[C@H](N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(C#N)cc1 ZINC000278631542 194076968 /nfs/dbraw/zinc/07/69/68/194076968.db2.gz GYLHVTVMYAEQLM-KURKYZTESA-N 1 1 285.435 3.472 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)C1Cc2ccccc2C1 ZINC000347295723 218180940 /nfs/dbraw/zinc/18/09/40/218180940.db2.gz BWJDJDCEWCRZDF-UHFFFAOYSA-N 1 1 292.382 3.166 20 30 CGEDMO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](CCCSCC#N)C1 ZINC000372022321 379187167 /nfs/dbraw/zinc/18/71/67/379187167.db2.gz WWZSWUPTKYRHJT-UKRRQHHQSA-N 1 1 275.421 3.111 20 30 CGEDMO N#Cc1csc(C[N@H+](Cc2cccnc2)C2CC2)c1 ZINC000349275753 379212931 /nfs/dbraw/zinc/21/29/31/379212931.db2.gz IQJQKMRTNOYSLK-UHFFFAOYSA-N 1 1 269.373 3.179 20 30 CGEDMO N#Cc1csc(C[N@@H+](Cc2cccnc2)C2CC2)c1 ZINC000349275753 379212945 /nfs/dbraw/zinc/21/29/45/379212945.db2.gz IQJQKMRTNOYSLK-UHFFFAOYSA-N 1 1 269.373 3.179 20 30 CGEDMO C#CCCC[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000373197485 379240282 /nfs/dbraw/zinc/24/02/82/379240282.db2.gz HUDBZKAUCNXWGG-INIZCTEOSA-N 1 1 294.402 3.065 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000373262220 379250557 /nfs/dbraw/zinc/25/05/57/379250557.db2.gz UULPDWNMBVYFMS-OAHLLOKOSA-N 1 1 261.413 3.346 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000373306448 379259002 /nfs/dbraw/zinc/25/90/02/379259002.db2.gz SCMNBTFXCOMCLE-OAHLLOKOSA-N 1 1 259.397 3.402 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@H](c2nccn2C)C2CC2)C1 ZINC000639308696 379259349 /nfs/dbraw/zinc/25/93/49/379259349.db2.gz HUHSTWSDTAWTOJ-ZFWWWQNUSA-N 1 1 259.397 3.159 20 30 CGEDMO CN(CC[C@H]1CCCC[N@H+]1C)Cc1cc(C#N)ccc1F ZINC000266578670 190268649 /nfs/dbraw/zinc/26/86/49/190268649.db2.gz HEFVQMRUTAATIF-MRXNPFEDSA-N 1 1 289.398 3.004 20 30 CGEDMO N#Cc1cccc([C@@H]2C[N@H+](CCc3ccccc3)CCO2)c1 ZINC000374387352 379431294 /nfs/dbraw/zinc/43/12/94/379431294.db2.gz PYTQZCHSPDXPGL-IBGZPJMESA-N 1 1 292.382 3.174 20 30 CGEDMO N#Cc1cccc([C@@H]2C[N@@H+](CCc3ccccc3)CCO2)c1 ZINC000374387352 379431305 /nfs/dbraw/zinc/43/13/05/379431305.db2.gz PYTQZCHSPDXPGL-IBGZPJMESA-N 1 1 292.382 3.174 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H]1CCO[C@@H]1C ZINC000639457077 379404354 /nfs/dbraw/zinc/40/43/54/379404354.db2.gz WSXIYHLKKNSQJQ-GDBMZVCRSA-N 1 1 275.392 3.108 20 30 CGEDMO N#CCCCC[N@@H+]1CCC[C@H]1COc1ccc(F)cc1 ZINC000374624433 379471643 /nfs/dbraw/zinc/47/16/43/379471643.db2.gz ZDERLNBFBIDNIA-HNNXBMFYSA-N 1 1 276.355 3.363 20 30 CGEDMO C[C@@H](CC1CCOCC1)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000350003402 379475734 /nfs/dbraw/zinc/47/57/34/379475734.db2.gz ANIQRISSGVHABP-HNNXBMFYSA-N 1 1 286.419 3.443 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000375011470 379485730 /nfs/dbraw/zinc/48/57/30/379485730.db2.gz FZHLKRVZJLOVHQ-CVEARBPZSA-N 1 1 278.440 3.455 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000375300263 379490236 /nfs/dbraw/zinc/49/02/36/379490236.db2.gz YAHFHHLEWSDLGS-OAHLLOKOSA-N 1 1 264.413 3.207 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OCC(F)F)cc1)C1CC1 ZINC000350259586 379533206 /nfs/dbraw/zinc/53/32/06/379533206.db2.gz CVVACFOPJAFEGZ-UHFFFAOYSA-N 1 1 267.319 3.481 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCC23CCOCC3)c1 ZINC000375730560 379506452 /nfs/dbraw/zinc/50/64/52/379506452.db2.gz JUYBKTRMARNPRA-UHFFFAOYSA-N 1 1 273.376 3.006 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)Cc2ccoc2)cc1 ZINC000350118751 379512556 /nfs/dbraw/zinc/51/25/56/379512556.db2.gz FVOXRUCKKPIIHZ-UHFFFAOYSA-N 1 1 257.333 3.476 20 30 CGEDMO CCCCCCCC[N@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000375932023 379517718 /nfs/dbraw/zinc/51/77/18/379517718.db2.gz MGKCRZSXFZMTGS-YOEHRIQHSA-N 1 1 259.459 3.047 20 30 CGEDMO CC(=O)c1c(C)cc(C)c(C[NH2+][C@@H](C)CC#N)c1C ZINC000639726653 379559542 /nfs/dbraw/zinc/55/95/42/379559542.db2.gz ZIOBGKPAUDIYPZ-LBPRGKRZSA-N 1 1 258.365 3.206 20 30 CGEDMO CCn1nc(C)c(C[N@H+](C)CC#Cc2ccccc2)c1C ZINC000639923543 379645836 /nfs/dbraw/zinc/64/58/36/379645836.db2.gz SOWLACZOHNUEBS-UHFFFAOYSA-N 1 1 281.403 3.003 20 30 CGEDMO CCn1nc(C)c(C[N@@H+](C)CC#Cc2ccccc2)c1C ZINC000639923543 379645845 /nfs/dbraw/zinc/64/58/45/379645845.db2.gz SOWLACZOHNUEBS-UHFFFAOYSA-N 1 1 281.403 3.003 20 30 CGEDMO CC#CCC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)CCCO ZINC000640015326 379686962 /nfs/dbraw/zinc/68/69/62/379686962.db2.gz AJKXSFNXNNJKNI-INIZCTEOSA-N 1 1 289.419 3.072 20 30 CGEDMO C=CCC(C)(C)c1noc(-c2cnn(-c3cc[nH+]cc3)c2)n1 ZINC000351162791 379665683 /nfs/dbraw/zinc/66/56/83/379665683.db2.gz VXVOXYBJQLRVOQ-UHFFFAOYSA-N 1 1 295.346 3.171 20 30 CGEDMO C[C@H](CCC#N)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000351430328 379721918 /nfs/dbraw/zinc/72/19/18/379721918.db2.gz YEKVJKWULHGKOP-BBWFWOEESA-N 1 1 277.456 3.265 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000351563316 379726847 /nfs/dbraw/zinc/72/68/47/379726847.db2.gz NDHMKEUGQJLQDT-CVEARBPZSA-N 1 1 259.393 3.111 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000351845199 379746651 /nfs/dbraw/zinc/74/66/51/379746651.db2.gz QUHOFHSVWAQDSM-HNNXBMFYSA-N 1 1 272.392 3.303 20 30 CGEDMO C[C@@H](F)CC[NH+]1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000352402327 379796845 /nfs/dbraw/zinc/79/68/45/379796845.db2.gz MZVQJEQQBNHPAE-GFCCVEGCSA-N 1 1 295.789 3.082 20 30 CGEDMO CCCC[C@@H](C)[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000352417212 379806587 /nfs/dbraw/zinc/80/65/87/379806587.db2.gz YPSMSFFGJOHQAQ-GFCCVEGCSA-N 1 1 293.436 3.459 20 30 CGEDMO N#CC1(C[NH2+]Cc2cccc(-c3cccnc3)c2)CC1 ZINC000574743541 335043867 /nfs/dbraw/zinc/04/38/67/335043867.db2.gz BAAJPNSGCPDJHL-UHFFFAOYSA-N 1 1 263.344 3.142 20 30 CGEDMO C=C(C)[C@H]1OCC[C@H]1CNc1cc[nH+]cc1Cl ZINC000280754733 379780635 /nfs/dbraw/zinc/78/06/35/379780635.db2.gz MRSRYRRGLFPESW-GXFFZTMASA-N 1 1 252.745 3.128 20 30 CGEDMO CC1(C)C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)[C@H]2CCC[C@H]21 ZINC000378831688 379857201 /nfs/dbraw/zinc/85/72/01/379857201.db2.gz KHVKNCBTCWDFFT-CVEARBPZSA-N 1 1 297.402 3.007 20 30 CGEDMO COc1cc(C[N@H+]2C[C@H](C)CC2(C)C)ccc1C#N ZINC000380387151 379863384 /nfs/dbraw/zinc/86/33/84/379863384.db2.gz SPDRDHBFMUAALJ-GFCCVEGCSA-N 1 1 258.365 3.187 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000395393097 379922331 /nfs/dbraw/zinc/92/23/31/379922331.db2.gz QATSIJOFXXFLLN-AWEZNQCLSA-N 1 1 266.429 3.189 20 30 CGEDMO C[N@H+](Cc1ccsc1)Cc1ccc(C#N)c(F)c1 ZINC000404250653 379978769 /nfs/dbraw/zinc/97/87/69/379978769.db2.gz JITGKMKDLWDGCS-UHFFFAOYSA-N 1 1 260.337 3.391 20 30 CGEDMO C[N@@H+](Cc1ccsc1)Cc1ccc(C#N)c(F)c1 ZINC000404250653 379978774 /nfs/dbraw/zinc/97/87/74/379978774.db2.gz JITGKMKDLWDGCS-UHFFFAOYSA-N 1 1 260.337 3.391 20 30 CGEDMO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404270966 379980873 /nfs/dbraw/zinc/98/08/73/379980873.db2.gz ZLRBMRNENCROPA-SECBINFHSA-N 1 1 273.311 3.153 20 30 CGEDMO COC(C)(C)C[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000404291345 379981163 /nfs/dbraw/zinc/98/11/63/379981163.db2.gz ZOGRQPDTMPYAAW-UHFFFAOYSA-N 1 1 266.772 3.068 20 30 CGEDMO CC[C@]1(C)CC[N@@H+](Cc2cc(C#N)ccc2OC)C1 ZINC000399281331 379936628 /nfs/dbraw/zinc/93/66/28/379936628.db2.gz ASLJQXCUXLAMCF-MRXNPFEDSA-N 1 1 258.365 3.189 20 30 CGEDMO C[C@@H]1C[N@@H+](CC2(CC#N)CC2)CCc2ccccc21 ZINC000404719144 379982592 /nfs/dbraw/zinc/98/25/92/379982592.db2.gz SOFUOLOBGRHJRH-CQSZACIVSA-N 1 1 254.377 3.342 20 30 CGEDMO C[C@@H](C#N)C[N@H+](C[C@H]1CCC2(CCCCC2)O1)C1CC1 ZINC000409446398 380035358 /nfs/dbraw/zinc/03/53/58/380035358.db2.gz YSQOFDQRTKDGHC-GOEBONIOSA-N 1 1 276.424 3.492 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C[C@H]1CCC2(CCCCC2)O1)C1CC1 ZINC000409446398 380035366 /nfs/dbraw/zinc/03/53/66/380035366.db2.gz YSQOFDQRTKDGHC-GOEBONIOSA-N 1 1 276.424 3.492 20 30 CGEDMO CC[C@H](O)[C@H]1CCCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411298051 380138303 /nfs/dbraw/zinc/13/83/03/380138303.db2.gz UYORFFZXNGHCSF-CVEARBPZSA-N 1 1 278.440 3.476 20 30 CGEDMO C[C@H](O)C[C@@H]1CCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411398088 380141533 /nfs/dbraw/zinc/14/15/33/380141533.db2.gz APFGRQCQPSGCBW-GJZGRUSLSA-N 1 1 264.413 3.086 20 30 CGEDMO CCCC[N@H+](C)C[C@@H](C)N[C@H]1CCc2ccc(C#N)cc21 ZINC000353566490 380212912 /nfs/dbraw/zinc/21/29/12/380212912.db2.gz DLCQYULYZKVIIU-KDOFPFPSSA-N 1 1 285.435 3.256 20 30 CGEDMO CCCC[N@@H+](C)C[C@@H](C)N[C@H]1CCc2ccc(C#N)cc21 ZINC000353566490 380212916 /nfs/dbraw/zinc/21/29/16/380212916.db2.gz DLCQYULYZKVIIU-KDOFPFPSSA-N 1 1 285.435 3.256 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](C)Cc2ccc[nH]2)c1 ZINC000354033658 380290547 /nfs/dbraw/zinc/29/05/47/380290547.db2.gz MSXQDIYDRKEVMA-UHFFFAOYSA-N 1 1 256.349 3.212 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)CC(C)(C)C#N)cc1OC ZINC000354039587 380295009 /nfs/dbraw/zinc/29/50/09/380295009.db2.gz NLYVAEBKMASPBB-UHFFFAOYSA-N 1 1 288.391 3.242 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)CC(C)(C)C#N)cc1OC ZINC000354039587 380295017 /nfs/dbraw/zinc/29/50/17/380295017.db2.gz NLYVAEBKMASPBB-UHFFFAOYSA-N 1 1 288.391 3.242 20 30 CGEDMO C=CCOCC[N@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000645081433 380573496 /nfs/dbraw/zinc/57/34/96/380573496.db2.gz KJRPCCQWUIBRLR-ZWKOTPCHSA-N 1 1 289.419 3.289 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)c1 ZINC000355118627 380581950 /nfs/dbraw/zinc/58/19/50/380581950.db2.gz VSDLDADCSARNDT-WMZOPIPTSA-N 1 1 287.403 3.252 20 30 CGEDMO C=CC[NH+](CC=C)[C@@H](C)C(=O)NCCC1=CCCCC1 ZINC000355465705 380675458 /nfs/dbraw/zinc/67/54/58/380675458.db2.gz NTHBEAMFFBIYHM-HNNXBMFYSA-N 1 1 276.424 3.056 20 30 CGEDMO CC[C@@H](C[N@H+](Cc1ccc(C#N)cc1)CC(C)C)OC ZINC000419194609 380776461 /nfs/dbraw/zinc/77/64/61/380776461.db2.gz QHYWCBZXLVIWJT-KRWDZBQOSA-N 1 1 274.408 3.441 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)CCOCC1CCC1 ZINC000419212754 380779551 /nfs/dbraw/zinc/77/95/51/380779551.db2.gz HRFAKSBYUYHSIE-UHFFFAOYSA-N 1 1 252.402 3.065 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)CCOCC1CCC1 ZINC000419212754 380779558 /nfs/dbraw/zinc/77/95/58/380779558.db2.gz HRFAKSBYUYHSIE-UHFFFAOYSA-N 1 1 252.402 3.065 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@H]1Cc1cc(F)ccc1F ZINC000419296324 380796351 /nfs/dbraw/zinc/79/63/51/380796351.db2.gz DSVDPGUFHOAGSU-HNNXBMFYSA-N 1 1 281.346 3.174 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](O)[C@H]1CCc1ccccc1 ZINC000646073204 380821750 /nfs/dbraw/zinc/82/17/50/380821750.db2.gz SEFWOOXSBBWRSN-IAGOWNOFSA-N 1 1 259.393 3.021 20 30 CGEDMO CC[N@@H+](CCOc1ccccc1C)[C@@H]1CC[C@@H](C#N)C1 ZINC000420970766 380865407 /nfs/dbraw/zinc/86/54/07/380865407.db2.gz GPBYIFGXTUQNPG-HZPDHXFCSA-N 1 1 272.392 3.388 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000279278545 194365441 /nfs/dbraw/zinc/36/54/41/194365441.db2.gz OFMSPHUZDVWHEQ-UHFFFAOYSA-N 1 1 299.330 3.093 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000279278545 194365442 /nfs/dbraw/zinc/36/54/42/194365442.db2.gz OFMSPHUZDVWHEQ-UHFFFAOYSA-N 1 1 299.330 3.093 20 30 CGEDMO C=CC[N@@H+](Cc1nc2cc(Cl)ccc2n1C)C1CC1 ZINC000357528355 381196024 /nfs/dbraw/zinc/19/60/24/381196024.db2.gz LIMMKDJDYVWYJH-UHFFFAOYSA-N 1 1 275.783 3.377 20 30 CGEDMO C=CC[N@H+](Cc1nc2cc(Cl)ccc2n1C)C1CC1 ZINC000357528355 381196031 /nfs/dbraw/zinc/19/60/31/381196031.db2.gz LIMMKDJDYVWYJH-UHFFFAOYSA-N 1 1 275.783 3.377 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000358496818 381311409 /nfs/dbraw/zinc/31/14/09/381311409.db2.gz JNAHTGCPVGGWGK-HNNXBMFYSA-N 1 1 287.407 3.007 20 30 CGEDMO C=C(CC)C[N@H+](C)CC(=O)Nc1ccccc1SC ZINC000358623911 381319262 /nfs/dbraw/zinc/31/92/62/381319262.db2.gz JVMUYULLDCBKKZ-UHFFFAOYSA-N 1 1 278.421 3.245 20 30 CGEDMO C=C(CC)C[N@@H+](C)CC(=O)Nc1ccccc1SC ZINC000358623911 381319265 /nfs/dbraw/zinc/31/92/65/381319265.db2.gz JVMUYULLDCBKKZ-UHFFFAOYSA-N 1 1 278.421 3.245 20 30 CGEDMO C=C(CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)c1ccccc1 ZINC000360207372 381479973 /nfs/dbraw/zinc/47/99/73/381479973.db2.gz GTXSTWAOSWDTOI-SFHVURJKSA-N 1 1 298.430 3.223 20 30 CGEDMO C=C(CNC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000360223093 381486845 /nfs/dbraw/zinc/48/68/45/381486845.db2.gz XZFRFHQQYYUKAB-QGZVFWFLSA-N 1 1 286.419 3.081 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1C[C@@H](CC)O[C@@]2(CCOC2)C1 ZINC000361509775 381783138 /nfs/dbraw/zinc/78/31/38/381783138.db2.gz WUTDTGDUYBMVKV-XHSDSOJGSA-N 1 1 267.413 3.001 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C#N)cc1F)[C@H]1CC[C@H](C)C1 ZINC000361634256 381846689 /nfs/dbraw/zinc/84/66/89/381846689.db2.gz AFESUAKEXFXPGD-BBRMVZONSA-N 1 1 290.382 3.334 20 30 CGEDMO Cc1cc([C@@H]2CCC[N@@H+]2CCOc2ccccc2C#N)no1 ZINC000363023717 382178281 /nfs/dbraw/zinc/17/82/81/382178281.db2.gz RKBXJKDEWZILPS-INIZCTEOSA-N 1 1 297.358 3.071 20 30 CGEDMO Cc1cc([C@@H]2CCC[N@H+]2CCOc2ccccc2C#N)no1 ZINC000363023717 382178288 /nfs/dbraw/zinc/17/82/88/382178288.db2.gz RKBXJKDEWZILPS-INIZCTEOSA-N 1 1 297.358 3.071 20 30 CGEDMO N#CC1(CCC[N@H+]2CCCC23CCC3)CCOCC1 ZINC000369715953 382394353 /nfs/dbraw/zinc/39/43/53/382394353.db2.gz YMDFTMMDUUJHJO-UHFFFAOYSA-N 1 1 262.397 3.105 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)ccc1C#N ZINC000335322818 208188397 /nfs/dbraw/zinc/18/83/97/208188397.db2.gz UXNVXAUNSLOAQH-ROUUACIJSA-N 1 1 284.403 3.115 20 30 CGEDMO CC[N@@H+](C[C@H]1CCCO1)[C@H](C)c1cccc(C#N)c1 ZINC000275952614 285087968 /nfs/dbraw/zinc/08/79/68/285087968.db2.gz FPPNAASCXVEEAH-CZUORRHYSA-N 1 1 258.365 3.120 20 30 CGEDMO C#CC[N@@H+](CC)Cc1nc2cc(Br)ccc2o1 ZINC000286450780 542393802 /nfs/dbraw/zinc/39/38/02/542393802.db2.gz OCGWXSAQDNQJQN-UHFFFAOYSA-N 1 1 293.164 3.045 20 30 CGEDMO C#CC[N@H+](CC)Cc1nc2cc(Br)ccc2o1 ZINC000286450780 542393803 /nfs/dbraw/zinc/39/38/03/542393803.db2.gz OCGWXSAQDNQJQN-UHFFFAOYSA-N 1 1 293.164 3.045 20 30 CGEDMO COc1cc(C[N@@H+](C)C(C2CC2)C2CC2)ccc1C#N ZINC000282284749 195562511 /nfs/dbraw/zinc/56/25/11/195562511.db2.gz LFEPKLPGGISSBZ-UHFFFAOYSA-N 1 1 270.376 3.187 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@@H]2c2ccccc2)cc1C#N ZINC000191204091 130202002 /nfs/dbraw/zinc/20/20/02/130202002.db2.gz GYJMGRKXOCQAOJ-QGZVFWFLSA-N 1 1 265.360 3.234 20 30 CGEDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191375597 130229053 /nfs/dbraw/zinc/22/90/53/130229053.db2.gz VAOMMEYBKMCGOM-RHSMWYFYSA-N 1 1 279.387 3.275 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)[C@@H]1c1ccccc1 ZINC000191432850 130236401 /nfs/dbraw/zinc/23/64/01/130236401.db2.gz YDWQCHCIOLCJMG-GUYCJALGSA-N 1 1 265.360 3.090 20 30 CGEDMO C[C@@H]1CCC[C@H]([N@@H+](C)CCOc2cccc(C#N)c2)C1 ZINC000048335269 391996219 /nfs/dbraw/zinc/99/62/19/391996219.db2.gz NDBBAWFBFNNXEW-ZBFHGGJFSA-N 1 1 272.392 3.448 20 30 CGEDMO COCC[N@H+](Cc1ccccc1)Cc1ccc(C#N)cc1F ZINC000053899155 392088465 /nfs/dbraw/zinc/08/84/65/392088465.db2.gz CMIVLTIZUHEGET-UHFFFAOYSA-N 1 1 298.361 3.346 20 30 CGEDMO COCC[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1F ZINC000053899155 392088473 /nfs/dbraw/zinc/08/84/73/392088473.db2.gz CMIVLTIZUHEGET-UHFFFAOYSA-N 1 1 298.361 3.346 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(F)ccc1F ZINC000051400934 392068724 /nfs/dbraw/zinc/06/87/24/392068724.db2.gz XOGHEBSTCYDQKK-UHFFFAOYSA-N 1 1 272.298 3.468 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(F)ccc1F ZINC000051400934 392068728 /nfs/dbraw/zinc/06/87/28/392068728.db2.gz XOGHEBSTCYDQKK-UHFFFAOYSA-N 1 1 272.298 3.468 20 30 CGEDMO Cc1cc(C[N@@H+](C)[C@H](C)CC#N)ccc1Br ZINC000093090563 392234984 /nfs/dbraw/zinc/23/49/84/392234984.db2.gz KZOPDRHPXUOTPC-LLVKDONJSA-N 1 1 281.197 3.492 20 30 CGEDMO Cc1cc(C[N@H+](C)[C@H](C)CC#N)ccc1Br ZINC000093090563 392234987 /nfs/dbraw/zinc/23/49/87/392234987.db2.gz KZOPDRHPXUOTPC-LLVKDONJSA-N 1 1 281.197 3.492 20 30 CGEDMO CCC[N@H+](Cc1cccc(C#N)c1)C[C@H]1CCCCO1 ZINC000071963784 392194021 /nfs/dbraw/zinc/19/40/21/392194021.db2.gz IQLVCYDWPFPXGK-QGZVFWFLSA-N 1 1 272.392 3.339 20 30 CGEDMO N#Cc1ccc(C[N@@H+](CCO)CC2CCCCC2)cc1F ZINC000361753568 392313901 /nfs/dbraw/zinc/31/39/01/392313901.db2.gz KULHRYOPBSQUHK-UHFFFAOYSA-N 1 1 290.382 3.072 20 30 CGEDMO C#CCOc1ccccc1C[NH2+][C@H](C)c1cc(C)ccn1 ZINC000286045125 392367349 /nfs/dbraw/zinc/36/73/49/392367349.db2.gz JZHFWTKKUFGNFI-OAHLLOKOSA-N 1 1 280.371 3.253 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)N(C(C)C)C1CCCC1 ZINC000114712376 392386815 /nfs/dbraw/zinc/38/68/15/392386815.db2.gz RMYSSGYRTQRFSP-UHFFFAOYSA-N 1 1 266.429 3.064 20 30 CGEDMO C[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)CC(C)(C)C ZINC000263812352 131336652 /nfs/dbraw/zinc/33/66/52/131336652.db2.gz URCOBGGMWJYMMA-UHFFFAOYSA-N 1 1 293.798 3.128 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccncc2)cc1 ZINC000289816607 392433564 /nfs/dbraw/zinc/43/35/64/392433564.db2.gz NWOOGOYWGFEZNV-LJQANCHMSA-N 1 1 292.382 3.431 20 30 CGEDMO Cc1cccc2[nH]c(C[NH2+]Cc3cc(C#N)cs3)nc21 ZINC000153624439 392522032 /nfs/dbraw/zinc/52/20/32/392522032.db2.gz SRPUOZULOZAZDN-UHFFFAOYSA-N 1 1 282.372 3.094 20 30 CGEDMO CC(C)C[N@@H+](CC(=O)Nc1cccc(C#N)c1)C1CCCC1 ZINC000316641618 392669644 /nfs/dbraw/zinc/66/96/44/392669644.db2.gz CDGYDIDHYVVAKE-UHFFFAOYSA-N 1 1 299.418 3.397 20 30 CGEDMO CC(C)(C#N)CCC[N@@H+]1CCOc2cccc(F)c2C1 ZINC000374500827 392678790 /nfs/dbraw/zinc/67/87/90/392678790.db2.gz BJUIJAKUUVMRCJ-UHFFFAOYSA-N 1 1 276.355 3.350 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCOc2cccc(F)c2C1 ZINC000374500827 392678794 /nfs/dbraw/zinc/67/87/94/392678794.db2.gz BJUIJAKUUVMRCJ-UHFFFAOYSA-N 1 1 276.355 3.350 20 30 CGEDMO Cc1noc(C)c1NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000329457218 392682527 /nfs/dbraw/zinc/68/25/27/392682527.db2.gz QOIIQTCIZSOLSQ-LBPRGKRZSA-N 1 1 265.357 3.144 20 30 CGEDMO C=C(C)C[C@H](C)c1nc([C@@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1 ZINC000329626890 392689075 /nfs/dbraw/zinc/68/90/75/392689075.db2.gz VNCNDTBXEZBGTL-XEZPLFJOSA-N 1 1 291.395 3.065 20 30 CGEDMO C=C(C)C[C@H](C)c1nc([C@@H]2C[N@H+]3CCC[C@@]3(C)CO2)no1 ZINC000329626890 392689086 /nfs/dbraw/zinc/68/90/86/392689086.db2.gz VNCNDTBXEZBGTL-XEZPLFJOSA-N 1 1 291.395 3.065 20 30 CGEDMO COc1cccc(C[N@@H+](C)Cc2cc(C#N)cs2)c1 ZINC000505701022 392689566 /nfs/dbraw/zinc/68/95/66/392689566.db2.gz UCDYOLXIODIRIN-UHFFFAOYSA-N 1 1 272.373 3.260 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)CCOc1cccc(C#N)c1 ZINC000173538940 392626604 /nfs/dbraw/zinc/62/66/04/392626604.db2.gz AMVFRFPAJDTTAD-UHFFFAOYSA-N 1 1 285.391 3.199 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)CCOc1cccc(C#N)c1 ZINC000173538940 392626607 /nfs/dbraw/zinc/62/66/07/392626607.db2.gz AMVFRFPAJDTTAD-UHFFFAOYSA-N 1 1 285.391 3.199 20 30 CGEDMO CC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(C#N)cc1 ZINC000373028280 392657495 /nfs/dbraw/zinc/65/74/95/392657495.db2.gz XXQYCZOJPZUFHD-KURKYZTESA-N 1 1 283.419 3.226 20 30 CGEDMO CC[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C#N)cc1 ZINC000373028280 392657501 /nfs/dbraw/zinc/65/75/01/392657501.db2.gz XXQYCZOJPZUFHD-KURKYZTESA-N 1 1 283.419 3.226 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(OC)c(Br)c1 ZINC000181285394 392726163 /nfs/dbraw/zinc/72/61/63/392726163.db2.gz NPFLMWOCXVRBFT-UHFFFAOYSA-N 1 1 284.197 3.466 20 30 CGEDMO N#Cc1ccc2c(c1)[C@@H]([N@H+]1CCC[C@@]3(CCOC3)C1)CC2 ZINC000334531826 392735779 /nfs/dbraw/zinc/73/57/79/392735779.db2.gz VFJMHIRXAFVIRW-ZWKOTPCHSA-N 1 1 282.387 3.048 20 30 CGEDMO Cc1cc([C@@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)nn1C ZINC000334907947 392757744 /nfs/dbraw/zinc/75/77/44/392757744.db2.gz VOSFOHNOIBANOK-CXAGYDPISA-N 1 1 294.402 3.328 20 30 CGEDMO FC(F)(F)C1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000192047753 392838596 /nfs/dbraw/zinc/83/85/96/392838596.db2.gz VQGOXBWKKBTETE-UHFFFAOYSA-N 1 1 267.294 3.312 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+](C)CCOc1ccccc1 ZINC000186164080 392778681 /nfs/dbraw/zinc/77/86/81/392778681.db2.gz OQZJWDUUOUPRSU-UHFFFAOYSA-N 1 1 280.371 3.378 20 30 CGEDMO N#CC1(C[NH+]2CCC(F)(c3cccnc3)CC2)CCC1 ZINC000335580520 392800427 /nfs/dbraw/zinc/80/04/27/392800427.db2.gz FIZLUHZINWAABJ-UHFFFAOYSA-N 1 1 273.355 3.036 20 30 CGEDMO C=C(C)CC[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000337434611 392885244 /nfs/dbraw/zinc/88/52/44/392885244.db2.gz HCWBWPDXAIZSJH-HNNXBMFYSA-N 1 1 274.408 3.104 20 30 CGEDMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1ccc(C#N)cn1 ZINC000519806588 392895267 /nfs/dbraw/zinc/89/52/67/392895267.db2.gz UIELCVGXXVEPPD-CZUORRHYSA-N 1 1 295.361 3.470 20 30 CGEDMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@H+]2CCC(C)(C)C#N)C1 ZINC000338173360 392900122 /nfs/dbraw/zinc/90/01/22/392900122.db2.gz AJCTYHPPSMOWDU-QXSJWSMHSA-N 1 1 278.440 3.188 20 30 CGEDMO Cc1cc(F)cc2c1C[N@H+]([C@@H]1CC[C@H](C#N)C1)CC2 ZINC000336575817 392862587 /nfs/dbraw/zinc/86/25/87/392862587.db2.gz XFIRYLIJAXNENL-SWLSCSKDSA-N 1 1 258.340 3.185 20 30 CGEDMO C=CCOCC[N@H+](CC)Cc1ccc(Cl)s1 ZINC000338884556 392933775 /nfs/dbraw/zinc/93/37/75/392933775.db2.gz QHYQSGDJLVSXNP-UHFFFAOYSA-N 1 1 259.802 3.426 20 30 CGEDMO C[C@H]1CC[C@H]([N@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459436009 392944021 /nfs/dbraw/zinc/94/40/21/392944021.db2.gz YHSGAAATZKERTN-AAEUAGOBSA-N 1 1 273.336 3.087 20 30 CGEDMO C[C@H]1CC[C@H]([N@@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459436009 392944024 /nfs/dbraw/zinc/94/40/24/392944024.db2.gz YHSGAAATZKERTN-AAEUAGOBSA-N 1 1 273.336 3.087 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC000339033561 392941715 /nfs/dbraw/zinc/94/17/15/392941715.db2.gz ZRMJEVOURQPENU-BPKGMFCQSA-N 1 1 275.440 3.016 20 30 CGEDMO C[C@H](CCC#N)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000411800940 392988243 /nfs/dbraw/zinc/98/82/43/392988243.db2.gz ZQLUJJAQIAGRKK-IAGOWNOFSA-N 1 1 285.435 3.133 20 30 CGEDMO C[C@H](CCC#N)[N@@H+]1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000411800940 392988252 /nfs/dbraw/zinc/98/82/52/392988252.db2.gz ZQLUJJAQIAGRKK-IAGOWNOFSA-N 1 1 285.435 3.133 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000411800940 392988260 /nfs/dbraw/zinc/98/82/60/392988260.db2.gz ZQLUJJAQIAGRKK-IAGOWNOFSA-N 1 1 285.435 3.133 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCSC2(CCC2)CC1 ZINC000411875317 392990974 /nfs/dbraw/zinc/99/09/74/392990974.db2.gz LSKDGCZLOKYKPD-UHFFFAOYSA-N 1 1 271.429 3.400 20 30 CGEDMO C[C@H]1[C@@H](CO)CCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000412076072 392994403 /nfs/dbraw/zinc/99/44/03/392994403.db2.gz JJRXFNBFIOYFRQ-GOEBONIOSA-N 1 1 286.419 3.081 20 30 CGEDMO CC(C)CCN(CCC#N)C(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000412166471 392996589 /nfs/dbraw/zinc/99/65/89/392996589.db2.gz FVCRBEMGNDCXAW-XHSDSOJGSA-N 1 1 293.455 3.036 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000342829062 393008193 /nfs/dbraw/zinc/00/81/93/393008193.db2.gz ZNLPKWUTVVEKNZ-MSOLQXFVSA-N 1 1 287.403 3.395 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000546125365 393033560 /nfs/dbraw/zinc/03/35/60/393033560.db2.gz HFHQSDXSWYXELZ-CYBMUJFWSA-N 1 1 272.392 3.435 20 30 CGEDMO N#CC1(F)CC[NH+](Cc2ccc(OCC(F)F)cc2)CC1 ZINC000348708835 393128982 /nfs/dbraw/zinc/12/89/82/393128982.db2.gz LPKZCSGXAZCLJG-UHFFFAOYSA-N 1 1 298.308 3.158 20 30 CGEDMO CC(C)Oc1ccc(C[N@H+](C)CC(C)(C)C#N)cc1 ZINC000258863030 393137820 /nfs/dbraw/zinc/13/78/20/393137820.db2.gz FQRMZQXLKDWCRX-UHFFFAOYSA-N 1 1 260.381 3.455 20 30 CGEDMO CC(C)Oc1ccc(C[N@@H+](C)CC(C)(C)C#N)cc1 ZINC000258863030 393137823 /nfs/dbraw/zinc/13/78/23/393137823.db2.gz FQRMZQXLKDWCRX-UHFFFAOYSA-N 1 1 260.381 3.455 20 30 CGEDMO COC(C)(C)C[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000548157988 393183121 /nfs/dbraw/zinc/18/31/21/393183121.db2.gz DBQMGHCMJYMBDD-UHFFFAOYSA-N 1 1 266.772 3.068 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCS[C@H](c3ccccc3)C2)nc1 ZINC000593958231 393207786 /nfs/dbraw/zinc/20/77/86/393207786.db2.gz RHSHQIAWMATEPV-KRWDZBQOSA-N 1 1 295.411 3.243 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCS[C@H](c3ccccc3)C2)nc1 ZINC000593958231 393207796 /nfs/dbraw/zinc/20/77/96/393207796.db2.gz RHSHQIAWMATEPV-KRWDZBQOSA-N 1 1 295.411 3.243 20 30 CGEDMO CC(C)c1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)[nH]1 ZINC000271908165 393256052 /nfs/dbraw/zinc/25/60/52/393256052.db2.gz XFICFAQBWJYVAY-NWDGAFQWSA-N 1 1 283.379 3.212 20 30 CGEDMO C=CC[N@@H+](C)[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000355273038 393285247 /nfs/dbraw/zinc/28/52/47/393285247.db2.gz HTVZAQGTTOBZDQ-ZDUSSCGKSA-N 1 1 299.201 3.217 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000355273038 393285251 /nfs/dbraw/zinc/28/52/51/393285251.db2.gz HTVZAQGTTOBZDQ-ZDUSSCGKSA-N 1 1 299.201 3.217 20 30 CGEDMO CO[C@@]1(C)CCC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000279299476 393332899 /nfs/dbraw/zinc/33/28/99/393332899.db2.gz LZRQSYWGZSNHMX-CJNGLKHVSA-N 1 1 258.365 3.120 20 30 CGEDMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CCOc1cccc(C#N)c1 ZINC000470953809 393269624 /nfs/dbraw/zinc/26/96/24/393269624.db2.gz SNUNMYVMMRSEQU-SMDDNHRTSA-N 1 1 298.308 3.210 20 30 CGEDMO C=CC[N@H+](CC[S@@](=O)c1ccccc1)Cc1ccccc1 ZINC000355265499 393281945 /nfs/dbraw/zinc/28/19/45/393281945.db2.gz BLHGXCSFFCNKGI-OAQYLSRUSA-N 1 1 299.439 3.482 20 30 CGEDMO C=CC[N@@H+](CC[S@@](=O)c1ccccc1)Cc1ccccc1 ZINC000355265499 393281954 /nfs/dbraw/zinc/28/19/54/393281954.db2.gz BLHGXCSFFCNKGI-OAQYLSRUSA-N 1 1 299.439 3.482 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000649251956 393386019 /nfs/dbraw/zinc/38/60/19/393386019.db2.gz LQHKTGTYJMZCCQ-HNNXBMFYSA-N 1 1 259.397 3.321 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)n1 ZINC000356190229 393374806 /nfs/dbraw/zinc/37/48/06/393374806.db2.gz HIGZQPNKIPREQC-OAHLLOKOSA-N 1 1 297.427 3.469 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@H](Cc3ccccc3)C2)n1 ZINC000356190229 393374811 /nfs/dbraw/zinc/37/48/11/393374811.db2.gz HIGZQPNKIPREQC-OAHLLOKOSA-N 1 1 297.427 3.469 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000649406419 393413228 /nfs/dbraw/zinc/41/32/28/393413228.db2.gz KZXABHGGFFDWCH-INIZCTEOSA-N 1 1 277.795 3.366 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000649406419 393413232 /nfs/dbraw/zinc/41/32/32/393413232.db2.gz KZXABHGGFFDWCH-INIZCTEOSA-N 1 1 277.795 3.366 20 30 CGEDMO Cc1ccc([C@@]2(C)CC[N@H+](Cc3nc(C#N)cs3)C2)cc1 ZINC000356430624 393442214 /nfs/dbraw/zinc/44/22/14/393442214.db2.gz RFMGDFNIJSUCLC-KRWDZBQOSA-N 1 1 297.427 3.487 20 30 CGEDMO Cc1ccc([C@@]2(C)CC[N@@H+](Cc3nc(C#N)cs3)C2)cc1 ZINC000356430624 393442216 /nfs/dbraw/zinc/44/22/16/393442216.db2.gz RFMGDFNIJSUCLC-KRWDZBQOSA-N 1 1 297.427 3.487 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000427001396 393452628 /nfs/dbraw/zinc/45/26/28/393452628.db2.gz SJKZDCDXMJYMJK-HNNXBMFYSA-N 1 1 292.810 3.343 20 30 CGEDMO CCN1CC[C@H]([N@H+](C)Cc2ccc(C#N)c(C)c2)[C@@H](C)C1 ZINC000488119321 393461175 /nfs/dbraw/zinc/46/11/75/393461175.db2.gz SMBYJYUHGYVYNY-YJBOKZPZSA-N 1 1 285.435 3.029 20 30 CGEDMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(C#N)c(C)c2)[C@@H](C)C1 ZINC000488119321 393461181 /nfs/dbraw/zinc/46/11/81/393461181.db2.gz SMBYJYUHGYVYNY-YJBOKZPZSA-N 1 1 285.435 3.029 20 30 CGEDMO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(C#N)c(C)c2)[C@@H](C)C1 ZINC000488119321 393461183 /nfs/dbraw/zinc/46/11/83/393461183.db2.gz SMBYJYUHGYVYNY-YJBOKZPZSA-N 1 1 285.435 3.029 20 30 CGEDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(C#N)c(C)c2)[C@@H](C)C1 ZINC000488119321 393461188 /nfs/dbraw/zinc/46/11/88/393461188.db2.gz SMBYJYUHGYVYNY-YJBOKZPZSA-N 1 1 285.435 3.029 20 30 CGEDMO Cc1csc([C@H](C)[NH2+]Cc2ccc(C#N)c(C)c2)n1 ZINC000488308995 393484805 /nfs/dbraw/zinc/48/48/05/393484805.db2.gz CUTDPPLUPIAOSB-LBPRGKRZSA-N 1 1 271.389 3.482 20 30 CGEDMO C=CC[C@H]1[N@@H+](CCc2cncc(C)n2)CCCC1(C)C ZINC000649594109 393507033 /nfs/dbraw/zinc/50/70/33/393507033.db2.gz OPLGKHYFSNJVGL-MRXNPFEDSA-N 1 1 273.424 3.394 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1F)C1CC(OC(C)(C)C)C1 ZINC000420986324 393565594 /nfs/dbraw/zinc/56/55/94/393565594.db2.gz LOYMUNTVPIIRCI-UHFFFAOYSA-N 1 1 290.382 3.475 20 30 CGEDMO C[N@H+](Cc1ccc(F)cc1C#N)C1CC(OC(C)(C)C)C1 ZINC000421002614 393569697 /nfs/dbraw/zinc/56/96/97/393569697.db2.gz GLRLQHMYUNRJNL-UHFFFAOYSA-N 1 1 290.382 3.475 20 30 CGEDMO C[N@@H+](Cc1ccc(F)cc1C#N)C1CC(OC(C)(C)C)C1 ZINC000421002614 393569701 /nfs/dbraw/zinc/56/97/01/393569701.db2.gz GLRLQHMYUNRJNL-UHFFFAOYSA-N 1 1 290.382 3.475 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)ccc1OC ZINC000489433509 393597127 /nfs/dbraw/zinc/59/71/27/393597127.db2.gz HONKGZNFUIOHQM-OAHLLOKOSA-N 1 1 256.349 3.107 20 30 CGEDMO CCCC[C@@H](C[NH3+])N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000423303436 393660594 /nfs/dbraw/zinc/66/05/94/393660594.db2.gz XBWRFNJHFBLWSF-FUHWJXTLSA-N 1 1 285.435 3.433 20 30 CGEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)CC1(C)COC1 ZINC000441526752 393737657 /nfs/dbraw/zinc/73/76/57/393737657.db2.gz TZGJQBWSWVEHMH-UHFFFAOYSA-N 1 1 272.392 3.053 20 30 CGEDMO CC(C)C[N@@H+](C)Cc1cc(C#N)ccc1Br ZINC000492559615 393753723 /nfs/dbraw/zinc/75/37/23/393753723.db2.gz NRIRQOPKBCZYLB-UHFFFAOYSA-N 1 1 281.197 3.409 20 30 CGEDMO Cc1cc(CNCC[N@@H+]2[C@H](C)CCC[C@@H]2C)ccc1C#N ZINC000443970421 393779374 /nfs/dbraw/zinc/77/93/74/393779374.db2.gz ICSISJVMCXAQTH-IYBDPMFKSA-N 1 1 285.435 3.219 20 30 CGEDMO Cc1cc(C[NH2+]CCN2[C@H](C)CCC[C@@H]2C)ccc1C#N ZINC000443970421 393779376 /nfs/dbraw/zinc/77/93/76/393779376.db2.gz ICSISJVMCXAQTH-IYBDPMFKSA-N 1 1 285.435 3.219 20 30 CGEDMO Cc1cc(C[NH2+][C@H](C)CN2CCCCCC2)ccc1C#N ZINC000444000099 393782300 /nfs/dbraw/zinc/78/23/00/393782300.db2.gz COYCGFPNMONAQG-MRXNPFEDSA-N 1 1 285.435 3.221 20 30 CGEDMO CN1CCC[C@H]([NH2+]Cc2nc(C#N)cs2)c2ccccc21 ZINC000449647536 393933917 /nfs/dbraw/zinc/93/39/17/393933917.db2.gz DUJSDUBNACWVGC-AWEZNQCLSA-N 1 1 298.415 3.076 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2ncc(CC)s2)C1 ZINC000668493080 543021053 /nfs/dbraw/zinc/02/10/53/543021053.db2.gz JVXLMYGQFJAEMX-LBPRGKRZSA-N 1 1 250.411 3.494 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000668493570 543019972 /nfs/dbraw/zinc/01/99/72/543019972.db2.gz PCBCZEMNCXQOSS-AWEZNQCLSA-N 1 1 275.392 3.492 20 30 CGEDMO C=CCCc1ccccc1NC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000669727323 543122579 /nfs/dbraw/zinc/12/25/79/543122579.db2.gz AGQFMOZCQFSTTR-OAHLLOKOSA-N 1 1 287.407 3.021 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000671715838 543180347 /nfs/dbraw/zinc/18/03/47/543180347.db2.gz QRRQPDVGUUYUMF-KBPBESRZSA-N 1 1 251.757 3.024 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000671715838 543180349 /nfs/dbraw/zinc/18/03/49/543180349.db2.gz QRRQPDVGUUYUMF-KBPBESRZSA-N 1 1 251.757 3.024 20 30 CGEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1C[C@@H]1C ZINC000488303449 397707265 /nfs/dbraw/zinc/70/72/65/397707265.db2.gz UUXDQXATBMWOPR-JSGCOSHPSA-N 1 1 260.337 3.239 20 30 CGEDMO Cc1ccc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)o1 ZINC000619748605 397714744 /nfs/dbraw/zinc/71/47/44/397714744.db2.gz JRYFZJYSHMYUGD-UHFFFAOYSA-N 1 1 260.724 3.403 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cnnn1-c1ccccc1 ZINC000676188638 543385587 /nfs/dbraw/zinc/38/55/87/543385587.db2.gz SFIGVSCCHTYDAU-UHFFFAOYSA-N 1 1 284.407 3.446 20 30 CGEDMO C=C(C)[C@@H](CO)[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000677046787 543427570 /nfs/dbraw/zinc/42/75/70/543427570.db2.gz JJPYVOPXJKFXMM-CYBMUJFWSA-N 1 1 273.298 3.074 20 30 CGEDMO COCC#CC[N@H+]1CCCCC[C@@H]1c1ccc(C)o1 ZINC000677133213 543435777 /nfs/dbraw/zinc/43/57/77/543435777.db2.gz NFQBMMJWTNOYFD-OAHLLOKOSA-N 1 1 261.365 3.155 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C[C@H](C)CO)C(C)(C)C)cc1 ZINC000678044121 543478837 /nfs/dbraw/zinc/47/88/37/543478837.db2.gz MCFCMXFGLZOZAW-HNNXBMFYSA-N 1 1 291.435 3.480 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)CC2=CCCOC2)cc1 ZINC000678123176 543485704 /nfs/dbraw/zinc/48/57/04/543485704.db2.gz LJMJJELFKYXQKF-UHFFFAOYSA-N 1 1 273.376 3.030 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCCOC(C)(C)C2)cc1 ZINC000678271831 543507691 /nfs/dbraw/zinc/50/76/91/543507691.db2.gz KBZCISVKYVWSHV-UHFFFAOYSA-N 1 1 275.392 3.252 20 30 CGEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2ccc(C)nc2C)CC1 ZINC000678420959 543523895 /nfs/dbraw/zinc/52/38/95/543523895.db2.gz GDEKDTBMTSOYFF-MRXNPFEDSA-N 1 1 287.451 3.390 20 30 CGEDMO C[N@@H+](CCOc1ccc(C#N)cc1)CCc1cccs1 ZINC000075965804 287030415 /nfs/dbraw/zinc/03/04/15/287030415.db2.gz WBRRGUVICSDGIG-UHFFFAOYSA-N 1 1 286.400 3.173 20 30 CGEDMO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1nccs1 ZINC000080266760 287064229 /nfs/dbraw/zinc/06/42/29/287064229.db2.gz UDXWHTPIVYNGKU-QWRGUYRKSA-N 1 1 257.362 3.427 20 30 CGEDMO CC(C)[C@@H]1CCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000088836941 165195129 /nfs/dbraw/zinc/19/51/29/165195129.db2.gz JMRXFBBSZMZMJC-INIZCTEOSA-N 1 1 285.391 3.007 20 30 CGEDMO C[C@H]1C[C@@H](Nc2ccc(C#N)c(Cl)c2)CC[N@H+]1C ZINC000090795123 165244143 /nfs/dbraw/zinc/24/41/43/165244143.db2.gz QUKCIGFUAVGANC-GWCFXTLKSA-N 1 1 263.772 3.106 20 30 CGEDMO CC[C@H](CSC)[N@@H+](C)Cc1cc(F)ccc1C#N ZINC000091099559 165257602 /nfs/dbraw/zinc/25/76/02/165257602.db2.gz FCLLFTRAKGQEHM-CQSZACIVSA-N 1 1 266.385 3.271 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)o1)[C@@H](C)c1cccc(O)c1 ZINC000091975003 165279965 /nfs/dbraw/zinc/27/99/65/165279965.db2.gz JXZRYEJCMBUZMS-LBPRGKRZSA-N 1 1 270.332 3.440 20 30 CGEDMO N#Cc1ccc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000096474207 165398699 /nfs/dbraw/zinc/39/86/99/165398699.db2.gz CQWNTUGDXAUFJS-ZIAGYGMSSA-N 1 1 275.783 3.250 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)cc1 ZINC000285215783 196224187 /nfs/dbraw/zinc/22/41/87/196224187.db2.gz AEISBIXUFYPWLY-INIZCTEOSA-N 1 1 266.348 3.009 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)cc1 ZINC000285215783 196224188 /nfs/dbraw/zinc/22/41/88/196224188.db2.gz AEISBIXUFYPWLY-INIZCTEOSA-N 1 1 266.348 3.009 20 30 CGEDMO C[N@@H+](CC[C@@H](O)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000285335016 196253786 /nfs/dbraw/zinc/25/37/86/196253786.db2.gz XXWGBXQTPINMEP-GOSISDBHSA-N 1 1 280.371 3.114 20 30 CGEDMO C[C@H](CN[C@H](C)c1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000038028471 174017631 /nfs/dbraw/zinc/01/76/31/174017631.db2.gz DCHPXQDIQLSCTQ-HUUCEWRRSA-N 1 1 271.408 3.083 20 30 CGEDMO C[C@H](CN[C@H](C)c1ccc(C#N)cc1)C[NH+]1CCCCC1 ZINC000038041727 174043276 /nfs/dbraw/zinc/04/32/76/174043276.db2.gz GCBCZNYVSYKEIN-HZPDHXFCSA-N 1 1 285.435 3.331 20 30 CGEDMO Cc1csc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2)n1 ZINC000069168315 175820463 /nfs/dbraw/zinc/82/04/63/175820463.db2.gz ZWVKELYALIBLRR-LLVKDONJSA-N 1 1 257.362 3.174 20 30 CGEDMO CCC(C)(C)[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000069433124 175829597 /nfs/dbraw/zinc/82/95/97/175829597.db2.gz DJAPIEQOGZGMGF-UHFFFAOYSA-N 1 1 273.380 3.007 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000679540443 543643959 /nfs/dbraw/zinc/64/39/59/543643959.db2.gz MCVMYAXMGDZDGW-JKSUJKDBSA-N 1 1 257.377 3.189 20 30 CGEDMO CO[C@@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)CC1 ZINC000679952583 543670224 /nfs/dbraw/zinc/67/02/24/543670224.db2.gz ALFSJJZIISLJGP-OAHLLOKOSA-N 1 1 277.795 3.192 20 30 CGEDMO CCC#C[C@@H](C)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000680900578 543745081 /nfs/dbraw/zinc/74/50/81/543745081.db2.gz TWGWSTYQIKWRFK-HUUCEWRRSA-N 1 1 276.449 3.229 20 30 CGEDMO CCC#C[C@H](C)[NH2+][C@H](COCC(C)C)c1ccco1 ZINC000680391271 543707807 /nfs/dbraw/zinc/70/78/07/543707807.db2.gz IEGSFZGTMBJIFC-LSDHHAIUSA-N 1 1 263.381 3.385 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000130443948 287355575 /nfs/dbraw/zinc/35/55/75/287355575.db2.gz NOYUBQLKTQZDKI-LBPRGKRZSA-N 1 1 260.381 3.433 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CN(CC)c2ccccc2O1 ZINC000681398604 543786711 /nfs/dbraw/zinc/78/67/11/543786711.db2.gz LJNNDZZGXPYTEA-HNNXBMFYSA-N 1 1 274.408 3.172 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000681480376 543790008 /nfs/dbraw/zinc/79/00/08/543790008.db2.gz ZZHJZVUGUMCOQR-YJBOKZPZSA-N 1 1 269.388 3.310 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@]2(C1)c1ccccc1NC2=O ZINC000681698272 543802993 /nfs/dbraw/zinc/80/29/93/543802993.db2.gz COGYMYKMYBQJOH-KDOFPFPSSA-N 1 1 284.403 3.327 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cccc2c[nH]nc21 ZINC000130759966 287362390 /nfs/dbraw/zinc/36/23/90/287362390.db2.gz QJVJDQXIRKQJJD-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO Cc1nccc([C@@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)n1 ZINC000683005185 543887444 /nfs/dbraw/zinc/88/74/44/543887444.db2.gz OQNKFPDIHQMLNG-GOSISDBHSA-N 1 1 291.398 3.016 20 30 CGEDMO C=CC[N@H+](CCCC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000683889632 543950714 /nfs/dbraw/zinc/95/07/14/543950714.db2.gz ORDNUNSLLCUDJN-MRXNPFEDSA-N 1 1 299.480 3.022 20 30 CGEDMO C=CC[N@@H+](CCCC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000683889632 543950715 /nfs/dbraw/zinc/95/07/15/543950715.db2.gz ORDNUNSLLCUDJN-MRXNPFEDSA-N 1 1 299.480 3.022 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCCC#N)[C@H](C)CN1Cc1ccccc1 ZINC000347586651 226208554 /nfs/dbraw/zinc/20/85/54/226208554.db2.gz VENGWJAHISCBTM-IAGOWNOFSA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1CCCCC#N ZINC000347586651 226208558 /nfs/dbraw/zinc/20/85/58/226208558.db2.gz VENGWJAHISCBTM-IAGOWNOFSA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1CCCCC#N ZINC000347586651 226208562 /nfs/dbraw/zinc/20/85/62/226208562.db2.gz VENGWJAHISCBTM-IAGOWNOFSA-N 1 1 285.435 3.275 20 30 CGEDMO C=CCCn1cc(C[N@H+]2CCC3(C2)CCCCC3)nn1 ZINC000653559785 419047570 /nfs/dbraw/zinc/04/75/70/419047570.db2.gz SZULIUUQIJONRP-UHFFFAOYSA-N 1 1 274.412 3.010 20 30 CGEDMO C=CC[N@H+](CCCC(=O)NCC(C)C)Cc1ccccc1 ZINC000659823652 419001815 /nfs/dbraw/zinc/00/18/15/419001815.db2.gz SYZOJDPGTRMBBY-UHFFFAOYSA-N 1 1 288.435 3.227 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC[C@@H]1Sc2ccccc2NC1=O ZINC000659829040 419004531 /nfs/dbraw/zinc/00/45/31/419004531.db2.gz KOCWSRGDJQOTOB-HNNXBMFYSA-N 1 1 290.432 3.388 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)[C@H]1COC(C)(C)C1 ZINC000659849467 419011474 /nfs/dbraw/zinc/01/14/74/419011474.db2.gz PBUXXOFGSODJEB-OAHLLOKOSA-N 1 1 275.392 3.251 20 30 CGEDMO CC(C)n1cc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2F)cn1 ZINC000151160070 287507922 /nfs/dbraw/zinc/50/79/22/287507922.db2.gz FBBIANZVESLQKV-GFCCVEGCSA-N 1 1 286.354 3.326 20 30 CGEDMO C=CCCn1cc(C[N@H+](C(C)C)C2CCCC2)nn1 ZINC000653578062 419053716 /nfs/dbraw/zinc/05/37/16/419053716.db2.gz SCWBCPPNHOWDJH-UHFFFAOYSA-N 1 1 262.401 3.007 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@@H](c2ccccc2)C2CC2)nn1 ZINC000653608172 419057807 /nfs/dbraw/zinc/05/78/07/419057807.db2.gz HMDVQXMKRZOHSN-KRWDZBQOSA-N 1 1 282.391 3.095 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@@H](C)c2ccc(C)cc2)nn1 ZINC000653599275 419058248 /nfs/dbraw/zinc/05/82/48/419058248.db2.gz FYTXDSBPVODPSJ-AWEZNQCLSA-N 1 1 270.380 3.013 20 30 CGEDMO CC(=O)c1ccc(C#N)c(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000656224816 419154471 /nfs/dbraw/zinc/15/44/71/419154471.db2.gz AAZPTFLNKJGCNK-AEFFLSMTSA-N 1 1 297.402 3.190 20 30 CGEDMO C=CCCC[NH+]1CCC(NCc2ccccc2)CC1 ZINC000660679389 419182444 /nfs/dbraw/zinc/18/24/44/419182444.db2.gz OXDLPITZTARGKM-UHFFFAOYSA-N 1 1 258.409 3.207 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC)c(Cl)c1)[C@H](C)COC ZINC000661239512 419243582 /nfs/dbraw/zinc/24/35/82/419243582.db2.gz HNDCXCANTAKOEE-GFCCVEGCSA-N 1 1 283.799 3.372 20 30 CGEDMO C=CC[N@@H+](C[C@@H](C)c1ccc(OC)cc1)[C@@H](C)COC ZINC000661240767 419243679 /nfs/dbraw/zinc/24/36/79/419243679.db2.gz TZSBVZPZPLFCPR-CABCVRRESA-N 1 1 277.408 3.322 20 30 CGEDMO C=CC[N@H+](CCCCC(F)(F)F)[C@@H](C)COC ZINC000661240123 419243798 /nfs/dbraw/zinc/24/37/98/419243798.db2.gz LXOVHZHAMCOACK-NSHDSACASA-N 1 1 253.308 3.242 20 30 CGEDMO C=CCCn1cc(C[NH2+]Cc2ccc(C(C)(C)C)cc2)nn1 ZINC000657336285 419253791 /nfs/dbraw/zinc/25/37/91/419253791.db2.gz PFYYJKISTZXWBT-UHFFFAOYSA-N 1 1 298.434 3.442 20 30 CGEDMO C[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)[C@H]1CCO ZINC000661502023 419267180 /nfs/dbraw/zinc/26/71/80/419267180.db2.gz YXTYEELBUPQNEO-YOEHRIQHSA-N 1 1 291.822 3.174 20 30 CGEDMO C=CCN1CC[C@H]([N@H+](Cc2ccsc2)C(C)(C)C)C1=O ZINC000661135799 419234772 /nfs/dbraw/zinc/23/47/72/419234772.db2.gz KGSWMUJVVNLCKN-AWEZNQCLSA-N 1 1 292.448 3.136 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccc(OC)c(F)c1 ZINC000661657620 419283529 /nfs/dbraw/zinc/28/35/29/419283529.db2.gz BZTLTDKQGKUZEE-ZBFHGGJFSA-N 1 1 293.382 3.298 20 30 CGEDMO C=CCC1([NH2+]Cc2nnsc2Cl)CCCC1 ZINC000661849840 419304279 /nfs/dbraw/zinc/30/42/79/419304279.db2.gz HWFPEWQIVQXSTO-UHFFFAOYSA-N 1 1 257.790 3.170 20 30 CGEDMO C[C@@H]1C[NH+](Cc2ccccc2C(C)(C)C#N)C[C@@H](C)C1=O ZINC000661549160 419270729 /nfs/dbraw/zinc/27/07/29/419270729.db2.gz MICNCDYPKLJASE-ZIAGYGMSSA-N 1 1 284.403 3.145 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1nc(C2CC2)no1 ZINC000662079205 419333253 /nfs/dbraw/zinc/33/32/53/419333253.db2.gz IFHIYVJXCCQYLT-RTXFEEFZSA-N 1 1 259.353 3.191 20 30 CGEDMO C=CCCn1cc(C[N@@H+](C)C[C@@H]2CCc3ccccc32)nn1 ZINC000662196373 419355774 /nfs/dbraw/zinc/35/57/74/419355774.db2.gz KIYNZPQLVOIOCC-INIZCTEOSA-N 1 1 296.418 3.016 20 30 CGEDMO C=C(C)CCN1CC[N@H+](CCC(=C)C)[C@@H](C)[C@H]1C ZINC000662226213 419367109 /nfs/dbraw/zinc/36/71/09/419367109.db2.gz YFGWHPCIEQQJHT-IYBDPMFKSA-N 1 1 250.430 3.313 20 30 CGEDMO C=C(C)CCN1CC[N@@H+](CCC(=C)C)[C@H](C)[C@@H]1C ZINC000662226213 419367111 /nfs/dbraw/zinc/36/71/11/419367111.db2.gz YFGWHPCIEQQJHT-IYBDPMFKSA-N 1 1 250.430 3.313 20 30 CGEDMO C=C(C)CCN1CC[N@H+](CCC(=C)C)[C@H](C)[C@@H]1C ZINC000662226213 419367112 /nfs/dbraw/zinc/36/71/12/419367112.db2.gz YFGWHPCIEQQJHT-IYBDPMFKSA-N 1 1 250.430 3.313 20 30 CGEDMO C=CCCC(C)(C)NC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000664002366 419793411 /nfs/dbraw/zinc/79/34/11/419793411.db2.gz YOZWAPUCOAQGIH-OAHLLOKOSA-N 1 1 295.471 3.151 20 30 CGEDMO CC(C)[C@@H]1CCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000088836945 260016748 /nfs/dbraw/zinc/01/67/48/260016748.db2.gz MMMLHIPNZHDEBY-KRWDZBQOSA-N 1 1 272.392 3.448 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC000363360209 260135588 /nfs/dbraw/zinc/13/55/88/260135588.db2.gz DZGZKHZIUYYCCG-OAHLLOKOSA-N 1 1 287.407 3.149 20 30 CGEDMO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1CCCCC#N ZINC000066851502 260249167 /nfs/dbraw/zinc/24/91/67/260249167.db2.gz OKRNJQKEQWGZDJ-HOCLYGCPSA-N 1 1 258.365 3.142 20 30 CGEDMO C[C@@H]([NH2+][C@@H](C)CC#N)c1ccc(OC(F)F)cc1 ZINC000068610261 260257014 /nfs/dbraw/zinc/25/70/14/260257014.db2.gz QFEATAZCECRCKV-VHSXEESVSA-N 1 1 254.280 3.241 20 30 CGEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000075021059 260289212 /nfs/dbraw/zinc/28/92/12/260289212.db2.gz FKFFKHHYXMYPJN-IYBDPMFKSA-N 1 1 299.418 3.196 20 30 CGEDMO N#CCSCCC[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000074991430 260289392 /nfs/dbraw/zinc/28/93/92/260289392.db2.gz BEQPASAHGOGJPW-INIZCTEOSA-N 1 1 274.433 3.198 20 30 CGEDMO C=CC[NH+](CC=C)Cc1ccnn1-c1ccccc1 ZINC000448218050 260967794 /nfs/dbraw/zinc/96/77/94/260967794.db2.gz RRCDBWVXZJIAEJ-UHFFFAOYSA-N 1 1 253.349 3.046 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCO[C@H](C(C)(C)C)C2)cc1 ZINC000448369374 261131267 /nfs/dbraw/zinc/13/12/67/261131267.db2.gz ZXHRVTRPOBRUKK-KRWDZBQOSA-N 1 1 289.419 3.498 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000300187898 261181549 /nfs/dbraw/zinc/18/15/49/261181549.db2.gz LKJZEPHMMSFKAE-BZUAXINKSA-N 1 1 278.440 3.332 20 30 CGEDMO CCCOc1cc(C[NH2+][C@@H](CC)CC#N)ccc1OC ZINC000184083878 262008441 /nfs/dbraw/zinc/00/84/41/262008441.db2.gz IKYCLHOZKYYJEZ-AWEZNQCLSA-N 1 1 276.380 3.266 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CC[C@]3(C2)CCCOC3)cc1 ZINC000367440133 262178140 /nfs/dbraw/zinc/17/81/40/262178140.db2.gz ZSAHVLAHHBRBGR-IBGZPJMESA-N 1 1 299.414 3.091 20 30 CGEDMO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccnn1C ZINC000193039204 262215035 /nfs/dbraw/zinc/21/50/35/262215035.db2.gz FBNRBRCBXKAQDH-DZGCQCFKSA-N 1 1 268.364 3.116 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000497933860 262235661 /nfs/dbraw/zinc/23/56/61/262235661.db2.gz MVMFEXLLNPNGSE-HNNXBMFYSA-N 1 1 288.435 3.225 20 30 CGEDMO C=CC1CC[NH+](Cc2ccc(F)cc2C(=O)OC)CC1 ZINC000111257351 262258301 /nfs/dbraw/zinc/25/83/01/262258301.db2.gz QVRBRCRJRKEHAW-UHFFFAOYSA-N 1 1 277.339 3.010 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000494956902 262273367 /nfs/dbraw/zinc/27/33/67/262273367.db2.gz URTZWKQIYQCVIU-ZIAGYGMSSA-N 1 1 282.428 3.188 20 30 CGEDMO C[N@@H+](CCCCC(C)(C)C#N)[C@H](CO)C(C)(C)C ZINC000336783842 262394697 /nfs/dbraw/zinc/39/46/97/262394697.db2.gz GYYXMYWJGAPMLE-CYBMUJFWSA-N 1 1 254.418 3.045 20 30 CGEDMO N#CCCOCC[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000338913391 262570668 /nfs/dbraw/zinc/57/06/68/262570668.db2.gz HNVKTIWXQDDGAS-QGZVFWFLSA-N 1 1 272.392 3.014 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)CCC1(O)CCC1 ZINC000411190593 262682751 /nfs/dbraw/zinc/68/27/51/262682751.db2.gz HXOLBEBWRVXAON-UHFFFAOYSA-N 1 1 259.393 3.022 20 30 CGEDMO Cc1cc(C[N@@H+](C)C[C@@H](C)C#N)cc(C)c1OC(F)F ZINC000271120266 262993155 /nfs/dbraw/zinc/99/31/55/262993155.db2.gz HIQKWPKCVNEJID-JTQLQIEISA-N 1 1 282.334 3.496 20 30 CGEDMO Cc1cc(C[N@H+](C)C[C@@H](C)C#N)cc(C)c1OC(F)F ZINC000271120266 262993156 /nfs/dbraw/zinc/99/31/56/262993156.db2.gz HIQKWPKCVNEJID-JTQLQIEISA-N 1 1 282.334 3.496 20 30 CGEDMO CC(C)(C#N)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000272015133 263001273 /nfs/dbraw/zinc/00/12/73/263001273.db2.gz LGZRPXSAHHFRCX-UHFFFAOYSA-N 1 1 287.363 3.499 20 30 CGEDMO CC(C)(C#N)CC[N@@H+](CCCO)Cc1cccc(Cl)c1 ZINC000272034187 263001367 /nfs/dbraw/zinc/00/13/67/263001367.db2.gz PSYBZQYTKOBFRW-UHFFFAOYSA-N 1 1 294.826 3.464 20 30 CGEDMO C=CC[N@H+](Cc1ccc(N(C)CCC#N)cc1)C1CC1 ZINC000273364789 263015923 /nfs/dbraw/zinc/01/59/23/263015923.db2.gz DBTYYUFCEVMRPI-UHFFFAOYSA-N 1 1 269.392 3.187 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCC[C@@]3(CCSC3)C2)cc1 ZINC000451982742 263019067 /nfs/dbraw/zinc/01/90/67/263019067.db2.gz UBZVHKQWPQRJIA-QGZVFWFLSA-N 1 1 289.419 3.396 20 30 CGEDMO COc1cc(C)c(C[N@@H+](C)[C@@H](C)CCC#N)cc1OC ZINC000276300639 263035542 /nfs/dbraw/zinc/03/55/42/263035542.db2.gz JVRPTVXWNQWGHD-ZDUSSCGKSA-N 1 1 276.380 3.136 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000276310790 263036052 /nfs/dbraw/zinc/03/60/52/263036052.db2.gz MEHRDCHBDZZTIU-HNNXBMFYSA-N 1 1 289.398 3.026 20 30 CGEDMO C[C@@H](CCC#N)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000276310790 263036053 /nfs/dbraw/zinc/03/60/53/263036053.db2.gz MEHRDCHBDZZTIU-HNNXBMFYSA-N 1 1 289.398 3.026 20 30 CGEDMO C[C@@H](CCC#N)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000276310790 263036054 /nfs/dbraw/zinc/03/60/54/263036054.db2.gz MEHRDCHBDZZTIU-HNNXBMFYSA-N 1 1 289.398 3.026 20 30 CGEDMO N#CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000278717545 263049815 /nfs/dbraw/zinc/04/98/15/263049815.db2.gz MAOGFNUFIMJOKM-NNZMDNLPSA-N 1 1 283.419 3.075 20 30 CGEDMO N#CCCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000278717545 263049816 /nfs/dbraw/zinc/04/98/16/263049816.db2.gz MAOGFNUFIMJOKM-NNZMDNLPSA-N 1 1 283.419 3.075 20 30 CGEDMO N#CCCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000278717545 263049817 /nfs/dbraw/zinc/04/98/17/263049817.db2.gz MAOGFNUFIMJOKM-NNZMDNLPSA-N 1 1 283.419 3.075 20 30 CGEDMO CCC[N@@H+](CC)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279438889 263055326 /nfs/dbraw/zinc/05/53/26/263055326.db2.gz RELIMYQPHSKMFN-UHFFFAOYSA-N 1 1 297.406 3.091 20 30 CGEDMO C[N@@H+](CCCC1(C#N)CCOCC1)CCc1ccccc1 ZINC000281924070 263073015 /nfs/dbraw/zinc/07/30/15/263073015.db2.gz HMJJUTYTMDJWTJ-UHFFFAOYSA-N 1 1 286.419 3.261 20 30 CGEDMO N#CCOc1ccc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)cc1 ZINC000285337058 263092306 /nfs/dbraw/zinc/09/23/06/263092306.db2.gz KHTHIBRNQMLYMW-KRWDZBQOSA-N 1 1 296.374 3.039 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)cc1 ZINC000285337058 263092307 /nfs/dbraw/zinc/09/23/07/263092307.db2.gz KHTHIBRNQMLYMW-KRWDZBQOSA-N 1 1 296.374 3.039 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)Cc1coc(-c2ccccc2)n1 ZINC000340208073 263094165 /nfs/dbraw/zinc/09/41/65/263094165.db2.gz BGWJNFJWZQQIEU-UHFFFAOYSA-N 1 1 299.418 3.281 20 30 CGEDMO Cc1[nH+]cn(-c2ccc(NC(=O)CCCC#N)cc2)c1C ZINC000291127442 263120258 /nfs/dbraw/zinc/12/02/58/263120258.db2.gz DPBWYOJSLXRMCF-UHFFFAOYSA-N 1 1 282.347 3.122 20 30 CGEDMO C[C@]1(CCc2ccccc2)CC[N@@H+](CCOCCC#N)C1 ZINC000292709605 263133957 /nfs/dbraw/zinc/13/39/57/263133957.db2.gz DXJMRPDUXUIKNY-SFHVURJKSA-N 1 1 286.419 3.261 20 30 CGEDMO Cc1ccc([C@H]2C[C@H](C)CC[N@H+]2CCOCCC#N)o1 ZINC000292925899 263136511 /nfs/dbraw/zinc/13/65/11/263136511.db2.gz YNLUZVGMEIXUKL-UKRRQHHQSA-N 1 1 276.380 3.291 20 30 CGEDMO COc1ccccc1[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000293009310 263136973 /nfs/dbraw/zinc/13/69/73/263136973.db2.gz HHDJRBYEUBNGNH-KFWWJZLASA-N 1 1 270.376 3.177 20 30 CGEDMO N#CCCOCC[N@@H+](Cc1ccco1)Cc1ccccc1 ZINC000293318176 263139250 /nfs/dbraw/zinc/13/92/50/263139250.db2.gz CEHZDCRQCQDYCN-UHFFFAOYSA-N 1 1 284.359 3.212 20 30 CGEDMO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1[C@@H]1CC[C@H](C#N)C1 ZINC000293482092 263141609 /nfs/dbraw/zinc/14/16/09/263141609.db2.gz FWJZETBLUYEOHJ-JKIFEVAISA-N 1 1 287.382 3.028 20 30 CGEDMO CC[N@H+](CC(=O)Nc1c(C)cccc1C)[C@@H]1CC[C@@H](C#N)C1 ZINC000293906486 263152236 /nfs/dbraw/zinc/15/22/36/263152236.db2.gz WNRUSIJTGQEHTP-HZPDHXFCSA-N 1 1 299.418 3.256 20 30 CGEDMO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)[C@@H]1CC[C@@H](C#N)C1 ZINC000293906486 263152237 /nfs/dbraw/zinc/15/22/37/263152237.db2.gz WNRUSIJTGQEHTP-HZPDHXFCSA-N 1 1 299.418 3.256 20 30 CGEDMO C[C@H](C[N@@H+](C)[C@@H](C)CC#N)c1cc(F)cc(F)c1 ZINC000294779033 263167254 /nfs/dbraw/zinc/16/72/54/263167254.db2.gz JZBIBCIDFLOQEC-MNOVXSKESA-N 1 1 252.308 3.302 20 30 CGEDMO C[C@H](C[N@H+](C)[C@@H](C)CC#N)c1cc(F)cc(F)c1 ZINC000294779033 263167256 /nfs/dbraw/zinc/16/72/56/263167256.db2.gz JZBIBCIDFLOQEC-MNOVXSKESA-N 1 1 252.308 3.302 20 30 CGEDMO C[C@@H](CCC#N)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000298429441 263219427 /nfs/dbraw/zinc/21/94/27/263219427.db2.gz GITINOVRUVTQBE-PKOBYXMFSA-N 1 1 297.446 3.277 20 30 CGEDMO C[C@@H](CCC#N)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000298429441 263219429 /nfs/dbraw/zinc/21/94/29/263219429.db2.gz GITINOVRUVTQBE-PKOBYXMFSA-N 1 1 297.446 3.277 20 30 CGEDMO C[C@@H](CCC#N)[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000298429441 263219432 /nfs/dbraw/zinc/21/94/32/263219432.db2.gz GITINOVRUVTQBE-PKOBYXMFSA-N 1 1 297.446 3.277 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000298429441 263219433 /nfs/dbraw/zinc/21/94/33/263219433.db2.gz GITINOVRUVTQBE-PKOBYXMFSA-N 1 1 297.446 3.277 20 30 CGEDMO C=CCC1(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)CCCC1 ZINC000453390525 263260192 /nfs/dbraw/zinc/26/01/92/263260192.db2.gz YEQCONWUOPMUHJ-HUUCEWRRSA-N 1 1 250.430 3.195 20 30 CGEDMO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C2=CCCCC2)C1 ZINC000330859993 264055279 /nfs/dbraw/zinc/05/52/79/264055279.db2.gz KLGFHNUGUPNYRK-CQSZACIVSA-N 1 1 293.411 3.081 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cncn1C(C)C ZINC000425361476 264148056 /nfs/dbraw/zinc/14/80/56/264148056.db2.gz UDQPFDBSPFOECK-UHFFFAOYSA-N 1 1 273.380 3.288 20 30 CGEDMO C=C(Br)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000128663585 264303425 /nfs/dbraw/zinc/30/34/25/264303425.db2.gz MLIXOHWYWDTFCJ-SECBINFHSA-N 1 1 285.141 3.154 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)C2CCC2)cc1OC ZINC000093475828 264507895 /nfs/dbraw/zinc/50/78/95/264507895.db2.gz TUTMQUVOJRJOQZ-UHFFFAOYSA-N 1 1 261.365 3.244 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000293732263 264974433 /nfs/dbraw/zinc/97/44/33/264974433.db2.gz GSMHJJMXBRGUTR-MRXNPFEDSA-N 1 1 291.366 3.066 20 30 CGEDMO C[N@@H+](CCc1ccccc1)Cc1cc(C#N)ccc1F ZINC000042146468 270031586 /nfs/dbraw/zinc/03/15/86/270031586.db2.gz ABZFBWZMRBNPTJ-UHFFFAOYSA-N 1 1 268.335 3.372 20 30 CGEDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)CCOc1ccccc1C#N ZINC000042278399 270032346 /nfs/dbraw/zinc/03/23/46/270032346.db2.gz ODHSKGIIUDYUCX-ZBFHGGJFSA-N 1 1 272.392 3.448 20 30 CGEDMO C[C@@H]1CC[N@H+](Cc2ccc(F)cc2C#N)CCS1 ZINC000192177511 270077046 /nfs/dbraw/zinc/07/70/46/270077046.db2.gz CIIVSHSBNCUNPR-LLVKDONJSA-N 1 1 264.369 3.025 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)CCS1 ZINC000192177511 270077047 /nfs/dbraw/zinc/07/70/47/270077047.db2.gz CIIVSHSBNCUNPR-LLVKDONJSA-N 1 1 264.369 3.025 20 30 CGEDMO C=CCCC1(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000356252353 266081079 /nfs/dbraw/zinc/08/10/79/266081079.db2.gz VAYHQZWGWJWXRM-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCCC1(C(=O)N2CCC(n3c[nH+]cc3C)CC2)CC1 ZINC000356304099 266092792 /nfs/dbraw/zinc/09/27/92/266092792.db2.gz UHZVQIVQOYUWSH-UHFFFAOYSA-N 1 1 287.407 3.101 20 30 CGEDMO C=CCOc1ccc(C[N@H+](CCO)[C@@H]2CC[C@@H](C)C2)cc1 ZINC000356365863 266102815 /nfs/dbraw/zinc/10/28/15/266102815.db2.gz NSMOUAIQACULLA-NVXWUHKLSA-N 1 1 289.419 3.234 20 30 CGEDMO CC(C)(C)[C@H]1CCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000525273941 270118960 /nfs/dbraw/zinc/11/89/60/270118960.db2.gz OLKJAMBQJPIYSI-MRXNPFEDSA-N 1 1 272.392 3.448 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000361643244 266862733 /nfs/dbraw/zinc/86/27/33/266862733.db2.gz MBEWXVWTEGOPCI-UHFFFAOYSA-N 1 1 291.288 3.479 20 30 CGEDMO C[C@H](CN1CCCCCC1)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000186727028 267156240 /nfs/dbraw/zinc/15/62/40/267156240.db2.gz NTYZEFCHVLVQJH-HZPDHXFCSA-N 1 1 285.435 3.473 20 30 CGEDMO C[C@H]1CCC[C@H](C)[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000125182686 267214613 /nfs/dbraw/zinc/21/46/13/267214613.db2.gz XZYMMBYJMWFUQK-GJZGRUSLSA-N 1 1 299.418 3.397 20 30 CGEDMO CC#CCCCC(=O)Nc1cccc2c1C[N@H+](C1CC1)C2 ZINC000369938529 267278310 /nfs/dbraw/zinc/27/83/10/267278310.db2.gz FUXSGCZVVQHOAX-UHFFFAOYSA-N 1 1 282.387 3.297 20 30 CGEDMO C[C@@H]1CCN(Cc2ccccc2)CC[N@H+]1CCCCC#N ZINC000370014006 267284231 /nfs/dbraw/zinc/28/42/31/267284231.db2.gz XRCMMUNHEARMFR-QGZVFWFLSA-N 1 1 285.435 3.277 20 30 CGEDMO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1CCCCC#N ZINC000370014006 267284232 /nfs/dbraw/zinc/28/42/32/267284232.db2.gz XRCMMUNHEARMFR-QGZVFWFLSA-N 1 1 285.435 3.277 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1CCCCC#N ZINC000370014006 267284235 /nfs/dbraw/zinc/28/42/35/267284235.db2.gz XRCMMUNHEARMFR-QGZVFWFLSA-N 1 1 285.435 3.277 20 30 CGEDMO C#CCC[N@@H+]1CC=C(c2c[nH]c3ccc(OC)cc32)CC1 ZINC000371187172 267362021 /nfs/dbraw/zinc/36/20/21/267362021.db2.gz AQGYPZJIGCHYFQ-UHFFFAOYSA-N 1 1 280.371 3.289 20 30 CGEDMO N#CC1(C[NH2+]C/C=C\c2ccc(F)c(F)c2)CCC1 ZINC000418141526 267363719 /nfs/dbraw/zinc/36/37/19/267363719.db2.gz LEAKFLJCBWCTRA-IWQZZHSRSA-N 1 1 262.303 3.261 20 30 CGEDMO CC(C)Cc1ncc(C[NH2+]CC2(C#N)CCC2)s1 ZINC000418143427 267365382 /nfs/dbraw/zinc/36/53/82/267365382.db2.gz PKTGECKUBSZDLZ-UHFFFAOYSA-N 1 1 263.410 3.125 20 30 CGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NCC2(C#N)CCC2)C1 ZINC000418136587 267368801 /nfs/dbraw/zinc/36/88/01/267368801.db2.gz CONZLHHCTNZWCG-WBVHZDCISA-N 1 1 283.419 3.105 20 30 CGEDMO C[C@H](c1ccccc1)N1CC[C@H]([NH2+]CC2(C#N)CCC2)C1 ZINC000418136587 267368806 /nfs/dbraw/zinc/36/88/06/267368806.db2.gz CONZLHHCTNZWCG-WBVHZDCISA-N 1 1 283.419 3.105 20 30 CGEDMO C[C@@H]1CC(F)(F)CC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000528763735 270171550 /nfs/dbraw/zinc/17/15/50/270171550.db2.gz BMZGZILQCHOUES-CYBMUJFWSA-N 1 1 294.345 3.447 20 30 CGEDMO C[C@@H]1CCC[C@H](C)[N@H+]1CCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353411063 274296162 /nfs/dbraw/zinc/29/61/62/274296162.db2.gz JIPVIMVTJUHTSD-ZRGWGRIASA-N 1 1 297.446 3.398 20 30 CGEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353411063 274296165 /nfs/dbraw/zinc/29/61/65/274296165.db2.gz JIPVIMVTJUHTSD-ZRGWGRIASA-N 1 1 297.446 3.398 20 30 CGEDMO C#CCCC[N@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000271004129 275379410 /nfs/dbraw/zinc/37/94/10/275379410.db2.gz GSNCTIWWWRAERG-SFHVURJKSA-N 1 1 264.372 3.307 20 30 CGEDMO CC[N@H+]1CCN(Cc2ccccc2C(C)(C)C#N)[C@@H](C)C1 ZINC000352669213 276196969 /nfs/dbraw/zinc/19/69/69/276196969.db2.gz YBBMBAHJRDKGPP-HNNXBMFYSA-N 1 1 285.435 3.014 20 30 CGEDMO CCN1CC[N@H+](Cc2ccccc2C(C)(C)C#N)[C@@H](C)C1 ZINC000352669213 276196970 /nfs/dbraw/zinc/19/69/70/276196970.db2.gz YBBMBAHJRDKGPP-HNNXBMFYSA-N 1 1 285.435 3.014 20 30 CGEDMO CCN1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@@H](C)C1 ZINC000352669213 276196971 /nfs/dbraw/zinc/19/69/71/276196971.db2.gz YBBMBAHJRDKGPP-HNNXBMFYSA-N 1 1 285.435 3.014 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000335304466 277121589 /nfs/dbraw/zinc/12/15/89/277121589.db2.gz GGBQJTQLEFKVHC-SJLPKXTDSA-N 1 1 298.430 3.489 20 30 CGEDMO Cc1ccc2c(c1)[C@H]([NH2+]Cc1nc(C#N)cs1)[C@@H](C)C2 ZINC000352794811 281121737 /nfs/dbraw/zinc/12/17/37/281121737.db2.gz IHVHBYFFNSMKLY-MEDUHNTESA-N 1 1 283.400 3.346 20 30 CGEDMO CC[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1cc(F)ccc1F ZINC000554365484 289275972 /nfs/dbraw/zinc/27/59/72/289275972.db2.gz LIHXKDHZRZBPQS-MRXNPFEDSA-N 1 1 287.313 3.472 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000292141318 290219781 /nfs/dbraw/zinc/21/97/81/290219781.db2.gz MLKDVRFEAUZISU-KDOFPFPSSA-N 1 1 284.403 3.368 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCSC3(CCCCC3)C2)C1 ZINC000335794003 303160199 /nfs/dbraw/zinc/16/01/99/303160199.db2.gz TYQOVVUCMJPJDL-ZIAGYGMSSA-N 1 1 264.438 3.430 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cc2ccccc2nc1OC ZINC000534334672 328048744 /nfs/dbraw/zinc/04/87/44/328048744.db2.gz JUXGSLDJBJYIOB-UHFFFAOYSA-N 1 1 268.360 3.417 20 30 CGEDMO CCCCCCC[N@@H+]1CCn2c(nnc2C(C)C)C1 ZINC000377782815 329029133 /nfs/dbraw/zinc/02/91/33/329029133.db2.gz MVIXFKLDQJFCJR-UHFFFAOYSA-N 1 1 264.417 3.188 20 30 CGEDMO CCCCCCC[N@H+]1CCn2c(nnc2C(C)C)C1 ZINC000377782815 329029134 /nfs/dbraw/zinc/02/91/34/329029134.db2.gz MVIXFKLDQJFCJR-UHFFFAOYSA-N 1 1 264.417 3.188 20 30 CGEDMO CCCCC[N@@H+](CCO)CCC1(C#N)CCCCC1 ZINC000411266954 328081450 /nfs/dbraw/zinc/08/14/50/328081450.db2.gz QVPXSENPFRLYRN-UHFFFAOYSA-N 1 1 266.429 3.335 20 30 CGEDMO CC[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)C[C@@H](C)O1 ZINC000411267264 328081504 /nfs/dbraw/zinc/08/15/04/328081504.db2.gz YYVSHXDOYRTWCF-CABCVRRESA-N 1 1 264.413 3.350 20 30 CGEDMO Cc1ccc2cc(C[N@@H+](C)C[C@H](C)C#N)ccc2n1 ZINC000275671110 328215827 /nfs/dbraw/zinc/21/58/27/328215827.db2.gz GCLGXHCYLNTZPN-GFCCVEGCSA-N 1 1 253.349 3.135 20 30 CGEDMO Cc1ccc2cc(C[N@H+](C)C[C@H](C)C#N)ccc2n1 ZINC000275671110 328215829 /nfs/dbraw/zinc/21/58/29/328215829.db2.gz GCLGXHCYLNTZPN-GFCCVEGCSA-N 1 1 253.349 3.135 20 30 CGEDMO C[C@@H](CCC#N)[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000276359925 328217917 /nfs/dbraw/zinc/21/79/17/328217917.db2.gz YMEHTAPJKSJDMF-FUHWJXTLSA-N 1 1 285.435 3.133 20 30 CGEDMO C[C@@H](CCC#N)[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000276359925 328217919 /nfs/dbraw/zinc/21/79/19/328217919.db2.gz YMEHTAPJKSJDMF-FUHWJXTLSA-N 1 1 285.435 3.133 20 30 CGEDMO C[C@@H](CCC#N)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000276359925 328217920 /nfs/dbraw/zinc/21/79/20/328217920.db2.gz YMEHTAPJKSJDMF-FUHWJXTLSA-N 1 1 285.435 3.133 20 30 CGEDMO C[C@@H](CCC#N)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276359925 328217922 /nfs/dbraw/zinc/21/79/22/328217922.db2.gz YMEHTAPJKSJDMF-FUHWJXTLSA-N 1 1 285.435 3.133 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@H+](C)[C@@H](C)CC)c1C ZINC000177594135 329187862 /nfs/dbraw/zinc/18/78/62/329187862.db2.gz NXTRYLLUWGZSNT-LBPRGKRZSA-N 1 1 262.397 3.204 20 30 CGEDMO C=C(C)C[N@@H+](C)CCC(=O)Nc1cccc(Cl)c1 ZINC000181265160 329228524 /nfs/dbraw/zinc/22/85/24/329228524.db2.gz QYFQGIAFTDYZAR-UHFFFAOYSA-N 1 1 266.772 3.177 20 30 CGEDMO Cc1cccc([C@@H]2CCC[N@H+]2CCOCCC#N)c1C ZINC000292665940 328273015 /nfs/dbraw/zinc/27/30/15/328273015.db2.gz AROGOADPPIGHBX-KRWDZBQOSA-N 1 1 272.392 3.371 20 30 CGEDMO Cc1ccccc1[C@@H]1CC[N@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000292991785 328274350 /nfs/dbraw/zinc/27/43/50/328274350.db2.gz GCLGFMXBMWBMFQ-XHSDSOJGSA-N 1 1 254.377 3.477 20 30 CGEDMO COc1ccc(Cl)cc1C[N@@H+](C)[C@@H](C)CCC#N ZINC000297937463 328295102 /nfs/dbraw/zinc/29/51/02/328295102.db2.gz RQONGRFXPWCQDY-NSHDSACASA-N 1 1 266.772 3.473 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccccc1CO)c1ccc(C#N)cc1F ZINC000305797600 321955517 /nfs/dbraw/zinc/95/55/17/321955517.db2.gz BGYNQLOWXMFXLT-GFCCVEGCSA-N 1 1 284.334 3.040 20 30 CGEDMO C[C@@H]1Cc2[nH+]cn(CCOc3cccc(C#N)c3)c2C[C@H]1C ZINC000319764325 321961472 /nfs/dbraw/zinc/96/14/72/321961472.db2.gz NXHAGJVPWRFGHD-ZIAGYGMSSA-N 1 1 295.386 3.205 20 30 CGEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCC[C@H]1O ZINC000565368652 322075257 /nfs/dbraw/zinc/07/52/57/322075257.db2.gz XAGKCYIVNIDETJ-QZTJIDSGSA-N 1 1 286.419 3.320 20 30 CGEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCC[C@H]1O ZINC000565368654 322075425 /nfs/dbraw/zinc/07/54/25/322075425.db2.gz XAGKCYIVNIDETJ-ZWKOTPCHSA-N 1 1 286.419 3.320 20 30 CGEDMO CCC[C@@H](C)[C@H]1CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000566414118 322121023 /nfs/dbraw/zinc/12/10/23/322121023.db2.gz MGOYRYCKKOMFOH-CZUORRHYSA-N 1 1 257.381 3.354 20 30 CGEDMO C[N@@H+](Cc1cccc(O)c1)Cc1ccc(C#N)c(F)c1 ZINC000568344197 322205443 /nfs/dbraw/zinc/20/54/43/322205443.db2.gz FIFQLDMKIYSCFK-UHFFFAOYSA-N 1 1 270.307 3.035 20 30 CGEDMO CC1=C[C@H](C)C[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000571282138 322294732 /nfs/dbraw/zinc/29/47/32/322294732.db2.gz VSQKZPOVEGXQMX-LBPRGKRZSA-N 1 1 294.358 3.006 20 30 CGEDMO CC1=C[C@H](C)C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000571282138 322294733 /nfs/dbraw/zinc/29/47/33/322294733.db2.gz VSQKZPOVEGXQMX-LBPRGKRZSA-N 1 1 294.358 3.006 20 30 CGEDMO C=CCOCC[N@H+](C)Cc1cc(Br)cs1 ZINC000292693646 328397892 /nfs/dbraw/zinc/39/78/92/328397892.db2.gz APFNTRDYAPHXTO-UHFFFAOYSA-N 1 1 290.226 3.145 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1ccc(F)c(Br)c1 ZINC000164690292 328433271 /nfs/dbraw/zinc/43/32/71/328433271.db2.gz NSTKSQMYUAGENS-UHFFFAOYSA-N 1 1 285.160 3.228 20 30 CGEDMO Cc1ccc2oc(C[NH2+]C[C@H](C#N)CCC#N)cc2c1 ZINC000582191937 328624117 /nfs/dbraw/zinc/62/41/17/328624117.db2.gz RIHZCFSAANWFNJ-ZDUSSCGKSA-N 1 1 267.332 3.274 20 30 CGEDMO FC(F)(F)c1ccc(C#CC[NH2+]CC2(F)CC2)cc1 ZINC000526983939 328818014 /nfs/dbraw/zinc/81/80/14/328818014.db2.gz DHAXATFEUQCVRT-UHFFFAOYSA-N 1 1 271.257 3.149 20 30 CGEDMO C=C[C@@H](CC(=O)N1CCC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000378276876 329044890 /nfs/dbraw/zinc/04/48/90/329044890.db2.gz XOMNCWMLJHRUQV-WMZOPIPTSA-N 1 1 298.430 3.043 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000178042046 329191898 /nfs/dbraw/zinc/19/18/98/329191898.db2.gz KTFSBEULONVWNY-INIZCTEOSA-N 1 1 286.419 3.095 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181048136 329225606 /nfs/dbraw/zinc/22/56/06/329225606.db2.gz PWLZYTZNNHWKQO-UHFFFAOYSA-N 1 1 286.278 3.204 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000181048136 329225607 /nfs/dbraw/zinc/22/56/07/329225607.db2.gz PWLZYTZNNHWKQO-UHFFFAOYSA-N 1 1 286.278 3.204 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)N1CCc2sccc2[C@H]1CC ZINC000181253397 329228184 /nfs/dbraw/zinc/22/81/84/329228184.db2.gz RXFUXYLTCXWKJJ-CQSZACIVSA-N 1 1 292.448 3.092 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc(C)cc1C ZINC000181296542 329230159 /nfs/dbraw/zinc/23/01/59/329230159.db2.gz OQMHWSLTURGYLO-CQSZACIVSA-N 1 1 260.381 3.138 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@@H](C(=O)N(CC)CC)c1ccccc1 ZINC000181309590 329230656 /nfs/dbraw/zinc/23/06/56/329230656.db2.gz SHQBEMSLGRNBTF-MRXNPFEDSA-N 1 1 274.408 3.104 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C(=O)N(CC)CC)c1ccccc1 ZINC000181309590 329230658 /nfs/dbraw/zinc/23/06/58/329230658.db2.gz SHQBEMSLGRNBTF-MRXNPFEDSA-N 1 1 274.408 3.104 20 30 CGEDMO CC[C@@H](CC#N)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000184095375 329256262 /nfs/dbraw/zinc/25/62/62/329256262.db2.gz SUGIAEJHDQAHEY-XIRDDKMYSA-N 1 1 271.408 3.104 20 30 CGEDMO CC[C@@H](CC#N)[NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000184095375 329256263 /nfs/dbraw/zinc/25/62/63/329256263.db2.gz SUGIAEJHDQAHEY-XIRDDKMYSA-N 1 1 271.408 3.104 20 30 CGEDMO CC(C)c1ccc([C@H]([NH3+])CN[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000423234695 330181022 /nfs/dbraw/zinc/18/10/22/330181022.db2.gz FUBDKNHYYZUCHV-FHLIZLRMSA-N 1 1 285.435 3.482 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000533299150 330356543 /nfs/dbraw/zinc/35/65/43/330356543.db2.gz DBGFDHNPEGTVAT-QKPAOTATSA-N 1 1 280.456 3.214 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CCSC1 ZINC000089939156 330388821 /nfs/dbraw/zinc/38/88/21/330388821.db2.gz ZNKZVNXMGFKQJK-AWEZNQCLSA-N 1 1 299.361 3.494 20 30 CGEDMO C=CC[N@@H+](C)Cc1nc2ccccc2c(C)c1C(=O)OCC ZINC000121205384 330397623 /nfs/dbraw/zinc/39/76/23/330397623.db2.gz BOCKWMZCJGJSBF-UHFFFAOYSA-N 1 1 298.386 3.338 20 30 CGEDMO C=CC[N@H+](C)Cc1nc2ccccc2c(C)c1C(=O)OCC ZINC000121205384 330397624 /nfs/dbraw/zinc/39/76/24/330397624.db2.gz BOCKWMZCJGJSBF-UHFFFAOYSA-N 1 1 298.386 3.338 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([NH2+][C@H](CO)c2c(Cl)cccc2Cl)C1 ZINC000442881191 330790294 /nfs/dbraw/zinc/79/02/94/330790294.db2.gz ZBLQBHVAAWURCM-GIPNMCIBSA-N 1 1 299.201 3.309 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CCC[N@H+](C(C)C)C2)CCCC1 ZINC000450932687 331007910 /nfs/dbraw/zinc/00/79/10/331007910.db2.gz SGSGSTNUTXXMKV-HNNXBMFYSA-N 1 1 278.440 3.112 20 30 CGEDMO C[C@@H]1Cc2c([nH+]cn2CC#Cc2ccc(F)cc2)C[C@@H]1C ZINC000451003933 331011303 /nfs/dbraw/zinc/01/13/03/331011303.db2.gz VJXJCRWYWDEMDP-UONOGXRCSA-N 1 1 282.362 3.445 20 30 CGEDMO C(#Cc1ccccc1)C[N@@H+]1CCOCC12CCCCC2 ZINC000451810766 331043285 /nfs/dbraw/zinc/04/32/85/331043285.db2.gz CTZHZXFMSUSWDL-UHFFFAOYSA-N 1 1 269.388 3.073 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCOCC12CCCCC2 ZINC000451810766 331043286 /nfs/dbraw/zinc/04/32/86/331043286.db2.gz CTZHZXFMSUSWDL-UHFFFAOYSA-N 1 1 269.388 3.073 20 30 CGEDMO N#CCC[NH+]1CCC(Cc2c(F)cccc2F)CC1 ZINC000451963061 331048356 /nfs/dbraw/zinc/04/83/56/331048356.db2.gz YIKGKNGNKXCGHS-UHFFFAOYSA-N 1 1 264.319 3.133 20 30 CGEDMO N#CCCC[N@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000451978000 331049277 /nfs/dbraw/zinc/04/92/77/331049277.db2.gz NZOXRUJZPQUZAK-CQSZACIVSA-N 1 1 250.292 3.405 20 30 CGEDMO N#CCCC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000451978000 331049278 /nfs/dbraw/zinc/04/92/78/331049278.db2.gz NZOXRUJZPQUZAK-CQSZACIVSA-N 1 1 250.292 3.405 20 30 CGEDMO COC[C@H]1CCCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000452036353 331051334 /nfs/dbraw/zinc/05/13/34/331051334.db2.gz ISTLHCLBQLNQRI-MRXNPFEDSA-N 1 1 277.795 3.192 20 30 CGEDMO CC[N@@H+](CCc1cccc(Cl)c1)C[C@H](C)C#N ZINC000459324332 331276272 /nfs/dbraw/zinc/27/62/72/331276272.db2.gz JQMFWXFVOKATGN-GFCCVEGCSA-N 1 1 250.773 3.364 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459663483 331292890 /nfs/dbraw/zinc/29/28/90/331292890.db2.gz OUUFLRBIDAKEKQ-LBPRGKRZSA-N 1 1 277.330 3.244 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCC[C@@H]2c2ccccc2)C1=O ZINC000459720175 331295670 /nfs/dbraw/zinc/29/56/70/331295670.db2.gz ZFDPEERSMFVARC-SQNIBIBYSA-N 1 1 298.430 3.041 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@H](CCC)C1 ZINC000466478245 331398138 /nfs/dbraw/zinc/39/81/38/331398138.db2.gz YFKXBBVUWRMTBU-CVEARBPZSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000488988171 332036799 /nfs/dbraw/zinc/03/67/99/332036799.db2.gz XOQYLTYTYFUIAH-CYBMUJFWSA-N 1 1 264.344 3.030 20 30 CGEDMO C#C[C@H](CC)NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000491461283 332215684 /nfs/dbraw/zinc/21/56/84/332215684.db2.gz CNBFFWBYPQBYET-UXLLHSPISA-N 1 1 262.441 3.031 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1nc2cc(Br)ccc2o1 ZINC000491663999 332273024 /nfs/dbraw/zinc/27/30/24/332273024.db2.gz DWTJNSYMSCMRGJ-SECBINFHSA-N 1 1 293.164 3.044 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1nc2cc(Br)ccc2o1 ZINC000491663999 332273025 /nfs/dbraw/zinc/27/30/25/332273025.db2.gz DWTJNSYMSCMRGJ-SECBINFHSA-N 1 1 293.164 3.044 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1ccc2c[nH]nc2c1)c1ccc(F)cc1 ZINC000491734751 332315441 /nfs/dbraw/zinc/31/54/41/332315441.db2.gz BXAPROZULQTKLY-MRXNPFEDSA-N 1 1 279.318 3.166 20 30 CGEDMO C=CCCCC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000175224831 333017554 /nfs/dbraw/zinc/01/75/54/333017554.db2.gz FNWHXBOQJQDANT-UHFFFAOYSA-N 1 1 266.429 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000309980509 333052310 /nfs/dbraw/zinc/05/23/10/333052310.db2.gz URLYCHYBZKQBOC-ROUUACIJSA-N 1 1 270.420 3.016 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000309980509 333052311 /nfs/dbraw/zinc/05/23/11/333052311.db2.gz URLYCHYBZKQBOC-ROUUACIJSA-N 1 1 270.420 3.016 20 30 CGEDMO CC(C)(C#N)CCCC[N@@H+]1CCC[C@@H](N2CCCC2)C1 ZINC000312195951 333078263 /nfs/dbraw/zinc/07/82/63/333078263.db2.gz IPEGHJSUCASTNQ-MRXNPFEDSA-N 1 1 277.456 3.267 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H](N2CCCC2)C1 ZINC000312195951 333078264 /nfs/dbraw/zinc/07/82/64/333078264.db2.gz IPEGHJSUCASTNQ-MRXNPFEDSA-N 1 1 277.456 3.267 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000517711573 333106422 /nfs/dbraw/zinc/10/64/22/333106422.db2.gz MADCBUGHUBOEDT-UHFFFAOYSA-N 1 1 293.370 3.418 20 30 CGEDMO CC(C)OC(=O)C[C@@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000185584621 333144259 /nfs/dbraw/zinc/14/42/59/333144259.db2.gz LAYZVIPYSAGNGV-HNNXBMFYSA-N 1 1 294.439 3.370 20 30 CGEDMO C[N@H+](CCCN[C@@H]1CCC[C@H](C#N)C1)C1CCCCC1 ZINC000185759328 333148280 /nfs/dbraw/zinc/14/82/80/333148280.db2.gz VNLBSKPJSNWHLK-JKSUJKDBSA-N 1 1 277.456 3.313 20 30 CGEDMO C[N@@H+](CCCN[C@@H]1CCC[C@H](C#N)C1)C1CCCCC1 ZINC000185759328 333148281 /nfs/dbraw/zinc/14/82/81/333148281.db2.gz VNLBSKPJSNWHLK-JKSUJKDBSA-N 1 1 277.456 3.313 20 30 CGEDMO CCC1(CC)CCC[N@@H+](CCC(=O)N(C)CCC#N)CC1 ZINC000190409777 333206392 /nfs/dbraw/zinc/20/63/92/333206392.db2.gz CEZXGUAOAWXZTE-UHFFFAOYSA-N 1 1 293.455 3.041 20 30 CGEDMO CCn1nc(C[NH+]2CCC(C)(C#N)CC2)c2ccccc21 ZINC000225521061 333236569 /nfs/dbraw/zinc/23/65/69/333236569.db2.gz MVQZFKORVVFXKR-UHFFFAOYSA-N 1 1 282.391 3.182 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000193364037 333248642 /nfs/dbraw/zinc/24/86/42/333248642.db2.gz JZHDKVLNMHKONJ-INIZCTEOSA-N 1 1 252.446 3.397 20 30 CGEDMO CCOC(=O)[C@@H]1CCCC[N@@H+]1CCCCC(C)(C)C#N ZINC000233701925 333354621 /nfs/dbraw/zinc/35/46/21/333354621.db2.gz VINYPSFICSBDJV-AWEZNQCLSA-N 1 1 280.412 3.124 20 30 CGEDMO CCOC(=O)[C@@H]1CCCC[N@H+]1CCCCC(C)(C)C#N ZINC000233701925 333354622 /nfs/dbraw/zinc/35/46/22/333354622.db2.gz VINYPSFICSBDJV-AWEZNQCLSA-N 1 1 280.412 3.124 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000076733836 334088166 /nfs/dbraw/zinc/08/81/66/334088166.db2.gz QTWVCVKDYLJHSS-SFHVURJKSA-N 1 1 286.419 3.152 20 30 CGEDMO C[N@@H+](CC#Cc1ccccc1Cl)C[C@@H]1CCCOC1 ZINC000135062652 334114178 /nfs/dbraw/zinc/11/41/78/334114178.db2.gz DLOJLBDWWWGEDP-AWEZNQCLSA-N 1 1 277.795 3.050 20 30 CGEDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000549469096 334194855 /nfs/dbraw/zinc/19/48/55/334194855.db2.gz REAXBRNWRSKTSM-SOUVJXGZSA-N 1 1 292.423 3.122 20 30 CGEDMO C=C(C)C[N@@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000081535003 334194983 /nfs/dbraw/zinc/19/49/83/334194983.db2.gz DPSGDLUPEPEVNP-QGZVFWFLSA-N 1 1 259.393 3.325 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCC[C@@H]1CC(=O)NCC ZINC000551416295 334249944 /nfs/dbraw/zinc/24/99/44/334249944.db2.gz JNNSBDVWWWTFQG-OAHLLOKOSA-N 1 1 266.429 3.114 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000248913392 334321791 /nfs/dbraw/zinc/32/17/91/334321791.db2.gz YTNTUFRZJGXINI-IAGOWNOFSA-N 1 1 271.429 3.398 20 30 CGEDMO CC1=C(c2ccco2)C[N@@H+](Cc2ccc(C#N)cn2)CC1 ZINC000576288703 335183784 /nfs/dbraw/zinc/18/37/84/335183784.db2.gz AKKYANTYXMQRNP-UHFFFAOYSA-N 1 1 279.343 3.226 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)cc1 ZINC000576343755 335191918 /nfs/dbraw/zinc/19/19/18/335191918.db2.gz FOLDARYVJXSJGV-MSOLQXFVSA-N 1 1 284.403 3.144 20 30 CGEDMO CCCOc1ccc(C[NH2+]C[C@H](C)C#N)cc1OCC ZINC000183839937 335909510 /nfs/dbraw/zinc/90/95/10/335909510.db2.gz AUEINOKFGTWDCJ-CYBMUJFWSA-N 1 1 276.380 3.123 20 30 CGEDMO C[C@@H]1Cc2c([nH+]cn2CC#Cc2ccccc2)C[C@@H]1C ZINC000380773846 336028368 /nfs/dbraw/zinc/02/83/68/336028368.db2.gz QXOCPNWFDJTHIF-LSDHHAIUSA-N 1 1 264.372 3.306 20 30 CGEDMO CC(C)[N@H+](CCC#N)CCCc1ccc2c(c1)CCO2 ZINC000581404762 336069229 /nfs/dbraw/zinc/06/92/29/336069229.db2.gz WHCPAZIRKKZNSD-UHFFFAOYSA-N 1 1 272.392 3.178 20 30 CGEDMO C=CCCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000381926473 336077873 /nfs/dbraw/zinc/07/78/73/336077873.db2.gz PYTWSUQKDNIDBW-OALUTQOASA-N 1 1 284.447 3.407 20 30 CGEDMO C=CCCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000381926473 336077875 /nfs/dbraw/zinc/07/78/75/336077875.db2.gz PYTWSUQKDNIDBW-OALUTQOASA-N 1 1 284.447 3.407 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000381926473 336077877 /nfs/dbraw/zinc/07/78/77/336077877.db2.gz PYTWSUQKDNIDBW-OALUTQOASA-N 1 1 284.447 3.407 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000381926473 336077879 /nfs/dbraw/zinc/07/78/79/336077879.db2.gz PYTWSUQKDNIDBW-OALUTQOASA-N 1 1 284.447 3.407 20 30 CGEDMO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)n[nH]1 ZINC000358557645 533763634 /nfs/dbraw/zinc/76/36/34/533763634.db2.gz CHJYCMFCEBAELD-CMPLNLGQSA-N 1 1 286.354 3.011 20 30 CGEDMO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc2c(c1)OCO2 ZINC000428287645 533927729 /nfs/dbraw/zinc/92/77/29/533927729.db2.gz DTDUGUNBGSUXCA-NSHDSACASA-N 1 1 298.317 3.277 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCc1cncs1 ZINC000425537294 534081989 /nfs/dbraw/zinc/08/19/89/534081989.db2.gz QKZOUTWRZKQRRG-LBPRGKRZSA-N 1 1 271.389 3.250 20 30 CGEDMO C[C@@H]1CC[C@@H](C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)O1 ZINC000364490668 534156367 /nfs/dbraw/zinc/15/63/67/534156367.db2.gz LRDNYVYZOFUJQA-KDOFPFPSSA-N 1 1 282.387 3.215 20 30 CGEDMO C[C@@H]1CC[C@@]2(CC[N@@H+](C[C@H](O)c3ccc(C#N)cc3)C2)C1 ZINC000364674103 534205665 /nfs/dbraw/zinc/20/56/65/534205665.db2.gz IGVOOZBHPRTXPA-FHLIZLRMSA-N 1 1 284.403 3.104 20 30 CGEDMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075767142 534231020 /nfs/dbraw/zinc/23/10/20/534231020.db2.gz HWXTWOBNGVSZIL-QWHCGFSZSA-N 1 1 296.374 3.229 20 30 CGEDMO C[C@@H]([N@@H+](C)CCOc1cccc(C#N)c1)C1(C)CC1 ZINC000177253447 534285236 /nfs/dbraw/zinc/28/52/36/534285236.db2.gz DTIJFRXNVLROAP-CYBMUJFWSA-N 1 1 258.365 3.057 20 30 CGEDMO C=CCC[C@H](O)C[NH2+][C@H](C)c1nc(C2CCCCC2)no1 ZINC000185274295 518727797 /nfs/dbraw/zinc/72/77/97/518727797.db2.gz YMWAQEKDCCBRSL-OCCSQVGLSA-N 1 1 293.411 3.095 20 30 CGEDMO C=CCOc1cccc(C[NH2+][C@@H](CCO)c2ccco2)c1 ZINC000184516309 519053311 /nfs/dbraw/zinc/05/33/11/519053311.db2.gz YSXSXSVZQXMKGD-INIZCTEOSA-N 1 1 287.359 3.058 20 30 CGEDMO CC1(C)C[N@H+](Cc2ccc(C#N)s2)[C@H]1[C@@H]1CCCO1 ZINC000291516327 520477266 /nfs/dbraw/zinc/47/72/66/520477266.db2.gz ISJHIBWPAUSVNU-KBPBESRZSA-N 1 1 276.405 3.009 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)s2)[C@H]1[C@@H]1CCCO1 ZINC000291516327 520477277 /nfs/dbraw/zinc/47/72/77/520477277.db2.gz ISJHIBWPAUSVNU-KBPBESRZSA-N 1 1 276.405 3.009 20 30 CGEDMO N#Cc1c(C[N@H+]2CC[C@H]3CCC[C@H]32)cn2ccccc12 ZINC000426486227 534761558 /nfs/dbraw/zinc/76/15/58/534761558.db2.gz LAEHHMIUYZLBND-CZUORRHYSA-N 1 1 265.360 3.185 20 30 CGEDMO C[C@H]1C[C@@H](Nc2cccc(Cl)c2C#N)CC[N@H+]1C ZINC000157960971 524814790 /nfs/dbraw/zinc/81/47/90/524814790.db2.gz URCSPFBKWAXKFN-QWRGUYRKSA-N 1 1 263.772 3.106 20 30 CGEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000331838344 534842014 /nfs/dbraw/zinc/84/20/14/534842014.db2.gz SIQJAPDECKQGSC-KRWDZBQOSA-N 1 1 294.402 3.430 20 30 CGEDMO C=CC[N@H+](C[C@@H](O)COc1cc(C)ccc1Cl)C1CC1 ZINC000347542425 526330243 /nfs/dbraw/zinc/33/02/43/526330243.db2.gz OSRDXFDJPMZNPS-CQSZACIVSA-N 1 1 295.810 3.039 20 30 CGEDMO C=CCOCCC[N@@H+](CCN1CCCCCC1)C(C)C ZINC000347350555 526749269 /nfs/dbraw/zinc/74/92/69/526749269.db2.gz WSBZHCNKOJCMRM-UHFFFAOYSA-N 1 1 282.472 3.166 20 30 CGEDMO C=CCOCCCN(CC[NH+]1CCCCCC1)C(C)C ZINC000347350555 526749271 /nfs/dbraw/zinc/74/92/71/526749271.db2.gz WSBZHCNKOJCMRM-UHFFFAOYSA-N 1 1 282.472 3.166 20 30 CGEDMO C=CCOCCC[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000347970860 526749454 /nfs/dbraw/zinc/74/94/54/526749454.db2.gz XLKYDEOFFUGJBX-OAHLLOKOSA-N 1 1 295.448 3.322 20 30 CGEDMO C=CCCCCC[N@@H+](C)Cc1occc1C(=O)OC ZINC000351920118 527128360 /nfs/dbraw/zinc/12/83/60/527128360.db2.gz XGRKEPYBGOEGEB-UHFFFAOYSA-N 1 1 265.353 3.244 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1occc1C(=O)OC ZINC000351920118 527128366 /nfs/dbraw/zinc/12/83/66/527128366.db2.gz XGRKEPYBGOEGEB-UHFFFAOYSA-N 1 1 265.353 3.244 20 30 CGEDMO C=CCC[N@@H+](Cc1cccs1)[C@@H]1C=C[C@@H](CO)C1 ZINC000347333628 527326443 /nfs/dbraw/zinc/32/64/43/527326443.db2.gz HXABHFSZONOIGD-ZIAGYGMSSA-N 1 1 263.406 3.063 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)CCCc1ccncc1 ZINC000347297125 527715922 /nfs/dbraw/zinc/71/59/22/527715922.db2.gz GYGDLLZTMBRLMD-UHFFFAOYSA-N 1 1 259.397 3.276 20 30 CGEDMO CC(C)C[N@@H+](CC[C@H]1CCOC1)Cc1ccc(C#N)cc1 ZINC000437580925 527942879 /nfs/dbraw/zinc/94/28/79/527942879.db2.gz REXPZSOIVKLWNT-SFHVURJKSA-N 1 1 286.419 3.443 20 30 CGEDMO CC(C)CO[C@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439447146 528141337 /nfs/dbraw/zinc/14/13/37/528141337.db2.gz FRADVJSZLAQXIY-HNNXBMFYSA-N 1 1 292.810 3.459 20 30 CGEDMO CC(C)CO[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439447146 528141340 /nfs/dbraw/zinc/14/13/40/528141340.db2.gz FRADVJSZLAQXIY-HNNXBMFYSA-N 1 1 292.810 3.459 20 30 CGEDMO CC[N@@H+](CCC1(O)CCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000411116377 528406651 /nfs/dbraw/zinc/40/66/51/528406651.db2.gz UAHMURSROITDSM-AWEZNQCLSA-N 1 1 272.392 3.246 20 30 CGEDMO CCOC1CC([N@@H+](C)CCCCC(C)(C)C#N)C1 ZINC000347458548 528511572 /nfs/dbraw/zinc/51/15/72/528511572.db2.gz PWGPKMWFIAQSJA-UHFFFAOYSA-N 1 1 252.402 3.206 20 30 CGEDMO CC[N@@H+](CCN[C@@H](C)c1ccc(C#N)cc1F)C(C)C ZINC000358577690 528513144 /nfs/dbraw/zinc/51/31/44/528513144.db2.gz UVOWCLMNXMEZLS-ZDUSSCGKSA-N 1 1 277.387 3.078 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)Cc1ccc2c(c1)nnn2C ZINC000353419941 528749539 /nfs/dbraw/zinc/74/95/39/528749539.db2.gz FAFKRHVXROZNSB-UHFFFAOYSA-N 1 1 299.422 3.120 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc(C#N)c(F)c1)C1CCOCC1 ZINC000192109438 535089715 /nfs/dbraw/zinc/08/97/15/535089715.db2.gz YJTCBTTXZLGWEQ-UHFFFAOYSA-N 1 1 276.355 3.087 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C(C1CC1)C1CC1 ZINC000050989610 536305760 /nfs/dbraw/zinc/30/57/60/536305760.db2.gz QCRQJFFGDUKJMW-UHFFFAOYSA-N 1 1 297.402 3.007 20 30 CGEDMO Cc1ccc(F)c(C[NH2+]Cc2cc(C#N)ccc2F)c1 ZINC000742382010 572351547 /nfs/dbraw/zinc/35/15/47/572351547.db2.gz XEVMVUCVJPETTD-UHFFFAOYSA-N 1 1 272.298 3.435 20 30 CGEDMO C[C@@H]1C[C@H](/N=C/c2c(O)ccc3ccccc32)CC[N@H+]1C ZINC000741463321 572412082 /nfs/dbraw/zinc/41/20/82/572412082.db2.gz DCHNZJHDLANYMT-JMPAWAFNSA-N 1 1 282.387 3.447 20 30 CGEDMO CC#CC[N@@H+]1CC=C(c2c[nH]c3ccccc23)CC1 ZINC000741776018 572525504 /nfs/dbraw/zinc/52/55/04/572525504.db2.gz RFBASJGCKRHVMP-UHFFFAOYSA-N 1 1 250.345 3.280 20 30 CGEDMO CCC[N@H+](Cc1ccc(OCC#N)cc1)CC1CC1 ZINC000733611414 572591394 /nfs/dbraw/zinc/59/13/94/572591394.db2.gz XRPOMLGBLMNHQQ-UHFFFAOYSA-N 1 1 258.365 3.211 20 30 CGEDMO Cc1ccccc1[C@@H](O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000741782008 572616280 /nfs/dbraw/zinc/61/62/80/572616280.db2.gz WIBKVXLLZLQFGF-SFHVURJKSA-N 1 1 280.371 3.032 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735310307 572714257 /nfs/dbraw/zinc/71/42/57/572714257.db2.gz XUILMKHXBIWNIB-NSHDSACASA-N 1 1 264.756 3.084 20 30 CGEDMO CC(C)C[N@@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000735309330 572714620 /nfs/dbraw/zinc/71/46/20/572714620.db2.gz CVCWGPDGWYAFFA-UHFFFAOYSA-N 1 1 266.772 3.330 20 30 CGEDMO C[C@H]1C[N@@H+](C)CC1=NOCc1ccc(C(F)(F)F)cc1 ZINC000746577375 572882200 /nfs/dbraw/zinc/88/22/00/572882200.db2.gz VKQDWYVEIOWGHQ-JTQLQIEISA-N 1 1 286.297 3.160 20 30 CGEDMO C=C(Cl)CN(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000747531164 572934094 /nfs/dbraw/zinc/93/40/94/572934094.db2.gz DXHGQSIMZBWFDM-MRXNPFEDSA-N 1 1 278.827 3.335 20 30 CGEDMO C=C(Cl)CN1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000749243649 572991110 /nfs/dbraw/zinc/99/11/10/572991110.db2.gz YTJBIPGXYZFSCK-MJBXVCDLSA-N 1 1 256.821 3.076 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H]2C[N@@H+](CCC)C[C@H]2CC1 ZINC000946713972 613242461 /nfs/dbraw/zinc/24/24/61/613242461.db2.gz BPTKKOZVLAAPES-IYBDPMFKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccoc1 ZINC000968753149 613251174 /nfs/dbraw/zinc/25/11/74/613251174.db2.gz CTDBPQRMTYDNOW-MRXNPFEDSA-N 1 1 290.407 3.220 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)C23CCC(CC2)C3)CC1 ZINC000981458941 613252103 /nfs/dbraw/zinc/25/21/03/613252103.db2.gz KTULJAQWJACCPH-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2(C)CC(=C)C2)C[C@@H]1C ZINC000947702102 613270685 /nfs/dbraw/zinc/27/06/85/613270685.db2.gz JOLPXPABKQBJDX-HOTGVXAUSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2CCCC2)C[C@@H]1C ZINC000946972034 613271072 /nfs/dbraw/zinc/27/10/72/613271072.db2.gz VJTIVDNTENDHFF-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)C2(C)CCCC2)C(C)(C)C1 ZINC000974883500 613276726 /nfs/dbraw/zinc/27/67/26/613276726.db2.gz PVULNEAJMBUISZ-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)C[C@H]2C=CCC2)C(C)(C)C1 ZINC000972795338 613276825 /nfs/dbraw/zinc/27/68/25/613276825.db2.gz AXAPIXGNBMRGIA-HOTGVXAUSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2cccc(C)c2C)C1 ZINC000980299933 613286636 /nfs/dbraw/zinc/28/66/36/613286636.db2.gz LGUKHDLNSIBPEZ-MRXNPFEDSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2occc2C(C)C)C1 ZINC000972158490 613292465 /nfs/dbraw/zinc/29/24/65/613292465.db2.gz OCANXXHAXIQYKO-AWEZNQCLSA-N 1 1 290.407 3.125 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@@H]2CCC)CC1 ZINC000981503527 613310874 /nfs/dbraw/zinc/31/08/74/613310874.db2.gz NRPIUYDPFFEGPR-IRXDYDNUSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)C2CCCCC2)CC1 ZINC000948156610 613314491 /nfs/dbraw/zinc/31/44/91/613314491.db2.gz YNUUJFZINPIHOD-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)C2CC3(CC3)C2)CC1 ZINC000948762243 613314674 /nfs/dbraw/zinc/31/46/74/613314674.db2.gz NKFSVJNVVYDIMP-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C2=CCCCCC2)C1 ZINC000965945823 613323541 /nfs/dbraw/zinc/32/35/41/613323541.db2.gz BYCIGCXQOAGCNW-WBVHZDCISA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C(F)=C2CCCC2)C[C@H]1C ZINC000947196414 613326847 /nfs/dbraw/zinc/32/68/47/613326847.db2.gz UFXYHNSFPNKAHT-UKRRQHHQSA-N 1 1 294.414 3.329 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC=CCC2)C(C)(C)C1 ZINC000940556818 613328483 /nfs/dbraw/zinc/32/84/83/613328483.db2.gz FNRCMBZKSOGSNS-JKSUJKDBSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C2C(C)(C)C2(C)C)[C@H](C)C1 ZINC000941934026 613334817 /nfs/dbraw/zinc/33/48/17/613334817.db2.gz FBVFXOBLCNAXBB-KGLIPLIRSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C2CCC(=C)CC2)[C@@H](C)C1 ZINC000942601093 613334915 /nfs/dbraw/zinc/33/49/15/613334915.db2.gz ZQBNIGJFBIMYMR-RDJZCZTQSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)CC2CCCC2)C(C)(C)C1 ZINC000940547667 613334971 /nfs/dbraw/zinc/33/49/71/613334971.db2.gz HDOSNBSPAKXWCX-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccsc2C)C[C@H]1C ZINC000947280850 613336369 /nfs/dbraw/zinc/33/63/69/613336369.db2.gz HYBNCTPQYAYFGJ-OCCSQVGLSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C(C)(C)C1 ZINC000977505277 613341745 /nfs/dbraw/zinc/34/17/45/613341745.db2.gz TUEOJMCFJGTXFX-JYJNAYRXSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)C2CCCCCC2)C1 ZINC000971195921 613368060 /nfs/dbraw/zinc/36/80/60/613368060.db2.gz BXRCFKUZIJUIIM-OAHLLOKOSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)C2CCCCCC2)C1 ZINC000971195921 613368061 /nfs/dbraw/zinc/36/80/61/613368061.db2.gz BXRCFKUZIJUIIM-OAHLLOKOSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(C)CC=CC2)C[C@@H]1C ZINC000947693884 613376030 /nfs/dbraw/zinc/37/60/30/613376030.db2.gz TYJNNPXWUCWQPR-UONOGXRCSA-N 1 1 296.842 3.064 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(C)CC=CC2)C[C@@H]1C ZINC000947693884 613376031 /nfs/dbraw/zinc/37/60/31/613376031.db2.gz TYJNNPXWUCWQPR-UONOGXRCSA-N 1 1 296.842 3.064 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2cccs2)C[C@H]1C ZINC000947017999 613377109 /nfs/dbraw/zinc/37/71/09/613377109.db2.gz RHAOKCRVEKORCL-VXGBXAGGSA-N 1 1 298.839 3.083 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2cccs2)C[C@H]1C ZINC000947017999 613377110 /nfs/dbraw/zinc/37/71/10/613377110.db2.gz RHAOKCRVEKORCL-VXGBXAGGSA-N 1 1 298.839 3.083 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)=C2CCC2)[C@H](C)C1 ZINC000942041369 613378011 /nfs/dbraw/zinc/37/80/11/613378011.db2.gz LUHACLAPNUSXTL-ABAIWWIYSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)=C2CCC2)[C@H](C)C1 ZINC000942041369 613378012 /nfs/dbraw/zinc/37/80/12/613378012.db2.gz LUHACLAPNUSXTL-ABAIWWIYSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC2CCCC2)C[C@H]1C ZINC000947014501 613378413 /nfs/dbraw/zinc/37/84/13/613378413.db2.gz WKNLAELMQYJPBP-HIFRSBDPSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC2CCCC2)C[C@H]1C ZINC000947014501 613378414 /nfs/dbraw/zinc/37/84/14/613378414.db2.gz WKNLAELMQYJPBP-HIFRSBDPSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C1CC(C)(C(=O)N(C)[C@H]2CCC[N@H+](C(C)C)CC2)C1 ZINC000948758283 613393130 /nfs/dbraw/zinc/39/31/30/613393130.db2.gz CGEGIPGOBSFPMH-HNNXBMFYSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[N@H+](CC=C(C)C)CC2)CC1 ZINC000981874045 613404209 /nfs/dbraw/zinc/40/42/09/613404209.db2.gz WELBGANCXXCJKL-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[N@H+](CCC(C)C)CC2)CC1 ZINC000981873871 613404257 /nfs/dbraw/zinc/40/42/57/613404257.db2.gz UVAASTBOYSMQLH-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[N@@H+](CC2=CCCCC2)CC1 ZINC000981754013 613430941 /nfs/dbraw/zinc/43/09/41/613430941.db2.gz QYXOSCKBEXAVPE-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CC(=C)C)C1)c1ccccc1 ZINC000980463203 613441245 /nfs/dbraw/zinc/44/12/45/613441245.db2.gz UGMREJFISQHECO-ZWKOTPCHSA-N 1 1 298.430 3.065 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)[C@@]2(C)CCC[C@H]2CC)CC1 ZINC000981451408 613495127 /nfs/dbraw/zinc/49/51/27/613495127.db2.gz SDTCIAYQFNUFDS-AEFFLSMTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@H]2CCC)CC1 ZINC000981503801 613495956 /nfs/dbraw/zinc/49/59/56/613495956.db2.gz QTFGPBQJDCDPOV-SJORKVTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)F)C1 ZINC000963231664 613500435 /nfs/dbraw/zinc/50/04/35/613500435.db2.gz MEMGBDIRWPJDQK-HUUCEWRRSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC2(C1)CCC[N@@H+](CC(C)C)C2 ZINC000981988118 613501377 /nfs/dbraw/zinc/50/13/77/613501377.db2.gz UKLUKAAIMDYOIV-QGZVFWFLSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C2CCC(=C)CC2)C[C@H]1C ZINC000947684510 613519788 /nfs/dbraw/zinc/51/97/88/613519788.db2.gz IQROVKQPSKPXSR-NVXWUHKLSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2CCCCCC2)C1 ZINC000965475887 613530621 /nfs/dbraw/zinc/53/06/21/613530621.db2.gz KRKHUHUNYBJAEX-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC000965864218 613530750 /nfs/dbraw/zinc/53/07/50/613530750.db2.gz SMJVAGDBKOKAGT-UONOGXRCSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CC2CCCC2)C[C@H]1C ZINC000946999479 613534910 /nfs/dbraw/zinc/53/49/10/613534910.db2.gz ACUSTLUDYUKBIN-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C=C)cc2)C[C@@H]1C ZINC000947734777 613538528 /nfs/dbraw/zinc/53/85/28/613538528.db2.gz FTBVXYXTMLZMMF-YJBOKZPZSA-N 1 1 298.430 3.488 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C(C)(C)C1 ZINC000975054458 613545281 /nfs/dbraw/zinc/54/52/81/613545281.db2.gz HVXJBQVUOYMQFN-BZUAXINKSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(C(C)C)cc2)C1 ZINC000972788408 613636823 /nfs/dbraw/zinc/63/68/23/613636823.db2.gz FOMWHTNYXBAIOS-KRWDZBQOSA-N 1 1 286.419 3.142 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)C(C)(C)C2CCC2)CC1 ZINC000948648520 613703441 /nfs/dbraw/zinc/70/34/41/613703441.db2.gz SPMBHPWFDVINCD-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)C23CCC(CC2)C3)CC1 ZINC000948554641 613704016 /nfs/dbraw/zinc/70/40/16/613704016.db2.gz YEBYMHVJAZCXDP-PQUAAJSLSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(CC)CC)C1 ZINC000963252674 613706189 /nfs/dbraw/zinc/70/61/89/613706189.db2.gz XDJQSLPEKTWFBZ-IRXDYDNUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2(CC)CC2)C1 ZINC000963358052 613706330 /nfs/dbraw/zinc/70/63/30/613706330.db2.gz COXFJZXBVLZIBT-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cscc2Cl)C1 ZINC000966888759 613737065 /nfs/dbraw/zinc/73/70/65/613737065.db2.gz ULLIKJSEZTWATH-ZWNOBZJWSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C2CCC(C)(C)CC2)C[C@@H]1C ZINC000948083875 613741987 /nfs/dbraw/zinc/74/19/87/613741987.db2.gz ZHHPMFGDJWSMRD-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C2CCC3(CC3)CC2)C[C@@H]1C ZINC000947550696 613742034 /nfs/dbraw/zinc/74/20/34/613742034.db2.gz AHEJHYUKAAPOLB-GOEBONIOSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)c2cscc2Cl)[C@@H](C)C1 ZINC000942155695 613760363 /nfs/dbraw/zinc/76/03/63/613760363.db2.gz KEAKXMMFZRDFOA-GXFFZTMASA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)C(C)(C)C2CCCC2)[C@@H](C)C1 ZINC000942134831 613778904 /nfs/dbraw/zinc/77/89/04/613778904.db2.gz BQXHHIOKQLJUCU-HOCLYGCPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)C(C)(C)C1 ZINC000974642839 613827281 /nfs/dbraw/zinc/82/72/81/613827281.db2.gz YRRXPNWTAJZVJJ-CVEARBPZSA-N 1 1 290.451 3.136 20 30 CGEDMO C[N@H+](Cc1ccccc1O)Cc1cc(F)ccc1C#N ZINC000160292496 617884489 /nfs/dbraw/zinc/88/44/89/617884489.db2.gz DJYJPWKMJLGQLG-UHFFFAOYSA-N 1 1 270.307 3.035 20 30 CGEDMO C[N@@H+](Cc1ccccc1O)Cc1cc(F)ccc1C#N ZINC000160292496 617884492 /nfs/dbraw/zinc/88/44/92/617884492.db2.gz DJYJPWKMJLGQLG-UHFFFAOYSA-N 1 1 270.307 3.035 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(CCc2ccccc2)no1 ZINC000899994309 620742133 /nfs/dbraw/zinc/74/21/33/620742133.db2.gz YEXLJUUREWCABK-CQSZACIVSA-N 1 1 271.364 3.211 20 30 CGEDMO C=C(Br)C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000176929136 617920752 /nfs/dbraw/zinc/92/07/52/617920752.db2.gz KCIZDDTUUVVPKY-WDEREUQCSA-N 1 1 276.243 3.255 20 30 CGEDMO C=C(Br)C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000176929136 617920756 /nfs/dbraw/zinc/92/07/56/617920756.db2.gz KCIZDDTUUVVPKY-WDEREUQCSA-N 1 1 276.243 3.255 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC2(C)CC2)C1 ZINC001021633568 618076510 /nfs/dbraw/zinc/07/65/10/618076510.db2.gz RUHNZQHBZWKCQD-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO Cc1csc(C[C@@H]2CC[N@@H+](CC3(CC#N)CC3)C2)n1 ZINC000933128470 618159378 /nfs/dbraw/zinc/15/93/78/618159378.db2.gz UUHIUSISGOUUKF-ZDUSSCGKSA-N 1 1 275.421 3.010 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCOC[C@@H]2CC2CC2)CCC1 ZINC000933205548 618166950 /nfs/dbraw/zinc/16/69/50/618166950.db2.gz ZDUIKYPIHLOZGZ-INIZCTEOSA-N 1 1 276.424 3.351 20 30 CGEDMO C#CCC1([NH2+]Cc2nc(-c3cccc(C)c3)no2)CCC1 ZINC000933302385 618197424 /nfs/dbraw/zinc/19/74/24/618197424.db2.gz FXEYNKIDKWQFIF-UHFFFAOYSA-N 1 1 281.359 3.081 20 30 CGEDMO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1csc(C#N)c1 ZINC000891503956 618232996 /nfs/dbraw/zinc/23/29/96/618232996.db2.gz ZFERSWLQMXOSLK-HNNXBMFYSA-N 1 1 271.389 3.295 20 30 CGEDMO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1csc(C#N)c1 ZINC000891503956 618232998 /nfs/dbraw/zinc/23/29/98/618232998.db2.gz ZFERSWLQMXOSLK-HNNXBMFYSA-N 1 1 271.389 3.295 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](Cc2nc(C)no2)C1 ZINC000933571846 618243879 /nfs/dbraw/zinc/24/38/79/618243879.db2.gz FGCRWSKBVRGNIG-OAHLLOKOSA-N 1 1 277.412 3.379 20 30 CGEDMO C=CCCCC[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933629854 618265685 /nfs/dbraw/zinc/26/56/85/618265685.db2.gz PQCGGFBBWCVEMD-KRWDZBQOSA-N 1 1 270.376 3.288 20 30 CGEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc(CCC#N)cc1 ZINC000900661884 620805139 /nfs/dbraw/zinc/80/51/39/620805139.db2.gz COEAYOFUALUHNB-QGZVFWFLSA-N 1 1 299.418 3.346 20 30 CGEDMO CO[C@H]1CC[C@H]1[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000934105864 618466244 /nfs/dbraw/zinc/46/62/44/618466244.db2.gz QLEVGCLEBYNXFC-CABCVRRESA-N 1 1 297.320 3.166 20 30 CGEDMO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000934110281 618470554 /nfs/dbraw/zinc/47/05/54/618470554.db2.gz XUBVWHJAMUIHQW-KGLIPLIRSA-N 1 1 298.308 3.186 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000934645310 618664198 /nfs/dbraw/zinc/66/41/98/618664198.db2.gz HGRNUGGIHOBTHM-UHFFFAOYSA-N 1 1 296.374 3.396 20 30 CGEDMO CCc1nn(C)cc1C[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000179722649 618800034 /nfs/dbraw/zinc/80/00/34/618800034.db2.gz MJTCDLGZBPDRMH-AWEZNQCLSA-N 1 1 296.418 3.437 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)CCC[C@@H]1C ZINC001017906151 618891164 /nfs/dbraw/zinc/89/11/64/618891164.db2.gz VSZZPEIUWCZCIN-LISAXSMJSA-N 1 1 290.451 3.064 20 30 CGEDMO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)CC1CCC(C#N)CC1 ZINC000930868638 619085180 /nfs/dbraw/zinc/08/51/80/619085180.db2.gz XPQKCTSCKCCYJH-YMAMQOFZSA-N 1 1 294.439 3.368 20 30 CGEDMO CCC(C)(C)N1CC[NH+](CC2CCC(C#N)CC2)CC1 ZINC000930884346 619087242 /nfs/dbraw/zinc/08/72/42/619087242.db2.gz DDGFQCLIZFMILR-UHFFFAOYSA-N 1 1 277.456 3.123 20 30 CGEDMO C#C[C@H]([NH2+][C@H](C)c1cccc(Cl)c1F)[C@@H]1CCCO1 ZINC000775806501 619103955 /nfs/dbraw/zinc/10/39/55/619103955.db2.gz LYYDIDDHDKAVPB-SWHYSGLUSA-N 1 1 281.758 3.311 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](NC(=O)c2sccc2C(C)C)C1 ZINC001009607670 619182258 /nfs/dbraw/zinc/18/22/58/619182258.db2.gz CHGAIOOCUJDHJN-ZDUSSCGKSA-N 1 1 292.448 3.252 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2sccc2C(C)C)C1 ZINC001009607670 619182260 /nfs/dbraw/zinc/18/22/60/619182260.db2.gz CHGAIOOCUJDHJN-ZDUSSCGKSA-N 1 1 292.448 3.252 20 30 CGEDMO Cc1cc(F)c(C#N)c(N2CCC[C@@H](c3[nH+]ccn3C)C2)c1 ZINC000893530753 619206340 /nfs/dbraw/zinc/20/63/40/619206340.db2.gz AOUOAPQZICDVAO-CYBMUJFWSA-N 1 1 298.365 3.123 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931920637 619275285 /nfs/dbraw/zinc/27/52/85/619275285.db2.gz ZTHJVNGKJDWBCO-GHMZBOCLSA-N 1 1 263.278 3.155 20 30 CGEDMO Cc1nc([C@H]2CC[N@@H+](CCCCC3(C#N)CCC3)C2)no1 ZINC000931935852 619284818 /nfs/dbraw/zinc/28/48/18/619284818.db2.gz IZVKOHBDACZBAO-AWEZNQCLSA-N 1 1 288.395 3.032 20 30 CGEDMO COCC[N@@H+](Cc1csc(C#N)c1)[C@@H]1CC[C@H](C)C1 ZINC000894002045 619349753 /nfs/dbraw/zinc/34/97/53/619349753.db2.gz UPBPBHMCNAXLJH-GXTWGEPZSA-N 1 1 278.421 3.257 20 30 CGEDMO N#Cc1ccc(OCCC[N@H+]2CCc3sccc3C2)cc1 ZINC000034673986 619373236 /nfs/dbraw/zinc/37/32/36/619373236.db2.gz PXJRXAMRERLBLK-UHFFFAOYSA-N 1 1 298.411 3.447 20 30 CGEDMO C[C@H]1CCC[N@H+](C(C)(C)CNCc2ccc(C#N)cc2)C1 ZINC000067222403 619394919 /nfs/dbraw/zinc/39/49/19/619394919.db2.gz YLVFYEFWYLQFIJ-HNNXBMFYSA-N 1 1 285.435 3.158 20 30 CGEDMO C[C@H]1CCCN(C(C)(C)C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000067222403 619394925 /nfs/dbraw/zinc/39/49/25/619394925.db2.gz YLVFYEFWYLQFIJ-HNNXBMFYSA-N 1 1 285.435 3.158 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCC1=NOCC1CC1 ZINC000814244039 619418704 /nfs/dbraw/zinc/41/87/04/619418704.db2.gz BTFKPLZZKNZWLO-CQSZACIVSA-N 1 1 272.392 3.311 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)cs1 ZINC000894633568 619593126 /nfs/dbraw/zinc/59/31/26/619593126.db2.gz GLHCHXMHZUUFFT-OAHLLOKOSA-N 1 1 288.416 3.011 20 30 CGEDMO N#Cc1cc(C[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)cs1 ZINC000894736065 619617480 /nfs/dbraw/zinc/61/74/80/619617480.db2.gz NRJXOCQVSXOKFS-HUUCEWRRSA-N 1 1 258.390 3.240 20 30 CGEDMO Cc1ccccc1C[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000048872261 619648558 /nfs/dbraw/zinc/64/85/58/619648558.db2.gz RMGQKJDOFAWTNI-SFHVURJKSA-N 1 1 280.371 3.032 20 30 CGEDMO Cc1ncoc1C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000895055782 619703698 /nfs/dbraw/zinc/70/36/98/619703698.db2.gz XGYDVIAXNLIKTR-LBPRGKRZSA-N 1 1 255.321 3.048 20 30 CGEDMO Cc1ncoc1C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000895055782 619703701 /nfs/dbraw/zinc/70/37/01/619703701.db2.gz XGYDVIAXNLIKTR-LBPRGKRZSA-N 1 1 255.321 3.048 20 30 CGEDMO C#CCC(C)(C)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000185522183 625365785 /nfs/dbraw/zinc/36/57/85/625365785.db2.gz DVJKMALMJYPZOK-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO Cc1cc(C[NH2+]CC2(C#N)CCCC2)c2c(n1)CCCC2 ZINC000895143046 619751974 /nfs/dbraw/zinc/75/19/74/619751974.db2.gz WFQZWNFDWJYZBU-UHFFFAOYSA-N 1 1 283.419 3.442 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2ccc3oc(=O)oc3c2)C1 ZINC000895250461 619791212 /nfs/dbraw/zinc/79/12/12/619791212.db2.gz KZDWXQUHKJHEDE-LBPRGKRZSA-N 1 1 273.332 3.174 20 30 CGEDMO Cc1nn(C(C)C)c(C)c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000895313957 619804429 /nfs/dbraw/zinc/80/44/29/619804429.db2.gz OJBYOKCCJGINAE-HNNXBMFYSA-N 1 1 274.412 3.207 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2c(Cl)n[nH]c2C2CC2)C1 ZINC000895313278 619804501 /nfs/dbraw/zinc/80/45/01/619804501.db2.gz DVZVOPXOUWLPMM-JTQLQIEISA-N 1 1 278.787 3.066 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2c(Cl)n[nH]c2C2CC2)C1 ZINC000895313278 619804502 /nfs/dbraw/zinc/80/45/02/619804502.db2.gz DVZVOPXOUWLPMM-JTQLQIEISA-N 1 1 278.787 3.066 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cnn(C)c2C2CC2)C1 ZINC000895338264 619808108 /nfs/dbraw/zinc/80/81/08/619808108.db2.gz PWNMGYVLJIWXMT-ZDUSSCGKSA-N 1 1 259.397 3.086 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3CC[C@H]([C@@H]4CCCO4)C3)cc2)CC1 ZINC000895842567 619893296 /nfs/dbraw/zinc/89/32/96/619893296.db2.gz HHGKBHBCQONGJM-WMZOPIPTSA-N 1 1 296.414 3.243 20 30 CGEDMO C[N@@H+](CCCF)Cc1cccc(OCCCC#N)c1 ZINC000895898413 619903255 /nfs/dbraw/zinc/90/32/55/619903255.db2.gz RADKYBFBPUGQNV-UHFFFAOYSA-N 1 1 264.344 3.161 20 30 CGEDMO C[C@]1(C(F)(F)F)CC[N@H+](Cc2csc(C#N)c2)C1 ZINC000895939225 619912606 /nfs/dbraw/zinc/91/26/06/619912606.db2.gz QEASEEVOCUNUEU-NSHDSACASA-N 1 1 274.311 3.394 20 30 CGEDMO C[C@]1(C(F)(F)F)CC[N@@H+](Cc2csc(C#N)c2)C1 ZINC000895939225 619912609 /nfs/dbraw/zinc/91/26/09/619912609.db2.gz QEASEEVOCUNUEU-NSHDSACASA-N 1 1 274.311 3.394 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCC[C@@H](C#N)C2)c(-c2cnn(C)c2)c1 ZINC000896506617 620019269 /nfs/dbraw/zinc/01/92/69/620019269.db2.gz UZBOHABAGGEVSL-HNNXBMFYSA-N 1 1 294.402 3.131 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@@H](C#N)C2)c(-c2cnn(C)c2)c1 ZINC000896506617 620019272 /nfs/dbraw/zinc/01/92/72/620019272.db2.gz UZBOHABAGGEVSL-HNNXBMFYSA-N 1 1 294.402 3.131 20 30 CGEDMO CC1(C#N)CCC([NH2+]Cc2c(O)cccc2F)CC1 ZINC000896639840 620041564 /nfs/dbraw/zinc/04/15/64/620041564.db2.gz YFLXEPUQGIXSFO-UHFFFAOYSA-N 1 1 262.328 3.093 20 30 CGEDMO C#CC[N@H+](Cc1cnc(-c2ccco2)s1)C(C)C ZINC000897171066 620155278 /nfs/dbraw/zinc/15/52/78/620155278.db2.gz PHHSVHSDCSPXKL-UHFFFAOYSA-N 1 1 260.362 3.247 20 30 CGEDMO C#CC[N@@H+](Cc1cnc(-c2ccco2)s1)C(C)C ZINC000897171066 620155282 /nfs/dbraw/zinc/15/52/82/620155282.db2.gz PHHSVHSDCSPXKL-UHFFFAOYSA-N 1 1 260.362 3.247 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000897269966 620176499 /nfs/dbraw/zinc/17/64/99/620176499.db2.gz ULTPTYBFIQCVQU-ZBFHGGJFSA-N 1 1 264.413 3.065 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCCC23CC3)CC1 ZINC000985492576 620200430 /nfs/dbraw/zinc/20/04/30/620200430.db2.gz NTQPVANCKNYGSN-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)C2CCC3(CC3)CC2)CC1 ZINC000985535402 620206483 /nfs/dbraw/zinc/20/64/83/620206483.db2.gz ZOHPSXGBWBGFSE-UHFFFAOYSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)C2(CC)CCCC2)CC1 ZINC000985725345 620232346 /nfs/dbraw/zinc/23/23/46/620232346.db2.gz ZHSMUEYGMSABQC-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)c3ccccc3C)CCC[C@H]12 ZINC000989923438 620532030 /nfs/dbraw/zinc/53/20/30/620532030.db2.gz WZTKQCIYGHQHRG-PKOBYXMFSA-N 1 1 298.430 3.298 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)c3cccs3)CCC[C@H]12 ZINC000989925629 620532808 /nfs/dbraw/zinc/53/28/08/620532808.db2.gz OFQHOPIDXGPTJT-HOCLYGCPSA-N 1 1 290.432 3.051 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)C(F)=C3CCCC3)CCC[C@H]12 ZINC000990224739 620539393 /nfs/dbraw/zinc/53/93/93/620539393.db2.gz SYTXTCPJEUBWKH-YOEHRIQHSA-N 1 1 292.398 3.083 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000898516309 620595258 /nfs/dbraw/zinc/59/52/58/620595258.db2.gz PXEIFYGSNSTMCP-BZUAXINKSA-N 1 1 264.413 3.065 20 30 CGEDMO C=C(Br)C[NH2+]Cc1cc(C)ccc1NC ZINC000902199888 621192235 /nfs/dbraw/zinc/19/22/35/621192235.db2.gz ZFLGAVWTDHMMQE-UHFFFAOYSA-N 1 1 269.186 3.035 20 30 CGEDMO C=CCCC[N@H+](CC)CN1C(=O)C[C@H]1c1ccccc1 ZINC000902669016 621396196 /nfs/dbraw/zinc/39/61/96/621396196.db2.gz HJJWQNCLCOJYSB-INIZCTEOSA-N 1 1 272.392 3.206 20 30 CGEDMO CC(C)n1cc([C@H](C)[NH2+][C@@H](C)c2cc(C#N)ccn2)cn1 ZINC000902801856 621440754 /nfs/dbraw/zinc/44/07/54/621440754.db2.gz FYGXKQHJDLLYIF-STQMWFEESA-N 1 1 283.379 3.142 20 30 CGEDMO C=CC[C@@H]([NH2+][C@H](C)c1cn(CCC)nn1)c1ccncc1 ZINC000902807352 621443556 /nfs/dbraw/zinc/44/35/56/621443556.db2.gz YFHWKZOPEDVDJC-UKRRQHHQSA-N 1 1 285.395 3.051 20 30 CGEDMO COCc1cc(C[NH2+][C@@H](C)c2cc(C#N)ccn2)ccc1F ZINC000902808488 621444314 /nfs/dbraw/zinc/44/43/14/621444314.db2.gz JLQRPJJWJLFAPS-LBPRGKRZSA-N 1 1 299.349 3.090 20 30 CGEDMO CC[C@H](NCC[N@@H+]1CCC[C@@H]1C)c1cccc(C#N)c1 ZINC000902825358 621456910 /nfs/dbraw/zinc/45/69/10/621456910.db2.gz LWRWDASRKYCHMA-YOEHRIQHSA-N 1 1 271.408 3.083 20 30 CGEDMO CC[C@H](NCC[N@H+]1CCC[C@@H]1C)c1cccc(C#N)c1 ZINC000902825358 621456915 /nfs/dbraw/zinc/45/69/15/621456915.db2.gz LWRWDASRKYCHMA-YOEHRIQHSA-N 1 1 271.408 3.083 20 30 CGEDMO CCc1nnc([C@H](C)[NH2+][C@@H](CC)c2cccc(C#N)c2)[nH]1 ZINC000902889728 621486748 /nfs/dbraw/zinc/48/67/48/621486748.db2.gz PXHCCPYLTUPBJT-FZMZJTMJSA-N 1 1 283.379 3.041 20 30 CGEDMO COc1cccc(C2([NH2+][C@H](C)c3cc(C#N)ccn3)CC2)c1 ZINC000902916321 621490710 /nfs/dbraw/zinc/49/07/10/621490710.db2.gz ODHMGHPSUSEXFA-CYBMUJFWSA-N 1 1 293.370 3.302 20 30 CGEDMO CCc1nc(C)c([C@H](C)[NH2+]CC2(C#N)CCC2)s1 ZINC000903032768 621536601 /nfs/dbraw/zinc/53/66/01/621536601.db2.gz XFHBMNKFLNWMGB-JTQLQIEISA-N 1 1 263.410 3.358 20 30 CGEDMO Cc1cccc(C2=CC[N@@H+](CCO[C@H](C)C#N)CC2)c1 ZINC000801940255 621543754 /nfs/dbraw/zinc/54/37/54/621543754.db2.gz LWVKWRRCAKTFHI-OAHLLOKOSA-N 1 1 270.376 3.013 20 30 CGEDMO C[C@@H](NC[C@@H]1CC[N@H+]1C1CCCCC1)c1cc(C#N)ccn1 ZINC000903064110 621551507 /nfs/dbraw/zinc/55/15/07/621551507.db2.gz MFAFFXUTTAKYJY-PBHICJAKSA-N 1 1 298.434 3.011 20 30 CGEDMO C[C@@H]([NH2+]C[C@@H]1CCN1C1CCCCC1)c1cc(C#N)ccn1 ZINC000903064110 621551513 /nfs/dbraw/zinc/55/15/13/621551513.db2.gz MFAFFXUTTAKYJY-PBHICJAKSA-N 1 1 298.434 3.011 20 30 CGEDMO N#CC1(C[NH2+][C@@H]2CCSc3c(F)cccc32)CC1 ZINC000903101232 621573869 /nfs/dbraw/zinc/57/38/69/621573869.db2.gz DDJQAGPGJUZAIB-GFCCVEGCSA-N 1 1 262.353 3.256 20 30 CGEDMO COc1cc([C@H](C)[NH2+]CC2(C#N)CC2)ccc1SC ZINC000903107027 621579164 /nfs/dbraw/zinc/57/91/64/621579164.db2.gz ZMOXUMKXHYABPI-NSHDSACASA-N 1 1 276.405 3.371 20 30 CGEDMO N#CC1(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000903106205 621579462 /nfs/dbraw/zinc/57/94/62/621579462.db2.gz NKCMFCLSFCCBST-ZDUSSCGKSA-N 1 1 276.767 3.447 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CCCC1)c1cnn(CC2CCC2)c1 ZINC000903222164 621633557 /nfs/dbraw/zinc/63/35/57/621633557.db2.gz XJUJRBWOVQZPLE-AWEZNQCLSA-N 1 1 286.423 3.418 20 30 CGEDMO Cc1cccc2c1[C@@H]([NH2+]Cc1nc(C#N)cs1)CC2 ZINC000903262409 621647936 /nfs/dbraw/zinc/64/79/36/621647936.db2.gz DYELVYBHUYCBLD-ZDUSSCGKSA-N 1 1 269.373 3.100 20 30 CGEDMO Cc1ccsc1[C@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000903263339 621648424 /nfs/dbraw/zinc/64/84/24/621648424.db2.gz MFACNCYMEROPFA-VIFPVBQESA-N 1 1 263.391 3.236 20 30 CGEDMO C[C@H]1C[C@H](Nc2ccc(CCC#N)cc2)C[N@H+]1C1CC1 ZINC000903297653 621664859 /nfs/dbraw/zinc/66/48/59/621664859.db2.gz ILJMLSSLBILIAJ-BBRMVZONSA-N 1 1 269.392 3.180 20 30 CGEDMO C[C@H]1C[C@H](Nc2ccc(CCC#N)cc2)CC[N@H+]1C ZINC000903298175 621666219 /nfs/dbraw/zinc/66/62/19/621666219.db2.gz OZEBZPKGFZDQMW-XJKSGUPXSA-N 1 1 257.381 3.037 20 30 CGEDMO C[C@H]([NH2+][C@@H](c1ncccn1)C1CC1)c1ccc(C#N)cc1 ZINC000903324892 621678682 /nfs/dbraw/zinc/67/86/82/621678682.db2.gz FSHHQZVNYLTETG-BLLLJJGKSA-N 1 1 278.359 3.150 20 30 CGEDMO C=CCOc1ccc(CNCCC(C)(C)[NH3+])cc1Cl ZINC000903939165 621833575 /nfs/dbraw/zinc/83/35/75/621833575.db2.gz SGNYCEDLIYXXAA-UHFFFAOYSA-N 1 1 282.815 3.122 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccccc2COC)no1 ZINC000904566589 621938782 /nfs/dbraw/zinc/93/87/82/621938782.db2.gz VDYBUBIVKDJVRR-AWEZNQCLSA-N 1 1 287.363 3.239 20 30 CGEDMO CC(C)[C@H]1[N@@H+](C[C@H](O)CC2(C#N)CCC2)CC12CCCC2 ZINC000905959531 622133621 /nfs/dbraw/zinc/13/36/21/622133621.db2.gz YCKRWUJQYFSTIO-HZPDHXFCSA-N 1 1 290.451 3.332 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H](C)C3CCC3)CCC[C@@H]12 ZINC000991327648 622533736 /nfs/dbraw/zinc/53/37/36/622533736.db2.gz FINKWQVFDVULDQ-QGPMSJSTSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC1(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CCCC1 ZINC000912524163 622675578 /nfs/dbraw/zinc/67/55/78/622675578.db2.gz XOLBOWSTBRFTKX-CABCVRRESA-N 1 1 276.424 3.008 20 30 CGEDMO CC(C)C[N@H+](CCC#N)CCC(=O)c1ccccc1 ZINC000165496649 622864246 /nfs/dbraw/zinc/86/42/46/622864246.db2.gz JRQMNAZXXPHGIZ-UHFFFAOYSA-N 1 1 258.365 3.131 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)CCC(=O)c1ccccc1 ZINC000165496649 622864247 /nfs/dbraw/zinc/86/42/47/622864247.db2.gz JRQMNAZXXPHGIZ-UHFFFAOYSA-N 1 1 258.365 3.131 20 30 CGEDMO CCC(CC)C[N@H+](CCC#N)C[C@@H](O)c1ccccc1 ZINC000173554274 623331161 /nfs/dbraw/zinc/33/11/61/623331161.db2.gz WYRDVFKFEMFNBN-QGZVFWFLSA-N 1 1 274.408 3.372 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)C[C@@H](O)c1ccccc1 ZINC000173554274 623331171 /nfs/dbraw/zinc/33/11/71/623331171.db2.gz WYRDVFKFEMFNBN-QGZVFWFLSA-N 1 1 274.408 3.372 20 30 CGEDMO C[N@@H+](CCCOc1ccc(C#N)cc1)CC1CCCC1 ZINC000064014403 623395843 /nfs/dbraw/zinc/39/58/43/623395843.db2.gz XHHKJNUDUQFWRN-UHFFFAOYSA-N 1 1 272.392 3.449 20 30 CGEDMO C=CCn1c(C)nn(C[N@@H+](CC)[C@H](C)C(C)C)c1=S ZINC000064111926 623410605 /nfs/dbraw/zinc/41/06/05/623410605.db2.gz VVTNTEFWBWPKRE-GFCCVEGCSA-N 1 1 282.457 3.232 20 30 CGEDMO C=CCn1c(C)nn(C[N@H+](CC)[C@H](C)C(C)C)c1=S ZINC000064111926 623410615 /nfs/dbraw/zinc/41/06/15/623410615.db2.gz VVTNTEFWBWPKRE-GFCCVEGCSA-N 1 1 282.457 3.232 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)CC3CC(C)(C)C3)CCC[C@@H]12 ZINC000992134751 623446293 /nfs/dbraw/zinc/44/62/93/623446293.db2.gz YTEZAWZEVFIURV-QAPCUYQASA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)c3ccc(C)cc3)CCC[C@@H]12 ZINC000992417592 623551183 /nfs/dbraw/zinc/55/11/83/623551183.db2.gz ABZCPJKKAJWDIN-MJGOQNOKSA-N 1 1 298.430 3.298 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)c3ccc(C)cc3)CCC[C@@H]12 ZINC000992420051 623551484 /nfs/dbraw/zinc/55/14/84/623551484.db2.gz HFCHSUPJNIVDNJ-IEBWSBKVSA-N 1 1 298.430 3.298 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2)[C@@H]1C ZINC000992985072 623770036 /nfs/dbraw/zinc/77/00/36/623770036.db2.gz WJGUMHIIODYXPR-DOTOQJQBSA-N 1 1 286.419 3.236 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C2CCCCC2)[C@H]1C ZINC000992988092 623772079 /nfs/dbraw/zinc/77/20/79/623772079.db2.gz UYEKKKKLYBKKIR-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C=C2CCCCC2)[C@@H]1C ZINC000993110527 623843718 /nfs/dbraw/zinc/84/37/18/623843718.db2.gz UBPPXSLANTZCGH-RDJZCZTQSA-N 1 1 290.451 3.422 20 30 CGEDMO CC(=[NH+]N[C@@H](C)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000834996880 623845319 /nfs/dbraw/zinc/84/53/19/623845319.db2.gz XEUIUHFJSOKJMH-JTQLQIEISA-N 1 1 273.302 3.017 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)c(C)o2)[C@H]1C ZINC000993210247 623966065 /nfs/dbraw/zinc/96/60/65/623966065.db2.gz URODSKFUPCWZDY-UKRRQHHQSA-N 1 1 290.407 3.055 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2coc(C)c2)[C@@H]1C ZINC000993300769 624000440 /nfs/dbraw/zinc/00/04/40/624000440.db2.gz KUBYVVHTXWEQBY-HOCLYGCPSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C2CCC(=C)CC2)[C@H]1C ZINC000993740480 624060210 /nfs/dbraw/zinc/06/02/10/624060210.db2.gz ITHFNSOYYYUBQO-WBVHZDCISA-N 1 1 290.451 3.278 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CCC[N@@H+](CC3CC3)[C@H]2C)CC1 ZINC000993747116 624060402 /nfs/dbraw/zinc/06/04/02/624060402.db2.gz WLAZOCDKIMBNSK-YOEHRIQHSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C=C)cc2)[C@H]1C ZINC000993817755 624063776 /nfs/dbraw/zinc/06/37/76/624063776.db2.gz CMBAUNFNXQMSEU-CRAIPNDOSA-N 1 1 298.430 3.488 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C2CC3(CC3)C2)[C@@H]1C ZINC000993823577 624064155 /nfs/dbraw/zinc/06/41/55/624064155.db2.gz YTRRDXXCRUIJMY-GOEBONIOSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)s2)[C@@H]1C ZINC000994354111 624205298 /nfs/dbraw/zinc/20/52/98/624205298.db2.gz UXFCFRCIBRMLDU-WDEREUQCSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)s2)[C@@H]1C ZINC000994354111 624205301 /nfs/dbraw/zinc/20/53/01/624205301.db2.gz UXFCFRCIBRMLDU-WDEREUQCSA-N 1 1 298.839 3.170 20 30 CGEDMO CCCCCCCCC[N@@H+](C)CC(=O)N1CCCC1 ZINC000919648848 624415511 /nfs/dbraw/zinc/41/55/11/624415511.db2.gz XVWDNULYCGUTEH-UHFFFAOYSA-N 1 1 268.445 3.291 20 30 CGEDMO Cc1cc2ncn(C[N@@H+](CCC#N)CC(C)C)c2cc1C ZINC000919944257 624434310 /nfs/dbraw/zinc/43/43/10/624434310.db2.gz BOXKCUWLYRPZEQ-UHFFFAOYSA-N 1 1 284.407 3.482 20 30 CGEDMO Cc1cc2ncn(C[N@H+](CCC#N)CC(C)C)c2cc1C ZINC000919944257 624434311 /nfs/dbraw/zinc/43/43/11/624434311.db2.gz BOXKCUWLYRPZEQ-UHFFFAOYSA-N 1 1 284.407 3.482 20 30 CGEDMO C=CC[N@H+](CC(=O)c1c[nH]c2ccccc21)C(C)C ZINC000920412236 624490979 /nfs/dbraw/zinc/49/09/79/624490979.db2.gz SUQGZRQDLVFRFH-UHFFFAOYSA-N 1 1 256.349 3.247 20 30 CGEDMO C=CC[N@@H+](CC(=O)c1c[nH]c2ccccc21)C(C)C ZINC000920412236 624490984 /nfs/dbraw/zinc/49/09/84/624490984.db2.gz SUQGZRQDLVFRFH-UHFFFAOYSA-N 1 1 256.349 3.247 20 30 CGEDMO CCCCCCCCCNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000920813596 624543739 /nfs/dbraw/zinc/54/37/39/624543739.db2.gz XMPRZHAHMVYZDX-OAHLLOKOSA-N 1 1 283.460 3.130 20 30 CGEDMO C=CC[N@@H+](CCC(=O)C1CC1)CCc1ccccc1 ZINC000767351178 624728752 /nfs/dbraw/zinc/72/87/52/624728752.db2.gz VWCQLPBGNXEWHJ-UHFFFAOYSA-N 1 1 257.377 3.086 20 30 CGEDMO CCC(C)(C)[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC000069433212 624849536 /nfs/dbraw/zinc/84/95/36/624849536.db2.gz BNPCIWFPQSUCMF-UHFFFAOYSA-N 1 1 260.381 3.448 20 30 CGEDMO C#CCOc1ccccc1CNc1[nH+]cccc1C ZINC000184830219 625276070 /nfs/dbraw/zinc/27/60/70/625276070.db2.gz UNLRYWWWBJIYDE-UHFFFAOYSA-N 1 1 252.317 3.014 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(CC)C(=O)c2ccco2)CC1 ZINC000997893643 625763315 /nfs/dbraw/zinc/76/33/15/625763315.db2.gz JDNNHMUHWBFYBP-OAHLLOKOSA-N 1 1 290.407 3.172 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](N(CC)C(=O)c2ccoc2)CC1 ZINC000997913010 625768223 /nfs/dbraw/zinc/76/82/23/625768223.db2.gz JBYLESNXQSXWBX-INIZCTEOSA-N 1 1 290.407 3.172 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](N(CC)C(=O)C2CC=CC2)CC1 ZINC000997977282 625779860 /nfs/dbraw/zinc/77/98/60/625779860.db2.gz PDPUWASRFJZCDG-KRWDZBQOSA-N 1 1 290.451 3.232 20 30 CGEDMO CCCON=C(C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000842556964 625850075 /nfs/dbraw/zinc/85/00/75/625850075.db2.gz MTFJCZBWEGVOHA-UHFFFAOYSA-N 1 1 257.337 3.331 20 30 CGEDMO CC(C)C[C@@H](C[NH+]1CCCC1)NCc1csc(C#N)c1 ZINC000922155400 625973942 /nfs/dbraw/zinc/97/39/42/625973942.db2.gz YNVZBFAFENYZLP-HNNXBMFYSA-N 1 1 291.464 3.220 20 30 CGEDMO N#Cc1cc(CNC[C@H]2CC[N@H+]2C2CCCCC2)cs1 ZINC000922290835 625993701 /nfs/dbraw/zinc/99/37/01/625993701.db2.gz WDBAXEWUYXZSAG-OAHLLOKOSA-N 1 1 289.448 3.116 20 30 CGEDMO N#Cc1cc(C[NH2+]C[C@H]2CCN2C2CCCCC2)cs1 ZINC000922290835 625993702 /nfs/dbraw/zinc/99/37/02/625993702.db2.gz WDBAXEWUYXZSAG-OAHLLOKOSA-N 1 1 289.448 3.116 20 30 CGEDMO C=CCOc1ccc(C[NH2+]Cc2cc(N(C)C)ccn2)cc1 ZINC000922481714 626008024 /nfs/dbraw/zinc/00/80/24/626008024.db2.gz VCZJZUFKYYDHCB-UHFFFAOYSA-N 1 1 297.402 3.002 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)c2ccsc2)CC1 ZINC001005077202 626085357 /nfs/dbraw/zinc/08/53/57/626085357.db2.gz YVFMUENTINPFPT-UHFFFAOYSA-N 1 1 298.839 3.037 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC2(C)C)CC1 ZINC001005848416 626112271 /nfs/dbraw/zinc/11/22/71/626112271.db2.gz NYMZMHLZKORQJT-AWEZNQCLSA-N 1 1 298.858 3.098 20 30 CGEDMO C=CC[N@@H+](CCC(=O)N1CCCC1)CC1CCCCC1 ZINC000838839048 626265690 /nfs/dbraw/zinc/26/56/90/626265690.db2.gz AESDRJAJOVPOLV-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CC[N@@H+](C[C@H](O)c1ccccc1Br)C(C)C ZINC000751962834 626413151 /nfs/dbraw/zinc/41/31/51/626413151.db2.gz BWABGMHKAUQJBS-AWEZNQCLSA-N 1 1 298.224 3.379 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CC[C@H]2Cc2ccccc2)cc1 ZINC000752313824 626425255 /nfs/dbraw/zinc/42/52/55/626425255.db2.gz HAHBEKBUUQYPNQ-SFHVURJKSA-N 1 1 292.382 3.406 20 30 CGEDMO CCCCCCCCC(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000753710903 626463019 /nfs/dbraw/zinc/46/30/19/626463019.db2.gz ZVIQWMDZJAFDCV-CABCVRRESA-N 1 1 280.456 3.478 20 30 CGEDMO C[C@@H]1CC(N=Nc2cc(F)c(F)c(F)c2)C[N@H+]1C1CC1 ZINC000753960226 626470134 /nfs/dbraw/zinc/47/01/34/626470134.db2.gz PFERZCGUVYAACM-MRVPVSSYSA-N 1 1 283.297 3.128 20 30 CGEDMO CCCCCCCCC(=O)N1CC[N@@H+](CC)[C@H](C)C1 ZINC000754195220 626563563 /nfs/dbraw/zinc/56/35/63/626563563.db2.gz LFTFBFKTHOZGNV-OAHLLOKOSA-N 1 1 268.445 3.290 20 30 CGEDMO C[C@@H]1C[N@H+](C)CC1=NOc1ccccc1C(F)(F)F ZINC000754709714 626583282 /nfs/dbraw/zinc/58/32/82/626583282.db2.gz NQCZIUVJXLBXTF-SECBINFHSA-N 1 1 272.270 3.022 20 30 CGEDMO C[C@@H]1C[N@@H+](C)CC1=NOc1ccccc1C(F)(F)F ZINC000754709714 626583283 /nfs/dbraw/zinc/58/32/83/626583283.db2.gz NQCZIUVJXLBXTF-SECBINFHSA-N 1 1 272.270 3.022 20 30 CGEDMO CCCCCCCCNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000754852054 626590212 /nfs/dbraw/zinc/59/02/12/626590212.db2.gz YZYMDVJSHJUHQU-CVEARBPZSA-N 1 1 295.471 3.273 20 30 CGEDMO C=CCC(C)(C)COC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000835462772 634512844 /nfs/dbraw/zinc/51/28/44/634512844.db2.gz MSRUUBPXXQMRGM-UHFFFAOYSA-N 1 1 285.347 3.026 20 30 CGEDMO C[C@@H]1C[N@H+](C2CC2)CC1N=Nc1cccc2ncccc12 ZINC000755893529 626657196 /nfs/dbraw/zinc/65/71/96/626657196.db2.gz VPFPSRTVNHZVOU-GFCCVEGCSA-N 1 1 280.375 3.117 20 30 CGEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1sccc1C(C)C ZINC000756552662 626714587 /nfs/dbraw/zinc/71/45/87/626714587.db2.gz RSYWJDAMFSWVBQ-ZDUSSCGKSA-N 1 1 291.416 3.126 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1sccc1C(C)C ZINC000756552662 626714589 /nfs/dbraw/zinc/71/45/89/626714589.db2.gz RSYWJDAMFSWVBQ-ZDUSSCGKSA-N 1 1 291.416 3.126 20 30 CGEDMO COc1cccc(/C=N/[C@H]2C[N@@H+](C)Cc3ccccc32)c1O ZINC000756841455 626736705 /nfs/dbraw/zinc/73/67/05/626736705.db2.gz VBVPYTYMHNUBIC-JJLFXSABSA-N 1 1 296.370 3.006 20 30 CGEDMO Cc1ccc(N=NC2C[C@@H](C)[N@H+](Cc3ccccc3)C2)nc1 ZINC000757574739 626789522 /nfs/dbraw/zinc/78/95/22/626789522.db2.gz LLVAOBDBTNKXEA-OAHLLOKOSA-N 1 1 294.402 3.452 20 30 CGEDMO CCCCCCCCC[N@H+](C)Cn1cccc(C#N)c1=O ZINC000758197569 626832752 /nfs/dbraw/zinc/83/27/52/626832752.db2.gz LNSHXDKIZJJVKB-UHFFFAOYSA-N 1 1 289.423 3.360 20 30 CGEDMO CCCCCCCCC[N@@H+](C)Cn1cccc(C#N)c1=O ZINC000758197569 626832753 /nfs/dbraw/zinc/83/27/53/626832753.db2.gz LNSHXDKIZJJVKB-UHFFFAOYSA-N 1 1 289.423 3.360 20 30 CGEDMO CC1(C#N)CC[NH+](C[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759864266 626928026 /nfs/dbraw/zinc/92/80/26/626928026.db2.gz GEXGAXBKWBTNQA-CQSZACIVSA-N 1 1 296.773 3.138 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000760965445 627006298 /nfs/dbraw/zinc/00/62/98/627006298.db2.gz NRTJWRHMXOWGGW-CQSZACIVSA-N 1 1 264.417 3.263 20 30 CGEDMO CCCCCCC[N@@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000760965445 627006300 /nfs/dbraw/zinc/00/63/00/627006300.db2.gz NRTJWRHMXOWGGW-CQSZACIVSA-N 1 1 264.417 3.263 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000760965445 627006306 /nfs/dbraw/zinc/00/63/06/627006306.db2.gz NRTJWRHMXOWGGW-CQSZACIVSA-N 1 1 264.417 3.263 20 30 CGEDMO CCCCCCC[N@@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000760965445 627006311 /nfs/dbraw/zinc/00/63/11/627006311.db2.gz NRTJWRHMXOWGGW-CQSZACIVSA-N 1 1 264.417 3.263 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000760965445 627006316 /nfs/dbraw/zinc/00/63/16/627006316.db2.gz NRTJWRHMXOWGGW-CQSZACIVSA-N 1 1 264.417 3.263 20 30 CGEDMO C=CCc1cc(C[N@@H+](C)[C@@H]2CCSC2)c(O)c(OC)c1 ZINC000125026063 634548393 /nfs/dbraw/zinc/54/83/93/634548393.db2.gz QOUITSSWROKVJQ-CQSZACIVSA-N 1 1 293.432 3.067 20 30 CGEDMO C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)[C@H]2CCCC[C@@H]12 ZINC000763233079 627146018 /nfs/dbraw/zinc/14/60/18/627146018.db2.gz YCRYEPBBZVGGSI-FCLVOEFKSA-N 1 1 298.430 3.492 20 30 CGEDMO C#CC[N@@H+](Cc1cn(-c2ccc(Cl)cc2)nc1C)C1CC1 ZINC000764677040 627217751 /nfs/dbraw/zinc/21/77/51/627217751.db2.gz QXOXPPIVMKIBKW-UHFFFAOYSA-N 1 1 299.805 3.432 20 30 CGEDMO C#CC[N@H+](Cc1cn(-c2ccc(Cl)cc2)nc1C)C1CC1 ZINC000764677040 627217753 /nfs/dbraw/zinc/21/77/53/627217753.db2.gz QXOXPPIVMKIBKW-UHFFFAOYSA-N 1 1 299.805 3.432 20 30 CGEDMO CC(C)[N@@H+]1CC(=NNCc2cnc3ccccc3c2)[C@H](C)C1 ZINC000764779796 627223242 /nfs/dbraw/zinc/22/32/42/627223242.db2.gz VFNVSKSZSCTTCL-CQSZACIVSA-N 1 1 296.418 3.041 20 30 CGEDMO Clc1cnc(N=NC2CC[N@H+]3CCC[C@H]23)c(Cl)c1 ZINC000765558858 627259393 /nfs/dbraw/zinc/25/93/93/627259393.db2.gz GZEDIOXRDLGMJU-LLVKDONJSA-N 1 1 285.178 3.024 20 30 CGEDMO C#CCOc1ccc([C@@H](C)N[C@H](C)C[NH+](CC)CC)cc1 ZINC000765769425 627269724 /nfs/dbraw/zinc/26/97/24/627269724.db2.gz UUHMIHLKYCVTFI-HZPDHXFCSA-N 1 1 288.435 3.080 20 30 CGEDMO C#CCOc1ccc([C@H](C)NCC[N@@H+](CC)CCC)cc1 ZINC000766400680 627327501 /nfs/dbraw/zinc/32/75/01/627327501.db2.gz OOHRNIRSQHKRSG-INIZCTEOSA-N 1 1 288.435 3.081 20 30 CGEDMO C#CCOc1ccc([C@H](C)NCC[N@H+](CC)CCC)cc1 ZINC000766400680 627327503 /nfs/dbraw/zinc/32/75/03/627327503.db2.gz OOHRNIRSQHKRSG-INIZCTEOSA-N 1 1 288.435 3.081 20 30 CGEDMO C#CCCC[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000766894244 627367474 /nfs/dbraw/zinc/36/74/74/627367474.db2.gz BLZMKANUFITTLL-UHFFFAOYSA-N 1 1 254.377 3.430 20 30 CGEDMO C#CCCC[N@H+](C)[C@@H]1CCCc2cc(OC)ccc21 ZINC000766897012 627368337 /nfs/dbraw/zinc/36/83/37/627368337.db2.gz ZCLCXPMXYSVPDO-QGZVFWFLSA-N 1 1 257.377 3.418 20 30 CGEDMO CC(C)[N@@H+](CCC(=O)C1CC1)Cc1ccc(C#N)cc1 ZINC000767353240 627400104 /nfs/dbraw/zinc/40/01/04/627400104.db2.gz FGUCYBOESKOLRY-UHFFFAOYSA-N 1 1 270.376 3.138 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cccc2ccsc21 ZINC000767974114 627447486 /nfs/dbraw/zinc/44/74/86/627447486.db2.gz QUGLDQSVMQNVEZ-AWEZNQCLSA-N 1 1 299.395 3.156 20 30 CGEDMO C#CCOc1ccc(C[N@@H+](CCC#N)CC(C)(C)C)cc1 ZINC000769335496 627543781 /nfs/dbraw/zinc/54/37/81/627543781.db2.gz KIWLCWXCWMBGDU-UHFFFAOYSA-N 1 1 284.403 3.460 20 30 CGEDMO C#CCOc1ccc(C[N@H+](CCC#N)CC(C)(C)C)cc1 ZINC000769335496 627543782 /nfs/dbraw/zinc/54/37/82/627543782.db2.gz KIWLCWXCWMBGDU-UHFFFAOYSA-N 1 1 284.403 3.460 20 30 CGEDMO C#CCOc1ccc(C[NH+]2Cc3ccccc3C2)cc1 ZINC000769338638 627543816 /nfs/dbraw/zinc/54/38/16/627543816.db2.gz SMZMPSQTUUNVQS-UHFFFAOYSA-N 1 1 263.340 3.214 20 30 CGEDMO C#CCOc1ccc(C[N@H+](C)[C@H](C)CCSC)cc1 ZINC000769464223 627555864 /nfs/dbraw/zinc/55/58/64/627555864.db2.gz XBMSBHAPFXSYBK-CQSZACIVSA-N 1 1 277.433 3.272 20 30 CGEDMO C=C(Cl)C[NH2+][C@H](C)c1ccc(NC(C)=O)cc1OC ZINC000773005617 627840815 /nfs/dbraw/zinc/84/08/15/627840815.db2.gz SHERYECFCJGAQD-SNVBAGLBSA-N 1 1 282.771 3.057 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(F)cc1C(F)(F)F ZINC000775184044 628070987 /nfs/dbraw/zinc/07/09/87/628070987.db2.gz SYIXVSJGZYTCLR-VIFPVBQESA-N 1 1 259.246 3.298 20 30 CGEDMO CC(C)n1ccc(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)n1 ZINC000775337026 628083970 /nfs/dbraw/zinc/08/39/70/628083970.db2.gz WVTDUGHHLZGISV-CQSZACIVSA-N 1 1 298.390 3.217 20 30 CGEDMO C#C[C@H]([NH2+][C@H](CC)c1cc(F)ccc1F)[C@H]1CCCO1 ZINC000775574117 628109901 /nfs/dbraw/zinc/10/99/01/628109901.db2.gz NRLKAGRLJOZDTH-OWCLPIDISA-N 1 1 279.330 3.186 20 30 CGEDMO C#C[C@H]([NH2+][C@H](C)c1cc(Cl)ccc1OC)[C@H]1CCCO1 ZINC000775575853 628110307 /nfs/dbraw/zinc/11/03/07/628110307.db2.gz ZMEFAPPRRJMMOW-DIOULYMOSA-N 1 1 293.794 3.180 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000775611146 628113198 /nfs/dbraw/zinc/11/31/98/628113198.db2.gz XDSZHBAMRYDWAL-AWEZNQCLSA-N 1 1 282.428 3.284 20 30 CGEDMO C#CC[N@H+](Cc1nc2c(s1)CCC2)C1CCCC1 ZINC000775727508 628127697 /nfs/dbraw/zinc/12/76/97/628127697.db2.gz FANNTCLOKBRYLD-UHFFFAOYSA-N 1 1 260.406 3.010 20 30 CGEDMO C#CC[N@@H+](Cc1nc2c(s1)CCC2)C1CCCC1 ZINC000775727508 628127698 /nfs/dbraw/zinc/12/76/98/628127698.db2.gz FANNTCLOKBRYLD-UHFFFAOYSA-N 1 1 260.406 3.010 20 30 CGEDMO CC(C)[C@H]1CC[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000775765461 628134172 /nfs/dbraw/zinc/13/41/72/628134172.db2.gz OROVYCHADVBMKI-QGZVFWFLSA-N 1 1 271.408 3.267 20 30 CGEDMO C#CCCC[N@@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000775839263 628141162 /nfs/dbraw/zinc/14/11/62/628141162.db2.gz VIWOKJKXFFHUFC-OAGGEKHMSA-N 1 1 291.435 3.375 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776583862 628221365 /nfs/dbraw/zinc/22/13/65/628221365.db2.gz GMTMZVVTDWRVOL-MRXNPFEDSA-N 1 1 292.379 3.306 20 30 CGEDMO CC(C)[C@@H](Cc1ccccc1)N=NC1CC[N@H+]2CCC[C@H]12 ZINC000777449759 628272065 /nfs/dbraw/zinc/27/20/65/628272065.db2.gz YUZXKXSNNJWKQY-QZTJIDSGSA-N 1 1 285.435 3.067 20 30 CGEDMO Cc1cc2cc(C=NNc3cc[nH+]cc3)oc2cc1C ZINC000779808719 628433446 /nfs/dbraw/zinc/43/34/46/628433446.db2.gz OUSXONOBIIAMOA-UHFFFAOYSA-N 1 1 265.316 3.313 20 30 CGEDMO COc1ccc2cc(C=NNc3cc[nH+]cc3)ccc2c1 ZINC000779809555 628433864 /nfs/dbraw/zinc/43/38/64/628433864.db2.gz YYHLNKOPNDUSPG-UHFFFAOYSA-N 1 1 277.327 3.111 20 30 CGEDMO C=CCC(=NNc1cc[nH+]cc1)c1ccc(F)cc1 ZINC000779812594 628434654 /nfs/dbraw/zinc/43/46/54/628434654.db2.gz SYFNUVVDWPTQRG-UHFFFAOYSA-N 1 1 255.296 3.035 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000781903400 628604313 /nfs/dbraw/zinc/60/43/13/628604313.db2.gz AGJNHDZKYOVYRQ-GFCCVEGCSA-N 1 1 255.720 3.382 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)nc1 ZINC000783292872 628699583 /nfs/dbraw/zinc/69/95/83/628699583.db2.gz CSXKAAHACQIQBF-MRXNPFEDSA-N 1 1 297.333 3.096 20 30 CGEDMO N#CCc1ccc(CO[NH+]=C(N)CCc2ccccc2)cc1 ZINC000784047457 628772116 /nfs/dbraw/zinc/77/21/16/628772116.db2.gz OBGORWVUVAKFJD-UHFFFAOYSA-N 1 1 293.370 3.384 20 30 CGEDMO COCC#CC[N@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000784481383 628815425 /nfs/dbraw/zinc/81/54/25/628815425.db2.gz BRKGOMSPZVXXSY-CQSZACIVSA-N 1 1 297.320 3.145 20 30 CGEDMO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cccnc1Cl ZINC000785617584 628874958 /nfs/dbraw/zinc/87/49/58/628874958.db2.gz OGBQCNYJRAUGSW-OAHLLOKOSA-N 1 1 283.762 3.384 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(F)cc1F ZINC000785998157 628906811 /nfs/dbraw/zinc/90/68/11/628906811.db2.gz XBDMIJUBHIPINZ-DOMZBBRYSA-N 1 1 267.319 3.039 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000785998305 628906821 /nfs/dbraw/zinc/90/68/21/628906821.db2.gz CNLSJTYOKSUBFS-CYBMUJFWSA-N 1 1 264.300 3.274 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000785998305 628906824 /nfs/dbraw/zinc/90/68/24/628906824.db2.gz CNLSJTYOKSUBFS-CYBMUJFWSA-N 1 1 264.300 3.274 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(=O)oc2cc(OC)ccc12 ZINC000785999708 628907103 /nfs/dbraw/zinc/90/71/03/628907103.db2.gz YNLFHVMUBCLWHX-CQSZACIVSA-N 1 1 299.370 3.342 20 30 CGEDMO C[N@@H+](Cc1ccc(OCC#N)cc1)C1(C)CCCC1 ZINC000786219735 628919390 /nfs/dbraw/zinc/91/93/90/628919390.db2.gz TYPXLXMLWAYUHU-UHFFFAOYSA-N 1 1 258.365 3.353 20 30 CGEDMO N#Cc1ccccc1COC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000786877082 628968062 /nfs/dbraw/zinc/96/80/62/628968062.db2.gz CPGBXCBQDXVCDW-QGZVFWFLSA-N 1 1 298.386 3.008 20 30 CGEDMO COc1cc(N=NC2C[N@H+](C3CC3)C[C@@H]2C)ccc1Cl ZINC000788468758 629056171 /nfs/dbraw/zinc/05/61/71/629056171.db2.gz XWYUWWCLYMTIGT-JTQLQIEISA-N 1 1 293.798 3.231 20 30 CGEDMO COc1cc(N=NC2C[N@H+](C(C)C)C[C@@H]2C)ccc1Cl ZINC000788472078 629056973 /nfs/dbraw/zinc/05/69/73/629056973.db2.gz OKLUHAPRBHLWHX-NSHDSACASA-N 1 1 295.814 3.477 20 30 CGEDMO C#CC[N@H+](C[C@@H]1CC[C@@H](C)O1)[C@H]1CCc2ccccc21 ZINC000789308716 629123106 /nfs/dbraw/zinc/12/31/06/629123106.db2.gz AZCAEARBAGOVHQ-HFTRVMKXSA-N 1 1 269.388 3.177 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)[C@H](C)CCc2ccccc2)n1 ZINC000789325371 629124506 /nfs/dbraw/zinc/12/45/06/629124506.db2.gz DBGSRXIRVOZAMD-QGZVFWFLSA-N 1 1 295.430 3.360 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)C[C@H]2CCCC[C@H]2C)n1 ZINC000789761804 629166242 /nfs/dbraw/zinc/16/62/42/629166242.db2.gz JABMHFSVXPKDSV-HZPDHXFCSA-N 1 1 273.424 3.165 20 30 CGEDMO CCCCCCCCC[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000792230907 629350719 /nfs/dbraw/zinc/35/07/19/629350719.db2.gz ILWUJOUJDHYRLB-MRXNPFEDSA-N 1 1 295.471 3.227 20 30 CGEDMO C#CC[N@@H+](C)CCCOc1cccc2ccccc21 ZINC000792298055 629354721 /nfs/dbraw/zinc/35/47/21/629354721.db2.gz DBRSECQFAUFGKJ-UHFFFAOYSA-N 1 1 253.345 3.174 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000862399969 629363719 /nfs/dbraw/zinc/36/37/19/629363719.db2.gz IVWSXEGOGJMNRN-AWEZNQCLSA-N 1 1 252.361 3.403 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000862442783 629375343 /nfs/dbraw/zinc/37/53/43/629375343.db2.gz HSZHNSZXDBDJDZ-AWEZNQCLSA-N 1 1 299.805 3.371 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000862442784 629375519 /nfs/dbraw/zinc/37/55/19/629375519.db2.gz HSZHNSZXDBDJDZ-CQSZACIVSA-N 1 1 299.805 3.371 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000862443019 629375795 /nfs/dbraw/zinc/37/57/95/629375795.db2.gz KPEGKQGFBBEARS-OAHLLOKOSA-N 1 1 286.394 3.271 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2nc3ccccc3n2CCC)C1 ZINC000862444093 629376608 /nfs/dbraw/zinc/37/66/08/629376608.db2.gz XOCVUYSYLXPESP-OAHLLOKOSA-N 1 1 281.403 3.292 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OC)C1 ZINC000862443608 629376705 /nfs/dbraw/zinc/37/67/05/629376705.db2.gz QYLGRIXWSWJJNF-GFCCVEGCSA-N 1 1 263.768 3.194 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2C)C1 ZINC000862444106 629377253 /nfs/dbraw/zinc/37/72/53/629377253.db2.gz XTUHXHSHQPPSAE-MRXNPFEDSA-N 1 1 279.387 3.026 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2nccc3ccccc32)C1 ZINC000862445594 629379410 /nfs/dbraw/zinc/37/94/10/629379410.db2.gz XSJJSESEMUTRKE-AWEZNQCLSA-N 1 1 250.345 3.080 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792797374 629382935 /nfs/dbraw/zinc/38/29/35/629382935.db2.gz XANXLONMKBIAMG-UHFFFAOYSA-N 1 1 284.325 3.227 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1 ZINC000862473019 629384077 /nfs/dbraw/zinc/38/40/77/629384077.db2.gz AMYBHOIUEBYFSM-CVEARBPZSA-N 1 1 257.402 3.138 20 30 CGEDMO C=CCCCCC[C@@H](C)N[C@@H]1CC[NH2+]C12CCC2 ZINC000863543087 629602572 /nfs/dbraw/zinc/60/25/72/629602572.db2.gz VOVORZYPMASCPQ-HUUCEWRRSA-N 1 1 250.430 3.386 20 30 CGEDMO CCCCCCCNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000863933787 629701550 /nfs/dbraw/zinc/70/15/50/629701550.db2.gz VWGVDZMORXMSJJ-OAHLLOKOSA-N 1 1 268.445 3.338 20 30 CGEDMO C#CCC[N@@H+]1C[C@H](C)CC[C@@H]1c1ccccc1OC ZINC000796246127 629757248 /nfs/dbraw/zinc/75/72/48/629757248.db2.gz INHBRQBZFQFQBL-GDBMZVCRSA-N 1 1 257.377 3.492 20 30 CGEDMO CSCCC[N@@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000799199087 630158308 /nfs/dbraw/zinc/15/83/08/630158308.db2.gz PJBQNUAEMOEZGA-UHFFFAOYSA-N 1 1 298.839 3.427 20 30 CGEDMO C=C[C@@H](Nc1ccc([NH+]2CCC(C)CC2)cc1)C(=O)OC ZINC000799975110 630248956 /nfs/dbraw/zinc/24/89/56/630248956.db2.gz GOSOHBAIKOJEJJ-MRXNPFEDSA-N 1 1 288.391 3.062 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000801911054 630363778 /nfs/dbraw/zinc/36/37/78/630363778.db2.gz SUWXVMQBQXDTFX-NSHDSACASA-N 1 1 286.297 3.066 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000801917594 630365582 /nfs/dbraw/zinc/36/55/82/630365582.db2.gz IXQPIQPXOKNFBD-DOTOQJQBSA-N 1 1 272.392 3.185 20 30 CGEDMO Cc1ccc(C[C@@H]2CCC[N@H+](CCO[C@H](C)C#N)C2)cc1 ZINC000801914989 630366127 /nfs/dbraw/zinc/36/61/27/630366127.db2.gz IYGJUAQXSHPHAE-AEFFLSMTSA-N 1 1 286.419 3.178 20 30 CGEDMO Cc1ccc(C[N@H+](CCO[C@H](C)C#N)C2CC2)cc1C ZINC000801922144 630366808 /nfs/dbraw/zinc/36/68/08/630366808.db2.gz GNCCJJPNJLCIJA-OAHLLOKOSA-N 1 1 272.392 3.197 20 30 CGEDMO Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)CCO[C@H](C)C#N)cc1 ZINC000801923557 630367394 /nfs/dbraw/zinc/36/73/94/630367394.db2.gz KNEJVUJSRKNFCT-BPQIPLTHSA-N 1 1 286.419 3.492 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC000801925750 630367403 /nfs/dbraw/zinc/36/74/03/630367403.db2.gz INJKTLMDPHBLFT-VQIMIIECSA-N 1 1 298.430 3.285 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC000801925749 630367482 /nfs/dbraw/zinc/36/74/82/630367482.db2.gz INJKTLMDPHBLFT-QFBILLFUSA-N 1 1 298.430 3.285 20 30 CGEDMO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CCO[C@H](C)C#N ZINC000801935755 630369869 /nfs/dbraw/zinc/36/98/69/630369869.db2.gz DFWMVMQQJXQZHZ-DGCLKSJQSA-N 1 1 295.452 3.496 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000801953066 630373317 /nfs/dbraw/zinc/37/33/17/630373317.db2.gz JRQVWHZJISIFCG-CYBMUJFWSA-N 1 1 290.794 3.358 20 30 CGEDMO C=CCN1CCN(C[N@H+]2CCCC[C@H]2c2ccccc2)C1=O ZINC000840047222 630530993 /nfs/dbraw/zinc/53/09/93/630530993.db2.gz GHNIZMXJKOHUEA-KRWDZBQOSA-N 1 1 299.418 3.095 20 30 CGEDMO C=CCCCCCCNC(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000807570531 630593447 /nfs/dbraw/zinc/59/34/47/630593447.db2.gz TWNDZSFFJYVANG-INIZCTEOSA-N 1 1 295.471 3.106 20 30 CGEDMO C=CCCCCCCNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000807572280 630593827 /nfs/dbraw/zinc/59/38/27/630593827.db2.gz YFAOUQXALBRVPN-HZPDHXFCSA-N 1 1 295.471 3.247 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H](OCCC)CC2)cc1 ZINC000809573545 630752469 /nfs/dbraw/zinc/75/24/69/630752469.db2.gz PWLFKXXCEOKKDB-SFHVURJKSA-N 1 1 271.404 3.449 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CC[C@@H]2Cc2ccccc2)cc1 ZINC000809584255 630754654 /nfs/dbraw/zinc/75/46/54/630754654.db2.gz NKTLKEZVPAUXGQ-LJQANCHMSA-N 1 1 261.368 3.485 20 30 CGEDMO C#C[C@H]([NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1)C(C)C ZINC000809684419 630780051 /nfs/dbraw/zinc/78/00/51/630780051.db2.gz BEYMDRCHAPJCQL-WDSOQIARSA-N 1 1 284.447 3.144 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1nccc2ccccc21 ZINC000810238548 630857763 /nfs/dbraw/zinc/85/77/63/630857763.db2.gz KGTRLLCAOYFMNK-ZDUSSCGKSA-N 1 1 288.354 3.352 20 30 CGEDMO CCCCCCCC(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000811600142 631091432 /nfs/dbraw/zinc/09/14/32/631091432.db2.gz FMZHPQHFCDGOHQ-AWEZNQCLSA-N 1 1 256.434 3.192 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CCC1=NOC/C=C/Cl ZINC000811668628 631106626 /nfs/dbraw/zinc/10/66/26/631106626.db2.gz IKBDMANHUUQFEY-KGFRRZEGSA-N 1 1 293.798 3.049 20 30 CGEDMO CCCCCCCCCC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000814144844 631533253 /nfs/dbraw/zinc/53/32/53/631533253.db2.gz JCIUKBZIYPLPHF-HZPDHXFCSA-N 1 1 280.456 3.290 20 30 CGEDMO CC(=[NH+]Nc1cccc2c1CCCC2)c1ccc(N)nc1 ZINC000814811364 631646360 /nfs/dbraw/zinc/64/63/60/631646360.db2.gz BLLJIBKSQFQRMS-UHFFFAOYSA-N 1 1 280.375 3.379 20 30 CGEDMO C=C(Cl)COC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000815446143 631781439 /nfs/dbraw/zinc/78/14/39/631781439.db2.gz PXKLPVXJVSLCMA-CYBMUJFWSA-N 1 1 271.788 3.079 20 30 CGEDMO C=C(Cl)COC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000815446143 631781442 /nfs/dbraw/zinc/78/14/42/631781442.db2.gz PXKLPVXJVSLCMA-CYBMUJFWSA-N 1 1 271.788 3.079 20 30 CGEDMO COc1cccc2cc(C[N@H+](C)CC(C)(C)C#N)oc21 ZINC000816632010 632027103 /nfs/dbraw/zinc/02/71/03/632027103.db2.gz PMOVCHLEMQJMJI-UHFFFAOYSA-N 1 1 272.348 3.423 20 30 CGEDMO COc1cccc2cc(C[N@@H+](C)CC(C)(C)C#N)oc21 ZINC000816632010 632027107 /nfs/dbraw/zinc/02/71/07/632027107.db2.gz PMOVCHLEMQJMJI-UHFFFAOYSA-N 1 1 272.348 3.423 20 30 CGEDMO C[C@@H]1[C@@H](C)C[N@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000816649248 632037009 /nfs/dbraw/zinc/03/70/09/632037009.db2.gz WHCSEAZSBDMZSC-LSDHHAIUSA-N 1 1 294.402 3.304 20 30 CGEDMO CC(=NN1CC[NH+](C)CC1)c1ccc(-c2cccs2)cc1 ZINC000818196696 632296418 /nfs/dbraw/zinc/29/64/18/632296418.db2.gz WOQWYMGXETVIIY-UHFFFAOYSA-N 1 1 299.443 3.387 20 30 CGEDMO C[C@@H]1CC(N=Nc2cc(Cl)nc(Cl)c2)CC[N@H+]1C ZINC000819831372 632528330 /nfs/dbraw/zinc/52/83/30/632528330.db2.gz MBNCWZWTQFWAMR-MRVPVSSYSA-N 1 1 287.194 3.270 20 30 CGEDMO C[C@H]1C[N@H+](C2CC2)CC1N=Nc1cc(Cl)nc(Cl)c1 ZINC000819830149 632528564 /nfs/dbraw/zinc/52/85/64/632528564.db2.gz AMRWXOMCLKJXPP-QMMMGPOBSA-N 1 1 299.205 3.270 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000822972801 633044062 /nfs/dbraw/zinc/04/40/62/633044062.db2.gz NRCCSMYRPBELFC-CYBMUJFWSA-N 1 1 286.202 3.370 20 30 CGEDMO COc1cc(C)ccc1C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866283748 633064675 /nfs/dbraw/zinc/06/46/75/633064675.db2.gz AMMSWRQPEPUXQR-ZDUSSCGKSA-N 1 1 296.370 3.432 20 30 CGEDMO Cc1ccc(-c2noc([C@H]([NH3+])CCCC#N)n2)cc1Cl ZINC000823259751 633082779 /nfs/dbraw/zinc/08/27/79/633082779.db2.gz QJUMNJKODUBACD-GFCCVEGCSA-N 1 1 290.754 3.392 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000823618188 633127861 /nfs/dbraw/zinc/12/78/61/633127861.db2.gz PGQUMQQYRZGJCN-CJNGLKHVSA-N 1 1 298.386 3.037 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000823618190 633128191 /nfs/dbraw/zinc/12/81/91/633128191.db2.gz PGQUMQQYRZGJCN-XJKSGUPXSA-N 1 1 298.386 3.037 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CC(C)(C)C[C@@H]1c1ccccc1 ZINC000823644180 633131320 /nfs/dbraw/zinc/13/13/20/633131320.db2.gz UERCQMLTEJBQCO-GOEBONIOSA-N 1 1 272.392 3.388 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](O)c1ccc(Cl)cc1 ZINC000121159488 633217704 /nfs/dbraw/zinc/21/77/04/633217704.db2.gz GOHDWTRTUUPEIL-AWEZNQCLSA-N 1 1 253.773 3.271 20 30 CGEDMO Cc1noc(C)c1C[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000824592581 633262122 /nfs/dbraw/zinc/26/21/22/633262122.db2.gz FZBNYJMOFBANFX-UHFFFAOYSA-N 1 1 295.386 3.479 20 30 CGEDMO Cc1noc(C)c1C[N@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000824592581 633262127 /nfs/dbraw/zinc/26/21/27/633262127.db2.gz FZBNYJMOFBANFX-UHFFFAOYSA-N 1 1 295.386 3.479 20 30 CGEDMO C#CCCOc1ccc(C[NH2+]Cc2cnc(CCC)o2)cc1 ZINC000825086444 633327227 /nfs/dbraw/zinc/32/72/27/633327227.db2.gz SMCWHKKRBDJGHE-UHFFFAOYSA-N 1 1 298.386 3.319 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[NH2+][C@@H](c2ccccc2C)C1 ZINC000825161261 633332884 /nfs/dbraw/zinc/33/28/84/633332884.db2.gz BBIGSQRWNSJLNK-MRXNPFEDSA-N 1 1 286.419 3.070 20 30 CGEDMO FC1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000880238385 635948217 /nfs/dbraw/zinc/94/82/17/635948217.db2.gz DMGRYYASZIXLRC-UHFFFAOYSA-N 1 1 251.732 3.125 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@H]2CC[N@H+]2C2CCCCCC2)C1 ZINC000826654252 633423667 /nfs/dbraw/zinc/42/36/67/633423667.db2.gz NCZPEVHIUJBPCN-MRXNPFEDSA-N 1 1 290.451 3.256 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)c(C)c1OC ZINC000826861901 633437853 /nfs/dbraw/zinc/43/78/53/633437853.db2.gz NEEWVAKRISGROC-CQSZACIVSA-N 1 1 288.391 3.138 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000826861062 633438070 /nfs/dbraw/zinc/43/80/70/633438070.db2.gz AGJXFZMWDYOFGV-HUUCEWRRSA-N 1 1 283.375 3.103 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000826948452 633445745 /nfs/dbraw/zinc/44/57/45/633445745.db2.gz YXOOIQSDHXYOLZ-CYBMUJFWSA-N 1 1 261.365 3.189 20 30 CGEDMO C#CC[N@@H+](CCC[C@H]1CCOC1)[C@H]1CCc2ccccc21 ZINC000827808925 633520384 /nfs/dbraw/zinc/52/03/84/633520384.db2.gz UULYBUWZLMSZOD-LPHOPBHVSA-N 1 1 283.415 3.426 20 30 CGEDMO C#CC[N@H+](C[C@H](O)[C@@H](C)c1ccccc1)C1CCCC1 ZINC000828036446 633551819 /nfs/dbraw/zinc/55/18/19/633551819.db2.gz KSSGMUXPIRDTSD-YJBOKZPZSA-N 1 1 271.404 3.029 20 30 CGEDMO C#CC[N@H+](C[C@]1(C)CC1(Cl)Cl)C1CCCC1 ZINC000828035808 633551825 /nfs/dbraw/zinc/55/18/25/633551825.db2.gz BJWHBPIMRLOICS-LBPRGKRZSA-N 1 1 260.208 3.448 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2nc(-c3ccsc3)no2)C1 ZINC000829769284 633779217 /nfs/dbraw/zinc/77/92/17/633779217.db2.gz RVNQQEDBLKLUNB-GFCCVEGCSA-N 1 1 287.388 3.033 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2nc3ccccc3nc2C)C1 ZINC000829769611 633779387 /nfs/dbraw/zinc/77/93/87/633779387.db2.gz XOKPTKPLXWCVQP-HNNXBMFYSA-N 1 1 279.387 3.174 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2nnc(-c3ccc(C)cc3)o2)C1 ZINC000829773553 633779976 /nfs/dbraw/zinc/77/99/76/633779976.db2.gz FSUMZAKIDMQZQM-HNNXBMFYSA-N 1 1 295.386 3.280 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC000829788928 633784128 /nfs/dbraw/zinc/78/41/28/633784128.db2.gz JWVYHAANOSTRCP-HNNXBMFYSA-N 1 1 271.408 3.234 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](C[C@@H](O)c2cc(C)cc(C)c2)C1 ZINC000829785564 633784407 /nfs/dbraw/zinc/78/44/07/633784407.db2.gz WHNXFXOVRGLUGQ-SJLPKXTDSA-N 1 1 271.404 3.072 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000829793992 633785590 /nfs/dbraw/zinc/78/55/90/633785590.db2.gz PMGGPHDMRKGHCW-MRXNPFEDSA-N 1 1 279.387 3.108 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000829815285 633795788 /nfs/dbraw/zinc/79/57/88/633795788.db2.gz JAFFVZLROYYMLG-HNNXBMFYSA-N 1 1 264.372 3.470 20 30 CGEDMO Cc1[nH+]ccn1CCSc1ccc(C)cc1C#N ZINC000871685957 633824364 /nfs/dbraw/zinc/82/43/64/633824364.db2.gz LLMVRSOQIXTZEK-UHFFFAOYSA-N 1 1 257.362 3.164 20 30 CGEDMO C#CC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000830326108 633850265 /nfs/dbraw/zinc/85/02/65/633850265.db2.gz BYDVCXNPPVSIBI-UHFFFAOYSA-N 1 1 278.739 3.093 20 30 CGEDMO C=C(Cl)C[C@H]([NH3+])c1nc([C@@H](C)Oc2ccccc2)no1 ZINC000872175265 634079410 /nfs/dbraw/zinc/07/94/10/634079410.db2.gz OCEGBHFBTBZYSF-PWSUYJOCSA-N 1 1 293.754 3.352 20 30 CGEDMO Cc1cccc(F)c1N=NC1CCC[N@@H+]2CCSC[C@H]12 ZINC000872367457 634120937 /nfs/dbraw/zinc/12/09/37/634120937.db2.gz XVLBGNFYYIXKCI-CQSZACIVSA-N 1 1 293.411 3.113 20 30 CGEDMO Cc1cccc(F)c1N=NC1CCC[N@H+]2CCSC[C@H]12 ZINC000872367457 634120945 /nfs/dbraw/zinc/12/09/45/634120945.db2.gz XVLBGNFYYIXKCI-CQSZACIVSA-N 1 1 293.411 3.113 20 30 CGEDMO CSc1nnc(SC)n1[NH+]=CCCCC(C)C ZINC000872418101 634140910 /nfs/dbraw/zinc/14/09/10/634140910.db2.gz BEAFASNYNYPQOB-UHFFFAOYSA-N 1 1 272.443 3.382 20 30 CGEDMO CSc1nnc(SC)n1[NH+]=C[C@@H]1CCC[C@@H](C)C1 ZINC000872417569 634141045 /nfs/dbraw/zinc/14/10/45/634141045.db2.gz FJESBSWPQCRINK-NXEZZACHSA-N 1 1 284.454 3.382 20 30 CGEDMO C[N@@H+](Cc1cc2c(cc1O)CCCC2)[C@H]1CCC[C@@H]1C#N ZINC000872684513 634187336 /nfs/dbraw/zinc/18/73/36/634187336.db2.gz OJHRENGNWAGHSR-WBVHZDCISA-N 1 1 284.403 3.395 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835046666 634333066 /nfs/dbraw/zinc/33/30/66/634333066.db2.gz LVWGNZATQZFLEA-YVACAVLKSA-N 1 1 257.381 3.048 20 30 CGEDMO C#CCCCCCC[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000876619244 634870413 /nfs/dbraw/zinc/87/04/13/634870413.db2.gz RHANYZXFDYCNAJ-OAHLLOKOSA-N 1 1 259.397 3.173 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000876619244 634870417 /nfs/dbraw/zinc/87/04/17/634870417.db2.gz RHANYZXFDYCNAJ-OAHLLOKOSA-N 1 1 259.397 3.173 20 30 CGEDMO C#CCCCCCC[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000876619244 634870421 /nfs/dbraw/zinc/87/04/21/634870421.db2.gz RHANYZXFDYCNAJ-OAHLLOKOSA-N 1 1 259.397 3.173 20 30 CGEDMO N#Cc1cnc(Cl)c(C[NH2+][C@@H]2CCc3ccccc32)c1 ZINC000876904541 634924935 /nfs/dbraw/zinc/92/49/35/634924935.db2.gz DMSZMMKFTSCWRG-OAHLLOKOSA-N 1 1 283.762 3.384 20 30 CGEDMO C=C[C@H](C)[NH2+]Cc1nc(Cl)ccc1Br ZINC000877087896 634980468 /nfs/dbraw/zinc/98/04/68/634980468.db2.gz WBXJUADILBFEQL-ZETCQYMHSA-N 1 1 275.577 3.162 20 30 CGEDMO C[C@@H]1CC2(CCC2)C[N@@H+]1Cc1cc(C#N)cnc1Cl ZINC000877477874 635052749 /nfs/dbraw/zinc/05/27/49/635052749.db2.gz JEVDQXBWNPRHGU-LLVKDONJSA-N 1 1 275.783 3.371 20 30 CGEDMO C[C@@H]1CC2(CCC2)C[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000877477874 635052751 /nfs/dbraw/zinc/05/27/51/635052751.db2.gz JEVDQXBWNPRHGU-LLVKDONJSA-N 1 1 275.783 3.371 20 30 CGEDMO Cc1sc(C[NH2+]CC2(C#N)CC2)cc1Br ZINC000877494947 635060511 /nfs/dbraw/zinc/06/05/11/635060511.db2.gz WJLDQYDZOHLFPA-UHFFFAOYSA-N 1 1 285.210 3.212 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000877507711 635064689 /nfs/dbraw/zinc/06/46/89/635064689.db2.gz QLURAOFTQXTRJM-GRYCIOLGSA-N 1 1 275.223 3.442 20 30 CGEDMO C#CCCCCCC[N@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000877552553 635087160 /nfs/dbraw/zinc/08/71/60/635087160.db2.gz DFENOFWYZNEMNW-QGZVFWFLSA-N 1 1 275.436 3.461 20 30 CGEDMO C#CCCCCCC[N@@H+]1CC(C)(C)[C@@H]1c1nccn1C ZINC000877560673 635090557 /nfs/dbraw/zinc/09/05/57/635090557.db2.gz XXLLFTWSAYZVHM-HNNXBMFYSA-N 1 1 273.424 3.387 20 30 CGEDMO C#CCCCCCC[N@H+]1CC(C)(C)[C@@H]1c1nccn1C ZINC000877560673 635090564 /nfs/dbraw/zinc/09/05/64/635090564.db2.gz XXLLFTWSAYZVHM-HNNXBMFYSA-N 1 1 273.424 3.387 20 30 CGEDMO C#CCCCCCC[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000877573103 635098245 /nfs/dbraw/zinc/09/82/45/635098245.db2.gz NPMUPNZNBNVIPZ-OAHLLOKOSA-N 1 1 251.414 3.053 20 30 CGEDMO Cc1ccc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)c(F)c1 ZINC000877609474 635110638 /nfs/dbraw/zinc/11/06/38/635110638.db2.gz LBUJKUYOMKKATK-SFHVURJKSA-N 1 1 298.361 3.171 20 30 CGEDMO C=C(C)C[C@H]([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)C(=O)OC ZINC000877690350 635147790 /nfs/dbraw/zinc/14/77/90/635147790.db2.gz RHLASGRLLBHTRQ-TUAOUCFPSA-N 1 1 293.329 3.205 20 30 CGEDMO CSC1(C[N@@H+](C)CCc2cccc(C#N)c2)CCC1 ZINC000877704489 635157095 /nfs/dbraw/zinc/15/70/95/635157095.db2.gz JFNCCSGEXMGAEU-UHFFFAOYSA-N 1 1 274.433 3.318 20 30 CGEDMO CC([NH2+]Nc1ccc([N+](=O)[O-])cc1)=C1CC1(F)F ZINC000841605641 635194847 /nfs/dbraw/zinc/19/48/47/635194847.db2.gz YXHGVPAFRIOZJB-SNVBAGLBSA-N 1 1 255.224 3.038 20 30 CGEDMO COc1cc(F)ccc1N[NH2+]C(C)=C1CC1(F)F ZINC000841635941 635203676 /nfs/dbraw/zinc/20/36/76/635203676.db2.gz RLBSQVOTRRAAIR-VIFPVBQESA-N 1 1 258.243 3.277 20 30 CGEDMO COC(=O)c1ccc(N[NH2+]C(C)=C2CC2(F)F)c(F)c1 ZINC000841643760 635206916 /nfs/dbraw/zinc/20/69/16/635206916.db2.gz RCUBYBIPNUYJSJ-VIFPVBQESA-N 1 1 286.253 3.055 20 30 CGEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000877935551 635279587 /nfs/dbraw/zinc/27/95/87/635279587.db2.gz TYRJGGPRNGFPSN-YJBOKZPZSA-N 1 1 284.403 3.159 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)C[C@H]1C[C@@H](OC)C1 ZINC000878001705 635315650 /nfs/dbraw/zinc/31/56/50/635315650.db2.gz YWSSVOLSPYIYGP-CALCHBBNSA-N 1 1 259.393 3.142 20 30 CGEDMO C#CCCCCC[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000878031525 635329975 /nfs/dbraw/zinc/32/99/75/635329975.db2.gz BRJZSNPNCRPKQL-OAHLLOKOSA-N 1 1 294.439 3.027 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)Cc1cccc2c1CCOC2 ZINC000878120859 635366843 /nfs/dbraw/zinc/36/68/43/635366843.db2.gz CPNGNSIOUWMISK-UHFFFAOYSA-N 1 1 272.392 3.131 20 30 CGEDMO C=CC(C)(C)CC(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000878258779 635435743 /nfs/dbraw/zinc/43/57/43/635435743.db2.gz WMMMLYIDFUCRCK-UHFFFAOYSA-N 1 1 284.363 3.117 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC=C(c3ccc(Cl)nc3)CC2)o1 ZINC000878343252 635467639 /nfs/dbraw/zinc/46/76/39/635467639.db2.gz UYTXABDNKARWNA-UHFFFAOYSA-N 1 1 299.761 3.489 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC=C(c3ccc(Cl)nc3)CC2)o1 ZINC000878343252 635467645 /nfs/dbraw/zinc/46/76/45/635467645.db2.gz UYTXABDNKARWNA-UHFFFAOYSA-N 1 1 299.761 3.489 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1coc(-c2cccc(OC)c2)n1 ZINC000878513814 635538416 /nfs/dbraw/zinc/53/84/16/635538416.db2.gz HXDCDXYTFXISSL-UHFFFAOYSA-N 1 1 284.359 3.194 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1coc(-c2cccc(OC)c2)n1 ZINC000878513814 635538427 /nfs/dbraw/zinc/53/84/27/635538427.db2.gz HXDCDXYTFXISSL-UHFFFAOYSA-N 1 1 284.359 3.194 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000878563054 635556782 /nfs/dbraw/zinc/55/67/82/635556782.db2.gz KTUTXVIOCRFAAO-CZUORRHYSA-N 1 1 282.428 3.188 20 30 CGEDMO C=CC[C@H](C)[NH+]1CCC(NCc2ccccc2)CC1 ZINC000878668508 635599172 /nfs/dbraw/zinc/59/91/72/635599172.db2.gz XZYQVJFCIKFGOI-HNNXBMFYSA-N 1 1 258.409 3.205 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@@H+]1C[C@H](C)[C@H](C)[C@H]1C)c1ccccc1 ZINC000878719017 635615529 /nfs/dbraw/zinc/61/55/29/635615529.db2.gz ZRMSROGYUMQPDK-YIOZNXECSA-N 1 1 298.430 3.403 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000843422750 635666890 /nfs/dbraw/zinc/66/68/90/635666890.db2.gz IKNCDZOPLSAABD-AWEZNQCLSA-N 1 1 252.361 3.403 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000843423217 635667025 /nfs/dbraw/zinc/66/70/25/635667025.db2.gz AGISWNSWXVLJPY-WGPYJDKQSA-N 1 1 284.359 3.343 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2ccnn2-c2ccccc2)C1 ZINC000843424411 635668860 /nfs/dbraw/zinc/66/88/60/635668860.db2.gz ZQYBMBMIYPQIPI-MRXNPFEDSA-N 1 1 279.387 3.108 20 30 CGEDMO C=CCCCC[N@H+]1CCc2cccc(NC(C)=O)c2C1 ZINC000879238183 635731076 /nfs/dbraw/zinc/73/10/76/635731076.db2.gz OQYGZNPEBISINA-UHFFFAOYSA-N 1 1 272.392 3.359 20 30 CGEDMO CCN(C)c1ccc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)cc1 ZINC000879309410 635751872 /nfs/dbraw/zinc/75/18/72/635751872.db2.gz NAMIUXVULQQKDO-DOTOQJQBSA-N 1 1 271.408 3.267 20 30 CGEDMO CC(C)C[N@@H+](C)CCCN=Cc1cc2ccccc2[nH]c1=O ZINC000844270440 635851094 /nfs/dbraw/zinc/85/10/94/635851094.db2.gz HWWMYXHLKABKPA-XDHOZWIPSA-N 1 1 299.418 3.337 20 30 CGEDMO C[N@@H+](CCC1CCCC1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844371602 635882765 /nfs/dbraw/zinc/88/27/65/635882765.db2.gz ZVFOLGPWDZRKNW-QGZVFWFLSA-N 1 1 272.392 3.104 20 30 CGEDMO CC(C)c1cc([C@H]2CCC[N@H+]([C@@H](C)CCC#N)C2)[nH]n1 ZINC000879919204 635882835 /nfs/dbraw/zinc/88/28/35/635882835.db2.gz PHGKIMVBMDESHZ-KBPBESRZSA-N 1 1 274.412 3.405 20 30 CGEDMO CC(C)c1cc([C@H]2CCC[N@@H+]([C@@H](C)CCC#N)C2)n[nH]1 ZINC000879919204 635882842 /nfs/dbraw/zinc/88/28/42/635882842.db2.gz PHGKIMVBMDESHZ-KBPBESRZSA-N 1 1 274.412 3.405 20 30 CGEDMO CC(C)c1cc([C@H]2CCC[N@H+]([C@@H](C)CCC#N)C2)n[nH]1 ZINC000879919204 635882849 /nfs/dbraw/zinc/88/28/49/635882849.db2.gz PHGKIMVBMDESHZ-KBPBESRZSA-N 1 1 274.412 3.405 20 30 CGEDMO C[N@@H+](CCCC(C)(C)C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844372147 635884141 /nfs/dbraw/zinc/88/41/41/635884141.db2.gz VMSHSKHNBKCJPR-MRXNPFEDSA-N 1 1 274.408 3.350 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000844372888 635884288 /nfs/dbraw/zinc/88/42/88/635884288.db2.gz ANYZSMJTRPKAEZ-MRXNPFEDSA-N 1 1 277.795 3.037 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000879963851 635890235 /nfs/dbraw/zinc/89/02/35/635890235.db2.gz QBVMIAYXPYIARA-XJKSGUPXSA-N 1 1 272.392 3.102 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c1 ZINC000844435438 635900207 /nfs/dbraw/zinc/90/02/07/635900207.db2.gz NWBRXXZDWKNOLT-AWEZNQCLSA-N 1 1 262.303 3.179 20 30 CGEDMO CN1CCC[C@H]2[C@H]1CC[N@H+]2CCC1(C#N)CCCCC1 ZINC000880142619 635924499 /nfs/dbraw/zinc/92/44/99/635924499.db2.gz RFLJBFKTPRKDKA-CVEARBPZSA-N 1 1 275.440 3.019 20 30 CGEDMO C[N@@H+]1CCC[C@H]2[C@H]1CCN2CCC1(C#N)CCCCC1 ZINC000880142619 635924501 /nfs/dbraw/zinc/92/45/01/635924501.db2.gz RFLJBFKTPRKDKA-CVEARBPZSA-N 1 1 275.440 3.019 20 30 CGEDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2CCC1(C#N)CCCCC1 ZINC000880142619 635924502 /nfs/dbraw/zinc/92/45/02/635924502.db2.gz RFLJBFKTPRKDKA-CVEARBPZSA-N 1 1 275.440 3.019 20 30 CGEDMO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)c1 ZINC000880189058 635932031 /nfs/dbraw/zinc/93/20/31/635932031.db2.gz WVJBJURLDZXQQX-OALUTQOASA-N 1 1 289.382 3.021 20 30 CGEDMO C=CCCC[C@H]([NH2+]Cc1cnon1)c1ccccc1 ZINC000880390877 635991970 /nfs/dbraw/zinc/99/19/70/635991970.db2.gz XPSQQRJZHIHBBS-HNNXBMFYSA-N 1 1 257.337 3.257 20 30 CGEDMO CC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@H](CO)c1ccccc1 ZINC000880462139 636004480 /nfs/dbraw/zinc/00/44/80/636004480.db2.gz PIJJBWRSKUUATF-GOSISDBHSA-N 1 1 298.361 3.253 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)OC[C@H]1CC[N@H+]1C(C)(C)C ZINC000845732538 636089395 /nfs/dbraw/zinc/08/93/95/636089395.db2.gz QWQUINMMDZRHQJ-CHWSQXEVSA-N 1 1 253.386 3.005 20 30 CGEDMO Cc1cc(C#N)ccc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000846754352 636228920 /nfs/dbraw/zinc/22/89/20/636228920.db2.gz KIWOBNLUPGBFOA-VQIMIIECSA-N 1 1 295.430 3.320 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(C(C)C)nc2C)C1 ZINC000847017243 636311114 /nfs/dbraw/zinc/31/11/14/636311114.db2.gz AHDIBCMVIRMNFI-OAHLLOKOSA-N 1 1 256.393 3.359 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000847022931 636313887 /nfs/dbraw/zinc/31/38/87/636313887.db2.gz KCERNYWFNURJDU-CABCVRRESA-N 1 1 295.386 3.451 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2OC)C1 ZINC000847024506 636315659 /nfs/dbraw/zinc/31/56/59/636315659.db2.gz JOYJLJCDKUXQHA-LBPRGKRZSA-N 1 1 263.768 3.194 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000847023235 636316012 /nfs/dbraw/zinc/31/60/12/636316012.db2.gz ZUJUDPKXHDDKIG-NSHDSACASA-N 1 1 278.739 3.093 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000847023235 636316015 /nfs/dbraw/zinc/31/60/15/636316015.db2.gz ZUJUDPKXHDDKIG-NSHDSACASA-N 1 1 278.739 3.093 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(C)nc3ccccc23)C1 ZINC000847025682 636316665 /nfs/dbraw/zinc/31/66/65/636316665.db2.gz OGVCJTDOPLRCTQ-HNNXBMFYSA-N 1 1 264.372 3.388 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc3oc(C(=O)OC)cc3c2)C1 ZINC000847026558 636317508 /nfs/dbraw/zinc/31/75/08/636317508.db2.gz QAGYSYWKMQPEME-ZDUSSCGKSA-N 1 1 297.354 3.065 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000847026504 636317729 /nfs/dbraw/zinc/31/77/29/636317729.db2.gz FJWBDKSPVWWOHZ-QWHCGFSZSA-N 1 1 258.321 3.001 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C(C)C)c2)C1 ZINC000847032667 636318470 /nfs/dbraw/zinc/31/84/70/636318470.db2.gz YJOYYXSKNXZMHW-HNNXBMFYSA-N 1 1 284.403 3.094 20 30 CGEDMO C#C[C@H]1CCC[N@H+](CC(=O)Nc2cccc(C(C)C)c2)C1 ZINC000847032667 636318479 /nfs/dbraw/zinc/31/84/79/636318479.db2.gz YJOYYXSKNXZMHW-HNNXBMFYSA-N 1 1 284.403 3.094 20 30 CGEDMO C#CCOc1ccc(C[N@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000130770506 636510229 /nfs/dbraw/zinc/51/02/29/636510229.db2.gz BGVLFCDTKKBLLH-UHFFFAOYSA-N 1 1 290.366 3.202 20 30 CGEDMO C#Cc1ccc(C[NH2+]Cc2ncc(CSC)s2)cc1 ZINC000883132020 636549473 /nfs/dbraw/zinc/54/94/73/636549473.db2.gz CRQSUSQBNCERCW-UHFFFAOYSA-N 1 1 288.441 3.277 20 30 CGEDMO COc1cccc(N=NC2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000848401780 636567627 /nfs/dbraw/zinc/56/76/27/636567627.db2.gz IZBVMQQRTONFMG-INIZCTEOSA-N 1 1 273.380 3.111 20 30 CGEDMO C=CCC[C@H](COc1ccccc1)[NH2+]Cc1cn[nH]c1C ZINC000883204997 636583002 /nfs/dbraw/zinc/58/30/02/636583002.db2.gz MUYMDRJIWBWZSH-MRXNPFEDSA-N 1 1 285.391 3.222 20 30 CGEDMO Cc1cc(F)cc(-c2noc([C@H]([NH3+])CCCCC#N)n2)c1 ZINC000848620685 636620389 /nfs/dbraw/zinc/62/03/89/636620389.db2.gz GAIXBDGPOLKZOU-CYBMUJFWSA-N 1 1 288.326 3.268 20 30 CGEDMO C[C@H](c1cccs1)c1noc([C@@H]([NH3+])CCCCC#N)n1 ZINC000848623471 636621846 /nfs/dbraw/zinc/62/18/46/636621846.db2.gz JYTKNHHXEIGSOA-MNOVXSKESA-N 1 1 290.392 3.367 20 30 CGEDMO N#CCCCC[C@@H]([NH3+])c1nc(CC2CCCCC2)no1 ZINC000848622741 636622360 /nfs/dbraw/zinc/62/23/60/636622360.db2.gz YFONFRBSCJMEMM-CYBMUJFWSA-N 1 1 276.384 3.276 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC000848923776 636695643 /nfs/dbraw/zinc/69/56/43/636695643.db2.gz PPXMQSWGVLQKKU-GFCCVEGCSA-N 1 1 293.794 3.202 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC000848923776 636695645 /nfs/dbraw/zinc/69/56/45/636695645.db2.gz PPXMQSWGVLQKKU-GFCCVEGCSA-N 1 1 293.794 3.202 20 30 CGEDMO CCOc1ccc(O)c(/C=N\C[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000849169718 636761851 /nfs/dbraw/zinc/76/18/51/636761851.db2.gz HVQKEJZVNLKBFA-DZBQEORWSA-N 1 1 290.407 3.083 20 30 CGEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@H]2c2ccccc2)CCC1 ZINC000885929770 637317513 /nfs/dbraw/zinc/31/75/13/637317513.db2.gz ULMLFBZYIZARIU-IRXDYDNUSA-N 1 1 284.403 3.268 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1C[C@@]12CCOC2 ZINC000885954008 637329441 /nfs/dbraw/zinc/32/94/41/637329441.db2.gz LCTAGOCNOQNHSB-ZWKOTPCHSA-N 1 1 284.403 3.197 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H]1C[C@@]12CCOC2 ZINC000886028114 637373120 /nfs/dbraw/zinc/37/31/20/637373120.db2.gz MJQDSJYFKGAJSL-AKHDSKFASA-N 1 1 296.414 3.185 20 30 CGEDMO C[C@H]1c2ccccc2C[N@@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886030750 637375657 /nfs/dbraw/zinc/37/56/57/637375657.db2.gz TWCPXLCQZDOYGE-DZGCQCFKSA-N 1 1 270.376 3.008 20 30 CGEDMO CC(C)C[C@@H]1CCC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886040212 637380621 /nfs/dbraw/zinc/38/06/21/637380621.db2.gz UMURRHZLHNCZEH-HOTGVXAUSA-N 1 1 278.440 3.189 20 30 CGEDMO CCC[C@@H]1CCCC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886134581 637429644 /nfs/dbraw/zinc/42/96/44/637429644.db2.gz WPKXCXCLWYIMRL-CABCVRRESA-N 1 1 264.413 3.086 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@H]1C[C@]12CCOC2 ZINC000886181413 637450038 /nfs/dbraw/zinc/45/00/38/637450038.db2.gz LBCBLVHOZLTNGQ-MSOLQXFVSA-N 1 1 271.404 3.491 20 30 CGEDMO COC(CC[N@H+](Cc1ccc(C#N)cc1)CC(C)C)OC ZINC000851739209 637486725 /nfs/dbraw/zinc/48/67/25/637486725.db2.gz FWJDMPNZSVDQTC-UHFFFAOYSA-N 1 1 290.407 3.025 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCC3(CCCC3)C2)cc1 ZINC000851790385 637503526 /nfs/dbraw/zinc/50/35/26/637503526.db2.gz JTTGLXACIUTLQX-UHFFFAOYSA-N 1 1 254.377 3.367 20 30 CGEDMO C#CC[C@H]1CC[N@@H+]([C@@H](C)c2noc(-c3ccccc3)n2)C1 ZINC000886364191 637514265 /nfs/dbraw/zinc/51/42/65/637514265.db2.gz RLPDBHZQZYLWKJ-KBPBESRZSA-N 1 1 281.359 3.143 20 30 CGEDMO C#CC[C@H]1CC[N@H+]([C@@H](C)c2noc(-c3ccccc3)n2)C1 ZINC000886364191 637514268 /nfs/dbraw/zinc/51/42/68/637514268.db2.gz RLPDBHZQZYLWKJ-KBPBESRZSA-N 1 1 281.359 3.143 20 30 CGEDMO C#CC[C@H]1CC[N@H+](C[C@H](O)c2cccc3ccccc32)C1 ZINC000886365171 637515911 /nfs/dbraw/zinc/51/59/11/637515911.db2.gz BIPHTNFFGWZYFK-KXBFYZLASA-N 1 1 279.383 3.218 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000852320736 637634443 /nfs/dbraw/zinc/63/44/43/637634443.db2.gz OGGBAXOMEVPHIV-MNOVXSKESA-N 1 1 261.196 3.196 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](C)COC ZINC000852356741 637642003 /nfs/dbraw/zinc/64/20/03/637642003.db2.gz MZDMZMGCEYUXPU-LLVKDONJSA-N 1 1 298.770 3.271 20 30 CGEDMO C=CC[N@@H+](C[C@@]1(C)CC1(Cl)Cl)[C@H](C)COC ZINC000852356580 637642188 /nfs/dbraw/zinc/64/21/88/637642188.db2.gz IULZRHHJKZTXDW-GHMZBOCLSA-N 1 1 266.212 3.093 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](C[C@H](O)c2ccc(C)cc2)C1 ZINC000852410129 637647436 /nfs/dbraw/zinc/64/74/36/637647436.db2.gz IRZQKWQZHOWHJY-RDJZCZTQSA-N 1 1 259.393 3.317 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@H](c3ncccn3)C2)ccc1C#N ZINC000886686593 637651741 /nfs/dbraw/zinc/65/17/41/637651741.db2.gz UJWTVWAIBQUDDC-KRWDZBQOSA-N 1 1 292.386 3.036 20 30 CGEDMO Cc1csc(C[C@@H]2CCC[N@@H+](CCCC#N)C2)n1 ZINC000886691975 637655995 /nfs/dbraw/zinc/65/59/95/637655995.db2.gz PZODJYGAKDVADI-ZDUSSCGKSA-N 1 1 263.410 3.010 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@H]1c1ccc(OC)c(F)c1 ZINC000852519009 637672239 /nfs/dbraw/zinc/67/22/39/637672239.db2.gz SHRQYDAPGQDOGN-HNNXBMFYSA-N 1 1 261.340 3.385 20 30 CGEDMO C=CC[N@@H+](C[C@@H](O)c1c(F)cccc1F)C(C)(C)C ZINC000852552716 637676975 /nfs/dbraw/zinc/67/69/75/637676975.db2.gz CWPAWKOVTDNRJF-CYBMUJFWSA-N 1 1 269.335 3.285 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)c1cccc(F)c1 ZINC000852685858 637695160 /nfs/dbraw/zinc/69/51/60/637695160.db2.gz LKAAUKIYWAWKGS-XHSDSOJGSA-N 1 1 261.340 3.042 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc2nsnc21 ZINC000852685726 637695574 /nfs/dbraw/zinc/69/55/74/637695574.db2.gz JJMWIMNIMKEVNF-BETUJISGSA-N 1 1 271.389 3.374 20 30 CGEDMO Cc1ccc(N[NH+]=C2CCCc3nc(N)ccc32)cc1F ZINC000853438081 637842046 /nfs/dbraw/zinc/84/20/46/637842046.db2.gz OITDAPNRUUXBAN-UHFFFAOYSA-N 1 1 284.338 3.264 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cn2cc(-c3ccccc3)cn2)C1 ZINC000853526649 637861109 /nfs/dbraw/zinc/86/11/09/637861109.db2.gz VPDZZXISHHPNND-OAHLLOKOSA-N 1 1 280.375 3.133 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cn2cc(-c3ccccc3)cn2)C1 ZINC000853526649 637861112 /nfs/dbraw/zinc/86/11/12/637861112.db2.gz VPDZZXISHHPNND-OAHLLOKOSA-N 1 1 280.375 3.133 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000853526053 637861766 /nfs/dbraw/zinc/86/17/66/637861766.db2.gz MGNAYSOCRXEBMP-CYBMUJFWSA-N 1 1 281.359 3.066 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](CN2CC3(CCCC3)CC2=O)C1 ZINC000853536597 637863983 /nfs/dbraw/zinc/86/39/83/637863983.db2.gz FKBYNVIHAHOXRC-HNNXBMFYSA-N 1 1 276.424 3.025 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(Cl)cc1C#N ZINC000887993093 637943854 /nfs/dbraw/zinc/94/38/54/637943854.db2.gz FDIOALAOAJHBDY-CQSZACIVSA-N 1 1 291.782 3.023 20 30 CGEDMO C=CCC(C)(C)c1noc([C@@H]2CCC[N@H+]2C(C)C)n1 ZINC000924080261 638295644 /nfs/dbraw/zinc/29/56/44/638295644.db2.gz NRPMNPFZCBFUFC-LBPRGKRZSA-N 1 1 263.385 3.469 20 30 CGEDMO C=CCC(C)(C)c1noc([C@@H]2CCC[N@@H+]2C(C)C)n1 ZINC000924080261 638295649 /nfs/dbraw/zinc/29/56/49/638295649.db2.gz NRPMNPFZCBFUFC-LBPRGKRZSA-N 1 1 263.385 3.469 20 30 CGEDMO CC#CC[NH2+][C@@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC000856778619 638387638 /nfs/dbraw/zinc/38/76/38/638387638.db2.gz OKWPUFJXUBTDGU-QMMMGPOBSA-N 1 1 276.689 3.428 20 30 CGEDMO N#CCCC[N@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858015373 638620256 /nfs/dbraw/zinc/62/02/56/638620256.db2.gz UOXBTIQJMSTXDV-INIZCTEOSA-N 1 1 285.391 3.106 20 30 CGEDMO N#Cc1cccc(C2(N[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2)c1 ZINC000925926211 638655783 /nfs/dbraw/zinc/65/57/83/638655783.db2.gz MQWUZRMDMJLYAH-MSOLQXFVSA-N 1 1 295.430 3.154 20 30 CGEDMO N#Cc1cccc(C2(N[C@@H]3CCC[N@H+]4CCCC[C@@H]34)CC2)c1 ZINC000925926211 638655785 /nfs/dbraw/zinc/65/57/85/638655785.db2.gz MQWUZRMDMJLYAH-MSOLQXFVSA-N 1 1 295.430 3.154 20 30 CGEDMO CC[C@H]([NH2+]Cc1occc1C)c1cccc(C#N)c1O ZINC000926471928 638774306 /nfs/dbraw/zinc/77/43/06/638774306.db2.gz SZBWEQKDWONPPI-AWEZNQCLSA-N 1 1 270.332 3.406 20 30 CGEDMO CC(C)CC[NH+]1CCC(NCc2ccc(CC#N)cc2)CC1 ZINC000926625216 638791756 /nfs/dbraw/zinc/79/17/56/638791756.db2.gz BSJZGPNHUDSUTO-UHFFFAOYSA-N 1 1 299.462 3.353 20 30 CGEDMO N#CCCc1ccc(NC(=O)[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000928400820 638880638 /nfs/dbraw/zinc/88/06/38/638880638.db2.gz ITQHMSPFWGGRIY-KRWDZBQOSA-N 1 1 297.402 3.098 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCC[C@@H]2c2ccccc2)c1 ZINC000929107502 638899060 /nfs/dbraw/zinc/89/90/60/638899060.db2.gz OEYKFGXCGMTSNX-QGZVFWFLSA-N 1 1 263.344 3.290 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCC[C@H]2c2cccc(F)c2)c1 ZINC000929314743 638918279 /nfs/dbraw/zinc/91/82/79/638918279.db2.gz RZTOCGIUWQGPJN-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1cncc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)c1 ZINC000929314743 638918282 /nfs/dbraw/zinc/91/82/82/638918282.db2.gz RZTOCGIUWQGPJN-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO COC/C(C)=C\C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000929367391 638921599 /nfs/dbraw/zinc/92/15/99/638921599.db2.gz LBKMPJPWXMAALA-ZROIWOOFSA-N 1 1 270.376 3.115 20 30 CGEDMO C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@H](O)CC#N ZINC000929384005 638922596 /nfs/dbraw/zinc/92/25/96/638922596.db2.gz RYKYKPLKOVHLSI-MWLCHTKSSA-N 1 1 287.190 3.261 20 30 CGEDMO CC[N@@H+]1CC[C@H](N(C)Cc2c(C)cc(C#N)cc2C)C[C@H]1C ZINC000929780064 638950689 /nfs/dbraw/zinc/95/06/89/638950689.db2.gz KBKIYNBCSOTTIW-AEFFLSMTSA-N 1 1 299.462 3.480 20 30 CGEDMO CC[N@H+]1CC[C@H](N(C)Cc2c(C)cc(C#N)cc2C)C[C@H]1C ZINC000929780064 638950690 /nfs/dbraw/zinc/95/06/90/638950690.db2.gz KBKIYNBCSOTTIW-AEFFLSMTSA-N 1 1 299.462 3.480 20 30 CGEDMO CCN1CC[C@H]([N@H+](C)Cc2c(C)cc(C#N)cc2C)C[C@H]1C ZINC000929780064 638950691 /nfs/dbraw/zinc/95/06/91/638950691.db2.gz KBKIYNBCSOTTIW-AEFFLSMTSA-N 1 1 299.462 3.480 20 30 CGEDMO CCN1CC[C@H]([N@@H+](C)Cc2c(C)cc(C#N)cc2C)C[C@H]1C ZINC000929780064 638950692 /nfs/dbraw/zinc/95/06/92/638950692.db2.gz KBKIYNBCSOTTIW-AEFFLSMTSA-N 1 1 299.462 3.480 20 30 CGEDMO C[C@@H]1CC[N@@H+](CC2CCC(C#N)CC2)C[C@@H]1n1ccnc1 ZINC000930055927 638971243 /nfs/dbraw/zinc/97/12/43/638971243.db2.gz UHGAXLOWUWSRGM-VXLLPVPCSA-N 1 1 286.423 3.096 20 30 CGEDMO CC(C)C[C@]1(CO)CCC[N@H+]1CC1CCC(C#N)CC1 ZINC000930254975 638986365 /nfs/dbraw/zinc/98/63/65/638986365.db2.gz FGZUCADHRAKKQA-JCYILVPMSA-N 1 1 278.440 3.189 20 30 CGEDMO CSCCC[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000930318160 638990683 /nfs/dbraw/zinc/99/06/83/638990683.db2.gz JDTUREHAXBTGCU-UHFFFAOYSA-N 1 1 268.813 3.397 20 30 CGEDMO C[C@@H]1C[C@@H](N2CCCC2)C[N@@H+]1CCCCC1(C#N)CCC1 ZINC000930456940 639003105 /nfs/dbraw/zinc/00/31/05/639003105.db2.gz KDIUXZYYCHHTHE-IAGOWNOFSA-N 1 1 289.467 3.409 20 30 CGEDMO C[C@@H]1C[C@@H](N2CCCC2)C[N@H+]1CCCCC1(C#N)CCC1 ZINC000930456940 639003109 /nfs/dbraw/zinc/00/31/09/639003109.db2.gz KDIUXZYYCHHTHE-IAGOWNOFSA-N 1 1 289.467 3.409 20 30 CGEDMO C=C(C)C[N@H+](C/C=C(/C)COC)Cc1cnn(C(C)C)c1 ZINC000930460278 639003836 /nfs/dbraw/zinc/00/38/36/639003836.db2.gz MFGACMYVVKOJFO-APSNUPSMSA-N 1 1 291.439 3.435 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccc(N)nc1 ZINC000930462718 639004434 /nfs/dbraw/zinc/00/44/34/639004434.db2.gz ZXZFTQRPSIBPNI-UHFFFAOYSA-N 1 1 299.422 3.020 20 30 CGEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccc(N)nc1 ZINC000930462718 639004439 /nfs/dbraw/zinc/00/44/39/639004439.db2.gz ZXZFTQRPSIBPNI-UHFFFAOYSA-N 1 1 299.422 3.020 20 30 CGEDMO CCOC1CC2(C1)CC[N@@H+](CC1CCC(C#N)CC1)C2 ZINC000930466071 639005487 /nfs/dbraw/zinc/00/54/87/639005487.db2.gz KOJYANXZCXXMRA-UHFFFAOYSA-N 1 1 276.424 3.207 20 30 CGEDMO CCCCCCCCCN(C)C(=O)Cn1c[nH+]cc1C ZINC000858703317 639012606 /nfs/dbraw/zinc/01/26/06/639012606.db2.gz RLLZUPZDZMJLPB-UHFFFAOYSA-N 1 1 279.428 3.401 20 30 CGEDMO CC1(C)C[C@H](O)CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000930649323 639045802 /nfs/dbraw/zinc/04/58/02/639045802.db2.gz ABMFRHCJPROYEG-OAHLLOKOSA-N 1 1 292.810 3.195 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCOC[C@H]2C2CCC2)CCC1 ZINC000930820430 639072384 /nfs/dbraw/zinc/07/23/84/639072384.db2.gz OYVOBIJSAHVMSX-INIZCTEOSA-N 1 1 276.424 3.351 20 30 CGEDMO C[N@@H+](CCCCC1(C#N)CCC1)Cc1ccns1 ZINC000930952744 639089776 /nfs/dbraw/zinc/08/97/76/639089776.db2.gz GBWRQACESCPRTJ-UHFFFAOYSA-N 1 1 263.410 3.439 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](C)CC1=CCSC1 ZINC000931071371 639106925 /nfs/dbraw/zinc/10/69/25/639106925.db2.gz KWVUXGPXSSENBY-UHFFFAOYSA-N 1 1 272.417 3.280 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000859415022 639138128 /nfs/dbraw/zinc/13/81/28/639138128.db2.gz LTHRKVNBQLCNNO-GXTWGEPZSA-N 1 1 294.345 3.073 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC000931368163 639141747 /nfs/dbraw/zinc/14/17/47/639141747.db2.gz LIPNORYZZSCKGC-ZDUSSCGKSA-N 1 1 255.365 3.318 20 30 CGEDMO CC1(C)[C@H](c2cccc(Cl)c2)CC[N@H+]1C[C@H](O)CC#N ZINC000931619432 639180995 /nfs/dbraw/zinc/18/09/95/639180995.db2.gz YCIOHVOVGJSKGC-CABCVRRESA-N 1 1 292.810 3.182 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931913928 639228525 /nfs/dbraw/zinc/22/85/25/639228525.db2.gz QLMPVLITSRVTLA-ZJUUUORDSA-N 1 1 264.266 3.045 20 30 CGEDMO CC(C)(C)OC[C@H]1CCC[N@H+]1Cc1cccc(C#N)c1F ZINC000932167511 639283801 /nfs/dbraw/zinc/28/38/01/639283801.db2.gz WHMPZOWAGPTELR-OAHLLOKOSA-N 1 1 290.382 3.477 20 30 CGEDMO N#Cc1ccc([C@H]2C[N@@H+](CC3CCCC3)CCO2)cc1 ZINC000933624962 639471260 /nfs/dbraw/zinc/47/12/60/639471260.db2.gz MDYPKEMRYYEMAA-QGZVFWFLSA-N 1 1 270.376 3.122 20 30 CGEDMO N#Cc1ccc([C@H]2C[N@@H+]([C@H]3C=CCCC3)CCO2)cc1 ZINC000933629003 639471712 /nfs/dbraw/zinc/47/17/12/639471712.db2.gz RBCVFUKQZGKBBA-DLBZAZTESA-N 1 1 268.360 3.040 20 30 CGEDMO N#Cc1ccc([C@H]2C[N@H+]([C@H]3C=CCCC3)CCO2)cc1 ZINC000933629003 639471717 /nfs/dbraw/zinc/47/17/17/639471717.db2.gz RBCVFUKQZGKBBA-DLBZAZTESA-N 1 1 268.360 3.040 20 30 CGEDMO N#CCCC[N@H+]1CCC[C@]2(C=Cc3ccccc3O2)C1 ZINC000933655552 639476324 /nfs/dbraw/zinc/47/63/24/639476324.db2.gz JRNXTPUMBGZDCQ-KRWDZBQOSA-N 1 1 268.360 3.231 20 30 CGEDMO COCc1cccc(C[N@@H+](C)Cc2cc(C#N)cs2)c1 ZINC000933774634 639488727 /nfs/dbraw/zinc/48/87/27/639488727.db2.gz VTOHODPRTJJUOK-UHFFFAOYSA-N 1 1 286.400 3.398 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1ncccc1C(F)(F)F ZINC000934460898 639612489 /nfs/dbraw/zinc/61/24/89/639612489.db2.gz STDRIGWATBUSSE-JTQLQIEISA-N 1 1 256.271 3.251 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1ncccc1C(F)(F)F ZINC000934460898 639612494 /nfs/dbraw/zinc/61/24/94/639612494.db2.gz STDRIGWATBUSSE-JTQLQIEISA-N 1 1 256.271 3.251 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1C[C@@H](O)c1ccccc1C(F)(F)F ZINC000934471145 639615790 /nfs/dbraw/zinc/61/57/90/639615790.db2.gz RXPJIJMKWSGRCJ-BXUZGUMPSA-N 1 1 285.309 3.389 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1ccccc1OCC ZINC000934473033 639616526 /nfs/dbraw/zinc/61/65/26/639616526.db2.gz VWPJELNILMTWMT-KBPBESRZSA-N 1 1 288.391 3.063 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1ccccc1OCC ZINC000934473033 639616534 /nfs/dbraw/zinc/61/65/34/639616534.db2.gz VWPJELNILMTWMT-KBPBESRZSA-N 1 1 288.391 3.063 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000934884261 639700182 /nfs/dbraw/zinc/70/01/82/639700182.db2.gz PRNCUOQXFFWKPY-SFHVURJKSA-N 1 1 299.418 3.279 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000935314857 639786060 /nfs/dbraw/zinc/78/60/60/639786060.db2.gz GUYKXMDTYWLRNG-BZUAXINKSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000935314858 639787219 /nfs/dbraw/zinc/78/72/19/639787219.db2.gz GUYKXMDTYWLRNG-OAGGEKHMSA-N 1 1 292.467 3.358 20 30 CGEDMO C#CC[N@@H+](CC[C@@H]1CCCO1)[C@@H]1CCc2ccccc21 ZINC000188875658 640155362 /nfs/dbraw/zinc/15/53/62/640155362.db2.gz QFNWHOJBLKWDIF-FUHWJXTLSA-N 1 1 269.388 3.178 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000245500418 640622733 /nfs/dbraw/zinc/62/27/33/640622733.db2.gz ACNQUKKQRHVYAB-QLFBSQMISA-N 1 1 272.392 3.455 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000248388126 640754522 /nfs/dbraw/zinc/75/45/22/640754522.db2.gz CYGLQNKNUNFSGK-GJZGRUSLSA-N 1 1 294.439 3.025 20 30 CGEDMO CCCCCCCCCNC(=O)N1CC[NH+](CC)CC1 ZINC000302932314 640821175 /nfs/dbraw/zinc/82/11/75/640821175.db2.gz HFOVQMQQFFJLGR-UHFFFAOYSA-N 1 1 283.460 3.084 20 30 CGEDMO CCCCN(C)CCNC(=[NH2+])Nc1cccc(C(C)C)c1 ZINC000304754312 640868558 /nfs/dbraw/zinc/86/85/58/640868558.db2.gz LUGKCKKPXHYDJI-UHFFFAOYSA-N 1 1 290.455 3.269 20 30 CGEDMO CC[N@@H+](CCC(C)(C)C#N)C[C@H](O)c1ccc(C)cc1 ZINC000305677284 640897353 /nfs/dbraw/zinc/89/73/53/640897353.db2.gz MEUVOXJJBSVTLJ-INIZCTEOSA-N 1 1 274.408 3.290 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CCC[N@@H+](C[C@@H](F)CC)C2)CC1 ZINC001008422600 640950567 /nfs/dbraw/zinc/95/05/67/640950567.db2.gz NZVQYFINOGTHNR-JKSUJKDBSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+](C[C@@H](F)CC)C2)CC1 ZINC001008422600 640950571 /nfs/dbraw/zinc/95/05/71/640950571.db2.gz NZVQYFINOGTHNR-JKSUJKDBSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001008451896 640950582 /nfs/dbraw/zinc/95/05/82/640950582.db2.gz UTMLICZAWCKWGP-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001014544894 640973853 /nfs/dbraw/zinc/97/38/53/640973853.db2.gz PLPMDBBTTNDPHL-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[C@H]2CCCC(C)(C)C2)C1 ZINC001015991770 640989911 /nfs/dbraw/zinc/98/99/11/640989911.db2.gz HADWBOMXVYWQCQ-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001016317469 640995561 /nfs/dbraw/zinc/99/55/61/640995561.db2.gz WZBZJRRIROVJBR-SFHVURJKSA-N 1 1 298.430 3.334 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C1CCCC1 ZINC001018165059 641021114 /nfs/dbraw/zinc/02/11/14/641021114.db2.gz HKLDTKAEJZSNKU-BHYGNILZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CCC(C)CC1 ZINC001018325719 641022058 /nfs/dbraw/zinc/02/20/58/641022058.db2.gz VRURXERDRGCHEB-BHBVFMNGSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CCC(C)CC1 ZINC001018325719 641022062 /nfs/dbraw/zinc/02/20/62/641022062.db2.gz VRURXERDRGCHEB-BHBVFMNGSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[NH+]1CCN(c2cc(-c3ccccc3)ccn2)CC1 ZINC001165031759 721865633 /nfs/dbraw/zinc/86/56/33/721865633.db2.gz UNXUDQGPNYTSBW-UHFFFAOYSA-N 1 1 279.387 3.057 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(C)cc1Cl ZINC001155394786 805576595 /nfs/dbraw/zinc/57/65/95/805576595.db2.gz VKNPAGABXMCEGQ-CYBMUJFWSA-N 1 1 294.826 3.275 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)CC(CC)CC ZINC001156035825 805645280 /nfs/dbraw/zinc/64/52/80/805645280.db2.gz IBRPYYXLLJZPTN-CYBMUJFWSA-N 1 1 288.863 3.392 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)CC(CC)CC ZINC001156035825 805645285 /nfs/dbraw/zinc/64/52/85/805645285.db2.gz IBRPYYXLLJZPTN-CYBMUJFWSA-N 1 1 288.863 3.392 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)C1(CC)CCCC1 ZINC001156131238 805656151 /nfs/dbraw/zinc/65/61/51/805656151.db2.gz JAMXHJGTIKCVBV-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO Cc1ccc(CC#N)c(NCCSCc2ccco2)[nH+]1 ZINC001156191006 805664464 /nfs/dbraw/zinc/66/44/64/805664464.db2.gz JHEOGCDYQWSBNH-UHFFFAOYSA-N 1 1 287.388 3.394 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H]1CCCC(C)(C)C1 ZINC001156373963 805678739 /nfs/dbraw/zinc/67/87/39/805678739.db2.gz HCVSTIUUPLMJDY-CVEARBPZSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1cccc(C(F)F)c1 ZINC001156510106 805706806 /nfs/dbraw/zinc/70/68/06/805706806.db2.gz HTHJMPXRDZVSNS-GFCCVEGCSA-N 1 1 296.361 3.250 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)C(C)(F)F ZINC001156629670 805721827 /nfs/dbraw/zinc/72/18/27/805721827.db2.gz QASGVRFKCSVCIP-GFCCVEGCSA-N 1 1 290.398 3.071 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1cccc2ccccc21 ZINC001156700538 805727817 /nfs/dbraw/zinc/72/78/17/805727817.db2.gz IQAAQNYPUUCZSE-OAHLLOKOSA-N 1 1 296.414 3.466 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCCNc1nccc(Cl)c1C#N ZINC001156929288 805756173 /nfs/dbraw/zinc/75/61/73/805756173.db2.gz UCRVDCIWJMVPRI-LBPRGKRZSA-N 1 1 292.814 3.283 20 30 CGEDMO C=CC[N@H+](C[C@@H](O)c1cccc(OC)c1)C(C)(C)C ZINC001250718394 805763198 /nfs/dbraw/zinc/76/31/98/805763198.db2.gz UYEFDEWUSQGFIJ-OAHLLOKOSA-N 1 1 263.381 3.015 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1ccoc1C(C)C ZINC001157196746 805789105 /nfs/dbraw/zinc/78/91/05/805789105.db2.gz WMSOYIXFNXLHHJ-CQSZACIVSA-N 1 1 292.423 3.419 20 30 CGEDMO C=CCCCCCCNC(=O)[C@@H]1CC[C@H]2C[C@H](C)C[N@@H+]2C1 ZINC001157258671 805793861 /nfs/dbraw/zinc/79/38/61/805793861.db2.gz UGIYINUCRPISQI-BBWFWOEESA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)C1CCC1 ZINC001157417472 805808804 /nfs/dbraw/zinc/80/88/04/805808804.db2.gz UOJMGHNAPZEZAY-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)CSCCC ZINC001157607373 805843391 /nfs/dbraw/zinc/84/33/91/805843391.db2.gz AOWJNKLLUGEIHA-OAHLLOKOSA-N 1 1 298.496 3.019 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C1CC(C)(C)C1 ZINC001157892737 805901220 /nfs/dbraw/zinc/90/12/20/805901220.db2.gz MTPMTAIEEIEAES-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)C1CCC1 ZINC001158117761 805922808 /nfs/dbraw/zinc/92/28/08/805922808.db2.gz FOYBFTOOMBLRPX-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[C@@H]1C ZINC001158322252 805937644 /nfs/dbraw/zinc/93/76/44/805937644.db2.gz WAFWFHNUUAOUMW-NXOAAHMSSA-N 1 1 292.467 3.310 20 30 CGEDMO C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CC(C)=C(C)C ZINC001158329257 805938050 /nfs/dbraw/zinc/93/80/50/805938050.db2.gz LICGEHGNRNIJBV-QGZVFWFLSA-N 1 1 290.451 3.069 20 30 CGEDMO CC(C)[N@H+]1CCN(c2cc(C#N)c3ccccc3n2)C[C@@H]1C ZINC001158495280 805960589 /nfs/dbraw/zinc/96/05/89/805960589.db2.gz KGCFAMXRBFEQAC-AWEZNQCLSA-N 1 1 294.402 3.025 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)C1(F)CCCCC1 ZINC001158704714 805986588 /nfs/dbraw/zinc/98/65/88/805986588.db2.gz SVZXLJJASDBTPV-OAHLLOKOSA-N 1 1 296.430 3.158 20 30 CGEDMO CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCCCCC ZINC001158825097 806008290 /nfs/dbraw/zinc/00/82/90/806008290.db2.gz LYUCWFVBBJGMAG-QGZVFWFLSA-N 1 1 292.467 3.293 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CC[C@H](N2CCCC2)C1 ZINC001252129801 806014344 /nfs/dbraw/zinc/01/43/44/806014344.db2.gz DTCMORZCIKHXGD-ROUUACIJSA-N 1 1 296.499 3.268 20 30 CGEDMO CCCCCCCC[C@H](O)CN1CC[C@H]([NH+]2CCCC2)C1 ZINC001252129801 806014351 /nfs/dbraw/zinc/01/43/51/806014351.db2.gz DTCMORZCIKHXGD-ROUUACIJSA-N 1 1 296.499 3.268 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCN(CC)[C@H](C)C1 ZINC001252134949 806019373 /nfs/dbraw/zinc/01/93/73/806019373.db2.gz ZSUMZMPXAZCFNM-IAGOWNOFSA-N 1 1 284.488 3.124 20 30 CGEDMO CCCCCCCC[C@@H](O)CN1CC[N@H+](CC)[C@H](C)C1 ZINC001252134949 806019382 /nfs/dbraw/zinc/01/93/82/806019382.db2.gz ZSUMZMPXAZCFNM-IAGOWNOFSA-N 1 1 284.488 3.124 20 30 CGEDMO CCCCCCCC[C@@H](O)CN1CC[N@@H+](CC)[C@H](C)C1 ZINC001252134949 806019392 /nfs/dbraw/zinc/01/93/92/806019392.db2.gz ZSUMZMPXAZCFNM-IAGOWNOFSA-N 1 1 284.488 3.124 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)C[C@@H]2C=CCC2)CC1 ZINC001159225600 806062447 /nfs/dbraw/zinc/06/24/47/806062447.db2.gz NNEZNSYINDEIGE-QGZVFWFLSA-N 1 1 288.435 3.057 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC001252558750 806062980 /nfs/dbraw/zinc/06/29/80/806062980.db2.gz ZSJSOIMVDQOAHB-HUUCEWRRSA-N 1 1 265.784 3.414 20 30 CGEDMO C=C[C@@](C)(O)C[N@@H+](C)Cc1ccc2ccccc2c1 ZINC001252556391 806063414 /nfs/dbraw/zinc/06/34/14/806063414.db2.gz DAKUGRWBGDLBOZ-QGZVFWFLSA-N 1 1 255.361 3.209 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC001252559151 806067006 /nfs/dbraw/zinc/06/70/06/806067006.db2.gz RNHSVLPMEJLABJ-SMDDNHRTSA-N 1 1 253.773 3.270 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)CCCC)CC1 ZINC001159280654 806071780 /nfs/dbraw/zinc/07/17/80/806071780.db2.gz BQDVODGYUZBONA-UHFFFAOYSA-N 1 1 278.440 3.281 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1c1c(F)cccc1F ZINC001252601961 806080320 /nfs/dbraw/zinc/08/03/20/806080320.db2.gz HQVALPMNXKPEMD-DOMZBBRYSA-N 1 1 281.346 3.429 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](C)CCc1cccc(Cl)c1 ZINC001252599634 806081074 /nfs/dbraw/zinc/08/10/74/806081074.db2.gz DBIBMKUTLBCFRL-OAHLLOKOSA-N 1 1 267.800 3.141 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](C)[C@H](CCC)C(=O)c1ccccc1 ZINC001252603620 806082289 /nfs/dbraw/zinc/08/22/89/806082289.db2.gz CGCMIJKFBGYOQB-IAGOWNOFSA-N 1 1 289.419 3.297 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)[C@H](CCC)C(=O)c1ccccc1 ZINC001252603620 806082299 /nfs/dbraw/zinc/08/22/99/806082299.db2.gz CGCMIJKFBGYOQB-IAGOWNOFSA-N 1 1 289.419 3.297 20 30 CGEDMO C=CCC[C@H](O)C[NH2+]CCP(C(C)C)C(C)C ZINC001252623486 806093236 /nfs/dbraw/zinc/09/32/36/806093236.db2.gz LBMITHOYYWALTP-AWEZNQCLSA-N 1 1 259.374 3.202 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[N@@H+]1CCC12COC2 ZINC001252984598 806147017 /nfs/dbraw/zinc/14/70/17/806147017.db2.gz KFAFORSALDWYBR-INIZCTEOSA-N 1 1 283.456 3.353 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[N@H+]1CCC12COC2 ZINC001252984598 806147021 /nfs/dbraw/zinc/14/70/21/806147021.db2.gz KFAFORSALDWYBR-INIZCTEOSA-N 1 1 283.456 3.353 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC001253235390 806188498 /nfs/dbraw/zinc/18/84/98/806188498.db2.gz LDTOJYUMPYPXNB-QZTJIDSGSA-N 1 1 295.467 3.376 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CC[C@@]2(CCCO2)C1 ZINC001253235797 806188675 /nfs/dbraw/zinc/18/86/75/806188675.db2.gz ODCQCANVLAGCCL-IRXDYDNUSA-N 1 1 281.440 3.129 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@H](OCC)C1 ZINC001253239672 806189662 /nfs/dbraw/zinc/18/96/62/806189662.db2.gz PVNCBTXJHCWKAQ-IAGOWNOFSA-N 1 1 283.456 3.375 20 30 CGEDMO C#C[C@H]1CCC[N@H+](C[C@H](O)CCCCCCC=C)C1 ZINC001253240999 806192914 /nfs/dbraw/zinc/19/29/14/806192914.db2.gz QNWMGERXFZLXDM-DLBZAZTESA-N 1 1 263.425 3.219 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC001253241522 806193044 /nfs/dbraw/zinc/19/30/44/806193044.db2.gz XJIKGRSVNJLMDV-ZWKOTPCHSA-N 1 1 295.467 3.376 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)C[C@@H](C)CC)CC1 ZINC001159933665 806201493 /nfs/dbraw/zinc/20/14/93/806201493.db2.gz JHZHXNGGWWDSOW-HNNXBMFYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)CC(C)(C)C2CC2)CC1 ZINC001160036863 806217931 /nfs/dbraw/zinc/21/79/31/806217931.db2.gz XLGUVWVWQLCYND-UHFFFAOYSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C[C@H](O)C[N@@H+](C[C@H](O)c1ccc2ccccc2c1)C(C)C ZINC001253584171 806264747 /nfs/dbraw/zinc/26/47/47/806264747.db2.gz DWMFVEMNPJYWLI-OALUTQOASA-N 1 1 299.414 3.131 20 30 CGEDMO C=C[C@H](O)C[N@@H+](C[C@@H](O)c1ccc2ccccc2c1)C(C)C ZINC001253584173 806265882 /nfs/dbraw/zinc/26/58/82/806265882.db2.gz DWMFVEMNPJYWLI-RBUKOAKNSA-N 1 1 299.414 3.131 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCCC1=CC[N@@H+](CCCF)CC1 ZINC001160856724 806310909 /nfs/dbraw/zinc/31/09/09/806310909.db2.gz NSISCZSNEKWDPW-UHFFFAOYSA-N 1 1 296.430 3.087 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)[C@H](F)CC)CC1 ZINC001160903620 806316566 /nfs/dbraw/zinc/31/65/66/806316566.db2.gz KEUJPQVEIXPTPY-GDBMZVCRSA-N 1 1 296.430 3.228 20 30 CGEDMO C=C[C@H](CC)CC(=O)NCCC1=CC[N@@H+](CC(=C)C)CC1 ZINC001160967429 806330715 /nfs/dbraw/zinc/33/07/15/806330715.db2.gz ISMXKWQBVHKUKD-MRXNPFEDSA-N 1 1 290.451 3.303 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NCCC1=CC[N@@H+](CC2CC2)CC1 ZINC001160967486 806331204 /nfs/dbraw/zinc/33/12/04/806331204.db2.gz JDAZDHRKSFNRSU-OAHLLOKOSA-N 1 1 290.451 3.137 20 30 CGEDMO COc1ccc2cc[nH+]c(NCc3cncc(C#N)c3)c2c1 ZINC001160994906 806334684 /nfs/dbraw/zinc/33/46/84/806334684.db2.gz BDTZDOBCXHLKND-UHFFFAOYSA-N 1 1 290.326 3.122 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NCCC1=CC[N@@H+](CC2CC2)CC1 ZINC001160992416 806335110 /nfs/dbraw/zinc/33/51/10/806335110.db2.gz XQQHIXCLPHGNFE-HNNXBMFYSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCCC1=CC[N@@H+](CC2CC2)CC1 ZINC001161117069 806351432 /nfs/dbraw/zinc/35/14/32/806351432.db2.gz ZJBPRTLAFNUPGQ-GOSISDBHSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)C2(C(C)C)CC2)CC1 ZINC001161167049 806355024 /nfs/dbraw/zinc/35/50/24/806355024.db2.gz MYUXMNFCBXOERG-UHFFFAOYSA-N 1 1 290.451 3.137 20 30 CGEDMO Cc1ccc(CC#N)c(NCc2cncn2CC2CCC2)[nH+]1 ZINC001161535638 806388794 /nfs/dbraw/zinc/38/87/94/806388794.db2.gz HFSHUYGBOXYTCD-UHFFFAOYSA-N 1 1 295.390 3.065 20 30 CGEDMO N#Cc1ccc2ccnc(NCc3[nH+]cn4ccccc34)c2c1 ZINC001161684556 806418585 /nfs/dbraw/zinc/41/85/85/806418585.db2.gz VTJPGMKDOAUFBD-UHFFFAOYSA-N 1 1 299.337 3.366 20 30 CGEDMO N#C[C@H](Nc1cc2[nH+]c[nH]c2cc1F)c1ccccc1 ZINC001161725632 806437271 /nfs/dbraw/zinc/43/72/71/806437271.db2.gz PIIFNPWDYCMQNQ-HNNXBMFYSA-N 1 1 266.279 3.379 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](CCCOc2ccc(C)c(C)c2)C1 ZINC001254559171 806449097 /nfs/dbraw/zinc/44/90/97/806449097.db2.gz YZCCYGAOMZZTSG-SFHVURJKSA-N 1 1 289.419 3.349 20 30 CGEDMO N#C[C@H]1CC[C@@H]([N@H+](Cc2cccnc2)Cc2ccccn2)C1 ZINC001254663427 806478593 /nfs/dbraw/zinc/47/85/93/806478593.db2.gz BOEVCHAFXJZPAK-MAUKXSAKSA-N 1 1 292.386 3.171 20 30 CGEDMO N#C[C@H]1CC[C@@H]([N@@H+](Cc2cccnc2)Cc2ccccn2)C1 ZINC001254663427 806478598 /nfs/dbraw/zinc/47/85/98/806478598.db2.gz BOEVCHAFXJZPAK-MAUKXSAKSA-N 1 1 292.386 3.171 20 30 CGEDMO C[N@@H+](Cc1cccc2cccnc21)[C@H]1CC[C@@H](C#N)C1 ZINC001254668810 806479596 /nfs/dbraw/zinc/47/95/96/806479596.db2.gz LPALBJZDPMAHIF-CJNGLKHVSA-N 1 1 265.360 3.359 20 30 CGEDMO C[N@@H+]([C@@H]1CC[C@H](C#N)C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001254674602 806483191 /nfs/dbraw/zinc/48/31/91/806483191.db2.gz AMRCQDMTVAXAHM-IPMKNSEASA-N 1 1 297.446 3.275 20 30 CGEDMO CN([C@@H]1CC[C@H](C#N)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001254674602 806483194 /nfs/dbraw/zinc/48/31/94/806483194.db2.gz AMRCQDMTVAXAHM-IPMKNSEASA-N 1 1 297.446 3.275 20 30 CGEDMO CN([C@@H]1CC[C@H](C#N)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001254674602 806483196 /nfs/dbraw/zinc/48/31/96/806483196.db2.gz AMRCQDMTVAXAHM-IPMKNSEASA-N 1 1 297.446 3.275 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)C[C@@H](C)C2CC2)CC1 ZINC001161959314 806491195 /nfs/dbraw/zinc/49/11/95/806491195.db2.gz OQACSMHEUAOKCR-OAHLLOKOSA-N 1 1 290.451 3.137 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(NC2(C#N)CCC2)nc1 ZINC001162310760 806552662 /nfs/dbraw/zinc/55/26/62/806552662.db2.gz QXZGOSQWCANGJR-CQSZACIVSA-N 1 1 284.407 3.314 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(-c2ncco2)cc1 ZINC001255165538 806562716 /nfs/dbraw/zinc/56/27/16/806562716.db2.gz YOPAPFIEJPGYDL-CQSZACIVSA-N 1 1 255.321 3.123 20 30 CGEDMO C=CCOCc1nn(C)c2c1C[N@@H+]([C@H](C)CCCC)CC2 ZINC001255326583 806613238 /nfs/dbraw/zinc/61/32/38/806613238.db2.gz RRZHORBOKPCLJT-CQSZACIVSA-N 1 1 291.439 3.060 20 30 CGEDMO C=CCOCc1ncn2c1C[N@@H+]([C@@H](C)CCCC)CCC2 ZINC001255326375 806613459 /nfs/dbraw/zinc/61/34/59/806613459.db2.gz QIEHPCDAEMMBNH-HNNXBMFYSA-N 1 1 291.439 3.370 20 30 CGEDMO N#C[C@@H]1CCCN([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255404033 806635786 /nfs/dbraw/zinc/63/57/86/806635786.db2.gz IKWQJMXJRXVZNZ-RBUKOAKNSA-N 1 1 297.446 3.277 20 30 CGEDMO N#Cc1ccccc1OCC[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000036809932 798851682 /nfs/dbraw/zinc/85/16/82/798851682.db2.gz MXRIOYFESWPIKX-DOTOQJQBSA-N 1 1 284.403 3.449 20 30 CGEDMO C=C(Br)C[NH2+]Cc1ccccc1Cl ZINC000037680971 798872670 /nfs/dbraw/zinc/87/26/70/798872670.db2.gz IQCDCXKJAUWDHI-UHFFFAOYSA-N 1 1 260.562 3.338 20 30 CGEDMO Cc1nc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)c(C)s1 ZINC000135132263 799036385 /nfs/dbraw/zinc/03/63/85/799036385.db2.gz UORLFSIOMOZFMT-JTQLQIEISA-N 1 1 271.389 3.482 20 30 CGEDMO Cc1ccc(CC#N)c(N[C@H]2CCCc3ccncc32)[nH+]1 ZINC001163171470 806711969 /nfs/dbraw/zinc/71/19/69/806711969.db2.gz HGRNUSUMEJLRNB-INIZCTEOSA-N 1 1 278.359 3.341 20 30 CGEDMO C=C(Cl)CNC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000379670019 799352931 /nfs/dbraw/zinc/35/29/31/799352931.db2.gz HVEDHABKHRNTHU-UHFFFAOYSA-N 1 1 266.816 3.239 20 30 CGEDMO C=C(Cl)C[NH2+]C(C)(C)CN(C)Cc1ccccc1 ZINC000379670019 799352939 /nfs/dbraw/zinc/35/29/39/799352939.db2.gz HVEDHABKHRNTHU-UHFFFAOYSA-N 1 1 266.816 3.239 20 30 CGEDMO C[C@H](C1CC1)[N@@H+](CCO[C@@H](C)C#N)Cc1ccccc1 ZINC000385768567 799429045 /nfs/dbraw/zinc/42/90/45/799429045.db2.gz BISSFFYJDBJHNK-LSDHHAIUSA-N 1 1 272.392 3.216 20 30 CGEDMO N#CCC[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000425972150 799603592 /nfs/dbraw/zinc/60/35/92/799603592.db2.gz WGRZXBCNTOTLQX-UHFFFAOYSA-N 1 1 294.280 3.099 20 30 CGEDMO CCC(C)(C)CC[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000686221980 799733844 /nfs/dbraw/zinc/73/38/44/799733844.db2.gz VGDJTSOGSRJAHF-INIZCTEOSA-N 1 1 274.408 3.350 20 30 CGEDMO N#Cc1ccc(OCCCn2cc[nH+]c2C2CC2)cc1 ZINC000704269481 799936365 /nfs/dbraw/zinc/93/63/65/799936365.db2.gz AKEAVVQRKBZKMY-UHFFFAOYSA-N 1 1 267.332 3.101 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CC[C@H](c2nccs2)C1 ZINC000710357815 800033795 /nfs/dbraw/zinc/03/37/95/800033795.db2.gz BWIGBGAMRGLQKB-LBPRGKRZSA-N 1 1 263.410 3.262 20 30 CGEDMO CC[C@@H](CC#N)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716624560 800177321 /nfs/dbraw/zinc/17/73/21/800177321.db2.gz IHLVLWWNHDNZAM-VJANTYMQSA-N 1 1 297.446 3.321 20 30 CGEDMO C#C[C@@H](CC)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716721314 800178426 /nfs/dbraw/zinc/17/84/26/800178426.db2.gz ZXZINZVTJHSOKR-VJANTYMQSA-N 1 1 282.431 3.041 20 30 CGEDMO C#C[C@@H](CC)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716721314 800178430 /nfs/dbraw/zinc/17/84/30/800178430.db2.gz ZXZINZVTJHSOKR-VJANTYMQSA-N 1 1 282.431 3.041 20 30 CGEDMO C=CCC1(O)CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000717452582 800202715 /nfs/dbraw/zinc/20/27/15/800202715.db2.gz XEVJWFRNSGKAIN-UHFFFAOYSA-N 1 1 283.774 3.382 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2nc3c(s2)CCCC3)cc1 ZINC000719528451 800240589 /nfs/dbraw/zinc/24/05/89/800240589.db2.gz TUAYDKCHKHPWMP-UHFFFAOYSA-N 1 1 283.400 3.183 20 30 CGEDMO CCCC[N@@H+](C)C[C@H](C)/N=C/c1ccc(OCC)cc1O ZINC000809144118 800412886 /nfs/dbraw/zinc/41/28/86/800412886.db2.gz DIUOHAZYOMKARR-QCUKBLKESA-N 1 1 292.423 3.330 20 30 CGEDMO Cc1ccncc1CCC[N@@H+](CCC#N)CC(C)C ZINC000809538920 800443713 /nfs/dbraw/zinc/44/37/13/800443713.db2.gz WFEUOHDJWLFYTM-UHFFFAOYSA-N 1 1 259.397 3.194 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H]2CN2CCCCC2)cc1 ZINC000809551338 800445071 /nfs/dbraw/zinc/44/50/71/800445071.db2.gz VEKOVBZGEWACPC-LJQANCHMSA-N 1 1 282.431 3.118 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC[C@@H]2CN2CCCCC2)cc1 ZINC000809551338 800445075 /nfs/dbraw/zinc/44/50/75/800445075.db2.gz VEKOVBZGEWACPC-LJQANCHMSA-N 1 1 282.431 3.118 20 30 CGEDMO COc1c(C)c[nH+]c(CN(CC#N)Cc2ccccc2)c1C ZINC000826715912 800477105 /nfs/dbraw/zinc/47/71/05/800477105.db2.gz SECBVYTUFAEGCK-UHFFFAOYSA-N 1 1 295.386 3.233 20 30 CGEDMO COc1cccc(C[C@@H](C)[N@H+]2CCC[C@H](C#N)CC2)c1 ZINC001256167036 806841963 /nfs/dbraw/zinc/84/19/63/806841963.db2.gz GYVNWAVNLRUDHS-CABCVRRESA-N 1 1 272.392 3.252 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910781938 800608028 /nfs/dbraw/zinc/60/80/28/800608028.db2.gz WZCMQGPNLNVXHL-SFHVURJKSA-N 1 1 298.430 3.076 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910781938 800608032 /nfs/dbraw/zinc/60/80/32/800608032.db2.gz WZCMQGPNLNVXHL-SFHVURJKSA-N 1 1 298.430 3.076 20 30 CGEDMO C#CC[N@@H+](C[C@H](O)c1ccc(C(F)(F)F)cc1)C(C)C ZINC000932387678 800664223 /nfs/dbraw/zinc/66/42/23/800664223.db2.gz IGCFJKLGYBHJAI-AWEZNQCLSA-N 1 1 285.309 3.082 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)C2C(C)(C)C2(C)C)C1 ZINC001023292488 800707917 /nfs/dbraw/zinc/70/79/17/800707917.db2.gz VMXPWKSENDVFTE-CQSZACIVSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC2(C)C)C1 ZINC001023544186 800712049 /nfs/dbraw/zinc/71/20/49/800712049.db2.gz BOKMNSIRYNVNAQ-JKSUJKDBSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1C ZINC001024306977 800723039 /nfs/dbraw/zinc/72/30/39/800723039.db2.gz JQFBMIWEKRUBKQ-INIZCTEOSA-N 1 1 286.419 3.155 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C)s1 ZINC001024294355 800723108 /nfs/dbraw/zinc/72/31/08/800723108.db2.gz RBUSISREMMLKNB-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccsc1 ZINC001024318614 800725036 /nfs/dbraw/zinc/72/50/36/800725036.db2.gz BWNFXQBTFUJJFK-HNNXBMFYSA-N 1 1 292.448 3.299 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001024548613 800730062 /nfs/dbraw/zinc/73/00/62/800730062.db2.gz BEVIMMBVKNGQEI-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)C12CCC(CC1)C2 ZINC001024514144 800730120 /nfs/dbraw/zinc/73/01/20/800730120.db2.gz WCXIEJXZAIVNJC-PQUAAJSLSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1occc1CC ZINC001024630975 800732415 /nfs/dbraw/zinc/73/24/15/800732415.db2.gz AETVFNDBLMQQME-OAHLLOKOSA-N 1 1 290.407 3.002 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC(C)(C)C ZINC001025201225 800748386 /nfs/dbraw/zinc/74/83/86/800748386.db2.gz JYMUJIDFVAJYDK-JKSUJKDBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)/C(C)=C/C ZINC001025219792 800750730 /nfs/dbraw/zinc/75/07/30/800750730.db2.gz ZZTCALUUMKHPCF-LKNSVJLYSA-N 1 1 290.451 3.374 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccccc2)C1 ZINC001025313490 800755138 /nfs/dbraw/zinc/75/51/38/800755138.db2.gz SIDDKUMSYKCROI-RDJZCZTQSA-N 1 1 286.419 3.093 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2=CCCCCC2)C1 ZINC001025388521 800761227 /nfs/dbraw/zinc/76/12/27/800761227.db2.gz ICQNJHGHJWUPGA-WBVHZDCISA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2CCC(=C)CC2)C1 ZINC001025525115 800762317 /nfs/dbraw/zinc/76/23/17/800762317.db2.gz YBVLKODSLZJFIT-RDJZCZTQSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)CCC2CCCC2)C1 ZINC001027278843 800788033 /nfs/dbraw/zinc/78/80/33/800788033.db2.gz JVOHSXZQQNHJQP-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)CCC2CCCC2)C1 ZINC001027278510 800788098 /nfs/dbraw/zinc/78/80/98/800788098.db2.gz CMAIRLKPHICQEK-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)/C=C(\C)C2CC2)C1 ZINC001027311954 800792141 /nfs/dbraw/zinc/79/21/41/800792141.db2.gz APVJISSQAWEEOL-RZXPCSSPSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)/C=C(\C)C2CC2)C1 ZINC001027311954 800792143 /nfs/dbraw/zinc/79/21/43/800792143.db2.gz APVJISSQAWEEOL-RZXPCSSPSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2cc(C)cs2)C1 ZINC001027400238 800795107 /nfs/dbraw/zinc/79/51/07/800795107.db2.gz OFDJNWCRMASFLN-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCC2)C1 ZINC001027518781 800799134 /nfs/dbraw/zinc/79/91/34/800799134.db2.gz BFVCSCVREUBBIN-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001027532598 800801234 /nfs/dbraw/zinc/80/12/34/800801234.db2.gz CSTWDXRRYLFOQB-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC2(C)C)C1 ZINC001027536414 800802229 /nfs/dbraw/zinc/80/22/29/800802229.db2.gz QRLUDBIANOSGNQ-KGLIPLIRSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC2(C)C)C1 ZINC001027536414 800802234 /nfs/dbraw/zinc/80/22/34/800802234.db2.gz QRLUDBIANOSGNQ-KGLIPLIRSA-N 1 1 298.858 3.098 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)C(CC)(CC)CC)C1 ZINC001027629475 800807355 /nfs/dbraw/zinc/80/73/55/800807355.db2.gz GCQXHYOXNSUXHM-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC23CCCC3)C1 ZINC001027639362 800807370 /nfs/dbraw/zinc/80/73/70/800807370.db2.gz VFDZVBKGJVEFCQ-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(C3CC3)cc2)C1 ZINC001027690415 800811886 /nfs/dbraw/zinc/81/18/86/800811886.db2.gz GAWVJLCHEBQDLU-GOSISDBHSA-N 1 1 298.430 3.286 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCCC2(C)C)C1 ZINC001027698271 800813224 /nfs/dbraw/zinc/81/32/24/800813224.db2.gz HBABHLXJRWRXTA-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(CC)s1 ZINC001028010159 800829033 /nfs/dbraw/zinc/82/90/33/800829033.db2.gz VIDMEYWXKIXIKG-CYBMUJFWSA-N 1 1 292.448 3.081 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Cl)cc1C ZINC001028115124 800831991 /nfs/dbraw/zinc/83/19/91/800831991.db2.gz XMRBMTJYBSSVSU-AWEZNQCLSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)cccc1C ZINC001028157807 800834052 /nfs/dbraw/zinc/83/40/52/800834052.db2.gz QZNMUOKDOGDOLA-INIZCTEOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)ccc1C ZINC001028210896 800835047 /nfs/dbraw/zinc/83/50/47/800835047.db2.gz WHQGRKMVHVFUFR-AWEZNQCLSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C)c(C)s1 ZINC001028307344 800839620 /nfs/dbraw/zinc/83/96/20/800839620.db2.gz GWKHLZSUYQEQTI-CQSZACIVSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC(C)(C)C1 ZINC001028340199 800841707 /nfs/dbraw/zinc/84/17/07/800841707.db2.gz LIKGXMDOVOLFFF-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)c2cccc(C)c2)C1 ZINC001028387082 800846631 /nfs/dbraw/zinc/84/66/31/800846631.db2.gz SXVILJIPNYJRLW-MRXNPFEDSA-N 1 1 286.419 3.013 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001028546882 800850705 /nfs/dbraw/zinc/85/07/05/800850705.db2.gz HYBYOSOCNUZUSJ-OWCLPIDISA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001028813161 800855054 /nfs/dbraw/zinc/85/50/54/800855054.db2.gz WSMBGLKFJURLKN-GVDBMIGSSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](CNC(=O)c2cc3ccccc3o2)C1 ZINC001028972195 800855795 /nfs/dbraw/zinc/85/57/95/800855795.db2.gz DWMYZXXQGPVFRP-AWEZNQCLSA-N 1 1 298.386 3.061 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccoc2C(C)C)C1 ZINC001029013108 800857475 /nfs/dbraw/zinc/85/74/75/800857475.db2.gz SYKAIVLNVBPRFS-CQSZACIVSA-N 1 1 290.407 3.031 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001029013118 800858192 /nfs/dbraw/zinc/85/81/92/800858192.db2.gz XPKKLPCHBLEIAK-HOTGVXAUSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)c1ccccc1 ZINC001032766721 800936816 /nfs/dbraw/zinc/93/68/16/800936816.db2.gz NQOYNPFBVFOTME-NJAFHUGGSA-N 1 1 298.430 3.041 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001033101594 800952732 /nfs/dbraw/zinc/95/27/32/800952732.db2.gz HHIAXVPCYSJBQC-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(CCC)s2)C1 ZINC001033117548 800954861 /nfs/dbraw/zinc/95/48/61/800954861.db2.gz RLAYSIAVYGELOF-CYBMUJFWSA-N 1 1 292.448 3.033 20 30 CGEDMO C=Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](CC(=C)C)C2)cc1 ZINC001033443571 800964356 /nfs/dbraw/zinc/96/43/56/800964356.db2.gz PXTZVTDLBMTRJE-QGZVFWFLSA-N 1 1 284.403 3.052 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)C2CCCCC2)C1 ZINC001033485748 800965760 /nfs/dbraw/zinc/96/57/60/800965760.db2.gz DWSNGNFUEWNYAY-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001033598650 800969880 /nfs/dbraw/zinc/96/98/80/800969880.db2.gz BGSRABRCFLCROR-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C3CC3)cc2)C1 ZINC001033678981 800973878 /nfs/dbraw/zinc/97/38/78/800973878.db2.gz RJZLMGKCLQOGDO-SFHVURJKSA-N 1 1 298.430 3.286 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(C3CC3)c2)C1 ZINC001033693786 800975389 /nfs/dbraw/zinc/97/53/89/800975389.db2.gz ZBPOGCUPVNYUAT-GOSISDBHSA-N 1 1 298.430 3.286 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)C2CCCCC2)C1 ZINC001033736174 800980359 /nfs/dbraw/zinc/98/03/59/800980359.db2.gz IQCFYMQTAOPFAT-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)C2CC3(CC3)C2)C1 ZINC001033957213 800991164 /nfs/dbraw/zinc/99/11/64/800991164.db2.gz ZOFNYKLLOGCDCI-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2cccc(C)c2)C1 ZINC001034082179 801003315 /nfs/dbraw/zinc/00/33/15/801003315.db2.gz DDWAKXDVZFJKMS-QGZVFWFLSA-N 1 1 286.419 3.155 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)CC2=CCCCC2)C1 ZINC001034133462 801007971 /nfs/dbraw/zinc/00/79/71/801007971.db2.gz PRBJPZAZUUITBV-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001034163155 801008660 /nfs/dbraw/zinc/00/86/60/801008660.db2.gz ZONFBTNDFXSTNB-OAHLLOKOSA-N 1 1 294.414 3.331 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)C(C)=C2CCC2)C1 ZINC001034203239 801010680 /nfs/dbraw/zinc/01/06/80/801010680.db2.gz FGCORRVYJWYLAJ-OAHLLOKOSA-N 1 1 296.842 3.210 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)C(C)=C2CCC2)C1 ZINC001034203239 801010688 /nfs/dbraw/zinc/01/06/88/801010688.db2.gz FGCORRVYJWYLAJ-OAHLLOKOSA-N 1 1 296.842 3.210 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccsc2C)C1 ZINC001034207149 801010858 /nfs/dbraw/zinc/01/08/58/801010858.db2.gz KPPVRTPKSXIDSO-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001034205298 801011880 /nfs/dbraw/zinc/01/18/80/801011880.db2.gz VGHYPGOJDGHCCA-CVEARBPZSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@@]2(C)C=CCC2)C1 ZINC001034349747 801018966 /nfs/dbraw/zinc/01/89/66/801018966.db2.gz LJFFOQXNIGAMTK-ZBFHGGJFSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@]2(C)C=CCC2)C1 ZINC001034349747 801018968 /nfs/dbraw/zinc/01/89/68/801018968.db2.gz LJFFOQXNIGAMTK-ZBFHGGJFSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@@H](NC(=O)C[C@H]2CC=CCC2)C1 ZINC001034353286 801019608 /nfs/dbraw/zinc/01/96/08/801019608.db2.gz WGNDIULLTRKOLV-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001034388845 801023165 /nfs/dbraw/zinc/02/31/65/801023165.db2.gz ITEUBCBYPNPYTG-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2c(C)cccc2C)C1 ZINC001034421333 801027205 /nfs/dbraw/zinc/02/72/05/801027205.db2.gz XZBAMXPLWRGFGL-INIZCTEOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(Cl)s2)C1 ZINC001034511737 801030244 /nfs/dbraw/zinc/03/02/44/801030244.db2.gz CKKSTOUBQLRZDR-LLVKDONJSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001034547413 801033648 /nfs/dbraw/zinc/03/36/48/801033648.db2.gz QKCRJNZWAGCLSL-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)CCC)CC2 ZINC001035149066 801051973 /nfs/dbraw/zinc/05/19/73/801051973.db2.gz XQZPHIMZABJBSZ-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CC[N@@H+]1CCC2(C1)CCN(C(=O)C(C)(C)C(=C)C)CC2 ZINC001035213741 801054940 /nfs/dbraw/zinc/05/49/40/801054940.db2.gz NTKCVQPRHCTZRS-UHFFFAOYSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(C)c3)CC[C@H]21 ZINC001036631080 801084503 /nfs/dbraw/zinc/08/45/03/801084503.db2.gz QFEZGPPORCMMAD-QZTJIDSGSA-N 1 1 298.430 3.108 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)CC3CCCC3)CC[C@@H]21 ZINC001036633205 801085203 /nfs/dbraw/zinc/08/52/03/801085203.db2.gz YPFLUSGVBQGFRO-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CN(C(=O)CCC3CCC3)CC[C@H]21 ZINC001036681315 801088428 /nfs/dbraw/zinc/08/84/28/801088428.db2.gz KQFNQQKIPPDHAC-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)CC)CC[C@@H]21 ZINC001036804416 801090992 /nfs/dbraw/zinc/09/09/92/801090992.db2.gz JEFCZACTOXJWOU-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(CC)CC3)CC[C@H]21 ZINC001036814933 801091390 /nfs/dbraw/zinc/09/13/90/801091390.db2.gz WNYPYCLBXYDTNA-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C(=C)C)CC[C@@H]21 ZINC001036792355 801091593 /nfs/dbraw/zinc/09/15/93/801091593.db2.gz ODCZJNULRAHRMQ-CVEARBPZSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(C)CCCCC3)CC[C@H]21 ZINC001036811253 801092058 /nfs/dbraw/zinc/09/20/58/801092058.db2.gz NSCYLKHFNZJWRP-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2CN(C(=O)C3(CC)CCCC3)CC[C@H]21 ZINC001036858122 801093450 /nfs/dbraw/zinc/09/34/50/801093450.db2.gz UOPSYZPULOHNEO-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(CC)CC)CC[C@@H]21 ZINC001036900131 801094445 /nfs/dbraw/zinc/09/44/45/801094445.db2.gz YIYPWHJNKFAENX-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C)c2ccccc12 ZINC001038751946 801132927 /nfs/dbraw/zinc/13/29/27/801132927.db2.gz JWCKDUJSKMUKOK-HNNXBMFYSA-N 1 1 294.398 3.138 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C)c2ccccc12 ZINC001038751946 801132932 /nfs/dbraw/zinc/13/29/32/801132932.db2.gz JWCKDUJSKMUKOK-HNNXBMFYSA-N 1 1 294.398 3.138 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)C1CC(C(C)(C)C)C1 ZINC001039076553 801146361 /nfs/dbraw/zinc/14/63/61/801146361.db2.gz CGNHMUQQWLGLKH-GPANFISMSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccsc1 ZINC001039329891 801158309 /nfs/dbraw/zinc/15/83/09/801158309.db2.gz NIZFJALCWAKUPZ-CABCVRRESA-N 1 1 290.432 3.003 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@]2(CCN(C(=O)C=C(C)C)C2)C1 ZINC001040051602 801171450 /nfs/dbraw/zinc/17/14/50/801171450.db2.gz WDFOSXVVHUIMMI-MRXNPFEDSA-N 1 1 296.842 3.020 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C=C(C)C)C2)C1 ZINC001040051602 801171456 /nfs/dbraw/zinc/17/14/56/801171456.db2.gz WDFOSXVVHUIMMI-MRXNPFEDSA-N 1 1 296.842 3.020 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC3(C)CC3)C2)C1 ZINC001040298562 801175013 /nfs/dbraw/zinc/17/50/13/801175013.db2.gz XVYFYYHKSXHPEN-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(CC)CC)C2)C1 ZINC001040540637 801178246 /nfs/dbraw/zinc/17/82/46/801178246.db2.gz VRCCTIWSHCQHDX-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)CC3CCCC3)C2)C1 ZINC001041038144 801184237 /nfs/dbraw/zinc/18/42/37/801184237.db2.gz SBDVJKNQRSPZFK-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)CCC3CCCC3)C2)C1 ZINC001041036687 801184642 /nfs/dbraw/zinc/18/46/42/801184642.db2.gz KWBHDIFCUSHUDJ-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)C(C)C)C2)C1 ZINC001041322345 801188356 /nfs/dbraw/zinc/18/83/56/801188356.db2.gz OVJZKGAGPLAMCR-SFHVURJKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@]2(CC[N@H+](CCC(=C)C)C2)C1 ZINC001041545892 801191800 /nfs/dbraw/zinc/19/18/00/801191800.db2.gz ZLUUKZXDHIEMID-SFHVURJKSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccccc3)C[C@H]21 ZINC001041907356 801195589 /nfs/dbraw/zinc/19/55/89/801195589.db2.gz UMIMAKHXMJILLR-FUHWJXTLSA-N 1 1 298.430 3.189 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3(CC)CC3)C[C@H]21 ZINC001042223812 801203837 /nfs/dbraw/zinc/20/38/37/801203837.db2.gz GYLCQESASJKBRM-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(C)c3C)C[C@@H]21 ZINC001042339473 801204594 /nfs/dbraw/zinc/20/45/94/801204594.db2.gz XCZSNYPOBDIIBC-AEFFLSMTSA-N 1 1 298.430 3.026 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C)c(C)c3)C[C@@H]21 ZINC001042339993 801205009 /nfs/dbraw/zinc/20/50/09/801205009.db2.gz DADUWXQEXLYVPS-AEFFLSMTSA-N 1 1 298.430 3.026 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3(CC)CCCC3)C[C@H]21 ZINC001042292796 801205290 /nfs/dbraw/zinc/20/52/90/801205290.db2.gz XLMSIHFUCQZOPG-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(C)cc3C)C[C@H]21 ZINC001042344134 801205355 /nfs/dbraw/zinc/20/53/55/801205355.db2.gz SYSIINDOCUIGNI-FUHWJXTLSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC ZINC001045825489 801287624 /nfs/dbraw/zinc/28/76/24/801287624.db2.gz DPHYNSZKOSGTHL-CABCVRRESA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C1(C)CC1)C2 ZINC001045939253 801295542 /nfs/dbraw/zinc/29/55/42/801295542.db2.gz ACSODJWVZRMKIR-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)C2=CCCCCC2)C1 ZINC001046264511 801304737 /nfs/dbraw/zinc/30/47/37/801304737.db2.gz KSPHXWLXPXNEDD-SFHVURJKSA-N 1 1 290.451 3.424 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)C2=CCCCCC2)C1 ZINC001046265298 801305781 /nfs/dbraw/zinc/30/57/81/801305781.db2.gz VCCVVAKBZSTJPG-MRXNPFEDSA-N 1 1 296.842 3.210 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)C2=CCCCCC2)C1 ZINC001046265298 801305788 /nfs/dbraw/zinc/30/57/88/801305788.db2.gz VCCVVAKBZSTJPG-MRXNPFEDSA-N 1 1 296.842 3.210 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)c2ccsc2C)C1 ZINC001046309923 801306703 /nfs/dbraw/zinc/30/67/03/801306703.db2.gz WZGGDKFHWQAMFK-INIZCTEOSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(C3CCC3)cc2)C1 ZINC001046362385 801309195 /nfs/dbraw/zinc/30/91/95/801309195.db2.gz QLLSGICZZIETHQ-LJQANCHMSA-N 1 1 298.430 3.334 20 30 CGEDMO CCOC1CCC([N@@H+](CCC#N)C2CCCC2)CC1 ZINC001256443082 806900869 /nfs/dbraw/zinc/90/08/69/806900869.db2.gz WZQDFHBYCHLWTQ-UHFFFAOYSA-N 1 1 264.413 3.492 20 30 CGEDMO C=Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+](CCC(=C)C)C2)cc1 ZINC001046644539 801318851 /nfs/dbraw/zinc/31/88/51/801318851.db2.gz MQUUYELFJBTTDQ-IBGZPJMESA-N 1 1 298.430 3.490 20 30 CGEDMO CC[N@@H+](CCC#N)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001256482155 806905535 /nfs/dbraw/zinc/90/55/35/806905535.db2.gz YLVSNIYVSXKXLU-UONOGXRCSA-N 1 1 295.427 3.010 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC(C)(C)C1 ZINC001049454567 801373188 /nfs/dbraw/zinc/37/31/88/801373188.db2.gz QENFLVWSMYWGHH-HOTGVXAUSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)C(=C)C ZINC001049641057 801379460 /nfs/dbraw/zinc/37/94/60/801379460.db2.gz ZUCFHXYETSPHCG-HZPDHXFCSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@H](C)CC ZINC001049643775 801380888 /nfs/dbraw/zinc/38/08/88/801380888.db2.gz FUZJZGJPAJVMFH-OAGGEKHMSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC1(C)C ZINC001049660925 801382102 /nfs/dbraw/zinc/38/21/02/801382102.db2.gz AVUOTJXMYSEKHA-OWCLPIDISA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)C ZINC001049858715 801391269 /nfs/dbraw/zinc/39/12/69/801391269.db2.gz POHJXOPIVGCFBY-GJZGRUSLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(C)c(C)c1 ZINC001049872307 801392013 /nfs/dbraw/zinc/39/20/13/801392013.db2.gz RCXCWULJMSJACY-QZTJIDSGSA-N 1 1 298.430 3.168 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)CC3CCC3)[C@@H]2C1 ZINC001050008232 801396800 /nfs/dbraw/zinc/39/68/00/801396800.db2.gz HIEYWDPSXDLKFR-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C[C@@H]1C[C@@H](NC2(C#N)CCC2)CC[N@H+]1Cc1ccccc1 ZINC001256521087 806909406 /nfs/dbraw/zinc/90/94/06/806909406.db2.gz ZHAQHLDKRWLVAZ-WBVHZDCISA-N 1 1 283.419 3.075 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)C[C@H]2CC=CCC2)CC1 ZINC001052624657 801440844 /nfs/dbraw/zinc/44/08/44/801440844.db2.gz MXVIQCPWHWYOTA-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC001052686337 801446419 /nfs/dbraw/zinc/44/64/19/801446419.db2.gz JARKNPIYABLIGD-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C)C2CCCC2)CC1 ZINC001052856782 801454168 /nfs/dbraw/zinc/45/41/68/801454168.db2.gz FQJBNYJWBPOBFU-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2Cl)CC1 ZINC001052887381 801454719 /nfs/dbraw/zinc/45/47/19/801454719.db2.gz YWQGCUVQDOINCF-CYBMUJFWSA-N 1 1 292.810 3.110 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)ccc2C)CC1 ZINC001052892350 801456301 /nfs/dbraw/zinc/45/63/01/801456301.db2.gz BWOPHZPBTFEBED-MRXNPFEDSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC)C1 ZINC001053056119 801463572 /nfs/dbraw/zinc/46/35/72/801463572.db2.gz BHNDPVOVILZZHM-HOTGVXAUSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]([C@@H]2CCCCN2C(C)=O)C1 ZINC001053054120 801464127 /nfs/dbraw/zinc/46/41/27/801464127.db2.gz IELNIVZSKMGLSK-SJORKVTESA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCC)C1 ZINC001053060532 801466292 /nfs/dbraw/zinc/46/62/92/801466292.db2.gz ARMZVZDTEHVFRS-DLBZAZTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(CC)CC)C2 ZINC001054086105 801471527 /nfs/dbraw/zinc/47/15/27/801471527.db2.gz HMDZWCUVNOWGCR-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)C(C)(C)C)C2 ZINC001054152690 801475844 /nfs/dbraw/zinc/47/58/44/801475844.db2.gz FYDRACZZYGDNSD-MAUKXSAKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)C=C)C2 ZINC001054175773 801477389 /nfs/dbraw/zinc/47/73/89/801477389.db2.gz VDZTVBADNPSBRO-SFHVURJKSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@@H+]1Cc2ccc(CNC(=O)C3CC(C)C3)cc2C1 ZINC001054261136 801481858 /nfs/dbraw/zinc/48/18/58/801481858.db2.gz RMHFKMOROJKEAL-UHFFFAOYSA-N 1 1 298.430 3.241 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)CC2CCCC2)CC[C@H]1C ZINC001071315459 801526979 /nfs/dbraw/zinc/52/69/79/801526979.db2.gz XWQHGPLTDKFAKM-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C=C2CCCCC2)CC[C@H]1C ZINC001071373620 801531624 /nfs/dbraw/zinc/53/16/24/801531624.db2.gz MBKPRGBQPNUZDV-WBVHZDCISA-N 1 1 290.451 3.422 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C(C)=C2CCCC2)CC[C@@H]1C ZINC001071420979 801535671 /nfs/dbraw/zinc/53/56/71/801535671.db2.gz WIDHWXVEUUMBCH-BBRMVZONSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C(C)=C2CCCC2)CC[C@H]1C ZINC001071427863 801536208 /nfs/dbraw/zinc/53/62/08/801536208.db2.gz RJBDKLOMVFLHRM-PBHICJAKSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2c(C)coc2C)CC[C@@H]1C ZINC001071475971 801537991 /nfs/dbraw/zinc/53/79/91/801537991.db2.gz CKNOAPBFICHMJS-DZGCQCFKSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2sc(C)cc2C)CC[C@H]1C ZINC001071536665 801543273 /nfs/dbraw/zinc/54/32/73/801543273.db2.gz LSSBGVWIBJLJRQ-OCCSQVGLSA-N 1 1 292.448 3.134 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C2CCC(=C)CC2)CC[C@H]1C ZINC001071794802 801551599 /nfs/dbraw/zinc/55/15/99/801551599.db2.gz FQUAPNDKZLFPOC-WBVHZDCISA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2ccc(C)cc2)CC[C@H]1C ZINC001072011736 801558726 /nfs/dbraw/zinc/55/87/26/801558726.db2.gz BVNUTCFOELYXNF-NVXWUHKLSA-N 1 1 286.419 3.154 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)cc(C)c2)CC[C@H]1C ZINC001072027070 801561154 /nfs/dbraw/zinc/56/11/54/801561154.db2.gz SVIWOCFNQIJISU-WBVHZDCISA-N 1 1 286.419 3.072 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)c2sccc2CC)CC[C@@H]1C ZINC001072098871 801563999 /nfs/dbraw/zinc/56/39/99/801563999.db2.gz HLULBHUGDBVGFW-GXTWGEPZSA-N 1 1 292.448 3.079 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(F)s2)CC[C@@H]1C ZINC001072112625 801565544 /nfs/dbraw/zinc/56/55/44/801565544.db2.gz CVDWDLQKCCYGEI-RYUDHWBXSA-N 1 1 296.411 3.046 20 30 CGEDMO C=C(C)C[N@H+]1CCC2(CN(C(=O)c3ccc(C)cc3C)C2)C1 ZINC001073400144 801579576 /nfs/dbraw/zinc/57/95/76/801579576.db2.gz NIQBOQDZHUKBBI-UHFFFAOYSA-N 1 1 298.430 3.027 20 30 CGEDMO C=C(C)C[N@H+]1CCC2(CN(C(=O)c3cc(C)ccc3C)C2)C1 ZINC001073149908 801580062 /nfs/dbraw/zinc/58/00/62/801580062.db2.gz GAMRFFISXZFSEV-UHFFFAOYSA-N 1 1 298.430 3.027 20 30 CGEDMO C#Cc1ccc(C(=O)N2CCCC[C@@H]2C[N@H+](C)C(C)C)cc1 ZINC001074045460 801584072 /nfs/dbraw/zinc/58/40/72/801584072.db2.gz QHTKZUUMKUGBNX-GOSISDBHSA-N 1 1 298.430 3.003 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)cs2)C1 ZINC001079663746 801646346 /nfs/dbraw/zinc/64/63/46/801646346.db2.gz UOWBNYBZFMJSJH-ZIAGYGMSSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CCC=CCC2)C1 ZINC001080959528 801656950 /nfs/dbraw/zinc/65/69/50/801656950.db2.gz ILELIKYXGRXYDZ-NVXWUHKLSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@](C)(C=C)CC)C[C@@H]21 ZINC001085024345 801674803 /nfs/dbraw/zinc/67/48/03/801674803.db2.gz NYCNLMWHDNJXTF-SOLBZPMBSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)C(C)(C)C)C[C@@H]21 ZINC001084971807 801675143 /nfs/dbraw/zinc/67/51/43/801675143.db2.gz CJTTZHCTTVYQEK-OAGGEKHMSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC2(CC2)C1 ZINC001085594676 801696491 /nfs/dbraw/zinc/69/64/91/801696491.db2.gz MWPZDLNPUCCKDM-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c(C)oc2ccccc21 ZINC001085614460 801697732 /nfs/dbraw/zinc/69/77/32/801697732.db2.gz ORUKOIQRUFWHCQ-AWEZNQCLSA-N 1 1 298.386 3.074 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(C)oc2ccccc21 ZINC001085614460 801697738 /nfs/dbraw/zinc/69/77/38/801697738.db2.gz ORUKOIQRUFWHCQ-AWEZNQCLSA-N 1 1 298.386 3.074 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)o2)[C@H]1CC ZINC001087504069 801754828 /nfs/dbraw/zinc/75/48/28/801754828.db2.gz MNWIUKAYYHGFFR-NWDGAFQWSA-N 1 1 296.798 3.092 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CC=CCC2)[C@H]1CC ZINC001087584416 801757625 /nfs/dbraw/zinc/75/76/25/801757625.db2.gz FNNXMSYYTHNLGI-LZLYRXPVSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C2CCC2)[C@H]1CC ZINC001087620126 801760161 /nfs/dbraw/zinc/76/01/61/801760161.db2.gz RYWUHSMSWMNKOX-HYVNUMGLSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC)o2)[C@H]1C ZINC001088670658 801803499 /nfs/dbraw/zinc/80/34/99/801803499.db2.gz RDJDBGVAWZCXLP-HIFRSBDPSA-N 1 1 290.407 3.001 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CC(CC)CC)[C@@H]2C)C1 ZINC001088844578 801811225 /nfs/dbraw/zinc/81/12/25/801811225.db2.gz WWRDVSBWXASDNF-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[N@H+](C/C=C\Cl)[C@@H]2C)CC1 ZINC001088838491 801812351 /nfs/dbraw/zinc/81/23/51/801812351.db2.gz MGUKNHWWBMNOCT-UFHTTZMSSA-N 1 1 296.842 3.064 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](C/C=C\Cl)[C@@H]2C)CC1 ZINC001088838491 801812357 /nfs/dbraw/zinc/81/23/57/801812357.db2.gz MGUKNHWWBMNOCT-UFHTTZMSSA-N 1 1 296.842 3.064 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)[C@H]1C ZINC001088993292 801815480 /nfs/dbraw/zinc/81/54/80/801815480.db2.gz ZXWFGAGZEZLEAP-VQHPVUNQSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(C3CC3)c2)[C@H]1C ZINC001089065834 801818174 /nfs/dbraw/zinc/81/81/74/801818174.db2.gz DITOLQGLZBPTDZ-KDOFPFPSSA-N 1 1 298.430 3.333 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@]2(C)C=CCC2)CC(C)(C)C1 ZINC001089466272 801839133 /nfs/dbraw/zinc/83/91/33/801839133.db2.gz CCSSWVMMZNIJMR-MAUKXSAKSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C2CC2)CC(C)(C)C1 ZINC001089464953 801840334 /nfs/dbraw/zinc/84/03/34/801840334.db2.gz MWEDWJMTZZONAP-HNNXBMFYSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001089606088 801846875 /nfs/dbraw/zinc/84/68/75/801846875.db2.gz VPFAETBFGNTJAX-HOTGVXAUSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1=CCCC1 ZINC001089630035 801847421 /nfs/dbraw/zinc/84/74/21/801847421.db2.gz ZSXGQXRMUJAXHU-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[C@H](C)CC2)[C@H](C)C1 ZINC001093146182 801863918 /nfs/dbraw/zinc/86/39/18/801863918.db2.gz FSYTZZQOAQSGQO-QBPKDAKJSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)C3CCCC3)CCC[C@@H]12 ZINC001094346654 801871445 /nfs/dbraw/zinc/87/14/45/801871445.db2.gz BQKMOFCTVVHNDX-SJLPKXTDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C)CCCCC1)C2 ZINC001095961399 801887568 /nfs/dbraw/zinc/88/75/68/801887568.db2.gz GXBLXXOCHZOLAR-PMPSAXMXSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C1CCC1)C2 ZINC001097315383 801899950 /nfs/dbraw/zinc/89/99/50/801899950.db2.gz XHGTUBQZPCCGHO-SVGFKBNWSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1C/C=C\Cl ZINC001098965784 801922043 /nfs/dbraw/zinc/92/20/43/801922043.db2.gz BJGWEWLUMWMJIH-APFBBLRHSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCC=C ZINC001098966192 801922266 /nfs/dbraw/zinc/92/22/66/801922266.db2.gz HWYIEGQUYPSDQB-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)/C(C)=C\C ZINC001099000835 801924637 /nfs/dbraw/zinc/92/46/37/801924637.db2.gz NDENEUNRVUYVAY-NFEOESJKSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)/C(C)=C\C ZINC001099000835 801924645 /nfs/dbraw/zinc/92/46/45/801924645.db2.gz NDENEUNRVUYVAY-NFEOESJKSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)CCC ZINC001098983963 801924970 /nfs/dbraw/zinc/92/49/70/801924970.db2.gz UJRVAURYSRZBDH-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C=C1CCC1 ZINC001099012109 801925975 /nfs/dbraw/zinc/92/59/75/801925975.db2.gz HGZUTMSTTIRIAG-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)C(C)(C)C ZINC001099121678 801927527 /nfs/dbraw/zinc/92/75/27/801927527.db2.gz MXDJHFPFVASCON-HUUCEWRRSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1(C)CC1 ZINC001099084923 801928441 /nfs/dbraw/zinc/92/84/41/801928441.db2.gz HXSQIVMELMSVHI-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C#CC(C)C ZINC001099065304 801928654 /nfs/dbraw/zinc/92/86/54/801928654.db2.gz OWAZUMABKWSNCI-INIZCTEOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)CC(=C)C ZINC001099189306 801931837 /nfs/dbraw/zinc/93/18/37/801931837.db2.gz QBOGCJULPKGKCA-JKSUJKDBSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCF ZINC001099187959 801932111 /nfs/dbraw/zinc/93/21/11/801932111.db2.gz ACNWPWARQNXJLF-CABCVRRESA-N 1 1 298.446 3.165 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCF ZINC001099187959 801932115 /nfs/dbraw/zinc/93/21/15/801932115.db2.gz ACNWPWARQNXJLF-CABCVRRESA-N 1 1 298.446 3.165 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC ZINC001099189652 801932645 /nfs/dbraw/zinc/93/26/45/801932645.db2.gz VMEVFZOHEYDURF-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1(C)CCC1 ZINC001099175343 801932860 /nfs/dbraw/zinc/93/28/60/801932860.db2.gz HZPADNXVBFTHCN-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)CCC(C)C)C[C@]2(C)C1 ZINC001101121564 801971176 /nfs/dbraw/zinc/97/11/76/801971176.db2.gz NTKJMLZMMRAWTN-AEFFLSMTSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H](C)C(C)C)C[C@]2(C)C1 ZINC001101170469 801974080 /nfs/dbraw/zinc/97/40/80/801974080.db2.gz HBWCJKXWOMQNEU-NUJGCVRESA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C)CC(C)C)C[C@]2(C)C1 ZINC001101408088 801977758 /nfs/dbraw/zinc/97/77/58/801977758.db2.gz LKDVAEOMUASUGN-JZXOWHBKSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](CNC(=O)C2CCCCC2)[C@H](C)C1 ZINC001101683731 801985580 /nfs/dbraw/zinc/98/55/80/801985580.db2.gz IBVIWVZWWBRXTJ-NVXWUHKLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CC(C)(C)C)[C@H](C)C1 ZINC001101726280 801987982 /nfs/dbraw/zinc/98/79/82/801987982.db2.gz OFJQDKQHSLMIDV-BZUAXINKSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](CNC(=O)CCC2CCCC2)[C@H](C)C1 ZINC001101696517 801988350 /nfs/dbraw/zinc/98/83/50/801988350.db2.gz QIABUSWIVRZUPR-NVXWUHKLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)C(C)(C)C)[C@H](C)C1 ZINC001102093630 801999865 /nfs/dbraw/zinc/99/98/65/801999865.db2.gz VAUHPJDPTWRJNA-OWCLPIDISA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](F)CC)[C@H](C)C1 ZINC001102233272 801999914 /nfs/dbraw/zinc/99/99/14/801999914.db2.gz PNIQBCRXOPVPJF-OAGGEKHMSA-N 1 1 298.446 3.165 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[C@@H]2C)[C@H](C)C1 ZINC001102227282 802000682 /nfs/dbraw/zinc/00/06/82/802000682.db2.gz DCRHFCDEDKHNFD-HZMVEIRTSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C ZINC001102263047 802004185 /nfs/dbraw/zinc/00/41/85/802004185.db2.gz TVCDYMHVTJQPBZ-HLLBOEOZSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@H](CCC)C(C)C)[C@H](C)C1 ZINC001102418048 802006104 /nfs/dbraw/zinc/00/61/04/802006104.db2.gz PYQNQRMTTSKCGE-BRWVUGGUSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C ZINC001102407665 802006141 /nfs/dbraw/zinc/00/61/41/802006141.db2.gz HIQXLKZCUZDLFT-HZPDHXFCSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](CCC)CC(C)C)[C@H](C)C1 ZINC001102606371 802012729 /nfs/dbraw/zinc/01/27/29/802012729.db2.gz GXBMWHVVSAISBR-IXDOHACOSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC(C)C)C1 ZINC001102643451 802014756 /nfs/dbraw/zinc/01/47/56/802014756.db2.gz VLBKZIAWAYAGDS-HZPDHXFCSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CCCCCC2)C1 ZINC001102762871 802019934 /nfs/dbraw/zinc/01/99/34/802019934.db2.gz WTTCWJLWXIXWKS-NVXWUHKLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)/C=C(/C)CC)C1 ZINC001102953419 802023356 /nfs/dbraw/zinc/02/33/56/802023356.db2.gz FVJKVWDINGITCM-FBCVODPVSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)CCCC)C1 ZINC001102935625 802023556 /nfs/dbraw/zinc/02/35/56/802023556.db2.gz OBINGGZXHCYKBL-GVDBMIGSSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NCC[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC001103346583 802030735 /nfs/dbraw/zinc/03/07/35/802030735.db2.gz NIGONGUBYZOYQI-BZUAXINKSA-N 1 1 280.456 3.071 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NCC[C@@H]1C[N@@H+](CCC)C[C@H]1C ZINC001103350093 802032898 /nfs/dbraw/zinc/03/28/98/802032898.db2.gz DUHATHCANAHODJ-OWCLPIDISA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC)CC2 ZINC001107419162 802088141 /nfs/dbraw/zinc/08/81/41/802088141.db2.gz JBCXQVGSTYKKMD-CZUORRHYSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(C)(C)C1CC1)C2 ZINC001109242692 802112466 /nfs/dbraw/zinc/11/24/66/802112466.db2.gz HLCPNEFAFGTDBK-PMPSAXMXSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(C)(C)C1CC1)C2 ZINC001109239997 802112760 /nfs/dbraw/zinc/11/27/60/802112760.db2.gz OYXGGSAZHLZDQU-PMPSAXMXSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC/C=C/CC ZINC001109353571 802114634 /nfs/dbraw/zinc/11/46/34/802114634.db2.gz NTLRANWSOABOIQ-RKOVHHPESA-N 1 1 290.451 3.421 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C(C)(C)C)C2 ZINC001109450547 802117123 /nfs/dbraw/zinc/11/71/23/802117123.db2.gz WXMFZFCZDJESKK-FZKCQIBNSA-N 1 1 292.467 3.356 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(C)C ZINC001109632959 802120513 /nfs/dbraw/zinc/12/05/13/802120513.db2.gz JKEZHGZQIOLZSO-YVSFHVDLSA-N 1 1 290.451 3.276 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(=C)C ZINC001109683585 802123293 /nfs/dbraw/zinc/12/32/93/802123293.db2.gz SAVCHUKQJNOXDN-CVYDXHPNSA-N 1 1 290.451 3.276 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C\Cl ZINC001109678851 802123709 /nfs/dbraw/zinc/12/37/09/802123709.db2.gz JWNKAOKJVSQGND-NGYSACJOSA-N 1 1 296.842 3.063 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C/C=C\Cl ZINC001109678851 802123712 /nfs/dbraw/zinc/12/37/12/802123712.db2.gz JWNKAOKJVSQGND-NGYSACJOSA-N 1 1 296.842 3.063 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(CC)(CC)CC)C2 ZINC001109886921 802127758 /nfs/dbraw/zinc/12/77/58/802127758.db2.gz HFVUMSGFAOPGSH-ILXRZTDVSA-N 1 1 278.440 3.110 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC1(C)CC1)C2 ZINC001109926183 802127938 /nfs/dbraw/zinc/12/79/38/802127938.db2.gz WMXYKPDIFJDRLQ-PMPSAXMXSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)C1CC1)C2 ZINC001110168721 802132488 /nfs/dbraw/zinc/13/24/88/802132488.db2.gz ZSVYWJICORVUQP-SIXLDLHFSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC(=C)C)C2 ZINC001110609764 802146553 /nfs/dbraw/zinc/14/65/53/802146553.db2.gz VJSJRTOFLTVEPJ-HZMVEIRTSA-N 1 1 290.451 3.419 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C/Cl ZINC001110892212 802148575 /nfs/dbraw/zinc/14/85/75/802148575.db2.gz RATKNTOPECEEBB-BIHARUESSA-N 1 1 296.842 3.063 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C/C=C/Cl ZINC001110892212 802148577 /nfs/dbraw/zinc/14/85/77/802148577.db2.gz RATKNTOPECEEBB-BIHARUESSA-N 1 1 296.842 3.063 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(C)=C(C)C)C2 ZINC001110906656 802148669 /nfs/dbraw/zinc/14/86/69/802148669.db2.gz CSZFPAOJPPPTPA-ZACQAIPSSA-N 1 1 290.451 3.421 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@](C)(C=C)CC)C2 ZINC001110984996 802152723 /nfs/dbraw/zinc/15/27/23/802152723.db2.gz PVMCWXGUTUNHOA-CBZIJGRNSA-N 1 1 290.451 3.276 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)CC1CCCC1)C2 ZINC001111095753 802155222 /nfs/dbraw/zinc/15/52/22/802155222.db2.gz VTOKTWIYOXFYEY-SVGFKBNWSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)/C(C)=C\CC)C1 ZINC001111632475 802165177 /nfs/dbraw/zinc/16/51/77/802165177.db2.gz PNTAZXXIHIYKLC-SRVMLKLISA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)/C=C(\C)CC)C1 ZINC001111734394 802168651 /nfs/dbraw/zinc/16/86/51/802168651.db2.gz XMDJNHZPEOHQJB-SJKNXKOVSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)/C=C(\C)CC)C1 ZINC001111734394 802168653 /nfs/dbraw/zinc/16/86/53/802168653.db2.gz XMDJNHZPEOHQJB-SJKNXKOVSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC[C@@H](C)F)C2 ZINC001111764916 802168970 /nfs/dbraw/zinc/16/89/70/802168970.db2.gz JGEDOMRVDVAEIG-VYDXJSESSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=C)C)C2 ZINC001111848417 802171062 /nfs/dbraw/zinc/17/10/62/802171062.db2.gz GHCOKUDHCXDLNP-BQFCYCMXSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H](C)CC)C1 ZINC001111912694 802172953 /nfs/dbraw/zinc/17/29/53/802172953.db2.gz PUYKHSYNMXGCAY-BQFCYCMXSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)CC ZINC001114191455 802239926 /nfs/dbraw/zinc/23/99/26/802239926.db2.gz HRXVDCREKRXNPD-CBZIJGRNSA-N 1 1 294.483 3.439 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)C(C)C ZINC001114912286 802247008 /nfs/dbraw/zinc/24/70/08/802247008.db2.gz CPXIVKIJJXOJIG-NCOADZHNSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)CCCCC ZINC001114935673 802248476 /nfs/dbraw/zinc/24/84/76/802248476.db2.gz UDBBTCVMMNZIGR-CBZIJGRNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)CCC(C)(C)C ZINC001115125991 802253268 /nfs/dbraw/zinc/25/32/68/802253268.db2.gz GHBCNDBSNBQDNU-CAOSSQGBSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](CC)C(C)(C)C ZINC001115114225 802253440 /nfs/dbraw/zinc/25/34/40/802253440.db2.gz YSCJTHBPOPYGBE-LJIGWXMPSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CCC)CC(C)C ZINC001115320362 802256933 /nfs/dbraw/zinc/25/69/33/802256933.db2.gz LAHCRDXGRWPIRI-NCOADZHNSA-N 1 1 292.467 3.071 20 30 CGEDMO Cc1[nH+]c(N2CCC(F)(F)C(C)(C)C2)ccc1CC#N ZINC001165216098 806975760 /nfs/dbraw/zinc/97/57/60/806975760.db2.gz IQJFYAWQLQRXMF-UHFFFAOYSA-N 1 1 279.334 3.328 20 30 CGEDMO CC[N@@H+](CCNC(=O)C#CC(C)(C)C)CCC1CCCC1 ZINC001266390743 808254398 /nfs/dbraw/zinc/25/43/98/808254398.db2.gz JXFUTRLWPVDJCW-UHFFFAOYSA-N 1 1 292.467 3.054 20 30 CGEDMO CC(C)n1ccc(C[NH2+]C2CC(C#N)(c3ccccc3)C2)n1 ZINC001116704077 802398159 /nfs/dbraw/zinc/39/81/59/802398159.db2.gz KNOGMFZYIDFWFC-UHFFFAOYSA-N 1 1 294.402 3.178 20 30 CGEDMO C=CCn1cnn(C[N@H+]2CCC[C@H](C(C)(C)C)C2)c1=S ZINC001116886095 802425093 /nfs/dbraw/zinc/42/50/93/802425093.db2.gz FUDFMETVYACZEB-ZDUSSCGKSA-N 1 1 294.468 3.316 20 30 CGEDMO C=CCn1cnn(C[N@@H+]2CCC[C@H](C(C)(C)C)C2)c1=S ZINC001116886095 802425098 /nfs/dbraw/zinc/42/50/98/802425098.db2.gz FUDFMETVYACZEB-ZDUSSCGKSA-N 1 1 294.468 3.316 20 30 CGEDMO C#C[C@H]([NH2+]Cc1cccn1C1CC1)c1ccc(F)cc1 ZINC001117748414 802486813 /nfs/dbraw/zinc/48/68/13/802486813.db2.gz ZNMGFRMFAIKRFW-KRWDZBQOSA-N 1 1 268.335 3.426 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccnc(F)c1 ZINC001118824329 802607558 /nfs/dbraw/zinc/60/75/58/802607558.db2.gz CIVFETZBDMQHIN-LBPRGKRZSA-N 1 1 269.323 3.285 20 30 CGEDMO N#CCC1(C[N@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)CC1 ZINC001119252363 802638896 /nfs/dbraw/zinc/63/88/96/802638896.db2.gz BZXMJZBLOQPBOI-AWEZNQCLSA-N 1 1 294.402 3.436 20 30 CGEDMO Cc1cccc(NC[C@@H]2CCC[N@@H+]2C[C@H](C)CCC#N)n1 ZINC001119296247 802644739 /nfs/dbraw/zinc/64/47/39/802644739.db2.gz PFXCWEIZGAGOCG-ZBFHGGJFSA-N 1 1 286.423 3.206 20 30 CGEDMO N#CC1CCC(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)CC1 ZINC001119740966 802697107 /nfs/dbraw/zinc/69/71/07/802697107.db2.gz SGSJFWXKHQBXOO-RJYAGPCLSA-N 1 1 296.414 3.448 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](C[C@@H]2CCCC(C)(C)C2)C1 ZINC001180317511 809992370 /nfs/dbraw/zinc/99/23/70/809992370.db2.gz HRQAHWDZLJCVGA-CABCVRRESA-N 1 1 251.414 3.480 20 30 CGEDMO N#CC[C@@H](O)C[N@H+]1CCCCC[C@H]1/C=C/c1cccs1 ZINC001119807495 802700136 /nfs/dbraw/zinc/70/01/36/802700136.db2.gz AZSCLUVKCJKFER-MHKRFPNSSA-N 1 1 290.432 3.280 20 30 CGEDMO C[C@H](CO)[N@@H+](CCCCC1(C#N)CCC1)C1CCCC1 ZINC001119837896 802703231 /nfs/dbraw/zinc/70/32/31/802703231.db2.gz OFUAODAVCZZZPP-OAHLLOKOSA-N 1 1 278.440 3.476 20 30 CGEDMO C=CC[C@H]([NH2+][C@H](C)CCCC(F)(F)F)C(=O)OCC ZINC001181458224 810053662 /nfs/dbraw/zinc/05/36/62/810053662.db2.gz UJKFROGHOOMVSJ-MNOVXSKESA-N 1 1 281.318 3.205 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCCC)C1 ZINC001120321679 802739261 /nfs/dbraw/zinc/73/92/61/802739261.db2.gz ZQUCJUTXZUIOJJ-HOTGVXAUSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCC(C)C)C1 ZINC001120320695 802739507 /nfs/dbraw/zinc/73/95/07/802739507.db2.gz RTBSXMPAUJQKNU-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CC)C1 ZINC001120430069 802744205 /nfs/dbraw/zinc/74/42/05/802744205.db2.gz GZINCIZXZPERRE-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO N#CC1(c2cccc(-c3cc(-n4ccnc4)cc[nH+]3)c2)CC1 ZINC001244074780 803172396 /nfs/dbraw/zinc/17/23/96/803172396.db2.gz RHIXJNIRUFZZTK-UHFFFAOYSA-N 1 1 286.338 3.489 20 30 CGEDMO C=CCCCCCC[N@@H+]1CCC[C@]1(C)C(=O)OC ZINC001209430902 814031077 /nfs/dbraw/zinc/03/10/77/814031077.db2.gz DKPXMJZBTNSAHQ-OAHLLOKOSA-N 1 1 253.386 3.150 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)CCC(C)C)CC[C@@H]1C ZINC001131788979 803346856 /nfs/dbraw/zinc/34/68/56/803346856.db2.gz ZUSNRWUSJFDPRK-HOTGVXAUSA-N 1 1 280.456 3.358 20 30 CGEDMO C#CCCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCCCC)C1 ZINC001131976610 803363635 /nfs/dbraw/zinc/36/36/35/803363635.db2.gz NFZIHSGXVCMCBW-DLBZAZTESA-N 1 1 292.467 3.339 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)C2CC(C)(C)C2)CC[C@H]1C ZINC001132000237 803365402 /nfs/dbraw/zinc/36/54/02/803365402.db2.gz ZLCSTEVJCIKAML-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO CC(C)C#CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCCC(C)C)C1 ZINC001132021878 803367127 /nfs/dbraw/zinc/36/71/27/803367127.db2.gz QZJMFSZIPWFBCN-IAGOWNOFSA-N 1 1 292.467 3.051 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(=C)C)CC[C@H]1C ZINC001132219069 803380558 /nfs/dbraw/zinc/38/05/58/803380558.db2.gz ZNQRNNNSKMOXGO-CABCVRRESA-N 1 1 278.440 3.134 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)C2(CCC)CC2)CC[C@@H]1C ZINC001132273357 803390949 /nfs/dbraw/zinc/39/09/49/803390949.db2.gz FKXZKHKBFKGYJY-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](C/C=C\Cl)C1 ZINC001132330315 803396306 /nfs/dbraw/zinc/39/63/06/803396306.db2.gz FMXNWBRMPRYRMX-DNFKICFMSA-N 1 1 298.858 3.310 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](C/C=C\Cl)C1 ZINC001132330315 803396311 /nfs/dbraw/zinc/39/63/11/803396311.db2.gz FMXNWBRMPRYRMX-DNFKICFMSA-N 1 1 298.858 3.310 20 30 CGEDMO CC#CC[N@H+]1C[C@H](NC(=O)C(CC)(CC)CC)CC[C@@H]1C ZINC001132385095 803399445 /nfs/dbraw/zinc/39/94/45/803399445.db2.gz YKSIDWSTSSUUJM-JKSUJKDBSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)C(C)(C)CC(C)C)CC[C@H]1C ZINC001132417369 803402586 /nfs/dbraw/zinc/40/25/86/803402586.db2.gz WNAIWXYWZNSJTK-HUUCEWRRSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)C2(CC=C)CCCC2)CC[C@@H]1C ZINC001132545939 803413323 /nfs/dbraw/zinc/41/33/23/803413323.db2.gz HBPWBNDZJYSTLQ-JKSUJKDBSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC[N@H+](Cc1nc(C(F)(F)F)c[nH]1)C(C)(C)C ZINC001137018917 803672416 /nfs/dbraw/zinc/67/24/16/803672416.db2.gz KGOVQAMGBKYDFR-UHFFFAOYSA-N 1 1 261.291 3.215 20 30 CGEDMO C=CC[N@@H+](Cc1nc(C(F)(F)F)c[nH]1)C(C)(C)C ZINC001137018917 803672419 /nfs/dbraw/zinc/67/24/19/803672419.db2.gz KGOVQAMGBKYDFR-UHFFFAOYSA-N 1 1 261.291 3.215 20 30 CGEDMO C=CC[N@H+](Cc1cccc(OC)n1)C1CCCCC1 ZINC001137535602 803739502 /nfs/dbraw/zinc/73/95/02/803739502.db2.gz YCZCHACGTVUHLB-UHFFFAOYSA-N 1 1 260.381 3.411 20 30 CGEDMO COc1ccc(C[N@H+]2CCCC[C@H](C)C2)c(C#N)c1 ZINC001137698497 803759838 /nfs/dbraw/zinc/75/98/38/803759838.db2.gz ZKPKJNQTUBUMAZ-ZDUSSCGKSA-N 1 1 258.365 3.189 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)c(F)c1F ZINC001137970169 803813930 /nfs/dbraw/zinc/81/39/30/803813930.db2.gz YNCBRHOWZJYKHR-GFCCVEGCSA-N 1 1 264.319 3.399 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)c(F)c1F ZINC001137970169 803813939 /nfs/dbraw/zinc/81/39/39/803813939.db2.gz YNCBRHOWZJYKHR-GFCCVEGCSA-N 1 1 264.319 3.399 20 30 CGEDMO C#CC[NH+](CC#C)Cc1cccc(OCc2ccccc2)c1 ZINC001138081548 803848670 /nfs/dbraw/zinc/84/86/70/803848670.db2.gz YROMGMBHWGJUIY-UHFFFAOYSA-N 1 1 289.378 3.334 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)o2)C1 ZINC001138176067 803871038 /nfs/dbraw/zinc/87/10/38/803871038.db2.gz RZJWHABSHJEODZ-OAHLLOKOSA-N 1 1 287.407 3.396 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1c[nH]c2cc(C(=O)OC)ccc12 ZINC001138266267 803887770 /nfs/dbraw/zinc/88/77/70/803887770.db2.gz NDNWRPFXFZNVSS-UHFFFAOYSA-N 1 1 299.374 3.080 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1c[nH]c2cc(C(=O)OC)ccc12 ZINC001138266267 803887777 /nfs/dbraw/zinc/88/77/77/803887777.db2.gz NDNWRPFXFZNVSS-UHFFFAOYSA-N 1 1 299.374 3.080 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccccc2N2CCCC2)C1 ZINC001138611431 803977761 /nfs/dbraw/zinc/97/77/61/803977761.db2.gz OMZPTHKVAMHPEH-MRXNPFEDSA-N 1 1 283.419 3.412 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2CC[C@H](C)[C@](C)(O)CC2)c1O ZINC001138625909 803982260 /nfs/dbraw/zinc/98/22/60/803982260.db2.gz WVUZDFMRXZFDKU-KBXCAEBGSA-N 1 1 289.419 3.104 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c1O ZINC001138624282 803982445 /nfs/dbraw/zinc/98/24/45/803982445.db2.gz AYTHTAUTDYNEJQ-NVXWUHKLSA-N 1 1 287.403 3.122 20 30 CGEDMO C=CCc1cccc(C[N@@H+](CCO)Cc2ccccc2)c1O ZINC001138623947 803983677 /nfs/dbraw/zinc/98/36/77/803983677.db2.gz LDDYPOCRXUDSCT-UHFFFAOYSA-N 1 1 297.398 3.115 20 30 CGEDMO C=CCc1cccc(CN2CCC([N@H+](C)CC)CC2)c1O ZINC001138631631 803985356 /nfs/dbraw/zinc/98/53/56/803985356.db2.gz WJCNTVSCXCDTDY-UHFFFAOYSA-N 1 1 288.435 3.037 20 30 CGEDMO C=CCc1cccc(CN(C)CCC[NH+]2CCCC2)c1O ZINC001138629359 803986080 /nfs/dbraw/zinc/98/60/80/803986080.db2.gz WCSYRQAGEVNSTA-UHFFFAOYSA-N 1 1 288.435 3.038 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CCCC2(COC2)C1 ZINC001138662522 803996074 /nfs/dbraw/zinc/99/60/74/803996074.db2.gz ZZEKFJQQUJJIEK-UHFFFAOYSA-N 1 1 287.403 3.254 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1CCOCC12CCC2 ZINC001138665170 803996631 /nfs/dbraw/zinc/99/66/31/803996631.db2.gz HNQQSIISCRGMBB-UHFFFAOYSA-N 1 1 287.403 3.396 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CCOCC12CCC2 ZINC001138665170 803996637 /nfs/dbraw/zinc/99/66/37/803996637.db2.gz HNQQSIISCRGMBB-UHFFFAOYSA-N 1 1 287.403 3.396 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1CCCCC12COC2 ZINC001138664991 803997159 /nfs/dbraw/zinc/99/71/59/803997159.db2.gz DGTSSIALURUVLM-UHFFFAOYSA-N 1 1 287.403 3.396 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CCCCC12COC2 ZINC001138664991 803997163 /nfs/dbraw/zinc/99/71/63/803997163.db2.gz DGTSSIALURUVLM-UHFFFAOYSA-N 1 1 287.403 3.396 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CC[C@@H](C(C)=O)C1 ZINC001138666414 803998634 /nfs/dbraw/zinc/99/86/34/803998634.db2.gz RNATYKSHQKTHEX-OAHLLOKOSA-N 1 1 273.376 3.052 20 30 CGEDMO Fc1ccc(Cl)c(C[NH+]2CCC(S)CC2)c1 ZINC001138673703 804002273 /nfs/dbraw/zinc/00/22/73/804002273.db2.gz CJTGLJZCJYKRGJ-UHFFFAOYSA-N 1 1 259.777 3.373 20 30 CGEDMO CCN(CC)c1ncc(C[N@H+]2CCC[C@H](C#N)CC2)s1 ZINC001138800041 804041957 /nfs/dbraw/zinc/04/19/57/804041957.db2.gz QIJYJCDZUGEOCI-ZDUSSCGKSA-N 1 1 292.452 3.115 20 30 CGEDMO CCCCCCCC[C@H](O)C[NH2+][C@H]1CNCCC1(C)C ZINC001246004335 804097376 /nfs/dbraw/zinc/09/73/76/804097376.db2.gz OSVQMVULCHDDNG-HOTGVXAUSA-N 1 1 284.488 3.076 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1C[C@H]2CCCC(=O)[C@@H]2C1 ZINC001139030237 804113574 /nfs/dbraw/zinc/11/35/74/804113574.db2.gz BAZDBMJDOMWEES-GDBMZVCRSA-N 1 1 285.387 3.052 20 30 CGEDMO CCCCCCC[C@H](CCC)[NH2+][C@H]1CN[C@@H]2CCO[C@@H]21 ZINC001246149707 804169333 /nfs/dbraw/zinc/16/93/33/804169333.db2.gz DYTLCCCUYFIYFR-YVSFHVDLSA-N 1 1 282.472 3.235 20 30 CGEDMO C#CC[NH+](CC#C)Cc1ccc(-c2ccc(OC)cc2)s1 ZINC001139290950 804173113 /nfs/dbraw/zinc/17/31/13/804173113.db2.gz UWITWYQDUBBJJC-UHFFFAOYSA-N 1 1 295.407 3.492 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)nc2)C1 ZINC001139344690 804179352 /nfs/dbraw/zinc/17/93/52/804179352.db2.gz KKASGGZETRVHOU-MRXNPFEDSA-N 1 1 298.434 3.198 20 30 CGEDMO C[C@@]1(F)CCCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001139526610 804201270 /nfs/dbraw/zinc/20/12/70/804201270.db2.gz APEUWJPRTPDPHF-OAHLLOKOSA-N 1 1 264.319 3.411 20 30 CGEDMO C[C@@]1(F)CCCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC001139526610 804201272 /nfs/dbraw/zinc/20/12/72/804201272.db2.gz APEUWJPRTPDPHF-OAHLLOKOSA-N 1 1 264.319 3.411 20 30 CGEDMO Cc1cc(C[N@@H+]2CCC[C@@H](C#N)CC2)cnc1Cl ZINC001139545041 804204081 /nfs/dbraw/zinc/20/40/81/804204081.db2.gz OFZBSKIEFJZZQZ-GFCCVEGCSA-N 1 1 263.772 3.169 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@@H](C#N)CC2)cnc1Cl ZINC001139545041 804204087 /nfs/dbraw/zinc/20/40/87/804204087.db2.gz OFZBSKIEFJZZQZ-GFCCVEGCSA-N 1 1 263.772 3.169 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](F)CC2)c1 ZINC001139646684 804242082 /nfs/dbraw/zinc/24/20/82/804242082.db2.gz DOGOZBXLRXGRFT-ZDUSSCGKSA-N 1 1 250.292 3.021 20 30 CGEDMO CCCCCCCCCC[C@H](C)[NH2+][C@H]1CN[C@@H](CO)C1 ZINC001246267852 804248573 /nfs/dbraw/zinc/24/85/73/804248573.db2.gz ZNJLEPMMZADUIJ-GVDBMIGSSA-N 1 1 284.488 3.218 20 30 CGEDMO CCOCC1CC[NH+](Cc2cccc(Cl)c2C#N)CC1 ZINC001139691658 804256043 /nfs/dbraw/zinc/25/60/43/804256043.db2.gz CZWBAVUDVMGOMG-UHFFFAOYSA-N 1 1 292.810 3.460 20 30 CGEDMO C[C@@]1(F)CC[N@H+](Cc2c[nH]c3c2cccc3C#N)C[C@H]1F ZINC001139701199 804258856 /nfs/dbraw/zinc/25/88/56/804258856.db2.gz CNNZOFWEYRXUQE-GDBMZVCRSA-N 1 1 289.329 3.312 20 30 CGEDMO C[C@@]1(F)CC[N@@H+](Cc2c[nH]c3c2cccc3C#N)C[C@H]1F ZINC001139701199 804258866 /nfs/dbraw/zinc/25/88/66/804258866.db2.gz CNNZOFWEYRXUQE-GDBMZVCRSA-N 1 1 289.329 3.312 20 30 CGEDMO CCCCCCC[C@@H](CCC)N[C@@]1(CCO)CC[NH2+]C1 ZINC001246292412 804262301 /nfs/dbraw/zinc/26/23/01/804262301.db2.gz JPBUIPVMHAXKOF-IAGOWNOFSA-N 1 1 284.488 3.220 20 30 CGEDMO Cc1cc(O)cc(C)c1C[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001139712678 804263147 /nfs/dbraw/zinc/26/31/47/804263147.db2.gz VMDPPPZRLCZLJM-UHFFFAOYSA-N 1 1 292.382 3.439 20 30 CGEDMO CCCCCCCCCC[C@H](C)[NH2+][C@H]1CCNC[C@@H]1O ZINC001246307207 804270290 /nfs/dbraw/zinc/27/02/90/804270290.db2.gz DEJUUZREIOYSIW-ULQDDVLXSA-N 1 1 284.488 3.218 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cnc2cccnc2c1 ZINC001139743997 804273182 /nfs/dbraw/zinc/27/31/82/804273182.db2.gz XCSCXOPSEUBMGJ-UHFFFAOYSA-N 1 1 288.354 3.133 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)Cc1ccnc(F)c1 ZINC001139834355 804294628 /nfs/dbraw/zinc/29/46/28/804294628.db2.gz DDSMAKNLCXGHDT-UHFFFAOYSA-N 1 1 256.324 3.409 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccnc(F)c1 ZINC001139834355 804294635 /nfs/dbraw/zinc/29/46/35/804294635.db2.gz DDSMAKNLCXGHDT-UHFFFAOYSA-N 1 1 256.324 3.409 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc3ccccc3n2C)C1 ZINC001139871880 804304246 /nfs/dbraw/zinc/30/42/46/804304246.db2.gz VIROUVYNGKKDNG-CQSZACIVSA-N 1 1 252.361 3.024 20 30 CGEDMO CCC[N@@H+](Cc1cc(F)cc(C#N)c1)C1CCOCC1 ZINC001139878876 804307250 /nfs/dbraw/zinc/30/72/50/804307250.db2.gz YRWMLBNXXRVOOQ-UHFFFAOYSA-N 1 1 276.355 3.088 20 30 CGEDMO C[C@H]1CCCC[N@H+]1Cc1c[nH]c2ccc(C#N)cc12 ZINC001140110035 804378797 /nfs/dbraw/zinc/37/87/97/804378797.db2.gz ASRXUVFBHXTSML-LBPRGKRZSA-N 1 1 253.349 3.414 20 30 CGEDMO N#Cc1ccc2[nH]cc(C[N@@H+]3CCC[C@H](F)CC3)c2c1 ZINC001140110213 804379924 /nfs/dbraw/zinc/37/99/24/804379924.db2.gz GITTVLYWJPQJDS-AWEZNQCLSA-N 1 1 271.339 3.364 20 30 CGEDMO N#Cc1ccc(C2CCC([N@H+]3C[C@@H](N)C4(CC4)C3)CC2)cc1 ZINC001246531834 804384004 /nfs/dbraw/zinc/38/40/04/804384004.db2.gz GIRRDXKDKQTAHX-DAWZGUTISA-N 1 1 295.430 3.008 20 30 CGEDMO N#Cc1ccc(C2CCC(N3C[C@@H]([NH3+])C4(CC4)C3)CC2)cc1 ZINC001246531834 804384027 /nfs/dbraw/zinc/38/40/27/804384027.db2.gz GIRRDXKDKQTAHX-DAWZGUTISA-N 1 1 295.430 3.008 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1cccc2cnccc21 ZINC001140144772 804389484 /nfs/dbraw/zinc/38/94/84/804389484.db2.gz OQHCWPLDAKKQQY-UHFFFAOYSA-N 1 1 253.349 3.360 20 30 CGEDMO Cc1ccc2n[nH]c(C[N@@H+]3[C@@H]4CC[C@H]3C[C@H](C#N)C4)c2c1 ZINC001140330103 804414812 /nfs/dbraw/zinc/41/48/12/804414812.db2.gz MFXXPHLRLKCUEB-ZSOGYDGISA-N 1 1 280.375 3.138 20 30 CGEDMO Cc1ccc2[nH]nc(C[N@H+]3[C@@H]4CC[C@H]3C[C@H](C#N)C4)c2c1 ZINC001140330103 804414816 /nfs/dbraw/zinc/41/48/16/804414816.db2.gz MFXXPHLRLKCUEB-ZSOGYDGISA-N 1 1 280.375 3.138 20 30 CGEDMO Cc1ccc2[nH]nc(C[N@@H+]3[C@@H]4CC[C@H]3C[C@H](C#N)C4)c2c1 ZINC001140330103 804414820 /nfs/dbraw/zinc/41/48/20/804414820.db2.gz MFXXPHLRLKCUEB-ZSOGYDGISA-N 1 1 280.375 3.138 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](C3CCCCC3)C2)cn1 ZINC001140545372 804458310 /nfs/dbraw/zinc/45/83/10/804458310.db2.gz BLJFICGBMFGVRW-INIZCTEOSA-N 1 1 269.392 3.355 20 30 CGEDMO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)nc1 ZINC001140544323 804458478 /nfs/dbraw/zinc/45/84/78/804458478.db2.gz JZHUEPFQYDWNDC-KRWDZBQOSA-N 1 1 293.370 3.299 20 30 CGEDMO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccc(C#N)nc1 ZINC001140544323 804458482 /nfs/dbraw/zinc/45/84/82/804458482.db2.gz JZHUEPFQYDWNDC-KRWDZBQOSA-N 1 1 293.370 3.299 20 30 CGEDMO COc1ccc([C@@H](C)[N@@H+](C)Cc2ccc(C#N)nc2)cc1 ZINC001140545952 804458517 /nfs/dbraw/zinc/45/85/17/804458517.db2.gz QTQMYXINZOALGN-CYBMUJFWSA-N 1 1 281.359 3.155 20 30 CGEDMO Cc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)ccc1O ZINC001140575830 804463754 /nfs/dbraw/zinc/46/37/54/804463754.db2.gz ZXADIMAQZPSZSM-UHFFFAOYSA-N 1 1 266.344 3.204 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2Cl)CC[C@]1(C)O ZINC001140599776 804471199 /nfs/dbraw/zinc/47/11/99/804471199.db2.gz QLTNWFAHMVQEHP-WBMJQRKESA-N 1 1 292.810 3.195 20 30 CGEDMO N#Cc1c(F)cc(C[N@@H+]2CCCC(F)(F)CC2)cc1F ZINC001140750889 804504990 /nfs/dbraw/zinc/50/49/90/804504990.db2.gz BFXCTJRUHKYYOZ-UHFFFAOYSA-N 1 1 286.272 3.458 20 30 CGEDMO N#Cc1c(F)cc(C[N@H+]2CCCC(F)(F)CC2)cc1F ZINC001140750889 804504996 /nfs/dbraw/zinc/50/49/96/804504996.db2.gz BFXCTJRUHKYYOZ-UHFFFAOYSA-N 1 1 286.272 3.458 20 30 CGEDMO CC1(C)CCC[N@H+]1Cc1cc(F)c(C#N)c(F)c1 ZINC001140751138 804505366 /nfs/dbraw/zinc/50/53/66/804505366.db2.gz KYGMBULDQZHCIT-UHFFFAOYSA-N 1 1 250.292 3.211 20 30 CGEDMO CC[C@@H]1CCC[N@@H+](Cc2cc(F)c(C#N)c(F)c2)C1 ZINC001140754927 804506305 /nfs/dbraw/zinc/50/63/05/804506305.db2.gz OWDBZEFMUNKNIZ-LLVKDONJSA-N 1 1 264.319 3.458 20 30 CGEDMO N#Cc1ccc(Br)c(Nc2ccc[nH+]c2N)c1 ZINC001212409014 815022200 /nfs/dbraw/zinc/02/22/00/815022200.db2.gz YZLYLBIUSLMGGG-UHFFFAOYSA-N 1 1 289.136 3.042 20 30 CGEDMO Cc1c[nH]c2nc(NC(C)(C)c3ccc(C#N)cc3)[nH+]cc12 ZINC001165734150 807015346 /nfs/dbraw/zinc/01/53/46/807015346.db2.gz AKMUDQONCUJIBZ-UHFFFAOYSA-N 1 1 291.358 3.437 20 30 CGEDMO C[C@H]1C[C@@H](N)C[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001246864254 804567164 /nfs/dbraw/zinc/56/71/64/804567164.db2.gz SFWWAHFOYSHALG-YUCBAPQESA-N 1 1 297.446 3.254 20 30 CGEDMO C[C@H]1C[C@@H]([NH3+])CN(C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001246864254 804567167 /nfs/dbraw/zinc/56/71/67/804567167.db2.gz SFWWAHFOYSHALG-YUCBAPQESA-N 1 1 297.446 3.254 20 30 CGEDMO N#CC1CCC([N@H+]2CC[C@H](Oc3cccc(F)c3)C2)CC1 ZINC001256971221 807021498 /nfs/dbraw/zinc/02/14/98/807021498.db2.gz MDNDFZHYAMUUOU-PGEKIEPBSA-N 1 1 288.366 3.361 20 30 CGEDMO CCCC[N@@H+](CC)Cc1sc(N)c(C#N)c1Cl ZINC001141108718 804591822 /nfs/dbraw/zinc/59/18/22/804591822.db2.gz FLOIKOFGCIAUBQ-UHFFFAOYSA-N 1 1 271.817 3.477 20 30 CGEDMO CCCCCCCC[C@@H](CC)[N@H+]1CC[C@](N)(C(=O)OC)C1 ZINC001246924004 804603560 /nfs/dbraw/zinc/60/35/60/804603560.db2.gz LBODVGSRMDNKPS-NVXWUHKLSA-N 1 1 298.471 3.092 20 30 CGEDMO N#Cc1cc(F)ccc1C[NH+]1CCC2(CCCOC2)CC1 ZINC001141167776 804603618 /nfs/dbraw/zinc/60/36/18/804603618.db2.gz ZSABZJPIFZHGIH-UHFFFAOYSA-N 1 1 288.366 3.090 20 30 CGEDMO CCCCCCC[C@@H](CCC)[N@H+]1CC[C@@](N)(C(=O)OC)C1 ZINC001246926167 804603671 /nfs/dbraw/zinc/60/36/71/804603671.db2.gz SHYQEWWBGDNMJQ-WBVHZDCISA-N 1 1 298.471 3.092 20 30 CGEDMO CC(C)C[N@H+]([C@H](C)Cc1ccc(C#N)cc1)[C@@H]1CCCNC1 ZINC001246952665 804615488 /nfs/dbraw/zinc/61/54/88/804615488.db2.gz LRAVICDMAPWPME-VQIMIIECSA-N 1 1 299.462 3.199 20 30 CGEDMO CC(C)C[N@@H+]([C@H](C)Cc1ccc(C#N)cc1)[C@@H]1CCCNC1 ZINC001246952665 804615494 /nfs/dbraw/zinc/61/54/94/804615494.db2.gz LRAVICDMAPWPME-VQIMIIECSA-N 1 1 299.462 3.199 20 30 CGEDMO C[C@@H]1CN(C2CCC(c3ccc(C#N)cc3)CC2)C[C@@H](C)[NH2+]1 ZINC001246968411 804621417 /nfs/dbraw/zinc/62/14/17/804621417.db2.gz MOTHGOKMXXOMIP-QAQJPARQSA-N 1 1 297.446 3.267 20 30 CGEDMO COc1ccsc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001141327018 804630921 /nfs/dbraw/zinc/63/09/21/804630921.db2.gz DTFLYWCCFOFIEZ-CNDDSTCGSA-N 1 1 262.378 3.023 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CCC[C@@](C)(CN)C3)C[C@H](C1)C2 ZINC001247001752 804636262 /nfs/dbraw/zinc/63/62/62/804636262.db2.gz KSRWZABOHZTEQW-WFVVYAPDSA-N 1 1 262.441 3.182 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCC[C@@](C)(CN)C3)C[C@H](C1)C2 ZINC001247001752 804636264 /nfs/dbraw/zinc/63/62/64/804636264.db2.gz KSRWZABOHZTEQW-WFVVYAPDSA-N 1 1 262.441 3.182 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc(OC3CCOCC3)cc2)C1 ZINC001141414362 804639912 /nfs/dbraw/zinc/63/99/12/804639912.db2.gz DNWLSNLHVMXSOE-INIZCTEOSA-N 1 1 299.414 3.090 20 30 CGEDMO CCCCCCCCNC(=S)N[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC001247186586 804677215 /nfs/dbraw/zinc/67/72/15/804677215.db2.gz QWCOXVILHSBWKB-GJZGRUSLSA-N 1 1 299.528 3.151 20 30 CGEDMO CSc1nc(C[N@H+](C)Cc2ccsc2)ccc1C#N ZINC001141941647 804680645 /nfs/dbraw/zinc/68/06/45/804680645.db2.gz ROGJODZLWFAHKW-UHFFFAOYSA-N 1 1 289.429 3.369 20 30 CGEDMO CSc1nc(C[N@@H+](C)Cc2ccsc2)ccc1C#N ZINC001141941647 804680648 /nfs/dbraw/zinc/68/06/48/804680648.db2.gz ROGJODZLWFAHKW-UHFFFAOYSA-N 1 1 289.429 3.369 20 30 CGEDMO Cc1cc(-c2noc([C@@H]3CCC[N@@H+]3C(C)C)n2)ccc1C#N ZINC001247368116 804707791 /nfs/dbraw/zinc/70/77/91/804707791.db2.gz HILBNVCYVPMARH-HNNXBMFYSA-N 1 1 296.374 3.462 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1cccc2nn(C)cc21 ZINC001142456751 804724843 /nfs/dbraw/zinc/72/48/43/804724843.db2.gz PXWPHYFLWNGVNW-UHFFFAOYSA-N 1 1 270.380 3.089 20 30 CGEDMO C=C(C)C(=O)N1CCC[C@H]([N@@H+](Cc2ccccc2)C2CC2)C1 ZINC001142511953 804729065 /nfs/dbraw/zinc/72/90/65/804729065.db2.gz YVSPXPJYCZWREP-SFHVURJKSA-N 1 1 298.430 3.218 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(C(=O)OCC)cc1 ZINC001142599191 804744394 /nfs/dbraw/zinc/74/43/94/804744394.db2.gz COKUGVSETPDXHR-UHFFFAOYSA-N 1 1 261.365 3.261 20 30 CGEDMO C[N@H+]1CCC[C@@H](CCNc2cccc(CC#N)c2F)C1 ZINC001165279355 806986452 /nfs/dbraw/zinc/98/64/52/806986452.db2.gz TZPOHABGQPLSJQ-ZDUSSCGKSA-N 1 1 275.371 3.036 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH3+])c1nc(-c2cc(F)c(Cl)cc2F)no1 ZINC001247621419 804781216 /nfs/dbraw/zinc/78/12/16/804781216.db2.gz MWYQYAQQPBXVBS-CAAJLBCPSA-N 1 1 297.692 3.028 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2ccc3ccncc3c2)no1 ZINC001247621974 804781643 /nfs/dbraw/zinc/78/16/43/804781643.db2.gz CHGWFJOQLNCYMT-CQSZACIVSA-N 1 1 280.331 3.251 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2ccc(C(F)(F)F)cn2)no1 ZINC001247622551 804783137 /nfs/dbraw/zinc/78/31/37/804783137.db2.gz NGIBDCBLQJMODC-VIFPVBQESA-N 1 1 298.268 3.116 20 30 CGEDMO N#Cc1ccc2c(C[N@H+]3CCC4(C3)CCOCC4)c[nH]c2c1 ZINC001142921089 804783239 /nfs/dbraw/zinc/78/32/39/804783239.db2.gz GJPXWBPPXXMVFU-UHFFFAOYSA-N 1 1 295.386 3.042 20 30 CGEDMO CCCO[C@H]1CC[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)C1 ZINC001142920793 804783618 /nfs/dbraw/zinc/78/36/18/804783618.db2.gz BZUAWNGNHAPNTH-HNNXBMFYSA-N 1 1 283.375 3.040 20 30 CGEDMO CCC[N@@H+](Cc1c[nH]c2cc(C#N)ccc12)C1CCOCC1 ZINC001142926167 804784195 /nfs/dbraw/zinc/78/41/95/804784195.db2.gz LHJJILSPQHGUFB-UHFFFAOYSA-N 1 1 297.402 3.431 20 30 CGEDMO COc1cc(C)c(C[N@@H+]2CCC[C@H](C#N)C2)c(C)c1 ZINC001142934932 804787408 /nfs/dbraw/zinc/78/74/08/804787408.db2.gz IEAIPMLLCFMBEU-CQSZACIVSA-N 1 1 258.365 3.048 20 30 CGEDMO COc1cc(C)c(C[N@H+]2CCC[C@H](C#N)C2)c(C)c1 ZINC001142934932 804787413 /nfs/dbraw/zinc/78/74/13/804787413.db2.gz IEAIPMLLCFMBEU-CQSZACIVSA-N 1 1 258.365 3.048 20 30 CGEDMO COc1cc(C)c(C[N@@H+]2CC[C@](C)(C#N)C2)c(C)c1 ZINC001142950159 804788956 /nfs/dbraw/zinc/78/89/56/804788956.db2.gz RCUVQWAEPXATAX-MRXNPFEDSA-N 1 1 258.365 3.048 20 30 CGEDMO COc1cc(C)c(C[N@H+]2CC[C@](C)(C#N)C2)c(C)c1 ZINC001142950159 804788959 /nfs/dbraw/zinc/78/89/59/804788959.db2.gz RCUVQWAEPXATAX-MRXNPFEDSA-N 1 1 258.365 3.048 20 30 CGEDMO C[N@H+]1CCC[C@H](CCNc2ccccc2CS)C1 ZINC001165290450 806989043 /nfs/dbraw/zinc/98/90/43/806989043.db2.gz UWYYCIBCLWLKMX-CYBMUJFWSA-N 1 1 264.438 3.260 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2ccc(OC)c3ccccc23)no1 ZINC001247963376 804857037 /nfs/dbraw/zinc/85/70/37/804857037.db2.gz PEHRWORPSAHILW-AWEZNQCLSA-N 1 1 295.342 3.474 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2cccc3ccoc32)no1 ZINC001247962988 804857668 /nfs/dbraw/zinc/85/76/68/804857668.db2.gz HYDIPYWXEMSNKZ-NSHDSACASA-N 1 1 255.277 3.059 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2ccc(OC(F)(F)F)cc2)no1 ZINC001247963939 804857769 /nfs/dbraw/zinc/85/77/69/804857769.db2.gz YHBHWJNOBYYSES-JTQLQIEISA-N 1 1 299.252 3.211 20 30 CGEDMO C=CCOc1ccc(-c2noc([C@H](C)[NH+](C)C)n2)c(F)c1 ZINC001248267864 804905840 /nfs/dbraw/zinc/90/58/40/804905840.db2.gz KDZQUPUXQYJKIL-JTQLQIEISA-N 1 1 291.326 3.063 20 30 CGEDMO C=CCCCNC(=O)NCCC[N@H+](CC)C1CCCCC1 ZINC001248409697 804929785 /nfs/dbraw/zinc/92/97/85/804929785.db2.gz AZZRZPHPZAGGRN-UHFFFAOYSA-N 1 1 295.471 3.297 20 30 CGEDMO C[N@H+](C/C=C/c1ccccc1)Cc1cncc(C#N)c1 ZINC001144083226 804933743 /nfs/dbraw/zinc/93/37/43/804933743.db2.gz CPKOZJLLAXBRHO-VMPITWQZSA-N 1 1 263.344 3.098 20 30 CGEDMO C[N@@H+](C/C=C/c1ccccc1)Cc1cncc(C#N)c1 ZINC001144083226 804933752 /nfs/dbraw/zinc/93/37/52/804933752.db2.gz CPKOZJLLAXBRHO-VMPITWQZSA-N 1 1 263.344 3.098 20 30 CGEDMO C#Cc1cccc(N(CC)C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)c1 ZINC001144135426 804942187 /nfs/dbraw/zinc/94/21/87/804942187.db2.gz RTRUVIGHIFEKJL-AEFFLSMTSA-N 1 1 296.414 3.038 20 30 CGEDMO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C#N)CC2)c1 ZINC001144488836 804994763 /nfs/dbraw/zinc/99/47/63/804994763.db2.gz VUTBIHSJWFTPMT-LBPRGKRZSA-N 1 1 278.783 3.474 20 30 CGEDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H](C#N)CC2)c1 ZINC001144488836 804994765 /nfs/dbraw/zinc/99/47/65/804994765.db2.gz VUTBIHSJWFTPMT-LBPRGKRZSA-N 1 1 278.783 3.474 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(Cl)c2OC)C1 ZINC001248799526 804994942 /nfs/dbraw/zinc/99/49/42/804994942.db2.gz HRDCHQCSYAZEBY-GFCCVEGCSA-N 1 1 293.794 3.202 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(OC)c(Cl)c2OC)C1 ZINC001248799526 804994945 /nfs/dbraw/zinc/99/49/45/804994945.db2.gz HRDCHQCSYAZEBY-GFCCVEGCSA-N 1 1 293.794 3.202 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H]2C(C)(C)OC)cc1 ZINC001144576970 805007905 /nfs/dbraw/zinc/00/79/05/805007905.db2.gz YRQRNOPNRGLVQV-INIZCTEOSA-N 1 1 257.377 3.057 20 30 CGEDMO C#Cc1ccc(CN(C)CC[N@@H+](C)Cc2ccccc2)cc1 ZINC001144578742 805009515 /nfs/dbraw/zinc/00/95/15/805009515.db2.gz LWSMCVCQYMQGJQ-UHFFFAOYSA-N 1 1 292.426 3.232 20 30 CGEDMO C#Cc1ccc(C[N@@H+](C)CCN(C)Cc2ccccc2)cc1 ZINC001144578742 805009523 /nfs/dbraw/zinc/00/95/23/805009523.db2.gz LWSMCVCQYMQGJQ-UHFFFAOYSA-N 1 1 292.426 3.232 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)CCN(C)Cc2ccccc2)cc1 ZINC001144578742 805009534 /nfs/dbraw/zinc/00/95/34/805009534.db2.gz LWSMCVCQYMQGJQ-UHFFFAOYSA-N 1 1 292.426 3.232 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC[C@H](CC(=O)OCC)[C@@H](C)C2)cc1 ZINC001144580495 805010694 /nfs/dbraw/zinc/01/06/94/805010694.db2.gz DQAMDZZTNQCMDC-MAUKXSAKSA-N 1 1 299.414 3.079 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC[C@@H](Oc3ccncc3)C2)cc1 ZINC001144581288 805011569 /nfs/dbraw/zinc/01/15/69/805011569.db2.gz OODBURNJVSXZGG-LJQANCHMSA-N 1 1 292.382 3.106 20 30 CGEDMO C=CCCC(=O)N1CC2(C1)CC[N@H+](C[C@H](C)CC(C)C)C2 ZINC001147183074 805114749 /nfs/dbraw/zinc/11/47/49/805114749.db2.gz ZVJPDCXBFKGTFD-MRXNPFEDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)CCCC(C)(C)C)C2)C1 ZINC001147261300 805117593 /nfs/dbraw/zinc/11/75/93/805117593.db2.gz VUISVNNQGYLSFH-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO CC[N@H+](CCC#N)Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249244652 805120472 /nfs/dbraw/zinc/12/04/72/805120472.db2.gz KWMKOEAFXNDYTF-UHFFFAOYSA-N 1 1 286.375 3.312 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249244652 805120474 /nfs/dbraw/zinc/12/04/74/805120474.db2.gz KWMKOEAFXNDYTF-UHFFFAOYSA-N 1 1 286.375 3.312 20 30 CGEDMO C[N@@H+](CCc1ccccn1)Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249426358 805147105 /nfs/dbraw/zinc/14/71/05/805147105.db2.gz NECPIYOMVUCWQM-UHFFFAOYSA-N 1 1 290.370 3.109 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc2c1CCC2 ZINC001249458884 805153402 /nfs/dbraw/zinc/15/34/02/805153402.db2.gz UXTIIPLESRRCPB-FFGGFLGDSA-N 1 1 266.388 3.442 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@@H+](CC=C(C)C)C2 ZINC001148124361 805164806 /nfs/dbraw/zinc/16/48/06/805164806.db2.gz BCMUDBUBYARXGG-INIZCTEOSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C)CC(C)C)C2)C1 ZINC001148496421 805189220 /nfs/dbraw/zinc/18/92/20/805189220.db2.gz MLGJFECUPMNQDN-INIZCTEOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)C[C@H](C)C(C)(C)C)C2)C1 ZINC001148679316 805203438 /nfs/dbraw/zinc/20/34/38/805203438.db2.gz YEGNEQLAIDKMNG-HNNXBMFYSA-N 1 1 292.467 3.169 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)c1F ZINC001249681575 805209497 /nfs/dbraw/zinc/20/94/97/805209497.db2.gz WWESHDYZPNJFIU-OCCSQVGLSA-N 1 1 258.340 3.319 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)c1ccccc1 ZINC001151654161 805305439 /nfs/dbraw/zinc/30/54/39/805305439.db2.gz HFHPNHSJGZQLDX-OAHLLOKOSA-N 1 1 274.408 3.093 20 30 CGEDMO C=CCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccccc1C ZINC001152313358 805343714 /nfs/dbraw/zinc/34/37/14/805343714.db2.gz JDJICGNLCGXEBC-MRXNPFEDSA-N 1 1 288.435 3.288 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)CCC(F)(F)F ZINC001152584759 805355830 /nfs/dbraw/zinc/35/58/30/805355830.db2.gz AWJXEYBGSSVSFR-GFCCVEGCSA-N 1 1 294.361 3.122 20 30 CGEDMO C#CCCCCC(=O)NC[C@@H](C)[N@H+](CC)CC(CC)CC ZINC001152841692 805372087 /nfs/dbraw/zinc/37/20/87/805372087.db2.gz IVXIZTOYFUXJSL-MRXNPFEDSA-N 1 1 294.483 3.443 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)C1CC(C)(C)C1 ZINC001153127076 805385222 /nfs/dbraw/zinc/38/52/22/805385222.db2.gz YAJOEKRBAUTYJH-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO CC[N@@H+](CCC1CCCC1)[C@H](C)CNC(=O)C#CC(C)C ZINC001153214173 805386612 /nfs/dbraw/zinc/38/66/12/805386612.db2.gz KCZNJFNRMJLRTB-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc2occc2c1 ZINC001153521486 805401969 /nfs/dbraw/zinc/40/19/69/805401969.db2.gz CVOSMHYWTHGXKT-CYBMUJFWSA-N 1 1 286.375 3.059 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H](C)[N@@H+](CC)CC1CC(C)C1 ZINC001153608690 805407317 /nfs/dbraw/zinc/40/73/17/805407317.db2.gz MLWQBJURKCXRTD-HWOWSKLDSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H](C)[N@@H+](CC)CCC(F)(F)F ZINC001153625621 805407957 /nfs/dbraw/zinc/40/79/57/805407957.db2.gz AOPIXXWMFJJMDY-GFCCVEGCSA-N 1 1 294.361 3.122 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)CCc1ccsc1 ZINC001153824085 805416262 /nfs/dbraw/zinc/41/62/62/805416262.db2.gz JZLWEGKTLIYQKF-CQSZACIVSA-N 1 1 294.464 3.083 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)C1CCC1 ZINC001154505529 805460170 /nfs/dbraw/zinc/46/01/70/805460170.db2.gz QNRZWAMNZVBGEN-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1cc(F)ccc1C ZINC001154519158 805462099 /nfs/dbraw/zinc/46/20/99/805462099.db2.gz DCQQOMDZWNSAOO-CQSZACIVSA-N 1 1 292.398 3.150 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(C)cc2OCC)C1 ZINC001250179874 805466667 /nfs/dbraw/zinc/46/66/67/805466667.db2.gz JGQFIUIXKZRGAP-HNNXBMFYSA-N 1 1 257.377 3.239 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)CC(=C)C ZINC001154742986 805481876 /nfs/dbraw/zinc/48/18/76/805481876.db2.gz QLUGXIODOCPWBL-JKSUJKDBSA-N 1 1 280.456 3.382 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C=C)CC ZINC001154756505 805483005 /nfs/dbraw/zinc/48/30/05/805483005.db2.gz BCUOUDFBLBZQIL-HZPDHXFCSA-N 1 1 280.456 3.382 20 30 CGEDMO C=CCCC1(C(=O)NC[C@@H](C)[N@H+](CC)C[C@H](F)CC)CC1 ZINC001155037491 805527594 /nfs/dbraw/zinc/52/75/94/805527594.db2.gz SDGWMLXEVLFNDM-HUUCEWRRSA-N 1 1 298.446 3.308 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)C(F)F ZINC001155127078 805542235 /nfs/dbraw/zinc/54/22/35/805542235.db2.gz SCTMIONEXBJNLH-GFCCVEGCSA-N 1 1 290.398 3.071 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001155149257 805545414 /nfs/dbraw/zinc/54/54/14/805545414.db2.gz GYKGHVOPUMITDH-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO Cc1cccc(O[C@@H]2CCC[N@H+](C3CCC(C#N)CC3)C2)n1 ZINC001256971681 807020156 /nfs/dbraw/zinc/02/01/56/807020156.db2.gz XZLGFSHYVXTDNL-OFLPRAFFSA-N 1 1 299.418 3.316 20 30 CGEDMO C[C@H]1C[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)CCO1 ZINC001257016751 807027665 /nfs/dbraw/zinc/02/76/65/807027665.db2.gz IECHMUNNDLYJJL-NNGSBXSVSA-N 1 1 284.403 3.305 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001257140780 807054851 /nfs/dbraw/zinc/05/48/51/807054851.db2.gz WQLGMVHMSORFDA-UONOGXRCSA-N 1 1 282.428 3.282 20 30 CGEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H](CC)CCC)C2 ZINC001257260052 807076492 /nfs/dbraw/zinc/07/64/92/807076492.db2.gz AOGHBACQGHTASR-IXDOHACOSA-N 1 1 281.440 3.391 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@@H](c3ccncn3)C2)cc1C#N ZINC001167101348 807150353 /nfs/dbraw/zinc/15/03/53/807150353.db2.gz VVLDSQFFDXEXAF-MRXNPFEDSA-N 1 1 292.386 3.036 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1c1ccc(NCc2cccnn2)cc1 ZINC001167334703 807183882 /nfs/dbraw/zinc/18/38/82/807183882.db2.gz RTGLACLYFMSGCR-GOSISDBHSA-N 1 1 294.402 3.412 20 30 CGEDMO C=CC[N@H+](C)C1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001257759694 807219823 /nfs/dbraw/zinc/21/98/23/807219823.db2.gz FLTVSBBTIRPJJR-UHFFFAOYSA-N 1 1 294.439 3.284 20 30 CGEDMO CC(C)Nc1cc[nH+]c(N[C@@H](C)c2cccc(C#N)c2)n1 ZINC001167708251 807231313 /nfs/dbraw/zinc/23/13/13/807231313.db2.gz BWPROOVMSMFILQ-LBPRGKRZSA-N 1 1 281.363 3.342 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCC[C@@H](F)C(=O)C3)C[C@H](C1)C2 ZINC001257891717 807241513 /nfs/dbraw/zinc/24/15/13/807241513.db2.gz NHGREGGQNVRMMD-IZGVIRRGSA-N 1 1 265.372 3.124 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+](C)Cc3ncccn3)C[C@H](C1)C2 ZINC001257891107 807241539 /nfs/dbraw/zinc/24/15/39/807241539.db2.gz DMSLKCJIDSKPEN-YIONKMFJSA-N 1 1 257.381 3.043 20 30 CGEDMO CCCCCCC[C@H](C)[NH2+]CC1CCN(C2COC2)CC1 ZINC001258043199 807274526 /nfs/dbraw/zinc/27/45/26/807274526.db2.gz LRQYBAWLQZNDAP-INIZCTEOSA-N 1 1 296.499 3.436 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CCOC[C@@H]1COC ZINC001258049737 807276045 /nfs/dbraw/zinc/27/60/45/807276045.db2.gz NYKWUTZJAJJFPY-GJZGRUSLSA-N 1 1 257.418 3.083 20 30 CGEDMO N#Cc1ccc(O[C@H]2CCC[N@H+]([C@H]3C[C@H]4C[C@H]4C3)C2)cc1 ZINC001167947881 807279508 /nfs/dbraw/zinc/27/95/08/807279508.db2.gz IWIOFYJSMABZBO-LHHMISFZSA-N 1 1 282.387 3.200 20 30 CGEDMO N#Cc1ccc(O[C@@H]2CCC[N@H+]([C@@H]3C[C@H]4C[C@H]4C3)C2)cc1 ZINC001167947879 807280361 /nfs/dbraw/zinc/28/03/61/807280361.db2.gz IWIOFYJSMABZBO-KYHPRHEASA-N 1 1 282.387 3.200 20 30 CGEDMO C=CC[C@H]([NH2+][C@@H](C)C[C@H](C)CC(C)C)C(=O)OC ZINC001258057517 807280961 /nfs/dbraw/zinc/28/09/61/807280961.db2.gz SDWTWPAVYMITKH-RDBSUJKOSA-N 1 1 255.402 3.155 20 30 CGEDMO C=CC[C@@H]([NH2+][C@H](C)C[C@@H](C)CC(C)C)C(=O)OC ZINC001258067386 807286735 /nfs/dbraw/zinc/28/67/35/807286735.db2.gz SDWTWPAVYMITKH-BFHYXJOUSA-N 1 1 255.402 3.155 20 30 CGEDMO C=CCCCC[N@H+](C)[C@@H](C)CCCC(=O)OCC ZINC001258129149 807317786 /nfs/dbraw/zinc/31/77/86/807317786.db2.gz UVQFNGFJVQJQIF-AWEZNQCLSA-N 1 1 255.402 3.396 20 30 CGEDMO C=CCOC(=O)[C@H](CC(C)C)[NH2+]C1CCC(C)CC1 ZINC001168200826 807346305 /nfs/dbraw/zinc/34/63/05/807346305.db2.gz KBPNIRPXOONCGH-NRXISQOPSA-N 1 1 267.413 3.299 20 30 CGEDMO C[C@H](Cc1ccco1)[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001258186567 807351518 /nfs/dbraw/zinc/35/15/18/807351518.db2.gz PCUXDZANOJUPOU-CYBMUJFWSA-N 1 1 266.344 3.141 20 30 CGEDMO CCCCCCCCC[C@@H](C)[N@H+]1CCC[C@H]1C(N)=O ZINC001258227807 807376621 /nfs/dbraw/zinc/37/66/21/807376621.db2.gz BGEIGSUASJXQEE-CABCVRRESA-N 1 1 268.445 3.465 20 30 CGEDMO CCCCCCCCC[C@H](C)[N@H+]1CCCNC(=O)C1 ZINC001258229991 807378074 /nfs/dbraw/zinc/37/80/74/807378074.db2.gz WWNGREJSQYLNAC-HNNXBMFYSA-N 1 1 268.445 3.338 20 30 CGEDMO CCCCCCCCC[C@@H](C)[NH2+]CCN1CCN(C)CC1 ZINC001258230588 807378632 /nfs/dbraw/zinc/37/86/32/807378632.db2.gz YKWBKSOXZPCJIF-GOSISDBHSA-N 1 1 297.531 3.353 20 30 CGEDMO CC(C)(C)[C@@H]1CC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC001168402995 807405859 /nfs/dbraw/zinc/40/58/59/807405859.db2.gz MSNBCBBJFVVHKE-MRXNPFEDSA-N 1 1 256.393 3.469 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@H]2CCc3cc(F)ccc3C2)C1 ZINC001168440574 807415667 /nfs/dbraw/zinc/41/56/67/807415667.db2.gz JOWRSEWQAVPYSK-DYVFJYSZSA-N 1 1 257.352 3.028 20 30 CGEDMO COc1ccc(CC[C@@H](C)[N@H+]2CCC[C@@H](C#N)C2)cc1 ZINC001258408712 807442663 /nfs/dbraw/zinc/44/26/63/807442663.db2.gz LSHBMCWXCAXVBE-ZBFHGGJFSA-N 1 1 272.392 3.252 20 30 CGEDMO CCOC(=O)CC[C@H](C)[N@H+](CCC#N)Cc1ccccc1 ZINC001258485415 807476459 /nfs/dbraw/zinc/47/64/59/807476459.db2.gz DVBKCNZDIUAGPJ-HNNXBMFYSA-N 1 1 288.391 3.134 20 30 CGEDMO CCOC(=O)CC[C@H](C)[N@@H+](CCC#N)Cc1ccccc1 ZINC001258485415 807476462 /nfs/dbraw/zinc/47/64/62/807476462.db2.gz DVBKCNZDIUAGPJ-HNNXBMFYSA-N 1 1 288.391 3.134 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168741590 807501012 /nfs/dbraw/zinc/50/10/12/807501012.db2.gz ZTVZXTFFFOSIIU-TZMCWYRMSA-N 1 1 259.780 3.152 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+]([C@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168742867 807502515 /nfs/dbraw/zinc/50/25/15/807502515.db2.gz ICOUUKQQFNSHEH-SWLSCSKDSA-N 1 1 260.768 3.043 20 30 CGEDMO C[C@]1(C#N)CC[N@H+]([C@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168742867 807502517 /nfs/dbraw/zinc/50/25/17/807502517.db2.gz ICOUUKQQFNSHEH-SWLSCSKDSA-N 1 1 260.768 3.043 20 30 CGEDMO C=CC[N@H+](C1CCC(C)(C(=O)OC)CC1)C(C)(C)C ZINC001168793560 807514996 /nfs/dbraw/zinc/51/49/96/807514996.db2.gz AJAUSBIMPSRCAE-UHFFFAOYSA-N 1 1 267.413 3.395 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001258735054 807580840 /nfs/dbraw/zinc/58/08/40/807580840.db2.gz NIJKAEGCHLJVTJ-ZIAGYGMSSA-N 1 1 267.413 3.395 20 30 CGEDMO C=CC[C@@](C)([NH2+][C@@H](CC)C[C@H](C)CC)C(=O)OC ZINC001258786560 807611793 /nfs/dbraw/zinc/61/17/93/807611793.db2.gz AIVOUVCHVGEDMK-VNHYZAJKSA-N 1 1 255.402 3.299 20 30 CGEDMO C#CC[N@H+](Cc1cc(C)ccc1OC(F)F)CC1CC1 ZINC001261224221 807716801 /nfs/dbraw/zinc/71/68/01/807716801.db2.gz XFRDCTPPCPTISY-UHFFFAOYSA-N 1 1 279.330 3.442 20 30 CGEDMO C[N@@H+](Cc1cc2ccccc2[nH]1)[C@H]1CC[C@@H](C#N)C1 ZINC001261237207 807718495 /nfs/dbraw/zinc/71/84/95/807718495.db2.gz KVMDOJDZDGEUSF-DOMZBBRYSA-N 1 1 253.349 3.292 20 30 CGEDMO C=CCOC[C@H]1CCC[C@@]12C[N@@H+]([C@H]1CC[C@H](C)C1)CCO2 ZINC001170145012 807775265 /nfs/dbraw/zinc/77/52/65/807775265.db2.gz REFUFRLTJFANFJ-XWTMOSNGSA-N 1 1 293.451 3.249 20 30 CGEDMO C[N@H+]1CCCC[C@H]1c1ccc(NCC(C)(C)S)nc1 ZINC001170305333 807823344 /nfs/dbraw/zinc/82/33/44/807823344.db2.gz WSFSRRWPXICLMD-ZDUSSCGKSA-N 1 1 279.453 3.359 20 30 CGEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCOCC23CC3)CC1 ZINC001170394791 807833769 /nfs/dbraw/zinc/83/37/69/807833769.db2.gz AOYGILPVMLQQDV-UHFFFAOYSA-N 1 1 296.414 3.255 20 30 CGEDMO C#Cc1cccnc1N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001262690984 807895991 /nfs/dbraw/zinc/89/59/91/807895991.db2.gz QCJUYRGOQKCAKN-ZBFHGGJFSA-N 1 1 283.419 3.128 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170763998 807901171 /nfs/dbraw/zinc/90/11/71/807901171.db2.gz DOHUPPGDHBVNKV-MUJYYYPQSA-N 1 1 254.377 3.425 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC001170814584 807914279 /nfs/dbraw/zinc/91/42/79/807914279.db2.gz VBRPWOOBENJDIG-MRXNPFEDSA-N 1 1 294.439 3.476 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+]([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170943095 807939892 /nfs/dbraw/zinc/93/98/92/807939892.db2.gz KSLHHNGZDSKPIB-CJNGLKHVSA-N 1 1 274.795 3.433 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+]([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170943095 807939897 /nfs/dbraw/zinc/93/98/97/807939897.db2.gz KSLHHNGZDSKPIB-CJNGLKHVSA-N 1 1 274.795 3.433 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@@H]2CCc3cccc(F)c3C2)C1 ZINC001171002214 807956691 /nfs/dbraw/zinc/95/66/91/807956691.db2.gz SUFIRTHIUBIFIB-DZGCQCFKSA-N 1 1 257.352 3.028 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001171224444 808011850 /nfs/dbraw/zinc/01/18/50/808011850.db2.gz ROWPNDPIBGBIRR-ZNMIVQPWSA-N 1 1 256.393 3.467 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1C[C@@H](C)CC12CC2 ZINC001171230045 808014514 /nfs/dbraw/zinc/01/45/14/808014514.db2.gz RVDYDOJRZHPKRQ-UONOGXRCSA-N 1 1 254.377 3.364 20 30 CGEDMO CC(C)[N@@H+]([C@H](C)Cc1cccc(C#N)c1)C1CCN(C)CC1 ZINC001171231048 808015034 /nfs/dbraw/zinc/01/50/34/808015034.db2.gz HBJDETJXRAKHGE-MRXNPFEDSA-N 1 1 299.462 3.294 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)C2CC2)[C@H]1CC ZINC001264071748 808034027 /nfs/dbraw/zinc/03/40/27/808034027.db2.gz MSDYMHABWREHSJ-BHYGNILZSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)C2CC2)CC(C)(C)C1 ZINC001264197306 808047274 /nfs/dbraw/zinc/04/72/74/808047274.db2.gz ZCVJQWDKPOINKB-HOCLYGCPSA-N 1 1 292.467 3.215 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@H]2CCc3c(F)cccc3C2)C1 ZINC001171436518 808057756 /nfs/dbraw/zinc/05/77/56/808057756.db2.gz FWMYSYWNMNOQRZ-ZFWWWQNUSA-N 1 1 257.352 3.028 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)CC(C)C ZINC001264376435 808062773 /nfs/dbraw/zinc/06/27/73/808062773.db2.gz JBQZHHULBBZCGR-OAHLLOKOSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CC(C)C)C(C)(C)[C@H]21 ZINC001264584477 808078624 /nfs/dbraw/zinc/07/86/24/808078624.db2.gz WKEDRHGSCONKNP-PVAVHDDUSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001171522925 808085958 /nfs/dbraw/zinc/08/59/58/808085958.db2.gz MSRVMDZTFCERJK-KGLIPLIRSA-N 1 1 267.413 3.252 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C(CC)CC)[C@H]1C ZINC001264709514 808087801 /nfs/dbraw/zinc/08/78/01/808087801.db2.gz XPGXLQOEFSNICV-LZWOXQAQSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCCN1C(=O)CC1CC1 ZINC001264736151 808089289 /nfs/dbraw/zinc/08/92/89/808089289.db2.gz GBWTWXPUECGZMJ-WBVHZDCISA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](F)C(C)C ZINC001264742815 808089670 /nfs/dbraw/zinc/08/96/70/808089670.db2.gz IPKPZUFCYHOLFR-HOTGVXAUSA-N 1 1 298.446 3.260 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)CCC)CC(C)(C)C1 ZINC001264749553 808091025 /nfs/dbraw/zinc/09/10/25/808091025.db2.gz FYZFYGDLQNLUPM-JKSUJKDBSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C/C=C(/C)C=C)CC(C)(C)C1 ZINC001264754002 808093202 /nfs/dbraw/zinc/09/32/02/808093202.db2.gz UFIKTRJMJIYZLZ-MVMZHWFQSA-N 1 1 290.451 3.302 20 30 CGEDMO C=CCC[N@@H+](C)CCCNC(=O)c1cccc(C)c1Cl ZINC001265049709 808106832 /nfs/dbraw/zinc/10/68/32/808106832.db2.gz RDECPMIENCBUIY-UHFFFAOYSA-N 1 1 294.826 3.276 20 30 CGEDMO C=CCC[N@@H+](C)CCCNC(=O)c1ccc(F)cc1Cl ZINC001265064825 808107504 /nfs/dbraw/zinc/10/75/04/808107504.db2.gz HMVPVGWAUPHZNE-UHFFFAOYSA-N 1 1 298.789 3.107 20 30 CGEDMO CC[N@@H+]1[C@H](C)CN(Cc2cc(Cl)cc(C#N)c2)C[C@@H]1C ZINC001171648558 808112848 /nfs/dbraw/zinc/11/28/48/808112848.db2.gz RGFFHKVEKDMNTQ-BETUJISGSA-N 1 1 291.826 3.126 20 30 CGEDMO C=CC[C@@](C)([NH2+][C@H](C)CCc1ccc(C)cc1)C(=O)OC ZINC001171665729 808116985 /nfs/dbraw/zinc/11/69/85/808116985.db2.gz OZFKIJYUGUWSLV-CRAIPNDOSA-N 1 1 289.419 3.414 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H](NC(=O)c2cc[nH]c2)C1 ZINC001265214843 808120941 /nfs/dbraw/zinc/12/09/41/808120941.db2.gz QDZMFPPBFFPDLZ-INIZCTEOSA-N 1 1 291.439 3.179 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CCC[N@@H+](C/C=C/Cl)C2)CCC1 ZINC001265224919 808122672 /nfs/dbraw/zinc/12/26/72/808122672.db2.gz NJSCDMQPKMADOA-AZWQULSGSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CCC[N@H+](C/C=C/Cl)C2)CCC1 ZINC001265224919 808122676 /nfs/dbraw/zinc/12/26/76/808122676.db2.gz NJSCDMQPKMADOA-AZWQULSGSA-N 1 1 296.842 3.066 20 30 CGEDMO CCCCCCCCCC[N@H+]1C[C@H](C)O[C@H](C(=O)OC)C1 ZINC001171714770 808125321 /nfs/dbraw/zinc/12/53/21/808125321.db2.gz USRNRXJYYBOEGQ-HOTGVXAUSA-N 1 1 299.455 3.389 20 30 CGEDMO CCC(C#N)(CC)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171739357 808129027 /nfs/dbraw/zinc/12/90/27/808129027.db2.gz CBMMRMSPXSBDSB-WBVHZDCISA-N 1 1 285.435 3.321 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]2C[N@@H+](CC(C)C)CC[C@H]21 ZINC001265523088 808150091 /nfs/dbraw/zinc/15/00/91/808150091.db2.gz GYNNFWUWMRUASF-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)CCC)C1 ZINC001265577085 808157470 /nfs/dbraw/zinc/15/74/70/808157470.db2.gz BOSVLBHUBCFGOA-CVEARBPZSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)CC=C)C1 ZINC001265592819 808158094 /nfs/dbraw/zinc/15/80/94/808158094.db2.gz KJUCAAIRFNTCHC-MRXNPFEDSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@](C)(F)CCCC)C1 ZINC001265587071 808159050 /nfs/dbraw/zinc/15/90/50/808159050.db2.gz VEFJNOXPKAEUCS-WBVHZDCISA-N 1 1 298.446 3.309 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)CC ZINC001265651700 808164516 /nfs/dbraw/zinc/16/45/16/808164516.db2.gz NXRLALCNDKXYPK-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)CC ZINC001265651699 808164924 /nfs/dbraw/zinc/16/49/24/808164924.db2.gz NXRLALCNDKXYPK-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC ZINC001265693235 808169073 /nfs/dbraw/zinc/16/90/73/808169073.db2.gz GOOACDOTQKGXAP-CVEARBPZSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CCCCC(=O)N1CCCC[C@H]1[C@H]1CCC[N@@H+]1CC ZINC001265695918 808169331 /nfs/dbraw/zinc/16/93/31/808169331.db2.gz CRZJDBZXFXQUAK-CVEARBPZSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccoc2)C1 ZINC001265696980 808170671 /nfs/dbraw/zinc/17/06/71/808170671.db2.gz NAGOLQZYCKVREO-HUUCEWRRSA-N 1 1 290.407 3.076 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172175822 808190247 /nfs/dbraw/zinc/19/02/47/808190247.db2.gz DKLHJCIHFMWLMJ-LSDHHAIUSA-N 1 1 266.429 3.042 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)c2ccco2)C1 ZINC001266090387 808209063 /nfs/dbraw/zinc/20/90/63/808209063.db2.gz JQBMUQFUDBIBEQ-GJZGRUSLSA-N 1 1 290.407 3.171 20 30 CGEDMO C=C/C(C)=C/CC(=O)N1CCC[C@H]([N@@H+](C)CC(=C)C)C1 ZINC001266107986 808213928 /nfs/dbraw/zinc/21/39/28/808213928.db2.gz NSAJOVBFYUWCET-LRQZKABGSA-N 1 1 276.424 3.008 20 30 CGEDMO Cc1noc([C@@H]2CCC[N@@H+]2[C@@H](C)Cc2ccc(C#N)cc2)n1 ZINC001172311769 808222749 /nfs/dbraw/zinc/22/27/49/808222749.db2.gz XRPCYMBOUIFJRB-LRDDRELGSA-N 1 1 296.374 3.018 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@](C)(CF)C1 ZINC001172316280 808226704 /nfs/dbraw/zinc/22/67/04/808226704.db2.gz QZNQOEHFCFMDLR-XJKSGUPXSA-N 1 1 260.356 3.171 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H]1c1ncccn1 ZINC001172317061 808226781 /nfs/dbraw/zinc/22/67/81/808226781.db2.gz PFPWSIDSYZCFTC-PBHICJAKSA-N 1 1 292.386 3.116 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)/C=C(\C)C2CC2)C1 ZINC001266205775 808227336 /nfs/dbraw/zinc/22/73/36/808227336.db2.gz QJKFIMACYPZDSP-YTLDMCMYSA-N 1 1 290.451 3.278 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001172318364 808227907 /nfs/dbraw/zinc/22/79/07/808227907.db2.gz FFNDWXWVAMLUMU-IUODEOHRSA-N 1 1 276.330 3.220 20 30 CGEDMO C=C(C)CCC(=O)NCCC[C@H]1CCC[N@H+]1C/C=C\Cl ZINC001266219134 808228364 /nfs/dbraw/zinc/22/83/64/808228364.db2.gz DKGGIPIMMGQCKF-ANOSYLROSA-N 1 1 298.858 3.456 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H]1c1cnccn1 ZINC001172318602 808228589 /nfs/dbraw/zinc/22/85/89/808228589.db2.gz HMQZOEGOTCZDNQ-RDTXWAMCSA-N 1 1 292.386 3.116 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C#N)CC1 ZINC001172319560 808229171 /nfs/dbraw/zinc/22/91/71/808229171.db2.gz OSOVOJDFFQWPLV-GDBMZVCRSA-N 1 1 267.376 3.115 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C(CC)(CC)CC)C1 ZINC001266242749 808232270 /nfs/dbraw/zinc/23/22/70/808232270.db2.gz GWFLLEGSORLCLZ-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCOC(=O)[C@@H]([NH2+][C@@H](C)CCO[C@H](C)CC)[C@@H](C)CC ZINC001172323832 808232932 /nfs/dbraw/zinc/23/29/32/808232932.db2.gz FANCVFBGWRIMOD-JONQDZQNSA-N 1 1 299.455 3.314 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001266334145 808243471 /nfs/dbraw/zinc/24/34/71/808243471.db2.gz ZJCZVZXMQIZAGU-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CCC[C@H](C(N)=O)C1 ZINC001172358443 808254020 /nfs/dbraw/zinc/25/40/20/808254020.db2.gz OZTDKQJSIWNMDT-GJZGRUSLSA-N 1 1 268.445 3.323 20 30 CGEDMO C=C(C)C[N@H+](CC)CCNC(=O)[C@]1(C)CCC[C@H]1CC ZINC001266398840 808256502 /nfs/dbraw/zinc/25/65/02/808256502.db2.gz FDPYYJGDSQHYKB-NVXWUHKLSA-N 1 1 280.456 3.217 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CCOC[C@H]1COC ZINC001172362370 808256788 /nfs/dbraw/zinc/25/67/88/808256788.db2.gz WQOXOUDZMQGHAC-HZPDHXFCSA-N 1 1 271.445 3.473 20 30 CGEDMO C=CCCC[N@H+](CC)CCNC(=O)C1(C)CCCCC1 ZINC001266413469 808259063 /nfs/dbraw/zinc/25/90/63/808259063.db2.gz OJCUECRWXMNBRP-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCN(C(=O)CC2CC2)C1 ZINC001266448543 808266713 /nfs/dbraw/zinc/26/67/13/808266713.db2.gz PXPGCWDQICCDNC-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC12CC2 ZINC001266483024 808273761 /nfs/dbraw/zinc/27/37/61/808273761.db2.gz MNGNWZSQHZWCCV-CVEARBPZSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)C(C)C ZINC001266491194 808276046 /nfs/dbraw/zinc/27/60/46/808276046.db2.gz GVXWIDKJSZYRPY-JONQDZQNSA-N 1 1 296.430 3.010 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)C(C)=C2CCCC2)C1 ZINC001266509865 808279300 /nfs/dbraw/zinc/27/93/00/808279300.db2.gz UPLDXSNEQQLIQD-INIZCTEOSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001266526733 808282286 /nfs/dbraw/zinc/28/22/86/808282286.db2.gz YXKQKRVSFRYAFN-INIZCTEOSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@H]1CC[N@H+](CCCC(C)C)C1 ZINC001266537518 808284456 /nfs/dbraw/zinc/28/44/56/808284456.db2.gz NRKHJFUJFHTLNY-MRXNPFEDSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@H]1CCCC[N@H+]1CC(=C)C ZINC001266853541 808322965 /nfs/dbraw/zinc/32/29/65/808322965.db2.gz NPXDNUCWUZWSLK-HZPDHXFCSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H]1CCCC[N@H+]1CC=C(C)C ZINC001266842716 808322988 /nfs/dbraw/zinc/32/29/88/808322988.db2.gz SVFTUZXNFDNZOE-MRXNPFEDSA-N 1 1 278.440 3.280 20 30 CGEDMO CC(C)COCC[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001172483181 808345649 /nfs/dbraw/zinc/34/56/49/808345649.db2.gz JDWWMYZPCWCDAN-OAHLLOKOSA-N 1 1 274.408 3.441 20 30 CGEDMO C[C@@H](CCCC#N)[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001172496719 808353547 /nfs/dbraw/zinc/35/35/47/808353547.db2.gz PHLWBSNBUFJEDN-INIZCTEOSA-N 1 1 289.467 3.409 20 30 CGEDMO C[C@@H](CCCC#N)N1CCC2(CCC[N@@H+]2CC2CC2)CC1 ZINC001172496719 808353553 /nfs/dbraw/zinc/35/35/53/808353553.db2.gz PHLWBSNBUFJEDN-INIZCTEOSA-N 1 1 289.467 3.409 20 30 CGEDMO C[C@@H](CCCC#N)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001172496719 808353561 /nfs/dbraw/zinc/35/35/61/808353561.db2.gz PHLWBSNBUFJEDN-INIZCTEOSA-N 1 1 289.467 3.409 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC001172498098 808354625 /nfs/dbraw/zinc/35/46/25/808354625.db2.gz ITENICSNKFCBNA-GDBMZVCRSA-N 1 1 258.365 3.142 20 30 CGEDMO CCCc1noc([C@H]2CCC[N@H+]([C@@H](C)CCCC#N)C2)n1 ZINC001172503276 808358251 /nfs/dbraw/zinc/35/82/51/808358251.db2.gz YLGYCEOIUNICGZ-KBPBESRZSA-N 1 1 290.411 3.284 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC001172505197 808359906 /nfs/dbraw/zinc/35/99/06/808359906.db2.gz KRPANOARTLLRHP-CJNGLKHVSA-N 1 1 276.355 3.361 20 30 CGEDMO CCCCCCCC[C@@H](CC)[N@H+]1CCO[C@H](CO)C1 ZINC001172506008 808362841 /nfs/dbraw/zinc/36/28/41/808362841.db2.gz ZBQMNFFTCUUJGU-CVEARBPZSA-N 1 1 271.445 3.209 20 30 CGEDMO CCCCCCC[C@@H](CCC)[N@H+]1CCC[C@H]1C(N)=O ZINC001172508738 808363479 /nfs/dbraw/zinc/36/34/79/808363479.db2.gz NLGPJQGXYHATLM-CABCVRRESA-N 1 1 268.445 3.465 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCCN(Cc2ccccc2)CC1 ZINC001172507403 808364118 /nfs/dbraw/zinc/36/41/18/808364118.db2.gz STFSHTBEDPMSST-QGZVFWFLSA-N 1 1 285.435 3.277 20 30 CGEDMO C[C@H](CCCC#N)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001172507403 808364127 /nfs/dbraw/zinc/36/41/27/808364127.db2.gz STFSHTBEDPMSST-QGZVFWFLSA-N 1 1 285.435 3.277 20 30 CGEDMO C[C@H](CCCC#N)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001172507403 808364136 /nfs/dbraw/zinc/36/41/36/808364136.db2.gz STFSHTBEDPMSST-QGZVFWFLSA-N 1 1 285.435 3.277 20 30 CGEDMO CCCCCCC[C@@H](CCC)[N@H+]1CCCNC(=O)C1 ZINC001172508937 808366906 /nfs/dbraw/zinc/36/69/06/808366906.db2.gz REDVCPFLROWBGK-OAHLLOKOSA-N 1 1 268.445 3.338 20 30 CGEDMO C=CC[C@H]([NH2+][C@H]1CCC[C@@H](c2ccccc2)C1)C(=O)OC ZINC001172541081 808373073 /nfs/dbraw/zinc/37/30/73/808373073.db2.gz SMAGDVHRMHIFTK-IKGGRYGDSA-N 1 1 287.403 3.420 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@](C)(C=C)CC ZINC001267175640 808374244 /nfs/dbraw/zinc/37/42/44/808374244.db2.gz XJFQEYCDOSAMPV-RDJZCZTQSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)c1ccoc1CC)C(C)C ZINC001267247697 808395398 /nfs/dbraw/zinc/39/53/98/808395398.db2.gz CWYOPNVMRDZZIC-UHFFFAOYSA-N 1 1 292.423 3.248 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@](C)(CC)CCCCC ZINC001267283673 808404566 /nfs/dbraw/zinc/40/45/66/808404566.db2.gz PQWVKKAIOOBFMB-FUHWJXTLSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1CC[N@H+](CC/C=C/CC)C1 ZINC001267298172 808406743 /nfs/dbraw/zinc/40/67/43/808406743.db2.gz KOWSOUVGEYYEFR-KXPUMZMLSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C(C)CC[N@@H+](CCC)CCNC(=O)c1ccccc1C ZINC001267309591 808409698 /nfs/dbraw/zinc/40/96/98/808409698.db2.gz PJPLROADDLTMGJ-UHFFFAOYSA-N 1 1 288.435 3.403 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](CCC)CC(C)C)C1 ZINC001267310041 808409976 /nfs/dbraw/zinc/40/99/76/808409976.db2.gz PXXQDVNYOVXAJM-IRXDYDNUSA-N 1 1 294.483 3.463 20 30 CGEDMO C#CC[N@H+](CCCNC(=O)CC1(C)CCCCC1)C(C)C ZINC001267504216 808435358 /nfs/dbraw/zinc/43/53/58/808435358.db2.gz MSEBEHVCLQPLKR-UHFFFAOYSA-N 1 1 292.467 3.197 20 30 CGEDMO CCCC[N@@H+](CCC#N)[C@@H]1CCC[C@@H](C(=O)OC)CC1 ZINC001172790621 808440008 /nfs/dbraw/zinc/44/00/08/808440008.db2.gz CMOZZRKTQGKRBU-HUUCEWRRSA-N 1 1 280.412 3.124 20 30 CGEDMO C=CC(C)(C)CC(=O)N(CCC)[C@@H]1CC[N@@H+](CC(=C)C)C1 ZINC001267542451 808443092 /nfs/dbraw/zinc/44/30/92/808443092.db2.gz WYXLKKBIVZXPCP-MRXNPFEDSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)CCC(=O)N(CCC)[C@@H]1CC[N@@H+](CC[C@H](C)F)C1 ZINC001267542519 808444411 /nfs/dbraw/zinc/44/44/11/808444411.db2.gz YIUGRODEJGAOSY-JKSUJKDBSA-N 1 1 298.446 3.404 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)C2CC=CC2)C1 ZINC001267580211 808451927 /nfs/dbraw/zinc/45/19/27/808451927.db2.gz SGXKAPCZUNVUIJ-CVEARBPZSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@]2(C)CC=CCC2)C1 ZINC001267582787 808453809 /nfs/dbraw/zinc/45/38/09/808453809.db2.gz LFRUSHPRBQCHIY-WMZOPIPTSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001267589057 808453854 /nfs/dbraw/zinc/45/38/54/808453854.db2.gz KIZFFBSAYKFNCT-GVDBMIGSSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C)cc2)C1 ZINC001267609993 808457045 /nfs/dbraw/zinc/45/70/45/808457045.db2.gz IBSSPVCPEFMYMZ-QGZVFWFLSA-N 1 1 286.419 3.042 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)C2CC3(CC3)C2)C1 ZINC001267616760 808459448 /nfs/dbraw/zinc/45/94/48/808459448.db2.gz APXCPTNTEMZWRH-GOEBONIOSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C[C@H](C)CC(C)C)C1 ZINC001267633999 808461933 /nfs/dbraw/zinc/46/19/33/808461933.db2.gz ZBPHFTKGAHMBLM-CVEARBPZSA-N 1 1 280.456 3.215 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)CC(C)(C)C)C1 ZINC001267637702 808462292 /nfs/dbraw/zinc/46/22/92/808462292.db2.gz XYHZLYGMTYTVEA-UHFFFAOYSA-N 1 1 268.445 3.193 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](CC)CCCC ZINC001267710371 808474703 /nfs/dbraw/zinc/47/47/03/808474703.db2.gz PSRRWSHZSKYTQP-ULQDDVLXSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](CC)CCCC ZINC001267710370 808474996 /nfs/dbraw/zinc/47/49/96/808474996.db2.gz PSRRWSHZSKYTQP-IKGGRYGDSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001267729104 808478010 /nfs/dbraw/zinc/47/80/10/808478010.db2.gz NIYWTGGLOKHQQT-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC(C[N@@H+](C)CC(C)C)CC1 ZINC001267739381 808480100 /nfs/dbraw/zinc/48/01/00/808480100.db2.gz CDWJMURHONZMOA-MRXNPFEDSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC)C1 ZINC001267748344 808483593 /nfs/dbraw/zinc/48/35/93/808483593.db2.gz WKLOSIBNRGZRFK-MRXNPFEDSA-N 1 1 286.419 3.019 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](N(C)C(=O)[C@H](F)CC)C1 ZINC001267770918 808488702 /nfs/dbraw/zinc/48/87/02/808488702.db2.gz VEMGWGSHZBJNJK-LSDHHAIUSA-N 1 1 286.435 3.238 20 30 CGEDMO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@H](C#N)C1 ZINC001173088964 808503830 /nfs/dbraw/zinc/50/38/30/808503830.db2.gz SEXOORJPNOBYNX-WCQYABFASA-N 1 1 298.308 3.362 20 30 CGEDMO C[C@@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@H](C#N)C1 ZINC001173088964 808503833 /nfs/dbraw/zinc/50/38/33/808503833.db2.gz SEXOORJPNOBYNX-WCQYABFASA-N 1 1 298.308 3.362 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H](NC(=O)C[C@H]2C=CCCC2)C1 ZINC001268201928 808555171 /nfs/dbraw/zinc/55/51/71/808555171.db2.gz HWWNKTKEDHVQJY-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N(C)CC[N@@H+](C)CC1CC(C)(C)C1 ZINC001268244751 808568272 /nfs/dbraw/zinc/56/82/72/808568272.db2.gz GYILTTURCXSMHB-HNNXBMFYSA-N 1 1 294.483 3.415 20 30 CGEDMO Cc1nsc(Nc2ccc3[nH]c(C)[nH+]c3c2)c1C#N ZINC001213070312 815218260 /nfs/dbraw/zinc/21/82/60/815218260.db2.gz JYNVMOHSMWHTCT-UHFFFAOYSA-N 1 1 269.333 3.252 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)C2(F)CCCC2)C1 ZINC001268331717 808577193 /nfs/dbraw/zinc/57/71/93/808577193.db2.gz DGSAFWRTYIDGQG-UHFFFAOYSA-N 1 1 284.419 3.040 20 30 CGEDMO C=CCCCCC[NH+]1CC(NC(=O)[C@H]2CCC[C@H]2CC)C1 ZINC001268447125 808587469 /nfs/dbraw/zinc/58/74/69/808587469.db2.gz PHPJVRYOMMXTSR-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H](C)C[NH2+]C/C(Cl)=C\Cl ZINC001268688024 808610303 /nfs/dbraw/zinc/61/03/03/808610303.db2.gz QSTCJHPRAWVBKP-VUBLIPMDSA-N 1 1 293.238 3.002 20 30 CGEDMO C=CCOC1CCC([N@H+]2CCC(=O)[C@H]3CCCC[C@H]32)CC1 ZINC001173319246 808610339 /nfs/dbraw/zinc/61/03/39/808610339.db2.gz BJXWCVIDNNJILP-SJJHQCBESA-N 1 1 291.435 3.334 20 30 CGEDMO C=CCOC1CCC([N@H+]2CC[C@@H]3CCCO[C@@H]3C2)CC1 ZINC001173321628 808611524 /nfs/dbraw/zinc/61/15/24/808611524.db2.gz NMJCOJGHFZSUER-ZGRYLRDCSA-N 1 1 279.424 3.001 20 30 CGEDMO N#CCC1CCC([N@H+]2CCC[C@@H]2CN2CCCC2)CC1 ZINC001173338251 808618868 /nfs/dbraw/zinc/61/88/68/808618868.db2.gz BWIZPNIFQYIKQE-OFLPRAFFSA-N 1 1 275.440 3.019 20 30 CGEDMO N#CCC1CCC([N@H+]2CCC[C@H]2c2cnccn2)CC1 ZINC001173339148 808619726 /nfs/dbraw/zinc/61/97/26/808619726.db2.gz MTXRJQDCABOKCS-XUJLQICISA-N 1 1 270.380 3.086 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)c1ccc(C)cc1F ZINC001268746630 808621019 /nfs/dbraw/zinc/62/10/19/808621019.db2.gz QXUWZPVQWRXWDU-AWEZNQCLSA-N 1 1 292.398 3.150 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)C1CC2(CCC2)C1 ZINC001268744299 808621225 /nfs/dbraw/zinc/62/12/25/808621225.db2.gz URQRSLVOJWMUIX-CABCVRRESA-N 1 1 292.467 3.358 20 30 CGEDMO Cc1cccnc1O[C@@H]1CC[N@H+](C2CCC(CC#N)CC2)C1 ZINC001173341479 808621658 /nfs/dbraw/zinc/62/16/58/808621658.db2.gz WTSSRSWXJJOJDD-OFLPRAFFSA-N 1 1 299.418 3.316 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)CC ZINC001268922904 808637106 /nfs/dbraw/zinc/63/71/06/808637106.db2.gz XZPQIMDZNMFCOX-PMPSAXMXSA-N 1 1 280.456 3.288 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC=CCC2)C1 ZINC001268996707 808641811 /nfs/dbraw/zinc/64/18/11/808641811.db2.gz RZWQDIKHJULDAR-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@H+](CC/C=C\CC)C1 ZINC001269056735 808644655 /nfs/dbraw/zinc/64/46/55/808644655.db2.gz JFLYGJVVYDWERW-KTYGHDLGSA-N 1 1 278.440 3.136 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C1Cc2cc(F)c(F)cc2C1 ZINC001173486958 808645298 /nfs/dbraw/zinc/64/52/98/808645298.db2.gz GWCNGUZWIUWHQI-OJNYZHBWSA-N 1 1 288.341 3.199 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@H+](CCCC(C)C)C1 ZINC001269069651 808645457 /nfs/dbraw/zinc/64/54/57/808645457.db2.gz ULGRIIBCUGCAJH-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001269156227 808651158 /nfs/dbraw/zinc/65/11/58/808651158.db2.gz SNSXLNDOWOJLHG-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C[N@@H+](CCCC(=O)c1cccnc1)C1CCC(C)(C#N)CC1 ZINC001173597730 808651512 /nfs/dbraw/zinc/65/15/12/808651512.db2.gz FSONCDVDEZDJNH-UHFFFAOYSA-N 1 1 299.418 3.449 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001269155849 808651656 /nfs/dbraw/zinc/65/16/56/808651656.db2.gz GBLKDUJFGMJOOZ-OAHLLOKOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C)s1 ZINC001269189121 808653410 /nfs/dbraw/zinc/65/34/10/808653410.db2.gz OMTYUOLNSOKKKS-GXTWGEPZSA-N 1 1 292.448 3.215 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H](CC)CCCC)C1 ZINC001269257156 808661140 /nfs/dbraw/zinc/66/11/40/808661140.db2.gz PCVONJLUAOVTLS-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C)c1cccs1 ZINC001269293337 808666116 /nfs/dbraw/zinc/66/61/16/808666116.db2.gz WXDKNSMQYPADAK-KGLIPLIRSA-N 1 1 292.448 3.008 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CC[N@@H+]2CC=C(C)C)CCCC1 ZINC001269355540 808673617 /nfs/dbraw/zinc/67/36/17/808673617.db2.gz GUMXVKNRHORQPS-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H](C)CC ZINC001269670956 808696025 /nfs/dbraw/zinc/69/60/25/808696025.db2.gz PMWSKPKLFFLDFR-YESZJQIVSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)C)C2)C1 ZINC001269700445 808700006 /nfs/dbraw/zinc/70/00/06/808700006.db2.gz XWOUIYYJERJMFW-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@]2(CC[N@@H+](C/C=C\Cl)C2)C1 ZINC001269732242 808702429 /nfs/dbraw/zinc/70/24/29/808702429.db2.gz PYRPDCWZIMFEOL-XOYTVWKISA-N 1 1 296.842 3.020 20 30 CGEDMO C=CCCC[NH+]1CC(N(C)C(=O)c2coc3ccccc32)C1 ZINC001269898917 808708853 /nfs/dbraw/zinc/70/88/53/808708853.db2.gz DYKAYNVKPKWVPW-UHFFFAOYSA-N 1 1 298.386 3.155 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)CCC2CC2)C1 ZINC001270951446 808756436 /nfs/dbraw/zinc/75/64/36/808756436.db2.gz ZSZGPWHTJWGMLF-GOSISDBHSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)CC1CCCCC1 ZINC001271958196 808791042 /nfs/dbraw/zinc/79/10/42/808791042.db2.gz QQCMFHFCQIGEBU-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCC1CC1 ZINC001272014388 808791993 /nfs/dbraw/zinc/79/19/93/808791993.db2.gz AYMGAQIXMPIIEZ-IAGOWNOFSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCC1CC1 ZINC001272014390 808792093 /nfs/dbraw/zinc/79/20/93/808792093.db2.gz AYMGAQIXMPIIEZ-SJORKVTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)CC ZINC001272005946 808792645 /nfs/dbraw/zinc/79/26/45/808792645.db2.gz PRMAAKWAQVATPT-OWCLPIDISA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCC=C ZINC001272035414 808793061 /nfs/dbraw/zinc/79/30/61/808793061.db2.gz VXKRBVGIAYYKRW-IAGOWNOFSA-N 1 1 290.451 3.374 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)CCC ZINC001272043179 808794346 /nfs/dbraw/zinc/79/43/46/808794346.db2.gz LGSODYNHPKRYDV-YESZJQIVSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C=C(CC)CC)CC[C@H]21 ZINC001272204054 808801252 /nfs/dbraw/zinc/80/12/52/808801252.db2.gz AACJLGPNJJDVTC-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCN1CC[C@@]2(CCC[N@H+](C[C@H](C)CCC)CC2)C1=O ZINC001272432925 808809272 /nfs/dbraw/zinc/80/92/72/808809272.db2.gz SRAUNMWLLRLPIC-AEFFLSMTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC(=O)NCc1cccc2c1CC[N@H+](C(C)C)C2 ZINC001272909564 808827199 /nfs/dbraw/zinc/82/71/99/808827199.db2.gz PCXBJXVZZUDRPK-UHFFFAOYSA-N 1 1 286.419 3.036 20 30 CGEDMO N#Cc1ccc(Nc2cc[nH+]c3ccccc23)s1 ZINC001174038061 808835608 /nfs/dbraw/zinc/83/56/08/808835608.db2.gz LQFAYJUKUJHKSO-UHFFFAOYSA-N 1 1 251.314 3.333 20 30 CGEDMO C=C/C(C)=C/CC(=O)N[C@H]1CCC[N@@H+](CC(=C)Cl)CC1 ZINC001273436860 808845629 /nfs/dbraw/zinc/84/56/29/808845629.db2.gz DONNJTGRDNYZGG-COSNYCCFSA-N 1 1 296.842 3.232 20 30 CGEDMO C=CCN1CC[C@@]2(CCC[N@H+](CCCC(C)C)CC2)C1=O ZINC001273425723 808845704 /nfs/dbraw/zinc/84/57/04/808845704.db2.gz XSGYJXDVXMSOOP-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)C(C)C)CC1 ZINC001273455802 808846885 /nfs/dbraw/zinc/84/68/85/808846885.db2.gz AELSGVJTARAKRI-KBPBESRZSA-N 1 1 286.847 3.002 20 30 CGEDMO C=C(C)CN1CC[C@@]2(CC[N@@H+](CC3CCCCC3)C2)C1=O ZINC001273509814 808851226 /nfs/dbraw/zinc/85/12/26/808851226.db2.gz XQQADOJYPJYCJG-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C1CCC(C(=O)N(C)CCC[N@@H+](C)CC2CCC2)CC1 ZINC001273554066 808853434 /nfs/dbraw/zinc/85/34/34/808853434.db2.gz MQAZKMUVARHTKN-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC(=O)NC[C@H]1Cc2ccccc2C[N@@H+]1CCC=C ZINC001273814770 808861310 /nfs/dbraw/zinc/86/13/10/808861310.db2.gz RSYABLQIVZPFCB-GOSISDBHSA-N 1 1 298.430 3.072 20 30 CGEDMO C=C(C)CN1CC[C@]2(CCC[N@H+]([C@H](C)CC)CC2)C1=O ZINC001273922421 808863749 /nfs/dbraw/zinc/86/37/49/808863749.db2.gz MQXDJWBBXIVKTN-NVXWUHKLSA-N 1 1 278.440 3.066 20 30 CGEDMO Cc1ccncc1Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001174115567 808874098 /nfs/dbraw/zinc/87/40/98/808874098.db2.gz JRQQCUNQTNTFDQ-UHFFFAOYSA-N 1 1 284.388 3.055 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CC[N@H+](C(C)C)CC1(C)C ZINC001274437576 808876068 /nfs/dbraw/zinc/87/60/68/808876068.db2.gz VUORVHNHXTZRPG-INIZCTEOSA-N 1 1 292.467 3.380 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)CCCCC)C[C@@H]1C ZINC001274663029 808880818 /nfs/dbraw/zinc/88/08/18/808880818.db2.gz QUJRNGKPMNWOBA-HOTGVXAUSA-N 1 1 292.467 3.195 20 30 CGEDMO CC#CC[N@H+](CC)CC1CCN(C(=O)CCCCC)CC1 ZINC001274945684 808893945 /nfs/dbraw/zinc/89/39/45/808893945.db2.gz VEJXIFHQRCCLQE-UHFFFAOYSA-N 1 1 292.467 3.151 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC(C[N@@H+](CC)CCF)CC1 ZINC001274955468 808894558 /nfs/dbraw/zinc/89/45/58/808894558.db2.gz MLGZHAPKOJHHIF-HNNXBMFYSA-N 1 1 298.446 3.119 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@]2(CCCN(C)C2)C1 ZINC001274974672 808896017 /nfs/dbraw/zinc/89/60/17/808896017.db2.gz ORZAYOHJCZPGKL-INIZCTEOSA-N 1 1 250.430 3.151 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@]2(CCCN(C)C2)C1 ZINC001274974672 808896023 /nfs/dbraw/zinc/89/60/23/808896023.db2.gz ORZAYOHJCZPGKL-INIZCTEOSA-N 1 1 250.430 3.151 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)CC1(C)CCCCC1 ZINC001275121539 808912024 /nfs/dbraw/zinc/91/20/24/808912024.db2.gz OQCSXZSKNOMXJD-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@H]2C[N@H+](C)CCC(C)C)C1 ZINC001275143545 808915295 /nfs/dbraw/zinc/91/52/95/808915295.db2.gz NLGYQJVRHSUASS-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)CCCCC(C)C ZINC001275151323 808917522 /nfs/dbraw/zinc/91/75/22/808917522.db2.gz ZOIOHNJOQSHWQE-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCC(=O)N1CCC([C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001275184123 808920331 /nfs/dbraw/zinc/92/03/31/808920331.db2.gz LJNXISVJYMQGGC-KRWDZBQOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cccc(C)c1 ZINC001275497535 808941430 /nfs/dbraw/zinc/94/14/30/808941430.db2.gz USFJQCHQNRJORJ-OAHLLOKOSA-N 1 1 274.408 3.011 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@H](C)NC(=O)CCC(F)(F)F ZINC001275528170 808944498 /nfs/dbraw/zinc/94/44/98/808944498.db2.gz MADMYNBTTZTNBH-RYUDHWBXSA-N 1 1 294.361 3.120 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)c1[nH]c(C)cc1C ZINC001275592821 808950239 /nfs/dbraw/zinc/95/02/39/808950239.db2.gz SJZNYFRRQDPUDS-CABCVRRESA-N 1 1 291.439 3.036 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)c1c(C)[nH]c2ccccc21 ZINC001275599408 808951536 /nfs/dbraw/zinc/95/15/36/808951536.db2.gz GYAALWLGRKWJOY-CYBMUJFWSA-N 1 1 299.418 3.103 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)CC(C)=C(C)C ZINC001275622306 808953451 /nfs/dbraw/zinc/95/34/51/808953451.db2.gz NTTOQHJGTIZBEM-HNNXBMFYSA-N 1 1 266.429 3.136 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)c1ccsc1 ZINC001275647396 808954820 /nfs/dbraw/zinc/95/48/20/808954820.db2.gz AMOLOFRDDLWWOI-KBPBESRZSA-N 1 1 294.464 3.254 20 30 CGEDMO C#CC[N@H+](C)C[C@H](C)NC(=O)[C@H](CC)CC1CCCCC1 ZINC001275665616 808956394 /nfs/dbraw/zinc/95/63/94/808956394.db2.gz KKFWGJCDRYFJMA-DOTOQJQBSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)c1ccc(CC)s1 ZINC001275872240 808972537 /nfs/dbraw/zinc/97/25/37/808972537.db2.gz ANRMNMAAVHLBKW-ZDUSSCGKSA-N 1 1 294.464 3.327 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)C[C@@H](C)CC(C)(C)C ZINC001275936736 808978427 /nfs/dbraw/zinc/97/84/27/808978427.db2.gz VHJHQFOULBCVPJ-CABCVRRESA-N 1 1 282.472 3.461 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@H](F)c1ccccc1 ZINC001275947917 808979058 /nfs/dbraw/zinc/97/90/58/808979058.db2.gz YVHGOEYYPAHYTR-GDBMZVCRSA-N 1 1 292.398 3.100 20 30 CGEDMO C#Cc1cccc(CN2CC[C@H]3[C@@H]2CC[N@H+]3C2CCCC2)c1 ZINC001276097409 808987704 /nfs/dbraw/zinc/98/77/04/808987704.db2.gz WIHMFBXNVKNBCP-PMACEKPBSA-N 1 1 294.442 3.259 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)C=C1CCC1 ZINC001276289103 808998831 /nfs/dbraw/zinc/99/88/31/808998831.db2.gz JNEUVGHDMHHMPU-HNNXBMFYSA-N 1 1 296.842 3.210 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)C=C1CCC1 ZINC001276289103 808998835 /nfs/dbraw/zinc/99/88/35/808998835.db2.gz JNEUVGHDMHHMPU-HNNXBMFYSA-N 1 1 296.842 3.210 20 30 CGEDMO CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)CCC ZINC001276319614 809001047 /nfs/dbraw/zinc/00/10/47/809001047.db2.gz MFPOFRUACHHWPK-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)C2(F)CCCC2)C(C)(C)C1 ZINC001276594336 809019016 /nfs/dbraw/zinc/01/90/16/809019016.db2.gz XWZQNECWMRZHMG-CQSZACIVSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@H]1CC[N@H+]1CCCC1CCC1 ZINC001276931969 809047229 /nfs/dbraw/zinc/04/72/29/809047229.db2.gz OVUYRONCZXHGAH-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCCCC[N@@H+]1CC[C@@]2(CCC[C@@H]2C(N)=O)C1 ZINC001277152806 809060387 /nfs/dbraw/zinc/06/03/87/809060387.db2.gz OZFLCSFWXWCKBT-WBVHZDCISA-N 1 1 278.440 3.100 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]2C[C@]21C(=O)NC(C)(C)C ZINC001277224827 809064128 /nfs/dbraw/zinc/06/41/28/809064128.db2.gz NXDYPVHBGJLWJZ-WMLDXEAASA-N 1 1 280.456 3.336 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H]2C[C@@]2(C(=O)NC(C)(C)C)C1 ZINC001277225068 809064737 /nfs/dbraw/zinc/06/47/37/809064737.db2.gz QOEHRYOUGLNGMT-RHSMWYFYSA-N 1 1 280.456 3.193 20 30 CGEDMO C=C(C)CCC(=O)N1CCC([C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC001277273824 809067051 /nfs/dbraw/zinc/06/70/51/809067051.db2.gz HUUJILDNJOCCRD-KRWDZBQOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)CC(C)(C)C=C)CC1 ZINC001277404245 809072572 /nfs/dbraw/zinc/07/25/72/809072572.db2.gz VOZOXOUQNHSOAC-UHFFFAOYSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCC ZINC001277441326 809075662 /nfs/dbraw/zinc/07/56/62/809075662.db2.gz MZUQEQCXOUOOOF-IYBDPMFKSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)C3(CCC)CC3)C2)C1 ZINC001277531663 809078336 /nfs/dbraw/zinc/07/83/36/809078336.db2.gz SSLSXORWBJPHDC-KRWDZBQOSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCCC(=O)N1CC[C@]2(CC[N@@H+](CC3CCCC3)C2)C1 ZINC001277509862 809079385 /nfs/dbraw/zinc/07/93/85/809079385.db2.gz QLKZSZUWPNHNRD-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@](C)(NC(=O)CCC)C1 ZINC001278356186 809127072 /nfs/dbraw/zinc/12/70/72/809127072.db2.gz HWTNTTAOKCDLJJ-MRXNPFEDSA-N 1 1 268.445 3.338 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CC(C)=C(C)C)[C@@H]1C ZINC001278515696 809138841 /nfs/dbraw/zinc/13/88/41/809138841.db2.gz KSDNYGQFPIXIGP-JKSUJKDBSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C(C)CCC(=O)NC[C@]1(C)CCC[N@@H+](C/C=C/Cl)C1 ZINC001278664152 809150204 /nfs/dbraw/zinc/15/02/04/809150204.db2.gz VESJSKNTCDXRMY-RDTXFTJFSA-N 1 1 298.858 3.314 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC(C)C ZINC001279542792 809174755 /nfs/dbraw/zinc/17/47/55/809174755.db2.gz PVSDTYKZVGQVIU-HZPDHXFCSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C[C@H](CC)CC(=O)NCC1=CC[N@H+](C/C=C\Cl)CC1 ZINC001279622483 809175990 /nfs/dbraw/zinc/17/59/90/809175990.db2.gz ZSMJJWXKOYOWHF-BMWLXYDHSA-N 1 1 296.842 3.090 20 30 CGEDMO C=C[C@H](CC)CC(=O)NCC1=CC[N@@H+](C/C=C\Cl)CC1 ZINC001279622483 809175995 /nfs/dbraw/zinc/17/59/95/809175995.db2.gz ZSMJJWXKOYOWHF-BMWLXYDHSA-N 1 1 296.842 3.090 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NCC1=CC[N@H+](C/C=C\Cl)CC1 ZINC001279622486 809176314 /nfs/dbraw/zinc/17/63/14/809176314.db2.gz ZSMJJWXKOYOWHF-PODYEWJSSA-N 1 1 296.842 3.090 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NCC1=CC[N@@H+](C/C=C\Cl)CC1 ZINC001279622486 809176319 /nfs/dbraw/zinc/17/63/19/809176319.db2.gz ZSMJJWXKOYOWHF-PODYEWJSSA-N 1 1 296.842 3.090 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@@H](C)[C@@H](C)CC)CC1 ZINC001279661018 809177392 /nfs/dbraw/zinc/17/73/92/809177392.db2.gz JWPLSRVTTBLVIK-HOTGVXAUSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@H](C)[N@H+](C)CCC(C)C ZINC001282390624 809247288 /nfs/dbraw/zinc/24/72/88/809247288.db2.gz ZTZZIPHYQHUBDD-AWEZNQCLSA-N 1 1 268.445 3.071 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)[C@@H]1C[C@@]1(C)C(C)C ZINC001280872569 809203451 /nfs/dbraw/zinc/20/34/51/809203451.db2.gz GSJBDQDYKMPBLZ-WMZOPIPTSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC(CC)CC)C2 ZINC001281100007 809206223 /nfs/dbraw/zinc/20/62/23/809206223.db2.gz KHTUQXUHAUTZQV-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CSC(C)C)C[C@H]1C ZINC001281653148 809216527 /nfs/dbraw/zinc/21/65/27/809216527.db2.gz RGRKLHDAXNSDEV-CABCVRRESA-N 1 1 298.496 3.063 20 30 CGEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)CC(C)C)C[C@@H]1C ZINC001281684737 809217649 /nfs/dbraw/zinc/21/76/49/809217649.db2.gz KFPDUSHCWOAAGC-JKSUJKDBSA-N 1 1 292.467 3.051 20 30 CGEDMO C#CC[N@H+](CC)CC1CCN(C(=O)CC(CC)CC)CC1 ZINC001281841406 809221344 /nfs/dbraw/zinc/22/13/44/809221344.db2.gz ZOSCJMZKEVBVKL-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@H](C)CCC ZINC001281917942 809224170 /nfs/dbraw/zinc/22/41/70/809224170.db2.gz YDTZUPVIETVZML-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@]1(C)CC=CCC1 ZINC001281939001 809225615 /nfs/dbraw/zinc/22/56/15/809225615.db2.gz ACPXCIUIJJMZML-AEFFLSMTSA-N 1 1 290.451 3.232 20 30 CGEDMO C#CCC[N@H+](C)[C@@H](C)CNC(=O)c1ccc(C2CCC2)cc1 ZINC001282398040 809246662 /nfs/dbraw/zinc/24/66/62/809246662.db2.gz KLWAIOIZOUAOAS-HNNXBMFYSA-N 1 1 298.430 3.028 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1cc(C)[nH]c1C ZINC001282467873 809249576 /nfs/dbraw/zinc/24/95/76/809249576.db2.gz KCCXAKNGRDMESC-KBPBESRZSA-N 1 1 291.439 3.036 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)CC)C(C)(C)C1 ZINC001282801189 809263354 /nfs/dbraw/zinc/26/33/54/809263354.db2.gz SHTJWVKCKDYGEY-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](CC(C)C)CC1(C)C ZINC001282821565 809263584 /nfs/dbraw/zinc/26/35/84/809263584.db2.gz PJVXGDKUFIPIJM-CQSZACIVSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1C[N@H+](CC2CC(C)C2)CC1(C)C ZINC001282820879 809264254 /nfs/dbraw/zinc/26/42/54/809264254.db2.gz FVQIDSQGYDJHDB-UYSNPLJNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)C[C@@H](C)C2CC2)C(C)(C)C1 ZINC001282833155 809264632 /nfs/dbraw/zinc/26/46/32/809264632.db2.gz ILISPENBBLDUEF-ZBFHGGJFSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)[C@@H](F)CC)C2)C1 ZINC001282967054 809267972 /nfs/dbraw/zinc/26/79/72/809267972.db2.gz IHCSPCAUBGRKLW-CABCVRRESA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)c1c(C)oc(C)c1C)C(C)C ZINC001284543407 809308743 /nfs/dbraw/zinc/30/87/43/809308743.db2.gz GTMBHDGYDJBJAH-UHFFFAOYSA-N 1 1 292.423 3.173 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CNC(=O)[C@@]2(C)C=CCC2)CC1 ZINC001284949966 809321319 /nfs/dbraw/zinc/32/13/19/809321319.db2.gz YNQHVSUIGFQNFT-SFHVURJKSA-N 1 1 288.435 3.057 20 30 CGEDMO N#Cc1ncccc1NC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001175504774 809432944 /nfs/dbraw/zinc/43/29/44/809432944.db2.gz DICGQZXVJLRPFG-UHFFFAOYSA-N 1 1 290.370 3.155 20 30 CGEDMO C=CCN(CC1CCCCC1)C(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC001293385080 809446877 /nfs/dbraw/zinc/44/68/77/809446877.db2.gz ZPORMXYTLZVYBU-MRXNPFEDSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC1(CC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CCCCC1 ZINC001293649862 809452182 /nfs/dbraw/zinc/45/21/82/809452182.db2.gz GDVYNXGTWPJBAN-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C[N@H+]1CCC=C(Nc2ccc(C#N)c3ccccc23)C1 ZINC001175575863 809458208 /nfs/dbraw/zinc/45/82/08/809458208.db2.gz BEEQRIDTOIGNCV-UHFFFAOYSA-N 1 1 263.344 3.343 20 30 CGEDMO C[N@H+]1CCC=C(Nc2cc(C#N)cc(C(F)(F)F)c2)C1 ZINC001175579905 809459679 /nfs/dbraw/zinc/45/96/79/809459679.db2.gz HSPHOACKJONYFD-UHFFFAOYSA-N 1 1 281.281 3.208 20 30 CGEDMO C#Cc1ccc(Nc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC001175863266 809559635 /nfs/dbraw/zinc/55/96/35/809559635.db2.gz BYXRNKLJHXFUCN-UHFFFAOYSA-N 1 1 292.382 3.244 20 30 CGEDMO C#CC[N@H+](CCCOCc1ccccc1)C(C)(C)C ZINC001176281204 809659249 /nfs/dbraw/zinc/65/92/49/809659249.db2.gz JZQTYJJBRDKAAS-UHFFFAOYSA-N 1 1 259.393 3.327 20 30 CGEDMO C=CCC[C@@H]1CCC[N@H+]1C[C@@H]1CCC[C@@]2(CCOC2)O1 ZINC001176771249 809759751 /nfs/dbraw/zinc/75/97/51/809759751.db2.gz JDQKUQMAVKTROE-IKGGRYGDSA-N 1 1 279.424 3.145 20 30 CGEDMO C/C(=C\c1ccccc1)C[NH2+]Cc1nc(C#N)cs1 ZINC001179680988 809936245 /nfs/dbraw/zinc/93/62/45/809936245.db2.gz FWIKGHSCNHFZGG-KPKJPENVSA-N 1 1 269.373 3.208 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CC[C@H](SC)C1 ZINC001182061082 810092267 /nfs/dbraw/zinc/09/22/67/810092267.db2.gz CFMCDVUASDFKSA-LBPRGKRZSA-N 1 1 295.835 3.289 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cc(C(=O)OCC)c(C)[nH]2)C1 ZINC001182796623 810125204 /nfs/dbraw/zinc/12/52/04/810125204.db2.gz XDEIRENHJFBLTJ-CQSZACIVSA-N 1 1 290.407 3.288 20 30 CGEDMO C=C(C)C[C@@H]([NH2+]C1CCc2ccccc2CC1)C(=O)OC ZINC001183324031 810144802 /nfs/dbraw/zinc/14/48/02/810144802.db2.gz JSLQLEGIDVORCT-QGZVFWFLSA-N 1 1 287.403 3.031 20 30 CGEDMO C#CC[N@H+](Cc1cccc(Br)c1F)C(C)C ZINC001184115389 810177892 /nfs/dbraw/zinc/17/78/92/810177892.db2.gz FVVNJZXSMYHSTD-UHFFFAOYSA-N 1 1 284.172 3.432 20 30 CGEDMO C#CC[N@@H+](Cc1cccc(Br)c1F)C(C)C ZINC001184115389 810177894 /nfs/dbraw/zinc/17/78/94/810177894.db2.gz FVVNJZXSMYHSTD-UHFFFAOYSA-N 1 1 284.172 3.432 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1cc(C(=O)OC)c(CC)[nH]1 ZINC001184189339 810181621 /nfs/dbraw/zinc/18/16/21/810181621.db2.gz VIHBDMBUKGRUBX-UHFFFAOYSA-N 1 1 278.396 3.152 20 30 CGEDMO C#CCCCCCC[N@H+]1CCc2ccnc(N(C)C)c2C1 ZINC001184364438 810195791 /nfs/dbraw/zinc/19/57/91/810195791.db2.gz SNHSTBHGWRLQTB-UHFFFAOYSA-N 1 1 285.435 3.089 20 30 CGEDMO Cc1c[nH+]c(Nc2cc(C(F)(F)F)c(F)cc2C#N)[nH]1 ZINC001185735305 810288777 /nfs/dbraw/zinc/28/87/77/810288777.db2.gz JRGXHOVWEBCFIW-UHFFFAOYSA-N 1 1 284.216 3.491 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccccc3C)[C@@H]2C1 ZINC001186684988 810356920 /nfs/dbraw/zinc/35/69/20/810356920.db2.gz BKMMDNMUXLMFBO-FUHWJXTLSA-N 1 1 298.430 3.108 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)c2ccco2)C1 ZINC001188643881 810499087 /nfs/dbraw/zinc/49/90/87/810499087.db2.gz YBRJLRVLTITAIR-HNNXBMFYSA-N 1 1 292.423 3.396 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccccc2C)C1 ZINC001188693459 810503514 /nfs/dbraw/zinc/50/35/14/810503514.db2.gz NXTYKBXAYDZPER-MRXNPFEDSA-N 1 1 286.419 3.108 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)CCSC)C1 ZINC001188802698 810515999 /nfs/dbraw/zinc/51/59/99/810515999.db2.gz CEKLOSAOFBNEBK-HNNXBMFYSA-N 1 1 298.496 3.019 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc[nH]2)C1 ZINC001188853354 810520234 /nfs/dbraw/zinc/52/02/34/810520234.db2.gz UDEYKGZKSXKBIH-OAHLLOKOSA-N 1 1 291.439 3.131 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C=C)CC)[C@@H]2C1 ZINC001188894962 810520704 /nfs/dbraw/zinc/52/07/04/810520704.db2.gz DUZWXCMAJLLEJM-YESZJQIVSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](CCC(C)C)C[C@H]21 ZINC001188908468 810522572 /nfs/dbraw/zinc/52/25/72/810522572.db2.gz DXCPQHKXUZYJSD-IXDOHACOSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)CCC)C1 ZINC001189288798 810555208 /nfs/dbraw/zinc/55/52/08/810555208.db2.gz KKRQFTIKALEVJL-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)CC(C)C)[C@@H]2C1 ZINC001189559798 810578171 /nfs/dbraw/zinc/57/81/71/810578171.db2.gz CCITUZZUHYWAQO-IXDOHACOSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)CC(C)C)[C@@H]2C1 ZINC001189691723 810585671 /nfs/dbraw/zinc/58/56/71/810585671.db2.gz IFSFPGWXKKFXPF-IXDOHACOSA-N 1 1 292.467 3.168 20 30 CGEDMO C#CCCCC(=O)N1CC[C@@H]([N@H+](C)CC/C=C\CCC)C1 ZINC001189910442 810595300 /nfs/dbraw/zinc/59/53/00/810595300.db2.gz PFZMPGGIPLBYAF-XZVRFQMRSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)CCCC[C@@H](C)CC)C1 ZINC001190371950 810624146 /nfs/dbraw/zinc/62/41/46/810624146.db2.gz XFDYBSGTFIBENI-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)CC(C)(C)C=C)C1 ZINC001190388579 810625529 /nfs/dbraw/zinc/62/55/29/810625529.db2.gz NJYLYKJXZCACOA-HNNXBMFYSA-N 1 1 278.440 3.088 20 30 CGEDMO CC(C)C[N@@H+](CCOC1CC1)Cc1ccc(C#N)cc1 ZINC001190616359 810639161 /nfs/dbraw/zinc/63/91/61/810639161.db2.gz MFIXKKOZROQRDD-UHFFFAOYSA-N 1 1 272.392 3.195 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC23CC3)C1 ZINC001190901120 810656202 /nfs/dbraw/zinc/65/62/02/810656202.db2.gz VJYBRWWRFIWEOF-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)c2cc(C)sc2C)C1 ZINC001191196805 810688152 /nfs/dbraw/zinc/68/81/52/810688152.db2.gz AHQFGMLOLVWTMX-CQSZACIVSA-N 1 1 292.448 3.087 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC001191321185 810700123 /nfs/dbraw/zinc/70/01/23/810700123.db2.gz XEVMXJQMDCUCIU-GVDBMIGSSA-N 1 1 295.467 3.373 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C/C=C(/C)C=C)C1 ZINC001191827168 810747462 /nfs/dbraw/zinc/74/74/62/810747462.db2.gz AGTWTBPLNJDDOM-TYWAAFNRSA-N 1 1 276.424 3.008 20 30 CGEDMO C=CCCCC(=O)N1CC[C@@H]([N@H+](C)CCCCC)C1 ZINC001192094847 810769874 /nfs/dbraw/zinc/76/98/74/810769874.db2.gz WYYLOJOBAQNIIE-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC[C@@H]([N@H+](C)CCCCC)C2)C1 ZINC001192256363 810782171 /nfs/dbraw/zinc/78/21/71/810782171.db2.gz GUZXEKKUUFKNBU-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)C2(CF)CC2)C1 ZINC001192293076 810784329 /nfs/dbraw/zinc/78/43/29/810784329.db2.gz GJZXFXRNQTXARK-OAHLLOKOSA-N 1 1 298.446 3.239 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)CC(CC)CC)C1 ZINC001193110527 810857957 /nfs/dbraw/zinc/85/79/57/810857957.db2.gz NLQDPRFZOISMNS-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC23CCCC3)C1 ZINC001193267901 810868086 /nfs/dbraw/zinc/86/80/86/810868086.db2.gz OKTUBMFCVZUTCY-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)C[C@H](C)CC(C)C)C1 ZINC001193408643 810884010 /nfs/dbraw/zinc/88/40/10/810884010.db2.gz OKQVTWHLYXTRBW-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](F)CCCCCC)C1 ZINC001193479261 810894508 /nfs/dbraw/zinc/89/45/08/810894508.db2.gz UHLRVVKSKAMDNA-LSDHHAIUSA-N 1 1 284.419 3.014 20 30 CGEDMO CCCCCCC[N@@H+]1CCN(CC(C)C)C(=O)[C@H]1C ZINC001193674524 810934579 /nfs/dbraw/zinc/93/45/79/810934579.db2.gz KRIKHABNJGGWLH-OAHLLOKOSA-N 1 1 268.445 3.146 20 30 CGEDMO CCCCCCC[N@H+]1CCN(CC(C)C)C(=O)[C@H]1C ZINC001193674524 810934586 /nfs/dbraw/zinc/93/45/86/810934586.db2.gz KRIKHABNJGGWLH-OAHLLOKOSA-N 1 1 268.445 3.146 20 30 CGEDMO CC(C)[N@@H+](C[C@@H](O)c1cccc(C#N)c1)CC1CCC1 ZINC001193906937 810975783 /nfs/dbraw/zinc/97/57/83/810975783.db2.gz OFMHHBBLYYVOKH-QGZVFWFLSA-N 1 1 272.392 3.102 20 30 CGEDMO CCCCCCCOC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC001194003285 810998701 /nfs/dbraw/zinc/99/87/01/810998701.db2.gz PWQNKTSCAFEBOW-HNNXBMFYSA-N 1 1 282.428 3.264 20 30 CGEDMO CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](CCCC)C(C)C)C1 ZINC001194336231 811054100 /nfs/dbraw/zinc/05/41/00/811054100.db2.gz HNNKTSSBPRKLLQ-DLBZAZTESA-N 1 1 292.467 3.005 20 30 CGEDMO CCCCCCC[N@H+]1CCCN(C(=O)C(C)(C)F)CC1 ZINC001194628855 811099136 /nfs/dbraw/zinc/09/91/36/811099136.db2.gz CJGKDVKQYQFNAI-UHFFFAOYSA-N 1 1 286.435 3.239 20 30 CGEDMO CCCCCCCCOC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC001194740816 811121606 /nfs/dbraw/zinc/12/16/06/811121606.db2.gz QPHKGKMDIGEUES-OAHLLOKOSA-N 1 1 282.428 3.264 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C[C@H]2C=CCC2)CC1 ZINC001194761123 811125107 /nfs/dbraw/zinc/12/51/07/811125107.db2.gz AWPNJANKHJILJG-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCCCC[N@H+]1CCCN(C(=O)CC2CCC2)CC1 ZINC001195419176 811253130 /nfs/dbraw/zinc/25/31/30/811253130.db2.gz VNCKFGACQMBFTI-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001196009573 811309173 /nfs/dbraw/zinc/30/91/73/811309173.db2.gz ASVAOVUUSZEDCB-UHFFFAOYSA-N 1 1 286.419 3.077 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC001196134993 811320857 /nfs/dbraw/zinc/32/08/57/811320857.db2.gz UOYAPNULAVRBDT-KBXCAEBGSA-N 1 1 285.387 3.451 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC001196134994 811321252 /nfs/dbraw/zinc/32/12/52/811321252.db2.gz UOYAPNULAVRBDT-KDOFPFPSSA-N 1 1 285.387 3.451 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCN(C(=O)C(C)(C)C=C)CC1 ZINC001196733116 811360641 /nfs/dbraw/zinc/36/06/41/811360641.db2.gz YDOAPSWTUNXREZ-UHFFFAOYSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C2(C)CCC2)CC1 ZINC001196762809 811363401 /nfs/dbraw/zinc/36/34/01/811363401.db2.gz PEOYQOQSLVAQHS-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@@H+](CC2CCCC2)CC1 ZINC001196831088 811373805 /nfs/dbraw/zinc/37/38/05/811373805.db2.gz ODQAUMTWPKYEQL-CVEARBPZSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@@H+](CCCCCF)CC1 ZINC001196854747 811376470 /nfs/dbraw/zinc/37/64/70/811376470.db2.gz SSBJFHHEPAQHQY-HOTGVXAUSA-N 1 1 298.446 3.119 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C(C)(C)CC)CC1 ZINC001196977964 811388274 /nfs/dbraw/zinc/38/82/74/811388274.db2.gz XGLPSISADJWNDD-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[N@H+](CC/C=C\CC)CC1 ZINC001197038868 811394722 /nfs/dbraw/zinc/39/47/22/811394722.db2.gz ZLJBUOGRMNDQPZ-GIFJBRJJSA-N 1 1 292.467 3.479 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)CC[C@@H](C)CC)CC1 ZINC001197546282 811428792 /nfs/dbraw/zinc/42/87/92/811428792.db2.gz YXISBVCWGUNJDZ-INIZCTEOSA-N 1 1 280.456 3.313 20 30 CGEDMO C#CC[N@H+]1CCCN(C(=O)[C@@H](CCCCC)C(C)C)CC1 ZINC001197747128 811450159 /nfs/dbraw/zinc/45/01/59/811450159.db2.gz IDNJAPYDYOTTMI-KRWDZBQOSA-N 1 1 292.467 3.006 20 30 CGEDMO C#CC[N@@H+]1CCCN(C(=O)[C@@H](CCCCC)C(C)C)CC1 ZINC001197747128 811450164 /nfs/dbraw/zinc/45/01/64/811450164.db2.gz IDNJAPYDYOTTMI-KRWDZBQOSA-N 1 1 292.467 3.006 20 30 CGEDMO C#CCC[N@@H+]1CCCN(C(=O)C[C@H](CC)C(C)(C)C)CC1 ZINC001197802727 811453567 /nfs/dbraw/zinc/45/35/67/811453567.db2.gz SUVIPRBCMISUCP-INIZCTEOSA-N 1 1 292.467 3.006 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCOC[C@H]1CC1CC1 ZINC001198052635 811474953 /nfs/dbraw/zinc/47/49/53/811474953.db2.gz VGRMZIMUUOUGSZ-QGZVFWFLSA-N 1 1 284.403 3.176 20 30 CGEDMO C=CCCCCC[N@H+]1CCOC[C@@H]1C[C@@H]1CCCO1 ZINC001198242067 811486529 /nfs/dbraw/zinc/48/65/29/811486529.db2.gz QGVFHBZINXUBNW-HOTGVXAUSA-N 1 1 267.413 3.003 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@]1(C)Cc1cccs1 ZINC001198300189 811489077 /nfs/dbraw/zinc/48/90/77/811489077.db2.gz KOWCWBDOTWQRCR-GOEBONIOSA-N 1 1 279.449 3.472 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1cc(OC)ccc1Cl ZINC001198490858 811509053 /nfs/dbraw/zinc/50/90/53/811509053.db2.gz LWXSHTZQDZJKLQ-GFCCVEGCSA-N 1 1 251.757 3.499 20 30 CGEDMO N#CC1(C[N@@H+]2CCCC[C@H]2Cc2ccc(O)cc2)CC1 ZINC001198613568 811525269 /nfs/dbraw/zinc/52/52/69/811525269.db2.gz YLJYUNYWFMMDSW-HNNXBMFYSA-N 1 1 270.376 3.093 20 30 CGEDMO CCCCCCCCCNC(=S)N1CC[NH+](CC)CC1 ZINC001200368910 811682651 /nfs/dbraw/zinc/68/26/51/811682651.db2.gz KMSLIRVFMJVKAP-UHFFFAOYSA-N 1 1 299.528 3.249 20 30 CGEDMO COc1ccc(Nc2c(C)[nH+]c3ccccn32)cc1C#N ZINC001214995854 815473716 /nfs/dbraw/zinc/47/37/16/815473716.db2.gz QSHINLQEIPCJFR-UHFFFAOYSA-N 1 1 278.315 3.267 20 30 CGEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](C[C@@H](C)CCC)C2 ZINC001201549837 811896960 /nfs/dbraw/zinc/89/69/60/811896960.db2.gz DJIGNMLKGLYFMH-ULQDDVLXSA-N 1 1 281.440 3.249 20 30 CGEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](C[C@@H](C)CCC)C2 ZINC001201549839 811897133 /nfs/dbraw/zinc/89/71/33/811897133.db2.gz DJIGNMLKGLYFMH-YESZJQIVSA-N 1 1 281.440 3.249 20 30 CGEDMO CCCCCCC[N@H+]1CCN(C)c2ncccc2C1 ZINC001201776792 811965034 /nfs/dbraw/zinc/96/50/34/811965034.db2.gz LPZIARKXGCGKPO-UHFFFAOYSA-N 1 1 261.413 3.304 20 30 CGEDMO CCCCCCCC[N@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC001201840237 811968969 /nfs/dbraw/zinc/96/89/69/811968969.db2.gz PVZKDWCQTPSZSM-AWEZNQCLSA-N 1 1 274.399 3.372 20 30 CGEDMO CCCCCCCCC[N@H+]1Cc2ccnn2CC[C@@H]1CO ZINC001201852982 811972959 /nfs/dbraw/zinc/97/29/59/811972959.db2.gz VULFWQNUECVTCJ-QGZVFWFLSA-N 1 1 293.455 3.200 20 30 CGEDMO CCCCCCCCCC[N@H+]1CCCN(C)C(=O)C1 ZINC001201875412 811973919 /nfs/dbraw/zinc/97/39/19/811973919.db2.gz YSRWYPUUUWCRDU-UHFFFAOYSA-N 1 1 268.445 3.291 20 30 CGEDMO C=CC[N@@H+](Cc1[nH]c(CC)nc1C)Cc1ccccc1 ZINC001203246618 812280234 /nfs/dbraw/zinc/28/02/34/812280234.db2.gz IWUGQUHLOFYDQK-UHFFFAOYSA-N 1 1 269.392 3.469 20 30 CGEDMO C=CC[N@H+](Cc1[nH]c(CC)nc1C)Cc1ccccc1 ZINC001203246618 812280243 /nfs/dbraw/zinc/28/02/43/812280243.db2.gz IWUGQUHLOFYDQK-UHFFFAOYSA-N 1 1 269.392 3.469 20 30 CGEDMO N#Cc1ccc2c(c1)CC[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC001203651547 812415167 /nfs/dbraw/zinc/41/51/67/812415167.db2.gz RBJSWGAQSPWKRY-UHFFFAOYSA-N 1 1 298.773 3.476 20 30 CGEDMO CCOc1ccc(C[N@H+]2CCC[C@@H](C#N)CC2)cc1 ZINC001203968891 812503480 /nfs/dbraw/zinc/50/34/80/812503480.db2.gz PAEWLMINJLSNEM-CQSZACIVSA-N 1 1 258.365 3.211 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](CCC)CCOC)cc1 ZINC001204294608 812603664 /nfs/dbraw/zinc/60/36/64/812603664.db2.gz USTCLYGVGKEXSL-UHFFFAOYSA-N 1 1 263.381 3.110 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)cc1 ZINC001204298260 812605051 /nfs/dbraw/zinc/60/50/51/812605051.db2.gz YBEBCODDXBBJOV-WMZOPIPTSA-N 1 1 287.403 3.252 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)cc1 ZINC001204304342 812606504 /nfs/dbraw/zinc/60/65/04/812606504.db2.gz DZNPRBWLIFUVIL-WBVHZDCISA-N 1 1 285.387 3.052 20 30 CGEDMO C=CC[N@H+](Cc1cc(O)c(O)c(OC)c1)C1CCCCC1 ZINC001204351418 812618000 /nfs/dbraw/zinc/61/80/00/812618000.db2.gz QULDSANFEZOIHW-UHFFFAOYSA-N 1 1 291.391 3.427 20 30 CGEDMO C#CC[N@@H+](CC#CC)Cc1ccc(C2CCC2)cc1 ZINC001204768615 812730590 /nfs/dbraw/zinc/73/05/90/812730590.db2.gz LLLPZTHPCSNOKH-UHFFFAOYSA-N 1 1 251.373 3.413 20 30 CGEDMO C#CC[N@H+](CC#CC)Cc1ccc(C2CCC2)cc1 ZINC001204768615 812730593 /nfs/dbraw/zinc/73/05/93/812730593.db2.gz LLLPZTHPCSNOKH-UHFFFAOYSA-N 1 1 251.373 3.413 20 30 CGEDMO COC1(C[N@H+]2CCC[C@@](C)(C#N)C2)CCCCCC1 ZINC001204945160 812791201 /nfs/dbraw/zinc/79/12/01/812791201.db2.gz BJQCUXYVYXGPRI-HNNXBMFYSA-N 1 1 264.413 3.351 20 30 CGEDMO Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1F ZINC001205236214 812913607 /nfs/dbraw/zinc/91/36/07/812913607.db2.gz JVTNBQPWHGWXBK-QKDCVEJESA-N 1 1 258.340 3.401 20 30 CGEDMO C[C@@]1(F)CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001205459266 812987090 /nfs/dbraw/zinc/98/70/90/812987090.db2.gz KFHYLIJLFPUGML-OAHLLOKOSA-N 1 1 264.319 3.411 20 30 CGEDMO COCC[C@H]1CCCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001205478937 812989329 /nfs/dbraw/zinc/98/93/29/812989329.db2.gz JBFIJEIXDVTSCK-OAHLLOKOSA-N 1 1 276.355 3.088 20 30 CGEDMO C[C@@H]1CCN(Cc2cccc(Cl)c2C#N)CC[C@H]1C[NH3+] ZINC001205617955 813028970 /nfs/dbraw/zinc/02/89/70/813028970.db2.gz PYPQLLVGEXPQBL-OLZOCXBDSA-N 1 1 291.826 3.018 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC2CCCC2)C1 ZINC001205815031 813090726 /nfs/dbraw/zinc/09/07/26/813090726.db2.gz GGMAEUNVYGMZLF-IUODEOHRSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC2CCCC2)C1 ZINC001205815031 813090729 /nfs/dbraw/zinc/09/07/29/813090729.db2.gz GGMAEUNVYGMZLF-IUODEOHRSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CCC[C@@H]([NH2+]C[C@H](C)CC(C)C)C(=O)OCC ZINC001205849339 813107189 /nfs/dbraw/zinc/10/71/89/813107189.db2.gz OUTIVMFKAFEKHT-ZIAGYGMSSA-N 1 1 255.402 3.156 20 30 CGEDMO C[C@@]1(C[NH3+])CCCN(Cc2c(Cl)cccc2C#N)CC1 ZINC001206310709 813283995 /nfs/dbraw/zinc/28/39/95/813283995.db2.gz AIZQHEKDUFSATA-MRXNPFEDSA-N 1 1 291.826 3.163 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2C[C@H](C)OC3(CCCC3)C2)cc1 ZINC001206545155 813345940 /nfs/dbraw/zinc/34/59/40/813345940.db2.gz SBNDGLKONGSVSA-HNNXBMFYSA-N 1 1 269.388 3.201 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CCCC[C@](C)(C[NH3+])C2)c1[O-] ZINC001206548123 813346804 /nfs/dbraw/zinc/34/68/04/813346804.db2.gz HBAQULIOQDJUEX-GOSISDBHSA-N 1 1 288.435 3.072 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2CCCC[C@](C)(C[NH3+])C2)c1[O-] ZINC001206548123 813346815 /nfs/dbraw/zinc/34/68/15/813346815.db2.gz HBAQULIOQDJUEX-GOSISDBHSA-N 1 1 288.435 3.072 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)/C=C(\C)CC)C1 ZINC001206936056 813459466 /nfs/dbraw/zinc/45/94/66/813459466.db2.gz IOUZITLAJNXYFC-YFEHBSAISA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C(C)C)C1 ZINC001207131621 813494424 /nfs/dbraw/zinc/49/44/24/813494424.db2.gz GRMWCCJNVCYCBH-OWCLPIDISA-N 1 1 294.483 3.460 20 30 CGEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[C@H](C)CC)C1 ZINC001207138731 813495586 /nfs/dbraw/zinc/49/55/86/813495586.db2.gz RCUCWRGSARYAFV-BRWVUGGUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC(C)(C)C=C)C1 ZINC001207165357 813502560 /nfs/dbraw/zinc/50/25/60/813502560.db2.gz KOOBYOYYGJEZJP-OWCLPIDISA-N 1 1 292.467 3.380 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](CCCC(C)C)C[C@H]1C ZINC001207165349 813502693 /nfs/dbraw/zinc/50/26/93/813502693.db2.gz KLUMAMHEWUBUFS-HZPDHXFCSA-N 1 1 294.483 3.461 20 30 CGEDMO N#C[C@@H]1CC[N@H+](C[C@H]2C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001207192161 813511193 /nfs/dbraw/zinc/51/11/93/813511193.db2.gz PDWFQJUADPNVLD-NJZAAPMLSA-N 1 1 260.768 3.289 20 30 CGEDMO C=CCN(CC[N@H+](C)C1CCCC1)C(=O)OC(C)(C)C ZINC001207205234 813514961 /nfs/dbraw/zinc/51/49/61/813514961.db2.gz HVFAHYMYBYDTOV-UHFFFAOYSA-N 1 1 282.428 3.284 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(CC(C)C)CC2)C1 ZINC001207470998 813570823 /nfs/dbraw/zinc/57/08/23/813570823.db2.gz VIDFUBBQYZKXAA-HZPDHXFCSA-N 1 1 292.467 3.215 20 30 CGEDMO C[C@H](C[N@H+]1CCC2SC(=O)C=C2C1)c1ccccc1 ZINC001207903666 813667485 /nfs/dbraw/zinc/66/74/85/813667485.db2.gz PPNVLAHCRKJWIN-IUODEOHRSA-N 1 1 273.401 3.064 20 30 CGEDMO C=C(C)[C@@H]1CC=C(CN2CCC[N@H+]3CCC[C@H]3C2)CC1 ZINC001208177747 813729218 /nfs/dbraw/zinc/72/92/18/813729218.db2.gz YSQNXBALVVKELK-MSOLQXFVSA-N 1 1 274.452 3.459 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCN(CC)[C@H](C)C2)CC1 ZINC001208179139 813730860 /nfs/dbraw/zinc/73/08/60/813730860.db2.gz MINSAZWNILVJRZ-NVXWUHKLSA-N 1 1 262.441 3.315 20 30 CGEDMO C=C(C)[C@@H]1CC=C(CN2CC[N@@H+](CC)[C@H](C)C2)CC1 ZINC001208179139 813730864 /nfs/dbraw/zinc/73/08/64/813730864.db2.gz MINSAZWNILVJRZ-NVXWUHKLSA-N 1 1 262.441 3.315 20 30 CGEDMO C=C(C)[C@@H]1CC=C(CN2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC001208179139 813730869 /nfs/dbraw/zinc/73/08/69/813730869.db2.gz MINSAZWNILVJRZ-NVXWUHKLSA-N 1 1 262.441 3.315 20 30 CGEDMO COC(C)(C)CCC[C@H](C)CC[N@@H+](C)CCC#N ZINC001208202713 813744509 /nfs/dbraw/zinc/74/45/09/813744509.db2.gz MXTNUQHDLQMDKA-AWEZNQCLSA-N 1 1 254.418 3.453 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCCC(C)C)C[C@H]1C ZINC001208294774 813752537 /nfs/dbraw/zinc/75/25/37/813752537.db2.gz QEZYMYSVTODZLB-HZPDHXFCSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCCCC)C[C@H]1C ZINC001208390773 813758530 /nfs/dbraw/zinc/75/85/30/813758530.db2.gz CWXFALCKZZJETG-BZUAXINKSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C(C)C)CC2)C1 ZINC001208550565 813766447 /nfs/dbraw/zinc/76/64/47/813766447.db2.gz NEYRBPBNZATIRF-OWCLPIDISA-N 1 1 292.467 3.214 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC/C=C/c2ccccc2)C1 ZINC001208575678 813767579 /nfs/dbraw/zinc/76/75/79/813767579.db2.gz SUMGTVUXWVDZFZ-RUZKMCDWSA-N 1 1 298.430 3.103 20 30 CGEDMO C=CCCCC[N@H+](C)C[C@H]1COC2(CCCCC2)O1 ZINC001208642861 813780571 /nfs/dbraw/zinc/78/05/71/813780571.db2.gz XVMJVYGRAHYOCQ-HNNXBMFYSA-N 1 1 267.413 3.350 20 30 CGEDMO C=CCN1CC[C@@]2(CCC[N@@H+](CCC3CCCC3)C2)C1=O ZINC001208693217 813799067 /nfs/dbraw/zinc/79/90/67/813799067.db2.gz LEDGDVVPNBJYIO-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+](CC/C=C\CC)C2 ZINC001208725172 813815202 /nfs/dbraw/zinc/81/52/02/813815202.db2.gz HXWRQMIKKNGYKC-OOFWQKGWSA-N 1 1 290.451 3.376 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](CCCc2ccc(F)cc2)CC1 ZINC001208770958 813840370 /nfs/dbraw/zinc/84/03/70/813840370.db2.gz PYFPCFBYMTYMGP-OAHLLOKOSA-N 1 1 260.356 3.384 20 30 CGEDMO C[N@@H+]1CC=C(Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC001208836959 813858842 /nfs/dbraw/zinc/85/88/42/813858842.db2.gz DRDDVOOMBYDTGE-UHFFFAOYSA-N 1 1 281.281 3.208 20 30 CGEDMO C[N@@H+]1CC=C(Nc2c(Cl)cc(C#N)cc2Cl)CC1 ZINC001208837920 813862652 /nfs/dbraw/zinc/86/26/52/813862652.db2.gz KWABHNQWJXRZOS-UHFFFAOYSA-N 1 1 282.174 3.496 20 30 CGEDMO Cc1nc2c(s1)C[N@@H+](CCCc1cccc(C#N)c1)CC2 ZINC001208853842 813867348 /nfs/dbraw/zinc/86/73/48/813867348.db2.gz YRHCPPDRFKLHRD-UHFFFAOYSA-N 1 1 297.427 3.314 20 30 CGEDMO C[N@@H+](CCCc1ccc(C#N)cc1)C[C@@H]1CC1(C)C ZINC001208862931 813872244 /nfs/dbraw/zinc/87/22/44/813872244.db2.gz SKJYFUFTQHQQDE-INIZCTEOSA-N 1 1 256.393 3.469 20 30 CGEDMO N#Cc1ccc(CCC[N@@H+]2CCC(=O)[C@H]3CCCC[C@H]32)cc1 ZINC001208860498 813872416 /nfs/dbraw/zinc/87/24/16/813872416.db2.gz NFGIYQPDCGFMBJ-ZWKOTPCHSA-N 1 1 296.414 3.324 20 30 CGEDMO C[C@@H](C[N@@H+]1CCc2ccc(C#N)cc2C1)C(F)(F)F ZINC001208896327 813886328 /nfs/dbraw/zinc/88/63/28/813886328.db2.gz SWYOYMGHYYAMIU-JTQLQIEISA-N 1 1 268.282 3.115 20 30 CGEDMO C[C@@H](C[N@H+]1CCc2ccc(C#N)cc2C1)C(F)(F)F ZINC001208896327 813886338 /nfs/dbraw/zinc/88/63/38/813886338.db2.gz SWYOYMGHYYAMIU-JTQLQIEISA-N 1 1 268.282 3.115 20 30 CGEDMO N#Cc1ccc(CC[NH+]2CC(OCc3ccccc3)C2)cc1 ZINC001208926043 813901261 /nfs/dbraw/zinc/90/12/61/813901261.db2.gz GLQKWGCHHQSXNM-UHFFFAOYSA-N 1 1 292.382 3.002 20 30 CGEDMO C[N@@H+]1CC=C(Nc2ccc(Cl)c(Cl)c2C#N)CC1 ZINC001208931121 813904505 /nfs/dbraw/zinc/90/45/05/813904505.db2.gz XUBNBENCKKSQRT-UHFFFAOYSA-N 1 1 282.174 3.496 20 30 CGEDMO N#C[C@H]1CCC[N@H+](C[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001208951318 813908621 /nfs/dbraw/zinc/90/86/21/813908621.db2.gz BVAHJBUYMNABMZ-PKOBYXMFSA-N 1 1 297.446 3.134 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](C[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001208951318 813908628 /nfs/dbraw/zinc/90/86/28/813908628.db2.gz BVAHJBUYMNABMZ-PKOBYXMFSA-N 1 1 297.446 3.134 20 30 CGEDMO N#C[C@H]1CCCN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208951318 813908631 /nfs/dbraw/zinc/90/86/31/813908631.db2.gz BVAHJBUYMNABMZ-PKOBYXMFSA-N 1 1 297.446 3.134 20 30 CGEDMO N#C[C@H]1CCCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208951318 813908637 /nfs/dbraw/zinc/90/86/37/813908637.db2.gz BVAHJBUYMNABMZ-PKOBYXMFSA-N 1 1 297.446 3.134 20 30 CGEDMO CCCCCCC[N@@H+](C)C[C@@H]1CCCN(C(C)=O)C1 ZINC001208968828 813909748 /nfs/dbraw/zinc/90/97/48/813909748.db2.gz ZZCHCMLKRJGJAZ-INIZCTEOSA-N 1 1 268.445 3.147 20 30 CGEDMO CCCC[N@H+](CCC#N)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC001208991453 813912904 /nfs/dbraw/zinc/91/29/04/813912904.db2.gz MJLTUGKQOFFOGN-CQSZACIVSA-N 1 1 295.427 3.012 20 30 CGEDMO CCCC[N@@H+](CCC#N)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC001208991453 813912910 /nfs/dbraw/zinc/91/29/10/813912910.db2.gz MJLTUGKQOFFOGN-CQSZACIVSA-N 1 1 295.427 3.012 20 30 CGEDMO C=CCN(CC[N@H+]1CCC[C@H]2CCCC[C@H]21)C(=O)OCC ZINC001209021980 813917540 /nfs/dbraw/zinc/91/75/40/813917540.db2.gz HFRXPLWUTHXBOF-HZPDHXFCSA-N 1 1 294.439 3.286 20 30 CGEDMO COCCC[N@@H+](CCC#N)C1CCCCCCC1 ZINC001209049760 813923337 /nfs/dbraw/zinc/92/33/37/813923337.db2.gz CFYDIFCMAAMMKM-UHFFFAOYSA-N 1 1 252.402 3.351 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001209163246 813953571 /nfs/dbraw/zinc/95/35/71/813953571.db2.gz YYTBXSJIRBZJSI-KBPBESRZSA-N 1 1 282.428 3.282 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001209163187 813953835 /nfs/dbraw/zinc/95/38/35/813953835.db2.gz VIUGSXQRCVPXNR-HUUCEWRRSA-N 1 1 294.439 3.141 20 30 CGEDMO C=CCCCC[N@@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001209200060 813962770 /nfs/dbraw/zinc/96/27/70/813962770.db2.gz AIRMSHKWYBRRDP-GHMZBOCLSA-N 1 1 253.283 3.423 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@]2(CCC(=O)N2C)[C@@H]1CC ZINC001209203677 813966709 /nfs/dbraw/zinc/96/67/09/813966709.db2.gz SPEKTOLZMOGLMJ-RDJZCZTQSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@H](c2nc(CC)no2)C1 ZINC001209207130 813967823 /nfs/dbraw/zinc/96/78/23/813967823.db2.gz MPRIDAFTZZZUDJ-ZDUSSCGKSA-N 1 1 263.385 3.168 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccc(F)c(F)c1 ZINC001209244041 813980207 /nfs/dbraw/zinc/98/02/07/813980207.db2.gz ORRPLJQUNYDOPY-ZSOGYDGISA-N 1 1 276.330 3.274 20 30 CGEDMO CCC[N@H+](CCC#N)CCc1cc(F)c(F)cc1F ZINC001209255756 813984164 /nfs/dbraw/zinc/98/41/64/813984164.db2.gz UBCKSASMINRNMO-UHFFFAOYSA-N 1 1 270.298 3.272 20 30 CGEDMO CCC[N@@H+](CCC#N)CCc1cc(F)c(F)cc1F ZINC001209255756 813984169 /nfs/dbraw/zinc/98/41/69/813984169.db2.gz UBCKSASMINRNMO-UHFFFAOYSA-N 1 1 270.298 3.272 20 30 CGEDMO C#CCCC[N@@H+]1CC[C@H](C(=O)OCC)[C@H](c2ccccc2)C1 ZINC001209269362 813990109 /nfs/dbraw/zinc/99/01/09/813990109.db2.gz HBZJBNHCWOEGNH-ROUUACIJSA-N 1 1 299.414 3.069 20 30 CGEDMO CCOC(=O)CCCCCC[N@H+]1CCC[C@H](CC#N)C1 ZINC001209350056 814001447 /nfs/dbraw/zinc/00/14/47/814001447.db2.gz BWSVYULGUITMIB-OAHLLOKOSA-N 1 1 280.412 3.126 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@H]2[C@@H](CCN2C(=O)C(C)C)C1 ZINC001209425001 814026279 /nfs/dbraw/zinc/02/62/79/814026279.db2.gz YMQAXJMXWBFYFX-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCCC[N@@H+](CC(=O)OC)Cc1ccccc1 ZINC001209429331 814029998 /nfs/dbraw/zinc/02/99/98/814029998.db2.gz YKMADQWLEQCQJE-UHFFFAOYSA-N 1 1 275.392 3.408 20 30 CGEDMO C=CCCCCC[N@H+](CC(=O)OC)Cc1ccccc1 ZINC001209429331 814030006 /nfs/dbraw/zinc/03/00/06/814030006.db2.gz YKMADQWLEQCQJE-UHFFFAOYSA-N 1 1 275.392 3.408 20 30 CGEDMO C=CCCCCCC[N@@H+]1CCC[C@@](F)(CO)CC1 ZINC001209431359 814031440 /nfs/dbraw/zinc/03/14/40/814031440.db2.gz LSUYMTAQTTVQDC-HNNXBMFYSA-N 1 1 257.393 3.309 20 30 CGEDMO C=CCCCCCC[N@H+]1CCc2onc(COC)c2C1 ZINC001209437476 814036668 /nfs/dbraw/zinc/03/66/68/814036668.db2.gz MEZGAAFATHVIKD-UHFFFAOYSA-N 1 1 278.396 3.316 20 30 CGEDMO C=CCCCCCC[N@@H+]1CC[C@H](CC(=O)OC)C1 ZINC001209440829 814040879 /nfs/dbraw/zinc/04/08/79/814040879.db2.gz PPWHKXFTCIGSNQ-CQSZACIVSA-N 1 1 253.386 3.008 20 30 CGEDMO Cc1[nH+]ccn1Cc1ccc(Nc2ccc(C#N)nc2)cc1 ZINC001209593710 814094914 /nfs/dbraw/zinc/09/49/14/814094914.db2.gz HHYOENGXLJJGEW-UHFFFAOYSA-N 1 1 289.342 3.250 20 30 CGEDMO Cc1cc(C#N)cc(Nc2[nH+]c3ccccc3n2C)c1 ZINC001210387431 814437187 /nfs/dbraw/zinc/43/71/87/814437187.db2.gz FBKMYPWIGLSUSB-UHFFFAOYSA-N 1 1 262.316 3.497 20 30 CGEDMO CCCCCCc1nnc([C@@H]([NH3+])Cc2ccccc2C#N)o1 ZINC001217717071 815947671 /nfs/dbraw/zinc/94/76/71/815947671.db2.gz FCFLIFZRXUJWBM-HNNXBMFYSA-N 1 1 298.390 3.307 20 30 CGEDMO C=CC(C)(C)CC(=O)N1C[C@H]2CC[N@H+](CCC(C)C)C[C@H]21 ZINC001221576958 816321340 /nfs/dbraw/zinc/32/13/40/816321340.db2.gz SSVXHVCDDRGTHI-HZPDHXFCSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](CCC(C)C)C[C@H]21 ZINC001221760436 816326382 /nfs/dbraw/zinc/32/63/82/816326382.db2.gz GCIDKGGPERABKK-BRWVUGGUSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCCC(C)C)[C@@H]2C1 ZINC001221878615 816331909 /nfs/dbraw/zinc/33/19/09/816331909.db2.gz XYKWOQNKTDWXGJ-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@](C)(CC)CCC)[C@@H]2C1 ZINC001221896958 816332791 /nfs/dbraw/zinc/33/27/91/816332791.db2.gz UWHJXNMULDPLNV-NUJGCVRESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)CC(C)C)[C@@H]2C1 ZINC001221940284 816336504 /nfs/dbraw/zinc/33/65/04/816336504.db2.gz DHTGSFFWGIXMTK-GVDBMIGSSA-N 1 1 292.467 3.168 20 30 CGEDMO C#Cc1ccc(CN2CCCC[C@]3(CCCC[NH2+]C3)C2)cc1 ZINC001222167844 816368330 /nfs/dbraw/zinc/36/83/30/816368330.db2.gz SXOBTLORWSZGFF-FQEVSTJZSA-N 1 1 296.458 3.414 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCCC(C)(C)C)C[C@@H]21 ZINC001222447864 816447705 /nfs/dbraw/zinc/44/77/05/816447705.db2.gz DNUOKTRPPMVUCH-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO CC[N@H+]1CCC[C@@H](OCc2ccc(C(C)(C)C#N)cc2)C1 ZINC001223156598 816579121 /nfs/dbraw/zinc/57/91/21/816579121.db2.gz DTSSBOXHTVDUCE-QGZVFWFLSA-N 1 1 286.419 3.489 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H](C)C2CCC2)CC1 ZINC001223578118 816653398 /nfs/dbraw/zinc/65/33/98/816653398.db2.gz PPWWYAJEGUKUGT-ZDUSSCGKSA-N 1 1 298.858 3.003 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)CC(C)C)C[C@@H]21 ZINC001223778566 816680545 /nfs/dbraw/zinc/68/05/45/816680545.db2.gz PSRQPYKSSSMILW-ZACQAIPSSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCCCOC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001224338965 816782030 /nfs/dbraw/zinc/78/20/30/816782030.db2.gz ZSTDRLDYCQCTIA-SFHVURJKSA-N 1 1 289.419 3.260 20 30 CGEDMO C=CCCCCOC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001224338965 816782034 /nfs/dbraw/zinc/78/20/34/816782034.db2.gz ZSTDRLDYCQCTIA-SFHVURJKSA-N 1 1 289.419 3.260 20 30 CGEDMO CC#CCO[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001224358958 816786118 /nfs/dbraw/zinc/78/61/18/816786118.db2.gz OAYZNSOUIVCWKY-PIIMJCKOSA-N 1 1 269.388 3.222 20 30 CGEDMO C[N@H+]1CCCC[C@@H]1CO[C@@H](CC#N)c1ccccc1 ZINC001224704685 816860700 /nfs/dbraw/zinc/86/07/00/816860700.db2.gz CCSOQUCQQQFXCL-CVEARBPZSA-N 1 1 258.365 3.142 20 30 CGEDMO Cc1c(C)c(O[C@@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)ccc1C#N ZINC001225513638 817081275 /nfs/dbraw/zinc/08/12/75/817081275.db2.gz QLMBPMYLDXAGCE-ALXJQNPVSA-N 1 1 284.403 3.284 20 30 CGEDMO CC(C)(C)[NH+]1CC(Oc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC001226142167 817284514 /nfs/dbraw/zinc/28/45/14/817284514.db2.gz DKYRUIDLGBGYBJ-UHFFFAOYSA-N 1 1 298.308 3.439 20 30 CGEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cccc(Cl)c1C#N)C2 ZINC001227788779 817721325 /nfs/dbraw/zinc/72/13/25/817721325.db2.gz GDIJPTNGGNSWJN-GDNZZTSVSA-N 1 1 276.767 3.216 20 30 CGEDMO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1CCC1=CCCCC1 ZINC001231168777 818049775 /nfs/dbraw/zinc/04/97/75/818049775.db2.gz AOPBCFJZPKNPDC-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)c1ccc(F)cc1 ZINC001231216898 818058929 /nfs/dbraw/zinc/05/89/29/818058929.db2.gz HTJIHMUZPYGZOU-CQSZACIVSA-N 1 1 292.398 3.232 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C1C(C)(C)C1(C)C ZINC001231405055 818092272 /nfs/dbraw/zinc/09/22/72/818092272.db2.gz HEYVRSFIXANQNF-AWEZNQCLSA-N 1 1 292.467 3.168 20 30 CGEDMO C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1C#Cc1ccccc1 ZINC001231577392 818125693 /nfs/dbraw/zinc/12/56/93/818125693.db2.gz UISFUYXKYRWWRA-UZLBHIALSA-N 1 1 291.394 3.042 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CC[C@@H](c3cccnc3)C2)c1 ZINC001231659131 818150816 /nfs/dbraw/zinc/15/08/16/818150816.db2.gz HEJHJBICKLYVBO-GOSISDBHSA-N 1 1 262.356 3.052 20 30 CGEDMO CCCCCCC[N@@H+](C)Cc1ccc(C(=O)OC)[nH]1 ZINC001232075521 818247631 /nfs/dbraw/zinc/24/76/31/818247631.db2.gz DQZFSMPDYNIEJM-UHFFFAOYSA-N 1 1 266.385 3.204 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)c(Cl)c2)[C@](C)(CO)C1 ZINC001232111396 818258480 /nfs/dbraw/zinc/25/84/80/818258480.db2.gz GNBIVJAXJQPWCP-INIZCTEOSA-N 1 1 292.810 3.195 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)cc1Cl ZINC001232111679 818258703 /nfs/dbraw/zinc/25/87/03/818258703.db2.gz GAVMGJQSOKVBKE-BBRMVZONSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)cc1Cl ZINC001232111679 818258708 /nfs/dbraw/zinc/25/87/08/818258708.db2.gz GAVMGJQSOKVBKE-BBRMVZONSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@]3(CCOC3)C2)cc1Cl ZINC001232111667 818258832 /nfs/dbraw/zinc/25/88/32/818258832.db2.gz FTKPUTRPFNRTST-INIZCTEOSA-N 1 1 290.794 3.214 20 30 CGEDMO CC(C)[N@H+]1CCN(Cc2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC001232118164 818259976 /nfs/dbraw/zinc/25/99/76/818259976.db2.gz KAEUXAHXNJTZIQ-ZDUSSCGKSA-N 1 1 291.826 3.126 20 30 CGEDMO N#Cc1ccccc1O[C@@H]1CCC[N@H+](Cc2cnsc2)C1 ZINC001232230118 818285583 /nfs/dbraw/zinc/28/55/83/818285583.db2.gz DPDOATDRQWIIFW-OAHLLOKOSA-N 1 1 299.399 3.058 20 30 CGEDMO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2cnsc2)C1 ZINC001232230118 818285587 /nfs/dbraw/zinc/28/55/87/818285587.db2.gz DPDOATDRQWIIFW-OAHLLOKOSA-N 1 1 299.399 3.058 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1ccc(COC)cc1 ZINC001232299686 818306121 /nfs/dbraw/zinc/30/61/21/818306121.db2.gz CQGSTNAYUUQUIU-UHFFFAOYSA-N 1 1 260.381 3.349 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1ccc(COC)cc1 ZINC001232299686 818306131 /nfs/dbraw/zinc/30/61/31/818306131.db2.gz CQGSTNAYUUQUIU-UHFFFAOYSA-N 1 1 260.381 3.349 20 30 CGEDMO CSc1cc(C)c(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cn1 ZINC001232348278 818323404 /nfs/dbraw/zinc/32/34/04/818323404.db2.gz PRUJACPUIBTHRL-XMQYKBBCSA-N 1 1 287.432 3.379 20 30 CGEDMO COc1cccc([C@@H]2CCC[N@@H+]2Cc2cc(C#N)ccn2)c1 ZINC001232477521 818364420 /nfs/dbraw/zinc/36/44/20/818364420.db2.gz BFAOUACPZIYHAO-SFHVURJKSA-N 1 1 293.370 3.299 20 30 CGEDMO COc1cccc([C@@H]2CCC[N@H+]2Cc2cc(C#N)ccn2)c1 ZINC001232477521 818364428 /nfs/dbraw/zinc/36/44/28/818364428.db2.gz BFAOUACPZIYHAO-SFHVURJKSA-N 1 1 293.370 3.299 20 30 CGEDMO CC1(C)C[N@H+](Cc2ccc(Cl)cc2C#N)[C@@](C)(CO)C1 ZINC001232604721 818393963 /nfs/dbraw/zinc/39/39/63/818393963.db2.gz GZMKSMBKJRIVJP-MRXNPFEDSA-N 1 1 292.810 3.195 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(Cl)cc2C#N)[C@@](C)(CO)C1 ZINC001232604721 818393969 /nfs/dbraw/zinc/39/39/69/818393969.db2.gz GZMKSMBKJRIVJP-MRXNPFEDSA-N 1 1 292.810 3.195 20 30 CGEDMO C=CC[N@@H+](Cc1c[nH]c2ncncc12)C1CCCCC1 ZINC001232658806 818412058 /nfs/dbraw/zinc/41/20/58/818412058.db2.gz HEMSFAZXTVWPLA-UHFFFAOYSA-N 1 1 270.380 3.230 20 30 CGEDMO C[N@H+](Cc1cc(C#N)ccc1[O-])CC1CCCCC1 ZINC001232677172 818416882 /nfs/dbraw/zinc/41/68/82/818416882.db2.gz BPOTVEPOGSIKKU-UHFFFAOYSA-N 1 1 258.365 3.276 20 30 CGEDMO CC[N@@H+](Cc1cccc(F)c1)Cc1cc(C#N)ccc1[O-] ZINC001232678615 818417859 /nfs/dbraw/zinc/41/78/59/818417859.db2.gz KDLZIPGQAQAAME-UHFFFAOYSA-N 1 1 284.334 3.425 20 30 CGEDMO COc1cccc(CC[N@@H+](C)Cc2ccc(C#N)s2)c1 ZINC001232845652 818454502 /nfs/dbraw/zinc/45/45/02/818454502.db2.gz HYTUBPWEXDGUBL-UHFFFAOYSA-N 1 1 286.400 3.303 20 30 CGEDMO COc1cccc(CCC[N@@H+](C)Cc2cccc(C#N)n2)c1 ZINC001232925987 818475574 /nfs/dbraw/zinc/47/55/74/818475574.db2.gz WBNPCQGOBXRTRI-UHFFFAOYSA-N 1 1 295.386 3.026 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@@H](c3ccncc3)C2)c(C#N)c1 ZINC001232966788 818485378 /nfs/dbraw/zinc/48/53/78/818485378.db2.gz WATBRETVSIEFON-QGZVFWFLSA-N 1 1 277.371 3.251 20 30 CGEDMO Cc1cc(C[N@@H+]2CCc3ccc(C#N)cc3C2)cnc1C ZINC001233156670 818529321 /nfs/dbraw/zinc/52/93/21/818529321.db2.gz SPXUXVVSWPSKGN-UHFFFAOYSA-N 1 1 277.371 3.128 20 30 CGEDMO Cc1cc(C[N@H+]2CCc3ccc(C#N)cc3C2)cnc1C ZINC001233156670 818529328 /nfs/dbraw/zinc/52/93/28/818529328.db2.gz SPXUXVVSWPSKGN-UHFFFAOYSA-N 1 1 277.371 3.128 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(O)c(OCC3CC3)c2)C1 ZINC001233229772 818546909 /nfs/dbraw/zinc/54/69/09/818546909.db2.gz OPKKSQRLFJLXHI-CQSZACIVSA-N 1 1 285.387 3.026 20 30 CGEDMO Cc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)cc1O ZINC001233235022 818549295 /nfs/dbraw/zinc/54/92/95/818549295.db2.gz MFZONLJRNQYWAE-UHFFFAOYSA-N 1 1 266.344 3.204 20 30 CGEDMO N#Cc1cccc(Cl)c1OC1CC[NH+](CCF)CC1 ZINC001233548777 818639047 /nfs/dbraw/zinc/63/90/47/818639047.db2.gz YHRZEQIAHLNVBD-UHFFFAOYSA-N 1 1 282.746 3.024 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cn2c(cccc2Cl)n1 ZINC001233599033 818654985 /nfs/dbraw/zinc/65/49/85/818654985.db2.gz DTFAGEQLSXWREJ-UHFFFAOYSA-N 1 1 263.772 3.386 20 30 CGEDMO CC(C)C#CC(=O)N(C)C[C@@H]1CC[N@H+]1CCCC(C)(C)C ZINC001234161463 818794498 /nfs/dbraw/zinc/79/44/98/818794498.db2.gz LNYRHEALLBZRCT-INIZCTEOSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[N@H+](C)CCCNC(=O)[C@@H](CC)CCCC ZINC001234268558 818820930 /nfs/dbraw/zinc/82/09/30/818820930.db2.gz GQYFXAMSQJQYNF-HNNXBMFYSA-N 1 1 268.445 3.217 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CC(C)(C)C=C ZINC001234537806 818877526 /nfs/dbraw/zinc/87/75/26/818877526.db2.gz QZUHLIVVOPNRDB-HOTGVXAUSA-N 1 1 292.467 3.476 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)C(C)C ZINC001234563476 818883112 /nfs/dbraw/zinc/88/31/12/818883112.db2.gz RFHXAAFLNCUOPR-HNNXBMFYSA-N 1 1 280.456 3.168 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(OC)cc2OC(C)C)C1 ZINC001234720201 818921420 /nfs/dbraw/zinc/92/14/20/818921420.db2.gz KIUUKUAAVDYLOL-HNNXBMFYSA-N 1 1 287.403 3.328 20 30 CGEDMO C=CCCC(=O)NCCC[N@H+](C)CCCC(C)(C)C ZINC001235451773 819102679 /nfs/dbraw/zinc/10/26/79/819102679.db2.gz PEDLEYCOWHRWGA-UHFFFAOYSA-N 1 1 268.445 3.217 20 30 CGEDMO C=CCCC(=O)NCCC[N@H+](C)Cc1c(C)cccc1C ZINC001235480937 819107755 /nfs/dbraw/zinc/10/77/55/819107755.db2.gz PVZYWHIFCKAVMZ-UHFFFAOYSA-N 1 1 288.435 3.208 20 30 CGEDMO CCC[N@@H+](Cc1ccccc1CC#N)C1CCOCC1 ZINC001235524215 819114201 /nfs/dbraw/zinc/11/42/01/819114201.db2.gz COIRSCNFRCEJJA-UHFFFAOYSA-N 1 1 272.392 3.144 20 30 CGEDMO COc1ccccc1C[N@@H+](C)Cc1ccccc1CC#N ZINC001235520214 819114302 /nfs/dbraw/zinc/11/43/02/819114302.db2.gz ZKUVYWAHRBPJJK-UHFFFAOYSA-N 1 1 280.371 3.393 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1ccccc1CC#N ZINC001235517516 819114745 /nfs/dbraw/zinc/11/47/45/819114745.db2.gz LCDAAAJGPGWTID-UHFFFAOYSA-N 1 1 255.365 3.268 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1ccccc1CC#N ZINC001235517516 819114748 /nfs/dbraw/zinc/11/47/48/819114748.db2.gz LCDAAAJGPGWTID-UHFFFAOYSA-N 1 1 255.365 3.268 20 30 CGEDMO N#CCc1ccccc1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC001235523170 819114953 /nfs/dbraw/zinc/11/49/53/819114953.db2.gz MCIKBUWERQEAOI-SFHVURJKSA-N 1 1 277.371 3.485 20 30 CGEDMO N#CCc1ccccc1C[N@H+]1CCC[C@H]1Cc1ccccn1 ZINC001235523760 819115010 /nfs/dbraw/zinc/11/50/10/819115010.db2.gz UGMKINHOWAZYBT-IBGZPJMESA-N 1 1 291.398 3.355 20 30 CGEDMO N#C[C@@H]1CC[N@H+](Cc2ccccc2-c2ccncc2)C1 ZINC001235625911 819127870 /nfs/dbraw/zinc/12/78/70/819127870.db2.gz HOZNHAOQWVWIHF-AWEZNQCLSA-N 1 1 263.344 3.094 20 30 CGEDMO N#C[C@@H]1CC[N@@H+](Cc2ccccc2-c2ccncc2)C1 ZINC001235625911 819127872 /nfs/dbraw/zinc/12/78/72/819127872.db2.gz HOZNHAOQWVWIHF-AWEZNQCLSA-N 1 1 263.344 3.094 20 30 CGEDMO C=CCCCCCCCC[N@H+]1CCNC2(CC2)C1 ZINC001235931687 819228816 /nfs/dbraw/zinc/22/88/16/819228816.db2.gz FCEAWZPGWRFYQS-UHFFFAOYSA-N 1 1 250.430 3.341 20 30 CGEDMO C=CCCCCCCCCN1CC[NH2+]C2(CC2)C1 ZINC001235931687 819228820 /nfs/dbraw/zinc/22/88/20/819228820.db2.gz FCEAWZPGWRFYQS-UHFFFAOYSA-N 1 1 250.430 3.341 20 30 CGEDMO CCc1cc(C[N@H+]2CCc3c(N)cccc3C2)ccc1C#N ZINC001236369321 819439188 /nfs/dbraw/zinc/43/91/88/819439188.db2.gz ZGXSVOBMLISMLD-UHFFFAOYSA-N 1 1 291.398 3.261 20 30 CGEDMO C=CCCCCCC[N@H+](CCOCC)C1CC[NH2+]CC1 ZINC001236459936 819485832 /nfs/dbraw/zinc/48/58/32/819485832.db2.gz IHMFGRPVUMUZIG-UHFFFAOYSA-N 1 1 282.472 3.213 20 30 CGEDMO COc1ccc(C#N)cc1-c1ccc2c(c1)CC[N@H+](C)C2 ZINC001236543578 819530169 /nfs/dbraw/zinc/53/01/69/819530169.db2.gz ADVNHHPCWDNWHJ-UHFFFAOYSA-N 1 1 278.355 3.222 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236837102 819617312 /nfs/dbraw/zinc/61/73/12/819617312.db2.gz NPWQLEIQSIOEBB-QGZVFWFLSA-N 1 1 266.344 3.281 20 30 CGEDMO C=CCCCCCCN1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237383457 819737508 /nfs/dbraw/zinc/73/75/08/819737508.db2.gz PFRYTSGMCFLULE-HZPDHXFCSA-N 1 1 250.430 3.197 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2cc(C#N)c(F)cc2F)[C@H]1C ZINC001237525256 819771918 /nfs/dbraw/zinc/77/19/18/819771918.db2.gz CEWXDLLFSIAVFC-MNOVXSKESA-N 1 1 264.319 3.457 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CC3CCC2CC3)c(F)cc1F ZINC001237526737 819771986 /nfs/dbraw/zinc/77/19/86/819771986.db2.gz FBAQZQMZJIHZCC-UHFFFAOYSA-N 1 1 262.303 3.211 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC3CCC2CC3)c(F)cc1F ZINC001237526737 819771993 /nfs/dbraw/zinc/77/19/93/819771993.db2.gz FBAQZQMZJIHZCC-UHFFFAOYSA-N 1 1 262.303 3.211 20 30 CGEDMO N#CCC1C[NH+](Cc2cccc(-c3ccccc3)n2)C1 ZINC001237542642 819775701 /nfs/dbraw/zinc/77/57/01/819775701.db2.gz MRKNBEOHQVFFNH-UHFFFAOYSA-N 1 1 263.344 3.094 20 30 CGEDMO C=CCC[N@H+](Cc1cncn1CC)Cc1ccccc1 ZINC001237589246 819782829 /nfs/dbraw/zinc/78/28/29/819782829.db2.gz ARYCLFNHJZIKOE-UHFFFAOYSA-N 1 1 269.392 3.481 20 30 CGEDMO CC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238190514 819951019 /nfs/dbraw/zinc/95/10/19/819951019.db2.gz DDSBNBYQACHNNI-ZDUSSCGKSA-N 1 1 276.767 3.013 20 30 CGEDMO CC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238190514 819951026 /nfs/dbraw/zinc/95/10/26/819951026.db2.gz DDSBNBYQACHNNI-ZDUSSCGKSA-N 1 1 276.767 3.013 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2cncc(C3CC3)c2)CC1 ZINC001238189582 819951203 /nfs/dbraw/zinc/95/12/03/819951203.db2.gz OGANAYMMPANIMR-CYBMUJFWSA-N 1 1 255.365 3.085 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)ccc1Cl ZINC001238189125 819951320 /nfs/dbraw/zinc/95/13/20/819951320.db2.gz MGAJVJYXUOYRSB-CJNGLKHVSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)ccc1Cl ZINC001238189125 819951328 /nfs/dbraw/zinc/95/13/28/819951328.db2.gz MGAJVJYXUOYRSB-CJNGLKHVSA-N 1 1 290.794 3.213 20 30 CGEDMO C[C@H]1C[C@H]2C[N@@H+](Cc3ccc(Cl)c(C#N)c3)CC[C@H]2O1 ZINC001238193509 819953098 /nfs/dbraw/zinc/95/30/98/819953098.db2.gz ZVOWMFIYWZRXEG-HZUKXOBISA-N 1 1 290.794 3.211 20 30 CGEDMO CC1(C)C[N@H+](Cc2ccc(Cl)c(C#N)c2)CCCO1 ZINC001238194936 819953418 /nfs/dbraw/zinc/95/34/18/819953418.db2.gz XFTLVMLSCWPYCT-UHFFFAOYSA-N 1 1 278.783 3.213 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(Cl)c(C#N)c2)CCCO1 ZINC001238194936 819953423 /nfs/dbraw/zinc/95/34/23/819953423.db2.gz XFTLVMLSCWPYCT-UHFFFAOYSA-N 1 1 278.783 3.213 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@@](C)(F)CC2)ccc1C#N ZINC001238411015 819987549 /nfs/dbraw/zinc/98/75/49/819987549.db2.gz WYOFFJMRWDFZAU-MRXNPFEDSA-N 1 1 276.355 3.281 20 30 CGEDMO Cc1cc(C[N@@H+]2CCC[C@@H](C#N)CC2)ncc1Cl ZINC001238418873 819989615 /nfs/dbraw/zinc/98/96/15/819989615.db2.gz SEPKGWREEBMFDK-GFCCVEGCSA-N 1 1 263.772 3.169 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@@H](C#N)CC2)ncc1Cl ZINC001238418873 819989623 /nfs/dbraw/zinc/98/96/23/819989623.db2.gz SEPKGWREEBMFDK-GFCCVEGCSA-N 1 1 263.772 3.169 20 30 CGEDMO CCc1cc(C[N@@H+](C)Cc2cccnc2C)ccc1C#N ZINC001238769192 820112854 /nfs/dbraw/zinc/11/28/54/820112854.db2.gz PTYMUBPAYYYUKX-UHFFFAOYSA-N 1 1 279.387 3.456 20 30 CGEDMO CCc1cc(C[N@H+]2CC[C@@H](OC)C[C@H]2C)ccc1C#N ZINC001238769911 820113293 /nfs/dbraw/zinc/11/32/93/820113293.db2.gz FHTDFSRJOIPKAW-CXAGYDPISA-N 1 1 272.392 3.120 20 30 CGEDMO C[N@H+]1CCc2c(F)cc(-c3ccccc3OCC#N)cc2C1 ZINC001243587660 823457394 /nfs/dbraw/zinc/45/73/94/823457394.db2.gz AKMFJCAIMGNPIT-UHFFFAOYSA-N 1 1 296.345 3.383 20 30 CGEDMO C[N@H+]1CC[C@H](c2ccc(-c3ccc(C#N)nc3)cc2)C1 ZINC001241437251 821830553 /nfs/dbraw/zinc/83/05/53/821830553.db2.gz AVWIRFSJIHSOJJ-INIZCTEOSA-N 1 1 263.344 3.039 20 30 CGEDMO CC1(C)CC(=O)C=C(c2cc(-n3ccnc3)cc[nH+]2)C1 ZINC001242314939 822949130 /nfs/dbraw/zinc/94/91/30/822949130.db2.gz JUEVYWBQTUGLNT-UHFFFAOYSA-N 1 1 267.332 3.040 20 30 CGEDMO C[N@H+]1CCc2ccc(-c3ccc(F)cc3C#N)cc2C1 ZINC001242584273 823044678 /nfs/dbraw/zinc/04/46/78/823044678.db2.gz PVTXTQVGSGQMJF-UHFFFAOYSA-N 1 1 266.319 3.352 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@H](NC(=O)/C(C)=C/C)C(C)(C)C1 ZINC001330184631 935274794 /nfs/dbraw/zinc/27/47/94/935274794.db2.gz PFOVIVHDBYCHLE-DMUBJSPUSA-N 1 1 278.440 3.134 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CCC1=NOC(C)(C)C ZINC001341307270 936433885 /nfs/dbraw/zinc/43/38/85/936433885.db2.gz FCZVYFFJBHKGEG-CYBMUJFWSA-N 1 1 275.396 3.095 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1ccc(C(=O)N2CCCC2)cc1 ZINC001342386866 936466382 /nfs/dbraw/zinc/46/63/82/936466382.db2.gz MOBGDLACPCRTFG-KRWDZBQOSA-N 1 1 284.403 3.073 20 30 CGEDMO C#CC[N@H+](C[C@@H](O)Cc1ccc2ccccc2c1)CC1CC1 ZINC001344338087 936530038 /nfs/dbraw/zinc/53/00/38/936530038.db2.gz OQIVPAYGZDXUCF-FQEVSTJZSA-N 1 1 293.410 3.088 20 30 CGEDMO C=C(CC(C)C)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC001346180346 936841043 /nfs/dbraw/zinc/84/10/43/936841043.db2.gz NWMWOTUXWIDBPX-MRXNPFEDSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](C[C@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC001349646787 936955472 /nfs/dbraw/zinc/95/54/72/936955472.db2.gz OGNSOWQWQLAIQM-KURKYZTESA-N 1 1 287.403 3.184 20 30 CGEDMO C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C=C1CCC1 ZINC001480316132 937046067 /nfs/dbraw/zinc/04/60/67/937046067.db2.gz ODQXMTNGEAAGII-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC001352860329 937051774 /nfs/dbraw/zinc/05/17/74/937051774.db2.gz AHUOAZRQXSATGK-CYBMUJFWSA-N 1 1 270.376 3.179 20 30 CGEDMO C=CCCCCC[N@H+]1CCCN(c2ccccn2)CC1 ZINC000193556144 926677983 /nfs/dbraw/zinc/67/79/83/926677983.db2.gz VJJGPHBYGIHPAA-UHFFFAOYSA-N 1 1 273.424 3.340 20 30 CGEDMO C=C(C)CC[N@H+](C)CCNC(=O)[C@]1(C)CCC[C@@H]1CC ZINC001480879784 926711510 /nfs/dbraw/zinc/71/15/10/926711510.db2.gz SGZKJMCYTHLOIH-DOTOQJQBSA-N 1 1 280.456 3.217 20 30 CGEDMO CCC[C@@]1(CO)CCC[N@H+]1CCCCC1(C#N)CCC1 ZINC001354714413 937110924 /nfs/dbraw/zinc/11/09/24/937110924.db2.gz QCXPQXXXFZYQII-KRWDZBQOSA-N 1 1 278.440 3.478 20 30 CGEDMO C=CCCC[N@H+](CC)CCNC(=O)c1ccc(Cl)cc1 ZINC001481013279 926858141 /nfs/dbraw/zinc/85/81/41/926858141.db2.gz PLEFMJXOGCPBOC-UHFFFAOYSA-N 1 1 294.826 3.358 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H]1CNC(=O)C1CCC1 ZINC001481022816 926861509 /nfs/dbraw/zinc/86/15/09/926861509.db2.gz UDLVKUFFKZRNJL-INIZCTEOSA-N 1 1 280.456 3.338 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C[C@@H](C)CCC ZINC001481030780 926865992 /nfs/dbraw/zinc/86/59/92/926865992.db2.gz MKMGRRKNIIHHNB-JSGCOSHPSA-N 1 1 286.847 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H](C)CCC ZINC001481030780 926865999 /nfs/dbraw/zinc/86/59/99/926865999.db2.gz MKMGRRKNIIHHNB-JSGCOSHPSA-N 1 1 286.847 3.146 20 30 CGEDMO C=C(C)CC[N@@H+](CCC)CCNC(=O)C1C=CC=CC=C1 ZINC001481137322 926894640 /nfs/dbraw/zinc/89/46/40/926894640.db2.gz JXEGNVNYQRYMDT-UHFFFAOYSA-N 1 1 288.435 3.079 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)c1ccoc1C(C)C)C1CC1 ZINC001481199568 926907157 /nfs/dbraw/zinc/90/71/57/926907157.db2.gz ISTRGILTSHCMCQ-UHFFFAOYSA-N 1 1 290.407 3.173 20 30 CGEDMO C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(CC)(CC)CC)C1 ZINC001481501928 927006175 /nfs/dbraw/zinc/00/61/75/927006175.db2.gz HGPVIVBCCLOSGL-INIZCTEOSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCN(C(=O)CCCC2CCCC2)C1 ZINC001481510068 927008786 /nfs/dbraw/zinc/00/87/86/927008786.db2.gz SNKKWYBPOBJNGS-KRWDZBQOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC001481517974 927011488 /nfs/dbraw/zinc/01/14/88/927011488.db2.gz CFRPAKWPGWUGMM-MRXNPFEDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CCC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC001481524430 927014842 /nfs/dbraw/zinc/01/48/42/927014842.db2.gz SJFJADIACHVWSH-AEFFLSMTSA-N 1 1 298.430 3.221 20 30 CGEDMO C=CCCC(=O)N(C)[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001481722561 927075747 /nfs/dbraw/zinc/07/57/47/927075747.db2.gz WZTKOEUMGYNEAS-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)C2(CC)CCCC2)C1 ZINC001481747826 927078394 /nfs/dbraw/zinc/07/83/94/927078394.db2.gz MVVXKABMZLBCKI-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C)CC(C)C)C1 ZINC001481747247 927078878 /nfs/dbraw/zinc/07/88/78/927078878.db2.gz NYRYZDMJZYBJKY-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO CC(C)C#CC(=O)N1CCC[C@@H]1C[N@H+](C)CCCC(C)C ZINC001505429045 927280965 /nfs/dbraw/zinc/28/09/65/927280965.db2.gz KVGXIMCRLMVAGB-QGZVFWFLSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)CCN(C)C(=O)C1(CC)CCC1 ZINC001482619802 927331188 /nfs/dbraw/zinc/33/11/88/927331188.db2.gz FIFQCXLSORIAMU-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CC2CCCC2)C1 ZINC001482657275 927340541 /nfs/dbraw/zinc/34/05/41/927340541.db2.gz KZIZQTOCKSEZRX-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)C[C@H]1CCO[C@H]1C ZINC001473137456 937164200 /nfs/dbraw/zinc/16/42/00/937164200.db2.gz WFNAPIIBFXXUQK-DOTOQJQBSA-N 1 1 259.393 3.142 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)C[C@H]1CCCCC1(C)C ZINC001483709430 927582643 /nfs/dbraw/zinc/58/26/43/927582643.db2.gz XRIBUSOZTXVSBG-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)/C=C(/C)CC)CC2)C1 ZINC001483798977 927624802 /nfs/dbraw/zinc/62/48/02/927624802.db2.gz IYAVLIJDLLQMGC-AKMXKPQHSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@]2(CC[N@H+](CC(C)C)C2)C1 ZINC001483843741 927631304 /nfs/dbraw/zinc/63/13/04/927631304.db2.gz XIBSAEBUFSQECR-SFHVURJKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@H](C)CC)C2)C1 ZINC001483838829 927635032 /nfs/dbraw/zinc/63/50/32/927635032.db2.gz MNBQIEUAYWZHAX-FUHWJXTLSA-N 1 1 292.467 3.313 20 30 CGEDMO C#CCCCCC(=O)N(C)C1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC001483859987 927635938 /nfs/dbraw/zinc/63/59/38/927635938.db2.gz IDXCKICLDAEQTF-INIZCTEOSA-N 1 1 298.430 3.084 20 30 CGEDMO C=CC(C)(C)C(=O)N(C)C1C[NH+](CCCCCCC)C1 ZINC001483875167 927637544 /nfs/dbraw/zinc/63/75/44/927637544.db2.gz MLHLDFRZAWIXMS-UHFFFAOYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)C2(F)CCCC2)C1 ZINC001484050622 927666734 /nfs/dbraw/zinc/66/67/34/927666734.db2.gz IEUDZQCIOSLACT-ZBFHGGJFSA-N 1 1 296.430 3.204 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)C2CC3(CC3)C2)C1 ZINC001484058152 927670304 /nfs/dbraw/zinc/67/03/04/927670304.db2.gz PVZUZWBTHGGWET-RHSMWYFYSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[C@H](C)CC)C2 ZINC001484390155 927700439 /nfs/dbraw/zinc/70/04/39/927700439.db2.gz JEZSUQFDYFWYDW-WCXIOVBPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CCC[N@@H+](C/C=C\Cl)CC1 ZINC001484715688 927741753 /nfs/dbraw/zinc/74/17/53/927741753.db2.gz VCADXGINFSDLHI-PIZKADEWSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CCC[N@H+](CCCC)CC1 ZINC001484721352 927745550 /nfs/dbraw/zinc/74/55/50/927745550.db2.gz GBIFMLRJKVWUCV-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)c1ccoc1CC ZINC001484740246 927748106 /nfs/dbraw/zinc/74/81/06/927748106.db2.gz BAXKPUZPLDJTJD-UHFFFAOYSA-N 1 1 292.423 3.202 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)/C(C)=C/C)C(C)(C)C1 ZINC001484931120 927775222 /nfs/dbraw/zinc/77/52/22/927775222.db2.gz DZPAUNAVNUFIAC-KEQVLUGWSA-N 1 1 278.440 3.136 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](NC(=O)CCCCCCCC)C[C@H]1C ZINC001484986023 927780912 /nfs/dbraw/zinc/78/09/12/927780912.db2.gz NWGHQRPXAMDEPP-SJORKVTESA-N 1 1 292.467 3.339 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C(C)C)C[C@H]1C ZINC001484984037 927781192 /nfs/dbraw/zinc/78/11/92/927781192.db2.gz YJTRHERSVVBMND-CABCVRRESA-N 1 1 280.456 3.214 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)CCCCCCCC)C[C@@H]1C ZINC001484986020 927781639 /nfs/dbraw/zinc/78/16/39/927781639.db2.gz NWGHQRPXAMDEPP-DLBZAZTESA-N 1 1 292.467 3.339 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC1CCN(C(=O)/C(C)=C\C)CC1 ZINC001485030272 927790296 /nfs/dbraw/zinc/79/02/96/927790296.db2.gz UXXBMLVQFZSIOU-UUASQNMZSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)CC1CCCCCC1 ZINC001485068192 927800621 /nfs/dbraw/zinc/80/06/21/927800621.db2.gz AEQAMNPFXHYVIX-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)CNC(=O)CC/C=C/c1ccccc1 ZINC001485352494 927851670 /nfs/dbraw/zinc/85/16/70/927851670.db2.gz ZWYZQPJQEBSAGU-RCLKMUNOSA-N 1 1 286.419 3.103 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C(C)=C1CCCC1 ZINC001485477085 927874528 /nfs/dbraw/zinc/87/45/28/927874528.db2.gz FGGVHZAQXLXGMN-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)/C(C)=C/CC ZINC001485474685 927877054 /nfs/dbraw/zinc/87/70/54/927877054.db2.gz RXFZAORWGQAYCV-AAGJOFLKSA-N 1 1 278.440 3.280 20 30 CGEDMO C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[C@@H](C)CC ZINC001485482792 927880540 /nfs/dbraw/zinc/88/05/40/927880540.db2.gz PJTKLTYLOSZPEN-DLBZAZTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)Cc1ncccc1F ZINC001474383463 937205474 /nfs/dbraw/zinc/20/54/74/937205474.db2.gz ABWABOLFHXGNDB-UHFFFAOYSA-N 1 1 270.351 3.451 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1ncccc1F ZINC001474383463 937205476 /nfs/dbraw/zinc/20/54/76/937205476.db2.gz ABWABOLFHXGNDB-UHFFFAOYSA-N 1 1 270.351 3.451 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCCCC)C[C@H]21 ZINC001485612612 927893239 /nfs/dbraw/zinc/89/32/39/927893239.db2.gz QVAQIETWADCLCU-PHZGNYQRSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)CCCCC)[C@@H]2C1 ZINC001485626437 927895709 /nfs/dbraw/zinc/89/57/09/927895709.db2.gz ILZLDTDMGLDJOD-PHZGNYQRSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)C=C(CC)CC)C[C@@]2(C)C1 ZINC001485667352 927899413 /nfs/dbraw/zinc/89/94/13/927899413.db2.gz GDENTZHLYLIYEO-HDICACEKSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)/C(C)=C\CC)CC1 ZINC001485752813 927911816 /nfs/dbraw/zinc/91/18/16/927911816.db2.gz BQOWLDYXZPYSBZ-DHDCSXOGSA-N 1 1 278.440 3.232 20 30 CGEDMO C#CC[N@H+](C)C1CCN(C(=O)CCCCCCCC)CC1 ZINC001485766164 927918261 /nfs/dbraw/zinc/91/82/61/927918261.db2.gz AMLLIOSFNRPEIC-UHFFFAOYSA-N 1 1 292.467 3.293 20 30 CGEDMO CNc1ccc(C)cc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001474625271 937207747 /nfs/dbraw/zinc/20/77/47/937207747.db2.gz LKVFEISSZAUVEE-AWEZNQCLSA-N 1 1 257.381 3.162 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)CC(C)C)[C@H]1C ZINC001486184156 927997450 /nfs/dbraw/zinc/99/74/50/927997450.db2.gz QSXZGQBKNZXIMN-HUUCEWRRSA-N 1 1 280.456 3.214 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)c1cc2cc(C)ccc2[nH]1 ZINC001493000618 928065115 /nfs/dbraw/zinc/06/51/15/928065115.db2.gz FQOFVLOIASJFJX-UHFFFAOYSA-N 1 1 299.418 3.104 20 30 CGEDMO CNc1ccc(NC23CCC(C#N)(CC2)CC3)c[nH+]1 ZINC001169751049 928099370 /nfs/dbraw/zinc/09/93/70/928099370.db2.gz UYIWUSIOYGVHDI-UHFFFAOYSA-N 1 1 256.353 3.152 20 30 CGEDMO C=CC[N@H+]1CCCN(C(=O)CCCC2CCCCC2)CC1 ZINC001198027570 928270036 /nfs/dbraw/zinc/27/00/36/928270036.db2.gz XZTUIGZLJVREBY-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)C(CC(C)C)CC(C)C ZINC001488699483 928294969 /nfs/dbraw/zinc/29/49/69/928294969.db2.gz QOPJRDPFIUFOQY-KRWDZBQOSA-N 1 1 294.483 3.414 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(CC(C)C)CC(C)C ZINC001488699483 928294981 /nfs/dbraw/zinc/29/49/81/928294981.db2.gz QOPJRDPFIUFOQY-KRWDZBQOSA-N 1 1 294.483 3.414 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC[C@H]([N@@H+](C)CC2CCC2)C1 ZINC001480733774 937236078 /nfs/dbraw/zinc/23/60/78/937236078.db2.gz SMEYLLNRAVUFOI-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+](C)CCCNC(=O)c1c[nH]c2ccccc21 ZINC001490222802 928335726 /nfs/dbraw/zinc/33/57/26/928335726.db2.gz SWVLPDRXZMQIDS-UHFFFAOYSA-N 1 1 299.418 3.186 20 30 CGEDMO CC#CC[N@@H+](CC)CCCNC(=O)C1(CC)CCCCC1 ZINC001490360892 928353749 /nfs/dbraw/zinc/35/37/49/928353749.db2.gz IFHBROLQLWULAS-UHFFFAOYSA-N 1 1 292.467 3.198 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)CC(C)=C(C)C)C1 ZINC001490445672 928357670 /nfs/dbraw/zinc/35/76/70/928357670.db2.gz GKZILTBRGNDKJZ-INIZCTEOSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](F)CC2CCCCC2)C1 ZINC001490570642 928375887 /nfs/dbraw/zinc/37/58/87/928375887.db2.gz QMIILHQMUINPMF-HOTGVXAUSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)C[C@H](C)CC)C1 ZINC001490758673 928386233 /nfs/dbraw/zinc/38/62/33/928386233.db2.gz GPBXWOAPWTVKCW-HZPDHXFCSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)C[N@@H+](C)CCNC(=O)CCCC1CCCCC1 ZINC001492841149 937242010 /nfs/dbraw/zinc/24/20/10/937242010.db2.gz KWUDOUWXNDKGIF-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)C1CCCC1 ZINC001491210559 928845062 /nfs/dbraw/zinc/84/50/62/928845062.db2.gz RYIRILOUHJUKTL-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1CCCC[N@@H+]1CCCC ZINC001491211179 928845910 /nfs/dbraw/zinc/84/59/10/928845910.db2.gz YOSTWBWVOSIKFW-HNNXBMFYSA-N 1 1 266.429 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2=CCCC2)C1 ZINC001491290857 928855282 /nfs/dbraw/zinc/85/52/82/928855282.db2.gz UKFKSENWTBPITL-RDJZCZTQSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C1CC(C)(C(=O)Nc2cccc3c2C[N@H+](C2CC2)C3)C1 ZINC001447223167 937366873 /nfs/dbraw/zinc/36/68/73/937366873.db2.gz ASDPGVKNSBRFDP-UHFFFAOYSA-N 1 1 282.387 3.459 20 30 CGEDMO CCCCCCCNC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001453875691 937405609 /nfs/dbraw/zinc/40/56/09/937405609.db2.gz NGUCPLXVPVPICX-QLFBSQMISA-N 1 1 268.445 3.334 20 30 CGEDMO C=C1CCC(CNC(=O)[C@H]2CCCC[N@@H+]2CCC)CC1 ZINC001455550058 937419404 /nfs/dbraw/zinc/41/94/04/937419404.db2.gz ZEAVEVDIBDGNHC-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO CCCCCCCCC(=O)N1CC[N@H+](C2CC2)C[C@H]1C ZINC001457875094 937447037 /nfs/dbraw/zinc/44/70/37/937447037.db2.gz KQRPZGQPMOXTHH-OAHLLOKOSA-N 1 1 280.456 3.432 20 30 CGEDMO COCC[N@H+](Cc1c(C)cc(C#N)cc1C)CC(C)C ZINC001459305386 937484652 /nfs/dbraw/zinc/48/46/52/937484652.db2.gz AWCLPETYZUOGNU-UHFFFAOYSA-N 1 1 274.408 3.280 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@@H](OC)C1CCC1 ZINC001459403029 937487668 /nfs/dbraw/zinc/48/76/68/937487668.db2.gz DVWFPCHBWVMAEJ-QGZVFWFLSA-N 1 1 275.367 3.076 20 30 CGEDMO C#CC[N@H+](Cc1cccc(OCCC)c1)CC1CC1 ZINC001459779715 937499729 /nfs/dbraw/zinc/49/97/29/937499729.db2.gz WPQKOOOZXFGAAY-UHFFFAOYSA-N 1 1 257.377 3.321 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC001460052223 937513823 /nfs/dbraw/zinc/51/38/23/937513823.db2.gz LARVWINPOVYMGI-CQSZACIVSA-N 1 1 278.371 3.420 20 30 CGEDMO C=CCCCC[N@@H+]1CCCC[C@H]1COC(=O)N(C)CC ZINC001460059437 937514145 /nfs/dbraw/zinc/51/41/45/937514145.db2.gz FRAIPOQXFKFSIV-HNNXBMFYSA-N 1 1 282.428 3.286 20 30 CGEDMO C[C@H]([NH2+]Cc1c(F)cncc1F)c1ccc(C#N)cc1 ZINC001460088176 937515026 /nfs/dbraw/zinc/51/50/26/937515026.db2.gz FTAYPHSFJQKXER-JTQLQIEISA-N 1 1 273.286 3.082 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC001460202892 937520362 /nfs/dbraw/zinc/52/03/62/937520362.db2.gz LZXWGBFKMSAIBI-WFASDCNBSA-N 1 1 253.386 3.005 20 30 CGEDMO C=C(C)C[N@H+]1[C@H](C)CN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C ZINC001460297118 937525915 /nfs/dbraw/zinc/52/59/15/937525915.db2.gz NSFNGLYKQZCENV-MGPQQGTHSA-N 1 1 282.428 3.281 20 30 CGEDMO C=CCOCC[N@@H+]1CCCC[C@H]1Cc1ccccc1F ZINC001460355715 937528569 /nfs/dbraw/zinc/52/85/69/937528569.db2.gz GLOFAYNDWRVCSD-INIZCTEOSA-N 1 1 277.383 3.425 20 30 CGEDMO C#CCCCCCC[N@@H+]1CC(C)(C)OC[C@@H]1CC ZINC001460370164 937529543 /nfs/dbraw/zinc/52/95/43/937529543.db2.gz NHEQCIHONWEMGP-HNNXBMFYSA-N 1 1 251.414 3.460 20 30 CGEDMO C/C=C\C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC001460560025 937535589 /nfs/dbraw/zinc/53/55/89/937535589.db2.gz YMKZOPHPWWYTPP-YPQKKHBXSA-N 1 1 297.402 3.175 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)c(F)c1 ZINC001140136400 931957277 /nfs/dbraw/zinc/95/72/77/931957277.db2.gz YWXPUSIGYDZCKM-KBPBESRZSA-N 1 1 258.340 3.319 20 30 CGEDMO N#Cc1ccc(Cl)c(C[N@@H+]2CCC[C@@H](CF)C2)c1 ZINC001140601333 931958907 /nfs/dbraw/zinc/95/89/07/931958907.db2.gz NMJAFROSJBCILX-LBPRGKRZSA-N 1 1 266.747 3.393 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC(C)(C)C1 ZINC001157172227 931979520 /nfs/dbraw/zinc/97/95/20/931979520.db2.gz LPLSYRWFIAFTJP-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCO[C@H](c2ccc(OC)c(OC)c2)C1 ZINC001460956983 937556023 /nfs/dbraw/zinc/55/60/23/937556023.db2.gz CBOMCOFHIVNSKF-DYVFJYSZSA-N 1 1 291.391 3.042 20 30 CGEDMO C=CC[C@@H](C)[N@@H+]1CCO[C@H](c2ccc(OC)c(OC)c2)C1 ZINC001460956983 937556025 /nfs/dbraw/zinc/55/60/25/937556025.db2.gz CBOMCOFHIVNSKF-DYVFJYSZSA-N 1 1 291.391 3.042 20 30 CGEDMO C#C[C@@H](CCCC)Oc1ccc2c(c1)CC[N@H+](C)C2 ZINC001228945940 932057050 /nfs/dbraw/zinc/05/70/50/932057050.db2.gz YJCMMIFEKYSOND-INIZCTEOSA-N 1 1 257.377 3.245 20 30 CGEDMO C#C[C@H](C)Oc1ccc2c(n1)C[N@@H+](Cc1ccccc1)CC2 ZINC001229057793 932082967 /nfs/dbraw/zinc/08/29/67/932082967.db2.gz PFKDDZNZXIEZTI-HNNXBMFYSA-N 1 1 292.382 3.040 20 30 CGEDMO C#C[C@H](C)Oc1ccc2c(n1)C[N@H+](Cc1ccccc1)CC2 ZINC001229057793 932082973 /nfs/dbraw/zinc/08/29/73/932082973.db2.gz PFKDDZNZXIEZTI-HNNXBMFYSA-N 1 1 292.382 3.040 20 30 CGEDMO C[C@@H](C#N)C[N@H+](Cc1ccc2scnc2c1)C1CC1 ZINC001461929805 937607389 /nfs/dbraw/zinc/60/73/89/937607389.db2.gz YGWLEPQFCLROGR-NSHDSACASA-N 1 1 271.389 3.420 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](Cc1ccc2scnc2c1)C1CC1 ZINC001461929805 937607391 /nfs/dbraw/zinc/60/73/91/937607391.db2.gz YGWLEPQFCLROGR-NSHDSACASA-N 1 1 271.389 3.420 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C)CCC)CC1 ZINC001230541435 932585473 /nfs/dbraw/zinc/58/54/73/932585473.db2.gz NXUHJBDKHPUGHF-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccco1 ZINC001230589003 932595371 /nfs/dbraw/zinc/59/53/71/932595371.db2.gz UQIGVEWBINLHRJ-OAHLLOKOSA-N 1 1 292.423 3.396 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)CCC ZINC001230620317 932598933 /nfs/dbraw/zinc/59/89/33/932598933.db2.gz VLKLWBMZWQZLPO-HNNXBMFYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC001230867084 932631477 /nfs/dbraw/zinc/63/14/77/932631477.db2.gz GVEXSLBLUKCPEI-CQSZACIVSA-N 1 1 295.471 3.151 20 30 CGEDMO C#C[C@H](N[C@@H]1CCC[N@H+](CC)C1)c1ccc(Cl)cc1F ZINC001462224889 937626252 /nfs/dbraw/zinc/62/62/52/937626252.db2.gz JQWKXZZLJCYRST-CJNGLKHVSA-N 1 1 294.801 3.227 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1cccc(Oc2ccccn2)c1 ZINC001462157961 937621596 /nfs/dbraw/zinc/62/15/96/937621596.db2.gz PCRVPYTYNSDXJJ-AWEZNQCLSA-N 1 1 266.344 3.327 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCCNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001264986562 932742208 /nfs/dbraw/zinc/74/22/08/932742208.db2.gz PEKNNZFVNNUHGJ-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](CCC)CC(C)C ZINC001316609537 932747850 /nfs/dbraw/zinc/74/78/50/932747850.db2.gz CNHAWQGBDRUWOG-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](CCC)CC(C)C ZINC001316609537 932747855 /nfs/dbraw/zinc/74/78/55/932747855.db2.gz CNHAWQGBDRUWOG-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@H](C)CCCCC ZINC001317175962 932783934 /nfs/dbraw/zinc/78/39/34/932783934.db2.gz INGYWFSLYNIVCD-SJORKVTESA-N 1 1 292.467 3.197 20 30 CGEDMO C#CCCCCCC(=O)N1CCC[C@H]([N@H+](C)CCCC)C1 ZINC001491943598 932798266 /nfs/dbraw/zinc/79/82/66/932798266.db2.gz NMXHGGAVMIOHJH-KRWDZBQOSA-N 1 1 292.467 3.293 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](CC)CC(C)C)C1 ZINC001491959153 932800467 /nfs/dbraw/zinc/80/04/67/932800467.db2.gz JWZNRZJVFNCGKV-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)c1sccc1C ZINC001492187839 932810481 /nfs/dbraw/zinc/81/04/81/932810481.db2.gz STVWXYAOXHMFBA-CYBMUJFWSA-N 1 1 280.437 3.073 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)c1cc(F)ccc1C ZINC001492358390 932815876 /nfs/dbraw/zinc/81/58/76/932815876.db2.gz VSKWKPASBHFTOP-AWEZNQCLSA-N 1 1 292.398 3.150 20 30 CGEDMO C=C1CCC(C(=O)N2CC[N@@H+](C3CCCC3)[C@H](C)C2)CC1 ZINC001303544321 932828563 /nfs/dbraw/zinc/82/85/63/932828563.db2.gz RCSGBQDAFAATLU-OAHLLOKOSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)C(C)=C2CCCC2)C1 ZINC001317368938 932854985 /nfs/dbraw/zinc/85/49/85/932854985.db2.gz CIBVWMIAGJSQKP-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@@H]([N@@H+](C)C/C=C/Cl)C1 ZINC001317377627 932860381 /nfs/dbraw/zinc/86/03/81/932860381.db2.gz UKTNRXNVPOWDJP-RCQQVGEISA-N 1 1 298.858 3.264 20 30 CGEDMO C=CCCCC[N@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC001307472163 932957612 /nfs/dbraw/zinc/95/76/12/932957612.db2.gz XXCVHSPNEBXVCD-KRWDZBQOSA-N 1 1 286.419 3.470 20 30 CGEDMO C=CCOCC[N@@H+]1CC[C@@H](C)C2(CCCCC2)C1 ZINC001307704118 932989431 /nfs/dbraw/zinc/98/94/31/932989431.db2.gz IJXMCGNSIHASDB-OAHLLOKOSA-N 1 1 251.414 3.481 20 30 CGEDMO C=C(CC)C[N@@H+](CC1CC1)[C@@](C)(CC)C(=O)OC ZINC001307861662 933011388 /nfs/dbraw/zinc/01/13/88/933011388.db2.gz XTTFAQYAERERMP-HNNXBMFYSA-N 1 1 253.386 3.006 20 30 CGEDMO CC[C@@]1(Cc2ccccc2)CCC[N@H+]1CCO[C@@H](C)C#N ZINC001307919842 933020548 /nfs/dbraw/zinc/02/05/48/933020548.db2.gz XWJVEADFTNRNQX-WMZOPIPTSA-N 1 1 286.419 3.402 20 30 CGEDMO C#CC[N@H+](CC1CCC(C(F)(F)F)CC1)C1CSC1 ZINC001307917712 933021024 /nfs/dbraw/zinc/02/10/24/933021024.db2.gz BBMIMXRRKYHFJU-UHFFFAOYSA-N 1 1 291.382 3.406 20 30 CGEDMO N#Cc1cccc(OCC[N@H+]2CCC[C@H](C3CCC3)C2)c1 ZINC001307947463 933024118 /nfs/dbraw/zinc/02/41/18/933024118.db2.gz RIHUGPCMRNBQRI-KRWDZBQOSA-N 1 1 284.403 3.449 20 30 CGEDMO N#CCc1cccc2c1CC[N@H+](CCc1cccc(F)c1)C2 ZINC001307976946 933028504 /nfs/dbraw/zinc/02/85/04/933028504.db2.gz ZDTKGQCMFMIOSM-UHFFFAOYSA-N 1 1 294.373 3.493 20 30 CGEDMO COCC#CC[N@H+]1CCC[C@]1(C)Cc1ccc(F)c(F)c1 ZINC001308016425 933034924 /nfs/dbraw/zinc/03/49/24/933034924.db2.gz SKICUALLDKBCSP-QGZVFWFLSA-N 1 1 293.357 3.012 20 30 CGEDMO C=C(C)C[N@H+]1CCN(C(=O)OC(C)(C)C)CCC12CCC2 ZINC001308043060 933038563 /nfs/dbraw/zinc/03/85/63/933038563.db2.gz KUGJGSVTQRVZKZ-UHFFFAOYSA-N 1 1 294.439 3.428 20 30 CGEDMO CC(C)(C)OC[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC001308064885 933042595 /nfs/dbraw/zinc/04/25/95/933042595.db2.gz WZABPKAJLYDTFG-INIZCTEOSA-N 1 1 290.382 3.477 20 30 CGEDMO CC(C)(C)OC[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1C#N ZINC001308064885 933042599 /nfs/dbraw/zinc/04/25/99/933042599.db2.gz WZABPKAJLYDTFG-INIZCTEOSA-N 1 1 290.382 3.477 20 30 CGEDMO C#CC[N@@H+](CCCC#N)[C@@H]1CCCc2ccccc21 ZINC001308104308 933049383 /nfs/dbraw/zinc/04/93/83/933049383.db2.gz QGQWTXWFGRRESZ-QGZVFWFLSA-N 1 1 252.361 3.303 20 30 CGEDMO C#C[C@@H]1CCCC[N@@H+]1Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC001308140333 933056327 /nfs/dbraw/zinc/05/63/27/933056327.db2.gz GFXWSNPNBWYFDG-MRXNPFEDSA-N 1 1 295.382 3.398 20 30 CGEDMO C#C[C@@H]1CCCC[N@H+]1Cc1cnc(-c2ccccc2)o1 ZINC001308140574 933057457 /nfs/dbraw/zinc/05/74/57/933057457.db2.gz HNNOGCYBRRPWCX-OAHLLOKOSA-N 1 1 266.344 3.329 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001308162265 933060987 /nfs/dbraw/zinc/06/09/87/933060987.db2.gz VPOKPHQUGKYCAG-MSOLQXFVSA-N 1 1 284.403 3.400 20 30 CGEDMO CC#CC[N@H+](C)Cc1cnc(-c2ccccc2F)s1 ZINC001462628798 937655463 /nfs/dbraw/zinc/65/54/63/937655463.db2.gz HWHRGSJIPIUWPG-UHFFFAOYSA-N 1 1 274.364 3.404 20 30 CGEDMO CC#CC[N@@H+](C)Cc1cnc(-c2ccccc2F)s1 ZINC001462628798 937655465 /nfs/dbraw/zinc/65/54/65/937655465.db2.gz HWHRGSJIPIUWPG-UHFFFAOYSA-N 1 1 274.364 3.404 20 30 CGEDMO C#CC[N@H+](CC#CC)Cc1ccc(OCCC)c(C)c1 ZINC001308619290 933143397 /nfs/dbraw/zinc/14/33/97/933143397.db2.gz LTXQEKCCDHWYKH-UHFFFAOYSA-N 1 1 269.388 3.242 20 30 CGEDMO C#CC[N@@H+](CC#CC)Cc1ccc(OCCC)c(C)c1 ZINC001308619290 933143398 /nfs/dbraw/zinc/14/33/98/933143398.db2.gz LTXQEKCCDHWYKH-UHFFFAOYSA-N 1 1 269.388 3.242 20 30 CGEDMO C=CC[C@@H]([NH2+]C1CCC(C2CCC2)CC1)C(=O)OCC ZINC001308741684 933168080 /nfs/dbraw/zinc/16/80/80/933168080.db2.gz XAXLOVGSVTXWSG-UYSNPLJNSA-N 1 1 279.424 3.443 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@@H]2C[C@@]2(F)c2ccccc2)cc1F ZINC001308829104 933185370 /nfs/dbraw/zinc/18/53/70/933185370.db2.gz CDNGNMKKQGJQCD-IAGOWNOFSA-N 1 1 284.309 3.424 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)/C=C(\C)C1CC1 ZINC001317495682 933265348 /nfs/dbraw/zinc/26/53/48/933265348.db2.gz AFVRUXXUAYBXHT-YTLDMCMYSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC001311953937 933323895 /nfs/dbraw/zinc/32/38/95/933323895.db2.gz VVQKSJIOBKIMSH-HNNXBMFYSA-N 1 1 295.471 3.152 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCCNC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001316894942 933458017 /nfs/dbraw/zinc/45/80/17/933458017.db2.gz GPEUZQYRKLVEMK-ZACQAIPSSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C2(CC)CCC2)C1 ZINC001316949520 933460262 /nfs/dbraw/zinc/46/02/62/933460262.db2.gz UGTCOIYUXYSPBE-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CCC)C(C)(C)[C@H]21 ZINC001316722141 933477221 /nfs/dbraw/zinc/47/72/21/933477221.db2.gz YCAJXSYCTOZPJA-PVAVHDDUSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)CC2CC2)[C@H]1C ZINC001316771660 933481003 /nfs/dbraw/zinc/48/10/03/933481003.db2.gz UOTVSFUUQUUIOF-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@@H+](C)CCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001316837387 933485646 /nfs/dbraw/zinc/48/56/46/933485646.db2.gz PITIEKPRBSXXDR-YESZJQIVSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001464423141 937690047 /nfs/dbraw/zinc/69/00/47/937690047.db2.gz CFTQMWDBHGVXAQ-ZNMIVQPWSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CC[N@@H+](CC)CCCNC(=O)C[C@H]1CCCC[C@H]1C ZINC001316910594 933494638 /nfs/dbraw/zinc/49/46/38/933494638.db2.gz CJHLWQRMSIGRJL-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)C(CC)CC)C1 ZINC001316945631 933499112 /nfs/dbraw/zinc/49/91/12/933499112.db2.gz QNIBANQCBMSGHI-GDBMZVCRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)CCC2CCC2)C1 ZINC001316942243 933499526 /nfs/dbraw/zinc/49/95/26/933499526.db2.gz XMMZJDIIJDJHKY-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2cc(C)c(C)o2)C1 ZINC001316974386 933505776 /nfs/dbraw/zinc/50/57/76/933505776.db2.gz BFFGOFPWFKLOMT-DZGCQCFKSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](CCCC)C(C)C)C1 ZINC001316994940 933507531 /nfs/dbraw/zinc/50/75/31/933507531.db2.gz ROAYGVMMRYJHRJ-HZPDHXFCSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](CC)CC(C)C)C1 ZINC001317145291 933543001 /nfs/dbraw/zinc/54/30/01/933543001.db2.gz YVXAISQPHWMXOC-SJORKVTESA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCCC(=O)N[C@H](C)[C@H]1CCC[N@@H+](CC(=C)C)C1 ZINC001317209234 933555171 /nfs/dbraw/zinc/55/51/71/933555171.db2.gz ODVGEVJDZRNJNK-CVEARBPZSA-N 1 1 278.440 3.136 20 30 CGEDMO CCC(CC)C[N@@H+](C)[C@@H]1CCCN(C(=O)C#CC(C)C)C1 ZINC001317373042 933579414 /nfs/dbraw/zinc/57/94/14/933579414.db2.gz JOMYRTUQPBSXHV-QGZVFWFLSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)CCCF)C1 ZINC001317378353 933581120 /nfs/dbraw/zinc/58/11/20/933581120.db2.gz HZDPZSMBFWUDTJ-GJZGRUSLSA-N 1 1 284.419 3.014 20 30 CGEDMO CC#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](CC)CC(C)C)C1 ZINC001317381001 933581637 /nfs/dbraw/zinc/58/16/37/933581637.db2.gz IDJRZZYXWNIVPI-IRXDYDNUSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)Cc1ccsc1C ZINC001317463665 933596823 /nfs/dbraw/zinc/59/68/23/933596823.db2.gz JTDTXWIGXJHFSK-CYBMUJFWSA-N 1 1 294.464 3.002 20 30 CGEDMO C=CCCC[N@H+](CC)CCNC(=O)[C@H]1CCC[C@@H](C)C1 ZINC001317484109 933602537 /nfs/dbraw/zinc/60/25/37/933602537.db2.gz OACFCCQBBNGPCG-CVEARBPZSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCC[N@@H+]1CCCC(C)(C)C ZINC001317495214 933605585 /nfs/dbraw/zinc/60/55/85/933605585.db2.gz IHAKEKYQIJXCSJ-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)C1CCCC1 ZINC001317508473 933607648 /nfs/dbraw/zinc/60/76/48/933607648.db2.gz LCKSHCROJLEHEW-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)C1CCCC1 ZINC001317508489 933608327 /nfs/dbraw/zinc/60/83/27/933608327.db2.gz LCKSHCROJLEHEW-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCC[N@@H+](CCC)CCNC(=O)C(C)(C)CC(C)(C)C ZINC001317546204 933615053 /nfs/dbraw/zinc/61/50/53/933615053.db2.gz OSIGWWZFPGHOER-UHFFFAOYSA-N 1 1 294.483 3.300 20 30 CGEDMO C=CCCC(=O)NCC[N@H+]([C@H](C)c1ccccc1)C1CC1 ZINC001317549288 933616995 /nfs/dbraw/zinc/61/69/95/933616995.db2.gz PDADMOUIRJXXBV-OAHLLOKOSA-N 1 1 286.419 3.294 20 30 CGEDMO C=C(C)CC[N@H+](CCCNC(=O)c1ccc(C)o1)C(C)C ZINC001317678346 933631766 /nfs/dbraw/zinc/63/17/66/933631766.db2.gz JNQIWDIWOFPUBL-UHFFFAOYSA-N 1 1 292.423 3.385 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H](C)CCCC)C1 ZINC001317755585 933645214 /nfs/dbraw/zinc/64/52/14/933645214.db2.gz XNOXLJAEYUEJSO-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](CCNC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001317790864 933650333 /nfs/dbraw/zinc/65/03/33/933650333.db2.gz WRUASRMTNJETIR-WMZOPIPTSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CCNC(=O)CC(C)=C(C)C)C1 ZINC001317798440 933651711 /nfs/dbraw/zinc/65/17/11/933651711.db2.gz VTWXAQFBLQQEFV-INIZCTEOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)C2CCCC2)C1 ZINC001317856060 933658955 /nfs/dbraw/zinc/65/89/55/933658955.db2.gz CBJMMIRSINUDQL-HZPDHXFCSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)CCC(=C)C)C1 ZINC001317972795 933668994 /nfs/dbraw/zinc/66/89/94/933668994.db2.gz KTSPVZGIPLDORB-HOTGVXAUSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)[C@@H](CC)CC2CCCC2)C1 ZINC001318066972 933680171 /nfs/dbraw/zinc/68/01/71/933680171.db2.gz JOSKUJXFIIRQAD-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)/C=C(/C)CC)C1 ZINC001318399665 933719437 /nfs/dbraw/zinc/71/94/37/933719437.db2.gz IJKUDOSHTYKJMW-GBDTVTBQSA-N 1 1 278.440 3.230 20 30 CGEDMO C=C1CC(C)(C(=O)N(C)[C@@H]2CC[N@@H+](CCCCCF)C2)C1 ZINC001318428624 933723129 /nfs/dbraw/zinc/72/31/29/933723129.db2.gz LCHLUFPGUQGSBZ-OAHLLOKOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)CC=C)C1 ZINC001318435878 933724866 /nfs/dbraw/zinc/72/48/66/933724866.db2.gz BXJXTDZUUZHEQC-CVEARBPZSA-N 1 1 292.467 3.476 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C(C)(CC)CC)C1 ZINC001318445039 933728157 /nfs/dbraw/zinc/72/81/57/933728157.db2.gz IQZIQPQRDKNZNU-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CCCCCCC(=O)N(CC)[C@H]1CC[N@@H+](CC(=C)C)C1 ZINC001318480275 933732242 /nfs/dbraw/zinc/73/22/42/933732242.db2.gz VGKOBONFCGKBND-KRWDZBQOSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)C1(C)C(C)(C)C1(C)C ZINC001467728743 937721415 /nfs/dbraw/zinc/72/14/15/937721415.db2.gz OQRKDSZJCKBFFL-UHFFFAOYSA-N 1 1 280.456 3.025 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)[C@H]1CCCC[C@H]1C1CC1 ZINC001467728760 937721650 /nfs/dbraw/zinc/72/16/50/937721650.db2.gz OVEVMTIXQGTDPT-IRXDYDNUSA-N 1 1 292.467 3.169 20 30 CGEDMO C#CCOCC[N@H+](C)[C@H](C)c1ccc2ccccc2c1 ZINC001319553563 933892218 /nfs/dbraw/zinc/89/22/18/933892218.db2.gz LYRCEYIELWMBAE-OAHLLOKOSA-N 1 1 267.372 3.482 20 30 CGEDMO C=CCC1(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCCC1 ZINC001468078970 937724403 /nfs/dbraw/zinc/72/44/03/937724403.db2.gz ASMITJNTOJQEDR-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)[C@H](C)C(C)(C)C ZINC001320019832 933981527 /nfs/dbraw/zinc/98/15/27/933981527.db2.gz DPFDGTOYGFBNPK-AWEZNQCLSA-N 1 1 268.445 3.025 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2csc(CCCC)n2)C1 ZINC001320039471 933986436 /nfs/dbraw/zinc/98/64/36/933986436.db2.gz LUSKXYLVYPSMOF-CQSZACIVSA-N 1 1 280.437 3.263 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2csc(CCCC)n2)C1 ZINC001320039471 933986445 /nfs/dbraw/zinc/98/64/45/933986445.db2.gz LUSKXYLVYPSMOF-CQSZACIVSA-N 1 1 280.437 3.263 20 30 CGEDMO C=C1CCC(C(=O)N(C)CC[N@H+](C)CCC(C)C)CC1 ZINC001320042936 933986536 /nfs/dbraw/zinc/98/65/36/933986536.db2.gz OIJWLAMVDKOUCE-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC001320067456 933993528 /nfs/dbraw/zinc/99/35/28/933993528.db2.gz RHJDRLACZBXJLP-SJORKVTESA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2cncc3ccccc32)C1 ZINC001320377952 934038922 /nfs/dbraw/zinc/03/89/22/934038922.db2.gz RGSRPFDGANGDFO-MRXNPFEDSA-N 1 1 268.360 3.012 20 30 CGEDMO C[C@@H](C#N)C[N@H+](Cc1ccc(-c2cnn(C)c2)cc1)C1CC1 ZINC001321032756 934139560 /nfs/dbraw/zinc/13/95/60/934139560.db2.gz JQBXATDAERSIFU-AWEZNQCLSA-N 1 1 294.402 3.211 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](Cc1ccc(-c2cnn(C)c2)cc1)C1CC1 ZINC001321032756 934139566 /nfs/dbraw/zinc/13/95/66/934139566.db2.gz JQBXATDAERSIFU-AWEZNQCLSA-N 1 1 294.402 3.211 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2sccc2Cl)C1 ZINC001321073734 934147095 /nfs/dbraw/zinc/14/70/95/934147095.db2.gz CHEZKDMHRNPYOD-SNVBAGLBSA-N 1 1 257.786 3.178 20 30 CGEDMO C=CC[C@H]([NH2+]C1CCC(C(F)(F)F)CC1)C(=O)OCC ZINC001321151079 934156574 /nfs/dbraw/zinc/15/65/74/934156574.db2.gz YRLUILNLAMBCNZ-MCIGGMRASA-N 1 1 293.329 3.205 20 30 CGEDMO C=CC(C)(C)CCNC(=O)N[C@@H](C)C[N@H+](C)CCCC ZINC001470383014 937751972 /nfs/dbraw/zinc/75/19/72/937751972.db2.gz MZBBFNPJSCSIPT-AWEZNQCLSA-N 1 1 283.460 3.008 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)c1cccc(C)c1F ZINC001322162080 934253319 /nfs/dbraw/zinc/25/33/19/934253319.db2.gz YJQXMYPUFQJBMV-AWEZNQCLSA-N 1 1 292.398 3.150 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)C(C)(C)CC(C)C ZINC001322274059 934269026 /nfs/dbraw/zinc/26/90/26/934269026.db2.gz LIPFWJBKHMCMSG-AWEZNQCLSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(C(C)(C)C)s1 ZINC001322299423 934273259 /nfs/dbraw/zinc/27/32/59/934273259.db2.gz UGLVLAODZJEXMQ-GFCCVEGCSA-N 1 1 294.464 3.282 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)C(C)=C1CCCC1 ZINC001323211377 934373092 /nfs/dbraw/zinc/37/30/92/934373092.db2.gz LWZHOXQQQYVMPV-RHSMWYFYSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)CC1CC(C)(C)C1 ZINC001323287835 934378346 /nfs/dbraw/zinc/37/83/46/934378346.db2.gz UVCZPCFRKBYBJK-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1cccc(CC#N)n1 ZINC001323343753 934389606 /nfs/dbraw/zinc/38/96/06/934389606.db2.gz SMLLMKXGMHWIDR-OAHLLOKOSA-N 1 1 294.402 3.080 20 30 CGEDMO C=CC[N@H+](CCNC(=O)CC(C)C)C1CCCCCC1 ZINC001323704206 934420761 /nfs/dbraw/zinc/42/07/61/934420761.db2.gz AHUAHYOCBLJQEZ-UHFFFAOYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001323784927 934425520 /nfs/dbraw/zinc/42/55/20/934425520.db2.gz HTFUFNPDWYSLAB-GOSISDBHSA-N 1 1 286.419 3.064 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)CC3CC3)C2)C1 ZINC001323837000 934430651 /nfs/dbraw/zinc/43/06/51/934430651.db2.gz YOTCHYMPOQQNGA-MAUKXSAKSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)CCCC)C2)C1 ZINC001323846237 934431199 /nfs/dbraw/zinc/43/11/99/934431199.db2.gz HYDPRYDPFPWMFN-FUHWJXTLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)C[C@H](C)CCC)C2)C1 ZINC001323844896 934431392 /nfs/dbraw/zinc/43/13/92/934431392.db2.gz MTMAOHYDCPOQFI-AEFFLSMTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](C[C@H](OC(C)C)c2ccccc2)C1 ZINC001324368595 934492298 /nfs/dbraw/zinc/49/22/98/934492298.db2.gz BJXGWEGBRCDXIL-MSOLQXFVSA-N 1 1 289.419 3.430 20 30 CGEDMO C#CC[N@@H+](Cc1ncc(-c2ccc(C)cc2)o1)CC1CC1 ZINC001324382135 934496128 /nfs/dbraw/zinc/49/61/28/934496128.db2.gz ATDCEODTCCYEJS-UHFFFAOYSA-N 1 1 280.371 3.495 20 30 CGEDMO C#CC[N@H+](Cc1ncc(-c2ccc(C)cc2)o1)CC1CC1 ZINC001324382135 934496134 /nfs/dbraw/zinc/49/61/34/934496134.db2.gz ATDCEODTCCYEJS-UHFFFAOYSA-N 1 1 280.371 3.495 20 30 CGEDMO C=CCCCC(=O)N1CCCC[C@]2(CC[N@H+](CCF)C2)C1 ZINC001324555621 934523016 /nfs/dbraw/zinc/52/30/16/934523016.db2.gz AQRKWHUUEQBYSZ-QGZVFWFLSA-N 1 1 296.430 3.017 20 30 CGEDMO N#Cc1ccc(F)cc1N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001472634308 937779024 /nfs/dbraw/zinc/77/90/24/937779024.db2.gz BARAIVGUROSJBT-QGZVFWFLSA-N 1 1 295.361 3.384 20 30 CGEDMO C#CC[C@H]([NH2+]CCN1C[C@H](C)C[C@@H](C)C1)c1ccccc1 ZINC001473332476 937801905 /nfs/dbraw/zinc/80/19/05/937801905.db2.gz ZAMITTOMLVIHKN-LMMKCTJWSA-N 1 1 284.447 3.319 20 30 CGEDMO C[C@@H](COCc1ccccc1)C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC001473342593 937802485 /nfs/dbraw/zinc/80/24/85/937802485.db2.gz PARNIMOXRNJFBD-HZPDHXFCSA-N 1 1 286.419 3.463 20 30 CGEDMO Cc1cccc(NC[C@H]2CCC[N@H+]2CCC(C)(C)C#N)n1 ZINC001324939944 934875497 /nfs/dbraw/zinc/87/54/97/934875497.db2.gz BNSOIHKQHZXRCO-OAHLLOKOSA-N 1 1 286.423 3.206 20 30 CGEDMO C[C@H]1CC(C)(C)C[N@H+]1CCOc1ccccc1C#N ZINC001473555219 937810970 /nfs/dbraw/zinc/81/09/70/937810970.db2.gz VVCXMXQJSJPUAD-ZDUSSCGKSA-N 1 1 258.365 3.057 20 30 CGEDMO C#CC[N@H+](CC1CC1)[C@H](C)C(=O)Nc1ccccc1C(C)C ZINC001325513503 934917093 /nfs/dbraw/zinc/91/70/93/934917093.db2.gz UGVWBTKFZOKADE-OAHLLOKOSA-N 1 1 298.430 3.482 20 30 CGEDMO C#CC[N@@H+](CC1CC1)[C@H](C)C(=O)Nc1ccccc1C(C)C ZINC001325513503 934917096 /nfs/dbraw/zinc/91/70/96/934917096.db2.gz UGVWBTKFZOKADE-OAHLLOKOSA-N 1 1 298.430 3.482 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](CCSc2ccc(F)cc2F)C1 ZINC001473587526 937812421 /nfs/dbraw/zinc/81/24/21/937812421.db2.gz MECGQSFJNVSLKH-GFCCVEGCSA-N 1 1 281.371 3.402 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CN(C(=O)CCCCCCCC)C[C@H]2C1 ZINC001325772656 934928790 /nfs/dbraw/zinc/92/87/90/934928790.db2.gz PUUSNYLYURDJLJ-CALCHBBNSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)c3ccccc3)[C@@H]2C1 ZINC001325916945 934939436 /nfs/dbraw/zinc/93/94/36/934939436.db2.gz KEHDAXSODDUNGF-ZWKOTPCHSA-N 1 1 298.430 3.189 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)CC(C)C ZINC001325923147 934939634 /nfs/dbraw/zinc/93/96/34/934939634.db2.gz VGXGZPZXLXSVLD-HZPDHXFCSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@H]2CCN(c3ccccc3)C2=O)C1 ZINC001473628075 937814953 /nfs/dbraw/zinc/81/49/53/937814953.db2.gz ZOOQEGVMHPXPKF-WBVHZDCISA-N 1 1 284.403 3.080 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1CC)[C@@H](C)COC ZINC001473637583 937815387 /nfs/dbraw/zinc/81/53/87/937815387.db2.gz TZXMPHVTQZAMKY-HNNXBMFYSA-N 1 1 261.409 3.314 20 30 CGEDMO C=CC[N@@H+](C[C@@H]1CN(C2CCCCC2)C(=O)O1)C(C)(C)C ZINC001473651388 937816176 /nfs/dbraw/zinc/81/61/76/937816176.db2.gz UINWXNIAGWRDPO-OAHLLOKOSA-N 1 1 294.439 3.426 20 30 CGEDMO C=CC[N@H+](C)Cc1ccccc1CNC(=O)[C@H](C)CCC ZINC001326449406 934981217 /nfs/dbraw/zinc/98/12/17/934981217.db2.gz LADMPVDUZXTJMX-OAHLLOKOSA-N 1 1 288.435 3.357 20 30 CGEDMO C[N@H+](Cc1c[nH]c(=O)c2ccccc12)[C@@H]1CCC[C@@H]1C#N ZINC001473707286 937818144 /nfs/dbraw/zinc/81/81/44/937818144.db2.gz IYAXBXNOGJRDGN-MLGOLLRUSA-N 1 1 281.359 3.064 20 30 CGEDMO C[N@@H+](Cc1c[nH]c(=O)c2ccccc12)[C@@H]1CCC[C@@H]1C#N ZINC001473707286 937818145 /nfs/dbraw/zinc/81/81/45/937818145.db2.gz IYAXBXNOGJRDGN-MLGOLLRUSA-N 1 1 281.359 3.064 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)c1cccs1 ZINC001327176148 935040369 /nfs/dbraw/zinc/04/03/69/935040369.db2.gz HDPACJMZKOOIDQ-UHFFFAOYSA-N 1 1 280.437 3.108 20 30 CGEDMO N#CCCCSCc1ccc(C[NH+]2CCOCC2)cc1 ZINC001327585095 935072365 /nfs/dbraw/zinc/07/23/65/935072365.db2.gz QCXSWJVNOIUUEV-UHFFFAOYSA-N 1 1 290.432 3.056 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](CN2CC[C@H](c3ccccc3)C2=O)C1 ZINC001327701748 935079652 /nfs/dbraw/zinc/07/96/52/935079652.db2.gz ZHZVBAKWGZEZDZ-SJLPKXTDSA-N 1 1 298.430 3.248 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](C[C@@H](C)c2cc(F)cc(F)c2)C1 ZINC001327946374 935101078 /nfs/dbraw/zinc/10/10/78/935101078.db2.gz OWOQAEAEYRIIQO-MLGOLLRUSA-N 1 1 281.346 3.345 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](F)C(C)C)C(C)(C)C1 ZINC001328104057 935117844 /nfs/dbraw/zinc/11/78/44/935117844.db2.gz ZGYDQTDAILNVIQ-CABCVRRESA-N 1 1 298.446 3.163 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2(CF)CCC2)C[C@@H]1C ZINC001328278956 935128049 /nfs/dbraw/zinc/12/80/49/935128049.db2.gz LHPDHTOFUCIXBO-LSDHHAIUSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CC[N@H+](Cc1cc(C(=O)OC)c2n1CCCC2)C(C)C ZINC001328590333 935150237 /nfs/dbraw/zinc/15/02/37/935150237.db2.gz KPPSONBYLSEAGY-UHFFFAOYSA-N 1 1 290.407 3.007 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]1C[N@@H+](C)CCC1CC1 ZINC001328738838 935164328 /nfs/dbraw/zinc/16/43/28/935164328.db2.gz ZZOQYBNNENHHPJ-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)C1(C)CCCC1 ZINC001328751971 935166153 /nfs/dbraw/zinc/16/61/53/935166153.db2.gz CXQNXVBIHZFSRX-CQSZACIVSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)C1(C)CCCC1 ZINC001328751971 935166155 /nfs/dbraw/zinc/16/61/55/935166155.db2.gz CXQNXVBIHZFSRX-CQSZACIVSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC(C)C ZINC001328752322 935166712 /nfs/dbraw/zinc/16/67/12/935166712.db2.gz HORRQTLZBKFTBD-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@H](CC)C(C)C ZINC001328787643 935168864 /nfs/dbraw/zinc/16/88/64/935168864.db2.gz WUOAIKPOXCIXMI-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO N#CC1(c2ccccc2)CC([NH2+][C@@H](CN)C2CCCCC2)C1 ZINC001329025113 935180290 /nfs/dbraw/zinc/18/02/90/935180290.db2.gz YPBXPVCOFHXTAC-XBMUEBEBSA-N 1 1 297.446 3.108 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)c1ccccc1C ZINC001329623137 935233802 /nfs/dbraw/zinc/23/38/02/935233802.db2.gz IHJBABVXDUISPN-CVEARBPZSA-N 1 1 288.435 3.111 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H]1C[N@@H+](CCC(=C)C)CC1(C)C ZINC001330230610 935279175 /nfs/dbraw/zinc/27/91/75/935279175.db2.gz QUHAISJLAKFAOP-CVEARBPZSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCC1(C(=O)N2CCC[N@H+]3CCC[C@@H]3C2)CCCCC1 ZINC001330505969 935291503 /nfs/dbraw/zinc/29/15/03/935291503.db2.gz VOAUQGCJNSHNEJ-MRXNPFEDSA-N 1 1 290.451 3.210 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)/C=C(\C)CC)C[C@@]2(C)C1 ZINC001330525988 935292567 /nfs/dbraw/zinc/29/25/67/935292567.db2.gz UIIPECYOIREKMA-JGTKTPFSSA-N 1 1 290.451 3.089 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cccnc2C(F)(F)F)C1 ZINC001331606039 935398861 /nfs/dbraw/zinc/39/88/61/935398861.db2.gz DCUZBZCLACIWHQ-LBPRGKRZSA-N 1 1 282.309 3.336 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)C(CC)CC)CCC[C@H]12 ZINC001332070089 935437261 /nfs/dbraw/zinc/43/72/61/935437261.db2.gz MVPRGVIUGOLLHR-RDJZCZTQSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)CC)[C@@H]1C ZINC001332198347 935448063 /nfs/dbraw/zinc/44/80/63/935448063.db2.gz JFXFFBZJHNLWGT-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO CC#CC[N@@H+](C)CCN(C(=O)[C@H]1CCCC1(C)C)C(C)C ZINC001332721800 935484364 /nfs/dbraw/zinc/48/43/64/935484364.db2.gz CBYIOUODQDIWQB-MRXNPFEDSA-N 1 1 292.467 3.005 20 30 CGEDMO CC(C)C[C@H](CO)[N@@H+](C)CCCCC1(C#N)CCC1 ZINC001332920937 935497828 /nfs/dbraw/zinc/49/78/28/935497828.db2.gz DQGNWIRCGYDHTP-OAHLLOKOSA-N 1 1 266.429 3.189 20 30 CGEDMO C#CC[N@H+](Cc1cc(-c2ccc(C)cc2)no1)CC1CC1 ZINC001335589267 936154687 /nfs/dbraw/zinc/15/46/87/936154687.db2.gz NGTDTGAXOPSBLY-UHFFFAOYSA-N 1 1 280.371 3.495 20 30 CGEDMO C[C@@]1(C#N)CCC[N@H+](C[C@@H]2CCCC3(CCC3)O2)C1 ZINC001335760489 936159193 /nfs/dbraw/zinc/15/91/93/936159193.db2.gz ROLHLQPDKQYAJN-GJZGRUSLSA-N 1 1 262.397 3.104 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](C[C@@H]2CCCC3(CCC3)O2)C1 ZINC001335760489 936159195 /nfs/dbraw/zinc/15/91/95/936159195.db2.gz ROLHLQPDKQYAJN-GJZGRUSLSA-N 1 1 262.397 3.104 20 30 CGEDMO CC(C)(C)CCC[N@H+]1CCc2c(C#N)c(N)sc2C1 ZINC001473858875 937824959 /nfs/dbraw/zinc/82/49/59/937824959.db2.gz ZHWKOFQKOQZCPE-UHFFFAOYSA-N 1 1 277.437 3.386 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC001473857393 937825265 /nfs/dbraw/zinc/82/52/65/937825265.db2.gz QCTMCLVVLNGQIC-HNNXBMFYSA-N 1 1 298.386 3.275 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@H](CC)c2ccc(F)cc2)nn1 ZINC001474082820 937839495 /nfs/dbraw/zinc/83/94/95/937839495.db2.gz AMBSIKDWQISSKR-MRXNPFEDSA-N 1 1 288.370 3.234 20 30 CGEDMO Cc1ccc(C[NH2+]Cc2cccnc2Cl)cc1C#N ZINC001474262787 937847311 /nfs/dbraw/zinc/84/73/11/937847311.db2.gz DPHZWFWSMCLIGR-UHFFFAOYSA-N 1 1 271.751 3.205 20 30 CGEDMO COc1ccc(SCC[N@H+](CCC#N)C(C)C)cc1 ZINC001474336960 937852477 /nfs/dbraw/zinc/85/24/77/937852477.db2.gz QHHRQOMYEDVEKE-UHFFFAOYSA-N 1 1 278.421 3.411 20 30 CGEDMO COc1ccc(SCC[N@@H+](CCC#N)C(C)C)cc1 ZINC001474336960 937852479 /nfs/dbraw/zinc/85/24/79/937852479.db2.gz QHHRQOMYEDVEKE-UHFFFAOYSA-N 1 1 278.421 3.411 20 30 CGEDMO C#CC[N@H+](CC#CC)[C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC001474369691 937855500 /nfs/dbraw/zinc/85/55/00/937855500.db2.gz OPEOFUYEHAYEFS-RTBURBONSA-N 1 1 265.400 3.455 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1cc(C)cc(OC)c1O ZINC001474512678 937864011 /nfs/dbraw/zinc/86/40/11/937864011.db2.gz RJUCXKOVGJBPJR-UHFFFAOYSA-N 1 1 295.382 3.345 20 30 CGEDMO C=CCC[C@@H]([NH2+][C@@H](C)CCC(C)C)C(=O)OCC ZINC001474528872 937864541 /nfs/dbraw/zinc/86/45/41/937864541.db2.gz YYDLLKSWNJBFAF-UONOGXRCSA-N 1 1 255.402 3.299 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cc(F)cc(OCC)c2)C1 ZINC001474646802 937873021 /nfs/dbraw/zinc/87/30/21/937873021.db2.gz IJAHMTIGIATEJC-ZDUSSCGKSA-N 1 1 261.340 3.070 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1ccc(/C=C/C(=O)OC)o1 ZINC001474739571 937878147 /nfs/dbraw/zinc/87/81/47/937878147.db2.gz ZWEPNLAQQFZSEF-ZHACJKMWSA-N 1 1 277.364 3.254 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1cn2cccc(F)c2n1 ZINC001474739499 937878153 /nfs/dbraw/zinc/87/81/53/937878153.db2.gz XALMKNXBRUGNJL-UHFFFAOYSA-N 1 1 261.344 3.262 20 30 CGEDMO C=CCCCCCCCNC(=O)N1CC[N@H+](C)C[C@H]1CC ZINC001478773867 937910671 /nfs/dbraw/zinc/91/06/71/937910671.db2.gz OCYIZONMYKOGDU-MRXNPFEDSA-N 1 1 295.471 3.249 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)CC(C)C)[C@H]1CC ZINC001479644864 937923123 /nfs/dbraw/zinc/92/31/23/937923123.db2.gz HOICSKNDFPFRIA-HRCADAONSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCCC(=O)N1C[C@@H]2C[N@@H+](CCCC(C)C)CC[C@@H]2C1 ZINC001479663562 937923637 /nfs/dbraw/zinc/92/36/37/937923637.db2.gz IAERKNWDNADRDR-SJORKVTESA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C(C)C)CC(C)(C)C1 ZINC001479747197 937925505 /nfs/dbraw/zinc/92/55/05/937925505.db2.gz YHPLJMBAXPRZIL-HOTGVXAUSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)CCCNC(=O)c1cc(C)oc1C ZINC001479837174 937927073 /nfs/dbraw/zinc/92/70/73/937927073.db2.gz OHIOTEKRYNBZDD-UHFFFAOYSA-N 1 1 298.814 3.091 20 30 CGEDMO C#CC[N@H+](CCCNC(=O)C[C@@H](C)CC(C)(C)C)C1CC1 ZINC001479875741 937927692 /nfs/dbraw/zinc/92/76/92/937927692.db2.gz BDCHSCONGFLFNU-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(Cl)C[N@@H+](CCCNC(=O)C(C)=C1CCC1)C1CC1 ZINC001479869202 937928167 /nfs/dbraw/zinc/92/81/67/937928167.db2.gz TWSICKMCULVRIC-UHFFFAOYSA-N 1 1 296.842 3.210 20 30 CGEDMO C=C(Cl)C[N@H+](CCCNC(=O)C(C)=C1CCC1)C1CC1 ZINC001479869202 937928169 /nfs/dbraw/zinc/92/81/69/937928169.db2.gz TWSICKMCULVRIC-UHFFFAOYSA-N 1 1 296.842 3.210 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)CCCC[C@@H](C)CC)C1 ZINC001479904638 937929133 /nfs/dbraw/zinc/92/91/33/937929133.db2.gz SYPURAVQGLWQKQ-IRXDYDNUSA-N 1 1 292.467 3.197 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)CCCCCC)C1 ZINC001479968121 937930325 /nfs/dbraw/zinc/93/03/25/937930325.db2.gz CUPMSEDMEQVVMP-IAGOWNOFSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H](C[N@H+](C)C[C@@H](F)CC)C1 ZINC001480085415 937932260 /nfs/dbraw/zinc/93/22/60/937932260.db2.gz RBJCDYRULUHGKU-HOTGVXAUSA-N 1 1 298.446 3.261 20 30 CGEDMO C=CCCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC=C ZINC001480181275 937933561 /nfs/dbraw/zinc/93/35/61/937933561.db2.gz SEGBLRAJFOBDEC-ALOPSCKCSA-N 1 1 290.451 3.421 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@](C)(C=C)CC)C1 ZINC001480263066 937934899 /nfs/dbraw/zinc/93/48/99/937934899.db2.gz QTPLZNRFOBWUCM-WMZOPIPTSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)C(C)(C)C)C1 ZINC001480256405 937935306 /nfs/dbraw/zinc/93/53/06/937935306.db2.gz FDOINSQLFSCWSO-CABCVRRESA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001480262039 937935310 /nfs/dbraw/zinc/93/53/10/937935310.db2.gz DURYVQJGODQPEM-INIZCTEOSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CC)C1 ZINC001480371187 937937523 /nfs/dbraw/zinc/93/75/23/937937523.db2.gz AEZFQJBOZMDFBU-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)CCC ZINC001480395705 937938247 /nfs/dbraw/zinc/93/82/47/937938247.db2.gz ATFRWFLNMSVWOO-ALYAQQCSSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)/C=C(\C)C2CC2)C1 ZINC001480719927 937942855 /nfs/dbraw/zinc/94/28/55/937942855.db2.gz LTULXIHFQQDGDP-VMEIHUARSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1CCCNC(=O)C1(CC=C)CCC1 ZINC001480829883 937945356 /nfs/dbraw/zinc/94/53/56/937945356.db2.gz GMPVXDMYRTZNKK-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC(=O)NCC[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC001480848245 937946127 /nfs/dbraw/zinc/94/61/27/937946127.db2.gz LWLDNPDJRRGFAZ-LBPRGKRZSA-N 1 1 296.361 3.040 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)c1ccc(C)cc1C ZINC001493054692 937946610 /nfs/dbraw/zinc/94/66/10/937946610.db2.gz UPOBREQNCHFJAA-UHFFFAOYSA-N 1 1 288.435 3.321 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)C1(C)CCC(C)CC1 ZINC001493160469 937947925 /nfs/dbraw/zinc/94/79/25/937947925.db2.gz IOWXVHYNKTZJNA-PQUAAJSLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)CC(C)C)C1 ZINC001493251380 937948828 /nfs/dbraw/zinc/94/88/28/937948828.db2.gz CXVQYMNFLHDKDV-INIZCTEOSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[N@@H+](CCNC(=O)[C@H]1CCCCC1(C)C)C1CC1 ZINC001493452863 937950668 /nfs/dbraw/zinc/95/06/68/937950668.db2.gz ZIIAFNIBDUEXHZ-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)/C=C(/C)C2CC2)C1 ZINC001493996576 937952687 /nfs/dbraw/zinc/95/26/87/937952687.db2.gz XKGOQXSFSJKBME-UGEDRFTOSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)C2(C)CC=CC2)C1 ZINC001494048885 937953179 /nfs/dbraw/zinc/95/31/79/937953179.db2.gz SBDNDXBGPZCXCP-MRXNPFEDSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H](C)C2CCC2)C1 ZINC001494027272 937953233 /nfs/dbraw/zinc/95/32/33/937953233.db2.gz DHVSCRJOBKMMPW-HOTGVXAUSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001494262262 937953967 /nfs/dbraw/zinc/95/39/67/937953967.db2.gz IJCNDHGDVSLSJI-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001494323410 937954352 /nfs/dbraw/zinc/95/43/52/937954352.db2.gz GDASQHYYBQOJQT-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H](NC(=O)CC2CCCC2)C1 ZINC001494310319 937954449 /nfs/dbraw/zinc/95/44/49/937954449.db2.gz LDVHRIWEHBMWBD-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2sccc2C)C1 ZINC001494689026 937955707 /nfs/dbraw/zinc/95/57/07/937955707.db2.gz LMFLNIALTYVDSX-KGLIPLIRSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@](C)(CC)CCC ZINC001494678747 937955794 /nfs/dbraw/zinc/95/57/94/937955794.db2.gz DYADHVOSUHVVLK-ZOBUZTSGSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@](C)(CC)CCC ZINC001494678747 937955795 /nfs/dbraw/zinc/95/57/95/937955795.db2.gz DYADHVOSUHVVLK-ZOBUZTSGSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC1(C(=O)N(C)[C@@H]2CC[N@H+](C[C@H](F)CC)C2)CCC1 ZINC001494849432 937956587 /nfs/dbraw/zinc/95/65/87/937956587.db2.gz YWEAYYKYHUKGPR-HUUCEWRRSA-N 1 1 296.430 3.014 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](N(CC)C(=O)[C@H](C)C#N)C1 ZINC001494890866 937957060 /nfs/dbraw/zinc/95/70/60/937957060.db2.gz VAUFQNAPEICAIW-HZPDHXFCSA-N 1 1 293.455 3.039 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)C[C@@H](CC)CCCC)C1 ZINC001494904156 937957243 /nfs/dbraw/zinc/95/72/43/937957243.db2.gz CQNGGEXXXCHOFV-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)CCC(=O)N(C)CC[N@H+](C)[C@@H](C)c1ccccc1 ZINC001496709147 937963778 /nfs/dbraw/zinc/96/37/78/937963778.db2.gz AWYNZPWLBZUNPL-INIZCTEOSA-N 1 1 288.435 3.494 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)c1cc[nH]c1C(C)C ZINC001496767027 937964042 /nfs/dbraw/zinc/96/40/42/937964042.db2.gz MOSAQPPLJMBHIQ-UHFFFAOYSA-N 1 1 291.439 3.108 20 30 CGEDMO C=CCCCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCCCC)C1 ZINC001496859941 937964535 /nfs/dbraw/zinc/96/45/35/937964535.db2.gz ANLUIWJGPQJCQD-IAGOWNOFSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H](C)C[N@@H+](C)CC1=CCCCC1 ZINC001498354961 937969314 /nfs/dbraw/zinc/96/93/14/937969314.db2.gz JFRDWBGIMSXVPA-CQSZACIVSA-N 1 1 278.440 3.136 20 30 CGEDMO C#Cc1ccc(C(=O)N[C@H](C)C[N@@H+](C)[C@@H](C)CCC=C)cc1 ZINC001498355267 937969330 /nfs/dbraw/zinc/96/93/30/937969330.db2.gz HYMVMTSMFKCJHV-CVEARBPZSA-N 1 1 298.430 3.073 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)C1CCCC1 ZINC001498999861 937971896 /nfs/dbraw/zinc/97/18/96/937971896.db2.gz YGJRBOKIFFYYML-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC(=O)N1CCC([C@@H]2CC[N@H+](CC(=C)C)C2)CC1 ZINC001499474745 937973572 /nfs/dbraw/zinc/97/35/72/937973572.db2.gz UVWJSNBHRCSNJJ-QGZVFWFLSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCC(C)C ZINC001499546468 937973700 /nfs/dbraw/zinc/97/37/00/937973700.db2.gz UXAIGRIQRSSXKI-CALCHBBNSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C)CCCC)C2)C1 ZINC001499603823 937973927 /nfs/dbraw/zinc/97/39/27/937973927.db2.gz PXFPUOBRLJQADX-WMZOPIPTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N(C)C1C[NH+](CC/C=C/CCC)C1 ZINC001499711431 937974582 /nfs/dbraw/zinc/97/45/82/937974582.db2.gz DFXHBOAFKLQYPB-MDZDMXLPSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@](C)(CNC(=O)C2CCC2)C1 ZINC001500469167 937977417 /nfs/dbraw/zinc/97/74/17/937977417.db2.gz NETHHDWAWROZBD-YJBOKZPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCC(C)C ZINC001501372789 937979212 /nfs/dbraw/zinc/97/92/12/937979212.db2.gz DEMNMIRWSAMQPJ-IAGOWNOFSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)CCCC(C)C)[C@@H]2C1 ZINC001501424863 937979480 /nfs/dbraw/zinc/97/94/80/937979480.db2.gz LRTORKCTXWXBKH-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H](NC(=O)C2CCCC2)CC1 ZINC001502102025 937981068 /nfs/dbraw/zinc/98/10/68/937981068.db2.gz OBQBSBZNCPIZKE-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H](NC(=O)C2(C3CC3)CC2)CC1 ZINC001502126128 937981254 /nfs/dbraw/zinc/98/12/54/937981254.db2.gz QWJCXRFBVYZKGY-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1Cc2ccc(CNC(=O)/C(C)=C\C)cc2C1 ZINC001502648499 937982746 /nfs/dbraw/zinc/98/27/46/937982746.db2.gz OBZGMEDBIZZQKX-RZNTYIFUSA-N 1 1 284.403 3.161 20 30 CGEDMO C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)/C=C(/C)CC ZINC001502522312 937982788 /nfs/dbraw/zinc/98/27/88/937982788.db2.gz OZOOPVYTPHWZTN-RXBGNRNISA-N 1 1 298.430 3.072 20 30 CGEDMO C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)/C=C(/C)CC ZINC001502522312 937982789 /nfs/dbraw/zinc/98/27/89/937982789.db2.gz OZOOPVYTPHWZTN-RXBGNRNISA-N 1 1 298.430 3.072 20 30 CGEDMO C=C(C)C[N@H+](CC)CC1CCN(C(=O)/C(C)=C\CC)CC1 ZINC001505394938 937985019 /nfs/dbraw/zinc/98/50/19/937985019.db2.gz TXLQLKCFADVMSU-PXNMLYILSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCC)C2)C1 ZINC001505468658 937985719 /nfs/dbraw/zinc/98/57/19/937985719.db2.gz CMMVNHKTKRQRKU-SJORKVTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)c1cc(C)ccc1C ZINC001506045972 937989123 /nfs/dbraw/zinc/98/91/23/937989123.db2.gz HHUIPNQDUCMICT-MRXNPFEDSA-N 1 1 288.435 3.320 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)C(C)(C)C ZINC001506563061 937990720 /nfs/dbraw/zinc/99/07/20/937990720.db2.gz WRDCUCOQEHBPFO-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)[C@H](C)CC)C[C@@]2(C)C1 ZINC001506869562 937992161 /nfs/dbraw/zinc/99/21/61/937992161.db2.gz YVWAUSAEUDWMMF-ATLSCFEFSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)CC[N@H+](C)C1CCN(C(=O)CSCCC)CC1 ZINC001506954513 937992945 /nfs/dbraw/zinc/99/29/45/937992945.db2.gz JRNAHVNHNDJKCU-UHFFFAOYSA-N 1 1 298.496 3.019 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C2(CC)CCC2)[C@@H]1C ZINC001507381031 937995703 /nfs/dbraw/zinc/99/57/03/937995703.db2.gz HWUCPHQJNQTZMD-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)[C@@H]1CC[C@H]2C[C@H]2C1)C(C)C ZINC001507813504 937996820 /nfs/dbraw/zinc/99/68/20/937996820.db2.gz PUWDDKNCASHQEM-BBWFWOEESA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)[C@@H]1CC[C@@H](C)C1)C(C)C ZINC001507840555 937997160 /nfs/dbraw/zinc/99/71/60/937997160.db2.gz KIZBEENUMMKSPM-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C1CCC(C(=O)N(CC[N@@H+](C)CC2CC2)C(C)C)CC1 ZINC001507831130 937997184 /nfs/dbraw/zinc/99/71/84/937997184.db2.gz CDHPKIPQFRVMSN-UHFFFAOYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CNC(=O)C(CC)CC)CC1 ZINC001508192178 937998556 /nfs/dbraw/zinc/99/85/56/937998556.db2.gz BBPRRPUBSDYBMB-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCC1(C(=O)N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)CCCCC1 ZINC001537409355 938110255 /nfs/dbraw/zinc/11/02/55/938110255.db2.gz ZYNRBNFEROYZGP-CVEARBPZSA-N 1 1 292.467 3.454 20 30 CGEDMO CCCCCCCCCC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001558425413 938215399 /nfs/dbraw/zinc/21/53/99/938215399.db2.gz DYWNQTJCDPFHIM-HUUCEWRRSA-N 1 1 268.445 3.336 20 30 CGEDMO C=CCC[C@@H]1CCCN1C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001558672731 938217036 /nfs/dbraw/zinc/21/70/36/938217036.db2.gz WVRNEBKKRQCXOF-QGZVFWFLSA-N 1 1 286.419 3.076 20 30 CGEDMO C=CCC[C@@H]1CCCN1C(=O)C[N@H+](C)Cc1ccccc1 ZINC001558672731 938217037 /nfs/dbraw/zinc/21/70/37/938217037.db2.gz WVRNEBKKRQCXOF-QGZVFWFLSA-N 1 1 286.419 3.076 20 30 CGEDMO CC1(C)CCC[N@@H+](CCNc2cc(F)ccc2C#N)C1 ZINC001559177165 938221662 /nfs/dbraw/zinc/22/16/62/938221662.db2.gz JILCXSVCJXPMDH-UHFFFAOYSA-N 1 1 275.371 3.231 20 30 CGEDMO C#CCOCC[N@H+](CC)Cc1ccc(C(F)(F)F)cc1 ZINC001559503840 938228011 /nfs/dbraw/zinc/22/80/11/938228011.db2.gz FABWXEHKSFUDJF-UHFFFAOYSA-N 1 1 285.309 3.177 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)Cc1cc(C#N)ccn1 ZINC001559513277 938228250 /nfs/dbraw/zinc/22/82/50/938228250.db2.gz MMTHWXUBWKJVDF-UHFFFAOYSA-N 1 1 277.371 3.184 20 30 CGEDMO C=CC[N@H+](CC1CCCCC1)[C@H](C)c1nnc(CC)[nH]1 ZINC001559538261 938228791 /nfs/dbraw/zinc/22/87/91/938228791.db2.gz UBQXOANZFTWFAL-CYBMUJFWSA-N 1 1 276.428 3.496 20 30 CGEDMO C=CC[N@@H+](CC1CCCCC1)[C@H](C)c1nnc(CC)[nH]1 ZINC001559538261 938228792 /nfs/dbraw/zinc/22/87/92/938228792.db2.gz UBQXOANZFTWFAL-CYBMUJFWSA-N 1 1 276.428 3.496 20 30 CGEDMO C#CCC[N@H+](CCC)[C@H]1C[C@H](OCC)C12CCCC2 ZINC001559550879 938229147 /nfs/dbraw/zinc/22/91/47/938229147.db2.gz TZQVQYFSWGPXIX-HOTGVXAUSA-N 1 1 263.425 3.460 20 30 CGEDMO C=C(C)CC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C ZINC001559690060 938232890 /nfs/dbraw/zinc/23/28/90/938232890.db2.gz DRGCZKKRLCULTR-KGLIPLIRSA-N 1 1 282.428 3.282 20 30 CGEDMO CCCCCCC[N@H+]1CCN(C(=O)C2CC2)CC1(C)C ZINC001559712970 938233538 /nfs/dbraw/zinc/23/35/38/938233538.db2.gz BUFWNHIXCUYNQN-UHFFFAOYSA-N 1 1 280.456 3.290 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)[C@H]1CCc2c1cccc2F ZINC001559796254 938236238 /nfs/dbraw/zinc/23/62/38/938236238.db2.gz CLRPULPOGMFXMJ-KRWDZBQOSA-N 1 1 276.399 3.253 20 30 CGEDMO C=CC[N@@H+](C)CCN(CC)[C@H]1CCc2c1cccc2F ZINC001559796254 938236239 /nfs/dbraw/zinc/23/62/39/938236239.db2.gz CLRPULPOGMFXMJ-KRWDZBQOSA-N 1 1 276.399 3.253 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)[C@H]1CCc2c1cccc2F ZINC001559796254 938236240 /nfs/dbraw/zinc/23/62/40/938236240.db2.gz CLRPULPOGMFXMJ-KRWDZBQOSA-N 1 1 276.399 3.253 20 30 CGEDMO C#CC[N@H+](Cc1cc(C)nc2ccccc12)C1CSC1 ZINC001559986621 938240985 /nfs/dbraw/zinc/24/09/85/938240985.db2.gz YRXKIQSYOFYLGE-UHFFFAOYSA-N 1 1 282.412 3.094 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CCc2c(F)cccc2F)C1 ZINC001560026847 938242226 /nfs/dbraw/zinc/24/22/26/938242226.db2.gz IOZYTOSFXBJBEM-GFCCVEGCSA-N 1 1 251.320 3.405 20 30 CGEDMO C=CCCCC[N@H+]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001560075547 938243480 /nfs/dbraw/zinc/24/34/80/938243480.db2.gz HNLKOQODUBEVLC-QGZVFWFLSA-N 1 1 275.392 3.425 20 30 CGEDMO CC(C)(C)OC[C@H]1CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001560130314 938244709 /nfs/dbraw/zinc/24/47/09/938244709.db2.gz HHVPHSYGFMIAPH-OAHLLOKOSA-N 1 1 290.382 3.477 20 30 CGEDMO C#CC[N@H+](C[C@@H]1CCO[C@H]1C)[C@@H]1CCCc2ccccc21 ZINC001560171994 938245990 /nfs/dbraw/zinc/24/59/90/938245990.db2.gz LDBXTWLJXMDZLS-VDZJLULYSA-N 1 1 283.415 3.424 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1cccc2c1OC(F)(F)O2 ZINC001560206270 938247015 /nfs/dbraw/zinc/24/70/15/938247015.db2.gz UNBQHUBMUVNPFG-NSHDSACASA-N 1 1 267.275 3.159 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1cccc2c1OC(F)(F)O2 ZINC001560206270 938247016 /nfs/dbraw/zinc/24/70/16/938247016.db2.gz UNBQHUBMUVNPFG-NSHDSACASA-N 1 1 267.275 3.159 20 30 CGEDMO CC(C)[C@@H]1C[C@@H](N2CCCC2)C[N@H+]1CCC(C)(C)C#N ZINC001560216861 938247585 /nfs/dbraw/zinc/24/75/85/938247585.db2.gz CFMWRIZMFSNISY-CVEARBPZSA-N 1 1 277.456 3.121 20 30 CGEDMO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CCC(C)(C)C#N ZINC001560216861 938247586 /nfs/dbraw/zinc/24/75/86/938247586.db2.gz CFMWRIZMFSNISY-CVEARBPZSA-N 1 1 277.456 3.121 20 30 CGEDMO Cc1cccnc1[C@H](C)[NH2+]Cc1cccc(C#N)c1F ZINC001560221407 938247598 /nfs/dbraw/zinc/24/75/98/938247598.db2.gz VJWHRMZBZRLXRD-LBPRGKRZSA-N 1 1 269.323 3.252 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@]12CCCOC2 ZINC001560237805 938248321 /nfs/dbraw/zinc/24/83/21/938248321.db2.gz FKWQRWHPSLCZPW-GOSISDBHSA-N 1 1 284.403 3.402 20 30 CGEDMO C=CCOc1cccc(CNC[C@H](C)C[NH+]2CCCC2)c1 ZINC001560274818 938250558 /nfs/dbraw/zinc/25/05/58/938250558.db2.gz QMOLETWIYPDMMT-INIZCTEOSA-N 1 1 288.435 3.073 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CNC[C@H](C)C[NH+]1CCCCC1 ZINC001560282974 938250929 /nfs/dbraw/zinc/25/09/29/938250929.db2.gz PVBBGKZSWNFJQN-HNNXBMFYSA-N 1 1 299.462 3.387 20 30 CGEDMO C#CC[C@@H]([NH2+]Cc1ccnc(OC)c1F)c1ccccc1 ZINC001560402857 938257155 /nfs/dbraw/zinc/25/71/55/938257155.db2.gz JCPCPFNTNRHBLX-OAHLLOKOSA-N 1 1 284.334 3.084 20 30 CGEDMO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1nc2ccccc2o1 ZINC001560459625 938259330 /nfs/dbraw/zinc/25/93/30/938259330.db2.gz FPRVDFCXNJMCAU-OAHLLOKOSA-N 1 1 289.338 3.477 20 30 CGEDMO N#Cc1cc(C[NH2+]Cc2cccc(C(F)(F)F)n2)cs1 ZINC001560478563 938259986 /nfs/dbraw/zinc/25/99/86/938259986.db2.gz BVTRSLNWTKFFHP-UHFFFAOYSA-N 1 1 297.305 3.323 20 30 CGEDMO C[C@@H](c1ccccc1)[N@H+](CC#Cc1ccccc1)CCO ZINC001560654749 938267919 /nfs/dbraw/zinc/26/79/19/938267919.db2.gz WOJPQVHKFQRUJQ-KRWDZBQOSA-N 1 1 279.383 3.094 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](CC2(OC)CCCCCC2)C1 ZINC001560706882 938271460 /nfs/dbraw/zinc/27/14/60/938271460.db2.gz VBJJFRMDTHEPMO-OAHLLOKOSA-N 1 1 267.413 3.003 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+]([C@@H](C)c2ncc(C(=O)OC)s2)C1 ZINC001560924148 938284499 /nfs/dbraw/zinc/28/44/99/938284499.db2.gz ZYYNTVPMMSRQFF-NWDGAFQWSA-N 1 1 294.420 3.279 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](C)c2ncc(C(=O)OC)s2)C1 ZINC001560924148 938284500 /nfs/dbraw/zinc/28/45/00/938284500.db2.gz ZYYNTVPMMSRQFF-NWDGAFQWSA-N 1 1 294.420 3.279 20 30 CGEDMO C=C(C)C[C@H]([NH2+][C@@H]1CCC[C@H](SC)C1)C(=O)OCC ZINC001560987539 938288297 /nfs/dbraw/zinc/28/82/97/938288297.db2.gz YXGXBQMEVWOCHM-RDBSUJKOSA-N 1 1 285.453 3.148 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCCCC)C[C@@H]21 ZINC001222270915 960403754 /nfs/dbraw/zinc/40/37/54/960403754.db2.gz JRMOPJHUAMVZRI-SJORKVTESA-N 1 1 292.467 3.456 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@]3(C2)CCCOC3)ccc1Cl ZINC001238191550 960411456 /nfs/dbraw/zinc/41/14/56/960411456.db2.gz NHQVNKFKIMRANR-INIZCTEOSA-N 1 1 290.794 3.214 20 30 CGEDMO CCCCCCC[NH+]1CC(N(C)C(=O)c2occc2C)C1 ZINC001569483007 960447477 /nfs/dbraw/zinc/44/74/77/960447477.db2.gz HGPBZPFGHNYSAD-UHFFFAOYSA-N 1 1 292.423 3.315 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@@H]1CC ZINC001566488165 960561854 /nfs/dbraw/zinc/56/18/54/960561854.db2.gz IUIWQEDZIWDPIX-JKSUJKDBSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)CCC)C1 ZINC001566734805 960570550 /nfs/dbraw/zinc/57/05/50/960570550.db2.gz ALTCACXZIJOIHD-CVEARBPZSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCCC(=O)N(C)[C@@H]1CC[N@H+]([C@@H](C)CCC=C)C1 ZINC001567920261 960602104 /nfs/dbraw/zinc/60/21/04/960602104.db2.gz ALQXNBGDWFDTPT-JKSUJKDBSA-N 1 1 278.440 3.230 20 30 CGEDMO C=CC(C)(C)CCCNC(=O)NC[C@@H]1CCC[N@@H+]1CCC ZINC001564717821 960676491 /nfs/dbraw/zinc/67/64/91/960676491.db2.gz WFQVUDPWEHFJIZ-HNNXBMFYSA-N 1 1 295.471 3.152 20 30 CGEDMO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001565829164 960830350 /nfs/dbraw/zinc/83/03/50/960830350.db2.gz ZLKOCWVWXFAROH-MPGHIAIKSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001565829164 960830377 /nfs/dbraw/zinc/83/03/77/960830377.db2.gz ZLKOCWVWXFAROH-MPGHIAIKSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@H](C)CC(C)C ZINC001565831829 960836325 /nfs/dbraw/zinc/83/63/25/960836325.db2.gz OMZJXWZWPISUNM-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)C1(C2CCCCC2)CC1 ZINC001565831233 960836769 /nfs/dbraw/zinc/83/67/69/960836769.db2.gz CLNVUWIDMJJXFR-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(C2CCCCC2)CC1 ZINC001565831233 960836784 /nfs/dbraw/zinc/83/67/84/960836784.db2.gz CLNVUWIDMJJXFR-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C1(CCCC)CC1 ZINC001565826161 960842417 /nfs/dbraw/zinc/84/24/17/960842417.db2.gz GTIZHINPYXAAAE-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC(CC)CC)C[C@@H]2C1 ZINC001566051885 960865011 /nfs/dbraw/zinc/86/50/11/960865011.db2.gz IVWQEPMBGBARAM-SJORKVTESA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)C1(F)CCCCC1 ZINC001566505349 960943167 /nfs/dbraw/zinc/94/31/67/960943167.db2.gz GGPRVIRBVVOUFR-OAHLLOKOSA-N 1 1 298.446 3.452 20 30 CGEDMO C=CCCC[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@H](C)C1 ZINC001566486551 960944966 /nfs/dbraw/zinc/94/49/66/960944966.db2.gz IGMUZLJJIMIATN-JKSUJKDBSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)[C@]1(C)CCC[C@H]1CC)C1CC1 ZINC001566589997 960959326 /nfs/dbraw/zinc/95/93/26/960959326.db2.gz IUHPXIIUQXEQAM-CRAIPNDOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C(C)C)C1 ZINC001566622991 960972537 /nfs/dbraw/zinc/97/25/37/960972537.db2.gz DVCJKTNLFHKDCA-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CCCCCC(=O)N[C@@H]1CC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC001566659412 960974649 /nfs/dbraw/zinc/97/46/49/960974649.db2.gz ABNFYNXNXCXTKB-DLBZAZTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)CC/C=C/c2ccccc2)C1 ZINC001566671835 960975517 /nfs/dbraw/zinc/97/55/17/960975517.db2.gz BXANAAWUNKAIGR-WGLAMXGCSA-N 1 1 298.430 3.247 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)C(C)C)C1 ZINC001566879093 961053055 /nfs/dbraw/zinc/05/30/55/961053055.db2.gz YKLUGTXSNVUXSR-HOTGVXAUSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCC[N@H+]1CCCC[C@H]1CNC(=O)C1CC2(CC2)C1 ZINC001566925628 961062172 /nfs/dbraw/zinc/06/21/72/961062172.db2.gz LZJYHLHOERTQAD-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CC(C)(C)CC)C1 ZINC001566962818 961071710 /nfs/dbraw/zinc/07/17/10/961071710.db2.gz MCNYORAKKQZXRQ-CVEARBPZSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001567185849 961132270 /nfs/dbraw/zinc/13/22/70/961132270.db2.gz ASZHVHOVMSAZST-KRWDZBQOSA-N 1 1 286.419 3.189 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CC)CCNC(=O)c1cc(C)oc1C ZINC001567326510 961277787 /nfs/dbraw/zinc/27/77/87/961277787.db2.gz LTAGFBKWWTXMCL-CYBMUJFWSA-N 1 1 292.423 3.303 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1CC=CCC1 ZINC001567326711 961284243 /nfs/dbraw/zinc/28/42/43/961284243.db2.gz SLMHLVRPBHJUHR-JKSUJKDBSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CC)CCNC(=O)c1cc(C)cs1 ZINC001567331645 961288440 /nfs/dbraw/zinc/28/84/40/961288440.db2.gz DIRGQUWOSKKKJH-CQSZACIVSA-N 1 1 294.464 3.463 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)C12CCC(CC1)C2(C)C ZINC001567347029 961293906 /nfs/dbraw/zinc/29/39/06/961293906.db2.gz NDUZGYUUIPVQAX-UHFFFAOYSA-N 1 1 292.467 3.217 20 30 CGEDMO CC#CCCCC(=O)NC[C@@H]1CCC[N@H+]1CCCC(C)C ZINC001567374107 961312400 /nfs/dbraw/zinc/31/24/00/961312400.db2.gz RCCBYVZBOHXBAO-KRWDZBQOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](CNC(=O)C2(C)CCCCC2)C1 ZINC001567411335 961323385 /nfs/dbraw/zinc/32/33/85/961323385.db2.gz HACRKPPFJJYKAQ-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](CNC(=O)C(C)=C2CCC2)C1 ZINC001567399857 961325644 /nfs/dbraw/zinc/32/56/44/961325644.db2.gz DFNGIYMLBVEWBM-GDBMZVCRSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)c1cccc(C)c1C)C1CC1 ZINC001567453409 961356586 /nfs/dbraw/zinc/35/65/86/961356586.db2.gz CTDPNRXQGNXQLM-UHFFFAOYSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)CC(C)=C(C)C)C1 ZINC001567686527 961395200 /nfs/dbraw/zinc/39/52/00/961395200.db2.gz NUQPGJCQNGZMIC-MRXNPFEDSA-N 1 1 278.440 3.232 20 30 CGEDMO C#CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H](CCC)C(C)C)C1 ZINC001567688166 961400636 /nfs/dbraw/zinc/40/06/36/961400636.db2.gz IXLIITYZJSBZOX-IAGOWNOFSA-N 1 1 292.467 3.005 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H](CCC)C(C)C)C1 ZINC001567688166 961400647 /nfs/dbraw/zinc/40/06/47/961400647.db2.gz IXLIITYZJSBZOX-IAGOWNOFSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)C[C@H](C)CC)C1 ZINC001567698073 961406391 /nfs/dbraw/zinc/40/63/91/961406391.db2.gz KLFVHGBNVVXLBL-TZMCWYRMSA-N 1 1 286.847 3.003 20 30 CGEDMO C=CC(C)(C)CC(=O)NCC[C@@H]1CC[N@H+](C[C@@H](C)CC)C1 ZINC001567701275 961408347 /nfs/dbraw/zinc/40/83/47/961408347.db2.gz GHKDJNRVSKGPPE-JKSUJKDBSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)CC2(C)CC2)C1 ZINC001567733141 961418096 /nfs/dbraw/zinc/41/80/96/961418096.db2.gz MEIIVOVNHVQTEU-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C2(CC(C)C)CCCC2)C1 ZINC001567767122 961425721 /nfs/dbraw/zinc/42/57/21/961425721.db2.gz JECLHUYPBVTDBX-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCCCC[N@H+]1CCC[C@H](NC(=O)C#CC(C)(C)C)C1 ZINC001567773670 961429310 /nfs/dbraw/zinc/42/93/10/961429310.db2.gz XYCQZWDNNQQFDX-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[NH+]1CC(NC(=O)c2cccc(C(F)F)c2)C1 ZINC001567813562 961436504 /nfs/dbraw/zinc/43/65/04/961436504.db2.gz IJEXTBHAUWJODE-UHFFFAOYSA-N 1 1 294.345 3.004 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)CCCCC ZINC001567866098 961442210 /nfs/dbraw/zinc/44/22/10/961442210.db2.gz GXXGBYRGCRMNLE-IKGGRYGDSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](F)CC)C1 ZINC001567918629 961459482 /nfs/dbraw/zinc/45/94/82/961459482.db2.gz MDVNZCOYHHIZTE-CABCVRRESA-N 1 1 284.419 3.014 20 30 CGEDMO C#CCCCC(=O)N(CC)[C@@H]1CC[N@@H+](CCCC(C)C)C1 ZINC001567936839 961459631 /nfs/dbraw/zinc/45/96/31/961459631.db2.gz YRARNKKZTAFAPP-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO CC#CCCCC(=O)N(C)[C@H]1CC[N@H+](CCCCCC)C1 ZINC001567919267 961460352 /nfs/dbraw/zinc/46/03/52/961460352.db2.gz XSAZAAVNKVINCZ-KRWDZBQOSA-N 1 1 292.467 3.293 20 30 CGEDMO C=CCC[N@H+](C)CCC1CCN(C(=O)C=C2CCC2)CC1 ZINC001568436522 961573438 /nfs/dbraw/zinc/57/34/38/961573438.db2.gz MPAYLKWHDUFNMJ-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2CN(C(=O)CCCCCC)CC[C@@H]21 ZINC001568515487 961602346 /nfs/dbraw/zinc/60/23/46/961602346.db2.gz LKUAQXZORUMHSM-IRXDYDNUSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)C1(CC=C)CCCC1 ZINC001568506917 961607699 /nfs/dbraw/zinc/60/76/99/961607699.db2.gz PXVDBENJOBGNKF-UHFFFAOYSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(CC)CC)CC[C@@H]21 ZINC001568507286 961608574 /nfs/dbraw/zinc/60/85/74/961608574.db2.gz ATKOZCMQMFEEIZ-SJORKVTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H](C)C[NH2+]C/C(Cl)=C\Cl ZINC001569075873 961679199 /nfs/dbraw/zinc/67/91/99/961679199.db2.gz HXASJFZJCUOEJV-WKRXVSLGSA-N 1 1 293.238 3.002 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)c1cc(C(C)C)oc1C ZINC001569145689 961709959 /nfs/dbraw/zinc/70/99/59/961709959.db2.gz OAJIQMUJLQWEDC-CYBMUJFWSA-N 1 1 292.423 3.338 20 30 CGEDMO C=CCC(CC=C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C(C)C ZINC001569459440 961767679 /nfs/dbraw/zinc/76/76/79/961767679.db2.gz FGENMINUCPOOKZ-CALCHBBNSA-N 1 1 290.451 3.229 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C)CC)C2)C1 ZINC001569464121 961780549 /nfs/dbraw/zinc/78/05/49/961780549.db2.gz HSGIHTDHLVZEOT-WMZOPIPTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC(=O)N[C@]1(C)CC[N@@H+](CCC2CCCC2)C1 ZINC001569632142 961810731 /nfs/dbraw/zinc/81/07/31/961810731.db2.gz NCJPVJKQMRCHAF-QGZVFWFLSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001569646374 961815828 /nfs/dbraw/zinc/81/58/28/961815828.db2.gz JAKNVVCTPDWQGJ-YJBOKZPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)C(C)=C2CCCC2)C1 ZINC001569712405 961829210 /nfs/dbraw/zinc/82/92/10/961829210.db2.gz VACHLFLUGKQKKF-SFHVURJKSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(C)C)C2 ZINC001569795803 961842644 /nfs/dbraw/zinc/84/26/44/961842644.db2.gz MDUYJKQELMNXIY-XHSDSOJGSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CN(C(=O)C[C@H](C)CC(C)C)C[C@H]2C1 ZINC001569882878 961855503 /nfs/dbraw/zinc/85/55/03/961855503.db2.gz YTYXIVNTWXMYTM-ZACQAIPSSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCC1(C(=O)N[C@H](C)C[N@H+](CC)CCC)CCCC1 ZINC001569876574 961865845 /nfs/dbraw/zinc/86/58/45/961865845.db2.gz NGIIRWGGASPOGV-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@H+](C)Cc1ccccc1CNC(=O)C[C@H](C)CC ZINC001570025857 961884197 /nfs/dbraw/zinc/88/41/97/961884197.db2.gz OSBWLNAPCIQXOX-OAHLLOKOSA-N 1 1 288.435 3.357 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC2(C)C)CC1 ZINC001570182237 961920237 /nfs/dbraw/zinc/92/02/37/961920237.db2.gz YOECHPDJFKMOLE-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC)CC(C)C)CC1 ZINC001570185531 961927543 /nfs/dbraw/zinc/92/75/43/961927543.db2.gz NCUBHSNQQLFAQZ-DLBZAZTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1CC[N@H+](CCC)CC1(C)C ZINC001570397949 961960831 /nfs/dbraw/zinc/96/08/31/961960831.db2.gz RMIPFLBEFPUVPS-YOEHRIQHSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)C[C@@H](C)CC ZINC001570537887 961984762 /nfs/dbraw/zinc/98/47/62/961984762.db2.gz IQLVJEOAWQTPGS-LSDHHAIUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C1=CCCCCC1 ZINC001570527301 961992016 /nfs/dbraw/zinc/99/20/16/961992016.db2.gz FFABVMRHDGFYQU-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCCC)C[C@H]2C1 ZINC001571007202 962107976 /nfs/dbraw/zinc/10/79/76/962107976.db2.gz BXGQQALSQRCESQ-ULQDDVLXSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1C[N@H+](C[C@@H](C)CC)CC1(C)C ZINC001570905190 962109605 /nfs/dbraw/zinc/10/96/05/962109605.db2.gz PDEXNHVEKHFJFO-GJZGRUSLSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC1(C(=O)N2CC3(C2)CCC[N@H+](CC)C3)CCCC1 ZINC001571053101 962118560 /nfs/dbraw/zinc/11/85/60/962118560.db2.gz AWAQBXGLPQCSGQ-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)c2occc2Cl)CC1 ZINC001571334197 962133524 /nfs/dbraw/zinc/13/35/24/962133524.db2.gz PEJWXFSDZCNJMC-UHFFFAOYSA-N 1 1 296.798 3.046 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)[C@@H](CC)CCCC)CC1 ZINC001571328545 962135845 /nfs/dbraw/zinc/13/58/45/962135845.db2.gz YMOFHNYVZRBZAV-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)CC(C)=C(C)C)CCC[C@@H]12 ZINC001571503819 962165999 /nfs/dbraw/zinc/16/59/99/962165999.db2.gz WIQWHKSZNGWAPU-WBVHZDCISA-N 1 1 276.424 3.032 20 30 CGEDMO CC(C)CC[N@H+]1CCC[C@H](NC(=O)C#CC(C)(C)C)[C@H]1C ZINC001571518968 962169393 /nfs/dbraw/zinc/16/93/93/962169393.db2.gz MPYIKSHLGWWXGP-CVEARBPZSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)C)[C@H]1C ZINC001571514854 962170800 /nfs/dbraw/zinc/17/08/00/962170800.db2.gz KXQNVTSHMPXGOL-HZPDHXFCSA-N 1 1 280.456 3.358 20 30 CGEDMO CCc1cc(C)c(OC(=O)[C@@H]([NH3+])CCCCC#N)c(C)c1 ZINC001578246810 962576688 /nfs/dbraw/zinc/57/66/88/962576688.db2.gz HCHYFZYPAUQIDK-HNNXBMFYSA-N 1 1 288.391 3.183 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCOC1 ZINC000589744576 346810584 /nfs/dbraw/zinc/81/05/84/346810584.db2.gz UYBZJIRFPYZFNE-QGZVFWFLSA-N 1 1 286.419 3.487 20 30 CGEDMO COc1cccc(C[N@@H+](CCOCCC#N)CC(C)C)c1 ZINC000590156436 346832826 /nfs/dbraw/zinc/83/28/26/346832826.db2.gz MVBABFBVTQPURQ-UHFFFAOYSA-N 1 1 290.407 3.083 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3ccccn3)C2)cc1 ZINC000590599316 346853683 /nfs/dbraw/zinc/85/36/83/346853683.db2.gz GIHIQXRYAJGXEH-QGZVFWFLSA-N 1 1 277.371 3.333 20 30 CGEDMO C=CC[C@H]1CC[C@H]([NH2+]C2CCN(CCC)CC2)C1 ZINC000651749775 398282003 /nfs/dbraw/zinc/28/20/03/398282003.db2.gz JRHJGCGZFWCUIP-HOCLYGCPSA-N 1 1 250.430 3.195 20 30 CGEDMO CC[C@@H](C)[C@@H]1CCCC[N@H+]1Cc1nc(C#N)cs1 ZINC000356107387 529406731 /nfs/dbraw/zinc/40/67/31/529406731.db2.gz CUEPNHRMOKBUCP-YPMHNXCESA-N 1 1 263.410 3.415 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)[C@H](C)CCO)cc1Cl ZINC000652047100 398320167 /nfs/dbraw/zinc/32/01/67/398320167.db2.gz HLIXHMXMLQBLNA-GFCCVEGCSA-N 1 1 283.799 3.108 20 30 CGEDMO Cc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2C)nc1 ZINC000590754836 346871682 /nfs/dbraw/zinc/87/16/82/346871682.db2.gz RGPKKYQYNWQMAT-UHFFFAOYSA-N 1 1 265.360 3.202 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@H](CCCO)C2)cc1 ZINC000590765938 346873133 /nfs/dbraw/zinc/87/31/33/346873133.db2.gz SHQQADUFADIRHQ-HNNXBMFYSA-N 1 1 286.419 3.082 20 30 CGEDMO C[C@H](CCC#N)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000591015666 346894231 /nfs/dbraw/zinc/89/42/31/346894231.db2.gz WAKOACADPILGQL-IAGOWNOFSA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@H](CCC#N)[N@@H+]1CCN(Cc2ccccc2)CC[C@H]1C ZINC000591015666 346894234 /nfs/dbraw/zinc/89/42/34/346894234.db2.gz WAKOACADPILGQL-IAGOWNOFSA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCN(Cc2ccccc2)CC[C@H]1C ZINC000591015666 346894236 /nfs/dbraw/zinc/89/42/36/346894236.db2.gz WAKOACADPILGQL-IAGOWNOFSA-N 1 1 285.435 3.275 20 30 CGEDMO CC[C@@H](C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1)OC ZINC000412977314 529472978 /nfs/dbraw/zinc/47/29/78/529472978.db2.gz LVWDIYJYAPDVAU-BBRMVZONSA-N 1 1 260.381 3.366 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+]([C@H](C)[C@H](C)CC)C1CC1 ZINC000591474404 346926004 /nfs/dbraw/zinc/92/60/04/346926004.db2.gz CEZZVAZSUOTIGK-HUUCEWRRSA-N 1 1 280.456 3.310 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H](C[NH3+])C1CCCC1 ZINC000591582516 346929699 /nfs/dbraw/zinc/92/96/99/346929699.db2.gz YMBPCRCTDTZLPI-MSOLQXFVSA-N 1 1 283.419 3.043 20 30 CGEDMO CCCNc1ccc(C[NH2+]C[C@H](C#N)CCC#N)cc1 ZINC000591771824 346935349 /nfs/dbraw/zinc/93/53/49/346935349.db2.gz UINNTSCTZZIUPO-HNNXBMFYSA-N 1 1 270.380 3.042 20 30 CGEDMO CCc1ccc([C@H](CO)[NH2+]Cc2cccc(C#N)c2F)cc1 ZINC000359624999 529724335 /nfs/dbraw/zinc/72/43/35/529724335.db2.gz KCYOCCAZUHZVBU-KRWDZBQOSA-N 1 1 298.361 3.083 20 30 CGEDMO CC(C)[N@H+](Cc1ccccc1)Cc1ccncc1C#N ZINC000592059077 346958311 /nfs/dbraw/zinc/95/83/11/346958311.db2.gz UWUMBGYOLQALDS-UHFFFAOYSA-N 1 1 265.360 3.364 20 30 CGEDMO CC(C)[N@@H+](Cc1ccccc1)Cc1ccncc1C#N ZINC000592059077 346958314 /nfs/dbraw/zinc/95/83/14/346958314.db2.gz UWUMBGYOLQALDS-UHFFFAOYSA-N 1 1 265.360 3.364 20 30 CGEDMO N#Cc1cnccc1C[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000592058653 346958341 /nfs/dbraw/zinc/95/83/41/346958341.db2.gz JPJFFWFUCHGNDE-SFHVURJKSA-N 1 1 277.371 3.160 20 30 CGEDMO C[C@H](C[N@@H+](C)Cc1ccncc1C#N)c1ccccc1 ZINC000592067038 346959640 /nfs/dbraw/zinc/95/96/40/346959640.db2.gz NPUUGKAGIRCFCB-CQSZACIVSA-N 1 1 265.360 3.189 20 30 CGEDMO CC(C)c1ccc([C@H](C)[N@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592151321 346967981 /nfs/dbraw/zinc/96/79/81/346967981.db2.gz LNVKWHYBJNVZIM-YOEHRIQHSA-N 1 1 272.392 3.221 20 30 CGEDMO C[C@@]1(Cc2ccccc2F)CCC[N@H+]1CCOCCC#N ZINC000592143821 346966621 /nfs/dbraw/zinc/96/66/21/346966621.db2.gz QNLDPKIKBKHYHE-KRWDZBQOSA-N 1 1 290.382 3.153 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000592188941 346970232 /nfs/dbraw/zinc/97/02/32/346970232.db2.gz VHMCRQKIYCQADQ-CQSZACIVSA-N 1 1 270.376 3.010 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CC2(CCCC2)O1 ZINC000592187858 346970580 /nfs/dbraw/zinc/97/05/80/346970580.db2.gz MBDXLNFVWPFDNB-CQSZACIVSA-N 1 1 270.376 3.092 20 30 CGEDMO CN1C[C@@H](C[NH2+][C@H]2CCC[C@@H](C#N)C2)[C@H](c2ccccc2)C1 ZINC000592404324 346985115 /nfs/dbraw/zinc/98/51/15/346985115.db2.gz XMFXXROJZBEGEP-YSHGAJCASA-N 1 1 297.446 3.004 20 30 CGEDMO CC1(CC(F)F)C[NH+](Cc2cc(C#N)cs2)C1 ZINC000592523633 346995754 /nfs/dbraw/zinc/99/57/54/346995754.db2.gz PGHOGFSSDOHSGY-UHFFFAOYSA-N 1 1 256.321 3.097 20 30 CGEDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccc(CC#N)cc1 ZINC000592746704 347015644 /nfs/dbraw/zinc/01/56/44/347015644.db2.gz AKJFJDHRKZMBGG-ZDUSSCGKSA-N 1 1 296.374 3.101 20 30 CGEDMO CC[N@@H+](CCc1cncc(C)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000592998720 347026009 /nfs/dbraw/zinc/02/60/09/347026009.db2.gz FXQRYNWRWKRZJJ-OAHLLOKOSA-N 1 1 294.402 3.282 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593117982 347041889 /nfs/dbraw/zinc/04/18/89/347041889.db2.gz UOZFKOLUCDEXNS-SMDDNHRTSA-N 1 1 262.303 3.350 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@@H]1CCCO1 ZINC000356093994 529984218 /nfs/dbraw/zinc/98/42/18/529984218.db2.gz VPQISUZMMFSNJZ-ZDUSSCGKSA-N 1 1 298.308 3.188 20 30 CGEDMO CC(C)[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000030148956 344921276 /nfs/dbraw/zinc/92/12/76/344921276.db2.gz GRDXMAJLONFUON-LLVKDONJSA-N 1 1 293.798 3.126 20 30 CGEDMO CCCC[N@@H+](CC)CC(=O)N(CCC#N)c1ccccc1 ZINC000052877611 345109691 /nfs/dbraw/zinc/10/96/91/345109691.db2.gz ZIZWFUNGRBQADJ-UHFFFAOYSA-N 1 1 287.407 3.055 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000057847890 345189119 /nfs/dbraw/zinc/18/91/19/345189119.db2.gz KSLASNBVSXLYFU-CYBMUJFWSA-N 1 1 294.826 3.415 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1CC(C)(C)C ZINC000060889863 345224282 /nfs/dbraw/zinc/22/42/82/345224282.db2.gz UNNBYLWODOBANW-HNNXBMFYSA-N 1 1 278.440 3.088 20 30 CGEDMO CC[N@H+](CCc1ccccc1Cl)C[C@@H](C)C#N ZINC000058922245 345204298 /nfs/dbraw/zinc/20/42/98/345204298.db2.gz YBRYCBLTLQRVRL-LBPRGKRZSA-N 1 1 250.773 3.364 20 30 CGEDMO CC[N@@H+](CCc1ccccc1Cl)C[C@@H](C)C#N ZINC000058922245 345204301 /nfs/dbraw/zinc/20/43/01/345204301.db2.gz YBRYCBLTLQRVRL-LBPRGKRZSA-N 1 1 250.773 3.364 20 30 CGEDMO CC[N@@H+](CCCOc1ccc(F)cc1)C[C@H](C)C#N ZINC000060569269 345219772 /nfs/dbraw/zinc/21/97/72/345219772.db2.gz WOYQSYKQCMIQNX-CYBMUJFWSA-N 1 1 264.344 3.076 20 30 CGEDMO C[C@@H](CC#N)[NH2+]Cc1ccc(OCc2cccnc2)cc1 ZINC000067406313 345320781 /nfs/dbraw/zinc/32/07/81/345320781.db2.gz LIFVAIYXAVMEMU-AWEZNQCLSA-N 1 1 281.359 3.052 20 30 CGEDMO C[C@H](c1ccccc1F)[N@H+](C)Cc1ccnc(C#N)c1 ZINC000068766733 345361841 /nfs/dbraw/zinc/36/18/41/345361841.db2.gz ZQDFXFPBWGRNIS-GFCCVEGCSA-N 1 1 269.323 3.285 20 30 CGEDMO C[C@H](c1ccccc1F)[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000068766733 345361845 /nfs/dbraw/zinc/36/18/45/345361845.db2.gz ZQDFXFPBWGRNIS-GFCCVEGCSA-N 1 1 269.323 3.285 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]2C2CCCC2)ccn1 ZINC000068766514 345362046 /nfs/dbraw/zinc/36/20/46/345362046.db2.gz AOKFGGXVPATVHT-MRXNPFEDSA-N 1 1 255.365 3.108 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)CCC(=O)N1CCC[C@@H]1C ZINC000072692745 345415951 /nfs/dbraw/zinc/41/59/51/345415951.db2.gz IMIUYYFICLOHKE-HNNXBMFYSA-N 1 1 293.455 3.039 20 30 CGEDMO Cc1ccccc1[C@@H]1C[N@H+](CCCSCC#N)CCO1 ZINC000074991492 345489455 /nfs/dbraw/zinc/48/94/55/345489455.db2.gz PZRCODDEBJYSKU-INIZCTEOSA-N 1 1 290.432 3.015 20 30 CGEDMO Cc1ccccc1[C@@H]1C[N@@H+](CCCSCC#N)CCO1 ZINC000074991492 345489461 /nfs/dbraw/zinc/48/94/61/345489461.db2.gz PZRCODDEBJYSKU-INIZCTEOSA-N 1 1 290.432 3.015 20 30 CGEDMO N#CCCC[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000076152598 345535639 /nfs/dbraw/zinc/53/56/39/345535639.db2.gz QKLAWZVSUNMMPN-JKSUJKDBSA-N 1 1 253.349 3.062 20 30 CGEDMO N#CCCC[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000076152598 345535640 /nfs/dbraw/zinc/53/56/40/345535640.db2.gz QKLAWZVSUNMMPN-JKSUJKDBSA-N 1 1 253.349 3.062 20 30 CGEDMO C=CC[N@H+](CCc1cnn(C)c1)CC1CCCCC1 ZINC000077312202 345567709 /nfs/dbraw/zinc/56/77/09/345567709.db2.gz LDMWHYBTQZVZPQ-UHFFFAOYSA-N 1 1 261.413 3.031 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000084135260 345730007 /nfs/dbraw/zinc/73/00/07/345730007.db2.gz JVZAGFFWIAAWJH-MRXNPFEDSA-N 1 1 271.360 3.391 20 30 CGEDMO CCC[N@H+]1CC[C@@H](CNc2c(C#N)cnc3ccccc32)C1 ZINC000091457859 345815281 /nfs/dbraw/zinc/81/52/81/345815281.db2.gz CIBSRVNQXKRBFK-AWEZNQCLSA-N 1 1 294.402 3.250 20 30 CGEDMO Cc1ncc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2F)s1 ZINC000090408534 345787278 /nfs/dbraw/zinc/78/72/78/345787278.db2.gz ABRQJUKNWCGYTJ-SECBINFHSA-N 1 1 275.352 3.313 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](CCO)CC2CC2)cc1Cl ZINC000092505819 345842559 /nfs/dbraw/zinc/84/25/59/345842559.db2.gz SBJSOCADQQLPTB-UHFFFAOYSA-N 1 1 295.810 3.109 20 30 CGEDMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000092063915 345829170 /nfs/dbraw/zinc/82/91/70/345829170.db2.gz BCOFGQFGZKVYHJ-YVEFUNNKSA-N 1 1 298.411 3.444 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](CC)C[C@@H]2CCCO2)cc1 ZINC000092406774 345837918 /nfs/dbraw/zinc/83/79/18/345837918.db2.gz CFDCJGXQZMGPTE-KRWDZBQOSA-N 1 1 275.392 3.252 20 30 CGEDMO C=C(C)C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117353740 345983309 /nfs/dbraw/zinc/98/33/09/345983309.db2.gz YBQNVIKBFPWUAA-UHFFFAOYSA-N 1 1 261.209 3.379 20 30 CGEDMO C=C(C)C[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000117353740 345983311 /nfs/dbraw/zinc/98/33/11/345983311.db2.gz YBQNVIKBFPWUAA-UHFFFAOYSA-N 1 1 261.209 3.379 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccc(C(=O)OC)cc1F ZINC000135581248 346088740 /nfs/dbraw/zinc/08/87/40/346088740.db2.gz JHMKWMREYDHKRZ-UHFFFAOYSA-N 1 1 265.328 3.010 20 30 CGEDMO CC[N@@H+](CCCOc1cccc(C#N)c1)Cc1ccoc1 ZINC000156024926 346156820 /nfs/dbraw/zinc/15/68/20/346156820.db2.gz OEIMZKZNHKNIOE-UHFFFAOYSA-N 1 1 284.359 3.442 20 30 CGEDMO C=C(Br)CNc1cc[nH+]cc1Br ZINC000168337431 346190237 /nfs/dbraw/zinc/19/02/37/346190237.db2.gz JJQDOHRTLFKOBY-UHFFFAOYSA-N 1 1 291.974 3.165 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H](C(F)(F)F)C2)c1 ZINC000311612112 346473754 /nfs/dbraw/zinc/47/37/54/346473754.db2.gz FKVNFBTZCAUWPY-NSHDSACASA-N 1 1 272.245 3.082 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](C(F)(F)F)C2)c1 ZINC000311612112 346473757 /nfs/dbraw/zinc/47/37/57/346473757.db2.gz FKVNFBTZCAUWPY-NSHDSACASA-N 1 1 272.245 3.082 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000319366262 346487036 /nfs/dbraw/zinc/48/70/36/346487036.db2.gz HSKSBTWYGWSCHV-GUDVDZBRSA-N 1 1 298.430 3.382 20 30 CGEDMO Cc1nn(-c2ccccc2)cc1C[NH2+]CC1(C#N)CCCC1 ZINC000593650732 347099521 /nfs/dbraw/zinc/09/95/21/347099521.db2.gz YYYFEONBDZIJBE-UHFFFAOYSA-N 1 1 294.402 3.354 20 30 CGEDMO N#CC1(C[NH2+]Cc2cnn(-c3ccccc3)c2)CCCC1 ZINC000593649759 347099536 /nfs/dbraw/zinc/09/95/36/347099536.db2.gz JTBCGIITZAEATQ-UHFFFAOYSA-N 1 1 280.375 3.046 20 30 CGEDMO Cc1cc(Br)ccc1C[NH2+][C@@H](C)CC#N ZINC000389883554 346573692 /nfs/dbraw/zinc/57/36/92/346573692.db2.gz PUXPLZWCRQEZGZ-JTQLQIEISA-N 1 1 267.170 3.149 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000397852343 346585551 /nfs/dbraw/zinc/58/55/51/346585551.db2.gz SEFFVYHTXZRCBV-AWEZNQCLSA-N 1 1 265.360 3.360 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000397867637 346585582 /nfs/dbraw/zinc/58/55/82/346585582.db2.gz WQMVERMKGMXOSX-CABCVRRESA-N 1 1 262.397 3.104 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCSC[C@@H]2C2CC2)cc1 ZINC000451656035 346621242 /nfs/dbraw/zinc/62/12/42/346621242.db2.gz SBBMACFKTSMPED-MRXNPFEDSA-N 1 1 275.392 3.005 20 30 CGEDMO C[C@H]1CC[C@@]2(CC[N@@H+](Cc3ccc(C#N)cc3[N+](=O)[O-])C2)C1 ZINC000584722477 346710074 /nfs/dbraw/zinc/71/00/74/346710074.db2.gz NZSRLNLORLGYHL-SUMWQHHRSA-N 1 1 299.374 3.479 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000588782926 346768664 /nfs/dbraw/zinc/76/86/64/346768664.db2.gz ZTWFKONHSHVVIN-SFHVURJKSA-N 1 1 298.430 3.196 20 30 CGEDMO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)CC(C)(C)CCC#N ZINC000593696435 347105054 /nfs/dbraw/zinc/10/50/54/347105054.db2.gz FIZDMCFPJWMMBG-CYBMUJFWSA-N 1 1 282.428 3.368 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000589278465 346792049 /nfs/dbraw/zinc/79/20/49/346792049.db2.gz SJWOERKQWQKRNI-GFCCVEGCSA-N 1 1 264.319 3.344 20 30 CGEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CCCCC#N)C1 ZINC000594288121 347168411 /nfs/dbraw/zinc/16/84/11/347168411.db2.gz KMNKFTUWVPVSIF-HNNXBMFYSA-N 1 1 293.455 3.087 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594612927 347204088 /nfs/dbraw/zinc/20/40/88/347204088.db2.gz PPFSAIFLBXZKFZ-HNNXBMFYSA-N 1 1 264.413 3.350 20 30 CGEDMO CC[C@@H](C)[N@H+](C)CCNCc1ccc(C(C)(C)C#N)cc1 ZINC000594501837 347180207 /nfs/dbraw/zinc/18/02/07/347180207.db2.gz DAHVWJNSBUZZDQ-OAHLLOKOSA-N 1 1 287.451 3.308 20 30 CGEDMO CC[C@@H](C)[N@@H+](C)CCNCc1ccc(C(C)(C)C#N)cc1 ZINC000594501837 347180209 /nfs/dbraw/zinc/18/02/09/347180209.db2.gz DAHVWJNSBUZZDQ-OAHLLOKOSA-N 1 1 287.451 3.308 20 30 CGEDMO C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1nccn1C ZINC000594516241 347186698 /nfs/dbraw/zinc/18/66/98/347186698.db2.gz BYANRPBBQQIGHU-CYBMUJFWSA-N 1 1 280.375 3.022 20 30 CGEDMO CCC[N@@H+]1CC[C@H](NCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594992538 347250855 /nfs/dbraw/zinc/25/08/55/347250855.db2.gz UCFFPJVTQNVKBQ-KRWDZBQOSA-N 1 1 285.435 3.062 20 30 CGEDMO CCC[N@H+]1CC[C@H](NCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594992538 347250859 /nfs/dbraw/zinc/25/08/59/347250859.db2.gz UCFFPJVTQNVKBQ-KRWDZBQOSA-N 1 1 285.435 3.062 20 30 CGEDMO CC[NH+](CC)C[C@H](C)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594919634 347229629 /nfs/dbraw/zinc/22/96/29/347229629.db2.gz IDDYTXXOFSEGHN-HNNXBMFYSA-N 1 1 285.435 3.062 20 30 CGEDMO C[C@H](CNCc1ccc(C2(C#N)CC2)cc1)C[NH+]1CCCC1 ZINC000594924594 347230832 /nfs/dbraw/zinc/23/08/32/347230832.db2.gz KCODTLONFLMROQ-MRXNPFEDSA-N 1 1 297.446 3.063 20 30 CGEDMO Cc1cccc2ncc(C[NH2+]CC3(C#N)CCCCC3)n21 ZINC000594981330 347248767 /nfs/dbraw/zinc/24/87/67/347248767.db2.gz NGAHYHVONMKMRM-UHFFFAOYSA-N 1 1 282.391 3.206 20 30 CGEDMO Cc1cc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)nc(C)n1 ZINC000595297365 347288149 /nfs/dbraw/zinc/28/81/49/347288149.db2.gz SDHWKAMAKHANPL-UHFFFAOYSA-N 1 1 292.386 3.130 20 30 CGEDMO Cc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)nc(C)n1 ZINC000595297365 347288151 /nfs/dbraw/zinc/28/81/51/347288151.db2.gz SDHWKAMAKHANPL-UHFFFAOYSA-N 1 1 292.386 3.130 20 30 CGEDMO CO[C@H](C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1)C1CCC1 ZINC000595408836 347299227 /nfs/dbraw/zinc/29/92/27/347299227.db2.gz TZZFVAZWMKWJND-LJQANCHMSA-N 1 1 296.414 3.462 20 30 CGEDMO C[C@@H]([NH2+][C@H]1CCCn2nccc21)c1ccc(C#N)cc1F ZINC000595031073 347263430 /nfs/dbraw/zinc/26/34/30/347263430.db2.gz DRAKLPOOBXSVMY-ABAIWWIYSA-N 1 1 284.338 3.080 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)cc1 ZINC000595418569 347300218 /nfs/dbraw/zinc/30/02/18/347300218.db2.gz CUMJTRKDVQWZOL-RBUKOAKNSA-N 1 1 298.430 3.239 20 30 CGEDMO CC(C)(C)[N@@H+]1CC[C@@H](N[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000595057213 347272369 /nfs/dbraw/zinc/27/23/69/347272369.db2.gz VGPXNYAIWGFCHT-AEFFLSMTSA-N 1 1 297.446 3.398 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](CCCOc2ccc(F)cc2)C1 ZINC000595610894 347326270 /nfs/dbraw/zinc/32/62/70/347326270.db2.gz COLFWMIOODBODI-CQSZACIVSA-N 1 1 276.355 3.220 20 30 CGEDMO CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000595609936 347326615 /nfs/dbraw/zinc/32/66/15/347326615.db2.gz QMJCGHFQPVUSIC-HOCLYGCPSA-N 1 1 299.418 3.202 20 30 CGEDMO CCc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000595609936 347326618 /nfs/dbraw/zinc/32/66/18/347326618.db2.gz QMJCGHFQPVUSIC-HOCLYGCPSA-N 1 1 299.418 3.202 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000595611955 347326684 /nfs/dbraw/zinc/32/66/84/347326684.db2.gz QAUPTRDWTULKLL-AWEZNQCLSA-N 1 1 281.359 3.467 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000595611955 347326688 /nfs/dbraw/zinc/32/66/88/347326688.db2.gz QAUPTRDWTULKLL-AWEZNQCLSA-N 1 1 281.359 3.467 20 30 CGEDMO COc1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)c(Cl)c1 ZINC000595620773 347328587 /nfs/dbraw/zinc/32/85/87/347328587.db2.gz QIIOGCHFSTZSDH-LBPRGKRZSA-N 1 1 278.783 3.474 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)c(Cl)c1 ZINC000595620773 347328590 /nfs/dbraw/zinc/32/85/90/347328590.db2.gz QIIOGCHFSTZSDH-LBPRGKRZSA-N 1 1 278.783 3.474 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595623104 347329115 /nfs/dbraw/zinc/32/91/15/347329115.db2.gz HMELHIHTPNOUAF-UONOGXRCSA-N 1 1 253.349 3.245 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595625758 347329774 /nfs/dbraw/zinc/32/97/74/347329774.db2.gz NOIXMMVCDMVCKT-INIZCTEOSA-N 1 1 264.413 3.207 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000595657719 347334278 /nfs/dbraw/zinc/33/42/78/347334278.db2.gz BBBHHRPIOHSBBF-CYBMUJFWSA-N 1 1 258.340 3.485 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC2(CCC2)OC[C@@H]1C ZINC000595680970 347336435 /nfs/dbraw/zinc/33/64/35/347336435.db2.gz JBZYACVHKJVHPZ-AWEZNQCLSA-N 1 1 270.376 3.010 20 30 CGEDMO CO[C@H](C[N@@H+]1Cc2cccc(C#N)c2C1)C1CCCCC1 ZINC000595561611 347319584 /nfs/dbraw/zinc/31/95/84/347319584.db2.gz OIEXPFTVBFNSEO-GOSISDBHSA-N 1 1 284.403 3.469 20 30 CGEDMO CO[C@H](C[N@H+]1Cc2cccc(C#N)c2C1)C1CCCCC1 ZINC000595561611 347319586 /nfs/dbraw/zinc/31/95/86/347319586.db2.gz OIEXPFTVBFNSEO-GOSISDBHSA-N 1 1 284.403 3.469 20 30 CGEDMO N#Cc1cccc(C[NH+]2CCC(c3ccon3)CC2)c1F ZINC000595827705 347361425 /nfs/dbraw/zinc/36/14/25/347361425.db2.gz FRJBWFPNSBWIAZ-UHFFFAOYSA-N 1 1 285.322 3.065 20 30 CGEDMO CC(C)(C)C[N@@H+](CCCCC#N)CC(=O)OC(C)(C)C ZINC000595826598 347361621 /nfs/dbraw/zinc/36/16/21/347361621.db2.gz DCDYHDXDFVCKRR-UHFFFAOYSA-N 1 1 282.428 3.370 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595839183 347364530 /nfs/dbraw/zinc/36/45/30/347364530.db2.gz ZTLPNZAXEJPBBD-KRWDZBQOSA-N 1 1 267.376 3.223 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595839183 347364533 /nfs/dbraw/zinc/36/45/33/347364533.db2.gz ZTLPNZAXEJPBBD-KRWDZBQOSA-N 1 1 267.376 3.223 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000595841648 347365157 /nfs/dbraw/zinc/36/51/57/347365157.db2.gz NMGYRSCWFLOWLC-RDJZCZTQSA-N 1 1 254.377 3.342 20 30 CGEDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC000595856798 347368204 /nfs/dbraw/zinc/36/82/04/347368204.db2.gz FKCHZUWHRZCEOJ-PHTAMDTFSA-N 1 1 258.340 3.460 20 30 CGEDMO C[C@H]1C[N@@H+](CCCC(C)(C)C#N)C[C@@](C)(C(F)F)O1 ZINC000595913206 347372487 /nfs/dbraw/zinc/37/24/87/347372487.db2.gz CVSSSVHUCNMRET-FZMZJTMJSA-N 1 1 274.355 3.061 20 30 CGEDMO Cc1ccc(C#N)nc1NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000596074572 347379925 /nfs/dbraw/zinc/37/99/25/347379925.db2.gz CDNHMDLUAIEBQD-AWEZNQCLSA-N 1 1 286.423 3.186 20 30 CGEDMO Cc1ccnc(N[C@H]2CC[N@H+](C3CCCCC3)C2)c1C#N ZINC000596480987 347465419 /nfs/dbraw/zinc/46/54/19/347465419.db2.gz VXSSRJUXDLKPRH-AWEZNQCLSA-N 1 1 284.407 3.081 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](C/C=C\c2ccc(F)cc2)C1 ZINC000597176955 347545105 /nfs/dbraw/zinc/54/51/05/347545105.db2.gz KAYVWYXHRBCXPK-PEXHTFQZSA-N 1 1 258.340 3.465 20 30 CGEDMO C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)CCN1C ZINC000597012195 347527149 /nfs/dbraw/zinc/52/71/49/347527149.db2.gz PDYUSLLFXOMUFO-QAPCUYQASA-N 1 1 297.446 3.156 20 30 CGEDMO C[C@@H]1C[C@@H](N(C)Cc2ccc(C3(C#N)CC3)cc2)CC[N@@H+]1C ZINC000597012195 347527168 /nfs/dbraw/zinc/52/71/68/347527168.db2.gz PDYUSLLFXOMUFO-QAPCUYQASA-N 1 1 297.446 3.156 20 30 CGEDMO C[C@@H]1C[C@@H](N(C)Cc2ccc(C3(C#N)CC3)cc2)CC[N@H+]1C ZINC000597012195 347527173 /nfs/dbraw/zinc/52/71/73/347527173.db2.gz PDYUSLLFXOMUFO-QAPCUYQASA-N 1 1 297.446 3.156 20 30 CGEDMO CC[N@H+]1C[C@H](C)N(Cc2ccc(C3(C#N)CC3)cc2)C[C@H]1C ZINC000597012962 347527701 /nfs/dbraw/zinc/52/77/01/347527701.db2.gz GDQYZOOWYSFSCV-CVEARBPZSA-N 1 1 297.446 3.156 20 30 CGEDMO CCN1C[C@H](C)[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@H]1C ZINC000597012962 347527705 /nfs/dbraw/zinc/52/77/05/347527705.db2.gz GDQYZOOWYSFSCV-CVEARBPZSA-N 1 1 297.446 3.156 20 30 CGEDMO CCN1C[C@H](C)[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@H]1C ZINC000597012962 347527709 /nfs/dbraw/zinc/52/77/09/347527709.db2.gz GDQYZOOWYSFSCV-CVEARBPZSA-N 1 1 297.446 3.156 20 30 CGEDMO CO[C@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CC[C@@H]1C ZINC000597110713 347535330 /nfs/dbraw/zinc/53/53/30/347535330.db2.gz KIYUHUVBXLOLDD-YOEHRIQHSA-N 1 1 284.403 3.099 20 30 CGEDMO CCCOc1ccc(C[NH2+]CC2(C#N)CC2)c(C)c1 ZINC000597121509 347537293 /nfs/dbraw/zinc/53/72/93/347537293.db2.gz QRCCUTUQIRYEDC-UHFFFAOYSA-N 1 1 258.365 3.177 20 30 CGEDMO N#CC1(c2ccc(C[N@@H+]3CC[C@H](O)CC34CCC4)cc2)CC1 ZINC000597152482 347540665 /nfs/dbraw/zinc/54/06/65/347540665.db2.gz BMQKCNVAEFGVIT-KRWDZBQOSA-N 1 1 296.414 3.121 20 30 CGEDMO CCCCOc1ccccc1C[NH+]1CC(CC#N)C1 ZINC000597202894 347553408 /nfs/dbraw/zinc/55/34/08/347553408.db2.gz DWVIQAWDQQNLPG-UHFFFAOYSA-N 1 1 258.365 3.211 20 30 CGEDMO Cc1cc(C[N@@H+]2CC[C@](C)(C#N)C2)cc2cccnc12 ZINC000597232437 347559884 /nfs/dbraw/zinc/55/98/84/347559884.db2.gz UIPCGGJRWQYKNU-QGZVFWFLSA-N 1 1 265.360 3.279 20 30 CGEDMO Cc1cc(C[N@H+]2CC[C@](C)(C#N)C2)cc2cccnc12 ZINC000597232437 347559887 /nfs/dbraw/zinc/55/98/87/347559887.db2.gz UIPCGGJRWQYKNU-QGZVFWFLSA-N 1 1 265.360 3.279 20 30 CGEDMO C[C@@H]1C[N@H+](CC(C)(C)CCC#N)C[C@@H](CC(F)(F)F)O1 ZINC000597243407 347562237 /nfs/dbraw/zinc/56/22/37/347562237.db2.gz OOIIRDJSDRPSAB-VXGBXAGGSA-N 1 1 292.345 3.358 20 30 CGEDMO C[C@@H]1C[N@@H+](CC(C)(C)CCC#N)C[C@@H](CC(F)(F)F)O1 ZINC000597243407 347562240 /nfs/dbraw/zinc/56/22/40/347562240.db2.gz OOIIRDJSDRPSAB-VXGBXAGGSA-N 1 1 292.345 3.358 20 30 CGEDMO CCC[N@@H+](Cc1cnn(CC)c1)Cc1ccc(C#N)cc1 ZINC000119252197 370658560 /nfs/dbraw/zinc/65/85/60/370658560.db2.gz FKVBJUWMBNWAGE-UHFFFAOYSA-N 1 1 282.391 3.187 20 30 CGEDMO CC(C)[N@H+](Cc1cccs1)C[C@@H](O)CC(C)(C)C#N ZINC000598586942 347666605 /nfs/dbraw/zinc/66/66/05/347666605.db2.gz KQTYXXQYWBLWIY-ZDUSSCGKSA-N 1 1 280.437 3.259 20 30 CGEDMO CC[N@H+](Cc1ccc(Cl)cc1)C[C@H](O)CC(C)(C)C#N ZINC000598586294 347666635 /nfs/dbraw/zinc/66/66/35/347666635.db2.gz DUFBYHSCXIMDFM-OAHLLOKOSA-N 1 1 294.826 3.463 20 30 CGEDMO CC(C)[N@H+](Cc1cccc(F)c1)C[C@H](O)CC(C)(C)C#N ZINC000598587362 347666698 /nfs/dbraw/zinc/66/66/98/347666698.db2.gz RFIGFVZMZIYHBF-MRXNPFEDSA-N 1 1 292.398 3.337 20 30 CGEDMO C[C@@H](c1cccs1)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598586426 347666748 /nfs/dbraw/zinc/66/67/48/347666748.db2.gz UPXGEFMIPUWWMH-RYUDHWBXSA-N 1 1 266.410 3.042 20 30 CGEDMO CC[N@H+](Cc1ccc(C)cc1)C[C@H](O)CC(C)(C)C#N ZINC000598586005 347666849 /nfs/dbraw/zinc/66/68/49/347666849.db2.gz BWWQZLSODROGLW-MRXNPFEDSA-N 1 1 274.408 3.118 20 30 CGEDMO CCC1CCC([N@@H+](C)C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598591427 347667670 /nfs/dbraw/zinc/66/76/70/347667670.db2.gz AXHHQZZXRFSCEQ-NRXISQOPSA-N 1 1 266.429 3.188 20 30 CGEDMO CC[C@@H]1c2ccccc2CC[N@@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598593255 347668307 /nfs/dbraw/zinc/66/83/07/347668307.db2.gz RJRAGHPEBVKUFU-NVXWUHKLSA-N 1 1 286.419 3.297 20 30 CGEDMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598597974 347669078 /nfs/dbraw/zinc/66/90/78/347669078.db2.gz LBDSHIYANUEAET-RRFJBIMHSA-N 1 1 266.429 3.188 20 30 CGEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCCC2(CC2)CC1 ZINC000599673051 347763528 /nfs/dbraw/zinc/76/35/28/347763528.db2.gz LRIXMPSQTXGEGB-INIZCTEOSA-N 1 1 298.386 3.038 20 30 CGEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCCC2(CC2)CC1 ZINC000599673051 347763533 /nfs/dbraw/zinc/76/35/33/347763533.db2.gz LRIXMPSQTXGEGB-INIZCTEOSA-N 1 1 298.386 3.038 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCc3c(CC#N)cccc3C2)nc1 ZINC000599678619 347764840 /nfs/dbraw/zinc/76/48/40/347764840.db2.gz XAIFZOUFTOSBSB-UHFFFAOYSA-N 1 1 277.371 3.014 20 30 CGEDMO Cc1ccc(C[N@H+]2CCc3c(CC#N)cccc3C2)nc1 ZINC000599678619 347764843 /nfs/dbraw/zinc/76/48/43/347764843.db2.gz XAIFZOUFTOSBSB-UHFFFAOYSA-N 1 1 277.371 3.014 20 30 CGEDMO COC[C@@H](C)[N@@H+](CCCC#N)[C@@H]1CCc2ccccc21 ZINC000599683570 347766329 /nfs/dbraw/zinc/76/63/29/347766329.db2.gz RGSUBACYBSXJCU-RHSMWYFYSA-N 1 1 272.392 3.315 20 30 CGEDMO C/C=C\C[C@@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000599689315 347766627 /nfs/dbraw/zinc/76/66/27/347766627.db2.gz IUZOUFMPEUGIEL-ZZKXABKFSA-N 1 1 261.394 3.193 20 30 CGEDMO C/C=C\C[C@@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000599689315 347766628 /nfs/dbraw/zinc/76/66/28/347766628.db2.gz IUZOUFMPEUGIEL-ZZKXABKFSA-N 1 1 261.394 3.193 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCCCC[C@H]2C[C@@H](C)O)cc1C#N ZINC000599416702 347742916 /nfs/dbraw/zinc/74/29/16/347742916.db2.gz WUQWBXFXZCUARI-QAPCUYQASA-N 1 1 286.419 3.382 20 30 CGEDMO Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1C#N ZINC000599431380 347743951 /nfs/dbraw/zinc/74/39/51/347743951.db2.gz GRDXFAVYQTZFTJ-QRVBRYPASA-N 1 1 298.430 3.382 20 30 CGEDMO Cc1ccc(Cn2c[nH+]c3c2C[C@H](C)[C@@H](C)C3)cc1C#N ZINC000599431906 347744872 /nfs/dbraw/zinc/74/48/72/347744872.db2.gz SVIISEDCHUQLIW-KBPBESRZSA-N 1 1 279.387 3.482 20 30 CGEDMO CC(C)C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000599470021 347747463 /nfs/dbraw/zinc/74/74/63/347747463.db2.gz OOGVFYDPJZLMKQ-LSDHHAIUSA-N 1 1 294.439 3.368 20 30 CGEDMO CC(C)C[C@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000599470021 347747464 /nfs/dbraw/zinc/74/74/64/347747464.db2.gz OOGVFYDPJZLMKQ-LSDHHAIUSA-N 1 1 294.439 3.368 20 30 CGEDMO CC(C)C[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000599470020 347747545 /nfs/dbraw/zinc/74/75/45/347747545.db2.gz OOGVFYDPJZLMKQ-HUUCEWRRSA-N 1 1 294.439 3.368 20 30 CGEDMO CC(C)C[C@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@H](CC#N)C1 ZINC000599470020 347747547 /nfs/dbraw/zinc/74/75/47/347747547.db2.gz OOGVFYDPJZLMKQ-HUUCEWRRSA-N 1 1 294.439 3.368 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000599529890 347751450 /nfs/dbraw/zinc/75/14/50/347751450.db2.gz ROMZJKOYUJGFLM-LLVKDONJSA-N 1 1 264.300 3.132 20 30 CGEDMO CC1(C)CCC(C)(C)[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000599538272 347752600 /nfs/dbraw/zinc/75/26/00/347752600.db2.gz MDSGNNDQMSCKJN-UHFFFAOYSA-N 1 1 257.381 3.354 20 30 CGEDMO C=CCC1([NH2+]CC(=O)OC(C)(C)C)CCCCC1 ZINC000599609517 347758119 /nfs/dbraw/zinc/75/81/19/347758119.db2.gz JITGRWVFWPBGPN-UHFFFAOYSA-N 1 1 253.386 3.197 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000599641628 347761412 /nfs/dbraw/zinc/76/14/12/347761412.db2.gz JRBBUJUDCMYKGC-HNNXBMFYSA-N 1 1 290.382 3.048 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCO[C@@H](CCF)C1 ZINC000599641628 347761414 /nfs/dbraw/zinc/76/14/14/347761414.db2.gz JRBBUJUDCMYKGC-HNNXBMFYSA-N 1 1 290.382 3.048 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](c3ccc(O)cc3)C2)c(F)c1 ZINC000600213404 347793926 /nfs/dbraw/zinc/79/39/26/347793926.db2.gz DPUZKDAXWSMVLD-HNNXBMFYSA-N 1 1 296.345 3.392 20 30 CGEDMO Cc1cc([NH+]2CCCC2)ccc1NC[C@H](O)CC1(C#N)CC1 ZINC000600739164 347831448 /nfs/dbraw/zinc/83/14/48/347831448.db2.gz NBQGHAOHGNAGHG-MRXNPFEDSA-N 1 1 299.418 3.062 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000600185836 347791031 /nfs/dbraw/zinc/79/10/31/347791031.db2.gz NNMMPBDDYGHTQY-ZDUSSCGKSA-N 1 1 260.337 3.301 20 30 CGEDMO N#Cc1cccc(-c2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000600778209 347833595 /nfs/dbraw/zinc/83/35/95/347833595.db2.gz VMSFNGXCSFLAQY-UHFFFAOYSA-N 1 1 278.355 3.057 20 30 CGEDMO C[N@H+]1CC[C@H](CSc2ccc(Cl)cc2C#N)C1 ZINC000601913123 347922964 /nfs/dbraw/zinc/92/29/64/347922964.db2.gz PPAQQFOTEHRQCV-JTQLQIEISA-N 1 1 266.797 3.255 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000602438503 347958163 /nfs/dbraw/zinc/95/81/63/347958163.db2.gz DTQMHKPMFUGHTD-ZDUSSCGKSA-N 1 1 287.363 3.499 20 30 CGEDMO CC[N@@H+](Cc1cccc(C#N)n1)[C@H](C)c1cccc(O)c1 ZINC000602447179 347960371 /nfs/dbraw/zinc/96/03/71/347960371.db2.gz LNGAHVGIRPDQHM-CYBMUJFWSA-N 1 1 281.359 3.242 20 30 CGEDMO N#Cc1cccc(C[N@@H+](CC2CC2)C2CCCCC2)n1 ZINC000602458503 347960771 /nfs/dbraw/zinc/96/07/71/347960771.db2.gz MVGFYHVXWSLTAY-UHFFFAOYSA-N 1 1 269.392 3.498 20 30 CGEDMO CC(C)(C)C[C@H]1CCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602454707 347961075 /nfs/dbraw/zinc/96/10/75/347961075.db2.gz RUUIQNUVTHSDSM-OAHLLOKOSA-N 1 1 257.381 3.354 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1CC1(CC#N)CC1 ZINC000602780293 348027552 /nfs/dbraw/zinc/02/75/52/348027552.db2.gz GJCSQCVWNOVOHI-QGZVFWFLSA-N 1 1 297.446 3.277 20 30 CGEDMO C[C@@H]1CCN(Cc2ccccc2)CC[N@@H+]1CC1(CC#N)CC1 ZINC000602780293 348027557 /nfs/dbraw/zinc/02/75/57/348027557.db2.gz GJCSQCVWNOVOHI-QGZVFWFLSA-N 1 1 297.446 3.277 20 30 CGEDMO C[C@@H]1CCN(Cc2ccccc2)CC[N@H+]1CC1(CC#N)CC1 ZINC000602780293 348027560 /nfs/dbraw/zinc/02/75/60/348027560.db2.gz GJCSQCVWNOVOHI-QGZVFWFLSA-N 1 1 297.446 3.277 20 30 CGEDMO N#CCC[C@H]([NH2+]Cc1ccns1)c1ccccc1 ZINC000602581252 347987845 /nfs/dbraw/zinc/98/78/45/347987845.db2.gz JASPRHVIIQJAGU-AWEZNQCLSA-N 1 1 257.362 3.278 20 30 CGEDMO N#Cc1cccc(C[NH2+][C@H]2CCCOc3c(F)cccc32)n1 ZINC000602589289 347989443 /nfs/dbraw/zinc/98/94/43/347989443.db2.gz SSQJXEXDHPIOBN-INIZCTEOSA-N 1 1 297.333 3.096 20 30 CGEDMO C[C@H](C[N@H+](C)C[C@@H](C)CCC#N)c1nccs1 ZINC000602606108 347991800 /nfs/dbraw/zinc/99/18/00/347991800.db2.gz ACJYJINAEUZSNX-NWDGAFQWSA-N 1 1 251.399 3.118 20 30 CGEDMO C[C@H]1c2ccc(F)cc2CC[N@@H+]1CC1(CC#N)CC1 ZINC000602781598 348028577 /nfs/dbraw/zinc/02/85/77/348028577.db2.gz UFDNSXOYRHTSPM-LBPRGKRZSA-N 1 1 258.340 3.439 20 30 CGEDMO N#CC1CCC([NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000602649947 348000612 /nfs/dbraw/zinc/00/06/12/348000612.db2.gz QVHOQHHGJFPCBR-AVAKVYKDSA-N 1 1 297.446 3.180 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000602673166 348006000 /nfs/dbraw/zinc/00/60/00/348006000.db2.gz OXSQQMACLCPEOK-GJZGRUSLSA-N 1 1 289.398 3.276 20 30 CGEDMO CC[N@@H+](C[C@@H](C)CCC#N)[C@H]1CCOC(C)(C)C1 ZINC000602671760 348006038 /nfs/dbraw/zinc/00/60/38/348006038.db2.gz WCWMOLIDUUYORJ-KBPBESRZSA-N 1 1 252.402 3.206 20 30 CGEDMO CCS[C@H]1CC[C@H]([N@@H+](C)CC2(CC#N)CC2)C1 ZINC000602788518 348029136 /nfs/dbraw/zinc/02/91/36/348029136.db2.gz ZVTKQPCAAOKTCD-STQMWFEESA-N 1 1 252.427 3.286 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000602702042 348012656 /nfs/dbraw/zinc/01/26/56/348012656.db2.gz NAGRDCQJQKZGCN-ILXRZTDVSA-N 1 1 294.439 3.226 20 30 CGEDMO CC(C)CCO[C@@H]1CC[N@@H+](C[C@H](C)CCC#N)C1 ZINC000602714360 348015526 /nfs/dbraw/zinc/01/55/26/348015526.db2.gz HOCKQIRKTCOTJV-HUUCEWRRSA-N 1 1 252.402 3.063 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000602719167 348016548 /nfs/dbraw/zinc/01/65/48/348016548.db2.gz UMOAFWKDXNFYDJ-GOEBONIOSA-N 1 1 258.365 3.080 20 30 CGEDMO C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1CN2CCC1CC2 ZINC000602746452 348022992 /nfs/dbraw/zinc/02/29/92/348022992.db2.gz DSEHOMXBTIOFAH-GOSISDBHSA-N 1 1 297.446 3.014 20 30 CGEDMO CN(Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1C[NH+]2CCC1CC2 ZINC000602746452 348022996 /nfs/dbraw/zinc/02/29/96/348022996.db2.gz DSEHOMXBTIOFAH-GOSISDBHSA-N 1 1 297.446 3.014 20 30 CGEDMO C[N@@H+](Cc1ccccc1N1CCCC1)CC1(CC#N)CC1 ZINC000602760057 348024692 /nfs/dbraw/zinc/02/46/92/348024692.db2.gz VPSRGMABSUMAKU-UHFFFAOYSA-N 1 1 283.419 3.412 20 30 CGEDMO C[C@H]1CO[C@H](c2ccccc2)C[N@@H+]1CC1(CC#N)CC1 ZINC000602772808 348026655 /nfs/dbraw/zinc/02/66/55/348026655.db2.gz KPTNYFMWZXJDTJ-HOCLYGCPSA-N 1 1 270.376 3.142 20 30 CGEDMO C[C@H]1CO[C@H](c2ccccc2)C[N@H+]1CC1(CC#N)CC1 ZINC000602772808 348026656 /nfs/dbraw/zinc/02/66/56/348026656.db2.gz KPTNYFMWZXJDTJ-HOCLYGCPSA-N 1 1 270.376 3.142 20 30 CGEDMO N#CCC1(C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)CC1 ZINC000602780165 348027005 /nfs/dbraw/zinc/02/70/05/348027005.db2.gz PHMPAPSGQLJPFL-HNNXBMFYSA-N 1 1 272.367 3.384 20 30 CGEDMO C[C@@H]1C[N@H+](CC2CCC(C)(C)CC2)C[C@H](C)N1CC#N ZINC000602853678 348037138 /nfs/dbraw/zinc/03/71/38/348037138.db2.gz KXQBNDXSXVRGCG-GASCZTMLSA-N 1 1 277.456 3.121 20 30 CGEDMO CCOc1ccc(OCC[N@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000602974894 348048504 /nfs/dbraw/zinc/04/85/04/348048504.db2.gz VPEUCMBLKCFACV-RHSMWYFYSA-N 1 1 288.391 3.088 20 30 CGEDMO CCOc1ccc(OCC[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000602974894 348048506 /nfs/dbraw/zinc/04/85/06/348048506.db2.gz VPEUCMBLKCFACV-RHSMWYFYSA-N 1 1 288.391 3.088 20 30 CGEDMO COc1ccccc1CCC[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602980402 348050427 /nfs/dbraw/zinc/05/04/27/348050427.db2.gz PUHQLUNODFLSNX-HOTGVXAUSA-N 1 1 272.392 3.252 20 30 CGEDMO CO[C@H](C[N@@H+](C)[C@H]1CCC[C@H]1C#N)C1CCCCC1 ZINC000602981271 348051252 /nfs/dbraw/zinc/05/12/52/348051252.db2.gz AKNLSYWZFGFWSQ-HRCADAONSA-N 1 1 264.413 3.206 20 30 CGEDMO CC[N@@H+](CCC(F)(F)F)Cc1ccc(C#N)cc1 ZINC000604525187 348123582 /nfs/dbraw/zinc/12/35/82/348123582.db2.gz YMAVOWBCIMBXNV-UHFFFAOYSA-N 1 1 256.271 3.333 20 30 CGEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1c1ccc(C)cc1 ZINC000606452003 348185304 /nfs/dbraw/zinc/18/53/04/348185304.db2.gz BGRCOZFSQQDPQF-MAUKXSAKSA-N 1 1 286.419 3.070 20 30 CGEDMO C[C@H]([N@@H+](C)CCCOc1cccc(C#N)c1)C1(C)CC1 ZINC000357272336 232923259 /nfs/dbraw/zinc/92/32/59/232923259.db2.gz LINQQAVWDRUXKY-AWEZNQCLSA-N 1 1 272.392 3.448 20 30 CGEDMO C[C@@H](CC#N)[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000609030735 348335058 /nfs/dbraw/zinc/33/50/58/348335058.db2.gz AXVWVZLOVXGYRU-JTQLQIEISA-N 1 1 272.270 3.019 20 30 CGEDMO COCC[N@@H+](CCCC(C)(C)C#N)C1CCCC1 ZINC000610447570 348383282 /nfs/dbraw/zinc/38/32/82/348383282.db2.gz DHWPDMDRJFGSAM-UHFFFAOYSA-N 1 1 252.402 3.207 20 30 CGEDMO C[N@H+](Cc1cc2ccccc2o1)Cc1ccnc(C#N)c1 ZINC000610993771 348416346 /nfs/dbraw/zinc/41/63/46/348416346.db2.gz ICZNXFYUMJALBL-UHFFFAOYSA-N 1 1 277.327 3.331 20 30 CGEDMO C[N@@H+](Cc1cc2ccccc2o1)Cc1ccnc(C#N)c1 ZINC000610993771 348416349 /nfs/dbraw/zinc/41/63/49/348416349.db2.gz ICZNXFYUMJALBL-UHFFFAOYSA-N 1 1 277.327 3.331 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)CCCOC(C)(C)C ZINC000610681985 348395934 /nfs/dbraw/zinc/39/59/34/348395934.db2.gz FCOODHOKMSCYLO-UHFFFAOYSA-N 1 1 254.418 3.453 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2cnc(C3CC3)s2)c(F)c1 ZINC000610770674 348402788 /nfs/dbraw/zinc/40/27/88/348402788.db2.gz YUSDUOXIYHXFHS-UHFFFAOYSA-N 1 1 287.363 3.321 20 30 CGEDMO CC[N@H+](CCC(F)(F)F)Cc1ccc(C#N)cc1OC ZINC000611235430 348429122 /nfs/dbraw/zinc/42/91/22/348429122.db2.gz SHJRPHYYEGCGBE-UHFFFAOYSA-N 1 1 286.297 3.341 20 30 CGEDMO CC[N@@H+](CCC(F)(F)F)Cc1ccc(C#N)cc1OC ZINC000611235430 348429125 /nfs/dbraw/zinc/42/91/25/348429125.db2.gz SHJRPHYYEGCGBE-UHFFFAOYSA-N 1 1 286.297 3.341 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)cc1 ZINC000611350558 348440787 /nfs/dbraw/zinc/44/07/87/348440787.db2.gz QNTZYOZLFHCSMO-MSOLQXFVSA-N 1 1 284.403 3.197 20 30 CGEDMO C[C@H](CN[C@@H]1CCCc2cc(C#N)ccc21)C[NH+]1CCCC1 ZINC000611391134 348444617 /nfs/dbraw/zinc/44/46/17/348444617.db2.gz UUKZGRUPNLKLIE-DNVCBOLYSA-N 1 1 297.446 3.257 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1nccs1 ZINC000611391051 348444707 /nfs/dbraw/zinc/44/47/07/348444707.db2.gz NYMVHSCQLDLWIM-AWEZNQCLSA-N 1 1 269.373 3.182 20 30 CGEDMO C[NH+](C)C1(CN[C@H]2CCCc3cc(C#N)ccc32)CCCC1 ZINC000611390296 348444775 /nfs/dbraw/zinc/44/47/75/348444775.db2.gz PJXGUWHSUSBIRC-SFHVURJKSA-N 1 1 297.446 3.400 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCCSCC2)cc1OC ZINC000273402410 192139049 /nfs/dbraw/zinc/13/90/49/192139049.db2.gz MOSNYRLQPAWOTQ-UHFFFAOYSA-N 1 1 293.432 3.199 20 30 CGEDMO CC(C)[N@@H+]1CCCC[C@@H]1CN[C@H](C)c1cccc(C#N)c1 ZINC000611438826 348452321 /nfs/dbraw/zinc/45/23/21/348452321.db2.gz BIZFKLZJLBEENM-CRAIPNDOSA-N 1 1 285.435 3.472 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@@H]1CN[C@H](C)c1cccc(C#N)c1 ZINC000611438826 348452325 /nfs/dbraw/zinc/45/23/25/348452325.db2.gz BIZFKLZJLBEENM-CRAIPNDOSA-N 1 1 285.435 3.472 20 30 CGEDMO COc1ccc(C[NH2+]CC(C)(C)C#N)cc1OCC(C)C ZINC000612584864 348530519 /nfs/dbraw/zinc/53/05/19/348530519.db2.gz FIGSYNFUADOULK-UHFFFAOYSA-N 1 1 290.407 3.369 20 30 CGEDMO N#C[C@H]1CCC[C@H]([NH2+]Cc2c(F)c(F)cc(F)c2F)C1 ZINC000613255584 348581309 /nfs/dbraw/zinc/58/13/09/348581309.db2.gz YKZHNRXIKNOJMA-IUCAKERBSA-N 1 1 286.272 3.415 20 30 CGEDMO CC[N@H+]1CCC[C@@H]1CNc1nc(C(C)(C)C)ccc1C#N ZINC000613409401 348598441 /nfs/dbraw/zinc/59/84/41/348598441.db2.gz ZKJNLZYQXKBKKB-CQSZACIVSA-N 1 1 286.423 3.147 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)cc1 ZINC000614171568 348654551 /nfs/dbraw/zinc/65/45/51/348654551.db2.gz RGCJLSICAOMEBU-WMZOPIPTSA-N 1 1 298.430 3.489 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCOC3(CCC3)C2)cc1 ZINC000614176823 348655366 /nfs/dbraw/zinc/65/53/66/348655366.db2.gz LXRNFPQQMFODAG-UHFFFAOYSA-N 1 1 284.403 3.243 20 30 CGEDMO C=CC[C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC000617777930 349008731 /nfs/dbraw/zinc/00/87/31/349008731.db2.gz ZYYZNWABZXPQMH-GJZGRUSLSA-N 1 1 289.423 3.211 20 30 CGEDMO COC(=O)c1coc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)c1 ZINC000618569890 349107740 /nfs/dbraw/zinc/10/77/40/349107740.db2.gz DZKNVIGBKHVBQS-NWDGAFQWSA-N 1 1 298.342 3.350 20 30 CGEDMO Cc1nc(N[C@H]2CCc3cc(C#N)ccc32)c(C)c(C)[nH+]1 ZINC000618694572 349145418 /nfs/dbraw/zinc/14/54/18/349145418.db2.gz UHJCJRSBABWOPV-INIZCTEOSA-N 1 1 278.359 3.373 20 30 CGEDMO CC[N@@H+](Cc1ccc2cnccc2c1)C[C@@H](C)C#N ZINC000618809457 349157708 /nfs/dbraw/zinc/15/77/08/349157708.db2.gz RDYJHCUWVWQDDL-ZDUSSCGKSA-N 1 1 253.349 3.216 20 30 CGEDMO CC[N@H+](Cc1ccc2cnccc2c1)C[C@@H](C)C#N ZINC000618809457 349157711 /nfs/dbraw/zinc/15/77/11/349157711.db2.gz RDYJHCUWVWQDDL-ZDUSSCGKSA-N 1 1 253.349 3.216 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@](C)(O)CC2)cc1 ZINC000619298504 349227304 /nfs/dbraw/zinc/22/73/04/349227304.db2.gz PPNGMKNXAOACMI-SFHVURJKSA-N 1 1 286.419 3.225 20 30 CGEDMO CO[C@]1(C)CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000619283991 349227369 /nfs/dbraw/zinc/22/73/69/349227369.db2.gz VBYBOJJUMAKPTE-GOSISDBHSA-N 1 1 286.419 3.489 20 30 CGEDMO C=CC[N@@H+](C[C@@H](OC)c1ccc(F)cc1)[C@H](C)COC ZINC000625530136 350181338 /nfs/dbraw/zinc/18/13/38/350181338.db2.gz IXBQUWDODBVLFY-CZUORRHYSA-N 1 1 281.371 3.036 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(OC(C)C)ccn2)C1 ZINC000625704111 350200533 /nfs/dbraw/zinc/20/05/33/350200533.db2.gz VQNPTTBVBZDNJR-CQSZACIVSA-N 1 1 260.381 3.267 20 30 CGEDMO C=CC[C@H]1CC[N@H+](C[C@@H]2CCCCN2C(C)C)C1 ZINC000625701885 350199258 /nfs/dbraw/zinc/19/92/58/350199258.db2.gz LYCUTKSZKPQBTH-HOTGVXAUSA-N 1 1 250.430 3.147 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CC(=O)Nc2cccc(Cl)c2C)C1 ZINC000625703986 350200804 /nfs/dbraw/zinc/20/08/04/350200804.db2.gz QLCSTDXNPOSHOD-ZDUSSCGKSA-N 1 1 292.810 3.485 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2cccc(OC)c2)C1 ZINC000628405319 350528541 /nfs/dbraw/zinc/52/85/41/350528541.db2.gz JDOCNEUARBOWNE-CQSZACIVSA-N 1 1 297.402 3.483 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cnc3ccc(Cl)cn23)C1 ZINC000628405494 350528748 /nfs/dbraw/zinc/52/87/48/350528748.db2.gz NOIMCDNKGWKJAK-GFCCVEGCSA-N 1 1 275.783 3.386 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000630806965 350890806 /nfs/dbraw/zinc/89/08/06/350890806.db2.gz CKFPJWHOYPHCKO-WBVHZDCISA-N 1 1 298.430 3.294 20 30 CGEDMO C=C(Cl)CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000271435563 191137568 /nfs/dbraw/zinc/13/75/68/191137568.db2.gz COXXMSDZRHYFDQ-CJNGLKHVSA-N 1 1 278.827 3.239 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@@H](C)CCSC ZINC000123075778 187069943 /nfs/dbraw/zinc/06/99/43/187069943.db2.gz ZOGAMRHRJFLILD-LBPRGKRZSA-N 1 1 278.421 3.140 20 30 CGEDMO N#Cc1c(C[N@H+]2CCC3(CCC3)C2)cn2ccccc12 ZINC000123284510 187082409 /nfs/dbraw/zinc/08/24/09/187082409.db2.gz LCMDBHNTSJJVBW-UHFFFAOYSA-N 1 1 265.360 3.187 20 30 CGEDMO C=CC[N@H+](C[C@H](O)c1cccc(Cl)c1)C1CC1 ZINC000271457182 191148738 /nfs/dbraw/zinc/14/87/38/191148738.db2.gz PDKSFLWOFMJRQK-AWEZNQCLSA-N 1 1 251.757 3.024 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@@H]2c2ccncc2)cc1C#N ZINC000153936627 188112141 /nfs/dbraw/zinc/11/21/41/188112141.db2.gz XUPBHBAXWVOAJC-QGZVFWFLSA-N 1 1 293.370 3.299 20 30 CGEDMO C[N@@H+](CCOc1ccc(F)cc1)CCC(C)(C)C#N ZINC000157471826 188320324 /nfs/dbraw/zinc/32/03/24/188320324.db2.gz PSNDMKIRJWJABA-UHFFFAOYSA-N 1 1 264.344 3.076 20 30 CGEDMO C#CC[C@H]([NH2+]Cc1ccc(C(=O)OCC)o1)c1ccccc1 ZINC000271739468 191300483 /nfs/dbraw/zinc/30/04/83/191300483.db2.gz UYIPHXRZPNAQPP-INIZCTEOSA-N 1 1 297.354 3.311 20 30 CGEDMO C[C@@H]1CC(C)(C)C[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000412021861 235106238 /nfs/dbraw/zinc/10/62/38/235106238.db2.gz NVANCJUGKMPVNF-LLVKDONJSA-N 1 1 291.420 3.069 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@@H]2CCOc3ccc(F)cc32)s1 ZINC000237712304 283147348 /nfs/dbraw/zinc/14/73/48/283147348.db2.gz AHSVZLWZMMNYEY-CQSZACIVSA-N 1 1 288.347 3.372 20 30 CGEDMO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1COc3ccc(F)cc31)CC2 ZINC000353648339 283197654 /nfs/dbraw/zinc/19/76/54/283197654.db2.gz YTVMQMDWUDGLCP-DLBZAZTESA-N 1 1 294.329 3.408 20 30 CGEDMO CC[C@H](C)[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000104686424 138350710 /nfs/dbraw/zinc/35/07/10/138350710.db2.gz NAXUWLODTMJWDV-NSHDSACASA-N 1 1 293.798 3.271 20 30 CGEDMO CCCO[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000108394229 138359966 /nfs/dbraw/zinc/35/99/66/138359966.db2.gz OTGTVTOUQUVPHR-INIZCTEOSA-N 1 1 290.382 3.478 20 30 CGEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CC=CCC1 ZINC000124395929 138375023 /nfs/dbraw/zinc/37/50/23/138375023.db2.gz CBOOWGFABLNMDK-KRWDZBQOSA-N 1 1 284.403 3.363 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000125364115 138382144 /nfs/dbraw/zinc/38/21/44/138382144.db2.gz GINRKDJWUGRBLX-KRWDZBQOSA-N 1 1 263.344 3.290 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCC[C@H]1c1ccncc1 ZINC000125364115 138382145 /nfs/dbraw/zinc/38/21/45/138382145.db2.gz GINRKDJWUGRBLX-KRWDZBQOSA-N 1 1 263.344 3.290 20 30 CGEDMO CC[C@H]([NH2+]Cc1nc(C#N)cs1)c1cccs1 ZINC000352820387 219661733 /nfs/dbraw/zinc/66/17/33/219661733.db2.gz CRKGQISRKLVTJG-JTQLQIEISA-N 1 1 263.391 3.317 20 30 CGEDMO N#Cc1cccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000179174821 189175120 /nfs/dbraw/zinc/17/51/20/189175120.db2.gz HBAKPBKQBASZQA-IEBWSBKVSA-N 1 1 295.430 3.007 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000179174821 189175125 /nfs/dbraw/zinc/17/51/25/189175125.db2.gz HBAKPBKQBASZQA-IEBWSBKVSA-N 1 1 295.430 3.007 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000179174821 189175126 /nfs/dbraw/zinc/17/51/26/189175126.db2.gz HBAKPBKQBASZQA-IEBWSBKVSA-N 1 1 295.430 3.007 20 30 CGEDMO C[C@]1(CCCO)CCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000439436599 238255879 /nfs/dbraw/zinc/25/58/79/238255879.db2.gz IMVJOHBRWNLKNP-MRXNPFEDSA-N 1 1 292.810 3.339 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000179653197 189210005 /nfs/dbraw/zinc/21/00/05/189210005.db2.gz LONXJBOCTITTBL-ZDUSSCGKSA-N 1 1 298.308 3.341 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000179653197 189210006 /nfs/dbraw/zinc/21/00/06/189210006.db2.gz LONXJBOCTITTBL-ZDUSSCGKSA-N 1 1 298.308 3.341 20 30 CGEDMO CCC[N@@H+](Cc1cc(C#N)n(C)c1)Cc1ccccc1 ZINC000191172282 542258919 /nfs/dbraw/zinc/25/89/19/542258919.db2.gz ATBWDMMYZNVHLX-UHFFFAOYSA-N 1 1 267.376 3.309 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)CCS1 ZINC000180245865 189246209 /nfs/dbraw/zinc/24/62/09/189246209.db2.gz RCWVPRPZSZCTDO-ZDUSSCGKSA-N 1 1 266.435 3.193 20 30 CGEDMO C[C@H]1CCC[N@@H+](CCNc2ccc(Cl)cc2C#N)C1 ZINC000301519526 201043927 /nfs/dbraw/zinc/04/39/27/201043927.db2.gz KVGMNCHYLGIJCD-LBPRGKRZSA-N 1 1 277.799 3.355 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCNc2ccc(C#N)c(Cl)c2)C1 ZINC000301522690 201045575 /nfs/dbraw/zinc/04/55/75/201045575.db2.gz LYJOBBRSXVAWBF-GFCCVEGCSA-N 1 1 277.799 3.355 20 30 CGEDMO Cc1ccccc1[C@@H]1C[N@H+](CCC(C)(C)C#N)CCO1 ZINC000119942333 370724530 /nfs/dbraw/zinc/72/45/30/370724530.db2.gz JYPNZHGGRPUCKZ-INIZCTEOSA-N 1 1 272.392 3.308 20 30 CGEDMO Cc1ccccc1[C@@H]1C[N@@H+](CCC(C)(C)C#N)CCO1 ZINC000119942333 370724533 /nfs/dbraw/zinc/72/45/33/370724533.db2.gz JYPNZHGGRPUCKZ-INIZCTEOSA-N 1 1 272.392 3.308 20 30 CGEDMO COc1ccccc1CC[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000119961763 370726113 /nfs/dbraw/zinc/72/61/13/370726113.db2.gz CYIHSSRPINUQCB-UHFFFAOYSA-N 1 1 298.361 3.380 20 30 CGEDMO CCC(CC)[N@@H+](CCOC)Cc1ccc(C#N)cc1OC ZINC000120827509 370804741 /nfs/dbraw/zinc/80/47/41/370804741.db2.gz FQCQFTYFJWAKKM-UHFFFAOYSA-N 1 1 290.407 3.204 20 30 CGEDMO CCCC[N@@H+](CCOC)Cc1ccc(Cl)cc1C#N ZINC000480776548 243165713 /nfs/dbraw/zinc/16/57/13/243165713.db2.gz CKMUCNCVBSQKSI-UHFFFAOYSA-N 1 1 280.799 3.460 20 30 CGEDMO C=C(CC)C[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000124780569 370927257 /nfs/dbraw/zinc/92/72/57/370927257.db2.gz QVHYERCIJDTTHD-XHSDSOJGSA-N 1 1 251.414 3.358 20 30 CGEDMO C=CCC[C@H](O)C[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000124779681 370927534 /nfs/dbraw/zinc/92/75/34/370927534.db2.gz LYFHVPJAPOUZGS-LSDHHAIUSA-N 1 1 288.416 3.149 20 30 CGEDMO C=CC[NH2+][C@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000125993015 370942820 /nfs/dbraw/zinc/94/28/20/370942820.db2.gz IQVLALTURSAGJT-KRWDZBQOSA-N 1 1 277.371 3.438 20 30 CGEDMO CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000030142574 368900928 /nfs/dbraw/zinc/90/09/28/368900928.db2.gz JZFBAMIJBODRPO-KBPBESRZSA-N 1 1 285.391 3.007 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000036678906 369024797 /nfs/dbraw/zinc/02/47/97/369024797.db2.gz UKGGELMKBNVMMQ-LBPRGKRZSA-N 1 1 256.271 3.487 20 30 CGEDMO COc1ccc([C@@H](C)[NH2+]CCC#N)cc1Br ZINC000035038080 368992588 /nfs/dbraw/zinc/99/25/88/368992588.db2.gz CNWJAMZOLSIRBR-SECBINFHSA-N 1 1 283.169 3.022 20 30 CGEDMO CC[N@H+](Cc1cccs1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000048970453 369378342 /nfs/dbraw/zinc/37/83/42/369378342.db2.gz JTVXUDHKUNFNEH-MRXNPFEDSA-N 1 1 286.400 3.175 20 30 CGEDMO C[C@@H]1[C@@H](C)CCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000050564763 369441864 /nfs/dbraw/zinc/44/18/64/369441864.db2.gz HGCOIQWQRPWZFN-UONOGXRCSA-N 1 1 258.365 3.057 20 30 CGEDMO Cc1c(C[N@@H+](C)Cc2cccc(C#N)c2)cccc1[N+](=O)[O-] ZINC000051400912 369448218 /nfs/dbraw/zinc/44/82/18/369448218.db2.gz JXDGONVGFUYUCA-UHFFFAOYSA-N 1 1 295.342 3.407 20 30 CGEDMO CCCOc1ncccc1C[NH2+]Cc1cccc(C#N)c1 ZINC000063579011 369647683 /nfs/dbraw/zinc/64/76/83/369647683.db2.gz JENSXGCATCVCRU-UHFFFAOYSA-N 1 1 281.359 3.032 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000276415656 193322307 /nfs/dbraw/zinc/32/23/07/193322307.db2.gz MCNHDLMGOZHMAI-NSHDSACASA-N 1 1 291.782 3.047 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000064480767 369653114 /nfs/dbraw/zinc/65/31/14/369653114.db2.gz TWYANCQFSSECEY-UHFFFAOYSA-N 1 1 292.810 3.064 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000276481384 193350521 /nfs/dbraw/zinc/35/05/21/193350521.db2.gz SSWZGWALWKQVKZ-UHFFFAOYSA-N 1 1 266.772 3.095 20 30 CGEDMO C[C@H](C1CC1)[N@@H+](CCC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000072561123 369825272 /nfs/dbraw/zinc/82/52/72/369825272.db2.gz HFZIYXXENRBIPG-CYBMUJFWSA-N 1 1 297.402 3.150 20 30 CGEDMO C[C@H]1C[N@@H+](CCCSCC#N)[C@H](c2ccccc2)CO1 ZINC000074991954 369894247 /nfs/dbraw/zinc/89/42/47/369894247.db2.gz DDKNARAULMUVTN-HOCLYGCPSA-N 1 1 290.432 3.095 20 30 CGEDMO CC[C@H]1C[N@H+]([C@@H](C)c2ccc(C#N)cc2)CCS1 ZINC000076071766 369929243 /nfs/dbraw/zinc/92/92/43/369929243.db2.gz ZFPDRUFZPYMVMI-WFASDCNBSA-N 1 1 260.406 3.447 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC000076737956 369941096 /nfs/dbraw/zinc/94/10/96/369941096.db2.gz FWSZARXQKNUWSE-UHFFFAOYSA-N 1 1 255.365 3.270 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000076734024 369941738 /nfs/dbraw/zinc/94/17/38/369941738.db2.gz JLRCVYLUWOLYEE-CQSZACIVSA-N 1 1 290.407 3.229 20 30 CGEDMO CCC(CC)[N@@H+](CCCC(C)(C)C#N)CCOC ZINC000087608630 370028496 /nfs/dbraw/zinc/02/84/96/370028496.db2.gz HOITUSJAHGVCBI-UHFFFAOYSA-N 1 1 254.418 3.453 20 30 CGEDMO C=CCCC[N@@H+](C)Cc1nc([C@@H](C)OCC(C)C)no1 ZINC000080629034 369991947 /nfs/dbraw/zinc/99/19/47/369991947.db2.gz IVABEMSWYRFGJB-CYBMUJFWSA-N 1 1 281.400 3.201 20 30 CGEDMO C=CCCC[N@H+](C)Cc1nc([C@@H](C)OCC(C)C)no1 ZINC000080629034 369991950 /nfs/dbraw/zinc/99/19/50/369991950.db2.gz IVABEMSWYRFGJB-CYBMUJFWSA-N 1 1 281.400 3.201 20 30 CGEDMO C[C@H]1C[C@@H](N[C@@H](CCC#N)c2ccccc2)C[N@@H+]1C1CC1 ZINC000090665834 370063229 /nfs/dbraw/zinc/06/32/29/370063229.db2.gz HKYXBIGXNVAWJD-LESCRADOSA-N 1 1 283.419 3.246 20 30 CGEDMO C[C@H]1C[C@@H](N[C@@H](CCC#N)c2ccccc2)C[N@H+]1C1CC1 ZINC000090665834 370063234 /nfs/dbraw/zinc/06/32/34/370063234.db2.gz HKYXBIGXNVAWJD-LESCRADOSA-N 1 1 283.419 3.246 20 30 CGEDMO CN(CC[N@@H+](C)CCCC(C)(C)C#N)C(=O)OC(C)(C)C ZINC000091768634 370076328 /nfs/dbraw/zinc/07/63/28/370076328.db2.gz LHBJYEMZSIHFPF-UHFFFAOYSA-N 1 1 297.443 3.115 20 30 CGEDMO C[C@H](c1ccncc1)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000091989754 370085331 /nfs/dbraw/zinc/08/53/31/370085331.db2.gz GDRAETIKKSVUAQ-CQSZACIVSA-N 1 1 268.335 3.265 20 30 CGEDMO C[C@H](c1ccncc1)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000091989754 370085334 /nfs/dbraw/zinc/08/53/34/370085334.db2.gz GDRAETIKKSVUAQ-CQSZACIVSA-N 1 1 268.335 3.265 20 30 CGEDMO CCC[N@@H+](CCC(=O)N(C)CCC#N)CC1CCCCC1 ZINC000092794691 370099311 /nfs/dbraw/zinc/09/93/11/370099311.db2.gz XBJIYKOCCGUZIZ-UHFFFAOYSA-N 1 1 293.455 3.041 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000093643704 370150643 /nfs/dbraw/zinc/15/06/43/370150643.db2.gz KYEMLNYWHOSSQT-RDJZCZTQSA-N 1 1 288.435 3.166 20 30 CGEDMO C=CCOc1ccc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000093643704 370150657 /nfs/dbraw/zinc/15/06/57/370150657.db2.gz KYEMLNYWHOSSQT-RDJZCZTQSA-N 1 1 288.435 3.166 20 30 CGEDMO C=CCOc1ccc(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000093643704 370150659 /nfs/dbraw/zinc/15/06/59/370150659.db2.gz KYEMLNYWHOSSQT-RDJZCZTQSA-N 1 1 288.435 3.166 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)Cc1cccc(F)c1 ZINC000097056752 370220396 /nfs/dbraw/zinc/22/03/96/370220396.db2.gz VHBSXYFDZUHHJQ-AWEZNQCLSA-N 1 1 292.398 3.071 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)Cc1cccc(F)c1 ZINC000097056752 370220404 /nfs/dbraw/zinc/22/04/04/370220404.db2.gz VHBSXYFDZUHHJQ-AWEZNQCLSA-N 1 1 292.398 3.071 20 30 CGEDMO CCC[N@@H+](CCCC#N)[C@@H](C)C(=O)Nc1ccccc1 ZINC000101549203 370290788 /nfs/dbraw/zinc/29/07/88/370290788.db2.gz AHJRQPCYIYNSAP-AWEZNQCLSA-N 1 1 273.380 3.029 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@H](Nc3ccccc3)C2)c1F ZINC000512432803 245035986 /nfs/dbraw/zinc/03/59/86/245035986.db2.gz ICOCKNSEQCQULM-KRWDZBQOSA-N 1 1 295.361 3.384 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCCNc1ccc(F)cc1C#N ZINC000113316853 370472072 /nfs/dbraw/zinc/47/20/72/370472072.db2.gz KXTALGGTPVRAQQ-CYBMUJFWSA-N 1 1 275.371 3.374 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000113900733 370485949 /nfs/dbraw/zinc/48/59/49/370485949.db2.gz WRAGTTLIYNYGJM-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)cc1 ZINC000129899445 371005567 /nfs/dbraw/zinc/00/55/67/371005567.db2.gz DILGQNLCWWNZIE-INIZCTEOSA-N 1 1 287.403 3.252 20 30 CGEDMO CC[C@H](O)[C@H]1CCCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000130350030 371027736 /nfs/dbraw/zinc/02/77/36/371027736.db2.gz NCHLIRLAWQUZHS-SJORKVTESA-N 1 1 291.822 3.317 20 30 CGEDMO C[N@H+](Cc1cnn(C(C)(C)C)c1)Cc1ccc(C#N)cc1 ZINC000131206034 371089675 /nfs/dbraw/zinc/08/96/75/371089675.db2.gz WFAJOHZPAHCIKQ-UHFFFAOYSA-N 1 1 282.391 3.142 20 30 CGEDMO C[N@@H+](Cc1cnn(C(C)(C)C)c1)Cc1ccc(C#N)cc1 ZINC000131206034 371089682 /nfs/dbraw/zinc/08/96/82/371089682.db2.gz WFAJOHZPAHCIKQ-UHFFFAOYSA-N 1 1 282.391 3.142 20 30 CGEDMO C=C(C)CN1CCC([NH2+]Cc2cnc(C(C)C)s2)CC1 ZINC000132234045 371160405 /nfs/dbraw/zinc/16/04/05/371160405.db2.gz PHCILGDNYVKORM-UHFFFAOYSA-N 1 1 293.480 3.397 20 30 CGEDMO CS[C@@H]1CCCC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000134585277 371351546 /nfs/dbraw/zinc/35/15/46/371351546.db2.gz ZUMXEHDANMHYTD-MRXNPFEDSA-N 1 1 290.432 3.155 20 30 CGEDMO COc1ccc(C[N@@H+](C(C)C)C2CCC2)cc1C#N ZINC000135198191 371400389 /nfs/dbraw/zinc/40/03/89/371400389.db2.gz NLVWORNJKKHAFM-UHFFFAOYSA-N 1 1 258.365 3.330 20 30 CGEDMO CN1CCC[C@H](C[N@H+](C)Cc2ccccc2C(C)(C)C#N)C1 ZINC000135234149 371404133 /nfs/dbraw/zinc/40/41/33/371404133.db2.gz ZUWJJCLWISBMSL-INIZCTEOSA-N 1 1 299.462 3.261 20 30 CGEDMO CN1CCC[C@H](C[N@@H+](C)Cc2ccccc2C(C)(C)C#N)C1 ZINC000135234149 371404138 /nfs/dbraw/zinc/40/41/38/371404138.db2.gz ZUWJJCLWISBMSL-INIZCTEOSA-N 1 1 299.462 3.261 20 30 CGEDMO CN(Cc1ccccc1C(C)(C)C#N)C[C@H]1CCC[N@H+](C)C1 ZINC000135234149 371404141 /nfs/dbraw/zinc/40/41/41/371404141.db2.gz ZUWJJCLWISBMSL-INIZCTEOSA-N 1 1 299.462 3.261 20 30 CGEDMO CN(Cc1ccccc1C(C)(C)C#N)C[C@H]1CCC[N@@H+](C)C1 ZINC000135234149 371404146 /nfs/dbraw/zinc/40/41/46/371404146.db2.gz ZUWJJCLWISBMSL-INIZCTEOSA-N 1 1 299.462 3.261 20 30 CGEDMO C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2C(C)(C)C#N)CCN1C ZINC000135249098 371406216 /nfs/dbraw/zinc/40/62/16/371406216.db2.gz ZJPRFRFFZUMGRA-WBVHZDCISA-N 1 1 299.462 3.402 20 30 CGEDMO C[C@@H]1C[C@@H](N(C)Cc2ccccc2C(C)(C)C#N)CC[N@@H+]1C ZINC000135249098 371406248 /nfs/dbraw/zinc/40/62/48/371406248.db2.gz ZJPRFRFFZUMGRA-WBVHZDCISA-N 1 1 299.462 3.402 20 30 CGEDMO C[C@@H]1C[C@@H](N(C)Cc2ccccc2C(C)(C)C#N)CC[N@H+]1C ZINC000135249098 371406254 /nfs/dbraw/zinc/40/62/54/371406254.db2.gz ZJPRFRFFZUMGRA-WBVHZDCISA-N 1 1 299.462 3.402 20 30 CGEDMO CSC[C@H]1CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000135440258 371427430 /nfs/dbraw/zinc/42/74/30/371427430.db2.gz HPTWJNFJZGADEB-CYBMUJFWSA-N 1 1 264.369 3.025 20 30 CGEDMO Cc1nsc(NCCCC[N@@H+]2CCC[C@H](C)C2)c1C#N ZINC000286537416 371515246 /nfs/dbraw/zinc/51/52/46/371515246.db2.gz YPDCPVHYCJTGLB-LBPRGKRZSA-N 1 1 292.452 3.247 20 30 CGEDMO Cc1cnn([C@H]2CC[N@H+]([C@H](C)c3cccc(C#N)c3)C2)c1 ZINC000289739465 371807020 /nfs/dbraw/zinc/80/70/20/371807020.db2.gz DWCVANYPGYHNFP-PBHICJAKSA-N 1 1 280.375 3.071 20 30 CGEDMO N#Cc1c(C[N@H+]2CC[C@@H](C3CC3)C2)cn2ccccc12 ZINC000344043474 217026389 /nfs/dbraw/zinc/02/63/89/217026389.db2.gz ZUNACSGAVZAOSN-CQSZACIVSA-N 1 1 265.360 3.043 20 30 CGEDMO Cc1ccn2cc(C[NH2+][C@@H](C)c3cccc(C#N)c3)nc2c1 ZINC000344065622 217035077 /nfs/dbraw/zinc/03/50/77/217035077.db2.gz CJQQBMAERAHPHQ-AWEZNQCLSA-N 1 1 290.370 3.365 20 30 CGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000344067580 217035781 /nfs/dbraw/zinc/03/57/81/217035781.db2.gz PVSLAQJUVYBMDH-HUUCEWRRSA-N 1 1 297.402 3.173 20 30 CGEDMO CC#CCC[N@H+](CC)[C@@H](C)Cc1ccc(OC)cc1 ZINC000155640204 371937055 /nfs/dbraw/zinc/93/70/55/371937055.db2.gz DQTSFONTQMOOGU-HNNXBMFYSA-N 1 1 259.393 3.362 20 30 CGEDMO C[NH+](C)C[C@@H](NCc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000290060378 371891367 /nfs/dbraw/zinc/89/13/67/371891367.db2.gz HEJCZBPWRIXBRX-GOSISDBHSA-N 1 1 297.377 3.090 20 30 CGEDMO CC#CCC[N@@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000155339827 371921368 /nfs/dbraw/zinc/92/13/68/371921368.db2.gz GCJYYJBJQGDNGX-UHFFFAOYSA-N 1 1 281.403 3.355 20 30 CGEDMO COc1ccc(C[N@H+](C)CC#Cc2ccc(F)cc2)cc1O ZINC000156764484 371993846 /nfs/dbraw/zinc/99/38/46/371993846.db2.gz XTPBDYQBNUIIRH-UHFFFAOYSA-N 1 1 299.345 3.023 20 30 CGEDMO COc1ccc(C[N@@H+](C)CC#Cc2ccc(F)cc2)cc1O ZINC000156764484 371993851 /nfs/dbraw/zinc/99/38/51/371993851.db2.gz XTPBDYQBNUIIRH-UHFFFAOYSA-N 1 1 299.345 3.023 20 30 CGEDMO CC(C)CO[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000156929972 372000919 /nfs/dbraw/zinc/00/09/19/372000919.db2.gz AGBQTBGTXLOEDE-QGZVFWFLSA-N 1 1 291.822 3.438 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000424615171 372088695 /nfs/dbraw/zinc/08/86/95/372088695.db2.gz XRCRLICEHSPMRZ-UHFFFAOYSA-N 1 1 288.435 3.357 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425547480 372132827 /nfs/dbraw/zinc/13/28/27/372132827.db2.gz IJWNRQAANOKATP-HUUCEWRRSA-N 1 1 265.784 3.414 20 30 CGEDMO C#C[C@@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291469512 372169800 /nfs/dbraw/zinc/16/98/00/372169800.db2.gz DRTNGMLVBGGPES-SSDOTTSWSA-N 1 1 273.119 3.013 20 30 CGEDMO C=C(C)C[N@H+](Cc1n[nH]cc1C)Cc1ccccc1 ZINC000291645878 372172876 /nfs/dbraw/zinc/17/28/76/372172876.db2.gz UEQHFSKENKBNDC-UHFFFAOYSA-N 1 1 255.365 3.296 20 30 CGEDMO C=C(C)C[N@@H+](Cc1n[nH]cc1C)Cc1ccccc1 ZINC000291645878 372172880 /nfs/dbraw/zinc/17/28/80/372172880.db2.gz UEQHFSKENKBNDC-UHFFFAOYSA-N 1 1 255.365 3.296 20 30 CGEDMO C=C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000428045968 372178534 /nfs/dbraw/zinc/17/85/34/372178534.db2.gz SKJSCJSJVMSDMD-CVEARBPZSA-N 1 1 290.451 3.208 20 30 CGEDMO CC[N@@H+](CCc1nccs1)Cc1ccc(F)c(C#N)c1 ZINC000159285693 372126995 /nfs/dbraw/zinc/12/69/95/372126995.db2.gz KDFSCQONPNFAAP-UHFFFAOYSA-N 1 1 289.379 3.218 20 30 CGEDMO C[N@H+]1CCC[C@@]2(CCN(c3c(Cl)cccc3C#N)C2)C1 ZINC000292896614 372242354 /nfs/dbraw/zinc/24/23/54/372242354.db2.gz WKCHRPYQDCBNHM-MRXNPFEDSA-N 1 1 289.810 3.134 20 30 CGEDMO C=CCC(C)(C)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000292200553 372183112 /nfs/dbraw/zinc/18/31/12/372183112.db2.gz IMLABJOMLXJZKE-UHFFFAOYSA-N 1 1 288.435 3.227 20 30 CGEDMO Cc1cc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)ncn1 ZINC000292186710 372183689 /nfs/dbraw/zinc/18/36/89/372183689.db2.gz NLVAZFAIJAEHKU-UHFFFAOYSA-N 1 1 280.375 3.067 20 30 CGEDMO CSC[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000292299765 372186182 /nfs/dbraw/zinc/18/61/82/372186182.db2.gz DCYCJRCPDKSRKZ-INIZCTEOSA-N 1 1 259.418 3.113 20 30 CGEDMO CC(C)[N@@H+](CCCSCC#N)CCc1nccs1 ZINC000159856628 372186246 /nfs/dbraw/zinc/18/62/46/372186246.db2.gz ZJQBBKORJOZXGP-UHFFFAOYSA-N 1 1 283.466 3.043 20 30 CGEDMO C=CCOCC[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000292675462 372199421 /nfs/dbraw/zinc/19/94/21/372199421.db2.gz BIHDXMLVOLGILO-AWEZNQCLSA-N 1 1 274.389 3.025 20 30 CGEDMO CC(C)[C@@H]1C[N@H+]([C@H](C)c2ccc(C#N)cc2)CCCO1 ZINC000293189331 372321082 /nfs/dbraw/zinc/32/10/82/372321082.db2.gz QDHYRQNLGCKENB-PBHICJAKSA-N 1 1 272.392 3.366 20 30 CGEDMO N#Cc1ccc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(F)c1 ZINC000161913475 372361187 /nfs/dbraw/zinc/36/11/87/372361187.db2.gz ZFCSWEHROGOAFD-PBHICJAKSA-N 1 1 299.393 3.150 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2Br)[C@@H]1C ZINC000293338678 372359401 /nfs/dbraw/zinc/35/94/01/372359401.db2.gz GXIOTFXRLMXZJK-NXEZZACHSA-N 1 1 279.181 3.161 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)[C@@H]1C ZINC000293338678 372359405 /nfs/dbraw/zinc/35/94/05/372359405.db2.gz GXIOTFXRLMXZJK-NXEZZACHSA-N 1 1 279.181 3.161 20 30 CGEDMO C=CCC(C)(C)CNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000432554366 372569055 /nfs/dbraw/zinc/56/90/55/372569055.db2.gz CBZWYMCEWMBBAN-HNNXBMFYSA-N 1 1 295.471 3.008 20 30 CGEDMO C=CC[N@@H+](CCOC)Cc1ccc(C(F)(F)F)s1 ZINC000432930326 372575564 /nfs/dbraw/zinc/57/55/64/372575564.db2.gz XLVNTKODGBUSCC-UHFFFAOYSA-N 1 1 279.327 3.401 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccc(C(F)(F)F)s1 ZINC000432930326 372575566 /nfs/dbraw/zinc/57/55/66/372575566.db2.gz XLVNTKODGBUSCC-UHFFFAOYSA-N 1 1 279.327 3.401 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1nc2ccc(F)cc2s1 ZINC000432924992 372576773 /nfs/dbraw/zinc/57/67/73/372576773.db2.gz PRTMKEJBPDDRBV-UHFFFAOYSA-N 1 1 250.342 3.443 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1nc2ccc(F)cc2s1 ZINC000432924992 372576777 /nfs/dbraw/zinc/57/67/77/372576777.db2.gz PRTMKEJBPDDRBV-UHFFFAOYSA-N 1 1 250.342 3.443 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)C1CCC(C(C)C)CC1 ZINC000433161893 372581432 /nfs/dbraw/zinc/58/14/32/372581432.db2.gz LCUBDOAFJKQYFG-UYSNPLJNSA-N 1 1 253.430 3.460 20 30 CGEDMO C[N@H+](C[C@@H](O)Cc1ccc2ccccc2c1)CC(C)(C)C#N ZINC000433308990 372588700 /nfs/dbraw/zinc/58/87/00/372588700.db2.gz WCTIGPQZAZVGTH-SFHVURJKSA-N 1 1 296.414 3.225 20 30 CGEDMO C[N@@H+](C[C@@H](O)Cc1ccc2ccccc2c1)CC(C)(C)C#N ZINC000433308990 372588704 /nfs/dbraw/zinc/58/87/04/372588704.db2.gz WCTIGPQZAZVGTH-SFHVURJKSA-N 1 1 296.414 3.225 20 30 CGEDMO COCC[C@H](c1ccccc1)[N@@H+](C)CC(C)(C)C#N ZINC000433314543 372589425 /nfs/dbraw/zinc/58/94/25/372589425.db2.gz ZZYHDMUQIRNIIL-OAHLLOKOSA-N 1 1 260.381 3.246 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1ccc(-c2cc[nH]n2)o1 ZINC000434985989 372721348 /nfs/dbraw/zinc/72/13/48/372721348.db2.gz LREKJPUIZBLLRN-UHFFFAOYSA-N 1 1 297.358 3.493 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2cc[nH]n2)o1 ZINC000434984610 372722170 /nfs/dbraw/zinc/72/21/70/372722170.db2.gz YHCFRXCQOQJKCI-GFCCVEGCSA-N 1 1 257.337 3.210 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC[C@@H]1CCOC1 ZINC000438123801 372893648 /nfs/dbraw/zinc/89/36/48/372893648.db2.gz TYZDYCZUSRZAQU-KBAYOESNSA-N 1 1 284.403 3.185 20 30 CGEDMO CCC[N@@H+](CC)C[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000353479376 220107589 /nfs/dbraw/zinc/10/75/89/220107589.db2.gz AKCNWKZZMONFRC-CABCVRRESA-N 1 1 273.424 3.329 20 30 CGEDMO CCCN(CC)C[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000353479376 220107590 /nfs/dbraw/zinc/10/75/90/220107590.db2.gz AKCNWKZZMONFRC-CABCVRRESA-N 1 1 273.424 3.329 20 30 CGEDMO CSc1ccc(F)cc1C[NH2+]Cc1ccc(C#N)o1 ZINC000344740891 217296237 /nfs/dbraw/zinc/29/62/37/217296237.db2.gz MIWDWCNZXFFCDS-UHFFFAOYSA-N 1 1 276.336 3.302 20 30 CGEDMO C=CCCCCC[NH2+]C(C)(C)c1noc(CC)n1 ZINC000441267883 373000442 /nfs/dbraw/zinc/00/04/42/373000442.db2.gz KBVMLALMULHKCR-UHFFFAOYSA-N 1 1 251.374 3.203 20 30 CGEDMO C=CC[N@H+](CCC(=O)N1CCC[C@@H]1C)CC1CCCCC1 ZINC000441397966 373008023 /nfs/dbraw/zinc/00/80/23/373008023.db2.gz XLFAWWRENQEZTP-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO N#C[C@H]1CC[C@H]([NH2+]CC2(N3CCCCC3)CCCCC2)C1 ZINC000442636029 373061806 /nfs/dbraw/zinc/06/18/06/373061806.db2.gz RNFANJYHRDWXNC-IRXDYDNUSA-N 1 1 289.467 3.457 20 30 CGEDMO CC[NH+](CC)[C@H](CN[C@H]1CC[C@@H](C#N)C1)CC(C)C ZINC000442710481 373068458 /nfs/dbraw/zinc/06/84/58/373068458.db2.gz CQDMUWDDOBCJQO-PMPSAXMXSA-N 1 1 265.445 3.025 20 30 CGEDMO C[C@H](CC[NH2+][C@H]1CC[C@@H](C#N)C1)N(C)Cc1ccccc1 ZINC000442767073 373075750 /nfs/dbraw/zinc/07/57/50/373075750.db2.gz LZBGCHAMSNZNBK-NXHRZFHOSA-N 1 1 285.435 3.179 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(C#N)c(OC)c1 ZINC000442814744 373093032 /nfs/dbraw/zinc/09/30/32/373093032.db2.gz DDFFVPVDFUYVEC-UHFFFAOYSA-N 1 1 296.370 3.391 20 30 CGEDMO CC[C@H]([NH2+]Cc1nccn1CC)c1ccc(C#N)cc1 ZINC000296345370 373098023 /nfs/dbraw/zinc/09/80/23/373098023.db2.gz IBJPDJZSAREXJH-HNNXBMFYSA-N 1 1 268.364 3.016 20 30 CGEDMO C=CCCC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000173528114 373153268 /nfs/dbraw/zinc/15/32/68/373153268.db2.gz YRGHDAARQAQFDW-INIZCTEOSA-N 1 1 286.419 3.076 20 30 CGEDMO CN(C)c1cccc(C[N@H+](C)Cc2cc(C#N)ccc2F)c1 ZINC000173449697 373142250 /nfs/dbraw/zinc/14/22/50/373142250.db2.gz LEMZHFLKDSOZFQ-UHFFFAOYSA-N 1 1 297.377 3.395 20 30 CGEDMO CN(C)c1cccc(C[N@@H+](C)Cc2cc(C#N)ccc2F)c1 ZINC000173449697 373142253 /nfs/dbraw/zinc/14/22/53/373142253.db2.gz LEMZHFLKDSOZFQ-UHFFFAOYSA-N 1 1 297.377 3.395 20 30 CGEDMO C[C@@H]1CCC[C@H](C)C[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000444220206 373175745 /nfs/dbraw/zinc/17/57/45/373175745.db2.gz BHTFXIMTWDKZNH-LSDHHAIUSA-N 1 1 299.418 3.397 20 30 CGEDMO C=CC[C@@H]1[N@H+](CC(=O)N2CCCCC2)CCCC1(C)C ZINC000444781129 373271775 /nfs/dbraw/zinc/27/17/75/373271775.db2.gz GPNPVXFJJKAUOF-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c1F ZINC000444721378 373250199 /nfs/dbraw/zinc/25/01/99/373250199.db2.gz WDUWPRFBAKFTBZ-SNVBAGLBSA-N 1 1 286.272 3.472 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@H](CC(F)(F)F)C2)c1F ZINC000444721378 373250205 /nfs/dbraw/zinc/25/02/05/373250205.db2.gz WDUWPRFBAKFTBZ-SNVBAGLBSA-N 1 1 286.272 3.472 20 30 CGEDMO C=CC[C@H]1[N@H+](C[C@@H](O)CC(F)(F)F)CCCC1(C)C ZINC000444776245 373269808 /nfs/dbraw/zinc/26/98/08/373269808.db2.gz OXHAVLFATGAVAB-NWDGAFQWSA-N 1 1 279.346 3.366 20 30 CGEDMO Cc1cc([C@H]2CCC[N@@H+]2CC#Cc2ccc(F)cc2)on1 ZINC000446760118 373359149 /nfs/dbraw/zinc/35/91/49/373359149.db2.gz IJMKFGYJVWASKJ-MRXNPFEDSA-N 1 1 284.334 3.311 20 30 CGEDMO Cc1cc([C@H]2CCC[N@H+]2CC#Cc2ccc(F)cc2)on1 ZINC000446760118 373359151 /nfs/dbraw/zinc/35/91/51/373359151.db2.gz IJMKFGYJVWASKJ-MRXNPFEDSA-N 1 1 284.334 3.311 20 30 CGEDMO C=CC[N@@H+](CCOC)Cc1ccc(C)cc1Cl ZINC000447327044 373425700 /nfs/dbraw/zinc/42/57/00/373425700.db2.gz UBCAYHGJUMWKKO-UHFFFAOYSA-N 1 1 253.773 3.283 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccc(C)cc1Cl ZINC000447327044 373425707 /nfs/dbraw/zinc/42/57/07/373425707.db2.gz UBCAYHGJUMWKKO-UHFFFAOYSA-N 1 1 253.773 3.283 20 30 CGEDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1C[C@H](C#N)CCC#N ZINC000175605299 373491232 /nfs/dbraw/zinc/49/12/32/373491232.db2.gz ZBPOWXRRBRKEAI-VYDXJSESSA-N 1 1 267.376 3.308 20 30 CGEDMO Cc1csc(C2([NH2+]Cc3cccc(C#N)c3)CCC2)n1 ZINC000299638854 373587787 /nfs/dbraw/zinc/58/77/87/373587787.db2.gz SHRXUKKGLGFIGD-UHFFFAOYSA-N 1 1 283.400 3.492 20 30 CGEDMO C=CCC1(C(=O)NCC[N@H+](CC)C2CC2)CCCCC1 ZINC000448899401 373647985 /nfs/dbraw/zinc/64/79/85/373647985.db2.gz WCAMXGPZWBTHLI-UHFFFAOYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@H+](Cc1ccnc(OC)n1)CC1CCCCC1 ZINC000449035711 373655863 /nfs/dbraw/zinc/65/58/63/373655863.db2.gz POTOVLQYSHNNTO-UHFFFAOYSA-N 1 1 275.396 3.054 20 30 CGEDMO COc1cc(C[N@H+]2CC[C@H](C)[C@H](C)C2)ccc1C#N ZINC000300115484 373620336 /nfs/dbraw/zinc/62/03/36/373620336.db2.gz IEVXEAVPAIHJHO-QWHCGFSZSA-N 1 1 258.365 3.045 20 30 CGEDMO N#CCC[C@@H]([NH2+]Cc1ccncc1F)c1ccccc1 ZINC000449201746 373670505 /nfs/dbraw/zinc/67/05/05/373670505.db2.gz IZZSLOUGQJVALH-MRXNPFEDSA-N 1 1 269.323 3.355 20 30 CGEDMO C[C@@]12C[N@@H+](Cc3ccccc3C#N)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000449449037 373728838 /nfs/dbraw/zinc/72/88/38/373728838.db2.gz KILPCFVPFRBPMI-QCSYZSNVSA-N 1 1 264.372 3.202 20 30 CGEDMO C=CCOc1cccc(C[N@H+](C)[C@H](CO)c2ccccc2)c1 ZINC000449460010 373742694 /nfs/dbraw/zinc/74/26/94/373742694.db2.gz YOQIDIVSAKBMFZ-LJQANCHMSA-N 1 1 297.398 3.417 20 30 CGEDMO C=C(C)C[N@@H+](CC)C[C@H](O)COc1cccc2ccccc21 ZINC000301313857 373743041 /nfs/dbraw/zinc/74/30/41/373743041.db2.gz HGISGJXQAFTSLL-KRWDZBQOSA-N 1 1 299.414 3.478 20 30 CGEDMO N#Cc1nc(N[C@H]2CC[N@H+](C3CCCC3)C2)ccc1Cl ZINC000301390817 373769464 /nfs/dbraw/zinc/76/94/64/373769464.db2.gz GPNJYYIXXSXKCQ-NSHDSACASA-N 1 1 290.798 3.035 20 30 CGEDMO C[C@H](C1CC1)[N@@H+](CC#Cc1ccc(F)cc1)C1CC1 ZINC000178914039 373816423 /nfs/dbraw/zinc/81/64/23/373816423.db2.gz RZFRCESLCAEWGP-CYBMUJFWSA-N 1 1 257.352 3.440 20 30 CGEDMO C=CC(C)(C)C[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC000449486722 373777687 /nfs/dbraw/zinc/77/76/87/373777687.db2.gz UWQPIUYNDAXWFF-UHFFFAOYSA-N 1 1 255.365 3.379 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@H](OCC)[C@H](C)C1 ZINC000449491787 373781966 /nfs/dbraw/zinc/78/19/66/373781966.db2.gz HYDSXQLHGAMMLJ-WBVHZDCISA-N 1 1 289.419 3.498 20 30 CGEDMO CC[C@H](C)C[N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000179940396 373942739 /nfs/dbraw/zinc/94/27/39/373942739.db2.gz BCSUCPQWAKOKMG-AWEZNQCLSA-N 1 1 296.418 3.437 20 30 CGEDMO C=CC[N@H+](CC(=O)N1CCCCCC1)CC1CCCCC1 ZINC000303452671 374017527 /nfs/dbraw/zinc/01/75/27/374017527.db2.gz LDQLUBKCRDJVFP-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C[C@@H](NCC(C)(C)[NH+]1CCCCC1)c1ccc(C#N)cc1 ZINC000181395832 374117963 /nfs/dbraw/zinc/11/79/63/374117963.db2.gz URLZJTOGECCBRG-OAHLLOKOSA-N 1 1 285.435 3.473 20 30 CGEDMO N#CC1(C[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)CCC1 ZINC000450625239 374166390 /nfs/dbraw/zinc/16/63/90/374166390.db2.gz PSBXCWCLUGRZRQ-HNNXBMFYSA-N 1 1 294.402 3.195 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)CCCCC1 ZINC000450790525 374179632 /nfs/dbraw/zinc/17/96/32/374179632.db2.gz HJVBZJKLGYOLSU-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000182031508 374207872 /nfs/dbraw/zinc/20/78/72/374207872.db2.gz GBZBLDNQESGUGD-IBGZPJMESA-N 1 1 294.398 3.248 20 30 CGEDMO C[C@@H]1C[NH+](Cc2ccc(Br)cc2C#N)C[C@H]1C ZINC000310388797 374213999 /nfs/dbraw/zinc/21/39/99/374213999.db2.gz RDIQJBIVWSVRHM-GHMZBOCLSA-N 1 1 293.208 3.409 20 30 CGEDMO C[C@H]1C[NH+](Cc2ccc(Br)cc2C#N)C[C@@H]1C ZINC000310388799 374214631 /nfs/dbraw/zinc/21/46/31/374214631.db2.gz RDIQJBIVWSVRHM-QWRGUYRKSA-N 1 1 293.208 3.409 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1F ZINC000311839797 374256870 /nfs/dbraw/zinc/25/68/70/374256870.db2.gz HHZNRGRBQLHBFX-OKILXGFUSA-N 1 1 258.340 3.319 20 30 CGEDMO CCCC[C@H](C)[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000315119176 374326883 /nfs/dbraw/zinc/32/68/83/374326883.db2.gz KIXYGVAYWGDVPV-AWEZNQCLSA-N 1 1 287.407 3.397 20 30 CGEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CC[C@H](C2CC2)C1 ZINC000328985419 374398392 /nfs/dbraw/zinc/39/83/92/374398392.db2.gz ZRAKCCZIUMWETH-HIFRSBDPSA-N 1 1 289.423 3.290 20 30 CGEDMO Cc1noc(C2CC2)c1NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000329821857 374434111 /nfs/dbraw/zinc/43/41/11/374434111.db2.gz AQQZZWJCCKODNN-AOOOYVTPSA-N 1 1 277.368 3.321 20 30 CGEDMO Cc1noc(C2CC2)c1NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000329821857 374434122 /nfs/dbraw/zinc/43/41/22/374434122.db2.gz AQQZZWJCCKODNN-AOOOYVTPSA-N 1 1 277.368 3.321 20 30 CGEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000329393173 374406866 /nfs/dbraw/zinc/40/68/66/374406866.db2.gz UOGBCRLWLIFGMJ-ZIAGYGMSSA-N 1 1 290.411 3.008 20 30 CGEDMO C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000329393173 374406868 /nfs/dbraw/zinc/40/68/68/374406868.db2.gz UOGBCRLWLIFGMJ-ZIAGYGMSSA-N 1 1 290.411 3.008 20 30 CGEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000329393173 374406872 /nfs/dbraw/zinc/40/68/72/374406872.db2.gz UOGBCRLWLIFGMJ-ZIAGYGMSSA-N 1 1 290.411 3.008 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](C)CCc2ccncc2)c1 ZINC000183753386 374450887 /nfs/dbraw/zinc/45/08/87/374450887.db2.gz LLNYNCMCUZYZIR-UHFFFAOYSA-N 1 1 282.387 3.321 20 30 CGEDMO C[C@H](C[N@@H+](C)Cc1ccc(F)cc1C#N)c1nccs1 ZINC000183991188 374479993 /nfs/dbraw/zinc/47/99/93/374479993.db2.gz MCBQUYBHKUSBHA-LLVKDONJSA-N 1 1 289.379 3.389 20 30 CGEDMO C[C@@H](C[N@H+](C)Cc1cc(F)ccc1C#N)c1nccs1 ZINC000184016659 374484304 /nfs/dbraw/zinc/48/43/04/374484304.db2.gz RYUOKZNJEMXRBY-NSHDSACASA-N 1 1 289.379 3.389 20 30 CGEDMO C[C@@H](C[N@@H+](C)Cc1cc(F)ccc1C#N)c1nccs1 ZINC000184016659 374484312 /nfs/dbraw/zinc/48/43/12/374484312.db2.gz RYUOKZNJEMXRBY-NSHDSACASA-N 1 1 289.379 3.389 20 30 CGEDMO C=CC[NH2+][C@@H](CC)c1nc(C(F)(F)F)cs1 ZINC000185955538 374773744 /nfs/dbraw/zinc/77/37/44/374773744.db2.gz YZBKRXHICRYCOS-ZETCQYMHSA-N 1 1 250.289 3.389 20 30 CGEDMO N#CC1(CC[N@H+]2CCS[C@@H]3COCC[C@H]32)CCCCC1 ZINC000334562569 374862111 /nfs/dbraw/zinc/86/21/11/374862111.db2.gz MZQCRBKNIPQMHP-HUUCEWRRSA-N 1 1 294.464 3.057 20 30 CGEDMO COC[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000187034524 374960088 /nfs/dbraw/zinc/96/00/88/374960088.db2.gz GXXBWVAJQWUVQC-GFCCVEGCSA-N 1 1 278.783 3.070 20 30 CGEDMO COC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000187034524 374960090 /nfs/dbraw/zinc/96/00/90/374960090.db2.gz GXXBWVAJQWUVQC-GFCCVEGCSA-N 1 1 278.783 3.070 20 30 CGEDMO C=C(C)C[N@H+](CC(=O)NC1CCCC1)Cc1ccccc1 ZINC000470912265 375000829 /nfs/dbraw/zinc/00/08/29/375000829.db2.gz DMVHMBMCWDMAKH-UHFFFAOYSA-N 1 1 286.419 3.124 20 30 CGEDMO C=C(C)C[N@@H+](CC(=O)NC1CCCC1)Cc1ccccc1 ZINC000470912265 375000838 /nfs/dbraw/zinc/00/08/38/375000838.db2.gz DMVHMBMCWDMAKH-UHFFFAOYSA-N 1 1 286.419 3.124 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@H](c2ccc(C)cc2C)C1 ZINC000471015825 375003443 /nfs/dbraw/zinc/00/34/43/375003443.db2.gz AFLBCWCSBPTSEF-IRXDYDNUSA-N 1 1 273.420 3.420 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000472567444 375025134 /nfs/dbraw/zinc/02/51/34/375025134.db2.gz CKDZDKYNRILKFK-JQHSSLGASA-N 1 1 273.420 3.267 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000472583612 375026879 /nfs/dbraw/zinc/02/68/79/375026879.db2.gz FDZGHFIHPPVTNG-SZMVWBNQSA-N 1 1 273.420 3.439 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)C[C@H]1CC[C@H](C)O1 ZINC000475048490 375130633 /nfs/dbraw/zinc/13/06/33/375130633.db2.gz PJEPSEWHPSEOHV-DOTOQJQBSA-N 1 1 259.393 3.285 20 30 CGEDMO C=C(C)CN(C)C(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000479212204 375149840 /nfs/dbraw/zinc/14/98/40/375149840.db2.gz HENSEXMEFYRZQN-UHFFFAOYSA-N 1 1 286.419 3.319 20 30 CGEDMO C=CC[N@H+](CCCc1ccc(Cl)cc1)CCOC ZINC000484560147 375188759 /nfs/dbraw/zinc/18/87/59/375188759.db2.gz WPSDDEDJXLCQQC-UHFFFAOYSA-N 1 1 267.800 3.407 20 30 CGEDMO C=CC[N@H+](CC(=O)N[C@H](C)C(C)C)CC1CCCCC1 ZINC000484513487 375189297 /nfs/dbraw/zinc/18/92/97/375189297.db2.gz KBHZXLNDRZGFLL-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cccc(C#N)c1F ZINC000335689114 375348794 /nfs/dbraw/zinc/34/87/94/375348794.db2.gz COGIJZWENPREIK-CABZTGNLSA-N 1 1 286.272 3.470 20 30 CGEDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cccc(C#N)c1F ZINC000335689114 375348799 /nfs/dbraw/zinc/34/87/99/375348799.db2.gz COGIJZWENPREIK-CABZTGNLSA-N 1 1 286.272 3.470 20 30 CGEDMO C[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000335825723 375462208 /nfs/dbraw/zinc/46/22/08/375462208.db2.gz QVRMTIUPKGXMGM-ZWNOBZJWSA-N 1 1 285.313 3.060 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000494334413 375488258 /nfs/dbraw/zinc/48/82/58/375488258.db2.gz PZVUDSBGANQXKE-GJZGRUSLSA-N 1 1 294.439 3.025 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1 ZINC000289482512 197368567 /nfs/dbraw/zinc/36/85/67/197368567.db2.gz IIOULKDYGWFMGQ-SJORKVTESA-N 1 1 282.387 3.092 20 30 CGEDMO CC#CCC[N@@H+]1CC[C@](F)(c2cc(C)cc(F)c2)C1 ZINC000502904545 375648571 /nfs/dbraw/zinc/64/85/71/375648571.db2.gz AKAQUCMTANXNRJ-MRXNPFEDSA-N 1 1 263.331 3.418 20 30 CGEDMO CC#CCC[N@H+]1CC[C@](F)(c2cc(C)cc(F)c2)C1 ZINC000502904545 375648575 /nfs/dbraw/zinc/64/85/75/375648575.db2.gz AKAQUCMTANXNRJ-MRXNPFEDSA-N 1 1 263.331 3.418 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000121221037 542016910 /nfs/dbraw/zinc/01/69/10/542016910.db2.gz BLARJMUWMMOUGE-OAHLLOKOSA-N 1 1 297.402 3.354 20 30 CGEDMO CC[N@@H+](Cc1ccc(-n2ccnc2)cc1C)C[C@H](C)C#N ZINC000191976416 375686469 /nfs/dbraw/zinc/68/64/69/375686469.db2.gz NYYZIGVPPVWKAE-CQSZACIVSA-N 1 1 282.391 3.162 20 30 CGEDMO CC[N@H+](Cc1ccc(-n2ccnc2)cc1C)C[C@H](C)C#N ZINC000191976416 375686474 /nfs/dbraw/zinc/68/64/74/375686474.db2.gz NYYZIGVPPVWKAE-CQSZACIVSA-N 1 1 282.391 3.162 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)c(F)c1)C[C@@H]1CCCCO1 ZINC000192101834 375699176 /nfs/dbraw/zinc/69/91/76/375699176.db2.gz QRQUKMGMWSBHOE-INIZCTEOSA-N 1 1 290.382 3.478 20 30 CGEDMO CO[C@@]1(C)CCC[N@@H+](Cc2cccc(F)c2C#N)CC1 ZINC000336124335 375704045 /nfs/dbraw/zinc/70/40/45/375704045.db2.gz QFCZVNPOKOUAPT-INIZCTEOSA-N 1 1 276.355 3.088 20 30 CGEDMO C=CCC[C@H]([NH2+]Cc1ncccn1)c1ccccc1 ZINC000192159936 375704728 /nfs/dbraw/zinc/70/47/28/375704728.db2.gz KYNHNXPEMVDSSM-HNNXBMFYSA-N 1 1 253.349 3.274 20 30 CGEDMO C=C(C)CCN1CC[N@@H+](CCC(=C)C)CC1(C)C ZINC000509340855 375778656 /nfs/dbraw/zinc/77/86/56/375778656.db2.gz CVEYSTBWBOYPLY-UHFFFAOYSA-N 1 1 250.430 3.315 20 30 CGEDMO C=C(C)CCN1CC[N@H+](CCC(=C)C)C(C)(C)C1 ZINC000509340855 375778658 /nfs/dbraw/zinc/77/86/58/375778658.db2.gz CVEYSTBWBOYPLY-UHFFFAOYSA-N 1 1 250.430 3.315 20 30 CGEDMO C=C(C)CCN1CC[N@@H+](CCC(=C)C)C(C)(C)C1 ZINC000509340855 375778664 /nfs/dbraw/zinc/77/86/64/375778664.db2.gz CVEYSTBWBOYPLY-UHFFFAOYSA-N 1 1 250.430 3.315 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)CC1CCCC1 ZINC000512200707 375795281 /nfs/dbraw/zinc/79/52/81/375795281.db2.gz XIUTWDNAGNLJBR-UHFFFAOYSA-N 1 1 263.381 3.340 20 30 CGEDMO CC(C)[N@H+](CC#Cc1ccccc1)Cc1ccccn1 ZINC000519509689 375839978 /nfs/dbraw/zinc/83/99/78/375839978.db2.gz OPEIXEKZHVYCRF-UHFFFAOYSA-N 1 1 264.372 3.344 20 30 CGEDMO CC(C)[N@@H+](CC#Cc1ccccc1)Cc1ccccn1 ZINC000519509689 375839982 /nfs/dbraw/zinc/83/99/82/375839982.db2.gz OPEIXEKZHVYCRF-UHFFFAOYSA-N 1 1 264.372 3.344 20 30 CGEDMO N#CCC[N@@H+](CCCc1ccc2c(c1)CCO2)CC1CC1 ZINC000193245808 375847510 /nfs/dbraw/zinc/84/75/10/375847510.db2.gz QCCIHYANWXOMCL-UHFFFAOYSA-N 1 1 284.403 3.180 20 30 CGEDMO C=CCOCC[N@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC000528721422 375908583 /nfs/dbraw/zinc/90/85/83/375908583.db2.gz UGBKIHMPUVOOHO-UHFFFAOYSA-N 1 1 285.309 3.266 20 30 CGEDMO C=CCOCC[N@@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC000528721422 375908590 /nfs/dbraw/zinc/90/85/90/375908590.db2.gz UGBKIHMPUVOOHO-UHFFFAOYSA-N 1 1 285.309 3.266 20 30 CGEDMO C[C@H](O)C[N@@H+](CC#Cc1ccc(F)cc1)Cc1ccccc1 ZINC000533469710 375954961 /nfs/dbraw/zinc/95/49/61/375954961.db2.gz JTOIWYFVVAOATK-INIZCTEOSA-N 1 1 297.373 3.060 20 30 CGEDMO OCC[N@@H+](CC#Cc1ccc(Cl)cc1)C1CCCCC1 ZINC000535281387 376032400 /nfs/dbraw/zinc/03/24/00/376032400.db2.gz SFKPIALALGYOMN-UHFFFAOYSA-N 1 1 291.822 3.319 20 30 CGEDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000195198607 376088670 /nfs/dbraw/zinc/08/86/70/376088670.db2.gz JMTBNKMASNRUSN-HNNXBMFYSA-N 1 1 278.421 3.401 20 30 CGEDMO C=CCN1CC[C@@H]([N@H+](Cc2ccccc2)[C@H](C)C2CC2)C1=O ZINC000337136176 376092814 /nfs/dbraw/zinc/09/28/14/376092814.db2.gz MWUNFURTWVIZGO-CRAIPNDOSA-N 1 1 298.430 3.074 20 30 CGEDMO CC[C@@]1(C)CC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337169299 376111667 /nfs/dbraw/zinc/11/16/67/376111667.db2.gz DONGGIXGURLQCG-HNNXBMFYSA-N 1 1 264.413 3.209 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2C[C@H](C)C[C@@H]2C)cc1OC ZINC000536659367 376112423 /nfs/dbraw/zinc/11/24/23/376112423.db2.gz YKHNSEOVKBVDKG-KGLIPLIRSA-N 1 1 275.392 3.490 20 30 CGEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H](c2ccccc2)C(C)C)C1=O ZINC000337171802 376113607 /nfs/dbraw/zinc/11/36/07/376113607.db2.gz GBQWFQWNAQWEJO-SJORKVTESA-N 1 1 286.419 3.102 20 30 CGEDMO C=CCN1CC[C@@H]([N@H+](CCC)[C@H]2CCc3ccccc32)C1=O ZINC000337122546 376084099 /nfs/dbraw/zinc/08/40/99/376084099.db2.gz BLXAGKGLEKBGFM-ZWKOTPCHSA-N 1 1 298.430 3.173 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)N(CC)Cc1ccccc1 ZINC000216167266 376158831 /nfs/dbraw/zinc/15/88/31/376158831.db2.gz LRGUWABWDOKGDY-MRXNPFEDSA-N 1 1 288.435 3.322 20 30 CGEDMO C=C(CC)C[N@H+](CC(N)=O)[C@@H](C)c1ccc(CCC)cc1 ZINC000538002757 376217309 /nfs/dbraw/zinc/21/73/09/376217309.db2.gz QBRPLODKTPYLJN-HNNXBMFYSA-N 1 1 288.435 3.454 20 30 CGEDMO CCc1cc(OC)ccc1C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000337495752 376224064 /nfs/dbraw/zinc/22/40/64/376224064.db2.gz IJJWVXKEBDQSNC-XJKSGUPXSA-N 1 1 258.365 3.039 20 30 CGEDMO CCc1cc(OC)ccc1C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000337495751 376224077 /nfs/dbraw/zinc/22/40/77/376224077.db2.gz IJJWVXKEBDQSNC-CZUORRHYSA-N 1 1 258.365 3.039 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000539389576 376307114 /nfs/dbraw/zinc/30/71/14/376307114.db2.gz MWDOCHUIXUJNRX-GJZGRUSLSA-N 1 1 293.455 3.047 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](OCc2ccccc2F)C1 ZINC000338541892 376415379 /nfs/dbraw/zinc/41/53/79/376415379.db2.gz IPUADRDBWMTTDC-OAHLLOKOSA-N 1 1 263.356 3.383 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000338546101 376419916 /nfs/dbraw/zinc/41/99/16/376419916.db2.gz KTESQAKOFHEQPV-KBPBESRZSA-N 1 1 286.202 3.459 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000542252090 376523872 /nfs/dbraw/zinc/52/38/72/376523872.db2.gz GKBIEGVYHVYNDB-ZDUSSCGKSA-N 1 1 272.392 3.435 20 30 CGEDMO C[C@H]([NH2+][C@H]1COc2ccc(F)cc21)c1cccc(C#N)c1 ZINC000334316265 206358136 /nfs/dbraw/zinc/35/81/36/206358136.db2.gz SFZVORZTGLCPJI-ZBEGNZNMSA-N 1 1 282.318 3.482 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000542663486 376566191 /nfs/dbraw/zinc/56/61/91/376566191.db2.gz VNBYETNOQGLMLD-HNNXBMFYSA-N 1 1 264.413 3.207 20 30 CGEDMO C=CC[C@@H](CC)NC(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000543071074 376601277 /nfs/dbraw/zinc/60/12/77/376601277.db2.gz SHCVQQZJZMKIJT-HZPDHXFCSA-N 1 1 295.471 3.151 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@H]1c1ccccc1OC ZINC000338963543 376604179 /nfs/dbraw/zinc/60/41/79/376604179.db2.gz ZRMAVIZLYBSBFY-HNNXBMFYSA-N 1 1 261.365 3.035 20 30 CGEDMO COc1cc(C[N@H+](C)Cc2ccccc2F)ccc1C#N ZINC000234929692 376625171 /nfs/dbraw/zinc/62/51/71/376625171.db2.gz GLEYMEOMRUJVJV-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO COc1cc(C[N@@H+](C)Cc2ccccc2F)ccc1C#N ZINC000234929692 376625175 /nfs/dbraw/zinc/62/51/75/376625175.db2.gz GLEYMEOMRUJVJV-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO COc1cc(C[N@H+]2CC[C@H](C(C)C)C2)ccc1C#N ZINC000234998952 376627605 /nfs/dbraw/zinc/62/76/05/376627605.db2.gz ZQMXKPOSESTADN-HNNXBMFYSA-N 1 1 258.365 3.045 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000544113572 376704944 /nfs/dbraw/zinc/70/49/44/376704944.db2.gz BXZQYXFUKUAAOI-ZDUSSCGKSA-N 1 1 272.392 3.435 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCC(=O)N(CCC#N)CC(C)(C)C ZINC000339274749 376744202 /nfs/dbraw/zinc/74/42/02/376744202.db2.gz LGDLQVBOKILAOC-OAHLLOKOSA-N 1 1 293.455 3.039 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](CC3CC3)C2)c1 ZINC000339673279 376798533 /nfs/dbraw/zinc/79/85/33/376798533.db2.gz GAXLYMAZKDVDHS-CQSZACIVSA-N 1 1 258.340 3.319 20 30 CGEDMO C[N@H+](CC1(C#N)CC1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000553954707 376848175 /nfs/dbraw/zinc/84/81/75/376848175.db2.gz ZKGVPBNIOOIOJQ-CVEARBPZSA-N 1 1 284.403 3.468 20 30 CGEDMO C[N@@H+](CC1(C#N)CC1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000553954707 376848185 /nfs/dbraw/zinc/84/81/85/376848185.db2.gz ZKGVPBNIOOIOJQ-CVEARBPZSA-N 1 1 284.403 3.468 20 30 CGEDMO C=CCOCC[N@@H+]1CC[C@@H](c2ccccc2)C[C@@H]1C ZINC000555501712 376856502 /nfs/dbraw/zinc/85/65/02/376856502.db2.gz LQWNKOWPIMHQEA-DOTOQJQBSA-N 1 1 259.393 3.457 20 30 CGEDMO C=CCOCC[N@@H+]1CC[C@@H](c2ccccc2)C[C@H]1C ZINC000555501713 376856672 /nfs/dbraw/zinc/85/66/72/376856672.db2.gz LQWNKOWPIMHQEA-NVXWUHKLSA-N 1 1 259.393 3.457 20 30 CGEDMO COc1ccc([C@H](C)C[N@@H+](C)CC(C)(C)C#N)cc1 ZINC000556908666 376904175 /nfs/dbraw/zinc/90/41/75/376904175.db2.gz MIFNSCLYUIZITA-CYBMUJFWSA-N 1 1 260.381 3.280 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@H]1Cc1ccccc1OC ZINC000246035532 376957120 /nfs/dbraw/zinc/95/71/20/376957120.db2.gz QMAVUHURHPLCDQ-IRXDYDNUSA-N 1 1 289.419 3.029 20 30 CGEDMO C[C@@H]1C[C@H](N[C@H](CCC#N)c2ccccc2)CC[N@H+]1C ZINC000246374565 377017876 /nfs/dbraw/zinc/01/78/76/377017876.db2.gz JQMIHSWCZRFBMK-DJIMGWMZSA-N 1 1 271.408 3.104 20 30 CGEDMO C[C@@H]1C[C@H]([NH2+][C@H](CCC#N)c2ccccc2)CCN1C ZINC000246374565 377017885 /nfs/dbraw/zinc/01/78/85/377017885.db2.gz JQMIHSWCZRFBMK-DJIMGWMZSA-N 1 1 271.408 3.104 20 30 CGEDMO C[C@H]1C[N@H+](CCCCC#N)C[C@@H](c2ccsc2)O1 ZINC000246402607 377023530 /nfs/dbraw/zinc/02/35/30/377023530.db2.gz IUBDGVPXZNGCSN-JSGCOSHPSA-N 1 1 264.394 3.204 20 30 CGEDMO C[C@H]1C[N@@H+](CCCCC#N)C[C@@H](c2ccsc2)O1 ZINC000246402607 377023535 /nfs/dbraw/zinc/02/35/35/377023535.db2.gz IUBDGVPXZNGCSN-JSGCOSHPSA-N 1 1 264.394 3.204 20 30 CGEDMO CCC[N@@H+](CC)C[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1F ZINC000562907254 377370597 /nfs/dbraw/zinc/37/05/97/377370597.db2.gz LUODHUKKLIHIJJ-KGLIPLIRSA-N 1 1 291.414 3.468 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H]1C ZINC000563216493 377422087 /nfs/dbraw/zinc/42/20/87/377422087.db2.gz KTGCKTMNULURBO-RYUDHWBXSA-N 1 1 273.336 3.087 20 30 CGEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cn1)C1CCCC1 ZINC000563353216 377445855 /nfs/dbraw/zinc/44/58/55/377445855.db2.gz BJAALNNAWXUOTG-UHFFFAOYSA-N 1 1 257.381 3.354 20 30 CGEDMO C=C(CC)C[N@@H+](C[C@H](C)c1ccccc1)[C@@H](C)CO ZINC000563948375 377473949 /nfs/dbraw/zinc/47/39/49/377473949.db2.gz OERLMCJUZLHGMG-HOTGVXAUSA-N 1 1 261.409 3.439 20 30 CGEDMO N#CCc1ccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000565717114 377488998 /nfs/dbraw/zinc/48/89/98/377488998.db2.gz URVDLOKIOXRFEQ-CEXWTWQISA-N 1 1 297.446 3.153 20 30 CGEDMO N#Cc1ccccc1OCC[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000313158572 249087816 /nfs/dbraw/zinc/08/78/16/249087816.db2.gz HKEWIQCEIDWLJF-IYBDPMFKSA-N 1 1 270.376 3.059 20 30 CGEDMO C=CCC[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)c1ccccc1 ZINC000569116452 377526211 /nfs/dbraw/zinc/52/62/11/377526211.db2.gz JKSRDZKHJPYNJN-DOTOQJQBSA-N 1 1 286.419 3.152 20 30 CGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](C)CC1 ZINC000249840049 377535599 /nfs/dbraw/zinc/53/55/99/377535599.db2.gz WAYPLMNBRMQHTJ-UONOGXRCSA-N 1 1 285.391 3.007 20 30 CGEDMO N#CCCC1CC[NH+](Cc2ncc(C3CC3)o2)CC1 ZINC000572874841 377553173 /nfs/dbraw/zinc/55/31/73/377553173.db2.gz RPHBAZAKPZQIHI-UHFFFAOYSA-N 1 1 259.353 3.068 20 30 CGEDMO COc1ccc2c(c1)CCC[N@@H+]([C@H](C)CCC#N)C2 ZINC000573809632 377578586 /nfs/dbraw/zinc/57/85/86/377578586.db2.gz SXIDUFHGUFVXIA-CYBMUJFWSA-N 1 1 258.365 3.136 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253096381 377675942 /nfs/dbraw/zinc/67/59/42/377675942.db2.gz QGSWSRFRRZWTQH-OAGGEKHMSA-N 1 1 251.414 3.358 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)C(=O)N1CCSc2ccccc21 ZINC000342766067 377778123 /nfs/dbraw/zinc/77/81/23/377778123.db2.gz RPABWERBJMUDIS-CYBMUJFWSA-N 1 1 290.432 3.022 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000342719370 377753760 /nfs/dbraw/zinc/75/37/60/377753760.db2.gz IRVSNIUCBPAEMA-UONOGXRCSA-N 1 1 292.448 3.308 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000342758648 377775389 /nfs/dbraw/zinc/77/53/89/377775389.db2.gz VWYIKACFOPUBNN-MSOLQXFVSA-N 1 1 284.403 3.001 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000258920910 377803052 /nfs/dbraw/zinc/80/30/52/377803052.db2.gz NHQIYABJQMBUCU-UHFFFAOYSA-N 1 1 255.148 3.387 20 30 CGEDMO Cc1cc(C[N@H+]2CCc3ccccc3C2)ccc1C#N ZINC000260796781 377810330 /nfs/dbraw/zinc/81/03/30/377810330.db2.gz LCHVIAASNBNIBG-UHFFFAOYSA-N 1 1 262.356 3.425 20 30 CGEDMO C[C@H]([NH2+]CCc1ccc2cn[nH]c2c1)c1cccc(C#N)c1 ZINC000342811159 377810816 /nfs/dbraw/zinc/81/08/16/377810816.db2.gz CLTJFRDBRIACET-ZDUSSCGKSA-N 1 1 290.370 3.328 20 30 CGEDMO CCCCO[C@H]1C[C@H]([N@@H+](C)CC2(C#N)CC2)C1(C)C ZINC000343323303 377953529 /nfs/dbraw/zinc/95/35/29/377953529.db2.gz JFQVQDXGBKRZIE-KBPBESRZSA-N 1 1 264.413 3.206 20 30 CGEDMO CCC[N@@H+](CCC(=O)Nc1sccc1C#N)CC(C)C ZINC000343583086 378027716 /nfs/dbraw/zinc/02/77/16/378027716.db2.gz RRLHLIQIJNWIDP-UHFFFAOYSA-N 1 1 293.436 3.316 20 30 CGEDMO C=CCCCC(=O)N1c2ccc(C)cc2[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000267188229 378032118 /nfs/dbraw/zinc/03/21/18/378032118.db2.gz ZHXIMXLFDOZYBY-SJLPKXTDSA-N 1 1 298.430 3.486 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CC1)c1ccc(F)c(Cl)c1 ZINC000343605998 378037834 /nfs/dbraw/zinc/03/78/34/378037834.db2.gz LPNCXGGPRMAIOM-VIFPVBQESA-N 1 1 252.720 3.433 20 30 CGEDMO CCC[N@@H+](CCCc1nc(C)no1)Cc1ccc(C#N)cc1 ZINC000268642951 378085446 /nfs/dbraw/zinc/08/54/46/378085446.db2.gz HQQPBRPLFUTVEU-UHFFFAOYSA-N 1 1 298.390 3.095 20 30 CGEDMO C[C@@H]([NH2+]CCCC#N)c1nc(C(F)(F)F)cs1 ZINC000343718888 378074293 /nfs/dbraw/zinc/07/42/93/378074293.db2.gz FPQJBQYCSXQFSN-SSDOTTSWSA-N 1 1 263.288 3.116 20 30 CGEDMO C=CCCCC[N@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000577933599 378023695 /nfs/dbraw/zinc/02/36/95/378023695.db2.gz LOZNMJLXOWRCPJ-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=C(CNC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000268820100 378122658 /nfs/dbraw/zinc/12/26/58/378122658.db2.gz LPXJVXTVFHTLOW-UHFFFAOYSA-N 1 1 258.409 3.162 20 30 CGEDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(C#N)cn1 ZINC000579909452 378206936 /nfs/dbraw/zinc/20/69/36/378206936.db2.gz KSCJQBFVHXHDCK-XPKDYRNWSA-N 1 1 255.365 3.106 20 30 CGEDMO C=CCC1(C(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)CCCCC1 ZINC000579375090 378155954 /nfs/dbraw/zinc/15/59/54/378155954.db2.gz XDHSZUXCFRUTFT-JKSUJKDBSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCCC1(C(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)CC1 ZINC000344721106 378177485 /nfs/dbraw/zinc/17/74/85/378177485.db2.gz HOFIAVVGFWALMC-OAHLLOKOSA-N 1 1 290.451 3.066 20 30 CGEDMO N#Cc1ccc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(F)c1 ZINC000269467080 378226237 /nfs/dbraw/zinc/22/62/37/378226237.db2.gz ZFCSWEHROGOAFD-WMLDXEAASA-N 1 1 299.393 3.150 20 30 CGEDMO COc1cc(C[NH2+]CCC#N)ccc1OCc1ccccc1 ZINC000345289470 378245411 /nfs/dbraw/zinc/24/54/11/378245411.db2.gz DAOUSMHFAKSFAH-UHFFFAOYSA-N 1 1 296.370 3.277 20 30 CGEDMO N#Cc1cccc(C2([NH2+]Cc3cccc4c3OCO4)CC2)c1 ZINC000269642748 378247467 /nfs/dbraw/zinc/24/74/67/378247467.db2.gz XXWVSUGFPHOJRO-UHFFFAOYSA-N 1 1 292.338 3.066 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCc2sc(Cl)cc2C1 ZINC000582239284 378295993 /nfs/dbraw/zinc/29/59/93/378295993.db2.gz XBBPXFHWYXLDAP-LLVKDONJSA-N 1 1 271.813 3.087 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCc2sc(Cl)cc2C1 ZINC000582239284 378295999 /nfs/dbraw/zinc/29/59/99/378295999.db2.gz XBBPXFHWYXLDAP-LLVKDONJSA-N 1 1 271.813 3.087 20 30 CGEDMO CCC[C@@H](C)[N@@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000582340770 378305353 /nfs/dbraw/zinc/30/53/53/378305353.db2.gz WTKBESJZNUAIKE-RHSMWYFYSA-N 1 1 299.418 3.174 20 30 CGEDMO N#Cc1ccc(OCC[N@H+]2CC=C(C(F)(F)F)CC2)cc1 ZINC000270317165 378334588 /nfs/dbraw/zinc/33/45/88/378334588.db2.gz QLTSBECKFRSSSJ-UHFFFAOYSA-N 1 1 296.292 3.131 20 30 CGEDMO N#Cc1ccc(OCC[N@@H+]2CC=C(C(F)(F)F)CC2)cc1 ZINC000270317165 378334593 /nfs/dbraw/zinc/33/45/93/378334593.db2.gz QLTSBECKFRSSSJ-UHFFFAOYSA-N 1 1 296.292 3.131 20 30 CGEDMO CO[C@]1(C)C[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1(C)C ZINC000345766582 378364944 /nfs/dbraw/zinc/36/49/44/378364944.db2.gz ZLIOFSPAMVXMIB-DOTOQJQBSA-N 1 1 290.382 3.333 20 30 CGEDMO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1(C)C ZINC000345766582 378364947 /nfs/dbraw/zinc/36/49/47/378364947.db2.gz ZLIOFSPAMVXMIB-DOTOQJQBSA-N 1 1 290.382 3.333 20 30 CGEDMO CCc1cccc2c1OCC[C@@H]2[NH2+]C[C@@H](C#N)CCC#N ZINC000584345975 378378652 /nfs/dbraw/zinc/37/86/52/378378652.db2.gz MMGLMLJPXWDWOD-CJNGLKHVSA-N 1 1 283.375 3.106 20 30 CGEDMO C#CCCC[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000271059647 378443564 /nfs/dbraw/zinc/44/35/64/378443564.db2.gz SEVFPAPIOSWTBJ-JKSUJKDBSA-N 1 1 275.392 3.361 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)o1 ZINC000271121779 378456674 /nfs/dbraw/zinc/45/66/74/378456674.db2.gz FFTGRHDKIUMTAD-VTXSZYRJSA-N 1 1 256.349 3.162 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)c1 ZINC000271125939 378457479 /nfs/dbraw/zinc/45/74/79/378457479.db2.gz MJHKUFMFEGLKCJ-IRXDYDNUSA-N 1 1 273.376 3.005 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)c1 ZINC000271125939 378457485 /nfs/dbraw/zinc/45/74/85/378457485.db2.gz MJHKUFMFEGLKCJ-IRXDYDNUSA-N 1 1 273.376 3.005 20 30 CGEDMO Cc1[nH+]ccn1CCSc1nc2c(cc1C#N)CCCC2 ZINC000270956830 378418323 /nfs/dbraw/zinc/41/83/23/378418323.db2.gz PXVVPFKGHCYRHE-UHFFFAOYSA-N 1 1 298.415 3.129 20 30 CGEDMO C#CCCC[N@H+](C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000271025383 378430599 /nfs/dbraw/zinc/43/05/99/378430599.db2.gz JWXSAMGPVIYNEF-HKUYNNGSSA-N 1 1 284.447 3.385 20 30 CGEDMO C#CC[C@H]([NH2+]Cc1cc(OC)cc(C)n1)c1ccccc1 ZINC000272143253 378571514 /nfs/dbraw/zinc/57/15/14/378571514.db2.gz PDAXBJZNYZPKOR-SFHVURJKSA-N 1 1 280.371 3.253 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)C[C@H](OC)C1CCOCC1 ZINC000637929110 378634989 /nfs/dbraw/zinc/63/49/89/378634989.db2.gz IEDMXYCCLMPWTO-SFHVURJKSA-N 1 1 289.419 3.116 20 30 CGEDMO CC(C)[N@@H+](CCCCC#N)CCN1CCCCCC1 ZINC000347344158 378716025 /nfs/dbraw/zinc/71/60/25/378716025.db2.gz GNZKSTMLIOHYPN-UHFFFAOYSA-N 1 1 265.445 3.267 20 30 CGEDMO CC(C)N(CCCCC#N)CC[NH+]1CCCCCC1 ZINC000347344158 378716027 /nfs/dbraw/zinc/71/60/27/378716027.db2.gz GNZKSTMLIOHYPN-UHFFFAOYSA-N 1 1 265.445 3.267 20 30 CGEDMO C=C(Cl)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000272919084 378722623 /nfs/dbraw/zinc/72/26/23/378722623.db2.gz RKHXXWOMAUKAGR-GDBMZVCRSA-N 1 1 278.827 3.382 20 30 CGEDMO C=CC[N@H+](CCCC(=O)CC)Cc1ccc(OC)cc1 ZINC000347727984 378725011 /nfs/dbraw/zinc/72/50/11/378725011.db2.gz BZMVTYMEMHXJND-UHFFFAOYSA-N 1 1 275.392 3.443 20 30 CGEDMO CC[C@H](CC#N)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000273875457 378760463 /nfs/dbraw/zinc/76/04/63/378760463.db2.gz PMEAMMZAEMWWDK-NXHRZFHOSA-N 1 1 285.435 3.321 20 30 CGEDMO C=CCOCCC[N@@H+]1CCc2c(C)cc(C)cc2C1 ZINC000348112869 378797160 /nfs/dbraw/zinc/79/71/60/378797160.db2.gz GHYWPHLCBRLWRU-UHFFFAOYSA-N 1 1 259.393 3.254 20 30 CGEDMO C=C[C@H](C)[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC000638749753 378898870 /nfs/dbraw/zinc/89/88/70/378898870.db2.gz QCOTZGLSUAHTKW-QMMMGPOBSA-N 1 1 281.153 3.254 20 30 CGEDMO C=C(C)CC[N@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000274801139 378898917 /nfs/dbraw/zinc/89/89/17/378898917.db2.gz QZXKOZRRSVCAJX-UHFFFAOYSA-N 1 1 286.419 3.189 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)CC1CCSCC1 ZINC000638918285 378951580 /nfs/dbraw/zinc/95/15/80/378951580.db2.gz OQOGIIFDVHXRSG-UHFFFAOYSA-N 1 1 265.422 3.453 20 30 CGEDMO CC(C)[N@@H+](Cc1cc(C#N)n(C)c1)Cc1cccc(F)c1 ZINC000276795044 378998249 /nfs/dbraw/zinc/99/82/49/378998249.db2.gz UNCCFQIZSADKIF-UHFFFAOYSA-N 1 1 285.366 3.446 20 30 CGEDMO CCc1ccc([C@@H]2CCC[N@H+]2Cc2cc(C#N)n(C)c2)o1 ZINC000276796792 378999168 /nfs/dbraw/zinc/99/91/68/378999168.db2.gz UUHWXWIIYHKGIB-INIZCTEOSA-N 1 1 283.375 3.389 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)CC1(SC)CC1 ZINC000348636189 379003854 /nfs/dbraw/zinc/00/38/54/379003854.db2.gz PZJLHHXNUZJIKS-UHFFFAOYSA-N 1 1 281.421 3.046 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCc2cc(OC)c(OC)cc21 ZINC000639092539 379014517 /nfs/dbraw/zinc/01/45/17/379014517.db2.gz WKKJILWCCRJERH-AWEZNQCLSA-N 1 1 261.365 3.199 20 30 CGEDMO Cc1cc(C[N@@H+](Cc2cccnc2)C2CC2)ccc1C#N ZINC000349276466 379213625 /nfs/dbraw/zinc/21/36/25/379213625.db2.gz JQSHQMCLLSOVIO-UHFFFAOYSA-N 1 1 277.371 3.426 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCCC12CCC2 ZINC000373098150 379221131 /nfs/dbraw/zinc/22/11/31/379221131.db2.gz IBZLOIDFIBBJGQ-UHFFFAOYSA-N 1 1 256.349 3.085 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@H](CC(F)(F)F)C2)cc1C#N ZINC000278856687 194185105 /nfs/dbraw/zinc/18/51/05/194185105.db2.gz RUKULNHCJZZRPM-GFCCVEGCSA-N 1 1 298.308 3.341 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cccn(C(F)F)c2=O)C1 ZINC000639307948 379258445 /nfs/dbraw/zinc/25/84/45/379258445.db2.gz BEUUBZNUKAZOAA-LBPRGKRZSA-N 1 1 282.334 3.032 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(C(F)F)nc2)C1 ZINC000639346946 379303370 /nfs/dbraw/zinc/30/33/70/379303370.db2.gz GKDCSBFISIQWLA-LLVKDONJSA-N 1 1 252.308 3.417 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cn3ccccc3c2C#N)C[C@H]1C ZINC000347588843 218283665 /nfs/dbraw/zinc/28/36/65/218283665.db2.gz XDWGWAFZVVWLKB-ZIAGYGMSSA-N 1 1 267.376 3.289 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000374001810 379359515 /nfs/dbraw/zinc/35/95/15/379359515.db2.gz IUFDUSDPGNISEW-HNNXBMFYSA-N 1 1 252.317 3.141 20 30 CGEDMO Cc1cc(C)c(C#N)c(N[C@@H]2C[N@H+](C)Cc3ccccc32)n1 ZINC000374337830 379423924 /nfs/dbraw/zinc/42/39/24/379423924.db2.gz AQNWJKVEHPHLNG-QGZVFWFLSA-N 1 1 292.386 3.169 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000375300262 379490215 /nfs/dbraw/zinc/49/02/15/379490215.db2.gz YAHFHHLEWSDLGS-HNNXBMFYSA-N 1 1 264.413 3.207 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCC[C@@]23CCOC3)c1 ZINC000375306229 379491230 /nfs/dbraw/zinc/49/12/30/379491230.db2.gz BTICGVABXUWUMX-KRWDZBQOSA-N 1 1 273.376 3.006 20 30 CGEDMO C[C@H](O)CC[N@@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000266721553 190277381 /nfs/dbraw/zinc/27/73/81/190277381.db2.gz HPVLSAVMRQPEBF-HNNXBMFYSA-N 1 1 294.398 3.428 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000639689915 379547795 /nfs/dbraw/zinc/54/77/95/379547795.db2.gz BNWBLXOCERCDHH-LJQANCHMSA-N 1 1 276.383 3.313 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2ncnn2C(C)C)CCCC1(C)C ZINC000279773358 379511039 /nfs/dbraw/zinc/51/10/39/379511039.db2.gz TULCEVLGKLSFOT-CQSZACIVSA-N 1 1 276.428 3.426 20 30 CGEDMO CC(=O)c1c(C)cc(C)c(C[NH2+][C@H](C)CC#N)c1C ZINC000639726651 379560102 /nfs/dbraw/zinc/56/01/02/379560102.db2.gz ZIOBGKPAUDIYPZ-GFCCVEGCSA-N 1 1 258.365 3.206 20 30 CGEDMO CO[C@@]1(C)CCC[N@@H+](Cc2cn3ccccc3c2C#N)CC1 ZINC000280636813 379751627 /nfs/dbraw/zinc/75/16/27/379751627.db2.gz XWUPYXWWFSUMTF-SFHVURJKSA-N 1 1 297.402 3.202 20 30 CGEDMO Cn1c[nH+]c2cc(NCc3cc(C#N)cs3)ccc21 ZINC000347783626 218355367 /nfs/dbraw/zinc/35/53/67/218355367.db2.gz ZIUTYAIJMUXWCQ-UHFFFAOYSA-N 1 1 268.345 3.119 20 30 CGEDMO CC1(C)C[N@@H+](CCOc2cccc(C#N)c2)[C@H]2CCC[C@H]21 ZINC000378844480 379860335 /nfs/dbraw/zinc/86/03/35/379860335.db2.gz QSQFKZPXFHIKQD-SJORKVTESA-N 1 1 284.403 3.448 20 30 CGEDMO CN(CC#Cc1ccccc1)CCCC[NH+]1CCCCC1 ZINC000640534330 379819268 /nfs/dbraw/zinc/81/92/68/379819268.db2.gz PRYJXJUBOUXKRQ-UHFFFAOYSA-N 1 1 284.447 3.236 20 30 CGEDMO CC[C@@]1(C)CC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000399499601 379941718 /nfs/dbraw/zinc/94/17/18/379941718.db2.gz XKTHCOLOPQCVFY-KRWDZBQOSA-N 1 1 272.392 3.449 20 30 CGEDMO CC[C@H]1C[C@H](C)C[N@H+]1CCOc1cccc(C#N)c1 ZINC000399712178 379943213 /nfs/dbraw/zinc/94/32/13/379943213.db2.gz AXUYRNUNWBMVQJ-ZFWWWQNUSA-N 1 1 258.365 3.057 20 30 CGEDMO CCC[N@H+](CCN1CCCC1)Cc1ccc(C#N)c(C)c1 ZINC000352871990 380015033 /nfs/dbraw/zinc/01/50/33/380015033.db2.gz WHNYARJCANKBGV-UHFFFAOYSA-N 1 1 285.435 3.175 20 30 CGEDMO CCC[N@@H+](CCN1CCCC1)Cc1ccc(C#N)c(C)c1 ZINC000352871990 380015039 /nfs/dbraw/zinc/01/50/39/380015039.db2.gz WHNYARJCANKBGV-UHFFFAOYSA-N 1 1 285.435 3.175 20 30 CGEDMO Cc1cc(C[NH2+]Cc2nc(C#N)cs2)ccc1Cl ZINC000352882049 380018610 /nfs/dbraw/zinc/01/86/10/380018610.db2.gz CCVYUHWTBBYWQC-UHFFFAOYSA-N 1 1 277.780 3.266 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000353027195 380081726 /nfs/dbraw/zinc/08/17/26/380081726.db2.gz MKVYSBWFUMKJEG-DGCLKSJQSA-N 1 1 280.318 3.180 20 30 CGEDMO C=CCN1CC[C@H]([N@H+](CCCC)C2CCCCC2)C1=O ZINC000410340671 380087290 /nfs/dbraw/zinc/08/72/90/380087290.db2.gz ZUDWDHHTVURIEK-INIZCTEOSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CCOc1cccc(C[NH2+][C@H](c2nccn2C)C2CC2)c1 ZINC000353039283 380088608 /nfs/dbraw/zinc/08/86/08/380088608.db2.gz PMMYCWDQFVLATF-KRWDZBQOSA-N 1 1 297.402 3.226 20 30 CGEDMO C[C@H](CCC#N)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000411237086 380135472 /nfs/dbraw/zinc/13/54/72/380135472.db2.gz MSMYMUUAFRZTTL-MRXNPFEDSA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@H](CCC#N)[N@@H+]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000411237086 380135478 /nfs/dbraw/zinc/13/54/78/380135478.db2.gz MSMYMUUAFRZTTL-MRXNPFEDSA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000411237086 380135482 /nfs/dbraw/zinc/13/54/82/380135482.db2.gz MSMYMUUAFRZTTL-MRXNPFEDSA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@@H](O)[C@@H]1CCCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411252038 380135726 /nfs/dbraw/zinc/13/57/26/380135726.db2.gz JBZUTVSXAGYLEL-CABCVRRESA-N 1 1 264.413 3.086 20 30 CGEDMO COC(=O)C[N@H+](CCC1(C#N)CCCCC1)C1CCCC1 ZINC000411341752 380141333 /nfs/dbraw/zinc/14/13/33/380141333.db2.gz DEKWAXXLSALYGN-UHFFFAOYSA-N 1 1 292.423 3.268 20 30 CGEDMO COC(=O)C[N@@H+](CCC1(C#N)CCCCC1)C1CCCC1 ZINC000411341752 380141334 /nfs/dbraw/zinc/14/13/34/380141334.db2.gz DEKWAXXLSALYGN-UHFFFAOYSA-N 1 1 292.423 3.268 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)N[C@@H](C)CC ZINC000411142422 380130792 /nfs/dbraw/zinc/13/07/92/380130792.db2.gz WPFMDXNANVZWET-QWHCGFSZSA-N 1 1 280.437 3.039 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)N[C@@H](C)CC ZINC000411142422 380130798 /nfs/dbraw/zinc/13/07/98/380130798.db2.gz WPFMDXNANVZWET-QWHCGFSZSA-N 1 1 280.437 3.039 20 30 CGEDMO COC1CCC([N@@H+](C)Cc2cc(F)ccc2C#N)CC1 ZINC000268311864 190394793 /nfs/dbraw/zinc/39/47/93/190394793.db2.gz QLJCLJYSFPNBQD-UHFFFAOYSA-N 1 1 276.355 3.087 20 30 CGEDMO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)C1(C)C ZINC000353936140 380243741 /nfs/dbraw/zinc/24/37/41/380243741.db2.gz YKBOPZSDWBOOHA-NVXWUHKLSA-N 1 1 272.392 3.194 20 30 CGEDMO C[N@H+]1CCN(Cc2ccc(C#N)cc2)c2ccccc2C1 ZINC000353587308 380213161 /nfs/dbraw/zinc/21/31/61/380213161.db2.gz HDWXUGQZNDEBAG-UHFFFAOYSA-N 1 1 277.371 3.010 20 30 CGEDMO C=CC[N@H+](Cc1cn(-c2cccc(F)c2)nc1C)C1CC1 ZINC000414426231 380230034 /nfs/dbraw/zinc/23/00/34/380230034.db2.gz BSOHKEIOTKKWKM-UHFFFAOYSA-N 1 1 285.366 3.470 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000354099800 380323316 /nfs/dbraw/zinc/32/33/16/380323316.db2.gz HQHMWNUDENVYQL-SJORKVTESA-N 1 1 287.403 3.110 20 30 CGEDMO COc1cc(C[N@H+](C)CC(C)(C)C#N)ccc1OC(F)F ZINC000354017455 380280551 /nfs/dbraw/zinc/28/05/51/380280551.db2.gz JZDMMDUESOKKNT-UHFFFAOYSA-N 1 1 298.333 3.278 20 30 CGEDMO COc1cc(C[N@@H+](C)CC(C)(C)C#N)ccc1OC(F)F ZINC000354017455 380280557 /nfs/dbraw/zinc/28/05/57/380280557.db2.gz JZDMMDUESOKKNT-UHFFFAOYSA-N 1 1 298.333 3.278 20 30 CGEDMO COc1ccccc1/C=C/C[N@H+](C)CC(C)(C)C#N ZINC000354019459 380281822 /nfs/dbraw/zinc/28/18/22/380281822.db2.gz YPNGYHXQRWLDAJ-VQHVLOKHSA-N 1 1 258.365 3.190 20 30 CGEDMO COc1ccccc1/C=C/C[N@@H+](C)CC(C)(C)C#N ZINC000354019459 380281828 /nfs/dbraw/zinc/28/18/28/380281828.db2.gz YPNGYHXQRWLDAJ-VQHVLOKHSA-N 1 1 258.365 3.190 20 30 CGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000354043069 380296433 /nfs/dbraw/zinc/29/64/33/380296433.db2.gz UTXPIMQKBFULCC-KGLIPLIRSA-N 1 1 299.418 3.253 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000354083471 380312908 /nfs/dbraw/zinc/31/29/08/380312908.db2.gz ODDPGDYPPLECOE-DOTOQJQBSA-N 1 1 287.403 3.110 20 30 CGEDMO Cc1cc(C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)ccc1C#N ZINC000354707263 380532828 /nfs/dbraw/zinc/53/28/28/380532828.db2.gz NMROAAWOSQMJDY-QZTJIDSGSA-N 1 1 282.387 3.010 20 30 CGEDMO Cc1cc(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)ccc1C#N ZINC000354707263 380532833 /nfs/dbraw/zinc/53/28/33/380532833.db2.gz NMROAAWOSQMJDY-QZTJIDSGSA-N 1 1 282.387 3.010 20 30 CGEDMO C=CCC(C)(C)C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000644998085 380561958 /nfs/dbraw/zinc/56/19/58/380561958.db2.gz IRXZKJLUXWNMGW-UHFFFAOYSA-N 1 1 297.402 3.399 20 30 CGEDMO N#Cc1cccc(OCCC[N@H+]2CC[C@@H]3CCC[C@@H]32)c1 ZINC000355100481 380571390 /nfs/dbraw/zinc/57/13/90/380571390.db2.gz HMUAMAOTWZOJCO-RDJZCZTQSA-N 1 1 270.376 3.202 20 30 CGEDMO C=CCOCC[N@H+](C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000645081430 380573437 /nfs/dbraw/zinc/57/34/37/380573437.db2.gz KJRPCCQWUIBRLR-MSOLQXFVSA-N 1 1 289.419 3.289 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)cc1 ZINC000355111163 380578372 /nfs/dbraw/zinc/57/83/72/380578372.db2.gz QWCSMHYFVVMJTE-WMZOPIPTSA-N 1 1 287.403 3.252 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000645100702 380581701 /nfs/dbraw/zinc/58/17/01/380581701.db2.gz AQQNBOJXFRFJJF-CQSZACIVSA-N 1 1 295.810 3.386 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](C2CCCC2)C1 ZINC000420959908 380866189 /nfs/dbraw/zinc/86/61/89/380866189.db2.gz FYDXKWNSXUHZIW-OAHLLOKOSA-N 1 1 299.374 3.479 20 30 CGEDMO CC1(C)[C@H](c2ccccc2)CC[N@H+]1CCOCCC#N ZINC000421021577 380870166 /nfs/dbraw/zinc/87/01/66/380870166.db2.gz SUSCWXOOGBSFJN-INIZCTEOSA-N 1 1 272.392 3.185 20 30 CGEDMO CCCCCCCC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000732035053 572446172 /nfs/dbraw/zinc/44/61/72/572446172.db2.gz KGMOYIWCQBRPOS-OAHLLOKOSA-N 1 1 266.429 3.042 20 30 CGEDMO CC[N@@H+](CCNc1ccc(C#N)c(Cl)c1)C(C)C ZINC000357257710 381084265 /nfs/dbraw/zinc/08/42/65/381084265.db2.gz CDXHENBBDDGBPP-UHFFFAOYSA-N 1 1 265.788 3.354 20 30 CGEDMO C=C(CC)C[N@@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000358511452 381313517 /nfs/dbraw/zinc/31/35/17/381313517.db2.gz RNMXLEMWMWKWSA-OCCSQVGLSA-N 1 1 251.395 3.476 20 30 CGEDMO C=C(CC)C[N@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000358511452 381313524 /nfs/dbraw/zinc/31/35/24/381313524.db2.gz RNMXLEMWMWKWSA-OCCSQVGLSA-N 1 1 251.395 3.476 20 30 CGEDMO C=C(CC)C[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000358624422 381319601 /nfs/dbraw/zinc/31/96/01/381319601.db2.gz KXGVGPGXICWLDQ-UHFFFAOYSA-N 1 1 292.810 3.064 20 30 CGEDMO CC[C@H](C)C[N@@H+](CC)CCOc1ccc(C#N)cc1OC ZINC000361338301 381705863 /nfs/dbraw/zinc/70/58/63/381705863.db2.gz WJCAAFGSVQLBNQ-AWEZNQCLSA-N 1 1 290.407 3.314 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000361369883 381720011 /nfs/dbraw/zinc/72/00/11/381720011.db2.gz NJEUQYAVMLZWLG-GOSISDBHSA-N 1 1 292.382 3.446 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1C[C@H](CC)O[C@]2(CCOC2)C1 ZINC000361509773 381782225 /nfs/dbraw/zinc/78/22/25/381782225.db2.gz WUTDTGDUYBMVKV-HRCADAONSA-N 1 1 267.413 3.001 20 30 CGEDMO CCC1CCC([N@@H+](C)Cc2cc(C#N)n(C)c2)CC1 ZINC000361509082 381780483 /nfs/dbraw/zinc/78/04/83/381780483.db2.gz STANHERKZHNKOF-UHFFFAOYSA-N 1 1 259.397 3.297 20 30 CGEDMO COCC[N@H+](CC#Cc1ccccc1)Cc1cccs1 ZINC000361698207 381864806 /nfs/dbraw/zinc/86/48/06/381864806.db2.gz DOGXGAKHJXBDRZ-UHFFFAOYSA-N 1 1 285.412 3.248 20 30 CGEDMO COCC[N@@H+](CC#Cc1ccccc1)Cc1cccs1 ZINC000361698207 381864809 /nfs/dbraw/zinc/86/48/09/381864809.db2.gz DOGXGAKHJXBDRZ-UHFFFAOYSA-N 1 1 285.412 3.248 20 30 CGEDMO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2cc(C#N)ccc2F)C1(C)C ZINC000362439797 381991646 /nfs/dbraw/zinc/99/16/46/381991646.db2.gz PFINAUFEIDNQBB-DOTOQJQBSA-N 1 1 290.382 3.333 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+](CCO)CC2CCCCC2)c1 ZINC000362596323 382072376 /nfs/dbraw/zinc/07/23/76/382072376.db2.gz LYFYHGJSUWFGSA-UHFFFAOYSA-N 1 1 290.382 3.072 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](O)CC23CCC3)c(Cl)c1 ZINC000334965329 207376482 /nfs/dbraw/zinc/37/64/82/207376482.db2.gz AVDQUKGFXZBFII-CQSZACIVSA-N 1 1 290.794 3.091 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)cc1 ZINC000363408942 382217441 /nfs/dbraw/zinc/21/74/41/382217441.db2.gz JKCYIYXMXXSSLT-GOSISDBHSA-N 1 1 278.355 3.212 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c(F)c1 ZINC000335368924 208295354 /nfs/dbraw/zinc/29/53/54/208295354.db2.gz PKYVAMHDWBKEBS-NVXWUHKLSA-N 1 1 288.366 3.088 20 30 CGEDMO C#CC[N@H+](CCCSC)[C@H]1CCc2ccccc21 ZINC000741754506 572521931 /nfs/dbraw/zinc/52/19/31/572521931.db2.gz RHGCIIGAFQJXSU-INIZCTEOSA-N 1 1 259.418 3.362 20 30 CGEDMO CC[C@H]1C[N@H+]([C@@H](C)c2cccc(C#N)c2)CCCO1 ZINC000281455661 195247246 /nfs/dbraw/zinc/24/72/46/195247246.db2.gz QVLWVKFIYFCBER-BBRMVZONSA-N 1 1 258.365 3.120 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)Cc1cn(C(C)(C)C)nn1 ZINC000191274786 130212672 /nfs/dbraw/zinc/21/26/72/130212672.db2.gz VOOWCGNVECHWSD-UHFFFAOYSA-N 1 1 298.434 3.264 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1cn(C(C)(C)C)nn1 ZINC000191274786 130212676 /nfs/dbraw/zinc/21/26/76/130212676.db2.gz VOOWCGNVECHWSD-UHFFFAOYSA-N 1 1 298.434 3.264 20 30 CGEDMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191385794 130229972 /nfs/dbraw/zinc/22/99/72/130229972.db2.gz MWYZJIWBCSDZFR-CJNGLKHVSA-N 1 1 297.377 3.414 20 30 CGEDMO C[C@H](NCCC[N@@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1 ZINC000019913032 391937813 /nfs/dbraw/zinc/93/78/13/391937813.db2.gz NPVYJKMFOOYPEE-CVEARBPZSA-N 1 1 285.435 3.473 20 30 CGEDMO C[C@H](NCCC[N@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1 ZINC000019913032 391937816 /nfs/dbraw/zinc/93/78/16/391937816.db2.gz NPVYJKMFOOYPEE-CVEARBPZSA-N 1 1 285.435 3.473 20 30 CGEDMO C[C@H]1CCC[C@@H]([N@@H+](C)CCOc2ccccc2C#N)C1 ZINC000048554280 392002806 /nfs/dbraw/zinc/00/28/06/392002806.db2.gz MAFWVWRMLKPWER-GOEBONIOSA-N 1 1 272.392 3.448 20 30 CGEDMO C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000068838157 392168852 /nfs/dbraw/zinc/16/88/52/392168852.db2.gz AXQJJFBGJVADGL-AWEZNQCLSA-N 1 1 285.391 3.009 20 30 CGEDMO C=CC[N@@H+](CCc1ccccn1)Cc1cccc(C#N)c1 ZINC000063300917 392136943 /nfs/dbraw/zinc/13/69/43/392136943.db2.gz OGNDFZOMXCIDCS-UHFFFAOYSA-N 1 1 277.371 3.184 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC3(CCC3)C2)cc1 ZINC000093455936 392237239 /nfs/dbraw/zinc/23/72/39/392237239.db2.gz VVNASTHALIUGJM-UHFFFAOYSA-N 1 1 283.419 3.412 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)CC(C)(C)COC ZINC000426420772 542649794 /nfs/dbraw/zinc/64/97/94/542649794.db2.gz OYSQSFJQMIFVJK-UHFFFAOYSA-N 1 1 272.392 3.219 20 30 CGEDMO CC#CC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000282634108 392294021 /nfs/dbraw/zinc/29/40/21/392294021.db2.gz GBLFMUQTFVLIDE-CQSZACIVSA-N 1 1 270.376 3.023 20 30 CGEDMO C=CCC[C@@H](NC[C@@H]1CC[N@H+](CC)C1)c1ccco1 ZINC000285663528 392329670 /nfs/dbraw/zinc/32/96/70/392329670.db2.gz MYTNDXXKUWGMSS-LSDHHAIUSA-N 1 1 262.397 3.218 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000285822771 392335781 /nfs/dbraw/zinc/33/57/81/392335781.db2.gz GUOAMRRODQWRFP-PMPSAXMXSA-N 1 1 277.795 3.243 20 30 CGEDMO C=CCC[C@H]([NH2+]C1CCN(CC)CC1)c1ccco1 ZINC000285528599 392325313 /nfs/dbraw/zinc/32/53/13/392325313.db2.gz FJIXEOOFHKAJQD-HNNXBMFYSA-N 1 1 262.397 3.361 20 30 CGEDMO C=CCCOCC[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000285977183 392359007 /nfs/dbraw/zinc/35/90/07/392359007.db2.gz GJQBXJKJLGJEGP-AWEZNQCLSA-N 1 1 267.344 3.165 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000285994778 392361282 /nfs/dbraw/zinc/36/12/82/392361282.db2.gz ZWRTVYGOJWMQGW-HNNXBMFYSA-N 1 1 292.423 3.162 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1cccc(C)c1 ZINC000121166474 392411040 /nfs/dbraw/zinc/41/10/40/392411040.db2.gz BPLKOJKKJBZJIO-CQSZACIVSA-N 1 1 260.381 3.220 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@@H]2C)cc1OCCCC#N ZINC000124386131 392433905 /nfs/dbraw/zinc/43/39/05/392433905.db2.gz XWMSNSGFPBTKNO-AWEZNQCLSA-N 1 1 288.391 3.362 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000366096115 392449717 /nfs/dbraw/zinc/44/97/17/392449717.db2.gz QHOBVBNQXJZAOB-OAHLLOKOSA-N 1 1 269.429 3.227 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2ccc(C3CC3)cc2F)o1 ZINC000291812280 392486817 /nfs/dbraw/zinc/48/68/17/392486817.db2.gz YJAXCVBXPRTRIA-UHFFFAOYSA-N 1 1 270.307 3.458 20 30 CGEDMO Cc1[nH+]ccn1-c1ccc(CNc2ccc(C#N)cc2)cn1 ZINC000301062693 392584777 /nfs/dbraw/zinc/58/47/77/392584777.db2.gz DUTQQUCMPFDVFZ-UHFFFAOYSA-N 1 1 289.342 3.060 20 30 CGEDMO CC#CCC[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000374503447 392679981 /nfs/dbraw/zinc/67/99/81/392679981.db2.gz IPOGKBKINRHJLW-LBPRGKRZSA-N 1 1 259.315 3.454 20 30 CGEDMO COC[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000177168666 392659735 /nfs/dbraw/zinc/65/97/35/392659735.db2.gz WOOBZGXUDRWCQP-OAHLLOKOSA-N 1 1 277.795 3.050 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)[C@@H](C)CC)cc1OC ZINC000179324083 392698031 /nfs/dbraw/zinc/69/80/31/392698031.db2.gz XLFWGUKZLSSWCC-ZDUSSCGKSA-N 1 1 263.381 3.490 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCOC[C@@H]1CC(C)C ZINC000186231421 392780306 /nfs/dbraw/zinc/78/03/06/392780306.db2.gz QBHVHSCWHRXSHI-KRWDZBQOSA-N 1 1 272.392 3.114 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+](C)CCC(=O)OC(C)(C)C ZINC000186256729 392780362 /nfs/dbraw/zinc/78/03/62/392780362.db2.gz AAAQXJHCOVZPIX-UHFFFAOYSA-N 1 1 288.391 3.030 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000335241959 392784731 /nfs/dbraw/zinc/78/47/31/392784731.db2.gz UDIUWQUQLYBGAX-PBHICJAKSA-N 1 1 270.376 3.122 20 30 CGEDMO C[C@H](C#N)C[N@H+](Cc1ccc(F)c2cccnc12)C1CC1 ZINC000338345563 392910643 /nfs/dbraw/zinc/91/06/43/392910643.db2.gz FHORTALZWJZSBB-GFCCVEGCSA-N 1 1 283.350 3.498 20 30 CGEDMO C[C@H](C#N)C[N@@H+](Cc1ccc(F)c2cccnc12)C1CC1 ZINC000338345563 392910645 /nfs/dbraw/zinc/91/06/45/392910645.db2.gz FHORTALZWJZSBB-GFCCVEGCSA-N 1 1 283.350 3.498 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000338362105 392912605 /nfs/dbraw/zinc/91/26/05/392912605.db2.gz TWUDQUMANFOYTH-OLZOCXBDSA-N 1 1 291.357 3.368 20 30 CGEDMO C=CCCc1ccccc1NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000516661216 392865975 /nfs/dbraw/zinc/86/59/75/392865975.db2.gz JDWVNVGZXVIILL-UHFFFAOYSA-N 1 1 286.419 3.476 20 30 CGEDMO N#C[C@@H]1CCC[C@H](Nc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000193097878 392870235 /nfs/dbraw/zinc/87/02/35/392870235.db2.gz OPYTYQDPENOCLR-WBVHZDCISA-N 1 1 299.418 3.013 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2snnc2C)CCCC1(C)C ZINC000519643766 392877703 /nfs/dbraw/zinc/87/77/03/392877703.db2.gz CJLRWNQPUJKNTG-CYBMUJFWSA-N 1 1 265.426 3.413 20 30 CGEDMO C=CCCCCC[N@H+](CCNC(C)=O)C1CCSCC1 ZINC000338587264 392921298 /nfs/dbraw/zinc/92/12/98/392921298.db2.gz HOTSPXOQOKJQMF-UHFFFAOYSA-N 1 1 298.496 3.067 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000339033564 392943832 /nfs/dbraw/zinc/94/38/32/392943832.db2.gz ZRMJEVOURQPENU-ZHCJQAHYSA-N 1 1 275.440 3.016 20 30 CGEDMO C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1(C)CCCC1 ZINC000459427126 392944342 /nfs/dbraw/zinc/94/43/42/392944342.db2.gz ACUXASDINZJXNE-UHFFFAOYSA-N 1 1 273.336 3.231 20 30 CGEDMO C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1(C)CCCC1 ZINC000459427126 392944347 /nfs/dbraw/zinc/94/43/47/392944347.db2.gz ACUXASDINZJXNE-UHFFFAOYSA-N 1 1 273.336 3.231 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000739912363 572608043 /nfs/dbraw/zinc/60/80/43/572608043.db2.gz JHGGWYVCYSRBNE-ZIAGYGMSSA-N 1 1 282.428 3.330 20 30 CGEDMO C=CCOCC[N@@H+](C[C@@H]1CCCO1)C1CCC(C)CC1 ZINC000339005907 392939396 /nfs/dbraw/zinc/93/93/96/392939396.db2.gz HAUFARPOLPCTLD-JCYILVPMSA-N 1 1 281.440 3.249 20 30 CGEDMO C[C@H]1CC[N@@H+](CCOCCC#N)[C@@H]1c1cccc(F)c1 ZINC000339011193 392941216 /nfs/dbraw/zinc/94/12/16/392941216.db2.gz QOVIASJPPPSTOP-BBRMVZONSA-N 1 1 276.355 3.139 20 30 CGEDMO CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)CCOCCC#N ZINC000339013043 392941332 /nfs/dbraw/zinc/94/13/32/392941332.db2.gz JYEAVORDXSUNSC-QGZVFWFLSA-N 1 1 292.398 3.255 20 30 CGEDMO C=CCOCC[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000339027702 392941897 /nfs/dbraw/zinc/94/18/97/392941897.db2.gz QCKZUSYJMGQHBS-QGZVFWFLSA-N 1 1 257.377 3.341 20 30 CGEDMO N#Cc1ccc(Cn2cc[nH+]c2C2CC2)c(Cl)c1 ZINC000530130474 392984804 /nfs/dbraw/zinc/98/48/04/392984804.db2.gz SOVBTQSZVXWQJX-UHFFFAOYSA-N 1 1 257.724 3.334 20 30 CGEDMO CO[C@@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C[C@@H]1C ZINC000411786605 392988505 /nfs/dbraw/zinc/98/85/05/392988505.db2.gz CWYMXZNBZGEEQT-LSDHHAIUSA-N 1 1 264.413 3.207 20 30 CGEDMO N#CCc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)cc1 ZINC000411921152 392991099 /nfs/dbraw/zinc/99/10/99/392991099.db2.gz HFVDADQRNWOCGL-MOPGFXCFSA-N 1 1 292.382 3.061 20 30 CGEDMO COC(=O)c1cccc(C[N@@H+](CC(C)C)C(C)C)c1C#N ZINC000533778194 392998580 /nfs/dbraw/zinc/99/85/80/392998580.db2.gz QUVDMSTYLDUJGH-UHFFFAOYSA-N 1 1 288.391 3.211 20 30 CGEDMO COC(=O)c1cccc(C[N@@H+](C)[C@H](C)C(C)(C)C)c1C#N ZINC000534490765 392999272 /nfs/dbraw/zinc/99/92/72/392999272.db2.gz NUQCLJRWSYYYBM-GFCCVEGCSA-N 1 1 288.391 3.211 20 30 CGEDMO CSCC[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000219526502 393001898 /nfs/dbraw/zinc/00/18/98/393001898.db2.gz QHHGLHNIJQJFHK-NSHDSACASA-N 1 1 266.385 3.271 20 30 CGEDMO C=CCOc1ccc(CNc2cc[nH+]cc2Cl)cc1 ZINC000343223735 393023070 /nfs/dbraw/zinc/02/30/70/393023070.db2.gz IUNVTTIJVKKVFJ-UHFFFAOYSA-N 1 1 274.751 3.334 20 30 CGEDMO Cc1ccc(CC[N@H+](C[C@H]2CCCO2)CC2(C#N)CC2)cc1 ZINC000343314028 393024139 /nfs/dbraw/zinc/02/41/39/393024139.db2.gz LYHZLLPMPQYBSZ-GOSISDBHSA-N 1 1 298.430 3.322 20 30 CGEDMO Cc1ccc(CC[N@@H+](C[C@H]2CCCO2)CC2(C#N)CC2)cc1 ZINC000343314028 393024145 /nfs/dbraw/zinc/02/41/45/393024145.db2.gz LYHZLLPMPQYBSZ-GOSISDBHSA-N 1 1 298.430 3.322 20 30 CGEDMO CN(C)c1cccc([C@H]2CCC[N@H+]2CC2(C#N)CC2)c1 ZINC000343318197 393026461 /nfs/dbraw/zinc/02/64/61/393026461.db2.gz XFHMLXNOVCEIER-MRXNPFEDSA-N 1 1 269.392 3.193 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCCc2ccccc2C1 ZINC000346216505 393080423 /nfs/dbraw/zinc/08/04/23/393080423.db2.gz SLDMYWPULOSOIO-MRXNPFEDSA-N 1 1 298.430 3.024 20 30 CGEDMO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]CC1(C#N)CC1 ZINC000351201577 393166784 /nfs/dbraw/zinc/16/67/84/393166784.db2.gz KPTSYOWAUZKHDN-BXUZGUMPSA-N 1 1 278.783 3.309 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)CC1(C)CCC1 ZINC000348638495 393127159 /nfs/dbraw/zinc/12/71/59/393127159.db2.gz BRWMGSFHFCDALK-UHFFFAOYSA-N 1 1 263.381 3.340 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccc(C)o1)Cc1ccc(CO)o1 ZINC000348635431 393127691 /nfs/dbraw/zinc/12/76/91/393127691.db2.gz OCEFSWIXSLPOEE-UHFFFAOYSA-N 1 1 275.348 3.252 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(C)o1)Cc1ccc(CO)o1 ZINC000348635431 393127695 /nfs/dbraw/zinc/12/76/95/393127695.db2.gz OCEFSWIXSLPOEE-UHFFFAOYSA-N 1 1 275.348 3.252 20 30 CGEDMO C=CCOc1cccc(NC(=O)[C@H]2CCC[N@@H+]2CCC)c1 ZINC000349147883 393138698 /nfs/dbraw/zinc/13/86/98/393138698.db2.gz ZFNAIRXBNAMLLG-MRXNPFEDSA-N 1 1 288.391 3.064 20 30 CGEDMO Clc1ccc(C#CC[N@@H+]2CCOCC3(CCC3)C2)cc1 ZINC000353637413 393227030 /nfs/dbraw/zinc/22/70/30/393227030.db2.gz PZGHMBRFZAVUHG-UHFFFAOYSA-N 1 1 289.806 3.194 20 30 CGEDMO Clc1ccc(C#CC[N@H+]2CCOCC3(CCC3)C2)cc1 ZINC000353637413 393227034 /nfs/dbraw/zinc/22/70/34/393227034.db2.gz PZGHMBRFZAVUHG-UHFFFAOYSA-N 1 1 289.806 3.194 20 30 CGEDMO N#CC1(C[NH2+]Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000569062633 393195911 /nfs/dbraw/zinc/19/59/11/393195911.db2.gz ACAFFGPFSQAPLC-UHFFFAOYSA-N 1 1 293.370 3.054 20 30 CGEDMO CC[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(OC)cc1 ZINC000352836414 393211369 /nfs/dbraw/zinc/21/13/69/393211369.db2.gz TXGKXJPSXIOFGF-CQSZACIVSA-N 1 1 287.388 3.264 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)cc1 ZINC000280911243 393345051 /nfs/dbraw/zinc/34/50/51/393345051.db2.gz FSJJSPVTABRNIX-GUDVDZBRSA-N 1 1 298.430 3.464 20 30 CGEDMO C=CC[N@@H+](CCOCC1CCC1)Cc1cccc(C#N)c1 ZINC000419201288 393365190 /nfs/dbraw/zinc/36/51/90/393365190.db2.gz XWFQMMBYZMUYAU-UHFFFAOYSA-N 1 1 284.403 3.363 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000649407715 393414277 /nfs/dbraw/zinc/41/42/77/393414277.db2.gz JIMNHSSWUNOMAH-HOTGVXAUSA-N 1 1 251.414 3.481 20 30 CGEDMO C=CC[N@H+](CCc1cncc(C)n1)Cc1cccs1 ZINC000649475695 393442188 /nfs/dbraw/zinc/44/21/88/393442188.db2.gz KPWCISSBOYGWBS-UHFFFAOYSA-N 1 1 273.405 3.077 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)ccc1C#N ZINC000488079050 393454529 /nfs/dbraw/zinc/45/45/29/393454529.db2.gz KBYGDVWGSAYWKU-GOSISDBHSA-N 1 1 284.403 3.258 20 30 CGEDMO C[C@H]1CC[C@H]([N@@H+](C)Cc2cn3ccccc3c2C#N)C1 ZINC000429561276 393479370 /nfs/dbraw/zinc/47/93/70/393479370.db2.gz QFTXCRMWIOUFFF-ZFWWWQNUSA-N 1 1 267.376 3.431 20 30 CGEDMO C[C@@H]1CC[C@H]([N@@H+](C)Cc2cn3ccccc3c2C#N)C1 ZINC000429561274 393479421 /nfs/dbraw/zinc/47/94/21/393479421.db2.gz QFTXCRMWIOUFFF-HIFRSBDPSA-N 1 1 267.376 3.431 20 30 CGEDMO N#Cc1csc(C[N@@H+](CC2CC2)CC2CCC2)n1 ZINC000356297535 393411850 /nfs/dbraw/zinc/41/18/50/393411850.db2.gz PAXSKSCFOPJJRA-UHFFFAOYSA-N 1 1 261.394 3.027 20 30 CGEDMO Cc1cc(C[N@H+](C)[C@H](CCO)c2ccccc2)ccc1C#N ZINC000488415295 393504513 /nfs/dbraw/zinc/50/45/13/393504513.db2.gz AFURVGDZSHEZOP-LJQANCHMSA-N 1 1 294.398 3.422 20 30 CGEDMO C=CC[C@@H]1[N@H+](Cc2cc3n(n2)CCC3)CCCC1(C)C ZINC000649594088 393506359 /nfs/dbraw/zinc/50/63/59/393506359.db2.gz NNDIEHFLQKVGBN-INIZCTEOSA-N 1 1 273.424 3.396 20 30 CGEDMO C=CCOCC[N@H+](C)[C@@H](C)CSc1ccccc1 ZINC000649666374 393535550 /nfs/dbraw/zinc/53/55/50/393535550.db2.gz PMCOJGGJIHJSNB-AWEZNQCLSA-N 1 1 265.422 3.302 20 30 CGEDMO FC1(F)C(F)(F)C12CC[NH+](CC#Cc1ccccc1)CC2 ZINC000649709579 393552005 /nfs/dbraw/zinc/55/20/05/393552005.db2.gz RFINLVHKVQCJGX-UHFFFAOYSA-N 1 1 297.295 3.405 20 30 CGEDMO CC[C@@H]1COC(C)(C)C[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000649716802 393554528 /nfs/dbraw/zinc/55/45/28/393554528.db2.gz OFWUXCQGCFYODC-MRXNPFEDSA-N 1 1 275.367 3.067 20 30 CGEDMO CC[C@@H]1COC(C)(C)C[N@H+]1CC#Cc1ccc(F)cc1 ZINC000649716802 393554533 /nfs/dbraw/zinc/55/45/33/393554533.db2.gz OFWUXCQGCFYODC-MRXNPFEDSA-N 1 1 275.367 3.067 20 30 CGEDMO Cc1cc(C[N@H+]2CCS[C@@H](C)CC2)ccc1C#N ZINC000489032479 393572652 /nfs/dbraw/zinc/57/26/52/393572652.db2.gz ARTCGEKRWMGJEH-ZDUSSCGKSA-N 1 1 260.406 3.194 20 30 CGEDMO C[N@H+](Cc1cccc(F)c1C#N)C1CC(OC(C)(C)C)C1 ZINC000421015459 393576668 /nfs/dbraw/zinc/57/66/68/393576668.db2.gz SYUUOIBDXPLICE-UHFFFAOYSA-N 1 1 290.382 3.475 20 30 CGEDMO C[N@@H+](Cc1cccc(F)c1C#N)C1CC(OC(C)(C)C)C1 ZINC000421015459 393576673 /nfs/dbraw/zinc/57/66/73/393576673.db2.gz SYUUOIBDXPLICE-UHFFFAOYSA-N 1 1 290.382 3.475 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](C)C1(C)CCCC1 ZINC000489876426 393619211 /nfs/dbraw/zinc/61/92/11/393619211.db2.gz QNCFKTDNLZWMLY-UHFFFAOYSA-N 1 1 258.365 3.331 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+](CC)C[C@H](C)OC ZINC000361016856 393643305 /nfs/dbraw/zinc/64/33/05/393643305.db2.gz JUYRGHOFHLSQGA-AWEZNQCLSA-N 1 1 263.381 3.108 20 30 CGEDMO C[C@@H]1C[C@@H](N[C@H]2CCCCc3cc(C#N)ccc32)CC[NH2+]1 ZINC000423393544 393665194 /nfs/dbraw/zinc/66/51/94/393665194.db2.gz YSHMJTJHBWBREA-SKDZVZGDSA-N 1 1 283.419 3.056 20 30 CGEDMO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CCCCC#N)C1 ZINC000491098528 393665230 /nfs/dbraw/zinc/66/52/30/393665230.db2.gz PVUVRMPOVBYXQD-CQSZACIVSA-N 1 1 295.427 3.012 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)Cc1cccnc1C ZINC000491523306 393695325 /nfs/dbraw/zinc/69/53/25/393695325.db2.gz CZQBTKGBODLSFB-UHFFFAOYSA-N 1 1 250.345 3.025 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1cccnc1C ZINC000491523306 393695328 /nfs/dbraw/zinc/69/53/28/393695328.db2.gz CZQBTKGBODLSFB-UHFFFAOYSA-N 1 1 250.345 3.025 20 30 CGEDMO Cc1cc(CNCCC[N@@H+]2CCCC[C@@H]2C)ccc1C#N ZINC000443988948 393780250 /nfs/dbraw/zinc/78/02/50/393780250.db2.gz PWBLTGWCDCFIIN-INIZCTEOSA-N 1 1 285.435 3.221 20 30 CGEDMO C=CC[C@@H]1CCCN(C(=O)Nc2cc(C)c3[nH+]ccn3c2)C1 ZINC000667148277 542847985 /nfs/dbraw/zinc/84/79/85/542847985.db2.gz VHBPQOVMQKMKAD-CQSZACIVSA-N 1 1 298.390 3.463 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccc(O[C@@H](C)COC)cc1 ZINC000667656611 542908418 /nfs/dbraw/zinc/90/84/18/542908418.db2.gz MOYWLDJOFDTROG-HNNXBMFYSA-N 1 1 277.408 3.498 20 30 CGEDMO C=CC[N@H+](Cc1ccc(O[C@H](C)COC)cc1)C1CC1 ZINC000667982821 542953082 /nfs/dbraw/zinc/95/30/82/542953082.db2.gz RHAKEZOKCUBJOY-CQSZACIVSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2cccc3nccn32)C1 ZINC000668493676 543020023 /nfs/dbraw/zinc/02/00/23/543020023.db2.gz QHENEVVLGUTHOG-CQSZACIVSA-N 1 1 255.365 3.122 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2cnc(C3CC3)nc2)C1 ZINC000668494384 543020421 /nfs/dbraw/zinc/02/04/21/543020421.db2.gz YMMBFDXBACUZDQ-ZDUSSCGKSA-N 1 1 257.381 3.142 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)CC2=CCSC2)cc1 ZINC000668775730 543060610 /nfs/dbraw/zinc/06/06/10/543060610.db2.gz OLDFNYKUKNUBDL-UHFFFAOYSA-N 1 1 275.417 3.356 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000672578682 543217709 /nfs/dbraw/zinc/21/77/09/543217709.db2.gz VNKUMWNEPSOZKR-WCQYABFASA-N 1 1 251.395 3.068 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+]1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000677048482 543428070 /nfs/dbraw/zinc/42/80/70/543428070.db2.gz YUTCZBFWBBUXIS-UXLLHSPISA-N 1 1 259.393 3.110 20 30 CGEDMO COCC#CC[N@H+]1CCCC[C@H]1c1ccc(C)cc1 ZINC000677816880 543467164 /nfs/dbraw/zinc/46/71/64/543467164.db2.gz CELUYMOLXCLFGW-KRWDZBQOSA-N 1 1 257.377 3.172 20 30 CGEDMO C[C@@H]1CCCCC[N@H+]1CCOc1ccccc1C#N ZINC000070409567 165057907 /nfs/dbraw/zinc/05/79/07/165057907.db2.gz ZEYBFFVWVUNRFG-CQSZACIVSA-N 1 1 258.365 3.202 20 30 CGEDMO CC[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000079341409 165144633 /nfs/dbraw/zinc/14/46/33/165144633.db2.gz HBCSFJSHHDPSKY-YOEHRIQHSA-N 1 1 272.392 3.104 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@H](C)CC2)cc1C#N ZINC000087833412 165188802 /nfs/dbraw/zinc/18/88/02/165188802.db2.gz IBQNINPJDIOMFK-ZDUSSCGKSA-N 1 1 258.365 3.189 20 30 CGEDMO COc1ccc(C[N@@H+]2CCc3sccc3C2)cc1C#N ZINC000087833090 165189591 /nfs/dbraw/zinc/18/95/91/165189591.db2.gz HDDPAGDNLIACAL-UHFFFAOYSA-N 1 1 284.384 3.187 20 30 CGEDMO COc1ccc(C[N@H+]2CCc3sccc3C2)cc1C#N ZINC000087833090 165189594 /nfs/dbraw/zinc/18/95/94/165189594.db2.gz HDDPAGDNLIACAL-UHFFFAOYSA-N 1 1 284.384 3.187 20 30 CGEDMO CC[C@@H](CSC)[N@@H+](C)Cc1ccc(C#N)cc1OC ZINC000091098629 165257326 /nfs/dbraw/zinc/25/73/26/165257326.db2.gz FOIOYAICJSSXJJ-AWEZNQCLSA-N 1 1 278.421 3.140 20 30 CGEDMO CC[C@H](CSC)[N@@H+](C)Cc1cn2ccccc2c1C#N ZINC000091098081 165258420 /nfs/dbraw/zinc/25/84/20/165258420.db2.gz OTPQWOCYJQVXKY-CQSZACIVSA-N 1 1 287.432 3.384 20 30 CGEDMO C[C@@H](c1ccco1)[N@H+](Cc1ccc(C#N)o1)C1CC1 ZINC000092483633 165297618 /nfs/dbraw/zinc/29/76/18/165297618.db2.gz TZWCBGZTUUHUEW-NSHDSACASA-N 1 1 256.305 3.470 20 30 CGEDMO C[C@@H](c1ccco1)[N@@H+](Cc1ccc(C#N)o1)C1CC1 ZINC000092483633 165297623 /nfs/dbraw/zinc/29/76/23/165297623.db2.gz TZWCBGZTUUHUEW-NSHDSACASA-N 1 1 256.305 3.470 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)o1 ZINC000093048684 165321402 /nfs/dbraw/zinc/32/14/02/165321402.db2.gz DWTQDNOQGJTQBD-HNNXBMFYSA-N 1 1 296.326 3.217 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)o1 ZINC000093048684 165321406 /nfs/dbraw/zinc/32/14/06/165321406.db2.gz DWTQDNOQGJTQBD-HNNXBMFYSA-N 1 1 296.326 3.217 20 30 CGEDMO COc1ccc(C[N@@H+](Cc2ccncc2)C2CC2)cc1C#N ZINC000093221872 165324258 /nfs/dbraw/zinc/32/42/58/165324258.db2.gz GIWCJBRWUKVTNL-UHFFFAOYSA-N 1 1 293.370 3.126 20 30 CGEDMO CC[N@@H+](C[C@H](O)C(C)(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000284257033 196013471 /nfs/dbraw/zinc/01/34/71/196013471.db2.gz LVZFCOBUPIRWIB-CJNGLKHVSA-N 1 1 274.408 3.348 20 30 CGEDMO C[N@H+](Cc1nc2ccccc2o1)Cc1cccc(C#N)c1 ZINC000026326159 171479507 /nfs/dbraw/zinc/47/95/07/171479507.db2.gz ZGAGBVHGWQZXQO-UHFFFAOYSA-N 1 1 277.327 3.331 20 30 CGEDMO C[N@@H+](Cc1nc2ccccc2o1)Cc1cccc(C#N)c1 ZINC000026326159 171479508 /nfs/dbraw/zinc/47/95/08/171479508.db2.gz ZGAGBVHGWQZXQO-UHFFFAOYSA-N 1 1 277.327 3.331 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000284989613 196172159 /nfs/dbraw/zinc/17/21/59/196172159.db2.gz YIDAQWMVZPPEMF-HZPDHXFCSA-N 1 1 290.794 3.355 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000284989613 196172161 /nfs/dbraw/zinc/17/21/61/196172161.db2.gz YIDAQWMVZPPEMF-HZPDHXFCSA-N 1 1 290.794 3.355 20 30 CGEDMO CCOC1CC2(C1)CC[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC000285422824 196280258 /nfs/dbraw/zinc/28/02/58/196280258.db2.gz GSIBKRIOTYXSOR-UHFFFAOYSA-N 1 1 288.366 3.088 20 30 CGEDMO CCOC1CC2(C1)CC[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC000285422824 196280259 /nfs/dbraw/zinc/28/02/59/196280259.db2.gz GSIBKRIOTYXSOR-UHFFFAOYSA-N 1 1 288.366 3.088 20 30 CGEDMO CC(=O)Nc1ccc(C[N@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000127294554 287284617 /nfs/dbraw/zinc/28/46/17/287284617.db2.gz INYFJWBCPJDQSL-UHFFFAOYSA-N 1 1 293.370 3.149 20 30 CGEDMO CC(C)CC[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000077211608 177235155 /nfs/dbraw/zinc/23/51/55/177235155.db2.gz MYTJIZWKFPKXOS-UHFFFAOYSA-N 1 1 293.798 3.128 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)N[C@H](C)c1ccc(C)c(C)c1 ZINC000048617466 416456744 /nfs/dbraw/zinc/45/67/44/416456744.db2.gz GOYBCVJONYYUKD-MRXNPFEDSA-N 1 1 288.435 3.379 20 30 CGEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CC=CCC2)cc1 ZINC000679322925 543618233 /nfs/dbraw/zinc/61/82/33/543618233.db2.gz DIHDVUAJUDYHKV-UHFFFAOYSA-N 1 1 265.278 3.319 20 30 CGEDMO FC(F)(F)c1ccc(C#CC[N@@H+]2CC=CCC2)cc1 ZINC000679322925 543618235 /nfs/dbraw/zinc/61/82/35/543618235.db2.gz DIHDVUAJUDYHKV-UHFFFAOYSA-N 1 1 265.278 3.319 20 30 CGEDMO N#CCC[C@H]([NH2+]Cc1cncc(F)c1)c1ccccc1 ZINC000346968272 225974351 /nfs/dbraw/zinc/97/43/51/225974351.db2.gz PLNVEODQKAZMFT-INIZCTEOSA-N 1 1 269.323 3.355 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000684620986 544021373 /nfs/dbraw/zinc/02/13/73/544021373.db2.gz RZAUDEMQVSOYGQ-INIZCTEOSA-N 1 1 277.795 3.366 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O ZINC000659947034 419042426 /nfs/dbraw/zinc/04/24/26/419042426.db2.gz LKLBQCGJQYRLNB-HRCADAONSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654519897 418981527 /nfs/dbraw/zinc/98/15/27/418981527.db2.gz OPXFGIKULCLRNZ-HRCADAONSA-N 1 1 293.455 3.047 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CC[C@@H](c3ccccc3)[C@@H]2C)nn1 ZINC000653567498 419051280 /nfs/dbraw/zinc/05/12/80/419051280.db2.gz LPGSIPWHSWLYLR-MAUKXSAKSA-N 1 1 296.418 3.232 20 30 CGEDMO C=CC[N@H+](CCCc1c(F)cccc1F)CCOC ZINC000653638448 419063283 /nfs/dbraw/zinc/06/32/83/419063283.db2.gz YWVMGIZBWANOHU-UHFFFAOYSA-N 1 1 269.335 3.032 20 30 CGEDMO C=CCCn1cc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)nn1 ZINC000653700008 419072973 /nfs/dbraw/zinc/07/29/73/419072973.db2.gz HNCBYOUFODZERH-QGZVFWFLSA-N 1 1 296.418 3.234 20 30 CGEDMO C=CCOc1cccc(C[NH+]2CC3(CC3(F)F)C2)c1 ZINC000656266344 419160822 /nfs/dbraw/zinc/16/08/22/419160822.db2.gz FEGFIBLYCAZDQB-UHFFFAOYSA-N 1 1 265.303 3.092 20 30 CGEDMO C=CCCC[C@H](C)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660661055 419176281 /nfs/dbraw/zinc/17/62/81/419176281.db2.gz BLWUSBHNJAXHTC-JKSUJKDBSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CCCC[C@H](C)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660661055 419176284 /nfs/dbraw/zinc/17/62/84/419176284.db2.gz BLWUSBHNJAXHTC-JKSUJKDBSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000660661055 419176287 /nfs/dbraw/zinc/17/62/87/419176287.db2.gz BLWUSBHNJAXHTC-JKSUJKDBSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000660661055 419176289 /nfs/dbraw/zinc/17/62/89/419176289.db2.gz BLWUSBHNJAXHTC-JKSUJKDBSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1SC)[C@@H](C)COC ZINC000661239521 419243641 /nfs/dbraw/zinc/24/36/41/419243641.db2.gz HPEXLPKMFLJYHA-ZDUSSCGKSA-N 1 1 265.422 3.431 20 30 CGEDMO C=CC[N@H+](CCCc1ccccc1OC)[C@H](C)COC ZINC000661241362 419244060 /nfs/dbraw/zinc/24/40/60/419244060.db2.gz WNMODMSWUGMDLC-OAHLLOKOSA-N 1 1 277.408 3.151 20 30 CGEDMO C=CC[N@H+](CC#Cc1ccccc1Cl)[C@H](C)COC ZINC000661242643 419244321 /nfs/dbraw/zinc/24/43/21/419244321.db2.gz RKQNUZXDYUCILA-CQSZACIVSA-N 1 1 277.795 3.214 20 30 CGEDMO C=CC[N@@H+](CC#Cc1ccccc1Cl)[C@H](C)COC ZINC000661242643 419244323 /nfs/dbraw/zinc/24/43/23/419244323.db2.gz RKQNUZXDYUCILA-CQSZACIVSA-N 1 1 277.795 3.214 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(-c2ccccn2)nc1)[C@H](C)COC ZINC000661241088 419244385 /nfs/dbraw/zinc/24/43/85/419244385.db2.gz WTKDLQFBOQFRHW-OAHLLOKOSA-N 1 1 297.402 3.167 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2CC)C1 ZINC000661376912 419255127 /nfs/dbraw/zinc/25/51/27/419255127.db2.gz GQHWAGMKHLVGQZ-HNNXBMFYSA-N 1 1 286.419 3.476 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cccc(NC(C)=O)c2)C1 ZINC000661378453 419255153 /nfs/dbraw/zinc/25/51/53/419255153.db2.gz GUVBBIFTTOWDQV-HNNXBMFYSA-N 1 1 272.392 3.433 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@@H](C)c2nnnn2-c2ccccc2)C1 ZINC000661379155 419256215 /nfs/dbraw/zinc/25/62/15/419256215.db2.gz VFZABCHZLSIIBT-GJZGRUSLSA-N 1 1 297.406 3.011 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2cnc3ccccc3n2)C1 ZINC000661386697 419257059 /nfs/dbraw/zinc/25/70/59/419257059.db2.gz UOVSAFSALZZUCT-AWEZNQCLSA-N 1 1 267.376 3.418 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@H]2CCCc3ccc(C)cc32)nn1 ZINC000657466997 419284925 /nfs/dbraw/zinc/28/49/25/419284925.db2.gz USWNJZMMLFKTKB-SFHVURJKSA-N 1 1 296.418 3.330 20 30 CGEDMO C=CC[N@@H+](CC(=O)N(C1CC1)C1CCCC1)C(C)(C)C ZINC000661756425 419295003 /nfs/dbraw/zinc/29/50/03/419295003.db2.gz OMYAWRHTAYYVQF-UHFFFAOYSA-N 1 1 278.440 3.207 20 30 CGEDMO CCC#C[C@H](C)[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000662049952 419329485 /nfs/dbraw/zinc/32/94/85/419329485.db2.gz DDHJAOQQZOQORH-GXFFZTMASA-N 1 1 286.202 3.418 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(CC)C1CCCCC1 ZINC000662077600 419332538 /nfs/dbraw/zinc/33/25/38/419332538.db2.gz CVCHUJZWYBYTGO-CALCHBBNSA-N 1 1 290.451 3.351 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)N(C)c1ccccc1 ZINC000662082940 419333431 /nfs/dbraw/zinc/33/34/31/419333431.db2.gz YPFAEWYNRBUDMZ-BHYGNILZSA-N 1 1 284.403 3.221 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)Nc1cccc(F)c1 ZINC000662081353 419333929 /nfs/dbraw/zinc/33/39/29/419333929.db2.gz VYVTXJXDQNMHEZ-WQVCFCJDSA-N 1 1 288.366 3.336 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1noc(-c2cncc(C)c2)n1 ZINC000662089267 419334807 /nfs/dbraw/zinc/33/48/07/419334807.db2.gz WPGHNBNGVBIERL-GASCZTMLSA-N 1 1 296.374 3.123 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1noc(-c2cncc(C)c2)n1 ZINC000662089267 419334809 /nfs/dbraw/zinc/33/48/09/419334809.db2.gz WPGHNBNGVBIERL-GASCZTMLSA-N 1 1 296.374 3.123 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CN(c2ccccc2)CCO1 ZINC000662089017 419334842 /nfs/dbraw/zinc/33/48/42/419334842.db2.gz QWUAGRDHNWTYCQ-OTWHNJEPSA-N 1 1 298.430 3.075 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1ccccc1C(C)=O ZINC000662085879 419335070 /nfs/dbraw/zinc/33/50/70/419335070.db2.gz LQHYZSZKAGWUIH-GASCZTMLSA-N 1 1 298.386 3.011 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccccc1C(C)=O ZINC000662085879 419335072 /nfs/dbraw/zinc/33/50/72/419335072.db2.gz LQHYZSZKAGWUIH-GASCZTMLSA-N 1 1 298.386 3.011 20 30 CGEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@H]2C2CCC2)c1 ZINC000333026581 228187863 /nfs/dbraw/zinc/18/78/63/228187863.db2.gz GNJBQWRWQRLHPF-KRWDZBQOSA-N 1 1 297.402 3.151 20 30 CGEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@@H]2C2CCC2)c1 ZINC000333026583 228187911 /nfs/dbraw/zinc/18/79/11/228187911.db2.gz GNJBQWRWQRLHPF-QGZVFWFLSA-N 1 1 297.402 3.151 20 30 CGEDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000745948638 572841817 /nfs/dbraw/zinc/84/18/17/572841817.db2.gz OJEGMPFDWITATF-ZFWWWQNUSA-N 1 1 258.365 3.209 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000188534866 260153874 /nfs/dbraw/zinc/15/38/74/260153874.db2.gz ATWJUNADYDDRSV-QGZVFWFLSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+](CC[C@H]1CCCO1)Cc1cccs1 ZINC000188592354 260160902 /nfs/dbraw/zinc/16/09/02/260160902.db2.gz GQYRSSUFLIQSEH-CYBMUJFWSA-N 1 1 251.395 3.305 20 30 CGEDMO C=CC[N@H+](CC1CCCCC1)[C@H](C)c1nc(COC)no1 ZINC000299230179 260175432 /nfs/dbraw/zinc/17/54/32/260175432.db2.gz JGDDZXMJUUWBSD-CYBMUJFWSA-N 1 1 293.411 3.345 20 30 CGEDMO C=CC[N@@H+](CC1CCCCC1)[C@H](C)c1nc(COC)no1 ZINC000299230179 260175433 /nfs/dbraw/zinc/17/54/33/260175433.db2.gz JGDDZXMJUUWBSD-CYBMUJFWSA-N 1 1 293.411 3.345 20 30 CGEDMO C[C@H]([NH2+]CC(=O)Nc1nncs1)c1ccccc1Cl ZINC000048554041 260200384 /nfs/dbraw/zinc/20/03/84/260200384.db2.gz NLSBRSAFTDTYMH-QMMMGPOBSA-N 1 1 296.783 3.130 20 30 CGEDMO C=CCCCCCN(C)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363418216 260255856 /nfs/dbraw/zinc/25/58/56/260255856.db2.gz NRWVMOBTMFMIHL-HOTGVXAUSA-N 1 1 293.455 3.001 20 30 CGEDMO C[C@@H](CC#N)[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000068608548 260256905 /nfs/dbraw/zinc/25/69/05/260256905.db2.gz JKJMIIFFOPPGPE-HNNXBMFYSA-N 1 1 271.408 3.411 20 30 CGEDMO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000068608548 260256906 /nfs/dbraw/zinc/25/69/06/260256906.db2.gz JKJMIIFFOPPGPE-HNNXBMFYSA-N 1 1 271.408 3.411 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCCC[C@@H]2C[C@H](C)O)c1 ZINC000448363733 261127342 /nfs/dbraw/zinc/12/73/42/261127342.db2.gz DCBFIANFVPGREN-DOTOQJQBSA-N 1 1 289.419 3.377 20 30 CGEDMO C=CC[C@@H]1[N@@H+](C[C@H](O)COCC(C)C)CCCC1(C)C ZINC000444783736 261179048 /nfs/dbraw/zinc/17/90/48/261179048.db2.gz TXBLBZFLTAQZIG-HOTGVXAUSA-N 1 1 283.456 3.087 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)Cc1ccc(C)s1 ZINC000102773463 261269722 /nfs/dbraw/zinc/26/97/22/261269722.db2.gz DEBIEMRURNSPSL-AWEZNQCLSA-N 1 1 292.448 3.077 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(C)s1 ZINC000102773463 261269723 /nfs/dbraw/zinc/26/97/23/261269723.db2.gz DEBIEMRURNSPSL-AWEZNQCLSA-N 1 1 292.448 3.077 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]Cc1ccc(C)o1 ZINC000053036445 261272010 /nfs/dbraw/zinc/27/20/10/261272010.db2.gz HQPPLWKUAQVTNA-UHFFFAOYSA-N 1 1 257.333 3.443 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000184091198 262008552 /nfs/dbraw/zinc/00/85/52/262008552.db2.gz RBSONBUVBATXIX-INIZCTEOSA-N 1 1 295.386 3.442 20 30 CGEDMO CC[C@@]1(CO)CCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000189625626 262173805 /nfs/dbraw/zinc/17/38/05/262173805.db2.gz ZCPTVMGNEYEXGF-SFHVURJKSA-N 1 1 286.419 3.225 20 30 CGEDMO CC(C)(C)OCc1cc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)no1 ZINC000193310022 262220521 /nfs/dbraw/zinc/22/05/21/262220521.db2.gz PLDLGRBYFDNJOF-OLZOCXBDSA-N 1 1 291.395 3.162 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000497933861 262235602 /nfs/dbraw/zinc/23/56/02/262235602.db2.gz MVMFEXLLNPNGSE-OAHLLOKOSA-N 1 1 288.435 3.225 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000365432001 262365196 /nfs/dbraw/zinc/36/51/96/262365196.db2.gz KRHMCXPLLGPRQM-CABCVRRESA-N 1 1 264.413 3.207 20 30 CGEDMO C[C@@H](CCC#N)[N@@H+]1CCc2ccc(Br)cc2C1 ZINC000411706134 262704452 /nfs/dbraw/zinc/70/44/52/262704452.db2.gz XKOOPBWROIXPJG-NSHDSACASA-N 1 1 293.208 3.499 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCc2ccc(Br)cc2C1 ZINC000411706134 262704453 /nfs/dbraw/zinc/70/44/53/262704453.db2.gz XKOOPBWROIXPJG-NSHDSACASA-N 1 1 293.208 3.499 20 30 CGEDMO C[C@@H](CCC#N)[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000411743055 262705665 /nfs/dbraw/zinc/70/56/65/262705665.db2.gz FFMHCCNIWAQUHD-NOLJZWGESA-N 1 1 292.810 3.040 20 30 CGEDMO CCN(CC)c1ccc(C[N@H+](C)C[C@H](C)C#N)cc1 ZINC000274051474 263021201 /nfs/dbraw/zinc/02/12/01/263021201.db2.gz GKMYVDPJGNKIBT-CQSZACIVSA-N 1 1 259.397 3.124 20 30 CGEDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@H](C)C#N)cc1 ZINC000274051474 263021202 /nfs/dbraw/zinc/02/12/02/263021202.db2.gz GKMYVDPJGNKIBT-CQSZACIVSA-N 1 1 259.397 3.124 20 30 CGEDMO C[C@H](CCC#N)[NH+]1CCN([C@H](C)c2ccsc2)CC1 ZINC000276563816 263037329 /nfs/dbraw/zinc/03/73/29/263037329.db2.gz MBKGXYCXIHGHDL-ZIAGYGMSSA-N 1 1 277.437 3.119 20 30 CGEDMO C[N@@H+](Cc1ccc(OC(F)F)cc1)[C@H]1CC[C@@H](C#N)C1 ZINC000278748619 263050398 /nfs/dbraw/zinc/05/03/98/263050398.db2.gz WVRYJHSKZMSOIQ-OLZOCXBDSA-N 1 1 280.318 3.412 20 30 CGEDMO CC(C)COC[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1ccco1 ZINC000282071554 263074105 /nfs/dbraw/zinc/07/41/05/263074105.db2.gz WVUFVRFPOFBGDY-KKUMJFAQSA-N 1 1 276.380 3.275 20 30 CGEDMO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2CC(C)(C)CCC#N ZINC000282971454 263080113 /nfs/dbraw/zinc/08/01/13/263080113.db2.gz IQEMIXZYUSSSGD-CVEARBPZSA-N 1 1 298.434 3.370 20 30 CGEDMO C=C[C@@H](CC(=O)Nc1cc[nH+]c(N(C)C)c1)c1ccccc1 ZINC000340191717 263086876 /nfs/dbraw/zinc/08/68/76/263086876.db2.gz VFXBBAHECJRVLH-AWEZNQCLSA-N 1 1 295.386 3.446 20 30 CGEDMO CC[C@@](C)(C#N)C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000285878725 263096450 /nfs/dbraw/zinc/09/64/50/263096450.db2.gz IKVCXLCUOWUVKF-HNNXBMFYSA-N 1 1 293.798 3.280 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000286030645 263096978 /nfs/dbraw/zinc/09/69/78/263096978.db2.gz HWIIVWDLFBBBLZ-CQSZACIVSA-N 1 1 260.385 3.267 20 30 CGEDMO Cc1cc(C)c2c(c1)C[N@@H+]([C@@H]1CC[C@@H](C#N)C1)CC2 ZINC000294574546 263163889 /nfs/dbraw/zinc/16/38/89/263163889.db2.gz MGXDOTDTFRGQKI-GDBMZVCRSA-N 1 1 254.377 3.354 20 30 CGEDMO CS[C@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000296357740 263190654 /nfs/dbraw/zinc/19/06/54/263190654.db2.gz QRSWPFNPFNFLSX-AWEZNQCLSA-N 1 1 274.433 3.425 20 30 CGEDMO C[C@@H](CCC#N)[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000297805047 263209718 /nfs/dbraw/zinc/20/97/18/263209718.db2.gz ICJCVIYPISIKSX-HNNXBMFYSA-N 1 1 271.408 3.411 20 30 CGEDMO C[C@H](CCC#N)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000298429434 263219409 /nfs/dbraw/zinc/21/94/09/263219409.db2.gz GITINOVRUVTQBE-MJGOQNOKSA-N 1 1 297.446 3.277 20 30 CGEDMO C[C@H](CCC#N)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000298429434 263219410 /nfs/dbraw/zinc/21/94/10/263219410.db2.gz GITINOVRUVTQBE-MJGOQNOKSA-N 1 1 297.446 3.277 20 30 CGEDMO C[C@H](CCC#N)[N@@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000298429434 263219411 /nfs/dbraw/zinc/21/94/11/263219411.db2.gz GITINOVRUVTQBE-MJGOQNOKSA-N 1 1 297.446 3.277 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC000298429434 263219414 /nfs/dbraw/zinc/21/94/14/263219414.db2.gz GITINOVRUVTQBE-MJGOQNOKSA-N 1 1 297.446 3.277 20 30 CGEDMO C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000120121767 263281263 /nfs/dbraw/zinc/28/12/63/263281263.db2.gz MWNNTCUWSBWSRZ-ZDUSSCGKSA-N 1 1 288.391 3.114 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000120121767 263281264 /nfs/dbraw/zinc/28/12/64/263281264.db2.gz MWNNTCUWSBWSRZ-ZDUSSCGKSA-N 1 1 288.391 3.114 20 30 CGEDMO C=C1CC[NH+]([C@H](C)C(=O)N(CC)c2ccccc2)CC1 ZINC000341986099 263381024 /nfs/dbraw/zinc/38/10/24/263381024.db2.gz UKFPMYRLLZJLGB-OAHLLOKOSA-N 1 1 272.392 3.080 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cnc(N(C)C)n1C)Cc1ccccc1 ZINC000425334019 264010039 /nfs/dbraw/zinc/01/00/39/264010039.db2.gz FZAZIVAVXJQIOJ-UHFFFAOYSA-N 1 1 298.434 3.064 20 30 CGEDMO C=C(C)C[N@H+](Cc1cnc(N(C)C)n1C)Cc1ccccc1 ZINC000425334019 264010041 /nfs/dbraw/zinc/01/00/41/264010041.db2.gz FZAZIVAVXJQIOJ-UHFFFAOYSA-N 1 1 298.434 3.064 20 30 CGEDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000330822931 264047709 /nfs/dbraw/zinc/04/77/09/264047709.db2.gz HRDYFZRIMPDQQI-YWPYICTPSA-N 1 1 273.336 3.246 20 30 CGEDMO C#CCOc1ccc([C@@H](C)[NH2+]Cc2nc(C)cs2)cc1 ZINC000126223236 264210278 /nfs/dbraw/zinc/21/02/78/264210278.db2.gz KFUUXXDKRIBIGE-CYBMUJFWSA-N 1 1 286.400 3.314 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@@H](COCC)C2)c1 ZINC000126566979 264215103 /nfs/dbraw/zinc/21/51/03/264215103.db2.gz XTCJBVOVFDZKLU-QGZVFWFLSA-N 1 1 289.419 3.500 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000160150885 264232421 /nfs/dbraw/zinc/23/24/21/264232421.db2.gz LPWHBKPELSBPME-CQSZACIVSA-N 1 1 299.349 3.078 20 30 CGEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](OC)C1CC1 ZINC000425395549 264275866 /nfs/dbraw/zinc/27/58/66/264275866.db2.gz HVQLHGIIZNZPGU-INIZCTEOSA-N 1 1 290.363 3.008 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccc(Cl)cc1-n1cncn1 ZINC000280164946 264435764 /nfs/dbraw/zinc/43/57/64/264435764.db2.gz GMPOGESIUQXHHS-UHFFFAOYSA-N 1 1 290.798 3.319 20 30 CGEDMO C[C@H]1CCC[C@@H]([N@@H+](C)CCOc2ccc(C#N)cc2)C1 ZINC000042373849 270033028 /nfs/dbraw/zinc/03/30/28/270033028.db2.gz LJSVWJKGDMXQLQ-GOEBONIOSA-N 1 1 272.392 3.448 20 30 CGEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CCC(C)(C)C#N)C12CCC2 ZINC000345706632 265097532 /nfs/dbraw/zinc/09/75/32/265097532.db2.gz GAODRWLQMYNEFW-ZIAGYGMSSA-N 1 1 264.413 3.206 20 30 CGEDMO C=CCOCCC[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000347966410 265139064 /nfs/dbraw/zinc/13/90/64/265139064.db2.gz FYPQJRMKEBDREY-CYBMUJFWSA-N 1 1 251.345 3.411 20 30 CGEDMO C=CCCCCC[NH2+]C1CCN(CC2CC2)CC1 ZINC000518999508 265290708 /nfs/dbraw/zinc/29/07/08/265290708.db2.gz DEJMAQLLZRNXGM-UHFFFAOYSA-N 1 1 250.430 3.197 20 30 CGEDMO Cc1cc(C[N@H+](C)C(C2CC2)C2CC2)ccc1C#N ZINC000486676892 270096897 /nfs/dbraw/zinc/09/68/97/270096897.db2.gz NZONVPMZHQPODF-UHFFFAOYSA-N 1 1 254.377 3.487 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)CC1(SC)CCC1 ZINC000356300845 266091894 /nfs/dbraw/zinc/09/18/94/266091894.db2.gz JTENQQJRSYGWMM-UHFFFAOYSA-N 1 1 295.448 3.436 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1CCC(C)C ZINC000362959187 267067447 /nfs/dbraw/zinc/06/74/47/267067447.db2.gz VPIOUGFUFUOGOL-MRXNPFEDSA-N 1 1 278.440 3.088 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000368439254 267172514 /nfs/dbraw/zinc/17/25/14/267172514.db2.gz SIIBTASXNFYHGD-MRXNPFEDSA-N 1 1 278.440 3.455 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)c2ccc(C)s2)CC1 ZINC000368566747 267186568 /nfs/dbraw/zinc/18/65/68/267186568.db2.gz OGOZXFVDTJWAQP-UHFFFAOYSA-N 1 1 298.839 3.003 20 30 CGEDMO C=C(Br)C[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000369416563 267241745 /nfs/dbraw/zinc/24/17/45/267241745.db2.gz HJPTXMZCPONNHZ-OLZOCXBDSA-N 1 1 288.229 3.034 20 30 CGEDMO COCCCC[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000369802549 267267981 /nfs/dbraw/zinc/26/79/81/267267981.db2.gz CYJRGKGHBNYCIP-SJORKVTESA-N 1 1 272.392 3.185 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccccc2OC(F)F)CCC1 ZINC000418140271 267361832 /nfs/dbraw/zinc/36/18/32/267361832.db2.gz JBYIZBXSLMCFCZ-UHFFFAOYSA-N 1 1 266.291 3.071 20 30 CGEDMO COc1cc(C[NH2+]CC2(C#N)CCC2)ccc1OC(F)F ZINC000418144705 267365629 /nfs/dbraw/zinc/36/56/29/267365629.db2.gz UVXZZMOLMBHYPN-UHFFFAOYSA-N 1 1 296.317 3.080 20 30 CGEDMO Cc1cc(C[N@@H+]2CCC(F)(F)C[C@H]2C)ccc1C#N ZINC000528774988 270172878 /nfs/dbraw/zinc/17/28/78/270172878.db2.gz WQCOKSVLZYNFHX-GFCCVEGCSA-N 1 1 264.319 3.486 20 30 CGEDMO N#Cc1ccc(OCC[N@H+]2CCCc3ccccc3C2)cc1 ZINC000316708261 268173283 /nfs/dbraw/zinc/17/32/83/268173283.db2.gz RAZHQINRZFECNG-UHFFFAOYSA-N 1 1 292.382 3.385 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+](Cc1ccccn1)C(C)C ZINC000533322525 270223339 /nfs/dbraw/zinc/22/33/39/270223339.db2.gz ZCTGCIXRZTUQAL-UHFFFAOYSA-N 1 1 295.386 3.372 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](Cc1ccccn1)C(C)C ZINC000533322525 270223340 /nfs/dbraw/zinc/22/33/40/270223340.db2.gz ZCTGCIXRZTUQAL-UHFFFAOYSA-N 1 1 295.386 3.372 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](OC)C1CC1 ZINC000425406575 276001723 /nfs/dbraw/zinc/00/17/23/276001723.db2.gz MTENMODYVBYGEQ-KRWDZBQOSA-N 1 1 272.392 3.195 20 30 CGEDMO CCC[NH+](CCC)CCCN[C@@H]1CCC[C@@H](C#N)C1 ZINC000192815143 276252912 /nfs/dbraw/zinc/25/29/12/276252912.db2.gz WLKRPLSPCUDJBP-HZPDHXFCSA-N 1 1 265.445 3.170 20 30 CGEDMO CCN(CCC#N)C(=O)C[N@H+]1CCCCC[C@@H]1CC(C)C ZINC000354468772 279172090 /nfs/dbraw/zinc/17/20/90/279172090.db2.gz XZQOJMWLUUYFNE-MRXNPFEDSA-N 1 1 293.455 3.039 20 30 CGEDMO C[C@@H]1CN(c2ccc(C#N)cc2C(F)(F)F)C[C@H](C)[N@@H+]1C ZINC000338789442 288258579 /nfs/dbraw/zinc/25/85/79/288258579.db2.gz WLVRNLJXYVDYQY-PHIMTYICSA-N 1 1 297.324 3.106 20 30 CGEDMO Cc1csc(C(C)(C)[NH2+]CC#Cc2ccc(F)cc2)n1 ZINC000122132258 281713701 /nfs/dbraw/zinc/71/37/01/281713701.db2.gz PZNQIDHUGCUYPA-UHFFFAOYSA-N 1 1 288.391 3.467 20 30 CGEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000550422845 289076490 /nfs/dbraw/zinc/07/64/90/289076490.db2.gz QYWRTPMPLSKJNA-HNNXBMFYSA-N 1 1 297.402 3.009 20 30 CGEDMO N#CC1(CC[N@H+]2CCOC[C@H]2C2CCC2)CCCCC1 ZINC000571082914 328084928 /nfs/dbraw/zinc/08/49/28/328084928.db2.gz XILUVZLXLIMTEN-INIZCTEOSA-N 1 1 276.424 3.351 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000571231547 328094105 /nfs/dbraw/zinc/09/41/05/328094105.db2.gz PSWKOEJCQXWERU-XHDPSFHLSA-N 1 1 273.767 3.360 20 30 CGEDMO COC[C@@]1(C)CC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411770988 328099680 /nfs/dbraw/zinc/09/96/80/328099680.db2.gz DXCKJPJLVZGXPZ-HNNXBMFYSA-N 1 1 264.413 3.209 20 30 CGEDMO CC(C)COC[C@@H]([NH2+][C@@H](C)CCC#N)c1ccco1 ZINC000278899692 328231946 /nfs/dbraw/zinc/23/19/46/328231946.db2.gz ISPWQLXICZODIR-UONOGXRCSA-N 1 1 264.369 3.275 20 30 CGEDMO Cc1cc(NC(=O)[C@@]2(C#N)CC23CCCC3)cn2cc[nH+]c12 ZINC000295714209 328286829 /nfs/dbraw/zinc/28/68/29/328286829.db2.gz YRKISHIWACGMPW-KRWDZBQOSA-N 1 1 294.358 3.055 20 30 CGEDMO CC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000565047381 322057136 /nfs/dbraw/zinc/05/71/36/322057136.db2.gz PQRZZQQWXCUFOV-AWEZNQCLSA-N 1 1 273.336 3.231 20 30 CGEDMO CCC[C@@H](C)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000566414117 322121113 /nfs/dbraw/zinc/12/11/13/322121113.db2.gz MGOYRYCKKOMFOH-CJNGLKHVSA-N 1 1 257.381 3.354 20 30 CGEDMO CC(C)CC[C@H]1CCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000567111613 322150504 /nfs/dbraw/zinc/15/05/04/322150504.db2.gz PGUWODHOKYQZMC-MRXNPFEDSA-N 1 1 297.406 3.002 20 30 CGEDMO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000570695407 322280027 /nfs/dbraw/zinc/28/00/27/322280027.db2.gz UQANPJYVGHSHMD-MFKMUULPSA-N 1 1 283.297 3.116 20 30 CGEDMO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000570695407 322280028 /nfs/dbraw/zinc/28/00/28/322280028.db2.gz UQANPJYVGHSHMD-MFKMUULPSA-N 1 1 283.297 3.116 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)nc1 ZINC000571951786 322313413 /nfs/dbraw/zinc/31/34/13/322313413.db2.gz IUXGNAPSZUYWDE-SFHVURJKSA-N 1 1 295.361 3.299 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cn1)CC1(c2ccccc2)CC1 ZINC000572374530 322334032 /nfs/dbraw/zinc/33/40/32/322334032.db2.gz ZEUBGCKYTJMADB-UHFFFAOYSA-N 1 1 277.371 3.117 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2cccc(F)c2)nc1 ZINC000572460957 322338468 /nfs/dbraw/zinc/33/84/68/322338468.db2.gz XRIINXQBKMCXMJ-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)nc1 ZINC000572460957 322338471 /nfs/dbraw/zinc/33/84/71/322338471.db2.gz XRIINXQBKMCXMJ-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO CC[C@@H](C)C[N@@H+](CC)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000572529427 322341931 /nfs/dbraw/zinc/34/19/31/322341931.db2.gz MGOPLYBTGLENKT-GFCCVEGCSA-N 1 1 275.352 3.334 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000535062351 328382264 /nfs/dbraw/zinc/38/22/64/328382264.db2.gz QNMHPRKCZOSRIV-CYBMUJFWSA-N 1 1 275.392 3.417 20 30 CGEDMO C=C(Cl)C[NH2+][C@H](C)c1cc(OC)ccc1OC ZINC000130950446 328490433 /nfs/dbraw/zinc/49/04/33/328490433.db2.gz DPTRQKAEUGNJJB-SNVBAGLBSA-N 1 1 255.745 3.107 20 30 CGEDMO N#CCSCCC[N@@H+](Cc1cccs1)C1CC1 ZINC000074980961 327122766 /nfs/dbraw/zinc/12/27/66/327122766.db2.gz QBLIMZVCKHQADN-UHFFFAOYSA-N 1 1 266.435 3.359 20 30 CGEDMO CC#CC[N@H+](C)Cc1cc(-c2ccc(C)cc2)no1 ZINC000559458888 327246349 /nfs/dbraw/zinc/24/63/49/327246349.db2.gz NOZWUWRNMSVDCF-UHFFFAOYSA-N 1 1 254.333 3.105 20 30 CGEDMO CC#CC[N@@H+](C)Cc1cc(-c2ccc(C)cc2)no1 ZINC000559458888 327246350 /nfs/dbraw/zinc/24/63/50/327246350.db2.gz NOZWUWRNMSVDCF-UHFFFAOYSA-N 1 1 254.333 3.105 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000555710232 327249591 /nfs/dbraw/zinc/24/95/91/327249591.db2.gz YWFIORYUWAGNLC-UHFFFAOYSA-N 1 1 293.370 3.054 20 30 CGEDMO CCCC[C@@H](C)[N@@H+](C)Cc1cccc(C(=O)OC)c1C#N ZINC000582516049 329099623 /nfs/dbraw/zinc/09/96/23/329099623.db2.gz UAAWNJZQTPORJW-CYBMUJFWSA-N 1 1 288.391 3.355 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)CCC(=O)NC1CCCC1 ZINC000173549672 329149051 /nfs/dbraw/zinc/14/90/51/329149051.db2.gz CIZBRYPISYMUMY-UHFFFAOYSA-N 1 1 293.455 3.087 20 30 CGEDMO Clc1ccc(C#CC[N@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000177037542 329178453 /nfs/dbraw/zinc/17/84/53/329178453.db2.gz YOROZJIFSZSEKK-HNNXBMFYSA-N 1 1 299.805 3.294 20 30 CGEDMO Clc1ccc(C#CC[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000177037555 329178482 /nfs/dbraw/zinc/17/84/82/329178482.db2.gz YOROZJIFSZSEKK-OAHLLOKOSA-N 1 1 299.805 3.294 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000178042030 329192037 /nfs/dbraw/zinc/19/20/37/329192037.db2.gz KTFSBEULONVWNY-MRXNPFEDSA-N 1 1 286.419 3.095 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccc(CO)cc1 ZINC000182697707 329207042 /nfs/dbraw/zinc/20/70/42/329207042.db2.gz YAIHJDSJYCILGP-UHFFFAOYSA-N 1 1 281.399 3.410 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000181045092 329225550 /nfs/dbraw/zinc/22/55/50/329225550.db2.gz SORJRHPDGMUMKA-UHFFFAOYSA-N 1 1 294.402 3.472 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000181290632 329229812 /nfs/dbraw/zinc/22/98/12/329229812.db2.gz JPCCGVFHVAMQLV-UHFFFAOYSA-N 1 1 254.717 3.256 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000181290632 329229813 /nfs/dbraw/zinc/22/98/13/329229813.db2.gz JPCCGVFHVAMQLV-UHFFFAOYSA-N 1 1 254.717 3.256 20 30 CGEDMO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)N[C@@H]1CCC[C@H](C#N)C1 ZINC000185796816 329332158 /nfs/dbraw/zinc/33/21/58/329332158.db2.gz QHLOVRYTKBWRIU-OVYGPGRDSA-N 1 1 277.456 3.025 20 30 CGEDMO C=CCN(C(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)C1CC1 ZINC000583271619 329415872 /nfs/dbraw/zinc/41/58/72/329415872.db2.gz KLABKJHOMNWFOU-HNNXBMFYSA-N 1 1 292.810 3.120 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)Cc1cc2ccccc2o1 ZINC000268520354 330065872 /nfs/dbraw/zinc/06/58/72/330065872.db2.gz ZYKMIIVWCNXOFW-CQSZACIVSA-N 1 1 259.349 3.192 20 30 CGEDMO C=CC(C)(C)CC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000527927976 330296870 /nfs/dbraw/zinc/29/68/70/330296870.db2.gz SNIDGVICGIKLIC-RBSFLKMASA-N 1 1 250.430 3.051 20 30 CGEDMO C=CCn1cc(C[NH2+][C@@H](c2ccc(C)cc2)C2CC2)nn1 ZINC000424291637 330334816 /nfs/dbraw/zinc/33/48/16/330334816.db2.gz DXQLNGMHRZFYBH-KRWDZBQOSA-N 1 1 282.391 3.013 20 30 CGEDMO C=CCn1cc(C[NH2+][C@@H](CC(C)C)c2ccccc2)nn1 ZINC000424293061 330335223 /nfs/dbraw/zinc/33/52/23/330335223.db2.gz HYMQZTBFNQNACF-KRWDZBQOSA-N 1 1 284.407 3.341 20 30 CGEDMO C=CCn1cc(C[NH2+][C@@H](C)c2cc(C)c(F)c(C)c2)nn1 ZINC000424294759 330335762 /nfs/dbraw/zinc/33/57/62/330335762.db2.gz LKWWPZZVXJRGPK-ZDUSSCGKSA-N 1 1 288.370 3.071 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000121048524 330395321 /nfs/dbraw/zinc/39/53/21/330395321.db2.gz QUEJUAXBXLFEDN-HOTGVXAUSA-N 1 1 288.435 3.193 20 30 CGEDMO C=C(CC)C[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000449737111 330947397 /nfs/dbraw/zinc/94/73/97/330947397.db2.gz YMEOYNWPGSDFPT-UHFFFAOYSA-N 1 1 250.289 3.218 20 30 CGEDMO CCO[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1C ZINC000451526835 331032695 /nfs/dbraw/zinc/03/26/95/331032695.db2.gz HBZILEHACDMTFF-PBHICJAKSA-N 1 1 291.822 3.438 20 30 CGEDMO CCO[C@H]1CC[N@@H+](CCCC(C)(C)C#N)C[C@H]1C ZINC000451540720 331033117 /nfs/dbraw/zinc/03/31/17/331033117.db2.gz KXELCHNCINQASJ-KGLIPLIRSA-N 1 1 252.402 3.063 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000451627963 331037395 /nfs/dbraw/zinc/03/73/95/331037395.db2.gz OCZIKKNJVAXRRL-MOPGFXCFSA-N 1 1 295.426 3.319 20 30 CGEDMO C=CCNC(=O)C[N@H+]1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000451730410 331040432 /nfs/dbraw/zinc/04/04/32/331040432.db2.gz ARRILEKCALYZNE-HNNXBMFYSA-N 1 1 292.810 3.169 20 30 CGEDMO C=CCNC(=O)C[N@@H+]1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000451730410 331040433 /nfs/dbraw/zinc/04/04/33/331040433.db2.gz ARRILEKCALYZNE-HNNXBMFYSA-N 1 1 292.810 3.169 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@H]1C[C@H](c2cccc(OC)c2)C1 ZINC000452019851 331050653 /nfs/dbraw/zinc/05/06/53/331050653.db2.gz QSGDVMHTALYCPZ-ULQDDVLXSA-N 1 1 289.419 3.200 20 30 CGEDMO C[N@@H+](CCCCC#N)C1CCN(CCC(F)(F)F)CC1 ZINC000452117822 331054817 /nfs/dbraw/zinc/05/48/17/331054817.db2.gz OEMMDPXKCNNFMQ-UHFFFAOYSA-N 1 1 291.361 3.029 20 30 CGEDMO C=CCC1(C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)CCCCC1 ZINC000457098846 331212299 /nfs/dbraw/zinc/21/22/99/331212299.db2.gz UQMVKQXGPFZHJC-MRXNPFEDSA-N 1 1 292.467 3.454 20 30 CGEDMO CC#CCC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000462318968 331319380 /nfs/dbraw/zinc/31/93/80/331319380.db2.gz ZKIOXYYRHOJARZ-FQEVSTJZSA-N 1 1 296.458 3.388 20 30 CGEDMO CC#CCC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000462318968 331319381 /nfs/dbraw/zinc/31/93/81/331319381.db2.gz ZKIOXYYRHOJARZ-FQEVSTJZSA-N 1 1 296.458 3.388 20 30 CGEDMO CC#CCC[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000462318968 331319382 /nfs/dbraw/zinc/31/93/82/331319382.db2.gz ZKIOXYYRHOJARZ-FQEVSTJZSA-N 1 1 296.458 3.388 20 30 CGEDMO CC#CCC[N@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000462318968 331319383 /nfs/dbraw/zinc/31/93/83/331319383.db2.gz ZKIOXYYRHOJARZ-FQEVSTJZSA-N 1 1 296.458 3.388 20 30 CGEDMO CC#CCC[N@@H+]1CCN(c2ccccc2)C[C@H]1CC ZINC000462444950 331322151 /nfs/dbraw/zinc/32/21/51/331322151.db2.gz AUPAYWLTHLIQNU-MRXNPFEDSA-N 1 1 256.393 3.001 20 30 CGEDMO CC#CCC[N@@H+](C)CCc1cccc(Br)c1 ZINC000463416310 331347378 /nfs/dbraw/zinc/34/73/78/331347378.db2.gz SCKQLQKGOLAUNS-UHFFFAOYSA-N 1 1 280.209 3.337 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000463451872 331347967 /nfs/dbraw/zinc/34/79/67/331347967.db2.gz QXPSOQYDEFUPRA-WMZOPIPTSA-N 1 1 273.420 3.367 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)NCCC1=CCCCC1 ZINC000489396503 332049786 /nfs/dbraw/zinc/04/97/86/332049786.db2.gz GMWFGRNFVIKRAL-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1CC ZINC000489430452 332051874 /nfs/dbraw/zinc/05/18/74/332051874.db2.gz OZOAOURECFAFIN-HNNXBMFYSA-N 1 1 272.392 3.228 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1CC ZINC000489430452 332051875 /nfs/dbraw/zinc/05/18/75/332051875.db2.gz OZOAOURECFAFIN-HNNXBMFYSA-N 1 1 272.392 3.228 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccsc2)no1 ZINC000489438168 332052144 /nfs/dbraw/zinc/05/21/44/332052144.db2.gz LZZYHKXIWCBOTG-GFCCVEGCSA-N 1 1 275.377 3.339 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccsc2)no1 ZINC000489438168 332052145 /nfs/dbraw/zinc/05/21/45/332052145.db2.gz LZZYHKXIWCBOTG-GFCCVEGCSA-N 1 1 275.377 3.339 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ncc(C)c(OC)c1C ZINC000489497552 332056636 /nfs/dbraw/zinc/05/66/36/332056636.db2.gz MWWNONGMIYOVEC-CQSZACIVSA-N 1 1 260.381 3.248 20 30 CGEDMO C=C[C@@H]1CCCCN1Cc1[nH+]cc(C)c(OC)c1C ZINC000489497552 332056640 /nfs/dbraw/zinc/05/66/40/332056640.db2.gz MWWNONGMIYOVEC-CQSZACIVSA-N 1 1 260.381 3.248 20 30 CGEDMO C=CCC(C)(C)CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000489860851 332070654 /nfs/dbraw/zinc/07/06/54/332070654.db2.gz QQOSQSBRAYZWKF-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C#C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000491352200 332195688 /nfs/dbraw/zinc/19/56/88/332195688.db2.gz YEUCFRMZMHPGOC-KRWDZBQOSA-N 1 1 264.303 3.161 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)CCCC(=O)Nc1c(C)cc(C)cc1C ZINC000491676490 332281834 /nfs/dbraw/zinc/28/18/34/332281834.db2.gz NZCDUPWQDPWJEZ-MRXNPFEDSA-N 1 1 286.419 3.284 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1OCc1ccncc1)C1CC1 ZINC000491692818 332289457 /nfs/dbraw/zinc/28/94/57/332289457.db2.gz JMLNMJBCECSDCV-UHFFFAOYSA-N 1 1 292.382 3.258 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1OCc1ccncc1)C1CC1 ZINC000491692818 332289458 /nfs/dbraw/zinc/28/94/58/332289458.db2.gz JMLNMJBCECSDCV-UHFFFAOYSA-N 1 1 292.382 3.258 20 30 CGEDMO CC(C)[C@@H](CC[N@@H+](C)CCCC#N)NC(=O)OC(C)(C)C ZINC000178464968 333073202 /nfs/dbraw/zinc/07/32/02/333073202.db2.gz KSCJGDDSQDDUFU-CQSZACIVSA-N 1 1 297.443 3.161 20 30 CGEDMO C=CCC[C@H]([NH2+]Cc1nc(C2CC2)nn1C)c1ccccc1 ZINC000516924669 333086389 /nfs/dbraw/zinc/08/63/89/333086389.db2.gz SBHSXUQRWBLGND-INIZCTEOSA-N 1 1 296.418 3.490 20 30 CGEDMO CCCCOc1cc(C[NH2+]CC2(C#N)CC2)ccc1OC ZINC000521742891 333186453 /nfs/dbraw/zinc/18/64/53/333186453.db2.gz RLUMBDQHUBSJTM-UHFFFAOYSA-N 1 1 288.391 3.267 20 30 CGEDMO C=CC[N@@H+](C)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000189705814 333198218 /nfs/dbraw/zinc/19/82/18/333198218.db2.gz XRLRCGUTGJEYIV-UHFFFAOYSA-N 1 1 282.428 3.141 20 30 CGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](C(C)C)C1CC1 ZINC000193044957 333241806 /nfs/dbraw/zinc/24/18/06/333241806.db2.gz ZQZMYOKVGULLDQ-QGZVFWFLSA-N 1 1 289.419 3.028 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000193328088 333248077 /nfs/dbraw/zinc/24/80/77/333248077.db2.gz XDRDICYLRONESD-INIZCTEOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)N[C@@H](C)c1ccc(CC)cc1 ZINC000523007822 333304401 /nfs/dbraw/zinc/30/44/01/333304401.db2.gz YHSUYKXBQWPCFU-HNNXBMFYSA-N 1 1 288.435 3.324 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]Cc1ccc(C#N)o1 ZINC000174377791 335153595 /nfs/dbraw/zinc/15/35/95/335153595.db2.gz ZWJLJBYQXMMCAF-UHFFFAOYSA-N 1 1 268.316 3.006 20 30 CGEDMO C=CC[C@@H](CC)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000546693775 334046713 /nfs/dbraw/zinc/04/67/13/334046713.db2.gz YKNAORUQIPNPRP-CQSZACIVSA-N 1 1 266.429 3.112 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1c(F)cccc1F ZINC000076734613 334088107 /nfs/dbraw/zinc/08/81/07/334088107.db2.gz AQKRFXFODIDYDB-NSHDSACASA-N 1 1 282.334 3.190 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](CC)[C@H](C)Cc1ccsc1 ZINC000249566248 334336763 /nfs/dbraw/zinc/33/67/63/334336763.db2.gz NBWWGAFBQCXVKU-UKRRQHHQSA-N 1 1 267.438 3.328 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000552811493 334345937 /nfs/dbraw/zinc/34/59/37/334345937.db2.gz HZQONHQRPLBBAL-BXUZGUMPSA-N 1 1 289.379 3.396 20 30 CGEDMO CC[C@H](C[NH2+]CCC#N)Oc1ccccc1Cl ZINC000567103941 334681300 /nfs/dbraw/zinc/68/13/00/334681300.db2.gz ZGPDIEWEGADKIC-LLVKDONJSA-N 1 1 252.745 3.001 20 30 CGEDMO CC[C@@H](C)[C@H](C)[N@@H+](CC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000581421063 336074360 /nfs/dbraw/zinc/07/43/60/336074360.db2.gz JLFSRABOHGGSAU-KGLIPLIRSA-N 1 1 299.418 3.396 20 30 CGEDMO C[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000581728961 336138834 /nfs/dbraw/zinc/13/88/34/336138834.db2.gz CMDOYZUECMULKU-RISCZKNCSA-N 1 1 273.336 3.087 20 30 CGEDMO C[C@@H]1Cc2[nH+]cn(Cc3cccc(C#N)c3F)c2C[C@H]1C ZINC000386664843 336177011 /nfs/dbraw/zinc/17/70/11/336177011.db2.gz BATQGABDVQKVOX-VXGBXAGGSA-N 1 1 283.350 3.313 20 30 CGEDMO CC[C@@H](C)C[N@@H+](CC)CCOc1ccc(C#N)cc1 ZINC000093250950 535509725 /nfs/dbraw/zinc/50/97/25/535509725.db2.gz MZOLOGATXVYOKQ-CQSZACIVSA-N 1 1 260.381 3.305 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000365415802 534048232 /nfs/dbraw/zinc/04/82/32/534048232.db2.gz YOADBLGKFHSGIB-WMLDXEAASA-N 1 1 292.386 3.289 20 30 CGEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccc(C#N)nc2)C1 ZINC000359506013 534111649 /nfs/dbraw/zinc/11/16/49/534111649.db2.gz IEPQMEBBDQFUKS-KBXCAEBGSA-N 1 1 292.386 3.201 20 30 CGEDMO Cc1ccc(-c2ncc(C[NH2+][C@@H]3CCC[C@H]3C#N)s2)o1 ZINC000350458613 534218083 /nfs/dbraw/zinc/21/80/83/534218083.db2.gz KAOKPJXIYHZUMC-WCQYABFASA-N 1 1 287.388 3.493 20 30 CGEDMO C=CC[NH2+][C@H](CC)c1nc(C(F)(F)F)cs1 ZINC000185955556 518961437 /nfs/dbraw/zinc/96/14/37/518961437.db2.gz YZBKRXHICRYCOS-SSDOTTSWSA-N 1 1 250.289 3.389 20 30 CGEDMO CN(C)c1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000102675132 522170389 /nfs/dbraw/zinc/17/03/89/522170389.db2.gz JFBKFROVXSZGMM-UHFFFAOYSA-N 1 1 279.387 3.256 20 30 CGEDMO N#Cc1c(C[N@H+]2CC[C@H]3CCC[C@@H]32)cn2ccccc12 ZINC000426486226 534761102 /nfs/dbraw/zinc/76/11/02/534761102.db2.gz LAEHHMIUYZLBND-CJNGLKHVSA-N 1 1 265.360 3.185 20 30 CGEDMO C=C(C)C[N@H+](CCC(C)C)Cc1ccc(CO)o1 ZINC000352789269 526551215 /nfs/dbraw/zinc/55/12/15/526551215.db2.gz BMGOREBHEIRMES-UHFFFAOYSA-N 1 1 251.370 3.196 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)cc1 ZINC000278963502 526617438 /nfs/dbraw/zinc/61/74/38/526617438.db2.gz ZTBJGMONAAYVOG-CYBMUJFWSA-N 1 1 268.282 3.333 20 30 CGEDMO C=C1CC[NH+]([C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000352221066 526907688 /nfs/dbraw/zinc/90/76/88/526907688.db2.gz GLFGKKXMDYRLEE-HNNXBMFYSA-N 1 1 290.794 3.097 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000347643952 526985624 /nfs/dbraw/zinc/98/56/24/526985624.db2.gz DJHUKJYJYGWLCH-HNNXBMFYSA-N 1 1 264.413 3.207 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cnc2ccc(Cl)cn12 ZINC000353707508 527192052 /nfs/dbraw/zinc/19/20/52/527192052.db2.gz DWVWCXLPNJKYGB-UHFFFAOYSA-N 1 1 263.772 3.386 20 30 CGEDMO C=CCCC[N@H+](CC)[C@@H]1CCN(c2ccccc2)C1=O ZINC000344595125 527195681 /nfs/dbraw/zinc/19/56/81/527195681.db2.gz YGVSSIXOVCQRLT-MRXNPFEDSA-N 1 1 272.392 3.080 20 30 CGEDMO C=CCCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000344457114 527223993 /nfs/dbraw/zinc/22/39/93/527223993.db2.gz LWGAJTCDTGZVDX-KRWDZBQOSA-N 1 1 286.419 3.124 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccccc1-c1ccnn1C ZINC000353131324 527322395 /nfs/dbraw/zinc/32/23/95/527322395.db2.gz YSWMGVTXUFWQPM-UHFFFAOYSA-N 1 1 255.365 3.095 20 30 CGEDMO C=CCC[C@H](C)[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000192923687 527464882 /nfs/dbraw/zinc/46/48/82/527464882.db2.gz OSAFPNKLKFZYMM-WMZOPIPTSA-N 1 1 272.436 3.453 20 30 CGEDMO CCN1CC[C@@H]([N@H+](C)CC(C)(C)CCC#N)C[C@@H]1C ZINC000353769312 527754192 /nfs/dbraw/zinc/75/41/92/527754192.db2.gz RFWGMMXXDBMWKP-LSDHHAIUSA-N 1 1 265.445 3.121 20 30 CGEDMO CCN1CC[C@@H]([N@@H+](C)CC(C)(C)CCC#N)C[C@@H]1C ZINC000353769312 527754194 /nfs/dbraw/zinc/75/41/94/527754194.db2.gz RFWGMMXXDBMWKP-LSDHHAIUSA-N 1 1 265.445 3.121 20 30 CGEDMO CCC[N@H+]1CC[C@H](CNc2cccc(Cl)c2C#N)C1 ZINC000450276609 528262734 /nfs/dbraw/zinc/26/27/34/528262734.db2.gz POPXYIKEOWHBSS-GFCCVEGCSA-N 1 1 277.799 3.355 20 30 CGEDMO CCOCCC[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000159770455 528657676 /nfs/dbraw/zinc/65/76/76/528657676.db2.gz AITQDBUGHIBJAI-UHFFFAOYSA-N 1 1 260.381 3.195 20 30 CGEDMO CC/C=C/CC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000364167389 528771887 /nfs/dbraw/zinc/77/18/87/528771887.db2.gz VEFXORNTFZTWDY-REMYHPOOSA-N 1 1 270.376 3.288 20 30 CGEDMO CC/C=C/CC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000364167389 528771894 /nfs/dbraw/zinc/77/18/94/528771894.db2.gz VEFXORNTFZTWDY-REMYHPOOSA-N 1 1 270.376 3.288 20 30 CGEDMO C[N@H+]1CCC[C@@H](CNc2cc(C#N)ccc2C(F)(F)F)C1 ZINC000124230277 536364492 /nfs/dbraw/zinc/36/44/92/536364492.db2.gz ZXLHAKZTSPSXSP-LBPRGKRZSA-N 1 1 297.324 3.331 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(OCC#N)cc1 ZINC000731211692 572401904 /nfs/dbraw/zinc/40/19/04/572401904.db2.gz VORQHIOAKNVBAO-UHFFFAOYSA-N 1 1 291.354 3.093 20 30 CGEDMO C=C(Cl)C[N@H+](CCC)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000741054731 572480206 /nfs/dbraw/zinc/48/02/06/572480206.db2.gz UJFQCEZRBWWKPU-YNEHKIRRSA-N 1 1 257.805 3.264 20 30 CGEDMO CC[N@H+]1CCC(=NN[C@@H](C)c2ccccc2)[C@@H](C)C1 ZINC000741461137 572499685 /nfs/dbraw/zinc/49/96/85/572499685.db2.gz FFEQUMPFDKAZHK-KBPBESRZSA-N 1 1 259.397 3.055 20 30 CGEDMO C#CC[N@@H+](CCOCC1CC1)[C@@H]1CCc2ccccc21 ZINC000741776702 572525733 /nfs/dbraw/zinc/52/57/33/572525733.db2.gz ONYZKUYINSLHGG-GOSISDBHSA-N 1 1 269.388 3.036 20 30 CGEDMO C=C(Cl)COC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000735940662 572750833 /nfs/dbraw/zinc/75/08/33/572750833.db2.gz SUOQKTJXLNAXCN-OAHLLOKOSA-N 1 1 293.794 3.194 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000746456772 572872033 /nfs/dbraw/zinc/87/20/33/572872033.db2.gz ITESTASOCXWXRT-UHFFFAOYSA-N 1 1 292.382 3.394 20 30 CGEDMO C[C@@H]1CC(=NOCc2ccc(C(F)(F)F)cc2)C[N@H+]1C ZINC000746576143 572880847 /nfs/dbraw/zinc/88/08/47/572880847.db2.gz GSMBZMGZFTWEGS-SNVBAGLBSA-N 1 1 286.297 3.302 20 30 CGEDMO C[N@@H+](CCCOc1ccc(C#N)cc1)Cc1cccc(O)c1 ZINC000748816023 572985503 /nfs/dbraw/zinc/98/55/03/572985503.db2.gz CCUGDEMAVONVHS-UHFFFAOYSA-N 1 1 296.370 3.165 20 30 CGEDMO C=C(C)C[N@H+](C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC000749808125 573039466 /nfs/dbraw/zinc/03/94/66/573039466.db2.gz CSFZBRJEDWMGOA-AWEZNQCLSA-N 1 1 284.444 3.434 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C(C)C)C[C@@H]1C ZINC000947369466 613237994 /nfs/dbraw/zinc/23/79/94/613237994.db2.gz MNJDQFAUJFJCBN-JKSUJKDBSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)C3(CC)CC3)C2)C1 ZINC000981990527 613250898 /nfs/dbraw/zinc/25/08/98/613250898.db2.gz KHGGYWXJYJBUJN-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@H](C)C2)CC1 ZINC000981845775 613253708 /nfs/dbraw/zinc/25/37/08/613253708.db2.gz XQSGHRBZAGGFKM-DLBZAZTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@@H](C)C2)CC1 ZINC000981845778 613254464 /nfs/dbraw/zinc/25/44/64/613254464.db2.gz XQSGHRBZAGGFKM-SJORKVTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[NH+]1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000957546119 613261955 /nfs/dbraw/zinc/26/19/55/613261955.db2.gz NBVZQWVAISUFPS-UHFFFAOYSA-N 1 1 298.839 3.126 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2(C)CCCC2)[C@@H](C)C1 ZINC000942540133 613265232 /nfs/dbraw/zinc/26/52/32/613265232.db2.gz HEQZXMFONFWJEA-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)CC2CCCC2)C1 ZINC000964803250 613268730 /nfs/dbraw/zinc/26/87/30/613268730.db2.gz KXZQTOXFRPZKMJ-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)CC2CCC2)C(C)(C)C1 ZINC000940648891 613271090 /nfs/dbraw/zinc/27/10/90/613271090.db2.gz JFKSZRUGKKKXOO-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2C=CCC2)C(C)(C)C1 ZINC000972795339 613273837 /nfs/dbraw/zinc/27/38/37/613273837.db2.gz AXAPIXGNBMRGIA-HZPDHXFCSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCC2(C)C)C(C)(C)C1 ZINC000974942020 613277316 /nfs/dbraw/zinc/27/73/16/613277316.db2.gz CWWBMZRUYNFYLK-GJZGRUSLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)C2CCC3(CC3)CC2)C1 ZINC000971953387 613283112 /nfs/dbraw/zinc/28/31/12/613283112.db2.gz FULUTQQKEOBSIM-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(C)c(C)c2)C1 ZINC000980309108 613286422 /nfs/dbraw/zinc/28/64/22/613286422.db2.gz ZIKMJFFREJOBIH-QGZVFWFLSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)CC2CCCC2)CC1 ZINC000948152235 613313787 /nfs/dbraw/zinc/31/37/87/613313787.db2.gz NPUYVYGCLSVMBX-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccsc2)CC1 ZINC000948169935 613314030 /nfs/dbraw/zinc/31/40/30/613314030.db2.gz VIWDCQCCXBQLHH-OAHLLOKOSA-N 1 1 292.448 3.251 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCC)C1 ZINC000963244851 613315547 /nfs/dbraw/zinc/31/55/47/613315547.db2.gz RIYVIACGDGKNHG-HOTGVXAUSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](C)[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC000968565600 613323746 /nfs/dbraw/zinc/32/37/46/613323746.db2.gz HNJHSTOKDMLPSQ-VQHPVUNQSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C(F)=C2CCCC2)C1 ZINC000965894099 613324599 /nfs/dbraw/zinc/32/45/99/613324599.db2.gz BSODMFAMZYYMPC-UKRRQHHQSA-N 1 1 294.414 3.187 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC000967993309 613325722 /nfs/dbraw/zinc/32/57/22/613325722.db2.gz IWXFVIJIVKIPOW-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2(F)CCCCC2)[C@H](C)C1 ZINC000943985796 613326970 /nfs/dbraw/zinc/32/69/70/613326970.db2.gz AJCAFXFQPFQWJN-HUUCEWRRSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)=C2CCCC2)C[C@@H]1C ZINC000947196599 613334617 /nfs/dbraw/zinc/33/46/17/613334617.db2.gz XKSMSJOSSDCJOV-YOEHRIQHSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2(F)CCCCC2)C[C@H]1C ZINC000947894493 613334681 /nfs/dbraw/zinc/33/46/81/613334681.db2.gz ALFSKKGWUPQYTP-CABCVRRESA-N 1 1 296.430 3.204 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C2(F)CCCCC2)[C@@H](C)C1 ZINC000943985795 613334751 /nfs/dbraw/zinc/33/47/51/613334751.db2.gz AJCAFXFQPFQWJN-GJZGRUSLSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC2=CCCCC2)C[C@H]1C ZINC000947143216 613334947 /nfs/dbraw/zinc/33/49/47/613334947.db2.gz IEFMDVJSKXEYOH-WBVHZDCISA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cccc(C)c2)[C@H](C)C1 ZINC000941777101 613336279 /nfs/dbraw/zinc/33/62/79/613336279.db2.gz MOJTXURJGQZTEK-WBVHZDCISA-N 1 1 286.419 3.011 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2sccc2C)[C@@H](C)C1 ZINC000941746525 613337395 /nfs/dbraw/zinc/33/73/95/613337395.db2.gz HHPAHIVGKMCXKJ-KBPBESRZSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@]2(C)CC=CCC2)C(C)(C)C1 ZINC000974618153 613338193 /nfs/dbraw/zinc/33/81/93/613338193.db2.gz CVILOGYDJXVLKY-QAPCUYQASA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)c3ccccc3)C[C@@]2(C)C1 ZINC000982193411 613340663 /nfs/dbraw/zinc/34/06/63/613340663.db2.gz KJCQFPHJSXYIDX-KDURUIRLSA-N 1 1 298.430 3.047 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)C=C2CCCCC2)C1 ZINC000971170206 613369575 /nfs/dbraw/zinc/36/95/75/613369575.db2.gz WAEWNRUIQCTOFS-HNNXBMFYSA-N 1 1 296.842 3.162 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)C=C2CCCCC2)C1 ZINC000971170206 613369576 /nfs/dbraw/zinc/36/95/76/613369576.db2.gz WAEWNRUIQCTOFS-HNNXBMFYSA-N 1 1 296.842 3.162 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H]2C=CCCC2)C1 ZINC000971772286 613369928 /nfs/dbraw/zinc/36/99/28/613369928.db2.gz OVLBOBLQTKPJOR-CABCVRRESA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)C[C@@H]2C=CCCC2)C1 ZINC000971772286 613369929 /nfs/dbraw/zinc/36/99/29/613369929.db2.gz OVLBOBLQTKPJOR-CABCVRRESA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](C2CCN(C(=O)CC)CC2)C1 ZINC000961300634 613374381 /nfs/dbraw/zinc/37/43/81/613374381.db2.gz SXRIURLYTBYVSM-HNNXBMFYSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(C)CCCC2)C[C@H]1C ZINC000947588224 613375998 /nfs/dbraw/zinc/37/59/98/613375998.db2.gz AHFORACTFNLBPG-ZIAGYGMSSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(C)CCCC2)C[C@H]1C ZINC000947588224 613375999 /nfs/dbraw/zinc/37/59/99/613375999.db2.gz AHFORACTFNLBPG-ZIAGYGMSSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C(C)=C2CCC2)C[C@@H]1C ZINC000947301222 613376010 /nfs/dbraw/zinc/37/60/10/613376010.db2.gz PPTHWBYCFHXOQX-SWLSCSKDSA-N 1 1 296.842 3.208 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C(C)=C2CCC2)C[C@@H]1C ZINC000947301222 613376011 /nfs/dbraw/zinc/37/60/11/613376011.db2.gz PPTHWBYCFHXOQX-SWLSCSKDSA-N 1 1 296.842 3.208 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCC)C2)C1 ZINC000961102297 613377471 /nfs/dbraw/zinc/37/74/71/613377471.db2.gz SYJHVLBGPYQJNH-HUUCEWRRSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](CCCF)[C@@H](C)C2)CC1 ZINC000947690162 613412517 /nfs/dbraw/zinc/41/25/17/613412517.db2.gz RIZMVWVKDUFHPD-HOCLYGCPSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC2(C1)CCC[N@H+](CCC(=C)C)C2 ZINC000981937924 613429395 /nfs/dbraw/zinc/42/93/95/613429395.db2.gz QQMCLXHNOQBEFF-UHFFFAOYSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC1(C)C ZINC000968994255 613491174 /nfs/dbraw/zinc/49/11/74/613491174.db2.gz RIFLWYDZZIPBEX-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)C2(C)CCCCCC2)CC1 ZINC000981350360 613491590 /nfs/dbraw/zinc/49/15/90/613491590.db2.gz LTKNBSBDMGVSDO-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)[C@H]2C[C@]2(CC)C(C)C)CC1 ZINC000983391806 613495945 /nfs/dbraw/zinc/49/59/45/613495945.db2.gz YERLNCBERLEDME-SJLPKXTDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H](C)C2CCC2)CC1 ZINC000948541681 613499871 /nfs/dbraw/zinc/49/98/71/613499871.db2.gz ICLOAYUKYDFWAV-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)C2(F)CCCC2)CC1 ZINC000948570627 613500998 /nfs/dbraw/zinc/50/09/98/613500998.db2.gz NJXMAOFSKZFLAR-HNNXBMFYSA-N 1 1 296.430 3.158 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)c2ccc(C)o2)CC1 ZINC000948164517 613501407 /nfs/dbraw/zinc/50/14/07/613501407.db2.gz DRPNEVIJZVRLDG-HNNXBMFYSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCC1 ZINC000960829896 613502301 /nfs/dbraw/zinc/50/23/01/613502301.db2.gz YIEWDYDSIXRSST-SJLPKXTDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1C[C@]2(C)C[N@H+](C(C)C)C[C@]2(C)C1 ZINC000982523652 613504999 /nfs/dbraw/zinc/50/49/99/613504999.db2.gz VOGGNXLGRMWOPO-KURKYZTESA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[NH+]1CCN(C(=O)c2oc3ccccc3c2C)CC1 ZINC000957552970 613513008 /nfs/dbraw/zinc/51/30/08/613513008.db2.gz GGPGHBPSHRIMLK-UHFFFAOYSA-N 1 1 298.386 3.075 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC000967493749 613514513 /nfs/dbraw/zinc/51/45/13/613514513.db2.gz GBRONTCQAHOPTN-ZBFHGGJFSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(C)s2)C1 ZINC000964709097 613517860 /nfs/dbraw/zinc/51/78/60/613517860.db2.gz HCXKBBNNZFLXDA-TZMCWYRMSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C(C)=C2CCC2)C(C)(C)C1 ZINC000940739778 613518634 /nfs/dbraw/zinc/51/86/34/613518634.db2.gz AEIQLOSDTFOUJP-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cscc2C)C1 ZINC000965769187 613530695 /nfs/dbraw/zinc/53/06/95/613530695.db2.gz WSZNSULVZFYQKJ-WFASDCNBSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)C2CCCCC2)C(C)(C)C1 ZINC000940542272 613534750 /nfs/dbraw/zinc/53/47/50/613534750.db2.gz CTMDTJZSEKMKPF-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C2CCC2)C(C)(C)C1 ZINC000974873540 613543694 /nfs/dbraw/zinc/54/36/94/613543694.db2.gz URQCUXHYWHJZFR-OAHLLOKOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1sccc1F ZINC000968847085 613685638 /nfs/dbraw/zinc/68/56/38/613685638.db2.gz UFQGLFHEVZBYFL-GFCCVEGCSA-N 1 1 296.411 3.048 20 30 CGEDMO C=CC[N@H+]1CCCN(C(=O)c2cc(C(C)C)oc2C)CC1 ZINC000983483259 613696433 /nfs/dbraw/zinc/69/64/33/613696433.db2.gz VYNISTASAKHQOQ-UHFFFAOYSA-N 1 1 290.407 3.045 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)c2cc(C(C)C)oc2C)CC1 ZINC000983483259 613696434 /nfs/dbraw/zinc/69/64/34/613696434.db2.gz VYNISTASAKHQOQ-UHFFFAOYSA-N 1 1 290.407 3.045 20 30 CGEDMO C=CC[N@H+]1CCCN(C(=O)c2ccc(CCC)s2)CC1 ZINC000981253359 613697191 /nfs/dbraw/zinc/69/71/91/613697191.db2.gz QKWKPXLEMWDHGV-UHFFFAOYSA-N 1 1 292.448 3.035 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)c2ccc(CCC)s2)CC1 ZINC000981253359 613697192 /nfs/dbraw/zinc/69/71/92/613697192.db2.gz QKWKPXLEMWDHGV-UHFFFAOYSA-N 1 1 292.448 3.035 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C)CC)CC2)C1 ZINC000961330511 613700534 /nfs/dbraw/zinc/70/05/34/613700534.db2.gz KTMSLQUKLVNUOQ-DOTOQJQBSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)C(C)=C2CCCC2)CC1 ZINC000948285822 613703554 /nfs/dbraw/zinc/70/35/54/613703554.db2.gz DGYPXEATZVNEPD-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CC(C)C)CC2)C1 ZINC000961311751 613703816 /nfs/dbraw/zinc/70/38/16/613703816.db2.gz FELHKPGNDNFYBX-KRWDZBQOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)c2ccc(C)s2)CC1 ZINC000948151470 613705166 /nfs/dbraw/zinc/70/51/66/613705166.db2.gz AMHWIQMNCJASHC-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)c2sccc2C)CC1 ZINC000948148936 613705971 /nfs/dbraw/zinc/70/59/71/613705971.db2.gz KWXOURQLTCRXJA-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C23CCC(CC2)CC3)C[C@@H]1C ZINC000948071131 613740827 /nfs/dbraw/zinc/74/08/27/613740827.db2.gz VPCHKSJQYRUKLM-UERKLNTKSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)C[C@H]2C=CCCC2)C(C)(C)C1 ZINC000940835814 613743385 /nfs/dbraw/zinc/74/33/85/613743385.db2.gz DMHGBCMNSGXZPS-JKSUJKDBSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2c(C)cccc2C)C[C@H]1C ZINC000947730706 613747104 /nfs/dbraw/zinc/74/71/04/613747104.db2.gz DVGFVMPPIZYZMI-HZPDHXFCSA-N 1 1 286.419 3.072 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)C2(C)CCCCCC2)[C@H](C)C1 ZINC000942133874 613779443 /nfs/dbraw/zinc/77/94/43/613779443.db2.gz HWSUYFIEGFODDD-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2(C3CCC3)CCC2)C[C@@H]1C ZINC000947579414 613779490 /nfs/dbraw/zinc/77/94/90/613779490.db2.gz AUQFADHEYSDHEF-HOCLYGCPSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)c2ccc(C3CC3)cc2)[C@@H](C)C1 ZINC000945064629 613789703 /nfs/dbraw/zinc/78/97/03/613789703.db2.gz YPYZAECXVPETGP-KSSFIOAISA-N 1 1 298.430 3.190 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)c2cccc(C3CC3)c2)[C@@H](C)C1 ZINC000945221656 613791244 /nfs/dbraw/zinc/79/12/44/613791244.db2.gz KKZKILAKIFMUMQ-KSSFIOAISA-N 1 1 298.430 3.190 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2occc2C(C)C)C[C@@H]1C ZINC000947652821 613800857 /nfs/dbraw/zinc/80/08/57/613800857.db2.gz FGJYCXSHEPWMJZ-KBPBESRZSA-N 1 1 290.407 3.172 20 30 CGEDMO C[N@@H+]1Cc2ccc(N=Cc3ccccc3O)cc2C1 ZINC000255049496 617797899 /nfs/dbraw/zinc/79/78/99/617797899.db2.gz VENPEJPFTKSWLM-UHFFFAOYSA-N 1 1 252.317 3.088 20 30 CGEDMO C[N@H+]1Cc2ccc(N=Cc3ccccc3O)cc2C1 ZINC000255049496 617797908 /nfs/dbraw/zinc/79/79/08/617797908.db2.gz VENPEJPFTKSWLM-UHFFFAOYSA-N 1 1 252.317 3.088 20 30 CGEDMO C=C(C)CNN=C1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000811651287 617661159 /nfs/dbraw/zinc/66/11/59/617661159.db2.gz PJFGSODRYBQFCY-HNNXBMFYSA-N 1 1 271.408 3.050 20 30 CGEDMO C=C(C)CNN=C1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000811651287 617661160 /nfs/dbraw/zinc/66/11/60/617661160.db2.gz PJFGSODRYBQFCY-HNNXBMFYSA-N 1 1 271.408 3.050 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccc(C)cc2)no1 ZINC000899990806 620742438 /nfs/dbraw/zinc/74/24/38/620742438.db2.gz XHUNDIXEQNOTJR-ZDUSSCGKSA-N 1 1 257.337 3.401 20 30 CGEDMO CC(C)N(C)c1ccc(C=[NH+]OC/C=C\Cl)cn1 ZINC000811668167 617691197 /nfs/dbraw/zinc/69/11/97/617691197.db2.gz BWTSITAPEBCLFF-PLBVDPBDSA-N 1 1 267.760 3.029 20 30 CGEDMO C#CC[N@@H+](Cc1coc(-c2ccccc2OC)n1)C(C)C ZINC000932384597 617710032 /nfs/dbraw/zinc/71/00/32/617710032.db2.gz VQMYDXMRABNOQI-UHFFFAOYSA-N 1 1 284.359 3.194 20 30 CGEDMO C#CC[N@H+](Cc1coc(-c2ccccc2OC)n1)C(C)C ZINC000932384597 617710036 /nfs/dbraw/zinc/71/00/36/617710036.db2.gz VQMYDXMRABNOQI-UHFFFAOYSA-N 1 1 284.359 3.194 20 30 CGEDMO N#Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000306618982 617711367 /nfs/dbraw/zinc/71/13/67/617711367.db2.gz UDWQHCXIFBEKHZ-SFHVURJKSA-N 1 1 278.355 3.132 20 30 CGEDMO N#Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000306618982 617711372 /nfs/dbraw/zinc/71/13/72/617711372.db2.gz UDWQHCXIFBEKHZ-SFHVURJKSA-N 1 1 278.355 3.132 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(COc2ccccc2F)no1 ZINC000900011735 620746150 /nfs/dbraw/zinc/74/61/50/620746150.db2.gz HHFUPNDJJQXBGP-GFCCVEGCSA-N 1 1 291.326 3.144 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C=C(C)C)C1 ZINC001021510798 618017175 /nfs/dbraw/zinc/01/71/75/618017175.db2.gz KQRULJXKCRCAPV-HUUCEWRRSA-N 1 1 296.842 3.018 20 30 CGEDMO CO[C@@H]1CC[C@H]1[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000934105871 618465226 /nfs/dbraw/zinc/46/52/26/618465226.db2.gz QLEVGCLEBYNXFC-HUUCEWRRSA-N 1 1 297.320 3.166 20 30 CGEDMO C[C@H]1CSCCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000934303341 618585424 /nfs/dbraw/zinc/58/54/24/618585424.db2.gz MAJWRJLOKFBZJB-ZDUSSCGKSA-N 1 1 285.416 3.138 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1nc(-c2ccc(F)cc2)no1 ZINC000934471772 618627668 /nfs/dbraw/zinc/62/76/68/618627668.db2.gz NUMWPDKVHLARPS-ZDUSSCGKSA-N 1 1 273.311 3.026 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1nc(-c2ccc(F)cc2)no1 ZINC000934471772 618627672 /nfs/dbraw/zinc/62/76/72/618627672.db2.gz NUMWPDKVHLARPS-ZDUSSCGKSA-N 1 1 273.311 3.026 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000934470605 618627743 /nfs/dbraw/zinc/62/77/43/618627743.db2.gz OQGZWAFSNVEKRH-CABCVRRESA-N 1 1 272.392 3.281 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000934470605 618627745 /nfs/dbraw/zinc/62/77/45/618627745.db2.gz OQGZWAFSNVEKRH-CABCVRRESA-N 1 1 272.392 3.281 20 30 CGEDMO C#CC[N@H+](C)CCCN[C@H](CCC)c1ncccc1Cl ZINC000926490256 618710298 /nfs/dbraw/zinc/71/02/98/618710298.db2.gz MEBJRHTWOXDRGK-OAHLLOKOSA-N 1 1 293.842 3.121 20 30 CGEDMO C#CCN(C)CCC[NH2+][C@H](CCC)c1ncccc1Cl ZINC000926490256 618710302 /nfs/dbraw/zinc/71/03/02/618710302.db2.gz MEBJRHTWOXDRGK-OAHLLOKOSA-N 1 1 293.842 3.121 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000168920362 618737652 /nfs/dbraw/zinc/73/76/52/618737652.db2.gz BWMWKCFGFNMDOD-UHFFFAOYSA-N 1 1 258.365 3.039 20 30 CGEDMO NC(CCc1ccccc1)=[NH+]OCc1ccccc1[N+](=O)[O-] ZINC000066374144 618847024 /nfs/dbraw/zinc/84/70/24/618847024.db2.gz NDXQYMKXVLKGML-UHFFFAOYSA-N 1 1 299.330 3.016 20 30 CGEDMO CCC[N@@H+](C)C[C@H]1CCN(c2ccc(C#N)cc2Cl)C1 ZINC000892722586 618924972 /nfs/dbraw/zinc/92/49/72/618924972.db2.gz VSMZKHSRSXMBHU-CQSZACIVSA-N 1 1 291.826 3.380 20 30 CGEDMO NC(=[NH+]OCc1c(F)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000171611354 618926769 /nfs/dbraw/zinc/92/67/69/618926769.db2.gz UCJHPKAKBKFWCU-UHFFFAOYSA-N 1 1 295.314 3.103 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(OCCC)c(OCC)c1 ZINC000775183469 619005665 /nfs/dbraw/zinc/00/56/65/619005665.db2.gz MZBKMTTWEGWVED-CQSZACIVSA-N 1 1 275.392 3.328 20 30 CGEDMO COC[C@H]1CCC[N@@H+](Cc2c(C)cc(C#N)cc2C)CC1 ZINC000930675262 619055354 /nfs/dbraw/zinc/05/53/54/619055354.db2.gz HQIDKIBXELLEFY-INIZCTEOSA-N 1 1 286.419 3.424 20 30 CGEDMO N#CC1(CCCC[N@@H+](C2CC2)C2(CO)CCC2)CCC1 ZINC000930691606 619058576 /nfs/dbraw/zinc/05/85/76/619058576.db2.gz MLRZJBYYLFKFGF-UHFFFAOYSA-N 1 1 276.424 3.230 20 30 CGEDMO N#CC1(CCCC[N@@H+]2CCC[C@](O)(C3CC3)C2)CCC1 ZINC000930997202 619097695 /nfs/dbraw/zinc/09/76/95/619097695.db2.gz DXHPPFGBCJZLCM-QGZVFWFLSA-N 1 1 276.424 3.087 20 30 CGEDMO C#CC1(O)CC[NH+]([C@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000931143442 619116722 /nfs/dbraw/zinc/11/67/22/619116722.db2.gz JBIJMYRKSAGJPO-LLVKDONJSA-N 1 1 281.758 3.000 20 30 CGEDMO CCCCCCCCC[N@H+](C)Cc1nnc(C)n1C ZINC000193803405 619153910 /nfs/dbraw/zinc/15/39/10/619153910.db2.gz FNUHUTXUAGZMTC-UHFFFAOYSA-N 1 1 266.433 3.306 20 30 CGEDMO CCCCCCCCC[N@@H+](C)Cc1nnc(C)n1C ZINC000193803405 619153911 /nfs/dbraw/zinc/15/39/11/619153911.db2.gz FNUHUTXUAGZMTC-UHFFFAOYSA-N 1 1 266.433 3.306 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](NC(=O)c2cc3cc(C)ccc3o2)C1 ZINC001009628502 619182686 /nfs/dbraw/zinc/18/26/86/619182686.db2.gz PALXRRSRIOKLKQ-HNNXBMFYSA-N 1 1 298.386 3.121 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cc3cc(C)ccc3o2)C1 ZINC001009628502 619182689 /nfs/dbraw/zinc/18/26/89/619182689.db2.gz PALXRRSRIOKLKQ-HNNXBMFYSA-N 1 1 298.386 3.121 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC(C)(C)C2)cc1 ZINC000093339842 619186523 /nfs/dbraw/zinc/18/65/23/619186523.db2.gz ARHQKYUXQFDTPA-ZDUSSCGKSA-N 1 1 258.365 3.209 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000932150247 619304152 /nfs/dbraw/zinc/30/41/52/619304152.db2.gz AARULIBNOAHQGK-GOEBONIOSA-N 1 1 254.377 3.342 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000932150252 619304290 /nfs/dbraw/zinc/30/42/90/619304290.db2.gz AARULIBNOAHQGK-ZBFHGGJFSA-N 1 1 254.377 3.342 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2ccccc2OCC(F)F)C1 ZINC000895227721 619786582 /nfs/dbraw/zinc/78/65/82/619786582.db2.gz CSHRBCRZGYXLOI-CYBMUJFWSA-N 1 1 294.345 3.456 20 30 CGEDMO C#C[C@H](C)[NH2+]Cc1cc(Cl)ccc1Br ZINC000166502193 619804948 /nfs/dbraw/zinc/80/49/48/619804948.db2.gz NYRQQILISTUEPI-QMMMGPOBSA-N 1 1 272.573 3.214 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)cs1 ZINC000895403968 619823522 /nfs/dbraw/zinc/82/35/22/619823522.db2.gz HWOPFFMBJMGNCR-GDBMZVCRSA-N 1 1 290.432 3.401 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2c(Cl)n[nH]c2CC)C1 ZINC000895556427 619849787 /nfs/dbraw/zinc/84/97/87/619849787.db2.gz ASAWJFPAZRHTRV-JTQLQIEISA-N 1 1 253.777 3.024 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCCC(F)(F)CC2)cs1 ZINC000895575154 619852152 /nfs/dbraw/zinc/85/21/52/619852152.db2.gz YRMQRUJDHSRLGY-UHFFFAOYSA-N 1 1 256.321 3.241 20 30 CGEDMO COc1cc2c(cc1O)CC[N@@H+](CC(C)(C)CCC#N)C2 ZINC000895889515 619901991 /nfs/dbraw/zinc/90/19/91/619901991.db2.gz WIKGGXGMUGXSSB-UHFFFAOYSA-N 1 1 288.391 3.089 20 30 CGEDMO CN(CCCC[NH+]1CCCCC1)Cc1csc(C#N)c1 ZINC000896028649 619935193 /nfs/dbraw/zinc/93/51/93/619935193.db2.gz UJECFVIMZLLTPY-UHFFFAOYSA-N 1 1 291.464 3.318 20 30 CGEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)C[C@H]2C=CCC2)CC1 ZINC000985249054 620142870 /nfs/dbraw/zinc/14/28/70/620142870.db2.gz ODBSZDCDTVGQTG-AWEZNQCLSA-N 1 1 296.842 3.018 20 30 CGEDMO C#Cc1ccc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c(Cl)c1 ZINC000897136227 620151054 /nfs/dbraw/zinc/15/10/54/620151054.db2.gz MGMBJVUYLIJDQI-YPMHNXCESA-N 1 1 262.784 3.216 20 30 CGEDMO CC#CC[N@H+](C)Cc1ccccc1OCc1ccncc1 ZINC000897166073 620153362 /nfs/dbraw/zinc/15/33/62/620153362.db2.gz IKXHFRXNUHIXLC-UHFFFAOYSA-N 1 1 280.371 3.116 20 30 CGEDMO CC#CC[N@@H+](C)Cc1ccccc1OCc1ccncc1 ZINC000897166073 620153365 /nfs/dbraw/zinc/15/33/65/620153365.db2.gz IKXHFRXNUHIXLC-UHFFFAOYSA-N 1 1 280.371 3.116 20 30 CGEDMO C#CC[N@@H+](Cc1cc2cc(Cl)cnc2o1)C(C)C ZINC000897171097 620155074 /nfs/dbraw/zinc/15/50/74/620155074.db2.gz QCIHGSXPLWYITF-UHFFFAOYSA-N 1 1 262.740 3.325 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)CC(C)(C)C2CC2)CC1 ZINC000985419640 620182601 /nfs/dbraw/zinc/18/26/01/620182601.db2.gz DLCBNGFMHTTWMU-UHFFFAOYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)c2ccsc2C)CC1 ZINC000985425768 620186858 /nfs/dbraw/zinc/18/68/58/620186858.db2.gz NDDIMRGUNDQHRR-UHFFFAOYSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)c2sccc2Cl)CC1 ZINC000985449188 620191521 /nfs/dbraw/zinc/19/15/21/620191521.db2.gz WFMBTUWNBTVIKI-UHFFFAOYSA-N 1 1 298.839 3.124 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)C(C)(C)C2CCC2)CC1 ZINC000985558453 620210361 /nfs/dbraw/zinc/21/03/61/620210361.db2.gz SSZZGPHKBYGXDJ-UHFFFAOYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)C2(C)CC=CC2)CC1 ZINC000985625455 620222964 /nfs/dbraw/zinc/22/29/64/620222964.db2.gz RDIKYKFIIYRFOA-UHFFFAOYSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)c2csc(Cl)c2)CC1 ZINC000985686489 620228981 /nfs/dbraw/zinc/22/89/81/620228981.db2.gz MNSIUMFKWBJYDA-UHFFFAOYSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)[C@H]2C[C@]2(CC)C(C)C)CC1 ZINC000985724799 620232162 /nfs/dbraw/zinc/23/21/62/620232162.db2.gz LHPPOABYOKNZES-SJLPKXTDSA-N 1 1 292.467 3.168 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cs1)Cc1ccc2c(n1)CCC2 ZINC000897624223 620411836 /nfs/dbraw/zinc/41/18/36/620411836.db2.gz CGGNPQYZTNODLO-UHFFFAOYSA-N 1 1 283.400 3.135 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1ccc2c(n1)CCC2 ZINC000897624223 620411839 /nfs/dbraw/zinc/41/18/39/620411839.db2.gz CGGNPQYZTNODLO-UHFFFAOYSA-N 1 1 283.400 3.135 20 30 CGEDMO CC(C)(C)c1coc(C[NH2+][C@H]2CCC[C@H](C#N)C2)n1 ZINC000897945020 620453220 /nfs/dbraw/zinc/45/32/20/620453220.db2.gz WJMWJGANINSCEI-RYUDHWBXSA-N 1 1 261.369 3.144 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCN(c2ccccc2)[C@H](C)C1 ZINC000898067519 620473811 /nfs/dbraw/zinc/47/38/11/620473811.db2.gz GHUGNQPTUZEFDQ-HZPDHXFCSA-N 1 1 271.408 3.137 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1ccc(-n2cncn2)cc1 ZINC000898245361 620496340 /nfs/dbraw/zinc/49/63/40/620496340.db2.gz ATUAHENAZJCQOR-UHFFFAOYSA-N 1 1 270.380 3.055 20 30 CGEDMO CCOc1ccc(CC[N@@H+](C)C[C@H](C)CCC#N)cc1 ZINC000898346808 620513046 /nfs/dbraw/zinc/51/30/46/620513046.db2.gz FPWZNIOAXLJTMA-OAHLLOKOSA-N 1 1 274.408 3.499 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000929159689 620516079 /nfs/dbraw/zinc/51/60/79/620516079.db2.gz OHOOWPHXCGIADY-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1cncc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000929159689 620516083 /nfs/dbraw/zinc/51/60/83/620516083.db2.gz OHOOWPHXCGIADY-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO C=CCC[N@H+]1CCCN(C(=O)c2ccc(C3CC3)cc2)CC1 ZINC000989713148 620521955 /nfs/dbraw/zinc/52/19/55/620521955.db2.gz RKRGFTXZIMBCOC-UHFFFAOYSA-N 1 1 298.430 3.288 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)CC3=CCCCC3)CCC[C@H]12 ZINC000990054044 620535329 /nfs/dbraw/zinc/53/53/29/620535329.db2.gz ITMLNYIHNGKQQL-FUHWJXTLSA-N 1 1 288.435 3.176 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)CC3=CCCCC3)CCC[C@@H]12 ZINC000990054045 620535453 /nfs/dbraw/zinc/53/54/53/620535453.db2.gz ITMLNYIHNGKQQL-SJLPKXTDSA-N 1 1 288.435 3.176 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)C3CC(C)C3)CCC[C@@H]12 ZINC000990178480 620538037 /nfs/dbraw/zinc/53/80/37/620538037.db2.gz YPXYCGWBCJUTAT-IOTAOYMUSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)C3=CCCCCC3)CCC[C@@H]12 ZINC000990415269 620544496 /nfs/dbraw/zinc/54/44/96/620544496.db2.gz GSQCBDYCWMTXMS-AEFFLSMTSA-N 1 1 288.435 3.176 20 30 CGEDMO C[N@@H+](CCSCc1cc(C#N)ccn1)Cc1ccccc1 ZINC000901543903 620932414 /nfs/dbraw/zinc/93/24/14/620932414.db2.gz BUAUNGUYIYTHCO-UHFFFAOYSA-N 1 1 297.427 3.318 20 30 CGEDMO CCCc1[nH+]ccn1Cc1c(C)cc(C#N)cc1C ZINC000902297840 621243302 /nfs/dbraw/zinc/24/33/02/621243302.db2.gz OSXQOEYCVIGNLT-UHFFFAOYSA-N 1 1 253.349 3.372 20 30 CGEDMO Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902860762 621478534 /nfs/dbraw/zinc/47/85/34/621478534.db2.gz PBVMGYWDWZNMBS-DYVFJYSZSA-N 1 1 293.370 3.354 20 30 CGEDMO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cc(C#N)ccn1 ZINC000902919085 621491215 /nfs/dbraw/zinc/49/12/15/621491215.db2.gz BNOSFANQKCHYHG-ZDUSSCGKSA-N 1 1 288.354 3.165 20 30 CGEDMO CC[C@H](N[C@H](C)C[N@H+](C)C(C)C)c1cccc(C#N)c1 ZINC000902992019 621513476 /nfs/dbraw/zinc/51/34/76/621513476.db2.gz FMVYWQGJKQKVQD-PBHICJAKSA-N 1 1 273.424 3.328 20 30 CGEDMO CC[C@H](N[C@H](C)C[N@@H+](C)C(C)C)c1cccc(C#N)c1 ZINC000902992019 621513479 /nfs/dbraw/zinc/51/34/79/621513479.db2.gz FMVYWQGJKQKVQD-PBHICJAKSA-N 1 1 273.424 3.328 20 30 CGEDMO COCc1cc([C@@H](C)[NH2+]CC2(C#N)CCC2)ccc1OC ZINC000903032155 621535587 /nfs/dbraw/zinc/53/55/87/621535587.db2.gz QTCIQVJYNWXQCI-CYBMUJFWSA-N 1 1 288.391 3.186 20 30 CGEDMO C#C[C@H](C)Nc1[nH+]cnc2c1c(C)c(C)n2Cc1ccco1 ZINC000185959644 625497528 /nfs/dbraw/zinc/49/75/28/625497528.db2.gz CLWZNFQLVKVOJW-NSHDSACASA-N 1 1 294.358 3.123 20 30 CGEDMO Cc1ccc(C[NH2+][C@H](C)c2cc(C#N)ccn2)cc1[N+](=O)[O-] ZINC000903080038 621561215 /nfs/dbraw/zinc/56/12/15/621561215.db2.gz HZWZKZYYDRAASD-GFCCVEGCSA-N 1 1 296.330 3.021 20 30 CGEDMO CC(C)(C#N)C[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000903100043 621573355 /nfs/dbraw/zinc/57/33/55/621573355.db2.gz HIROWNNJMNHVIY-ZDUSSCGKSA-N 1 1 262.328 3.179 20 30 CGEDMO CCc1nc2c(s1)[C@H]([NH2+]CC(C)(C)C#N)CCC2 ZINC000903100525 621573562 /nfs/dbraw/zinc/57/35/62/621573562.db2.gz READHACNQMFYJX-SNVBAGLBSA-N 1 1 263.410 3.222 20 30 CGEDMO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1cccc(C#N)c1 ZINC000903102733 621575427 /nfs/dbraw/zinc/57/54/27/621575427.db2.gz BLMJOESUEKMPCZ-ZEIDCXACSA-N 1 1 295.430 3.367 20 30 CGEDMO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1cccc(C#N)c1 ZINC000903102733 621575434 /nfs/dbraw/zinc/57/54/34/621575434.db2.gz BLMJOESUEKMPCZ-ZEIDCXACSA-N 1 1 295.430 3.367 20 30 CGEDMO COc1ccc([C@@H](C)[NH2+]CC2(C#N)CC2)cc1Cl ZINC000903102183 621575530 /nfs/dbraw/zinc/57/55/30/621575530.db2.gz TZWWUCJJYWNPLE-SNVBAGLBSA-N 1 1 264.756 3.303 20 30 CGEDMO C[C@H]([NH2+]CC(C)(C)C#N)c1cc(-c2ccccc2)nn1C ZINC000903102243 621576011 /nfs/dbraw/zinc/57/60/11/621576011.db2.gz VIKKLIVKZOGSMH-ZDUSSCGKSA-N 1 1 282.391 3.287 20 30 CGEDMO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CC1(C#N)CC1 ZINC000903106383 621580094 /nfs/dbraw/zinc/58/00/94/621580094.db2.gz OSZBHVYVQSOIOR-NSHDSACASA-N 1 1 298.415 3.468 20 30 CGEDMO CC(=O)N1CC[C@H]([NH2+]CC2(C#N)CCCC2)c2ccccc21 ZINC000903109542 621582645 /nfs/dbraw/zinc/58/26/45/621582645.db2.gz QXTRVHHCBRYPSA-INIZCTEOSA-N 1 1 297.402 3.158 20 30 CGEDMO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2c3ccccc3OC[C@@H]2F)C1 ZINC000903270399 621656520 /nfs/dbraw/zinc/65/65/20/621656520.db2.gz DLBPPMBQSCZKDD-DSPQJCBJSA-N 1 1 274.339 3.130 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2cscc2C)no1 ZINC000904694308 621959041 /nfs/dbraw/zinc/95/90/41/621959041.db2.gz CXGATOQOHZBPFS-LLVKDONJSA-N 1 1 263.366 3.463 20 30 CGEDMO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@@H](C#N)C3)c2c1 ZINC000905718881 622098575 /nfs/dbraw/zinc/09/85/75/622098575.db2.gz GSXVRMAHMBFKJX-ZDUSSCGKSA-N 1 1 296.370 3.290 20 30 CGEDMO COc1ccc2ccc(O)c(C[N@H+]3CCC[C@@H](C#N)C3)c2c1 ZINC000905718881 622098579 /nfs/dbraw/zinc/09/85/79/622098579.db2.gz GSXVRMAHMBFKJX-ZDUSSCGKSA-N 1 1 296.370 3.290 20 30 CGEDMO C[C@H]1CCC[N@H+](Cc2cc(C#N)cnc2Cl)CC1 ZINC000876642994 622800053 /nfs/dbraw/zinc/80/00/53/622800053.db2.gz QPONXERDGLSGJA-NSHDSACASA-N 1 1 263.772 3.229 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2cc(C#N)cnc2Cl)CC1 ZINC000876642994 622800057 /nfs/dbraw/zinc/80/00/57/622800057.db2.gz QPONXERDGLSGJA-NSHDSACASA-N 1 1 263.772 3.229 20 30 CGEDMO C=CCc1cc(C[N@@H+]2CC[C@@H](CC)C2)c(O)c(OC)c1 ZINC000164476588 622837275 /nfs/dbraw/zinc/83/72/75/622837275.db2.gz UAALOJHDMHGNSA-CYBMUJFWSA-N 1 1 275.392 3.361 20 30 CGEDMO Cc1cccc([C@@H]2CC[N@@H+](Cc3cccc(C#N)n3)C2)c1 ZINC000602608549 623075313 /nfs/dbraw/zinc/07/53/13/623075313.db2.gz NQICCNDXQIEUGD-MRXNPFEDSA-N 1 1 277.371 3.251 20 30 CGEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+](C)CCC(C)C ZINC000172608403 623265469 /nfs/dbraw/zinc/26/54/69/623265469.db2.gz FPGCTDUKIPQHEI-UHFFFAOYSA-N 1 1 297.406 3.061 20 30 CGEDMO N#CC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000929502801 623427879 /nfs/dbraw/zinc/42/78/79/623427879.db2.gz XIGYTMDCUXJPKY-RISCZKNCSA-N 1 1 298.308 3.117 20 30 CGEDMO N#CC[C@@H](O)C[N@H+]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000929502801 623427888 /nfs/dbraw/zinc/42/78/88/623427888.db2.gz XIGYTMDCUXJPKY-RISCZKNCSA-N 1 1 298.308 3.117 20 30 CGEDMO CC(C)Oc1ncccc1C[NH2+]Cc1csc(C#N)c1 ZINC000921538708 625655280 /nfs/dbraw/zinc/65/52/80/625655280.db2.gz XDBUPJMOVZNNKS-UHFFFAOYSA-N 1 1 287.388 3.092 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3ccc(C)c(C)c3)CCC[C@H]12 ZINC000992474306 623584587 /nfs/dbraw/zinc/58/45/87/623584587.db2.gz ZYUKZNOHYMVYKL-PKOBYXMFSA-N 1 1 298.430 3.216 20 30 CGEDMO CC[NH+](C)C[C@H]1CC[N@H+](CCCCC2(C#N)CCC2)C1 ZINC000929791587 623648273 /nfs/dbraw/zinc/64/82/73/623648273.db2.gz UBKDRMBMYPUGDF-MRXNPFEDSA-N 1 1 277.456 3.124 20 30 CGEDMO CC[NH+](C)C[C@H]1CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000929791587 623648278 /nfs/dbraw/zinc/64/82/78/623648278.db2.gz UBKDRMBMYPUGDF-MRXNPFEDSA-N 1 1 277.456 3.124 20 30 CGEDMO CC[N@H+](C)C[C@H]1CCN(CCCCC2(C#N)CCC2)C1 ZINC000929791587 623648285 /nfs/dbraw/zinc/64/82/85/623648285.db2.gz UBKDRMBMYPUGDF-MRXNPFEDSA-N 1 1 277.456 3.124 20 30 CGEDMO CC[N@@H+](C)C[C@H]1CCN(CCCCC2(C#N)CCC2)C1 ZINC000929791587 623648292 /nfs/dbraw/zinc/64/82/92/623648292.db2.gz UBKDRMBMYPUGDF-MRXNPFEDSA-N 1 1 277.456 3.124 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccccc2C)[C@H]1C ZINC000992988636 623773103 /nfs/dbraw/zinc/77/31/03/623773103.db2.gz DNTGPXAPIFLXST-WBVHZDCISA-N 1 1 286.419 3.154 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CC2CCCC2)[C@H]1C ZINC000992989887 623775185 /nfs/dbraw/zinc/77/51/85/623775185.db2.gz UQPOXSWARRJBJI-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2ccoc2C)[C@@H]1C ZINC000993031981 623797996 /nfs/dbraw/zinc/79/79/96/623797996.db2.gz HDWFZRFFVKCNGL-BBRMVZONSA-N 1 1 290.407 3.137 20 30 CGEDMO CC(=[NH+]N[C@H](C)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000834996884 623845532 /nfs/dbraw/zinc/84/55/32/623845532.db2.gz XEUIUHFJSOKJMH-SNVBAGLBSA-N 1 1 273.302 3.017 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cscc2C)[C@H]1C ZINC000993206758 623957444 /nfs/dbraw/zinc/95/74/44/623957444.db2.gz NQWDCAKRCRZKAL-UKRRQHHQSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2cc(C)c(C)o2)[C@H]1C ZINC000993210242 623966293 /nfs/dbraw/zinc/96/62/93/623966293.db2.gz URODSKFUPCWZDY-HIFRSBDPSA-N 1 1 290.407 3.055 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccoc2CC)[C@H]1C ZINC000993271836 623997874 /nfs/dbraw/zinc/99/78/74/623997874.db2.gz XNPHIFGNHPQZMJ-HIFRSBDPSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)c2sccc2Cl)[C@@H]1C ZINC000993354941 624035234 /nfs/dbraw/zinc/03/52/34/624035234.db2.gz GEQVFIWVUMYXCL-CMPLNLGQSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2Cl)[C@@H]1C ZINC000993354941 624035239 /nfs/dbraw/zinc/03/52/39/624035239.db2.gz GEQVFIWVUMYXCL-CMPLNLGQSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C2CCCC2)[C@@H]1C ZINC000993444737 624050841 /nfs/dbraw/zinc/05/08/41/624050841.db2.gz QLJGMVQDKYAEDQ-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cscc2Cl)[C@H]1C ZINC000993468016 624051970 /nfs/dbraw/zinc/05/19/70/624051970.db2.gz URQQLPKMYLPJOD-ZWNOBZJWSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC)s2)[C@@H]1C ZINC000993551280 624054563 /nfs/dbraw/zinc/05/45/63/624054563.db2.gz ATYRNRMOFNOYTO-JSGCOSHPSA-N 1 1 292.448 3.079 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2occc2Cl)[C@@H]1C ZINC000993777624 624062857 /nfs/dbraw/zinc/06/28/57/624062857.db2.gz QXRJAEWXNIMRFR-WCQYABFASA-N 1 1 296.798 3.092 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccoc2CCC)[C@H]1C ZINC000994227651 624071545 /nfs/dbraw/zinc/07/15/45/624071545.db2.gz HYOQVPLEQDAJPR-HIFRSBDPSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCCC(C)(C)C2)C1 ZINC001015994299 625702712 /nfs/dbraw/zinc/70/27/12/625702712.db2.gz FKIIZPWPFDPQPV-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(C)cc2)[C@H]1C ZINC000994274043 624196894 /nfs/dbraw/zinc/19/68/94/624196894.db2.gz GUNOVKHGBHWEFO-WBVHZDCISA-N 1 1 286.419 3.154 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(Cl)c2)[C@H]1C ZINC000994287311 624202827 /nfs/dbraw/zinc/20/28/27/624202827.db2.gz OOXICQXCAQXTGZ-IUODEOHRSA-N 1 1 292.810 3.109 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2coc3ccccc23)[C@H]1C ZINC000994521635 624268796 /nfs/dbraw/zinc/26/87/96/624268796.db2.gz ASGQRMWQYNWCHM-CJNGLKHVSA-N 1 1 298.386 3.202 20 30 CGEDMO C#CCCC[N@H+](C)Cc1cc(Br)ccc1F ZINC000766894848 624378932 /nfs/dbraw/zinc/37/89/32/624378932.db2.gz HCTXRVDYVJEEHM-UHFFFAOYSA-N 1 1 284.172 3.433 20 30 CGEDMO C#CCCC[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000766902060 624394572 /nfs/dbraw/zinc/39/45/72/624394572.db2.gz CNHSZLMZNHESOG-SJORKVTESA-N 1 1 252.361 3.172 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000930098586 624423659 /nfs/dbraw/zinc/42/36/59/624423659.db2.gz WWIWHMQKQXVIMH-GOSISDBHSA-N 1 1 298.430 3.424 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@H]2CCC)CC1 ZINC001000880817 625883306 /nfs/dbraw/zinc/88/33/06/625883306.db2.gz XCKIHPYIHZGLDE-IAGOWNOFSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCC[C@H]2C)CC1 ZINC001001101825 625889715 /nfs/dbraw/zinc/88/97/15/625889715.db2.gz XNKCRQXSFYQSJZ-NVXWUHKLSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCCC[C@@H]2C)CC1 ZINC001001101827 625889754 /nfs/dbraw/zinc/88/97/54/625889754.db2.gz XNKCRQXSFYQSJZ-RDJZCZTQSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCC[C@@H]2CC)CC1 ZINC001001325965 625895697 /nfs/dbraw/zinc/89/56/97/625895697.db2.gz LJPIGUJWGHHXKP-DLBZAZTESA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@]2(C)CCC(C)=C(C)C2)C1 ZINC001016370970 625975614 /nfs/dbraw/zinc/97/56/14/625975614.db2.gz GKJSHUZAMHOPHA-SJLPKXTDSA-N 1 1 290.451 3.280 20 30 CGEDMO COc1cccc(OC)c1C[NH2+]Cc1ccc(C)c(C#N)c1 ZINC000922758678 626043239 /nfs/dbraw/zinc/04/32/39/626043239.db2.gz GWEBLZKVHLUOIU-UHFFFAOYSA-N 1 1 296.370 3.174 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2(C)CC2)CC1 ZINC001004444393 626057821 /nfs/dbraw/zinc/05/78/21/626057821.db2.gz XBXADQQUYRRYSS-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC([C@H]2CCC[N@@H+]2CC)CC1 ZINC001004540518 626065029 /nfs/dbraw/zinc/06/50/29/626065029.db2.gz RJKWNKLBJCMKIP-SJLPKXTDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC([C@H]3CCC[N@@H+]3CC)CC2)C1 ZINC001004539211 626065704 /nfs/dbraw/zinc/06/57/04/626065704.db2.gz IGUHWRPERPEFLH-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO Cc1nc2c(o1)CCC[C@H]2[NH2+]Cc1ccc(OCC#N)cc1 ZINC000925367204 626085521 /nfs/dbraw/zinc/08/55/21/626085521.db2.gz JFWVPQTULUMCGJ-OAHLLOKOSA-N 1 1 297.358 3.053 20 30 CGEDMO N#Cc1ccc(F)c(C[NH2+]Cc2ccccc2F)c1 ZINC000020053096 634477027 /nfs/dbraw/zinc/47/70/27/634477027.db2.gz LNWZIUUBPVOCOH-UHFFFAOYSA-N 1 1 258.271 3.126 20 30 CGEDMO C=CC[N@H+](C/C=C(/C)COC)Cc1cccc(C#N)c1 ZINC000929363751 626133469 /nfs/dbraw/zinc/13/34/69/626133469.db2.gz KCWFMYIKXLKHCM-NVNXTCNLSA-N 1 1 270.376 3.139 20 30 CGEDMO C=CCCCC(=O)OC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000842829565 626227275 /nfs/dbraw/zinc/22/72/75/626227275.db2.gz FYMHRRPMXCZWGR-CQSZACIVSA-N 1 1 253.386 3.006 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(C)nc1Cl)C1CCCC1 ZINC000838868608 626273206 /nfs/dbraw/zinc/27/32/06/626273206.db2.gz FBHPBOCVIFGGKY-UHFFFAOYSA-N 1 1 262.784 3.421 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C)nc1Cl)C1CCCC1 ZINC000838868608 626273211 /nfs/dbraw/zinc/27/32/11/626273211.db2.gz FBHPBOCVIFGGKY-UHFFFAOYSA-N 1 1 262.784 3.421 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[NH+]2CC(CC(F)(F)F)C2)cc1 ZINC000839137996 626322350 /nfs/dbraw/zinc/32/23/50/626322350.db2.gz KNWOMEDFEHROPF-NSHDSACASA-N 1 1 298.308 3.362 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000753586077 626457148 /nfs/dbraw/zinc/45/71/48/626457148.db2.gz GCKKHFBOMZSILH-GOSISDBHSA-N 1 1 296.418 3.162 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000753586077 626457149 /nfs/dbraw/zinc/45/71/49/626457149.db2.gz GCKKHFBOMZSILH-GOSISDBHSA-N 1 1 296.418 3.162 20 30 CGEDMO Cc1ccc(C)c(N=NC2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000753956989 626470153 /nfs/dbraw/zinc/47/01/53/626470153.db2.gz ZEBQXUOYVHEWRF-CYBMUJFWSA-N 1 1 257.381 3.328 20 30 CGEDMO Cc1cc(C)cc(N=NC2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000753955650 626470184 /nfs/dbraw/zinc/47/01/84/626470184.db2.gz PGSCIPJCJNDCMX-ZDUSSCGKSA-N 1 1 257.381 3.328 20 30 CGEDMO C[C@H]1CC(=NO[C@H]2CCCCO2)C[N@@H+]1Cc1ccccc1 ZINC000755822717 626651374 /nfs/dbraw/zinc/65/13/74/626651374.db2.gz IGPJBRIXVJPXNT-YOEHRIQHSA-N 1 1 288.391 3.180 20 30 CGEDMO C[C@H]1CC(=NO[C@H]2CCCCO2)C[N@H+]1Cc1ccccc1 ZINC000755822717 626651375 /nfs/dbraw/zinc/65/13/75/626651375.db2.gz IGPJBRIXVJPXNT-YOEHRIQHSA-N 1 1 288.391 3.180 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)CC[C@@H](C)c1ccccc1 ZINC000756544881 626714125 /nfs/dbraw/zinc/71/41/25/626714125.db2.gz SERNVMYNOGTESJ-SJLPKXTDSA-N 1 1 299.414 3.211 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000839669049 626777270 /nfs/dbraw/zinc/77/72/70/626777270.db2.gz BQUHJXGFLZYFLX-HNNXBMFYSA-N 1 1 279.424 3.234 20 30 CGEDMO CC(C)(C)OC(=O)C1([NH2+]CCCCC#N)CCCCC1 ZINC000759240681 626882287 /nfs/dbraw/zinc/88/22/87/626882287.db2.gz VDYQFGPPZRTRFS-UHFFFAOYSA-N 1 1 280.412 3.314 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)CC1(C)C ZINC000759924689 626931184 /nfs/dbraw/zinc/93/11/84/626931184.db2.gz YWBJCMTYHGGTMC-AWEZNQCLSA-N 1 1 272.392 3.457 20 30 CGEDMO C[C@H]1CC(N=Nc2ccccc2C(F)(F)F)C[N@H+]1C ZINC000761795375 627060736 /nfs/dbraw/zinc/06/07/36/627060736.db2.gz ZLBCVPGAHSLAAO-VIFPVBQESA-N 1 1 271.286 3.197 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OCCC)c(OCC)c1)C1CC1 ZINC000764676179 627217605 /nfs/dbraw/zinc/21/76/05/627217605.db2.gz GDEHZCAVPNDQEZ-UHFFFAOYSA-N 1 1 287.403 3.472 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OC)c(O[C@H](C)CC)c1)C1CC1 ZINC000764676052 627217641 /nfs/dbraw/zinc/21/76/41/627217641.db2.gz DXRZWFLOLFSMGP-CQSZACIVSA-N 1 1 287.403 3.470 20 30 CGEDMO CC#CCC[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 ZINC000764980951 627235061 /nfs/dbraw/zinc/23/50/61/627235061.db2.gz UZLQBWNYDDZYJS-CABCVRRESA-N 1 1 294.439 3.025 20 30 CGEDMO C#CCOc1ccc([C@H](C)N[C@@H](C)C[NH+](CC)CC)cc1 ZINC000765769424 627269886 /nfs/dbraw/zinc/26/98/86/627269886.db2.gz UUHMIHLKYCVTFI-HOTGVXAUSA-N 1 1 288.435 3.080 20 30 CGEDMO C=CCCCC(=O)OC[C@H]1CCC[N@H+]1Cc1ccco1 ZINC000765965706 627282491 /nfs/dbraw/zinc/28/24/91/627282491.db2.gz CLVIYVHVWSFSSQ-CQSZACIVSA-N 1 1 277.364 3.144 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767876634 627440981 /nfs/dbraw/zinc/44/09/81/627440981.db2.gz LHJBIKGEHHMQIE-GFCCVEGCSA-N 1 1 253.267 3.128 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000768136702 627462383 /nfs/dbraw/zinc/46/23/83/627462383.db2.gz CDUYVUBTVAWGLR-OAHLLOKOSA-N 1 1 257.377 3.321 20 30 CGEDMO C#CCOc1ccccc1C[N@H+](C)Cc1ccsc1 ZINC000768204215 627467694 /nfs/dbraw/zinc/46/76/94/627467694.db2.gz SGFFNHUYERVDER-UHFFFAOYSA-N 1 1 271.385 3.392 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+](C)Cc1ccsc1 ZINC000768204215 627467697 /nfs/dbraw/zinc/46/76/97/627467697.db2.gz SGFFNHUYERVDER-UHFFFAOYSA-N 1 1 271.385 3.392 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000768360252 627475857 /nfs/dbraw/zinc/47/58/57/627475857.db2.gz MCBNIGCYRYLOGG-SFHVURJKSA-N 1 1 292.382 3.431 20 30 CGEDMO C#CC[N@H+](CC)Cc1cc(C)c(OC(F)F)c(C)c1 ZINC000769107173 627523357 /nfs/dbraw/zinc/52/33/57/627523357.db2.gz UNRGETBGIRNFTO-UHFFFAOYSA-N 1 1 267.319 3.360 20 30 CGEDMO C#CC[N@@H+](Cc1cnn2ccccc12)C1CCCCC1 ZINC000769146430 627525925 /nfs/dbraw/zinc/52/59/25/627525925.db2.gz YLLIMZWSMYNTPI-UHFFFAOYSA-N 1 1 267.376 3.102 20 30 CGEDMO C#CC[N@H+](Cc1coc(C2CC2)n1)C1CCCCC1 ZINC000769146286 627526024 /nfs/dbraw/zinc/52/60/24/627526024.db2.gz RJLZCCBLFGKLKZ-UHFFFAOYSA-N 1 1 258.365 3.320 20 30 CGEDMO C#CC[N@@H+](Cc1coc(C2CC2)n1)C1CCCCC1 ZINC000769146286 627526027 /nfs/dbraw/zinc/52/60/27/627526027.db2.gz RJLZCCBLFGKLKZ-UHFFFAOYSA-N 1 1 258.365 3.320 20 30 CGEDMO Cc1[nH+]ccn1CCCON=Cc1ccc(Cl)cc1 ZINC000769560023 627566753 /nfs/dbraw/zinc/56/67/53/627566753.db2.gz ZSNHWEUZXLOSHR-UHFFFAOYSA-N 1 1 277.755 3.286 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)CCc1cccc(OC(F)(F)F)c1 ZINC000769961001 627593086 /nfs/dbraw/zinc/59/30/86/627593086.db2.gz KLWHRXCZEIOMBF-NSHDSACASA-N 1 1 271.282 3.081 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(Cl)c2cccnc12 ZINC000769975682 627593731 /nfs/dbraw/zinc/59/37/31/627593731.db2.gz HBGNWYDBNMYRBD-LLVKDONJSA-N 1 1 258.752 3.342 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(Br)cc1C ZINC000769978097 627594481 /nfs/dbraw/zinc/59/44/81/627594481.db2.gz PYFXZJMUCTWAGC-NSHDSACASA-N 1 1 266.182 3.211 20 30 CGEDMO C[C@H](C#N)CNN=C1CCCC[C@H]1[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000771103413 627682839 /nfs/dbraw/zinc/68/28/39/627682839.db2.gz MAXKTWPUVYXUPW-JYYAWHABSA-N 1 1 290.455 3.012 20 30 CGEDMO C=CC[N@@H+](Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C1CC1 ZINC000771639694 627724931 /nfs/dbraw/zinc/72/49/31/627724931.db2.gz JHCJHRDTPOMMMI-UHFFFAOYSA-N 1 1 298.346 3.066 20 30 CGEDMO C=CC[N@H+](Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1)C1CC1 ZINC000771639694 627724933 /nfs/dbraw/zinc/72/49/33/627724933.db2.gz JHCJHRDTPOMMMI-UHFFFAOYSA-N 1 1 298.346 3.066 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1OC ZINC000773005614 627840662 /nfs/dbraw/zinc/84/06/62/627840662.db2.gz SHERYECFCJGAQD-JTQLQIEISA-N 1 1 282.771 3.057 20 30 CGEDMO C#CCCCCC(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000773290555 627871143 /nfs/dbraw/zinc/87/11/43/627871143.db2.gz PLJGZCXDJUDEHV-IXDOHACOSA-N 1 1 290.451 3.044 20 30 CGEDMO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@H](C)c1cccc(C#N)c1 ZINC000774042811 627939954 /nfs/dbraw/zinc/93/99/54/627939954.db2.gz BPYHSUMFIPKSMB-CJNGLKHVSA-N 1 1 286.375 3.037 20 30 CGEDMO CC[N@H+]1CCCC[C@H]1C(=O)O[C@H](C)c1cccc(C#N)c1 ZINC000774042811 627939957 /nfs/dbraw/zinc/93/99/57/627939957.db2.gz BPYHSUMFIPKSMB-CJNGLKHVSA-N 1 1 286.375 3.037 20 30 CGEDMO CCOCCC[N@H+]1CCC(=NNCC(CC)CC)[C@H](C)C1 ZINC000774465204 627994355 /nfs/dbraw/zinc/99/43/55/627994355.db2.gz UDAMMGFAVPQCHG-OAHLLOKOSA-N 1 1 297.487 3.137 20 30 CGEDMO C#CC[C@H]([NH2+]Cc1ccsc1C(=O)OC)c1ccccc1 ZINC000775400679 628091622 /nfs/dbraw/zinc/09/16/22/628091622.db2.gz RHDDXUSIUTXUFR-HNNXBMFYSA-N 1 1 299.395 3.389 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@H]1CCC(C)(C)O1 ZINC000775587298 628111596 /nfs/dbraw/zinc/11/15/96/628111596.db2.gz XQCAEMYOLKDCEO-MRXNPFEDSA-N 1 1 275.367 3.219 20 30 CGEDMO C=CC[C@H](C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C)c1ccccc1 ZINC000874833364 634629997 /nfs/dbraw/zinc/62/99/97/634629997.db2.gz KTEJJAVXANCWAM-BZSNNMDCSA-N 1 1 298.430 3.041 20 30 CGEDMO CCC[C@@H](C)C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000775744437 628132037 /nfs/dbraw/zinc/13/20/37/628132037.db2.gz LLHMNYWORDGKHL-RHSMWYFYSA-N 1 1 272.392 3.368 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CCOC[C@]2(C)CC)cc1 ZINC000775981335 628154829 /nfs/dbraw/zinc/15/48/29/628154829.db2.gz PIKVHKUKSHFDBC-SFHVURJKSA-N 1 1 287.403 3.090 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CC[C@H](C)[C@H](F)C2)cc1 ZINC000779151231 628391102 /nfs/dbraw/zinc/39/11/02/628391102.db2.gz VWQOBJXSLLMJBH-WMLDXEAASA-N 1 1 275.367 3.269 20 30 CGEDMO Fc1ccc(-c2nc(C=NNc3cc[nH+]cc3)cs2)cc1 ZINC000779808874 628433351 /nfs/dbraw/zinc/43/33/51/628433351.db2.gz PKGWNNBAOGRXQR-UHFFFAOYSA-N 1 1 298.346 3.212 20 30 CGEDMO Cc1ccc(-c2nc(C=NNc3cc[nH+]cc3)cs2)cc1 ZINC000779808207 628433367 /nfs/dbraw/zinc/43/33/67/628433367.db2.gz DIWVLQZRITXKOS-UHFFFAOYSA-N 1 1 294.383 3.381 20 30 CGEDMO CC(=NNc1cc[nH+]cc1)c1ccc(-c2ccncc2)cc1 ZINC000779809369 628433410 /nfs/dbraw/zinc/43/34/10/628433410.db2.gz XTPSIVSCPLYONR-UHFFFAOYSA-N 1 1 288.354 3.402 20 30 CGEDMO CC(=NNc1cc[nH+]cc1)c1ccccc1Br ZINC000779809757 628434030 /nfs/dbraw/zinc/43/40/30/628434030.db2.gz PMYCFCOLJIQJQB-UHFFFAOYSA-N 1 1 290.164 3.102 20 30 CGEDMO C=CCCC(=O)OCCCc1[nH+]cc(C)c(OC)c1C ZINC000780602956 628504548 /nfs/dbraw/zinc/50/45/48/628504548.db2.gz BYGDZIVEAFEPRO-UHFFFAOYSA-N 1 1 277.364 3.149 20 30 CGEDMO CC[C@H]1C[C@@H](C[N@@H+](CCC#N)CC(C)C)CCO1 ZINC000780755533 628514732 /nfs/dbraw/zinc/51/47/32/628514732.db2.gz WPLAFOUBBSEHMA-GJZGRUSLSA-N 1 1 252.402 3.063 20 30 CGEDMO C=CCCC(=O)O[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000781040665 628531632 /nfs/dbraw/zinc/53/16/32/628531632.db2.gz WZQOZZBJTPAVQE-RDJZCZTQSA-N 1 1 287.403 3.406 20 30 CGEDMO CCOCOc1ccc(C[N@H+](CCC#N)C(C)C)cc1 ZINC000783421386 628709916 /nfs/dbraw/zinc/70/99/16/628709916.db2.gz UMVQPACLLPJCKL-UHFFFAOYSA-N 1 1 276.380 3.183 20 30 CGEDMO CCOCOc1ccc(C[N@@H+](CCC#N)C(C)C)cc1 ZINC000783421386 628709918 /nfs/dbraw/zinc/70/99/18/628709918.db2.gz UMVQPACLLPJCKL-UHFFFAOYSA-N 1 1 276.380 3.183 20 30 CGEDMO C#CC[N@H+](CCc1cccc(F)c1F)C1CCCC1 ZINC000784165902 628790072 /nfs/dbraw/zinc/79/00/72/628790072.db2.gz YRSNKYUPRQGAQU-UHFFFAOYSA-N 1 1 263.331 3.385 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000784571716 628822581 /nfs/dbraw/zinc/82/25/81/628822581.db2.gz KSEWAMAQAKEKRD-GJZGRUSLSA-N 1 1 267.413 3.206 20 30 CGEDMO C#CCC[N@H+](C)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000805791406 628902090 /nfs/dbraw/zinc/90/20/90/628902090.db2.gz MDWUYKSALHVTHB-CVEARBPZSA-N 1 1 257.377 3.188 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(=O)oc2cc(OC)ccc12 ZINC000785999707 628907535 /nfs/dbraw/zinc/90/75/35/628907535.db2.gz YNLFHVMUBCLWHX-AWEZNQCLSA-N 1 1 299.370 3.342 20 30 CGEDMO C=CC[N@H+]1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000805826816 628983165 /nfs/dbraw/zinc/98/31/65/628983165.db2.gz KNYIUQCTLYGIFL-OAHLLOKOSA-N 1 1 280.412 3.086 20 30 CGEDMO C#CC[N@H+](CCOCC(F)(F)C(F)F)C1CCCCC1 ZINC000787198641 629001748 /nfs/dbraw/zinc/00/17/48/629001748.db2.gz LZWFTAHPGTTYOO-UHFFFAOYSA-N 1 1 295.320 3.171 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CC[C@H](C(C)(C)C)C[C@@H]1C ZINC000805838778 629013387 /nfs/dbraw/zinc/01/33/87/629013387.db2.gz HHOMCGSVAZWTOJ-MJBXVCDLSA-N 1 1 252.402 3.062 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788467954 629056291 /nfs/dbraw/zinc/05/62/91/629056291.db2.gz BSNLGRXSJQHVOL-UHFFFAOYSA-N 1 1 299.305 3.238 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788467954 629056294 /nfs/dbraw/zinc/05/62/94/629056294.db2.gz BSNLGRXSJQHVOL-UHFFFAOYSA-N 1 1 299.305 3.238 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)CCc1cccc(Cl)c1Cl ZINC000789309555 629122805 /nfs/dbraw/zinc/12/28/05/629122805.db2.gz UNCIGELIGCXZAL-SNVBAGLBSA-N 1 1 256.176 3.489 20 30 CGEDMO CC[C@@H](C)NN=C1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000790181972 629189854 /nfs/dbraw/zinc/18/98/54/629189854.db2.gz BALOQUFHYOOBEZ-HUUCEWRRSA-N 1 1 273.424 3.273 20 30 CGEDMO C[N@H+](CC#Cc1ccccc1)CCc1ccccc1F ZINC000792222509 629350346 /nfs/dbraw/zinc/35/03/46/629350346.db2.gz UXRLYFGEJHKASW-UHFFFAOYSA-N 1 1 267.347 3.352 20 30 CGEDMO C#CC[N@H+](C)[C@@H]1CCCc2ccc(Br)cc21 ZINC000792302143 629354880 /nfs/dbraw/zinc/35/48/80/629354880.db2.gz NQKLGIKTQQCLPW-CQSZACIVSA-N 1 1 278.193 3.392 20 30 CGEDMO CN(CCC#N)c1ccc(Cn2c[nH+]c3c2CCCC3)cc1 ZINC000862431458 629371458 /nfs/dbraw/zinc/37/14/58/629371458.db2.gz MVABPIRYVMFFGK-UHFFFAOYSA-N 1 1 294.402 3.160 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2c(Cl)n(C)nc2CC)C1 ZINC000862441151 629373241 /nfs/dbraw/zinc/37/32/41/629373241.db2.gz OZPWZICSBWZVBW-LLVKDONJSA-N 1 1 267.804 3.034 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cccc(OCC=C)c2)C1 ZINC000862442682 629375910 /nfs/dbraw/zinc/37/59/10/629375910.db2.gz FLFJNOGKUBWHMX-OAHLLOKOSA-N 1 1 255.361 3.097 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000862443494 629377126 /nfs/dbraw/zinc/37/71/26/629377126.db2.gz PSKVVGFFSVGKAR-AWEZNQCLSA-N 1 1 250.345 3.080 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000862444926 629378507 /nfs/dbraw/zinc/37/85/07/629378507.db2.gz IZSAGYYPOMQSNF-LLVKDONJSA-N 1 1 251.732 3.324 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000862445570 629379395 /nfs/dbraw/zinc/37/93/95/629379395.db2.gz XFCBYEJDVVNOCG-GFCCVEGCSA-N 1 1 260.406 3.256 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000862445706 629379653 /nfs/dbraw/zinc/37/96/53/629379653.db2.gz ZZLUQYINWVOPFU-LLVKDONJSA-N 1 1 251.732 3.324 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cccc(OC3CC3)c2F)C1 ZINC000862446749 629379860 /nfs/dbraw/zinc/37/98/60/629379860.db2.gz CXJOJSJENSAIKS-CYBMUJFWSA-N 1 1 273.351 3.212 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000862447928 629380925 /nfs/dbraw/zinc/38/09/25/629380925.db2.gz SQDGDKSVXFGMMG-JTQLQIEISA-N 1 1 267.731 3.030 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000862447928 629380928 /nfs/dbraw/zinc/38/09/28/629380928.db2.gz SQDGDKSVXFGMMG-JTQLQIEISA-N 1 1 267.731 3.030 20 30 CGEDMO C=CCCCCC[C@@H](C)[NH2+]C[C@@H]1CCCN(C)C1 ZINC000793539718 629479576 /nfs/dbraw/zinc/47/95/76/629479576.db2.gz GVLIPTFZXSCDPA-CVEARBPZSA-N 1 1 252.446 3.443 20 30 CGEDMO C[N@H+]1CCCC(N=Nc2cccc(F)c2Cl)CC1 ZINC000863158873 629484169 /nfs/dbraw/zinc/48/41/69/629484169.db2.gz VJLPPMLJZKSDDW-UHFFFAOYSA-N 1 1 269.751 3.363 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)CN1C[C@@H](CC)CC1=O ZINC000794650319 629563570 /nfs/dbraw/zinc/56/35/70/629563570.db2.gz IUWJVOHTAJCODE-INIZCTEOSA-N 1 1 286.419 3.281 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)CN1C[C@@H](CC)CC1=O ZINC000794650319 629563573 /nfs/dbraw/zinc/56/35/73/629563573.db2.gz IUWJVOHTAJCODE-INIZCTEOSA-N 1 1 286.419 3.281 20 30 CGEDMO CCCCCCC[N@H+]1CCCC[C@H]1CCS(C)(=O)=O ZINC000794755773 629576114 /nfs/dbraw/zinc/57/61/14/629576114.db2.gz ZLTGWTLPPUZJMM-HNNXBMFYSA-N 1 1 289.485 3.246 20 30 CGEDMO C=CCNN=C1CCCC[C@@H]1[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000794999822 629617783 /nfs/dbraw/zinc/61/77/83/629617783.db2.gz QDHNJOUQCZFIHR-LZWOXQAQSA-N 1 1 263.429 3.039 20 30 CGEDMO C#CCn1cc(-c2ccc(C[N@@H+]3CCC[C@@H]3C)cc2)cn1 ZINC000863690091 629647990 /nfs/dbraw/zinc/64/79/90/629647990.db2.gz JYMDMGWWYMHDGY-HNNXBMFYSA-N 1 1 279.387 3.168 20 30 CGEDMO CCCCCCCC[N@H+]1CCO[C@]2(CCCOC2)C1 ZINC000796077548 629743618 /nfs/dbraw/zinc/74/36/18/629743618.db2.gz QINBZIZCBIZKHZ-MRXNPFEDSA-N 1 1 269.429 3.228 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@](C(=O)OC)(C(F)(F)F)C1 ZINC000796307084 629761805 /nfs/dbraw/zinc/76/18/05/629761805.db2.gz ZOADBANTTXVTED-CYBMUJFWSA-N 1 1 295.345 3.384 20 30 CGEDMO CC#CC[N@H+](Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000796355273 629770834 /nfs/dbraw/zinc/77/08/34/629770834.db2.gz CXHWVKXGUASXMA-IBGZPJMESA-N 1 1 279.383 3.246 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)COC2 ZINC000796641391 629809710 /nfs/dbraw/zinc/80/97/10/629809710.db2.gz PVHBVIWXPPIIAL-UHFFFAOYSA-N 1 1 277.367 3.352 20 30 CGEDMO C=C(Br)C[NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000796746144 629824664 /nfs/dbraw/zinc/82/46/64/629824664.db2.gz PWTJPMIZLGNTJK-MRVPVSSYSA-N 1 1 297.152 3.093 20 30 CGEDMO CC1=C[C@@H](C)C[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000797605664 629970151 /nfs/dbraw/zinc/97/01/51/629970151.db2.gz UFDLSWRHSSUGGB-UKRRQHHQSA-N 1 1 270.376 3.375 20 30 CGEDMO O=C1C=C([NH2+]Nc2cccc3c2CCCC3)[C@H]2CCCCN12 ZINC000799477500 630186638 /nfs/dbraw/zinc/18/66/38/630186638.db2.gz BOOBMHDNGXPKAT-QGZVFWFLSA-N 1 1 297.402 3.118 20 30 CGEDMO O=C1C=C([NH2+]Nc2cccc3ccccc32)[C@@H]2CCCCN12 ZINC000799479083 630187921 /nfs/dbraw/zinc/18/79/21/630187921.db2.gz IUUWAAJFMIEZER-KRWDZBQOSA-N 1 1 293.370 3.393 20 30 CGEDMO CC(C)(C)c1ccc(N[NH2+]C2=CC(=O)N3CCC[C@@H]23)cc1 ZINC000799484496 630188957 /nfs/dbraw/zinc/18/89/57/630188957.db2.gz FARFYTYCYTVTOK-HNNXBMFYSA-N 1 1 285.391 3.147 20 30 CGEDMO C#CCC[N@H+](CCC)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000800466903 630282774 /nfs/dbraw/zinc/28/27/74/630282774.db2.gz JLUNBACTQIWMEC-HNNXBMFYSA-N 1 1 272.392 3.139 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000801550471 630343003 /nfs/dbraw/zinc/34/30/03/630343003.db2.gz BAKUJBCPOVEJEU-AWEZNQCLSA-N 1 1 276.428 3.209 20 30 CGEDMO CCCCCCCCCC[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000801590059 630346132 /nfs/dbraw/zinc/34/61/32/630346132.db2.gz NOJNXTTXOPYXFT-IYBDPMFKSA-N 1 1 269.429 3.227 20 30 CGEDMO CC[N@@H+](CCO[C@@H](C)C#N)Cc1ccc(Cl)s1 ZINC000801910382 630363957 /nfs/dbraw/zinc/36/39/57/630363957.db2.gz QERASZDXJNIDEH-JTQLQIEISA-N 1 1 272.801 3.152 20 30 CGEDMO CCc1oc2ccccc2c1C[N@@H+](C)CCO[C@@H](C)C#N ZINC000801910721 630363979 /nfs/dbraw/zinc/36/39/79/630363979.db2.gz WEIGJBGFWMBBKC-ZDUSSCGKSA-N 1 1 286.375 3.356 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC000801913297 630365235 /nfs/dbraw/zinc/36/52/35/630365235.db2.gz SJSQWYXFTJTKIG-DOMZBBRYSA-N 1 1 278.783 3.406 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@H]1CC1CCCCC1 ZINC000801914299 630365292 /nfs/dbraw/zinc/36/52/92/630365292.db2.gz BOZZIWOQMYGGLV-HOCLYGCPSA-N 1 1 264.413 3.350 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000801917597 630365783 /nfs/dbraw/zinc/36/57/83/630365783.db2.gz IXQPIQPXOKNFBD-WBVHZDCISA-N 1 1 272.392 3.185 20 30 CGEDMO C#CC[N@H+](CCc1ccnn1CC)[C@H]1CCc2ccccc21 ZINC000801915666 630365854 /nfs/dbraw/zinc/36/58/54/630365854.db2.gz LPVONWGEQNZSOC-IBGZPJMESA-N 1 1 293.414 3.068 20 30 CGEDMO COc1ccccc1[C@H]1CCCC[N@H+]1CCO[C@@H](C)C#N ZINC000801919018 630366879 /nfs/dbraw/zinc/36/68/79/630366879.db2.gz FWZUHYWUXLGEAO-GOEBONIOSA-N 1 1 288.391 3.151 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCCC[C@H]1CCc1ccccc1 ZINC000801935519 630369732 /nfs/dbraw/zinc/36/97/32/630369732.db2.gz GMQFTIQJKLEZLB-AEFFLSMTSA-N 1 1 286.419 3.402 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)CN1C[C@@H]2CCC[C@@H]2C1=O ZINC000840060789 630560609 /nfs/dbraw/zinc/56/06/09/630560609.db2.gz GDJOHTUINOCBMT-ROUUACIJSA-N 1 1 298.430 3.281 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)CN1C[C@@H]2CCC[C@@H]2C1=O ZINC000840060789 630560616 /nfs/dbraw/zinc/56/06/16/630560616.db2.gz GDJOHTUINOCBMT-ROUUACIJSA-N 1 1 298.430 3.281 20 30 CGEDMO C#CC[C@@H](NC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000807163143 630584169 /nfs/dbraw/zinc/58/41/69/630584169.db2.gz KXSXXHGHLQMRQM-QZTJIDSGSA-N 1 1 298.430 3.132 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@H+]2CCC[C@](C)(F)C2)c1O ZINC000840100562 630592668 /nfs/dbraw/zinc/59/26/68/630592668.db2.gz NBNMTRPHWMZUGT-KRWDZBQOSA-N 1 1 293.382 3.453 20 30 CGEDMO CCCC[N@@H+](C)C[C@H](C)Nc1cc(C#N)ccc1C(C)=O ZINC000808177421 630629563 /nfs/dbraw/zinc/62/95/63/630629563.db2.gz SSEOHZQZOQQRRY-ZDUSSCGKSA-N 1 1 287.407 3.293 20 30 CGEDMO C#Cc1ccc(CNCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000809606668 630760048 /nfs/dbraw/zinc/76/00/48/630760048.db2.gz ZDHYNJXPDZAFGC-IRXDYDNUSA-N 1 1 284.447 3.126 20 30 CGEDMO C#Cc1ccc(CNCC[N@H+](C)C2CCCCC2)cc1 ZINC000809610695 630760969 /nfs/dbraw/zinc/76/09/69/630760969.db2.gz AUBKBNCHAADWAW-UHFFFAOYSA-N 1 1 270.420 3.022 20 30 CGEDMO C#Cc1ccc(C[NH2+]CCN(C)C2CCCCC2)cc1 ZINC000809610695 630760972 /nfs/dbraw/zinc/76/09/72/630760972.db2.gz AUBKBNCHAADWAW-UHFFFAOYSA-N 1 1 270.420 3.022 20 30 CGEDMO C#Cc1ccc(CNCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000809608705 630761142 /nfs/dbraw/zinc/76/11/42/630761142.db2.gz QKQOXXAZRKUILV-INIZCTEOSA-N 1 1 284.447 3.268 20 30 CGEDMO C#Cc1ccc(CNCC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000809608705 630761147 /nfs/dbraw/zinc/76/11/47/630761147.db2.gz QKQOXXAZRKUILV-INIZCTEOSA-N 1 1 284.447 3.268 20 30 CGEDMO C#Cc1ccc(C[NH2+][C@H](CCN(C)C)C(C)(C)C)cc1 ZINC000809618909 630763491 /nfs/dbraw/zinc/76/34/91/630763491.db2.gz RQZFVCRJBQSBLO-QGZVFWFLSA-N 1 1 272.436 3.124 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC[C@@H]2C2CCOCC2)cc1 ZINC000809632699 630769203 /nfs/dbraw/zinc/76/92/03/630769203.db2.gz WNSHAYBBAWJGCB-GOSISDBHSA-N 1 1 269.388 3.059 20 30 CGEDMO C[C@@H]([NH2+]CC(C)(C)C#N)c1ccc(N2CCCC2=O)cc1 ZINC000809639138 630772259 /nfs/dbraw/zinc/77/22/59/630772259.db2.gz HKGIHLLTUKTWKQ-CYBMUJFWSA-N 1 1 285.391 3.014 20 30 CGEDMO C#C[C@@H](CC)[NH2+]Cc1c(F)cccc1OC(F)(F)F ZINC000809685666 630782081 /nfs/dbraw/zinc/78/20/81/630782081.db2.gz JHZJSZULIJKTOS-VIFPVBQESA-N 1 1 275.245 3.226 20 30 CGEDMO C#CC[N@@H+](Cc1cn(C(C)C)nc1C)Cc1ccccc1 ZINC000809718131 630789927 /nfs/dbraw/zinc/78/99/27/630789927.db2.gz RBJRHBIYMFBGMV-UHFFFAOYSA-N 1 1 281.403 3.408 20 30 CGEDMO C#CC[N@H+](Cc1cn(C(C)C)nc1C)Cc1ccccc1 ZINC000809718131 630789932 /nfs/dbraw/zinc/78/99/32/630789932.db2.gz RBJRHBIYMFBGMV-UHFFFAOYSA-N 1 1 281.403 3.408 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1cc(OC)ccc1O ZINC000809718740 630791946 /nfs/dbraw/zinc/79/19/46/630791946.db2.gz XZIMDSNFMWHJNI-UHFFFAOYSA-N 1 1 281.355 3.036 20 30 CGEDMO CC[N@@H+](Cc1ccncc1)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000809726433 630793890 /nfs/dbraw/zinc/79/38/90/630793890.db2.gz JVQDDFNEXUIOJX-OAHLLOKOSA-N 1 1 295.386 3.395 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)cc1 ZINC000809758295 630800257 /nfs/dbraw/zinc/80/02/57/630800257.db2.gz ISQWIMHUOFKHNV-MOPGFXCFSA-N 1 1 283.415 3.307 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@H]1COC(=O)NC1CCCC1 ZINC000810033284 630832062 /nfs/dbraw/zinc/83/20/62/630832062.db2.gz DXFFMFGCNWXLCG-HNNXBMFYSA-N 1 1 280.412 3.086 20 30 CGEDMO C=CCCCCCCCNC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000811590052 631088892 /nfs/dbraw/zinc/08/88/92/631088892.db2.gz NQHLNBRZFHQQKJ-OAHLLOKOSA-N 1 1 298.496 3.067 20 30 CGEDMO C[C@H]1C(=NNC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000811641279 631095085 /nfs/dbraw/zinc/09/50/85/631095085.db2.gz VJSRMXOLDJYYID-AWEZNQCLSA-N 1 1 271.408 3.169 20 30 CGEDMO C[C@H]1C(=NNC2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000811641279 631095089 /nfs/dbraw/zinc/09/50/89/631095089.db2.gz VJSRMXOLDJYYID-AWEZNQCLSA-N 1 1 271.408 3.169 20 30 CGEDMO C[C@@H]1C(=NO[C@H]2CCCCO2)CC[N@H+]1Cc1ccccc1 ZINC000811646173 631096274 /nfs/dbraw/zinc/09/62/74/631096274.db2.gz NRYNNJOLXHMNBE-PBHICJAKSA-N 1 1 288.391 3.180 20 30 CGEDMO C[C@@H]1C(=NO[C@H]2CCCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000811646173 631096279 /nfs/dbraw/zinc/09/62/79/631096279.db2.gz NRYNNJOLXHMNBE-PBHICJAKSA-N 1 1 288.391 3.180 20 30 CGEDMO CCCC[N@@H+](C)C[C@@H](C)Nc1cc(C#N)ccc1C(C)=O ZINC000811848787 631127204 /nfs/dbraw/zinc/12/72/04/631127204.db2.gz SSEOHZQZOQQRRY-CYBMUJFWSA-N 1 1 287.407 3.293 20 30 CGEDMO CC(=[NH+]OC1CCC1)c1ccc(N2CCCC2)cc1O ZINC000812236880 631227077 /nfs/dbraw/zinc/22/70/77/631227077.db2.gz YHNSILUJBKLDIC-UHFFFAOYSA-N 1 1 274.364 3.286 20 30 CGEDMO CC[N@@H+](CCCCC#N)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812850454 631324779 /nfs/dbraw/zinc/32/47/79/631324779.db2.gz SRUQOBVPLTYSEV-GOEBONIOSA-N 1 1 260.381 3.124 20 30 CGEDMO CC(=[NH+]OCC1CC1)c1ccc(N2CCCC2)cc1O ZINC000814243099 631556473 /nfs/dbraw/zinc/55/64/73/631556473.db2.gz FLLMLBJNXVPALI-UHFFFAOYSA-N 1 1 274.364 3.143 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CCC2(CCOCC2)CO1 ZINC000878990929 635673924 /nfs/dbraw/zinc/67/39/24/635673924.db2.gz CHTMFKIMPXKSBR-IXDOHACOSA-N 1 1 291.435 3.145 20 30 CGEDMO CC(=[NH+]NCc1ccc(C#N)cc1)c1ccc(Cl)c(N)c1 ZINC000814882110 631663158 /nfs/dbraw/zinc/66/31/58/631663158.db2.gz DMFSLAIUFBEEHE-UHFFFAOYSA-N 1 1 298.777 3.308 20 30 CGEDMO C=CCOCC[N@H+](CC(C)C)C[C@@H](O)c1ccc(F)cc1 ZINC000815053130 631707344 /nfs/dbraw/zinc/70/73/44/631707344.db2.gz CEQKXHHHLCTCRI-QGZVFWFLSA-N 1 1 295.398 3.020 20 30 CGEDMO CCc1nocc1C[NH2+]Cc1cccc(O[C@@H](C#N)CC)c1 ZINC000815126811 631723777 /nfs/dbraw/zinc/72/37/77/631723777.db2.gz RUTGSXAZBJLREM-OAHLLOKOSA-N 1 1 299.374 3.208 20 30 CGEDMO C=CCC(C)(C)C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000815636961 631809465 /nfs/dbraw/zinc/80/94/65/631809465.db2.gz HAIPOJVXJKYWKX-LBPRGKRZSA-N 1 1 291.391 3.432 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cc(Cl)c(F)cc1O ZINC000816480628 631987288 /nfs/dbraw/zinc/98/72/88/631987288.db2.gz SFOGYNGEXGLBFN-UHFFFAOYSA-N 1 1 255.720 3.359 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)[C@H]1C ZINC000816649246 632037302 /nfs/dbraw/zinc/03/73/02/632037302.db2.gz WHCSEAZSBDMZSC-GJZGRUSLSA-N 1 1 294.402 3.304 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+]1CCOC[C@@H]1CC1CCC1 ZINC000816667481 632042273 /nfs/dbraw/zinc/04/22/73/632042273.db2.gz ODPOAKWYUUEZES-SFHVURJKSA-N 1 1 299.414 3.090 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000816667481 632042277 /nfs/dbraw/zinc/04/22/77/632042277.db2.gz ODPOAKWYUUEZES-SFHVURJKSA-N 1 1 299.414 3.090 20 30 CGEDMO C[N@H+](CCc1cccc(C#N)c1)CC[C@H](O)c1ccccc1 ZINC000879433350 635787466 /nfs/dbraw/zinc/78/74/66/635787466.db2.gz XGWNKCPKCPTFNF-IBGZPJMESA-N 1 1 294.398 3.156 20 30 CGEDMO CC(C)(C#N)C[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000819218817 632404132 /nfs/dbraw/zinc/40/41/32/632404132.db2.gz LKOMABPEBYJENX-LBPRGKRZSA-N 1 1 287.190 3.166 20 30 CGEDMO CC1(C)CC(=NNc2cc[nH+]cc2)c2cc(F)ccc2O1 ZINC000819812123 632519230 /nfs/dbraw/zinc/51/92/30/632519230.db2.gz JUBVJRNRUKCZME-UHFFFAOYSA-N 1 1 285.322 3.020 20 30 CGEDMO N#CCCC[C@H]([NH3+])c1nc([C@H]2CCc3ccccc3C2)no1 ZINC000822845255 633028858 /nfs/dbraw/zinc/02/88/58/633028858.db2.gz JZRNCQYKQBUWAE-GJZGRUSLSA-N 1 1 296.374 3.036 20 30 CGEDMO Cc1ccccc1[C@H](C)c1noc([C@H]([NH3+])CCCC#N)n1 ZINC000822875616 633033125 /nfs/dbraw/zinc/03/31/25/633033125.db2.gz OCRWCNVCWZLMPN-GXTWGEPZSA-N 1 1 284.363 3.224 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000822892588 633036256 /nfs/dbraw/zinc/03/62/56/633036256.db2.gz KBTBPVNSDGSLFC-MRXNPFEDSA-N 1 1 298.430 3.076 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000822892588 633036260 /nfs/dbraw/zinc/03/62/60/633036260.db2.gz KBTBPVNSDGSLFC-MRXNPFEDSA-N 1 1 298.430 3.076 20 30 CGEDMO Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866266512 633051924 /nfs/dbraw/zinc/05/19/24/633051924.db2.gz IOADZVIMUALADB-ZJUUUORDSA-N 1 1 285.347 3.281 20 30 CGEDMO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cc(F)ncc1F ZINC000824301959 633226733 /nfs/dbraw/zinc/22/67/33/633226733.db2.gz IVEIKOPDJDMKKA-OAHLLOKOSA-N 1 1 285.297 3.009 20 30 CGEDMO CC[N@@H+](Cc1ccc(Br)cc1O)C[C@@H](C)C#N ZINC000824596960 633263176 /nfs/dbraw/zinc/26/31/76/633263176.db2.gz LZDFGMFZEHIKFG-JTQLQIEISA-N 1 1 297.196 3.136 20 30 CGEDMO CC[N@H+](Cc1ccc(Br)cc1O)C[C@@H](C)C#N ZINC000824596960 633263180 /nfs/dbraw/zinc/26/31/80/633263180.db2.gz LZDFGMFZEHIKFG-JTQLQIEISA-N 1 1 297.196 3.136 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CC[C@@H]2C2CC2)cc1 ZINC000824649840 633267300 /nfs/dbraw/zinc/26/73/00/633267300.db2.gz GVVQVAFSNVNUDH-QGZVFWFLSA-N 1 1 255.361 3.073 20 30 CGEDMO C#CCCCCCC(=O)N1CC[NH2+][C@@H](c2ccccc2C)C1 ZINC000825170181 633333773 /nfs/dbraw/zinc/33/37/73/633333773.db2.gz UGUZWOQBEDOGHX-GOSISDBHSA-N 1 1 298.430 3.052 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000825340849 633347952 /nfs/dbraw/zinc/34/79/52/633347952.db2.gz RKOZQNIKEQWKGU-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H](CC#N)C2)c1O ZINC000826861987 633438159 /nfs/dbraw/zinc/43/81/59/633438159.db2.gz QHNFYEZBZJQZAM-LLVKDONJSA-N 1 1 294.782 3.180 20 30 CGEDMO C#CC[N@@H+](CCC[C@@H]1CCOC1)[C@@H]1CCc2ccccc21 ZINC000827808927 633520784 /nfs/dbraw/zinc/52/07/84/633520784.db2.gz UULYBUWZLMSZOD-VQIMIIECSA-N 1 1 283.415 3.426 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)C[C@@H]2CC2(C)C)cc1 ZINC000827942116 633538433 /nfs/dbraw/zinc/53/84/33/633538433.db2.gz MRTGFMPYPKZDIM-ZFWWWQNUSA-N 1 1 272.392 3.455 20 30 CGEDMO C[C@@H](C[C@@H]1CCCC[N@H+]1C)OC(=O)c1ccc(C#N)s1 ZINC000870786355 633645956 /nfs/dbraw/zinc/64/59/56/633645956.db2.gz BPDDYWMPYLYTDE-RYUDHWBXSA-N 1 1 292.404 3.039 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+]([C@@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000829773089 633780364 /nfs/dbraw/zinc/78/03/64/633780364.db2.gz ALYCGDVYJQNJAP-STQMWFEESA-N 1 1 275.396 3.163 20 30 CGEDMO C#CC[C@H]1CCC[N@H+]([C@@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000829773089 633780370 /nfs/dbraw/zinc/78/03/70/633780370.db2.gz ALYCGDVYJQNJAP-STQMWFEESA-N 1 1 275.396 3.163 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2csc([C@H](C)OCC)n2)C1 ZINC000829784722 633784689 /nfs/dbraw/zinc/78/46/89/633784689.db2.gz MEPVYBJBDBFEBR-UONOGXRCSA-N 1 1 292.448 3.476 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2csc([C@H](C)OCC)n2)C1 ZINC000829784722 633784699 /nfs/dbraw/zinc/78/46/99/633784699.db2.gz MEPVYBJBDBFEBR-UONOGXRCSA-N 1 1 292.448 3.476 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2nc3c(cccc3F)n2CC)C1 ZINC000829805144 633790151 /nfs/dbraw/zinc/79/01/51/633790151.db2.gz PPQPASYEUGMIOW-AWEZNQCLSA-N 1 1 299.393 3.431 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2nc3c(cccc3F)n2CC)C1 ZINC000829805144 633790155 /nfs/dbraw/zinc/79/01/55/633790155.db2.gz PPQPASYEUGMIOW-AWEZNQCLSA-N 1 1 299.393 3.431 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2cncn2Cc2ccccc2)C1 ZINC000829809987 633792973 /nfs/dbraw/zinc/79/29/73/633792973.db2.gz JVKLNVOTWZJAJY-KRWDZBQOSA-N 1 1 293.414 3.167 20 30 CGEDMO C#CCC[N@H+]1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000829871832 633805381 /nfs/dbraw/zinc/80/53/81/633805381.db2.gz CBFHCJKDMLRMFF-AWEZNQCLSA-N 1 1 273.767 3.377 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 ZINC000829871832 633805383 /nfs/dbraw/zinc/80/53/83/633805383.db2.gz CBFHCJKDMLRMFF-AWEZNQCLSA-N 1 1 273.767 3.377 20 30 CGEDMO C#CC1CC[NH+]([C@@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000830316483 633849472 /nfs/dbraw/zinc/84/94/72/633849472.db2.gz UQQPFTCYYPWVJY-NSHDSACASA-N 1 1 287.388 3.204 20 30 CGEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2cccc(COC)c2)no1 ZINC000872175131 634078821 /nfs/dbraw/zinc/07/88/21/634078821.db2.gz HOJMPVCHUSQRRI-LBPRGKRZSA-N 1 1 293.754 3.025 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872279947 634098335 /nfs/dbraw/zinc/09/83/35/634098335.db2.gz ICVQAKQIJOJVAF-HIFRSBDPSA-N 1 1 250.386 3.102 20 30 CGEDMO CSc1nnc(SC)n1[NH+]=CC1CCCCC1 ZINC000872417127 634140140 /nfs/dbraw/zinc/14/01/40/634140140.db2.gz LYWKWSCEYFIYGF-UHFFFAOYSA-N 1 1 270.427 3.136 20 30 CGEDMO C=C[C@H](C)[NH2+][C@@H](C)c1nc(Br)cs1 ZINC000834619536 634199194 /nfs/dbraw/zinc/19/91/94/634199194.db2.gz IKGQPDDKDQTGQR-BQBZGAKWSA-N 1 1 261.188 3.131 20 30 CGEDMO C#CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](C)n3ccnc32)cc1 ZINC000834896592 634273412 /nfs/dbraw/zinc/27/34/12/634273412.db2.gz LQDXFAUSFZQYAO-KEYYUXOJSA-N 1 1 295.386 3.252 20 30 CGEDMO C#CCCCCCC[N@H+]1CCCC[C@H]1c1noc(C)n1 ZINC000876627938 634870671 /nfs/dbraw/zinc/87/06/71/634870671.db2.gz LPUJNNVOIGTDOM-HNNXBMFYSA-N 1 1 275.396 3.489 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCCC[C@H]1c1noc(C)n1 ZINC000876627938 634870676 /nfs/dbraw/zinc/87/06/76/634870676.db2.gz LPUJNNVOIGTDOM-HNNXBMFYSA-N 1 1 275.396 3.489 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000876654327 634876081 /nfs/dbraw/zinc/87/60/81/634876081.db2.gz CEGZJTILKLKSQD-KRWDZBQOSA-N 1 1 292.467 3.054 20 30 CGEDMO C[C@H]1CC[N@H+](Cc2cc(C#N)cnc2Cl)C[C@H]1C ZINC000876745178 634890708 /nfs/dbraw/zinc/89/07/08/634890708.db2.gz GGZBJMPIPKJYSC-WDEREUQCSA-N 1 1 263.772 3.085 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2cc(C#N)cnc2Cl)C[C@H]1C ZINC000876745178 634890709 /nfs/dbraw/zinc/89/07/09/634890709.db2.gz GGZBJMPIPKJYSC-WDEREUQCSA-N 1 1 263.772 3.085 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000876790753 634899374 /nfs/dbraw/zinc/89/93/74/634899374.db2.gz VCDZDXOXDCLMJI-MRXNPFEDSA-N 1 1 261.365 3.237 20 30 CGEDMO C#CCCCCCC[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000876790753 634899375 /nfs/dbraw/zinc/89/93/75/634899375.db2.gz VCDZDXOXDCLMJI-MRXNPFEDSA-N 1 1 261.365 3.237 20 30 CGEDMO C=CC(C)(C)C(=O)OCC[N@H+](C)Cc1ccc(F)cc1 ZINC000837864401 635000210 /nfs/dbraw/zinc/00/02/10/635000210.db2.gz OMSGXUTYGZPTOH-UHFFFAOYSA-N 1 1 279.355 3.013 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000877189598 635010443 /nfs/dbraw/zinc/01/04/43/635010443.db2.gz QAOCNSZXHDTIMD-ZDUSSCGKSA-N 1 1 259.340 3.274 20 30 CGEDMO C#CC[N@H+](Cc1ccc2ccc(F)c(F)c2n1)C1CC1 ZINC000877371259 635030657 /nfs/dbraw/zinc/03/06/57/635030657.db2.gz CFRMITGSVZVQFA-UHFFFAOYSA-N 1 1 272.298 3.111 20 30 CGEDMO C[C@@H]1C/C(=C\c2c[nH+]c(N(C)C)n2C)C(=O)c2ccccc21 ZINC000840717682 635041426 /nfs/dbraw/zinc/04/14/26/635041426.db2.gz WPHCKTKUHAKQGB-GMCKNXKJSA-N 1 1 295.386 3.260 20 30 CGEDMO CCCC[N@@H+](Cc1cccc(C#N)n1)Cc1ccccc1O ZINC000877503688 635064508 /nfs/dbraw/zinc/06/45/08/635064508.db2.gz UEKHWRGUZRUWRU-UHFFFAOYSA-N 1 1 295.386 3.461 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@@H]1c1nc(C)no1 ZINC000877522747 635070895 /nfs/dbraw/zinc/07/08/95/635070895.db2.gz GHXSPVAWGXBVKC-CQSZACIVSA-N 1 1 261.369 3.099 20 30 CGEDMO C#CCCCCCC[N@@H+]1CC(C)(C)[C@H]1c1nccn1C ZINC000877560674 635090840 /nfs/dbraw/zinc/09/08/40/635090840.db2.gz XXLLFTWSAYZVHM-OAHLLOKOSA-N 1 1 273.424 3.387 20 30 CGEDMO C#CCCCCCC[N@H+]1CC(C)(C)[C@H]1c1nccn1C ZINC000877560674 635090847 /nfs/dbraw/zinc/09/08/47/635090847.db2.gz XXLLFTWSAYZVHM-OAHLLOKOSA-N 1 1 273.424 3.387 20 30 CGEDMO C=CCC[C@H]([NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)C(=O)OCC ZINC000877571778 635096954 /nfs/dbraw/zinc/09/69/54/635096954.db2.gz JJYWBNABFZCLJH-SOUVJXGZSA-N 1 1 297.439 3.068 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2c(Cl)cncc2Cl)C1 ZINC000877650234 635131723 /nfs/dbraw/zinc/13/17/23/635131723.db2.gz HBQFCEAWOCWTNU-SNVBAGLBSA-N 1 1 269.175 3.234 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2c(Cl)cncc2Cl)C1 ZINC000877650234 635131729 /nfs/dbraw/zinc/13/17/29/635131729.db2.gz HBQFCEAWOCWTNU-SNVBAGLBSA-N 1 1 269.175 3.234 20 30 CGEDMO COc1ccccc1C[N@@H+](C)CCc1cccc(C#N)c1 ZINC000877703919 635155075 /nfs/dbraw/zinc/15/50/75/635155075.db2.gz GMRXCZNRKSOTPX-UHFFFAOYSA-N 1 1 280.371 3.241 20 30 CGEDMO C[N@H+](CCc1cccc(C#N)c1)Cc1nc(Cl)cs1 ZINC000877704864 635157308 /nfs/dbraw/zinc/15/73/08/635157308.db2.gz NXZGMILGHJMUPB-UHFFFAOYSA-N 1 1 291.807 3.343 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1nc(Cl)cs1 ZINC000877704864 635157312 /nfs/dbraw/zinc/15/73/12/635157312.db2.gz NXZGMILGHJMUPB-UHFFFAOYSA-N 1 1 291.807 3.343 20 30 CGEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccccc1 ZINC000877935854 635279422 /nfs/dbraw/zinc/27/94/22/635279422.db2.gz XTRNKHJNYPRYFM-FCEWJHQRSA-N 1 1 298.430 3.405 20 30 CGEDMO C=CC[C@H](C)[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000877939344 635280356 /nfs/dbraw/zinc/28/03/56/635280356.db2.gz VWKADWQZKLWUEK-LBPRGKRZSA-N 1 1 261.365 3.027 20 30 CGEDMO CC[N@H+](CCC#N)C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000878159210 635385365 /nfs/dbraw/zinc/38/53/65/635385365.db2.gz GBSPFXUYBURWOV-HZPDHXFCSA-N 1 1 258.365 3.142 20 30 CGEDMO CC[N@@H+](CCC#N)C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000878159210 635385374 /nfs/dbraw/zinc/38/53/74/635385374.db2.gz GBSPFXUYBURWOV-HZPDHXFCSA-N 1 1 258.365 3.142 20 30 CGEDMO C=CC[C@H](C)[N@@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000878274153 635440484 /nfs/dbraw/zinc/44/04/84/635440484.db2.gz WYHWMCBDRHXFEW-ZDUSSCGKSA-N 1 1 255.365 3.473 20 30 CGEDMO C[N@H+](C[C@@H]1CC[C@@H](c2ccccc2)O1)CC(C)(C)C#N ZINC000878650966 635591139 /nfs/dbraw/zinc/59/11/39/635591139.db2.gz RMZAZXUFTRLIMX-HOTGVXAUSA-N 1 1 272.392 3.388 20 30 CGEDMO C[N@@H+](C[C@@H]1CC[C@@H](c2ccccc2)O1)CC(C)(C)C#N ZINC000878650966 635591142 /nfs/dbraw/zinc/59/11/42/635591142.db2.gz RMZAZXUFTRLIMX-HOTGVXAUSA-N 1 1 272.392 3.388 20 30 CGEDMO C#CCCCCC[N@H+](C)C1CCN(CC(F)(F)F)CC1 ZINC000878691633 635606691 /nfs/dbraw/zinc/60/66/91/635606691.db2.gz GJGXKNMYNSADON-UHFFFAOYSA-N 1 1 290.373 3.139 20 30 CGEDMO C[N@@H+](C[C@H](O)c1cccc(C#N)c1)CC1CC2(CCC2)C1 ZINC000878802687 635632120 /nfs/dbraw/zinc/63/21/20/635632120.db2.gz NLSJWPPOHZGJEV-KRWDZBQOSA-N 1 1 284.403 3.104 20 30 CGEDMO C[C@@H](CC#N)[NH2+]Cc1cc(Cl)nc2ccccc12 ZINC000878820355 635636879 /nfs/dbraw/zinc/63/68/79/635636879.db2.gz LURJYTOFZOJWRU-JTQLQIEISA-N 1 1 259.740 3.280 20 30 CGEDMO N#C[C@]1(c2ccccn2)CCC[N@H+](CCCC2CC2)C1 ZINC000878887804 635649743 /nfs/dbraw/zinc/64/97/43/635649743.db2.gz HSNKRZUDRPJZBW-QGZVFWFLSA-N 1 1 269.392 3.129 20 30 CGEDMO N#C[C@]1(c2ccccn2)CCC[N@@H+](CCCC2CC2)C1 ZINC000878887804 635649753 /nfs/dbraw/zinc/64/97/53/635649753.db2.gz HSNKRZUDRPJZBW-QGZVFWFLSA-N 1 1 269.392 3.129 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H](n2ccnn2)CC1 ZINC000878940663 635661940 /nfs/dbraw/zinc/66/19/40/635661940.db2.gz KZQCZXBWGLKFCP-OAHLLOKOSA-N 1 1 264.417 3.276 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000843422268 635666504 /nfs/dbraw/zinc/66/65/04/635666504.db2.gz DCEKCUSMZRCKDM-OAHLLOKOSA-N 1 1 297.377 3.247 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000843423407 635666790 /nfs/dbraw/zinc/66/67/90/635666790.db2.gz CRMLJTNLYGEDDF-AWEZNQCLSA-N 1 1 272.348 3.139 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(C)o2)C1 ZINC000843423659 635667190 /nfs/dbraw/zinc/66/71/90/635667190.db2.gz HOWFSDNSCCFSMA-CQSZACIVSA-N 1 1 283.375 3.213 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000843422235 635667201 /nfs/dbraw/zinc/66/72/01/635667201.db2.gz CWHXWNKFQBWSCX-MRXNPFEDSA-N 1 1 285.435 3.162 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000843424307 635668507 /nfs/dbraw/zinc/66/85/07/635668507.db2.gz RBKNPJDUCFTVIW-HNNXBMFYSA-N 1 1 297.377 3.247 20 30 CGEDMO N#CCc1cccc2c1CC[N@@H+](C[C@H]1CC3(CCC3)CO1)C2 ZINC000879065134 635693739 /nfs/dbraw/zinc/69/37/39/635693739.db2.gz TUOIHPIIEDOJGL-QGZVFWFLSA-N 1 1 296.414 3.070 20 30 CGEDMO C[N@@H+](CC[C@@H]1CC1(Cl)Cl)[C@@H]1CCC[C@H]1C#N ZINC000879308876 635750716 /nfs/dbraw/zinc/75/07/16/635750716.db2.gz JKIKAVRHAYAKFP-HBNTYKKESA-N 1 1 261.196 3.194 20 30 CGEDMO C[N@H+](C[C@H](O)c1ccc(Cl)c(F)c1)[C@H]1CCC[C@@H]1C#N ZINC000879309329 635751891 /nfs/dbraw/zinc/75/18/91/635751891.db2.gz GIRHOSSUOIEYST-UGFHNGPFSA-N 1 1 296.773 3.137 20 30 CGEDMO C[N@@H+](C[C@H](O)c1ccc(Cl)c(F)c1)[C@H]1CCC[C@@H]1C#N ZINC000879309329 635751896 /nfs/dbraw/zinc/75/18/96/635751896.db2.gz GIRHOSSUOIEYST-UGFHNGPFSA-N 1 1 296.773 3.137 20 30 CGEDMO C[N@@H+](Cc1ccc2cc[nH]c2c1)[C@H]1CC[C@H](C#N)C1 ZINC000879724870 635843100 /nfs/dbraw/zinc/84/31/00/635843100.db2.gz QIQUUMCJLIBNEG-WFASDCNBSA-N 1 1 253.349 3.292 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C1CCCCC1 ZINC000844280354 635856775 /nfs/dbraw/zinc/85/67/75/635856775.db2.gz GFLQYIMOXQGGQQ-UHFFFAOYSA-N 1 1 297.358 3.234 20 30 CGEDMO C[C@@H]1CCC[C@H](C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)C1 ZINC000844365298 635881150 /nfs/dbraw/zinc/88/11/50/635881150.db2.gz DOBJHAMURNXRTM-HFTRVMKXSA-N 1 1 286.419 3.350 20 30 CGEDMO C[C@@H]1CCC[C@@H](C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)C1 ZINC000844365300 635881454 /nfs/dbraw/zinc/88/14/54/635881454.db2.gz DOBJHAMURNXRTM-KYJSFNMBSA-N 1 1 286.419 3.350 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000879963848 635890279 /nfs/dbraw/zinc/89/02/79/635890279.db2.gz QBVMIAYXPYIARA-BBRMVZONSA-N 1 1 272.392 3.102 20 30 CGEDMO Cc1csc([C@@H]2CC[N@@H+](CCc3ccc(C#N)cc3)C2)n1 ZINC000880012870 635899583 /nfs/dbraw/zinc/89/95/83/635899583.db2.gz YZOWATDVQKTCIR-MRXNPFEDSA-N 1 1 297.427 3.355 20 30 CGEDMO C=CCCCC[N@H+]1CC[C@@H](C(F)(F)F)O[C@H](C)C1 ZINC000880066039 635907751 /nfs/dbraw/zinc/90/77/51/635907751.db2.gz CAQUWYNLMNXUET-NEPJUHHUSA-N 1 1 265.319 3.384 20 30 CGEDMO C#CCCCCC[N@H+]1CC[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000880065539 635907992 /nfs/dbraw/zinc/90/79/92/635907992.db2.gz VSRKIJBZXAHLBX-QWHCGFSZSA-N 1 1 277.330 3.222 20 30 CGEDMO Cc1nccnc1[C@@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC000880107819 635915154 /nfs/dbraw/zinc/91/51/54/635915154.db2.gz FPXOOKRBDJCPNF-GFCCVEGCSA-N 1 1 285.778 3.141 20 30 CGEDMO C=CCCN1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000880254753 635957859 /nfs/dbraw/zinc/95/78/59/635957859.db2.gz MUSJINFEKYYDEU-UHFFFAOYSA-N 1 1 250.430 3.293 20 30 CGEDMO N#CCC[N@@H+]1CCC[C@@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC000880275328 635961231 /nfs/dbraw/zinc/96/12/31/635961231.db2.gz OAEUNKUFPAJJTE-OAHLLOKOSA-N 1 1 280.375 3.170 20 30 CGEDMO N#CCC[N@H+]1CCC[C@@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC000880275328 635961237 /nfs/dbraw/zinc/96/12/37/635961237.db2.gz OAEUNKUFPAJJTE-OAHLLOKOSA-N 1 1 280.375 3.170 20 30 CGEDMO CO[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C#N)cc2C)C1 ZINC000880306679 635971098 /nfs/dbraw/zinc/97/10/98/635971098.db2.gz WMXGPNVDPVULED-CQSZACIVSA-N 1 1 298.308 3.020 20 30 CGEDMO COC(=O)C(C)(C)C[N@@H+](CCCC(C)(C)C#N)CC(C)C ZINC000880383227 635990087 /nfs/dbraw/zinc/99/00/87/635990087.db2.gz WNKOQDVBXHGEGQ-UHFFFAOYSA-N 1 1 296.455 3.474 20 30 CGEDMO N#CCCOCC[N@H+]1CCCSC[C@H]1c1ccccc1 ZINC000880388221 635990948 /nfs/dbraw/zinc/99/09/48/635990948.db2.gz KGWXCBZXCKIPDG-INIZCTEOSA-N 1 1 290.432 3.097 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@H](C3CCOCC3)C2)C1 ZINC000880577775 636025802 /nfs/dbraw/zinc/02/58/02/636025802.db2.gz KSQCLTGOCXQPDC-HYVNUMGLSA-N 1 1 276.424 3.207 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)ccc1C#N ZINC000846105977 636143969 /nfs/dbraw/zinc/14/39/69/636143969.db2.gz ZUPQBCXYUOLMAG-OAHLLOKOSA-N 1 1 292.329 3.188 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)cc1 ZINC000846115755 636146866 /nfs/dbraw/zinc/14/68/66/636146866.db2.gz AAGPMKIIJHHEEE-SWLSCSKDSA-N 1 1 292.329 3.209 20 30 CGEDMO CC[N@@H+](C)Cc1cccc(CNc2ccc(C)nc2C#N)c1 ZINC000881836741 636206562 /nfs/dbraw/zinc/20/65/62/636206562.db2.gz CPNQFUQBJOIUQP-UHFFFAOYSA-N 1 1 294.402 3.326 20 30 CGEDMO C=CCCC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000882234044 636294581 /nfs/dbraw/zinc/29/45/81/636294581.db2.gz FXUHGGUKXFWSHA-IAGOWNOFSA-N 1 1 286.419 3.152 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000847024208 636315291 /nfs/dbraw/zinc/31/52/91/636315291.db2.gz PXIWEZRTFOAWKP-ZDUSSCGKSA-N 1 1 284.334 3.326 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000847024819 636315393 /nfs/dbraw/zinc/31/53/93/636315393.db2.gz SYUNCBOMEMVQBB-ZDUSSCGKSA-N 1 1 268.335 3.219 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC000847024778 636315405 /nfs/dbraw/zinc/31/54/05/636315405.db2.gz LCQSTJYOTKYYEA-GFCCVEGCSA-N 1 1 272.373 3.248 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC000847024778 636315409 /nfs/dbraw/zinc/31/54/09/636315409.db2.gz LCQSTJYOTKYYEA-GFCCVEGCSA-N 1 1 272.373 3.248 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(F)c(C)c3)no2)C1 ZINC000847023187 636315800 /nfs/dbraw/zinc/31/58/00/636315800.db2.gz BJCJUBKYJBRDBX-CYBMUJFWSA-N 1 1 299.349 3.029 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(F)c(C)c3)no2)C1 ZINC000847023187 636315807 /nfs/dbraw/zinc/31/58/07/636315807.db2.gz BJCJUBKYJBRDBX-CYBMUJFWSA-N 1 1 299.349 3.029 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000847028449 636318733 /nfs/dbraw/zinc/31/87/33/636318733.db2.gz YIMTXJSUQNOYFA-ZDUSSCGKSA-N 1 1 284.334 3.326 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000847028449 636318740 /nfs/dbraw/zinc/31/87/40/636318740.db2.gz YIMTXJSUQNOYFA-ZDUSSCGKSA-N 1 1 284.334 3.326 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000847031461 636318879 /nfs/dbraw/zinc/31/88/79/636318879.db2.gz QUIURVOCYJHRNR-QWHCGFSZSA-N 1 1 290.794 3.012 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000847031461 636318882 /nfs/dbraw/zinc/31/88/82/636318882.db2.gz QUIURVOCYJHRNR-QWHCGFSZSA-N 1 1 290.794 3.012 20 30 CGEDMO CCCCCCC[N@H+]1CCCN(CC(F)F)CC1 ZINC000130064374 636413775 /nfs/dbraw/zinc/41/37/75/636413775.db2.gz DCYWTEBJTCJNFJ-UHFFFAOYSA-N 1 1 262.388 3.230 20 30 CGEDMO C=CC[C@H](C(=O)OCC[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000847821662 636460074 /nfs/dbraw/zinc/46/00/74/636460074.db2.gz KGPGRXAXUNFCOG-WBVHZDCISA-N 1 1 287.403 3.231 20 30 CGEDMO O=[N+]([O-])c1ccccc1N=NC1CCC[N@H+]2CCCC[C@@H]12 ZINC000848399341 636566407 /nfs/dbraw/zinc/56/64/07/636566407.db2.gz OFKOPCJBPVJUHF-AWEZNQCLSA-N 1 1 288.351 3.011 20 30 CGEDMO c1ccc(CON=C2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000848404192 636567762 /nfs/dbraw/zinc/56/77/62/636567762.db2.gz GGQBTHYEMWROJM-INIZCTEOSA-N 1 1 258.365 3.208 20 30 CGEDMO Fc1ccc(CON=C2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000848408059 636569346 /nfs/dbraw/zinc/56/93/46/636569346.db2.gz DZXQIQORQAXMNO-MRXNPFEDSA-N 1 1 276.355 3.347 20 30 CGEDMO C[NH+](C)[C@@H]1CCC[C@@H](NCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000848541306 636597379 /nfs/dbraw/zinc/59/73/79/636597379.db2.gz WMMQABXARYTXOR-QZTJIDSGSA-N 1 1 299.462 3.450 20 30 CGEDMO N#CCCCC[C@H]([NH3+])c1nc(-c2ccc3cc[nH]c3c2)no1 ZINC000848620224 636620176 /nfs/dbraw/zinc/62/01/76/636620176.db2.gz AESMWHWWIRKZBQ-ZDUSSCGKSA-N 1 1 295.346 3.302 20 30 CGEDMO CCC(CC)c1noc([C@@H]([NH3+])CCCCC#N)n1 ZINC000848621689 636620892 /nfs/dbraw/zinc/62/08/92/636620892.db2.gz ONNDZHKIJANTTF-NSHDSACASA-N 1 1 250.346 3.057 20 30 CGEDMO Cc1ccc(-c2noc([C@@H]([NH3+])CCCCC#N)n2)c(F)c1 ZINC000848624614 636622268 /nfs/dbraw/zinc/62/22/68/636622268.db2.gz BRJYAROQBKRZNF-ZDUSSCGKSA-N 1 1 288.326 3.268 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cnn(-c3ccccc3C)c2)C1 ZINC000848923603 636693906 /nfs/dbraw/zinc/69/39/06/636693906.db2.gz GVQLNQNTDZQLNH-INIZCTEOSA-N 1 1 279.387 3.026 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(OCC=C)c(OC)c2)C1 ZINC000848923728 636695724 /nfs/dbraw/zinc/69/57/24/636695724.db2.gz PJUDZNSDSLQSGM-HNNXBMFYSA-N 1 1 285.387 3.105 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2nc3ccc(Cl)cc3n2C)C1 ZINC000848924134 636695741 /nfs/dbraw/zinc/69/57/41/636695741.db2.gz OJHFZSZMFKVGNN-LBPRGKRZSA-N 1 1 287.794 3.072 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2nc3ccc(Cl)cc3n2C)C1 ZINC000848924134 636695744 /nfs/dbraw/zinc/69/57/44/636695744.db2.gz OJHFZSZMFKVGNN-LBPRGKRZSA-N 1 1 287.794 3.072 20 30 CGEDMO CCOc1ccc(C[N@@H+]2Cc3ccc(C#N)cc3C2)c(O)c1 ZINC000848925807 636698829 /nfs/dbraw/zinc/69/88/29/636698829.db2.gz LGICVJKUHPUMAD-UHFFFAOYSA-N 1 1 294.354 3.178 20 30 CGEDMO CCOc1ccc(C[N@H+]2Cc3ccc(C#N)cc3C2)c(O)c1 ZINC000848925807 636698835 /nfs/dbraw/zinc/69/88/35/636698835.db2.gz LGICVJKUHPUMAD-UHFFFAOYSA-N 1 1 294.354 3.178 20 30 CGEDMO CCc1ccc(NCc2ccc(OC)c(C#N)c2)[nH+]c1 ZINC000883385634 636727229 /nfs/dbraw/zinc/72/72/29/636727229.db2.gz PNKHGIZVHOEPAU-UHFFFAOYSA-N 1 1 267.332 3.136 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000134242353 637009967 /nfs/dbraw/zinc/00/99/67/637009967.db2.gz LHPBUFYCBDRRQF-FZMZJTMJSA-N 1 1 251.757 3.063 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000134242353 637009970 /nfs/dbraw/zinc/00/99/70/637009970.db2.gz LHPBUFYCBDRRQF-FZMZJTMJSA-N 1 1 251.757 3.063 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1cc2cccc(OC)c2o1 ZINC000134792656 637038334 /nfs/dbraw/zinc/03/83/34/637038334.db2.gz ZCXXXLWFNQITAE-UHFFFAOYSA-N 1 1 251.713 3.284 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(C(F)F)nc1 ZINC000850462100 637075478 /nfs/dbraw/zinc/07/54/78/637075478.db2.gz MQEOBCULUDPGKT-JTQLQIEISA-N 1 1 288.301 3.137 20 30 CGEDMO C[N@H+](Cc1ccccc1O)Cc1ccc(F)cc1C#N ZINC000109773251 637267312 /nfs/dbraw/zinc/26/73/12/637267312.db2.gz PRWTYLOUQCINTG-UHFFFAOYSA-N 1 1 270.307 3.035 20 30 CGEDMO C[N@@H+](Cc1ccccc1O)Cc1ccc(F)cc1C#N ZINC000109773251 637267319 /nfs/dbraw/zinc/26/73/19/637267319.db2.gz PRWTYLOUQCINTG-UHFFFAOYSA-N 1 1 270.307 3.035 20 30 CGEDMO C[N@H+](Cc1cccc(Cl)c1)C[C@H](O)CC1(C#N)CCC1 ZINC000885946951 637325419 /nfs/dbraw/zinc/32/54/19/637325419.db2.gz WCJICRKSRZZPMC-OAHLLOKOSA-N 1 1 292.810 3.217 20 30 CGEDMO C#CC[N@@H+](C[C@@H]1C[C@@]12CCOC2)[C@H]1CCc2ccccc21 ZINC000885965337 637335199 /nfs/dbraw/zinc/33/51/99/637335199.db2.gz MPOYCIQWFKQWAN-YTQUADARSA-N 1 1 281.399 3.036 20 30 CGEDMO CC[C@H]1Cc2ccccc2C[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886138670 637431614 /nfs/dbraw/zinc/43/16/14/637431614.db2.gz QTOHFSYKPMDOLV-ROUUACIJSA-N 1 1 298.430 3.268 20 30 CGEDMO CC(C)C[C@@]1(C)CCC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886223389 637464609 /nfs/dbraw/zinc/46/46/09/637464609.db2.gz KPNWVFMGQZCRJY-JKSUJKDBSA-N 1 1 278.440 3.332 20 30 CGEDMO CSc1ccc(C[NH2+]Cc2cn(C3CC3)cn2)cc1C#N ZINC000886276969 637479710 /nfs/dbraw/zinc/47/97/10/637479710.db2.gz BTAGEQMDHKZSJW-UHFFFAOYSA-N 1 1 298.415 3.101 20 30 CGEDMO C#CC[C@H]1CC[N@H+](CC(=O)Nc2ccc3ccccc3c2)C1 ZINC000886359833 637512509 /nfs/dbraw/zinc/51/25/09/637512509.db2.gz KQGWCIRUEMRWDL-HNNXBMFYSA-N 1 1 292.382 3.124 20 30 CGEDMO C#CC[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000886357893 637512610 /nfs/dbraw/zinc/51/26/10/637512610.db2.gz MZPGGXZYTMADBN-QWHCGFSZSA-N 1 1 258.321 3.001 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2sc(C)nc2C(F)(F)F)C1 ZINC000886364033 637514661 /nfs/dbraw/zinc/51/46/61/637514661.db2.gz MSGULZIGBJASQP-JTQLQIEISA-N 1 1 288.338 3.316 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2noc3c2CC(C)(C)CC3)C1 ZINC000886365381 637516311 /nfs/dbraw/zinc/51/63/11/637516311.db2.gz HFYUWXNZCLLBRY-ZDUSSCGKSA-N 1 1 272.392 3.035 20 30 CGEDMO C#CCOCC[N@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000851855747 637524170 /nfs/dbraw/zinc/52/41/70/637524170.db2.gz VRBZOJOYTRCYLU-OAHLLOKOSA-N 1 1 284.359 3.005 20 30 CGEDMO N#Cc1cccc([C@@H]2C[N@H+](CCC3CCC3)CCO2)c1 ZINC000851881580 637530942 /nfs/dbraw/zinc/53/09/42/637530942.db2.gz LRHWHBUYERNKIV-KRWDZBQOSA-N 1 1 270.376 3.122 20 30 CGEDMO N#Cc1cccc([C@@H]2C[N@@H+](CCC3CCC3)CCO2)c1 ZINC000851881580 637530949 /nfs/dbraw/zinc/53/09/49/637530949.db2.gz LRHWHBUYERNKIV-KRWDZBQOSA-N 1 1 270.376 3.122 20 30 CGEDMO C=C(C)CN1CCC([NH2+][C@H](C)c2c(O)cccc2F)CC1 ZINC000886525156 637552668 /nfs/dbraw/zinc/55/26/68/637552668.db2.gz YQTNUARHWMGROI-CYBMUJFWSA-N 1 1 292.398 3.222 20 30 CGEDMO C#C[C@](C)(CC)[NH2+][C@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000852098480 637592122 /nfs/dbraw/zinc/59/21/22/637592122.db2.gz OISOJINCMRRCEK-CXAGYDPISA-N 1 1 283.375 3.498 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+]Cc1csc([C@H](C)OCC)n1 ZINC000852102270 637596006 /nfs/dbraw/zinc/59/60/06/637596006.db2.gz KLRDWLSZQAGXBN-FZMZJTMJSA-N 1 1 266.410 3.132 20 30 CGEDMO CCCCCCCN1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000852122155 637600003 /nfs/dbraw/zinc/60/00/03/637600003.db2.gz HLHJTQBGSJPTNI-UHFFFAOYSA-N 1 1 284.488 3.029 20 30 CGEDMO CC/C=C/CC[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852332308 637637096 /nfs/dbraw/zinc/63/70/96/637637096.db2.gz QQBRUKUEXVGOTE-REMYHPOOSA-N 1 1 269.392 3.295 20 30 CGEDMO CC/C=C/CC[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852332308 637637104 /nfs/dbraw/zinc/63/71/04/637637104.db2.gz QQBRUKUEXVGOTE-REMYHPOOSA-N 1 1 269.392 3.295 20 30 CGEDMO C=CC[N@@H+](C[C@]1(C)CC1(Cl)Cl)[C@H](C)COC ZINC000852356581 637641640 /nfs/dbraw/zinc/64/16/40/637641640.db2.gz IULZRHHJKZTXDW-MNOVXSKESA-N 1 1 266.212 3.093 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](C[C@H](O)c2c(F)cccc2F)C1 ZINC000852410465 637649040 /nfs/dbraw/zinc/64/90/40/637649040.db2.gz MKFWLURSWUDIKW-DOMZBBRYSA-N 1 1 281.346 3.286 20 30 CGEDMO N#Cc1ccc(OCCC[N@@H+]2CCC[C@H](CCF)C2)cc1 ZINC000852532722 637674022 /nfs/dbraw/zinc/67/40/22/637674022.db2.gz LNYIARGEIWLXBV-MRXNPFEDSA-N 1 1 290.382 3.399 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC(C)=O)cc1)C(C)(C)C ZINC000852554712 637678325 /nfs/dbraw/zinc/67/83/25/637678325.db2.gz UYDHXIYBOMELBL-UHFFFAOYSA-N 1 1 261.365 3.398 20 30 CGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H](C3CCC3)C2)cc1 ZINC000852673778 637693610 /nfs/dbraw/zinc/69/36/10/637693610.db2.gz LRXZRWSCIHIGLS-ROUUACIJSA-N 1 1 284.403 3.104 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(=O)oc2cc(O)ccc12 ZINC000852686362 637695961 /nfs/dbraw/zinc/69/59/61/637695961.db2.gz SEJIGWRKNUPMFS-OKILXGFUSA-N 1 1 297.354 3.182 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c(Cl)c1 ZINC000886819624 637706553 /nfs/dbraw/zinc/70/65/53/637706553.db2.gz UVGQVSISIHEQAC-ZBFHGGJFSA-N 1 1 290.794 3.213 20 30 CGEDMO COc1cc2c(cc1O)CC[N@@H+](CCCC(C)(C)C#N)C2 ZINC000887105333 637750489 /nfs/dbraw/zinc/75/04/89/637750489.db2.gz QPFRMZODPFIVQA-UHFFFAOYSA-N 1 1 288.391 3.089 20 30 CGEDMO C#Cc1cccnc1NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000853337096 637814973 /nfs/dbraw/zinc/81/49/73/637814973.db2.gz VKVOPHWSVJHJLA-GOSISDBHSA-N 1 1 291.398 3.139 20 30 CGEDMO C=C(Cl)C[NH2+][C@H](CC)c1cccc(C#N)c1O ZINC000925438321 638503246 /nfs/dbraw/zinc/50/32/46/638503246.db2.gz XEKJBHGSLXHVNN-GFCCVEGCSA-N 1 1 250.729 3.057 20 30 CGEDMO C=CC[C@@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1ccncc1 ZINC000857854145 638578442 /nfs/dbraw/zinc/57/84/42/638578442.db2.gz CRQZOBLOLJXERK-CABCVRRESA-N 1 1 268.364 3.089 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000115740044 638609566 /nfs/dbraw/zinc/60/95/66/638609566.db2.gz JTCBIEZSLPVVRT-UHFFFAOYSA-N 1 1 269.747 3.421 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@H](Oc2ccc(C)cn2)C1 ZINC000858045390 638621864 /nfs/dbraw/zinc/62/18/64/638621864.db2.gz RSLSTEUNTLFOMH-HNNXBMFYSA-N 1 1 260.381 3.199 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@@H]2CCCc3scnc32)cc1 ZINC000858351362 638689792 /nfs/dbraw/zinc/68/97/92/638689792.db2.gz PTLFKXNQNMWCOX-CYBMUJFWSA-N 1 1 269.373 3.182 20 30 CGEDMO C[C@@H]1C[C@@H]([NH2+][C@@H](CCCC#N)c2ccccc2)c2ncnn21 ZINC000926479777 638775294 /nfs/dbraw/zinc/77/52/94/638775294.db2.gz MGERRMTWCPZSTR-VNQPRFMTSA-N 1 1 295.390 3.309 20 30 CGEDMO COc1cc([C@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)on1 ZINC000926673536 638797124 /nfs/dbraw/zinc/79/71/24/638797124.db2.gz YLQFCTBTUNVLKH-LBPRGKRZSA-N 1 1 297.358 3.285 20 30 CGEDMO CCc1onc(C)c1C[NH2+][C@H](CC)c1cccc(C#N)c1O ZINC000927131325 638846200 /nfs/dbraw/zinc/84/62/00/638846200.db2.gz JJHAZWQCEMBRNA-OAHLLOKOSA-N 1 1 299.374 3.364 20 30 CGEDMO C=CC[N@H+](C/C=C(/C)COC)Cc1cccs1 ZINC000929141163 638902462 /nfs/dbraw/zinc/90/24/62/638902462.db2.gz MZRWIYVNSSIGQU-QPEQYQDCSA-N 1 1 251.395 3.329 20 30 CGEDMO C[N@@H+](CCCCc1ccccc1)Cc1cncc(C#N)c1 ZINC000929288234 638915458 /nfs/dbraw/zinc/91/54/58/638915458.db2.gz GWDTUKATQNLQMD-UHFFFAOYSA-N 1 1 279.387 3.408 20 30 CGEDMO C[N@H+](Cc1cc(Cl)cc(C#N)c1)C[C@@H]1CCCCO1 ZINC000929330832 638919021 /nfs/dbraw/zinc/91/90/21/638919021.db2.gz PCEAGFCMVXQTHT-HNNXBMFYSA-N 1 1 278.783 3.213 20 30 CGEDMO COC(=O)[C@H](C)C[N@@H+](CCCCC1(C#N)CCC1)C1CC1 ZINC000929481309 638927378 /nfs/dbraw/zinc/92/73/78/638927378.db2.gz ZDAMDVKELBJKQS-CQSZACIVSA-N 1 1 292.423 3.124 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2cc(Cl)cc(C#N)c2)CCS1 ZINC000929517048 638930141 /nfs/dbraw/zinc/93/01/41/638930141.db2.gz DZHNQMPFJDHWBM-SNVBAGLBSA-N 1 1 266.797 3.149 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C#N)c2)CCS1 ZINC000929517048 638930143 /nfs/dbraw/zinc/93/01/43/638930143.db2.gz DZHNQMPFJDHWBM-SNVBAGLBSA-N 1 1 266.797 3.149 20 30 CGEDMO CCCC[N@@H+](CCOC)CC1CCC(C#N)CC1 ZINC000929613831 638934647 /nfs/dbraw/zinc/93/46/47/638934647.db2.gz IIVBVKRMPNDGRL-UHFFFAOYSA-N 1 1 252.402 3.065 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000929825437 638954781 /nfs/dbraw/zinc/95/47/81/638954781.db2.gz LQMKEFSCLRNOGZ-ZBFHGGJFSA-N 1 1 290.794 3.213 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCC[C@H]2c2ccc[nH]2)CC1 ZINC000929886946 638959327 /nfs/dbraw/zinc/95/93/27/638959327.db2.gz RFJLQSARJZALSC-XUJLQICISA-N 1 1 257.381 3.482 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)CCC1 ZINC000929992888 638966880 /nfs/dbraw/zinc/96/68/80/638966880.db2.gz XNDNFXWUAXSPET-OAHLLOKOSA-N 1 1 286.423 3.453 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)c1 ZINC000930071408 638972503 /nfs/dbraw/zinc/97/25/03/638972503.db2.gz GRMMBNKURNHTJQ-GJZGRUSLSA-N 1 1 290.794 3.070 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000930169443 638978933 /nfs/dbraw/zinc/97/89/33/638978933.db2.gz YRPBGGMYGLWYOU-INIZCTEOSA-N 1 1 280.375 3.235 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000930169443 638978934 /nfs/dbraw/zinc/97/89/34/638978934.db2.gz YRPBGGMYGLWYOU-INIZCTEOSA-N 1 1 280.375 3.235 20 30 CGEDMO N#CC1CCC(C[N@H+]2CC[C@@H](OCc3ccncc3)C2)CC1 ZINC000930292193 638988949 /nfs/dbraw/zinc/98/89/49/638988949.db2.gz IAVWYXVJDXVQMM-LEOMRAHMSA-N 1 1 299.418 3.002 20 30 CGEDMO CCOC[C@H]1CCCC[N@H+]1CC1CCC(C#N)CC1 ZINC000930697872 639055556 /nfs/dbraw/zinc/05/55/56/639055556.db2.gz TWOJHOPRBWYAIU-UYSNPLJNSA-N 1 1 264.413 3.207 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCO[C@@]3(CCSC3)C2)CCC1 ZINC000930812016 639070279 /nfs/dbraw/zinc/07/02/79/639070279.db2.gz GFVWBRDKERXSBR-INIZCTEOSA-N 1 1 294.464 3.058 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000930883753 639081696 /nfs/dbraw/zinc/08/16/96/639081696.db2.gz VZHMCAPQNNGMRM-MRXNPFEDSA-N 1 1 264.457 3.232 20 30 CGEDMO C=CC[N@H+](CCCCC1(C#N)CCC1)[C@H](C)COC ZINC000930932902 639088589 /nfs/dbraw/zinc/08/85/89/639088589.db2.gz NWUBCPCIYIQCMG-OAHLLOKOSA-N 1 1 264.413 3.373 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+](C)Cc1ccns1 ZINC000930952253 639089373 /nfs/dbraw/zinc/08/93/73/639089373.db2.gz BYSHAPMOWZVYFX-UHFFFAOYSA-N 1 1 271.389 3.264 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](C)Cc1ccns1 ZINC000930952253 639089376 /nfs/dbraw/zinc/08/93/76/639089376.db2.gz BYSHAPMOWZVYFX-UHFFFAOYSA-N 1 1 271.389 3.264 20 30 CGEDMO C#CCCCCCC[N@H+]1CCC[C@H]1c1ncccn1 ZINC000931054952 639103637 /nfs/dbraw/zinc/10/36/37/639103637.db2.gz RGIOSUBXOQFOGN-HNNXBMFYSA-N 1 1 257.381 3.197 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000931063813 639106275 /nfs/dbraw/zinc/10/62/75/639106275.db2.gz VRJVAGNNSJRVEN-RNJOBUHISA-N 1 1 275.314 3.279 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@@H](c3ccccn3)C2)cc1C#N ZINC000859290965 639124947 /nfs/dbraw/zinc/12/49/47/639124947.db2.gz CNPYNQRWVPUSGQ-MRXNPFEDSA-N 1 1 277.371 3.251 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000859444752 639141796 /nfs/dbraw/zinc/14/17/96/639141796.db2.gz ZCNUHVYLKDMFCL-LBPRGKRZSA-N 1 1 277.339 3.132 20 30 CGEDMO COc1cccc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)c1C ZINC000931473607 639158112 /nfs/dbraw/zinc/15/81/12/639158112.db2.gz AUOOGWUNISBFCU-DZGCQCFKSA-N 1 1 258.365 3.128 20 30 CGEDMO COc1cccc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)c1C ZINC000931473607 639158115 /nfs/dbraw/zinc/15/81/15/639158115.db2.gz AUOOGWUNISBFCU-DZGCQCFKSA-N 1 1 258.365 3.128 20 30 CGEDMO C[C@@H](c1ccc(F)nc1)[N@@H+](C)CCc1cccc(C#N)c1 ZINC000931510525 639162395 /nfs/dbraw/zinc/16/23/95/639162395.db2.gz UQWPURNCHRIIPF-ZDUSSCGKSA-N 1 1 283.350 3.328 20 30 CGEDMO CN1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCCC1(C#N)CCC1 ZINC000931621349 639182088 /nfs/dbraw/zinc/18/20/88/639182088.db2.gz KBFNGWPCUFMFKJ-JKSUJKDBSA-N 1 1 275.440 3.019 20 30 CGEDMO N#C[C@H]1CC[C@@H]([N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)C1 ZINC000859929366 639256670 /nfs/dbraw/zinc/25/66/70/639256670.db2.gz YMJIGYNPZCLGLW-XEIOYGOASA-N 1 1 266.388 3.414 20 30 CGEDMO Cc1cc(C)n(-c2ccc(C[N@@H+]3CCC[C@H](C#N)C3)cc2)n1 ZINC000932153833 639278459 /nfs/dbraw/zinc/27/84/59/639278459.db2.gz REGHQPDMZVHTAL-QGZVFWFLSA-N 1 1 294.402 3.225 20 30 CGEDMO Cc1cc(C)n(-c2ccc(C[N@H+]3CCC[C@H](C#N)C3)cc2)n1 ZINC000932153833 639278464 /nfs/dbraw/zinc/27/84/64/639278464.db2.gz REGHQPDMZVHTAL-QGZVFWFLSA-N 1 1 294.402 3.225 20 30 CGEDMO N#CCc1cccc2c1CC[N@@H+](CCc1cccs1)C2 ZINC000860106412 639282150 /nfs/dbraw/zinc/28/21/50/639282150.db2.gz ITFIUUGLIYEZJY-UHFFFAOYSA-N 1 1 282.412 3.415 20 30 CGEDMO N#CCC1(C[N@H+]2CCC[C@H](Cc3nccs3)C2)CC1 ZINC000932198618 639294119 /nfs/dbraw/zinc/29/41/19/639294119.db2.gz UDQRSMPVAZBQCW-CYBMUJFWSA-N 1 1 275.421 3.091 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000932204876 639295542 /nfs/dbraw/zinc/29/55/42/639295542.db2.gz SQKHUYVXWHQWTH-AWEZNQCLSA-N 1 1 297.427 3.469 20 30 CGEDMO C#CC[N@H+](Cc1ncc(-c2ccccc2)o1)C(C)C ZINC000932394504 639324657 /nfs/dbraw/zinc/32/46/57/639324657.db2.gz QPOMDKWPWQJTCM-UHFFFAOYSA-N 1 1 254.333 3.185 20 30 CGEDMO C#CC[N@@H+](Cc1ncc(-c2ccccc2)o1)C(C)C ZINC000932394504 639324665 /nfs/dbraw/zinc/32/46/65/639324665.db2.gz QPOMDKWPWQJTCM-UHFFFAOYSA-N 1 1 254.333 3.185 20 30 CGEDMO C#CC[N@H+](Cc1ncc(-c2ccccc2C)o1)C(C)C ZINC000932390403 639325323 /nfs/dbraw/zinc/32/53/23/639325323.db2.gz LPHUOCBERZDSBV-UHFFFAOYSA-N 1 1 268.360 3.494 20 30 CGEDMO C#CC[N@@H+](Cc1ncc(-c2ccccc2C)o1)C(C)C ZINC000932390403 639325336 /nfs/dbraw/zinc/32/53/36/639325336.db2.gz LPHUOCBERZDSBV-UHFFFAOYSA-N 1 1 268.360 3.494 20 30 CGEDMO C#CC[N@@H+](Cc1cnc(-c2ccccc2)nc1)C(C)(C)C ZINC000932462411 639337774 /nfs/dbraw/zinc/33/77/74/639337774.db2.gz YNQGCCPJFYSBMB-UHFFFAOYSA-N 1 1 279.387 3.377 20 30 CGEDMO CC[C@H]([NH2+]Cc1cncc(C#N)c1)c1cc(F)ccc1OC ZINC000932473011 639339202 /nfs/dbraw/zinc/33/92/02/639339202.db2.gz TURWZORKHVCELP-INIZCTEOSA-N 1 1 299.349 3.342 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CCn3cccc3C2)cc1 ZINC000932525784 639347206 /nfs/dbraw/zinc/34/72/06/639347206.db2.gz LLIGFFGLHSRUTI-UHFFFAOYSA-N 1 1 279.387 3.305 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCn3cccc3C2)cc1 ZINC000932525784 639347215 /nfs/dbraw/zinc/34/72/15/639347215.db2.gz LLIGFFGLHSRUTI-UHFFFAOYSA-N 1 1 279.387 3.305 20 30 CGEDMO C=C(Cl)C[NH+]1CCC2(CC1)C[C@@H](O)c1ccccc1O2 ZINC000933067465 639410502 /nfs/dbraw/zinc/41/05/02/639410502.db2.gz XXHIBJSLBZTLOA-CQSZACIVSA-N 1 1 293.794 3.090 20 30 CGEDMO CC/C=C\CC[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933627698 639470264 /nfs/dbraw/zinc/47/02/64/639470264.db2.gz HPZDTFLRPVMGEV-CWIOURORSA-N 1 1 270.376 3.288 20 30 CGEDMO CC/C=C\CC[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933627698 639470268 /nfs/dbraw/zinc/47/02/68/639470268.db2.gz HPZDTFLRPVMGEV-CWIOURORSA-N 1 1 270.376 3.288 20 30 CGEDMO C[C@]12C[N@@H+](Cc3ccc(C#N)o3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000933705846 639480641 /nfs/dbraw/zinc/48/06/41/639480641.db2.gz NDAYQUCQMMBLIQ-SHUKQUCYSA-N 1 1 256.349 3.019 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCSC[C@@H]2C2CC2)cc1 ZINC000933914314 639506609 /nfs/dbraw/zinc/50/66/09/639506609.db2.gz ILJGLSAVNKITCU-MRXNPFEDSA-N 1 1 272.417 3.276 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCCSC[C@@H]2C2CC2)cc1 ZINC000933917259 639507824 /nfs/dbraw/zinc/50/78/24/639507824.db2.gz IGCSALNARGMGMG-QGZVFWFLSA-N 1 1 286.444 3.470 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1[C@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000934466539 639613569 /nfs/dbraw/zinc/61/35/69/639613569.db2.gz SKVLGMUMVJZEOS-OCCSQVGLSA-N 1 1 299.374 3.457 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1[C@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000934466539 639613577 /nfs/dbraw/zinc/61/35/77/639613577.db2.gz SKVLGMUMVJZEOS-OCCSQVGLSA-N 1 1 299.374 3.457 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000934468843 639616012 /nfs/dbraw/zinc/61/60/12/639616012.db2.gz KVLJMIGZJPWQFJ-UKRRQHHQSA-N 1 1 283.375 3.372 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000934468843 639616017 /nfs/dbraw/zinc/61/60/17/639616017.db2.gz KVLJMIGZJPWQFJ-UKRRQHHQSA-N 1 1 283.375 3.372 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1cc(-c2cnn(C)c2C)no1 ZINC000934646147 639648012 /nfs/dbraw/zinc/64/80/12/639648012.db2.gz JIVGTNRDZHXVKJ-UHFFFAOYSA-N 1 1 288.395 3.172 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1cc(CO)ccc1F ZINC000934647713 639649681 /nfs/dbraw/zinc/64/96/81/639649681.db2.gz SEAOPOKAYGBZRV-UHFFFAOYSA-N 1 1 251.345 3.106 20 30 CGEDMO C=CCCC[N@H+](CC)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000934649456 639651222 /nfs/dbraw/zinc/65/12/22/639651222.db2.gz AMHOTFIANMKSLG-HNNXBMFYSA-N 1 1 291.439 3.006 20 30 CGEDMO NC(=[NH+]OCC[C@@H]1CCCO1)C12CC3CC(CC(C3)C1)C2 ZINC000189219134 640177943 /nfs/dbraw/zinc/17/79/43/640177943.db2.gz BDIRSDYHQFRROW-RDVIWEACSA-N 1 1 292.423 3.061 20 30 CGEDMO NC(=[NH+]OCc1cc(F)cc2cccnc21)C1CCCC1 ZINC000077375932 640233650 /nfs/dbraw/zinc/23/36/50/640233650.db2.gz KRLLIMLVTQEFTG-UHFFFAOYSA-N 1 1 287.338 3.353 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000245507097 640622438 /nfs/dbraw/zinc/62/24/38/640622438.db2.gz PHCMHCHOPFEYOJ-UONOGXRCSA-N 1 1 258.365 3.352 20 30 CGEDMO CC(C)C[C@@H]1CCCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000246100929 640657033 /nfs/dbraw/zinc/65/70/33/640657033.db2.gz WJOGHZURFCVRCB-ZWKOTPCHSA-N 1 1 286.419 3.492 20 30 CGEDMO CCCCCCCC[N@@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000246981076 640704552 /nfs/dbraw/zinc/70/45/52/640704552.db2.gz LVHDJHOYKYNIIA-KBPBESRZSA-N 1 1 277.474 3.100 20 30 CGEDMO C#CCCOc1ccc(C[N@H+](CC)C[C@H](C)C#N)cc1 ZINC000091983506 640727004 /nfs/dbraw/zinc/72/70/04/640727004.db2.gz KRMVPVXADOGXKA-OAHLLOKOSA-N 1 1 270.376 3.070 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+](CC)C[C@H](C)C#N)cc1 ZINC000091983506 640727009 /nfs/dbraw/zinc/72/70/09/640727009.db2.gz KRMVPVXADOGXKA-OAHLLOKOSA-N 1 1 270.376 3.070 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCOc1cccc(Cl)c1 ZINC000302810790 640818685 /nfs/dbraw/zinc/81/86/85/640818685.db2.gz WDBZDWARBQBRMQ-UHFFFAOYSA-N 1 1 260.164 3.403 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCOc1cccc(Cl)c1 ZINC000302810790 640818689 /nfs/dbraw/zinc/81/86/89/640818689.db2.gz WDBZDWARBQBRMQ-UHFFFAOYSA-N 1 1 260.164 3.403 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)c2cccs2)C1 ZINC001008499193 640952060 /nfs/dbraw/zinc/95/20/60/640952060.db2.gz JEXDCWWMBGDVFX-KBPBESRZSA-N 1 1 292.448 3.008 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)c2ccsc2)C1 ZINC001008496411 640952480 /nfs/dbraw/zinc/95/24/80/640952480.db2.gz CXSASJNQNKNTCZ-UKRRQHHQSA-N 1 1 292.448 3.008 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C)c2Cl)C1 ZINC001008917302 640954510 /nfs/dbraw/zinc/95/45/10/640954510.db2.gz ZNVGKKGSNFQEEA-CYBMUJFWSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C2CCC(C)(C)CC2)C1 ZINC001009669164 640962141 /nfs/dbraw/zinc/96/21/41/640962141.db2.gz QXNRTNXYQBMDJF-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(Cl)c2C)C1 ZINC001014523333 640973586 /nfs/dbraw/zinc/97/35/86/640973586.db2.gz PCPWMPZUKQCXII-CYBMUJFWSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)c2cccc3ccccc32)C1 ZINC001016164382 640993208 /nfs/dbraw/zinc/99/32/08/640993208.db2.gz MPOUDDJFGYGSEB-MRXNPFEDSA-N 1 1 294.398 3.220 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccs1 ZINC001017314871 641011953 /nfs/dbraw/zinc/01/19/53/641011953.db2.gz JROIZFPCGGTJHR-OKILXGFUSA-N 1 1 290.432 3.003 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C=C1CCCCC1 ZINC001017396416 641012352 /nfs/dbraw/zinc/01/23/52/641012352.db2.gz ZLPWGESCKSDPOE-CALCHBBNSA-N 1 1 288.435 3.128 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CCCC1 ZINC001017776916 641015847 /nfs/dbraw/zinc/01/58/47/641015847.db2.gz NUAJEAXIGORFHX-IYBDPMFKSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[C@H](C)C1 ZINC001017821645 641017026 /nfs/dbraw/zinc/01/70/26/641017026.db2.gz DPRDIJGBNSBWKU-VVLHAWIVSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CC1CCCC1 ZINC001018026354 641019903 /nfs/dbraw/zinc/01/99/03/641019903.db2.gz COBGZUCXFASKGY-BHYGNILZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CC1CCCC1 ZINC001018026354 641019907 /nfs/dbraw/zinc/01/99/07/641019907.db2.gz COBGZUCXFASKGY-BHYGNILZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(CC)CC ZINC001018288558 641021247 /nfs/dbraw/zinc/02/12/47/641021247.db2.gz IQYUDOARQSABQK-GASCZTMLSA-N 1 1 278.440 3.064 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)CCC=C(C)C ZINC001155401276 805577880 /nfs/dbraw/zinc/57/78/80/805577880.db2.gz XHEILLGEVQCTKX-IAGOWNOFSA-N 1 1 292.467 3.219 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)C[C@@H](C)CC ZINC001155484458 805586219 /nfs/dbraw/zinc/58/62/19/805586219.db2.gz HJVQNUMUKFXCMW-LSDHHAIUSA-N 1 1 282.472 3.461 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)CCCCCC ZINC001155924262 805626669 /nfs/dbraw/zinc/62/66/69/805626669.db2.gz FMTBJDQTLPITOU-DLBZAZTESA-N 1 1 294.483 3.443 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)C(CC)(CC)CC ZINC001156031447 805643855 /nfs/dbraw/zinc/64/38/55/805643855.db2.gz VCWCSEJTDKCCJH-OAHLLOKOSA-N 1 1 280.456 3.053 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)CC(C)C ZINC001156311187 805674694 /nfs/dbraw/zinc/67/46/94/805674694.db2.gz UQLSDCXDSRCKQS-JKSUJKDBSA-N 1 1 282.472 3.461 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)c1ccco1 ZINC001156421837 805689092 /nfs/dbraw/zinc/68/90/92/805689092.db2.gz NSQHUVKFWZADDE-LSDHHAIUSA-N 1 1 292.423 3.176 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001156540851 805711564 /nfs/dbraw/zinc/71/15/64/805711564.db2.gz JAVHLDCILILXIQ-BZUAXINKSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1cc(CC)c(C)s1 ZINC001156792631 805737539 /nfs/dbraw/zinc/73/75/39/805737539.db2.gz WJSIFZQFOIIHBW-GFCCVEGCSA-N 1 1 294.464 3.245 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1cccn1C(C)C ZINC001156927336 805755051 /nfs/dbraw/zinc/75/50/51/805755051.db2.gz LZFDEPMTLMOBML-OAHLLOKOSA-N 1 1 291.439 3.085 20 30 CGEDMO C=CCCCC[N@H+](C)C[C@H](O)c1cccc(OC)c1 ZINC001250714417 805760937 /nfs/dbraw/zinc/76/09/37/805760937.db2.gz QNRSLBLVFXICRY-INIZCTEOSA-N 1 1 263.381 3.017 20 30 CGEDMO CCCc1cc(N[C@H]2CC[C@H](C#N)CC2)nc(C)[nH+]1 ZINC001157055718 805770555 /nfs/dbraw/zinc/77/05/55/805770555.db2.gz RPUGNSORJPCMOQ-JOCQHMNTSA-N 1 1 258.369 3.232 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccoc1 ZINC001157529055 805828437 /nfs/dbraw/zinc/82/84/37/805828437.db2.gz OWEHELVXBSRPMW-MRXNPFEDSA-N 1 1 290.407 3.172 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@@H]1C[N@H+](C)C[C@@H](C)CC ZINC001157662123 805847141 /nfs/dbraw/zinc/84/71/41/805847141.db2.gz YGGXZFRTZYTFBO-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)CC1CCC1 ZINC001157754094 805861560 /nfs/dbraw/zinc/86/15/60/805861560.db2.gz BMTIHHIEBZDIHW-OAHLLOKOSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CC1CCC1 ZINC001157754094 805861569 /nfs/dbraw/zinc/86/15/69/805861569.db2.gz BMTIHHIEBZDIHW-OAHLLOKOSA-N 1 1 298.858 3.242 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)C1CC(C)C1 ZINC001157791659 805870981 /nfs/dbraw/zinc/87/09/81/805870981.db2.gz VSOOZJSNILRELF-OFLPRAFFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)CCCC ZINC001158011795 805912980 /nfs/dbraw/zinc/91/29/80/805912980.db2.gz PTQWRDJXQBPNLT-MRXNPFEDSA-N 1 1 280.456 3.456 20 30 CGEDMO Cc1ccc([C@@H](C)Nc2[nH+]c(C)ccc2CC#N)nc1 ZINC001158023253 805917842 /nfs/dbraw/zinc/91/78/42/805917842.db2.gz YOLIVUUBQYMGFI-CYBMUJFWSA-N 1 1 266.348 3.333 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C1(CCF)CC1 ZINC001158277500 805933521 /nfs/dbraw/zinc/93/35/21/805933521.db2.gz UOTJKTMQPZYSPD-OAHLLOKOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)C/C=C/Cl ZINC001158426932 805953448 /nfs/dbraw/zinc/95/34/48/805953448.db2.gz RXZKDQSUHXQKGJ-KUCQQTCKSA-N 1 1 298.858 3.408 20 30 CGEDMO CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCC(C)(C)C ZINC001158631407 805979423 /nfs/dbraw/zinc/97/94/23/805979423.db2.gz OUAMFMBLZYMDRN-MRXNPFEDSA-N 1 1 292.467 3.149 20 30 CGEDMO N#CC12CCC(Nc3nc(N4CCCC4)cc[nH+]3)(CC1)CC2 ZINC001158783986 806003238 /nfs/dbraw/zinc/00/32/38/806003238.db2.gz UUBJBOCQYOBMIE-UHFFFAOYSA-N 1 1 297.406 3.105 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@@H](OC)C1 ZINC001252121014 806007405 /nfs/dbraw/zinc/00/74/05/806007405.db2.gz BAYXWCSBFCMPEU-HZPDHXFCSA-N 1 1 271.445 3.209 20 30 CGEDMO CCCCCCCC[C@H](O)C[NH+]1CCN(C(C)C)CC1 ZINC001252122604 806008768 /nfs/dbraw/zinc/00/87/68/806008768.db2.gz XVJGGRZDWJDJNU-KRWDZBQOSA-N 1 1 284.488 3.124 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1C[C@@H](C)[C@@H](F)C1 ZINC001252123585 806010768 /nfs/dbraw/zinc/01/07/68/806010768.db2.gz JOXVFSIOGOIIRZ-ILXRZTDVSA-N 1 1 259.409 3.388 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@]1(C)C(=O)OC ZINC001252124397 806013200 /nfs/dbraw/zinc/01/32/00/806013200.db2.gz RBHSKVXPMIJRIA-NVXWUHKLSA-N 1 1 299.455 3.125 20 30 CGEDMO CCCCCCCC[C@H](O)C[NH+]1CCN(CC(C)C)CC1 ZINC001252127156 806014015 /nfs/dbraw/zinc/01/40/15/806014015.db2.gz XSUWICDDMIYIPV-SFHVURJKSA-N 1 1 298.515 3.372 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@]2(CCO2)C1 ZINC001252130649 806015741 /nfs/dbraw/zinc/01/57/41/806015741.db2.gz VQPNYODRZICXRD-IRXDYDNUSA-N 1 1 283.456 3.353 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CC[C@@H](N(C)C2CC2)C1 ZINC001252132185 806018621 /nfs/dbraw/zinc/01/86/21/806018621.db2.gz BLCXOTMFZGWDGB-QZTJIDSGSA-N 1 1 296.499 3.266 20 30 CGEDMO CCCCCCCC[C@@H](O)CN1CC[C@@H]([N@H+](C)C2CC2)C1 ZINC001252132185 806018626 /nfs/dbraw/zinc/01/86/26/806018626.db2.gz BLCXOTMFZGWDGB-QZTJIDSGSA-N 1 1 296.499 3.266 20 30 CGEDMO CCCCCCCC[C@@H](O)CN1CC[C@@H]([N@@H+](C)C2CC2)C1 ZINC001252132185 806018633 /nfs/dbraw/zinc/01/86/33/806018633.db2.gz BLCXOTMFZGWDGB-QZTJIDSGSA-N 1 1 296.499 3.266 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+](C)Cc1ccno1 ZINC001252133215 806020509 /nfs/dbraw/zinc/02/05/09/806020509.db2.gz NEJIFUHUQVZPDR-CQSZACIVSA-N 1 1 268.401 3.218 20 30 CGEDMO CCCCCCCC[C@@H](O)C[NH2+]Cc1nccc(Cl)n1 ZINC001252139616 806023049 /nfs/dbraw/zinc/02/30/49/806023049.db2.gz KHUUWFZJCNDXOM-CYBMUJFWSA-N 1 1 299.846 3.331 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)CCC2CCCC2)CC1 ZINC001159137928 806049151 /nfs/dbraw/zinc/04/91/51/806049151.db2.gz XZONNPCMBVKSOL-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO N#Cc1c2ccc(Cl)cc2sc1NC1=CC[NH2+]C1 ZINC001159216831 806061157 /nfs/dbraw/zinc/06/11/57/806061157.db2.gz ROKPBOAYOLUSTQ-UHFFFAOYSA-N 1 1 275.764 3.325 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC001252555488 806063719 /nfs/dbraw/zinc/06/37/19/806063719.db2.gz WCGIFXNVNUGXMM-HUUCEWRRSA-N 1 1 265.784 3.414 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001252602670 806081248 /nfs/dbraw/zinc/08/12/48/806081248.db2.gz DOZDDNFPICRTSC-CVEARBPZSA-N 1 1 251.414 3.216 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[NH+]1CC2(CCO2)C1 ZINC001252985879 806147137 /nfs/dbraw/zinc/14/71/37/806147137.db2.gz QWMHBJMLTUWVRL-MRXNPFEDSA-N 1 1 283.456 3.353 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)C(C)=C2CCCC2)CC1 ZINC001159819412 806179345 /nfs/dbraw/zinc/17/93/45/806179345.db2.gz BLCCZIHXJAPAPE-UHFFFAOYSA-N 1 1 288.435 3.201 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+](CCC)CCOC ZINC001253228859 806185300 /nfs/dbraw/zinc/18/53/00/806185300.db2.gz YIMMLDZZVJWFRP-INIZCTEOSA-N 1 1 271.445 3.232 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1CCCC[C@H]1C(C)=O ZINC001253238103 806189006 /nfs/dbraw/zinc/18/90/06/806189006.db2.gz AVBCNFDNPWTWFQ-SJORKVTESA-N 1 1 281.440 3.317 20 30 CGEDMO C=CCCCCCC[C@@H](O)CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC001253239748 806190846 /nfs/dbraw/zinc/19/08/46/806190846.db2.gz RTNJLOXGZKHTLR-QZTJIDSGSA-N 1 1 294.483 3.044 20 30 CGEDMO C=CCC(CC=C)C(=O)NCCC1=CC[N@@H+](C(C)C)CC1 ZINC001160253021 806242596 /nfs/dbraw/zinc/24/25/96/806242596.db2.gz HJDBCGXGEMEUHS-UHFFFAOYSA-N 1 1 290.451 3.302 20 30 CGEDMO C=C(C)CCC(=O)NCCC1=CC[N@@H+](CCC(=C)C)CC1 ZINC001160264576 806246561 /nfs/dbraw/zinc/24/65/61/806246561.db2.gz SAPIJEIPAUDWHS-UHFFFAOYSA-N 1 1 290.451 3.447 20 30 CGEDMO C=C[C@@H](O)C[N@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC001253584099 806263604 /nfs/dbraw/zinc/26/36/04/806263604.db2.gz JWQOEQIAZJOBIV-KGLIPLIRSA-N 1 1 296.208 3.133 20 30 CGEDMO C=C[C@@H](O)C[N@@H+](C[C@@H](O)c1ccc2ccccc2c1)C(C)C ZINC001253584175 806264876 /nfs/dbraw/zinc/26/48/76/806264876.db2.gz DWMFVEMNPJYWLI-RTBURBONSA-N 1 1 299.414 3.131 20 30 CGEDMO COC1CCC(CCNc2[nH+]c(C)ccc2CC#N)CC1 ZINC001160643970 806292165 /nfs/dbraw/zinc/29/21/65/806292165.db2.gz ZEPMNKUTCYBJJF-UHFFFAOYSA-N 1 1 287.407 3.463 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)C(C)(C)C2CCC2)CC1 ZINC001160793214 806304314 /nfs/dbraw/zinc/30/43/14/806304314.db2.gz UMFRSYLJKGZAAP-UHFFFAOYSA-N 1 1 290.451 3.137 20 30 CGEDMO Cc1cc(C)c(CNc2[nH+]ccc3[nH]cc(C#N)c32)c(O)c1 ZINC001160811456 806306164 /nfs/dbraw/zinc/30/61/64/806306164.db2.gz NBKBMVBEBFAUNT-UHFFFAOYSA-N 1 1 292.342 3.369 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)C[C@@H]2CC[C@H](C)C2)CC1 ZINC001160932949 806322439 /nfs/dbraw/zinc/32/24/39/806322439.db2.gz NZZUXMROCQHHIA-DOTOQJQBSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C[C@@H](C)[C@@H](C)C(=O)NCCC1=CC[N@@H+](CCCC)CC1 ZINC001160942402 806326707 /nfs/dbraw/zinc/32/67/07/806326707.db2.gz YNOUPLBCVJAVLI-HZPDHXFCSA-N 1 1 292.467 3.383 20 30 CGEDMO C[N@H+]1CCC[C@@H]1CCNc1nc(Cl)c(Cl)cc1C#N ZINC001160963905 806327529 /nfs/dbraw/zinc/32/75/29/806327529.db2.gz KBLPTWRVZYEIHF-SNVBAGLBSA-N 1 1 299.205 3.156 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1CNc1cc2ccsc2cn1 ZINC001160953562 806329637 /nfs/dbraw/zinc/32/96/37/806329637.db2.gz FOUKDSCLCZIEQV-ZDUSSCGKSA-N 1 1 273.405 3.359 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H](C)CC(=C)C)CC1 ZINC001160990637 806332274 /nfs/dbraw/zinc/33/22/74/806332274.db2.gz DQEAFWQEVXTOSK-MRXNPFEDSA-N 1 1 290.451 3.303 20 30 CGEDMO C#CC[N@H+](Cc1cc(OC)ccc1OC(F)F)CC1CC1 ZINC001254039380 806333707 /nfs/dbraw/zinc/33/37/07/806333707.db2.gz DPHAQUQUSCVUSM-UHFFFAOYSA-N 1 1 295.329 3.142 20 30 CGEDMO C=CCCCC(=O)NCCC1=CC[N@@H+](CC[C@@H](C)F)CC1 ZINC001161056335 806344036 /nfs/dbraw/zinc/34/40/36/806344036.db2.gz CYAIWWXLZJFGCE-OAHLLOKOSA-N 1 1 296.430 3.229 20 30 CGEDMO C=CCCCC(=O)NCCC1=CC[N@@H+](CC(C)C)CC1 ZINC001161061868 806344631 /nfs/dbraw/zinc/34/46/31/806344631.db2.gz FGFYVRVCSQTZAX-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)C[C@H]2C[C@@H]2C)CC1 ZINC001161113245 806350045 /nfs/dbraw/zinc/35/00/45/806350045.db2.gz PDJODEVHYGMCNF-DOTOQJQBSA-N 1 1 290.451 3.137 20 30 CGEDMO C[C@H]([NH2+][C@H]1CCCC[C@@H]1N(C)C)c1ccc(C#N)cc1F ZINC001254410539 806393578 /nfs/dbraw/zinc/39/35/78/806393578.db2.gz YMMXGFVJEPGMDM-ZLIFDBKOSA-N 1 1 289.398 3.221 20 30 CGEDMO C#CC[N@H+]([C@@H]1CCc2ccccc21)[C@H]1CCCN(C)CC1 ZINC001254526395 806442034 /nfs/dbraw/zinc/44/20/34/806442034.db2.gz RHPHZMCKYSAZOU-PKOBYXMFSA-N 1 1 282.431 3.093 20 30 CGEDMO C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@H]1CCCN(C)CC1 ZINC001254526395 806442037 /nfs/dbraw/zinc/44/20/37/806442037.db2.gz RHPHZMCKYSAZOU-PKOBYXMFSA-N 1 1 282.431 3.093 20 30 CGEDMO C#CCN([C@@H]1CCc2ccccc21)[C@H]1CCC[N@@H+](C)CC1 ZINC001254526395 806442043 /nfs/dbraw/zinc/44/20/43/806442043.db2.gz RHPHZMCKYSAZOU-PKOBYXMFSA-N 1 1 282.431 3.093 20 30 CGEDMO C#CCN([C@@H]1CCc2ccccc21)[C@H]1CCC[N@H+](C)CC1 ZINC001254526395 806442049 /nfs/dbraw/zinc/44/20/49/806442049.db2.gz RHPHZMCKYSAZOU-PKOBYXMFSA-N 1 1 282.431 3.093 20 30 CGEDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C#N)CC1 ZINC001254559491 806450086 /nfs/dbraw/zinc/45/00/86/806450086.db2.gz KBYNKSCNCZNKRF-ZIAGYGMSSA-N 1 1 287.363 3.151 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(NCc2ccnn2C)cc1 ZINC001161876869 806476327 /nfs/dbraw/zinc/47/63/27/806476327.db2.gz NIXUYSYOGOZINQ-SFHVURJKSA-N 1 1 296.418 3.355 20 30 CGEDMO C[N@@H+](CCc1cccc(C(F)(F)F)n1)[C@H]1CC[C@@H](C#N)C1 ZINC001254660292 806477710 /nfs/dbraw/zinc/47/77/10/806477710.db2.gz HEZBTXQXYCYDGB-YPMHNXCESA-N 1 1 297.324 3.267 20 30 CGEDMO C[C@@H]1C[N@@H+]([C@H]2CC[C@H](C#N)C2)[C@@H](C)CN1Cc1ccccc1 ZINC001254660726 806477933 /nfs/dbraw/zinc/47/79/33/806477933.db2.gz LHOJKZMQEVSADS-NEPXVJNWSA-N 1 1 297.446 3.273 20 30 CGEDMO C[C@@H]1CN([C@H]2CC[C@H](C#N)C2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001254660726 806477937 /nfs/dbraw/zinc/47/79/37/806477937.db2.gz LHOJKZMQEVSADS-NEPXVJNWSA-N 1 1 297.446 3.273 20 30 CGEDMO C[C@@H]1CN([C@H]2CC[C@H](C#N)C2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001254660726 806477941 /nfs/dbraw/zinc/47/79/41/806477941.db2.gz LHOJKZMQEVSADS-NEPXVJNWSA-N 1 1 297.446 3.273 20 30 CGEDMO CC(C)[N@H+](CC(=O)c1ccccc1)[C@@H]1CC[C@H](C#N)C1 ZINC001254667603 806479271 /nfs/dbraw/zinc/47/92/71/806479271.db2.gz BNEUTUCHPKWWKL-GOEBONIOSA-N 1 1 270.376 3.272 20 30 CGEDMO CC(C)[N@@H+](CC(=O)c1ccccc1)[C@@H]1CC[C@H](C#N)C1 ZINC001254667603 806479274 /nfs/dbraw/zinc/47/92/74/806479274.db2.gz BNEUTUCHPKWWKL-GOEBONIOSA-N 1 1 270.376 3.272 20 30 CGEDMO C[N@@H+](Cc1cccc2cccnc21)[C@H]1CC[C@H](C#N)C1 ZINC001254668808 806480173 /nfs/dbraw/zinc/48/01/73/806480173.db2.gz LPALBJZDPMAHIF-BBRMVZONSA-N 1 1 265.360 3.359 20 30 CGEDMO CC[N@@H+](Cc1cccc(F)c1F)[C@H]1CC[C@@H](C#N)C1 ZINC001254670290 806481358 /nfs/dbraw/zinc/48/13/58/806481358.db2.gz AICAUKWRPALPGT-YPMHNXCESA-N 1 1 264.319 3.479 20 30 CGEDMO C[N@H+](Cc1cccc(F)c1F)[C@@H]1CC[C@H](C#N)C1 ZINC001254673066 806482857 /nfs/dbraw/zinc/48/28/57/806482857.db2.gz GQYZATHPASKJPV-CMPLNLGQSA-N 1 1 250.292 3.089 20 30 CGEDMO C[N@@H+](Cc1cccc(F)c1F)[C@@H]1CC[C@H](C#N)C1 ZINC001254673066 806482860 /nfs/dbraw/zinc/48/28/60/806482860.db2.gz GQYZATHPASKJPV-CMPLNLGQSA-N 1 1 250.292 3.089 20 30 CGEDMO C=CCc1cc(C)c[nH+]c1NCCn1nc(C)cc1C ZINC001162144206 806513902 /nfs/dbraw/zinc/51/39/02/806513902.db2.gz SUTSCCONXKVVER-UHFFFAOYSA-N 1 1 270.380 3.044 20 30 CGEDMO N#CCC[N@H+](Cc1ccccc1)[C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254942682 806516659 /nfs/dbraw/zinc/51/66/59/806516659.db2.gz JLBFCHAXGYOCRD-FVQHAEBGSA-N 1 1 282.387 3.160 20 30 CGEDMO N#CCC[N@@H+](Cc1ccccc1)[C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254942682 806516668 /nfs/dbraw/zinc/51/66/68/806516668.db2.gz JLBFCHAXGYOCRD-FVQHAEBGSA-N 1 1 282.387 3.160 20 30 CGEDMO CC[C@@H](CC#N)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC001255155711 806557296 /nfs/dbraw/zinc/55/72/96/806557296.db2.gz SVAZILZBLDKYDF-INIZCTEOSA-N 1 1 289.398 3.072 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(Br)c(OC)c1 ZINC001255163130 806561037 /nfs/dbraw/zinc/56/10/37/806561037.db2.gz BZRXZOOAMKTFTC-NSHDSACASA-N 1 1 297.196 3.240 20 30 CGEDMO CC[C@H](CC#N)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001255164877 806562979 /nfs/dbraw/zinc/56/29/79/806562979.db2.gz PNAHWMQRKRGCHE-SOLBZPMBSA-N 1 1 285.435 3.273 20 30 CGEDMO CC[C@H](CC#N)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1CC ZINC001255178781 806572013 /nfs/dbraw/zinc/57/20/13/806572013.db2.gz JPZHXVGHDNMGEU-MSOLQXFVSA-N 1 1 285.435 3.275 20 30 CGEDMO CC[C@H](CC#N)N[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255388792 806630816 /nfs/dbraw/zinc/63/08/16/806630816.db2.gz HTFFGBCVSOYUCQ-QZTJIDSGSA-N 1 1 285.435 3.323 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+][C@H]1CCCN(Cc2ccccc2)CC1 ZINC001255393807 806633142 /nfs/dbraw/zinc/63/31/42/806633142.db2.gz RKDJKZWTBUNUFK-OALUTQOASA-N 1 1 284.447 3.433 20 30 CGEDMO Cc1cc(F)c(C#N)c(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC001162800338 806667819 /nfs/dbraw/zinc/66/78/19/806667819.db2.gz YHDLPJVLKDDJKX-NWDGAFQWSA-N 1 1 273.355 3.043 20 30 CGEDMO C=CCn1c(C)nn(C[N@@H+](CC)C2CCCC2)c1=S ZINC000123991283 798997009 /nfs/dbraw/zinc/99/70/09/798997009.db2.gz DFBFULYOAUIRLV-UHFFFAOYSA-N 1 1 280.441 3.131 20 30 CGEDMO C=CCn1c(C)nn(C[N@H+](CC)C2CCCC2)c1=S ZINC000123991283 798997019 /nfs/dbraw/zinc/99/70/19/798997019.db2.gz DFBFULYOAUIRLV-UHFFFAOYSA-N 1 1 280.441 3.131 20 30 CGEDMO C#C[C@H](C)Nc1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001163159955 806708319 /nfs/dbraw/zinc/70/83/19/806708319.db2.gz QTMHIRBPJYCXCT-HNNXBMFYSA-N 1 1 291.398 3.074 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+]([C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC001255718675 806716723 /nfs/dbraw/zinc/71/67/23/806716723.db2.gz VVUNXTPKRFINOQ-SRVKXCTJSA-N 1 1 260.303 3.343 20 30 CGEDMO N#C[C@@H]1CCC[N@H+]([C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC001255718675 806716725 /nfs/dbraw/zinc/71/67/25/806716725.db2.gz VVUNXTPKRFINOQ-SRVKXCTJSA-N 1 1 260.303 3.343 20 30 CGEDMO N#Cc1c[nH]c2cc[nH+]c(N[C@H]3CCc4c3cccc4O)c12 ZINC001163195518 806719065 /nfs/dbraw/zinc/71/90/65/806719065.db2.gz QSKXWWWGIHXGPQ-ZDUSSCGKSA-N 1 1 290.326 3.240 20 30 CGEDMO Cc1ccc(CC#N)c(N[C@@H]2CCc3c2cccc3O)[nH+]1 ZINC001163195894 806719571 /nfs/dbraw/zinc/71/95/71/806719571.db2.gz ZQTBUTJNZNHONI-OAHLLOKOSA-N 1 1 279.343 3.261 20 30 CGEDMO C=C[C@H](COC)[NH2+][C@H](C)c1ccccc1Br ZINC000309597012 799218538 /nfs/dbraw/zinc/21/85/38/799218538.db2.gz WLBWMRJUCVVUAB-GHMZBOCLSA-N 1 1 284.197 3.301 20 30 CGEDMO C#CC[N@H+](C)CCCNC1c2ccccc2-c2ccccc21 ZINC000328311253 799251686 /nfs/dbraw/zinc/25/16/86/799251686.db2.gz XANCAUJSQOLMCC-UHFFFAOYSA-N 1 1 290.410 3.301 20 30 CGEDMO C#CC[N@@H+](C)CCCNC1c2ccccc2-c2ccccc21 ZINC000328311253 799251693 /nfs/dbraw/zinc/25/16/93/799251693.db2.gz XANCAUJSQOLMCC-UHFFFAOYSA-N 1 1 290.410 3.301 20 30 CGEDMO C#CC[NH+](CC#C)[C@H](C)CSc1ccc(C)cc1 ZINC001255771427 806742735 /nfs/dbraw/zinc/74/27/35/806742735.db2.gz RYHSXKRLLQGEQC-OAHLLOKOSA-N 1 1 257.402 3.044 20 30 CGEDMO C[C@H](C[N@@H+](C)Cc1ccc(C#N)cc1)C(F)(F)F ZINC000441151498 799615223 /nfs/dbraw/zinc/61/52/23/799615223.db2.gz BLKAYCTYCPLKAP-SNVBAGLBSA-N 1 1 256.271 3.188 20 30 CGEDMO C#CC[N@@H+](Cc1ccsc1C(=O)OC)C1CCCCC1 ZINC000688874411 799756873 /nfs/dbraw/zinc/75/68/73/799756873.db2.gz KJBAOLVESSACQY-UHFFFAOYSA-N 1 1 291.416 3.303 20 30 CGEDMO C#CC[N@H+](Cc1ccsc1C(=O)OC)C1CCCCC1 ZINC000688874411 799756878 /nfs/dbraw/zinc/75/68/78/799756878.db2.gz KJBAOLVESSACQY-UHFFFAOYSA-N 1 1 291.416 3.303 20 30 CGEDMO CCC[N@H+](CCC#N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001255914688 806788786 /nfs/dbraw/zinc/78/87/86/806788786.db2.gz KIIVIMCYIHLZAW-AWEZNQCLSA-N 1 1 295.427 3.012 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001255914688 806788790 /nfs/dbraw/zinc/78/87/90/806788790.db2.gz KIIVIMCYIHLZAW-AWEZNQCLSA-N 1 1 295.427 3.012 20 30 CGEDMO COc1cc(C[N@@H+](C)[C@@H]2CC[C@@H](SC)C2)ccc1C#N ZINC000708305709 799985619 /nfs/dbraw/zinc/98/56/19/799985619.db2.gz YDBOMCQGBDZVAQ-HUUCEWRRSA-N 1 1 290.432 3.283 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@H](c3nccs3)C2)ccc1F ZINC000710457495 800035056 /nfs/dbraw/zinc/03/50/56/800035056.db2.gz SWLWVZGTLLSJHO-LBPRGKRZSA-N 1 1 287.363 3.143 20 30 CGEDMO CC1(C)C[C@@H](C[N@H+]2CCC[C@H](CC#N)C2)C(C)(C)O1 ZINC000711278620 800051336 /nfs/dbraw/zinc/05/13/36/800051336.db2.gz JIOVVIVGNOODGA-KGLIPLIRSA-N 1 1 264.413 3.206 20 30 CGEDMO CCc1[nH+]c(C)cn1CCCOc1ccc(C#N)cc1 ZINC000715093016 800129548 /nfs/dbraw/zinc/12/95/48/800129548.db2.gz WAJKYYKRKXPVHH-UHFFFAOYSA-N 1 1 269.348 3.095 20 30 CGEDMO CC(=O)C=C(C)Nc1ccc([C@H]2CCCC[N@@H+]2C)cn1 ZINC001163738269 806812568 /nfs/dbraw/zinc/81/25/68/806812568.db2.gz VRHBNIDYPGDFNF-KUGGDMIFSA-N 1 1 273.380 3.143 20 30 CGEDMO CC(=O)CC(C)=Nc1ccc([C@H]2CCCC[N@H+]2C)cn1 ZINC001163738269 806812591 /nfs/dbraw/zinc/81/25/91/806812591.db2.gz VRHBNIDYPGDFNF-KUGGDMIFSA-N 1 1 273.380 3.143 20 30 CGEDMO CC(=O)CC(C)=Nc1ccc([C@H]2CCCC[N@@H+]2C)cn1 ZINC001163738269 806812599 /nfs/dbraw/zinc/81/25/99/806812599.db2.gz VRHBNIDYPGDFNF-KUGGDMIFSA-N 1 1 273.380 3.143 20 30 CGEDMO C[C@H]1[C@@H](Nc2ccc(C(F)(F)F)c(C#N)c2)CC[N@H+]1C ZINC000719626118 800246778 /nfs/dbraw/zinc/24/67/78/800246778.db2.gz QLHKOEPQRHYRJO-ZANVPECISA-N 1 1 283.297 3.082 20 30 CGEDMO C[C@@H]1[C@H](Nc2ccc(C(F)(F)F)c(C#N)c2)CC[N@H+]1C ZINC000719626112 800247320 /nfs/dbraw/zinc/24/73/20/800247320.db2.gz QLHKOEPQRHYRJO-NOZJJQNGSA-N 1 1 283.297 3.082 20 30 CGEDMO C[N@@H+](Cc1cncc(C#N)c1)C1CCC(C)(C)CC1 ZINC000721562208 800294637 /nfs/dbraw/zinc/29/46/37/800294637.db2.gz UHOOAZROVSXISI-UHFFFAOYSA-N 1 1 257.381 3.354 20 30 CGEDMO CC(C)(C)C[C@H]1CC[N@@H+](Cc2cncc(C#N)c2)C1 ZINC000721616445 800296581 /nfs/dbraw/zinc/29/65/81/800296581.db2.gz YRJSMVVNBAPISN-CYBMUJFWSA-N 1 1 257.381 3.211 20 30 CGEDMO C#CC[C@H]([NH2+][C@H](C)c1cc2n(n1)CCC2)c1ccccc1 ZINC000840733754 800500075 /nfs/dbraw/zinc/50/00/75/800500075.db2.gz YDGNPKWBYDCYOE-PBHICJAKSA-N 1 1 279.387 3.245 20 30 CGEDMO COc1nccc(C[NH2+]C(C)(C)c2cccc(C#N)c2)c1F ZINC000895330992 800581690 /nfs/dbraw/zinc/58/16/90/800581690.db2.gz ZSHUNOMDVCOLRC-UHFFFAOYSA-N 1 1 299.349 3.126 20 30 CGEDMO COc1cc(C#N)ccc1C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000932383797 800661623 /nfs/dbraw/zinc/66/16/23/800661623.db2.gz NMTRHUNDVGIABW-GOSISDBHSA-N 1 1 293.370 3.203 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)c2ccc(C)cc2C)CC1 ZINC001001420939 800696829 /nfs/dbraw/zinc/69/68/29/800696829.db2.gz WJTZXUABRPDZAD-UHFFFAOYSA-N 1 1 298.430 3.241 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](CNC(=O)c2ccc(C=C)cc2)C1 ZINC001023603988 800713049 /nfs/dbraw/zinc/71/30/49/800713049.db2.gz GUTDTNBBFYNPFM-QGZVFWFLSA-N 1 1 298.430 3.348 20 30 CGEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CCCC)cc1 ZINC001024587152 800729605 /nfs/dbraw/zinc/72/96/05/800729605.db2.gz AUXZOQKRYZVFPF-SFHVURJKSA-N 1 1 298.430 3.052 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)C1CC2(CCC2)C1 ZINC001024596978 800730313 /nfs/dbraw/zinc/73/03/13/800730313.db2.gz LWHAIOOZRQGRLZ-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1csc(Cl)c1 ZINC001024693070 800735075 /nfs/dbraw/zinc/73/50/75/800735075.db2.gz VOBXVAKBUJWONE-LBPRGKRZSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C=C)cc1 ZINC001024671745 800735459 /nfs/dbraw/zinc/73/54/59/800735459.db2.gz KDZPGIKSSNVTTG-KRWDZBQOSA-N 1 1 284.403 3.100 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)F ZINC001025189921 800746704 /nfs/dbraw/zinc/74/67/04/800746704.db2.gz SXUSBDMABMLTGO-HUUCEWRRSA-N 1 1 296.430 3.156 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCC ZINC001025190927 800746863 /nfs/dbraw/zinc/74/68/63/800746863.db2.gz CVXVVMHIGLHCIY-HOTGVXAUSA-N 1 1 278.440 3.208 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC1CC1 ZINC001025189515 800747395 /nfs/dbraw/zinc/74/73/95/800747395.db2.gz QOPSTHONNPTRDI-SJORKVTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)C ZINC001025203664 800748697 /nfs/dbraw/zinc/74/86/97/800748697.db2.gz JASJAMQANSATHP-CVEARBPZSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(C)s2)C1 ZINC001025327342 800756986 /nfs/dbraw/zinc/75/69/86/800756986.db2.gz WNWALZSEJLQLCX-UONOGXRCSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C2C(C)(C)C2(C)C)C1 ZINC001027353885 800790958 /nfs/dbraw/zinc/79/09/58/800790958.db2.gz UQWGBJLPMCBZEM-CQSZACIVSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC23CC3)C1 ZINC001027460685 800796719 /nfs/dbraw/zinc/79/67/19/800796719.db2.gz MVGVQXZQHKQHCX-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)CC2CC(C)C2)C1 ZINC001027522038 800799353 /nfs/dbraw/zinc/79/93/53/800799353.db2.gz PZCHSQBNAONVQY-UYSNPLJNSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@@H]([N@@H+](C)CCC3CC3)C2)C1 ZINC001027566378 800803786 /nfs/dbraw/zinc/80/37/86/800803786.db2.gz HSJGEDRLNYLKQU-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)C2CCCC2)C1 ZINC001027647009 800807330 /nfs/dbraw/zinc/80/73/30/800807330.db2.gz KNUBDQZWLHAZPA-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)C2(CC)CCCCC2)C1 ZINC001027689425 800810482 /nfs/dbraw/zinc/81/04/82/800810482.db2.gz CSRBOJSTYKEHBC-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001027688858 800810976 /nfs/dbraw/zinc/81/09/76/800810976.db2.gz BMKWTQQEZRSOPO-AEFFLSMTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C)cs1 ZINC001027874549 800824676 /nfs/dbraw/zinc/82/46/76/800824676.db2.gz OBEJYBMPCQIUIS-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC=CCCC1 ZINC001027963479 800826819 /nfs/dbraw/zinc/82/68/19/800826819.db2.gz LVBAMORWUCMGLE-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C)cc(Cl)c1 ZINC001028027682 800828830 /nfs/dbraw/zinc/82/88/30/800828830.db2.gz AYYJYHAQNSXPGR-OAHLLOKOSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001028123325 800832742 /nfs/dbraw/zinc/83/27/42/800832742.db2.gz QKZVCAUHUOLDML-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2ccccc2c1 ZINC001028278984 800837653 /nfs/dbraw/zinc/83/76/53/800837653.db2.gz HEEMMYUZZCVEPO-SFHVURJKSA-N 1 1 294.398 3.220 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2C(C)C)C1 ZINC001028584559 800850848 /nfs/dbraw/zinc/85/08/48/800850848.db2.gz ZEBDZRPDQFHNJK-HNNXBMFYSA-N 1 1 286.419 3.048 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CNC(=O)c2cccc(C3CC3)c2)C1 ZINC001029005715 800857969 /nfs/dbraw/zinc/85/79/69/800857969.db2.gz ASQNGVSMNIIOTK-OAHLLOKOSA-N 1 1 298.430 3.192 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CNC(=O)c2coc3ccccc23)C1 ZINC001029020063 800858149 /nfs/dbraw/zinc/85/81/49/800858149.db2.gz NUTKYNGMDDELLD-CQSZACIVSA-N 1 1 298.386 3.061 20 30 CGEDMO C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@@H](C)CC)C1 ZINC001029465213 800869752 /nfs/dbraw/zinc/86/97/52/800869752.db2.gz RFQYBZANFYPHEU-CWRNSKLLSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[NH+]1CC(NC(=O)C2CCC(C(C)(C)C)CC2)C1 ZINC001031344444 800909389 /nfs/dbraw/zinc/90/93/89/800909389.db2.gz ZXCCIIDPRPQEDU-UHFFFAOYSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(C)C)cc1 ZINC001032748931 800935462 /nfs/dbraw/zinc/93/54/62/800935462.db2.gz JPHBNWSKPZRQFY-ROUUACIJSA-N 1 1 298.430 3.285 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(CC)CCCCC1 ZINC001032797001 800936753 /nfs/dbraw/zinc/93/67/53/800936753.db2.gz GEPMXCIESCUDIW-HOTGVXAUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)s2)C1 ZINC001032873991 800941938 /nfs/dbraw/zinc/94/19/38/800941938.db2.gz MWKSNGOOXBBTCH-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001033101595 800953160 /nfs/dbraw/zinc/95/31/60/800953160.db2.gz HHIAXVPCYSJBQC-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C1CC(C)(C(=O)N(C)[C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC001033393379 800962919 /nfs/dbraw/zinc/96/29/19/800962919.db2.gz IMBVHKGLFZAXTA-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C)c(C)s2)C1 ZINC001033644184 800973443 /nfs/dbraw/zinc/97/34/43/800973443.db2.gz JGZYVGJELGOSRC-CQSZACIVSA-N 1 1 292.448 3.087 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C)c(C)s2)C1 ZINC001033644183 800973581 /nfs/dbraw/zinc/97/35/81/800973581.db2.gz JGZYVGJELGOSRC-AWEZNQCLSA-N 1 1 292.448 3.087 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(C3CC3)c2)C1 ZINC001033693295 800974788 /nfs/dbraw/zinc/97/47/88/800974788.db2.gz RXTYTDPTLNLVPS-SFHVURJKSA-N 1 1 298.430 3.286 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCCC2(C)C)C1 ZINC001033698000 800974964 /nfs/dbraw/zinc/97/49/64/800974964.db2.gz LTAUMNKYYWGNBU-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3c(cccc3C)o2)C1 ZINC001033698745 800975251 /nfs/dbraw/zinc/97/52/51/800975251.db2.gz XJTWGDWMLLIZFC-AWEZNQCLSA-N 1 1 298.386 3.074 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001033697997 800975733 /nfs/dbraw/zinc/97/57/33/800975733.db2.gz LTAUMNKYYWGNBU-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)CC2CCC(C)(C)CC2)C1 ZINC001033722748 800979283 /nfs/dbraw/zinc/97/92/83/800979283.db2.gz MDKZFEGWYUGPKG-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)C2CCC(=C)CC2)C1 ZINC001033946934 800990673 /nfs/dbraw/zinc/99/06/73/800990673.db2.gz ZAOVSNGJJAJSMG-KRWDZBQOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001033948705 800991903 /nfs/dbraw/zinc/99/19/03/800991903.db2.gz BSIWSNNZQLVPJK-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC23CCC3)C1 ZINC001033973499 800992786 /nfs/dbraw/zinc/99/27/86/800992786.db2.gz ZHJDIDVHBLFLAV-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(C)cc2)C1 ZINC001034022398 800994159 /nfs/dbraw/zinc/99/41/59/800994159.db2.gz AYIARWUNIMEQNO-KRWDZBQOSA-N 1 1 286.419 3.108 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C)c(C)c2)C1 ZINC001034032171 800995522 /nfs/dbraw/zinc/99/55/22/800995522.db2.gz MWHJOULMRARURD-QGZVFWFLSA-N 1 1 286.419 3.026 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@H](NC(=O)CC2CCCC2)C1 ZINC001034091333 801004667 /nfs/dbraw/zinc/00/46/67/801004667.db2.gz OPXNJNGGPPNJNZ-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO CSCCO[NH+]=Cc1sc(N2CCCCC2)nc1C ZINC001256376665 806878149 /nfs/dbraw/zinc/87/81/49/806878149.db2.gz LPXGRQADWNINNB-UHFFFAOYSA-N 1 1 299.465 3.155 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2occc2C(C)C)C1 ZINC001034359751 801021628 /nfs/dbraw/zinc/02/16/28/801021628.db2.gz BDGNWDAMCJOZRC-AWEZNQCLSA-N 1 1 290.407 3.173 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001034409893 801024558 /nfs/dbraw/zinc/02/45/58/801024558.db2.gz ZTMFDUDTRRMNFQ-BRWVUGGUSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC23CCC3)C1 ZINC001034420941 801026867 /nfs/dbraw/zinc/02/68/67/801026867.db2.gz CPIPUSSVTXJSPG-HOTGVXAUSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@H+]1CCC2(C1)CCN(C(=O)CC1CCCC1)CC2 ZINC001035155468 801051660 /nfs/dbraw/zinc/05/16/60/801051660.db2.gz XUFQWSIFEYBVJH-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC3(CC[N@H+](C(C)C)C3)CC2)C1 ZINC001035227226 801056668 /nfs/dbraw/zinc/05/66/68/801056668.db2.gz QMHXOBWNJHMSEK-UHFFFAOYSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)C(C)C)CC[C@H]21 ZINC001036725058 801089957 /nfs/dbraw/zinc/08/99/57/801089957.db2.gz QOAQCIHMCKHKRL-JKSUJKDBSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCC(=C)C)C1 ZINC001036788821 801090102 /nfs/dbraw/zinc/09/01/02/801090102.db2.gz HVHSTFUCBOUVQB-HZPDHXFCSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CN(C(=O)c3ccc(C=C)cc3)CC[C@@H]21 ZINC001036824661 801092513 /nfs/dbraw/zinc/09/25/13/801092513.db2.gz ASCSFQSKMGNDCA-ROUUACIJSA-N 1 1 296.414 3.052 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(CC)CCCC3)CC[C@H]21 ZINC001036858121 801092932 /nfs/dbraw/zinc/09/29/32/801092932.db2.gz UOPSYZPULOHNEO-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1scc(C)c1Cl ZINC001038284735 801123200 /nfs/dbraw/zinc/12/32/00/801123200.db2.gz RUAMZGXEVHMZRA-LLVKDONJSA-N 1 1 298.839 3.090 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1scc(C)c1Cl ZINC001038284735 801123205 /nfs/dbraw/zinc/12/32/05/801123205.db2.gz RUAMZGXEVHMZRA-LLVKDONJSA-N 1 1 298.839 3.090 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1ccc(Cl)cc1C ZINC001038657218 801130073 /nfs/dbraw/zinc/13/00/73/801130073.db2.gz KBRYFRXMYJQHEH-AWEZNQCLSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1ccc(Cl)cc1C ZINC001038657218 801130074 /nfs/dbraw/zinc/13/00/74/801130074.db2.gz KBRYFRXMYJQHEH-AWEZNQCLSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001038842978 801133558 /nfs/dbraw/zinc/13/35/58/801133558.db2.gz HTNVOIDMPGYZLH-ULQDDVLXSA-N 1 1 292.467 3.215 20 30 CGEDMO C[C@H](Cc1ccccn1)[N@H+](CCC#N)Cc1ccccc1 ZINC001256410392 806886761 /nfs/dbraw/zinc/88/67/61/806886761.db2.gz USBRRLAQKOLPKY-MRXNPFEDSA-N 1 1 279.387 3.428 20 30 CGEDMO C[C@H](Cc1ccccn1)[N@@H+](CCC#N)Cc1ccccc1 ZINC001256410392 806886770 /nfs/dbraw/zinc/88/67/70/806886770.db2.gz USBRRLAQKOLPKY-MRXNPFEDSA-N 1 1 279.387 3.428 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(C(F)F)c1 ZINC001038929690 801136994 /nfs/dbraw/zinc/13/69/94/801136994.db2.gz LIBMPORHYZSMGX-AWEZNQCLSA-N 1 1 294.345 3.004 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)cc(C)c1 ZINC001038965834 801137355 /nfs/dbraw/zinc/13/73/55/801137355.db2.gz ORUJSSQMHDIONS-QGZVFWFLSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1ccc2ccccc2c1 ZINC001038957833 801138345 /nfs/dbraw/zinc/13/83/45/801138345.db2.gz VJQDLLVXYNJPLF-SFHVURJKSA-N 1 1 294.398 3.220 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1ccc2ccccc2c1 ZINC001038957833 801138349 /nfs/dbraw/zinc/13/83/49/801138349.db2.gz VJQDLLVXYNJPLF-SFHVURJKSA-N 1 1 294.398 3.220 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)/C(C)=C\C)CC2)C1 ZINC001039120482 801148729 /nfs/dbraw/zinc/14/87/29/801148729.db2.gz AYISBTLKDCINRX-FLUNIGMLSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CC)C1 ZINC001039190869 801152385 /nfs/dbraw/zinc/15/23/85/801152385.db2.gz XNMBNHVEASZFDG-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC[C@H](C)F ZINC001039821844 801167175 /nfs/dbraw/zinc/16/71/75/801167175.db2.gz VGALIWLUMMPUAX-SOUVJXGZSA-N 1 1 296.430 3.012 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)F)C2)C1 ZINC001040037784 801170711 /nfs/dbraw/zinc/17/07/11/801170711.db2.gz GSAWYNMXNZKKNK-QGZVFWFLSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccccc3C)C2)C1 ZINC001040051563 801171631 /nfs/dbraw/zinc/17/16/31/801171631.db2.gz UOVBUBZNYWBWQU-IBGZPJMESA-N 1 1 298.430 3.109 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)/C(C)=C/C)C2)C1 ZINC001040145645 801174117 /nfs/dbraw/zinc/17/41/17/801174117.db2.gz PVZKCXIETHOBPO-BDSVNUEJSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C)C(C)C)C2)C1 ZINC001040424974 801176526 /nfs/dbraw/zinc/17/65/26/801176526.db2.gz OCZOBYBIWNUCIP-SJLPKXTDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)C3CCCC3)C2)C1 ZINC001040996223 801183585 /nfs/dbraw/zinc/18/35/85/801183585.db2.gz XNRQLMUPAPXBPX-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)c3ccc(C)cc3)C2)C1 ZINC001041802478 801193929 /nfs/dbraw/zinc/19/39/29/801193929.db2.gz SKEZTWUXZQRMSQ-IBGZPJMESA-N 1 1 298.430 3.109 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C3CCCCC3)C[C@H]21 ZINC001041911927 801197002 /nfs/dbraw/zinc/19/70/02/801197002.db2.gz ZILYVMHXHFHIRI-NVXWUHKLSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3(CC)CCC3)C[C@@H]21 ZINC001042192072 801202192 /nfs/dbraw/zinc/20/21/92/801202192.db2.gz WSCJLFJPGIRXJP-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3(CC)CC3)C[C@@H]21 ZINC001042223810 801203416 /nfs/dbraw/zinc/20/34/16/801203416.db2.gz GYLCQESASJKBRM-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[NH+]1CC(N(C)C(=O)c2ccc(C3CCC3)cc2)C1 ZINC001042853912 801215085 /nfs/dbraw/zinc/21/50/85/801215085.db2.gz TUFDIMQQPQPASK-UHFFFAOYSA-N 1 1 298.430 3.286 20 30 CGEDMO Cc1[nH+]c(N2CC[C@@H](C)C(F)(F)CC2)ccc1CC#N ZINC001164117766 806896333 /nfs/dbraw/zinc/89/63/33/806896333.db2.gz JEWWKYIMHUPCKM-LLVKDONJSA-N 1 1 279.334 3.328 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)C)C2 ZINC001045918260 801293323 /nfs/dbraw/zinc/29/33/23/801293323.db2.gz IJOZEZLZCYIRCC-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)C2=CCCCCC2)C1 ZINC001046254166 801304653 /nfs/dbraw/zinc/30/46/53/801304653.db2.gz JCORZOXCWYDAOB-KRWDZBQOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)c2cc(C)cs2)C1 ZINC001046299386 801307308 /nfs/dbraw/zinc/30/73/08/801307308.db2.gz KPHVDSVDCBZVJK-MRXNPFEDSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)c2csc(C)c2C)C1 ZINC001046344085 801308969 /nfs/dbraw/zinc/30/89/69/801308969.db2.gz HUOLHTPXRCFZQJ-INIZCTEOSA-N 1 1 292.448 3.135 20 30 CGEDMO C=C1CCC(C(=O)N[C@]2(C)CC[N@@H+](CCC3CC3)C2)CC1 ZINC001046594628 801316054 /nfs/dbraw/zinc/31/60/54/801316054.db2.gz LWIFTQGKLIGQEB-GOSISDBHSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C1CCC(C(=O)N[C@@]2(C)CC[N@H+](CC[C@@H](C)F)C2)CC1 ZINC001046593830 801316450 /nfs/dbraw/zinc/31/64/50/801316450.db2.gz AWLZCJUOGQQXQU-PBHICJAKSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C=C)cc2)C1 ZINC001046645302 801319559 /nfs/dbraw/zinc/31/95/59/801319559.db2.gz ZPCPTFSPOADWQO-SFHVURJKSA-N 1 1 284.403 3.100 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(C)cc2C)C1 ZINC001046814123 801324831 /nfs/dbraw/zinc/32/48/31/801324831.db2.gz HHGFBHFJMGSJTJ-SFHVURJKSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](C(C)C)C3)CC1 ZINC001047139557 801333227 /nfs/dbraw/zinc/33/32/27/801333227.db2.gz XOCZZQASKGKEJG-XIRDDKMYSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CCC1)C2 ZINC001048494336 801348917 /nfs/dbraw/zinc/34/89/17/801348917.db2.gz FRIYKFRJRQPIKE-ACHSLPGTSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CCCCC1 ZINC001049303142 801362192 /nfs/dbraw/zinc/36/21/92/801362192.db2.gz QTRNBXMKWKCZCA-IAGOWNOFSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CCCCCC1 ZINC001049372333 801369155 /nfs/dbraw/zinc/36/91/55/801369155.db2.gz IWSAALOMMSVDDC-IAGOWNOFSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)=C1CCC1 ZINC001049469488 801373346 /nfs/dbraw/zinc/37/33/46/801373346.db2.gz DBNSIRLXNSDMHE-DLBZAZTESA-N 1 1 288.435 3.128 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)C(=C)C ZINC001049641056 801379688 /nfs/dbraw/zinc/37/96/88/801379688.db2.gz ZUCFHXYETSPHCG-HOTGVXAUSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1(C)CCC1 ZINC001049644881 801380696 /nfs/dbraw/zinc/38/06/96/801380696.db2.gz KRRSHCODSQXUNR-HOTGVXAUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC(C)C ZINC001049639494 801380783 /nfs/dbraw/zinc/38/07/83/801380783.db2.gz PROYXCKJKLHGLM-JKSUJKDBSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1(CC)CCC1 ZINC001049662954 801382463 /nfs/dbraw/zinc/38/24/63/801382463.db2.gz KGSFTBWHKAIPOK-HZPDHXFCSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(C)ccc1C ZINC001049862549 801390628 /nfs/dbraw/zinc/39/06/28/801390628.db2.gz IOFQQVCTLHCQGU-MSOLQXFVSA-N 1 1 298.430 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H](C)C1CC1 ZINC001049923648 801393167 /nfs/dbraw/zinc/39/31/67/801393167.db2.gz WSPUJXMNBNQFJH-DJIMGWMZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](C)C1CC1 ZINC001049923647 801393246 /nfs/dbraw/zinc/39/32/46/801393246.db2.gz WSPUJXMNBNQFJH-BHYGNILZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)C3CCCCC3)[C@@H]2C1 ZINC001049957471 801395587 /nfs/dbraw/zinc/39/55/87/801395587.db2.gz BMUQZIWGXIWKBQ-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccccc2C)CC1 ZINC001052166779 801421871 /nfs/dbraw/zinc/42/18/71/801421871.db2.gz MAXINZAIXSFCIW-INIZCTEOSA-N 1 1 286.419 3.155 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2cccc(C)c2)CC1 ZINC001052174963 801424812 /nfs/dbraw/zinc/42/48/12/801424812.db2.gz CGKXGPUGHCYIGW-QGZVFWFLSA-N 1 1 286.419 3.155 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)C=C2CCCCC2)CC1 ZINC001052238355 801426571 /nfs/dbraw/zinc/42/65/71/801426571.db2.gz JDOHCBCYTKKYRZ-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)C2CCCCCC2)CC1 ZINC001052249233 801427024 /nfs/dbraw/zinc/42/70/24/801427024.db2.gz TVBXWQNJFFJXSS-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C[C@H]1C[C@H](NC2(C#N)CCC2)CC[N@H+]1Cc1ccccc1 ZINC001256521084 806909646 /nfs/dbraw/zinc/90/96/46/806909646.db2.gz ZHAQHLDKRWLVAZ-DOTOQJQBSA-N 1 1 283.419 3.075 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC23CC3)CC1 ZINC001052486912 801437274 /nfs/dbraw/zinc/43/72/74/801437274.db2.gz QNONSCKNQMKPAF-JKSUJKDBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC001052556530 801439454 /nfs/dbraw/zinc/43/94/54/801439454.db2.gz QIHWYCJOYPESFM-ARFHVFGLSA-N 1 1 292.467 3.215 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C(C)C)c2)CC1 ZINC001052842758 801453529 /nfs/dbraw/zinc/45/35/29/801453529.db2.gz AGWDBTYCBIBPGF-GOSISDBHSA-N 1 1 298.430 3.028 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C2(F)CCCCC2)CC1 ZINC001052843482 801454363 /nfs/dbraw/zinc/45/43/63/801454363.db2.gz MDDJKFMSGPGVGW-OAHLLOKOSA-N 1 1 296.430 3.206 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)/C(C)=C\C)C2 ZINC001054110371 801474110 /nfs/dbraw/zinc/47/41/10/801474110.db2.gz DQHMZTIUJPFOBO-RWFSNQMCSA-N 1 1 296.842 3.020 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@]3(CC[N@H+](CCC)C3)C2)C1 ZINC001054193510 801479667 /nfs/dbraw/zinc/47/96/67/801479667.db2.gz YMBAXHIRRKUUFH-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cccc(C)c2)CC[C@@H]1C ZINC001071316885 801526251 /nfs/dbraw/zinc/52/62/51/801526251.db2.gz LDAYIWYBUKSHKJ-RDJZCZTQSA-N 1 1 286.419 3.154 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)CC2CCCCC2)CC[C@@H]1C ZINC001071335373 801530618 /nfs/dbraw/zinc/53/06/18/801530618.db2.gz VCUWMDVAEDCKDG-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2ccsc2)CC[C@H]1C ZINC001071334902 801530936 /nfs/dbraw/zinc/53/09/36/801530936.db2.gz NGFPMWBYWZIKHK-UKRRQHHQSA-N 1 1 292.448 3.297 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)C=C2CCCCC2)CC[C@H]1C ZINC001071373645 801532321 /nfs/dbraw/zinc/53/23/21/801532321.db2.gz MLXYXLDEFILOQX-GDBMZVCRSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)C(C)=C2CCCC2)CC[C@H]1C ZINC001071420981 801536632 /nfs/dbraw/zinc/53/66/32/801536632.db2.gz WIDHWXVEUUMBCH-CZUORRHYSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C2=CCCCCC2)CC[C@H]1C ZINC001071457192 801537112 /nfs/dbraw/zinc/53/71/12/801537112.db2.gz GTEHFQVDQZZBAM-NVXWUHKLSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)C2CC(C)(C)C2)CC[C@H]1C ZINC001071482167 801538069 /nfs/dbraw/zinc/53/80/69/801538069.db2.gz UXQIYVZPEPSZDP-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2sc(C)cc2C)CC[C@@H]1C ZINC001071536663 801542861 /nfs/dbraw/zinc/54/28/61/801542861.db2.gz LSSBGVWIBJLJRQ-GXTWGEPZSA-N 1 1 292.448 3.134 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)C2(C)CCCCC2)CC[C@@H]1C ZINC001071792022 801551019 /nfs/dbraw/zinc/55/10/19/801551019.db2.gz CICWURHCTOXTCK-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CCCF)C2)CC1 ZINC001071794788 801552515 /nfs/dbraw/zinc/55/25/15/801552515.db2.gz FPHIQIXQMVLNMX-GOEBONIOSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2cccc(Cl)c2)CC[C@H]1C ZINC001072015448 801560678 /nfs/dbraw/zinc/56/06/78/801560678.db2.gz CZENMDKFKRSZIG-IUODEOHRSA-N 1 1 292.810 3.109 20 30 CGEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)C3(C)CCCCC3)C2)C1 ZINC001072940199 801575203 /nfs/dbraw/zinc/57/52/03/801575203.db2.gz QDHBEAHYBMOSLC-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)c3cc(C)ccc3C)[C@@H]2C1 ZINC001076498010 801619343 /nfs/dbraw/zinc/61/93/43/801619343.db2.gz ZBUQPLSEYUKWDW-FUHWJXTLSA-N 1 1 298.430 3.026 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001079947745 801650648 /nfs/dbraw/zinc/65/06/48/801650648.db2.gz LQZYUHMVKOJLSJ-IXDOHACOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2C[N@H+](CC=C(C)C)C[C@H]2C)CC1 ZINC001080384548 801651992 /nfs/dbraw/zinc/65/19/92/801651992.db2.gz DCHBHFVQSBRDDN-NVXWUHKLSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001080835805 801656361 /nfs/dbraw/zinc/65/63/61/801656361.db2.gz ONUWWPVHCKCZHB-RHSMWYFYSA-N 1 1 286.419 3.046 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001080815288 801657533 /nfs/dbraw/zinc/65/75/33/801657533.db2.gz KNAKXNFTZKIOSA-QBPKDAKJSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001081053783 801659154 /nfs/dbraw/zinc/65/91/54/801659154.db2.gz QTUNVPIJSGBMRW-ZIAGYGMSSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C3CCCCCC3)[C@@H]2C1 ZINC001084222233 801665389 /nfs/dbraw/zinc/66/53/89/801665389.db2.gz KLJQUWQVMFYQRK-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](CCC(C)C)C[C@H]21 ZINC001084573867 801668177 /nfs/dbraw/zinc/66/81/77/801668177.db2.gz DZPZKQYHSOMRKL-HZPDHXFCSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C1CCC2(CC2)CC1 ZINC001085728159 801701789 /nfs/dbraw/zinc/70/17/89/801701789.db2.gz QIUDMZXNHKDYGE-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC12CCCC2 ZINC001085909441 801710437 /nfs/dbraw/zinc/71/04/37/801710437.db2.gz JQVXPGLDOHCECQ-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1Cl ZINC001085938506 801711973 /nfs/dbraw/zinc/71/19/73/801711973.db2.gz IVYYMSFMKVMQKJ-CYBMUJFWSA-N 1 1 292.810 3.062 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C(C)C)cc1 ZINC001085942245 801712412 /nfs/dbraw/zinc/71/24/12/801712412.db2.gz BYVZGDGXDFEFFC-QGZVFWFLSA-N 1 1 286.419 3.142 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C(C)C)cc1 ZINC001085942245 801712417 /nfs/dbraw/zinc/71/24/17/801712417.db2.gz BYVZGDGXDFEFFC-QGZVFWFLSA-N 1 1 286.419 3.142 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccoc1C(C)C ZINC001085994247 801718863 /nfs/dbraw/zinc/71/88/63/801718863.db2.gz GSKYGJZOZPWKIR-CQSZACIVSA-N 1 1 290.407 3.125 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccoc1C(C)C ZINC001085994247 801718869 /nfs/dbraw/zinc/71/88/69/801718869.db2.gz GSKYGJZOZPWKIR-CQSZACIVSA-N 1 1 290.407 3.125 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CC(C)(C)C2)[C@H]1CC ZINC001087561260 801757667 /nfs/dbraw/zinc/75/76/67/801757667.db2.gz LVXNTCMPSWCCFH-UONOGXRCSA-N 1 1 298.858 3.144 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CC(C)(C)C2)[C@H]1CC ZINC001087561260 801757672 /nfs/dbraw/zinc/75/76/72/801757672.db2.gz LVXNTCMPSWCCFH-UONOGXRCSA-N 1 1 298.858 3.144 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2CC3(CCC3)C2)[C@H]1CC ZINC001087692714 801760947 /nfs/dbraw/zinc/76/09/47/801760947.db2.gz BHATUTRAMKNJMB-JKSUJKDBSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[N@H+](CCC)[C@@H]2CC)CC1 ZINC001087712018 801763898 /nfs/dbraw/zinc/76/38/98/801763898.db2.gz LFCHMZROPIZIGU-JKSUJKDBSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C)cc2C)[C@H]1CC ZINC001087817485 801768334 /nfs/dbraw/zinc/76/83/34/801768334.db2.gz SDXCKBNPTGBUQM-DLBZAZTESA-N 1 1 286.419 3.072 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2CCC=CCC2)[C@H]1CC ZINC001087832878 801769351 /nfs/dbraw/zinc/76/93/51/801769351.db2.gz BQDFILYWFQKQCL-DLBZAZTESA-N 1 1 290.451 3.278 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+](CCCC)CC[C@@H]2C1 ZINC001088093375 801773277 /nfs/dbraw/zinc/77/32/77/801773277.db2.gz UMWNTRWZPFMLOO-SOLBZPMBSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@@H+](CCCC)CC[C@@H]2C1 ZINC001088064872 801774227 /nfs/dbraw/zinc/77/42/27/801774227.db2.gz ZHNFIEARKFQQJB-CVEARBPZSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[N@H+](CCCC)[C@@H]2C)CC1 ZINC001088838331 801808667 /nfs/dbraw/zinc/80/86/67/801808667.db2.gz DCVJTQQSSLJIQC-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)[C@H]1C ZINC001089078658 801821640 /nfs/dbraw/zinc/82/16/40/801821640.db2.gz PYNYGARMGQQYLR-KGLIPLIRSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)C2CC2)CC(C)(C)C1 ZINC001089351975 801832427 /nfs/dbraw/zinc/83/24/27/801832427.db2.gz PJSZFRSNTUTHCC-GOEBONIOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(C)CC2)CC(C)(C)C1 ZINC001089396193 801836952 /nfs/dbraw/zinc/83/69/52/801836952.db2.gz YKPOLRGXVFFQRP-ZDUSSCGKSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC2(C)C)CC(C)(C)C1 ZINC001089464924 801839332 /nfs/dbraw/zinc/83/93/32/801839332.db2.gz MFGUWDGJZQRDPZ-GJZGRUSLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1=CCCC1 ZINC001089629699 801847399 /nfs/dbraw/zinc/84/73/99/801847399.db2.gz WCNSJQIWQGQEEO-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)c3ccccc3)C[C@]2(C)C1 ZINC001091443936 801858213 /nfs/dbraw/zinc/85/82/13/801858213.db2.gz ZFLYRXLGVAYALI-MJGOQNOKSA-N 1 1 298.430 3.047 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(C)CC=CCC1)C2 ZINC001095462240 801883370 /nfs/dbraw/zinc/88/33/70/801883370.db2.gz IKKCELNSNPPDKN-CVYDXHPNSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C3CC3)c1)C2 ZINC001096625839 801889973 /nfs/dbraw/zinc/88/99/73/801889973.db2.gz KVJMQYZOCUVNNJ-SQNIBIBYSA-N 1 1 296.414 3.085 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCC(C)(C)CC1)C2 ZINC001096626971 801891082 /nfs/dbraw/zinc/89/10/82/801891082.db2.gz PYEQNDILHYCQJO-PMPSAXMXSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C=C1CCCCC1)C2 ZINC001096859300 801894867 /nfs/dbraw/zinc/89/48/67/801894867.db2.gz MRJMIJABIRCSCD-ZACQAIPSSA-N 1 1 288.435 3.175 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CC)C2 ZINC001097742220 801903687 /nfs/dbraw/zinc/90/36/87/801903687.db2.gz PVGGXVJIAIAAPH-NXHRZFHOSA-N 1 1 298.430 3.160 20 30 CGEDMO C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)/C=C\C1CC1 ZINC001099007954 801923720 /nfs/dbraw/zinc/92/37/20/801923720.db2.gz KRIMSNDWAYATFL-XITLMJRVSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC1CC1 ZINC001098987389 801924052 /nfs/dbraw/zinc/92/40/52/801924052.db2.gz AUIQRVNPAYNYMS-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC1CCC1 ZINC001099000479 801924543 /nfs/dbraw/zinc/92/45/43/801924543.db2.gz JTTPTSQAKYDSSZ-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C=C1CCC1 ZINC001099012713 801926022 /nfs/dbraw/zinc/92/60/22/801926022.db2.gz NVDJCYSXMCTVSQ-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)=C1CCC1 ZINC001099060906 801927656 /nfs/dbraw/zinc/92/76/56/801927656.db2.gz PODAHCCHADWLBQ-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1(F)CCCC1 ZINC001099130268 801930097 /nfs/dbraw/zinc/93/00/97/801930097.db2.gz JRTUFHVLRKFRIX-CQSZACIVSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H](C)C(C)(C)C)C[C@]2(C)C1 ZINC001101445039 801979726 /nfs/dbraw/zinc/97/97/26/801979726.db2.gz YCIPYVYXMKIPGR-RKVPGOIHSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](CNC(=O)CC2CCCCC2)[C@H](C)C1 ZINC001101705978 801988734 /nfs/dbraw/zinc/98/87/34/801988734.db2.gz HGFCCKQSXJNHHK-NVXWUHKLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](CNC(=O)CCCC)[C@H](C)C1 ZINC001101735954 801989802 /nfs/dbraw/zinc/98/98/02/801989802.db2.gz GSQFSJBOFDVCHX-OWCLPIDISA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC)CCCC)[C@H](C)C1 ZINC001101755138 801989894 /nfs/dbraw/zinc/98/98/94/801989894.db2.gz LKFQMGZULXQARS-OWCLPIDISA-N 1 1 280.456 3.073 20 30 CGEDMO C#CCCCCC(=O)NC[C@@H]1C[N@@H+](CCCCC)C[C@H]1C ZINC001101894991 801996683 /nfs/dbraw/zinc/99/66/83/801996683.db2.gz XUXIDNLIDNGKCI-IAGOWNOFSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](CNC(=O)CCCC[C@H](C)CC)[C@H](C)C1 ZINC001102001317 801997566 /nfs/dbraw/zinc/99/75/66/801997566.db2.gz HNIOTWWSOTWUDG-BRWVUGGUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1C ZINC001102260809 802002256 /nfs/dbraw/zinc/00/22/56/802002256.db2.gz DVBRFBDFEYLJTK-BFYDXBDKSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)CCCC(C)C)[C@H](C)C1 ZINC001102397415 802007075 /nfs/dbraw/zinc/00/70/75/802007075.db2.gz GOHUVLXNJJZSLK-IAGOWNOFSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](CNC(=O)CC(CC)CC)[C@H](C)C1 ZINC001102484453 802008106 /nfs/dbraw/zinc/00/81/06/802008106.db2.gz JYRLSDOARXZVJO-GDBMZVCRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC)CCC)[C@H](C)C1 ZINC001102484953 802009889 /nfs/dbraw/zinc/00/98/89/802009889.db2.gz DCMHDNNJDUYNBL-IXDOHACOSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C(C)(C)C)[C@H](C)C1 ZINC001102526527 802010855 /nfs/dbraw/zinc/01/08/55/802010855.db2.gz FBZCSEYZFUCDLP-QLFBSQMISA-N 1 1 280.456 3.071 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)=C2CCCC2)C1 ZINC001102847133 802021386 /nfs/dbraw/zinc/02/13/86/802021386.db2.gz KNKWZFSMGBJVII-RHSMWYFYSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(F)=C2CCCC2)C1 ZINC001102858428 802023994 /nfs/dbraw/zinc/02/39/94/802023994.db2.gz HLBAFWNMKNCSKR-UKRRQHHQSA-N 1 1 294.414 3.044 20 30 CGEDMO C=CC(C)(C)CC(=O)NCC[C@@H]1C[N@H+](CCCF)C[C@H]1C ZINC001103033335 802026464 /nfs/dbraw/zinc/02/64/64/802026464.db2.gz HLFGPMKJPIFLDG-HUUCEWRRSA-N 1 1 298.446 3.023 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NCC[C@@H]1C[N@@H+](CC(=C)C)C[C@H]1C ZINC001103345021 802030930 /nfs/dbraw/zinc/03/09/30/802030930.db2.gz YEGWITWCKUPBKG-BRWVUGGUSA-N 1 1 292.467 3.239 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NCC[C@@H]1C[N@@H+](CCCF)C[C@H]1C ZINC001103344259 802031331 /nfs/dbraw/zinc/03/13/31/802031331.db2.gz HSMNZSVRAPGDMD-ARFHVFGLSA-N 1 1 298.446 3.023 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCC[C@@H]1C[N@@H+](CCCF)C[C@H]1C ZINC001103401607 802032444 /nfs/dbraw/zinc/03/24/44/802032444.db2.gz HWONMKSMSRZPNF-BFYDXBDKSA-N 1 1 298.446 3.023 20 30 CGEDMO C=CCCCC(=O)NCC[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C ZINC001103382611 802032591 /nfs/dbraw/zinc/03/25/91/802032591.db2.gz OMUDXYMZCUZKDI-NVXWUHKLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCCC(=O)NCC[C@@H]1C[N@@H+](CCCC)C[C@H]1C ZINC001103382820 802033268 /nfs/dbraw/zinc/03/32/68/802033268.db2.gz STAJKZYFENQOOB-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)CCC)C1 ZINC001103582052 802036771 /nfs/dbraw/zinc/03/67/71/802036771.db2.gz WFBXPMSZCVBOFW-IXDOHACOSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)CC(C)C)C1 ZINC001103632317 802037347 /nfs/dbraw/zinc/03/73/47/802037347.db2.gz BMPHFRDJFOLHFA-BRWVUGGUSA-N 1 1 294.483 3.319 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)CC)CCC[C@@H]12 ZINC001107285241 802083931 /nfs/dbraw/zinc/08/39/31/802083931.db2.gz PHRUPRSSKBDNPO-XNRPHZJLSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC=C(C)C)CC2 ZINC001107319908 802084898 /nfs/dbraw/zinc/08/48/98/802084898.db2.gz VINWZUCDZOCYSD-SJLPKXTDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)/C=C(\C)CC)CCC[C@@H]12 ZINC001107394008 802088112 /nfs/dbraw/zinc/08/81/12/802088112.db2.gz SUNREKITHGZTGZ-OBCDOCMJSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(CNC(=O)/C=C(/C)CC)CCC[C@@H]12 ZINC001107395607 802088445 /nfs/dbraw/zinc/08/84/45/802088445.db2.gz GSHGHCCTBULTQG-XRMNKTDYSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1C=CCC1)C2 ZINC001108907873 802104138 /nfs/dbraw/zinc/10/41/38/802104138.db2.gz PTSBOROMLIVDTP-YVSFHVDLSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC=CCC1)C2 ZINC001108919028 802104195 /nfs/dbraw/zinc/10/41/95/802104195.db2.gz NIWVAOAELZBVIW-YVSFHVDLSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCC1 ZINC001109055223 802108175 /nfs/dbraw/zinc/10/81/75/802108175.db2.gz TZVBJRILQZQDHF-IKGGRYGDSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CCCC)C2 ZINC001109229444 802112155 /nfs/dbraw/zinc/11/21/55/802112155.db2.gz UVDBTFGCPZBZPM-WCVJEAGWSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)=C1CCC1)C2 ZINC001109251892 802112294 /nfs/dbraw/zinc/11/22/94/802112294.db2.gz PBTHVHHMFSDJET-IKGGRYGDSA-N 1 1 288.435 3.175 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C/Cl ZINC001109343197 802114216 /nfs/dbraw/zinc/11/42/16/802114216.db2.gz NFUZNSKLZXXOJN-HWPNMJMYSA-N 1 1 296.842 3.063 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C/C=C/Cl ZINC001109343197 802114222 /nfs/dbraw/zinc/11/42/22/802114222.db2.gz NFUZNSKLZXXOJN-HWPNMJMYSA-N 1 1 296.842 3.063 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](C)CC ZINC001109342980 802115184 /nfs/dbraw/zinc/11/51/84/802115184.db2.gz DKVDDDUHVJDMJR-FZKCQIBNSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1 ZINC001109342993 802115311 /nfs/dbraw/zinc/11/53/11/802115311.db2.gz DZRCKHCAHVTPIF-PMPSAXMXSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1(C)CC1)C2 ZINC001109539763 802116268 /nfs/dbraw/zinc/11/62/68/802116268.db2.gz QUVDVXCPXKNPNN-FZKCQIBNSA-N 1 1 290.451 3.253 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](C)CC ZINC001109596198 802116424 /nfs/dbraw/zinc/11/64/24/802116424.db2.gz ISDZDPUENHWTIT-FZKCQIBNSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C=C)C2 ZINC001109601650 802118585 /nfs/dbraw/zinc/11/85/85/802118585.db2.gz JUNPIDOVMXQSFJ-FZKCQIBNSA-N 1 1 290.451 3.275 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1 ZINC001109679227 802122801 /nfs/dbraw/zinc/12/28/01/802122801.db2.gz UUDDYZBKBQBRGR-CVYDXHPNSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C/Cl ZINC001109678848 802122884 /nfs/dbraw/zinc/12/28/84/802122884.db2.gz JWNKAOKJVSQGND-GAOINCKFSA-N 1 1 296.842 3.063 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C/C=C/Cl ZINC001109678848 802122889 /nfs/dbraw/zinc/12/28/89/802122889.db2.gz JWNKAOKJVSQGND-GAOINCKFSA-N 1 1 296.842 3.063 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CC)CCCC1)C2 ZINC001109917542 802126538 /nfs/dbraw/zinc/12/65/38/802126538.db2.gz YVFZUUKMFKIYPF-PMPSAXMXSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)CCC)C2 ZINC001109891781 802126733 /nfs/dbraw/zinc/12/67/33/802126733.db2.gz TUALBMVQZNOMCS-FZKCQIBNSA-N 1 1 278.440 3.110 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](CC)C(C)C)C2 ZINC001110004746 802129881 /nfs/dbraw/zinc/12/98/81/802129881.db2.gz XTNUIWZRLJXODK-YVSFHVDLSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)C(C)C)C2 ZINC001110373561 802138410 /nfs/dbraw/zinc/13/84/10/802138410.db2.gz LVRQVMHWUHPCDG-HZMVEIRTSA-N 1 1 292.467 3.356 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)C(C)C)C2 ZINC001110381767 802139000 /nfs/dbraw/zinc/13/90/00/802139000.db2.gz VOHZXLRYTVTJDV-VQHPVUNQSA-N 1 1 292.467 3.356 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(C)C1 ZINC001110610941 802147550 /nfs/dbraw/zinc/14/75/50/802147550.db2.gz ZXXBUGOYGUUKGD-YWWDTZIBSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCF)C2 ZINC001110907992 802147974 /nfs/dbraw/zinc/14/79/74/802147974.db2.gz FVFDZVUXWMNWOL-OAGGEKHMSA-N 1 1 296.430 3.204 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](F)CC ZINC001111073730 802154315 /nfs/dbraw/zinc/15/43/15/802154315.db2.gz UKSZHHMHPZGKCJ-YJNKXOJESA-N 1 1 296.430 3.058 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](F)CC ZINC001111073730 802154318 /nfs/dbraw/zinc/15/43/18/802154318.db2.gz UKSZHHMHPZGKCJ-YJNKXOJESA-N 1 1 296.430 3.058 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)CC(C)C)C2 ZINC001111266768 802158955 /nfs/dbraw/zinc/15/89/55/802158955.db2.gz QHYIWDBXYWHYMT-HZMVEIRTSA-N 1 1 292.467 3.356 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(CC)CC)C2 ZINC001111432028 802159841 /nfs/dbraw/zinc/15/98/41/802159841.db2.gz WKOJTLPNSOKZMY-KFWWJZLASA-N 1 1 278.440 3.110 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC2CC2)C1 ZINC001111677178 802166251 /nfs/dbraw/zinc/16/62/51/802166251.db2.gz UYAMLRSCZLCBRS-WMZOPIPTSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)CC)C1 ZINC001111727983 802166899 /nfs/dbraw/zinc/16/68/99/802166899.db2.gz QOMXJDOPRNTERZ-INWMFGNUSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)CC)C1 ZINC001111727983 802166904 /nfs/dbraw/zinc/16/69/04/802166904.db2.gz QOMXJDOPRNTERZ-INWMFGNUSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2(C)CC2)C1 ZINC001111814077 802168744 /nfs/dbraw/zinc/16/87/44/802168744.db2.gz OQMHDCBQJYYHHX-YJBOKZPZSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC[C@H](C)F)C2 ZINC001111859013 802170013 /nfs/dbraw/zinc/17/00/13/802170013.db2.gz JUWVDVBGTJTVJJ-ZOBUZTSGSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)C(C)C)C1 ZINC001111889930 802170832 /nfs/dbraw/zinc/17/08/32/802170832.db2.gz JJRLOEMEAXVRJX-RYRKJORJSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](CC)CCCC ZINC001114593645 802242542 /nfs/dbraw/zinc/24/25/42/802242542.db2.gz ZKRGVUMWGMUTOS-LISAXSMJSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCCCC)C[C@H]21 ZINC001114729582 802244442 /nfs/dbraw/zinc/24/44/42/802244442.db2.gz UVVRPYUTHLXLBV-LISAXSMJSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCCC(C)C ZINC001114990256 802249341 /nfs/dbraw/zinc/24/93/41/802249341.db2.gz ZYSNPXAHHYISEF-FOLVSLTJSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCCC(C)C ZINC001114990256 802249348 /nfs/dbraw/zinc/24/93/48/802249348.db2.gz ZYSNPXAHHYISEF-FOLVSLTJSA-N 1 1 298.858 3.002 20 30 CGEDMO C#C[C@H]1CCCN(c2ccc([C@H]3CCCC[N@@H+]3CC)cn2)C1 ZINC001165135650 806971393 /nfs/dbraw/zinc/97/13/93/806971393.db2.gz GRSFVBINBQUXFM-FUHWJXTLSA-N 1 1 297.446 3.478 20 30 CGEDMO CCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCF)C[C@H]21 ZINC001115163201 802254499 /nfs/dbraw/zinc/25/44/99/802254499.db2.gz CUQWVQTVRGQZOE-QLPKVWCKSA-N 1 1 298.446 3.143 20 30 CGEDMO CCCCCCCC[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC)C[C@H]21 ZINC001115274935 802255749 /nfs/dbraw/zinc/25/57/49/802255749.db2.gz ZPLOPWQICNSOSW-MWDXBVQZSA-N 1 1 294.483 3.439 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cn2cc(-c3ccc(C)cc3)cn2)C1 ZINC001116539601 802373949 /nfs/dbraw/zinc/37/39/49/802373949.db2.gz ZIASXGMKXKRNPV-GOSISDBHSA-N 1 1 297.402 3.093 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2ccccc2OCC2CC2)C1 ZINC001116554726 802378027 /nfs/dbraw/zinc/37/80/27/802378027.db2.gz CJAPCIRXGCOTFQ-KRWDZBQOSA-N 1 1 287.403 3.252 20 30 CGEDMO C[C@@H](CCCC#N)[N@@H+](C)CCC(=O)c1ccccc1 ZINC001172502303 808357647 /nfs/dbraw/zinc/35/76/47/808357647.db2.gz UDHVQDSDWKOXTO-AWEZNQCLSA-N 1 1 258.365 3.274 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](C[C@H](O)c2cccc3ccccc32)C1 ZINC001117706992 802480359 /nfs/dbraw/zinc/48/03/59/802480359.db2.gz SZLDVQJEYVKUIR-LPHOPBHVSA-N 1 1 297.398 3.150 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)C1 ZINC001117706750 802480480 /nfs/dbraw/zinc/48/04/80/802480480.db2.gz NSFBTXJIIPYFAT-ILXRZTDVSA-N 1 1 294.402 3.435 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(C(C)=O)cc2)C1 ZINC001118557145 802582568 /nfs/dbraw/zinc/58/25/68/802582568.db2.gz CAZYIECZWUSJFB-HNNXBMFYSA-N 1 1 255.361 3.125 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC001119253004 802638862 /nfs/dbraw/zinc/63/88/62/802638862.db2.gz WLLYERFMAPNOGD-LLVKDONJSA-N 1 1 275.270 3.075 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC001119253004 802638867 /nfs/dbraw/zinc/63/88/67/802638867.db2.gz WLLYERFMAPNOGD-LLVKDONJSA-N 1 1 275.270 3.075 20 30 CGEDMO C#CC[N@H+](Cc1cc(=O)oc2cc(C)ccc12)C(C)(C)C ZINC001176287096 809661524 /nfs/dbraw/zinc/66/15/24/809661524.db2.gz BJWDDYXNQBOANJ-UHFFFAOYSA-N 1 1 283.371 3.335 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001120348247 802740486 /nfs/dbraw/zinc/74/04/86/802740486.db2.gz SBVLCOVMGWKMQC-IRXDYDNUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+]2CC2CC2)C1 ZINC001120348403 802740595 /nfs/dbraw/zinc/74/05/95/802740595.db2.gz VARYOZLRZZQMBV-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO N#Cc1ccc(CN[C@@H]2CCC[N@@H+](C3CCCC3)C2)cc1 ZINC001256897866 807001623 /nfs/dbraw/zinc/00/16/23/807001623.db2.gz VFSPHSCVXQVQBI-QGZVFWFLSA-N 1 1 283.419 3.055 20 30 CGEDMO N#Cc1ccc(CN[C@@H]2CCC[N@H+](C3CCCC3)C2)cc1 ZINC001256897866 807001632 /nfs/dbraw/zinc/00/16/32/807001632.db2.gz VFSPHSCVXQVQBI-QGZVFWFLSA-N 1 1 283.419 3.055 20 30 CGEDMO C=CCC[C@H]1CCCN1C(=O)Nc1cc(C)[nH+]c(C)c1 ZINC001123314375 802925735 /nfs/dbraw/zinc/92/57/35/802925735.db2.gz MPEZUVBOOKONCJ-HNNXBMFYSA-N 1 1 273.380 3.083 20 30 CGEDMO C=C(CC)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001123593179 802955415 /nfs/dbraw/zinc/95/54/15/802955415.db2.gz CKFFREYTRIHIRY-INIZCTEOSA-N 1 1 286.419 3.076 20 30 CGEDMO C=C[C@H](C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC001123923173 802982367 /nfs/dbraw/zinc/98/23/67/802982367.db2.gz AWMLCDSEESWGSA-BZSNNMDCSA-N 1 1 298.430 3.089 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](NC(=O)C2CC2)CC[C@@H]1C ZINC001131730528 803337880 /nfs/dbraw/zinc/33/78/80/803337880.db2.gz MQLNEZWGIZIYKK-HOCLYGCPSA-N 1 1 280.456 3.336 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H](NC(=O)C2CC2)CC[C@H]1C ZINC001131731023 803338499 /nfs/dbraw/zinc/33/84/99/803338499.db2.gz TVBLPTDLZNROJS-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)CC(C)(C)C)CC[C@H]1C ZINC001131839751 803350416 /nfs/dbraw/zinc/35/04/16/803350416.db2.gz UOIZHBPKPXFHBD-HUUCEWRRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)CSCCC)CC[C@@H]1C ZINC001131904702 803355436 /nfs/dbraw/zinc/35/54/36/803355436.db2.gz VMPNTZXMQSXUDB-LSDHHAIUSA-N 1 1 298.496 3.065 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)C=C(CC)CC)CC[C@H]1C ZINC001131989160 803364123 /nfs/dbraw/zinc/36/41/23/803364123.db2.gz UPUBAONNEDWLPH-GDBMZVCRSA-N 1 1 278.440 3.278 20 30 CGEDMO CC(C)C#CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCCC(C)C)C1 ZINC001132021880 803367151 /nfs/dbraw/zinc/36/71/51/803367151.db2.gz QZJMFSZIPWFBCN-SJORKVTESA-N 1 1 292.467 3.051 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)CC(C)(C)C2CC2)CC[C@@H]1C ZINC001132007341 803367750 /nfs/dbraw/zinc/36/77/50/803367750.db2.gz ZKXHGSFFTHLGEU-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)CC(C)(C)CC)CC[C@H]1C ZINC001132054915 803369578 /nfs/dbraw/zinc/36/95/78/803369578.db2.gz UWWYPKYHTWFKEA-HUUCEWRRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCC(C)C)C1 ZINC001132073587 803371337 /nfs/dbraw/zinc/37/13/37/803371337.db2.gz WVECSMWJRARRFL-HZPDHXFCSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)C(C)C)CC[C@@H]1C ZINC001132073010 803372225 /nfs/dbraw/zinc/37/22/25/803372225.db2.gz SSPMFTUDEBIHPL-GJZGRUSLSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](NC(=O)C2(CC(C)C)CC2)CC[C@@H]1C ZINC001132086148 803373235 /nfs/dbraw/zinc/37/32/35/803373235.db2.gz CVACZOSBWBZQIH-HOTGVXAUSA-N 1 1 292.467 3.358 20 30 CGEDMO CC#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCCCC)C1 ZINC001132223573 803381598 /nfs/dbraw/zinc/38/15/98/803381598.db2.gz FDAGEUMVYBKREP-IAGOWNOFSA-N 1 1 292.467 3.339 20 30 CGEDMO C=C/C(C)=C\CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=C)C)C1 ZINC001132223571 803381785 /nfs/dbraw/zinc/38/17/85/803381785.db2.gz FCUGIPHRSLPETH-USCQQBMNSA-N 1 1 276.424 3.054 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](CCCC=C)C1 ZINC001132256961 803388263 /nfs/dbraw/zinc/38/82/63/803388263.db2.gz RMBYJRQOJBEBRN-HOTGVXAUSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)CCCC(C)C)CC[C@@H]1C ZINC001132319053 803395471 /nfs/dbraw/zinc/39/54/71/803395471.db2.gz UBTFZBGFJJZMLY-HOTGVXAUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCC(C)(C)C)CC[C@H]1C ZINC001132370824 803397983 /nfs/dbraw/zinc/39/79/83/803397983.db2.gz BXABPZMLYVWTSM-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO Cc1c(C#N)cccc1-c1ccccc1C[NH+]1CCOCC1 ZINC001244815540 803534019 /nfs/dbraw/zinc/53/40/19/803534019.db2.gz QPLRKTFTQQFKRU-UHFFFAOYSA-N 1 1 292.382 3.366 20 30 CGEDMO C=C(CC(C)C)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001136404681 803642000 /nfs/dbraw/zinc/64/20/00/803642000.db2.gz DRNMJSAMOVRBHR-GASCZTMLSA-N 1 1 294.483 3.461 20 30 CGEDMO Cc1ccc2c(C[N@H+]3CC[C@H]4SC(=O)C=C4C3)c[nH]c2c1 ZINC001136969750 803665261 /nfs/dbraw/zinc/66/52/61/803665261.db2.gz AHVIBPRPIWHYLX-MRXNPFEDSA-N 1 1 298.411 3.250 20 30 CGEDMO Cc1ccc2c(C[N@@H+]3CCC4SC(=O)C=C4C3)c[nH]c2c1 ZINC001136969750 803665262 /nfs/dbraw/zinc/66/52/62/803665262.db2.gz AHVIBPRPIWHYLX-MRXNPFEDSA-N 1 1 298.411 3.250 20 30 CGEDMO Cc1ccc2c(C[N@H+]3CCC4SC(=O)C=C4C3)c[nH]c2c1 ZINC001136969750 803665264 /nfs/dbraw/zinc/66/52/64/803665264.db2.gz AHVIBPRPIWHYLX-MRXNPFEDSA-N 1 1 298.411 3.250 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2c[nH]c3cccc(F)c23)C1 ZINC001136985792 803667733 /nfs/dbraw/zinc/66/77/33/803667733.db2.gz VSTRPOSDYZTKLF-LBPRGKRZSA-N 1 1 256.324 3.152 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1ccccc1-n1cccn1 ZINC001137097781 803682922 /nfs/dbraw/zinc/68/29/22/803682922.db2.gz ATYXHMSJVLLHCW-UHFFFAOYSA-N 1 1 282.391 3.388 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1ccccc1-n1cccn1 ZINC001137097781 803682925 /nfs/dbraw/zinc/68/29/25/803682925.db2.gz ATYXHMSJVLLHCW-UHFFFAOYSA-N 1 1 282.391 3.388 20 30 CGEDMO C#CC1CC[NH+](Cc2ccc(F)c(Br)c2)CC1 ZINC001137559553 803741509 /nfs/dbraw/zinc/74/15/09/803741509.db2.gz YWXWQNRSMYYJOU-UHFFFAOYSA-N 1 1 296.183 3.433 20 30 CGEDMO COc1ccc(C[N@@H+]2CCC(F)(F)C(C)(C)C2)c(C#N)c1 ZINC001137699484 803761033 /nfs/dbraw/zinc/76/10/33/803761033.db2.gz JHUMWJIMOVZIIX-UHFFFAOYSA-N 1 1 294.345 3.434 20 30 CGEDMO COc1ccc(C[N@H+]2CCC(F)(F)C(C)(C)C2)c(C#N)c1 ZINC001137699484 803761039 /nfs/dbraw/zinc/76/10/39/803761039.db2.gz JHUMWJIMOVZIIX-UHFFFAOYSA-N 1 1 294.345 3.434 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1cccc(OC(C)=O)c1 ZINC001138042928 803837888 /nfs/dbraw/zinc/83/78/88/803837888.db2.gz HKHTWLPEWPCRCR-UHFFFAOYSA-N 1 1 274.364 3.128 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1cccc(OC(C)=O)c1 ZINC001138042928 803837897 /nfs/dbraw/zinc/83/78/97/803837897.db2.gz HKHTWLPEWPCRCR-UHFFFAOYSA-N 1 1 274.364 3.128 20 30 CGEDMO N#C[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138219781 803873704 /nfs/dbraw/zinc/87/37/04/803873704.db2.gz NRGOKWJZHVIXDE-MRXNPFEDSA-N 1 1 269.392 3.022 20 30 CGEDMO N#C[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138219781 803873712 /nfs/dbraw/zinc/87/37/12/803873712.db2.gz NRGOKWJZHVIXDE-MRXNPFEDSA-N 1 1 269.392 3.022 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cccc2nccnc12 ZINC001138307541 803892668 /nfs/dbraw/zinc/89/26/68/803892668.db2.gz AIWUMKFXEOHOAH-UHFFFAOYSA-N 1 1 255.365 3.418 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@H](CC)C2)cc1OC ZINC001138346437 803898684 /nfs/dbraw/zinc/89/86/84/803898684.db2.gz BZCHINWUGNPYFB-HNNXBMFYSA-N 1 1 287.403 3.329 20 30 CGEDMO C#CCOc1ccc(C[N@@H+](C)CCCCC=C)cc1OC ZINC001138347200 803899348 /nfs/dbraw/zinc/89/93/48/803899348.db2.gz UOYSQEDOEPZMIT-UHFFFAOYSA-N 1 1 287.403 3.495 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1ccc(-n2ccnc2C)cc1 ZINC001138547912 803963918 /nfs/dbraw/zinc/96/39/18/803963918.db2.gz WJJGRNKIQNPSNL-UHFFFAOYSA-N 1 1 282.391 3.306 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1ccc(-n2ccnc2C)cc1 ZINC001138547912 803963925 /nfs/dbraw/zinc/96/39/25/803963925.db2.gz WJJGRNKIQNPSNL-UHFFFAOYSA-N 1 1 282.391 3.306 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(-n3ccnc3C)cc2)C1 ZINC001138549263 803965449 /nfs/dbraw/zinc/96/54/49/803965449.db2.gz UEUKWAXNJLMKRI-MRXNPFEDSA-N 1 1 279.387 3.026 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCCCC23CC3)cc1 ZINC001138557871 803968102 /nfs/dbraw/zinc/96/81/02/803968102.db2.gz SVTUMYFHWNLWQK-UHFFFAOYSA-N 1 1 255.361 3.217 20 30 CGEDMO C#CCOc1ccc(C[N@@H+](C)CCOc2ccccc2)cc1 ZINC001138558707 803968820 /nfs/dbraw/zinc/96/88/20/803968820.db2.gz GJNWOVCUNRHNQQ-UHFFFAOYSA-N 1 1 295.382 3.209 20 30 CGEDMO C#CCOc1ccc(C[N@@H+](C)C[C@H]2CC2(C)C)cc1 ZINC001138557600 803969372 /nfs/dbraw/zinc/96/93/72/803969372.db2.gz MXTJMJPGBZUKGW-OAHLLOKOSA-N 1 1 257.377 3.177 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2c[nH]c3cc(OC)ccc23)C1 ZINC001138590574 803976324 /nfs/dbraw/zinc/97/63/24/803976324.db2.gz SKWKZDKUCVUTFW-ZDUSSCGKSA-N 1 1 268.360 3.022 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)c1O ZINC001138625259 803983884 /nfs/dbraw/zinc/98/38/84/803983884.db2.gz IWYIWHPCLQBMEH-SJORKVTESA-N 1 1 299.414 3.454 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CCc3occc3C2)c1O ZINC001138629862 803985461 /nfs/dbraw/zinc/98/54/61/803985461.db2.gz JNIDIXVDJAVCGO-UHFFFAOYSA-N 1 1 269.344 3.272 20 30 CGEDMO C=CCc1cccc(C[N@H+](CC)CCN2CCCC2)c1O ZINC001138628907 803986700 /nfs/dbraw/zinc/98/67/00/803986700.db2.gz JMAMZAIGBRYOHL-UHFFFAOYSA-N 1 1 288.435 3.038 20 30 CGEDMO C=CCc1cccc(C[N@@H+](CC)CCN2CCCC2)c1O ZINC001138628907 803986704 /nfs/dbraw/zinc/98/67/04/803986704.db2.gz JMAMZAIGBRYOHL-UHFFFAOYSA-N 1 1 288.435 3.038 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CC[C@](C)(O)[C@H](C)C1 ZINC001138662400 803997963 /nfs/dbraw/zinc/99/79/63/803997963.db2.gz WYTUGHJGKSDXHG-QAPCUYQASA-N 1 1 289.419 3.234 20 30 CGEDMO Fc1ncccc1C[NH+]1CCC(C#Cc2ccccc2)CC1 ZINC001138790914 804040122 /nfs/dbraw/zinc/04/01/22/804040122.db2.gz HXGDVGURJRQIBU-UHFFFAOYSA-N 1 1 294.373 3.484 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(OCC)cc2OCC)C1 ZINC001138979784 804097847 /nfs/dbraw/zinc/09/78/47/804097847.db2.gz LHQNROBNIIDPJB-OAHLLOKOSA-N 1 1 287.403 3.329 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@@](C)(O)[C@@H](C)C1 ZINC001139028752 804111495 /nfs/dbraw/zinc/11/14/95/804111495.db2.gz BBVKWLCOHDGUPQ-MAUKXSAKSA-N 1 1 289.419 3.234 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCCC(=O)[C@H](C)C1 ZINC001139027148 804112140 /nfs/dbraw/zinc/11/21/40/804112140.db2.gz MYTBMUDZCDMMQV-CQSZACIVSA-N 1 1 273.376 3.052 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCCC(=O)[C@H](C)C1 ZINC001139027148 804112142 /nfs/dbraw/zinc/11/21/42/804112142.db2.gz MYTBMUDZCDMMQV-CQSZACIVSA-N 1 1 273.376 3.052 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001139029010 804112615 /nfs/dbraw/zinc/11/26/15/804112615.db2.gz NBGOEFXAXZNTED-KGLIPLIRSA-N 1 1 279.330 3.338 20 30 CGEDMO CCn1ccc2c1cccc2C[N@H+](CC)CCC#N ZINC001139153157 804140508 /nfs/dbraw/zinc/14/05/08/804140508.db2.gz DTYACUYIWDCNTJ-UHFFFAOYSA-N 1 1 255.365 3.397 20 30 CGEDMO CCn1ccc2c1cccc2C[N@@H+](CC)CCC#N ZINC001139153157 804140512 /nfs/dbraw/zinc/14/05/12/804140512.db2.gz DTYACUYIWDCNTJ-UHFFFAOYSA-N 1 1 255.365 3.397 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2c[nH]c3cccc(C)c23)C1 ZINC001139196747 804157180 /nfs/dbraw/zinc/15/71/80/804157180.db2.gz TXHZRZJVFOFWBZ-CQSZACIVSA-N 1 1 252.361 3.322 20 30 CGEDMO CCCCCCC[N@@H+](C)Cc1cc(C(=O)OC)n(C)c1 ZINC001139372874 804184001 /nfs/dbraw/zinc/18/40/01/804184001.db2.gz LWJHEZDABLQYAN-UHFFFAOYSA-N 1 1 280.412 3.214 20 30 CGEDMO CCCCCCC[C@H](CC)[NH2+][C@@H]1CCNC[C@H]1OC ZINC001246218353 804213288 /nfs/dbraw/zinc/21/32/88/804213288.db2.gz PFJURHCYVBBYAA-ARFHVFGLSA-N 1 1 270.461 3.092 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](F)CC2)c1 ZINC001139646683 804240412 /nfs/dbraw/zinc/24/04/12/804240412.db2.gz DOGOZBXLRXGRFT-CYBMUJFWSA-N 1 1 250.292 3.021 20 30 CGEDMO CC(C)[N@@H+](C)[C@@H]1CCN(Cc2cccc(Cl)c2C#N)C1 ZINC001139694007 804256665 /nfs/dbraw/zinc/25/66/65/804256665.db2.gz YEXQQOBEKAERIU-CQSZACIVSA-N 1 1 291.826 3.126 20 30 CGEDMO N#Cc1cccc2c(C[N@@H+]3CCC[C@@H](F)CC3)c[nH]c21 ZINC001139701392 804258592 /nfs/dbraw/zinc/25/85/92/804258592.db2.gz GXWSWRWGFHYHPF-CQSZACIVSA-N 1 1 271.339 3.364 20 30 CGEDMO CC1(C)[C@@H]2C[N@H+](Cc3c[nH]c4c3cccc4C#N)C[C@@H]21 ZINC001139704757 804259938 /nfs/dbraw/zinc/25/99/38/804259938.db2.gz CVPCMGGZBONXRF-GASCZTMLSA-N 1 1 265.360 3.127 20 30 CGEDMO C=C1C[C@@H]2CC([NH2+]C[C@H](N)CC(C)C)C[C@H](C1)C2 ZINC001246312568 804274196 /nfs/dbraw/zinc/27/41/96/804274196.db2.gz SQNHRXUSRAWLBH-IUOOZAAYSA-N 1 1 250.430 3.084 20 30 CGEDMO C=CCn1cc(C[N@H+]2CCC[C@H](c3ccccc3)C2)cn1 ZINC001139770548 804278301 /nfs/dbraw/zinc/27/83/01/804278301.db2.gz RHDIAGHKJFVPDU-SFHVURJKSA-N 1 1 281.403 3.449 20 30 CGEDMO C#CC[N@@H+](Cc1cnn(CC=C)c1)[C@@H]1CCc2ccccc21 ZINC001139773090 804280894 /nfs/dbraw/zinc/28/08/94/804280894.db2.gz YTRIOSBAPOZEKS-LJQANCHMSA-N 1 1 291.398 3.192 20 30 CGEDMO C#CC[N@H+](Cc1cnn(CC=C)c1)[C@@H]1CCc2ccccc21 ZINC001139773090 804280899 /nfs/dbraw/zinc/28/08/99/804280899.db2.gz YTRIOSBAPOZEKS-LJQANCHMSA-N 1 1 291.398 3.192 20 30 CGEDMO COCc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)s1 ZINC001139827414 804293223 /nfs/dbraw/zinc/29/32/23/804293223.db2.gz WCVWMXMQZSWMCW-LBPRGKRZSA-N 1 1 264.394 3.020 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)[C@@H]1CCCC[C@@H]1CC ZINC001139869595 804303003 /nfs/dbraw/zinc/30/30/03/804303003.db2.gz MLKIGXNUILVQFR-JKSUJKDBSA-N 1 1 280.456 3.169 20 30 CGEDMO N#Cc1cc(F)cc(C[N@@H+]2CCC[C@H]2c2ccncc2)c1 ZINC001139875211 804304883 /nfs/dbraw/zinc/30/48/83/804304883.db2.gz VSEVQWVRRPFDTD-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1cc(F)cc(C[N@H+]2CCC[C@H]2c2ccncc2)c1 ZINC001139875211 804304892 /nfs/dbraw/zinc/30/48/92/804304892.db2.gz VSEVQWVRRPFDTD-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO C=CCC[C@@H](C)NC1(c2cccc(F)c2)CC[NH2+]CC1 ZINC001246436923 804331997 /nfs/dbraw/zinc/33/19/97/804331997.db2.gz KZWQSMQVNZYCLR-CQSZACIVSA-N 1 1 276.399 3.349 20 30 CGEDMO C=CCC[C@@H](C)[NH2+]C1(c2cccc(F)c2)CCNCC1 ZINC001246436923 804332006 /nfs/dbraw/zinc/33/20/06/804332006.db2.gz KZWQSMQVNZYCLR-CQSZACIVSA-N 1 1 276.399 3.349 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001246459809 804340233 /nfs/dbraw/zinc/34/02/33/804340233.db2.gz GSIAGVICKLARJM-HNAYVOBHSA-N 1 1 297.446 3.001 20 30 CGEDMO C[N@@H+](Cc1c[nH]c2ccc(C#N)cc12)Cc1cccnc1 ZINC001140112112 804381586 /nfs/dbraw/zinc/38/15/86/804381586.db2.gz RPIGPTGDIMILSF-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(O)cc1F ZINC001140126883 804382803 /nfs/dbraw/zinc/38/28/03/804382803.db2.gz LKQZBDFRDDWEGV-UHFFFAOYSA-N 1 1 270.307 3.035 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(O)cc1F ZINC001140126883 804382810 /nfs/dbraw/zinc/38/28/10/804382810.db2.gz LKQZBDFRDDWEGV-UHFFFAOYSA-N 1 1 270.307 3.035 20 30 CGEDMO N#C[C@H]1CC[N@H+](Cc2ccc(-c3ccncc3)cc2)C1 ZINC001140171311 804392804 /nfs/dbraw/zinc/39/28/04/804392804.db2.gz LQROAGHWLFVJQR-OAHLLOKOSA-N 1 1 263.344 3.094 20 30 CGEDMO N#C[C@H]1CC[N@@H+](Cc2ccc(-c3ccncc3)cc2)C1 ZINC001140171311 804392811 /nfs/dbraw/zinc/39/28/11/804392811.db2.gz LQROAGHWLFVJQR-OAHLLOKOSA-N 1 1 263.344 3.094 20 30 CGEDMO N#Cc1cccc(C2CC[NH+](Cc3ccncc3O)CC2)c1 ZINC001140278588 804407109 /nfs/dbraw/zinc/40/71/09/804407109.db2.gz UGFPEUJQPHOAKZ-UHFFFAOYSA-N 1 1 293.370 3.038 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccccc1-c1cnc(N)nc1 ZINC001140325448 804412390 /nfs/dbraw/zinc/41/23/90/804412390.db2.gz MXLRJZBDXXBUTN-UHFFFAOYSA-N 1 1 282.391 3.124 20 30 CGEDMO N#Cc1ccc(Nc2ccc[nH+]c2N)c(OC(F)(F)F)c1 ZINC001212400254 815018386 /nfs/dbraw/zinc/01/83/86/815018386.db2.gz UHQNXNWFNVRAAI-UHFFFAOYSA-N 1 1 294.236 3.178 20 30 CGEDMO CCCCCCC[C@H](CCC)[NH+]1CC2(C1)CNCCO2 ZINC001246617612 804452336 /nfs/dbraw/zinc/45/23/36/804452336.db2.gz CTTLBBKRTMVNJM-INIZCTEOSA-N 1 1 282.472 3.190 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC001140538530 804455326 /nfs/dbraw/zinc/45/53/26/804455326.db2.gz DPSKCKAKYNHSGC-NSHDSACASA-N 1 1 251.732 3.324 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC001140538530 804455329 /nfs/dbraw/zinc/45/53/29/804455329.db2.gz DPSKCKAKYNHSGC-NSHDSACASA-N 1 1 251.732 3.324 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3cccc4ccncc43)CC[C@@H]2S1 ZINC001140641252 804481552 /nfs/dbraw/zinc/48/15/52/804481552.db2.gz FCHDVXKGRHVNGJ-INIZCTEOSA-N 1 1 296.395 3.009 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3cccc4ccncc43)CCC2S1 ZINC001140641252 804481560 /nfs/dbraw/zinc/48/15/60/804481560.db2.gz FCHDVXKGRHVNGJ-INIZCTEOSA-N 1 1 296.395 3.009 20 30 CGEDMO N#Cc1c(F)c(Cl)ccc1Nc1ccc[nH+]c1N ZINC001212408854 815021694 /nfs/dbraw/zinc/02/16/94/815021694.db2.gz PHUZLVVGYMYIFN-UHFFFAOYSA-N 1 1 262.675 3.072 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2c(Cl)cccc2OC)C1 ZINC001140728698 804500022 /nfs/dbraw/zinc/50/00/22/804500022.db2.gz MHEWMZGKURERAV-LBPRGKRZSA-N 1 1 263.768 3.194 20 30 CGEDMO CCCCC[N@@H+](C)Cc1cc(F)c(C#N)c(F)c1 ZINC001140751089 804504722 /nfs/dbraw/zinc/50/47/22/804504722.db2.gz ITMJNSZDKWOODJ-UHFFFAOYSA-N 1 1 252.308 3.458 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140756735 804506581 /nfs/dbraw/zinc/50/65/81/804506581.db2.gz PYDCFLFRCOXHOF-UHFFFAOYSA-N 1 1 297.308 3.340 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140756735 804506587 /nfs/dbraw/zinc/50/65/87/804506587.db2.gz PYDCFLFRCOXHOF-UHFFFAOYSA-N 1 1 297.308 3.340 20 30 CGEDMO N#CC[C@H]1CCCN([C@@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256919351 807012281 /nfs/dbraw/zinc/01/22/81/807012281.db2.gz CWURJRMSSAXXHQ-NVXWUHKLSA-N 1 1 275.440 3.019 20 30 CGEDMO CN(Cc1ccc(C#N)cc1)[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256918677 807012480 /nfs/dbraw/zinc/01/24/80/807012480.db2.gz RHTSEMPZSWCQFQ-LJQANCHMSA-N 1 1 297.446 3.397 20 30 CGEDMO CC[C@H]1C[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)CCN1 ZINC001246802077 804523157 /nfs/dbraw/zinc/52/31/57/804523157.db2.gz JCPAEGDKNQULGQ-XBMUEBEBSA-N 1 1 297.446 3.268 20 30 CGEDMO CC[C@H]1CN(C2CCC(c3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC001246802077 804523163 /nfs/dbraw/zinc/52/31/63/804523163.db2.gz JCPAEGDKNQULGQ-XBMUEBEBSA-N 1 1 297.446 3.268 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)c1Cl ZINC001140808626 804525549 /nfs/dbraw/zinc/52/55/49/804525549.db2.gz XIUFIFGGIBZRAY-SWLSCSKDSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)c1Cl ZINC001140808626 804525553 /nfs/dbraw/zinc/52/55/53/804525553.db2.gz XIUFIFGGIBZRAY-SWLSCSKDSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c1Cl ZINC001140808257 804525808 /nfs/dbraw/zinc/52/58/08/804525808.db2.gz NPCJVXGBEBPPRO-ZFWWWQNUSA-N 1 1 290.794 3.213 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140923976 804550694 /nfs/dbraw/zinc/55/06/94/804550694.db2.gz AAHZPJORNNSIOH-ZDUSSCGKSA-N 1 1 276.811 3.251 20 30 CGEDMO N#CC1CCC([N@H+]2CCC[C@@H](Oc3cccnc3)C2)CC1 ZINC001256968362 807018247 /nfs/dbraw/zinc/01/82/47/807018247.db2.gz DGYNXCJIJDKDSB-VMBOVVBDSA-N 1 1 285.391 3.007 20 30 CGEDMO CN1CCOc2cc(C[N@@H+](CCC#N)C3CCCC3)ccc21 ZINC001141143250 804596549 /nfs/dbraw/zinc/59/65/49/804596549.db2.gz QZUPTHHRHBAKTF-UHFFFAOYSA-N 1 1 299.418 3.173 20 30 CGEDMO C[C@@]1(F)CCC[N@H+](Cc2ccc(F)cc2C#N)CC1 ZINC001141164302 804601335 /nfs/dbraw/zinc/60/13/35/804601335.db2.gz WBIHAJWNYCHISM-OAHLLOKOSA-N 1 1 264.319 3.411 20 30 CGEDMO C[C@@]1(F)CCC[N@@H+](Cc2ccc(F)cc2C#N)CC1 ZINC001141164302 804601338 /nfs/dbraw/zinc/60/13/38/804601338.db2.gz WBIHAJWNYCHISM-OAHLLOKOSA-N 1 1 264.319 3.411 20 30 CGEDMO C=CC[N@@H+](C1CCCCC1)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001246944250 804612419 /nfs/dbraw/zinc/61/24/19/804612419.db2.gz BMZMAGCUYSOMCZ-OAHLLOKOSA-N 1 1 250.430 3.338 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+](C1CCC1)[C@H]1CCCNC1 ZINC001246987691 804630511 /nfs/dbraw/zinc/63/05/11/804630511.db2.gz OAZUGKWNQNXKRZ-KXBFYZLASA-N 1 1 297.446 3.096 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C1CCC1)[C@H]1CCCNC1 ZINC001246987691 804630515 /nfs/dbraw/zinc/63/05/15/804630515.db2.gz OAZUGKWNQNXKRZ-KXBFYZLASA-N 1 1 297.446 3.096 20 30 CGEDMO CCCCCCCCNC(=S)NC[C@@H]1CCC[N@H+]1CC ZINC001247128988 804667142 /nfs/dbraw/zinc/66/71/42/804667142.db2.gz XFQBJGIWNCCYDV-HNNXBMFYSA-N 1 1 299.528 3.295 20 30 CGEDMO CCCCCCCC[N@@H+](C)Cc1cnc(C(=O)OC)cn1 ZINC001141828208 804671444 /nfs/dbraw/zinc/67/14/44/804671444.db2.gz MWMQIGYCKMOABJ-UHFFFAOYSA-N 1 1 293.411 3.056 20 30 CGEDMO CCCCCCCCNC(=S)NC[C@H]1CCC[N@@H+](C)C1 ZINC001247167147 804672621 /nfs/dbraw/zinc/67/26/21/804672621.db2.gz WKJUFLWEERIRBW-OAHLLOKOSA-N 1 1 299.528 3.153 20 30 CGEDMO CSc1nc(C[N@@H+]2[C@H](C)CCC[C@@H]2C)ccc1C#N ZINC001141929099 804680706 /nfs/dbraw/zinc/68/07/06/804680706.db2.gz LTDWUKFZCIEYMQ-TXEJJXNPSA-N 1 1 275.421 3.438 20 30 CGEDMO CSc1nc(C[N@H+]2CCCC3(CCC3)C2)ccc1C#N ZINC001141945951 804681846 /nfs/dbraw/zinc/68/18/46/804681846.db2.gz SNOXMKNBOUNFRI-UHFFFAOYSA-N 1 1 287.432 3.441 20 30 CGEDMO C[C@]1(F)CC[N@H+](Cc2c[nH]c3cc(C#N)ccc23)C[C@H]1F ZINC001142911606 804781458 /nfs/dbraw/zinc/78/14/58/804781458.db2.gz BIHZYYITPAFLDL-CVEARBPZSA-N 1 1 289.329 3.312 20 30 CGEDMO C[C@]1(F)CC[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)C[C@H]1F ZINC001142911606 804781462 /nfs/dbraw/zinc/78/14/62/804781462.db2.gz BIHZYYITPAFLDL-CVEARBPZSA-N 1 1 289.329 3.312 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH3+])c1nc(-c2ccc(OCCCC)cc2)no1 ZINC001247620927 804781837 /nfs/dbraw/zinc/78/18/37/804781837.db2.gz BAZHAKRZWIZRKB-CXAGYDPISA-N 1 1 299.374 3.275 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2ccc3ccn(C)c3c2)no1 ZINC001247622315 804782809 /nfs/dbraw/zinc/78/28/09/804782809.db2.gz JAQVJKFSJLMSTL-ZDUSSCGKSA-N 1 1 282.347 3.194 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2ccc3scnc3c2)no1 ZINC001247622311 804782901 /nfs/dbraw/zinc/78/29/01/804782901.db2.gz IYMUZFSZAUDZOR-JTQLQIEISA-N 1 1 286.360 3.312 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2cc(F)cc(Cl)c2)no1 ZINC001247622223 804783620 /nfs/dbraw/zinc/78/36/20/804783620.db2.gz IVMYEIUSKMOVTD-NSHDSACASA-N 1 1 281.718 3.495 20 30 CGEDMO Cc1ncccc1C[N@@H+](C)Cc1c[nH]c2cc(C#N)ccc12 ZINC001142926282 804784704 /nfs/dbraw/zinc/78/47/04/804784704.db2.gz NUZHALSDGCGVSG-UHFFFAOYSA-N 1 1 290.370 3.375 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)C1 ZINC001142921202 804785226 /nfs/dbraw/zinc/78/52/26/804785226.db2.gz JOONWFIMFQSVKO-CYBMUJFWSA-N 1 1 278.359 3.165 20 30 CGEDMO C[C@]1(C#N)CC[N@H+]([C@H]2CCO[C@@H](c3ccccc3)C2)C1 ZINC001256828162 806988547 /nfs/dbraw/zinc/98/85/47/806988547.db2.gz FRVCXJDRSVOYQK-GVDBMIGSSA-N 1 1 270.376 3.142 20 30 CGEDMO C[C@]1(C#N)CC[N@H+]([C@@H]2CCO[C@@H](c3ccccc3)C2)C1 ZINC001256828159 806988619 /nfs/dbraw/zinc/98/86/19/806988619.db2.gz FRVCXJDRSVOYQK-BRWVUGGUSA-N 1 1 270.376 3.142 20 30 CGEDMO CCCC[C@@H]([NH3+])c1nc(-c2ccc(C#N)c(C)c2)no1 ZINC001247694973 804797114 /nfs/dbraw/zinc/79/71/14/804797114.db2.gz GWOIZMODLMTFSV-CYBMUJFWSA-N 1 1 270.336 3.107 20 30 CGEDMO C[N@H+]1CCC[C@H](CCNc2ccc(C#N)c3[nH]ccc32)C1 ZINC001165290689 806988937 /nfs/dbraw/zinc/98/89/37/806988937.db2.gz WWOIXMOHCWTSQA-CYBMUJFWSA-N 1 1 282.391 3.183 20 30 CGEDMO C[C@@H]1CC[N@H+](Cc2c(F)ccc(C#N)c2F)[C@H](C)C1 ZINC001143172685 804813848 /nfs/dbraw/zinc/81/38/48/804813848.db2.gz BPECVTSMCBDPPQ-GHMZBOCLSA-N 1 1 264.319 3.457 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2c(F)ccc(C#N)c2F)[C@H](C)C1 ZINC001143172685 804813855 /nfs/dbraw/zinc/81/38/55/804813855.db2.gz BPECVTSMCBDPPQ-GHMZBOCLSA-N 1 1 264.319 3.457 20 30 CGEDMO C[N@@H+](Cc1c(F)ccc(C#N)c1F)C[C@H]1CC1(C)C ZINC001143174512 804817156 /nfs/dbraw/zinc/81/71/56/804817156.db2.gz RXADCBAWFSIVHT-LLVKDONJSA-N 1 1 264.319 3.314 20 30 CGEDMO C[N@H+](Cc1c(F)ccc(C#N)c1F)C[C@H]1CC1(C)C ZINC001143174512 804817165 /nfs/dbraw/zinc/81/71/65/804817165.db2.gz RXADCBAWFSIVHT-LLVKDONJSA-N 1 1 264.319 3.314 20 30 CGEDMO C#CC[N@H+](C)Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC001143991826 804919835 /nfs/dbraw/zinc/91/98/35/804919835.db2.gz RSJHEBNACREUIO-UHFFFAOYSA-N 1 1 261.674 3.424 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001144061582 804932099 /nfs/dbraw/zinc/93/20/99/804932099.db2.gz NIBAZPMWZPVERF-MRXNPFEDSA-N 1 1 286.419 3.104 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC001144061582 804932101 /nfs/dbraw/zinc/93/21/01/804932101.db2.gz NIBAZPMWZPVERF-MRXNPFEDSA-N 1 1 286.419 3.104 20 30 CGEDMO C=CCC(C)(C)C(=O)N(C)CC[N@@H+](C)Cc1ccccc1 ZINC001144069477 804933116 /nfs/dbraw/zinc/93/31/16/804933116.db2.gz ZSWCKALDMSDHGS-UHFFFAOYSA-N 1 1 288.435 3.179 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001248748366 804982999 /nfs/dbraw/zinc/98/29/99/804982999.db2.gz HKGONWSMJSLDPZ-AEFFLSMTSA-N 1 1 284.403 3.122 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCC[C@@](C)(CO)CC1 ZINC001248748361 804983145 /nfs/dbraw/zinc/98/31/45/804983145.db2.gz HIMYOTKPORAGSI-GOSISDBHSA-N 1 1 286.419 3.105 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC001248752018 804983798 /nfs/dbraw/zinc/98/37/98/804983798.db2.gz TYDJROQHDMOOKD-HNNXBMFYSA-N 1 1 276.330 3.352 20 30 CGEDMO Cc1cc(C[N@H+]2CCc3cc(C#N)ccc3C2)cs1 ZINC001248801210 804995789 /nfs/dbraw/zinc/99/57/89/804995789.db2.gz FXCVXCBZWBVOTH-UHFFFAOYSA-N 1 1 268.385 3.487 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CC[C@@H](OCc3ccccc3)C2)cc1 ZINC001144573632 805008650 /nfs/dbraw/zinc/00/86/50/805008650.db2.gz NSRHEVQXEJTKJJ-HXUWFJFHSA-N 1 1 291.394 3.459 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCN(C)[C@@H](c3ccccc3)C2)cc1 ZINC001144574014 805009285 /nfs/dbraw/zinc/00/92/85/805009285.db2.gz YBSABNXXLHHJJG-HXUWFJFHSA-N 1 1 290.410 3.157 20 30 CGEDMO C#Cc1ccc(CN2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC001144574014 805009295 /nfs/dbraw/zinc/00/92/95/805009295.db2.gz YBSABNXXLHHJJG-HXUWFJFHSA-N 1 1 290.410 3.157 20 30 CGEDMO C#Cc1ccc(CN2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC001144574014 805009305 /nfs/dbraw/zinc/00/93/05/805009305.db2.gz YBSABNXXLHHJJG-HXUWFJFHSA-N 1 1 290.410 3.157 20 30 CGEDMO CCCCCCC[N@@H+](C)Cc1ccc2c(c1)nnn2C ZINC001144637028 805019104 /nfs/dbraw/zinc/01/91/04/805019104.db2.gz CYDMRCZNQOLGFV-UHFFFAOYSA-N 1 1 274.412 3.371 20 30 CGEDMO CCC[N@@H+](Cc1cnn2ccc(C#N)cc12)[C@@H](C)CC ZINC001249082502 805084589 /nfs/dbraw/zinc/08/45/89/805084589.db2.gz VVFBQVQOHCDEHJ-ZDUSSCGKSA-N 1 1 270.380 3.216 20 30 CGEDMO CCCCCCC[N@H+]1CCC2(CN(C(=O)C(C)(C)F)C2)C1 ZINC001146875871 805095439 /nfs/dbraw/zinc/09/54/39/805095439.db2.gz KLKISAOHXDUMJK-UHFFFAOYSA-N 1 1 298.446 3.239 20 30 CGEDMO CC[C@H](C)c1nn(C)cc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001249407929 805141102 /nfs/dbraw/zinc/14/11/02/805141102.db2.gz SLHXKNFUODSMMU-UONOGXRCSA-N 1 1 274.412 3.059 20 30 CGEDMO CC[C@@H](C)c1nn(C)cc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC001249409543 805143362 /nfs/dbraw/zinc/14/33/62/805143362.db2.gz COUZHDXMCPBGIK-CQSZACIVSA-N 1 1 296.418 3.437 20 30 CGEDMO CC[C@@H](C)c1nn(C)cc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC001249409543 805143366 /nfs/dbraw/zinc/14/33/66/805143366.db2.gz COUZHDXMCPBGIK-CQSZACIVSA-N 1 1 296.418 3.437 20 30 CGEDMO N#Cc1ccc2cc(C[N@H+]3C[C@H]4[C@H](CC4(F)F)C3)[nH]c2c1 ZINC001249426948 805146353 /nfs/dbraw/zinc/14/63/53/805146353.db2.gz LWQWWJQQIPDUCS-OCCSQVGLSA-N 1 1 287.313 3.127 20 30 CGEDMO C[C@H]1CCCC[N@H+]1Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249426568 805146884 /nfs/dbraw/zinc/14/68/84/805146884.db2.gz XOJQCDACFCWAMZ-LBPRGKRZSA-N 1 1 253.349 3.414 20 30 CGEDMO COc1cc(OC)c(C[NH+]2CC(CC#N)C2)c2ccccc12 ZINC001249443242 805152149 /nfs/dbraw/zinc/15/21/49/805152149.db2.gz VFADBOLEOHLDNI-UHFFFAOYSA-N 1 1 296.370 3.202 20 30 CGEDMO C=C(C)C[N@@H+]1CCC2(CN(C(=O)C3(CCC)CCC3)C2)C1 ZINC001148137745 805164222 /nfs/dbraw/zinc/16/42/22/805164222.db2.gz AVXSZCWNWYEXIC-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO COc1cc(Nc2cc[nH+]cc2C(F)(F)F)ccc1C#N ZINC001249593637 805185605 /nfs/dbraw/zinc/18/56/05/805185605.db2.gz RWXBHYNKCZWVFC-UHFFFAOYSA-N 1 1 293.248 3.146 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(CN(C(=O)CC(CC)CC)C2)C1 ZINC001148492580 805188190 /nfs/dbraw/zinc/18/81/90/805188190.db2.gz MRRLDXQMCUJPRH-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1CCC2(CN(C(=O)[C@H](CC)CCCCC)C2)C1 ZINC001148803952 805211697 /nfs/dbraw/zinc/21/16/97/805211697.db2.gz MCSVXBZSKQYFQK-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cnc(Br)c(OC)c1 ZINC001249839227 805257939 /nfs/dbraw/zinc/25/79/39/805257939.db2.gz ZCTSXIZZSUNRJT-UHFFFAOYSA-N 1 1 297.196 3.027 20 30 CGEDMO Cc1cc(Nc2cccnc2C#C[Si](C)(C)C)c[nH+]c1N ZINC001249781866 805244470 /nfs/dbraw/zinc/24/44/70/805244470.db2.gz LROWZEBONPUUEX-UHFFFAOYSA-N 1 1 296.450 3.340 20 30 CGEDMO Cc1cc(Nc2ccc3nc(C#N)sc3c2)c[nH+]c1N ZINC001249788733 805247278 /nfs/dbraw/zinc/24/72/78/805247278.db2.gz OHABYXQGTQNLIX-UHFFFAOYSA-N 1 1 281.344 3.197 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)Cc1ccsc1 ZINC001151698285 805308335 /nfs/dbraw/zinc/30/83/35/805308335.db2.gz DYYOIMONMVOUHQ-CQSZACIVSA-N 1 1 294.464 3.083 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)c1cccc(C)c1 ZINC001151706938 805310065 /nfs/dbraw/zinc/31/00/65/805310065.db2.gz SAQLQMRMFTVGKL-CQSZACIVSA-N 1 1 294.826 3.188 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)c1cccc(C)c1 ZINC001151706938 805310073 /nfs/dbraw/zinc/31/00/73/805310073.db2.gz SAQLQMRMFTVGKL-CQSZACIVSA-N 1 1 294.826 3.188 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H]1C=CCC1 ZINC001151807038 805314117 /nfs/dbraw/zinc/31/41/17/805314117.db2.gz UGQDXNUJXKAILS-HZPDHXFCSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)CCc1ccco1 ZINC001151829248 805314927 /nfs/dbraw/zinc/31/49/27/805314927.db2.gz FRECDWZVTWVIOM-OAHLLOKOSA-N 1 1 292.423 3.005 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)c1cc(C)oc1C ZINC001151847328 805317087 /nfs/dbraw/zinc/31/70/87/805317087.db2.gz ZZRQCJIWPOLGSA-LLVKDONJSA-N 1 1 298.814 3.089 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)c1cc(C)oc1C ZINC001151847328 805317097 /nfs/dbraw/zinc/31/70/97/805317097.db2.gz ZZRQCJIWPOLGSA-LLVKDONJSA-N 1 1 298.814 3.089 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C(C)=C1CCCC1 ZINC001152695118 805362579 /nfs/dbraw/zinc/36/25/79/805362579.db2.gz USKCADUUZXIQGQ-CYBMUJFWSA-N 1 1 298.858 3.456 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C(C)=C1CCCC1 ZINC001152695118 805362588 /nfs/dbraw/zinc/36/25/88/805362588.db2.gz USKCADUUZXIQGQ-CYBMUJFWSA-N 1 1 298.858 3.456 20 30 CGEDMO C=CCC(CC=C)C(=O)NC[C@@H](C)[N@@H+](CC)C/C=C/Cl ZINC001153561305 805402892 /nfs/dbraw/zinc/40/28/92/805402892.db2.gz KIISYOOOLVDHFU-BMGYJQCNSA-N 1 1 298.858 3.334 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H](C)[N@H+](CC)C[C@H](C)CC ZINC001153608134 805405507 /nfs/dbraw/zinc/40/55/07/805405507.db2.gz AAXNZRNJNGROER-HUUCEWRRSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC=CCCC1 ZINC001153990740 805424389 /nfs/dbraw/zinc/42/43/89/805424389.db2.gz QKNGWQBPYWDYLV-CVEARBPZSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@](C)(F)CCCC ZINC001154075053 805430986 /nfs/dbraw/zinc/43/09/86/805430986.db2.gz WKZQYWHEUCIZFY-GDBMZVCRSA-N 1 1 286.435 3.308 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)CC[C@H](C)F ZINC001154584670 805464651 /nfs/dbraw/zinc/46/46/51/805464651.db2.gz SFTQUAMTIXIKKD-UONOGXRCSA-N 1 1 286.435 3.163 20 30 CGEDMO C#CCCCCCC(=O)NC[C@@H](C)[N@H+](CC)C[C@H](F)CC ZINC001154609738 805468030 /nfs/dbraw/zinc/46/80/30/805468030.db2.gz WRLUYNHIMOKDDU-HZPDHXFCSA-N 1 1 298.446 3.145 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC1(C)C ZINC001154736623 805481127 /nfs/dbraw/zinc/48/11/27/805481127.db2.gz NPAHSOZBZSCAGS-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)CC=C(C)C ZINC001154742766 805481758 /nfs/dbraw/zinc/48/17/58/805481758.db2.gz MQNKGXDNJFQFDW-HZPDHXFCSA-N 1 1 280.456 3.382 20 30 CGEDMO CC#CCCCC(=O)NC[C@@H](C)[N@@H+](CC)CCCCCF ZINC001154746818 805483543 /nfs/dbraw/zinc/48/35/43/805483543.db2.gz AEZJMQRIZBIDKD-MRXNPFEDSA-N 1 1 298.446 3.146 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)C(C1CCC1)C1CCC1 ZINC001154869584 805500259 /nfs/dbraw/zinc/50/02/59/805500259.db2.gz CEHNEKPPNSLKMM-CQSZACIVSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1ccoc1C1CC1 ZINC001154865102 805500926 /nfs/dbraw/zinc/50/09/26/805500926.db2.gz LGGWRXKNUVEAQS-CYBMUJFWSA-N 1 1 290.407 3.173 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H](C)[N@@H+](CC)C/C=C/Cl ZINC001155072590 805535460 /nfs/dbraw/zinc/53/54/60/805535460.db2.gz FZBHEYZAVYXFNL-CUTVHNCCSA-N 1 1 286.847 3.168 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H](C)[N@@H+](CC)CC1CCC1 ZINC001155073174 805535552 /nfs/dbraw/zinc/53/55/52/805535552.db2.gz RWPBPWSWTWCUCO-PBHICJAKSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1cc2occc2s1 ZINC001155210012 805558004 /nfs/dbraw/zinc/55/80/04/805558004.db2.gz GMBZBINVGUYHHU-LLVKDONJSA-N 1 1 292.404 3.121 20 30 CGEDMO Cc1ccc(C)c(Nc2ccc(OCC#N)cc2)[nH+]1 ZINC001212606008 815083779 /nfs/dbraw/zinc/08/37/79/815083779.db2.gz HGQIMGZDRGNHRS-UHFFFAOYSA-N 1 1 253.305 3.344 20 30 CGEDMO CN(C)[C@H]1CC[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257016285 807027201 /nfs/dbraw/zinc/02/72/01/807027201.db2.gz ZFLTVODGLADUGJ-ACBHZAAOSA-N 1 1 297.446 3.220 20 30 CGEDMO C=CCOCc1nn(C)c2c1C[N@@H+]([C@H](CC)CCC)CC2 ZINC001257261420 807077747 /nfs/dbraw/zinc/07/77/47/807077747.db2.gz VFRCDFVIMKJSGT-CQSZACIVSA-N 1 1 291.439 3.060 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H](C)CCC)CC2 ZINC001257322145 807107461 /nfs/dbraw/zinc/10/74/61/807107461.db2.gz QJJCLXLOROIUEY-WBVHZDCISA-N 1 1 278.440 3.208 20 30 CGEDMO CCCC(CCC)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001257338117 807113552 /nfs/dbraw/zinc/11/35/52/807113552.db2.gz ROOSQRJUZILTJQ-CYBMUJFWSA-N 1 1 253.411 3.229 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)CCC(=O)OCCCC ZINC001257397826 807137622 /nfs/dbraw/zinc/13/76/22/807137622.db2.gz BOFWYSRCOQVDNW-AWEZNQCLSA-N 1 1 255.402 3.396 20 30 CGEDMO CCCC[C@@H](CC)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001257418467 807146156 /nfs/dbraw/zinc/14/61/56/807146156.db2.gz DKMIPSBJGNMVDG-OLZOCXBDSA-N 1 1 253.411 3.229 20 30 CGEDMO CC[C@@H](C)[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001257447967 807162552 /nfs/dbraw/zinc/16/25/52/807162552.db2.gz NXNFOFHEYPSQMI-CJNGLKHVSA-N 1 1 258.365 3.200 20 30 CGEDMO C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)CCCCC)C1 ZINC001257516744 807190088 /nfs/dbraw/zinc/19/00/88/807190088.db2.gz DQXBNBJAOABFNU-LSDHHAIUSA-N 1 1 282.428 3.332 20 30 CGEDMO C#CC[NH+](CC#C)[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC001167464947 807195658 /nfs/dbraw/zinc/19/56/58/807195658.db2.gz SCIJYIFKPSZLML-LBPRGKRZSA-N 1 1 281.277 3.215 20 30 CGEDMO CCCCCCCCCC[C@H](C)[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC001257550158 807196243 /nfs/dbraw/zinc/19/62/43/807196243.db2.gz JUKYIRHZOYSFTM-JKSUJKDBSA-N 1 1 298.471 3.092 20 30 CGEDMO C=C1C[C@@H]2CC([NH2+][C@@H]3C[C@H]4CC[N@@H+](C3)[C@H]4C)C[C@H](C1)C2 ZINC001257887726 807238615 /nfs/dbraw/zinc/23/86/15/807238615.db2.gz HFRUZAYYMPPZDW-AHIDKQARSA-N 1 1 274.452 3.194 20 30 CGEDMO C=C1C[C@@H]2CC([NH2+][C@@H]3C[C@H]4CCN(C3)[C@H]4C)C[C@H](C1)C2 ZINC001257887726 807238619 /nfs/dbraw/zinc/23/86/19/807238619.db2.gz HFRUZAYYMPPZDW-AHIDKQARSA-N 1 1 274.452 3.194 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCCNc1cc(C#N)ccc1F ZINC001167751730 807240059 /nfs/dbraw/zinc/24/00/59/807240059.db2.gz MPGLCOVWCGTFRE-CYBMUJFWSA-N 1 1 275.371 3.374 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCC[C@](O)(CF)CC3)C[C@H](C1)C2 ZINC001257891243 807240915 /nfs/dbraw/zinc/24/09/15/807240915.db2.gz GFIRXSIWNFBGGX-FCLJQHQZSA-N 1 1 281.415 3.308 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CCC[C@]3(C)C(=O)OC)C[C@H](C1)C2 ZINC001257892372 807242636 /nfs/dbraw/zinc/24/26/36/807242636.db2.gz XLMBYHRIYFADOG-KJFZJZGVSA-N 1 1 277.408 3.149 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3C[C@H](CO)CC(F)(F)C3)C[C@H](C1)C2 ZINC001257891821 807242878 /nfs/dbraw/zinc/24/28/78/807242878.db2.gz PFOBLDNCXLEHTQ-PEUVFPKISA-N 1 1 285.378 3.071 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3C[C@H](CO)CC(F)(F)C3)C[C@H](C1)C2 ZINC001257891821 807242882 /nfs/dbraw/zinc/24/28/82/807242882.db2.gz PFOBLDNCXLEHTQ-PEUVFPKISA-N 1 1 285.378 3.071 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+](CCNC)C(C)(C)C)C[C@H](C1)C2 ZINC001257894531 807243903 /nfs/dbraw/zinc/24/39/03/807243903.db2.gz YMAJZYLYRSSYTE-XYPWUTKMSA-N 1 1 264.457 3.441 20 30 CGEDMO C=C1C[C@@H]2CC(N(CC[NH2+]C)C(C)(C)C)C[C@H](C1)C2 ZINC001257894531 807243907 /nfs/dbraw/zinc/24/39/07/807243907.db2.gz YMAJZYLYRSSYTE-XYPWUTKMSA-N 1 1 264.457 3.441 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1C[C@@H]2CN(CC)CCO[C@@H]2C1 ZINC001258047079 807273797 /nfs/dbraw/zinc/27/37/97/807273797.db2.gz GSORDIYSBXTENL-OKZBNKHCSA-N 1 1 296.499 3.388 20 30 CGEDMO CCCCCCC[C@H](C)[N@@H+]1CCn2c(CC)nnc2C1 ZINC001258049514 807275726 /nfs/dbraw/zinc/27/57/26/807275726.db2.gz JSYSGXBBMAWFEH-AWEZNQCLSA-N 1 1 278.444 3.405 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CCn2c(CC)nnc2C1 ZINC001258049514 807275728 /nfs/dbraw/zinc/27/57/28/807275728.db2.gz JSYSGXBBMAWFEH-AWEZNQCLSA-N 1 1 278.444 3.405 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC001258050491 807277289 /nfs/dbraw/zinc/27/72/89/807277289.db2.gz WAGZKNGGPFJMRQ-HUUCEWRRSA-N 1 1 266.429 3.042 20 30 CGEDMO C[C@@H]1C[C@@H](NC2(C#N)CCC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168004885 807298964 /nfs/dbraw/zinc/29/89/64/807298964.db2.gz BGNBMEGBQYWUPJ-ALXJQNPVSA-N 1 1 297.446 3.464 20 30 CGEDMO C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@@H]1CCO[C@@H](C)C1 ZINC001168130563 807317418 /nfs/dbraw/zinc/31/74/18/807317418.db2.gz HBSUQUSGNNSTHM-YXJHDRRASA-N 1 1 269.388 3.177 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](C[C@@H]2CCCC23CCOCC3)C1 ZINC001168384510 807399361 /nfs/dbraw/zinc/39/93/61/807399361.db2.gz ZPLMNRXMSSRLBQ-JKSUJKDBSA-N 1 1 276.424 3.209 20 30 CGEDMO CC(C)(C)[C@H]1CC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC001168402991 807406551 /nfs/dbraw/zinc/40/65/51/807406551.db2.gz MSNBCBBJFVVHKE-INIZCTEOSA-N 1 1 256.393 3.469 20 30 CGEDMO C[C@@H](Cc1cccnc1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001258632107 807518727 /nfs/dbraw/zinc/51/87/27/807518727.db2.gz UCANPOKUBVODAM-AWEZNQCLSA-N 1 1 265.360 3.016 20 30 CGEDMO C=CCC[C@H](C)[NH2+][C@@H](CCSC)C(=O)OC(C)C ZINC001258720990 807568891 /nfs/dbraw/zinc/56/88/91/807568891.db2.gz KNKQFJBKOCBWBC-STQMWFEESA-N 1 1 273.442 3.004 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@]2(C1)COCCN(C(C)C)C2 ZINC001258727602 807574857 /nfs/dbraw/zinc/57/48/57/807574857.db2.gz IDIPIKXAEVMQBC-QZTJIDSGSA-N 1 1 294.483 3.164 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1Cc2cnn(CC)c2[C@@H](COCC)C1 ZINC001258729687 807576010 /nfs/dbraw/zinc/57/60/10/807576010.db2.gz XFUNYEJBBFFAOL-GOEBONIOSA-N 1 1 291.439 3.193 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC001258730712 807577475 /nfs/dbraw/zinc/57/74/75/807577475.db2.gz MKTMPKKXVVLMDD-CYBMUJFWSA-N 1 1 271.408 3.109 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)Cc1ccc(OC)c(OC)c1 ZINC001258730704 807577700 /nfs/dbraw/zinc/57/77/00/807577700.db2.gz MHHRDHKKJBBSSO-CYBMUJFWSA-N 1 1 263.381 3.490 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](CCC(=O)OC)C1CCCC1 ZINC001258731643 807578016 /nfs/dbraw/zinc/57/80/16/807578016.db2.gz BMUNKLAREJUVJU-CYBMUJFWSA-N 1 1 253.386 3.149 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC001258733235 807579738 /nfs/dbraw/zinc/57/97/38/807579738.db2.gz WYRAVPQSOGVUNK-LBPRGKRZSA-N 1 1 257.381 3.067 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](C(=O)OCCCC)C1 ZINC001258735814 807582397 /nfs/dbraw/zinc/58/23/97/807582397.db2.gz CYOLAWFZYQUFPI-UONOGXRCSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](C(=O)OCCCC)C1 ZINC001258735813 807582413 /nfs/dbraw/zinc/58/24/13/807582413.db2.gz CYOLAWFZYQUFPI-KGLIPLIRSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](n2cc(Br)cn2)C1 ZINC001258735996 807582538 /nfs/dbraw/zinc/58/25/38/807582538.db2.gz HXMWGVYFSGSBNU-DGCLKSJQSA-N 1 1 298.228 3.247 20 30 CGEDMO CCCN1CCC([NH2+]C(C)(C)c2ccc(C#N)cc2)CC1 ZINC001258764807 807601734 /nfs/dbraw/zinc/60/17/34/807601734.db2.gz JPXJQKBOYKJDLO-UHFFFAOYSA-N 1 1 285.435 3.257 20 30 CGEDMO CCC[NH+]1CCC(NC(C)(C)c2ccc(C#N)cc2)CC1 ZINC001258764807 807601736 /nfs/dbraw/zinc/60/17/36/807601736.db2.gz JPXJQKBOYKJDLO-UHFFFAOYSA-N 1 1 285.435 3.257 20 30 CGEDMO N#C[C@H]1CC[N@H+](C2CCC(OC(=O)c3ccccc3)CC2)C1 ZINC001169304621 807626128 /nfs/dbraw/zinc/62/61/28/807626128.db2.gz GGAYLMHCHIMSBG-ODIFPOPNSA-N 1 1 298.386 3.000 20 30 CGEDMO N#C[C@@H]1CC[N@H+](C2CCC(OC(=O)c3ccccc3)CC2)C1 ZINC001169304622 807626202 /nfs/dbraw/zinc/62/62/02/807626202.db2.gz GGAYLMHCHIMSBG-OOHWJJMZSA-N 1 1 298.386 3.000 20 30 CGEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H]1CCC[C@@H](C)C1)C2 ZINC001258823687 807638471 /nfs/dbraw/zinc/63/84/71/807638471.db2.gz NNZVMVRSEKVDFR-ZJPYXAASSA-N 1 1 293.451 3.391 20 30 CGEDMO C#C[C@](C)(CC)Nc1[nH+]cnc2[nH]c3c(c21)CCCC3 ZINC001169693542 807689474 /nfs/dbraw/zinc/68/94/74/807689474.db2.gz WEQCHNVLFVXYKN-MRXNPFEDSA-N 1 1 268.364 3.051 20 30 CGEDMO C#C[C@](C)(CC)Nc1cc(F)c(C[NH+](C)C)c(F)c1 ZINC001169700210 807692178 /nfs/dbraw/zinc/69/21/78/807692178.db2.gz KTFCIIYLWMVECG-OAHLLOKOSA-N 1 1 266.335 3.240 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](CCCc2c(F)cccc2F)C1 ZINC001261544297 807756055 /nfs/dbraw/zinc/75/60/55/807756055.db2.gz NKGNVPBIJGLYSO-CYBMUJFWSA-N 1 1 281.346 3.174 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H]1CC[C@@H](C)C1)CC2 ZINC001170138344 807772963 /nfs/dbraw/zinc/77/29/63/807772963.db2.gz QMAXZTHLNOFDMD-RYRKJORJSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+]([C@H]1CC[C@@H](C)C1)C2 ZINC001170140291 807774050 /nfs/dbraw/zinc/77/40/50/807774050.db2.gz XIDXZVNHTPBTAZ-SOLBZPMBSA-N 1 1 290.451 3.208 20 30 CGEDMO Cc1c[nH+]c(NCC#Cc2ccccc2)c2[nH]ccc21 ZINC001170425782 807838651 /nfs/dbraw/zinc/83/86/51/807838651.db2.gz FOKFCAWOBVENCL-UHFFFAOYSA-N 1 1 261.328 3.335 20 30 CGEDMO Cn1c[nH+]c2cccc(NC3=CC[C@@H](C#N)CC3)c21 ZINC001212865152 815165265 /nfs/dbraw/zinc/16/52/65/815165265.db2.gz BUHCNIJMLOAPDY-LLVKDONJSA-N 1 1 252.321 3.193 20 30 CGEDMO N#Cc1cccc2c1CC[C@H]2Nc1cccn2cc[nH+]c12 ZINC001171064736 807978180 /nfs/dbraw/zinc/97/81/80/807978180.db2.gz MSAFFJUSWSKOJP-OAHLLOKOSA-N 1 1 274.327 3.305 20 30 CGEDMO N#C[C@@H]1CCC[N@H+]([C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171134963 807995853 /nfs/dbraw/zinc/99/58/53/807995853.db2.gz IVFSKOQMCAODGR-BLLLJJGKSA-N 1 1 274.795 3.433 20 30 CGEDMO C#CC[N@H+](C)[C@@H]1CCc2cc(Cl)c(Cl)cc2C1 ZINC001171160462 807998652 /nfs/dbraw/zinc/99/86/52/807998652.db2.gz BBMWHRVRPUGNQP-GFCCVEGCSA-N 1 1 268.187 3.416 20 30 CGEDMO C=C(CC(C)C)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001263769286 808002800 /nfs/dbraw/zinc/00/28/00/808002800.db2.gz VRXLTEJMQGLWKL-INIZCTEOSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@](C)(F)CCCC ZINC001263801725 808006911 /nfs/dbraw/zinc/00/69/11/808006911.db2.gz BSGLRHAJBSEARU-RDJZCZTQSA-N 1 1 298.446 3.404 20 30 CGEDMO CC[N@@H+](CCC#N)[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171381001 808040376 /nfs/dbraw/zinc/04/03/76/808040376.db2.gz QSFWMAGLSHWBIS-CYBMUJFWSA-N 1 1 264.319 3.058 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[C@@H](C=C)CC ZINC001264184425 808045926 /nfs/dbraw/zinc/04/59/26/808045926.db2.gz RZYFMLGZRHVOIL-IRXDYDNUSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C(CC(C)C)CC(C)C)[C@H]1C ZINC001264733518 808087436 /nfs/dbraw/zinc/08/74/36/808087436.db2.gz FPQPDEDMTWJSNB-WBVHZDCISA-N 1 1 294.483 3.460 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171544477 808089434 /nfs/dbraw/zinc/08/94/34/808089434.db2.gz VFPGLPILVNEPMC-DGCLKSJQSA-N 1 1 293.332 3.306 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C/C=C(\C)C=C)CC(C)(C)C1 ZINC001264754003 808093468 /nfs/dbraw/zinc/09/34/68/808093468.db2.gz UFIKTRJMJIYZLZ-WPBGYSLVSA-N 1 1 290.451 3.302 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCCC[N@H+](CC)CC(=C)Cl ZINC001265126049 808111401 /nfs/dbraw/zinc/11/14/01/808111401.db2.gz JCIHNHURLPHMJX-UHFFFAOYSA-N 1 1 286.847 3.169 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](CC)CCCCC)C1 ZINC001265233257 808122863 /nfs/dbraw/zinc/12/28/63/808122863.db2.gz PSPQPDRODJWTQS-IAGOWNOFSA-N 1 1 292.467 3.197 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](CC)CCCCC)C1 ZINC001265233257 808122866 /nfs/dbraw/zinc/12/28/66/808122866.db2.gz PSPQPDRODJWTQS-IAGOWNOFSA-N 1 1 292.467 3.197 20 30 CGEDMO CC(C)C[C@H](C#N)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171735388 808128369 /nfs/dbraw/zinc/12/83/69/808128369.db2.gz WIZSDFSROAULPI-CGTJXYLNSA-N 1 1 285.435 3.177 20 30 CGEDMO C[C@@H]1C[C@@H](N2CCC[C@H](C#N)CC2)C[N@H+]1Cc1ccccc1 ZINC001171763178 808133678 /nfs/dbraw/zinc/13/36/78/808133678.db2.gz ORATYXHHKGZEFC-ZIFCJYIRSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](C#N)CC2)CN1Cc1ccccc1 ZINC001171763178 808133682 /nfs/dbraw/zinc/13/36/82/808133682.db2.gz ORATYXHHKGZEFC-ZIFCJYIRSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1C[C@@H]([N@H+]2CCC[C@H](C#N)CC2)CN1Cc1ccccc1 ZINC001171763178 808133683 /nfs/dbraw/zinc/13/36/83/808133683.db2.gz ORATYXHHKGZEFC-ZIFCJYIRSA-N 1 1 297.446 3.275 20 30 CGEDMO CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C)CCCC)C1 ZINC001265388505 808138503 /nfs/dbraw/zinc/13/85/03/808138503.db2.gz GDEDGSIOAANAIA-DLBZAZTESA-N 1 1 292.467 3.006 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@H](C[N@@H+](C)CCCF)C1 ZINC001265395268 808139726 /nfs/dbraw/zinc/13/97/26/808139726.db2.gz SFLHYPINWYCMJK-NVXWUHKLSA-N 1 1 298.446 3.119 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@H](C(=O)OC)[C@@H]2CCCC[C@H]21 ZINC001171810310 808145421 /nfs/dbraw/zinc/14/54/21/808145421.db2.gz PWJRVGBLVAMKJT-HRCADAONSA-N 1 1 279.424 3.396 20 30 CGEDMO C#CC[N@@H+](Cc1cccc(C(F)F)c1)C1CSC1 ZINC001171867541 808150738 /nfs/dbraw/zinc/15/07/38/808150738.db2.gz GTZKAEUQESVRFE-UHFFFAOYSA-N 1 1 267.344 3.175 20 30 CGEDMO C#CC[N@H+](Cc1cccc(C(F)F)c1)C1CSC1 ZINC001171867541 808150742 /nfs/dbraw/zinc/15/07/42/808150742.db2.gz GTZKAEUQESVRFE-UHFFFAOYSA-N 1 1 267.344 3.175 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)C(CCC)CCC)C1 ZINC001265591522 808159029 /nfs/dbraw/zinc/15/90/29/808159029.db2.gz WLEPCICBBGDOKN-MRXNPFEDSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@]1(C)CC=CCC1 ZINC001265644862 808163042 /nfs/dbraw/zinc/16/30/42/808163042.db2.gz DBNVTDXQCZVNRD-SJLPKXTDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)CC1=CCCCC1 ZINC001265640534 808163094 /nfs/dbraw/zinc/16/30/94/808163094.db2.gz GDEZRUXTIYLVCH-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CCCC[N@H+]2CC2CC2)CCC1 ZINC001265651636 808164198 /nfs/dbraw/zinc/16/41/98/808164198.db2.gz MXLDNZQKRHWELT-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@](C)(F)CCCC ZINC001265647281 808164548 /nfs/dbraw/zinc/16/45/48/808164548.db2.gz NEBQZYQWHQBCAQ-GOEBONIOSA-N 1 1 284.419 3.062 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@](C)(F)CCCC ZINC001265647280 808165162 /nfs/dbraw/zinc/16/51/62/808165162.db2.gz NEBQZYQWHQBCAQ-GDBMZVCRSA-N 1 1 284.419 3.062 20 30 CGEDMO C[C@@H](C#N)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171986552 808165501 /nfs/dbraw/zinc/16/55/01/808165501.db2.gz ITJJEIDKVFAABA-DOTOQJQBSA-N 1 1 285.435 3.273 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)[C@H]1CCN(C2CC2)C(=O)C1 ZINC001172019068 808166790 /nfs/dbraw/zinc/16/67/90/808166790.db2.gz DRYJOPZHOZWVMP-SFHVURJKSA-N 1 1 298.430 3.218 20 30 CGEDMO SCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172061926 808169204 /nfs/dbraw/zinc/16/92/04/808169204.db2.gz JYYKKXWCGLHONG-OSYLJGHBSA-N 1 1 290.476 3.092 20 30 CGEDMO CCCCCCCC[N@@H+](C)[C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172180071 808190629 /nfs/dbraw/zinc/19/06/29/808190629.db2.gz WSMIWYNTCNTCQR-JKSUJKDBSA-N 1 1 280.456 3.432 20 30 CGEDMO CCCCCCC[N@@H+](CC)[C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172178743 808190751 /nfs/dbraw/zinc/19/07/51/808190751.db2.gz OCFCVIWGFPTBFV-JKSUJKDBSA-N 1 1 280.456 3.432 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)[C@@]1(C)CC=CCC1 ZINC001266045968 808205151 /nfs/dbraw/zinc/20/51/51/808205151.db2.gz SLISPCMYNDFWGG-KRWDZBQOSA-N 1 1 278.440 3.137 20 30 CGEDMO C#CCC[N@@H+](CC)CCCNC(=O)C1CCCCCCC1 ZINC001266062316 808207156 /nfs/dbraw/zinc/20/71/56/808207156.db2.gz HUPWUCXKXSRVJP-UHFFFAOYSA-N 1 1 292.467 3.198 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)c1cc(C)cc(C)c1 ZINC001266103153 808210974 /nfs/dbraw/zinc/21/09/74/808210974.db2.gz RTGWOYPYCVPPKX-UHFFFAOYSA-N 1 1 288.435 3.321 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)CCc1ccncc1 ZINC001172305146 808221619 /nfs/dbraw/zinc/22/16/19/808221619.db2.gz BXMIPQSRQYYWAZ-OAHLLOKOSA-N 1 1 279.387 3.059 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)N1CCC([N@@H+](C)C2CC2)CC1 ZINC001172311173 808223028 /nfs/dbraw/zinc/22/30/28/808223028.db2.gz QGBSGKOPJMMUSI-HNNXBMFYSA-N 1 1 297.446 3.048 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001172316963 808226513 /nfs/dbraw/zinc/22/65/13/808226513.db2.gz YZFWTBMRSCISDB-MAZHCROVSA-N 1 1 290.357 3.466 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001172318540 808228035 /nfs/dbraw/zinc/22/80/35/808228035.db2.gz HCQJOSQELILWCC-PILAGYSTSA-N 1 1 279.387 3.256 20 30 CGEDMO C=CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)CCO[C@H](C)CC ZINC001172326722 808235493 /nfs/dbraw/zinc/23/54/93/808235493.db2.gz LDEFQQXGSLFLFM-XHSDSOJGSA-N 1 1 299.455 3.314 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001266314977 808242019 /nfs/dbraw/zinc/24/20/19/808242019.db2.gz NEOVMLDRJBHUNC-ZFWWWQNUSA-N 1 1 294.414 3.329 20 30 CGEDMO C=C1CC(C)(C(=O)NCC[N@H+](C)C/C=C\c2ccccc2)C1 ZINC001266323602 808242088 /nfs/dbraw/zinc/24/20/88/808242088.db2.gz HWHYFRDTAPDFEV-YFHOEESVSA-N 1 1 298.430 3.104 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCNC(=O)CCC1CCCCC1 ZINC001266354993 808247826 /nfs/dbraw/zinc/24/78/26/808247826.db2.gz XEPKCLBSRMCEER-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C2CCC(C)(C)CC2)C1 ZINC001266361372 808248731 /nfs/dbraw/zinc/24/87/31/808248731.db2.gz LYQGNWSOMRFLGZ-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CC[N@H+]1CC[C@H](NC(=O)[C@@](C)(CC)CCCCCC)C1 ZINC001266359512 808248841 /nfs/dbraw/zinc/24/88/41/808248841.db2.gz XNHKZUDNWLIIJM-WMZOPIPTSA-N 1 1 292.467 3.197 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@@](C)(CC)CCCCCC)C1 ZINC001266359512 808248843 /nfs/dbraw/zinc/24/88/43/808248843.db2.gz XNHKZUDNWLIIJM-WMZOPIPTSA-N 1 1 292.467 3.197 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1C[C@H]2CN(C)C(=O)[C@H]2C1 ZINC001172355934 808251001 /nfs/dbraw/zinc/25/10/01/808251001.db2.gz SMSPKVXCLDZJSS-OAGGEKHMSA-N 1 1 280.456 3.146 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CC[C@H](NC(C)=O)C1 ZINC001172362552 808257373 /nfs/dbraw/zinc/25/73/73/808257373.db2.gz ZRSRJLNJMMTCRN-JKSUJKDBSA-N 1 1 268.445 3.336 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)C2(CC)CC2)C1 ZINC001266466685 808270139 /nfs/dbraw/zinc/27/01/39/808270139.db2.gz TVXRWLKOFGLXLZ-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)CC=C)C1 ZINC001266469465 808271150 /nfs/dbraw/zinc/27/11/50/808271150.db2.gz MHHHFQBNAPLRPY-MRXNPFEDSA-N 1 1 292.467 3.335 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CC(C)=C(C)C)C1 ZINC001266464355 808271620 /nfs/dbraw/zinc/27/16/20/808271620.db2.gz YWLLMJUSBFILMN-KRWDZBQOSA-N 1 1 292.467 3.479 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@@H]1CCC[N@H+]1CC=C(C)C ZINC001266477765 808272628 /nfs/dbraw/zinc/27/26/28/808272628.db2.gz VGYNLTZOBXCCLR-HOTGVXAUSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCN1CC[C@@]2(CCC[N@H+]([C@@H](CC)CC(C)C)C2)C1=O ZINC001172403515 808291728 /nfs/dbraw/zinc/29/17/28/808291728.db2.gz ULHDBPFXHWGANN-FUHWJXTLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)c1ccc(C)cc1C)C1CC1 ZINC001266617495 808297879 /nfs/dbraw/zinc/29/78/79/808297879.db2.gz LLMZHSYLHNJKAN-UHFFFAOYSA-N 1 1 286.419 3.074 20 30 CGEDMO CCCCCCCC[N@@H+](CCN)[C@H](C)CCOCC ZINC001172421648 808303262 /nfs/dbraw/zinc/30/32/62/808303262.db2.gz YUPFTMQVGXBFBM-MRXNPFEDSA-N 1 1 272.477 3.423 20 30 CGEDMO CCCCCCCCN(CC[NH3+])[C@H](C)CCOCC ZINC001172421648 808303272 /nfs/dbraw/zinc/30/32/72/808303272.db2.gz YUPFTMQVGXBFBM-MRXNPFEDSA-N 1 1 272.477 3.423 20 30 CGEDMO C#CC[N@H+]([C@H](C)CCOCC)[C@@H]1CCc2ccccc21 ZINC001172429018 808306135 /nfs/dbraw/zinc/30/61/35/808306135.db2.gz QSBCYWRLNCPZCE-CRAIPNDOSA-N 1 1 271.404 3.424 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](CNC(=O)C[C@@H]2CC=CCC2)C1 ZINC001266757786 808312364 /nfs/dbraw/zinc/31/23/64/808312364.db2.gz HWHWVCWUDISGLS-IAGOWNOFSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)C(CC)CC)C1 ZINC001266754396 808312993 /nfs/dbraw/zinc/31/29/93/808312993.db2.gz BXEPSXFGFADKGQ-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C[C@H](C)CCC ZINC001266836987 808321300 /nfs/dbraw/zinc/32/13/00/808321300.db2.gz GPEVOHDKJOMLQC-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CCCC2CC2)C1 ZINC001266893169 808330409 /nfs/dbraw/zinc/33/04/09/808330409.db2.gz BAHGLYFHRGQFKC-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO COc1ccc(CC[N@@H+](C)[C@@H](C)CCCC#N)cc1OC ZINC001172494753 808352907 /nfs/dbraw/zinc/35/29/07/808352907.db2.gz XTFPCWKREIVGHB-AWEZNQCLSA-N 1 1 290.407 3.260 20 30 CGEDMO CCOC[C@@]12CCC[C@@H]1C[N@H+]([C@H](C)CCCC#N)C2 ZINC001172494575 808353824 /nfs/dbraw/zinc/35/38/24/808353824.db2.gz IICAGAZLIFMBEI-OAGGEKHMSA-N 1 1 264.413 3.207 20 30 CGEDMO CC(C)[N@@H+](CCNC(=O)OC(C)(C)C)[C@H](C)CCCC#N ZINC001172500390 808355980 /nfs/dbraw/zinc/35/59/80/808355980.db2.gz NEIWFZBDPZFSTF-CQSZACIVSA-N 1 1 297.443 3.304 20 30 CGEDMO CCCCCCCC[C@H](CC)[N@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC001172505481 808359741 /nfs/dbraw/zinc/35/97/41/808359741.db2.gz NXMLNDNCJSWFOG-KKUMJFAQSA-N 1 1 286.435 3.413 20 30 CGEDMO CCCCCCCC[C@@H](CC)[N@H+]1CCNC(=O)CC1 ZINC001172506047 808362019 /nfs/dbraw/zinc/36/20/19/808362019.db2.gz ZXTPMOVSLWIJQT-OAHLLOKOSA-N 1 1 268.445 3.338 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCC(=O)[C@@H](C)C12CCCC2 ZINC001172506489 808362617 /nfs/dbraw/zinc/36/26/17/808362617.db2.gz UVDVWGRXYVTPJT-UONOGXRCSA-N 1 1 262.397 3.292 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001172508437 808363523 /nfs/dbraw/zinc/36/35/23/808363523.db2.gz CZHXQAGXTGIRRR-CABZTGNLSA-N 1 1 286.301 3.425 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCN(Cc2ccccc2)C[C@@H]1C ZINC001172507571 808364423 /nfs/dbraw/zinc/36/44/23/808364423.db2.gz WTASEISQBAHDIL-SJORKVTESA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@H](CCCC#N)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001172507571 808364431 /nfs/dbraw/zinc/36/44/31/808364431.db2.gz WTASEISQBAHDIL-SJORKVTESA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@H](CCCC#N)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001172507571 808364439 /nfs/dbraw/zinc/36/44/39/808364439.db2.gz WTASEISQBAHDIL-SJORKVTESA-N 1 1 285.435 3.275 20 30 CGEDMO CCCCCCC[C@@H](CCC)[N@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC001172510913 808366239 /nfs/dbraw/zinc/36/62/39/808366239.db2.gz JXZOVYAHYUXGMQ-ZNMIVQPWSA-N 1 1 286.435 3.413 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001172509872 808366684 /nfs/dbraw/zinc/36/66/84/808366684.db2.gz SILWEYRCTFRHNN-BHIYHBOVSA-N 1 1 297.446 3.275 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1CCCNC(=O)/C(C)=C\C ZINC001267164049 808371380 /nfs/dbraw/zinc/37/13/80/808371380.db2.gz AYLDBEGEBJHPLT-DNBBOTNYSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(CC)s1 ZINC001267205808 808381078 /nfs/dbraw/zinc/38/10/78/808381078.db2.gz AILBKRFXBFBFCW-CYBMUJFWSA-N 1 1 294.464 3.327 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[N@H+](C)Cc1cccc(CC)c1 ZINC001267212365 808383696 /nfs/dbraw/zinc/38/36/96/808383696.db2.gz MVTYHDZQXZYVHP-UHFFFAOYSA-N 1 1 288.435 3.009 20 30 CGEDMO C=CCC[N@H+](CC)CCNC(=O)[C@]1(C)CCC[C@@H]1CC ZINC001267245386 808394339 /nfs/dbraw/zinc/39/43/39/808394339.db2.gz GKRTWJDTVUZJIY-DOTOQJQBSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)c1c(C)cccc1C ZINC001267250171 808395070 /nfs/dbraw/zinc/39/50/70/808395070.db2.gz HUADPPJEWKLCRC-UHFFFAOYSA-N 1 1 288.435 3.321 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)[C@H]1CCCC12CC2 ZINC001267245332 808395491 /nfs/dbraw/zinc/39/54/91/808395491.db2.gz DPOBQYTTWGXOLP-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H]1CCC[N@H+]1Cc1ccsc1 ZINC001267270355 808401281 /nfs/dbraw/zinc/40/12/81/808401281.db2.gz SYKOFFPFPKSQCS-OAHLLOKOSA-N 1 1 292.448 3.185 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C1(CC)CCCC1 ZINC001267279933 808403359 /nfs/dbraw/zinc/40/33/59/808403359.db2.gz NVWDQPRKUCRQMM-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO CC#CC[N@H+](CCNC(=O)C[C@H](CC)C(C)(C)C)C1CC1 ZINC001267336337 808416734 /nfs/dbraw/zinc/41/67/34/808416734.db2.gz NHWICNXXFLEBAW-HNNXBMFYSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CC[N@H+](CCNC(=O)[C@H](C)C1CCCC1)C1CC1 ZINC001267336315 808417084 /nfs/dbraw/zinc/41/70/84/808417084.db2.gz MLBSGVFCJMBNED-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+]([C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172724491 808420414 /nfs/dbraw/zinc/42/04/14/808420414.db2.gz NDALNAAKEWOABQ-HUUCEWRRSA-N 1 1 260.768 3.043 20 30 CGEDMO C[C@]1(C#N)CC[N@H+]([C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172724491 808420417 /nfs/dbraw/zinc/42/04/17/808420417.db2.gz NDALNAAKEWOABQ-HUUCEWRRSA-N 1 1 260.768 3.043 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1)C(C)C ZINC001267505074 808434761 /nfs/dbraw/zinc/43/47/61/808434761.db2.gz IEFZXDOSSHQZKG-BJWYYQGGSA-N 1 1 292.467 3.215 20 30 CGEDMO COC(=O)[C@@H]1CCC[C@@H]([N@@H+](CCC#N)C2CCCC2)CC1 ZINC001172791684 808441203 /nfs/dbraw/zinc/44/12/03/808441203.db2.gz MESBIYITYZBJBM-GDBMZVCRSA-N 1 1 292.423 3.267 20 30 CGEDMO C=C(C)CCC(=O)NCC[C@H]1CC[N@H+](CCC(=C)C)C1 ZINC001267535870 808441209 /nfs/dbraw/zinc/44/12/09/808441209.db2.gz HJZPSPKYVHGONH-INIZCTEOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC)CCCC1 ZINC001267538593 808441998 /nfs/dbraw/zinc/44/19/98/808441998.db2.gz UOAZCNNMYXOAIX-IYBDPMFKSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](CCNC(=O)C2(CC=C)CCC2)C1 ZINC001267564566 808447974 /nfs/dbraw/zinc/44/79/74/808447974.db2.gz BZYBZOSKQLECHF-MRXNPFEDSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC[C@@H](C[N@@H+](C)CC2CCC2)C1 ZINC001267589620 808453221 /nfs/dbraw/zinc/45/32/21/808453221.db2.gz OYDCZBCODKJUAW-RDJZCZTQSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](C)C2CCCCC2)C1 ZINC001267618491 808458780 /nfs/dbraw/zinc/45/87/80/808458780.db2.gz TXDLCGXYWHXFTE-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C)CCC)C1 ZINC001267623122 808460885 /nfs/dbraw/zinc/46/08/85/808460885.db2.gz CGNYUCZFEHQPOC-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO C[C@]1(C#N)CC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172911458 808476542 /nfs/dbraw/zinc/47/65/42/808476542.db2.gz CHJMZPRVNOLWEN-NVXWUHKLSA-N 1 1 299.374 3.078 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001267723802 808477018 /nfs/dbraw/zinc/47/70/18/808477018.db2.gz KVBLOVLRBONZBY-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001267727331 808478138 /nfs/dbraw/zinc/47/81/38/808478138.db2.gz CGOXVLWJLVHECK-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+](C)CC1CCN(C(=O)C/C=C(\C)C=C)CC1 ZINC001267740073 808480409 /nfs/dbraw/zinc/48/04/09/808480409.db2.gz SETSEDLMYMZCBL-LZYBPNLTSA-N 1 1 290.451 3.255 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001267744774 808481620 /nfs/dbraw/zinc/48/16/20/808481620.db2.gz ZHANDJIJHFMYSH-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)F)C1 ZINC001267755824 808485024 /nfs/dbraw/zinc/48/50/24/808485024.db2.gz RSWAQRHHZXMJPQ-CQSZACIVSA-N 1 1 286.435 3.238 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)C=C2CCCCC2)C1 ZINC001267781213 808492638 /nfs/dbraw/zinc/49/26/38/808492638.db2.gz DQFBSYKTCSKFIL-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](C2CCC3(CCOCC3)CC2)C1 ZINC001173049842 808499329 /nfs/dbraw/zinc/49/93/29/808499329.db2.gz ISEUTFYGVBDRTL-OAHLLOKOSA-N 1 1 276.424 3.351 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)CCCC[C@H](C)CC)C1 ZINC001267937705 808517600 /nfs/dbraw/zinc/51/76/00/808517600.db2.gz SYPURAVQGLWQKQ-IAGOWNOFSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)CCC(=O)N1CCC2(CC[N@H+](C(C)C)C2)CC1 ZINC001267973530 808522691 /nfs/dbraw/zinc/52/26/91/808522691.db2.gz SPXOGTHQPMUERI-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[NH+]1CC(NC(=O)[C@@H](CC=C)c2ccccc2)C1 ZINC001268484285 808592058 /nfs/dbraw/zinc/59/20/58/808592058.db2.gz FIZUPQSBICDPPZ-SFHVURJKSA-N 1 1 298.430 3.113 20 30 CGEDMO C=CCOC1CCC(N2CCC([NH+]3CCCC3)CC2)CC1 ZINC001173319322 808610428 /nfs/dbraw/zinc/61/04/28/808610428.db2.gz FFWHYLFQEVZGSM-UHFFFAOYSA-N 1 1 292.467 3.060 20 30 CGEDMO C=CCOC1CCC([N@H+]2CCC[C@H](OCC)C2)CC1 ZINC001173321088 808611757 /nfs/dbraw/zinc/61/17/57/808611757.db2.gz WEZMNYQBKCSXHZ-GPANFISMSA-N 1 1 267.413 3.001 20 30 CGEDMO C=CCOC1CCC([N@H+]2CC[C@@](C)(F)[C@H](F)C2)CC1 ZINC001173321355 808611830 /nfs/dbraw/zinc/61/18/30/808611830.db2.gz JIWVXVLSBALTSZ-NEXFUWMNSA-N 1 1 273.367 3.272 20 30 CGEDMO C=CCOC1CCC([N@H+]2CC[C@H](c3ccccn3)C2)CC1 ZINC001173327303 808612355 /nfs/dbraw/zinc/61/23/55/808612355.db2.gz LTFOKKZPPIWXCG-GTPINHCMSA-N 1 1 286.419 3.385 20 30 CGEDMO CC(C)[C@@H]([NH2+]C1CCC(CC#N)CC1)C(=O)OC(C)(C)C ZINC001173326069 808612414 /nfs/dbraw/zinc/61/24/14/808612414.db2.gz RYYHWVZZLUJZIX-YMAMQOFZSA-N 1 1 294.439 3.415 20 30 CGEDMO C=CCOC1CCC([N@H+]2CC[C@@H](c3cccnc3)C2)CC1 ZINC001173327357 808612521 /nfs/dbraw/zinc/61/25/21/808612521.db2.gz MBGMDPKKJYXGQM-WWDZGPRUSA-N 1 1 286.419 3.385 20 30 CGEDMO CC1CCN(CCC[NH2+]C2CCC(CC#N)CC2)CC1 ZINC001173325260 808612681 /nfs/dbraw/zinc/61/26/81/808612681.db2.gz GCRGCEROJMEXIT-UHFFFAOYSA-N 1 1 277.456 3.170 20 30 CGEDMO C=CCOC1CCC([N@H+]2CC[C@H](C(F)(F)F)C2)CC1 ZINC001173327855 808613940 /nfs/dbraw/zinc/61/39/40/808613940.db2.gz UQAOQYMONBNYDX-HIFPTAJRSA-N 1 1 277.330 3.384 20 30 CGEDMO N#CCC1CCC([NH2+]C2CCN(CC3CCC3)CC2)CC1 ZINC001173334665 808617692 /nfs/dbraw/zinc/61/76/92/808617692.db2.gz VSMFPQWWISEEOQ-UHFFFAOYSA-N 1 1 289.467 3.313 20 30 CGEDMO Cc1nc([C@H]2CCCC[N@@H+]2C2CCC(CC#N)CC2)no1 ZINC001173339935 808619934 /nfs/dbraw/zinc/61/99/34/808619934.db2.gz VRWCSMDKZHZTJU-YMAMQOFZSA-N 1 1 288.395 3.378 20 30 CGEDMO Cc1nc([C@H]2CCCC[N@H+]2C2CCC(CC#N)CC2)no1 ZINC001173339935 808619939 /nfs/dbraw/zinc/61/99/39/808619939.db2.gz VRWCSMDKZHZTJU-YMAMQOFZSA-N 1 1 288.395 3.378 20 30 CGEDMO N#CCC1CCC([N@H+]2CC[C@]3(CC3(F)F)C2)CC1 ZINC001173339046 808620159 /nfs/dbraw/zinc/62/01/59/808620159.db2.gz KLUUCGXKSLYWPE-BPCQOVAHSA-N 1 1 254.324 3.190 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)c1cc2ccccc2o1 ZINC001268757024 808625155 /nfs/dbraw/zinc/62/51/55/808625155.db2.gz QRNNPDWUKDSPII-CYBMUJFWSA-N 1 1 286.375 3.059 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001269103878 808647590 /nfs/dbraw/zinc/64/75/90/808647590.db2.gz FMKZDFMYIQCVKL-NWDGAFQWSA-N 1 1 296.798 3.092 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CCc3cccc(O)c3C2)CC1 ZINC001173598996 808651524 /nfs/dbraw/zinc/65/15/24/808651524.db2.gz XSRKPPLMCAUFPE-UHFFFAOYSA-N 1 1 270.376 3.223 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)c1ccoc1CC ZINC001269229301 808657916 /nfs/dbraw/zinc/65/79/16/808657916.db2.gz GWAOWXUEBUSOKJ-KBPBESRZSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CCCCC[N@H+](C)[C@H]1CC[C@@H](CC(=O)OCC)C1 ZINC001173655850 808661696 /nfs/dbraw/zinc/66/16/96/808661696.db2.gz BULGSDBTOYCGBC-CABCVRRESA-N 1 1 267.413 3.396 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC=CCC2)C1 ZINC001269263677 808661865 /nfs/dbraw/zinc/66/18/65/808661865.db2.gz SVEWNSWINQXWDI-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]1CNC(=O)CC/C=C\c1ccccc1 ZINC001269293084 808666621 /nfs/dbraw/zinc/66/66/21/808666621.db2.gz UYTLTFIYHDCRKN-VTSXBNNFSA-N 1 1 298.430 3.247 20 30 CGEDMO CCCCCCCC[N@@H+](C)[C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173761735 808670598 /nfs/dbraw/zinc/67/05/98/808670598.db2.gz VWULLYXVZIBTOK-CVEARBPZSA-N 1 1 293.459 3.449 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)C(CC(C)C)CC(C)C ZINC001269353026 808673404 /nfs/dbraw/zinc/67/34/04/808673404.db2.gz YPZOIWYAHDMXPS-KRWDZBQOSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)C2(F)CCCC2)C1 ZINC001270975132 808758085 /nfs/dbraw/zinc/75/80/85/808758085.db2.gz VQVCICIOLBRALU-INIZCTEOSA-N 1 1 296.430 3.063 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC=C(C)C)C2 ZINC001271416136 808769744 /nfs/dbraw/zinc/76/97/44/808769744.db2.gz ZJXXNEIUIKKBNQ-ULQDDVLXSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[N@H+](C)CCC1CCN(C(=O)c2ccco2)CC1 ZINC001271758895 808782933 /nfs/dbraw/zinc/78/29/33/808782933.db2.gz IWOVZDGUMMONFQ-UHFFFAOYSA-N 1 1 290.407 3.030 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)[C@H](C)c1ccccc1C ZINC001272178261 808800843 /nfs/dbraw/zinc/80/08/43/808800843.db2.gz FERCCJLZYCPZDB-MRXNPFEDSA-N 1 1 288.435 3.065 20 30 CGEDMO C=C(C)CN1CC[C@]2(CCC[N@H+](C[C@H](C)CC)CC2)C1=O ZINC001272422492 808806519 /nfs/dbraw/zinc/80/65/19/808806519.db2.gz SDPSAMKFEFBLKA-SJLPKXTDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2CC1CCCC1 ZINC001272499791 808815025 /nfs/dbraw/zinc/81/50/25/808815025.db2.gz MLZQFHZEIVPRCS-GOSISDBHSA-N 1 1 290.451 3.210 20 30 CGEDMO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccccc1C ZINC001272639313 808818424 /nfs/dbraw/zinc/81/84/24/808818424.db2.gz TYRGJACHJYCIFN-LJQANCHMSA-N 1 1 298.430 3.138 20 30 CGEDMO N#Cc1ncc(Nc2cc[nH+]c3ccccc23)cc1Cl ZINC001174038267 808835599 /nfs/dbraw/zinc/83/55/99/808835599.db2.gz POCBQUIWUJAJET-UHFFFAOYSA-N 1 1 280.718 3.320 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@@]12CC(=O)N(CC(C)C)C2 ZINC001273491815 808848180 /nfs/dbraw/zinc/84/81/80/808848180.db2.gz KVTXWEIMAVIGMW-KRWDZBQOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@]12CCN(CC1CCCC1)C2=O ZINC001273491999 808848870 /nfs/dbraw/zinc/84/88/70/808848870.db2.gz MQZGOBPSRWLSPS-SFHVURJKSA-N 1 1 290.451 3.210 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@@]12CCN(CC(C)C)C2=O ZINC001273501460 808849542 /nfs/dbraw/zinc/84/95/42/808849542.db2.gz RZSYSZDCFCWILW-KRWDZBQOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCN(C)C(=O)C#CC(C)(C)C ZINC001273507751 808850093 /nfs/dbraw/zinc/85/00/93/808850093.db2.gz LSQPSWWNBBRXQB-MRXNPFEDSA-N 1 1 292.467 3.171 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@]12CCN([C@@H](C)CC)C2=O ZINC001273495186 808850492 /nfs/dbraw/zinc/85/04/92/808850492.db2.gz PUDDRLJQEPJETM-DOTOQJQBSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)[C@@H](C)c1ccsc1 ZINC001273559729 808853294 /nfs/dbraw/zinc/85/32/94/808853294.db2.gz CZACODYZHKPGBU-AWEZNQCLSA-N 1 1 294.464 3.208 20 30 CGEDMO C=CCC[N@@H+]1Cc2ccc(CNC(=O)/C(C)=C/C)cc2C1 ZINC001274027928 808866647 /nfs/dbraw/zinc/86/66/47/808866647.db2.gz PCRXGWFPNXMKCM-LHHJGKSTSA-N 1 1 284.403 3.161 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(C)=O)C(C)(C)C1 ZINC001274407297 808874828 /nfs/dbraw/zinc/87/48/28/808874828.db2.gz TVYPABCIRVUSAJ-HNNXBMFYSA-N 1 1 268.445 3.193 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCCCC)C(C)(C)C1 ZINC001274417760 808875955 /nfs/dbraw/zinc/87/59/55/808875955.db2.gz XXCCKTQRXLPMMS-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](C/C=C\Cl)[C@@H](C)C1 ZINC001274622048 808880290 /nfs/dbraw/zinc/88/02/90/808880290.db2.gz ADONYEMIFFCPIW-FXGKEJOTSA-N 1 1 284.831 3.064 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C2(CCC)CC2)C[C@H]1C ZINC001274646503 808880711 /nfs/dbraw/zinc/88/07/11/808880711.db2.gz YDDZCULAJCTFIN-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]2CN(CCCC(F)(F)F)C[C@H]21 ZINC001274961842 808895505 /nfs/dbraw/zinc/89/55/05/808895505.db2.gz BUNNTQPRCIXGMB-UONOGXRCSA-N 1 1 290.373 3.301 20 30 CGEDMO C=CCCCCN1CC[C@H]2C[N@H+](C3CCCC3)C[C@H]21 ZINC001274975052 808896627 /nfs/dbraw/zinc/89/66/27/808896627.db2.gz VMRKRTSRWCBUHH-DOTOQJQBSA-N 1 1 262.441 3.291 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)CCC ZINC001275135181 808914039 /nfs/dbraw/zinc/91/40/39/808914039.db2.gz GJQRXVMNPIRCRX-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@H]1C[N@H+](C)CCCC ZINC001275129398 808914187 /nfs/dbraw/zinc/91/41/87/808914187.db2.gz UEHBYQOKQRNJDV-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)CC(CC)CC ZINC001275159782 808919364 /nfs/dbraw/zinc/91/93/64/808919364.db2.gz GRCUTQIONILIAB-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)C[C@@H](C)C1CC1 ZINC001275176434 808920379 /nfs/dbraw/zinc/92/03/79/808920379.db2.gz OJFMEMLXKOFPCD-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO N#Cc1c(Nc2ccc3[nH+]ccn3c2)sc2c1CCC2 ZINC001174277529 808924398 /nfs/dbraw/zinc/92/43/98/808924398.db2.gz YELOTDQMLQOHHK-UHFFFAOYSA-N 1 1 280.356 3.500 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001275565832 808949301 /nfs/dbraw/zinc/94/93/01/808949301.db2.gz JQEYDMRLWNIWEE-HOTGVXAUSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC001275628957 808953645 /nfs/dbraw/zinc/95/36/45/808953645.db2.gz IHXWZTIJZPBDJF-HOTGVXAUSA-N 1 1 288.435 3.225 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)c1ccsc1 ZINC001275929139 808976433 /nfs/dbraw/zinc/97/64/33/808976433.db2.gz YYCQUQTVIJTJNW-KGLIPLIRSA-N 1 1 294.464 3.254 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC2CCC1CC2 ZINC001276012460 808985024 /nfs/dbraw/zinc/98/50/24/808985024.db2.gz PUQXJOMODCAMSV-RDHHWEPZSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)CC1CCC1 ZINC001276288253 808998943 /nfs/dbraw/zinc/99/89/43/808998943.db2.gz BFNIYQSBUGCLNL-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1CCCCC[N@@H+]1CC[C@H](C)F ZINC001276300120 809000259 /nfs/dbraw/zinc/00/02/59/809000259.db2.gz OWKNDHSIZRIKHJ-HOTGVXAUSA-N 1 1 298.446 3.452 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)C1CCCCC1 ZINC001276941803 809047032 /nfs/dbraw/zinc/04/70/32/809047032.db2.gz QPHFJDDGHGZBJF-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCCCCCCCC[N@H+]1CC[C@H]2C[C@]21C(N)=O ZINC001277234440 809065154 /nfs/dbraw/zinc/06/51/54/809065154.db2.gz ZXEDHFNPRCQKFH-GOEBONIOSA-N 1 1 266.429 3.077 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC([N@H+](C)CCCC)CC1 ZINC001277423346 809073653 /nfs/dbraw/zinc/07/36/53/809073653.db2.gz PMRVKPUIOQQJDY-QGZVFWFLSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CCC[N@H+](C)C1CCN(C(=O)[C@@H](CC)CC(C)C)CC1 ZINC001277434720 809076252 /nfs/dbraw/zinc/07/62/52/809076252.db2.gz FZLYKCRQZRXXLP-INIZCTEOSA-N 1 1 292.467 3.005 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1C[C@H]2C[C@@]2(C(=O)N(C)C)C1 ZINC001278037148 809113124 /nfs/dbraw/zinc/11/31/24/809113124.db2.gz KZKDZCNPSIGSJQ-CDGFNTGHSA-N 1 1 292.467 3.313 20 30 CGEDMO CCCC[N@H+]1CC[C@@H]2C[C@@]21C(=O)Nc1cc(C)ccc1C#N ZINC001278217315 809120826 /nfs/dbraw/zinc/12/08/26/809120826.db2.gz BBKYHLKXSZLNQF-QAPCUYQASA-N 1 1 297.402 3.070 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)CCC=C ZINC001278303434 809124654 /nfs/dbraw/zinc/12/46/54/809124654.db2.gz QLRIUHAGQMBDFS-BBWFWOEESA-N 1 1 290.451 3.373 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)CCCC)C1 ZINC001278364666 809128467 /nfs/dbraw/zinc/12/84/67/809128467.db2.gz XOCRFGJJYANIKO-ZBFHGGJFSA-N 1 1 266.429 3.112 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@]2(NC(=O)CC3CC3)CCC[C@H]12 ZINC001278433929 809134262 /nfs/dbraw/zinc/13/42/62/809134262.db2.gz ZZBNWMMCUIEHAR-ZVZYQTTQSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)CCC3CCC3)CCC[C@@H]12 ZINC001278447912 809135309 /nfs/dbraw/zinc/13/53/09/809135309.db2.gz WFBLPIRIWQTPJX-SJLPKXTDSA-N 1 1 290.451 3.256 20 30 CGEDMO C=CCCC(=O)NC[C@]1(C)CCC[N@H+](CC=C(C)C)C1 ZINC001278646889 809147914 /nfs/dbraw/zinc/14/79/14/809147914.db2.gz GUUPJKCGPUDKEA-KRWDZBQOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)CCC2CC2)CC1 ZINC001279519066 809173514 /nfs/dbraw/zinc/17/35/14/809173514.db2.gz CMDJTNRBFBMNCO-HNNXBMFYSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+](C)Cc1ccccc1CNC(=O)CC ZINC001280314779 809183931 /nfs/dbraw/zinc/18/39/31/809183931.db2.gz BNMBEEILLNAJRG-UHFFFAOYSA-N 1 1 274.408 3.111 20 30 CGEDMO C=CC[C@H]1CC[N@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC001174891233 809193217 /nfs/dbraw/zinc/19/32/17/809193217.db2.gz RCOBMKAVCUQUNI-KBPBESRZSA-N 1 1 251.414 3.478 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)CC[C@@H](C)CC)CC1 ZINC001280758498 809197517 /nfs/dbraw/zinc/19/75/17/809197517.db2.gz AVRZVYUUYFYLRM-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CCC[N@@H+]1Cc2ccc(CNC(=O)CC(C)(C)C)cc2C1 ZINC001281285183 809207359 /nfs/dbraw/zinc/20/73/59/809207359.db2.gz UEECKXKWUBXETM-UHFFFAOYSA-N 1 1 298.430 3.078 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)C2CCC2)C(C)(C)C1 ZINC001281537221 809213554 /nfs/dbraw/zinc/21/35/54/809213554.db2.gz VKSBJFFNCKXRMI-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)CC1CCC1 ZINC001281930199 809223377 /nfs/dbraw/zinc/22/33/77/809223377.db2.gz UQDUVFWUFZPQGR-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1C[N@@H+](C)CCC1CC1 ZINC001281956053 809225041 /nfs/dbraw/zinc/22/50/41/809225041.db2.gz AFWROJQKLUZXMI-AEFFLSMTSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)CC1CCCC1 ZINC001282344346 809241901 /nfs/dbraw/zinc/24/19/01/809241901.db2.gz VPTRZOXOHLDMPF-HUUCEWRRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)c1ccn(C(C)C)c1C ZINC001282450980 809248137 /nfs/dbraw/zinc/24/81/37/809248137.db2.gz QHODZUMBCBGTCM-CQSZACIVSA-N 1 1 291.439 3.004 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@H](C)CNC(=O)C(C)(C)CC ZINC001282449891 809248871 /nfs/dbraw/zinc/24/88/71/809248871.db2.gz PKLFBZCSZKVXGR-UONOGXRCSA-N 1 1 268.445 3.214 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)C(C)=C1CCC1 ZINC001282667965 809258248 /nfs/dbraw/zinc/25/82/48/809258248.db2.gz SZXSKSRBNNCYAA-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO CCCCCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C=C(C)C)[C@@H]2C1 ZINC001282846253 809265469 /nfs/dbraw/zinc/26/54/69/809265469.db2.gz UJAWVIOKDKDHCS-OSYLJGHBSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)[C@@H](C)C2CCCC2)CC1 ZINC001283334461 809276359 /nfs/dbraw/zinc/27/63/59/809276359.db2.gz JTANIOVLDFWVOW-HNNXBMFYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)C(C)(C)CC=C)CC1 ZINC001283332103 809276616 /nfs/dbraw/zinc/27/66/16/809276616.db2.gz PRKQUTNYMNQUDD-UHFFFAOYSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@]12CCC[C@H]1[N@@H+](C(C)C)CC2 ZINC001284055394 809293959 /nfs/dbraw/zinc/29/39/59/809293959.db2.gz AXRKMYQMYGOHFM-SJLPKXTDSA-N 1 1 290.451 3.276 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)CCCC2CC2)[C@@H]1C ZINC001284128258 809297600 /nfs/dbraw/zinc/29/76/00/809297600.db2.gz AVQIPFKUVAJNHL-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO CCCCC[N@H+]1CCC[C@H](NC(=O)C#CC(C)(C)C)[C@H]1C ZINC001284130484 809297924 /nfs/dbraw/zinc/29/79/24/809297924.db2.gz WQUVYIBNZWCYIS-CVEARBPZSA-N 1 1 292.467 3.195 20 30 CGEDMO C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)/C=C(\C)CC)CC1 ZINC001284683992 809313925 /nfs/dbraw/zinc/31/39/25/809313925.db2.gz JCPLHMXFFWVRIX-IEZBTEQYSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCC1=CC[N@@H+](CCC(C)C)CC1 ZINC001284960583 809321331 /nfs/dbraw/zinc/32/13/31/809321331.db2.gz VYBHXNKDPSXTDH-SFHVURJKSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C(C)C[NH+]1C[C@@]2(C)CN(Cc3ccccc3)C[C@]2(C)C1 ZINC001175382655 809385764 /nfs/dbraw/zinc/38/57/64/809385764.db2.gz UCWOCSSZNNZYQZ-OALUTQOASA-N 1 1 284.447 3.407 20 30 CGEDMO C=C(C)CN1C[C@]2(C)C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC001175382654 809385938 /nfs/dbraw/zinc/38/59/38/809385938.db2.gz UCWOCSSZNNZYQZ-KDURUIRLSA-N 1 1 284.447 3.407 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@]2(C)CN(Cc3ccccc3)C[C@@]2(C)C1 ZINC001175382654 809385941 /nfs/dbraw/zinc/38/59/41/809385941.db2.gz UCWOCSSZNNZYQZ-KDURUIRLSA-N 1 1 284.447 3.407 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@]2(C)CN(Cc3ccccc3)C[C@@]2(C)C1 ZINC001175382654 809385946 /nfs/dbraw/zinc/38/59/46/809385946.db2.gz UCWOCSSZNNZYQZ-KDURUIRLSA-N 1 1 284.447 3.407 20 30 CGEDMO Cc1cc(C)c(Nc2sc3c(c2C#N)CC[N@H+](C)C3)cn1 ZINC001213505590 815292761 /nfs/dbraw/zinc/29/27/61/815292761.db2.gz IZZROWPCXYXBIL-UHFFFAOYSA-N 1 1 298.415 3.363 20 30 CGEDMO C=C(CC)C(=O)N[C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC001296778910 809508906 /nfs/dbraw/zinc/50/89/06/809508906.db2.gz JTDXIVNUAFSLDT-KRWDZBQOSA-N 1 1 288.435 3.225 20 30 CGEDMO CC#CC[N@H+]1CCC[C@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC001175802757 809547394 /nfs/dbraw/zinc/54/73/94/809547394.db2.gz YSOPOUOYLPFYGU-INIZCTEOSA-N 1 1 279.387 3.279 20 30 CGEDMO CC(C)(C)[C@@H]1CC[N@@H+](CCCC(C)(C)C#N)CCO1 ZINC001176996367 809773165 /nfs/dbraw/zinc/77/31/65/809773165.db2.gz UWAOXPFJKYQNRC-AWEZNQCLSA-N 1 1 266.429 3.453 20 30 CGEDMO C=CCOc1c(Cl)cc(C[NH2+][C@@H](C)CC#N)cc1OC ZINC001179478859 809923845 /nfs/dbraw/zinc/92/38/45/809923845.db2.gz HEABVVPWBNVNGX-NSHDSACASA-N 1 1 294.782 3.305 20 30 CGEDMO C[C@@H](CC#N)[NH2+]Cc1cccc(Oc2ccccn2)c1 ZINC001179479854 809924246 /nfs/dbraw/zinc/92/42/46/809924246.db2.gz WKTPXZOUKPAKNZ-ZDUSSCGKSA-N 1 1 267.332 3.266 20 30 CGEDMO C#CC[N@H+](Cc1cn(-c2cccc(F)c2)nc1C)CC1CC1 ZINC001180117135 809975405 /nfs/dbraw/zinc/97/54/05/809975405.db2.gz SCYDZAANXLPPJK-UHFFFAOYSA-N 1 1 297.377 3.165 20 30 CGEDMO C=CCC[C@H]([NH2+][C@H]1CCC[C@@H]1C(C)C)C(=O)OCC ZINC001181827414 810074838 /nfs/dbraw/zinc/07/48/38/810074838.db2.gz KZRBKBCSICGUSB-ILXRZTDVSA-N 1 1 267.413 3.299 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1C[C@H](C2CC2)[C@H]1C1CC1 ZINC001181869472 810077669 /nfs/dbraw/zinc/07/76/69/810077669.db2.gz CGXCRWPJCFJWQV-QZTJIDSGSA-N 1 1 251.373 3.159 20 30 CGEDMO C=C1CC=C(F)C=C1NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC001183756447 810159859 /nfs/dbraw/zinc/15/98/59/810159859.db2.gz GVZHAZVOYVUKMH-QGZVFWFLSA-N 1 1 298.361 3.074 20 30 CGEDMO C=C1CC=C(F)C=C1NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC001183756447 810159860 /nfs/dbraw/zinc/15/98/60/810159860.db2.gz GVZHAZVOYVUKMH-QGZVFWFLSA-N 1 1 298.361 3.074 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](C2CCN(C(C)=O)CC2)CC1 ZINC001186570327 810347253 /nfs/dbraw/zinc/34/72/53/810347253.db2.gz WNLBDEJHOUEFDE-QGZVFWFLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)CCC)C1 ZINC001188632932 810496948 /nfs/dbraw/zinc/49/69/48/810496948.db2.gz APPUTWGWZTUJHJ-HNNXBMFYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)c2cccc(C)c2)C1 ZINC001188711522 810505868 /nfs/dbraw/zinc/50/58/68/810505868.db2.gz ZKRRYRDIFUUKKZ-KRWDZBQOSA-N 1 1 286.419 3.108 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)CC2CCCCC2)C1 ZINC001188765712 810511501 /nfs/dbraw/zinc/51/15/01/810511501.db2.gz RBEIZUJYBIDKLN-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)CCCC)C1 ZINC001188935501 810524613 /nfs/dbraw/zinc/52/46/13/810524613.db2.gz TUXHDSDCDKLTQP-MRXNPFEDSA-N 1 1 280.456 3.456 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CSC(C)C)C1 ZINC001188965442 810528903 /nfs/dbraw/zinc/52/89/03/810528903.db2.gz GNHVTEGHTFXTLE-HUUCEWRRSA-N 1 1 298.496 3.015 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CCCCC(C)C)[C@@H]2C1 ZINC001189492585 810572141 /nfs/dbraw/zinc/57/21/41/810572141.db2.gz UFHURXKETLGARG-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)CC[C@@H](C)CC)[C@@H]2C1 ZINC001189514900 810575519 /nfs/dbraw/zinc/57/55/19/810575519.db2.gz SGXJLZSAGNYPRC-AEGPPILISA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@@H](C)CC)[C@@H]2C1 ZINC001189514900 810575524 /nfs/dbraw/zinc/57/55/24/810575524.db2.gz SGXJLZSAGNYPRC-AEGPPILISA-N 1 1 298.858 3.098 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C(F)=C(C)C)C1 ZINC001189619365 810582600 /nfs/dbraw/zinc/58/26/00/810582600.db2.gz BZPSRIBNPKHSNR-ZIAGYGMSSA-N 1 1 282.403 3.137 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)c2cc(C)c(C)o2)C1 ZINC001189652116 810584964 /nfs/dbraw/zinc/58/49/64/810584964.db2.gz NTGBXNXKBSUZEN-OAHLLOKOSA-N 1 1 290.407 3.009 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)CC(C)C)[C@@H]2C1 ZINC001189692242 810585723 /nfs/dbraw/zinc/58/57/23/810585723.db2.gz MSYHDMXTLYYBOL-YESZJQIVSA-N 1 1 292.467 3.168 20 30 CGEDMO C#CCCCCC(=O)N1CC[C@H]([N@H+](C)CC/C=C/CC)C1 ZINC001189744551 810587090 /nfs/dbraw/zinc/58/70/90/810587090.db2.gz VHGSFEWBMYBXCB-LKUPDRCFSA-N 1 1 290.451 3.069 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)C2(C)CC2)C1 ZINC001190278027 810617222 /nfs/dbraw/zinc/61/72/22/810617222.db2.gz FKWCLZDJEPXHOC-HNNXBMFYSA-N 1 1 280.456 3.290 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[C@H]([N@H+](C)C[C@@H](C)CC)C1 ZINC001190353932 810621787 /nfs/dbraw/zinc/62/17/87/810621787.db2.gz DWGHKIPGHIKMQD-RDJZCZTQSA-N 1 1 292.467 3.334 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)CCC[C@H](C)CCC)C1 ZINC001190369675 810624337 /nfs/dbraw/zinc/62/43/37/810624337.db2.gz FKHSZDNODUJVSY-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@H]([N@H+](C)C[C@H](C)CC)C1 ZINC001190388230 810624876 /nfs/dbraw/zinc/62/48/76/810624876.db2.gz LYCLJXUSUAOXSO-CABCVRRESA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@H]([N@H+](C)CC/C=C/CC)C1 ZINC001190397546 810625083 /nfs/dbraw/zinc/62/50/83/810625083.db2.gz LJXXNACEBHMHQH-FDMDGMSGSA-N 1 1 292.467 3.478 20 30 CGEDMO C#CC[N@H+](CCCc1cccnc1)Cc1ccc(F)cc1 ZINC001190708789 810644286 /nfs/dbraw/zinc/64/42/86/810644286.db2.gz VWCNRVVQMKMVQL-UHFFFAOYSA-N 1 1 282.362 3.289 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H]2C=CCCC2)C1 ZINC001190869034 810653733 /nfs/dbraw/zinc/65/37/33/810653733.db2.gz JCZBBEIKUFQWLL-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC23CC3)C1 ZINC001190910121 810655804 /nfs/dbraw/zinc/65/58/04/810655804.db2.gz HKAPIXILIPCNAM-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)C(CC)CC)C1 ZINC001191050280 810665967 /nfs/dbraw/zinc/66/59/67/810665967.db2.gz GBUWBRQGBKSLBM-GDBMZVCRSA-N 1 1 280.456 3.168 20 30 CGEDMO C[Si](C)(C[N@H+](CCC#N)Cc1ccco1)c1ccccc1 ZINC001191367672 810706408 /nfs/dbraw/zinc/70/64/08/810706408.db2.gz SFTHUJTZEDADQQ-UHFFFAOYSA-N 1 1 298.462 3.150 20 30 CGEDMO C[Si](C)(C[N@@H+](CCC#N)Cc1ccco1)c1ccccc1 ZINC001191367672 810706415 /nfs/dbraw/zinc/70/64/15/810706415.db2.gz SFTHUJTZEDADQQ-UHFFFAOYSA-N 1 1 298.462 3.150 20 30 CGEDMO C[C@@H](Cc1ccsc1)[N@@H+](C)Cc1cc(C#N)ccn1 ZINC001191410012 810711892 /nfs/dbraw/zinc/71/18/92/810711892.db2.gz ZJFBBLALOGCTJW-LBPRGKRZSA-N 1 1 271.389 3.078 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)CC2(C)CC2)C1 ZINC001191413374 810712188 /nfs/dbraw/zinc/71/21/88/810712188.db2.gz FCXSPRNSURFOSO-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C[C@H](Cc1cccs1)[N@@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC001191464938 810716730 /nfs/dbraw/zinc/71/67/30/810716730.db2.gz UINMMWUCVPZUMC-ZIAGYGMSSA-N 1 1 292.448 3.056 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C2(C3CC3)CCC2)C1 ZINC001191569010 810726583 /nfs/dbraw/zinc/72/65/83/810726583.db2.gz LTWXFABKUPLIKC-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)CCCCC)C1 ZINC001191684121 810730098 /nfs/dbraw/zinc/73/00/98/810730098.db2.gz OEBHMWLDHOFSDN-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CCCC2CC2)C1 ZINC001191890876 810754151 /nfs/dbraw/zinc/75/41/51/810754151.db2.gz VPIKRIQXDPCSRN-WBVHZDCISA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]([N@@H+](C)CCCCCF)C1 ZINC001191901026 810755869 /nfs/dbraw/zinc/75/58/69/810755869.db2.gz FMUVIRLJAKYFMW-CVEARBPZSA-N 1 1 298.446 3.261 20 30 CGEDMO C=CCCC1(C(=O)N2CC[C@H]([N@H+](C)CC[C@H](C)F)C2)CC1 ZINC001192205031 810775695 /nfs/dbraw/zinc/77/56/95/810775695.db2.gz BQTLJUWIWCKLAT-GJZGRUSLSA-N 1 1 296.430 3.014 20 30 CGEDMO Cc1ccc([NH+]=C(NO)c2ccccc2N)cc1OC(C)C ZINC001214337255 815396492 /nfs/dbraw/zinc/39/64/92/815396492.db2.gz ZDYLCNWYEIGCJV-UHFFFAOYSA-N 1 1 299.374 3.422 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)CCCCC)C2)CCC1 ZINC001192225722 810776794 /nfs/dbraw/zinc/77/67/94/810776794.db2.gz BCCYKRRMFSMBNK-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)C2(CF)CC2)C1 ZINC001192293063 810784425 /nfs/dbraw/zinc/78/44/25/810784425.db2.gz GDHDDAWGCDLKCB-HNNXBMFYSA-N 1 1 296.430 3.015 20 30 CGEDMO Cc1ccc(O)cc1Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001214339015 815397366 /nfs/dbraw/zinc/39/73/66/815397366.db2.gz MJLWLFYPRSLRLV-UHFFFAOYSA-N 1 1 299.399 3.365 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](C[C@@H]2CC3(CO2)CCCCC3)C1 ZINC001192499778 810804710 /nfs/dbraw/zinc/80/47/10/810804710.db2.gz FPHXOXBMZXFIKC-HOTGVXAUSA-N 1 1 279.424 3.003 20 30 CGEDMO C#CCC[N@H+](C)[C@H]1CCN(C(=O)CCCCCC(C)C)C1 ZINC001192704269 810817919 /nfs/dbraw/zinc/81/79/19/810817919.db2.gz JVHJDXZEQQDTHS-KRWDZBQOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC1(CC(=O)N2CC[C@H]([N@H+](C)CC)C2)CCCCC1 ZINC001192827191 810822573 /nfs/dbraw/zinc/82/25/73/810822573.db2.gz UUHJUUFDBRUKDB-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)c2csc(C)c2)C1 ZINC001192845409 810824380 /nfs/dbraw/zinc/82/43/80/810824380.db2.gz HRKNCMHGSANKLM-HNNXBMFYSA-N 1 1 292.448 3.169 20 30 CGEDMO C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)CCCCCC)C1 ZINC001192986067 810839553 /nfs/dbraw/zinc/83/95/53/810839553.db2.gz ALHMGFQBHJVVER-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO CCCCCCCC[N@H+]1C[C@H](SC)[C@@H](N(C)C)C1 ZINC001193020653 810841443 /nfs/dbraw/zinc/84/14/43/810841443.db2.gz CRGVLOLZEWRCBY-GJZGRUSLSA-N 1 1 272.502 3.324 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@@](OC)(C(F)(F)F)C1 ZINC001193459881 810890492 /nfs/dbraw/zinc/89/04/92/810890492.db2.gz HQHCXSAAIUZTAV-LBPRGKRZSA-N 1 1 265.319 3.386 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)CC(CC)CC)C1 ZINC001193076490 810851899 /nfs/dbraw/zinc/85/18/99/810851899.db2.gz BMHUGAASDQGRAC-AWEZNQCLSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)CC(CC)CC)C1 ZINC001193076490 810851907 /nfs/dbraw/zinc/85/19/07/810851907.db2.gz BMHUGAASDQGRAC-AWEZNQCLSA-N 1 1 286.847 3.098 20 30 CGEDMO C#CCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001193432030 810887370 /nfs/dbraw/zinc/88/73/70/810887370.db2.gz FFCDZGIMPIOIGL-JKSUJKDBSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)Cc1ccc(Cl)cc1F ZINC001193920303 810980630 /nfs/dbraw/zinc/98/06/30/810980630.db2.gz LXGBAICYHYEICX-UHFFFAOYSA-N 1 1 284.806 3.419 20 30 CGEDMO CCCCCCCOC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC001194005312 810999957 /nfs/dbraw/zinc/99/99/57/810999957.db2.gz NWWFPTGYAQUEHO-INIZCTEOSA-N 1 1 282.428 3.121 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)CCCCC)C1 ZINC001194174636 811028272 /nfs/dbraw/zinc/02/82/72/811028272.db2.gz WZWBNUVCFXFTAE-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)C2(CC)CCCCC2)C1 ZINC001194218951 811037568 /nfs/dbraw/zinc/03/75/68/811037568.db2.gz ZJTGHJBNMQLGTN-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)C(CC(C)C)CC(C)C)C1 ZINC001194335959 811054177 /nfs/dbraw/zinc/05/41/77/811054177.db2.gz DXUHHJITXHWGOE-KRWDZBQOSA-N 1 1 294.483 3.414 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccoc2C(C)C)C1 ZINC001194367671 811060674 /nfs/dbraw/zinc/06/06/74/811060674.db2.gz KHRFYZWRVOQUOL-CQSZACIVSA-N 1 1 290.407 3.125 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)c2cc(C)oc2C)CC1 ZINC001194802953 811139710 /nfs/dbraw/zinc/13/97/10/811139710.db2.gz URKXLLRLKPGNCQ-UHFFFAOYSA-N 1 1 290.407 3.011 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@H](C)CCC)CC1 ZINC001195383919 811248971 /nfs/dbraw/zinc/24/89/71/811248971.db2.gz SEUZZARNNKJROG-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC001195568977 811267648 /nfs/dbraw/zinc/26/76/48/811267648.db2.gz UEKAABZKHIVARK-NSHDSACASA-N 1 1 251.732 3.324 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC001195568977 811267653 /nfs/dbraw/zinc/26/76/53/811267653.db2.gz UEKAABZKHIVARK-NSHDSACASA-N 1 1 251.732 3.324 20 30 CGEDMO C#CCCCC(=O)N1CCC[N@H+](C[C@H](C)CC(C)C)CC1 ZINC001195675263 811277747 /nfs/dbraw/zinc/27/77/47/811277747.db2.gz VEZIITWXSRGBKS-QGZVFWFLSA-N 1 1 292.467 3.006 20 30 CGEDMO CCC(CC)C[N@H+]1CCCN(C(=O)C#CC(C)(C)C)CC1 ZINC001195785522 811291135 /nfs/dbraw/zinc/29/11/35/811291135.db2.gz NVHGZZKMHRIFOH-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)C[C@H]2CCC[C@@H]2C)CC1 ZINC001195915265 811301504 /nfs/dbraw/zinc/30/15/04/811301504.db2.gz NZTKFMFPLFNEGP-DLBZAZTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C/C=C(\C)C=C)CC1 ZINC001196822862 811370277 /nfs/dbraw/zinc/37/02/77/811370277.db2.gz DPHRQKOPFNHMAM-BRVCPTFNSA-N 1 1 290.451 3.398 20 30 CGEDMO C=CC[C@@H](C(=O)OC)[N@@H+](C)C[C@H](C)C1CCCCC1 ZINC001196818025 811370781 /nfs/dbraw/zinc/37/07/81/811370781.db2.gz CSVWGVIYJPTPRR-ZFWWWQNUSA-N 1 1 267.413 3.252 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)CCCC2CC2)CC1 ZINC001196862855 811376542 /nfs/dbraw/zinc/37/65/42/811376542.db2.gz YKERAUPKOFTFJJ-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCCCC(=O)N1CCC[N@H+]([C@@H](C)CCC=C)CC1 ZINC001196993315 811389387 /nfs/dbraw/zinc/38/93/87/811389387.db2.gz LWHBQVVFQCVMFA-INIZCTEOSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCCC1(C(=O)N2CCC[N@H+](CC[C@@H](C)F)CC2)CC1 ZINC001197062584 811393858 /nfs/dbraw/zinc/39/38/58/811393858.db2.gz UASCVJDNPBCGMG-OAHLLOKOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC1(C(=O)N2CCC[N@H+](CC=C(C)C)CC2)CCC1 ZINC001197077424 811395791 /nfs/dbraw/zinc/39/57/91/811395791.db2.gz SGWYLZUGVFBVLO-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[N@H+](CC/C=C/CC)CC2)C1 ZINC001197102630 811398906 /nfs/dbraw/zinc/39/89/06/811398906.db2.gz UVKHUXIXHKIAFW-AATRIKPKSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)C[C@@H](C)CC(C)(C)C)CC1 ZINC001197262552 811407604 /nfs/dbraw/zinc/40/76/04/811407604.db2.gz NFCMBNWKGYWOQZ-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)[C@@H](CCC)C(C)C)CC1 ZINC001197307882 811413182 /nfs/dbraw/zinc/41/31/82/811413182.db2.gz IRIMDZDBCWXARF-INIZCTEOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)CN1CC[NH+]([C@H](CC)c2ccc(F)cc2)CC1 ZINC001197522935 811426709 /nfs/dbraw/zinc/42/67/09/811426709.db2.gz CVDHHLZZENRYTB-QGZVFWFLSA-N 1 1 276.399 3.471 20 30 CGEDMO CCOC(=O)[C@H](CC1CC1)[NH2+]CCCCC(C)(C)C#N ZINC001197535258 811427886 /nfs/dbraw/zinc/42/78/86/811427886.db2.gz ZAPIAGPEXQILJC-AWEZNQCLSA-N 1 1 280.412 3.028 20 30 CGEDMO C#CC[C@@H]1CC[N@H+]([C@@H](CC)C(=O)Nc2ccc(C)cc2)C1 ZINC001197701607 811447319 /nfs/dbraw/zinc/44/73/19/811447319.db2.gz MAYJSMCLTRGHQH-WBVHZDCISA-N 1 1 284.403 3.057 20 30 CGEDMO C[C@H]1Cc2n[nH]cc2C[N@H+](CCC2(C#N)CCCCC2)C1 ZINC001197785304 811452481 /nfs/dbraw/zinc/45/24/81/811452481.db2.gz CNPMJRDZECYULW-AWEZNQCLSA-N 1 1 286.423 3.268 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)C[C@H](CC)C(C)C)CC1 ZINC001197879644 811459804 /nfs/dbraw/zinc/45/98/04/811459804.db2.gz KSZZMRVYQXJUHP-INIZCTEOSA-N 1 1 280.456 3.169 20 30 CGEDMO C[N@@H+](CC[C@@H]1C[C@H]1C1CC1)Cc1cc(C#N)cs1 ZINC001198195217 811483387 /nfs/dbraw/zinc/48/33/87/811483387.db2.gz UMFQHRZPXNVGCA-HIFRSBDPSA-N 1 1 260.406 3.488 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@]2(C=Cc3ccccc3O2)C1 ZINC001198243994 811488525 /nfs/dbraw/zinc/48/85/25/811488525.db2.gz XSMFHWBLFAIGCM-PKOBYXMFSA-N 1 1 299.414 3.254 20 30 CGEDMO C#C[C@H]1CCCC[N@@H+]1Cc1ccc(C(=O)OC(C)C)cc1 ZINC001198524091 811511533 /nfs/dbraw/zinc/51/15/33/811511533.db2.gz CSKFYAIADUUWCG-KRWDZBQOSA-N 1 1 285.387 3.240 20 30 CGEDMO C=C(Br)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001200243470 811651762 /nfs/dbraw/zinc/65/17/62/811651762.db2.gz IOSQNFLPPQJARX-UHFFFAOYSA-N 1 1 299.168 3.210 20 30 CGEDMO C=C(Cl)CNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC001200704973 811737984 /nfs/dbraw/zinc/73/79/84/811737984.db2.gz YKNHDJOQWIIILJ-UHFFFAOYSA-N 1 1 294.826 3.003 20 30 CGEDMO COc1ccc(Nc2ccc3c(c2)C[N@H+](C)CC3)cc1C#N ZINC001215006741 815476462 /nfs/dbraw/zinc/47/64/62/815476462.db2.gz SFFXDYLHZUWNGW-UHFFFAOYSA-N 1 1 293.370 3.298 20 30 CGEDMO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](CC(C)(C)C)C2)C1 ZINC001201426561 811840773 /nfs/dbraw/zinc/84/07/73/811840773.db2.gz LGJHFOKSSSGFJA-QGZVFWFLSA-N 1 1 294.439 3.143 20 30 CGEDMO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](CC(C)(C)C)C2 ZINC001201434403 811844021 /nfs/dbraw/zinc/84/40/21/811844021.db2.gz JHCLNAZFUSZASP-RDJZCZTQSA-N 1 1 281.440 3.106 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](CC(C)(C)C)[C@H]2CC ZINC001201434170 811845476 /nfs/dbraw/zinc/84/54/76/811845476.db2.gz DPXXDMGPZMURLO-YJBOKZPZSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+](CCC(C)C)C2 ZINC001201614335 811921586 /nfs/dbraw/zinc/92/15/86/811921586.db2.gz JJPCHJUWSVIPLY-QGZVFWFLSA-N 1 1 278.440 3.066 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCc1ccccc1 ZINC001201673843 811934152 /nfs/dbraw/zinc/93/41/52/811934152.db2.gz QSVBVJTXPSDNNL-OSYLJGHBSA-N 1 1 254.377 3.386 20 30 CGEDMO C=CCOC(=O)N1CCC2(CCC[N@H+](CCCC)C2)CC1 ZINC001201700520 811940612 /nfs/dbraw/zinc/94/06/12/811940612.db2.gz MSYGWKWOEKRYKN-UHFFFAOYSA-N 1 1 294.439 3.287 20 30 CGEDMO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](CCCCC)C2)C1 ZINC001201725925 811948678 /nfs/dbraw/zinc/94/86/78/811948678.db2.gz WEBOMMOARLJMOP-QGZVFWFLSA-N 1 1 294.439 3.287 20 30 CGEDMO CCCCCCC[N@@H+]1Cc2ccnn2C[C@H](COCC)C1 ZINC001201776373 811965074 /nfs/dbraw/zinc/96/50/74/811965074.db2.gz CYWRUDVILOFLLB-MRXNPFEDSA-N 1 1 293.455 3.322 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@]2(CCCC(=O)N2)C1 ZINC001201776545 811965243 /nfs/dbraw/zinc/96/52/43/811965243.db2.gz FJLPIBVAWAIMDP-INIZCTEOSA-N 1 1 266.429 3.092 20 30 CGEDMO C#Cc1cccc(C[NH2+]Cc2c(OC)cc(F)cc2OC)c1 ZINC001202813075 812179688 /nfs/dbraw/zinc/17/96/88/812179688.db2.gz QQPXCPBYAOEPRY-UHFFFAOYSA-N 1 1 299.345 3.114 20 30 CGEDMO C=CCCCC[N@H+](C)CCN(C)C(=O)OC(C)(C)C ZINC001203000795 812215542 /nfs/dbraw/zinc/21/55/42/812215542.db2.gz KFMURHKPKPVJHM-UHFFFAOYSA-N 1 1 270.417 3.141 20 30 CGEDMO N#Cc1ccc2c(c1)CC[N@@H+](Cc1cccc(F)c1)C2 ZINC001203784297 812461558 /nfs/dbraw/zinc/46/15/58/812461558.db2.gz SOHJTMVVKBCSDD-UHFFFAOYSA-N 1 1 266.319 3.256 20 30 CGEDMO N#Cc1ccc2c(c1)CC[N@H+](Cc1cccc(F)c1)C2 ZINC001203784297 812461563 /nfs/dbraw/zinc/46/15/63/812461563.db2.gz SOHJTMVVKBCSDD-UHFFFAOYSA-N 1 1 266.319 3.256 20 30 CGEDMO CN(C)c1ccc(C[N@H+]2CCc3cc(C#N)ccc3C2)cc1 ZINC001203931789 812494065 /nfs/dbraw/zinc/49/40/65/812494065.db2.gz WFMBKGKAJZCFFK-UHFFFAOYSA-N 1 1 291.398 3.183 20 30 CGEDMO CNc1ccc(C)cc1C[NH2+]CC1(C#N)CCCC1 ZINC001204019739 812522814 /nfs/dbraw/zinc/52/28/14/812522814.db2.gz AAXHNVIFFPDJGN-UHFFFAOYSA-N 1 1 257.381 3.210 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC(C)(C)C[C@@]2(C)CO)cc1 ZINC001204298302 812604984 /nfs/dbraw/zinc/60/49/84/812604984.db2.gz ZKKXHVAZNTUCAB-SFHVURJKSA-N 1 1 289.419 3.234 20 30 CGEDMO CCOC[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1C#N)C2 ZINC001204368055 812622514 /nfs/dbraw/zinc/62/25/14/812622514.db2.gz SJLWIZVMQAAPRE-MSOLQXFVSA-N 1 1 284.403 3.197 20 30 CGEDMO Cc1cc(C[NH+]2CCN(c3cccc(C#N)c3)CC2)oc1C ZINC001204538997 812671976 /nfs/dbraw/zinc/67/19/76/812671976.db2.gz IYFXQQNIEBOYHF-UHFFFAOYSA-N 1 1 295.386 3.090 20 30 CGEDMO C#CC[N@@H+](CC#CC)Cc1ccccc1CC(F)(F)F ZINC001204776253 812733578 /nfs/dbraw/zinc/73/35/78/812733578.db2.gz MDASPCCPZPUROI-UHFFFAOYSA-N 1 1 279.305 3.250 20 30 CGEDMO C#CC[N@H+](CC#CC)Cc1ccccc1CC(F)(F)F ZINC001204776253 812733585 /nfs/dbraw/zinc/73/35/85/812733585.db2.gz MDASPCCPZPUROI-UHFFFAOYSA-N 1 1 279.305 3.250 20 30 CGEDMO C#CC[N@@H+](CC#CC)Cc1cccc(CC2CCC2)c1 ZINC001204777622 812734091 /nfs/dbraw/zinc/73/40/91/812734091.db2.gz WRWOCJDEPOIDIU-UHFFFAOYSA-N 1 1 265.400 3.488 20 30 CGEDMO C#CC[N@H+](CC#CC)Cc1cccc(CC2CCC2)c1 ZINC001204777622 812734095 /nfs/dbraw/zinc/73/40/95/812734095.db2.gz WRWOCJDEPOIDIU-UHFFFAOYSA-N 1 1 265.400 3.488 20 30 CGEDMO C=C(C)COc1ccccc1CN1CCC[C@](C)([NH3+])CC1 ZINC001205266956 812923340 /nfs/dbraw/zinc/92/33/40/812923340.db2.gz YUGWXITWVZZGJE-SFHVURJKSA-N 1 1 288.435 3.345 20 30 CGEDMO N#CCCO[C@H]1CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001205622050 813030380 /nfs/dbraw/zinc/03/03/80/813030380.db2.gz PFGREABGOWFKMV-LBPRGKRZSA-N 1 1 299.201 3.498 20 30 CGEDMO N#CCCO[C@H]1CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001205622050 813030390 /nfs/dbraw/zinc/03/03/90/813030390.db2.gz PFGREABGOWFKMV-LBPRGKRZSA-N 1 1 299.201 3.498 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2sccc2C)C1 ZINC001205740685 813065627 /nfs/dbraw/zinc/06/56/27/813065627.db2.gz SKNMSHUHQYBBTP-ZIAGYGMSSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)CO[C@@H]1CCC[N@H+]([C@@H](C)c2ccccn2)C1 ZINC001206750395 813419953 /nfs/dbraw/zinc/41/99/53/813419953.db2.gz HZTAVTSHZKHILA-LSDHHAIUSA-N 1 1 260.381 3.200 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C2CC2)C1 ZINC001206765920 813429336 /nfs/dbraw/zinc/42/93/36/813429336.db2.gz FYGWBYACLQYKNI-HLLBOEOZSA-N 1 1 292.467 3.215 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccc(F)cc3)on2)C1 ZINC001206837193 813449200 /nfs/dbraw/zinc/44/92/00/813449200.db2.gz XVHWGMVMPOLCIG-CYBMUJFWSA-N 1 1 284.334 3.326 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(-c3ccc(F)cc3)on2)C1 ZINC001206837193 813449204 /nfs/dbraw/zinc/44/92/04/813449204.db2.gz XVHWGMVMPOLCIG-CYBMUJFWSA-N 1 1 284.334 3.326 20 30 CGEDMO Cn1cc(C[N@@H+](Cc2ccccc2)C2CCC2)cc1C#N ZINC001207110700 813486992 /nfs/dbraw/zinc/48/69/92/813486992.db2.gz RYMNCGDFCLJUIF-UHFFFAOYSA-N 1 1 279.387 3.451 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(CC=C)CC=C)C1 ZINC001207107571 813487917 /nfs/dbraw/zinc/48/79/17/813487917.db2.gz MIUAAUJFVIJTJO-NVXWUHKLSA-N 1 1 290.451 3.158 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1C[N@H+](CCCC2CCC2)C[C@H]1C ZINC001207215232 813516965 /nfs/dbraw/zinc/51/69/65/813516965.db2.gz DMNSAVBJBGZCPZ-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO O=C1C=C2C[N@H+](CCC3CCCCC3)CCC2S1 ZINC001207257269 813521358 /nfs/dbraw/zinc/52/13/58/813521358.db2.gz TUCVNZBDLXWPTC-AWEZNQCLSA-N 1 1 265.422 3.231 20 30 CGEDMO C=CCC[C@@H](CC)[NH2+][C@H](CC(=C)C)C(=O)OCC ZINC001207334670 813543225 /nfs/dbraw/zinc/54/32/25/813543225.db2.gz SRFPQVSNRMMSEE-ZIAGYGMSSA-N 1 1 253.386 3.219 20 30 CGEDMO N#CCC[N@@H+](Cc1cccnc1)C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207616193 813617097 /nfs/dbraw/zinc/61/70/97/813617097.db2.gz UMQYGEOJFBWBFB-USXIJHARSA-N 1 1 267.376 3.009 20 30 CGEDMO N#CCC[N@H+](Cc1cccnc1)C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207616193 813617102 /nfs/dbraw/zinc/61/71/02/813617102.db2.gz UMQYGEOJFBWBFB-USXIJHARSA-N 1 1 267.376 3.009 20 30 CGEDMO CC[N@@H+](CCC#N)CC[C@@H](C)CCCC(C)(C)O ZINC001207671293 813630770 /nfs/dbraw/zinc/63/07/70/813630770.db2.gz VMMRFGAMUQTHFW-AWEZNQCLSA-N 1 1 254.418 3.189 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C(C)(C)C)C1 ZINC001207716182 813639882 /nfs/dbraw/zinc/63/98/82/813639882.db2.gz CPKQVGQJCSXLAM-QLFBSQMISA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCCCCCCCCC[N@H+](C)CC(=O)NCC ZINC001207896774 813667622 /nfs/dbraw/zinc/66/76/22/813667622.db2.gz VCLOAJNOUJRPSN-UHFFFAOYSA-N 1 1 268.445 3.361 20 30 CGEDMO C=CCCCCCCCCCN1CC[NH+](CCCO)CC1 ZINC001207899162 813667692 /nfs/dbraw/zinc/66/76/92/813667692.db2.gz OLJKEYAMTXQSGU-UHFFFAOYSA-N 1 1 296.499 3.293 20 30 CGEDMO C[C@@H](C[NH+]1CC(Oc2ccccc2C#N)C1)c1ccccc1 ZINC001207914489 813671312 /nfs/dbraw/zinc/67/13/12/813671312.db2.gz VRMNIIQCPWENDR-HNNXBMFYSA-N 1 1 292.382 3.425 20 30 CGEDMO CCCCCCC/C=C/C[N@@H+]1CCN(C(C)=O)[C@@H](C)C1 ZINC001208124123 813697736 /nfs/dbraw/zinc/69/77/36/813697736.db2.gz KUAILTUOGLHNQP-OFAQMXQXSA-N 1 1 280.456 3.456 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CCN(C(C)=O)[C@@H](C)C1 ZINC001208124123 813697740 /nfs/dbraw/zinc/69/77/40/813697740.db2.gz KUAILTUOGLHNQP-OFAQMXQXSA-N 1 1 280.456 3.456 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CCCO[C@@H](C(=O)OC)C1 ZINC001208124121 813698593 /nfs/dbraw/zinc/69/85/93/813698593.db2.gz KPRMZIOOLYHJCJ-ZNFPLGDCSA-N 1 1 297.439 3.167 20 30 CGEDMO C=CCN1CC[C@@]2(CCC[N@H+](CCC/C=C\CC)C2)C1=O ZINC001208135236 813701596 /nfs/dbraw/zinc/70/15/96/813701596.db2.gz DJFQUWSZMVUNTQ-OOFWQKGWSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[NH+]2C[C@H]3C[N@@H+](CC)C[C@H]3C2)CC1 ZINC001208179053 813730764 /nfs/dbraw/zinc/73/07/64/813730764.db2.gz KNFKDEDWJVVMNY-KURKYZTESA-N 1 1 274.452 3.173 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H]3C[NH+](CC)C[C@H]3C2)CC1 ZINC001208179053 813730767 /nfs/dbraw/zinc/73/07/67/813730767.db2.gz KNFKDEDWJVVMNY-KURKYZTESA-N 1 1 274.452 3.173 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@H]3C[NH+](CC)C[C@H]3C2)CC1 ZINC001208179053 813730769 /nfs/dbraw/zinc/73/07/69/813730769.db2.gz KNFKDEDWJVVMNY-KURKYZTESA-N 1 1 274.452 3.173 20 30 CGEDMO C=C(C)[C@@H]1CC=C(CN2C[C@@H]3C[N@H+](CC)C[C@@H]3C2)CC1 ZINC001208179053 813730772 /nfs/dbraw/zinc/73/07/72/813730772.db2.gz KNFKDEDWJVVMNY-KURKYZTESA-N 1 1 274.452 3.173 20 30 CGEDMO C=C(C)[C@@H]1CC=C(CN2C[C@@H]3C[N@@H+](CC)C[C@@H]3C2)CC1 ZINC001208179053 813730775 /nfs/dbraw/zinc/73/07/75/813730775.db2.gz KNFKDEDWJVVMNY-KURKYZTESA-N 1 1 274.452 3.173 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C(C)(C)C)C1 ZINC001208324126 813754869 /nfs/dbraw/zinc/75/48/69/813754869.db2.gz DXEIDODEDLWAHL-HUUCEWRRSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CC/C=C\CC)C[C@H]1C ZINC001208511839 813765667 /nfs/dbraw/zinc/76/56/67/813765667.db2.gz LTBYOWFAVGWGMI-DWQGIKRDSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCOCc1ncn2c1C[N@@H+](CC/C=C\CC)CCC2 ZINC001208728214 813818180 /nfs/dbraw/zinc/81/81/80/813818180.db2.gz ZSBWIYHFETWOCG-WAYWQWQTSA-N 1 1 289.423 3.148 20 30 CGEDMO C[N@H+](CCCc1cccc(C#N)c1)CC(=O)c1ccccc1 ZINC001208851119 813865991 /nfs/dbraw/zinc/86/59/91/813865991.db2.gz RCZDMFJFIGHHED-UHFFFAOYSA-N 1 1 292.382 3.306 20 30 CGEDMO C[N@@H+](CCCc1cccc(C#N)c1)CC(=O)c1ccccc1 ZINC001208851119 813866000 /nfs/dbraw/zinc/86/60/00/813866000.db2.gz RCZDMFJFIGHHED-UHFFFAOYSA-N 1 1 292.382 3.306 20 30 CGEDMO N#Cc1cccc(CCC[N@H+]2CCC[C@@H]2c2cnccn2)c1 ZINC001208853845 813866178 /nfs/dbraw/zinc/86/61/78/813866178.db2.gz YTEFDJLKDQFOAV-GOSISDBHSA-N 1 1 292.386 3.118 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](CCCc2cccc(C#N)c2)C1 ZINC001208853515 813866425 /nfs/dbraw/zinc/86/64/25/813866425.db2.gz OWOAJFPYSSIQPG-MRXNPFEDSA-N 1 1 267.376 3.117 20 30 CGEDMO N#Cc1cccc(CCC[N@@H+]2CC[C@@H](N3CCCCC3)C2)c1 ZINC001208853526 813866755 /nfs/dbraw/zinc/86/67/55/813866755.db2.gz PHHSHNFGKWNHDX-LJQANCHMSA-N 1 1 297.446 3.051 20 30 CGEDMO N#Cc1cccc(CCC[N@H+]2CC[C@@H](N3CCCCC3)C2)c1 ZINC001208853526 813866765 /nfs/dbraw/zinc/86/67/65/813866765.db2.gz PHHSHNFGKWNHDX-LJQANCHMSA-N 1 1 297.446 3.051 20 30 CGEDMO N#Cc1ccc(CCC[N@@H+]2CCC(F)(F)[C@H](F)C2)cc1 ZINC001208856065 813868574 /nfs/dbraw/zinc/86/85/74/813868574.db2.gz KCZQRQBKUKSXRQ-CQSZACIVSA-N 1 1 282.309 3.170 20 30 CGEDMO N#Cc1ccc(CCC[N@H+]2CCC(F)(F)[C@H](F)C2)cc1 ZINC001208856065 813868587 /nfs/dbraw/zinc/86/85/87/813868587.db2.gz KCZQRQBKUKSXRQ-CQSZACIVSA-N 1 1 282.309 3.170 20 30 CGEDMO C[N@@H+]1CC=C(Nc2cc(C#N)ccc2C(F)(F)F)CC1 ZINC001208910196 813898003 /nfs/dbraw/zinc/89/80/03/813898003.db2.gz LJVZQTCLEGQLOY-UHFFFAOYSA-N 1 1 281.281 3.208 20 30 CGEDMO CCC(=O)C(C)(C)C[N@@H+](CCC#N)C1CCCC1 ZINC001208916564 813900142 /nfs/dbraw/zinc/90/01/42/813900142.db2.gz MQUXPWPDRITOJB-UHFFFAOYSA-N 1 1 250.386 3.150 20 30 CGEDMO C=CCN(CC[N@H+]1CCC[C@@H]2CCCC[C@@H]21)C(=O)OCC ZINC001209021979 813916982 /nfs/dbraw/zinc/91/69/82/813916982.db2.gz HFRXPLWUTHXBOF-HOTGVXAUSA-N 1 1 294.439 3.286 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CCC)C(C)C)C1 ZINC001209038092 813920689 /nfs/dbraw/zinc/92/06/89/813920689.db2.gz IXOIHHMXCNSTCR-OWCLPIDISA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@]2(CC(=O)N(c3cccc(C)c3)C2)C1 ZINC001209161505 813951484 /nfs/dbraw/zinc/95/14/84/813951484.db2.gz LYLOGJHQOMCOIO-LJQANCHMSA-N 1 1 298.430 3.390 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@H](OC(=O)OC(C)(C)C)C1 ZINC001209200067 813964816 /nfs/dbraw/zinc/96/48/16/813964816.db2.gz AVVFSDODCOLIEV-ZDUSSCGKSA-N 1 1 269.385 3.369 20 30 CGEDMO C=CCCCC[N@H+]1Cc2cnn(CC)c2[C@@H](COCC)C1 ZINC001209200822 813964944 /nfs/dbraw/zinc/96/49/44/813964944.db2.gz PHJZWIBTTCLFFO-MRXNPFEDSA-N 1 1 291.439 3.195 20 30 CGEDMO C=CCCCC[N@H+](CCC(=O)OC)Cc1ccco1 ZINC001209202772 813966478 /nfs/dbraw/zinc/96/64/78/813966478.db2.gz PSINIORPQUMHNQ-UHFFFAOYSA-N 1 1 265.353 3.001 20 30 CGEDMO C=CCCCC[N@@H+]1Cc2cccc(C(=O)OC)c2C1 ZINC001209205321 813967142 /nfs/dbraw/zinc/96/71/42/813967142.db2.gz VKAFQLGXADNCNX-UHFFFAOYSA-N 1 1 259.349 3.145 20 30 CGEDMO C=CCCCC[N@H+]1Cc2cccc(C(=O)OC)c2C1 ZINC001209205321 813967147 /nfs/dbraw/zinc/96/71/47/813967147.db2.gz VKAFQLGXADNCNX-UHFFFAOYSA-N 1 1 259.349 3.145 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@@H](Oc2ccc(OC)cn2)C1 ZINC001209208189 813967891 /nfs/dbraw/zinc/96/78/91/813967891.db2.gz LZAHAHLUEVLCSR-MRXNPFEDSA-N 1 1 290.407 3.290 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](CCCCOCc2ccccc2)C1 ZINC001209265041 813987468 /nfs/dbraw/zinc/98/74/68/813987468.db2.gz IVWRETUAVOQLBO-QGZVFWFLSA-N 1 1 272.392 3.219 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1Cc2ccccc2C1 ZINC001209321629 813999212 /nfs/dbraw/zinc/99/92/12/813999212.db2.gz GVAXZAFHFXLBSJ-WVJCCSTMSA-N 1 1 266.388 3.168 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](C(F)(F)F)[C@H]1CO ZINC001209423119 814026741 /nfs/dbraw/zinc/02/67/41/814026741.db2.gz GBQHMNXRQSVMDQ-CHWSQXEVSA-N 1 1 279.346 3.368 20 30 CGEDMO C=CCCCCC[N@H+](CCC(=O)OC)Cc1ccco1 ZINC001209427617 814028574 /nfs/dbraw/zinc/02/85/74/814028574.db2.gz VPPNPOLZBYWZPC-UHFFFAOYSA-N 1 1 279.380 3.391 20 30 CGEDMO C=CCCCCC[N@@H+]1CCO[C@@H](c2ccncc2)C1 ZINC001209429248 814029537 /nfs/dbraw/zinc/02/95/37/814029537.db2.gz XEJVSPXOGGPITM-MRXNPFEDSA-N 1 1 260.381 3.201 20 30 CGEDMO C=CCCCCC[N@H+]1CCO[C@@H](c2ccncc2)C1 ZINC001209429248 814029541 /nfs/dbraw/zinc/02/95/41/814029541.db2.gz XEJVSPXOGGPITM-MRXNPFEDSA-N 1 1 260.381 3.201 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](Oc2ccnc(OC)c2)C1 ZINC001209432406 814033809 /nfs/dbraw/zinc/03/38/09/814033809.db2.gz DVMUMEMHRYKUPH-MRXNPFEDSA-N 1 1 290.407 3.290 20 30 CGEDMO C=CCCCCCC[N@@H+]1C[C@H](C)C[C@@H](C(=O)OC)C1 ZINC001209436411 814037065 /nfs/dbraw/zinc/03/70/65/814037065.db2.gz QTLGDUIZJSEYFN-HUUCEWRRSA-N 1 1 267.413 3.254 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CCC[C@@H](C(=O)N(C)C)C1 ZINC001209439072 814039816 /nfs/dbraw/zinc/03/98/16/814039816.db2.gz HZASNAAXPQOEOG-MRXNPFEDSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCCCCCCCC[N@H+]1CCn2nncc2C1 ZINC001209445044 814044979 /nfs/dbraw/zinc/04/49/79/814044979.db2.gz DMDMTYDPCLGJPB-UHFFFAOYSA-N 1 1 262.401 3.010 20 30 CGEDMO C=CCCCCCCCC[NH+]1CCN(CC(C)(C)O)CC1 ZINC001209445324 814045754 /nfs/dbraw/zinc/04/57/54/814045754.db2.gz IOWZVHXTZQPVME-UHFFFAOYSA-N 1 1 296.499 3.292 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)CC(C)C)C1 ZINC001210110844 814295133 /nfs/dbraw/zinc/29/51/33/814295133.db2.gz FYIAXFHEXAGMKJ-BRWVUGGUSA-N 1 1 294.483 3.461 20 30 CGEDMO Cc1cccc2[nH+]cc(Nc3ccc(F)cc3C#N)n21 ZINC001210551123 814521188 /nfs/dbraw/zinc/52/11/88/814521188.db2.gz NOODPGLLMFVWOI-UHFFFAOYSA-N 1 1 266.279 3.397 20 30 CGEDMO C=CCCCCCCCC[N@H+]1CCNC[C@H](F)C1 ZINC001210580516 814540378 /nfs/dbraw/zinc/54/03/78/814540378.db2.gz JSGOLFCFTBUHFE-HNNXBMFYSA-N 1 1 256.409 3.146 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CCNC[C@H](F)C1 ZINC001210580516 814540381 /nfs/dbraw/zinc/54/03/81/814540381.db2.gz JSGOLFCFTBUHFE-HNNXBMFYSA-N 1 1 256.409 3.146 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)C(C)(C)C)C1 ZINC001210619816 814559606 /nfs/dbraw/zinc/55/96/06/814559606.db2.gz HYADNGLKQJDWNW-OWCLPIDISA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC2CCCCC2)C1 ZINC001210757248 814612907 /nfs/dbraw/zinc/61/29/07/814612907.db2.gz JPFBVJPPTOFRIK-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CCC)CC(C)C)C1 ZINC001211406031 814889378 /nfs/dbraw/zinc/88/93/78/814889378.db2.gz IKPIMHMKAHWREE-IXDOHACOSA-N 1 1 294.483 3.461 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nnc(Cc2ccc(Cl)cc2)o1 ZINC001217757374 815954796 /nfs/dbraw/zinc/95/47/96/815954796.db2.gz LCQBSNDZNFQNHH-ZDUSSCGKSA-N 1 1 289.766 3.117 20 30 CGEDMO CCCCCCCCCCO[C@@H]1CC[NH2+]CC(=O)C1 ZINC001217829217 815971566 /nfs/dbraw/zinc/97/15/66/815971566.db2.gz XNCNESIHNHXJPT-MRXNPFEDSA-N 1 1 269.429 3.465 20 30 CGEDMO CCCCCCC[C@@H](C)OCCCC[C@@H]([NH3+])C(=O)OC ZINC001217840567 815974913 /nfs/dbraw/zinc/97/49/13/815974913.db2.gz FYJDMHRPIRABGS-HUUCEWRRSA-N 1 1 287.444 3.423 20 30 CGEDMO C=CC[C@H](CCCC)Oc1ccc(C(=O)C[NH3+])cc1 ZINC001218439992 816214210 /nfs/dbraw/zinc/21/42/10/816214210.db2.gz YJPGMVBINLFYRT-CQSZACIVSA-N 1 1 261.365 3.342 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)CCC)[C@@H]2C1 ZINC001221430990 816314812 /nfs/dbraw/zinc/31/48/12/816314812.db2.gz WFBNEHZLKBNTPD-GVDBMIGSSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC3CCC3)[C@@H]2C1 ZINC001221466557 816315781 /nfs/dbraw/zinc/31/57/81/816315781.db2.gz PRONFEXOHZETLX-DJIMGWMZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CCC(=O)N1C[C@H]2CC[N@H+](CCCCCC)C[C@H]21 ZINC001221585044 816320383 /nfs/dbraw/zinc/32/03/83/816320383.db2.gz QAZNSYOHUFTGJG-IAGOWNOFSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@](C)(F)CCCC)[C@@H]2C1 ZINC001221661104 816323761 /nfs/dbraw/zinc/32/37/61/816323761.db2.gz LORKWERFKRFUMO-BFYDXBDKSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C(CC)CC)[C@@H]2C1 ZINC001221660821 816324295 /nfs/dbraw/zinc/32/42/95/816324295.db2.gz BYMZGEFNSYXVSG-USXIJHARSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C/C=C(\C)C=C)[C@@H]2C1 ZINC001221748534 816325423 /nfs/dbraw/zinc/32/54/23/816325423.db2.gz YQVBKNIAPIJOMO-DWDUUHQUSA-N 1 1 288.435 3.008 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)CCCCCC)[C@@H]2C1 ZINC001221883646 816331935 /nfs/dbraw/zinc/33/19/35/816331935.db2.gz ORGZUGYQHFIGSG-GVDBMIGSSA-N 1 1 292.467 3.312 20 30 CGEDMO CCCCCCC/C=C/CN1CCOC2(CC[NH2+]CC2)C1 ZINC001222181680 816368900 /nfs/dbraw/zinc/36/89/00/816368900.db2.gz UIQHRZINCLOVFR-CMDGGOBGSA-N 1 1 294.483 3.358 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]2CC[N@H+](CCCCC)[C@H]2C1 ZINC001222432475 816443788 /nfs/dbraw/zinc/44/37/88/816443788.db2.gz QAZKBWYDXQDOIV-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)/C=C\C(C)(C)C)C[C@@H]21 ZINC001222476808 816453685 /nfs/dbraw/zinc/45/36/85/816453685.db2.gz ZGMJBTQERDSSBU-GSNCDVCBSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)CCC)C[C@@H]21 ZINC001222484348 816454838 /nfs/dbraw/zinc/45/48/38/816454838.db2.gz OUWUDASPPBYEKE-BBWFWOEESA-N 1 1 292.467 3.312 20 30 CGEDMO CC(C)(C#N)c1ccc(CO[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC001223155596 816578526 /nfs/dbraw/zinc/57/85/26/816578526.db2.gz AGBTYDKWAIGRBP-INIZCTEOSA-N 1 1 295.386 3.216 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)C(C)(C)C2CC2)CC1 ZINC001224199078 816752650 /nfs/dbraw/zinc/75/26/50/816752650.db2.gz ZJJQVAJZGZJINK-UHFFFAOYSA-N 1 1 298.858 3.003 20 30 CGEDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2OCCCCCCC#N ZINC001224376905 816789628 /nfs/dbraw/zinc/78/96/28/816789628.db2.gz VZLCJYQGWHQQSY-MUJYYYPQSA-N 1 1 264.413 3.207 20 30 CGEDMO C=C(CO[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001224734428 816869450 /nfs/dbraw/zinc/86/94/50/816869450.db2.gz PGTCBLAAUKDSDH-FVQHAEBGSA-N 1 1 257.377 3.342 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OCC1(C#N)CC1 ZINC001224949140 816915604 /nfs/dbraw/zinc/91/56/04/816915604.db2.gz YOGQAGOLRNDPHK-NVXWUHKLSA-N 1 1 284.403 3.217 20 30 CGEDMO Cc1c(C)c(O[C@H]2CC[N@H+](C(C)C)C2)ccc1C#N ZINC001225513530 817079617 /nfs/dbraw/zinc/07/96/17/817079617.db2.gz PRXJUHKZFNEJAK-HNNXBMFYSA-N 1 1 258.365 3.037 20 30 CGEDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ccc(Cl)cc1C#N ZINC001227207859 817591956 /nfs/dbraw/zinc/59/19/56/817591956.db2.gz DTHGSDMOTYTXEN-ATCWAGBWSA-N 1 1 290.794 3.321 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H](Oc2cc(Cl)ccc2C#N)C1 ZINC001228084526 817806837 /nfs/dbraw/zinc/80/68/37/817806837.db2.gz NDFZSECQYPWYNY-AWEZNQCLSA-N 1 1 278.783 3.463 20 30 CGEDMO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1C/C=C/c1ccccc1 ZINC001231112545 818032809 /nfs/dbraw/zinc/03/28/09/818032809.db2.gz CPRGLWOYPKHEGF-VEGGFIAOSA-N 1 1 298.430 3.199 20 30 CGEDMO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1C/C=C/c1ccccc1 ZINC001231112545 818032814 /nfs/dbraw/zinc/03/28/14/818032814.db2.gz CPRGLWOYPKHEGF-VEGGFIAOSA-N 1 1 298.430 3.199 20 30 CGEDMO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC/C=C\CCC ZINC001231169957 818051091 /nfs/dbraw/zinc/05/10/91/818051091.db2.gz LRZMMXKKNWIHJE-QWGSZXSUSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C(C)C(=O)Nc1ccc(O[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC001231315049 818075245 /nfs/dbraw/zinc/07/52/45/818075245.db2.gz KEITUVUPJOLNGO-MRXNPFEDSA-N 1 1 288.391 3.063 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCCNC(=O)c1ccccc1C ZINC001231379232 818087027 /nfs/dbraw/zinc/08/70/27/818087027.db2.gz NHQAYPLCYCCELY-UHFFFAOYSA-N 1 1 274.408 3.013 20 30 CGEDMO C=CCOc1cccc(CN2CC[C@H]([N@H+](C)C(C)C)C2)c1 ZINC001231624532 818141228 /nfs/dbraw/zinc/14/12/28/818141228.db2.gz ORPBZSIVUMATNP-KRWDZBQOSA-N 1 1 288.435 3.166 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2coc(-c3ccccc3)n2)CC1 ZINC001231631638 818142756 /nfs/dbraw/zinc/14/27/56/818142756.db2.gz HDMJQFNDXQGSOP-CQSZACIVSA-N 1 1 281.359 3.467 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2coc(-c3ccccc3)n2)CC1 ZINC001231631638 818142758 /nfs/dbraw/zinc/14/27/58/818142758.db2.gz HDMJQFNDXQGSOP-CQSZACIVSA-N 1 1 281.359 3.467 20 30 CGEDMO C#Cc1cccc(C[N@H+](C)Cc2cc(OC)cc(OC)c2)c1 ZINC001231659004 818150525 /nfs/dbraw/zinc/15/05/25/818150525.db2.gz CVBOIXFPNAGUAN-UHFFFAOYSA-N 1 1 295.382 3.317 20 30 CGEDMO C#Cc1cccc(C[N@H+](C)Cc2cccc3c2OCO3)c1 ZINC001231662694 818153294 /nfs/dbraw/zinc/15/32/94/818153294.db2.gz FVCBVQLJLYWDDB-UHFFFAOYSA-N 1 1 279.339 3.029 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CC[C@@H](Oc3ccc(C)cn3)C2)c1 ZINC001231664884 818153555 /nfs/dbraw/zinc/15/35/55/818153555.db2.gz YPCUKCOVDJMXBJ-GOSISDBHSA-N 1 1 292.382 3.025 20 30 CGEDMO CSc1ccccc1C[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001231781580 818172131 /nfs/dbraw/zinc/17/21/31/818172131.db2.gz AGJGWANAIYQKBT-AWEZNQCLSA-N 1 1 291.441 3.183 20 30 CGEDMO CSc1ccccc1C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001231781580 818172134 /nfs/dbraw/zinc/17/21/34/818172134.db2.gz AGJGWANAIYQKBT-AWEZNQCLSA-N 1 1 291.441 3.183 20 30 CGEDMO N#CCC[N@H+](Cc1cc(Cl)c(O)cc1O)C1CCCC1 ZINC001232262064 818295041 /nfs/dbraw/zinc/29/50/41/818295041.db2.gz YWFFJTVYHTZLMX-UHFFFAOYSA-N 1 1 294.782 3.409 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(Cl)c(OC)cc1O ZINC001232269453 818300048 /nfs/dbraw/zinc/30/00/48/818300048.db2.gz AYKRDNLIMRXJEM-UHFFFAOYSA-N 1 1 269.772 3.452 20 30 CGEDMO C=CC[N@H+](C)Cc1cc(Br)c(C)s1 ZINC001232293817 818307189 /nfs/dbraw/zinc/30/71/89/818307189.db2.gz PTSVBDNKZJLFRS-UHFFFAOYSA-N 1 1 260.200 3.437 20 30 CGEDMO Cc1c(F)cc(C[N@@H+]2CCC[C@@H](C#N)CC2)cc1F ZINC001232424433 818345797 /nfs/dbraw/zinc/34/57/97/818345797.db2.gz MFJGMDFMRZGUHB-GFCCVEGCSA-N 1 1 264.319 3.399 20 30 CGEDMO Cc1c(F)cc(C[N@H+]2CCC[C@@H](C#N)CC2)cc1F ZINC001232424433 818345804 /nfs/dbraw/zinc/34/58/04/818345804.db2.gz MFJGMDFMRZGUHB-GFCCVEGCSA-N 1 1 264.319 3.399 20 30 CGEDMO N#Cc1ccc([O-])c(C[N@H+]2CCc3cccc(Cl)c3C2)c1 ZINC001232677973 818416937 /nfs/dbraw/zinc/41/69/37/818416937.db2.gz NGZNCUPQFUFLMG-UHFFFAOYSA-N 1 1 298.773 3.476 20 30 CGEDMO N#Cc1ccc([O-])c(CN2CCc3cccc(Cl)c3C2)c1 ZINC001232677973 818416943 /nfs/dbraw/zinc/41/69/43/818416943.db2.gz NGZNCUPQFUFLMG-UHFFFAOYSA-N 1 1 298.773 3.476 20 30 CGEDMO CC[N@H+](Cc1cccc(F)c1)Cc1cccc(C#N)n1 ZINC001232925467 818475762 /nfs/dbraw/zinc/47/57/62/818475762.db2.gz GHOSKRZGSXYOEO-UHFFFAOYSA-N 1 1 269.323 3.114 20 30 CGEDMO CC[N@@H+](Cc1cccc(F)c1)Cc1cccc(C#N)n1 ZINC001232925467 818475768 /nfs/dbraw/zinc/47/57/68/818475768.db2.gz GHOSKRZGSXYOEO-UHFFFAOYSA-N 1 1 269.323 3.114 20 30 CGEDMO Cc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)c(C#N)c1 ZINC001232966271 818485869 /nfs/dbraw/zinc/48/58/69/818485869.db2.gz JIXIVTJJLKPYML-ZDUSSCGKSA-N 1 1 268.282 3.251 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C2)c(C#N)c1 ZINC001232966271 818485871 /nfs/dbraw/zinc/48/58/71/818485871.db2.gz JIXIVTJJLKPYML-ZDUSSCGKSA-N 1 1 268.282 3.251 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3ccc(C4CC4)cc3)CCC2S1 ZINC001232982117 818490485 /nfs/dbraw/zinc/49/04/85/818490485.db2.gz PMBAPAWHKOIOSI-INIZCTEOSA-N 1 1 285.412 3.338 20 30 CGEDMO C=CCC[N@H+](Cc1[nH]ccc1C#N)Cc1ccccc1 ZINC001233046831 818507210 /nfs/dbraw/zinc/50/72/10/818507210.db2.gz IYNDEAWUVFTKDS-UHFFFAOYSA-N 1 1 265.360 3.465 20 30 CGEDMO C=CCC[N@@H+](Cc1[nH]ccc1C#N)Cc1ccccc1 ZINC001233046831 818507219 /nfs/dbraw/zinc/50/72/19/818507219.db2.gz IYNDEAWUVFTKDS-UHFFFAOYSA-N 1 1 265.360 3.465 20 30 CGEDMO CN(C)c1ccc(C[N@@H+](C)C[C@@H]2CC2(C)C)c(F)c1C#N ZINC001233102059 818520705 /nfs/dbraw/zinc/52/07/05/818520705.db2.gz NDWWBBLEHLRJSX-ZDUSSCGKSA-N 1 1 289.398 3.241 20 30 CGEDMO CN(C)c1ccc(C[N@H+](C)Cc2ccccc2)c(F)c1C#N ZINC001233097624 818522200 /nfs/dbraw/zinc/52/22/00/818522200.db2.gz YLHGKJXWEVLANL-UHFFFAOYSA-N 1 1 297.377 3.395 20 30 CGEDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccccc2)c(F)c1C#N ZINC001233097624 818522206 /nfs/dbraw/zinc/52/22/06/818522206.db2.gz YLHGKJXWEVLANL-UHFFFAOYSA-N 1 1 297.377 3.395 20 30 CGEDMO C=CC[N@@H+](Cc1[nH]nc2cc(F)ccc21)C(C)(C)C ZINC001233129059 818528769 /nfs/dbraw/zinc/52/87/69/818528769.db2.gz UTVOBMSQIUTZCW-UHFFFAOYSA-N 1 1 261.344 3.489 20 30 CGEDMO N#Cc1ccc(C[NH+]2CCC(c3cccnc3)CC2)c(O)c1 ZINC001233387248 818607695 /nfs/dbraw/zinc/60/76/95/818607695.db2.gz BIPCGTWPBXIIDP-UHFFFAOYSA-N 1 1 293.370 3.038 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CC1CCC1 ZINC001233519008 818631510 /nfs/dbraw/zinc/63/15/10/818631510.db2.gz DHCOXWPIUBJGMY-GDBMZVCRSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)CCC1CCC1 ZINC001233548106 818637398 /nfs/dbraw/zinc/63/73/98/818637398.db2.gz CXJPVCYTEIDIGG-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C[C@H](Oc1ccc2[nH+]ccn2c1)c1ccccc1C#N ZINC001233756065 818699312 /nfs/dbraw/zinc/69/93/12/818699312.db2.gz WQZUORXDTQHMGR-LBPRGKRZSA-N 1 1 263.300 3.346 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](Oc2ccc(Cl)c(C#N)c2)C1 ZINC001233926247 818733193 /nfs/dbraw/zinc/73/31/93/818733193.db2.gz XVBCIIPHIGSRNE-ZDUSSCGKSA-N 1 1 264.756 3.073 20 30 CGEDMO C=CCC(CC=C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCCCC ZINC001234510155 818869818 /nfs/dbraw/zinc/86/98/18/818869818.db2.gz VJQHFBWZYBPCNW-KRWDZBQOSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@]1(C)CC=CCC1 ZINC001234529524 818876092 /nfs/dbraw/zinc/87/60/92/818876092.db2.gz ZPUHTLHYJAFKKQ-WMZOPIPTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCC[C@@H](C)CC ZINC001234548114 818881417 /nfs/dbraw/zinc/88/14/17/818881417.db2.gz VZXLXCLYHUGASX-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(OC)cc2OC(C)C)C1 ZINC001234720203 818921844 /nfs/dbraw/zinc/92/18/44/818921844.db2.gz KIUUKUAAVDYLOL-OAHLLOKOSA-N 1 1 287.403 3.328 20 30 CGEDMO CCCCCCCCCCCN1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001235002561 818975158 /nfs/dbraw/zinc/97/51/58/818975158.db2.gz RVOIHZXAPMVRLJ-MSOLQXFVSA-N 1 1 296.499 3.031 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cccc(N3CCCC3)c2)C1 ZINC001235092774 819000132 /nfs/dbraw/zinc/00/01/32/819000132.db2.gz OHBWOMYOFHWLNG-INIZCTEOSA-N 1 1 283.419 3.412 20 30 CGEDMO C=CCCCCCCCCC[N@@H+]1CCN[C@H]2C[C@H]21 ZINC001235282601 819060772 /nfs/dbraw/zinc/06/07/72/819060772.db2.gz BNNVYZYYKORAOH-JKSUJKDBSA-N 1 1 250.430 3.339 20 30 CGEDMO C=CCCCCCCCCC[N@H+]1CCN[C@H]2C[C@H]21 ZINC001235282601 819060774 /nfs/dbraw/zinc/06/07/74/819060774.db2.gz BNNVYZYYKORAOH-JKSUJKDBSA-N 1 1 250.430 3.339 20 30 CGEDMO N#CCc1ccccc1C[N@@H+]1CCCC(F)(F)[C@H](F)C1 ZINC001235512753 819112696 /nfs/dbraw/zinc/11/26/96/819112696.db2.gz VCUXRNCYWUXGKZ-CQSZACIVSA-N 1 1 282.309 3.322 20 30 CGEDMO N#CCc1ccccc1C[N@H+]1CCCC(F)(F)[C@H](F)C1 ZINC001235512753 819112699 /nfs/dbraw/zinc/11/26/99/819112699.db2.gz VCUXRNCYWUXGKZ-CQSZACIVSA-N 1 1 282.309 3.322 20 30 CGEDMO C[N@H+](Cc1cnc(Cl)s1)Cc1ccccc1CC#N ZINC001235512393 819112834 /nfs/dbraw/zinc/11/28/34/819112834.db2.gz QKGDDQBHNKWJPL-UHFFFAOYSA-N 1 1 291.807 3.495 20 30 CGEDMO C[N@@H+](Cc1cnc(Cl)s1)Cc1ccccc1CC#N ZINC001235512393 819112836 /nfs/dbraw/zinc/11/28/36/819112836.db2.gz QKGDDQBHNKWJPL-UHFFFAOYSA-N 1 1 291.807 3.495 20 30 CGEDMO C[N@H+](Cc1ccccc1CC#N)C[C@@H]1Cc2ccccc2O1 ZINC001235526400 819116562 /nfs/dbraw/zinc/11/65/62/819116562.db2.gz CWWLSOOBWDWZTL-SFHVURJKSA-N 1 1 292.382 3.188 20 30 CGEDMO N#Cc1cc(F)c(C[N@@H+]2CC3CCC2CC3)c(F)c1 ZINC001235658413 819130910 /nfs/dbraw/zinc/13/09/10/819130910.db2.gz LVVABHFISKFBHZ-UHFFFAOYSA-N 1 1 262.303 3.211 20 30 CGEDMO N#Cc1cc(F)c(C[N@H+]2CC3CCC2CC3)c(F)c1 ZINC001235658413 819130911 /nfs/dbraw/zinc/13/09/11/819130911.db2.gz LVVABHFISKFBHZ-UHFFFAOYSA-N 1 1 262.303 3.211 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC12CC2 ZINC001235794508 819169686 /nfs/dbraw/zinc/16/96/86/819169686.db2.gz CYHFBPIKKGGVFS-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO N#Cc1ccc(C2CCN(CC[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC001236181889 819359015 /nfs/dbraw/zinc/35/90/15/819359015.db2.gz KRVUZJLHPNAGOV-IBGZPJMESA-N 1 1 297.446 3.270 20 30 CGEDMO C=CCOc1ccccc1CN(CCC)C1CC[NH2+]CC1 ZINC001236181798 819359565 /nfs/dbraw/zinc/35/95/65/819359565.db2.gz GEOCQWAVIIRVBS-UHFFFAOYSA-N 1 1 288.435 3.215 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)c(Br)c1)CC1CC1 ZINC001236854958 819623628 /nfs/dbraw/zinc/62/36/28/819623628.db2.gz JQKWAMFQBZOQGB-UHFFFAOYSA-N 1 1 279.181 3.163 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(F)c3ccoc32)C1 ZINC001236897471 819633639 /nfs/dbraw/zinc/63/36/39/819633639.db2.gz DXGFRCLCLHFEAK-LBPRGKRZSA-N 1 1 257.308 3.417 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(-n2cccn2)c(Cl)c1 ZINC001236901179 819634856 /nfs/dbraw/zinc/63/48/56/819634856.db2.gz NMWPMMGNAOWXBY-UHFFFAOYSA-N 1 1 261.756 3.144 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(O)cc3ccccc32)C1 ZINC001237073687 819660925 /nfs/dbraw/zinc/66/09/25/819660925.db2.gz KRGKSPSWNRUZPX-AWEZNQCLSA-N 1 1 265.356 3.391 20 30 CGEDMO C=CC[N@@H+](Cc1sc(=O)[nH]c1Cl)C(C)(C)C ZINC001237170350 819687682 /nfs/dbraw/zinc/68/76/82/819687682.db2.gz WKURLEUORXNQPZ-UHFFFAOYSA-N 1 1 260.790 3.289 20 30 CGEDMO CCO[C@H]1CCC[N@@H+](Cc2cn(C)c3ccc(C#N)cc23)C1 ZINC001237470966 819759365 /nfs/dbraw/zinc/75/93/65/819759365.db2.gz LSNCTRBPEZTMJG-INIZCTEOSA-N 1 1 297.402 3.051 20 30 CGEDMO COC[C@@H]1CCCC[N@H+]1Cc1cn(C)c2ccc(C#N)cc12 ZINC001237468392 819759777 /nfs/dbraw/zinc/75/97/77/819759777.db2.gz MOCMODZFDIOGBE-INIZCTEOSA-N 1 1 297.402 3.051 20 30 CGEDMO COc1c(C)cccc1C[N@@H+]1CCc2cc(C#N)ccc2C1 ZINC001237501106 819766232 /nfs/dbraw/zinc/76/62/32/819766232.db2.gz PEVDXZHEKWCNHM-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO COc1c(C)cccc1C[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001237501106 819766234 /nfs/dbraw/zinc/76/62/34/819766234.db2.gz PEVDXZHEKWCNHM-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO CCOCC1CC[NH+](Cc2cc(C#N)c(F)cc2F)CC1 ZINC001237528515 819772534 /nfs/dbraw/zinc/77/25/34/819772534.db2.gz BPPCBURATWLOAV-UHFFFAOYSA-N 1 1 294.345 3.085 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cc(F)c(Cl)cc1O ZINC001237937336 819888709 /nfs/dbraw/zinc/88/87/09/819888709.db2.gz PBDWXVGGFSNUCF-UHFFFAOYSA-N 1 1 255.720 3.359 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2[nH]nc3cc(Cl)ccc32)CC1 ZINC001238001141 819907467 /nfs/dbraw/zinc/90/74/67/819907467.db2.gz SANOAZAOUWKBBF-LLVKDONJSA-N 1 1 288.782 3.342 20 30 CGEDMO CCCCCCCCCC[N@@H+](C)Cc1cnnn1C ZINC001238161965 819944746 /nfs/dbraw/zinc/94/47/46/819944746.db2.gz CINJDPXLKBRABO-UHFFFAOYSA-N 1 1 266.433 3.388 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@@H+](Cc1cncc(C3CC3)c1)CC2 ZINC001238182535 819949475 /nfs/dbraw/zinc/94/94/75/819949475.db2.gz UYFSBHKVAPMOES-UHFFFAOYSA-N 1 1 289.382 3.389 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@H+](Cc1cncc(C3CC3)c1)CC2 ZINC001238182535 819949483 /nfs/dbraw/zinc/94/94/83/819949483.db2.gz UYFSBHKVAPMOES-UHFFFAOYSA-N 1 1 289.382 3.389 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cccc(F)c2OC(C)C)C1 ZINC001238329052 819976530 /nfs/dbraw/zinc/97/65/30/819976530.db2.gz PEUKNNYPOLNIKO-AWEZNQCLSA-N 1 1 275.367 3.458 20 30 CGEDMO COc1cc(C)cc(F)c1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001238591775 820056008 /nfs/dbraw/zinc/05/60/08/820056008.db2.gz MRNAZUZGNAWRCJ-CYBMUJFWSA-N 1 1 276.355 3.268 20 30 CGEDMO COc1cc(C)cc(F)c1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001238591775 820056019 /nfs/dbraw/zinc/05/60/19/820056019.db2.gz MRNAZUZGNAWRCJ-CYBMUJFWSA-N 1 1 276.355 3.268 20 30 CGEDMO CCc1cc(C[N@H+]2CCC[C@@](C)(CO)CC2)ccc1C#N ZINC001238766972 820111881 /nfs/dbraw/zinc/11/18/81/820111881.db2.gz QTSOSYZRUIQFIW-GOSISDBHSA-N 1 1 286.419 3.105 20 30 CGEDMO COc1cc(C)c(C)cc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001238767568 820112375 /nfs/dbraw/zinc/11/23/75/820112375.db2.gz QXMRGZVISUITNS-OAHLLOKOSA-N 1 1 272.392 3.438 20 30 CGEDMO CCc1cc(CN2CC[C@H]([N@@H+](C)C(C)C)C2)ccc1C#N ZINC001238770234 820113489 /nfs/dbraw/zinc/11/34/89/820113489.db2.gz ZMFQTUIHZDDKLF-SFHVURJKSA-N 1 1 285.435 3.035 20 30 CGEDMO N#CCc1cccc(C2=CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC001240384739 821009869 /nfs/dbraw/zinc/00/98/69/821009869.db2.gz QWNZKESPCCNCQW-UHFFFAOYSA-N 1 1 289.382 3.437 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1-c1ccc(C#N)c(CC#N)c1 ZINC001241242660 821663320 /nfs/dbraw/zinc/66/33/20/821663320.db2.gz IOKUCZXPTKIAEG-UHFFFAOYSA-N 1 1 276.343 3.061 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1-c1cc(C#N)cc2[nH]ccc21 ZINC001241251011 821672098 /nfs/dbraw/zinc/67/20/98/821672098.db2.gz QYAUOTGSPYGONW-UHFFFAOYSA-N 1 1 276.343 3.476 20 30 CGEDMO C[N@H+]1CCC=C(c2ccc3cc(C#N)sc3c2)C1 ZINC001241570226 821956381 /nfs/dbraw/zinc/95/63/81/821956381.db2.gz YDGKYQHLUFIJNC-UHFFFAOYSA-N 1 1 254.358 3.492 20 30 CGEDMO C[N@H+]1CCCC[C@H]1c1ccc(-c2ccc(O)c(C#N)c2)nc1 ZINC001242562889 823033136 /nfs/dbraw/zinc/03/31/36/823033136.db2.gz KWMXERQFIPTCOG-KRWDZBQOSA-N 1 1 293.370 3.483 20 30 CGEDMO C=CC[C@H]([NH2+]C1CCCCCCC1)C(=O)OCC ZINC001339093470 936349602 /nfs/dbraw/zinc/34/96/02/936349602.db2.gz HCMHROWVSQELBP-AWEZNQCLSA-N 1 1 253.386 3.197 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001340616692 936409012 /nfs/dbraw/zinc/40/90/12/936409012.db2.gz SQCSRQSPZMKXIA-FUHWJXTLSA-N 1 1 284.403 3.176 20 30 CGEDMO CC1(C)C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1(C)C ZINC001340892047 936418764 /nfs/dbraw/zinc/41/87/64/936418764.db2.gz XUQGBMCCKYPENP-UHFFFAOYSA-N 1 1 285.391 3.007 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC001342228222 936462692 /nfs/dbraw/zinc/46/26/92/936462692.db2.gz IMMNKIHOICEGJV-WBVHZDCISA-N 1 1 275.367 3.480 20 30 CGEDMO C=CCn1cnn(C[NH+]2CCCCCCCC2)c1=S ZINC001345056932 936799205 /nfs/dbraw/zinc/79/92/05/936799205.db2.gz UBCSQNKGXFEMDL-UHFFFAOYSA-N 1 1 280.441 3.214 20 30 CGEDMO C[C@@H](C[C@@H]1CCCC[N@H+]1C)OC(=O)c1csc(C#N)c1 ZINC001345158392 936804726 /nfs/dbraw/zinc/80/47/26/936804726.db2.gz CGPLJEYPVZBFFN-AAEUAGOBSA-N 1 1 292.404 3.039 20 30 CGEDMO C=C(CC(C)C)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC001346180345 936841101 /nfs/dbraw/zinc/84/11/01/936841101.db2.gz NWMWOTUXWIDBPX-INIZCTEOSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](CCCOc2ccccc2C)C1 ZINC001473788608 937821527 /nfs/dbraw/zinc/82/15/27/937821527.db2.gz PXYLEUZNTGOVFT-MRXNPFEDSA-N 1 1 257.377 3.109 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CCC[N@H+](CC=C(C)C)C2)CCC1 ZINC001479909791 936922889 /nfs/dbraw/zinc/92/28/89/936922889.db2.gz QGHCRDRNDKWFIN-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(CC)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001349002091 936941758 /nfs/dbraw/zinc/94/17/58/936941758.db2.gz BNFMJJHYMVZUAY-DZGCQCFKSA-N 1 1 292.448 3.213 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cccc(OC3CC3)c2F)C1 ZINC001350615068 936996417 /nfs/dbraw/zinc/99/64/17/936996417.db2.gz HXBROBRLXXIBDP-OAHLLOKOSA-N 1 1 291.366 3.144 20 30 CGEDMO CO[C@@H]1CCC[N@@H+](Cc2c(C)cc(C#N)cc2C)CC1 ZINC001351272196 937013167 /nfs/dbraw/zinc/01/31/67/937013167.db2.gz GOIBLFWBBXPETP-MRXNPFEDSA-N 1 1 272.392 3.176 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC1CC1 ZINC001480092499 937021660 /nfs/dbraw/zinc/02/16/60/937021660.db2.gz VXPKSDWVAVFCIX-BHYGNILZSA-N 1 1 290.451 3.207 20 30 CGEDMO C#CCCCC(=O)NCC[N@H+](CC)CC1CCC(C)CC1 ZINC001480972020 926849264 /nfs/dbraw/zinc/84/92/64/926849264.db2.gz YZEKKIQVXQVETG-UHFFFAOYSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[N@H+](CC)CC1CCCCC1 ZINC001480993269 926853136 /nfs/dbraw/zinc/85/31/36/926853136.db2.gz SWNLQUYUZGXXBJ-UHFFFAOYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)c1cc(C(C)C)oc1C ZINC001481009968 926857970 /nfs/dbraw/zinc/85/79/70/926857970.db2.gz QIDLZSWBFUFSIV-UHFFFAOYSA-N 1 1 292.423 3.339 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001481152678 926897183 /nfs/dbraw/zinc/89/71/83/926897183.db2.gz XALWBJRUBVVAQD-WKILWMFISA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@H+](CCNC(=O)[C@H]1C[C@@]1(C)C(C)C)C1CC1 ZINC001481192415 926905948 /nfs/dbraw/zinc/90/59/48/926905948.db2.gz VCNFWRFQWMNPMF-AEFFLSMTSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C1CC(C)(C(=O)NCCC[N@@H+](C/C=C\Cl)C(C)C)C1 ZINC001481354824 926967450 /nfs/dbraw/zinc/96/74/50/926967450.db2.gz XYMAOILAWADQJO-ALCCZGGFSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)CSC(C)C)C1 ZINC001481390641 926975378 /nfs/dbraw/zinc/97/53/78/926975378.db2.gz OEUPNMJJBDBMDR-HNNXBMFYSA-N 1 1 298.496 3.017 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)CC2CCCCC2)C1 ZINC001481418280 926981385 /nfs/dbraw/zinc/98/13/85/926981385.db2.gz ZYZILRUPMKJRMB-QGZVFWFLSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CC[N@H+]1CC[C@H](CCNC(=O)C2(CC=C)CCCC2)C1 ZINC001481465060 926994027 /nfs/dbraw/zinc/99/40/27/926994027.db2.gz QFSFZDUHSVFTTA-INIZCTEOSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC001481474638 926997079 /nfs/dbraw/zinc/99/70/79/926997079.db2.gz MKKDFNNTKWWPEX-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H](C[N@H+](C)CC/C=C/CC)C1 ZINC001481487501 927001310 /nfs/dbraw/zinc/00/13/10/927001310.db2.gz DLVNYNAZIKPGTJ-DKRLNXSXSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)C)C1 ZINC001481502802 927006774 /nfs/dbraw/zinc/00/67/74/927006774.db2.gz CYRCQQDNOFSGOG-LSDHHAIUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CC1CCN(C(=O)C=C2CCC2)CC1 ZINC001481514046 927009680 /nfs/dbraw/zinc/00/96/80/927009680.db2.gz YGVJJOUAIIKZHB-UHFFFAOYSA-N 1 1 296.842 3.020 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001481538962 927019738 /nfs/dbraw/zinc/01/97/38/927019738.db2.gz NASYUWQJUZHMIA-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H](NC(=O)CC2CCCCC2)C1 ZINC001481697740 927059531 /nfs/dbraw/zinc/05/95/31/927059531.db2.gz YQFTXDNELXBFBH-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001481691951 927061650 /nfs/dbraw/zinc/06/16/50/927061650.db2.gz YGCXVLKTQGMUNX-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C[C@@H](CC(=O)N[C@H]1CC[N@H+](CC(=C)C)C1)c1ccccc1 ZINC001481696431 927064254 /nfs/dbraw/zinc/06/42/54/927064254.db2.gz KJWIYVCZZIOEMC-WMZOPIPTSA-N 1 1 298.430 3.113 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001481700098 927065432 /nfs/dbraw/zinc/06/54/32/927065432.db2.gz GYUNOOOFWHUNPO-ZIAGYGMSSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CCC1(C(=O)N(C)[C@H]2CC[N@@H+](CC3CCC3)C2)CCC1 ZINC001481739910 927076823 /nfs/dbraw/zinc/07/68/23/927076823.db2.gz HCNNAKYJPYEKBK-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](C)CC(C)C)C1 ZINC001481747244 927078575 /nfs/dbraw/zinc/07/85/75/927078575.db2.gz NYRYZDMJZYBJKY-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC1(CC(=O)N(CC)[C@@H]2CC[N@@H+](CC)C2)CCCCC1 ZINC001481774857 927087149 /nfs/dbraw/zinc/08/71/49/927087149.db2.gz ITHZZTHEULRFTN-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC(C)(C)C1 ZINC001482626172 927331053 /nfs/dbraw/zinc/33/10/53/927331053.db2.gz ANILGXXCTWLEHO-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CC(C)(C)C)CC[C@H]21 ZINC001482656469 927335351 /nfs/dbraw/zinc/33/53/51/927335351.db2.gz WRHCNKCDPKDJBA-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC(=O)N[C@@H](C)C[N@@H+](C)CCC1=CCCCC1 ZINC001483321439 927481973 /nfs/dbraw/zinc/48/19/73/927481973.db2.gz ZHZQLUNDAGYOQX-HNNXBMFYSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)CC1CCCCC1 ZINC001483372862 927490210 /nfs/dbraw/zinc/49/02/10/927490210.db2.gz PXSXIJPTOLVWLJ-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)c1occc1C(C)C ZINC001483377150 927493688 /nfs/dbraw/zinc/49/36/88/927493688.db2.gz QLUVVRZDSPYKNT-CYBMUJFWSA-N 1 1 278.396 3.029 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H](F)c1ccccc1 ZINC001483391042 927494999 /nfs/dbraw/zinc/49/49/99/927494999.db2.gz MHXRZIDNIPQEML-GOEBONIOSA-N 1 1 292.398 3.100 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CNC(=O)C1(C)CCCCC1 ZINC001483676090 927566830 /nfs/dbraw/zinc/56/68/30/927566830.db2.gz HWVRFCDKEGFJQJ-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC=C(C)C ZINC001484018146 927662477 /nfs/dbraw/zinc/66/24/77/927662477.db2.gz UEFMORSFMCXCRN-SJORKVTESA-N 1 1 290.451 3.374 20 30 CGEDMO C=C(C)CCC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC001484044747 927667056 /nfs/dbraw/zinc/66/70/56/927667056.db2.gz LNFDKGXDSIWCCB-SFHVURJKSA-N 1 1 286.419 3.124 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@](C)(NC(=O)c2cc(C)co2)C1 ZINC001484058456 927668992 /nfs/dbraw/zinc/66/89/92/927668992.db2.gz VTHYTEWVSPDSGZ-YOEHRIQHSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@](C)(CNC(=O)C2=CCCC2)C1 ZINC001484156103 927680403 /nfs/dbraw/zinc/68/04/03/927680403.db2.gz AEYVCNLGXVDEDV-GOSISDBHSA-N 1 1 290.451 3.281 20 30 CGEDMO C#CCCCC(=O)NC[C@]1(C)CCC[N@H+](C[C@@H](C)CC)C1 ZINC001484156236 927681437 /nfs/dbraw/zinc/68/14/37/927681437.db2.gz KBILDCVTYONUBL-WMZOPIPTSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CC[N@@H+]1CCC[C@](C)(CNC(=O)C[C@@H](CC)C(C)C)C1 ZINC001484173490 927685068 /nfs/dbraw/zinc/68/50/68/927685068.db2.gz KDUXFRIWJBAOIQ-SJLPKXTDSA-N 1 1 294.483 3.463 20 30 CGEDMO CCCCCCC[N@@H+]1C[C@H]2CN(C(=O)CCCF)C[C@H]2C1 ZINC001484411126 927702569 /nfs/dbraw/zinc/70/25/69/927702569.db2.gz ZRRUQAILTRCOJO-IYBDPMFKSA-N 1 1 298.446 3.097 20 30 CGEDMO C=CC[N@H+]1CCc2c(CNC(=O)CC3CCC3)cccc2C1 ZINC001484611031 927728469 /nfs/dbraw/zinc/72/84/69/927728469.db2.gz AMPWQFZGYKIBNN-UHFFFAOYSA-N 1 1 298.430 3.037 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)CCC)CC1 ZINC001484712004 927739538 /nfs/dbraw/zinc/73/95/38/927739538.db2.gz LOWPOSZNJUFXLQ-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H](NC(=O)C[C@@H]2C=CCC2)CC1 ZINC001484705883 927740761 /nfs/dbraw/zinc/74/07/61/927740761.db2.gz ATBRDTLARQPNAH-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)/C(C)=C\CC)CC1 ZINC001484708884 927742632 /nfs/dbraw/zinc/74/26/32/927742632.db2.gz YBUUDAHVYRZBOO-QOBZYLRHSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@@H+](C/C=C\Cl)CC1 ZINC001484715686 927742756 /nfs/dbraw/zinc/74/27/56/927742756.db2.gz VCADXGINFSDLHI-DEBLGDTFSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCCC(=O)N(C)CCC[N@H+](C)CC=C(Cl)Cl ZINC001484734541 927747352 /nfs/dbraw/zinc/74/73/52/927747352.db2.gz DSMSMAPRHBQQDT-UHFFFAOYSA-N 1 1 293.238 3.052 20 30 CGEDMO C=CCCC(=O)N(C)CCC[N@@H+](C)CC=C(Cl)Cl ZINC001484734541 927747357 /nfs/dbraw/zinc/74/73/57/927747357.db2.gz DSMSMAPRHBQQDT-UHFFFAOYSA-N 1 1 293.238 3.052 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)c1ccccc1CCC ZINC001485325839 927846463 /nfs/dbraw/zinc/84/64/63/927846463.db2.gz ATFHTXZDLNIADS-HNNXBMFYSA-N 1 1 288.435 3.265 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)c1sccc1C1CC1 ZINC001485380567 927860172 /nfs/dbraw/zinc/86/01/72/927860172.db2.gz HWDFOCCUZARSKK-GFCCVEGCSA-N 1 1 292.448 3.252 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)C(C)=C1CCC1 ZINC001485476468 927877572 /nfs/dbraw/zinc/87/75/72/927877572.db2.gz MCCWBNXMZRFRSN-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)C[C@@H]1CC=CCC1 ZINC001485480908 927879226 /nfs/dbraw/zinc/87/92/26/927879226.db2.gz SZJDWSCXYDXOBW-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@]1(C)C=CCC1 ZINC001485479787 927879453 /nfs/dbraw/zinc/87/94/53/927879453.db2.gz HBFKAGQUUVTKSQ-SJLPKXTDSA-N 1 1 290.451 3.280 20 30 CGEDMO C#CC[N@@H+]1C[C@H](NC(=O)CCCCC(C)(C)C)C(C)(C)C1 ZINC001485568687 927890852 /nfs/dbraw/zinc/89/08/52/927890852.db2.gz FYYZAUSOVXASHX-HNNXBMFYSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[C@H]2C[N@H+](CC(C)C)C[C@@H]2C1 ZINC001485654414 927895385 /nfs/dbraw/zinc/89/53/85/927895385.db2.gz AZMHDOVBAVORCD-HRCADAONSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCC)C[C@H]2C1 ZINC001485656823 927896535 /nfs/dbraw/zinc/89/65/35/927896535.db2.gz XXYBUJJELLTTLA-YESZJQIVSA-N 1 1 292.467 3.360 20 30 CGEDMO C#C[C@@H]1CCCC[N@@H+]1CCCOc1ccccc1C ZINC001473868401 937202303 /nfs/dbraw/zinc/20/23/03/937202303.db2.gz QMRMLOLDFURWFT-MRXNPFEDSA-N 1 1 257.377 3.252 20 30 CGEDMO Cc1nc(NCc2cnc(C(C)C)[nH]2)c(Cl)cc1C#N ZINC001559288640 937208755 /nfs/dbraw/zinc/20/87/55/937208755.db2.gz MFDBLMHGIWTSKD-UHFFFAOYSA-N 1 1 289.770 3.374 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@]2(NC(=O)C3CC=CC3)CCC[C@@H]12 ZINC001486136459 927987804 /nfs/dbraw/zinc/98/78/04/927987804.db2.gz BEJPAMVIKICCSJ-AEFFLSMTSA-N 1 1 288.435 3.032 20 30 CGEDMO C=CCCC[N@H+]1CC[C@]2(NC(=O)CCC(=C)C)CCC[C@@H]12 ZINC001486149821 927988540 /nfs/dbraw/zinc/98/85/40/927988540.db2.gz WKYGRGGLUTWGLZ-SJLPKXTDSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)CCC(=O)N[C@@]12CCC[C@H]1[N@@H+](CCCC)CC2 ZINC001486145824 927990350 /nfs/dbraw/zinc/99/03/50/927990350.db2.gz LRFXXWPIWWXQEN-NVXWUHKLSA-N 1 1 278.440 3.256 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)C=C(CC)CC)[C@H]1C ZINC001486168896 927994663 /nfs/dbraw/zinc/99/46/63/927994663.db2.gz ALWWVCYQDDINBQ-UKRRQHHQSA-N 1 1 298.858 3.454 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C=C(CC)CC)[C@H]1C ZINC001486168896 927994670 /nfs/dbraw/zinc/99/46/70/927994670.db2.gz ALWWVCYQDDINBQ-UKRRQHHQSA-N 1 1 298.858 3.454 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CCC[N@H+](CCCC)[C@@H]1C ZINC001486177323 927996695 /nfs/dbraw/zinc/99/66/95/927996695.db2.gz PIZOUCSVLWQDAF-CABCVRRESA-N 1 1 266.429 3.112 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)[C@@H]1CCCC12CC2)C(C)C ZINC001486369263 928010283 /nfs/dbraw/zinc/01/02/83/928010283.db2.gz JMARBOQWKZZZOX-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)[C@H](CC)CCCC)CC1 ZINC001486501217 928031486 /nfs/dbraw/zinc/03/14/86/928031486.db2.gz BPLQSPQHYBSLMG-MRXNPFEDSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)C1CCCC1 ZINC001488675092 928288341 /nfs/dbraw/zinc/28/83/41/928288341.db2.gz FEPDGSPPXOGOPZ-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@](C)(CC)CCC)C[C@@H]2C1 ZINC001489204743 928318608 /nfs/dbraw/zinc/31/86/08/928318608.db2.gz ANTKQWVMALGBOZ-RYRKJORJSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](C)C1CC1 ZINC001489321380 928327368 /nfs/dbraw/zinc/32/73/68/928327368.db2.gz DIHRVEKWBHEAQU-HIFRSBDPSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](C)C1CC1 ZINC001489321380 928327383 /nfs/dbraw/zinc/32/73/83/928327383.db2.gz DIHRVEKWBHEAQU-HIFRSBDPSA-N 1 1 298.858 3.098 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)CC)CC(C)(C)C1 ZINC001489340849 928327706 /nfs/dbraw/zinc/32/77/06/928327706.db2.gz URKZIORDZSUCQP-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCCC[C@H]1C[N@H+](C)CCC ZINC001489327992 928328524 /nfs/dbraw/zinc/32/85/24/928328524.db2.gz PAOVKCJYZHOMAD-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)CCCCC)[C@H]1C ZINC001489312547 928329898 /nfs/dbraw/zinc/32/98/98/928329898.db2.gz SBOYPLPDHVFIKG-IKGGRYGDSA-N 1 1 292.467 3.195 20 30 CGEDMO C=C(C)C[N@@H+](C)CCCNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001490196520 928337869 /nfs/dbraw/zinc/33/78/69/928337869.db2.gz YTMMYXFFSLVRQK-MRXNPFEDSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)C[N@@H+](C)CCCNC(=O)c1cc(Cl)cs1 ZINC001490256742 928342052 /nfs/dbraw/zinc/34/20/52/928342052.db2.gz WIXVFSDYUJSXDJ-UHFFFAOYSA-N 1 1 286.828 3.029 20 30 CGEDMO CC#CC[N@H+](CC)CCCNC(=O)C[C@@H](CC)C(C)(C)C ZINC001490355673 928354422 /nfs/dbraw/zinc/35/44/22/928354422.db2.gz VZIBEGVLBIZOAV-MRXNPFEDSA-N 1 1 294.483 3.300 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001490529675 928362061 /nfs/dbraw/zinc/36/20/61/928362061.db2.gz JUBWKJZXTXBHSZ-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)C2CC2)C1 ZINC001490433656 928362999 /nfs/dbraw/zinc/36/29/99/928362999.db2.gz AWTJJXIGQIWLFP-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)CC)C1 ZINC001490426817 928364185 /nfs/dbraw/zinc/36/41/85/928364185.db2.gz FVCBPWZUHDXWGJ-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CC)CCNC(=O)C1C(C)(C)C1(C)C ZINC001492932963 937243760 /nfs/dbraw/zinc/24/37/60/937243760.db2.gz KCIHIDKDAKVIGX-CQSZACIVSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)[C@@]1(C)CCC[C@H]1CC ZINC001320021582 928487734 /nfs/dbraw/zinc/48/77/34/928487734.db2.gz QVMDOHVKVIHOIN-WBVHZDCISA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C/C=C\C)C(=O)OCC)C1 ZINC001308740027 928541040 /nfs/dbraw/zinc/54/10/40/928541040.db2.gz BIZFKNBSBVOZBN-UTPJNDRASA-N 1 1 265.397 3.219 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C=C)CC1 ZINC001327143467 928620955 /nfs/dbraw/zinc/62/09/55/928620955.db2.gz QGUWPSQDBTVDEI-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H](F)CC ZINC001491209318 928845817 /nfs/dbraw/zinc/84/58/17/928845817.db2.gz BNEJDIDNSLCFAS-GJZGRUSLSA-N 1 1 284.419 3.062 20 30 CGEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C)CCC(C)(C)C ZINC001491229575 928846851 /nfs/dbraw/zinc/84/68/51/928846851.db2.gz IPMSKZBCEKPWEH-CVEARBPZSA-N 1 1 292.467 3.053 20 30 CGEDMO C#C[C@@H](CC)NC(=O)c1ccc(C[N@H+](CC)CCC)cc1 ZINC000754367340 928856545 /nfs/dbraw/zinc/85/65/45/928856545.db2.gz RCFIOHQNYMZDNR-KRWDZBQOSA-N 1 1 286.419 3.060 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)/C(F)=C\C1CCCCC1 ZINC001448872428 937377358 /nfs/dbraw/zinc/37/73/58/937377358.db2.gz JTTYQAKUKQGFOA-JQIJEIRASA-N 1 1 296.430 3.386 20 30 CGEDMO Cc1cn(Cc2ccc(C#N)cc2Br)c(C)[nH+]1 ZINC001458992353 937477599 /nfs/dbraw/zinc/47/75/99/937477599.db2.gz COKYFAIAYWUGID-UHFFFAOYSA-N 1 1 290.164 3.182 20 30 CGEDMO CC[C@]1(C)CCC[N@@H+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001459570892 937492830 /nfs/dbraw/zinc/49/28/30/937492830.db2.gz ZKOXJGXYXHREAW-IAGOWNOFSA-N 1 1 272.392 3.104 20 30 CGEDMO C#CCOCC[N@@H+]1CC=C(c2cc(C)cc(C)c2)CC1 ZINC001459781201 937499631 /nfs/dbraw/zinc/49/96/31/937499631.db2.gz PYTLASSSGONIAX-UHFFFAOYSA-N 1 1 269.388 3.042 20 30 CGEDMO COc1ccccc1C1([NH2+]Cc2cc(C#N)ccn2)CCC1 ZINC001459859181 937504065 /nfs/dbraw/zinc/50/40/65/937504065.db2.gz FKNMSCYMOQKBCM-UHFFFAOYSA-N 1 1 293.370 3.131 20 30 CGEDMO C=CC[C@@H](C(=O)OC)[N@@H+](CCC)CCc1cccs1 ZINC001459908605 937505880 /nfs/dbraw/zinc/50/58/80/937505880.db2.gz PLSHGQZGZGKBJU-AWEZNQCLSA-N 1 1 281.421 3.120 20 30 CGEDMO C=CC[C@H](C)[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001460046102 937512689 /nfs/dbraw/zinc/51/26/89/937512689.db2.gz KJUPEIGHSAOXDJ-RYQLBKOJSA-N 1 1 270.420 3.015 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2noc3c2CC(C)(C)CC3)C1 ZINC001460289674 937525195 /nfs/dbraw/zinc/52/51/95/937525195.db2.gz MXJYQZKNCJFEQG-CQSZACIVSA-N 1 1 286.419 3.425 20 30 CGEDMO N#Cc1cccc([C@@H](O)C[N@H+]2CC[C@@H](C3CCCCC3)C2)c1 ZINC001460369139 937529792 /nfs/dbraw/zinc/52/97/92/937529792.db2.gz RTWHCLRGEOXOIC-MOPGFXCFSA-N 1 1 298.430 3.494 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CCc2cccc3c2OC(F)(F)O3)C1 ZINC001460510505 937533182 /nfs/dbraw/zinc/53/31/82/937533182.db2.gz FEHYYGUSHPPVFK-GFCCVEGCSA-N 1 1 295.329 3.449 20 30 CGEDMO Cc1cc(C#N)ccc1CN1CC[N@@H+](C2CCCC2)[C@H](C)C1 ZINC001460775556 937544839 /nfs/dbraw/zinc/54/48/39/937544839.db2.gz BBXQEEYFZKSGBP-MRXNPFEDSA-N 1 1 297.446 3.315 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1noc(-c2cncc(C)c2)n1 ZINC001460885768 937550299 /nfs/dbraw/zinc/55/02/99/937550299.db2.gz IJFYEIZNOXQGLS-HNNXBMFYSA-N 1 1 298.390 3.371 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1c(C)nn(C)c1Cl ZINC001460890424 937551085 /nfs/dbraw/zinc/55/10/85/937551085.db2.gz MPTKGQOYYKYQLN-GFCCVEGCSA-N 1 1 267.804 3.313 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140115396 931955738 /nfs/dbraw/zinc/95/57/38/931955738.db2.gz ZGQAJVXMGMDUSO-UHFFFAOYSA-N 1 1 253.349 3.438 20 30 CGEDMO COc1ccc(C[N@@H+](C)Cc2cc(F)cc(C#N)c2)cc1 ZINC000163559739 932003245 /nfs/dbraw/zinc/00/32/45/932003245.db2.gz QAJZHOXRXHAYDN-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO N#CCCCC[N@@H+]1CCc2cc(F)cc(F)c2C1 ZINC001460974845 937557105 /nfs/dbraw/zinc/55/71/05/937557105.db2.gz SUTPIAWIERNZBW-UHFFFAOYSA-N 1 1 250.292 3.017 20 30 CGEDMO N#CCCCC[N@H+]1CCc2cc(F)cc(F)c2C1 ZINC001460974845 937557108 /nfs/dbraw/zinc/55/71/08/937557108.db2.gz SUTPIAWIERNZBW-UHFFFAOYSA-N 1 1 250.292 3.017 20 30 CGEDMO C=C[C@H](Oc1ccc(C(=[NH2+])NO)c(F)c1)c1ccccc1 ZINC001229079856 932089472 /nfs/dbraw/zinc/08/94/72/932089472.db2.gz BTILZBAZUYLBSB-HNNXBMFYSA-N 1 1 286.306 3.436 20 30 CGEDMO C=CCOc1ccccc1O[C@@H]1CC[N@H+](C(C)C)C1 ZINC001229611837 932177825 /nfs/dbraw/zinc/17/78/25/932177825.db2.gz MYWFJDGQTOZAAB-CQSZACIVSA-N 1 1 261.365 3.113 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H](Oc2ccccc2CC#N)C1 ZINC001230275669 932551745 /nfs/dbraw/zinc/55/17/45/932551745.db2.gz DJFLIFCERLXMOD-OAHLLOKOSA-N 1 1 258.365 3.004 20 30 CGEDMO C=CCCC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC(=C)C)CC1 ZINC001230534016 932585012 /nfs/dbraw/zinc/58/50/12/932585012.db2.gz YUEKNVIOOSRSJY-KRWDZBQOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC(=O)N1CCC([C@H]2CCC[N@@H+]2CCC)CC1 ZINC001230537129 932585452 /nfs/dbraw/zinc/58/54/52/932585452.db2.gz BVTNDSWTNRZSQK-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@H]1CC=CCC1 ZINC001316600281 932745741 /nfs/dbraw/zinc/74/57/41/932745741.db2.gz IDYNLNRKPBWLSS-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C=C)c1ccccc1 ZINC001316608568 932748126 /nfs/dbraw/zinc/74/81/26/932748126.db2.gz HFQQRMDHFARIQQ-MSOLQXFVSA-N 1 1 298.430 3.065 20 30 CGEDMO C=CC[C@@H]([NH2+]C[C@H](C)C1CCCCC1)C(=O)OCC ZINC001462186338 937623458 /nfs/dbraw/zinc/62/34/58/937623458.db2.gz CRZKITATQLHBPT-DZGCQCFKSA-N 1 1 267.413 3.300 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCNC(=O)C[C@@H]1CCC[C@@H]1C ZINC001316826951 932761465 /nfs/dbraw/zinc/76/14/65/932761465.db2.gz VROZCELYVZQIHV-JSGCOSHPSA-N 1 1 286.847 3.003 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCNC(=O)C[C@@H]1CCC[C@@H]1C ZINC001316826951 932761469 /nfs/dbraw/zinc/76/14/69/932761469.db2.gz VROZCELYVZQIHV-JSGCOSHPSA-N 1 1 286.847 3.003 20 30 CGEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)CCCCC(C)(C)C)C1 ZINC001491930569 932798632 /nfs/dbraw/zinc/79/86/32/932798632.db2.gz ZSXRIMVVIXYHJY-MRXNPFEDSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C1CC(C)(C(=O)NCC[N@@H+](C)CCCC(C)(C)C)C1 ZINC001492406815 932818079 /nfs/dbraw/zinc/81/80/79/932818079.db2.gz KGHPUWGWGFSGEN-UHFFFAOYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2(CC)CCC2)[C@H]1CC ZINC001316736185 932863470 /nfs/dbraw/zinc/86/34/70/932863470.db2.gz DAJTWYHTNXJPGV-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO CO[C@]1(C)C[C@@H]([N@@H+](C)CCc2ccc(C#N)cc2)C1(C)C ZINC001307494609 932961988 /nfs/dbraw/zinc/96/19/88/932961988.db2.gz VPPXZVZMCJGSHI-SJLPKXTDSA-N 1 1 286.419 3.236 20 30 CGEDMO C#CC[N@@H+](C/C=C/c1ccc(F)cc1F)C1CSC1 ZINC001462516874 937646632 /nfs/dbraw/zinc/64/66/32/937646632.db2.gz FOCYHWYYLOVAOL-ONEGZZNKSA-N 1 1 279.355 3.029 20 30 CGEDMO C#CC[N@H+](C/C=C/c1ccc(F)cc1F)C1CSC1 ZINC001462516874 937646633 /nfs/dbraw/zinc/64/66/33/937646633.db2.gz FOCYHWYYLOVAOL-ONEGZZNKSA-N 1 1 279.355 3.029 20 30 CGEDMO Cc1ccccc1C1([NH2+]Cc2cc(C#N)ccn2)CC1 ZINC001307870009 933010898 /nfs/dbraw/zinc/01/08/98/933010898.db2.gz WWDAXFKUVMQBTL-UHFFFAOYSA-N 1 1 263.344 3.041 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC001307877957 933013859 /nfs/dbraw/zinc/01/38/59/933013859.db2.gz NANUEORGWPLTGY-ABAIWWIYSA-N 1 1 298.213 3.372 20 30 CGEDMO C=C(CC)C[N@H+]1[C@H](C)CC[C@@H]1C(=O)OC(C)(C)C ZINC001307904487 933016335 /nfs/dbraw/zinc/01/63/35/933016335.db2.gz BUKNMIDLQATOCG-CHWSQXEVSA-N 1 1 253.386 3.147 20 30 CGEDMO CC#CC[NH2+]C1(c2ccccc2Br)CCC1 ZINC001307896946 933017283 /nfs/dbraw/zinc/01/72/83/933017283.db2.gz IWFUWFMOTWARQI-UHFFFAOYSA-N 1 1 278.193 3.441 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](CCCn2c3ccccc3[nH]c2=O)C1 ZINC001307914577 933018738 /nfs/dbraw/zinc/01/87/38/933018738.db2.gz HYGQGBZCUUEXHJ-HNNXBMFYSA-N 1 1 299.418 3.420 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](CC(=O)NCCCC2CCCCC2)C1 ZINC001307960630 933027464 /nfs/dbraw/zinc/02/74/64/933027464.db2.gz ATVDHWLJFJAZSX-KRWDZBQOSA-N 1 1 292.467 3.361 20 30 CGEDMO C[C@H](c1ccc2c(c1)CCC2)[N@@H+]1CCC[C@@H](C#N)C1 ZINC001308064097 933042816 /nfs/dbraw/zinc/04/28/16/933042816.db2.gz MFHAJSKWXLXDKN-KGLIPLIRSA-N 1 1 254.377 3.472 20 30 CGEDMO C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CCC[C@@H](C#N)C1 ZINC001308064097 933042818 /nfs/dbraw/zinc/04/28/18/933042818.db2.gz MFHAJSKWXLXDKN-KGLIPLIRSA-N 1 1 254.377 3.472 20 30 CGEDMO C#CC[N@@H+](CCCC#N)[C@H]1CCCc2ccccc21 ZINC001308104307 933049774 /nfs/dbraw/zinc/04/97/74/933049774.db2.gz QGQWTXWFGRRESZ-KRWDZBQOSA-N 1 1 252.361 3.303 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H]1CCc2ccccc2NC1=O ZINC001308134144 933054651 /nfs/dbraw/zinc/05/46/51/933054651.db2.gz NCDHEYWSOQQJOJ-INIZCTEOSA-N 1 1 272.392 3.228 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1C[C@H](O)COc1cc(C)ccc1Cl ZINC001308140940 933056144 /nfs/dbraw/zinc/05/61/44/933056144.db2.gz NOHNDQPTHCPZIW-KGLIPLIRSA-N 1 1 295.810 3.039 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1CCOc1ccccc1OCC ZINC001308141074 933056909 /nfs/dbraw/zinc/05/69/09/933056909.db2.gz PFTKEKBSUJADDT-AWEZNQCLSA-N 1 1 261.365 3.115 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCCC[C@H]1Cc1ccc(O)cc1 ZINC001308149334 933057819 /nfs/dbraw/zinc/05/78/19/933057819.db2.gz KVUFZUSZRAWXSM-FUHWJXTLSA-N 1 1 289.419 3.116 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001308159078 933060953 /nfs/dbraw/zinc/06/09/53/933060953.db2.gz GXCKIIMRYHAKIC-SJORKVTESA-N 1 1 288.366 3.231 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001308159078 933060955 /nfs/dbraw/zinc/06/09/55/933060955.db2.gz GXCKIIMRYHAKIC-SJORKVTESA-N 1 1 288.366 3.231 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cs1)Cc1ccc(O)c(F)c1 ZINC001462616783 937654132 /nfs/dbraw/zinc/65/41/32/937654132.db2.gz KHRBWHJOYFAKBR-UHFFFAOYSA-N 1 1 276.336 3.096 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1ccc(O)c(F)c1 ZINC001462616783 937654136 /nfs/dbraw/zinc/65/41/36/937654136.db2.gz KHRBWHJOYFAKBR-UHFFFAOYSA-N 1 1 276.336 3.096 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CCCO2)c1F ZINC001308160303 933061890 /nfs/dbraw/zinc/06/18/90/933061890.db2.gz NLFVTNCLTOKIPZ-HZPDHXFCSA-N 1 1 288.366 3.231 20 30 CGEDMO C=CC[NH+](CC=C)[C@H](CNCc1cc(C)ns1)C(C)C ZINC001308198014 933070165 /nfs/dbraw/zinc/07/01/65/933070165.db2.gz RKEZVOXQVQHTJS-MRXNPFEDSA-N 1 1 293.480 3.240 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1ccc(-c2cc[nH]n2)o1 ZINC001462632607 937655555 /nfs/dbraw/zinc/65/55/55/937655555.db2.gz DLNVZJZBVJEGJB-UHFFFAOYSA-N 1 1 259.353 3.458 20 30 CGEDMO CC[C@H](C)C[N@@H+](CC)Cc1cc(C#N)ccc1N(C)C ZINC001308582363 933136853 /nfs/dbraw/zinc/13/68/53/933136853.db2.gz IXNLQKSVGCYDLF-AWEZNQCLSA-N 1 1 273.424 3.492 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)CC(CC)(CC)CNC(=O)OC(C)(C)C ZINC001308724691 933165518 /nfs/dbraw/zinc/16/55/18/933165518.db2.gz PHBQGYDKKMBDNE-CQSZACIVSA-N 1 1 296.455 3.271 20 30 CGEDMO C#CC[N@@H+](Cc1c(C)ccc(Br)c1F)C1CC1 ZINC001308773116 933174225 /nfs/dbraw/zinc/17/42/25/933174225.db2.gz FYNJFFOBGMAEFB-UHFFFAOYSA-N 1 1 296.183 3.494 20 30 CGEDMO C#CC[N@H+](Cc1c(C)ccc(Br)c1F)C1CC1 ZINC001308773116 933174228 /nfs/dbraw/zinc/17/42/28/933174228.db2.gz FYNJFFOBGMAEFB-UHFFFAOYSA-N 1 1 296.183 3.494 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2cccc3c2NCCC3)C1 ZINC001308880149 933195965 /nfs/dbraw/zinc/19/59/65/933195965.db2.gz HJIQWKHPUDNPOX-CQSZACIVSA-N 1 1 256.393 3.443 20 30 CGEDMO C=C(C)C[C@H]([NH2+]CCCC1CCCCC1)C(=O)OC ZINC001308901729 933199268 /nfs/dbraw/zinc/19/92/68/933199268.db2.gz MPPORDYIPZLDTG-HNNXBMFYSA-N 1 1 267.413 3.444 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC001308938644 933207580 /nfs/dbraw/zinc/20/75/80/933207580.db2.gz OSQUYATVKFJMSV-UXHICEINSA-N 1 1 273.379 3.312 20 30 CGEDMO C#CC[N@H+](Cc1cc(Cl)c(F)cc1O)C(C)C ZINC001308965556 933214427 /nfs/dbraw/zinc/21/44/27/933214427.db2.gz QRFFJNLRLXJMFU-UHFFFAOYSA-N 1 1 255.720 3.028 20 30 CGEDMO C#CC[N@@H+](Cc1cc(Cl)c(F)cc1O)C(C)C ZINC001308965556 933214434 /nfs/dbraw/zinc/21/44/34/933214434.db2.gz QRFFJNLRLXJMFU-UHFFFAOYSA-N 1 1 255.720 3.028 20 30 CGEDMO CCCCCCCCCNC(=O)N1CC[C@@H]([N@@H+](C)CC)C1 ZINC001311550579 933303176 /nfs/dbraw/zinc/30/31/76/933303176.db2.gz AYWHBCGTYHXAMN-MRXNPFEDSA-N 1 1 297.487 3.473 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)CC2=CCCCC2)C1 ZINC001316974517 933462009 /nfs/dbraw/zinc/46/20/09/933462009.db2.gz RZZOYYJCVNERCF-RDJZCZTQSA-N 1 1 290.451 3.422 20 30 CGEDMO CCCCCCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C1CC1 ZINC001328706649 933462517 /nfs/dbraw/zinc/46/25/17/933462517.db2.gz YYDNRJYQKNSONC-INIZCTEOSA-N 1 1 280.456 3.290 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCC[N@H+](CCCC(C)C)C1 ZINC001317127856 933472149 /nfs/dbraw/zinc/47/21/49/933472149.db2.gz JHHPLTHVBJKODE-INIZCTEOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)/C(C)=C/CC)[C@H]1CC ZINC001316730549 933477122 /nfs/dbraw/zinc/47/71/22/933477122.db2.gz WKBWOFMNRXXHGX-WANXEPPHSA-N 1 1 284.831 3.064 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)/C(C)=C/CC)[C@H]1CC ZINC001316730549 933477128 /nfs/dbraw/zinc/47/71/28/933477128.db2.gz WKBWOFMNRXXHGX-WANXEPPHSA-N 1 1 284.831 3.064 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)/C(C)=C\CC)[C@H]1CC ZINC001316730547 933477602 /nfs/dbraw/zinc/47/76/02/933477602.db2.gz WKBWOFMNRXXHGX-AKXMXHFNSA-N 1 1 284.831 3.064 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)/C(C)=C\CC)[C@H]1CC ZINC001316730547 933477603 /nfs/dbraw/zinc/47/76/03/933477603.db2.gz WKBWOFMNRXXHGX-AKXMXHFNSA-N 1 1 284.831 3.064 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@H+](C[C@@H](C)CC)C1 ZINC001316943907 933500002 /nfs/dbraw/zinc/50/00/02/933500002.db2.gz IUKLPZIBMKKAKG-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)CCC2CC2)C1 ZINC001317033980 933516669 /nfs/dbraw/zinc/51/66/69/933516669.db2.gz QZNLWXXZWZAYPX-QGZVFWFLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC2CC2)C1 ZINC001317100211 933531575 /nfs/dbraw/zinc/53/15/75/933531575.db2.gz HHTOFYPRGYESQQ-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)/C=C(/C)CC)C1 ZINC001317129779 933537820 /nfs/dbraw/zinc/53/78/20/933537820.db2.gz CDHHFJQOHIGUSJ-QZFKAFNDSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)CC[C@@H](C)CC)C1 ZINC001317138133 933541217 /nfs/dbraw/zinc/54/12/17/933541217.db2.gz AXNYZICSXNKWCV-HOTGVXAUSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1CCCNC(=O)/C=C(/C)CC ZINC001317422287 933591536 /nfs/dbraw/zinc/59/15/36/933591536.db2.gz SBBMZXJZLXCNBS-BMOGTNHUSA-N 1 1 298.858 3.456 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](CNC(=O)/C=C(/C)CC)C1 ZINC001317521122 933609191 /nfs/dbraw/zinc/60/91/91/933609191.db2.gz BHSIHAKUDDMTLQ-WPTSLCKYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](CNC(=O)CC2CCCC2)C1 ZINC001317517166 933610729 /nfs/dbraw/zinc/61/07/29/933610729.db2.gz KMCBFAAJRHDKDY-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001317528993 933612116 /nfs/dbraw/zinc/61/21/16/933612116.db2.gz UOTMAYZJQPPBAY-CQSZACIVSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H](CCC)C(C)C)C1 ZINC001317529625 933613185 /nfs/dbraw/zinc/61/31/85/933613185.db2.gz PPFZXNOULFUQCO-JKSUJKDBSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)[C@H]1CCCC[C@H]1C1CC1 ZINC001317542668 933615733 /nfs/dbraw/zinc/61/57/33/933615733.db2.gz HFWPXVMXNBRJFN-IRXDYDNUSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)[C@H]1CC[C@H](CC)CC1)C1CC1 ZINC001317558030 933619419 /nfs/dbraw/zinc/61/94/19/933619419.db2.gz BMCZZBMKXFGNPH-WKILWMFISA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)c1ccc(F)cc1C)C(C)C ZINC001317709423 933636308 /nfs/dbraw/zinc/63/63/08/933636308.db2.gz NRXTYFZAFDGRTJ-UHFFFAOYSA-N 1 1 292.398 3.150 20 30 CGEDMO C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCCCC ZINC001317733156 933640745 /nfs/dbraw/zinc/64/07/45/933640745.db2.gz QSUOVENLIOGPGI-IYBDPMFKSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC23CCC3)C1 ZINC001317766617 933647332 /nfs/dbraw/zinc/64/73/32/933647332.db2.gz GKSDPEWMFRWKSN-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001317809100 933654030 /nfs/dbraw/zinc/65/40/30/933654030.db2.gz LKMVIEZLQJPQGG-ULQDDVLXSA-N 1 1 292.467 3.217 20 30 CGEDMO C#CCCCCC(=O)N1CC[C@@H](C[N@H+](C)CCC(C)C)C1 ZINC001317833513 933656860 /nfs/dbraw/zinc/65/68/60/933656860.db2.gz SDYWHINCTMBERU-KRWDZBQOSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)/C=C/C(C)(C)C)C1 ZINC001318320563 933708916 /nfs/dbraw/zinc/70/89/16/933708916.db2.gz GYXKZODKHQVVMR-IANUHJRKSA-N 1 1 278.440 3.134 20 30 CGEDMO C#CCCCCC(=O)N(C)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001318401073 933719043 /nfs/dbraw/zinc/71/90/43/933719043.db2.gz ZCVVODVOYNQRLW-MRXNPFEDSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)C(CC)CC)C1 ZINC001318411421 933720910 /nfs/dbraw/zinc/72/09/10/933720910.db2.gz DFSBCBFFOZZPPL-GDBMZVCRSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCOc1ccc(CN[C@H]2CCCC[C@@H]2[NH+](C)C)cc1 ZINC001318411405 933721218 /nfs/dbraw/zinc/72/12/18/933721218.db2.gz UEVLGKPOIOAVGP-ROUUACIJSA-N 1 1 288.435 3.214 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC2(C1)CCN(C(C)=O)CC2 ZINC001319133783 933832519 /nfs/dbraw/zinc/83/25/19/933832519.db2.gz FLJCHSDUKXPPHN-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)C[C@@H]1CCCC[C@@H]1C ZINC001467727612 937721372 /nfs/dbraw/zinc/72/13/72/937721372.db2.gz MYEGIAVLUSQUIL-HOTGVXAUSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCCCCCCNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001468701027 937731060 /nfs/dbraw/zinc/73/10/60/937731060.db2.gz QTGGOOFMBLLSJQ-KRWDZBQOSA-N 1 1 278.440 3.115 20 30 CGEDMO C=CCC[C@H]1CCCN1C(=O)NCC[N@H+](C)C1CCCC1 ZINC001468697848 937731081 /nfs/dbraw/zinc/73/10/81/937731081.db2.gz LMWLZTFIKZCYNH-INIZCTEOSA-N 1 1 293.455 3.001 20 30 CGEDMO C=C(C)CCC(=O)N1CCC(CC[N@H+](C)CCC)CC1 ZINC001319879527 933950169 /nfs/dbraw/zinc/95/01/69/933950169.db2.gz GEORWZBGXAIUJP-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)[C@](C)(CC)CCC ZINC001320068282 933993506 /nfs/dbraw/zinc/99/35/06/933993506.db2.gz YHEKONSFHNEMPK-MRXNPFEDSA-N 1 1 268.445 3.169 20 30 CGEDMO C#CC[N@@H+](CC)CCc1ccc(OC(F)(F)F)cc1 ZINC001319909638 933956851 /nfs/dbraw/zinc/95/68/51/933956851.db2.gz MTPLOHQBBJGPIX-UHFFFAOYSA-N 1 1 271.282 3.083 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cccc(OC(C)(C)C)n2)C1 ZINC001320038789 933985763 /nfs/dbraw/zinc/98/57/63/933985763.db2.gz DHSUORYUVQIZCH-OAHLLOKOSA-N 1 1 290.407 3.036 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)c1cc(F)cc(Cl)c1 ZINC001320054427 933988382 /nfs/dbraw/zinc/98/83/82/933988382.db2.gz HGJLPOQGPVKDRW-UHFFFAOYSA-N 1 1 298.789 3.059 20 30 CGEDMO COc1ccccc1C1([NH2+]Cc2ccc(C#N)o2)CCC1 ZINC001320082437 933995408 /nfs/dbraw/zinc/99/54/08/933995408.db2.gz ZVZDBFPXTSOEHX-UHFFFAOYSA-N 1 1 282.343 3.329 20 30 CGEDMO C=C/C(C)=C\CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CC(=C)C)C1 ZINC001320105002 934001160 /nfs/dbraw/zinc/00/11/60/934001160.db2.gz VSSXVWIFRXDJKE-AKLXSSKXSA-N 1 1 288.435 3.008 20 30 CGEDMO CCCCCCCCNC(=O)N1CC[N@@H+](CC)C[C@H]1CC ZINC001469424884 937739159 /nfs/dbraw/zinc/73/91/59/937739159.db2.gz WTOKUPFKPKESAM-MRXNPFEDSA-N 1 1 297.487 3.473 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccccc2OC)o1 ZINC001321059501 934145175 /nfs/dbraw/zinc/14/51/75/934145175.db2.gz BHEICEPSQQRVKO-CYBMUJFWSA-N 1 1 299.374 3.286 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccccc2OC)o1 ZINC001321059501 934145178 /nfs/dbraw/zinc/14/51/78/934145178.db2.gz BHEICEPSQQRVKO-CYBMUJFWSA-N 1 1 299.374 3.286 20 30 CGEDMO COc1ccccc1CO[NH+]=Cc1ccc(N)c(Cl)c1 ZINC001321199995 934161187 /nfs/dbraw/zinc/16/11/87/934161187.db2.gz SWRPOQXPOXSQMG-UHFFFAOYSA-N 1 1 290.750 3.482 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)CC(C)C ZINC001322272866 934267987 /nfs/dbraw/zinc/26/79/87/934267987.db2.gz BTTUDNURAULLBC-OAHLLOKOSA-N 1 1 282.472 3.461 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)c1ccc(CC)cc1 ZINC001322284595 934271297 /nfs/dbraw/zinc/27/12/97/934271297.db2.gz CTFRUCLWGMKIQS-HNNXBMFYSA-N 1 1 288.435 3.265 20 30 CGEDMO C=CCCC1(CNC(=O)NCC[N@H+](C)C(C)C)CCCC1 ZINC001470790878 937758045 /nfs/dbraw/zinc/75/80/45/937758045.db2.gz RNGVYVGNJSHNOZ-UHFFFAOYSA-N 1 1 295.471 3.152 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CC[N@H+]2CC2CCCC2)CCC1 ZINC001323303645 934383943 /nfs/dbraw/zinc/38/39/43/934383943.db2.gz TVECRTDDKUMJFF-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@H](C)CC)C2)C1 ZINC001323800649 934427908 /nfs/dbraw/zinc/42/79/08/934427908.db2.gz AYMRZJNPMPUHIJ-SJLPKXTDSA-N 1 1 292.467 3.313 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)n1 ZINC001323935584 934441048 /nfs/dbraw/zinc/44/10/48/934441048.db2.gz IVBCPQASICDSOW-VXGBXAGGSA-N 1 1 261.394 3.027 20 30 CGEDMO N#Cc1csc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)n1 ZINC001323935584 934441053 /nfs/dbraw/zinc/44/10/53/934441053.db2.gz IVBCPQASICDSOW-VXGBXAGGSA-N 1 1 261.394 3.027 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC001323965730 934445081 /nfs/dbraw/zinc/44/50/81/934445081.db2.gz PQEAEVNDSZUFSA-NQHOJNORSA-N 1 1 279.330 3.255 20 30 CGEDMO C=C[C@@H](COC)[NH2+]Cc1cc(Cl)c(OC)cc1Cl ZINC001324015656 934450199 /nfs/dbraw/zinc/45/01/99/934450199.db2.gz PPPOGZQRFDXBNK-JTQLQIEISA-N 1 1 290.190 3.293 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2conc2Cc2ccccc2)C1 ZINC001324338110 934489085 /nfs/dbraw/zinc/48/90/85/934489085.db2.gz ZCOPIPQJOQFSCH-QGZVFWFLSA-N 1 1 298.386 3.042 20 30 CGEDMO C#CCC[N@@H+]1CC[C@](C)(NC(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001324647820 934539016 /nfs/dbraw/zinc/53/90/16/934539016.db2.gz RFOANOHYKBNJMJ-YJBOKZPZSA-N 1 1 292.467 3.053 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@](C)(NC(=O)C[C@H](C)CCCCC)C1 ZINC001324655372 934541217 /nfs/dbraw/zinc/54/12/17/934541217.db2.gz BWLKIEPDEXNEQO-SJLPKXTDSA-N 1 1 292.467 3.197 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)C[C@@H]1CCCC12CCOCC2 ZINC001473179126 937795683 /nfs/dbraw/zinc/79/56/83/937795683.db2.gz OWQYNGUPNYGGKL-INIZCTEOSA-N 1 1 278.440 3.455 20 30 CGEDMO C=CC[C@H](C(=O)OC)[N@H+]1CC=C(c2cccc(C)c2)CC1 ZINC001473310682 937801185 /nfs/dbraw/zinc/80/11/85/937801185.db2.gz RHHMVUQBHZWYQM-QGZVFWFLSA-N 1 1 285.387 3.202 20 30 CGEDMO C=CC[C@H](C(=O)OC)[N@@H+]1CC=C(c2cccc(C)c2)CC1 ZINC001473310682 937801187 /nfs/dbraw/zinc/80/11/87/937801187.db2.gz RHHMVUQBHZWYQM-QGZVFWFLSA-N 1 1 285.387 3.202 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC001473454749 937807835 /nfs/dbraw/zinc/80/78/35/937807835.db2.gz UMZPQNJFFUSOCR-OKZBNKHCSA-N 1 1 269.388 3.079 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@](C)(CNC(=O)/C=C(\C)CC)C1 ZINC001324937627 934873782 /nfs/dbraw/zinc/87/37/82/934873782.db2.gz YIXJKHFNBJGFIU-WQMJKPAKSA-N 1 1 298.858 3.314 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)/C=C(\C)CC)C1 ZINC001324937627 934873787 /nfs/dbraw/zinc/87/37/87/934873787.db2.gz YIXJKHFNBJGFIU-WQMJKPAKSA-N 1 1 298.858 3.314 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)C=C2CCC2)C1 ZINC001324929852 934874410 /nfs/dbraw/zinc/87/44/10/934874410.db2.gz XABCTPYSPZRKHK-SFHVURJKSA-N 1 1 290.451 3.281 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](CC2([C@@H]3CCCCO3)CCC2)C1 ZINC001473581303 937812778 /nfs/dbraw/zinc/81/27/78/937812778.db2.gz KMUGBLMYMSILLC-IRXDYDNUSA-N 1 1 275.436 3.461 20 30 CGEDMO CC#CC[N@@H+](C)C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001473509356 937809608 /nfs/dbraw/zinc/80/96/08/937809608.db2.gz CGJIBWKCOWISIL-DZGCQCFKSA-N 1 1 297.320 3.124 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](C[C@@H](O)CCCCCC)C1 ZINC001473582475 937812560 /nfs/dbraw/zinc/81/25/60/937812560.db2.gz XDGSCEUWUJHMPP-CVEARBPZSA-N 1 1 251.414 3.053 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC1 ZINC001325878177 934936968 /nfs/dbraw/zinc/93/69/68/934936968.db2.gz XATXKVUNTQRFLM-IAGOWNOFSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C/C=C(/C)C=C ZINC001325899070 934938160 /nfs/dbraw/zinc/93/81/60/934938160.db2.gz NXSGAFIPCWJIMY-CBNFBOEASA-N 1 1 288.435 3.150 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@@H](CO)Cc1ccccc1 ZINC001473636228 937814812 /nfs/dbraw/zinc/81/48/12/937814812.db2.gz QFBWPZLEGWTKMT-QGZVFWFLSA-N 1 1 263.425 3.492 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C2CC(C)(C)C2)CC1 ZINC001327115421 935031770 /nfs/dbraw/zinc/03/17/70/935031770.db2.gz RDHZZIVJIHVKLN-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+](C)CCCN(C)C(=O)c1ccc(C)c(Cl)c1 ZINC001327258692 935048090 /nfs/dbraw/zinc/04/80/90/935048090.db2.gz ULFKEPIKELOIJH-UHFFFAOYSA-N 1 1 294.826 3.228 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@]2(CC[N@H+](CCCC)C2)C1 ZINC001327532351 935067417 /nfs/dbraw/zinc/06/74/17/935067417.db2.gz WISDEVIVBGJYKC-SFHVURJKSA-N 1 1 292.467 3.457 20 30 CGEDMO CC[N@H+]1CCC[C@@H](CNc2ccc(C#N)c(Cl)c2)C1 ZINC001327617032 935074753 /nfs/dbraw/zinc/07/47/53/935074753.db2.gz OTTIWPIFVLLDEE-LBPRGKRZSA-N 1 1 277.799 3.355 20 30 CGEDMO CC[N@H+]1CCC[C@@H](CNc2ccc(Cl)cc2C#N)C1 ZINC001327642940 935075342 /nfs/dbraw/zinc/07/53/42/935075342.db2.gz MCQYMGZCVRKTFY-LBPRGKRZSA-N 1 1 277.799 3.355 20 30 CGEDMO C=CCCC(=O)NCc1ccc2c(c1)C[N@@H+](CCC=C)C2 ZINC001327683351 935077131 /nfs/dbraw/zinc/07/71/31/935077131.db2.gz ZOKYNSWFDQUPCB-UHFFFAOYSA-N 1 1 284.403 3.161 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC001328109038 935117576 /nfs/dbraw/zinc/11/75/76/935117576.db2.gz WQRDKKHSXDZQCJ-QWNKOJSDSA-N 1 1 286.419 3.043 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC001328216267 935124473 /nfs/dbraw/zinc/12/44/73/935124473.db2.gz SKVTWRINRYKWOV-CYBMUJFWSA-N 1 1 259.340 3.089 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)/C=C/C(C)(C)C)C[C@H]1C ZINC001328240916 935126843 /nfs/dbraw/zinc/12/68/43/935126843.db2.gz JYXHFZQSWKYJAD-SUMGSTKGSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C(C)(C)C=C ZINC001328469131 935141544 /nfs/dbraw/zinc/14/15/44/935141544.db2.gz PLFLYDYMVITNCA-KRWDZBQOSA-N 1 1 298.430 3.100 20 30 CGEDMO C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C(C)(C)C=C ZINC001328469131 935141546 /nfs/dbraw/zinc/14/15/46/935141546.db2.gz PLFLYDYMVITNCA-KRWDZBQOSA-N 1 1 298.430 3.100 20 30 CGEDMO CCOc1ccc(C[N@@H+](C)[C@@H](C)CCC#N)cc1OC ZINC001328597969 935150824 /nfs/dbraw/zinc/15/08/24/935150824.db2.gz KNKLZCYMKLRYBC-ZDUSSCGKSA-N 1 1 276.380 3.218 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)c1cc(Cl)ccc1C ZINC001329576123 935229461 /nfs/dbraw/zinc/22/94/61/935229461.db2.gz GRSCIPMFDZIDCL-CYBMUJFWSA-N 1 1 294.826 3.275 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)c1c(C)cccc1F ZINC001329628401 935235579 /nfs/dbraw/zinc/23/55/79/935235579.db2.gz QPTHSEWSTYFEED-AWEZNQCLSA-N 1 1 292.398 3.150 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@](C)(C=C)CC ZINC001329937076 935255709 /nfs/dbraw/zinc/25/57/09/935255709.db2.gz KSDOFIQJJXBRNQ-RDJZCZTQSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)/C=C(/C)C2CC2)C(C)(C)C1 ZINC001330175620 935273380 /nfs/dbraw/zinc/27/33/80/935273380.db2.gz KRXJIZIWSSRHHM-QBOMHBFWSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cc3c(cccc3C)[nH]2)C1 ZINC001330252963 935281474 /nfs/dbraw/zinc/28/14/74/935281474.db2.gz MTSXFRUDEVAHGM-OAHLLOKOSA-N 1 1 270.376 3.253 20 30 CGEDMO C=CCCC[N@@H+]1CCCC2(CN(C(=O)C[C@@H](C)CC)C2)C1 ZINC001330486996 935290975 /nfs/dbraw/zinc/29/09/75/935290975.db2.gz TWIWDENLJANFMS-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)c2ccoc2)CC1 ZINC001331000136 935340865 /nfs/dbraw/zinc/34/08/65/935340865.db2.gz LTDOLNMZYWCFME-AWEZNQCLSA-N 1 1 290.407 3.171 20 30 CGEDMO C=CCCCC(=O)N[C@]12CCC[C@@H]1[N@@H+](CCCC=C)CC2 ZINC001332110309 935440739 /nfs/dbraw/zinc/44/07/39/935440739.db2.gz IMLGWXTVFPXSDC-WMZOPIPTSA-N 1 1 290.451 3.422 20 30 CGEDMO C#CCCCC(=O)N[C@H]1CCC[N@@H+](CCC(C)(C)C)[C@@H]1C ZINC001332180777 935446089 /nfs/dbraw/zinc/44/60/89/935446089.db2.gz YNYPSGINSBSOSS-CVEARBPZSA-N 1 1 292.467 3.195 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCCC23CCCCC3)c1 ZINC001332695366 935481816 /nfs/dbraw/zinc/48/18/16/935481816.db2.gz NSIXCQVKDQIRIT-UHFFFAOYSA-N 1 1 255.365 3.252 20 30 CGEDMO CC#CC[N@@H+](C)CCN(C(=O)C[C@H](C)CC(C)C)C(C)C ZINC001332735429 935486368 /nfs/dbraw/zinc/48/63/68/935486368.db2.gz ODSMTZGVHHGOFO-QGZVFWFLSA-N 1 1 294.483 3.251 20 30 CGEDMO C[C@H]1CC[N@@H+](CC2CCC(C#N)CC2)CCS1 ZINC001333484930 935540272 /nfs/dbraw/zinc/54/02/72/935540272.db2.gz SFJPFVJTFUUWJT-HSBZDZAISA-N 1 1 252.427 3.144 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](CN2C[C@@H](c3ccccc3)CC2=O)C1 ZINC001333711317 936058395 /nfs/dbraw/zinc/05/83/95/936058395.db2.gz ZFXPGGFLMCVMSG-AEFFLSMTSA-N 1 1 298.430 3.248 20 30 CGEDMO CS[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC001337042828 936233799 /nfs/dbraw/zinc/23/37/99/936233799.db2.gz SUPKMJDNTKBKTM-WDEREUQCSA-N 1 1 266.435 3.336 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]2CC[C@]21CNC(=O)OC(C)(C)C ZINC001473835481 937823968 /nfs/dbraw/zinc/82/39/68/937823968.db2.gz IXJNGEXADJGXDU-YOEHRIQHSA-N 1 1 294.439 3.332 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1ncn(-c2ccccc2)n1 ZINC001473857046 937825123 /nfs/dbraw/zinc/82/51/23/937825123.db2.gz AWSVZTTYGJOYPK-HNNXBMFYSA-N 1 1 282.391 3.198 20 30 CGEDMO C=CCC[C@H]1CCC[N@H+]1Cc1ncn(-c2ccccc2)n1 ZINC001473857046 937825125 /nfs/dbraw/zinc/82/51/25/937825125.db2.gz AWSVZTTYGJOYPK-HNNXBMFYSA-N 1 1 282.391 3.198 20 30 CGEDMO C=CCC[C@@H]1CCC[N@H+]1CCC(=O)N1CCc2ccccc21 ZINC001473854950 937825245 /nfs/dbraw/zinc/82/52/45/937825245.db2.gz OZCSFATXRIUVSY-QGZVFWFLSA-N 1 1 298.430 3.396 20 30 CGEDMO C=CC[C@H](C)[N@H+]1C2CCC1(CNC(=O)OC(C)(C)C)CC2 ZINC001473874708 937826504 /nfs/dbraw/zinc/82/65/04/937826504.db2.gz DQPJFDWTUMWWDB-CBCUQQMYSA-N 1 1 294.439 3.473 20 30 CGEDMO CC(C)c1ccc2c(c1)CC[N@@H+](CC1(C#N)CC1)C2 ZINC001473904859 937829015 /nfs/dbraw/zinc/82/90/15/937829015.db2.gz KSHQHIJGPUYBBR-UHFFFAOYSA-N 1 1 254.377 3.472 20 30 CGEDMO CC(C)c1ccc2c(c1)CC[N@H+](CC1(C#N)CC1)C2 ZINC001473904859 937829017 /nfs/dbraw/zinc/82/90/17/937829017.db2.gz KSHQHIJGPUYBBR-UHFFFAOYSA-N 1 1 254.377 3.472 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2csc(C(F)(F)F)c2)nc1 ZINC001474168269 937842434 /nfs/dbraw/zinc/84/24/34/937842434.db2.gz XXIBWNRYRZCSFJ-UHFFFAOYSA-N 1 1 297.305 3.323 20 30 CGEDMO C#CC[N@H+](C)CCCNCc1cc2cc(C)c(C)cc2o1 ZINC001474164912 937842703 /nfs/dbraw/zinc/84/27/03/937842703.db2.gz UWPKVVQCVUEKSF-UHFFFAOYSA-N 1 1 284.403 3.094 20 30 CGEDMO C#CC[N@@H+](C)CCCNCc1cc2cc(C)c(C)cc2o1 ZINC001474164912 937842705 /nfs/dbraw/zinc/84/27/05/937842705.db2.gz UWPKVVQCVUEKSF-UHFFFAOYSA-N 1 1 284.403 3.094 20 30 CGEDMO C#Cc1cccc(C[NH2+]Cc2c[nH]c(-c3ccccc3)n2)c1 ZINC001474178784 937842815 /nfs/dbraw/zinc/84/28/15/937842815.db2.gz SXQHGMYSEGTOKS-UHFFFAOYSA-N 1 1 287.366 3.348 20 30 CGEDMO C=CCC[C@@H]1CCCN1C(=O)NCCC[N@H+](C)CC(C)C ZINC001478918901 937913520 /nfs/dbraw/zinc/91/35/20/937913520.db2.gz IXGNQXFCDGQNCU-MRXNPFEDSA-N 1 1 295.471 3.105 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(CCC)CC1 ZINC001479245696 937918197 /nfs/dbraw/zinc/91/81/97/937918197.db2.gz PLWKVXIERMMRDM-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CC=C)c1ccccc1 ZINC001479272350 937918709 /nfs/dbraw/zinc/91/87/09/937918709.db2.gz UFTDBYLHNULRHR-QZTJIDSGSA-N 1 1 298.430 3.065 20 30 CGEDMO C=CC[C@@H](C(=O)N(C)C[C@H]1CC[N@H+]1CC=C)c1ccccc1 ZINC001479272350 937918711 /nfs/dbraw/zinc/91/87/11/937918711.db2.gz UFTDBYLHNULRHR-QZTJIDSGSA-N 1 1 298.430 3.065 20 30 CGEDMO C=CC[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CC=C)c1ccccc1 ZINC001479272353 937918793 /nfs/dbraw/zinc/91/87/93/937918793.db2.gz UFTDBYLHNULRHR-ZWKOTPCHSA-N 1 1 298.430 3.065 20 30 CGEDMO C=CC[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+]1CC=C)c1ccccc1 ZINC001479272353 937918794 /nfs/dbraw/zinc/91/87/94/937918794.db2.gz UFTDBYLHNULRHR-ZWKOTPCHSA-N 1 1 298.430 3.065 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@H+](CC/C=C/CCC)[C@@H]1C ZINC001479701029 937923982 /nfs/dbraw/zinc/92/39/82/937923982.db2.gz RFDZCFPFEYSFOD-USQNJUIBSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C(C)CCC(=O)N1CCCC[C@H]1C[N@H+](C)CC[C@@H](C)F ZINC001479734645 937924345 /nfs/dbraw/zinc/92/43/45/937924345.db2.gz HZJHFYCCFUZWNX-CVEARBPZSA-N 1 1 298.446 3.404 20 30 CGEDMO C#Cc1ccc(C(=O)N2CCCC[C@H]2C[N@H+](C)CCC)cc1 ZINC001479738249 937925042 /nfs/dbraw/zinc/92/50/42/937925042.db2.gz CQAGTEKZUKCUTN-SFHVURJKSA-N 1 1 298.430 3.004 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)C(C)(C)C(C)C ZINC001479845955 937927532 /nfs/dbraw/zinc/92/75/32/937927532.db2.gz QMDIDGSJDJTZST-UHFFFAOYSA-N 1 1 268.445 3.073 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)c1cccc(Cl)c1 ZINC001479859937 937927582 /nfs/dbraw/zinc/92/75/82/937927582.db2.gz NQHUCLMEQIJKAE-UHFFFAOYSA-N 1 1 294.826 3.358 20 30 CGEDMO C=C[C@@H](C(=O)N[C@@H]1CC[N@H+](CC=C(C)C)C1)c1ccccc1 ZINC001479971525 937930248 /nfs/dbraw/zinc/93/02/48/937930248.db2.gz BNXXXIUHBLAGRA-QZTJIDSGSA-N 1 1 298.430 3.113 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCCCC)C1 ZINC001480184314 937933736 /nfs/dbraw/zinc/93/37/36/937933736.db2.gz MQAHCVHMZUVMNT-SJORKVTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]2C[N@@H+](CCCCC)CC[C@@H]21 ZINC001480186607 937934044 /nfs/dbraw/zinc/93/40/44/937934044.db2.gz NZIDVPVYZRGWNM-IRXDYDNUSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)=C1CCC1 ZINC001480318081 937936328 /nfs/dbraw/zinc/93/63/28/937936328.db2.gz PNMCISBLTUFMDF-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)/C=C\C(C)(C)C ZINC001493087110 937947516 /nfs/dbraw/zinc/94/75/16/937947516.db2.gz ORMSGMFKLZXAPY-WOLCWHLNSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H](C)CCC)C1 ZINC001493943355 937952093 /nfs/dbraw/zinc/95/20/93/937952093.db2.gz YBQAGTJRHDGTGJ-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC2(C)C)C1 ZINC001494155436 937953677 /nfs/dbraw/zinc/95/36/77/937953677.db2.gz SSXSUCWJWKDAFP-JKSUJKDBSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@](C)(C=C)CC)C1 ZINC001494161761 937953693 /nfs/dbraw/zinc/95/36/93/937953693.db2.gz VCIOGEAYOHDBHO-AEFFLSMTSA-N 1 1 292.467 3.335 20 30 CGEDMO C=CCCC(=O)N[C@H]1CCC[N@@H+](CCC2=CCCCC2)C1 ZINC001494312355 937954172 /nfs/dbraw/zinc/95/41/72/937954172.db2.gz DOKFQYDWTBQMIZ-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CCC[NH+]1CC(NC(=O)C[C@H](C)CCC=C(C)C)C1 ZINC001494455555 937954941 /nfs/dbraw/zinc/95/49/41/937954941.db2.gz IDBAAFLISQHCHQ-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](CC)CCCC)C1 ZINC001494800208 937956384 /nfs/dbraw/zinc/95/63/84/937956384.db2.gz BROXEFIVVSPSDA-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@](C)(F)CCCC)C1 ZINC001494834645 937956540 /nfs/dbraw/zinc/95/65/40/937956540.db2.gz QWJNFNFKFAIZFY-HOCLYGCPSA-N 1 1 284.419 3.014 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)C2(CC(C)C)CCC2)C1 ZINC001494836239 937956630 /nfs/dbraw/zinc/95/66/30/937956630.db2.gz GRFJTULCQQQVPW-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](C=C)c2ccccc2)C1 ZINC001494870007 937957018 /nfs/dbraw/zinc/95/70/18/937957018.db2.gz XTAYXCPJMOCTQM-WMZOPIPTSA-N 1 1 298.430 3.065 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)CC(C)(C)C=C)C1 ZINC001494901424 937957430 /nfs/dbraw/zinc/95/74/30/937957430.db2.gz TXBAVMCFVDVIMJ-HNNXBMFYSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCC(=O)N(C)CC[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC001496673125 937963736 /nfs/dbraw/zinc/96/37/36/937963736.db2.gz XVIUPJZONWZAHT-CQSZACIVSA-N 1 1 292.398 3.243 20 30 CGEDMO C=CCC1(C(=O)N(C)CC[N@@H+](C)CC=C(C)C)CCC1 ZINC001496774750 937964063 /nfs/dbraw/zinc/96/40/63/937964063.db2.gz IPXQMZFTUISKMI-UHFFFAOYSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCCCC)C1 ZINC001496859943 937964579 /nfs/dbraw/zinc/96/45/79/937964579.db2.gz ANLUIWJGPQJCQD-IRXDYDNUSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)c1ccccc1C ZINC001498944695 937971601 /nfs/dbraw/zinc/97/16/01/937971601.db2.gz QBUSPMDOHSVTGI-HZPDHXFCSA-N 1 1 286.419 3.213 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)C(C)=C1CCCC1 ZINC001498962283 937971686 /nfs/dbraw/zinc/97/16/86/937971686.db2.gz VVVQNSCSKQOQPR-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)C1(C)CCCC1 ZINC001499030268 937971903 /nfs/dbraw/zinc/97/19/03/937971903.db2.gz MJXYALUJRIKPKU-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)C(C)=C2CCCC2)C1 ZINC001500203454 937976224 /nfs/dbraw/zinc/97/62/24/937976224.db2.gz DHKRUVLBBWJDFO-SFHVURJKSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CCCCC(=O)N[C@]1(C)CC[N@H+]([C@H](C)CCC=C)C1 ZINC001500254624 937976638 /nfs/dbraw/zinc/97/66/38/937976638.db2.gz UZPRRKSDJQFXHX-NVXWUHKLSA-N 1 1 278.440 3.278 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@](C)(NC(=O)C[C@@H](C)CCCCC)C1 ZINC001500264789 937976789 /nfs/dbraw/zinc/97/67/89/937976789.db2.gz MYALAUWALFGQTC-FUHWJXTLSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)C2CC=CC2)C1 ZINC001500486018 937977467 /nfs/dbraw/zinc/97/74/67/937977467.db2.gz ZOPIPLHTBMYSLE-SFHVURJKSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CCC(=O)NC[C@]1(C)CCC[N@H+](C[C@H](F)CC)C1 ZINC001500497871 937977707 /nfs/dbraw/zinc/97/77/07/937977707.db2.gz BTRPZQSXEGYRNX-WBVHZDCISA-N 1 1 298.446 3.309 20 30 CGEDMO C=CC(C)(C)CC(=O)N1C[C@@H]2C[N@@H+](CCC(C)C)C[C@@H]2C1 ZINC001501221839 937979245 /nfs/dbraw/zinc/97/92/45/937979245.db2.gz MITRICHGPIKCEL-IYBDPMFKSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CCC[N@@H+](CCC2CC2)CC1 ZINC001502135072 937981170 /nfs/dbraw/zinc/98/11/70/937981170.db2.gz GSXIAVVLXXSFAP-FUHWJXTLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CCC2CCC2)CC1 ZINC001502117227 937981217 /nfs/dbraw/zinc/98/12/17/937981217.db2.gz SQUWUOHZQMVXSS-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C/C(C)=C/CC(=O)N[C@@H]1CCC[N@H+](CCC(=C)C)CC1 ZINC001502131954 937981262 /nfs/dbraw/zinc/98/12/62/937981262.db2.gz KETPWWJNSJOCPU-QLGNDSFESA-N 1 1 290.451 3.446 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)C=C(C)C)CC1 ZINC001502107798 937981322 /nfs/dbraw/zinc/98/13/22/937981322.db2.gz RTEIVRWHZHCZSR-HOTGVXAUSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)C1CCCCC1 ZINC001502154981 937981597 /nfs/dbraw/zinc/98/15/97/937981597.db2.gz VHKWKRLIBKWGLN-UHFFFAOYSA-N 1 1 286.847 3.100 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCN(C)C(=O)C1CCCCC1 ZINC001502154981 937981598 /nfs/dbraw/zinc/98/15/98/937981598.db2.gz VHKWKRLIBKWGLN-UHFFFAOYSA-N 1 1 286.847 3.100 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)[C@@]1(C)CCC[C@@H]1C ZINC001502371173 937982224 /nfs/dbraw/zinc/98/22/24/937982224.db2.gz BVQXUCZGIIXZDH-RDJZCZTQSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[C@H](C(=O)N(C)CCC[N@H+](C)CC)c1ccccc1 ZINC001502399156 937982477 /nfs/dbraw/zinc/98/24/77/937982477.db2.gz ZNYGFFAQFXLUQZ-KRWDZBQOSA-N 1 1 288.435 3.147 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC)C2 ZINC001502538713 937982555 /nfs/dbraw/zinc/98/25/55/937982555.db2.gz QISQQXRMSYVFES-QGZVFWFLSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC(C)(C)CC)C2 ZINC001502543723 937982804 /nfs/dbraw/zinc/98/28/04/937982804.db2.gz LWWISXFHBBOCRA-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[N@H+](CC[C@H](C)F)CC1(C)C ZINC001502832778 937983749 /nfs/dbraw/zinc/98/37/49/937983749.db2.gz YTZZWJICNHLXDS-LSDHHAIUSA-N 1 1 298.446 3.308 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)CCCC ZINC001505421084 937985177 /nfs/dbraw/zinc/98/51/77/937985177.db2.gz PGPCFZIDYSXQBI-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)C1CC=CC1 ZINC001505425270 937985179 /nfs/dbraw/zinc/98/51/79/937985179.db2.gz AEGGNAOLXUWMKA-WBVHZDCISA-N 1 1 290.451 3.230 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C)CCC ZINC001505424826 937985205 /nfs/dbraw/zinc/98/52/05/937985205.db2.gz VVDIQYBUXIDUFM-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)Cc1ccsc1 ZINC001505862018 937987355 /nfs/dbraw/zinc/98/73/55/937987355.db2.gz RXERESWCJDMRIL-ZIAGYGMSSA-N 1 1 294.464 3.082 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)/C(C)=C/C ZINC001506563801 937990636 /nfs/dbraw/zinc/99/06/36/937990636.db2.gz SMBIHAQJPRROOX-RUJPKEBESA-N 1 1 284.831 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)/C(C)=C/C ZINC001506563801 937990637 /nfs/dbraw/zinc/99/06/37/937990637.db2.gz SMBIHAQJPRROOX-RUJPKEBESA-N 1 1 284.831 3.066 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)[C@H](C)CCCC)C(C)(C)C1 ZINC001506737595 937991612 /nfs/dbraw/zinc/99/16/12/937991612.db2.gz FDHLJKDNVRDUGT-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)CCC)[C@@H]2C1 ZINC001506801042 937991854 /nfs/dbraw/zinc/99/18/54/937991854.db2.gz CVGHWUVXOCOIMQ-PHZGNYQRSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC([N@@H+](C)CC=C(C)C)CC1 ZINC001506960251 937993290 /nfs/dbraw/zinc/99/32/90/937993290.db2.gz LFTNWWXSLUEFSY-UHFFFAOYSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)CC(C)=C(C)C)CCC[C@@H]12 ZINC001507346983 937995256 /nfs/dbraw/zinc/99/52/56/937995256.db2.gz GBJWDEJFYMJITG-SJLPKXTDSA-N 1 1 290.451 3.422 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)C(CC)(CC)CC)[C@@H]1C ZINC001507383271 937995904 /nfs/dbraw/zinc/99/59/04/937995904.db2.gz TUKIANIBRSQRSD-HOTGVXAUSA-N 1 1 292.467 3.195 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)C1CCCCC1)C(C)C ZINC001507744640 937996734 /nfs/dbraw/zinc/99/67/34/937996734.db2.gz HNYDEEKZOBGVAU-UHFFFAOYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)CCCC(C)C)CC1 ZINC001508224063 937998866 /nfs/dbraw/zinc/99/88/66/937998866.db2.gz WVWIUZBBSDXYGV-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)CC(C)(C)CC)CC1 ZINC001508207014 937998890 /nfs/dbraw/zinc/99/88/90/937998890.db2.gz ONAWJVSHIJUREA-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(CC)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC001520794094 938027738 /nfs/dbraw/zinc/02/77/38/938027738.db2.gz RRLAALALXKFQAJ-UHFFFAOYSA-N 1 1 274.408 3.109 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC001536448882 938105026 /nfs/dbraw/zinc/10/50/26/938105026.db2.gz PNDBRCORODOCQU-KRWDZBQOSA-N 1 1 297.402 3.247 20 30 CGEDMO CC[N@@H+](C[C@H](C)C#N)C1CC(OCc2ccccc2)C1 ZINC001559508490 938227802 /nfs/dbraw/zinc/22/78/02/938227802.db2.gz NXHHYSHZKLGXLQ-ODIFPOPNSA-N 1 1 272.392 3.216 20 30 CGEDMO C=C(Cl)C[N@@H+]1Cc2ccccc2N(C)C[C@@H]1CC ZINC001559593537 938230733 /nfs/dbraw/zinc/23/07/33/938230733.db2.gz FEXLZIUNUIRWOY-AWEZNQCLSA-N 1 1 264.800 3.470 20 30 CGEDMO CC(C)[C@H]1CCCCC[N@H+]1Cc1nc(C#N)cs1 ZINC001559688991 938232859 /nfs/dbraw/zinc/23/28/59/938232859.db2.gz GJDSKDJULIHADZ-CYBMUJFWSA-N 1 1 263.410 3.415 20 30 CGEDMO CC[C@@H]([NH2+]CCCCC(C)(C)C#N)c1noc(C)n1 ZINC001559736361 938233908 /nfs/dbraw/zinc/23/39/08/938233908.db2.gz JDSYOBMPJBILEX-GFCCVEGCSA-N 1 1 264.373 3.139 20 30 CGEDMO CCCCCCCC[N@H+]1[C@H](C)CC[C@@H](C(N)=O)[C@H]1C ZINC001559949456 938239569 /nfs/dbraw/zinc/23/95/69/938239569.db2.gz ZYALMKJTYSMBBJ-RBSFLKMASA-N 1 1 268.445 3.321 20 30 CGEDMO Cc1ncsc1CCC[N@H+]1CCC[C@@H](CC#N)C1 ZINC001559991608 938241196 /nfs/dbraw/zinc/24/11/96/938241196.db2.gz ASCNXTOXOOMWDG-ZDUSSCGKSA-N 1 1 263.410 3.010 20 30 CGEDMO CCCCCCC[N@H+]1CCc2c(CC(N)=O)cccc2C1 ZINC001560062393 938242838 /nfs/dbraw/zinc/24/28/38/938242838.db2.gz KXQJAJNQFSBQIP-UHFFFAOYSA-N 1 1 288.435 3.043 20 30 CGEDMO C#CCOCC[N@H+]1[C@H](C)C[C@H](c2ccccc2)C1(C)C ZINC001560095658 938243872 /nfs/dbraw/zinc/24/38/72/938243872.db2.gz CRINXOODQSOVKC-NVXWUHKLSA-N 1 1 271.404 3.293 20 30 CGEDMO CCCCCCCCC[N@H+]1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC001560097064 938244036 /nfs/dbraw/zinc/24/40/36/938244036.db2.gz OXCMSNVBBPLFGY-CVEARBPZSA-N 1 1 280.456 3.338 20 30 CGEDMO C=C(CC)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC001560141100 938244939 /nfs/dbraw/zinc/24/49/39/938244939.db2.gz INAMVUVNVPNUKO-HUUCEWRRSA-N 1 1 296.455 3.435 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@@H](C)[C@@H]1c1ccccc1 ZINC001560133262 938245014 /nfs/dbraw/zinc/24/50/14/938245014.db2.gz SGCGGYYQJZJTPZ-HYVNUMGLSA-N 1 1 259.393 3.397 20 30 CGEDMO C#CC[N@@H+](C[C@@H]1C[C@]12CCOC2)[C@H]1CCCc2ccccc21 ZINC001560172527 938246272 /nfs/dbraw/zinc/24/62/72/938246272.db2.gz ZCWVWJUSWPHBKV-IHPCNDPISA-N 1 1 295.426 3.426 20 30 CGEDMO C=CCC[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC001560199920 938246704 /nfs/dbraw/zinc/24/67/04/938246704.db2.gz HLBGNQTXWVTSPD-QGZVFWFLSA-N 1 1 297.402 3.317 20 30 CGEDMO C=CC[NH+]1CCC(NCc2ccc(F)c(Cl)c2)CC1 ZINC001560313891 938252323 /nfs/dbraw/zinc/25/23/23/938252323.db2.gz ZJSVEAZSEUURGO-UHFFFAOYSA-N 1 1 282.790 3.219 20 30 CGEDMO C[C@@H](CC#N)[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC001560574449 938263718 /nfs/dbraw/zinc/26/37/18/938263718.db2.gz CYYBZDDLESGYHU-ZDUSSCGKSA-N 1 1 251.333 3.140 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](CC2(OC)CCCCCC2)C1 ZINC001560706881 938271305 /nfs/dbraw/zinc/27/13/05/938271305.db2.gz VBJJFRMDTHEPMO-HNNXBMFYSA-N 1 1 267.413 3.003 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccnc2c(C(=O)OC)cccc12 ZINC001560720545 938272042 /nfs/dbraw/zinc/27/20/42/938272042.db2.gz BLKUDSPUCAKDLU-UHFFFAOYSA-N 1 1 298.386 3.419 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(CC)CC)C[C@H]2C1 ZINC001485658794 957827662 /nfs/dbraw/zinc/82/76/62/957827662.db2.gz YHBJUBYTWFRUBN-JYJNAYRXSA-N 1 1 292.467 3.215 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cncc(C2CC2)c1 ZINC001238192565 960411855 /nfs/dbraw/zinc/41/18/55/960411855.db2.gz DMLMEADSOTZAGI-UHFFFAOYSA-N 1 1 277.371 3.463 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)C[C@H](CC)C(C)(C)C ZINC001569380996 960448004 /nfs/dbraw/zinc/44/80/04/960448004.db2.gz ZHOFIWYPWICQAS-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)C[C@H](CC)C(C)(C)C ZINC001569146565 960449602 /nfs/dbraw/zinc/44/96/02/960449602.db2.gz HQVXVGIHCXVSMQ-CABCVRRESA-N 1 1 282.472 3.461 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H](C)C[NH2+]C/C(Cl)=C\Cl ZINC001569016215 960451759 /nfs/dbraw/zinc/45/17/59/960451759.db2.gz QOMJAFXVPXXXND-FXHRJKFWSA-N 1 1 293.238 3.002 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CCCC)CC(C)(C)C1 ZINC001566127849 960557817 /nfs/dbraw/zinc/55/78/17/960557817.db2.gz IHXZLIQEZNKCGZ-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@H]1CCC[N@@H+](CCC(=C)C)C1 ZINC001566877281 960577319 /nfs/dbraw/zinc/57/73/19/960577319.db2.gz UHKOXAWBLZATRS-DLBZAZTESA-N 1 1 292.467 3.383 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N(C)[C@H]1CC[N@H+](CCCCC)C1 ZINC001567920242 960602534 /nfs/dbraw/zinc/60/25/34/960602534.db2.gz ABBKEMHNGAPEIX-RDJZCZTQSA-N 1 1 280.456 3.312 20 30 CGEDMO C#Cc1cccc(N(CC)C(=O)[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001565601931 960799860 /nfs/dbraw/zinc/79/98/60/960799860.db2.gz ICLYKLBWXQLZBJ-KRWDZBQOSA-N 1 1 298.430 3.141 20 30 CGEDMO C=CCC1(C(=O)N(C)C[C@@H]2CC[N@@H+]2CCC)CCCC1 ZINC001565834935 960835847 /nfs/dbraw/zinc/83/58/47/960835847.db2.gz DVAGKJWODMPEHS-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC(C)(C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CC(C)C1 ZINC001565828925 960837689 /nfs/dbraw/zinc/83/76/89/960837689.db2.gz ULOIQOMJYGMRDG-GPANFISMSA-N 1 1 292.467 3.168 20 30 CGEDMO C#CCCCCC(=O)N1CCCC[C@H]1C[N@H+](C)CCCC ZINC001566119899 960894028 /nfs/dbraw/zinc/89/40/28/960894028.db2.gz SNHAVOKNIKWWMZ-KRWDZBQOSA-N 1 1 292.467 3.293 20 30 CGEDMO C=CCCC[N@@H+](C)CCCNC(=O)C1=CCCCCC1 ZINC001566446175 960936294 /nfs/dbraw/zinc/93/62/94/960936294.db2.gz JDGCWOGUPUHCHC-UHFFFAOYSA-N 1 1 278.440 3.281 20 30 CGEDMO C#CCC[N@@H+](CC)CCCNC(=O)[C@H](C)[C@@H](C)C(C)(C)C ZINC001566568164 960952862 /nfs/dbraw/zinc/95/28/62/960952862.db2.gz CHPGUXAZBJRPOC-HZPDHXFCSA-N 1 1 294.483 3.156 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC)CC2CCCC2)C1 ZINC001566630620 960972859 /nfs/dbraw/zinc/97/28/59/960972859.db2.gz SKQIQFDRXKUNDK-DLBZAZTESA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C2(CC)CCC2)C1 ZINC001566628076 960972950 /nfs/dbraw/zinc/97/29/50/960972950.db2.gz SFIRNFGEPJIJHL-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)C2CCCCC2)C1 ZINC001566654798 960975726 /nfs/dbraw/zinc/97/57/26/960975726.db2.gz JBEBAGFVBMSCME-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001566742890 961011520 /nfs/dbraw/zinc/01/15/20/961011520.db2.gz FQLCNXGYHCSSQX-BRWVUGGUSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCCCC1 ZINC001566749005 961012626 /nfs/dbraw/zinc/01/26/26/961012626.db2.gz YMNKRBQASFZPNE-CALCHBBNSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1CCC[N@H+](CCC(=C)C)C1 ZINC001566873575 961033693 /nfs/dbraw/zinc/03/36/93/961033693.db2.gz IODUXQOPHIFIHB-INIZCTEOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)C/C=C(/C)C=C)C1 ZINC001566876712 961038077 /nfs/dbraw/zinc/03/80/77/961038077.db2.gz JUSHPNHDQZEZMS-RNIVLKNTSA-N 1 1 290.451 3.303 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](CC)SC ZINC001566920148 961055130 /nfs/dbraw/zinc/05/51/30/961055130.db2.gz NKNLZVNSWNWKFY-GJZGRUSLSA-N 1 1 298.496 3.065 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)CC1CCCC1 ZINC001566916874 961058265 /nfs/dbraw/zinc/05/82/65/961058265.db2.gz SSTUUZOOWPBWSN-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CC=C)C1 ZINC001566959658 961075321 /nfs/dbraw/zinc/07/53/21/961075321.db2.gz GMDNUQJUFJDGPX-NVXWUHKLSA-N 1 1 290.451 3.158 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)/C(C)=C\CC)C1 ZINC001567188539 961134994 /nfs/dbraw/zinc/13/49/94/961134994.db2.gz PDGLDVJZCYBKDZ-VDBIKXPHSA-N 1 1 284.831 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)/C(C)=C\CC)C1 ZINC001567188539 961135005 /nfs/dbraw/zinc/13/50/05/961135005.db2.gz PDGLDVJZCYBKDZ-VDBIKXPHSA-N 1 1 284.831 3.018 20 30 CGEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001567201829 961137447 /nfs/dbraw/zinc/13/74/47/961137447.db2.gz JAUBXNXHRZNILE-HZPDHXFCSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]([N@H+](C)CCCC)C1 ZINC001567199111 961142946 /nfs/dbraw/zinc/14/29/46/961142946.db2.gz SWCGURBGXHBIFM-RDJZCZTQSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CCC(=O)NCC[N@H+](C)CC1CCC(C)CC1 ZINC001567284604 961265601 /nfs/dbraw/zinc/26/56/01/961265601.db2.gz OMUMJTRAKOQNIO-UHFFFAOYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CC)CCNC(=O)c1ccsc1C ZINC001567332071 961286793 /nfs/dbraw/zinc/28/67/93/961286793.db2.gz UZQNVUYIMJFJAB-CYBMUJFWSA-N 1 1 294.464 3.463 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)C(F)=C1CCCC1 ZINC001567330005 961294643 /nfs/dbraw/zinc/29/46/43/961294643.db2.gz YYVPZTKYQNHRRE-UHFFFAOYSA-N 1 1 282.403 3.188 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CC)CCNC(=O)c1sccc1F ZINC001567331600 961295944 /nfs/dbraw/zinc/29/59/44/961295944.db2.gz CAPLZPZZXNZHGT-GFCCVEGCSA-N 1 1 298.427 3.294 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)c1cccc(Cl)c1C ZINC001567333090 961297210 /nfs/dbraw/zinc/29/72/10/961297210.db2.gz JEVLNDCNDKDDPQ-UHFFFAOYSA-N 1 1 294.826 3.276 20 30 CGEDMO C=C(C)CCC(=O)NCC[N@H+](CC)Cc1ccsc1 ZINC001567333703 961298954 /nfs/dbraw/zinc/29/89/54/961298954.db2.gz FZKVHQRGCHSQMU-UHFFFAOYSA-N 1 1 280.437 3.043 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001567378947 961302432 /nfs/dbraw/zinc/30/24/32/961302432.db2.gz LJQUJYKSMHPOBZ-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)CC[C@@H](C)CC)C1 ZINC001567415580 961316781 /nfs/dbraw/zinc/31/67/81/961316781.db2.gz OUTZXVVTFGEBLG-HOTGVXAUSA-N 1 1 280.456 3.217 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](CNC(=O)C[C@@H](CC)CCCC)C1 ZINC001567406794 961318983 /nfs/dbraw/zinc/31/89/83/961318983.db2.gz XBVGWYVLNUFRTM-DLBZAZTESA-N 1 1 292.467 3.054 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1CC[N@H+](C[C@H](C)CC)C1 ZINC001567403675 961326682 /nfs/dbraw/zinc/32/66/82/961326682.db2.gz TWAAVEHUMCTBMR-CABCVRRESA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC001567395975 961328868 /nfs/dbraw/zinc/32/88/68/961328868.db2.gz UJQJETCYSHFZMC-YJBOKZPZSA-N 1 1 298.430 3.078 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)CCC(C)C)C1 ZINC001567691314 961403509 /nfs/dbraw/zinc/40/35/09/961403509.db2.gz OFQYLBYDTWCAFO-INIZCTEOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)C(C)(C)C2CC2)C1 ZINC001567706470 961405466 /nfs/dbraw/zinc/40/54/66/961405466.db2.gz YKBQBHMASKKCCL-OAHLLOKOSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)CCC)C1 ZINC001567708133 961408454 /nfs/dbraw/zinc/40/84/54/961408454.db2.gz MOIBDVDWSKVQCV-HNNXBMFYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)C=C(CC)CC)C1 ZINC001567726786 961411701 /nfs/dbraw/zinc/41/17/01/961411701.db2.gz VZWURSTWCHWWMM-INIZCTEOSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC1CCC1 ZINC001567853628 961447619 /nfs/dbraw/zinc/44/76/19/961447619.db2.gz CRLJGEHPBPOFRL-XIRDDKMYSA-N 1 1 290.451 3.207 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001567883089 961450805 /nfs/dbraw/zinc/45/08/05/961450805.db2.gz BACHVJTVGNVUBC-WMZOPIPTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)/C=C(/C)C2CC2)C1 ZINC001567887189 961451917 /nfs/dbraw/zinc/45/19/17/961451917.db2.gz GLUKKEFQXQOFDD-AKMXKPQHSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)CC(C)C)C1 ZINC001567882501 961452239 /nfs/dbraw/zinc/45/22/39/961452239.db2.gz JZHNRGSTCLFJPU-CVEARBPZSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CCCCCC)C1 ZINC001567900089 961456292 /nfs/dbraw/zinc/45/62/92/961456292.db2.gz WZCFKCJFEWRPHI-OAHLLOKOSA-N 1 1 266.429 3.114 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](N(CC)C(=O)C2CC2)C1 ZINC001567931164 961461720 /nfs/dbraw/zinc/46/17/20/961461720.db2.gz YDYGFOIVYCLGOW-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)C[C@H](C)CC)C1 ZINC001567935785 961462794 /nfs/dbraw/zinc/46/27/94/961462794.db2.gz KHQNTXCGGZNVDO-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2coc(C)c2)C1 ZINC001567935391 961465976 /nfs/dbraw/zinc/46/59/76/961465976.db2.gz GBOUHLCZZUBFCQ-MRXNPFEDSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)c1cc(C)cc(F)c1 ZINC001568496879 961590070 /nfs/dbraw/zinc/59/00/70/961590070.db2.gz LWVPJHMAPXRYSL-UHFFFAOYSA-N 1 1 292.398 3.104 20 30 CGEDMO C=C1CC(C)(C(=O)N(C)CC[N@@H+](C)CCC(C)(C)C)C1 ZINC001568495741 961592085 /nfs/dbraw/zinc/59/20/85/961592085.db2.gz VPLHVLSNNLZFMI-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCCC)C1 ZINC001568514408 961604130 /nfs/dbraw/zinc/60/41/30/961604130.db2.gz XHXNUVFCIIDYTE-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCCCC)C1 ZINC001568511187 961609771 /nfs/dbraw/zinc/60/97/71/961609771.db2.gz RKYQFAFHSBOVBL-HOTGVXAUSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1CC ZINC001569109494 961689328 /nfs/dbraw/zinc/68/93/28/961689328.db2.gz SZODCKLYLGCDSJ-OAHLLOKOSA-N 1 1 288.435 3.152 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)c1cccs1 ZINC001569137693 961698569 /nfs/dbraw/zinc/69/85/69/961698569.db2.gz GXUJHOHLAIZLSH-KGLIPLIRSA-N 1 1 294.464 3.254 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)c1ccc(Cl)o1 ZINC001569347299 961736974 /nfs/dbraw/zinc/73/69/74/961736974.db2.gz YUXCGXPHKZFNNG-RYUDHWBXSA-N 1 1 296.798 3.092 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]1CNC(=O)C=C1CCC1 ZINC001569353584 961741368 /nfs/dbraw/zinc/74/13/68/961741368.db2.gz GSLRVILTHNGXGR-MRXNPFEDSA-N 1 1 278.440 3.258 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)F ZINC001569442770 961765314 /nfs/dbraw/zinc/76/53/14/961765314.db2.gz ISYNPBMWHFZWNU-ZNMIVQPWSA-N 1 1 296.430 3.155 20 30 CGEDMO C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@H](C=C)CC)C2)C1 ZINC001569466562 961774380 /nfs/dbraw/zinc/77/43/80/961774380.db2.gz CHHKIHYIVXCPIQ-AEFFLSMTSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCCC(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CCC1)C2 ZINC001569463677 961777092 /nfs/dbraw/zinc/77/70/92/961777092.db2.gz ATATZHMKBRCJLI-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C#CCCCCC(=O)N[C@]1(C)CC[N@H+]([C@H](C)CCC=C)C1 ZINC001569635359 961808231 /nfs/dbraw/zinc/80/82/31/961808231.db2.gz KAXBHEYBCGZUTI-SJLPKXTDSA-N 1 1 290.451 3.115 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(C)C)C2 ZINC001569795802 961838391 /nfs/dbraw/zinc/83/83/91/961838391.db2.gz MDUYJKQELMNXIY-JYJNAYRXSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)/C=C(/C)CC)C2 ZINC001569859471 961856878 /nfs/dbraw/zinc/85/68/78/961856878.db2.gz ZVXNJBIFXXHQMH-UMMKXBDISA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)CCCCC)C[C@H]2C1 ZINC001569872757 961859393 /nfs/dbraw/zinc/85/93/93/961859393.db2.gz LTXRABSTSTVRBU-ZACQAIPSSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC(=C)C ZINC001569913007 961867212 /nfs/dbraw/zinc/86/72/12/961867212.db2.gz MKICQTAWWOUSTE-IKGGRYGDSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@H+](CC[C@H](C)F)CC1 ZINC001570177388 961911044 /nfs/dbraw/zinc/91/10/44/961911044.db2.gz LAYFDZYAQFEJHQ-LSDHHAIUSA-N 1 1 298.446 3.308 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)CCCC)CC1 ZINC001570175042 961912815 /nfs/dbraw/zinc/91/28/15/961912815.db2.gz NWQUIIQVTQHYAY-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CCC[N@H+](CCC(=C)C)CC1 ZINC001570177051 961913975 /nfs/dbraw/zinc/91/39/75/961913975.db2.gz DRWKEZNROJFVNG-INIZCTEOSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)C(CC)CC)C[C@@H]1C ZINC001570429120 961956065 /nfs/dbraw/zinc/95/60/65/961956065.db2.gz OOBIAUPXBWJXDX-GOEBONIOSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)C2CC2)C[C@H]1C ZINC001570433764 961956322 /nfs/dbraw/zinc/95/63/22/961956322.db2.gz CHMOVSOODCUJID-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)CCC)C(C)(C)C1 ZINC001570391261 961963390 /nfs/dbraw/zinc/96/33/90/961963390.db2.gz IWHLYAISUGXFTQ-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)C2CC2)C[C@@H]1C ZINC001570433765 961965528 /nfs/dbraw/zinc/96/55/28/961965528.db2.gz CHMOVSOODCUJID-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)CC1CCN(C(=O)/C(C)=C\C)CC1 ZINC001570500585 961976519 /nfs/dbraw/zinc/97/65/19/961976519.db2.gz WAVDANGOWVIFIM-ACAGNQJTSA-N 1 1 298.858 3.266 20 30 CGEDMO C=CCCC(=O)NC[C@H]1c2ccccc2CC[N@@H+]1C(C)C ZINC001570477097 961979700 /nfs/dbraw/zinc/97/97/00/961979700.db2.gz OPDAAIYNYNHPPB-KRWDZBQOSA-N 1 1 286.419 3.077 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CCC(C)C)CC1(C)C ZINC001570902832 962107014 /nfs/dbraw/zinc/10/70/14/962107014.db2.gz ZLQUTBNXYQYRDK-CQSZACIVSA-N 1 1 280.456 3.071 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](CCC2CC2)CC1(C)C ZINC001570902015 962107527 /nfs/dbraw/zinc/10/75/27/962107527.db2.gz KLKHOGOVSGDQOU-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2C[N@H+](CC(=C)C)CC2(C)C)CCC1 ZINC001570905219 962108773 /nfs/dbraw/zinc/10/87/73/962108773.db2.gz PMLKFITZEQTCHK-HNNXBMFYSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2CC(C)C)CC1 ZINC001571333804 962131183 /nfs/dbraw/zinc/13/11/83/962131183.db2.gz BXWQSFYDHKJXEF-NVXWUHKLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@@H]2C(C)C)CC1 ZINC001571335139 962134526 /nfs/dbraw/zinc/13/45/26/962134526.db2.gz XTYZGZXPHVBNCT-IAGOWNOFSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[C@H](C)C2)CC1 ZINC001571333558 962135949 /nfs/dbraw/zinc/13/59/49/962135949.db2.gz VLYWKGFQESNSKF-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)CC(CC)CC)[C@@H]1C ZINC001571524837 962182116 /nfs/dbraw/zinc/18/21/16/962182116.db2.gz KQJYILAJIYAOCS-GOEBONIOSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C(=O)C1(F)CCCC1)C(C)C ZINC001571612911 962187513 /nfs/dbraw/zinc/18/75/13/962187513.db2.gz CWFLHAOLOQVELR-UHFFFAOYSA-N 1 1 298.446 3.404 20 30 CGEDMO C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)/C=C(/C)CC)CC1 ZINC001571648233 962202540 /nfs/dbraw/zinc/20/25/40/962202540.db2.gz JCPLHMXFFWVRIX-HCYCVZQXSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCCCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC001573335124 962246880 /nfs/dbraw/zinc/24/68/80/962246880.db2.gz LYSHSYPWPWPGDX-UHFFFAOYSA-N 1 1 299.422 3.433 20 30 CGEDMO C#CC[C@@]1(C(=O)O[C@@H](C)c2cc3ccccc3o2)CCC[NH2+]1 ZINC001574525531 962310204 /nfs/dbraw/zinc/31/02/04/962310204.db2.gz MDICDRDPMJPOGE-UGSOOPFHSA-N 1 1 297.354 3.183 20 30 CGEDMO C=CC1(CC(=O)N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)CCCCC1 ZINC001583881727 962859733 /nfs/dbraw/zinc/85/97/33/962859733.db2.gz XSTLDKJPFVDGHO-CVEARBPZSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@@H+]2C1 ZINC001586904876 963148214 /nfs/dbraw/zinc/14/82/14/963148214.db2.gz XWUJGKBDBBYNKC-OAGGEKHMSA-N 1 1 292.467 3.215 20 30 CGEDMO CC[C@@H]1CC[C@H](C)[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000124619512 187145924 /nfs/dbraw/zinc/14/59/24/187145924.db2.gz KOITWAPUSLNDIU-DZGCQCFKSA-N 1 1 285.391 3.150 20 30 CGEDMO Cc1ccncc1[C@@H](C)[NH2+]Cc1cccc(F)c1C#N ZINC000589990898 346820830 /nfs/dbraw/zinc/82/08/30/346820830.db2.gz TVPVSVFNSBEISL-GFCCVEGCSA-N 1 1 269.323 3.252 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@](F)(c3ccccc3)C2)C1 ZINC000590180830 346834825 /nfs/dbraw/zinc/83/48/25/346834825.db2.gz GQXOVZAODNIQRT-VNQPRFMTSA-N 1 1 258.340 3.249 20 30 CGEDMO C=CC[C@H]1CC[C@H]([NH2+]C2CC(N3CCCCC3)C2)C1 ZINC000651791283 398288577 /nfs/dbraw/zinc/28/85/77/398288577.db2.gz NIZOUGVTMNKSCU-JUVOFCAFSA-N 1 1 262.441 3.338 20 30 CGEDMO C=CCCCC[N@@H+]1Cc2ccc(C(=O)OC)cc2C1 ZINC000590693877 346864420 /nfs/dbraw/zinc/86/44/20/346864420.db2.gz JGBBDQUZNHYQJK-UHFFFAOYSA-N 1 1 259.349 3.145 20 30 CGEDMO CC[C@]1(CO)CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439451334 529424545 /nfs/dbraw/zinc/42/45/45/529424545.db2.gz YEOUKBXNCURDNS-INIZCTEOSA-N 1 1 292.810 3.196 20 30 CGEDMO N#CC1(CC[N@H+]2CCC[C@@H](n3ccnc3)C2)CCCCC1 ZINC000591013263 346894080 /nfs/dbraw/zinc/89/40/80/346894080.db2.gz OVEYAIZKALGYON-MRXNPFEDSA-N 1 1 286.423 3.384 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)cc1 ZINC000590971941 346892465 /nfs/dbraw/zinc/89/24/65/346892465.db2.gz YCXUYTZKTQMCDC-WBVHZDCISA-N 1 1 284.403 3.099 20 30 CGEDMO COC(=O)[C@H]1CCCCC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000591026187 346895885 /nfs/dbraw/zinc/89/58/85/346895885.db2.gz HVZWKRHRCWZALH-OAHLLOKOSA-N 1 1 292.423 3.268 20 30 CGEDMO COC(=O)[C@H]1CCCCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000591026187 346895887 /nfs/dbraw/zinc/89/58/87/346895887.db2.gz HVZWKRHRCWZALH-OAHLLOKOSA-N 1 1 292.423 3.268 20 30 CGEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000591062056 346897474 /nfs/dbraw/zinc/89/74/74/346897474.db2.gz SVUIACATBDDJLJ-MRXNPFEDSA-N 1 1 297.402 3.009 20 30 CGEDMO C=CCCCC[N@@H+]1Cc2ccccc2NC(=O)[C@@H]1C ZINC000623291722 349776379 /nfs/dbraw/zinc/77/63/79/349776379.db2.gz RMPXLVZCPWSTCY-ZDUSSCGKSA-N 1 1 258.365 3.186 20 30 CGEDMO C=CCCCC[N@H+]1Cc2ccccc2NC(=O)[C@@H]1C ZINC000623291722 349776383 /nfs/dbraw/zinc/77/63/83/349776383.db2.gz RMPXLVZCPWSTCY-ZDUSSCGKSA-N 1 1 258.365 3.186 20 30 CGEDMO CCc1cnccc1[C@H](C)[NH2+]Cc1ccccc1C#N ZINC000358512984 529681480 /nfs/dbraw/zinc/68/14/80/529681480.db2.gz UWIJGKZLKYABFJ-ZDUSSCGKSA-N 1 1 265.360 3.366 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000591582574 346930076 /nfs/dbraw/zinc/93/00/76/346930076.db2.gz MCPQRVOZNAHFMV-FUHWJXTLSA-N 1 1 295.430 3.200 20 30 CGEDMO CCc1ncc(C[N@H+](CC)[C@H](C)c2ccc(C#N)cc2)cn1 ZINC000414375218 529752832 /nfs/dbraw/zinc/75/28/32/529752832.db2.gz YCYUKLIHPUKSIK-CQSZACIVSA-N 1 1 294.402 3.494 20 30 CGEDMO Cc1c(C)c(C)c(C[N@H+]2CC[C@](O)(CC#N)C2)c(C)c1C ZINC000592149627 346966948 /nfs/dbraw/zinc/96/69/48/346966948.db2.gz SJRDJMVGBCJIMS-GOSISDBHSA-N 1 1 286.419 3.079 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1 ZINC000592141124 346965897 /nfs/dbraw/zinc/96/58/97/346965897.db2.gz DYCCCRPKZDTDTC-WBVHZDCISA-N 1 1 284.403 3.099 20 30 CGEDMO CC[N@H+](CCSC)Cc1ccc(Cl)cc1C#N ZINC000592203705 346972275 /nfs/dbraw/zinc/97/22/75/346972275.db2.gz OCYFBYALWFBWKC-UHFFFAOYSA-N 1 1 268.813 3.397 20 30 CGEDMO CC[N@@H+](CCSC)Cc1ccc(Cl)cc1C#N ZINC000592203705 346972276 /nfs/dbraw/zinc/97/22/76/346972276.db2.gz OCYFBYALWFBWKC-UHFFFAOYSA-N 1 1 268.813 3.397 20 30 CGEDMO C=C(C)[C@@H](CO)S[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000592354517 346977996 /nfs/dbraw/zinc/97/79/96/346977996.db2.gz JSSDZUYTPQHOOC-IAGOWNOFSA-N 1 1 291.460 3.321 20 30 CGEDMO CC(C)=CCC[C@@H](C)CC[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592521814 346995625 /nfs/dbraw/zinc/99/56/25/346995625.db2.gz CHESCNQSPZSSPB-HZPDHXFCSA-N 1 1 264.413 3.109 20 30 CGEDMO C[C@H]1C[N@H+](CC2(C#N)CC2)CCc2ccc(F)cc21 ZINC000593115615 347041535 /nfs/dbraw/zinc/04/15/35/347041535.db2.gz GTBMKNBSLRYHSK-LBPRGKRZSA-N 1 1 258.340 3.091 20 30 CGEDMO C[C@H]1C[N@@H+](CC2(C#N)CC2)CCc2ccc(F)cc21 ZINC000593115615 347041536 /nfs/dbraw/zinc/04/15/36/347041536.db2.gz GTBMKNBSLRYHSK-LBPRGKRZSA-N 1 1 258.340 3.091 20 30 CGEDMO C[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C#N)C2)CCc2ccc(F)cc21 ZINC000593119175 347042239 /nfs/dbraw/zinc/04/22/39/347042239.db2.gz YHWMKDURZXTXIJ-XJKCOSOUSA-N 1 1 272.367 3.480 20 30 CGEDMO C[C@@H]1C[N@H+]([C@H]2CC[C@@H](C#N)C2)CCc2ccc(F)cc21 ZINC000593119173 347042356 /nfs/dbraw/zinc/04/23/56/347042356.db2.gz YHWMKDURZXTXIJ-IOASZLSFSA-N 1 1 272.367 3.480 20 30 CGEDMO C[N@@H+](Cc1cccc(OCCCC#N)c1)Cc1ccccn1 ZINC000350356993 529995474 /nfs/dbraw/zinc/99/54/74/529995474.db2.gz OUDQQMJXQMOFCE-UHFFFAOYSA-N 1 1 295.386 3.396 20 30 CGEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1nc2ccccc2[nH]1 ZINC000330290290 530052284 /nfs/dbraw/zinc/05/22/84/530052284.db2.gz FQGLZRUCAYGWLD-GFCCVEGCSA-N 1 1 286.379 3.415 20 30 CGEDMO CCC[C@@H](C)[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000030269727 344922382 /nfs/dbraw/zinc/92/23/82/344922382.db2.gz JKTGCEMDCIYKNU-LLVKDONJSA-N 1 1 293.798 3.271 20 30 CGEDMO CC[C@H](C)[N@@H+](CC)CCC(=O)Nc1ccc(C#N)cc1 ZINC000037113066 344947566 /nfs/dbraw/zinc/94/75/66/344947566.db2.gz QAZFICCMVXZVBO-ZDUSSCGKSA-N 1 1 273.380 3.007 20 30 CGEDMO CC(C)[N@@H+](Cc1cccc(C#N)c1)Cc1ccccn1 ZINC000048272789 345064321 /nfs/dbraw/zinc/06/43/21/345064321.db2.gz SHPDEVCCGLMAGK-UHFFFAOYSA-N 1 1 265.360 3.364 20 30 CGEDMO C=C(C)C[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000053134575 345115277 /nfs/dbraw/zinc/11/52/77/345115277.db2.gz LILYBXJCXJYUGY-ZDUSSCGKSA-N 1 1 251.395 3.305 20 30 CGEDMO Cc1cc([C@@H]2CCC[N@@H+]2CCOc2cccc(C#N)c2)no1 ZINC000051475835 345090682 /nfs/dbraw/zinc/09/06/82/345090682.db2.gz WAYWBINDFNIAIP-KRWDZBQOSA-N 1 1 297.358 3.071 20 30 CGEDMO Cc1cc([C@@H]2CCC[N@H+]2CCOc2cccc(C#N)c2)no1 ZINC000051475835 345090685 /nfs/dbraw/zinc/09/06/85/345090685.db2.gz WAYWBINDFNIAIP-KRWDZBQOSA-N 1 1 297.358 3.071 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](CNc2cccc(Cl)c2C#N)C1 ZINC000052904000 345110397 /nfs/dbraw/zinc/11/03/97/345110397.db2.gz BLAWSJGXCVSSSY-LBPRGKRZSA-N 1 1 277.799 3.354 20 30 CGEDMO C#CC[N@@H+](Cc1c(C)noc1C)[C@@H]1CCc2ccccc21 ZINC000059403839 345207208 /nfs/dbraw/zinc/20/72/08/345207208.db2.gz JHEIZRVWPVRRBZ-GOSISDBHSA-N 1 1 280.371 3.414 20 30 CGEDMO C#CC[N@H+](Cc1c(C)noc1C)[C@@H]1CCc2ccccc21 ZINC000059403839 345207210 /nfs/dbraw/zinc/20/72/10/345207210.db2.gz JHEIZRVWPVRRBZ-GOSISDBHSA-N 1 1 280.371 3.414 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+](CC1CC1)C1CCCCC1 ZINC000060563699 345220215 /nfs/dbraw/zinc/22/02/15/345220215.db2.gz KWUUYJSAPNQWNN-UHFFFAOYSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000066560244 345300291 /nfs/dbraw/zinc/30/02/91/345300291.db2.gz GSNMHINUXMBFSD-HOTGVXAUSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)CCc2ccccn2)cc1 ZINC000072589661 345413608 /nfs/dbraw/zinc/41/36/08/345413608.db2.gz HWVRJOYKFMBLJO-UHFFFAOYSA-N 1 1 282.387 3.321 20 30 CGEDMO CCc1ccc(C[N@H+](C)C[C@H](C#N)CCC#N)cc1 ZINC000072589836 345413867 /nfs/dbraw/zinc/41/38/67/345413867.db2.gz PJDURDGXWROJAG-INIZCTEOSA-N 1 1 255.365 3.124 20 30 CGEDMO CCc1ccc(C[N@@H+](C)C[C@H](C#N)CCC#N)cc1 ZINC000072589836 345413871 /nfs/dbraw/zinc/41/38/71/345413871.db2.gz PJDURDGXWROJAG-INIZCTEOSA-N 1 1 255.365 3.124 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](O)COc1ccccc1C(C)C ZINC000077176927 345558326 /nfs/dbraw/zinc/55/83/26/345558326.db2.gz IWGAKGWSCIAIDR-MRXNPFEDSA-N 1 1 291.435 3.448 20 30 CGEDMO COc1ccc(C[N@@H+](CC2CC2)C(C)C)cc1C#N ZINC000087833302 345757596 /nfs/dbraw/zinc/75/75/96/345757596.db2.gz JZDFZTKAIYSXBR-UHFFFAOYSA-N 1 1 258.365 3.187 20 30 CGEDMO Cc1noc(C)c1[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000092331907 345836184 /nfs/dbraw/zinc/83/61/84/345836184.db2.gz ATRHYKXRIXFHRX-VIFPVBQESA-N 1 1 273.311 3.153 20 30 CGEDMO Cn1cccc1C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000093872508 345891684 /nfs/dbraw/zinc/89/16/84/345891684.db2.gz CXZVIZAVJOYKGT-ROUUACIJSA-N 1 1 279.387 3.297 20 30 CGEDMO Cn1cccc1C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000093872508 345891685 /nfs/dbraw/zinc/89/16/85/345891685.db2.gz CXZVIZAVJOYKGT-ROUUACIJSA-N 1 1 279.387 3.297 20 30 CGEDMO N#Cc1ccncc1NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000094159536 345897422 /nfs/dbraw/zinc/89/74/22/345897422.db2.gz DIGFOMGIXXKVMZ-QGZVFWFLSA-N 1 1 292.386 3.030 20 30 CGEDMO C[C@H]([N@@H+](C)CCOc1cccc(C#N)c1)C1(C)CC1 ZINC000177253434 232360304 /nfs/dbraw/zinc/36/03/04/232360304.db2.gz DTIJFRXNVLROAP-ZDUSSCGKSA-N 1 1 258.365 3.057 20 30 CGEDMO CCC[N@@H+](CCCC#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000171611356 346209411 /nfs/dbraw/zinc/20/94/11/346209411.db2.gz CLOZNYAXTJUJCV-CQSZACIVSA-N 1 1 295.427 3.012 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000260052757 346401724 /nfs/dbraw/zinc/40/17/24/346401724.db2.gz OEVPRDGWNFLHFK-NSHDSACASA-N 1 1 250.292 3.090 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000260052757 346401726 /nfs/dbraw/zinc/40/17/26/346401726.db2.gz OEVPRDGWNFLHFK-NSHDSACASA-N 1 1 250.292 3.090 20 30 CGEDMO N#CCC1(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)CC1 ZINC000253101539 346393691 /nfs/dbraw/zinc/39/36/91/346393691.db2.gz XJWFTYOLEGSKHZ-BZUAXINKSA-N 1 1 276.424 3.086 20 30 CGEDMO C=CCc1cc(C[N@H+]2CC[C@@H](SC)C2)cc(OC)c1O ZINC000295017160 346433653 /nfs/dbraw/zinc/43/36/53/346433653.db2.gz KEZCRXMSOKVEAX-CQSZACIVSA-N 1 1 293.432 3.067 20 30 CGEDMO Cc1cc(Br)ccc1C[NH2+]CC1(C#N)CC1 ZINC000309901920 346470241 /nfs/dbraw/zinc/47/02/41/346470241.db2.gz ICOCSKSMXAACQX-UHFFFAOYSA-N 1 1 279.181 3.151 20 30 CGEDMO CCN(CC)c1ncc(C[NH2+]CC2(C#N)CCCC2)s1 ZINC000593649908 347099190 /nfs/dbraw/zinc/09/91/90/347099190.db2.gz LXQRABHMOCUGPR-UHFFFAOYSA-N 1 1 292.452 3.163 20 30 CGEDMO Cn1cc(C[NH2+]CC2(C#N)CCCC2)c(-c2ccccc2)n1 ZINC000593653243 347099529 /nfs/dbraw/zinc/09/95/29/347099529.db2.gz GMVBHVRDBCCEEQ-UHFFFAOYSA-N 1 1 294.402 3.261 20 30 CGEDMO Cc1ccc(-c2n[nH]cc2C[NH2+]CC2(C#N)CCCC2)o1 ZINC000593649443 347099585 /nfs/dbraw/zinc/09/95/85/347099585.db2.gz FAURJPUIPZPGKY-UHFFFAOYSA-N 1 1 284.363 3.152 20 30 CGEDMO COc1cc(C)ccc1C[NH2+]CC1(C#N)CCCC1 ZINC000593655144 347101120 /nfs/dbraw/zinc/10/11/20/347101120.db2.gz ZEGDLDFBWAKLCV-UHFFFAOYSA-N 1 1 258.365 3.177 20 30 CGEDMO C=CCCC[C@@H](C)[NH+]1CCC(c2nc(CC)n[nH]2)CC1 ZINC000362079913 346545329 /nfs/dbraw/zinc/54/53/29/346545329.db2.gz VXFWFFDYSLGMRJ-CYBMUJFWSA-N 1 1 276.428 3.291 20 30 CGEDMO C=CCCC[C@@H](C)[NH+]1CCC(c2n[nH]c(CC)n2)CC1 ZINC000362079913 346545331 /nfs/dbraw/zinc/54/53/31/346545331.db2.gz VXFWFFDYSLGMRJ-CYBMUJFWSA-N 1 1 276.428 3.291 20 30 CGEDMO CCn1nc(C[N@@H+]2CCC[C@@H](CC#N)C2)c2ccccc21 ZINC000397562721 346582956 /nfs/dbraw/zinc/58/29/56/346582956.db2.gz AKZGTPQMJCWPDI-AWEZNQCLSA-N 1 1 282.391 3.182 20 30 CGEDMO CCn1nc(C[N@H+]2CCC[C@@H](CC#N)C2)c2ccccc21 ZINC000397562721 346582958 /nfs/dbraw/zinc/58/29/58/346582958.db2.gz AKZGTPQMJCWPDI-AWEZNQCLSA-N 1 1 282.391 3.182 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](CCSc2ccccc2)C1 ZINC000397792503 346584911 /nfs/dbraw/zinc/58/49/11/346584911.db2.gz ZUHLRTVRCNPSFX-CQSZACIVSA-N 1 1 260.406 3.404 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1C[C@@H](C)C[C@H]1c1cccc(OC)c1 ZINC000541315020 346652188 /nfs/dbraw/zinc/65/21/88/346652188.db2.gz PKSUDFCAUOMYJT-ZVZYQTTQSA-N 1 1 289.419 3.405 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)cc1 ZINC000561983385 346659667 /nfs/dbraw/zinc/65/96/67/346659667.db2.gz UWMAKAHVCLESAX-QAPCUYQASA-N 1 1 288.435 3.023 20 30 CGEDMO Cc1cc([C@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)no1 ZINC000585726638 346727860 /nfs/dbraw/zinc/72/78/60/346727860.db2.gz UJPNEVZQKVNQSE-XHDPSFHLSA-N 1 1 267.332 3.193 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000585754116 346729386 /nfs/dbraw/zinc/72/93/86/346729386.db2.gz RBONIFBYLAARAJ-IAGOWNOFSA-N 1 1 270.376 3.010 20 30 CGEDMO CC[N@@H+](C)C[C@H]1CCN([C@@H](C#N)c2ccc(Cl)cc2)C1 ZINC000585719898 346727298 /nfs/dbraw/zinc/72/72/98/346727298.db2.gz ZRDNZVVURYXTQI-CJNGLKHVSA-N 1 1 291.826 3.178 20 30 CGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)CC(C)(C)C ZINC000588938838 346777509 /nfs/dbraw/zinc/77/75/09/346777509.db2.gz JTHFIBDCVVQIKY-INIZCTEOSA-N 1 1 291.435 3.133 20 30 CGEDMO N#Cc1cccc2c1C[N@@H+](CC1Cc3ccccc3C1)C2 ZINC000593696899 347104539 /nfs/dbraw/zinc/10/45/39/347104539.db2.gz IQFCYVPNKATXKI-UHFFFAOYSA-N 1 1 274.367 3.289 20 30 CGEDMO CSC1(C[N@@H+]2Cc3cccc(C#N)c3C2)CCC1 ZINC000593699055 347105836 /nfs/dbraw/zinc/10/58/36/347105836.db2.gz YSEBHIZCHZVROV-UHFFFAOYSA-N 1 1 258.390 3.160 20 30 CGEDMO CSC1(C[N@H+]2Cc3cccc(C#N)c3C2)CCC1 ZINC000593699055 347105840 /nfs/dbraw/zinc/10/58/40/347105840.db2.gz YSEBHIZCHZVROV-UHFFFAOYSA-N 1 1 258.390 3.160 20 30 CGEDMO C[N@@H+](CCN[C@@H]1CCc2ccc(C#N)cc21)C1CCCCC1 ZINC000589336683 346794281 /nfs/dbraw/zinc/79/42/81/346794281.db2.gz DDIGNXADXLCCER-LJQANCHMSA-N 1 1 297.446 3.400 20 30 CGEDMO CN(CC[NH2+][C@@H]1CCc2ccc(C#N)cc21)C1CCCCC1 ZINC000589336683 346794282 /nfs/dbraw/zinc/79/42/82/346794282.db2.gz DDIGNXADXLCCER-LJQANCHMSA-N 1 1 297.446 3.400 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cn1)[C@H]1CCCc2ccccc21 ZINC000593936588 347119788 /nfs/dbraw/zinc/11/97/88/347119788.db2.gz DUAXWXVOYZMQTG-SFHVURJKSA-N 1 1 277.371 3.463 20 30 CGEDMO CCOC(=O)[C@H]([NH2+]CCCCC#N)C1CCCCCC1 ZINC000594046906 347144698 /nfs/dbraw/zinc/14/46/98/347144698.db2.gz IPLDHQFLFXGNCJ-OAHLLOKOSA-N 1 1 280.412 3.172 20 30 CGEDMO CCCN1CCC([NH2+]C2(c3ccc(C#N)cc3)CCC2)CC1 ZINC000594512775 347184124 /nfs/dbraw/zinc/18/41/24/347184124.db2.gz DHQVPNPHUDHLKS-UHFFFAOYSA-N 1 1 297.446 3.401 20 30 CGEDMO CCC[NH+]1CCC(NC2(c3ccc(C#N)cc3)CCC2)CC1 ZINC000594512775 347184128 /nfs/dbraw/zinc/18/41/28/347184128.db2.gz DHQVPNPHUDHLKS-UHFFFAOYSA-N 1 1 297.446 3.401 20 30 CGEDMO CCCC[N@H+](C)C[C@H](C)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594959167 347241061 /nfs/dbraw/zinc/24/10/61/347241061.db2.gz WDXKRRBGPULJKB-INIZCTEOSA-N 1 1 299.462 3.452 20 30 CGEDMO CCCC[N@@H+](C)C[C@H](C)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594959167 347241065 /nfs/dbraw/zinc/24/10/65/347241065.db2.gz WDXKRRBGPULJKB-INIZCTEOSA-N 1 1 299.462 3.452 20 30 CGEDMO N#Cc1ccc(CC[N@@H+]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000595288755 347286684 /nfs/dbraw/zinc/28/66/84/347286684.db2.gz LNWMIBFGASWMFC-CQSZACIVSA-N 1 1 282.309 3.375 20 30 CGEDMO CC[N@H+](C[C@H](OC)C1CCCCC1)C[C@H](C)C#N ZINC000595307603 347289967 /nfs/dbraw/zinc/28/99/67/347289967.db2.gz WSXQHKVHLPPONC-HIFRSBDPSA-N 1 1 252.402 3.063 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595321957 347291739 /nfs/dbraw/zinc/29/17/39/347291739.db2.gz OMTHCROSVORQEL-UHFFFAOYSA-N 1 1 252.289 3.132 20 30 CGEDMO N#C[C@H](c1ccccc1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000595388456 347297620 /nfs/dbraw/zinc/29/76/20/347297620.db2.gz WBYXBJZSDVGISK-BHIYHBOVSA-N 1 1 295.430 3.200 20 30 CGEDMO C[C@H](c1ccccn1)[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595393105 347298808 /nfs/dbraw/zinc/29/88/08/347298808.db2.gz WONPUGSCRIPKNX-CQSZACIVSA-N 1 1 265.360 3.189 20 30 CGEDMO C[C@H](NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc(C#N)cc1F ZINC000595055069 347271090 /nfs/dbraw/zinc/27/10/90/347271090.db2.gz ZXOUOOJMRHQSBE-JSGCOSHPSA-N 1 1 289.398 3.221 20 30 CGEDMO C[C@H](NC[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc(C#N)cc1F ZINC000595055069 347271092 /nfs/dbraw/zinc/27/10/92/347271092.db2.gz ZXOUOOJMRHQSBE-JSGCOSHPSA-N 1 1 289.398 3.221 20 30 CGEDMO CC[C@H](N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(C#N)cc1 ZINC000595057323 347272802 /nfs/dbraw/zinc/27/28/02/347272802.db2.gz XBAVYUVINYHXAM-SJORKVTESA-N 1 1 285.435 3.472 20 30 CGEDMO Cc1cc(C)cc(OCC[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595612213 347327586 /nfs/dbraw/zinc/32/75/86/347327586.db2.gz TXFKBURNMLUUKR-INIZCTEOSA-N 1 1 272.392 3.308 20 30 CGEDMO COC(=O)c1oc([C@@H](C)[N@@H+]2CCC[C@H](CC#N)C2)cc1C ZINC000595620314 347328781 /nfs/dbraw/zinc/32/87/81/347328781.db2.gz LRBNGENVUHKBKG-CHWSQXEVSA-N 1 1 290.363 3.061 20 30 CGEDMO COC(=O)c1oc([C@@H](C)[N@H+]2CCC[C@H](CC#N)C2)cc1C ZINC000595620314 347328783 /nfs/dbraw/zinc/32/87/83/347328783.db2.gz LRBNGENVUHKBKG-CHWSQXEVSA-N 1 1 290.363 3.061 20 30 CGEDMO CC(C)CSCCC[N@H+]1CCC[C@H](CC#N)C1 ZINC000595621722 347329357 /nfs/dbraw/zinc/32/93/57/347329357.db2.gz XWWCFJTZPRASIJ-CQSZACIVSA-N 1 1 254.443 3.391 20 30 CGEDMO Cc1nc(C[NH2+]C(C)(C)c2cccc(C#N)c2)c(C)o1 ZINC000595633167 347330132 /nfs/dbraw/zinc/33/01/32/347330132.db2.gz MYGOOYLRSLFWCS-UHFFFAOYSA-N 1 1 269.348 3.188 20 30 CGEDMO C=CC[N@H+](Cc1ccc(Cl)cc1C#N)[C@@H](C)COC ZINC000595638461 347331328 /nfs/dbraw/zinc/33/13/28/347331328.db2.gz GJRQKWRSKXOUCS-LBPRGKRZSA-N 1 1 278.783 3.235 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Cl)cc1C#N)[C@@H](C)COC ZINC000595638461 347331330 /nfs/dbraw/zinc/33/13/30/347331330.db2.gz GJRQKWRSKXOUCS-LBPRGKRZSA-N 1 1 278.783 3.235 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595660748 347334153 /nfs/dbraw/zinc/33/41/53/347334153.db2.gz VTDQYCNASJFOPK-KRWDZBQOSA-N 1 1 254.377 3.389 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)[C@@H]1CCO ZINC000595690181 347338142 /nfs/dbraw/zinc/33/81/42/347338142.db2.gz WGGQRUZLEGZBNW-HZPDHXFCSA-N 1 1 278.440 3.333 20 30 CGEDMO N#Cc1ccc(CC[N@@H+]2CCC[C@@H](CCF)C2)cc1 ZINC000595764095 347352851 /nfs/dbraw/zinc/35/28/51/347352851.db2.gz VDGIOKCMORYAID-INIZCTEOSA-N 1 1 260.356 3.172 20 30 CGEDMO CCCC[N@@H+](C)C[C@@H](C)Nc1nc2ncccc2cc1C#N ZINC000596235878 347401638 /nfs/dbraw/zinc/40/16/38/347401638.db2.gz AXNKVILCBZEYCU-CYBMUJFWSA-N 1 1 297.406 3.034 20 30 CGEDMO N#Cc1ccc(C[NH+]2CCC(c3ccon3)CC2)c(F)c1 ZINC000595833801 347363544 /nfs/dbraw/zinc/36/35/44/347363544.db2.gz NMTZTQVFGFFCNX-UHFFFAOYSA-N 1 1 285.322 3.065 20 30 CGEDMO Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@](C)(C#N)C3)cc2)n1 ZINC000595841502 347365612 /nfs/dbraw/zinc/36/56/12/347365612.db2.gz VKXJYRQYNBMXBN-GOSISDBHSA-N 1 1 294.402 3.225 20 30 CGEDMO Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@](C)(C#N)C3)cc2)n1 ZINC000595841502 347365614 /nfs/dbraw/zinc/36/56/14/347365614.db2.gz VKXJYRQYNBMXBN-GOSISDBHSA-N 1 1 294.402 3.225 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1F ZINC000595842451 347366049 /nfs/dbraw/zinc/36/60/49/347366049.db2.gz RATMCRWFRSYQKL-GASCZTMLSA-N 1 1 256.324 3.380 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000595842640 347366444 /nfs/dbraw/zinc/36/64/44/347366444.db2.gz UGSBMAYJUUPFCD-CWRNSKLLSA-N 1 1 295.386 3.068 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)cc1C(=O)OC ZINC000595845704 347367449 /nfs/dbraw/zinc/36/74/49/347367449.db2.gz UPCMFKNWPKFRHI-GASCZTMLSA-N 1 1 289.350 3.295 20 30 CGEDMO C[N@@H+](CCC1(C#N)CCCCC1)CC1=CCSC1 ZINC000595888858 347371058 /nfs/dbraw/zinc/37/10/58/347371058.db2.gz PFGXTOQHGWIAEN-UHFFFAOYSA-N 1 1 264.438 3.456 20 30 CGEDMO C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C[C@H]1CC1(C)C ZINC000595911374 347371941 /nfs/dbraw/zinc/37/19/41/347371941.db2.gz FXHVWILPFXBGRP-CQSZACIVSA-N 1 1 296.374 3.086 20 30 CGEDMO CC1(C)C[N@H+]([C@@H]2CC[C@@H](C#N)C2)[C@@H]1c1ccncc1 ZINC000596593723 347484523 /nfs/dbraw/zinc/48/45/23/347484523.db2.gz RISULMVLUXIPLR-BPLDGKMQSA-N 1 1 255.365 3.157 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000596977138 347523968 /nfs/dbraw/zinc/52/39/68/347523968.db2.gz GQOIMXKMBLINPI-CQSZACIVSA-N 1 1 254.377 3.474 20 30 CGEDMO CC[N@@H+](Cc1ccc(O[C@H](C)COC)cc1)C[C@@H](C)C#N ZINC000596991368 347525234 /nfs/dbraw/zinc/52/52/34/347525234.db2.gz LPJPOJVSUROWOG-LSDHHAIUSA-N 1 1 290.407 3.082 20 30 CGEDMO CC[N@H+](Cc1ccc(O[C@H](C)COC)cc1)C[C@@H](C)C#N ZINC000596991368 347525235 /nfs/dbraw/zinc/52/52/35/347525235.db2.gz LPJPOJVSUROWOG-LSDHHAIUSA-N 1 1 290.407 3.082 20 30 CGEDMO C[N@@H+](Cc1ccoc1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597001586 347526516 /nfs/dbraw/zinc/52/65/16/347526516.db2.gz WIPAWMGOMVOORZ-UHFFFAOYSA-N 1 1 266.344 3.467 20 30 CGEDMO CO[C@@H](C)C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)C(C)C ZINC000597014427 347527446 /nfs/dbraw/zinc/52/74/46/347527446.db2.gz PFKIXVNGDJUFTQ-HNNXBMFYSA-N 1 1 286.419 3.487 20 30 CGEDMO CO[C@H](C)C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)C(C)C ZINC000597014428 347527589 /nfs/dbraw/zinc/52/75/89/347527589.db2.gz PFKIXVNGDJUFTQ-OAHLLOKOSA-N 1 1 286.419 3.487 20 30 CGEDMO CCOC[C@@H]1CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597011081 347527897 /nfs/dbraw/zinc/52/78/97/347527897.db2.gz TXMWCHWEYBKZRN-QGZVFWFLSA-N 1 1 298.430 3.490 20 30 CGEDMO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597026472 347528538 /nfs/dbraw/zinc/52/85/38/347528538.db2.gz INRHHFSHMILWGM-UONOGXRCSA-N 1 1 254.377 3.472 20 30 CGEDMO COc1nc2ccccc2cc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000597178257 347545286 /nfs/dbraw/zinc/54/52/86/347545286.db2.gz WQVZLANRDQPPJG-CQSZACIVSA-N 1 1 295.386 3.369 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000597076990 347533345 /nfs/dbraw/zinc/53/33/45/347533345.db2.gz RRNNXOPNBAOCLP-KRWDZBQOSA-N 1 1 284.403 3.099 20 30 CGEDMO CCC[C@]1(CO)CCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597114671 347536574 /nfs/dbraw/zinc/53/65/74/347536574.db2.gz BJHFCDGKDDORMR-LJQANCHMSA-N 1 1 298.430 3.369 20 30 CGEDMO N#CC1(c2ccc(C[N@@H+]3CC[C@H](OC(F)F)C3)cc2)CC1 ZINC000597121566 347537147 /nfs/dbraw/zinc/53/71/47/347537147.db2.gz PWVPPVVYKMFVPX-AWEZNQCLSA-N 1 1 292.329 3.055 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)[C@@H](C)C1 ZINC000597132344 347538071 /nfs/dbraw/zinc/53/80/71/347538071.db2.gz PBZMGTTWXBRZCI-WMLDXEAASA-N 1 1 284.403 3.241 20 30 CGEDMO C[C@]1(CCCO)CCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597132540 347538125 /nfs/dbraw/zinc/53/81/25/347538125.db2.gz KBNBQBYKHCFTQG-GOSISDBHSA-N 1 1 298.430 3.369 20 30 CGEDMO N#CC1(c2ccc(C[NH2+]CC3(C#N)CCC3)cc2)CC1 ZINC000597155420 347541704 /nfs/dbraw/zinc/54/17/04/347541704.db2.gz VSDFUTBBVBNDTK-UHFFFAOYSA-N 1 1 265.360 3.025 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000597173297 347543174 /nfs/dbraw/zinc/54/31/74/347543174.db2.gz HZVAHGIOFUQLME-AWEZNQCLSA-N 1 1 280.375 3.202 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000597173297 347543178 /nfs/dbraw/zinc/54/31/78/347543178.db2.gz HZVAHGIOFUQLME-AWEZNQCLSA-N 1 1 280.375 3.202 20 30 CGEDMO CC1(C)CC[C@H](CO)[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000598649379 347675783 /nfs/dbraw/zinc/67/57/83/347675783.db2.gz UYYIEFHMZYHQGM-CQSZACIVSA-N 1 1 292.810 3.195 20 30 CGEDMO CN1CC[C@@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1(C)C ZINC000598982837 347703870 /nfs/dbraw/zinc/70/38/70/347703870.db2.gz QDIUJRKJEKGTEZ-SJLPKXTDSA-N 1 1 297.446 3.398 20 30 CGEDMO C[N@@H+]1CC[C@@H](N[C@@H]2CCCc3cc(C#N)ccc32)CC1(C)C ZINC000598982837 347703872 /nfs/dbraw/zinc/70/38/72/347703872.db2.gz QDIUJRKJEKGTEZ-SJLPKXTDSA-N 1 1 297.446 3.398 20 30 CGEDMO C[N@H+]1CC[C@@H](N[C@@H]2CCCc3cc(C#N)ccc32)CC1(C)C ZINC000598982837 347703873 /nfs/dbraw/zinc/70/38/73/347703873.db2.gz QDIUJRKJEKGTEZ-SJLPKXTDSA-N 1 1 297.446 3.398 20 30 CGEDMO CC[C@@H](NC[C@@H]1CCCC[N@H+](C)C1)c1ccc(C#N)cc1 ZINC000599071995 347714693 /nfs/dbraw/zinc/71/46/93/347714693.db2.gz WBBZOIPBZCJGNO-FUHWJXTLSA-N 1 1 285.435 3.331 20 30 CGEDMO CC[C@@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1ccc(C#N)cc1 ZINC000599071995 347714696 /nfs/dbraw/zinc/71/46/96/347714696.db2.gz WBBZOIPBZCJGNO-FUHWJXTLSA-N 1 1 285.435 3.331 20 30 CGEDMO Cc1ccc([C@H](C)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598585585 347666694 /nfs/dbraw/zinc/66/66/94/347666694.db2.gz GJFSLFMAPNDMJN-HOCLYGCPSA-N 1 1 274.408 3.289 20 30 CGEDMO CC[N@H+](Cc1ccccc1C)C[C@H](O)CC(C)(C)C#N ZINC000598586951 347667027 /nfs/dbraw/zinc/66/70/27/347667027.db2.gz LQKCQSOMLZYHHE-MRXNPFEDSA-N 1 1 274.408 3.118 20 30 CGEDMO C[C@H](c1cc(F)ccc1F)[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598585515 347667041 /nfs/dbraw/zinc/66/70/41/347667041.db2.gz FPNOBYJIGVHAEG-DGCLKSJQSA-N 1 1 296.361 3.258 20 30 CGEDMO C[C@@H]1CC[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@@H]2CCCC[C@@H]12 ZINC000598588327 347667601 /nfs/dbraw/zinc/66/76/01/347667601.db2.gz ITQQOZNEMJJESC-LVQVYYBASA-N 1 1 278.440 3.188 20 30 CGEDMO C[N@H+](Cc1ccc(F)cc1Cl)C[C@H](O)CC(C)(C)C#N ZINC000598588128 347667784 /nfs/dbraw/zinc/66/77/84/347667784.db2.gz HSXXYYXCQHDGCV-CYBMUJFWSA-N 1 1 298.789 3.212 20 30 CGEDMO C=CC[C@H]1[N@@H+](C[C@@H](O)CC(C)(C)C#N)CCCC1(C)C ZINC000598615392 347671663 /nfs/dbraw/zinc/67/16/63/347671663.db2.gz XYLFOIDHEWNUMR-LSDHHAIUSA-N 1 1 278.440 3.354 20 30 CGEDMO C[C@]12CCCC[C@H]1C[N@@H+]2Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000599672647 347763068 /nfs/dbraw/zinc/76/30/68/347763068.db2.gz XZFGWSYZFQVVLJ-BBRMVZONSA-N 1 1 285.347 3.231 20 30 CGEDMO C[C@]12CCCC[C@H]1C[N@H+]2Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000599672647 347763069 /nfs/dbraw/zinc/76/30/69/347763069.db2.gz XZFGWSYZFQVVLJ-BBRMVZONSA-N 1 1 285.347 3.231 20 30 CGEDMO C[C@@H](c1ccccn1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677829 347765255 /nfs/dbraw/zinc/76/52/55/347765255.db2.gz PBLXCUKJEMMNPU-AWEZNQCLSA-N 1 1 277.371 3.267 20 30 CGEDMO N#CCc1cccc2c1CC[N@@H+](CC1CCCC1)C2 ZINC000599685253 347765818 /nfs/dbraw/zinc/76/58/18/347765818.db2.gz CBQJUEPOLFBCFF-UHFFFAOYSA-N 1 1 254.377 3.301 20 30 CGEDMO C=CCCCC[N@H+]1[C@H](C)C[C@@H](C(=O)OC)C[C@@H]1C ZINC000599689067 347765993 /nfs/dbraw/zinc/76/59/93/347765993.db2.gz COGVLLDQMMJORN-BTTYYORXSA-N 1 1 253.386 3.005 20 30 CGEDMO N#CCc1cccc2c1CC[N@@H+](CCOc1ccccc1)C2 ZINC000599685300 347766097 /nfs/dbraw/zinc/76/60/97/347766097.db2.gz DEEABDXVKOIDHM-UHFFFAOYSA-N 1 1 292.382 3.190 20 30 CGEDMO C=CCCCCC[N@H+]1[C@H](C)C[C@@H](C(=O)OC)C[C@@H]1C ZINC000599692713 347766632 /nfs/dbraw/zinc/76/66/32/347766632.db2.gz AQVHBSHFSGTKIZ-QDMKHBRRSA-N 1 1 267.413 3.395 20 30 CGEDMO CO[C@@H](C)C[N@@H+](Cc1ccc(C)c(C#N)c1)C(C)C ZINC000599299846 347733845 /nfs/dbraw/zinc/73/38/45/347733845.db2.gz OLEKJSHIRLVZSW-AWEZNQCLSA-N 1 1 260.381 3.112 20 30 CGEDMO Cc1csc([C@@H](C)[NH2+]Cc2ccc(C)c(C#N)c2)n1 ZINC000599358844 347739453 /nfs/dbraw/zinc/73/94/53/347739453.db2.gz NCWOFATVFGFZBL-GFCCVEGCSA-N 1 1 271.389 3.482 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+](C)Cc1ccc(C(=O)OC)cn1 ZINC000599447307 347745223 /nfs/dbraw/zinc/74/52/23/347745223.db2.gz BNXVFQHWCNGWNP-CYBMUJFWSA-N 1 1 276.380 3.045 20 30 CGEDMO Cc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)cc1C#N ZINC000599436372 347745673 /nfs/dbraw/zinc/74/56/73/347745673.db2.gz JOMUTICMDNTEKZ-MOPGFXCFSA-N 1 1 292.382 3.175 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@H](c3cccnc3)C2)cc1C#N ZINC000599454805 347747030 /nfs/dbraw/zinc/74/70/30/347747030.db2.gz CEDCLHLREYHWTM-KRWDZBQOSA-N 1 1 277.371 3.251 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CCCCCC(=O)OCC)C1 ZINC000599526453 347750567 /nfs/dbraw/zinc/75/05/67/347750567.db2.gz LYPYXOXWMFYRPJ-AWEZNQCLSA-N 1 1 253.386 3.008 20 30 CGEDMO CC1(C)CCC(C)(C)[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000599538527 347752387 /nfs/dbraw/zinc/75/23/87/347752387.db2.gz OCONJACKMLGXQD-UHFFFAOYSA-N 1 1 257.381 3.354 20 30 CGEDMO CCOCC[N@H+](CC1(C#N)CC1)[C@@H]1CCc2ccccc21 ZINC000599626737 347759621 /nfs/dbraw/zinc/75/96/21/347759621.db2.gz ZJFFQXKYHUIOTJ-QGZVFWFLSA-N 1 1 284.403 3.316 20 30 CGEDMO CCOCC[N@@H+](CC1(C#N)CC1)[C@@H]1CCc2ccccc21 ZINC000599626737 347759623 /nfs/dbraw/zinc/75/96/23/347759623.db2.gz ZJFFQXKYHUIOTJ-QGZVFWFLSA-N 1 1 284.403 3.316 20 30 CGEDMO C[C@@H](CCC#N)C[NH+]1CCN(CC2CCCCC2)CC1 ZINC000602437721 347957924 /nfs/dbraw/zinc/95/79/24/347957924.db2.gz JXAVHEJFXQXHTI-INIZCTEOSA-N 1 1 277.456 3.124 20 30 CGEDMO CC1CCC([N@@H+](Cc2cccc(C#N)n2)C2CC2)CC1 ZINC000602439504 347958031 /nfs/dbraw/zinc/95/80/31/347958031.db2.gz HFSIKYFPIXCAQU-UHFFFAOYSA-N 1 1 269.392 3.496 20 30 CGEDMO C[C@H](CCC#N)C[NH+]1CCN(CC2CCCCC2)CC1 ZINC000602437723 347958041 /nfs/dbraw/zinc/95/80/41/347958041.db2.gz JXAVHEJFXQXHTI-MRXNPFEDSA-N 1 1 277.456 3.124 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000602439387 347958417 /nfs/dbraw/zinc/95/84/17/347958417.db2.gz DMKPXSKYALWPAF-AWEZNQCLSA-N 1 1 267.376 3.463 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)Cc1ccc(Br)o1 ZINC000602438781 347958455 /nfs/dbraw/zinc/95/84/55/347958455.db2.gz AECBUQVEAVDKHM-SNVBAGLBSA-N 1 1 285.185 3.414 20 30 CGEDMO CC[N@H+](Cc1ccc(OC)cc1OC)C[C@@H](C)CCC#N ZINC000602443568 347959420 /nfs/dbraw/zinc/95/94/20/347959420.db2.gz JJCVXZUVMGFJMD-AWEZNQCLSA-N 1 1 290.407 3.466 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCOc2ccccc2[C@@H]1C ZINC000602446762 347959440 /nfs/dbraw/zinc/95/94/40/347959440.db2.gz AHXBFLLHLDACMH-KGLIPLIRSA-N 1 1 258.365 3.382 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1C[C@H](c2ccccc2)OC[C@H]1C ZINC000602457242 347960878 /nfs/dbraw/zinc/96/08/78/347960878.db2.gz CKGHDAQKIDAKOK-BFYDXBDKSA-N 1 1 272.392 3.388 20 30 CGEDMO C[C@H](C[N@@H+](C)Cc1cccc(C#N)n1)c1ccccc1 ZINC000602459870 347962032 /nfs/dbraw/zinc/96/20/32/347962032.db2.gz VPQSEZPAVVAPHH-CQSZACIVSA-N 1 1 265.360 3.189 20 30 CGEDMO COc1ccc(C[N@@H+](C)C[C@@H](C)CCC#N)cc1C ZINC000602461166 347962320 /nfs/dbraw/zinc/96/23/20/347962320.db2.gz BQVINPBHALQBAI-ZDUSSCGKSA-N 1 1 260.381 3.375 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000602461974 347962327 /nfs/dbraw/zinc/96/23/27/347962327.db2.gz KGWURZGFCPQXBC-HNNXBMFYSA-N 1 1 282.391 3.352 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000602468417 347963082 /nfs/dbraw/zinc/96/30/82/347963082.db2.gz NSIDBUZXWCRQGZ-HKUYNNGSSA-N 1 1 299.462 3.380 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000602468417 347963083 /nfs/dbraw/zinc/96/30/83/347963083.db2.gz NSIDBUZXWCRQGZ-HKUYNNGSSA-N 1 1 299.462 3.380 20 30 CGEDMO CCC[N@@H+](C[C@H](C)CCC#N)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000602471977 347964121 /nfs/dbraw/zinc/96/41/21/347964121.db2.gz MZQHEKOFIJIPBB-FPCVCCKLSA-N 1 1 278.440 3.452 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000602480160 347965707 /nfs/dbraw/zinc/96/57/07/347965707.db2.gz UNYZRWMDDMOEBJ-JSGCOSHPSA-N 1 1 264.394 3.061 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000602480160 347965709 /nfs/dbraw/zinc/96/57/09/347965709.db2.gz UNYZRWMDDMOEBJ-JSGCOSHPSA-N 1 1 264.394 3.061 20 30 CGEDMO CC(C)CC[C@@H]1CCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602483757 347967125 /nfs/dbraw/zinc/96/71/25/347967125.db2.gz LLBGCTYCNZLNBF-INIZCTEOSA-N 1 1 257.381 3.354 20 30 CGEDMO C[C@H]1C[N@H+](Cc2cccc(C#N)n2)[C@@H]1c1ccccc1 ZINC000602486583 347967981 /nfs/dbraw/zinc/96/79/81/347967981.db2.gz VBOFZYLBGUJNAB-GUYCJALGSA-N 1 1 263.344 3.146 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cccc(C#N)n2)[C@@H]1c1ccccc1 ZINC000602486583 347967985 /nfs/dbraw/zinc/96/79/85/347967985.db2.gz VBOFZYLBGUJNAB-GUYCJALGSA-N 1 1 263.344 3.146 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)C[C@@H]1CCO[C@@H]1C ZINC000602775810 348027529 /nfs/dbraw/zinc/02/75/29/348027529.db2.gz BEZHQCOSSUWLDN-HIFRSBDPSA-N 1 1 252.402 3.063 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000602620116 347995514 /nfs/dbraw/zinc/99/55/14/347995514.db2.gz UTMKEVVRRHTVJJ-YOEHRIQHSA-N 1 1 270.376 3.058 20 30 CGEDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](CC2(CC#N)CC2)C1 ZINC000602782564 348028571 /nfs/dbraw/zinc/02/85/71/348028571.db2.gz CZNWXODFBUGOJT-AWEZNQCLSA-N 1 1 292.423 3.124 20 30 CGEDMO Cc1ccccc1[C@]1(F)CC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602653348 348001152 /nfs/dbraw/zinc/00/11/52/348001152.db2.gz PYYIYFHWFFAAIY-SFHVURJKSA-N 1 1 295.361 3.332 20 30 CGEDMO Cc1ccccc1[C@]1(F)CC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602653348 348001154 /nfs/dbraw/zinc/00/11/54/348001154.db2.gz PYYIYFHWFFAAIY-SFHVURJKSA-N 1 1 295.361 3.332 20 30 CGEDMO N#Cc1cccc(C[NH+]2CCC(CC(F)(F)F)CC2)n1 ZINC000602653192 348001487 /nfs/dbraw/zinc/00/14/87/348001487.db2.gz NHIOPTPPMAUKLK-UHFFFAOYSA-N 1 1 283.297 3.118 20 30 CGEDMO C[C@@H](CCC#N)CN1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000602668567 348005024 /nfs/dbraw/zinc/00/50/24/348005024.db2.gz CUEVDHBLLXAZPA-DOTOQJQBSA-N 1 1 283.419 3.411 20 30 CGEDMO COCCCCc1ccc[nH+]c1NC[C@H](C)CCC#N ZINC000602671847 348005829 /nfs/dbraw/zinc/00/58/29/348005829.db2.gz LQFYWCOTOPZWLC-CQSZACIVSA-N 1 1 275.396 3.402 20 30 CGEDMO C[C@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602675290 348006590 /nfs/dbraw/zinc/00/65/90/348006590.db2.gz LNDGSKKCQNMQND-QWRGUYRKSA-N 1 1 283.297 3.116 20 30 CGEDMO C[C@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1cccc(C#N)n1 ZINC000602675290 348006592 /nfs/dbraw/zinc/00/65/92/348006592.db2.gz LNDGSKKCQNMQND-QWRGUYRKSA-N 1 1 283.297 3.116 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000602688329 348009684 /nfs/dbraw/zinc/00/96/84/348009684.db2.gz AZHWKFWNBOQWJG-DLBZAZTESA-N 1 1 285.435 3.133 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000602691190 348009809 /nfs/dbraw/zinc/00/98/09/348009809.db2.gz DPBHHHSINHXBHF-DAXOMENPSA-N 1 1 292.810 3.388 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000602698349 348012019 /nfs/dbraw/zinc/01/20/19/348012019.db2.gz NSYDGOJGQCVTMQ-QLFBSQMISA-N 1 1 294.439 3.368 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cccc2c1CCOC2 ZINC000602760345 348024281 /nfs/dbraw/zinc/02/42/81/348024281.db2.gz QNAHMAMTCVWZLN-UHFFFAOYSA-N 1 1 292.382 3.263 20 30 CGEDMO COc1ccc([C@@H]2CC[N@@H+](CC3(CC#N)CC3)C2)cc1 ZINC000602769889 348026630 /nfs/dbraw/zinc/02/66/30/348026630.db2.gz KVAFYTUDKGALPB-OAHLLOKOSA-N 1 1 270.376 3.178 20 30 CGEDMO Cc1cccnc1[C@H]([NH2+]Cc1cccc(C#N)n1)C(C)C ZINC000602547272 347980207 /nfs/dbraw/zinc/98/02/07/347980207.db2.gz NCAPGFPYFMKMOY-MRXNPFEDSA-N 1 1 280.375 3.144 20 30 CGEDMO N#CCC1(C[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)CC1 ZINC000602793671 348030585 /nfs/dbraw/zinc/03/05/85/348030585.db2.gz CNIJQQKJHABJNL-HNNXBMFYSA-N 1 1 294.402 3.195 20 30 CGEDMO CC(C)[N@@H+](CCc1nccs1)CC1(CC#N)CC1 ZINC000602796897 348030707 /nfs/dbraw/zinc/03/07/07/348030707.db2.gz APDGYTOEKQQNDO-UHFFFAOYSA-N 1 1 263.410 3.090 20 30 CGEDMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CC1(CC#N)CC1 ZINC000602807183 348032535 /nfs/dbraw/zinc/03/25/35/348032535.db2.gz QUMIKHNMXVWSFK-GHMZBOCLSA-N 1 1 260.303 3.343 20 30 CGEDMO CC[C@](C)(O)C[N@@H+](Cc1ccccc1)CC1(CC#N)CC1 ZINC000602815394 348033372 /nfs/dbraw/zinc/03/33/72/348033372.db2.gz KRKJWOWZGQGWQT-KRWDZBQOSA-N 1 1 286.419 3.343 20 30 CGEDMO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1CC1(CC#N)CC1 ZINC000602835299 348034983 /nfs/dbraw/zinc/03/49/83/348034983.db2.gz ACRVCLWBVFZKFX-AWEZNQCLSA-N 1 1 287.382 3.030 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1cnc(OC)c2ccccc12 ZINC000602840395 348035723 /nfs/dbraw/zinc/03/57/23/348035723.db2.gz HFFUZSSQVPQUSS-ZDUSSCGKSA-N 1 1 269.348 3.025 20 30 CGEDMO C[N@@H+](CC1CCC(F)(F)CC1)[C@H]1CCC[C@H]1C#N ZINC000602981292 348051376 /nfs/dbraw/zinc/05/13/76/348051376.db2.gz AXKITHUWDGVQTC-STQMWFEESA-N 1 1 256.340 3.436 20 30 CGEDMO CC[C@]1(O)CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000602983931 348052002 /nfs/dbraw/zinc/05/20/02/348052002.db2.gz XKOGCFYYJAHQDA-SFHVURJKSA-N 1 1 286.419 3.225 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H](C3CCC3)CC2)ccn1 ZINC000603000241 348053870 /nfs/dbraw/zinc/05/38/70/348053870.db2.gz YIRYFJMDHBGFBD-MRXNPFEDSA-N 1 1 269.392 3.355 20 30 CGEDMO C=CCCCCC[N@H+](C)CC(=O)N1CCCC[C@@H]1CC ZINC000606902241 348206343 /nfs/dbraw/zinc/20/63/43/348206343.db2.gz FNZXIGNXLQBVEO-INIZCTEOSA-N 1 1 280.456 3.456 20 30 CGEDMO CC[N@@H+](Cc1ccc(F)cc1C#N)[C@H]1CCOC(C)(C)C1 ZINC000351960677 219264432 /nfs/dbraw/zinc/26/44/32/219264432.db2.gz WWEXZHDPBOWGCW-INIZCTEOSA-N 1 1 290.382 3.477 20 30 CGEDMO C[C@H](CC#N)[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000609030736 348334940 /nfs/dbraw/zinc/33/49/40/348334940.db2.gz AXVWVZLOVXGYRU-SNVBAGLBSA-N 1 1 272.270 3.019 20 30 CGEDMO C[C@@H]1CCC[C@H](C)[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000610215345 348366596 /nfs/dbraw/zinc/36/65/96/348366596.db2.gz FAPBCRSBGGSHDM-CABCVRRESA-N 1 1 272.392 3.448 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc2nc[nH]c2c1)c1cccc(C#N)c1 ZINC000610345037 348376456 /nfs/dbraw/zinc/37/64/56/348376456.db2.gz QMZLTOQGJNAGEF-LBPRGKRZSA-N 1 1 276.343 3.285 20 30 CGEDMO CC[N@@H+](Cc1ccc(C)cc1)Cc1ccnc(C#N)c1 ZINC000610991612 348413912 /nfs/dbraw/zinc/41/39/12/348413912.db2.gz OTKBOKMTNYOLNZ-UHFFFAOYSA-N 1 1 265.360 3.284 20 30 CGEDMO CCC[N@@H+](Cc1ccc(OC)cc1)Cc1ccnc(C#N)c1 ZINC000610991402 348414173 /nfs/dbraw/zinc/41/41/73/348414173.db2.gz IQVXRAQYPAPKJO-UHFFFAOYSA-N 1 1 295.386 3.374 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)ccn1 ZINC000610991191 348414272 /nfs/dbraw/zinc/41/42/72/348414272.db2.gz BSQQPRUGZKVNLY-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)ccn1 ZINC000610991191 348414274 /nfs/dbraw/zinc/41/42/74/348414274.db2.gz BSQQPRUGZKVNLY-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1ccnc(C#N)c1 ZINC000610993189 348415183 /nfs/dbraw/zinc/41/51/83/348415183.db2.gz GONDKDSSWZQFJF-CZUORRHYSA-N 1 1 295.361 3.470 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)Cc1ccccc1-n1cncn1 ZINC000611268819 348432773 /nfs/dbraw/zinc/43/27/73/348432773.db2.gz OROJRARHQGILSL-UHFFFAOYSA-N 1 1 297.406 3.029 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)Cc1ccccc1-n1cncn1 ZINC000611268819 348432777 /nfs/dbraw/zinc/43/27/77/348432777.db2.gz OROJRARHQGILSL-UHFFFAOYSA-N 1 1 297.406 3.029 20 30 CGEDMO Cc1occc1C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000611587784 348462585 /nfs/dbraw/zinc/46/25/85/348462585.db2.gz CHJMFNGWCQWGRU-SNVBAGLBSA-N 1 1 258.296 3.450 20 30 CGEDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000612090067 348493053 /nfs/dbraw/zinc/49/30/53/348493053.db2.gz TWHYDSAYZFJUNH-GOSISDBHSA-N 1 1 294.402 3.132 20 30 CGEDMO CC(C)CSCCC[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612167113 348499448 /nfs/dbraw/zinc/49/94/48/348499448.db2.gz HYSNDJLNRIWXPI-CQSZACIVSA-N 1 1 254.443 3.391 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CCCO1 ZINC000614166444 348653789 /nfs/dbraw/zinc/65/37/89/348653789.db2.gz IXBUJZRQQAOIBX-CQSZACIVSA-N 1 1 272.392 3.099 20 30 CGEDMO C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614177402 348655051 /nfs/dbraw/zinc/65/50/51/348655051.db2.gz MHGBBWUHZPXSLX-YOEHRIQHSA-N 1 1 286.419 3.223 20 30 CGEDMO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614174125 348655119 /nfs/dbraw/zinc/65/51/19/348655119.db2.gz BVCLGYXRAFXDFL-KGLIPLIRSA-N 1 1 272.392 3.097 20 30 CGEDMO C[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000614247867 348662374 /nfs/dbraw/zinc/66/23/74/348662374.db2.gz MIGCHBHKLLXBLL-RDJZCZTQSA-N 1 1 256.393 3.491 20 30 CGEDMO CC[N@@H+](Cc1ccoc1)Cc1ccc(C#N)cc1C ZINC000614397433 348673215 /nfs/dbraw/zinc/67/32/15/348673215.db2.gz WDNNHENUTROXBJ-UHFFFAOYSA-N 1 1 254.333 3.482 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCO[C@@H](C3CC3)C2)cc1 ZINC000614408627 348674932 /nfs/dbraw/zinc/67/49/32/348674932.db2.gz VKPULDMZNWTNFH-QGZVFWFLSA-N 1 1 284.403 3.099 20 30 CGEDMO CCn1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2C)c1 ZINC000616785217 348877471 /nfs/dbraw/zinc/87/74/71/348877471.db2.gz CLTXRLNXTIFWII-UHFFFAOYSA-N 1 1 267.376 3.320 20 30 CGEDMO CCOc1ncccc1C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000358568627 233157573 /nfs/dbraw/zinc/15/75/73/233157573.db2.gz LLCJCCUTFYCFMW-LBPRGKRZSA-N 1 1 299.349 3.342 20 30 CGEDMO Cc1ccc(C[N@@H+](C)Cc2ccc(C#N)c(C)c2)nc1 ZINC000618611237 349121631 /nfs/dbraw/zinc/12/16/31/349121631.db2.gz FXIMGAYJWKMMBN-UHFFFAOYSA-N 1 1 265.360 3.202 20 30 CGEDMO N#Cc1ccc2c(c1)CC[C@H]2Nc1cc[nH+]cc1Cl ZINC000618694014 349145407 /nfs/dbraw/zinc/14/54/07/349145407.db2.gz WSSXOGRYYIUGCY-CQSZACIVSA-N 1 1 269.735 3.128 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000618887704 349175291 /nfs/dbraw/zinc/17/52/91/349175291.db2.gz FLNFDYFQVWSCQT-CKEIUWERSA-N 1 1 272.392 3.250 20 30 CGEDMO C[C@@H]1C[C@H](C)[N@@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000619431650 349249838 /nfs/dbraw/zinc/24/98/38/349249838.db2.gz UKXAHXJOUJJZCY-GASCZTMLSA-N 1 1 294.402 3.446 20 30 CGEDMO COc1ccc(C[NH2+]CC2(C#N)CC2)cc1OCC(C)C ZINC000619535282 349257671 /nfs/dbraw/zinc/25/76/71/349257671.db2.gz LAMJJGQLYWWCSN-UHFFFAOYSA-N 1 1 288.391 3.123 20 30 CGEDMO CC(C)[N@@H+](CCCC1(C#N)CCOCC1)CC1CC1 ZINC000619620843 349262906 /nfs/dbraw/zinc/26/29/06/349262906.db2.gz KNHFARDAHFGALY-UHFFFAOYSA-N 1 1 264.413 3.207 20 30 CGEDMO Cc1cc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)nn1C ZINC000619723840 349278837 /nfs/dbraw/zinc/27/88/37/349278837.db2.gz OJEPCJZZKHXIQJ-CHWSQXEVSA-N 1 1 268.364 3.012 20 30 CGEDMO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000619720805 349278850 /nfs/dbraw/zinc/27/88/50/349278850.db2.gz XWYKAIQWTPARKD-CJNGLKHVSA-N 1 1 291.366 3.123 20 30 CGEDMO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000619720805 349278853 /nfs/dbraw/zinc/27/88/53/349278853.db2.gz XWYKAIQWTPARKD-CJNGLKHVSA-N 1 1 291.366 3.123 20 30 CGEDMO N#Cc1ccc(CNc2cc[nH+]cc2Cl)cc1Cl ZINC000619746739 349281055 /nfs/dbraw/zinc/28/10/55/349281055.db2.gz LVAIAYDULIFXJJ-UHFFFAOYSA-N 1 1 278.142 3.294 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2csc([C@H](C)OC)n2)C1 ZINC000625699960 350198590 /nfs/dbraw/zinc/19/85/90/350198590.db2.gz FPWNXTUTSNSLRB-NWDGAFQWSA-N 1 1 266.410 3.249 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2csc([C@H](C)OC)n2)C1 ZINC000625699960 350198594 /nfs/dbraw/zinc/19/85/94/350198594.db2.gz FPWNXTUTSNSLRB-NWDGAFQWSA-N 1 1 266.410 3.249 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CC(=O)Nc2c(C)cccc2C)C1 ZINC000625699918 350198699 /nfs/dbraw/zinc/19/86/99/350198699.db2.gz DXWBXKHPMZZFDE-HNNXBMFYSA-N 1 1 272.392 3.140 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000625535956 350182504 /nfs/dbraw/zinc/18/25/04/350182504.db2.gz YAUITCWTTZPRMC-NVXWUHKLSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2nc(Cc3ccccc3)no2)C1 ZINC000625704444 350200902 /nfs/dbraw/zinc/20/09/02/350200902.db2.gz UAHCDTLRDJADAY-HNNXBMFYSA-N 1 1 283.375 3.058 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2C)C1 ZINC000628405332 350528205 /nfs/dbraw/zinc/52/82/05/350528205.db2.gz JJUXFZQBUNGKBY-AWEZNQCLSA-N 1 1 275.392 3.410 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000628405732 350529532 /nfs/dbraw/zinc/52/95/32/350529532.db2.gz SRIMPXNRLIWVPS-OAHLLOKOSA-N 1 1 271.408 3.080 20 30 CGEDMO Cn1cc(C[N@H+]2CCC23CCC3)c(-c2ccc(C#N)cc2)n1 ZINC000336504790 213380178 /nfs/dbraw/zinc/38/01/78/213380178.db2.gz IJLYCLPTOYGXAX-UHFFFAOYSA-N 1 1 292.386 3.087 20 30 CGEDMO C[C@H]1C[N@H+](Cc2ccc(C#N)s2)CCC1(F)F ZINC000291499272 198038071 /nfs/dbraw/zinc/03/80/71/198038071.db2.gz HHXUQTWCVZXMFV-VIFPVBQESA-N 1 1 256.321 3.097 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)s2)CCC1(F)F ZINC000291499272 198038072 /nfs/dbraw/zinc/03/80/72/198038072.db2.gz HHXUQTWCVZXMFV-VIFPVBQESA-N 1 1 256.321 3.097 20 30 CGEDMO C=CCC1(NC(=O)Cn2cc[nH+]c2C(C)C)CCCCC1 ZINC000635994763 351709892 /nfs/dbraw/zinc/70/98/92/351709892.db2.gz JKMBDLIAVJRODO-UHFFFAOYSA-N 1 1 289.423 3.402 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)ccc1F ZINC000121530016 186979213 /nfs/dbraw/zinc/97/92/13/186979213.db2.gz LCAKPKWGOHANEK-BBRMVZONSA-N 1 1 258.340 3.462 20 30 CGEDMO CC(C)([NH2+]Cc1ccc(C#N)o1)c1ccccc1F ZINC000291748511 198078644 /nfs/dbraw/zinc/07/86/44/198078644.db2.gz PWXTZENTKMVKFQ-UHFFFAOYSA-N 1 1 258.296 3.315 20 30 CGEDMO CSC[C@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000292120423 198170323 /nfs/dbraw/zinc/17/03/23/198170323.db2.gz AJHIBRUFNPILSN-ZDUSSCGKSA-N 1 1 278.396 3.272 20 30 CGEDMO CSC[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000292388451 198269358 /nfs/dbraw/zinc/26/93/58/198269358.db2.gz KFPDHDOEKBALHU-OAHLLOKOSA-N 1 1 260.406 3.133 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(OC)c(OCc2cccnc2)c1 ZINC000154759086 188159970 /nfs/dbraw/zinc/15/99/70/188159970.db2.gz DBDHZAJONWWTCW-UHFFFAOYSA-N 1 1 298.386 3.287 20 30 CGEDMO CC#CCC[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000155664546 188220196 /nfs/dbraw/zinc/22/01/96/188220196.db2.gz PICXLVUAYQUQSJ-UHFFFAOYSA-N 1 1 271.404 3.329 20 30 CGEDMO N#Cc1cccc(Cl)c1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000369672401 234392183 /nfs/dbraw/zinc/39/21/83/234392183.db2.gz NLANBIHTBNRNQM-STQMWFEESA-N 1 1 275.783 3.250 20 30 CGEDMO CC[N@@H+](CCC(C)(C)C#N)C[C@H]1COc2ccccc2O1 ZINC000157569997 188324513 /nfs/dbraw/zinc/32/45/13/188324513.db2.gz OIEWKMOMCZVNMH-AWEZNQCLSA-N 1 1 288.391 3.088 20 30 CGEDMO CC[N@@H+](CCC(C)(C)C#N)C[C@@H]1COc2ccccc2O1 ZINC000157569849 188324815 /nfs/dbraw/zinc/32/48/15/188324815.db2.gz OIEWKMOMCZVNMH-CQSZACIVSA-N 1 1 288.391 3.088 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000336420678 213278493 /nfs/dbraw/zinc/27/84/93/213278493.db2.gz OFCZPLICSDMEKX-KRWDZBQOSA-N 1 1 288.366 3.088 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000336413626 213270934 /nfs/dbraw/zinc/27/09/34/213270934.db2.gz GZVDEFOVGKATIM-CZUORRHYSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000336413626 213270937 /nfs/dbraw/zinc/27/09/37/213270937.db2.gz GZVDEFOVGKATIM-CZUORRHYSA-N 1 1 290.794 3.213 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000271744068 191301652 /nfs/dbraw/zinc/30/16/52/191301652.db2.gz WZZUFCYPZKFWTG-HNNXBMFYSA-N 1 1 281.403 3.464 20 30 CGEDMO C#CCCC[N@H+]1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000271744068 191301655 /nfs/dbraw/zinc/30/16/55/191301655.db2.gz WZZUFCYPZKFWTG-HNNXBMFYSA-N 1 1 281.403 3.464 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000271744068 191301657 /nfs/dbraw/zinc/30/16/57/191301657.db2.gz WZZUFCYPZKFWTG-HNNXBMFYSA-N 1 1 281.403 3.464 20 30 CGEDMO C[C@H]1CCC(C)(C)[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000411803740 235082822 /nfs/dbraw/zinc/08/28/22/235082822.db2.gz FUDXDCRPYLQSNS-ZDUSSCGKSA-N 1 1 285.391 3.150 20 30 CGEDMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000412033186 235108776 /nfs/dbraw/zinc/10/87/76/235108776.db2.gz CQBGIYLHVJJOMB-GFCCVEGCSA-N 1 1 296.374 3.229 20 30 CGEDMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000412036115 235111839 /nfs/dbraw/zinc/11/18/39/235111839.db2.gz GKUFYUVUEKWKKZ-GFCCVEGCSA-N 1 1 296.374 3.229 20 30 CGEDMO CC(C)C[C@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000093338489 138345056 /nfs/dbraw/zinc/34/50/56/138345056.db2.gz YUGWVIWNPXGIGX-CQSZACIVSA-N 1 1 282.391 3.074 20 30 CGEDMO N#Cc1cnc(N[C@H]2CC[N@H+](C3CCCC3)C2)c(Cl)c1 ZINC000114709789 138365372 /nfs/dbraw/zinc/36/53/72/138365372.db2.gz JPJFVIWXRSIHKH-LBPRGKRZSA-N 1 1 290.798 3.035 20 30 CGEDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccccc1C#N ZINC000124224562 138374219 /nfs/dbraw/zinc/37/42/19/138374219.db2.gz QJUUGVVLUXMEMI-YOEHRIQHSA-N 1 1 272.392 3.074 20 30 CGEDMO N#Cc1ccc2c(c1)[C@@H](N[C@@H](C[NH3+])C1CCCCC1)CC2 ZINC000423265729 236014110 /nfs/dbraw/zinc/01/41/10/236014110.db2.gz RGJIRTHPURBNII-ROUUACIJSA-N 1 1 283.419 3.043 20 30 CGEDMO CCn1nccc1CC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425534206 236257939 /nfs/dbraw/zinc/25/79/39/236257939.db2.gz LREINNFDVPRHNB-AWEZNQCLSA-N 1 1 282.391 3.010 20 30 CGEDMO CC[N@@H+](Cc1ccnc(N)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000298255565 200373113 /nfs/dbraw/zinc/37/31/13/200373113.db2.gz USNJNVSCWDGPLU-ZDUSSCGKSA-N 1 1 280.375 3.119 20 30 CGEDMO CCCC[N@H+]1CCCC[C@H]1CNc1snc(C)c1C#N ZINC000341843057 216122983 /nfs/dbraw/zinc/12/29/83/216122983.db2.gz LSFGLKKAZIZYFL-ZDUSSCGKSA-N 1 1 292.452 3.390 20 30 CGEDMO COCC[N@@H+](CCC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000341872998 216133401 /nfs/dbraw/zinc/13/34/01/216133401.db2.gz QSXQZJSTKRBQAN-UHFFFAOYSA-N 1 1 274.408 3.443 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@H](CO)c2ccsc2)c(Cl)c1 ZINC000439436708 238255141 /nfs/dbraw/zinc/25/51/41/238255141.db2.gz HZESIMDWSQHDJD-CQSZACIVSA-N 1 1 292.791 3.096 20 30 CGEDMO Cc1cnc(CC[N@H+](C)Cc2ccc(C#N)cc2F)s1 ZINC000179472548 189196689 /nfs/dbraw/zinc/19/66/89/189196689.db2.gz VQSHVAKWWQINLS-UHFFFAOYSA-N 1 1 289.379 3.137 20 30 CGEDMO COC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccc(C)o1 ZINC000181848405 189308310 /nfs/dbraw/zinc/30/83/10/189308310.db2.gz GVZCMEFRRZRBLS-CJNGLKHVSA-N 1 1 284.359 3.498 20 30 CGEDMO C[C@H]1CCC[N@@H+](CCNc2cc(C#N)nc3ccccc32)C1 ZINC000301494887 201028288 /nfs/dbraw/zinc/02/82/88/201028288.db2.gz AGVRXZZJVDNBGU-AWEZNQCLSA-N 1 1 294.402 3.250 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCCN(c2ccccc2)CC1 ZINC000119602540 370690238 /nfs/dbraw/zinc/69/02/38/370690238.db2.gz KWNVXEMBTSQLHU-UHFFFAOYSA-N 1 1 271.408 3.139 20 30 CGEDMO N#Cc1ccc(F)c(CNc2cc[nH+]cc2Cl)c1 ZINC000301591244 201084727 /nfs/dbraw/zinc/08/47/27/201084727.db2.gz XNTXMQGRGTXNGU-UHFFFAOYSA-N 1 1 261.687 3.358 20 30 CGEDMO CC(C)C[N@H+]1CC[C@H](CNc2c(F)cc(C#N)cc2F)C1 ZINC000301621967 201101062 /nfs/dbraw/zinc/10/10/62/201101062.db2.gz YGOUZBIPFHUFLU-GFCCVEGCSA-N 1 1 293.361 3.226 20 30 CGEDMO C[C@H](C[N@@H+](C)Cc1ccc(C#N)s1)c1nccs1 ZINC000183263035 189352955 /nfs/dbraw/zinc/35/29/55/189352955.db2.gz ZDJBDTAIGHALRE-SNVBAGLBSA-N 1 1 277.418 3.312 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1ccc(C#N)cc1 ZINC000302149635 201367770 /nfs/dbraw/zinc/36/77/70/201367770.db2.gz AVFKXPCHBBRNJO-DNVCBOLYSA-N 1 1 291.398 3.491 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]2C2CCC2)ccc1F ZINC000119877623 370717683 /nfs/dbraw/zinc/71/76/83/370717683.db2.gz KMEVEGGFFAFMEL-MRXNPFEDSA-N 1 1 258.340 3.462 20 30 CGEDMO CC[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2OC)C1 ZINC000120546943 370779755 /nfs/dbraw/zinc/77/97/55/370779755.db2.gz PAVUTEMDQUKPMM-ZDUSSCGKSA-N 1 1 258.365 3.189 20 30 CGEDMO Cc1cc(Cn2c[nH+]c3c2C[C@H](C)[C@@H](C)C3)ccc1C#N ZINC000450996709 240186393 /nfs/dbraw/zinc/18/63/93/240186393.db2.gz GYEQBUALARSJQV-STQMWFEESA-N 1 1 279.387 3.482 20 30 CGEDMO COc1cccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)n1 ZINC000451380484 240289095 /nfs/dbraw/zinc/28/90/95/240289095.db2.gz CGPNFMZNCDTMHC-CYBMUJFWSA-N 1 1 281.359 3.155 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000121208701 370839650 /nfs/dbraw/zinc/83/96/50/370839650.db2.gz TZUXYWXJYZIIIT-NEPJUHHUSA-N 1 1 280.799 3.024 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)o1)Cc1ccccc1N1CCCC1 ZINC000121232161 370842080 /nfs/dbraw/zinc/84/20/80/370842080.db2.gz GZVKGJOUXYXSTF-UHFFFAOYSA-N 1 1 295.386 3.383 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)o1)Cc1ccccc1N1CCCC1 ZINC000121232161 370842083 /nfs/dbraw/zinc/84/20/83/370842083.db2.gz GZVKGJOUXYXSTF-UHFFFAOYSA-N 1 1 295.386 3.383 20 30 CGEDMO C[N@H+]1Cc2ccc(NCc3cc(C#N)cs3)cc2C1 ZINC000121311177 370850893 /nfs/dbraw/zinc/85/08/93/370850893.db2.gz AZRJOKXBCTZPDW-UHFFFAOYSA-N 1 1 269.373 3.177 20 30 CGEDMO C=CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000121423660 370859393 /nfs/dbraw/zinc/85/93/93/370859393.db2.gz LPYMFKQUJDCLHI-VIFPVBQESA-N 1 1 287.190 3.438 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000121423660 370859396 /nfs/dbraw/zinc/85/93/96/370859396.db2.gz LPYMFKQUJDCLHI-VIFPVBQESA-N 1 1 287.190 3.438 20 30 CGEDMO C=CC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1C(C)C ZINC000121254930 370844783 /nfs/dbraw/zinc/84/47/83/370844783.db2.gz IWFWICPNLRZTGS-CYBMUJFWSA-N 1 1 260.381 3.255 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1C(C)C ZINC000121254930 370844788 /nfs/dbraw/zinc/84/47/88/370844788.db2.gz IWFWICPNLRZTGS-CYBMUJFWSA-N 1 1 260.381 3.255 20 30 CGEDMO C[C@@H]([N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-])C1(C)CC1 ZINC000459349003 242085751 /nfs/dbraw/zinc/08/57/51/242085751.db2.gz SXONODYPYPEXIE-LLVKDONJSA-N 1 1 273.336 3.087 20 30 CGEDMO C[C@@H]([N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-])C1(C)CC1 ZINC000459349003 242085754 /nfs/dbraw/zinc/08/57/54/242085754.db2.gz SXONODYPYPEXIE-LLVKDONJSA-N 1 1 273.336 3.087 20 30 CGEDMO C=CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000121506623 370867418 /nfs/dbraw/zinc/86/74/18/370867418.db2.gz LKBRMHNFXLWZAD-VIFPVBQESA-N 1 1 287.190 3.438 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl ZINC000121506623 370867421 /nfs/dbraw/zinc/86/74/21/370867421.db2.gz LKBRMHNFXLWZAD-VIFPVBQESA-N 1 1 287.190 3.438 20 30 CGEDMO C[N@@H+](CCOc1ccc(C#N)cc1)[C@@H]1CCC(C)(C)C1 ZINC000483098052 243260629 /nfs/dbraw/zinc/26/06/29/243260629.db2.gz BVYJVFUQLABDRG-OAHLLOKOSA-N 1 1 272.392 3.448 20 30 CGEDMO N#CC1CC[NH+](Cc2c(F)cccc2N2CCCC2)CC1 ZINC000123775502 370915609 /nfs/dbraw/zinc/91/56/09/370915609.db2.gz VVYLWMNRZUACFU-UHFFFAOYSA-N 1 1 287.382 3.161 20 30 CGEDMO C=CCOc1ccc(C[N@H+](CC)C(C)C)cc1OC ZINC000126370533 370944433 /nfs/dbraw/zinc/94/44/33/370944433.db2.gz KMNUEJDIWZJSDM-UHFFFAOYSA-N 1 1 263.381 3.490 20 30 CGEDMO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2F)o1 ZINC000037980183 369130870 /nfs/dbraw/zinc/13/08/70/369130870.db2.gz CDBBPECSUXRTQS-LLVKDONJSA-N 1 1 258.296 3.450 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]CCN1CCCCCC1 ZINC000040433247 369155324 /nfs/dbraw/zinc/15/53/24/369155324.db2.gz LQFADXQSBMPHIV-UHFFFAOYSA-N 1 1 288.435 3.217 20 30 CGEDMO C[C@@H](NCC[NH+]1CCCCCC1)c1cccc(C#N)c1 ZINC000040767930 369162128 /nfs/dbraw/zinc/16/21/28/369162128.db2.gz HWNZKJYKDJTUAT-OAHLLOKOSA-N 1 1 271.408 3.085 20 30 CGEDMO CC(C)[N@H+]1CCCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000276078906 193207062 /nfs/dbraw/zinc/20/70/62/193207062.db2.gz HTCJAHCRVHSECM-HNNXBMFYSA-N 1 1 271.408 3.035 20 30 CGEDMO C#CC[NH+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC000054454995 369502926 /nfs/dbraw/zinc/50/29/26/369502926.db2.gz TWEXWVVTIQEHHC-UHFFFAOYSA-N 1 1 285.350 3.065 20 30 CGEDMO C[N@H+](CC#Cc1ccc(F)cc1)Cc1ccc2c(c1)OCO2 ZINC000129143942 370976329 /nfs/dbraw/zinc/97/63/29/370976329.db2.gz WTOVPBWILJPDFB-UHFFFAOYSA-N 1 1 297.329 3.038 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(F)cc1)Cc1ccc2c(c1)OCO2 ZINC000129143942 370976334 /nfs/dbraw/zinc/97/63/34/370976334.db2.gz WTOVPBWILJPDFB-UHFFFAOYSA-N 1 1 297.329 3.038 20 30 CGEDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000055386553 369516047 /nfs/dbraw/zinc/51/60/47/369516047.db2.gz QGHSUZUQWUMEQS-CZUORRHYSA-N 1 1 285.391 3.007 20 30 CGEDMO Cn1cccc1[C@H]1CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000057622662 369543254 /nfs/dbraw/zinc/54/32/54/369543254.db2.gz AEOQUSBGEUJEQX-QGZVFWFLSA-N 1 1 265.360 3.234 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000276370702 193303284 /nfs/dbraw/zinc/30/32/84/193303284.db2.gz GYOGDJBHJXGYOM-GFCCVEGCSA-N 1 1 287.363 3.314 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000276383096 193309586 /nfs/dbraw/zinc/30/95/86/193309586.db2.gz IJUJTAMQJMOFCO-LLVKDONJSA-N 1 1 298.333 3.123 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCOc2ccccc2C#N)CC1 ZINC000063302144 369646147 /nfs/dbraw/zinc/64/61/47/369646147.db2.gz GDJQYUZFUYVTOD-CQSZACIVSA-N 1 1 258.365 3.059 20 30 CGEDMO C=CCC[N@@H+](C)[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000276521180 193366609 /nfs/dbraw/zinc/36/66/09/193366609.db2.gz YXLWGSUIAOVGBH-ZDUSSCGKSA-N 1 1 271.364 3.229 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000276521180 193366611 /nfs/dbraw/zinc/36/66/11/193366611.db2.gz YXLWGSUIAOVGBH-ZDUSSCGKSA-N 1 1 271.364 3.229 20 30 CGEDMO C[C@H]1CCC[N@@H+](CCOc2ccccc2C#N)CC1 ZINC000070158103 369782215 /nfs/dbraw/zinc/78/22/15/369782215.db2.gz GDJQYUZFUYVTOD-AWEZNQCLSA-N 1 1 258.365 3.059 20 30 CGEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CCCC(C)(C)C#N ZINC000091081347 370071671 /nfs/dbraw/zinc/07/16/71/370071671.db2.gz JWZXDMAAJYACJO-AWEZNQCLSA-N 1 1 274.412 3.493 20 30 CGEDMO Cn1ncc2c1CCC[C@H]2[N@@H+](C)CC(C)(C)CCC#N ZINC000093864442 370164557 /nfs/dbraw/zinc/16/45/57/370164557.db2.gz XHYUYPNQMOSXOY-CQSZACIVSA-N 1 1 274.412 3.059 20 30 CGEDMO C[C@H](c1cccc(O)c1)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000109780824 370364782 /nfs/dbraw/zinc/36/47/82/370364782.db2.gz NXYWIWNSSIQCQR-CQSZACIVSA-N 1 1 296.370 3.336 20 30 CGEDMO Cc1ccc([C@H]2CSCC[N@H+]2CCCC#N)cc1 ZINC000116324888 370556635 /nfs/dbraw/zinc/55/66/35/370556635.db2.gz GWISPDNJCJAZMK-OAHLLOKOSA-N 1 1 260.406 3.389 20 30 CGEDMO C[C@@H]1SCC[N@H+](Cc2cn3ccccc3c2C#N)[C@H]1C ZINC000118417778 370615157 /nfs/dbraw/zinc/61/51/57/370615157.db2.gz QNFMIGJQNZSNSZ-STQMWFEESA-N 1 1 285.416 3.137 20 30 CGEDMO C[C@@H]1SCC[N@@H+](Cc2cn3ccccc3c2C#N)[C@H]1C ZINC000118417778 370615162 /nfs/dbraw/zinc/61/51/62/370615162.db2.gz QNFMIGJQNZSNSZ-STQMWFEESA-N 1 1 285.416 3.137 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+](C)Cc1ccc(F)cc1 ZINC000130415791 371032228 /nfs/dbraw/zinc/03/22/28/371032228.db2.gz YEKUTQZNGMRFMU-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](C)Cc1ccc(F)cc1 ZINC000130415791 371032235 /nfs/dbraw/zinc/03/22/35/371032235.db2.gz YEKUTQZNGMRFMU-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H](C)[C@H]1C ZINC000130453058 371034903 /nfs/dbraw/zinc/03/49/03/371034903.db2.gz HZZGQQGAAFHHTR-CHWSQXEVSA-N 1 1 258.365 3.187 20 30 CGEDMO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000132551445 371183257 /nfs/dbraw/zinc/18/32/57/371183257.db2.gz ZVDDTRIYDGYBIJ-CVEARBPZSA-N 1 1 285.366 3.134 20 30 CGEDMO C=CCC[N@H+](Cc1ccccc1OC)C[C@@H]1CCCO1 ZINC000133123484 371229340 /nfs/dbraw/zinc/22/93/40/371229340.db2.gz JWSIOUGIIZIWQZ-INIZCTEOSA-N 1 1 275.392 3.252 20 30 CGEDMO CC[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C1CC1 ZINC000133295598 371241689 /nfs/dbraw/zinc/24/16/89/371241689.db2.gz GGFPUCZGTWCNOL-UHFFFAOYSA-N 1 1 294.402 3.448 20 30 CGEDMO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ccccc1C#N ZINC000134221758 371313655 /nfs/dbraw/zinc/31/36/55/371313655.db2.gz ANHCMOWEVYLHMV-KUHUBIRLSA-N 1 1 292.382 3.382 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000134656335 371358261 /nfs/dbraw/zinc/35/82/61/371358261.db2.gz KUVKFBIXPQLPDP-NEPJUHHUSA-N 1 1 288.819 3.117 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000134656335 371358264 /nfs/dbraw/zinc/35/82/64/371358264.db2.gz KUVKFBIXPQLPDP-NEPJUHHUSA-N 1 1 288.819 3.117 20 30 CGEDMO COc1ccccc1[C@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC000135129784 371392627 /nfs/dbraw/zinc/39/26/27/371392627.db2.gz AQGKMMUJSHTRKR-NSHDSACASA-N 1 1 256.305 3.011 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@@H](C)c2ccco2)cc1C#N ZINC000135008510 371383377 /nfs/dbraw/zinc/38/33/77/371383377.db2.gz DBZNCQXBAQFHGD-LBPRGKRZSA-N 1 1 270.332 3.353 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](C(C)C)C1 ZINC000135398061 371422341 /nfs/dbraw/zinc/42/23/41/371422341.db2.gz SYNPEDOLVMLUSH-AWEZNQCLSA-N 1 1 258.365 3.045 20 30 CGEDMO CN(c1ccc(C#N)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286462078 371503628 /nfs/dbraw/zinc/50/36/28/371503628.db2.gz SUOKTXJKNSYZEW-NNQSOWQGSA-N 1 1 289.810 3.273 20 30 CGEDMO C=CC[NH+](CC=C)[C@H](CN[C@@H](C)c1cncs1)C(C)C ZINC000152067937 371670019 /nfs/dbraw/zinc/67/00/19/371670019.db2.gz FPEWYWSYBGCTOW-LSDHHAIUSA-N 1 1 293.480 3.492 20 30 CGEDMO C#C[C@@H](C)[NH2+]Cc1csc(-c2ccc(C)cc2)n1 ZINC000289317673 371754789 /nfs/dbraw/zinc/75/47/89/371754789.db2.gz FKEQVIUIWQOWRK-GFCCVEGCSA-N 1 1 256.374 3.230 20 30 CGEDMO CCC[C@H](C)[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000337323183 214005435 /nfs/dbraw/zinc/00/54/35/214005435.db2.gz RYLFZOQZEVVUQW-BBRMVZONSA-N 1 1 258.365 3.120 20 30 CGEDMO C=CCC[C@@H](NC(=O)C[N@H+](CC)C1CC1)c1ccccc1 ZINC000154087259 371816992 /nfs/dbraw/zinc/81/69/92/371816992.db2.gz GCRCQUHLGPRKGE-QGZVFWFLSA-N 1 1 286.419 3.294 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000344064467 217034364 /nfs/dbraw/zinc/03/43/64/217034364.db2.gz OIJLKEREWPIFKA-OAHLLOKOSA-N 1 1 270.376 3.189 20 30 CGEDMO CC#CCC[N@@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000155784534 371945043 /nfs/dbraw/zinc/94/50/43/371945043.db2.gz IFNJZAJHJPXNCS-CJNGLKHVSA-N 1 1 261.340 3.001 20 30 CGEDMO CC#CCC[N@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000155784534 371945046 /nfs/dbraw/zinc/94/50/46/371945046.db2.gz IFNJZAJHJPXNCS-CJNGLKHVSA-N 1 1 261.340 3.001 20 30 CGEDMO C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000155140749 371907296 /nfs/dbraw/zinc/90/72/96/371907296.db2.gz JJCKHUNJBAXYHH-ZDUSSCGKSA-N 1 1 288.391 3.114 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000155140749 371907306 /nfs/dbraw/zinc/90/73/06/371907306.db2.gz JJCKHUNJBAXYHH-ZDUSSCGKSA-N 1 1 288.391 3.114 20 30 CGEDMO CC#CCC[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000155339694 371921127 /nfs/dbraw/zinc/92/11/27/371921127.db2.gz FARAYCRQDBFPNK-UHFFFAOYSA-N 1 1 299.393 3.494 20 30 CGEDMO C[N@H+](Cc1cc(C#N)ccc1F)C[C@H]1CC=CCC1 ZINC000156509713 371982725 /nfs/dbraw/zinc/98/27/25/371982725.db2.gz QCWVZJYRJLFTEU-ZDUSSCGKSA-N 1 1 258.340 3.485 20 30 CGEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)C(C)(C)C ZINC000290418408 371985913 /nfs/dbraw/zinc/98/59/13/371985913.db2.gz UQFIZXGCYMHDPS-MRXNPFEDSA-N 1 1 274.408 3.176 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccncc1 ZINC000157092831 372007303 /nfs/dbraw/zinc/00/73/03/372007303.db2.gz MWZBUBMUWWLITP-QZTJIDSGSA-N 1 1 277.371 3.353 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccncc1 ZINC000157092831 372007310 /nfs/dbraw/zinc/00/73/10/372007310.db2.gz MWZBUBMUWWLITP-QZTJIDSGSA-N 1 1 277.371 3.353 20 30 CGEDMO CCc1[nH+]ccn1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000158636694 372077612 /nfs/dbraw/zinc/07/76/12/372077612.db2.gz BLRTZNNOTIKXIN-UHFFFAOYSA-N 1 1 294.276 3.396 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)cc1 ZINC000290992462 372089699 /nfs/dbraw/zinc/08/96/99/372089699.db2.gz ABBBVHMLAQIYHF-MRXNPFEDSA-N 1 1 252.361 3.323 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(N2CCCC2)nc1 ZINC000158997257 372096465 /nfs/dbraw/zinc/09/64/65/372096465.db2.gz NSBZGOZUUPCXFS-UHFFFAOYSA-N 1 1 259.397 3.080 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@H](n3cc(C)cn3)C2)c1 ZINC000291047567 372104740 /nfs/dbraw/zinc/10/47/40/372104740.db2.gz ZQUPSFINIAGFFI-KRWDZBQOSA-N 1 1 297.402 3.203 20 30 CGEDMO C=CC[N@H+](CCOCC1CC1)Cc1ccc(OC)cc1 ZINC000159464081 372145627 /nfs/dbraw/zinc/14/56/27/372145627.db2.gz YDVVUWRTFILCKI-UHFFFAOYSA-N 1 1 275.392 3.110 20 30 CGEDMO C[N@@H+](Cc1ccc(CC#N)cc1)CC1(O)CCCCCC1 ZINC000426221967 372151400 /nfs/dbraw/zinc/15/14/00/372151400.db2.gz GJJJHDGWSJGFCM-UHFFFAOYSA-N 1 1 286.419 3.270 20 30 CGEDMO CO[C@@H](C)C[N@@H+](CC#Cc1ccc(Cl)cc1)C(C)C ZINC000426519728 372161366 /nfs/dbraw/zinc/16/13/66/372161366.db2.gz CFFBXCUIAXQNMD-AWEZNQCLSA-N 1 1 279.811 3.437 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1C[C@H](C)CC1CCOCC1 ZINC000426574049 372165400 /nfs/dbraw/zinc/16/54/00/372165400.db2.gz TVFCLRWETVHWOT-ZBFHGGJFSA-N 1 1 251.414 3.480 20 30 CGEDMO C=CC[N@H+](C)Cc1cc(-c2ccncc2)ccc1OC ZINC000428375286 372186509 /nfs/dbraw/zinc/18/65/09/372186509.db2.gz SHNVFTUOBXOPQB-UHFFFAOYSA-N 1 1 268.360 3.375 20 30 CGEDMO CSC[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000292516771 372194602 /nfs/dbraw/zinc/19/46/02/372194602.db2.gz WANAGTPNHVWWIG-OAHLLOKOSA-N 1 1 277.408 3.252 20 30 CGEDMO Cc1ccc(C(C)(C)[NH2+]Cc2cccc(F)c2C#N)cn1 ZINC000428442091 372202764 /nfs/dbraw/zinc/20/27/64/372202764.db2.gz ZDUBTFPKAKDKPS-UHFFFAOYSA-N 1 1 283.350 3.426 20 30 CGEDMO C[C@@H]1C[C@@H](Nc2ccc(C#N)nc2)C[N@H+]1Cc1ccccc1 ZINC000160946983 372291341 /nfs/dbraw/zinc/29/13/41/372291341.db2.gz CDJFPKIOTQYESY-RDTXWAMCSA-N 1 1 292.386 3.028 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)N1CC[N@H+]([C@H]2C[C@H]2C)C[C@H](C)C1 ZINC000429004680 372303940 /nfs/dbraw/zinc/30/39/40/372303940.db2.gz IYCQMSHCJZPIPW-NNFUDEMPSA-N 1 1 297.446 3.281 20 30 CGEDMO COC(=O)[C@H](CC(C)C)[N@@H+](C)CCCCC(C)(C)C#N ZINC000429134631 372316615 /nfs/dbraw/zinc/31/66/15/372316615.db2.gz LECJPEGOIPZOSG-AWEZNQCLSA-N 1 1 282.428 3.226 20 30 CGEDMO N#C[C@@H]1CC[C@@H](N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000429689021 372375384 /nfs/dbraw/zinc/37/53/84/372375384.db2.gz CVBLFZUHYMPSCW-FGTMMUONSA-N 1 1 289.467 3.267 20 30 CGEDMO C[C@H]1CC[C@H]([N@H+](CC#Cc2ccc(Cl)cc2)CCO)C1 ZINC000429768523 372377879 /nfs/dbraw/zinc/37/78/79/372377879.db2.gz SREQQACFGPMPEB-YOEHRIQHSA-N 1 1 291.822 3.174 20 30 CGEDMO C=CCC(C)(C)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000429846667 372380065 /nfs/dbraw/zinc/38/00/65/372380065.db2.gz FLFIHCOKBFIKSH-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000429814238 372380125 /nfs/dbraw/zinc/38/01/25/372380125.db2.gz ZEUGQAWRTUZHEW-ZNMIVQPWSA-N 1 1 280.456 3.071 20 30 CGEDMO C=C(Cl)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000163362697 372463426 /nfs/dbraw/zinc/46/34/26/372463426.db2.gz RHMTXDYNCCLTGC-SNVBAGLBSA-N 1 1 254.717 3.306 20 30 CGEDMO C=CCC(C)(C)CNC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000432071622 372533544 /nfs/dbraw/zinc/53/35/44/372533544.db2.gz KUXOYXSUSRBUEM-HUUCEWRRSA-N 1 1 295.471 3.008 20 30 CGEDMO C[C@@H](C#N)C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000166471862 372574122 /nfs/dbraw/zinc/57/41/22/372574122.db2.gz GZTFDNYNRBCJOR-QMMMGPOBSA-N 1 1 260.234 3.094 20 30 CGEDMO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433042550 372579925 /nfs/dbraw/zinc/57/99/25/372579925.db2.gz AMNQVCNFMWWNII-DOTOQJQBSA-N 1 1 267.376 3.310 20 30 CGEDMO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433042550 372579933 /nfs/dbraw/zinc/57/99/33/372579933.db2.gz AMNQVCNFMWWNII-DOTOQJQBSA-N 1 1 267.376 3.310 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H](SC)C2)cc1OC ZINC000295124260 372694271 /nfs/dbraw/zinc/69/42/71/372694271.db2.gz XBIUPYIMLVHDKQ-CQSZACIVSA-N 1 1 293.432 3.197 20 30 CGEDMO C=CCn1c(C)cc(C(=O)Cn2c[nH+]c3c2CCCC3)c1C ZINC000295309531 372734607 /nfs/dbraw/zinc/73/46/07/372734607.db2.gz NCKXJXKCHIAWCS-UHFFFAOYSA-N 1 1 297.402 3.249 20 30 CGEDMO N#Cc1ccc(CNC[C@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC000435726401 372797588 /nfs/dbraw/zinc/79/75/88/372797588.db2.gz PFQSAVUSCYLHID-LJQANCHMSA-N 1 1 297.446 3.445 20 30 CGEDMO N#Cc1ccc(C[NH2+]C[C@H]2CCCN2C2CCCCC2)cc1 ZINC000435726401 372797592 /nfs/dbraw/zinc/79/75/92/372797592.db2.gz PFQSAVUSCYLHID-LJQANCHMSA-N 1 1 297.446 3.445 20 30 CGEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cccc(OC)n1 ZINC000171859750 372841641 /nfs/dbraw/zinc/84/16/41/372841641.db2.gz VFYIGRSTNHROHA-UHFFFAOYSA-N 1 1 293.370 3.150 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(OC)n1 ZINC000171859750 372841648 /nfs/dbraw/zinc/84/16/48/372841648.db2.gz VFYIGRSTNHROHA-UHFFFAOYSA-N 1 1 293.370 3.150 20 30 CGEDMO C=CC[N@H+](Cc1cnn(Cc2ccc(F)cc2)c1)C1CC1 ZINC000437979806 372861611 /nfs/dbraw/zinc/86/16/11/372861611.db2.gz PTBFISYFHNZPNB-UHFFFAOYSA-N 1 1 285.366 3.221 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000438175077 372903325 /nfs/dbraw/zinc/90/33/25/372903325.db2.gz OFNVZVYYTXYVSL-WBVHZDCISA-N 1 1 257.352 3.442 20 30 CGEDMO N#Cc1ccc2ncc(C[N@H+]3CCCC4(CCCC4)C3)n2c1 ZINC000438360055 372940676 /nfs/dbraw/zinc/94/06/76/372940676.db2.gz UXNKABHIPYGNIH-UHFFFAOYSA-N 1 1 294.402 3.362 20 30 CGEDMO C[N@@H+](CCc1cccc(N[C@H]2CC[C@H](C#N)C2)c1)C1CC1 ZINC000442815173 373094282 /nfs/dbraw/zinc/09/42/82/373094282.db2.gz CEJCWTQBGXVHMQ-RDJZCZTQSA-N 1 1 283.419 3.427 20 30 CGEDMO CC[N@@H+](Cc1c[nH]c2ccccc12)CC1(C#N)CC1 ZINC000442876363 373113990 /nfs/dbraw/zinc/11/39/90/373113990.db2.gz XLYSQVDMTOKXGT-UHFFFAOYSA-N 1 1 253.349 3.294 20 30 CGEDMO Cc1cc(CN[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1C#N ZINC000443975214 373164053 /nfs/dbraw/zinc/16/40/53/373164053.db2.gz YVWPVXCUBMBWLH-HLLBOEOZSA-N 1 1 299.462 3.323 20 30 CGEDMO Cc1cc(C[NH2+][C@H](C)CN2C[C@H](C)C[C@H](C)C2)ccc1C#N ZINC000443975214 373164062 /nfs/dbraw/zinc/16/40/62/373164062.db2.gz YVWPVXCUBMBWLH-HLLBOEOZSA-N 1 1 299.462 3.323 20 30 CGEDMO COc1cc(C[N@H+]2CC=C(C(F)(F)F)CC2)ccc1C#N ZINC000442884846 373120258 /nfs/dbraw/zinc/12/02/58/373120258.db2.gz LTQOFMCRWRUIAI-UHFFFAOYSA-N 1 1 296.292 3.261 20 30 CGEDMO COc1cc(C[N@@H+]2CC=C(C(F)(F)F)CC2)ccc1C#N ZINC000442884846 373120269 /nfs/dbraw/zinc/12/02/69/373120269.db2.gz LTQOFMCRWRUIAI-UHFFFAOYSA-N 1 1 296.292 3.261 20 30 CGEDMO C=CC[C@H]1[N@H+](Cc2ccc(C(N)=O)cc2)CCCC1(C)C ZINC000444781421 373275162 /nfs/dbraw/zinc/27/51/62/373275162.db2.gz OUYIRLPYCBHVQM-MRXNPFEDSA-N 1 1 286.419 3.352 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](CCCCC(C)(C)C#N)CCO1 ZINC000444682024 373234883 /nfs/dbraw/zinc/23/48/83/373234883.db2.gz YETQPZUMHPOHKN-CQSZACIVSA-N 1 1 252.402 3.063 20 30 CGEDMO C=C(CC)C[N@@H+](C[C@H](O)COc1ccccc1)C(C)C ZINC000444820916 373281025 /nfs/dbraw/zinc/28/10/25/373281025.db2.gz XFNZAADMAOQNLP-INIZCTEOSA-N 1 1 277.408 3.103 20 30 CGEDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000353608054 220186395 /nfs/dbraw/zinc/18/63/95/220186395.db2.gz DHOIHGFWQARESY-AWEZNQCLSA-N 1 1 280.371 3.327 20 30 CGEDMO CCC[N@@H+]1CC[C@H](CN[C@@H](CC)c2ccc(C#N)cc2)C1 ZINC000447531266 373445781 /nfs/dbraw/zinc/44/57/81/373445781.db2.gz QNUSASIMSBUDSK-AEFFLSMTSA-N 1 1 285.435 3.331 20 30 CGEDMO CCC[N@H+]1CC[C@H](CN[C@@H](CC)c2ccc(C#N)cc2)C1 ZINC000447531266 373445788 /nfs/dbraw/zinc/44/57/88/373445788.db2.gz QNUSASIMSBUDSK-AEFFLSMTSA-N 1 1 285.435 3.331 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000175404327 373463322 /nfs/dbraw/zinc/46/33/22/373463322.db2.gz RRJFWVFZCDBFMF-FZKQIMNGSA-N 1 1 265.422 3.383 20 30 CGEDMO CCC[C@]1(COC)CCC[N@H+]1Cc1cccc(C#N)c1F ZINC000447401936 373435184 /nfs/dbraw/zinc/43/51/84/373435184.db2.gz DQUOKXXOTWTZEU-QGZVFWFLSA-N 1 1 290.382 3.478 20 30 CGEDMO CC[N@@H+](CCCCCCO)[C@H](C)c1ccc(C#N)cc1 ZINC000175751191 373514445 /nfs/dbraw/zinc/51/44/45/373514445.db2.gz HAPLFQJYJNPHNP-OAHLLOKOSA-N 1 1 274.408 3.494 20 30 CGEDMO COc1cc(C)c(C[N@@H+](C)CCCCC#N)cc1OC ZINC000176054095 373551519 /nfs/dbraw/zinc/55/15/19/373551519.db2.gz OSIOEJNOURBFGF-UHFFFAOYSA-N 1 1 276.380 3.138 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000448774708 373640084 /nfs/dbraw/zinc/64/00/84/373640084.db2.gz MGBPMUCPALFZFW-ZBFHGGJFSA-N 1 1 286.419 3.150 20 30 CGEDMO C[C@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCCO1 ZINC000177108180 373656677 /nfs/dbraw/zinc/65/66/77/373656677.db2.gz KZMGRVMLEBFKHT-ZDUSSCGKSA-N 1 1 297.320 3.168 20 30 CGEDMO C=CCCCC[C@H](C)[NH2+]C[C@@H]1CCCN(CC)C1 ZINC000449104363 373661772 /nfs/dbraw/zinc/66/17/72/373661772.db2.gz FHBJOPLRCUCTIM-HOTGVXAUSA-N 1 1 252.446 3.443 20 30 CGEDMO C[C@@H](CNc1ccc(C#N)cc1F)[N@H+]1CCC[C@H](C)C1 ZINC000301153026 373677699 /nfs/dbraw/zinc/67/76/99/373677699.db2.gz QAGPEQMXBPQPIP-STQMWFEESA-N 1 1 275.371 3.230 20 30 CGEDMO Cc1[nH+]ccn1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000180014093 373953142 /nfs/dbraw/zinc/95/31/42/373953142.db2.gz LHQGOIOXGLSQFV-UHFFFAOYSA-N 1 1 280.249 3.142 20 30 CGEDMO CC(C)(C)C[C@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000449778415 373906948 /nfs/dbraw/zinc/90/69/48/373906948.db2.gz SDZGOKRCKIUVRK-CQSZACIVSA-N 1 1 296.418 3.464 20 30 CGEDMO C[C@@H](c1ccccc1)[C@H](O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000450229033 374010975 /nfs/dbraw/zinc/01/09/75/374010975.db2.gz VYNXEVFYTNFMGZ-HNAYVOBHSA-N 1 1 294.398 3.155 20 30 CGEDMO CC(C)[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000303667132 374027205 /nfs/dbraw/zinc/02/72/05/374027205.db2.gz XUSMQAUPPFPLJZ-INIZCTEOSA-N 1 1 299.418 3.255 20 30 CGEDMO C[C@@H]([NH2+][C@H](CO)c1ccccc1)c1ccc(C#N)cc1F ZINC000305801777 374113531 /nfs/dbraw/zinc/11/35/31/374113531.db2.gz DOOGGMHRBYCOLV-SJKOYZFVSA-N 1 1 284.334 3.082 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCc1cscn1 ZINC000450455733 374142111 /nfs/dbraw/zinc/14/21/11/374142111.db2.gz VTIPPWDFEKTWNV-DLBZAZTESA-N 1 1 297.427 3.457 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCc1cscn1 ZINC000450455733 374142117 /nfs/dbraw/zinc/14/21/17/374142117.db2.gz VTIPPWDFEKTWNV-DLBZAZTESA-N 1 1 297.427 3.457 20 30 CGEDMO CCO[C@H]1C[C@@H]([N@@H+](C)CC2(C#N)CCC2)C12CCCC2 ZINC000450571782 374161795 /nfs/dbraw/zinc/16/17/95/374161795.db2.gz SNGNTIBGARLLDN-CABCVRRESA-N 1 1 276.424 3.350 20 30 CGEDMO N#CC1(C[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)CCC1 ZINC000450625240 374166542 /nfs/dbraw/zinc/16/65/42/374166542.db2.gz PSBXCWCLUGRZRQ-OAHLLOKOSA-N 1 1 294.402 3.195 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)C[C@@H](O)[C@H](C)c1ccccc1 ZINC000450691765 374172489 /nfs/dbraw/zinc/17/24/89/374172489.db2.gz ALXJSQDXVYIJBX-VQIMIIECSA-N 1 1 299.414 3.475 20 30 CGEDMO CCC[N@@H+](CCOc1cccc(C#N)c1)CC(C)C ZINC000311415873 374241540 /nfs/dbraw/zinc/24/15/40/374241540.db2.gz JPSSRFGQKARKSO-UHFFFAOYSA-N 1 1 260.381 3.305 20 30 CGEDMO C[C@H]1CCC[C@H]([N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000315024596 374325208 /nfs/dbraw/zinc/32/52/08/374325208.db2.gz UNEKGZFMFBWZFU-YOEHRIQHSA-N 1 1 299.418 3.397 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](CNc2cc(C#N)c3ccccc3n2)C1 ZINC000316238322 374331953 /nfs/dbraw/zinc/33/19/53/374331953.db2.gz GIVHHWDPSIYKLK-CQSZACIVSA-N 1 1 294.402 3.249 20 30 CGEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccc(C#N)c1 ZINC000330578783 374483426 /nfs/dbraw/zinc/48/34/26/374483426.db2.gz SKUBLNDAMWMOHJ-ZNMIVQPWSA-N 1 1 299.418 3.229 20 30 CGEDMO CC[C@@H]1CCC[N@@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000331226023 374514997 /nfs/dbraw/zinc/51/49/97/374514997.db2.gz ZWXCELBHIPXAOV-GFCCVEGCSA-N 1 1 291.420 3.050 20 30 CGEDMO CC[C@@H]1CCC[N@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000331226023 374515003 /nfs/dbraw/zinc/51/50/03/374515003.db2.gz ZWXCELBHIPXAOV-GFCCVEGCSA-N 1 1 291.420 3.050 20 30 CGEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2cnc(C)s2)CC1 ZINC000090408621 541960934 /nfs/dbraw/zinc/96/09/34/541960934.db2.gz QIBSKZTUQLQKOO-GFCCVEGCSA-N 1 1 279.453 3.143 20 30 CGEDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000185596172 374695379 /nfs/dbraw/zinc/69/53/79/374695379.db2.gz JYLGKUUNGLJDCE-WFASDCNBSA-N 1 1 258.365 3.187 20 30 CGEDMO CCc1[nH+]ccn1Cc1ccc(Br)cc1C#N ZINC000334443059 374755626 /nfs/dbraw/zinc/75/56/26/374755626.db2.gz DORZITXIBAQJFN-UHFFFAOYSA-N 1 1 290.164 3.128 20 30 CGEDMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1CCC1(C#N)CCCCC1 ZINC000334543982 374841309 /nfs/dbraw/zinc/84/13/09/374841309.db2.gz WFEFZQQUCNQGFK-QDMKHBRRSA-N 1 1 264.413 3.084 20 30 CGEDMO CC[C@@]1(C)CCC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000464782733 374899271 /nfs/dbraw/zinc/89/92/71/374899271.db2.gz ZSQWJLTVCZWHFH-KRWDZBQOSA-N 1 1 272.392 3.449 20 30 CGEDMO C=CCC[C@@H](CCC)[N@H+]1CCC[C@@H]1C(=O)OCC ZINC000468548867 374983093 /nfs/dbraw/zinc/98/30/93/374983093.db2.gz QPXSRWZDEVEDNS-ZIAGYGMSSA-N 1 1 253.386 3.149 20 30 CGEDMO CC[N@@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)C[C@H](C)C#N ZINC000470176483 374995846 /nfs/dbraw/zinc/99/58/46/374995846.db2.gz WRCWBCDYMLKKGC-MAUPQMMJSA-N 1 1 287.363 3.480 20 30 CGEDMO CC[N@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)C[C@H](C)C#N ZINC000470176483 374995849 /nfs/dbraw/zinc/99/58/49/374995849.db2.gz WRCWBCDYMLKKGC-MAUPQMMJSA-N 1 1 287.363 3.480 20 30 CGEDMO C=CCC[C@H](CCC)[NH2+][C@H](C)C(=O)OC(C)(C)C ZINC000470326022 374995892 /nfs/dbraw/zinc/99/58/92/374995892.db2.gz CLUIDIGMSKJSNH-OLZOCXBDSA-N 1 1 255.402 3.441 20 30 CGEDMO C=CCOCCC[N@H+](CCC)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000470769202 374998451 /nfs/dbraw/zinc/99/84/51/374998451.db2.gz KXAWVPJTAGOADU-BZUAXINKSA-N 1 1 281.440 3.105 20 30 CGEDMO CC[N@H+](C[C@@H](C)C#N)C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000470716933 374999468 /nfs/dbraw/zinc/99/94/68/374999468.db2.gz GOEGIDAOSZGDNZ-KXBFYZLASA-N 1 1 296.414 3.225 20 30 CGEDMO CC[N@@H+](C[C@@H](C)C#N)C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000470716933 374999474 /nfs/dbraw/zinc/99/94/74/374999474.db2.gz GOEGIDAOSZGDNZ-KXBFYZLASA-N 1 1 296.414 3.225 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000470789444 375001803 /nfs/dbraw/zinc/00/18/03/375001803.db2.gz KZPHDZQOVSOZNO-KRWDZBQOSA-N 1 1 259.393 3.377 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](CCC)CCc1cccc(F)c1 ZINC000472737068 375032342 /nfs/dbraw/zinc/03/23/42/375032342.db2.gz IWHJTCSKMMNMLZ-KRWDZBQOSA-N 1 1 279.399 3.407 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000474234589 375089455 /nfs/dbraw/zinc/08/94/55/375089455.db2.gz TXXBOGNNDANULJ-RDJZCZTQSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)[C@@H](NC(=O)C[N@H+](C)CCC)c1ccc(F)c(F)c1 ZINC000478914868 375149776 /nfs/dbraw/zinc/14/97/76/375149776.db2.gz ZGDPBWLUQDMTAD-MRXNPFEDSA-N 1 1 296.361 3.040 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H](O)CCC(C)C ZINC000481742551 375165908 /nfs/dbraw/zinc/16/59/08/375165908.db2.gz LWKUTDDXROPQID-QGZVFWFLSA-N 1 1 291.435 3.480 20 30 CGEDMO CC[C@H](O)C[N@@H+](CC#Cc1ccccc1)Cc1ccccc1 ZINC000484097627 375187021 /nfs/dbraw/zinc/18/70/21/375187021.db2.gz LLGBATFWGAZDOK-FQEVSTJZSA-N 1 1 293.410 3.311 20 30 CGEDMO C=CC[N@H+](CC(=O)N1CCCCC1)CC1CCCCC1 ZINC000484488598 375188607 /nfs/dbraw/zinc/18/86/07/375188607.db2.gz LGJFXUSSZZRDPL-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO CC#CCC[N@H+](C)Cc1ccc(F)cc1Br ZINC000485022186 375190695 /nfs/dbraw/zinc/19/06/95/375190695.db2.gz NOVYRQUGFNNJEL-UHFFFAOYSA-N 1 1 284.172 3.433 20 30 CGEDMO CC#CCC[N@@H+](C)Cc1ccc(F)cc1Br ZINC000485022186 375190698 /nfs/dbraw/zinc/19/06/98/375190698.db2.gz NOVYRQUGFNNJEL-UHFFFAOYSA-N 1 1 284.172 3.433 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000188569983 375233160 /nfs/dbraw/zinc/23/31/60/375233160.db2.gz WZUDRLLQXVITLL-YJBOKZPZSA-N 1 1 288.435 3.225 20 30 CGEDMO N#Cc1csc(C[N@H+]2CC[C@H](c3cccnc3)C2)c1 ZINC000335442101 375297194 /nfs/dbraw/zinc/29/71/94/375297194.db2.gz HYXVYPCFTPWTSM-AWEZNQCLSA-N 1 1 269.373 3.004 20 30 CGEDMO CCC[N@@H+](CCOCC(F)F)Cc1ccc(C#N)cc1 ZINC000188737469 375261818 /nfs/dbraw/zinc/26/18/18/375261818.db2.gz VYBQUYKEVRBUSP-UHFFFAOYSA-N 1 1 282.334 3.052 20 30 CGEDMO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cccc(C#N)c1F ZINC000335689115 375348664 /nfs/dbraw/zinc/34/86/64/375348664.db2.gz COGIJZWENPREIK-JOYOIKCWSA-N 1 1 286.272 3.470 20 30 CGEDMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cccc(C#N)c1F ZINC000335689115 375348668 /nfs/dbraw/zinc/34/86/68/375348668.db2.gz COGIJZWENPREIK-JOYOIKCWSA-N 1 1 286.272 3.470 20 30 CGEDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1nc(C#N)cs1 ZINC000335728828 375382423 /nfs/dbraw/zinc/38/24/23/375382423.db2.gz OPIPXQKGTLXVTR-DOMZBBRYSA-N 1 1 283.400 3.393 20 30 CGEDMO C[N@@H+](Cc1nc(C#N)cs1)C1CCC(F)(F)CC1 ZINC000335816250 375454487 /nfs/dbraw/zinc/45/44/87/375454487.db2.gz HGFSPSMCCHRALL-UHFFFAOYSA-N 1 1 271.336 3.024 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000494485533 375488120 /nfs/dbraw/zinc/48/81/20/375488120.db2.gz LGTBMAJAILXGJJ-KBPBESRZSA-N 1 1 282.428 3.188 20 30 CGEDMO N#CC1(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000494448036 375488207 /nfs/dbraw/zinc/48/82/07/375488207.db2.gz CZSLYEZMADMOSH-ZIAGYGMSSA-N 1 1 276.767 3.063 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000495627038 375499684 /nfs/dbraw/zinc/49/96/84/375499684.db2.gz TWBUWHXJOZNWTD-KGLIPLIRSA-N 1 1 282.428 3.330 20 30 CGEDMO N#Cc1csc(C[NH2+][C@H]2CCCc3ccccc32)n1 ZINC000335871661 375500518 /nfs/dbraw/zinc/50/05/18/375500518.db2.gz YBPPEHCBNDBDAW-AWEZNQCLSA-N 1 1 269.373 3.182 20 30 CGEDMO C=C[C@@H](C)[NH2+][C@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000119311804 542004981 /nfs/dbraw/zinc/00/49/81/542004981.db2.gz WLGYXDONLSAKFV-GHMZBOCLSA-N 1 1 290.798 3.454 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000498799774 375629334 /nfs/dbraw/zinc/62/93/34/375629334.db2.gz SDYGLDIIDKLNTR-CABCVRRESA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+](CCOC)Cc1c(F)cccc1N1CCCC1 ZINC000191758799 375659178 /nfs/dbraw/zinc/65/91/78/375659178.db2.gz VLWMCKQWFQWEIC-UHFFFAOYSA-N 1 1 292.398 3.060 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1c(F)cccc1N1CCCC1 ZINC000191758799 375659182 /nfs/dbraw/zinc/65/91/82/375659182.db2.gz VLWMCKQWFQWEIC-UHFFFAOYSA-N 1 1 292.398 3.060 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000191761328 375661344 /nfs/dbraw/zinc/66/13/44/375661344.db2.gz RKIWMFMXJDXTCC-UHFFFAOYSA-N 1 1 285.391 3.020 20 30 CGEDMO Cc1ncc(C[N@@H+](C)Cc2ccc(C#N)c(F)c2)s1 ZINC000191949899 375682089 /nfs/dbraw/zinc/68/20/89/375682089.db2.gz DGUAPWPCZKZSFA-UHFFFAOYSA-N 1 1 275.352 3.094 20 30 CGEDMO Cc1ncc(C[N@H+](C)Cc2ccc(C#N)c(F)c2)s1 ZINC000191949899 375682093 /nfs/dbraw/zinc/68/20/93/375682093.db2.gz DGUAPWPCZKZSFA-UHFFFAOYSA-N 1 1 275.352 3.094 20 30 CGEDMO Cc1cccc2ncc(C[N@@H+](C)Cc3ccc(C#N)cc3)n21 ZINC000507218061 375688969 /nfs/dbraw/zinc/68/89/69/375688969.db2.gz ZLZTVAVWJUXJEM-UHFFFAOYSA-N 1 1 290.370 3.146 20 30 CGEDMO Cc1cccc2ncc(C[N@H+](C)Cc3ccc(C#N)cc3)n21 ZINC000507218061 375688973 /nfs/dbraw/zinc/68/89/73/375688973.db2.gz ZLZTVAVWJUXJEM-UHFFFAOYSA-N 1 1 290.370 3.146 20 30 CGEDMO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192031476 375691783 /nfs/dbraw/zinc/69/17/83/375691783.db2.gz OIDHOHUGYUVAMC-MNOVXSKESA-N 1 1 264.369 3.023 20 30 CGEDMO C[C@H]1SCC[N@@H+](Cc2ccc(C#N)c(F)c2)[C@H]1C ZINC000192031494 375692105 /nfs/dbraw/zinc/69/21/05/375692105.db2.gz OIDHOHUGYUVAMC-WDEREUQCSA-N 1 1 264.369 3.023 20 30 CGEDMO N#Cc1c(F)cccc1C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000336118582 375699274 /nfs/dbraw/zinc/69/92/74/375699274.db2.gz VDNIBKBOVAXDLC-KRWDZBQOSA-N 1 1 288.366 3.088 20 30 CGEDMO Cc1cnc(C(C)(C)[NH2+]Cc2ccc(C#N)c(F)c2)s1 ZINC000192181449 375708578 /nfs/dbraw/zinc/70/85/78/375708578.db2.gz OGQBINKPDYNIBM-UHFFFAOYSA-N 1 1 289.379 3.487 20 30 CGEDMO C=C(C)CC[N@H+](CCc1ccccc1)CC(=O)OCC ZINC000509688005 375782278 /nfs/dbraw/zinc/78/22/78/375782278.db2.gz XSUBIYCNHCFGCW-UHFFFAOYSA-N 1 1 275.392 3.060 20 30 CGEDMO C=C(C)CC[N@@H+](CCc1ccccc1)CC(=O)OCC ZINC000509688005 375782284 /nfs/dbraw/zinc/78/22/84/375782284.db2.gz XSUBIYCNHCFGCW-UHFFFAOYSA-N 1 1 275.392 3.060 20 30 CGEDMO C[C@H](C#N)C[N@H+](C)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000509811850 375783379 /nfs/dbraw/zinc/78/33/79/375783379.db2.gz LDTDLHKACCXFFG-CYBMUJFWSA-N 1 1 272.392 3.382 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C)Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000509811850 375783386 /nfs/dbraw/zinc/78/33/86/375783386.db2.gz LDTDLHKACCXFFG-CYBMUJFWSA-N 1 1 272.392 3.382 20 30 CGEDMO CC1(C)C[N@H+](CC2(C#N)CC2)CC[C@H]1C(F)(F)F ZINC000336309563 375775717 /nfs/dbraw/zinc/77/57/17/375775717.db2.gz HQBWMFRFDQUBNN-SNVBAGLBSA-N 1 1 260.303 3.201 20 30 CGEDMO CC1(C)C[N@@H+](CC2(C#N)CC2)CC[C@H]1C(F)(F)F ZINC000336309563 375775720 /nfs/dbraw/zinc/77/57/20/375775720.db2.gz HQBWMFRFDQUBNN-SNVBAGLBSA-N 1 1 260.303 3.201 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]2c2cccnc2)c1 ZINC000336443860 375795725 /nfs/dbraw/zinc/79/57/25/375795725.db2.gz AOWALMQNHAJAQB-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H]2c2cccnc2)c1 ZINC000336443860 375795729 /nfs/dbraw/zinc/79/57/29/375795729.db2.gz AOWALMQNHAJAQB-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO FC(F)OC[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000512835043 375799034 /nfs/dbraw/zinc/79/90/34/375799034.db2.gz UXQJLSXEPQVKNS-ZDUSSCGKSA-N 1 1 299.748 3.253 20 30 CGEDMO N#C[C@H]1CCC[C@@H]([NH2+]Cc2nc(C(F)(F)F)cs2)C1 ZINC000192888024 375799582 /nfs/dbraw/zinc/79/95/82/375799582.db2.gz ZODHCSHCIQATDV-DTWKUNHWSA-N 1 1 289.326 3.334 20 30 CGEDMO C=C1CCN(Cc2cncc(C[NH+]3CCC(=C)CC3)c2)CC1 ZINC000515126383 375810172 /nfs/dbraw/zinc/81/01/72/375810172.db2.gz JKQVAQSSVOYFOQ-UHFFFAOYSA-N 1 1 297.446 3.386 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@H+](C)C2CCCC2)c1C ZINC000193120334 375829470 /nfs/dbraw/zinc/82/94/70/375829470.db2.gz LSJMCFAAPWFBCK-UHFFFAOYSA-N 1 1 274.408 3.348 20 30 CGEDMO C=CC[C@@H](CO)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000193284630 375853194 /nfs/dbraw/zinc/85/31/94/375853194.db2.gz JMGNLBJIILBCQY-BDAKNGLRSA-N 1 1 290.190 3.287 20 30 CGEDMO C=CCCCC[N@@H+]1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000520728346 375870741 /nfs/dbraw/zinc/87/07/41/375870741.db2.gz JGGHGVFTOPUODG-HRCADAONSA-N 1 1 250.430 3.005 20 30 CGEDMO C=CCCCCN1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000520728346 375870748 /nfs/dbraw/zinc/87/07/48/375870748.db2.gz JGGHGVFTOPUODG-HRCADAONSA-N 1 1 250.430 3.005 20 30 CGEDMO C=CCCCCN1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000520728346 375870755 /nfs/dbraw/zinc/87/07/55/375870755.db2.gz JGGHGVFTOPUODG-HRCADAONSA-N 1 1 250.430 3.005 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ncccc1F ZINC000528823627 375911204 /nfs/dbraw/zinc/91/12/04/375911204.db2.gz LVYLPYIXUPOFTG-LBPRGKRZSA-N 1 1 269.323 3.138 20 30 CGEDMO C[C@@H](c1cccs1)[N@@H+](C)CCCSCC#N ZINC000336661748 375897262 /nfs/dbraw/zinc/89/72/62/375897262.db2.gz CAYNQSITZMRWLD-NSHDSACASA-N 1 1 254.424 3.388 20 30 CGEDMO C[C@@]1(c2ccccc2)CCC[N@@H+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000528381363 375899809 /nfs/dbraw/zinc/89/98/09/375899809.db2.gz MNHVLPHEDZUWRD-QZTJIDSGSA-N 1 1 298.430 3.095 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@H+]2CCCC3(CCCCC3)C2)CC1 ZINC000528377419 375900710 /nfs/dbraw/zinc/90/07/10/375900710.db2.gz FTWJZLZIMVENKY-OAHLLOKOSA-N 1 1 276.424 3.087 20 30 CGEDMO C/C(Cl)=C/C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000528493240 375903718 /nfs/dbraw/zinc/90/37/18/375903718.db2.gz MTYCTNDZLCESNG-ACAGNQJTSA-N 1 1 275.783 3.081 20 30 CGEDMO CCOc1ccc(C[N@@H+](C)CCC(C)(C)C#N)cc1 ZINC000336803095 375954310 /nfs/dbraw/zinc/95/43/10/375954310.db2.gz XBEJOJHTTUWKQW-UHFFFAOYSA-N 1 1 260.381 3.457 20 30 CGEDMO C=CC[N@@H+](CC1CCCCC1)C[C@H]1CCCOC1 ZINC000532276266 375949177 /nfs/dbraw/zinc/94/91/77/375949177.db2.gz ZBHPYXIUYAEOAZ-MRXNPFEDSA-N 1 1 251.414 3.481 20 30 CGEDMO CC[N@@H+](CCn1cc(C)cn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000336847805 376009053 /nfs/dbraw/zinc/00/90/53/376009053.db2.gz YIASZJGOAQWEGZ-HNNXBMFYSA-N 1 1 282.391 3.146 20 30 CGEDMO CCC[N@@H+](CCCC1(C#N)CCOCC1)CC1CC1 ZINC000337130488 376089279 /nfs/dbraw/zinc/08/92/79/376089279.db2.gz JWWPPUGQMUPENP-UHFFFAOYSA-N 1 1 264.413 3.209 20 30 CGEDMO C=CCN1CC[C@@H]([N@H+]2CCCCC[C@@H]2c2ccccc2)C1=O ZINC000337147976 376101912 /nfs/dbraw/zinc/10/19/12/376101912.db2.gz ZSWKWFWIVWEINQ-QZTJIDSGSA-N 1 1 298.430 3.391 20 30 CGEDMO COC(=O)c1cccc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c1C#N ZINC000535962683 376075001 /nfs/dbraw/zinc/07/50/01/376075001.db2.gz HLOKFYTUFBPIOZ-SUMWQHHRSA-N 1 1 298.386 3.109 20 30 CGEDMO C=CC[N@H+](C[C@H](O)COc1ccc2ccccc2c1)C1CC1 ZINC000536742901 376128280 /nfs/dbraw/zinc/12/82/80/376128280.db2.gz DOXXOZMLOOOJEV-SFHVURJKSA-N 1 1 297.398 3.230 20 30 CGEDMO C[C@H]1CC[C@H]([N@@H+](C)CCCC2(C#N)CCOCC2)C1 ZINC000337258019 376171092 /nfs/dbraw/zinc/17/10/92/376171092.db2.gz USTDMERFSBWATP-GJZGRUSLSA-N 1 1 264.413 3.207 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCO[C@@H](CCC)C1 ZINC000538725893 376261421 /nfs/dbraw/zinc/26/14/21/376261421.db2.gz DOOPJIJDPORSFI-INIZCTEOSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCO[C@@H](CCC)C1 ZINC000538725893 376261426 /nfs/dbraw/zinc/26/14/26/376261426.db2.gz DOOPJIJDPORSFI-INIZCTEOSA-N 1 1 275.392 3.252 20 30 CGEDMO C[N@@H+](CCCOc1ccc(F)cc1)CCC(C)(C)C#N ZINC000539567587 376319108 /nfs/dbraw/zinc/31/91/08/376319108.db2.gz OEXKWIPDUNUJOH-UHFFFAOYSA-N 1 1 278.371 3.466 20 30 CGEDMO C=CC[C@H](CC)NC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000539703280 376326638 /nfs/dbraw/zinc/32/66/38/376326638.db2.gz MGASVJLEOGFURP-GJZGRUSLSA-N 1 1 295.471 3.151 20 30 CGEDMO C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC000338368967 376353214 /nfs/dbraw/zinc/35/32/14/376353214.db2.gz GXBAWPWUPWWKTP-NSHDSACASA-N 1 1 299.305 3.456 20 30 CGEDMO C=CCC[N@H+]1CCc2cc(OCC)c(OCC)cc2C1 ZINC000338549951 376424119 /nfs/dbraw/zinc/42/41/19/376424119.db2.gz ZALKKKTYMZVCTI-UHFFFAOYSA-N 1 1 275.392 3.418 20 30 CGEDMO C[C@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000540426028 376374804 /nfs/dbraw/zinc/37/48/04/376374804.db2.gz RKYRSWHXYXIGMD-ZDUSSCGKSA-N 1 1 298.317 3.436 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000542318301 376532720 /nfs/dbraw/zinc/53/27/20/376532720.db2.gz WRUXWPGBFOJMCB-SJORKVTESA-N 1 1 259.393 3.111 20 30 CGEDMO C[C@@H]1CC[C@@H]([N@@H+](C)CCOc2ccccc2C#N)C1 ZINC000338984336 376612488 /nfs/dbraw/zinc/61/24/88/376612488.db2.gz ZMIADNSOZUMGDA-UKRRQHHQSA-N 1 1 258.365 3.057 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1c1ccccc1C ZINC000338992230 376616849 /nfs/dbraw/zinc/61/68/49/376616849.db2.gz KFCABCAAESJGKK-SFHVURJKSA-N 1 1 298.430 3.333 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@H](C)CC2)ccc1C#N ZINC000234978622 376626558 /nfs/dbraw/zinc/62/65/58/376626558.db2.gz YVYCVURDNGJCHY-ZDUSSCGKSA-N 1 1 258.365 3.189 20 30 CGEDMO COc1cc(C[N@H+]2CCCCC[C@H]2C)ccc1C#N ZINC000234967046 376627443 /nfs/dbraw/zinc/62/74/43/376627443.db2.gz NNPVLIHLZWQOJD-CYBMUJFWSA-N 1 1 258.365 3.331 20 30 CGEDMO N#CCCOCC[N@@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000339049252 376645677 /nfs/dbraw/zinc/64/56/77/376645677.db2.gz XCMSARBJAMDPBA-HNNXBMFYSA-N 1 1 299.374 3.285 20 30 CGEDMO N#CCCOCC[N@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000339049252 376645689 /nfs/dbraw/zinc/64/56/89/376645689.db2.gz XCMSARBJAMDPBA-HNNXBMFYSA-N 1 1 299.374 3.285 20 30 CGEDMO CCCC1CCC([N@@H+](C)CCOCCC#N)CC1 ZINC000339131074 376699739 /nfs/dbraw/zinc/69/97/39/376699739.db2.gz GDUGLYDDQDTXMN-UHFFFAOYSA-N 1 1 252.402 3.207 20 30 CGEDMO CC(C)C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000245496054 376831785 /nfs/dbraw/zinc/83/17/85/376831785.db2.gz QRQYKJAVONZONV-HUUCEWRRSA-N 1 1 299.418 3.253 20 30 CGEDMO Cc1[nH]c2ccc(C[NH2+]C[C@H](C#N)CCC#N)cc2c1C ZINC000554552396 376851735 /nfs/dbraw/zinc/85/17/35/376851735.db2.gz WFBMQHFYUOGTPF-HNNXBMFYSA-N 1 1 280.375 3.318 20 30 CGEDMO N#CC1(C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000555709284 376857534 /nfs/dbraw/zinc/85/75/34/376857534.db2.gz NMCQSPFYTYGOKV-UHFFFAOYSA-N 1 1 272.245 3.238 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](C)[C@H](C)C1 ZINC000245948537 376942204 /nfs/dbraw/zinc/94/22/04/376942204.db2.gz SDRMEXRJFYSTLJ-QWHCGFSZSA-N 1 1 258.365 3.045 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@@H](C)c1ccccc1F ZINC000246076498 376962752 /nfs/dbraw/zinc/96/27/52/376962752.db2.gz YVCHMGOIKKJTDV-STQMWFEESA-N 1 1 251.345 3.146 20 30 CGEDMO N#Cc1ccc(C[N@@H+](Cc2ccco2)C2CCCC2)nc1 ZINC000559286065 377078754 /nfs/dbraw/zinc/07/87/54/377078754.db2.gz RWXDMCSGVBFLMC-UHFFFAOYSA-N 1 1 281.359 3.491 20 30 CGEDMO CS[C@H]1CCCC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000340887812 377305426 /nfs/dbraw/zinc/30/54/26/377305426.db2.gz REECVDLMGCVNOA-AWEZNQCLSA-N 1 1 278.396 3.415 20 30 CGEDMO CS[C@@H]1CCCC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000340887818 377305471 /nfs/dbraw/zinc/30/54/71/377305471.db2.gz REECVDLMGCVNOA-CQSZACIVSA-N 1 1 278.396 3.415 20 30 CGEDMO C=CCCCC[N@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000562687903 377348058 /nfs/dbraw/zinc/34/80/58/377348058.db2.gz NOHQHTGNTRAUBM-UHFFFAOYSA-N 1 1 272.392 3.106 20 30 CGEDMO CC(C)CC[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C1CC1 ZINC000563215712 377421748 /nfs/dbraw/zinc/42/17/48/377421748.db2.gz PBAMNJMFARLQHY-UHFFFAOYSA-N 1 1 287.363 3.477 20 30 CGEDMO C=CC[C@@H](CC)NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000566982097 377501820 /nfs/dbraw/zinc/50/18/20/377501820.db2.gz QWTCEVXUTWNDCJ-CABCVRRESA-N 1 1 294.826 3.414 20 30 CGEDMO CCC[N@@H+](C)C[C@@H]1CCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000249089579 377461086 /nfs/dbraw/zinc/46/10/86/377461086.db2.gz CTOZZHCFGUCHFU-WBVHZDCISA-N 1 1 285.435 3.283 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CC[C@@H](C)O1 ZINC000249113477 377464884 /nfs/dbraw/zinc/46/48/84/377464884.db2.gz RPWUFQWSHARCGG-PBHICJAKSA-N 1 1 272.392 3.338 20 30 CGEDMO Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CCCC#N)C2)s1 ZINC000568566633 377520291 /nfs/dbraw/zinc/52/02/91/377520291.db2.gz UPYTZPWAOIBHOM-HNNXBMFYSA-N 1 1 291.464 3.114 20 30 CGEDMO Cc1ccc(CN2CC[C@@H](C[N@H+](C)CCCC#N)C2)s1 ZINC000568566633 377520306 /nfs/dbraw/zinc/52/03/06/377520306.db2.gz UPYTZPWAOIBHOM-HNNXBMFYSA-N 1 1 291.464 3.114 20 30 CGEDMO Cc1ccc(CN2CC[C@@H](C[N@@H+](C)CCCC#N)C2)s1 ZINC000568566633 377520310 /nfs/dbraw/zinc/52/03/10/377520310.db2.gz UPYTZPWAOIBHOM-HNNXBMFYSA-N 1 1 291.464 3.114 20 30 CGEDMO CC[C@H](C)C[N@@H+](CC)CCOc1ccccc1C#N ZINC000093250959 249036040 /nfs/dbraw/zinc/03/60/40/249036040.db2.gz ZSQRMPXUBROSFH-AWEZNQCLSA-N 1 1 260.381 3.305 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H](C)C1CCCCC1 ZINC000569943335 377531326 /nfs/dbraw/zinc/53/13/26/377531326.db2.gz DWQZNAIEAZTYGQ-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H]2C2CCCC2)cc1 ZINC000250066737 377548014 /nfs/dbraw/zinc/54/80/14/377548014.db2.gz YDQKULJHVOPUHV-ZWKOTPCHSA-N 1 1 284.403 3.246 20 30 CGEDMO C=CCCCC[N@@H+]1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000572333870 377548044 /nfs/dbraw/zinc/54/80/44/377548044.db2.gz KSHNYVYJAOIDSW-JYJNAYRXSA-N 1 1 267.413 3.001 20 30 CGEDMO C=CCCCC[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000573436316 377556488 /nfs/dbraw/zinc/55/64/88/377556488.db2.gz ICSMWLGBOFIHQY-INIZCTEOSA-N 1 1 288.435 3.494 20 30 CGEDMO C=CCOCC[N@H+](CCC)CCc1cccs1 ZINC000573744916 377571629 /nfs/dbraw/zinc/57/16/29/377571629.db2.gz CCPHJBZLHKEJQT-UHFFFAOYSA-N 1 1 253.411 3.205 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)Cc1cn(C)nc1CC ZINC000179603253 542202104 /nfs/dbraw/zinc/20/21/04/542202104.db2.gz PZRXBIRULQMWPQ-UHFFFAOYSA-N 1 1 275.421 3.232 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)Cc1cn(C)nc1CC ZINC000179603253 542202107 /nfs/dbraw/zinc/20/21/07/542202107.db2.gz PZRXBIRULQMWPQ-UHFFFAOYSA-N 1 1 275.421 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000265635596 190195276 /nfs/dbraw/zinc/19/52/76/190195276.db2.gz HISQRUUJGPJGIV-UHFFFAOYSA-N 1 1 253.349 3.228 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCCOc2cccc(C#N)c2)[C@H]1C ZINC000252201209 377618095 /nfs/dbraw/zinc/61/80/95/377618095.db2.gz UBYLORFQEUVFOC-CABCVRRESA-N 1 1 272.392 3.448 20 30 CGEDMO C=CCOc1ccccc1C[NH2+][C@H](C)c1cncnc1C ZINC000574170384 377630996 /nfs/dbraw/zinc/63/09/96/377630996.db2.gz FVYNEHJGICSRRG-CYBMUJFWSA-N 1 1 283.375 3.201 20 30 CGEDMO C[N@@H+]1CCN(Cc2cc(C#N)cs2)[C@@H](c2ccccc2)C1 ZINC000252687330 377649994 /nfs/dbraw/zinc/64/99/94/377649994.db2.gz JCMDMMNBMNKWSB-QGZVFWFLSA-N 1 1 297.427 3.108 20 30 CGEDMO C[N@H+]1CCN(Cc2cc(C#N)cs2)[C@@H](c2ccccc2)C1 ZINC000252687330 377650000 /nfs/dbraw/zinc/65/00/00/377650000.db2.gz JCMDMMNBMNKWSB-QGZVFWFLSA-N 1 1 297.427 3.108 20 30 CGEDMO Cc1ccnc([C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)c1 ZINC000574769051 377708569 /nfs/dbraw/zinc/70/85/69/377708569.db2.gz RIHSHVOHTKOBNT-MRXNPFEDSA-N 1 1 295.361 3.390 20 30 CGEDMO Cc1cc(NC[C@@H]2CCCC[N@@H+]2CC(C)C)cc(C#N)n1 ZINC000342782091 377789693 /nfs/dbraw/zinc/78/96/93/377789693.db2.gz OXDVMNWWGXRXKE-KRWDZBQOSA-N 1 1 286.423 3.184 20 30 CGEDMO CC(C)Oc1ccc([C@H](C)[NH2+]CC2(C#N)CC2)cc1 ZINC000343558643 378019565 /nfs/dbraw/zinc/01/95/65/378019565.db2.gz BULNZAMKXQUWPY-ZDUSSCGKSA-N 1 1 258.365 3.428 20 30 CGEDMO C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000265866696 378010942 /nfs/dbraw/zinc/01/09/42/378010942.db2.gz UHUWDFIVBCKELE-UONOGXRCSA-N 1 1 258.365 3.209 20 30 CGEDMO C=CCC[N@H+](C)Cc1c(C(C)C)nc2sc(C)nn12 ZINC000343473285 377989826 /nfs/dbraw/zinc/98/98/26/377989826.db2.gz RVBAPPMGKAJTQS-UHFFFAOYSA-N 1 1 278.425 3.231 20 30 CGEDMO C[C@@H]([NH2+][C@@H](C)c1cc2n(n1)CCC2)c1ccc(C#N)cc1 ZINC000577995080 378029579 /nfs/dbraw/zinc/02/95/79/378029579.db2.gz YLSZWJUGQLLUMS-OLZOCXBDSA-N 1 1 280.375 3.113 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000343588889 378030862 /nfs/dbraw/zinc/03/08/62/378030862.db2.gz KFGHQBXXBNMKQO-MRXNPFEDSA-N 1 1 290.382 3.219 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1cccc(OC)c1 ZINC000268529189 378071335 /nfs/dbraw/zinc/07/13/35/378071335.db2.gz FDEOJRNHMUSVIT-NVXWUHKLSA-N 1 1 275.392 3.159 20 30 CGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H]2c2ccccc2)cc1 ZINC000268569249 378074720 /nfs/dbraw/zinc/07/47/20/378074720.db2.gz AGHSTTAHGVOOOK-RBUKOAKNSA-N 1 1 292.382 3.429 20 30 CGEDMO C=C(C)COCC[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000343832519 378108699 /nfs/dbraw/zinc/10/86/99/378108699.db2.gz FIPZDZVTTIIDEU-VIFPVBQESA-N 1 1 294.342 3.405 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[Si](C)(C)C ZINC000731211890 572402235 /nfs/dbraw/zinc/40/22/35/572402235.db2.gz HBHAAHMGHYMHHB-UHFFFAOYSA-N 1 1 258.441 3.424 20 30 CGEDMO C[C@H](C1CCCCC1)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000580091055 378223209 /nfs/dbraw/zinc/22/32/09/378223209.db2.gz OUIXNEKQJIEMJU-CYBMUJFWSA-N 1 1 257.381 3.354 20 30 CGEDMO CC[C@]1(C)CC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000344211797 378164134 /nfs/dbraw/zinc/16/41/34/378164134.db2.gz FSNHKHIWMLYGOM-GOSISDBHSA-N 1 1 299.418 3.055 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+](CCCO)Cc1ccccc1 ZINC000268982932 378166440 /nfs/dbraw/zinc/16/64/40/378166440.db2.gz PPKBEJBMGNGATL-UHFFFAOYSA-N 1 1 298.361 3.082 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@@H+](CCCO)Cc1ccccc1 ZINC000268982932 378166445 /nfs/dbraw/zinc/16/64/45/378166445.db2.gz PPKBEJBMGNGATL-UHFFFAOYSA-N 1 1 298.361 3.082 20 30 CGEDMO Cc1ccc(N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)nc1C#N ZINC000344973585 378181349 /nfs/dbraw/zinc/18/13/49/378181349.db2.gz KLIXUJWQCJVZIJ-XHSDSOJGSA-N 1 1 298.434 3.103 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)cn1)[C@@H](C)Cc1ccsc1 ZINC000580900647 378266580 /nfs/dbraw/zinc/26/65/80/378266580.db2.gz QWUFOGNLTODTHH-ZDUSSCGKSA-N 1 1 285.416 3.468 20 30 CGEDMO CC[C@H](NCC[N@H+](CC)C(C)C)c1ccc(C#N)cc1 ZINC000580275475 378237650 /nfs/dbraw/zinc/23/76/50/378237650.db2.gz YQPMPJXWCQYCAC-KRWDZBQOSA-N 1 1 273.424 3.329 20 30 CGEDMO CC[C@H](NCC[N@@H+](CC)C(C)C)c1ccc(C#N)cc1 ZINC000580275475 378237653 /nfs/dbraw/zinc/23/76/53/378237653.db2.gz YQPMPJXWCQYCAC-KRWDZBQOSA-N 1 1 273.424 3.329 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1(C)C ZINC000583266475 378316841 /nfs/dbraw/zinc/31/68/41/378316841.db2.gz LENVVFQZEBTEDR-GFCCVEGCSA-N 1 1 287.363 3.334 20 30 CGEDMO C=CC[N@H+](Cc1snnc1C)CC1CCCCC1 ZINC000584056612 378372078 /nfs/dbraw/zinc/37/20/78/378372078.db2.gz XGIPSMJMVNVKPQ-UHFFFAOYSA-N 1 1 265.426 3.415 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C#N)o1)[C@H](C)c1ccccc1 ZINC000271073404 378447272 /nfs/dbraw/zinc/44/72/72/378447272.db2.gz PEHQSBPXZNBNAP-CQSZACIVSA-N 1 1 284.359 3.361 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C#N)o1)[C@@H](C)c1ccccc1 ZINC000271073402 378447356 /nfs/dbraw/zinc/44/73/56/378447356.db2.gz PEHQSBPXZNBNAP-AWEZNQCLSA-N 1 1 284.359 3.361 20 30 CGEDMO C#CCCC[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000271077819 378449066 /nfs/dbraw/zinc/44/90/66/378449066.db2.gz XKTGSZIOQJGLRM-UHFFFAOYSA-N 1 1 271.404 3.329 20 30 CGEDMO N#CCOc1ccc(C[N@@H+]2CCc3cc(F)ccc3C2)cc1 ZINC000271100205 378452702 /nfs/dbraw/zinc/45/27/02/378452702.db2.gz PMCLLNKVSLJQDF-UHFFFAOYSA-N 1 1 296.345 3.286 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CCc3cc(F)ccc3C2)cc1 ZINC000271100205 378452708 /nfs/dbraw/zinc/45/27/08/378452708.db2.gz PMCLLNKVSLJQDF-UHFFFAOYSA-N 1 1 296.345 3.286 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CCC[C@@H]2c2ccncc2)cc1 ZINC000270988169 378423323 /nfs/dbraw/zinc/42/33/23/378423323.db2.gz HMNJHVBAPKSLDO-GOSISDBHSA-N 1 1 293.370 3.321 20 30 CGEDMO C#CCCC[N@H+](CCC)CC(=O)Nc1ccccc1C ZINC000271008120 378426916 /nfs/dbraw/zinc/42/69/16/378426916.db2.gz HJQDTINOTHHPFQ-UHFFFAOYSA-N 1 1 272.392 3.059 20 30 CGEDMO Cc1csc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)n1 ZINC000346202349 378501680 /nfs/dbraw/zinc/50/16/80/378501680.db2.gz UHABNGBYFGYMHO-JTQLQIEISA-N 1 1 275.352 3.313 20 30 CGEDMO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)n[nH]1 ZINC000271949314 378527478 /nfs/dbraw/zinc/52/74/78/378527478.db2.gz ODWLYHXXSHCFGL-PWSUYJOCSA-N 1 1 286.354 3.011 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1cc(Br)cc(C)c1O ZINC000271772667 378505206 /nfs/dbraw/zinc/50/52/06/378505206.db2.gz FOLOCGLXTDTUGR-UHFFFAOYSA-N 1 1 297.196 3.199 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000637623841 378542501 /nfs/dbraw/zinc/54/25/01/378542501.db2.gz OWTPHUZKPYGUNU-GJZGRUSLSA-N 1 1 295.471 3.103 20 30 CGEDMO CN(CCC(C)(C)C#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272050296 378553102 /nfs/dbraw/zinc/55/31/02/378553102.db2.gz UEJCHDACVSLBES-QGZVFWFLSA-N 1 1 285.435 3.133 20 30 CGEDMO C[N@H+](CCC(C)(C)C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272050296 378553109 /nfs/dbraw/zinc/55/31/09/378553109.db2.gz UEJCHDACVSLBES-QGZVFWFLSA-N 1 1 285.435 3.133 20 30 CGEDMO C[N@@H+](CCC(C)(C)C#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272050296 378553112 /nfs/dbraw/zinc/55/31/12/378553112.db2.gz UEJCHDACVSLBES-QGZVFWFLSA-N 1 1 285.435 3.133 20 30 CGEDMO C=CCCC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000346587765 378635647 /nfs/dbraw/zinc/63/56/47/378635647.db2.gz NCSINDRXHBUAFO-HOTGVXAUSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@@H+](CCC[C@H]1CCO1)CCc1ccccc1 ZINC000637973719 378653795 /nfs/dbraw/zinc/65/37/95/378653795.db2.gz BEYFBJQBVDXIIE-KRWDZBQOSA-N 1 1 259.393 3.286 20 30 CGEDMO C[C@H](CO)[N@@H+](CCCCC(C)(C)C#N)C1CCCC1 ZINC000347199632 378709754 /nfs/dbraw/zinc/70/97/54/378709754.db2.gz NAZMTTICNNFWET-CQSZACIVSA-N 1 1 266.429 3.332 20 30 CGEDMO CCO[C@H]1C[C@@H]([N@@H+](C)CC2(C#N)CC2)C1(CC)CC ZINC000347479066 378720614 /nfs/dbraw/zinc/72/06/14/378720614.db2.gz MLOPMLNQZMHNSG-KGLIPLIRSA-N 1 1 264.413 3.206 20 30 CGEDMO C=CCOCCC[N@H+](C)CC1(c2ccccc2)CC1 ZINC000348171054 378821171 /nfs/dbraw/zinc/82/11/71/378821171.db2.gz IWDPBVKATBKWQR-UHFFFAOYSA-N 1 1 259.393 3.243 20 30 CGEDMO C=C(C)C[N@@H+](CCCn1ccnc1)Cc1ccccc1 ZINC000348203636 378837404 /nfs/dbraw/zinc/83/74/04/378837404.db2.gz BMDFUPLCPUXAHP-UHFFFAOYSA-N 1 1 269.392 3.352 20 30 CGEDMO C=CCOc1ccc(C[N@H+](CC2CCC2)[C@@H](C)CO)cc1 ZINC000348290507 378890015 /nfs/dbraw/zinc/89/00/15/378890015.db2.gz OPBZIMAJHRFZMF-HNNXBMFYSA-N 1 1 289.419 3.234 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000274790504 378894939 /nfs/dbraw/zinc/89/49/39/378894939.db2.gz RPXHRUITCDDCIG-CQSZACIVSA-N 1 1 270.380 3.226 20 30 CGEDMO N#Cc1ccccc1OCC[N@H+]1CCC[C@H]1c1cccnc1 ZINC000346976027 218076524 /nfs/dbraw/zinc/07/65/24/218076524.db2.gz GPILVGWNHRXQCD-KRWDZBQOSA-N 1 1 293.370 3.169 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)[C@@H]2CCC[C@H]2O)cc1Cl ZINC000348545312 378985902 /nfs/dbraw/zinc/98/59/02/378985902.db2.gz KNNWETIQYDCSEI-HUUCEWRRSA-N 1 1 295.810 3.250 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](Cc3ccncc3)C2)c(F)c1 ZINC000370722454 379059900 /nfs/dbraw/zinc/05/99/00/379059900.db2.gz SIIIBXZSTTVNFM-MRXNPFEDSA-N 1 1 295.361 3.157 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H]1CCO[C@H]1C ZINC000639457079 379404973 /nfs/dbraw/zinc/40/49/73/379404973.db2.gz WSXIYHLKKNSQJQ-HOCLYGCPSA-N 1 1 275.392 3.108 20 30 CGEDMO C=CCCCC(=O)Nc1cccc2c1C[N@H+](C1CC1)C2 ZINC000375235919 379487880 /nfs/dbraw/zinc/48/78/80/379487880.db2.gz CVXAGBQNTTWMEQ-UHFFFAOYSA-N 1 1 270.376 3.459 20 30 CGEDMO C[C@@H]1C[N@@H+](CCOc2ccc(C#N)cc2)C(C)(C)C1 ZINC000350181098 379525822 /nfs/dbraw/zinc/52/58/22/379525822.db2.gz KGXHVIKSAQMJBT-ZDUSSCGKSA-N 1 1 258.365 3.057 20 30 CGEDMO C=CC[N@H+](Cc1cn(-c2ccccc2)nc1C)C1CC1 ZINC000350272052 379533646 /nfs/dbraw/zinc/53/36/46/379533646.db2.gz XCJUHWWBVBQRIO-UHFFFAOYSA-N 1 1 267.376 3.331 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000375739563 379506286 /nfs/dbraw/zinc/50/62/86/379506286.db2.gz BXGJNIWXHFHOOA-DLBZAZTESA-N 1 1 291.439 3.054 20 30 CGEDMO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000279804536 379521913 /nfs/dbraw/zinc/52/19/13/379521913.db2.gz PLTPTUFTYZIPNL-BLLLJJGKSA-N 1 1 292.810 3.337 20 30 CGEDMO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000279804536 379521915 /nfs/dbraw/zinc/52/19/15/379521915.db2.gz PLTPTUFTYZIPNL-BLLLJJGKSA-N 1 1 292.810 3.337 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@H](n2ccnn2)CC1 ZINC000639816472 379599390 /nfs/dbraw/zinc/59/93/90/379599390.db2.gz FKMITLOZUKQICX-CABCVRRESA-N 1 1 262.401 3.050 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000351608503 379730131 /nfs/dbraw/zinc/73/01/31/379730131.db2.gz NFIXVUCIPRLFCF-SFHVURJKSA-N 1 1 286.419 3.343 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](C1CC1)C1CCC(C)CC1 ZINC000351618143 379731963 /nfs/dbraw/zinc/73/19/63/379731963.db2.gz GXUMWJGLVSIESN-XUJLQICISA-N 1 1 251.414 3.357 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000351632181 379733469 /nfs/dbraw/zinc/73/34/69/379733469.db2.gz IREUERPHPWYEQJ-RYUDHWBXSA-N 1 1 269.335 3.285 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000351632181 379733473 /nfs/dbraw/zinc/73/34/73/379733473.db2.gz IREUERPHPWYEQJ-RYUDHWBXSA-N 1 1 269.335 3.285 20 30 CGEDMO C=C(C)[C@H]([NH2+]Cc1cnc(C)nc1)c1ccc(F)c(F)c1 ZINC000351816865 379744073 /nfs/dbraw/zinc/74/40/73/379744073.db2.gz SUSZJRBKWJWMPB-INIZCTEOSA-N 1 1 289.329 3.470 20 30 CGEDMO C=C(C)CC[N@H+](CC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000351862229 379746344 /nfs/dbraw/zinc/74/63/44/379746344.db2.gz TWPIITODMPYFIK-UHFFFAOYSA-N 1 1 271.364 3.124 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000352403360 379797661 /nfs/dbraw/zinc/79/76/61/379797661.db2.gz VBEMPIOGGRXWGI-CYBMUJFWSA-N 1 1 264.344 3.030 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000280719606 379771976 /nfs/dbraw/zinc/77/19/76/379771976.db2.gz CAQYKYOFFYLXKF-IPMKNSEASA-N 1 1 298.430 3.464 20 30 CGEDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(C#N)cc1 ZINC000352562981 379859939 /nfs/dbraw/zinc/85/99/39/379859939.db2.gz OFBCPOHICAKWAQ-UHFFFAOYSA-N 1 1 295.342 3.141 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC000640613334 379823537 /nfs/dbraw/zinc/82/35/37/379823537.db2.gz TUMQMIUTJNAAPD-ZDUSSCGKSA-N 1 1 290.411 3.010 20 30 CGEDMO N#CC1(F)CC[NH+](CCSc2ccc(F)cc2)CC1 ZINC000352463529 379825660 /nfs/dbraw/zinc/82/56/60/379825660.db2.gz KPBAMHRLDJVGFC-UHFFFAOYSA-N 1 1 282.359 3.245 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1cccc(C#N)c1 ZINC000389932032 379905795 /nfs/dbraw/zinc/90/57/95/379905795.db2.gz LJMMRBGVCGNBTR-BEFAXECRSA-N 1 1 291.398 3.491 20 30 CGEDMO N#Cc1csc(C[NH2+]Cc2ccc(C3CC3)cc2)n1 ZINC000352867852 380012315 /nfs/dbraw/zinc/01/23/15/380012315.db2.gz AZWNLQSTRJWSGD-UHFFFAOYSA-N 1 1 269.373 3.182 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)CC1CCOCC1 ZINC000352946547 380051605 /nfs/dbraw/zinc/05/16/05/380051605.db2.gz JDGGYLHEXMCHQT-UHFFFAOYSA-N 1 1 291.439 3.269 20 30 CGEDMO CCc1ccc[nH+]c1NCc1ccc(C#N)cc1F ZINC000347917811 218399620 /nfs/dbraw/zinc/39/96/20/218399620.db2.gz PFZPYKSOINXLCO-UHFFFAOYSA-N 1 1 255.296 3.267 20 30 CGEDMO C=C(C)C[N@H+](CCC(C)(C)O)Cc1cnn(C(C)C)c1 ZINC000352939581 380049686 /nfs/dbraw/zinc/04/96/86/380049686.db2.gz ABDVOAIREFXFTP-UHFFFAOYSA-N 1 1 279.428 3.003 20 30 CGEDMO C=CCN(CC1CCCCC1)[C@@H](C)c1n[nH]c(C)n1 ZINC000411263505 380135331 /nfs/dbraw/zinc/13/53/31/380135331.db2.gz STYFBQWRZVDLIK-LBPRGKRZSA-N 1 1 262.401 3.242 20 30 CGEDMO C=CC[N@H+](CC1CCCCC1)[C@@H](C)c1nnc(C)[nH]1 ZINC000411263505 380135339 /nfs/dbraw/zinc/13/53/39/380135339.db2.gz STYFBQWRZVDLIK-LBPRGKRZSA-N 1 1 262.401 3.242 20 30 CGEDMO C=CC[N@@H+](CC1CCCCC1)[C@@H](C)c1nnc(C)[nH]1 ZINC000411263505 380135348 /nfs/dbraw/zinc/13/53/48/380135348.db2.gz STYFBQWRZVDLIK-LBPRGKRZSA-N 1 1 262.401 3.242 20 30 CGEDMO COc1cccc(C2=CC[N@H+]([C@H](C)CCC#N)CC2)c1 ZINC000411217945 380136424 /nfs/dbraw/zinc/13/64/24/380136424.db2.gz HXYNIDRICFLZKC-CQSZACIVSA-N 1 1 270.376 3.477 20 30 CGEDMO C[N@@H+](CCCn1ccnc1)CCC1(C#N)CCCCC1 ZINC000411416717 380146888 /nfs/dbraw/zinc/14/68/88/380146888.db2.gz FDOXUMQVJHTMNR-UHFFFAOYSA-N 1 1 274.412 3.069 20 30 CGEDMO C[N@@H+](CCC1(C#N)CCCCC1)C[C@H]1CCCC[C@H]1O ZINC000411483992 380148347 /nfs/dbraw/zinc/14/83/47/380148347.db2.gz GJSULPWLFGCSHC-HZPDHXFCSA-N 1 1 278.440 3.333 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCC1(O)CCC1 ZINC000411116587 380130320 /nfs/dbraw/zinc/13/03/20/380130320.db2.gz YPTFAAKDPBQDEF-IRXDYDNUSA-N 1 1 284.403 3.063 20 30 CGEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CC[C@@H](C#N)C1 ZINC000411191821 380134215 /nfs/dbraw/zinc/13/42/15/380134215.db2.gz KHYMBLDMEUDZFD-UKRRQHHQSA-N 1 1 285.347 3.275 20 30 CGEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)CCOC ZINC000411189767 380134391 /nfs/dbraw/zinc/13/43/91/380134391.db2.gz GLSIGCBJRJIUMG-ZDUSSCGKSA-N 1 1 278.352 3.008 20 30 CGEDMO C=CC[N@H+](C[C@@H](O)COc1ccccc1SC)C(C)C ZINC000411180043 380134714 /nfs/dbraw/zinc/13/47/14/380134714.db2.gz MTLUHIWQGIEDJA-CQSZACIVSA-N 1 1 295.448 3.045 20 30 CGEDMO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)CC#N ZINC000414163950 380196238 /nfs/dbraw/zinc/19/62/38/380196238.db2.gz JNZXJARGHLVSMA-SJLPKXTDSA-N 1 1 299.462 3.426 20 30 CGEDMO CC(C)[C@H](CN[C@H]1CCc2ccc(C#N)cc21)[NH+]1CCCC1 ZINC000353411161 380206637 /nfs/dbraw/zinc/20/66/37/380206637.db2.gz JVVSPJGWKNWGES-OALUTQOASA-N 1 1 297.446 3.256 20 30 CGEDMO CC(C)(C)OC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000268334777 190395872 /nfs/dbraw/zinc/39/58/72/190395872.db2.gz YIZLCXBKWFRZLJ-UHFFFAOYSA-N 1 1 272.392 3.338 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000353743273 380221557 /nfs/dbraw/zinc/22/15/57/380221557.db2.gz CCTZOFUSODANFN-INIZCTEOSA-N 1 1 264.413 3.209 20 30 CGEDMO CC[N@H+](Cc1cnc2ccc(C#N)cn12)Cc1occc1C ZINC000414548205 380313571 /nfs/dbraw/zinc/31/35/71/380313571.db2.gz JJVBHJHHFZDXMH-UHFFFAOYSA-N 1 1 294.358 3.130 20 30 CGEDMO CC[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1occc1C ZINC000414548205 380313576 /nfs/dbraw/zinc/31/35/76/380313576.db2.gz JJVBHJHHFZDXMH-UHFFFAOYSA-N 1 1 294.358 3.130 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000644960840 380554338 /nfs/dbraw/zinc/55/43/38/380554338.db2.gz VLNQXPUEHYOLMS-GDBMZVCRSA-N 1 1 261.409 3.069 20 30 CGEDMO C=CC[N@H+](Cc1cncn1CC)CC1CCCCC1 ZINC000417766789 380674648 /nfs/dbraw/zinc/67/46/48/380674648.db2.gz APVPZQVYFMUTGF-UHFFFAOYSA-N 1 1 261.413 3.471 20 30 CGEDMO CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000355744238 380766977 /nfs/dbraw/zinc/76/69/77/380766977.db2.gz KPYSHQXJDPTPGD-GOSISDBHSA-N 1 1 286.419 3.126 20 30 CGEDMO C=CC[N@@H+](CCC[C@H]1CCOC1)Cc1ccccc1 ZINC000645769259 380724764 /nfs/dbraw/zinc/72/47/64/380724764.db2.gz IEZQJVPUZAMBAY-KRWDZBQOSA-N 1 1 259.393 3.491 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCSC[C@@H]1C1CCC1 ZINC000419361652 380814966 /nfs/dbraw/zinc/81/49/66/380814966.db2.gz MUZYSXBHTSHUAS-MRXNPFEDSA-N 1 1 290.407 3.415 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCSC[C@@H]1C1CCC1 ZINC000419361652 380814968 /nfs/dbraw/zinc/81/49/68/380814968.db2.gz MUZYSXBHTSHUAS-MRXNPFEDSA-N 1 1 290.407 3.415 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1C[C@H](C)[C@@H](C)[C@H]1C ZINC000419368993 380817953 /nfs/dbraw/zinc/81/79/53/380817953.db2.gz GPUBZGYARODQKH-YNEHKIRRSA-N 1 1 258.365 3.043 20 30 CGEDMO C=CCN1CC[C@@H]([N@@H+](C(C)C)[C@H](C)c2ccsc2)C1=O ZINC000421001019 380865618 /nfs/dbraw/zinc/86/56/18/380865618.db2.gz FEQWJOCEOQPMLY-UKRRQHHQSA-N 1 1 292.448 3.306 20 30 CGEDMO N#CC1(C[NH2+][C@H](CC(F)F)c2ccccc2)CC1 ZINC000420996366 380867135 /nfs/dbraw/zinc/86/71/35/380867135.db2.gz QJZBZQDJZXASCF-GFCCVEGCSA-N 1 1 250.292 3.276 20 30 CGEDMO COCC#CC[N@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000646118598 380841578 /nfs/dbraw/zinc/84/15/78/380841578.db2.gz LPSOHMBBBFGKRC-QGZVFWFLSA-N 1 1 267.372 3.030 20 30 CGEDMO C[C@H]1CCSCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000279224026 194340815 /nfs/dbraw/zinc/34/08/15/194340815.db2.gz IMCBVSHMQFHXEX-ZDUSSCGKSA-N 1 1 285.416 3.138 20 30 CGEDMO C[C@@]1(Cc2ccc(F)cc2)CCC[N@H+]1CCOCCC#N ZINC000420920714 380860074 /nfs/dbraw/zinc/86/00/74/380860074.db2.gz BOIGAVLBHPDWQG-KRWDZBQOSA-N 1 1 290.382 3.153 20 30 CGEDMO C[NH+](C)Cc1ccc(CNCc2ccc(C#N)cc2F)cc1 ZINC000357290342 381095307 /nfs/dbraw/zinc/09/53/07/381095307.db2.gz CUOOKIGBQNYLMK-UHFFFAOYSA-N 1 1 297.377 3.049 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1cnc(-c2ccc(C)o2)s1 ZINC000358291330 381301541 /nfs/dbraw/zinc/30/15/41/381301541.db2.gz SXTMALBUPXWWFW-LLVKDONJSA-N 1 1 275.377 3.493 20 30 CGEDMO C[C@H]1CCC[C@H](C)[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000357740298 381272094 /nfs/dbraw/zinc/27/20/94/381272094.db2.gz JAFQHXNEZAXKEN-GJZGRUSLSA-N 1 1 299.418 3.397 20 30 CGEDMO CC(C)[C@@H]1[N@@H+](Cc2cccc(C#N)c2)CC12CCOCC2 ZINC000334823303 207140402 /nfs/dbraw/zinc/14/04/02/207140402.db2.gz BRLSSMULHYZSRH-KRWDZBQOSA-N 1 1 284.403 3.195 20 30 CGEDMO CC[C@H](C)C[N@@H+](CC)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000361337508 381705041 /nfs/dbraw/zinc/70/50/41/381705041.db2.gz SHIYLNUWKIRPKW-HNNXBMFYSA-N 1 1 293.455 3.039 20 30 CGEDMO CC(C)[N@@H+](CCCCC(C)(C)C#N)[C@H]1CCOC1 ZINC000361409019 381735578 /nfs/dbraw/zinc/73/55/78/381735578.db2.gz RVWSBBYUHHSWIO-AWEZNQCLSA-N 1 1 252.402 3.206 20 30 CGEDMO CCC[N@@H+](Cc1cc(C#N)n(C)c1)Cc1ccc(F)cc1 ZINC000361510097 381782544 /nfs/dbraw/zinc/78/25/44/381782544.db2.gz GLSHLPXTDNJDAC-UHFFFAOYSA-N 1 1 285.366 3.448 20 30 CGEDMO N#CCCCC[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000361479686 381764046 /nfs/dbraw/zinc/76/40/46/381764046.db2.gz SUWQAUJALICAEQ-OAHLLOKOSA-N 1 1 260.406 3.470 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@@H]2CC(C)(C)C)cc1C#N ZINC000361567745 381809544 /nfs/dbraw/zinc/80/95/44/381809544.db2.gz VIUSAOJQAIBCGJ-CQSZACIVSA-N 1 1 259.397 3.297 20 30 CGEDMO C[C@H]1CCOCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000362231876 381912427 /nfs/dbraw/zinc/91/24/27/381912427.db2.gz ACIFXCJADMQQEN-ZDUSSCGKSA-N 1 1 297.320 3.168 20 30 CGEDMO C[C@H]1CCOCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000362231876 381912433 /nfs/dbraw/zinc/91/24/33/381912433.db2.gz ACIFXCJADMQQEN-ZDUSSCGKSA-N 1 1 297.320 3.168 20 30 CGEDMO C[C@H](N[C@H]1CC[N@H+](C2CCCC2)C1)c1cccc(C#N)c1 ZINC000362237400 381914503 /nfs/dbraw/zinc/91/45/03/381914503.db2.gz OKLGMOJURQXCBF-YOEHRIQHSA-N 1 1 283.419 3.226 20 30 CGEDMO C[C@H]([NH2+][C@H]1CCN(C2CCCC2)C1)c1cccc(C#N)c1 ZINC000362237400 381914508 /nfs/dbraw/zinc/91/45/08/381914508.db2.gz OKLGMOJURQXCBF-YOEHRIQHSA-N 1 1 283.419 3.226 20 30 CGEDMO CSC[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000362294890 381930683 /nfs/dbraw/zinc/93/06/83/381930683.db2.gz JIASGSOUEFVWIO-LBPRGKRZSA-N 1 1 264.369 3.025 20 30 CGEDMO CSC[C@@H]1CCC[N@H+]1Cc1cccc(F)c1C#N ZINC000362294890 381930689 /nfs/dbraw/zinc/93/06/89/381930689.db2.gz JIASGSOUEFVWIO-LBPRGKRZSA-N 1 1 264.369 3.025 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](CCOc2ccccc2C#N)CCS1 ZINC000362384565 381967236 /nfs/dbraw/zinc/96/72/36/381967236.db2.gz HPHGKRWGSZMNEG-INIZCTEOSA-N 1 1 290.432 3.010 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@@H+](CCO)CC1CCCCC1 ZINC000362582592 382067059 /nfs/dbraw/zinc/06/70/59/382067059.db2.gz ZYINBDGTOCRIKW-UHFFFAOYSA-N 1 1 290.382 3.072 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC000366777932 382318299 /nfs/dbraw/zinc/31/82/99/382318299.db2.gz AZPTZTWRVJQUHP-RDJZCZTQSA-N 1 1 290.382 3.043 20 30 CGEDMO COCCc1cc[nH+]c(N[C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000353845414 220362976 /nfs/dbraw/zinc/36/29/76/220362976.db2.gz NCFFCEURPXSLKX-LBPRGKRZSA-N 1 1 299.349 3.454 20 30 CGEDMO COc1cccc(C2=CC[N@H+]([C@@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000336128554 533439600 /nfs/dbraw/zinc/43/96/00/533439600.db2.gz ZFDVXWZQQBNSTO-WMLDXEAASA-N 1 1 282.387 3.477 20 30 CGEDMO Cc1cc(C[N@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)ccc1C#N ZINC000449539580 533636367 /nfs/dbraw/zinc/63/63/67/533636367.db2.gz LWBDJDQGLPSOBD-MSOLQXFVSA-N 1 1 266.388 3.487 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@](CC)(CO)C2)c1 ZINC000190234201 130076807 /nfs/dbraw/zinc/07/68/07/130076807.db2.gz NAFKPNLIQUVGSX-SFHVURJKSA-N 1 1 289.419 3.236 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCSC[C@H](C)C1 ZINC000190484196 130108896 /nfs/dbraw/zinc/10/88/96/130108896.db2.gz CVDXBYRTSQVVBY-OLZOCXBDSA-N 1 1 260.406 3.304 20 30 CGEDMO Cn1cc(C[N@@H+](Cc2ccccc2)C2CC2)cc1C#N ZINC000191208348 130201968 /nfs/dbraw/zinc/20/19/68/130201968.db2.gz UUDCNEZMANJYFE-UHFFFAOYSA-N 1 1 265.360 3.061 20 30 CGEDMO Cn1cc(C[N@@H+](Cc2ccco2)C2CCCC2)cc1C#N ZINC000191227433 130205273 /nfs/dbraw/zinc/20/52/73/130205273.db2.gz UENGKLMCTQCCTG-UHFFFAOYSA-N 1 1 283.375 3.435 20 30 CGEDMO CC[N@@H+](Cc1cc(C#N)n(C)c1)[C@H](C)c1cccc(O)c1 ZINC000191253616 130209973 /nfs/dbraw/zinc/20/99/73/130209973.db2.gz HCAOOGOBKOWPHT-CYBMUJFWSA-N 1 1 283.375 3.185 20 30 CGEDMO Cc1ccccc1C[N@@H+](C)CCOc1ccccc1C#N ZINC000048554140 392003856 /nfs/dbraw/zinc/00/38/56/392003856.db2.gz ITRYOVCPAFSWKN-UHFFFAOYSA-N 1 1 280.371 3.378 20 30 CGEDMO CC(C)[N@@H+](CC(=O)Nc1cccc(C#N)c1)C1CCCC1 ZINC000068448870 392165308 /nfs/dbraw/zinc/16/53/08/392165308.db2.gz LHKTYUSLWHJDPH-UHFFFAOYSA-N 1 1 285.391 3.150 20 30 CGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](C)CC1 ZINC000068830215 392168680 /nfs/dbraw/zinc/16/86/80/392168680.db2.gz WAYPLMNBRMQHTJ-KBPBESRZSA-N 1 1 285.391 3.007 20 30 CGEDMO CC1(C)CCC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000070259038 392179874 /nfs/dbraw/zinc/17/98/74/392179874.db2.gz ODCHSVRSTOUCRS-UHFFFAOYSA-N 1 1 272.392 3.449 20 30 CGEDMO C[C@@H]1C[N@H+](CCCOc2cccc(C#N)c2)C[C@H](C)S1 ZINC000070383279 392182047 /nfs/dbraw/zinc/18/20/47/392182047.db2.gz RUBHIPMMVBDSAG-OKILXGFUSA-N 1 1 290.432 3.153 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)Cc1ccc(C#N)o1 ZINC000092505658 392233304 /nfs/dbraw/zinc/23/33/04/392233304.db2.gz NYZBQBSQHYXPSB-UHFFFAOYSA-N 1 1 266.344 3.382 20 30 CGEDMO C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)[C@@H]1CCOC1 ZINC000106881549 392311592 /nfs/dbraw/zinc/31/15/92/392311592.db2.gz ADVKYKBXQKMCSY-GOSISDBHSA-N 1 1 292.382 3.446 20 30 CGEDMO C=CC[C@H]1[N@@H+](CCc2ccnn2C)CCCC1(C)C ZINC000282967277 392299237 /nfs/dbraw/zinc/29/92/37/392299237.db2.gz DUOMANWZIULCNU-OAHLLOKOSA-N 1 1 261.413 3.029 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@H](C)C1(C)CC1 ZINC000121183632 392411376 /nfs/dbraw/zinc/41/13/76/392411376.db2.gz IDTVRYGJIUCZSE-GFCCVEGCSA-N 1 1 258.365 3.187 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCC[C@H](c3ccncc3)C2)cc1 ZINC000289293746 392418964 /nfs/dbraw/zinc/41/89/64/392418964.db2.gz HLUVOWOMPAYMNX-SFHVURJKSA-N 1 1 294.373 3.452 20 30 CGEDMO C=C[C@H](CO)[NH2+][C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000289804871 392433354 /nfs/dbraw/zinc/43/33/54/392433354.db2.gz OEQWZYOXWCOTEA-HTQZYQBOSA-N 1 1 278.154 3.330 20 30 CGEDMO C=C[C@@H](CO)[NH2+][C@@H](C)c1cc(F)c(Cl)cc1Cl ZINC000289804875 392433385 /nfs/dbraw/zinc/43/33/85/392433385.db2.gz OEQWZYOXWCOTEA-YUMQZZPRSA-N 1 1 278.154 3.330 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccc(F)cc1C(=O)OC ZINC000121135001 392409406 /nfs/dbraw/zinc/40/94/06/392409406.db2.gz SGGSBGOLANCWFZ-UHFFFAOYSA-N 1 1 265.328 3.010 20 30 CGEDMO C=CC[N@H+](Cc1c(C)nn(C)c1C)Cc1ccc(OC)cc1 ZINC000154936057 392538159 /nfs/dbraw/zinc/53/81/59/392538159.db2.gz VLOOSHNEWKTMBH-UHFFFAOYSA-N 1 1 299.418 3.234 20 30 CGEDMO C=CC[N@@H+](Cc1c(C)nn(C)c1C)Cc1ccc(OC)cc1 ZINC000154936057 392538169 /nfs/dbraw/zinc/53/81/69/392538169.db2.gz VLOOSHNEWKTMBH-UHFFFAOYSA-N 1 1 299.418 3.234 20 30 CGEDMO C=CCOc1ccccc1CNc1cc(C)[nH+]c(C)n1 ZINC000301291645 392586883 /nfs/dbraw/zinc/58/68/83/392586883.db2.gz WTNLTOLIUSPIOX-UHFFFAOYSA-N 1 1 269.348 3.270 20 30 CGEDMO Cc1cc(C)c([NH+]=C([O-])N[C@H]2CCn3cc[nH+]c3C2)c(C)c1 ZINC000330245024 392693148 /nfs/dbraw/zinc/69/31/48/392693148.db2.gz KNBQJZDXLXXEKF-AWEZNQCLSA-N 1 1 298.390 3.149 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000181319171 392728839 /nfs/dbraw/zinc/72/88/39/392728839.db2.gz FLOOVICQQNFOJU-GFCCVEGCSA-N 1 1 280.799 3.483 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000181319171 392728844 /nfs/dbraw/zinc/72/88/44/392728844.db2.gz FLOOVICQQNFOJU-GFCCVEGCSA-N 1 1 280.799 3.483 20 30 CGEDMO CC(C)CC[N@@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182664823 392747665 /nfs/dbraw/zinc/74/76/65/392747665.db2.gz YKZALDCYDDGPQB-KRWDZBQOSA-N 1 1 299.418 3.032 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180177906 392707388 /nfs/dbraw/zinc/70/73/88/392707388.db2.gz VFUJEEHBGKCHDC-UHFFFAOYSA-N 1 1 294.402 3.357 20 30 CGEDMO C[N@@H+](Cc1cccc2[nH]ccc21)[C@H]1CC[C@H](C#N)C1 ZINC000334320469 392718710 /nfs/dbraw/zinc/71/87/10/392718710.db2.gz VTQLGFOWTISLOZ-JSGCOSHPSA-N 1 1 253.349 3.292 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)cc1 ZINC000335234254 392784495 /nfs/dbraw/zinc/78/44/95/392784495.db2.gz QCFOHOFZDVUCIX-SFHVURJKSA-N 1 1 296.414 3.339 20 30 CGEDMO COc1ccc(OCCC[N@H+](C[C@@H](C)C#N)C2CC2)cc1 ZINC000338351346 392910899 /nfs/dbraw/zinc/91/08/99/392910899.db2.gz IRLMTNHOHXARAH-AWEZNQCLSA-N 1 1 288.391 3.088 20 30 CGEDMO COc1ccc(OCCC[N@@H+](C[C@@H](C)C#N)C2CC2)cc1 ZINC000338351346 392910904 /nfs/dbraw/zinc/91/09/04/392910904.db2.gz IRLMTNHOHXARAH-AWEZNQCLSA-N 1 1 288.391 3.088 20 30 CGEDMO C=CCC[N@H+](CC)C1CCC(C(=O)OCC)CC1 ZINC000338368646 392912824 /nfs/dbraw/zinc/91/28/24/392912824.db2.gz HHSHPHOJOFYTND-UHFFFAOYSA-N 1 1 253.386 3.006 20 30 CGEDMO C[C@H](C#N)C[N@@H+](CCCOCCc1ccccc1)C1CC1 ZINC000338384635 392914255 /nfs/dbraw/zinc/91/42/55/392914255.db2.gz SBPUOTBSNUTWSN-MRXNPFEDSA-N 1 1 286.419 3.260 20 30 CGEDMO C=CCOCCC[N@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000338585044 392921209 /nfs/dbraw/zinc/92/12/09/392921209.db2.gz JLWPKLOEBCECFP-INIZCTEOSA-N 1 1 281.346 3.289 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000338585044 392921216 /nfs/dbraw/zinc/92/12/16/392921216.db2.gz JLWPKLOEBCECFP-INIZCTEOSA-N 1 1 281.346 3.289 20 30 CGEDMO CC(C)C[C@@H]1CCC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459318804 392939754 /nfs/dbraw/zinc/93/97/54/392939754.db2.gz CKYMTKSKGMBONB-AWEZNQCLSA-N 1 1 287.363 3.477 20 30 CGEDMO CC(C)C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1CC1 ZINC000459303765 392940128 /nfs/dbraw/zinc/94/01/28/392940128.db2.gz FNRSBEAWQBPRQG-UHFFFAOYSA-N 1 1 273.336 3.087 20 30 CGEDMO CC(C)C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1CC1 ZINC000459303765 392940130 /nfs/dbraw/zinc/94/01/30/392940130.db2.gz FNRSBEAWQBPRQG-UHFFFAOYSA-N 1 1 273.336 3.087 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CC(C)(C)C1 ZINC000395358449 392941305 /nfs/dbraw/zinc/94/13/05/392941305.db2.gz CXJYZFHNKOKFCL-UHFFFAOYSA-N 1 1 285.391 3.007 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@H](c3c(F)cccc3F)C2)C1 ZINC000339095160 392949916 /nfs/dbraw/zinc/94/99/16/392949916.db2.gz JMJFGRBOGWDQCX-AGIUHOORSA-N 1 1 276.330 3.446 20 30 CGEDMO C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCCC1 ZINC000198097057 392977295 /nfs/dbraw/zinc/97/72/95/392977295.db2.gz LWRAAVXSVWKVKT-UHFFFAOYSA-N 1 1 291.782 3.025 20 30 CGEDMO C[C@H]1CC[C@H]([N@@H+](CCO)CCC2(C#N)CCCCC2)C1 ZINC000411653279 392984148 /nfs/dbraw/zinc/98/41/48/392984148.db2.gz VQNIIFBPXQYHOA-HOTGVXAUSA-N 1 1 278.440 3.333 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)Cc1cc(-c2ccccc2)no1 ZINC000411641096 392984983 /nfs/dbraw/zinc/98/49/83/392984983.db2.gz LMDYIOOQHABHNI-UHFFFAOYSA-N 1 1 299.418 3.281 20 30 CGEDMO CCC[N@H+](CCN1CCCCCC1)[C@H]1CC[C@@H](C#N)C1 ZINC000411737235 392985727 /nfs/dbraw/zinc/98/57/27/392985727.db2.gz PAOPCMZJQZVTIA-SJORKVTESA-N 1 1 277.456 3.267 20 30 CGEDMO CCC[N@@H+](CCN1CCCCCC1)[C@H]1CC[C@@H](C#N)C1 ZINC000411737235 392985733 /nfs/dbraw/zinc/98/57/33/392985733.db2.gz PAOPCMZJQZVTIA-SJORKVTESA-N 1 1 277.456 3.267 20 30 CGEDMO CC[N@@H+](CCC1(C#N)CCCCC1)C[C@@H](C)OC ZINC000411741556 392986803 /nfs/dbraw/zinc/98/68/03/392986803.db2.gz ADNJCKHXVIDIFH-CQSZACIVSA-N 1 1 252.402 3.207 20 30 CGEDMO COCC[C@H]([NH2+]CCC#N)c1cccc(C(F)(F)F)c1 ZINC000411788150 392989015 /nfs/dbraw/zinc/98/90/15/392989015.db2.gz LTEMQSYHPYNNOQ-ZDUSSCGKSA-N 1 1 286.297 3.286 20 30 CGEDMO N#CC1(CC[N@H+]2CCO[C@@H](C3CCC3)C2)CCCCC1 ZINC000411839215 392990869 /nfs/dbraw/zinc/99/08/69/392990869.db2.gz CUNPBOJDHLDXMN-MRXNPFEDSA-N 1 1 276.424 3.351 20 30 CGEDMO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000342800287 393006866 /nfs/dbraw/zinc/00/68/66/393006866.db2.gz QXPRSMOOUNAZBN-HZSPNIEDSA-N 1 1 282.391 3.072 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)cc1 ZINC000342829065 393008693 /nfs/dbraw/zinc/00/86/93/393008693.db2.gz ZNLPKWUTVVEKNZ-ZWKOTPCHSA-N 1 1 287.403 3.395 20 30 CGEDMO N#CC1(C[N@H+]2CCC[C@@H]2CC(=O)c2ccc(F)cc2)CC1 ZINC000343315277 393024174 /nfs/dbraw/zinc/02/41/74/393024174.db2.gz WNVNDCCPUGJQLA-OAHLLOKOSA-N 1 1 286.350 3.167 20 30 CGEDMO N#CC1(C[N@@H+]2CCC[C@@H]2CC(=O)c2ccc(F)cc2)CC1 ZINC000343315277 393024180 /nfs/dbraw/zinc/02/41/80/393024180.db2.gz WNVNDCCPUGJQLA-OAHLLOKOSA-N 1 1 286.350 3.167 20 30 CGEDMO CC(C)[N@@H+](CCOc1cccc(C#N)c1)Cc1ccco1 ZINC000346353344 393083888 /nfs/dbraw/zinc/08/38/88/393083888.db2.gz PPJRMHMMPJYGDY-UHFFFAOYSA-N 1 1 284.359 3.441 20 30 CGEDMO N#Cc1ccc(C[N@@H+](CC[C@@H]2CCCCO2)C2CC2)cc1 ZINC000347397901 393102956 /nfs/dbraw/zinc/10/29/56/393102956.db2.gz ZTTGPDNYSAXIRZ-SFHVURJKSA-N 1 1 284.403 3.482 20 30 CGEDMO C[C@H](NCC[NH+]1[C@H](C)CCC[C@H]1C)c1cccc(C#N)c1 ZINC000344074251 393037406 /nfs/dbraw/zinc/03/74/06/393037406.db2.gz MNEJNXGGJFKOHX-OAGGEKHMSA-N 1 1 285.435 3.472 20 30 CGEDMO CC(C)CO[C@@H]1CC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000247627201 393078118 /nfs/dbraw/zinc/07/81/18/393078118.db2.gz NPJFYQOXBYKZOY-RHSMWYFYSA-N 1 1 272.392 3.366 20 30 CGEDMO CN(C)c1ccc(C[N@@H+](CCCCC#N)C2CC2)cc1 ZINC000263933164 393154817 /nfs/dbraw/zinc/15/48/17/393154817.db2.gz NQIYPKKCHWBHCE-UHFFFAOYSA-N 1 1 271.408 3.411 20 30 CGEDMO Cc1cccc(-c2n[nH]cc2C[N@@H+](C)CC(C)(C)C#N)c1 ZINC000354039583 393238842 /nfs/dbraw/zinc/23/88/42/393238842.db2.gz NJYXEXVLMZYVGF-UHFFFAOYSA-N 1 1 282.391 3.367 20 30 CGEDMO Cc1cccc(-c2n[nH]cc2C[N@H+](C)CC(C)(C)C#N)c1 ZINC000354039583 393238848 /nfs/dbraw/zinc/23/88/48/393238848.db2.gz NJYXEXVLMZYVGF-UHFFFAOYSA-N 1 1 282.391 3.367 20 30 CGEDMO C=CCCCCC[NH2+][C@H](Cc1ccccc1)[C@H](C)N ZINC000570696391 393198058 /nfs/dbraw/zinc/19/80/58/393198058.db2.gz LOCFAWJQCFROON-DOTOQJQBSA-N 1 1 260.425 3.281 20 30 CGEDMO C[C@@H]1CCSCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000279316586 393332190 /nfs/dbraw/zinc/33/21/90/393332190.db2.gz RYIHIEMQVJLHKV-LLVKDONJSA-N 1 1 264.369 3.025 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@](C)(OC)C1 ZINC000355227895 393268168 /nfs/dbraw/zinc/26/81/68/393268168.db2.gz WAZSIPHUEPMFER-KRWDZBQOSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CCCCC[N@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000649248381 393384370 /nfs/dbraw/zinc/38/43/70/393384370.db2.gz ZXRVCXBESHHJPL-UHFFFAOYSA-N 1 1 266.429 3.066 20 30 CGEDMO CC[C@H](C)[C@H](C)[N@@H+](Cc1nc(C#N)cs1)C1CC1 ZINC000356219712 393386500 /nfs/dbraw/zinc/38/65/00/393386500.db2.gz ODVGLDDTPDQATO-QWRGUYRKSA-N 1 1 263.410 3.414 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)c2ccccc2C)n1 ZINC000279788009 393336425 /nfs/dbraw/zinc/33/64/25/393336425.db2.gz VDWDICFJVXLZLA-INIZCTEOSA-N 1 1 281.403 3.408 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)[C@@H](C)c2ccccc2C)n1 ZINC000279788009 393336432 /nfs/dbraw/zinc/33/64/32/393336432.db2.gz VDWDICFJVXLZLA-INIZCTEOSA-N 1 1 281.403 3.408 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000649360606 393404920 /nfs/dbraw/zinc/40/49/20/393404920.db2.gz UBOCQGTYHSEAJQ-UHFFFAOYSA-N 1 1 286.419 3.367 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000356061151 393355152 /nfs/dbraw/zinc/35/51/52/393355152.db2.gz JXNSJBKINXBMPT-JTQLQIEISA-N 1 1 268.282 3.419 20 30 CGEDMO CO[C@H](CC(C)C)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000419207606 393364434 /nfs/dbraw/zinc/36/44/34/393364434.db2.gz UGBPIKVSEVSYAK-MRXNPFEDSA-N 1 1 260.381 3.051 20 30 CGEDMO C=CC[N@H+](CCc1cncc(C)n1)Cc1ccccc1 ZINC000649478146 393443121 /nfs/dbraw/zinc/44/31/21/393443121.db2.gz VOEQIWVGPFVSPX-UHFFFAOYSA-N 1 1 267.376 3.016 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(Cl)cc1)[C@H](CO)c1ccccc1 ZINC000427602562 393458042 /nfs/dbraw/zinc/45/80/42/393458042.db2.gz QNGNKJALRYCXCG-GOSISDBHSA-N 1 1 299.801 3.357 20 30 CGEDMO Cc1cc(C[N@H+](C)[C@H](C)c2ccncc2)ccc1C#N ZINC000488136424 393462248 /nfs/dbraw/zinc/46/22/48/393462248.db2.gz GZNQVYQLHHJMOE-CQSZACIVSA-N 1 1 265.360 3.455 20 30 CGEDMO Cc1cc(C[N@@H+](C)CCC2CCOCC2)ccc1C#N ZINC000488191672 393469947 /nfs/dbraw/zinc/46/99/47/393469947.db2.gz FTPCJYAZQBDYJV-UHFFFAOYSA-N 1 1 272.392 3.115 20 30 CGEDMO CC(C)[C@H]1[N@@H+](Cc2cnc3ccc(C#N)cn23)CC12CCC2 ZINC000430108679 393524356 /nfs/dbraw/zinc/52/43/56/393524356.db2.gz WNHDWGLARASABJ-QGZVFWFLSA-N 1 1 294.402 3.216 20 30 CGEDMO COc1ccc2c(c1)C[C@@H](C)[N@H+](CCCC#N)[C@@H]2C ZINC000359539337 393550504 /nfs/dbraw/zinc/55/05/04/393550504.db2.gz ORLNHPBGPHUWMP-CHWSQXEVSA-N 1 1 258.365 3.307 20 30 CGEDMO CC1=C[C@@H](C)C[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000430266074 393552043 /nfs/dbraw/zinc/55/20/43/393552043.db2.gz GGCJQCNVVGJSRS-CQSZACIVSA-N 1 1 270.376 3.225 20 30 CGEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)C1CC(OC(C)(C)C)C1 ZINC000420998988 393568754 /nfs/dbraw/zinc/56/87/54/393568754.db2.gz BRSBYBQDBRPIGP-UHFFFAOYSA-N 1 1 290.382 3.475 20 30 CGEDMO CC(C)[N@H+](C)CCN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360841306 393596894 /nfs/dbraw/zinc/59/68/94/393596894.db2.gz RIVDLZXAYLAPJA-GOSISDBHSA-N 1 1 285.435 3.256 20 30 CGEDMO CC(C)[N@@H+](C)CCN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360841306 393596896 /nfs/dbraw/zinc/59/68/96/393596896.db2.gz RIVDLZXAYLAPJA-GOSISDBHSA-N 1 1 285.435 3.256 20 30 CGEDMO CCCc1nc(C)c(C[NH2+]Cc2ccc(C#N)c(C)c2)o1 ZINC000492259937 393710550 /nfs/dbraw/zinc/71/05/50/393710550.db2.gz QTLYTFJUUBAYIB-UHFFFAOYSA-N 1 1 283.375 3.405 20 30 CGEDMO Cc1cc(CN[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)ccc1C#N ZINC000443970253 393779480 /nfs/dbraw/zinc/77/94/80/393779480.db2.gz RDJOYGCILWUVDC-HOCLYGCPSA-N 1 1 285.435 3.077 20 30 CGEDMO Cc1cc(CN[C@@H](C)C[N@H+]2CCC[C@H](C)C2)ccc1C#N ZINC000443970253 393779482 /nfs/dbraw/zinc/77/94/82/393779482.db2.gz RDJOYGCILWUVDC-HOCLYGCPSA-N 1 1 285.435 3.077 20 30 CGEDMO Cc1cc(C[NH2+]Cc2nc(C3CC3)cs2)ccc1C#N ZINC000443999746 393782387 /nfs/dbraw/zinc/78/23/87/393782387.db2.gz BYSYHUHVKQKUEF-UHFFFAOYSA-N 1 1 283.400 3.490 20 30 CGEDMO C[C@H](NCC[N@@H+]1CCCC(C)(C)C1)c1ccc(C#N)cc1 ZINC000447570585 393864998 /nfs/dbraw/zinc/86/49/98/393864998.db2.gz UTAAMVSERDNDIW-HNNXBMFYSA-N 1 1 285.435 3.331 20 30 CGEDMO C[C@H](NCC[N@H+]1CCCC(C)(C)C1)c1ccc(C#N)cc1 ZINC000447570585 393864999 /nfs/dbraw/zinc/86/49/99/393864999.db2.gz UTAAMVSERDNDIW-HNNXBMFYSA-N 1 1 285.435 3.331 20 30 CGEDMO C=CC[NH+](CC=C)[C@H](CNCc1ccncc1F)C(C)C ZINC000449075046 393874851 /nfs/dbraw/zinc/87/48/51/393874851.db2.gz MEMMRNHQSZTEGH-QGZVFWFLSA-N 1 1 291.414 3.009 20 30 CGEDMO CC(C)[C@@H]1[C@@H](C(C)C)C[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000449559802 393902728 /nfs/dbraw/zinc/90/27/28/393902728.db2.gz ZEXBDQVTWAPCGR-SJLPKXTDSA-N 1 1 296.418 3.318 20 30 CGEDMO C=CCOc1cccc(CN[C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666999488 542834569 /nfs/dbraw/zinc/83/45/69/542834569.db2.gz NMROTBXQTQWJAX-INIZCTEOSA-N 1 1 286.419 3.016 20 30 CGEDMO Cc1cc(C#N)cc(NC(=O)CC[N@@H+]2CCCC[C@H]2C)c1 ZINC000456973038 394303572 /nfs/dbraw/zinc/30/35/72/394303572.db2.gz VVXXRFKKEBWFKH-CQSZACIVSA-N 1 1 285.391 3.070 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cn3cccc(F)c3n2)C1 ZINC000668493436 543020982 /nfs/dbraw/zinc/02/09/82/543020982.db2.gz NRMHWNBXCDSTCM-ZDUSSCGKSA-N 1 1 273.355 3.262 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2ccccc2-n2cncn2)C1 ZINC000668493359 543020294 /nfs/dbraw/zinc/02/02/94/543020294.db2.gz NGNFOTAFRGDTEE-HNNXBMFYSA-N 1 1 282.391 3.055 20 30 CGEDMO CCC#C[C@H](C)[NH+]1CCN(c2cncc3ccccc32)CC1 ZINC000670089835 543141310 /nfs/dbraw/zinc/14/13/10/543141310.db2.gz RQUPCDZUNNAKGO-INIZCTEOSA-N 1 1 293.414 3.159 20 30 CGEDMO C=CCC[C@@H](CC)[NH2+]CCc1ccc2cn[nH]c2c1 ZINC000671301578 543168092 /nfs/dbraw/zinc/16/80/92/543168092.db2.gz PRIAMGDOJVUKKE-OAHLLOKOSA-N 1 1 257.381 3.440 20 30 CGEDMO C=C(C)[C@@H](CO)[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000671715840 543179824 /nfs/dbraw/zinc/17/98/24/543179824.db2.gz QRRQPDVGUUYUMF-UONOGXRCSA-N 1 1 251.757 3.024 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000671715840 543179825 /nfs/dbraw/zinc/17/98/25/543179825.db2.gz QRRQPDVGUUYUMF-UONOGXRCSA-N 1 1 251.757 3.024 20 30 CGEDMO CCOC(=O)CCCCC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000117872759 397655721 /nfs/dbraw/zinc/65/57/21/397655721.db2.gz HMVHWGZJYVFVFU-UHFFFAOYSA-N 1 1 288.391 3.114 20 30 CGEDMO C=CCC1(C(=O)NCCC[N@H+](C)CC(C)C)CCCC1 ZINC000650182428 397798146 /nfs/dbraw/zinc/79/81/46/397798146.db2.gz FOCICROYXTWRAY-UHFFFAOYSA-N 1 1 280.456 3.217 20 30 CGEDMO CC[N@@H+](CC#Cc1ccccc1Cl)C[C@@H]1CCOC1 ZINC000676714524 543412357 /nfs/dbraw/zinc/41/23/57/543412357.db2.gz LZCKZUHEFFEUKI-AWEZNQCLSA-N 1 1 277.795 3.050 20 30 CGEDMO Clc1cccc(C#CC[N@H+]2CCC[C@H](n3ccnc3)C2)c1 ZINC000676558732 543405085 /nfs/dbraw/zinc/40/50/85/543405085.db2.gz QIBFCPBYICHBTM-KRWDZBQOSA-N 1 1 299.805 3.225 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000677047055 543427690 /nfs/dbraw/zinc/42/76/90/543427690.db2.gz QALZLSJTWBOJGC-MRXNPFEDSA-N 1 1 288.410 3.135 20 30 CGEDMO CCC#C[C@@H](C)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000677047055 543427693 /nfs/dbraw/zinc/42/76/93/543427693.db2.gz QALZLSJTWBOJGC-MRXNPFEDSA-N 1 1 288.410 3.135 20 30 CGEDMO CCC#C[C@@H](C)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000677047055 543427695 /nfs/dbraw/zinc/42/76/95/543427695.db2.gz QALZLSJTWBOJGC-MRXNPFEDSA-N 1 1 288.410 3.135 20 30 CGEDMO Clc1ccccc1C#CC[NH+]1CCC2(CCOC2)CC1 ZINC000677720396 543460149 /nfs/dbraw/zinc/46/01/49/543460149.db2.gz VYEQMWDDZHYOND-UHFFFAOYSA-N 1 1 289.806 3.194 20 30 CGEDMO FC(F)[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000677736174 543462776 /nfs/dbraw/zinc/46/27/76/543462776.db2.gz YNTNMPAAAJYSLP-LBPRGKRZSA-N 1 1 269.722 3.279 20 30 CGEDMO COc1ccc(-c2n[nH]cc2C[N@H+](C)CC(C)(C)C#N)cc1 ZINC000354018354 286264390 /nfs/dbraw/zinc/26/43/90/286264390.db2.gz POQBEFUOEJJATP-UHFFFAOYSA-N 1 1 298.390 3.067 20 30 CGEDMO COc1ccc(-c2n[nH]cc2C[N@@H+](C)CC(C)(C)C#N)cc1 ZINC000354018354 286264391 /nfs/dbraw/zinc/26/43/91/286264391.db2.gz POQBEFUOEJJATP-UHFFFAOYSA-N 1 1 298.390 3.067 20 30 CGEDMO CC[N@@H+](CCNc1cc(Cl)ccc1C#N)C1CC1 ZINC000080984590 165161746 /nfs/dbraw/zinc/16/17/46/165161746.db2.gz KAKIPZTYYNJSHI-UHFFFAOYSA-N 1 1 263.772 3.108 20 30 CGEDMO CC[C@H](CSC)[N@@H+](C)Cc1ccc(C#N)cc1OC ZINC000091098630 165257773 /nfs/dbraw/zinc/25/77/73/165257773.db2.gz FOIOYAICJSSXJJ-CQSZACIVSA-N 1 1 278.421 3.140 20 30 CGEDMO CC[C@H](CSC)[N@@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000091098255 165258117 /nfs/dbraw/zinc/25/81/17/165258117.db2.gz LFWIMZVSBRAFAK-CQSZACIVSA-N 1 1 278.421 3.140 20 30 CGEDMO CC[N@@H+](C[C@H](O)C(C)(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000284257028 196013451 /nfs/dbraw/zinc/01/34/51/196013451.db2.gz LVZFCOBUPIRWIB-BBRMVZONSA-N 1 1 274.408 3.348 20 30 CGEDMO CC(C)N(CC[NH2+][C@@H](C)c1cccc(C#N)c1)C(C)C ZINC000037188747 173019268 /nfs/dbraw/zinc/01/92/68/173019268.db2.gz LQKYYEDGOQETOH-HNNXBMFYSA-N 1 1 273.424 3.328 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000048617433 416455870 /nfs/dbraw/zinc/45/58/70/416455870.db2.gz QAZSHBWAGQHEKX-ZDUSSCGKSA-N 1 1 294.826 3.415 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCCc3ccccc3CC2)C1 ZINC000334634324 225180909 /nfs/dbraw/zinc/18/09/09/225180909.db2.gz DHZXBMMWFVETRD-RHSMWYFYSA-N 1 1 254.377 3.170 20 30 CGEDMO N#CC1(C[N@@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)CC1 ZINC000334644996 225237277 /nfs/dbraw/zinc/23/72/77/225237277.db2.gz SZEUTRMZGBLMJT-MRXNPFEDSA-N 1 1 282.387 3.144 20 30 CGEDMO N#CC1(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)CC1 ZINC000334644996 225237278 /nfs/dbraw/zinc/23/72/78/225237278.db2.gz SZEUTRMZGBLMJT-MRXNPFEDSA-N 1 1 282.387 3.144 20 30 CGEDMO C=C(C)CC[N@H+](Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000681410678 543787663 /nfs/dbraw/zinc/78/76/63/543787663.db2.gz UPVFJWIXYBGHEV-CQSZACIVSA-N 1 1 287.325 3.378 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000131346060 287376635 /nfs/dbraw/zinc/37/66/35/287376635.db2.gz NJJVFDUJFIBQCS-OAHLLOKOSA-N 1 1 272.392 3.435 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](CCC3CC3)CC2)cc1 ZINC000347962605 226389526 /nfs/dbraw/zinc/38/95/26/226389526.db2.gz UJAOJGFYYAQECZ-UHFFFAOYSA-N 1 1 252.361 3.447 20 30 CGEDMO C#CC[N@@H+](CC1CCOCC1)[C@@H]1CCc2ccccc21 ZINC000171824646 335081481 /nfs/dbraw/zinc/08/14/81/335081481.db2.gz ASSPRYYPDKPXLS-GOSISDBHSA-N 1 1 269.388 3.036 20 30 CGEDMO Cc1ccccc1[C@@H]([C@H](C)[NH2+]Cc1ccc(C#N)o1)N(C)C ZINC000443008756 227306823 /nfs/dbraw/zinc/30/68/23/227306823.db2.gz HDWCJMLLROSHLG-KBXCAEBGSA-N 1 1 297.402 3.241 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CCC[C@@H]2CC(C)(C)C)nn1 ZINC000653525161 419042905 /nfs/dbraw/zinc/04/29/05/419042905.db2.gz CTSCDOYMANOLEE-OAHLLOKOSA-N 1 1 276.428 3.255 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@@H](C)c2cc(C)sc2C)nn1 ZINC000653600838 419057481 /nfs/dbraw/zinc/05/74/81/419057481.db2.gz VJVCJMWIBMLPRS-LBPRGKRZSA-N 1 1 290.436 3.383 20 30 CGEDMO C=CC[C@@H]1[N@@H+](CCN2C[C@@H](C)O[C@@H](C)C2)CCCC1(C)C ZINC000660422253 419142027 /nfs/dbraw/zinc/14/20/27/419142027.db2.gz CPAQATHTNFPOKR-BBWFWOEESA-N 1 1 294.483 3.162 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@H](C)c2nnc(C)s2)C1 ZINC000661383351 419255031 /nfs/dbraw/zinc/25/50/31/419255031.db2.gz CKLDGZHACGKCPI-PWSUYJOCSA-N 1 1 251.399 3.196 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C)cc2F)C1 ZINC000661378943 419255309 /nfs/dbraw/zinc/25/53/09/419255309.db2.gz OXPXTGLYCVPFFT-CQSZACIVSA-N 1 1 290.382 3.361 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C)cc2F)C1 ZINC000661378943 419255312 /nfs/dbraw/zinc/25/53/12/419255312.db2.gz OXPXTGLYCVPFFT-CQSZACIVSA-N 1 1 290.382 3.361 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@H](C)c2nnnn2-c2ccccc2)C1 ZINC000661379154 419255983 /nfs/dbraw/zinc/25/59/83/419255983.db2.gz VFZABCHZLSIIBT-CABCVRRESA-N 1 1 297.406 3.011 20 30 CGEDMO C=CCCCCCN(C)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000661506769 419267616 /nfs/dbraw/zinc/26/76/16/419267616.db2.gz PBLZDZBFIHWRDH-OAHLLOKOSA-N 1 1 295.471 3.247 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2C)nn1 ZINC000657421336 419274293 /nfs/dbraw/zinc/27/42/93/419274293.db2.gz LWASUNYSVLPWGC-KDOFPFPSSA-N 1 1 296.418 3.267 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2C)nn1 ZINC000657421337 419274309 /nfs/dbraw/zinc/27/43/09/419274309.db2.gz LWASUNYSVLPWGC-KSSFIOAISA-N 1 1 296.418 3.267 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2C)nn1 ZINC000657421335 419274441 /nfs/dbraw/zinc/27/44/41/419274441.db2.gz LWASUNYSVLPWGC-KBXCAEBGSA-N 1 1 296.418 3.267 20 30 CGEDMO C=CCCCC[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000661666354 419284629 /nfs/dbraw/zinc/28/46/29/419284629.db2.gz CHQCLWHFVZRVTE-ZWKOTPCHSA-N 1 1 273.420 3.441 20 30 CGEDMO C=CC[N@H+](CC(=O)N(C)[C@@H](C)c1ccccc1)C(C)(C)C ZINC000661755697 419295402 /nfs/dbraw/zinc/29/54/02/419295402.db2.gz OUBHOCFXUXIFFI-HNNXBMFYSA-N 1 1 288.435 3.493 20 30 CGEDMO C=CC[N@@H+](C[C@H]1CN(c2ccccc2)CCO1)C(C)(C)C ZINC000661758248 419295673 /nfs/dbraw/zinc/29/56/73/419295673.db2.gz QEDDKBOPDUAIOB-QGZVFWFLSA-N 1 1 288.435 3.178 20 30 CGEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000661967132 419317032 /nfs/dbraw/zinc/31/70/32/419317032.db2.gz BQKRCGAVAKYOIK-ZIAGYGMSSA-N 1 1 295.304 3.279 20 30 CGEDMO CSCC[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356120606 228129283 /nfs/dbraw/zinc/12/92/83/228129283.db2.gz HVSBVNPARBVQLO-UHFFFAOYSA-N 1 1 288.338 3.372 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccc2c(c1)CCC2 ZINC000662078114 419332578 /nfs/dbraw/zinc/33/25/78/419332578.db2.gz AVXZQWUXRBKEBO-HDICACEKSA-N 1 1 296.414 3.297 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NCCC1=CCCCC1 ZINC000662081545 419333961 /nfs/dbraw/zinc/33/39/61/419333961.db2.gz UQRPEHOGOPELMR-CALCHBBNSA-N 1 1 288.435 3.176 20 30 CGEDMO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000658029966 419505674 /nfs/dbraw/zinc/50/56/74/419505674.db2.gz UFAFCMSQRWRXSF-ZCRFILTFSA-N 1 1 262.441 3.336 20 30 CGEDMO C=CCC[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1 ZINC000658112884 419587903 /nfs/dbraw/zinc/58/79/03/419587903.db2.gz AHAPQJLYUGGELR-INIZCTEOSA-N 1 1 272.436 3.248 20 30 CGEDMO C=CCCC(C)(C)NC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000664002365 419793322 /nfs/dbraw/zinc/79/33/22/419793322.db2.gz YOZWAPUCOAQGIH-HNNXBMFYSA-N 1 1 295.471 3.151 20 30 CGEDMO C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(CC)cc2)CC1 ZINC000106246157 260095386 /nfs/dbraw/zinc/09/53/86/260095386.db2.gz YCFDHFVJEUHPJE-UHFFFAOYSA-N 1 1 272.436 3.379 20 30 CGEDMO C=CCCC(=O)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000363349190 260113758 /nfs/dbraw/zinc/11/37/58/260113758.db2.gz NWTIPSVBAWNXME-INIZCTEOSA-N 1 1 286.419 3.076 20 30 CGEDMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCCCC#N ZINC000066851503 260249225 /nfs/dbraw/zinc/24/92/25/260249225.db2.gz OKRNJQKEQWGZDJ-GDBMZVCRSA-N 1 1 258.365 3.142 20 30 CGEDMO N#CCC[N@@H+](Cc1ccc(OC(F)F)cc1)CC1CC1 ZINC000081044011 260329481 /nfs/dbraw/zinc/32/94/81/260329481.db2.gz NWRNLVQRCJFGHD-UHFFFAOYSA-N 1 1 280.318 3.414 20 30 CGEDMO N#CCC[N@H+](Cc1ccc(OC(F)F)cc1)CC1CC1 ZINC000081044011 260329483 /nfs/dbraw/zinc/32/94/83/260329483.db2.gz NWRNLVQRCJFGHD-UHFFFAOYSA-N 1 1 280.318 3.414 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000086585981 260395009 /nfs/dbraw/zinc/39/50/09/260395009.db2.gz BFWTUTNSDOFKQH-LLVKDONJSA-N 1 1 252.745 3.130 20 30 CGEDMO CC(C)(C)[C@@H]1C[N@@H+](CC(C)(C)CCC#N)CCO1 ZINC000448364078 261128016 /nfs/dbraw/zinc/12/80/16/261128016.db2.gz SNMVDWPIIOQKBJ-ZDUSSCGKSA-N 1 1 252.402 3.063 20 30 CGEDMO C=CC[N@@H+](CCOC)Cc1cc(C(F)(F)F)ccc1F ZINC000361642678 261365700 /nfs/dbraw/zinc/36/57/00/261365700.db2.gz JYUSQYAHOYSNHV-UHFFFAOYSA-N 1 1 291.288 3.479 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cc(C(F)(F)F)ccc1F ZINC000361642678 261365701 /nfs/dbraw/zinc/36/57/01/261365701.db2.gz JYUSQYAHOYSNHV-UHFFFAOYSA-N 1 1 291.288 3.479 20 30 CGEDMO Cc1cc(C)c2c(c1)C[N@H+](CCCSCC#N)CC2 ZINC000186718028 262106443 /nfs/dbraw/zinc/10/64/43/262106443.db2.gz ITPGPRLPNUKLPI-UHFFFAOYSA-N 1 1 274.433 3.308 20 30 CGEDMO N#C[C@H]1CCC[C@H]([NH2+]Cc2nnc(-c3ccccc3)s2)C1 ZINC000193020840 262214380 /nfs/dbraw/zinc/21/43/80/262214380.db2.gz ZJAXEGRIHSDFHK-JSGCOSHPSA-N 1 1 298.415 3.377 20 30 CGEDMO C[C@H]1C[C@@H]([N@@H+](C)CCCCC(C)(C)C#N)CCN1C ZINC000336806215 262395654 /nfs/dbraw/zinc/39/56/54/262395654.db2.gz LGKYUELFGUKIFX-GJZGRUSLSA-N 1 1 265.445 3.121 20 30 CGEDMO C=CC[N@H+](Cc1ccnc(N)c1)CC1CCCCC1 ZINC000411252643 262685769 /nfs/dbraw/zinc/68/57/69/262685769.db2.gz BSJGSDNGARLWAJ-UHFFFAOYSA-N 1 1 259.397 3.062 20 30 CGEDMO C[C@@H](c1cnn(C)c1)[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000411495396 262696688 /nfs/dbraw/zinc/69/66/88/262696688.db2.gz KVXAHJZHJZGHJS-AWEZNQCLSA-N 1 1 274.412 3.277 20 30 CGEDMO C[N@@H+](CCC1(C#N)CCCCC1)[C@@H]1CCCC[C@H]1O ZINC000411573482 262699665 /nfs/dbraw/zinc/69/96/65/262699665.db2.gz SFTFGTOHSUSWIS-HUUCEWRRSA-N 1 1 264.413 3.086 20 30 CGEDMO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C)(C#N)CC2)cc1C ZINC000272614157 263007731 /nfs/dbraw/zinc/00/77/31/263007731.db2.gz SWKNCVYODXKRCM-HNNXBMFYSA-N 1 1 299.418 3.256 20 30 CGEDMO N#CCCC[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000273040303 263011410 /nfs/dbraw/zinc/01/14/10/263011410.db2.gz IEUAUFDKHZUDPX-UHFFFAOYSA-N 1 1 263.391 3.265 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000276513663 263037130 /nfs/dbraw/zinc/03/71/30/263037130.db2.gz XWPRIIUDDOAEJG-UHFFFAOYSA-N 1 1 299.418 3.058 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000366594614 263067998 /nfs/dbraw/zinc/06/79/98/263067998.db2.gz SQVMTSATKSNIOE-HZPDHXFCSA-N 1 1 267.413 3.003 20 30 CGEDMO Cn1c2ccccc2[nH+]c1NCC1CCC(C#N)CC1 ZINC000281680572 263071121 /nfs/dbraw/zinc/07/11/21/263071121.db2.gz QRNLBXHHUFEANS-UHFFFAOYSA-N 1 1 268.364 3.315 20 30 CGEDMO CC(C)COC[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccco1 ZINC000282071548 263073980 /nfs/dbraw/zinc/07/39/80/263073980.db2.gz WVUFVRFPOFBGDY-KFWWJZLASA-N 1 1 276.380 3.275 20 30 CGEDMO C[C@H](c1ccco1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000282076573 263074269 /nfs/dbraw/zinc/07/42/69/263074269.db2.gz TZRVALTYWGOWAE-CQSZACIVSA-N 1 1 276.380 3.373 20 30 CGEDMO N#CCSCCC[N@H+]1CCC=C(c2ccccc2)C1 ZINC000283934157 263085092 /nfs/dbraw/zinc/08/50/92/263085092.db2.gz AZADOFWDXRKYRW-UHFFFAOYSA-N 1 1 272.417 3.423 20 30 CGEDMO CC(C)[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@@H]1CCOC1 ZINC000291662721 263124638 /nfs/dbraw/zinc/12/46/38/263124638.db2.gz FXMJJRKKTWLWDR-MRXNPFEDSA-N 1 1 286.419 3.487 20 30 CGEDMO CC(C)[N@@H+](CCOCCC#N)Cc1cccc(Cl)c1 ZINC000293676505 263146640 /nfs/dbraw/zinc/14/66/40/263146640.db2.gz ZVVWQHPXVFEDFI-UHFFFAOYSA-N 1 1 280.799 3.481 20 30 CGEDMO CCc1ccc([C@H]2C[N@@H+]([C@H](C)CCC#N)CCO2)cc1 ZINC000298656812 263223519 /nfs/dbraw/zinc/22/35/19/263223519.db2.gz XTSYGLMMDLNNLX-RHSMWYFYSA-N 1 1 272.392 3.315 20 30 CGEDMO CCc1ccc([C@H]2C[N@H+]([C@H](C)CCC#N)CCO2)cc1 ZINC000298656812 263223521 /nfs/dbraw/zinc/22/35/21/263223521.db2.gz XTSYGLMMDLNNLX-RHSMWYFYSA-N 1 1 272.392 3.315 20 30 CGEDMO C[C@@H]([NH2+]CCC#N)c1ccc(-c2cccnc2)cc1 ZINC000299019783 263229219 /nfs/dbraw/zinc/22/92/19/263229219.db2.gz RCHXSVBJRLKFDX-CYBMUJFWSA-N 1 1 251.333 3.313 20 30 CGEDMO CCC[N@@H+](CCc1cccs1)C[C@H](C#N)CCC#N ZINC000299188237 263234407 /nfs/dbraw/zinc/23/44/07/263234407.db2.gz CEZUDRQFUWZNTN-AWEZNQCLSA-N 1 1 275.421 3.446 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000340893502 263312579 /nfs/dbraw/zinc/31/25/79/263312579.db2.gz KXVQCDSHWSKCQS-NWDGAFQWSA-N 1 1 265.319 3.120 20 30 CGEDMO C=CC[N@H+](CCSCC)Cc1ccc(OC)cc1 ZINC000340947926 263313608 /nfs/dbraw/zinc/31/36/08/263313608.db2.gz JFRHWURHIRSOCO-UHFFFAOYSA-N 1 1 265.422 3.436 20 30 CGEDMO C=CC[C@H](CC)NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000341646606 263345687 /nfs/dbraw/zinc/34/56/87/263345687.db2.gz HSLPJRRPFDFWGF-GJZGRUSLSA-N 1 1 294.826 3.414 20 30 CGEDMO C=C1CC[NH+](CC(=O)N(C)[C@H]2CCCc3ccccc32)CC1 ZINC000341986079 263380929 /nfs/dbraw/zinc/38/09/29/263380929.db2.gz UEPWRXBBISFMQI-SFHVURJKSA-N 1 1 298.430 3.174 20 30 CGEDMO C=C1CC[NH+]([C@H](C)C(=O)N(CC)Cc2ccccc2)CC1 ZINC000342176930 263392077 /nfs/dbraw/zinc/39/20/77/263392077.db2.gz LDCXQQKCJZECKA-MRXNPFEDSA-N 1 1 286.419 3.076 20 30 CGEDMO CCc1nc(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)co1 ZINC000330844039 264066446 /nfs/dbraw/zinc/06/64/46/264066446.db2.gz OEMQKFVIMZOLLC-LBPRGKRZSA-N 1 1 293.411 3.052 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)C[C@@H](OC)C1CC1 ZINC000425397848 264276856 /nfs/dbraw/zinc/27/68/56/264276856.db2.gz MTABGIXOTWQJPN-QGZVFWFLSA-N 1 1 259.393 3.142 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCN(C(C)(C)C)C1=O ZINC000425413968 264292088 /nfs/dbraw/zinc/29/20/88/264292088.db2.gz FHOYAUGXYBJRMR-AWEZNQCLSA-N 1 1 266.429 3.064 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)C[C@@H](O)C1CCCCC1 ZINC000475328504 264304994 /nfs/dbraw/zinc/30/49/94/264304994.db2.gz CGNWQRLVNKWYQH-QGZVFWFLSA-N 1 1 277.408 3.251 20 30 CGEDMO CO[C@H](C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1)C1CC1 ZINC000425422927 264312483 /nfs/dbraw/zinc/31/24/83/264312483.db2.gz SVKZSINZDMAFLA-KZNAEPCWSA-N 1 1 284.403 3.183 20 30 CGEDMO C=CCCC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000076734016 264342720 /nfs/dbraw/zinc/34/27/20/264342720.db2.gz YBMVJLGEDQZGPT-CYBMUJFWSA-N 1 1 288.391 3.114 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000076734016 264342721 /nfs/dbraw/zinc/34/27/21/264342721.db2.gz YBMVJLGEDQZGPT-CYBMUJFWSA-N 1 1 288.391 3.114 20 30 CGEDMO N#Cc1ccccc1C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000191658900 270075804 /nfs/dbraw/zinc/07/58/04/270075804.db2.gz UYKJWVGDAIZULS-QGZVFWFLSA-N 1 1 278.355 3.431 20 30 CGEDMO C=C[C@H](CC(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1ccccc1 ZINC000356780832 266173996 /nfs/dbraw/zinc/17/39/96/266173996.db2.gz SOKLHTUZCXPRPZ-JKSUJKDBSA-N 1 1 288.435 3.191 20 30 CGEDMO COC(=O)C1([NH2+]CCCC(C)(C)C#N)CCC(C)CC1 ZINC000357000248 266229237 /nfs/dbraw/zinc/22/92/37/266229237.db2.gz DBXIRWQJRHZSGY-UHFFFAOYSA-N 1 1 280.412 3.028 20 30 CGEDMO CC(C)N(CC[N@H+](C)CC(C)(C)CCC#N)C(C)C ZINC000357012153 266231937 /nfs/dbraw/zinc/23/19/37/266231937.db2.gz OSUIXOMTWJUECV-UHFFFAOYSA-N 1 1 267.461 3.367 20 30 CGEDMO CC(C)N(CC[N@@H+](C)CC(C)(C)CCC#N)C(C)C ZINC000357012153 266231939 /nfs/dbraw/zinc/23/19/39/266231939.db2.gz OSUIXOMTWJUECV-UHFFFAOYSA-N 1 1 267.461 3.367 20 30 CGEDMO C=CCC1(C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)CCC1 ZINC000358497071 266469490 /nfs/dbraw/zinc/46/94/90/266469490.db2.gz NTKUKAZXZRNLII-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO CC(C)(C#N)CCC[N@@H+](CCO)CC1CCCCC1 ZINC000362586359 267012113 /nfs/dbraw/zinc/01/21/13/267012113.db2.gz GUPXVFROTDRCJQ-UHFFFAOYSA-N 1 1 266.429 3.191 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)Cc1ccc(OC)nc1 ZINC000362858098 267055017 /nfs/dbraw/zinc/05/50/17/267055017.db2.gz ZZYPGRUTPYLBFA-UHFFFAOYSA-N 1 1 268.360 3.278 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(OC)nc1 ZINC000362858098 267055019 /nfs/dbraw/zinc/05/50/19/267055019.db2.gz ZZYPGRUTPYLBFA-UHFFFAOYSA-N 1 1 268.360 3.278 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1CCC(C)C ZINC000362959186 267067663 /nfs/dbraw/zinc/06/76/63/267067663.db2.gz VPIOUGFUFUOGOL-INIZCTEOSA-N 1 1 278.440 3.088 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000368070367 267143397 /nfs/dbraw/zinc/14/33/97/267143397.db2.gz CPSPWWVMSSHDKS-KGLIPLIRSA-N 1 1 264.413 3.206 20 30 CGEDMO N#Cc1cc(F)c(NC[C@@H]2CC[N@H+]2C2CCCC2)c(F)c1 ZINC000528210984 270158116 /nfs/dbraw/zinc/15/81/16/270158116.db2.gz RGXIWZOEMJOOIY-ZDUSSCGKSA-N 1 1 291.345 3.265 20 30 CGEDMO CC[C@@H](CC#N)N[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000368625701 267192373 /nfs/dbraw/zinc/19/23/73/267192373.db2.gz QRXCOJBVIBTWFQ-DLBZAZTESA-N 1 1 285.435 3.321 20 30 CGEDMO CC[C@@H](CC#N)[NH2+][C@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000368625701 267192375 /nfs/dbraw/zinc/19/23/75/267192375.db2.gz QRXCOJBVIBTWFQ-DLBZAZTESA-N 1 1 285.435 3.321 20 30 CGEDMO CC[C@H]([NH2+]Cc1ncccc1F)c1ccc(C#N)cc1 ZINC000530418801 267221261 /nfs/dbraw/zinc/22/12/61/267221261.db2.gz UGBJXZKMHDHRCA-HNNXBMFYSA-N 1 1 269.323 3.333 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](CC)O[C@@]2(CCOC2)C1 ZINC000369534150 267248992 /nfs/dbraw/zinc/24/89/92/267248992.db2.gz YIMHBZNHNIQYDW-CVEARBPZSA-N 1 1 267.413 3.003 20 30 CGEDMO CC(C)(O)[C@@H]1CCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000118992799 267284333 /nfs/dbraw/zinc/28/43/33/267284333.db2.gz YMGIBAREEZEXSA-INIZCTEOSA-N 1 1 286.419 3.223 20 30 CGEDMO CC(C)(O)[C@H]1CCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000118992700 267284366 /nfs/dbraw/zinc/28/43/66/267284366.db2.gz YMGIBAREEZEXSA-MRXNPFEDSA-N 1 1 286.419 3.223 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000370442183 267319681 /nfs/dbraw/zinc/31/96/81/267319681.db2.gz RPKOCACRSYHWQX-UHFFFAOYSA-N 1 1 284.403 3.233 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000370442183 267319683 /nfs/dbraw/zinc/31/96/83/267319683.db2.gz RPKOCACRSYHWQX-UHFFFAOYSA-N 1 1 284.403 3.233 20 30 CGEDMO N#CC1(C[NH2+]Cc2cccc(C(F)(F)F)c2)CCC1 ZINC000418141842 267363167 /nfs/dbraw/zinc/36/31/67/267363167.db2.gz MBUMPAMJCARFMA-UHFFFAOYSA-N 1 1 268.282 3.489 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccccc2C(F)(F)F)CCC1 ZINC000418144316 267365756 /nfs/dbraw/zinc/36/57/56/267365756.db2.gz SORRDGVIEAXXJX-UHFFFAOYSA-N 1 1 268.282 3.489 20 30 CGEDMO C#CCC[N@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000371208165 267370262 /nfs/dbraw/zinc/37/02/62/267370262.db2.gz NSTIYWKZMHBHHK-AWEZNQCLSA-N 1 1 254.333 3.378 20 30 CGEDMO C[C@H]1CC(F)(F)CC[N@@H+]1Cc1ccccc1C#N ZINC000528766248 270171775 /nfs/dbraw/zinc/17/17/75/270171775.db2.gz JTDJSNQDBXSWCQ-NSHDSACASA-N 1 1 250.292 3.178 20 30 CGEDMO C[C@H]1CC(F)(F)CC[N@H+]1Cc1ccccc1C#N ZINC000528766248 270171776 /nfs/dbraw/zinc/17/17/76/270171776.db2.gz JTDJSNQDBXSWCQ-NSHDSACASA-N 1 1 250.292 3.178 20 30 CGEDMO C[C@H]1CC(F)(F)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000528767054 270172104 /nfs/dbraw/zinc/17/21/04/270172104.db2.gz KWKABJOHXGKHPS-NSHDSACASA-N 1 1 250.292 3.178 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000374624079 267804562 /nfs/dbraw/zinc/80/45/62/267804562.db2.gz YAVGNMHFNFSZNC-AWEZNQCLSA-N 1 1 292.427 3.061 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375431812 267859659 /nfs/dbraw/zinc/85/96/59/267859659.db2.gz SOIMRVCSFHYNPD-ZDUSSCGKSA-N 1 1 288.395 3.066 20 30 CGEDMO C=CC[C@@H](C(=O)N1CCC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000376340899 267964145 /nfs/dbraw/zinc/96/41/45/267964145.db2.gz MTGIYINERBPCAD-ZWKOTPCHSA-N 1 1 298.430 3.043 20 30 CGEDMO Cc1ccc(C#N)c(NC[C@H]2CC[N@H+]2C2CCCCC2)n1 ZINC000528117355 268028943 /nfs/dbraw/zinc/02/89/43/268028943.db2.gz YOVBVLXANRPNQN-MRXNPFEDSA-N 1 1 284.407 3.081 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ccc(C#N)cn2)C1 ZINC000265099232 274286577 /nfs/dbraw/zinc/28/65/77/274286577.db2.gz XBOOWKSDVGUOQC-NVXWUHKLSA-N 1 1 298.434 3.044 20 30 CGEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)cc2)C12CCC2 ZINC000120918752 276364504 /nfs/dbraw/zinc/36/45/04/276364504.db2.gz YMKUQGRPGBHLOE-IRXDYDNUSA-N 1 1 284.403 3.338 20 30 CGEDMO COc1cccc2c1CC[N@@H+](Cc1ccc(C#N)s1)CC2 ZINC000194571530 278029373 /nfs/dbraw/zinc/02/93/73/278029373.db2.gz DAWXFPFFRNLBER-UHFFFAOYSA-N 1 1 298.411 3.229 20 30 CGEDMO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1nccs1 ZINC000080267866 278268549 /nfs/dbraw/zinc/26/85/49/278268549.db2.gz NOQSZUMNDDKSOM-QWRGUYRKSA-N 1 1 257.362 3.427 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000429004690 278306038 /nfs/dbraw/zinc/30/60/38/278306038.db2.gz IYCQMSHCJZPIPW-YYAJDYIMSA-N 1 1 297.446 3.281 20 30 CGEDMO C[C@H]1CC(C)(C)C[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000412045122 278324242 /nfs/dbraw/zinc/32/42/42/278324242.db2.gz PBQYKDSIBQZYTA-NSHDSACASA-N 1 1 273.336 3.087 20 30 CGEDMO C[C@H]1CC(C)(C)C[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000412045122 278324245 /nfs/dbraw/zinc/32/42/45/278324245.db2.gz PBQYKDSIBQZYTA-NSHDSACASA-N 1 1 273.336 3.087 20 30 CGEDMO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ncc[nH]1 ZINC000334904717 278383176 /nfs/dbraw/zinc/38/31/76/278383176.db2.gz GXKRFYGWIJXBIX-ABAIWWIYSA-N 1 1 266.348 3.010 20 30 CGEDMO C[C@]1([NH2+]Cc2nc(C#N)cs2)CCCc2ccccc21 ZINC000336007267 280168093 /nfs/dbraw/zinc/16/80/93/280168093.db2.gz QXKOZQDVVJUHIY-INIZCTEOSA-N 1 1 283.400 3.356 20 30 CGEDMO CC(C)COC[C@H]([NH2+][C@@H](C)CCC#N)c1ccco1 ZINC000278899688 328231943 /nfs/dbraw/zinc/23/19/43/328231943.db2.gz ISPWQLXICZODIR-KBPBESRZSA-N 1 1 264.369 3.275 20 30 CGEDMO CN(C)CC[N@@H+](Cc1cccs1)CC(C)(C)CCC#N ZINC000289562153 328255446 /nfs/dbraw/zinc/25/54/46/328255446.db2.gz YSPPETVNMIGSCY-UHFFFAOYSA-N 1 1 293.480 3.442 20 30 CGEDMO C[NH+](C)CCN(Cc1cccs1)CC(C)(C)CCC#N ZINC000289562153 328255447 /nfs/dbraw/zinc/25/54/47/328255447.db2.gz YSPPETVNMIGSCY-UHFFFAOYSA-N 1 1 293.480 3.442 20 30 CGEDMO CC[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000565049362 322057019 /nfs/dbraw/zinc/05/70/19/322057019.db2.gz PDIRADXJWKTBAB-QWHCGFSZSA-N 1 1 287.363 3.477 20 30 CGEDMO Cc1cc(C[NH2+][C@@H](C)c2cscn2)ccc1C#N ZINC000565432559 322077863 /nfs/dbraw/zinc/07/78/63/322077863.db2.gz OMURNGZXLYCJMX-NSHDSACASA-N 1 1 257.362 3.174 20 30 CGEDMO Cc1ccnc([C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)c1 ZINC000570580558 322277067 /nfs/dbraw/zinc/27/70/67/322277067.db2.gz ZREGNPXKBNJHAL-KRWDZBQOSA-N 1 1 277.371 3.251 20 30 CGEDMO C[C@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000570695406 322280003 /nfs/dbraw/zinc/28/00/03/322280003.db2.gz UQANPJYVGHSHMD-GXFFZTMASA-N 1 1 283.297 3.116 20 30 CGEDMO C[C@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000570695406 322280004 /nfs/dbraw/zinc/28/00/04/322280004.db2.gz UQANPJYVGHSHMD-GXFFZTMASA-N 1 1 283.297 3.116 20 30 CGEDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1ccc(C#N)cn1 ZINC000572375168 322333912 /nfs/dbraw/zinc/33/39/12/322333912.db2.gz JJVRZJZEFSLZIQ-RHSMWYFYSA-N 1 1 277.371 3.331 20 30 CGEDMO CCCC[N@H+](C)C[C@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000572745554 322352869 /nfs/dbraw/zinc/35/28/69/322352869.db2.gz ZPDXENCXLMNFIU-LSDHHAIUSA-N 1 1 273.424 3.329 20 30 CGEDMO CCCC[N@@H+](C)C[C@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000572745554 322352874 /nfs/dbraw/zinc/35/28/74/322352874.db2.gz ZPDXENCXLMNFIU-LSDHHAIUSA-N 1 1 273.424 3.329 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000303577911 328354094 /nfs/dbraw/zinc/35/40/94/328354094.db2.gz OCGPGJCKLGVDFF-GOSISDBHSA-N 1 1 290.451 3.233 20 30 CGEDMO COc1ccccc1C[N@@H+](CCCSCC#N)C1CC1 ZINC000074981971 327122685 /nfs/dbraw/zinc/12/26/85/327122685.db2.gz NWXORVFFHVXBKG-UHFFFAOYSA-N 1 1 290.432 3.306 20 30 CGEDMO COc1ccc2c(c1)CCC[N@@H+]([C@@H]1CC[C@H](C#N)C1)C2 ZINC000559070811 327139952 /nfs/dbraw/zinc/13/99/52/327139952.db2.gz GCQFWECGYUOFPJ-XJKSGUPXSA-N 1 1 270.376 3.136 20 30 CGEDMO C=CCC[N@@H+](Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC000569351567 327157062 /nfs/dbraw/zinc/15/70/62/327157062.db2.gz HREHFXFTDAAIHB-WKILWMFISA-N 1 1 275.392 3.074 20 30 CGEDMO C=CCCC[N@@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000559311299 327157951 /nfs/dbraw/zinc/15/79/51/327157951.db2.gz KFHUWQQHUPBHOM-LBPRGKRZSA-N 1 1 265.319 3.384 20 30 CGEDMO CC#CC[N@@H+](C)Cc1ccc(OCc2ccncc2)cc1 ZINC000559458387 327246388 /nfs/dbraw/zinc/24/63/88/327246388.db2.gz HQEXHBSHJJIBCP-UHFFFAOYSA-N 1 1 280.371 3.116 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)NC1CCCC1 ZINC000150875851 327394548 /nfs/dbraw/zinc/39/45/48/327394548.db2.gz FNACTRGLLMYJRV-CQSZACIVSA-N 1 1 266.429 3.112 20 30 CGEDMO CC[C@H](CC#N)NCc1cccc(C[NH2+][C@H](CC)CC#N)c1 ZINC000569706503 327538728 /nfs/dbraw/zinc/53/87/28/327538728.db2.gz PBKNPOLMNUORJW-QZTJIDSGSA-N 1 1 298.434 3.250 20 30 CGEDMO COCC[C@H]1CCCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000375098166 329000468 /nfs/dbraw/zinc/00/04/68/329000468.db2.gz XGXUYRXZOODMRG-OAHLLOKOSA-N 1 1 266.429 3.455 20 30 CGEDMO C=CCC[C@@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccco1 ZINC000377758530 329028283 /nfs/dbraw/zinc/02/82/83/329028283.db2.gz XGZFWJLITJUXMM-GXTWGEPZSA-N 1 1 271.364 3.157 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000377775879 329029085 /nfs/dbraw/zinc/02/90/85/329029085.db2.gz IDUYWQNMBGFPPY-LSDHHAIUSA-N 1 1 276.424 3.350 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000378520017 329053757 /nfs/dbraw/zinc/05/37/57/329053757.db2.gz MSCIBMDFSXLSPQ-QGZVFWFLSA-N 1 1 290.382 3.049 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000181245961 329227468 /nfs/dbraw/zinc/22/74/68/329227468.db2.gz QTCYHKIYUJWHHR-UONOGXRCSA-N 1 1 292.448 3.308 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@H](C)c1nc(-c2cccs2)no1 ZINC000181263449 329228256 /nfs/dbraw/zinc/22/82/56/329228256.db2.gz DRZJEFUCPCVBBH-SNVBAGLBSA-N 1 1 263.366 3.367 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)c1nc(-c2cccs2)no1 ZINC000181263449 329228258 /nfs/dbraw/zinc/22/82/58/329228258.db2.gz DRZJEFUCPCVBBH-SNVBAGLBSA-N 1 1 263.366 3.367 20 30 CGEDMO C=C(C)C[N@@H+](C)CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000181318451 329231045 /nfs/dbraw/zinc/23/10/45/329231045.db2.gz ZOTFVLHRGRSGCX-QGZVFWFLSA-N 1 1 286.419 3.078 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000185632660 329328368 /nfs/dbraw/zinc/32/83/68/329328368.db2.gz IECJFLYVXGFOPK-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H]2c2ccccn2)ccc1F ZINC000583178223 329340445 /nfs/dbraw/zinc/34/04/45/329340445.db2.gz YEJBICWXIMJAFN-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]2c2ccccn2)ccc1F ZINC000583178223 329340447 /nfs/dbraw/zinc/34/04/47/329340447.db2.gz YEJBICWXIMJAFN-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459774084 329388414 /nfs/dbraw/zinc/38/84/14/329388414.db2.gz VMSRCTJZZDJSND-JKSUJKDBSA-N 1 1 278.440 3.189 20 30 CGEDMO N#CCCC[C@H]([NH2+]Cc1ncccn1)c1ccccc1 ZINC000433017849 330123649 /nfs/dbraw/zinc/12/36/49/330123649.db2.gz AYZDHIWVRRPBDS-HNNXBMFYSA-N 1 1 266.348 3.001 20 30 CGEDMO C=CCC[C@H]([NH2+]CC1(N)C2CC3CC(C2)CC1C3)C1CC1 ZINC000423523763 330209927 /nfs/dbraw/zinc/20/99/27/330209927.db2.gz INNYRXRVDLWGEI-ZOAJIZILSA-N 1 1 288.479 3.474 20 30 CGEDMO C=CC(C)(C)CC[NH2+][C@@H]1CCN(CCCOCC)C[C@H]1C ZINC000527922800 330295982 /nfs/dbraw/zinc/29/59/82/330295982.db2.gz AXPMZZWHAAHRQB-IAGOWNOFSA-N 1 1 296.499 3.315 20 30 CGEDMO C=CCC[C@H]([NH2+]C1CCC(C(F)F)CC1)C(=O)OCC ZINC000449655902 330942280 /nfs/dbraw/zinc/94/22/80/330942280.db2.gz IHASKOZITARFPR-BPCQOVAHSA-N 1 1 289.366 3.298 20 30 CGEDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2CC2(C#N)CCC2)C1 ZINC000450895835 331005631 /nfs/dbraw/zinc/00/56/31/331005631.db2.gz LZTQVYNYXDDETC-QZWWFDLISA-N 1 1 290.451 3.332 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000451877303 331045845 /nfs/dbraw/zinc/04/58/45/331045845.db2.gz IFROBAVAKRGACW-PBHICJAKSA-N 1 1 299.418 3.417 20 30 CGEDMO N#CCCOCC[N@@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000451878015 331046002 /nfs/dbraw/zinc/04/60/02/331046002.db2.gz KZPPPNZSOZCGMJ-INIZCTEOSA-N 1 1 298.390 3.020 20 30 CGEDMO N#CCCOCC[N@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000451878015 331046003 /nfs/dbraw/zinc/04/60/03/331046003.db2.gz KZPPPNZSOZCGMJ-INIZCTEOSA-N 1 1 298.390 3.020 20 30 CGEDMO COC[C@H]1CCC[N@@H+](CCCC(C)(C)C#N)CC1 ZINC000452088536 331053602 /nfs/dbraw/zinc/05/36/02/331053602.db2.gz QEKNTUBJBHYEPU-AWEZNQCLSA-N 1 1 252.402 3.065 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](N(C)CC#Cc2cccc(Cl)c2)C1 ZINC000452124295 331054993 /nfs/dbraw/zinc/05/49/93/331054993.db2.gz WIBWFYJRTHNZNE-QGZVFWFLSA-N 1 1 290.838 3.106 20 30 CGEDMO CC(C)N1CC[C@H]([N@@H+](C)CCCCC(C)(C)C#N)C1 ZINC000452123159 331055059 /nfs/dbraw/zinc/05/50/59/331055059.db2.gz VDAFYEHSEWLEAO-HNNXBMFYSA-N 1 1 265.445 3.121 20 30 CGEDMO CC(C)[N@@H+]1CC[C@H](N(C)CCCCC(C)(C)C#N)C1 ZINC000452123159 331055060 /nfs/dbraw/zinc/05/50/60/331055060.db2.gz VDAFYEHSEWLEAO-HNNXBMFYSA-N 1 1 265.445 3.121 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](N(C)CCCCC(C)(C)C#N)C1 ZINC000452123159 331055061 /nfs/dbraw/zinc/05/50/61/331055061.db2.gz VDAFYEHSEWLEAO-HNNXBMFYSA-N 1 1 265.445 3.121 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1cc(Br)cs1 ZINC000164669266 331278614 /nfs/dbraw/zinc/27/86/14/331278614.db2.gz GOORJXYHFVCXOJ-UHFFFAOYSA-N 1 1 273.199 3.150 20 30 CGEDMO CC#CCC[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459673458 331293537 /nfs/dbraw/zinc/29/35/37/331293537.db2.gz YYXVKMBFDDEYKI-CYBMUJFWSA-N 1 1 289.341 3.081 20 30 CGEDMO CC#CCC[N@@H+](CCc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000462324213 331319722 /nfs/dbraw/zinc/31/97/22/331319722.db2.gz FCLMWAAEMPCHNS-IBGZPJMESA-N 1 1 285.431 3.432 20 30 CGEDMO CC#CCC[N@@H+]1CCN(c2ccccc2)C[C@@H]1CC ZINC000462444948 331322080 /nfs/dbraw/zinc/32/20/80/331322080.db2.gz AUPAYWLTHLIQNU-INIZCTEOSA-N 1 1 256.393 3.001 20 30 CGEDMO C=C(CNC(=O)CCn1cc[nH+]c1C(C)C)c1ccccc1 ZINC000488902223 332032970 /nfs/dbraw/zinc/03/29/70/332032970.db2.gz VAOHZLITCZKUOM-UHFFFAOYSA-N 1 1 297.402 3.226 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H](O)CCc1ccccc1 ZINC000489496641 332056722 /nfs/dbraw/zinc/05/67/22/332056722.db2.gz YWHACRQSDOBMEE-IAGOWNOFSA-N 1 1 259.393 3.021 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@H](COC)c1ccc(Cl)cc1 ZINC000490038041 332077936 /nfs/dbraw/zinc/07/79/36/332077936.db2.gz TYPIWHZDKZQIMN-JKSUJKDBSA-N 1 1 297.826 3.286 20 30 CGEDMO C#C[C@H](C)[N@H+](C)C/C(C)=C\c1ccccc1COC ZINC000491072553 332146859 /nfs/dbraw/zinc/14/68/59/332146859.db2.gz STDGVNFDLMIGQO-SZGZABIGSA-N 1 1 257.377 3.190 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1ccc(-c2ncco2)cc1F ZINC000491340388 332193591 /nfs/dbraw/zinc/19/35/91/332193591.db2.gz XNKLRLZUMAUJEG-UHFFFAOYSA-N 1 1 272.323 3.324 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1ccc(-c2ncco2)cc1F ZINC000491340388 332193592 /nfs/dbraw/zinc/19/35/92/332193592.db2.gz XNKLRLZUMAUJEG-UHFFFAOYSA-N 1 1 272.323 3.324 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(F)cc1 ZINC000491352201 332195647 /nfs/dbraw/zinc/19/56/47/332195647.db2.gz YEUCFRMZMHPGOC-QGZVFWFLSA-N 1 1 264.303 3.161 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1ccncc1)c1ccc(Cl)cc1 ZINC000491688403 332286175 /nfs/dbraw/zinc/28/61/75/332286175.db2.gz BDOLSVDUAXOLAJ-OAHLLOKOSA-N 1 1 256.736 3.199 20 30 CGEDMO C#C[C@H]([NH2+]Cc1csc(-c2ccccn2)n1)C(C)(C)C ZINC000491734665 332315209 /nfs/dbraw/zinc/31/52/09/332315209.db2.gz SLNFQQUPPPTARV-AWEZNQCLSA-N 1 1 285.416 3.343 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)[C@H]2C[C@H]2c2cccc(F)c2)n1 ZINC000491808334 332361419 /nfs/dbraw/zinc/36/14/19/332361419.db2.gz UVRIGVAHAZRCRK-ROUUACIJSA-N 1 1 297.377 3.033 20 30 CGEDMO C#CC[N@H+](Cc1cc(F)cc2c1OCOC2)C1CCCC1 ZINC000176386913 333041521 /nfs/dbraw/zinc/04/15/21/333041521.db2.gz SRRQQVLRVSUYIY-UHFFFAOYSA-N 1 1 289.350 3.070 20 30 CGEDMO CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCCC(C)(C)C#N ZINC000312191928 333078307 /nfs/dbraw/zinc/07/83/07/333078307.db2.gz SVMZCETUBCYMFA-CVEARBPZSA-N 1 1 277.456 3.265 20 30 CGEDMO C=C(C)C[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000184744616 333110764 /nfs/dbraw/zinc/11/07/64/333110764.db2.gz FZFQNBXSXLFPNM-HOTGVXAUSA-N 1 1 272.436 3.309 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)CC[C@H]1CCCO1 ZINC000189499585 333193778 /nfs/dbraw/zinc/19/37/78/333193778.db2.gz KHCXASGEXMFEJW-OAHLLOKOSA-N 1 1 252.402 3.207 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cccc(Br)c1 ZINC000195546198 333255494 /nfs/dbraw/zinc/25/54/94/333255494.db2.gz LTYNRIXITZKRAR-UHFFFAOYSA-N 1 1 254.171 3.457 20 30 CGEDMO COc1cccc(C[C@@H]2CCC[N@H+]2CCCCC#N)c1 ZINC000522861944 333297287 /nfs/dbraw/zinc/29/72/87/333297287.db2.gz SFLINGVMINXIQB-INIZCTEOSA-N 1 1 272.392 3.396 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000232528648 333338307 /nfs/dbraw/zinc/33/83/07/333338307.db2.gz LKJZEPHMMSFKAE-XHSDSOJGSA-N 1 1 278.440 3.332 20 30 CGEDMO CN(C)C1(C[N@@H+](C)CCCCC(C)(C)C#N)CCC1 ZINC000234271527 333359218 /nfs/dbraw/zinc/35/92/18/333359218.db2.gz AIABPPQAADDTEM-UHFFFAOYSA-N 1 1 265.445 3.123 20 30 CGEDMO CN(CCCCC(C)(C)C#N)CC1([NH+](C)C)CCC1 ZINC000234271527 333359220 /nfs/dbraw/zinc/35/92/20/333359220.db2.gz AIABPPQAADDTEM-UHFFFAOYSA-N 1 1 265.445 3.123 20 30 CGEDMO COC(=O)[C@@H]([NH2+]CCCC(C)(C)C#N)C1CCCCC1 ZINC000541688283 333786937 /nfs/dbraw/zinc/78/69/37/333786937.db2.gz WQIMGTBPCYYHBJ-AWEZNQCLSA-N 1 1 280.412 3.028 20 30 CGEDMO C=CCOc1ccc(C[N@H+](CC)C2CC2)cc1OC ZINC000133317947 334037564 /nfs/dbraw/zinc/03/75/64/334037564.db2.gz YGYZEQIBTQKVAA-UHFFFAOYSA-N 1 1 261.365 3.244 20 30 CGEDMO Fc1ccc(C#CC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000133881502 334067793 /nfs/dbraw/zinc/06/77/93/334067793.db2.gz ANQUITKAEJYLOB-UHFFFAOYSA-N 1 1 265.331 3.236 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCc3ccccc3C2)cc1 ZINC000133881502 334067794 /nfs/dbraw/zinc/06/77/94/334067794.db2.gz ANQUITKAEJYLOB-UHFFFAOYSA-N 1 1 265.331 3.236 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000134005312 334076996 /nfs/dbraw/zinc/07/69/96/334076996.db2.gz BQVJAPHVAVIKLD-KBPBESRZSA-N 1 1 282.428 3.188 20 30 CGEDMO C[C@H](C#N)C[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000134886367 334107124 /nfs/dbraw/zinc/10/71/24/334107124.db2.gz AVHDNXGEPZUFLH-MRVPVSSYSA-N 1 1 260.234 3.094 20 30 CGEDMO C[C@@H]1C[C@H](C)[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000548097627 334139689 /nfs/dbraw/zinc/13/96/89/334139689.db2.gz KNAABBXSJVRHTP-OKILXGFUSA-N 1 1 295.386 3.220 20 30 CGEDMO C[C@@H]1C[C@H](C)[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000548097627 334139691 /nfs/dbraw/zinc/13/96/91/334139691.db2.gz KNAABBXSJVRHTP-OKILXGFUSA-N 1 1 295.386 3.220 20 30 CGEDMO C=C(C)C[N@@H+](CCOC[C@H]1CCCO1)Cc1ccccc1 ZINC000548425540 334155565 /nfs/dbraw/zinc/15/55/65/334155565.db2.gz OOCXKWBJXCBXOZ-GOSISDBHSA-N 1 1 289.419 3.260 20 30 CGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2[C@H](C)C[C@H]2C)c1 ZINC000548754357 334170073 /nfs/dbraw/zinc/17/00/73/334170073.db2.gz ZTGKZWCRRHHRAB-HZPDHXFCSA-N 1 1 299.418 3.033 20 30 CGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2[C@@H](C)C[C@@H]2C)c1 ZINC000548754356 334170102 /nfs/dbraw/zinc/17/01/02/334170102.db2.gz ZTGKZWCRRHHRAB-HOTGVXAUSA-N 1 1 299.418 3.033 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)CCCO1 ZINC000550188028 334215726 /nfs/dbraw/zinc/21/57/26/334215726.db2.gz JGPPWMAPUQVGPQ-QGZVFWFLSA-N 1 1 291.822 3.438 20 30 CGEDMO C[C@@H]1C[C@H](C)CN(C(C)(C)C[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000248894313 334321210 /nfs/dbraw/zinc/32/12/10/334321210.db2.gz SYRBQSILSUSYCC-YYIAUSFCSA-N 1 1 291.483 3.415 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000248972082 334323457 /nfs/dbraw/zinc/32/34/57/334323457.db2.gz SXZBHPVQPSSQBG-NVXWUHKLSA-N 1 1 280.456 3.217 20 30 CGEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CCCSCC2)cc1 ZINC000089985258 334354813 /nfs/dbraw/zinc/35/48/13/334354813.db2.gz XJZBMMAZPHURGN-UHFFFAOYSA-N 1 1 299.361 3.496 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCc2ccc(Cl)cc2C1 ZINC000090615673 334364963 /nfs/dbraw/zinc/36/49/63/334364963.db2.gz XDDBCIQNAOUPEP-OAHLLOKOSA-N 1 1 265.784 3.025 20 30 CGEDMO Cc1occc1C[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000342717546 335186287 /nfs/dbraw/zinc/18/62/87/335186287.db2.gz VWELEDKWGZISFS-UHFFFAOYSA-N 1 1 254.333 3.286 20 30 CGEDMO C[C@H](O)C[N@H+](Cc1ccccc1)Cc1cccc(F)c1C#N ZINC000576568976 335219860 /nfs/dbraw/zinc/21/98/60/335219860.db2.gz GAJITUQFADLPIA-AWEZNQCLSA-N 1 1 298.361 3.080 20 30 CGEDMO C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cccc(F)c1C#N ZINC000576568976 335219861 /nfs/dbraw/zinc/21/98/61/335219861.db2.gz GAJITUQFADLPIA-AWEZNQCLSA-N 1 1 298.361 3.080 20 30 CGEDMO C[C@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000576758717 335244505 /nfs/dbraw/zinc/24/45/05/335244505.db2.gz DUPGLAZBFFGRHT-SWLSCSKDSA-N 1 1 287.363 3.477 20 30 CGEDMO C=CCCCC[N@@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000577349639 335341294 /nfs/dbraw/zinc/34/12/94/335341294.db2.gz METKOWDVUABIHX-UHFFFAOYSA-N 1 1 278.362 3.301 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)cn1)[C@H](C)c1cccc(O)c1 ZINC000577570058 335370181 /nfs/dbraw/zinc/37/01/81/335370181.db2.gz WZYVMYPVOQGNEV-CYBMUJFWSA-N 1 1 281.359 3.242 20 30 CGEDMO CCCOc1ccc(C[NH2+]C[C@@H](C)C#N)cc1OCC ZINC000183839917 335909487 /nfs/dbraw/zinc/90/94/87/335909487.db2.gz AUEINOKFGTWDCJ-ZDUSSCGKSA-N 1 1 276.380 3.123 20 30 CGEDMO C=CC[N@@H+](CCOC)[C@@H](C)c1ccc(F)cc1F ZINC000195002576 336042339 /nfs/dbraw/zinc/04/23/39/336042339.db2.gz GYYJBPOLPJDLLM-NSHDSACASA-N 1 1 255.308 3.160 20 30 CGEDMO C=CC[N@H+](CCOC)[C@@H](C)c1ccc(F)cc1F ZINC000195002576 336042340 /nfs/dbraw/zinc/04/23/40/336042340.db2.gz GYYJBPOLPJDLLM-NSHDSACASA-N 1 1 255.308 3.160 20 30 CGEDMO C=C(C)CC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000381319114 336059103 /nfs/dbraw/zinc/05/91/03/336059103.db2.gz VOJAOCVRLYDRQI-GBESFXJTSA-N 1 1 284.447 3.453 20 30 CGEDMO CCCC[N@@H+](C)C[C@@H](C)Nc1ccc2cc(C#N)ccc2n1 ZINC000581402483 336068631 /nfs/dbraw/zinc/06/86/31/336068631.db2.gz NKCHPMOGSHACJJ-CQSZACIVSA-N 1 1 296.418 3.061 20 30 CGEDMO CCC[C@@H](C)C[N@@H+](CCN(C)C)Cc1ccc(C#N)cc1 ZINC000581515978 336092644 /nfs/dbraw/zinc/09/26/44/336092644.db2.gz RIBLEVNGRDKIFK-MRXNPFEDSA-N 1 1 287.451 3.358 20 30 CGEDMO CCC[C@@H](C)CN(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000581515978 336092646 /nfs/dbraw/zinc/09/26/46/336092646.db2.gz RIBLEVNGRDKIFK-MRXNPFEDSA-N 1 1 287.451 3.358 20 30 CGEDMO C[C@@H]1Cc2[nH+]cn(Cc3cccc(C#N)c3F)c2C[C@@H]1C ZINC000386664834 336177116 /nfs/dbraw/zinc/17/71/16/336177116.db2.gz BATQGABDVQKVOX-NEPJUHHUSA-N 1 1 283.350 3.313 20 30 CGEDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)Nc1ncc(C#N)cc1Cl ZINC000358878763 533830619 /nfs/dbraw/zinc/83/06/19/533830619.db2.gz VFQVOYSMTOXUNT-NEPJUHHUSA-N 1 1 292.814 3.139 20 30 CGEDMO Cc1noc(C)c1NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000329457216 534369043 /nfs/dbraw/zinc/36/90/43/534369043.db2.gz QOIIQTCIZSOLSQ-GFCCVEGCSA-N 1 1 265.357 3.144 20 30 CGEDMO Cc1c[nH]c(-c2ccccc2NC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC000330210590 534518745 /nfs/dbraw/zinc/51/87/45/534518745.db2.gz CLPLYQDGIXWHJC-AWEZNQCLSA-N 1 1 284.363 3.067 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000054182018 522463759 /nfs/dbraw/zinc/46/37/59/522463759.db2.gz TYCPASKSMJEKCE-NSHDSACASA-N 1 1 272.270 3.367 20 30 CGEDMO N#CCc1ccc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)cc1 ZINC000352230213 534718749 /nfs/dbraw/zinc/71/87/49/534718749.db2.gz JDZURXRZVQVIOM-KRWDZBQOSA-N 1 1 280.375 3.203 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)cc1 ZINC000352230213 534718751 /nfs/dbraw/zinc/71/87/51/534718751.db2.gz JDZURXRZVQVIOM-KRWDZBQOSA-N 1 1 280.375 3.203 20 30 CGEDMO Cc1nc(C)c(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)o1 ZINC000329162043 534881460 /nfs/dbraw/zinc/88/14/60/534881460.db2.gz FWKWACBDEBLQHR-CQSZACIVSA-N 1 1 291.395 3.155 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cccc(C)n1 ZINC000352720715 526327144 /nfs/dbraw/zinc/32/71/44/526327144.db2.gz MUMVBWHEUUHDLI-UHFFFAOYSA-N 1 1 256.349 3.214 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)CC[C@H]2c2ccccc2)C1=O ZINC000352801906 526511849 /nfs/dbraw/zinc/51/18/49/526511849.db2.gz UJQUSHIWIIZBHI-SZMVWBNQSA-N 1 1 298.430 3.247 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(OCc2nccn2C)cc1 ZINC000114712521 526547579 /nfs/dbraw/zinc/54/75/79/526547579.db2.gz JRHOCZSJTPEMHS-UHFFFAOYSA-N 1 1 299.418 3.397 20 30 CGEDMO N#Cc1cc(Cl)ccc1NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000052857158 526554722 /nfs/dbraw/zinc/55/47/22/526554722.db2.gz WNRZVNPBKVROQL-LLVKDONJSA-N 1 1 275.783 3.108 20 30 CGEDMO C=CCOCCC[N@H+]1CCCn2c(cc3ccccc32)C1 ZINC000347510339 526756011 /nfs/dbraw/zinc/75/60/11/526756011.db2.gz DKXMNFQMMQFZKM-UHFFFAOYSA-N 1 1 284.403 3.440 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](CC)C2)cc1OC ZINC000355080188 526870835 /nfs/dbraw/zinc/87/08/35/526870835.db2.gz MDQMKFIHCLOXAR-CQSZACIVSA-N 1 1 275.392 3.492 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCSC[C@H]2C)cc1 ZINC000353497145 526872307 /nfs/dbraw/zinc/87/23/07/526872307.db2.gz CWKLMGHYUOZSTF-CYBMUJFWSA-N 1 1 263.406 3.189 20 30 CGEDMO Cc1nc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)sc1C ZINC000094965503 526891501 /nfs/dbraw/zinc/89/15/01/526891501.db2.gz IQMVKGJQGQDILY-NSHDSACASA-N 1 1 271.389 3.482 20 30 CGEDMO C=C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000353336962 526901130 /nfs/dbraw/zinc/90/11/30/526901130.db2.gz ZLIIJHILTJVQJR-GQCTYLIASA-N 1 1 258.321 3.260 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2C[C@@H](C)O[C@H](CC)C2)c1 ZINC000352727841 526902231 /nfs/dbraw/zinc/90/22/31/526902231.db2.gz ZYJSMLZLQQVCRL-GDBMZVCRSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2C[C@@H](C)O[C@H](CC)C2)c1 ZINC000352727841 526902234 /nfs/dbraw/zinc/90/22/34/526902234.db2.gz ZYJSMLZLQQVCRL-GDBMZVCRSA-N 1 1 275.392 3.251 20 30 CGEDMO C=C1CC[NH+](Cc2ccccc2OC(F)F)CC1 ZINC000353335930 526904889 /nfs/dbraw/zinc/90/48/89/526904889.db2.gz WYMDJLCGVCYUGS-UHFFFAOYSA-N 1 1 253.292 3.440 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1nc2ccc(OC)nc2[nH]1 ZINC000355009737 527128885 /nfs/dbraw/zinc/12/88/85/527128885.db2.gz HYUCFKHTEQCVKV-UHFFFAOYSA-N 1 1 288.395 3.145 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000347112716 527133570 /nfs/dbraw/zinc/13/35/70/527133570.db2.gz ZZTVXRYSDINGOD-INIZCTEOSA-N 1 1 260.381 3.281 20 30 CGEDMO C=CCCC[N@@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000344615614 527197156 /nfs/dbraw/zinc/19/71/56/527197156.db2.gz ZIJKCCWJJGDDFF-UHFFFAOYSA-N 1 1 255.365 3.378 20 30 CGEDMO C=CCCC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1 ZINC000344602529 527201384 /nfs/dbraw/zinc/20/13/84/527201384.db2.gz PLPPBNNUABUULP-GOSISDBHSA-N 1 1 298.430 3.002 20 30 CGEDMO C=CCCC[C@@H](C)[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000352560437 527249588 /nfs/dbraw/zinc/24/95/88/527249588.db2.gz FMLYEJLNXQYABK-CQSZACIVSA-N 1 1 259.397 3.254 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCOc2cc(O)ccc2C1 ZINC000353151603 527251264 /nfs/dbraw/zinc/25/12/64/527251264.db2.gz FVKXRNQRKAMIQG-CYBMUJFWSA-N 1 1 261.365 3.331 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000352022266 527490563 /nfs/dbraw/zinc/49/05/63/527490563.db2.gz OGAUHVRROYZZPW-AWEZNQCLSA-N 1 1 293.357 3.381 20 30 CGEDMO CCC[N@@H+](CCC1(O)CCC1)Cc1ccc(C#N)cc1 ZINC000411165922 528064067 /nfs/dbraw/zinc/06/40/67/528064067.db2.gz LEODIXHSBVKOIY-UHFFFAOYSA-N 1 1 272.392 3.075 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1Cl)CC(C)(C)O ZINC000439452316 528135306 /nfs/dbraw/zinc/13/53/06/528135306.db2.gz NWAFGDNLXXYXDC-UHFFFAOYSA-N 1 1 280.799 3.195 20 30 CGEDMO CC[N@@H+](Cc1cc(F)cc2cccnc21)C[C@H](C)C#N ZINC000352079883 528765830 /nfs/dbraw/zinc/76/58/30/528765830.db2.gz QYKGVYWUTRNQHE-GFCCVEGCSA-N 1 1 271.339 3.355 20 30 CGEDMO CC[N@H+](Cc1cc(F)cc2cccnc21)C[C@H](C)C#N ZINC000352079883 528765832 /nfs/dbraw/zinc/76/58/32/528765832.db2.gz QYKGVYWUTRNQHE-GFCCVEGCSA-N 1 1 271.339 3.355 20 30 CGEDMO CC(C)[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C1CCC1 ZINC000440657312 528967118 /nfs/dbraw/zinc/96/71/18/528967118.db2.gz FLQYDSRTJIWPIN-UHFFFAOYSA-N 1 1 296.374 3.371 20 30 CGEDMO CC1(C)C[N@@H+](Cc2cccc(C#N)c2)[C@@H]2CCC[C@H]2O1 ZINC000440944423 529124114 /nfs/dbraw/zinc/12/41/14/529124114.db2.gz WJCRWKKMGORZLZ-HZPDHXFCSA-N 1 1 270.376 3.090 20 30 CGEDMO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2nc(C#N)cs2)C1 ZINC000356108361 529219415 /nfs/dbraw/zinc/21/94/15/529219415.db2.gz INYDWMMEITVEPA-VXGBXAGGSA-N 1 1 281.450 3.121 20 30 CGEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2nc(C#N)cs2)C1 ZINC000356108361 529219417 /nfs/dbraw/zinc/21/94/17/529219417.db2.gz INYDWMMEITVEPA-VXGBXAGGSA-N 1 1 281.450 3.121 20 30 CGEDMO CCC(CC)[C@@H](C[NH2+]Cc1cc(C#N)cs1)N(C)C ZINC000093492308 535108964 /nfs/dbraw/zinc/10/89/64/535108964.db2.gz IIWXXJZWNDMZLY-OAHLLOKOSA-N 1 1 279.453 3.076 20 30 CGEDMO CCCCCCC[NH+]1CCN(C(=O)c2ccsc2)CC1 ZINC000740875178 571890662 /nfs/dbraw/zinc/89/06/62/571890662.db2.gz JOKZBMYRBFDRGZ-UHFFFAOYSA-N 1 1 294.464 3.476 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000740876516 571890857 /nfs/dbraw/zinc/89/08/57/571890857.db2.gz XJUYUYOXNIIPMA-OAHLLOKOSA-N 1 1 268.445 3.193 20 30 CGEDMO C[N@@H+](Cc1ccsc1)Cc1ccc(OCC#N)cc1 ZINC000729267618 571893810 /nfs/dbraw/zinc/89/38/10/571893810.db2.gz ZRDKUZNQGJRXRH-UHFFFAOYSA-N 1 1 272.373 3.282 20 30 CGEDMO C#CC[N@@H+](CC)[C@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000746457497 571966089 /nfs/dbraw/zinc/96/60/89/571966089.db2.gz GCWVOCHPRXISPX-CQSZACIVSA-N 1 1 286.419 3.266 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000746457497 571966090 /nfs/dbraw/zinc/96/60/90/571966090.db2.gz GCWVOCHPRXISPX-CQSZACIVSA-N 1 1 286.419 3.266 20 30 CGEDMO C#CC[N@@H+](C)CCCCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000731032539 572392520 /nfs/dbraw/zinc/39/25/20/572392520.db2.gz KDBSBGXMOMTQSA-UHFFFAOYSA-N 1 1 299.393 3.494 20 30 CGEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+](C)[C@H](C)C(C)C ZINC000739836714 572425037 /nfs/dbraw/zinc/42/50/37/572425037.db2.gz JWLDNIFKDLPIHH-CYBMUJFWSA-N 1 1 297.406 3.059 20 30 CGEDMO C=CCC[N@H+](CCC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000739913703 572426921 /nfs/dbraw/zinc/42/69/21/572426921.db2.gz FENYWDGNOKMSJN-CQSZACIVSA-N 1 1 282.428 3.284 20 30 CGEDMO C=CCCCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000741325187 572493603 /nfs/dbraw/zinc/49/36/03/572493603.db2.gz HAWSIDDFIVODDZ-QGZVFWFLSA-N 1 1 287.403 3.408 20 30 CGEDMO CC[N@H+]1CCC(N=Nc2cccc3ncccc23)[C@H](C)C1 ZINC000741460918 572499788 /nfs/dbraw/zinc/49/97/88/572499788.db2.gz UKWWPQUAQBMMJX-CYBMUJFWSA-N 1 1 282.391 3.364 20 30 CGEDMO CC[N@H+]1CCC(=NNCc2cccc3cccnc32)[C@@H](C)C1 ZINC000741460076 572499798 /nfs/dbraw/zinc/49/97/98/572499798.db2.gz LSQXKLCPFRNSQM-AWEZNQCLSA-N 1 1 296.418 3.042 20 30 CGEDMO CCC(CC)NN=C1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000734364759 572648900 /nfs/dbraw/zinc/64/89/00/572648900.db2.gz DWAYQDYUSZVCRZ-CQSZACIVSA-N 1 1 288.439 3.058 20 30 CGEDMO C=CC[N@@H+](CC1CCCCC1)CN1C(=O)CC12CCC2 ZINC000743363049 572653924 /nfs/dbraw/zinc/65/39/24/572653924.db2.gz GIQAVFZEANQCDE-UHFFFAOYSA-N 1 1 276.424 3.167 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000744122091 572711127 /nfs/dbraw/zinc/71/11/27/572711127.db2.gz UDVVRPKCAFSJNQ-CQSZACIVSA-N 1 1 280.375 3.111 20 30 CGEDMO C#CC[N@H+](CCOc1ccc(OC)cc1)C1CCCCC1 ZINC000744212610 572723313 /nfs/dbraw/zinc/72/33/13/572723313.db2.gz UOUFZBKEAFEWJH-UHFFFAOYSA-N 1 1 287.403 3.342 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H]1C(=O)OCc1ccccc1 ZINC000735494240 572726059 /nfs/dbraw/zinc/72/60/59/572726059.db2.gz WGIJFPYVLWSWIG-INIZCTEOSA-N 1 1 273.376 3.160 20 30 CGEDMO C[C@H]1C[N@@H+](CCCSCC#N)Cc2ccccc21 ZINC000745982650 572847079 /nfs/dbraw/zinc/84/70/79/572847079.db2.gz WHEAWPVJMOWAKO-ZDUSSCGKSA-N 1 1 260.406 3.253 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)c1ccc(Br)cc1 ZINC000746144096 572857197 /nfs/dbraw/zinc/85/71/97/572857197.db2.gz KSHRUJNBJIOCPE-LLVKDONJSA-N 1 1 266.182 3.465 20 30 CGEDMO C=C(Cl)C[N@@H+](CCOC)[C@@H](C)c1ccccc1 ZINC000746659420 572888667 /nfs/dbraw/zinc/88/86/67/572888667.db2.gz PKWMJHCRZCFXOS-ZDUSSCGKSA-N 1 1 253.773 3.449 20 30 CGEDMO C=C(Cl)C[N@H+](CCOC)[C@@H](C)c1ccccc1 ZINC000746659420 572888672 /nfs/dbraw/zinc/88/86/72/572888672.db2.gz PKWMJHCRZCFXOS-ZDUSSCGKSA-N 1 1 253.773 3.449 20 30 CGEDMO Cc1cc(F)ccc1[C@@H](O)C[N@@H+](CCC#N)CCC(C)C ZINC000746671278 572890258 /nfs/dbraw/zinc/89/02/58/572890258.db2.gz CDTOPHCOGPHYOU-KRWDZBQOSA-N 1 1 292.398 3.429 20 30 CGEDMO Cc1cc(F)ccc1[C@@H](O)C[N@H+](CCC#N)CCC(C)C ZINC000746671278 572890260 /nfs/dbraw/zinc/89/02/60/572890260.db2.gz CDTOPHCOGPHYOU-KRWDZBQOSA-N 1 1 292.398 3.429 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCNc1nc2ccccc2cc1C#N ZINC000750016350 573074776 /nfs/dbraw/zinc/07/47/76/573074776.db2.gz UHHVBZGCFGFGMJ-AWEZNQCLSA-N 1 1 294.402 3.393 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@]2(C)CCC[C@H]2C)CC1 ZINC000981898868 613255087 /nfs/dbraw/zinc/25/50/87/613255087.db2.gz SUCHCSKSUPSCIC-SJLPKXTDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC2(C)C)CC1 ZINC000948306840 613256704 /nfs/dbraw/zinc/25/67/04/613256704.db2.gz QFQKAIGJHLUULN-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2(C)CC(=C)C2)C[C@H]1C ZINC000947702103 613265268 /nfs/dbraw/zinc/26/52/68/613265268.db2.gz JOLPXPABKQBJDX-HZPDHXFCSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2(C3CC3)CC2)C[C@@H]1C ZINC000947427078 613265473 /nfs/dbraw/zinc/26/54/73/613265473.db2.gz WHCLVDSZMJPGPL-GOEBONIOSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccccc2)C1 ZINC000964742760 613269815 /nfs/dbraw/zinc/26/98/15/613269815.db2.gz JVOWVXTUNCNDGV-DOTOQJQBSA-N 1 1 286.419 3.093 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2(C)CC=CC2)[C@H](C)C1 ZINC000942602095 613270411 /nfs/dbraw/zinc/27/04/11/613270411.db2.gz CYWAPUVPUXNWGT-CVEARBPZSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC2(C)C)C(C)(C)C1 ZINC000974942047 613274379 /nfs/dbraw/zinc/27/43/79/613274379.db2.gz CWWBMZRUYNFYLK-LSDHHAIUSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)C(C)(C)C2CC2)C(C)(C)C1 ZINC000974964952 613276491 /nfs/dbraw/zinc/27/64/91/613276491.db2.gz YJDRQUACBGOUEG-HNNXBMFYSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)C2CC(C(C)(C)C)C2)C1 ZINC000980521300 613283142 /nfs/dbraw/zinc/28/31/42/613283142.db2.gz MLPVTIHFFXDXFO-UYSNPLJNSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2sc(C)cc2C)C1 ZINC000971610375 613292552 /nfs/dbraw/zinc/29/25/52/613292552.db2.gz FGAWZWDXFGTTMJ-AWEZNQCLSA-N 1 1 292.448 3.087 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)C1CC2(CC2)C1 ZINC000969017104 613306868 /nfs/dbraw/zinc/30/68/68/613306868.db2.gz DKYYBEOTKMDGHO-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC000968959357 613307188 /nfs/dbraw/zinc/30/71/88/613307188.db2.gz BXLUPZKEPPQVCO-SOLBZPMBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)c2cscc2Cl)CC1 ZINC000981401726 613313246 /nfs/dbraw/zinc/31/32/46/613313246.db2.gz XWIWBZZFKZKWCS-UHFFFAOYSA-N 1 1 298.839 3.126 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2(C)CCCCC2)[C@H](C)C1 ZINC000942598347 613326886 /nfs/dbraw/zinc/32/68/86/613326886.db2.gz WBKRUYMMUQBKME-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CC2=CCCCC2)C[C@H]1C ZINC000947143214 613327262 /nfs/dbraw/zinc/32/72/62/613327262.db2.gz IEFMDVJSKXEYOH-NVXWUHKLSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC(C)C)C2)C1 ZINC000961105761 613332142 /nfs/dbraw/zinc/33/21/42/613332142.db2.gz BFULEMOIYXFDTQ-DLBZAZTESA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)CC2=CCCCC2)C1 ZINC000965621900 613332574 /nfs/dbraw/zinc/33/25/74/613332574.db2.gz HVRWSRNVGGBXAH-RDJZCZTQSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)C2CCC2)[C@H](C)C1 ZINC000942535616 613334474 /nfs/dbraw/zinc/33/44/74/613334474.db2.gz LQSWCGPIUNHDJM-ZBFHGGJFSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)CC2CC(C)(C)C2)C(C)(C)C1 ZINC000974944274 613337449 /nfs/dbraw/zinc/33/74/49/613337449.db2.gz IEPDPOYOCJKIEJ-OAHLLOKOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)CC2CCCCC2)C(C)(C)C1 ZINC000972788534 613337654 /nfs/dbraw/zinc/33/76/54/613337654.db2.gz IMOJHNPLWAFJBJ-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC ZINC000969037555 613372854 /nfs/dbraw/zinc/37/28/54/613372854.db2.gz ILAFWUZXGUSPEJ-RBSFLKMASA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC ZINC000969037555 613372855 /nfs/dbraw/zinc/37/28/55/613372855.db2.gz ILAFWUZXGUSPEJ-RBSFLKMASA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)C2CC2)C(C)(C)C1 ZINC000940654872 613378589 /nfs/dbraw/zinc/37/85/89/613378589.db2.gz FRQCCHQFMRISHO-JSGCOSHPSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C2CC2)C(C)(C)C1 ZINC000940654872 613378590 /nfs/dbraw/zinc/37/85/90/613378590.db2.gz FRQCCHQFMRISHO-JSGCOSHPSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](CC(C)C)[C@H](C)C2)CC1 ZINC000947686489 613410152 /nfs/dbraw/zinc/41/01/52/613410152.db2.gz ZGHPYAUSRVLGCG-NVXWUHKLSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)c2ccsc2Cl)C1 ZINC000952406601 613480204 /nfs/dbraw/zinc/48/02/04/613480204.db2.gz FJSRFKMWGACWKM-UHFFFAOYSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)c2sccc2Cl)CC1 ZINC000981219479 613498686 /nfs/dbraw/zinc/49/86/86/613498686.db2.gz MISQUYVHHBEAOT-UHFFFAOYSA-N 1 1 298.839 3.126 20 30 CGEDMO C=Cc1ccc(C(=O)N2CCC[N@H+](CCC(=C)C)CC2)cc1 ZINC000982016029 613511628 /nfs/dbraw/zinc/51/16/28/613511628.db2.gz MLSGBYRPTNJHLQ-UHFFFAOYSA-N 1 1 298.430 3.444 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C(F)=C2CCCC2)C1 ZINC000965901561 613516448 /nfs/dbraw/zinc/51/64/48/613516448.db2.gz VOWQMGAXYCQREL-UKRRQHHQSA-N 1 1 294.414 3.187 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C2CCC2)C[C@@H]1C ZINC000947579646 613518888 /nfs/dbraw/zinc/51/88/88/613518888.db2.gz DUMWYXSLGXCLDK-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C2(C)CC(=C)C2)C(C)(C)C1 ZINC000941018436 613519133 /nfs/dbraw/zinc/51/91/33/613519133.db2.gz WOOKSROUUVFUEM-OAHLLOKOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)c2sccc2C)[C@@H](C)C1 ZINC000941747421 613542515 /nfs/dbraw/zinc/54/25/15/613542515.db2.gz LETBHKMRJWKAST-KBPBESRZSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C(C)C)CC[C@@H]2C1 ZINC000946806730 613558600 /nfs/dbraw/zinc/55/86/00/613558600.db2.gz ZIZFADBYBLWZEK-ZACQAIPSSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)c2coc3c2cccc3C)C1 ZINC000971689531 613624771 /nfs/dbraw/zinc/62/47/71/613624771.db2.gz KJNXMXWXNWARAH-CQSZACIVSA-N 1 1 298.386 3.074 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)CCC2CCCCC2)C1 ZINC000980316543 613626915 /nfs/dbraw/zinc/62/69/15/613626915.db2.gz KCPNWEKWNAHTOH-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)C1CC2(CCC2)C1 ZINC000968984833 613683413 /nfs/dbraw/zinc/68/34/13/613683413.db2.gz IMNGMMXMKVWSCM-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)C[C@H](C)C2CCCCC2)CC1 ZINC000982192188 613690216 /nfs/dbraw/zinc/69/02/16/613690216.db2.gz UBUKFNPOXGNIAH-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C=C(C)C)CC2)C1 ZINC000961312531 613703419 /nfs/dbraw/zinc/70/34/19/613703419.db2.gz KMTGNCPTZIMDEV-KRWDZBQOSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)C(F)=C2CCCC2)CC1 ZINC000948294335 613703642 /nfs/dbraw/zinc/70/36/42/613703642.db2.gz AMALYFGPSWKEDO-HNNXBMFYSA-N 1 1 294.414 3.283 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)CC2CC(C)(C)C2)CC1 ZINC000948710415 613704057 /nfs/dbraw/zinc/70/40/57/613704057.db2.gz BGEDIKOPVASKQJ-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC2CCC2)C1 ZINC000963276621 613706261 /nfs/dbraw/zinc/70/62/61/613706261.db2.gz SQDRFYOVFXDQIB-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCC2CC2)C1 ZINC000963279505 613706361 /nfs/dbraw/zinc/70/63/61/613706361.db2.gz RUKNCXMUELCNQQ-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C2(C)C(C)(C)C2(C)C)C[C@@H]1C ZINC000948085804 613740483 /nfs/dbraw/zinc/74/04/83/613740483.db2.gz CORYFSRLTFZYII-UONOGXRCSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C2CCC3(CC3)CC2)C[C@H]1C ZINC000947550694 613741575 /nfs/dbraw/zinc/74/15/75/613741575.db2.gz AHEJHYUKAAPOLB-GDBMZVCRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C=C2CCCCC2)C[C@H]1C ZINC000947080600 613741972 /nfs/dbraw/zinc/74/19/72/613741972.db2.gz MNBDZCGTNXVUJG-GDBMZVCRSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CC=CCC2)C(C)(C)C1 ZINC000940950462 613742438 /nfs/dbraw/zinc/74/24/38/613742438.db2.gz NSKVLMDJFWPURG-HZPDHXFCSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2C=CCCC2)C(C)(C)C1 ZINC000940835811 613742697 /nfs/dbraw/zinc/74/26/97/613742697.db2.gz DMHGBCMNSGXZPS-HZPDHXFCSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)c2cc(Cl)cs2)[C@H](C)C1 ZINC000943290675 613750039 /nfs/dbraw/zinc/75/00/39/613750039.db2.gz YRLQOIVSPDTXKI-ZYHUDNBSSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C)c2)C(C)(C)C1 ZINC000940547044 613753647 /nfs/dbraw/zinc/75/36/47/613753647.db2.gz DHOIEGLZIMAPPU-MRXNPFEDSA-N 1 1 286.419 3.011 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)c2sccc2Cl)[C@@H](C)C1 ZINC000942074092 613762800 /nfs/dbraw/zinc/76/28/00/613762800.db2.gz UPOMOKAYDDPKHO-CMPLNLGQSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2sccc2Cl)C[C@H]1C ZINC000947329263 613762939 /nfs/dbraw/zinc/76/29/39/613762939.db2.gz WGRGUTFYFKQPRF-GHMZBOCLSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2sccc2CC)C[C@@H]1C ZINC000948067488 613763273 /nfs/dbraw/zinc/76/32/73/613763273.db2.gz XITOJQWFWSFXRT-GXTWGEPZSA-N 1 1 292.448 3.079 20 30 CGEDMO C=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccoc2C(C)C)C1 ZINC000968684479 613770510 /nfs/dbraw/zinc/77/05/10/613770510.db2.gz DATIMUXGVGKUSB-ZFWWWQNUSA-N 1 1 290.407 3.029 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2sc(C)cc2C)C[C@@H]1C ZINC000947352522 613801872 /nfs/dbraw/zinc/80/18/72/613801872.db2.gz MEGDEUGEEYKMFT-JSGCOSHPSA-N 1 1 292.448 3.134 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C2CCCC2)C(C)(C)C1 ZINC000974703371 613806197 /nfs/dbraw/zinc/80/61/97/613806197.db2.gz UYGBBIQUGXXYPF-OAHLLOKOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2sccc2Cl)C(C)(C)C1 ZINC000974630550 613812435 /nfs/dbraw/zinc/81/24/35/613812435.db2.gz MVLXFNKQMGDIGL-LLVKDONJSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2sccc2Cl)C(C)(C)C1 ZINC000974630550 613812437 /nfs/dbraw/zinc/81/24/37/613812437.db2.gz MVLXFNKQMGDIGL-LLVKDONJSA-N 1 1 298.839 3.028 20 30 CGEDMO CCCC[N@H+](Cc1c(C)oc(C)c1C)C[C@H](O)CC#N ZINC000932498028 617805043 /nfs/dbraw/zinc/80/50/43/617805043.db2.gz SAOQEYTXUSZTDJ-OAHLLOKOSA-N 1 1 278.396 3.082 20 30 CGEDMO C=C(C)c1cccc(NC(=O)C[N@H+](C)C2CCC2)c1 ZINC000890888572 617891159 /nfs/dbraw/zinc/89/11/59/617891159.db2.gz FXFLQOLVGXLNGA-UHFFFAOYSA-N 1 1 258.365 3.143 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCN(C)C[C@@H]1CC(C)C ZINC000933257094 618176740 /nfs/dbraw/zinc/17/67/40/618176740.db2.gz TUOPUSUQOFCZHE-KRWDZBQOSA-N 1 1 264.457 3.232 20 30 CGEDMO C[N@@H+](CCOc1ccccc1)Cc1csc(C#N)c1 ZINC000891393986 618183577 /nfs/dbraw/zinc/18/35/77/618183577.db2.gz MWNYRSNTCAYQPY-UHFFFAOYSA-N 1 1 272.373 3.131 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCCN(c3ccccc3)CC2)cs1 ZINC000891779255 618289646 /nfs/dbraw/zinc/28/96/46/618289646.db2.gz WOHDVEDHZYZIAO-UHFFFAOYSA-N 1 1 297.427 3.332 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1nccn1C1CC1 ZINC000891806446 618310824 /nfs/dbraw/zinc/31/08/24/618310824.db2.gz BUXVLQJSUOXSMV-UHFFFAOYSA-N 1 1 281.403 3.449 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)Cc1nccn1C1CC1 ZINC000891806446 618310834 /nfs/dbraw/zinc/31/08/34/618310834.db2.gz BUXVLQJSUOXSMV-UHFFFAOYSA-N 1 1 281.403 3.449 20 30 CGEDMO C[C@@H](c1ccc(F)nc1)[N@H+](C)Cc1cc(C#N)cs1 ZINC000933771005 618321510 /nfs/dbraw/zinc/32/15/10/618321510.db2.gz UPPISTCDJGSVJZ-JTQLQIEISA-N 1 1 275.352 3.347 20 30 CGEDMO C[C@@H](c1ccc(F)nc1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933771005 618321518 /nfs/dbraw/zinc/32/15/18/618321518.db2.gz UPPISTCDJGSVJZ-JTQLQIEISA-N 1 1 275.352 3.347 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CCCSC[C@@H]1C1CC1 ZINC000933916333 618377388 /nfs/dbraw/zinc/37/73/88/618377388.db2.gz QCBVUENTWLGCRA-MRXNPFEDSA-N 1 1 290.407 3.415 20 30 CGEDMO Cc1cc(C#N)ccc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000891912746 618380490 /nfs/dbraw/zinc/38/04/90/618380490.db2.gz JBMFSGZGFQDBIE-UHFFFAOYSA-N 1 1 285.435 3.423 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1C[C@H](O)c1ccc(Cl)cc1 ZINC000934462634 618624295 /nfs/dbraw/zinc/62/42/95/618624295.db2.gz ZBOWTNHFLWZCGM-KBPBESRZSA-N 1 1 251.757 3.024 20 30 CGEDMO CCOc1ccc(CC[N@@H+](C)CCC(C)(C)C#N)cc1 ZINC000934718735 618674087 /nfs/dbraw/zinc/67/40/87/618674087.db2.gz BLKDFAYSOBYAKZ-UHFFFAOYSA-N 1 1 274.408 3.499 20 30 CGEDMO C[C@@H](CC/N=C/c1cc(Cl)cc(Cl)c1O)[NH+](C)C ZINC000849170842 618683725 /nfs/dbraw/zinc/68/37/25/618683725.db2.gz VWVVTZABPYPVJF-VKPPLCHCSA-N 1 1 289.206 3.458 20 30 CGEDMO COc1cc([C@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)on1 ZINC000926598483 618757736 /nfs/dbraw/zinc/75/77/36/618757736.db2.gz AVOIZOYZGWTAEA-XHDPSFHLSA-N 1 1 297.358 3.283 20 30 CGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC2(CCCC2)C1 ZINC000173829633 618857411 /nfs/dbraw/zinc/85/74/11/618857411.db2.gz JCEIZTZEAPUAFV-AWEZNQCLSA-N 1 1 297.402 3.151 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2c(C)oc3ccccc32)C1 ZINC001007408752 618889126 /nfs/dbraw/zinc/88/91/26/618889126.db2.gz ZQELPWJGHCCTRF-AWEZNQCLSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C(C)(C)C2CCCC2)C1 ZINC001007512460 618895192 /nfs/dbraw/zinc/89/51/92/618895192.db2.gz JAYOMAZCJMHBLO-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CN1CCC([NH2+]Cc2cc(O)cc(Cl)c2)CC1 ZINC000892881205 618947887 /nfs/dbraw/zinc/94/78/87/618947887.db2.gz RCILFQCIAATSHC-UHFFFAOYSA-N 1 1 294.826 3.176 20 30 CGEDMO C[C@H]1[C@@H](N2CCCC2)CC[N@@H+]1CCCCC1(C#N)CCC1 ZINC000930482127 619001658 /nfs/dbraw/zinc/00/16/58/619001658.db2.gz KKLNFHMAEVYKTQ-IRXDYDNUSA-N 1 1 289.467 3.409 20 30 CGEDMO C[C@H]1[C@@H](N2CCCC2)CC[N@H+]1CCCCC1(C#N)CCC1 ZINC000930482127 619001660 /nfs/dbraw/zinc/00/16/60/619001660.db2.gz KKLNFHMAEVYKTQ-IRXDYDNUSA-N 1 1 289.467 3.409 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCN(C2CCC2)C[C@H](C)C1 ZINC000930560665 619017622 /nfs/dbraw/zinc/01/76/22/619017622.db2.gz UAKYMNHZCWQXDO-QGZVFWFLSA-N 1 1 276.468 3.376 20 30 CGEDMO C#CCCCCCCN1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000930560665 619017624 /nfs/dbraw/zinc/01/76/24/619017624.db2.gz UAKYMNHZCWQXDO-QGZVFWFLSA-N 1 1 276.468 3.376 20 30 CGEDMO C#CCCCCCCN1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000930560665 619017626 /nfs/dbraw/zinc/01/76/26/619017626.db2.gz UAKYMNHZCWQXDO-QGZVFWFLSA-N 1 1 276.468 3.376 20 30 CGEDMO CSC[C@@H]1CCC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000930559544 619017704 /nfs/dbraw/zinc/01/77/04/619017704.db2.gz MQEQUODTBYCGLK-YMAMQOFZSA-N 1 1 266.454 3.391 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CCC)C1 ZINC001007880610 619028679 /nfs/dbraw/zinc/02/86/79/619028679.db2.gz HTSMLONXFQWDQA-MRXNPFEDSA-N 1 1 286.419 3.019 20 30 CGEDMO C#CC[C@H]([NH2+]Cc1c(Cl)c(C)nn1C)c1ccccc1 ZINC000893238624 619038639 /nfs/dbraw/zinc/03/86/39/619038639.db2.gz OCQVOCANZHCSIT-AWEZNQCLSA-N 1 1 287.794 3.236 20 30 CGEDMO C[C@H]1C[N@@H+](CCCCC2(C#N)CCC2)CC2(CCC2)O1 ZINC000930824313 619079980 /nfs/dbraw/zinc/07/99/80/619079980.db2.gz DDNVLSQFTVOFRY-HNNXBMFYSA-N 1 1 276.424 3.494 20 30 CGEDMO CN1C[C@]2(C)C[N@H+](CCC3(C#N)CCCCC3)C[C@]2(C)C1 ZINC000931317565 619143405 /nfs/dbraw/zinc/14/34/05/619143405.db2.gz PBSBZWFJZNKJNR-CALCHBBNSA-N 1 1 289.467 3.124 20 30 CGEDMO CN1C[C@]2(C)C[N@@H+](CCC3(C#N)CCCCC3)C[C@]2(C)C1 ZINC000931317565 619143407 /nfs/dbraw/zinc/14/34/07/619143407.db2.gz PBSBZWFJZNKJNR-CALCHBBNSA-N 1 1 289.467 3.124 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC000931365055 619153090 /nfs/dbraw/zinc/15/30/90/619153090.db2.gz GHSXVOGRVZJZBJ-CYBMUJFWSA-N 1 1 255.365 3.318 20 30 CGEDMO CC(C)(O)[C@@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000931612681 619215091 /nfs/dbraw/zinc/21/50/91/619215091.db2.gz PKWKKFZQFSMSPM-OAHLLOKOSA-N 1 1 278.440 3.333 20 30 CGEDMO C[C@@H](C#N)C[NH2+]Cc1cccc(Oc2ccccn2)c1 ZINC000893543366 619215125 /nfs/dbraw/zinc/21/51/25/619215125.db2.gz AJSVXXZPCWSANU-ZDUSSCGKSA-N 1 1 267.332 3.123 20 30 CGEDMO C#CC[N@@H+](Cc1ocnc1C)[C@@H]1CCc2ccccc21 ZINC000893867037 619324610 /nfs/dbraw/zinc/32/46/10/619324610.db2.gz SUDMMGBTQPHSFF-MRXNPFEDSA-N 1 1 266.344 3.106 20 30 CGEDMO C#CC[N@H+](Cc1ocnc1C)[C@@H]1CCc2ccccc21 ZINC000893867037 619324612 /nfs/dbraw/zinc/32/46/12/619324612.db2.gz SUDMMGBTQPHSFF-MRXNPFEDSA-N 1 1 266.344 3.106 20 30 CGEDMO Cc1ncoc1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000893929400 619334648 /nfs/dbraw/zinc/33/46/48/619334648.db2.gz QNMDQVUGBOISHU-UHFFFAOYSA-N 1 1 267.332 3.019 20 30 CGEDMO Cc1ncoc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000893929400 619334653 /nfs/dbraw/zinc/33/46/53/619334653.db2.gz QNMDQVUGBOISHU-UHFFFAOYSA-N 1 1 267.332 3.019 20 30 CGEDMO C[C@]1(C(F)(F)F)CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000877812623 619417616 /nfs/dbraw/zinc/41/76/16/619417616.db2.gz RQIVLJFRDGVDLW-NSHDSACASA-N 1 1 274.311 3.394 20 30 CGEDMO C=CC[C@H](C)[N@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000878189582 619422739 /nfs/dbraw/zinc/42/27/39/619422739.db2.gz CWJFQHNPARVDHJ-SGMGOOAPSA-N 1 1 251.395 3.475 20 30 CGEDMO C=CCc1cc(C[N@H+]2CCSC[C@@H]2C)c(O)c(OC)c1 ZINC000178893458 619436429 /nfs/dbraw/zinc/43/64/29/619436429.db2.gz CYSJAKZRLSTNHP-LBPRGKRZSA-N 1 1 293.432 3.067 20 30 CGEDMO CC[N@@H+](Cc1csc(C#N)c1)[C@@H]1CCOC(C)(C)C1 ZINC000894535169 619567681 /nfs/dbraw/zinc/56/76/81/619567681.db2.gz JEFGCGIWYKUOPS-CYBMUJFWSA-N 1 1 278.421 3.399 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cs1 ZINC000894700828 619607681 /nfs/dbraw/zinc/60/76/81/619607681.db2.gz VPKJGQVYYSMKAA-ARFHVFGLSA-N 1 1 290.432 3.135 20 30 CGEDMO CC[C@H](C)CO[NH+]=Cc1cnc(N(CC)CC)s1 ZINC000793146045 619689049 /nfs/dbraw/zinc/68/90/49/619689049.db2.gz OMFBQFVTVLLZGC-NSHDSACASA-N 1 1 269.414 3.386 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2F)C1 ZINC000895078445 619716417 /nfs/dbraw/zinc/71/64/17/619716417.db2.gz QDGXNXIOMVITDK-ZDUSSCGKSA-N 1 1 291.366 3.078 20 30 CGEDMO CCn1cc(C[N@H+](Cc2csc(C#N)c2)C(C)C)cn1 ZINC000895160869 619760742 /nfs/dbraw/zinc/76/07/42/619760742.db2.gz OOLFFSFQCXHCRW-UHFFFAOYSA-N 1 1 288.420 3.247 20 30 CGEDMO CCn1cc(C[N@@H+](Cc2csc(C#N)c2)C(C)C)cn1 ZINC000895160869 619760743 /nfs/dbraw/zinc/76/07/43/619760743.db2.gz OOLFFSFQCXHCRW-UHFFFAOYSA-N 1 1 288.420 3.247 20 30 CGEDMO C[C@@]1(Br)C[C@H]1C[N@@H+]1Cc2ccc(C#N)cc2C1 ZINC000895215456 619783189 /nfs/dbraw/zinc/78/31/89/619783189.db2.gz OSZAIUUVNSOOHO-UONOGXRCSA-N 1 1 291.192 3.047 20 30 CGEDMO C[C@@]1(Br)C[C@H]1C[N@H+]1Cc2ccc(C#N)cc2C1 ZINC000895215456 619783192 /nfs/dbraw/zinc/78/31/92/619783192.db2.gz OSZAIUUVNSOOHO-UONOGXRCSA-N 1 1 291.192 3.047 20 30 CGEDMO C[C@@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000895378534 619816440 /nfs/dbraw/zinc/81/64/40/619816440.db2.gz QVGAGRMWOCXXES-YJBOKZPZSA-N 1 1 285.435 3.110 20 30 CGEDMO C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1Cc1ccc(C#N)cc1 ZINC000895378534 619816442 /nfs/dbraw/zinc/81/64/42/619816442.db2.gz QVGAGRMWOCXXES-YJBOKZPZSA-N 1 1 285.435 3.110 20 30 CGEDMO C#CC1(O)CC[NH+](Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000895384047 619818095 /nfs/dbraw/zinc/81/80/95/619818095.db2.gz HKVYCNITKGMSRC-UHFFFAOYSA-N 1 1 297.354 3.032 20 30 CGEDMO C[C@H]1[C@@H](Nc2cc(C#N)ccc2C(F)(F)F)CC[N@H+]1C ZINC000895740170 619878402 /nfs/dbraw/zinc/87/84/02/619878402.db2.gz LVWNXZIOKVVADI-CABZTGNLSA-N 1 1 283.297 3.082 20 30 CGEDMO C[C@@H]1Cc2cc(C[NH2+]Cc3cccc(F)c3C#N)ccc2O1 ZINC000896829107 620072841 /nfs/dbraw/zinc/07/28/41/620072841.db2.gz NQKJUMNDWNTFMO-GFCCVEGCSA-N 1 1 296.345 3.311 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)c2ccc(C)s2)CC1 ZINC000985222389 620140512 /nfs/dbraw/zinc/14/05/12/620140512.db2.gz MXUXYWGSQLNKAJ-UHFFFAOYSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)c2ccc(Cl)o2)CC1 ZINC000985268348 620149169 /nfs/dbraw/zinc/14/91/69/620149169.db2.gz AFNXDYCPCAMDQH-UHFFFAOYSA-N 1 1 296.798 3.046 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)c2sc(C)cc2C)CC1 ZINC000985450833 620192222 /nfs/dbraw/zinc/19/22/22/620192222.db2.gz ZXIBFLWOFPYGFV-UHFFFAOYSA-N 1 1 292.448 3.087 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)[C@]2(C)CCC[C@H]2CC)CC1 ZINC000985495728 620200115 /nfs/dbraw/zinc/20/01/15/620200115.db2.gz LYEIQKGARJQIJX-CRAIPNDOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)[C@@]2(C)CCC[C@H]2CC)CC1 ZINC000985495732 620200249 /nfs/dbraw/zinc/20/02/49/620200249.db2.gz LYEIQKGARJQIJX-QAPCUYQASA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Br)Cn1c[nH+]c2c1C[C@H](C)[C@@H](C)C2 ZINC000307545902 620206025 /nfs/dbraw/zinc/20/60/25/620206025.db2.gz KXCMNILNNSNPIP-IUCAKERBSA-N 1 1 269.186 3.163 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC([N@@H+](C)CC2CCCC2)CC1 ZINC000985570618 620213401 /nfs/dbraw/zinc/21/34/01/620213401.db2.gz HERLCHGJJAASBZ-UHFFFAOYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)c2cc3ccccc3o2)CC1 ZINC000989607349 620519260 /nfs/dbraw/zinc/51/92/60/620519260.db2.gz NGCNQBPXJWQMON-UHFFFAOYSA-N 1 1 298.386 3.157 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)c3ccccc3C)CCC[C@@H]12 ZINC000989923436 620532081 /nfs/dbraw/zinc/53/20/81/620532081.db2.gz WZTKQCIYGHQHRG-MJGOQNOKSA-N 1 1 298.430 3.298 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)C[C@@H]3C=CCC3)CCC[C@H]12 ZINC000989942755 620533241 /nfs/dbraw/zinc/53/32/41/620533241.db2.gz LWNTUHBIZSDWOZ-SOLBZPMBSA-N 1 1 288.435 3.032 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)C3=CCCC3)CCC[C@H]12 ZINC000990222756 620538908 /nfs/dbraw/zinc/53/89/08/620538908.db2.gz LVFBQLVWDVUGRV-WMZOPIPTSA-N 1 1 288.435 3.176 20 30 CGEDMO C=C(C)C[NH+]1CCC(NCc2ccccc2NCC)CC1 ZINC000902212439 621186188 /nfs/dbraw/zinc/18/61/88/621186188.db2.gz FBJGQKDLAKPGMN-UHFFFAOYSA-N 1 1 287.451 3.249 20 30 CGEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1csc(N)n1 ZINC000902498622 621345219 /nfs/dbraw/zinc/34/52/19/621345219.db2.gz GJOABNKCOKCTQW-HNNXBMFYSA-N 1 1 298.415 3.154 20 30 CGEDMO CC[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(C#N)c1 ZINC000902753584 621425468 /nfs/dbraw/zinc/42/54/68/621425468.db2.gz QLICAXSXARVVTG-KURKYZTESA-N 1 1 283.419 3.226 20 30 CGEDMO CC[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(C#N)c1 ZINC000902753584 621425475 /nfs/dbraw/zinc/42/54/75/621425475.db2.gz QLICAXSXARVVTG-KURKYZTESA-N 1 1 283.419 3.226 20 30 CGEDMO COc1cc(C)ccc1C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902836237 621468551 /nfs/dbraw/zinc/46/85/51/621468551.db2.gz FFXAAQHRJJYXDB-CYBMUJFWSA-N 1 1 281.359 3.121 20 30 CGEDMO CCC1(CC(N)=[NH+]OCCCCC2(C#N)CCC2)COC1 ZINC000902869822 621473963 /nfs/dbraw/zinc/47/39/63/621473963.db2.gz CZQWGJINHCRWAE-UHFFFAOYSA-N 1 1 293.411 3.166 20 30 CGEDMO CC(=NOCCCn1cc[nH+]c1C)c1ccc(F)cc1 ZINC000902855851 621477209 /nfs/dbraw/zinc/47/72/09/621477209.db2.gz ABBYGOQVNYOVLF-UHFFFAOYSA-N 1 1 275.327 3.162 20 30 CGEDMO CCc1ncc(C[NH2+][C@H](CC)c2cccc(C#N)c2)o1 ZINC000903011035 621533001 /nfs/dbraw/zinc/53/30/01/621533001.db2.gz AJGAQUJYCPCAEZ-OAHLLOKOSA-N 1 1 269.348 3.350 20 30 CGEDMO CC[C@@H]([NH2+]CC(C)(C)C#N)c1ccc(F)cc1O ZINC000903101576 621573813 /nfs/dbraw/zinc/57/38/13/621573813.db2.gz JDUUMKZJJGFPQZ-GFCCVEGCSA-N 1 1 250.317 3.122 20 30 CGEDMO COc1ccc([C@@H](C)[NH2+]CC(C)(C)C#N)c(C)c1OC ZINC000903102026 621574503 /nfs/dbraw/zinc/57/45/03/621574503.db2.gz PYVQIPJNWVQYQF-GFCCVEGCSA-N 1 1 276.380 3.213 20 30 CGEDMO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC1(C#N)CC1 ZINC000903106342 621580871 /nfs/dbraw/zinc/58/08/71/621580871.db2.gz OALPDZOGOAWXCT-AWEZNQCLSA-N 1 1 256.349 3.102 20 30 CGEDMO COc1ccsc1[C@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000903109473 621583184 /nfs/dbraw/zinc/58/31/84/621583184.db2.gz PMYVGQBZIUZOSK-NSHDSACASA-N 1 1 264.394 3.491 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CCCC1)c1ccc(C#N)c(F)c1 ZINC000903109898 621584083 /nfs/dbraw/zinc/58/40/83/621584083.db2.gz WXKPZOOWIVUJHA-LBPRGKRZSA-N 1 1 271.339 3.432 20 30 CGEDMO CCC[C@@H]([NH2+]Cc1nc(C#N)cs1)c1cccnc1 ZINC000903263495 621648757 /nfs/dbraw/zinc/64/87/57/621648757.db2.gz NKSSKAJVVBQUPK-CYBMUJFWSA-N 1 1 272.377 3.041 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccc(C)c(OC)c2)no1 ZINC000904557613 621930067 /nfs/dbraw/zinc/93/00/67/621930067.db2.gz IIYVPWHCFPSZLK-ZDUSSCGKSA-N 1 1 287.363 3.410 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(Cc2cccc(OC)c2)no1 ZINC000904552834 621933508 /nfs/dbraw/zinc/93/35/08/621933508.db2.gz SAYXRCOERRKQOI-AWEZNQCLSA-N 1 1 287.363 3.025 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc([C@@H]2CCC(F)(F)C2)no1 ZINC000904713298 621960529 /nfs/dbraw/zinc/96/05/29/621960529.db2.gz TVFIDKMLJYSSDN-ZJUUUORDSA-N 1 1 271.311 3.329 20 30 CGEDMO COc1cccc(Cl)c1C[NH2+]CC#Cc1ccccc1 ZINC000227659419 623027200 /nfs/dbraw/zinc/02/72/00/623027200.db2.gz NHYNACULHACSRI-UHFFFAOYSA-N 1 1 285.774 3.490 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC3(C)C)CCC[C@@H]12 ZINC000992117871 623440258 /nfs/dbraw/zinc/44/02/58/623440258.db2.gz JHUGJRLMKBGFSQ-HDMKZQKVSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCCC3(C)C)CCC[C@H]12 ZINC000992120953 623441567 /nfs/dbraw/zinc/44/15/67/623441567.db2.gz VJNDZNBMUFDBLB-RLFYNMQTSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992164608 623458513 /nfs/dbraw/zinc/45/85/13/623458513.db2.gz YMFGVLVJDAGXAW-RVKKMQEKSA-N 1 1 290.451 3.112 20 30 CGEDMO C[N@@H+](CCCCC1(C#N)CCC1)[C@@H]1CCN(C2CC2)C1 ZINC000929624806 623484645 /nfs/dbraw/zinc/48/46/45/623484645.db2.gz UDVHDJXCIXHYAS-MRXNPFEDSA-N 1 1 275.440 3.019 20 30 CGEDMO CCCCCCCC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000915627078 624015773 /nfs/dbraw/zinc/01/57/73/624015773.db2.gz AFSVBSGOBJYAQR-HNNXBMFYSA-N 1 1 268.445 3.338 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)sc2C)[C@H]1C ZINC000993562122 624053594 /nfs/dbraw/zinc/05/35/94/624053594.db2.gz BXMKBSMZLVHREF-IUODEOHRSA-N 1 1 292.448 3.134 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)co2)[C@H]1C ZINC000993710694 624056923 /nfs/dbraw/zinc/05/69/23/624056923.db2.gz VFAOAGPFWCGUHU-HUUCEWRRSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)c2cc(Cl)cs2)[C@@H]1C ZINC000993913059 624065238 /nfs/dbraw/zinc/06/52/38/624065238.db2.gz FFGLQONHMURKJN-CMPLNLGQSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(Cl)cs2)[C@@H]1C ZINC000993913059 624065242 /nfs/dbraw/zinc/06/52/42/624065242.db2.gz FFGLQONHMURKJN-CMPLNLGQSA-N 1 1 298.839 3.170 20 30 CGEDMO CCON=C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000915958076 624079764 /nfs/dbraw/zinc/07/97/64/624079764.db2.gz LEHBHKRCDWKJMI-UHFFFAOYSA-N 1 1 266.772 3.328 20 30 CGEDMO C[C@H]1CN(c2ccccc2C=[NH+]Nc2ccccc2)CCO1 ZINC000915932842 624080584 /nfs/dbraw/zinc/08/05/84/624080584.db2.gz DJMYAJGUMNRFBY-HNNXBMFYSA-N 1 1 295.386 3.358 20 30 CGEDMO CCN(CCO)c1ccc(C=[NH+]Nc2ccccc2)c(C)c1 ZINC000916246011 624130430 /nfs/dbraw/zinc/13/04/30/624130430.db2.gz TXPHTFIXNQRIHV-UHFFFAOYSA-N 1 1 297.402 3.260 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C)cc2)[C@H]1C ZINC000994274038 624196638 /nfs/dbraw/zinc/19/66/38/624196638.db2.gz GUNOVKHGBHWEFO-NVXWUHKLSA-N 1 1 286.419 3.154 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C)c2C)[C@@H]1C ZINC000994327609 624205403 /nfs/dbraw/zinc/20/54/03/624205403.db2.gz LBJPOTPQGPFBCI-DOTOQJQBSA-N 1 1 286.419 3.072 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C3CC3)cc2)[C@H]1C ZINC000994457646 624230743 /nfs/dbraw/zinc/23/07/43/624230743.db2.gz YDYXIRFODTXHIN-RDTXWAMCSA-N 1 1 298.430 3.333 20 30 CGEDMO C=CC[N@@H+](Cc1nnc(-c2ccc(OC)cc2)o1)C(C)C ZINC000917071518 624233983 /nfs/dbraw/zinc/23/39/83/624233983.db2.gz UJZWDUFMFNITJV-UHFFFAOYSA-N 1 1 287.363 3.142 20 30 CGEDMO C=CC[N@H+](Cc1nnc(-c2ccc(OC)cc2)o1)C(C)C ZINC000917071518 624233984 /nfs/dbraw/zinc/23/39/84/624233984.db2.gz UJZWDUFMFNITJV-UHFFFAOYSA-N 1 1 287.363 3.142 20 30 CGEDMO C#CC[N@@H+](C[C@@H]1CCCCO1)[C@H]1CCc2ccccc21 ZINC000917117236 624242790 /nfs/dbraw/zinc/24/27/90/624242790.db2.gz GDRHPIYRAPJZSK-WMZOPIPTSA-N 1 1 269.388 3.178 20 30 CGEDMO Fc1cccc(N=NC2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000920385383 624487434 /nfs/dbraw/zinc/48/74/34/624487434.db2.gz BRJUJOPTWMIKPT-UHFFFAOYSA-N 1 1 283.350 3.500 20 30 CGEDMO Cc1[nH+]c(C=NNc2cccc(F)c2)c2ccccn12 ZINC000920385818 624487929 /nfs/dbraw/zinc/48/79/29/624487929.db2.gz HXONJLNBYPGQNT-UHFFFAOYSA-N 1 1 268.295 3.228 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](N(CC)C(=O)c2ccco2)CC1 ZINC000997893640 625763626 /nfs/dbraw/zinc/76/36/26/625763626.db2.gz JDNNHMUHWBFYBP-HNNXBMFYSA-N 1 1 290.407 3.172 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[C@@H]2C)CC1 ZINC000998105625 625789428 /nfs/dbraw/zinc/78/94/28/625789428.db2.gz ZPYLROUXNNFZLH-CFVMTHIKSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)c2cc(C)cc(C)c2)CC1 ZINC001001400750 625895317 /nfs/dbraw/zinc/89/53/17/625895317.db2.gz ZVJRJGIJQQVNJT-UHFFFAOYSA-N 1 1 298.430 3.241 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)C2CCC(=C)CC2)CC1 ZINC001003551930 625983164 /nfs/dbraw/zinc/98/31/64/625983164.db2.gz UZLUDQLMVSSPPQ-UHFFFAOYSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@@]2(C)CCC[C@@H]2C)CC1 ZINC001003576131 625983695 /nfs/dbraw/zinc/98/36/95/625983695.db2.gz RTKDHHWCPYKEEK-LRDDRELGSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2C[C@@]2(C)C(C)C)CC1 ZINC001003882925 625995380 /nfs/dbraw/zinc/99/53/80/625995380.db2.gz YRBPUJLMVLUUJM-ZBFHGGJFSA-N 1 1 298.858 3.002 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)c2ccccc2)CC1 ZINC001004337541 626040982 /nfs/dbraw/zinc/04/09/82/626040982.db2.gz XMCSJWLULKNVOX-GOSISDBHSA-N 1 1 298.430 3.189 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)C)CC1 ZINC001004598532 626066028 /nfs/dbraw/zinc/06/60/28/626066028.db2.gz CMSDOMPKFXBFKJ-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc(C)nnc1C ZINC000929363727 626133543 /nfs/dbraw/zinc/13/35/43/626133543.db2.gz JVPOMDAXCGVUEK-UHFFFAOYSA-N 1 1 292.386 3.153 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc(C)nnc1C ZINC000929363727 626133544 /nfs/dbraw/zinc/13/35/44/626133544.db2.gz JVPOMDAXCGVUEK-UHFFFAOYSA-N 1 1 292.386 3.153 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000839088246 626312841 /nfs/dbraw/zinc/31/28/41/626312841.db2.gz AYMCSDZYSQWBSC-KGLIPLIRSA-N 1 1 282.428 3.045 20 30 CGEDMO N#CC1(CC[N@H+]2CCCC[C@@H]2C2OCCO2)CCCCC1 ZINC000839481120 626355169 /nfs/dbraw/zinc/35/51/69/626355169.db2.gz OCVDJYUCOWFWJV-OAHLLOKOSA-N 1 1 292.423 3.078 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000886364210 626360645 /nfs/dbraw/zinc/36/06/45/626360645.db2.gz RWNXNFWIZMSOBJ-LBPRGKRZSA-N 1 1 258.752 3.057 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000886364210 626360648 /nfs/dbraw/zinc/36/06/48/626360648.db2.gz RWNXNFWIZMSOBJ-LBPRGKRZSA-N 1 1 258.752 3.057 20 30 CGEDMO C=C(Cl)CN1CCC[C@@H]([N@@H+](C)CC(=C)Cl)CC1 ZINC000839529344 626362850 /nfs/dbraw/zinc/36/28/50/626362850.db2.gz VCWNPMKAGUJXSF-CYBMUJFWSA-N 1 1 277.239 3.278 20 30 CGEDMO C=C(Cl)CN(C)[C@@H]1CCC[N@H+](CC(=C)Cl)CC1 ZINC000839529344 626362852 /nfs/dbraw/zinc/36/28/52/626362852.db2.gz VCWNPMKAGUJXSF-CYBMUJFWSA-N 1 1 277.239 3.278 20 30 CGEDMO C=C(Cl)CN(C)[C@@H]1CCC[N@@H+](CC(=C)Cl)CC1 ZINC000839529344 626362855 /nfs/dbraw/zinc/36/28/55/626362855.db2.gz VCWNPMKAGUJXSF-CYBMUJFWSA-N 1 1 277.239 3.278 20 30 CGEDMO C[C@H]1C[N@@H+](C)CC1N=Nc1nc(-c2ccccc2)cs1 ZINC000752163439 626420468 /nfs/dbraw/zinc/42/04/68/626420468.db2.gz WJJUICOBWNXYHH-NSHDSACASA-N 1 1 286.404 3.160 20 30 CGEDMO CC(C)[N@@H+]1CC(N=Nc2ccc(F)cc2F)[C@H](C)C1 ZINC000754255765 626565167 /nfs/dbraw/zinc/56/51/67/626565167.db2.gz SCRSSHWFYBEOLK-SNVBAGLBSA-N 1 1 267.323 3.093 20 30 CGEDMO CC(C)[N@@H+]1CC(N=Nc2cc(F)c(F)c(F)c2)[C@H](C)C1 ZINC000754258507 626565217 /nfs/dbraw/zinc/56/52/17/626565217.db2.gz KWZSALPDOFAGJA-SECBINFHSA-N 1 1 285.313 3.232 20 30 CGEDMO C=CC[N@@H+](CC(=O)c1cc(C)n(CC)c1C)C(C)C ZINC000754640344 626580228 /nfs/dbraw/zinc/58/02/28/626580228.db2.gz NIHHCLZBHUSTFU-UHFFFAOYSA-N 1 1 262.397 3.204 20 30 CGEDMO C=CC[N@H+](CC(=O)c1cc(C)n(CC)c1C)C(C)C ZINC000754640344 626580230 /nfs/dbraw/zinc/58/02/30/626580230.db2.gz NIHHCLZBHUSTFU-UHFFFAOYSA-N 1 1 262.397 3.204 20 30 CGEDMO CCCCCCCCNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000755075558 626599440 /nfs/dbraw/zinc/59/94/40/626599440.db2.gz NZVUULNWIGTEQO-HOTGVXAUSA-N 1 1 297.487 3.329 20 30 CGEDMO C#CC[C@H](Nc1nc(N2CCCC2)cc[nH+]1)c1ccccc1 ZINC000756957373 626743713 /nfs/dbraw/zinc/74/37/13/626743713.db2.gz ONMFKHDCRNFZRP-INIZCTEOSA-N 1 1 292.386 3.253 20 30 CGEDMO C#CCCOc1ccc(C[N@H+](CC=C)C2CC2)cc1 ZINC000757922656 626814859 /nfs/dbraw/zinc/81/48/59/626814859.db2.gz AYJFYJWNLXAEHB-UHFFFAOYSA-N 1 1 255.361 3.239 20 30 CGEDMO C[N@H+]1CCCC(N=Nc2ncc(Cl)cc2Cl)CC1 ZINC000758099348 626826922 /nfs/dbraw/zinc/82/69/22/626826922.db2.gz JVQRSXKQJBJNOR-UHFFFAOYSA-N 1 1 287.194 3.272 20 30 CGEDMO C[N@H+]1CCCC(N=Nc2nc(C(F)(F)F)cs2)CC1 ZINC000758119503 626828046 /nfs/dbraw/zinc/82/80/46/626828046.db2.gz XTFGKUILNNSAMI-UHFFFAOYSA-N 1 1 292.330 3.046 20 30 CGEDMO c1ccc(C[N@@H+]2C[C@@H]3C(=NNC4CC4)CCC[C@@H]3C2)cc1 ZINC000758127085 626829075 /nfs/dbraw/zinc/82/90/75/626829075.db2.gz KODLTKKBZGBEGN-WBVHZDCISA-N 1 1 283.419 3.027 20 30 CGEDMO CC[N@H+]1CCC(=NOCc2ccc(F)cc2)[C@@H](C)C1 ZINC000758143591 626830666 /nfs/dbraw/zinc/83/06/66/626830666.db2.gz HMIXVZBVXFHPAZ-LBPRGKRZSA-N 1 1 264.344 3.060 20 30 CGEDMO CC(C)[C@H](c1ccccc1)[N@@H+](C)Cn1cccc(C#N)c1=O ZINC000758227374 626833684 /nfs/dbraw/zinc/83/36/84/626833684.db2.gz VKECNOVDPMUNRQ-QGZVFWFLSA-N 1 1 295.386 3.007 20 30 CGEDMO CCCCCCCCCC[N@@H+]1CCc2n[nH]nc2C1 ZINC000759523286 626904402 /nfs/dbraw/zinc/90/44/02/626904402.db2.gz UPDKEGLOILXSJM-UHFFFAOYSA-N 1 1 264.417 3.304 20 30 CGEDMO CCCCCCCCCC[N@H+]1CCc2n[nH]nc2C1 ZINC000759523286 626904403 /nfs/dbraw/zinc/90/44/03/626904403.db2.gz UPDKEGLOILXSJM-UHFFFAOYSA-N 1 1 264.417 3.304 20 30 CGEDMO C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)[C@@H]2CCCC[C@H]12 ZINC000763233074 627145984 /nfs/dbraw/zinc/14/59/84/627145984.db2.gz YCRYEPBBZVGGSI-AXUOBQJMSA-N 1 1 298.430 3.492 20 30 CGEDMO CCC(=[NH+]OCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000764846214 627229078 /nfs/dbraw/zinc/22/90/78/627229078.db2.gz FLSYMQOIQVJGOV-UHFFFAOYSA-N 1 1 274.286 3.446 20 30 CGEDMO CCC#C[C@H](C)[N@@H+](CC)C[C@H](O)c1ccc(C)cc1 ZINC000765498344 627253694 /nfs/dbraw/zinc/25/36/94/627253694.db2.gz AXMFVKGBPPSUFO-RDJZCZTQSA-N 1 1 259.393 3.152 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@@H]1Cc1ccccc1OC ZINC000766895205 627367619 /nfs/dbraw/zinc/36/76/19/627367619.db2.gz JZZMSKISZXFIKL-MRXNPFEDSA-N 1 1 257.377 3.116 20 30 CGEDMO C#CCCC[N@H+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000766905927 627369056 /nfs/dbraw/zinc/36/90/56/627369056.db2.gz NEZNLLJISVMLMG-OAHLLOKOSA-N 1 1 296.455 3.271 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000767116558 627383852 /nfs/dbraw/zinc/38/38/52/627383852.db2.gz ASBKHZFKMHFPKC-INIZCTEOSA-N 1 1 283.371 3.242 20 30 CGEDMO C#CCCC[N@H+](Cc1ccnc(OC(C)C)c1)C1CC1 ZINC000767460057 627409814 /nfs/dbraw/zinc/40/98/14/627409814.db2.gz LMORKVWCVKUNHK-UHFFFAOYSA-N 1 1 272.392 3.247 20 30 CGEDMO N#Cc1ccc(C2=CC[N@H+](C/C=C\Cl)CC2)cc1 ZINC000767726037 627432798 /nfs/dbraw/zinc/43/27/98/627432798.db2.gz XVOISIGMBBLJEX-QPIMQUGISA-N 1 1 258.752 3.400 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](C/C=C\Cl)CC2)cc1 ZINC000767726037 627432801 /nfs/dbraw/zinc/43/28/01/627432801.db2.gz XVOISIGMBBLJEX-QPIMQUGISA-N 1 1 258.752 3.400 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2C[C@H](C)OC[C@@H]2CC)cc1 ZINC000768172463 627465768 /nfs/dbraw/zinc/46/57/68/627465768.db2.gz PSCWJSNANOMQSW-RDJZCZTQSA-N 1 1 287.403 3.088 20 30 CGEDMO CC(C)[C@@H](C)[N@@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000768269967 627471504 /nfs/dbraw/zinc/47/15/04/627471504.db2.gz STADKMHAAGDEEJ-UONOGXRCSA-N 1 1 260.381 3.454 20 30 CGEDMO C=CC[N@@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C(C)C ZINC000768548053 627486110 /nfs/dbraw/zinc/48/61/10/627486110.db2.gz VJYDWYYCMQEWRW-UHFFFAOYSA-N 1 1 294.351 3.008 20 30 CGEDMO C=CC[N@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C(C)C ZINC000768548053 627486115 /nfs/dbraw/zinc/48/61/15/627486115.db2.gz VJYDWYYCMQEWRW-UHFFFAOYSA-N 1 1 294.351 3.008 20 30 CGEDMO C=CC[N@H+](Cc1c[nH]nc1-c1ccc(OC)cc1)C(C)C ZINC000768551692 627486762 /nfs/dbraw/zinc/48/67/62/627486762.db2.gz RQHZODBCJPBVOW-UHFFFAOYSA-N 1 1 285.391 3.482 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccc(OC)c2ccccc12 ZINC000769110886 627523096 /nfs/dbraw/zinc/52/30/96/627523096.db2.gz JSQKFKKBFUOAGN-UHFFFAOYSA-N 1 1 253.345 3.304 20 30 CGEDMO C#CC[N@H+](Cc1c(O)cccc1OC)C1CCCCC1 ZINC000769146402 627525964 /nfs/dbraw/zinc/52/59/64/627525964.db2.gz VRMVTRRPFUONJP-UHFFFAOYSA-N 1 1 273.376 3.169 20 30 CGEDMO Cc1cccc2c1CC[N@H+](Cc1cc(C#N)cs1)C2 ZINC000769338013 627543576 /nfs/dbraw/zinc/54/35/76/627543576.db2.gz JZGVVNNMDQDYHL-UHFFFAOYSA-N 1 1 268.385 3.487 20 30 CGEDMO Cc1cccc2c1CC[N@@H+](Cc1cc(C#N)cs1)C2 ZINC000769338013 627543579 /nfs/dbraw/zinc/54/35/79/627543579.db2.gz JZGVVNNMDQDYHL-UHFFFAOYSA-N 1 1 268.385 3.487 20 30 CGEDMO C=CC[C@@H]1[N@@H+](CC(OCC)OCC)CCCC1(C)C ZINC000769954470 627592425 /nfs/dbraw/zinc/59/24/25/627592425.db2.gz TTZLWZAFXWLGTQ-AWEZNQCLSA-N 1 1 269.429 3.452 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000769960985 627593138 /nfs/dbraw/zinc/59/31/38/627593138.db2.gz JUDTULNUHGPOMZ-NSHDSACASA-N 1 1 271.282 3.038 20 30 CGEDMO C=CC[N@H+](CC1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000772382334 627788956 /nfs/dbraw/zinc/78/89/56/627788956.db2.gz PUCUHLFPORUHNH-UHFFFAOYSA-N 1 1 294.439 3.284 20 30 CGEDMO C=CC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000772379711 627788967 /nfs/dbraw/zinc/78/89/67/627788967.db2.gz AFRMSMZYZIQUSO-UHFFFAOYSA-N 1 1 266.728 3.399 20 30 CGEDMO C=C(CC)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000773456070 627885101 /nfs/dbraw/zinc/88/51/01/627885101.db2.gz IVEPQVMJERNMBN-INIZCTEOSA-N 1 1 275.392 3.339 20 30 CGEDMO C(=[NH+]OC1CCOCC1)c1ccc(N2CCCCC2)s1 ZINC000774445304 627991227 /nfs/dbraw/zinc/99/12/27/627991227.db2.gz TXQIOVXJLLBFSQ-UHFFFAOYSA-N 1 1 294.420 3.268 20 30 CGEDMO C=CC[N@H+](C[C@@H](O)c1ccc(Cl)cc1)C1CC1 ZINC000774777330 628027423 /nfs/dbraw/zinc/02/74/23/628027423.db2.gz WFPIMXGHEVTYNG-CQSZACIVSA-N 1 1 251.757 3.024 20 30 CGEDMO Cc1cc(C[N@@H+](CCC#N)CC(C)C)ccc1C#N ZINC000774820723 628034935 /nfs/dbraw/zinc/03/49/35/628034935.db2.gz NVFRWLDKTCFRDV-UHFFFAOYSA-N 1 1 255.365 3.238 20 30 CGEDMO Cc1cc(C[N@H+](CCC#N)CC(C)C)ccc1C#N ZINC000774820723 628034939 /nfs/dbraw/zinc/03/49/39/628034939.db2.gz NVFRWLDKTCFRDV-UHFFFAOYSA-N 1 1 255.365 3.238 20 30 CGEDMO C=CC[C@H](C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C)c1ccccc1 ZINC000874833366 634628777 /nfs/dbraw/zinc/62/87/77/634628777.db2.gz KTEJJAVXANCWAM-OKZBNKHCSA-N 1 1 298.430 3.041 20 30 CGEDMO N#CC1(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccco2)CC1 ZINC000775977254 628155057 /nfs/dbraw/zinc/15/50/57/628155057.db2.gz YMTHAFXPNMNICW-CABCVRRESA-N 1 1 288.391 3.251 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CC1N=Nc1ccccn1 ZINC000776178674 628176796 /nfs/dbraw/zinc/17/67/96/628176796.db2.gz BGZKLBAJZDXIED-HNNXBMFYSA-N 1 1 294.402 3.392 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000776851216 628236709 /nfs/dbraw/zinc/23/67/09/628236709.db2.gz WYCNMNCAPOTVTI-CYBMUJFWSA-N 1 1 256.434 3.192 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)C[C@H](O)c1ccc(C)cc1 ZINC000778996001 628381528 /nfs/dbraw/zinc/38/15/28/628381528.db2.gz IWZAZTXDYGWDRK-SFHVURJKSA-N 1 1 285.387 3.352 20 30 CGEDMO Cc1ccccc1C(=NNc1cc[nH+]cc1)C1CC1 ZINC000779810142 628433859 /nfs/dbraw/zinc/43/38/59/628433859.db2.gz WRSLWSCKZGHQQO-UHFFFAOYSA-N 1 1 251.333 3.038 20 30 CGEDMO CC(=NNc1cc[nH+]cc1)c1sc(C(C)C)nc1C ZINC000779811877 628434458 /nfs/dbraw/zinc/43/44/58/628434458.db2.gz MCFRXBKDECIREX-UHFFFAOYSA-N 1 1 274.393 3.228 20 30 CGEDMO COC(=O)c1cccc(N[NH+]=C(C)c2ccc(N)cc2C)c1 ZINC000779826132 628436486 /nfs/dbraw/zinc/43/64/86/628436486.db2.gz FTINNQHMCGANRQ-UHFFFAOYSA-N 1 1 297.358 3.200 20 30 CGEDMO C#CCCCCCC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000780379157 628485205 /nfs/dbraw/zinc/48/52/05/628485205.db2.gz UZAJMVPNYFWCDS-QGZVFWFLSA-N 1 1 292.467 3.341 20 30 CGEDMO C#CCC[NH+]1CCN(C(=O)[C@](C)(CC)CCCCC)CC1 ZINC000780537440 628496950 /nfs/dbraw/zinc/49/69/50/628496950.db2.gz ZBOGHUBSJIYNLE-GOSISDBHSA-N 1 1 292.467 3.151 20 30 CGEDMO C=C(Cl)C[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000781903406 628603985 /nfs/dbraw/zinc/60/39/85/628603985.db2.gz AGJNHDZKYOVYRQ-LBPRGKRZSA-N 1 1 255.720 3.382 20 30 CGEDMO CC(C)[C@@H]1CCC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000781983297 628608211 /nfs/dbraw/zinc/60/82/11/628608211.db2.gz SFODMNXJJBWPNT-MRXNPFEDSA-N 1 1 272.392 3.457 20 30 CGEDMO COc1ccc(N=NC2CCC[N@@H+](C)CC2)cc1Cl ZINC000782231517 628628310 /nfs/dbraw/zinc/62/83/10/628628310.db2.gz UMAUYXUUUKLORD-UHFFFAOYSA-N 1 1 281.787 3.232 20 30 CGEDMO Cc1ccc([C@@H]([NH2+]Cc2ccc(C#N)cn2)C2CCC2)o1 ZINC000783295039 628700282 /nfs/dbraw/zinc/70/02/82/628700282.db2.gz XUPKWSKNOFYTAM-KRWDZBQOSA-N 1 1 281.359 3.486 20 30 CGEDMO C[N@@H+](Cc1ccc(CC#N)cc1)Cc1ccccc1O ZINC000784179584 628791352 /nfs/dbraw/zinc/79/13/52/628791352.db2.gz YKWCSDUYFWQPCT-UHFFFAOYSA-N 1 1 266.344 3.090 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000784504523 628817586 /nfs/dbraw/zinc/81/75/86/628817586.db2.gz JJVGAHFPQWNAPJ-ZNMIVQPWSA-N 1 1 294.439 3.188 20 30 CGEDMO C#CCCC[N@@H+](CCN1CCCCCC1)C1CCC1 ZINC000805789204 628892750 /nfs/dbraw/zinc/89/27/50/628892750.db2.gz YCQZNRUHZOTMDQ-UHFFFAOYSA-N 1 1 262.441 3.130 20 30 CGEDMO C#CCCCN(CC[NH+]1CCCCCC1)C1CCC1 ZINC000805789204 628892751 /nfs/dbraw/zinc/89/27/51/628892751.db2.gz YCQZNRUHZOTMDQ-UHFFFAOYSA-N 1 1 262.441 3.130 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1cnc(Cl)cn1 ZINC000788476949 629057090 /nfs/dbraw/zinc/05/70/90/629057090.db2.gz UEKCBUHHVGGWOM-UHFFFAOYSA-N 1 1 287.794 3.361 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1cc(OC)cc(C(F)(F)F)c1 ZINC000862348565 629346045 /nfs/dbraw/zinc/34/60/45/629346045.db2.gz BLXMNJKFLGSKQA-SNVBAGLBSA-N 1 1 271.282 3.168 20 30 CGEDMO CCCCCCCCC[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000792235913 629351303 /nfs/dbraw/zinc/35/13/03/629351303.db2.gz GFUISEMADFCBFS-HNNXBMFYSA-N 1 1 268.445 3.324 20 30 CGEDMO CCCCCCCCC[N@@H+]1CCn2nc(C)nc2C1 ZINC000792234480 629351615 /nfs/dbraw/zinc/35/16/15/629351615.db2.gz AXIFCVXKUQJJOQ-UHFFFAOYSA-N 1 1 264.417 3.153 20 30 CGEDMO CCCCCCCCC[N@H+]1CCn2nc(C)nc2C1 ZINC000792234480 629351618 /nfs/dbraw/zinc/35/16/18/629351618.db2.gz AXIFCVXKUQJJOQ-UHFFFAOYSA-N 1 1 264.417 3.153 20 30 CGEDMO CCCCCCCCC[N@H+]1CCOC[C@@H]1C[C@@H](C)O ZINC000792292250 629354935 /nfs/dbraw/zinc/35/49/35/629354935.db2.gz VVYGJSQKWJTAIZ-CVEARBPZSA-N 1 1 271.445 3.209 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2occc2Br)C1 ZINC000862441120 629373473 /nfs/dbraw/zinc/37/34/73/629373473.db2.gz ORWHXNYCUDDJDL-SNVBAGLBSA-N 1 1 270.170 3.440 20 30 CGEDMO C#CC[C@H]1CC[N@H+](C/C=C\c2ccccc2OC)C1 ZINC000862444489 629377529 /nfs/dbraw/zinc/37/75/29/629377529.db2.gz AVFWGOAURNRCQB-AJHXJQRKSA-N 1 1 255.361 3.054 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2ccnc(Cl)c2Cl)C1 ZINC000862445250 629377842 /nfs/dbraw/zinc/37/78/42/629377842.db2.gz PEPYRKOXQGVMGD-JTQLQIEISA-N 1 1 269.175 3.234 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccnc(Cl)c2Cl)C1 ZINC000862445250 629377846 /nfs/dbraw/zinc/37/78/46/629377846.db2.gz PEPYRKOXQGVMGD-JTQLQIEISA-N 1 1 269.175 3.234 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC000862444927 629378011 /nfs/dbraw/zinc/37/80/11/629378011.db2.gz IZSAGYYPOMQSNF-NSHDSACASA-N 1 1 251.732 3.324 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000862444640 629378640 /nfs/dbraw/zinc/37/86/40/629378640.db2.gz DYUHGKROAIEYKE-BAAYTWLHSA-N 1 1 284.359 3.343 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(C)cc2-c2cnn(C)c2)C1 ZINC000862447782 629380436 /nfs/dbraw/zinc/38/04/36/629380436.db2.gz QXXBUSSZAURCIZ-INIZCTEOSA-N 1 1 293.414 3.241 20 30 CGEDMO CCCCCCCNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000875765763 634731626 /nfs/dbraw/zinc/73/16/26/634731626.db2.gz YTOFUYOSVHAQKR-HOTGVXAUSA-N 1 1 297.487 3.471 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)o1 ZINC000862529509 629391719 /nfs/dbraw/zinc/39/17/19/629391719.db2.gz UGXLBVUAUNULQT-JCGIZDLHSA-N 1 1 278.355 3.387 20 30 CGEDMO CCCCCCC[N@H+]1CCCC[C@@H]1CC(=O)NCC ZINC000792930509 629395375 /nfs/dbraw/zinc/39/53/75/629395375.db2.gz HKXPXTDAKYPOQV-OAHLLOKOSA-N 1 1 268.445 3.338 20 30 CGEDMO CN1c2ccccc2C(C)(C)/C1=C/C=[NH+]n1cccn1 ZINC000863166290 629488024 /nfs/dbraw/zinc/48/80/24/629488024.db2.gz WXGPGCMWGYVKAK-FEFHTSIYSA-N 1 1 266.348 3.029 20 30 CGEDMO CCCCCCCC[N@@H+](C)[C@H]1CC(C)(C)OC1=O ZINC000795662310 629706927 /nfs/dbraw/zinc/70/69/27/629706927.db2.gz SDRJLMWPIZLZCU-ZDUSSCGKSA-N 1 1 255.402 3.373 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1cccc2nsnc21 ZINC000796634139 629808171 /nfs/dbraw/zinc/80/81/71/629808171.db2.gz ZBNHZCJLVBIADQ-UHFFFAOYSA-N 1 1 293.395 3.327 20 30 CGEDMO CCCCCCC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21 ZINC000796856941 629849023 /nfs/dbraw/zinc/84/90/23/629849023.db2.gz OMSSDWKKDHMKCA-BZUAXINKSA-N 1 1 252.446 3.419 20 30 CGEDMO N#Cc1ccc(F)c(C[NH2+][C@@H]2CCCc3cccnc32)c1 ZINC000798930103 630125926 /nfs/dbraw/zinc/12/59/26/630125926.db2.gz JMOSKDRCILJCFW-MRXNPFEDSA-N 1 1 281.334 3.260 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3ccccn3)C2)c(F)c1 ZINC000798963430 630129149 /nfs/dbraw/zinc/12/91/49/630129149.db2.gz BVOQVVIWCFDWRD-OAHLLOKOSA-N 1 1 281.334 3.082 20 30 CGEDMO CC(=[NH+]Nc1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000799103778 630142778 /nfs/dbraw/zinc/14/27/78/630142778.db2.gz GPGNHLMLDIMEFI-UHFFFAOYSA-N 1 1 288.282 3.152 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CC[C@@H](c3ccccn3)C2)cc1 ZINC000799192119 630155505 /nfs/dbraw/zinc/15/55/05/630155505.db2.gz CLGCYDRCANMYRT-MRXNPFEDSA-N 1 1 280.346 3.062 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000800408202 630274775 /nfs/dbraw/zinc/27/47/75/630274775.db2.gz ZCSNKHGQWAPMEG-UHFFFAOYSA-N 1 1 276.811 3.266 20 30 CGEDMO CCCC[N@@H+](Cc1ccnc(C#N)c1)Cc1ccccc1O ZINC000801595758 630346553 /nfs/dbraw/zinc/34/65/53/630346553.db2.gz RZLOBLQIQZQFLY-UHFFFAOYSA-N 1 1 295.386 3.461 20 30 CGEDMO CCOc1ccc(C[N@@H+](CCO[C@@H](C)C#N)C(C)C)cc1 ZINC000801913458 630364829 /nfs/dbraw/zinc/36/48/29/630364829.db2.gz FBJOQAHFLQPLGK-HNNXBMFYSA-N 1 1 290.407 3.224 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000801916021 630366016 /nfs/dbraw/zinc/36/60/16/630366016.db2.gz QEAPDWOIZZKQIO-ZFWWWQNUSA-N 1 1 292.810 3.276 20 30 CGEDMO CC[N@@H+](CCO[C@H](C)C#N)[C@H](C)c1ccc(F)cc1 ZINC000801915390 630366095 /nfs/dbraw/zinc/36/60/95/630366095.db2.gz JYOQWBPEUSRFMR-CHWSQXEVSA-N 1 1 264.344 3.137 20 30 CGEDMO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CCO[C@H](C)C#N)o1 ZINC000801926007 630367328 /nfs/dbraw/zinc/36/73/28/630367328.db2.gz UATNBEADDGQLFM-CFVMTHIKSA-N 1 1 276.380 3.290 20 30 CGEDMO CC[C@@H](C[N@@H+](CC)CCO[C@H](C)C#N)c1ccccc1 ZINC000801943196 630371756 /nfs/dbraw/zinc/37/17/56/630371756.db2.gz NCDSTJQCQWKAQX-CVEARBPZSA-N 1 1 274.408 3.431 20 30 CGEDMO N#CC[C@@H](O)C[N@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000809572672 630751842 /nfs/dbraw/zinc/75/18/42/630751842.db2.gz QPCZSQWIVONCDX-QAPCUYQASA-N 1 1 280.371 3.251 20 30 CGEDMO C#CCCCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000878285576 635445800 /nfs/dbraw/zinc/44/58/00/635445800.db2.gz CFQPWWWPWZTEAP-WMZOPIPTSA-N 1 1 274.452 3.129 20 30 CGEDMO C#CCCCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000878285576 635445806 /nfs/dbraw/zinc/44/58/06/635445806.db2.gz CFQPWWWPWZTEAP-WMZOPIPTSA-N 1 1 274.452 3.129 20 30 CGEDMO C#Cc1ccc(C[N@H+](Cc2ccccc2)C[C@@H](O)CC)cc1 ZINC000809583970 630754780 /nfs/dbraw/zinc/75/47/80/630754780.db2.gz SRJFVRXKYSOKOT-FQEVSTJZSA-N 1 1 293.410 3.441 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H](CCC(=O)OCC)C2)cc1 ZINC000809594838 630756745 /nfs/dbraw/zinc/75/67/45/630756745.db2.gz BFASIAOAEVEXCS-KRWDZBQOSA-N 1 1 299.414 3.223 20 30 CGEDMO C#C[C@H]([NH2+]CCSCC)c1ccc(Cl)cc1F ZINC000809700142 630785858 /nfs/dbraw/zinc/78/58/58/630785858.db2.gz YFGKTEKPOORHHR-ZDUSSCGKSA-N 1 1 271.788 3.496 20 30 CGEDMO C#CCOc1ccc(C[N@@H+](Cc2ccccn2)C2CC2)cc1 ZINC000809764630 630801892 /nfs/dbraw/zinc/80/18/92/630801892.db2.gz YCRDEQPLNXJYCA-UHFFFAOYSA-N 1 1 292.382 3.258 20 30 CGEDMO C=CCCCCC[C@H](C)[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000810253201 630860537 /nfs/dbraw/zinc/86/05/37/630860537.db2.gz OBDQTBKHCFVTKH-KBPBESRZSA-N 1 1 261.413 3.382 20 30 CGEDMO C=CCCCCCCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000811589751 631088247 /nfs/dbraw/zinc/08/82/47/631088247.db2.gz DZOSEMCRNOIGFV-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO C[C@H]1C(N=Nc2ccc(F)cn2)CC[N@H+]1Cc1ccccc1 ZINC000811642363 631095299 /nfs/dbraw/zinc/09/52/99/631095299.db2.gz OCYHKKKFAPALAF-ZDUSSCGKSA-N 1 1 298.365 3.283 20 30 CGEDMO CC[C@@H](C)NN=C1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000811647908 631097204 /nfs/dbraw/zinc/09/72/04/631097204.db2.gz AOQZWZIOKRUTCO-KGLIPLIRSA-N 1 1 259.397 3.025 20 30 CGEDMO CC[C@@H](C)NN=C1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000811647908 631097208 /nfs/dbraw/zinc/09/72/08/631097208.db2.gz AOQZWZIOKRUTCO-KGLIPLIRSA-N 1 1 259.397 3.025 20 30 CGEDMO C#CCOc1ccccc1C[NH+]1CC(c2ccccc2F)C1 ZINC000812790952 631310572 /nfs/dbraw/zinc/31/05/72/631310572.db2.gz MBPKGJCFIJLKEM-UHFFFAOYSA-N 1 1 295.357 3.437 20 30 CGEDMO C=CCC(C)(C)COC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000814003894 631504888 /nfs/dbraw/zinc/50/48/88/631504888.db2.gz VVKNVODGMQBVEI-MRXNPFEDSA-N 1 1 285.403 3.344 20 30 CGEDMO COc1ccc(N[NH+]=C(C)c2cc(N)ccc2F)cc1 ZINC000814885052 631665184 /nfs/dbraw/zinc/66/51/84/631665184.db2.gz KPRJDHGGMPEXFY-UHFFFAOYSA-N 1 1 273.311 3.253 20 30 CGEDMO C[C@@H]1C(=NNCC(F)(F)F)CCC[N@H+]1Cc1ccccc1 ZINC000814904706 631673073 /nfs/dbraw/zinc/67/30/73/631673073.db2.gz VMXOXACXCSOLAK-GFCCVEGCSA-N 1 1 299.340 3.179 20 30 CGEDMO C[C@@H]1C(=NNCC(F)(F)F)CCC[N@@H+]1Cc1ccccc1 ZINC000814904706 631673078 /nfs/dbraw/zinc/67/30/78/631673078.db2.gz VMXOXACXCSOLAK-GFCCVEGCSA-N 1 1 299.340 3.179 20 30 CGEDMO COCCCON=C1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000814931893 631687769 /nfs/dbraw/zinc/68/77/69/631687769.db2.gz WJSAZKIXYKVIRA-OAHLLOKOSA-N 1 1 290.407 3.080 20 30 CGEDMO N#CCCOCC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000815049033 631707881 /nfs/dbraw/zinc/70/78/81/631707881.db2.gz VRCBJVGXCZENQF-UHFFFAOYSA-N 1 1 288.391 3.067 20 30 CGEDMO C=C(C)COc1cc(C[N@H+]2C[C@@H](C)[C@H]2C)ccc1OC ZINC000816648671 632035613 /nfs/dbraw/zinc/03/56/13/632035613.db2.gz NHYVJTJLOKIKPV-ZIAGYGMSSA-N 1 1 275.392 3.490 20 30 CGEDMO C=CC[N@H+](C)Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000121554708 635793488 /nfs/dbraw/zinc/79/34/88/635793488.db2.gz ITNLIAFGSNRDLB-UHFFFAOYSA-N 1 1 257.333 3.028 20 30 CGEDMO COc1ccc(C[NH2+][C@@H]2C[C@]2(F)c2ccccc2)cc1C#N ZINC000818230007 632300252 /nfs/dbraw/zinc/30/02/52/632300252.db2.gz LUWVNYZQPBHYEJ-MSOLQXFVSA-N 1 1 296.345 3.294 20 30 CGEDMO CN(c1ccc(C[NH2+]CCC#N)cc1)C1CCCCC1 ZINC000818980431 632359184 /nfs/dbraw/zinc/35/91/84/632359184.db2.gz KEOXURCPUKXFDW-UHFFFAOYSA-N 1 1 271.408 3.459 20 30 CGEDMO CC1=C(C(=O)Nc2cccc(CC#N)c2)CC[N@@H+]1C(C)C ZINC000821953100 632850080 /nfs/dbraw/zinc/85/00/80/632850080.db2.gz NLWZAPHUNMZYIT-UHFFFAOYSA-N 1 1 283.375 3.079 20 30 CGEDMO C=CC1(CC(=O)NCC[C@@H]2CCC[N@H+](C)C2)CCCCC1 ZINC000822456875 632930962 /nfs/dbraw/zinc/93/09/62/632930962.db2.gz GRLFLDVCHJAGMN-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO Cc1cc(C[N@H+](C)C[C@@](C)(O)c2ccccc2)ccc1C#N ZINC000822515781 632954618 /nfs/dbraw/zinc/95/46/18/632954618.db2.gz FVPMEHHYLYEDEV-LJQANCHMSA-N 1 1 294.398 3.206 20 30 CGEDMO Cc1cc(C)c(Cc2noc([C@H]([NH3+])CCCC#N)n2)c(C)c1 ZINC000822701515 633008211 /nfs/dbraw/zinc/00/82/11/633008211.db2.gz QSKKSOSOUAOSOH-OAHLLOKOSA-N 1 1 298.390 3.279 20 30 CGEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)C[C@@](C)(O)c1ccccc1 ZINC000823590621 633124731 /nfs/dbraw/zinc/12/47/31/633124731.db2.gz FTCPAWLYCNPULE-GOSISDBHSA-N 1 1 298.361 3.037 20 30 CGEDMO C[N@H+](Cc1cccc(F)c1C#N)C[C@](C)(O)c1ccccc1 ZINC000823604833 633125421 /nfs/dbraw/zinc/12/54/21/633125421.db2.gz FLAROCIMKIYOKY-SFHVURJKSA-N 1 1 298.361 3.037 20 30 CGEDMO C[N@@H+](Cc1cccc(F)c1C#N)C[C@](C)(O)c1ccccc1 ZINC000823604833 633125423 /nfs/dbraw/zinc/12/54/23/633125423.db2.gz FLAROCIMKIYOKY-SFHVURJKSA-N 1 1 298.361 3.037 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@](C)(O)c1ccccc1 ZINC000823605395 633126091 /nfs/dbraw/zinc/12/60/91/633126091.db2.gz JWMCZUKHIMUMTL-BEFAXECRSA-N 1 1 294.398 3.459 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000866583128 633202856 /nfs/dbraw/zinc/20/28/56/633202856.db2.gz PAEFHBBVQWMTCJ-KCXAZCMYSA-N 1 1 272.417 3.304 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 ZINC000824696484 633274919 /nfs/dbraw/zinc/27/49/19/633274919.db2.gz NFMWOCUWHSTOEU-OTWHNJEPSA-N 1 1 283.415 3.183 20 30 CGEDMO CC(C)CC[N@H+](C)Cc1cc(C#N)cnc1Cl ZINC000876572623 634860283 /nfs/dbraw/zinc/86/02/83/634860283.db2.gz NGYKDILIOIIKSR-UHFFFAOYSA-N 1 1 251.761 3.085 20 30 CGEDMO CC(C)CC[N@@H+](C)Cc1cc(C#N)cnc1Cl ZINC000876572623 634860284 /nfs/dbraw/zinc/86/02/84/634860284.db2.gz NGYKDILIOIIKSR-UHFFFAOYSA-N 1 1 251.761 3.085 20 30 CGEDMO CCn1ccnc1[C@H](C)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000825005425 633316833 /nfs/dbraw/zinc/31/68/33/633316833.db2.gz KFBAXERFSZBFOR-KBPBESRZSA-N 1 1 298.390 3.045 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](CF)C2)c(C(F)(F)F)c1 ZINC000880299551 635970050 /nfs/dbraw/zinc/97/00/50/635970050.db2.gz INYKVWQVKPZOJD-LLVKDONJSA-N 1 1 286.272 3.368 20 30 CGEDMO C=C(C)CN(C)C(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000869102026 633403728 /nfs/dbraw/zinc/40/37/28/633403728.db2.gz TVECDYPUHYAFNK-MRXNPFEDSA-N 1 1 293.455 3.001 20 30 CGEDMO C=CC[N@@H+](CCC(=O)CC(C)C)CCc1ccco1 ZINC000828199315 633583606 /nfs/dbraw/zinc/58/36/06/633583606.db2.gz YOELMIFUTOAJLG-UHFFFAOYSA-N 1 1 263.381 3.315 20 30 CGEDMO C=C[C@](C)(CCOC)C(=O)O[C@H](C)C[C@H]1CCCC[N@H+]1C ZINC000870786403 633646591 /nfs/dbraw/zinc/64/65/91/633646591.db2.gz WHVXNDBMSDMYSN-BFYDXBDKSA-N 1 1 297.439 3.021 20 30 CGEDMO C=CC1(CC(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)CCCCC1 ZINC000829563635 633750952 /nfs/dbraw/zinc/75/09/52/633750952.db2.gz IKFJYBIYXWDBAM-JKSUJKDBSA-N 1 1 290.451 3.208 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccn(-c3cccc(F)c3)n2)C1 ZINC000829778816 633782309 /nfs/dbraw/zinc/78/23/09/633782309.db2.gz HOUSJTSEEVKOEB-OAHLLOKOSA-N 1 1 297.377 3.247 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+]([C@@H](C)c2cccc(OC)c2)C1 ZINC000829784033 633782725 /nfs/dbraw/zinc/78/27/25/633782725.db2.gz DVYDEKRFPLEWLH-LSDHHAIUSA-N 1 1 257.377 3.492 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccn(C(CC)CC)n2)C1 ZINC000829804429 633789328 /nfs/dbraw/zinc/78/93/28/633789328.db2.gz HBIKDEYRAFJRNS-OAHLLOKOSA-N 1 1 273.424 3.480 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000829810065 633792153 /nfs/dbraw/zinc/79/21/53/633792153.db2.gz LJUILUGLDPHJLB-MLGOLLRUSA-N 1 1 295.785 3.248 20 30 CGEDMO C=CC(C)(C)CCC[NH2+][C@H](c1ncc[nH]1)c1cccnc1 ZINC000872101766 634022033 /nfs/dbraw/zinc/02/20/33/634022033.db2.gz OBJXDMSDBRUCTI-HNNXBMFYSA-N 1 1 284.407 3.476 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000832517607 634069652 /nfs/dbraw/zinc/06/96/52/634069652.db2.gz LTZFYFQPBAAHRL-XHDPSFHLSA-N 1 1 280.318 3.030 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000832517607 634069658 /nfs/dbraw/zinc/06/96/58/634069658.db2.gz LTZFYFQPBAAHRL-XHDPSFHLSA-N 1 1 280.318 3.030 20 30 CGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(CC2CCCCC2)no1 ZINC000872176725 634079359 /nfs/dbraw/zinc/07/93/59/634079359.db2.gz URVCZEOQGBPCST-LLVKDONJSA-N 1 1 269.776 3.335 20 30 CGEDMO Cc1cc(C)c(O)c(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000872681480 634186181 /nfs/dbraw/zinc/18/61/81/634186181.db2.gz HULWMFSFORVHAC-DZGCQCFKSA-N 1 1 258.365 3.133 20 30 CGEDMO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)n3ccnc32)cc1 ZINC000834896590 634273119 /nfs/dbraw/zinc/27/31/19/634273119.db2.gz LQDXFAUSFZQYAO-JKIFEVAISA-N 1 1 295.386 3.252 20 30 CGEDMO CCc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000834902334 634279097 /nfs/dbraw/zinc/27/90/97/634279097.db2.gz GWRNMTODFDOGBZ-SNVBAGLBSA-N 1 1 287.338 3.407 20 30 CGEDMO Cc1cc(C)cc(N[NH+]=C2CCCc3nc(N)ccc32)c1 ZINC000834929387 634289170 /nfs/dbraw/zinc/28/91/70/634289170.db2.gz NFHVVENEIUJYCQ-UHFFFAOYSA-N 1 1 280.375 3.433 20 30 CGEDMO C=CCC1(CNC(=O)CCCn2cc[nH+]c2C)CCCC1 ZINC000836990467 634839164 /nfs/dbraw/zinc/83/91/64/634839164.db2.gz GVBFSWKUVFERCV-UHFFFAOYSA-N 1 1 289.423 3.224 20 30 CGEDMO C#CCCCCCC[N@H+]1CC[C@H](N2CCCCC2)C1 ZINC000876689914 634882102 /nfs/dbraw/zinc/88/21/02/634882102.db2.gz NWZBCNFNFQUTHZ-KRWDZBQOSA-N 1 1 262.441 3.130 20 30 CGEDMO C#CCCCCCCN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000876689914 634882106 /nfs/dbraw/zinc/88/21/06/634882106.db2.gz NWZBCNFNFQUTHZ-KRWDZBQOSA-N 1 1 262.441 3.130 20 30 CGEDMO N#Cc1cnc(Cl)c(C[NH2+][C@@H]2CCc3c2cccc3O)c1 ZINC000877024161 634953318 /nfs/dbraw/zinc/95/33/18/634953318.db2.gz SIEVJBCLLXKOKA-CQSZACIVSA-N 1 1 299.761 3.089 20 30 CGEDMO CCOc1ccc(/C=N/CCCC[N@@H+](C)C2CC2)c(O)c1 ZINC000840708411 635038213 /nfs/dbraw/zinc/03/82/13/635038213.db2.gz APYLQZRKPNEBFP-QGOAFFKASA-N 1 1 290.407 3.084 20 30 CGEDMO CC(C)[C@@H]1CCC[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877460697 635045329 /nfs/dbraw/zinc/04/53/29/635045329.db2.gz SFIMPPOSCVDNON-CYBMUJFWSA-N 1 1 277.799 3.475 20 30 CGEDMO C#CCCCCCC[N@@H+]1C[C@H](N2CCCC2)C[C@H]1C ZINC000877517647 635068880 /nfs/dbraw/zinc/06/88/80/635068880.db2.gz NXYHXUQHFCSTEE-IAGOWNOFSA-N 1 1 262.441 3.129 20 30 CGEDMO C#CCCCCCCN1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000877517647 635068884 /nfs/dbraw/zinc/06/88/84/635068884.db2.gz NXYHXUQHFCSTEE-IAGOWNOFSA-N 1 1 262.441 3.129 20 30 CGEDMO C[C@@]12C[N@@H+](Cc3cc(C#N)cnc3Cl)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000877563238 635092139 /nfs/dbraw/zinc/09/21/39/635092139.db2.gz IVRZUJKFCQNIDX-JWDQPFGJSA-N 1 1 299.805 3.251 20 30 CGEDMO N#Cc1cnc(Cl)c(C[N@@H+]2CCC23CCCC3)c1 ZINC000877610760 635111646 /nfs/dbraw/zinc/11/16/46/635111646.db2.gz YEQACGJGMNOOKJ-UHFFFAOYSA-N 1 1 261.756 3.125 20 30 CGEDMO N#Cc1cnc(Cl)c(C[N@H+]2CCC23CCCC3)c1 ZINC000877610760 635111652 /nfs/dbraw/zinc/11/16/52/635111652.db2.gz YEQACGJGMNOOKJ-UHFFFAOYSA-N 1 1 261.756 3.125 20 30 CGEDMO C#CCOc1ccccc1C[NH2+][C@@H]1COCc2ccccc21 ZINC000841890522 635247457 /nfs/dbraw/zinc/24/74/57/635247457.db2.gz IUYBLBDNDINELO-GOSISDBHSA-N 1 1 293.366 3.060 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000842150905 635296405 /nfs/dbraw/zinc/29/64/05/635296405.db2.gz XXISKHHHKWYEMU-KRWDZBQOSA-N 1 1 272.392 3.270 20 30 CGEDMO C=CC[N@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)C(C)C ZINC000877976229 635302607 /nfs/dbraw/zinc/30/26/07/635302607.db2.gz MFVVWTPYFRVAOR-SFHVURJKSA-N 1 1 284.403 3.323 20 30 CGEDMO C#CCCCCC[N@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC000877980632 635304642 /nfs/dbraw/zinc/30/46/42/635304642.db2.gz LTNXFMXAXIKKDN-CQSZACIVSA-N 1 1 261.369 3.099 20 30 CGEDMO C#CCCCCC[N@@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC000877980632 635304653 /nfs/dbraw/zinc/30/46/53/635304653.db2.gz LTNXFMXAXIKKDN-CQSZACIVSA-N 1 1 261.369 3.099 20 30 CGEDMO C[N@H+](C[C@H]1CC[C@@H](c2ccccc2)O1)CC(C)(C)C#N ZINC000878650965 635590898 /nfs/dbraw/zinc/59/08/98/635590898.db2.gz RMZAZXUFTRLIMX-CVEARBPZSA-N 1 1 272.392 3.388 20 30 CGEDMO C[N@@H+](C[C@H]1CC[C@@H](c2ccccc2)O1)CC(C)(C)C#N ZINC000878650965 635590904 /nfs/dbraw/zinc/59/09/04/635590904.db2.gz RMZAZXUFTRLIMX-CVEARBPZSA-N 1 1 272.392 3.388 20 30 CGEDMO CC1(C)C[C@@H](C[N@H+]2Cc3cccc(C#N)c3C2)C(C)(C)O1 ZINC000878812496 635635299 /nfs/dbraw/zinc/63/52/99/635635299.db2.gz CTMDKKPBYZFXFD-HNNXBMFYSA-N 1 1 284.403 3.468 20 30 CGEDMO CC(=O)[C@@](C#N)(CC[N@H+]1C[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000878849432 635642167 /nfs/dbraw/zinc/64/21/67/635642167.db2.gz KMEVRBQCIMRHJI-WDSOQIARSA-N 1 1 296.414 3.301 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2C[C@@H](C)OC3(CCC3)C2)cc1 ZINC000843435801 635675752 /nfs/dbraw/zinc/67/57/52/635675752.db2.gz TVVNIDCCSUYFTI-MRXNPFEDSA-N 1 1 299.414 3.232 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000879038680 635688737 /nfs/dbraw/zinc/68/87/37/635688737.db2.gz WMGJNWRICWVNBI-HZSPNIEDSA-N 1 1 267.413 3.251 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000879237752 635729703 /nfs/dbraw/zinc/72/97/03/635729703.db2.gz HGCQBZGUOSUKLO-HNNXBMFYSA-N 1 1 280.456 3.073 20 30 CGEDMO O[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC000879246793 635733928 /nfs/dbraw/zinc/73/39/28/635733928.db2.gz XVBJMLHYIIRIKB-PMACEKPBSA-N 1 1 291.394 3.236 20 30 CGEDMO C[N@@H+](C[C@@H]1CC(C)(C)OC1(C)C)[C@H]1CCC[C@H]1C#N ZINC000879310544 635752137 /nfs/dbraw/zinc/75/21/37/635752137.db2.gz VMSOIDAKZCMEGL-IHRRRGAJSA-N 1 1 264.413 3.204 20 30 CGEDMO CO[C@@H]1CC[C@H](C)[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000879323639 635756572 /nfs/dbraw/zinc/75/65/72/635756572.db2.gz SNFRWHBZOKTIKG-GOEBONIOSA-N 1 1 286.419 3.487 20 30 CGEDMO C=CC[C@@H](C)[N@@H+]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC000879636119 635823732 /nfs/dbraw/zinc/82/37/32/635823732.db2.gz HHSWCPSIFIXOJR-CZUORRHYSA-N 1 1 261.365 3.033 20 30 CGEDMO CC1(C)[C@@H](c2ccccc2F)CC[N@H+]1CCOCCC#N ZINC000879639867 635824296 /nfs/dbraw/zinc/82/42/96/635824296.db2.gz BEIDRNQQFFEIIA-OAHLLOKOSA-N 1 1 290.382 3.324 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CCC[C@@H](c2ccccc2OC)CC1 ZINC000879730961 635845819 /nfs/dbraw/zinc/84/58/19/635845819.db2.gz GJAMWKRDKPEPJU-NVXWUHKLSA-N 1 1 289.419 3.202 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC000879761628 635857127 /nfs/dbraw/zinc/85/71/27/635857127.db2.gz OASXOKRAULHBGF-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)CCCCCCNC(=O)OC(C)(C)C ZINC000844321595 635869427 /nfs/dbraw/zinc/86/94/27/635869427.db2.gz TWFLRJNAMDOWDM-UHFFFAOYSA-N 1 1 296.455 3.415 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H](c2cc(C(C)C)n[nH]2)C1 ZINC000879918924 635883360 /nfs/dbraw/zinc/88/33/60/635883360.db2.gz KHFVUNBXLBZGFO-LSDHHAIUSA-N 1 1 291.439 3.040 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000879918924 635883362 /nfs/dbraw/zinc/88/33/62/635883362.db2.gz KHFVUNBXLBZGFO-LSDHHAIUSA-N 1 1 291.439 3.040 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000879918924 635883364 /nfs/dbraw/zinc/88/33/64/635883364.db2.gz KHFVUNBXLBZGFO-LSDHHAIUSA-N 1 1 291.439 3.040 20 30 CGEDMO N#Cc1ccccc1OCC[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844440468 635901878 /nfs/dbraw/zinc/90/18/78/635901878.db2.gz USLWKFPFWRSXKV-HNNXBMFYSA-N 1 1 292.329 3.058 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)cc1F ZINC000844441621 635903315 /nfs/dbraw/zinc/90/33/15/635903315.db2.gz PQIHDWOWEVVHRX-AWEZNQCLSA-N 1 1 280.293 3.319 20 30 CGEDMO COc1cc2c(cc1OC)[C@H](C)[N@@H+](CCCCC#N)CC2 ZINC000880089717 635910993 /nfs/dbraw/zinc/91/09/93/635910993.db2.gz AGGXUIUMBJPXMB-ZDUSSCGKSA-N 1 1 288.391 3.317 20 30 CGEDMO CC(C)(O)[C@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000880145588 635924020 /nfs/dbraw/zinc/92/40/20/635924020.db2.gz OSGPTACLPAUDPL-HNNXBMFYSA-N 1 1 286.419 3.081 20 30 CGEDMO COCC1([N@@H+](C)CCC2(C#N)CCCCC2)CCC1 ZINC000880185356 635929719 /nfs/dbraw/zinc/92/97/19/635929719.db2.gz NLGUNFJXKBGTGL-UHFFFAOYSA-N 1 1 264.413 3.351 20 30 CGEDMO CCCC(N)=[NH+]OCc1nc(-c2ccccc2)oc1C ZINC000105605773 635959401 /nfs/dbraw/zinc/95/94/01/635959401.db2.gz IVWTXWKOYMZSFT-UHFFFAOYSA-N 1 1 273.336 3.239 20 30 CGEDMO C=CCCC[C@H](NC(=O)Cn1c[nH+]cc1C)c1ccccc1 ZINC000882238195 636295723 /nfs/dbraw/zinc/29/57/23/636295723.db2.gz RWBXSRJUEDSPFK-KRWDZBQOSA-N 1 1 297.402 3.405 20 30 CGEDMO CC[C@H](CC#N)[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000846980830 636300120 /nfs/dbraw/zinc/30/01/20/636300120.db2.gz JIISUAJGUBHCCQ-OLZOCXBDSA-N 1 1 286.297 3.021 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000847020299 636312734 /nfs/dbraw/zinc/31/27/34/636312734.db2.gz ARHCKLKOBCPQGN-KGLIPLIRSA-N 1 1 272.348 3.309 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccccc2OC2CC2)C1 ZINC000847020501 636312787 /nfs/dbraw/zinc/31/27/87/636312787.db2.gz YPFYZWWWPHZWST-CQSZACIVSA-N 1 1 255.361 3.073 20 30 CGEDMO COc1ccccc1CON=C1CCC[N@H+]2CCCC[C@@H]12 ZINC000848409700 636569462 /nfs/dbraw/zinc/56/94/62/636569462.db2.gz BUFVMEHHMLOUQR-INIZCTEOSA-N 1 1 288.391 3.216 20 30 CGEDMO C#CCOc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000131187002 636573108 /nfs/dbraw/zinc/57/31/08/636573108.db2.gz NKXIAWIBLYGXRA-UHFFFAOYSA-N 1 1 290.366 3.202 20 30 CGEDMO C=CCC[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)[C@@H]1CCCO1 ZINC000883201186 636581972 /nfs/dbraw/zinc/58/19/72/636581972.db2.gz ZWBLNVOZMMBDMP-IRXDYDNUSA-N 1 1 294.483 3.353 20 30 CGEDMO CC[N@@H+](CCNCc1ccc(C(C)(C)C#N)cc1)C(C)C ZINC000848534186 636594007 /nfs/dbraw/zinc/59/40/07/636594007.db2.gz NTRUWMLQPHKNSH-UHFFFAOYSA-N 1 1 287.451 3.308 20 30 CGEDMO CCN(CC[NH2+]Cc1ccc(C(C)(C)C#N)cc1)C(C)C ZINC000848534186 636594022 /nfs/dbraw/zinc/59/40/22/636594022.db2.gz NTRUWMLQPHKNSH-UHFFFAOYSA-N 1 1 287.451 3.308 20 30 CGEDMO C=CCCC[C@H]([NH2+]Cc1cn(CC)nn1)c1ccccc1 ZINC000883235158 636604159 /nfs/dbraw/zinc/60/41/59/636604159.db2.gz VXCMJUYNFJPAFI-KRWDZBQOSA-N 1 1 284.407 3.485 20 30 CGEDMO C[C@@H]1CCC[C@@H](c2noc([C@@H]([NH3+])CCCCC#N)n2)C1 ZINC000848620620 636620424 /nfs/dbraw/zinc/62/04/24/636620424.db2.gz FLHBGNUKJKOXTA-UPJWGTAASA-N 1 1 276.384 3.447 20 30 CGEDMO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)C(=O)OCc1ccccc1 ZINC000848921973 636692352 /nfs/dbraw/zinc/69/23/52/636692352.db2.gz YFLPWRRMJKGZNH-SOUVJXGZSA-N 1 1 275.392 3.309 20 30 CGEDMO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)C(=O)OCc1ccccc1 ZINC000848921971 636693104 /nfs/dbraw/zinc/69/31/04/636693104.db2.gz YFLPWRRMJKGZNH-RRFJBIMHSA-N 1 1 275.392 3.309 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cccc(OC)c2OC(C)C)C1 ZINC000848922987 636694564 /nfs/dbraw/zinc/69/45/64/636694564.db2.gz AWRBUHWVVWOBFJ-OAHLLOKOSA-N 1 1 287.403 3.328 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2nc3ccc(Cl)cc3n2C)C1 ZINC000848924133 636695771 /nfs/dbraw/zinc/69/57/71/636695771.db2.gz OJHFZSZMFKVGNN-GFCCVEGCSA-N 1 1 287.794 3.072 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2nc3ccc(Cl)cc3n2C)C1 ZINC000848924133 636695772 /nfs/dbraw/zinc/69/57/72/636695772.db2.gz OJHFZSZMFKVGNN-GFCCVEGCSA-N 1 1 287.794 3.072 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(C)cc2-c2ccnn2C)C1 ZINC000848924528 636697274 /nfs/dbraw/zinc/69/72/74/636697274.db2.gz UTRLGLWEVMKGPH-INIZCTEOSA-N 1 1 293.414 3.241 20 30 CGEDMO C#CC1([NH2+]Cc2c[nH]c(-c3ccccc3)n2)CCCC1 ZINC000883363171 636704217 /nfs/dbraw/zinc/70/42/17/636704217.db2.gz XBKLXDSRBNUQMF-UHFFFAOYSA-N 1 1 265.360 3.112 20 30 CGEDMO NC(=[NH+]OCc1ccc2ccccc2c1)C1CCOCC1 ZINC000131873462 636759990 /nfs/dbraw/zinc/75/99/90/636759990.db2.gz UGPTXSLNGVJSTN-UHFFFAOYSA-N 1 1 284.359 3.055 20 30 CGEDMO C=CC[C@@H]([NH2+]Cc1nccn1C(C)C)c1ccncc1 ZINC000850137611 636966534 /nfs/dbraw/zinc/96/65/34/636966534.db2.gz QSPOLLVXWNOIJM-OAHLLOKOSA-N 1 1 270.380 3.266 20 30 CGEDMO C[NH+](C)[C@@H]1CCC[C@H](NCc2ccc(C3(C#N)CC3)cc2)C1 ZINC000850172741 636972562 /nfs/dbraw/zinc/97/25/62/636972562.db2.gz DEIZCQZLPIMLAJ-ZWKOTPCHSA-N 1 1 297.446 3.204 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1C[C@]12CCOC2 ZINC000885954007 637328910 /nfs/dbraw/zinc/32/89/10/637328910.db2.gz LCTAGOCNOQNHSB-ROUUACIJSA-N 1 1 284.403 3.197 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1F)C[C@@H]1C[C@]12CCOC2 ZINC000885963894 637335613 /nfs/dbraw/zinc/33/56/13/637335613.db2.gz RUBAVJYKOYKGOT-RDJZCZTQSA-N 1 1 275.367 3.240 20 30 CGEDMO C/C(=C/c1ccccc1)C[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000886171470 637448289 /nfs/dbraw/zinc/44/82/89/637448289.db2.gz HNFMIMWXRRKROC-QMJOVRGKSA-N 1 1 298.430 3.467 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CC[C@@H](C)[C@@H]2c2ccccc2)nn1 ZINC000886541266 637567889 /nfs/dbraw/zinc/56/78/89/637567889.db2.gz SQUORKYYAJJQCY-CRAIPNDOSA-N 1 1 296.418 3.437 20 30 CGEDMO C#CC1CC[NH+](Cc2cc(F)ccc2OC(F)F)CC1 ZINC000852205060 637615279 /nfs/dbraw/zinc/61/52/79/637615279.db2.gz HRIFMTVFNBXYEE-UHFFFAOYSA-N 1 1 283.293 3.272 20 30 CGEDMO CC[C@H](CC(F)F)C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000852211319 637616302 /nfs/dbraw/zinc/61/63/02/637616302.db2.gz RKVLVFKXDYOYMO-IUODEOHRSA-N 1 1 296.361 3.205 20 30 CGEDMO C=CCCC[C@H](COc1ccccc1)[NH2+]Cc1ncccn1 ZINC000886638595 637622834 /nfs/dbraw/zinc/62/28/34/637622834.db2.gz XSDKUMWUSMCRKS-MRXNPFEDSA-N 1 1 297.402 3.370 20 30 CGEDMO CC(C)C[C@H](C)[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852333110 637636043 /nfs/dbraw/zinc/63/60/43/637636043.db2.gz HOPLXHSJIMZQMN-RDJZCZTQSA-N 1 1 271.408 3.373 20 30 CGEDMO CCC(CC)C[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852332176 637636785 /nfs/dbraw/zinc/63/67/85/637636785.db2.gz QYMYDOSJTKYCHL-QGZVFWFLSA-N 1 1 271.408 3.375 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](Cc2nc(C)cs2)C1 ZINC000886692148 637657094 /nfs/dbraw/zinc/65/70/94/637657094.db2.gz SSFBEDQUFWKQSR-CYBMUJFWSA-N 1 1 250.411 3.282 20 30 CGEDMO C#Cc1cccnc1NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000853164481 637775138 /nfs/dbraw/zinc/77/51/38/637775138.db2.gz HBWAQENOFUNNMZ-HNNXBMFYSA-N 1 1 271.408 3.129 20 30 CGEDMO Clc1cc(N=NC2CCC[N@H+]3CCCC[C@@H]23)ccn1 ZINC000853397890 637836022 /nfs/dbraw/zinc/83/60/22/637836022.db2.gz XBDXJSBFBCIIFZ-ZDUSSCGKSA-N 1 1 278.787 3.151 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(C(C)C)cc(=O)c1O)C(C)C ZINC000853491373 637854930 /nfs/dbraw/zinc/85/49/30/637854930.db2.gz QONVRKKBUSELGR-UHFFFAOYSA-N 1 1 275.392 3.272 20 30 CGEDMO C=CC[N@H+](Cn1ccc(-c2ccsc2)n1)[C@H](C)COC ZINC000853532815 637862951 /nfs/dbraw/zinc/86/29/51/637862951.db2.gz NCMNSFKZLJLTRT-CYBMUJFWSA-N 1 1 291.420 3.092 20 30 CGEDMO C=CC[N@@H+](Cn1ccc(-c2ccsc2)n1)[C@H](C)COC ZINC000853532815 637862955 /nfs/dbraw/zinc/86/29/55/637862955.db2.gz NCMNSFKZLJLTRT-CYBMUJFWSA-N 1 1 291.420 3.092 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CN2C(=O)[C@H](C)[C@H]2c2ccccc2)C1 ZINC000853537422 637865415 /nfs/dbraw/zinc/86/54/15/637865415.db2.gz XRCSSZVOSSALEM-NUJGCVRESA-N 1 1 298.430 3.452 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1c2cc(C)ccc2oc1=O ZINC000853598497 637871349 /nfs/dbraw/zinc/87/13/49/637871349.db2.gz SIGQKOQGTZDLEA-OKILXGFUSA-N 1 1 284.359 3.043 20 30 CGEDMO CCCCCCCCC[N@H+]1CCc2cnc(N)nc2C1 ZINC000857923661 638605786 /nfs/dbraw/zinc/60/57/86/638605786.db2.gz JOEZBYRAIBIJPW-UHFFFAOYSA-N 1 1 276.428 3.168 20 30 CGEDMO N#CCCCC[N@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858017260 638620108 /nfs/dbraw/zinc/62/01/08/638620108.db2.gz WHQCJXJOZQJJIT-QGZVFWFLSA-N 1 1 299.418 3.496 20 30 CGEDMO C=C(C)[C@H]([NH2+][C@H](C)c1cnnn1C)c1ccc(F)c(F)c1 ZINC000926205833 638740014 /nfs/dbraw/zinc/74/00/14/638740014.db2.gz ILSYRYXYNLYUBR-BMIGLBTASA-N 1 1 292.333 3.061 20 30 CGEDMO C=CCOc1ccc(C[NH2+][C@H](C)c2cc(OC)no2)cc1 ZINC000926399298 638768265 /nfs/dbraw/zinc/76/82/65/638768265.db2.gz ADKWTGPXGBVRMH-GFCCVEGCSA-N 1 1 288.347 3.099 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1cn2c(n1)CCCC2 ZINC000926627338 638791873 /nfs/dbraw/zinc/79/18/73/638791873.db2.gz LKYBQKPDOPLGQL-AWEZNQCLSA-N 1 1 294.402 3.136 20 30 CGEDMO C=CCn1ncc2ccc(N[C@@H]3C[N@@H+](C4CC4)C[C@H]3C)cc21 ZINC000927067650 638837168 /nfs/dbraw/zinc/83/71/68/638837168.db2.gz QJRCEYKEHGAEJS-CXAGYDPISA-N 1 1 296.418 3.117 20 30 CGEDMO C=CCn1ncc2ccc(N[C@H]3C[N@@H+](C4CC4)C[C@@H]3C)cc21 ZINC000927067652 638837521 /nfs/dbraw/zinc/83/75/21/638837521.db2.gz QJRCEYKEHGAEJS-GUYCJALGSA-N 1 1 296.418 3.117 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCO[C@H](c3ccccc3)C2)CC1 ZINC000929253892 638912075 /nfs/dbraw/zinc/91/20/75/638912075.db2.gz GKMGKFVWCSDVCF-HTWSVDAQSA-N 1 1 284.403 3.390 20 30 CGEDMO CC[N@H+](Cc1cc(Cl)cc(C#N)c1)C[C@@H]1CCOC1 ZINC000929287468 638915526 /nfs/dbraw/zinc/91/55/26/638915526.db2.gz LSFXTBGVXFZZCT-LBPRGKRZSA-N 1 1 278.783 3.070 20 30 CGEDMO CC[N@H+](Cc1nn(C)cc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000929331027 638919142 /nfs/dbraw/zinc/91/91/42/638919142.db2.gz NLTMKKXPEBIMDX-CQSZACIVSA-N 1 1 282.391 3.183 20 30 CGEDMO CC[N@@H+](Cc1nn(C)cc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000929331027 638919144 /nfs/dbraw/zinc/91/91/44/638919144.db2.gz NLTMKKXPEBIMDX-CQSZACIVSA-N 1 1 282.391 3.183 20 30 CGEDMO CCCC[N@@H+](C[C@H](O)CC#N)[C@@H](C)c1ccccc1 ZINC000929391869 638923137 /nfs/dbraw/zinc/92/31/37/638923137.db2.gz XXXMSTQEWRXGFR-GOEBONIOSA-N 1 1 260.381 3.124 20 30 CGEDMO Cc1cn(C)nc1C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000929398084 638923557 /nfs/dbraw/zinc/92/35/57/638923557.db2.gz TYULKSUJUHHUJI-UHFFFAOYSA-N 1 1 296.418 3.258 20 30 CGEDMO C[N@@H+](CCC1CCCCC1)Cc1cncc(C#N)c1 ZINC000929469536 638926787 /nfs/dbraw/zinc/92/67/87/638926787.db2.gz NVRIWLMZZLSMLV-UHFFFAOYSA-N 1 1 257.381 3.355 20 30 CGEDMO C[N@H+](Cc1cc(Cl)cc(C#N)c1)C[C@H]1CCCOC1 ZINC000929609897 638934408 /nfs/dbraw/zinc/93/44/08/638934408.db2.gz XVFJTVQKNYNDSH-GFCCVEGCSA-N 1 1 278.783 3.070 20 30 CGEDMO Cc1cccc([C@H](O)C[N@H+](CCC#N)CC(C)(C)C)c1 ZINC000929690936 638942012 /nfs/dbraw/zinc/94/20/12/638942012.db2.gz AQYLGOISNSYYJU-MRXNPFEDSA-N 1 1 274.408 3.290 20 30 CGEDMO Cc1cccc([C@H](O)C[N@@H+](CCC#N)CC(C)(C)C)c1 ZINC000929690936 638942015 /nfs/dbraw/zinc/94/20/15/638942015.db2.gz AQYLGOISNSYYJU-MRXNPFEDSA-N 1 1 274.408 3.290 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)c1 ZINC000929825429 638954804 /nfs/dbraw/zinc/95/48/04/638954804.db2.gz LQMKEFSCLRNOGZ-GDBMZVCRSA-N 1 1 290.794 3.213 20 30 CGEDMO CC[C@](C)([NH2+]Cc1cncc(C#N)c1)c1nc(C)cs1 ZINC000930009078 638968294 /nfs/dbraw/zinc/96/82/94/638968294.db2.gz CLORQSREESKIJH-HNNXBMFYSA-N 1 1 286.404 3.133 20 30 CGEDMO C[N@@H+](Cc1cc(Cl)cc(C#N)c1)[C@@H](CO)C(C)(C)C ZINC000930057331 638971595 /nfs/dbraw/zinc/97/15/95/638971595.db2.gz SDVYKTQBCFNODJ-AWEZNQCLSA-N 1 1 280.799 3.050 20 30 CGEDMO N#CC[C@@H](O)C[N@H+]1CCCC[C@@H]1CCCc1ccccc1 ZINC000930076415 638972653 /nfs/dbraw/zinc/97/26/53/638972653.db2.gz CUEPPYWLZHCOQH-QZTJIDSGSA-N 1 1 286.419 3.138 20 30 CGEDMO C[C@H](C#N)C[N@@H+](CCCCC1(C#N)CCC1)C1CC1 ZINC000930087684 638973578 /nfs/dbraw/zinc/97/35/78/638973578.db2.gz VAJUFUZWNTYMKM-CQSZACIVSA-N 1 1 259.397 3.475 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cnc(Br)c(C)c1 ZINC000930245537 638985805 /nfs/dbraw/zinc/98/58/05/638985805.db2.gz VVDWHSOFLLEHLW-UHFFFAOYSA-N 1 1 269.186 3.160 20 30 CGEDMO C=CC1(CC(=O)NCCCn2cc[nH+]c2C)CCCCC1 ZINC000930344502 638992088 /nfs/dbraw/zinc/99/20/88/638992088.db2.gz BKCXXCUWMDHCCE-UHFFFAOYSA-N 1 1 289.423 3.224 20 30 CGEDMO N#Cc1cncc(C[NH+]2CCC(CC(F)(F)F)CC2)c1 ZINC000930373964 638993659 /nfs/dbraw/zinc/99/36/59/638993659.db2.gz PPAJASJOVOOSOH-UHFFFAOYSA-N 1 1 283.297 3.118 20 30 CGEDMO C[N@H+]1CCN(CC2CCC(C#N)CC2)CC12CCCCC2 ZINC000930609172 639037186 /nfs/dbraw/zinc/03/71/86/639037186.db2.gz CMKCXHJXOGKTCW-UHFFFAOYSA-N 1 1 289.467 3.267 20 30 CGEDMO CN1CC[N@H+](CC2CCC(C#N)CC2)CC12CCCCC2 ZINC000930609172 639037189 /nfs/dbraw/zinc/03/71/89/639037189.db2.gz CMKCXHJXOGKTCW-UHFFFAOYSA-N 1 1 289.467 3.267 20 30 CGEDMO CN1CC[N@@H+](CC2CCC(C#N)CC2)CC12CCCCC2 ZINC000930609172 639037196 /nfs/dbraw/zinc/03/71/96/639037196.db2.gz CMKCXHJXOGKTCW-UHFFFAOYSA-N 1 1 289.467 3.267 20 30 CGEDMO N#CC1(CCCC[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)CCC1 ZINC000930623659 639040207 /nfs/dbraw/zinc/04/02/07/639040207.db2.gz SGOQATUYJFNMIA-ZACQAIPSSA-N 1 1 290.451 3.476 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC(=O)CC12CCC2 ZINC000930741082 639062535 /nfs/dbraw/zinc/06/25/35/639062535.db2.gz IEYJNYOIVUEOLK-UHFFFAOYSA-N 1 1 282.387 3.263 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC(=O)CC12CCC2 ZINC000930741082 639062537 /nfs/dbraw/zinc/06/25/37/639062537.db2.gz IEYJNYOIVUEOLK-UHFFFAOYSA-N 1 1 282.387 3.263 20 30 CGEDMO C[N@H+](Cc1ccccc1CF)C[C@@H](O)c1cccc(C#N)c1 ZINC000930844537 639075232 /nfs/dbraw/zinc/07/52/32/639075232.db2.gz CVDLLUVAYNWXAE-GOSISDBHSA-N 1 1 298.361 3.193 20 30 CGEDMO CC(C)O[C@H]1CCC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000930850777 639076182 /nfs/dbraw/zinc/07/61/82/639076182.db2.gz WFDRYKCLWHIBCC-GPANFISMSA-N 1 1 264.413 3.206 20 30 CGEDMO C=CC[N@@H+](Cc1cnc(-c2ccccc2)o1)[C@@H](C)COC ZINC000930933209 639088281 /nfs/dbraw/zinc/08/82/81/639088281.db2.gz SQVNRPNYMXAOLQ-AWEZNQCLSA-N 1 1 286.375 3.365 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCCC[C@H]2CC2CCC2)c1 ZINC000931065593 639105799 /nfs/dbraw/zinc/10/57/99/639105799.db2.gz CLINKMIZPOOUJB-KRWDZBQOSA-N 1 1 269.392 3.498 20 30 CGEDMO N#CC1CCC(C[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)CC1 ZINC000931176628 639121326 /nfs/dbraw/zinc/12/13/26/639121326.db2.gz IVTWPVIHGAUDPD-TVPLGVNVSA-N 1 1 298.430 3.300 20 30 CGEDMO C#CCCC[N@@H+](Cc1ccccc1)C1(CO)CCCC1 ZINC000859322925 639128385 /nfs/dbraw/zinc/12/83/85/639128385.db2.gz MAGPKDXZTVNVGW-UHFFFAOYSA-N 1 1 271.404 3.207 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000859443349 639141937 /nfs/dbraw/zinc/14/19/37/639141937.db2.gz DTSSKNWMRKPQTE-INIZCTEOSA-N 1 1 298.430 3.321 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](c3c[nH]c4ncccc34)C2)C1 ZINC000931371601 639142097 /nfs/dbraw/zinc/14/20/97/639142097.db2.gz CWHHFWNMFFEKBR-KFWWJZLASA-N 1 1 294.402 3.435 20 30 CGEDMO N#Cc1ccc(F)c(C[NH+]2CCC(c3ncco3)CC2)c1 ZINC000931451214 639150585 /nfs/dbraw/zinc/15/05/85/639150585.db2.gz SXOSWTFPVFTJKQ-UHFFFAOYSA-N 1 1 285.322 3.065 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000931477295 639158021 /nfs/dbraw/zinc/15/80/21/639158021.db2.gz PVWOOXBOPPGVCT-OAHLLOKOSA-N 1 1 294.345 3.031 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@](O)(c3ccccc3)C2)s1 ZINC000859587952 639169240 /nfs/dbraw/zinc/16/92/40/639169240.db2.gz CQEFPBRQJPBFKV-QGZVFWFLSA-N 1 1 298.411 3.103 20 30 CGEDMO CC(C)(C#N)CCCC[N@@H+]1CCc2nc[nH]c2C12CCC2 ZINC000931680208 639187657 /nfs/dbraw/zinc/18/76/57/639187657.db2.gz QVWOSYNKOXYRTM-UHFFFAOYSA-N 1 1 286.423 3.367 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCc2nc[nH]c2C12CCC2 ZINC000931680208 639187665 /nfs/dbraw/zinc/18/76/65/639187665.db2.gz QVWOSYNKOXYRTM-UHFFFAOYSA-N 1 1 286.423 3.367 20 30 CGEDMO CC(C)([NH2+]Cc1cncc(C#N)c1)c1ccc(F)cc1F ZINC000931754559 639201333 /nfs/dbraw/zinc/20/13/33/639201333.db2.gz GMGCCKCBYNJIKG-UHFFFAOYSA-N 1 1 287.313 3.256 20 30 CGEDMO Cc1ccc(C[N@@H+](CCCC(C)C)C[C@H](O)CC#N)o1 ZINC000931760156 639201850 /nfs/dbraw/zinc/20/18/50/639201850.db2.gz BKFWPTBDCCEUQC-OAHLLOKOSA-N 1 1 278.396 3.101 20 30 CGEDMO FC1(F)C[C@]2(CC[N@@H+](CC#Cc3ccccc3)C2)C1(F)F ZINC000931915250 639229411 /nfs/dbraw/zinc/22/94/11/639229411.db2.gz ZXXDIRGZGFLAGU-AWEZNQCLSA-N 1 1 297.295 3.405 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859930403 639257124 /nfs/dbraw/zinc/25/71/24/639257124.db2.gz VTYOFNRQKQMWEQ-XWTMOSNGSA-N 1 1 271.404 3.049 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@H](c2ccn(C)n2)C1 ZINC000932130812 639268805 /nfs/dbraw/zinc/26/88/05/639268805.db2.gz UIJZGXKBHCQJBL-INIZCTEOSA-N 1 1 273.424 3.183 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2ccn(C)n2)C1 ZINC000932136444 639271295 /nfs/dbraw/zinc/27/12/95/639271295.db2.gz MVZDRKPHGDZQNF-YOEHRIQHSA-N 1 1 294.402 3.232 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](CCSCc2ccccc2)C1 ZINC000932154313 639277623 /nfs/dbraw/zinc/27/76/23/639277623.db2.gz JKRWBSMGQVNCTI-HNNXBMFYSA-N 1 1 260.406 3.155 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](CCSCc2ccccc2)C1 ZINC000932154313 639277630 /nfs/dbraw/zinc/27/76/30/639277630.db2.gz JKRWBSMGQVNCTI-HNNXBMFYSA-N 1 1 260.406 3.155 20 30 CGEDMO C=CCCCC[N@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000860099848 639282879 /nfs/dbraw/zinc/28/28/79/639282879.db2.gz IWSIQFNIQKLRCP-CYBMUJFWSA-N 1 1 270.417 3.188 20 30 CGEDMO CCC(C#N)(CC)C(=O)OC[C@@H]1CCCC[N@H+]1C(C)C ZINC000860200661 639308287 /nfs/dbraw/zinc/30/82/87/639308287.db2.gz YCLBTEORCKIIHQ-AWEZNQCLSA-N 1 1 280.412 3.122 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1C(C)(C)C#N)C(C)C ZINC000932390295 639324837 /nfs/dbraw/zinc/32/48/37/639324837.db2.gz JBPVJZFEZBMRGH-UHFFFAOYSA-N 1 1 254.377 3.331 20 30 CGEDMO CC(C)C[N@@H+](Cc1cncc(C#N)c1)Cc1ccccn1 ZINC000932446848 639334236 /nfs/dbraw/zinc/33/42/36/639334236.db2.gz NETUHYBYSXGDQQ-UHFFFAOYSA-N 1 1 280.375 3.006 20 30 CGEDMO C#CC[N@@H+](CC(=O)Nc1c(C)cccc1CC)C(C)(C)C ZINC000932465867 639338077 /nfs/dbraw/zinc/33/80/77/639338077.db2.gz OIDMTANZGKKBNU-UHFFFAOYSA-N 1 1 286.419 3.230 20 30 CGEDMO C#CC[N@H+](CC(=O)Nc1c(C)cccc1CC)C(C)(C)C ZINC000932465867 639338084 /nfs/dbraw/zinc/33/80/84/639338084.db2.gz OIDMTANZGKKBNU-UHFFFAOYSA-N 1 1 286.419 3.230 20 30 CGEDMO C=CCCCC[N@H+]1CCn2c(cnc2C(F)(F)F)C1 ZINC000932580476 639358947 /nfs/dbraw/zinc/35/89/47/639358947.db2.gz SQGVIWPWYMSAKC-UHFFFAOYSA-N 1 1 273.302 3.074 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000932697567 639374866 /nfs/dbraw/zinc/37/48/66/639374866.db2.gz NJDONEOHFBKLCT-KGLIPLIRSA-N 1 1 282.428 3.188 20 30 CGEDMO C#CCC1([NH2+]Cc2noc(C(C)C)n2)CCCCC1 ZINC000933269695 639434461 /nfs/dbraw/zinc/43/44/61/639434461.db2.gz RVOVYJJGZFXNJR-UHFFFAOYSA-N 1 1 261.369 3.009 20 30 CGEDMO CCC[C@@H](C)[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933630945 639472455 /nfs/dbraw/zinc/47/24/55/639472455.db2.gz WOBNEJIOHPAMKB-CJNGLKHVSA-N 1 1 258.365 3.120 20 30 CGEDMO N#Cc1ccc([C@H]2C[N@@H+](CCC3CCC3)CCO2)cc1 ZINC000933631941 639472535 /nfs/dbraw/zinc/47/25/35/639472535.db2.gz MNRDHDRTBWIPNT-QGZVFWFLSA-N 1 1 270.376 3.122 20 30 CGEDMO C#CCCCCC[N@@H+]1CCCSC[C@@H]1c1cnn(C)c1 ZINC000933972707 639517136 /nfs/dbraw/zinc/51/71/36/639517136.db2.gz BZLILJUZGHSPPH-MRXNPFEDSA-N 1 1 291.464 3.094 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000934458657 639611773 /nfs/dbraw/zinc/61/17/73/639611773.db2.gz BPAZNCLAKFVGLP-GJZGRUSLSA-N 1 1 294.439 3.284 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1ccc(SC)cc1 ZINC000934471802 639614676 /nfs/dbraw/zinc/61/46/76/639614676.db2.gz MSMMRFRMMAOFFB-GXTWGEPZSA-N 1 1 290.432 3.386 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1cn2cc(Cl)ccc2n1 ZINC000934470927 639614964 /nfs/dbraw/zinc/61/49/64/639614964.db2.gz HGIYKBDEVSMTNZ-CYBMUJFWSA-N 1 1 261.756 3.138 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1cn2cc(Cl)ccc2n1 ZINC000934470927 639614971 /nfs/dbraw/zinc/61/49/71/639614971.db2.gz HGIYKBDEVSMTNZ-CYBMUJFWSA-N 1 1 261.756 3.138 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000934881014 639698358 /nfs/dbraw/zinc/69/83/58/639698358.db2.gz YGZSHNRWBWCLBL-KRWDZBQOSA-N 1 1 299.418 3.326 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000934885556 639702085 /nfs/dbraw/zinc/70/20/85/639702085.db2.gz MXLBWICSYPGFQL-DOTOQJQBSA-N 1 1 299.418 3.278 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000935011716 639731104 /nfs/dbraw/zinc/73/11/04/639731104.db2.gz KPSCIQYITRTKQC-HLLBOEOZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[NH+](CC=C)[C@H](CNCc1ccc(F)nc1)C(C)C ZINC000188987247 640160760 /nfs/dbraw/zinc/16/07/60/640160760.db2.gz NTJFDPQKMREGCO-MRXNPFEDSA-N 1 1 291.414 3.009 20 30 CGEDMO CC#CC[N@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000246436914 640675524 /nfs/dbraw/zinc/67/55/24/640675524.db2.gz DCWBXNNDUWBWCJ-LSDHHAIUSA-N 1 1 277.433 3.440 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001007057115 640940027 /nfs/dbraw/zinc/94/00/27/640940027.db2.gz JXVRNVXHOYWLJU-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CCC[N@@H+](C[C@H](F)CC)C2)CC1 ZINC001008422599 640950308 /nfs/dbraw/zinc/95/03/08/640950308.db2.gz NZVQYFINOGTHNR-HZPDHXFCSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+](C[C@H](F)CC)C2)CC1 ZINC001008422599 640950310 /nfs/dbraw/zinc/95/03/10/640950310.db2.gz NZVQYFINOGTHNR-HZPDHXFCSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(Cl)ccc2C)C1 ZINC001008914951 640955261 /nfs/dbraw/zinc/95/52/61/640955261.db2.gz SZYLSBMPAMJGHE-CQSZACIVSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C3CC3)s2)C1 ZINC001009197542 640956477 /nfs/dbraw/zinc/95/64/77/640956477.db2.gz VMHULTGHYZTHNR-CYBMUJFWSA-N 1 1 290.432 3.006 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C3CC3)s2)C1 ZINC001009197542 640956479 /nfs/dbraw/zinc/95/64/79/640956479.db2.gz VMHULTGHYZTHNR-CYBMUJFWSA-N 1 1 290.432 3.006 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cl)s2)C1 ZINC001009413525 640958796 /nfs/dbraw/zinc/95/87/96/640958796.db2.gz CCIIXZFCMSXXHC-NSHDSACASA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccc(Cl)s2)C1 ZINC001009413525 640958799 /nfs/dbraw/zinc/95/87/99/640958799.db2.gz CCIIXZFCMSXXHC-NSHDSACASA-N 1 1 298.839 3.172 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](NC(=O)C2(C3CCCCC3)CC2)C1 ZINC001009350710 640959005 /nfs/dbraw/zinc/95/90/05/640959005.db2.gz GCLAVBOQIGFVES-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2sccc2CC)C1 ZINC001009615708 640960594 /nfs/dbraw/zinc/96/05/94/640960594.db2.gz CTQNZSQYDPLCSB-AWEZNQCLSA-N 1 1 292.448 3.081 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cc(Cl)ccc2C)C1 ZINC001015867950 640986494 /nfs/dbraw/zinc/98/64/94/640986494.db2.gz MTIVBTCKRJKMFU-AWEZNQCLSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC001016169538 640992192 /nfs/dbraw/zinc/99/21/92/640992192.db2.gz VKNNEIJAFGLETF-QGZVFWFLSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cccc3ccccc32)C1 ZINC001016158171 640992783 /nfs/dbraw/zinc/99/27/83/640992783.db2.gz ALHZVIHSHOUHIA-INIZCTEOSA-N 1 1 294.398 3.220 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)c1cc(C)[nH]c1C ZINC001155497298 805586365 /nfs/dbraw/zinc/58/63/65/805586365.db2.gz ZPFKGPMKTRPEMG-CQSZACIVSA-N 1 1 291.439 3.038 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)CC1CCCCCC1 ZINC001155509306 805587446 /nfs/dbraw/zinc/58/74/46/805587446.db2.gz DRBYKDGBXJFWRM-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@H](CCC)C(C)C ZINC001155547143 805589444 /nfs/dbraw/zinc/58/94/44/805589444.db2.gz OGEOUAAWZWIRMP-HZPDHXFCSA-N 1 1 282.472 3.461 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)CCCCC ZINC001155654500 805599571 /nfs/dbraw/zinc/59/95/71/805599571.db2.gz QNQHPYDAUWZINO-DLBZAZTESA-N 1 1 294.483 3.443 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)c1ccc(C)o1 ZINC001155703160 805604993 /nfs/dbraw/zinc/60/49/93/805604993.db2.gz BWVWRNJLDQIOLU-UKRRQHHQSA-N 1 1 292.423 3.094 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC12CCCC2 ZINC001156218885 805667023 /nfs/dbraw/zinc/66/70/23/805667023.db2.gz YABAQPHFABFDCA-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](CC)CC(C)C ZINC001156277718 805669793 /nfs/dbraw/zinc/66/97/93/805669793.db2.gz XFKKSRDOLOUQMU-HZPDHXFCSA-N 1 1 282.472 3.461 20 30 CGEDMO C[N@H+]1CCC[C@H](CCNc2nccc3ccc(C#N)cc32)C1 ZINC001156378931 805680017 /nfs/dbraw/zinc/68/00/17/805680017.db2.gz RFRIPMBNEWKJEL-CQSZACIVSA-N 1 1 294.402 3.250 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](F)CCCCCC ZINC001156403534 805684610 /nfs/dbraw/zinc/68/46/10/805684610.db2.gz HOPWQNJMGHAGAJ-HUUCEWRRSA-N 1 1 286.435 3.308 20 30 CGEDMO Cc1ccc(CC#N)c(N[C@@H](C)c2ccc(F)cn2)[nH+]1 ZINC001156678805 805725113 /nfs/dbraw/zinc/72/51/13/805725113.db2.gz JNPZVISHOAXLQX-NSHDSACASA-N 1 1 270.311 3.163 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)c1ccccc1C ZINC001157047479 805768210 /nfs/dbraw/zinc/76/82/10/805768210.db2.gz SZOXYSYKDWRDRJ-HZPDHXFCSA-N 1 1 288.435 3.111 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H](C)[N@@H+](CC)CC2CC2)CCCC1 ZINC001157364297 805800121 /nfs/dbraw/zinc/80/01/21/805800121.db2.gz NGFYDLCPIXDXSM-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CC ZINC001157384071 805803403 /nfs/dbraw/zinc/80/34/03/805803403.db2.gz POTGSMMLULLDQB-MRXNPFEDSA-N 1 1 280.456 3.456 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)CC1CC1 ZINC001157422007 805809948 /nfs/dbraw/zinc/80/99/48/805809948.db2.gz GBWTWXPUECGZMJ-NVXWUHKLSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C1CCCC1 ZINC001157422659 805810443 /nfs/dbraw/zinc/81/04/43/805810443.db2.gz NDCGDRAPHCLMGP-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CC1CCCC1 ZINC001157476451 805819326 /nfs/dbraw/zinc/81/93/26/805819326.db2.gz DESQOHHZAIUXHM-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)CC ZINC001157546064 805831186 /nfs/dbraw/zinc/83/11/86/805831186.db2.gz QCAFXXOWSDABCI-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC=CCC1 ZINC001157517126 805826251 /nfs/dbraw/zinc/82/62/51/805826251.db2.gz SWDBIVCIFBQXBC-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO CC(C)[NH+]1CC(Nc2nc(-c3cccs3)ccc2C#N)C1 ZINC001157530136 805827921 /nfs/dbraw/zinc/82/79/21/805827921.db2.gz RUPUNCJPHTXOSY-UHFFFAOYSA-N 1 1 298.415 3.186 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCCN1C(=O)C(C)C ZINC001157546114 805830770 /nfs/dbraw/zinc/83/07/70/805830770.db2.gz SFERHVKXHZGORK-JKSUJKDBSA-N 1 1 280.456 3.310 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCC ZINC001157561605 805835525 /nfs/dbraw/zinc/83/55/25/805835525.db2.gz NTNNNUIAYHUWRX-CQSZACIVSA-N 1 1 286.847 3.242 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)CCCC ZINC001157561605 805835535 /nfs/dbraw/zinc/83/55/35/805835535.db2.gz NTNNNUIAYHUWRX-CQSZACIVSA-N 1 1 286.847 3.242 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCC1CCC1 ZINC001157768156 805866385 /nfs/dbraw/zinc/86/63/85/805866385.db2.gz AVCDVMQKTMUZLH-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCC1CCC1 ZINC001157775393 805868047 /nfs/dbraw/zinc/86/80/47/805868047.db2.gz OCNYLDRKWUVPAW-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C(F)=C(C)C ZINC001157796644 805872256 /nfs/dbraw/zinc/87/22/56/805872256.db2.gz MZOCFZVAQHXMNV-CQSZACIVSA-N 1 1 282.403 3.139 20 30 CGEDMO C=CCCCC[N@H+](C)C[C@H](O)COc1ccccc1C ZINC001251701889 805920693 /nfs/dbraw/zinc/92/06/93/805920693.db2.gz ZWRKBSGKEXEKCV-INIZCTEOSA-N 1 1 277.408 3.023 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)C1CCC1 ZINC001158117760 805923128 /nfs/dbraw/zinc/92/31/28/805923128.db2.gz FOYBFTOOMBLRPX-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C1(CCF)CC1 ZINC001158296957 805935263 /nfs/dbraw/zinc/93/52/63/805935263.db2.gz YLGVMQFQRLTJGZ-OAHLLOKOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CC1 ZINC001158376846 805947181 /nfs/dbraw/zinc/94/71/81/805947181.db2.gz CPVVRVFGXWLBBM-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C#C[C@](C)(CC)Nc1cc(OC)c2ccccc2[nH+]1 ZINC001158742339 805994161 /nfs/dbraw/zinc/99/41/61/805994161.db2.gz DWULPJSQAAOBIZ-MRXNPFEDSA-N 1 1 254.333 3.457 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCCC(=O)[C@@H](C)C1 ZINC001252123620 806011341 /nfs/dbraw/zinc/01/13/41/806011341.db2.gz KGDSOVQIIKPYLF-JKSUJKDBSA-N 1 1 283.456 3.399 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+](CC)CC(C)(C)O ZINC001252130595 806016411 /nfs/dbraw/zinc/01/64/11/806016411.db2.gz UMSWSIDYDSGJDV-OAHLLOKOSA-N 1 1 273.461 3.191 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+](CCC(=O)OC)C1CC1 ZINC001252132739 806018387 /nfs/dbraw/zinc/01/83/87/806018387.db2.gz KNWNWJOOLXXWNK-MRXNPFEDSA-N 1 1 299.455 3.125 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC001252130848 806018603 /nfs/dbraw/zinc/01/86/03/806018603.db2.gz ZEKZBXRNLMACLA-IXDOHACOSA-N 1 1 284.488 3.122 20 30 CGEDMO CCCCCCC[N@@H+](C)C[C@@H](O)COCc1ccccc1 ZINC001252281877 806036667 /nfs/dbraw/zinc/03/66/67/806036667.db2.gz MTZCBYYVTHWJFR-GOSISDBHSA-N 1 1 293.451 3.466 20 30 CGEDMO CCCc1cc(NCc2ccc(C#N)c(F)c2)nc(C)[nH+]1 ZINC001159084592 806040223 /nfs/dbraw/zinc/04/02/23/806040223.db2.gz NTCMJUDZNQKLIP-UHFFFAOYSA-N 1 1 284.338 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)c2cccc(C)c2)CC1 ZINC001159143805 806050548 /nfs/dbraw/zinc/05/05/48/806050548.db2.gz GIYOIUUZVCINEF-UHFFFAOYSA-N 1 1 298.430 3.323 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001252554115 806062515 /nfs/dbraw/zinc/06/25/15/806062515.db2.gz BIXQAXAGTOHSAS-ZFWWWQNUSA-N 1 1 299.336 3.432 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCSC[C@H]1c1ccc(F)cc1 ZINC001252599812 806081177 /nfs/dbraw/zinc/08/11/77/806081177.db2.gz KIRLMTCKSCMFIQ-HOTGVXAUSA-N 1 1 295.423 3.243 20 30 CGEDMO C=CCC[C@@H](O)C[NH2+]CCP(C(C)C)C(C)C ZINC001252623488 806093403 /nfs/dbraw/zinc/09/34/03/806093403.db2.gz LBMITHOYYWALTP-CQSZACIVSA-N 1 1 259.374 3.202 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)CCC)CC1 ZINC001159607540 806130407 /nfs/dbraw/zinc/13/04/07/806130407.db2.gz VOBNIHKJAQRQME-HNNXBMFYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCCOC(C)(C)C1 ZINC001253240103 806189796 /nfs/dbraw/zinc/18/97/96/806189796.db2.gz ZGHUZCDHCWSIEU-INIZCTEOSA-N 1 1 283.456 3.375 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@@H](OCCC)C1 ZINC001253238451 806190560 /nfs/dbraw/zinc/19/05/60/806190560.db2.gz DYPGELLNQPGMKW-DLBZAZTESA-N 1 1 283.456 3.375 20 30 CGEDMO C#C[C@H]1CCC[N@H+](C[C@@H](O)CCCCCCC=C)C1 ZINC001253241001 806192978 /nfs/dbraw/zinc/19/29/78/806192978.db2.gz QNWMGERXFZLXDM-IRXDYDNUSA-N 1 1 263.425 3.219 20 30 CGEDMO N#Cc1c[nH]c2cc[nH+]c(NCCOC3CCCCC3)c12 ZINC001160277839 806247744 /nfs/dbraw/zinc/24/77/44/806247744.db2.gz KBZVAWCUKRDNMO-UHFFFAOYSA-N 1 1 284.363 3.196 20 30 CGEDMO C=C[C@@H](O)C[N@@H+](Cc1ccccc1)C1CCCCC1 ZINC001253573181 806262056 /nfs/dbraw/zinc/26/20/56/806262056.db2.gz RTWGPMZJXKDMNB-QGZVFWFLSA-N 1 1 259.393 3.368 20 30 CGEDMO C=CC(C)(C)C(=O)NCCC1=CC[N@@H+](CCC(=C)C)CC1 ZINC001160888402 806317831 /nfs/dbraw/zinc/31/78/31/806317831.db2.gz WPXRNXUABBTQGU-UHFFFAOYSA-N 1 1 290.451 3.303 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)C[C@@H]2CC[C@@H](C)C2)CC1 ZINC001160932951 806323303 /nfs/dbraw/zinc/32/33/03/806323303.db2.gz NZZUXMROCQHHIA-NVXWUHKLSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H](C)[C@@H](C)C=C)CC1 ZINC001160942511 806326276 /nfs/dbraw/zinc/32/62/76/806326276.db2.gz ZOBYJHPLUXMHDC-JKSUJKDBSA-N 1 1 290.451 3.159 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)C[C@H](C=C)CC)CC1 ZINC001160968444 806330900 /nfs/dbraw/zinc/33/09/00/806330900.db2.gz VHVXFZZGLOOHFH-MRXNPFEDSA-N 1 1 290.451 3.303 20 30 CGEDMO C=CCC1(C(=O)NCCC2=CC[N@@H+](C(C)C)CC2)CCC1 ZINC001161126234 806352525 /nfs/dbraw/zinc/35/25/25/806352525.db2.gz UFMKYEZARZDNJP-UHFFFAOYSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)C2(CC)CC2)CC1 ZINC001161166824 806355061 /nfs/dbraw/zinc/35/50/61/806355061.db2.gz HGVDJYYZJCRSEG-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C[N@@H+]1CCC[C@@H](N2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001254516496 806435952 /nfs/dbraw/zinc/43/59/52/806435952.db2.gz NEMNXGKWUOWWLC-GOSISDBHSA-N 1 1 297.446 3.028 20 30 CGEDMO C[N@H+]1CCC[C@@H](N2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001254516496 806435957 /nfs/dbraw/zinc/43/59/57/806435957.db2.gz NEMNXGKWUOWWLC-GOSISDBHSA-N 1 1 297.446 3.028 20 30 CGEDMO CN1CCC[C@@H]([NH+]2CCC(c3cccc(C#N)c3)CC2)CC1 ZINC001254522650 806439054 /nfs/dbraw/zinc/43/90/54/806439054.db2.gz IBNZJFVRXVCTEJ-LJQANCHMSA-N 1 1 297.446 3.222 20 30 CGEDMO CCCC[N@H+](CCC#N)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254598003 806456729 /nfs/dbraw/zinc/45/67/29/806456729.db2.gz GBHBXLCVFQBBST-MRXNPFEDSA-N 1 1 287.363 3.078 20 30 CGEDMO CCCC[N@@H+](CCC#N)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254598003 806456730 /nfs/dbraw/zinc/45/67/30/806456730.db2.gz GBHBXLCVFQBBST-MRXNPFEDSA-N 1 1 287.363 3.078 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)CCCCCC)CC1 ZINC001161813947 806461569 /nfs/dbraw/zinc/46/15/69/806461569.db2.gz JUKGZHUZPQDHNW-UHFFFAOYSA-N 1 1 278.440 3.281 20 30 CGEDMO N#C[C@H]1CC[C@@H]([N@@H+]2CCc3c4ccccc4oc3C2)C1 ZINC001254673677 806483228 /nfs/dbraw/zinc/48/32/28/806483228.db2.gz MYWUJDNRJTZEMW-QWHCGFSZSA-N 1 1 266.344 3.483 20 30 CGEDMO N#C[C@H]1CC[C@@H]([N@H+]2CCc3c4ccccc4oc3C2)C1 ZINC001254673677 806483231 /nfs/dbraw/zinc/48/32/31/806483231.db2.gz MYWUJDNRJTZEMW-QWHCGFSZSA-N 1 1 266.344 3.483 20 30 CGEDMO CC[N@@H+](CCc1ccc(OC)cc1)[C@@H]1CC[C@@H](C#N)C1 ZINC001254677825 806484382 /nfs/dbraw/zinc/48/43/82/806484382.db2.gz WUCPAALRLWHZIA-HZPDHXFCSA-N 1 1 272.392 3.252 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCCN(c3ccc(F)cc3)CC2)C1 ZINC001254677240 806484986 /nfs/dbraw/zinc/48/49/86/806484986.db2.gz RKYFSFBVRQFEPX-RHSMWYFYSA-N 1 1 287.382 3.030 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1c1ccc(NCC2COC2)cc1 ZINC001161955810 806489931 /nfs/dbraw/zinc/48/99/31/806489931.db2.gz VYGDYRDBZDPXAC-QGZVFWFLSA-N 1 1 272.392 3.068 20 30 CGEDMO CC1(C)CC(=O)C=C(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001255102650 806544016 /nfs/dbraw/zinc/54/40/16/806544016.db2.gz MQZFPLVTXMMJSM-MRXNPFEDSA-N 1 1 298.430 3.124 20 30 CGEDMO N#CCCN(C1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001255114211 806547630 /nfs/dbraw/zinc/54/76/30/806547630.db2.gz DIJAQFKKTWLELE-IBGZPJMESA-N 1 1 297.446 3.419 20 30 CGEDMO CC[C@H](CC#N)[NH2+][C@H](c1cncc(Cl)c1)C1CC1 ZINC001255161958 806560247 /nfs/dbraw/zinc/56/02/47/806560247.db2.gz DERSAUUPASHWCT-KGLIPLIRSA-N 1 1 263.772 3.468 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(N2CCCCCC2=O)cc1 ZINC001255160669 806560326 /nfs/dbraw/zinc/56/03/26/806560326.db2.gz NHKUOUNIYRHZOJ-INIZCTEOSA-N 1 1 299.418 3.375 20 30 CGEDMO CC[C@H](CC#N)[N@@H+]1CCC[C@@H](Oc2cccc(OC)c2)C1 ZINC001255172936 806566074 /nfs/dbraw/zinc/56/60/74/806566074.db2.gz UDOWCJWTEFPHHV-RHSMWYFYSA-N 1 1 288.391 3.231 20 30 CGEDMO CC[C@H](CC#N)[N@H+]1CCC[C@@H](Oc2cccc(OC)c2)C1 ZINC001255172936 806566078 /nfs/dbraw/zinc/56/60/78/806566078.db2.gz UDOWCJWTEFPHHV-RHSMWYFYSA-N 1 1 288.391 3.231 20 30 CGEDMO CC[C@H](CC#N)[N@@H+]1CCC[C@@H](Sc2ccncc2)C1 ZINC001255173686 806567360 /nfs/dbraw/zinc/56/73/60/806567360.db2.gz OGKGLMFBHBCUID-UKRRQHHQSA-N 1 1 275.421 3.330 20 30 CGEDMO CC[C@H](CC#N)[N@H+]1CCC[C@@H](Sc2ccncc2)C1 ZINC001255173686 806567365 /nfs/dbraw/zinc/56/73/65/806567365.db2.gz OGKGLMFBHBCUID-UKRRQHHQSA-N 1 1 275.421 3.330 20 30 CGEDMO CC[C@@H](CC#N)[NH+]1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC001255174127 806568895 /nfs/dbraw/zinc/56/88/95/806568895.db2.gz RIYNZXGCVRGECN-ZDUSSCGKSA-N 1 1 295.427 3.010 20 30 CGEDMO CCCC[N@@H+](CCC#N)[C@H]1CCC[C@H](C(=O)OCC)C1 ZINC001255367024 806626119 /nfs/dbraw/zinc/62/61/19/806626119.db2.gz KPEKVHOLODVFGL-GJZGRUSLSA-N 1 1 280.412 3.124 20 30 CGEDMO N#C[C@@H]1CCCN1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255399380 806632978 /nfs/dbraw/zinc/63/29/78/806632978.db2.gz QZJORXPQBAHBKM-MSOLQXFVSA-N 1 1 283.419 3.029 20 30 CGEDMO C[C@@H](CC(F)(F)F)[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001255647386 806693556 /nfs/dbraw/zinc/69/35/56/806693556.db2.gz UJRYOQJFZQSWOG-JTQLQIEISA-N 1 1 268.282 3.257 20 30 CGEDMO CCC[C@@H](C)[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC000036790555 798851357 /nfs/dbraw/zinc/85/13/57/798851357.db2.gz HPUXLAICXSOIEF-CQSZACIVSA-N 1 1 260.381 3.448 20 30 CGEDMO CN1[C@@H]2CCC[C@H]1CC([N@H+](C)Cc1ccc(C#N)cc1)C2 ZINC001255680342 806704209 /nfs/dbraw/zinc/70/42/09/806704209.db2.gz OQORWFMJIJLKJA-JWTNVVGKSA-N 1 1 283.419 3.005 20 30 CGEDMO CN1[C@@H]2CCC[C@H]1CC([N@@H+](C)Cc1ccc(C#N)cc1)C2 ZINC001255680342 806704211 /nfs/dbraw/zinc/70/42/11/806704211.db2.gz OQORWFMJIJLKJA-JWTNVVGKSA-N 1 1 283.419 3.005 20 30 CGEDMO C=CCCCCCCN1CCC[N@H+]2CCC[C@H]2C1 ZINC000310716770 799222176 /nfs/dbraw/zinc/22/21/76/799222176.db2.gz WRNGTKUPSCQWFM-INIZCTEOSA-N 1 1 250.430 3.293 20 30 CGEDMO C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(Cl)c(F)c1 ZINC000328099260 799249991 /nfs/dbraw/zinc/24/99/91/799249991.db2.gz KPSXWIWVMYJLEM-GFCCVEGCSA-N 1 1 282.790 3.085 20 30 CGEDMO C#CC[N@@H+](C)CCCN[C@H](C)c1ccc(Cl)c(F)c1 ZINC000328099260 799249997 /nfs/dbraw/zinc/24/99/97/799249997.db2.gz KPSXWIWVMYJLEM-GFCCVEGCSA-N 1 1 282.790 3.085 20 30 CGEDMO C#CC[N@H+](C)CCCN[C@H](C)c1ccc(Cl)c(F)c1 ZINC000328099260 799250001 /nfs/dbraw/zinc/25/00/01/799250001.db2.gz KPSXWIWVMYJLEM-GFCCVEGCSA-N 1 1 282.790 3.085 20 30 CGEDMO C=C(Br)C[NH2+]Cc1ccsc1Cl ZINC000379327666 799349715 /nfs/dbraw/zinc/34/97/15/799349715.db2.gz LUHLJXPWADVIIK-UHFFFAOYSA-N 1 1 266.591 3.400 20 30 CGEDMO C#C[C@](C)(CC)Nc1[nH+]ccc2ccc(OC)cc21 ZINC000384191480 799412758 /nfs/dbraw/zinc/41/27/58/799412758.db2.gz HFVTVFGWMJRWNU-MRXNPFEDSA-N 1 1 254.333 3.457 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](Nc2cc(Cl)cc(C#N)n2)[C@@H](C)C1 ZINC001163362289 806747625 /nfs/dbraw/zinc/74/76/25/806747625.db2.gz MFMGMXLYZJIUMD-SMDDNHRTSA-N 1 1 292.814 3.137 20 30 CGEDMO C[C@@H]1C[C@H](NCC#CC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000398175861 799528414 /nfs/dbraw/zinc/52/84/14/799528414.db2.gz VUDMAHIDVHSXQP-AEFFLSMTSA-N 1 1 284.447 3.289 20 30 CGEDMO C[C@@H]1C[C@H](NCC#CC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000398175861 799528419 /nfs/dbraw/zinc/52/84/19/799528419.db2.gz VUDMAHIDVHSXQP-AEFFLSMTSA-N 1 1 284.447 3.289 20 30 CGEDMO Cc1cnc(CC[N@H+](CCC#N)CC(C)C)c(C)c1 ZINC000401087060 799552893 /nfs/dbraw/zinc/55/28/93/799552893.db2.gz RUHUDMVQRKHOHZ-UHFFFAOYSA-N 1 1 259.397 3.113 20 30 CGEDMO C[N@H+]1CCCC[C@@H]1c1ccc(NC2=CC(=O)CCC2)nc1 ZINC001163453104 806764137 /nfs/dbraw/zinc/76/41/37/806764137.db2.gz QIANUWCFLHUAJR-MRXNPFEDSA-N 1 1 285.391 3.287 20 30 CGEDMO C[C@H]1CCCC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000703238928 799920754 /nfs/dbraw/zinc/92/07/54/799920754.db2.gz AIERRWLHKZVGFL-HNNXBMFYSA-N 1 1 272.392 3.449 20 30 CGEDMO N#Cc1ccc(OCCC[N@H+]2CCC23CCCC3)cc1 ZINC000707334059 799976202 /nfs/dbraw/zinc/97/62/02/799976202.db2.gz XSLITFUOMWARPX-UHFFFAOYSA-N 1 1 270.376 3.346 20 30 CGEDMO CC[C@@H]([NH2+]C[C@H]1CCCN(CC)C1)c1ccc(C#N)cc1 ZINC001256026379 806807152 /nfs/dbraw/zinc/80/71/52/806807152.db2.gz SKGKJAVWLNNRFA-SJLPKXTDSA-N 1 1 285.435 3.331 20 30 CGEDMO C#CCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000714970254 800129618 /nfs/dbraw/zinc/12/96/18/800129618.db2.gz WOKWWJZDJRKCII-WOJBJXKFSA-N 1 1 296.458 3.386 20 30 CGEDMO C#CCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000714970254 800129623 /nfs/dbraw/zinc/12/96/23/800129623.db2.gz WOKWWJZDJRKCII-WOJBJXKFSA-N 1 1 296.458 3.386 20 30 CGEDMO C#CCCCN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000714970254 800129629 /nfs/dbraw/zinc/12/96/29/800129629.db2.gz WOKWWJZDJRKCII-WOJBJXKFSA-N 1 1 296.458 3.386 20 30 CGEDMO C#CCCCN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000714970254 800129632 /nfs/dbraw/zinc/12/96/32/800129632.db2.gz WOKWWJZDJRKCII-WOJBJXKFSA-N 1 1 296.458 3.386 20 30 CGEDMO CCc1[nH+]c(C)cn1Cc1ccc(C#N)cc1Cl ZINC000715144331 800132882 /nfs/dbraw/zinc/13/28/82/800132882.db2.gz GNDJEOJARPOKBZ-UHFFFAOYSA-N 1 1 259.740 3.327 20 30 CGEDMO CC[C@@H]([NH2+]C[C@@H]1CCCN(CC)C1)c1ccc(C#N)cc1 ZINC001256026377 806807508 /nfs/dbraw/zinc/80/75/08/806807508.db2.gz SKGKJAVWLNNRFA-FUHWJXTLSA-N 1 1 285.435 3.331 20 30 CGEDMO C=CCC1(O)CCN(c2cc(C(C)(C)C)cc[nH+]2)CC1 ZINC000717396135 800202523 /nfs/dbraw/zinc/20/25/23/800202523.db2.gz DMTSKAVOKJAJHH-UHFFFAOYSA-N 1 1 274.408 3.287 20 30 CGEDMO CC[C@@H](CC#N)N1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000717470907 800203476 /nfs/dbraw/zinc/20/34/76/800203476.db2.gz QWWXKMNBGPNWAV-KRWDZBQOSA-N 1 1 285.435 3.275 20 30 CGEDMO C=C[C@H](CO)[NH2+][C@H](C)c1cc(Cl)cc(Cl)c1F ZINC000717521433 800204007 /nfs/dbraw/zinc/20/40/07/800204007.db2.gz LGMOIJYHRJMVOU-VXNVDRBHSA-N 1 1 278.154 3.330 20 30 CGEDMO Cc1ccc(C[NH2+]C[C@H](C)C#N)c(C)c1Br ZINC000719586969 800244149 /nfs/dbraw/zinc/24/41/49/800244149.db2.gz XCWUMCSCDVFTMV-SECBINFHSA-N 1 1 281.197 3.315 20 30 CGEDMO C[C@@H]1Cc2cc(C[N@H+]3CCC[C@H](CC#N)C3)ccc2O1 ZINC000720829714 800268452 /nfs/dbraw/zinc/26/84/52/800268452.db2.gz QXUUXHFVKRJOAK-ZIAGYGMSSA-N 1 1 270.376 3.136 20 30 CGEDMO CC(C)[C@H]1CCC[N@@H+](Cc2cncc(C#N)c2)CC1 ZINC000721562256 800294746 /nfs/dbraw/zinc/29/47/46/800294746.db2.gz UUJXUEZFJGYNEN-INIZCTEOSA-N 1 1 257.381 3.211 20 30 CGEDMO C[N@H+](CCC#N)[C@H]1CCc2cccc(Br)c2C1 ZINC001256132366 806830684 /nfs/dbraw/zinc/83/06/84/806830684.db2.gz OWXLMKAFCHHYNL-LBPRGKRZSA-N 1 1 293.208 3.152 20 30 CGEDMO C[N@@H+](CCC#N)[C@H]1CCc2cccc(Br)c2C1 ZINC001256132366 806830692 /nfs/dbraw/zinc/83/06/92/806830692.db2.gz OWXLMKAFCHHYNL-LBPRGKRZSA-N 1 1 293.208 3.152 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)Cc2ccccc2O)cc1 ZINC000809548678 800445131 /nfs/dbraw/zinc/44/51/31/800445131.db2.gz HUEHGMOMUXQHDS-UHFFFAOYSA-N 1 1 251.329 3.006 20 30 CGEDMO Cc1cccc([C@H](O)C[N@H+](C)Cc2cc(C#N)cs2)c1 ZINC000933770858 800675989 /nfs/dbraw/zinc/67/59/89/800675989.db2.gz UIHUAVMXZBJTAO-MRXNPFEDSA-N 1 1 286.400 3.094 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)c(C)o2)[C@H]1C ZINC000993206467 800694529 /nfs/dbraw/zinc/69/45/29/800694529.db2.gz JKZWSZMAFAMJHJ-UKRRQHHQSA-N 1 1 290.407 3.055 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cccc(C)c2)C1 ZINC001023216339 800708660 /nfs/dbraw/zinc/70/86/60/800708660.db2.gz WUSCTGOGLYFBTK-INIZCTEOSA-N 1 1 286.419 3.013 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](CNC(=O)c2ccc3occc3c2)C1 ZINC001023385868 800710659 /nfs/dbraw/zinc/71/06/59/800710659.db2.gz ZLFHLKHRZNVCOV-AWEZNQCLSA-N 1 1 298.386 3.061 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001023771228 800714750 /nfs/dbraw/zinc/71/47/50/800714750.db2.gz KWFQHDGZBRPVLW-QQFBHYJXSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001023769290 800715875 /nfs/dbraw/zinc/71/58/75/800715875.db2.gz YSRPHFRZWQIYTO-JKSUJKDBSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC001024380289 800726821 /nfs/dbraw/zinc/72/68/21/800726821.db2.gz JJYMYUOGUARGCN-AWEZNQCLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccsc1C ZINC001024433893 800728591 /nfs/dbraw/zinc/72/85/91/800728591.db2.gz PPJXTHZIIWWZIT-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@H]1CNC(=O)C1CCC(=C)CC1 ZINC001024631129 800732341 /nfs/dbraw/zinc/73/23/41/800732341.db2.gz FXNKBXGBBCZICZ-KRWDZBQOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccoc1CCC ZINC001024755909 800735389 /nfs/dbraw/zinc/73/53/89/800735389.db2.gz CEBWYKYQYXAQEB-CQSZACIVSA-N 1 1 290.407 3.002 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(F)s1 ZINC001024824645 800736724 /nfs/dbraw/zinc/73/67/24/800736724.db2.gz SJRCZFANVJZAKF-GFCCVEGCSA-N 1 1 296.411 3.048 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC(C)C ZINC001025191156 800747351 /nfs/dbraw/zinc/74/73/51/800747351.db2.gz FZGOHPHGZUUYMM-CVEARBPZSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(F)=C(C)C ZINC001025214795 800750491 /nfs/dbraw/zinc/75/04/91/800750491.db2.gz FJPVZGPTIKMBNH-LSDHHAIUSA-N 1 1 294.414 3.281 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)CC ZINC001025258861 800751376 /nfs/dbraw/zinc/75/13/76/800751376.db2.gz KCNGLIWMBZTTAM-HZPDHXFCSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1(C)CC1 ZINC001025236387 800752407 /nfs/dbraw/zinc/75/24/07/800752407.db2.gz UDSBJRWDHPYLSL-JKSUJKDBSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2sccc2C)C1 ZINC001025310200 800753008 /nfs/dbraw/zinc/75/30/08/800753008.db2.gz FUJABVOKAUFHGL-KGLIPLIRSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccsc2)C1 ZINC001025335263 800756948 /nfs/dbraw/zinc/75/69/48/800756948.db2.gz ALBOFHWPVZEYQV-ZIAGYGMSSA-N 1 1 292.448 3.155 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CC(C)(C)C2)C1 ZINC001025412524 800761131 /nfs/dbraw/zinc/76/11/31/800761131.db2.gz VUKRGAOJENTZLW-LSDHHAIUSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2csc(C)c2)C1 ZINC001025562913 800764710 /nfs/dbraw/zinc/76/47/10/800764710.db2.gz WEAQJIUODHFTNW-KGLIPLIRSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2cccc(C)c2)C1 ZINC001027281862 800790106 /nfs/dbraw/zinc/79/01/06/800790106.db2.gz ARMRYIVMWOMOHB-QGZVFWFLSA-N 1 1 286.419 3.108 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)C2(C)CCCCCC2)C1 ZINC001027445770 800796597 /nfs/dbraw/zinc/79/65/97/800796597.db2.gz RLIZEGFQSZMISG-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2sc(C)cc2C)C1 ZINC001027428912 800797085 /nfs/dbraw/zinc/79/70/85/800797085.db2.gz GBUHWSXFSZTICB-CQSZACIVSA-N 1 1 292.448 3.087 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)CC)C1 ZINC001027549499 800801747 /nfs/dbraw/zinc/80/17/47/800801747.db2.gz FUWWMDFYYQZUGE-CYBMUJFWSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)CC)C1 ZINC001027549499 800801740 /nfs/dbraw/zinc/80/17/40/800801740.db2.gz FUWWMDFYYQZUGE-CYBMUJFWSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC2(C)C)C1 ZINC001027532601 800802037 /nfs/dbraw/zinc/80/20/37/800802037.db2.gz CSTWDXRRYLFOQB-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)CC2CC(C)(C)C2)C1 ZINC001027541461 800802056 /nfs/dbraw/zinc/80/20/56/800802056.db2.gz RTSOEJBGPHVFBN-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]([N@@H+](C)CC(=C)C)C1 ZINC001027559962 800802625 /nfs/dbraw/zinc/80/26/25/800802625.db2.gz LKSGFXWVMPBGEG-RDJZCZTQSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@H]([N@@H+](C)CC(C)C)C1 ZINC001027560126 800803337 /nfs/dbraw/zinc/80/33/37/800803337.db2.gz QPOUXSBTOLRVGH-DOTOQJQBSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC=CCCC1 ZINC001027966798 800827296 /nfs/dbraw/zinc/82/72/96/800827296.db2.gz LKFMGCKVDHQBBA-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(CC)s1 ZINC001028009598 800827978 /nfs/dbraw/zinc/82/79/78/800827978.db2.gz NEIRNIHYWNTEPR-CYBMUJFWSA-N 1 1 292.448 3.081 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1Cl ZINC001028275649 800837500 /nfs/dbraw/zinc/83/75/00/800837500.db2.gz AHMHWONEGHAQOK-ZDUSSCGKSA-N 1 1 292.810 3.110 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)C12CCC(CC1)CC2 ZINC001028330360 800841806 /nfs/dbraw/zinc/84/18/06/800841806.db2.gz GGLJPEMZSHHCSB-UPTPFMHGSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)c2sccc2C)C1 ZINC001028375181 800847215 /nfs/dbraw/zinc/84/72/15/800847215.db2.gz IQWXWUHEIXWRCI-CQSZACIVSA-N 1 1 292.448 3.074 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)c2cc(Cl)ccc2C)C1 ZINC001031120773 800903292 /nfs/dbraw/zinc/90/32/92/800903292.db2.gz WJKPJVKZCBKLFK-UHFFFAOYSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CCC[NH+]1CC(NC(=O)C[C@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC001031112369 800904017 /nfs/dbraw/zinc/90/40/17/800904017.db2.gz VDPGPDHLEURZJT-LSDHHAIUSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(F)=C1CCCC1 ZINC001032353938 800926617 /nfs/dbraw/zinc/92/66/17/800926617.db2.gz KDBAEQGULJSSTI-GJZGRUSLSA-N 1 1 292.398 3.035 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC(C)(C)C1 ZINC001032612827 800932331 /nfs/dbraw/zinc/93/23/31/800932331.db2.gz CMRMCBHGLNWMJV-PMPSAXMXSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(C)(C)C)cc1 ZINC001032748449 800934107 /nfs/dbraw/zinc/93/41/07/800934107.db2.gz OTNMVTGBVMCECN-IRXDYDNUSA-N 1 1 298.430 3.069 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(C)(C)C)cc1 ZINC001032748449 800934114 /nfs/dbraw/zinc/93/41/14/800934114.db2.gz OTNMVTGBVMCECN-IRXDYDNUSA-N 1 1 298.430 3.069 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)C2CCCCCC2)C1 ZINC001032953966 800945610 /nfs/dbraw/zinc/94/56/10/800945610.db2.gz SFEJDDYCJLAUOO-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2cscc2C)C1 ZINC001032986976 800947552 /nfs/dbraw/zinc/94/75/52/800947552.db2.gz NMKVPZPKCRQLDN-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001033093168 800951962 /nfs/dbraw/zinc/95/19/62/800951962.db2.gz XJMDHKZMDJXRHO-HRCADAONSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2coc3c2cccc3C)C1 ZINC001033154886 800953795 /nfs/dbraw/zinc/95/37/95/800953795.db2.gz QZXRPTLJOWZNSR-CQSZACIVSA-N 1 1 298.386 3.074 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC23CC3)C1 ZINC001033196904 800955217 /nfs/dbraw/zinc/95/52/17/800955217.db2.gz OFYVBLQMDSKYMT-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C2CCC(F)CC2)C1 ZINC001033384679 800963070 /nfs/dbraw/zinc/96/30/70/800963070.db2.gz WBZFUNHSBCJGNM-GPANFISMSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2C2(C)CC2)C1 ZINC001033419050 800964894 /nfs/dbraw/zinc/96/48/94/800964894.db2.gz XIDBAQKGDPACTA-OAHLLOKOSA-N 1 1 298.430 3.070 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C=C)cc2)C1 ZINC001033452004 800965868 /nfs/dbraw/zinc/96/58/68/800965868.db2.gz FPWBAFXCUIIPMP-KRWDZBQOSA-N 1 1 284.403 3.052 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(C3CCC3)c2)C1 ZINC001033579788 800967511 /nfs/dbraw/zinc/96/75/11/800967511.db2.gz BMCVCKCYGGMHCW-GOSISDBHSA-N 1 1 298.430 3.286 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)C2CCCC2)C1 ZINC001033573823 800967667 /nfs/dbraw/zinc/96/76/67/800967667.db2.gz KEHNZQBNGOZSJJ-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC23CCCC3)C1 ZINC001033561349 800968447 /nfs/dbraw/zinc/96/84/47/800968447.db2.gz KNGMWTQVVPTQCH-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C)c(C)c2)C1 ZINC001033634797 800971575 /nfs/dbraw/zinc/97/15/75/800971575.db2.gz YMPISQTUMXJBPV-KRWDZBQOSA-N 1 1 286.419 3.026 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)C2CCCCC2)C1 ZINC001033736175 800979924 /nfs/dbraw/zinc/97/99/24/800979924.db2.gz IQCFYMQTAOPFAT-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C)s2)C1 ZINC001033734424 800980276 /nfs/dbraw/zinc/98/02/76/800980276.db2.gz PLECBDAJICZSJM-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001033835526 800985178 /nfs/dbraw/zinc/98/51/78/800985178.db2.gz ZCRARIRJKXJSJQ-ARFHVFGLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)C2CCC(=C)CC2)C1 ZINC001033946935 800991927 /nfs/dbraw/zinc/99/19/27/800991927.db2.gz ZAOVSNGJJAJSMG-QGZVFWFLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C)cc2C)C1 ZINC001034033139 800995172 /nfs/dbraw/zinc/99/51/72/800995172.db2.gz BEBCIWMSGZVVOV-MRXNPFEDSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)C2CCCCC2)C1 ZINC001034083597 801002139 /nfs/dbraw/zinc/00/21/39/801002139.db2.gz SMZCUDFJGQVGTA-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)C[C@H]2C=CCC2)C1 ZINC001034094822 801003899 /nfs/dbraw/zinc/00/38/99/801003899.db2.gz IKWZTHRBIHUSPW-LSDHHAIUSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)C[C@H]2C=CCC2)C1 ZINC001034094822 801003906 /nfs/dbraw/zinc/00/39/06/801003906.db2.gz IKWZTHRBIHUSPW-LSDHHAIUSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)CC2CCCC2)C1 ZINC001034090693 801004346 /nfs/dbraw/zinc/00/43/46/801004346.db2.gz LPJIJDWMVMHGNM-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001034106408 801006036 /nfs/dbraw/zinc/00/60/36/801006036.db2.gz ZRVQVKJLEYGHSG-GFCCVEGCSA-N 1 1 296.798 3.093 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001034153170 801008036 /nfs/dbraw/zinc/00/80/36/801008036.db2.gz BXMDJGUSZJGYJA-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001034222366 801012759 /nfs/dbraw/zinc/01/27/59/801012759.db2.gz CLKHAIYLTMQPGV-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)C2(C3CC3)CC2)C1 ZINC001034256700 801013535 /nfs/dbraw/zinc/01/35/35/801013535.db2.gz FSSHCCDZHATNTN-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@H](C)C2CCC2)C1 ZINC001034263709 801015444 /nfs/dbraw/zinc/01/54/44/801015444.db2.gz BCASFCMMWMWLQJ-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CCCC[N@H+](CC(C)C)C2)CC1 ZINC001034382745 801022549 /nfs/dbraw/zinc/02/25/49/801022549.db2.gz SVOUVBGNBXCZJK-QGZVFWFLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001034389859 801024282 /nfs/dbraw/zinc/02/42/82/801024282.db2.gz PADZZSILMILZFE-BRWVUGGUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H](C)c2ccsc2)C1 ZINC001034395781 801025357 /nfs/dbraw/zinc/02/53/57/801025357.db2.gz ZEDNPNZKYFPBIJ-DZGCQCFKSA-N 1 1 292.448 3.008 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC23CCCC3)C1 ZINC001034477788 801028651 /nfs/dbraw/zinc/02/86/51/801028651.db2.gz PSOCAVICMLVRBJ-HZPDHXFCSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@H](NC(=O)C2CCC=CCC2)C1 ZINC001034531952 801032067 /nfs/dbraw/zinc/03/20/67/801032067.db2.gz ODVKMDGEJRUPAP-KRWDZBQOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)/C(C)=C\C)CC2 ZINC001035171979 801053516 /nfs/dbraw/zinc/05/35/16/801053516.db2.gz IGHAVCGNXYJPKB-PQMHYQBVSA-N 1 1 296.842 3.020 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC3(CC[N@H+](CCC)C3)CC2)C1 ZINC001035226475 801055576 /nfs/dbraw/zinc/05/55/76/801055576.db2.gz JBLNCXOZKZNBQX-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CC3CCCC3)CC[C@H]21 ZINC001036633440 801085451 /nfs/dbraw/zinc/08/54/51/801085451.db2.gz CGNZGYIJISZGKV-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CN(C(=O)C3CCCCCC3)CC[C@@H]21 ZINC001036665569 801087267 /nfs/dbraw/zinc/08/72/67/801087267.db2.gz VVIXYOKZTGVNNZ-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCC(C)C)C1 ZINC001036789882 801089707 /nfs/dbraw/zinc/08/97/07/801089707.db2.gz ZBHZHGYEZKERHZ-JKSUJKDBSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CC(C)C)C1 ZINC001036791758 801090850 /nfs/dbraw/zinc/09/08/50/801090850.db2.gz DHKFCDYOADZLAT-JKSUJKDBSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C)ccc3C)CC[C@@H]21 ZINC001036878903 801092725 /nfs/dbraw/zinc/09/27/25/801092725.db2.gz DFJDZYYFWSIOND-AEFFLSMTSA-N 1 1 298.430 3.026 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(C)cc3)CC[C@@H]21 ZINC001036879237 801093570 /nfs/dbraw/zinc/09/35/70/801093570.db2.gz JSGBDFDFUOFOCP-ROUUACIJSA-N 1 1 298.430 3.108 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)C1CCCCCC1 ZINC001038107037 801118570 /nfs/dbraw/zinc/11/85/70/801118570.db2.gz ZTELSSICKXRKSD-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)C1CCCCCC1 ZINC001038107036 801119078 /nfs/dbraw/zinc/11/90/78/801119078.db2.gz ZTELSSICKXRKSD-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C1CCC(C(=O)NC[C@H]2CC[N@@H+]2CCC(C)(C)C)CC1 ZINC001038660078 801130037 /nfs/dbraw/zinc/13/00/37/801130037.db2.gz FJHYBQJVRNAHQL-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CC(CC)CC)CC1 ZINC001038666669 801130928 /nfs/dbraw/zinc/13/09/28/801130928.db2.gz IMCGTVDZPPFJOX-KRWDZBQOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1cc(Cl)ccc1C ZINC001038824307 801134208 /nfs/dbraw/zinc/13/42/08/801134208.db2.gz ZSHZLEJHUGQTNA-AWEZNQCLSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]1CNC(=O)c1ccc2ccccc2c1 ZINC001038956124 801138301 /nfs/dbraw/zinc/13/83/01/801138301.db2.gz MGEJWDZPIFTTAK-SFHVURJKSA-N 1 1 294.398 3.220 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)c(C)s1 ZINC001038997475 801139925 /nfs/dbraw/zinc/13/99/25/801139925.db2.gz DBXDZNHEUBUUIW-AWEZNQCLSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C2CCC2)C1 ZINC001039178418 801150752 /nfs/dbraw/zinc/15/07/52/801150752.db2.gz PQUZFALIFYIMSD-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C2CC2)C1 ZINC001039186078 801152152 /nfs/dbraw/zinc/15/21/52/801152152.db2.gz XILVJLRDARTSIO-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C(C)C)C1 ZINC001039190406 801152431 /nfs/dbraw/zinc/15/24/31/801152431.db2.gz MBUZEGQHBFXRJX-GJZGRUSLSA-N 1 1 298.858 3.098 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C(CC)CC)C1 ZINC001039193760 801153236 /nfs/dbraw/zinc/15/32/36/801153236.db2.gz QDHILGQBECJVJV-IRXDYDNUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(CC)CC1 ZINC001039430441 801162087 /nfs/dbraw/zinc/16/20/87/801162087.db2.gz CXPHMCFUHQCZTM-CVEARBPZSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)CCC3CC3)C2)C1 ZINC001040125044 801173493 /nfs/dbraw/zinc/17/34/93/801173493.db2.gz ZPKLEHOSAIINLM-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@H+]1CCC[C@]2(CCN(C(=O)CC3CCC3)C2)C1 ZINC001040136209 801173955 /nfs/dbraw/zinc/17/39/55/801173955.db2.gz FSYOZWDKWALRDS-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC)C2 ZINC001040328811 801175755 /nfs/dbraw/zinc/17/57/55/801175755.db2.gz QFDSUNZKRBLFET-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3C)C[C@H]21 ZINC001041916949 801196995 /nfs/dbraw/zinc/19/69/95/801196995.db2.gz PYVYKLPGZNRDSB-SJLPKXTDSA-N 1 1 298.430 3.108 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)CC3CCCC3)C[C@@H]21 ZINC001041915402 801197612 /nfs/dbraw/zinc/19/76/12/801197612.db2.gz HCHJRUSWACACRI-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)C(=C)C)C[C@@H]21 ZINC001042183587 801201838 /nfs/dbraw/zinc/20/18/38/801201838.db2.gz LTNLOYJFUPVDGJ-HOTGVXAUSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C3(C)CCC3)C[C@@H]21 ZINC001042186868 801202656 /nfs/dbraw/zinc/20/26/56/801202656.db2.gz KHOUCBAJFRGCKH-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[NH+]1CC(N(C)C(=O)c2csc(C)c2C)C1 ZINC001042785778 801214957 /nfs/dbraw/zinc/21/49/57/801214957.db2.gz YPVFDDNCFCMFEU-UHFFFAOYSA-N 1 1 292.448 3.087 20 30 CGEDMO C=CCC[NH+]1CC(N(C)C(=O)c2cc(C)ccc2C2CC2)C1 ZINC001043460080 801219620 /nfs/dbraw/zinc/21/96/20/801219620.db2.gz DPADSFCLGWDKGZ-UHFFFAOYSA-N 1 1 298.430 3.205 20 30 CGEDMO C=C(C)CC[NH+]1CC(N(C)C(=O)c2occc2C(C)C)C1 ZINC001043618181 801221474 /nfs/dbraw/zinc/22/14/74/801221474.db2.gz BXZIWYGEWWDUMD-UHFFFAOYSA-N 1 1 290.407 3.125 20 30 CGEDMO C=C(C)CC[NH+]1CC(N(C)C(=O)c2csc(Cl)c2)C1 ZINC001044008081 801229087 /nfs/dbraw/zinc/22/90/87/801229087.db2.gz QOYRLJWTIBEOFN-UHFFFAOYSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)F)C2 ZINC001045906759 801291409 /nfs/dbraw/zinc/29/14/09/801291409.db2.gz IJFRZRRYZRJDPR-QGZVFWFLSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C=C(C)C)C2 ZINC001045909486 801292001 /nfs/dbraw/zinc/29/20/01/801292001.db2.gz PWSRYLPIWWCHKD-SFHVURJKSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)C)C2 ZINC001045918261 801293038 /nfs/dbraw/zinc/29/30/38/801293038.db2.gz IJOZEZLZCYIRCC-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)C2CCC3(CC3)CC2)C1 ZINC001046492425 801312702 /nfs/dbraw/zinc/31/27/02/801312702.db2.gz KSDMUGDJAVABAS-QGZVFWFLSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C1CCC(C(=O)N[C@]2(C)CC[N@@H+](CC3CCC3)C2)CC1 ZINC001046594970 801316576 /nfs/dbraw/zinc/31/65/76/801316576.db2.gz TUYHAVMZNCUAIF-GOSISDBHSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C3CC3)s2)C1 ZINC001046768822 801323292 /nfs/dbraw/zinc/32/32/92/801323292.db2.gz HVHLVXBKXNXXNA-INIZCTEOSA-N 1 1 290.432 3.006 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001046792081 801324849 /nfs/dbraw/zinc/32/48/49/801324849.db2.gz BNOKWOCOHLGGDL-GOSISDBHSA-N 1 1 286.419 3.190 20 30 CGEDMO C#CCC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001046792277 801325147 /nfs/dbraw/zinc/32/51/47/801325147.db2.gz COVFKVJVTZLAMV-IBGZPJMESA-N 1 1 298.430 3.028 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2cc(C)c(C)s2)C1 ZINC001046826145 801327619 /nfs/dbraw/zinc/32/76/19/801327619.db2.gz UTZCFAKDMJTGEX-MRXNPFEDSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC1CCCC1 ZINC001049310297 801365856 /nfs/dbraw/zinc/36/58/56/801365856.db2.gz DKGLREAGWSVLQQ-DLBZAZTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)C(C)(C)C ZINC001049552094 801376311 /nfs/dbraw/zinc/37/63/11/801376311.db2.gz LNCLSKUIDXQDQJ-HRCADAONSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1c(C)cccc1C ZINC001049743677 801387172 /nfs/dbraw/zinc/38/71/72/801387172.db2.gz RTQYXMPFLHMTLQ-DLBZAZTESA-N 1 1 298.430 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)C1CCCC1 ZINC001049834752 801389391 /nfs/dbraw/zinc/38/93/91/801389391.db2.gz DELJPWXPYPUAPL-BHYGNILZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(CC)cc1 ZINC001049875934 801391081 /nfs/dbraw/zinc/39/10/81/801391081.db2.gz NKRDVJXRHRSYKX-QZTJIDSGSA-N 1 1 298.430 3.114 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccc(C)cc1 ZINC001049866126 801392099 /nfs/dbraw/zinc/39/20/99/801392099.db2.gz ZARYAZNSYYOENI-QZTJIDSGSA-N 1 1 298.430 3.250 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(CC)CC ZINC001049910924 801392273 /nfs/dbraw/zinc/39/22/73/801392273.db2.gz WTAYIKRSJLPRIL-HOTGVXAUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccccc3C)[C@@H]2C1 ZINC001049960577 801394837 /nfs/dbraw/zinc/39/48/37/801394837.db2.gz HRDXFMKSMDBEOF-FUHWJXTLSA-N 1 1 298.430 3.108 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C(F)=C2CCCC2)CC1 ZINC001052303243 801430258 /nfs/dbraw/zinc/43/02/58/801430258.db2.gz VOAQBJXLYGPZQH-OAHLLOKOSA-N 1 1 294.414 3.331 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)CC1 ZINC001052392413 801431945 /nfs/dbraw/zinc/43/19/45/801431945.db2.gz XDUHTZZMFXEZAR-HRCADAONSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2Cl)CC1 ZINC001052399388 801435364 /nfs/dbraw/zinc/43/53/64/801435364.db2.gz YYDYZZULFBLMEP-LLVKDONJSA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2cocc2C)CC1 ZINC001052629970 801440972 /nfs/dbraw/zinc/44/09/72/801440972.db2.gz URRWNOCGYZQEGZ-HNNXBMFYSA-N 1 1 290.407 3.139 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC2(C)C)CC1 ZINC001052638418 801443451 /nfs/dbraw/zinc/44/34/51/801443451.db2.gz YGMPBWOQSOLHKS-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC001052694448 801449617 /nfs/dbraw/zinc/44/96/17/801449617.db2.gz SYIBHIVYHLWUDP-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)c(C)s2)CC1 ZINC001052922760 801456770 /nfs/dbraw/zinc/45/67/70/801456770.db2.gz QZWFFIIEPOMQKW-AWEZNQCLSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C=C(C)C)C2)C1 ZINC001052997770 801460711 /nfs/dbraw/zinc/46/07/11/801460711.db2.gz SWYHVNVLUZQWJP-SJORKVTESA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCC)C1 ZINC001053063761 801465738 /nfs/dbraw/zinc/46/57/38/801465738.db2.gz QPWAUAPEDOJTLT-DLBZAZTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)F)C2 ZINC001054068042 801470565 /nfs/dbraw/zinc/47/05/65/801470565.db2.gz CKVAGKFXACZMOW-KRWDZBQOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccc(C)cc1)C2 ZINC001054231987 801479297 /nfs/dbraw/zinc/47/92/97/801479297.db2.gz FWSVWMDBKNNIPF-IBGZPJMESA-N 1 1 298.430 3.109 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccsc2C)CC[C@H]1C ZINC001071493309 801541087 /nfs/dbraw/zinc/54/10/87/801541087.db2.gz ACXZQGALWREUAX-OCCSQVGLSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccc(CC)o2)CC[C@@H]1C ZINC001071619407 801544657 /nfs/dbraw/zinc/54/46/57/801544657.db2.gz OMADCZVRFIXGSX-KBPBESRZSA-N 1 1 290.407 3.001 20 30 CGEDMO C#Cc1ccc(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CCCC)C2)cc1 ZINC001071731658 801547812 /nfs/dbraw/zinc/54/78/12/801547812.db2.gz IAVUDGLEQGGTCK-YJBOKZPZSA-N 1 1 298.430 3.051 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC3CC3)C2)CC1 ZINC001071794576 801552472 /nfs/dbraw/zinc/55/24/72/801552472.db2.gz CWSODKWJOURLKP-RHSMWYFYSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2ccsc2Cl)CC[C@@H]1C ZINC001071868014 801556875 /nfs/dbraw/zinc/55/68/75/801556875.db2.gz GFGDRGGPLNWRCD-WDEREUQCSA-N 1 1 298.839 3.170 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)C2(F)CCCCC2)CC[C@@H]1C ZINC001071963072 801558680 /nfs/dbraw/zinc/55/86/80/801558680.db2.gz DEKXXQLTMFFZAT-LSDHHAIUSA-N 1 1 296.430 3.204 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(C)cc2)CC[C@@H]1C ZINC001072011737 801558977 /nfs/dbraw/zinc/55/89/77/801558977.db2.gz BVNUTCFOELYXNF-RDJZCZTQSA-N 1 1 286.419 3.154 20 30 CGEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C(C)C)cc2)CC[C@@H]1C ZINC001072011994 801560965 /nfs/dbraw/zinc/56/09/65/801560965.db2.gz HDNAHERPKRCGSF-YJBOKZPZSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)C(C)(C)C(C)C)C2)C1 ZINC001072779333 801573272 /nfs/dbraw/zinc/57/32/72/801573272.db2.gz JHTRCQYCMDENOH-UHFFFAOYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+]1CCC2(CN(C(=O)c3cccc(C)c3C)C2)C1 ZINC001073398276 801579234 /nfs/dbraw/zinc/57/92/34/801579234.db2.gz CAHZWHLLTNMGQL-UHFFFAOYSA-N 1 1 298.430 3.027 20 30 CGEDMO C=Cc1ccc(C(=O)N2CC[C@H]3C[N@H+](CC(=C)C)C[C@H]32)cc1 ZINC001076277373 801615806 /nfs/dbraw/zinc/61/58/06/801615806.db2.gz MDMFCWRPGGVJFG-ZWKOTPCHSA-N 1 1 296.414 3.052 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(C)c3C)[C@@H]2C1 ZINC001076522113 801619468 /nfs/dbraw/zinc/61/94/68/801619468.db2.gz ITBNVISDSGJYLQ-FUHWJXTLSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC001080317164 801652709 /nfs/dbraw/zinc/65/27/09/801652709.db2.gz QJBIFCPYENWWPG-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001081018741 801659198 /nfs/dbraw/zinc/65/91/98/801659198.db2.gz LNMQKORTDLEJJJ-OWCLPIDISA-N 1 1 292.467 3.215 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[N@H+](CCCC)[C@H]2C1 ZINC001085024193 801674745 /nfs/dbraw/zinc/67/47/45/801674745.db2.gz BTPANXVXQJXMKB-SOLBZPMBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2occc2c1 ZINC001085610700 801696879 /nfs/dbraw/zinc/69/68/79/801696879.db2.gz ZLMLCFIYWBVCKZ-INIZCTEOSA-N 1 1 298.386 3.155 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC12CC2 ZINC001085670496 801698447 /nfs/dbraw/zinc/69/84/47/801698447.db2.gz XGBYVCKIFWYGIL-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc(C2CCC2)c1 ZINC001085925788 801709736 /nfs/dbraw/zinc/70/97/36/801709736.db2.gz FQEDMLAWHAQHJN-SFHVURJKSA-N 1 1 298.430 3.286 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(C2CCC2)c1 ZINC001085925788 801709738 /nfs/dbraw/zinc/70/97/38/801709738.db2.gz FQEDMLAWHAQHJN-SFHVURJKSA-N 1 1 298.430 3.286 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)cs2)[C@H]1CC ZINC001087747981 801765606 /nfs/dbraw/zinc/76/56/06/801765606.db2.gz HRXSNJSYXBHFQC-NWDGAFQWSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C)cc2)[C@H]1CC ZINC001087807856 801768359 /nfs/dbraw/zinc/76/83/59/801768359.db2.gz IPTAAVSNECTLFB-DLBZAZTESA-N 1 1 286.419 3.154 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)C2CCCC2)[C@H]1CC ZINC001087791737 801769255 /nfs/dbraw/zinc/76/92/55/801769255.db2.gz WHWINHQDSQDVRM-HYVNUMGLSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(F)s2)[C@H]1CC ZINC001087846681 801770335 /nfs/dbraw/zinc/77/03/35/801770335.db2.gz QGFWCSYCMPZADB-NWDGAFQWSA-N 1 1 296.411 3.046 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C2CCCCC2)[C@H]1C ZINC001088908316 801813991 /nfs/dbraw/zinc/81/39/91/801813991.db2.gz SGDVFQDIRLJRAI-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C2CCCCC2)CC(C)(C)C1 ZINC001089303422 801832173 /nfs/dbraw/zinc/83/21/73/801832173.db2.gz OMZPUYFWDRQLDK-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC=CCC2)CC(C)(C)C1 ZINC001089313966 801833704 /nfs/dbraw/zinc/83/37/04/801833704.db2.gz ZISWIJCZDYBKLB-HZPDHXFCSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C2=CCCC2)CC(C)(C)C1 ZINC001089361153 801835193 /nfs/dbraw/zinc/83/51/93/801835193.db2.gz SUZZFEWVUYNVOK-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](CC)CC(C)(C)C2)CC1 ZINC001089484476 801841328 /nfs/dbraw/zinc/84/13/28/801841328.db2.gz XMMQGLGRIIWDCJ-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CCC1 ZINC001089601454 801847328 /nfs/dbraw/zinc/84/73/28/801847328.db2.gz XROTVWNRQUQBEI-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001089685031 801849088 /nfs/dbraw/zinc/84/90/88/801849088.db2.gz YTZZGZQFXVBJHW-JYJNAYRXSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CCCCC1)C2 ZINC001095144990 801880876 /nfs/dbraw/zinc/88/08/76/801880876.db2.gz HWBOERJSJYBRCW-IKGGRYGDSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC=CCC1)C2 ZINC001095876439 801885181 /nfs/dbraw/zinc/88/51/81/801885181.db2.gz OJAGESIOIJPZJT-YVSFHVDLSA-N 1 1 288.435 3.030 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(C)C)CC1 ZINC001095969448 801886856 /nfs/dbraw/zinc/88/68/56/801886856.db2.gz UTPUDQZFVQXTPP-IKGGRYGDSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CC)C2 ZINC001095938279 801888087 /nfs/dbraw/zinc/88/80/87/801888087.db2.gz PVGGXVJIAIAAPH-NJAFHUGGSA-N 1 1 298.430 3.160 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(C)c1)C2 ZINC001096756505 801894393 /nfs/dbraw/zinc/89/43/93/801894393.db2.gz LLFJMAIHWKUHEL-KURKYZTESA-N 1 1 298.430 3.296 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC(C)(C)C1)C2 ZINC001097807184 801905988 /nfs/dbraw/zinc/90/59/88/801905988.db2.gz ILDVACJXMFOUFI-JJXSEGSLSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)c1ccccc1C)C2 ZINC001098451267 801910028 /nfs/dbraw/zinc/91/00/28/801910028.db2.gz BKSWUGNZHALELC-IDCNUPLLSA-N 1 1 298.430 3.006 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)/C(C)=C\CC ZINC001098944010 801922527 /nfs/dbraw/zinc/92/25/27/801922527.db2.gz HEPHMQJZQJXQSX-OWTLUSIOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)/C(C)=C\C ZINC001099001560 801923859 /nfs/dbraw/zinc/92/38/59/801923859.db2.gz VBWJXDVVJAVTCG-GSHXUFRSSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC ZINC001099092616 801928337 /nfs/dbraw/zinc/92/83/37/801928337.db2.gz HJWAHRPYELFWNH-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCF ZINC001099194207 801934445 /nfs/dbraw/zinc/93/44/45/801934445.db2.gz LXJXAJIKOFDQQV-HUUCEWRRSA-N 1 1 298.446 3.165 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCF ZINC001099194207 801934447 /nfs/dbraw/zinc/93/44/47/801934447.db2.gz LXJXAJIKOFDQQV-HUUCEWRRSA-N 1 1 298.446 3.165 20 30 CGEDMO CCC1CCN(c2[nH+]ccc3[nH]cc(C#N)c32)CC1 ZINC001164451499 806947937 /nfs/dbraw/zinc/94/79/37/806947937.db2.gz OPDBMNCPCCKLOG-UHFFFAOYSA-N 1 1 254.337 3.061 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CN(C(=O)C=C(CC)CC)C[C@]2(C)C1 ZINC001101196632 801975370 /nfs/dbraw/zinc/97/53/70/801975370.db2.gz PWXQQBQZBUWZNU-AEFFLSMTSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C2CCCC2)[C@H](C)C1 ZINC001101657411 801984993 /nfs/dbraw/zinc/98/49/93/801984993.db2.gz VYWURXWOHWAKAG-BFYDXBDKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](CNC(=O)C=C2CCCCC2)[C@H](C)C1 ZINC001101776038 801989808 /nfs/dbraw/zinc/98/98/08/801989808.db2.gz KOWKYHVDRVQVBI-NVXWUHKLSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](CNC(=O)/C=C(/C)CC)[C@H](C)C1 ZINC001101943294 801996270 /nfs/dbraw/zinc/99/62/70/801996270.db2.gz PCMPVKZCFWABKY-TWGHKHKGSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](CNC(=O)CCC[C@@H](C)CCC)[C@H](C)C1 ZINC001102001566 801998000 /nfs/dbraw/zinc/99/80/00/801998000.db2.gz QIOZUEBFNYKOGN-GVDBMIGSSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@@H]1C[N@@H+](CCC(=C)C)C[C@H]1C ZINC001102262488 802003085 /nfs/dbraw/zinc/00/30/85/802003085.db2.gz BEXCEKXISDRKKL-IXDOHACOSA-N 1 1 292.467 3.239 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C ZINC001102327237 802004926 /nfs/dbraw/zinc/00/49/26/802004926.db2.gz HNVKBOCXKWGFNQ-NUJGCVRESA-N 1 1 294.483 3.319 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)C2(CCC)CC2)[C@H](C)C1 ZINC001102341246 802007116 /nfs/dbraw/zinc/00/71/16/802007116.db2.gz XPVCUCJUJJHLGT-TZMCWYRMSA-N 1 1 298.858 3.003 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC)C1 ZINC001102625415 802013366 /nfs/dbraw/zinc/01/33/66/802013366.db2.gz MHMDIERAPSOBND-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC(C)C)C1 ZINC001102642947 802016378 /nfs/dbraw/zinc/01/63/78/802016378.db2.gz YWIPUSKOMQAGIC-BRWVUGGUSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](F)C(C)C)C1 ZINC001103337240 802031756 /nfs/dbraw/zinc/03/17/56/802031756.db2.gz LBNHTGQYOFJKAC-BZUAXINKSA-N 1 1 298.446 3.021 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NCC[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC001103346582 802031818 /nfs/dbraw/zinc/03/18/18/802031818.db2.gz NIGONGUBYZOYQI-ARFHVFGLSA-N 1 1 280.456 3.071 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@H](C)CC)C1 ZINC001103559875 802034899 /nfs/dbraw/zinc/03/48/99/802034899.db2.gz OQRWZGRWVZEFNX-BRWVUGGUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001103453260 802035102 /nfs/dbraw/zinc/03/51/02/802035102.db2.gz PPJJTQVZTSHBNA-QBPKDAKJSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)CC(C)(C)C)C1 ZINC001103498701 802035961 /nfs/dbraw/zinc/03/59/61/802035961.db2.gz DTWYMTVZOZHCEK-ARFHVFGLSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)CC(C)C)C1 ZINC001103621756 802037815 /nfs/dbraw/zinc/03/78/15/802037815.db2.gz BYWSWIKWGAGPPG-IXDOHACOSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)CC3CCCC3)CCC[C@@H]12 ZINC001107264335 802084460 /nfs/dbraw/zinc/08/44/60/802084460.db2.gz CAGFPZLVQXRKRA-SJLPKXTDSA-N 1 1 290.451 3.114 20 30 CGEDMO CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC)C2 ZINC001108866472 802101163 /nfs/dbraw/zinc/10/11/63/802101163.db2.gz YPNPHCLWEHPTHF-PMPSAXMXSA-N 1 1 280.456 3.478 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C(C)=C\C)C2 ZINC001109133107 802109537 /nfs/dbraw/zinc/10/95/37/802109537.db2.gz YNBVRGHZEKTKDD-RITUNRGESA-N 1 1 276.424 3.029 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C(C)=C/C)C2 ZINC001109133109 802109612 /nfs/dbraw/zinc/10/96/12/802109612.db2.gz YNBVRGHZEKTKDD-YYTNDJERSA-N 1 1 276.424 3.029 20 30 CGEDMO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C(C)=C\C)C2 ZINC001109133677 802109867 /nfs/dbraw/zinc/10/98/67/802109867.db2.gz KVZXLKUNERHUSJ-GAVMZRSJSA-N 1 1 290.451 3.421 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C(CC)CC)C2 ZINC001109471576 802117424 /nfs/dbraw/zinc/11/74/24/802117424.db2.gz ATIBXKYFPUPLHD-SIXLDLHFSA-N 1 1 292.467 3.356 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CCC)C(C)C)C2 ZINC001109779937 802125886 /nfs/dbraw/zinc/12/58/86/802125886.db2.gz BUPOEGHFWQGVAE-QZWWFDLISA-N 1 1 292.467 3.356 20 30 CGEDMO C=C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C(C)C)c1ccccc1 ZINC001110136895 802131933 /nfs/dbraw/zinc/13/19/33/802131933.db2.gz SRYTVTUGLJQAIH-OWSLCNJRSA-N 1 1 298.430 3.086 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1)C2 ZINC001110239374 802134793 /nfs/dbraw/zinc/13/47/93/802134793.db2.gz YJQZUNJKWUVQND-HPBDAGMYSA-N 1 1 298.430 3.376 20 30 CGEDMO C=CC[C@@](C)([NH2+][C@H](C)CCC=C(C)C)C(=O)OC ZINC001258085762 807298933 /nfs/dbraw/zinc/29/89/33/807298933.db2.gz MNRXNWBWUWNYLS-UKRRQHHQSA-N 1 1 253.386 3.219 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC ZINC001110601005 802146490 /nfs/dbraw/zinc/14/64/90/802146490.db2.gz FUGRCZQAYBWOOK-MCIONIFRSA-N 1 1 298.858 3.287 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)C ZINC001110606074 802147013 /nfs/dbraw/zinc/14/70/13/802147013.db2.gz VKAREOHSANLLIE-OAGGEKHMSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@](C)(F)CCCC)C2 ZINC001110742650 802147031 /nfs/dbraw/zinc/14/70/31/802147031.db2.gz NVMKXVIUYCJZOV-PNBKFKSVSA-N 1 1 296.430 3.202 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCCF ZINC001110967073 802152733 /nfs/dbraw/zinc/15/27/33/802152733.db2.gz QZYOLYVKJGRADU-OAGGEKHMSA-N 1 1 296.430 3.204 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(=C)C ZINC001110964760 802153088 /nfs/dbraw/zinc/15/30/88/802153088.db2.gz ZTYONOUWTWETET-OAGGEKHMSA-N 1 1 276.424 3.030 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(=C)C ZINC001110989684 802153117 /nfs/dbraw/zinc/15/31/17/802153117.db2.gz SAVCHUKQJNOXDN-CBZIJGRNSA-N 1 1 290.451 3.276 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C/Cl ZINC001111072893 802155179 /nfs/dbraw/zinc/15/51/79/802155179.db2.gz YLGBKYZAPPNAHU-QGBZXDMCSA-N 1 1 296.842 3.063 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C/C=C/Cl ZINC001111072893 802155189 /nfs/dbraw/zinc/15/51/89/802155189.db2.gz YLGBKYZAPPNAHU-QGBZXDMCSA-N 1 1 296.842 3.063 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)C(C)(C)C)C2 ZINC001111323406 802158918 /nfs/dbraw/zinc/15/89/18/802158918.db2.gz ZXTJIDIDMQMEDT-FPCVCCKLSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(CC=C)CCCC1)C2 ZINC001111518139 802160520 /nfs/dbraw/zinc/16/05/20/802160520.db2.gz SWPAFQHSBMUZOY-OAGGEKHMSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)/C(C)=C\C)C1 ZINC001111694731 802167191 /nfs/dbraw/zinc/16/71/91/802167191.db2.gz IAVGXSUJHAFDAJ-UCQNKLFWSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](C/C=C/Cl)C2 ZINC001111766151 802168450 /nfs/dbraw/zinc/16/84/50/802168450.db2.gz WZPCNOQFWXILGR-LDJVYOFTSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CCCC)C2 ZINC001111848744 802170545 /nfs/dbraw/zinc/17/05/45/802170545.db2.gz RPLDTBNNRTYYLP-BQFCYCMXSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)CCC)C1 ZINC001111917031 802172316 /nfs/dbraw/zinc/17/23/16/802172316.db2.gz JQACRTCFCAXXSB-BQFCYCMXSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](CC)C(C)C)C1 ZINC001111943544 802173018 /nfs/dbraw/zinc/17/30/18/802173018.db2.gz VBAFZCJZDYPXHM-RYRKJORJSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[NH+]1CCN(C(=O)[C@](C)(F)CCCC)CC1 ZINC001113042939 802200169 /nfs/dbraw/zinc/20/01/69/802200169.db2.gz YKBHLFJIYAANJI-MRXNPFEDSA-N 1 1 284.419 3.015 20 30 CGEDMO C[C@H](Cc1ccncc1)[N@@H+](CCC#N)C1CCCC1 ZINC001256743756 806968047 /nfs/dbraw/zinc/96/80/47/806968047.db2.gz SQJFLVLXSXIKJE-CQSZACIVSA-N 1 1 257.381 3.171 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)CCC ZINC001114079577 802237507 /nfs/dbraw/zinc/23/75/07/802237507.db2.gz KPQGFABPXNIFGZ-NCOADZHNSA-N 1 1 294.483 3.439 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](CCCC(C)C)C[C@H]21 ZINC001114680246 802242452 /nfs/dbraw/zinc/24/24/52/802242452.db2.gz GAMWYWYLKBJTNP-ZSHCYNCHSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3ccccc3)C[C@H]21 ZINC001114760284 802244474 /nfs/dbraw/zinc/24/44/74/802244474.db2.gz XWEUVSMSBBWSCI-ITQYTPKQSA-N 1 1 298.430 3.150 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CCCCC)C(C)C ZINC001115095976 802251583 /nfs/dbraw/zinc/25/15/83/802251583.db2.gz NEFHKXSWMYLZFV-NCOADZHNSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)C(C)(C)C ZINC001115173957 802254485 /nfs/dbraw/zinc/25/44/85/802254485.db2.gz HHCKLAGWPCRMMG-LJIGWXMPSA-N 1 1 292.467 3.071 20 30 CGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC(C)(C)C1(C)C ZINC001116339074 802332909 /nfs/dbraw/zinc/33/29/09/802332909.db2.gz RRRWATZTNSPRNE-LBPRGKRZSA-N 1 1 285.391 3.006 20 30 CGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC(C)(C)C1(C)C ZINC001116339074 802332913 /nfs/dbraw/zinc/33/29/13/802332913.db2.gz RRRWATZTNSPRNE-LBPRGKRZSA-N 1 1 285.391 3.006 20 30 CGEDMO C=CCn1cnn(C[N@@H+]2C[C@H](C)[C@@H]3CCCC[C@H]32)c1=S ZINC001116533168 802373239 /nfs/dbraw/zinc/37/32/39/802373239.db2.gz JXNCUJWDVTYVJU-MELADBBJSA-N 1 1 292.452 3.068 20 30 CGEDMO CC(C)COCC[C@@H](C)[N@H+]1CCC[C@H](C#N)CC1 ZINC001172475312 808339553 /nfs/dbraw/zinc/33/95/53/808339553.db2.gz HXBASBNQQRMQAD-CABCVRRESA-N 1 1 252.402 3.063 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1cccc2c[nH]nc21 ZINC001117636305 802473004 /nfs/dbraw/zinc/47/30/04/802473004.db2.gz GEJLJPRSPQWIPE-UHFFFAOYSA-N 1 1 275.355 3.198 20 30 CGEDMO CC[N@@H+](CC1CCC(O)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC001117738385 802483528 /nfs/dbraw/zinc/48/35/28/802483528.db2.gz HFOPRQLKHVNCDA-NXVRBGIVSA-N 1 1 286.419 3.492 20 30 CGEDMO C[N@@H+](Cc1cccn1C1CC1)Cc1cccc(C#N)c1 ZINC001117784412 802494045 /nfs/dbraw/zinc/49/40/45/802494045.db2.gz QADIPKOMKOTSDC-UHFFFAOYSA-N 1 1 265.360 3.327 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC001119308516 802647019 /nfs/dbraw/zinc/64/70/19/802647019.db2.gz OXOGDRDZQPIBMO-ZIAGYGMSSA-N 1 1 262.401 3.003 20 30 CGEDMO C#CC[N@H+](Cc1ccn(-c2ccccc2F)n1)C(C)(C)C ZINC001176288034 809661954 /nfs/dbraw/zinc/66/19/54/809661954.db2.gz KWUQVJONXIKDMN-UHFFFAOYSA-N 1 1 285.366 3.245 20 30 CGEDMO C#CC[N@@H+](Cc1ccn(-c2ccccc2F)n1)C(C)(C)C ZINC001176288034 809661956 /nfs/dbraw/zinc/66/19/56/809661956.db2.gz KWUQVJONXIKDMN-UHFFFAOYSA-N 1 1 285.366 3.245 20 30 CGEDMO COC[C@H]([NH2+]Cc1c(C)cc(C#N)cc1C)c1ccco1 ZINC001119728099 802695979 /nfs/dbraw/zinc/69/59/79/802695979.db2.gz AABZBMWSXIOFIZ-INIZCTEOSA-N 1 1 284.359 3.245 20 30 CGEDMO C=CC[C@H]([NH2+][C@@H]1CCCC(C)(C)CC1)C(=O)OCC ZINC001181454824 810053681 /nfs/dbraw/zinc/05/36/81/810053681.db2.gz GTTKCMLFGPMCIE-KGLIPLIRSA-N 1 1 267.413 3.443 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CC)C1 ZINC001120391709 802743781 /nfs/dbraw/zinc/74/37/81/802743781.db2.gz GELJAIFAQNVTFE-HOTGVXAUSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CCF)C1 ZINC001120423443 802744875 /nfs/dbraw/zinc/74/48/75/802744875.db2.gz UOAFJZZQIZRENE-JKSUJKDBSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCCCC[C@@H](C)[NH2+]Cc1nc(C(F)(F)F)n[nH]1 ZINC001184454032 810201004 /nfs/dbraw/zinc/20/10/04/810201004.db2.gz ZRDKMYDEKXHOOU-SECBINFHSA-N 1 1 276.306 3.048 20 30 CGEDMO N#Cc1ccccc1CN[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256899251 807002699 /nfs/dbraw/zinc/00/26/99/807002699.db2.gz DICKVRSEHLZXKZ-KRWDZBQOSA-N 1 1 283.419 3.055 20 30 CGEDMO C[N@H+]1CC[C@H](c2ccc(-c3ccc(C#N)cc3N)cc2)C1 ZINC001244092954 803180749 /nfs/dbraw/zinc/18/07/49/803180749.db2.gz DRAVRHGHQOIPCE-INIZCTEOSA-N 1 1 277.371 3.227 20 30 CGEDMO CN(C)c1ccc(C#N)cc1C[N@@H+](C)C[C@@H]1CC1(C)C ZINC001206808248 813443767 /nfs/dbraw/zinc/44/37/67/813443767.db2.gz FAYWCSDLJFINKK-HNNXBMFYSA-N 1 1 271.408 3.102 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)CCSCC)CC[C@@H]1C ZINC001131849362 803351925 /nfs/dbraw/zinc/35/19/25/803351925.db2.gz RLWLYBBRGMIYAL-GJZGRUSLSA-N 1 1 298.496 3.065 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)/C=C\C(C)(C)C)CC[C@@H]1C ZINC001131912084 803357285 /nfs/dbraw/zinc/35/72/85/803357285.db2.gz RQSRCHZDLKOZFF-VUFKQPGHSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)CCC2CCC2)CC[C@@H]1C ZINC001131942188 803359990 /nfs/dbraw/zinc/35/99/90/803359990.db2.gz ALVOPPXCVZGUCM-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C(F)=C(C)C)CC[C@@H]1C ZINC001131967580 803363135 /nfs/dbraw/zinc/36/31/35/803363135.db2.gz GHBYHVKAHBVKII-KBPBESRZSA-N 1 1 282.403 3.185 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C=C(CC)CC)CC[C@H]1C ZINC001131989165 803364358 /nfs/dbraw/zinc/36/43/58/803364358.db2.gz UPUBAONNEDWLPH-ZBFHGGJFSA-N 1 1 278.440 3.278 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCCC(C)C)C1 ZINC001132003279 803365506 /nfs/dbraw/zinc/36/55/06/803365506.db2.gz SEYSMUWQGAYVPM-DLBZAZTESA-N 1 1 292.467 3.195 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC/C=C/CC)C1 ZINC001132003367 803365942 /nfs/dbraw/zinc/36/59/42/803365942.db2.gz UJKSGDVRFSUONN-AAAWEMBMSA-N 1 1 290.451 3.115 20 30 CGEDMO CCCCC[N@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@@H]1C ZINC001132039533 803368684 /nfs/dbraw/zinc/36/86/84/803368684.db2.gz ZFTYUTCRLMASGC-HOTGVXAUSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C(CC=C)CC=C)CC[C@H]1C ZINC001132056674 803369418 /nfs/dbraw/zinc/36/94/18/803369418.db2.gz BGRFTYALBGJYLK-NVXWUHKLSA-N 1 1 290.451 3.300 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](CC=C(C)C)C1 ZINC001132227273 803381654 /nfs/dbraw/zinc/38/16/54/803381654.db2.gz BFVCFUXMNSTJOQ-GJZGRUSLSA-N 1 1 278.440 3.134 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)CCCC#CC)CC[C@@H]1C ZINC001132235522 803383044 /nfs/dbraw/zinc/38/30/44/803383044.db2.gz ORYOCLVPTKLHFP-IRXDYDNUSA-N 1 1 290.451 3.115 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CC2CCCC2)C1 ZINC001132228144 803383967 /nfs/dbraw/zinc/38/39/67/803383967.db2.gz MVUACAHKHNDYGM-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)CCCC#CC)CC[C@H]1C ZINC001132235521 803384399 /nfs/dbraw/zinc/38/43/99/803384399.db2.gz ORYOCLVPTKLHFP-IAGOWNOFSA-N 1 1 290.451 3.115 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](NC(=O)C2(CCC)CC2)CC[C@@H]1C ZINC001132274063 803390200 /nfs/dbraw/zinc/39/02/00/803390200.db2.gz NZFKJFWLZPVJIP-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)CCC2(C)CC2)CC[C@@H]1C ZINC001132413713 803402479 /nfs/dbraw/zinc/40/24/79/803402479.db2.gz GDIXTTQWNLLROW-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2c[nH]c3c2cccc3F)CC1 ZINC001137057681 803676920 /nfs/dbraw/zinc/67/69/20/803676920.db2.gz LZLKDTPRQNGVHI-LBPRGKRZSA-N 1 1 271.339 3.433 20 30 CGEDMO COc1ccc(C[N@H+](C)Cc2ccccc2)c(C#N)c1 ZINC001137697979 803758592 /nfs/dbraw/zinc/75/85/92/803758592.db2.gz DZAKLXUCAAPRKN-UHFFFAOYSA-N 1 1 266.344 3.199 20 30 CGEDMO COc1ccc(C[N@@H+](C)Cc2ccccc2)c(C#N)c1 ZINC001137697979 803758593 /nfs/dbraw/zinc/75/85/93/803758593.db2.gz DZAKLXUCAAPRKN-UHFFFAOYSA-N 1 1 266.344 3.199 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccc(OC)cc1C#N ZINC001137706333 803762715 /nfs/dbraw/zinc/76/27/15/803762715.db2.gz XSLOGFSNDBLHRZ-UHFFFAOYSA-N 1 1 258.365 3.355 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@H]2C(C)C)c(C#N)c1 ZINC001137706196 803762766 /nfs/dbraw/zinc/76/27/66/803762766.db2.gz REAUCWDKCDFDQG-INIZCTEOSA-N 1 1 258.365 3.187 20 30 CGEDMO C#CC[NH+](CC#C)Cc1ccc(SC(F)(F)F)cc1 ZINC001137956524 803806235 /nfs/dbraw/zinc/80/62/35/803806235.db2.gz TVQLCQKODWTSHX-UHFFFAOYSA-N 1 1 283.318 3.367 20 30 CGEDMO Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](C#N)CC2)c1F ZINC001138119679 803860372 /nfs/dbraw/zinc/86/03/72/803860372.db2.gz OPMYBTKKGRGEHW-GFCCVEGCSA-N 1 1 264.319 3.399 20 30 CGEDMO Cc1ccc(F)c(C[N@H+]2CCC[C@@H](C#N)CC2)c1F ZINC001138119679 803860383 /nfs/dbraw/zinc/86/03/83/803860383.db2.gz OPMYBTKKGRGEHW-GFCCVEGCSA-N 1 1 264.319 3.399 20 30 CGEDMO C[C@@]1(O)CC[N@@H+](Cc2ccc(C#Cc3ccccc3)cc2)C1 ZINC001138335008 803897759 /nfs/dbraw/zinc/89/77/59/803897759.db2.gz BWHMOQBSROXATC-HXUWFJFHSA-N 1 1 291.394 3.043 20 30 CGEDMO C#CCOc1ccc(C[N@@H+](C)C2CCCC2)cc1OC ZINC001138345332 803898818 /nfs/dbraw/zinc/89/88/18/803898818.db2.gz CPSXRXQZMOUWCM-UHFFFAOYSA-N 1 1 273.376 3.082 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)cc1 ZINC001138557369 803966635 /nfs/dbraw/zinc/96/66/35/803966635.db2.gz IMVFLWDJOUMVFH-ZDUSSCGKSA-N 1 1 283.293 3.083 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@H](C(F)F)C2)cc1 ZINC001138557264 803966729 /nfs/dbraw/zinc/96/67/29/803966729.db2.gz DPKVMQGLUPHXFU-AWEZNQCLSA-N 1 1 279.330 3.176 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CC[C@@]3(C2)CCCCO3)c1O ZINC001138625594 803983616 /nfs/dbraw/zinc/98/36/16/803983616.db2.gz PTAFCXJYYDAUBE-GOSISDBHSA-N 1 1 287.403 3.266 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)c1O ZINC001138625257 803983932 /nfs/dbraw/zinc/98/39/32/803983932.db2.gz IWYIWHPCLQBMEH-IAGOWNOFSA-N 1 1 299.414 3.454 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2CC[C@@H](OC(C)C)C2)c1O ZINC001138629573 803986206 /nfs/dbraw/zinc/98/62/06/803986206.db2.gz DQGRNRIPCYKBHV-MRXNPFEDSA-N 1 1 275.392 3.120 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1CC[C@@H](C)[C@](C)(O)C1 ZINC001138661532 803994189 /nfs/dbraw/zinc/99/41/89/803994189.db2.gz BKEOJSIUGFHYCX-CRAIPNDOSA-N 1 1 289.419 3.234 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001138663560 803997054 /nfs/dbraw/zinc/99/70/54/803997054.db2.gz YAZHMHMDHGFRQQ-GASCZTMLSA-N 1 1 275.392 3.251 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001138663560 803997058 /nfs/dbraw/zinc/99/70/58/803997058.db2.gz YAZHMHMDHGFRQQ-GASCZTMLSA-N 1 1 275.392 3.251 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001138664931 803997263 /nfs/dbraw/zinc/99/72/63/803997263.db2.gz AUYGBQOTDFTARS-WMZOPIPTSA-N 1 1 287.403 3.252 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(-c2ccc(C(=O)OCC)cc2)o1 ZINC001138924286 804073328 /nfs/dbraw/zinc/07/33/28/804073328.db2.gz UUXVGQAKDZYRAP-UHFFFAOYSA-N 1 1 297.354 3.188 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCNC2=CCCC[C@H]21 ZINC001246064368 804107075 /nfs/dbraw/zinc/10/70/75/804107075.db2.gz LPVPOJZFRDPKMV-SJLPKXTDSA-N 1 1 292.467 3.216 20 30 CGEDMO C=CCCCCCC[C@@H](O)CN1CC[NH2+]C2=CCCC[C@H]21 ZINC001246064368 804107077 /nfs/dbraw/zinc/10/70/77/804107077.db2.gz LPVPOJZFRDPKMV-SJLPKXTDSA-N 1 1 292.467 3.216 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001139026793 804111655 /nfs/dbraw/zinc/11/16/55/804111655.db2.gz AROGZUVBXUPPDN-WMZOPIPTSA-N 1 1 287.403 3.252 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001139029015 804112098 /nfs/dbraw/zinc/11/20/98/804112098.db2.gz NGUZUXWIEHEVAS-YJBOKZPZSA-N 1 1 287.403 3.252 20 30 CGEDMO CCCCCCC[C@@H](CCC)[NH2+]C1(CO)CCNCC1 ZINC001246117504 804150133 /nfs/dbraw/zinc/15/01/33/804150133.db2.gz JCZILDIQCVOPIE-MRXNPFEDSA-N 1 1 284.488 3.220 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)c1 ZINC001139645909 804240955 /nfs/dbraw/zinc/24/09/55/804240955.db2.gz DWKRKPKHLWWRDR-BETUJISGSA-N 1 1 280.293 3.174 20 30 CGEDMO N#Cc1cccc2c(C[N@H+]3CC[C@H]4CCCO[C@@H]4C3)c[nH]c21 ZINC001139704471 804259735 /nfs/dbraw/zinc/25/97/35/804259735.db2.gz VVIYQKDFEMOOMF-CXAGYDPISA-N 1 1 295.386 3.040 20 30 CGEDMO Cc1ccc(C[N@@H+](C)Cc2cccc(O)c2)cc1C#N ZINC001139722829 804266837 /nfs/dbraw/zinc/26/68/37/804266837.db2.gz IFIMRDMFVRFXKB-UHFFFAOYSA-N 1 1 266.344 3.204 20 30 CGEDMO CCCC[C@@H]1C[C@@H](N[C@@H]2CCc3c2cccc3C#N)CC[NH2+]1 ZINC001246309625 804272345 /nfs/dbraw/zinc/27/23/45/804272345.db2.gz VTNHKTVRIDXKSA-JTDSTZFVSA-N 1 1 297.446 3.446 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cccc(OC3CC3)c2)no1 ZINC001212325431 815005485 /nfs/dbraw/zinc/00/54/85/815005485.db2.gz RCINKMFLFMDABA-HNNXBMFYSA-N 1 1 297.358 3.081 20 30 CGEDMO N#Cc1cc(F)cc(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)c1 ZINC001139875017 804305208 /nfs/dbraw/zinc/30/52/08/804305208.db2.gz RKZGJXQXLCTPNA-GOSISDBHSA-N 1 1 296.345 3.351 20 30 CGEDMO N#Cc1cc(F)cc(C[N@@H+]2CCC[C@@H]2c2ccncc2)c1 ZINC001139875212 804306866 /nfs/dbraw/zinc/30/68/66/804306866.db2.gz VSEVQWVRRPFDTD-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1cc(F)cc(C[N@H+]2CCC[C@@H]2c2ccncc2)c1 ZINC001139875212 804306876 /nfs/dbraw/zinc/30/68/76/804306876.db2.gz VSEVQWVRRPFDTD-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO CC[C@H](CC#N)N[C@@H](c1cccc(F)c1)C1CC[NH2+]CC1 ZINC001246402075 804321709 /nfs/dbraw/zinc/32/17/09/804321709.db2.gz WHWQLEXSJGIJRS-IAGOWNOFSA-N 1 1 289.398 3.148 20 30 CGEDMO C#CC1(N[C@@H]2CC[NH2+][C@@H](C(C)(C)C)C2)CCCCC1 ZINC001246460958 804342200 /nfs/dbraw/zinc/34/22/00/804342200.db2.gz AWRLQHPUVWQYJT-HUUCEWRRSA-N 1 1 262.441 3.079 20 30 CGEDMO C#CC1(N[C@@H]2CC[NH2+][C@@H](CCCC)C2)CCCCC1 ZINC001246464783 804344862 /nfs/dbraw/zinc/34/48/62/804344862.db2.gz SUESDDNHLSYALX-JKSUJKDBSA-N 1 1 262.441 3.223 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1[nH]nc2ccc(OC)cc21 ZINC001140070773 804371196 /nfs/dbraw/zinc/37/11/96/804371196.db2.gz MFJMBKSNHDRWPT-UHFFFAOYSA-N 1 1 273.380 3.360 20 30 CGEDMO C=CCCCC[N@@H+](C)Cc1n[nH]c2ccc(OC)cc21 ZINC001140070773 804371201 /nfs/dbraw/zinc/37/12/01/804371201.db2.gz MFJMBKSNHDRWPT-UHFFFAOYSA-N 1 1 273.380 3.360 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1n[nH]c2ccc(OC)cc21 ZINC001140070773 804371212 /nfs/dbraw/zinc/37/12/12/804371212.db2.gz MFJMBKSNHDRWPT-UHFFFAOYSA-N 1 1 273.380 3.360 20 30 CGEDMO Cc1ccc(C)c(C[N@H+]2CCC[C@H](CC#N)C2)c1O ZINC001140182099 804397325 /nfs/dbraw/zinc/39/73/25/804397325.db2.gz IVINDBPYANNLIP-CQSZACIVSA-N 1 1 258.365 3.135 20 30 CGEDMO COC[C@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1Cl ZINC001140600106 804471066 /nfs/dbraw/zinc/47/10/66/804471066.db2.gz BUEBEXMWDAQFGH-CQSZACIVSA-N 1 1 278.783 3.213 20 30 CGEDMO N#Cc1ccc(Cl)c(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC001140600010 804471190 /nfs/dbraw/zinc/47/11/90/804471190.db2.gz ZPHUUWLAVYANLV-CJNGLKHVSA-N 1 1 290.794 3.213 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2ccc(OC(F)F)c(O)c2)C1 ZINC001140628869 804478498 /nfs/dbraw/zinc/47/84/98/804478498.db2.gz GCLNRSXKPLDTJZ-LLVKDONJSA-N 1 1 296.317 3.119 20 30 CGEDMO CC[C@H]1CCC[N@H+]1Cc1cc(F)c(C#N)c(F)c1 ZINC001140753395 804506769 /nfs/dbraw/zinc/50/67/69/804506769.db2.gz GLZHQIZYXYBBLO-NSHDSACASA-N 1 1 250.292 3.211 20 30 CGEDMO CC(C)[N@H+]1CCN(Cc2cccc(C#N)c2Cl)C[C@@H]1C ZINC001140814336 804526705 /nfs/dbraw/zinc/52/67/05/804526705.db2.gz HZDQXHGGYAIHKN-ZDUSSCGKSA-N 1 1 291.826 3.126 20 30 CGEDMO CSCC[N@H+](C)Cc1cccc(C#N)c1Cl ZINC001140814184 804527119 /nfs/dbraw/zinc/52/71/19/804527119.db2.gz DPRDPVJAPHZZLF-UHFFFAOYSA-N 1 1 254.786 3.006 20 30 CGEDMO CSCC[N@@H+](C)Cc1cccc(C#N)c1Cl ZINC001140814184 804527121 /nfs/dbraw/zinc/52/71/21/804527121.db2.gz DPRDPVJAPHZZLF-UHFFFAOYSA-N 1 1 254.786 3.006 20 30 CGEDMO COc1ccc(C[N@@H+]2CCC[C@H](C#N)CC2)c(Cl)c1 ZINC001140822510 804529026 /nfs/dbraw/zinc/52/90/26/804529026.db2.gz VFBRFHZOMAPECE-LBPRGKRZSA-N 1 1 278.783 3.474 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@H](C#N)CC2)c(Cl)c1 ZINC001140822510 804529028 /nfs/dbraw/zinc/52/90/28/804529028.db2.gz VFBRFHZOMAPECE-LBPRGKRZSA-N 1 1 278.783 3.474 20 30 CGEDMO CN(Cc1cccc(C#N)c1)[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256922006 807013962 /nfs/dbraw/zinc/01/39/62/807013962.db2.gz AAFKBMBOWHUFMQ-LJQANCHMSA-N 1 1 297.446 3.397 20 30 CGEDMO N#CC1CCC([N@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)CC1 ZINC001256968324 807018502 /nfs/dbraw/zinc/01/85/02/807018502.db2.gz CZNDFIOWBAUFSA-PUJMQQBBSA-N 1 1 288.366 3.361 20 30 CGEDMO N#CC1CCC([N@@H+]2CCC[C@@H](F)C(F)(F)C2)CC1 ZINC001256964772 807019516 /nfs/dbraw/zinc/01/95/16/807019516.db2.gz CUSKZPYJCZCAEU-HTAVTVPLSA-N 1 1 260.303 3.138 20 30 CGEDMO N#CC1CCC([N@H+]2CCC[C@@H](F)C(F)(F)C2)CC1 ZINC001256964772 807019524 /nfs/dbraw/zinc/01/95/24/807019524.db2.gz CUSKZPYJCZCAEU-HTAVTVPLSA-N 1 1 260.303 3.138 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCNC[C@@H]1c1cccs1 ZINC001246882581 804578109 /nfs/dbraw/zinc/57/81/09/804578109.db2.gz AKAKIHADGCEUEL-CHWSQXEVSA-N 1 1 250.411 3.049 20 30 CGEDMO C=CCC[C@@H](C)N1CC[NH2+]C[C@@H]1c1cccs1 ZINC001246882581 804578115 /nfs/dbraw/zinc/57/81/15/804578115.db2.gz AKAKIHADGCEUEL-CHWSQXEVSA-N 1 1 250.411 3.049 20 30 CGEDMO N#Cc1c(N)sc(C[N@H+]2CC3CCC2CC3)c1Cl ZINC001141114586 804591600 /nfs/dbraw/zinc/59/16/00/804591600.db2.gz SQKDWSDVJGSEFG-UHFFFAOYSA-N 1 1 281.812 3.230 20 30 CGEDMO CC(C)[N@H+](Cc1ccc(F)cc1C#N)C1CCN(C)CC1 ZINC001141167485 804602991 /nfs/dbraw/zinc/60/29/91/804602991.db2.gz LVSMYTMCRAIWJT-UHFFFAOYSA-N 1 1 289.398 3.002 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc(F)cc1C#N)C1CCN(C)CC1 ZINC001141167485 804602995 /nfs/dbraw/zinc/60/29/95/804602995.db2.gz LVSMYTMCRAIWJT-UHFFFAOYSA-N 1 1 289.398 3.002 20 30 CGEDMO CC(C)C[N@H+]([C@H](C)Cc1cccc(C#N)c1)[C@@H]1CCCNC1 ZINC001246951130 804616694 /nfs/dbraw/zinc/61/66/94/804616694.db2.gz BETUEOZCXFMZLE-VQIMIIECSA-N 1 1 299.462 3.199 20 30 CGEDMO CC(C)C[N@@H+]([C@H](C)Cc1cccc(C#N)c1)[C@@H]1CCCNC1 ZINC001246951130 804616698 /nfs/dbraw/zinc/61/66/98/804616698.db2.gz BETUEOZCXFMZLE-VQIMIIECSA-N 1 1 299.462 3.199 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)nc2C)C1 ZINC001141433112 804641250 /nfs/dbraw/zinc/64/12/50/804641250.db2.gz ZKMPAZUKGHJYJU-GFCCVEGCSA-N 1 1 282.309 3.254 20 30 CGEDMO C#CC[C@@H]([NH3+])c1nc(-c2cc3ccoc3c(Cl)c2)no1 ZINC001247609962 804780279 /nfs/dbraw/zinc/78/02/79/804780279.db2.gz RJYYAWVDOFVGDW-LLVKDONJSA-N 1 1 287.706 3.159 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2ccc(OC)cc2C)no1 ZINC001247622069 804783151 /nfs/dbraw/zinc/78/31/51/804783151.db2.gz DYIMOYFVHUCHSX-ZDUSSCGKSA-N 1 1 273.336 3.020 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2ccc(OC3CC3)cc2)no1 ZINC001247622629 804783637 /nfs/dbraw/zinc/78/36/37/804783637.db2.gz PBIHOGLIAVKQNR-CQSZACIVSA-N 1 1 285.347 3.244 20 30 CGEDMO N#Cc1ccc2c(C[N@H+]3CC[C@H]4OCCC[C@@H]4C3)c[nH]c2c1 ZINC001142912007 804783788 /nfs/dbraw/zinc/78/37/88/804783788.db2.gz RGDQAZQWQPUSSV-RDTXWAMCSA-N 1 1 295.386 3.040 20 30 CGEDMO N#Cc1ccc2c(C[N@H+]3CC[C@]4(C3)CCCCO4)c[nH]c2c1 ZINC001142916291 804783856 /nfs/dbraw/zinc/78/38/56/804783856.db2.gz RKWSQKDFLQCPQF-SFHVURJKSA-N 1 1 295.386 3.185 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cc(F)c(C)cc2F)no1 ZINC001247623078 804784826 /nfs/dbraw/zinc/78/48/26/804784826.db2.gz WYSTUPIJXINIIW-GFCCVEGCSA-N 1 1 279.290 3.289 20 30 CGEDMO COc1cc(C)c(C[N@@H+]2CC[C@@](C)(C#N)C2)c(C)c1 ZINC001142950155 804789004 /nfs/dbraw/zinc/78/90/04/804789004.db2.gz RCUVQWAEPXATAX-INIZCTEOSA-N 1 1 258.365 3.048 20 30 CGEDMO COc1cc(C)c(C[N@H+]2CC[C@@](C)(C#N)C2)c(C)c1 ZINC001142950155 804789008 /nfs/dbraw/zinc/78/90/08/804789008.db2.gz RCUVQWAEPXATAX-INIZCTEOSA-N 1 1 258.365 3.048 20 30 CGEDMO CC(C)(C)c1cccc(C[N@H+]2CC[C@](C)(C#N)C2)c1O ZINC001143116694 804805524 /nfs/dbraw/zinc/80/55/24/804805524.db2.gz JZECAHGCYCGJDN-QGZVFWFLSA-N 1 1 272.392 3.425 20 30 CGEDMO C[C@H]1CCCC[N@@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143163760 804812422 /nfs/dbraw/zinc/81/24/22/804812422.db2.gz LUIFDPMLEKBTGL-JTQLQIEISA-N 1 1 250.292 3.211 20 30 CGEDMO C[C@H]1CCCC[N@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143163760 804812430 /nfs/dbraw/zinc/81/24/30/804812430.db2.gz LUIFDPMLEKBTGL-JTQLQIEISA-N 1 1 250.292 3.211 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@H]3CCC[C@@H]3C2)c1F ZINC001143167225 804814562 /nfs/dbraw/zinc/81/45/62/804814562.db2.gz RMNSJVKSSAXGJZ-DGCLKSJQSA-N 1 1 276.330 3.458 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)c1F ZINC001143167225 804814573 /nfs/dbraw/zinc/81/45/73/804814573.db2.gz RMNSJVKSSAXGJZ-DGCLKSJQSA-N 1 1 276.330 3.458 20 30 CGEDMO CC(C)(C)C[C@@H]([NH3+])c1nc(-c2cccc(C#N)c2)no1 ZINC001248205317 804895458 /nfs/dbraw/zinc/89/54/58/804895458.db2.gz GGUVHMBMYPIENE-GFCCVEGCSA-N 1 1 270.336 3.044 20 30 CGEDMO C[N@@H+](CCc1cccc(Cl)c1)Cc1ccc(C#N)cn1 ZINC001144163168 804946824 /nfs/dbraw/zinc/94/68/24/804946824.db2.gz RGEFPIMPEMPHQB-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001248748218 804982784 /nfs/dbraw/zinc/98/27/84/804982784.db2.gz AWLUMPFCVFZMSK-CABCVRRESA-N 1 1 276.330 3.208 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2c[nH]c3nc(Cl)ccc23)C1 ZINC001144414345 804983037 /nfs/dbraw/zinc/98/30/37/804983037.db2.gz BWVBEJGEJUQOII-LLVKDONJSA-N 1 1 288.782 3.342 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC001248751870 804983734 /nfs/dbraw/zinc/98/37/34/804983734.db2.gz NGOZJSICRQXVET-IYBDPMFKSA-N 1 1 254.377 3.208 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@@H+](C)C[C@@H]1CCCCO1 ZINC001248751482 804984102 /nfs/dbraw/zinc/98/41/02/804984102.db2.gz XZGFKXOCARVLNZ-KRWDZBQOSA-N 1 1 272.392 3.122 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CCOC)cc1 ZINC001144573403 805009333 /nfs/dbraw/zinc/00/93/33/805009333.db2.gz IOGXAFUZQSLWAP-QGZVFWFLSA-N 1 1 257.377 3.059 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC[C@@H](c3ccccn3)C2)cc1 ZINC001144573676 805009354 /nfs/dbraw/zinc/00/93/54/805009354.db2.gz OKYPLKPAHYKTDY-GOSISDBHSA-N 1 1 276.383 3.443 20 30 CGEDMO C#Cc1ccc(C[N@@H+](C)C[C@H]2Cc3ccccc3O2)cc1 ZINC001144580778 805011437 /nfs/dbraw/zinc/01/14/37/805011437.db2.gz JFLVAPRCEKLROC-GOSISDBHSA-N 1 1 277.367 3.103 20 30 CGEDMO Cc1cc(C[NH+]2CCC(S)CC2)c(Cl)nc1C ZINC001249029335 805076515 /nfs/dbraw/zinc/07/65/15/805076515.db2.gz UCBZROXAGQSZQD-UHFFFAOYSA-N 1 1 270.829 3.246 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC2(CN(C(=O)C=C(C)C)C2)C1 ZINC001146939771 805098933 /nfs/dbraw/zinc/09/89/33/805098933.db2.gz HQIFVRIFDZICCS-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H](CC)CCCC)C2)C1 ZINC001147034812 805103957 /nfs/dbraw/zinc/10/39/57/805103957.db2.gz RPANTLODQHFZNO-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)C[C@H](C)CC)C2)C1 ZINC001147435433 805129190 /nfs/dbraw/zinc/12/91/90/805129190.db2.gz QSOCZQCHNMBODK-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CCC(=O)N1CC2(C1)CC[N@@H+](Cc1ccccc1)C2 ZINC001147639879 805141709 /nfs/dbraw/zinc/14/17/09/805141709.db2.gz FTNJGJOKUINJEH-UHFFFAOYSA-N 1 1 298.430 3.077 20 30 CGEDMO N#Cc1ccc2cc(C[N@@H+]3CC[C@H](C(F)(F)F)C3)[nH]c2c1 ZINC001249429050 805146803 /nfs/dbraw/zinc/14/68/03/805146803.db2.gz LGEYSSWZAZRVRF-LBPRGKRZSA-N 1 1 293.292 3.424 20 30 CGEDMO N#Cc1ccc2cc(C[N@H+]3CC[C@H]4CCCO[C@H]4C3)[nH]c2c1 ZINC001249426711 805147537 /nfs/dbraw/zinc/14/75/37/805147537.db2.gz DBTINCKJNZAILM-KDOFPFPSSA-N 1 1 295.386 3.040 20 30 CGEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)[C@H](C)C(CC)CC)C2)C1 ZINC001147831133 805152144 /nfs/dbraw/zinc/15/21/44/805152144.db2.gz ZQTDXGBJDSLEKW-OAHLLOKOSA-N 1 1 292.467 3.169 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2cccc3c2CCC3)CC1 ZINC001249458818 805154131 /nfs/dbraw/zinc/15/41/31/805154131.db2.gz QRKUFVLSXDSJJY-CQSZACIVSA-N 1 1 254.377 3.301 20 30 CGEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C)CC(C)(C)C)C2)C1 ZINC001148395695 805179178 /nfs/dbraw/zinc/17/91/78/805179178.db2.gz CLFPPIZAWOUNNE-HNNXBMFYSA-N 1 1 292.467 3.169 20 30 CGEDMO COc1ccc(C#N)c(Nc2cc[nH+]cc2C(F)(F)F)c1 ZINC001249590173 805183455 /nfs/dbraw/zinc/18/34/55/805183455.db2.gz NXIKSIACGIVAGJ-UHFFFAOYSA-N 1 1 293.248 3.146 20 30 CGEDMO CCCCCCCCCC(=O)NCC[NH2+]Cc1ccon1 ZINC001148820493 805211024 /nfs/dbraw/zinc/21/10/24/805211024.db2.gz GJTZWBJFEHGMAB-UHFFFAOYSA-N 1 1 295.427 3.021 20 30 CGEDMO C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)c1ccco1 ZINC001151578830 805298927 /nfs/dbraw/zinc/29/89/27/805298927.db2.gz UOQRGBIIWDNQIS-OAHLLOKOSA-N 1 1 292.423 3.466 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)CC1CCCC1 ZINC001151654200 805304990 /nfs/dbraw/zinc/30/49/90/805304990.db2.gz IRPWOMYMVJQWQG-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)c1ccc[nH]1 ZINC001151865158 805318013 /nfs/dbraw/zinc/31/80/13/805318013.db2.gz NALJMZWQVXZIIY-OAHLLOKOSA-N 1 1 293.455 3.425 20 30 CGEDMO C=CCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1csc(C)c1 ZINC001152312778 805344088 /nfs/dbraw/zinc/34/40/88/805344088.db2.gz AZLBRTJSJJMTCW-CYBMUJFWSA-N 1 1 294.464 3.349 20 30 CGEDMO C#CCCCCC(=O)NC[C@@H](C)[N@H+](CC)C[C@H](C)CC ZINC001152841450 805371965 /nfs/dbraw/zinc/37/19/65/805371965.db2.gz CQSAFQATYBUYLR-HZPDHXFCSA-N 1 1 280.456 3.053 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)CNC(=O)CCC[C@H](C)CCC ZINC001153566688 805403118 /nfs/dbraw/zinc/40/31/18/805403118.db2.gz JPZVYBQYEIGABO-HZPDHXFCSA-N 1 1 280.456 3.053 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)CCC ZINC001153599651 805406251 /nfs/dbraw/zinc/40/62/51/805406251.db2.gz ZTKSGRUPZNYYAQ-LLVKDONJSA-N 1 1 274.836 3.002 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C[C@H]1CC=CCC1 ZINC001154614747 805467619 /nfs/dbraw/zinc/46/76/19/805467619.db2.gz CIBCDDBPZDXAJJ-CABCVRRESA-N 1 1 298.858 3.312 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C[C@H]1CC=CCC1 ZINC001154614747 805467622 /nfs/dbraw/zinc/46/76/22/805467622.db2.gz CIBCDDBPZDXAJJ-CABCVRRESA-N 1 1 298.858 3.312 20 30 CGEDMO CC#CCCCC(=O)NC[C@@H](C)[N@H+](CC)CC/C=C\CC ZINC001154747771 805483437 /nfs/dbraw/zinc/48/34/37/805483437.db2.gz WAPPLAFYNFBRNE-FPISAVPCSA-N 1 1 292.467 3.363 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H](C)[N@@H+](CC)C/C=C\Cl ZINC001155072591 805535246 /nfs/dbraw/zinc/53/52/46/805535246.db2.gz FZBHEYZAVYXFNL-OHXSVUBBSA-N 1 1 286.847 3.168 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H](C)[N@H+](CC)CCCCC)C1 ZINC001155120830 805543068 /nfs/dbraw/zinc/54/30/68/805543068.db2.gz VFUWQOKPAMRZCO-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CC[N@@H+](C)Cc1cc(F)c(OC(C)C)c(Cl)c1 ZINC001250296981 805549571 /nfs/dbraw/zinc/54/95/71/805549571.db2.gz CEFOKXIJAJGCGC-UHFFFAOYSA-N 1 1 269.747 3.331 20 30 CGEDMO C#CC[N@H+](C)Cc1cc(F)c(OC(C)C)c(Cl)c1 ZINC001250296981 805549576 /nfs/dbraw/zinc/54/95/76/805549576.db2.gz CEFOKXIJAJGCGC-UHFFFAOYSA-N 1 1 269.747 3.331 20 30 CGEDMO N#Cc1c[nH]c2cc[nH+]c(N3CCC4(CC(F)C4)CC3)c12 ZINC001165310108 806992608 /nfs/dbraw/zinc/99/26/08/806992608.db2.gz QCGVYFDCBFWMGT-UHFFFAOYSA-N 1 1 284.338 3.153 20 30 CGEDMO N#CCOc1ccc(Nc2cc[nH+]cc2C(F)(F)F)cc1 ZINC001212604458 815083037 /nfs/dbraw/zinc/08/30/37/815083037.db2.gz DYAXQEXOKMMFNH-UHFFFAOYSA-N 1 1 293.248 3.168 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](CC)C1 ZINC001257140781 807055901 /nfs/dbraw/zinc/05/59/01/807055901.db2.gz WQLGMVHMSORFDA-ZIAGYGMSSA-N 1 1 282.428 3.282 20 30 CGEDMO C=CCN1CC[C@@]2(CCC[N@H+]([C@@H](CC)CCCC)C2)C1=O ZINC001257421173 807146769 /nfs/dbraw/zinc/14/67/69/807146769.db2.gz UFRCGGHOBMWWCN-FUHWJXTLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCOC(=O)N1CCC2(CCC[N@H+]([C@H](C)CC)C2)CC1 ZINC001257437356 807156036 /nfs/dbraw/zinc/15/60/36/807156036.db2.gz HPZLVLHAPYFJIO-OAHLLOKOSA-N 1 1 294.439 3.286 20 30 CGEDMO C#CCOCC[N@H+](CCC)[C@@H](CC)c1ccccc1 ZINC001167218834 807168251 /nfs/dbraw/zinc/16/82/51/807168251.db2.gz SXZQYCOUVYVXPJ-KRWDZBQOSA-N 1 1 259.393 3.500 20 30 CGEDMO CCCCC[C@@H](C)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001257513289 807188378 /nfs/dbraw/zinc/18/83/78/807188378.db2.gz SCTMOZQDQUHOAR-YPMHNXCESA-N 1 1 253.411 3.229 20 30 CGEDMO CC(=O)Nc1cc[nH+]c(N[C@@H](C)c2cccc(C#N)c2)c1 ZINC001167708935 807231095 /nfs/dbraw/zinc/23/10/95/807231095.db2.gz PNPSEWRNYVRFIC-NSHDSACASA-N 1 1 280.331 3.085 20 30 CGEDMO C=C1C[C@@H]2CC([NH2+]C3(C(=O)OCC)CCC3)C[C@H](C1)C2 ZINC001257887525 807238739 /nfs/dbraw/zinc/23/87/39/807238739.db2.gz CFEJINBDUXZHHP-YIONKMFJSA-N 1 1 277.408 3.197 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CC[C@]4(CCCO4)C3)C[C@H](C1)C2 ZINC001257891921 807242178 /nfs/dbraw/zinc/24/21/78/807242178.db2.gz QUEVXBGXVSISTB-FCLJQHQZSA-N 1 1 261.409 3.376 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCN(CC)[C@H](C)C3)C[C@H](C1)C2 ZINC001257894357 807243738 /nfs/dbraw/zinc/24/37/38/807243738.db2.gz QOSFPWCWCKAEQK-VPSFDDGASA-N 1 1 262.441 3.147 20 30 CGEDMO CCCCCCC[C@H](C)N1CC[NH+](CCCOC)CC1 ZINC001258049750 807275379 /nfs/dbraw/zinc/27/53/79/807275379.db2.gz OCWLICWKXWRSML-KRWDZBQOSA-N 1 1 284.488 3.390 20 30 CGEDMO N#Cc1cccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167958961 807286218 /nfs/dbraw/zinc/28/62/18/807286218.db2.gz LBGMOKFIAJGUTF-YQQQUEKLSA-N 1 1 295.430 3.053 20 30 CGEDMO N#Cc1cccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167958961 807286225 /nfs/dbraw/zinc/28/62/25/807286225.db2.gz LBGMOKFIAJGUTF-YQQQUEKLSA-N 1 1 295.430 3.053 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC001168424918 807410855 /nfs/dbraw/zinc/41/08/55/807410855.db2.gz YLBCUWLVSTXRQG-QWHCGFSZSA-N 1 1 259.340 3.089 20 30 CGEDMO C=CC[C@@](C)([NH2+][C@@H](CC)CCCCC)C(=O)OC ZINC001258437242 807450132 /nfs/dbraw/zinc/45/01/32/807450132.db2.gz XMMNTEJLDIMKJQ-DZGCQCFKSA-N 1 1 255.402 3.443 20 30 CGEDMO C=CC[C@@](C)([NH2+][C@H](CC)CCCCC)C(=O)OC ZINC001258437243 807450386 /nfs/dbraw/zinc/45/03/86/807450386.db2.gz XMMNTEJLDIMKJQ-UKRRQHHQSA-N 1 1 255.402 3.443 20 30 CGEDMO C[N@@H+](CCC#N)[C@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC001258553410 807492172 /nfs/dbraw/zinc/49/21/72/807492172.db2.gz HFIHLXUXUCCTNY-ZDUSSCGKSA-N 1 1 295.427 3.010 20 30 CGEDMO C[N@@H+](CCC#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC001258553409 807492619 /nfs/dbraw/zinc/49/26/19/807492619.db2.gz HFIHLXUXUCCTNY-CYBMUJFWSA-N 1 1 295.427 3.010 20 30 CGEDMO CCC[N@H+](CCC#N)[C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168864157 807532951 /nfs/dbraw/zinc/53/29/51/807532951.db2.gz MLIVIBVANOQNEQ-UONOGXRCSA-N 1 1 295.427 3.010 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168864157 807532957 /nfs/dbraw/zinc/53/29/57/807532957.db2.gz MLIVIBVANOQNEQ-UONOGXRCSA-N 1 1 295.427 3.010 20 30 CGEDMO CC[C@@H](c1ccncc1)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC001168910636 807537445 /nfs/dbraw/zinc/53/74/45/807537445.db2.gz CEVARAJZPBHBII-ROUUACIJSA-N 1 1 295.386 3.070 20 30 CGEDMO C=CC[C@@](C)([NH2+][C@@H]1C[C@H](C)CC(C)(C)C1)C(=O)OC ZINC001258694833 807550546 /nfs/dbraw/zinc/55/05/46/807550546.db2.gz WIGWBPUFEVLKOM-WOSRLPQWSA-N 1 1 267.413 3.299 20 30 CGEDMO CCCCCCC[C@@H](CC(C)C)[N@@H+](CCN)CCO ZINC001258715519 807565287 /nfs/dbraw/zinc/56/52/87/807565287.db2.gz HIIBCOWTNRPGPS-INIZCTEOSA-N 1 1 272.477 3.015 20 30 CGEDMO CCCCCCC[C@@H](CC(C)C)N(CC[NH3+])CCO ZINC001258715519 807565297 /nfs/dbraw/zinc/56/52/97/807565297.db2.gz HIIBCOWTNRPGPS-INIZCTEOSA-N 1 1 272.477 3.015 20 30 CGEDMO C=CCC[C@H](C)n1cc(C(=O)C[NH3+])c2ccccc21 ZINC001258718802 807567833 /nfs/dbraw/zinc/56/78/33/807567833.db2.gz VSEHHQFQSIFQBP-LBPRGKRZSA-N 1 1 256.349 3.310 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001258727655 807574525 /nfs/dbraw/zinc/57/45/25/807574525.db2.gz HJAIHRXQLYARKA-QRQLOZEOSA-N 1 1 299.462 3.190 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](OC(=O)OC(C)(C)C)C1 ZINC001258726520 807575195 /nfs/dbraw/zinc/57/51/95/807575195.db2.gz UAVFRSVYIXUBNV-CHWSQXEVSA-N 1 1 269.385 3.367 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC[C@@H](C)C[C@@H]1C(=O)OCC ZINC001258732177 807577668 /nfs/dbraw/zinc/57/76/68/807577668.db2.gz JNULRFZHBGQDEH-MGPQQGTHSA-N 1 1 253.386 3.005 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1Cc2ccccc2[C@H](C(=O)OC)C1 ZINC001258733616 807578970 /nfs/dbraw/zinc/57/89/70/807578970.db2.gz KAXJVVDBKGMVAK-CZUORRHYSA-N 1 1 273.376 3.114 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C1CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001258733233 807579650 /nfs/dbraw/zinc/57/96/50/807579650.db2.gz WUEGWAGFJOQJBV-ZDUSSCGKSA-N 1 1 294.439 3.425 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)Cc1cc(OC)c(OC)c(OC)c1 ZINC001258735013 807580244 /nfs/dbraw/zinc/58/02/44/807580244.db2.gz MNICSLGPZCGGQO-CYBMUJFWSA-N 1 1 293.407 3.499 20 30 CGEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](N(CCC#N)Cc1ccccc1)C2 ZINC001169125221 807586182 /nfs/dbraw/zinc/58/61/82/807586182.db2.gz WLFOQSMHBQFTHB-PIIMJCKOSA-N 1 1 283.419 3.027 20 30 CGEDMO CC[C@H](C)C[C@H](CC)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001258792963 807615119 /nfs/dbraw/zinc/61/51/19/807615119.db2.gz ZLOOCKKYCLKAPY-UBHSHLNASA-N 1 1 267.438 3.475 20 30 CGEDMO C=CC[N@H+]([C@H](C)CC(=O)N(CC)CC)C1CCCCC1 ZINC001169486391 807650925 /nfs/dbraw/zinc/65/09/25/807650925.db2.gz HVNBBBOHUHVVHK-OAHLLOKOSA-N 1 1 280.456 3.454 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(NC[C@H](C)OC)cc1 ZINC001169777607 807708125 /nfs/dbraw/zinc/70/81/25/807708125.db2.gz BDQROUTXDHQTPM-YOEHRIQHSA-N 1 1 274.408 3.456 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2nc3c(s2)C[C@@H](C)CC3)C1 ZINC001261560596 807758293 /nfs/dbraw/zinc/75/82/93/807758293.db2.gz VLLMCGQVILUWSS-STQMWFEESA-N 1 1 274.433 3.113 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2nc3c(s2)C[C@@H](C)CC3)C1 ZINC001261560596 807758298 /nfs/dbraw/zinc/75/82/98/807758298.db2.gz VLLMCGQVILUWSS-STQMWFEESA-N 1 1 274.433 3.113 20 30 CGEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+]([C@@H]1CC[C@@H](C)C1)C2 ZINC001170137605 807773161 /nfs/dbraw/zinc/77/31/61/807773161.db2.gz OJEQRHUFQCWIIG-BRSBDYLESA-N 1 1 293.451 3.249 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1c[nH]nc1C(C)(C)C ZINC001262012296 807805247 /nfs/dbraw/zinc/80/52/47/807805247.db2.gz QXURKRSWEAMGFY-UHFFFAOYSA-N 1 1 296.418 3.253 20 30 CGEDMO C[C@@H]1C[N@H+](C[C@H]2CCCC(C)(C)C2)C[C@H](C)N1CC#N ZINC001262112510 807825555 /nfs/dbraw/zinc/82/55/55/807825555.db2.gz LGRGTWQVLMTWFY-XHSDSOJGSA-N 1 1 277.456 3.121 20 30 CGEDMO N#C[C@H]1CC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170389100 807834018 /nfs/dbraw/zinc/83/40/18/807834018.db2.gz KNPSHZJYYPWXOA-FAEJEUNOSA-N 1 1 279.387 3.236 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170763999 807901482 /nfs/dbraw/zinc/90/14/82/807901482.db2.gz DOHUPPGDHBVNKV-PHZGNYQRSA-N 1 1 254.377 3.425 20 30 CGEDMO C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@@H]1CCCOCC1 ZINC001170828266 807919748 /nfs/dbraw/zinc/91/97/48/807919748.db2.gz XNOVYXKKDZXEKD-SJLPKXTDSA-N 1 1 269.388 3.178 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC001171116849 807990425 /nfs/dbraw/zinc/99/04/25/807990425.db2.gz CLODNUNAVVVUJC-HNNXBMFYSA-N 1 1 268.445 3.147 20 30 CGEDMO CCN(CC)CC[N@H+](CC)[C@H](C)Cc1cccc(C#N)c1 ZINC001171221570 808010786 /nfs/dbraw/zinc/01/07/86/808010786.db2.gz PEICFMJVSUGYHC-MRXNPFEDSA-N 1 1 287.451 3.153 20 30 CGEDMO CCN(CC)CC[N@@H+](CC)[C@H](C)Cc1cccc(C#N)c1 ZINC001171221570 808010791 /nfs/dbraw/zinc/01/07/91/808010791.db2.gz PEICFMJVSUGYHC-MRXNPFEDSA-N 1 1 287.451 3.153 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1[C@@H]2CCC[N@H+](CC)[C@@H]2C1(C)C ZINC001264029834 808029439 /nfs/dbraw/zinc/02/94/39/808029439.db2.gz JWONNZTVWQBYBB-IMJJTQAJSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C(C)C)[C@H]1CC ZINC001264053300 808030858 /nfs/dbraw/zinc/03/08/58/808030858.db2.gz QTZZNGIHENDLTN-LSDHHAIUSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C/C=C/c2ccc(C)cc2)[C@H]1C ZINC001264179141 808043771 /nfs/dbraw/zinc/04/37/71/808043771.db2.gz JSVXFJWYYXFSQK-BHMLKFMNSA-N 1 1 298.430 3.163 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C/C=C(/C)C=C ZINC001264184038 808045222 /nfs/dbraw/zinc/04/52/22/808045222.db2.gz BYDOBRCDLXWISO-IZNAZMGOSA-N 1 1 276.424 3.008 20 30 CGEDMO C=C1CCC(C(=O)N2CCCC[C@H]2C[N@H+](C)CCC)CC1 ZINC001264185739 808046721 /nfs/dbraw/zinc/04/67/21/808046721.db2.gz JULDQYZVVDJGSK-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO N#C[C@H]1CCC[N@H+]([C@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171492671 808076496 /nfs/dbraw/zinc/07/64/96/808076496.db2.gz GYTIZTAIUZNXCM-WFASDCNBSA-N 1 1 290.357 3.448 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C[C@H](C=C)CC)[C@H]1CC ZINC001264615758 808082292 /nfs/dbraw/zinc/08/22/92/808082292.db2.gz DQWJCICFLPYSKD-OWCLPIDISA-N 1 1 278.440 3.134 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C=C(CC)CC)[C@H]1C ZINC001264696318 808086132 /nfs/dbraw/zinc/08/61/32/808086132.db2.gz NLJDNQFOZQVFCH-OCCSQVGLSA-N 1 1 284.831 3.064 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C=C(CC)CC)[C@H]1C ZINC001264696318 808086137 /nfs/dbraw/zinc/08/61/37/808086137.db2.gz NLJDNQFOZQVFCH-OCCSQVGLSA-N 1 1 284.831 3.064 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1ccsc1C ZINC001264740118 808089812 /nfs/dbraw/zinc/08/98/12/808089812.db2.gz FIDAVCYBLPFVHG-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO Cc1cccc2c1CC[C@H]([N@H+]1CCC[C@H](C#N)C1)C2 ZINC001171571471 808101246 /nfs/dbraw/zinc/10/12/46/808101246.db2.gz YORJLZQPIJYFGF-ZBFHGGJFSA-N 1 1 254.377 3.088 20 30 CGEDMO C[C@@H]1C[C@H](N2CCC(C)(C#N)CC2)C[N@H+]1Cc1ccccc1 ZINC001171759927 808132282 /nfs/dbraw/zinc/13/22/82/808132282.db2.gz OLPRQWHVBSWFDI-AEFFLSMTSA-N 1 1 297.446 3.275 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)C=C(C)C)C1 ZINC001265384799 808137265 /nfs/dbraw/zinc/13/72/65/808137265.db2.gz PRBDNTYAJSCWCU-MRXNPFEDSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](F)C(C)C)C1 ZINC001265393443 808138513 /nfs/dbraw/zinc/13/85/13/808138513.db2.gz YPHUOHPBHCITHK-HZPDHXFCSA-N 1 1 298.446 3.117 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)CC)C1 ZINC001265395587 808139864 /nfs/dbraw/zinc/13/98/64/808139864.db2.gz ZXLQSPNCIBBFPE-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@H](C(=O)OC(C)(C)C)C2CC2)C1 ZINC001171847816 808149460 /nfs/dbraw/zinc/14/94/60/808149460.db2.gz UCWYLAFUISFMOY-ZFWWWQNUSA-N 1 1 279.424 3.395 20 30 CGEDMO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)OCCCC ZINC001171920531 808153550 /nfs/dbraw/zinc/15/35/50/808153550.db2.gz IMNHBGJJIZJATC-KFWWJZLASA-N 1 1 267.413 3.443 20 30 CGEDMO C#C[C@H]1CCC[N@H+](C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC001171929914 808155562 /nfs/dbraw/zinc/15/55/62/808155562.db2.gz MLPVAUSIWPVUOF-FHERZECASA-N 1 1 291.435 3.232 20 30 CGEDMO C=CCC(CC=C)C(=O)NC[C@@H]1CCC[N@H+](CC(=C)C)C1 ZINC001265584380 808156707 /nfs/dbraw/zinc/15/67/07/808156707.db2.gz LZPAJGYWDCHZBB-INIZCTEOSA-N 1 1 290.451 3.159 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)CCC ZINC001265640721 808162489 /nfs/dbraw/zinc/16/24/89/808162489.db2.gz JITSUBHCIXPZMX-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CCC[NH2+][C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171984685 808164672 /nfs/dbraw/zinc/16/46/72/808164672.db2.gz XOMQEVQGCYMCMJ-KRWDZBQOSA-N 1 1 270.420 3.043 20 30 CGEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](CC)CC(C)C ZINC001265655512 808166506 /nfs/dbraw/zinc/16/65/06/808166506.db2.gz JOSZVSYDFAFMDH-IRXDYDNUSA-N 1 1 292.467 3.053 20 30 CGEDMO C[C@@H](C#N)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077039 808169945 /nfs/dbraw/zinc/16/99/45/808169945.db2.gz ONGJWOMZEMVXCT-LEUOFYLZSA-N 1 1 283.419 3.074 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)/C=C\C(C)(C)C ZINC001265815133 808184424 /nfs/dbraw/zinc/18/44/24/808184424.db2.gz OYCACFUIMYOKKR-QYMJWVLRSA-N 1 1 280.456 3.382 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)c1cccc(F)c1C ZINC001266045527 808205210 /nfs/dbraw/zinc/20/52/10/808205210.db2.gz BEZARHNVFJPJFR-UHFFFAOYSA-N 1 1 292.398 3.152 20 30 CGEDMO CCCCCCCC[N@@H+](CCN)C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172234992 808207078 /nfs/dbraw/zinc/20/70/78/808207078.db2.gz RHRAQEZLSJYBAH-ALOPSCKCSA-N 1 1 280.456 3.094 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@@H](C)CCC)C1 ZINC001266093857 808209323 /nfs/dbraw/zinc/20/93/23/808209323.db2.gz MAVXXBUZUWYAKS-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H]1c1ncccn1 ZINC001172317065 808226653 /nfs/dbraw/zinc/22/66/53/808226653.db2.gz PFPWSIDSYZCFTC-YOEHRIQHSA-N 1 1 292.386 3.116 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)c1ccccc1 ZINC001266198761 808226953 /nfs/dbraw/zinc/22/69/53/808226953.db2.gz NHFALNODRCKXQM-KRWDZBQOSA-N 1 1 286.419 3.237 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)oc2C)C1 ZINC001266201759 808227484 /nfs/dbraw/zinc/22/74/84/808227484.db2.gz ZQKKQSNWJHIKQK-HNNXBMFYSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CCOC(=O)[C@@H]([NH2+][C@@H](C)CCO[C@@H](C)CC)[C@@H](C)CC ZINC001172323833 808233163 /nfs/dbraw/zinc/23/31/63/808233163.db2.gz FANCVFBGWRIMOD-VGWMRTNUSA-N 1 1 299.455 3.314 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[N@H+](C)[C@@H](C)c1ccccc1 ZINC001266309271 808239364 /nfs/dbraw/zinc/23/93/64/808239364.db2.gz RZTKBUBFUJZIFL-AWEZNQCLSA-N 1 1 274.408 3.008 20 30 CGEDMO C=CCCCC(=O)NCC[N@H+](C)Cc1cc(F)ccc1C ZINC001266316103 808242047 /nfs/dbraw/zinc/24/20/47/808242047.db2.gz RSXAKTVFINUCRJ-UHFFFAOYSA-N 1 1 292.398 3.038 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)[C@H](C)[C@H](C)C(C)(C)C ZINC001266338171 808245273 /nfs/dbraw/zinc/24/52/73/808245273.db2.gz YITQGAWKZDESOE-CABCVRRESA-N 1 1 282.472 3.319 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](C[C@H](C)CC(C)C)C2)C1 ZINC001266343174 808245284 /nfs/dbraw/zinc/24/52/84/808245284.db2.gz ZKOSYVKTZVSTCZ-ZBFHGGJFSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc(F)cc1C ZINC001266350713 808246945 /nfs/dbraw/zinc/24/69/45/808246945.db2.gz QJOLWCKWXVJIBL-AWEZNQCLSA-N 1 1 292.398 3.150 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)C[C@H]1CCC[C@H]1C ZINC001266392443 808255511 /nfs/dbraw/zinc/25/55/11/808255511.db2.gz HSLWLGXVUFITOR-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)C[C@@H](C)CC(C)C)C1 ZINC001266472869 808272734 /nfs/dbraw/zinc/27/27/34/808272734.db2.gz SIIQYUWOQHMBBX-DLBZAZTESA-N 1 1 294.483 3.415 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+]1CC(CC)CC ZINC001266477340 808273015 /nfs/dbraw/zinc/27/30/15/808273015.db2.gz NXUHLMWERIXAPS-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@](C)(CC)CCC ZINC001266488794 808275197 /nfs/dbraw/zinc/27/51/97/808275197.db2.gz PPXIHPOTILBPEQ-NVXWUHKLSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)[C@]1(C)CCC[C@H]1CC ZINC001266565204 808287471 /nfs/dbraw/zinc/28/74/71/808287471.db2.gz PKXFYZUWYTXJSI-NVXWUHKLSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001266575055 808289890 /nfs/dbraw/zinc/28/98/90/808289890.db2.gz BAFVLOHDHFQLRD-QAQDUYKDSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCOC(=O)N[C@H]1CCC[N@H+]([C@H](CC)CC(C)C)C1 ZINC001172401653 808290394 /nfs/dbraw/zinc/29/03/94/808290394.db2.gz GIQPGPGQRKCWKE-LSDHHAIUSA-N 1 1 282.428 3.188 20 30 CGEDMO C=CC[N@H+](CCNC(=O)[C@H]1CC[C@H](C(C)C)CC1)C1CC1 ZINC001266615602 808296098 /nfs/dbraw/zinc/29/60/98/808296098.db2.gz NJJOFZYLVLCLIL-WKILWMFISA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CCNC(=O)C1(C)CC=CC1)C1CC1 ZINC001266609710 808297034 /nfs/dbraw/zinc/29/70/34/808297034.db2.gz VMYLNYFMSMDILI-HNNXBMFYSA-N 1 1 290.451 3.278 20 30 CGEDMO C#CCC[N@H+](CCNC(=O)c1ccc(C(C)C)cc1)C1CC1 ZINC001266617421 808298307 /nfs/dbraw/zinc/29/83/07/808298307.db2.gz IUPIQHBACRIIBJ-UHFFFAOYSA-N 1 1 298.430 3.028 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@H]1CCC[N@H+](CC(=C)Cl)C1 ZINC001266760645 808314472 /nfs/dbraw/zinc/31/44/72/808314472.db2.gz KCWQGGMXLLJGKX-GDBMZVCRSA-N 1 1 298.858 3.169 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@H]1CCC[N@@H+](CC(=C)Cl)C1 ZINC001266760645 808314478 /nfs/dbraw/zinc/31/44/78/808314478.db2.gz KCWQGGMXLLJGKX-GDBMZVCRSA-N 1 1 298.858 3.169 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@H]1CCC[N@@H+](C/C=C/Cl)C1 ZINC001266760912 808314548 /nfs/dbraw/zinc/31/45/48/808314548.db2.gz OYLORTACMKSQIH-JNYVMKGUSA-N 1 1 298.858 3.169 20 30 CGEDMO CCCCC[N@H+]1CCCC[C@H]1CNC(=O)C#CC(C)(C)C ZINC001266841990 808322637 /nfs/dbraw/zinc/32/26/37/808322637.db2.gz FWLWCFRABSQZGJ-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCC[N@@H+]1C/C=C\Cl ZINC001266849914 808323036 /nfs/dbraw/zinc/32/30/36/808323036.db2.gz PNWXTFADCLKOLM-LEJCZOIISA-N 1 1 298.858 3.312 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCC[N@H+]1C/C=C\Cl ZINC001266849914 808323040 /nfs/dbraw/zinc/32/30/40/808323040.db2.gz PNWXTFADCLKOLM-LEJCZOIISA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCCCC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001266895674 808333084 /nfs/dbraw/zinc/33/30/84/808333084.db2.gz RFNACRFWSCLCJW-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC001172491933 808352463 /nfs/dbraw/zinc/35/24/63/808352463.db2.gz IIJRTPZJOWBKKP-NVXWUHKLSA-N 1 1 271.408 3.057 20 30 CGEDMO C[C@H](CCCC#N)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001172497284 808353025 /nfs/dbraw/zinc/35/30/25/808353025.db2.gz AORONQQANMESIP-CQSZACIVSA-N 1 1 259.397 3.267 20 30 CGEDMO C[C@@H](CCCC#N)[N@@H+]1CCn2c(-c3ccccc3)cnc2C1 ZINC001172498177 808355538 /nfs/dbraw/zinc/35/55/38/808355538.db2.gz JKTFLEZMRIDXSN-HNNXBMFYSA-N 1 1 294.402 3.448 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCn2c(-c3ccccc3)cnc2C1 ZINC001172498177 808355545 /nfs/dbraw/zinc/35/55/45/808355545.db2.gz JKTFLEZMRIDXSN-HNNXBMFYSA-N 1 1 294.402 3.448 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCc2nn(-c3ccccc3)cc2C1 ZINC001172498509 808355856 /nfs/dbraw/zinc/35/58/56/808355856.db2.gz NRKCNBWFKKAKMJ-OAHLLOKOSA-N 1 1 294.402 3.313 20 30 CGEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)CCCC[C@H](C)CC)C1 ZINC001267104055 808357331 /nfs/dbraw/zinc/35/73/31/808357331.db2.gz LBOBUSTZXLOPPP-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)C2(CCF)CC2)C1 ZINC001267109436 808360039 /nfs/dbraw/zinc/36/00/39/808360039.db2.gz VKKKYJYPQNZMJX-HNNXBMFYSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)C2(CF)CCC2)C1 ZINC001267110920 808360156 /nfs/dbraw/zinc/36/01/56/808360156.db2.gz DFGKYKFNVYQCFK-OAHLLOKOSA-N 1 1 296.430 3.015 20 30 CGEDMO C[C@@H](CCCC#N)N1CC[N@H+](C2CCCCC2)[C@@H](C)C1 ZINC001172506376 808362189 /nfs/dbraw/zinc/36/21/89/808362189.db2.gz SFNHNYLYILZSMH-HOTGVXAUSA-N 1 1 277.456 3.408 20 30 CGEDMO C[C@@H](CCCC#N)[N@@H+]1CCn2cc(-c3ccccc3)nc2C1 ZINC001172510223 808366423 /nfs/dbraw/zinc/36/64/23/808366423.db2.gz XRCBYWWOTQCKQR-HNNXBMFYSA-N 1 1 294.402 3.448 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCn2cc(-c3ccccc3)nc2C1 ZINC001172510223 808366431 /nfs/dbraw/zinc/36/64/31/808366431.db2.gz XRCBYWWOTQCKQR-HNNXBMFYSA-N 1 1 294.402 3.448 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H]1CCCNC(=O)C1CCCC1 ZINC001267157394 808369352 /nfs/dbraw/zinc/36/93/52/808369352.db2.gz DEKAGHAPYQSKNG-OAHLLOKOSA-N 1 1 298.858 3.290 20 30 CGEDMO C=CC[N@H+](C)CCNC(=O)c1ccccc1C(C)(C)CC ZINC001267204362 808381405 /nfs/dbraw/zinc/38/14/05/808381405.db2.gz YVDBKOIZWAZHEI-UHFFFAOYSA-N 1 1 288.435 3.222 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)CCNC(=O)c1ccoc1C(C)C ZINC001267233416 808387900 /nfs/dbraw/zinc/38/79/00/808387900.db2.gz NXBRFHGRLDHCAR-CQSZACIVSA-N 1 1 292.423 3.419 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@](C)(CC)CCCCC ZINC001267283674 808404154 /nfs/dbraw/zinc/40/41/54/808404154.db2.gz PQWVKKAIOOBFMB-SJLPKXTDSA-N 1 1 292.467 3.197 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](CCCC)C(C)C ZINC001267282040 808404254 /nfs/dbraw/zinc/40/42/54/808404254.db2.gz AIYNYUVHRRRJTN-SJORKVTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=C1CCC(C(=O)NC[C@H]2CC[N@H+](CCCCC)C2)CC1 ZINC001267302831 808407931 /nfs/dbraw/zinc/40/79/31/808407931.db2.gz SPYWBQQTVNRZLJ-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@H](CC)CCC)C1 ZINC001267304590 808408303 /nfs/dbraw/zinc/40/83/03/808408303.db2.gz KJUPIOHZDPJGBG-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC/C=C\CC ZINC001267409317 808424051 /nfs/dbraw/zinc/42/40/51/808424051.db2.gz DNZJWDTWOPXDAJ-YKZUCCNHSA-N 1 1 290.451 3.374 20 30 CGEDMO CC#CC[N@H+](CCCNC(=O)CC(C)(C)CC)C(C)C ZINC001267503130 808434596 /nfs/dbraw/zinc/43/45/96/808434596.db2.gz PSMYPLSRXOIDOV-UHFFFAOYSA-N 1 1 280.456 3.053 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](CCNC(=O)C(C)(C)C(C)C)C1 ZINC001267530417 808441105 /nfs/dbraw/zinc/44/11/05/808441105.db2.gz BLOHFSYQQWFMKA-OAHLLOKOSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCC(=O)NCC[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001267556279 808446028 /nfs/dbraw/zinc/44/60/28/808446028.db2.gz TZEHYNMTEBEGIS-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)C2CCCCC2)C1 ZINC001267550009 808446676 /nfs/dbraw/zinc/44/66/76/808446676.db2.gz NJYDWUINBYWZPA-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC2(C)C)C1 ZINC001267565320 808447751 /nfs/dbraw/zinc/44/77/51/808447751.db2.gz ZMVSYGSEPHHPKG-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)[C@]2(C)C=CCC2)C1 ZINC001267564216 808448231 /nfs/dbraw/zinc/44/82/31/808448231.db2.gz OAYSWZLWBCMUAA-SJLPKXTDSA-N 1 1 290.451 3.137 20 30 CGEDMO C#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)CCCCCC)C1 ZINC001267591912 808454068 /nfs/dbraw/zinc/45/40/68/808454068.db2.gz LFUGFEDKRZKIIQ-IRXDYDNUSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)CCCC)C1 ZINC001267611537 808457080 /nfs/dbraw/zinc/45/70/80/808457080.db2.gz ZGUCDLJWPKPLJM-HUUCEWRRSA-N 1 1 266.429 3.112 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)C(C)(C)CC)C1 ZINC001267618998 808459471 /nfs/dbraw/zinc/45/94/71/808459471.db2.gz XQNBMYWXZFBASF-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@@H]2CCc3ccc(C)cc3C2)C1 ZINC001172844921 808459696 /nfs/dbraw/zinc/45/96/96/808459696.db2.gz VWOPHKQWTHAHNN-CRAIPNDOSA-N 1 1 253.389 3.198 20 30 CGEDMO C=CCCC(=O)N1CC[C@H](C[N@H+](C)C[C@H](C)CC(C)C)C1 ZINC001267633260 808462649 /nfs/dbraw/zinc/46/26/49/808462649.db2.gz WBLQJYUMXKWTGN-IAGOWNOFSA-N 1 1 294.483 3.415 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001267633928 808462955 /nfs/dbraw/zinc/46/29/55/808462955.db2.gz VHKDZZLXOVEMPA-HOTGVXAUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)CC)C1 ZINC001267685083 808470953 /nfs/dbraw/zinc/47/09/53/808470953.db2.gz XWKCJFTXQMTSPQ-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[N@H+](C)CC1CCN(C(=O)C[C@@H](C)CCC)CC1 ZINC001267718246 808476965 /nfs/dbraw/zinc/47/69/65/808476965.db2.gz DFUXOVLDUIJFMG-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2(CC)CCCCC2)C1 ZINC001267734618 808478204 /nfs/dbraw/zinc/47/82/04/808478204.db2.gz QTFCKNBDKDSUJB-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)CC(C)(C)C)C1 ZINC001267756189 808484120 /nfs/dbraw/zinc/48/41/20/808484120.db2.gz ASEWTTYALRAISV-GJZGRUSLSA-N 1 1 280.456 3.310 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)C[C@H]2C=CCC2)C1 ZINC001267780312 808489733 /nfs/dbraw/zinc/48/97/33/808489733.db2.gz LQDLZQVKKFJJBE-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H](CC)SC)C1 ZINC001267784233 808492519 /nfs/dbraw/zinc/49/25/19/808492519.db2.gz NXTOOBHUMJAELU-HUUCEWRRSA-N 1 1 298.496 3.017 20 30 CGEDMO C=CC[N@@H+](C)CCC1CCN(C(=O)C2(C)CCCC2)CC1 ZINC001268200571 808556113 /nfs/dbraw/zinc/55/61/13/808556113.db2.gz VDCAKZYHRDZIRG-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO CCCCCCCC[C@H](CCC)[N@H+]1C[C@H](O)C[C@@H]1CO ZINC001173308618 808604430 /nfs/dbraw/zinc/60/44/30/808604430.db2.gz BLSJPYWSXKWPPZ-GVDBMIGSSA-N 1 1 285.472 3.333 20 30 CGEDMO C=CCOC1CCC([N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001173322697 808611093 /nfs/dbraw/zinc/61/10/93/808611093.db2.gz IZPUVJZUKYPPOA-PJPHBNEVSA-N 1 1 251.414 3.478 20 30 CGEDMO C=CCOC1CCC([N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)CC1 ZINC001173324495 808611282 /nfs/dbraw/zinc/61/12/82/808611282.db2.gz PCNFYDABVYKOFN-URGYJCLVSA-N 1 1 285.378 3.477 20 30 CGEDMO C=CCOC1CCC([N@H+]2CC[C@]3(C2)CCCCO3)CC1 ZINC001173322141 808611863 /nfs/dbraw/zinc/61/18/63/808611863.db2.gz WGOWSZQVHNHFOE-JCYILVPMSA-N 1 1 279.424 3.145 20 30 CGEDMO C=CCOC1CCC([N@@H+](C)Cc2cscn2)CC1 ZINC001173326554 808612605 /nfs/dbraw/zinc/61/26/05/808612605.db2.gz KENJVIHECGTFFL-UHFFFAOYSA-N 1 1 266.410 3.089 20 30 CGEDMO CC(C)[N@@H+](CCCCCO)C1CCC(CC#N)CC1 ZINC001173336766 808617258 /nfs/dbraw/zinc/61/72/58/808617258.db2.gz KZAWAZQCIQWPNQ-UHFFFAOYSA-N 1 1 266.429 3.332 20 30 CGEDMO CC(C)(C)OC(=O)[C@H]1CC[N@H+](C2CCC(CC#N)CC2)C1 ZINC001173338641 808618700 /nfs/dbraw/zinc/61/87/00/808618700.db2.gz GILWSZMCARJNPK-SLTAFYQDSA-N 1 1 292.423 3.122 20 30 CGEDMO N#CCC1CCC([N@H+]2CC[C@@H](COCC3CC3)C2)CC1 ZINC001173337443 808618788 /nfs/dbraw/zinc/61/87/88/808618788.db2.gz KOGFQBHLMMBXDY-ARWYELJZSA-N 1 1 276.424 3.207 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@H](C)NC(=O)C1CC2(CCC2)C1 ZINC001268744300 808621998 /nfs/dbraw/zinc/62/19/98/808621998.db2.gz URQRSLVOJWMUIX-GJZGRUSLSA-N 1 1 292.467 3.358 20 30 CGEDMO COC(=O)CCCC[C@@H](C)[N@@H+](CCC#N)C1CCCC1 ZINC001173455242 808639270 /nfs/dbraw/zinc/63/92/70/808639270.db2.gz NYURWKNNAKVYDF-CQSZACIVSA-N 1 1 280.412 3.267 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)C/C=C(\C)C=C)C1 ZINC001269056566 808643848 /nfs/dbraw/zinc/64/38/48/808643848.db2.gz GXOLAFNIJMFQPU-GQXMGIGRSA-N 1 1 276.424 3.054 20 30 CGEDMO C[C@H]1c2cccn2CC[N@@H+]1C1CCC(C)(C#N)CC1 ZINC001173596892 808649821 /nfs/dbraw/zinc/64/98/21/808649821.db2.gz ACJHGECGYMKYGM-HLIUYOAVSA-N 1 1 257.381 3.337 20 30 CGEDMO C[C@H]1c2cccn2CC[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173596892 808649826 /nfs/dbraw/zinc/64/98/26/808649826.db2.gz ACJHGECGYMKYGM-HLIUYOAVSA-N 1 1 257.381 3.337 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CC[C@@H](c3cccnc3)C2)CC1 ZINC001173596298 808650052 /nfs/dbraw/zinc/65/00/52/808650052.db2.gz QWIXOTPWAQMKEN-KLAILNCOSA-N 1 1 269.392 3.343 20 30 CGEDMO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)C1CCC(C)(C#N)CC1 ZINC001173599060 808650989 /nfs/dbraw/zinc/65/09/89/808650989.db2.gz YPLBPSJBAWWUFK-FUJMWEONSA-N 1 1 280.412 3.121 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CC[C@]3(CC3(F)F)C2)CC1 ZINC001173597651 808651018 /nfs/dbraw/zinc/65/10/18/808651018.db2.gz CXPFOQJCYXKVBG-BPCQOVAHSA-N 1 1 254.324 3.190 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CCC[C@H](C(F)F)C2)CC1 ZINC001173599472 808651390 /nfs/dbraw/zinc/65/13/90/808651390.db2.gz MEZFLRVEQDXDJQ-DCBWTQNWSA-N 1 1 256.340 3.436 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C2(CCCC)CC2)C1 ZINC001269274598 808663321 /nfs/dbraw/zinc/66/33/21/808663321.db2.gz MRGSFAULKXINRL-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)C/C=C\c2ccc(C)cc2)C1 ZINC001269301268 808666372 /nfs/dbraw/zinc/66/63/72/808666372.db2.gz IVUZIVKYPJEIKF-XFHJGTJQSA-N 1 1 298.430 3.117 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@H]1CCC[C@H](n2ncnn2)C1 ZINC001173760655 808671140 /nfs/dbraw/zinc/67/11/40/808671140.db2.gz QKADMRCOGHRFFC-GJZGRUSLSA-N 1 1 279.432 3.059 20 30 CGEDMO C=C(C)CCC(=O)N(CC)[C@H]1CC[N@H+](C/C=C\Cl)C1 ZINC001269332781 808671290 /nfs/dbraw/zinc/67/12/90/808671290.db2.gz STYFQNBDRRZGCM-UQYHUFHVSA-N 1 1 284.831 3.018 20 30 CGEDMO C=C(C)CCC(=O)N(CC)[C@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC001269332781 808671291 /nfs/dbraw/zinc/67/12/91/808671291.db2.gz STYFQNBDRRZGCM-UQYHUFHVSA-N 1 1 284.831 3.018 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001269345435 808672111 /nfs/dbraw/zinc/67/21/11/808672111.db2.gz QUZLDKSRBFURMK-JKSUJKDBSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)CC[C@@H](C)CC)C2)C1 ZINC001269743243 808702473 /nfs/dbraw/zinc/70/24/73/808702473.db2.gz YYLMESNJZJLXND-WMZOPIPTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)/C=C(/C)C2CC2)CC1 ZINC001270212987 808721339 /nfs/dbraw/zinc/72/13/39/808721339.db2.gz ODFAUWTWFHSEAK-BENRWUELSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(C)CCC(=O)N[C@]1(C)CC[N@@H+](CC2CCCC2)C1 ZINC001270589566 808738463 /nfs/dbraw/zinc/73/84/63/808738463.db2.gz IFGRRSLJZGLVPQ-QGZVFWFLSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)/C(C)=C/C)C1 ZINC001270950425 808756820 /nfs/dbraw/zinc/75/68/20/808756820.db2.gz SIPKDYGNEJYHHQ-GFGNLIMNSA-N 1 1 278.440 3.137 20 30 CGEDMO C#CCCCCCC(=O)NC[C@@]1(C)CCC[N@H+](C(C)C)C1 ZINC001270983291 808758014 /nfs/dbraw/zinc/75/80/14/808758014.db2.gz PJRLZSXIYKWFGT-GOSISDBHSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2C(C)C)CC1 ZINC001271790140 808783628 /nfs/dbraw/zinc/78/36/28/808783628.db2.gz GMVPAGNZZDDGIG-DLBZAZTESA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)CCC(=O)N1CCC(CC[N@H+](C)CC2CC2)CC1 ZINC001271772733 808783800 /nfs/dbraw/zinc/78/38/00/808783800.db2.gz TYXOHCZABHWLQM-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)CC[C@H](C)CC)C[C@H]2C1 ZINC001271886959 808787221 /nfs/dbraw/zinc/78/72/21/808787221.db2.gz CNKDMLALVVGVAL-ZACQAIPSSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCC=C ZINC001272035415 808793192 /nfs/dbraw/zinc/79/31/92/808793192.db2.gz VXKRBVGIAYYKRW-IRXDYDNUSA-N 1 1 290.451 3.374 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC(C)(C)CC ZINC001272022738 808793563 /nfs/dbraw/zinc/79/35/63/808793563.db2.gz BMAOXXDPVGHOFH-HUUCEWRRSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@@H](C=C)CC)[C@@H]2C1 ZINC001272078276 808795801 /nfs/dbraw/zinc/79/58/01/808795801.db2.gz CKZMYWZJHCZSHK-YESZJQIVSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C)CCCC)[C@@H]2C1 ZINC001272071857 808796797 /nfs/dbraw/zinc/79/67/97/808796797.db2.gz OMJHPDUJLAOHBE-YESZJQIVSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2ccccc2CC)C1=O ZINC001272420015 808806634 /nfs/dbraw/zinc/80/66/34/808806634.db2.gz BVHWECNDSTUCMD-LJQANCHMSA-N 1 1 298.430 3.002 20 30 CGEDMO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CC(CC)CC ZINC001272421818 808807104 /nfs/dbraw/zinc/80/71/04/808807104.db2.gz MCYDWPXAMVJZHT-KRWDZBQOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCN1CC[C@@]2(CC[N@H+](C[C@H](CC)CCCC)C2)C1=O ZINC001272429564 808808295 /nfs/dbraw/zinc/80/82/95/808808295.db2.gz LJLHMSJXCHJSAN-SJLPKXTDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCCCCC[N@H+]1CC[C@]2(CCN(CC=C)C2=O)C1 ZINC001272702036 808821866 /nfs/dbraw/zinc/82/18/66/808821866.db2.gz NSPYFCKRDKUOIM-SFHVURJKSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@]2(CCN(CC(=C)C)C2=O)C1 ZINC001272699941 808822095 /nfs/dbraw/zinc/82/20/95/808822095.db2.gz QIHCWPFXWCYYDO-SFHVURJKSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2c(C)cccc2C)C1=O ZINC001273266444 808838389 /nfs/dbraw/zinc/83/83/89/808838389.db2.gz YBLDSKJVXSHNLX-IBGZPJMESA-N 1 1 298.430 3.056 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C(C)C)CC1 ZINC001273419833 808844085 /nfs/dbraw/zinc/84/40/85/808844085.db2.gz XZZYXGOUPIZMBL-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@]12CC(=O)N(CCCC)C2 ZINC001273486105 808848499 /nfs/dbraw/zinc/84/84/99/808848499.db2.gz CCUPQFWXIXLGJR-QGZVFWFLSA-N 1 1 278.440 3.210 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)c1ccccc1CC ZINC001273554019 808854260 /nfs/dbraw/zinc/85/42/60/808854260.db2.gz LVKRSRUZWNWONL-UHFFFAOYSA-N 1 1 288.435 3.219 20 30 CGEDMO C=CCC1(C(=O)N(C)CCC[N@@H+](C)CC(=C)C)CCCC1 ZINC001273599217 808856563 /nfs/dbraw/zinc/85/65/63/808856563.db2.gz OVPUGQOKWRGZMS-UHFFFAOYSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2cccc(CC)c2)C1=O ZINC001273651683 808857774 /nfs/dbraw/zinc/85/77/74/808857774.db2.gz PYQCXOAHOLLVLK-IBGZPJMESA-N 1 1 298.430 3.002 20 30 CGEDMO C#CCCCCCC(=O)N[C@H]1CC[N@H+](CCC)CC1(C)C ZINC001274445769 808876565 /nfs/dbraw/zinc/87/65/65/808876565.db2.gz JMLRDSWTUWXSRI-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CC(C)(C)C2CC2)C[C@H]1C ZINC001274623350 808879700 /nfs/dbraw/zinc/87/97/00/808879700.db2.gz LFDVMQPFNXOMIS-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](CC)CCCC ZINC001275086544 808905681 /nfs/dbraw/zinc/90/56/81/808905681.db2.gz DCDRYRIYPIRARA-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@H]1C[N@H+](C)CC(=C)C ZINC001275115994 808911692 /nfs/dbraw/zinc/91/16/92/808911692.db2.gz SRFVDJPLERSPAA-HNNXBMFYSA-N 1 1 278.440 3.088 20 30 CGEDMO CCCCCCCCCN1CC2(C1)CC[N@@H+](C)C2 ZINC001275132638 808914049 /nfs/dbraw/zinc/91/40/49/808914049.db2.gz ZVECKPCMAZYEJX-UHFFFAOYSA-N 1 1 252.446 3.375 20 30 CGEDMO CCCCCCCCC[NH+]1CC2(C1)CCN(C)C2 ZINC001275132638 808914055 /nfs/dbraw/zinc/91/40/55/808914055.db2.gz ZVECKPCMAZYEJX-UHFFFAOYSA-N 1 1 252.446 3.375 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccc(C2CC2)cc1 ZINC001275166997 808918267 /nfs/dbraw/zinc/91/82/67/808918267.db2.gz KJFVOBRPMUKVJU-SFHVURJKSA-N 1 1 298.430 3.286 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC001275628956 808953361 /nfs/dbraw/zinc/95/33/61/808953361.db2.gz IHXWZTIJZPBDJF-CVEARBPZSA-N 1 1 288.435 3.225 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)C[C@@H](C)CC(C)(C)C ZINC001275657101 808955659 /nfs/dbraw/zinc/95/56/59/808955659.db2.gz ATWUBVBGRAMLEC-CABCVRRESA-N 1 1 282.472 3.461 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)C[C@@H]1C=CCCC1 ZINC001275858277 808971323 /nfs/dbraw/zinc/97/13/23/808971323.db2.gz HYUIOVGPAVDISW-HZPDHXFCSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)CNC(=O)c1occc1-c1ccccc1 ZINC001275872848 808972606 /nfs/dbraw/zinc/97/26/06/808972606.db2.gz GFCXDBRLLVLHLL-CQSZACIVSA-N 1 1 298.386 3.183 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)c1cc(C)cc(C)c1 ZINC001275985901 808982229 /nfs/dbraw/zinc/98/22/29/808982229.db2.gz GSXLZQOBHLYGBL-MRXNPFEDSA-N 1 1 288.435 3.320 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)CCC1CC1 ZINC001276290846 808999695 /nfs/dbraw/zinc/99/96/95/808999695.db2.gz SVNUGUGKOMBNQM-OAHLLOKOSA-N 1 1 298.858 3.290 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)CCC1CC1 ZINC001276290846 808999704 /nfs/dbraw/zinc/99/97/04/808999704.db2.gz SVNUGUGKOMBNQM-OAHLLOKOSA-N 1 1 298.858 3.290 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)/C=C\C(C)(C)C)C(C)(C)C1 ZINC001276569582 809016181 /nfs/dbraw/zinc/01/61/81/809016181.db2.gz ILBDHMLOEKYUMT-WKTRQSJXSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]1CNC(=O)C1(C2CCC2)CCC1 ZINC001276891768 809042587 /nfs/dbraw/zinc/04/25/87/809042587.db2.gz MGJRBOZNZDPFJY-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)C1CCCCC1 ZINC001276941805 809047309 /nfs/dbraw/zinc/04/73/09/809047309.db2.gz QPHFJDDGHGZBJF-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC(=O)N1CCC([N@H+](C)CCCC(C)C)CC1 ZINC001277385050 809072252 /nfs/dbraw/zinc/07/22/52/809072252.db2.gz ITVGREGYHPWAJF-UHFFFAOYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C/C=C(/C)C=C)[C@@H]1C ZINC001278516041 809139426 /nfs/dbraw/zinc/13/94/26/809139426.db2.gz NHWWAGPDNWWUHT-CSKNQWHZSA-N 1 1 276.424 3.054 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CCC[N@@H+](CC=C(C)C)[C@H]1C ZINC001278521258 809140604 /nfs/dbraw/zinc/14/06/04/809140604.db2.gz MQJWOBPUZQOFCR-JKSUJKDBSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCCCC(=O)NC[C@]1(C)CCC[N@@H+](CC2CCC2)C1 ZINC001278678129 809151772 /nfs/dbraw/zinc/15/17/72/809151772.db2.gz OFXLHFZWAXLIGN-SFHVURJKSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC ZINC001279529963 809173039 /nfs/dbraw/zinc/17/30/39/809173039.db2.gz RPFAJYQPQNTOCG-HZPDHXFCSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H](C3CCCCC3)C2)C1=O ZINC001174863737 809181648 /nfs/dbraw/zinc/18/16/48/809181648.db2.gz TWUSDUVXRMAKAH-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC(C)(C)CC(=O)NCc1ccccc1C[N@H+](C)CC ZINC001280324446 809183982 /nfs/dbraw/zinc/18/39/82/809183982.db2.gz HYUOIIPXGZNMOD-UHFFFAOYSA-N 1 1 288.435 3.357 20 30 CGEDMO C=CC[N@H+](C)Cc1ccccc1CNC(=O)C(CC)CC ZINC001280315443 809184202 /nfs/dbraw/zinc/18/42/02/809184202.db2.gz PJLZOWZFCFXCDH-UHFFFAOYSA-N 1 1 288.435 3.357 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC1(C)C ZINC001280802084 809200568 /nfs/dbraw/zinc/20/05/68/809200568.db2.gz DHSXIOIPCWAUBX-CABCVRRESA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)c1ccc(F)c(C)c1 ZINC001280851129 809201931 /nfs/dbraw/zinc/20/19/31/809201931.db2.gz YTKLZSWNRWWRKJ-UHFFFAOYSA-N 1 1 292.398 3.104 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CC)C2 ZINC001281069326 809206421 /nfs/dbraw/zinc/20/64/21/809206421.db2.gz AABVGHLUADETOV-NVXWUHKLSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC(=O)NCc1ccc2c(c1)C[N@H+](CC1CCC1)C2 ZINC001281285383 809207779 /nfs/dbraw/zinc/20/77/79/809207779.db2.gz YGSWRGIAPQQTLH-UHFFFAOYSA-N 1 1 298.430 3.385 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)CCC1CCC1 ZINC001281927729 809223141 /nfs/dbraw/zinc/22/31/41/809223141.db2.gz CIAKLWHVDKGBPM-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)C(CCC)CCC ZINC001281956350 809224659 /nfs/dbraw/zinc/22/46/59/809224659.db2.gz CLNRUKVSGPQKNV-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC1(C)C ZINC001282448816 809248754 /nfs/dbraw/zinc/24/87/54/809248754.db2.gz DHUPPLZLFGOTOX-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C)C1CC1 ZINC001282660700 809258355 /nfs/dbraw/zinc/25/83/55/809258355.db2.gz CHNIZXROSNJKMT-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@]1(C)CC=CCC1 ZINC001282666164 809258605 /nfs/dbraw/zinc/25/86/05/809258605.db2.gz JIWFZOWVQAIJBB-SJLPKXTDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](F)C(C)C ZINC001282677227 809259152 /nfs/dbraw/zinc/25/91/52/809259152.db2.gz YYIKWIZQFMFNTA-JKSUJKDBSA-N 1 1 298.446 3.308 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](CC2CCC2)CC1(C)C ZINC001282824871 809265380 /nfs/dbraw/zinc/26/53/80/809265380.db2.gz VWDMNUFTHCXUPY-GOEBONIOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC([N@@H+](C)C/C=C/Cl)CC1 ZINC001283310359 809275126 /nfs/dbraw/zinc/27/51/26/809275126.db2.gz KUESDYMKIHBHHQ-RMKNXTFCSA-N 1 1 298.858 3.264 20 30 CGEDMO C=C(C)CC[N@H+](C)C1CCN(C(=O)/C=C(/C)CC)CC1 ZINC001283307672 809275735 /nfs/dbraw/zinc/27/57/35/809275735.db2.gz QXTWJZCWNDRDMC-SQFISAMPSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C(C)CC[N@H+](C)C1CCN(C(=O)C(C)=C2CCC2)CC1 ZINC001283308081 809275825 /nfs/dbraw/zinc/27/58/25/809275825.db2.gz YPTYZSNZPRVPLA-UHFFFAOYSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)/C=C(/C)C3CC3)CCC[C@H]12 ZINC001284045660 809293362 /nfs/dbraw/zinc/29/33/62/809293362.db2.gz PDTIFBAWOGJPLC-JDJTUSOHSA-N 1 1 288.435 3.032 20 30 CGEDMO C=CCCC[N@H+]1CC[C@]2(NC(=O)CCCC)CCC[C@H]12 ZINC001284032113 809293655 /nfs/dbraw/zinc/29/36/55/809293655.db2.gz SZXQVGWMQOOPBH-DOTOQJQBSA-N 1 1 278.440 3.256 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)/C=C(/C)C2CC2)[C@H]1C ZINC001284121021 809296801 /nfs/dbraw/zinc/29/68/01/809296801.db2.gz OSDVZKZTOKAPJZ-YTFDHPGHSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)/C=C(/C)C1CC1)C(C)C ZINC001284528936 809306416 /nfs/dbraw/zinc/30/64/16/809306416.db2.gz CQNDDPZZUBMXSM-SQFISAMPSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCCCCN(C)C(=O)[C@@H]1CC[C@H]2C[C@H](C)C[N@@H+]2C1 ZINC001293771686 809453924 /nfs/dbraw/zinc/45/39/24/809453924.db2.gz XGUJMIIYNZDWJB-BBWFWOEESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC1(CNC(=O)[C@H]2CCC[N@H+](C(C)C)C2)CCCC1 ZINC001297804528 809522435 /nfs/dbraw/zinc/52/24/35/809522435.db2.gz SHFHEGKMIGQKBN-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CC[N@H+](CCOCC(F)F)[C@@H]1CCCc2ccccc21 ZINC001176453000 809700476 /nfs/dbraw/zinc/70/04/76/809700476.db2.gz OXFJSHCPRXNWFX-MRXNPFEDSA-N 1 1 293.357 3.281 20 30 CGEDMO N#Cc1cc(Nc2c[nH+]c3ccccn23)ccc1F ZINC001176613685 809730651 /nfs/dbraw/zinc/73/06/51/809730651.db2.gz DSQMYOCJACZXLD-UHFFFAOYSA-N 1 1 252.252 3.089 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1C[C@@H](O)CC1CCCC1 ZINC001176771662 809759605 /nfs/dbraw/zinc/75/96/05/809759605.db2.gz QKYITMAXRZQLHA-HOTGVXAUSA-N 1 1 251.414 3.358 20 30 CGEDMO C=CCCC[N@H+](CC)CC(=O)N(CC(F)(F)F)C(C)C ZINC001176797853 809761681 /nfs/dbraw/zinc/76/16/81/809761681.db2.gz GCRWODFEDAHRHY-UHFFFAOYSA-N 1 1 294.361 3.074 20 30 CGEDMO C=CC[C@H](C(=O)NCc1[nH]c(C)[nH+]c1C)c1ccccc1 ZINC001178441712 809866394 /nfs/dbraw/zinc/86/63/94/809866394.db2.gz RJXMJRQZXFSTMV-HNNXBMFYSA-N 1 1 283.375 3.003 20 30 CGEDMO CN(C)c1ccc(C#N)cc1C[N@@H+](C)CCc1cccs1 ZINC001179881365 809954724 /nfs/dbraw/zinc/95/47/24/809954724.db2.gz BYCHVVYWHMCVPR-UHFFFAOYSA-N 1 1 299.443 3.360 20 30 CGEDMO C=CCC[C@H]([NH2+][C@@H]1CC(C)(C)C[C@@H]1C)C(=O)OCC ZINC001181826911 810074802 /nfs/dbraw/zinc/07/48/02/810074802.db2.gz HZFXOHDKZTWOFP-MELADBBJSA-N 1 1 267.413 3.299 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](C[C@H]2CCc3ccccc32)C1 ZINC001182546015 810114344 /nfs/dbraw/zinc/11/43/44/810114344.db2.gz YTWIVWKDTQPCRU-NVXWUHKLSA-N 1 1 253.389 3.452 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)/C(C)=C\C)[C@@H]2C1 ZINC001187480541 810401650 /nfs/dbraw/zinc/40/16/50/810401650.db2.gz YLLXNMDRHOPWJE-XIENNYHASA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)CCCC)C1 ZINC001188936080 810524353 /nfs/dbraw/zinc/52/43/53/810524353.db2.gz YNBCIQMJRCPIGW-CABCVRRESA-N 1 1 266.429 3.064 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)c2coc(C)c2)C1 ZINC001189816992 810591370 /nfs/dbraw/zinc/59/13/70/810591370.db2.gz CIMCLDMIQBHGJF-XJKSGUPXSA-N 1 1 290.407 3.089 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](CC)C(C)C)[C@@H]2C1 ZINC001189879374 810592578 /nfs/dbraw/zinc/59/25/78/810592578.db2.gz BONVFIINIFVMPK-YESZJQIVSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)CCCC)C1 ZINC001189942850 810596243 /nfs/dbraw/zinc/59/62/43/810596243.db2.gz ASNQGGGCAXOGAV-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO CC(C)CCC[N@@H+](C)[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190076917 810606605 /nfs/dbraw/zinc/60/66/05/810606605.db2.gz WYOWZJFKOVALRN-MRXNPFEDSA-N 1 1 292.467 3.005 20 30 CGEDMO CCC(CC)C[N@@H+](C)[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190083949 810607036 /nfs/dbraw/zinc/60/70/36/810607036.db2.gz HXFFWXXWRRNYOP-MRXNPFEDSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)CC(C)(C)CC)C1 ZINC001190344074 810622368 /nfs/dbraw/zinc/62/23/68/810622368.db2.gz DIKYKOZVJBTYAG-CYBMUJFWSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)CC(C)(C)CC)C1 ZINC001190344074 810622375 /nfs/dbraw/zinc/62/23/75/810622375.db2.gz DIKYKOZVJBTYAG-CYBMUJFWSA-N 1 1 286.847 3.098 20 30 CGEDMO CC#CC[N@H+](C)[C@H]1CCN(C(=O)CCCC[C@H](C)CC)C1 ZINC001190361625 810623312 /nfs/dbraw/zinc/62/33/12/810623312.db2.gz FWGPDASSPZQDMG-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@@H]([N@H+](C)CCCCC)C1 ZINC001190391205 810626078 /nfs/dbraw/zinc/62/60/78/810626078.db2.gz XSNVPAJZZNMGFV-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]([N@@H+](C)CCCCCF)C1 ZINC001190429226 810628373 /nfs/dbraw/zinc/62/83/73/810628373.db2.gz XQWNRJILXPKYQG-HNNXBMFYSA-N 1 1 284.419 3.015 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]([N@H+](C)CC(CC)CC)C1 ZINC001190435409 810628451 /nfs/dbraw/zinc/62/84/51/810628451.db2.gz FJFUMVULHUMZBG-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)CC2(C)CCCCC2)C1 ZINC001191275529 810696547 /nfs/dbraw/zinc/69/65/47/810696547.db2.gz RUDQALWGXPEQLM-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)C(=C)C)C1 ZINC001191684963 810730013 /nfs/dbraw/zinc/73/00/13/810730013.db2.gz WLQKMVXUGDDMCW-CVEARBPZSA-N 1 1 292.467 3.476 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@@H]([N@H+](C)CCCCCC)C1 ZINC001191727134 810733010 /nfs/dbraw/zinc/73/30/10/810733010.db2.gz GQNHBDTYETWMDW-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)CC(C)=C(C)C)C1 ZINC001191810419 810744997 /nfs/dbraw/zinc/74/49/97/810744997.db2.gz XVZHAKLBKUEDQD-INIZCTEOSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C2(CC)CCC2)C1 ZINC001191818422 810745641 /nfs/dbraw/zinc/74/56/41/810745641.db2.gz FDZPFZYHEADKMJ-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)CCCC#CC)C1 ZINC001191858930 810752537 /nfs/dbraw/zinc/75/25/37/810752537.db2.gz FOPIVQYTVIYSRX-SJORKVTESA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)C2CC2)C1 ZINC001191868354 810755058 /nfs/dbraw/zinc/75/50/58/810755058.db2.gz SABKMMQEKPRLPP-HOCLYGCPSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)CC)C1 ZINC001192048271 810767001 /nfs/dbraw/zinc/76/70/01/810767001.db2.gz YDRKBVUHYTWSCI-CABCVRRESA-N 1 1 280.456 3.310 20 30 CGEDMO C=C1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CC=C(C)C)C2)CC1 ZINC001192180829 810773410 /nfs/dbraw/zinc/77/34/10/810773410.db2.gz NEQFKTJSVFXGHT-QGZVFWFLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@H]([N@H+](C)CC/C=C/CC)C1 ZINC001192586376 810808932 /nfs/dbraw/zinc/80/89/32/810808932.db2.gz NPPPMFUTOAPCQQ-FDMDGMSGSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](CCC)C(C)C)C1 ZINC001192610157 810810389 /nfs/dbraw/zinc/81/03/89/810810389.db2.gz AITJWLXOBMWIEJ-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)CC(C)C)C1 ZINC001193100088 810856528 /nfs/dbraw/zinc/85/65/28/810856528.db2.gz SWJYNCOWIYCPHN-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](F)CCCCCC)C1 ZINC001193478424 810893879 /nfs/dbraw/zinc/89/38/79/810893879.db2.gz MHANCEDVFGMIBZ-CVEARBPZSA-N 1 1 298.446 3.404 20 30 CGEDMO CCCCCCCC[N@H+]1CCN(CC)C(=O)[C@H]1CC ZINC001193626888 810921230 /nfs/dbraw/zinc/92/12/30/810921230.db2.gz REHZZMGQDHGLHE-OAHLLOKOSA-N 1 1 268.445 3.290 20 30 CGEDMO CCCCCCCCC(=O)N1CC[C@H]([N@H+](C)CCF)C1 ZINC001193630447 810923430 /nfs/dbraw/zinc/92/34/30/810923430.db2.gz KJHWVAQNQOZFRE-HNNXBMFYSA-N 1 1 286.435 3.239 20 30 CGEDMO CCCCCCCCC(=O)N1CC[C@H]([N@@H+](C)CCF)C1 ZINC001193630447 810923432 /nfs/dbraw/zinc/92/34/32/810923432.db2.gz KJHWVAQNQOZFRE-HNNXBMFYSA-N 1 1 286.435 3.239 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)c2cccc(Cl)c2)C1 ZINC001193652410 810928892 /nfs/dbraw/zinc/92/88/92/810928892.db2.gz UCXKIWHMHUWTEM-OAHLLOKOSA-N 1 1 292.810 3.062 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)CCCCCC)C1 ZINC001193847330 810967616 /nfs/dbraw/zinc/96/76/16/810967616.db2.gz XWLIRGFEGCDNTH-HNNXBMFYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)C[C@@H](OC)C1CCCCC1 ZINC001193913574 810979044 /nfs/dbraw/zinc/97/90/44/810979044.db2.gz MBLXSXYYJSPCQY-QGZVFWFLSA-N 1 1 282.472 3.021 20 30 CGEDMO C=CC[N@@H+](CCOC)CC[C@H]1CCc2ccccc21 ZINC001193990794 810996319 /nfs/dbraw/zinc/99/63/19/810996319.db2.gz QKWOCJBPCKVDQK-MRXNPFEDSA-N 1 1 259.393 3.241 20 30 CGEDMO CCCCCCCCOC(=O)N1CC[NH+](C2CC2)CC1 ZINC001194730453 811118044 /nfs/dbraw/zinc/11/80/44/811118044.db2.gz MRLPHNWRBNBOLW-UHFFFAOYSA-N 1 1 282.428 3.264 20 30 CGEDMO C=CCCC(=O)N1CCC[N@@H+](CCCC2CCCC2)CC1 ZINC001195191240 811224682 /nfs/dbraw/zinc/22/46/82/811224682.db2.gz FOMFAPDSIBJPHI-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCCC(=O)N1CCC[N@@H+](CCC2CCCC2)CC1 ZINC001195231972 811228917 /nfs/dbraw/zinc/22/89/17/811228917.db2.gz FYPYUOSJHDDUFV-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@H](CC)SC)CC1 ZINC001195488644 811260651 /nfs/dbraw/zinc/26/06/51/811260651.db2.gz SRSVYIPJRAOPBB-GJZGRUSLSA-N 1 1 298.496 3.017 20 30 CGEDMO CC[C@H]1C[N@@H+](Cc2c(C)cc(C#N)cc2C)[C@H](C)CO1 ZINC001195749286 811286953 /nfs/dbraw/zinc/28/69/53/811286953.db2.gz RWYRIQZPPNVALT-ZBFHGGJFSA-N 1 1 272.392 3.174 20 30 CGEDMO C/C=C/C[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001196615543 811355087 /nfs/dbraw/zinc/35/50/87/811355087.db2.gz XECDJDAJFQTZLJ-YPXCQQABSA-N 1 1 284.403 3.270 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[N@@H+](CCCCCF)CC1 ZINC001196724244 811358940 /nfs/dbraw/zinc/35/89/40/811358940.db2.gz DMSZGFHWWYUEHB-UHFFFAOYSA-N 1 1 298.446 3.263 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C2(CC)CCC2)CC1 ZINC001196832526 811372589 /nfs/dbraw/zinc/37/25/89/811372589.db2.gz XKCRXWVAQGXLCF-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CCC[N@H+](CC/C=C\CC)CC1 ZINC001196880506 811375428 /nfs/dbraw/zinc/37/54/28/811375428.db2.gz LFLGXGKRJOKFPM-TUYSUELWSA-N 1 1 292.467 3.479 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[N@H+](C[C@H](C)CC)CC1 ZINC001196889322 811377685 /nfs/dbraw/zinc/37/76/85/811377685.db2.gz BTVWOMAWQSUICC-HZPDHXFCSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)C[C@H](C=C)CC)CC1 ZINC001196895779 811379669 /nfs/dbraw/zinc/37/96/69/811379669.db2.gz QCOUNUIUARNGBG-MRXNPFEDSA-N 1 1 278.440 3.089 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC[N@@H+](CC2CC(C)C2)CC1 ZINC001196894727 811379862 /nfs/dbraw/zinc/37/98/62/811379862.db2.gz CBQHEFQOPCYXBH-CGZBRXJRSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@](C)(C=C)CC)CC1 ZINC001197038681 811390794 /nfs/dbraw/zinc/39/07/94/811390794.db2.gz YVXCAUHLHIRXKN-QGZVFWFLSA-N 1 1 278.440 3.089 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)C2(CCC)CC2)CC1 ZINC001197110182 811400446 /nfs/dbraw/zinc/40/04/46/811400446.db2.gz ABQDSRSEHIMATB-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC001197176894 811403453 /nfs/dbraw/zinc/40/34/53/811403453.db2.gz GBNSLCOIKCZYFT-JYJNAYRXSA-N 1 1 251.414 3.358 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[N@@H+](CC2CCCC2)CC1 ZINC001197278437 811410696 /nfs/dbraw/zinc/41/06/96/811410696.db2.gz UAJSNFZWRTUVPH-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C#CC[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C ZINC001197930718 811465111 /nfs/dbraw/zinc/46/51/11/811465111.db2.gz SCUFYUZGHMHGJQ-UHFFFAOYSA-N 1 1 280.755 3.482 20 30 CGEDMO C#CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C ZINC001197930718 811465116 /nfs/dbraw/zinc/46/51/16/811465116.db2.gz SCUFYUZGHMHGJQ-UHFFFAOYSA-N 1 1 280.755 3.482 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCOC[C@@H]1CC1CC1 ZINC001198052634 811475153 /nfs/dbraw/zinc/47/51/53/811475153.db2.gz VGRMZIMUUOUGSZ-KRWDZBQOSA-N 1 1 284.403 3.176 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1CCCS(=O)(=O)C(C)(C)C ZINC001198414296 811499029 /nfs/dbraw/zinc/49/90/29/811499029.db2.gz LGDOYYXJWGZYDJ-CQSZACIVSA-N 1 1 287.469 3.020 20 30 CGEDMO C=CCCC[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(OC)cc1 ZINC001198457635 811505924 /nfs/dbraw/zinc/50/59/24/811505924.db2.gz GANRPZRAPJLLKI-AWEZNQCLSA-N 1 1 290.407 3.310 20 30 CGEDMO C#C[C@@H]1CCCC[N@H+]1Cc1cc(-c2ccc(F)cc2)no1 ZINC001198527212 811512650 /nfs/dbraw/zinc/51/26/50/811512650.db2.gz ZGTVRUNICDSIAJ-OAHLLOKOSA-N 1 1 284.334 3.468 20 30 CGEDMO C#C[C@@H]1CCCC[N@@H+]1Cc1cc(-c2ccc(F)cc2)no1 ZINC001198527212 811512655 /nfs/dbraw/zinc/51/26/55/811512655.db2.gz ZGTVRUNICDSIAJ-OAHLLOKOSA-N 1 1 284.334 3.468 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@]23CCOC3)c(Cl)c1 ZINC001198768347 811541670 /nfs/dbraw/zinc/54/16/70/811541670.db2.gz GYCBBTHAMVNEDZ-MRXNPFEDSA-N 1 1 290.794 3.357 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCC[C@]23CCOC3)c(Cl)c1 ZINC001198768347 811541676 /nfs/dbraw/zinc/54/16/76/811541676.db2.gz GYCBBTHAMVNEDZ-MRXNPFEDSA-N 1 1 290.794 3.357 20 30 CGEDMO C[C@@H](C#N)c1ccc(NC(=O)c2c[nH+]ccc2N(C)C)cc1 ZINC001199349070 811573203 /nfs/dbraw/zinc/57/32/03/811573203.db2.gz AGOHBFGJAUNRIG-LBPRGKRZSA-N 1 1 294.358 3.027 20 30 CGEDMO CCn1cnc(Cl)c1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC001199823432 811600438 /nfs/dbraw/zinc/60/04/38/811600438.db2.gz RIUINZKFCBONGT-NSHDSACASA-N 1 1 288.782 3.279 20 30 CGEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](C[C@H]1CC=CCC1)C2 ZINC001201415484 811835361 /nfs/dbraw/zinc/83/53/61/811835361.db2.gz CKHNGYMBUSHVSF-BZSNNMDCSA-N 1 1 291.435 3.169 20 30 CGEDMO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](CC(C)(C)C)C2 ZINC001201434405 811844781 /nfs/dbraw/zinc/84/47/81/811844781.db2.gz JHCLNAZFUSZASP-WBVHZDCISA-N 1 1 281.440 3.106 20 30 CGEDMO CC(C)C[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001201482035 811858429 /nfs/dbraw/zinc/85/84/29/811858429.db2.gz BVPJSXLDYBEUPO-INIZCTEOSA-N 1 1 258.365 3.057 20 30 CGEDMO CC(C)C[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001201482036 811858716 /nfs/dbraw/zinc/85/87/16/811858716.db2.gz BVPJSXLDYBEUPO-MRXNPFEDSA-N 1 1 258.365 3.057 20 30 CGEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](C[C@@H](C)CCC)C2 ZINC001201542187 811892931 /nfs/dbraw/zinc/89/29/31/811892931.db2.gz ILJGSTSXNKTDIZ-RCCFBDPRSA-N 1 1 295.467 3.496 20 30 CGEDMO N#Cc1ccccc1OC1C[NH+](CCCc2ccccc2)C1 ZINC001201681710 811936020 /nfs/dbraw/zinc/93/60/20/811936020.db2.gz CWCRIKTWZDXSKW-UHFFFAOYSA-N 1 1 292.382 3.254 20 30 CGEDMO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](CCCCC)C2)C1 ZINC001201725922 811948691 /nfs/dbraw/zinc/94/86/91/811948691.db2.gz WEBOMMOARLJMOP-KRWDZBQOSA-N 1 1 294.439 3.287 20 30 CGEDMO C=CCN1CC[C@@]2(CCC[N@H+](CCCCCC)C2)C1=O ZINC001201747033 811956288 /nfs/dbraw/zinc/95/62/88/811956288.db2.gz SGOOBOAUYBUOJR-QGZVFWFLSA-N 1 1 278.440 3.067 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@]2(CCC(=O)O2)C1 ZINC001201798042 811966652 /nfs/dbraw/zinc/96/66/52/811966652.db2.gz MMYWBKAKUBLPBW-HNNXBMFYSA-N 1 1 253.386 3.128 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@](C)(C(=O)OC)C1 ZINC001201840319 811969045 /nfs/dbraw/zinc/96/90/45/811969045.db2.gz SZEZGTDZUFFEED-HNNXBMFYSA-N 1 1 255.402 3.232 20 30 CGEDMO CCCCCCCCCC[N@H+]1CCCO[C@H](C(=O)OC)C1 ZINC001201875400 811973513 /nfs/dbraw/zinc/97/35/13/811973513.db2.gz YGWJHYPJZLZDNT-INIZCTEOSA-N 1 1 299.455 3.391 20 30 CGEDMO CCCCCCCCCC[N@H+]1CC[C@H](NC(C)=O)C1 ZINC001201874787 811974289 /nfs/dbraw/zinc/97/42/89/811974289.db2.gz GHTRGZIFPQLMFI-INIZCTEOSA-N 1 1 268.445 3.338 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](F)C(F)(F)CC2)c1 ZINC001203755935 812454903 /nfs/dbraw/zinc/45/49/03/812454903.db2.gz YLEXGDHIOHZOMA-ZDUSSCGKSA-N 1 1 268.282 3.127 20 30 CGEDMO N#Cc1cccc(C[N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)c1 ZINC001203757750 812455943 /nfs/dbraw/zinc/45/59/43/812455943.db2.gz SBRQUSWZORJTBX-OKILXGFUSA-N 1 1 262.303 3.035 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCC[C@H]1Cc1ccccn1 ZINC001204370374 812622367 /nfs/dbraw/zinc/62/23/67/812622367.db2.gz ZMMYOJOOKPBJIX-SFHVURJKSA-N 1 1 277.371 3.160 20 30 CGEDMO C#CC[N@H+](Cc1ccc(F)cc1)Cc1cc(C)nc(C)c1 ZINC001204488288 812656134 /nfs/dbraw/zinc/65/61/34/812656134.db2.gz KUXLKBMNADKHBV-UHFFFAOYSA-N 1 1 282.362 3.473 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cc(C)nc(C)c1 ZINC001204488288 812656138 /nfs/dbraw/zinc/65/61/38/812656138.db2.gz KUXLKBMNADKHBV-UHFFFAOYSA-N 1 1 282.362 3.473 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)ccc1F ZINC001205459206 812986129 /nfs/dbraw/zinc/98/61/29/812986129.db2.gz HILQBVJVDZNPPP-ZIAGYGMSSA-N 1 1 258.340 3.319 20 30 CGEDMO COC(C)(C)[C@H]1CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001205493778 812991120 /nfs/dbraw/zinc/99/11/20/812991120.db2.gz PSFRLCWXRFFVRY-OAHLLOKOSA-N 1 1 276.355 3.087 20 30 CGEDMO C=CC[C@H]([NH2+][C@H](CC)C[C@H](C)CC)C(=O)OCC ZINC001205659050 813043624 /nfs/dbraw/zinc/04/36/24/813043624.db2.gz ASKYXQRGJPWDAE-MCIONIFRSA-N 1 1 255.402 3.299 20 30 CGEDMO CCN(CCC[NH+]1CCCC1)Cc1c(C)cc(C#N)cc1C ZINC001205692091 813053557 /nfs/dbraw/zinc/05/35/57/813053557.db2.gz CGSNPAWJVKTLHJ-UHFFFAOYSA-N 1 1 299.462 3.483 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CCCCC2)C1 ZINC001205766241 813070515 /nfs/dbraw/zinc/07/05/15/813070515.db2.gz IUMPGDWZZLCYSM-BFYDXBDKSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H](C)CC[C@H]2CN)CC1 ZINC001205803349 813084619 /nfs/dbraw/zinc/08/46/19/813084619.db2.gz GKACAWKWWQHQQQ-UAGQMJEPSA-N 1 1 262.441 3.348 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@@H](C)CC[C@H]2CN)CC1 ZINC001205803349 813084624 /nfs/dbraw/zinc/08/46/24/813084624.db2.gz GKACAWKWWQHQQQ-UAGQMJEPSA-N 1 1 262.441 3.348 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1OCCCC)C1CC1 ZINC001205881086 813117435 /nfs/dbraw/zinc/11/74/35/813117435.db2.gz BJLVYENTZGDCOL-UHFFFAOYSA-N 1 1 257.377 3.463 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1OCCCC)C1CC1 ZINC001205881086 813117439 /nfs/dbraw/zinc/11/74/39/813117439.db2.gz BJLVYENTZGDCOL-UHFFFAOYSA-N 1 1 257.377 3.463 20 30 CGEDMO C[C@@H]1CN(Cc2cccc(Cl)c2C#N)CCC[C@@H]1C[NH3+] ZINC001206003205 813160661 /nfs/dbraw/zinc/16/06/61/813160661.db2.gz FUTQBVQDAXYTNY-CHWSQXEVSA-N 1 1 291.826 3.018 20 30 CGEDMO C[C@@H]1CN(Cc2c(Cl)cccc2C#N)CCC[C@H]1C[NH3+] ZINC001206012046 813164923 /nfs/dbraw/zinc/16/49/23/813164923.db2.gz IDVYPEABWVYPNV-OLZOCXBDSA-N 1 1 291.826 3.018 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(CC)CC)C1 ZINC001206123395 813207081 /nfs/dbraw/zinc/20/70/81/813207081.db2.gz WBHUYIVSAPGQSI-IJEWVQPXSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCCCCCCC[N@H+]1CC[C@@H](F)[C@@H](N)CC1 ZINC001206156249 813216191 /nfs/dbraw/zinc/21/61/91/813216191.db2.gz PJUSLFTVJOETJR-CABCVRRESA-N 1 1 256.409 3.274 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCCC[C@](F)(CN)C2)CC1 ZINC001206338322 813293928 /nfs/dbraw/zinc/29/39/28/813293928.db2.gz ZPKYOOBUNUNIFF-SJORKVTESA-N 1 1 280.431 3.442 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCCC[C@](F)(CN)C2)CC1 ZINC001206338322 813293933 /nfs/dbraw/zinc/29/39/33/813293933.db2.gz ZPKYOOBUNUNIFF-SJORKVTESA-N 1 1 280.431 3.442 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)Cc1ccncc1OC ZINC001206480133 813331602 /nfs/dbraw/zinc/33/16/02/813331602.db2.gz KVQVLJNDVPNDBM-UHFFFAOYSA-N 1 1 268.360 3.278 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccncc1OC ZINC001206480133 813331608 /nfs/dbraw/zinc/33/16/08/813331608.db2.gz KVQVLJNDVPNDBM-UHFFFAOYSA-N 1 1 268.360 3.278 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)/C=C\C(C)(C)C)C1 ZINC001206651188 813389582 /nfs/dbraw/zinc/38/95/82/813389582.db2.gz KXIXHTJQRPXCBY-MUJQOVCQSA-N 1 1 292.467 3.380 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001206766875 813429384 /nfs/dbraw/zinc/42/93/84/813429384.db2.gz QTBGOHRWADJNAQ-ZIAGYGMSSA-N 1 1 292.467 3.071 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccc(OC)cc3)on2)C1 ZINC001206830307 813446430 /nfs/dbraw/zinc/44/64/30/813446430.db2.gz XAEOPJOKDLCNOT-CQSZACIVSA-N 1 1 296.370 3.195 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(-c3ccc(OC)cc3)on2)C1 ZINC001206830307 813446437 /nfs/dbraw/zinc/44/64/37/813446437.db2.gz XAEOPJOKDLCNOT-CQSZACIVSA-N 1 1 296.370 3.195 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccsc2C)C1 ZINC001206934734 813459100 /nfs/dbraw/zinc/45/91/00/813459100.db2.gz AYYLJTZUCXZZPA-IUODEOHRSA-N 1 1 292.448 3.073 20 30 CGEDMO N#C[C@H]1CC[N@H+](C[C@H]2C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001207192163 813512047 /nfs/dbraw/zinc/51/20/47/813512047.db2.gz PDWFQJUADPNVLD-UXIGCNINSA-N 1 1 260.768 3.289 20 30 CGEDMO C=CCN(CC[N@H+]1CCCCC12CC2)C(=O)OC(C)(C)C ZINC001207204035 813515127 /nfs/dbraw/zinc/51/51/27/813515127.db2.gz ZMAXUHXZWKCNME-UHFFFAOYSA-N 1 1 294.439 3.428 20 30 CGEDMO C=C(C)C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1C)C(=O)OCC ZINC001207333615 813542360 /nfs/dbraw/zinc/54/23/60/813542360.db2.gz HBYVEXBBQCRHRK-ILXRZTDVSA-N 1 1 267.413 3.300 20 30 CGEDMO C=C(C)C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1C)C(=O)OCC ZINC001207333662 813542512 /nfs/dbraw/zinc/54/25/12/813542512.db2.gz HBYVEXBBQCRHRK-KKUMJFAQSA-N 1 1 267.413 3.300 20 30 CGEDMO C=C(C)C[C@H]([NH2+][C@@H]1CCC[C@H](C)CC1)C(=O)OCC ZINC001207341706 813543405 /nfs/dbraw/zinc/54/34/05/813543405.db2.gz ROULKJRVTSVBGP-ZNMIVQPWSA-N 1 1 267.413 3.443 20 30 CGEDMO C#CC[N@H+](C)C[C@H]1CC=C(CCCC(C)(C)O)CC1 ZINC001207406293 813558967 /nfs/dbraw/zinc/55/89/67/813558967.db2.gz GMPVXNAMHMGFDZ-INIZCTEOSA-N 1 1 263.425 3.219 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@](C)(F)CCCC)C1 ZINC001207779753 813649390 /nfs/dbraw/zinc/64/93/90/813649390.db2.gz QOJSFRMTGFPSIS-BFYDXBDKSA-N 1 1 298.446 3.308 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C(CC)CC)C1 ZINC001207784282 813649845 /nfs/dbraw/zinc/64/98/45/813649845.db2.gz HXNMLIGTWLSMTG-IIAWOOMASA-N 1 1 280.456 3.071 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1(c2ccccc2)CC1 ZINC001207839158 813658263 /nfs/dbraw/zinc/65/82/63/813658263.db2.gz HUTLCHTZDGDETC-XGBSXSJOSA-N 1 1 266.388 3.485 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@](C)(O)[C@@H](C)C2)CC1 ZINC001208170910 813723513 /nfs/dbraw/zinc/72/35/13/813723513.db2.gz NYNNXLPLXPULQE-USXIJHARSA-N 1 1 263.425 3.382 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@](F)(CO)CC2)CC1 ZINC001208171499 813725753 /nfs/dbraw/zinc/72/57/53/813725753.db2.gz VBMAZHNQGFNTIM-IAGOWNOFSA-N 1 1 281.415 3.476 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H]3CCCN(C)[C@@H]3C2)CC1 ZINC001208178303 813728674 /nfs/dbraw/zinc/72/86/74/813728674.db2.gz PXPZCBCDEADLRH-FGTMMUONSA-N 1 1 274.452 3.315 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@@H](NC(=O)CC)C2)CC1 ZINC001208179051 813730396 /nfs/dbraw/zinc/73/03/96/813730396.db2.gz KFYZNVXCEJRMNS-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@H](C)[C@@H](C(=O)OC)C2)CC1 ZINC001208179465 813731076 /nfs/dbraw/zinc/73/10/76/813731076.db2.gz ZTBBOZJVBCSMFX-IMJJTQAJSA-N 1 1 277.408 3.030 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001208304131 813753670 /nfs/dbraw/zinc/75/36/70/813753670.db2.gz FPTFTIFADLOAIE-KLHDSHLOSA-N 1 1 280.456 3.049 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001208351068 813757350 /nfs/dbraw/zinc/75/73/50/813757350.db2.gz VQRKDNJYJYGTSF-OWCLPIDISA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)CCC=C)C[C@H]1C ZINC001208452426 813762320 /nfs/dbraw/zinc/76/23/20/813762320.db2.gz KQSRDPOIPKBXNG-OWCLPIDISA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)CC)C1 ZINC001208466977 813764074 /nfs/dbraw/zinc/76/40/74/813764074.db2.gz PZLOKEQZCNWVQT-RBSFLKMASA-N 1 1 280.456 3.214 20 30 CGEDMO C[C@@]1(C#N)CCN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001208592401 813769802 /nfs/dbraw/zinc/76/98/02/813769802.db2.gz VIKMYWRPIRWDJH-MOPGFXCFSA-N 1 1 297.446 3.277 20 30 CGEDMO C[C@]1(CF)CC[N@@H+](CCCc2ccc(C#N)cc2)C1 ZINC001208855414 813866470 /nfs/dbraw/zinc/86/64/70/813866470.db2.gz BHFHADNXABKUTP-MRXNPFEDSA-N 1 1 260.356 3.172 20 30 CGEDMO C[C@@]1(F)CCC[N@@H+](CCCc2ccc(C#N)cc2)C1 ZINC001208857216 813868221 /nfs/dbraw/zinc/86/82/21/813868221.db2.gz XWVILNSFKROXNR-MRXNPFEDSA-N 1 1 260.356 3.315 20 30 CGEDMO C[C@]1(C#N)CCN(C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208944208 813907591 /nfs/dbraw/zinc/90/75/91/813907591.db2.gz OPPIDWBCTHEMLL-RBUKOAKNSA-N 1 1 297.446 3.134 20 30 CGEDMO C=CCN(CC[N@H+]1CC[C@H]2CCCC[C@H]2C1)C(=O)OCC ZINC001209022647 813917643 /nfs/dbraw/zinc/91/76/43/813917643.db2.gz QHQCWNSUCPVRPS-CVEARBPZSA-N 1 1 294.439 3.143 20 30 CGEDMO C=CCCC[N@H+](C)CCc1ccc(OC)c(OC)c1 ZINC001209156897 813950472 /nfs/dbraw/zinc/95/04/72/813950472.db2.gz JAKYOQXOJYGCNY-UHFFFAOYSA-N 1 1 263.381 3.144 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@](C)(NC(=O)OC(C)(C)C)C1 ZINC001209156981 813950586 /nfs/dbraw/zinc/95/05/86/813950586.db2.gz MRDGOCOAQPEKIV-INIZCTEOSA-N 1 1 282.428 3.332 20 30 CGEDMO C=CCCCN1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001209160377 813951424 /nfs/dbraw/zinc/95/14/24/813951424.db2.gz URTWQIRZLZFXAW-INIZCTEOSA-N 1 1 258.409 3.331 20 30 CGEDMO C=CCCC[N@@H+]1CCCCC12CN(C(=O)OC(C)(C)C)C2 ZINC001209158980 813952494 /nfs/dbraw/zinc/95/24/94/813952494.db2.gz XXIRUDSXLIRWTD-UHFFFAOYSA-N 1 1 294.439 3.428 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001209163979 813953402 /nfs/dbraw/zinc/95/34/02/813953402.db2.gz PXOOWSUZWFNMDA-ROUUACIJSA-N 1 1 270.420 3.159 20 30 CGEDMO C=CCCCC[N@@H+]1CCN(C)[C@H](c2ccccc2)C1 ZINC001209202697 813966409 /nfs/dbraw/zinc/96/64/09/813966409.db2.gz NREUWJRGCZUVBZ-KRWDZBQOSA-N 1 1 258.409 3.331 20 30 CGEDMO C=CCCCC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC001209202378 813967188 /nfs/dbraw/zinc/96/71/88/813967188.db2.gz GCWWDAGOUZEHNZ-UHFFFAOYSA-N 1 1 275.392 3.418 20 30 CGEDMO C#CCCCN1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC001209269420 813989583 /nfs/dbraw/zinc/98/95/83/813989583.db2.gz JTWSZZAJIJWFNI-UHFFFAOYSA-N 1 1 292.426 3.371 20 30 CGEDMO CCC[N@H+](CCC#N)CCCCCNC(=O)OC(C)(C)C ZINC001209372578 814005224 /nfs/dbraw/zinc/00/52/24/814005224.db2.gz BWTHMTUHYYFNIT-UHFFFAOYSA-N 1 1 297.443 3.307 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](C[C@H]1C[C@@H]1C)[C@H]2CC ZINC001209411108 814017704 /nfs/dbraw/zinc/01/77/04/814017704.db2.gz BDPYUNSKAWLKKR-DFGXFYAUSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCCCCC[N@H+]1CCc2ncnc(CC)c2CC1 ZINC001209424163 814025970 /nfs/dbraw/zinc/02/59/70/814025970.db2.gz MMEBJWYZPUZTQK-UHFFFAOYSA-N 1 1 273.424 3.186 20 30 CGEDMO C=CCCCCC[N@@H+]1CCn2c(COC)cnc2[C@@H]1C ZINC001209424473 814026489 /nfs/dbraw/zinc/02/64/89/814026489.db2.gz RBXJXDITQYEXLA-AWEZNQCLSA-N 1 1 277.412 3.153 20 30 CGEDMO C=CCCCCC[N@H+]1CCn2c(COC)cnc2[C@@H]1C ZINC001209424473 814026493 /nfs/dbraw/zinc/02/64/93/814026493.db2.gz RBXJXDITQYEXLA-AWEZNQCLSA-N 1 1 277.412 3.153 20 30 CGEDMO C=CCCCCC[NH+]1CC(C)(NC(=O)OC(C)(C)C)C1 ZINC001209429313 814029688 /nfs/dbraw/zinc/02/96/88/814029688.db2.gz YAPZCMQGDKCXQZ-UHFFFAOYSA-N 1 1 282.428 3.332 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](Oc2ncncc2C)C1 ZINC001209432860 814032977 /nfs/dbraw/zinc/03/29/77/814032977.db2.gz LGAQMXAFAUPEPD-MRXNPFEDSA-N 1 1 289.423 3.375 20 30 CGEDMO C=CCCCCCC[N@H+]1Cc2cn(C)nc2[C@@H](COC)C1 ZINC001209435014 814035414 /nfs/dbraw/zinc/03/54/14/814035414.db2.gz BXUKOLARMRBGFV-MRXNPFEDSA-N 1 1 291.439 3.102 20 30 CGEDMO C=CCCCCCCCN1CC[N@H+]2C[C@H](OCC)C[C@H]2C1 ZINC001209440223 814038030 /nfs/dbraw/zinc/03/80/30/814038030.db2.gz ALEOAFJQUIRXGI-ZWKOTPCHSA-N 1 1 294.483 3.308 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CCN2C[C@H](OCC)C[C@H]2C1 ZINC001209440223 814038038 /nfs/dbraw/zinc/03/80/38/814038038.db2.gz ALEOAFJQUIRXGI-ZWKOTPCHSA-N 1 1 294.483 3.308 20 30 CGEDMO C=CCCCCCCC[N@H+]1CCN2C[C@H](OCC)C[C@H]2C1 ZINC001209440223 814038046 /nfs/dbraw/zinc/03/80/46/814038046.db2.gz ALEOAFJQUIRXGI-ZWKOTPCHSA-N 1 1 294.483 3.308 20 30 CGEDMO C=CCCCCCC[N@H+]1CCc2c(cc[nH]c2=O)C1 ZINC001209440381 814042107 /nfs/dbraw/zinc/04/21/07/814042107.db2.gz JFEKDXDFJHEQNT-UHFFFAOYSA-N 1 1 260.381 3.282 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CC[C@](F)(CO)C1 ZINC001209442319 814043196 /nfs/dbraw/zinc/04/31/96/814043196.db2.gz FMXHGPWWKMSWNF-OAHLLOKOSA-N 1 1 257.393 3.309 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CCC[C@H](S(C)(=O)=O)C1 ZINC001209442568 814043581 /nfs/dbraw/zinc/04/35/81/814043581.db2.gz VMDIWJLEFKROJE-HNNXBMFYSA-N 1 1 287.469 3.022 20 30 CGEDMO C=CCCCCCCC[N@H+]1CC[C@H](Oc2cnccn2)C1 ZINC001209442845 814044000 /nfs/dbraw/zinc/04/40/00/814044000.db2.gz XKNBHXQAADFOJK-INIZCTEOSA-N 1 1 289.423 3.456 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CCn2ncnc2C1 ZINC001209442307 814044189 /nfs/dbraw/zinc/04/41/89/814044189.db2.gz FEVVEAVWEHJQEN-UHFFFAOYSA-N 1 1 262.401 3.010 20 30 CGEDMO C=CCCCCCCCC[N@H+]1CCn2ncnc2C1 ZINC001209442307 814044201 /nfs/dbraw/zinc/04/42/01/814044201.db2.gz FEVVEAVWEHJQEN-UHFFFAOYSA-N 1 1 262.401 3.010 20 30 CGEDMO C=CCCCCCCCC[N@H+]1C[C@@H]2COC[C@H](C1)C2=O ZINC001209445365 814045440 /nfs/dbraw/zinc/04/54/40/814045440.db2.gz JHJFPANKVASEGU-IYBDPMFKSA-N 1 1 279.424 3.050 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)CCCCCC)C1 ZINC001209656130 814108454 /nfs/dbraw/zinc/10/84/54/814108454.db2.gz ASMXKNXMEWKWEO-BZUAXINKSA-N 1 1 280.456 3.215 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2c[nH]c3cc(F)ccc23)C1 ZINC001209692787 814113163 /nfs/dbraw/zinc/11/31/63/814113163.db2.gz WLVKCFBXEKHWIB-LBPRGKRZSA-N 1 1 271.339 3.433 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)CCC)C1 ZINC001209775692 814138086 /nfs/dbraw/zinc/13/80/86/814138086.db2.gz DTZNXXOZHFNNJE-BZUAXINKSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)CC(C)C)C1 ZINC001210110771 814295349 /nfs/dbraw/zinc/29/53/49/814295349.db2.gz DGTTTXKQEPZVBQ-BRWVUGGUSA-N 1 1 294.483 3.461 20 30 CGEDMO COc1cccc(Nc2cccc3[nH+]cn(C)c32)c1C#N ZINC001210126523 814301743 /nfs/dbraw/zinc/30/17/43/814301743.db2.gz CAIOAAYISFFYQP-UHFFFAOYSA-N 1 1 278.315 3.197 20 30 CGEDMO C[C@@H]1CC(=O)C=C(c2ccc([C@H]3CC[N@@H+](C)C3)cc2)C1 ZINC001242742769 823118906 /nfs/dbraw/zinc/11/89/06/823118906.db2.gz CHJUMGDCEZLZHK-BBRMVZONSA-N 1 1 269.388 3.488 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)C(C)(C)C)C1 ZINC001210619815 814560127 /nfs/dbraw/zinc/56/01/27/814560127.db2.gz HYADNGLKQJDWNW-BZUAXINKSA-N 1 1 294.483 3.461 20 30 CGEDMO Cc1cc(-c2cc(-n3ccnc3)cc[nH+]2)ccc1C#N ZINC001242766696 823126449 /nfs/dbraw/zinc/12/64/49/823126449.db2.gz LCPNXPLADCCLJM-UHFFFAOYSA-N 1 1 260.300 3.114 20 30 CGEDMO Cc1[nH+]ccn1-c1ccc(NC2=CC(=O)C[C@H](C)C2)cc1 ZINC001210777764 814623011 /nfs/dbraw/zinc/62/30/11/814623011.db2.gz ZDVCCERBQSGDJC-GFCCVEGCSA-N 1 1 281.359 3.476 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nnc(CCCc2ccccc2)o1 ZINC001217757985 815955038 /nfs/dbraw/zinc/95/50/38/815955038.db2.gz VDQADPBQMPBWFW-HNNXBMFYSA-N 1 1 283.375 3.048 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nnc([C@H]2C[C@@H]2c2ccc(C)cc2)o1 ZINC001217757614 815955568 /nfs/dbraw/zinc/95/55/68/815955568.db2.gz PLPHGSFRQQXHSQ-PMPSAXMXSA-N 1 1 295.386 3.452 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC3CCC3)[C@@H]2C1 ZINC001221466558 816316318 /nfs/dbraw/zinc/31/63/18/816316318.db2.gz PRONFEXOHZETLX-USXIJHARSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)/C=C(\C)CC)[C@@H]2C1 ZINC001221533223 816319401 /nfs/dbraw/zinc/31/94/01/816319401.db2.gz CMKDQLYYHMUYOV-XYXQLXHPSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CC(C)(C)CC(=O)N1C[C@H]2CC[N@H+](CCC(=C)C)C[C@H]21 ZINC001221579617 816320586 /nfs/dbraw/zinc/32/05/86/816320586.db2.gz NTBBJVZWPRASOP-HZPDHXFCSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCCC(C)C)[C@@H]2C1 ZINC001221882960 816332040 /nfs/dbraw/zinc/33/20/40/816332040.db2.gz KBGRPQYIQMUWCK-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CC(CC)CC)[C@@H]2C1 ZINC001221897915 816332885 /nfs/dbraw/zinc/33/28/85/816332885.db2.gz JQJSRAXDHSBODT-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@H]2CCN(C(=O)C3CC3)C[C@@H]21 ZINC001222160798 816366828 /nfs/dbraw/zinc/36/68/28/816366828.db2.gz ARTZASBHEVDZLQ-WBVHZDCISA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]2CC[N@H+](C[C@@H](F)CC)[C@H]2C1 ZINC001222790572 816518300 /nfs/dbraw/zinc/51/83/00/816518300.db2.gz ZQSVKVWZWAVCST-PMPSAXMXSA-N 1 1 296.430 3.014 20 30 CGEDMO C[N@H+]1CCC[C@H](OCc2ccc(C(C)(C)C#N)cc2)C1 ZINC001223153198 816578613 /nfs/dbraw/zinc/57/86/13/816578613.db2.gz NETNRSXWVNQNGR-INIZCTEOSA-N 1 1 272.392 3.099 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C/C=C(\C)C=C)C[C@@H]21 ZINC001223291694 816599957 /nfs/dbraw/zinc/59/99/57/816599957.db2.gz JABNXDORWOWDFG-KUCHOIMBSA-N 1 1 288.435 3.008 20 30 CGEDMO C=CCCC1(C(=O)N2CC[C@H]3CC[N@H+](CCC)[C@H]3C2)CC1 ZINC001223425600 816627222 /nfs/dbraw/zinc/62/72/22/816627222.db2.gz YNLCIIGUILCHBP-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H](CC)C(C)C)C[C@@H]21 ZINC001223931914 816704199 /nfs/dbraw/zinc/70/41/99/816704199.db2.gz HJGDPZILWROWLG-ZACQAIPSSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCO[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001224339431 816782244 /nfs/dbraw/zinc/78/22/44/816782244.db2.gz MPWOWXQGNIFRFP-PIIMJCKOSA-N 1 1 271.404 3.490 20 30 CGEDMO CCCCCCCCO[C@@H]1C[C@@H]2CC(=O)C[C@H]1[N@H+]2C ZINC001224569837 816828825 /nfs/dbraw/zinc/82/88/25/816828825.db2.gz APPCVUDQYLJTDO-NUEKZKHPSA-N 1 1 267.413 3.168 20 30 CGEDMO CCC[C@H](C#Cc1ccccc1)OC[C@@H]1CCC[N@H+]1C ZINC001224829091 816891778 /nfs/dbraw/zinc/89/17/78/816891778.db2.gz HWRFNMRAGKASFX-ZWKOTPCHSA-N 1 1 271.404 3.318 20 30 CGEDMO C=CC[C@@H](OCCC[NH+]1CCOCC1)c1ccccc1 ZINC001224870194 816897814 /nfs/dbraw/zinc/89/78/14/816897814.db2.gz MOPSVPOQDMJWTQ-QGZVFWFLSA-N 1 1 275.392 3.043 20 30 CGEDMO C=C[C@H](CCC)OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001224960703 816918471 /nfs/dbraw/zinc/91/84/71/816918471.db2.gz FZMPMCUBNPQGSR-MSOLQXFVSA-N 1 1 289.419 3.259 20 30 CGEDMO C=C[C@H](CCC)OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001224960703 816918473 /nfs/dbraw/zinc/91/84/73/816918473.db2.gz FZMPMCUBNPQGSR-MSOLQXFVSA-N 1 1 289.419 3.259 20 30 CGEDMO C#C[C@@H](CCCCC)Oc1cccnc1C[NH+](C)C ZINC001225281049 816993520 /nfs/dbraw/zinc/99/35/20/816993520.db2.gz TZDYYQLUTRZDGM-AWEZNQCLSA-N 1 1 260.381 3.104 20 30 CGEDMO Cc1cc(C#N)cc(C)c1O[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001226527889 817386568 /nfs/dbraw/zinc/38/65/68/817386568.db2.gz UTMBFSOJYDJSHW-MRXNPFEDSA-N 1 1 272.392 3.427 20 30 CGEDMO Cc1cc(C#N)cc(Cl)c1O[C@@H]1CCc2[nH+]ccn2C1 ZINC001226594733 817408310 /nfs/dbraw/zinc/40/83/10/817408310.db2.gz CYYZLJDZRICXEP-GFCCVEGCSA-N 1 1 287.750 3.110 20 30 CGEDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(C#N)c(C#N)c1)C2 ZINC001228258499 817852943 /nfs/dbraw/zinc/85/29/43/817852943.db2.gz AIPLGFVIMYKQQJ-VQFNDLOPSA-N 1 1 295.386 3.213 20 30 CGEDMO CC(=O)/C=C\c1ccc(O[C@@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)cc1 ZINC001228495185 817921364 /nfs/dbraw/zinc/92/13/64/817921364.db2.gz YFEGXSJATOGBTB-YXCAPBPLSA-N 1 1 299.414 3.398 20 30 CGEDMO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1CCCC1CCCC1 ZINC001231122960 818035497 /nfs/dbraw/zinc/03/54/97/818035497.db2.gz QLMYWMFZTBAMNQ-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO Cc1cc(C)c(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)cc1C ZINC001231483751 818107342 /nfs/dbraw/zinc/10/73/42/818107342.db2.gz YMKIWTHRXFNAOX-INIZCTEOSA-N 1 1 287.428 3.386 20 30 CGEDMO Cc1cc(C)c(C[N@@H+]2CCC3SC(=O)C=C3C2)cc1C ZINC001231483751 818107348 /nfs/dbraw/zinc/10/73/48/818107348.db2.gz YMKIWTHRXFNAOX-INIZCTEOSA-N 1 1 287.428 3.386 20 30 CGEDMO Cc1cc(C)c(C[N@H+]2CCC3SC(=O)C=C3C2)cc1C ZINC001231483751 818107351 /nfs/dbraw/zinc/10/73/51/818107351.db2.gz YMKIWTHRXFNAOX-INIZCTEOSA-N 1 1 287.428 3.386 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2ccccc2C#Cc2ccccc2)C1 ZINC001231577337 818126713 /nfs/dbraw/zinc/12/67/13/818126713.db2.gz SHCJMBGNATZPGC-FQEVSTJZSA-N 1 1 291.394 3.307 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2nc3c(s2)CCCC3)CC1 ZINC001231581986 818128048 /nfs/dbraw/zinc/12/80/48/818128048.db2.gz AWTKQDVGVDKTEK-LBPRGKRZSA-N 1 1 275.421 3.148 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2nc3c(s2)CCCC3)CC1 ZINC001231581986 818128052 /nfs/dbraw/zinc/12/80/52/818128052.db2.gz AWTKQDVGVDKTEK-LBPRGKRZSA-N 1 1 275.421 3.148 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c1 ZINC001231622420 818138114 /nfs/dbraw/zinc/13/81/14/818138114.db2.gz ZBTQFGNUIXLPPZ-CWRNSKLLSA-N 1 1 261.340 3.041 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c1 ZINC001231622420 818138117 /nfs/dbraw/zinc/13/81/17/818138117.db2.gz ZBTQFGNUIXLPPZ-CWRNSKLLSA-N 1 1 261.340 3.041 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)c1 ZINC001231625445 818141026 /nfs/dbraw/zinc/14/10/26/818141026.db2.gz WYNWLQYYZGVBEN-NVXWUHKLSA-N 1 1 285.387 3.052 20 30 CGEDMO C#Cc1cccc(C[NH+]2CCC(C(=O)C(F)(F)F)CC2)c1 ZINC001231659590 818151770 /nfs/dbraw/zinc/15/17/70/818151770.db2.gz PHKICEGGSNBJLZ-UHFFFAOYSA-N 1 1 295.304 3.011 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CCN(C)[C@@H](c3ccccc3)C2)c1 ZINC001231659948 818151844 /nfs/dbraw/zinc/15/18/44/818151844.db2.gz XPTOOQXXQZKEJO-HXUWFJFHSA-N 1 1 290.410 3.157 20 30 CGEDMO C#Cc1cccc(CN2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC001231659948 818151848 /nfs/dbraw/zinc/15/18/48/818151848.db2.gz XPTOOQXXQZKEJO-HXUWFJFHSA-N 1 1 290.410 3.157 20 30 CGEDMO C#Cc1cccc(CN2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC001231659948 818151850 /nfs/dbraw/zinc/15/18/50/818151850.db2.gz XPTOOQXXQZKEJO-HXUWFJFHSA-N 1 1 290.410 3.157 20 30 CGEDMO Cc1cc(C)c(C[N@H+]2CCC[C@H](C#N)CC2)c(O)c1 ZINC001231846375 818187677 /nfs/dbraw/zinc/18/76/77/818187677.db2.gz KJUYONDMFKJPKS-AWEZNQCLSA-N 1 1 258.365 3.135 20 30 CGEDMO C[C@H]1C[C@H]2C[N@@H+](Cc3ccc(C#N)c(Cl)c3)CC[C@H]2O1 ZINC001232113680 818258318 /nfs/dbraw/zinc/25/83/18/818258318.db2.gz YUEBWHCLHJAXPX-HZUKXOBISA-N 1 1 290.794 3.211 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)c(Cl)c1)C1CCOCC1 ZINC001232120138 818259828 /nfs/dbraw/zinc/25/98/28/818259828.db2.gz NPDLWLDQHKAADB-UHFFFAOYSA-N 1 1 278.783 3.213 20 30 CGEDMO N#Cc1ccc(C[NH+]2CC(c3cccnc3)C2)cc1Cl ZINC001232117249 818260040 /nfs/dbraw/zinc/26/00/40/818260040.db2.gz WNHKZDLZWSSIDT-UHFFFAOYSA-N 1 1 283.762 3.206 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC001232116040 818260620 /nfs/dbraw/zinc/26/06/20/818260620.db2.gz IUMVPGKHOCKAJB-RISCZKNCSA-N 1 1 278.783 3.211 20 30 CGEDMO CC(C)(C)c1cc(C[NH+]2CCC(C#N)CC2)ccn1 ZINC001232212194 818278527 /nfs/dbraw/zinc/27/85/27/818278527.db2.gz KFUPNTMYTKXLSU-UHFFFAOYSA-N 1 1 257.381 3.115 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2ccc(O)c3ncccc23)CC1 ZINC001232275811 818299597 /nfs/dbraw/zinc/29/95/97/818299597.db2.gz DLAOROHWNWVDAQ-ZDUSSCGKSA-N 1 1 281.359 3.066 20 30 CGEDMO C[N@@H+](CCc1ccccc1Cl)Cc1cc(C#N)ccn1 ZINC001232477950 818363777 /nfs/dbraw/zinc/36/37/77/818363777.db2.gz FNXAWSXIVZMSLN-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO N#Cc1ccc([O-])c(C[N@H+]2CCC[C@@H]2c2nccs2)c1 ZINC001232677191 818417352 /nfs/dbraw/zinc/41/73/52/818417352.db2.gz CDKWLUTVMCTHEQ-CYBMUJFWSA-N 1 1 285.372 3.057 20 30 CGEDMO N#Cc1ccc([O-])c(CN2CCC[C@@H]2c2nccs2)c1 ZINC001232677191 818417356 /nfs/dbraw/zinc/41/73/56/818417356.db2.gz CDKWLUTVMCTHEQ-CYBMUJFWSA-N 1 1 285.372 3.057 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc3ncsc3c2)C1 ZINC001232742065 818430515 /nfs/dbraw/zinc/43/05/15/818430515.db2.gz RTOWMFBCLUTXSW-GFCCVEGCSA-N 1 1 271.389 3.422 20 30 CGEDMO Cc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)c(F)cc1F ZINC001232782487 818437668 /nfs/dbraw/zinc/43/76/68/818437668.db2.gz MGHIWIVSDKZYIZ-GFCCVEGCSA-N 1 1 264.319 3.399 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@H](CC#N)C2)c(F)cc1F ZINC001232782487 818437671 /nfs/dbraw/zinc/43/76/71/818437671.db2.gz MGHIWIVSDKZYIZ-GFCCVEGCSA-N 1 1 264.319 3.399 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2c[nH]c3cc(Cl)ncc23)C1 ZINC001232822592 818448691 /nfs/dbraw/zinc/44/86/91/818448691.db2.gz SIDWJSYQDPOUTE-NSHDSACASA-N 1 1 273.767 3.062 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@H](CC#N)C2)c(OC)cc1C ZINC001232833107 818451528 /nfs/dbraw/zinc/45/15/28/818451528.db2.gz SDKHQDRZIASOCO-CQSZACIVSA-N 1 1 288.391 3.138 20 30 CGEDMO COC(C)(C)[C@H]1CCC[N@H+]1Cc1ccc(C#N)s1 ZINC001232844052 818454557 /nfs/dbraw/zinc/45/45/57/818454557.db2.gz MKSVGELWYCKDTQ-CYBMUJFWSA-N 1 1 264.394 3.009 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001232889851 818467180 /nfs/dbraw/zinc/46/71/80/818467180.db2.gz QXXJCCCOFPYQCR-BETUJISGSA-N 1 1 280.293 3.174 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001232889851 818467182 /nfs/dbraw/zinc/46/71/82/818467182.db2.gz QXXJCCCOFPYQCR-BETUJISGSA-N 1 1 280.293 3.174 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]2c2ccccc2F)n1 ZINC001232924622 818473243 /nfs/dbraw/zinc/47/32/43/818473243.db2.gz OXSHLSSMHRXOEF-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H]2c2ccccc2F)n1 ZINC001232924622 818473247 /nfs/dbraw/zinc/47/32/47/818473247.db2.gz OXSHLSSMHRXOEF-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)n1)C(C)(C)Cc1ccccc1 ZINC001232926286 818474951 /nfs/dbraw/zinc/47/49/51/818474951.db2.gz GWLSVHFRWNOJTK-UHFFFAOYSA-N 1 1 279.387 3.406 20 30 CGEDMO CC[N@@H+](Cc1ccc(F)cc1)Cc1cccc(C#N)n1 ZINC001232926042 818475382 /nfs/dbraw/zinc/47/53/82/818475382.db2.gz XNODRNANXHCEKS-UHFFFAOYSA-N 1 1 269.323 3.114 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@]3(CC3(F)F)C2)c(C#N)c1 ZINC001232965943 818484601 /nfs/dbraw/zinc/48/46/01/818484601.db2.gz BVIVPDBHCSWKIX-AWEZNQCLSA-N 1 1 262.303 3.098 20 30 CGEDMO Cc1cc(C)c(C[N@@H+]2CCc3cc(C#N)ccc3C2)cn1 ZINC001233006398 818498951 /nfs/dbraw/zinc/49/89/51/818498951.db2.gz BCPDTPIDEULYHR-UHFFFAOYSA-N 1 1 277.371 3.128 20 30 CGEDMO Cc1cc(C)c(C[N@H+]2CCc3cc(C#N)ccc3C2)cn1 ZINC001233006398 818498955 /nfs/dbraw/zinc/49/89/55/818498955.db2.gz BCPDTPIDEULYHR-UHFFFAOYSA-N 1 1 277.371 3.128 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(C#N)c2F)CC1 ZINC001233099127 818521814 /nfs/dbraw/zinc/52/18/14/818521814.db2.gz PNRWXRFKHBXNOX-CYBMUJFWSA-N 1 1 289.398 3.385 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(C#N)c2F)CC1 ZINC001233099129 818522148 /nfs/dbraw/zinc/52/21/48/818522148.db2.gz PNRWXRFKHBXNOX-ZDUSSCGKSA-N 1 1 289.398 3.385 20 30 CGEDMO C#CC[N@H+](Cc1cc(C)c[nH]c1=O)[C@@H]1CCc2ccccc21 ZINC001233196661 818539236 /nfs/dbraw/zinc/53/92/36/818539236.db2.gz YWZSZFQYMQNIFJ-GOSISDBHSA-N 1 1 292.382 3.218 20 30 CGEDMO C[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2O)C[C@H]1C ZINC001233383822 818604905 /nfs/dbraw/zinc/60/49/05/818604905.db2.gz XKOKVFYPJVQJNO-QWHCGFSZSA-N 1 1 258.365 3.132 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2O)C[C@H]1C ZINC001233383822 818604910 /nfs/dbraw/zinc/60/49/10/818604910.db2.gz XKOKVFYPJVQJNO-QWHCGFSZSA-N 1 1 258.365 3.132 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC3(CCCC3)C2)c(O)c1 ZINC001233386471 818606312 /nfs/dbraw/zinc/60/63/12/818606312.db2.gz VJODVMWLCUYOEA-UHFFFAOYSA-N 1 1 256.349 3.030 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC3(CCCC3)C2)c(O)c1 ZINC001233386471 818606317 /nfs/dbraw/zinc/60/63/17/818606317.db2.gz VJODVMWLCUYOEA-UHFFFAOYSA-N 1 1 256.349 3.030 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c([O-])c1 ZINC001233386766 818607242 /nfs/dbraw/zinc/60/72/42/818607242.db2.gz IDFMHYMQCIXBEY-HIFRSBDPSA-N 1 1 256.349 3.028 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c(O)c1 ZINC001233386766 818607244 /nfs/dbraw/zinc/60/72/44/818607244.db2.gz IDFMHYMQCIXBEY-HIFRSBDPSA-N 1 1 256.349 3.028 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c(O)c1 ZINC001233386766 818607249 /nfs/dbraw/zinc/60/72/49/818607249.db2.gz IDFMHYMQCIXBEY-HIFRSBDPSA-N 1 1 256.349 3.028 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1[O-])CC1CCCCC1 ZINC001233386664 818607402 /nfs/dbraw/zinc/60/74/02/818607402.db2.gz CJBUJDNLSARDFN-UHFFFAOYSA-N 1 1 258.365 3.276 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cn2ccc(Cl)cc2n1 ZINC001233392394 818608606 /nfs/dbraw/zinc/60/86/06/818608606.db2.gz XTCQRDGLRDHCLG-UHFFFAOYSA-N 1 1 263.772 3.386 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H](Oc2ccccc2C(=O)CC#N)C1 ZINC001233525872 818633624 /nfs/dbraw/zinc/63/36/24/818633624.db2.gz YGUXFBYPQWQNBB-CQSZACIVSA-N 1 1 286.375 3.035 20 30 CGEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1c(Cl)cccc1C#N)C2 ZINC001233548071 818637917 /nfs/dbraw/zinc/63/79/17/818637917.db2.gz RNQITRIXMZWVFO-CLLJXQQHSA-N 1 1 276.767 3.216 20 30 CGEDMO C/C=C(/C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCCCCCC ZINC001233568921 818644207 /nfs/dbraw/zinc/64/42/07/818644207.db2.gz HIYHOVZRRHSSNF-PJVYJYFWSA-N 1 1 280.456 3.456 20 30 CGEDMO CCCCCCC[N@@H+](C)Cc1ccc2c(n1)OCCO2 ZINC001233868523 818720224 /nfs/dbraw/zinc/72/02/24/818720224.db2.gz KTJBRSWFQVSUOD-UHFFFAOYSA-N 1 1 278.396 3.255 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)c1coc(C)c1 ZINC001233866496 818720789 /nfs/dbraw/zinc/72/07/89/818720789.db2.gz RCJWSRDMOOXIKO-CJNGLKHVSA-N 1 1 290.407 3.089 20 30 CGEDMO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1[C@@H](C)c1ccccc1 ZINC001233947263 818737563 /nfs/dbraw/zinc/73/75/63/818737563.db2.gz JVNUJDPOIDEERD-WMZOPIPTSA-N 1 1 298.430 3.084 20 30 CGEDMO C=CCN1CC[NH+](Cc2c[nH]c(-c3ccccc3F)c2)CC1 ZINC001235040534 818989098 /nfs/dbraw/zinc/98/90/98/818989098.db2.gz UVGPGDIEDVVCRD-UHFFFAOYSA-N 1 1 299.393 3.124 20 30 CGEDMO Cc1nnc(-c2ccc(C[N@H+]3CCC[C@@H](C#N)CC3)cc2)o1 ZINC001235059915 818991926 /nfs/dbraw/zinc/99/19/26/818991926.db2.gz KPOJDTMZLIGFOV-CQSZACIVSA-N 1 1 296.374 3.171 20 30 CGEDMO C=CCCCCCC[N@@H+]1CC[C@]2(C1)C[NH2+]CCC2(F)F ZINC001235092012 818999442 /nfs/dbraw/zinc/99/94/42/818999442.db2.gz WFDVNTNNFSHVML-OAHLLOKOSA-N 1 1 286.410 3.444 20 30 CGEDMO C=CCCCCCC[N@H+]1CC[C@]2(C1)CNCCC2(F)F ZINC001235092012 818999448 /nfs/dbraw/zinc/99/94/48/818999448.db2.gz WFDVNTNNFSHVML-OAHLLOKOSA-N 1 1 286.410 3.444 20 30 CGEDMO C=CCCCCCC[N@@H+]1CC[C@]2(C1)CNCCC2(F)F ZINC001235092012 818999455 /nfs/dbraw/zinc/99/94/55/818999455.db2.gz WFDVNTNNFSHVML-OAHLLOKOSA-N 1 1 286.410 3.444 20 30 CGEDMO C=CCCCCCCCCN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235186172 819027640 /nfs/dbraw/zinc/02/76/40/819027640.db2.gz FPUTVFPOTLQEFX-SJORKVTESA-N 1 1 264.457 3.444 20 30 CGEDMO Cc1cc(F)c(C[N@@H+]2CCC[C@@H](C#N)CC2)c(F)c1 ZINC001235200965 819035530 /nfs/dbraw/zinc/03/55/30/819035530.db2.gz JYCKSWKMRDNCHD-GFCCVEGCSA-N 1 1 264.319 3.399 20 30 CGEDMO Cc1cc(F)c(C[N@H+]2CCC[C@@H](C#N)CC2)c(F)c1 ZINC001235200965 819035534 /nfs/dbraw/zinc/03/55/34/819035534.db2.gz JYCKSWKMRDNCHD-GFCCVEGCSA-N 1 1 264.319 3.399 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)Cc1cc(C(=O)OC)ccn1 ZINC001235209583 819036728 /nfs/dbraw/zinc/03/67/28/819036728.db2.gz JWVAVTOHGOQNPW-UHFFFAOYSA-N 1 1 296.370 3.056 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cc(C(=O)OC)ccn1 ZINC001235209583 819036733 /nfs/dbraw/zinc/03/67/33/819036733.db2.gz JWVAVTOHGOQNPW-UHFFFAOYSA-N 1 1 296.370 3.056 20 30 CGEDMO C=CCCC(=O)NCCC[N@H+](C)CC1CCC(C)CC1 ZINC001235451108 819102248 /nfs/dbraw/zinc/10/22/48/819102248.db2.gz CNMZYNLGANXBDO-UHFFFAOYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCC(=O)NCCC[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC001235464571 819105735 /nfs/dbraw/zinc/10/57/35/819105735.db2.gz LFPQDGHKMIPAJM-CQSZACIVSA-N 1 1 292.398 3.291 20 30 CGEDMO C=CCCC(=O)NCCC[N@H+](C)CCCCCCC ZINC001235464461 819105801 /nfs/dbraw/zinc/10/58/01/819105801.db2.gz JIPAIUMFSPQWHV-UHFFFAOYSA-N 1 1 268.445 3.361 20 30 CGEDMO C[N@@H+](CCc1cccs1)Cc1ccccc1CC#N ZINC001235522491 819115066 /nfs/dbraw/zinc/11/50/66/819115066.db2.gz GTGNPJZIGFXCMO-UHFFFAOYSA-N 1 1 270.401 3.489 20 30 CGEDMO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@H](C#N)C2)c(O)c1 ZINC001235678710 819138378 /nfs/dbraw/zinc/13/83/78/819138378.db2.gz MAVHODRMVOVPQT-CYBMUJFWSA-N 1 1 272.392 3.425 20 30 CGEDMO CC(C)(C)c1ccc(C[N@H+]2CCC[C@H](C#N)C2)c(O)c1 ZINC001235678710 819138382 /nfs/dbraw/zinc/13/83/82/819138382.db2.gz MAVHODRMVOVPQT-CYBMUJFWSA-N 1 1 272.392 3.425 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(F)c(OCC)c2)C1 ZINC001235803750 819172606 /nfs/dbraw/zinc/17/26/06/819172606.db2.gz UMDZWKAXBGKASG-ZDUSSCGKSA-N 1 1 261.340 3.070 20 30 CGEDMO C[C@H](c1ccccc1)[N@@H+](CCO)Cc1cccc(C#N)c1 ZINC001236147106 819346693 /nfs/dbraw/zinc/34/66/93/819346693.db2.gz NUOAQAXMBSYACE-OAHLLOKOSA-N 1 1 280.371 3.114 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+](C)C2(C)CCNCC2)CC1 ZINC001236222413 819388876 /nfs/dbraw/zinc/38/88/76/819388876.db2.gz IDWIJEKKNZISEP-MRXNPFEDSA-N 1 1 262.441 3.363 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+](C)C2(C)CCNCC2)CC1 ZINC001236222413 819388881 /nfs/dbraw/zinc/38/88/81/819388881.db2.gz IDWIJEKKNZISEP-MRXNPFEDSA-N 1 1 262.441 3.363 20 30 CGEDMO CCOc1ncc(C[N@H+](C)Cc2ccc(C#N)cc2)cc1F ZINC001236695132 819575032 /nfs/dbraw/zinc/57/50/32/819575032.db2.gz SNHJRFYKMXZZRF-UHFFFAOYSA-N 1 1 299.349 3.123 20 30 CGEDMO CCOc1ncc(C[N@@H+](C)Cc2ccc(C#N)cc2)cc1F ZINC001236695132 819575037 /nfs/dbraw/zinc/57/50/37/819575037.db2.gz SNHJRFYKMXZZRF-UHFFFAOYSA-N 1 1 299.349 3.123 20 30 CGEDMO C#CC1CC[NH+](Cc2ccc(O)cc2OC(F)(F)F)CC1 ZINC001236733786 819585262 /nfs/dbraw/zinc/58/52/62/819585262.db2.gz NPLWVRGPPJSREJ-UHFFFAOYSA-N 1 1 299.292 3.136 20 30 CGEDMO CCC[N@@H+](C)Cc1ccc(C#N)c(Br)c1 ZINC001236854284 819623070 /nfs/dbraw/zinc/62/30/70/819623070.db2.gz HZSXJSUCAHETHO-UHFFFAOYSA-N 1 1 267.170 3.163 20 30 CGEDMO N#CCC1C[NH+](Cc2ccc(-c3ccccc3F)nc2)C1 ZINC001236986642 819640563 /nfs/dbraw/zinc/64/05/63/819640563.db2.gz VZELUWUHHXGUSW-UHFFFAOYSA-N 1 1 281.334 3.233 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(O)cc3ccccc32)C1 ZINC001237073688 819660730 /nfs/dbraw/zinc/66/07/30/819660730.db2.gz KRGKSPSWNRUZPX-CQSZACIVSA-N 1 1 265.356 3.391 20 30 CGEDMO N#Cc1cccc(CCC[N@H+](C2CCC2)[C@H]2CCCNC2)c1 ZINC001237143942 819676319 /nfs/dbraw/zinc/67/63/19/819676319.db2.gz HVGUZWQYQQLCQP-IBGZPJMESA-N 1 1 297.446 3.097 20 30 CGEDMO N#Cc1cccc(CCC[N@@H+](C2CCC2)[C@H]2CCCNC2)c1 ZINC001237143942 819676322 /nfs/dbraw/zinc/67/63/22/819676322.db2.gz HVGUZWQYQQLCQP-IBGZPJMESA-N 1 1 297.446 3.097 20 30 CGEDMO COc1cccc(C[N@@H+]2CCC[C@@H](C#N)CC2)c1Cl ZINC001237193378 819694084 /nfs/dbraw/zinc/69/40/84/819694084.db2.gz JYTAUUCYLCIRQF-GFCCVEGCSA-N 1 1 278.783 3.474 20 30 CGEDMO COc1cccc(C[N@H+]2CCC[C@@H](C#N)CC2)c1Cl ZINC001237193378 819694089 /nfs/dbraw/zinc/69/40/89/819694089.db2.gz JYTAUUCYLCIRQF-GFCCVEGCSA-N 1 1 278.783 3.474 20 30 CGEDMO CC(C)(C)C(=O)Nc1ccccc1C[NH+]1CCC(C#N)CC1 ZINC001237395898 819744278 /nfs/dbraw/zinc/74/42/78/819744278.db2.gz LNRTXAHYSXSIFI-UHFFFAOYSA-N 1 1 299.418 3.407 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2ccc(F)c3cccnc23)CC1 ZINC001237425341 819747988 /nfs/dbraw/zinc/74/79/88/819747988.db2.gz GRKMDEMCLKGMKO-ZDUSSCGKSA-N 1 1 283.350 3.500 20 30 CGEDMO Cn1cc(C[N@@H+](C)Cc2ccccn2)c2cc(C#N)ccc21 ZINC001237465474 819757681 /nfs/dbraw/zinc/75/76/81/819757681.db2.gz ISEPQDIMCUUWMA-UHFFFAOYSA-N 1 1 290.370 3.077 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2cn(C)c3ccc(C#N)cc23)C1 ZINC001237466284 819757974 /nfs/dbraw/zinc/75/79/74/819757974.db2.gz LZMNLVKIHMQYDI-CYBMUJFWSA-N 1 1 267.376 3.282 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cn(C)c3ccc(C#N)cc23)C2(CC2)C1 ZINC001237472314 819759192 /nfs/dbraw/zinc/75/91/92/819759192.db2.gz GGVIJVXSZRZMID-CYBMUJFWSA-N 1 1 279.387 3.424 20 30 CGEDMO CC[N@@H+](Cc1ccc(F)cc1)Cc1ccnc(C#N)c1 ZINC001237467494 819759222 /nfs/dbraw/zinc/75/92/22/819759222.db2.gz WAARBQCNQSBMCF-UHFFFAOYSA-N 1 1 269.323 3.114 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](c3ccccn3)C2)c(F)cc1F ZINC001237527507 819771674 /nfs/dbraw/zinc/77/16/74/819771674.db2.gz VFPNMKLBFVVVNN-GFCCVEGCSA-N 1 1 299.324 3.221 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@@H](c3ccccn3)C2)c(F)cc1F ZINC001237527507 819771681 /nfs/dbraw/zinc/77/16/81/819771681.db2.gz VFPNMKLBFVVVNN-GFCCVEGCSA-N 1 1 299.324 3.221 20 30 CGEDMO CC[C@H]1CCC[N@H+](Cc2cc(C#N)c(F)cc2F)C1 ZINC001237528386 819772744 /nfs/dbraw/zinc/77/27/44/819772744.db2.gz AKBAVWHLIPVJLP-NSHDSACASA-N 1 1 264.319 3.458 20 30 CGEDMO CC[C@H]1CCC[N@@H+](Cc2cc(C#N)c(F)cc2F)C1 ZINC001237528386 819772752 /nfs/dbraw/zinc/77/27/52/819772752.db2.gz AKBAVWHLIPVJLP-NSHDSACASA-N 1 1 264.319 3.458 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c(Cl)c1 ZINC001238080687 819926811 /nfs/dbraw/zinc/92/68/11/819926811.db2.gz UGYHXBYQWFJZOI-GOEBONIOSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1cc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)ccc1Cl ZINC001238198704 819955228 /nfs/dbraw/zinc/95/52/28/819955228.db2.gz MLYQPISWILGWQB-OBJOEFQTSA-N 1 1 264.731 3.144 20 30 CGEDMO CCc1cc(C[N@H+]2CCC[C@@](C)(O)[C@@H](C)C2)ccc1C#N ZINC001238765621 820111112 /nfs/dbraw/zinc/11/11/12/820111112.db2.gz GLOMUJFCHUTBMC-KBXCAEBGSA-N 1 1 286.419 3.104 20 30 CGEDMO CCc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OC)ccc1C#N ZINC001238773774 820114822 /nfs/dbraw/zinc/11/48/22/820114822.db2.gz DBWRFDDOWNBHGA-CEXWTWQISA-N 1 1 298.430 3.368 20 30 CGEDMO CCCCCCCCCCOC(=O)NCC1(F)C[NH2+]C1 ZINC001239316726 820264112 /nfs/dbraw/zinc/26/41/12/820264112.db2.gz GPXYSGBADFCDIL-UHFFFAOYSA-N 1 1 288.407 3.165 20 30 CGEDMO COc1ccc(-c2[nH+]c(C)cc3[nH]ccc32)c(C#N)c1 ZINC001243723871 823501367 /nfs/dbraw/zinc/50/13/67/823501367.db2.gz BXPMSAIVCOMGTH-UHFFFAOYSA-N 1 1 263.300 3.419 20 30 CGEDMO C[N@@H+]1CCC=C(c2cc(OC3CCC3)cc(F)c2C#N)C1 ZINC001241570879 821957218 /nfs/dbraw/zinc/95/72/18/821957218.db2.gz PLYLGYOMXIOSEH-UHFFFAOYSA-N 1 1 286.350 3.348 20 30 CGEDMO C[N@H+]1CCC=C(c2cc(OC3CCC3)cc(F)c2C#N)C1 ZINC001241570879 821957223 /nfs/dbraw/zinc/95/72/23/821957223.db2.gz PLYLGYOMXIOSEH-UHFFFAOYSA-N 1 1 286.350 3.348 20 30 CGEDMO Cc1cc(N)[nH+]cc1-c1cc(C#C[Si](C)(C)C)ccn1 ZINC001242077286 822335683 /nfs/dbraw/zinc/33/56/83/822335683.db2.gz CUKSXNHWCJKXJI-UHFFFAOYSA-N 1 1 281.435 3.263 20 30 CGEDMO C#CC[N@@H+](Cc1coc(-c2ccccc2)n1)CC1CC1 ZINC001341585550 936443346 /nfs/dbraw/zinc/44/33/46/936443346.db2.gz CZVOGYIQIBMICL-UHFFFAOYSA-N 1 1 266.344 3.187 20 30 CGEDMO C#CC[N@H+](Cc1coc(-c2ccccc2)n1)CC1CC1 ZINC001341585550 936443350 /nfs/dbraw/zinc/44/33/50/936443350.db2.gz CZVOGYIQIBMICL-UHFFFAOYSA-N 1 1 266.344 3.187 20 30 CGEDMO C#CCC[N@@H+](C)CCCNC(=O)CC1CCC(C)(C)CC1 ZINC001479818319 936541159 /nfs/dbraw/zinc/54/11/59/936541159.db2.gz WFKGVWOYPUPKNU-UHFFFAOYSA-N 1 1 292.467 3.054 20 30 CGEDMO C[C@H](C[C@@H]1CCCC[N@H+]1C)OC(=O)c1csc(C#N)c1 ZINC001345158395 936804783 /nfs/dbraw/zinc/80/47/83/936804783.db2.gz CGPLJEYPVZBFFN-YPMHNXCESA-N 1 1 292.404 3.039 20 30 CGEDMO C=C(CC(C)C)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001346452701 936849312 /nfs/dbraw/zinc/84/93/12/936849312.db2.gz XQNLNDYAMAPXJG-WBVHZDCISA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(CC)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC001349002093 936941676 /nfs/dbraw/zinc/94/16/76/936941676.db2.gz BNFMJJHYMVZUAY-UKRRQHHQSA-N 1 1 292.448 3.213 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H](C[N@@H+](C)CC=C(C)C)C1 ZINC001480073219 937005945 /nfs/dbraw/zinc/00/59/45/937005945.db2.gz RKTCIHBBEACRLI-MRXNPFEDSA-N 1 1 278.440 3.089 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)/C(C)=C/CC)C1 ZINC001480246541 937040996 /nfs/dbraw/zinc/04/09/96/937040996.db2.gz YLTBKAQXJIWMMW-NHKNYXOTSA-N 1 1 278.440 3.137 20 30 CGEDMO COc1ccc2[nH]c3c(c2c1)CC[N@H+](C[C@@H](C)CCC#N)C3 ZINC001353605099 937072217 /nfs/dbraw/zinc/07/22/17/937072217.db2.gz QFBGCFUDZYACLH-ZDUSSCGKSA-N 1 1 297.402 3.474 20 30 CGEDMO COc1ccc2[nH]c3c(c2c1)CC[N@@H+](C[C@@H](C)CCC#N)C3 ZINC001353605099 937072219 /nfs/dbraw/zinc/07/22/19/937072219.db2.gz QFBGCFUDZYACLH-ZDUSSCGKSA-N 1 1 297.402 3.474 20 30 CGEDMO C[C@@H](Nc1cccnc1C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001354157506 937092545 /nfs/dbraw/zinc/09/25/45/937092545.db2.gz QZCLXBASXQRFKT-KGLIPLIRSA-N 1 1 284.407 3.018 20 30 CGEDMO N#CCOc1ccc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC001354238100 937095754 /nfs/dbraw/zinc/09/57/54/937095754.db2.gz VMNSMQMDELCCHY-IRXDYDNUSA-N 1 1 285.391 3.018 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN1CCC[C@@H]([NH+](C)C)CC1 ZINC001354711889 937110894 /nfs/dbraw/zinc/11/08/94/937110894.db2.gz UDTZRBOFJREIAM-QGZVFWFLSA-N 1 1 285.435 3.091 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)[C@@H]1C[C@@]1(C)C(C)C ZINC001481010123 926857637 /nfs/dbraw/zinc/85/76/37/926857637.db2.gz UADUEPSXJXMOSX-RDJZCZTQSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1C=CCCC1 ZINC001481044650 926871205 /nfs/dbraw/zinc/87/12/05/926871205.db2.gz CEZDTQSNRCCGAE-HUUCEWRRSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1C=CCCC1 ZINC001481044650 926871217 /nfs/dbraw/zinc/87/12/17/926871217.db2.gz CEZDTQSNRCCGAE-HUUCEWRRSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(C)CC[N@H+](CCNC(=O)C[C@@H]1CC[C@H](C)C1)C1CC1 ZINC001481181849 926904308 /nfs/dbraw/zinc/90/43/08/926904308.db2.gz KCQGYKHRABOKFM-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)C[C@H]1CC[C@@H](C)C1)C(C)C ZINC001481353510 926964669 /nfs/dbraw/zinc/96/46/69/926964669.db2.gz JRRUWHZGQKOVEW-CVEARBPZSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C/Cl ZINC001481384171 926971833 /nfs/dbraw/zinc/97/18/33/926971833.db2.gz DAMYWIYFWIGWBR-XUXSDCKNSA-N 1 1 296.842 3.016 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C/Cl ZINC001481384171 926971836 /nfs/dbraw/zinc/97/18/36/926971836.db2.gz DAMYWIYFWIGWBR-XUXSDCKNSA-N 1 1 296.842 3.016 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CC=CCC2)C1 ZINC001481390153 926976495 /nfs/dbraw/zinc/97/64/95/926976495.db2.gz LXPDSXITVCRCBW-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@H]2C=CCCC2)C1 ZINC001481489245 927001545 /nfs/dbraw/zinc/00/15/45/927001545.db2.gz NONKENAIHKSSMS-IRXDYDNUSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(C3CC3)c2)C1 ZINC001481510624 927008554 /nfs/dbraw/zinc/00/85/54/927008554.db2.gz ZRCPCCSQLXLBKX-OAHLLOKOSA-N 1 1 298.430 3.144 20 30 CGEDMO C=CC(C)(C)C(=O)NC1C[NH+]([C@@H](C)c2ccccc2C)C1 ZINC001481575851 927027386 /nfs/dbraw/zinc/02/73/86/927027386.db2.gz DDGBNLACLOXQIZ-AWEZNQCLSA-N 1 1 286.419 3.069 20 30 CGEDMO CCCNc1nc(N[C@H]2CC[C@H](C#N)CC2)[nH+]cc1C ZINC001167840984 927030542 /nfs/dbraw/zinc/03/05/42/927030542.db2.gz LRAFIVVJRXGGBC-JOCQHMNTSA-N 1 1 273.384 3.101 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)CCCC2CCCCC2)C1 ZINC001481695669 927064688 /nfs/dbraw/zinc/06/46/88/927064688.db2.gz NLYJEMGQPREREP-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H](C)CC(C)C)C1 ZINC001481747246 927077795 /nfs/dbraw/zinc/07/77/95/927077795.db2.gz NYRYZDMJZYBJKY-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](N(CC)C(=O)/C=C(/C)CC)C1 ZINC001481766825 927084468 /nfs/dbraw/zinc/08/44/68/927084468.db2.gz QPHLWAYYAXJDHH-FWLQQBITSA-N 1 1 284.831 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](N(CC)C(=O)/C=C(/C)CC)C1 ZINC001481766825 927084485 /nfs/dbraw/zinc/08/44/85/927084485.db2.gz QPHLWAYYAXJDHH-FWLQQBITSA-N 1 1 284.831 3.018 20 30 CGEDMO C=C(C)CCC(=O)N(CC)[C@H]1CC[N@@H+](CCC(=C)C)C1 ZINC001481769694 927085664 /nfs/dbraw/zinc/08/56/64/927085664.db2.gz VKJOHFSNLUDSHJ-INIZCTEOSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[C@@H]2C)C1 ZINC001481772696 927086612 /nfs/dbraw/zinc/08/66/12/927086612.db2.gz ZESCWDMRVTWURU-BBWFWOEESA-N 1 1 292.467 3.312 20 30 CGEDMO C#Cc1ccc(C(=O)N(C)CC[N@H+](C)[C@H](C)CCC=C)cc1 ZINC001482617289 927325989 /nfs/dbraw/zinc/32/59/89/927325989.db2.gz ARGKSVJRXAZBIZ-MRXNPFEDSA-N 1 1 298.430 3.026 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)c1ccc(Cl)c(C)c1 ZINC001482624415 927330296 /nfs/dbraw/zinc/33/02/96/927330296.db2.gz NKQCHYPXNINIFD-UHFFFAOYSA-N 1 1 294.826 3.228 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)c1sccc1C ZINC001483303825 927476417 /nfs/dbraw/zinc/47/64/17/927476417.db2.gz GLGFVXHASZTXOQ-ZIAGYGMSSA-N 1 1 294.464 3.461 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(F)cc1 ZINC001483341293 927486301 /nfs/dbraw/zinc/48/63/01/927486301.db2.gz BSJDGAIPPSJHIT-AWEZNQCLSA-N 1 1 292.398 3.119 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)C(=C)C ZINC001483368626 927489923 /nfs/dbraw/zinc/48/99/23/927489923.db2.gz DBILCZNOFCJHTE-HUUCEWRRSA-N 1 1 280.456 3.380 20 30 CGEDMO C=CC[N@H+](C)C[C@H](C)NC(=O)C/C=C/c1ccc(C)cc1 ZINC001483431370 927505398 /nfs/dbraw/zinc/50/53/98/927505398.db2.gz SMJQRRYLZGGGRG-MOEXGYKKSA-N 1 1 286.419 3.021 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C)C(CC)CC ZINC001483662415 927562169 /nfs/dbraw/zinc/56/21/69/927562169.db2.gz UYYGTXADRZPBKH-GOEBONIOSA-N 1 1 280.456 3.215 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]1CNC(=O)C1CC2(CC2)C1 ZINC001483678882 927569139 /nfs/dbraw/zinc/56/91/39/927569139.db2.gz CYFXMYBDCSKWBZ-INIZCTEOSA-N 1 1 292.467 3.338 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)CCCC1CCCC1 ZINC001483705580 927581028 /nfs/dbraw/zinc/58/10/28/927581028.db2.gz IPVMUWMIEYEIHB-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO N#Cc1ccc(Cl)c(Cl)c1O[C@H]1C[NH+]2CCC1CC2 ZINC001234428056 927595721 /nfs/dbraw/zinc/59/57/21/927595721.db2.gz MPNIYNXNUJSMGH-LBPRGKRZSA-N 1 1 297.185 3.338 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)c2ccccc2)C1 ZINC001484026332 927665015 /nfs/dbraw/zinc/66/50/15/927665015.db2.gz DHNCSPUHJCXFRO-CRAIPNDOSA-N 1 1 286.419 3.236 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)C[C@H]2CC=CCC2)C1 ZINC001484169689 927687276 /nfs/dbraw/zinc/68/72/76/927687276.db2.gz ZHIQEELVTHABBV-WMZOPIPTSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H](C)CC ZINC001484457050 927705889 /nfs/dbraw/zinc/70/58/89/927705889.db2.gz RNXZRUKCWILEDR-BRWVUGGUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCCCC ZINC001484453351 927707007 /nfs/dbraw/zinc/70/70/07/927707007.db2.gz MVHZPVLUFUSVEC-HOTGVXAUSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC=C(C)C ZINC001484462142 927708425 /nfs/dbraw/zinc/70/84/25/927708425.db2.gz LRRXCJXKRMXWSG-SJORKVTESA-N 1 1 290.451 3.374 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC1CC1 ZINC001484464311 927709445 /nfs/dbraw/zinc/70/94/45/927709445.db2.gz UMUGGWNKPSAPHE-SJORKVTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@H+](C)Cc1ccccc1CNC(=O)c1ccc(C)o1 ZINC001484553037 927720664 /nfs/dbraw/zinc/72/06/64/927720664.db2.gz LZZIYITXOPVFFF-UHFFFAOYSA-N 1 1 298.386 3.136 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@H](C)[C@H](C)CC ZINC001484761439 927752876 /nfs/dbraw/zinc/75/28/76/927752876.db2.gz GDPAGGGBYFBXBI-HUUCEWRRSA-N 1 1 268.445 3.025 20 30 CGEDMO C#CCC[N@H+](C)CCCN(C)C(=O)[C@H]1CCCC[C@@H]1CC ZINC001484763797 927753095 /nfs/dbraw/zinc/75/30/95/927753095.db2.gz TWGBCRPIAVSYSB-IRXDYDNUSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)CC)C(C)(C)C1 ZINC001484937346 927774570 /nfs/dbraw/zinc/77/45/70/927774570.db2.gz MSWBPOQOJPZRMX-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)C(C)C)C[C@@H]1C ZINC001484967516 927777083 /nfs/dbraw/zinc/77/70/83/927777083.db2.gz LRYCYBGVRHYOBS-HOTGVXAUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)CSCCC ZINC001485051404 927797243 /nfs/dbraw/zinc/79/72/43/927797243.db2.gz NFHKRIUWZYFEJK-OAHLLOKOSA-N 1 1 298.496 3.019 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C1(CC)CC1 ZINC001485069088 927799673 /nfs/dbraw/zinc/79/96/73/927799673.db2.gz LQWBAOVFVYYVHG-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)c1cccc2cc[nH]c21 ZINC001485354374 927850721 /nfs/dbraw/zinc/85/07/21/927850721.db2.gz VXTIOEIHTGJIEX-CQSZACIVSA-N 1 1 299.418 3.184 20 30 CGEDMO C#CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H](CC)CC1CCCC1 ZINC001485357216 927854690 /nfs/dbraw/zinc/85/46/90/927854690.db2.gz QTGPYVKJZFDLQU-DOTOQJQBSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCN(C)CC[N@@H+](CC)CCO[C@H]1CCCC[C@@H]1C ZINC001473432487 937198992 /nfs/dbraw/zinc/19/89/92/937198992.db2.gz UBQGSKANDLUALG-IRXDYDNUSA-N 1 1 282.472 3.021 20 30 CGEDMO C=CC[N@@H+](C)CCN(CC)CCO[C@H]1CCCC[C@@H]1C ZINC001473432487 937198993 /nfs/dbraw/zinc/19/89/93/937198993.db2.gz UBQGSKANDLUALG-IRXDYDNUSA-N 1 1 282.472 3.021 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)CCO[C@H]1CCCC[C@@H]1C ZINC001473432487 937198994 /nfs/dbraw/zinc/19/89/94/937198994.db2.gz UBQGSKANDLUALG-IRXDYDNUSA-N 1 1 282.472 3.021 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H]1CCCCC[N@@H+]1CC[C@@H](C)F ZINC001485480574 927880504 /nfs/dbraw/zinc/88/05/04/927880504.db2.gz PTTLFWKWNWMLTA-HUUCEWRRSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)C1CCCC1 ZINC001485484798 927882138 /nfs/dbraw/zinc/88/21/38/927882138.db2.gz LNRVXNUXLDWNKX-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](NC(=O)C2(CC=C)CCC2)C(C)(C)C1 ZINC001485575748 927892780 /nfs/dbraw/zinc/89/27/80/927892780.db2.gz SBOQWLBGZUHINW-OAHLLOKOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[C@H]2C[N@H+](CC(C)C)C[C@H]2C1 ZINC001485654412 927896072 /nfs/dbraw/zinc/89/60/72/927896072.db2.gz AZMHDOVBAVORCD-ARFHVFGLSA-N 1 1 292.467 3.071 20 30 CGEDMO CC#CC[N@H+](C)C1CCN(C(=O)[C@H](CC)CCCC)CC1 ZINC001485753540 927914008 /nfs/dbraw/zinc/91/40/08/927914008.db2.gz KSSGRVGCZHLSPV-MRXNPFEDSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)CC[N@H+](C)C1CCN(C(=O)[C@@H]2CC[C@@H](C)C2)CC1 ZINC001485763718 927914962 /nfs/dbraw/zinc/91/49/62/927914962.db2.gz DSOQLGZRJLWSSD-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)[C@@H](CCC)C(C)C)CC1 ZINC001485764474 927917968 /nfs/dbraw/zinc/91/79/68/927917968.db2.gz RXLCMXYFZSGGAZ-INIZCTEOSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2C(C)C)CC1 ZINC001485765971 927919329 /nfs/dbraw/zinc/91/93/29/927919329.db2.gz TZEWNBWSLFXDBA-DLBZAZTESA-N 1 1 292.467 3.168 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(C(=O)OC)c(C)c2)C1 ZINC001474595630 937207348 /nfs/dbraw/zinc/20/73/48/937207348.db2.gz OBWXLKWGNKEFRL-HNNXBMFYSA-N 1 1 285.387 3.017 20 30 CGEDMO C=CCCC[N@H+]1CC[C@]2(NC(=O)C3CC=CC3)CCC[C@H]12 ZINC001486136461 927986673 /nfs/dbraw/zinc/98/66/73/927986673.db2.gz BEJPAMVIKICCSJ-FUHWJXTLSA-N 1 1 288.435 3.032 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)CCCCC)[C@H]1C ZINC001486163392 927992663 /nfs/dbraw/zinc/99/26/63/927992663.db2.gz HEOFJPSFSPWHGO-HUUCEWRRSA-N 1 1 266.429 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CCC2CCC2)[C@@H]1C ZINC001486168900 927992873 /nfs/dbraw/zinc/99/28/73/927992873.db2.gz ATMGWJINAYHSCF-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO CCC(CC)C[N@H+]1CCC[C@@H](NC(=O)C#CC(C)C)[C@@H]1C ZINC001486174330 927993003 /nfs/dbraw/zinc/99/30/03/927993003.db2.gz UOGSBJUTRBFPLA-DOTOQJQBSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CC[C@H](C)[N@@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001559543017 937210037 /nfs/dbraw/zinc/21/00/37/937210037.db2.gz KIAOELFXOGTBTB-MELADBBJSA-N 1 1 282.428 3.281 20 30 CGEDMO C#CCCCCCC(=O)N[C@H]1CCC[N@H+](CC(C)C)[C@H]1C ZINC001486182189 927997707 /nfs/dbraw/zinc/99/77/07/927997707.db2.gz XMZWDAJACGIMDY-IRXDYDNUSA-N 1 1 292.467 3.195 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3(COCC)C2)cc1 ZINC001144569672 928198314 /nfs/dbraw/zinc/19/83/14/928198314.db2.gz WLBFVVPLICZIAE-MOPGFXCFSA-N 1 1 283.415 3.307 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@]1(C)CC=C(C)CC1 ZINC001488693062 928292263 /nfs/dbraw/zinc/29/22/63/928292263.db2.gz ORSMXOJPBPZIOR-FUHWJXTLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)[C@H]1C ZINC001489276140 928324087 /nfs/dbraw/zinc/32/40/87/928324087.db2.gz WBWQJRBMFRPYGZ-FPCVCCKLSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CC(C)(C)C=C ZINC001489325721 928326884 /nfs/dbraw/zinc/32/68/84/928326884.db2.gz HZTDGIOYQUHFDL-HNNXBMFYSA-N 1 1 278.440 3.088 20 30 CGEDMO CC#CC[N@@H+](CC)CCCNC(=O)C[C@@H]1CCCC[C@@H]1C ZINC001490360891 928354710 /nfs/dbraw/zinc/35/47/10/928354710.db2.gz XDKQDMXRYGNFLQ-IRXDYDNUSA-N 1 1 292.467 3.054 20 30 CGEDMO CC#CC[N@@H+](CC)CCCNC(=O)C[C@H]1CCCC[C@H]1C ZINC001490360887 928354899 /nfs/dbraw/zinc/35/48/99/928354899.db2.gz XDKQDMXRYGNFLQ-IAGOWNOFSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](CCCC(C)C)C1 ZINC001490563644 928373414 /nfs/dbraw/zinc/37/34/14/928373414.db2.gz ULGRIIBCUGCAJH-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C)CCCC)C1 ZINC001490757559 928387623 /nfs/dbraw/zinc/38/76/23/928387623.db2.gz AOADIMBSOVVHNN-HOTGVXAUSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@](C)(F)CCCC ZINC001490793093 928389306 /nfs/dbraw/zinc/38/93/06/928389306.db2.gz BFSSHPIJCCFJLG-HLLBOEOZSA-N 1 1 296.430 3.156 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@](C)(F)CCCC ZINC001490793093 928389312 /nfs/dbraw/zinc/38/93/12/928389312.db2.gz BFSSHPIJCCFJLG-HLLBOEOZSA-N 1 1 296.430 3.156 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CCCC ZINC001490789876 928389564 /nfs/dbraw/zinc/38/95/64/928389564.db2.gz SGDKLHOJPRWVLX-OAGGEKHMSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)c1sccc1Cl ZINC001492959724 937244107 /nfs/dbraw/zinc/24/41/07/937244107.db2.gz ZNJYHKLVNFGNLF-UHFFFAOYSA-N 1 1 286.828 3.029 20 30 CGEDMO C#Cc1ccc(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c(Cl)c1 ZINC000885673345 928441227 /nfs/dbraw/zinc/44/12/27/928441227.db2.gz JBNXQDWCVSTQOX-RYUDHWBXSA-N 1 1 290.794 3.133 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1cc(OC)cc(C)n1 ZINC001460886294 928747947 /nfs/dbraw/zinc/74/79/47/928747947.db2.gz MPDQAGPPYLQVEV-HNNXBMFYSA-N 1 1 260.381 3.329 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H](CNC(=O)C[C@H]2CC=CCC2)C1 ZINC001493225217 928773842 /nfs/dbraw/zinc/77/38/42/928773842.db2.gz FVDCIYIEIQXOIS-DLBZAZTESA-N 1 1 290.451 3.137 20 30 CGEDMO N#C[C@H]1CC[C@@H]([NH2+]Cc2c(F)cc(Cl)cc2F)C1 ZINC001254643950 928779159 /nfs/dbraw/zinc/77/91/59/928779159.db2.gz SGWBQQZWGWOYQP-WCBMZHEXSA-N 1 1 270.710 3.400 20 30 CGEDMO C=CCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)C ZINC001490978262 928822823 /nfs/dbraw/zinc/82/28/23/928822823.db2.gz YYDPQYDSFZTSBE-MQVJKMGUSA-N 1 1 278.440 3.110 20 30 CGEDMO CCCCCCCCC(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC001454008375 937405969 /nfs/dbraw/zinc/40/59/69/937405969.db2.gz HOYUICQPBLZKKO-HNNXBMFYSA-N 1 1 268.445 3.338 20 30 CGEDMO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001453351602 937402270 /nfs/dbraw/zinc/40/22/70/937402270.db2.gz YWMDBDQSPZMZKT-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCCN(CC)C(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001456849898 937435789 /nfs/dbraw/zinc/43/57/89/937435789.db2.gz XRJCVDUQQQZCOO-ZNMIVQPWSA-N 1 1 266.429 3.062 20 30 CGEDMO C#CC[N@H+](CCC(=O)OCc1ccccc1)C1CCCCC1 ZINC001459394322 937487841 /nfs/dbraw/zinc/48/78/41/937487841.db2.gz VOKGLKGYWADGPP-UHFFFAOYSA-N 1 1 299.414 3.388 20 30 CGEDMO N#Cc1ccnc(C[N@H+](CCc2ccc(F)cc2)C2CC2)c1 ZINC001459560730 937491771 /nfs/dbraw/zinc/49/17/71/937491771.db2.gz JJZBDFGQRSUOFO-UHFFFAOYSA-N 1 1 295.361 3.299 20 30 CGEDMO C=CC[C@H](C(=O)OC)[N@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC001459635941 937494611 /nfs/dbraw/zinc/49/46/11/937494611.db2.gz SONFKSMNKLAPIS-HYVNUMGLSA-N 1 1 287.403 3.057 20 30 CGEDMO CCCCCCCC[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC001460018004 937511247 /nfs/dbraw/zinc/51/12/47/937511247.db2.gz NYQQUYKSUVTZRO-SFHVURJKSA-N 1 1 296.499 3.391 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CCN(C)Cc1ccccc1 ZINC001460040292 937512981 /nfs/dbraw/zinc/51/29/81/937512981.db2.gz FEMXUIHNCRPESZ-QGZVFWFLSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C[C@@H]1CCCCN1CC[N@@H+](C)Cc1ccccc1 ZINC001460040292 937512983 /nfs/dbraw/zinc/51/29/83/937512983.db2.gz FEMXUIHNCRPESZ-QGZVFWFLSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C[C@@H]1CCCCN1CC[N@H+](C)Cc1ccccc1 ZINC001460040292 937512986 /nfs/dbraw/zinc/51/29/86/937512986.db2.gz FEMXUIHNCRPESZ-QGZVFWFLSA-N 1 1 258.409 3.159 20 30 CGEDMO C[C@@H](C1CCCCC1)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC001460053146 937513569 /nfs/dbraw/zinc/51/35/69/937513569.db2.gz VPDUTZIOJSAHEA-KBXCAEBGSA-N 1 1 286.419 3.492 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCCO[C@H](C(C)C)C1 ZINC001460151314 937517958 /nfs/dbraw/zinc/51/79/58/937517958.db2.gz PNGGLCMRVGYIFB-SFHVURJKSA-N 1 1 286.419 3.422 20 30 CGEDMO C=C(C)C[N@H+]1[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1C ZINC001460297119 937525597 /nfs/dbraw/zinc/52/55/97/937525597.db2.gz NSFNGLYKQZCENV-RDBSUJKOSA-N 1 1 282.428 3.281 20 30 CGEDMO N#Cc1cccc([C@H](O)C[N@H+]2CC[C@H](C3CCCCC3)C2)c1 ZINC001460369155 937529762 /nfs/dbraw/zinc/52/97/62/937529762.db2.gz RTWHCLRGEOXOIC-RBUKOAKNSA-N 1 1 298.430 3.494 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1cccc(C#N)c1 ZINC001460748336 937542859 /nfs/dbraw/zinc/54/28/59/937542859.db2.gz MQEMHWGUFRFULL-LLVKDONJSA-N 1 1 299.305 3.456 20 30 CGEDMO CSCC[N@@H+](C)Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139406677 931952370 /nfs/dbraw/zinc/95/23/70/931952370.db2.gz ZSLKSHDHWRGVSR-UHFFFAOYSA-N 1 1 297.427 3.415 20 30 CGEDMO N#Cc1ccc2[nH]cc(C[N@@H+](CC3CC3)C3CC3)c2c1 ZINC001140116783 931955849 /nfs/dbraw/zinc/95/58/49/931955849.db2.gz HKCFNIHZAVYZEF-UHFFFAOYSA-N 1 1 265.360 3.414 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1ccnc(N(C)C)c1 ZINC001460886819 937551346 /nfs/dbraw/zinc/55/13/46/937551346.db2.gz RBLQDEMFTNOBGU-OAHLLOKOSA-N 1 1 259.397 3.078 20 30 CGEDMO C=CCCC[N@H+](CC)CCC(=O)Nc1ccc(C#N)cc1 ZINC001460903541 937551629 /nfs/dbraw/zinc/55/16/29/937551629.db2.gz XSBOHDDESCQYIL-UHFFFAOYSA-N 1 1 285.391 3.175 20 30 CGEDMO C[C@H]1CSCCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC001460914675 937552249 /nfs/dbraw/zinc/55/22/49/937552249.db2.gz KHNVCHWNGMGJIS-AWEZNQCLSA-N 1 1 290.432 3.155 20 30 CGEDMO Cc1ccc(C[N@H+]2CCCC[C@]23CCOC3)cc1C#N ZINC001460959375 937556396 /nfs/dbraw/zinc/55/63/96/937556396.db2.gz NCFGGCNRRPIQIU-QGZVFWFLSA-N 1 1 270.376 3.012 20 30 CGEDMO Cc1[nH+]c2ccccn2c1Nc1cccc(C#N)c1F ZINC001216413557 932019486 /nfs/dbraw/zinc/01/94/86/932019486.db2.gz SSOJTSCVJDFRPP-UHFFFAOYSA-N 1 1 266.279 3.397 20 30 CGEDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1cc(C#N)ccc1Cl ZINC001229249815 932123538 /nfs/dbraw/zinc/12/35/38/932123538.db2.gz AIEFMEVRHBCPIF-YWVIFJGQSA-N 1 1 290.794 3.321 20 30 CGEDMO C=CCOc1ccccc1O[C@H]1CCC[N@H+](CC)C1 ZINC001229612070 932178039 /nfs/dbraw/zinc/17/80/39/932178039.db2.gz SEKBJUOTVIMROC-AWEZNQCLSA-N 1 1 261.365 3.115 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)CCC(C)(C)C)CC1 ZINC001229671233 932186783 /nfs/dbraw/zinc/18/67/83/932186783.db2.gz ZFWZMMSLXXSBPJ-UHFFFAOYSA-N 1 1 286.847 3.146 20 30 CGEDMO N#Cc1csc(C[NH2+]Cc2ccc3occc3c2)n1 ZINC001461619975 937588870 /nfs/dbraw/zinc/58/88/70/937588870.db2.gz IZAUCIRHNPXXBP-UHFFFAOYSA-N 1 1 269.329 3.051 20 30 CGEDMO C=CC[N@@H+](CC(=O)OCC)C[C@@H]1CCCC(C)(C)C1 ZINC001461846065 937601054 /nfs/dbraw/zinc/60/10/54/937601054.db2.gz YTZWKRHWHMIOOL-CQSZACIVSA-N 1 1 267.413 3.254 20 30 CGEDMO C=CC[N@H+](CC(=O)OCC)C[C@@H]1CCCC(C)(C)C1 ZINC001461846065 937601056 /nfs/dbraw/zinc/60/10/56/937601056.db2.gz YTZWKRHWHMIOOL-CQSZACIVSA-N 1 1 267.413 3.254 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OC)cc1CC)CC1CC1 ZINC001461926028 937606811 /nfs/dbraw/zinc/60/68/11/937606811.db2.gz KLYIBGYXGOGKOL-UHFFFAOYSA-N 1 1 257.377 3.103 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC([C@H]2CCC[N@H+]2CC)CC1 ZINC001230586525 932592903 /nfs/dbraw/zinc/59/29/03/932592903.db2.gz AJGHYHRGNPPSSK-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)CC(C)(C)CC(=O)OCC ZINC001461996322 937611732 /nfs/dbraw/zinc/61/17/32/937611732.db2.gz DXPCUNNOKMHMKC-UHFFFAOYSA-N 1 1 293.407 3.290 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC1CCCC1 ZINC001230675868 932607113 /nfs/dbraw/zinc/60/71/13/932607113.db2.gz KHIZIBRDUBCBPG-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C)[C@@H](Oc2[nH+][nH]cc3nncc2-3)C1 ZINC001230897152 932637207 /nfs/dbraw/zinc/63/72/07/932637207.db2.gz ZOAWYZASYZZTHU-RISCZKNCSA-N 1 1 270.336 3.033 20 30 CGEDMO C=C[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+]1CC(=C)C)c1ccccc1 ZINC001316608218 932748114 /nfs/dbraw/zinc/74/81/14/932748114.db2.gz FWWAZUXJZIMVRO-ZWKOTPCHSA-N 1 1 298.430 3.065 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)C2CCCC2)C1 ZINC001491903908 932795310 /nfs/dbraw/zinc/79/53/10/932795310.db2.gz IKPROKMAXNBGQF-NVXWUHKLSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)CCC(=O)NCC[N@H+](C)[C@H](C)c1ccccc1C ZINC001492266691 932813843 /nfs/dbraw/zinc/81/38/43/932813843.db2.gz GZBRDWDVLYCJDU-MRXNPFEDSA-N 1 1 288.435 3.460 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](CCC)C1 ZINC001317202159 932819740 /nfs/dbraw/zinc/81/97/40/932819740.db2.gz FHSSHEQCPINFTO-DOTOQJQBSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@H](C)[NH2+]C/C(Cl)=C\Cl ZINC001317243025 932824240 /nfs/dbraw/zinc/82/42/40/932824240.db2.gz WJKRIASRVHVNKI-VUBLIPMDSA-N 1 1 293.238 3.002 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cc(OC)c(O)cc2Cl)C1 ZINC001462367238 937635799 /nfs/dbraw/zinc/63/57/99/937635799.db2.gz LDNPINFHIRUCPA-LBPRGKRZSA-N 1 1 293.794 3.290 20 30 CGEDMO CCCCN(O)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001306897577 932892526 /nfs/dbraw/zinc/89/25/26/932892526.db2.gz SUHRTGHEDVOFEB-INIZCTEOSA-N 1 1 290.407 3.059 20 30 CGEDMO CCCCN(O)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001306897577 932892532 /nfs/dbraw/zinc/89/25/32/932892532.db2.gz SUHRTGHEDVOFEB-INIZCTEOSA-N 1 1 290.407 3.059 20 30 CGEDMO C#C[C@H]1CC[C@H](Nc2[nH+]cnc3[nH]cc(CC)c32)CC1 ZINC001307201976 932928239 /nfs/dbraw/zinc/92/82/39/932928239.db2.gz SXOHLXXLQVNCKM-AULYBMBSSA-N 1 1 268.364 3.124 20 30 CGEDMO CC[C@H]1CC[N@@H+](CCOc2ccccc2C#N)[C@@H]1C ZINC001307703260 932989604 /nfs/dbraw/zinc/98/96/04/932989604.db2.gz QNVDXTPKTZBUFU-KGLIPLIRSA-N 1 1 258.365 3.057 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1c[nH]c(=O)c2ccccc12 ZINC001307732505 932993021 /nfs/dbraw/zinc/99/30/21/932993021.db2.gz OJYRSTYWBLIDFL-CQSZACIVSA-N 1 1 268.360 3.481 20 30 CGEDMO C#C[C@H]1CCC[N@H+](C[C@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC001307877958 933013548 /nfs/dbraw/zinc/01/35/48/933013548.db2.gz NANUEORGWPLTGY-NHYWBVRUSA-N 1 1 298.213 3.372 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1CC1CCCC1 ZINC001307888002 933015029 /nfs/dbraw/zinc/01/50/29/933015029.db2.gz XSKVGACQYAFBGE-JKSUJKDBSA-N 1 1 251.414 3.358 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1C1CC1)C1CSC1 ZINC001307918503 933019922 /nfs/dbraw/zinc/01/99/22/933019922.db2.gz JREPBDOYJKZEJB-UHFFFAOYSA-N 1 1 257.402 3.115 20 30 CGEDMO CC[C@]1(Cc2ccccc2)CCC[N@H+]1CCO[C@H](C)C#N ZINC001307919841 933020738 /nfs/dbraw/zinc/02/07/38/933020738.db2.gz XWJVEADFTNRNQX-SJLPKXTDSA-N 1 1 286.419 3.402 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCSC(F)(F)F ZINC001307950344 933023373 /nfs/dbraw/zinc/02/33/73/933023373.db2.gz VANVADISMIEJLZ-AOOOYVTPSA-N 1 1 251.317 3.422 20 30 CGEDMO Cc1ccc(C[C@]2(C)CCC[N@@H+]2CCO[C@H](C)C#N)cc1 ZINC001307972835 933028924 /nfs/dbraw/zinc/02/89/24/933028924.db2.gz SWMWNTHWMGNRCI-AEFFLSMTSA-N 1 1 286.419 3.321 20 30 CGEDMO C[C@@H](c1ccc2c(c1)CCC2)[N@@H+]1CCC[C@H](C#N)C1 ZINC001308064098 933042426 /nfs/dbraw/zinc/04/24/26/933042426.db2.gz MFHAJSKWXLXDKN-UONOGXRCSA-N 1 1 254.377 3.472 20 30 CGEDMO C[C@@H](c1ccc2c(c1)CCC2)[N@H+]1CCC[C@H](C#N)C1 ZINC001308064098 933042429 /nfs/dbraw/zinc/04/24/29/933042429.db2.gz MFHAJSKWXLXDKN-UONOGXRCSA-N 1 1 254.377 3.472 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC001308069260 933042445 /nfs/dbraw/zinc/04/24/45/933042445.db2.gz UPVHZZIJPZLUNT-LLVKDONJSA-N 1 1 251.732 3.324 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)C(C)C ZINC001308098414 933048754 /nfs/dbraw/zinc/04/87/54/933048754.db2.gz NRQFNBVDFKBYBA-UHFFFAOYSA-N 1 1 285.309 3.471 20 30 CGEDMO CC(C)[C@@H]1C[C@H](N2CCCC2)C[N@@H+]1Cc1ccc(C#N)cc1 ZINC001308151244 933058416 /nfs/dbraw/zinc/05/84/16/933058416.db2.gz KXSYXFLWPKPSQZ-OALUTQOASA-N 1 1 297.446 3.253 20 30 CGEDMO CC(C)[C@@H]1C[C@H](N2CCCC2)C[N@H+]1Cc1ccc(C#N)cc1 ZINC001308151244 933058420 /nfs/dbraw/zinc/05/84/20/933058420.db2.gz KXSYXFLWPKPSQZ-OALUTQOASA-N 1 1 297.446 3.253 20 30 CGEDMO CCc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(C#N)n1)CCO2 ZINC001308669561 933153955 /nfs/dbraw/zinc/15/39/55/933153955.db2.gz UGPZRTIQXRYPFT-QGZVFWFLSA-N 1 1 293.370 3.129 20 30 CGEDMO COc1cc(C[N@@H+](C)CCc2cccc(C#N)c2)ccc1F ZINC001308908658 933201757 /nfs/dbraw/zinc/20/17/57/933201757.db2.gz HWPOSDFCHORTLS-UHFFFAOYSA-N 1 1 298.361 3.380 20 30 CGEDMO Cc1ccc(C[NH2+]Cc2nc(Cl)cs2)cc1C#N ZINC001308935507 933207554 /nfs/dbraw/zinc/20/75/54/933207554.db2.gz UZNGXZKBLVESBK-UHFFFAOYSA-N 1 1 277.780 3.266 20 30 CGEDMO CCn1ccc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)n1 ZINC001308957513 933213010 /nfs/dbraw/zinc/21/30/10/933213010.db2.gz AALFQLHOSQAAIX-UHFFFAOYSA-N 1 1 294.402 3.154 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCO[C@@H](C(C)(C)C)CC2)cc1 ZINC001308984980 933222428 /nfs/dbraw/zinc/22/24/28/933222428.db2.gz UIGNHFPSGPVWJO-QGZVFWFLSA-N 1 1 271.404 3.305 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCNC(=O)[C@@H](C)C1CCCC1 ZINC001316860382 933245066 /nfs/dbraw/zinc/24/50/66/933245066.db2.gz UEIPYEAWDWUXCE-HNNXBMFYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)C(CC)CC ZINC001317503609 933292896 /nfs/dbraw/zinc/29/28/96/933292896.db2.gz QCGZUSQXOIEVRB-GOEBONIOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCCN(CC)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC001311691728 933309462 /nfs/dbraw/zinc/30/94/62/933309462.db2.gz ZTKUBVBPKZFFQD-HZPDHXFCSA-N 1 1 295.471 3.105 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)NCC[N@H+](CC)C(C)C ZINC001311839758 933319514 /nfs/dbraw/zinc/31/95/14/933319514.db2.gz WKXSZNZYUYZDEY-UHFFFAOYSA-N 1 1 283.460 3.008 20 30 CGEDMO C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCC[N@H+](CC)CCC ZINC001312158165 933340438 /nfs/dbraw/zinc/34/04/38/933340438.db2.gz RSKOIMBKAANEHY-CVEARBPZSA-N 1 1 295.471 3.152 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CC2(C)CCCC2)[C@H]1C ZINC001316781572 933480258 /nfs/dbraw/zinc/48/02/58/933480258.db2.gz MAKSLWQPPPTYLZ-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC001316783194 933481080 /nfs/dbraw/zinc/48/10/80/933481080.db2.gz KTPGIJDZLFEBSY-WBVHZDCISA-N 1 1 286.419 3.122 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)/C=C\C(C)(C)C ZINC001316804185 933483054 /nfs/dbraw/zinc/48/30/54/933483054.db2.gz WGXKPDAVXMPGHU-SNGWPZLWSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)C[N@@H+](C)CCCNC(=O)c1cscc1Cl ZINC001316831351 933485136 /nfs/dbraw/zinc/48/51/36/933485136.db2.gz YRNMOQPKXFYGHR-UHFFFAOYSA-N 1 1 286.828 3.029 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[N@H+](CC)CC(C)(C)C2)CCC1 ZINC001316811344 933486064 /nfs/dbraw/zinc/48/60/64/933486064.db2.gz MKXIYDIMQXCKLY-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+](CC)CCCNC(=O)[C@@H]1CCCC[C@H]1CC ZINC001316904228 933492685 /nfs/dbraw/zinc/49/26/85/933492685.db2.gz KAVBBKFWKFFLMO-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCCNC(=O)c1cc(C)[nH]c1C ZINC001316904383 933493087 /nfs/dbraw/zinc/49/30/87/933493087.db2.gz PJFFQIZNHQHKQC-UHFFFAOYSA-N 1 1 291.439 3.040 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)c1cc(C)cs1)C1CC1 ZINC001316917317 933493793 /nfs/dbraw/zinc/49/37/93/933493793.db2.gz JTXIGAZGLWPBNW-UHFFFAOYSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)CC[N@H+](CCCNC(=O)[C@H]1CC[C@@H](C)C1)C1CC1 ZINC001316925099 933494291 /nfs/dbraw/zinc/49/42/91/933494291.db2.gz KGZFPSUVDCWXTR-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)c1ccc(CC)cc1)C1CC1 ZINC001316926735 933497956 /nfs/dbraw/zinc/49/79/56/933497956.db2.gz MFXZCDKGGQWSFH-UHFFFAOYSA-N 1 1 286.419 3.019 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2ccsc2)C1 ZINC001316985045 933506475 /nfs/dbraw/zinc/50/64/75/933506475.db2.gz CKEVXWOSIMDNHJ-ZFWWWQNUSA-N 1 1 292.448 3.008 20 30 CGEDMO CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)CC(CC)CC)C1 ZINC001317040575 933517970 /nfs/dbraw/zinc/51/79/70/933517970.db2.gz RGNLKPKUQBVBLA-QGZVFWFLSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)/C(C)=C/CC)C1 ZINC001317036463 933517994 /nfs/dbraw/zinc/51/79/94/933517994.db2.gz VDAGKCNKJOAQKH-HTRKUNOGSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)/C=C(\C)CC)C1 ZINC001317036853 933519590 /nfs/dbraw/zinc/51/95/90/933519590.db2.gz IXPSYGVPOPYCJF-HJUDDPQBSA-N 1 1 292.467 3.479 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCCC)C1 ZINC001317100219 933531967 /nfs/dbraw/zinc/53/19/67/933531967.db2.gz HHZRRVWXHJWAPF-LSDHHAIUSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCCC)C1 ZINC001317100219 933531975 /nfs/dbraw/zinc/53/19/75/933531975.db2.gz HHZRRVWXHJWAPF-LSDHHAIUSA-N 1 1 298.858 3.242 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)/C=C(/C)CC)C1 ZINC001317131915 933538003 /nfs/dbraw/zinc/53/80/03/933538003.db2.gz UOOPEHGEYNGGPC-IRVMHKCDSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H]1CNC(=O)C1CCCCC1 ZINC001317491058 933602035 /nfs/dbraw/zinc/60/20/35/933602035.db2.gz FACHSUZXDNOIGN-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@](C)(F)CCCC ZINC001317502893 933604984 /nfs/dbraw/zinc/60/49/84/933604984.db2.gz LFXGQNLPFJIMKF-HOCLYGCPSA-N 1 1 284.419 3.062 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cccs2)C1 ZINC001317517094 933609505 /nfs/dbraw/zinc/60/95/05/933609505.db2.gz JVASYUXKVYJTIS-KBPBESRZSA-N 1 1 292.448 3.155 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)CC2CCCC2)C1 ZINC001317517169 933610680 /nfs/dbraw/zinc/61/06/80/933610680.db2.gz KMCBFAAJRHDKDY-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[N@H+](CCC)CCNC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001317543713 933614079 /nfs/dbraw/zinc/61/40/79/933614079.db2.gz SRCWNIHLVRGEAN-KFWWJZLASA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+](CCC)CCNC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001317543713 933614088 /nfs/dbraw/zinc/61/40/88/933614088.db2.gz SRCWNIHLVRGEAN-KFWWJZLASA-N 1 1 298.858 3.003 20 30 CGEDMO C=CC[N@H+](CCNC(=O)c1ccc(CCC)cc1)C1CC1 ZINC001317556194 933621016 /nfs/dbraw/zinc/62/10/16/933621016.db2.gz DBFBCLPQHWVORV-UHFFFAOYSA-N 1 1 286.419 3.019 20 30 CGEDMO C=C1CC(C)(C(=O)NCCC[N@H+](C[C@@H](F)CC)C(C)C)C1 ZINC001317700232 933633702 /nfs/dbraw/zinc/63/37/02/933633702.db2.gz OEKJPJNXVXDWEL-HNNXBMFYSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2ccoc2)C1 ZINC001317774376 933646604 /nfs/dbraw/zinc/64/66/04/933646604.db2.gz HUAPVVFPISLUJU-LSDHHAIUSA-N 1 1 290.407 3.076 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)CCC2CCC2)C1 ZINC001317832797 933657412 /nfs/dbraw/zinc/65/74/12/933657412.db2.gz MVPFKDRAYIKKAW-QGZVFWFLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@@H](C[N@@H+](C)CCC(=C)C)C1 ZINC001317840354 933657422 /nfs/dbraw/zinc/65/74/22/933657422.db2.gz QSJBFRZCJVGCFM-INIZCTEOSA-N 1 1 278.440 3.089 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)C2(C)CCCCC2)C1 ZINC001317855615 933658538 /nfs/dbraw/zinc/65/85/38/933658538.db2.gz XQTJTUVFXQSPDY-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](CC)CCC)C1 ZINC001317856718 933658704 /nfs/dbraw/zinc/65/87/04/933658704.db2.gz JFGNQLUNMXREDO-HZPDHXFCSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)C2(F)CCCC2)C1 ZINC001317975723 933672014 /nfs/dbraw/zinc/67/20/14/933672014.db2.gz QOPJUNDYARLNSR-CABCVRRESA-N 1 1 296.430 3.204 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H](CC)CCCC)C1 ZINC001318345498 933711777 /nfs/dbraw/zinc/71/17/77/933711777.db2.gz VBJZDRWPKKWJRQ-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC(C)(C)CC(=O)N(C)[C@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001318405732 933721261 /nfs/dbraw/zinc/72/12/61/933721261.db2.gz AKSSDANJHJVLFH-HNNXBMFYSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C1CC(C)(C(=O)N(C)[C@H]2CC[N@@H+](CCCCCF)C2)C1 ZINC001318428623 933723956 /nfs/dbraw/zinc/72/39/56/933723956.db2.gz LCHLUFPGUQGSBZ-HNNXBMFYSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC(CC=C)C(=O)N(CC)[C@@H]1CC[N@H+](CCC)C1 ZINC001318471473 933732608 /nfs/dbraw/zinc/73/26/08/933732608.db2.gz RBMWCGPMGHVDLL-MRXNPFEDSA-N 1 1 278.440 3.088 20 30 CGEDMO CC1(C)C[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1(C)C ZINC001319107383 933826665 /nfs/dbraw/zinc/82/66/65/933826665.db2.gz NPKBQJUGVXOTNL-UHFFFAOYSA-N 1 1 299.418 3.054 20 30 CGEDMO CC1(C)C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1(C)C ZINC001319107383 933826670 /nfs/dbraw/zinc/82/66/70/933826670.db2.gz NPKBQJUGVXOTNL-UHFFFAOYSA-N 1 1 299.418 3.054 20 30 CGEDMO C=CC(C)(C)CCNC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC001467673425 937720710 /nfs/dbraw/zinc/72/07/10/937720710.db2.gz CABSWVCDEDDJNH-CABCVRRESA-N 1 1 295.471 3.151 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)[C@@H]1CCCC[C@@H]1C1CC1 ZINC001467728759 937721597 /nfs/dbraw/zinc/72/15/97/937721597.db2.gz OVEVMTIXQGTDPT-IAGOWNOFSA-N 1 1 292.467 3.169 20 30 CGEDMO C#CC[N@@H+](Cc1c(F)cccc1N1CCCC1)CC1CC1 ZINC001319729717 933923924 /nfs/dbraw/zinc/92/39/24/933923924.db2.gz ZFXNEEDBIHOSCT-UHFFFAOYSA-N 1 1 286.394 3.271 20 30 CGEDMO C#CC[N@H+](Cc1c(F)cccc1N1CCCC1)CC1CC1 ZINC001319729717 933923936 /nfs/dbraw/zinc/92/39/36/933923936.db2.gz ZFXNEEDBIHOSCT-UHFFFAOYSA-N 1 1 286.394 3.271 20 30 CGEDMO C#CCOCC[N@@H+](C)CCCOc1ccc2ccccc2c1 ZINC001319772630 933931442 /nfs/dbraw/zinc/93/14/42/933931442.db2.gz ACUNHHFLSLBFNB-UHFFFAOYSA-N 1 1 297.398 3.190 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc([C@@H]3C[C@@H]3C)o2)C1 ZINC001320084567 933995152 /nfs/dbraw/zinc/99/51/52/933995152.db2.gz BJPNDXVIHSWJEL-GZBFAFLISA-N 1 1 261.365 3.180 20 30 CGEDMO C#CCC1(C(=O)N(C)CC[N@H+](C)CC(C)C)CCCCC1 ZINC001320090738 933996886 /nfs/dbraw/zinc/99/68/86/933996886.db2.gz PJUMGHONMDIXEZ-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCCCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCC(=C)C)C1 ZINC001320110031 934001404 /nfs/dbraw/zinc/00/14/04/934001404.db2.gz DQPREALBZKIMFS-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)CCCC(C)C)CC[C@H]21 ZINC001320113469 934004153 /nfs/dbraw/zinc/00/41/53/934004153.db2.gz YETWBDJJXALBLU-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](CCCSCC(C)C)C1 ZINC001320322176 934029273 /nfs/dbraw/zinc/02/92/73/934029273.db2.gz RYSCTZRNOFASBT-CQSZACIVSA-N 1 1 257.443 3.043 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](CCCSCC(C)C)C1 ZINC001320322175 934029408 /nfs/dbraw/zinc/02/94/08/934029408.db2.gz RYSCTZRNOFASBT-AWEZNQCLSA-N 1 1 257.443 3.043 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC001321445729 934184368 /nfs/dbraw/zinc/18/43/68/934184368.db2.gz HTOBXWSUQRZVQC-SWLSCSKDSA-N 1 1 278.783 3.406 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)c1ccc(C)o1 ZINC001322259451 934264526 /nfs/dbraw/zinc/26/45/26/934264526.db2.gz XJJWANDISOUTDK-ZFWWWQNUSA-N 1 1 292.423 3.094 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H](C)C[N@@H+](C)Cc1ccsc1 ZINC001322258641 934264614 /nfs/dbraw/zinc/26/46/14/934264614.db2.gz PBJXXTAVAWRAHX-CYBMUJFWSA-N 1 1 294.464 3.287 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](CC)CC(C)C ZINC001323334541 934385406 /nfs/dbraw/zinc/38/54/06/934385406.db2.gz ICJBKQYKWPZIJX-CVEARBPZSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](CC)CC(C)C ZINC001323334546 934385572 /nfs/dbraw/zinc/38/55/72/934385572.db2.gz ICJBKQYKWPZIJX-JKSUJKDBSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CC[N@H+](Cc1cccc2cccnc21)CC1CC1 ZINC001323332417 934387265 /nfs/dbraw/zinc/38/72/65/934387265.db2.gz ZAUFDWJGIMSXRK-UHFFFAOYSA-N 1 1 250.345 3.080 20 30 CGEDMO C#CCOCC[N@H+](C)[C@H](C)c1ccc(Br)cc1 ZINC001324102224 934459778 /nfs/dbraw/zinc/45/97/78/934459778.db2.gz PPYWHSOUSGLQSP-GFCCVEGCSA-N 1 1 296.208 3.092 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(=C)C ZINC001324537628 934520798 /nfs/dbraw/zinc/52/07/98/934520798.db2.gz KVVVSACNVGIUSQ-BBWFWOEESA-N 1 1 290.451 3.230 20 30 CGEDMO C=CC[C@@H]([NH2+]CCC1CCCCC1)C(=O)OCC ZINC001324623891 934534036 /nfs/dbraw/zinc/53/40/36/934534036.db2.gz CPVULWDWXGHYGF-CQSZACIVSA-N 1 1 253.386 3.054 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@](C)(NC(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001324662861 934544474 /nfs/dbraw/zinc/54/44/74/934544474.db2.gz WXLCHVUNFLBDKJ-CRAIPNDOSA-N 1 1 292.467 3.053 20 30 CGEDMO CCC#C[C@H](C)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001473193119 937796606 /nfs/dbraw/zinc/79/66/06/937796606.db2.gz LLKCABVOPZYZRS-HKUYNNGSSA-N 1 1 284.447 3.242 20 30 CGEDMO CCC#C[C@H](C)[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001473193119 937796613 /nfs/dbraw/zinc/79/66/13/937796613.db2.gz LLKCABVOPZYZRS-HKUYNNGSSA-N 1 1 284.447 3.242 20 30 CGEDMO CCC#C[C@H](C)[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001473193119 937796615 /nfs/dbraw/zinc/79/66/15/937796615.db2.gz LLKCABVOPZYZRS-HKUYNNGSSA-N 1 1 284.447 3.242 20 30 CGEDMO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1cc(C#N)ccn1 ZINC001473213658 937797551 /nfs/dbraw/zinc/79/75/51/937797551.db2.gz VZOMVIZPNYVILB-KSSFIOAISA-N 1 1 277.371 3.331 20 30 CGEDMO C=C(Cl)CN1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC001473281858 937799874 /nfs/dbraw/zinc/79/98/74/937799874.db2.gz CPMXPXIZLXLRBB-CABCVRRESA-N 1 1 278.827 3.334 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1CC1(CC#N)CC1 ZINC001473283662 937800172 /nfs/dbraw/zinc/80/01/72/937800172.db2.gz SKDXDOCUMLLRNS-DLBZAZTESA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1CN(Cc2ccccc2)[C@@H](C)C[N@@H+]1CC1(CC#N)CC1 ZINC001473283662 937800174 /nfs/dbraw/zinc/80/01/74/937800174.db2.gz SKDXDOCUMLLRNS-DLBZAZTESA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1CN(Cc2ccccc2)[C@@H](C)C[N@H+]1CC1(CC#N)CC1 ZINC001473283662 937800175 /nfs/dbraw/zinc/80/01/75/937800175.db2.gz SKDXDOCUMLLRNS-DLBZAZTESA-N 1 1 297.446 3.275 20 30 CGEDMO C#CCC[NH+]1CCN(Cc2c(C)c(C)c(C)c(C)c2C)CC1 ZINC001473351860 937803013 /nfs/dbraw/zinc/80/30/13/937803013.db2.gz CLBQQCYDXRKCFU-UHFFFAOYSA-N 1 1 298.474 3.370 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)C2=CCCC2)C1 ZINC001324925668 934872687 /nfs/dbraw/zinc/87/26/87/934872687.db2.gz CTFQFNKXEWAILN-MRXNPFEDSA-N 1 1 296.842 3.068 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)C2=CCCC2)C1 ZINC001324925668 934872691 /nfs/dbraw/zinc/87/26/91/934872691.db2.gz CTFQFNKXEWAILN-MRXNPFEDSA-N 1 1 296.842 3.068 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCC ZINC001325899911 934938396 /nfs/dbraw/zinc/93/83/96/934938396.db2.gz OBVUZXFQWYBVIB-CVEARBPZSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCCCC ZINC001325915547 934939000 /nfs/dbraw/zinc/93/90/00/934939000.db2.gz DGIFTPWXKRGRCP-HZPDHXFCSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](CCC)C(C)C ZINC001325925381 934939613 /nfs/dbraw/zinc/93/96/13/934939613.db2.gz ZRWZHWZCHGKBKO-BRWVUGGUSA-N 1 1 292.467 3.310 20 30 CGEDMO CN(C)c1cccc(Cl)c1C=[NH+]OCC1CC1 ZINC001326194275 934957927 /nfs/dbraw/zinc/95/79/27/934957927.db2.gz UEOMZWKGFLCKKR-UHFFFAOYSA-N 1 1 252.745 3.167 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1SCC)C1CSC1 ZINC001473629896 937815024 /nfs/dbraw/zinc/81/50/24/937815024.db2.gz KDKDEAREOADFAV-UHFFFAOYSA-N 1 1 277.458 3.349 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1SCC)C1CSC1 ZINC001473629896 937815026 /nfs/dbraw/zinc/81/50/26/937815026.db2.gz KDKDEAREOADFAV-UHFFFAOYSA-N 1 1 277.458 3.349 20 30 CGEDMO C=CC[N@H+](CCCc1cccc(C)c1)[C@@H](C)COC ZINC001473636684 937815501 /nfs/dbraw/zinc/81/55/01/937815501.db2.gz GYAVHJFLOBXQFM-INIZCTEOSA-N 1 1 261.409 3.451 20 30 CGEDMO Cc1ncsc1CCC[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC001473707001 937818049 /nfs/dbraw/zinc/81/80/49/937818049.db2.gz GJZYIWGBBAGFLP-QWHCGFSZSA-N 1 1 263.410 3.008 20 30 CGEDMO Cc1ccccc1OCCC[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC001473705359 937818176 /nfs/dbraw/zinc/81/81/76/937818176.db2.gz AJKDCHCPJNQLNM-HZPDHXFCSA-N 1 1 272.392 3.388 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C(=C)C)CC1 ZINC001327142946 935035506 /nfs/dbraw/zinc/03/55/06/935035506.db2.gz LBWGAZGRZZNPTC-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1CCC[N@@H+](CC(=C)C)CC1 ZINC001327147353 935036305 /nfs/dbraw/zinc/03/63/05/935036305.db2.gz NZXHYTSKQTXHLY-RDJZCZTQSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CCC[N@H+](CC)CC2)CCCC1 ZINC001327171972 935040349 /nfs/dbraw/zinc/04/03/49/935040349.db2.gz IEGDPMIMXHNCBZ-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccccc2OCC(C)C)C1 ZINC001327938366 935100242 /nfs/dbraw/zinc/10/02/42/935100242.db2.gz FGWIEPPHFWAZGZ-QGZVFWFLSA-N 1 1 289.419 3.498 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2(CC)CCC2)C[C@@H]1C ZINC001328265638 935127009 /nfs/dbraw/zinc/12/70/09/935127009.db2.gz CEFMGJRMZGQRFO-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)CCCCCC(C)C)C[C@H]1C ZINC001328279510 935127806 /nfs/dbraw/zinc/12/78/06/935127806.db2.gz OQZQZWDFIKNLFG-IAGOWNOFSA-N 1 1 292.467 3.195 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2(CF)CCC2)C[C@H]1C ZINC001328278953 935127860 /nfs/dbraw/zinc/12/78/60/935127860.db2.gz LHPDHTOFUCIXBO-CABCVRRESA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@@H](C=C)CC ZINC001328754022 935166184 /nfs/dbraw/zinc/16/61/84/935166184.db2.gz YRACJDDXRLLFFQ-HOTGVXAUSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CC(C)=C(C)C ZINC001328751965 935166686 /nfs/dbraw/zinc/16/66/86/935166686.db2.gz CVWPOIAWNCLULU-INIZCTEOSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccc(C=C)cc1 ZINC001328766454 935167363 /nfs/dbraw/zinc/16/73/63/935167363.db2.gz SBDDFSPOIGRIGN-KRWDZBQOSA-N 1 1 284.403 3.052 20 30 CGEDMO C=CCCC(=O)NC[C@H](C)[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC001329397183 935211567 /nfs/dbraw/zinc/21/15/67/935211567.db2.gz OGIUXFKQXXDCGM-KBPBESRZSA-N 1 1 292.398 3.289 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)c1sccc1Cl ZINC001329452169 935216842 /nfs/dbraw/zinc/21/68/42/935216842.db2.gz YNOPCLXDXNFYAF-SNVBAGLBSA-N 1 1 286.828 3.028 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)C2(CC(C)C)CCC2)C(C)(C)C1 ZINC001330208183 935276801 /nfs/dbraw/zinc/27/68/01/935276801.db2.gz DFXCRPYZYFSHER-HNNXBMFYSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC(C)C)C[C@@H]2C1 ZINC001330447235 935288646 /nfs/dbraw/zinc/28/86/46/935288646.db2.gz SADSNXNEQASNOQ-RRFJBIMHSA-N 1 1 298.858 3.002 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2csc(C)c2C)C1 ZINC001330641202 935307750 /nfs/dbraw/zinc/30/77/50/935307750.db2.gz RVKCLEQTXQKFIQ-CQSZACIVSA-N 1 1 251.395 3.142 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC001331470416 935382986 /nfs/dbraw/zinc/38/29/86/935382986.db2.gz WDFJLEXXPUUXIV-KRWDZBQOSA-N 1 1 290.451 3.256 20 30 CGEDMO CC[C@@H](C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccccc1 ZINC001331585415 935396458 /nfs/dbraw/zinc/39/64/58/935396458.db2.gz UCSPYJHAYGERBD-BBWFWOEESA-N 1 1 285.435 3.098 20 30 CGEDMO C=C(C)CCC(=O)N[C@]12CCC[C@@H]1[N@@H+](CC(=C)C)CC2 ZINC001332090678 935438598 /nfs/dbraw/zinc/43/85/98/935438598.db2.gz MUMCSFGMSLZYJO-RDJZCZTQSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1CCC[N@H+](CCC)[C@H]1C ZINC001332186465 935447211 /nfs/dbraw/zinc/44/72/11/935447211.db2.gz TWTVSSVPYIHIIU-GOEBONIOSA-N 1 1 278.440 3.134 20 30 CGEDMO C[C@@H](CC[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccccc1 ZINC001332718769 935484408 /nfs/dbraw/zinc/48/44/08/935484408.db2.gz UMLQOMJKXHQQSN-YESZJQIVSA-N 1 1 285.435 3.098 20 30 CGEDMO CC(C)C[C@@H](CO)[N@@H+](C)CCCCC1(C#N)CCC1 ZINC001332920936 935498058 /nfs/dbraw/zinc/49/80/58/935498058.db2.gz DQGNWIRCGYDHTP-HNNXBMFYSA-N 1 1 266.429 3.189 20 30 CGEDMO CO[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)CC[C@@H]1C ZINC001332992452 935502933 /nfs/dbraw/zinc/50/29/33/935502933.db2.gz FLALEKPIUURQNS-LSDHHAIUSA-N 1 1 264.413 3.207 20 30 CGEDMO N#CC1CCC(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)CC1 ZINC001333158877 935515233 /nfs/dbraw/zinc/51/52/33/935515233.db2.gz XCMYUCUYBRNJOX-HTAVTVPLSA-N 1 1 260.303 3.201 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](CCc2nsc3ccccc23)C1 ZINC001333585652 935549423 /nfs/dbraw/zinc/54/94/23/935549423.db2.gz FBFZOALLTZDVSI-ZDUSSCGKSA-N 1 1 288.416 3.116 20 30 CGEDMO C=C1CCC(C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)CC1 ZINC001333734971 936060122 /nfs/dbraw/zinc/06/01/22/936060122.db2.gz UEZQOMHXSVXVSP-UHFFFAOYSA-N 1 1 296.374 3.261 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(C(F)(F)F)nc1N(C)C ZINC001333762120 936063977 /nfs/dbraw/zinc/06/39/77/936063977.db2.gz LMDDPVJJGVMOIN-UHFFFAOYSA-N 1 1 287.329 3.174 20 30 CGEDMO C=C[C@@H](COC)[NH2+]Cc1csc(-c2ccc(C)cc2)n1 ZINC001338094946 936306107 /nfs/dbraw/zinc/30/61/07/936306107.db2.gz UAERDLTYUPQGLP-AWEZNQCLSA-N 1 1 288.416 3.409 20 30 CGEDMO CC1(C)C[N@@H+](C[C@@H](O)c2cccc(C#N)c2)[C@@H]2CCC[C@@H]21 ZINC001473862978 937825757 /nfs/dbraw/zinc/82/57/57/937825757.db2.gz PYPUGDRYURIERE-GVDBMIGSSA-N 1 1 284.403 3.102 20 30 CGEDMO Cn1c[nH+]c2c1ccc1c2CCCN1CCCCC#N ZINC001473881810 937826972 /nfs/dbraw/zinc/82/69/72/937826972.db2.gz MIVRQHPPDFMUTR-UHFFFAOYSA-N 1 1 268.364 3.020 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1cc(Cl)ccc1OCC ZINC001474642860 937872341 /nfs/dbraw/zinc/87/23/41/937872341.db2.gz JKMBMKLLEXJLDI-UHFFFAOYSA-N 1 1 295.810 3.210 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CCCCC)C[C@@H]2C1 ZINC001479662329 937923525 /nfs/dbraw/zinc/92/35/25/937923525.db2.gz AUTPETRIBWRGCH-CABCVRRESA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCCC)C[C@@H]2C1 ZINC001479662329 937923527 /nfs/dbraw/zinc/92/35/27/937923527.db2.gz AUTPETRIBWRGCH-CABCVRRESA-N 1 1 298.858 3.100 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)CC)C[C@@H]2C1 ZINC001479670392 937923893 /nfs/dbraw/zinc/92/38/93/937923893.db2.gz VRLNXGJLOGTLIA-CVEARBPZSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[C@@H](C)CCC ZINC001479733476 937923992 /nfs/dbraw/zinc/92/39/92/937923992.db2.gz UCZQIEATUFKUSZ-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](CC)CC(C)C ZINC001479738459 937924722 /nfs/dbraw/zinc/92/47/22/937924722.db2.gz DAMMCLCZJGMSNY-IRXDYDNUSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCCC[C@H]1C[N@@H+](C)C(C)C ZINC001479739091 937924952 /nfs/dbraw/zinc/92/49/52/937924952.db2.gz SRHSCHRQJKBKHI-HOTGVXAUSA-N 1 1 280.456 3.310 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C(=C)C)C1 ZINC001479908886 937928751 /nfs/dbraw/zinc/92/87/51/937928751.db2.gz UIVIBEFGTNCVPJ-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001479963296 937930419 /nfs/dbraw/zinc/93/04/19/937930419.db2.gz YBBUYCKFBADFEQ-SJLPKXTDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)/C(C)=C/CC)C1 ZINC001480070866 937931827 /nfs/dbraw/zinc/93/18/27/937931827.db2.gz BEJPHTBAKZUBPE-WPBGYSLVSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)/C=C\C(C)(C)C)C1 ZINC001480248173 937934903 /nfs/dbraw/zinc/93/49/03/937934903.db2.gz KAYWCUGGQSTHJC-SNGWPZLWSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC001480245753 937935128 /nfs/dbraw/zinc/93/51/28/937935128.db2.gz BPZHGISHVVBXOH-QGZVFWFLSA-N 1 1 292.467 3.361 20 30 CGEDMO CC/C=C(/C)C(=O)N[C@@H]1[C@H]2C[N@H+](CCCCCCC)C[C@H]21 ZINC001480389514 937938064 /nfs/dbraw/zinc/93/80/64/937938064.db2.gz BRFOAGXVVYJVKI-SKCJGJQFSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@H]1CCC[N@@H+]1CC=C(C)C ZINC001493107109 937947222 /nfs/dbraw/zinc/94/72/22/937947222.db2.gz KRLBHBZAPUKVGQ-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H]1CNC(=O)CC1=CCCCC1 ZINC001493083564 937947288 /nfs/dbraw/zinc/94/72/88/937947288.db2.gz JPIMSUCEBVZYSB-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)CC1(C)CCCCC1 ZINC001493304281 937948892 /nfs/dbraw/zinc/94/88/92/937948892.db2.gz KDXRLQPOYPGJCL-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)C(CC)(CC)CC)C1 ZINC001493252090 937949218 /nfs/dbraw/zinc/94/92/18/937949218.db2.gz YOAXJLODLPWZTG-HNNXBMFYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@@H+](CCC)CCNC(=O)c1cc(C)cc(F)c1 ZINC001493330518 937949628 /nfs/dbraw/zinc/94/96/28/937949628.db2.gz RDYDJQRDCFBYEN-UHFFFAOYSA-N 1 1 292.398 3.152 20 30 CGEDMO CC#CC[N@@H+](CCCNC(=O)[C@@H]1CCCC[C@H]1C)C(C)C ZINC001493870380 937951641 /nfs/dbraw/zinc/95/16/41/937951641.db2.gz JLRKBDKPDRKXDP-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO CCCN(C(=O)C#CC(C)C)[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC001493945639 937952493 /nfs/dbraw/zinc/95/24/93/937952493.db2.gz AIYVGYBMUMKBSR-QGZVFWFLSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H](CCNC(=O)c2ccccc2)C1 ZINC001493983655 937952874 /nfs/dbraw/zinc/95/28/74/937952874.db2.gz LVGGYLDSBOGSHK-INIZCTEOSA-N 1 1 286.419 3.095 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)C(CC)CC)C1 ZINC001493990055 937952909 /nfs/dbraw/zinc/95/29/09/937952909.db2.gz HWBPDTDFIWZWPR-ZDUSSCGKSA-N 1 1 286.847 3.003 20 30 CGEDMO C=C/C(C)=C/CC(=O)NCC[C@H]1CC[N@@H+](CC(=C)Cl)C1 ZINC001494047373 937952951 /nfs/dbraw/zinc/95/29/51/937952951.db2.gz FPURXSXHKAMFRB-WQPBDQAGSA-N 1 1 296.842 3.090 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001494776236 937956257 /nfs/dbraw/zinc/95/62/57/937956257.db2.gz NRSLPCFEBGZCID-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC1(C(=O)N(C)[C@H]2CC[N@H+](C[C@@H](F)CC)C2)CCC1 ZINC001494849431 937956758 /nfs/dbraw/zinc/95/67/58/937956758.db2.gz YWEAYYKYHUKGPR-GJZGRUSLSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCCC[N@H+]1CCC2(C1)CCN(C(=O)C1CCC1)CC2 ZINC001495596526 937959938 /nfs/dbraw/zinc/95/99/38/937959938.db2.gz VLUVIKUWCSEVRL-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@]2(CCN(C(=O)CCC3CC3)C2)C1 ZINC001499598138 937974089 /nfs/dbraw/zinc/97/40/89/937974089.db2.gz RKRDLYZUXZOKST-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCCCC(=O)N[C@@]1(C)CC[N@H+]([C@H](C)CCC=C)C1 ZINC001500254626 937976682 /nfs/dbraw/zinc/97/66/82/937976682.db2.gz UZPRRKSDJQFXHX-WBVHZDCISA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCCCC(=O)N[C@]1(C)CC[N@H+]([C@@H](C)CCC=C)C1 ZINC001500254623 937976752 /nfs/dbraw/zinc/97/67/52/937976752.db2.gz UZPRRKSDJQFXHX-DOTOQJQBSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)C2CCC=CCC2)C1 ZINC001500552820 937978043 /nfs/dbraw/zinc/97/80/43/937978043.db2.gz MLGHXQYSRCDHMT-SFHVURJKSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC(C)C ZINC001501372783 937979328 /nfs/dbraw/zinc/97/93/28/937979328.db2.gz DEMNMIRWSAMQPJ-DLBZAZTESA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC(C)C ZINC001501374406 937979357 /nfs/dbraw/zinc/97/93/57/937979357.db2.gz QYZOWAZVBLLYAH-CVEARBPZSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccccc1CNC(=O)CC ZINC001501658009 937980024 /nfs/dbraw/zinc/98/00/24/937980024.db2.gz GCCHYLKBMVASCD-UHFFFAOYSA-N 1 1 274.408 3.111 20 30 CGEDMO C=C/C(C)=C/CC(=O)N[C@H]1CCC[N@H+](CCC(=C)C)CC1 ZINC001502131952 937981246 /nfs/dbraw/zinc/98/12/46/937981246.db2.gz KETPWWJNSJOCPU-BDBSJLECSA-N 1 1 290.451 3.446 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](CCC)C(C)C)CC1 ZINC001502139018 937981332 /nfs/dbraw/zinc/98/13/32/937981332.db2.gz ZOKLAFJLUYIPKY-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CCCC2CC2)CC1 ZINC001502132789 937981413 /nfs/dbraw/zinc/98/14/13/937981413.db2.gz YVRLRBDAUPGDBX-OAHLLOKOSA-N 1 1 298.858 3.290 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCC12CC2 ZINC001502345401 937981866 /nfs/dbraw/zinc/98/18/66/937981866.db2.gz CVBUYBOYLFNLFY-CQSZACIVSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCN(C)C(=O)[C@H]1CCCC12CC2 ZINC001502345401 937981867 /nfs/dbraw/zinc/98/18/67/937981867.db2.gz CVBUYBOYLFNLFY-CQSZACIVSA-N 1 1 298.858 3.100 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C)CCC)C2 ZINC001502540886 937982640 /nfs/dbraw/zinc/98/26/40/937982640.db2.gz IJJVDMDWIYIPNC-AEFFLSMTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[N@H+](CC(C)C)CC1(C)C ZINC001502832348 937983313 /nfs/dbraw/zinc/98/33/13/937983313.db2.gz PMKFJWBPXWZZJY-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)CCC)C(C)(C)C1 ZINC001502820180 937983402 /nfs/dbraw/zinc/98/34/02/937983402.db2.gz IDKWRQMTWBEEHO-HOTGVXAUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)CC)C[C@@H]1C ZINC001502967107 937984138 /nfs/dbraw/zinc/98/41/38/937984138.db2.gz HDTHFUQOOKRLRG-GJZGRUSLSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)CC[N@H+](CC)CC1CCN(C(=O)C=C(C)C)CC1 ZINC001505394060 937985009 /nfs/dbraw/zinc/98/50/09/937985009.db2.gz UFTXZTNXABTCLM-UHFFFAOYSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)Cc1ccsc1 ZINC001505862015 937987417 /nfs/dbraw/zinc/98/74/17/937987417.db2.gz RXERESWCJDMRIL-KBPBESRZSA-N 1 1 294.464 3.082 20 30 CGEDMO C=C1CCC(C(=O)NC[C@H](C)[N@@H+](C)CCCCCF)CC1 ZINC001505995368 937988510 /nfs/dbraw/zinc/98/85/10/937988510.db2.gz YBEXVVIXMNCQJC-HNNXBMFYSA-N 1 1 298.446 3.309 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1ccc(F)s1 ZINC001506069951 937989291 /nfs/dbraw/zinc/98/92/91/937989291.db2.gz ZEORJKHURDHYCJ-NWDGAFQWSA-N 1 1 298.427 3.292 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](CCCC)CC1(C)C ZINC001506739597 937991517 /nfs/dbraw/zinc/99/15/17/937991517.db2.gz HNGPUDMWUARJOU-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CCC(=O)N[C@]12CCC[C@H]1[N@@H+](CC[C@H](C)F)CC2 ZINC001507347646 937995176 /nfs/dbraw/zinc/99/51/76/937995176.db2.gz ZTBQXKKMCFZGRA-UXLLHSPISA-N 1 1 296.430 3.204 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@H](CC)CCC)CCC[C@H]12 ZINC001507353143 937995309 /nfs/dbraw/zinc/99/53/09/937995309.db2.gz SZGAVNKYAQZFGD-HLLBOEOZSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)[C@H](C)[C@H](C)C(C)(C)C)CC1 ZINC001508225579 937998793 /nfs/dbraw/zinc/99/87/93/937998793.db2.gz TWJVPKYHYUOERW-CABCVRRESA-N 1 1 292.467 3.239 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)[C@@]2(C)CCC[C@@H]2C)CC1 ZINC001508222660 937998821 /nfs/dbraw/zinc/99/88/21/937998821.db2.gz ZVGZNXXCBCKUDG-YJBOKZPZSA-N 1 1 290.451 3.137 20 30 CGEDMO CCCCCCCCCC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC001522272596 938036171 /nfs/dbraw/zinc/03/61/71/938036171.db2.gz OPAZZYPRMNZHLA-CVEARBPZSA-N 1 1 280.456 3.290 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)c1c(C)cc(C)cc1C ZINC001556465903 938203915 /nfs/dbraw/zinc/20/39/15/938203915.db2.gz BAAACSOMEMOZLV-UHFFFAOYSA-N 1 1 288.435 3.192 20 30 CGEDMO C=CC[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CCC)C1 ZINC001557407878 938209767 /nfs/dbraw/zinc/20/97/67/938209767.db2.gz UHGSXIIKHXVGQZ-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO CN(CC[N@@H+](C)C1CCCCC1)c1cc(F)ccc1C#N ZINC001559082276 938219957 /nfs/dbraw/zinc/21/99/57/938219957.db2.gz IAVUKJQDQLENFJ-UHFFFAOYSA-N 1 1 289.398 3.398 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2c(F)ccc(C)c2F)C1 ZINC001559675297 938232501 /nfs/dbraw/zinc/23/25/01/938232501.db2.gz FQSIXIMKQAPSBP-GFCCVEGCSA-N 1 1 267.319 3.050 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2c(F)ccc(C)c2F)C1 ZINC001559675297 938232502 /nfs/dbraw/zinc/23/25/02/938232502.db2.gz FQSIXIMKQAPSBP-GFCCVEGCSA-N 1 1 267.319 3.050 20 30 CGEDMO C[C@@H]([NH2+]Cc1cncc(C#N)c1)c1cccc(F)c1F ZINC001559703223 938233315 /nfs/dbraw/zinc/23/33/15/938233315.db2.gz PTDDPTQHJDBIDD-SNVBAGLBSA-N 1 1 273.286 3.082 20 30 CGEDMO Cc1ccccc1CC[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC001559863210 938237419 /nfs/dbraw/zinc/23/74/19/938237419.db2.gz RNFZGYZGFNRBQP-LJQANCHMSA-N 1 1 294.398 3.075 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@@H]([C@H]2CCCC2(C)C)C1 ZINC001559935689 938239277 /nfs/dbraw/zinc/23/92/77/938239277.db2.gz QTXAJXMYZHMVLB-OWCLPIDISA-N 1 1 265.441 3.462 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cnc(N(C)C)c3ccccc23)C1 ZINC001559947555 938239636 /nfs/dbraw/zinc/23/96/36/938239636.db2.gz WKLRPTRSUPEIBK-HNNXBMFYSA-N 1 1 293.414 3.146 20 30 CGEDMO C#CC[N@H+](C[C@@H](OC(C)C)c1ccccc1)C(C)C ZINC001560164607 938245678 /nfs/dbraw/zinc/24/56/78/938245678.db2.gz FOWRSBTXUYBQHC-QGZVFWFLSA-N 1 1 259.393 3.496 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H]1COc1ccc(F)cc1 ZINC001560179677 938246226 /nfs/dbraw/zinc/24/62/26/938246226.db2.gz RQNLILFIFUATHR-ZDUSSCGKSA-N 1 1 269.747 3.421 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1COc1ccc(F)cc1 ZINC001560179677 938246227 /nfs/dbraw/zinc/24/62/27/938246227.db2.gz RQNLILFIFUATHR-ZDUSSCGKSA-N 1 1 269.747 3.421 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CCC(C)(C)[C@H](c2ccccc2)C1 ZINC001560180850 938246536 /nfs/dbraw/zinc/24/65/36/938246536.db2.gz HGNMPURQNLKERY-IRXDYDNUSA-N 1 1 273.420 3.439 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1ccc(C(=O)OC)s1 ZINC001560200142 938246833 /nfs/dbraw/zinc/24/68/33/938246833.db2.gz NSIWAUOUPHUWBE-GFCCVEGCSA-N 1 1 279.405 3.465 20 30 CGEDMO C#C[C@H]1CCCC[N@@H+]1C[C@H](O)c1cccc2ccccc21 ZINC001560209491 938247389 /nfs/dbraw/zinc/24/73/89/938247389.db2.gz OGQOHSPMLSUPCM-LPHOPBHVSA-N 1 1 279.383 3.361 20 30 CGEDMO COc1cc(C[NH2+][C@@H](C)CC#N)cc2ccccc21 ZINC001560574879 938263665 /nfs/dbraw/zinc/26/36/65/938263665.db2.gz OPJNFIPZCXINNT-LBPRGKRZSA-N 1 1 254.333 3.240 20 30 CGEDMO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)c1cccc(C#N)c1 ZINC001560589482 938263955 /nfs/dbraw/zinc/26/39/55/938263955.db2.gz QSNRUIIGWWENFX-SNVBAGLBSA-N 1 1 288.297 3.393 20 30 CGEDMO C=CCC[C@H]([NH2+][C@@H](C)CC1CCCC1)C(=O)OCC ZINC001560836786 938278844 /nfs/dbraw/zinc/27/88/44/938278844.db2.gz FJSIEZKBZKJMEK-ZFWWWQNUSA-N 1 1 267.413 3.443 20 30 CGEDMO C=CCC[C@H]([NH2+]C[C@H]1CCCC[C@@H]1C)C(=O)OCC ZINC001560837351 938278895 /nfs/dbraw/zinc/27/88/95/938278895.db2.gz OTJCXHKAQMKMDW-ZNMIVQPWSA-N 1 1 267.413 3.300 20 30 CGEDMO C=C(C)C[C@H]([NH2+]C[C@H](C)C1CCCCC1)C(=O)OC ZINC001560968360 938286936 /nfs/dbraw/zinc/28/69/36/938286936.db2.gz JHPWWGZYHCWAIV-ZFWWWQNUSA-N 1 1 267.413 3.300 20 30 CGEDMO C=CCCn1cc(C[N@H+]2CCC[C@H](C3CCC3)CC2)nn1 ZINC001560980502 938287701 /nfs/dbraw/zinc/28/77/01/938287701.db2.gz SZXUZNFAROCWAN-INIZCTEOSA-N 1 1 288.439 3.256 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)C=C(CC)CC)CC1 ZINC001486507510 957834517 /nfs/dbraw/zinc/83/45/17/957834517.db2.gz NKMCCRWLMIJIRP-UHFFFAOYSA-N 1 1 276.424 3.057 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)/C=C(\C)CC)CC1 ZINC001486506850 957835174 /nfs/dbraw/zinc/83/51/74/957835174.db2.gz QKZKMYXJSMYTIV-QJPKHSJYSA-N 1 1 290.451 3.446 20 30 CGEDMO CCCCCCCC[N@H+]1CCSC[C@@H]1CC(=O)OC ZINC001307582808 957840085 /nfs/dbraw/zinc/84/00/85/957840085.db2.gz IDYCKOWMMJXNAB-AWEZNQCLSA-N 1 1 287.469 3.327 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(CC(C)C)CCC1 ZINC001565822125 960840784 /nfs/dbraw/zinc/84/07/84/960840784.db2.gz YPYWGWUNSOASTO-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[N@H+](CCC=C)C[C@H]1c1ccccc1 ZINC001565880993 960859462 /nfs/dbraw/zinc/85/94/62/960859462.db2.gz KGTRYBFREYCKFP-ZWKOTPCHSA-N 1 1 298.430 3.113 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1cccc(C)c1 ZINC001566116784 960887478 /nfs/dbraw/zinc/88/74/78/960887478.db2.gz AWWPKNCYIGDQAJ-KRWDZBQOSA-N 1 1 286.419 3.108 20 30 CGEDMO C=CC[N@@H+](CC)CCCNC(=O)c1ccc(C(C)C)cc1 ZINC001566574217 960963566 /nfs/dbraw/zinc/96/35/66/960963566.db2.gz LXSYQJQVHOTDGP-UHFFFAOYSA-N 1 1 288.435 3.438 20 30 CGEDMO C=CC[N@@H+](CC)CCCNC(=O)c1ccsc1Cl ZINC001566568556 960966114 /nfs/dbraw/zinc/96/61/14/960966114.db2.gz RKOADHRBFRSFHI-UHFFFAOYSA-N 1 1 286.828 3.029 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccoc2Cl)C1 ZINC001566619956 960974210 /nfs/dbraw/zinc/97/42/10/960974210.db2.gz CCTBGXKNFNQRLU-GFCCVEGCSA-N 1 1 296.798 3.093 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[C@H](CC)C(C)C)C1 ZINC001566679433 960985963 /nfs/dbraw/zinc/98/59/63/960985963.db2.gz UASJUTUOWVJPRI-HOTGVXAUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC001566673015 960989129 /nfs/dbraw/zinc/98/91/29/960989129.db2.gz WYJZNVLYTOSZMK-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CC(CC)CC)C1 ZINC001566676763 960989501 /nfs/dbraw/zinc/98/95/01/960989501.db2.gz QWZARBHALVTSCV-GDBMZVCRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)/C=C/C(C)(C)C ZINC001566918381 961057794 /nfs/dbraw/zinc/05/77/94/961057794.db2.gz PYAUFSQNXUPVGZ-BOLDSZDNSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCCC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CCC=C)C1 ZINC001566966221 961069066 /nfs/dbraw/zinc/06/90/66/961069066.db2.gz SEEGSAHRSVWKTM-JKSUJKDBSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)CCCC ZINC001566971835 961083872 /nfs/dbraw/zinc/08/38/72/961083872.db2.gz NGRDHZRLHNWFEO-DMRKSPOLSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(C)o2)C1 ZINC001567186135 961127692 /nfs/dbraw/zinc/12/76/92/961127692.db2.gz HEOBYXAYPMRMPO-HNNXBMFYSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CCCNC(=O)c1ccco1 ZINC001567243537 961157845 /nfs/dbraw/zinc/15/78/45/961157845.db2.gz LKRMOAFTBKOBNR-HNNXBMFYSA-N 1 1 290.407 3.220 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+]1C[C@H](C)CC(C)C ZINC001567378350 961311037 /nfs/dbraw/zinc/31/10/37/961311037.db2.gz ZYZWLCFKHROGCN-CVEARBPZSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC[N@@H+]1CC=C(C)C ZINC001567376613 961314550 /nfs/dbraw/zinc/31/45/50/961314550.db2.gz KXFPZBOJBMPXRG-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](CNC(=O)C(C)(C)C(=C)C)C1 ZINC001567406763 961328115 /nfs/dbraw/zinc/32/81/15/961328115.db2.gz WFUWWKRVOCNWID-HOTGVXAUSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)/C=C(\C)CC)C1 ZINC001567683737 961394039 /nfs/dbraw/zinc/39/40/39/961394039.db2.gz ZNQNHLWYRUASEE-RBFDBLARSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCCC ZINC001567674063 961395087 /nfs/dbraw/zinc/39/50/87/961395087.db2.gz UCDYAWMEINTSAO-IYBDPMFKSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)CC2CCCCC2)C1 ZINC001567679403 961395656 /nfs/dbraw/zinc/39/56/56/961395656.db2.gz QKFIVCDYJQEPAT-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)C[C@@H](C)CC(C)C)C1 ZINC001567713261 961402610 /nfs/dbraw/zinc/40/26/10/961402610.db2.gz ZUCQFNFDHBHUJR-DLBZAZTESA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)CC(CC)CC)C1 ZINC001567738079 961417724 /nfs/dbraw/zinc/41/77/24/961417724.db2.gz BNOISOBZDHKFFF-MRXNPFEDSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)CCCC ZINC001567853526 961440581 /nfs/dbraw/zinc/44/05/81/961440581.db2.gz ZLDXZSCZSJQTBF-IKGGRYGDSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](N(C)C(=O)CCC)C1 ZINC001567903549 961449627 /nfs/dbraw/zinc/44/96/27/961449627.db2.gz YHSANSMNSARRLU-HNNXBMFYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC001567891911 961453708 /nfs/dbraw/zinc/45/37/08/961453708.db2.gz ZMTAUGQNMZOLGK-SJLPKXTDSA-N 1 1 298.430 3.221 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC001567899803 961454790 /nfs/dbraw/zinc/45/47/90/961454790.db2.gz IHRKRKUTEOHNMS-QGZVFWFLSA-N 1 1 286.419 3.074 20 30 CGEDMO CN(C(=O)C#CC(C)(C)C)[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001567912094 961455309 /nfs/dbraw/zinc/45/53/09/961455309.db2.gz TVVGXMVBKXLSRB-HNNXBMFYSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)C(CC(C)C)CC(C)C)C1 ZINC001567928370 961468162 /nfs/dbraw/zinc/46/81/62/961468162.db2.gz HPBZLUJHJHNQJU-KRWDZBQOSA-N 1 1 294.483 3.414 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(C1)CCN(C(=O)CC(C)C)CC2 ZINC001568153930 961504205 /nfs/dbraw/zinc/50/42/05/961504205.db2.gz SIOBYTXTNUXTND-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C#CCCCCCC(=O)N1CCC(CC[N@H+](C)CC)CC1 ZINC001568438427 961574812 /nfs/dbraw/zinc/57/48/12/961574812.db2.gz HBLYYNJBNOAIOG-UHFFFAOYSA-N 1 1 292.467 3.151 20 30 CGEDMO C=CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CC[C@@H](C)C2)CC1 ZINC001568439304 961575320 /nfs/dbraw/zinc/57/53/20/961575320.db2.gz OHXBPCOOWQMWKX-WBVHZDCISA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+](C)CCN(C)C(=O)C[C@H](C)C1CCCCC1 ZINC001568498726 961593561 /nfs/dbraw/zinc/59/35/61/961593561.db2.gz NBFSRLAMMFUQSY-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C ZINC001568489127 961593683 /nfs/dbraw/zinc/59/36/83/961593683.db2.gz ONKSFOBIOFOGOF-HZPDHXFCSA-N 1 1 292.467 3.191 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)CCC(C)C)CC[C@@H]21 ZINC001568508118 961608186 /nfs/dbraw/zinc/60/81/86/961608186.db2.gz IZLIJXIRRKXZJL-IRXDYDNUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H]2CN(C(=O)C(C)C)CC[C@@H]21 ZINC001568508380 961609529 /nfs/dbraw/zinc/60/95/29/961609529.db2.gz LHSIGYAFKHMAIC-IRXDYDNUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)c1ccccc1 ZINC001569103113 961686094 /nfs/dbraw/zinc/68/60/94/961686094.db2.gz IBURQOPWCZEWDF-LSDHHAIUSA-N 1 1 274.408 3.091 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)C1(C)CC=CC1 ZINC001569136396 961697710 /nfs/dbraw/zinc/69/77/10/961697710.db2.gz QYGJCBPOJFYNEM-CABCVRRESA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)C1(C)CC(=C)C1 ZINC001569137658 961698551 /nfs/dbraw/zinc/69/85/51/961698551.db2.gz GKAMKELAUNHKSB-HUUCEWRRSA-N 1 1 278.440 3.134 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@H](C)c1cccs1 ZINC001569137694 961698640 /nfs/dbraw/zinc/69/86/40/961698640.db2.gz GXUJHOHLAIZLSH-UONOGXRCSA-N 1 1 294.464 3.254 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)c1cc(C(C)C)oc1C ZINC001569145690 961713208 /nfs/dbraw/zinc/71/32/08/961713208.db2.gz OAJIQMUJLQWEDC-ZDUSSCGKSA-N 1 1 292.423 3.338 20 30 CGEDMO C=CC[N@H+](C)C[C@H](C)NC(=O)c1ccc(C2=CCCC2)cc1 ZINC001569154535 961714727 /nfs/dbraw/zinc/71/47/27/961714727.db2.gz CBZFJRYSGXIWEK-HNNXBMFYSA-N 1 1 298.430 3.490 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)C1(C)CCCCCC1 ZINC001569361214 961742344 /nfs/dbraw/zinc/74/23/44/961742344.db2.gz LNUQGIRCBIWBEM-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)C1(C)CCCCCC1 ZINC001569361214 961742354 /nfs/dbraw/zinc/74/23/54/961742354.db2.gz LNUQGIRCBIWBEM-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(=C)Cl ZINC001569618904 961802621 /nfs/dbraw/zinc/80/26/21/961802621.db2.gz SSXIIBYHPQEBFE-CABCVRRESA-N 1 1 296.842 3.161 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(=C)Cl ZINC001569618904 961802639 /nfs/dbraw/zinc/80/26/39/961802639.db2.gz SSXIIBYHPQEBFE-CABCVRRESA-N 1 1 296.842 3.161 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)CCC ZINC001569913589 961874675 /nfs/dbraw/zinc/87/46/75/961874675.db2.gz TXCDJGPANHQCKE-LSDHHAIUSA-N 1 1 278.440 3.064 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC)CCCC)CC1 ZINC001570171606 961911777 /nfs/dbraw/zinc/91/17/77/961911777.db2.gz YURJQUAZRSFGMY-DLBZAZTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CCC[N@H+](CCCC)CC1 ZINC001570176983 961911969 /nfs/dbraw/zinc/91/19/69/961911969.db2.gz BUIUBDQTRJIYTE-HNNXBMFYSA-N 1 1 266.429 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C)CCCC)CC1 ZINC001570175039 961916427 /nfs/dbraw/zinc/91/64/27/961916427.db2.gz NWQUIIQVTQHYAY-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO CCC/C=C\CC[N@@H+](C)CCCN(C)C(=O)C#CC(C)C ZINC001570196801 961930038 /nfs/dbraw/zinc/93/00/38/961930038.db2.gz PXMGYSBOOUVWIC-HJWRWDBZSA-N 1 1 292.467 3.173 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)CCC)C(C)(C)C1 ZINC001570397437 961959768 /nfs/dbraw/zinc/95/97/68/961959768.db2.gz IHUJFPNQXCGPFS-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO CC#CC[N@H+]1CC[C@H](NC(=O)CCCCC(C)C)C[C@@H]1C ZINC001570444040 961966968 /nfs/dbraw/zinc/96/69/68/961966968.db2.gz AXGVQPFGVUDRSO-IRXDYDNUSA-N 1 1 292.467 3.195 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](CC2CCC2)[C@H](C)C1 ZINC001570440469 961967926 /nfs/dbraw/zinc/96/79/26/961967926.db2.gz MAVHAVROSRJJHL-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC1(C(=O)N2CCC[C@H]2C[N@@H+](C)CCCF)CCC1 ZINC001570540196 961987126 /nfs/dbraw/zinc/98/71/26/961987126.db2.gz LVZBRURRLQKMIF-HNNXBMFYSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)CCCF ZINC001570539010 961987807 /nfs/dbraw/zinc/98/78/07/961987807.db2.gz WEWYBEUDYXAFCA-CABCVRRESA-N 1 1 284.419 3.014 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)/C=C/C(C)(C)C ZINC001570526387 961988307 /nfs/dbraw/zinc/98/83/07/961988307.db2.gz SPIPCBUAULXUSO-PCUGXKRQSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC=C(C)C ZINC001570537712 961988494 /nfs/dbraw/zinc/98/84/94/961988494.db2.gz FYHPTDJQUMRMOE-IAGOWNOFSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@H](C)[N@H+](C)C[C@@H](C)CC(C)C)C1 ZINC001570734458 962062056 /nfs/dbraw/zinc/06/20/56/962062056.db2.gz UTIDRIDWWVWMNF-HOCLYGCPSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CC[N@H+]1CCCCC[C@H]1CNC(=O)CC1CCCC1 ZINC001570815486 962097384 /nfs/dbraw/zinc/09/73/84/962097384.db2.gz DDEZLADFAQHHMY-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C#CC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)CCCCC)C(C)(C)C1 ZINC001570905233 962105932 /nfs/dbraw/zinc/10/59/32/962105932.db2.gz PUHXFWQGQAKZPV-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1C[N@H+](CC2CC(C)C2)CC1(C)C ZINC001570897429 962112978 /nfs/dbraw/zinc/11/29/78/962112978.db2.gz RCQNUBAZOJBQOB-UYSNPLJNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CCC[N@@H+](CCC2CC2)[C@@H]1C ZINC001571521455 962169185 /nfs/dbraw/zinc/16/91/85/962169185.db2.gz RTTVJUXTMVULAA-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)[C@@H]1C[C@]1(C)C(C)C)C(C)C ZINC001571615315 962188472 /nfs/dbraw/zinc/18/84/72/962188472.db2.gz NFJBCHWGQNOBIU-DOTOQJQBSA-N 1 1 280.456 3.023 20 30 CGEDMO CCCCCCCCCC(=O)Oc1cnn2c1C[NH2+]CC2 ZINC001577430234 962542239 /nfs/dbraw/zinc/54/22/39/962542239.db2.gz WKJNDMFSAJUXLC-UHFFFAOYSA-N 1 1 293.411 3.032 20 30 CGEDMO C=CCC1(C(=O)N2CC[N@H+](C)C(C)(C)CC2)CCCCC1 ZINC001586161790 963078026 /nfs/dbraw/zinc/07/80/26/963078026.db2.gz YMQRKZROOQMBKA-UHFFFAOYSA-N 1 1 292.467 3.456 20 30 CGEDMO CC(C)CC[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000486809524 534925911 /nfs/dbraw/zinc/92/59/11/534925911.db2.gz ODQOVCMNFDXGPE-KRWDZBQOSA-N 1 1 299.418 3.397 20 30 CGEDMO CC[C@H]1[C@H](CO)CC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000590748311 346871676 /nfs/dbraw/zinc/87/16/76/346871676.db2.gz RMQCIVKRMMVPJT-RDJZCZTQSA-N 1 1 286.419 3.081 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)cc1 ZINC000590765911 346873441 /nfs/dbraw/zinc/87/34/41/346873441.db2.gz WMUPMIHMPCDXBW-SJORKVTESA-N 1 1 298.430 3.345 20 30 CGEDMO CC[C@@H](C)[C@H]1CCCC[N@H+]1Cc1nc(C#N)cs1 ZINC000356107383 529426007 /nfs/dbraw/zinc/42/60/07/529426007.db2.gz CUEPNHRMOKBUCP-DGCLKSJQSA-N 1 1 263.410 3.415 20 30 CGEDMO CC[C@@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)N1CCCC1 ZINC000358567858 529495848 /nfs/dbraw/zinc/49/58/48/529495848.db2.gz KCJIIFKMNZQZJW-HIFRSBDPSA-N 1 1 289.398 3.222 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000591063017 346897976 /nfs/dbraw/zinc/89/79/76/346897976.db2.gz FZVDHNASNQJESS-CYBMUJFWSA-N 1 1 258.340 3.319 20 30 CGEDMO C=C(C)C[N@H+]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC000591386157 346919640 /nfs/dbraw/zinc/91/96/40/346919640.db2.gz LIBZDUPPMUPDEC-UHFFFAOYSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C(C)CN1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000591386157 346919642 /nfs/dbraw/zinc/91/96/42/346919642.db2.gz LIBZDUPPMUPDEC-UHFFFAOYSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C(C)CN1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000591386157 346919644 /nfs/dbraw/zinc/91/96/44/346919644.db2.gz LIBZDUPPMUPDEC-UHFFFAOYSA-N 1 1 258.409 3.159 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@H]([NH3+])c1ccccc1 ZINC000591577344 346929137 /nfs/dbraw/zinc/92/91/37/346929137.db2.gz UQAKMJCGUWYOKW-OALUTQOASA-N 1 1 291.398 3.225 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@@H]([NH3+])c1ccccc1 ZINC000591577343 346929342 /nfs/dbraw/zinc/92/93/42/346929342.db2.gz UQAKMJCGUWYOKW-MOPGFXCFSA-N 1 1 291.398 3.225 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccncc2C#N)[C@@H]2CCCC[C@@H]12 ZINC000592059338 346957933 /nfs/dbraw/zinc/95/79/33/346957933.db2.gz IPOJWMKDXXOOEV-XOKHGSTOSA-N 1 1 269.392 3.354 20 30 CGEDMO N#Cc1cnccc1C[NH+]1CCC(c2ccccc2)CC1 ZINC000592059811 346958109 /nfs/dbraw/zinc/95/81/09/346958109.db2.gz XZBQVDMVMPULGS-UHFFFAOYSA-N 1 1 277.371 3.333 20 30 CGEDMO Cc1ccc([C@@H](C)[NH2+]Cc2ccncc2C#N)cc1 ZINC000592092304 346962757 /nfs/dbraw/zinc/96/27/57/346962757.db2.gz HHKIDQUPJJJLQG-CYBMUJFWSA-N 1 1 251.333 3.113 20 30 CGEDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cc1ccncc1C#N ZINC000592071213 346960562 /nfs/dbraw/zinc/96/05/62/346960562.db2.gz CNMRUUWJCFBDHJ-WBVHZDCISA-N 1 1 291.398 3.406 20 30 CGEDMO N#Cc1cnccc1C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000592121684 346965224 /nfs/dbraw/zinc/96/52/24/346965224.db2.gz ASJFHKBRZLJHNY-INIZCTEOSA-N 1 1 277.371 3.333 20 30 CGEDMO N#Cc1cc(C[NH2+]C2(c3ccccc3Cl)CC2)ccn1 ZINC000592138182 346966071 /nfs/dbraw/zinc/96/60/71/346966071.db2.gz VVVOBSVDQFDBCX-UHFFFAOYSA-N 1 1 283.762 3.386 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cc2n(n1)CCCC2 ZINC000592389728 346981842 /nfs/dbraw/zinc/98/18/42/346981842.db2.gz AWFZIUNPTUIESQ-LBPRGKRZSA-N 1 1 298.365 3.081 20 30 CGEDMO CC(C)(C#N)CN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000592507134 346993854 /nfs/dbraw/zinc/99/38/54/346993854.db2.gz HPRLCUMTRHTKJP-QGZVFWFLSA-N 1 1 297.446 3.323 20 30 CGEDMO C[N@@H+](CCNc1ncc(C#N)cc1Cl)C1CCCCC1 ZINC000358879006 529918281 /nfs/dbraw/zinc/91/82/81/529918281.db2.gz VPAABWAPKWLREA-UHFFFAOYSA-N 1 1 292.814 3.283 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1C[C@H](C)OCC12CCC2 ZINC000593093863 347038079 /nfs/dbraw/zinc/03/80/79/347038079.db2.gz VUILVNXTDUYXBT-AWEZNQCLSA-N 1 1 270.376 3.010 20 30 CGEDMO CC[C@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@@H](C)CO1 ZINC000593062633 347034372 /nfs/dbraw/zinc/03/43/72/347034372.db2.gz PPDRBNNIKWHJJG-HOCLYGCPSA-N 1 1 286.419 3.487 20 30 CGEDMO C[N@@H+](Cc1cccc(F)c1)Cc1ccc(F)c(C#N)c1 ZINC000160519154 529994898 /nfs/dbraw/zinc/99/48/98/529994898.db2.gz JIKYKZGOJWUQFU-UHFFFAOYSA-N 1 1 272.298 3.468 20 30 CGEDMO Cc1nccn1CCC[N@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000127322301 187296708 /nfs/dbraw/zinc/29/67/08/187296708.db2.gz SWACSYSWEGIMLN-AWEZNQCLSA-N 1 1 282.391 3.146 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1cccc(Cl)c1C ZINC000048617374 345068362 /nfs/dbraw/zinc/06/83/62/345068362.db2.gz SDFBJRUSRJTTBD-UHFFFAOYSA-N 1 1 280.799 3.485 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1cccc(Cl)c1C ZINC000048617374 345068371 /nfs/dbraw/zinc/06/83/71/345068371.db2.gz SDFBJRUSRJTTBD-UHFFFAOYSA-N 1 1 280.799 3.485 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCCO1 ZINC000047740176 345055388 /nfs/dbraw/zinc/05/53/88/345055388.db2.gz DQLCULKBMOMZSH-KRWDZBQOSA-N 1 1 272.392 3.339 20 30 CGEDMO C[N@@H+](CCCC#N)Cc1ccc(Br)s1 ZINC000053149175 345115526 /nfs/dbraw/zinc/11/55/26/345115526.db2.gz FUKNYUUIRQBYMU-UHFFFAOYSA-N 1 1 273.199 3.246 20 30 CGEDMO C=CC[NH+]1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000054992995 345142018 /nfs/dbraw/zinc/14/20/18/345142018.db2.gz ZKIABDVBAGWUSM-UHFFFAOYSA-N 1 1 299.443 3.114 20 30 CGEDMO CCC[N@@H+](CCc1ccncc1)Cc1ccc(C#N)cc1 ZINC000061001913 345226301 /nfs/dbraw/zinc/22/63/01/345226301.db2.gz VMTDPDHOYGQHQY-UHFFFAOYSA-N 1 1 279.387 3.408 20 30 CGEDMO COCC[N@H+](CCC#N)Cc1cccc2ccccc21 ZINC000070142961 345388293 /nfs/dbraw/zinc/38/82/93/345388293.db2.gz YYCIFCMOIPAPOY-UHFFFAOYSA-N 1 1 268.360 3.202 20 30 CGEDMO COCC[N@@H+](CCC#N)Cc1cccc2ccccc21 ZINC000070142961 345388295 /nfs/dbraw/zinc/38/82/95/345388295.db2.gz YYCIFCMOIPAPOY-UHFFFAOYSA-N 1 1 268.360 3.202 20 30 CGEDMO CN1CC[N@@H+](Cc2cccc(C#N)c2)Cc2ccccc21 ZINC000069089113 345372857 /nfs/dbraw/zinc/37/28/57/345372857.db2.gz QTJYKXPXOHYPJW-UHFFFAOYSA-N 1 1 277.371 3.010 20 30 CGEDMO C[C@H]1CC[C@H](C)[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000076149250 345535923 /nfs/dbraw/zinc/53/59/23/345535923.db2.gz ZSAJMYOZBIFSCW-STQMWFEESA-N 1 1 296.374 3.229 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)C[C@@H](O)COc1ccccc1 ZINC000078357665 345603295 /nfs/dbraw/zinc/60/32/95/345603295.db2.gz SBJZUYNDCBASDE-GOSISDBHSA-N 1 1 297.398 3.115 20 30 CGEDMO N#CCCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000084135311 345730030 /nfs/dbraw/zinc/73/00/30/345730030.db2.gz CHAGVDPGLOITRP-MRXNPFEDSA-N 1 1 284.359 3.119 20 30 CGEDMO C[C@H]1C[C@H](Nc2c(C#N)cnc3ccccc32)CC[N@H+]1C ZINC000090795375 345794225 /nfs/dbraw/zinc/79/42/25/345794225.db2.gz ZFRHSGLHWOZWKX-GXTWGEPZSA-N 1 1 280.375 3.001 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@@H](C)C2)cc1OCCCC#N ZINC000092471601 345842363 /nfs/dbraw/zinc/84/23/63/345842363.db2.gz BAUQFHZJCXJYEW-CQSZACIVSA-N 1 1 288.391 3.220 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000092071397 345830513 /nfs/dbraw/zinc/83/05/13/345830513.db2.gz ZQERJABVMKXWSV-INIZCTEOSA-N 1 1 297.402 3.354 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](CC)C[C@H]2CCCO2)cc1 ZINC000092406776 345838159 /nfs/dbraw/zinc/83/81/59/345838159.db2.gz CFDCJGXQZMGPTE-QGZVFWFLSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000093201666 345872147 /nfs/dbraw/zinc/87/21/47/345872147.db2.gz OXLAZKGMXZPKAS-CQSZACIVSA-N 1 1 262.401 3.005 20 30 CGEDMO CC(C)[C@@H]1CCCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000093444073 345878856 /nfs/dbraw/zinc/87/88/56/345878856.db2.gz QCTAIUWHCQZFNN-INIZCTEOSA-N 1 1 282.391 3.216 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)c(F)c1 ZINC000111249520 345948926 /nfs/dbraw/zinc/94/89/26/345948926.db2.gz YKCQLHUMRLKKHN-BBRMVZONSA-N 1 1 258.340 3.462 20 30 CGEDMO Cc1[nH+]c2c(n1CC#Cc1ccccc1)CCCC2 ZINC000130512564 346058416 /nfs/dbraw/zinc/05/84/16/346058416.db2.gz AXFBYNZNQTZFKX-UHFFFAOYSA-N 1 1 250.345 3.122 20 30 CGEDMO CC#CCC[N@@H+]1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC000155794591 346155338 /nfs/dbraw/zinc/15/53/38/346155338.db2.gz CLPHPUKCJCBHDE-DOTOQJQBSA-N 1 1 257.377 3.170 20 30 CGEDMO CC#CCC[N@H+]1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC000155794591 346155340 /nfs/dbraw/zinc/15/53/40/346155340.db2.gz CLPHPUKCJCBHDE-DOTOQJQBSA-N 1 1 257.377 3.170 20 30 CGEDMO CSCC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1C ZINC000165509865 346185078 /nfs/dbraw/zinc/18/50/78/346185078.db2.gz PNSQUQMUTBXXRA-CYBMUJFWSA-N 1 1 262.422 3.440 20 30 CGEDMO C=CCCC[N@H+](C)CCOc1ccccc1C(C)=O ZINC000172324529 346219055 /nfs/dbraw/zinc/21/90/55/346219055.db2.gz CONRDTHRAXGXGJ-UHFFFAOYSA-N 1 1 261.365 3.166 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@H](C)COC ZINC000189787125 346263721 /nfs/dbraw/zinc/26/37/21/346263721.db2.gz DDKBXTXBGPQJJT-ZDUSSCGKSA-N 1 1 251.345 3.096 20 30 CGEDMO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)C(=O)OC(C)(C)C)C1 ZINC000593584273 347092698 /nfs/dbraw/zinc/09/26/98/347092698.db2.gz ZWAIOBTUNPUNDD-XQQFMLRXSA-N 1 1 253.386 3.051 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC000397653002 346583497 /nfs/dbraw/zinc/58/34/97/346583497.db2.gz UMQSTFBVWJZQEJ-CHWSQXEVSA-N 1 1 256.340 3.438 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](CCCCC2CCOCC2)C1 ZINC000397854145 346585314 /nfs/dbraw/zinc/58/53/14/346585314.db2.gz SUFHSLQLDQVGPJ-MRXNPFEDSA-N 1 1 264.413 3.209 20 30 CGEDMO CC[C@H]1COC(C)(C)C[N@H+]1CCCC(C)(C)C#N ZINC000403809314 346598412 /nfs/dbraw/zinc/59/84/12/346598412.db2.gz HAOPVJOTVIHWBK-ZDUSSCGKSA-N 1 1 252.402 3.206 20 30 CGEDMO C[C@@H]1CN(CCCC#N)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000404440403 346599371 /nfs/dbraw/zinc/59/93/71/346599371.db2.gz UHFXKKCNWAFPOJ-ZACQAIPSSA-N 1 1 285.435 3.273 20 30 CGEDMO C[C@@H]1C[N@H+](CCCC#N)[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC000404440403 346599373 /nfs/dbraw/zinc/59/93/73/346599373.db2.gz UHFXKKCNWAFPOJ-ZACQAIPSSA-N 1 1 285.435 3.273 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCC#N)[C@H](C)[C@H](C)N1Cc1ccccc1 ZINC000404440403 346599376 /nfs/dbraw/zinc/59/93/76/346599376.db2.gz UHFXKKCNWAFPOJ-ZACQAIPSSA-N 1 1 285.435 3.273 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc(F)c(F)c2)CCCC1 ZINC000405140177 346602909 /nfs/dbraw/zinc/60/29/09/346602909.db2.gz TYNTZVWLYSEONA-UHFFFAOYSA-N 1 1 250.292 3.138 20 30 CGEDMO N#CC1(CC[N@H+]2CCC[C@@]23CCOC3)CCCCC1 ZINC000411762399 346607164 /nfs/dbraw/zinc/60/71/64/346607164.db2.gz BLXLKXRVKGMFHO-INIZCTEOSA-N 1 1 262.397 3.105 20 30 CGEDMO CCc1ccc(-c2noc([C@H]([NH3+])CCCCC#N)n2)cc1 ZINC000593944045 347120865 /nfs/dbraw/zinc/12/08/65/347120865.db2.gz RIMCSVVFBLCOMX-CQSZACIVSA-N 1 1 284.363 3.383 20 30 CGEDMO CC[C@H](CC#N)[NH2+]C[C@@H](OC)c1ccc(Cl)cc1 ZINC000594006551 347135899 /nfs/dbraw/zinc/13/58/99/347135899.db2.gz FZLFEKIPWQJCGS-ZIAGYGMSSA-N 1 1 266.772 3.309 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cn2)CCc2ccc(F)cc21 ZINC000594014459 347137596 /nfs/dbraw/zinc/13/75/96/347137596.db2.gz DUFVYLAFPBXUOM-ZDUSSCGKSA-N 1 1 295.361 3.254 20 30 CGEDMO CC[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccccc1F ZINC000594019595 347138565 /nfs/dbraw/zinc/13/85/65/347138565.db2.gz OOQZVZIYUJNQMG-SWLSCSKDSA-N 1 1 259.328 3.310 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](OC3CCC3)C2)c1F ZINC000594026905 347139232 /nfs/dbraw/zinc/13/92/32/347139232.db2.gz PUUXJFBPCBJQQN-INIZCTEOSA-N 1 1 288.366 3.231 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](OC3CCC3)C2)c1F ZINC000594026905 347139237 /nfs/dbraw/zinc/13/92/37/347139237.db2.gz PUUXJFBPCBJQQN-INIZCTEOSA-N 1 1 288.366 3.231 20 30 CGEDMO CCCC[N@@H+](C)CC1CCN(C(=O)CCCCC#N)CC1 ZINC000594296060 347169403 /nfs/dbraw/zinc/16/94/03/347169403.db2.gz YSUNKKNYNUEZQZ-UHFFFAOYSA-N 1 1 293.455 3.041 20 30 CGEDMO N#Cc1cc(F)ccc1N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594604384 347201183 /nfs/dbraw/zinc/20/11/83/347201183.db2.gz YUPRPVOUQRQHQI-HZPDHXFCSA-N 1 1 273.355 3.126 20 30 CGEDMO C[NH+](C)C1(CNCc2ccc(C(C)(C)C#N)cc2)CCCC1 ZINC000594493415 347177791 /nfs/dbraw/zinc/17/77/91/347177791.db2.gz MRFJRTXNBVDTKG-UHFFFAOYSA-N 1 1 299.462 3.452 20 30 CGEDMO C[N@@H+](CCNCc1ccc(C(C)(C)C#N)cc1)C1CCCC1 ZINC000594497759 347179569 /nfs/dbraw/zinc/17/95/69/347179569.db2.gz FSQVAWNSVDGXIR-UHFFFAOYSA-N 1 1 299.462 3.452 20 30 CGEDMO CN(CC[NH2+]Cc1ccc(C(C)(C)C#N)cc1)C1CCCC1 ZINC000594497759 347179571 /nfs/dbraw/zinc/17/95/71/347179571.db2.gz FSQVAWNSVDGXIR-UHFFFAOYSA-N 1 1 299.462 3.452 20 30 CGEDMO CC[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccn(C)n1 ZINC000594517587 347187646 /nfs/dbraw/zinc/18/76/46/347187646.db2.gz KGJBXZYVEBBJIR-INIZCTEOSA-N 1 1 294.402 3.412 20 30 CGEDMO COc1cccc(C[NH2+]CC2(C#N)CCCCC2)c1 ZINC000594995357 347251995 /nfs/dbraw/zinc/25/19/95/347251995.db2.gz ORKGZVGRMXNOCU-UHFFFAOYSA-N 1 1 258.365 3.259 20 30 CGEDMO N#CC1(c2ccc(CNCCC[NH+]3CCCCC3)cc2)CC1 ZINC000594917851 347228858 /nfs/dbraw/zinc/22/88/58/347228858.db2.gz KUQFROAVPZCWEC-UHFFFAOYSA-N 1 1 297.446 3.207 20 30 CGEDMO CC(C)([NH2+]Cc1cscn1)c1cccc(C#N)c1 ZINC000594968616 347244346 /nfs/dbraw/zinc/24/43/46/347244346.db2.gz KLWKOKBALGOANH-UHFFFAOYSA-N 1 1 257.362 3.040 20 30 CGEDMO N#CC1(C[NH2+]Cc2cc3cccnc3o2)CCCCC1 ZINC000594981053 347247904 /nfs/dbraw/zinc/24/79/04/347247904.db2.gz FWKYABZWDIAVQG-UHFFFAOYSA-N 1 1 269.348 3.391 20 30 CGEDMO CC[C@H]([NH2+][C@@H](C)c1nccn1C)c1ccc(C#N)cc1 ZINC000595109099 347285099 /nfs/dbraw/zinc/28/50/99/347285099.db2.gz SYZJCHMSNMUEGE-WFASDCNBSA-N 1 1 268.364 3.094 20 30 CGEDMO CCC[N@@H+](CCO[C@@H]1CC1(F)F)Cc1ccc(C#N)cc1 ZINC000595289573 347287305 /nfs/dbraw/zinc/28/73/05/347287305.db2.gz FERYOORUIJOGEM-OAHLLOKOSA-N 1 1 294.345 3.194 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H](OC)C1CCC1 ZINC000595297643 347288108 /nfs/dbraw/zinc/28/81/08/347288108.db2.gz XWCUEEAJNXZRBG-SFHVURJKSA-N 1 1 284.403 3.361 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCOC3(CCCCC3)C2)cc1 ZINC000595324971 347292453 /nfs/dbraw/zinc/29/24/53/347292453.db2.gz DRBBMOIXJMCVLM-UHFFFAOYSA-N 1 1 284.403 3.136 20 30 CGEDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595374880 347296464 /nfs/dbraw/zinc/29/64/64/347296464.db2.gz FNQHVWMVDQUBQM-AWEZNQCLSA-N 1 1 280.371 3.499 20 30 CGEDMO C[C@@H]([NH2+]Cc1c(C2CC2)cnn1C)c1ccc(C#N)cc1F ZINC000595075892 347278249 /nfs/dbraw/zinc/27/82/49/347278249.db2.gz BVQKTKHMJUJFOE-LLVKDONJSA-N 1 1 298.365 3.159 20 30 CGEDMO CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595609935 347326293 /nfs/dbraw/zinc/32/62/93/347326293.db2.gz QMJCGHFQPVUSIC-GOEBONIOSA-N 1 1 299.418 3.202 20 30 CGEDMO CCc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595609935 347326295 /nfs/dbraw/zinc/32/62/95/347326295.db2.gz QMJCGHFQPVUSIC-GOEBONIOSA-N 1 1 299.418 3.202 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](CCOc2ccccc2Cl)C1 ZINC000595610972 347326563 /nfs/dbraw/zinc/32/65/63/347326563.db2.gz FHKDNABBROOJBQ-CYBMUJFWSA-N 1 1 278.783 3.344 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](CCOc2ccccc2Cl)C1 ZINC000595610972 347326568 /nfs/dbraw/zinc/32/65/68/347326568.db2.gz FHKDNABBROOJBQ-CYBMUJFWSA-N 1 1 278.783 3.344 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000595611000 347326656 /nfs/dbraw/zinc/32/66/56/347326656.db2.gz FWWSHYPJQNNYTI-LLVKDONJSA-N 1 1 292.766 3.194 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000595611000 347326657 /nfs/dbraw/zinc/32/66/57/347326657.db2.gz FWWSHYPJQNNYTI-LLVKDONJSA-N 1 1 292.766 3.194 20 30 CGEDMO CCOc1ccccc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595611696 347326661 /nfs/dbraw/zinc/32/66/61/347326661.db2.gz MXEQRCOTCZNGNN-CQSZACIVSA-N 1 1 258.365 3.211 20 30 CGEDMO C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCC[C@H](CC#N)C1 ZINC000595611534 347326727 /nfs/dbraw/zinc/32/67/27/347326727.db2.gz KIOWPIYYRLHOAF-OAGGEKHMSA-N 1 1 264.413 3.207 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000595614361 347327923 /nfs/dbraw/zinc/32/79/23/347327923.db2.gz LENLJZVIOTWZIF-HNNXBMFYSA-N 1 1 272.779 3.317 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000595614361 347327924 /nfs/dbraw/zinc/32/79/24/347327924.db2.gz LENLJZVIOTWZIF-HNNXBMFYSA-N 1 1 272.779 3.317 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000595619472 347328495 /nfs/dbraw/zinc/32/84/95/347328495.db2.gz BQOSAXXQXGPCJK-HNNXBMFYSA-N 1 1 272.779 3.317 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000595619472 347328499 /nfs/dbraw/zinc/32/84/99/347328499.db2.gz BQOSAXXQXGPCJK-HNNXBMFYSA-N 1 1 272.779 3.317 20 30 CGEDMO CCc1ccccc1CC[N@H+]1CCC[C@H](CC#N)C1 ZINC000595623119 347329809 /nfs/dbraw/zinc/32/98/09/347329809.db2.gz HZILSFLOQNKESQ-OAHLLOKOSA-N 1 1 256.393 3.417 20 30 CGEDMO C=CC[N@H+](Cc1ccc(Cl)cc1C#N)[C@H](C)COC ZINC000595638460 347330774 /nfs/dbraw/zinc/33/07/74/347330774.db2.gz GJRQKWRSKXOUCS-GFCCVEGCSA-N 1 1 278.783 3.235 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Cl)cc1C#N)[C@H](C)COC ZINC000595638460 347330778 /nfs/dbraw/zinc/33/07/78/347330778.db2.gz GJRQKWRSKXOUCS-GFCCVEGCSA-N 1 1 278.783 3.235 20 30 CGEDMO C[C@@H](CO)[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000595679799 347336212 /nfs/dbraw/zinc/33/62/12/347336212.db2.gz YKWIRYKBGPMZOB-BLLLJJGKSA-N 1 1 292.810 3.195 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)[C@H]1CCO ZINC000595703529 347343595 /nfs/dbraw/zinc/34/35/95/347343595.db2.gz TWLUUKBZYHNNSA-WBMJQRKESA-N 1 1 292.810 3.195 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H](CCF)C1 ZINC000595755973 347351740 /nfs/dbraw/zinc/35/17/40/347351740.db2.gz SAWCEIYHFBTPNE-GFCCVEGCSA-N 1 1 264.319 3.269 20 30 CGEDMO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H](CCF)C1 ZINC000595755973 347351741 /nfs/dbraw/zinc/35/17/41/347351741.db2.gz SAWCEIYHFBTPNE-GFCCVEGCSA-N 1 1 264.319 3.269 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](CCF)C2)c([N+](=O)[O-])c1 ZINC000595757079 347351767 /nfs/dbraw/zinc/35/17/67/347351767.db2.gz YXPNMXJECOFYKM-GFCCVEGCSA-N 1 1 291.326 3.038 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)cc1 ZINC000595786862 347356353 /nfs/dbraw/zinc/35/63/53/347356353.db2.gz IAEBWGGPCSPINM-OALUTQOASA-N 1 1 298.430 3.382 20 30 CGEDMO Cn1nccc1[C@@H]1CCCC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595476829 347309533 /nfs/dbraw/zinc/30/95/33/347309533.db2.gz SUVAJMLRYZJZTJ-SFHVURJKSA-N 1 1 294.402 3.061 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000595503350 347312162 /nfs/dbraw/zinc/31/21/62/347312162.db2.gz SNFZNPWJMPYBJQ-AWEZNQCLSA-N 1 1 257.381 3.201 20 30 CGEDMO CO[C@@H](C[N@H+]1Cc2ccc(C#N)cc2C1)C1CCCCC1 ZINC000595563904 347319816 /nfs/dbraw/zinc/31/98/16/347319816.db2.gz XJZCAHLANXKLOM-SFHVURJKSA-N 1 1 284.403 3.469 20 30 CGEDMO Cc1ccc(C)c(OCCC[N@@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000595833631 347363389 /nfs/dbraw/zinc/36/33/89/347363389.db2.gz HZQXRHYKTWEHPY-KRWDZBQOSA-N 1 1 272.392 3.308 20 30 CGEDMO Cc1ccc(C)c(OCCC[N@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000595833631 347363393 /nfs/dbraw/zinc/36/33/93/347363393.db2.gz HZQXRHYKTWEHPY-KRWDZBQOSA-N 1 1 272.392 3.308 20 30 CGEDMO CCCOc1ccc(OCC[N@@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000595835962 347363582 /nfs/dbraw/zinc/36/35/82/347363582.db2.gz TYSHPPDXPWTIBP-KRWDZBQOSA-N 1 1 288.391 3.090 20 30 CGEDMO CCCOc1ccc(OCC[N@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000595835962 347363584 /nfs/dbraw/zinc/36/35/84/347363584.db2.gz TYSHPPDXPWTIBP-KRWDZBQOSA-N 1 1 288.391 3.090 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC000595841944 347365768 /nfs/dbraw/zinc/36/57/68/347365768.db2.gz ATLJPSSXANOSIQ-CQSZACIVSA-N 1 1 298.308 3.363 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC000595841944 347365770 /nfs/dbraw/zinc/36/57/70/347365770.db2.gz ATLJPSSXANOSIQ-CQSZACIVSA-N 1 1 298.308 3.363 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000595843205 347366395 /nfs/dbraw/zinc/36/63/95/347366395.db2.gz JHDNLTMSBTYCCX-HZPDHXFCSA-N 1 1 258.340 3.439 20 30 CGEDMO C[C@]1(C#N)CC[N@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000595843205 347366399 /nfs/dbraw/zinc/36/63/99/347366399.db2.gz JHDNLTMSBTYCCX-HZPDHXFCSA-N 1 1 258.340 3.439 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000595913158 347372583 /nfs/dbraw/zinc/37/25/83/347372583.db2.gz CGPFWBIGUARMEZ-HSMVNMDESA-N 1 1 294.345 3.364 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000595913158 347372585 /nfs/dbraw/zinc/37/25/85/347372585.db2.gz CGPFWBIGUARMEZ-HSMVNMDESA-N 1 1 294.345 3.364 20 30 CGEDMO CCOc1cccc(C[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000597174638 347544449 /nfs/dbraw/zinc/54/44/49/347544449.db2.gz SJKSOXCGBYULMK-AWEZNQCLSA-N 1 1 258.365 3.211 20 30 CGEDMO N#CC1(c2ccc(C[N@@H+](C[C@@H]3CCOC3)C3CC3)cc2)CC1 ZINC000596978713 347523776 /nfs/dbraw/zinc/52/37/76/347523776.db2.gz AYVOZVKUIGVOLW-INIZCTEOSA-N 1 1 296.414 3.243 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cc3ccncc3s2)C1 ZINC000597178069 347545276 /nfs/dbraw/zinc/54/52/76/347545276.db2.gz VBKKBXPRDKTESK-LBPRGKRZSA-N 1 1 271.389 3.422 20 30 CGEDMO C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)C[C@@H]1CCCC[C@H]1O ZINC000597073772 347533321 /nfs/dbraw/zinc/53/33/21/347533321.db2.gz AMSXYVGGQQMINI-FUHWJXTLSA-N 1 1 298.430 3.225 20 30 CGEDMO N#CC1(c2ccc(C[N@@H+]3CCCCC[C@H]3CCO)cc2)CC1 ZINC000597121827 347537157 /nfs/dbraw/zinc/53/71/57/347537157.db2.gz RBUVHZVNNSOBFP-SFHVURJKSA-N 1 1 298.430 3.369 20 30 CGEDMO CCc1cccc2cc(C[NH2+]CC3(C#N)CC3)oc21 ZINC000597120723 347537487 /nfs/dbraw/zinc/53/74/87/347537487.db2.gz ILRBYSIMYIHNOG-UHFFFAOYSA-N 1 1 254.333 3.389 20 30 CGEDMO CC1(C)C[C@H](O)CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597143162 347540081 /nfs/dbraw/zinc/54/00/81/347540081.db2.gz DOQHWCLWPCJPCC-QGZVFWFLSA-N 1 1 298.430 3.225 20 30 CGEDMO COc1cc2ccccc2cc1C[NH+]1CC(CC#N)C1 ZINC000597202785 347553576 /nfs/dbraw/zinc/55/35/76/347553576.db2.gz CGFSPTRAPBLDOJ-UHFFFAOYSA-N 1 1 266.344 3.194 20 30 CGEDMO Cc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)c(-c2ccnn2C)c1 ZINC000597232883 347559631 /nfs/dbraw/zinc/55/96/31/347559631.db2.gz XPWNMSXRBFAOBU-GOSISDBHSA-N 1 1 294.402 3.131 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)c(-c2ccnn2C)c1 ZINC000597232883 347559634 /nfs/dbraw/zinc/55/96/34/347559634.db2.gz XPWNMSXRBFAOBU-GOSISDBHSA-N 1 1 294.402 3.131 20 30 CGEDMO Cc1ccc2cc(C[N@@H+]3CC[C@](C)(C#N)C3)ccc2n1 ZINC000597232742 347559700 /nfs/dbraw/zinc/55/97/00/347559700.db2.gz WQEHPJHAWORWKM-QGZVFWFLSA-N 1 1 265.360 3.279 20 30 CGEDMO Cc1ccc2cc(C[N@H+]3CC[C@](C)(C#N)C3)ccc2n1 ZINC000597232742 347559704 /nfs/dbraw/zinc/55/97/04/347559704.db2.gz WQEHPJHAWORWKM-QGZVFWFLSA-N 1 1 265.360 3.279 20 30 CGEDMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598584314 347666248 /nfs/dbraw/zinc/66/62/48/347666248.db2.gz GFHJHVUYZJPXIF-SWLSCSKDSA-N 1 1 278.371 3.119 20 30 CGEDMO CC(C)[N@H+](Cc1ccc(F)cc1)C[C@@H](O)CC(C)(C)C#N ZINC000598586584 347666654 /nfs/dbraw/zinc/66/66/54/347666654.db2.gz IHXDVTHVVMVMJF-INIZCTEOSA-N 1 1 292.398 3.337 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000598588602 347667592 /nfs/dbraw/zinc/66/75/92/347667592.db2.gz JQNIMVJMMUIGRD-ZIAGYGMSSA-N 1 1 278.421 3.186 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC000598601130 347670018 /nfs/dbraw/zinc/67/00/18/347670018.db2.gz ZNPQZRRXUXRLJG-OAHLLOKOSA-N 1 1 286.419 3.081 20 30 CGEDMO CC[C@@H]1Cc2ccccc2C[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598603907 347670640 /nfs/dbraw/zinc/67/06/40/347670640.db2.gz HNJWWLSCLWOSPU-IAGOWNOFSA-N 1 1 286.419 3.124 20 30 CGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCC2(CC2)CC1 ZINC000599673250 347763089 /nfs/dbraw/zinc/76/30/89/347763089.db2.gz MWWFIHLAXBKIJB-CQSZACIVSA-N 1 1 297.402 3.151 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCCC3(CC3)CC2)cc1 ZINC000599673046 347763362 /nfs/dbraw/zinc/76/33/62/347763362.db2.gz LQCGCOVTUIUFHC-UHFFFAOYSA-N 1 1 254.377 3.367 20 30 CGEDMO Cc1cnccc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677357 347764060 /nfs/dbraw/zinc/76/40/60/347764060.db2.gz FZYOLXNDXIAIRZ-UHFFFAOYSA-N 1 1 277.371 3.014 20 30 CGEDMO N#CCc1cccc2c1CC[N@@H+](CCCc1ccncc1)C2 ZINC000599677861 347765475 /nfs/dbraw/zinc/76/54/75/347765475.db2.gz QEMOJCFXKOHZFF-UHFFFAOYSA-N 1 1 291.398 3.139 20 30 CGEDMO COC(=O)[C@@H]1C[C@@H](C)[N@H+](CCCCC(C)(C)C#N)[C@@H](C)C1 ZINC000599693679 347767486 /nfs/dbraw/zinc/76/74/86/347767486.db2.gz FRIGBWUSOQPDLE-QDMKHBRRSA-N 1 1 294.439 3.368 20 30 CGEDMO C[C@@H](CC#N)[N@H+](C)CCc1cccc(C(F)(F)F)c1 ZINC000600116866 347782255 /nfs/dbraw/zinc/78/22/55/347782255.db2.gz FILQWIAPVCJXTR-NSHDSACASA-N 1 1 270.298 3.482 20 30 CGEDMO C[C@@H](CC#N)[N@@H+](C)CCc1cccc(C(F)(F)F)c1 ZINC000600116866 347782257 /nfs/dbraw/zinc/78/22/57/347782257.db2.gz FILQWIAPVCJXTR-NSHDSACASA-N 1 1 270.298 3.482 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@H]2C2CCOCC2)cc1C#N ZINC000599354023 347738850 /nfs/dbraw/zinc/73/88/50/347738850.db2.gz RYUTZCSEUWCRCV-SFHVURJKSA-N 1 1 284.403 3.258 20 30 CGEDMO N#Cc1c(F)cccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599552468 347753788 /nfs/dbraw/zinc/75/37/88/347753788.db2.gz DCRQLZYCBNMUHC-OLZOCXBDSA-N 1 1 276.380 3.167 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599552468 347753790 /nfs/dbraw/zinc/75/37/90/347753790.db2.gz DCRQLZYCBNMUHC-OLZOCXBDSA-N 1 1 276.380 3.167 20 30 CGEDMO CCOc1ccc(C#N)cc1N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000600140157 347783990 /nfs/dbraw/zinc/78/39/90/347783990.db2.gz VGPAGATWVRVADI-AWEZNQCLSA-N 1 1 287.407 3.242 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2cnc(C3CC3)o2)cc1Cl ZINC000600155110 347785690 /nfs/dbraw/zinc/78/56/90/347785690.db2.gz DOCYEDJBQMISSK-UHFFFAOYSA-N 1 1 287.750 3.367 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000600174353 347789054 /nfs/dbraw/zinc/78/90/54/347789054.db2.gz MNCDIWIBOMFDPL-AWEZNQCLSA-N 1 1 282.309 3.483 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000600174353 347789057 /nfs/dbraw/zinc/78/90/57/347789057.db2.gz MNCDIWIBOMFDPL-AWEZNQCLSA-N 1 1 282.309 3.483 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000600185835 347790992 /nfs/dbraw/zinc/79/09/92/347790992.db2.gz NNMMPBDDYGHTQY-CYBMUJFWSA-N 1 1 260.337 3.301 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3Cc4ccc(O)cc4C3)cc2)CC1 ZINC000600185942 347791114 /nfs/dbraw/zinc/79/11/14/347791114.db2.gz VJIXLIGHDYPKQF-UHFFFAOYSA-N 1 1 290.366 3.463 20 30 CGEDMO N#CC1(c2ccc(C[N@@H+]3Cc4ccc(O)cc4C3)cc2)CC1 ZINC000600185942 347791116 /nfs/dbraw/zinc/79/11/16/347791116.db2.gz VJIXLIGHDYPKQF-UHFFFAOYSA-N 1 1 290.366 3.463 20 30 CGEDMO C[C@H]1CCC[N@H+]1Cc1cccc(-c2cnn(CC#N)c2)c1 ZINC000600779469 347834758 /nfs/dbraw/zinc/83/47/58/347834758.db2.gz WZDBUEHWRYZFRZ-AWEZNQCLSA-N 1 1 280.375 3.058 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CC[C@@]1(C)C1CCCCC1 ZINC000601961194 347930176 /nfs/dbraw/zinc/93/01/76/347930176.db2.gz BGBLYCZMEHYYFL-RDJZCZTQSA-N 1 1 278.440 3.332 20 30 CGEDMO CC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@H](C)CCC#N ZINC000602430560 347956178 /nfs/dbraw/zinc/95/61/78/347956178.db2.gz CDNUDTMIOUGXLC-CQSZACIVSA-N 1 1 290.407 3.466 20 30 CGEDMO C[C@@H](C#N)C[N@H+](C)Cc1ccccc1CC(F)(F)F ZINC000602447044 347959495 /nfs/dbraw/zinc/95/94/95/347959495.db2.gz KTJJFYCECUJCRR-NSHDSACASA-N 1 1 270.298 3.383 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C)Cc1ccccc1CC(F)(F)F ZINC000602447044 347959497 /nfs/dbraw/zinc/95/94/97/347959497.db2.gz KTJJFYCECUJCRR-NSHDSACASA-N 1 1 270.298 3.383 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000602472847 347963904 /nfs/dbraw/zinc/96/39/04/347963904.db2.gz CRWZNDCKNLEXHU-ZBFHGGJFSA-N 1 1 264.413 3.350 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCC[C@H]1CCO1 ZINC000602486565 347967932 /nfs/dbraw/zinc/96/79/32/347967932.db2.gz UPEHQJBIRLIAKN-RCCFBDPRSA-N 1 1 284.403 3.327 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)C[C@H]1CCO[C@@H]1C ZINC000602775811 348027636 /nfs/dbraw/zinc/02/76/36/348027636.db2.gz BEZHQCOSSUWLDN-UKRRQHHQSA-N 1 1 252.402 3.063 20 30 CGEDMO C[C@H](CCC#N)C[NH2+]CC[C@@H](C)N(C)Cc1ccccc1 ZINC000602572748 347985904 /nfs/dbraw/zinc/98/59/04/347985904.db2.gz MAQKKCNPEKTGGW-IAGOWNOFSA-N 1 1 287.451 3.426 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000602612081 347994019 /nfs/dbraw/zinc/99/40/19/347994019.db2.gz YZBOTASQWHRAKF-SJLPKXTDSA-N 1 1 283.419 3.139 20 30 CGEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC2(CC#N)CC2)C1 ZINC000602783997 348028196 /nfs/dbraw/zinc/02/81/96/348028196.db2.gz GHQUKZMUEFVBMP-DLBZAZTESA-N 1 1 289.467 3.267 20 30 CGEDMO COC(=O)[C@H](CC1CCCCC1)[NH2+]C[C@H](C)CCC#N ZINC000602634710 347997707 /nfs/dbraw/zinc/99/77/07/347997707.db2.gz OHQKAQAVZYVHFO-HIFRSBDPSA-N 1 1 280.412 3.028 20 30 CGEDMO COC[C@H](Cc1ccccc1)[N@@H+](C)C[C@@H](C)CCC#N ZINC000602641435 347999275 /nfs/dbraw/zinc/99/92/75/347999275.db2.gz FEZXSPVCMMCOHU-RDJZCZTQSA-N 1 1 274.408 3.116 20 30 CGEDMO N#CC1CCC([NH2+]CC(F)(F)c2ccccc2)CC1 ZINC000602644977 347999908 /nfs/dbraw/zinc/99/99/08/347999908.db2.gz NIGVAXSCKGPHCA-UHFFFAOYSA-N 1 1 264.319 3.450 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000602647539 348000763 /nfs/dbraw/zinc/00/07/63/348000763.db2.gz TYBAHHVSOOZGBA-LSDHHAIUSA-N 1 1 289.398 3.276 20 30 CGEDMO N#CC1CCC([NH2+]C[C@@H]2CCCN2C2CCCCC2)CC1 ZINC000602646639 348000790 /nfs/dbraw/zinc/00/07/90/348000790.db2.gz RGHMNDMNWJUZGJ-HTWSVDAQSA-N 1 1 289.467 3.455 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000602667349 348004367 /nfs/dbraw/zinc/00/43/67/348004367.db2.gz QHDLAHHGORACIE-CQSZACIVSA-N 1 1 282.391 3.448 20 30 CGEDMO Cc1cccc(C[N@@H+](C)Cc2cccc(C#N)n2)c1C ZINC000602674783 348006543 /nfs/dbraw/zinc/00/65/43/348006543.db2.gz ZWWVIQNCRBPCAU-UHFFFAOYSA-N 1 1 265.360 3.202 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000602691042 348009680 /nfs/dbraw/zinc/00/96/80/348009680.db2.gz BDTBTVOCEAQUCK-ZIAGYGMSSA-N 1 1 255.365 3.491 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCC[C@H]1CCO1 ZINC000602692399 348010771 /nfs/dbraw/zinc/01/07/71/348010771.db2.gz NCIPQFSXQMTJHH-CJNGLKHVSA-N 1 1 258.365 3.120 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000602702605 348012649 /nfs/dbraw/zinc/01/26/49/348012649.db2.gz UMOAFWKDXNFYDJ-HOCLYGCPSA-N 1 1 258.365 3.080 20 30 CGEDMO CC(C)(C[N@H+]1CCC[C@H](CC#N)C1)Oc1ccccc1 ZINC000602707360 348014523 /nfs/dbraw/zinc/01/45/23/348014523.db2.gz UHNFYJGVODQHRV-OAHLLOKOSA-N 1 1 272.392 3.470 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CC[C@@H](O)C[C@H]2c2ccccc2)c1 ZINC000602730293 348019875 /nfs/dbraw/zinc/01/98/75/348019875.db2.gz FBRTVQPJPBMTRI-WBVHZDCISA-N 1 1 298.411 3.318 20 30 CGEDMO CC[C@@H](C)[C@H](C[N@H+]1CCc2c(CC#N)cccc2C1)OC ZINC000602731908 348020270 /nfs/dbraw/zinc/02/02/70/348020270.db2.gz YUUVTBLXNORAJT-KDOFPFPSSA-N 1 1 286.419 3.172 20 30 CGEDMO COc1ccc2c(c1)CCC[N@H+](CC1(CC#N)CC1)C2 ZINC000602772222 348025943 /nfs/dbraw/zinc/02/59/43/348025943.db2.gz LGXSQIMBWXXGSX-UHFFFAOYSA-N 1 1 270.376 3.137 20 30 CGEDMO COc1ccccc1[C@H]1CC[N@@H+](CC2(CC#N)CC2)C1 ZINC000602780799 348027447 /nfs/dbraw/zinc/02/74/47/348027447.db2.gz SBQDSBUCSMULPO-AWEZNQCLSA-N 1 1 270.376 3.178 20 30 CGEDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2CC2(CC#N)CC2)C1 ZINC000602829751 348034834 /nfs/dbraw/zinc/03/48/34/348034834.db2.gz VJZCQZXPQXMTLN-QZWWFDLISA-N 1 1 290.451 3.332 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCC[C@H](c2cccnc2)C1 ZINC000602857714 348037328 /nfs/dbraw/zinc/03/73/28/348037328.db2.gz YJOFZOJTDFMVAW-SFHVURJKSA-N 1 1 277.371 3.333 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H]1c1ncccn1 ZINC000602896167 348040923 /nfs/dbraw/zinc/04/09/23/348040923.db2.gz CZYOFAHFDUFGSV-CQSZACIVSA-N 1 1 272.396 3.334 20 30 CGEDMO CCC1([NH+](C)C)CCN(CCCC(C)(C)C#N)CC1 ZINC000602967821 348047663 /nfs/dbraw/zinc/04/76/63/348047663.db2.gz RWAFQRMCYUCDST-UHFFFAOYSA-N 1 1 265.445 3.123 20 30 CGEDMO CCOc1ccccc1OCC[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602977774 348049455 /nfs/dbraw/zinc/04/94/55/348049455.db2.gz HCDDFZRUAZBOAZ-GJZGRUSLSA-N 1 1 288.391 3.088 20 30 CGEDMO CCOc1ccccc1OCC[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602977774 348049456 /nfs/dbraw/zinc/04/94/56/348049456.db2.gz HCDDFZRUAZBOAZ-GJZGRUSLSA-N 1 1 288.391 3.088 20 30 CGEDMO C[N@H+](CCc1cccc(F)c1F)[C@@H]1CCC[C@@H]1C#N ZINC000602979638 348050232 /nfs/dbraw/zinc/05/02/32/348050232.db2.gz GPGXPXFWAAZGJY-TZMCWYRMSA-N 1 1 264.319 3.131 20 30 CGEDMO C[N@@H+](CCc1cccc(F)c1F)[C@@H]1CCC[C@@H]1C#N ZINC000602979638 348050235 /nfs/dbraw/zinc/05/02/35/348050235.db2.gz GPGXPXFWAAZGJY-TZMCWYRMSA-N 1 1 264.319 3.131 20 30 CGEDMO C[N@@H+](CCCCOC(C)(C)C)[C@H]1CCC[C@@H]1C#N ZINC000602979180 348050349 /nfs/dbraw/zinc/05/03/49/348050349.db2.gz ATEJOMYJCOYYHC-KGLIPLIRSA-N 1 1 252.402 3.206 20 30 CGEDMO CO[C@H](C[N@H+](C)[C@H]1CCC[C@@H]1C#N)c1ccc(F)cc1 ZINC000602981317 348051577 /nfs/dbraw/zinc/05/15/77/348051577.db2.gz BFYMHVYAGFXZMZ-VNQPRFMTSA-N 1 1 276.355 3.137 20 30 CGEDMO CO[C@H](C[N@@H+](C)[C@H]1CCC[C@@H]1C#N)c1ccc(F)cc1 ZINC000602981317 348051580 /nfs/dbraw/zinc/05/15/80/348051580.db2.gz BFYMHVYAGFXZMZ-VNQPRFMTSA-N 1 1 276.355 3.137 20 30 CGEDMO C[N@H+](CCc1c(F)cccc1F)[C@@H]1CCC[C@@H]1C#N ZINC000602982296 348052335 /nfs/dbraw/zinc/05/23/35/348052335.db2.gz QJKDILXZSNCAIY-IAQYHMDHSA-N 1 1 264.319 3.131 20 30 CGEDMO C[N@@H+](CCc1c(F)cccc1F)[C@@H]1CCC[C@@H]1C#N ZINC000602982296 348052337 /nfs/dbraw/zinc/05/23/37/348052337.db2.gz QJKDILXZSNCAIY-IAQYHMDHSA-N 1 1 264.319 3.131 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H]1CCOC(C)(C)C1 ZINC000351919701 219247944 /nfs/dbraw/zinc/24/79/44/219247944.db2.gz SHCLWKCJDKJVME-HNNXBMFYSA-N 1 1 290.382 3.477 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](O)COc1ccc2ccccc2c1 ZINC000605743061 348167643 /nfs/dbraw/zinc/16/76/43/348167643.db2.gz PYNHFEKYIDPUGK-SFHVURJKSA-N 1 1 299.414 3.478 20 30 CGEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000607058217 348216561 /nfs/dbraw/zinc/21/65/61/348216561.db2.gz HFAPQMONJYYOFN-CQSZACIVSA-N 1 1 288.435 3.107 20 30 CGEDMO CC[N@@H+](Cc1cn2ccccc2c1C#N)C1CCC1 ZINC000610001975 348359956 /nfs/dbraw/zinc/35/99/56/348359956.db2.gz QFNNBRPUJWDGQX-UHFFFAOYSA-N 1 1 253.349 3.185 20 30 CGEDMO C[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1C#N ZINC000610161381 348363950 /nfs/dbraw/zinc/36/39/50/348363950.db2.gz PVIIRBWMYXSYDK-AWEZNQCLSA-N 1 1 298.361 3.080 20 30 CGEDMO C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1C#N ZINC000610161381 348363953 /nfs/dbraw/zinc/36/39/53/348363953.db2.gz PVIIRBWMYXSYDK-AWEZNQCLSA-N 1 1 298.361 3.080 20 30 CGEDMO COc1ccc([C@H](C)[N@@H+](C)Cc2ccnc(C#N)c2)cc1 ZINC000610995271 348417560 /nfs/dbraw/zinc/41/75/60/348417560.db2.gz DEUNPFRFTRMTAT-ZDUSSCGKSA-N 1 1 281.359 3.155 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C#N)s1)C1CCCC1 ZINC000611257682 348431906 /nfs/dbraw/zinc/43/19/06/348431906.db2.gz IUYCWKVGJGVFKY-UHFFFAOYSA-N 1 1 264.394 3.011 20 30 CGEDMO C[C@H](C#N)C[N@H+](C[C@@H]1CCOc2ccccc21)C1CC1 ZINC000611276074 348433947 /nfs/dbraw/zinc/43/39/47/348433947.db2.gz HVMLACKDRGPHFX-KGLIPLIRSA-N 1 1 270.376 3.177 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C[C@@H]1CCOc2ccccc21)C1CC1 ZINC000611276074 348433953 /nfs/dbraw/zinc/43/39/53/348433953.db2.gz HVMLACKDRGPHFX-KGLIPLIRSA-N 1 1 270.376 3.177 20 30 CGEDMO N#Cc1csc(C[N@H+]2CC[C@H](c3ccco3)C2)c1 ZINC000611271251 348434230 /nfs/dbraw/zinc/43/42/30/348434230.db2.gz AYMCMFAOTIQGNY-LBPRGKRZSA-N 1 1 258.346 3.202 20 30 CGEDMO C=C(CC)C[N@@H+](CCC(=O)OC)Cc1ccccc1 ZINC000611346967 348440287 /nfs/dbraw/zinc/44/02/87/348440287.db2.gz URPKWQLRXQFKFH-UHFFFAOYSA-N 1 1 261.365 3.018 20 30 CGEDMO CC(C)[N@@H+]1CCCC[C@H]1CN[C@@H](C)c1cccc(C#N)c1 ZINC000611438829 348452513 /nfs/dbraw/zinc/45/25/13/348452513.db2.gz BIZFKLZJLBEENM-YJBOKZPZSA-N 1 1 285.435 3.472 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@H]1CN[C@@H](C)c1cccc(C#N)c1 ZINC000611438829 348452514 /nfs/dbraw/zinc/45/25/14/348452514.db2.gz BIZFKLZJLBEENM-YJBOKZPZSA-N 1 1 285.435 3.472 20 30 CGEDMO CC[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(F)cn1 ZINC000611519523 348457983 /nfs/dbraw/zinc/45/79/83/348457983.db2.gz PWMJPDHMQJQEGJ-HNNXBMFYSA-N 1 1 287.313 3.472 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1ccc2c(c1)CCC2 ZINC000612094412 348493066 /nfs/dbraw/zinc/49/30/66/348493066.db2.gz XXRQWJGMZGVLNN-UHFFFAOYSA-N 1 1 272.392 3.012 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1ccc2c(c1)CCC2 ZINC000612094412 348493067 /nfs/dbraw/zinc/49/30/67/348493067.db2.gz XXRQWJGMZGVLNN-UHFFFAOYSA-N 1 1 272.392 3.012 20 30 CGEDMO Cc1ccncc1[C@@H](C)[NH2+]Cc1cccc(C#N)c1F ZINC000611939152 348481662 /nfs/dbraw/zinc/48/16/62/348481662.db2.gz ONJKJVRBJZRDBM-GFCCVEGCSA-N 1 1 269.323 3.252 20 30 CGEDMO Cc1ccc(-c2n[nH]cc2C[NH2+]CC(C)(C)C#N)cc1 ZINC000612585184 348530657 /nfs/dbraw/zinc/53/06/57/348530657.db2.gz QLMGVDRDENQDPJ-UHFFFAOYSA-N 1 1 268.364 3.025 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000613415805 348599024 /nfs/dbraw/zinc/59/90/24/348599024.db2.gz MLFWHEKMBUNZRB-ULQDDVLXSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000613479454 348609315 /nfs/dbraw/zinc/60/93/15/348609315.db2.gz BXZVCYAODVVRRQ-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C[C@@H]1CCC[C@H]1O ZINC000614177452 348655148 /nfs/dbraw/zinc/65/51/48/348655148.db2.gz NPTCMEJRUYQSMF-DOTOQJQBSA-N 1 1 286.419 3.081 20 30 CGEDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176752 348655350 /nfs/dbraw/zinc/65/53/50/348655350.db2.gz CBPAWUGCLRFQQO-LSDHHAIUSA-N 1 1 285.435 3.012 20 30 CGEDMO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176752 348655353 /nfs/dbraw/zinc/65/53/53/348655353.db2.gz CBPAWUGCLRFQQO-LSDHHAIUSA-N 1 1 285.435 3.012 20 30 CGEDMO C[C@@H]1CN(C)[C@@H](C)C[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176752 348655357 /nfs/dbraw/zinc/65/53/57/348655357.db2.gz CBPAWUGCLRFQQO-LSDHHAIUSA-N 1 1 285.435 3.012 20 30 CGEDMO COc1ccc(-c2ccncc2)cc1C[NH2+]CC(C)(C)C#N ZINC000614247792 348662193 /nfs/dbraw/zinc/66/21/93/348662193.db2.gz YYIURJJMBKLASJ-UHFFFAOYSA-N 1 1 295.386 3.397 20 30 CGEDMO CO[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CC[C@H]1C ZINC000615236134 348725964 /nfs/dbraw/zinc/72/59/64/348725964.db2.gz ZYKKNKDTFDUVMX-PBHICJAKSA-N 1 1 286.419 3.345 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+](C)C1Cc2ccccc2C1 ZINC000614397712 348673065 /nfs/dbraw/zinc/67/30/65/348673065.db2.gz UCAZTDPLHZBTLT-UHFFFAOYSA-N 1 1 276.383 3.466 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+](C)CCOC(C)(C)C ZINC000614402397 348674042 /nfs/dbraw/zinc/67/40/42/348674042.db2.gz DIRGYBLHMYUXRG-UHFFFAOYSA-N 1 1 260.381 3.114 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@@H](CCO)c1ccccc1 ZINC000614402350 348674299 /nfs/dbraw/zinc/67/42/99/348674299.db2.gz USHYNSWWMMZEDI-IBGZPJMESA-N 1 1 294.398 3.422 20 30 CGEDMO C=CCCc1ccccc1NC(=O)[C@H]1CCc2[nH]cnc2C1 ZINC000614479961 348679630 /nfs/dbraw/zinc/67/96/30/348679630.db2.gz TWARZAIVOLRBOL-AWEZNQCLSA-N 1 1 295.386 3.272 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](C(F)F)C1 ZINC000615444967 348740228 /nfs/dbraw/zinc/74/02/28/348740228.db2.gz RAIUEDILZFYPJA-MFKMUULPSA-N 1 1 250.292 3.206 20 30 CGEDMO Cn1cc([C@@H]([NH2+]Cc2ccccc2C#N)C(C)(C)C)cn1 ZINC000339503021 215216219 /nfs/dbraw/zinc/21/62/19/215216219.db2.gz XIQNHGGOHDCHTC-MRXNPFEDSA-N 1 1 282.391 3.169 20 30 CGEDMO CCn1ccc(C[N@H+](C)Cc2ccc(C#N)cc2OC)c1 ZINC000616785284 348877277 /nfs/dbraw/zinc/87/72/77/348877277.db2.gz KMPCYKQYDWUQJA-UHFFFAOYSA-N 1 1 283.375 3.020 20 30 CGEDMO CCn1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2OC)c1 ZINC000616785284 348877279 /nfs/dbraw/zinc/87/72/79/348877279.db2.gz KMPCYKQYDWUQJA-UHFFFAOYSA-N 1 1 283.375 3.020 20 30 CGEDMO C=CC[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000617782955 349011608 /nfs/dbraw/zinc/01/16/08/349011608.db2.gz PVPUHSOBFJLMFE-RDJZCZTQSA-N 1 1 286.419 3.104 20 30 CGEDMO Cc1c([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)cnn1C ZINC000358562500 233155756 /nfs/dbraw/zinc/15/57/56/233155756.db2.gz GWUSTPHKPOPGBN-QWRGUYRKSA-N 1 1 286.354 3.151 20 30 CGEDMO Cc1cc(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)ccc1C#N ZINC000618602883 349119624 /nfs/dbraw/zinc/11/96/24/349119624.db2.gz SJWVKAPNMSJBLA-SFHVURJKSA-N 1 1 291.398 3.326 20 30 CGEDMO CC(C)N1CCC([NH2+][C@@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618801708 349156156 /nfs/dbraw/zinc/15/61/56/349156156.db2.gz BUONKSKWWRYQKX-GOSISDBHSA-N 1 1 283.419 3.008 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000619179441 349217553 /nfs/dbraw/zinc/21/75/53/349217553.db2.gz BEYPOIDIFFBXNR-MRXNPFEDSA-N 1 1 272.392 3.114 20 30 CGEDMO Cc1c(C[N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)cnn1C ZINC000619184112 349218491 /nfs/dbraw/zinc/21/84/91/349218491.db2.gz AIQZYJOTEUOFGW-UHFFFAOYSA-N 1 1 296.418 3.162 20 30 CGEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1cocn1 ZINC000619508561 349254492 /nfs/dbraw/zinc/25/44/92/349254492.db2.gz LQBSCIZBMUUJIT-INIZCTEOSA-N 1 1 267.332 3.104 20 30 CGEDMO C[C@H](C[N@H+](CCC#N)Cc1cccnc1)C(C)(C)C ZINC000619844087 349286472 /nfs/dbraw/zinc/28/64/72/349286472.db2.gz PXJKQJREOUIBHK-CQSZACIVSA-N 1 1 259.397 3.479 20 30 CGEDMO C[C@H](C[N@@H+](CCC#N)Cc1cccnc1)C(C)(C)C ZINC000619844087 349286475 /nfs/dbraw/zinc/28/64/75/349286475.db2.gz PXJKQJREOUIBHK-CQSZACIVSA-N 1 1 259.397 3.479 20 30 CGEDMO C=CCCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000620861500 349430992 /nfs/dbraw/zinc/43/09/92/349430992.db2.gz SIDIBKBYHKPOPL-HZSPNIEDSA-N 1 1 266.429 3.109 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)c1c[nH]c2ccc(F)cc12 ZINC000625176649 350136208 /nfs/dbraw/zinc/13/62/08/350136208.db2.gz IIGPTOZKGDITQR-UHFFFAOYSA-N 1 1 274.339 3.388 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000625315065 350157185 /nfs/dbraw/zinc/15/71/85/350157185.db2.gz SGRSQBDQRNYIRE-AWEZNQCLSA-N 1 1 296.773 3.092 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000625315065 350157187 /nfs/dbraw/zinc/15/71/87/350157187.db2.gz SGRSQBDQRNYIRE-AWEZNQCLSA-N 1 1 296.773 3.092 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000625699620 350197461 /nfs/dbraw/zinc/19/74/61/350197461.db2.gz BEHBLHZLSMJLRV-INIZCTEOSA-N 1 1 281.403 3.329 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cnc(OC)c(Cl)c2)C1 ZINC000625700315 350198140 /nfs/dbraw/zinc/19/81/40/350198140.db2.gz BBUAISKGYFAYNP-LLVKDONJSA-N 1 1 266.772 3.142 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CCCCCn2cc(C)cn2)C1 ZINC000625702489 350199314 /nfs/dbraw/zinc/19/93/14/350199314.db2.gz YSRSBRXYYSKALQ-MRXNPFEDSA-N 1 1 261.413 3.260 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](CC(=O)N(Cc2ccccc2)C2CC2)C1 ZINC000625702186 350199561 /nfs/dbraw/zinc/19/95/61/350199561.db2.gz DYXPPBJHNYXYSW-MRXNPFEDSA-N 1 1 298.430 3.076 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000625702190 350199994 /nfs/dbraw/zinc/19/99/94/350199994.db2.gz FAGMGLHBGQHBBR-CYBMUJFWSA-N 1 1 276.355 3.052 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2cnc3ccccc3n2)C1 ZINC000625703789 350200027 /nfs/dbraw/zinc/20/00/27/350200027.db2.gz SSBLFLHEYUYHKE-CYBMUJFWSA-N 1 1 253.349 3.028 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](CC(=O)c2c[nH]c3ccccc23)C1 ZINC000625705688 350200927 /nfs/dbraw/zinc/20/09/27/350200927.db2.gz XEWQOVGTUFCOGB-ZDUSSCGKSA-N 1 1 268.360 3.249 20 30 CGEDMO C=CCN[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000625983676 350240458 /nfs/dbraw/zinc/24/04/58/350240458.db2.gz XKZNVMLJKQRYIT-CYBMUJFWSA-N 1 1 273.207 3.372 20 30 CGEDMO C=CCOc1ccc(Cn2c[nH+]c3c2CCCC3)cc1OC ZINC000628371190 350517795 /nfs/dbraw/zinc/51/77/95/350517795.db2.gz FAHSFWYIWPWEST-UHFFFAOYSA-N 1 1 298.386 3.384 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cnc3c(C)cccn23)C1 ZINC000628405183 350528842 /nfs/dbraw/zinc/52/88/42/350528842.db2.gz FZZZTKNPFCNJTE-AWEZNQCLSA-N 1 1 255.365 3.041 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000628406494 350529857 /nfs/dbraw/zinc/52/98/57/350529857.db2.gz KVYNNOVRVORPRV-AWEZNQCLSA-N 1 1 285.366 3.409 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC000630623064 350862565 /nfs/dbraw/zinc/86/25/65/350862565.db2.gz XNEVEXXPTWOBSW-UHFFFAOYSA-N 1 1 298.430 3.077 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634735379 351580957 /nfs/dbraw/zinc/58/09/57/351580957.db2.gz FSROXQYAMOQQEI-OAHLLOKOSA-N 1 1 297.345 3.107 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634735379 351580960 /nfs/dbraw/zinc/58/09/60/351580960.db2.gz FSROXQYAMOQQEI-OAHLLOKOSA-N 1 1 297.345 3.107 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000122942996 187061495 /nfs/dbraw/zinc/06/14/95/187061495.db2.gz MBLBSSLNHXYOKX-UONOGXRCSA-N 1 1 251.395 3.212 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1c(CC)cccc1CC)C1CC1 ZINC000271471049 191156388 /nfs/dbraw/zinc/15/63/88/191156388.db2.gz RAPGHHVAWYMTCW-UHFFFAOYSA-N 1 1 286.419 3.400 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1c(CC)cccc1CC)C1CC1 ZINC000271471049 191156389 /nfs/dbraw/zinc/15/63/89/191156389.db2.gz RAPGHHVAWYMTCW-UHFFFAOYSA-N 1 1 286.419 3.400 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000271487326 191168208 /nfs/dbraw/zinc/16/82/08/191168208.db2.gz LGWBPZNUYYVFNN-LBPRGKRZSA-N 1 1 278.783 3.217 20 30 CGEDMO C=CC[N@H+](C)Cc1cc(OC)c(OC)cc1SC ZINC000152647247 188034777 /nfs/dbraw/zinc/03/47/77/188034777.db2.gz WAXGZLVJBCGUDJ-UHFFFAOYSA-N 1 1 267.394 3.044 20 30 CGEDMO CC[C@@H](CSC)[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000157973161 522603558 /nfs/dbraw/zinc/60/35/58/522603558.db2.gz OCIUNIKXDSRSNQ-HNNXBMFYSA-N 1 1 292.448 3.401 20 30 CGEDMO N#CCCCC[N@@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000157664182 188330791 /nfs/dbraw/zinc/33/07/91/188330791.db2.gz FRKOICVQUHHBEE-HNNXBMFYSA-N 1 1 288.366 3.414 20 30 CGEDMO CC(C)c1nnc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)[nH]1 ZINC000271878801 191385634 /nfs/dbraw/zinc/38/56/34/191385634.db2.gz OTEZBXJJHARKIH-NWDGAFQWSA-N 1 1 283.379 3.212 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c1 ZINC000186438110 283205517 /nfs/dbraw/zinc/20/55/17/283205517.db2.gz PXUWWVVSSCQWIV-LJQANCHMSA-N 1 1 290.366 3.190 20 30 CGEDMO C[C@@H]1CC[C@@H](C)[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000088704467 138342614 /nfs/dbraw/zinc/34/26/14/138342614.db2.gz MOYJRLCBTCUBLF-ZIAGYGMSSA-N 1 1 285.391 3.007 20 30 CGEDMO CC[C@H]1CC[C@H](C)[N@H+]1CCOc1ccccc1C#N ZINC000124572296 138376272 /nfs/dbraw/zinc/37/62/72/138376272.db2.gz ANDLBCDQCZTUAP-ZFWWWQNUSA-N 1 1 258.365 3.200 20 30 CGEDMO CC(C)C[C@@H]1CCCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191398079 138471799 /nfs/dbraw/zinc/47/17/99/138471799.db2.gz PHTZFEDYGHTKJV-HNNXBMFYSA-N 1 1 259.397 3.297 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@H]1C ZINC000336257606 213093218 /nfs/dbraw/zinc/09/32/18/213093218.db2.gz PLXXPINMAVWRTL-IAQYHMDHSA-N 1 1 278.783 3.068 20 30 CGEDMO Cc1oncc1C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425530362 236257943 /nfs/dbraw/zinc/25/79/43/236257943.db2.gz FABMCQVTAMLZOM-LLVKDONJSA-N 1 1 255.321 3.048 20 30 CGEDMO Cc1oncc1C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425530362 236257946 /nfs/dbraw/zinc/25/79/46/236257946.db2.gz FABMCQVTAMLZOM-LLVKDONJSA-N 1 1 255.321 3.048 20 30 CGEDMO Cc1cccnc1C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425367035 236238707 /nfs/dbraw/zinc/23/87/07/236238707.db2.gz RPOLJDZJCSFJOA-CQSZACIVSA-N 1 1 265.360 3.455 20 30 CGEDMO CO[C@@H](C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1)C1CC1 ZINC000425413553 236245421 /nfs/dbraw/zinc/24/54/21/236245421.db2.gz BREARUCMSOBYQS-SFHVURJKSA-N 1 1 282.387 3.072 20 30 CGEDMO N#Cc1c(F)cccc1C[NH2+][C@@H](CCCO)c1ccccc1 ZINC000428322908 236393271 /nfs/dbraw/zinc/39/32/71/236393271.db2.gz IFCTYAASFAIMCU-SFHVURJKSA-N 1 1 298.361 3.301 20 30 CGEDMO Cc1cn2cc(Nc3c(C#N)cccc3C#N)ccc2[nH+]1 ZINC000436402476 237095094 /nfs/dbraw/zinc/09/50/94/237095094.db2.gz XGNIBSACHMKGTN-UHFFFAOYSA-N 1 1 273.299 3.130 20 30 CGEDMO COc1ccc(C2([NH2+]Cc3cc(C#N)ccc3F)CC2)cc1 ZINC000341682207 216063835 /nfs/dbraw/zinc/06/38/35/216063835.db2.gz HYQHCLMBABHACW-UHFFFAOYSA-N 1 1 296.345 3.485 20 30 CGEDMO N#Cc1cccc(C2([NH2+]Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000341939807 216159824 /nfs/dbraw/zinc/15/98/24/216159824.db2.gz ANIBGWHJSPRJFO-UHFFFAOYSA-N 1 1 293.326 3.245 20 30 CGEDMO CO[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(F)c2C#N)C12CCC2 ZINC000451832143 240367982 /nfs/dbraw/zinc/36/79/82/240367982.db2.gz GOSTYLMKLVDJGJ-HZPDHXFCSA-N 1 1 288.366 3.087 20 30 CGEDMO CO[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(F)c2C#N)C12CCC2 ZINC000451832143 240367987 /nfs/dbraw/zinc/36/79/87/240367987.db2.gz GOSTYLMKLVDJGJ-HZPDHXFCSA-N 1 1 288.366 3.087 20 30 CGEDMO CCC[C@H]1CCCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000179511394 189198948 /nfs/dbraw/zinc/19/89/48/189198948.db2.gz UXWCQBHGYQRHBZ-IRXDYDNUSA-N 1 1 272.392 3.246 20 30 CGEDMO COc1ccccc1C[N@H+](C)Cc1ccc(C#N)cc1OC ZINC000179654541 189210452 /nfs/dbraw/zinc/21/04/52/189210452.db2.gz RSNLEJSKYOMHSR-UHFFFAOYSA-N 1 1 296.370 3.207 20 30 CGEDMO COc1ccccc1C[N@@H+](C)Cc1ccc(C#N)cc1OC ZINC000179654541 189210453 /nfs/dbraw/zinc/21/04/53/189210453.db2.gz RSNLEJSKYOMHSR-UHFFFAOYSA-N 1 1 296.370 3.207 20 30 CGEDMO N#Cc1ccc(C[NH+]2CCC(C(=O)c3ccccc3)CC2)o1 ZINC000179878624 189225431 /nfs/dbraw/zinc/22/54/31/189225431.db2.gz CSSXIEPXZWAYCL-UHFFFAOYSA-N 1 1 294.354 3.246 20 30 CGEDMO CC[C@@H](CN[C@@H](C)c1ccc(C#N)cc1)[NH+]1CCCC1 ZINC000181477045 189297701 /nfs/dbraw/zinc/29/77/01/189297701.db2.gz FPARMYCCRAEMLG-YOEHRIQHSA-N 1 1 271.408 3.083 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1ccc(C#N)cc1 ZINC000302149634 201366983 /nfs/dbraw/zinc/36/69/83/201366983.db2.gz AVFKXPCHBBRNJO-BEFAXECRSA-N 1 1 291.398 3.491 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000537648735 376190509 /nfs/dbraw/zinc/19/05/09/376190509.db2.gz ZMJWMMYFSLIILC-OAHLLOKOSA-N 1 1 257.377 3.483 20 30 CGEDMO N#Cc1cccc(C[NH2+][C@H]2COc3ccc(Cl)cc32)c1 ZINC000336359321 213208872 /nfs/dbraw/zinc/20/88/72/213208872.db2.gz XOFPUMLLMPLLKW-HNNXBMFYSA-N 1 1 284.746 3.435 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1 ZINC000335675766 212395702 /nfs/dbraw/zinc/39/57/02/212395702.db2.gz MWDDRDHXBJGPOH-LSDHHAIUSA-N 1 1 288.416 3.153 20 30 CGEDMO N#Cc1csc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1 ZINC000335675766 212395703 /nfs/dbraw/zinc/39/57/03/212395703.db2.gz MWDDRDHXBJGPOH-LSDHHAIUSA-N 1 1 288.416 3.153 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+]([C@H](C)C1CC1)C1CC1 ZINC000120635282 370787718 /nfs/dbraw/zinc/78/77/18/370787718.db2.gz GIDXNTNCSURHDO-GFCCVEGCSA-N 1 1 270.376 3.330 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000121315973 370850355 /nfs/dbraw/zinc/85/03/55/370850355.db2.gz WENXQYKSRIJUAF-INIZCTEOSA-N 1 1 281.359 3.232 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000121315973 370850360 /nfs/dbraw/zinc/85/03/60/370850360.db2.gz WENXQYKSRIJUAF-INIZCTEOSA-N 1 1 281.359 3.232 20 30 CGEDMO C=CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000121428399 370859344 /nfs/dbraw/zinc/85/93/44/370859344.db2.gz GMTSAVZZPODJEN-VIFPVBQESA-N 1 1 287.190 3.438 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000121428399 370859348 /nfs/dbraw/zinc/85/93/48/370859348.db2.gz GMTSAVZZPODJEN-VIFPVBQESA-N 1 1 287.190 3.438 20 30 CGEDMO C=CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000121450407 370862374 /nfs/dbraw/zinc/86/23/74/370862374.db2.gz RDKJGHPDFYAVDM-JTQLQIEISA-N 1 1 286.297 3.150 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F ZINC000121450407 370862376 /nfs/dbraw/zinc/86/23/76/370862376.db2.gz RDKJGHPDFYAVDM-JTQLQIEISA-N 1 1 286.297 3.150 20 30 CGEDMO C=CC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000121513999 370868894 /nfs/dbraw/zinc/86/88/94/370868894.db2.gz SRYNSLNEYNZHKT-LLVKDONJSA-N 1 1 266.772 3.093 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000121513999 370868896 /nfs/dbraw/zinc/86/88/96/370868896.db2.gz SRYNSLNEYNZHKT-LLVKDONJSA-N 1 1 266.772 3.093 20 30 CGEDMO CC1(C)CCC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000353281127 220007157 /nfs/dbraw/zinc/00/71/57/220007157.db2.gz BGPBWVKCSIIQHS-UHFFFAOYSA-N 1 1 267.376 3.433 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)C2CCN(CC)CC2)cc1 ZINC000125197074 370933233 /nfs/dbraw/zinc/93/32/33/370933233.db2.gz QHODBFHFPFLOGL-UHFFFAOYSA-N 1 1 288.435 3.168 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](CC)CC2CC2)cc1OC ZINC000125653935 370938578 /nfs/dbraw/zinc/93/85/78/370938578.db2.gz IZMRPMYMYAPIKW-UHFFFAOYSA-N 1 1 275.392 3.492 20 30 CGEDMO C=CC[NH2+][C@@H](c1nc2ccccc2n1C)c1ccccc1 ZINC000125992776 370943226 /nfs/dbraw/zinc/94/32/26/370943226.db2.gz IQVLALTURSAGJT-QGZVFWFLSA-N 1 1 277.371 3.438 20 30 CGEDMO CC(C)(C)[C@H]1CCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000330620901 203050085 /nfs/dbraw/zinc/05/00/85/203050085.db2.gz LFIMGSWKBMFMDW-GFCCVEGCSA-N 1 1 291.420 3.069 20 30 CGEDMO CC(C)(C)[C@H]1CCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000330620901 203050089 /nfs/dbraw/zinc/05/00/89/203050089.db2.gz LFIMGSWKBMFMDW-GFCCVEGCSA-N 1 1 291.420 3.069 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000034673940 368976735 /nfs/dbraw/zinc/97/67/35/368976735.db2.gz URDXSNNICZUNAV-CQSZACIVSA-N 1 1 258.365 3.059 20 30 CGEDMO C[N@H+]1CCN(Cc2ccccc2C#N)[C@H](c2ccccc2)C1 ZINC000034790050 368977770 /nfs/dbraw/zinc/97/77/70/368977770.db2.gz XRCVVTHRUGBAFN-IBGZPJMESA-N 1 1 291.398 3.047 20 30 CGEDMO C=C(Br)C[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000037900863 369123763 /nfs/dbraw/zinc/12/37/63/369123763.db2.gz MIUIZAWCRHRQTG-JTQLQIEISA-N 1 1 297.196 3.204 20 30 CGEDMO C=C(Br)C[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000037900864 369124037 /nfs/dbraw/zinc/12/40/37/369124037.db2.gz MIUIZAWCRHRQTG-SNVBAGLBSA-N 1 1 297.196 3.204 20 30 CGEDMO CC(C)C[N@@H+](CCOc1ccccc1C#N)C1CC1 ZINC000042278396 369209975 /nfs/dbraw/zinc/20/99/75/369209975.db2.gz VWAMCSULOCXIAT-UHFFFAOYSA-N 1 1 258.365 3.057 20 30 CGEDMO C=CC[NH+](CC=C)CC(=O)N[C@H](c1ccc(C)cc1)C1CC1 ZINC000051766992 369454971 /nfs/dbraw/zinc/45/49/71/369454971.db2.gz XSCXQLJPZALYPC-LJQANCHMSA-N 1 1 298.430 3.236 20 30 CGEDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000055386540 369516358 /nfs/dbraw/zinc/51/63/58/369516358.db2.gz UIGIHLFPKPHJDB-CZUORRHYSA-N 1 1 285.391 3.007 20 30 CGEDMO C[N@@H+](Cc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000057661503 369545637 /nfs/dbraw/zinc/54/56/37/369545637.db2.gz ZNIPSDYGHWRALB-UHFFFAOYSA-N 1 1 250.345 3.385 20 30 CGEDMO C[N@H+](CC#Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000061947965 369611893 /nfs/dbraw/zinc/61/18/93/369611893.db2.gz CTMWHMOMIDKRLQ-UHFFFAOYSA-N 1 1 260.340 3.042 20 30 CGEDMO C[N@@H+](CC#Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000061947965 369611898 /nfs/dbraw/zinc/61/18/98/369611898.db2.gz CTMWHMOMIDKRLQ-UHFFFAOYSA-N 1 1 260.340 3.042 20 30 CGEDMO CC[N@H+](CCO[C@@H]1CCCC[C@@H]1C)C[C@@H](C)C#N ZINC000064249279 369651750 /nfs/dbraw/zinc/65/17/50/369651750.db2.gz SLWQMNCGXSSMIM-SOUVJXGZSA-N 1 1 252.402 3.063 20 30 CGEDMO CC[N@@H+](CCO[C@@H]1CCCC[C@@H]1C)C[C@@H](C)C#N ZINC000064249279 369651753 /nfs/dbraw/zinc/65/17/53/369651753.db2.gz SLWQMNCGXSSMIM-SOUVJXGZSA-N 1 1 252.402 3.063 20 30 CGEDMO C=CCNC(=O)C[N@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000064637477 369657970 /nfs/dbraw/zinc/65/79/70/369657970.db2.gz QEVZCLBALQZOGY-GOSISDBHSA-N 1 1 294.398 3.279 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000276519169 193365270 /nfs/dbraw/zinc/36/52/70/193365270.db2.gz YMVQOXJYXYFYLE-CQSZACIVSA-N 1 1 260.381 3.138 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1Cl ZINC000276523596 193366733 /nfs/dbraw/zinc/36/67/33/193366733.db2.gz ZBYWCOBRZBHJHZ-NSHDSACASA-N 1 1 266.772 3.175 20 30 CGEDMO CC[N@@H+](Cc1cccc(F)c1)C[C@@H](C#N)CCC#N ZINC000072672541 369833745 /nfs/dbraw/zinc/83/37/45/369833745.db2.gz JMPXVKGXWMJUCW-CQSZACIVSA-N 1 1 259.328 3.091 20 30 CGEDMO CC[N@H+](Cc1cccc(F)c1)C[C@@H](C#N)CCC#N ZINC000072672541 369833752 /nfs/dbraw/zinc/83/37/52/369833752.db2.gz JMPXVKGXWMJUCW-CQSZACIVSA-N 1 1 259.328 3.091 20 30 CGEDMO CCCc1[nH+]ccn1CCCOc1cccc(C#N)c1 ZINC000070424513 369799896 /nfs/dbraw/zinc/79/98/96/369799896.db2.gz BZBAARLCHYJTQI-UHFFFAOYSA-N 1 1 269.348 3.176 20 30 CGEDMO C[N@H+](CC#Cc1ccc(Cl)cc1)CCOCC1CC1 ZINC000088599944 370036724 /nfs/dbraw/zinc/03/67/24/370036724.db2.gz HVXSYGCXSBSMMI-UHFFFAOYSA-N 1 1 277.795 3.050 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000091959261 370084134 /nfs/dbraw/zinc/08/41/34/370084134.db2.gz PNJSILMPJAXASV-CABCVRRESA-N 1 1 290.407 3.497 20 30 CGEDMO CCCOc1cccc(C[N@H+](CC)C[C@H](C)C#N)c1 ZINC000091983669 370086185 /nfs/dbraw/zinc/08/61/85/370086185.db2.gz MLAYSAOOVUWEDD-CQSZACIVSA-N 1 1 260.381 3.457 20 30 CGEDMO CCCOc1cccc(C[N@@H+](CC)C[C@H](C)C#N)c1 ZINC000091983669 370086189 /nfs/dbraw/zinc/08/61/89/370086189.db2.gz MLAYSAOOVUWEDD-CQSZACIVSA-N 1 1 260.381 3.457 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000092067024 370093620 /nfs/dbraw/zinc/09/36/20/370093620.db2.gz REZWONOPZNGQEG-WBVHZDCISA-N 1 1 289.467 3.265 20 30 CGEDMO CCCN1CCC([N@H+](C)CC(C)(C)CCC#N)CC1 ZINC000092166014 370095253 /nfs/dbraw/zinc/09/52/53/370095253.db2.gz HZJQPYPAICNPBI-UHFFFAOYSA-N 1 1 265.445 3.123 20 30 CGEDMO CCCN1CCC([N@@H+](C)CC(C)(C)CCC#N)CC1 ZINC000092166014 370095256 /nfs/dbraw/zinc/09/52/56/370095256.db2.gz HZJQPYPAICNPBI-UHFFFAOYSA-N 1 1 265.445 3.123 20 30 CGEDMO CC(C)C[C@H]1CCCCC[N@H+]1CCC(=O)N(C)CCC#N ZINC000092797644 370099863 /nfs/dbraw/zinc/09/98/63/370099863.db2.gz JLMKWAKNHJBGOY-MRXNPFEDSA-N 1 1 293.455 3.039 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)Cc1cccc(F)c1 ZINC000097056750 370221040 /nfs/dbraw/zinc/22/10/40/370221040.db2.gz VHBSXYFDZUHHJQ-CQSZACIVSA-N 1 1 292.398 3.071 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)Cc1cccc(F)c1 ZINC000097056750 370221045 /nfs/dbraw/zinc/22/10/45/370221045.db2.gz VHBSXYFDZUHHJQ-CQSZACIVSA-N 1 1 292.398 3.071 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CCCC[C@@H]2C)c1C ZINC000098072024 370262454 /nfs/dbraw/zinc/26/24/54/370262454.db2.gz CJBVVHONOMYKNQ-ZDUSSCGKSA-N 1 1 274.408 3.348 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCCC[C@@H]2C)c1C ZINC000098072024 370262458 /nfs/dbraw/zinc/26/24/58/370262458.db2.gz CJBVVHONOMYKNQ-ZDUSSCGKSA-N 1 1 274.408 3.348 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1ccc(F)cc1Cl ZINC000098068905 370262650 /nfs/dbraw/zinc/26/26/50/370262650.db2.gz OLKYSCASUOLXJO-UHFFFAOYSA-N 1 1 284.762 3.316 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1ccc(F)cc1Cl ZINC000098068905 370262655 /nfs/dbraw/zinc/26/26/55/370262655.db2.gz OLKYSCASUOLXJO-UHFFFAOYSA-N 1 1 284.762 3.316 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+](C)CCC1CCOCC1 ZINC000129652423 370996498 /nfs/dbraw/zinc/99/64/98/370996498.db2.gz KQLXRSRIZPWSKO-UHFFFAOYSA-N 1 1 289.419 3.500 20 30 CGEDMO CC(C)C[C@H]1CCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000130334763 371025882 /nfs/dbraw/zinc/02/58/82/371025882.db2.gz VZBNBDUCLXAPHC-MRXNPFEDSA-N 1 1 285.391 3.007 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000132109514 371152752 /nfs/dbraw/zinc/15/27/52/371152752.db2.gz CVWMXFJQVNCCKP-JKSUJKDBSA-N 1 1 291.460 3.428 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H]1c1cc(C)no1 ZINC000331831365 204214909 /nfs/dbraw/zinc/21/49/09/204214909.db2.gz NYLCZPRXHFYOCM-HNNXBMFYSA-N 1 1 297.358 3.200 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]1c1cc(C)no1 ZINC000331831365 204214914 /nfs/dbraw/zinc/21/49/14/204214914.db2.gz NYLCZPRXHFYOCM-HNNXBMFYSA-N 1 1 297.358 3.200 20 30 CGEDMO C[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2C(C)(C)C#N)CCN1C ZINC000135249074 371405706 /nfs/dbraw/zinc/40/57/06/371405706.db2.gz ZJPRFRFFZUMGRA-DOTOQJQBSA-N 1 1 299.462 3.402 20 30 CGEDMO C[C@H]1C[C@H](N(C)Cc2ccccc2C(C)(C)C#N)CC[N@@H+]1C ZINC000135249074 371405722 /nfs/dbraw/zinc/40/57/22/371405722.db2.gz ZJPRFRFFZUMGRA-DOTOQJQBSA-N 1 1 299.462 3.402 20 30 CGEDMO C[C@H]1C[C@H](N(C)Cc2ccccc2C(C)(C)C#N)CC[N@H+]1C ZINC000135249074 371405725 /nfs/dbraw/zinc/40/57/25/371405725.db2.gz ZJPRFRFFZUMGRA-DOTOQJQBSA-N 1 1 299.462 3.402 20 30 CGEDMO C=CCCCCC[N@@H+](C)Cc1nnc(C(C)C)o1 ZINC000150877029 371544182 /nfs/dbraw/zinc/54/41/82/371544182.db2.gz KDNBAVDSSQXHAG-UHFFFAOYSA-N 1 1 251.374 3.371 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1nnc(C(C)C)o1 ZINC000150877029 371544187 /nfs/dbraw/zinc/54/41/87/371544187.db2.gz KDNBAVDSSQXHAG-UHFFFAOYSA-N 1 1 251.374 3.371 20 30 CGEDMO Fc1ccc(C#CC[N@@H+]2CCCc3occc3C2)cc1 ZINC000288944485 371746990 /nfs/dbraw/zinc/74/69/90/371746990.db2.gz WZVINNXUEZLXDM-UHFFFAOYSA-N 1 1 269.319 3.219 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCCc3occc3C2)cc1 ZINC000288944485 371746992 /nfs/dbraw/zinc/74/69/92/371746992.db2.gz WZVINNXUEZLXDM-UHFFFAOYSA-N 1 1 269.319 3.219 20 30 CGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)C[C@H]1CC=CCC1 ZINC000344067579 217034593 /nfs/dbraw/zinc/03/45/93/217034593.db2.gz PVSLAQJUVYBMDH-GJZGRUSLSA-N 1 1 297.402 3.173 20 30 CGEDMO C[N@H+](Cc1ccc(F)cc1C#N)C[C@@H]1CC=CCC1 ZINC000344074752 217040620 /nfs/dbraw/zinc/04/06/20/217040620.db2.gz UQCAILSEVBZQNW-CYBMUJFWSA-N 1 1 258.340 3.485 20 30 CGEDMO Clc1cccc(C#CC[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000156260358 371969738 /nfs/dbraw/zinc/96/97/38/371969738.db2.gz HMHMXRHTUYXQPV-HNNXBMFYSA-N 1 1 299.805 3.294 20 30 CGEDMO COc1cc(C[N@H+](Cc2ccccn2)C2CC2)ccc1C#N ZINC000290407438 371983154 /nfs/dbraw/zinc/98/31/54/371983154.db2.gz JUFOPVREPCBZJK-UHFFFAOYSA-N 1 1 293.370 3.126 20 30 CGEDMO COc1cc(C[N@@H+](Cc2ccccn2)C2CC2)ccc1C#N ZINC000290407438 371983164 /nfs/dbraw/zinc/98/31/64/371983164.db2.gz JUFOPVREPCBZJK-UHFFFAOYSA-N 1 1 293.370 3.126 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCCCNc1cccnc1C#N ZINC000290585644 372023467 /nfs/dbraw/zinc/02/34/67/372023467.db2.gz WOQLTTCQTTZSHV-AWEZNQCLSA-N 1 1 272.396 3.020 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000158206631 372059945 /nfs/dbraw/zinc/05/99/45/372059945.db2.gz FJEKSMAURGRPND-MRXNPFEDSA-N 1 1 270.376 3.331 20 30 CGEDMO CC[C@@]1(C)CC[N@@H+](CCOc2ccc(C#N)cc2OC)C1 ZINC000344218248 217103634 /nfs/dbraw/zinc/10/36/34/217103634.db2.gz LPCIJYQGUDMXKQ-KRWDZBQOSA-N 1 1 288.391 3.068 20 30 CGEDMO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NCc2ccc(C#N)o2)C1 ZINC000344188945 217091418 /nfs/dbraw/zinc/09/14/18/217091418.db2.gz LYYVIPJNTTXPOW-ZBFHGGJFSA-N 1 1 295.386 3.076 20 30 CGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NCc2ccc(C#N)o2)C1 ZINC000344188945 217091421 /nfs/dbraw/zinc/09/14/21/217091421.db2.gz LYYVIPJNTTXPOW-ZBFHGGJFSA-N 1 1 295.386 3.076 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(OC)c(OC)cc1OC ZINC000426565336 372164532 /nfs/dbraw/zinc/16/45/32/372164532.db2.gz AKFHTIPOORPXNX-CQSZACIVSA-N 1 1 291.391 3.253 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000426559043 372165259 /nfs/dbraw/zinc/16/52/59/372165259.db2.gz ILHYWYWRVHNLTJ-AWEZNQCLSA-N 1 1 260.337 3.444 20 30 CGEDMO C[C@@H]1CCC[C@@H](C)N1CC[NH2+]Cc1ccc(C#N)cc1F ZINC000344228128 217108758 /nfs/dbraw/zinc/10/87/58/217108758.db2.gz WISJAJDJVAJFTI-ZIAGYGMSSA-N 1 1 289.398 3.050 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000159698679 372170400 /nfs/dbraw/zinc/17/04/00/372170400.db2.gz AHOGPOFKYMXOJD-MRXNPFEDSA-N 1 1 258.340 3.462 20 30 CGEDMO C=C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000428045971 372179070 /nfs/dbraw/zinc/17/90/70/372179070.db2.gz SKJSCJSJVMSDMD-JKSUJKDBSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2cc(C)ncn2)CCCC1(C)C ZINC000292775197 372208059 /nfs/dbraw/zinc/20/80/59/372208059.db2.gz JBLIJWWVJAPSGG-HNNXBMFYSA-N 1 1 259.397 3.352 20 30 CGEDMO COc1ccc(OC)c(C[N@@H+](CCCCC#N)C2CC2)c1 ZINC000160959792 372291230 /nfs/dbraw/zinc/29/12/30/372291230.db2.gz MCXGZRZCOIHQAI-UHFFFAOYSA-N 1 1 288.391 3.362 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292926767 372250997 /nfs/dbraw/zinc/25/09/97/372250997.db2.gz IQZFEWCVGDUSDO-MAUKXSAKSA-N 1 1 283.419 3.037 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000292926767 372250998 /nfs/dbraw/zinc/25/09/98/372250998.db2.gz IQZFEWCVGDUSDO-MAUKXSAKSA-N 1 1 283.419 3.037 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000292926767 372251000 /nfs/dbraw/zinc/25/10/00/372251000.db2.gz IQZFEWCVGDUSDO-MAUKXSAKSA-N 1 1 283.419 3.037 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cs1)Cc1ccc(F)cc1 ZINC000161150842 372305793 /nfs/dbraw/zinc/30/57/93/372305793.db2.gz ZGJNBAGXEBYEEM-UHFFFAOYSA-N 1 1 260.337 3.391 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1ccc(F)cc1 ZINC000161150842 372305795 /nfs/dbraw/zinc/30/57/95/372305795.db2.gz ZGJNBAGXEBYEEM-UHFFFAOYSA-N 1 1 260.337 3.391 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](CCC)CCO)cc1Cl ZINC000161196211 372309185 /nfs/dbraw/zinc/30/91/85/372309185.db2.gz XSGWDESGTJKDGS-UHFFFAOYSA-N 1 1 283.799 3.109 20 30 CGEDMO C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1CCC(C)(C)C#N ZINC000429239621 372327583 /nfs/dbraw/zinc/32/75/83/372327583.db2.gz VHLQMUCVRSHJOD-AWEZNQCLSA-N 1 1 289.398 3.276 20 30 CGEDMO Cc1cc(C[N@H+]2CCOC[C@H](C3CCC3)C2)ccc1C#N ZINC000429255125 372329885 /nfs/dbraw/zinc/32/98/85/372329885.db2.gz MAXMFIRNHAVGJP-GOSISDBHSA-N 1 1 284.403 3.115 20 30 CGEDMO CC(C)N(CC[C@H]1CCC[N@@H+]1C)Cc1ccc(C#N)cc1 ZINC000161563220 372336557 /nfs/dbraw/zinc/33/65/57/372336557.db2.gz SSFSLENDPKKGDG-GOSISDBHSA-N 1 1 285.435 3.253 20 30 CGEDMO CC(C)N(CC[C@H]1CCC[N@H+]1C)Cc1ccc(C#N)cc1 ZINC000161563220 372336564 /nfs/dbraw/zinc/33/65/64/372336564.db2.gz SSFSLENDPKKGDG-GOSISDBHSA-N 1 1 285.435 3.253 20 30 CGEDMO CC(C)[N@H+](CC[C@H]1CCCN1C)Cc1ccc(C#N)cc1 ZINC000161563220 372336570 /nfs/dbraw/zinc/33/65/70/372336570.db2.gz SSFSLENDPKKGDG-GOSISDBHSA-N 1 1 285.435 3.253 20 30 CGEDMO CC(C)[N@@H+](CC[C@H]1CCCN1C)Cc1ccc(C#N)cc1 ZINC000161563220 372336576 /nfs/dbraw/zinc/33/65/76/372336576.db2.gz SSFSLENDPKKGDG-GOSISDBHSA-N 1 1 285.435 3.253 20 30 CGEDMO C[N@H+](Cc1nc2ccc(F)cc2o1)Cc1ccc(C#N)cc1 ZINC000162760917 372419121 /nfs/dbraw/zinc/41/91/21/372419121.db2.gz SCIQPVWXBBBEEA-UHFFFAOYSA-N 1 1 295.317 3.471 20 30 CGEDMO C[N@@H+](Cc1nc2ccc(F)cc2o1)Cc1ccc(C#N)cc1 ZINC000162760917 372419127 /nfs/dbraw/zinc/41/91/27/372419127.db2.gz SCIQPVWXBBBEEA-UHFFFAOYSA-N 1 1 295.317 3.471 20 30 CGEDMO C[C@H]1CC[C@H]([N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000429580207 372375586 /nfs/dbraw/zinc/37/55/86/372375586.db2.gz TVTMAGWZNNIHPQ-RDJZCZTQSA-N 1 1 299.418 3.054 20 30 CGEDMO C[N@H+](Cc1nc2ccc(F)cc2o1)Cc1cccc(C#N)c1 ZINC000162759825 372417706 /nfs/dbraw/zinc/41/77/06/372417706.db2.gz SNEZVNGZMBYJLM-UHFFFAOYSA-N 1 1 295.317 3.471 20 30 CGEDMO C[N@@H+](Cc1nc2ccc(F)cc2o1)Cc1cccc(C#N)c1 ZINC000162759825 372417715 /nfs/dbraw/zinc/41/77/15/372417715.db2.gz SNEZVNGZMBYJLM-UHFFFAOYSA-N 1 1 295.317 3.471 20 30 CGEDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(F)c(C#N)c2)C[C@H]1C ZINC000344388622 217176846 /nfs/dbraw/zinc/17/68/46/217176846.db2.gz BHJFONNMZZWPPY-CJNGLKHVSA-N 1 1 289.398 3.002 20 30 CGEDMO C=CCC(C)(C)CNC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000432106074 372537403 /nfs/dbraw/zinc/53/74/03/372537403.db2.gz GWXGWPGONPJUMO-HUUCEWRRSA-N 1 1 295.471 3.008 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000293961663 372537801 /nfs/dbraw/zinc/53/78/01/372537801.db2.gz TVPPSARMYKPGTM-LBPRGKRZSA-N 1 1 257.337 3.184 20 30 CGEDMO N#CCCC[C@@H]([NH2+]Cc1ccon1)c1ccccc1 ZINC000433022714 372577599 /nfs/dbraw/zinc/57/75/99/372577599.db2.gz LPEXEDHBTMUGRY-OAHLLOKOSA-N 1 1 255.321 3.199 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)C1CCC(C(C)C)CC1 ZINC000433161890 372582263 /nfs/dbraw/zinc/58/22/63/372582263.db2.gz LCUBDOAFJKQYFG-GPANFISMSA-N 1 1 253.430 3.460 20 30 CGEDMO C=CCCCCC[NH2+][C@](C)(c1noc(C)n1)C1CC1 ZINC000433302163 372585854 /nfs/dbraw/zinc/58/58/54/372585854.db2.gz HMUWTAKDUSLUAI-HNNXBMFYSA-N 1 1 263.385 3.339 20 30 CGEDMO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000295201732 372700123 /nfs/dbraw/zinc/70/01/23/372700123.db2.gz YUMZXHISAHHRGI-DMDPSCGWSA-N 1 1 299.340 3.448 20 30 CGEDMO C=CCOCC[N@H+](C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000294668406 372666292 /nfs/dbraw/zinc/66/62/92/372666292.db2.gz RSMJLPHUKHMNEP-IAGOWNOFSA-N 1 1 293.382 3.180 20 30 CGEDMO C=CCOCC[N@H+](C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000294668411 372666446 /nfs/dbraw/zinc/66/64/46/372666446.db2.gz RSMJLPHUKHMNEP-SJORKVTESA-N 1 1 293.382 3.180 20 30 CGEDMO Cc1ccc(CCC[N@H+](C)Cc2ccc(C#N)cc2)cn1 ZINC000353379597 220052261 /nfs/dbraw/zinc/05/22/61/220052261.db2.gz ISWUOBJRJZUEKY-UHFFFAOYSA-N 1 1 279.387 3.326 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@@H](SC)C2)c1 ZINC000294941979 372680553 /nfs/dbraw/zinc/68/05/53/372680553.db2.gz CHJQESQRFSXIPB-OAHLLOKOSA-N 1 1 263.406 3.189 20 30 CGEDMO CC[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)C ZINC000171636661 372798278 /nfs/dbraw/zinc/79/82/78/372798278.db2.gz ZMMSEJUMSFUZQH-UHFFFAOYSA-N 1 1 293.798 3.271 20 30 CGEDMO CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C1CC1 ZINC000171682731 372807193 /nfs/dbraw/zinc/80/71/93/372807193.db2.gz DGPFBKUNUYIMFC-UHFFFAOYSA-N 1 1 291.782 3.025 20 30 CGEDMO C=CC[N@@H+](CC1CCCCC1)CC1(O)CCCC1 ZINC000437369065 372847376 /nfs/dbraw/zinc/84/73/76/372847376.db2.gz CTVPGTJIVIOGFK-UHFFFAOYSA-N 1 1 251.414 3.360 20 30 CGEDMO CC[C@@H](C)C[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000171948896 372864929 /nfs/dbraw/zinc/86/49/29/372864929.db2.gz OTLKQRFQZQESAK-LLVKDONJSA-N 1 1 293.798 3.128 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](c3ccccc3)C[C@@H]2C)C1=O ZINC000439318383 372976041 /nfs/dbraw/zinc/97/60/41/372976041.db2.gz QNNBMHAGLPLZDT-SZMVWBNQSA-N 1 1 298.430 3.041 20 30 CGEDMO C=CCCC[N@H+](CCCO)Cc1cccc(Cl)c1 ZINC000441075451 372995971 /nfs/dbraw/zinc/99/59/71/372995971.db2.gz BBDJZHPMDGMCHN-UHFFFAOYSA-N 1 1 267.800 3.491 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000296042398 373003691 /nfs/dbraw/zinc/00/36/91/373003691.db2.gz PXXJSELMWUWRPU-UHFFFAOYSA-N 1 1 288.435 3.310 20 30 CGEDMO C[C@H]([NH2+]C(C)(C)CN[C@@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000442784293 373079249 /nfs/dbraw/zinc/07/92/49/373079249.db2.gz RWWHJYRVPYIHDO-ZMSDIMECSA-N 1 1 285.435 3.398 20 30 CGEDMO COC[C@@]1(C)CC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000296527454 373165463 /nfs/dbraw/zinc/16/54/63/373165463.db2.gz APQDUDLTIKSAPT-HNNXBMFYSA-N 1 1 278.783 3.070 20 30 CGEDMO COC[C@@]1(C)CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000296527454 373165465 /nfs/dbraw/zinc/16/54/65/373165465.db2.gz APQDUDLTIKSAPT-HNNXBMFYSA-N 1 1 278.783 3.070 20 30 CGEDMO CCC[C@]1(CO)CCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000444778801 373272731 /nfs/dbraw/zinc/27/27/31/373272731.db2.gz WMELFVHEYYCFBD-MRXNPFEDSA-N 1 1 292.810 3.339 20 30 CGEDMO CCCN1CC[N@H+](CCCCC(C)(C)C#N)C(C)(C)C1=O ZINC000444688234 373237341 /nfs/dbraw/zinc/23/73/41/373237341.db2.gz YCEKGPCATRFKHC-UHFFFAOYSA-N 1 1 293.455 3.039 20 30 CGEDMO CCCN1CC[N@@H+](CCCCC(C)(C)C#N)C(C)(C)C1=O ZINC000444688234 373237346 /nfs/dbraw/zinc/23/73/46/373237346.db2.gz YCEKGPCATRFKHC-UHFFFAOYSA-N 1 1 293.455 3.039 20 30 CGEDMO COC(=O)[C@@H](C)[N@@H+](CCCCC(C)(C)C#N)C1CCC1 ZINC000444710692 373249310 /nfs/dbraw/zinc/24/93/10/373249310.db2.gz VZWYDFVIWZBKSE-CYBMUJFWSA-N 1 1 280.412 3.122 20 30 CGEDMO Cc1ccc(F)c(C[N@@H+](C)CCCSCC#N)c1 ZINC000444739463 373256018 /nfs/dbraw/zinc/25/60/18/373256018.db2.gz ALXSIPVEISZGNU-UHFFFAOYSA-N 1 1 266.385 3.213 20 30 CGEDMO C=C[C@@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000297158901 373258219 /nfs/dbraw/zinc/25/82/19/373258219.db2.gz VYLIZOWWCVWBCP-MIGBEJBISA-N 1 1 298.430 3.088 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2c[nH]c(C(=O)OC)c2)CCCC1(C)C ZINC000446830629 373366990 /nfs/dbraw/zinc/36/69/90/373366990.db2.gz VAJWBEYZQNHFIM-OAHLLOKOSA-N 1 1 290.407 3.368 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2csnn2)CCCC1(C)C ZINC000446856316 373371866 /nfs/dbraw/zinc/37/18/66/373371866.db2.gz NHGSIOXQZMHXDW-LBPRGKRZSA-N 1 1 251.399 3.105 20 30 CGEDMO C=CC[C@@H]1[N@H+](Cc2csnn2)CCCC1(C)C ZINC000446856316 373371870 /nfs/dbraw/zinc/37/18/70/373371870.db2.gz NHGSIOXQZMHXDW-LBPRGKRZSA-N 1 1 251.399 3.105 20 30 CGEDMO CC[C@H](NCCC[NH+]1CCCCC1)c1ccc(C#N)cc1 ZINC000447514299 373441872 /nfs/dbraw/zinc/44/18/72/373441872.db2.gz CWFGZEKSYBXUPJ-SFHVURJKSA-N 1 1 285.435 3.475 20 30 CGEDMO CC[C@H]([NH2+]CCCN1CCCCC1)c1ccc(C#N)cc1 ZINC000447514299 373441880 /nfs/dbraw/zinc/44/18/80/373441880.db2.gz CWFGZEKSYBXUPJ-SFHVURJKSA-N 1 1 285.435 3.475 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000175404265 373463663 /nfs/dbraw/zinc/46/36/63/373463663.db2.gz RRJFWVFZCDBFMF-UGSOOPFHSA-N 1 1 265.422 3.383 20 30 CGEDMO CC(=O)c1ccc(C#N)c(NC[C@@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC000447812762 373495807 /nfs/dbraw/zinc/49/58/07/373495807.db2.gz SOAKPPDBKQPOKQ-KRWDZBQOSA-N 1 1 299.418 3.293 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000177023243 373649303 /nfs/dbraw/zinc/64/93/03/373649303.db2.gz SMHOLBRFEKDSFJ-UHFFFAOYSA-N 1 1 253.267 3.151 20 30 CGEDMO CC(C)CN1CCC([NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000449073131 373659665 /nfs/dbraw/zinc/65/96/65/373659665.db2.gz MMEPVQKBUOAWSO-UHFFFAOYSA-N 1 1 277.456 3.169 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc2c(c1)OCCCCO2 ZINC000449226809 373673395 /nfs/dbraw/zinc/67/33/95/373673395.db2.gz NYIHHBHCHQXWTB-UHFFFAOYSA-N 1 1 261.365 3.246 20 30 CGEDMO C=CCOc1cccc(C[NH2+]Cc2cnc(C3CC3)o2)c1 ZINC000449696865 373844551 /nfs/dbraw/zinc/84/45/51/373844551.db2.gz JBMGTMTZSRLQBL-UHFFFAOYSA-N 1 1 284.359 3.407 20 30 CGEDMO COc1ccc(O)c(C[N@@H+](CCC#N)CC(C)(C)C)c1 ZINC000180059751 373960923 /nfs/dbraw/zinc/96/09/23/373960923.db2.gz SYKFUOYFURBJNK-UHFFFAOYSA-N 1 1 276.380 3.163 20 30 CGEDMO C=CCCC[C@@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000179785432 373917767 /nfs/dbraw/zinc/91/77/67/373917767.db2.gz DKPDSYIDUQXUJA-GDBMZVCRSA-N 1 1 274.408 3.150 20 30 CGEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1c(C#N)cccc1C#N ZINC000302865148 373988486 /nfs/dbraw/zinc/98/84/86/373988486.db2.gz XUTIAAIALGPMIZ-ZNMIVQPWSA-N 1 1 296.418 3.208 20 30 CGEDMO C=CCCC[C@@H](C)NC(=O)NCCCCn1cc[nH+]c1C ZINC000180823054 374048307 /nfs/dbraw/zinc/04/83/07/374048307.db2.gz DJOOYPZRPNZTBZ-CQSZACIVSA-N 1 1 292.427 3.016 20 30 CGEDMO C[C@@H](NC[C@H](C)[NH+]1CCC(C)CC1)c1cccc(C#N)c1 ZINC000181624466 374148206 /nfs/dbraw/zinc/14/82/06/374148206.db2.gz QTSOVQHVMCXCOX-JKSUJKDBSA-N 1 1 285.435 3.329 20 30 CGEDMO Cc1ccnc(N[C@H](C)C[N@@H+](C)Cc2ccccc2)c1C#N ZINC000309862582 374201895 /nfs/dbraw/zinc/20/18/95/374201895.db2.gz DQYPLEMUCOFETH-OAHLLOKOSA-N 1 1 294.402 3.194 20 30 CGEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000316018340 374333145 /nfs/dbraw/zinc/33/31/45/374333145.db2.gz ZVGASBMAOSRBPH-RDJZCZTQSA-N 1 1 297.402 3.151 20 30 CGEDMO N#Cc1cnc2ccccc2c1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000317140815 374338297 /nfs/dbraw/zinc/33/82/97/374338297.db2.gz BDCZTDDHPLTBTI-HUUCEWRRSA-N 1 1 292.386 3.145 20 30 CGEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000329295121 374402341 /nfs/dbraw/zinc/40/23/41/374402341.db2.gz SFUUIYHGBTYBIW-BFHYXJOUSA-N 1 1 295.427 3.301 20 30 CGEDMO CC[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000330502486 374473961 /nfs/dbraw/zinc/47/39/61/374473961.db2.gz WZPFFEHFLHAYMW-CYBMUJFWSA-N 1 1 291.782 3.025 20 30 CGEDMO CC[C@H]1CN(c2ccccc2)CC[N@@H+]1Cc1ccc(C#N)o1 ZINC000184418982 374521599 /nfs/dbraw/zinc/52/15/99/374521599.db2.gz LHQQEXUHLCHMKS-HNNXBMFYSA-N 1 1 295.386 3.252 20 30 CGEDMO CC[C@H]1CN(c2ccccc2)CC[N@H+]1Cc1ccc(C#N)o1 ZINC000184418982 374521603 /nfs/dbraw/zinc/52/16/03/374521603.db2.gz LHQQEXUHLCHMKS-HNNXBMFYSA-N 1 1 295.386 3.252 20 30 CGEDMO N#C[C@H]1CCC[C@@H](Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000185736201 374726979 /nfs/dbraw/zinc/72/69/79/374726979.db2.gz NRTQWUNAZHILDC-FUHWJXTLSA-N 1 1 299.418 3.013 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000186661367 374895326 /nfs/dbraw/zinc/89/53/26/374895326.db2.gz VFMFGICYFXMECN-LBPRGKRZSA-N 1 1 290.794 3.213 20 30 CGEDMO N#CC1CC[NH+](Cc2ccc(-c3ncco3)cc2F)CC1 ZINC000334562623 374862356 /nfs/dbraw/zinc/86/23/56/374862356.db2.gz NVZKXEQKEJRQLY-UHFFFAOYSA-N 1 1 285.322 3.216 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)Nc1cccc2ccccc21 ZINC000467297724 374974347 /nfs/dbraw/zinc/97/43/47/374974347.db2.gz QNZNMTMDVXPMMQ-UHFFFAOYSA-N 1 1 268.360 3.286 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000470771523 374998890 /nfs/dbraw/zinc/99/88/90/374998890.db2.gz GBKBXUZNKJNWJQ-SFHVURJKSA-N 1 1 269.388 3.251 20 30 CGEDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC#Cc1ccccc1 ZINC000470939112 375001690 /nfs/dbraw/zinc/00/16/90/375001690.db2.gz BWSBFHKWWYTYAN-TZMCWYRMSA-N 1 1 267.294 3.311 20 30 CGEDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CC#Cc1ccccc1 ZINC000470939112 375001691 /nfs/dbraw/zinc/00/16/91/375001691.db2.gz BWSBFHKWWYTYAN-TZMCWYRMSA-N 1 1 267.294 3.311 20 30 CGEDMO C=CCCC[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000471010737 375003100 /nfs/dbraw/zinc/00/31/00/375003100.db2.gz WJDWZGOUUDOZFK-HDICACEKSA-N 1 1 270.420 3.016 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000471010737 375003109 /nfs/dbraw/zinc/00/31/09/375003109.db2.gz WJDWZGOUUDOZFK-HDICACEKSA-N 1 1 270.420 3.016 20 30 CGEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)CC1(O)CCCCCC1 ZINC000187365528 375011457 /nfs/dbraw/zinc/01/14/57/375011457.db2.gz IBJBUWKDODYAHF-UHFFFAOYSA-N 1 1 290.382 3.214 20 30 CGEDMO C=C(C)[C@H]([NH2+]Cc1cn(C)nc1C)c1ccc(F)c(F)c1 ZINC000187371663 375012311 /nfs/dbraw/zinc/01/23/11/375012311.db2.gz BWRFYWDJDACUHC-INIZCTEOSA-N 1 1 291.345 3.414 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](CC1CC1)C1CCCCC1 ZINC000472654637 375030342 /nfs/dbraw/zinc/03/03/42/375030342.db2.gz GAPGHAIHWDRUDQ-MRXNPFEDSA-N 1 1 251.414 3.358 20 30 CGEDMO Cc1c([C@@H](C)[NH2+]Cc2ccc(Cl)cc2C#N)cnn1C ZINC000187496384 375031564 /nfs/dbraw/zinc/03/15/64/375031564.db2.gz ZJGGKAUDMJYJCZ-SNVBAGLBSA-N 1 1 288.782 3.104 20 30 CGEDMO C=CCCCCC[N@@H+](C)[C@H]1CCN(CC)C[C@H]1C ZINC000187694700 375074962 /nfs/dbraw/zinc/07/49/62/375074962.db2.gz MVOXXNAXLVFEKQ-CVEARBPZSA-N 1 1 252.446 3.395 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCN(CC)C[C@H]1C ZINC000187694700 375074966 /nfs/dbraw/zinc/07/49/66/375074966.db2.gz MVOXXNAXLVFEKQ-CVEARBPZSA-N 1 1 252.446 3.395 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCC[N@@H+]1CCCC ZINC000473175567 375045954 /nfs/dbraw/zinc/04/59/54/375045954.db2.gz PKIAMBPUEUSXMZ-DOTOQJQBSA-N 1 1 280.456 3.360 20 30 CGEDMO CC[C@@]1(CO)CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000187616913 375058112 /nfs/dbraw/zinc/05/81/12/375058112.db2.gz FJPXNKCUUBZPPJ-MRXNPFEDSA-N 1 1 292.810 3.196 20 30 CGEDMO CC[C@@]1(CO)CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000187616913 375058117 /nfs/dbraw/zinc/05/81/17/375058117.db2.gz FJPXNKCUUBZPPJ-MRXNPFEDSA-N 1 1 292.810 3.196 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCc2c(cccc2C(C)C)C1 ZINC000475386439 375134060 /nfs/dbraw/zinc/13/40/60/375134060.db2.gz HZILSTYWRFUGKG-MRXNPFEDSA-N 1 1 273.420 3.495 20 30 CGEDMO Cc1ccc(OCC[N@H+](C)CC#Cc2ccccc2)cc1 ZINC000483521316 375182463 /nfs/dbraw/zinc/18/24/63/375182463.db2.gz WEZDAXHXBCUPCF-UHFFFAOYSA-N 1 1 279.383 3.357 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(CC)cc1 ZINC000481213148 375163501 /nfs/dbraw/zinc/16/35/01/375163501.db2.gz QURDNMJZRDELJP-GJZGRUSLSA-N 1 1 288.435 3.323 20 30 CGEDMO C[C@@H]1CCCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000187919336 375117403 /nfs/dbraw/zinc/11/74/03/375117403.db2.gz KWCAIJQEEJZTAQ-CYBMUJFWSA-N 1 1 296.374 3.230 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1[C@@H](C)CCC ZINC000486792651 375198098 /nfs/dbraw/zinc/19/80/98/375198098.db2.gz VIYNUUSZCDFBLF-HOTGVXAUSA-N 1 1 278.440 3.088 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)s1 ZINC000335420694 375278562 /nfs/dbraw/zinc/27/85/62/375278562.db2.gz DBKCOVSOMJPEKC-WFASDCNBSA-N 1 1 276.405 3.011 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)[C@H](C)Cc2ccsc2)n1 ZINC000491325595 375325431 /nfs/dbraw/zinc/32/54/31/375325431.db2.gz DYDNZEREBFVNGI-CQSZACIVSA-N 1 1 287.432 3.031 20 30 CGEDMO COCC[N@@H+](Cc1ccc(F)cc1C#N)[C@@H]1CCC[C@@H]1C ZINC000487999180 375294474 /nfs/dbraw/zinc/29/44/74/375294474.db2.gz LEMRZAZPVHFCRH-SUMWQHHRSA-N 1 1 290.382 3.334 20 30 CGEDMO C#C[C@@H](CC)[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1 ZINC000491372952 375328260 /nfs/dbraw/zinc/32/82/60/375328260.db2.gz LGJIOCOXRDKNDI-WMZOPIPTSA-N 1 1 284.447 3.083 20 30 CGEDMO C#C[C@@H](CC)NC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000491372952 375328265 /nfs/dbraw/zinc/32/82/65/375328265.db2.gz LGJIOCOXRDKNDI-WMZOPIPTSA-N 1 1 284.447 3.083 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000335832499 375467827 /nfs/dbraw/zinc/46/78/27/375467827.db2.gz CIQOODRRHFKSQL-ZIAGYGMSSA-N 1 1 290.794 3.070 20 30 CGEDMO CC[N@@H+](C[C@H](C)COC)[C@@H](C)c1ccc(C#N)cc1 ZINC000189693632 375435252 /nfs/dbraw/zinc/43/52/52/375435252.db2.gz LGGKHUBAPYBCEF-KBPBESRZSA-N 1 1 260.381 3.224 20 30 CGEDMO C=CC[N@@H+](C)CC(=O)N[C@H](C)c1ccc(CC(C)C)cc1 ZINC000494690877 375491477 /nfs/dbraw/zinc/49/14/77/375491477.db2.gz PYFWQNJQSFHEKD-OAHLLOKOSA-N 1 1 288.435 3.180 20 30 CGEDMO C=CC[N@H+](C)CC(=O)N[C@H](C)c1ccc(CC(C)C)cc1 ZINC000494690877 375491489 /nfs/dbraw/zinc/49/14/89/375491489.db2.gz PYFWQNJQSFHEKD-OAHLLOKOSA-N 1 1 288.435 3.180 20 30 CGEDMO C[C@@H]1[C@@H](C)[N@@H+](CCCCC#N)CCN1C(=O)OC(C)(C)C ZINC000494713616 375492259 /nfs/dbraw/zinc/49/22/59/375492259.db2.gz WUTIAQYIHAKZST-ZIAGYGMSSA-N 1 1 295.427 3.010 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)CCCNC(=O)OC(C)(C)C ZINC000496594301 375545157 /nfs/dbraw/zinc/54/51/57/375545157.db2.gz YKZOWBBILDPEFM-UHFFFAOYSA-N 1 1 297.443 3.163 20 30 CGEDMO CC[N@H+]1C[C@@H](C)N(CC#Cc2ccccc2Cl)C[C@@H]1C ZINC000498907129 375628240 /nfs/dbraw/zinc/62/82/40/375628240.db2.gz ZRGOFOKRSZCOOV-LSDHHAIUSA-N 1 1 290.838 3.106 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)NCCCCC ZINC000502468760 375646052 /nfs/dbraw/zinc/64/60/52/375646052.db2.gz PPHXXOIVFYNGHG-INIZCTEOSA-N 1 1 288.435 3.370 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)NCCCCC ZINC000502468760 375646056 /nfs/dbraw/zinc/64/60/56/375646056.db2.gz PPHXXOIVFYNGHG-INIZCTEOSA-N 1 1 288.435 3.370 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CC[C@@](F)(c2cc(C)cc(F)c2)C1 ZINC000502891857 375648436 /nfs/dbraw/zinc/64/84/36/375648436.db2.gz AICZKQKNGVOWMT-SJORKVTESA-N 1 1 295.373 3.332 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CC[C@@](F)(c2cc(C)cc(F)c2)C1 ZINC000502891857 375648443 /nfs/dbraw/zinc/64/84/43/375648443.db2.gz AICZKQKNGVOWMT-SJORKVTESA-N 1 1 295.373 3.332 20 30 CGEDMO CC#CC[N@H+](CCC)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502921254 375648561 /nfs/dbraw/zinc/64/85/61/375648561.db2.gz VQZNJOLCBBOOTF-OAHLLOKOSA-N 1 1 272.392 3.139 20 30 CGEDMO Cc1ccc(C[N@@H+](C)Cc2ccc(C#N)c(F)c2)o1 ZINC000191906764 375674695 /nfs/dbraw/zinc/67/46/95/375674695.db2.gz OHOLHDQPGRCXRB-UHFFFAOYSA-N 1 1 258.296 3.231 20 30 CGEDMO Cc1ccc(C[N@H+](C)Cc2ccc(C#N)c(F)c2)o1 ZINC000191906764 375674704 /nfs/dbraw/zinc/67/47/04/375674704.db2.gz OHOLHDQPGRCXRB-UHFFFAOYSA-N 1 1 258.296 3.231 20 30 CGEDMO Cc1cc(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)ccc1C#N ZINC000336096249 375684011 /nfs/dbraw/zinc/68/40/11/375684011.db2.gz XPIOKURHLMRJRY-KBXCAEBGSA-N 1 1 294.402 3.146 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)cc1F ZINC000192098295 375698976 /nfs/dbraw/zinc/69/89/76/375698976.db2.gz GVQQWGKAQOWBHV-QGZVFWFLSA-N 1 1 295.361 3.384 20 30 CGEDMO CC[N@H+](Cc1ccccc1-c1ccnn1C)C[C@@H](C)C#N ZINC000507582226 375714555 /nfs/dbraw/zinc/71/45/55/375714555.db2.gz LVJLUZAKSCBGLE-AWEZNQCLSA-N 1 1 282.391 3.069 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)CCC ZINC000512180004 375794109 /nfs/dbraw/zinc/79/41/09/375794109.db2.gz NHZPFPVCKMVGBA-CYBMUJFWSA-N 1 1 251.370 3.339 20 30 CGEDMO C[C@H](O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000192992985 375812338 /nfs/dbraw/zinc/81/23/38/375812338.db2.gz FYKDYOQRKVUKNC-AWEZNQCLSA-N 1 1 298.361 3.080 20 30 CGEDMO C[C@@H](O)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000192993000 375812405 /nfs/dbraw/zinc/81/24/05/375812405.db2.gz FYKDYOQRKVUKNC-CQSZACIVSA-N 1 1 298.361 3.080 20 30 CGEDMO C[C@H]1C[N@H+](Cc2cccc(C#N)c2F)CCC1(F)F ZINC000336583772 375851238 /nfs/dbraw/zinc/85/12/38/375851238.db2.gz VWLSAACSMVNYEV-JTQLQIEISA-N 1 1 268.282 3.174 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cccc(C#N)c2F)CCC1(F)F ZINC000336583772 375851242 /nfs/dbraw/zinc/85/12/42/375851242.db2.gz VWLSAACSMVNYEV-JTQLQIEISA-N 1 1 268.282 3.174 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCCC2(CCCC2)C1 ZINC000527327846 375892193 /nfs/dbraw/zinc/89/21/93/375892193.db2.gz VVCCDZQJHABTDF-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO COc1cccc([C@H]2C[N@H+](CCC#N)CC2(C)C)c1 ZINC000528617605 375907637 /nfs/dbraw/zinc/90/76/37/375907637.db2.gz DRTQGHURFOPWFN-OAHLLOKOSA-N 1 1 258.365 3.034 20 30 CGEDMO COc1cccc([C@H]2C[N@@H+](CCC#N)CC2(C)C)c1 ZINC000528617605 375907642 /nfs/dbraw/zinc/90/76/42/375907642.db2.gz DRTQGHURFOPWFN-OAHLLOKOSA-N 1 1 258.365 3.034 20 30 CGEDMO C=CCCC[N@@H+](CC(=O)OC(C)(C)C)[C@@H](C)CC ZINC000533954682 375957467 /nfs/dbraw/zinc/95/74/67/375957467.db2.gz SOAJNVZCVZGQOD-ZDUSSCGKSA-N 1 1 255.402 3.395 20 30 CGEDMO C=C(C)C[N@@H+]1CCc2cccc(Br)c2C1 ZINC000532312992 375949597 /nfs/dbraw/zinc/94/95/97/375949597.db2.gz XAVSGEBSNWVMIU-UHFFFAOYSA-N 1 1 266.182 3.383 20 30 CGEDMO C=C(C)C[N@H+]1CCc2cccc(Br)c2C1 ZINC000532312992 375949604 /nfs/dbraw/zinc/94/96/04/375949604.db2.gz XAVSGEBSNWVMIU-UHFFFAOYSA-N 1 1 266.182 3.383 20 30 CGEDMO C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)O1 ZINC000336845044 376007778 /nfs/dbraw/zinc/00/77/78/376007778.db2.gz NMVVRLWWHPTEFL-DDBAPUKQSA-N 1 1 284.403 3.326 20 30 CGEDMO C[C@@H]1CC[C@H](C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)O1 ZINC000336845044 376007784 /nfs/dbraw/zinc/00/77/84/376007784.db2.gz NMVVRLWWHPTEFL-DDBAPUKQSA-N 1 1 284.403 3.326 20 30 CGEDMO C[C@H](O)C[N@@H+](Cc1ccc(C#N)s1)Cc1ccccc1 ZINC000535080990 376023540 /nfs/dbraw/zinc/02/35/40/376023540.db2.gz IJUCRYQCLVXRJU-ZDUSSCGKSA-N 1 1 286.400 3.003 20 30 CGEDMO CC(C)[C@H]1CCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000337128141 376087249 /nfs/dbraw/zinc/08/72/49/376087249.db2.gz HMOZOHNJOJVGJX-OAHLLOKOSA-N 1 1 264.413 3.207 20 30 CGEDMO CC[C@@H]1CCCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000337136421 376092746 /nfs/dbraw/zinc/09/27/46/376092746.db2.gz ONTAHMBNQYDBAB-OAHLLOKOSA-N 1 1 264.413 3.351 20 30 CGEDMO C=CCN1CC[C@@H]([N@H+](CC)[C@@H](CC)c2ccccc2)C1=O ZINC000337137568 376094334 /nfs/dbraw/zinc/09/43/34/376094334.db2.gz OFZASQHMXCHUSY-DLBZAZTESA-N 1 1 286.419 3.247 20 30 CGEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2c2ccc(C)cc2)C1=O ZINC000337185076 376121717 /nfs/dbraw/zinc/12/17/17/376121717.db2.gz OBFMPIHLZPWAIK-QZTJIDSGSA-N 1 1 298.430 3.309 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2cnc(OC)nc2C)CCCC1(C)C ZINC000337267181 376178788 /nfs/dbraw/zinc/17/87/88/376178788.db2.gz ZWIBQAJTYBTGGS-OAHLLOKOSA-N 1 1 289.423 3.360 20 30 CGEDMO CC[C@@H](C)[N@@H+](C)CCNc1cc(Cl)ccc1C#N ZINC000218070373 376183095 /nfs/dbraw/zinc/18/30/95/376183095.db2.gz UXVVTBSXXLMLIQ-LLVKDONJSA-N 1 1 265.788 3.354 20 30 CGEDMO C[C@H]1CC[C@H](C)[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337189436 376126343 /nfs/dbraw/zinc/12/63/43/376126343.db2.gz RGLOXSHDYQDHAX-GJZGRUSLSA-N 1 1 264.413 3.207 20 30 CGEDMO CCc1cc(OC)ccc1C[N@H+](CCC#N)CC1CC1 ZINC000337567454 376228975 /nfs/dbraw/zinc/22/89/75/376228975.db2.gz ZAVPEUAQYNYOIJ-UHFFFAOYSA-N 1 1 272.392 3.383 20 30 CGEDMO CCc1cc(OC)ccc1C[N@@H+](CCC#N)CC1CC1 ZINC000337567454 376228979 /nfs/dbraw/zinc/22/89/79/376228979.db2.gz ZAVPEUAQYNYOIJ-UHFFFAOYSA-N 1 1 272.392 3.383 20 30 CGEDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC000538957573 376280282 /nfs/dbraw/zinc/28/02/82/376280282.db2.gz JRMXXXYHUXTGKE-JSGCOSHPSA-N 1 1 286.375 3.108 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@H](OCC(C)C)C2)c1 ZINC000539926775 376347652 /nfs/dbraw/zinc/34/76/52/376347652.db2.gz DMKAITYWJGRTJN-SFHVURJKSA-N 1 1 289.419 3.498 20 30 CGEDMO N#Cc1ccccc1OCC[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000228012812 376423349 /nfs/dbraw/zinc/42/33/49/376423349.db2.gz SLRQVGUSNQSADC-GDBMZVCRSA-N 1 1 270.376 3.202 20 30 CGEDMO C=C(CC)C[NH+]1CCN(C(=O)CC2CCCCC2)CC1 ZINC000540203115 376366046 /nfs/dbraw/zinc/36/60/46/376366046.db2.gz SMWMXUZUEKZTNT-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCCC[C@@H](C)NC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000540568819 376381474 /nfs/dbraw/zinc/38/14/74/376381474.db2.gz MNJLDFVTNDDBKX-HZPDHXFCSA-N 1 1 295.471 3.295 20 30 CGEDMO C[C@@H](C1CCCCC1)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000338955483 376600697 /nfs/dbraw/zinc/60/06/97/376600697.db2.gz OOQJTPCQAGUYJX-ZDUSSCGKSA-N 1 1 259.397 3.297 20 30 CGEDMO C=CCOCC[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000338943278 376589589 /nfs/dbraw/zinc/58/95/89/376589589.db2.gz KHQAGHAOQMPCCW-QGZVFWFLSA-N 1 1 293.382 3.009 20 30 CGEDMO COc1cc(C[N@H+](C)Cc2ccc(C)o2)ccc1C#N ZINC000234927870 376624615 /nfs/dbraw/zinc/62/46/15/376624615.db2.gz GQXPUVYXEIKLTQ-UHFFFAOYSA-N 1 1 270.332 3.100 20 30 CGEDMO COc1cc(C[N@@H+](C)Cc2ccc(C)o2)ccc1C#N ZINC000234927870 376624625 /nfs/dbraw/zinc/62/46/25/376624625.db2.gz GQXPUVYXEIKLTQ-UHFFFAOYSA-N 1 1 270.332 3.100 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@@H]2C(C)C)ccc1C#N ZINC000234975819 376626448 /nfs/dbraw/zinc/62/64/48/376626448.db2.gz MIVYJONBABTLLN-OAHLLOKOSA-N 1 1 258.365 3.187 20 30 CGEDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000235556484 376646448 /nfs/dbraw/zinc/64/64/48/376646448.db2.gz VKGORSIICJUYHQ-GUYCJALGSA-N 1 1 290.382 3.213 20 30 CGEDMO CC(C)CCN(CCC#N)C(=O)CC[N@H+]1CCCC[C@@H]1C ZINC000339274012 376743900 /nfs/dbraw/zinc/74/39/00/376743900.db2.gz JMQATYCXXMMTRO-INIZCTEOSA-N 1 1 293.455 3.039 20 30 CGEDMO CCc1nocc1C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000339600849 376768398 /nfs/dbraw/zinc/76/83/98/376768398.db2.gz DKSVIFMMZSHITR-GFCCVEGCSA-N 1 1 269.348 3.302 20 30 CGEDMO CCc1nocc1C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000339600849 376768407 /nfs/dbraw/zinc/76/84/07/376768407.db2.gz DKSVIFMMZSHITR-GFCCVEGCSA-N 1 1 269.348 3.302 20 30 CGEDMO CC#CC[N@H+](C)Cc1cncc(OCc2ccccc2)c1 ZINC000339756097 376836053 /nfs/dbraw/zinc/83/60/53/376836053.db2.gz LEDGTVBWXLULDQ-UHFFFAOYSA-N 1 1 280.371 3.116 20 30 CGEDMO CC#CC[N@@H+](C)Cc1cncc(OCc2ccccc2)c1 ZINC000339756097 376836055 /nfs/dbraw/zinc/83/60/55/376836055.db2.gz LEDGTVBWXLULDQ-UHFFFAOYSA-N 1 1 280.371 3.116 20 30 CGEDMO C[N@@H+](CCOCCC#N)Cc1ccc(C(C)(C)C)cc1 ZINC000555299747 376856173 /nfs/dbraw/zinc/85/61/73/376856173.db2.gz RRRKBHPRCDKXHL-UHFFFAOYSA-N 1 1 274.408 3.346 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CCCO1 ZINC000339827802 376863306 /nfs/dbraw/zinc/86/33/06/376863306.db2.gz OMKVCKVCJUXNJW-MRXNPFEDSA-N 1 1 292.810 3.459 20 30 CGEDMO C=C[C@@H](CC(=O)NCC[N@H+](C)[C@H](C)CC)c1ccccc1 ZINC000245612736 376866955 /nfs/dbraw/zinc/86/69/55/376866955.db2.gz CASUOCCDUNQTCP-CVEARBPZSA-N 1 1 288.435 3.193 20 30 CGEDMO CC[N@@H+]1CCCC[C@H]1CN[C@H](C)c1ccc(C#N)cc1 ZINC000245932249 376938723 /nfs/dbraw/zinc/93/87/23/376938723.db2.gz SNPXBEFHAJCBHR-PBHICJAKSA-N 1 1 271.408 3.083 20 30 CGEDMO CC[N@H+]1CCCC[C@H]1CN[C@H](C)c1ccc(C#N)cc1 ZINC000245932249 376938728 /nfs/dbraw/zinc/93/87/28/376938728.db2.gz SNPXBEFHAJCBHR-PBHICJAKSA-N 1 1 271.408 3.083 20 30 CGEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)C(C)(C)C ZINC000558166525 376979154 /nfs/dbraw/zinc/97/91/54/376979154.db2.gz MCECSUPSIPQNPB-KRWDZBQOSA-N 1 1 288.435 3.423 20 30 CGEDMO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NCc1cc(C#N)cs1 ZINC000246257372 376999213 /nfs/dbraw/zinc/99/92/13/376999213.db2.gz UIFFYFNKVMXTCO-MCIONIFRSA-N 1 1 291.464 3.076 20 30 CGEDMO N#Cc1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246901619 377114814 /nfs/dbraw/zinc/11/48/14/377114814.db2.gz RMNNTDWIGOOMHV-HKUYNNGSSA-N 1 1 295.430 3.007 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1 ZINC000246901619 377114855 /nfs/dbraw/zinc/11/48/55/377114855.db2.gz RMNNTDWIGOOMHV-HKUYNNGSSA-N 1 1 295.430 3.007 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1 ZINC000246901619 377114862 /nfs/dbraw/zinc/11/48/62/377114862.db2.gz RMNNTDWIGOOMHV-HKUYNNGSSA-N 1 1 295.430 3.007 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000247543098 377220183 /nfs/dbraw/zinc/22/01/83/377220183.db2.gz KCHAZNHIEMPXKF-BLLLJJGKSA-N 1 1 258.340 3.462 20 30 CGEDMO CC[N@@H+](CCOc1ccc(C#N)cc1)[C@@H](C)C(C)C ZINC000561389397 377224466 /nfs/dbraw/zinc/22/44/66/377224466.db2.gz UXDUDJWFAAFYMQ-AWEZNQCLSA-N 1 1 260.381 3.303 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000248617259 377367210 /nfs/dbraw/zinc/36/72/10/377367210.db2.gz JHCIAOJDVJYZPV-IXDOHACOSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248970370 377436917 /nfs/dbraw/zinc/43/69/17/377436917.db2.gz SQIVMEXVXBVHTA-YXJHDRRASA-N 1 1 290.451 3.064 20 30 CGEDMO Cn1c[nH+]cc1CCCSc1ccc(C#N)cc1 ZINC000563438912 377465238 /nfs/dbraw/zinc/46/52/38/377465238.db2.gz IRWUNGHYXGRVEB-UHFFFAOYSA-N 1 1 257.362 3.017 20 30 CGEDMO N#CC1(C[NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)CCC1 ZINC000564043528 377473885 /nfs/dbraw/zinc/47/38/85/377473885.db2.gz OXEUERIEHFEVJQ-CYBMUJFWSA-N 1 1 298.308 3.022 20 30 CGEDMO Cc1ccnc([C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)c1 ZINC000564586739 377477748 /nfs/dbraw/zinc/47/77/48/377477748.db2.gz WMQQULSWPXMCLL-GOSISDBHSA-N 1 1 276.383 3.231 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CC[C@H](c3cccnc3)C2)cc1 ZINC000564920760 377481861 /nfs/dbraw/zinc/48/18/61/377481861.db2.gz YTIOQQCIKUVGNP-SFHVURJKSA-N 1 1 277.371 3.137 20 30 CGEDMO C=CCCCC[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000568832263 377523364 /nfs/dbraw/zinc/52/33/64/377523364.db2.gz JZVLSBPDTDYUGJ-UHFFFAOYSA-N 1 1 286.419 3.191 20 30 CGEDMO CC[C@H](CSC)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000091097306 249030498 /nfs/dbraw/zinc/03/04/98/249030498.db2.gz LGMCMVKJMDFMRR-CYBMUJFWSA-N 1 1 266.385 3.271 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@H]1CCCC[C@@H]1O ZINC000569931764 377530564 /nfs/dbraw/zinc/53/05/64/377530564.db2.gz KMYNUSLMVBHFIX-YRXWBPOGSA-N 1 1 298.430 3.309 20 30 CGEDMO CCOC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000313390196 249091468 /nfs/dbraw/zinc/09/14/68/249091468.db2.gz MOTARGWSUGBBQA-INIZCTEOSA-N 1 1 276.355 3.088 20 30 CGEDMO CCOC[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000313390196 249091471 /nfs/dbraw/zinc/09/14/71/249091471.db2.gz MOTARGWSUGBBQA-INIZCTEOSA-N 1 1 276.355 3.088 20 30 CGEDMO CC(C)(CCC#N)C[NH2+]CCc1ccc2cn[nH]c2c1 ZINC000341395841 377547524 /nfs/dbraw/zinc/54/75/24/377547524.db2.gz ZVKZZZDQGSFPPI-UHFFFAOYSA-N 1 1 270.380 3.025 20 30 CGEDMO CCN1C[C@H](C)[NH+](Cc2ccccc2C(C)(C)C#N)[C@@H](C)C1 ZINC000572205167 377547597 /nfs/dbraw/zinc/54/75/97/377547597.db2.gz ZPJONJYHTRBECY-HOTGVXAUSA-N 1 1 299.462 3.402 20 30 CGEDMO C=C(C)[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(F)c(F)c1 ZINC000573221014 377554787 /nfs/dbraw/zinc/55/47/87/377554787.db2.gz WZYNADZRLJYBDX-IOASZLSFSA-N 1 1 280.362 3.442 20 30 CGEDMO Cc1cc(C[NH2+]C(C)(C)c2nccs2)ccc1C#N ZINC000488226756 249172628 /nfs/dbraw/zinc/17/26/28/249172628.db2.gz WMWBMJFDOIECQN-UHFFFAOYSA-N 1 1 271.389 3.348 20 30 CGEDMO C[C@@H]1COc2ccccc2C[N@@H+]1Cc1cc(C#N)cs1 ZINC000341490751 377590520 /nfs/dbraw/zinc/59/05/20/377590520.db2.gz UVJHSPXKWUUEAR-GFCCVEGCSA-N 1 1 284.384 3.403 20 30 CGEDMO C[C@@H]1COc2ccccc2C[N@H+]1Cc1cc(C#N)cs1 ZINC000341490751 377590527 /nfs/dbraw/zinc/59/05/27/377590527.db2.gz UVJHSPXKWUUEAR-GFCCVEGCSA-N 1 1 284.384 3.403 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)N[C@H](C)c1ccccc1Cl ZINC000342715356 377752039 /nfs/dbraw/zinc/75/20/39/377752039.db2.gz ARGHEWCOHBJBSJ-GFCCVEGCSA-N 1 1 280.799 3.025 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000342743107 377768908 /nfs/dbraw/zinc/76/89/08/377768908.db2.gz YTTFONRJVADJQA-KRWDZBQOSA-N 1 1 286.419 3.248 20 30 CGEDMO C=CCC[N@H+](C)Cc1nc2cc(Br)ccc2[nH]1 ZINC000342742498 377768967 /nfs/dbraw/zinc/76/89/67/377768967.db2.gz WNSGECNNNVNYPA-UHFFFAOYSA-N 1 1 294.196 3.333 20 30 CGEDMO C=CCC[N@@H+](C)Cc1nc2ccc(Br)cc2[nH]1 ZINC000342742498 377768980 /nfs/dbraw/zinc/76/89/80/377768980.db2.gz WNSGECNNNVNYPA-UHFFFAOYSA-N 1 1 294.196 3.333 20 30 CGEDMO C=CCC[N@H+](C)Cc1nc2ccc(Br)cc2[nH]1 ZINC000342742498 377768988 /nfs/dbraw/zinc/76/89/88/377768988.db2.gz WNSGECNNNVNYPA-UHFFFAOYSA-N 1 1 294.196 3.333 20 30 CGEDMO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccco1 ZINC000342814980 377813436 /nfs/dbraw/zinc/81/34/36/377813436.db2.gz NZWAJKNRAANUMT-GFCCVEGCSA-N 1 1 252.317 3.491 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H]2C2CCC2)c1 ZINC000343014284 377882827 /nfs/dbraw/zinc/88/28/27/377882827.db2.gz HIFOYCDRAPZVQX-MRXNPFEDSA-N 1 1 258.340 3.462 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc(OC)cc2c1O[C@@H](C)C2 ZINC000343460687 377987408 /nfs/dbraw/zinc/98/74/08/377987408.db2.gz FROIPRBASVHSOE-LBPRGKRZSA-N 1 1 261.365 3.027 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CC[C@H](C)[C@H](OC)C1 ZINC000343468172 377988321 /nfs/dbraw/zinc/98/83/21/377988321.db2.gz LKJBMUINQVLYIG-WMLDXEAASA-N 1 1 275.392 3.108 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000268585968 378077685 /nfs/dbraw/zinc/07/76/85/378077685.db2.gz UQYRBKFAOSFCNF-HUUCEWRRSA-N 1 1 265.784 3.414 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000343751381 378082453 /nfs/dbraw/zinc/08/24/53/378082453.db2.gz QRWATUWLVISQSP-NSHDSACASA-N 1 1 287.329 3.194 20 30 CGEDMO C[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1cscn1 ZINC000579025487 378123505 /nfs/dbraw/zinc/12/35/05/378123505.db2.gz FAPMHNIYWLCCAZ-QMTHXVAHSA-N 1 1 269.373 3.353 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC)CC1 ZINC000343911923 378132886 /nfs/dbraw/zinc/13/28/86/378132886.db2.gz FGALOPCJKOGQBP-HZPDHXFCSA-N 1 1 278.440 3.088 20 30 CGEDMO N#CCCCC[N@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000343783931 378090360 /nfs/dbraw/zinc/09/03/60/378090360.db2.gz HBVBGDQNVZSUJD-UHFFFAOYSA-N 1 1 268.364 3.106 20 30 CGEDMO N#CCCCC[N@@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000343783931 378090365 /nfs/dbraw/zinc/09/03/65/378090365.db2.gz HBVBGDQNVZSUJD-UHFFFAOYSA-N 1 1 268.364 3.106 20 30 CGEDMO CC[N@H+]1C[C@@H](C)N(c2cc(C#N)c3ccccc3n2)C[C@@H]1C ZINC000345155531 378206754 /nfs/dbraw/zinc/20/67/54/378206754.db2.gz XIKXQCXHYYTSOI-UONOGXRCSA-N 1 1 294.402 3.025 20 30 CGEDMO C[C@@H]1C[C@H](CO)CC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000344145249 378160938 /nfs/dbraw/zinc/16/09/38/378160938.db2.gz OVZYTICHSNEJKJ-HUUCEWRRSA-N 1 1 286.419 3.081 20 30 CGEDMO C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000269774957 378266016 /nfs/dbraw/zinc/26/60/16/378266016.db2.gz CWWOIYALHQPEND-ZBFHGGJFSA-N 1 1 286.419 3.223 20 30 CGEDMO CCC[C@H](C)[N@@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000582340771 378304851 /nfs/dbraw/zinc/30/48/51/378304851.db2.gz WTKBESJZNUAIKE-WMLDXEAASA-N 1 1 299.418 3.174 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H]1C(=O)OC(C)C ZINC000583475978 378325270 /nfs/dbraw/zinc/32/52/70/378325270.db2.gz LZDKOLMVXAQVSF-AWEZNQCLSA-N 1 1 253.386 3.149 20 30 CGEDMO C=CCC[N@@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000270333452 378336207 /nfs/dbraw/zinc/33/62/07/378336207.db2.gz FCRAZWUOPPARQG-CQSZACIVSA-N 1 1 283.318 3.237 20 30 CGEDMO C=CCC[N@H+]1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000270333452 378336209 /nfs/dbraw/zinc/33/62/09/378336209.db2.gz FCRAZWUOPPARQG-CQSZACIVSA-N 1 1 283.318 3.237 20 30 CGEDMO C#CCCC[N@@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000271087070 378450624 /nfs/dbraw/zinc/45/06/24/378450624.db2.gz ZOUVWGWIWQNVII-CJNGLKHVSA-N 1 1 261.340 3.001 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)o1 ZINC000271180834 378473206 /nfs/dbraw/zinc/47/32/06/378473206.db2.gz LVNAFKKRIXEXBU-LBPRGKRZSA-N 1 1 270.307 3.280 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)o1 ZINC000271168797 378468010 /nfs/dbraw/zinc/46/80/10/378468010.db2.gz OUVPUHOCWWUSOS-ZDUSSCGKSA-N 1 1 270.307 3.280 20 30 CGEDMO COc1cccc(C[N@H+](C)Cc2ccc(C#N)s2)c1 ZINC000271019064 378428742 /nfs/dbraw/zinc/42/87/42/378428742.db2.gz TTZWPRQZRGVCRY-UHFFFAOYSA-N 1 1 272.373 3.260 20 30 CGEDMO COc1cccc(C[N@@H+](C)Cc2ccc(C#N)s2)c1 ZINC000271019064 378428746 /nfs/dbraw/zinc/42/87/46/378428746.db2.gz TTZWPRQZRGVCRY-UHFFFAOYSA-N 1 1 272.373 3.260 20 30 CGEDMO C=CC(C)(C)CCNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000637321396 378483884 /nfs/dbraw/zinc/48/38/84/378483884.db2.gz HGTLZJQEXSUZMN-GJZGRUSLSA-N 1 1 295.471 3.103 20 30 CGEDMO CC(=O)c1ccc(C#N)c(NC[C@H](c2ccco2)[NH+](C)C)c1 ZINC000272524085 378658158 /nfs/dbraw/zinc/65/81/58/378658158.db2.gz ODKKXZSESRTUEA-MRXNPFEDSA-N 1 1 297.358 3.069 20 30 CGEDMO C=CCCC[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272463017 378643508 /nfs/dbraw/zinc/64/35/08/378643508.db2.gz KOOZFSBOACTWAB-WMZOPIPTSA-N 1 1 272.436 3.453 20 30 CGEDMO C[C@@H](C[N@H+](CCCCC#N)[C@H](C)CO)c1ccccc1 ZINC000347450644 378719052 /nfs/dbraw/zinc/71/90/52/378719052.db2.gz KOQCGBOJSKXEDT-JKSUJKDBSA-N 1 1 274.408 3.167 20 30 CGEDMO C#CC[C@H]([NH2+]C1CCN(C(C)C)CC1)c1ccccc1 ZINC000272949186 378729508 /nfs/dbraw/zinc/72/95/08/378729508.db2.gz NRSUZFDLDVFIAV-SFHVURJKSA-N 1 1 270.420 3.213 20 30 CGEDMO C=CCOCCC[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000348052822 378768280 /nfs/dbraw/zinc/76/82/80/378768280.db2.gz UKQDPKLEUCGHOM-UHFFFAOYSA-N 1 1 273.298 3.128 20 30 CGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCC2(CCC2)C1 ZINC000348166023 378819582 /nfs/dbraw/zinc/81/95/82/378819582.db2.gz GPRQTWOCXUHYLT-CQSZACIVSA-N 1 1 297.402 3.151 20 30 CGEDMO C[N@@H+](Cc1ccc(Cl)cc1C#N)C[C@@H]1CCCCO1 ZINC000274751098 378889213 /nfs/dbraw/zinc/88/92/13/378889213.db2.gz HOOZVVICKGZVSN-HNNXBMFYSA-N 1 1 278.783 3.213 20 30 CGEDMO C[N@H+](Cc1ccc(Cl)cc1C#N)C[C@@H]1CCCCO1 ZINC000274751098 378889215 /nfs/dbraw/zinc/88/92/15/378889215.db2.gz HOOZVVICKGZVSN-HNNXBMFYSA-N 1 1 278.783 3.213 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)[C@H]([NH3+])c1ccc(F)cc1F ZINC000638866767 378941983 /nfs/dbraw/zinc/94/19/83/378941983.db2.gz VBCSKIDHEYUYDP-CQSZACIVSA-N 1 1 296.361 3.073 20 30 CGEDMO COc1ccc(C[N@@H+]2CCC[C@H]2c2cccnc2)cc1C#N ZINC000346968889 218072748 /nfs/dbraw/zinc/07/27/48/218072748.db2.gz FPZHUOKDDHHTFC-KRWDZBQOSA-N 1 1 293.370 3.299 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@H]2c2cccnc2)cc1C#N ZINC000346968889 218072749 /nfs/dbraw/zinc/07/27/49/218072749.db2.gz FPZHUOKDDHHTFC-KRWDZBQOSA-N 1 1 293.370 3.299 20 30 CGEDMO C=C(C)CC[N@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000274854398 378908059 /nfs/dbraw/zinc/90/80/59/378908059.db2.gz RTQWEXRIFVJWRK-UHFFFAOYSA-N 1 1 255.365 3.475 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1c(C(F)(F)F)nc2n1CCCC2 ZINC000638909209 378948915 /nfs/dbraw/zinc/94/89/15/378948915.db2.gz DDCIFLODVVJLEJ-UHFFFAOYSA-N 1 1 287.329 3.246 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1c(C(F)(F)F)nc2n1CCCC2 ZINC000638909209 378948918 /nfs/dbraw/zinc/94/89/18/378948918.db2.gz DDCIFLODVVJLEJ-UHFFFAOYSA-N 1 1 287.329 3.246 20 30 CGEDMO Cn1cc(C[N@H+]2CC[C@@H](C(F)(F)F)C2(C)C)cc1C#N ZINC000276770659 378993589 /nfs/dbraw/zinc/99/35/89/378993589.db2.gz ORDUKVOEMSWIOZ-GFCCVEGCSA-N 1 1 285.313 3.060 20 30 CGEDMO C[C@H]1c2ccsc2CC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000276740232 378989720 /nfs/dbraw/zinc/98/97/20/378989720.db2.gz IQZMPWGQTSSMSG-NSHDSACASA-N 1 1 271.389 3.078 20 30 CGEDMO C[C@H]1c2ccsc2CC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000276740232 378989724 /nfs/dbraw/zinc/98/97/24/378989724.db2.gz IQZMPWGQTSSMSG-NSHDSACASA-N 1 1 271.389 3.078 20 30 CGEDMO CC(C)[N@@H+](Cc1cc(C#N)n(C)c1)Cc1ccc(F)cc1 ZINC000276750746 378989982 /nfs/dbraw/zinc/98/99/82/378989982.db2.gz LAQQEVYZKLSAKV-UHFFFAOYSA-N 1 1 285.366 3.446 20 30 CGEDMO C#CC[N@H+](Cc1cnc(-c2ccco2)s1)C1CC1 ZINC000278605710 194066061 /nfs/dbraw/zinc/06/60/61/194066061.db2.gz JDGIEPURCRWZHP-UHFFFAOYSA-N 1 1 258.346 3.001 20 30 CGEDMO C#CC[N@@H+](Cc1cnc(-c2ccco2)s1)C1CC1 ZINC000278605710 194066063 /nfs/dbraw/zinc/06/60/63/194066063.db2.gz JDGIEPURCRWZHP-UHFFFAOYSA-N 1 1 258.346 3.001 20 30 CGEDMO N#Cc1ccccc1OCC[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278674854 194096091 /nfs/dbraw/zinc/09/60/91/194096091.db2.gz IOEZUCLVVWWWRD-GFCCVEGCSA-N 1 1 298.308 3.211 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000639264748 379210009 /nfs/dbraw/zinc/21/00/09/379210009.db2.gz FUQNIOYDJMEDDW-RDTXWAMCSA-N 1 1 298.386 3.036 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2ccc3nccnc3c2)C1 ZINC000639307928 379259553 /nfs/dbraw/zinc/25/95/53/379259553.db2.gz ASTAJTLCWHABTC-AWEZNQCLSA-N 1 1 267.376 3.418 20 30 CGEDMO C=CCC[C@H]([NH2+]C1CC(N2CCCCC2)C1)C1CC1 ZINC000373520761 379293322 /nfs/dbraw/zinc/29/33/22/379293322.db2.gz IYESCCFAEMSMHI-JCYILVPMSA-N 1 1 262.441 3.338 20 30 CGEDMO C=CC[NH+]1CCC(N[C@H](C)c2cc(C)oc2C)CC1 ZINC000278377244 379366622 /nfs/dbraw/zinc/36/66/22/379366622.db2.gz CTSPWTXMLNVENP-CYBMUJFWSA-N 1 1 262.397 3.197 20 30 CGEDMO CC(C)N1CCC([N@H+](C)CC(C)(C)CCC#N)CC1 ZINC000349818182 379399012 /nfs/dbraw/zinc/39/90/12/379399012.db2.gz HJSWSALBBNYWTF-UHFFFAOYSA-N 1 1 265.445 3.121 20 30 CGEDMO CC(C)N1CCC([N@@H+](C)CC(C)(C)CCC#N)CC1 ZINC000349818182 379399018 /nfs/dbraw/zinc/39/90/18/379399018.db2.gz HJSWSALBBNYWTF-UHFFFAOYSA-N 1 1 265.445 3.121 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000279274122 379416887 /nfs/dbraw/zinc/41/68/87/379416887.db2.gz JLRPNSRPHBQYIF-IIYDPXPESA-N 1 1 270.376 3.119 20 30 CGEDMO C=C1CC[NH+](Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000279654322 379482249 /nfs/dbraw/zinc/48/22/49/379482249.db2.gz NAHMORLTNARNNR-UHFFFAOYSA-N 1 1 271.339 3.163 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H](n2ccnn2)CC1 ZINC000639816486 379598316 /nfs/dbraw/zinc/59/83/16/379598316.db2.gz FKMITLOZUKQICX-LSDHHAIUSA-N 1 1 262.401 3.050 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@@H](C)c1nnc(-c2cccs2)o1 ZINC000351059944 379631680 /nfs/dbraw/zinc/63/16/80/379631680.db2.gz CEFPLFPEBHTUAO-JTQLQIEISA-N 1 1 263.366 3.367 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)c1nnc(-c2cccs2)o1 ZINC000351059944 379631691 /nfs/dbraw/zinc/63/16/91/379631691.db2.gz CEFPLFPEBHTUAO-JTQLQIEISA-N 1 1 263.366 3.367 20 30 CGEDMO C=C(CC)C[N@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000351067486 379631737 /nfs/dbraw/zinc/63/17/37/379631737.db2.gz VRDMRTKUMKYIHH-UHFFFAOYSA-N 1 1 267.376 3.197 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000639864309 379613861 /nfs/dbraw/zinc/61/38/61/379613861.db2.gz YEPSAWPIPAJZDF-ATLSCFEFSA-N 1 1 298.430 3.435 20 30 CGEDMO C[N@H+](CCCC(=O)c1ccccc1)[C@H]1CCC[C@@H]1C#N ZINC000640029588 379694665 /nfs/dbraw/zinc/69/46/65/379694665.db2.gz JVFUDZLWGSYFAL-CVEARBPZSA-N 1 1 270.376 3.274 20 30 CGEDMO C[N@@H+](CCCC(=O)c1ccccc1)[C@H]1CCC[C@@H]1C#N ZINC000640029588 379694672 /nfs/dbraw/zinc/69/46/72/379694672.db2.gz JVFUDZLWGSYFAL-CVEARBPZSA-N 1 1 270.376 3.274 20 30 CGEDMO CCC[C@H](C)[N@@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000267326857 190321168 /nfs/dbraw/zinc/32/11/68/190321168.db2.gz BAKIGMSUEKVZKW-JTQLQIEISA-N 1 1 293.436 3.296 20 30 CGEDMO C=CCCCCNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000351681053 379737438 /nfs/dbraw/zinc/73/74/38/379737438.db2.gz WZRAQIDAKWGJMD-MRXNPFEDSA-N 1 1 295.471 3.154 20 30 CGEDMO CC[N@@H+](CCC(C)(C)C#N)[C@H]1CCOC(C)(C)C1 ZINC000351923821 379747788 /nfs/dbraw/zinc/74/77/88/379747788.db2.gz AQPMGJVSWXCOTN-ZDUSSCGKSA-N 1 1 252.402 3.206 20 30 CGEDMO C[N@@H+](CC(C)(C)C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000352404190 379800468 /nfs/dbraw/zinc/80/04/68/379800468.db2.gz DTLUKIAIEGXVSG-MRXNPFEDSA-N 1 1 299.418 3.032 20 30 CGEDMO C[C@H](c1ccc(F)cc1)[NH+]1CCC(F)(C#N)CC1 ZINC000352451600 379820056 /nfs/dbraw/zinc/82/00/56/379820056.db2.gz YDLHTPFBYSPNPR-LLVKDONJSA-N 1 1 250.292 3.214 20 30 CGEDMO C[C@H](c1ccccc1F)[NH+]1CCC(F)(C#N)CC1 ZINC000352459250 379825445 /nfs/dbraw/zinc/82/54/45/379825445.db2.gz WDOFIZZFKBAXNS-LLVKDONJSA-N 1 1 250.292 3.214 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@H]2c2cccn2C)ccc1C#N ZINC000282294974 379890651 /nfs/dbraw/zinc/89/06/51/379890651.db2.gz LZEOCPMJVYVLPR-KRWDZBQOSA-N 1 1 295.386 3.242 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1C ZINC000267628920 190342540 /nfs/dbraw/zinc/34/25/40/190342540.db2.gz YUXMFJNSUYFZKI-OAHLLOKOSA-N 1 1 255.365 3.286 20 30 CGEDMO C=C(C)CN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352816536 379978391 /nfs/dbraw/zinc/97/83/91/379978391.db2.gz ORTPLEMCOGTLMF-GOSISDBHSA-N 1 1 270.420 3.161 20 30 CGEDMO C=C(C)CN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352816536 379978393 /nfs/dbraw/zinc/97/83/93/379978393.db2.gz ORTPLEMCOGTLMF-GOSISDBHSA-N 1 1 270.420 3.161 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000352816536 379978397 /nfs/dbraw/zinc/97/83/97/379978397.db2.gz ORTPLEMCOGTLMF-GOSISDBHSA-N 1 1 270.420 3.161 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000352816536 379978400 /nfs/dbraw/zinc/97/84/00/379978400.db2.gz ORTPLEMCOGTLMF-GOSISDBHSA-N 1 1 270.420 3.161 20 30 CGEDMO COc1cc(C[N@H+]2C[C@H](C)[C@H](C)[C@H]2C)ccc1C#N ZINC000399660017 379942776 /nfs/dbraw/zinc/94/27/76/379942776.db2.gz KZNGYCPBTIACNC-RWMBFGLXSA-N 1 1 258.365 3.043 20 30 CGEDMO CSCc1ccc(C[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000352945737 380051676 /nfs/dbraw/zinc/05/16/76/380051676.db2.gz PMOUZKFDQHXIRS-UHFFFAOYSA-N 1 1 289.429 3.168 20 30 CGEDMO C=CCC1(C(=O)N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)CCCC1 ZINC000410631749 380107358 /nfs/dbraw/zinc/10/73/58/380107358.db2.gz ANFJUFCHJDUYHQ-CABCVRRESA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)N[C@H](C)CCC ZINC000411142441 380131570 /nfs/dbraw/zinc/13/15/70/380131570.db2.gz WQYDTKXXZFILDU-KGLIPLIRSA-N 1 1 294.464 3.429 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)N[C@H](C)CCC ZINC000411142441 380131578 /nfs/dbraw/zinc/13/15/78/380131578.db2.gz WQYDTKXXZFILDU-KGLIPLIRSA-N 1 1 294.464 3.429 20 30 CGEDMO C=C[C@@H](CO)[NH2+][C@@H](C)c1csc(-c2ccccc2)n1 ZINC000414170226 380197442 /nfs/dbraw/zinc/19/74/42/380197442.db2.gz WBYYYJLAECVYCY-AAEUAGOBSA-N 1 1 274.389 3.008 20 30 CGEDMO COC(=O)[C@@H]1C[C@H](C)CC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411552294 380151582 /nfs/dbraw/zinc/15/15/82/380151582.db2.gz GIHPEZJKFYYAHW-CABCVRRESA-N 1 1 292.423 3.124 20 30 CGEDMO COC(=O)[C@@H]1C[C@H](C)CC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411552294 380151586 /nfs/dbraw/zinc/15/15/86/380151586.db2.gz GIHPEZJKFYYAHW-CABCVRRESA-N 1 1 292.423 3.124 20 30 CGEDMO C[N@@H+](CCC1(C#N)CCCCC1)[C@H]1CC[C@H](O)CC1 ZINC000411606717 380151957 /nfs/dbraw/zinc/15/19/57/380151957.db2.gz BSXWRJBOAZGPJE-SHTZXODSSA-N 1 1 264.413 3.086 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1cccnc1 ZINC000353962944 380256192 /nfs/dbraw/zinc/25/61/92/380256192.db2.gz XATCJZNKMFSALZ-MSOLQXFVSA-N 1 1 277.371 3.353 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1cccnc1 ZINC000353962944 380256193 /nfs/dbraw/zinc/25/61/93/380256193.db2.gz XATCJZNKMFSALZ-MSOLQXFVSA-N 1 1 277.371 3.353 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000353994669 380268483 /nfs/dbraw/zinc/26/84/83/380268483.db2.gz CPNNGTHNTHSKIC-GOSISDBHSA-N 1 1 262.356 3.375 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000644960843 380555028 /nfs/dbraw/zinc/55/50/28/380555028.db2.gz VLNQXPUEHYOLMS-GOEBONIOSA-N 1 1 261.409 3.069 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000645100692 380581981 /nfs/dbraw/zinc/58/19/81/380581981.db2.gz AQQNBOJXFRFJJF-AWEZNQCLSA-N 1 1 295.810 3.386 20 30 CGEDMO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1CC1(C#N)CCC1 ZINC000420936320 380863685 /nfs/dbraw/zinc/86/36/85/380863685.db2.gz ZHFUIPULLAMEEP-KGLIPLIRSA-N 1 1 292.423 3.122 20 30 CGEDMO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1CC1(C#N)CCC1 ZINC000420936320 380863694 /nfs/dbraw/zinc/86/36/94/380863694.db2.gz ZHFUIPULLAMEEP-KGLIPLIRSA-N 1 1 292.423 3.122 20 30 CGEDMO C=C(C[NH2+]Cc1nn(C)c(C)c1Cl)c1ccccc1 ZINC000421322430 380874668 /nfs/dbraw/zinc/87/46/68/380874668.db2.gz GFAWEEGBLVMQBY-UHFFFAOYSA-N 1 1 275.783 3.185 20 30 CGEDMO COCCCC[N@@H+](C)CC#Cc1ccccc1Cl ZINC000419391133 380827825 /nfs/dbraw/zinc/82/78/25/380827825.db2.gz QYYZDNMXTSRPGF-UHFFFAOYSA-N 1 1 265.784 3.050 20 30 CGEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCO[C@H](C)C1 ZINC000420902256 380860690 /nfs/dbraw/zinc/86/06/90/380860690.db2.gz MEPJUJFSZNTUNP-UKRRQHHQSA-N 1 1 290.363 3.150 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)Cc1cc(=O)c(OC)co1 ZINC000279262341 194356035 /nfs/dbraw/zinc/35/60/35/194356035.db2.gz IITQIFBSMZXDTC-UHFFFAOYSA-N 1 1 299.370 3.227 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1cc(=O)c(OC)co1 ZINC000279262341 194356038 /nfs/dbraw/zinc/35/60/38/194356038.db2.gz IITQIFBSMZXDTC-UHFFFAOYSA-N 1 1 299.370 3.227 20 30 CGEDMO N#Cc1cc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)ccc1F ZINC000334804500 207108035 /nfs/dbraw/zinc/10/80/35/207108035.db2.gz BZFZGNWMZNRKHP-FUHWJXTLSA-N 1 1 296.345 3.005 20 30 CGEDMO N#Cc1cc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)ccc1F ZINC000334804500 207108042 /nfs/dbraw/zinc/10/80/42/207108042.db2.gz BZFZGNWMZNRKHP-FUHWJXTLSA-N 1 1 296.345 3.005 20 30 CGEDMO C=C(CC)C[N@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000358637615 381320472 /nfs/dbraw/zinc/32/04/72/381320472.db2.gz WFOWFWGGCSQTSE-UHFFFAOYSA-N 1 1 260.381 3.140 20 30 CGEDMO C=C(CC)C[N@@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000358637615 381320480 /nfs/dbraw/zinc/32/04/80/381320480.db2.gz WFOWFWGGCSQTSE-UHFFFAOYSA-N 1 1 260.381 3.140 20 30 CGEDMO C=CCC1(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)CCC1 ZINC000359641704 381358503 /nfs/dbraw/zinc/35/85/03/381358503.db2.gz WELQNXOHMLQACP-GASCZTMLSA-N 1 1 278.440 3.112 20 30 CGEDMO CC[N@H+]1C[C@@H](C)N(Cc2ccc(Cl)cc2C#N)C[C@@H]1C ZINC000360115291 381452485 /nfs/dbraw/zinc/45/24/85/381452485.db2.gz LLJNPNOADROJHK-QWHCGFSZSA-N 1 1 291.826 3.126 20 30 CGEDMO CC(C)CC[C@@H](O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000361274511 381671296 /nfs/dbraw/zinc/67/12/96/381671296.db2.gz RWXIHKJEKFAXNE-CQSZACIVSA-N 1 1 254.418 3.045 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)CC1(COC)CCC1 ZINC000361310596 381690387 /nfs/dbraw/zinc/69/03/87/381690387.db2.gz ULSJHUCLKICKRN-UHFFFAOYSA-N 1 1 266.429 3.455 20 30 CGEDMO CC(C)CC[C@@H](O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000361321525 381694404 /nfs/dbraw/zinc/69/44/04/381694404.db2.gz OWEARBWDZPSKDP-LJQANCHMSA-N 1 1 298.430 3.444 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@@H+](CC1CC1)C1CCC1 ZINC000361588914 381822865 /nfs/dbraw/zinc/82/28/65/381822865.db2.gz SVCWZNZRKGMWRK-UHFFFAOYSA-N 1 1 258.340 3.462 20 30 CGEDMO CC[N@H+](Cc1ccc(Cl)cc1C#N)C[C@H](C)OC ZINC000361573694 381813516 /nfs/dbraw/zinc/81/35/16/381813516.db2.gz NHJRKEBOJLFLBB-NSHDSACASA-N 1 1 266.772 3.068 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C#N)s1)[C@H]1CC[C@@H](C)C1 ZINC000361639412 381849010 /nfs/dbraw/zinc/84/90/10/381849010.db2.gz ONGFPHLPPGVROM-OLZOCXBDSA-N 1 1 278.421 3.257 20 30 CGEDMO COC1CCC([N@@H+](C)Cc2cccc(F)c2C#N)CC1 ZINC000362279871 381927768 /nfs/dbraw/zinc/92/77/68/381927768.db2.gz SAKVWQWUZVISRL-UHFFFAOYSA-N 1 1 276.355 3.087 20 30 CGEDMO CC(C)(C)OCC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000362425943 381985721 /nfs/dbraw/zinc/98/57/21/381985721.db2.gz YQAGMHOKFXWOIZ-UHFFFAOYSA-N 1 1 284.403 3.462 20 30 CGEDMO C[N@H+]1Cc2ccccc2[C@H](Nc2ncc(C#N)cc2Cl)C1 ZINC000363450070 382221201 /nfs/dbraw/zinc/22/12/01/382221201.db2.gz ORRQFKSEZHKYOJ-OAHLLOKOSA-N 1 1 298.777 3.205 20 30 CGEDMO C[N@@H+]1Cc2ccccc2[C@H](Nc2ncc(C#N)cc2Cl)C1 ZINC000363450070 382221207 /nfs/dbraw/zinc/22/12/07/382221207.db2.gz ORRQFKSEZHKYOJ-OAHLLOKOSA-N 1 1 298.777 3.205 20 30 CGEDMO Cc1ccc(C2CC[NH+](C[C@H](C#N)CCC#N)CC2)cn1 ZINC000363673361 382246295 /nfs/dbraw/zinc/24/62/95/382246295.db2.gz PHCSBILTSZKEKV-HNNXBMFYSA-N 1 1 282.391 3.013 20 30 CGEDMO N#CCC[N@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000363823989 382257045 /nfs/dbraw/zinc/25/70/45/382257045.db2.gz PTKVTKLUHCZSMI-LBPRGKRZSA-N 1 1 268.282 3.408 20 30 CGEDMO N#CCC[N@@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000363823989 382257049 /nfs/dbraw/zinc/25/70/49/382257049.db2.gz PTKVTKLUHCZSMI-LBPRGKRZSA-N 1 1 268.282 3.408 20 30 CGEDMO CO[C@]1(C)CCC[N@@H+](CCCC(C)(C)C#N)CC1 ZINC000366467062 382308348 /nfs/dbraw/zinc/30/83/48/382308348.db2.gz RQIMUHLJEQYHQD-OAHLLOKOSA-N 1 1 252.402 3.207 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)cc1 ZINC000367369183 382345338 /nfs/dbraw/zinc/34/53/38/382345338.db2.gz AGPYGWBUKQWHTB-HXUWFJFHSA-N 1 1 289.378 3.299 20 30 CGEDMO N#Cc1csc(C[NH2+][C@@H]2CCc3c2cccc3Cl)n1 ZINC000335308009 208159205 /nfs/dbraw/zinc/15/92/05/208159205.db2.gz YNGLZXVXRQBLAF-CYBMUJFWSA-N 1 1 289.791 3.445 20 30 CGEDMO Cc1nn(C(C)C)cc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000281702675 195344919 /nfs/dbraw/zinc/34/49/19/195344919.db2.gz SVBIXNMDBFHEEO-UHFFFAOYSA-N 1 1 282.391 3.276 20 30 CGEDMO Cc1nn(C(C)C)cc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000281702675 195344921 /nfs/dbraw/zinc/34/49/21/195344921.db2.gz SVBIXNMDBFHEEO-UHFFFAOYSA-N 1 1 282.391 3.276 20 30 CGEDMO COc1ccc(C[N@H+](CCC#N)CC2CC2)c(C)c1OC ZINC000347804530 533548032 /nfs/dbraw/zinc/54/80/32/533548032.db2.gz GCLUXTSOUMEGLZ-UHFFFAOYSA-N 1 1 288.391 3.138 20 30 CGEDMO COc1ccc(C[N@@H+](CCC#N)CC2CC2)c(C)c1OC ZINC000347804530 533548034 /nfs/dbraw/zinc/54/80/34/533548034.db2.gz GCLUXTSOUMEGLZ-UHFFFAOYSA-N 1 1 288.391 3.138 20 30 CGEDMO Cc1cc(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)ccc1C#N ZINC000411926527 533636312 /nfs/dbraw/zinc/63/63/12/533636312.db2.gz PVZBJIPHIWHERG-MOPGFXCFSA-N 1 1 292.382 3.175 20 30 CGEDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191406629 130233041 /nfs/dbraw/zinc/23/30/41/130233041.db2.gz ALKCALITKFWOPQ-RDTXWAMCSA-N 1 1 279.387 3.275 20 30 CGEDMO Cn1cc(C[N@@H+](C)CC2(c3ccccc3)CC2)cc1C#N ZINC000191538434 130251488 /nfs/dbraw/zinc/25/14/88/130251488.db2.gz IXCOGNXUGXMCSC-UHFFFAOYSA-N 1 1 279.387 3.060 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CC=C(c2cccc(OC)c2)CC1 ZINC000370505859 260066497 /nfs/dbraw/zinc/06/64/97/260066497.db2.gz ZOIBEKUYVKGGGY-QGZVFWFLSA-N 1 1 287.403 3.111 20 30 CGEDMO C=CCN(CC[C@@H]1CCC[N@@H+]1C)Cc1cccc(C#N)c1 ZINC000089426381 392227838 /nfs/dbraw/zinc/22/78/38/392227838.db2.gz VBGCEHIBUGRKSP-SFHVURJKSA-N 1 1 283.419 3.031 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000285224663 392319258 /nfs/dbraw/zinc/31/92/58/392319258.db2.gz RXGPWBXEWPSXLH-MOPGFXCFSA-N 1 1 299.414 3.232 20 30 CGEDMO CC[N@@H+](CC#Cc1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000289743492 392431120 /nfs/dbraw/zinc/43/11/20/392431120.db2.gz JRYUTMOYKPNDHG-QGZVFWFLSA-N 1 1 271.404 3.318 20 30 CGEDMO CCn1nc(C)c(C[N@@H+](C)Cc2ccc(C#N)cc2)c1C ZINC000131176119 392456953 /nfs/dbraw/zinc/45/69/53/392456953.db2.gz RDNSJPXAUZPGAT-UHFFFAOYSA-N 1 1 282.391 3.024 20 30 CGEDMO C=CC[N@H+](C)Cc1c(C)nn(Cc2ccccc2)c1C ZINC000154788354 392537218 /nfs/dbraw/zinc/53/72/18/392537218.db2.gz ZXSOSYNEIDNPPF-UHFFFAOYSA-N 1 1 269.392 3.166 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000150880828 392481956 /nfs/dbraw/zinc/48/19/56/392481956.db2.gz FDZCKNQWUOCKSI-OAHLLOKOSA-N 1 1 278.371 3.030 20 30 CGEDMO CC#CCC[N@@H+](C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000155976246 392544669 /nfs/dbraw/zinc/54/46/69/392544669.db2.gz QBUVTAICKSLXRU-MJGOQNOKSA-N 1 1 284.447 3.385 20 30 CGEDMO C[C@H](CNc1ccc(C#N)cc1)[N@H+]1CCc2sccc2C1 ZINC000301063552 392584630 /nfs/dbraw/zinc/58/46/30/392584630.db2.gz CDINXLQAVFCFIQ-CYBMUJFWSA-N 1 1 297.427 3.478 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000156533005 392548271 /nfs/dbraw/zinc/54/82/71/392548271.db2.gz YEXFYAGHHYLKCM-AWEZNQCLSA-N 1 1 268.360 3.421 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000505868184 392702936 /nfs/dbraw/zinc/70/29/36/392702936.db2.gz GHTBWWRNRDSXJB-MRXNPFEDSA-N 1 1 292.382 3.459 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)c1 ZINC000181096652 392720291 /nfs/dbraw/zinc/72/02/91/392720291.db2.gz VQPYYBRJLAAIEG-AEFFLSMTSA-N 1 1 289.419 3.234 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000185952591 392775259 /nfs/dbraw/zinc/77/52/59/392775259.db2.gz NTOODXMYYXNTDV-BHYGNILZSA-N 1 1 286.419 3.150 20 30 CGEDMO CCOC[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2C)C1 ZINC000186231262 392780149 /nfs/dbraw/zinc/78/01/49/392780149.db2.gz ZQSMJSWVSYOJOK-INIZCTEOSA-N 1 1 272.392 3.115 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000186255009 392780291 /nfs/dbraw/zinc/78/02/91/392780291.db2.gz DYCUKHXWIQXQLD-KRWDZBQOSA-N 1 1 282.343 3.033 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000186255009 392780295 /nfs/dbraw/zinc/78/02/95/392780295.db2.gz DYCUKHXWIQXQLD-KRWDZBQOSA-N 1 1 282.343 3.033 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+](C(C)C)C1CCOCC1 ZINC000186297004 392782902 /nfs/dbraw/zinc/78/29/02/392782902.db2.gz XSTKQLZWOBBMBS-UHFFFAOYSA-N 1 1 272.392 3.256 20 30 CGEDMO COCC[N@H+](Cc1ccc(Cl)cc1C#N)CC(C)C ZINC000186668285 392786019 /nfs/dbraw/zinc/78/60/19/392786019.db2.gz TWHMOZVNDMYWFO-UHFFFAOYSA-N 1 1 280.799 3.316 20 30 CGEDMO CC[C@@H]1C[N@@H+]([C@@H](C)c2cccc(C#N)c2)C[C@H](C)O1 ZINC000187154399 392787890 /nfs/dbraw/zinc/78/78/90/392787890.db2.gz SHUIWLGHMIAEBO-HEHGZKQESA-N 1 1 258.365 3.119 20 30 CGEDMO CC[C@@H]1C[N@H+]([C@@H](C)c2cccc(C#N)c2)C[C@H](C)O1 ZINC000187154399 392787893 /nfs/dbraw/zinc/78/78/93/392787893.db2.gz SHUIWLGHMIAEBO-HEHGZKQESA-N 1 1 258.365 3.119 20 30 CGEDMO C=CC[N@@H+](Cc1cc(C#N)n(C)c1)Cc1ccc(OC)cc1 ZINC000191263620 392826278 /nfs/dbraw/zinc/82/62/78/392826278.db2.gz SUQGLRRIGQTYNH-UHFFFAOYSA-N 1 1 295.386 3.094 20 30 CGEDMO C=C(CC)C[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000337426269 392885001 /nfs/dbraw/zinc/88/50/01/392885001.db2.gz DBKLBBZGLKEYTP-HNNXBMFYSA-N 1 1 274.408 3.104 20 30 CGEDMO C=CCCCC[N@@H+]1CCO[C@H](c2cccc(OC)c2)C1 ZINC000519803235 392895463 /nfs/dbraw/zinc/89/54/63/392895463.db2.gz UGIRLNAVBRRZTI-KRWDZBQOSA-N 1 1 275.392 3.425 20 30 CGEDMO C=CCCCC[N@H+]1CCO[C@H](c2cccc(OC)c2)C1 ZINC000519803235 392895470 /nfs/dbraw/zinc/89/54/70/392895470.db2.gz UGIRLNAVBRRZTI-KRWDZBQOSA-N 1 1 275.392 3.425 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000338362098 392912297 /nfs/dbraw/zinc/91/22/97/392912297.db2.gz TWUDQUMANFOYTH-CHWSQXEVSA-N 1 1 291.357 3.368 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000338376983 392912629 /nfs/dbraw/zinc/91/26/29/392912629.db2.gz SQGYYILEIWZKAH-SJLPKXTDSA-N 1 1 298.430 3.189 20 30 CGEDMO C[C@@H](C#N)C[N@H+](Cc1ccc2c(c1)CCC2)C1CC1 ZINC000338377384 392912792 /nfs/dbraw/zinc/91/27/92/392912792.db2.gz HZMAYXCDFPORCF-ZDUSSCGKSA-N 1 1 254.377 3.299 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](Cc1ccc2c(c1)CCC2)C1CC1 ZINC000338377384 392912798 /nfs/dbraw/zinc/91/27/98/392912798.db2.gz HZMAYXCDFPORCF-ZDUSSCGKSA-N 1 1 254.377 3.299 20 30 CGEDMO CC(C)N1CCC([NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000336556993 392862924 /nfs/dbraw/zinc/86/29/24/392862924.db2.gz SZHNFBCWDWZHKQ-IBGZPJMESA-N 1 1 297.446 3.398 20 30 CGEDMO CC(C)[NH+]1CCC(N[C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000336556993 392862930 /nfs/dbraw/zinc/86/29/30/392862930.db2.gz SZHNFBCWDWZHKQ-IBGZPJMESA-N 1 1 297.446 3.398 20 30 CGEDMO C=CCC[N@H+](C)Cc1cnn(-c2ccccc2C)c1 ZINC000648027979 392875746 /nfs/dbraw/zinc/87/57/46/392875746.db2.gz KDRFWRKXDLALBK-UHFFFAOYSA-N 1 1 255.365 3.189 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)Nc1ccc2nc(N(C)C)[nH]c2c1 ZINC000338925835 392936777 /nfs/dbraw/zinc/93/67/77/392936777.db2.gz MRGIVIDTZYMTIF-INIZCTEOSA-N 1 1 286.379 3.170 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nc2ccccc2nc1C ZINC000489511538 542716107 /nfs/dbraw/zinc/71/61/07/542716107.db2.gz NFLODHVFFQENLK-CQSZACIVSA-N 1 1 267.376 3.479 20 30 CGEDMO CC1CC[NH+](C[C@@H]2CCCN([C@@H]3CC[C@H](C#N)C3)C2)CC1 ZINC000338942727 392936096 /nfs/dbraw/zinc/93/60/96/392936096.db2.gz OAWBMOAEZLAIRN-OKZBNKHCSA-N 1 1 289.467 3.123 20 30 CGEDMO COc1ccc(C[N@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)cc1C#N ZINC000399514004 392945067 /nfs/dbraw/zinc/94/50/67/392945067.db2.gz ADKVZNSNIBAFCV-XQQFMLRXSA-N 1 1 258.365 3.043 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1cc(C(=O)OC)c(CC)o1 ZINC000338953159 392938170 /nfs/dbraw/zinc/93/81/70/392938170.db2.gz RBIUUNPAIWHLIV-LBPRGKRZSA-N 1 1 277.364 3.169 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(C(=O)OC)c(CC)o1 ZINC000338953159 392938177 /nfs/dbraw/zinc/93/81/77/392938177.db2.gz RBIUUNPAIWHLIV-LBPRGKRZSA-N 1 1 277.364 3.169 20 30 CGEDMO C[C@@H]1CC[N@@H+](CCOCCC#N)[C@H]1c1cccc(F)c1 ZINC000339011196 392941582 /nfs/dbraw/zinc/94/15/82/392941582.db2.gz QOVIASJPPPSTOP-CZUORRHYSA-N 1 1 276.355 3.139 20 30 CGEDMO CC[C@@H]1CC[C@H](C)[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459512849 392946141 /nfs/dbraw/zinc/94/61/41/392946141.db2.gz NRXMDPYAFLREBT-QWHCGFSZSA-N 1 1 287.363 3.477 20 30 CGEDMO CC[C@@H]1CC[C@H](C)[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459512849 392946147 /nfs/dbraw/zinc/94/61/47/392946147.db2.gz NRXMDPYAFLREBT-QWHCGFSZSA-N 1 1 287.363 3.477 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000412036351 392994459 /nfs/dbraw/zinc/99/44/59/392994459.db2.gz FTAWXKSOPLAXMW-UAGQMJEPSA-N 1 1 298.430 3.081 20 30 CGEDMO CC(C)[N@H+](Cc1ccc(C#N)s1)Cc1ccccn1 ZINC000534347224 392998023 /nfs/dbraw/zinc/99/80/23/392998023.db2.gz CYHADGIMECAZNS-UHFFFAOYSA-N 1 1 271.389 3.425 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc(C#N)s1)Cc1ccccn1 ZINC000534347224 392998036 /nfs/dbraw/zinc/99/80/36/392998036.db2.gz CYHADGIMECAZNS-UHFFFAOYSA-N 1 1 271.389 3.425 20 30 CGEDMO COC(=O)c1cccc(C[N@@H+](C(C)C)C2CCC2)c1C#N ZINC000534472451 392998165 /nfs/dbraw/zinc/99/81/65/392998165.db2.gz AQGPJELFHVGVBA-UHFFFAOYSA-N 1 1 286.375 3.108 20 30 CGEDMO C[C@H]1COC[C@H](c2ccccc2)[N@@H+]1CCC(C)(C)C#N ZINC000346993142 393098181 /nfs/dbraw/zinc/09/81/81/393098181.db2.gz VODZFDHRVOOHMU-GOEBONIOSA-N 1 1 272.392 3.388 20 30 CGEDMO C[C@H]1COC[C@H](c2ccccc2)[N@H+]1CCC(C)(C)C#N ZINC000346993142 393098187 /nfs/dbraw/zinc/09/81/87/393098187.db2.gz VODZFDHRVOOHMU-GOEBONIOSA-N 1 1 272.392 3.388 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(-n2ccnc2)cs1 ZINC000346180497 393078148 /nfs/dbraw/zinc/07/81/48/393078148.db2.gz QDNWZYXOHKGLNQ-UHFFFAOYSA-N 1 1 261.394 3.332 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)CC1(OC)CCCC1 ZINC000348639940 393127326 /nfs/dbraw/zinc/12/73/26/393127326.db2.gz FPAMKDKCHNEINH-UHFFFAOYSA-N 1 1 293.407 3.109 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000348880448 393134787 /nfs/dbraw/zinc/13/47/87/393134787.db2.gz VGPGNKUKWKDRTO-CYBMUJFWSA-N 1 1 297.345 3.313 20 30 CGEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ncccc2C#N)C1 ZINC000265086501 393164661 /nfs/dbraw/zinc/16/46/61/393164661.db2.gz SQFAMFIMNXJJHQ-JKSUJKDBSA-N 1 1 298.434 3.044 20 30 CGEDMO CC[C@H](CN[C@H]1CCc2ccc(C#N)cc21)[NH+]1CCCC1 ZINC000353412202 393220656 /nfs/dbraw/zinc/22/06/56/393220656.db2.gz LDWFUKQBIXYMJC-AEFFLSMTSA-N 1 1 283.419 3.010 20 30 CGEDMO C[C@H]1CCCC[N@@H+]1CCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353411597 393221682 /nfs/dbraw/zinc/22/16/82/393221682.db2.gz KNUULBUKLXSIKZ-KBXCAEBGSA-N 1 1 283.419 3.010 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353411597 393221688 /nfs/dbraw/zinc/22/16/88/393221688.db2.gz KNUULBUKLXSIKZ-KBXCAEBGSA-N 1 1 283.419 3.010 20 30 CGEDMO C#CCC[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000270680656 393240022 /nfs/dbraw/zinc/24/00/22/393240022.db2.gz YRQNUEZTTRQGEI-LSDHHAIUSA-N 1 1 277.433 3.440 20 30 CGEDMO C=CCC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1 ZINC000648835449 393267805 /nfs/dbraw/zinc/26/78/05/393267805.db2.gz RSELLTDFLANWKM-DJIMGWMZSA-N 1 1 286.419 3.150 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cccc(OCC(C)C)c1 ZINC000483433868 393443248 /nfs/dbraw/zinc/44/32/48/393443248.db2.gz VKQSQADJQYWUKL-UHFFFAOYSA-N 1 1 277.408 3.356 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2F)[C@@H]1C1CC1 ZINC000356290302 393409657 /nfs/dbraw/zinc/40/96/57/393409657.db2.gz HFQWKUVTQANRRT-OAHLLOKOSA-N 1 1 258.340 3.318 20 30 CGEDMO CO[C@H](C)C[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356295385 393412537 /nfs/dbraw/zinc/41/25/37/393412537.db2.gz BNGFJMUKRKRQBD-SNVBAGLBSA-N 1 1 286.297 3.044 20 30 CGEDMO CC(C)O[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000649702729 393549182 /nfs/dbraw/zinc/54/91/82/393549182.db2.gz LSPNCDZGFIDMJR-QGZVFWFLSA-N 1 1 275.367 3.067 20 30 CGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000443650371 393769665 /nfs/dbraw/zinc/76/96/65/393769665.db2.gz IVYFFQGBFYNQCW-KFWWJZLASA-N 1 1 299.418 3.253 20 30 CGEDMO CC(C)C[C@H](C)[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000445452650 393795008 /nfs/dbraw/zinc/79/50/08/393795008.db2.gz FLWIBGSMIHLCBA-WMLDXEAASA-N 1 1 272.392 3.366 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)cc1 ZINC000449543560 393892832 /nfs/dbraw/zinc/89/28/32/393892832.db2.gz SZPQWEKKPOZQHU-IAGOWNOFSA-N 1 1 252.361 3.179 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCOCC23CCCCC3)cc1 ZINC000449623726 393924866 /nfs/dbraw/zinc/92/48/66/393924866.db2.gz KKPJAHICXUFMAQ-UHFFFAOYSA-N 1 1 270.376 3.093 20 30 CGEDMO CO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)c(C)c2)C12CCC2 ZINC000449634163 393929686 /nfs/dbraw/zinc/92/96/86/393929686.db2.gz RCHZXOIHOXHYKK-DLBZAZTESA-N 1 1 284.403 3.256 20 30 CGEDMO N#CCSCCC[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451855899 394048761 /nfs/dbraw/zinc/04/87/61/394048761.db2.gz OYAHKAYXRWGPOI-AWEZNQCLSA-N 1 1 276.405 3.453 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000668625665 543037769 /nfs/dbraw/zinc/03/77/69/543037769.db2.gz XPHRZMBVGDVBKE-CABCVRRESA-N 1 1 275.392 3.251 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CCC[C@@H](Oc2ccccc2OC)C1 ZINC000671732555 543183018 /nfs/dbraw/zinc/18/30/18/543183018.db2.gz OZZUYEDJTATAMQ-JKSUJKDBSA-N 1 1 287.403 3.340 20 30 CGEDMO CCC#C[C@@H](C)[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000650060705 397773365 /nfs/dbraw/zinc/77/33/65/397773365.db2.gz CJBKHRHNBBTENM-PBHICJAKSA-N 1 1 257.377 3.034 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000675496954 543345089 /nfs/dbraw/zinc/34/50/89/543345089.db2.gz FPIWUKMIOXCECA-WFASDCNBSA-N 1 1 263.356 3.072 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000677046788 543427776 /nfs/dbraw/zinc/42/77/76/543427776.db2.gz JJPYVOPXJKFXMM-ZDUSSCGKSA-N 1 1 273.298 3.074 20 30 CGEDMO Cc1ccc(NC[C@H](C)[N@@H+](C)Cc2ccccc2)nc1C#N ZINC000302603186 292161424 /nfs/dbraw/zinc/16/14/24/292161424.db2.gz CQCMHDULTQIRCK-HNNXBMFYSA-N 1 1 294.402 3.194 20 30 CGEDMO COCC#CC[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000677478579 543450351 /nfs/dbraw/zinc/45/03/51/543450351.db2.gz ATFJQEUDRTXGOA-SFHVURJKSA-N 1 1 282.387 3.345 20 30 CGEDMO COCC1([N@@H+](C)CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000677729017 543460633 /nfs/dbraw/zinc/46/06/33/543460633.db2.gz SIKJWAMNGKQGBV-UHFFFAOYSA-N 1 1 297.320 3.168 20 30 CGEDMO CCCCCCCC[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000744411937 572750849 /nfs/dbraw/zinc/75/08/49/572750849.db2.gz ALUGFLTYJQXVFG-QGZVFWFLSA-N 1 1 282.472 3.144 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C[C@@H](C)CO)C(C)(C)C)cc1 ZINC000678044123 543478078 /nfs/dbraw/zinc/47/80/78/543478078.db2.gz MCFCMXFGLZOZAW-OAHLLOKOSA-N 1 1 291.435 3.480 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)Cc2cn[nH]c2)cc1Cl ZINC000678268220 543505962 /nfs/dbraw/zinc/50/59/62/543505962.db2.gz WYYVVLFAEVTWGH-UHFFFAOYSA-N 1 1 291.782 3.260 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)Cc2cn[nH]c2)cc1Cl ZINC000678268220 543505965 /nfs/dbraw/zinc/50/59/65/543505965.db2.gz WYYVVLFAEVTWGH-UHFFFAOYSA-N 1 1 291.782 3.260 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C(C)C)C1CCC1 ZINC000121445763 286191935 /nfs/dbraw/zinc/19/19/35/286191935.db2.gz GZBMZQBNJXUPCV-UHFFFAOYSA-N 1 1 258.365 3.330 20 30 CGEDMO CC[C@@H]1CCC[N@@H+](CCOc2cccc(C#N)c2)CC1 ZINC000079054511 287053540 /nfs/dbraw/zinc/05/35/40/287053540.db2.gz NXNHLHZTQZEHLT-OAHLLOKOSA-N 1 1 272.392 3.449 20 30 CGEDMO C[C@@H]1CCCCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000070409547 165060110 /nfs/dbraw/zinc/06/01/10/165060110.db2.gz XPNKHLRQCHZUHP-CQSZACIVSA-N 1 1 258.365 3.202 20 30 CGEDMO N#Cc1cc(C[N@H+](Cc2ccncc2)C2CC2)ccc1F ZINC000093221617 165323716 /nfs/dbraw/zinc/32/37/16/165323716.db2.gz YYDYVWXKQLHVSU-UHFFFAOYSA-N 1 1 281.334 3.257 20 30 CGEDMO N#Cc1cc(C[N@@H+](Cc2ccncc2)C2CC2)ccc1F ZINC000093221617 165323718 /nfs/dbraw/zinc/32/37/18/165323718.db2.gz YYDYVWXKQLHVSU-UHFFFAOYSA-N 1 1 281.334 3.257 20 30 CGEDMO C[C@H](c1cccnc1)[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000093236013 165327050 /nfs/dbraw/zinc/32/70/50/165327050.db2.gz QABLDBITJOFUPB-OAHLLOKOSA-N 1 1 295.386 3.415 20 30 CGEDMO CC(C)CCO[C@@H]1CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000093476284 165331855 /nfs/dbraw/zinc/33/18/55/165331855.db2.gz ZTHCQKXKTDFEKO-CQSZACIVSA-N 1 1 278.421 3.257 20 30 CGEDMO CC[C@@H]1CC[C@H](C)[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000357555587 287119670 /nfs/dbraw/zinc/11/96/70/287119670.db2.gz SORDBEIKZWZLDZ-DZGCQCFKSA-N 1 1 288.391 3.209 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C1CC1)C1CCCC1 ZINC000120905633 287189276 /nfs/dbraw/zinc/18/92/76/287189276.db2.gz BYDGHXCTBNUFHY-UHFFFAOYSA-N 1 1 270.376 3.474 20 30 CGEDMO C[C@H]([NH2+]CCC#N)c1ccc(OC(F)(F)F)cc1 ZINC000020200033 171063475 /nfs/dbraw/zinc/06/34/75/171063475.db2.gz NGZZQZSCOHMRFT-VIFPVBQESA-N 1 1 258.243 3.149 20 30 CGEDMO C=CCOc1ccc(C[NH2+]CCN(C(C)C)C(C)C)cc1 ZINC000020546176 171244197 /nfs/dbraw/zinc/24/41/97/171244197.db2.gz GULBBSIMKPGMBB-UHFFFAOYSA-N 1 1 290.451 3.460 20 30 CGEDMO CC[C@H]1CCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000037913795 173847919 /nfs/dbraw/zinc/84/79/19/173847919.db2.gz SLFKBADQHMVVEX-HNNXBMFYSA-N 1 1 258.365 3.202 20 30 CGEDMO Cc1csc(C[NH2+][C@@H](C)c2cccc(C#N)c2)n1 ZINC000038091130 174104949 /nfs/dbraw/zinc/10/49/49/174104949.db2.gz WPYPPRFGOPJXIX-NSHDSACASA-N 1 1 257.362 3.174 20 30 CGEDMO CC(C)n1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2)n1 ZINC000069988571 175866279 /nfs/dbraw/zinc/86/62/79/175866279.db2.gz PXLXSPQYPWFJMZ-CYBMUJFWSA-N 1 1 268.364 3.186 20 30 CGEDMO CC(C)CC[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000048923298 416462649 /nfs/dbraw/zinc/46/26/49/416462649.db2.gz PJOLVCPSKIMFLW-UHFFFAOYSA-N 1 1 260.381 3.305 20 30 CGEDMO Cc1ccc(Br)cc1C[N@@H+](C)[C@H](C)CC#N ZINC000313764749 416536270 /nfs/dbraw/zinc/53/62/70/416536270.db2.gz DXYWAZQRUHVIHM-LLVKDONJSA-N 1 1 281.197 3.492 20 30 CGEDMO Cc1ccc(Br)cc1C[N@H+](C)[C@H](C)CC#N ZINC000313764749 416536276 /nfs/dbraw/zinc/53/62/76/416536276.db2.gz DXYWAZQRUHVIHM-LLVKDONJSA-N 1 1 281.197 3.492 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000342734306 416541400 /nfs/dbraw/zinc/54/14/00/416541400.db2.gz JPYFFTDBAXNMIM-QWHCGFSZSA-N 1 1 294.826 3.414 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000679359682 543628453 /nfs/dbraw/zinc/62/84/53/543628453.db2.gz MMGPQOJRHZAGCG-GFCCVEGCSA-N 1 1 261.365 3.027 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@H](F)C2)cc1OC ZINC000679359788 543628838 /nfs/dbraw/zinc/62/88/38/543628838.db2.gz ONRCKWOCZLIBMP-DZGCQCFKSA-N 1 1 293.382 3.440 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@H](C)[C@H](F)C2)cc1OC ZINC000679359788 543628842 /nfs/dbraw/zinc/62/88/42/543628842.db2.gz ONRCKWOCZLIBMP-DZGCQCFKSA-N 1 1 293.382 3.440 20 30 CGEDMO FC(F)(F)Oc1ccc(C#CC[N@H+]2CC=CCC2)cc1 ZINC000679321514 543618094 /nfs/dbraw/zinc/61/80/94/543618094.db2.gz GIHMZQBWSZLRDB-UHFFFAOYSA-N 1 1 281.277 3.199 20 30 CGEDMO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CC=CCC2)cc1 ZINC000679321514 543618096 /nfs/dbraw/zinc/61/80/96/543618096.db2.gz GIHMZQBWSZLRDB-UHFFFAOYSA-N 1 1 281.277 3.199 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](OC)CC2)cc1 ZINC000680002652 543674639 /nfs/dbraw/zinc/67/46/39/543674639.db2.gz MCPGKDMYCVRKLY-MRXNPFEDSA-N 1 1 275.392 3.252 20 30 CGEDMO CCC#C[C@H](C)[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000681467113 543789410 /nfs/dbraw/zinc/78/94/10/543789410.db2.gz CONPCLPNSJDWIT-SUMWQHHRSA-N 1 1 285.366 3.040 20 30 CGEDMO N#CC1(CC[N@@H+]2CC[C@H](O)CC23CCC3)CCCCC1 ZINC000334969611 225378795 /nfs/dbraw/zinc/37/87/95/225378795.db2.gz WWWBHNAYEOTZTG-HNNXBMFYSA-N 1 1 276.424 3.230 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000682435511 543845068 /nfs/dbraw/zinc/84/50/68/543845068.db2.gz WIVMYLTWFSOPGL-UHFFFAOYSA-N 1 1 261.409 3.280 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](O)COc1ccc2ccccc2c1 ZINC000682435250 543845496 /nfs/dbraw/zinc/84/54/96/543845496.db2.gz OWVIMXSWPBNQQV-KRWDZBQOSA-N 1 1 285.387 3.087 20 30 CGEDMO COCC[N@@H+](CCC(C)(C)C#N)[C@@H]1CCC[C@@H]1C ZINC000347161779 226064368 /nfs/dbraw/zinc/06/43/68/226064368.db2.gz SEFXWIWABLASTN-UONOGXRCSA-N 1 1 252.402 3.063 20 30 CGEDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)CCC(C)(C)C#N ZINC000347179713 226070666 /nfs/dbraw/zinc/07/06/66/226070666.db2.gz ZNECBSLGFGUSDC-MRXNPFEDSA-N 1 1 274.408 3.116 20 30 CGEDMO C[C@@H]1CCC[C@H](CO)[N@H+]1CCC1(C#N)CCCCC1 ZINC000411397151 262691488 /nfs/dbraw/zinc/69/14/88/262691488.db2.gz HDGYADUBQCHSHC-HUUCEWRRSA-N 1 1 264.413 3.086 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)[C@@H](C)Cc1ccccc1C ZINC000683678547 543931536 /nfs/dbraw/zinc/93/15/36/543931536.db2.gz OTYJJYUILOXEQS-DOTOQJQBSA-N 1 1 261.409 3.185 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CC[C@@H](c2ccc(C)cc2C)C1 ZINC000684211723 543973715 /nfs/dbraw/zinc/97/37/15/543973715.db2.gz UMNABGLQJCPMEI-NVXWUHKLSA-N 1 1 259.393 3.030 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000683783063 543941936 /nfs/dbraw/zinc/94/19/36/543941936.db2.gz OPEJQSOTRJVSBA-NWDGAFQWSA-N 1 1 265.319 3.384 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000683783063 543941937 /nfs/dbraw/zinc/94/19/37/543941937.db2.gz OPEJQSOTRJVSBA-NWDGAFQWSA-N 1 1 265.319 3.384 20 30 CGEDMO C=CC[N@H+](CCCC1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000683889630 543950737 /nfs/dbraw/zinc/95/07/37/543950737.db2.gz ORDNUNSLLCUDJN-INIZCTEOSA-N 1 1 299.480 3.022 20 30 CGEDMO C=CC[N@@H+](CCCC1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000683889630 543950738 /nfs/dbraw/zinc/95/07/38/543950738.db2.gz ORDNUNSLLCUDJN-INIZCTEOSA-N 1 1 299.480 3.022 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000659939874 419040472 /nfs/dbraw/zinc/04/04/72/419040472.db2.gz CBXGTIHAGHFDRJ-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)C[C@@H](OC)C1CCC1 ZINC000660226508 419104714 /nfs/dbraw/zinc/10/47/14/419104714.db2.gz XTWWDMOCSOGCAY-MRXNPFEDSA-N 1 1 263.381 3.125 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CC[C@@H](c3ccc(C)cc3)C2)nn1 ZINC000653613072 419059682 /nfs/dbraw/zinc/05/96/82/419059682.db2.gz UDFSWVMPFWTIJB-QGZVFWFLSA-N 1 1 296.418 3.152 20 30 CGEDMO C=CC[C@@H]1[N@@H+](CCN2C[C@H](C)O[C@@H](C)C2)CCCC1(C)C ZINC000660422256 419142434 /nfs/dbraw/zinc/14/24/34/419142434.db2.gz CPAQATHTNFPOKR-ULQDDVLXSA-N 1 1 294.483 3.162 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC)c(Cl)c1)[C@@H](C)COC ZINC000661239513 419243466 /nfs/dbraw/zinc/24/34/66/419243466.db2.gz HNDCXCANTAKOEE-LBPRGKRZSA-N 1 1 283.799 3.372 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1OC(F)F)[C@@H](C)COC ZINC000661243815 419244673 /nfs/dbraw/zinc/24/46/73/419244673.db2.gz NVXXPPGVRTXBRC-LBPRGKRZSA-N 1 1 285.334 3.311 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCCCCC2)C1 ZINC000661378913 419255179 /nfs/dbraw/zinc/25/51/79/419255179.db2.gz OGTCVLRJJBDSBQ-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](CC[C@@H]2CCCCN2C)C1 ZINC000661378491 419255404 /nfs/dbraw/zinc/25/54/04/419255404.db2.gz HOIVLLDTUHMYOD-HOTGVXAUSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](CC[C@@H]2CCCCN2C)C1 ZINC000661378491 419255405 /nfs/dbraw/zinc/25/54/05/419255405.db2.gz HOIVLLDTUHMYOD-HOTGVXAUSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2C)C1 ZINC000661379433 419255518 /nfs/dbraw/zinc/25/55/18/419255518.db2.gz YLAIGHOLKXEKBC-OAHLLOKOSA-N 1 1 272.392 3.222 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000661385393 419257101 /nfs/dbraw/zinc/25/71/01/419257101.db2.gz OHFPZCYJMPSVBP-ZDUSSCGKSA-N 1 1 255.365 3.351 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2cnnn2-c2ccccc2)C1 ZINC000661385908 419257117 /nfs/dbraw/zinc/25/71/17/419257117.db2.gz QSOYWGPAFSSPOB-HNNXBMFYSA-N 1 1 282.391 3.055 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1cc(C)ccc1OC)C(C)(C)C ZINC000661754700 419294784 /nfs/dbraw/zinc/29/47/84/419294784.db2.gz BAXQJLKMHKJNTN-UHFFFAOYSA-N 1 1 290.407 3.229 20 30 CGEDMO C=CC[N@H+](C[C@@H](O)COc1cccc(C)c1)C(C)(C)C ZINC000661754924 419294861 /nfs/dbraw/zinc/29/48/61/419294861.db2.gz HHZKUDCLSSHYEY-OAHLLOKOSA-N 1 1 277.408 3.021 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1cc(C(C)(C)C)no1)C(C)(C)C ZINC000661755093 419294875 /nfs/dbraw/zinc/29/48/75/419294875.db2.gz JPSQFBAIGQFGHQ-UHFFFAOYSA-N 1 1 293.411 3.197 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1cc(C(C)(C)C)no1)C(C)(C)C ZINC000661755093 419294876 /nfs/dbraw/zinc/29/48/76/419294876.db2.gz JPSQFBAIGQFGHQ-UHFFFAOYSA-N 1 1 293.411 3.197 20 30 CGEDMO C=CC[N@H+](CCC(=O)Nc1ccc(OC)cc1)C(C)(C)C ZINC000661759681 419295813 /nfs/dbraw/zinc/29/58/13/419295813.db2.gz JNWMJSNCRIHBDO-UHFFFAOYSA-N 1 1 290.407 3.310 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)c1cc(C)n(C)c1C ZINC000662081795 419333188 /nfs/dbraw/zinc/33/31/88/419333188.db2.gz XUCSQJRFNFTXJH-GASCZTMLSA-N 1 1 272.392 3.008 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1cccc(C)c1 ZINC000662078679 419333525 /nfs/dbraw/zinc/33/35/25/419333525.db2.gz FTDSRQCOWDZKSZ-IYBDPMFKSA-N 1 1 270.376 3.117 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C(=O)N(C)C)c1 ZINC000662080731 419333968 /nfs/dbraw/zinc/33/39/68/419333968.db2.gz QFRYHXNWEBWYMN-CALCHBBNSA-N 1 1 284.403 3.071 20 30 CGEDMO CC(=O)c1ccc(C#N)c(NC[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000664142726 419841917 /nfs/dbraw/zinc/84/19/17/419841917.db2.gz MQDOMCZLEMEFFG-HNNXBMFYSA-N 1 1 285.391 3.046 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C(C)(C)C ZINC000521040078 260027700 /nfs/dbraw/zinc/02/77/00/260027700.db2.gz ZTJDTHJZQBSSEL-UHFFFAOYSA-N 1 1 268.307 3.390 20 30 CGEDMO COc1ccc(C[N@H+]2C[C@H](C)[C@@H](C)[C@H]2C)cc1C#N ZINC000399514006 269780036 /nfs/dbraw/zinc/78/00/36/269780036.db2.gz ADKVZNSNIBAFCV-YNEHKIRRSA-N 1 1 258.365 3.043 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000298336100 260150488 /nfs/dbraw/zinc/15/04/88/260150488.db2.gz QMXAADSNECHUKN-OAHLLOKOSA-N 1 1 257.333 3.001 20 30 CGEDMO C=C[C@H](C)[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1 ZINC000449184631 260284223 /nfs/dbraw/zinc/28/42/23/260284223.db2.gz FPAVAJUXEGHBAU-JKSUJKDBSA-N 1 1 272.436 3.246 20 30 CGEDMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCCSCC#N ZINC000080628181 260316947 /nfs/dbraw/zinc/31/69/47/260316947.db2.gz CGWDJNIEALPQKI-GDBMZVCRSA-N 1 1 290.432 3.095 20 30 CGEDMO COc1ccc(OCCC[N@@H+](CCC#N)CC2CC2)cc1 ZINC000081045053 260329381 /nfs/dbraw/zinc/32/93/81/260329381.db2.gz NXANYTMSAOSBMY-UHFFFAOYSA-N 1 1 288.391 3.090 20 30 CGEDMO COCC[N@@H+](Cc1ccco1)CC(C)(C)CCC#N ZINC000092562831 260496660 /nfs/dbraw/zinc/49/66/60/260496660.db2.gz KXEXAWKDFIVWJU-UHFFFAOYSA-N 1 1 264.369 3.058 20 30 CGEDMO COc1ccc(C[N@H+](CCC#N)CCC(C)C)cc1C#N ZINC000135119861 260917357 /nfs/dbraw/zinc/91/73/57/260917357.db2.gz SCRHLPYGNSVHFX-UHFFFAOYSA-N 1 1 285.391 3.329 20 30 CGEDMO COc1ccc(C[N@@H+](CCC#N)CCC(C)C)cc1C#N ZINC000135119861 260917358 /nfs/dbraw/zinc/91/73/58/260917358.db2.gz SCRHLPYGNSVHFX-UHFFFAOYSA-N 1 1 285.391 3.329 20 30 CGEDMO N#CCCCC[NH+]1CCN(c2ccc(F)cc2Cl)CC1 ZINC000153485871 261078926 /nfs/dbraw/zinc/07/89/26/261078926.db2.gz JOIOYSHWDXNCMM-UHFFFAOYSA-N 1 1 295.789 3.295 20 30 CGEDMO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H](C)c1cccnc1 ZINC000491167822 261357201 /nfs/dbraw/zinc/35/72/01/261357201.db2.gz ZSEFMJKJRSRXEY-AWEZNQCLSA-N 1 1 268.335 3.417 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)[C@@H](C)c1cccnc1 ZINC000491167822 261357202 /nfs/dbraw/zinc/35/72/02/261357202.db2.gz ZSEFMJKJRSRXEY-AWEZNQCLSA-N 1 1 268.335 3.417 20 30 CGEDMO CC[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1cccc([N+](=O)[O-])c1 ZINC000178673946 261755616 /nfs/dbraw/zinc/75/56/16/261755616.db2.gz DXINMOBLYXHGJA-SWLSCSKDSA-N 1 1 286.335 3.079 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1c(C2CC2)nc2sccn12 ZINC000184088607 262007805 /nfs/dbraw/zinc/00/78/05/262007805.db2.gz AJAOIZGHQKHGRF-LLVKDONJSA-N 1 1 274.393 3.055 20 30 CGEDMO C=CC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000111258924 262258684 /nfs/dbraw/zinc/25/86/84/262258684.db2.gz HQBGNPFMUAIQNN-UHFFFAOYSA-N 1 1 264.300 3.132 20 30 CGEDMO C=CCOc1ccc(CNC[C@H](C)C[NH+]2CCCC2)cc1 ZINC000057994111 262350605 /nfs/dbraw/zinc/35/06/05/262350605.db2.gz WBHVZVGMEAYAOA-INIZCTEOSA-N 1 1 288.435 3.073 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000496791925 262355766 /nfs/dbraw/zinc/35/57/66/262355766.db2.gz OVPQDBAEGFVHHP-UONOGXRCSA-N 1 1 295.427 3.010 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@](C)(F)C2)cc1OC ZINC000355357868 262364325 /nfs/dbraw/zinc/36/43/25/262364325.db2.gz VZUXYQLPWQQBOI-MRXNPFEDSA-N 1 1 279.355 3.194 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@@](C)(F)C2)cc1OC ZINC000355357868 262364326 /nfs/dbraw/zinc/36/43/26/262364326.db2.gz VZUXYQLPWQQBOI-MRXNPFEDSA-N 1 1 279.355 3.194 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCC[C@@H]1c1nnc(C)[nH]1 ZINC000338334361 262523017 /nfs/dbraw/zinc/52/30/17/262523017.db2.gz WJEQHTZFIJMSST-CQSZACIVSA-N 1 1 262.401 3.387 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000266538232 262917430 /nfs/dbraw/zinc/91/74/30/262917430.db2.gz PBHUZZUYFYALJD-DOTOQJQBSA-N 1 1 270.376 3.353 20 30 CGEDMO CC(C)(C#N)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000272008400 263001223 /nfs/dbraw/zinc/00/12/23/263001223.db2.gz JQARVKNCXALSFR-UHFFFAOYSA-N 1 1 287.363 3.499 20 30 CGEDMO CN(CCC(C)(C)C#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272050294 263001619 /nfs/dbraw/zinc/00/16/19/263001619.db2.gz UEJCHDACVSLBES-KRWDZBQOSA-N 1 1 285.435 3.133 20 30 CGEDMO C[N@H+](CCC(C)(C)C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272050294 263001620 /nfs/dbraw/zinc/00/16/20/263001620.db2.gz UEJCHDACVSLBES-KRWDZBQOSA-N 1 1 285.435 3.133 20 30 CGEDMO C[N@@H+](CCC(C)(C)C#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272050294 263001621 /nfs/dbraw/zinc/00/16/21/263001621.db2.gz UEJCHDACVSLBES-KRWDZBQOSA-N 1 1 285.435 3.133 20 30 CGEDMO CCC[C@]1(CO)CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000288779839 263105963 /nfs/dbraw/zinc/10/59/63/263105963.db2.gz KGHULRXRYJEQJA-KRWDZBQOSA-N 1 1 291.822 3.176 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)CC[C@H](O)c1ccccc1 ZINC000290358782 263116270 /nfs/dbraw/zinc/11/62/70/263116270.db2.gz QPLXZDMYKPEDKW-KRWDZBQOSA-N 1 1 274.408 3.372 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)CC[C@H](O)c1ccccc1 ZINC000290358782 263116271 /nfs/dbraw/zinc/11/62/71/263116271.db2.gz QPLXZDMYKPEDKW-KRWDZBQOSA-N 1 1 274.408 3.372 20 30 CGEDMO C=CCN(CC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000340371820 263120467 /nfs/dbraw/zinc/12/04/67/263120467.db2.gz QLCIMNAABWQDHH-KRWDZBQOSA-N 1 1 258.409 3.159 20 30 CGEDMO Cc1[nH+]cn(-c2ccc(NC(=O)CC(C)(C)C#N)cc2)c1C ZINC000291241194 263120907 /nfs/dbraw/zinc/12/09/07/263120907.db2.gz QQCLUIZHCROUCJ-UHFFFAOYSA-N 1 1 296.374 3.368 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000291881000 263126202 /nfs/dbraw/zinc/12/62/02/263126202.db2.gz QGJWLTUZUSWMHM-INIZCTEOSA-N 1 1 279.811 3.056 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000291881000 263126203 /nfs/dbraw/zinc/12/62/03/263126203.db2.gz QGJWLTUZUSWMHM-INIZCTEOSA-N 1 1 279.811 3.056 20 30 CGEDMO CC(C)c1ccc(C[N@@H+](C)CCOCCC#N)cc1 ZINC000293499129 263141981 /nfs/dbraw/zinc/14/19/81/263141981.db2.gz NPHNGOCQSCKAIL-UHFFFAOYSA-N 1 1 260.381 3.172 20 30 CGEDMO C[N@@H+](CCCOc1ccc(F)cc1)[C@H]1CC[C@@H](C#N)C1 ZINC000293610620 263144286 /nfs/dbraw/zinc/14/42/86/263144286.db2.gz VOXJLJUNQJHFJX-HIFRSBDPSA-N 1 1 276.355 3.219 20 30 CGEDMO C[N@H+](Cc1ccc(F)cc1F)[C@H]1CC[C@@H](C#N)C1 ZINC000293658178 263146582 /nfs/dbraw/zinc/14/65/82/263146582.db2.gz YLOWHCWQBDALQF-MFKMUULPSA-N 1 1 250.292 3.089 20 30 CGEDMO C[N@@H+](Cc1ccc(F)cc1F)[C@H]1CC[C@@H](C#N)C1 ZINC000293658178 263146583 /nfs/dbraw/zinc/14/65/83/263146583.db2.gz YLOWHCWQBDALQF-MFKMUULPSA-N 1 1 250.292 3.089 20 30 CGEDMO Cc1cc(C)cc(C2=CC[N@@H+](CCOCCC#N)CC2)c1 ZINC000293890480 263151710 /nfs/dbraw/zinc/15/17/10/263151710.db2.gz VBJSLEQNVVOOFR-UHFFFAOYSA-N 1 1 284.403 3.323 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000298305309 263217161 /nfs/dbraw/zinc/21/71/61/263217161.db2.gz YHFYUPHXDAUDTC-IAGOWNOFSA-N 1 1 254.377 3.409 20 30 CGEDMO C[C@@H]([NH2+]CCC#N)c1ccc(OCC2CC2)c(F)c1 ZINC000299102992 263230137 /nfs/dbraw/zinc/23/01/37/263230137.db2.gz UYJUPIMBFRSQEP-LLVKDONJSA-N 1 1 262.328 3.179 20 30 CGEDMO C[C@H](CCC#N)[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000299224237 263235619 /nfs/dbraw/zinc/23/56/19/263235619.db2.gz ICJLUNXHLIPHCT-MNOVXSKESA-N 1 1 288.326 3.219 20 30 CGEDMO COc1ccccc1[C@H]1CC[N@H+]([C@H](C)CCC#N)C1 ZINC000299277007 263237582 /nfs/dbraw/zinc/23/75/82/263237582.db2.gz MSCWVLPCAPIOIG-KGLIPLIRSA-N 1 1 258.365 3.177 20 30 CGEDMO C[C@H](CCC#N)[N@@H+]1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000299452758 263242278 /nfs/dbraw/zinc/24/22/78/263242278.db2.gz ZIDOXOYNOQFYSE-XJKCOSOUSA-N 1 1 276.355 3.280 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000299452758 263242279 /nfs/dbraw/zinc/24/22/79/263242279.db2.gz ZIDOXOYNOQFYSE-XJKCOSOUSA-N 1 1 276.355 3.280 20 30 CGEDMO C=CCC1(C[NH2+][C@H]2CCN(C)[C@H](C)C2)CCCC1 ZINC000453390523 263259945 /nfs/dbraw/zinc/25/99/45/263259945.db2.gz YEQCONWUOPMUHJ-CABCVRRESA-N 1 1 250.430 3.195 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000341096760 263321680 /nfs/dbraw/zinc/32/16/80/263321680.db2.gz AASAQHPTLNIANJ-JKSUJKDBSA-N 1 1 275.440 3.419 20 30 CGEDMO N#CCSCCC[N@@H+](CC(F)F)CC1CCC1 ZINC000341764613 263348917 /nfs/dbraw/zinc/34/89/17/263348917.db2.gz RSZFAOUGCHEBQX-UHFFFAOYSA-N 1 1 262.369 3.000 20 30 CGEDMO N#CCSCCC[N@H+](CC(F)F)CC1CCC1 ZINC000341764613 263348919 /nfs/dbraw/zinc/34/89/19/263348919.db2.gz RSZFAOUGCHEBQX-UHFFFAOYSA-N 1 1 262.369 3.000 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[NH2+][C@H]1CCC[C@H]1C#N ZINC000330862452 264056513 /nfs/dbraw/zinc/05/65/13/264056513.db2.gz VUOTYKCYYBXASB-BBRMVZONSA-N 1 1 267.376 3.270 20 30 CGEDMO COC(=O)c1cccc(C[N@@H+](C)[C@@H](C)C(C)(C)C)c1C#N ZINC000534490766 269989593 /nfs/dbraw/zinc/98/95/93/269989593.db2.gz NUQCLJRWSYYYBM-LBPRGKRZSA-N 1 1 288.391 3.211 20 30 CGEDMO C=CC[C@H](CC)NC(=O)[C@@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000356377966 266105471 /nfs/dbraw/zinc/10/54/71/266105471.db2.gz RNVCBQPCDODDAS-DLBZAZTESA-N 1 1 288.435 3.368 20 30 CGEDMO C=CC[N@@H+](Cc1nc2cc(F)ccc2n1CC)C1CC1 ZINC000357548868 266320232 /nfs/dbraw/zinc/32/02/32/266320232.db2.gz BURZJQYFVGOMLW-UHFFFAOYSA-N 1 1 273.355 3.346 20 30 CGEDMO C=CC[N@H+](Cc1nc2cc(F)ccc2n1CC)C1CC1 ZINC000357548868 266320234 /nfs/dbraw/zinc/32/02/34/266320234.db2.gz BURZJQYFVGOMLW-UHFFFAOYSA-N 1 1 273.355 3.346 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000357785850 266361141 /nfs/dbraw/zinc/36/11/41/266361141.db2.gz DPWRTYKHHMPFOF-HNNXBMFYSA-N 1 1 255.365 3.249 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)cc1 ZINC000368030169 267137949 /nfs/dbraw/zinc/13/79/49/267137949.db2.gz MGXRBNOAKNJRFV-IBGZPJMESA-N 1 1 276.383 3.128 20 30 CGEDMO C#CCC(C)(C)C(=O)Nc1cccc2c1C[N@H+](C1CC1)C2 ZINC000369939598 267278352 /nfs/dbraw/zinc/27/83/52/267278352.db2.gz LBFFYBOOKLAUOQ-UHFFFAOYSA-N 1 1 282.387 3.153 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H](N2CCCC2)C[C@@H]1C ZINC000370579397 267330050 /nfs/dbraw/zinc/33/00/50/267330050.db2.gz JWSKQNXLTKZDCJ-JKSUJKDBSA-N 1 1 250.430 3.291 20 30 CGEDMO C=CCCCCCN1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000370579397 267330052 /nfs/dbraw/zinc/33/00/52/267330052.db2.gz JWSKQNXLTKZDCJ-JKSUJKDBSA-N 1 1 250.430 3.291 20 30 CGEDMO C=C(C)C[N@@H+](CC)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000120137707 267385101 /nfs/dbraw/zinc/38/51/01/267385101.db2.gz GVIKSELQIVBRAD-INIZCTEOSA-N 1 1 290.382 3.043 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000120137707 267385107 /nfs/dbraw/zinc/38/51/07/267385107.db2.gz GVIKSELQIVBRAD-INIZCTEOSA-N 1 1 290.382 3.043 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCC(n2c[nH+]cc2C)CC1 ZINC000376941754 268031676 /nfs/dbraw/zinc/03/16/76/268031676.db2.gz SRAASBUGEVCSGU-UHFFFAOYSA-N 1 1 287.407 3.123 20 30 CGEDMO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ccn(C)n1 ZINC000334869717 274257558 /nfs/dbraw/zinc/25/75/58/274257558.db2.gz YRLYAVISHMEYPS-SJKOYZFVSA-N 1 1 280.375 3.020 20 30 CGEDMO C[C@@H]1CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459331980 274291069 /nfs/dbraw/zinc/29/10/69/274291069.db2.gz VDYHRYLIBNNJBB-GFCCVEGCSA-N 1 1 273.336 3.088 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459331980 274291073 /nfs/dbraw/zinc/29/10/73/274291073.db2.gz VDYHRYLIBNNJBB-GFCCVEGCSA-N 1 1 273.336 3.088 20 30 CGEDMO C#CC[C@H]([NH2+][C@H](C)c1nccn1CC)c1ccccc1 ZINC000296633907 275718747 /nfs/dbraw/zinc/71/87/47/275718747.db2.gz CJWHTSGPYAGAPE-ZBFHGGJFSA-N 1 1 267.376 3.318 20 30 CGEDMO CCC[N@@H+]1CCC[C@@H]1CN[C@H](CC)c1ccc(C#N)cc1 ZINC000353986181 276009115 /nfs/dbraw/zinc/00/91/15/276009115.db2.gz HJCUDICQSUBYEE-QZTJIDSGSA-N 1 1 285.435 3.473 20 30 CGEDMO CCC[N@H+]1CCC[C@@H]1CN[C@H](CC)c1ccc(C#N)cc1 ZINC000353986181 276009117 /nfs/dbraw/zinc/00/91/17/276009117.db2.gz HJCUDICQSUBYEE-QZTJIDSGSA-N 1 1 285.435 3.473 20 30 CGEDMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000356123735 276034210 /nfs/dbraw/zinc/03/42/10/276034210.db2.gz ODICXXOULPGKAK-WCQYABFASA-N 1 1 263.410 3.415 20 30 CGEDMO CCN1CC[C@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)[C@H](C)C1 ZINC000341707610 276231593 /nfs/dbraw/zinc/23/15/93/276231593.db2.gz NGQFEDXVEKQCEO-CCKFTAQKSA-N 1 1 297.446 3.256 20 30 CGEDMO C=C[C@@H]1CCCCN1c1cc[nH+]cc1Br ZINC000355681712 276917048 /nfs/dbraw/zinc/91/70/48/276917048.db2.gz JXIAWJGIWZOGKV-SNVBAGLBSA-N 1 1 267.170 3.389 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1F)[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000334531256 278306538 /nfs/dbraw/zinc/30/65/38/278306538.db2.gz QYZBSYRYLJGOLI-CXAGYDPISA-N 1 1 288.366 3.261 20 30 CGEDMO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)o2)c2ccccc2O1 ZINC000294920856 278921205 /nfs/dbraw/zinc/92/12/05/278921205.db2.gz AWOGBHPLPZKDQK-IAQYHMDHSA-N 1 1 268.316 3.153 20 30 CGEDMO COc1cc(C[N@H+]2CC(C)(C)[C@@H]2C(C)C)ccc1C#N ZINC000552072106 289159873 /nfs/dbraw/zinc/15/98/73/289159873.db2.gz VUUMIYXEEDRNID-INIZCTEOSA-N 1 1 272.392 3.433 20 30 CGEDMO N#CC1(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)CCC1 ZINC000336202945 303142385 /nfs/dbraw/zinc/14/23/85/303142385.db2.gz RRCPUYDESFHLRH-CHWSQXEVSA-N 1 1 250.411 3.040 20 30 CGEDMO C=CCCCCN1CCC([NH+]2CCCCC2)CC1 ZINC000563506699 328070635 /nfs/dbraw/zinc/07/06/35/328070635.db2.gz CBVGQSSTSWUQAF-UHFFFAOYSA-N 1 1 250.430 3.293 20 30 CGEDMO N#CCC[C@@H](C#N)C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000264909360 328162757 /nfs/dbraw/zinc/16/27/57/328162757.db2.gz YRPPQVNRARJIQJ-DZGCQCFKSA-N 1 1 271.339 3.059 20 30 CGEDMO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000264909360 328162759 /nfs/dbraw/zinc/16/27/59/328162759.db2.gz YRPPQVNRARJIQJ-DZGCQCFKSA-N 1 1 271.339 3.059 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C(C)(C)C1 ZINC000266912226 328170487 /nfs/dbraw/zinc/17/04/87/328170487.db2.gz DNSHVDMFXZKHHI-ZDUSSCGKSA-N 1 1 258.365 3.209 20 30 CGEDMO C[C@@H](c1ccsc1)[NH+]1CCN(CCC(C)(C)C#N)CC1 ZINC000274186577 328209158 /nfs/dbraw/zinc/20/91/58/328209158.db2.gz PXHMLYIXMQZRQB-AWEZNQCLSA-N 1 1 291.464 3.367 20 30 CGEDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000274951626 328213953 /nfs/dbraw/zinc/21/39/53/328213953.db2.gz HDLNTYWZOWZJFZ-BBRMVZONSA-N 1 1 258.365 3.209 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@@H]2CC[C@@H](C#N)C2)cc1C ZINC000278623621 328228729 /nfs/dbraw/zinc/22/87/29/328228729.db2.gz NOAGFWHRAJDEAI-UKRRQHHQSA-N 1 1 258.365 3.128 20 30 CGEDMO CC(=O)c1ccc(C[NH+]2CCC(C)(C#N)CC2)cc1 ZINC000294992632 328283989 /nfs/dbraw/zinc/28/39/89/328283989.db2.gz NGYDZYZJSPUADV-UHFFFAOYSA-N 1 1 256.349 3.015 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](CC)[C@@H](C)Cc1ccsc1 ZINC000187774670 328302970 /nfs/dbraw/zinc/30/29/70/328302970.db2.gz NBWWGAFBQCXVKU-DZGCQCFKSA-N 1 1 267.438 3.328 20 30 CGEDMO C[C@@H](N[C@@H](C)C[NH+]1CCC(C)CC1)c1cccc(C#N)c1 ZINC000565243689 322069839 /nfs/dbraw/zinc/06/98/39/322069839.db2.gz DUXXPVNMCRGJOQ-JKSUJKDBSA-N 1 1 285.435 3.329 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3ccncc3)C2)c(F)c1 ZINC000565400534 322076184 /nfs/dbraw/zinc/07/61/84/322076184.db2.gz JSRAMCAIHKBRCS-OAHLLOKOSA-N 1 1 281.334 3.082 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000565895330 322095680 /nfs/dbraw/zinc/09/56/80/322095680.db2.gz RTJWHPAKVJRTIP-NSHDSACASA-N 1 1 273.336 3.087 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccccc2)nc1 ZINC000569305266 322242441 /nfs/dbraw/zinc/24/24/41/322242441.db2.gz HJVWCHQTVLJUSI-KRWDZBQOSA-N 1 1 263.344 3.290 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](c3ccncc3)C2)c1 ZINC000570236956 322268459 /nfs/dbraw/zinc/26/84/59/322268459.db2.gz OLNYXZPBSUSJSJ-HNNXBMFYSA-N 1 1 281.334 3.082 20 30 CGEDMO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1cnc(C3CC3)o1)CC2 ZINC000572110637 322320288 /nfs/dbraw/zinc/32/02/88/322320288.db2.gz XAJJBZZQFSYHKU-MRXNPFEDSA-N 1 1 279.343 3.201 20 30 CGEDMO Cc1ccnc([C@H]2CC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)c1 ZINC000573016139 322366486 /nfs/dbraw/zinc/36/64/86/322366486.db2.gz IRFTTZZAPSHEAM-HNNXBMFYSA-N 1 1 295.361 3.390 20 30 CGEDMO Cc1nc(N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c(Cl)cc1C#N ZINC000573380711 322384755 /nfs/dbraw/zinc/38/47/55/322384755.db2.gz HYIXWENEORXHHL-QMTHXVAHSA-N 1 1 292.814 3.056 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H]1C[C@H]1C ZINC000584199489 327063151 /nfs/dbraw/zinc/06/31/51/327063151.db2.gz JZVDVYWDLGHVSG-GDBMZVCRSA-N 1 1 261.413 3.498 20 30 CGEDMO COc1ccc2cc(C[NH2+]C[C@@H](C#N)CCC#N)ccc2c1 ZINC000558482953 327097395 /nfs/dbraw/zinc/09/73/95/327097395.db2.gz RISPSMRTCDIWCJ-OAHLLOKOSA-N 1 1 293.370 3.382 20 30 CGEDMO C=CC[N@H+](CCCSCC#N)Cc1ccccc1F ZINC000074982089 327122833 /nfs/dbraw/zinc/12/28/33/327122833.db2.gz ICKKWNYQKQACOC-UHFFFAOYSA-N 1 1 278.396 3.461 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1ccc2ccccc2c1 ZINC000569449687 327179200 /nfs/dbraw/zinc/17/92/00/327179200.db2.gz OBEZVJIUWMEWGH-HNNXBMFYSA-N 1 1 263.344 3.373 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000531101134 327246486 /nfs/dbraw/zinc/24/64/86/327246486.db2.gz GKRCXVXJTCDRMH-UHFFFAOYSA-N 1 1 280.799 3.485 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCCO[C@H](C(C)C)C1 ZINC000560638412 327332720 /nfs/dbraw/zinc/33/27/20/327332720.db2.gz KSRLJJDQCXDMIG-SFHVURJKSA-N 1 1 289.419 3.498 20 30 CGEDMO C=C1CC[NH+](CC(=O)N[C@H](C)c2ccccc2Cl)CC1 ZINC000519443796 328673680 /nfs/dbraw/zinc/67/36/80/328673680.db2.gz FNJQDJCFSNULCB-CYBMUJFWSA-N 1 1 292.810 3.169 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000305100965 329004337 /nfs/dbraw/zinc/00/43/37/329004337.db2.gz XTTABPSQCAULJD-RCCFBDPRSA-N 1 1 284.403 3.085 20 30 CGEDMO CCCCCCCC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000377426199 329014845 /nfs/dbraw/zinc/01/48/45/329014845.db2.gz NGMNSARVKWQEOA-GJZGRUSLSA-N 1 1 266.429 3.090 20 30 CGEDMO CC(C)[C@@]1(CO)CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000377660437 329023391 /nfs/dbraw/zinc/02/33/91/329023391.db2.gz WUVWTZNLHGPPBH-INIZCTEOSA-N 1 1 266.429 3.047 20 30 CGEDMO C=C[C@H](CC(=O)N1CCC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000378276874 329044912 /nfs/dbraw/zinc/04/49/12/329044912.db2.gz XOMNCWMLJHRUQV-SJLPKXTDSA-N 1 1 298.430 3.043 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCc2ccccc2[C@@H]1C ZINC000170955931 329072771 /nfs/dbraw/zinc/07/27/71/329072771.db2.gz UPOODCGOKCNHJG-HNNXBMFYSA-N 1 1 286.419 3.030 20 30 CGEDMO Cc1ccnc([C@@H]2CC[N@@H+](CCC(C)(C)C#N)C2)c1 ZINC000584358903 329103653 /nfs/dbraw/zinc/10/36/53/329103653.db2.gz KQEZOIPHKRSKGY-CQSZACIVSA-N 1 1 257.381 3.119 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+]C[C@H](c1ccccc1)C(F)(F)F ZINC000582602161 329114280 /nfs/dbraw/zinc/11/42/80/329114280.db2.gz MCTBAAAGGGDQAN-TZMCWYRMSA-N 1 1 295.308 3.366 20 30 CGEDMO N#Cc1c(NC[C@@H]2CC[N@H+](C3CC3)C2)cccc1C(F)F ZINC000582796618 329208433 /nfs/dbraw/zinc/20/84/33/329208433.db2.gz UWMPCIWDCOZPAG-NSHDSACASA-N 1 1 291.345 3.392 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCSC[C@@H]2C)c1 ZINC000179662827 329211053 /nfs/dbraw/zinc/21/10/53/329211053.db2.gz JDRDFRWHEWICBY-ZDUSSCGKSA-N 1 1 263.406 3.189 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1nc2ccccc2n1CCC ZINC000181049703 329225537 /nfs/dbraw/zinc/22/55/37/329225537.db2.gz XKQGNAHNIMQMNA-UHFFFAOYSA-N 1 1 257.381 3.454 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1nc2ccccc2n1CCC ZINC000181049703 329225539 /nfs/dbraw/zinc/22/55/39/329225539.db2.gz XKQGNAHNIMQMNA-UHFFFAOYSA-N 1 1 257.381 3.454 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1nnc(-c2ccccc2Cl)o1 ZINC000181313017 329231015 /nfs/dbraw/zinc/23/10/15/329231015.db2.gz BKTDDUFSHHAMQK-UHFFFAOYSA-N 1 1 277.755 3.398 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1nnc(-c2ccccc2Cl)o1 ZINC000181313017 329231016 /nfs/dbraw/zinc/23/10/16/329231016.db2.gz BKTDDUFSHHAMQK-UHFFFAOYSA-N 1 1 277.755 3.398 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)C[C@H]1CC[C@@H](C)O1 ZINC000190304889 329394454 /nfs/dbraw/zinc/39/44/54/329394454.db2.gz RTRBXSCAEUNPMI-CHWSQXEVSA-N 1 1 251.395 3.304 20 30 CGEDMO N#CCCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000399374839 329451905 /nfs/dbraw/zinc/45/19/05/329451905.db2.gz WTEMRDBRUSKYNG-UHFFFAOYSA-N 1 1 291.326 3.250 20 30 CGEDMO C=CC[NH+]1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000248033135 329887130 /nfs/dbraw/zinc/88/71/30/329887130.db2.gz YBVQREZGPXBSMV-UHFFFAOYSA-N 1 1 284.325 3.009 20 30 CGEDMO C=CCCCCC[N@@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000432822109 330044596 /nfs/dbraw/zinc/04/45/96/330044596.db2.gz FJXODYAKOJULSL-UHFFFAOYSA-N 1 1 264.417 3.280 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1nnc(C(C)(C)C)[nH]1 ZINC000432822109 330044597 /nfs/dbraw/zinc/04/45/97/330044597.db2.gz FJXODYAKOJULSL-UHFFFAOYSA-N 1 1 264.417 3.280 20 30 CGEDMO C[C@H]1C[N@H+](CCC(C)(C)C#N)C[C@@H](c2ccccc2)O1 ZINC000265971307 330063519 /nfs/dbraw/zinc/06/35/19/330063519.db2.gz BIPKMCFZKPRONX-HOCLYGCPSA-N 1 1 272.392 3.388 20 30 CGEDMO C[C@H]1C[N@@H+](CCC(C)(C)C#N)C[C@@H](c2ccccc2)O1 ZINC000265971307 330063520 /nfs/dbraw/zinc/06/35/20/330063520.db2.gz BIPKMCFZKPRONX-HOCLYGCPSA-N 1 1 272.392 3.388 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)Cc1cc2ccccc2o1 ZINC000268520351 330065949 /nfs/dbraw/zinc/06/59/49/330065949.db2.gz ZYKMIIVWCNXOFW-AWEZNQCLSA-N 1 1 259.349 3.192 20 30 CGEDMO C=C1CC[NH+](Cc2cc(OC)c(OCC)c(OC)c2)CC1 ZINC000271164191 330077998 /nfs/dbraw/zinc/07/79/98/330077998.db2.gz MQLLVQSQHDVANK-UHFFFAOYSA-N 1 1 291.391 3.255 20 30 CGEDMO C=CCn1cc(C[NH2+][C@H]2CCCc3c(C)ccc(C)c32)nn1 ZINC000424296451 330336112 /nfs/dbraw/zinc/33/61/12/330336112.db2.gz OOCRDENZITXBBG-KRWDZBQOSA-N 1 1 296.418 3.248 20 30 CGEDMO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000424318598 330339844 /nfs/dbraw/zinc/33/98/44/330339844.db2.gz DAJBXPMWTXSQOB-QXCFHYIPSA-N 1 1 297.446 3.179 20 30 CGEDMO N#CCCCC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543790 331033520 /nfs/dbraw/zinc/03/35/20/331033520.db2.gz CTPFZMMDHKLGMS-HNNXBMFYSA-N 1 1 287.363 3.468 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCOCC23CCCCC3)cc1 ZINC000451810891 331043288 /nfs/dbraw/zinc/04/32/88/331043288.db2.gz DOTCGLOPOXGVFR-UHFFFAOYSA-N 1 1 284.403 3.288 20 30 CGEDMO CO[C@H]1C[C@@H]([N@@H+](C)CC#Cc2ccc(F)cc2)C12CCC2 ZINC000451834125 331044206 /nfs/dbraw/zinc/04/42/06/331044206.db2.gz ADSUKGVKPHUINK-SJORKVTESA-N 1 1 287.378 3.067 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC3(CCC3)[C@H]2c2ccco2)C1 ZINC000451855891 331044968 /nfs/dbraw/zinc/04/49/68/331044968.db2.gz OXLRMWXWONHUPX-UMVBOHGHSA-N 1 1 256.349 3.499 20 30 CGEDMO C[C@H]1CCC(C)(C)[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000452014940 331050531 /nfs/dbraw/zinc/05/05/31/331050531.db2.gz UVCWFDBIEDNCMB-HNNXBMFYSA-N 1 1 299.418 3.196 20 30 CGEDMO C=C(C)CCNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000454896728 331156076 /nfs/dbraw/zinc/15/60/76/331156076.db2.gz IWEDCGZRBVHLCI-MRXNPFEDSA-N 1 1 293.455 3.049 20 30 CGEDMO C=CCC1(NC(=O)[C@H]2CCCc3[nH+]ccn32)CCCCC1 ZINC000456369550 331191346 /nfs/dbraw/zinc/19/13/46/331191346.db2.gz QMOUBYHSPLMFST-CQSZACIVSA-N 1 1 287.407 3.156 20 30 CGEDMO C=CCC1(NC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CCCCC1 ZINC000458440739 331251400 /nfs/dbraw/zinc/25/14/00/331251400.db2.gz MYJQVNUKDXFEHB-CABCVRRESA-N 1 1 293.455 3.047 20 30 CGEDMO N#CCSCCC[N@H+]1CCc2cccc(Cl)c2C1 ZINC000459693549 331294647 /nfs/dbraw/zinc/29/46/47/331294647.db2.gz WPZGUOVHQUCAOX-UHFFFAOYSA-N 1 1 280.824 3.345 20 30 CGEDMO CC#CCC[N@H+]1CCSC[C@@H]1c1ccc(C)cc1 ZINC000462310813 331319037 /nfs/dbraw/zinc/31/90/37/331319037.db2.gz HKOJGYYPTOVNCG-MRXNPFEDSA-N 1 1 259.418 3.498 20 30 CGEDMO CC#CCC[N@@H+](C)CCOc1cccc(Cl)c1 ZINC000462315842 331319191 /nfs/dbraw/zinc/31/91/91/331319191.db2.gz MZXWKFQXIJSDBM-UHFFFAOYSA-N 1 1 251.757 3.064 20 30 CGEDMO CC#CCC[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000462313422 331319233 /nfs/dbraw/zinc/31/92/33/331319233.db2.gz MOZIZIYNVJTUSF-UHFFFAOYSA-N 1 1 271.282 3.430 20 30 CGEDMO CC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C[C@H](C)OC ZINC000463426439 331347539 /nfs/dbraw/zinc/34/75/39/331347539.db2.gz ALCRVMQFUKAIBX-ZDUSSCGKSA-N 1 1 299.336 3.414 20 30 CGEDMO C=CCOc1ccc(CN2CC[N@@H+](C)[C@H](C(C)C)C2)cc1 ZINC000488556726 332017033 /nfs/dbraw/zinc/01/70/33/332017033.db2.gz JYTVUFGRXIJMGB-SFHVURJKSA-N 1 1 288.435 3.023 20 30 CGEDMO C=CCCCCC[N@H+]([C@H](C)C(=O)OC)C1CCC1 ZINC000489049250 332039335 /nfs/dbraw/zinc/03/93/35/332039335.db2.gz XZXYMWVIAGWQJD-CYBMUJFWSA-N 1 1 253.386 3.149 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C)cc1C ZINC000489449103 332053033 /nfs/dbraw/zinc/05/30/33/332053033.db2.gz NLFPTGARSFBSSY-HNNXBMFYSA-N 1 1 272.392 3.282 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(C)cc1C ZINC000489449103 332053035 /nfs/dbraw/zinc/05/30/35/332053035.db2.gz NLFPTGARSFBSSY-HNNXBMFYSA-N 1 1 272.392 3.282 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N[C@H]1CCCc2ccccc21 ZINC000489446705 332053135 /nfs/dbraw/zinc/05/31/35/332053135.db2.gz IQKAYRLNLVAEIL-AEFFLSMTSA-N 1 1 298.430 3.221 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)N[C@H]1CCCc2ccccc21 ZINC000489446705 332053136 /nfs/dbraw/zinc/05/31/36/332053136.db2.gz IQKAYRLNLVAEIL-AEFFLSMTSA-N 1 1 298.430 3.221 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1c(C)cccc1C ZINC000489488072 332055502 /nfs/dbraw/zinc/05/55/02/332055502.db2.gz VYZAJRSTVNVRQX-IAGOWNOFSA-N 1 1 289.419 3.084 20 30 CGEDMO C#CC[N@@H+](Cc1conc1C)[C@H]1CCc2ccccc21 ZINC000491125039 332153247 /nfs/dbraw/zinc/15/32/47/332153247.db2.gz ARJQQDQHDRHNKE-KRWDZBQOSA-N 1 1 266.344 3.106 20 30 CGEDMO C#CC[N@H+](Cc1conc1C)[C@H]1CCc2ccccc21 ZINC000491125039 332153248 /nfs/dbraw/zinc/15/32/48/332153248.db2.gz ARJQQDQHDRHNKE-KRWDZBQOSA-N 1 1 266.344 3.106 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1c(C)nc2scc(C3CC3)n12 ZINC000491296025 332183922 /nfs/dbraw/zinc/18/39/22/332183922.db2.gz KKRQOYJFYDCMKS-JTQLQIEISA-N 1 1 273.405 3.035 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1c(C)nc2scc(C3CC3)n12 ZINC000491296025 332183924 /nfs/dbraw/zinc/18/39/24/332183924.db2.gz KKRQOYJFYDCMKS-JTQLQIEISA-N 1 1 273.405 3.035 20 30 CGEDMO C#CC[N@@H+](Cc1cncn1CC)[C@H]1CCc2ccccc21 ZINC000491553805 332236295 /nfs/dbraw/zinc/23/62/95/332236295.db2.gz CTNVLIJRNVPVRV-SFHVURJKSA-N 1 1 279.387 3.026 20 30 CGEDMO C#CC[N@H+](Cc1cncn1CC)[C@H]1CCc2ccccc21 ZINC000491553805 332236296 /nfs/dbraw/zinc/23/62/96/332236296.db2.gz CTNVLIJRNVPVRV-SFHVURJKSA-N 1 1 279.387 3.026 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000491557320 332238314 /nfs/dbraw/zinc/23/83/14/332238314.db2.gz IYLARBFSDWTFMQ-CQSZACIVSA-N 1 1 282.428 3.189 20 30 CGEDMO C#C[C@H]([NH2+]Cc1ccc(C#N)c(C)c1)c1ccc(F)cc1 ZINC000491642583 332261814 /nfs/dbraw/zinc/26/18/14/332261814.db2.gz XQLRUHGLWWBZGZ-SFHVURJKSA-N 1 1 278.330 3.470 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000491701943 332296162 /nfs/dbraw/zinc/29/61/62/332296162.db2.gz XKAABESBBSIAQJ-QGZVFWFLSA-N 1 1 264.303 3.161 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000185262796 333137866 /nfs/dbraw/zinc/13/78/66/333137866.db2.gz NCNSGVHQUZRUGV-XUWVNRHRSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCCCC[N@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000564163763 333181745 /nfs/dbraw/zinc/18/17/45/333181745.db2.gz PNQYKAWARNPSDW-UHFFFAOYSA-N 1 1 264.344 3.052 20 30 CGEDMO CO[C@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)CC[C@@H]1C ZINC000189274773 333188913 /nfs/dbraw/zinc/18/89/13/333188913.db2.gz QKCSCERUVWEANK-BBRMVZONSA-N 1 1 277.795 3.048 20 30 CGEDMO CC#CCC[N@@H+]1CCO[C@@H](c2ccc(CC)cc2)C1 ZINC000190285697 333205286 /nfs/dbraw/zinc/20/52/86/333205286.db2.gz BLDQDDOZOPVRDL-QGZVFWFLSA-N 1 1 257.377 3.036 20 30 CGEDMO CC#CCC[N@H+]1CCO[C@@H](c2ccc(CC)cc2)C1 ZINC000190285697 333205288 /nfs/dbraw/zinc/20/52/88/333205288.db2.gz BLDQDDOZOPVRDL-QGZVFWFLSA-N 1 1 257.377 3.036 20 30 CGEDMO C[N@H+](CC#Cc1ccccc1)CCOc1ccccc1 ZINC000191904299 333227274 /nfs/dbraw/zinc/22/72/74/333227274.db2.gz KSXRDGRKFCVFJD-UHFFFAOYSA-N 1 1 265.356 3.049 20 30 CGEDMO C[C@@H](CCO)[N@@H+](CC#Cc1ccccc1)Cc1ccccc1 ZINC000192145006 333230903 /nfs/dbraw/zinc/23/09/03/333230903.db2.gz CQHZKZYBEKCDOX-SFHVURJKSA-N 1 1 293.410 3.311 20 30 CGEDMO C=CCCCCC[N@H+]1CCCN(c2nccs2)CC1 ZINC000193317976 333247881 /nfs/dbraw/zinc/24/78/81/333247881.db2.gz MMTSWUNUFZLEGK-UHFFFAOYSA-N 1 1 279.453 3.402 20 30 CGEDMO C=CC[N@H+](CCOCC(F)(F)F)Cc1ccccc1 ZINC000194307009 333268731 /nfs/dbraw/zinc/26/87/31/333268731.db2.gz YOWVEVOVMOKEEF-UHFFFAOYSA-N 1 1 273.298 3.254 20 30 CGEDMO C=CCC[C@@H]([NH2+]Cc1nnnn1CCCC)c1ccccc1 ZINC000539358745 333667351 /nfs/dbraw/zinc/66/73/51/333667351.db2.gz SVHFPYJGFVVZMC-MRXNPFEDSA-N 1 1 299.422 3.270 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000134059063 334079184 /nfs/dbraw/zinc/07/91/84/334079184.db2.gz HXZWDUWSCIDVAE-UONOGXRCSA-N 1 1 282.428 3.188 20 30 CGEDMO C=C(C)C[N@@H+](CCCO)Cc1cccc(Cl)c1 ZINC000134279432 334086840 /nfs/dbraw/zinc/08/68/40/334086840.db2.gz LQGTWPPLAMIVME-UHFFFAOYSA-N 1 1 253.773 3.101 20 30 CGEDMO C[N@H+](CC#Cc1ccccc1Cl)C[C@@H]1CCCCO1 ZINC000135001194 334111458 /nfs/dbraw/zinc/11/14/58/334111458.db2.gz XKOHHHHZONWHAA-HNNXBMFYSA-N 1 1 277.795 3.192 20 30 CGEDMO C[N@@H+](CC#Cc1ccccc1Cl)C[C@@H]1CCCCO1 ZINC000135001194 334111460 /nfs/dbraw/zinc/11/14/60/334111460.db2.gz XKOHHHHZONWHAA-HNNXBMFYSA-N 1 1 277.795 3.192 20 30 CGEDMO C=CCOCC[N@H+](C)CCc1ccc(Br)cc1 ZINC000549426782 334193708 /nfs/dbraw/zinc/19/37/08/334193708.db2.gz YJTCUFMAJATPII-UHFFFAOYSA-N 1 1 298.224 3.126 20 30 CGEDMO C=CCOCC[N@H+]1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000549860977 334206733 /nfs/dbraw/zinc/20/67/33/334206733.db2.gz UTQSXEPKUOALKK-XJKSGUPXSA-N 1 1 263.356 3.411 20 30 CGEDMO C=CCC(C)(C)C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21 ZINC000550857466 334230449 /nfs/dbraw/zinc/23/04/49/334230449.db2.gz TYPHFBORXQOQFP-RRFJBIMHSA-N 1 1 250.430 3.051 20 30 CGEDMO C=CCC(C)(C)C[NH2+][C@H]1CCN(CCCOCC)C[C@@H]1C ZINC000551241899 334242602 /nfs/dbraw/zinc/24/26/02/334242602.db2.gz XHMLNSCQRYAPHM-IRXDYDNUSA-N 1 1 296.499 3.315 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)[C@@H](C)CO1 ZINC000246856797 334270739 /nfs/dbraw/zinc/27/07/39/334270739.db2.gz KYYMXVNNAHIQGZ-UONOGXRCSA-N 1 1 272.392 3.097 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@@H](C)CO1 ZINC000246856797 334270740 /nfs/dbraw/zinc/27/07/40/334270740.db2.gz KYYMXVNNAHIQGZ-UONOGXRCSA-N 1 1 272.392 3.097 20 30 CGEDMO C=CCCCN(C)C(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000566412463 334646782 /nfs/dbraw/zinc/64/67/82/334646782.db2.gz GGFVJHPFOPZNDQ-HNNXBMFYSA-N 1 1 294.826 3.367 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cn(-c2ccccc2)nc1C ZINC000158121073 334792730 /nfs/dbraw/zinc/79/27/30/334792730.db2.gz WNNMHKJYWSQPTP-UHFFFAOYSA-N 1 1 267.376 3.355 20 30 CGEDMO CCN(CC)[C@H](C[NH2+]Cc1ccc(C#N)s1)CC(C)C ZINC000176946024 335342645 /nfs/dbraw/zinc/34/26/45/335342645.db2.gz PBBMDDWXTAAVSA-AWEZNQCLSA-N 1 1 293.480 3.466 20 30 CGEDMO CCN(CC)[C@@H](C[NH2+]Cc1ccc(C#N)s1)CC(C)C ZINC000176946036 335342695 /nfs/dbraw/zinc/34/26/95/335342695.db2.gz PBBMDDWXTAAVSA-CQSZACIVSA-N 1 1 293.480 3.466 20 30 CGEDMO CC(C)(C)OCC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000194957249 336041289 /nfs/dbraw/zinc/04/12/89/336041289.db2.gz USDHYORSFAAKRC-UHFFFAOYSA-N 1 1 272.392 3.338 20 30 CGEDMO C=C(C)C[N@@H+](CC)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000194996083 336042371 /nfs/dbraw/zinc/04/23/71/336042371.db2.gz YHTNMFCDQFLOIH-CYBMUJFWSA-N 1 1 281.421 3.049 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000194996083 336042372 /nfs/dbraw/zinc/04/23/72/336042372.db2.gz YHTNMFCDQFLOIH-CYBMUJFWSA-N 1 1 281.421 3.049 20 30 CGEDMO CCCC[N@@H+](CCCO)[C@H](C)c1ccc(C#N)cc1 ZINC000195006748 336042642 /nfs/dbraw/zinc/04/26/42/336042642.db2.gz KELGBDYBKQVAPK-CQSZACIVSA-N 1 1 260.381 3.104 20 30 CGEDMO CC[C@H](C)[C@H](C)[N@@H+](CC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000581421062 336074473 /nfs/dbraw/zinc/07/44/73/336074473.db2.gz JLFSRABOHGGSAU-KBPBESRZSA-N 1 1 299.418 3.396 20 30 CGEDMO CCCC[C@@H](C)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000382294382 336085400 /nfs/dbraw/zinc/08/54/00/336085400.db2.gz VULKGCYVFDJOPP-CQSZACIVSA-N 1 1 260.381 3.448 20 30 CGEDMO C=CCCCC[N@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000581707667 336132388 /nfs/dbraw/zinc/13/23/88/336132388.db2.gz UDXXKUJDRJUHNC-UHFFFAOYSA-N 1 1 272.392 3.106 20 30 CGEDMO C[C@H](C[N@H+](C)Cc1cccc(F)c1C#N)c1nccs1 ZINC000428327938 534022607 /nfs/dbraw/zinc/02/26/07/534022607.db2.gz WJMKNTBZIVZBGI-LLVKDONJSA-N 1 1 289.379 3.389 20 30 CGEDMO C[C@H](C[N@@H+](C)Cc1cccc(F)c1C#N)c1nccs1 ZINC000428327938 534022613 /nfs/dbraw/zinc/02/26/13/534022613.db2.gz WJMKNTBZIVZBGI-LLVKDONJSA-N 1 1 289.379 3.389 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CCSC1 ZINC000425366298 534082113 /nfs/dbraw/zinc/08/21/13/534082113.db2.gz PEJSAWSYVSKIGW-JSGCOSHPSA-N 1 1 260.406 3.304 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCc1cccnc1 ZINC000425530383 534082187 /nfs/dbraw/zinc/08/21/87/534082187.db2.gz FCZIDAXUDWDRQS-AWEZNQCLSA-N 1 1 265.360 3.189 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(C#N)cc2)cc1O ZINC000080963824 524010010 /nfs/dbraw/zinc/01/00/10/524010010.db2.gz GYULESGPAYEQGW-ZDUSSCGKSA-N 1 1 296.370 3.465 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1ccccc1[N+](=O)[O-] ZINC000352721729 526326519 /nfs/dbraw/zinc/32/65/19/526326519.db2.gz WTRPOCBPGNTZPK-UHFFFAOYSA-N 1 1 286.331 3.419 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(C)cn1 ZINC000352701091 526327021 /nfs/dbraw/zinc/32/70/21/526327021.db2.gz DWIMWAPRBGDDDJ-UHFFFAOYSA-N 1 1 256.349 3.214 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1ccccc1C#N ZINC000352700844 526327050 /nfs/dbraw/zinc/32/70/50/526327050.db2.gz YBHVQHAJPRGUHP-UHFFFAOYSA-N 1 1 266.344 3.382 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1ccccc1C#N ZINC000352700844 526327053 /nfs/dbraw/zinc/32/70/53/526327053.db2.gz YBHVQHAJPRGUHP-UHFFFAOYSA-N 1 1 266.344 3.382 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H](C)CC ZINC000352799825 526559565 /nfs/dbraw/zinc/55/95/65/526559565.db2.gz MXKFYDOBAMJUOQ-CYBMUJFWSA-N 1 1 251.370 3.196 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](C)C[C@H]2CCCCO2)c1 ZINC000352675885 526896878 /nfs/dbraw/zinc/89/68/78/526896878.db2.gz GCMSYBVOPGWMNG-QGZVFWFLSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CCC(C)(C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000352526318 527010652 /nfs/dbraw/zinc/01/06/52/527010652.db2.gz MMTXLKOSXGGSMD-OAHLLOKOSA-N 1 1 274.408 3.008 20 30 CGEDMO C=CCC1(C(=O)N2CC[N@H+](C)CC[C@@H]2C)CCCCC1 ZINC000334749038 527043376 /nfs/dbraw/zinc/04/33/76/527043376.db2.gz GVQODOKDIPDBEC-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[C@H](CC)NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000347703372 527151274 /nfs/dbraw/zinc/15/12/74/527151274.db2.gz MZESELRJSSUSNY-CVEARBPZSA-N 1 1 295.471 3.152 20 30 CGEDMO CC(C)C[N@@H+](CCC[C@@H](C)O)Cc1ccc(C#N)cc1 ZINC000354895180 527939096 /nfs/dbraw/zinc/93/90/96/527939096.db2.gz PJOCPVPZIRBIBH-OAHLLOKOSA-N 1 1 274.408 3.177 20 30 CGEDMO CCC(CC)C[N@H+](CCC#N)CCOC1CCC1 ZINC000347047893 528750106 /nfs/dbraw/zinc/75/01/06/528750106.db2.gz HHUXUKBRZDFUSR-UHFFFAOYSA-N 1 1 252.402 3.207 20 30 CGEDMO CC1(C)CCC[N@H+](CC(=O)Nc2sccc2C#N)CC1 ZINC000127006139 528933640 /nfs/dbraw/zinc/93/36/40/528933640.db2.gz ZRUARGNYGVAKDM-UHFFFAOYSA-N 1 1 291.420 3.070 20 30 CGEDMO CC1(C)CCC[N@@H+](CC(=O)Nc2sccc2C#N)CC1 ZINC000127006139 528933643 /nfs/dbraw/zinc/93/36/43/528933643.db2.gz ZRUARGNYGVAKDM-UHFFFAOYSA-N 1 1 291.420 3.070 20 30 CGEDMO CCCO[C@H]1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000192015620 535240818 /nfs/dbraw/zinc/24/08/18/535240818.db2.gz MQLPIDZXPAGGSY-SFHVURJKSA-N 1 1 271.404 3.319 20 30 CGEDMO CC[C@@H](CSC)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000091097305 535766628 /nfs/dbraw/zinc/76/66/28/535766628.db2.gz LGMCMVKJMDFMRR-ZDUSSCGKSA-N 1 1 266.385 3.271 20 30 CGEDMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000124611441 536092670 /nfs/dbraw/zinc/09/26/70/536092670.db2.gz JLLRRFVEUQJWDN-DOMZBBRYSA-N 1 1 258.365 3.330 20 30 CGEDMO C[N@@H+](CCOc1cccc(C#N)c1)C[C@H]1CC=CCC1 ZINC000513472370 536400695 /nfs/dbraw/zinc/40/06/95/536400695.db2.gz DFPBXIQOOLTORK-HNNXBMFYSA-N 1 1 270.376 3.225 20 30 CGEDMO C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C1CC(C)(C)C1 ZINC000459744475 536486705 /nfs/dbraw/zinc/48/67/05/536486705.db2.gz RMTXDPGFVJWBNI-UHFFFAOYSA-N 1 1 296.374 3.229 20 30 CGEDMO C[C@H]1CC(=NN2CC[NH+](C)CC2)C[C@@H](c2ccccc2)C1 ZINC000749853295 571727473 /nfs/dbraw/zinc/72/74/73/571727473.db2.gz JIUKGYXKZUDBOS-WBVHZDCISA-N 1 1 285.435 3.194 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCc2ccc(O)cc2CC1 ZINC000728570220 571811468 /nfs/dbraw/zinc/81/14/68/571811468.db2.gz YRPMOQSWAIYBLF-UHFFFAOYSA-N 1 1 296.345 3.004 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000728570220 571811471 /nfs/dbraw/zinc/81/14/71/571811471.db2.gz YRPMOQSWAIYBLF-UHFFFAOYSA-N 1 1 296.345 3.004 20 30 CGEDMO C#Cc1cccc(NC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000730897993 572383164 /nfs/dbraw/zinc/38/31/64/572383164.db2.gz UHFUTJQYGMWGIA-GASCZTMLSA-N 1 1 299.418 3.052 20 30 CGEDMO COc1ccc([C@H](C)[NH2+]Cc2ccccc2C#N)cc1 ZINC000203772273 572458580 /nfs/dbraw/zinc/45/85/80/572458580.db2.gz DYDUVUFRDGEODG-ZDUSSCGKSA-N 1 1 266.344 3.418 20 30 CGEDMO C=C(C)COC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000741326495 572493457 /nfs/dbraw/zinc/49/34/57/572493457.db2.gz LSWPLMVFLZBZNX-OAHLLOKOSA-N 1 1 291.366 3.157 20 30 CGEDMO N#Cc1ccc(F)c(C[NH2+]Cc2cc(F)c(F)c(F)c2)c1 ZINC000742382054 572572712 /nfs/dbraw/zinc/57/27/12/572572712.db2.gz ZLXFHTRQRUZDTJ-UHFFFAOYSA-N 1 1 294.251 3.404 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)c1ccccc1C ZINC000741781839 572614590 /nfs/dbraw/zinc/61/45/90/572614590.db2.gz QFDQDXQVXQVEFV-LJQANCHMSA-N 1 1 297.373 3.303 20 30 CGEDMO C=CCCC[N@H+](C)CN1C(=O)C[C@@H]1c1ccc(Cl)cc1 ZINC000743363751 572653341 /nfs/dbraw/zinc/65/33/41/572653341.db2.gz HPPVPIMZRIOWBX-OAHLLOKOSA-N 1 1 292.810 3.469 20 30 CGEDMO N#Cc1ccc(C[N@H+](CCCCCCCO)C2CC2)cc1 ZINC000743843373 572688549 /nfs/dbraw/zinc/68/85/49/572688549.db2.gz YPKXACCPTMMCLU-UHFFFAOYSA-N 1 1 286.419 3.465 20 30 CGEDMO C#CC[N@H+](Cc1cc(C(=O)OC)c(C)o1)C1CCCCC1 ZINC000744212545 572723516 /nfs/dbraw/zinc/72/35/16/572723516.db2.gz HVXVHNMNULFOBV-UHFFFAOYSA-N 1 1 289.375 3.143 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1cccc(OC)c1OC ZINC000735490111 572726007 /nfs/dbraw/zinc/72/60/07/572726007.db2.gz FNIBQMOBVFUQAW-UHFFFAOYSA-N 1 1 263.381 3.492 20 30 CGEDMO C=CC[N@H+](CCC(=O)Nc1ccccc1C)C(C)C ZINC000744389289 572749281 /nfs/dbraw/zinc/74/92/81/572749281.db2.gz PETPQMOJHKOQGI-UHFFFAOYSA-N 1 1 260.381 3.220 20 30 CGEDMO CCCCCCCC[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000744411936 572751405 /nfs/dbraw/zinc/75/14/05/572751405.db2.gz ALUGFLTYJQXVFG-KRWDZBQOSA-N 1 1 282.472 3.144 20 30 CGEDMO C#CC[N@H+](CCc1nc2ccccc2n1C)C1CCCCC1 ZINC000736308619 572780738 /nfs/dbraw/zinc/78/07/38/572780738.db2.gz LFOJJGWDABQEMF-UHFFFAOYSA-N 1 1 295.430 3.384 20 30 CGEDMO C[C@H]1CC(=NOCc2ccc(C(F)(F)F)cc2)C[N@H+]1C ZINC000746576138 572880793 /nfs/dbraw/zinc/88/07/93/572880793.db2.gz GSMBZMGZFTWEGS-JTQLQIEISA-N 1 1 286.297 3.302 20 30 CGEDMO C[C@@H]1C[N@@H+](C)CC1=NOCc1ccc(C(F)(F)F)cc1 ZINC000746577380 572881998 /nfs/dbraw/zinc/88/19/98/572881998.db2.gz VKQDWYVEIOWGHQ-SNVBAGLBSA-N 1 1 286.297 3.160 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)C(C)C ZINC000750040410 573075788 /nfs/dbraw/zinc/07/57/88/573075788.db2.gz VUDIQVHPKDRFDD-UHFFFAOYSA-N 1 1 291.420 3.072 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)C(C)C ZINC000750040410 573075794 /nfs/dbraw/zinc/07/57/94/573075794.db2.gz VUDIQVHPKDRFDD-UHFFFAOYSA-N 1 1 291.420 3.072 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Br)o1)C(C)C ZINC000792162873 629341976 /nfs/dbraw/zinc/34/19/76/629341976.db2.gz QRTKYRQOLQNTEK-UHFFFAOYSA-N 1 1 258.159 3.439 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc([C@H](C)SCC)no1 ZINC000904629420 621948317 /nfs/dbraw/zinc/94/83/17/621948317.db2.gz VRZSCWQIGKNNBU-UWVGGRQHSA-N 1 1 255.387 3.240 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C(C)C)c2)C[C@@H]1C ZINC000947896016 613236337 /nfs/dbraw/zinc/23/63/37/613236337.db2.gz UHIADZFIXVBVNC-MAUKXSAKSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCC1 ZINC000960785707 613240834 /nfs/dbraw/zinc/24/08/34/613240834.db2.gz HUUJFLAZHOTEMS-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C)C(C)C)C2)C1 ZINC000982048869 613250573 /nfs/dbraw/zinc/25/05/73/613250573.db2.gz YFRZEOFXOJYXIB-INIZCTEOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@H]2CC)CC1 ZINC000981896307 613254216 /nfs/dbraw/zinc/25/42/16/613254216.db2.gz KQZMULDTHWNXQS-SJORKVTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)[C@H]2CCCC23CC3)CC1 ZINC000981443009 613254485 /nfs/dbraw/zinc/25/44/85/613254485.db2.gz XAVWMKJPWJNGMF-MRXNPFEDSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[NH+]1CCN(C(=O)c2sccc2CC)CC1 ZINC000957761124 613263634 /nfs/dbraw/zinc/26/36/34/613263634.db2.gz GMQYKHRUVWDEOD-UHFFFAOYSA-N 1 1 292.448 3.035 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2(F)CCCC2)C[C@@H]1C ZINC000947468278 613270463 /nfs/dbraw/zinc/27/04/63/613270463.db2.gz IHHODABTIALBGY-GJZGRUSLSA-N 1 1 296.430 3.204 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)CCC2CCCC2)C1 ZINC000971002487 613283043 /nfs/dbraw/zinc/28/30/43/613283043.db2.gz GFUIGZKSKDOOHT-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC000972767989 613284419 /nfs/dbraw/zinc/28/44/19/613284419.db2.gz SEKQSBGEVGLCEN-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccoc2C(C)C)C1 ZINC000980513964 613287000 /nfs/dbraw/zinc/28/70/00/613287000.db2.gz BIGKHQUCIGGLCL-CQSZACIVSA-N 1 1 290.407 3.125 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)C2CC(C(C)(C)C)C2)C1 ZINC000980521299 613288400 /nfs/dbraw/zinc/28/84/00/613288400.db2.gz MLPVTIHFFXDXFO-GPANFISMSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC=CCCC2)C1 ZINC000971778274 613290318 /nfs/dbraw/zinc/29/03/18/613290318.db2.gz MJJQAQJDZLNNGY-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)C(C)(C)C2CCCC2)CC1 ZINC000981350732 613307637 /nfs/dbraw/zinc/30/76/37/613307637.db2.gz UFSCNOJKONKGRO-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)[C@@]2(C)CCC[C@@H]2CC)CC1 ZINC000981451435 613310064 /nfs/dbraw/zinc/31/00/64/613310064.db2.gz SRTBXRYNAYTPLN-WMZOPIPTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)c2cc(C)sc2C)CC1 ZINC000981570354 613311718 /nfs/dbraw/zinc/31/17/18/613311718.db2.gz NLPQBOLJCWYKPK-UHFFFAOYSA-N 1 1 292.448 3.089 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC=CCC2)CC1 ZINC000948170123 613314683 /nfs/dbraw/zinc/31/46/83/613314683.db2.gz ZLSDRCWFCMJVGB-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)cs2)C1 ZINC000966001254 613324176 /nfs/dbraw/zinc/32/41/76/613324176.db2.gz YJOCUBIFDXZXEN-KGLIPLIRSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc(C)c2)C1 ZINC000964841311 613324303 /nfs/dbraw/zinc/32/43/03/613324303.db2.gz YWSHTSBBPFYXPD-WBVHZDCISA-N 1 1 286.419 3.011 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(C)s2)C1 ZINC000964719145 613326176 /nfs/dbraw/zinc/32/61/76/613326176.db2.gz WCYNRSBDAQAECO-TZMCWYRMSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C)cc2)[C@H](C)C1 ZINC000944264181 613329564 /nfs/dbraw/zinc/32/95/64/613329564.db2.gz NCPBTDMOAJXYEY-NVXWUHKLSA-N 1 1 286.419 3.011 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C(F)=C2CCCC2)C1 ZINC000965894100 613332208 /nfs/dbraw/zinc/33/22/08/613332208.db2.gz BSODMFAMZYYMPC-ZFWWWQNUSA-N 1 1 294.414 3.187 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(C)s2)C1 ZINC000964719140 613333181 /nfs/dbraw/zinc/33/31/81/613333181.db2.gz WCYNRSBDAQAECO-JSGCOSHPSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(C)cc2)C1 ZINC000968578251 613334334 /nfs/dbraw/zinc/33/43/34/613334334.db2.gz CPDJTAKLSHXRJK-DOTOQJQBSA-N 1 1 286.419 3.011 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2(C3CC3)CCC2)C[C@@H]1C ZINC000947572227 613334639 /nfs/dbraw/zinc/33/46/39/613334639.db2.gz LYOYOSDKCAGLGQ-HOCLYGCPSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2oc(C)cc2C)C[C@@H]1C ZINC000947166559 613337264 /nfs/dbraw/zinc/33/72/64/613337264.db2.gz PLLRHHPIZUBWAH-ZFWWWQNUSA-N 1 1 290.407 3.055 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C)C2CCCC2)C1 ZINC000972701030 613369956 /nfs/dbraw/zinc/36/99/56/613369956.db2.gz RGSQINSXOJTAFV-ZFWWWQNUSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)C2CCCC2)C1 ZINC000972701030 613369957 /nfs/dbraw/zinc/36/99/57/613369957.db2.gz RGSQINSXOJTAFV-ZFWWWQNUSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](N(C)C(=O)C2CC(C)C2)CC1 ZINC000948286813 613374334 /nfs/dbraw/zinc/37/43/34/613374334.db2.gz VVCYLHKIQOKOAX-ZALBZXLWSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](N(C)C(=O)CC2CCC2)CC1 ZINC000948257225 613374457 /nfs/dbraw/zinc/37/44/57/613374457.db2.gz PHYLKGLQHSFKPM-HNNXBMFYSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C2CC2)C[C@@H]1C ZINC000947632631 613376132 /nfs/dbraw/zinc/37/61/32/613376132.db2.gz DFIJGRXWBLLSAY-GXTWGEPZSA-N 1 1 298.858 3.144 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C2CC2)C[C@@H]1C ZINC000947632631 613376133 /nfs/dbraw/zinc/37/61/33/613376133.db2.gz DFIJGRXWBLLSAY-GXTWGEPZSA-N 1 1 298.858 3.144 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C2CC2)C[C@H]1C ZINC000947632634 613376182 /nfs/dbraw/zinc/37/61/82/613376182.db2.gz DFIJGRXWBLLSAY-TZMCWYRMSA-N 1 1 298.858 3.144 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C2CC2)C[C@H]1C ZINC000947632634 613376183 /nfs/dbraw/zinc/37/61/83/613376183.db2.gz DFIJGRXWBLLSAY-TZMCWYRMSA-N 1 1 298.858 3.144 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[N@H+](CC[C@@H](C)F)CC2)CC1 ZINC000981886173 613404841 /nfs/dbraw/zinc/40/48/41/613404841.db2.gz YUQLXKVHIPGVDS-OAHLLOKOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC000972082440 613434536 /nfs/dbraw/zinc/43/45/36/613434536.db2.gz NNMKMGOBLFDWIY-MRXNPFEDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[N@H+](C[C@@H](C)CC)CC1 ZINC000981887329 613473019 /nfs/dbraw/zinc/47/30/19/613473019.db2.gz AOPFVMFYPIPCON-RDJZCZTQSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)c2ccc(CC)s2)C1 ZINC000950793580 613479805 /nfs/dbraw/zinc/47/98/05/613479805.db2.gz IQJLOPAUYLKYBL-UHFFFAOYSA-N 1 1 292.448 3.033 20 30 CGEDMO C=CCC[N@@H+]1CCCC2(CN(C(=O)c3cccc(C)c3)C2)C1 ZINC000981599444 613490107 /nfs/dbraw/zinc/49/01/07/613490107.db2.gz HKFFXIOWZJSJDH-UHFFFAOYSA-N 1 1 298.430 3.109 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCC2(C)C)CC1 ZINC000948696919 613499439 /nfs/dbraw/zinc/49/94/39/613499439.db2.gz BUMISANWQDKJQQ-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC23CCC3)CC1 ZINC000948820615 613499785 /nfs/dbraw/zinc/49/97/85/613499785.db2.gz NMYFOWHADAFEFV-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC(C)C)C1 ZINC000963245161 613500313 /nfs/dbraw/zinc/50/03/13/613500313.db2.gz SPKNISCYDBMSMM-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C2=CCCCCC2)C[C@H]1C ZINC000947245100 613519229 /nfs/dbraw/zinc/51/92/29/613519229.db2.gz QMACWXXMCJSRGK-NVXWUHKLSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)CC2CC(C)(C)C2)C[C@H]1C ZINC000947653343 613519967 /nfs/dbraw/zinc/51/99/67/613519967.db2.gz MFRJQDSZYKZHGL-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2)C(C)(C)C1 ZINC000940538431 613524518 /nfs/dbraw/zinc/52/45/18/613524518.db2.gz OBVRGAFYQIWHKQ-MRXNPFEDSA-N 1 1 286.419 3.093 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2=CCCCCC2)C1 ZINC000965945880 613530635 /nfs/dbraw/zinc/53/06/35/613530635.db2.gz CRCYGCQUQRJDNL-DOTOQJQBSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2oc(C)cc2C)C[C@H]1C ZINC000947166533 613542794 /nfs/dbraw/zinc/54/27/94/613542794.db2.gz OSVXMUFNXLHOLZ-HIFRSBDPSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CCC[N@H+]1C[C@H](NC(=O)C[C@H]2C=CCCC2)C(C)(C)C1 ZINC000974742484 613554094 /nfs/dbraw/zinc/55/40/94/613554094.db2.gz PRZKGTUIUJDGOT-HOTGVXAUSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2sccc2C)C(C)(C)C1 ZINC000972762765 613556967 /nfs/dbraw/zinc/55/69/67/613556967.db2.gz HRDBRCYGMVSWSJ-ZDUSSCGKSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)c2coc3ccccc23)[C@H](C)C1 ZINC000945942699 613760083 /nfs/dbraw/zinc/76/00/83/613760083.db2.gz KIUOYXVVVZSCFI-CZUORRHYSA-N 1 1 298.386 3.059 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cscc2C)C(C)(C)C1 ZINC000940658988 613760626 /nfs/dbraw/zinc/76/06/26/613760626.db2.gz UGHLALSDNKNLQC-CQSZACIVSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)C2(F)CCCCC2)C(C)(C)C1 ZINC000941145097 613779306 /nfs/dbraw/zinc/77/93/06/613779306.db2.gz KRRDAESCSBSLSU-AWEZNQCLSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)[C@@H](C)C1 ZINC000944230037 613784173 /nfs/dbraw/zinc/78/41/73/613784173.db2.gz YCOMAZYNZPAWMP-QAETUUGQSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C2(C)C(C)(C)C2(C)C)C(C)(C)C1 ZINC000977681531 613806305 /nfs/dbraw/zinc/80/63/05/613806305.db2.gz NTHOHEGOXPTZTG-CYBMUJFWSA-N 1 1 292.467 3.071 20 30 CGEDMO CC(C)[N@@H+](CCCCCCO)Cc1ccc(C#N)cc1 ZINC000175752891 617886179 /nfs/dbraw/zinc/88/61/79/617886179.db2.gz PEMUPLCCFMAMJP-UHFFFAOYSA-N 1 1 274.408 3.321 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)/C(C)=C\C)C1 ZINC001021553375 618038126 /nfs/dbraw/zinc/03/81/26/618038126.db2.gz HMYLBSWUPPGMQP-GVEVTVJESA-N 1 1 296.842 3.018 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC2CCC2)C1 ZINC001021556041 618040845 /nfs/dbraw/zinc/04/08/45/618040845.db2.gz QFTQFJVSCUSXGY-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C#CC[C@H](Cc1ccccc1)Nc1cc[nH+]cc1Cl ZINC000804807697 617849679 /nfs/dbraw/zinc/84/96/79/617849679.db2.gz KITYTMYJUFMDEG-CQSZACIVSA-N 1 1 270.763 3.203 20 30 CGEDMO C=C1CC(C)(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCC)C1 ZINC001021373198 617970693 /nfs/dbraw/zinc/97/06/93/617970693.db2.gz HPIUQCRQHYOBFU-MQVJKMGUSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccc(C)c2)C1 ZINC001021510486 618017306 /nfs/dbraw/zinc/01/73/06/618017306.db2.gz ZJSNSFPWDWGFQZ-MSOLQXFVSA-N 1 1 298.430 3.108 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCC2CC2)C1 ZINC001021546097 618032578 /nfs/dbraw/zinc/03/25/78/618032578.db2.gz BSOJOLZKGAJJSF-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)/C(C)=C/C)C1 ZINC001021553374 618037670 /nfs/dbraw/zinc/03/76/70/618037670.db2.gz HMYLBSWUPPGMQP-CDMDTQCVSA-N 1 1 296.842 3.018 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCCOc2ccc(C#N)cc2)[C@@H]1C ZINC000050564776 618120878 /nfs/dbraw/zinc/12/08/78/618120878.db2.gz OGSDQDOARTUQRK-HUUCEWRRSA-N 1 1 272.392 3.448 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@H](Cc2nc(C)cs2)C1 ZINC000933126815 618158528 /nfs/dbraw/zinc/15/85/28/618158528.db2.gz RQHMCZSXBOSFKD-QWHCGFSZSA-N 1 1 250.411 3.281 20 30 CGEDMO NC(=[NH+]OCc1cccc(OC(F)F)c1)C1CCCC1 ZINC000050957139 618171692 /nfs/dbraw/zinc/17/16/92/618171692.db2.gz HTLHKAOILWJVFG-UHFFFAOYSA-N 1 1 284.306 3.267 20 30 CGEDMO CCON=C1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000841615579 618217303 /nfs/dbraw/zinc/21/73/03/618217303.db2.gz CFTQPNHCWIYCAG-MRXNPFEDSA-N 1 1 258.365 3.378 20 30 CGEDMO C=CC[N@H+](C)C[C@H](O)c1ccc(Cl)cc1Cl ZINC000121438064 618220430 /nfs/dbraw/zinc/22/04/30/618220430.db2.gz BUXLOGASLPOFOL-LBPRGKRZSA-N 1 1 260.164 3.145 20 30 CGEDMO C#CC[N@H+](CCC[C@H](C)O)[C@H]1CCCc2ccccc21 ZINC000933417099 618228688 /nfs/dbraw/zinc/22/86/88/618228688.db2.gz FTBALRQKIDTWLA-YJBOKZPZSA-N 1 1 271.404 3.160 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cs1)CC1CC(F)(F)C1 ZINC000933773028 618325099 /nfs/dbraw/zinc/32/50/99/618325099.db2.gz ZVEAOMOEEUFWFT-UHFFFAOYSA-N 1 1 256.321 3.097 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@@H]1CCC(C)(C)O1 ZINC000933773679 618326062 /nfs/dbraw/zinc/32/60/62/618326062.db2.gz PNCVTWJNWCZJFJ-LBPRGKRZSA-N 1 1 264.394 3.009 20 30 CGEDMO C[C@H]1CSCCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000934298941 618582421 /nfs/dbraw/zinc/58/24/21/618582421.db2.gz DHKWGFQSZIYZQB-NSHDSACASA-N 1 1 264.369 3.025 20 30 CGEDMO C[C@H]1CSCCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000934298941 618582427 /nfs/dbraw/zinc/58/24/27/618582427.db2.gz DHKWGFQSZIYZQB-NSHDSACASA-N 1 1 264.369 3.025 20 30 CGEDMO C[C@H]1CSCCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000934303270 618585023 /nfs/dbraw/zinc/58/50/23/618585023.db2.gz IWHMKMSMLSQQBX-ZDUSSCGKSA-N 1 1 263.381 3.005 20 30 CGEDMO COCCCC1(C[N@@H+](C[C@@H](C)C#N)C2CC2)CCC1 ZINC000892195240 618585238 /nfs/dbraw/zinc/58/52/38/618585238.db2.gz ONVRCNUXJPNLPU-AWEZNQCLSA-N 1 1 264.413 3.207 20 30 CGEDMO COc1ccc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)o1 ZINC000892245760 618610434 /nfs/dbraw/zinc/61/04/34/618610434.db2.gz GUEBWTDWMLCNJM-UHFFFAOYSA-N 1 1 294.354 3.449 20 30 CGEDMO COc1ccc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)o1 ZINC000892245760 618610435 /nfs/dbraw/zinc/61/04/35/618610435.db2.gz GUEBWTDWMLCNJM-UHFFFAOYSA-N 1 1 294.354 3.449 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000934470608 618627726 /nfs/dbraw/zinc/62/77/26/618627726.db2.gz OQGZWAFSNVEKRH-HUUCEWRRSA-N 1 1 272.392 3.281 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000934470608 618627728 /nfs/dbraw/zinc/62/77/28/618627728.db2.gz OQGZWAFSNVEKRH-HUUCEWRRSA-N 1 1 272.392 3.281 20 30 CGEDMO C#CCCCCCC(=O)NC[C@H]1CCCC[N@@H+]1CCCC ZINC000780448758 618659612 /nfs/dbraw/zinc/65/96/12/618659612.db2.gz DRDFKZJPPUUMDU-QGZVFWFLSA-N 1 1 292.467 3.341 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000934835754 618701258 /nfs/dbraw/zinc/70/12/58/618701258.db2.gz WNUVYLFGKYEYSL-MOPGFXCFSA-N 1 1 298.430 3.239 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[C@H]1C ZINC001017861460 618886822 /nfs/dbraw/zinc/88/68/22/618886822.db2.gz VHXOTPPDEHXSTJ-WCXIOVBPSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[C@H]1C ZINC001017861460 618886825 /nfs/dbraw/zinc/88/68/25/618886825.db2.gz VHXOTPPDEHXSTJ-WCXIOVBPSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001007408868 618889108 /nfs/dbraw/zinc/88/91/08/618889108.db2.gz BFFFNASKXIRYTA-WMZOPIPTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)C(C)(C)C2CCCC2)C1 ZINC001007512459 618895398 /nfs/dbraw/zinc/89/53/98/618895398.db2.gz JAYOMAZCJMHBLO-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H](COC)c1cccc(Cl)c1 ZINC000309456674 618898125 /nfs/dbraw/zinc/89/81/25/618898125.db2.gz MRHNAHGRGFXKRZ-LBPRGKRZSA-N 1 1 260.164 3.370 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](C[C@H]2CCc3ccccc32)C1 ZINC000784451567 618960235 /nfs/dbraw/zinc/96/02/35/618960235.db2.gz IBUDYPBNGJZWOV-WBVHZDCISA-N 1 1 254.377 3.342 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)CC2(CCC2)O1 ZINC000930824320 619079776 /nfs/dbraw/zinc/07/97/76/619079776.db2.gz DDNVLSQFTVOFRY-OAHLLOKOSA-N 1 1 276.424 3.494 20 30 CGEDMO CCCCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247966816 619093612 /nfs/dbraw/zinc/09/36/12/619093612.db2.gz GXORRYAPTBYTDZ-HOTGVXAUSA-N 1 1 252.446 3.373 20 30 CGEDMO CCCCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247966816 619093614 /nfs/dbraw/zinc/09/36/14/619093614.db2.gz GXORRYAPTBYTDZ-HOTGVXAUSA-N 1 1 252.446 3.373 20 30 CGEDMO CCCCCCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247966816 619093616 /nfs/dbraw/zinc/09/36/16/619093616.db2.gz GXORRYAPTBYTDZ-HOTGVXAUSA-N 1 1 252.446 3.373 20 30 CGEDMO CCCCCCCN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247966816 619093618 /nfs/dbraw/zinc/09/36/18/619093618.db2.gz GXORRYAPTBYTDZ-HOTGVXAUSA-N 1 1 252.446 3.373 20 30 CGEDMO CC(C)(C)OC(=O)C1(CC[N@@H+]2CC[C@](C)(C#N)C2)CCC1 ZINC000931062543 619107955 /nfs/dbraw/zinc/10/79/55/619107955.db2.gz KTOZBAWJFFCZBA-MRXNPFEDSA-N 1 1 292.423 3.124 20 30 CGEDMO CC(C)(C)OC(=O)C1(CC[N@H+]2CC[C@](C)(C#N)C2)CCC1 ZINC000931062543 619107958 /nfs/dbraw/zinc/10/79/58/619107958.db2.gz KTOZBAWJFFCZBA-MRXNPFEDSA-N 1 1 292.423 3.124 20 30 CGEDMO C[N@@H+]1C[C@]2(C)C[NH+](CCCCC3(C#N)CCC3)C[C@]2(C)C1 ZINC000931316934 619143555 /nfs/dbraw/zinc/14/35/55/619143555.db2.gz LPQRSXREQKXEEY-CALCHBBNSA-N 1 1 289.467 3.124 20 30 CGEDMO C[N@H+]1C[C@]2(C)C[NH+](CCCCC3(C#N)CCC3)C[C@]2(C)C1 ZINC000931316934 619143556 /nfs/dbraw/zinc/14/35/56/619143556.db2.gz LPQRSXREQKXEEY-CALCHBBNSA-N 1 1 289.467 3.124 20 30 CGEDMO Oc1ccccc1/C=N/C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195162791 619147002 /nfs/dbraw/zinc/14/70/02/619147002.db2.gz QPEPDESWRFVTTE-NNIWKIFQSA-N 1 1 294.398 3.333 20 30 CGEDMO C[N@H+](C[C@@H]1CCCC2(CCC2)O1)[C@@H]1CCC[C@H]1C#N ZINC000931476673 619181547 /nfs/dbraw/zinc/18/15/47/619181547.db2.gz QOUWRHNWYDRNHB-SOUVJXGZSA-N 1 1 262.397 3.102 20 30 CGEDMO C[N@@H+](C[C@@H]1CCCC2(CCC2)O1)[C@@H]1CCC[C@H]1C#N ZINC000931476673 619181550 /nfs/dbraw/zinc/18/15/50/619181550.db2.gz QOUWRHNWYDRNHB-SOUVJXGZSA-N 1 1 262.397 3.102 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001009663963 619184504 /nfs/dbraw/zinc/18/45/04/619184504.db2.gz VLXPEARTHXVBFF-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO N#CCCC[N@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000932188476 619308376 /nfs/dbraw/zinc/30/83/76/619308376.db2.gz LHPMMSXPIWFLKW-GFCCVEGCSA-N 1 1 275.421 3.115 20 30 CGEDMO C[C@@H](CC#N)[N@H+](C)Cc1cc2c(cccc2O)s1 ZINC000894002964 619349655 /nfs/dbraw/zinc/34/96/55/619349655.db2.gz YZRMHHBAULMVFW-JTQLQIEISA-N 1 1 260.362 3.341 20 30 CGEDMO C[C@@H](CC#N)[N@@H+](C)Cc1cc2c(cccc2O)s1 ZINC000894002964 619349656 /nfs/dbraw/zinc/34/96/56/619349656.db2.gz YZRMHHBAULMVFW-JTQLQIEISA-N 1 1 260.362 3.341 20 30 CGEDMO C#C[C@@H]([NH2+][C@@H]1COC2(CCC2)C1)c1ccc(Cl)cc1F ZINC000894406415 619522474 /nfs/dbraw/zinc/52/24/74/619522474.db2.gz LZZMSVBWFFRREK-SWLSCSKDSA-N 1 1 293.769 3.455 20 30 CGEDMO C[C@]1(C#N)CCC[N@H+](Cc2cccc3c2NCCC3)C1 ZINC000894443954 619538755 /nfs/dbraw/zinc/53/87/55/619538755.db2.gz JAUBKHNNOBHAGL-QGZVFWFLSA-N 1 1 269.392 3.170 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](Cc2cccc3c2NCCC3)C1 ZINC000894443954 619538759 /nfs/dbraw/zinc/53/87/59/619538759.db2.gz JAUBKHNNOBHAGL-QGZVFWFLSA-N 1 1 269.392 3.170 20 30 CGEDMO C=CCCCC[N@H+]1CC[C@H](C(F)(F)F)O[C@H](C)C1 ZINC000880066042 619542432 /nfs/dbraw/zinc/54/24/32/619542432.db2.gz CAQUWYNLMNXUET-VXGBXAGGSA-N 1 1 265.319 3.384 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cs1 ZINC000894700829 619607390 /nfs/dbraw/zinc/60/73/90/619607390.db2.gz VPKJGQVYYSMKAA-BZUAXINKSA-N 1 1 290.432 3.135 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cs1 ZINC000894700831 619607617 /nfs/dbraw/zinc/60/76/17/619607617.db2.gz VPKJGQVYYSMKAA-XHSDSOJGSA-N 1 1 290.432 3.135 20 30 CGEDMO C[C@@H]1CC2(C[N@H+]1Cc1csc(C#N)c1)CCOCC2 ZINC000895120453 619739252 /nfs/dbraw/zinc/73/92/52/619739252.db2.gz DFRYYNDXMXKMNP-GFCCVEGCSA-N 1 1 276.405 3.011 20 30 CGEDMO Cc1nn(C(C)C)c(C)c1C[NH2+]CC1(C#N)CCCC1 ZINC000895142493 619752162 /nfs/dbraw/zinc/75/21/62/619752162.db2.gz RCKKQMLNVHEZKU-UHFFFAOYSA-N 1 1 274.412 3.254 20 30 CGEDMO CSCCON=C(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000794574770 619769045 /nfs/dbraw/zinc/76/90/45/619769045.db2.gz OWJQJSZRGOPMRF-MRXNPFEDSA-N 1 1 292.448 3.264 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cnc(CC(F)(F)F)s2)C1 ZINC000895202439 619779325 /nfs/dbraw/zinc/77/93/25/619779325.db2.gz OCXUDLZUJINUJC-JTQLQIEISA-N 1 1 288.338 3.093 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000895250172 619790702 /nfs/dbraw/zinc/79/07/02/619790702.db2.gz DRYAUTIYCQAVLV-GFCCVEGCSA-N 1 1 271.364 3.057 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2ccnn2C2CCC2)C1 ZINC000895337742 619807033 /nfs/dbraw/zinc/80/70/33/619807033.db2.gz KSZZUPRBMHNMAE-CQSZACIVSA-N 1 1 259.397 3.396 20 30 CGEDMO C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000895380026 619817026 /nfs/dbraw/zinc/81/70/26/619817026.db2.gz XCIBOXLKRHMLEA-MAUKXSAKSA-N 1 1 285.435 3.110 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H](CCF)C2)cs1 ZINC000895383913 619817625 /nfs/dbraw/zinc/81/76/25/619817625.db2.gz RJXRRUYAIBEKPC-NSHDSACASA-N 1 1 252.358 3.191 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cn(CC)nc2-c2ccccc2)C1 ZINC000895389434 619819039 /nfs/dbraw/zinc/81/90/39/619819039.db2.gz FYEJQJZLTBZPEW-INIZCTEOSA-N 1 1 293.414 3.415 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)cs1 ZINC000895587420 619855226 /nfs/dbraw/zinc/85/52/26/619855226.db2.gz SKJGZZBCNYSZHC-KRWDZBQOSA-N 1 1 298.411 3.103 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1C[C@@H]2COC[C@]2(c2ccccc2)C1 ZINC000896223207 619966138 /nfs/dbraw/zinc/96/61/38/619966138.db2.gz OVAHEDYYKPBUKR-MJGOQNOKSA-N 1 1 298.430 3.216 20 30 CGEDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC[C@H](C#N)C1 ZINC000788020173 620164306 /nfs/dbraw/zinc/16/43/06/620164306.db2.gz OIGSLKDMBHFWLO-JQWIXIFHSA-N 1 1 293.754 3.372 20 30 CGEDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC[C@H](C#N)C1 ZINC000788020173 620164307 /nfs/dbraw/zinc/16/43/07/620164307.db2.gz OIGSLKDMBHFWLO-JQWIXIFHSA-N 1 1 293.754 3.372 20 30 CGEDMO Cc1csc(C[C@@H]2CC[N@H+](C[C@@H](C)CCC#N)C2)n1 ZINC000897299254 620186282 /nfs/dbraw/zinc/18/62/82/620186282.db2.gz XVNCTZTVAYYMCE-JSGCOSHPSA-N 1 1 277.437 3.256 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H](C)C(C)(C)C)CC1 ZINC000985495837 620200218 /nfs/dbraw/zinc/20/02/18/620200218.db2.gz OKIUNHWAVVMWKB-AWEZNQCLSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)C2(C)CCCCC2)CC1 ZINC000985614965 620221907 /nfs/dbraw/zinc/22/19/07/620221907.db2.gz QETVYBCLMIKPHY-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO C#CC[N@H+](Cc1cccc(COC)c1)C1CCCC1 ZINC000179231222 620373254 /nfs/dbraw/zinc/37/32/54/620373254.db2.gz QJWBJULOAGCDHG-UHFFFAOYSA-N 1 1 257.377 3.211 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1ccnc(OC)c1F ZINC000898245083 620496799 /nfs/dbraw/zinc/49/67/99/620496799.db2.gz VQAPBBADXUFEHG-UHFFFAOYSA-N 1 1 252.333 3.017 20 30 CGEDMO C=CC[N@H+]1CCCN(C(=O)c2ccccc2C2CCC2)CC1 ZINC000989574917 620517720 /nfs/dbraw/zinc/51/77/20/620517720.db2.gz YALMBDIIYRKJGQ-UHFFFAOYSA-N 1 1 298.430 3.288 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)c3cccs3)CCC[C@H]12 ZINC000989925108 620532457 /nfs/dbraw/zinc/53/24/57/620532457.db2.gz GYFWBAVDCPOWNB-GOEBONIOSA-N 1 1 290.432 3.051 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)c3ccsc3)CCC[C@@H]12 ZINC000989935456 620533300 /nfs/dbraw/zinc/53/33/00/620533300.db2.gz GRDKGNBKVIVBGW-ZBFHGGJFSA-N 1 1 290.432 3.051 20 30 CGEDMO Cc1cc(NCc2ccc(N(C)CCC#N)cc2)nc(C)[nH+]1 ZINC000902168724 621182237 /nfs/dbraw/zinc/18/22/37/621182237.db2.gz JGIYOUPVUQHKKF-UHFFFAOYSA-N 1 1 295.390 3.055 20 30 CGEDMO CCOc1ccccc1C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902759610 621428591 /nfs/dbraw/zinc/42/85/91/621428591.db2.gz AJBSLBCQMZUPEJ-ZDUSSCGKSA-N 1 1 281.359 3.203 20 30 CGEDMO CC[C@@H](N[C@H]1CC[N@H+](CC2CC2)C1)c1cccc(C#N)c1 ZINC000902797766 621452307 /nfs/dbraw/zinc/45/23/07/621452307.db2.gz YRCPUUFBMGURBB-ZWKOTPCHSA-N 1 1 283.419 3.083 20 30 CGEDMO CC[C@@H](N[C@H]1CC[N@@H+](CC2CC2)C1)c1cccc(C#N)c1 ZINC000902797766 621452322 /nfs/dbraw/zinc/45/23/22/621452322.db2.gz YRCPUUFBMGURBB-ZWKOTPCHSA-N 1 1 283.419 3.083 20 30 CGEDMO CC[C@H]([NH2+][C@H](C)c1cc(C#N)ccn1)c1c(C)noc1C ZINC000902888073 621486252 /nfs/dbraw/zinc/48/62/52/621486252.db2.gz PUNXIIWTYVMRDC-YGRLFVJLSA-N 1 1 284.363 3.360 20 30 CGEDMO C[C@@H]([NH2+]C1(c2cccc(F)c2)CC1)c1cc(C#N)ccn1 ZINC000902914958 621495547 /nfs/dbraw/zinc/49/55/47/621495547.db2.gz LJRMUMPUWDBJSX-GFCCVEGCSA-N 1 1 281.334 3.432 20 30 CGEDMO CC[C@H](N[C@@H](C)C[N@@H+](C)C(C)C)c1cccc(C#N)c1 ZINC000902992022 621513120 /nfs/dbraw/zinc/51/31/20/621513120.db2.gz FMVYWQGJKQKVQD-YOEHRIQHSA-N 1 1 273.424 3.328 20 30 CGEDMO CC[C@H](N[C@@H](C)C[N@H+](C)C(C)C)c1cccc(C#N)c1 ZINC000902992022 621513117 /nfs/dbraw/zinc/51/31/17/621513117.db2.gz FMVYWQGJKQKVQD-YOEHRIQHSA-N 1 1 273.424 3.328 20 30 CGEDMO CC[C@H]([NH2+][C@H](C)c1ccn(C)n1)c1cccc(C#N)c1 ZINC000903017834 621521030 /nfs/dbraw/zinc/52/10/30/621521030.db2.gz SSOLYGQLIKLGSU-DOMZBBRYSA-N 1 1 268.364 3.094 20 30 CGEDMO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CC1(C#N)CCC1 ZINC000903031998 621535062 /nfs/dbraw/zinc/53/50/62/621535062.db2.gz OKKNFERQWZNOLA-OAHLLOKOSA-N 1 1 270.376 3.492 20 30 CGEDMO CC[C@@H]([NH2+]Cc1ncccc1OC)c1cccc(C#N)c1 ZINC000903014309 621535150 /nfs/dbraw/zinc/53/51/50/621535150.db2.gz QKKHBJVAGXNXDN-OAHLLOKOSA-N 1 1 281.359 3.203 20 30 CGEDMO CC[C@H]([NH2+][C@@H](c1nncn1C)C(C)C)c1cccc(C#N)c1 ZINC000903063149 621552001 /nfs/dbraw/zinc/55/20/01/621552001.db2.gz BUGKDQSNSJRAMU-JKSUJKDBSA-N 1 1 297.406 3.125 20 30 CGEDMO C[C@@H](N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cc(C#N)ccn1 ZINC000903053197 621557333 /nfs/dbraw/zinc/55/73/33/621557333.db2.gz NISFCPPCLOPOJH-GDBMZVCRSA-N 1 1 298.434 3.011 20 30 CGEDMO C[C@H](N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cc(C#N)ccn1 ZINC000903053199 621557424 /nfs/dbraw/zinc/55/74/24/621557424.db2.gz NISFCPPCLOPOJH-GOEBONIOSA-N 1 1 298.434 3.011 20 30 CGEDMO CC(C)(C#N)C[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000903102028 621575580 /nfs/dbraw/zinc/57/55/80/621575580.db2.gz PZRSDBQQDDPAKI-INIZCTEOSA-N 1 1 294.402 3.389 20 30 CGEDMO CC1(C)C[C@H]([NH2+]CC2(C#N)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000903106778 621580867 /nfs/dbraw/zinc/58/08/67/621580867.db2.gz VDRABYZMEWZANI-AWEZNQCLSA-N 1 1 285.347 3.211 20 30 CGEDMO COC(=O)c1csc([C@H](C)[NH2+]CC2(C#N)CCCC2)c1 ZINC000903108574 621581089 /nfs/dbraw/zinc/58/10/89/621581089.db2.gz DLELVYXIIUWUPD-NSHDSACASA-N 1 1 292.404 3.269 20 30 CGEDMO N#CC1(C[NH2+][C@@H]2CCCc3ccc(O)cc32)CCCC1 ZINC000903108388 621581297 /nfs/dbraw/zinc/58/12/97/621581297.db2.gz BOTGECDVGLPHDE-MRXNPFEDSA-N 1 1 270.376 3.443 20 30 CGEDMO CC[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(C#N)cc1 ZINC000903262099 621647645 /nfs/dbraw/zinc/64/76/45/621647645.db2.gz AIEWFTUNYWNQAP-CQSZACIVSA-N 1 1 282.372 3.127 20 30 CGEDMO CC[C@H]([NH2+]Cc1nc(C#N)cs1)c1cccc(F)c1 ZINC000903262677 621647895 /nfs/dbraw/zinc/64/78/95/621647895.db2.gz GJFDSTYBAQBBCV-ZDUSSCGKSA-N 1 1 275.352 3.395 20 30 CGEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ccc(CCC#N)cc1 ZINC000903298108 621666276 /nfs/dbraw/zinc/66/62/76/621666276.db2.gz NLUPXIUEEHRMET-DYVFJYSZSA-N 1 1 269.392 3.037 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000903446247 621757987 /nfs/dbraw/zinc/75/79/87/621757987.db2.gz UYOWCTUSNNCAKE-MJGOQNOKSA-N 1 1 297.446 3.139 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(-c2cccc(C)c2)no1 ZINC000904522168 621929276 /nfs/dbraw/zinc/92/92/76/621929276.db2.gz UCEDQVCMRKQIMJ-ZDUSSCGKSA-N 1 1 257.337 3.401 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc([C@H]2CCOc3ccccc32)no1 ZINC000904601480 621943338 /nfs/dbraw/zinc/94/33/38/621943338.db2.gz DRWVORNBIOURKM-UONOGXRCSA-N 1 1 299.374 3.340 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2cnc3ccc(C)cn32)no1 ZINC000904720725 621956678 /nfs/dbraw/zinc/95/66/78/621956678.db2.gz FGIPJTYORHPERQ-GFCCVEGCSA-N 1 1 297.362 3.049 20 30 CGEDMO CCSc1ccc(C[NH2+]C[C@@H](C#N)CCC#N)cc1 ZINC000905776515 622104156 /nfs/dbraw/zinc/10/41/56/622104156.db2.gz FBUIYIRWXNRJDT-CQSZACIVSA-N 1 1 273.405 3.332 20 30 CGEDMO C=CC[C@H]([NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1)C(=O)OC ZINC000905768784 622108997 /nfs/dbraw/zinc/10/89/97/622108997.db2.gz UTPBMCHTOTZLBN-WOPDTQHZSA-N 1 1 293.329 3.062 20 30 CGEDMO C#CC[N@H+](CCc1scnc1C)Cc1ccc(F)cc1 ZINC000172075992 623216059 /nfs/dbraw/zinc/21/60/59/623216059.db2.gz OFPFQZHZQCVUCU-UHFFFAOYSA-N 1 1 288.391 3.269 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]Cc1c(C)noc1C ZINC000063550225 623335128 /nfs/dbraw/zinc/33/51/28/623335128.db2.gz ILDUOQYLJBKSOH-UHFFFAOYSA-N 1 1 272.348 3.146 20 30 CGEDMO CCc1ccccc1N=NC1C[N@H+](C2CC2)C[C@@H]1C ZINC000755892877 625643116 /nfs/dbraw/zinc/64/31/16/625643116.db2.gz MFTPNZJVCOXIAG-LBPRGKRZSA-N 1 1 257.381 3.131 20 30 CGEDMO Cc1cnc(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)s1 ZINC000174572800 623411690 /nfs/dbraw/zinc/41/16/90/623411690.db2.gz GNMHPZGTRCHXCS-LLVKDONJSA-N 1 1 287.388 3.032 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)[C@H]3CC[C@H](C)CC3)CCC[C@@H]12 ZINC000992423966 623554638 /nfs/dbraw/zinc/55/46/38/623554638.db2.gz ONBDKFYOSBPFIH-KONPQCLYSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2sccc2F)[C@H]1C ZINC000993263898 623997494 /nfs/dbraw/zinc/99/74/94/623997494.db2.gz KYIYDGMLHWUZHK-YPMHNXCESA-N 1 1 296.411 3.046 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2csc(C)c2C)[C@H]1C ZINC000993369175 624037250 /nfs/dbraw/zinc/03/72/50/624037250.db2.gz RMWVYZXMDHJBIY-IUODEOHRSA-N 1 1 292.448 3.134 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C2(C3CCC3)CCC2)[C@H]1C ZINC000993636843 624055547 /nfs/dbraw/zinc/05/55/47/624055547.db2.gz QNKXFWCVPMZGFZ-GDBMZVCRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C2CC3(CCC3)C2)[C@@H]1C ZINC000993714362 624058898 /nfs/dbraw/zinc/05/88/98/624058898.db2.gz ZKNXNLNZZCHAMG-GOEBONIOSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C2(C)CCCCC2)[C@H]1C ZINC000993742448 624060088 /nfs/dbraw/zinc/06/00/88/624060088.db2.gz MXNCUQLVMZMPCS-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C2CCC(=C)CC2)[C@@H]1C ZINC000993777452 624062430 /nfs/dbraw/zinc/06/24/30/624062430.db2.gz QRVBWEFHBQCTPA-DOTOQJQBSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2occc2Cl)[C@H]1C ZINC000993774475 624062875 /nfs/dbraw/zinc/06/28/75/624062875.db2.gz MIIUUIBWNXYQEH-DGCLKSJQSA-N 1 1 296.798 3.092 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)cccc2C)[C@@H]1C ZINC000993848680 624065555 /nfs/dbraw/zinc/06/55/55/624065555.db2.gz SFETWGFSOMPFIL-JKSUJKDBSA-N 1 1 286.419 3.072 20 30 CGEDMO CCN(CC)c1ncc(C=[NH+]NCc2ccccc2)s1 ZINC000916343816 624146976 /nfs/dbraw/zinc/14/69/76/624146976.db2.gz IKMOGEJNONADIJ-UHFFFAOYSA-N 1 1 288.420 3.113 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)[C@H]1C ZINC000994326308 624205439 /nfs/dbraw/zinc/20/54/39/624205439.db2.gz FOURZLFYLBTORO-HIFRSBDPSA-N 1 1 298.386 3.202 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C2CCC=CCC2)[C@@H]1C ZINC000994457664 624230663 /nfs/dbraw/zinc/23/06/63/624230663.db2.gz YMOBKPBVJJUJEU-DOTOQJQBSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C3CC3)cc2)[C@@H]1C ZINC000994457635 624230714 /nfs/dbraw/zinc/23/07/14/624230714.db2.gz YDYXIRFODTXHIN-KBXCAEBGSA-N 1 1 298.430 3.333 20 30 CGEDMO C[C@H](CNc1snc(Cl)c1C#N)[N@H+]1CCCC[C@H]1C ZINC000917065040 624232490 /nfs/dbraw/zinc/23/24/90/624232490.db2.gz RAJLKGBZVZZGCL-NXEZZACHSA-N 1 1 298.843 3.343 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C2CCC(C)(C)CC2)[C@H]1C ZINC000994498449 624242727 /nfs/dbraw/zinc/24/27/27/624242727.db2.gz TXXVVAJZBHWNPB-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1ccc(SC)cc1)C(C)C ZINC000917168094 624248645 /nfs/dbraw/zinc/24/86/45/624248645.db2.gz MDEDDFVGXHRNRC-UHFFFAOYSA-N 1 1 278.421 3.243 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1ccc(SC)cc1)C(C)C ZINC000917168094 624248649 /nfs/dbraw/zinc/24/86/49/624248649.db2.gz MDEDDFVGXHRNRC-UHFFFAOYSA-N 1 1 278.421 3.243 20 30 CGEDMO C=CC[N@@H+](Cn1ccn(C(C)C)c1=S)C(C)C ZINC000917481563 624273666 /nfs/dbraw/zinc/27/36/66/624273666.db2.gz ONHOBYGOQRECGC-UHFFFAOYSA-N 1 1 253.415 3.454 20 30 CGEDMO C=CC[N@H+](Cn1ccn(C(C)C)c1=S)C(C)C ZINC000917481563 624273667 /nfs/dbraw/zinc/27/36/67/624273667.db2.gz ONHOBYGOQRECGC-UHFFFAOYSA-N 1 1 253.415 3.454 20 30 CGEDMO C#CCCC[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000766902010 624394685 /nfs/dbraw/zinc/39/46/85/624394685.db2.gz CNHSZLMZNHESOG-DLBZAZTESA-N 1 1 252.361 3.172 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000930098587 624423932 /nfs/dbraw/zinc/42/39/32/624423932.db2.gz WWIWHMQKQXVIMH-SFHVURJKSA-N 1 1 298.430 3.424 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000920762512 624536809 /nfs/dbraw/zinc/53/68/09/624536809.db2.gz YRSIOIOCYSTRRQ-AWEZNQCLSA-N 1 1 278.193 3.089 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000179622226 624672543 /nfs/dbraw/zinc/67/25/43/624672543.db2.gz MNTYGHYADMBFKX-CQSZACIVSA-N 1 1 297.320 3.473 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCC[C@H]2CC)CC1 ZINC001001325966 625895546 /nfs/dbraw/zinc/89/55/46/625895546.db2.gz LJPIGUJWGHHXKP-IAGOWNOFSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC001016346922 625968917 /nfs/dbraw/zinc/96/89/17/625968917.db2.gz XMTUTDCKFLYMGC-RHSMWYFYSA-N 1 1 286.419 3.190 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001003524458 625982791 /nfs/dbraw/zinc/98/27/91/625982791.db2.gz CCRMYAZHCBCLHX-TZMCWYRMSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2CCCC2)CC1 ZINC001004322138 626037101 /nfs/dbraw/zinc/03/71/01/626037101.db2.gz BOBSAYCQLTZPSH-QGZVFWFLSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)F)CC1 ZINC001004324980 626039088 /nfs/dbraw/zinc/03/90/88/626039088.db2.gz JONARQNECKMEAL-HNNXBMFYSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2CCC2(C)C)CC1 ZINC001005848420 626112104 /nfs/dbraw/zinc/11/21/04/626112104.db2.gz NYMZMHLZKORQJT-CQSZACIVSA-N 1 1 298.858 3.098 20 30 CGEDMO C=CC[N@H+](C/C=C(\C)COC)Cc1cccc(C#N)c1 ZINC000929363753 626133477 /nfs/dbraw/zinc/13/34/77/626133477.db2.gz KCWFMYIKXLKHCM-OVCLIPMQSA-N 1 1 270.376 3.139 20 30 CGEDMO C#CC[N@@H+](CC)Cc1c(C)nc2scc(C3CC3)n12 ZINC000838806083 626251646 /nfs/dbraw/zinc/25/16/46/626251646.db2.gz NEVUGCLHMXYSNI-UHFFFAOYSA-N 1 1 273.405 3.037 20 30 CGEDMO C#CC[N@H+](CC)Cc1c(C)nc2scc(C3CC3)n12 ZINC000838806083 626251649 /nfs/dbraw/zinc/25/16/49/626251649.db2.gz NEVUGCLHMXYSNI-UHFFFAOYSA-N 1 1 273.405 3.037 20 30 CGEDMO C#CCCOc1ccc(C[NH+]2CC(CC(F)(F)F)C2)cc1 ZINC000839139082 626322652 /nfs/dbraw/zinc/32/26/52/626322652.db2.gz XQZIXTZFPYTKKI-UHFFFAOYSA-N 1 1 297.320 3.473 20 30 CGEDMO CC(=NN1CC[NH+](C)CC1)c1cc(Cl)sc1Cl ZINC000839384563 626343360 /nfs/dbraw/zinc/34/33/60/626343360.db2.gz XPNUDDRVOLDHKS-UHFFFAOYSA-N 1 1 292.235 3.026 20 30 CGEDMO Oc1ccccc1/C=[NH+]/CCc1ccn(-c2ccccc2)n1 ZINC000750949091 626371804 /nfs/dbraw/zinc/37/18/04/626371804.db2.gz RXBVCDRJYNQJLC-XMHGGMMESA-N 1 1 291.354 3.240 20 30 CGEDMO C[C@@H]([N@@H+](C)Cn1ccc(-c2ccc(C#N)cc2)n1)C1(C)CC1 ZINC000753112588 626445752 /nfs/dbraw/zinc/44/57/52/626445752.db2.gz VDJRGSNWWFUOIO-CQSZACIVSA-N 1 1 294.402 3.500 20 30 CGEDMO CCCCCCCCC(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000753710909 626463023 /nfs/dbraw/zinc/46/30/23/626463023.db2.gz ZVIQWMDZJAFDCV-HUUCEWRRSA-N 1 1 280.456 3.478 20 30 CGEDMO CC(C)[N@@H+]1CC(N=Nc2nc3ccccc3s2)[C@H](C)C1 ZINC000754253167 626565104 /nfs/dbraw/zinc/56/51/04/626565104.db2.gz AWPZJVAZFWFOBL-LLVKDONJSA-N 1 1 288.420 3.424 20 30 CGEDMO CC(C)[N@@H+]1CC(N=Nc2cccc(F)c2F)[C@@H](C)C1 ZINC000754258435 626565268 /nfs/dbraw/zinc/56/52/68/626565268.db2.gz IVGJYUGMXNLYGG-JTQLQIEISA-N 1 1 267.323 3.093 20 30 CGEDMO CC(C)[N@@H+]1CC(N=Nc2ccc(F)cc2F)[C@@H](C)C1 ZINC000754255758 626565449 /nfs/dbraw/zinc/56/54/49/626565449.db2.gz SCRSSHWFYBEOLK-JTQLQIEISA-N 1 1 267.323 3.093 20 30 CGEDMO C#CC[N@@H+](CC(=O)c1cc(C)n(C)c1C)C1CCCCC1 ZINC000754641811 626580084 /nfs/dbraw/zinc/58/00/84/626580084.db2.gz VBNKGISBXXXCMK-UHFFFAOYSA-N 1 1 286.419 3.093 20 30 CGEDMO C#CC[N@H+](CC(=O)c1cc(C)n(C)c1C)C1CCCCC1 ZINC000754641811 626580085 /nfs/dbraw/zinc/58/00/85/626580085.db2.gz VBNKGISBXXXCMK-UHFFFAOYSA-N 1 1 286.419 3.093 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@@H+]2CC[C@@H](CC)C2)c1O ZINC000754739620 626585729 /nfs/dbraw/zinc/58/57/29/626585729.db2.gz LOLSKZFHOVFRDH-CYBMUJFWSA-N 1 1 275.392 3.361 20 30 CGEDMO N#CCC[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000754822631 626589002 /nfs/dbraw/zinc/58/90/02/626589002.db2.gz ZQRYTWWVZYITJC-UHFFFAOYSA-N 1 1 284.334 3.408 20 30 CGEDMO CCCCCCCCNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000755078804 626599878 /nfs/dbraw/zinc/59/98/78/626599878.db2.gz RMOKKFNQEFRZIA-JKSUJKDBSA-N 1 1 297.487 3.471 20 30 CGEDMO C#CC[N@H+](CCOc1ccccc1F)C1CCCC1 ZINC000756911488 626740696 /nfs/dbraw/zinc/74/06/96/626740696.db2.gz KXIUZPKUFZIQJZ-UHFFFAOYSA-N 1 1 261.340 3.082 20 30 CGEDMO C#CC[N@@H+](CC(=O)c1cc(C)n(CC)c1C)C1CCCC1 ZINC000756911605 626740737 /nfs/dbraw/zinc/74/07/37/626740737.db2.gz UOCVRTRDWWRJED-UHFFFAOYSA-N 1 1 286.419 3.185 20 30 CGEDMO C#CC[N@H+](CC(=O)c1cc(C)n(CC)c1C)C1CCCC1 ZINC000756911605 626740740 /nfs/dbraw/zinc/74/07/40/626740740.db2.gz UOCVRTRDWWRJED-UHFFFAOYSA-N 1 1 286.419 3.185 20 30 CGEDMO C#CC[C@H]([NH2+]Cc1cccc(OCC)n1)c1ccccc1 ZINC000756997877 626745771 /nfs/dbraw/zinc/74/57/71/626745771.db2.gz PMEQTKFUYFWTDW-KRWDZBQOSA-N 1 1 280.371 3.335 20 30 CGEDMO C=C(Cl)C[NH2+][C@H](CC(=O)OC(C)C)c1ccccc1 ZINC000839553594 626759139 /nfs/dbraw/zinc/75/91/39/626759139.db2.gz SYFLPGXTLMXQFX-CQSZACIVSA-N 1 1 281.783 3.412 20 30 CGEDMO CC[N@H+](Cc1occc1C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000839661622 626772487 /nfs/dbraw/zinc/77/24/87/626772487.db2.gz PJAKOTPIQXNITC-MRXNPFEDSA-N 1 1 284.359 3.015 20 30 CGEDMO C[N@H+]1CCCC(N=Nc2ccc3ccccc3n2)CC1 ZINC000758092115 626826273 /nfs/dbraw/zinc/82/62/73/626826273.db2.gz GODDKJZTMVPCRB-UHFFFAOYSA-N 1 1 268.364 3.118 20 30 CGEDMO C=CC[N@H+](C[C@@H](O)c1ccc(Cl)c(F)c1)C1CC1 ZINC000759850966 626926425 /nfs/dbraw/zinc/92/64/25/626926425.db2.gz NLQDAIPGZIEERC-CQSZACIVSA-N 1 1 269.747 3.163 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1ccc2cc(OC)ccc2c1 ZINC000760820846 626994316 /nfs/dbraw/zinc/99/43/16/626994316.db2.gz REPQSVDNYJOCNY-UHFFFAOYSA-N 1 1 297.398 3.320 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](CCc1ccccc1)C1CC1 ZINC000760828181 626994869 /nfs/dbraw/zinc/99/48/69/626994869.db2.gz GVQIVOPGUJXTIL-QGZVFWFLSA-N 1 1 259.393 3.021 20 30 CGEDMO C#CCC[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000760843503 626995595 /nfs/dbraw/zinc/99/55/95/626995595.db2.gz KUXBRFXDEUSBJY-ZWKOTPCHSA-N 1 1 271.404 3.378 20 30 CGEDMO C=CCCCCCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000805220650 627022372 /nfs/dbraw/zinc/02/23/72/627022372.db2.gz ZVBHXHCMXHGGAW-GASCZTMLSA-N 1 1 266.429 3.112 20 30 CGEDMO C#CC[N@@H+](Cc1ccnc(OC)c1)[C@@H]1CCc2ccccc21 ZINC000762915635 627131820 /nfs/dbraw/zinc/13/18/20/627131820.db2.gz BNCYFOJDLSIZHE-GOSISDBHSA-N 1 1 292.382 3.213 20 30 CGEDMO C#CC[N@H+](Cc1ccnc(OC)c1)[C@@H]1CCc2ccccc21 ZINC000762915635 627131822 /nfs/dbraw/zinc/13/18/22/627131822.db2.gz BNCYFOJDLSIZHE-GOSISDBHSA-N 1 1 292.382 3.213 20 30 CGEDMO CC(C)CCC(N)=[NH+]OCCCOc1cccc(C#N)c1 ZINC000763178862 627143565 /nfs/dbraw/zinc/14/35/65/627143565.db2.gz FRGXVHTXLYGLOJ-UHFFFAOYSA-N 1 1 289.379 3.262 20 30 CGEDMO CC(C)(C)C[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000763409840 627157031 /nfs/dbraw/zinc/15/70/31/627157031.db2.gz UVAZAFLWAKGODV-DLBZAZTESA-N 1 1 286.419 3.492 20 30 CGEDMO C#CC[N@H+](C[C@@H](O)c1ccc(Cl)cc1Cl)C1CC1 ZINC000763960668 627187587 /nfs/dbraw/zinc/18/75/87/627187587.db2.gz SLBKWIBTBPUSKP-CQSZACIVSA-N 1 1 284.186 3.124 20 30 CGEDMO C#CC[N@@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1C)C1CC1 ZINC000764677847 627217869 /nfs/dbraw/zinc/21/78/69/627217869.db2.gz VBOJUVSJNPLRCR-UHFFFAOYSA-N 1 1 297.377 3.226 20 30 CGEDMO C#CC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1C)C1CC1 ZINC000764677847 627217871 /nfs/dbraw/zinc/21/78/71/627217871.db2.gz VBOJUVSJNPLRCR-UHFFFAOYSA-N 1 1 297.377 3.226 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OC)c2ccccc12)C1CC1 ZINC000764680759 627218096 /nfs/dbraw/zinc/21/80/96/627218096.db2.gz AGQFKVFXAAIKON-UHFFFAOYSA-N 1 1 265.356 3.446 20 30 CGEDMO CCN(CC)c1ccc(C[N@H+](C)C[C@H](C#N)CCC#N)cc1 ZINC000764824306 627227287 /nfs/dbraw/zinc/22/72/87/627227287.db2.gz CZAAZXWXIJPARG-KRWDZBQOSA-N 1 1 298.434 3.408 20 30 CGEDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@H](C#N)CCC#N)cc1 ZINC000764824306 627227288 /nfs/dbraw/zinc/22/72/88/627227288.db2.gz CZAAZXWXIJPARG-KRWDZBQOSA-N 1 1 298.434 3.408 20 30 CGEDMO CCC#C[C@@H](C)[N@@H+](CC)C[C@@H](O)c1ccc(C)cc1 ZINC000765498343 627253711 /nfs/dbraw/zinc/25/37/11/627253711.db2.gz AXMFVKGBPPSUFO-NVXWUHKLSA-N 1 1 259.393 3.152 20 30 CGEDMO FC(F)(F)c1ccc(CON=C2CC[N@H+]3CCC[C@@H]23)cc1 ZINC000765584509 627261085 /nfs/dbraw/zinc/26/10/85/627261085.db2.gz PADORZSQNHFUMT-AWEZNQCLSA-N 1 1 298.308 3.446 20 30 CGEDMO C#CCCC[N@@H+]1CCCC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000766896137 627367484 /nfs/dbraw/zinc/36/74/84/627367484.db2.gz QHUKMKMBLVSJDQ-CABCVRRESA-N 1 1 294.439 3.168 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000766894598 627367673 /nfs/dbraw/zinc/36/76/73/627367673.db2.gz FFOWFRHCRSZEJZ-MRXNPFEDSA-N 1 1 273.376 3.254 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000766895245 627367693 /nfs/dbraw/zinc/36/76/93/627367693.db2.gz BYLYSBBTTNMWOU-MRXNPFEDSA-N 1 1 273.376 3.254 20 30 CGEDMO C#CCCC[N@H+](CC)Cc1cc(Br)ccc1O ZINC000766901965 627369217 /nfs/dbraw/zinc/36/92/17/627369217.db2.gz BEIGHRLGZUTRQH-UHFFFAOYSA-N 1 1 296.208 3.390 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000766923364 627370805 /nfs/dbraw/zinc/37/08/05/627370805.db2.gz NFIINBLWGZVLON-CYBMUJFWSA-N 1 1 261.390 3.199 20 30 CGEDMO C#CCN(CC[C@H]1CCC[N@@H+]1C)[C@@H]1CCc2ccccc21 ZINC000767363928 627401379 /nfs/dbraw/zinc/40/13/79/627401379.db2.gz MDGBMBMXUDRGHC-IEBWSBKVSA-N 1 1 282.431 3.093 20 30 CGEDMO CC[N@@H+](CCC(=O)C1CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000767363933 627401830 /nfs/dbraw/zinc/40/18/30/627401830.db2.gz MEKMLYMLNWFQOQ-CYBMUJFWSA-N 1 1 270.376 3.310 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@@H]2CC)cc1 ZINC000769011567 627516902 /nfs/dbraw/zinc/51/69/02/627516902.db2.gz YCYDSSOCLRZZRW-INIZCTEOSA-N 1 1 257.377 3.463 20 30 CGEDMO CC(=NNCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000769821734 627581229 /nfs/dbraw/zinc/58/12/29/627581229.db2.gz MCXXCSJLCJNXEP-CQSZACIVSA-N 1 1 299.340 3.036 20 30 CGEDMO Cc1cccc(F)c1N=NC1C[N@@H+](C2CC2)C[C@H]1C ZINC000769827494 627582229 /nfs/dbraw/zinc/58/22/29/627582229.db2.gz ALRWEWRDCVOJDL-LLVKDONJSA-N 1 1 261.344 3.016 20 30 CGEDMO C=CC[C@@H]1[N@@H+](C/C=C(\C)C(=O)OC)CCCC1(C)C ZINC000769953161 627592460 /nfs/dbraw/zinc/59/24/60/627592460.db2.gz JAACGSUXIKIVMP-SSUFTNFISA-N 1 1 265.397 3.172 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000769962351 627593068 /nfs/dbraw/zinc/59/30/68/627593068.db2.gz XQWMTAGZBSNLCZ-VIFPVBQESA-N 1 1 282.174 3.095 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000769962351 627593072 /nfs/dbraw/zinc/59/30/72/627593072.db2.gz XQWMTAGZBSNLCZ-VIFPVBQESA-N 1 1 282.174 3.095 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000769960986 627593300 /nfs/dbraw/zinc/59/33/00/627593300.db2.gz JWVNMVWMSPPXTH-CYBMUJFWSA-N 1 1 273.376 3.095 20 30 CGEDMO C=C(Br)C[N@@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000771465349 627711504 /nfs/dbraw/zinc/71/15/04/627711504.db2.gz UANIHMFGCCEANT-SNVBAGLBSA-N 1 1 258.203 3.407 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H]1CCCc2oc(C(=O)OCC)c(C)c21 ZINC000774255789 627969204 /nfs/dbraw/zinc/96/92/04/627969204.db2.gz WDEFYGIZVRSQCF-LLVKDONJSA-N 1 1 297.782 3.484 20 30 CGEDMO CCOCCO[NH+]=Cc1c(Cl)cccc1N1CCCC1 ZINC000774431055 627989075 /nfs/dbraw/zinc/98/90/75/627989075.db2.gz DSKLIAQKDUDUBF-UHFFFAOYSA-N 1 1 296.798 3.327 20 30 CGEDMO C=CCCC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775051228 628057073 /nfs/dbraw/zinc/05/70/73/628057073.db2.gz PKKDYNIQQXYYIK-NSHDSACASA-N 1 1 294.351 3.143 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1cc(C)c(OC(F)F)c(C)c1 ZINC000775184038 628070452 /nfs/dbraw/zinc/07/04/52/628070452.db2.gz SVOFIQLUEJODSD-LBPRGKRZSA-N 1 1 267.319 3.358 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000775184030 628071232 /nfs/dbraw/zinc/07/12/32/628071232.db2.gz SQGUFYXLXMALPD-JTQLQIEISA-N 1 1 289.272 3.220 20 30 CGEDMO C#CC[C@@H]([NH2+]Cc1cc(C)c(C(=O)OC)o1)c1ccccc1 ZINC000775399432 628090810 /nfs/dbraw/zinc/09/08/10/628090810.db2.gz RHCBXLAOFGAYFG-MRXNPFEDSA-N 1 1 297.354 3.229 20 30 CGEDMO C=C(C)[C@@H]([NH2+]C/C=C(\C)C(=O)OC)c1ccc(F)c(F)c1 ZINC000775725563 628129532 /nfs/dbraw/zinc/12/95/32/628129532.db2.gz UQNRTHFORFWFMJ-XKOZXHHJSA-N 1 1 295.329 3.291 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CC[C@@H]2C(C)C)cc1 ZINC000775765011 628134647 /nfs/dbraw/zinc/13/46/47/628134647.db2.gz MXGMHBOZJZILRT-QGZVFWFLSA-N 1 1 257.377 3.319 20 30 CGEDMO Cc1cc(F)ccc1N[NH+]=Cc1cnccc1N(C)C ZINC000776188301 628178024 /nfs/dbraw/zinc/17/80/24/628178024.db2.gz YVBOLKNMJXWJGT-UHFFFAOYSA-N 1 1 272.327 3.041 20 30 CGEDMO CN(C)c1ccc(C=[NH+]OC2CCCCC2)s1 ZINC000777456719 628272512 /nfs/dbraw/zinc/27/25/12/628272512.db2.gz FUSQTGFCGDUBEJ-UHFFFAOYSA-N 1 1 252.383 3.497 20 30 CGEDMO Cc1[nH+]c(C=NOC2CCCCC2)c2ccccn12 ZINC000777457387 628272827 /nfs/dbraw/zinc/27/28/27/628272827.db2.gz SGANOANVFQDFHX-UHFFFAOYSA-N 1 1 257.337 3.326 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@H+]2CC[C@H](C)[C@H](F)C2)c1O ZINC000777964718 628316020 /nfs/dbraw/zinc/31/60/20/628316020.db2.gz RXFVFUOSBFSVND-BLLLJJGKSA-N 1 1 293.382 3.309 20 30 CGEDMO CC(=NNc1cc[nH+]cc1)c1cccc(OC(F)(F)F)c1 ZINC000779808213 628433394 /nfs/dbraw/zinc/43/33/94/628433394.db2.gz DLAZBYZVRRZGSL-UHFFFAOYSA-N 1 1 295.264 3.238 20 30 CGEDMO C(=NNc1cc[nH+]cc1)c1cccc(-c2ccccn2)c1 ZINC000779811328 628434438 /nfs/dbraw/zinc/43/44/38/628434438.db2.gz PTYBYVPOQVNKSI-UHFFFAOYSA-N 1 1 274.327 3.012 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@@H]2CCc3c2c(F)ccc3F)nc1 ZINC000780328719 628482492 /nfs/dbraw/zinc/48/24/92/628482492.db2.gz CYQKIBHOPGSZGE-OAHLLOKOSA-N 1 1 285.297 3.009 20 30 CGEDMO C[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)[NH+]1CCCCC1 ZINC000781420973 628558740 /nfs/dbraw/zinc/55/87/40/628558740.db2.gz NHAKMVNYONEBEU-KGLIPLIRSA-N 1 1 289.398 3.222 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1cc(C)cc(Br)c1O ZINC000781921824 628605902 /nfs/dbraw/zinc/60/59/02/628605902.db2.gz WSFWLMDSDYPPRB-UHFFFAOYSA-N 1 1 284.197 3.471 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cc(C)cc(Br)c1O ZINC000781921824 628605904 /nfs/dbraw/zinc/60/59/04/628605904.db2.gz WSFWLMDSDYPPRB-UHFFFAOYSA-N 1 1 284.197 3.471 20 30 CGEDMO C#CCCC[N@H+]1[C@H](C)Cc2cc(OC)ccc2[C@H]1C ZINC000782097406 628615380 /nfs/dbraw/zinc/61/53/80/628615380.db2.gz JTOCKRZLHIUFIB-ZIAGYGMSSA-N 1 1 257.377 3.416 20 30 CGEDMO CC(C)[N@@H+]1CC(N=Nc2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000783877716 628754396 /nfs/dbraw/zinc/75/43/96/628754396.db2.gz NLPDVMDPFVQXGX-LLVKDONJSA-N 1 1 290.798 3.340 20 30 CGEDMO Cc1cc(O)c(C[N@H+]2CCC[C@](C)(C#N)C2)cc1C ZINC000784012987 628765664 /nfs/dbraw/zinc/76/56/64/628765664.db2.gz LAPBXQUNYISAJD-MRXNPFEDSA-N 1 1 258.365 3.135 20 30 CGEDMO C[N@H+](Cc1ccc(OCC#N)cc1)C[C@H]1CC=CCC1 ZINC000784386651 628811901 /nfs/dbraw/zinc/81/19/01/628811901.db2.gz ZYLBDDJUTPGKSY-HNNXBMFYSA-N 1 1 270.376 3.377 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000784571718 628822658 /nfs/dbraw/zinc/82/26/58/628822658.db2.gz KSEWAMAQAKEKRD-LSDHHAIUSA-N 1 1 267.413 3.206 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000785998277 628906437 /nfs/dbraw/zinc/90/64/37/628906437.db2.gz BNMHYNRCUMHVLH-SFHVURJKSA-N 1 1 298.430 3.463 20 30 CGEDMO CC(=NNc1cc[nH+]cc1)c1csc(Cl)c1 ZINC000787163125 628997166 /nfs/dbraw/zinc/99/71/66/628997166.db2.gz SOVKMMFEMMTQDY-UHFFFAOYSA-N 1 1 251.742 3.055 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)CC2CCCCCC2)n1 ZINC000789329629 629124639 /nfs/dbraw/zinc/12/46/39/629124639.db2.gz PHSHYHNDARDDQK-UHFFFAOYSA-N 1 1 273.424 3.309 20 30 CGEDMO C=CC[N@H+](C(C)C)[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000790266887 629198746 /nfs/dbraw/zinc/19/87/46/629198746.db2.gz RHVZSCNLKVGTGL-KRWDZBQOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[C@@H]([NH2+]Cc1cn2cc(C)ccc2n1)c1ccncc1 ZINC000790542439 629216566 /nfs/dbraw/zinc/21/65/66/629216566.db2.gz FVVCEDWZZGKIGV-QGZVFWFLSA-N 1 1 292.386 3.445 20 30 CGEDMO Cc1c(F)nccc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000862221076 629325536 /nfs/dbraw/zinc/32/55/36/629325536.db2.gz QNNQCQBZZWCMEF-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO Cc1c(F)nccc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000862221076 629325540 /nfs/dbraw/zinc/32/55/40/629325540.db2.gz QNNQCQBZZWCMEF-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO C#CC[N@@H+](CC)Cc1cccc(F)c1OCC(F)(F)F ZINC000862233175 629327746 /nfs/dbraw/zinc/32/77/46/629327746.db2.gz HVAMXQCCUKHDDE-UHFFFAOYSA-N 1 1 289.272 3.222 20 30 CGEDMO C#CC[N@H+](CC)Cc1cccc(F)c1OCC(F)(F)F ZINC000862233175 629327749 /nfs/dbraw/zinc/32/77/49/629327749.db2.gz HVAMXQCCUKHDDE-UHFFFAOYSA-N 1 1 289.272 3.222 20 30 CGEDMO C[N@H+]1CC[C@H](Nc2ccc(F)cc2OCC#N)CC1(C)C ZINC000862303138 629343103 /nfs/dbraw/zinc/34/31/03/629343103.db2.gz KYQXGJDLLNBNRS-ZDUSSCGKSA-N 1 1 291.370 3.013 20 30 CGEDMO C#CC[N@@H+](Cc1ccsc1C(F)(F)F)C1CC1 ZINC000862325648 629343842 /nfs/dbraw/zinc/34/38/42/629343842.db2.gz DQJKMHUGCWRWJM-UHFFFAOYSA-N 1 1 259.296 3.365 20 30 CGEDMO C#CC[N@H+](Cc1ccsc1C(F)(F)F)C1CC1 ZINC000862325648 629343848 /nfs/dbraw/zinc/34/38/48/629343848.db2.gz DQJKMHUGCWRWJM-UHFFFAOYSA-N 1 1 259.296 3.365 20 30 CGEDMO CCCCCCCCCN1CC[NH+](C(C)(C)CO)CC1 ZINC000792249540 629352428 /nfs/dbraw/zinc/35/24/28/629352428.db2.gz SEVVFIDLOSPQPL-UHFFFAOYSA-N 1 1 284.488 3.126 20 30 CGEDMO C#CC[N@@H+](C)Cc1cc(Cl)ccc1OC(F)F ZINC000792302057 629354863 /nfs/dbraw/zinc/35/48/63/629354863.db2.gz MOAIJWNESLOBIE-UHFFFAOYSA-N 1 1 259.683 3.006 20 30 CGEDMO C#CC[N@H+](C)Cc1cc(Cl)ccc1OC(F)F ZINC000792302057 629354864 /nfs/dbraw/zinc/35/48/64/629354864.db2.gz MOAIJWNESLOBIE-UHFFFAOYSA-N 1 1 259.683 3.006 20 30 CGEDMO CCCCCCCCC[N@H+]1CCOC[C@@H]1C[C@H](C)O ZINC000792292252 629355074 /nfs/dbraw/zinc/35/50/74/629355074.db2.gz VVYGJSQKWJTAIZ-HOTGVXAUSA-N 1 1 271.445 3.209 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(OC)c(OC3CC3)c2)C1 ZINC000862401193 629363665 /nfs/dbraw/zinc/36/36/65/629363665.db2.gz AWWROWSPBDUIET-AWEZNQCLSA-N 1 1 285.387 3.082 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1ccsc1C(F)(F)F ZINC000862418891 629369565 /nfs/dbraw/zinc/36/95/65/629369565.db2.gz RUBILBNUYNTSFX-UHFFFAOYSA-N 1 1 291.338 3.239 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000862440733 629373232 /nfs/dbraw/zinc/37/32/32/629373232.db2.gz KSGFYXMZZMRESO-HUUCEWRRSA-N 1 1 270.376 3.375 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](C/C=C\c2ccccc2OC)C1 ZINC000862444493 629377928 /nfs/dbraw/zinc/37/79/28/629377928.db2.gz AVFWGOAURNRCQB-WUKHSURWSA-N 1 1 255.361 3.054 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000862448474 629380976 /nfs/dbraw/zinc/38/09/76/629380976.db2.gz ZGHLKTXXRAKUOP-LBPRGKRZSA-N 1 1 263.768 3.199 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1C[C@@H](c2ccccc2)OC1=O ZINC000863269778 629516470 /nfs/dbraw/zinc/51/64/70/629516470.db2.gz JMORHKHYEVXXFJ-BBWFWOEESA-N 1 1 298.386 3.320 20 30 CGEDMO CC(C)[N@@H+](CCO[C@H](C)C#N)[C@@H](C)c1ccccc1 ZINC000794694193 629567848 /nfs/dbraw/zinc/56/78/48/629567848.db2.gz ZSYKKUOMQNIULK-CABCVRRESA-N 1 1 260.381 3.387 20 30 CGEDMO Cc1ccoc1C[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000795160615 629638327 /nfs/dbraw/zinc/63/83/27/629638327.db2.gz GBJWAWKPOPVVSL-UHFFFAOYSA-N 1 1 270.332 3.122 20 30 CGEDMO C=C(C)C[N@H+](CCC(=O)C(C)(C)C)Cc1ccc(CO)o1 ZINC000796382568 629773723 /nfs/dbraw/zinc/77/37/23/629773723.db2.gz CJTCMWSVMQILKM-UHFFFAOYSA-N 1 1 293.407 3.155 20 30 CGEDMO C=C(C)C[N@@H+](CCC(=O)C(C)(C)C)Cc1ccc(CO)o1 ZINC000796382568 629773725 /nfs/dbraw/zinc/77/37/25/629773725.db2.gz CJTCMWSVMQILKM-UHFFFAOYSA-N 1 1 293.407 3.155 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)CC1CCC2(CC1)OCCO2 ZINC000796632419 629808236 /nfs/dbraw/zinc/80/82/36/629808236.db2.gz LPDXYGSYITTYAV-UHFFFAOYSA-N 1 1 299.414 3.055 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccc(F)cc1C ZINC000796639207 629809137 /nfs/dbraw/zinc/80/91/37/629809137.db2.gz JSXJYHPBGBCJJO-LJQANCHMSA-N 1 1 297.373 3.303 20 30 CGEDMO Oc1ccc(Cl)cc1/C=N/C[C@H]1CC[N@H+]1C1CCCC1 ZINC000864346135 629815245 /nfs/dbraw/zinc/81/52/45/629815245.db2.gz ONBVKJROMNEKAN-BFERYNQYSA-N 1 1 292.810 3.481 20 30 CGEDMO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000797878512 629994922 /nfs/dbraw/zinc/99/49/22/629994922.db2.gz YNTMUGGVRMFALA-ZUZCIYMTSA-N 1 1 299.773 3.256 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3ccccn3)C2)s1 ZINC000798964873 630130634 /nfs/dbraw/zinc/13/06/34/630130634.db2.gz NJJOQGNOADTSNH-LBPRGKRZSA-N 1 1 269.373 3.004 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](c3ccccn3)C2)c1F ZINC000799192666 630155225 /nfs/dbraw/zinc/15/52/25/630155225.db2.gz CAMSYWJDDFOLOU-CQSZACIVSA-N 1 1 281.334 3.082 20 30 CGEDMO C=CC[C@H]1[N@H+](C[C@H](O)c2ccc(F)cn2)CCCC1(C)C ZINC000799324661 630167317 /nfs/dbraw/zinc/16/73/17/630167317.db2.gz VKWMETXEAZTWJR-JKSUJKDBSA-N 1 1 292.398 3.321 20 30 CGEDMO C=CCOc1ccc(C[NH2+]Cc2cn(C3CC3)cn2)cc1 ZINC000865566461 630193082 /nfs/dbraw/zinc/19/30/82/630193082.db2.gz ZLFRXCIZAQBAKU-UHFFFAOYSA-N 1 1 283.375 3.073 20 30 CGEDMO Cc1ccc([C@@H]2CCC[N@@H+]2CCO[C@H](C)C#N)cc1 ZINC000801909570 630364222 /nfs/dbraw/zinc/36/42/22/630364222.db2.gz OONJKIXVAVTWHQ-ZBFHGGJFSA-N 1 1 258.365 3.061 20 30 CGEDMO Cc1ccc(C[N@H+](CCO[C@H](C)C#N)C(C)C)s1 ZINC000801914690 630364870 /nfs/dbraw/zinc/36/48/70/630364870.db2.gz DDVXXBUORPJYQC-GFCCVEGCSA-N 1 1 266.410 3.196 20 30 CGEDMO CC[N@@H+](CCO[C@H](C)C#N)[C@@H](C)c1cccc(OC)c1 ZINC000801915448 630365561 /nfs/dbraw/zinc/36/55/61/630365561.db2.gz LKDVTDXQNYGPGE-KGLIPLIRSA-N 1 1 276.380 3.007 20 30 CGEDMO CC(C)[C@H](c1ccccc1)[N@@H+](C)CCO[C@H](C)C#N ZINC000801919738 630366786 /nfs/dbraw/zinc/36/67/86/630366786.db2.gz JIFCIGBPBMUCCE-GDBMZVCRSA-N 1 1 260.381 3.244 20 30 CGEDMO C#CC[N@H+](C[C@H](OC)c1ccccc1)C1CCCC1 ZINC000801927008 630368531 /nfs/dbraw/zinc/36/85/31/630368531.db2.gz FWDPRZVZJMMWHM-KRWDZBQOSA-N 1 1 257.377 3.252 20 30 CGEDMO CC(C)[C@@H]1c2ccccc2CC[N@@H+]1CCO[C@@H](C)C#N ZINC000801928427 630368637 /nfs/dbraw/zinc/36/86/37/630368637.db2.gz BEVAUHCBSKWENH-WMLDXEAASA-N 1 1 272.392 3.170 20 30 CGEDMO Cc1ccc([C@H]2CC[N@H+](CCO[C@H](C)C#N)C2)c(C)c1 ZINC000801952134 630372474 /nfs/dbraw/zinc/37/24/74/630372474.db2.gz OKKDCQJZCGURBN-CVEARBPZSA-N 1 1 272.392 3.021 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)CN1C[C@H](C)[C@H](C)C1=O ZINC000840059631 630559444 /nfs/dbraw/zinc/55/94/44/630559444.db2.gz BEKXBWBQFHSBLE-HOTGVXAUSA-N 1 1 286.419 3.137 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)CN1C[C@H](C)[C@H](C)C1=O ZINC000840059631 630559445 /nfs/dbraw/zinc/55/94/45/630559445.db2.gz BEKXBWBQFHSBLE-HOTGVXAUSA-N 1 1 286.419 3.137 20 30 CGEDMO C=CCc1cc(C[N@H+](C)CC(C)(C)C#N)c(O)c(OC)c1 ZINC000840072570 630575079 /nfs/dbraw/zinc/57/50/79/630575079.db2.gz HKMXUYBPBAMLEO-UHFFFAOYSA-N 1 1 288.391 3.111 20 30 CGEDMO C=CCc1cc(C[N@@H+](C)CC(C)(C)C#N)c(O)c(OC)c1 ZINC000840072570 630575083 /nfs/dbraw/zinc/57/50/83/630575083.db2.gz HKMXUYBPBAMLEO-UHFFFAOYSA-N 1 1 288.391 3.111 20 30 CGEDMO Cc1cc2ncn(C[N@@H+](C)CC(C)(C)C#N)c2cc1C ZINC000840073121 630575784 /nfs/dbraw/zinc/57/57/84/630575784.db2.gz LGCKPVGDUIRACA-UHFFFAOYSA-N 1 1 270.380 3.092 20 30 CGEDMO Cc1cc2ncn(C[N@H+](C)CC(C)(C)C#N)c2cc1C ZINC000840073121 630575789 /nfs/dbraw/zinc/57/57/89/630575789.db2.gz LGCKPVGDUIRACA-UHFFFAOYSA-N 1 1 270.380 3.092 20 30 CGEDMO C=CCCCCCCNC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000807571918 630593952 /nfs/dbraw/zinc/59/39/52/630593952.db2.gz UYTHTMVRJWBNQN-INIZCTEOSA-N 1 1 295.471 3.105 20 30 CGEDMO CCSCC(=NNc1cc[nH+]cc1)c1ccccc1 ZINC000807981359 630610917 /nfs/dbraw/zinc/61/09/17/630610917.db2.gz MHFIZKYSJXHEGZ-UHFFFAOYSA-N 1 1 271.389 3.073 20 30 CGEDMO C[C@H](c1ccccc1Cl)[N@H+](C[C@H](O)CC#N)C1CC1 ZINC000809573301 630752494 /nfs/dbraw/zinc/75/24/94/630752494.db2.gz HIAVOEVPJVVVIV-DGCLKSJQSA-N 1 1 278.783 3.140 20 30 CGEDMO C[C@H](c1ccccc1Cl)[N@@H+](C[C@H](O)CC#N)C1CC1 ZINC000809573301 630752498 /nfs/dbraw/zinc/75/24/98/630752498.db2.gz HIAVOEVPJVVVIV-DGCLKSJQSA-N 1 1 278.783 3.140 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)Cc2cc(Cl)cn2C)cc1 ZINC000809594527 630756835 /nfs/dbraw/zinc/75/68/35/630756835.db2.gz YOBSFPLRDNYHAQ-UHFFFAOYSA-N 1 1 272.779 3.292 20 30 CGEDMO C#Cc1ccc(C[NH2+]Cc2nc3cc(C)ccc3[nH]2)cc1 ZINC000809624000 630765343 /nfs/dbraw/zinc/76/53/43/630765343.db2.gz GFVLFZIUFZRBBL-UHFFFAOYSA-N 1 1 275.355 3.142 20 30 CGEDMO C#Cc1ccc(C[NH2+]Cc2nc3ccc(C)cc3[nH]2)cc1 ZINC000809624000 630765353 /nfs/dbraw/zinc/76/53/53/630765353.db2.gz GFVLFZIUFZRBBL-UHFFFAOYSA-N 1 1 275.355 3.142 20 30 CGEDMO C#Cc1ccc(C[NH2+]Cc2nc3cccc(C)c3[nH]2)cc1 ZINC000809630135 630767934 /nfs/dbraw/zinc/76/79/34/630767934.db2.gz MXORROKBKURBCT-UHFFFAOYSA-N 1 1 275.355 3.142 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H](C(C)(C)C(=O)OC)C2)cc1 ZINC000809636538 630770262 /nfs/dbraw/zinc/77/02/62/630770262.db2.gz YABJNNLCYPGIJW-KRWDZBQOSA-N 1 1 299.414 3.079 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)cc1 ZINC000809758297 630801123 /nfs/dbraw/zinc/80/11/23/630801123.db2.gz ISQWIMHUOFKHNV-RBUKOAKNSA-N 1 1 283.415 3.307 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C(C)(C)C ZINC000809781545 630806549 /nfs/dbraw/zinc/80/65/49/630806549.db2.gz VUEQIJRFXLOXFV-GFCCVEGCSA-N 1 1 269.747 3.322 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)cc1 ZINC000811510738 631080565 /nfs/dbraw/zinc/08/05/65/631080565.db2.gz NVSVMSQUEMERPA-ZWKOTPCHSA-N 1 1 299.414 3.088 20 30 CGEDMO CC[C@H](C)NN=C1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000811647906 631097314 /nfs/dbraw/zinc/09/73/14/631097314.db2.gz AOQZWZIOKRUTCO-KBPBESRZSA-N 1 1 259.397 3.025 20 30 CGEDMO CC[C@H](C)NN=C1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000811647906 631097317 /nfs/dbraw/zinc/09/73/17/631097317.db2.gz AOQZWZIOKRUTCO-KBPBESRZSA-N 1 1 259.397 3.025 20 30 CGEDMO C#C[C@H]([NH2+]Cc1ccc(OC)c(C#N)c1)c1ccc(F)cc1 ZINC000812793773 631312112 /nfs/dbraw/zinc/31/21/12/631312112.db2.gz DLLDVKLPAZECDO-KRWDZBQOSA-N 1 1 294.329 3.170 20 30 CGEDMO CCC[N@H+](Cc1cc(C#N)cnc1Cl)CC1CC1 ZINC000876510345 634848633 /nfs/dbraw/zinc/84/86/33/634848633.db2.gz MAHGCDAJRYQMQB-UHFFFAOYSA-N 1 1 263.772 3.229 20 30 CGEDMO CCC(CC)CN[NH+]=C(C)c1cc(F)c(N)c(F)c1 ZINC000814906449 631674776 /nfs/dbraw/zinc/67/47/76/631674776.db2.gz VSELFLPBAUBOOI-UHFFFAOYSA-N 1 1 269.339 3.297 20 30 CGEDMO C[C@H]1CC(N=Nc2ccc(F)c(F)c2F)C[N@H+]1C1CC1 ZINC000814946614 631696043 /nfs/dbraw/zinc/69/60/43/631696043.db2.gz STROIUNPDOOKJC-QMMMGPOBSA-N 1 1 283.297 3.128 20 30 CGEDMO C=CC[N@@H+](Cc1ccnc(Br)c1)C(C)C ZINC000815021456 631705044 /nfs/dbraw/zinc/70/50/44/631705044.db2.gz OXJAEHCKWVOGOW-UHFFFAOYSA-N 1 1 269.186 3.241 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OCC#N)[C@@H]1C ZINC000815162984 631733867 /nfs/dbraw/zinc/73/38/67/631733867.db2.gz NRJWHGBWSJWVNU-GHMZBOCLSA-N 1 1 264.756 3.083 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC#N)[C@@H]1C ZINC000815162984 631733869 /nfs/dbraw/zinc/73/38/69/631733869.db2.gz NRJWHGBWSJWVNU-GHMZBOCLSA-N 1 1 264.756 3.083 20 30 CGEDMO C#CC[N@@H+](C)CCCN[C@H](CCC(C)C)c1ccoc1 ZINC000815652617 631813349 /nfs/dbraw/zinc/81/33/49/631813349.db2.gz JWDBYVMHXAGJSO-QGZVFWFLSA-N 1 1 276.424 3.302 20 30 CGEDMO C#CC[N@H+](C)CCCN[C@H](CCC(C)C)c1ccoc1 ZINC000815652617 631813350 /nfs/dbraw/zinc/81/33/50/631813350.db2.gz JWDBYVMHXAGJSO-QGZVFWFLSA-N 1 1 276.424 3.302 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2C[C@H](C)[C@@H]2C)cc1OC ZINC000816649183 632036705 /nfs/dbraw/zinc/03/67/05/632036705.db2.gz VKVPNMIFFGQSMK-STQMWFEESA-N 1 1 261.365 3.100 20 30 CGEDMO C[C@H](O)[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccccc1 ZINC000866393122 633120111 /nfs/dbraw/zinc/12/01/11/633120111.db2.gz KURZFTFIHLPCAA-GDZNZVCISA-N 1 1 296.370 3.037 20 30 CGEDMO C[C@@H]([NH2+]Cc1nn(C)cc1C(F)F)c1cccc(C#N)c1 ZINC000866565128 633196970 /nfs/dbraw/zinc/19/69/70/633196970.db2.gz IHORFXQXVQBMRQ-SNVBAGLBSA-N 1 1 290.317 3.080 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(C(=O)OCc2ccccc2)[nH]1 ZINC000824251106 633216944 /nfs/dbraw/zinc/21/69/44/633216944.db2.gz XXQNISBBBZPORA-UHFFFAOYSA-N 1 1 298.386 3.380 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(O[C@@H]2CCOC2)cc1)C(C)C ZINC000824580642 633261562 /nfs/dbraw/zinc/26/15/62/633261562.db2.gz HNEXLBMGRUDAAK-QGZVFWFLSA-N 1 1 275.392 3.251 20 30 CGEDMO C#CCCCCCC(=O)N1CC[NH2+][C@H](c2ccccc2C)C1 ZINC000825170182 633333583 /nfs/dbraw/zinc/33/35/83/633333583.db2.gz UGUZWOQBEDOGHX-SFHVURJKSA-N 1 1 298.430 3.052 20 30 CGEDMO C#CC[N@H+](Cc1ccc(F)c(C#N)c1)C1CCCC1 ZINC000122209483 633339582 /nfs/dbraw/zinc/33/95/82/633339582.db2.gz IEYWPOWOPXLBAH-UHFFFAOYSA-N 1 1 256.324 3.075 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(Br)cc1O ZINC000825652829 633370565 /nfs/dbraw/zinc/37/05/65/633370565.db2.gz YWXCSYDLRWYYEB-UHFFFAOYSA-N 1 1 270.170 3.163 20 30 CGEDMO C[C@@H]([NH2+]CC(C)(C)C#N)c1ccc2c(c1)OCCCO2 ZINC000122334900 633376852 /nfs/dbraw/zinc/37/68/52/633376852.db2.gz OJEVXRHDCAEUAC-GFCCVEGCSA-N 1 1 274.364 3.048 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc(/C=C\C(=O)OC)o2)C1 ZINC000826946512 633444998 /nfs/dbraw/zinc/44/49/98/633444998.db2.gz IOMUPOLPRLGTCO-CFYYFVFUSA-N 1 1 289.375 3.254 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000826948504 633445689 /nfs/dbraw/zinc/44/56/89/633445689.db2.gz ZVJSPFPYEICXOF-ZDUSSCGKSA-N 1 1 261.365 3.189 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000826948453 633445872 /nfs/dbraw/zinc/44/58/72/633445872.db2.gz YXOOIQSDHXYOLZ-ZDUSSCGKSA-N 1 1 261.365 3.189 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000871188225 633718740 /nfs/dbraw/zinc/71/87/40/633718740.db2.gz MJZXFRSMDMKADB-QGZVFWFLSA-N 1 1 286.419 3.042 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2cc(-c3ccco3)on2)C1 ZINC000829769371 633778949 /nfs/dbraw/zinc/77/89/49/633778949.db2.gz TUQRORWXKNOEIF-ZDUSSCGKSA-N 1 1 270.332 3.170 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000829775168 633781388 /nfs/dbraw/zinc/78/13/88/633781388.db2.gz YUBMUEIVOAAOKA-IAGOWNOFSA-N 1 1 298.430 3.366 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2cnc(Cl)s2)C1 ZINC000829788548 633784024 /nfs/dbraw/zinc/78/40/24/633784024.db2.gz AFBOHDQWEBUFCQ-SNVBAGLBSA-N 1 1 254.786 3.032 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cnc(Cl)s2)C1 ZINC000829788548 633784032 /nfs/dbraw/zinc/78/40/32/633784032.db2.gz AFBOHDQWEBUFCQ-SNVBAGLBSA-N 1 1 254.786 3.032 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2cncn2Cc2ccccc2)C1 ZINC000829809988 633793091 /nfs/dbraw/zinc/79/30/91/633793091.db2.gz JVKLNVOTWZJAJY-QGZVFWFLSA-N 1 1 293.414 3.167 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](CCCC(=O)c2ccccc2)C1 ZINC000829814907 633795057 /nfs/dbraw/zinc/79/50/57/633795057.db2.gz BVPIATWDAFOPKD-MRXNPFEDSA-N 1 1 269.388 3.385 20 30 CGEDMO C[N@@H+](CCC(C)(C)C)Cc1ccc(OCC#N)cc1 ZINC000829929405 633811027 /nfs/dbraw/zinc/81/10/27/633811027.db2.gz VNFZKFZJQYISRW-UHFFFAOYSA-N 1 1 260.381 3.457 20 30 CGEDMO CC1=C(C(=O)Nc2ccc(CCC#N)cc2)CC[N@@H+]1C(C)C ZINC000830106351 633828939 /nfs/dbraw/zinc/82/89/39/633828939.db2.gz UNXVZAXPNRTSHI-UHFFFAOYSA-N 1 1 297.402 3.469 20 30 CGEDMO CCCCCCC[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000830598952 633872923 /nfs/dbraw/zinc/87/29/23/633872923.db2.gz BREVYFKORNIHQR-JKSUJKDBSA-N 1 1 288.435 3.238 20 30 CGEDMO N#CCCOCC[N@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000830763898 633886352 /nfs/dbraw/zinc/88/63/52/633886352.db2.gz CGZMLINPVCAXBE-QGZVFWFLSA-N 1 1 282.387 3.310 20 30 CGEDMO CC(C)C[C@@]1(C)CCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000830803454 633890062 /nfs/dbraw/zinc/89/00/62/633890062.db2.gz MQPZWWAKJJDWDL-QZTJIDSGSA-N 1 1 286.419 3.492 20 30 CGEDMO C[C@@H]1CCC[C@H](C2C[NH+](C[C@H](C#N)CCC#N)C2)C1 ZINC000871991427 633934642 /nfs/dbraw/zinc/93/46/42/633934642.db2.gz WZEUYGKOPRZMOO-ILXRZTDVSA-N 1 1 259.397 3.188 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000832278121 634041291 /nfs/dbraw/zinc/04/12/91/634041291.db2.gz PZMCMULVGBQZCU-CZUORRHYSA-N 1 1 298.390 3.019 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000832278121 634041293 /nfs/dbraw/zinc/04/12/93/634041293.db2.gz PZMCMULVGBQZCU-CZUORRHYSA-N 1 1 298.390 3.019 20 30 CGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc([C@H](C)Oc2ccccc2)no1 ZINC000872175101 634079300 /nfs/dbraw/zinc/07/93/00/634079300.db2.gz OCEGBHFBTBZYSF-CMPLNLGQSA-N 1 1 293.754 3.352 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872279727 634099150 /nfs/dbraw/zinc/09/91/50/634099150.db2.gz HPPCZWGKOQCCBE-LJQANCHMSA-N 1 1 283.415 3.462 20 30 CGEDMO Cc1c(C[NH2+]CC2(C#N)CCCCC2)cccc1[N+](=O)[O-] ZINC000873138182 634256865 /nfs/dbraw/zinc/25/68/65/634256865.db2.gz OPRKQHUKCBSDOF-UHFFFAOYSA-N 1 1 287.363 3.467 20 30 CGEDMO C=CC[C@@H]([NH2+]Cc1cc(C2CC2)no1)c1ccncc1 ZINC000877047193 634962460 /nfs/dbraw/zinc/96/24/60/634962460.db2.gz ZKSLZDUMYPPTCN-OAHLLOKOSA-N 1 1 269.348 3.354 20 30 CGEDMO C=CCn1c(C)nn(C[N@@H+]2CCC[C@@H]2C2CCC2)c1=S ZINC000102885980 634972293 /nfs/dbraw/zinc/97/22/93/634972293.db2.gz REZZTINEHOCYAO-CQSZACIVSA-N 1 1 292.452 3.131 20 30 CGEDMO C=CCn1c(C)nn(C[N@H+]2CCC[C@@H]2C2CCC2)c1=S ZINC000102885980 634972299 /nfs/dbraw/zinc/97/22/99/634972299.db2.gz REZZTINEHOCYAO-CQSZACIVSA-N 1 1 292.452 3.131 20 30 CGEDMO C#CCCCCCC[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000877604362 635107326 /nfs/dbraw/zinc/10/73/26/635107326.db2.gz ZWSBPODTPACARS-SJORKVTESA-N 1 1 263.425 3.461 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cccnc2Br)C1 ZINC000877604677 635108636 /nfs/dbraw/zinc/10/86/36/635108636.db2.gz FUNIPDAMBXJVRF-LBPRGKRZSA-N 1 1 293.208 3.079 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cc3c(ccnc3Cl)o2)C1 ZINC000877651528 635133273 /nfs/dbraw/zinc/13/32/73/635133273.db2.gz XPAJPLHEJJDYIR-NSHDSACASA-N 1 1 274.751 3.326 20 30 CGEDMO C[N@H+]1CC[C@H]2CN(Cc3ccc(C(C)(C)C#N)cc3)CC[C@H]21 ZINC000877738738 635173964 /nfs/dbraw/zinc/17/39/64/635173964.db2.gz CVEFWGVERXDTDU-FUHWJXTLSA-N 1 1 297.446 3.014 20 30 CGEDMO C[N@@H+](C[C@@H](O)c1cccc(C#N)c1)[C@@H]1CCc2ccccc21 ZINC000841493354 635186663 /nfs/dbraw/zinc/18/66/63/635186663.db2.gz LKUIXQUXSRIPMG-RTBURBONSA-N 1 1 292.382 3.211 20 30 CGEDMO CC(C)c1cc([C@@H]2CCC[N@@H+](Cc3ccc(C#N)o3)C2)[nH]n1 ZINC000877783607 635202682 /nfs/dbraw/zinc/20/26/82/635202682.db2.gz BCCFWFVYDJBVJL-CYBMUJFWSA-N 1 1 298.390 3.377 20 30 CGEDMO CC(C)c1cc([C@@H]2CCC[N@H+](Cc3ccc(C#N)o3)C2)n[nH]1 ZINC000877783607 635202685 /nfs/dbraw/zinc/20/26/85/635202685.db2.gz BCCFWFVYDJBVJL-CYBMUJFWSA-N 1 1 298.390 3.377 20 30 CGEDMO CC(C)c1cc([C@@H]2CCC[N@@H+](Cc3ccc(C#N)o3)C2)n[nH]1 ZINC000877783607 635202686 /nfs/dbraw/zinc/20/26/86/635202686.db2.gz BCCFWFVYDJBVJL-CYBMUJFWSA-N 1 1 298.390 3.377 20 30 CGEDMO Cc1csc([C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)n1 ZINC000877813638 635220147 /nfs/dbraw/zinc/22/01/47/635220147.db2.gz NAIQRXPEUHFPDK-OAHLLOKOSA-N 1 1 283.400 3.313 20 30 CGEDMO C=CC[C@H](C)[N@@H+](C)CC(=O)Nc1cccc(C)c1C ZINC000877946804 635283024 /nfs/dbraw/zinc/28/30/24/635283024.db2.gz NUOUYTZZQXFRTF-ZDUSSCGKSA-N 1 1 260.381 3.138 20 30 CGEDMO C[N@@H+](C[C@H](O)c1cccc(C#N)c1)[C@H]1C[C@@H]1c1ccccc1 ZINC000842151966 635296305 /nfs/dbraw/zinc/29/63/05/635296305.db2.gz DWQZVWXRHVASRT-QYZOEREBSA-N 1 1 292.382 3.080 20 30 CGEDMO Cc1cc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)ccc1F ZINC000842155761 635298847 /nfs/dbraw/zinc/29/88/47/635298847.db2.gz DYUAZWNRNJLNNJ-SFHVURJKSA-N 1 1 298.361 3.171 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@H+]1C[C@H](C)C[C@H]1C)c1ccccc1 ZINC000878126491 635368948 /nfs/dbraw/zinc/36/89/48/635368948.db2.gz QAFFZSIVPUFBLR-IIDMSEBBSA-N 1 1 284.403 3.157 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000878136516 635373856 /nfs/dbraw/zinc/37/38/56/635373856.db2.gz AXDLXJDCDJMGLP-DOTOQJQBSA-N 1 1 259.393 3.490 20 30 CGEDMO N#CCC[N@H+](CC[C@@H]1CCCC1(F)F)CC1CC1 ZINC000878159760 635385561 /nfs/dbraw/zinc/38/55/61/635385561.db2.gz UEVONTDHBLLOJC-ZDUSSCGKSA-N 1 1 256.340 3.438 20 30 CGEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CC[C@@H](C2CC2)C1)c1ccccc1 ZINC000878324068 635461046 /nfs/dbraw/zinc/46/10/46/635461046.db2.gz HPCGTOYHUUFVSY-MJGOQNOKSA-N 1 1 296.414 3.159 20 30 CGEDMO C=CC[N@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)C1CC1 ZINC000878341503 635466600 /nfs/dbraw/zinc/46/66/00/635466600.db2.gz AGIIIEXGJINBRN-GOSISDBHSA-N 1 1 282.387 3.077 20 30 CGEDMO C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ccc(C#N)o2)C1 ZINC000878429029 635505386 /nfs/dbraw/zinc/50/53/86/635505386.db2.gz UYLSPNALGVOZBV-LRDDRELGSA-N 1 1 267.332 3.129 20 30 CGEDMO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000878429029 635505390 /nfs/dbraw/zinc/50/53/90/635505390.db2.gz UYLSPNALGVOZBV-LRDDRELGSA-N 1 1 267.332 3.129 20 30 CGEDMO C#CCCCCC[N@@H+]1CCSC[C@@H]1c1nccs1 ZINC000878448344 635511628 /nfs/dbraw/zinc/51/16/28/635511628.db2.gz SJXUFUOSBCAFLK-CYBMUJFWSA-N 1 1 280.462 3.427 20 30 CGEDMO C#CCCCCC[N@H+]1CCSC[C@@H]1c1nccs1 ZINC000878448344 635511632 /nfs/dbraw/zinc/51/16/32/635511632.db2.gz SJXUFUOSBCAFLK-CYBMUJFWSA-N 1 1 280.462 3.427 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000878626139 635577451 /nfs/dbraw/zinc/57/74/51/635577451.db2.gz NOGLSICFVHRFSM-PBHICJAKSA-N 1 1 277.383 3.017 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](C[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000878843905 635640863 /nfs/dbraw/zinc/64/08/63/635640863.db2.gz LZCDMZVYEKBLNZ-KBAYOESNSA-N 1 1 269.388 3.252 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC000878843918 635641001 /nfs/dbraw/zinc/64/10/01/635641001.db2.gz MIOMVSSZPHHCGG-JTQLQIEISA-N 1 1 257.255 3.144 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC000878843918 635641010 /nfs/dbraw/zinc/64/10/10/635641010.db2.gz MIOMVSSZPHHCGG-JTQLQIEISA-N 1 1 257.255 3.144 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(O)c(OCC)c2)C1 ZINC000843423812 635668357 /nfs/dbraw/zinc/66/83/57/635668357.db2.gz RKALJSXBEKSISE-AWEZNQCLSA-N 1 1 273.376 3.026 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000843423704 635668397 /nfs/dbraw/zinc/66/83/97/635668397.db2.gz IQISYJRBFIFKSE-NSHDSACASA-N 1 1 267.294 3.339 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000843423704 635668401 /nfs/dbraw/zinc/66/84/01/635668401.db2.gz IQISYJRBFIFKSE-NSHDSACASA-N 1 1 267.294 3.339 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000843424640 635670193 /nfs/dbraw/zinc/67/01/93/635670193.db2.gz XYZHGFZPOFMCEX-INIZCTEOSA-N 1 1 293.414 3.322 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000843431893 635674750 /nfs/dbraw/zinc/67/47/50/635674750.db2.gz MTQUBLCFMNDTSS-INIZCTEOSA-N 1 1 299.414 3.090 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000879038681 635689151 /nfs/dbraw/zinc/68/91/51/635689151.db2.gz WMGJNWRICWVNBI-IHRRRGAJSA-N 1 1 267.413 3.251 20 30 CGEDMO C[N@@H+](C[C@@H]1CC(C)(C)OC1(C)C)[C@H]1CCC[C@@H]1C#N ZINC000879310546 635752493 /nfs/dbraw/zinc/75/24/93/635752493.db2.gz VMSOIDAKZCMEGL-RDBSUJKOSA-N 1 1 264.413 3.204 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000879427557 635785305 /nfs/dbraw/zinc/78/53/05/635785305.db2.gz GLCKITGJSCVMNL-GJZGRUSLSA-N 1 1 292.467 3.358 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879529591 635805059 /nfs/dbraw/zinc/80/50/59/635805059.db2.gz RTAFQCYYUZXPON-OKILXGFUSA-N 1 1 256.324 3.095 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879563386 635811233 /nfs/dbraw/zinc/81/12/33/635811233.db2.gz CMSQFTGYWLTBEL-CVEARBPZSA-N 1 1 272.417 3.052 20 30 CGEDMO C=CCCC[N@H+]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC000879634684 635823963 /nfs/dbraw/zinc/82/39/63/635823963.db2.gz VIKFBENRZBFQMI-INIZCTEOSA-N 1 1 261.365 3.035 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC000879755367 635855613 /nfs/dbraw/zinc/85/56/13/635855613.db2.gz SFEINGHIJTUXNR-UONOGXRCSA-N 1 1 280.412 3.036 20 30 CGEDMO C[N@@H+](CCC1=CCCCC1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844367344 635882188 /nfs/dbraw/zinc/88/21/88/635882188.db2.gz ALFISANSGPTGIT-GOSISDBHSA-N 1 1 284.403 3.414 20 30 CGEDMO Cc1cccc(C)c1C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844367790 635882196 /nfs/dbraw/zinc/88/21/96/635882196.db2.gz AXUSCBAVUNUMCE-IBGZPJMESA-N 1 1 294.398 3.341 20 30 CGEDMO C#CCCC[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1C ZINC000880089840 635910591 /nfs/dbraw/zinc/91/05/91/635910591.db2.gz KSWNPXVULIGSDJ-ZDUSSCGKSA-N 1 1 273.376 3.036 20 30 CGEDMO CN1CCC[C@H]2[C@@H]1CC[N@H+]2Cc1ccccc1C(C)(C)C#N ZINC000880135072 635921062 /nfs/dbraw/zinc/92/10/62/635921062.db2.gz QJKAGTBUZYFUTL-ROUUACIJSA-N 1 1 297.446 3.156 20 30 CGEDMO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2Cc1ccccc1C(C)(C)C#N ZINC000880135072 635921066 /nfs/dbraw/zinc/92/10/66/635921066.db2.gz QJKAGTBUZYFUTL-ROUUACIJSA-N 1 1 297.446 3.156 20 30 CGEDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2Cc1ccccc1C(C)(C)C#N ZINC000880135072 635921071 /nfs/dbraw/zinc/92/10/71/635921071.db2.gz QJKAGTBUZYFUTL-ROUUACIJSA-N 1 1 297.446 3.156 20 30 CGEDMO C=CC[N@@H+]1CCCSC[C@H]1c1ccccc1OC ZINC000880172738 635928079 /nfs/dbraw/zinc/92/80/79/635928079.db2.gz BCRJKJWSIKWAEB-AWEZNQCLSA-N 1 1 263.406 3.361 20 30 CGEDMO COCC1([N@@H+](C)Cc2ccc(Cl)cc2C#N)CCC1 ZINC000880186062 635930612 /nfs/dbraw/zinc/93/06/12/635930612.db2.gz ODIMBTWLSXSMSY-UHFFFAOYSA-N 1 1 278.783 3.213 20 30 CGEDMO N#CCC[N@@H+]1CCC[C@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC000880275327 635961926 /nfs/dbraw/zinc/96/19/26/635961926.db2.gz OAEUNKUFPAJJTE-HNNXBMFYSA-N 1 1 280.375 3.170 20 30 CGEDMO N#CCC[N@H+]1CCC[C@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC000880275327 635961928 /nfs/dbraw/zinc/96/19/28/635961928.db2.gz OAEUNKUFPAJJTE-HNNXBMFYSA-N 1 1 280.375 3.170 20 30 CGEDMO COc1cccc([C@H]2CC[N@@H+](CCC#N)C2(C)C)c1 ZINC000880285400 635963281 /nfs/dbraw/zinc/96/32/81/635963281.db2.gz SEQRWIRYOIRVME-OAHLLOKOSA-N 1 1 258.365 3.177 20 30 CGEDMO CC1(C)[C@H](c2ccc(F)c(F)c2)CC[N@@H+]1CCC#N ZINC000880289192 635965368 /nfs/dbraw/zinc/96/53/68/635965368.db2.gz YVLYFYUYNITEKZ-LBPRGKRZSA-N 1 1 264.319 3.446 20 30 CGEDMO CC1(C)[C@H](c2ccc(F)c(F)c2)CC[N@H+]1CCC#N ZINC000880289192 635965369 /nfs/dbraw/zinc/96/53/69/635965369.db2.gz YVLYFYUYNITEKZ-LBPRGKRZSA-N 1 1 264.319 3.446 20 30 CGEDMO CC[N@H+](Cc1cccc(C#N)c1F)[C@@H](CO)c1ccccc1 ZINC000880461312 636004739 /nfs/dbraw/zinc/00/47/39/636004739.db2.gz FMJZXGGXMDYTPZ-KRWDZBQOSA-N 1 1 298.361 3.253 20 30 CGEDMO CC[N@@H+](Cc1cccc(C#N)c1F)[C@@H](CO)c1ccccc1 ZINC000880461312 636004741 /nfs/dbraw/zinc/00/47/41/636004741.db2.gz FMJZXGGXMDYTPZ-KRWDZBQOSA-N 1 1 298.361 3.253 20 30 CGEDMO CCCCCCCC[N@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880585962 636027237 /nfs/dbraw/zinc/02/72/37/636027237.db2.gz VJXCMBVJXVUCMD-MRXNPFEDSA-N 1 1 283.456 3.210 20 30 CGEDMO Cc1nn(-c2cccc(C)c2)cc1C[NH+]1CCC(C#N)CC1 ZINC000845905324 636117300 /nfs/dbraw/zinc/11/73/00/636117300.db2.gz ARXHZJLSVIEXKL-UHFFFAOYSA-N 1 1 294.402 3.225 20 30 CGEDMO C#CC[N@@H+](Cc1cn(-c2cccc(C)c2)nc1C)C1CC1 ZINC000845958188 636124457 /nfs/dbraw/zinc/12/44/57/636124457.db2.gz JFGRWVGURCZRAM-UHFFFAOYSA-N 1 1 279.387 3.087 20 30 CGEDMO C#CC[N@H+](Cc1cn(-c2cccc(C)c2)nc1C)C1CC1 ZINC000845958188 636124459 /nfs/dbraw/zinc/12/44/59/636124459.db2.gz JFGRWVGURCZRAM-UHFFFAOYSA-N 1 1 279.387 3.087 20 30 CGEDMO Cc1cc(C#N)ccc1NCCCC[N@H+](C)C1CC1 ZINC000846752438 636227369 /nfs/dbraw/zinc/22/73/69/636227369.db2.gz OMXYISLSFPLEPM-UHFFFAOYSA-N 1 1 257.381 3.153 20 30 CGEDMO CC(C)(C)c1cc[nH+]c(NCc2ccc(C#N)cn2)c1 ZINC000882229298 636292446 /nfs/dbraw/zinc/29/24/46/636292446.db2.gz DXFQEMGBHAVRHF-UHFFFAOYSA-N 1 1 266.348 3.258 20 30 CGEDMO C#C[C@H]1CCC[N@@H+]([C@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000847022171 636314338 /nfs/dbraw/zinc/31/43/38/636314338.db2.gz FTONWDQCWKJAAV-KGLIPLIRSA-N 1 1 281.359 3.143 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000847022171 636314342 /nfs/dbraw/zinc/31/43/42/636314342.db2.gz FTONWDQCWKJAAV-KGLIPLIRSA-N 1 1 281.359 3.143 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(OC(C)C)cc2)C1 ZINC000847024801 636314991 /nfs/dbraw/zinc/31/49/91/636314991.db2.gz SRQSVAGHYZPNDI-HNNXBMFYSA-N 1 1 257.377 3.319 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(-c3ccc(OC)cc3)no2)C1 ZINC000847026947 636317644 /nfs/dbraw/zinc/31/76/44/636317644.db2.gz IMACMUVSXNPWIO-AWEZNQCLSA-N 1 1 296.370 3.195 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+]([C@H](C)c2nnc(-c3cccs3)o2)C1 ZINC000847032592 636319207 /nfs/dbraw/zinc/31/92/07/636319207.db2.gz XGTKUYKKFQBQEG-VXGBXAGGSA-N 1 1 287.388 3.204 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)c2nnc(-c3cccs3)o2)C1 ZINC000847032592 636319223 /nfs/dbraw/zinc/31/92/23/636319223.db2.gz XGTKUYKKFQBQEG-VXGBXAGGSA-N 1 1 287.388 3.204 20 30 CGEDMO C=C[C@H](CC(=O)OCC[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000847823319 636459941 /nfs/dbraw/zinc/45/99/41/636459941.db2.gz LGWLFQROKUAYHX-JKSUJKDBSA-N 1 1 287.403 3.231 20 30 CGEDMO C=CCC[C@@H]([NH2+]C1CCN(CC(C)C)CC1)[C@H]1CCCO1 ZINC000883169849 636564365 /nfs/dbraw/zinc/56/43/65/636564365.db2.gz FSZMSZOKRZVHNJ-QZTJIDSGSA-N 1 1 294.483 3.210 20 30 CGEDMO Cc1cc(F)cc(-c2noc([C@@H]([NH3+])CCCCC#N)n2)c1 ZINC000848620686 636620494 /nfs/dbraw/zinc/62/04/94/636620494.db2.gz GAIXBDGPOLKZOU-ZDUSSCGKSA-N 1 1 288.326 3.268 20 30 CGEDMO Cc1cc(C)cc(Cc2noc([C@H]([NH3+])CCCCC#N)n2)c1 ZINC000848622557 636621319 /nfs/dbraw/zinc/62/13/19/636621319.db2.gz YPTLIJKEEDFNDL-OAHLLOKOSA-N 1 1 298.390 3.361 20 30 CGEDMO Cc1cccc(-c2noc([C@@H]([NH3+])CCCCC#N)n2)c1F ZINC000848629043 636624515 /nfs/dbraw/zinc/62/45/15/636624515.db2.gz VQNAEAIJOUVFIH-LBPRGKRZSA-N 1 1 288.326 3.268 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cccc(OC)c2OC(F)F)C1 ZINC000848923838 636695088 /nfs/dbraw/zinc/69/50/88/636695088.db2.gz QYHPCHOWYZIINC-LBPRGKRZSA-N 1 1 295.329 3.142 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cccc(OC)c2OC(F)F)C1 ZINC000848923838 636695091 /nfs/dbraw/zinc/69/50/91/636695091.db2.gz QYHPCHOWYZIINC-LBPRGKRZSA-N 1 1 295.329 3.142 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cnc(CC(C)C)s2)C1 ZINC000848923697 636695675 /nfs/dbraw/zinc/69/56/75/636695675.db2.gz IOTIQOULLRROQA-CYBMUJFWSA-N 1 1 262.422 3.187 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000848924437 636698219 /nfs/dbraw/zinc/69/82/19/636698219.db2.gz SMRAIRJWSWDBPU-MRXNPFEDSA-N 1 1 282.387 3.214 20 30 CGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CC[C@H]2c2ccc(F)cc2)cc1 ZINC000849326023 636810969 /nfs/dbraw/zinc/81/09/69/636810969.db2.gz ARGLOZJYQQMTCI-ROUUACIJSA-N 1 1 296.345 3.178 20 30 CGEDMO C=C(Br)C[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000133462081 636899927 /nfs/dbraw/zinc/89/99/27/636899927.db2.gz ROLXMRYEVHGYQU-AWEZNQCLSA-N 1 1 295.224 3.472 20 30 CGEDMO C=C(Br)C[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000133462081 636899935 /nfs/dbraw/zinc/89/99/35/636899935.db2.gz ROLXMRYEVHGYQU-AWEZNQCLSA-N 1 1 295.224 3.472 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@H]2Cc2ccccc2)CCC1 ZINC000885935941 637319463 /nfs/dbraw/zinc/31/94/63/637319463.db2.gz WQBRSWQDBPJGFY-ZWKOTPCHSA-N 1 1 298.430 3.138 20 30 CGEDMO C[C@@H](c1ccccc1)[N@@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000885937475 637320811 /nfs/dbraw/zinc/32/08/11/637320811.db2.gz AAIOEMPCOVACPZ-GOEBONIOSA-N 1 1 272.392 3.124 20 30 CGEDMO CCC[C@@]1(C)CCC[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886027004 637371290 /nfs/dbraw/zinc/37/12/90/637371290.db2.gz AXCFFWGBLCDARX-CVEARBPZSA-N 1 1 278.440 3.333 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)C[C@@H]1C[C@]12CCOC2 ZINC000886030695 637375507 /nfs/dbraw/zinc/37/55/07/637375507.db2.gz RUBVKNJSBRXOPE-HOTGVXAUSA-N 1 1 264.413 3.065 20 30 CGEDMO C[C@@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCC2)[C@@H]1c1ccccc1 ZINC000886033355 637376914 /nfs/dbraw/zinc/37/69/14/637376914.db2.gz SZFZMYJWHNFNCT-OIISXLGYSA-N 1 1 284.403 3.124 20 30 CGEDMO CCC[C@@H]1[C@H](C)CCC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886072299 637400337 /nfs/dbraw/zinc/40/03/37/637400337.db2.gz CMCVLXCNLKMAAH-OWCLPIDISA-N 1 1 278.440 3.332 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@@H]3C[C@@]34CCOC4)CC2)cc1 ZINC000886100534 637412276 /nfs/dbraw/zinc/41/22/76/637412276.db2.gz QDEQIFPWKQSMIK-RBUKOAKNSA-N 1 1 294.398 3.074 20 30 CGEDMO Cc1cc(F)ccc1C[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000886169556 637446584 /nfs/dbraw/zinc/44/65/84/637446584.db2.gz ALZPNOATQMQZBX-INIZCTEOSA-N 1 1 290.382 3.011 20 30 CGEDMO Cc1ccc(C[N@@H+](C)C[C@H](O)CC2(C#N)CCC2)cc1C ZINC000886238921 637467489 /nfs/dbraw/zinc/46/74/89/637467489.db2.gz LXCBESRQOYGRNC-QGZVFWFLSA-N 1 1 286.419 3.180 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@H+]2C[C@@H]3CC[C@H]2c2ccccc23)CCC1 ZINC000886319602 637498215 /nfs/dbraw/zinc/49/82/15/637498215.db2.gz ITUFSFWKSKANPU-DAYGRLMNSA-N 1 1 296.414 3.366 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000886353120 637509603 /nfs/dbraw/zinc/50/96/03/637509603.db2.gz BYDDMPHHDRPCAA-CQSZACIVSA-N 1 1 266.344 3.187 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2Cl)C1 ZINC000886355155 637511552 /nfs/dbraw/zinc/51/15/52/637511552.db2.gz DDYVLPWARLTORR-QWHCGFSZSA-N 1 1 290.794 3.012 20 30 CGEDMO C#CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2Cl)C1 ZINC000886355155 637511557 /nfs/dbraw/zinc/51/15/57/637511557.db2.gz DDYVLPWARLTORR-QWHCGFSZSA-N 1 1 290.794 3.012 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000886356121 637511693 /nfs/dbraw/zinc/51/16/93/637511693.db2.gz UHVLCPRUBCPZIN-DOMZBBRYSA-N 1 1 297.320 3.084 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(=O)oc3c(C)c(C)ccc23)C1 ZINC000886360400 637512841 /nfs/dbraw/zinc/51/28/41/637512841.db2.gz VROIRGRCQPUZIH-OAHLLOKOSA-N 1 1 295.382 3.255 20 30 CGEDMO C#CCOCC[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000851824299 637514759 /nfs/dbraw/zinc/51/47/59/637514759.db2.gz TYLKGCUYPFOAOL-UHFFFAOYSA-N 1 1 298.361 3.046 20 30 CGEDMO N#Cc1cccc([C@@H]2C[N@@H+](C[C@@H]3CC[C@H]4C[C@H]4C3)CCO2)c1 ZINC000851882048 637529872 /nfs/dbraw/zinc/52/98/72/637529872.db2.gz UBDNYBWVGYUBFT-JFRXWTBNSA-N 1 1 296.414 3.368 20 30 CGEDMO C#CCOCC[N@@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000851886559 637530375 /nfs/dbraw/zinc/53/03/75/637530375.db2.gz HGUMYVHDXAJXJQ-UHFFFAOYSA-N 1 1 275.779 3.079 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886561903 637582969 /nfs/dbraw/zinc/58/29/69/637582969.db2.gz LZHZQSWBEQLHLA-GASCZTMLSA-N 1 1 286.444 3.283 20 30 CGEDMO C#C[C@](C)(CC)[NH2+]Cc1ccc(C#N)cc1Br ZINC000852101656 637595589 /nfs/dbraw/zinc/59/55/89/637595589.db2.gz SDAKKFOJJVRFBP-CQSZACIVSA-N 1 1 291.192 3.212 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@]2(CO)CCC[C@@H]12 ZINC000886628068 637618663 /nfs/dbraw/zinc/61/86/63/637618663.db2.gz DZXYJZAFOKYDHV-IEBWSBKVSA-N 1 1 298.430 3.225 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](CCSc2cccc(OC)c2)C1 ZINC000852215704 637619118 /nfs/dbraw/zinc/61/91/18/637619118.db2.gz MYFQQYUHWSAOMU-CQSZACIVSA-N 1 1 275.417 3.133 20 30 CGEDMO CC(C)C[C@@H](C)[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852333109 637635928 /nfs/dbraw/zinc/63/59/28/637635928.db2.gz HOPLXHSJIMZQMN-NVXWUHKLSA-N 1 1 271.408 3.373 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(C)cc2)C1 ZINC000852410130 637647530 /nfs/dbraw/zinc/64/75/30/637647530.db2.gz IRZQKWQZHOWHJY-WBVHZDCISA-N 1 1 259.393 3.317 20 30 CGEDMO Cc1csc(C[C@@H]2CCC[N@H+]([C@@H]3CC[C@@H](C#N)C3)C2)n1 ZINC000886692159 637655896 /nfs/dbraw/zinc/65/58/96/637655896.db2.gz SVHKOUXMFCWJTQ-QLFBSQMISA-N 1 1 289.448 3.398 20 30 CGEDMO C#CCCC[N@@H+]1CC[C@](C)(c2cccc(OC)c2)C1 ZINC000852535436 637674052 /nfs/dbraw/zinc/67/40/52/637674052.db2.gz DCGSZDKKCIMBCO-KRWDZBQOSA-N 1 1 257.377 3.072 20 30 CGEDMO C=CCC1(O)CC[NH+]([C@@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC000886766839 637681099 /nfs/dbraw/zinc/68/10/99/637681099.db2.gz SNXXWMBCHAFUMM-ZDUSSCGKSA-N 1 1 292.423 3.436 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc2ccccc2[nH]1 ZINC000852685996 637695578 /nfs/dbraw/zinc/69/55/78/637695578.db2.gz NVNWIOBPIKGSND-BETUJISGSA-N 1 1 253.349 3.246 20 30 CGEDMO Clc1ccccc1C#CC[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886816212 637702310 /nfs/dbraw/zinc/70/23/10/637702310.db2.gz PIJYCMJGRDLLMD-RDJZCZTQSA-N 1 1 289.806 3.192 20 30 CGEDMO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc2c(c1)CCCO2 ZINC000852780682 637711239 /nfs/dbraw/zinc/71/12/39/637711239.db2.gz AVOYJWFBGKQGAH-KBPBESRZSA-N 1 1 283.375 3.106 20 30 CGEDMO Oc1ccccc1/C=N/C[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000852998631 637727724 /nfs/dbraw/zinc/72/77/24/637727724.db2.gz QHSWPXRSCWGFQE-DAQNXSASSA-N 1 1 280.371 3.086 20 30 CGEDMO C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)CCCF ZINC000887141543 637759487 /nfs/dbraw/zinc/75/94/87/637759487.db2.gz YREMXROGPRTLST-UHFFFAOYSA-N 1 1 289.272 3.228 20 30 CGEDMO C#Cc1cccnc1NCCCC[N@@H+]1CCCC[C@H]1C ZINC000853164482 637774957 /nfs/dbraw/zinc/77/49/57/637774957.db2.gz HBWAQENOFUNNMZ-OAHLLOKOSA-N 1 1 271.408 3.129 20 30 CGEDMO C=CC[N@H+](Cn1ccc(-c2ccccc2)n1)[C@@H](C)COC ZINC000853532635 637863205 /nfs/dbraw/zinc/86/32/05/637863205.db2.gz ISJJEEMVTOPXFU-HNNXBMFYSA-N 1 1 285.391 3.031 20 30 CGEDMO C=CC[N@@H+](Cn1ccc(-c2ccccc2)n1)[C@@H](C)COC ZINC000853532635 637863207 /nfs/dbraw/zinc/86/32/07/637863207.db2.gz ISJJEEMVTOPXFU-HNNXBMFYSA-N 1 1 285.391 3.031 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](CN2C(=O)[C@@H]3CCCCC[C@@H]32)C1 ZINC000853537191 637863506 /nfs/dbraw/zinc/86/35/06/637863506.db2.gz QWNORFHFNPMRAW-OAGGEKHMSA-N 1 1 276.424 3.023 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cn2sc3ccccc3c2=O)C1 ZINC000853536258 637864342 /nfs/dbraw/zinc/86/43/42/637864342.db2.gz QTQVZKFVGJCGTP-ZDUSSCGKSA-N 1 1 288.416 3.309 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cn2sc3ccccc3c2=O)C1 ZINC000853536258 637864347 /nfs/dbraw/zinc/86/43/47/637864347.db2.gz QTQVZKFVGJCGTP-ZDUSSCGKSA-N 1 1 288.416 3.309 20 30 CGEDMO C=CCc1cc(OCC)cc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1O ZINC000853581225 637870416 /nfs/dbraw/zinc/87/04/16/637870416.db2.gz SHFGVQSJFFYYNG-UKRRQHHQSA-N 1 1 287.403 3.361 20 30 CGEDMO C=CC[C@@H]1CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000855436378 638197210 /nfs/dbraw/zinc/19/72/10/638197210.db2.gz ABPORNJELLIKKO-RHSMWYFYSA-N 1 1 296.430 3.014 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)CC1 ZINC000930447941 638272633 /nfs/dbraw/zinc/27/26/33/638272633.db2.gz LGUASVFZRKHMTM-ZBCRRDGASA-N 1 1 272.396 3.267 20 30 CGEDMO C=CC[C@@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1ccncc1 ZINC000857854147 638578008 /nfs/dbraw/zinc/57/80/08/638578008.db2.gz CRQZOBLOLJXERK-HUUCEWRRSA-N 1 1 268.364 3.089 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)C1 ZINC000858051149 638622638 /nfs/dbraw/zinc/62/26/38/638622638.db2.gz INYAMVXURGLFMW-COXVUDFISA-N 1 1 297.402 3.104 20 30 CGEDMO C=CC[C@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccncc1 ZINC000858139253 638640285 /nfs/dbraw/zinc/64/02/85/638640285.db2.gz QWFLELKBVYCSTP-CVEARBPZSA-N 1 1 273.424 3.161 20 30 CGEDMO C=CC[C@H]([NH2+][C@@H]1CCN(C)C(C)(C)C1)c1ccncc1 ZINC000858139253 638640297 /nfs/dbraw/zinc/64/02/97/638640297.db2.gz QWFLELKBVYCSTP-CVEARBPZSA-N 1 1 273.424 3.161 20 30 CGEDMO C=CC[C@@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)c1ccncc1 ZINC000858139258 638640940 /nfs/dbraw/zinc/64/09/40/638640940.db2.gz QWFLELKBVYCSTP-JKSUJKDBSA-N 1 1 273.424 3.161 20 30 CGEDMO C=CC[C@@H]([NH2+][C@H]1CCN(C)C(C)(C)C1)c1ccncc1 ZINC000858139258 638640950 /nfs/dbraw/zinc/64/09/50/638640950.db2.gz QWFLELKBVYCSTP-JKSUJKDBSA-N 1 1 273.424 3.161 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCc3ccccc3C2)CC1 ZINC000929124866 638900652 /nfs/dbraw/zinc/90/06/52/638900652.db2.gz MACUGHJKBZVORV-UHFFFAOYSA-N 1 1 254.377 3.375 20 30 CGEDMO CCOC(=O)[C@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000929127627 638900957 /nfs/dbraw/zinc/90/09/57/638900957.db2.gz BLZOOTSIVHRGPA-HNNXBMFYSA-N 1 1 292.423 3.126 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1[nH]c(C)nc1C ZINC000929362095 638921120 /nfs/dbraw/zinc/92/11/20/638921120.db2.gz MXKQXWKEWHFZCG-UHFFFAOYSA-N 1 1 269.392 3.257 20 30 CGEDMO COC[C@H]1CCC[N@@H+](Cc2c(C)cc(C#N)cc2C)C1 ZINC000929634864 638936110 /nfs/dbraw/zinc/93/61/10/638936110.db2.gz JLIFBXLHBPLUND-HNNXBMFYSA-N 1 1 272.392 3.034 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)CCSc1ccncc1 ZINC000929692087 638941974 /nfs/dbraw/zinc/94/19/74/638941974.db2.gz VTJICQRBGFBCDU-UHFFFAOYSA-N 1 1 277.437 3.435 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)CCSc1ccncc1 ZINC000929692087 638941976 /nfs/dbraw/zinc/94/19/76/638941976.db2.gz VTJICQRBGFBCDU-UHFFFAOYSA-N 1 1 277.437 3.435 20 30 CGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000929696750 638942263 /nfs/dbraw/zinc/94/22/63/638942263.db2.gz OLSQDEQSEUMJBE-HNNXBMFYSA-N 1 1 292.448 3.136 20 30 CGEDMO C[C@H]1C[N@H+](Cc2cncc(C#N)c2)[C@@H]1c1ccccc1 ZINC000929788441 638952026 /nfs/dbraw/zinc/95/20/26/638952026.db2.gz RONWRUYFTOLSOH-GUYCJALGSA-N 1 1 263.344 3.146 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cncc(C#N)c2)[C@@H]1c1ccccc1 ZINC000929788441 638952028 /nfs/dbraw/zinc/95/20/28/638952028.db2.gz RONWRUYFTOLSOH-GUYCJALGSA-N 1 1 263.344 3.146 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)CC1 ZINC000929886948 638959414 /nfs/dbraw/zinc/95/94/14/638959414.db2.gz RFJLQSARJZALSC-ZBCRRDGASA-N 1 1 257.381 3.482 20 30 CGEDMO Cc1csc(C2([NH2+]Cc3cncc(C#N)c3)CCCC2)n1 ZINC000930009357 638968272 /nfs/dbraw/zinc/96/82/72/638968272.db2.gz GBAAJLTZMIXTFO-UHFFFAOYSA-N 1 1 298.415 3.277 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000930071412 638972421 /nfs/dbraw/zinc/97/24/21/638972421.db2.gz GRMMBNKURNHTJQ-LSDHHAIUSA-N 1 1 290.794 3.070 20 30 CGEDMO C[C@H](c1cccnc1)[N@@H+](C)CC1CCC(C#N)CC1 ZINC000930118684 638975706 /nfs/dbraw/zinc/97/57/06/638975706.db2.gz HWVBLOYRJDBENW-WLYUNCDWSA-N 1 1 257.381 3.404 20 30 CGEDMO COC/C(C)=C\C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000930157956 638978005 /nfs/dbraw/zinc/97/80/05/638978005.db2.gz JCOFNSMAGQPBML-CHHVJCJISA-N 1 1 282.387 3.240 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000930265266 638986997 /nfs/dbraw/zinc/98/69/97/638986997.db2.gz UUJCNOXWUZSQNI-GRYCIOLGSA-N 1 1 263.303 3.137 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cnn(CCF)c1)Cc1ccccc1 ZINC000930273806 638987961 /nfs/dbraw/zinc/98/79/61/638987961.db2.gz RRLIWNRWTKRIBQ-UHFFFAOYSA-N 1 1 287.382 3.431 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2c(C)cc(C#N)cc2C)[C@@H](C)C1 ZINC000930324212 638990846 /nfs/dbraw/zinc/99/08/46/638990846.db2.gz QUEALJYRBOJGQJ-GOEBONIOSA-N 1 1 272.392 3.174 20 30 CGEDMO Cn1nccc1C1=CC[N@@H+](CCCCC2(C#N)CCC2)CC1 ZINC000930447174 638999940 /nfs/dbraw/zinc/99/99/40/638999940.db2.gz XAOLFHXOAHLYOC-UHFFFAOYSA-N 1 1 298.434 3.373 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H](N2CCCC2)[C@@H]1C ZINC000930482532 639008092 /nfs/dbraw/zinc/00/80/92/639008092.db2.gz NHBQGPLXTBPDDC-QFBILLFUSA-N 1 1 297.446 3.234 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@@H](N2CCCC2)[C@@H]1C ZINC000930482532 639008094 /nfs/dbraw/zinc/00/80/94/639008094.db2.gz NHBQGPLXTBPDDC-QFBILLFUSA-N 1 1 297.446 3.234 20 30 CGEDMO C=C[C@H](CC)CC(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000930497212 639011114 /nfs/dbraw/zinc/01/11/14/639011114.db2.gz LDJATBGSOKVQMM-OAHLLOKOSA-N 1 1 288.435 3.357 20 30 CGEDMO N#CC[C@@H](O)C[NH2+][C@H](c1c(Cl)cccc1Cl)C1CC1 ZINC000930507039 639013953 /nfs/dbraw/zinc/01/39/53/639013953.db2.gz BOYCWKJXGRGSJZ-YGRLFVJLSA-N 1 1 299.201 3.309 20 30 CGEDMO C#CC[C@H](CCOC)Nc1[nH+]ccc2cc(F)ccc21 ZINC000858858902 639031425 /nfs/dbraw/zinc/03/14/25/639031425.db2.gz VADZERZBERXZRB-CQSZACIVSA-N 1 1 272.323 3.214 20 30 CGEDMO CC1(C)CC[N@@H+](CCCCC2(C#N)CCC2)CC[S@@]1=O ZINC000930648502 639045501 /nfs/dbraw/zinc/04/55/01/639045501.db2.gz KOPDCZLWARTSNH-FQEVSTJZSA-N 1 1 296.480 3.084 20 30 CGEDMO COC/C(C)=C\C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000930765554 639065200 /nfs/dbraw/zinc/06/52/00/639065200.db2.gz ZSLVHQBLPDHEQC-MQJVFOOVSA-N 1 1 258.365 3.144 20 30 CGEDMO C#CC[N@@H+](Cc1ccnc(F)c1)[C@@H]1CCc2ccccc21 ZINC000859090757 639075925 /nfs/dbraw/zinc/07/59/25/639075925.db2.gz XLHXWKDXURJTMX-QGZVFWFLSA-N 1 1 280.346 3.343 20 30 CGEDMO C#CC[N@H+](Cc1ccnc(F)c1)[C@@H]1CCc2ccccc21 ZINC000859090757 639075928 /nfs/dbraw/zinc/07/59/28/639075928.db2.gz XLHXWKDXURJTMX-QGZVFWFLSA-N 1 1 280.346 3.343 20 30 CGEDMO CC[C@@H](c1ccccc1)[N@@H+](C[C@H](O)CC#N)C(C)C ZINC000931064705 639106155 /nfs/dbraw/zinc/10/61/55/639106155.db2.gz WKNMYBDSZRFFLF-CVEARBPZSA-N 1 1 260.381 3.123 20 30 CGEDMO C#CCC[N@@H+](CCOC)Cc1nc2cc(C)ccc2s1 ZINC000859361954 639132604 /nfs/dbraw/zinc/13/26/04/639132604.db2.gz UQWZQASDLIUMGO-UHFFFAOYSA-N 1 1 288.416 3.076 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1nc2cc(C)ccc2s1 ZINC000859361954 639132607 /nfs/dbraw/zinc/13/26/07/639132607.db2.gz UQWZQASDLIUMGO-UHFFFAOYSA-N 1 1 288.416 3.076 20 30 CGEDMO C[C@H](c1ccc(F)nc1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000931332572 639136874 /nfs/dbraw/zinc/13/68/74/639136874.db2.gz IXUGVVYTCDDTKY-CYBMUJFWSA-N 1 1 295.361 3.406 20 30 CGEDMO C[C@H](c1ccc(F)nc1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000931332572 639136876 /nfs/dbraw/zinc/13/68/76/639136876.db2.gz IXUGVVYTCDDTKY-CYBMUJFWSA-N 1 1 295.361 3.406 20 30 CGEDMO N#CCCCC[N@H+]1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC000931369627 639141729 /nfs/dbraw/zinc/14/17/29/639141729.db2.gz RKGQEXYGPXEDBV-AWEZNQCLSA-N 1 1 282.391 3.436 20 30 CGEDMO N#CCCCC[N@H+]1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC000931793344 639205960 /nfs/dbraw/zinc/20/59/60/639205960.db2.gz AGHYJUDCIVYLPM-KRWDZBQOSA-N 1 1 280.375 3.051 20 30 CGEDMO C[C@H](C#N)OCC[N@H+](C)C[C@H](C)C1CCCCC1 ZINC000859866173 639244203 /nfs/dbraw/zinc/24/42/03/639244203.db2.gz HJHMEWZUOZEVCQ-UONOGXRCSA-N 1 1 252.402 3.063 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000859894712 639251491 /nfs/dbraw/zinc/25/14/91/639251491.db2.gz LEKVUXYCTQGHAK-UHFFFAOYSA-N 1 1 295.814 3.344 20 30 CGEDMO C[C@H](CC[N@H+]1CCC[C@H](C#N)C1)OCc1ccccc1 ZINC000932147846 639275173 /nfs/dbraw/zinc/27/51/73/639275173.db2.gz HXGWXVRYMOHKAJ-NVXWUHKLSA-N 1 1 272.392 3.217 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](C[C@@H]2CCc3ccccc3C2)C1 ZINC000932153679 639277177 /nfs/dbraw/zinc/27/71/77/639277177.db2.gz QLKKKKKNCTYAGQ-CABCVRRESA-N 1 1 254.377 3.027 20 30 CGEDMO Cn1nccc1[C@@H]1CCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000932261095 639302728 /nfs/dbraw/zinc/30/27/28/639302728.db2.gz NXXNNRVQOIDXAE-INIZCTEOSA-N 1 1 286.423 3.421 20 30 CGEDMO CC(C)(C)NC(=O)[C@H]1CCC[N@H+]1CCCCC(C)(C)C#N ZINC000932435165 639332161 /nfs/dbraw/zinc/33/21/61/639332161.db2.gz RKDYUWUOGJAPAT-CQSZACIVSA-N 1 1 293.455 3.086 20 30 CGEDMO N#Cc1cc(F)ccc1C[NH+]1CCC(F)(C2CC2)CC1 ZINC000932630614 639370047 /nfs/dbraw/zinc/37/00/47/639370047.db2.gz SFNPMRMUVJWJGG-UHFFFAOYSA-N 1 1 276.330 3.411 20 30 CGEDMO CC[C@@]1(C(=O)OC(C)(C)C)CCC[N@@H+](CCCC#N)C1 ZINC000932687210 639373468 /nfs/dbraw/zinc/37/34/68/639373468.db2.gz PHCVHHBWAAVSNW-MRXNPFEDSA-N 1 1 280.412 3.124 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCC[C@@H](C3CCOCC3)C2)cc1 ZINC000933089787 639416091 /nfs/dbraw/zinc/41/60/91/639416091.db2.gz WTRIXFSIGWOHHN-LJQANCHMSA-N 1 1 298.430 3.239 20 30 CGEDMO C#CC[N@H+](CCC[C@@H](C)O)[C@@H]1CCCc2ccccc21 ZINC000933417096 639448589 /nfs/dbraw/zinc/44/85/89/639448589.db2.gz FTBALRQKIDTWLA-CRAIPNDOSA-N 1 1 271.404 3.160 20 30 CGEDMO CCn1ccnc1C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000933610993 639469462 /nfs/dbraw/zinc/46/94/62/639469462.db2.gz OSQMOROKSXXRPU-UHFFFAOYSA-N 1 1 294.402 3.154 20 30 CGEDMO N#Cc1ccc([C@H]2C[N@@H+](CCCC3CC3)CCO2)cc1 ZINC000933629384 639472254 /nfs/dbraw/zinc/47/22/54/639472254.db2.gz BPCOBNLIKZJMDU-QGZVFWFLSA-N 1 1 270.376 3.122 20 30 CGEDMO CCC[C@@H](C)[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933630946 639472599 /nfs/dbraw/zinc/47/25/99/639472599.db2.gz WOBNEJIOHPAMKB-CZUORRHYSA-N 1 1 258.365 3.120 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCCSC[C@@H]2C2CC2)c1F ZINC000933915177 639507084 /nfs/dbraw/zinc/50/70/84/639507084.db2.gz OUVDIKCAONFOJE-OAHLLOKOSA-N 1 1 290.407 3.415 20 30 CGEDMO C=CCCC[N@H+](CC)CC(=O)Nc1ccc(F)cc1F ZINC000934646796 639648960 /nfs/dbraw/zinc/64/89/60/639648960.db2.gz WBCJUDLGFWSZFU-UHFFFAOYSA-N 1 1 282.334 3.191 20 30 CGEDMO C#Cc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)cc1 ZINC000934935611 639719110 /nfs/dbraw/zinc/71/91/10/639719110.db2.gz REDRVAZFARUDDC-RHSMWYFYSA-N 1 1 299.418 3.004 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000935027699 639734395 /nfs/dbraw/zinc/73/43/95/639734395.db2.gz QGHADOSAKBJVQF-IAGOWNOFSA-N 1 1 299.418 3.020 20 30 CGEDMO CC1(C)CC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000076012511 640167331 /nfs/dbraw/zinc/16/73/31/640167331.db2.gz TXZQIYVPDCTGTE-UHFFFAOYSA-N 1 1 258.365 3.059 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000193546558 640471297 /nfs/dbraw/zinc/47/12/97/640471297.db2.gz KDHAIUQQJKNJBN-OAHLLOKOSA-N 1 1 267.413 3.208 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000245503504 640622117 /nfs/dbraw/zinc/62/21/17/640622117.db2.gz IELXCZUSFXXPRT-UONOGXRCSA-N 1 1 258.365 3.209 20 30 CGEDMO Cc1noc(C)c1C[N@@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000091812606 640721580 /nfs/dbraw/zinc/72/15/80/640721580.db2.gz UCHFQJQLUIAWJK-GFCCVEGCSA-N 1 1 299.374 3.214 20 30 CGEDMO Cc1noc(C)c1C[N@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000091812606 640721588 /nfs/dbraw/zinc/72/15/88/640721588.db2.gz UCHFQJQLUIAWJK-GFCCVEGCSA-N 1 1 299.374 3.214 20 30 CGEDMO C[C@@H]1CC[N@@H+](CCCOc2ccc(C#N)cc2)[C@H]1C ZINC000248356975 640752991 /nfs/dbraw/zinc/75/29/91/640752991.db2.gz OYWTZCVDYQKFKT-KGLIPLIRSA-N 1 1 258.365 3.057 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C2(C)CCCCCC2)C1 ZINC001007511251 640941821 /nfs/dbraw/zinc/94/18/21/640941821.db2.gz AASRSFGNZJRBGB-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C2CCC3(CC3)CC2)C1 ZINC001007973431 640945477 /nfs/dbraw/zinc/94/54/77/640945477.db2.gz RYQOUNUHMSUFLD-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](CC3CCCC3)C2)C1 ZINC001008438401 640950328 /nfs/dbraw/zinc/95/03/28/640950328.db2.gz XVLRJVGAUUVZRW-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2occc2CC)C1 ZINC001008433382 640950479 /nfs/dbraw/zinc/95/04/79/640950479.db2.gz NMSMBVALFFNAPL-OAHLLOKOSA-N 1 1 290.407 3.002 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001008464672 640952460 /nfs/dbraw/zinc/95/24/60/640952460.db2.gz ONEPQRCLMSPHKM-BQFCYCMXSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C(C)C)c2)C1 ZINC001009089708 640956551 /nfs/dbraw/zinc/95/65/51/640956551.db2.gz BCYQWPXPMVCGOG-QGZVFWFLSA-N 1 1 286.419 3.190 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2cccc(C)c2C)C1 ZINC001009383099 640958808 /nfs/dbraw/zinc/95/88/08/640958808.db2.gz DYHHXPSBDPHIGE-MRXNPFEDSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2C2CC2)C1 ZINC001009428899 640959300 /nfs/dbraw/zinc/95/93/00/640959300.db2.gz ZPPJAEXQXGQCPN-CYBMUJFWSA-N 1 1 290.432 3.006 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)c2sccc2C2CC2)C1 ZINC001009428899 640959304 /nfs/dbraw/zinc/95/93/04/640959304.db2.gz ZPPJAEXQXGQCPN-CYBMUJFWSA-N 1 1 290.432 3.006 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001009698909 640962913 /nfs/dbraw/zinc/96/29/13/640962913.db2.gz UUIJQVJOPANGFH-UYSNPLJNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2C2(C)CC2)C1 ZINC001015689657 640984291 /nfs/dbraw/zinc/98/42/91/640984291.db2.gz NHUUWHLJQLSCLE-OAHLLOKOSA-N 1 1 298.430 3.118 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C2CCCCC2)C1 ZINC001015814998 640986380 /nfs/dbraw/zinc/98/63/80/640986380.db2.gz QZECYCIFZBTUIF-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C2CCCCC2)C1 ZINC001015814516 640987352 /nfs/dbraw/zinc/98/73/52/640987352.db2.gz MVKNGCBSZUSAED-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@]2(C)CCC(C)=C(C)C2)C1 ZINC001016370347 640996573 /nfs/dbraw/zinc/99/65/73/640996573.db2.gz CKSHHPMJGULROH-SJLPKXTDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C=C1CCCCC1 ZINC001017394894 641012153 /nfs/dbraw/zinc/01/21/53/641012153.db2.gz BYICBQQNQVLACY-CALCHBBNSA-N 1 1 288.435 3.128 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(=C)Cl ZINC001017585123 641015332 /nfs/dbraw/zinc/01/53/32/641015332.db2.gz XFPCOPCCFDQDAO-OKILXGFUSA-N 1 1 296.842 3.016 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(=C)Cl ZINC001017585123 641015335 /nfs/dbraw/zinc/01/53/35/641015335.db2.gz XFPCOPCCFDQDAO-OKILXGFUSA-N 1 1 296.842 3.016 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[C@H](C)C1 ZINC001017821642 641016997 /nfs/dbraw/zinc/01/69/97/641016997.db2.gz DPRDIJGBNSBWKU-LUKYLMHMSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC(C)(C)C1 ZINC001017906856 641018945 /nfs/dbraw/zinc/01/89/45/641018945.db2.gz DMSBNUILAQBZBX-HRCADAONSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC(C)(C)C1 ZINC001017906856 641018947 /nfs/dbraw/zinc/01/89/47/641018947.db2.gz DMSBNUILAQBZBX-HRCADAONSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1ccccc1 ZINC001018190063 641020816 /nfs/dbraw/zinc/02/08/16/641020816.db2.gz IILUFNAVSKOIJC-NXHRZFHOSA-N 1 1 298.430 3.041 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1ccccc1 ZINC001018190063 641020823 /nfs/dbraw/zinc/02/08/23/641020823.db2.gz IILUFNAVSKOIJC-NXHRZFHOSA-N 1 1 298.430 3.041 20 30 CGEDMO COCC[C@@H]([NH2+]CC#Cc1ccccc1)c1ccc(C)o1 ZINC000276911291 641029532 /nfs/dbraw/zinc/02/95/32/641029532.db2.gz FRPKKCSJFZBPED-QGZVFWFLSA-N 1 1 283.371 3.307 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(C(F)F)cc1 ZINC001155845108 805614893 /nfs/dbraw/zinc/61/48/93/805614893.db2.gz KNNUVSONPQWHOV-GFCCVEGCSA-N 1 1 296.361 3.250 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)c1cc(C)oc1C ZINC001155851055 805615181 /nfs/dbraw/zinc/61/51/81/805615181.db2.gz RXRCAVLLZFZDPE-OCCSQVGLSA-N 1 1 292.423 3.013 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)CCCCC(C)C ZINC001155895757 805623499 /nfs/dbraw/zinc/62/34/99/805623499.db2.gz XGUICGVYBBEVJW-OAHLLOKOSA-N 1 1 268.445 3.215 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](CC)C(C)(C)C ZINC001156319431 805674881 /nfs/dbraw/zinc/67/48/81/805674881.db2.gz VLUABXNGXKIPPX-HUUCEWRRSA-N 1 1 282.472 3.461 20 30 CGEDMO C[N@H+]1CCC[C@@H](CCNc2ccc(C3(C#N)CCC3)cn2)C1 ZINC001156379668 805679788 /nfs/dbraw/zinc/67/97/88/805679788.db2.gz WPVSHGNUIHNPOW-HNNXBMFYSA-N 1 1 298.434 3.171 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1oc(CC)cc1C ZINC001156403998 805684306 /nfs/dbraw/zinc/68/43/06/805684306.db2.gz XAEPTPMJUMYARQ-CQSZACIVSA-N 1 1 292.423 3.167 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)c1ccccc1 ZINC001156421648 805688669 /nfs/dbraw/zinc/68/86/69/805688669.db2.gz GPPXBQKGLZBXHD-CVEARBPZSA-N 1 1 288.435 3.193 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)c1ccccc1 ZINC001156490360 805703150 /nfs/dbraw/zinc/70/31/50/805703150.db2.gz AXEBKCWMPJENLY-HZPDHXFCSA-N 1 1 288.435 3.193 20 30 CGEDMO N#Cc1cccc(CCc2[nH]c3cc4c(cc3[nH+]2)OCC4)c1 ZINC001250581622 805705704 /nfs/dbraw/zinc/70/57/04/805705704.db2.gz ILDRXAZVAGBJDL-UHFFFAOYSA-N 1 1 289.338 3.155 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)C(C)(F)F ZINC001156629986 805721645 /nfs/dbraw/zinc/72/16/45/805721645.db2.gz XAZWQUHNGCFBBI-GFCCVEGCSA-N 1 1 290.398 3.071 20 30 CGEDMO Cc1[nH+]c(NCc2ccc3c(c2)CCO3)ccc1CC#N ZINC001156974751 805761105 /nfs/dbraw/zinc/76/11/05/805761105.db2.gz LCZKCMVNTKQQBH-UHFFFAOYSA-N 1 1 279.343 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C[C@H](C)C1CC1 ZINC001157145664 805784978 /nfs/dbraw/zinc/78/49/78/805784978.db2.gz HGEXHMLJSNLUOT-WCQYABFASA-N 1 1 286.847 3.002 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)C1CC1 ZINC001157145664 805784984 /nfs/dbraw/zinc/78/49/84/805784984.db2.gz HGEXHMLJSNLUOT-WCQYABFASA-N 1 1 286.847 3.002 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)C12CC(C(C)(C)C)(C1)C2 ZINC001157229386 805791379 /nfs/dbraw/zinc/79/13/79/805791379.db2.gz VZZIECGVJMXPNI-RWBZWWBESA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCCCCCNC(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[N@@H+]2C1 ZINC001157258673 805793632 /nfs/dbraw/zinc/79/36/32/805793632.db2.gz UGIYINUCRPISQI-GVDBMIGSSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCCN1C(=O)CSC ZINC001157493857 805823197 /nfs/dbraw/zinc/82/31/97/805823197.db2.gz UHZZDURVVGTYBA-LSDHHAIUSA-N 1 1 298.496 3.017 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)CCC ZINC001157718499 805858464 /nfs/dbraw/zinc/85/84/64/805858464.db2.gz UCLHACSBDAXVBV-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)/C(C)=C\C ZINC001157784348 805869798 /nfs/dbraw/zinc/86/97/98/805869798.db2.gz NRHHKNRMXGFEFM-OBHDYHNASA-N 1 1 278.440 3.232 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC1CC(C)(C)C1 ZINC001158397782 805949138 /nfs/dbraw/zinc/94/91/38/805949138.db2.gz OGQSLXFCUOVUTC-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)C[C@@H](F)CC ZINC001158419439 805952862 /nfs/dbraw/zinc/95/28/62/805952862.db2.gz PMRXTCXAHJIDTO-JKSUJKDBSA-N 1 1 298.446 3.404 20 30 CGEDMO CCCCCCCC[C@H](O)C[NH2+]C1(c2ncccn2)CC1 ZINC001252139885 806025513 /nfs/dbraw/zinc/02/55/13/806025513.db2.gz UBQJUKDXMIALND-HNNXBMFYSA-N 1 1 291.439 3.167 20 30 CGEDMO CCCCCCCC[C@H](O)C[NH2+]CC(C)(C)CN(C)C ZINC001252135077 806022806 /nfs/dbraw/zinc/02/28/06/806022806.db2.gz XEQIPNAUKQYOPI-INIZCTEOSA-N 1 1 286.504 3.275 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+]1CCCC[C@@H]1c1ccccc1F ZINC001252554036 806062177 /nfs/dbraw/zinc/06/21/77/806062177.db2.gz AHVIBHBRDMZIKU-HZPDHXFCSA-N 1 1 263.356 3.290 20 30 CGEDMO C=C[C@@](C)(O)C[N@@H+]1CCC[C@H]1c1ccccc1SC ZINC001252556364 806064079 /nfs/dbraw/zinc/06/40/79/806064079.db2.gz CRLFNWHZDAJSDT-GOEBONIOSA-N 1 1 277.433 3.482 20 30 CGEDMO C=C[C@](C)(O)C[N@@H+](Cc1ccccc1)C[Si](C)(C)C ZINC001252555444 806064257 /nfs/dbraw/zinc/06/42/57/806064257.db2.gz VISOQQUFOWMOMG-INIZCTEOSA-N 1 1 277.484 3.303 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+]1CCC[C@H]1c1cc(F)ccc1F ZINC001252555679 806064671 /nfs/dbraw/zinc/06/46/71/806064671.db2.gz ZXOZXGMTDFDBTF-LSDHHAIUSA-N 1 1 267.319 3.039 20 30 CGEDMO C=C[C@](C)(O)C[N@@H+](Cc1ccccn1)C1CCCCC1 ZINC001252560964 806065432 /nfs/dbraw/zinc/06/54/32/806065432.db2.gz WQIKJKWUKMNYOQ-KRWDZBQOSA-N 1 1 274.408 3.153 20 30 CGEDMO C=C[C@](C)(O)C[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC001252559149 806065718 /nfs/dbraw/zinc/06/57/18/806065718.db2.gz RNHSVLPMEJLABJ-FZMZJTMJSA-N 1 1 253.773 3.270 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CC[C@H](Sc2ccc(F)cc2)C1 ZINC001252601682 806081673 /nfs/dbraw/zinc/08/16/73/806081673.db2.gz CJXRXQBBUBKORQ-ZBFHGGJFSA-N 1 1 295.423 3.319 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](Cc1ccccc1)[C@@H](C)c1cc[nH]n1 ZINC001252602923 806082368 /nfs/dbraw/zinc/08/23/68/806082368.db2.gz IDVAEULJWVTKES-RDJZCZTQSA-N 1 1 299.418 3.300 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](Cc1ccccc1)[C@@H](C)c1cc[nH]n1 ZINC001252602923 806082377 /nfs/dbraw/zinc/08/23/77/806082377.db2.gz IDVAEULJWVTKES-RDJZCZTQSA-N 1 1 299.418 3.300 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[NH2+]Cc1c[nH]cn1 ZINC001252978982 806143899 /nfs/dbraw/zinc/14/38/99/806143899.db2.gz HTUIDLMRBAZGPZ-INIZCTEOSA-N 1 1 281.444 3.391 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[N@H+]1CCN2CC[C@H]2C1 ZINC001252982364 806145050 /nfs/dbraw/zinc/14/50/50/806145050.db2.gz CGGGSWRSXKKCBV-ROUUACIJSA-N 1 1 296.499 3.268 20 30 CGEDMO CCCCCCCCCC[C@H](O)CN1CC[N@@H+]2CC[C@H]2C1 ZINC001252982364 806145054 /nfs/dbraw/zinc/14/50/54/806145054.db2.gz CGGGSWRSXKKCBV-ROUUACIJSA-N 1 1 296.499 3.268 20 30 CGEDMO CCCCCCCCCC[C@H](O)CN1CC[N@H+]2CC[C@H]2C1 ZINC001252982364 806145061 /nfs/dbraw/zinc/14/50/61/806145061.db2.gz CGGGSWRSXKKCBV-ROUUACIJSA-N 1 1 296.499 3.268 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[NH2+]CCc1ccn[nH]1 ZINC001252987695 806148168 /nfs/dbraw/zinc/14/81/68/806148168.db2.gz VSRPSCIOQDZNAZ-KRWDZBQOSA-N 1 1 295.471 3.434 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+](C)Cc1ccncc1 ZINC001253233638 806186716 /nfs/dbraw/zinc/18/67/16/806186716.db2.gz JULOJQQTPSXPIC-QGZVFWFLSA-N 1 1 276.424 3.401 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CC[C@]2(CCCO2)C1 ZINC001253235796 806189150 /nfs/dbraw/zinc/18/91/50/806189150.db2.gz ODCQCANVLAGCCL-IAGOWNOFSA-N 1 1 281.440 3.129 20 30 CGEDMO CCc1nc(N[C@@H]2CCc3c2cccc3C#N)cc(C)[nH+]1 ZINC001159919123 806199645 /nfs/dbraw/zinc/19/96/45/806199645.db2.gz RULRBVZPYKAMSM-OAHLLOKOSA-N 1 1 278.359 3.319 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)C(C)=C2CCC2)CC1 ZINC001160070462 806220203 /nfs/dbraw/zinc/22/02/03/806220203.db2.gz SRZMRPGKMONHLZ-UHFFFAOYSA-N 1 1 288.435 3.201 20 30 CGEDMO C=C[C@@H](O)C[N@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001253581902 806263785 /nfs/dbraw/zinc/26/37/85/806263785.db2.gz FAESETJKBZMZMS-TZMCWYRMSA-N 1 1 285.309 3.042 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NCCC1=CC[N@@H+](CC(=C)C)CC1 ZINC001160960857 806328976 /nfs/dbraw/zinc/32/89/76/806328976.db2.gz ACNSMWBVXNEQIM-MRXNPFEDSA-N 1 1 290.451 3.303 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1cc(C)nc(C(C)(C)C)n1 ZINC001160957346 806329128 /nfs/dbraw/zinc/32/91/28/806329128.db2.gz JOTQQFLCAFGTQF-AWEZNQCLSA-N 1 1 288.439 3.145 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NCCC1=CC[N@@H+](CCCF)CC1 ZINC001160968874 806329871 /nfs/dbraw/zinc/32/98/71/806329871.db2.gz ZEATVFITKPMBEE-OAHLLOKOSA-N 1 1 296.430 3.087 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC2(C)C)CC1 ZINC001160972497 806331341 /nfs/dbraw/zinc/33/13/41/806331341.db2.gz ISMHDCKAZZBGLC-MRXNPFEDSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)C(C)(C)C2CC2)CC1 ZINC001160979876 806332780 /nfs/dbraw/zinc/33/27/80/806332780.db2.gz QCQUMRYEBZVJBQ-UHFFFAOYSA-N 1 1 290.451 3.137 20 30 CGEDMO CCCCOC(=O)CC[C@H](C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC001257399518 807137205 /nfs/dbraw/zinc/13/72/05/807137205.db2.gz DAVQOGALRROCLP-GJZGRUSLSA-N 1 1 280.412 3.124 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)CCC(C)(C)C)CC1 ZINC001161513989 806386803 /nfs/dbraw/zinc/38/68/03/806386803.db2.gz JQIPCTHXXBBUND-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H](C)[C@H](C)CC)CC1 ZINC001161605040 806397494 /nfs/dbraw/zinc/39/74/94/806397494.db2.gz QQPAGKRDVXTLMA-HZPDHXFCSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC001254559138 806449303 /nfs/dbraw/zinc/44/93/03/806449303.db2.gz YTKJYMVLZQGMTM-INIZCTEOSA-N 1 1 268.360 3.012 20 30 CGEDMO CC[N@@H+](CCC#N)C1CCN(c2ccc(F)cc2)CC1 ZINC001254627150 806463166 /nfs/dbraw/zinc/46/31/66/806463166.db2.gz BJPMCNDWMWPGQZ-UHFFFAOYSA-N 1 1 275.371 3.030 20 30 CGEDMO COc1ccc(-c2nc(C[NH2+][C@H]3CC[C@H](C#N)C3)co2)cc1 ZINC001254650327 806474328 /nfs/dbraw/zinc/47/43/28/806474328.db2.gz UUZCPFMTIVFNHX-JSGCOSHPSA-N 1 1 297.358 3.132 20 30 CGEDMO C[N@@H+](Cc1ncccc1C(F)(F)F)[C@H]1CC[C@@H](C#N)C1 ZINC001254661562 806477742 /nfs/dbraw/zinc/47/77/42/806477742.db2.gz VLFWPXTYNIQFMW-MNOVXSKESA-N 1 1 283.297 3.224 20 30 CGEDMO N#C[C@@H]1CC[C@@H](N2CCCC[C@H]2CC[NH+]2CCCC2)C1 ZINC001254669002 806479835 /nfs/dbraw/zinc/47/98/35/806479835.db2.gz MMHBTJGUOOCTKM-IXDOHACOSA-N 1 1 275.440 3.019 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCSC[C@H]2c2ccccc2)C1 ZINC001254669869 806480037 /nfs/dbraw/zinc/48/00/37/806480037.db2.gz WMEDPKHNYFMIDL-BMFZPTHFSA-N 1 1 272.417 3.469 20 30 CGEDMO N#C[C@H]1CC[C@H]([N@H+]2CCCN(c3ccc(F)cc3)CC2)C1 ZINC001254677243 806484916 /nfs/dbraw/zinc/48/49/16/806484916.db2.gz RKYFSFBVRQFEPX-YOEHRIQHSA-N 1 1 287.382 3.030 20 30 CGEDMO CN([C@H]1CC[C@H](C#N)C1)C1CC[NH+](C2CCCCC2)CC1 ZINC001254677238 806485400 /nfs/dbraw/zinc/48/54/00/806485400.db2.gz RKSBJUAQXQZUFS-YJBOKZPZSA-N 1 1 289.467 3.408 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)C[C@H](C)C2CC2)CC1 ZINC001161959313 806491507 /nfs/dbraw/zinc/49/15/07/806491507.db2.gz OQACSMHEUAOKCR-HNNXBMFYSA-N 1 1 290.451 3.137 20 30 CGEDMO Cc1cc(NCCCC[N@@H+]2CCCC[C@H]2C)ncc1C#N ZINC001162163063 806518180 /nfs/dbraw/zinc/51/81/80/806518180.db2.gz UPBXKDFDIPBGKN-OAHLLOKOSA-N 1 1 286.423 3.328 20 30 CGEDMO CC[C@@H](CC#N)[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC001255156624 806556118 /nfs/dbraw/zinc/55/61/18/806556118.db2.gz MFPMBGLNTGZFEW-HZMBPMFUSA-N 1 1 250.292 3.234 20 30 CGEDMO CC[C@@H](CC#N)[NH+]1CCC2(CC1)CC(=O)Nc1ccccc12 ZINC001255172281 806565314 /nfs/dbraw/zinc/56/53/14/806565314.db2.gz MNJJAANXLNPJLD-AWEZNQCLSA-N 1 1 297.402 3.055 20 30 CGEDMO CC[C@@H](CC#N)[N@H+]1CC[C@@]2(c3ccccc3OC2=O)C1(C)C ZINC001255178168 806569866 /nfs/dbraw/zinc/56/98/66/806569866.db2.gz BOLVBWZWOLYFPQ-UGSOOPFHSA-N 1 1 298.386 3.020 20 30 CGEDMO CC[C@@H](CC#N)[N@@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001255177293 806570400 /nfs/dbraw/zinc/57/04/00/806570400.db2.gz PPCIFBFXQLVXDV-RDJZCZTQSA-N 1 1 283.375 3.094 20 30 CGEDMO CC[C@@H](CC#N)[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001255177293 806570403 /nfs/dbraw/zinc/57/04/03/806570403.db2.gz PPCIFBFXQLVXDV-RDJZCZTQSA-N 1 1 283.375 3.094 20 30 CGEDMO C=CC[N@H+]([C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OCC)C(C)(C)C ZINC001255213363 806577970 /nfs/dbraw/zinc/57/79/70/806577970.db2.gz VGTOSTLZNMRYAV-QDMKHBRRSA-N 1 1 294.439 3.425 20 30 CGEDMO COc1ccc2[nH+]c(C)cc(NCC3(C#N)CCC3)c2c1 ZINC001162414624 806582383 /nfs/dbraw/zinc/58/23/83/806582383.db2.gz JWVXJGCDABNVSW-UHFFFAOYSA-N 1 1 281.359 3.080 20 30 CGEDMO C#CC1(Nc2[nH+]cnc3[nH]c(C)c(C)c32)CCCCC1 ZINC001162478468 806594306 /nfs/dbraw/zinc/59/43/06/806594306.db2.gz GGONSULXPVTYGX-UHFFFAOYSA-N 1 1 268.364 3.323 20 30 CGEDMO C#CC1(Nc2cc(N3CCCC3)[nH+]c(C)n2)CCCCC1 ZINC001162478448 806594486 /nfs/dbraw/zinc/59/44/86/806594486.db2.gz FNKMOTGEQJHJLN-UHFFFAOYSA-N 1 1 284.407 3.133 20 30 CGEDMO Cc1nc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2)c(C)s1 ZINC000037748358 798872784 /nfs/dbraw/zinc/87/27/84/798872784.db2.gz ZJASQYXZGPYCRQ-SNVBAGLBSA-N 1 1 271.389 3.482 20 30 CGEDMO C[N@@H+](CCCNCc1cccc(C#N)c1)C1CCCCC1 ZINC000037860335 798877240 /nfs/dbraw/zinc/87/72/40/798877240.db2.gz XBISWPLRIOZJMS-UHFFFAOYSA-N 1 1 285.435 3.302 20 30 CGEDMO C#C[C@H](C)Nc1[nH+]cnc2c1ccn2Cc1cccc(F)c1 ZINC001163159274 806708772 /nfs/dbraw/zinc/70/87/72/806708772.db2.gz AJRIAGKWXCPRQA-LBPRGKRZSA-N 1 1 294.333 3.052 20 30 CGEDMO C=CCCCC(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000176573165 799101082 /nfs/dbraw/zinc/10/10/82/799101082.db2.gz XALXXSIKROCPFT-MRXNPFEDSA-N 1 1 273.376 3.160 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000370062994 799341813 /nfs/dbraw/zinc/34/18/13/799341813.db2.gz NUHRHPXZQRLFNI-RHSMWYFYSA-N 1 1 294.402 3.232 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](Nc2cc(Cl)ncc2C#N)[C@H](C)C1 ZINC001163365139 806749970 /nfs/dbraw/zinc/74/99/70/806749970.db2.gz XNMYEVCXYGLBGQ-DGCLKSJQSA-N 1 1 292.814 3.137 20 30 CGEDMO CC(C)C[C@H]1CCC[N@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC000402198625 799560369 /nfs/dbraw/zinc/56/03/69/799560369.db2.gz IGJFPROBIYABDE-SJORKVTESA-N 1 1 272.392 3.102 20 30 CGEDMO C#C[C@H]([NH2+]Cc1cccc(O)c1Cl)C(C)(C)C ZINC000702235854 799905657 /nfs/dbraw/zinc/90/56/57/799905657.db2.gz FKOVCIQEXZHXJC-LBPRGKRZSA-N 1 1 251.757 3.183 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001255915599 806788396 /nfs/dbraw/zinc/78/83/96/806788396.db2.gz OVHINPVGOHXXOF-CQSZACIVSA-N 1 1 282.428 3.284 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](CF)C2)c(Cl)c1 ZINC000711436715 800059095 /nfs/dbraw/zinc/05/90/95/800059095.db2.gz YDBWNTHIMDXUDD-LLVKDONJSA-N 1 1 252.720 3.003 20 30 CGEDMO Cc1cc(F)c(C#N)c(NC[C@H]2CCCC[N@H+](C)C2)c1 ZINC001163734565 806811421 /nfs/dbraw/zinc/81/14/21/806811421.db2.gz ZWWYPVVPDCBIFA-CYBMUJFWSA-N 1 1 275.371 3.150 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2nc3c(s2)CCCC3)s1 ZINC000719529626 800241444 /nfs/dbraw/zinc/24/14/44/800241444.db2.gz DNRXAVXUSSPEFO-UHFFFAOYSA-N 1 1 289.429 3.245 20 30 CGEDMO C[C@H]1[C@H](Nc2ccc(C(F)(F)F)c(C#N)c2)CC[N@H+]1C ZINC000719626116 800247756 /nfs/dbraw/zinc/24/77/56/800247756.db2.gz QLHKOEPQRHYRJO-TVQRCGJNSA-N 1 1 283.297 3.082 20 30 CGEDMO C[C@H]1Cc2cc(C[N@H+]3CCC[C@H](CC#N)C3)ccc2O1 ZINC000720829713 800268740 /nfs/dbraw/zinc/26/87/40/800268740.db2.gz QXUUXHFVKRJOAK-UONOGXRCSA-N 1 1 270.376 3.136 20 30 CGEDMO CCC1(CC)CCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000721220260 800282501 /nfs/dbraw/zinc/28/25/01/800282501.db2.gz HFUNSPUQXRXFTH-MRXNPFEDSA-N 1 1 272.392 3.246 20 30 CGEDMO N#Cc1ccc(C[N@@H+](Cc2ccoc2)C2CC2)cc1 ZINC000723740590 800337507 /nfs/dbraw/zinc/33/75/07/800337507.db2.gz WQQPBBFSJCNKAM-UHFFFAOYSA-N 1 1 252.317 3.316 20 30 CGEDMO CCCC[N@@H+](C)C[C@H](C)/N=C\c1cc(OCC)ccc1O ZINC000809144534 800413102 /nfs/dbraw/zinc/41/31/02/800413102.db2.gz OFWXCLPRLCRBPV-HIXWQLQUSA-N 1 1 292.423 3.330 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000809546855 800445055 /nfs/dbraw/zinc/44/50/55/800445055.db2.gz ZBKOLECPUBKPPK-UHFFFAOYSA-N 1 1 260.340 3.172 20 30 CGEDMO COC(=O)[C@@H]1CC[N@@H+](CCCCC2(C#N)CCC2)[C@H](C)C1 ZINC000933167557 800672090 /nfs/dbraw/zinc/67/20/90/800672090.db2.gz RSDZLQIBVSFIIS-HUUCEWRRSA-N 1 1 292.423 3.124 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)c2ccc(CC)cc2)CC1 ZINC001001423050 800697153 /nfs/dbraw/zinc/69/71/53/800697153.db2.gz NEMMUESUEQEOOA-UHFFFAOYSA-N 1 1 298.430 3.187 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)c2cccc(C)c2)C1 ZINC001023216340 800708774 /nfs/dbraw/zinc/70/87/74/800708774.db2.gz WUSCTGOGLYFBTK-MRXNPFEDSA-N 1 1 286.419 3.013 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(Cl)s2)C1 ZINC001023734880 800715465 /nfs/dbraw/zinc/71/54/65/800715465.db2.gz GLVSVSUJDCWAKV-LLVKDONJSA-N 1 1 298.839 3.029 20 30 CGEDMO N#Cc1cccnc1NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001163942132 806854990 /nfs/dbraw/zinc/85/49/90/806854990.db2.gz MLKLHLHYPFUAGE-MRXNPFEDSA-N 1 1 284.407 3.162 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccsc1 ZINC001024318615 800724344 /nfs/dbraw/zinc/72/43/44/800724344.db2.gz BWNFXQBTFUJJFK-OAHLLOKOSA-N 1 1 292.448 3.299 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccsc1C ZINC001024434387 800728073 /nfs/dbraw/zinc/72/80/73/800728073.db2.gz ZSEJCICETMIYBH-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cscc1Cl ZINC001024496917 800729985 /nfs/dbraw/zinc/72/99/85/800729985.db2.gz FXJGTBOVKCRTIV-NSHDSACASA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC1(C)C ZINC001024612557 800732720 /nfs/dbraw/zinc/73/27/20/800732720.db2.gz QHJMRUZGVVNVMS-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC(C)(C)C1 ZINC001024818936 800736523 /nfs/dbraw/zinc/73/65/23/800736523.db2.gz IHWCGASVOGFPHI-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)C1CC(C(C)(C)C)C1 ZINC001024820423 800737178 /nfs/dbraw/zinc/73/71/78/800737178.db2.gz ZFTIQDHESQDUPG-GPANFISMSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC001024789634 800737866 /nfs/dbraw/zinc/73/78/66/800737866.db2.gz XGWBOLOKRZWTGH-QGZVFWFLSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2sccc2C)C1 ZINC001025310199 800753617 /nfs/dbraw/zinc/75/36/17/800753617.db2.gz FUJABVOKAUFHGL-KBPBESRZSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CC(C)(C)C2)C1 ZINC001025412523 800761144 /nfs/dbraw/zinc/76/11/44/800761144.db2.gz VUKRGAOJENTZLW-HUUCEWRRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CCC(=C)CC2)C1 ZINC001025525113 800761988 /nfs/dbraw/zinc/76/19/88/800761988.db2.gz YBVLKODSLZJFIT-NVXWUHKLSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C=C2CCCCC2)C1 ZINC001027323345 800792267 /nfs/dbraw/zinc/79/22/67/800792267.db2.gz ONIAUMFCEFHPJI-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2csc(C)c2C)C1 ZINC001027426144 800796771 /nfs/dbraw/zinc/79/67/71/800796771.db2.gz QQQKZHOYDVQUKP-CQSZACIVSA-N 1 1 292.448 3.087 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2cscc2Cl)C1 ZINC001027453875 800797138 /nfs/dbraw/zinc/79/71/38/800797138.db2.gz ADNCIRWHAMHKCU-NSHDSACASA-N 1 1 298.839 3.124 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001027487303 800797861 /nfs/dbraw/zinc/79/78/61/800797861.db2.gz QKQFLHMBHILORM-ARFHVFGLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C2(C)CCCC2)C1 ZINC001027512035 800799692 /nfs/dbraw/zinc/79/96/92/800799692.db2.gz JIJAHSINIHHMNA-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(C)cc2C)C1 ZINC001027668929 800809937 /nfs/dbraw/zinc/80/99/37/800809937.db2.gz ZHDQMXGYFBTTKI-MRXNPFEDSA-N 1 1 286.419 3.026 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001027688859 800811007 /nfs/dbraw/zinc/81/10/07/800811007.db2.gz BMKWTQQEZRSOPO-FUHWJXTLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)C[C@H](C)C2CC2)C1 ZINC001027694783 800813320 /nfs/dbraw/zinc/81/33/20/800813320.db2.gz BXXSUZSNUGWVSL-WFASDCNBSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)C[C@H](C)C2CC2)C1 ZINC001027694783 800813326 /nfs/dbraw/zinc/81/33/26/800813326.db2.gz BXXSUZSNUGWVSL-WFASDCNBSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1oc(C)cc1C ZINC001027814657 800821542 /nfs/dbraw/zinc/82/15/42/800821542.db2.gz BYSDRIGRVARDPI-HNNXBMFYSA-N 1 1 290.407 3.057 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1c(C)coc1C ZINC001027863070 800824203 /nfs/dbraw/zinc/82/42/03/800824203.db2.gz BYYGSANLAGWARS-HNNXBMFYSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001027890703 800824542 /nfs/dbraw/zinc/82/45/42/800824542.db2.gz GNGBPQNLGNCEFS-HRCADAONSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1csc(C)c1C ZINC001027904366 800825470 /nfs/dbraw/zinc/82/54/70/800825470.db2.gz BUEZCMWKGZGZCH-CQSZACIVSA-N 1 1 292.448 3.135 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)C12CCC(CC1)C2 ZINC001027971950 800828779 /nfs/dbraw/zinc/82/87/79/800828779.db2.gz OGJFAQQZBSHCSI-PQUAAJSLSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001028279393 800837226 /nfs/dbraw/zinc/83/72/26/800837226.db2.gz ZGTZVMGKPVPMRU-BRWVUGGUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccoc1CCC ZINC001028263239 800838493 /nfs/dbraw/zinc/83/84/93/800838493.db2.gz MWDIWXFTWWAPER-AWEZNQCLSA-N 1 1 290.407 3.002 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2cccc(C)c2o1 ZINC001028337432 800842711 /nfs/dbraw/zinc/84/27/11/800842711.db2.gz SAZMIJBNWSKCRJ-HNNXBMFYSA-N 1 1 298.386 3.121 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1sccc1C(C)C ZINC001028332679 800842894 /nfs/dbraw/zinc/84/28/94/800842894.db2.gz BUUJPZAGUXIOTO-CYBMUJFWSA-N 1 1 292.448 3.252 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)C1CCC(C)(C)CC1 ZINC001028339311 800843099 /nfs/dbraw/zinc/84/30/99/800843099.db2.gz RQQHBYRMKMAAMN-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CNC(=O)C2CCCCCCC2)C1 ZINC001028680965 800849791 /nfs/dbraw/zinc/84/97/91/800849791.db2.gz MFUTZPZNXPDEJG-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C1CCC(C(=O)NC[C@H]2CC[N@H+](C[C@@H](C)CC)C2)CC1 ZINC001028779132 800852593 /nfs/dbraw/zinc/85/25/93/800852593.db2.gz VLIZYPJGWQWRQM-GOEBONIOSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CNC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001029013081 800857721 /nfs/dbraw/zinc/85/77/21/800857721.db2.gz SHRWETATLRSUCV-QQFBHYJXSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)CC ZINC001029453750 800869140 /nfs/dbraw/zinc/86/91/40/800869140.db2.gz KAHVVKCVMDRIGL-LISAXSMJSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)c2c(C)csc2Cl)C1 ZINC001031315706 800908724 /nfs/dbraw/zinc/90/87/24/800908724.db2.gz SGNYXQTWOSJTLQ-UHFFFAOYSA-N 1 1 298.839 3.090 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Cl)o2)C1 ZINC001032912449 800944125 /nfs/dbraw/zinc/94/41/25/800944125.db2.gz DNJURRQEWJMDDO-LBPRGKRZSA-N 1 1 296.798 3.046 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C)sc2C)C1 ZINC001033236706 800956324 /nfs/dbraw/zinc/95/63/24/800956324.db2.gz BWOQVBMWTGSPFY-CQSZACIVSA-N 1 1 292.448 3.087 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2occc2C(C)C)C1 ZINC001033354954 800960261 /nfs/dbraw/zinc/96/02/61/800960261.db2.gz GPSWHNQJMHTYMT-CQSZACIVSA-N 1 1 290.407 3.125 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CCCCC2(C)C)C1 ZINC001033710844 800976167 /nfs/dbraw/zinc/97/61/67/800976167.db2.gz KEGAYUUHDCMSFU-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)C2CCCCC2)C1 ZINC001033736200 800979865 /nfs/dbraw/zinc/97/98/65/800979865.db2.gz JMKRWFCIQHCVJR-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2csc(C)c2C)C1 ZINC001033845342 800985656 /nfs/dbraw/zinc/98/56/56/800985656.db2.gz FULKUATVRFXKFH-AWEZNQCLSA-N 1 1 292.448 3.087 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001033895362 800987991 /nfs/dbraw/zinc/98/79/91/800987991.db2.gz QOSLIIWUPHXIPY-BZUAXINKSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001033928161 800989174 /nfs/dbraw/zinc/98/91/74/800989174.db2.gz WGMDUKWNECQZRY-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001033960734 800990553 /nfs/dbraw/zinc/99/05/53/800990553.db2.gz HCHVWCNFGLHIKW-BRWVUGGUSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)C2CCC(C)(C)CC2)C1 ZINC001034050244 800996470 /nfs/dbraw/zinc/99/64/70/800996470.db2.gz HRQWJTULMJNKDW-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)C[C@@H]2C=CCC2)C1 ZINC001034094819 801004454 /nfs/dbraw/zinc/00/44/54/801004454.db2.gz IKWZTHRBIHUSPW-HUUCEWRRSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)C[C@@H]2C=CCC2)C1 ZINC001034094819 801004457 /nfs/dbraw/zinc/00/44/57/801004457.db2.gz IKWZTHRBIHUSPW-HUUCEWRRSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)C2CCCC2)C1 ZINC001034243960 801012217 /nfs/dbraw/zinc/01/22/17/801012217.db2.gz NCAIHLVMLZOKLX-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001034225136 801012499 /nfs/dbraw/zinc/01/24/99/801012499.db2.gz FGUSBTPBXAJIBD-WMZOPIPTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)C2(F)CCCC2)C1 ZINC001034280835 801015709 /nfs/dbraw/zinc/01/57/09/801015709.db2.gz XZPRVYUCKZTFOO-OAHLLOKOSA-N 1 1 296.430 3.206 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)C2CCC=CCC2)C1 ZINC001034531189 801031397 /nfs/dbraw/zinc/03/13/97/801031397.db2.gz JBJRZDPEIJPBFA-KRWDZBQOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001034547412 801033765 /nfs/dbraw/zinc/03/37/65/801033765.db2.gz QKCRJNZWAGCLSL-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C3CCCC3)CC[C@@H]21 ZINC001036622910 801083318 /nfs/dbraw/zinc/08/33/18/801083318.db2.gz SABBSIYJUHZZCG-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)CCC3CC3)CC[C@@H]21 ZINC001036669509 801086379 /nfs/dbraw/zinc/08/63/79/801086379.db2.gz FSFSMUVFCOBZDC-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C(CC)CC)CC[C@H]21 ZINC001036652761 801087133 /nfs/dbraw/zinc/08/71/33/801087133.db2.gz XUEIATOUIZIENB-HUUCEWRRSA-N 1 1 298.858 3.098 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CC3(C)CCCC3)CC[C@@H]21 ZINC001036706819 801088112 /nfs/dbraw/zinc/08/81/12/801088112.db2.gz DZLHYMNPTBJJKN-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CCC3CCC3)CC[C@H]21 ZINC001036681316 801088960 /nfs/dbraw/zinc/08/89/60/801088960.db2.gz KQFNQQKIPPDHAC-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2CN(C(=O)C(CC)(CC)CC)CC[C@@H]21 ZINC001036856508 801092717 /nfs/dbraw/zinc/09/27/17/801092717.db2.gz SIULJUKWCVNLHQ-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001038246563 801123157 /nfs/dbraw/zinc/12/31/57/801123157.db2.gz NHAGKGROZIIIBZ-HZPDHXFCSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1C(C)C ZINC001038314870 801124988 /nfs/dbraw/zinc/12/49/88/801124988.db2.gz CEOLDBXEQHPTBY-HNNXBMFYSA-N 1 1 286.419 3.190 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C)c(Cl)c1 ZINC001038668448 801130088 /nfs/dbraw/zinc/13/00/88/801130088.db2.gz JVTIBKWIODMYTN-AWEZNQCLSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1ccc(Cl)c(C)c1 ZINC001038662947 801131031 /nfs/dbraw/zinc/13/10/31/801131031.db2.gz MDINMRGZANFLMP-CQSZACIVSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(C)c1Cl ZINC001038828259 801134224 /nfs/dbraw/zinc/13/42/24/801134224.db2.gz YQVVIQOYFGWVOD-CYBMUJFWSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1cccc(C)c1Cl ZINC001038828259 801134231 /nfs/dbraw/zinc/13/42/31/801134231.db2.gz YQVVIQOYFGWVOD-CYBMUJFWSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1C1CCC1 ZINC001038967448 801137764 /nfs/dbraw/zinc/13/77/64/801137764.db2.gz IQVWWFOJDFPTEM-MRXNPFEDSA-N 1 1 298.430 3.334 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]1CNC(=O)C1CCC(CCCC)CC1 ZINC001038996131 801140103 /nfs/dbraw/zinc/14/01/03/801140103.db2.gz MEEJDIHNGRVWNP-OFLPRAFFSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CNC(=O)C1CCC(CCCC)CC1 ZINC001038996131 801140106 /nfs/dbraw/zinc/14/01/06/801140106.db2.gz MEEJDIHNGRVWNP-OFLPRAFFSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C(C)C)C1 ZINC001039190409 801152178 /nfs/dbraw/zinc/15/21/78/801152178.db2.gz MBUZEGQHBFXRJX-LSDHHAIUSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC ZINC001039896808 801168373 /nfs/dbraw/zinc/16/83/73/801168373.db2.gz QDUJSHBFQWDEOG-UXLLHSPISA-N 1 1 278.440 3.064 20 30 CGEDMO C=C1CCC(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CC)C3)CC1 ZINC001040374125 801177395 /nfs/dbraw/zinc/17/73/95/801177395.db2.gz YZVYYYBQKCMFSS-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)C(CC)CC)C2)C1 ZINC001041077079 801186398 /nfs/dbraw/zinc/18/63/98/801186398.db2.gz FMPDFCKTIGVFGV-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(CCN(C(=O)CCC3CCC3)C2)C1 ZINC001041180471 801187635 /nfs/dbraw/zinc/18/76/35/801187635.db2.gz FQBXFMDSEJGMAE-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)C(=C)C)C2)C1 ZINC001041537617 801189112 /nfs/dbraw/zinc/18/91/12/801189112.db2.gz ZUIVEQMOVHQWPX-SFHVURJKSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)C(C)(C)C)C2)C1 ZINC001041540829 801189185 /nfs/dbraw/zinc/18/91/85/801189185.db2.gz QNVXGBPUYPOFER-GOSISDBHSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CCN(C(=O)C3CCCCC3)C[C@@H]21 ZINC001041909825 801195714 /nfs/dbraw/zinc/19/57/14/801195714.db2.gz KPTLEDTXFZVRCD-RDJZCZTQSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3C)C[C@H]21 ZINC001041914230 801197026 /nfs/dbraw/zinc/19/70/26/801197026.db2.gz BKKHCHFMYKBKPP-SJLPKXTDSA-N 1 1 298.430 3.108 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C3(C)CCCCC3)C[C@H]21 ZINC001042217268 801203325 /nfs/dbraw/zinc/20/33/25/801203325.db2.gz WMALXBFLPIPYTB-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[NH+]1CC(N(C)C(=O)c2ccccc2Cl)C1 ZINC001044216751 801232812 /nfs/dbraw/zinc/23/28/12/801232812.db2.gz SRUMZTZGIPMLOG-UHFFFAOYSA-N 1 1 292.810 3.062 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(C)C ZINC001045840763 801288943 /nfs/dbraw/zinc/28/89/43/801288943.db2.gz NPHAKTQLUNTQPA-RYRKJORJSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)C=C)C2 ZINC001045957182 801294817 /nfs/dbraw/zinc/29/48/17/801294817.db2.gz XTRGXVARGCKMKM-SFHVURJKSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H](F)CC)C2 ZINC001045956679 801295343 /nfs/dbraw/zinc/29/53/43/801295343.db2.gz LTSWMZBITWRHHX-DOTOQJQBSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001046226142 801302522 /nfs/dbraw/zinc/30/25/22/801302522.db2.gz LPYIJLLSRTUXLR-GOSISDBHSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc3occc3c2)C1 ZINC001046337725 801310527 /nfs/dbraw/zinc/31/05/27/801310527.db2.gz LCFMUJYTKKTBIU-GOSISDBHSA-N 1 1 298.386 3.203 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)c2cc(C)cc(Cl)c2)C1 ZINC001046486491 801311981 /nfs/dbraw/zinc/31/19/81/801311981.db2.gz JYBSXMQBHXTZEU-INIZCTEOSA-N 1 1 292.810 3.029 20 30 CGEDMO C=Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+](CC(=C)C)C2)cc1 ZINC001046643340 801319720 /nfs/dbraw/zinc/31/97/20/801319720.db2.gz AHRRETARWCSOPT-SFHVURJKSA-N 1 1 284.403 3.100 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001046792278 801326219 /nfs/dbraw/zinc/32/62/19/801326219.db2.gz COVFKVJVTZLAMV-LJQANCHMSA-N 1 1 298.430 3.028 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2cc3cc(C)ccc3o2)C1 ZINC001046854824 801328751 /nfs/dbraw/zinc/32/87/51/801328751.db2.gz VCCLYCRUUSPCKR-GOSISDBHSA-N 1 1 298.386 3.121 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)c2cc3cc(C)ccc3o2)C1 ZINC001046854825 801329331 /nfs/dbraw/zinc/32/93/31/801329331.db2.gz VCCLYCRUUSPCKR-SFHVURJKSA-N 1 1 298.386 3.121 20 30 CGEDMO C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CCCC1)C2 ZINC001048496318 801348588 /nfs/dbraw/zinc/34/85/88/801348588.db2.gz JEZMRYQHZSKJJN-ACHSLPGTSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+](C[C@H](C)CC)C[C@@H]2C1 ZINC001049036607 801355957 /nfs/dbraw/zinc/35/59/57/801355957.db2.gz YHZTZIRVFWECBC-CBZIJGRNSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CCCCC1 ZINC001049303140 801362285 /nfs/dbraw/zinc/36/22/85/801362285.db2.gz QTRNBXMKWKCZCA-DLBZAZTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC1CCCC1 ZINC001049304545 801363097 /nfs/dbraw/zinc/36/30/97/801363097.db2.gz PQHSSXVEWMGUHO-IAGOWNOFSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC(C)(C)C ZINC001049328077 801364291 /nfs/dbraw/zinc/36/42/91/801364291.db2.gz ROSLURURKANBDV-KBPBESRZSA-N 1 1 298.858 3.240 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC(C)(C)C ZINC001049328077 801364299 /nfs/dbraw/zinc/36/42/99/801364299.db2.gz ROSLURURKANBDV-KBPBESRZSA-N 1 1 298.858 3.240 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccsc1 ZINC001049310604 801364429 /nfs/dbraw/zinc/36/44/29/801364429.db2.gz ZFHFSKUJSLJLGY-GJZGRUSLSA-N 1 1 290.432 3.003 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)C1CCC1 ZINC001049619917 801378409 /nfs/dbraw/zinc/37/84/09/801378409.db2.gz XTZJELHKBYSARL-HOTGVXAUSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CCC1 ZINC001049643483 801379534 /nfs/dbraw/zinc/37/95/34/801379534.db2.gz DTNVCEJPDLKIKO-CVEARBPZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC(=C)C ZINC001049644713 801379916 /nfs/dbraw/zinc/37/99/16/801379916.db2.gz KOERWAQJCIZFQL-HOTGVXAUSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1CC ZINC001049739201 801386011 /nfs/dbraw/zinc/38/60/11/801386011.db2.gz XVKWYTKBOFPCDV-WCXIOVBPSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C=C)cc1 ZINC001049743463 801386420 /nfs/dbraw/zinc/38/64/20/801386420.db2.gz PWQBQIQRSUXLAP-ROUUACIJSA-N 1 1 296.414 3.195 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)CCC3CC3)[C@@H]2C1 ZINC001050002679 801397545 /nfs/dbraw/zinc/39/75/45/801397545.db2.gz WBTHBMSKFUAPIL-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C[C@H]1C[C@H](NC2(C#N)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001256528023 806910668 /nfs/dbraw/zinc/91/06/68/806910668.db2.gz XDUIBQYNAOGVTI-FUHWJXTLSA-N 1 1 297.446 3.465 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)c3ccc(C)cc3)[C@@H]2C1 ZINC001050189878 801399601 /nfs/dbraw/zinc/39/96/01/801399601.db2.gz UDUAIFCJYPPPJM-ZWKOTPCHSA-N 1 1 298.430 3.108 20 30 CGEDMO C=CCC[N@H+]1CCc2c(CNC(=O)C3CCC3)cccc2C1 ZINC001051274004 801416650 /nfs/dbraw/zinc/41/66/50/801416650.db2.gz AMLTUXDHGAYOID-UHFFFAOYSA-N 1 1 298.430 3.037 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C(C)=C2CCCC2)CC1 ZINC001052295218 801428561 /nfs/dbraw/zinc/42/85/61/801428561.db2.gz GFARJCUJKAVGDV-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)coc2C)CC1 ZINC001052354467 801430085 /nfs/dbraw/zinc/43/00/85/801430085.db2.gz ORRPEIFLZLTIJY-OAHLLOKOSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)CC1 ZINC001052409867 801434658 /nfs/dbraw/zinc/43/46/58/801434658.db2.gz PRJIXVYTTMLPOZ-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C(C)C)CC1 ZINC001052431241 801434800 /nfs/dbraw/zinc/43/48/00/801434800.db2.gz LTQATGBQVNZPHD-MRXNPFEDSA-N 1 1 298.430 3.028 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC23CC3)CC1 ZINC001052486945 801436078 /nfs/dbraw/zinc/43/60/78/801436078.db2.gz QTSUYXQEDKRQHL-HZPDHXFCSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC23CC3)CC1 ZINC001052486910 801437231 /nfs/dbraw/zinc/43/72/31/801437231.db2.gz QNONSCKNQMKPAF-HOTGVXAUSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC2(C)C)CC1 ZINC001052636089 801442958 /nfs/dbraw/zinc/44/29/58/801442958.db2.gz NNFIRVAHZYHBGX-UONOGXRCSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC2(C)C)CC1 ZINC001052637926 801443212 /nfs/dbraw/zinc/44/32/12/801443212.db2.gz QKCMLXQJQICSOD-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](CC[C@@H](C)F)CC2)C1 ZINC001052692396 801446324 /nfs/dbraw/zinc/44/63/24/801446324.db2.gz BGZUXBBFLDAYSE-HUUCEWRRSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2csc(C)c2)CC1 ZINC001052795229 801451524 /nfs/dbraw/zinc/45/15/24/801451524.db2.gz KFAONQFXJMPGOP-HNNXBMFYSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)/C(C)=C\C)C2)C1 ZINC001053020326 801464782 /nfs/dbraw/zinc/46/47/82/801464782.db2.gz UGTNNDZYONRFCQ-ANNBALGTSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(CC)CC)C2 ZINC001054088366 801473938 /nfs/dbraw/zinc/47/39/38/801473938.db2.gz UUFWKVYKMWJEGT-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)C(C)C)C2 ZINC001054206233 801479371 /nfs/dbraw/zinc/47/93/71/801479371.db2.gz BMPFDUORFQNNQC-SJLPKXTDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)s2)CC[C@@H]1C ZINC001071299019 801523579 /nfs/dbraw/zinc/52/35/79/801523579.db2.gz DTDQGVRVQSMEJA-JSGCOSHPSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2oc(C)cc2C)CC[C@@H]1C ZINC001071409524 801534533 /nfs/dbraw/zinc/53/45/33/801534533.db2.gz YJDAKOVMBXRNHK-DZGCQCFKSA-N 1 1 290.407 3.055 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)CC2CCC2)CC[C@@H]1C ZINC001071398417 801534924 /nfs/dbraw/zinc/53/49/24/801534924.db2.gz DOWXCPIUOGBCMF-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)C2CC(C)(C)C2)CC[C@@H]1C ZINC001071482168 801537915 /nfs/dbraw/zinc/53/79/15/801537915.db2.gz UXQIYVZPEPSZDP-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2coc(C)c2)CC[C@H]1C ZINC001071459173 801538901 /nfs/dbraw/zinc/53/89/01/801538901.db2.gz AWYZRGVBLXDTTL-CZUORRHYSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)c2ccoc2CC)CC[C@H]1C ZINC001071473239 801539387 /nfs/dbraw/zinc/53/93/87/801539387.db2.gz HZXWTRAZUCIUDI-ZIAGYGMSSA-N 1 1 290.407 3.001 20 30 CGEDMO C#Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CCCC)C2)cc1 ZINC001071731657 801548094 /nfs/dbraw/zinc/54/80/94/801548094.db2.gz IAVUDGLEQGGTCK-QAPCUYQASA-N 1 1 298.430 3.051 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC(C)C)C2)CC1 ZINC001071795210 801551856 /nfs/dbraw/zinc/55/18/56/801551856.db2.gz JAZCKXYHUQKJNP-WBVHZDCISA-N 1 1 292.467 3.358 20 30 CGEDMO C#CC[N@H+]1C[C@H](NC(=O)c2ccc(C(C)C)cc2)CC[C@H]1C ZINC001072011991 801559188 /nfs/dbraw/zinc/55/91/88/801559188.db2.gz HDNAHERPKRCGSF-CRAIPNDOSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2ccc(F)s2)CC[C@@H]1C ZINC001072112624 801565832 /nfs/dbraw/zinc/56/58/32/801565832.db2.gz CVDWDLQKCCYGEI-NWDGAFQWSA-N 1 1 296.411 3.046 20 30 CGEDMO C=CCC[N@H+]1CCC2(CN(C(=O)CC3CCCCC3)C2)C1 ZINC001072440199 801570440 /nfs/dbraw/zinc/57/04/40/801570440.db2.gz YSNRPJSOYWIREE-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CC)CC2)CC1 ZINC001075443147 801601187 /nfs/dbraw/zinc/60/11/87/801601187.db2.gz IKPCMRDIWBJLEW-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001079751423 801647169 /nfs/dbraw/zinc/64/71/69/801647169.db2.gz VBSRTNREWVHCGB-BRWVUGGUSA-N 1 1 290.451 3.136 20 30 CGEDMO C=Cc1ccc(C(=O)N[C@@H]2C[N@H+](CCC(=C)C)C[C@H]2C)cc1 ZINC001080490423 801655524 /nfs/dbraw/zinc/65/55/24/801655524.db2.gz SNVHQESSALUIBD-CRAIPNDOSA-N 1 1 298.430 3.346 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(C3CC3)c2)C1 ZINC001081014128 801658119 /nfs/dbraw/zinc/65/81/19/801658119.db2.gz VJBNEAYALWRTJV-RDTXWAMCSA-N 1 1 298.430 3.190 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3c(C)cccc3C)[C@@H]2C1 ZINC001084679717 801670778 /nfs/dbraw/zinc/67/07/78/801670778.db2.gz GKCGFGODBXOZOI-IAGOWNOFSA-N 1 1 298.430 3.026 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)C(C)(C)C)C[C@@H]21 ZINC001084971799 801674791 /nfs/dbraw/zinc/67/47/91/801674791.db2.gz CALHXQXMRKVRGE-OAGGEKHMSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(C)c1 ZINC001085466127 801688913 /nfs/dbraw/zinc/68/89/13/801688913.db2.gz PBGWBFYEUKHZFC-KRWDZBQOSA-N 1 1 286.419 3.108 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C)s1 ZINC001085460814 801689705 /nfs/dbraw/zinc/68/97/05/801689705.db2.gz QHDMSLVEKDKCDO-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CCCCCC1 ZINC001085509514 801691693 /nfs/dbraw/zinc/69/16/93/801691693.db2.gz ZKCAYUFDLAXXQO-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CC(C(C)(C)C)C1 ZINC001085996531 801718299 /nfs/dbraw/zinc/71/82/99/801718299.db2.gz QHNNHSCUIGODQS-UYSNPLJNSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccoc2Cl)[C@H]1CC ZINC001087554453 801758182 /nfs/dbraw/zinc/75/81/82/801758182.db2.gz HQAJNIHNFSWWAE-QWHCGFSZSA-N 1 1 296.798 3.092 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(C)CC=CC2)[C@H]1CC ZINC001087712771 801763700 /nfs/dbraw/zinc/76/37/00/801763700.db2.gz ADSATCLCISFGNH-UONOGXRCSA-N 1 1 296.842 3.064 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(C)CC=CC2)[C@H]1CC ZINC001087712771 801763710 /nfs/dbraw/zinc/76/37/10/801763710.db2.gz ADSATCLCISFGNH-UONOGXRCSA-N 1 1 296.842 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cc(C)c(C)s2)[C@H]1CC ZINC001087821781 801767499 /nfs/dbraw/zinc/76/74/99/801767499.db2.gz CPJXHAPDJASILN-UONOGXRCSA-N 1 1 292.448 3.134 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)[C@H]1CC ZINC001087803578 801767517 /nfs/dbraw/zinc/76/75/17/801767517.db2.gz DLEASVUDDAKYHS-LUKYLMHMSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cscc2C)[C@H]1C ZINC001088514048 801798470 /nfs/dbraw/zinc/79/84/70/801798470.db2.gz WEYPWIPEMLRQKJ-HIFRSBDPSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccoc2Cl)[C@H]1C ZINC001088543247 801802611 /nfs/dbraw/zinc/80/26/11/801802611.db2.gz SESRUAIDMUUSFL-YPMHNXCESA-N 1 1 296.798 3.092 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc3occc3c2)[C@H]1C ZINC001088584244 801802629 /nfs/dbraw/zinc/80/26/29/801802629.db2.gz KBVULVNINVRWGU-CJNGLKHVSA-N 1 1 298.386 3.202 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC=CCC2)[C@H]1C ZINC001088797858 801806884 /nfs/dbraw/zinc/80/68/84/801806884.db2.gz PUMLODHWBRYTGA-IKGGRYGDSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)c2cccs2)[C@H]1C ZINC001088852185 801810628 /nfs/dbraw/zinc/81/06/28/801810628.db2.gz IQCKZVLNDHJTTQ-MCIONIFRSA-N 1 1 292.448 3.007 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)c(C)s2)[C@H]1C ZINC001089025784 801817805 /nfs/dbraw/zinc/81/78/05/801817805.db2.gz ZCQVILMGVZKDHU-OCCSQVGLSA-N 1 1 292.448 3.134 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CC2CCC2)CC(C)(C)C1 ZINC001089352342 801836396 /nfs/dbraw/zinc/83/63/96/801836396.db2.gz RIDUVSSHAFKNHG-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C(C)=C2CCC2)CC(C)(C)C1 ZINC001089385221 801838182 /nfs/dbraw/zinc/83/81/82/801838182.db2.gz ZGKLSEZAOGLGAW-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[N@H+](CC)CC(C)(C)C2)CC1 ZINC001089484475 801842421 /nfs/dbraw/zinc/84/24/21/801842421.db2.gz XMMQGLGRIIWDCJ-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccco1 ZINC001089596133 801844779 /nfs/dbraw/zinc/84/47/79/801844779.db2.gz UXTBQBMMWPDSMW-AWEZNQCLSA-N 1 1 290.407 3.076 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1C[C@H]2C[N@@H+](CC(C)C)C[C@@]2(C)C1 ZINC001091981392 801859285 /nfs/dbraw/zinc/85/92/85/801859285.db2.gz NIQBRJSRDGVNBC-NJAFHUGGSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCC(=C)CC1)C2 ZINC001095969474 801888444 /nfs/dbraw/zinc/88/84/44/801888444.db2.gz VYIMWXRKZWKDGR-IKGGRYGDSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C3CC3)cc1)C2 ZINC001096588779 801890995 /nfs/dbraw/zinc/89/09/95/801890995.db2.gz MWSKAIBGTULPGN-SQNIBIBYSA-N 1 1 296.414 3.085 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)=C1CCCC1)C2 ZINC001096940025 801897168 /nfs/dbraw/zinc/89/71/68/801897168.db2.gz OHFLZBCTSNKYSR-ZACQAIPSSA-N 1 1 288.435 3.175 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CCC)C2 ZINC001097498751 801900282 /nfs/dbraw/zinc/90/02/82/801900282.db2.gz LSJHWBGTVYXLHK-NXHRZFHOSA-N 1 1 298.430 3.160 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC(C)(C)C1)C2 ZINC001097807598 801906005 /nfs/dbraw/zinc/90/60/05/801906005.db2.gz XAPUVBXTGAFFRJ-JJXSEGSLSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)c1ccccc1)C2 ZINC001098246622 801907958 /nfs/dbraw/zinc/90/79/58/801907958.db2.gz LKFNRIQKYVLJCD-DDBAPUKQSA-N 1 1 298.430 3.088 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1C[C@@H](F)CC ZINC001098966355 801922811 /nfs/dbraw/zinc/92/28/11/801922811.db2.gz LGVJSIDKMIVTKE-LSDHHAIUSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)C ZINC001098917395 801923031 /nfs/dbraw/zinc/92/30/31/801923031.db2.gz YRKRVINSGSYPPN-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@]1(C)C=CCC1 ZINC001099164670 801930921 /nfs/dbraw/zinc/93/09/21/801930921.db2.gz FWUBFNPBQRBTDU-MAUKXSAKSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCCF ZINC001099204224 801933933 /nfs/dbraw/zinc/93/39/33/801933933.db2.gz XMPKROPKSSDTAA-OAHLLOKOSA-N 1 1 298.446 3.309 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC ZINC001099251191 801934114 /nfs/dbraw/zinc/93/41/14/801934114.db2.gz HJTJTTPGLJOVQT-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCF ZINC001099194208 801934235 /nfs/dbraw/zinc/93/42/35/801934235.db2.gz LXJXAJIKOFDQQV-LSDHHAIUSA-N 1 1 298.446 3.165 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCF ZINC001099194208 801934239 /nfs/dbraw/zinc/93/42/39/801934239.db2.gz LXJXAJIKOFDQQV-LSDHHAIUSA-N 1 1 298.446 3.165 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC ZINC001099193593 801934331 /nfs/dbraw/zinc/93/43/31/801934331.db2.gz FZVSDOYOXUMNOW-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)C1CC1 ZINC001099194725 801935000 /nfs/dbraw/zinc/93/50/00/801935000.db2.gz RMIIRJNIZOIXSR-HNNXBMFYSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)CC(C)C ZINC001099286372 801936478 /nfs/dbraw/zinc/93/64/78/801936478.db2.gz VPFHUNSABUEHMQ-JKSUJKDBSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C)CCCC)C[C@]2(C)C1 ZINC001101221622 801975624 /nfs/dbraw/zinc/97/56/24/801975624.db2.gz YGBYKLAMYCEXIT-JZXOWHBKSA-N 1 1 292.467 3.169 20 30 CGEDMO CCCCCCC[N@@H+]1C[C@@H](CNC(=O)CC2CC2)[C@H](C)C1 ZINC001101674719 801985935 /nfs/dbraw/zinc/98/59/35/801985935.db2.gz YGPJJODMHXHCSG-NVXWUHKLSA-N 1 1 294.483 3.441 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](CNC(=O)/C=C/C(C)(C)C)[C@H](C)C1 ZINC001101824951 801991973 /nfs/dbraw/zinc/99/19/73/801991973.db2.gz JJLYVGVBGAQYTL-JDFMTEHDSA-N 1 1 292.467 3.239 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1C ZINC001101805028 801992651 /nfs/dbraw/zinc/99/26/51/801992651.db2.gz DCLGOOYESAWIRG-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)C=C(CC)CC)[C@H](C)C1 ZINC001101873651 801993921 /nfs/dbraw/zinc/99/39/21/801993921.db2.gz SPXDBVJFPDAYML-NVXWUHKLSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)C[C@H](C)CC)[C@H](C)C1 ZINC001101918637 801996164 /nfs/dbraw/zinc/99/61/64/801996164.db2.gz XUKTXCVNQLDGAC-BZUAXINKSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](C)CC)C[C@H]1C ZINC001102003679 801997350 /nfs/dbraw/zinc/99/73/50/801997350.db2.gz KEAJZAGPTYWDLM-ARFHVFGLSA-N 1 1 294.483 3.319 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](CNC(=O)C(C)(C)C(=C)C)[C@H](C)C1 ZINC001102219841 802000529 /nfs/dbraw/zinc/00/05/29/802000529.db2.gz YYNAHLQWAJBHPC-HZPDHXFCSA-N 1 1 292.467 3.239 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](CNC(=O)CCCCCC)[C@H](C)C1 ZINC001102545073 802012848 /nfs/dbraw/zinc/01/28/48/802012848.db2.gz RDLBUOOKOKOHMR-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)F)C1 ZINC001102635255 802014633 /nfs/dbraw/zinc/01/46/33/802014633.db2.gz ZBLRVHBAJCKUNU-RBSFLKMASA-N 1 1 298.446 3.163 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CCCC2)C1 ZINC001102633088 802015189 /nfs/dbraw/zinc/01/51/89/802015189.db2.gz AZQPGQIZLLNCIV-NVXWUHKLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)C2CC2)C1 ZINC001102828067 802022418 /nfs/dbraw/zinc/02/24/18/802022418.db2.gz CEGKYTWJCTXREJ-BFYDXBDKSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC2CC2)C1 ZINC001102801489 802022612 /nfs/dbraw/zinc/02/26/12/802022612.db2.gz PVBWJZNTCLQBEW-NVXWUHKLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CCC(=O)NCC[C@@H]1C[N@@H+](C[C@H](C)CC)C[C@H]1C ZINC001103040181 802027509 /nfs/dbraw/zinc/02/75/09/802027509.db2.gz JMYGIXKDFXIAFX-BRWVUGGUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC(CC)CC)C1 ZINC001103579329 802037126 /nfs/dbraw/zinc/03/71/26/802037126.db2.gz ZPHIEOIHYVUYQX-GDBMZVCRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@]2(CNC(=O)C=C(C)C)CCC[C@@H]12 ZINC001107274199 802084341 /nfs/dbraw/zinc/08/43/41/802084341.db2.gz TZRLDGUUIOOZKN-SJLPKXTDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC[C@@H](C)F)CC2 ZINC001107326599 802085618 /nfs/dbraw/zinc/08/56/18/802085618.db2.gz BPHDXRLNUBSHHB-BFYDXBDKSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C)c1)C2 ZINC001108883954 802103094 /nfs/dbraw/zinc/10/30/94/802103094.db2.gz FNGKDVAMMVVWAG-SQNIBIBYSA-N 1 1 298.430 3.296 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(C)(C)C)C2 ZINC001108936456 802103515 /nfs/dbraw/zinc/10/35/15/802103515.db2.gz IJBXYTLIOSQVAT-FZKCQIBNSA-N 1 1 292.467 3.499 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C/Cl ZINC001109678850 802122037 /nfs/dbraw/zinc/12/20/37/802122037.db2.gz JWNKAOKJVSQGND-KWUYTKGISA-N 1 1 296.842 3.063 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C/C=C/Cl ZINC001109678850 802122042 /nfs/dbraw/zinc/12/20/42/802122042.db2.gz JWNKAOKJVSQGND-KWUYTKGISA-N 1 1 296.842 3.063 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](C)CC ZINC001109767970 802125228 /nfs/dbraw/zinc/12/52/28/802125228.db2.gz SVKORKFHTZJZJP-FZKCQIBNSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)CC(C)(C)C)C2 ZINC001109754700 802125447 /nfs/dbraw/zinc/12/54/47/802125447.db2.gz NDBLULWURLJARV-WCVJEAGWSA-N 1 1 292.467 3.356 20 30 CGEDMO C#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCCCCCC)C2 ZINC001110023167 802130256 /nfs/dbraw/zinc/13/02/56/802130256.db2.gz LYQUZMPYTIXEEO-IKGGRYGDSA-N 1 1 290.451 3.092 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(C)(C)C)C2 ZINC001110291442 802136032 /nfs/dbraw/zinc/13/60/32/802136032.db2.gz CBXFDIQEPMRARG-KFWWJZLASA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC1CCC1 ZINC001110379058 802137362 /nfs/dbraw/zinc/13/73/62/802137362.db2.gz TZVBJRILQZQDHF-ZACQAIPSSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)CCC)C2 ZINC001110374832 802138972 /nfs/dbraw/zinc/13/89/72/802138972.db2.gz OHDSHLYKYCJWML-JJXSEGSLSA-N 1 1 278.440 3.110 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCC ZINC001110610373 802147213 /nfs/dbraw/zinc/14/72/13/802147213.db2.gz AOFRRBMOFQODTA-OAGGEKHMSA-N 1 1 278.440 3.254 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(CCC)CCC1)C2 ZINC001110926322 802150397 /nfs/dbraw/zinc/15/03/97/802150397.db2.gz ASOUCWFMGQUBJH-OAGGEKHMSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)CCC=C ZINC001110964635 802152985 /nfs/dbraw/zinc/15/29/85/802152985.db2.gz UFUAFESTDAUHPO-VQHPVUNQSA-N 1 1 290.451 3.419 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC)C1 ZINC001111568177 802162519 /nfs/dbraw/zinc/16/25/19/802162519.db2.gz OWXLGZNBBBAGCM-ZOBUZTSGSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCC1CC1)C2 ZINC001111764859 802169075 /nfs/dbraw/zinc/16/90/75/802169075.db2.gz GMXKSBCQPVZYHW-WMZOPIPTSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(C)C)C2 ZINC001111848875 802170978 /nfs/dbraw/zinc/17/09/78/802170978.db2.gz WFZSJTLSZSHDAG-RYRKJORJSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[NH+]1CCN(c2cc(Cl)nc3ccsc32)CC1 ZINC001165031691 806966831 /nfs/dbraw/zinc/96/68/31/806966831.db2.gz QOONNIXLPNOKHE-UHFFFAOYSA-N 1 1 293.823 3.258 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)C[C@@H](CC)CCCC)CC1 ZINC001113120683 802202344 /nfs/dbraw/zinc/20/23/44/802202344.db2.gz IVZVMAYBROOTSO-INIZCTEOSA-N 1 1 280.456 3.313 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)[C@H](C)CCC(C)(C)C)CC1 ZINC001113540387 802228379 /nfs/dbraw/zinc/22/83/79/802228379.db2.gz QDSJWTAZEYDSID-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(C)(C)CC ZINC001114333211 802242026 /nfs/dbraw/zinc/24/20/26/802242026.db2.gz ABJITFLAUXHKFX-AIANPOQGSA-N 1 1 292.467 3.214 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C)CCC1 ZINC001114683276 802242304 /nfs/dbraw/zinc/24/23/04/802242304.db2.gz MEESADIKUZHCHK-ZSHCYNCHSA-N 1 1 292.467 3.193 20 30 CGEDMO C=C(C)CN(CC)c1ccc(C[N@@H+](C)C2CC2)cn1 ZINC001165141517 806972527 /nfs/dbraw/zinc/97/25/27/806972527.db2.gz LCMACEYBNHXLQM-UHFFFAOYSA-N 1 1 259.397 3.078 20 30 CGEDMO N#CCC[N@@H+](Cc1ccccc1N1CCCC1)CC1CC1 ZINC001116444104 802351164 /nfs/dbraw/zinc/35/11/64/802351164.db2.gz QPOADQWGOPQMBX-UHFFFAOYSA-N 1 1 283.419 3.412 20 30 CGEDMO N#CCC[N@H+](Cc1ccccc1N1CCCC1)CC1CC1 ZINC001116444104 802351172 /nfs/dbraw/zinc/35/11/72/802351172.db2.gz QPOADQWGOPQMBX-UHFFFAOYSA-N 1 1 283.419 3.412 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001116556975 802377214 /nfs/dbraw/zinc/37/72/14/802377214.db2.gz VXLGOPFUCACXSA-ZDUSSCGKSA-N 1 1 296.754 3.025 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001116556975 802377218 /nfs/dbraw/zinc/37/72/18/802377218.db2.gz VXLGOPFUCACXSA-ZDUSSCGKSA-N 1 1 296.754 3.025 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC001116555678 802377588 /nfs/dbraw/zinc/37/75/88/802377588.db2.gz TXRNDQVUGZWPKU-CWDCEQMOSA-N 1 1 261.340 3.116 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+]([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001116556639 802378210 /nfs/dbraw/zinc/37/82/10/802378210.db2.gz RGYDMLOBLIMTNS-WCQYABFASA-N 1 1 267.319 3.303 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNc1cccc(C)n1 ZINC001116673402 802393676 /nfs/dbraw/zinc/39/36/76/802393676.db2.gz GNOFZEWJYKFIBJ-OAHLLOKOSA-N 1 1 259.397 3.233 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNc1cccc(C)n1 ZINC001116673399 802394139 /nfs/dbraw/zinc/39/41/39/802394139.db2.gz GNOFZEWJYKFIBJ-HNNXBMFYSA-N 1 1 259.397 3.233 20 30 CGEDMO CC(C)COCC[C@H](C)[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001172474152 808339658 /nfs/dbraw/zinc/33/96/58/808339658.db2.gz OVZLSFSECBSTRN-HNNXBMFYSA-N 1 1 286.419 3.368 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001172502234 808357314 /nfs/dbraw/zinc/35/73/14/808357314.db2.gz TZEUUFCNOXGPPZ-UONOGXRCSA-N 1 1 295.427 3.010 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)C(CC)CC)C1 ZINC001270940460 808754955 /nfs/dbraw/zinc/75/49/55/808754955.db2.gz JEQLIWQTHYXYLX-QGZVFWFLSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cc(C)ccc2OC(F)F)C1 ZINC001117720456 802481047 /nfs/dbraw/zinc/48/10/47/802481047.db2.gz QKMLBLJMZAQJLL-AWEZNQCLSA-N 1 1 297.345 3.373 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC001119729754 802695364 /nfs/dbraw/zinc/69/53/64/802695364.db2.gz WFPHEKIWDCQXTB-KRWDZBQOSA-N 1 1 267.376 3.301 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC001119729754 802695367 /nfs/dbraw/zinc/69/53/67/802695367.db2.gz WFPHEKIWDCQXTB-KRWDZBQOSA-N 1 1 267.376 3.301 20 30 CGEDMO C[C@@H]1C[C@H](C[N@@H+]2CCCC(C)(C)[C@@H]2C#N)C[C@H](C)O1 ZINC001119770520 802698642 /nfs/dbraw/zinc/69/86/42/802698642.db2.gz BCVYQBONJMMFJH-YJNKXOJESA-N 1 1 264.413 3.204 20 30 CGEDMO C[C@@H]1C[C@H](C[N@H+]2CCCC(C)(C)[C@@H]2C#N)C[C@H](C)O1 ZINC001119770520 802698646 /nfs/dbraw/zinc/69/86/46/802698646.db2.gz BCVYQBONJMMFJH-YJNKXOJESA-N 1 1 264.413 3.204 20 30 CGEDMO CC[N@@H+](Cc1cncc(C#N)c1)[C@@H](C)Cc1ccsc1 ZINC001119827820 802701796 /nfs/dbraw/zinc/70/17/96/802701796.db2.gz GIMACALMGIWXIF-ZDUSSCGKSA-N 1 1 285.416 3.468 20 30 CGEDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2ccc(C#N)cc2Cl)C1 ZINC001119947000 802712563 /nfs/dbraw/zinc/71/25/63/802712563.db2.gz JYQHXIRSISYWBJ-DZGCQCFKSA-N 1 1 289.810 3.132 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CCCF)C1 ZINC001120347251 802740391 /nfs/dbraw/zinc/74/03/91/802740391.db2.gz FQGSCGBKHRJNCO-HZPDHXFCSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CCCC)C1 ZINC001120348354 802740981 /nfs/dbraw/zinc/74/09/81/802740981.db2.gz ULFOJAGEJVCCOE-IAGOWNOFSA-N 1 1 292.467 3.456 20 30 CGEDMO CCC(C#N)(CC)N[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256907532 807006980 /nfs/dbraw/zinc/00/69/80/807006980.db2.gz CVOXUBWCSVMLMS-CQSZACIVSA-N 1 1 263.429 3.065 20 30 CGEDMO C[N@H+]1CCCC[C@@H]1c1ccc(-c2ccc(C#N)cc2N)nc1 ZINC001244085578 803178124 /nfs/dbraw/zinc/17/81/24/803178124.db2.gz TYALORBAKJEYQX-GOSISDBHSA-N 1 1 292.386 3.359 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)C(CC)CC)CC[C@@H]1C ZINC001131839815 803350261 /nfs/dbraw/zinc/35/02/61/803350261.db2.gz VNBDEKVWHLXXCS-HOCLYGCPSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)/C=C(\C)C2CC2)CC[C@H]1C ZINC001131903666 803355955 /nfs/dbraw/zinc/35/59/55/803355955.db2.gz JDNBVDJBTAPLFJ-UCGSKFKCSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCCCCF)C1 ZINC001131895654 803356009 /nfs/dbraw/zinc/35/60/09/803356009.db2.gz LBNKWRJHOPGAIV-LSDHHAIUSA-N 1 1 284.419 3.062 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H](NC(=O)C=C(CC)CC)CC[C@@H]1C ZINC001131950773 803361416 /nfs/dbraw/zinc/36/14/16/803361416.db2.gz OBYCNISIIZYYJB-ZFWWWQNUSA-N 1 1 298.858 3.454 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H](NC(=O)C=C(CC)CC)CC[C@@H]1C ZINC001131950773 803361421 /nfs/dbraw/zinc/36/14/21/803361421.db2.gz OBYCNISIIZYYJB-ZFWWWQNUSA-N 1 1 298.858 3.454 20 30 CGEDMO CC(C)C#CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCCC(C)C)C1 ZINC001132021877 803367726 /nfs/dbraw/zinc/36/77/26/803367726.db2.gz QZJMFSZIPWFBCN-DLBZAZTESA-N 1 1 292.467 3.051 20 30 CGEDMO CCCCC[N@H+]1C[C@H](NC(=O)C#CC(C)(C)C)CC[C@@H]1C ZINC001132039536 803368189 /nfs/dbraw/zinc/36/81/89/803368189.db2.gz ZFTYUTCRLMASGC-JKSUJKDBSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](CC(=C)C)C1 ZINC001132060123 803371985 /nfs/dbraw/zinc/37/19/85/803371985.db2.gz ACNVGKVUTHIBEE-GJZGRUSLSA-N 1 1 278.440 3.134 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](CC2CC2)C1 ZINC001132079270 803372517 /nfs/dbraw/zinc/37/25/17/803372517.db2.gz WFNDHDANMZUNCB-FZMZJTMJSA-N 1 1 298.858 3.144 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](CCCCCF)C1 ZINC001132073985 803373084 /nfs/dbraw/zinc/37/30/84/803373084.db2.gz ZBMUYJLWMOUIBV-HOTGVXAUSA-N 1 1 298.446 3.452 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)C2(C)CCC2)CC[C@@H]1C ZINC001132225587 803381686 /nfs/dbraw/zinc/38/16/86/803381686.db2.gz YXDKNNVBJYAGCY-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)C2(C)CCC2)CC[C@H]1C ZINC001132225585 803381985 /nfs/dbraw/zinc/38/19/85/803381985.db2.gz YXDKNNVBJYAGCY-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)C2(C)CCC2)CC[C@H]1C ZINC001132225588 803382245 /nfs/dbraw/zinc/38/22/45/803382245.db2.gz YXDKNNVBJYAGCY-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO CC#CC[N@H+]1C[C@H](NC(=O)C(CCC)CCC)CC[C@@H]1C ZINC001132255772 803388129 /nfs/dbraw/zinc/38/81/29/803388129.db2.gz FKHYLFQLXIMBCH-DOTOQJQBSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCC[N@H+]1C[C@H](NC(=O)C2(CCC)CC2)CC[C@H]1C ZINC001132274064 803390256 /nfs/dbraw/zinc/39/02/56/803390256.db2.gz NZFKJFWLZPVJIP-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)C2(CF)CCC2)CC[C@@H]1C ZINC001132313674 803394840 /nfs/dbraw/zinc/39/48/40/803394840.db2.gz CBJFHQRGAJBYEQ-LSDHHAIUSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)C(C)(CC)CC)CC[C@H]1C ZINC001132494582 803409183 /nfs/dbraw/zinc/40/91/83/803409183.db2.gz UPGKDICTGOFPAC-HUUCEWRRSA-N 1 1 280.456 3.358 20 30 CGEDMO CCc1cc(-c2c[nH+]c(C)cc2OC)ccc1C#N ZINC001244951554 803589261 /nfs/dbraw/zinc/58/92/61/803589261.db2.gz BNIYIHHQVCKEGF-UHFFFAOYSA-N 1 1 252.317 3.500 20 30 CGEDMO C=C(C)CCC(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC001136609075 803648047 /nfs/dbraw/zinc/64/80/47/803648047.db2.gz WSABNHACRVKVTD-UHFFFAOYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CC[N@H+](Cc1cnc2c(C)cccn12)C(C)(C)C ZINC001136966058 803663545 /nfs/dbraw/zinc/66/35/45/803663545.db2.gz LQBZAZXQWMAVQM-UHFFFAOYSA-N 1 1 257.381 3.429 20 30 CGEDMO N#CCOc1ccc(C[N@@H+]2CC[C@H](F)C(F)(F)CC2)cc1 ZINC001137114769 803684852 /nfs/dbraw/zinc/68/48/52/803684852.db2.gz ZGGIVGJQMNYLBS-AWEZNQCLSA-N 1 1 298.308 3.158 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)cc1 ZINC001137115399 803685141 /nfs/dbraw/zinc/68/51/41/803685141.db2.gz LWIBIWNHBNMNIK-JKSUJKDBSA-N 1 1 270.376 3.211 20 30 CGEDMO COc1ccc(Cl)c(C[N@@H+]2CCC[C@@H](C#N)CC2)c1 ZINC001137265065 803704612 /nfs/dbraw/zinc/70/46/12/803704612.db2.gz KZZFBWAYLFIBJA-GFCCVEGCSA-N 1 1 278.783 3.474 20 30 CGEDMO COc1ccc(Cl)c(C[N@H+]2CCC[C@@H](C#N)CC2)c1 ZINC001137265065 803704615 /nfs/dbraw/zinc/70/46/15/803704615.db2.gz KZZFBWAYLFIBJA-GFCCVEGCSA-N 1 1 278.783 3.474 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2c[nH]c3ccc(F)cc23)CC1 ZINC001137341182 803719033 /nfs/dbraw/zinc/71/90/33/803719033.db2.gz BIJNMIRSQAKGGI-GFCCVEGCSA-N 1 1 271.339 3.433 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC001137395085 803729177 /nfs/dbraw/zinc/72/91/77/803729177.db2.gz MVVBGOFEWUAUEX-GOSISDBHSA-N 1 1 277.371 3.484 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC001137395085 803729178 /nfs/dbraw/zinc/72/91/78/803729178.db2.gz MVVBGOFEWUAUEX-GOSISDBHSA-N 1 1 277.371 3.484 20 30 CGEDMO COc1ccc(C[N@@H+]2CCCC(F)(F)CC2)c(C#N)c1 ZINC001137698010 803759748 /nfs/dbraw/zinc/75/97/48/803759748.db2.gz GAMIWFRKBNPQIF-UHFFFAOYSA-N 1 1 280.318 3.188 20 30 CGEDMO COc1ccc(C[N@H+]2CCCC(F)(F)CC2)c(C#N)c1 ZINC001137698010 803759754 /nfs/dbraw/zinc/75/97/54/803759754.db2.gz GAMIWFRKBNPQIF-UHFFFAOYSA-N 1 1 280.318 3.188 20 30 CGEDMO COc1ccc(C[NH+]2CCC(C(F)F)CC2)c(C#N)c1 ZINC001137704456 803761284 /nfs/dbraw/zinc/76/12/84/803761284.db2.gz GOURZWRXBFADHA-UHFFFAOYSA-N 1 1 280.318 3.044 20 30 CGEDMO COc1ccc(C[N@@H+](C)CC2CC(F)(F)C2)c(C#N)c1 ZINC001137704595 803761354 /nfs/dbraw/zinc/76/13/54/803761354.db2.gz MRCDHKNBCBTXMR-UHFFFAOYSA-N 1 1 280.318 3.044 20 30 CGEDMO COc1ccc(F)c(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1 ZINC001137996411 803817265 /nfs/dbraw/zinc/81/72/65/803817265.db2.gz OIHLEMONJAMBRA-DEZZGGKRSA-N 1 1 274.339 3.101 20 30 CGEDMO COc1ccc(F)c(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1 ZINC001137996411 803817273 /nfs/dbraw/zinc/81/72/73/803817273.db2.gz OIHLEMONJAMBRA-DEZZGGKRSA-N 1 1 274.339 3.101 20 30 CGEDMO COc1ccc2[nH]cc(C[N@H+]3CCC[C@H](CC#N)C3)c2c1 ZINC001138510465 803955253 /nfs/dbraw/zinc/95/52/53/803955253.db2.gz DULXIECUKBFXJT-CYBMUJFWSA-N 1 1 283.375 3.302 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@@H](C(F)F)C2)cc1 ZINC001138557265 803966770 /nfs/dbraw/zinc/96/67/70/803966770.db2.gz DPKVMQGLUPHXFU-CQSZACIVSA-N 1 1 279.330 3.176 20 30 CGEDMO C#CCOc1ccc(C[N@@H+](C)CC2CCCC2)cc1 ZINC001138557894 803968806 /nfs/dbraw/zinc/96/88/06/803968806.db2.gz VBEIMNQWMZRKJP-UHFFFAOYSA-N 1 1 257.377 3.321 20 30 CGEDMO Cc1cc(C[N@@H+]2CCC3SC(=O)C=C3C2)c(C)s1 ZINC001138570876 803970674 /nfs/dbraw/zinc/97/06/74/803970674.db2.gz ZPKHKVDRMHCROJ-CYBMUJFWSA-N 1 1 279.430 3.139 20 30 CGEDMO Cc1cc(C[N@H+]2CCC3SC(=O)C=C3C2)c(C)s1 ZINC001138570876 803970681 /nfs/dbraw/zinc/97/06/81/803970681.db2.gz ZPKHKVDRMHCROJ-CYBMUJFWSA-N 1 1 279.430 3.139 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2CCCC[C@@H]2COC)c1O ZINC001138625623 803982582 /nfs/dbraw/zinc/98/25/82/803982582.db2.gz QUSFNGNKRIORPV-MRXNPFEDSA-N 1 1 275.392 3.122 20 30 CGEDMO C=CCc1cccc(C[N@@H+](CC)CCN(CC)CC)c1O ZINC001138628798 803985779 /nfs/dbraw/zinc/98/57/79/803985779.db2.gz FWSPCIZHBOVNCU-UHFFFAOYSA-N 1 1 290.451 3.284 20 30 CGEDMO C=CCc1cccc(C[N@H+](CC)CCN(CC)CC)c1O ZINC001138628798 803985787 /nfs/dbraw/zinc/98/57/87/803985787.db2.gz FWSPCIZHBOVNCU-UHFFFAOYSA-N 1 1 290.451 3.284 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CCOC[C@@H]1CC ZINC001138665004 803996115 /nfs/dbraw/zinc/99/61/15/803996115.db2.gz DZEDHRBTLFEXFW-INIZCTEOSA-N 1 1 275.392 3.252 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1CCOC[C@@H]1CC ZINC001138665004 803996127 /nfs/dbraw/zinc/99/61/27/803996127.db2.gz DZEDHRBTLFEXFW-INIZCTEOSA-N 1 1 275.392 3.252 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC001138666063 804000109 /nfs/dbraw/zinc/00/01/09/804000109.db2.gz HGFGWKVDJOUYMS-GOSISDBHSA-N 1 1 289.419 3.498 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC001138666063 804000119 /nfs/dbraw/zinc/00/01/19/804000119.db2.gz HGFGWKVDJOUYMS-GOSISDBHSA-N 1 1 289.419 3.498 20 30 CGEDMO COc1cc(C)c(C[N@@H+]2CCC[C@H](C#N)C2)c(C)c1C ZINC001138725092 804023431 /nfs/dbraw/zinc/02/34/31/804023431.db2.gz PKQYWJVSDAWCAE-OAHLLOKOSA-N 1 1 272.392 3.356 20 30 CGEDMO COc1cc(C)c(C[N@H+]2CCC[C@H](C#N)C2)c(C)c1C ZINC001138725092 804023438 /nfs/dbraw/zinc/02/34/38/804023438.db2.gz PKQYWJVSDAWCAE-OAHLLOKOSA-N 1 1 272.392 3.356 20 30 CGEDMO CCCCCCCCCC[C@@H](O)CN1CCC2(C[NH2+]C2)C1 ZINC001246029843 804102546 /nfs/dbraw/zinc/10/25/46/804102546.db2.gz WMSVYLBLVSHCSM-QGZVFWFLSA-N 1 1 296.499 3.173 20 30 CGEDMO C#CC[N@@H+](C)Cc1cc(-c2ccccc2)ccc1OC ZINC001139070301 804123032 /nfs/dbraw/zinc/12/30/32/804123032.db2.gz JUVSXMZYWCWOSI-UHFFFAOYSA-N 1 1 265.356 3.427 20 30 CGEDMO C#CC[N@H+](C)Cc1cc(-c2ccccc2)ccc1OC ZINC001139070301 804123036 /nfs/dbraw/zinc/12/30/36/804123036.db2.gz JUVSXMZYWCWOSI-UHFFFAOYSA-N 1 1 265.356 3.427 20 30 CGEDMO C#CC[N@@H+](Cc1c(C)n[nH]c1C)[C@@H]1CCc2ccccc21 ZINC001139099381 804128403 /nfs/dbraw/zinc/12/84/03/804128403.db2.gz YLVNMOYGQFYPKR-GOSISDBHSA-N 1 1 279.387 3.149 20 30 CGEDMO C#CC[N@H+](Cc1c(C)n[nH]c1C)[C@@H]1CCc2ccccc21 ZINC001139099381 804128410 /nfs/dbraw/zinc/12/84/10/804128410.db2.gz YLVNMOYGQFYPKR-GOSISDBHSA-N 1 1 279.387 3.149 20 30 CGEDMO CC(=O)Nc1cc(Nc2ccc(C3(C#N)CC3)cc2)cc[nH+]1 ZINC001212249597 814997409 /nfs/dbraw/zinc/99/74/09/814997409.db2.gz CSFJYSLAUGTSAS-UHFFFAOYSA-N 1 1 292.342 3.339 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](Cc2ccc3cc(O)ccc3c2)C1 ZINC001139340982 804177682 /nfs/dbraw/zinc/17/76/82/804177682.db2.gz WRGHUFZXFVXILA-QGZVFWFLSA-N 1 1 266.344 3.281 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](Cc2ccc3cc(O)ccc3c2)C1 ZINC001139340982 804177687 /nfs/dbraw/zinc/17/76/87/804177687.db2.gz WRGHUFZXFVXILA-QGZVFWFLSA-N 1 1 266.344 3.281 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc(-c3cnccn3)cc2)C1 ZINC001139393054 804185260 /nfs/dbraw/zinc/18/52/60/804185260.db2.gz CKIBYNCEITXDLA-OAHLLOKOSA-N 1 1 292.386 3.269 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)cc1F ZINC001139527152 804201144 /nfs/dbraw/zinc/20/11/44/804201144.db2.gz YYWZKYGVNYPHEB-DZGCQCFKSA-N 1 1 258.340 3.319 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](F)CC2)cc1F ZINC001139525723 804201202 /nfs/dbraw/zinc/20/12/02/804201202.db2.gz JBFHSNBLMMKYIJ-ZDUSSCGKSA-N 1 1 250.292 3.021 20 30 CGEDMO N#C[C@@H]1CC[N@H+](Cc2ccc(-c3cccnc3)cc2)C1 ZINC001139645077 804241608 /nfs/dbraw/zinc/24/16/08/804241608.db2.gz DUUZRWODSFZFNH-HNNXBMFYSA-N 1 1 263.344 3.094 20 30 CGEDMO N#C[C@@H]1CC[N@@H+](Cc2ccc(-c3cccnc3)cc2)C1 ZINC001139645077 804241611 /nfs/dbraw/zinc/24/16/11/804241611.db2.gz DUUZRWODSFZFNH-HNNXBMFYSA-N 1 1 263.344 3.094 20 30 CGEDMO N#Cc1c(Cl)cccc1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001139690155 804254427 /nfs/dbraw/zinc/25/44/27/804254427.db2.gz RGCFXDWCFPCADX-CZUORRHYSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1c(Cl)cccc1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001139690155 804254432 /nfs/dbraw/zinc/25/44/32/804254432.db2.gz RGCFXDWCFPCADX-CZUORRHYSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1cccc2c(C[N@H+]3CC[C@@H]4CCCO[C@H]4C3)c[nH]c21 ZINC001139704473 804260613 /nfs/dbraw/zinc/26/06/13/804260613.db2.gz VVIYQKDFEMOOMF-GUYCJALGSA-N 1 1 295.386 3.040 20 30 CGEDMO CCCCCCC[C@H](CC(C)C)N[C@@]1(CCO)CC[NH2+]C1 ZINC001246294034 804263153 /nfs/dbraw/zinc/26/31/53/804263153.db2.gz LRWIPVAFDGKIEN-QZTJIDSGSA-N 1 1 298.515 3.466 20 30 CGEDMO COCC[C@@H]1CCCC[N@H+]1Cc1ccc(C)c(C#N)c1 ZINC001139724033 804267358 /nfs/dbraw/zinc/26/73/58/804267358.db2.gz JOWBXFQLZOONAH-KRWDZBQOSA-N 1 1 272.392 3.258 20 30 CGEDMO CCCCCCCCCC[C@H](C)[NH2+][C@@H]1CNC[C@@H]1CO ZINC001246302026 804268762 /nfs/dbraw/zinc/26/87/62/804268762.db2.gz ZVECQYXXCOELFC-GVDBMIGSSA-N 1 1 284.488 3.076 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(OCCC)cc2)no1 ZINC001212325079 815005154 /nfs/dbraw/zinc/00/51/54/815005154.db2.gz GDJXBLDXRRWBFM-HNNXBMFYSA-N 1 1 299.374 3.329 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc3occc3c2)no1 ZINC001212325029 815005274 /nfs/dbraw/zinc/00/52/74/815005274.db2.gz FQHFBKFBLIRZRI-ZDUSSCGKSA-N 1 1 281.315 3.286 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(C)c(C)c2)no1 ZINC001212325284 815005427 /nfs/dbraw/zinc/00/54/27/815005427.db2.gz MFOGSEBXLBBINE-AWEZNQCLSA-N 1 1 269.348 3.157 20 30 CGEDMO Cc1ccc(C[NH+]2CCC(C#N)(c3ccccc3)CC2)nc1 ZINC001139837835 804295592 /nfs/dbraw/zinc/29/55/92/804295592.db2.gz ZURIRWLRPGNYGE-UHFFFAOYSA-N 1 1 291.398 3.447 20 30 CGEDMO C[C@@]1(F)CCCC[N@H+](Cc2cc(F)cc(C#N)c2)C1 ZINC001139873248 804305705 /nfs/dbraw/zinc/30/57/05/804305705.db2.gz GTZKMRCKJSGQPJ-OAHLLOKOSA-N 1 1 264.319 3.411 20 30 CGEDMO C[C@@]1(F)CCCC[N@@H+](Cc2cc(F)cc(C#N)c2)C1 ZINC001139873248 804305715 /nfs/dbraw/zinc/30/57/15/804305715.db2.gz GTZKMRCKJSGQPJ-OAHLLOKOSA-N 1 1 264.319 3.411 20 30 CGEDMO C[C@]1(F)CCC[N@@H+](Cc2cc(F)cc(C#N)c2)CC1 ZINC001139873171 804306127 /nfs/dbraw/zinc/30/61/27/804306127.db2.gz DAJZDKOFYZQQRT-HNNXBMFYSA-N 1 1 264.319 3.411 20 30 CGEDMO N#Cc1cc(F)cc(C[N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)c1 ZINC001139873591 804306978 /nfs/dbraw/zinc/30/69/78/804306978.db2.gz XKUJTCSJZBRTIT-BETUJISGSA-N 1 1 280.293 3.174 20 30 CGEDMO N#Cc1cc(F)cc(C[N@@H+](C2CCC2)C2CCOCC2)c1 ZINC001139880094 804307579 /nfs/dbraw/zinc/30/75/79/804307579.db2.gz YUYQELOOXXKFRV-UHFFFAOYSA-N 1 1 288.366 3.231 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1cccnn1 ZINC001139972004 804338824 /nfs/dbraw/zinc/33/88/24/804338824.db2.gz XMKQTVMWUULRLT-UHFFFAOYSA-N 1 1 253.349 3.055 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cc3ccccc3cn2)C1 ZINC001139998809 804347716 /nfs/dbraw/zinc/34/77/16/804347716.db2.gz GPAMSLUOOHXNSD-AWEZNQCLSA-N 1 1 265.360 3.360 20 30 CGEDMO C[N@@H+](Cc1c[nH]c2ccc(C#N)cc12)Cc1ccncc1 ZINC001140110454 804379037 /nfs/dbraw/zinc/37/90/37/804379037.db2.gz MBFIEPMPHXZNSO-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO N#C[C@@H]1CC[N@H+](Cc2ccc(-c3ccncc3)cc2)C1 ZINC001140171310 804393332 /nfs/dbraw/zinc/39/33/32/804393332.db2.gz LQROAGHWLFVJQR-HNNXBMFYSA-N 1 1 263.344 3.094 20 30 CGEDMO N#C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccncc3)cc2)C1 ZINC001140171310 804393340 /nfs/dbraw/zinc/39/33/40/804393340.db2.gz LQROAGHWLFVJQR-HNNXBMFYSA-N 1 1 263.344 3.094 20 30 CGEDMO C[C@@H]1[C@H](N)CC[N@@H+]1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246546935 804396991 /nfs/dbraw/zinc/39/69/91/804396991.db2.gz CBHHWYSYHIMMHH-HELAGCTPSA-N 1 1 283.419 3.006 20 30 CGEDMO C[C@@H]1[C@H](N)CC[N@H+]1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246546935 804396999 /nfs/dbraw/zinc/39/69/99/804396999.db2.gz CBHHWYSYHIMMHH-HELAGCTPSA-N 1 1 283.419 3.006 20 30 CGEDMO CCCCCCC[C@H](CC)[N@@H+]1CCCC[C@](O)(CN)C1 ZINC001246564947 804413039 /nfs/dbraw/zinc/41/30/39/804413039.db2.gz XUMOTVUFWGGFBU-IRXDYDNUSA-N 1 1 284.488 3.301 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CCCC[C@](O)(CN)C1 ZINC001246564947 804413040 /nfs/dbraw/zinc/41/30/40/804413040.db2.gz XUMOTVUFWGGFBU-IRXDYDNUSA-N 1 1 284.488 3.301 20 30 CGEDMO Cc1ccc(Cl)nc1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001140443752 804434972 /nfs/dbraw/zinc/43/49/72/804434972.db2.gz ADPMTXKIWODNPN-GFCCVEGCSA-N 1 1 263.772 3.169 20 30 CGEDMO Cc1ccc(Cl)nc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001140443752 804434979 /nfs/dbraw/zinc/43/49/79/804434979.db2.gz ADPMTXKIWODNPN-GFCCVEGCSA-N 1 1 263.772 3.169 20 30 CGEDMO CCCCCCCCC[C@H](C)[N@@H+]1CCNC[C@H]1COC ZINC001246592619 804435122 /nfs/dbraw/zinc/43/51/22/804435122.db2.gz GFMKWNMLLJNKAH-IRXDYDNUSA-N 1 1 284.488 3.436 20 30 CGEDMO CCCCCCCCC[C@H](C)[N@H+]1CCNC[C@H]1COC ZINC001246592619 804435126 /nfs/dbraw/zinc/43/51/26/804435126.db2.gz GFMKWNMLLJNKAH-IRXDYDNUSA-N 1 1 284.488 3.436 20 30 CGEDMO CCCCCCC[C@H](C)N1CCNC[C@]2(CCCC[NH2+]2)C1 ZINC001246621534 804455742 /nfs/dbraw/zinc/45/57/42/804455742.db2.gz CRVXWLVSJGCQHQ-ZWKOTPCHSA-N 1 1 295.515 3.153 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)nc1)C12CC3CC(CC(C3)C1)C2 ZINC001140542689 804457110 /nfs/dbraw/zinc/45/71/10/804457110.db2.gz DTCSVINBMFTURP-UHFFFAOYSA-N 1 1 281.403 3.354 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cccc3ccncc32)C1 ZINC001140644138 804483221 /nfs/dbraw/zinc/48/32/21/804483221.db2.gz AOYXBHROIBFXAS-AWEZNQCLSA-N 1 1 250.345 3.080 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(F)c(C#N)c(F)c1 ZINC001140754520 804506191 /nfs/dbraw/zinc/50/61/91/804506191.db2.gz CNQKAXYHWZEIKW-UHFFFAOYSA-N 1 1 250.292 3.234 20 30 CGEDMO Cc1cc(F)ccc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001140782252 804511224 /nfs/dbraw/zinc/51/12/24/804511224.db2.gz QHZULGBBQFIBOR-DVSIDAKKSA-N 1 1 258.340 3.401 20 30 CGEDMO O=C1C=C2C[N@@H+](Cc3coc4ccccc34)CC[C@@H]2S1 ZINC001140783114 804513963 /nfs/dbraw/zinc/51/39/63/804513963.db2.gz KAPYZQZQUXPGAG-HNNXBMFYSA-N 1 1 285.368 3.207 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3coc4ccccc34)CC[C@@H]2S1 ZINC001140783114 804513968 /nfs/dbraw/zinc/51/39/68/804513968.db2.gz KAPYZQZQUXPGAG-HNNXBMFYSA-N 1 1 285.368 3.207 20 30 CGEDMO O=C1C=C2C[N@@H+](Cc3coc4ccccc34)CCC2S1 ZINC001140783114 804513972 /nfs/dbraw/zinc/51/39/72/804513972.db2.gz KAPYZQZQUXPGAG-HNNXBMFYSA-N 1 1 285.368 3.207 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3coc4ccccc34)CCC2S1 ZINC001140783114 804513974 /nfs/dbraw/zinc/51/39/74/804513974.db2.gz KAPYZQZQUXPGAG-HNNXBMFYSA-N 1 1 285.368 3.207 20 30 CGEDMO C[C@@H]1CC[C@H](N)C[N@H+]1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246819037 804533261 /nfs/dbraw/zinc/53/32/61/804533261.db2.gz FBTMTLPLPPAHIR-SIBREGTBSA-N 1 1 297.446 3.396 20 30 CGEDMO C[C@@H]1CC[C@H]([NH3+])CN1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246819037 804533266 /nfs/dbraw/zinc/53/32/66/804533266.db2.gz FBTMTLPLPPAHIR-SIBREGTBSA-N 1 1 297.446 3.396 20 30 CGEDMO N#CCC1C[NH+](Cc2cccn2-c2ccc(Cl)cc2)C1 ZINC001140939215 804554041 /nfs/dbraw/zinc/55/40/41/804554041.db2.gz CKKDLGFIMLUGMA-UHFFFAOYSA-N 1 1 285.778 3.476 20 30 CGEDMO Cc1ccc(C[N@@H+](CCC#N)C2CCCC2)c(O)c1 ZINC001140949469 804555943 /nfs/dbraw/zinc/55/59/43/804555943.db2.gz BRDVRNZKNDMCRT-UHFFFAOYSA-N 1 1 258.365 3.359 20 30 CGEDMO N#CC1CCC([N@H+]2CCC[C@H]2c2cccnc2)CC1 ZINC001256965538 807018781 /nfs/dbraw/zinc/01/87/81/807018781.db2.gz VWBUAULLRCFPPK-BCLQGDPASA-N 1 1 255.365 3.301 20 30 CGEDMO CC[C@@H]1CCC[N@@H+](Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141114905 804591774 /nfs/dbraw/zinc/59/17/74/804591774.db2.gz YEQFNXSKLZAESI-SECBINFHSA-N 1 1 283.828 3.477 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2cc3cccnc3cc2F)C1 ZINC001141628716 804658174 /nfs/dbraw/zinc/65/81/74/804658174.db2.gz GQXXHAGEJLCIEE-CYBMUJFWSA-N 1 1 283.350 3.500 20 30 CGEDMO Cc1ccc2ccccc2c1C[N@H+]1CC[C@@H](C#N)C1 ZINC001142383488 804721028 /nfs/dbraw/zinc/72/10/28/804721028.db2.gz IAMIGJAVSYQXCK-AWEZNQCLSA-N 1 1 250.345 3.494 20 30 CGEDMO Cc1ccc2ccccc2c1C[N@H+]1CC[C@H](C#N)C1 ZINC001142383489 804721089 /nfs/dbraw/zinc/72/10/89/804721089.db2.gz IAMIGJAVSYQXCK-CQSZACIVSA-N 1 1 250.345 3.494 20 30 CGEDMO C#CC[C@H]([NH3+])c1nc(-c2ccc(CCCC)cc2)no1 ZINC001247612376 804779779 /nfs/dbraw/zinc/77/97/79/804779779.db2.gz FVOGUDYDDAJTCD-AWEZNQCLSA-N 1 1 269.348 3.102 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2cc(C)cc(C)c2)no1 ZINC001247622081 804782885 /nfs/dbraw/zinc/78/28/85/804782885.db2.gz FLMMOBITDGSPCW-ZDUSSCGKSA-N 1 1 257.337 3.319 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2ccc3c(c2)CCCC3=O)no1 ZINC001247622110 804782989 /nfs/dbraw/zinc/78/29/89/804782989.db2.gz GABADKBFEKMVBT-AWEZNQCLSA-N 1 1 297.358 3.222 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cc(Cl)ccc2OC)no1 ZINC001247622210 804783525 /nfs/dbraw/zinc/78/35/25/804783525.db2.gz IJPJBNFYOFXUAD-LLVKDONJSA-N 1 1 293.754 3.365 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2ccc(F)c(F)c2F)no1 ZINC001247623103 804784111 /nfs/dbraw/zinc/78/41/11/804784111.db2.gz XOFBDZGBXMEHHE-VIFPVBQESA-N 1 1 283.253 3.120 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cc(C(F)(F)F)ccn2)no1 ZINC001247622986 804784649 /nfs/dbraw/zinc/78/46/49/804784649.db2.gz UJKKUJQUGBXEGN-SECBINFHSA-N 1 1 298.268 3.116 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2ccc3c(c2)C(=O)CCC3)no1 ZINC001247623343 804784978 /nfs/dbraw/zinc/78/49/78/804784978.db2.gz ZVKWPDFMJGQYIE-CQSZACIVSA-N 1 1 297.358 3.222 20 30 CGEDMO COc1cc(C)c(C[N@H+]2CCC[C@@H](C#N)CC2)c(C)c1 ZINC001142934944 804787922 /nfs/dbraw/zinc/78/79/22/804787922.db2.gz IMLDUEMOJULMJV-OAHLLOKOSA-N 1 1 272.392 3.438 20 30 CGEDMO CC(C)[C@H]1CCC[N@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143174268 804816633 /nfs/dbraw/zinc/81/66/33/804816633.db2.gz OLFHLBUPRQEFJT-CQSZACIVSA-N 1 1 264.319 3.457 20 30 CGEDMO C=CC[N@H+](Cc1ccc(C)nc1N)C1CCCCC1 ZINC001143206815 804821853 /nfs/dbraw/zinc/82/18/53/804821853.db2.gz LBQLHZCOYWBWCW-UHFFFAOYSA-N 1 1 259.397 3.293 20 30 CGEDMO CCOc1ccc(F)c(F)c1C[NH+]1CCC(CC#N)CC1 ZINC001143495811 804858810 /nfs/dbraw/zinc/85/88/10/804858810.db2.gz UZLGIDZRGIOVTD-UHFFFAOYSA-N 1 1 294.345 3.489 20 30 CGEDMO N#Cc1cccc(Cl)c1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC001143718813 804887569 /nfs/dbraw/zinc/88/75/69/804887569.db2.gz PMDDYZKRHKYVLD-MRXNPFEDSA-N 1 1 290.794 3.214 20 30 CGEDMO N#Cc1cccc(Cl)c1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC001143718813 804887573 /nfs/dbraw/zinc/88/75/73/804887573.db2.gz PMDDYZKRHKYVLD-MRXNPFEDSA-N 1 1 290.794 3.214 20 30 CGEDMO CC1(C)[C@@H]2C[N@@H+](Cc3c(Cl)cccc3C#N)C[C@@H]21 ZINC001143726021 804888309 /nfs/dbraw/zinc/88/83/09/804888309.db2.gz CENBOOXBBXAXCF-BETUJISGSA-N 1 1 260.768 3.299 20 30 CGEDMO CC1(C)[C@@H]2C[N@H+](Cc3c(Cl)cccc3C#N)C[C@@H]21 ZINC001143726021 804888314 /nfs/dbraw/zinc/88/83/14/804888314.db2.gz CENBOOXBBXAXCF-BETUJISGSA-N 1 1 260.768 3.299 20 30 CGEDMO Cc1c(F)cc(F)cc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001143767746 804892739 /nfs/dbraw/zinc/89/27/39/804892739.db2.gz KIPGSKSUIBFYHO-GFCCVEGCSA-N 1 1 264.319 3.399 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cc(Cl)cn3ccnc23)C1 ZINC001248447098 804933289 /nfs/dbraw/zinc/93/32/89/804933289.db2.gz GISIRPFNAMTTHM-GFCCVEGCSA-N 1 1 288.782 3.113 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2cc(Cl)cn3ccnc23)C1 ZINC001248447098 804933290 /nfs/dbraw/zinc/93/32/90/804933290.db2.gz GISIRPFNAMTTHM-GFCCVEGCSA-N 1 1 288.782 3.113 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2cc(Cl)cn3ccnc23)CC1 ZINC001248451723 804934566 /nfs/dbraw/zinc/93/45/66/804934566.db2.gz ISGGSNNHRRBLSE-LBPRGKRZSA-N 1 1 288.782 3.113 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2cc(Cl)cn3ccnc23)CC1 ZINC001248451723 804934569 /nfs/dbraw/zinc/93/45/69/804934569.db2.gz ISGGSNNHRRBLSE-LBPRGKRZSA-N 1 1 288.782 3.113 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2ccc(-n3cccc3)cc2)C1 ZINC001144246254 804962429 /nfs/dbraw/zinc/96/24/29/804962429.db2.gz ZUANHBGPOOLAEE-INIZCTEOSA-N 1 1 265.360 3.213 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccc(-n3cccc3)cc2)C1 ZINC001144246254 804962435 /nfs/dbraw/zinc/96/24/35/804962435.db2.gz ZUANHBGPOOLAEE-INIZCTEOSA-N 1 1 265.360 3.213 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CC[C@]2(C1)CCCCO2 ZINC001248748315 804982010 /nfs/dbraw/zinc/98/20/10/804982010.db2.gz FMAAQAUUJCMDMH-SFHVURJKSA-N 1 1 284.403 3.266 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cn1)C1CCCCC1 ZINC001144437236 804988221 /nfs/dbraw/zinc/98/82/21/804988221.db2.gz KXQNEYQIKBTHIJ-UHFFFAOYSA-N 1 1 260.381 3.411 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)cc1 ZINC001144567413 805007139 /nfs/dbraw/zinc/00/71/39/805007139.db2.gz JRBQNBWQZMFDER-SJORKVTESA-N 1 1 267.372 3.002 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)cc1 ZINC001144567413 805007150 /nfs/dbraw/zinc/00/71/50/805007150.db2.gz JRBQNBWQZMFDER-SJORKVTESA-N 1 1 267.372 3.002 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC[C@H](c3ccccn3)C2)cc1 ZINC001144573677 805007719 /nfs/dbraw/zinc/00/77/19/805007719.db2.gz OKYPLKPAHYKTDY-SFHVURJKSA-N 1 1 276.383 3.443 20 30 CGEDMO Cc1cc(-c2noc([C@H]3CC[N@H+](C(C)C)C3)n2)ccc1C#N ZINC001248961198 805058351 /nfs/dbraw/zinc/05/83/51/805058351.db2.gz LSLCKUIXZPLRAC-HNNXBMFYSA-N 1 1 296.374 3.114 20 30 CGEDMO Cc1cc(C[NH+]2CCC(CC#N)CC2)c(Cl)nc1C ZINC001249018927 805072770 /nfs/dbraw/zinc/07/27/70/805072770.db2.gz CWSNDSXAMKFXFL-UHFFFAOYSA-N 1 1 277.799 3.478 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC2(CN(C(=O)C(C)(C)F)C2)C1 ZINC001146875880 805095373 /nfs/dbraw/zinc/09/53/73/805095373.db2.gz KVOUKDUKTLTJDR-UHFFFAOYSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC2(CN(C(=O)CC(C)C)C2)C1 ZINC001146905876 805097348 /nfs/dbraw/zinc/09/73/48/805097348.db2.gz VGZBTLPHJGMYGK-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC(=O)N1CC2(C1)CC[N@H+](CCCCCCC)C2 ZINC001147188169 805114984 /nfs/dbraw/zinc/11/49/84/805114984.db2.gz SHRZIXNTSANCKT-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249252501 805121537 /nfs/dbraw/zinc/12/15/37/805121537.db2.gz LZFMBHPLNXRKLS-UHFFFAOYSA-N 1 1 259.349 3.194 20 30 CGEDMO CC[C@@H](C)c1nn(C)cc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001249407271 805141016 /nfs/dbraw/zinc/14/10/16/805141016.db2.gz DWUHYVOXKUMIOE-KGLIPLIRSA-N 1 1 274.412 3.059 20 30 CGEDMO N#Cc1ccc2cc(C[N@H+]3CC[C@@H]4OCCC[C@H]4C3)[nH]c2c1 ZINC001249426326 805146860 /nfs/dbraw/zinc/14/68/60/805146860.db2.gz MIRCUIIBOZQWMZ-YJBOKZPZSA-N 1 1 295.386 3.040 20 30 CGEDMO C[C@]1(F)CCC[N@H+](Cc2cc3ccc(C#N)cc3[nH]2)C1 ZINC001249427017 805146991 /nfs/dbraw/zinc/14/69/91/805146991.db2.gz NWQGIMIYQKZGAF-INIZCTEOSA-N 1 1 271.339 3.364 20 30 CGEDMO C[C@]1(F)CCC[N@@H+](Cc2cc3ccc(C#N)cc3[nH]2)C1 ZINC001249427017 805146998 /nfs/dbraw/zinc/14/69/98/805146998.db2.gz NWQGIMIYQKZGAF-INIZCTEOSA-N 1 1 271.339 3.364 20 30 CGEDMO CC[N@@H+](Cc1cc2ccc(C#N)cc2[nH]1)Cc1ccccn1 ZINC001249429573 805147170 /nfs/dbraw/zinc/14/71/70/805147170.db2.gz HQIUCVNXHNAYAT-UHFFFAOYSA-N 1 1 290.370 3.457 20 30 CGEDMO C#CC[NH+](CC#C)Cc1cccc(Oc2ccc(O)cc2)c1 ZINC001249504474 805160779 /nfs/dbraw/zinc/16/07/79/805160779.db2.gz KDQMIIWMEXDLLI-UHFFFAOYSA-N 1 1 291.350 3.253 20 30 CGEDMO C=CCCC[N@H+]1CCC2(CN(C(=O)CCCC3CC3)C2)C1 ZINC001148104576 805162754 /nfs/dbraw/zinc/16/27/54/805162754.db2.gz QIRRKZBQHKZSER-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO N#Cc1c(F)cccc1Nc1cc[nH+]cc1C(F)(F)F ZINC001249586283 805181648 /nfs/dbraw/zinc/18/16/48/805181648.db2.gz BAYBDSRPZUBGFJ-UHFFFAOYSA-N 1 1 281.212 3.277 20 30 CGEDMO CCN1CCc2ccc(C[N@H+]3CCC[C@@H](C#N)CC3)cc21 ZINC001249664616 805206593 /nfs/dbraw/zinc/20/65/93/805206593.db2.gz KFGUHEXBJQSPKO-OAHLLOKOSA-N 1 1 283.419 3.195 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1cc(Cl)c(OC)nc1OC ZINC001249827031 805258149 /nfs/dbraw/zinc/25/81/49/805258149.db2.gz TYESCNCGPSGCKU-UHFFFAOYSA-N 1 1 284.787 3.150 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(Cl)c(OC)nc1OC ZINC001249827031 805258155 /nfs/dbraw/zinc/25/81/55/805258155.db2.gz TYESCNCGPSGCKU-UHFFFAOYSA-N 1 1 284.787 3.150 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)C[C@H]1C=CCC1 ZINC001151807037 805314451 /nfs/dbraw/zinc/31/44/51/805314451.db2.gz UGQDXNUJXKAILS-CVEARBPZSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC(CC=C)C(=O)NC[C@@H](C)[N@@H+](CC)CCC1CC1 ZINC001153560667 805401670 /nfs/dbraw/zinc/40/16/70/805401670.db2.gz GGDJPPNZTARMES-OAHLLOKOSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H](C)[N@@H+](CC)CC1CCC1 ZINC001153608299 805407257 /nfs/dbraw/zinc/40/72/57/805407257.db2.gz FRQPWXYBCOHYNX-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](CC)CC(F)F ZINC001153787924 805416253 /nfs/dbraw/zinc/41/62/53/805416253.db2.gz MRMUQSLORUQKOU-CHWSQXEVSA-N 1 1 290.398 3.071 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)C(C)(C)C ZINC001154024622 805426690 /nfs/dbraw/zinc/42/66/90/805426690.db2.gz ANJLCAHYCHZHRV-HUUCEWRRSA-N 1 1 282.472 3.461 20 30 CGEDMO C#CCCCCCC(=O)NC[C@@H](C)[N@H+](CC)C[C@@H](F)CC ZINC001154609737 805467481 /nfs/dbraw/zinc/46/74/81/805467481.db2.gz WRLUYNHIMOKDDU-CVEARBPZSA-N 1 1 298.446 3.145 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)C/C=C(\C)C=C ZINC001154676588 805477053 /nfs/dbraw/zinc/47/70/53/805477053.db2.gz KSMICPDKVORFQD-RBFDBLARSA-N 1 1 278.440 3.302 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)C/C=C\Cl ZINC001154758160 805482962 /nfs/dbraw/zinc/48/29/62/805482962.db2.gz ZVFUMXCTXIXIGQ-OZMYFSDFSA-N 1 1 286.847 3.168 20 30 CGEDMO C=CCC1(C(=O)N2CC[N@@H+](C3CCCC3)[C@H](C)C2)CCC1 ZINC001154890085 805505766 /nfs/dbraw/zinc/50/57/66/805505766.db2.gz UXSUHSFOCNQCCD-OAHLLOKOSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCCCC(=O)NC[C@@H](C)[N@@H+](CC)CCC(=C)C ZINC001154957365 805514046 /nfs/dbraw/zinc/51/40/46/805514046.db2.gz DZLJLNFZOKYHBU-OAHLLOKOSA-N 1 1 266.429 3.136 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)C/C=C/Cl)CC1 ZINC001155028202 805525932 /nfs/dbraw/zinc/52/59/32/805525932.db2.gz RESHDEIMZZAQLZ-AZWQULSGSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C1(C(C)C)CC1 ZINC001155142612 805543761 /nfs/dbraw/zinc/54/37/61/805543761.db2.gz XPKXVUBRCPXJSK-CYBMUJFWSA-N 1 1 286.847 3.002 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C1(C(C)C)CC1 ZINC001155142612 805543767 /nfs/dbraw/zinc/54/37/67/805543767.db2.gz XPKXVUBRCPXJSK-CYBMUJFWSA-N 1 1 286.847 3.002 20 30 CGEDMO N#Cc1ccc(C2CCC([N@H+]3CCC[C@@H](O)CC3)CC2)cc1 ZINC001257016330 807028266 /nfs/dbraw/zinc/02/82/66/807028266.db2.gz ADMMASDSBKYDLQ-CTWPCTMYSA-N 1 1 298.430 3.431 20 30 CGEDMO C=CCCCC[N@H+](C)[C@@H]1CC[C@H](C(=O)OCC)C1 ZINC001257062662 807038694 /nfs/dbraw/zinc/03/86/94/807038694.db2.gz FLDYFODLGVRZHY-UONOGXRCSA-N 1 1 253.386 3.006 20 30 CGEDMO COc1cc(N2CCC[C@@H](CC#N)C2)[nH+]c2ccccc21 ZINC001166743425 807090619 /nfs/dbraw/zinc/09/06/19/807090619.db2.gz RVTWOCXQAPYCTO-ZDUSSCGKSA-N 1 1 281.359 3.373 20 30 CGEDMO Cc1[nH+]c(N(C)CCc2ccc(F)cc2)ccc1CC#N ZINC001166821033 807104629 /nfs/dbraw/zinc/10/46/29/807104629.db2.gz LXPQNASNUNDRQZ-UHFFFAOYSA-N 1 1 283.350 3.274 20 30 CGEDMO CCCC[C@@H](CC)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001257418466 807145841 /nfs/dbraw/zinc/14/58/41/807145841.db2.gz DKMIPSBJGNMVDG-CHWSQXEVSA-N 1 1 253.411 3.229 20 30 CGEDMO C=CCOC(=O)[C@@H]([NH2+]C1CCCCC1)[C@@H](C)CC ZINC001257449532 807162504 /nfs/dbraw/zinc/16/25/04/807162504.db2.gz HSBHNKVSGPFXRS-JSGCOSHPSA-N 1 1 253.386 3.053 20 30 CGEDMO C=CC[C@@H]([NH2+][C@H](C)CC[C@@H](C)CCC)C(=O)OC ZINC001257472105 807172980 /nfs/dbraw/zinc/17/29/80/807172980.db2.gz QOZXHYFFDFNPJQ-BFHYXJOUSA-N 1 1 255.402 3.299 20 30 CGEDMO C#CCCCCCC[N@@H+]1Cc2ccc(C(=O)OC)cc2C1 ZINC001167350359 807184381 /nfs/dbraw/zinc/18/43/81/807184381.db2.gz HWCAVGPEJJLQLD-UHFFFAOYSA-N 1 1 285.387 3.373 20 30 CGEDMO C=CCOC(=O)N[C@H]1CCC[N@H+]([C@H](C)CCCCC)C1 ZINC001257516741 807190098 /nfs/dbraw/zinc/19/00/98/807190098.db2.gz DQXBNBJAOABFNU-CABCVRRESA-N 1 1 282.428 3.332 20 30 CGEDMO CCCCCCCCCC[C@H](C)[N@@H+]1C[C@H](CO)[C@H](O)C1 ZINC001257550689 807196588 /nfs/dbraw/zinc/19/65/88/807196588.db2.gz QUZOKOIVJNKTMP-GVDBMIGSSA-N 1 1 285.472 3.191 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CC[C@H](C(=O)OCC)C3)C[C@H](C1)C2 ZINC001257893940 807243649 /nfs/dbraw/zinc/24/36/49/807243649.db2.gz FDROTBVHUNLABW-QGPPMGRFSA-N 1 1 277.408 3.006 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CCC[C@H]3CC(=O)OC)C[C@H](C1)C2 ZINC001257894914 807243857 /nfs/dbraw/zinc/24/38/57/807243857.db2.gz CDYRNHJYOUEIQA-QGPPMGRFSA-N 1 1 277.408 3.149 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CC[C@]4(CCN(C)C4)C3)C[C@H](C1)C2 ZINC001257895729 807244943 /nfs/dbraw/zinc/24/49/43/807244943.db2.gz ZPJUFSBFDHJWEE-WFFDWFOESA-N 1 1 274.452 3.149 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CC[C@]4(CCN(C)C4)C3)C[C@H](C1)C2 ZINC001257895729 807244945 /nfs/dbraw/zinc/24/49/45/807244945.db2.gz ZPJUFSBFDHJWEE-WFFDWFOESA-N 1 1 274.452 3.149 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CC[C@@H]4OCC[C@H]4C3)C[C@H](C1)C2 ZINC001257895556 807245080 /nfs/dbraw/zinc/24/50/80/807245080.db2.gz TURWPDAKYDZTEC-HTYVYXPBSA-N 1 1 261.409 3.232 20 30 CGEDMO CC(C)CN1CCC([NH2+]C23CCC(C#N)(CC2)CC3)CC1 ZINC001258007558 807264031 /nfs/dbraw/zinc/26/40/31/807264031.db2.gz ZVNXWFPENJPGCR-UHFFFAOYSA-N 1 1 289.467 3.313 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC001258044397 807273738 /nfs/dbraw/zinc/27/37/38/807273738.db2.gz MXPIDZMQDCYRPD-KFWWJZLASA-N 1 1 257.418 3.081 20 30 CGEDMO CCCC[N@H+](CC#N)C1CCC(CC(=O)OCC)CC1 ZINC001258033538 807269920 /nfs/dbraw/zinc/26/99/20/807269920.db2.gz GRCZCFOUYNFFFT-UHFFFAOYSA-N 1 1 280.412 3.124 20 30 CGEDMO CCCC[N@@H+](CC#N)C1CCC(CC(=O)OCC)CC1 ZINC001258033538 807269923 /nfs/dbraw/zinc/26/99/23/807269923.db2.gz GRCZCFOUYNFFFT-UHFFFAOYSA-N 1 1 280.412 3.124 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CCO[C@H](COC)C1 ZINC001258049517 807275767 /nfs/dbraw/zinc/27/57/67/807275767.db2.gz JULPCABERVUVQL-GJZGRUSLSA-N 1 1 257.418 3.083 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CCOC[C@@H]1CCC(=O)OC ZINC001258052288 807278617 /nfs/dbraw/zinc/27/86/17/807278617.db2.gz NXWRKKWAOGSLPP-HOTGVXAUSA-N 1 1 299.455 3.389 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1CCC(=O)N2CCC[C@@H]2C1 ZINC001258053310 807279277 /nfs/dbraw/zinc/27/92/77/807279277.db2.gz YUGOMOMJHVRRAT-HZPDHXFCSA-N 1 1 280.456 3.432 20 30 CGEDMO N#Cc1ccccc1O[C@@H]1CCC[N@H+]([C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC001167951894 807281445 /nfs/dbraw/zinc/28/14/45/807281445.db2.gz LSEJMQXBSQQGFL-YYIAUSFCSA-N 1 1 282.387 3.200 20 30 CGEDMO C[C@@H](CC#N)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168024203 807300604 /nfs/dbraw/zinc/30/06/04/807300604.db2.gz CDKFCGHUDSWEGG-CUSZFKRNSA-N 1 1 285.435 3.320 20 30 CGEDMO C#C[C@H](C)[NH2+]C1C[C@@H](C)N(Cc2ccccc2)[C@H](C)C1 ZINC001168022475 807300996 /nfs/dbraw/zinc/30/09/96/807300996.db2.gz SEMWDYWJYOAZBB-ARFHVFGLSA-N 1 1 270.420 3.039 20 30 CGEDMO CCOC(=O)CCC[C@@H](C)[N@@H+](CCC#N)C1CCCC1 ZINC001258127169 807316912 /nfs/dbraw/zinc/31/69/12/807316912.db2.gz MRSVJUXRUOMMHQ-CQSZACIVSA-N 1 1 280.412 3.267 20 30 CGEDMO CSCC[C@@H](C)[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001258215704 807368768 /nfs/dbraw/zinc/36/87/68/807368768.db2.gz RLPXKVJBVZHEJR-GFCCVEGCSA-N 1 1 260.406 3.058 20 30 CGEDMO C=CCN1C(=O)CCC[C@@]12CCC[N@H+]([C@H](C)CC1CC1)C2 ZINC001258461417 807464004 /nfs/dbraw/zinc/46/40/04/807464004.db2.gz PCJMAVYUMCCAKA-QAPCUYQASA-N 1 1 290.451 3.208 20 30 CGEDMO CC1(C)CC[C@@H]([N@H+]2CCc3cc(C#N)ccc3C2)C1 ZINC001258602063 807500295 /nfs/dbraw/zinc/50/02/95/807500295.db2.gz HJHRCEWFWALQRM-MRXNPFEDSA-N 1 1 254.377 3.495 20 30 CGEDMO CC1(C)CC[C@H]([N@H+](CCC#N)Cc2cccnc2)C1 ZINC001258603219 807500514 /nfs/dbraw/zinc/50/05/14/807500514.db2.gz VFVRVAOWNGWKBZ-HNNXBMFYSA-N 1 1 257.381 3.376 20 30 CGEDMO CC1(C)CC[C@H]([N@@H+](CCC#N)Cc2cccnc2)C1 ZINC001258603219 807500518 /nfs/dbraw/zinc/50/05/18/807500518.db2.gz VFVRVAOWNGWKBZ-HNNXBMFYSA-N 1 1 257.381 3.376 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168741581 807501305 /nfs/dbraw/zinc/50/13/05/807501305.db2.gz ZTVZXTFFFOSIIU-GXTWGEPZSA-N 1 1 259.780 3.152 20 30 CGEDMO C=CCC[C@@H](C)N[C@H](C[NH3+])c1ccc(Br)cc1 ZINC001258720004 807568466 /nfs/dbraw/zinc/56/84/66/807568466.db2.gz OOFSBZYSGASUBX-BXUZGUMPSA-N 1 1 297.240 3.393 20 30 CGEDMO C=CCC[C@@H](C)N1CCC([NH3+])(c2ccccc2F)CC1 ZINC001258722354 807570133 /nfs/dbraw/zinc/57/01/33/807570133.db2.gz GVJMJFQOSZBHHS-CQSZACIVSA-N 1 1 276.399 3.430 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC001258725834 807573265 /nfs/dbraw/zinc/57/32/65/807573265.db2.gz NOVAPMKFYFGGNQ-WBVHZDCISA-N 1 1 258.409 3.330 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)OC(C)(C)C ZINC001258726015 807573690 /nfs/dbraw/zinc/57/36/90/807573690.db2.gz CUCXAHVQAPRKIY-AJNGGQMLSA-N 1 1 294.439 3.329 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001258730262 807576411 /nfs/dbraw/zinc/57/64/11/807576411.db2.gz CVUGVPPHOYCIBU-BHYGNILZSA-N 1 1 279.424 3.001 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@]2(CCCN2C(=O)C(C)C)C1 ZINC001258730119 807576600 /nfs/dbraw/zinc/57/66/00/807576600.db2.gz BDANBORVPXDVOW-WBVHZDCISA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@](C)(C(=O)OCC)C1 ZINC001258732477 807577939 /nfs/dbraw/zinc/57/79/39/807577939.db2.gz MAMYSDDRBNNUMK-ZFWWWQNUSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H](Oc2cccnc2)C1 ZINC001258734761 807580620 /nfs/dbraw/zinc/58/06/20/807580620.db2.gz ISIWZVBHVKMADI-ZBFHGGJFSA-N 1 1 260.381 3.280 20 30 CGEDMO C=CCC[C@H](C)[NH+]1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001258734527 807580875 /nfs/dbraw/zinc/58/08/75/807580875.db2.gz FBSWYKMYUFAAOE-WDSOQIARSA-N 1 1 284.447 3.405 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC001258735082 807580895 /nfs/dbraw/zinc/58/08/95/807580895.db2.gz ODOFGSJNUYTLTR-SZMVWBNQSA-N 1 1 270.420 3.300 20 30 CGEDMO C#C[C@](C)(CC)Nc1cc(N2CCCC2)nc(SC)[nH+]1 ZINC001169691940 807687985 /nfs/dbraw/zinc/68/79/85/807687985.db2.gz ILGZAVPTCXNCOL-OAHLLOKOSA-N 1 1 290.436 3.013 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCC)C1 ZINC001261255543 807722128 /nfs/dbraw/zinc/72/21/28/807722128.db2.gz SZLBYWVOCIHRPJ-DLBZAZTESA-N 1 1 292.467 3.456 20 30 CGEDMO N#CC1(CC[N@H+]2CC[C@H]3OCCC[C@H]3C2)CCCCC1 ZINC001261360239 807738206 /nfs/dbraw/zinc/73/82/06/807738206.db2.gz DTUTWICMKJDCRR-JKSUJKDBSA-N 1 1 276.424 3.351 20 30 CGEDMO CC[C@@H]1C[C@H]([N@@H+](CCC#N)Cc2ccccc2)CCO1 ZINC001170204029 807795214 /nfs/dbraw/zinc/79/52/14/807795214.db2.gz ODNZAYKVFGUMRS-IAGOWNOFSA-N 1 1 272.392 3.360 20 30 CGEDMO C#Cc1cccnc1N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001262690981 807896047 /nfs/dbraw/zinc/89/60/47/807896047.db2.gz QCJUYRGOQKCAKN-GDBMZVCRSA-N 1 1 283.419 3.128 20 30 CGEDMO C=CCC[C@@H]1CCCN1c1nc(N2CCCC2)cc[nH+]1 ZINC001262711710 807900043 /nfs/dbraw/zinc/90/00/43/807900043.db2.gz FUADLKGAQKZCAP-CQSZACIVSA-N 1 1 272.396 3.012 20 30 CGEDMO Cc1cn2cc(NC3=CC[C@H](C#N)CC3)ccc2[nH+]1 ZINC001212857336 815161195 /nfs/dbraw/zinc/16/11/95/815161195.db2.gz HAIUKZMYWHRRBF-LBPRGKRZSA-N 1 1 252.321 3.262 20 30 CGEDMO CC[N@@H+]1CC=C(c2cnc(NCCCS)c(C)c2)CC1 ZINC001171000664 807954899 /nfs/dbraw/zinc/95/48/99/807954899.db2.gz BAZNCRNZYZHIKX-UHFFFAOYSA-N 1 1 291.464 3.231 20 30 CGEDMO CC[N@@H+](CCC#N)[C@H]1CCc2cc(Cl)ccc2C1 ZINC001171128280 807993045 /nfs/dbraw/zinc/99/30/45/807993045.db2.gz GOWFIDYUJFGUKI-HNNXBMFYSA-N 1 1 262.784 3.433 20 30 CGEDMO N#C[C@H]1CCC[N@H+]([C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171134970 807995933 /nfs/dbraw/zinc/99/59/33/807995933.db2.gz IVFSKOQMCAODGR-MLGOLLRUSA-N 1 1 274.795 3.433 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H](C)CC(C)(C)C ZINC001263812624 808007117 /nfs/dbraw/zinc/00/71/17/808007117.db2.gz QTPJVRMGXRCVST-GJZGRUSLSA-N 1 1 280.456 3.168 20 30 CGEDMO CC[N@@H+](CCN1CCCCC1)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171222742 808012926 /nfs/dbraw/zinc/01/29/26/808012926.db2.gz IWTZMVQXJYBGSU-KRWDZBQOSA-N 1 1 299.462 3.297 20 30 CGEDMO CCN(CC[NH+]1CCCCC1)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171222742 808012933 /nfs/dbraw/zinc/01/29/33/808012933.db2.gz IWTZMVQXJYBGSU-KRWDZBQOSA-N 1 1 299.462 3.297 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)/C(C)=C/C ZINC001264029442 808029488 /nfs/dbraw/zinc/02/94/88/808029488.db2.gz DIJNUFLDJAYSCM-MYSFTUOFSA-N 1 1 290.451 3.134 20 30 CGEDMO N#C[C@@H]1CCC[N@H+]([C@@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171382714 808040025 /nfs/dbraw/zinc/04/00/25/808040025.db2.gz CYIVQXUHVGLZHR-IUODEOHRSA-N 1 1 290.357 3.448 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@@H+](CCC(=C)C)[C@@H]1C ZINC001264157544 808041446 /nfs/dbraw/zinc/04/14/46/808041446.db2.gz JXZIHWVQWYXRLS-OAGGEKHMSA-N 1 1 278.440 3.134 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](C)CC ZINC001264179305 808044065 /nfs/dbraw/zinc/04/40/65/808044065.db2.gz QCAFXXOWSDABCI-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@H]1CCc2c(F)cccc2C1 ZINC001171434971 808056008 /nfs/dbraw/zinc/05/60/08/808056008.db2.gz VSWQOZWLHRNFHK-AWEZNQCLSA-N 1 1 260.356 3.309 20 30 CGEDMO N#CC[C@H]1CCC[N@H+]([C@@H]2CCc3c(F)cccc3C2)C1 ZINC001171437686 808056393 /nfs/dbraw/zinc/05/63/93/808056393.db2.gz LYWNWGYENACUIM-UKRRQHHQSA-N 1 1 272.367 3.309 20 30 CGEDMO N#C[C@H]1CCC[N@H+]([C@@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171492670 808075418 /nfs/dbraw/zinc/07/54/18/808075418.db2.gz GYTIZTAIUZNXCM-SWLSCSKDSA-N 1 1 290.357 3.448 20 30 CGEDMO N#C[C@@H]1CCC[N@H+]([C@H]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001171492668 808076000 /nfs/dbraw/zinc/07/60/00/808076000.db2.gz GYTIZTAIUZNXCM-DOMZBBRYSA-N 1 1 290.357 3.448 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C[C@H](CC)C(C)C)[C@H]1CC ZINC001264623788 808082345 /nfs/dbraw/zinc/08/23/45/808082345.db2.gz OXSOPVPDARYHKR-HRCADAONSA-N 1 1 280.456 3.214 20 30 CGEDMO CC[N@H+](CCC#N)[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171542526 808089609 /nfs/dbraw/zinc/08/96/09/808089609.db2.gz SFGGCQHCUTWFEV-NSHDSACASA-N 1 1 282.309 3.197 20 30 CGEDMO CC[N@@H+](CCC#N)[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171542526 808089615 /nfs/dbraw/zinc/08/96/15/808089615.db2.gz SFGGCQHCUTWFEV-NSHDSACASA-N 1 1 282.309 3.197 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](F)CC)CC(C)(C)C1 ZINC001264753589 808092342 /nfs/dbraw/zinc/09/23/42/808092342.db2.gz LBVHDRPQKZCYHV-CABCVRRESA-N 1 1 298.446 3.308 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)c1sc(C)cc1C ZINC001265115711 808110690 /nfs/dbraw/zinc/11/06/90/808110690.db2.gz GSSOMSXCJHQYSB-UHFFFAOYSA-N 1 1 294.464 3.383 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)C[C@@H]1CC[C@@H](C)C1 ZINC001265127663 808110824 /nfs/dbraw/zinc/11/08/24/808110824.db2.gz GVVNROBWJJAUSX-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@@H+](CC)CCCNC(=O)[C@@H]1CCC[C@H](C)C1 ZINC001265131272 808112688 /nfs/dbraw/zinc/11/26/88/808112688.db2.gz TYCNARJHHZIARO-JKSUJKDBSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)C[C@@H]2CC=CCC2)C1 ZINC001265392838 808138596 /nfs/dbraw/zinc/13/85/96/808138596.db2.gz MTYFDPAHCMVKRF-IAGOWNOFSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)CCC)C1 ZINC001265386839 808138681 /nfs/dbraw/zinc/13/86/81/808138681.db2.gz NTYYYLDMFTYLNX-CVEARBPZSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2cccc3nsnc32)C1 ZINC001171841383 808148624 /nfs/dbraw/zinc/14/86/24/808148624.db2.gz ODEAHZUYHIKZQX-LBPRGKRZSA-N 1 1 273.405 3.479 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)CCC)C1 ZINC001265577088 808156801 /nfs/dbraw/zinc/15/68/01/808156801.db2.gz BOSVLBHUBCFGOA-JKSUJKDBSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)C2(F)CCCCC2)C1 ZINC001265594536 808158065 /nfs/dbraw/zinc/15/80/65/808158065.db2.gz DIIUXTGMCANRNF-HNNXBMFYSA-N 1 1 296.430 3.063 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](CC)CCCCC)C1 ZINC001265596597 808160058 /nfs/dbraw/zinc/16/00/58/808160058.db2.gz GQIRUUQKYNLOFJ-IAGOWNOFSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@]1(C)CC=CCC1 ZINC001265644860 808162886 /nfs/dbraw/zinc/16/28/86/808162886.db2.gz DBNVTDXQCZVNRD-AEFFLSMTSA-N 1 1 290.451 3.280 20 30 CGEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](C)CC(C)(C)C ZINC001265654148 808165128 /nfs/dbraw/zinc/16/51/28/808165128.db2.gz OCDJLJSBMUFKQN-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C=C(CC)CC)C1 ZINC001265700207 808170063 /nfs/dbraw/zinc/17/00/63/808170063.db2.gz OFPOBWDHHXJHMN-HOCLYGCPSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)/C=C\C(C)(C)C ZINC001265815135 808184437 /nfs/dbraw/zinc/18/44/37/808184437.db2.gz OYCACFUIMYOKKR-SSCKCOOKSA-N 1 1 280.456 3.382 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)C12CCC(CC1)C2 ZINC001265874513 808189677 /nfs/dbraw/zinc/18/96/77/808189677.db2.gz GAYOEXVRLCOKSL-HJOIGYKYSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172175818 808190213 /nfs/dbraw/zinc/19/02/13/808190213.db2.gz DKLHJCIHFMWLMJ-GJZGRUSLSA-N 1 1 266.429 3.042 20 30 CGEDMO C=CC[N@@H+](C)CCCNC(=O)c1csc2ccccc21 ZINC001265896833 808190303 /nfs/dbraw/zinc/19/03/03/808190303.db2.gz AHCNZXGNKWKYRB-UHFFFAOYSA-N 1 1 288.416 3.139 20 30 CGEDMO C#CC[N@@H+](C)CCCNC(=O)c1cccc(C2CCCC2)c1 ZINC001265953626 808196012 /nfs/dbraw/zinc/19/60/12/808196012.db2.gz CQHIQUDUIUMGSP-UHFFFAOYSA-N 1 1 298.430 3.029 20 30 CGEDMO CCC[N@H+](CCC#N)[C@H]1CSc2ccccc2C1 ZINC001172203550 808197996 /nfs/dbraw/zinc/19/79/96/808197996.db2.gz SYCINPOCZNUTHD-CQSZACIVSA-N 1 1 260.406 3.329 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@H]1CSc2ccccc2C1 ZINC001172203550 808198002 /nfs/dbraw/zinc/19/80/02/808198002.db2.gz SYCINPOCZNUTHD-CQSZACIVSA-N 1 1 260.406 3.329 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@H]2CSc3ccccc3C2)C1 ZINC001172205710 808198900 /nfs/dbraw/zinc/19/89/00/808198900.db2.gz JUDXUAIHQMFKLE-DZGCQCFKSA-N 1 1 257.402 3.049 20 30 CGEDMO CCCCCCC[N@@H+](C)C1CCN(CCCOC)CC1 ZINC001172255664 808209543 /nfs/dbraw/zinc/20/95/43/808209543.db2.gz ZTBMLKMEKNROFR-UHFFFAOYSA-N 1 1 284.488 3.390 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)/C=C(\C)C2CC2)C1 ZINC001266094779 808211786 /nfs/dbraw/zinc/21/17/86/808211786.db2.gz ZWVAHZUATPPQSV-LCJXNMAOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)C(CCC)CCC)C1 ZINC001266107392 808212719 /nfs/dbraw/zinc/21/27/19/808212719.db2.gz BYWKAZMXZUTPPK-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCc2cc(O)ccc2C1 ZINC001172314661 808225697 /nfs/dbraw/zinc/22/56/97/808225697.db2.gz LDKVDFSPRQRGDL-CQSZACIVSA-N 1 1 292.382 3.253 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)C2(C)CC2)C1 ZINC001266218141 808227944 /nfs/dbraw/zinc/22/79/44/808227944.db2.gz MDPHXRLSJIPHJY-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C#CCCCCC(=O)N[C@H]1CCC[N@H+]([C@H](C)CCC=C)C1 ZINC001266215826 808228218 /nfs/dbraw/zinc/22/82/18/808228218.db2.gz NPKGRTPQJDLAGX-SJORKVTESA-N 1 1 290.451 3.115 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](C)CCCCC)C1 ZINC001266242984 808232414 /nfs/dbraw/zinc/23/24/14/808232414.db2.gz KEYQDFUKVPEFPB-IAGOWNOFSA-N 1 1 292.467 3.197 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)CC)C1 ZINC001266301989 808238197 /nfs/dbraw/zinc/23/81/97/808238197.db2.gz GZXWAMIGBSGXJO-LSDHHAIUSA-N 1 1 268.445 3.193 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001266336476 808245169 /nfs/dbraw/zinc/24/51/69/808245169.db2.gz QFERROWKVZFBDD-DOTOQJQBSA-N 1 1 290.451 3.280 20 30 CGEDMO C#CCC1(C(=O)NCC[N@H+](C)C[C@@H](C)CC)CCCCC1 ZINC001266365363 808249922 /nfs/dbraw/zinc/24/99/22/808249922.db2.gz YIAROCFUSXOSAJ-INIZCTEOSA-N 1 1 292.467 3.054 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CCCO[C@H](C(=O)OC)C1 ZINC001172360031 808255159 /nfs/dbraw/zinc/25/51/59/808255159.db2.gz HWWSGDAETHFNAF-HOTGVXAUSA-N 1 1 299.455 3.389 20 30 CGEDMO C=CC[N@@H+](CC)CCNC(=O)c1csc2ccccc21 ZINC001266405841 808257196 /nfs/dbraw/zinc/25/71/96/808257196.db2.gz IYQMINYMBVDLMF-UHFFFAOYSA-N 1 1 288.416 3.139 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)c1ccc(Cl)s1 ZINC001266434933 808263866 /nfs/dbraw/zinc/26/38/66/808263866.db2.gz UTDRZKLRLSKOKM-UHFFFAOYSA-N 1 1 286.828 3.029 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)/C(C)=C\C ZINC001266480939 808274472 /nfs/dbraw/zinc/27/44/72/808274472.db2.gz BPEGWTSBDJJUHE-YPFPCPGCSA-N 1 1 290.451 3.374 20 30 CGEDMO C#CCCCCC(=O)NC[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001266509258 808279796 /nfs/dbraw/zinc/27/97/96/808279796.db2.gz NGJOFLKCVUYXDS-INIZCTEOSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001266523902 808280741 /nfs/dbraw/zinc/28/07/41/808280741.db2.gz XPLHKICKTALSOT-BZUAXINKSA-N 1 1 292.467 3.073 20 30 CGEDMO CC/C=C/CC[N@@H+](CCC)CCNC(=O)C#CC(C)(C)C ZINC001266560274 808287285 /nfs/dbraw/zinc/28/72/85/808287285.db2.gz HEKDWLTYYFXHRN-CMDGGOBGSA-N 1 1 292.467 3.220 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCC(=C)C ZINC001266887659 808330476 /nfs/dbraw/zinc/33/04/76/808330476.db2.gz ZPWIXOIGILOIOZ-IAGOWNOFSA-N 1 1 290.451 3.374 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC001172498855 808355447 /nfs/dbraw/zinc/35/54/47/808355447.db2.gz RUILRTKOUDYNDT-KGLIPLIRSA-N 1 1 280.412 3.122 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001172500551 808355765 /nfs/dbraw/zinc/35/57/65/808355765.db2.gz NIGVNCOJPMYEOU-YJBOKZPZSA-N 1 1 297.402 3.484 20 30 CGEDMO COc1ccccc1O[C@H]1CC[N@H+]([C@H](C)CCCC#N)C1 ZINC001172499093 808355819 /nfs/dbraw/zinc/35/58/19/808355819.db2.gz UZOJMBSHFVZFGX-CABCVRRESA-N 1 1 288.391 3.231 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCc2ncc(Cl)cc2C1 ZINC001172498498 808356509 /nfs/dbraw/zinc/35/65/09/808356509.db2.gz NPOSNZLJGNXGJM-NSHDSACASA-N 1 1 263.772 3.175 20 30 CGEDMO C[C@@H](CCCC#N)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001172503162 808358626 /nfs/dbraw/zinc/35/86/26/808358626.db2.gz YGQAZLFOIIWADW-IRXDYDNUSA-N 1 1 285.435 3.448 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)C2(CF)CCC2)C1 ZINC001267110918 808360074 /nfs/dbraw/zinc/36/00/74/808360074.db2.gz DFGKYKFNVYQCFK-HNNXBMFYSA-N 1 1 296.430 3.015 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC001172503988 808360079 /nfs/dbraw/zinc/36/00/79/808360079.db2.gz DGAMWXTVTGJFKM-UONOGXRCSA-N 1 1 280.412 3.265 20 30 CGEDMO C[C@H](CCCC#N)[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001172506633 808363097 /nfs/dbraw/zinc/36/30/97/808363097.db2.gz XZFRNTRIGDXLTL-ZACQAIPSSA-N 1 1 283.419 3.137 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001172508452 808363450 /nfs/dbraw/zinc/36/34/50/808363450.db2.gz DHKYCXWSWUKYEL-UHOSZYNNSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H](CCCC#N)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001172508452 808363457 /nfs/dbraw/zinc/36/34/57/808363457.db2.gz DHKYCXWSWUKYEL-UHOSZYNNSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H](CCCC#N)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001172508452 808363464 /nfs/dbraw/zinc/36/34/64/808363464.db2.gz DHKYCXWSWUKYEL-UHOSZYNNSA-N 1 1 297.446 3.275 20 30 CGEDMO CCCCCCC[C@H](CCC)[N@H+]1CCC[C@H]1C(N)=O ZINC001172508739 808364376 /nfs/dbraw/zinc/36/43/76/808364376.db2.gz NLGPJQGXYHATLM-GJZGRUSLSA-N 1 1 268.445 3.465 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccoc1Cl ZINC001267266433 808401012 /nfs/dbraw/zinc/40/10/12/808401012.db2.gz JEPDMJCPFUGZJI-GFCCVEGCSA-N 1 1 296.798 3.093 20 30 CGEDMO C=CCCCC[N@H+](C)[C@H]1CCC[C@@H](C(=O)OC)C1 ZINC001172625676 808404935 /nfs/dbraw/zinc/40/49/35/808404935.db2.gz XDFOUCMLQQOZMN-KGLIPLIRSA-N 1 1 253.386 3.006 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)CCC2CCCCC2)C1 ZINC001267306594 808410920 /nfs/dbraw/zinc/41/09/20/808410920.db2.gz WLVOKECXFAZIKG-KRWDZBQOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[N@H+](CCC(C)(C)C)C1CC1 ZINC001267330489 808414939 /nfs/dbraw/zinc/41/49/39/808414939.db2.gz AKKYKAKAVGMNPS-UHFFFAOYSA-N 1 1 280.456 3.215 20 30 CGEDMO CC#CC[N@@H+](CCCNC(=O)[C@]1(C)CCC[C@H]1C)C(C)C ZINC001267507214 808435472 /nfs/dbraw/zinc/43/54/72/808435472.db2.gz HPLSNJFDCTYJOK-SJLPKXTDSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](CCNC(=O)C2CC=CC2)C1 ZINC001267513515 808437130 /nfs/dbraw/zinc/43/71/30/808437130.db2.gz KQKOLNTZTDQSSH-HOTGVXAUSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@H+]([C@@H]1CCC[C@@H](C(=O)OC)CC1)C(C)(C)C ZINC001172803852 808442583 /nfs/dbraw/zinc/44/25/83/808442583.db2.gz RDHUGRUEVYFXLJ-ZIAGYGMSSA-N 1 1 267.413 3.395 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)CC(C)(C)C2CC2)C1 ZINC001267541046 808442771 /nfs/dbraw/zinc/44/27/71/808442771.db2.gz UKKQGONJGAXQFQ-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCC[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001267564870 808447680 /nfs/dbraw/zinc/44/76/80/808447680.db2.gz GPYWBSDMDPLWPV-SJLPKXTDSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](CCC)C(C)C)C1 ZINC001267575058 808450264 /nfs/dbraw/zinc/45/02/64/808450264.db2.gz AZNRUDMZPQHWKV-SJORKVTESA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[N@@H+](C)CC1CCN(C(=O)C[C@@H]2C=CCC2)CC1 ZINC001267596951 808455513 /nfs/dbraw/zinc/45/55/13/808455513.db2.gz UYWWNRYKXCODOH-MRXNPFEDSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@H](C)[C@H](C)CC)CC1 ZINC001267602803 808457228 /nfs/dbraw/zinc/45/72/28/808457228.db2.gz LODRVVVUQMADFE-HZPDHXFCSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCCCCC[NH+]1CC(NC(=O)[C@H]2CCCC[C@H]2C)C1 ZINC001267657028 808466240 /nfs/dbraw/zinc/46/62/40/808466240.db2.gz DMAKPIWLWSGSGQ-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC[C@@H](C[N@@H+](C)CCC2CC2)C1 ZINC001267671172 808468873 /nfs/dbraw/zinc/46/88/73/808468873.db2.gz RLIJQJAHMJULLB-RDJZCZTQSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC1(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC(C)C)CCCC1 ZINC001267717031 808476042 /nfs/dbraw/zinc/47/60/42/808476042.db2.gz VVUFSKLCGGLGBF-HOTGVXAUSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC23CCC3)C1 ZINC001267730904 808478071 /nfs/dbraw/zinc/47/80/71/808478071.db2.gz GINDDJFPFWWBMU-HOTGVXAUSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCCCC(C)(C)C)C1 ZINC001267741498 808480305 /nfs/dbraw/zinc/48/03/05/808480305.db2.gz ALLJXEFCEPMFAX-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2occc2Cl)C1 ZINC001267749483 808482984 /nfs/dbraw/zinc/48/29/84/808482984.db2.gz QUFVSCUPTGMBSJ-NWDGAFQWSA-N 1 1 296.798 3.092 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)CCC=C(C)C)C1 ZINC001267748951 808483115 /nfs/dbraw/zinc/48/31/15/808483115.db2.gz FFLQOZLUAGIIBK-JKSUJKDBSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC(C)(C)C(=O)N(C)[C@@H]1CC[N@H+](CC/C=C/CCC)C1 ZINC001267768008 808486445 /nfs/dbraw/zinc/48/64/45/808486445.db2.gz LMAJOLQWNAMQMV-ZNFPLGDCSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)CCCC2CC2)C1 ZINC001267789096 808494127 /nfs/dbraw/zinc/49/41/27/808494127.db2.gz FNHFVUGDSRBRLT-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO CC#CCCCC(=O)N[C@@H]1CCC[N@@H+](CCC(C)(C)C)C1 ZINC001267962420 808521156 /nfs/dbraw/zinc/52/11/56/808521156.db2.gz MNSPUOMHZQPLNB-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)/C(C)=C\CC)C1 ZINC001268159188 808551972 /nfs/dbraw/zinc/55/19/72/808551972.db2.gz JQRYPAUKZHRGEF-RPZAIAHZSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C[C@H](CC(=O)N(C)CC[N@H+](C)C(C)C)c1ccccc1 ZINC001268259639 808571741 /nfs/dbraw/zinc/57/17/41/808571741.db2.gz NURYNQPWVIYADI-MRXNPFEDSA-N 1 1 288.435 3.145 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@H+]([C@H]3CC[C@H](CC)C3)C2)C1=O ZINC001173284537 808585059 /nfs/dbraw/zinc/58/50/59/808585059.db2.gz ZYLSLWFSIJHCQS-BQFCYCMXSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[C@H](C)[NH+]1CC(NC(=O)c2ccoc2CCC)C1 ZINC001268468787 808590853 /nfs/dbraw/zinc/59/08/53/808590853.db2.gz IKFFCYCHTRNPBQ-ZDUSSCGKSA-N 1 1 290.407 3.001 20 30 CGEDMO CCCCCCCC[C@H](CCC)[N@H+]1CCO[C@H](C(N)=O)C1 ZINC001173309696 808605621 /nfs/dbraw/zinc/60/56/21/808605621.db2.gz JSAPXVPIVGQTSB-HOTGVXAUSA-N 1 1 298.471 3.092 20 30 CGEDMO C=CCOC1CCC([NH2+]C(C)(C)C(=O)OC(C)(C)C)CC1 ZINC001173314004 808607273 /nfs/dbraw/zinc/60/72/73/808607273.db2.gz HMCKEHCYDXAFCP-UHFFFAOYSA-N 1 1 297.439 3.210 20 30 CGEDMO C=CCOC1CCC([N@H+]2CCc3c(O)cccc3C2)CC1 ZINC001173320401 808611262 /nfs/dbraw/zinc/61/12/62/808611262.db2.gz HSFFPWSMQOWNET-UHFFFAOYSA-N 1 1 287.403 3.264 20 30 CGEDMO C=CCOC1CCC([N@H+]2CC[C@@](C)(F)[C@@H](F)C2)CC1 ZINC001173321356 808611719 /nfs/dbraw/zinc/61/17/19/808611719.db2.gz JIWVXVLSBALTSZ-PFSRBDOWSA-N 1 1 273.367 3.272 20 30 CGEDMO CC(C)CN1CCC([NH2+]C2CCC(CC#N)CC2)CC1 ZINC001173328863 808614477 /nfs/dbraw/zinc/61/44/77/808614477.db2.gz RDRPBZQDPSXSAA-UHFFFAOYSA-N 1 1 277.456 3.169 20 30 CGEDMO N#CCC1CCC([N@H+]2CC[C@@H](N3CCCCC3)C2)CC1 ZINC001173336736 808617278 /nfs/dbraw/zinc/61/72/78/808617278.db2.gz JSMCANFCMDJGLF-OFLPRAFFSA-N 1 1 275.440 3.019 20 30 CGEDMO C=CC[N@H+](C)C[C@H](C)NC(=O)CCCCC(C)(C)C ZINC001268731537 808618027 /nfs/dbraw/zinc/61/80/27/808618027.db2.gz OCWKFENONQBHAN-AWEZNQCLSA-N 1 1 268.445 3.215 20 30 CGEDMO C[N@@H+](CCc1ccncc1)C1CCC(CC#N)CC1 ZINC001173338340 808618302 /nfs/dbraw/zinc/61/83/02/808618302.db2.gz DNQLNVVZFKWPIK-UHFFFAOYSA-N 1 1 257.381 3.028 20 30 CGEDMO CC[N@@H+](Cc1cccnc1)C1CCC(CC#N)CC1 ZINC001173339504 808619968 /nfs/dbraw/zinc/61/99/68/808619968.db2.gz QLNQZLAFXHRGKK-UHFFFAOYSA-N 1 1 257.381 3.376 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[C@H](C)CCCCC)C1 ZINC001269069406 808645590 /nfs/dbraw/zinc/64/55/90/808645590.db2.gz NDRXQDOBSJAFHL-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO CC1(C#N)CCC([NH+]2CCN(C3CCCCC3)CC2)CC1 ZINC001173592655 808648516 /nfs/dbraw/zinc/64/85/16/808648516.db2.gz XMCUYVLDJZYSNR-UHFFFAOYSA-N 1 1 289.467 3.409 20 30 CGEDMO CC1(C#N)CCC([N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)CC1 ZINC001173594327 808649745 /nfs/dbraw/zinc/64/97/45/808649745.db2.gz ZIZGJWZEPBTJPR-VTXSZYRJSA-N 1 1 268.351 3.436 20 30 CGEDMO CO[C@H]1CCC[C@@H]2C[N@H+](C3CCC(C)(C#N)CC3)C[C@@H]21 ZINC001173596285 808649890 /nfs/dbraw/zinc/64/98/90/808649890.db2.gz QMENKELSEBPJOG-NZZOYKRFSA-N 1 1 276.424 3.206 20 30 CGEDMO C=C(C)C[N@H+](CC)C1CCC2(C[C@@H]2C(=O)OCC)CC1 ZINC001173623769 808656045 /nfs/dbraw/zinc/65/60/45/808656045.db2.gz SEMWRJQPWMEWMV-ISXOHVOVSA-N 1 1 279.424 3.396 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2ccccc2)C1 ZINC001269208754 808657002 /nfs/dbraw/zinc/65/70/02/808657002.db2.gz POYCOKMXWDTLEQ-RDJZCZTQSA-N 1 1 286.419 3.188 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)C(C)(C)C)C1 ZINC001269250568 808659509 /nfs/dbraw/zinc/65/95/09/808659509.db2.gz GHHUPNDWYBAWKX-CABCVRRESA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)CCCC)C1 ZINC001269235461 808659915 /nfs/dbraw/zinc/65/99/15/808659915.db2.gz XQWLYNGCRJPFOE-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H]1CC[C@H](CC(=O)OCC)C1 ZINC001173659110 808660988 /nfs/dbraw/zinc/66/09/88/808660988.db2.gz TZYIITUTUVFSMI-KBPBESRZSA-N 1 1 253.386 3.006 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H]1CC[C@H](CC(=O)OCC)C1 ZINC001173659112 808661023 /nfs/dbraw/zinc/66/10/23/808661023.db2.gz TZYIITUTUVFSMI-UONOGXRCSA-N 1 1 253.386 3.006 20 30 CGEDMO C#CC[N@H+](C)C1CCC2(CCc3ccccc32)CC1 ZINC001173688925 808665304 /nfs/dbraw/zinc/66/53/04/808665304.db2.gz BOZZIYYHJYKJCN-UHFFFAOYSA-N 1 1 253.389 3.378 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C)c1cccs1 ZINC001269293340 808665447 /nfs/dbraw/zinc/66/54/47/808665447.db2.gz WXDKNSMQYPADAK-UONOGXRCSA-N 1 1 292.448 3.008 20 30 CGEDMO C#CCCCCC(=O)N(CC)[C@@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001269317915 808669493 /nfs/dbraw/zinc/66/94/93/808669493.db2.gz HOBGTVDCQHROIO-QGZVFWFLSA-N 1 1 290.451 3.069 20 30 CGEDMO C#CCCCCC(=O)N(CC)[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC001269319573 808670312 /nfs/dbraw/zinc/67/03/12/808670312.db2.gz ZEJHZWIZDBECMP-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)CCC(=O)N(CC)[C@@H]1CC[N@H+](C/C=C\Cl)C1 ZINC001269332782 808671970 /nfs/dbraw/zinc/67/19/70/808671970.db2.gz STYFQNBDRRZGCM-VYLZPFMQSA-N 1 1 284.831 3.018 20 30 CGEDMO C=C(C)CCC(=O)N(CC)[C@@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC001269332782 808671978 /nfs/dbraw/zinc/67/19/78/808671978.db2.gz STYFQNBDRRZGCM-VYLZPFMQSA-N 1 1 284.831 3.018 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CC[N@@H+]2CC=C(C)C)CCCC1 ZINC001269355539 808672978 /nfs/dbraw/zinc/67/29/78/808672978.db2.gz GUMXVKNRHORQPS-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H](C)CC ZINC001269655096 808695155 /nfs/dbraw/zinc/69/51/55/808695155.db2.gz LGOSUDUXBNGDMM-HRCADAONSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C)CCCC)C2)C1 ZINC001269686856 808697222 /nfs/dbraw/zinc/69/72/22/808697222.db2.gz RCHPLFAXPACVRX-WMZOPIPTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)/C=C\C(C)(C)C)CC1 ZINC001270212733 808721272 /nfs/dbraw/zinc/72/12/72/808721272.db2.gz HATOYLKCEYLWJB-SREVYHEPSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)CCC(C)C)CC2 ZINC001270322880 808725475 /nfs/dbraw/zinc/72/54/75/808725475.db2.gz JMGACJSSQRQNQT-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)CCC(C)C)CC2 ZINC001270323217 808725489 /nfs/dbraw/zinc/72/54/89/808725489.db2.gz QVLFXZSAWWFILG-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)C[C@@H](C)CCC)C1 ZINC001270556472 808734541 /nfs/dbraw/zinc/73/45/41/808734541.db2.gz DVOSNLHBTLKKLJ-RDJZCZTQSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CCCCCCC(=O)NC[C@]1(C)CCC[N@H+](C(C)C)C1 ZINC001270983292 808757318 /nfs/dbraw/zinc/75/73/18/808757318.db2.gz PJRLZSXIYKWFGT-SFHVURJKSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@]1(C)CCC[N@@H+](CC2CCC2)C1 ZINC001270983066 808758143 /nfs/dbraw/zinc/75/81/43/808758143.db2.gz MEJQMZHXAKNVCU-SFHVURJKSA-N 1 1 292.467 3.217 20 30 CGEDMO C[NH+](C)Cc1ccccc1Nc1cc(C#N)c(F)cc1O ZINC001173930611 808769979 /nfs/dbraw/zinc/76/99/79/808769979.db2.gz KCRIGLWEXVSMNT-UHFFFAOYSA-N 1 1 285.322 3.208 20 30 CGEDMO C=C(C)CCC(=O)N(C)CC[N@@H+](C)CCc1cccs1 ZINC001272027998 808793145 /nfs/dbraw/zinc/79/31/45/808793145.db2.gz PEDLKVWGOISHTD-UHFFFAOYSA-N 1 1 294.464 3.037 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)CCC ZINC001272016118 808794060 /nfs/dbraw/zinc/79/40/60/808794060.db2.gz OBQAORRAGVREGF-NWANDNLSSA-N 1 1 298.858 3.240 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)CCC ZINC001272016118 808794068 /nfs/dbraw/zinc/79/40/68/808794068.db2.gz OBQAORRAGVREGF-NWANDNLSSA-N 1 1 298.858 3.240 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)CC=C)CC[C@H]21 ZINC001272223532 808801919 /nfs/dbraw/zinc/80/19/19/808801919.db2.gz GGURNRDFCXKWSB-JKSUJKDBSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccccc1 ZINC001272594005 808816949 /nfs/dbraw/zinc/81/69/49/808816949.db2.gz ODFTYPOYSHHXEA-IBGZPJMESA-N 1 1 298.430 3.220 20 30 CGEDMO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C)cc1 ZINC001272972541 808828743 /nfs/dbraw/zinc/82/87/43/808828743.db2.gz UIKIPBQCQCEZKJ-IBGZPJMESA-N 1 1 298.430 3.138 20 30 CGEDMO COc1cccc(C#N)c1Nc1cc[nH+]c2ccccc12 ZINC001174040150 808840083 /nfs/dbraw/zinc/84/00/83/808840083.db2.gz USMLFOKVKJTCGI-UHFFFAOYSA-N 1 1 275.311 3.281 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@@]12CC(=O)N([C@@H](C)CC)C2 ZINC001273486905 808848209 /nfs/dbraw/zinc/84/82/09/808848209.db2.gz RJFPVGAKCVNDRN-RDJZCZTQSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CCCC[N@H+]1CCCC[C@@]12CC(=O)N(C1CCCC1)C2 ZINC001273487645 808848425 /nfs/dbraw/zinc/84/84/25/808848425.db2.gz NPMPRRNNEQTCRI-SFHVURJKSA-N 1 1 290.451 3.352 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)[C@H]1CCCC[C@@H]1C ZINC001273554299 808853413 /nfs/dbraw/zinc/85/34/13/808853413.db2.gz RWKXACJFUMUKAO-HOTGVXAUSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC=C)C2 ZINC001273833624 808861450 /nfs/dbraw/zinc/86/14/50/808861450.db2.gz PMHXPIDYVBNBDF-GOSISDBHSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCCC)C2 ZINC001273823907 808861863 /nfs/dbraw/zinc/86/18/63/808861863.db2.gz DWNFTRMZTKTBKI-SFHVURJKSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[N@H+](CC(=C)C)CC1(C)C ZINC001274446107 808876016 /nfs/dbraw/zinc/87/60/16/808876016.db2.gz MMNNUHLXCYHYRC-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C#CCC[N@H+](CC)CC1CCN(C(=O)[C@H](C)CCC)CC1 ZINC001274945553 808893519 /nfs/dbraw/zinc/89/35/19/808893519.db2.gz PPWMPZRZZGZVJZ-MRXNPFEDSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@@H]1C=CCC1 ZINC001275088357 808905931 /nfs/dbraw/zinc/90/59/31/808905931.db2.gz UVJIRBPHTAYUOO-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)CC1CCCCC1 ZINC001275086357 808906262 /nfs/dbraw/zinc/90/62/62/808906262.db2.gz APKAHVYKBBVBOQ-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)C1(C)CCC1 ZINC001275135678 808913989 /nfs/dbraw/zinc/91/39/89/808913989.db2.gz MXZOZJPSCYIUJB-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@H](C)NC(=O)/C=C\C(C)(C)C ZINC001275521076 808943637 /nfs/dbraw/zinc/94/36/37/808943637.db2.gz MHMWESKIWRDZIM-NKQSMMKRSA-N 1 1 280.456 3.380 20 30 CGEDMO C=CCCC(=O)N[C@H](C)C[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC001275521097 808943658 /nfs/dbraw/zinc/94/36/58/808943658.db2.gz MOOIVCQXZLUUMH-MRXNPFEDSA-N 1 1 288.435 3.206 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)c1ccsc1 ZINC001275647397 808954277 /nfs/dbraw/zinc/95/42/77/808954277.db2.gz AMOLOFRDDLWWOI-KGLIPLIRSA-N 1 1 294.464 3.254 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)c1cccn1C(C)C ZINC001275720630 808959531 /nfs/dbraw/zinc/95/95/31/808959531.db2.gz KJUGDWCBGHXAQQ-OAHLLOKOSA-N 1 1 291.439 3.085 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)c1coc2ccccc12 ZINC001275739045 808961555 /nfs/dbraw/zinc/96/15/55/808961555.db2.gz TXKIZRPBUHMZQE-ZDUSSCGKSA-N 1 1 286.375 3.059 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H](C)[N@@H+](C)CCC(C)(C)C ZINC001275842874 808971287 /nfs/dbraw/zinc/97/12/87/808971287.db2.gz CVDKKWUMUGKAKL-CQSZACIVSA-N 1 1 282.472 3.461 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)CCc1ccsc1 ZINC001275849876 808971501 /nfs/dbraw/zinc/97/15/01/808971501.db2.gz JADKUPXVNIGCJS-AWEZNQCLSA-N 1 1 294.464 3.083 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](F)CC1CCCCC1 ZINC001275976340 808980553 /nfs/dbraw/zinc/98/05/53/808980553.db2.gz CCZFCBRPYKSRPI-HOCLYGCPSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)c1ccc(C)cc1 ZINC001275985537 808981908 /nfs/dbraw/zinc/98/19/08/808981908.db2.gz CUXMOUZMTVAHDM-OAHLLOKOSA-N 1 1 274.408 3.011 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]1CNC(=O)c1ccco1 ZINC001276772544 809029008 /nfs/dbraw/zinc/02/90/08/809029008.db2.gz PGVJHDNXGREMFG-AWEZNQCLSA-N 1 1 278.396 3.054 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CC(=C)C)C[C@@H]2C1 ZINC001276829335 809036254 /nfs/dbraw/zinc/03/62/54/809036254.db2.gz GRSBOAXYNLXXNI-YESZJQIVSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCCCCCC[N@@H+]1C[C@H]2C[C@@]2(C(=O)NC(C)(C)C)C1 ZINC001277152257 809060168 /nfs/dbraw/zinc/06/01/68/809060168.db2.gz KTPRCECSIFITNW-CRAIPNDOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)CCCCC)C2)C1 ZINC001277502664 809077580 /nfs/dbraw/zinc/07/75/80/809077580.db2.gz RQCOQEHRANMNRK-KRWDZBQOSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)C(CC)CC)C2)C1 ZINC001277526171 809078621 /nfs/dbraw/zinc/07/86/21/809078621.db2.gz YGFKDWKAYFDBHC-MAUKXSAKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N(C)C1C[NH+](CCCCCC)C1 ZINC001277651932 809086860 /nfs/dbraw/zinc/08/68/60/809086860.db2.gz KYFWOZDKPVJZAS-KRWDZBQOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[NH+]1CC(N(C)C(=O)[C@H](C)[C@@H](C)C(C)(C)C)C1 ZINC001277671586 809087434 /nfs/dbraw/zinc/08/74/34/809087434.db2.gz XSPPAJCNGNGBHF-ZIAGYGMSSA-N 1 1 280.456 3.023 20 30 CGEDMO N#CCCCN1CCC[C@@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001277943539 809107518 /nfs/dbraw/zinc/10/75/18/809107518.db2.gz YCDZUUKUWMOOOM-GOSISDBHSA-N 1 1 289.467 3.411 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)CCC=C ZINC001278303435 809125370 /nfs/dbraw/zinc/12/53/70/809125370.db2.gz QLRIUHAGQMBDFS-ZACQAIPSSA-N 1 1 290.451 3.373 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@](C)(NC(=O)CC(C)C)C1 ZINC001278356712 809126974 /nfs/dbraw/zinc/12/69/74/809126974.db2.gz MCROHYSLDCTSOM-KRWDZBQOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)c2ccsc2)C1 ZINC001278355826 809127050 /nfs/dbraw/zinc/12/70/50/809127050.db2.gz DQCPDDIRZAQSQC-CZUORRHYSA-N 1 1 292.448 3.297 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccsc2)[C@@H]1C ZINC001278492351 809137262 /nfs/dbraw/zinc/13/72/62/809137262.db2.gz DFMFTCDYVKYLIN-DZGCQCFKSA-N 1 1 292.448 3.297 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1CCC[N@H+](CCCCCC)[C@@H]1C ZINC001278505858 809138783 /nfs/dbraw/zinc/13/87/83/809138783.db2.gz LRNFWXXMTUNWFE-IAGOWNOFSA-N 1 1 292.467 3.339 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@]1(C)CCC[N@@H+](CC2CC2)C1 ZINC001278673475 809150715 /nfs/dbraw/zinc/15/07/15/809150715.db2.gz SOUFPTFDNKPMAR-GOSISDBHSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001278679019 809151741 /nfs/dbraw/zinc/15/17/41/809151741.db2.gz YNVKPGOGOFLDIP-NUJGCVRESA-N 1 1 292.467 3.217 20 30 CGEDMO Cc1cncc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)c1 ZINC001174754834 809153618 /nfs/dbraw/zinc/15/36/18/809153618.db2.gz ABHWUHTYUSYPBS-UHFFFAOYSA-N 1 1 284.388 3.055 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)c1sccc1C)C(C)C ZINC001278889120 809154025 /nfs/dbraw/zinc/15/40/25/809154025.db2.gz LTVLOXJVLJBRLL-UHFFFAOYSA-N 1 1 294.464 3.415 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)CCN(C(=O)C(C)(F)F)C(C)C ZINC001278888994 809154194 /nfs/dbraw/zinc/15/41/94/809154194.db2.gz JELAGGRQUPXSMW-CYBMUJFWSA-N 1 1 290.398 3.165 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C(=O)[C@H]1C[C@H]1C(C)C)C(C)C ZINC001278926173 809156895 /nfs/dbraw/zinc/15/68/95/809156895.db2.gz BVGKACMJRNNTDX-IRXDYDNUSA-N 1 1 294.483 3.414 20 30 CGEDMO CC1(C)CC[C@H](CO)[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001174819288 809170717 /nfs/dbraw/zinc/17/07/17/809170717.db2.gz YDSUWOXMWHNITP-MRXNPFEDSA-N 1 1 291.822 3.174 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC(C)(C)C ZINC001279539482 809173163 /nfs/dbraw/zinc/17/31/63/809173163.db2.gz CMWWPWQYJFAFPY-HZPDHXFCSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC1CCC1 ZINC001279552742 809174236 /nfs/dbraw/zinc/17/42/36/809174236.db2.gz DMICAEMYHZBIEE-SJORKVTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC(=C)C ZINC001279564452 809174687 /nfs/dbraw/zinc/17/46/87/809174687.db2.gz DZKWFKQMFASEKJ-JKSUJKDBSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)C2(CCCC)CC2)CC1 ZINC001279628458 809177523 /nfs/dbraw/zinc/17/75/23/809177523.db2.gz KBDYKPKTYMFMMV-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CCCC(=O)N(C)CCC[N@@H+](C)CC1=CCCCC1 ZINC001280794851 809200621 /nfs/dbraw/zinc/20/06/21/809200621.db2.gz XSNSYINMPFASGB-UHFFFAOYSA-N 1 1 278.440 3.233 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@H+](CC)C1 ZINC001280888905 809204441 /nfs/dbraw/zinc/20/44/41/809204441.db2.gz DOGMPJNHDGJHMD-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)[C@H](C)CCC)cc2C1 ZINC001281292382 809208140 /nfs/dbraw/zinc/20/81/40/809208140.db2.gz CYIAYMJYBIMEQM-CQSZACIVSA-N 1 1 286.419 3.241 20 30 CGEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@H](C)CCC)cc2C1 ZINC001281292382 809208144 /nfs/dbraw/zinc/20/81/44/809208144.db2.gz CYIAYMJYBIMEQM-CQSZACIVSA-N 1 1 286.419 3.241 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@H+](CC[C@@H](C)F)CC1(C)C ZINC001281556819 809214541 /nfs/dbraw/zinc/21/45/41/809214541.db2.gz MPUVVTXQHZWNEX-CABCVRRESA-N 1 1 298.446 3.308 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCCCC)C[C@@H]1C ZINC001281653698 809216798 /nfs/dbraw/zinc/21/67/98/809216798.db2.gz UMIFQWWSYKOPDR-UONOGXRCSA-N 1 1 286.847 3.288 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCCCC)C[C@@H]1C ZINC001281653698 809216802 /nfs/dbraw/zinc/21/68/02/809216802.db2.gz UMIFQWWSYKOPDR-UONOGXRCSA-N 1 1 286.847 3.288 20 30 CGEDMO CC#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)CC(C)C)C[C@@H]1C ZINC001281684735 809217715 /nfs/dbraw/zinc/21/77/15/809217715.db2.gz KFPDUSHCWOAAGC-HOTGVXAUSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](C/C=C\Cl)[C@H](C)C1 ZINC001281677951 809218030 /nfs/dbraw/zinc/21/80/30/809218030.db2.gz XULAQUMMWWAUOK-MVUUYHCISA-N 1 1 298.858 3.310 20 30 CGEDMO C=CC[N@H+](CC)CC1CCN(C(=O)[C@@]2(C)C=CCC2)CC1 ZINC001281833366 809221313 /nfs/dbraw/zinc/22/13/13/809221313.db2.gz JXCXAVQDZBVZGF-SFHVURJKSA-N 1 1 290.451 3.089 20 30 CGEDMO C#CCCCCC(=O)N1CCC[C@H]1C[N@H+](C)C[C@@H](C)CC ZINC001281927620 809223175 /nfs/dbraw/zinc/22/31/75/809223175.db2.gz AFJHXBDJKRHPLN-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)/C=C(\C)C1CC1 ZINC001281918014 809223288 /nfs/dbraw/zinc/22/32/88/809223288.db2.gz YPCRIEBAZBZOGS-RZXPCSSPSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)/C=C(\C)C1CC1 ZINC001281918014 809223292 /nfs/dbraw/zinc/22/32/92/809223292.db2.gz YPCRIEBAZBZOGS-RZXPCSSPSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]1C[N@@H+](C)CCC1CC1 ZINC001281956588 809225467 /nfs/dbraw/zinc/22/54/67/809225467.db2.gz HUSCGUIOMJFHSU-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C(C)=C1CCC1 ZINC001282665587 809257699 /nfs/dbraw/zinc/25/76/99/809257699.db2.gz GPEBCQATVFYZBJ-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@]1(C)CC=CCC1 ZINC001282666165 809258508 /nfs/dbraw/zinc/25/85/08/809258508.db2.gz JIWFZOWVQAIJBB-WMZOPIPTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C=C(CC)CC)C[C@@H]2C1 ZINC001282944740 809266136 /nfs/dbraw/zinc/26/61/36/809266136.db2.gz BJKUKJYDHNIIOE-BBWFWOEESA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC([N@H+](C)CC(C)C)CC1 ZINC001283310962 809275115 /nfs/dbraw/zinc/27/51/15/809275115.db2.gz PLZCYIMFSPATLH-UHFFFAOYSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](CC=C(C)C)[C@H]1C ZINC001284128892 809298305 /nfs/dbraw/zinc/29/83/05/809298305.db2.gz DXQPKYYTMWSDSX-GJZGRUSLSA-N 1 1 278.440 3.134 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C(=O)[C@@H]1C[C@H]1C1CC1)C(C)C ZINC001284553510 809309882 /nfs/dbraw/zinc/30/98/82/809309882.db2.gz NXIRAJNSUJMYHS-DLBZAZTESA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@]2(C(=O)OC)CCC[C@@H]12 ZINC001175965394 809584396 /nfs/dbraw/zinc/58/43/96/809584396.db2.gz GESKNKNNULQMIB-ZBFHGGJFSA-N 1 1 265.397 3.150 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1CCCCC1(C)OCCO1 ZINC001176770983 809759711 /nfs/dbraw/zinc/75/97/11/809759711.db2.gz CITWMZJXSHDURT-OAHLLOKOSA-N 1 1 267.413 3.350 20 30 CGEDMO C[C@@]1(C#N)CCC[N@H+](CC2(c3ccc4c(c3)OCO4)CC2)C1 ZINC001180305388 809991018 /nfs/dbraw/zinc/99/10/18/809991018.db2.gz LTNXEYQSHPIMRV-KRWDZBQOSA-N 1 1 298.386 3.073 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](CC2(c3ccc4c(c3)OCO4)CC2)C1 ZINC001180305388 809991022 /nfs/dbraw/zinc/99/10/22/809991022.db2.gz LTNXEYQSHPIMRV-KRWDZBQOSA-N 1 1 298.386 3.073 20 30 CGEDMO CCCCCCC[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC001181133750 810039990 /nfs/dbraw/zinc/03/99/90/810039990.db2.gz ZNDXNIWXWCVYKC-CABCVRRESA-N 1 1 268.445 3.051 20 30 CGEDMO CC[N@@H+]1CCCC[C@H]1C(=O)Nc1c(C#N)oc2ccccc21 ZINC001181993578 810088789 /nfs/dbraw/zinc/08/87/89/810088789.db2.gz MOMZUIDLYKBTHJ-ZDUSSCGKSA-N 1 1 297.358 3.117 20 30 CGEDMO CC[N@H+]1CCCC[C@H]1C(=O)Nc1c(C#N)oc2ccccc21 ZINC001181993578 810088791 /nfs/dbraw/zinc/08/87/91/810088791.db2.gz MOMZUIDLYKBTHJ-ZDUSSCGKSA-N 1 1 297.358 3.117 20 30 CGEDMO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)CCO1 ZINC001184374334 810196772 /nfs/dbraw/zinc/19/67/72/810196772.db2.gz MQLPACAMBHYSKI-INIZCTEOSA-N 1 1 290.382 3.334 20 30 CGEDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)CCO1 ZINC001184374334 810196773 /nfs/dbraw/zinc/19/67/73/810196773.db2.gz MQLPACAMBHYSKI-INIZCTEOSA-N 1 1 290.382 3.334 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)CCC)[C@@H]2C1 ZINC001187261825 810392048 /nfs/dbraw/zinc/39/20/48/810392048.db2.gz HBFJMSJBYGRGFD-YESZJQIVSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CC2CCCC2)C1 ZINC001188703511 810505572 /nfs/dbraw/zinc/50/55/72/810505572.db2.gz YTZWQVDHCPYSMP-NVXWUHKLSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)CCSC)C1 ZINC001188802699 810515808 /nfs/dbraw/zinc/51/58/08/810515808.db2.gz CEKLOSAOFBNEBK-OAHLLOKOSA-N 1 1 298.496 3.019 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)CC(=C)C)[C@@H]2C1 ZINC001188909041 810523353 /nfs/dbraw/zinc/52/33/53/810523353.db2.gz MUNFAHAAJCLULR-IXDOHACOSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)CCCC)C1 ZINC001188936081 810524777 /nfs/dbraw/zinc/52/47/77/810524777.db2.gz YNBCIQMJRCPIGW-GJZGRUSLSA-N 1 1 266.429 3.064 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]([N@H+](C)CCCCCCC)C1 ZINC001189317661 810557406 /nfs/dbraw/zinc/55/74/06/810557406.db2.gz AIKHMBKRCNFXSE-INIZCTEOSA-N 1 1 280.456 3.456 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CCC2CC2)C1 ZINC001189450169 810571175 /nfs/dbraw/zinc/57/11/75/810571175.db2.gz ORODUYWDEJUEJQ-GDBMZVCRSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CC2CCC2)C1 ZINC001189526029 810574944 /nfs/dbraw/zinc/57/49/44/810574944.db2.gz HAFVWAUJGLEYMS-GDBMZVCRSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)c2cscc2C)C1 ZINC001189564602 810578592 /nfs/dbraw/zinc/57/85/92/810578592.db2.gz DYTINMUCWUWKDR-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C(C)=C2CCCC2)C1 ZINC001189611966 810582126 /nfs/dbraw/zinc/58/21/26/810582126.db2.gz YWCGUIFPAMVHJM-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)c2cc(C)c(C)o2)C1 ZINC001189652115 810583996 /nfs/dbraw/zinc/58/39/96/810583996.db2.gz NTGBXNXKBSUZEN-HNNXBMFYSA-N 1 1 290.407 3.009 20 30 CGEDMO C#CCCCCC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)CCC=C)C1 ZINC001189744353 810587228 /nfs/dbraw/zinc/58/72/28/810587228.db2.gz QKJRXHANQHSQRK-IAGOWNOFSA-N 1 1 290.451 3.067 20 30 CGEDMO C#CCCCCC(=O)N1CC[C@@H]([N@H+](C)CC/C=C/CC)C1 ZINC001189744554 810588808 /nfs/dbraw/zinc/58/88/08/810588808.db2.gz VHGSFEWBMYBXCB-UGAXZCSASA-N 1 1 290.451 3.069 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001190307178 810618555 /nfs/dbraw/zinc/61/85/55/810618555.db2.gz HQGJKBTWAKSTQN-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@]2(C)CC=CCC2)C1 ZINC001190336643 810619822 /nfs/dbraw/zinc/61/98/22/810619822.db2.gz IXQVYIJCBPJNIH-SJLPKXTDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[C@@H]([N@H+](C)C[C@@H](F)CC)C1 ZINC001190354822 810621719 /nfs/dbraw/zinc/62/17/19/810621719.db2.gz QQTVIDWNPBBOMA-JKSUJKDBSA-N 1 1 296.430 3.036 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[C@@H]([N@H+](C)C[C@@H](C)CC)C1 ZINC001190353930 810622001 /nfs/dbraw/zinc/62/20/01/810622001.db2.gz DWGHKIPGHIKMQD-DOTOQJQBSA-N 1 1 292.467 3.334 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)CCCC)C1 ZINC001190354669 810622206 /nfs/dbraw/zinc/62/22/06/810622206.db2.gz NJUQCXSHJWUQTK-ZDUSSCGKSA-N 1 1 286.847 3.098 20 30 CGEDMO C#CCOCC[N@@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC001190510269 810631304 /nfs/dbraw/zinc/63/13/04/810631304.db2.gz KZTRVPJANXCIRV-UHFFFAOYSA-N 1 1 279.383 3.454 20 30 CGEDMO C=CCC1(S(=O)(=O)Nc2cc[nH+]c(C(C)(C)C)c2)CC1 ZINC001190772735 810647210 /nfs/dbraw/zinc/64/72/10/810647210.db2.gz KIRNIAKHAVIKNQ-UHFFFAOYSA-N 1 1 294.420 3.230 20 30 CGEDMO CCCCCCCCNC(=O)N1CC[C@H]([N@@H+](C)C2CC2)C1 ZINC001191068269 810669722 /nfs/dbraw/zinc/66/97/22/810669722.db2.gz KESZLMRYDSTVOJ-INIZCTEOSA-N 1 1 295.471 3.225 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC001191508637 810722231 /nfs/dbraw/zinc/72/22/31/810722231.db2.gz DMZCENQCXGVSAX-UONOGXRCSA-N 1 1 267.413 3.395 20 30 CGEDMO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1CC1(CC#N)CC1 ZINC001191529921 810723853 /nfs/dbraw/zinc/72/38/53/810723853.db2.gz HETLNMZXWGYGRC-MRXNPFEDSA-N 1 1 283.419 3.411 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)CCCCCF)C1 ZINC001191683809 810730463 /nfs/dbraw/zinc/73/04/63/810730463.db2.gz KTIFXNXCBFMFFF-HNNXBMFYSA-N 1 1 298.446 3.261 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)CCCCC)C1 ZINC001191684123 810730482 /nfs/dbraw/zinc/73/04/82/810730482.db2.gz OEBHMWLDHOFSDN-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C2CC3(CCC3)C2)C1 ZINC001191838988 810750221 /nfs/dbraw/zinc/75/02/21/810750221.db2.gz NCZRSTJRLCZFHJ-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC1(C(=O)N2CC[C@@H]([N@@H+](C)C/C=C\Cl)C2)CC1 ZINC001192217208 810777484 /nfs/dbraw/zinc/77/74/84/810777484.db2.gz DETQWUYBUNTSRH-XTXQVDMPSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@H]([N@H+](C)CC(=C)Cl)C2)CCC1 ZINC001192218549 810777577 /nfs/dbraw/zinc/77/75/77/810777577.db2.gz RXSGHXSPNQFWSY-AWEZNQCLSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@H]([N@@H+](C)CC(=C)Cl)C2)CCC1 ZINC001192218549 810777581 /nfs/dbraw/zinc/77/75/81/810777581.db2.gz RXSGHXSPNQFWSY-AWEZNQCLSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@@H]([N@@H+](C)CCC3CC3)C2)CCC1 ZINC001192226434 810778313 /nfs/dbraw/zinc/77/83/13/810778313.db2.gz IKNQWEDZYLAAFC-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C#CC[N@@H+](CC1CC1)C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC001192305630 810786550 /nfs/dbraw/zinc/78/65/50/810786550.db2.gz YNTVHFKGNCPDLR-ROUUACIJSA-N 1 1 269.388 3.252 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C2(CF)CCC2)C1 ZINC001192416577 810795247 /nfs/dbraw/zinc/79/52/47/810795247.db2.gz MVPDYOCVRQEHFF-LSDHHAIUSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)c2cc(Cl)cs2)C1 ZINC001192680564 810814416 /nfs/dbraw/zinc/81/44/16/810814416.db2.gz SVXISIDNCLNXNB-GFCCVEGCSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)CC2(C=C)CCCCC2)C1 ZINC001192818774 810822691 /nfs/dbraw/zinc/82/26/91/810822691.db2.gz RNLRHVUOJUJGHW-MRXNPFEDSA-N 1 1 290.451 3.232 20 30 CGEDMO C#CCOCC[N@H+](C)C[C@@H](C)CSc1ccccc1C ZINC001193022107 810842580 /nfs/dbraw/zinc/84/25/80/810842580.db2.gz OJUBCQCJFVYOEM-OAHLLOKOSA-N 1 1 291.460 3.305 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)CC(C)C)C1 ZINC001193100056 810857058 /nfs/dbraw/zinc/85/70/58/810857058.db2.gz SGQYPYXHAUHASC-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C2(CC)CCCC2)C1 ZINC001193170067 810862876 /nfs/dbraw/zinc/86/28/76/810862876.db2.gz JYBXRUMARSJXMD-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC001193363161 810878943 /nfs/dbraw/zinc/87/89/43/810878943.db2.gz AGZIBSLASATUHR-UHFFFAOYSA-N 1 1 271.282 3.255 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)c2cc3ccccc3o2)C1 ZINC001193837233 810965290 /nfs/dbraw/zinc/96/52/90/810965290.db2.gz UVQFKQKDXXASNW-HNNXBMFYSA-N 1 1 298.386 3.155 20 30 CGEDMO CCCCCCCOC(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001194005637 811000313 /nfs/dbraw/zinc/00/03/13/811000313.db2.gz WNQIXAVIEHPGMA-OAHLLOKOSA-N 1 1 282.428 3.264 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@H]([N@H+](C)CC)C2)CCCCC1 ZINC001194191840 811031831 /nfs/dbraw/zinc/03/18/31/811031831.db2.gz PCPQYVAUJAENEG-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO CCCCCCC[N@H+]1CCCN(C(=O)CC2CC2)CC1 ZINC001194629658 811098083 /nfs/dbraw/zinc/09/80/83/811098083.db2.gz PWWFWRKSCSFFSF-UHFFFAOYSA-N 1 1 280.456 3.291 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC001194755001 811125355 /nfs/dbraw/zinc/12/53/55/811125355.db2.gz MLGQYGUEBJPZLR-LSDHHAIUSA-N 1 1 274.383 3.138 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@H]2CC=CCC2)CC1 ZINC001194803032 811139156 /nfs/dbraw/zinc/13/91/56/811139156.db2.gz XSXCZPLRUMRJKT-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO CCCCCCCCCOC(=O)N1CC2(C1)C[NH+](C)C2 ZINC001194914309 811169730 /nfs/dbraw/zinc/16/97/30/811169730.db2.gz VWKKMEZPVXDTPO-UHFFFAOYSA-N 1 1 282.428 3.121 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)C[C@@H](C)C(C)C)CC1 ZINC001195245851 811231084 /nfs/dbraw/zinc/23/10/84/811231084.db2.gz PRFZKSILACPYGB-MRXNPFEDSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)/C=C\C(C)(C)C)CC1 ZINC001195356610 811247427 /nfs/dbraw/zinc/24/74/27/811247427.db2.gz UKJQUELOJUISER-BLIJAFNYSA-N 1 1 292.467 3.478 20 30 CGEDMO CC#CC[N@H+]1CCCN(C(=O)CCC[C@H](C)CCC)CC1 ZINC001195982369 811308734 /nfs/dbraw/zinc/30/87/34/811308734.db2.gz SPUOYTMTVZLYSG-QGZVFWFLSA-N 1 1 292.467 3.151 20 30 CGEDMO CC#CC[N@@H+]1CCCN(C(=O)CCC[C@H](C)CCC)CC1 ZINC001195982369 811308740 /nfs/dbraw/zinc/30/87/40/811308740.db2.gz SPUOYTMTVZLYSG-QGZVFWFLSA-N 1 1 292.467 3.151 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C2(CCF)CC2)CC1 ZINC001196626955 811356165 /nfs/dbraw/zinc/35/61/65/811356165.db2.gz MNPCIJBPKSQDDR-HNNXBMFYSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@@]2(C)C=CCC2)CC1 ZINC001196781871 811366057 /nfs/dbraw/zinc/36/60/57/811366057.db2.gz BOLOXBDAWGVMGH-AEFFLSMTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)C2(CC)CCC2)CC1 ZINC001196813466 811370965 /nfs/dbraw/zinc/37/09/65/811370965.db2.gz FZEDQBQGADEDNK-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@H]2CCC2(C)C)CC1 ZINC001196823390 811371366 /nfs/dbraw/zinc/37/13/66/811371366.db2.gz JHGWFRUMCXQWIL-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@H+](CC(CC)CC)CC1 ZINC001196828697 811372811 /nfs/dbraw/zinc/37/28/11/811372811.db2.gz ANPSSQVMUKYNPG-JKSUJKDBSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)CCCC#CC)CC1 ZINC001196846938 811372940 /nfs/dbraw/zinc/37/29/40/811372940.db2.gz REQZJLHIRFYCSH-QGZVFWFLSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001196842307 811373942 /nfs/dbraw/zinc/37/39/42/811373942.db2.gz RPVFOVPXRVBQKS-AWEZNQCLSA-N 1 1 282.428 3.332 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C[C@@H](C=C)CC)CC1 ZINC001196890802 811380110 /nfs/dbraw/zinc/38/01/10/811380110.db2.gz XBVORCGSDDDEAK-IRXDYDNUSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2C)CC1 ZINC001196942740 811386594 /nfs/dbraw/zinc/38/65/94/811386594.db2.gz ILCQARMVSSLYGU-DLBZAZTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCCC(=O)N1CCC[N@@H+](CCC2CCCC2)CC1 ZINC001197000554 811388662 /nfs/dbraw/zinc/38/86/62/811388662.db2.gz UAEPNDMSFDYFRA-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCCC1(C(=O)N2CCC[N@@H+](C[C@@H](F)CC)CC2)CC1 ZINC001197061494 811394193 /nfs/dbraw/zinc/39/41/93/811394193.db2.gz CKUNZRDADSKMGN-HNNXBMFYSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCCC1(C(=O)N2CCC[N@H+](C[C@@H](F)CC)CC2)CC1 ZINC001197061494 811394199 /nfs/dbraw/zinc/39/41/99/811394199.db2.gz CKUNZRDADSKMGN-HNNXBMFYSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@]2(C)CCC[C@@H]2C)CC1 ZINC001197061668 811394881 /nfs/dbraw/zinc/39/48/81/811394881.db2.gz FHQANGBSGXBQDD-FUHWJXTLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@H+]1CCCN(C(=O)C2CCC(=C)CC2)CC1 ZINC001197055156 811395526 /nfs/dbraw/zinc/39/55/26/811395526.db2.gz KEQJJPSSROKFLO-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CC[N@H+]1CCCN(C(=O)CC/C=C/c2ccccc2)CC1 ZINC001197158946 811402388 /nfs/dbraw/zinc/40/23/88/811402388.db2.gz ZDYQPGURWICYKQ-IZZDOVSWSA-N 1 1 298.430 3.200 20 30 CGEDMO C#CC[N@@H+](CC(=O)NCCCC1CCCCC1)C(C)(C)C ZINC001197937294 811466370 /nfs/dbraw/zinc/46/63/70/811466370.db2.gz KYTMRMNKNDUWBZ-UHFFFAOYSA-N 1 1 292.467 3.197 20 30 CGEDMO C[C@]12C[N@@H+](Cc3ccc(C#N)s3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001198251118 811487605 /nfs/dbraw/zinc/48/76/05/811487605.db2.gz FZMMAHBXWKXZML-SHUKQUCYSA-N 1 1 272.417 3.488 20 30 CGEDMO CSCCC[N@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001201692169 811938052 /nfs/dbraw/zinc/93/80/52/811938052.db2.gz JOUCAECIPHDCQX-MRXNPFEDSA-N 1 1 290.432 3.155 20 30 CGEDMO CCCC[N@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001201715489 811944685 /nfs/dbraw/zinc/94/46/85/811944685.db2.gz XQIIUHBIFGGWBQ-MRXNPFEDSA-N 1 1 258.365 3.202 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H](C(=O)OC)[C@@H]1C ZINC001201787762 811964552 /nfs/dbraw/zinc/96/45/52/811964552.db2.gz LBUHJBAASMSORR-UONOGXRCSA-N 1 1 255.402 3.230 20 30 CGEDMO CCCCCCCC[N@H+]1CCCC[C@]12CC(=O)N(C)C2 ZINC001201814366 811968296 /nfs/dbraw/zinc/96/82/96/811968296.db2.gz OJLVJKRNLGITHC-QGZVFWFLSA-N 1 1 280.456 3.434 20 30 CGEDMO CCCCCCCC[N@H+]1CCS[C@@H](C(=O)OCC)C1 ZINC001201839781 811970278 /nfs/dbraw/zinc/97/02/78/811970278.db2.gz JCXGTYOPCUGYLB-CQSZACIVSA-N 1 1 287.469 3.327 20 30 CGEDMO CCCCCCCCC[N@@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC001201846810 811970679 /nfs/dbraw/zinc/97/06/79/811970679.db2.gz MCVFMCCENSSUHU-FICVDOATSA-N 1 1 267.413 3.088 20 30 CGEDMO CCCCCCCCC[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC001201845900 811971613 /nfs/dbraw/zinc/97/16/13/811971613.db2.gz ABMVDPZRFXCHKP-MRXNPFEDSA-N 1 1 282.428 3.311 20 30 CGEDMO CCCCCCCCC[N@H+]1CCC[C@H](NC(=O)NC)C1 ZINC001201852961 811972587 /nfs/dbraw/zinc/97/25/87/811972587.db2.gz VAKSOOYJEIMBGH-HNNXBMFYSA-N 1 1 283.460 3.130 20 30 CGEDMO CCCCCCCCC[N@@H+]1CCO[C@@H](C(C)=O)C1 ZINC001201852906 811972758 /nfs/dbraw/zinc/97/27/58/811972758.db2.gz RFKHJMBOAPDXSO-OAHLLOKOSA-N 1 1 255.402 3.027 20 30 CGEDMO CCCCCCCCC[N@H+]1CCO[C@@H](C(C)=O)C1 ZINC001201852906 811972760 /nfs/dbraw/zinc/97/27/60/811972760.db2.gz RFKHJMBOAPDXSO-OAHLLOKOSA-N 1 1 255.402 3.027 20 30 CGEDMO CCC1(C[N@H+](CCC#N)Cc2ccc(Cl)cc2)COC1 ZINC001202962984 812209653 /nfs/dbraw/zinc/20/96/53/812209653.db2.gz SIEXGYJZPKVMHW-UHFFFAOYSA-N 1 1 292.810 3.482 20 30 CGEDMO CCC1(C[N@@H+](CCC#N)Cc2ccc(Cl)cc2)COC1 ZINC001202962984 812209657 /nfs/dbraw/zinc/20/96/57/812209657.db2.gz SIEXGYJZPKVMHW-UHFFFAOYSA-N 1 1 292.810 3.482 20 30 CGEDMO C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1ccccc1)C2 ZINC001203306052 812304523 /nfs/dbraw/zinc/30/45/23/812304523.db2.gz BYBCCPXBZKCSAW-IBGZPJMESA-N 1 1 298.430 3.220 20 30 CGEDMO C=CC[N@H+](Cc1c(OC)cc(OC)cc1OC)C(C)(C)C ZINC001203515918 812378867 /nfs/dbraw/zinc/37/88/67/812378867.db2.gz GTJMHGUADWRHAQ-UHFFFAOYSA-N 1 1 293.407 3.499 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](C(F)F)C2)c1 ZINC001203762216 812458399 /nfs/dbraw/zinc/45/83/99/812458399.db2.gz AQSDFJANYUCUCL-CYBMUJFWSA-N 1 1 250.292 3.035 20 30 CGEDMO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1F ZINC001203791640 812462602 /nfs/dbraw/zinc/46/26/02/812462602.db2.gz DBHBVDPCQPCAGV-ZSOGYDGISA-N 1 1 274.339 3.101 20 30 CGEDMO COc1cccc(C[N@H+](CCC#N)C2CCCC2)c1 ZINC001203822114 812469813 /nfs/dbraw/zinc/46/98/13/812469813.db2.gz FOSSYBGJKQKYAY-UHFFFAOYSA-N 1 1 258.365 3.353 20 30 CGEDMO COc1cccc(C[N@@H+](CCC#N)C2CCCC2)c1 ZINC001203822114 812469819 /nfs/dbraw/zinc/46/98/19/812469819.db2.gz FOSSYBGJKQKYAY-UHFFFAOYSA-N 1 1 258.365 3.353 20 30 CGEDMO N#Cc1ccc(C[N@@H+](C2CCC2)C2CCOCC2)cc1 ZINC001203907080 812487910 /nfs/dbraw/zinc/48/79/10/812487910.db2.gz IJDFZVOJQRFDJT-UHFFFAOYSA-N 1 1 270.376 3.092 20 30 CGEDMO SC1CC[NH+](Cc2cc(Br)cs2)CC1 ZINC001204027257 812524702 /nfs/dbraw/zinc/52/47/02/812524702.db2.gz TWVNQRNRVLHBAF-UHFFFAOYSA-N 1 1 292.267 3.405 20 30 CGEDMO N#Cc1ccc(O[C@H]2CCC[N@@H+](Cc3ccoc3)C2)cc1 ZINC001204244472 812585667 /nfs/dbraw/zinc/58/56/67/812585667.db2.gz HLCYPOFBRWGTMP-KRWDZBQOSA-N 1 1 282.343 3.195 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCC(=O)[C@@H](C)CC2)cc1 ZINC001204297138 812603339 /nfs/dbraw/zinc/60/33/39/812603339.db2.gz CJRBXBUHCPFCOZ-AWEZNQCLSA-N 1 1 273.376 3.052 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC(=O)[C@@H](C)CC2)cc1 ZINC001204297138 812603343 /nfs/dbraw/zinc/60/33/43/812603343.db2.gz CJRBXBUHCPFCOZ-AWEZNQCLSA-N 1 1 273.376 3.052 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@](C)(O)CC2)cc1 ZINC001204298309 812604279 /nfs/dbraw/zinc/60/42/79/812604279.db2.gz ZTACCBKIUDFHHT-MAUKXSAKSA-N 1 1 289.419 3.234 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@H](C(F)F)C1 ZINC001204371184 812622399 /nfs/dbraw/zinc/62/23/99/812622399.db2.gz GBPRPQKLYRSPEM-CYBMUJFWSA-N 1 1 250.292 3.035 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](C(F)F)C1 ZINC001204371184 812622403 /nfs/dbraw/zinc/62/24/03/812622403.db2.gz GBPRPQKLYRSPEM-CYBMUJFWSA-N 1 1 250.292 3.035 20 30 CGEDMO N#Cc1ccc2c(c1)CC[N@H+](Cc1ccc3c(c1)CCO3)C2 ZINC001204487149 812653434 /nfs/dbraw/zinc/65/34/34/812653434.db2.gz AITPYZXQIVVDTQ-UHFFFAOYSA-N 1 1 290.366 3.051 20 30 CGEDMO CC[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2N(C)C)[C@@H]1C ZINC001205472207 812990314 /nfs/dbraw/zinc/99/03/14/812990314.db2.gz XSQWYZNXSZLHED-UKRRQHHQSA-N 1 1 271.408 3.245 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H](C(F)F)C2)ccc1F ZINC001205493844 812990836 /nfs/dbraw/zinc/99/08/36/812990836.db2.gz VONNINYQYSMQJO-LLVKDONJSA-N 1 1 268.282 3.174 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H](C(F)F)C2)ccc1F ZINC001205493844 812990839 /nfs/dbraw/zinc/99/08/39/812990839.db2.gz VONNINYQYSMQJO-LLVKDONJSA-N 1 1 268.282 3.174 20 30 CGEDMO CC[N@@H+](Cc1ccc(F)c(C#N)c1)Cc1ccccc1O ZINC001205496886 812991208 /nfs/dbraw/zinc/99/12/08/812991208.db2.gz XKWZAODIIFGAII-UHFFFAOYSA-N 1 1 284.334 3.425 20 30 CGEDMO C=CCC[N@H+](Cc1cc(C)nn1C)Cc1ccccc1 ZINC001205910492 813128233 /nfs/dbraw/zinc/12/82/33/813128233.db2.gz CTAXPRUWBWIPEZ-UHFFFAOYSA-N 1 1 269.392 3.307 20 30 CGEDMO C[C@@]1(C[NH3+])CCCN(Cc2cccc(Cl)c2C#N)CC1 ZINC001206311348 813284465 /nfs/dbraw/zinc/28/44/65/813284465.db2.gz MWXSBHPDHPRBSS-MRXNPFEDSA-N 1 1 291.826 3.163 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)CC(C)C)C[C@H]1C ZINC001206537025 813343339 /nfs/dbraw/zinc/34/33/39/813343339.db2.gz IDXQBMNWRMHYJL-BZUAXINKSA-N 1 1 280.456 3.071 20 30 CGEDMO Cc1cc([NH+]2CCCCC2)ccc1Nc1ccnc(C#N)c1 ZINC001206633487 813380654 /nfs/dbraw/zinc/38/06/54/813380654.db2.gz MVSNLOJYYIHUFB-UHFFFAOYSA-N 1 1 292.386 3.418 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)/C=C\C(C)(C)C)C1 ZINC001206651187 813388240 /nfs/dbraw/zinc/38/82/40/813388240.db2.gz KXIXHTJQRPXCBY-JGDCGQPHSA-N 1 1 292.467 3.380 20 30 CGEDMO Cc1cccc(C#N)c1Nc1c[nH+]c(N(C)C)cc1C ZINC001206744025 813416809 /nfs/dbraw/zinc/41/68/09/813416809.db2.gz PDSBCBLSDWYCMS-UHFFFAOYSA-N 1 1 266.348 3.380 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC(C)(C)C2)C1 ZINC001206920116 813458340 /nfs/dbraw/zinc/45/83/40/813458340.db2.gz AZKFLBMPOIVZAP-IJEWVQPXSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)=C2CCC2)C1 ZINC001206939563 813460359 /nfs/dbraw/zinc/46/03/59/813460359.db2.gz LCTZSGZVIUGWKC-JKIFEVAISA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC(C)(C)C2CC2)C1 ZINC001206941264 813460939 /nfs/dbraw/zinc/46/09/39/813460939.db2.gz TVQYHFBFPWZAPH-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO CC[C@H]1c2ccccc2CC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC001207108447 813486952 /nfs/dbraw/zinc/48/69/52/813486952.db2.gz BGRHLUBAGGKWPJ-SFHVURJKSA-N 1 1 279.387 3.406 20 30 CGEDMO C=CC[N@H+](Cc1cc(C#N)n(C)c1)C1CCCCC1 ZINC001207110985 813487983 /nfs/dbraw/zinc/48/79/83/813487983.db2.gz YFMSDEGCJAWEOI-UHFFFAOYSA-N 1 1 257.381 3.217 20 30 CGEDMO N#C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001207192164 813511844 /nfs/dbraw/zinc/51/18/44/813511844.db2.gz PDWFQJUADPNVLD-WHOFXGATSA-N 1 1 260.768 3.289 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C ZINC001207215409 813516931 /nfs/dbraw/zinc/51/69/31/813516931.db2.gz IPJLIBIPATVYEL-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO CCCC[N@@H+](CCC#N)C[C@H]1CCOC(C)(C)C1 ZINC001207355776 813549102 /nfs/dbraw/zinc/54/91/02/813549102.db2.gz FSLUBCBJWMXVSO-AWEZNQCLSA-N 1 1 252.402 3.207 20 30 CGEDMO O=C1C=C2C[N@H+](CCCCc3ccccc3)CCC2S1 ZINC001207613012 813613770 /nfs/dbraw/zinc/61/37/70/813613770.db2.gz GHNOBSZQGZGTOT-MRXNPFEDSA-N 1 1 287.428 3.283 20 30 CGEDMO C=CCCCCCCCCC[N@H+]1CC[C@@H](O)[C@](C)(CO)C1 ZINC001207899218 813667540 /nfs/dbraw/zinc/66/75/40/813667540.db2.gz QBUGTFNIZASGTD-MSOLQXFVSA-N 1 1 297.483 3.358 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CCCN(C(C)=O)CC1 ZINC001208119920 813698431 /nfs/dbraw/zinc/69/84/31/813698431.db2.gz IYUHSENZSBMQMA-MDZDMXLPSA-N 1 1 280.456 3.457 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@](O)(CF)CC2)CC1 ZINC001208170241 813724621 /nfs/dbraw/zinc/72/46/21/813724621.db2.gz GJTXTQDFQZZSEV-IAGOWNOFSA-N 1 1 281.415 3.476 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CC(=O)NC3(CCCC3)C2)CC1 ZINC001208179219 813731087 /nfs/dbraw/zinc/73/10/87/813731087.db2.gz SGGJJZYOVNBSTF-MRXNPFEDSA-N 1 1 288.435 3.034 20 30 CGEDMO CN1CCC[C@H](C[NH+]2CCC(C#Cc3ccccc3)CC2)C1 ZINC001208618018 813776415 /nfs/dbraw/zinc/77/64/15/813776415.db2.gz QFTPBEXEDMQUMB-FQEVSTJZSA-N 1 1 296.458 3.092 20 30 CGEDMO N#Cc1cccc(O[C@@H]2CCC[N@@H+](CCC3CC3)C2)c1 ZINC001208688714 813796848 /nfs/dbraw/zinc/79/68/48/813796848.db2.gz SXIHMUBWFPMYPQ-QGZVFWFLSA-N 1 1 270.376 3.202 20 30 CGEDMO C[C@@]1(F)CCC[N@@H+](CCCc2cccc(C#N)c2)C1 ZINC001208844464 813864425 /nfs/dbraw/zinc/86/44/25/813864425.db2.gz IGIVYJHXNMUXDU-MRXNPFEDSA-N 1 1 260.356 3.315 20 30 CGEDMO C[N@@H+](CCCc1cccc(C#N)c1)C1CC(F)(F)C1 ZINC001208846312 813864489 /nfs/dbraw/zinc/86/44/89/813864489.db2.gz ZRMZBSHTFXYQDO-UHFFFAOYSA-N 1 1 264.319 3.220 20 30 CGEDMO N#Cc1cccc(CCC[N@@H+]2CCC[C@@H](CF)C2)c1 ZINC001208853518 813866946 /nfs/dbraw/zinc/86/69/46/813866946.db2.gz PAAWQGPYDJVTFP-INIZCTEOSA-N 1 1 260.356 3.172 20 30 CGEDMO N#Cc1ccc(CCC[N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)cc1 ZINC001208856378 813870215 /nfs/dbraw/zinc/87/02/15/813870215.db2.gz LYZJCLOCTMGKCZ-CVEARBPZSA-N 1 1 290.357 3.468 20 30 CGEDMO C[C@]1(F)CCC[N@@H+](CCCc2ccc(C#N)cc2)C1 ZINC001208857215 813870286 /nfs/dbraw/zinc/87/02/86/813870286.db2.gz XWVILNSFKROXNR-INIZCTEOSA-N 1 1 260.356 3.315 20 30 CGEDMO N#Cc1ccc(CCC[N@@H+]2CCC(F)(F)[C@@H](F)C2)cc1 ZINC001208856064 813870378 /nfs/dbraw/zinc/87/03/78/813870378.db2.gz KCZQRQBKUKSXRQ-AWEZNQCLSA-N 1 1 282.309 3.170 20 30 CGEDMO N#Cc1ccc(CCC[N@H+]2CCC(F)(F)[C@@H](F)C2)cc1 ZINC001208856064 813870385 /nfs/dbraw/zinc/87/03/85/813870385.db2.gz KCZQRQBKUKSXRQ-AWEZNQCLSA-N 1 1 282.309 3.170 20 30 CGEDMO C[N@@H+]1CC=C(Nc2cccc(C(C)(C)C#N)c2)CC1 ZINC001208859605 813871457 /nfs/dbraw/zinc/87/14/57/813871457.db2.gz WBCJEIVMTQOPEJ-UHFFFAOYSA-N 1 1 255.365 3.119 20 30 CGEDMO Cc1c(Cl)c(C#N)ccc1NC1=CC[N@@H+](C)CC1 ZINC001208910599 813897477 /nfs/dbraw/zinc/89/74/77/813897477.db2.gz PULHZSFSVXYUEI-UHFFFAOYSA-N 1 1 261.756 3.151 20 30 CGEDMO C[C@]1(F)CCCC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC001208920689 813900302 /nfs/dbraw/zinc/90/03/02/813900302.db2.gz MQWBKARMURUMKC-INIZCTEOSA-N 1 1 260.356 3.315 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCC[C@@H]2Cc2ccccn2)cc1 ZINC001208926058 813901182 /nfs/dbraw/zinc/90/11/82/813901182.db2.gz HAUZVAYBIBTESJ-LJQANCHMSA-N 1 1 291.398 3.203 20 30 CGEDMO COc1cccc(CC[N@@H+](C)CCc2ccc(C#N)cc2)c1 ZINC001208926022 813902237 /nfs/dbraw/zinc/90/22/37/813902237.db2.gz FDDLUFJWPANKLE-UHFFFAOYSA-N 1 1 294.398 3.284 20 30 CGEDMO C=CCN(C)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001208940520 813906725 /nfs/dbraw/zinc/90/67/25/813906725.db2.gz SVNMYJPPGDLADU-QGZVFWFLSA-N 1 1 258.409 3.016 20 30 CGEDMO C=CCN(C)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208940520 813906729 /nfs/dbraw/zinc/90/67/29/813906729.db2.gz SVNMYJPPGDLADU-QGZVFWFLSA-N 1 1 258.409 3.016 20 30 CGEDMO C=CC[N@@H+](C)C[C@H]1CCCN(Cc2ccccc2)C1 ZINC001208940520 813906736 /nfs/dbraw/zinc/90/67/36/813906736.db2.gz SVNMYJPPGDLADU-QGZVFWFLSA-N 1 1 258.409 3.016 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN(Cc2ccccc2)C1 ZINC001208940520 813906740 /nfs/dbraw/zinc/90/67/40/813906740.db2.gz SVNMYJPPGDLADU-QGZVFWFLSA-N 1 1 258.409 3.016 20 30 CGEDMO C#CC[N@H+](CC(C)(C)OCC)[C@@H]1CCc2ccccc21 ZINC001209073780 813925463 /nfs/dbraw/zinc/92/54/63/813925463.db2.gz ZPPVZGISFPQPMW-QGZVFWFLSA-N 1 1 271.404 3.424 20 30 CGEDMO C=CCCC[NH+]1C[C@@H]2CN(Cc3ccc(C)cc3)C[C@H]2C1 ZINC001209157449 813949729 /nfs/dbraw/zinc/94/97/29/813949729.db2.gz CHSDVTJPUPVXDP-RTBURBONSA-N 1 1 284.447 3.325 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@]2(C1)COCCN(C(C)C)C2 ZINC001209199838 813962700 /nfs/dbraw/zinc/96/27/00/813962700.db2.gz CDTAFNGOTOGBEU-GOSISDBHSA-N 1 1 294.483 3.166 20 30 CGEDMO C=CCCCC[N@@H+]1C[C@H]2CN(C(=O)c3ccccc3)C[C@H]2C1 ZINC001209199904 813962828 /nfs/dbraw/zinc/96/28/28/813962828.db2.gz DKHKOHSQOLURDL-HDICACEKSA-N 1 1 298.430 3.047 20 30 CGEDMO C=CCCCC[N@H+]1Cc2cnn(CC)c2[C@H](COCC)C1 ZINC001209200819 813964254 /nfs/dbraw/zinc/96/42/54/813964254.db2.gz PHJZWIBTTCLFFO-INIZCTEOSA-N 1 1 291.439 3.195 20 30 CGEDMO C=CCCCC[N@H+]1CCO[C@]2(CCC[C@H]2COCC=C)C1 ZINC001209204021 813966816 /nfs/dbraw/zinc/96/68/16/813966816.db2.gz XQBKRGNTWGNINJ-ZWKOTPCHSA-N 1 1 293.451 3.416 20 30 CGEDMO C#CCCC[N@@H+]1CC[C@H]2C[C@H](c3nc(C)cs3)O[C@@H]2C1 ZINC001209263552 813988156 /nfs/dbraw/zinc/98/81/56/813988156.db2.gz OBDPTWURTWFCEM-RRFJBIMHSA-N 1 1 290.432 3.017 20 30 CGEDMO C#CCCCN1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC001209268958 813988875 /nfs/dbraw/zinc/98/88/75/813988875.db2.gz BWNDZWDNOXZWMX-MTQWCTHYSA-N 1 1 298.474 3.295 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC001209268725 813989022 /nfs/dbraw/zinc/98/90/22/813989022.db2.gz PAGXQBOUIUKXJR-QGZVFWFLSA-N 1 1 294.439 3.027 20 30 CGEDMO COc1cc(Nc2ccc(C#N)cc2OC)[nH+]cc1C ZINC001209328325 813999943 /nfs/dbraw/zinc/99/99/43/813999943.db2.gz HBKSRSSMPATBRL-UHFFFAOYSA-N 1 1 269.304 3.023 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@H]2[C@@H](CCN2C(=O)C(C)C)C1 ZINC001209425005 814026589 /nfs/dbraw/zinc/02/65/89/814026589.db2.gz YMQAXJMXWBFYFX-IRXDYDNUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCCCC[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC001209431196 814031843 /nfs/dbraw/zinc/03/18/43/814031843.db2.gz IWRZDRLVPOUVON-UHFFFAOYSA-N 1 1 290.407 3.174 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](Oc2cccc(OC)n2)C1 ZINC001209432309 814033610 /nfs/dbraw/zinc/03/36/10/814033610.db2.gz CINAAJKVKYCENH-HNNXBMFYSA-N 1 1 290.407 3.290 20 30 CGEDMO C=CCCCCCC[N@@H+]1C[C@H](C(=O)OC)C2(CC2)C1 ZINC001209438640 814039260 /nfs/dbraw/zinc/03/92/60/814039260.db2.gz QGXXEMGZGIFNMW-CQSZACIVSA-N 1 1 265.397 3.008 20 30 CGEDMO C=CCCCCCCN1CC[NH+](CCCCOC)CC1 ZINC001209438951 814039986 /nfs/dbraw/zinc/03/99/86/814039986.db2.gz ZBXNCVSEFLKPLP-UHFFFAOYSA-N 1 1 282.472 3.167 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CCC2(CN(C)C2)C1 ZINC001209440805 814041470 /nfs/dbraw/zinc/04/14/70/814041470.db2.gz DNYJYTQTHFZBSG-UHFFFAOYSA-N 1 1 250.430 3.151 20 30 CGEDMO C=CCCCCCCC[N@H+](C)[C@H]1CCCN(C(C)=O)C1 ZINC001209440757 814041763 /nfs/dbraw/zinc/04/17/63/814041763.db2.gz BWTMIEGDFUSTKO-KRWDZBQOSA-N 1 1 280.456 3.456 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC001209442236 814042746 /nfs/dbraw/zinc/04/27/46/814042746.db2.gz CDZLVOIKGPGKCF-GJZGRUSLSA-N 1 1 257.393 3.308 20 30 CGEDMO C=CCCCCCCC[N@H+]1CCOC[C@@H]1CCC(=O)OC ZINC001209443142 814042931 /nfs/dbraw/zinc/04/29/31/814042931.db2.gz MRSTWFRFGIGWHE-INIZCTEOSA-N 1 1 297.439 3.167 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CCOC[C@@H]1CCC(=O)OC ZINC001209443142 814042939 /nfs/dbraw/zinc/04/29/39/814042939.db2.gz MRSTWFRFGIGWHE-INIZCTEOSA-N 1 1 297.439 3.167 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001209446458 814045195 /nfs/dbraw/zinc/04/51/95/814045195.db2.gz ZNRCQXAPQMWLDP-INIZCTEOSA-N 1 1 280.456 3.456 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2c[nH]c3c2cccc3C)C1 ZINC001209487294 814056723 /nfs/dbraw/zinc/05/67/23/814056723.db2.gz INAUSLYOWLYGHU-CQSZACIVSA-N 1 1 252.361 3.322 20 30 CGEDMO Cc1ccc2[nH]cc(C[N@@H+]3CC[C@@](C)(C#N)C3)c2c1 ZINC001209500344 814065033 /nfs/dbraw/zinc/06/50/33/814065033.db2.gz VIKIMOABCFTULT-INIZCTEOSA-N 1 1 253.349 3.212 20 30 CGEDMO Cc1ccc2[nH]cc(C[N@H+]3CC[C@@](C)(C#N)C3)c2c1 ZINC001209500344 814065040 /nfs/dbraw/zinc/06/50/40/814065040.db2.gz VIKIMOABCFTULT-INIZCTEOSA-N 1 1 253.349 3.212 20 30 CGEDMO COc1cc(C[N@H+](CCC#N)C2CCCC2)cc(F)c1O ZINC001209533762 814076730 /nfs/dbraw/zinc/07/67/30/814076730.db2.gz MDIQLUNENBYOSP-UHFFFAOYSA-N 1 1 292.354 3.198 20 30 CGEDMO COc1cc(C[N@@H+](CCC#N)C2CCCC2)cc(F)c1O ZINC001209533762 814076733 /nfs/dbraw/zinc/07/67/33/814076733.db2.gz MDIQLUNENBYOSP-UHFFFAOYSA-N 1 1 292.354 3.198 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C)[nH]1)[C@@H]1CCc2ccccc21 ZINC001209574568 814086119 /nfs/dbraw/zinc/08/61/19/814086119.db2.gz QLEVXERZWNQXEM-GOSISDBHSA-N 1 1 264.372 3.446 20 30 CGEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)CCCCCC)C1 ZINC001209665113 814111276 /nfs/dbraw/zinc/11/12/76/814111276.db2.gz WRJUNZAOLGJKKO-BRWVUGGUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)CC(C)C)C1 ZINC001209808665 814149675 /nfs/dbraw/zinc/14/96/75/814149675.db2.gz TUFQDZUZZVIRLA-BZUAXINKSA-N 1 1 280.456 3.071 20 30 CGEDMO N#Cc1cccc(C#N)c1Nc1ccc2[nH]c[nH+]c2c1 ZINC001209849101 814167652 /nfs/dbraw/zinc/16/76/52/814167652.db2.gz XATJHTSTJMXKHC-UHFFFAOYSA-N 1 1 259.272 3.050 20 30 CGEDMO CC[N@H+]1CCc2cc(C3=CC(=O)C[C@H](C)C3)ccc2C1 ZINC001242740056 823117685 /nfs/dbraw/zinc/11/76/85/823117685.db2.gz VAVXRFIPCBIHIK-CYBMUJFWSA-N 1 1 269.388 3.447 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCCCCCC)C1 ZINC001210547641 814518843 /nfs/dbraw/zinc/51/88/43/814518843.db2.gz RKDYSJPDKZLVJL-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO Cc1occc1Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001211237057 814856678 /nfs/dbraw/zinc/85/66/78/814856678.db2.gz GMRUZBJAXLQDJA-UHFFFAOYSA-N 1 1 273.361 3.253 20 30 CGEDMO Cc1cc(C)[nH+]c(Nc2cc(C#N)cc([N+](=O)[O-])c2)c1 ZINC001211327079 814879142 /nfs/dbraw/zinc/87/91/42/814879142.db2.gz LTAJHWIQHADQQK-UHFFFAOYSA-N 1 1 268.276 3.222 20 30 CGEDMO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@](C)(CC)CCCCC)C1 ZINC001211395208 814889355 /nfs/dbraw/zinc/88/93/55/814889355.db2.gz KSNNBIJTPWOPPR-JFIYKMOQSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)[C@@H]1CC[C@H](C)C[C@H]1OCCCC[C@H]([NH3+])C(=O)OC ZINC001217898788 815995843 /nfs/dbraw/zinc/99/58/43/815995843.db2.gz XSUFJNUKYIKNHC-YHUYYLMFSA-N 1 1 297.439 3.055 20 30 CGEDMO C=CC[C@H](CCCC)Oc1nc(CC)nc2c1C[NH2+]C2 ZINC001218439265 816213623 /nfs/dbraw/zinc/21/36/23/816213623.db2.gz ROGKXRVWJCXEAI-GFCCVEGCSA-N 1 1 275.396 3.156 20 30 CGEDMO C#C[C@](C)([NH3+])C(=O)Nc1ccc(C(C)C)cc1C(F)(F)F ZINC001219268493 816266945 /nfs/dbraw/zinc/26/69/45/816266945.db2.gz MNQWTMINQXSJAO-AWEZNQCLSA-N 1 1 298.308 3.118 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)/C=C(/C)CC)[C@@H]2C1 ZINC001221533222 816319114 /nfs/dbraw/zinc/31/91/14/816319114.db2.gz CMKDQLYYHMUYOV-NLZJUKMOSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](F)CC)[C@@H]2C1 ZINC001221738760 816325757 /nfs/dbraw/zinc/32/57/57/816325757.db2.gz UMKCBEMLIWHYEH-OWCLPIDISA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(CCC)CCC)[C@@H]2C1 ZINC001221773971 816326775 /nfs/dbraw/zinc/32/67/75/816326775.db2.gz MEDKXFMLHBEGAC-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C=C)CC)[C@@H]2C1 ZINC001221762169 816327231 /nfs/dbraw/zinc/32/72/31/816327231.db2.gz RRICWHYWIDWSAK-GVDBMIGSSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)CC(C)(C)C)[C@@H]2C1 ZINC001221853600 816330262 /nfs/dbraw/zinc/33/02/62/816330262.db2.gz OZYLRDURIXBFCX-ARFHVFGLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]2CC[N@H+](CC(CC)CC)[C@H]2C1 ZINC001222432172 816443997 /nfs/dbraw/zinc/44/39/97/816443997.db2.gz GVOVVJFMCAKAEN-SJORKVTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)/C=C/C(C)(C)C)CC1 ZINC001222646734 816489885 /nfs/dbraw/zinc/48/98/85/816489885.db2.gz MMFLTFPZWSDSHV-VMPITWQZSA-N 1 1 298.858 3.169 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@](C)(F)CCCC)C[C@@H]21 ZINC001223012459 816552616 /nfs/dbraw/zinc/55/26/16/816552616.db2.gz CZMOIBCHAHTADJ-HLLBOEOZSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]2CC[N@H+](CCCC)[C@H]2C1 ZINC001223406151 816623668 /nfs/dbraw/zinc/62/36/68/816623668.db2.gz PFAYSBUNFPZJLI-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC)CCC)C[C@@H]21 ZINC001223787938 816685084 /nfs/dbraw/zinc/68/50/84/816685084.db2.gz RLWWNWGUMMFZCC-ZACQAIPSSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H](C)C(C)(C)C)C[C@@H]21 ZINC001224008637 816719926 /nfs/dbraw/zinc/71/99/26/816719926.db2.gz CRNKCUPPLNNTTP-OAGGEKHMSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)C(C)(C)C(=C)C)CC1 ZINC001224013704 816721132 /nfs/dbraw/zinc/72/11/32/816721132.db2.gz GCNLOJFJFWJIRL-UHFFFAOYSA-N 1 1 298.858 3.169 20 30 CGEDMO C=CCCO[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001224339339 816782117 /nfs/dbraw/zinc/78/21/17/816782117.db2.gz KHXIJBNTRSRZBJ-OKZBNKHCSA-N 1 1 271.404 3.490 20 30 CGEDMO CCCCCCCCCO[C@H](C)C[NH+]1CCOCC1 ZINC001224386317 816790797 /nfs/dbraw/zinc/79/07/97/816790797.db2.gz KAFXYPVKKUMKAI-MRXNPFEDSA-N 1 1 271.445 3.474 20 30 CGEDMO C=CCCCOC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001224511125 816816557 /nfs/dbraw/zinc/81/65/57/816816557.db2.gz JVESVSNBJUTDCL-GOSISDBHSA-N 1 1 289.419 3.260 20 30 CGEDMO C=CCCCOC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001224511126 816817119 /nfs/dbraw/zinc/81/71/19/816817119.db2.gz JVESVSNBJUTDCL-SFHVURJKSA-N 1 1 289.419 3.260 20 30 CGEDMO CCCCCCCCO[C@H]1C[C@@H]2CC(=O)C[C@H]1[N@H+]2C ZINC001224569836 816828087 /nfs/dbraw/zinc/82/80/87/816828087.db2.gz APPCVUDQYLJTDO-IMJJTQAJSA-N 1 1 267.413 3.168 20 30 CGEDMO C=C[C@]1(C)CC[C@H](OC[C@H]2CCCC[N@@H+]2C)C(C)(C)O1 ZINC001224705969 816859652 /nfs/dbraw/zinc/85/96/52/816859652.db2.gz HXLJXFZJUWOESK-HLLBOEOZSA-N 1 1 281.440 3.390 20 30 CGEDMO C=CC[C@H](OCCC[NH+]1CCOCC1)c1ccccc1 ZINC001224870193 816898418 /nfs/dbraw/zinc/89/84/18/816898418.db2.gz MOPSVPOQDMJWTQ-KRWDZBQOSA-N 1 1 275.392 3.043 20 30 CGEDMO Cc1cc(O[C@@H]2CC[N@H+](C(C)C)C2)cc(C)c1C#N ZINC001226831187 817478719 /nfs/dbraw/zinc/47/87/19/817478719.db2.gz HZOCULOZODSSHI-CQSZACIVSA-N 1 1 258.365 3.037 20 30 CGEDMO Cc1ccc(C#N)cc1O[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001226878219 817492336 /nfs/dbraw/zinc/49/23/36/817492336.db2.gz OLUUFRPXOWYVEM-OAHLLOKOSA-N 1 1 258.365 3.118 20 30 CGEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc(Cl)cc1C#N)C2 ZINC001227205550 817590939 /nfs/dbraw/zinc/59/09/39/817590939.db2.gz MSTVAHBSJUYJDD-BTTYYORXSA-N 1 1 276.767 3.216 20 30 CGEDMO C=CCCCCCCNC(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC001228040569 817792878 /nfs/dbraw/zinc/79/28/78/817792878.db2.gz JPNQSNDQBGIFTK-UHFFFAOYSA-N 1 1 295.471 3.154 20 30 CGEDMO CC(=O)/C=C/c1ccc(O[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC001228495720 817922538 /nfs/dbraw/zinc/92/25/38/817922538.db2.gz FMADEYMERHNTPC-LAQIPUCWSA-N 1 1 273.376 3.150 20 30 CGEDMO CCCCCCC[N@@H+](C)CCCNC(=O)CC1CC1 ZINC001231154157 818046354 /nfs/dbraw/zinc/04/63/54/818046354.db2.gz SXVQDWABKHZPOG-UHFFFAOYSA-N 1 1 268.445 3.195 20 30 CGEDMO CCCCCCC[N@@H+](C)CCCNC(=O)c1cccnc1 ZINC001231237051 818062425 /nfs/dbraw/zinc/06/24/25/818062425.db2.gz GFCXYAQEXJHPBV-UHFFFAOYSA-N 1 1 291.439 3.104 20 30 CGEDMO COC[C@H]1CC[N@H+]1Cc1ccccc1C#Cc1ccccc1 ZINC001231578181 818127857 /nfs/dbraw/zinc/12/78/57/818127857.db2.gz JSTGCUDHTNATJF-HXUWFJFHSA-N 1 1 291.394 3.307 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCCC(=O)[C@@H](C)C2)c1 ZINC001231620806 818138027 /nfs/dbraw/zinc/13/80/27/818138027.db2.gz COQLAFKGJSXIBG-AWEZNQCLSA-N 1 1 273.376 3.052 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCCC(=O)[C@@H](C)C2)c1 ZINC001231620806 818138031 /nfs/dbraw/zinc/13/80/31/818138031.db2.gz COQLAFKGJSXIBG-AWEZNQCLSA-N 1 1 273.376 3.052 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001231616406 818138216 /nfs/dbraw/zinc/13/82/16/818138216.db2.gz BQSLCBKTRSODNV-CQSZACIVSA-N 1 1 298.308 3.136 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CCC[C@H]2Cc2ccccn2)c1 ZINC001231659127 818150834 /nfs/dbraw/zinc/15/08/34/818150834.db2.gz GYYKTSVNNAPNRF-IBGZPJMESA-N 1 1 276.383 3.270 20 30 CGEDMO C#Cc1cccc(C[N@@H+](C)C[C@H]2Cc3ccccc3O2)c1 ZINC001231664944 818153705 /nfs/dbraw/zinc/15/37/05/818153705.db2.gz ZXDLZNXEANAOEW-GOSISDBHSA-N 1 1 277.367 3.103 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CC[C@@H](CC(=O)OCC)[C@H](C)C2)c1 ZINC001231664660 818153808 /nfs/dbraw/zinc/15/38/08/818153808.db2.gz UGAIPXUMXHGVIB-QAPCUYQASA-N 1 1 299.414 3.079 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@H](C#N)CC2)cc1 ZINC001231820686 818184759 /nfs/dbraw/zinc/18/47/59/818184759.db2.gz RTUTTZFVWLFSDP-INIZCTEOSA-N 1 1 296.418 3.162 20 30 CGEDMO COc1cccc2c(C[N@H+]3CCC[C@@H](CC#N)C3)c[nH]c21 ZINC001231899986 818207299 /nfs/dbraw/zinc/20/72/99/818207299.db2.gz AZDXBOWDRGWPFH-ZDUSSCGKSA-N 1 1 283.375 3.302 20 30 CGEDMO CCC[N@H+](CCCN(C)C)Cc1ccc(C#N)c(Cl)c1 ZINC001232118886 818259757 /nfs/dbraw/zinc/25/97/57/818259757.db2.gz RHOYMAZNLBMTMV-UHFFFAOYSA-N 1 1 293.842 3.375 20 30 CGEDMO CCC[N@@H+](CCCN(C)C)Cc1ccc(C#N)c(Cl)c1 ZINC001232118886 818259762 /nfs/dbraw/zinc/25/97/62/818259762.db2.gz RHOYMAZNLBMTMV-UHFFFAOYSA-N 1 1 293.842 3.375 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1ccc(NC(C)=O)cc1C ZINC001232185245 818272120 /nfs/dbraw/zinc/27/21/20/818272120.db2.gz CSUYBOSHILUOBD-UHFFFAOYSA-N 1 1 287.407 3.469 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1ccc(NC(C)=O)cc1C ZINC001232185245 818272121 /nfs/dbraw/zinc/27/21/21/818272121.db2.gz CSUYBOSHILUOBD-UHFFFAOYSA-N 1 1 287.407 3.469 20 30 CGEDMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C#N)CC2)c(C)c1 ZINC001232188923 818273377 /nfs/dbraw/zinc/27/33/77/818273377.db2.gz VWDVWCGZTXDGRB-OAHLLOKOSA-N 1 1 285.391 3.079 20 30 CGEDMO CSc1ccc(C[N@H+](C)Cc2cccc(C#N)c2)cn1 ZINC001232330108 818317354 /nfs/dbraw/zinc/31/73/54/818317354.db2.gz OCYASWAFODJLHF-UHFFFAOYSA-N 1 1 283.400 3.307 20 30 CGEDMO CSc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)cn1 ZINC001232330108 818317360 /nfs/dbraw/zinc/31/73/60/818317360.db2.gz OCYASWAFODJLHF-UHFFFAOYSA-N 1 1 283.400 3.307 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cn2cc(F)ccc2n1 ZINC001232414903 818342695 /nfs/dbraw/zinc/34/26/95/818342695.db2.gz QRQIIXMYGMDKNZ-UHFFFAOYSA-N 1 1 261.344 3.262 20 30 CGEDMO COc1ccccc1C[C@H](C)[N@@H+](C)Cc1cc(C#N)ccn1 ZINC001232480047 818365070 /nfs/dbraw/zinc/36/50/70/818365070.db2.gz GWRJGPZYKKRQRX-AWEZNQCLSA-N 1 1 295.386 3.025 20 30 CGEDMO COc1cccc(C)c1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001232626260 818403370 /nfs/dbraw/zinc/40/33/70/818403370.db2.gz XRELGLWRGJCOSL-QKDCVEJESA-N 1 1 270.376 3.270 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cncc2cnccc21 ZINC001232650836 818410741 /nfs/dbraw/zinc/41/07/41/818410741.db2.gz HJOZSTFQDQVVGP-UHFFFAOYSA-N 1 1 288.354 3.133 20 30 CGEDMO N#Cc1ccc([O-])c(C[N@H+]2CCC[C@H]3CCCC[C@H]32)c1 ZINC001232678500 818417535 /nfs/dbraw/zinc/41/75/35/818417535.db2.gz AXIXLRZNZULFJB-GDBMZVCRSA-N 1 1 270.376 3.418 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2c[nH]c3cc(Cl)ncc23)C1 ZINC001232822587 818448989 /nfs/dbraw/zinc/44/89/89/818448989.db2.gz SIDWJSYQDPOUTE-LLVKDONJSA-N 1 1 273.767 3.062 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@H](F)CC1 ZINC001232888686 818465340 /nfs/dbraw/zinc/46/53/40/818465340.db2.gz LAUAONQWLMEKSP-ZDUSSCGKSA-N 1 1 250.292 3.021 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H](F)CC1 ZINC001232888686 818465338 /nfs/dbraw/zinc/46/53/38/818465338.db2.gz LAUAONQWLMEKSP-ZDUSSCGKSA-N 1 1 250.292 3.021 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cnc(OC)c3ccccc23)C1 ZINC001232951327 818481181 /nfs/dbraw/zinc/48/11/81/818481181.db2.gz GEGHMGBJDGOVED-AWEZNQCLSA-N 1 1 280.371 3.089 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@H](COCC3CC3)C2)c(C#N)c1 ZINC001232967614 818485190 /nfs/dbraw/zinc/48/51/90/818485190.db2.gz SERMBSODAUVZIY-INIZCTEOSA-N 1 1 284.403 3.115 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cc3cccnc3s2)C1 ZINC001233348978 818592247 /nfs/dbraw/zinc/59/22/47/818592247.db2.gz YMPILQHRVVWEGT-LBPRGKRZSA-N 1 1 256.374 3.142 20 30 CGEDMO C=CC[NH+](CC=C)Cc1ccn(C(=O)OC(C)(C)C)c1 ZINC001233432259 818617342 /nfs/dbraw/zinc/61/73/42/818617342.db2.gz CZURWRMHWBOIFW-UHFFFAOYSA-N 1 1 276.380 3.445 20 30 CGEDMO CC[N@H+]1CC[C@@H](Oc2ccc3cccc(C#N)c3c2)C1 ZINC001233570665 818645378 /nfs/dbraw/zinc/64/53/78/818645378.db2.gz WLHONTLBDMHCSR-MRXNPFEDSA-N 1 1 266.344 3.184 20 30 CGEDMO CC[N@H+]1CCC[C@H](Oc2ccc3sc(C#N)nc3c2)C1 ZINC001233707832 818687269 /nfs/dbraw/zinc/68/72/69/818687269.db2.gz ZOCZWJFUHUMIGL-LBPRGKRZSA-N 1 1 287.388 3.031 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)c1ccsc1 ZINC001233740392 818695722 /nfs/dbraw/zinc/69/57/22/818695722.db2.gz MAXNWCNUCUFTKT-ZDUSSCGKSA-N 1 1 280.437 3.155 20 30 CGEDMO CC[N@H+](CCC#N)Cc1cccc(OC(F)(F)F)c1O ZINC001233754959 818698169 /nfs/dbraw/zinc/69/81/69/818698169.db2.gz OUUWVKJAKCEXFH-UHFFFAOYSA-N 1 1 288.269 3.026 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1cccc(OC(F)(F)F)c1O ZINC001233754959 818698174 /nfs/dbraw/zinc/69/81/74/818698174.db2.gz OUUWVKJAKCEXFH-UHFFFAOYSA-N 1 1 288.269 3.026 20 30 CGEDMO C[N@H+]1CCc2c(cccc2O[C@H](C#N)c2ccccc2F)C1 ZINC001234424463 818851570 /nfs/dbraw/zinc/85/15/70/818851570.db2.gz QMEWJAKWALXEBF-GOSISDBHSA-N 1 1 296.345 3.457 20 30 CGEDMO C[N@H+]1CCc2c(cccc2O[C@@H](C#N)c2ccccc2F)C1 ZINC001234424464 818852428 /nfs/dbraw/zinc/85/24/28/818852428.db2.gz QMEWJAKWALXEBF-SFHVURJKSA-N 1 1 296.345 3.457 20 30 CGEDMO C#C[C@H](Oc1cccc2c1CC[N@H+](C)C2)c1ccccc1 ZINC001234425155 818853591 /nfs/dbraw/zinc/85/35/91/818853591.db2.gz VOPUEZIRMFFGSV-SFHVURJKSA-N 1 1 277.367 3.428 20 30 CGEDMO C=CC(C)(C)CC(=O)N(C)C[C@@H]1CC[N@H+]1CCC(=C)C ZINC001234536032 818877188 /nfs/dbraw/zinc/87/71/88/818877188.db2.gz AZBDIWXPVMUZEF-HNNXBMFYSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)/C=C(/C)C1CC1 ZINC001234541293 818879833 /nfs/dbraw/zinc/87/98/33/818879833.db2.gz ZWQYWYMQLDTMDJ-SEWDUPMJSA-N 1 1 278.440 3.136 20 30 CGEDMO CCOC(OCC)c1ccc(C[NH+]2CC(CC#N)C2)cc1 ZINC001234860076 818936983 /nfs/dbraw/zinc/93/69/83/818936983.db2.gz CVGUGFKRHOUCFQ-UHFFFAOYSA-N 1 1 288.391 3.104 20 30 CGEDMO C=CCCCCCCCCC[N@H+]1C[C@@H]2C[C@]2(N)C1 ZINC001235146505 819016636 /nfs/dbraw/zinc/01/66/36/819016636.db2.gz MDOQRFNPQGXRRC-HOTGVXAUSA-N 1 1 250.430 3.326 20 30 CGEDMO C=CCCCCCCCCC[N@@H+]1C[C@@H]2C[C@]2(N)C1 ZINC001235146505 819016640 /nfs/dbraw/zinc/01/66/40/819016640.db2.gz MDOQRFNPQGXRRC-HOTGVXAUSA-N 1 1 250.430 3.326 20 30 CGEDMO CCc1cc(CN2CCCCC23CC[NH2+]CC3)ccc1C#N ZINC001235192215 819032271 /nfs/dbraw/zinc/03/22/71/819032271.db2.gz YWJXSZQUHMNDRV-UHFFFAOYSA-N 1 1 297.446 3.229 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(Br)c(OCC)c1 ZINC001235449831 819101468 /nfs/dbraw/zinc/10/14/68/819101468.db2.gz QXEGNEGOKWZAKL-UHFFFAOYSA-N 1 1 284.197 3.466 20 30 CGEDMO N#CCc1ccccc1C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC001235523984 819114685 /nfs/dbraw/zinc/11/46/85/819114685.db2.gz XNBRBTMDDVRXDW-SFHVURJKSA-N 1 1 277.371 3.137 20 30 CGEDMO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CC#N)C2)n1 ZINC001236642804 819558195 /nfs/dbraw/zinc/55/81/95/819558195.db2.gz JPRSAWAMUFGPHX-LBPRGKRZSA-N 1 1 263.772 3.169 20 30 CGEDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](CC#N)C2)n1 ZINC001236642804 819558202 /nfs/dbraw/zinc/55/82/02/819558202.db2.gz JPRSAWAMUFGPHX-LBPRGKRZSA-N 1 1 263.772 3.169 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(-n3ccnc3)c(Cl)c2)C1 ZINC001236914890 819636832 /nfs/dbraw/zinc/63/68/32/819636832.db2.gz WNFXNIDXEDPNNQ-CQSZACIVSA-N 1 1 299.805 3.371 20 30 CGEDMO C=CCCCC[N@@H+](C)Cc1ccc(F)c(S(C)(=O)=O)c1 ZINC001236966286 819639748 /nfs/dbraw/zinc/63/97/48/819639748.db2.gz KOACDLDXFPJEHB-UHFFFAOYSA-N 1 1 299.411 3.017 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccc(F)c(S(C)(=O)=O)c1 ZINC001236966286 819639754 /nfs/dbraw/zinc/63/97/54/819639754.db2.gz KOACDLDXFPJEHB-UHFFFAOYSA-N 1 1 299.411 3.017 20 30 CGEDMO C=CCCCCC[N@H+](C1CCC1)[C@H]1CCCNC1 ZINC001237146470 819678135 /nfs/dbraw/zinc/67/81/35/819678135.db2.gz RSOSEHIWDNSURM-INIZCTEOSA-N 1 1 250.430 3.339 20 30 CGEDMO C=CCCCCC[N@@H+](C1CCC1)[C@H]1CCCNC1 ZINC001237146470 819678138 /nfs/dbraw/zinc/67/81/38/819678138.db2.gz RSOSEHIWDNSURM-INIZCTEOSA-N 1 1 250.430 3.339 20 30 CGEDMO C=CCCCC[N@@H+](C)Cc1nc(C(=O)OCC)c(C)s1 ZINC001237243222 819708938 /nfs/dbraw/zinc/70/89/38/819708938.db2.gz ZDFLBKHVDWQCJH-UHFFFAOYSA-N 1 1 296.436 3.416 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1nc(C(=O)OCC)c(C)s1 ZINC001237243222 819708943 /nfs/dbraw/zinc/70/89/43/819708943.db2.gz ZDFLBKHVDWQCJH-UHFFFAOYSA-N 1 1 296.436 3.416 20 30 CGEDMO C=CC[N@H+](C)Cc1c2ccc(C)cc2[nH]c1C(=O)OCC ZINC001237325198 819726594 /nfs/dbraw/zinc/72/65/94/819726594.db2.gz VVJOZQGQJNNXMK-UHFFFAOYSA-N 1 1 286.375 3.271 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2c(Cl)[nH]c3cnccc32)C1 ZINC001237460558 819755181 /nfs/dbraw/zinc/75/51/81/819755181.db2.gz IWDMPNQVEHZUJK-LLVKDONJSA-N 1 1 273.767 3.062 20 30 CGEDMO CCOc1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)c(F)c1 ZINC001237635902 819794281 /nfs/dbraw/zinc/79/42/81/819794281.db2.gz WWEPGKSQQMVFFC-ZDUSSCGKSA-N 1 1 276.355 3.350 20 30 CGEDMO CCOc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)c(F)c1 ZINC001237635902 819794287 /nfs/dbraw/zinc/79/42/87/819794287.db2.gz WWEPGKSQQMVFFC-ZDUSSCGKSA-N 1 1 276.355 3.350 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1cccc(C(N)=O)c1 ZINC001237695759 819808835 /nfs/dbraw/zinc/80/88/35/819808835.db2.gz OWODCIJOFUSZTC-UHFFFAOYSA-N 1 1 294.398 3.364 20 30 CGEDMO N#Cc1ccc2c(c1)CC[N@@H+](Cc1cccc3c1OCC3)C2 ZINC001237745556 819833131 /nfs/dbraw/zinc/83/31/31/819833131.db2.gz JKWGQZCOBZSXBJ-UHFFFAOYSA-N 1 1 290.366 3.051 20 30 CGEDMO N#Cc1ccc2c(c1)CC[N@H+](Cc1cccc3c1OCC3)C2 ZINC001237745556 819833137 /nfs/dbraw/zinc/83/31/37/819833137.db2.gz JKWGQZCOBZSXBJ-UHFFFAOYSA-N 1 1 290.366 3.051 20 30 CGEDMO CC[N@@H+](Cc1cc(Cl)cc(C#N)c1)C1CCN(C)CC1 ZINC001237757774 819838001 /nfs/dbraw/zinc/83/80/01/819838001.db2.gz UPDGBYTYWGYTSB-UHFFFAOYSA-N 1 1 291.826 3.128 20 30 CGEDMO CCN(Cc1cc(Cl)cc(C#N)c1)C1CC[NH+](C)CC1 ZINC001237757774 819838008 /nfs/dbraw/zinc/83/80/08/819838008.db2.gz UPDGBYTYWGYTSB-UHFFFAOYSA-N 1 1 291.826 3.128 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccccn3)n2)C1 ZINC001237834778 819855373 /nfs/dbraw/zinc/85/53/73/819855373.db2.gz ZZFHGSGYIJGHLT-HNNXBMFYSA-N 1 1 292.386 3.269 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](Cc2ccccc2C2CCOCC2)C1 ZINC001237912709 819878751 /nfs/dbraw/zinc/87/87/51/819878751.db2.gz ILBRIQAGXIBSOY-SFHVURJKSA-N 1 1 284.403 3.316 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](Cc2ccccc2C2CCOCC2)C1 ZINC001237912709 819878764 /nfs/dbraw/zinc/87/87/64/819878764.db2.gz ILBRIQAGXIBSOY-SFHVURJKSA-N 1 1 284.403 3.316 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)c(Cl)c1 ZINC001238084083 819928431 /nfs/dbraw/zinc/92/84/31/819928431.db2.gz ZFTGEBCJUBKYRR-CJNGLKHVSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)c(Cl)c1 ZINC001238084083 819928437 /nfs/dbraw/zinc/92/84/37/819928437.db2.gz ZFTGEBCJUBKYRR-CJNGLKHVSA-N 1 1 290.794 3.213 20 30 CGEDMO C[N@H+](Cc1ccc(Cl)c(C#N)c1)C[C@H]1CCCCO1 ZINC001238194690 819952955 /nfs/dbraw/zinc/95/29/55/819952955.db2.gz RHTYNXFSHXGTFF-CQSZACIVSA-N 1 1 278.783 3.213 20 30 CGEDMO C#CC[NH+]1CCN(Cc2ccc(Cl)c(C(C)C)c2)CC1 ZINC001238230179 819964677 /nfs/dbraw/zinc/96/46/77/819964677.db2.gz VALYYKGAVJYOKG-UHFFFAOYSA-N 1 1 290.838 3.214 20 30 CGEDMO C=CC[N@H+](C)Cc1cc(Br)cc(OCC)c1 ZINC001238253145 819968378 /nfs/dbraw/zinc/96/83/78/819968378.db2.gz VKKYEGOLKVZAPE-UHFFFAOYSA-N 1 1 284.197 3.466 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@H](C#N)CC2)cnc1OC(C)C ZINC001238381079 819982369 /nfs/dbraw/zinc/98/23/69/819982369.db2.gz HJAPMMIBEIBABH-HNNXBMFYSA-N 1 1 287.407 3.303 20 30 CGEDMO COc1c(F)c(F)ccc1C[NH+]1CCC(CC#N)CC1 ZINC001238479124 820018368 /nfs/dbraw/zinc/01/83/68/820018368.db2.gz ZRMUJFIHNHTQMJ-UHFFFAOYSA-N 1 1 280.318 3.099 20 30 CGEDMO COc1cc(C)cc(F)c1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001238591780 820055838 /nfs/dbraw/zinc/05/58/38/820055838.db2.gz MRNAZUZGNAWRCJ-ZDUSSCGKSA-N 1 1 276.355 3.268 20 30 CGEDMO COc1cc(C)cc(F)c1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001238591780 820055848 /nfs/dbraw/zinc/05/58/48/820055848.db2.gz MRNAZUZGNAWRCJ-ZDUSSCGKSA-N 1 1 276.355 3.268 20 30 CGEDMO Cc1cc(C[NH+]2CC(CC#N)C2)cc(C)c1OC(C)C ZINC001238755358 820108171 /nfs/dbraw/zinc/10/81/71/820108171.db2.gz PDHJUZFLVRJQQH-UHFFFAOYSA-N 1 1 272.392 3.436 20 30 CGEDMO COc1cc(C)c(C)cc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001238765309 820111425 /nfs/dbraw/zinc/11/14/25/820111425.db2.gz DMSBLXRLIPKCPC-HNNXBMFYSA-N 1 1 272.392 3.438 20 30 CGEDMO CCc1cc(C[N@H+]2C[C@H]3CCC[C@@]3(COC)C2)ccc1C#N ZINC001238761797 820111580 /nfs/dbraw/zinc/11/15/80/820111580.db2.gz GLGADQDLDBBJRQ-MOPGFXCFSA-N 1 1 298.430 3.369 20 30 CGEDMO CCc1cc(C[N@@H+](C)C[C@H]2CCCCO2)ccc1C#N ZINC001238778106 820116962 /nfs/dbraw/zinc/11/69/62/820116962.db2.gz KNKJDVFOVJLEHC-QGZVFWFLSA-N 1 1 272.392 3.122 20 30 CGEDMO C[N@H+]1CC[C@H](c2ccc(-c3ccnc(C#N)c3)cc2)C1 ZINC001241199902 821634293 /nfs/dbraw/zinc/63/42/93/821634293.db2.gz GMFAQXKNNNYTAB-INIZCTEOSA-N 1 1 263.344 3.039 20 30 CGEDMO COc1nc(C)c(-c2c[nH+]c(N(C)C)cc2C)c(C)c1C#N ZINC001241244253 821665571 /nfs/dbraw/zinc/66/55/71/821665571.db2.gz ZMHHBTQTQUEASH-UHFFFAOYSA-N 1 1 296.374 3.015 20 30 CGEDMO C[N@@H+]1CC=C(c2ccc3cc(C#N)c(C#N)cc3c2)CC1 ZINC001241330244 821736622 /nfs/dbraw/zinc/73/66/22/821736622.db2.gz MHLMOTUAHWDUPT-UHFFFAOYSA-N 1 1 273.339 3.302 20 30 CGEDMO C#Cc1cccc(-c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC001241920192 822219148 /nfs/dbraw/zinc/21/91/48/822219148.db2.gz RQCKMXOGLGWAJI-UHFFFAOYSA-N 1 1 277.367 3.167 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](CCCCc2ccccc2)C1 ZINC001338318669 936316921 /nfs/dbraw/zinc/31/69/21/936316921.db2.gz JIDFRJCJENLAGY-QGZVFWFLSA-N 1 1 259.393 3.286 20 30 CGEDMO CS[C@H]1CC[C@H]([N@@H+](C)CCCC2(C#N)CCOCC2)C1 ZINC001339844212 936387985 /nfs/dbraw/zinc/38/79/85/936387985.db2.gz ONTDYXUDNSMHEC-GJZGRUSLSA-N 1 1 296.480 3.303 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C)cc1-c1cnn(C)c1)CC1CC1 ZINC001340085439 936397830 /nfs/dbraw/zinc/39/78/30/936397830.db2.gz FGTDNWKYNODFDC-UHFFFAOYSA-N 1 1 293.414 3.241 20 30 CGEDMO C#CCCCCCC[N@@H+]1C[C@@H](SC)[C@H](N2CCCC2)C1 ZINC001341080538 936427137 /nfs/dbraw/zinc/42/71/37/936427137.db2.gz YYWJWQAQAXTDQT-IAGOWNOFSA-N 1 1 294.508 3.082 20 30 CGEDMO C#CCCCCCCN1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1 ZINC001341080538 936427140 /nfs/dbraw/zinc/42/71/40/936427140.db2.gz YYWJWQAQAXTDQT-IAGOWNOFSA-N 1 1 294.508 3.082 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cccc(CCC)c2)C1 ZINC001342973505 936485564 /nfs/dbraw/zinc/48/55/64/936485564.db2.gz YIHQNLGOIWPWQD-KRWDZBQOSA-N 1 1 259.393 3.416 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)c1cc(C)ccc1F ZINC001479855247 936825497 /nfs/dbraw/zinc/82/54/97/936825497.db2.gz AGLBGLIYTLSZML-UHFFFAOYSA-N 1 1 292.398 3.152 20 30 CGEDMO C=CCC[C@@H]1CCCN1C(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[N@@H+]2C1 ZINC001348022214 936907465 /nfs/dbraw/zinc/90/74/65/936907465.db2.gz ATIRFOLXZNMRGK-YLFCFFPRSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](CCO[C@H](CC)c2ccccc2)C1 ZINC001349499692 936950387 /nfs/dbraw/zinc/95/03/87/936950387.db2.gz YUDGQXGYKAWUCH-QZTJIDSGSA-N 1 1 289.419 3.431 20 30 CGEDMO N#Cc1cncc(C[NH+]2CCC(F)(c3ccccc3)CC2)c1 ZINC001351412747 937016771 /nfs/dbraw/zinc/01/67/71/937016771.db2.gz AIQGWIMEAWGQQC-UHFFFAOYSA-N 1 1 295.361 3.414 20 30 CGEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)C1(C2CCC2)CCC1 ZINC001480322833 937045818 /nfs/dbraw/zinc/04/58/18/937045818.db2.gz JCLRGBFMVJYNAY-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+](C)CCNC(=O)C1CC(C)(C)CC(C)(C)C1 ZINC001480896238 926759867 /nfs/dbraw/zinc/75/98/67/926759867.db2.gz NALMBPWSWMZWEL-UHFFFAOYSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[N@H+](C)CCNC(=O)[C@@H](CC)CC1CCCC1 ZINC001480920780 926795124 /nfs/dbraw/zinc/79/51/24/926795124.db2.gz XIEWGLISOKOVEM-INIZCTEOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC[N@@H+](C/C=C/Cl)CCC ZINC001493308667 926817185 /nfs/dbraw/zinc/81/71/85/926817185.db2.gz NHKZFMWRPASPMP-BQYQJAHWSA-N 1 1 286.847 3.169 20 30 CGEDMO C=CC(C)(C)CC(=O)NCC[N@H+](CC)CC1CCCC1 ZINC001480977015 926851760 /nfs/dbraw/zinc/85/17/60/926851760.db2.gz MPTBNDUOBXTNJI-UHFFFAOYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@H+](CC)CCNC(=O)[C@@H]1CCCC[C@@H]1CC ZINC001481008348 926857927 /nfs/dbraw/zinc/85/79/27/926857927.db2.gz PACGQWWNKLMTJS-JKSUJKDBSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CCC[N@@H+]2CC=C(C)C)CCC1 ZINC001481058358 926876526 /nfs/dbraw/zinc/87/65/26/926876526.db2.gz WUMBPIMZUYEPEN-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@@H+](CCC)CCNC(=O)[C@@H]1CC12CCCC2 ZINC001481149115 926896019 /nfs/dbraw/zinc/89/60/19/926896019.db2.gz DKCHGTKEWMPKGG-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)c1ccc(F)cc1)C(C)C ZINC001481345308 926962758 /nfs/dbraw/zinc/96/27/58/926962758.db2.gz NVWVJEYJFHWJSQ-UHFFFAOYSA-N 1 1 292.398 3.232 20 30 CGEDMO C=CCCC(=O)N(CCC)[C@@H]1CC[N@@H+](CC[C@@H](C)F)C1 ZINC001481398419 926978520 /nfs/dbraw/zinc/97/85/20/926978520.db2.gz UCWYROZGXMSPOH-HUUCEWRRSA-N 1 1 284.419 3.014 20 30 CGEDMO C#CC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@@H](CC)CCCC)C1 ZINC001481493131 927003437 /nfs/dbraw/zinc/00/34/37/927003437.db2.gz SRXKOHPXSOVWCU-IRXDYDNUSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(C)CCC(=O)N1CCC(C[N@@H+](C)CC=C(C)C)CC1 ZINC001481514307 927009827 /nfs/dbraw/zinc/00/98/27/927009827.db2.gz AFDMXMMDKYHQSV-UHFFFAOYSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)[C@@H]1CCC(C)=C(C)C1)C1CC1 ZINC001493372005 927011820 /nfs/dbraw/zinc/01/18/20/927011820.db2.gz IFJUKLPSYRTXLB-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)CCC(=C)C)C1 ZINC001481525844 927014520 /nfs/dbraw/zinc/01/45/20/927014520.db2.gz KTSPVZGIPLDORB-HZPDHXFCSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC)CCCCC)C1 ZINC001481530699 927015691 /nfs/dbraw/zinc/01/56/91/927015691.db2.gz OHUOSFIFHWAWDV-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CCC[N@H+](CCC(C)C)C1 ZINC001481536541 927020249 /nfs/dbraw/zinc/02/02/49/927020249.db2.gz CPHVCGLTDJCMPR-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@@H](C)[NH+]1CC(NC(=O)c2csc(Cl)c2)C1 ZINC001481586232 927034419 /nfs/dbraw/zinc/03/44/19/927034419.db2.gz AHOOEHHKVBAZQE-SNVBAGLBSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)CC ZINC001481671934 927050240 /nfs/dbraw/zinc/05/02/40/927050240.db2.gz LCRZDOGWFQZTTN-ULQDDVLXSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@H](NC(=O)C=C2CCC2)C1 ZINC001481700676 927063700 /nfs/dbraw/zinc/06/37/00/927063700.db2.gz MDJMUEBHJYOOJY-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H](NC(=O)c2cccc(C3CC3)c2)C1 ZINC001481709762 927067606 /nfs/dbraw/zinc/06/76/06/927067606.db2.gz NWMLDXPJSAYZHS-GOSISDBHSA-N 1 1 298.430 3.334 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)C1C[C@@H](C)C[C@H](C)C1 ZINC001482653809 927336975 /nfs/dbraw/zinc/33/69/75/927336975.db2.gz UPLVGJBBAVGLJJ-GJZGRUSLSA-N 1 1 280.456 3.025 20 30 CGEDMO C=CC[N@H+](C)CCN(C)C(=O)[C@]1(C)CCC(C)=C(C)C1 ZINC001482652898 927338850 /nfs/dbraw/zinc/33/88/50/927338850.db2.gz HVHYRDWCIHPDNR-QGZVFWFLSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCOCC[N@H+](C)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC001473199026 937165212 /nfs/dbraw/zinc/16/52/12/937165212.db2.gz ANOUYSKHPIPSAZ-JKSUJKDBSA-N 1 1 281.440 3.249 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)C(C)(C)C(C)C ZINC001483343207 927486518 /nfs/dbraw/zinc/48/65/18/927486518.db2.gz WNMQEWCXJSBCNB-AWEZNQCLSA-N 1 1 268.445 3.071 20 30 CGEDMO C#CCC[N@H+](C)C[C@H](C)NC(=O)CCC1CCCCCC1 ZINC001483362075 927489861 /nfs/dbraw/zinc/48/98/61/927489861.db2.gz BRGBUZOMZJNFDK-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCCC(=O)N[C@H](C)C[N@@H+](C)CC1CC2(CCC2)C1 ZINC001483377867 927493242 /nfs/dbraw/zinc/49/32/42/927493242.db2.gz HTKOEQRYDFTXEY-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)c1sccc1C1CC1 ZINC001483416334 927503004 /nfs/dbraw/zinc/50/30/04/927503004.db2.gz GEGOZWHEOUGVED-LBPRGKRZSA-N 1 1 292.448 3.252 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)c1c(C)cccc1F ZINC001483428072 927504298 /nfs/dbraw/zinc/50/42/98/927504298.db2.gz YQAJVDIWYLYRGC-CQSZACIVSA-N 1 1 292.398 3.150 20 30 CGEDMO C=CC[N@H+](C)C[C@@H](C)NC(=O)C/C=C/c1ccc(C)cc1 ZINC001483431369 927506815 /nfs/dbraw/zinc/50/68/15/927506815.db2.gz SMJQRRYLZGGGRG-FYCOFBDGSA-N 1 1 286.419 3.021 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](CC)CC1CCCC1 ZINC001483692928 927578618 /nfs/dbraw/zinc/57/86/18/927578618.db2.gz BOWGURDSGCRVGR-IAGOWNOFSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)CCCC1CCCC1 ZINC001483705581 927581051 /nfs/dbraw/zinc/58/10/51/927581051.db2.gz IPVMUWMIEYEIHB-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCCC(=O)N1CCCC[C@@H]1[C@H]1CC[N@H+](CCC)C1 ZINC001483801681 927624347 /nfs/dbraw/zinc/62/43/47/927624347.db2.gz KWHCNFZOJFLONH-DLBZAZTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)CCCC)C2)C1 ZINC001483839854 927633279 /nfs/dbraw/zinc/63/32/79/927633279.db2.gz HNLVEJCSKKBIOP-KRWDZBQOSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@](C)(NC(=O)C[C@H](C)CCC)C1 ZINC001484033265 927667567 /nfs/dbraw/zinc/66/75/67/927667567.db2.gz BUJKQLQDYZCMRE-WBVHZDCISA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)C[C@@H](CC)C(C)C)C1 ZINC001484173484 927682894 /nfs/dbraw/zinc/68/28/94/927682894.db2.gz KDUXFRIWJBAOIQ-AEFFLSMTSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)c2cccs2)C1 ZINC001484149672 927683449 /nfs/dbraw/zinc/68/34/49/927683449.db2.gz CDHXPFCGPXGPSP-INIZCTEOSA-N 1 1 292.448 3.156 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCC1CC1 ZINC001484464306 927708230 /nfs/dbraw/zinc/70/82/30/927708230.db2.gz UMUGGWNKPSAPHE-DLBZAZTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCCN(C(=O)/C(C)=C\C)[C@@H]2C1 ZINC001484470036 927710099 /nfs/dbraw/zinc/71/00/99/927710099.db2.gz QXRYRIIOAKACHV-QUPDYESPSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)CCC2(C)CC2)CC1 ZINC001484723753 927741518 /nfs/dbraw/zinc/74/15/18/927741518.db2.gz JVHNGCNMLUXUMT-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)CC1CCCCC1 ZINC001484732042 927743846 /nfs/dbraw/zinc/74/38/46/927743846.db2.gz ICBGTKGDLDAZRR-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@H]1[C@H]1CCC[N@H+](C(C)C)C1 ZINC001484772636 927756684 /nfs/dbraw/zinc/75/66/84/927756684.db2.gz YJOKSUXOLIKYEP-IRXDYDNUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCC(C)C)C(C)(C)C1 ZINC001484933501 927770717 /nfs/dbraw/zinc/77/07/17/927770717.db2.gz HPSWTWZICAPSNW-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)CC)C(C)(C)C1 ZINC001484937344 927773263 /nfs/dbraw/zinc/77/32/63/927773263.db2.gz MSWBPOQOJPZRMX-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)C(C)(C)C)C(C)(C)C1 ZINC001484936456 927774848 /nfs/dbraw/zinc/77/48/48/927774848.db2.gz JFVFWJXTABXVRW-HUUCEWRRSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)C2CC2)C(C)(C)C1 ZINC001484943413 927774971 /nfs/dbraw/zinc/77/49/71/927774971.db2.gz NNGOIMMWMKHOJP-ZBFHGGJFSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)CCC2CCCC2)C[C@@H]1C ZINC001484968504 927776910 /nfs/dbraw/zinc/77/69/10/927776910.db2.gz IVMTXXZLKRVDAQ-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[N@@H+](CCCC=C)[C@@H](C)C1 ZINC001484976610 927780283 /nfs/dbraw/zinc/78/02/83/927780283.db2.gz MNVBQUQSUGCSNY-JKSUJKDBSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](C)CCCC ZINC001485054998 927793466 /nfs/dbraw/zinc/79/34/66/927793466.db2.gz JVISMWCHYISUHA-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](CC)SC ZINC001485058097 927798923 /nfs/dbraw/zinc/79/89/23/927798923.db2.gz YHIZSZNTAGQIDC-HUUCEWRRSA-N 1 1 298.496 3.017 20 30 CGEDMO C#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](CC)CCCCC ZINC001485081084 927806417 /nfs/dbraw/zinc/80/64/17/927806417.db2.gz ZUCYBVCHJYLDTB-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)C[C@H](C)c1ccccc1 ZINC001485382136 927858377 /nfs/dbraw/zinc/85/83/77/927858377.db2.gz SKMFKOOHTVUZPO-HOTGVXAUSA-N 1 1 288.435 3.193 20 30 CGEDMO C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)CSC(C)C ZINC001485473597 927876594 /nfs/dbraw/zinc/87/65/94/927876594.db2.gz FZXVQPIDWXMRFP-HNNXBMFYSA-N 1 1 298.496 3.065 20 30 CGEDMO C/C=C(/C)C(=O)NCC1[C@H]2C[N@@H+](CCCCCCC)C[C@@H]12 ZINC001485595673 927893455 /nfs/dbraw/zinc/89/34/55/927893455.db2.gz FSGSFIPBWSCMNV-JWDMPACVSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC(C)(C)C)C[C@H]2C1 ZINC001485653751 927895109 /nfs/dbraw/zinc/89/51/09/927895109.db2.gz KLSJNRDQYVIHNB-HRCADAONSA-N 1 1 292.467 3.215 20 30 CGEDMO C#CCOCC[N@@H+](Cc1cccc(Cl)c1)CC(C)C ZINC001473671520 937201323 /nfs/dbraw/zinc/20/13/23/937201323.db2.gz XSVFOVMRWYGIIK-UHFFFAOYSA-N 1 1 279.811 3.448 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@@H]2C(C)C)CC1 ZINC001485765972 927918225 /nfs/dbraw/zinc/91/82/25/927918225.db2.gz TZEWNBWSLFXDBA-IAGOWNOFSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)C=C(CC)CC)CCC[C@H]12 ZINC001486149513 927990826 /nfs/dbraw/zinc/99/08/26/927990826.db2.gz GZNWLMXUHCQJKK-FUHWJXTLSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CCC[N@@H+](CC3CC3)[C@H]2C)CCC1 ZINC001486181420 927997691 /nfs/dbraw/zinc/99/76/91/927997691.db2.gz PDFBXRMXWCPOKV-HOCLYGCPSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)CCN(C(=O)[C@@H]1C[C@H]1C)C(C)C ZINC001486373096 928010342 /nfs/dbraw/zinc/01/03/42/928010342.db2.gz OZXULPAYTLJSFS-BZUAXINKSA-N 1 1 280.456 3.166 20 30 CGEDMO C#CC[N@H+](C)CCN(C(=O)C[C@@H]1CCCC[C@@H]1C)C(C)C ZINC001486380237 928012302 /nfs/dbraw/zinc/01/23/02/928012302.db2.gz ATFWZWDUSDOFJT-IRXDYDNUSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[N@@H+](CC)CCCC(C)(C)C ZINC001492999805 928061115 /nfs/dbraw/zinc/06/11/15/928061115.db2.gz GUNKOPMMSZYQKY-UHFFFAOYSA-N 1 1 282.472 3.463 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](N(C)C(=O)C2CC=CC2)C1 ZINC001494815125 928093216 /nfs/dbraw/zinc/09/32/16/928093216.db2.gz VUUGOMUVFXDEQI-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)C2(CC)CCC2)C1 ZINC001494841901 928170789 /nfs/dbraw/zinc/17/07/89/928170789.db2.gz BORJSBLNLRVCHB-CVEARBPZSA-N 1 1 292.467 3.454 20 30 CGEDMO N#CCC1CCC([NH2+]C2CCN(C3CCC3)CC2)CC1 ZINC001173330705 928228355 /nfs/dbraw/zinc/22/83/55/928228355.db2.gz UQVDKWJSIUWVKU-UHFFFAOYSA-N 1 1 275.440 3.065 20 30 CGEDMO C#CC[N@@H+](C[C@H]1CC[C@@H](c2ccccc2)O1)C(C)C ZINC001198027655 928269326 /nfs/dbraw/zinc/26/93/26/928269326.db2.gz RNDMUOUYVRZLAD-SJORKVTESA-N 1 1 257.377 3.250 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C1(CF)CCC1 ZINC001488665587 928288037 /nfs/dbraw/zinc/28/80/37/928288037.db2.gz ZKMYBAXPBZQMFD-LSDHHAIUSA-N 1 1 296.430 3.014 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2cc3ccc(F)cc3[nH]c2=O)C1 ZINC001364994063 937234614 /nfs/dbraw/zinc/23/46/14/937234614.db2.gz MXFPWQXZRCDQOY-LBPRGKRZSA-N 1 1 299.349 3.205 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@H+](CCCC)[C@@H]1CC ZINC001489118435 928312593 /nfs/dbraw/zinc/31/25/93/928312593.db2.gz NINUNCXKMPPWGY-LSDHHAIUSA-N 1 1 266.429 3.112 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@@H](C)CCC)[C@H]1C ZINC001489257740 928320698 /nfs/dbraw/zinc/32/06/98/928320698.db2.gz SZDWREBRKRHIKU-YUTCNCBUSA-N 1 1 286.847 3.144 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)CCC)[C@H]1C ZINC001489257740 928320705 /nfs/dbraw/zinc/32/07/05/928320705.db2.gz SZDWREBRKRHIKU-YUTCNCBUSA-N 1 1 286.847 3.144 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)CCCNC(=O)C1(C)CCCC1 ZINC001490338042 928351361 /nfs/dbraw/zinc/35/13/61/928351361.db2.gz SOFUKGJHXWNUEZ-UHFFFAOYSA-N 1 1 286.847 3.147 20 30 CGEDMO C=C(Cl)C[N@@H+](CCCNC(=O)C(C)(C)C1CC1)C1CC1 ZINC001490384585 928352037 /nfs/dbraw/zinc/35/20/37/928352037.db2.gz ZTKVUXNOFIQGOQ-UHFFFAOYSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@H+](CCCNC(=O)C(C)(C)C1CC1)C1CC1 ZINC001490384585 928352046 /nfs/dbraw/zinc/35/20/46/928352046.db2.gz ZTKVUXNOFIQGOQ-UHFFFAOYSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)CC)C1 ZINC001490426819 928364864 /nfs/dbraw/zinc/36/48/64/928364864.db2.gz FVCBPWZUHDXWGJ-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC001490563355 928371150 /nfs/dbraw/zinc/37/11/50/928371150.db2.gz KUXLWQSWHLTLSW-HOTGVXAUSA-N 1 1 294.483 3.461 20 30 CGEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)[C@](C)(CC)CCCCC)C1 ZINC001490579980 928376919 /nfs/dbraw/zinc/37/69/19/928376919.db2.gz MRIMVRFXMMEITK-SJLPKXTDSA-N 1 1 292.467 3.197 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@](C)(CC)CCCCC)C1 ZINC001490579980 928376923 /nfs/dbraw/zinc/37/69/23/928376923.db2.gz MRIMVRFXMMEITK-SJLPKXTDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)c1cccc(C(F)F)c1 ZINC001492824164 937241466 /nfs/dbraw/zinc/24/14/66/937241466.db2.gz BDRNHRLKXANPED-UHFFFAOYSA-N 1 1 296.361 3.252 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)C(C)C)C1 ZINC001490757873 928386202 /nfs/dbraw/zinc/38/62/02/928386202.db2.gz DBTXJDNYFHRDGP-HNNXBMFYSA-N 1 1 280.456 3.025 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)C=C(CC)CC)C1 ZINC001490754026 928388673 /nfs/dbraw/zinc/38/86/73/928388673.db2.gz DFOMELDMBQMWBI-MRXNPFEDSA-N 1 1 278.440 3.089 20 30 CGEDMO CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)CC[C@@H](C)CC)C1 ZINC001490774226 928388721 /nfs/dbraw/zinc/38/87/21/928388721.db2.gz QFNORJWRLJSRTP-IRXDYDNUSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H](C)C2CC2)C1 ZINC001317753552 928396351 /nfs/dbraw/zinc/39/63/51/928396351.db2.gz GVKDPHRKKNBTPK-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001318442960 928437020 /nfs/dbraw/zinc/43/70/20/928437020.db2.gz OHKSKFDAQZGLAV-JKSUJKDBSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CC(C)(C)CC(=O)N(CC)[C@H]1CC[N@H+](C[C@H](F)CC)C1 ZINC001318474184 928437727 /nfs/dbraw/zinc/43/77/27/928437727.db2.gz SNRGTVZQXZTCGM-CABCVRRESA-N 1 1 298.446 3.260 20 30 CGEDMO CC(C)(C)c1ccc2c(c1)CC[N@H+](CCOCCC#N)C2 ZINC001327800305 928708746 /nfs/dbraw/zinc/70/87/46/928708746.db2.gz JUALXPCCOQIMFL-UHFFFAOYSA-N 1 1 286.419 3.272 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CCCCC3)C1 ZINC001460289452 928744251 /nfs/dbraw/zinc/74/42/51/928744251.db2.gz KEWLHPYCXPWIMN-SJORKVTESA-N 1 1 275.436 3.461 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H](CNC(=O)C[C@@H]2CC=CCC2)C1 ZINC001493225218 928773913 /nfs/dbraw/zinc/77/39/13/928773913.db2.gz FVDCIYIEIQXOIS-IAGOWNOFSA-N 1 1 290.451 3.137 20 30 CGEDMO Cc1nc([C@H]2CCC[N@H+]2CCCC(C)(C)C#N)[nH]c1C ZINC001308070704 928812733 /nfs/dbraw/zinc/81/27/33/928812733.db2.gz LCYFFIQMDBYYGU-CQSZACIVSA-N 1 1 274.412 3.493 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)C(C)=C2CCC2)C1 ZINC001491106051 928831850 /nfs/dbraw/zinc/83/18/50/928831850.db2.gz ZCRDWMDRFCNUEC-AWEZNQCLSA-N 1 1 296.842 3.068 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)C(C)=C2CCC2)C1 ZINC001491106051 928831857 /nfs/dbraw/zinc/83/18/57/928831857.db2.gz ZCRDWMDRFCNUEC-AWEZNQCLSA-N 1 1 296.842 3.068 20 30 CGEDMO CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](CCC)C(C)C ZINC001491226830 928847317 /nfs/dbraw/zinc/84/73/17/928847317.db2.gz XIHPNKOPDLAWOG-IRXDYDNUSA-N 1 1 292.467 3.053 20 30 CGEDMO CCCCCCCC(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC001439249931 937315490 /nfs/dbraw/zinc/31/54/90/937315490.db2.gz LTWXRLXFMJJWHE-LSDHHAIUSA-N 1 1 298.496 3.043 20 30 CGEDMO C=C1CCC(CNC(=O)[C@@H]2CCCC[N@@H+]2CCC)CC1 ZINC001455550049 937419047 /nfs/dbraw/zinc/41/90/47/937419047.db2.gz ZEAVEVDIBDGNHC-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@@H+](C/C=C(/C)COC)CCc1ccccc1 ZINC001459388565 937486706 /nfs/dbraw/zinc/48/67/06/937486706.db2.gz BCLDKNOIZMOZGS-YBEGLDIGSA-N 1 1 259.393 3.310 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001459401782 937487250 /nfs/dbraw/zinc/48/72/50/937487250.db2.gz AZOHVOAYLDYILX-LSDHHAIUSA-N 1 1 294.439 3.120 20 30 CGEDMO C=CC[N@H+](C[C@@H](O)CC1(C#N)CCC1)CC1CCCCC1 ZINC001459490267 937489347 /nfs/dbraw/zinc/48/93/47/937489347.db2.gz RSSVEXDWOBINBL-KRWDZBQOSA-N 1 1 290.451 3.500 20 30 CGEDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cc(C#N)ccn1 ZINC001459522885 937490494 /nfs/dbraw/zinc/49/04/94/937490494.db2.gz RIRICLJDPSZZAH-INWMFGNUSA-N 1 1 255.365 3.106 20 30 CGEDMO C#CC[N@H+](CC#CC)CCc1c(Cl)cccc1Cl ZINC001459580879 937492569 /nfs/dbraw/zinc/49/25/69/937492569.db2.gz RTZGQOSGWUWLCT-UHFFFAOYSA-N 1 1 280.198 3.494 20 30 CGEDMO C#CC[N@@H+](CC#CC)CCc1c(Cl)cccc1Cl ZINC001459580879 937492572 /nfs/dbraw/zinc/49/25/72/937492572.db2.gz RTZGQOSGWUWLCT-UHFFFAOYSA-N 1 1 280.198 3.494 20 30 CGEDMO C=C(C)C[N@@H+]1CCN(c2ccc(C)c(C)c2)C[C@H]1C ZINC001459605593 937493175 /nfs/dbraw/zinc/49/31/75/937493175.db2.gz CAHVLDZEDBXRKP-MRXNPFEDSA-N 1 1 258.409 3.390 20 30 CGEDMO C#CCOCC[N@H+]1CCC[C@H](CCCc2ccccc2)C1 ZINC001459784923 937500290 /nfs/dbraw/zinc/50/02/90/937500290.db2.gz MXGJTGPIDYUPNQ-IBGZPJMESA-N 1 1 285.431 3.371 20 30 CGEDMO CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)[C@H]1C ZINC001459984208 937510572 /nfs/dbraw/zinc/51/05/72/937510572.db2.gz MPOXMYFKMYVGLE-KCQAQPDRSA-N 1 1 285.391 3.006 20 30 CGEDMO COCC#CC[N@@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC001460096167 937515691 /nfs/dbraw/zinc/51/56/91/937515691.db2.gz CCZQHRYGPZHMPI-UHFFFAOYSA-N 1 1 295.785 3.341 20 30 CGEDMO COCC#CC[N@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC001460096167 937515693 /nfs/dbraw/zinc/51/56/93/937515693.db2.gz CCZQHRYGPZHMPI-UHFFFAOYSA-N 1 1 295.785 3.341 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@@H](CC)C(=O)OC(C)(C)C)C1 ZINC001460364893 937528232 /nfs/dbraw/zinc/52/82/32/937528232.db2.gz VDSPOSOTOQIVQT-KBPBESRZSA-N 1 1 267.413 3.395 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](CC(=O)N(C2CC2)C2CCCC2)C1 ZINC001460364775 937528315 /nfs/dbraw/zinc/52/83/15/937528315.db2.gz SUAJZTGWCGJTPR-HNNXBMFYSA-N 1 1 290.451 3.208 20 30 CGEDMO C#CC[N@H+](C[C@@H]1CCCCC1(C)C)C1CSC1 ZINC001460378756 937529256 /nfs/dbraw/zinc/52/92/56/937529256.db2.gz XTQQCGKEHQEVHE-ZDUSSCGKSA-N 1 1 251.439 3.253 20 30 CGEDMO C=CC[N@H+](CC(=O)N(C)[C@@H](C)CC(C)C)C(C)(C)C ZINC001460459610 937532187 /nfs/dbraw/zinc/53/21/87/937532187.db2.gz SBLGHJMDZZPOOT-AWEZNQCLSA-N 1 1 268.445 3.166 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(C)c(Cl)n2)C1 ZINC001460522151 937533795 /nfs/dbraw/zinc/53/37/95/937533795.db2.gz MNXKRVHXYIQHLY-LBPRGKRZSA-N 1 1 250.773 3.441 20 30 CGEDMO CO[C@@H](C[N@@H+](C)CCc1cccc(C#N)c1)c1ccccc1 ZINC001460665900 937538790 /nfs/dbraw/zinc/53/87/90/937538790.db2.gz UJWOXLMTQZDJCE-IBGZPJMESA-N 1 1 294.398 3.420 20 30 CGEDMO C[C@H]1Cc2n[nH]cc2C[N@H+](CCCCC2(C#N)CCC2)C1 ZINC001460781785 937544765 /nfs/dbraw/zinc/54/47/65/937544765.db2.gz ZANIBGONGAXGEQ-AWEZNQCLSA-N 1 1 286.423 3.268 20 30 CGEDMO C#CC[N@H+](CCC(C)(C)O)[C@@H]1CCCc2ccccc21 ZINC001460835256 937548238 /nfs/dbraw/zinc/54/82/38/937548238.db2.gz JSMVOKXXZMPKSN-QGZVFWFLSA-N 1 1 271.404 3.160 20 30 CGEDMO N#CC1(CC[N@H+]2CC[C@@H](c3cnccn3)C2)CCCCC1 ZINC001460860146 937549993 /nfs/dbraw/zinc/54/99/93/937549993.db2.gz PJNUHPZRIGZNJA-OAHLLOKOSA-N 1 1 284.407 3.130 20 30 CGEDMO COC(C)(C)[C@H]1CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001139529097 931953423 /nfs/dbraw/zinc/95/34/23/931953423.db2.gz JQAIAQJEMSRDNX-OAHLLOKOSA-N 1 1 276.355 3.087 20 30 CGEDMO CCC[N@@H+](Cc1c[nH]c2ccc(C#N)cc12)C1CCOCC1 ZINC001140115443 931955935 /nfs/dbraw/zinc/95/59/35/931955935.db2.gz ACNCCYJWCJRJND-UHFFFAOYSA-N 1 1 297.402 3.431 20 30 CGEDMO CC1(C)C[N@H+](Cc2cc(C#N)ccc2Cl)CCCO1 ZINC001140601013 931959243 /nfs/dbraw/zinc/95/92/43/931959243.db2.gz FOAGLHAIDOIEAQ-UHFFFAOYSA-N 1 1 278.783 3.213 20 30 CGEDMO CC1(C)C[N@@H+](Cc2cc(C#N)ccc2Cl)CCCO1 ZINC001140601013 931959250 /nfs/dbraw/zinc/95/92/50/931959250.db2.gz FOAGLHAIDOIEAQ-UHFFFAOYSA-N 1 1 278.783 3.213 20 30 CGEDMO CO[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Cl)CC1 ZINC001140602568 931959346 /nfs/dbraw/zinc/95/93/46/931959346.db2.gz MZPVYRNPCUIFQO-AWEZNQCLSA-N 1 1 278.783 3.213 20 30 CGEDMO C#C[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)OC)c(Cl)c1 ZINC001460921134 937553324 /nfs/dbraw/zinc/55/33/24/937553324.db2.gz VDDSKSVEFTZFTC-CYBMUJFWSA-N 1 1 291.778 3.114 20 30 CGEDMO C#C[C@@H]1CCCC[N@@H+]1Cc1ccc(C(=O)OC)c(Cl)c1 ZINC001460921134 937553325 /nfs/dbraw/zinc/55/33/25/937553325.db2.gz VDDSKSVEFTZFTC-CYBMUJFWSA-N 1 1 291.778 3.114 20 30 CGEDMO C[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2C(C)(C)C)C1 ZINC001228997054 932068736 /nfs/dbraw/zinc/06/87/36/932068736.db2.gz WJUMZTWUUWPSLE-CQSZACIVSA-N 1 1 272.392 3.329 20 30 CGEDMO C#Cc1ccc(C[NH2+][C@H](C)CN2C[C@H](C)C[C@@H](C)C2)cc1 ZINC001461093829 937563317 /nfs/dbraw/zinc/56/33/17/937563317.db2.gz GOWDZXMBEARMCF-BRWVUGGUSA-N 1 1 284.447 3.124 20 30 CGEDMO Cc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c(C(C)C)c1 ZINC001229126983 932101331 /nfs/dbraw/zinc/10/13/31/932101331.db2.gz ZZQYESXNDAXNEW-YPDBZUBKSA-N 1 1 287.403 3.110 20 30 CGEDMO Cc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c(C(C)C)c1 ZINC001229126983 932101336 /nfs/dbraw/zinc/10/13/36/932101336.db2.gz ZZQYESXNDAXNEW-YPDBZUBKSA-N 1 1 287.403 3.110 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H](Oc2cc(C#N)ccc2Cl)C1 ZINC001229251567 932123732 /nfs/dbraw/zinc/12/37/32/932123732.db2.gz ZHXDSJKVEMYMKB-ZDUSSCGKSA-N 1 1 278.783 3.463 20 30 CGEDMO N#CCCC[NH2+]Cc1c(F)cc(Br)cc1F ZINC001461428047 937580716 /nfs/dbraw/zinc/58/07/16/937580716.db2.gz JORHPFQAEBKBML-UHFFFAOYSA-N 1 1 289.123 3.121 20 30 CGEDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ccc(C2(C#N)CC2)cc1 ZINC001229945342 932506573 /nfs/dbraw/zinc/50/65/73/932506573.db2.gz VNDRUQVQAOCZMG-JLVBRIDZSA-N 1 1 296.414 3.351 20 30 CGEDMO C=CCCC(=O)N1CCC([C@H]2CCC[N@H+]2CC2CC2)CC1 ZINC001230533901 932585621 /nfs/dbraw/zinc/58/56/21/932585621.db2.gz VVTUWHPODCUPSD-QGZVFWFLSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C1CCCCC1 ZINC001230646928 932603193 /nfs/dbraw/zinc/60/31/93/932603193.db2.gz YVZFKYCCVTXAQJ-WBVHZDCISA-N 1 1 292.467 3.454 20 30 CGEDMO CCCn1cc(C[N@H+](C)Cc2cccc(C#N)c2)c(C)n1 ZINC001462019764 937613240 /nfs/dbraw/zinc/61/32/40/937613240.db2.gz OJDZKIMRQFNTGL-UHFFFAOYSA-N 1 1 282.391 3.105 20 30 CGEDMO CCCn1cc(C[N@@H+](C)Cc2cccc(C#N)c2)c(C)n1 ZINC001462019764 937613243 /nfs/dbraw/zinc/61/32/43/937613243.db2.gz OJDZKIMRQFNTGL-UHFFFAOYSA-N 1 1 282.391 3.105 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCCC ZINC001230775108 932622215 /nfs/dbraw/zinc/62/22/15/932622215.db2.gz CWDROFCDQILLSJ-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](CC)CCCC ZINC001230845003 932630992 /nfs/dbraw/zinc/63/09/92/932630992.db2.gz USIHRQLJKGJSSJ-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccc(C#N)s2)CCC1(F)F ZINC001232842253 932683365 /nfs/dbraw/zinc/68/33/65/932683365.db2.gz RBQLUZBASUOFNO-JTQLQIEISA-N 1 1 270.348 3.487 20 30 CGEDMO N#C[C@H]1CC[C@@H]([NH2+]CC(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC001254643173 932724964 /nfs/dbraw/zinc/72/49/64/932724964.db2.gz JOCZJQJESXTFKI-GXFFZTMASA-N 1 1 296.292 3.170 20 30 CGEDMO C#CCCCCCC(=O)N1CCC[C@H]([N@@H+](C)CC(=C)C)C1 ZINC001491943946 932797457 /nfs/dbraw/zinc/79/74/57/932797457.db2.gz PRNGZEXLQRQXAC-KRWDZBQOSA-N 1 1 290.451 3.069 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@H]([N@H+](C)CCCCC)C2)C1 ZINC001491946808 932797744 /nfs/dbraw/zinc/79/77/44/932797744.db2.gz JUJBOLSBXZMLDZ-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCNC(=O)c1c(C)cc(F)cc1C ZINC001492366122 932815817 /nfs/dbraw/zinc/81/58/17/932815817.db2.gz RCVDVAARFVXRIS-UHFFFAOYSA-N 1 1 292.398 3.070 20 30 CGEDMO C=C(C)C[N@H+](C)CCNC(=O)C[C@H](C)CC(C)(C)C ZINC001492432808 932817713 /nfs/dbraw/zinc/81/77/13/932817713.db2.gz VFQNAUSALBBCBC-AWEZNQCLSA-N 1 1 268.445 3.073 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](CC[C@H](C)c2ccccc2)C1 ZINC001338844524 932876674 /nfs/dbraw/zinc/87/66/74/932876674.db2.gz GHMOKPCUHOSIGA-DOTOQJQBSA-N 1 1 259.393 3.457 20 30 CGEDMO C=CCC[N@@H+](C)CCNC(=O)c1ccc(C)c2ccccc12 ZINC001317463191 932882897 /nfs/dbraw/zinc/88/28/97/932882897.db2.gz SDXKYZFQXHJRRD-UHFFFAOYSA-N 1 1 296.414 3.386 20 30 CGEDMO C=CCC[N@H+](C)[C@H](CCc1ccccc1)C(=O)OCC ZINC001307688748 932986095 /nfs/dbraw/zinc/98/60/95/932986095.db2.gz QZBOHCNZAMPOCY-MRXNPFEDSA-N 1 1 275.392 3.059 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)Cc1cc(C)ccc1C ZINC001307729317 932993095 /nfs/dbraw/zinc/99/30/95/932993095.db2.gz JYACYAPOZMEPJL-UHFFFAOYSA-N 1 1 260.425 3.243 20 30 CGEDMO C=CC[N@@H+](C)CCN(CC)Cc1cc(C)ccc1C ZINC001307729317 932993100 /nfs/dbraw/zinc/99/31/00/932993100.db2.gz JYACYAPOZMEPJL-UHFFFAOYSA-N 1 1 260.425 3.243 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)Cc1cc(C)ccc1C ZINC001307729317 932993103 /nfs/dbraw/zinc/99/31/03/932993103.db2.gz JYACYAPOZMEPJL-UHFFFAOYSA-N 1 1 260.425 3.243 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@H+]2CC[C@@H](C3CCCCC3)C2)CCC1 ZINC001307910983 933019176 /nfs/dbraw/zinc/01/91/76/933019176.db2.gz PFJVWQMBBRELQE-IAGOWNOFSA-N 1 1 290.451 3.333 20 30 CGEDMO C=CC[N@H+](CCCN(C)c1ccccc1)[C@@H](C)COC ZINC001307924132 933021871 /nfs/dbraw/zinc/02/18/71/933021871.db2.gz NCYPLKLFTGBYAX-INIZCTEOSA-N 1 1 276.424 3.036 20 30 CGEDMO C=CC[N@H+](CCOCCOc1ccccc1)C(C)(C)C ZINC001307938028 933023821 /nfs/dbraw/zinc/02/38/21/933023821.db2.gz HDRRFVBFUPJGMX-UHFFFAOYSA-N 1 1 277.408 3.369 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001308022450 933036092 /nfs/dbraw/zinc/03/60/92/933036092.db2.gz MAUARBMPYDGHMM-GJZGRUSLSA-N 1 1 294.439 3.284 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001308022449 933036160 /nfs/dbraw/zinc/03/61/60/933036160.db2.gz MAUARBMPYDGHMM-CABCVRRESA-N 1 1 294.439 3.284 20 30 CGEDMO C#CC[N@H+](Cc1c(C)cc(C#N)cc1C)C(C)(C)C ZINC001308088544 933046549 /nfs/dbraw/zinc/04/65/49/933046549.db2.gz RIHGGFDFWGKNQL-UHFFFAOYSA-N 1 1 254.377 3.409 20 30 CGEDMO C#CC[N@@H+](C[C@H](O)c1ccc(F)cc1Cl)C(C)(C)C ZINC001308087713 933047097 /nfs/dbraw/zinc/04/70/97/933047097.db2.gz HGDHBOOJVNLDHY-AWEZNQCLSA-N 1 1 283.774 3.246 20 30 CGEDMO C=CCC[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1 ZINC001308135080 933054687 /nfs/dbraw/zinc/05/46/87/933054687.db2.gz CXIFIDDQAPPIMB-INIZCTEOSA-N 1 1 272.392 3.446 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1CC(=O)N(C)Cc1ccccc1 ZINC001308135086 933054872 /nfs/dbraw/zinc/05/48/72/933054872.db2.gz DHQJYHPAJYJLCI-QGZVFWFLSA-N 1 1 286.419 3.076 20 30 CGEDMO C=CCC[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1 ZINC001308135083 933055207 /nfs/dbraw/zinc/05/52/07/933055207.db2.gz CXIFIDDQAPPIMB-MRXNPFEDSA-N 1 1 272.392 3.446 20 30 CGEDMO C#C[C@H]1CCCC[N@@H+]1Cc1cc(OC)ccc1Cl ZINC001308141097 933056967 /nfs/dbraw/zinc/05/69/67/933056967.db2.gz JRKFJDQCTWNHJW-ZDUSSCGKSA-N 1 1 263.768 3.336 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC001308143379 933056873 /nfs/dbraw/zinc/05/68/73/933056873.db2.gz ZOEZBNDBKWBSMN-KBPBESRZSA-N 1 1 299.336 3.259 20 30 CGEDMO C#C[C@H]1CCCC[N@H+]1Cc1cc(OC)ccc1Cl ZINC001308141097 933056964 /nfs/dbraw/zinc/05/69/64/933056964.db2.gz JRKFJDQCTWNHJW-ZDUSSCGKSA-N 1 1 263.768 3.336 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC001308142824 933057079 /nfs/dbraw/zinc/05/70/79/933057079.db2.gz WXLPUALRBWEWBI-SJORKVTESA-N 1 1 298.430 3.368 20 30 CGEDMO C=CC[NH+](CC=C)[C@@H](CNCc1cc(C)co1)C(C)C ZINC001308196130 933070481 /nfs/dbraw/zinc/07/04/81/933070481.db2.gz BSMWZLGERKMKRU-KRWDZBQOSA-N 1 1 276.424 3.376 20 30 CGEDMO COc1nsc(C[NH2+]Cc2ccc(C#N)s2)c1Cl ZINC001308441857 933111355 /nfs/dbraw/zinc/11/13/55/933111355.db2.gz ZNMHLXPXDAAQNK-UHFFFAOYSA-N 1 1 299.808 3.028 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2c(OC)cc(F)cc2OC)C1 ZINC001308831284 933185251 /nfs/dbraw/zinc/18/52/51/933185251.db2.gz AHNPRPMRAREHMG-ZDUSSCGKSA-N 1 1 291.366 3.078 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc3c(c2)C[C@H](C)O3)C1 ZINC001308831604 933185275 /nfs/dbraw/zinc/18/52/75/933185275.db2.gz CUGAMDJRSYIZLZ-GJZGRUSLSA-N 1 1 269.388 3.245 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(OCC)c(F)c2)C1 ZINC001308831249 933185791 /nfs/dbraw/zinc/18/57/91/933185791.db2.gz FTRXRHHXEXVONH-AWEZNQCLSA-N 1 1 275.367 3.460 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc3c(cccc3O)s2)C1 ZINC001308880101 933196487 /nfs/dbraw/zinc/19/64/87/933196487.db2.gz GKVBWVFUVUOXQR-GFCCVEGCSA-N 1 1 271.385 3.452 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](CCCC)C(C)C ZINC001317514608 933319343 /nfs/dbraw/zinc/31/93/43/933319343.db2.gz XTCYRRHRCXLZAJ-DLBZAZTESA-N 1 1 292.467 3.053 20 30 CGEDMO COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1CCCCC1(C#N)CCC1 ZINC001341140000 933325049 /nfs/dbraw/zinc/32/50/49/933325049.db2.gz VKNKUMPLTGDTLH-LSDHHAIUSA-N 1 1 292.423 3.124 20 30 CGEDMO C=CCN(Cc1ccccc1)C(=O)c1ccc(C[NH+](C)C)o1 ZINC001463892730 937682325 /nfs/dbraw/zinc/68/23/25/937682325.db2.gz XJTXDXCZOWLGPA-UHFFFAOYSA-N 1 1 298.386 3.170 20 30 CGEDMO C=CCN(Cc1ccccc1)C(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC001463885472 937682631 /nfs/dbraw/zinc/68/26/31/937682631.db2.gz AZLOLUFSBPPPTK-MRXNPFEDSA-N 1 1 286.419 3.074 20 30 CGEDMO CCCCCCCNC(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC001313052319 933422158 /nfs/dbraw/zinc/42/21/58/933422158.db2.gz FLFABEHAEDKLTO-HNNXBMFYSA-N 1 1 295.471 3.083 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@@H+](CC2CCC2)[C@@H](C)C1 ZINC001328277139 933433070 /nfs/dbraw/zinc/43/30/70/933433070.db2.gz CRDJLXZRFFSASN-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(Cl)C[N@H+](CCCNC(=O)c1ccsc1)C1CC1 ZINC001316909204 933494558 /nfs/dbraw/zinc/49/45/58/933494558.db2.gz GBCYSHAMOYMTSF-UHFFFAOYSA-N 1 1 298.839 3.085 20 30 CGEDMO C=C(Cl)C[N@@H+](CCCNC(=O)c1ccsc1)C1CC1 ZINC001316909204 933494561 /nfs/dbraw/zinc/49/45/61/933494561.db2.gz GBCYSHAMOYMTSF-UHFFFAOYSA-N 1 1 298.839 3.085 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)[C@H]1C[C@]1(C)C(C)C)C1CC1 ZINC001316929956 933496700 /nfs/dbraw/zinc/49/67/00/933496700.db2.gz KULUOVFLOKDXDK-SJLPKXTDSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@H+](CC(C)C)C2)CCCCC1 ZINC001316994230 933507571 /nfs/dbraw/zinc/50/75/71/933507571.db2.gz HHQHARHTCONUJT-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)cs2)C1 ZINC001316989292 933508563 /nfs/dbraw/zinc/50/85/63/933508563.db2.gz UCLGIYFYRGVJQG-LBPRGKRZSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)/C=C(\C)CC)C1 ZINC001317036855 933517755 /nfs/dbraw/zinc/51/77/55/933517755.db2.gz IXPSYGVPOPYCJF-MAUBAPBLSA-N 1 1 292.467 3.479 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC(C)C ZINC001317049537 933521133 /nfs/dbraw/zinc/52/11/33/933521133.db2.gz RYMOQIAGKJTBNF-CALCHBBNSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)CCC2CCCC2)C1 ZINC001317131622 933537642 /nfs/dbraw/zinc/53/76/42/933537642.db2.gz DCLXGNQYRNFVTK-QGZVFWFLSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)CC[C@H](C)CC)C1 ZINC001317138132 933539487 /nfs/dbraw/zinc/53/94/87/933539487.db2.gz AXNYZICSXNKWCV-CVEARBPZSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)CC1CC(C)(C)C1 ZINC001317174657 933547251 /nfs/dbraw/zinc/54/72/51/933547251.db2.gz VYXRZVXHOHWBBQ-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@H]1[C@H]1CCC[N@@H+]1CC(C)C ZINC001317199183 933552507 /nfs/dbraw/zinc/55/25/07/933552507.db2.gz QAIGFCVMLIRGEG-SJORKVTESA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCCC(=O)N[C@H](C)[C@H]1CCC[N@@H+](CC(=C)Cl)C1 ZINC001317211137 933555128 /nfs/dbraw/zinc/55/51/28/933555128.db2.gz WTVCTZQIFPETLC-CABCVRRESA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCCC1(C)C ZINC001317456144 933593379 /nfs/dbraw/zinc/59/33/79/933593379.db2.gz DZQUOTHRLBAKQI-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)CCCCCC ZINC001317513461 933608302 /nfs/dbraw/zinc/60/83/02/933608302.db2.gz VVOLAOYEDKFUCD-CQSZACIVSA-N 1 1 286.847 3.290 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)CCCCCC ZINC001317513461 933608305 /nfs/dbraw/zinc/60/83/05/933608305.db2.gz VVOLAOYEDKFUCD-CQSZACIVSA-N 1 1 286.847 3.290 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)CCCC)C1 ZINC001317752821 933642263 /nfs/dbraw/zinc/64/22/63/933642263.db2.gz FNIRQZNXHBMLNG-HNNXBMFYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CC23CC3)C1 ZINC001317766197 933647799 /nfs/dbraw/zinc/64/77/99/933647799.db2.gz CBIWEURYFMATIY-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@H](C[N@H+](C)CC(=C)C)C2)CCC1 ZINC001317851584 933658490 /nfs/dbraw/zinc/65/84/90/933658490.db2.gz BDETUBAIHIBTMC-MRXNPFEDSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)C[C@@H](C)CC(C)C)C1 ZINC001317856578 933658715 /nfs/dbraw/zinc/65/87/15/933658715.db2.gz HMVAZPZTQVQWLA-IRXDYDNUSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C/C(C)=C\CC(=O)N1CC[C@H](C[N@@H+](C)CCC(=C)C)C1 ZINC001317849495 933659177 /nfs/dbraw/zinc/65/91/77/933659177.db2.gz WGMWWRJBPQIIRV-BOVGMKJQSA-N 1 1 290.451 3.255 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)C2(CCC)CC2)C1 ZINC001317853714 933659357 /nfs/dbraw/zinc/65/93/57/933659357.db2.gz LUIOEUOQFGFFAX-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)C2CCCC2)C1 ZINC001317856058 933659667 /nfs/dbraw/zinc/65/96/67/933659667.db2.gz CBJMMIRSINUDQL-HOTGVXAUSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC1C[NH+]([C@H]2CCc3ccccc32)C1 ZINC001318056269 933680921 /nfs/dbraw/zinc/68/09/21/933680921.db2.gz JKLUOLRBMYKRCR-KDOFPFPSSA-N 1 1 298.430 3.077 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2C=CCCC2)C1 ZINC001318411301 933721173 /nfs/dbraw/zinc/72/11/73/933721173.db2.gz CDRJHTHUXWHXMA-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C#CC[N@H+](Cc1ccc(F)c(Cl)c1)CC1CC1 ZINC001319726940 933923441 /nfs/dbraw/zinc/92/34/41/933923441.db2.gz JIQRFVUAGRVRCM-UHFFFAOYSA-N 1 1 251.732 3.324 20 30 CGEDMO COc1ccc(C[C@H](C)[N@@H+](C)CCC(C)(C)C#N)cc1 ZINC001319850430 933944192 /nfs/dbraw/zinc/94/41/92/933944192.db2.gz DZBZQVLDDHBMDB-AWEZNQCLSA-N 1 1 274.408 3.498 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)C(C)(C)C(F)F ZINC001320041330 933986057 /nfs/dbraw/zinc/98/60/57/933986057.db2.gz DUONKAJTSWIYLO-LBPRGKRZSA-N 1 1 290.398 3.023 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC001320039026 933986206 /nfs/dbraw/zinc/98/62/06/933986206.db2.gz GEACUDMOUOYZHY-CQSZACIVSA-N 1 1 290.388 3.180 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC001320039026 933986212 /nfs/dbraw/zinc/98/62/12/933986212.db2.gz GEACUDMOUOYZHY-CQSZACIVSA-N 1 1 290.388 3.180 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)CCCCC)CC[C@@H]21 ZINC001320093986 933999092 /nfs/dbraw/zinc/99/90/92/933999092.db2.gz BXZZGWIICWCFDR-GJZGRUSLSA-N 1 1 298.858 3.242 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+]([C@H]2CCc3c2cccc3F)C1 ZINC001320173596 934013924 /nfs/dbraw/zinc/01/39/24/934013924.db2.gz YSEVEJNGHUACQT-JKSUJKDBSA-N 1 1 258.340 3.439 20 30 CGEDMO C[C@]1(C#N)CCC[N@H+]([C@H]2CCc3c2cccc3F)C1 ZINC001320173596 934013927 /nfs/dbraw/zinc/01/39/27/934013927.db2.gz YSEVEJNGHUACQT-JKSUJKDBSA-N 1 1 258.340 3.439 20 30 CGEDMO C=C[C@@H](COC)[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC001320428310 934046249 /nfs/dbraw/zinc/04/62/49/934046249.db2.gz XHVNLNWGXZJBAK-NSHDSACASA-N 1 1 277.261 3.135 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC001320868529 934115500 /nfs/dbraw/zinc/11/55/00/934115500.db2.gz AIIWHTCHMCBZGC-NSHDSACASA-N 1 1 273.767 3.184 20 30 CGEDMO CC[C@H](N[C@@H]1CCCC[C@H]1[NH+](C)C)c1ccc(C#N)cc1 ZINC001321282541 934171293 /nfs/dbraw/zinc/17/12/93/934171293.db2.gz KWLKQENCGOPRLZ-RCCFBDPRSA-N 1 1 285.435 3.472 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@H](C)C[N@@H+](C)CC1CCCC1 ZINC001322225859 934261302 /nfs/dbraw/zinc/26/13/02/934261302.db2.gz XDQPKYSKVYKEAI-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C#CCC[N@H+](C)C[C@H](C)NC(=O)c1ccccc1C1CCC1 ZINC001322287370 934272070 /nfs/dbraw/zinc/27/20/70/934272070.db2.gz YWKHNBBQRVKOAS-HNNXBMFYSA-N 1 1 298.430 3.028 20 30 CGEDMO CCCCCCCNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC001470876264 937758589 /nfs/dbraw/zinc/75/85/89/937758589.db2.gz NGOFLKMSGYDFDJ-MRXNPFEDSA-N 1 1 297.487 3.473 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1C[C@H]2CCCC[C@]21c1ccccc1 ZINC001322744250 934334553 /nfs/dbraw/zinc/33/45/53/934334553.db2.gz CPPQHSXKVHWQNA-NXHRZFHOSA-N 1 1 284.403 3.316 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@H]1CNC(=O)C1=CCCC1 ZINC001323212745 934374893 /nfs/dbraw/zinc/37/48/93/934374893.db2.gz RZVNLEARMSXJMF-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1CC[N@@H+]1Cc1csc(C)c1 ZINC001323243838 934375874 /nfs/dbraw/zinc/37/58/74/934375874.db2.gz TXTPBHCMFKWIFE-HNNXBMFYSA-N 1 1 292.448 3.103 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1CC[N@H+]1Cc1csc(C)c1 ZINC001323243838 934375884 /nfs/dbraw/zinc/37/58/84/934375884.db2.gz TXTPBHCMFKWIFE-HNNXBMFYSA-N 1 1 292.448 3.103 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C)CC1CCCCC1 ZINC001323317382 934385746 /nfs/dbraw/zinc/38/57/46/934385746.db2.gz GRSMQNZBCWTBAB-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)CC ZINC001323683689 934418536 /nfs/dbraw/zinc/41/85/36/934418536.db2.gz FBPSYXWWSSGMNF-ZACQAIPSSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC(C)(C)CC ZINC001323683496 934419027 /nfs/dbraw/zinc/41/90/27/934419027.db2.gz DAAVEGKLWFSRAG-CABCVRRESA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(C)C ZINC001323788635 934426107 /nfs/dbraw/zinc/42/61/07/934426107.db2.gz OJQSHSRAENZLPJ-IYBDPMFKSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@]2(CCN(C(=O)C=C(C)C)C2)C1 ZINC001323835847 934429486 /nfs/dbraw/zinc/42/94/86/934429486.db2.gz NTBBUBHLJCVVLO-AEFFLSMTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@H](CC)C(C)C)C2)C1 ZINC001323873205 934434520 /nfs/dbraw/zinc/43/45/20/934434520.db2.gz OAULTPTYEWOIHF-WMZOPIPTSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)C(C)=C2CCCC2)C1 ZINC001324602301 934532251 /nfs/dbraw/zinc/53/22/51/934532251.db2.gz QVIZSVKHHSHNKH-GOSISDBHSA-N 1 1 290.451 3.424 20 30 CGEDMO CC#CCCCC(=O)N[C@]1(C)CC[N@H+](CC/C=C/CC)C1 ZINC001324640677 934537411 /nfs/dbraw/zinc/53/74/11/934537411.db2.gz FKUNNECFHSLRHQ-PDFOZTTASA-N 1 1 290.451 3.117 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](C)c2ccsc2)C1 ZINC001324646116 934538665 /nfs/dbraw/zinc/53/86/65/934538665.db2.gz GVGNKDXDWGRSDO-CZUORRHYSA-N 1 1 292.448 3.008 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@@H]1CCO[C@H]1C ZINC001473118707 937793062 /nfs/dbraw/zinc/79/30/62/937793062.db2.gz QSRIXEPGSPINRE-KBPBESRZSA-N 1 1 263.356 3.239 20 30 CGEDMO C#CC[N@@H+](CC#CC)CC[C@@H]1CCc2ccccc21 ZINC001473190060 937796752 /nfs/dbraw/zinc/79/67/52/937796752.db2.gz KFZFJTFTIGPRJB-KRWDZBQOSA-N 1 1 251.373 3.065 20 30 CGEDMO COc1ccc(C[C@H]2CC[N@H+]2Cc2ccc(C#N)cc2)cc1 ZINC001473218865 937798176 /nfs/dbraw/zinc/79/81/76/937798176.db2.gz NCHGZMKXYLKTLW-GOSISDBHSA-N 1 1 292.382 3.384 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1csc(NCC)n1 ZINC001473319037 937801882 /nfs/dbraw/zinc/80/18/82/937801882.db2.gz LFBAJUWCQPVEQZ-UHFFFAOYSA-N 1 1 291.420 3.399 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1csc(NCC)n1 ZINC001473319037 937801883 /nfs/dbraw/zinc/80/18/83/937801883.db2.gz LFBAJUWCQPVEQZ-UHFFFAOYSA-N 1 1 291.420 3.399 20 30 CGEDMO C[C@@H](C#N)C[N@H+](C[C@H](C)COCc1ccccc1)C1CC1 ZINC001473342592 937802264 /nfs/dbraw/zinc/80/22/64/937802264.db2.gz PARNIMOXRNJFBD-HOTGVXAUSA-N 1 1 286.419 3.463 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](C)C[C@H]1C(=O)OC ZINC001473409283 937805343 /nfs/dbraw/zinc/80/53/43/937805343.db2.gz CYAZUOVUYLEJBI-KGLIPLIRSA-N 1 1 255.402 3.230 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](C)C[C@H]1C(=O)OC ZINC001473409282 937805599 /nfs/dbraw/zinc/80/55/99/937805599.db2.gz CYAZUOVUYLEJBI-KBPBESRZSA-N 1 1 255.402 3.230 20 30 CGEDMO C=C(Cl)C[NH2+][C@H](CNC(=O)CC)c1ccccc1CC ZINC001325360102 934908034 /nfs/dbraw/zinc/90/80/34/934908034.db2.gz BNMCRKDIZDBSCM-OAHLLOKOSA-N 1 1 294.826 3.158 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCC ZINC001325899912 934937823 /nfs/dbraw/zinc/93/78/23/934937823.db2.gz OBVUZXFQWYBVIB-HOTGVXAUSA-N 1 1 278.440 3.208 20 30 CGEDMO CC#CC[N@H+]1CCC[C@H](C)[C@H]1CCNC(=O)OC(C)(C)C ZINC001473609269 937813767 /nfs/dbraw/zinc/81/37/67/937813767.db2.gz MOVPMMIMPXHJTC-LSDHHAIUSA-N 1 1 294.439 3.025 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)OCc2ccccc2)C1 ZINC001473627240 937814871 /nfs/dbraw/zinc/81/48/71/937814871.db2.gz HLZLRMUBHSPVMD-OAHLLOKOSA-N 1 1 273.376 3.018 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](CC(=O)OCc2ccccc2)C1 ZINC001473627240 937814873 /nfs/dbraw/zinc/81/48/73/937814873.db2.gz HLZLRMUBHSPVMD-OAHLLOKOSA-N 1 1 273.376 3.018 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H](NC(=O)C2CC3(CC3)C2)CC1 ZINC001327148954 935036224 /nfs/dbraw/zinc/03/62/24/935036224.db2.gz WRIWTQPZSYMVPV-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO COc1cc(C[NH2+]CC2(C#N)CCCCC2)ccc1F ZINC001327253359 935048744 /nfs/dbraw/zinc/04/87/44/935048744.db2.gz BLKBOOQSUGMIHT-UHFFFAOYSA-N 1 1 276.355 3.398 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1CC[N@H+](CCCCCC)[C@H](C)C1 ZINC001328242048 935126662 /nfs/dbraw/zinc/12/66/62/935126662.db2.gz VVLJXCMSWFEWDU-IAGOWNOFSA-N 1 1 292.467 3.339 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)C1(C2CC2)CC1 ZINC001328734075 935164233 /nfs/dbraw/zinc/16/42/33/935164233.db2.gz VENQKNIAPJMGFI-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)c1occc1C(C)C ZINC001328753173 935166795 /nfs/dbraw/zinc/16/67/95/935166795.db2.gz PKWHKSQWGXYLTM-CQSZACIVSA-N 1 1 290.407 3.125 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)C1(C)CCCCC1 ZINC001328763392 935167814 /nfs/dbraw/zinc/16/78/14/935167814.db2.gz CIXFODOCKBVKGP-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)C[C@@H](C)C1CC1 ZINC001328799644 935169696 /nfs/dbraw/zinc/16/96/96/935169696.db2.gz YIAHXEBBEVPOKN-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1ccccc1F ZINC001329376437 935210363 /nfs/dbraw/zinc/21/03/63/935210363.db2.gz QTGTZCUYPSEXLD-UONOGXRCSA-N 1 1 292.398 3.231 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)c1ccc2c(c1)CCC=C2 ZINC001329592959 935231090 /nfs/dbraw/zinc/23/10/90/935231090.db2.gz VYVUAAIOCWOVHL-HNNXBMFYSA-N 1 1 298.430 3.272 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)C1(F)CCCCC1 ZINC001329589802 935231297 /nfs/dbraw/zinc/23/12/97/935231297.db2.gz SNWVOVUYNBSQFI-AWEZNQCLSA-N 1 1 284.419 3.062 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)CCC(C)(C)C ZINC001329593244 935231978 /nfs/dbraw/zinc/23/19/78/935231978.db2.gz YWWCBLSMQIVOBH-LSDHHAIUSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CCC1(C(=O)NC[C@H](C)[N@H+](C)CC(C)C)CCCC1 ZINC001329626640 935235243 /nfs/dbraw/zinc/23/52/43/935235243.db2.gz AHMYNMQPEQJZRH-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO N#Cc1ccc(C[N@H+](CC2CCC(O)CC2)C2CC2)cc1 ZINC001329878110 935250415 /nfs/dbraw/zinc/25/04/15/935250415.db2.gz MSUOCQIEVDXFCA-UHFFFAOYSA-N 1 1 284.403 3.074 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@](C)(C=C)CC ZINC001329937078 935256037 /nfs/dbraw/zinc/25/60/37/935256037.db2.gz KSDOFIQJJXBRNQ-WBVHZDCISA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)C2(C)CCCC2)C(C)(C)C1 ZINC001330225023 935277541 /nfs/dbraw/zinc/27/75/41/935277541.db2.gz XGIWPOBJQNDOLV-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC(C)C)C[C@@H]2C1 ZINC001330468015 935289710 /nfs/dbraw/zinc/28/97/10/935289710.db2.gz OINQLXDXXHTFCX-YESZJQIVSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C[C@@H](OC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001331917544 935421807 /nfs/dbraw/zinc/42/18/07/935421807.db2.gz YGMITGJWRUUFJK-CWRNSKLLSA-N 1 1 273.376 3.187 20 30 CGEDMO N#CC1(C[NH2+][C@H]2CCc3nc(Cl)ccc32)CCCC1 ZINC001331983491 935430036 /nfs/dbraw/zinc/43/00/36/935430036.db2.gz GWFSIYNOFNEDAK-LBPRGKRZSA-N 1 1 275.783 3.396 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)C(CC)CC)CCC[C@@H]12 ZINC001332070087 935437344 /nfs/dbraw/zinc/43/73/44/935437344.db2.gz MVPRGVIUGOLLHR-NVXWUHKLSA-N 1 1 278.440 3.112 20 30 CGEDMO C#CCCCCCC(=O)N[C@@H]1CCC[N@@H+](CC(=C)C)[C@@H]1C ZINC001332197557 935448310 /nfs/dbraw/zinc/44/83/10/935448310.db2.gz CPMXWIMYSFUQGM-IAGOWNOFSA-N 1 1 290.451 3.115 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)CC2CC(C)(C)C2)CC1 ZINC001333393920 935532223 /nfs/dbraw/zinc/53/22/23/935532223.db2.gz DWCQNNUPYPBCEY-UHFFFAOYSA-N 1 1 290.451 3.137 20 30 CGEDMO N#Cc1cc(CN2CCC[N@H+](C3CCCC3)CC2)cs1 ZINC001333677791 935560641 /nfs/dbraw/zinc/56/06/41/935560641.db2.gz HBMKQAWMNCPNDC-UHFFFAOYSA-N 1 1 289.448 3.070 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc(CSC)cc2)C1 ZINC001333705354 936057660 /nfs/dbraw/zinc/05/76/60/936057660.db2.gz GUERDRXHOFTULL-MRXNPFEDSA-N 1 1 277.433 3.327 20 30 CGEDMO C[C@H]1CCc2nc(C[NH2+]Cc3ccc(C#N)cc3)sc2C1 ZINC001334786802 936114686 /nfs/dbraw/zinc/11/46/86/936114686.db2.gz MSRGNVSCLIDZCT-LBPRGKRZSA-N 1 1 297.427 3.429 20 30 CGEDMO CC(C)CCOCC[N@@H+](C)CCc1cccc(C#N)c1 ZINC001473732515 937819714 /nfs/dbraw/zinc/81/97/14/937819714.db2.gz SKTUHHWKFJBBDI-UHFFFAOYSA-N 1 1 274.408 3.095 20 30 CGEDMO N#CC1(CC[N@H+]2CC[C@H](c3ncccn3)C2)CCCCC1 ZINC001473832654 937824175 /nfs/dbraw/zinc/82/41/75/937824175.db2.gz MTCLRLJHXAYWNF-HNNXBMFYSA-N 1 1 284.407 3.130 20 30 CGEDMO C#CC1([NH2+]Cc2ncc(C(C)(C)C)s2)CCCC1 ZINC001474247169 937846026 /nfs/dbraw/zinc/84/60/26/937846026.db2.gz TXXSKSOOZWGFIA-UHFFFAOYSA-N 1 1 262.422 3.476 20 30 CGEDMO C=CCC[C@H]([NH2+][C@H]1CCc2ccccc2C1)C(=O)OCC ZINC001474528642 937864786 /nfs/dbraw/zinc/86/47/86/937864786.db2.gz SHCQMIQRGCREBP-IRXDYDNUSA-N 1 1 287.403 3.031 20 30 CGEDMO CC[C@H](C)[C@@H](C[N@@H+](C)CCc1cccc(C#N)c1)OC ZINC001474674048 937874458 /nfs/dbraw/zinc/87/44/58/937874458.db2.gz BQFCIUWKHCOSIV-WMLDXEAASA-N 1 1 274.408 3.094 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H](CC)C(C)C ZINC001479261268 937918381 /nfs/dbraw/zinc/91/83/81/937918381.db2.gz RAJPZKLTCDTHNW-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO CCCCCCCCCN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC001479378609 937920295 /nfs/dbraw/zinc/92/02/95/937920295.db2.gz ZETLYVXYRMROPW-JKSUJKDBSA-N 1 1 297.487 3.471 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)[C@H]1C ZINC001479717759 937924269 /nfs/dbraw/zinc/92/42/69/937924269.db2.gz JQJCSLMDRSMQMM-VQHPVUNQSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C2CCC2)CC(C)(C)C1 ZINC001479742374 937925006 /nfs/dbraw/zinc/92/50/06/937925006.db2.gz AOVJNHRILUPNSK-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCCNC(=O)[C@@H](F)c1ccccc1 ZINC001479799002 937925826 /nfs/dbraw/zinc/92/58/26/937925826.db2.gz NDIGEQRRMDGWMX-INIZCTEOSA-N 1 1 292.398 3.102 20 30 CGEDMO C=C(C)C[N@@H+](CCCNC(=O)c1ccsc1C)C1CC1 ZINC001479868984 937927942 /nfs/dbraw/zinc/92/79/42/937927942.db2.gz ONJAJEKNLNVPRG-UHFFFAOYSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CCC[N@H+](CC/C=C/CC)C1 ZINC001479909083 937928831 /nfs/dbraw/zinc/92/88/31/937928831.db2.gz XBXUWTZFNVZSPY-BIENSFFJSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[N@H+](C(C)C)C2)CCCCC1 ZINC001479971734 937930241 /nfs/dbraw/zinc/93/02/41/937930241.db2.gz HXUQFBCIONWEPI-OAHLLOKOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@H](C[N@H+](C)C[C@H](C)CC)C1 ZINC001480081845 937931890 /nfs/dbraw/zinc/93/18/90/937931890.db2.gz LUFUETTYIVZCGG-HZPDHXFCSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](CC)CCC)C1 ZINC001480085025 937932070 /nfs/dbraw/zinc/93/20/70/937932070.db2.gz LWRIZKFQWCMWRZ-CVEARBPZSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC=C(C)C ZINC001480179761 937933555 /nfs/dbraw/zinc/93/35/55/937933555.db2.gz NYLIMCAXSXBVEX-ALOPSCKCSA-N 1 1 290.451 3.421 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCCCC)C1 ZINC001480184024 937934068 /nfs/dbraw/zinc/93/40/68/937934068.db2.gz ISBQJXLPBWPSPG-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)C1(C)CC=CC1 ZINC001480325747 937936401 /nfs/dbraw/zinc/93/64/01/937936401.db2.gz YRXBZBKSNQKEPW-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)CC1(C)CC1 ZINC001480320991 937936408 /nfs/dbraw/zinc/93/64/08/937936408.db2.gz GABJRLZHWIIPIQ-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001480325963 937936520 /nfs/dbraw/zinc/93/65/20/937936520.db2.gz XWLQNQHVYTZSNU-BRWVUGGUSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001480740123 937943057 /nfs/dbraw/zinc/94/30/57/937943057.db2.gz VSPONZRPDWPDTL-CVEARBPZSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)c1c(C)coc1C ZINC001480821930 937944990 /nfs/dbraw/zinc/94/49/90/937944990.db2.gz HZNXIJFURIDSDT-OAHLLOKOSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C(C)(C)CC=C ZINC001480830084 937945400 /nfs/dbraw/zinc/94/54/00/937945400.db2.gz SHMKKCIYYAUDAO-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CC[N@@H+](CCCC(C)C)C1 ZINC001493232484 937948445 /nfs/dbraw/zinc/94/84/45/937948445.db2.gz FFULMXYFUUABFT-WMZOPIPTSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)[C@]1(C)CCC[C@H]1C ZINC001493313762 937949409 /nfs/dbraw/zinc/94/94/09/937949409.db2.gz HIDCQBSVTILRJC-NVXWUHKLSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)C2(CCF)CC2)C1 ZINC001493964374 937952353 /nfs/dbraw/zinc/95/23/53/937952353.db2.gz KWAPNPOHEWOOFF-HNNXBMFYSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N(CCC)[C@@H]1CC[N@@H+](CC(=C)C)C1 ZINC001493963436 937952361 /nfs/dbraw/zinc/95/23/61/937952361.db2.gz XGTGSBNYUGUHMR-DLBZAZTESA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H](C)C2CCC2)C1 ZINC001493956695 937952442 /nfs/dbraw/zinc/95/24/42/937952442.db2.gz NVVHEOOLBAFLOA-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001494047670 937953007 /nfs/dbraw/zinc/95/30/07/937953007.db2.gz KGNVNOULWPAZMJ-RRFJBIMHSA-N 1 1 298.858 3.003 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](CCNC(=O)C[C@H]2C=CCCC2)C1 ZINC001494027320 937953169 /nfs/dbraw/zinc/95/31/69/937953169.db2.gz DMIILHMKALJKQI-IRXDYDNUSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC[C@H](C[N@H+](C)CCCC)C1 ZINC001494154237 937953634 /nfs/dbraw/zinc/95/36/34/937953634.db2.gz MTQHIEADCRQDRX-JKSUJKDBSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCN(C(=O)C2(C)CCC(C)CC2)C1 ZINC001494177711 937953675 /nfs/dbraw/zinc/95/36/75/937953675.db2.gz AVCAGCOAWOQMDF-PQUAAJSLSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+](C)CC1CCN(C(=O)CC2CCCCC2)CC1 ZINC001494189652 937953704 /nfs/dbraw/zinc/95/37/04/937953704.db2.gz ZSACSVNFVCPAIL-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@H+](C)CC1CCN(C(=O)[C@H]2C[C@@H]2C(C)C)CC1 ZINC001494211004 937953882 /nfs/dbraw/zinc/95/38/82/937953882.db2.gz ZMKUAERVXGWZKV-SJORKVTESA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)C2(CC)CC2)C1 ZINC001494288173 937954058 /nfs/dbraw/zinc/95/40/58/937954058.db2.gz AIVUZEOULBXQMA-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)CCC(C)(C)C ZINC001494680256 937955841 /nfs/dbraw/zinc/95/58/41/937955841.db2.gz BRKGHRNGRACWBD-JYJNAYRXSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](CC3CCC3)C2)CCCC1 ZINC001494796660 937956423 /nfs/dbraw/zinc/95/64/23/937956423.db2.gz ZYXHSDIOADNAJI-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CCC(=O)N(C)[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001494824991 937956653 /nfs/dbraw/zinc/95/66/53/937956653.db2.gz JNOAYJYGSSAAAB-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H](CCCC)C(C)C)C1 ZINC001494925109 937957342 /nfs/dbraw/zinc/95/73/42/937957342.db2.gz OUVFRXIAAXIDQZ-SJORKVTESA-N 1 1 292.467 3.005 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H](CCCC)C(C)C)C1 ZINC001494925094 937957395 /nfs/dbraw/zinc/95/73/95/937957395.db2.gz OUVFRXIAAXIDQZ-DLBZAZTESA-N 1 1 292.467 3.005 20 30 CGEDMO C#CCC1(C(=O)N[C@@H](C)C[N@H+](C)CC(C)C)CCCCC1 ZINC001498466471 937969811 /nfs/dbraw/zinc/96/98/11/937969811.db2.gz WEDMOXJXFQDDGN-INIZCTEOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](F)CC1CCCCC1 ZINC001499099482 937972595 /nfs/dbraw/zinc/97/25/95/937972595.db2.gz DSOGURMYLHVPPY-HZPDHXFCSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CNC(=O)c1ccoc1C(C)C ZINC001499131092 937972768 /nfs/dbraw/zinc/97/27/68/937972768.db2.gz GSJRIMSUTUXAPL-AWEZNQCLSA-N 1 1 290.407 3.173 20 30 CGEDMO C=C(C)CCC(=O)N[C@@]1(C)CC[N@@H+](CCCCCF)C1 ZINC001500225425 937976608 /nfs/dbraw/zinc/97/66/08/937976608.db2.gz JVVIWGMFBKXDRE-INIZCTEOSA-N 1 1 284.419 3.063 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)/C=C\C(C)(C)C)C1 ZINC001500482496 937977600 /nfs/dbraw/zinc/97/76/00/937977600.db2.gz WRYPNMOOEDWADU-IQBZNYMQSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCCC(=O)NC[C@@]1(C)CCC[N@H+](CCC(=C)C)C1 ZINC001500482097 937977622 /nfs/dbraw/zinc/97/76/22/937977622.db2.gz OMIMLAKTOODNFJ-QGZVFWFLSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C)C2CCCC2)C1 ZINC001500547504 937978053 /nfs/dbraw/zinc/97/80/53/937978053.db2.gz WUDJTCDWJMXKGM-YJBOKZPZSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)CC)C[C@H]2C1 ZINC001501228652 937979157 /nfs/dbraw/zinc/97/91/57/937979157.db2.gz YCJXSONCTGVFCY-HRCADAONSA-N 1 1 292.467 3.168 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC ZINC001501368022 937979256 /nfs/dbraw/zinc/97/92/56/937979256.db2.gz AZKOUPGNPYFXFU-JKSUJKDBSA-N 1 1 280.456 3.432 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC(C)C ZINC001501374408 937979299 /nfs/dbraw/zinc/97/92/99/937979299.db2.gz QYZOWAZVBLLYAH-HZPDHXFCSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)CCCCCC)[C@@H]2C1 ZINC001501427327 937979423 /nfs/dbraw/zinc/97/94/23/937979423.db2.gz HMYHOCRQLQCTPE-DLBZAZTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC1(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CCC)CCC1 ZINC001501399710 937979606 /nfs/dbraw/zinc/97/96/06/937979606.db2.gz KHBQCNCUNTZVPL-CVEARBPZSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC001502123791 937981176 /nfs/dbraw/zinc/98/11/76/937981176.db2.gz DVMITGFZDBDOIR-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)C=C(C)C)CC1 ZINC001502107799 937981232 /nfs/dbraw/zinc/98/12/32/937981232.db2.gz RTEIVRWHZHCZSR-HZPDHXFCSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)CC)CC1 ZINC001502135861 937981631 /nfs/dbraw/zinc/98/16/31/937981631.db2.gz SQFYQZOGEGZPQY-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)c1ccc(C)c(F)c1 ZINC001502352061 937982190 /nfs/dbraw/zinc/98/21/90/937982190.db2.gz SIHCHEARASGVQR-UHFFFAOYSA-N 1 1 292.398 3.104 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC(C)=C(C)C)C2 ZINC001502543483 937982568 /nfs/dbraw/zinc/98/25/68/937982568.db2.gz HBMZSUHZLCUHFE-GOSISDBHSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)C[N@@H+]1Cc2ccc(CNC(=O)/C(C)=C/C)cc2C1 ZINC001502648498 937982785 /nfs/dbraw/zinc/98/27/85/937982785.db2.gz OBZGMEDBIZZQKX-LHHJGKSTSA-N 1 1 284.403 3.161 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)CCCC)C[C@H]1C ZINC001502903712 937983649 /nfs/dbraw/zinc/98/36/49/937983649.db2.gz SXGFEGJCWCIYRV-HUUCEWRRSA-N 1 1 266.429 3.112 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)CCCC)C[C@@H]1C ZINC001502903713 937983706 /nfs/dbraw/zinc/98/37/06/937983706.db2.gz SXGFEGJCWCIYRV-LSDHHAIUSA-N 1 1 266.429 3.112 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2cccs2)C[C@H]1C ZINC001502900772 937983733 /nfs/dbraw/zinc/98/37/33/937983733.db2.gz VCSMIUPDGSXBNG-ZIAGYGMSSA-N 1 1 292.448 3.297 20 30 CGEDMO C=CCCCC(=O)N1CCC(C[N@H+](CC)CCC)CC1 ZINC001505398449 937984849 /nfs/dbraw/zinc/98/48/49/937984849.db2.gz IYBGIFQLMWATFR-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)C1CC=CC1 ZINC001505425268 937985270 /nfs/dbraw/zinc/98/52/70/937985270.db2.gz AEGGNAOLXUWMKA-NVXWUHKLSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001505438991 937985521 /nfs/dbraw/zinc/98/55/21/937985521.db2.gz STOSAJLATATYQB-ARFHVFGLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001505924154 937987868 /nfs/dbraw/zinc/98/78/68/937987868.db2.gz JNGPXZBRPSDLSO-HOTGVXAUSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001505925778 937987920 /nfs/dbraw/zinc/98/79/20/937987920.db2.gz ZZECAVPBPTUSOP-HZPDHXFCSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)c1c[nH]c2ccccc12 ZINC001505956731 937988170 /nfs/dbraw/zinc/98/81/70/937988170.db2.gz FWNJWOYAQGLLIA-AWEZNQCLSA-N 1 1 299.418 3.184 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)c1ccc(C)cc1Cl ZINC001506005824 937988599 /nfs/dbraw/zinc/98/85/99/937988599.db2.gz JBGOBJKNBMUVPB-CYBMUJFWSA-N 1 1 294.826 3.275 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)c1c[nH]c2ccc(C)cc12 ZINC001506065366 937989145 /nfs/dbraw/zinc/98/91/45/937989145.db2.gz NTLZDAFEKJCMDI-CQSZACIVSA-N 1 1 299.418 3.103 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(CC)CC)[C@@H]2C1 ZINC001506827050 937991916 /nfs/dbraw/zinc/99/19/16/937991916.db2.gz ASAZNBJHMOSICY-PHZGNYQRSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@H](CC)CCC)CCC[C@@H]12 ZINC001507353142 937995295 /nfs/dbraw/zinc/99/52/95/937995295.db2.gz SZGAVNKYAQZFGD-BFYDXBDKSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CCC[N@@H+](CCC2CC2)[C@@H]1C ZINC001507377086 937995460 /nfs/dbraw/zinc/99/54/60/937995460.db2.gz SFSKQNVWTWUHCO-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)[C@@H]1CCC[C@@H](F)C1)C(C)C ZINC001507788327 937996784 /nfs/dbraw/zinc/99/67/84/937996784.db2.gz SJWZSRIJESDTQY-HZPDHXFCSA-N 1 1 298.446 3.260 20 30 CGEDMO CC#CCCCC(=O)N(CC[N@@H+](C)CC1CCC1)C(C)C ZINC001507829243 937996880 /nfs/dbraw/zinc/99/68/80/937996880.db2.gz XMOKHHZLBUWGIJ-UHFFFAOYSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CNC(=O)[C@H](C)C2CCC2)CC1 ZINC001508209671 937998827 /nfs/dbraw/zinc/99/88/27/937998827.db2.gz YLBYLDBEGMVTKQ-OAHLLOKOSA-N 1 1 290.451 3.137 20 30 CGEDMO COCC#CC[N@@H+](Cc1ccccc1)C1CCCCC1 ZINC001559495157 938227573 /nfs/dbraw/zinc/22/75/73/938227573.db2.gz XNMVDBVWJCSSOH-UHFFFAOYSA-N 1 1 271.404 3.471 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2CC)cc1 ZINC001559497222 938227650 /nfs/dbraw/zinc/22/76/50/938227650.db2.gz ODGNDYDRDXMFPK-KRWDZBQOSA-N 1 1 284.403 3.261 20 30 CGEDMO C#CCCCCCC[N@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC001559779616 938235423 /nfs/dbraw/zinc/23/54/23/938235423.db2.gz CQHJESBORIRCNK-HZPDHXFCSA-N 1 1 251.414 3.053 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)C[C@@H]1CC(C)(C)OC1(C)C ZINC001559797339 938236033 /nfs/dbraw/zinc/23/60/33/938236033.db2.gz NMCYJNAIIFKHDG-HNNXBMFYSA-N 1 1 282.472 3.020 20 30 CGEDMO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@](C)(c2ccccc2)CC1 ZINC001559831440 938236666 /nfs/dbraw/zinc/23/66/66/938236666.db2.gz SQSZOZBLLFCNOS-WMZOPIPTSA-N 1 1 287.403 3.158 20 30 CGEDMO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@](C)(c2ccccc2)CC1 ZINC001559831440 938236667 /nfs/dbraw/zinc/23/66/67/938236667.db2.gz SQSZOZBLLFCNOS-WMZOPIPTSA-N 1 1 287.403 3.158 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC001559865202 938237761 /nfs/dbraw/zinc/23/77/61/938237761.db2.gz ILUTXIPPMPOPLI-JQWIXIFHSA-N 1 1 265.319 3.383 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H]1c1ccccc1 ZINC001560133261 938244853 /nfs/dbraw/zinc/24/48/53/938244853.db2.gz SGCGGYYQJZJTPZ-BHYGNILZSA-N 1 1 259.393 3.397 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C(=O)OC)c(Cl)c1)C(C)(C)C ZINC001560156313 938245555 /nfs/dbraw/zinc/24/55/55/938245555.db2.gz JWNOWZYYKVEFEK-UHFFFAOYSA-N 1 1 293.794 3.360 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2[C@@H](C)c2ccccc2)C1=O ZINC001560163718 938245567 /nfs/dbraw/zinc/24/55/67/938245567.db2.gz YZWWFTUKNFQNIE-SZMVWBNQSA-N 1 1 298.430 3.041 20 30 CGEDMO C=CCCC[N@H+](CC)[C@@H](C(=O)OC(C)(C)C)C1CC1 ZINC001560204561 938246949 /nfs/dbraw/zinc/24/69/49/938246949.db2.gz PZONOQVSVVFCGP-CQSZACIVSA-N 1 1 267.413 3.395 20 30 CGEDMO C=CC[C@@H]([NH2+]Cc1c(Cl)ncn1CC)c1ccncc1 ZINC001560338501 938253939 /nfs/dbraw/zinc/25/39/39/938253939.db2.gz AIIHPTBXUFWXFR-CYBMUJFWSA-N 1 1 290.798 3.358 20 30 CGEDMO C#CC[N@H+](CC)Cc1cc2nc(Cl)ccc2s1 ZINC001560699458 938270697 /nfs/dbraw/zinc/27/06/97/938270697.db2.gz UFCLFHFASVTAIU-UHFFFAOYSA-N 1 1 264.781 3.405 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC001560906479 938283219 /nfs/dbraw/zinc/28/32/19/938283219.db2.gz KYYLIAREENTFCT-DIECRNLCSA-N 1 1 261.315 3.323 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1ccc(C2CCC2)cc1 ZINC001560945576 938285576 /nfs/dbraw/zinc/28/55/76/938285576.db2.gz DKLIMLMODIUJTI-UHFFFAOYSA-N 1 1 271.404 3.426 20 30 CGEDMO C=C(C)C[C@H]([NH2+][C@@H]1CCC[C@@H](SC)C1)C(=O)OCC ZINC001560987537 938288248 /nfs/dbraw/zinc/28/82/48/938288248.db2.gz YXGXBQMEVWOCHM-MCIONIFRSA-N 1 1 285.453 3.148 20 30 CGEDMO C=CCCCCNC(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001563736308 938304702 /nfs/dbraw/zinc/30/47/02/938304702.db2.gz SLLBZYHRDLBYHD-XHSDSOJGSA-N 1 1 295.471 3.008 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(CC)CC)C[C@@H]2C1 ZINC001485658792 957827887 /nfs/dbraw/zinc/82/78/87/957827887.db2.gz YHBJUBYTWFRUBN-ARFHVFGLSA-N 1 1 292.467 3.215 20 30 CGEDMO C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H](C)C(C)(C)C ZINC001158787415 958833534 /nfs/dbraw/zinc/83/35/34/958833534.db2.gz SHIACCZMYFSWQB-HZPDHXFCSA-N 1 1 292.467 3.005 20 30 CGEDMO C#C[C@H]1CCC[N@H+](C(C)(C)c2ccnc(Cl)c2)C1 ZINC001165137718 958842046 /nfs/dbraw/zinc/84/20/46/958842046.db2.gz XDVKXTOGAFBYBR-LBPRGKRZSA-N 1 1 262.784 3.315 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCCC ZINC001323674338 960437267 /nfs/dbraw/zinc/43/72/67/960437267.db2.gz XCOTYJGDGWIAFF-CVEARBPZSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)[C@@H]1CCCC[C@H]1C)C(C)C ZINC001571614369 960472257 /nfs/dbraw/zinc/47/22/57/960472257.db2.gz FPODDWGZVYICDD-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@@H](C[N@@H+](C)CC(C)C)C1 ZINC001567736820 960598488 /nfs/dbraw/zinc/59/84/88/960598488.db2.gz PSGKQTRKPUTMNK-RDJZCZTQSA-N 1 1 280.456 3.025 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)CC=C)C1 ZINC001567738363 960600120 /nfs/dbraw/zinc/60/01/20/960600120.db2.gz OSBFXLBWHFEHEQ-MRXNPFEDSA-N 1 1 292.467 3.335 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)CC ZINC001565824720 960829403 /nfs/dbraw/zinc/82/94/03/960829403.db2.gz LSEZSQSJMIDWKC-HUUCEWRRSA-N 1 1 280.456 3.310 20 30 CGEDMO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)C1(CC(C)C)CCCC1 ZINC001565830054 960837309 /nfs/dbraw/zinc/83/73/09/960837309.db2.gz RASVZLABSVQIQT-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(CC(C)C)CCCC1 ZINC001565830054 960837330 /nfs/dbraw/zinc/83/73/30/960837330.db2.gz RASVZLABSVQIQT-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@H](C)CC)[C@H]1CC ZINC001566010653 960864458 /nfs/dbraw/zinc/86/44/58/960864458.db2.gz MVZNQSXIHAJXIJ-KWCYVHTRSA-N 1 1 286.847 3.144 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@H](C)CC)[C@H]1CC ZINC001566010653 960864467 /nfs/dbraw/zinc/86/44/67/960864467.db2.gz MVZNQSXIHAJXIJ-KWCYVHTRSA-N 1 1 286.847 3.144 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1C[C@@H]2C[N@@H+](CCCC)CC[C@@H]2C1 ZINC001566048396 960870755 /nfs/dbraw/zinc/87/07/55/960870755.db2.gz MBGUZCOCRBGZCV-BBWFWOEESA-N 1 1 292.467 3.169 20 30 CGEDMO C#CCCCC(=O)N1CCCC[C@H]1C[N@H+](C)C[C@H](C)CC ZINC001566119546 960875447 /nfs/dbraw/zinc/87/54/47/960875447.db2.gz LEAAICCCJHLSAD-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCNC(=O)[C@@H](C)c1cccs1 ZINC001566491099 960934755 /nfs/dbraw/zinc/93/47/55/960934755.db2.gz NJRXBLVUKYGADN-AWEZNQCLSA-N 1 1 294.464 3.256 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](F)CC2CCCCC2)C1 ZINC001566633101 960979385 /nfs/dbraw/zinc/97/93/85/960979385.db2.gz OFSFWGXWRHXLRC-CVEARBPZSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H](C[N@H+](C)CC/C=C\CC)C1 ZINC001566734780 960996605 /nfs/dbraw/zinc/99/66/05/960996605.db2.gz AEZVZGSYPAEYDZ-QLBOMPFWSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)/C(C)=C\C)C1 ZINC001566824813 961023615 /nfs/dbraw/zinc/02/36/15/961023615.db2.gz NCDGHNOWQVLXPR-PACMQTEUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H](CNC(=O)c2ccsc2)C1 ZINC001566866416 961033477 /nfs/dbraw/zinc/03/34/77/961033477.db2.gz YBVNHQPYHXHJAN-CQSZACIVSA-N 1 1 292.448 3.156 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)C(C)C ZINC001566927127 961060117 /nfs/dbraw/zinc/06/01/17/961060117.db2.gz KUNCLMQCXCVVBK-HOTGVXAUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]([N@H+](C)CC/C=C\CC)C1 ZINC001567189047 961135314 /nfs/dbraw/zinc/13/53/14/961135314.db2.gz YVOJUBCBUFPNIO-QKIRZYONSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)CCCC#CC)C1 ZINC001567195901 961138063 /nfs/dbraw/zinc/13/80/63/961138063.db2.gz DJEUMSRPZSOSEB-KRWDZBQOSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C1(C)CCCC1 ZINC001567257596 961152531 /nfs/dbraw/zinc/15/25/31/961152531.db2.gz PIPFHIPGNMXORT-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H]1CCCNC(=O)C=C1CCC1 ZINC001567247164 961152747 /nfs/dbraw/zinc/15/27/47/961152747.db2.gz JOTXEMVFZVEZCH-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO CC#CC[N@H+](C)CCNC(=O)C1CCC(CCCC)CC1 ZINC001567318474 961283460 /nfs/dbraw/zinc/28/34/60/961283460.db2.gz SXKRZHMXPOHCAG-UHFFFAOYSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H]1CNC(=O)CCC1CCCC1 ZINC001567357521 961293002 /nfs/dbraw/zinc/29/30/02/961293002.db2.gz AHGSGQQEZPEASB-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](CNC(=O)C#CC(C)C)C1 ZINC001567400255 961326438 /nfs/dbraw/zinc/32/64/38/961326438.db2.gz ITTFLQAQQUOCTG-KRWDZBQOSA-N 1 1 292.467 3.054 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](CC)CCCCC)C1 ZINC001567419840 961330593 /nfs/dbraw/zinc/33/05/93/961330593.db2.gz VOCHWKJYRPYKOI-IRXDYDNUSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCCC[N@@H+](CCNC(=O)C1=CCCCCC1)C1CC1 ZINC001567439944 961331640 /nfs/dbraw/zinc/33/16/40/961331640.db2.gz LYJFWLGZTQFPEO-UHFFFAOYSA-N 1 1 290.451 3.424 20 30 CGEDMO C#CCC[N@@H+](CCC)CCNC(=O)c1cccc(C2CC2)c1 ZINC001567433372 961333882 /nfs/dbraw/zinc/33/38/82/961333882.db2.gz ZPNHMCXIXODCKL-UHFFFAOYSA-N 1 1 298.430 3.029 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](N(CCC)C(=O)CC(CC)CC)C1 ZINC001567689604 961404480 /nfs/dbraw/zinc/40/44/80/961404480.db2.gz WCJOLGROSCSUHY-KRWDZBQOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)CC2(C)CC2)C1 ZINC001567733142 961415776 /nfs/dbraw/zinc/41/57/76/961415776.db2.gz MEIIVOVNHVQTEU-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCC(C[N@@H+](C)CC=C)CC1 ZINC001567747301 961416754 /nfs/dbraw/zinc/41/67/54/961416754.db2.gz XZFBTXSCAOVGMK-UHFFFAOYSA-N 1 1 290.451 3.111 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001567735673 961417122 /nfs/dbraw/zinc/41/71/22/961417122.db2.gz FFUOPGDGVREHEM-CVEARBPZSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)c2ccoc2C)C1 ZINC001567868426 961440390 /nfs/dbraw/zinc/44/03/90/961440390.db2.gz VCLZLSQAGSLKCB-HNNXBMFYSA-N 1 1 290.407 3.139 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCC1CCN(C(=O)C(C)(C)F)CC1 ZINC001568435763 961575521 /nfs/dbraw/zinc/57/55/21/961575521.db2.gz PPIXHBUWQRINPB-UHFFFAOYSA-N 1 1 298.446 3.261 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)c1cccc(C)c1 ZINC001568472795 961583664 /nfs/dbraw/zinc/58/36/64/961583664.db2.gz BHBPPHSMSBASFW-MRXNPFEDSA-N 1 1 288.435 3.354 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)CC1CCCCCC1 ZINC001568497041 961592949 /nfs/dbraw/zinc/59/29/49/961592949.db2.gz SFGIBHCTKJBLAZ-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCCC)CC[C@@H]21 ZINC001568508600 961605373 /nfs/dbraw/zinc/60/53/73/961605373.db2.gz NMZKSJDGRIJHMZ-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@H+](C)CCN(C)C(=O)[C@@H](C)c1cccc(Cl)c1 ZINC001568506047 961606638 /nfs/dbraw/zinc/60/66/38/961606638.db2.gz IKSXWIKXSGTLKV-ZDUSSCGKSA-N 1 1 294.826 3.020 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCCCC)C1 ZINC001568513226 961607413 /nfs/dbraw/zinc/60/74/13/961607413.db2.gz IPULGKPTWBQSFR-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)c1ccsc1C ZINC001569356198 961736395 /nfs/dbraw/zinc/73/63/95/961736395.db2.gz SGRIQNMGMPGPIL-GXTWGEPZSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@H]1CC[N@H+]1CC1=CCCCC1 ZINC001569375382 961751766 /nfs/dbraw/zinc/75/17/66/961751766.db2.gz XXAPMDFHOHIXHV-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(CCCC)CC1 ZINC001569447075 961765756 /nfs/dbraw/zinc/76/57/56/961765756.db2.gz OILFKTFNMMEKQA-CVEARBPZSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC[C@@]2(C1)CCC[N@H+](C(C)C)C2 ZINC001569467564 961780089 /nfs/dbraw/zinc/78/00/89/961780089.db2.gz PJPAOGWPCFBVBH-WMZOPIPTSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCC(=O)N1CC[C@]2(CC[N@H+](CCC(=C)C)C2)C1 ZINC001569479488 961780841 /nfs/dbraw/zinc/78/08/41/961780841.db2.gz XFHZZOXFWHBJBU-SFHVURJKSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCCCC(=O)N1CC[C@@]2(CC[N@H+](CCC(=C)C)C2)C1 ZINC001569479487 961782967 /nfs/dbraw/zinc/78/29/67/961782967.db2.gz XFHZZOXFWHBJBU-GOSISDBHSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCCC ZINC001569619192 961803488 /nfs/dbraw/zinc/80/34/88/961803488.db2.gz FDOZJDQPLUONEQ-CVEARBPZSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](C)C2CCCC2)C1 ZINC001569650759 961807058 /nfs/dbraw/zinc/80/70/58/961807058.db2.gz HPYDRYMLYUEZRH-CRAIPNDOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)C2CCCC2)C1 ZINC001569650761 961811300 /nfs/dbraw/zinc/81/13/00/961811300.db2.gz HPYDRYMLYUEZRH-QAPCUYQASA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)CC(C)C)C1 ZINC001569708524 961832016 /nfs/dbraw/zinc/83/20/16/961832016.db2.gz BKHYVNPNIRJVCP-KRWDZBQOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC(=C)C)C2 ZINC001569796146 961836744 /nfs/dbraw/zinc/83/67/44/961836744.db2.gz UYMBRMPHZFDGTF-BBWFWOEESA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@]2(C)C=CCC2)C1 ZINC001569720376 961840464 /nfs/dbraw/zinc/84/04/64/961840464.db2.gz OYDVTWJERCWOEC-ROUUACIJSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCCF ZINC001569909243 961871824 /nfs/dbraw/zinc/87/18/24/961871824.db2.gz BLLAQGNFMMZJPV-HUUCEWRRSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]2C[N@@H+](CC3CCC3)C[C@H]21 ZINC001569920248 961872973 /nfs/dbraw/zinc/87/29/73/961872973.db2.gz OSKSVFUCHAAAJB-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H](C)CC ZINC001569906255 961878656 /nfs/dbraw/zinc/87/86/56/961878656.db2.gz JCFMCJBUNNUTEC-ARFHVFGLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](C)CC(C)C)CC1 ZINC001570185055 961924895 /nfs/dbraw/zinc/92/48/95/961924895.db2.gz DFNCBXCDOZOSAN-HZPDHXFCSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC23CCC3)CC1 ZINC001570184191 961926896 /nfs/dbraw/zinc/92/68/96/961926896.db2.gz YSJUIZITTUPJDH-HZPDHXFCSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)C1CCC(=C)CC1 ZINC001570207708 961931744 /nfs/dbraw/zinc/93/17/44/961931744.db2.gz ZIULWDDKXHFHFL-UHFFFAOYSA-N 1 1 278.440 3.089 20 30 CGEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)CCCCC(C)C)C[C@H]1C ZINC001570444039 961968664 /nfs/dbraw/zinc/96/86/64/961968664.db2.gz AXGVQPFGVUDRSO-IAGOWNOFSA-N 1 1 292.467 3.195 20 30 CGEDMO C#CCCCCCC(=O)N[C@@H]1CC[N@H+](CCCC)[C@@H](C)C1 ZINC001570440718 961969401 /nfs/dbraw/zinc/96/94/01/961969401.db2.gz OEWWIRDTLURJHB-DLBZAZTESA-N 1 1 292.467 3.339 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)C(C)=C2CCC2)C[C@@H]1C ZINC001570433953 961969737 /nfs/dbraw/zinc/96/97/37/961969737.db2.gz DGGDBOXSHTZZSK-WMLDXEAASA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)CC[N@H+](CC)CC1CCN(C(=O)[C@H]2C[C@H]2C)CC1 ZINC001570499055 961974808 /nfs/dbraw/zinc/97/48/08/961974808.db2.gz AYOKFAZMGMGHRV-WBVHZDCISA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@@H]1C=CCCC1 ZINC001570534224 961993937 /nfs/dbraw/zinc/99/39/37/961993937.db2.gz FHCJYQLIVWPMPE-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C=C)c1ccccc1 ZINC001570547540 961995878 /nfs/dbraw/zinc/99/58/78/961995878.db2.gz FDWQDKDMYPGMDC-ZWKOTPCHSA-N 1 1 298.430 3.065 20 30 CGEDMO C=CCCC(=O)NC[C@H](C)[N@@H+](C)[C@@H](C)c1cccc(C)c1 ZINC001570700896 962047554 /nfs/dbraw/zinc/04/75/54/962047554.db2.gz YHLUZRBPKNSQFK-HOTGVXAUSA-N 1 1 288.435 3.459 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@H](C)[N@@H+](C)CC1CCCC1 ZINC001570729881 962056168 /nfs/dbraw/zinc/05/61/68/962056168.db2.gz GDDDISXFISWRBF-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)C[C@H](C)c1ccco1 ZINC001570748090 962070763 /nfs/dbraw/zinc/07/07/63/962070763.db2.gz ROQWVXVYEMPZNA-LSDHHAIUSA-N 1 1 292.423 3.176 20 30 CGEDMO C#CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](CCC)CC1CCCC1 ZINC001570739686 962076730 /nfs/dbraw/zinc/07/67/30/962076730.db2.gz GIANKUVCANQFEJ-RDJZCZTQSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C=C(C)C)C[C@H]2C1 ZINC001571007266 962108977 /nfs/dbraw/zinc/10/89/77/962108977.db2.gz CQJMAECPJVVGHU-ULQDDVLXSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)CC(C)(C)C)[C@H]1C ZINC001571515554 962166910 /nfs/dbraw/zinc/16/69/10/962166910.db2.gz UAPKZHDTVHYXLQ-HUUCEWRRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C=C(CC)CC)[C@@H]1C ZINC001571517245 962167720 /nfs/dbraw/zinc/16/77/20/962167720.db2.gz PTEKPPOJKZETHV-GOEBONIOSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C(C)CC[N@H+]1CCOC[C@@H]1C[C@H]1CNc2ccccc21 ZINC001574834444 962326289 /nfs/dbraw/zinc/32/62/89/962326289.db2.gz CBDVVQWMUQYBAV-HOTGVXAUSA-N 1 1 286.419 3.253 20 30 CGEDMO CC[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCOC1 ZINC000589748116 346810372 /nfs/dbraw/zinc/81/03/72/346810372.db2.gz QDUNTRGUQQJADM-MRXNPFEDSA-N 1 1 272.392 3.099 20 30 CGEDMO CC[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C[C@@H](C)OC ZINC000589753393 346810442 /nfs/dbraw/zinc/81/04/42/346810442.db2.gz WOZDPQVGAIWFFQ-CQSZACIVSA-N 1 1 274.408 3.345 20 30 CGEDMO CC[C@@H]1CC[C@H](C)[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000124638824 187146367 /nfs/dbraw/zinc/14/63/67/187146367.db2.gz PSEBUTACNHMMSL-XJKSGUPXSA-N 1 1 285.391 3.150 20 30 CGEDMO Cc1cnc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)cn1 ZINC000589971081 346819629 /nfs/dbraw/zinc/81/96/29/346819629.db2.gz JGESERXZWVUMRW-OLZOCXBDSA-N 1 1 266.348 3.069 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cncc(OCC)c2)C1 ZINC000621732051 349572141 /nfs/dbraw/zinc/57/21/41/349572141.db2.gz LQSHXJKHSWYKOV-AWEZNQCLSA-N 1 1 260.381 3.268 20 30 CGEDMO C[C@@H](Nc1[nH+]c2ccc(F)cc2n1C)c1cccc(C#N)c1 ZINC000590060876 346824160 /nfs/dbraw/zinc/82/41/60/346824160.db2.gz DPNCUKDZECLQML-LLVKDONJSA-N 1 1 294.333 3.179 20 30 CGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000590202717 346836518 /nfs/dbraw/zinc/83/65/18/346836518.db2.gz MJIHNCVSHPNJPM-CJNGLKHVSA-N 1 1 297.402 3.007 20 30 CGEDMO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc3cncn3c2)C1 ZINC000651829281 398295115 /nfs/dbraw/zinc/29/51/15/398295115.db2.gz WRBQJLICQCSGFR-UKRRQHHQSA-N 1 1 255.365 3.169 20 30 CGEDMO C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cc(C#N)ccc32)c2nccn21 ZINC000590778438 346875213 /nfs/dbraw/zinc/87/52/13/346875213.db2.gz FTIZJVOGTFFASQ-XFBWCDHKSA-N 1 1 278.359 3.038 20 30 CGEDMO CCn1ccnc1[C@H](C)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000590778630 346875252 /nfs/dbraw/zinc/87/52/52/346875252.db2.gz OHWVTNHMDILSSY-NSHDSACASA-N 1 1 288.782 3.279 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCCc2c1cnn2C ZINC000187694630 542246456 /nfs/dbraw/zinc/24/64/56/542246456.db2.gz GJLFSMTZKNLQGN-HNNXBMFYSA-N 1 1 261.413 3.476 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000591013292 346894139 /nfs/dbraw/zinc/89/41/39/346894139.db2.gz WOCJZDNIGNEHKL-HOCLYGCPSA-N 1 1 258.365 3.142 20 30 CGEDMO C[C@@H](CCC#N)[N@@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000591031626 346895996 /nfs/dbraw/zinc/89/59/96/346895996.db2.gz RPYRLOHBNWQOOF-UONOGXRCSA-N 1 1 275.371 3.028 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000591031626 346896000 /nfs/dbraw/zinc/89/60/00/346896000.db2.gz RPYRLOHBNWQOOF-UONOGXRCSA-N 1 1 275.371 3.028 20 30 CGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H](C3CCC3)C2)cc1 ZINC000591061909 346897370 /nfs/dbraw/zinc/89/73/70/346897370.db2.gz NTYULPANXYTBRH-INIZCTEOSA-N 1 1 297.402 3.009 20 30 CGEDMO CC[C@@H](F)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000440796948 529551633 /nfs/dbraw/zinc/55/16/33/529551633.db2.gz XYAKGAHNESJLDL-MRXNPFEDSA-N 1 1 258.340 3.395 20 30 CGEDMO CCCC[N@@H+](CC)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000351976526 136384764 /nfs/dbraw/zinc/38/47/64/136384764.db2.gz BWIWQMOQIKHNRH-QGZVFWFLSA-N 1 1 299.418 3.176 20 30 CGEDMO CCc1nc(C)c(C[NH2+]C2(c3cccc(C#N)c3)CC2)o1 ZINC000428325568 529725366 /nfs/dbraw/zinc/72/53/66/529725366.db2.gz HGNVYRDZGSJZHS-UHFFFAOYSA-N 1 1 281.359 3.196 20 30 CGEDMO C[N@H+](Cc1ccncc1C#N)[C@H]1CCc2ccccc21 ZINC000592059363 346958114 /nfs/dbraw/zinc/95/81/14/346958114.db2.gz LHZRSCVSOWQPDH-KRWDZBQOSA-N 1 1 263.344 3.073 20 30 CGEDMO C[N@@H+](Cc1ccncc1C#N)[C@H]1CCc2ccccc21 ZINC000592059363 346958117 /nfs/dbraw/zinc/95/81/17/346958117.db2.gz LHZRSCVSOWQPDH-KRWDZBQOSA-N 1 1 263.344 3.073 20 30 CGEDMO CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592150786 346967034 /nfs/dbraw/zinc/96/70/34/346967034.db2.gz IYCHXTNFGNXROT-LSDHHAIUSA-N 1 1 278.783 3.142 20 30 CGEDMO C[C@@H](c1cccc2ccccc21)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151429 346967822 /nfs/dbraw/zinc/96/78/22/346967822.db2.gz OUPXTSQYBPPZNX-KSSFIOAISA-N 1 1 280.371 3.251 20 30 CGEDMO C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151428 346967881 /nfs/dbraw/zinc/96/78/81/346967881.db2.gz OUPXTSQYBPPZNX-KDOFPFPSSA-N 1 1 280.371 3.251 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)o1 ZINC000126944423 187271537 /nfs/dbraw/zinc/27/15/37/187271537.db2.gz XAAMOGXXSCJVPM-AWEZNQCLSA-N 1 1 284.334 3.355 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)CC2(CCCC2)O1 ZINC000592195342 346971406 /nfs/dbraw/zinc/97/14/06/346971406.db2.gz RNJPTKWBTKVNFS-CYBMUJFWSA-N 1 1 288.366 3.231 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)CC2(CCCC2)O1 ZINC000592195342 346971407 /nfs/dbraw/zinc/97/14/07/346971407.db2.gz RNJPTKWBTKVNFS-CYBMUJFWSA-N 1 1 288.366 3.231 20 30 CGEDMO CC[N@@H+](CCSC)Cc1ccc(C#N)cc1Cl ZINC000592205271 346973041 /nfs/dbraw/zinc/97/30/41/346973041.db2.gz YJTMPHGYVPMKKY-UHFFFAOYSA-N 1 1 268.813 3.397 20 30 CGEDMO CCCC[N@@H+](CC1(C#N)CC1)[C@H]1CCc2ncsc2C1 ZINC000592189834 346970363 /nfs/dbraw/zinc/97/03/63/346970363.db2.gz XFYNOZWKDSUGOX-ZDUSSCGKSA-N 1 1 289.448 3.406 20 30 CGEDMO CC(C)C[C@@H]1CCCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000592500501 346993960 /nfs/dbraw/zinc/99/39/60/346993960.db2.gz ZSORGJWRMAMHBX-INIZCTEOSA-N 1 1 297.406 3.002 20 30 CGEDMO CC(C)[C@@H]1[N@H+](Cc2nc(C#N)cs2)CC12CC=CC2 ZINC000592526066 346996166 /nfs/dbraw/zinc/99/61/66/346996166.db2.gz GRDYPLICTCXGOV-AWEZNQCLSA-N 1 1 273.405 3.191 20 30 CGEDMO CC(C)[C@@H]1[N@@H+](Cc2nc(C#N)cs2)CC12CC=CC2 ZINC000592526066 346996168 /nfs/dbraw/zinc/99/61/68/346996168.db2.gz GRDYPLICTCXGOV-AWEZNQCLSA-N 1 1 273.405 3.191 20 30 CGEDMO C[C@H]1C[N@H+](Cc2ccc(C#N)s2)CC2(CCCC2)O1 ZINC000592528726 346997441 /nfs/dbraw/zinc/99/74/41/346997441.db2.gz AXDNGTXXCXEDGF-LBPRGKRZSA-N 1 1 276.405 3.153 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)s2)CC2(CCCC2)O1 ZINC000592528726 346997447 /nfs/dbraw/zinc/99/74/47/346997447.db2.gz AXDNGTXXCXEDGF-LBPRGKRZSA-N 1 1 276.405 3.153 20 30 CGEDMO C[N@@H+](CCCNc1ccc(C#N)cc1)Cc1ccccc1 ZINC000019867565 529891872 /nfs/dbraw/zinc/89/18/72/529891872.db2.gz NPFWEGCSXUBIIN-UHFFFAOYSA-N 1 1 279.387 3.492 20 30 CGEDMO CN(CC[C@H]1CCCC[N@H+]1C)Cc1ccc(F)cc1C#N ZINC000173947141 529931554 /nfs/dbraw/zinc/93/15/54/529931554.db2.gz QELFIIUYOWHVGN-QGZVFWFLSA-N 1 1 289.398 3.004 20 30 CGEDMO CC[C@H](OCC[N@H+](C)[C@H](C)CC#N)c1ccccc1 ZINC000593015097 347028030 /nfs/dbraw/zinc/02/80/30/347028030.db2.gz MQADVUOYVIPXEH-ZBFHGGJFSA-N 1 1 260.381 3.388 20 30 CGEDMO CC[C@H](OCC[N@@H+](C)[C@H](C)CC#N)c1ccccc1 ZINC000593015097 347028031 /nfs/dbraw/zinc/02/80/31/347028031.db2.gz MQADVUOYVIPXEH-ZBFHGGJFSA-N 1 1 260.381 3.388 20 30 CGEDMO CC[C@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@H](C)CO1 ZINC000593062634 347034705 /nfs/dbraw/zinc/03/47/05/347034705.db2.gz PPDRBNNIKWHJJG-ZBFHGGJFSA-N 1 1 286.419 3.487 20 30 CGEDMO CC[N@@H+](CCC1(C#N)CCCCC1)[C@@H]1CCCOC1 ZINC000593071875 347036167 /nfs/dbraw/zinc/03/61/67/347036167.db2.gz VDDZOZAKMGERJT-OAHLLOKOSA-N 1 1 264.413 3.351 20 30 CGEDMO C[C@@H]1C[N@H+]([C@H]2CC[C@H](C#N)C2)CCc2ccccc21 ZINC000593090287 347038276 /nfs/dbraw/zinc/03/82/76/347038276.db2.gz HRXOMBKVUHZWJV-YCPHGPKFSA-N 1 1 254.377 3.340 20 30 CGEDMO C[N@@H+](CCCCC(C)(C)C#N)CCN1CCCCC1 ZINC000593113294 347040759 /nfs/dbraw/zinc/04/07/59/347040759.db2.gz YDBKUKFDISTRHC-UHFFFAOYSA-N 1 1 265.445 3.124 20 30 CGEDMO CN(CCCCC(C)(C)C#N)CC[NH+]1CCCCC1 ZINC000593113294 347040763 /nfs/dbraw/zinc/04/07/63/347040763.db2.gz YDBKUKFDISTRHC-UHFFFAOYSA-N 1 1 265.445 3.124 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccnc(C#N)c2)CCc2ccc(F)cc21 ZINC000593116296 347041457 /nfs/dbraw/zinc/04/14/57/347041457.db2.gz JSSWXCNPWVRODQ-CYBMUJFWSA-N 1 1 295.361 3.254 20 30 CGEDMO CC(C)C[N@@H+](C)CCCN[C@H](C)c1cccc(C#N)c1 ZINC000593181892 347048724 /nfs/dbraw/zinc/04/87/24/347048724.db2.gz MSOGDFQTNMGLMN-OAHLLOKOSA-N 1 1 273.424 3.187 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@@H]1CCOC1 ZINC000356113667 529983917 /nfs/dbraw/zinc/98/39/17/529983917.db2.gz QXTJAFSISXNRDY-LBPRGKRZSA-N 1 1 298.308 3.045 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1Cl)C[C@@H]1CCCC[C@H]1O ZINC000439426975 529984107 /nfs/dbraw/zinc/98/41/07/529984107.db2.gz WNJFYGMBISYAPE-GOEBONIOSA-N 1 1 292.810 3.195 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1Cl)C[C@H]1CCCC[C@@H]1O ZINC000439426977 529984194 /nfs/dbraw/zinc/98/41/94/529984194.db2.gz WNJFYGMBISYAPE-ZBFHGGJFSA-N 1 1 292.810 3.195 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1Cl)[C@@H](CO)C(C)(C)C ZINC000439455844 529984229 /nfs/dbraw/zinc/98/42/29/529984229.db2.gz WEIVQTMGACFTCF-AWEZNQCLSA-N 1 1 280.799 3.050 20 30 CGEDMO COCC[N@H+](Cc1cccc(C#N)c1)C[C@H]1CC=CCC1 ZINC000351598107 219140759 /nfs/dbraw/zinc/14/07/59/219140759.db2.gz IKPJMDIVNBPMEI-INIZCTEOSA-N 1 1 284.403 3.363 20 30 CGEDMO COCC[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccco1 ZINC000273212608 192076403 /nfs/dbraw/zinc/07/64/03/192076403.db2.gz BWISJWOBSMKAFQ-HNNXBMFYSA-N 1 1 288.322 3.158 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000340893503 263312460 /nfs/dbraw/zinc/31/24/60/263312460.db2.gz KXVQCDSHWSKCQS-RYUDHWBXSA-N 1 1 265.319 3.120 20 30 CGEDMO CCC1(CC)C[N@H+]([C@@H]2CC[C@H](C#N)C2)CCS1 ZINC000336337351 282377782 /nfs/dbraw/zinc/37/77/82/282377782.db2.gz UIWWDLWIMQPMSG-QWHCGFSZSA-N 1 1 252.427 3.286 20 30 CGEDMO CC(C)CC[N@@H+](CC(=O)Nc1sccc1C#N)C1CC1 ZINC000044898454 345018143 /nfs/dbraw/zinc/01/81/43/345018143.db2.gz ZUDYXRNOQCKIRW-UHFFFAOYSA-N 1 1 291.420 3.069 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000046088659 345035092 /nfs/dbraw/zinc/03/50/92/345035092.db2.gz FVVJHCHWZOHQBF-OAHLLOKOSA-N 1 1 292.448 3.310 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CCc2sccc2[C@H]1C ZINC000053150879 345116177 /nfs/dbraw/zinc/11/61/77/345116177.db2.gz NKMSBKPXCQITQA-CYBMUJFWSA-N 1 1 292.448 3.092 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCc2sccc2[C@H]1C ZINC000053150879 345116178 /nfs/dbraw/zinc/11/61/78/345116178.db2.gz NKMSBKPXCQITQA-CYBMUJFWSA-N 1 1 292.448 3.092 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000057847888 345189043 /nfs/dbraw/zinc/18/90/43/345189043.db2.gz KSLASNBVSXLYFU-ZDUSSCGKSA-N 1 1 294.826 3.415 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000060365188 345214093 /nfs/dbraw/zinc/21/40/93/345214093.db2.gz JUZQBVYECUYDNJ-KRWDZBQOSA-N 1 1 286.419 3.124 20 30 CGEDMO C[C@H](c1ccc(OC(F)F)cc1)[N@@H+](C)C[C@H](C)C#N ZINC000064795216 345264395 /nfs/dbraw/zinc/26/43/95/345264395.db2.gz RTCQYVLUDWPOOU-GHMZBOCLSA-N 1 1 268.307 3.440 20 30 CGEDMO C[C@H](c1ccc(OC(F)F)cc1)[N@H+](C)C[C@H](C)C#N ZINC000064795216 345264396 /nfs/dbraw/zinc/26/43/96/345264396.db2.gz RTCQYVLUDWPOOU-GHMZBOCLSA-N 1 1 268.307 3.440 20 30 CGEDMO CC[C@@H]1C[C@H](C)C[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000075022025 345490449 /nfs/dbraw/zinc/49/04/49/345490449.db2.gz QJCJYTFAWUMZPF-JKSUJKDBSA-N 1 1 299.418 3.054 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC1CCOCC1 ZINC000076152448 345535975 /nfs/dbraw/zinc/53/59/75/345535975.db2.gz IHLJPXFWYZEMEZ-ROUUACIJSA-N 1 1 284.403 3.185 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(C(=O)OC)o1)Cc1ccccc1 ZINC000075655561 345518181 /nfs/dbraw/zinc/51/81/81/345518181.db2.gz SGPMDVZANUKUNH-UHFFFAOYSA-N 1 1 285.343 3.254 20 30 CGEDMO C=CC[N@H+](Cc1ccc(C(=O)OC)o1)Cc1ccccc1 ZINC000075655561 345518182 /nfs/dbraw/zinc/51/81/82/345518182.db2.gz SGPMDVZANUKUNH-UHFFFAOYSA-N 1 1 285.343 3.254 20 30 CGEDMO C[N@@H+](CCNc1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000091459609 345815260 /nfs/dbraw/zinc/81/52/60/345815260.db2.gz HYLCMLKCXIVABQ-UHFFFAOYSA-N 1 1 283.297 3.083 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+](C)Cc1ccc(C(=O)NC)cc1 ZINC000091507256 345817336 /nfs/dbraw/zinc/81/73/36/345817336.db2.gz ALCXNCZXAKQNDH-CQSZACIVSA-N 1 1 274.408 3.223 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000091595330 345818566 /nfs/dbraw/zinc/81/85/66/345818566.db2.gz NSFKKCPTROHJOG-ZBFHGGJFSA-N 1 1 260.381 3.280 20 30 CGEDMO Cc1[nH+]ccn1CCSCc1ccc(F)cc1C#N ZINC000089521079 345770319 /nfs/dbraw/zinc/77/03/19/345770319.db2.gz JEZUYPZGCODXES-UHFFFAOYSA-N 1 1 275.352 3.136 20 30 CGEDMO C=CCC[N@@H+](CC(=O)OC)[C@H](CC)c1ccccc1 ZINC000090560424 345790513 /nfs/dbraw/zinc/79/05/13/345790513.db2.gz BUQYCTGZPAXJKW-OAHLLOKOSA-N 1 1 261.365 3.189 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H](C)C2)cc1OC ZINC000092471453 345841467 /nfs/dbraw/zinc/84/14/67/345841467.db2.gz FRKYPYUWSGLTMQ-CYBMUJFWSA-N 1 1 261.365 3.102 20 30 CGEDMO CC(C)[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1CCCCC1 ZINC000102768829 345918581 /nfs/dbraw/zinc/91/85/81/345918581.db2.gz ROIWXWULDZHBOT-KRWDZBQOSA-N 1 1 293.455 3.084 20 30 CGEDMO C=C[C@H](C)[NH2+][C@@H](C)c1ncc(Br)s1 ZINC000126660285 346025707 /nfs/dbraw/zinc/02/57/07/346025707.db2.gz NNXSPCLMLATKRL-BQBZGAKWSA-N 1 1 261.188 3.131 20 30 CGEDMO CC[N@H+](CCC#N)Cc1ccc(Br)c(C)c1 ZINC000127605058 346032826 /nfs/dbraw/zinc/03/28/26/346032826.db2.gz QOVCORHJLVUJFI-UHFFFAOYSA-N 1 1 281.197 3.493 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1ccc(Br)c(C)c1 ZINC000127605058 346032830 /nfs/dbraw/zinc/03/28/30/346032830.db2.gz QOVCORHJLVUJFI-UHFFFAOYSA-N 1 1 281.197 3.493 20 30 CGEDMO C=CCN(CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000130820650 346060580 /nfs/dbraw/zinc/06/05/80/346060580.db2.gz OWPCGVQFQUKWRY-DOTOQJQBSA-N 1 1 258.409 3.330 20 30 CGEDMO C=CC[N@@H+](CC)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000130820650 346060583 /nfs/dbraw/zinc/06/05/83/346060583.db2.gz OWPCGVQFQUKWRY-DOTOQJQBSA-N 1 1 258.409 3.330 20 30 CGEDMO C=CC[N@H+](CC)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000130820650 346060588 /nfs/dbraw/zinc/06/05/88/346060588.db2.gz OWPCGVQFQUKWRY-DOTOQJQBSA-N 1 1 258.409 3.330 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000158386471 346164283 /nfs/dbraw/zinc/16/42/83/346164283.db2.gz BJSLFMZFJAWPQR-HNNXBMFYSA-N 1 1 290.455 3.374 20 30 CGEDMO C[C@H]1C[N@@H+](CCCSCC#N)[C@@H]1c1ccccc1 ZINC000177830590 346251453 /nfs/dbraw/zinc/25/14/53/346251453.db2.gz WRANDOFDFYNNKI-ZFWWWQNUSA-N 1 1 260.406 3.326 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCS[C@@H](C)[C@H]1C ZINC000229151519 346316173 /nfs/dbraw/zinc/31/61/73/346316173.db2.gz MZPFAPSVWKELME-OLZOCXBDSA-N 1 1 260.406 3.193 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCS[C@H](C)[C@H]1C ZINC000229151530 346316277 /nfs/dbraw/zinc/31/62/77/346316277.db2.gz MZPFAPSVWKELME-CHWSQXEVSA-N 1 1 260.406 3.193 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000230687007 346321556 /nfs/dbraw/zinc/32/15/56/346321556.db2.gz WYFAHQSMIDPHOW-UHFFFAOYSA-N 1 1 272.270 3.225 20 30 CGEDMO CC(C)c1[nH+]c(CN[C@@H]2CC[C@H](C#N)C2)c2ccccn21 ZINC000593640721 347098147 /nfs/dbraw/zinc/09/81/47/347098147.db2.gz QOTHUSBRVISIJX-UONOGXRCSA-N 1 1 282.391 3.240 20 30 CGEDMO N#CC1(C[NH2+]Cc2cc3ccccc3[nH]c2=O)CCCC1 ZINC000593653053 347099065 /nfs/dbraw/zinc/09/90/65/347099065.db2.gz ZLBALVNHNLYURH-UHFFFAOYSA-N 1 1 281.359 3.114 20 30 CGEDMO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NCC1(C#N)CCCC1 ZINC000405153525 346602838 /nfs/dbraw/zinc/60/28/38/346602838.db2.gz QIHWLOZNYHZVDC-FUHWJXTLSA-N 1 1 297.446 3.180 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCC1(C#N)CCCC1 ZINC000405153525 346602839 /nfs/dbraw/zinc/60/28/39/346602839.db2.gz QIHWLOZNYHZVDC-FUHWJXTLSA-N 1 1 297.446 3.180 20 30 CGEDMO C=CCCCC[N@@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000571512757 346667401 /nfs/dbraw/zinc/66/74/01/346667401.db2.gz XGOBQQQSZSADBP-ZDUSSCGKSA-N 1 1 278.362 3.159 20 30 CGEDMO CC(C)COc1ccccc1C[NH2+]CC(C)(C)C#N ZINC000449237031 260303573 /nfs/dbraw/zinc/30/35/73/260303573.db2.gz AAXSMEHBFMEXQW-UHFFFAOYSA-N 1 1 260.381 3.361 20 30 CGEDMO CO[C@@H](Cc1ccccc1)C[N@@H+]1Cc2ccc(C#N)cc2C1 ZINC000594028125 347138808 /nfs/dbraw/zinc/13/88/08/347138808.db2.gz HEGKLRKYYYMGQY-IBGZPJMESA-N 1 1 292.382 3.132 20 30 CGEDMO CO[C@@H](Cc1ccccc1)C[N@H+]1Cc2ccc(C#N)cc2C1 ZINC000594028125 347138811 /nfs/dbraw/zinc/13/88/11/347138811.db2.gz HEGKLRKYYYMGQY-IBGZPJMESA-N 1 1 292.382 3.132 20 30 CGEDMO C[N@@H+](CCCCC#N)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000594035784 347141667 /nfs/dbraw/zinc/14/16/67/347141667.db2.gz VUURIYGFQIFBND-UHFFFAOYSA-N 1 1 282.290 3.134 20 30 CGEDMO C[C@H]1C[N@H+](Cc2ccccc2C#N)CC2(CCCCC2)O1 ZINC000594058859 347146792 /nfs/dbraw/zinc/14/67/92/347146792.db2.gz STQSYESDLZSMFC-HNNXBMFYSA-N 1 1 284.403 3.482 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2C#N)CC2(CCCCC2)O1 ZINC000594058859 347146794 /nfs/dbraw/zinc/14/67/94/347146794.db2.gz STQSYESDLZSMFC-HNNXBMFYSA-N 1 1 284.403 3.482 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1C[C@@H](C)OC2(CCCCC2)C1 ZINC000594059756 347147077 /nfs/dbraw/zinc/14/70/77/347147077.db2.gz ZZENMGQZJAIHRK-UONOGXRCSA-N 1 1 250.386 3.102 20 30 CGEDMO CN(C[C@@H]1CCC[N@H+]1C)c1cccc(C(F)F)c1C#N ZINC000594592943 347197811 /nfs/dbraw/zinc/19/78/11/347197811.db2.gz DQEMTGSHWVFEMF-NSHDSACASA-N 1 1 279.334 3.026 20 30 CGEDMO N#Cc1cnc(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c(Cl)c1 ZINC000594604028 347200803 /nfs/dbraw/zinc/20/08/03/347200803.db2.gz WQHCRHMWDFFTEP-KGLIPLIRSA-N 1 1 290.798 3.035 20 30 CGEDMO CC[NH+](CC)C[C@H](C)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594497817 347179544 /nfs/dbraw/zinc/17/95/44/347179544.db2.gz HPYLLBHWPZVCFW-HNNXBMFYSA-N 1 1 287.451 3.308 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCSc2cccnc2C#N)C1 ZINC000594902527 347225159 /nfs/dbraw/zinc/22/51/59/347225159.db2.gz QBKWHLUIJBLXFJ-BETUJISGSA-N 1 1 275.421 3.023 20 30 CGEDMO N#Cc1cnccc1S[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000594907856 347226650 /nfs/dbraw/zinc/22/66/50/347226650.db2.gz JITKDWMQVDZVHT-MRXNPFEDSA-N 1 1 295.411 3.320 20 30 CGEDMO CC[C@H](CNCc1ccc(C2(C#N)CC2)cc1)[NH+]1CCCC1 ZINC000594915296 347228183 /nfs/dbraw/zinc/22/81/83/347228183.db2.gz RXZFOAVWYPQSQT-GOSISDBHSA-N 1 1 297.446 3.206 20 30 CGEDMO Cc1cccc2c1CCC[C@H]2[NH2+]Cc1nc(C#N)cs1 ZINC000595000161 347252830 /nfs/dbraw/zinc/25/28/30/347252830.db2.gz GPRCBXGUIXWRDE-OAHLLOKOSA-N 1 1 283.400 3.490 20 30 CGEDMO CC(C)(C)[N@@H+]1CC[C@H](NCc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594957597 347240694 /nfs/dbraw/zinc/24/06/94/347240694.db2.gz USMZUUXCRBSAAX-KRWDZBQOSA-N 1 1 297.446 3.204 20 30 CGEDMO CC(C)(C)[N@H+]1CC[C@H](NCc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594957597 347240697 /nfs/dbraw/zinc/24/06/97/347240697.db2.gz USMZUUXCRBSAAX-KRWDZBQOSA-N 1 1 297.446 3.204 20 30 CGEDMO N#Cc1ccc(CC[N@@H+]2CCC[C@@H]2CN2CCCCC2)cc1 ZINC000595307415 347289907 /nfs/dbraw/zinc/28/99/07/347289907.db2.gz VHHLKMHUXCRBLV-LJQANCHMSA-N 1 1 297.446 3.051 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCC[C@@H]2CN2CCCCC2)cc1 ZINC000595307415 347289910 /nfs/dbraw/zinc/28/99/10/347289910.db2.gz VHHLKMHUXCRBLV-LJQANCHMSA-N 1 1 297.446 3.051 20 30 CGEDMO COCC[N@@H+](CCC#N)C[C@H]1CCCCC1(C)C ZINC000595333224 347294130 /nfs/dbraw/zinc/29/41/30/347294130.db2.gz NLNIKKBLKAHYLC-CQSZACIVSA-N 1 1 252.402 3.065 20 30 CGEDMO N#C[C@H](c1ccccc1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000595388459 347297569 /nfs/dbraw/zinc/29/75/69/347297569.db2.gz WBYXBJZSDVGISK-YTQUADARSA-N 1 1 295.430 3.200 20 30 CGEDMO C[C@H]([NH2+][C@@H]1CCCn2nccc21)c1ccc(C#N)cc1F ZINC000595031076 347263457 /nfs/dbraw/zinc/26/34/57/347263457.db2.gz DRAKLPOOBXSVMY-XHDPSFHLSA-N 1 1 284.338 3.080 20 30 CGEDMO C[C@@H](NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc(C#N)cc1F ZINC000595055071 347270960 /nfs/dbraw/zinc/27/09/60/347270960.db2.gz ZXOUOOJMRHQSBE-TZMCWYRMSA-N 1 1 289.398 3.221 20 30 CGEDMO C[C@@H](NC[C@H]1CC[N@H+]1C(C)(C)C)c1ccc(C#N)cc1F ZINC000595055071 347270961 /nfs/dbraw/zinc/27/09/61/347270961.db2.gz ZXOUOOJMRHQSBE-TZMCWYRMSA-N 1 1 289.398 3.221 20 30 CGEDMO C[C@H](C[NH+]1CCC(C)CC1)N[C@@H](C)c1ccc(C#N)cc1 ZINC000595090772 347280549 /nfs/dbraw/zinc/28/05/49/347280549.db2.gz QXYKHBKISQYMMM-CVEARBPZSA-N 1 1 285.435 3.329 20 30 CGEDMO CC(C)(C)[N@@H+](CCOCCC#N)Cc1ccsc1 ZINC000595599976 347324110 /nfs/dbraw/zinc/32/41/10/347324110.db2.gz DUZSPQVDSFYGCS-UHFFFAOYSA-N 1 1 266.410 3.279 20 30 CGEDMO CCOc1ccc(OCC[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000595609535 347326190 /nfs/dbraw/zinc/32/61/90/347326190.db2.gz MAXGUQKKEKKPNJ-HNNXBMFYSA-N 1 1 288.391 3.090 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](CCN2CCCc3ccccc32)C1 ZINC000595621047 347328649 /nfs/dbraw/zinc/32/86/49/347328649.db2.gz ROAHXVBPWNCVAW-MRXNPFEDSA-N 1 1 283.419 3.065 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000595622832 347329723 /nfs/dbraw/zinc/32/97/23/347329723.db2.gz DTHUMFSGBRZBNG-LLVKDONJSA-N 1 1 294.301 3.134 20 30 CGEDMO CCc1nc(C)c(C[NH2+]C(C)(C)c2cccc(C#N)c2)o1 ZINC000595632001 347330047 /nfs/dbraw/zinc/33/00/47/347330047.db2.gz BAYVCQRDOWKEJN-UHFFFAOYSA-N 1 1 283.375 3.442 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595627466 347330087 /nfs/dbraw/zinc/33/00/87/347330087.db2.gz ZUOMPAXUVKDCIO-DYVFJYSZSA-N 1 1 270.376 3.120 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCO[C@](C)(C3CC3)C2)cc1 ZINC000595627192 347330313 /nfs/dbraw/zinc/33/03/13/347330313.db2.gz WSSFOTHNAKTARF-IBGZPJMESA-N 1 1 298.430 3.489 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000595658478 347334256 /nfs/dbraw/zinc/33/42/56/347334256.db2.gz JVPXLPLXORJMSI-ZDUSSCGKSA-N 1 1 258.340 3.485 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+]([C@@H](C(=O)OC)c2ccsc2)C1 ZINC000595659809 347334402 /nfs/dbraw/zinc/33/44/02/347334402.db2.gz PLTBGNMCIMSVRR-GXTWGEPZSA-N 1 1 279.405 3.250 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@@H](C(=O)OC)c2ccsc2)C1 ZINC000595659809 347334404 /nfs/dbraw/zinc/33/44/04/347334404.db2.gz PLTBGNMCIMSVRR-GXTWGEPZSA-N 1 1 279.405 3.250 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000595660436 347334658 /nfs/dbraw/zinc/33/46/58/347334658.db2.gz QURZFBMMFJWEKM-HNNXBMFYSA-N 1 1 297.402 3.175 20 30 CGEDMO N#CC1(CC[N@@H+]2CCC[C@@](O)(C3CC3)C2)CCCCC1 ZINC000595749246 347349615 /nfs/dbraw/zinc/34/96/15/347349615.db2.gz JFQHIUYYBWZWRH-KRWDZBQOSA-N 1 1 276.424 3.087 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC2(CCCC2)OC[C@@H]1C ZINC000595815709 347359664 /nfs/dbraw/zinc/35/96/64/347359664.db2.gz RCEGISJBYRHKEV-HNNXBMFYSA-N 1 1 284.403 3.400 20 30 CGEDMO COc1cccc([C@]2(C)CC[N@H+]([C@H]3CC[C@H](C#N)C3)C2)c1 ZINC000595771084 347353613 /nfs/dbraw/zinc/35/36/13/347353613.db2.gz ZNNBRSYVWCBSPK-QILLFSRXSA-N 1 1 284.403 3.351 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@H](C)O1 ZINC000595781955 347355146 /nfs/dbraw/zinc/35/51/46/347355146.db2.gz XEEBFRUHOIWVBP-CABCVRRESA-N 1 1 286.419 3.487 20 30 CGEDMO CC1(C)CC[N@@H+](CCc2ccc(C#N)cc2)CCS1 ZINC000595469293 347308674 /nfs/dbraw/zinc/30/86/74/347308674.db2.gz WMTOMGDGBHDBRA-UHFFFAOYSA-N 1 1 274.433 3.318 20 30 CGEDMO C[N@H+]1CC[C@H](N[C@@H](C#N)c2ccccc2)[C@@H]1c1ccccc1 ZINC000595477428 347309559 /nfs/dbraw/zinc/30/95/59/347309559.db2.gz SQRTWGNUBSLUSE-FHWLQOOXSA-N 1 1 291.398 3.286 20 30 CGEDMO CO[C@@H](C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1)C1CCC1 ZINC000595548616 347318052 /nfs/dbraw/zinc/31/80/52/347318052.db2.gz CQSIXLSXZYUCSL-GUYCJALGSA-N 1 1 272.392 3.366 20 30 CGEDMO CO[C@H](C[N@H+]1Cc2ccc(C#N)cc2C1)C1CCCC1 ZINC000595563394 347319849 /nfs/dbraw/zinc/31/98/49/347319849.db2.gz USYFSBWQKSFIGZ-QGZVFWFLSA-N 1 1 270.376 3.079 20 30 CGEDMO CC[C@@H](C)[N@@H+](CC)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000595594015 347322800 /nfs/dbraw/zinc/32/28/00/347322800.db2.gz WDHOOORKXCWEBQ-GFCCVEGCSA-N 1 1 284.363 3.229 20 30 CGEDMO N#Cc1c(F)cccc1C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595831355 347362739 /nfs/dbraw/zinc/36/27/39/347362739.db2.gz MSQPCQHWXOYUER-MRXNPFEDSA-N 1 1 296.345 3.351 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595831355 347362741 /nfs/dbraw/zinc/36/27/41/347362741.db2.gz MSQPCQHWXOYUER-MRXNPFEDSA-N 1 1 296.345 3.351 20 30 CGEDMO Cc1cc(C)cc(OCCC[N@@H+]2CC[C@](C)(C#N)C2)c1 ZINC000595835632 347363424 /nfs/dbraw/zinc/36/34/24/347363424.db2.gz SSTQVIKORKIXDG-QGZVFWFLSA-N 1 1 272.392 3.308 20 30 CGEDMO Cc1cc(C)cc(OCCC[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC000595835632 347363425 /nfs/dbraw/zinc/36/34/25/347363425.db2.gz SSTQVIKORKIXDG-QGZVFWFLSA-N 1 1 272.392 3.308 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000595838402 347364285 /nfs/dbraw/zinc/36/42/85/347364285.db2.gz BNKCJEOBHWJGBR-AWEZNQCLSA-N 1 1 298.308 3.363 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000595838402 347364289 /nfs/dbraw/zinc/36/42/89/347364289.db2.gz BNKCJEOBHWJGBR-AWEZNQCLSA-N 1 1 298.308 3.363 20 30 CGEDMO C[C@H](CC[N@H+]1CC[C@@](C)(C#N)C1)OCc1ccccc1 ZINC000595842053 347365378 /nfs/dbraw/zinc/36/53/78/347365378.db2.gz BRVAQXJVDVYKJJ-WBVHZDCISA-N 1 1 272.392 3.217 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000595844394 347366177 /nfs/dbraw/zinc/36/61/77/347366177.db2.gz SNJQUBFINZEKTJ-QGZVFWFLSA-N 1 1 267.376 3.223 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000595844394 347366183 /nfs/dbraw/zinc/36/61/83/347366183.db2.gz SNJQUBFINZEKTJ-QGZVFWFLSA-N 1 1 267.376 3.223 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc([N+](=O)[O-])ccc1OC ZINC000595842674 347366624 /nfs/dbraw/zinc/36/66/24/347366624.db2.gz UROQWDBPJILFFW-OKILXGFUSA-N 1 1 288.347 3.286 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)ccc1C#N ZINC000595844584 347367062 /nfs/dbraw/zinc/36/70/62/347367062.db2.gz GNYXVECYWUWNDP-IYBDPMFKSA-N 1 1 256.324 3.380 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCCCC(=O)OCC ZINC000595845488 347367161 /nfs/dbraw/zinc/36/71/61/347367161.db2.gz OXHCDHRKBGPJCZ-GASCZTMLSA-N 1 1 265.397 3.293 20 30 CGEDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1ccccc1C#N ZINC000595857767 347368003 /nfs/dbraw/zinc/36/80/03/347368003.db2.gz ODXQPIGSALITKS-VHRNVKJDSA-N 1 1 270.376 3.200 20 30 CGEDMO C[N@H+](Cc1ccncc1C#N)C[C@H]1CCc2ccccc21 ZINC000595880724 347370167 /nfs/dbraw/zinc/37/01/67/347370167.db2.gz OBWOSYUDHAVXOE-MRXNPFEDSA-N 1 1 277.371 3.115 20 30 CGEDMO N#Cc1ccc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000596569615 347480774 /nfs/dbraw/zinc/48/07/74/347480774.db2.gz AEDBUTCHJMABGS-INIZCTEOSA-N 1 1 269.392 3.092 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@@H](CC#N)C2)c(-c2ccccc2)n1 ZINC000597175435 347544335 /nfs/dbraw/zinc/54/43/35/347544335.db2.gz AYOZMIYAKSUIHD-HNNXBMFYSA-N 1 1 294.402 3.213 20 30 CGEDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597108169 347535385 /nfs/dbraw/zinc/53/53/85/347535385.db2.gz BFRYPOOOKIVCGX-RVKKMQEKSA-N 1 1 298.430 3.223 20 30 CGEDMO CCOc1ccc(C[N@H+](C)CC(C)(C)C#N)c(C)c1 ZINC000597135985 347538811 /nfs/dbraw/zinc/53/88/11/347538811.db2.gz PMKUPMVABQCQEV-UHFFFAOYSA-N 1 1 260.381 3.375 20 30 CGEDMO CCOc1ccc(C[N@@H+](C)CC(C)(C)C#N)c(C)c1 ZINC000597135985 347538815 /nfs/dbraw/zinc/53/88/15/347538815.db2.gz PMKUPMVABQCQEV-UHFFFAOYSA-N 1 1 260.381 3.375 20 30 CGEDMO N#CC1(c2ccc(C[N@@H+]3CC[C@@]4(CC4(F)F)C3)cc2)CC1 ZINC000597157581 347541817 /nfs/dbraw/zinc/54/18/17/347541817.db2.gz ONULNJHMOKNSGD-MRXNPFEDSA-N 1 1 288.341 3.473 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc(C#N)c(OC)c2)C1 ZINC000597186518 347547098 /nfs/dbraw/zinc/54/70/98/347547098.db2.gz IDEFYPRUAGZSCH-CQSZACIVSA-N 1 1 270.376 3.355 20 30 CGEDMO CC1(C)CC[C@@H](CO)[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000598649378 347675627 /nfs/dbraw/zinc/67/56/27/347675627.db2.gz UYYIEFHMZYHQGM-AWEZNQCLSA-N 1 1 292.810 3.195 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(C(=O)OC)c2n1CCCC2 ZINC000598671011 347677005 /nfs/dbraw/zinc/67/70/05/347677005.db2.gz LBPORHLMWVGEEU-UHFFFAOYSA-N 1 1 290.407 3.009 20 30 CGEDMO C[C@@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(C#N)cc1 ZINC000598955162 347700974 /nfs/dbraw/zinc/70/09/74/347700974.db2.gz GVBIGBNWQCYOKU-CZUORRHYSA-N 1 1 271.408 3.082 20 30 CGEDMO C[C@@H]([NH2+][C@@H]1CCN(C)C(C)(C)C1)c1ccc(C#N)cc1 ZINC000598955162 347700980 /nfs/dbraw/zinc/70/09/80/347700980.db2.gz GVBIGBNWQCYOKU-CZUORRHYSA-N 1 1 271.408 3.082 20 30 CGEDMO Cc1ccccc1C[N@@H+](C[C@H](O)CC(C)(C)C#N)C1CC1 ZINC000598587069 347666569 /nfs/dbraw/zinc/66/65/69/347666569.db2.gz MXHFUXDKXHQQFF-QGZVFWFLSA-N 1 1 286.419 3.260 20 30 CGEDMO CC(C)(C)C[C@H]1CCC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598590854 347667617 /nfs/dbraw/zinc/66/76/17/347667617.db2.gz RIAOYAXSAYWVQM-ZIAGYGMSSA-N 1 1 266.429 3.188 20 30 CGEDMO CCc1ccc([C@@H]2CCC[N@H+]2C[C@@H](O)CC(C)(C)C#N)o1 ZINC000598592297 347667663 /nfs/dbraw/zinc/66/76/63/347667663.db2.gz IZPSVRRFQZDFPD-ZFWWWQNUSA-N 1 1 290.407 3.280 20 30 CGEDMO CCC[C@H](C)[C@H]1CCC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598594229 347668430 /nfs/dbraw/zinc/66/84/30/347668430.db2.gz ZYLRFLIYYWHTQW-RRFJBIMHSA-N 1 1 266.429 3.188 20 30 CGEDMO CCC[N@@H+](CCc1cccs1)C[C@@H](O)CC(C)(C)C#N ZINC000598604636 347670568 /nfs/dbraw/zinc/67/05/68/347670568.db2.gz OOLIFZGPBGJZLO-AWEZNQCLSA-N 1 1 294.464 3.303 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC000598605100 347670614 /nfs/dbraw/zinc/67/06/14/347670614.db2.gz YUOPBQNXCBZQHE-JSSIJEINSA-N 1 1 298.430 3.465 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CC[C@@H]([C@H]2CCCC2(C)C)C1 ZINC000598624416 347672419 /nfs/dbraw/zinc/67/24/19/347672419.db2.gz GZYBXESLRQXTFW-OWCLPIDISA-N 1 1 292.467 3.435 20 30 CGEDMO Cc1ccc(C[N@@H+](C)C[C@@H](O)CC(C)(C)C#N)cc1C ZINC000598621007 347672526 /nfs/dbraw/zinc/67/25/26/347672526.db2.gz QVDFJUDOZNQFDG-INIZCTEOSA-N 1 1 274.408 3.036 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCC3(CC3)CC2)c(F)c1 ZINC000599672966 347763041 /nfs/dbraw/zinc/76/30/41/347763041.db2.gz LCCLHBPOOBTFRX-UHFFFAOYSA-N 1 1 258.340 3.463 20 30 CGEDMO N#CCc1cccc2c1CC[N@@H+](CCCC1CCOCC1)C2 ZINC000599679103 347765095 /nfs/dbraw/zinc/76/50/95/347765095.db2.gz VYOHCPIKVHSJON-UHFFFAOYSA-N 1 1 298.430 3.318 20 30 CGEDMO C[C@H](c1ccccn1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677830 347765165 /nfs/dbraw/zinc/76/51/65/347765165.db2.gz PBLXCUKJEMMNPU-CQSZACIVSA-N 1 1 277.371 3.267 20 30 CGEDMO N#CCc1ccc(C[N@@H+]2CCOc3cc(F)ccc3C2)cc1 ZINC000599687095 347765874 /nfs/dbraw/zinc/76/58/74/347765874.db2.gz KGRKAJURLRPBPL-UHFFFAOYSA-N 1 1 296.345 3.286 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCOc3cc(F)ccc3C2)cc1 ZINC000599687095 347765876 /nfs/dbraw/zinc/76/58/76/347765876.db2.gz KGRKAJURLRPBPL-UHFFFAOYSA-N 1 1 296.345 3.286 20 30 CGEDMO Cc1ccc(C[N@H+]2CCCC[C@@H]2c2ccnn2C)cc1C#N ZINC000599397551 347742533 /nfs/dbraw/zinc/74/25/33/347742533.db2.gz QTVRFDBKQLSKJS-GOSISDBHSA-N 1 1 294.402 3.327 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2ccnn2C)cc1C#N ZINC000599397551 347742536 /nfs/dbraw/zinc/74/25/36/347742536.db2.gz QTVRFDBKQLSKJS-GOSISDBHSA-N 1 1 294.402 3.327 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@@H](CCF)C2)cc1C#N ZINC000599471046 347747936 /nfs/dbraw/zinc/74/79/36/347747936.db2.gz XSORZQVEDOJXJR-AWEZNQCLSA-N 1 1 260.356 3.438 20 30 CGEDMO Cc1cc(C[N@@H+]2CCc3c(O)cccc3C2)ccc1C#N ZINC000599647046 347761634 /nfs/dbraw/zinc/76/16/34/347761634.db2.gz OVLGJNPNXBKRGV-UHFFFAOYSA-N 1 1 278.355 3.131 20 30 CGEDMO Cc1cc(C[N@H+]2CCc3c(O)cccc3C2)ccc1C#N ZINC000599647046 347761635 /nfs/dbraw/zinc/76/16/35/347761635.db2.gz OVLGJNPNXBKRGV-UHFFFAOYSA-N 1 1 278.355 3.131 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](c3ccc(O)cc3)C2)cc1F ZINC000600214002 347793994 /nfs/dbraw/zinc/79/39/94/347793994.db2.gz JXGADIQPYQSBQU-INIZCTEOSA-N 1 1 296.345 3.392 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](c3ccc(O)cc3)C2)c1 ZINC000600214800 347794789 /nfs/dbraw/zinc/79/47/89/347794789.db2.gz UETSJAHLBKCLIU-KRWDZBQOSA-N 1 1 278.355 3.253 20 30 CGEDMO Cc1cc(C#N)cc(N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000601139806 347874185 /nfs/dbraw/zinc/87/41/85/347874185.db2.gz MVYNIUOOGHVWCA-GOEBONIOSA-N 1 1 298.434 3.327 20 30 CGEDMO C[C@@]1(C2CCCCC2)CC[N@H+]1C[C@H](O)CC1(C#N)CC1 ZINC000601961203 347930130 /nfs/dbraw/zinc/93/01/30/347930130.db2.gz BREYSEHZJUFKPS-CVEARBPZSA-N 1 1 276.424 3.086 20 30 CGEDMO N#Cc1cccc(C[NH2+][C@@H]2CCCOc3ccc(F)cc32)n1 ZINC000602527874 347976401 /nfs/dbraw/zinc/97/64/01/347976401.db2.gz NBYZHPULJGWSJF-MRXNPFEDSA-N 1 1 297.333 3.096 20 30 CGEDMO COc1ccc(C[N@@H+](C)C[C@H](C)CCC#N)cc1OC ZINC000602431093 347957243 /nfs/dbraw/zinc/95/72/43/347957243.db2.gz BRARJQBRDVEVLR-CYBMUJFWSA-N 1 1 276.380 3.075 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+](C)Cc1ccns1 ZINC000602440447 347957875 /nfs/dbraw/zinc/95/78/75/347957875.db2.gz UBFORWOVLUGUBN-LLVKDONJSA-N 1 1 257.362 3.208 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1ccns1 ZINC000602440447 347957880 /nfs/dbraw/zinc/95/78/80/347957880.db2.gz UBFORWOVLUGUBN-LLVKDONJSA-N 1 1 257.362 3.208 20 30 CGEDMO CC(C)[N@@H+](CCC[C@@H]1CCO1)Cc1ccc(C#N)cc1 ZINC000602440752 347957903 /nfs/dbraw/zinc/95/79/03/347957903.db2.gz SVNISLPULDVRFR-QGZVFWFLSA-N 1 1 272.392 3.338 20 30 CGEDMO C[C@H](C#N)C[N@H+](C)Cc1ccccc1CC(F)(F)F ZINC000602447043 347959355 /nfs/dbraw/zinc/95/93/55/347959355.db2.gz KTJJFYCECUJCRR-LLVKDONJSA-N 1 1 270.298 3.383 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C)Cc1ccccc1CC(F)(F)F ZINC000602447043 347959356 /nfs/dbraw/zinc/95/93/56/347959356.db2.gz KTJJFYCECUJCRR-LLVKDONJSA-N 1 1 270.298 3.383 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C)CCCOc1ccccc1 ZINC000602444653 347959386 /nfs/dbraw/zinc/95/93/86/347959386.db2.gz KBWSFNULPBTHNW-HNNXBMFYSA-N 1 1 260.381 3.327 20 30 CGEDMO COc1ccccc1C[N@H+](Cc1cccc(C#N)n1)C1CC1 ZINC000602442618 347959469 /nfs/dbraw/zinc/95/94/69/347959469.db2.gz ZZINVBJRGRCXTD-UHFFFAOYSA-N 1 1 293.370 3.126 20 30 CGEDMO COc1ccccc1C[N@@H+](Cc1cccc(C#N)n1)C1CC1 ZINC000602442618 347959470 /nfs/dbraw/zinc/95/94/70/347959470.db2.gz ZZINVBJRGRCXTD-UHFFFAOYSA-N 1 1 293.370 3.126 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000602447755 347960101 /nfs/dbraw/zinc/96/01/01/347960101.db2.gz FXIVGTZKBMFLTR-YOEHRIQHSA-N 1 1 272.392 3.172 20 30 CGEDMO COc1cccc([C@H]2C[N@H+](C[C@@H](C)CCC#N)CCO2)c1 ZINC000602461948 347961996 /nfs/dbraw/zinc/96/19/96/347961996.db2.gz JEAYCRMLHGIYBN-WMLDXEAASA-N 1 1 288.391 3.008 20 30 CGEDMO COc1cccc([C@H]2C[N@@H+](C[C@@H](C)CCC#N)CCO2)c1 ZINC000602461948 347961999 /nfs/dbraw/zinc/96/19/99/347961999.db2.gz JEAYCRMLHGIYBN-WMLDXEAASA-N 1 1 288.391 3.008 20 30 CGEDMO CCS[C@H](C)c1noc(C[N@H+](C)C[C@H](C)CCC#N)n1 ZINC000602483330 347966849 /nfs/dbraw/zinc/96/68/49/347966849.db2.gz GGAZXFFBDZKTHW-VXGBXAGGSA-N 1 1 296.440 3.255 20 30 CGEDMO CCS[C@H](C)c1noc(C[N@@H+](C)C[C@H](C)CCC#N)n1 ZINC000602483330 347966852 /nfs/dbraw/zinc/96/68/52/347966852.db2.gz GGAZXFFBDZKTHW-VXGBXAGGSA-N 1 1 296.440 3.255 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000602486173 347967651 /nfs/dbraw/zinc/96/76/51/347967651.db2.gz PRVFWFBWYIKIIH-ZDUSSCGKSA-N 1 1 267.376 3.466 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000602486173 347967653 /nfs/dbraw/zinc/96/76/53/347967653.db2.gz PRVFWFBWYIKIIH-ZDUSSCGKSA-N 1 1 267.376 3.466 20 30 CGEDMO C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC1(CC#N)CC1 ZINC000602780266 348027581 /nfs/dbraw/zinc/02/75/81/348027581.db2.gz GBCGCNZQEYLQSJ-RNODOKPDSA-N 1 1 290.432 3.111 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](Cc1ccco1)C1CCN(C)CC1 ZINC000602663448 348003510 /nfs/dbraw/zinc/00/35/10/348003510.db2.gz AKUWGIUYWFIBEI-OAHLLOKOSA-N 1 1 289.423 3.116 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000602670231 348004984 /nfs/dbraw/zinc/00/49/84/348004984.db2.gz NKLGGFFNNLKTJX-DOTOQJQBSA-N 1 1 283.419 3.063 20 30 CGEDMO N#Cc1cccc(C[NH2+][C@@H]2CCCc3c(F)cc(F)cc32)n1 ZINC000602674293 348006609 /nfs/dbraw/zinc/00/66/09/348006609.db2.gz XGDDQMCWJPNXHE-QGZVFWFLSA-N 1 1 299.324 3.399 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000602684407 348008842 /nfs/dbraw/zinc/00/88/42/348008842.db2.gz XSOFPQWGPGTIOO-ROUUACIJSA-N 1 1 299.462 3.380 20 30 CGEDMO C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000602787498 348029282 /nfs/dbraw/zinc/02/92/82/348029282.db2.gz TYDHDFQXRDERPZ-XOYOTBSWSA-N 1 1 284.403 3.183 20 30 CGEDMO COC(=O)c1csc(C[NH2+]CC2(C#N)CCCCC2)c1 ZINC000602716742 348016622 /nfs/dbraw/zinc/01/66/22/348016622.db2.gz JTVRSMVESLBHRW-UHFFFAOYSA-N 1 1 292.404 3.098 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000602722826 348017949 /nfs/dbraw/zinc/01/79/49/348017949.db2.gz IAJDNDKVJHJGRF-RBSFLKMASA-N 1 1 294.439 3.226 20 30 CGEDMO CCn1nc(C)c(C[N@H+](C)Cc2ccc(C#N)s2)c1C ZINC000602727633 348019568 /nfs/dbraw/zinc/01/95/68/348019568.db2.gz FPSLQZODFQTIDM-UHFFFAOYSA-N 1 1 288.420 3.085 20 30 CGEDMO CCn1nc(C)c(C[N@@H+](C)Cc2ccc(C#N)s2)c1C ZINC000602727633 348019570 /nfs/dbraw/zinc/01/95/70/348019570.db2.gz FPSLQZODFQTIDM-UHFFFAOYSA-N 1 1 288.420 3.085 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC[C@H](c2ccc(O)cc2)C1 ZINC000602730008 348020023 /nfs/dbraw/zinc/02/00/23/348020023.db2.gz MKXJWHLKVLLHRX-HIFRSBDPSA-N 1 1 258.365 3.121 20 30 CGEDMO Cc1cc(C)c(/C=C\C[NH+]2CCN(CCC#N)CC2)c(C)c1 ZINC000602751804 348023800 /nfs/dbraw/zinc/02/38/00/348023800.db2.gz KUEVUEJSOMPXBW-XQRVVYSFSA-N 1 1 297.446 3.156 20 30 CGEDMO N#CCC1(C[N@H+](Cc2ccc(F)cc2)C2CC2)CC1 ZINC000602760575 348024527 /nfs/dbraw/zinc/02/45/27/348024527.db2.gz XPRVJZMQABEIPX-UHFFFAOYSA-N 1 1 258.340 3.484 20 30 CGEDMO COc1ccc([C@@H](C)[N@@H+](C)CC2(CC#N)CC2)cc1 ZINC000602758062 348024805 /nfs/dbraw/zinc/02/48/05/348024805.db2.gz ISUDEYKBFOOODD-CYBMUJFWSA-N 1 1 258.365 3.382 20 30 CGEDMO C[N@@H+](Cc1ccc(F)c(F)c1)CC1(CC#N)CC1 ZINC000602764523 348025586 /nfs/dbraw/zinc/02/55/86/348025586.db2.gz YGQCIDMOALTHPA-UHFFFAOYSA-N 1 1 250.292 3.090 20 30 CGEDMO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C#N)n2)cc1[N+](=O)[O-] ZINC000602560898 347982339 /nfs/dbraw/zinc/98/23/39/347982339.db2.gz ALVYHSRZPNVZIB-GFCCVEGCSA-N 1 1 296.330 3.021 20 30 CGEDMO Cc1cccc([C@@H]2CC[N@@H+](CC3(CC#N)CC3)C2)c1 ZINC000602804802 348031300 /nfs/dbraw/zinc/03/13/00/348031300.db2.gz LEHVPVCLHQJMPR-MRXNPFEDSA-N 1 1 254.377 3.478 20 30 CGEDMO C[C@@H]1CCC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CC1(CC#N)CC1 ZINC000602851287 348036547 /nfs/dbraw/zinc/03/65/47/348036547.db2.gz VBAMUVSUJLPCLV-ZIAGYGMSSA-N 1 1 292.423 3.265 20 30 CGEDMO C[C@@H]1CCC[C@H](C(=O)OC(C)(C)C)[N@H+]1CC1(CC#N)CC1 ZINC000602851287 348036550 /nfs/dbraw/zinc/03/65/50/348036550.db2.gz VBAMUVSUJLPCLV-ZIAGYGMSSA-N 1 1 292.423 3.265 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@H](c3cccnc3)C2)ccc1F ZINC000602857307 348037153 /nfs/dbraw/zinc/03/71/53/348037153.db2.gz UKOXNEJBUAQRGM-INIZCTEOSA-N 1 1 295.361 3.472 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](c3cccnc3)C2)c1 ZINC000602857662 348037295 /nfs/dbraw/zinc/03/72/95/348037295.db2.gz XHKSHMVDCCXUDY-GOSISDBHSA-N 1 1 277.371 3.333 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cnc(C(=O)OCC)s2)C1 ZINC000602883263 348040967 /nfs/dbraw/zinc/04/09/67/348040967.db2.gz QOJIMUAXTLOREI-LBPRGKRZSA-N 1 1 294.420 3.108 20 30 CGEDMO C=CC[N@@H+](Cc1cnc(C(=O)OCC)s1)C(C)(C)C ZINC000602895038 348040974 /nfs/dbraw/zinc/04/09/74/348040974.db2.gz KSHYVBLVQCCGTN-UHFFFAOYSA-N 1 1 282.409 3.106 20 30 CGEDMO C=CC[N@H+](Cc1cnc(C(=O)OCC)s1)C(C)(C)C ZINC000602895038 348040976 /nfs/dbraw/zinc/04/09/76/348040976.db2.gz KSHYVBLVQCCGTN-UHFFFAOYSA-N 1 1 282.409 3.106 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000602886080 348041053 /nfs/dbraw/zinc/04/10/53/348041053.db2.gz GGUCOEZXYQXANT-CQSZACIVSA-N 1 1 292.386 3.142 20 30 CGEDMO CCOc1ccccc1OCC[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602977775 348049040 /nfs/dbraw/zinc/04/90/40/348049040.db2.gz HCDDFZRUAZBOAZ-HUUCEWRRSA-N 1 1 288.391 3.088 20 30 CGEDMO CCOc1ccccc1OCC[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602977775 348049047 /nfs/dbraw/zinc/04/90/47/348049047.db2.gz HCDDFZRUAZBOAZ-HUUCEWRRSA-N 1 1 288.391 3.088 20 30 CGEDMO C[N@H+](Cc1ccc2ncccc2c1)[C@@H]1CCC[C@@H]1C#N ZINC000602980752 348051505 /nfs/dbraw/zinc/05/15/05/348051505.db2.gz VGDJSDDWVBDPPK-NVXWUHKLSA-N 1 1 265.360 3.359 20 30 CGEDMO C[N@@H+](Cc1ccc2ncccc2c1)[C@@H]1CCC[C@@H]1C#N ZINC000602980752 348051508 /nfs/dbraw/zinc/05/15/08/348051508.db2.gz VGDJSDDWVBDPPK-NVXWUHKLSA-N 1 1 265.360 3.359 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC000603000172 348054109 /nfs/dbraw/zinc/05/41/09/348054109.db2.gz WTUFVSZTAYAWKM-HOTGVXAUSA-N 1 1 278.440 3.189 20 30 CGEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1 ZINC000606452002 348185630 /nfs/dbraw/zinc/18/56/30/348185630.db2.gz BGRCOZFSQQDPQF-CRAIPNDOSA-N 1 1 286.419 3.070 20 30 CGEDMO C=CCCCCC[N@@H+](C)Cc1cn(-c2ccccc2)nn1 ZINC000606902244 348206228 /nfs/dbraw/zinc/20/62/28/348206228.db2.gz GFKIGCOTJJKUSS-UHFFFAOYSA-N 1 1 284.407 3.446 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cn(-c2ccccc2)nn1 ZINC000606902244 348206233 /nfs/dbraw/zinc/20/62/33/348206233.db2.gz GFKIGCOTJJKUSS-UHFFFAOYSA-N 1 1 284.407 3.446 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@@H]2CSCc3ccccc32)o1 ZINC000610270778 348369656 /nfs/dbraw/zinc/36/96/56/348369656.db2.gz WGFDKRMQMBXEDB-OAHLLOKOSA-N 1 1 270.357 3.229 20 30 CGEDMO N#Cc1cc(C[N@@H+](CC2CCCCC2)C2CC2)ccn1 ZINC000610991583 348413984 /nfs/dbraw/zinc/41/39/84/348413984.db2.gz NTSHEJDPOUWLEJ-UHFFFAOYSA-N 1 1 269.392 3.498 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC=C(c3ccc(F)cc3)CC2)ccn1 ZINC000610991762 348414052 /nfs/dbraw/zinc/41/40/52/348414052.db2.gz YNAMVJSQTYIBRL-UHFFFAOYSA-N 1 1 293.345 3.382 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)ccn1 ZINC000610991762 348414054 /nfs/dbraw/zinc/41/40/54/348414054.db2.gz YNAMVJSQTYIBRL-UHFFFAOYSA-N 1 1 293.345 3.382 20 30 CGEDMO N#Cc1cccc(OCCC[N@H+]2CC[C@@H](c3ccco3)C2)c1 ZINC000610786436 348403398 /nfs/dbraw/zinc/40/33/98/348403398.db2.gz CKEFKMWIWIHZSS-MRXNPFEDSA-N 1 1 296.370 3.410 20 30 CGEDMO N#Cc1ccc(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)s1 ZINC000611273832 348433965 /nfs/dbraw/zinc/43/39/65/348433965.db2.gz IKGQSPRNRVLYCD-UHFFFAOYSA-N 1 1 294.383 3.095 20 30 CGEDMO COC(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)o1 ZINC000611387263 348443453 /nfs/dbraw/zinc/44/34/53/348443453.db2.gz IVXQVFICGWGTSZ-NWDGAFQWSA-N 1 1 298.342 3.350 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000611392860 348445183 /nfs/dbraw/zinc/44/51/83/348445183.db2.gz RELLGEIURRZRIJ-HKUYNNGSSA-N 1 1 295.430 3.010 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000611392860 348445185 /nfs/dbraw/zinc/44/51/85/348445185.db2.gz RELLGEIURRZRIJ-HKUYNNGSSA-N 1 1 295.430 3.010 20 30 CGEDMO COCC[N@@H+](CCC#N)C[C@H](C)CCc1ccccc1 ZINC000611413633 348449385 /nfs/dbraw/zinc/44/93/85/348449385.db2.gz JFVGIXJMVJOMRX-MRXNPFEDSA-N 1 1 274.408 3.117 20 30 CGEDMO Cc1ccccc1C[N@H+]1CCCN(CCC(C)(C)C#N)CC1 ZINC000611462424 348453397 /nfs/dbraw/zinc/45/33/97/348453397.db2.gz OCICVUZFUJQSST-UHFFFAOYSA-N 1 1 299.462 3.443 20 30 CGEDMO Cc1ccccc1CN1CCC[N@H+](CCC(C)(C)C#N)CC1 ZINC000611462424 348453401 /nfs/dbraw/zinc/45/34/01/348453401.db2.gz OCICVUZFUJQSST-UHFFFAOYSA-N 1 1 299.462 3.443 20 30 CGEDMO Cc1ccccc1CN1CCC[N@@H+](CCC(C)(C)C#N)CC1 ZINC000611462424 348453403 /nfs/dbraw/zinc/45/34/03/348453403.db2.gz OCICVUZFUJQSST-UHFFFAOYSA-N 1 1 299.462 3.443 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000612585537 348530578 /nfs/dbraw/zinc/53/05/78/348530578.db2.gz KNYMSGCVZZOULO-UHFFFAOYSA-N 1 1 288.782 3.369 20 30 CGEDMO CCOc1c(Cl)cc(C[NH2+]CC(C)(C)C#N)cc1OC ZINC000612588232 348531643 /nfs/dbraw/zinc/53/16/43/348531643.db2.gz SUUAVFCOLYHBGB-UHFFFAOYSA-N 1 1 296.798 3.387 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000614183054 348656183 /nfs/dbraw/zinc/65/61/83/348656183.db2.gz VHNXQWKLRIWBAN-KRWDZBQOSA-N 1 1 286.419 3.345 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(F)cc1F ZINC000614800234 348694402 /nfs/dbraw/zinc/69/44/02/348694402.db2.gz VMGFDYIIBSRDDQ-JTQLQIEISA-N 1 1 273.286 3.082 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)[C@@H](C)[C@H](C)O1 ZINC000615000404 348705884 /nfs/dbraw/zinc/70/58/84/348705884.db2.gz YBPVDRJOFGARNG-ILXRZTDVSA-N 1 1 286.419 3.485 20 30 CGEDMO CCOc1ncccc1C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000358568623 233156530 /nfs/dbraw/zinc/15/65/30/233156530.db2.gz LLCJCCUTFYCFMW-GFCCVEGCSA-N 1 1 299.349 3.342 20 30 CGEDMO C[C@]1(C#N)CCC[N@H+](Cc2ccc3cnccc3c2)C1 ZINC000618819511 349157653 /nfs/dbraw/zinc/15/76/53/349157653.db2.gz IGZYHFAOMVJRSR-QGZVFWFLSA-N 1 1 265.360 3.360 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](Cc2ccc3cnccc3c2)C1 ZINC000618819511 349157657 /nfs/dbraw/zinc/15/76/57/349157657.db2.gz IGZYHFAOMVJRSR-QGZVFWFLSA-N 1 1 265.360 3.360 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](CCCCC2CCOCC2)C1 ZINC000619621199 349263790 /nfs/dbraw/zinc/26/37/90/349263790.db2.gz JBVKCPRTRKDPPW-INIZCTEOSA-N 1 1 264.413 3.209 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000625657538 350193166 /nfs/dbraw/zinc/19/31/66/350193166.db2.gz VSSCGCWZROJHRT-CJNGLKHVSA-N 1 1 281.346 3.081 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C)C1 ZINC000625699633 350197340 /nfs/dbraw/zinc/19/73/40/350197340.db2.gz BJBDEVHRCDFEHK-ZDUSSCGKSA-N 1 1 292.810 3.485 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)C1 ZINC000625699738 350197387 /nfs/dbraw/zinc/19/73/87/350197387.db2.gz GPQNKEDRTANLOJ-IKGGRYGDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CC(=O)N(C(C)C)C2CCCC2)C1 ZINC000625699522 350197683 /nfs/dbraw/zinc/19/76/83/350197683.db2.gz ADZQEYRWCMJLQG-OAHLLOKOSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000625700625 350198132 /nfs/dbraw/zinc/19/81/32/350198132.db2.gz DDXORNJMMLTBJL-CJNGLKHVSA-N 1 1 279.811 3.141 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cnc3c(cnn3C(C)C)c2)C1 ZINC000625700775 350199024 /nfs/dbraw/zinc/19/90/24/350199024.db2.gz LSGIQWUXEQDMQF-CQSZACIVSA-N 1 1 284.407 3.410 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](CCCn2c3ccccc3[nH]c2=O)C1 ZINC000625701881 350199699 /nfs/dbraw/zinc/19/96/99/350199699.db2.gz CFTDKWFJPRVYDF-CQSZACIVSA-N 1 1 285.391 3.030 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000625704661 350200960 /nfs/dbraw/zinc/20/09/60/350200960.db2.gz ZMKHJWRVWSKRDX-OAHLLOKOSA-N 1 1 267.376 3.270 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2noc(-c3ccsc3)n2)C1 ZINC000625704008 350200995 /nfs/dbraw/zinc/20/09/95/350200995.db2.gz QQZPMTFWUBIAJA-LLVKDONJSA-N 1 1 275.377 3.196 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2noc(-c3ccsc3)n2)C1 ZINC000625704008 350200999 /nfs/dbraw/zinc/20/09/99/350200999.db2.gz QQZPMTFWUBIAJA-LLVKDONJSA-N 1 1 275.377 3.196 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2F)C1 ZINC000625704392 350201197 /nfs/dbraw/zinc/20/11/97/350201197.db2.gz RVBJZGGPSFCPBM-ZDUSSCGKSA-N 1 1 276.355 3.052 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1c(C)cccc1CC)C1CC1 ZINC000271335054 191080104 /nfs/dbraw/zinc/08/01/04/191080104.db2.gz BCAPNZOMCKMLGK-UHFFFAOYSA-N 1 1 272.392 3.146 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1c(C)cccc1CC)C1CC1 ZINC000271335054 191080106 /nfs/dbraw/zinc/08/01/06/191080106.db2.gz BCAPNZOMCKMLGK-UHFFFAOYSA-N 1 1 272.392 3.146 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H](C(=O)NCCC)C1 ZINC000740876651 571890897 /nfs/dbraw/zinc/89/08/97/571890897.db2.gz XARSDRIXFFDEPC-HNNXBMFYSA-N 1 1 268.445 3.195 20 30 CGEDMO Cc1cc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)on1 ZINC000631082209 350947763 /nfs/dbraw/zinc/94/77/63/350947763.db2.gz HMCZNLZOGOWGOZ-UHFFFAOYSA-N 1 1 294.276 3.143 20 30 CGEDMO Cc1[nH+]ccn1CCCN(C)c1c(Cl)cccc1C#N ZINC000120224065 186884158 /nfs/dbraw/zinc/88/41/58/186884158.db2.gz VVZXAHCJIQFVJP-UHFFFAOYSA-N 1 1 288.782 3.243 20 30 CGEDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000122177815 187019313 /nfs/dbraw/zinc/01/93/13/187019313.db2.gz MXLBISXPOPLSEM-LLVKDONJSA-N 1 1 258.296 3.483 20 30 CGEDMO CCCO[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000124036747 187120154 /nfs/dbraw/zinc/12/01/54/187120154.db2.gz SZLPIMCNTVFXNH-CYBMUJFWSA-N 1 1 278.421 3.401 20 30 CGEDMO Cc1nc(N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)ccc1C#N ZINC000291900749 198100503 /nfs/dbraw/zinc/10/05/03/198100503.db2.gz KDGMIFDPVNEHHQ-SJLPKXTDSA-N 1 1 292.386 3.119 20 30 CGEDMO N#C[C@H]1CC[C@@H]([N@H+]2CCSC3(CCCCC3)C2)C1 ZINC000335794002 303167878 /nfs/dbraw/zinc/16/78/78/303167878.db2.gz TYQOVVUCMJPJDL-UONOGXRCSA-N 1 1 264.438 3.430 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000292378111 198264841 /nfs/dbraw/zinc/26/48/41/198264841.db2.gz RKDZCZWVVIOKLG-CVEARBPZSA-N 1 1 297.446 3.425 20 30 CGEDMO C=CC[NH+](CC=C)[C@H](CN[C@@H](C)c1ccccn1)C(C)C ZINC000158609212 188385109 /nfs/dbraw/zinc/38/51/09/188385109.db2.gz FBOCNVPDMFQLGS-FUHWJXTLSA-N 1 1 287.451 3.431 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000336393023 213250802 /nfs/dbraw/zinc/25/08/02/213250802.db2.gz WBYPWNOMYAPPHC-LLVKDONJSA-N 1 1 280.318 3.044 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000336393023 213250804 /nfs/dbraw/zinc/25/08/04/213250804.db2.gz WBYPWNOMYAPPHC-LLVKDONJSA-N 1 1 280.318 3.044 20 30 CGEDMO N#C[C@H]1CC[C@H]([N@H+]2CC=C(c3ccc(O)cc3)CC2)C1 ZINC000334736582 283067347 /nfs/dbraw/zinc/06/73/47/283067347.db2.gz MFPIVEUYTRFJEC-BBRMVZONSA-N 1 1 268.360 3.174 20 30 CGEDMO C[C@@H]1CCC(C)(C)[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000411803737 235082146 /nfs/dbraw/zinc/08/21/46/235082146.db2.gz FUDXDCRPYLQSNS-CYBMUJFWSA-N 1 1 285.391 3.150 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCc3cc(F)ccc3C2)cc1 ZINC000091895174 283143228 /nfs/dbraw/zinc/14/32/28/283143228.db2.gz AWYIQYSKKVZYBE-UHFFFAOYSA-N 1 1 266.319 3.256 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCc3cc(F)ccc3C2)cc1 ZINC000091895174 283143230 /nfs/dbraw/zinc/14/32/30/283143230.db2.gz AWYIQYSKKVZYBE-UHFFFAOYSA-N 1 1 266.319 3.256 20 30 CGEDMO CC[C@@H]1CC[C@H](C)[N@H+]1CCOc1cccc(C#N)c1 ZINC000124584632 138376098 /nfs/dbraw/zinc/37/60/98/138376098.db2.gz OAGSARKCTAQQNB-DZGCQCFKSA-N 1 1 258.365 3.200 20 30 CGEDMO Cc1cccc(NCCNc2cc(Cl)ccc2C#N)[nH+]1 ZINC000427375660 236328437 /nfs/dbraw/zinc/32/84/37/236328437.db2.gz NRPHFJZFCFZWMC-UHFFFAOYSA-N 1 1 286.766 3.439 20 30 CGEDMO CO[C@@]1(C)C[C@@H]([N@H+](C)Cc2cccc(F)c2C#N)C1(C)C ZINC000428255554 236384921 /nfs/dbraw/zinc/38/49/21/236384921.db2.gz KSJKRSKLYVARPK-WBVHZDCISA-N 1 1 290.382 3.333 20 30 CGEDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2cccc(F)c2C#N)C1(C)C ZINC000428255554 236384925 /nfs/dbraw/zinc/38/49/25/236384925.db2.gz KSJKRSKLYVARPK-WBVHZDCISA-N 1 1 290.382 3.333 20 30 CGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2cc(C#N)ccn2)C1 ZINC000341825209 216118311 /nfs/dbraw/zinc/11/83/11/216118311.db2.gz PUOUSBUHYAFWCC-PBHICJAKSA-N 1 1 292.386 3.201 20 30 CGEDMO Cc1cccc(C)c1[C@@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000352931063 219746329 /nfs/dbraw/zinc/74/63/29/219746329.db2.gz DOOLRWDTSHSFPY-GFCCVEGCSA-N 1 1 271.389 3.482 20 30 CGEDMO COC[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000177168681 189033783 /nfs/dbraw/zinc/03/37/83/189033783.db2.gz WOOBZGXUDRWCQP-HNNXBMFYSA-N 1 1 277.795 3.050 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@@H]2c2cccn2C)cc1C#N ZINC000179233783 189179297 /nfs/dbraw/zinc/17/92/97/189179297.db2.gz WMFZMGIQAGUVSV-QGZVFWFLSA-N 1 1 295.386 3.242 20 30 CGEDMO COc1cc(C[N@@H+](CCCCC#N)C2CC2)ccc1O ZINC000119614479 370691214 /nfs/dbraw/zinc/69/12/14/370691214.db2.gz PBQYPEXFBBANAC-UHFFFAOYSA-N 1 1 274.364 3.059 20 30 CGEDMO C[N@@H+](CCNc1ccc(Cl)c(C#N)n1)C1CCCCC1 ZINC000301520174 201044385 /nfs/dbraw/zinc/04/43/85/201044385.db2.gz LBLPLWXEBQLQDD-UHFFFAOYSA-N 1 1 292.814 3.283 20 30 CGEDMO CN(Cc1ccc(C#N)cc1)c1cc[nH+]cc1Cl ZINC000301554880 201067275 /nfs/dbraw/zinc/06/72/75/201067275.db2.gz ZMOOTMDGGXBADM-UHFFFAOYSA-N 1 1 257.724 3.243 20 30 CGEDMO CC[N@@H+](Cc1cccs1)Cc1cnc2ccc(C#N)cn12 ZINC000119993123 370730214 /nfs/dbraw/zinc/73/02/14/370730214.db2.gz BFERGBIXTDVMLC-UHFFFAOYSA-N 1 1 296.399 3.290 20 30 CGEDMO CC[N@@H+](c1ccc(Nc2cnc(C#N)cn2)cc1)C(C)C ZINC000120420509 370765522 /nfs/dbraw/zinc/76/55/22/370765522.db2.gz JVPPNHUHQSJJHI-UHFFFAOYSA-N 1 1 281.363 3.327 20 30 CGEDMO CC[N@H+](c1ccc(Nc2cnc(C#N)cn2)cc1)C(C)C ZINC000120420509 370765530 /nfs/dbraw/zinc/76/55/30/370765530.db2.gz JVPPNHUHQSJJHI-UHFFFAOYSA-N 1 1 281.363 3.327 20 30 CGEDMO COc1ccc(C[N@H+]2[C@H](C)CCC2(C)C)cc1C#N ZINC000452014905 240395508 /nfs/dbraw/zinc/39/55/08/240395508.db2.gz USPMRJIQBWGGFV-GFCCVEGCSA-N 1 1 258.365 3.330 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)C(C1CC1)C1CC1 ZINC000120741310 370795182 /nfs/dbraw/zinc/79/51/82/370795182.db2.gz CNMHPERPTHRNFX-UHFFFAOYSA-N 1 1 270.376 3.187 20 30 CGEDMO C=CC[N@@H+](C)CC(=O)N[C@H](CC(C)C)c1ccccc1 ZINC000121439821 370860894 /nfs/dbraw/zinc/86/08/94/370860894.db2.gz SOHBAINZCLRHDC-MRXNPFEDSA-N 1 1 274.408 3.008 20 30 CGEDMO C=CC[N@H+](C)CC(=O)N[C@H](CC(C)C)c1ccccc1 ZINC000121439821 370860897 /nfs/dbraw/zinc/86/08/97/370860897.db2.gz SOHBAINZCLRHDC-MRXNPFEDSA-N 1 1 274.408 3.008 20 30 CGEDMO C[N@@H+](CCOCC1CCCC1)Cc1cccc(C#N)c1 ZINC000459305292 242063655 /nfs/dbraw/zinc/06/36/55/242063655.db2.gz ZOKCCXCEUZIEMT-UHFFFAOYSA-N 1 1 272.392 3.197 20 30 CGEDMO C[N@@H+](CCOc1ccc(F)cc1)Cc1ccc(C#N)s1 ZINC000121477728 370864480 /nfs/dbraw/zinc/86/44/80/370864480.db2.gz DXMCZDCROWXOSB-UHFFFAOYSA-N 1 1 290.363 3.270 20 30 CGEDMO Cc1cc(C[N@H+](C)C2Cc3ccccc3C2)ccc1C#N ZINC000486720501 243369319 /nfs/dbraw/zinc/36/93/19/243369319.db2.gz JZSDNZBBGUBXSM-UHFFFAOYSA-N 1 1 276.383 3.466 20 30 CGEDMO COc1ccc(C)cc1[C@H](C)[NH2+]C[C@@H](C#N)CCC#N ZINC000024099441 368829509 /nfs/dbraw/zinc/82/95/09/368829509.db2.gz SOAFMYDZVVLROS-UONOGXRCSA-N 1 1 271.364 3.098 20 30 CGEDMO CC(C)C[N@@H+](CCOc1ccccc1C#N)C(C)C ZINC000042278429 369210044 /nfs/dbraw/zinc/21/00/44/369210044.db2.gz NRHHZXFCMRMMEV-UHFFFAOYSA-N 1 1 260.381 3.303 20 30 CGEDMO CC(C)CCOCC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000056283599 369524721 /nfs/dbraw/zinc/52/47/21/369524721.db2.gz CEHSTQWWMSUZCZ-UHFFFAOYSA-N 1 1 260.381 3.053 20 30 CGEDMO C=CC[N@@H+](CCC(=O)NC1CCCC1)Cc1cccs1 ZINC000060465257 369587898 /nfs/dbraw/zinc/58/78/98/369587898.db2.gz YJDICKQHVVEUAR-UHFFFAOYSA-N 1 1 292.448 3.185 20 30 CGEDMO CC[C@H]1C[C@@H](C)C[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000330958254 203418642 /nfs/dbraw/zinc/41/86/42/203418642.db2.gz WLIYUMROMKBLHS-HIFRSBDPSA-N 1 1 285.391 3.007 20 30 CGEDMO C=CCC[N@H+](C)Cc1cnc2c(cnn2C(C)C)c1 ZINC000276503211 193359349 /nfs/dbraw/zinc/35/93/49/193359349.db2.gz WPTIBHFVTOVMKM-UHFFFAOYSA-N 1 1 258.369 3.020 20 30 CGEDMO C=CCCN(C)c1cc(C)nc([C@@H](C)[N@H+](C)CCC=C)n1 ZINC000276479794 193349271 /nfs/dbraw/zinc/34/92/71/193349271.db2.gz SRYDLKPVDPOMIA-OAHLLOKOSA-N 1 1 288.439 3.366 20 30 CGEDMO C=CCCN(C)c1cc(C)nc([C@@H](C)[N@@H+](C)CCC=C)n1 ZINC000276479794 193349273 /nfs/dbraw/zinc/34/92/73/193349273.db2.gz SRYDLKPVDPOMIA-OAHLLOKOSA-N 1 1 288.439 3.366 20 30 CGEDMO C=CCOc1ccc(CNCC[N@H+](C)C2CCCC2)cc1 ZINC000071376822 369809317 /nfs/dbraw/zinc/80/93/17/369809317.db2.gz ONNFKRAIWNOHJB-UHFFFAOYSA-N 1 1 288.435 3.215 20 30 CGEDMO C=CCOc1ccc(C[NH2+]CCN(C)C2CCCC2)cc1 ZINC000071376822 369809321 /nfs/dbraw/zinc/80/93/21/369809321.db2.gz ONNFKRAIWNOHJB-UHFFFAOYSA-N 1 1 288.435 3.215 20 30 CGEDMO CC[C@@H](C)C[N@@H+](CC)CCC(=O)Nc1ccccc1C#N ZINC000093250976 370113709 /nfs/dbraw/zinc/11/37/09/370113709.db2.gz ZXWWYZIVCRCZMS-CQSZACIVSA-N 1 1 287.407 3.255 20 30 CGEDMO C[C@H](c1ccccn1)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000091704065 370076008 /nfs/dbraw/zinc/07/60/08/370076008.db2.gz CDOPAOJUBYSOEX-CQSZACIVSA-N 1 1 268.335 3.265 20 30 CGEDMO C[C@H](c1ccccn1)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000091704065 370076010 /nfs/dbraw/zinc/07/60/10/370076010.db2.gz CDOPAOJUBYSOEX-CQSZACIVSA-N 1 1 268.335 3.265 20 30 CGEDMO COc1ccc2c(c1)C[N@H+](CC(C)(C)CCC#N)CC2 ZINC000092507775 370098287 /nfs/dbraw/zinc/09/82/87/370098287.db2.gz SZIICPCAZHZXCZ-UHFFFAOYSA-N 1 1 272.392 3.383 20 30 CGEDMO CC(C)CC[C@@H]1CCCC[N@H+]1CCC(=O)N(C)CCC#N ZINC000092805898 370102176 /nfs/dbraw/zinc/10/21/76/370102176.db2.gz VQBSCFLFKDJROS-INIZCTEOSA-N 1 1 293.455 3.039 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)Cc1cccc2c[nH]nc21 ZINC000093101162 370109342 /nfs/dbraw/zinc/10/93/42/370109342.db2.gz XKXQMCODSMJCQT-UHFFFAOYSA-N 1 1 270.380 3.325 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1cccc2c[nH]nc21 ZINC000093101162 370109344 /nfs/dbraw/zinc/10/93/44/370109344.db2.gz XKXQMCODSMJCQT-UHFFFAOYSA-N 1 1 270.380 3.325 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@H](COC)C1 ZINC000093337698 370118887 /nfs/dbraw/zinc/11/88/87/370118887.db2.gz LIRFSUVYKJYIBS-HNNXBMFYSA-N 1 1 275.392 3.110 20 30 CGEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc(C#N)cs2)C1(C)C ZINC000093605412 370146267 /nfs/dbraw/zinc/14/62/67/370146267.db2.gz OHRFGJFCWDDKJE-KBPBESRZSA-N 1 1 278.421 3.255 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000093638528 370151016 /nfs/dbraw/zinc/15/10/16/370151016.db2.gz XCPXFCMGNDHDHP-LJQANCHMSA-N 1 1 298.430 3.490 20 30 CGEDMO C=C(Br)C[N@@H+]1CCC[C@@H](OCCC)CC1 ZINC000108493972 370357877 /nfs/dbraw/zinc/35/78/77/370357877.db2.gz AFHCQDAXTUGWLJ-GFCCVEGCSA-N 1 1 276.218 3.176 20 30 CGEDMO C=CCCC[NH+]1CCN(CC2CCCCC2)CC1 ZINC000117874936 370601187 /nfs/dbraw/zinc/60/11/87/370601187.db2.gz SBSCDAAXAPAPRB-UHFFFAOYSA-N 1 1 250.430 3.151 20 30 CGEDMO CC(C)[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000117347678 370586285 /nfs/dbraw/zinc/58/62/85/370586285.db2.gz UQVUYOSVFGYJSO-MRXNPFEDSA-N 1 1 285.391 3.007 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](C)CC[C@@H]1C ZINC000130476766 371036040 /nfs/dbraw/zinc/03/60/40/371036040.db2.gz MGHCWMNKNHNKCE-STQMWFEESA-N 1 1 258.365 3.187 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]1C(C)C ZINC000130477389 371038462 /nfs/dbraw/zinc/03/84/62/371038462.db2.gz OYNWBPFKANTKFS-HNNXBMFYSA-N 1 1 258.365 3.187 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)CC(C)(C)CCC#N ZINC000131209729 371090000 /nfs/dbraw/zinc/09/00/00/371090000.db2.gz UVEGWXZLLVQKPA-UHFFFAOYSA-N 1 1 255.365 3.320 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCc3ccsc3C2)ccc1F ZINC000132795230 371203393 /nfs/dbraw/zinc/20/33/93/371203393.db2.gz ZETOJUMWZMUOQD-UHFFFAOYSA-N 1 1 272.348 3.317 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCc3ccsc3C2)ccc1F ZINC000132795230 371203397 /nfs/dbraw/zinc/20/33/97/371203397.db2.gz ZETOJUMWZMUOQD-UHFFFAOYSA-N 1 1 272.348 3.317 20 30 CGEDMO N#CCCCC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000134792515 371365872 /nfs/dbraw/zinc/36/58/72/371365872.db2.gz QFLRYCBOMRYIFC-DLBZAZTESA-N 1 1 290.382 3.407 20 30 CGEDMO N#CCCC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134809410 371366206 /nfs/dbraw/zinc/36/62/06/371366206.db2.gz WKIRFTQJPWRALM-CVEARBPZSA-N 1 1 276.355 3.017 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2ccc(OC(F)F)cc2)o1 ZINC000135130602 371392595 /nfs/dbraw/zinc/39/25/95/371392595.db2.gz XPLKBRDRNWFOHH-UHFFFAOYSA-N 1 1 278.258 3.042 20 30 CGEDMO C[C@@H]1OCC[N@H+](Cc2ccccc2C(C)(C)C#N)[C@H]1C ZINC000135292197 371410530 /nfs/dbraw/zinc/41/05/30/371410530.db2.gz WDBDHJFFMAUNGG-KBPBESRZSA-N 1 1 272.392 3.097 20 30 CGEDMO C[C@@H]1OCC[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@H]1C ZINC000135292197 371410533 /nfs/dbraw/zinc/41/05/33/371410533.db2.gz WDBDHJFFMAUNGG-KBPBESRZSA-N 1 1 272.392 3.097 20 30 CGEDMO COc1ccc(C[NH2+][C@@H](C)c2ncc(C)s2)cc1C#N ZINC000134910438 371375032 /nfs/dbraw/zinc/37/50/32/371375032.db2.gz RDDCZGIFFWFVCU-NSHDSACASA-N 1 1 287.388 3.183 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000287184978 371617419 /nfs/dbraw/zinc/61/74/19/371617419.db2.gz CQTOEKMYVQACIE-UONOGXRCSA-N 1 1 291.395 3.414 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000287184978 371617422 /nfs/dbraw/zinc/61/74/22/371617422.db2.gz CQTOEKMYVQACIE-UONOGXRCSA-N 1 1 291.395 3.414 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000151872405 371646209 /nfs/dbraw/zinc/64/62/09/371646209.db2.gz BIVNIRQEPXQAHO-IRXDYDNUSA-N 1 1 296.370 3.239 20 30 CGEDMO C=CCOc1ccc(CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000287741884 371701343 /nfs/dbraw/zinc/70/13/43/371701343.db2.gz YVGJCWHCEIINIQ-HDMKZQKVSA-N 1 1 288.435 3.070 20 30 CGEDMO C=CCOc1ccc(CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000287741884 371701348 /nfs/dbraw/zinc/70/13/48/371701348.db2.gz YVGJCWHCEIINIQ-HDMKZQKVSA-N 1 1 288.435 3.070 20 30 CGEDMO C=CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)cc1 ZINC000287741884 371701354 /nfs/dbraw/zinc/70/13/54/371701354.db2.gz YVGJCWHCEIINIQ-HDMKZQKVSA-N 1 1 288.435 3.070 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000344075471 217040580 /nfs/dbraw/zinc/04/05/80/217040580.db2.gz USPNGEOKIKUMMW-CQSZACIVSA-N 1 1 270.376 3.355 20 30 CGEDMO Cn1cc(C[N@@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)cc1C#N ZINC000290208959 371935531 /nfs/dbraw/zinc/93/55/31/371935531.db2.gz QHSIYITZQMSUDZ-BETUJISGSA-N 1 1 299.340 3.450 20 30 CGEDMO CC#CCC[N@@H+]1CCC[C@H]1c1ccc(OC)cc1OC ZINC000155029326 371899406 /nfs/dbraw/zinc/89/94/06/371899406.db2.gz RRYBDWZYDIGLTA-INIZCTEOSA-N 1 1 273.376 3.254 20 30 CGEDMO C[C@H](c1ccccn1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344111188 217054210 /nfs/dbraw/zinc/05/42/10/217054210.db2.gz JOIDQTMQJGDMCA-OAHLLOKOSA-N 1 1 295.386 3.163 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)N(C)C1CCCCC1 ZINC000156147740 371964387 /nfs/dbraw/zinc/96/43/87/371964387.db2.gz YFCNEVPPJGLMOP-CQSZACIVSA-N 1 1 266.429 3.064 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccncc1 ZINC000157092677 372007365 /nfs/dbraw/zinc/00/73/65/372007365.db2.gz MWZBUBMUWWLITP-ROUUACIJSA-N 1 1 277.371 3.353 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccncc1 ZINC000157092677 372007374 /nfs/dbraw/zinc/00/73/74/372007374.db2.gz MWZBUBMUWWLITP-ROUUACIJSA-N 1 1 277.371 3.353 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159096212 372107007 /nfs/dbraw/zinc/10/70/07/372107007.db2.gz SWPIJKKZHDSWDK-LRDDRELGSA-N 1 1 258.340 3.462 20 30 CGEDMO C[N@@H+](CCc1ccccc1O)Cc1cc(C#N)ccc1F ZINC000344200263 217095731 /nfs/dbraw/zinc/09/57/31/217095731.db2.gz SWLXYXOHFBPSQB-UHFFFAOYSA-N 1 1 284.334 3.077 20 30 CGEDMO C[C@H]1CC[C@@](CO)([N@@H+](C)CC#Cc2cccc(Cl)c2)C1 ZINC000425918048 372145021 /nfs/dbraw/zinc/14/50/21/372145021.db2.gz LNUIRCVZMLZGSP-WMLDXEAASA-N 1 1 291.822 3.174 20 30 CGEDMO C[C@H]1CC[C@](CO)([N@@H+](C)CC#Cc2cccc(Cl)c2)C1 ZINC000425918050 372145437 /nfs/dbraw/zinc/14/54/37/372145437.db2.gz LNUIRCVZMLZGSP-YOEHRIQHSA-N 1 1 291.822 3.174 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H]3CCC[C@H]32)c1C ZINC000426471885 372159535 /nfs/dbraw/zinc/15/95/35/372159535.db2.gz XLRCPQIZZQGWPO-NVXWUHKLSA-N 1 1 286.419 3.348 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(OCCOC)cc1 ZINC000426570515 372164922 /nfs/dbraw/zinc/16/49/22/372164922.db2.gz MILBJVSVYDQAQO-INIZCTEOSA-N 1 1 275.392 3.252 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(OC)c(OC)c(OC)c1 ZINC000426571769 372165238 /nfs/dbraw/zinc/16/52/38/372165238.db2.gz WEMGCGFGAYMQSQ-AWEZNQCLSA-N 1 1 291.391 3.253 20 30 CGEDMO C=CCOCC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000292914468 372248108 /nfs/dbraw/zinc/24/81/08/372248108.db2.gz XJZTYABAEWHNGC-HOTGVXAUSA-N 1 1 293.407 3.150 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)OC)C1 ZINC000429125784 372316751 /nfs/dbraw/zinc/31/67/51/372316751.db2.gz FMECIIPXYFFMAW-LSDHHAIUSA-N 1 1 293.794 3.105 20 30 CGEDMO CC(C)[C@@H]1C[N@H+]([C@@H](C)c2ccc(C#N)cc2)CCCO1 ZINC000293189349 372321565 /nfs/dbraw/zinc/32/15/65/372321565.db2.gz QDHYRQNLGCKENB-YOEHRIQHSA-N 1 1 272.392 3.366 20 30 CGEDMO C=CCCC[C@@H](C)[N@@H+]1CC[C@H](C(=O)OC)[C@@H]1C(C)C ZINC000429363846 372356563 /nfs/dbraw/zinc/35/65/63/372356563.db2.gz PVVHPSJFDYWODT-ILXRZTDVSA-N 1 1 267.413 3.251 20 30 CGEDMO N#Cc1c(F)cccc1N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000161894111 372358835 /nfs/dbraw/zinc/35/88/35/372358835.db2.gz FHCGYJJCROOEIO-DYVFJYSZSA-N 1 1 299.393 3.150 20 30 CGEDMO C[C@H]1CCSCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000429774569 372376804 /nfs/dbraw/zinc/37/68/04/372376804.db2.gz NALJFUIXTJLOGC-ZDUSSCGKSA-N 1 1 263.381 3.005 20 30 CGEDMO COCC(C)(C)[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000430152601 372386276 /nfs/dbraw/zinc/38/62/76/372386276.db2.gz UFKOMISFMDBWEE-UHFFFAOYSA-N 1 1 290.407 3.226 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000433270416 372585058 /nfs/dbraw/zinc/58/50/58/372585058.db2.gz QRWNOVQDPFMDTP-GFCCVEGCSA-N 1 1 271.763 3.238 20 30 CGEDMO C[N@@H+](CCCOc1ccc(F)cc1)CC(C)(C)C#N ZINC000433312061 372587925 /nfs/dbraw/zinc/58/79/25/372587925.db2.gz PHTKZRXNBGFVGJ-UHFFFAOYSA-N 1 1 264.344 3.076 20 30 CGEDMO CC#CCN(C)C(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000294440616 372654358 /nfs/dbraw/zinc/65/43/58/372654358.db2.gz GOQUXUKYRRDGSE-UHFFFAOYSA-N 1 1 286.419 3.012 20 30 CGEDMO C#CC[N@@H+](C)CCCN[C@@H]1C[C@H](C)Sc2sccc21 ZINC000294865441 372675841 /nfs/dbraw/zinc/67/58/41/372675841.db2.gz CICBGSOUDAHNIH-GXTWGEPZSA-N 1 1 294.489 3.218 20 30 CGEDMO C#CC[N@H+](C)CCCN[C@@H]1C[C@H](C)Sc2sccc21 ZINC000294865441 372675846 /nfs/dbraw/zinc/67/58/46/372675846.db2.gz CICBGSOUDAHNIH-GXTWGEPZSA-N 1 1 294.489 3.218 20 30 CGEDMO C=CC[N@H+](CCc1cscn1)CCc1ccco1 ZINC000294963412 372682560 /nfs/dbraw/zinc/68/25/60/372682560.db2.gz KFQUWHKEXORROD-UHFFFAOYSA-N 1 1 262.378 3.009 20 30 CGEDMO C#CC[N@@H+](C)CCCN[C@@H](C)c1ccc(Cl)s1 ZINC000295104105 372691983 /nfs/dbraw/zinc/69/19/83/372691983.db2.gz WLJXNHIJBDNPDP-NSHDSACASA-N 1 1 270.829 3.007 20 30 CGEDMO C#CC[N@H+](C)CCCN[C@@H](C)c1ccc(Cl)s1 ZINC000295104105 372691988 /nfs/dbraw/zinc/69/19/88/372691988.db2.gz WLJXNHIJBDNPDP-NSHDSACASA-N 1 1 270.829 3.007 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(Br)cn1 ZINC000171971258 372871310 /nfs/dbraw/zinc/87/13/10/372871310.db2.gz HDRWMRKIMNEVBZ-UHFFFAOYSA-N 1 1 269.186 3.242 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000438175074 372903383 /nfs/dbraw/zinc/90/33/83/372903383.db2.gz OFNVZVYYTXYVSL-DOTOQJQBSA-N 1 1 257.352 3.442 20 30 CGEDMO Fc1ccc(C#CC[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000438569404 372969071 /nfs/dbraw/zinc/96/90/71/372969071.db2.gz FEXSUDNKIXYPLD-IYBDPMFKSA-N 1 1 257.352 3.299 20 30 CGEDMO N#C[C@@H]1CC[C@H]([NH2+]Cc2coc(-c3cccs3)n2)C1 ZINC000442789224 373082642 /nfs/dbraw/zinc/08/26/42/373082642.db2.gz JQMMGEGLDWYVQZ-MNOVXSKESA-N 1 1 273.361 3.185 20 30 CGEDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000443334769 373151751 /nfs/dbraw/zinc/15/17/51/373151751.db2.gz NBELWFRBWQONHR-JKIFEVAISA-N 1 1 291.822 3.173 20 30 CGEDMO Cc1noc(C)c1C(C)(C)[NH2+]Cc1cccc(C#N)c1F ZINC000353555564 220156444 /nfs/dbraw/zinc/15/64/44/220156444.db2.gz PGPHZATWISIGLW-UHFFFAOYSA-N 1 1 287.338 3.327 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000443639588 373159644 /nfs/dbraw/zinc/15/96/44/373159644.db2.gz LIBMLWMYQJXGOE-GFCCVEGCSA-N 1 1 251.757 3.369 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCc2ncsc2C1 ZINC000442892654 373121642 /nfs/dbraw/zinc/12/16/42/373121642.db2.gz QDFBONZFDGUUJK-NSHDSACASA-N 1 1 269.373 3.134 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCc2ncsc2C1 ZINC000442892654 373121651 /nfs/dbraw/zinc/12/16/51/373121651.db2.gz QDFBONZFDGUUJK-NSHDSACASA-N 1 1 269.373 3.134 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2nnc(C)n2C2CC2)CCCC1(C)C ZINC000444779734 373272655 /nfs/dbraw/zinc/27/26/55/373272655.db2.gz LHYPRKUSIIYTGH-HNNXBMFYSA-N 1 1 288.439 3.488 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCCC(C)(C)[C@@H]1CC=C ZINC000444776934 373272748 /nfs/dbraw/zinc/27/27/48/373272748.db2.gz QPFSXLZSAOOLRR-GJZGRUSLSA-N 1 1 251.414 3.380 20 30 CGEDMO C=CC[C@H]1[N@@H+](CCn2ccnc2C)CCCC1(C)C ZINC000444785376 373275490 /nfs/dbraw/zinc/27/54/90/373275490.db2.gz QLXPCGPLXUWQLB-OAHLLOKOSA-N 1 1 261.413 3.258 20 30 CGEDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1CCCCC(C)(C)C#N ZINC000444684226 373234186 /nfs/dbraw/zinc/23/41/86/373234186.db2.gz IVFCSTJOFJIXAM-QLFBSQMISA-N 1 1 266.429 3.188 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000296814557 373248305 /nfs/dbraw/zinc/24/83/05/373248305.db2.gz VEJWRICSVOTOSE-HUUCEWRRSA-N 1 1 283.419 3.035 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCN(C2CC2)C[C@H](C)C1 ZINC000296814557 373248312 /nfs/dbraw/zinc/24/83/12/373248312.db2.gz VEJWRICSVOTOSE-HUUCEWRRSA-N 1 1 283.419 3.035 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCN(C2CC2)C[C@H](C)C1 ZINC000296814557 373248320 /nfs/dbraw/zinc/24/83/20/373248320.db2.gz VEJWRICSVOTOSE-HUUCEWRRSA-N 1 1 283.419 3.035 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000444725053 373251602 /nfs/dbraw/zinc/25/16/02/373251602.db2.gz FWPWBHGBJADONS-AVGNSLFASA-N 1 1 279.346 3.366 20 30 CGEDMO CC(C)[C@@H]1CC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000446733774 373350595 /nfs/dbraw/zinc/35/05/95/373350595.db2.gz ABWLJNIJXCARMS-CQSZACIVSA-N 1 1 267.376 3.289 20 30 CGEDMO CC(=O)c1ccc(C#N)c(NC[C@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC000447812763 373495560 /nfs/dbraw/zinc/49/55/60/373495560.db2.gz SOAKPPDBKQPOKQ-QGZVFWFLSA-N 1 1 299.418 3.293 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)Cc1cc(F)ccc1C ZINC000448509324 373579302 /nfs/dbraw/zinc/57/93/02/373579302.db2.gz CIIYBDBIBPFHQS-UHFFFAOYSA-N 1 1 264.388 3.074 20 30 CGEDMO C=CC[N@@H+](C)CCN(CC)Cc1cc(F)ccc1C ZINC000448509324 373579310 /nfs/dbraw/zinc/57/93/10/373579310.db2.gz CIIYBDBIBPFHQS-UHFFFAOYSA-N 1 1 264.388 3.074 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)Cc1cc(F)ccc1C ZINC000448509324 373579316 /nfs/dbraw/zinc/57/93/16/373579316.db2.gz CIIYBDBIBPFHQS-UHFFFAOYSA-N 1 1 264.388 3.074 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2c(C)nnn2CC)CCCC1(C)C ZINC000449281851 373677274 /nfs/dbraw/zinc/67/72/74/373677274.db2.gz FOZNFDYTVPCQQS-OAHLLOKOSA-N 1 1 276.428 3.173 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@](C)(COC)C2)cc1 ZINC000449392347 373686776 /nfs/dbraw/zinc/68/67/76/373686776.db2.gz JWNIXZGBWSPUJV-KRWDZBQOSA-N 1 1 275.392 3.110 20 30 CGEDMO CC[C@H]1CCCC[N@H+]1CCNc1ccc(C#N)cc1F ZINC000301285112 373729273 /nfs/dbraw/zinc/72/92/73/373729273.db2.gz RDOYCOWMLHHJMU-AWEZNQCLSA-N 1 1 275.371 3.374 20 30 CGEDMO COC[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccccc1 ZINC000178790610 373810143 /nfs/dbraw/zinc/81/01/43/373810143.db2.gz RECNZUAMBKFNNM-QGZVFWFLSA-N 1 1 284.334 3.175 20 30 CGEDMO C=CCCCC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000449560565 373831516 /nfs/dbraw/zinc/83/15/16/373831516.db2.gz MSQHHBKLRXSABL-WZYMTQMTSA-N 1 1 250.430 3.336 20 30 CGEDMO C=CCOc1cccc(C[NH2+]Cc2cnc(CCC)o2)c1 ZINC000449610900 373835852 /nfs/dbraw/zinc/83/58/52/373835852.db2.gz IGOZOQVLIIYHGD-UHFFFAOYSA-N 1 1 286.375 3.482 20 30 CGEDMO CC(C)[N@@H+](Cc1nc(C#N)cs1)C1CC(C)(C)C1 ZINC000449780522 373910438 /nfs/dbraw/zinc/91/04/38/373910438.db2.gz GFBOJANLCMRXJW-UHFFFAOYSA-N 1 1 263.410 3.414 20 30 CGEDMO C=CCC1(C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)CCCC1 ZINC000449803790 373933173 /nfs/dbraw/zinc/93/31/73/373933173.db2.gz MEYHJZWTCZFBJE-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC1(C(=O)N(C)CCCn2cc[nH+]c2C)CCCC1 ZINC000450185671 373993136 /nfs/dbraw/zinc/99/31/36/373993136.db2.gz SQSMJUMLKOURHE-UHFFFAOYSA-N 1 1 289.423 3.177 20 30 CGEDMO CC[N@@H+](CC1(C#N)CCC1)[C@@H](COC)Cc1ccccc1 ZINC000450454676 374139888 /nfs/dbraw/zinc/13/98/88/374139888.db2.gz OVXABISUCOQCFR-QGZVFWFLSA-N 1 1 286.419 3.260 20 30 CGEDMO COc1ccc([C@H](C)[NH2+]CC2(C#N)CCC2)cc1F ZINC000450663287 374168917 /nfs/dbraw/zinc/16/89/17/374168917.db2.gz SBNIKXIAIWAQOD-NSHDSACASA-N 1 1 262.328 3.179 20 30 CGEDMO CCCC[C@@H](C)[N@@H+](C)CCOc1ccccc1C#N ZINC000312049136 374267788 /nfs/dbraw/zinc/26/77/88/374267788.db2.gz AUIIMNHDXTUNBD-CQSZACIVSA-N 1 1 260.381 3.448 20 30 CGEDMO CCC[N@@H+](CC)CCNc1nc(C)c(C#N)cc1Cl ZINC000311560564 374247811 /nfs/dbraw/zinc/24/78/11/374247811.db2.gz KOKCUUDGNXKXOQ-UHFFFAOYSA-N 1 1 280.803 3.059 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](CNc2c(C#N)cnc3ccccc32)C1 ZINC000314708900 374320851 /nfs/dbraw/zinc/32/08/51/374320851.db2.gz BOFMNKIBVZQBFF-CQSZACIVSA-N 1 1 294.402 3.249 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCCC[C@@H]1CC(N)=O ZINC000331096167 374504328 /nfs/dbraw/zinc/50/43/28/374504328.db2.gz LUGUXWAOSMTGNW-CQSZACIVSA-N 1 1 291.782 3.492 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCC[C@@H]1CC(N)=O ZINC000331096167 374504332 /nfs/dbraw/zinc/50/43/32/374504332.db2.gz LUGUXWAOSMTGNW-CQSZACIVSA-N 1 1 291.782 3.492 20 30 CGEDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000332158343 374556615 /nfs/dbraw/zinc/55/66/15/374556615.db2.gz UQCXJFKHZIPWOX-WFASDCNBSA-N 1 1 296.374 3.229 20 30 CGEDMO CC[C@@H]1[C@@H](C)CC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000185634796 374702849 /nfs/dbraw/zinc/70/28/49/374702849.db2.gz FQTIBNAEGPHRSF-WCQYABFASA-N 1 1 291.420 3.069 20 30 CGEDMO CC1(C)C[N@@H+](Cc2nc(C#N)cs2)[C@@H]2CCC[C@@H]21 ZINC000334234603 374660021 /nfs/dbraw/zinc/66/00/21/374660021.db2.gz ZZYCWAPUDSHBFP-NWDGAFQWSA-N 1 1 261.394 3.025 20 30 CGEDMO N#C[C@H]1CCC[C@@H](N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000185752519 374729953 /nfs/dbraw/zinc/72/99/53/374729953.db2.gz JOVBJMINIJTDKI-QXAKKESOSA-N 1 1 297.446 3.495 20 30 CGEDMO C[C@@H]1CCCCC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459336650 374804325 /nfs/dbraw/zinc/80/43/25/374804325.db2.gz AUESWBMLPXVTAA-GFCCVEGCSA-N 1 1 273.336 3.231 20 30 CGEDMO C[C@@H]1CCCCC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459336650 374804328 /nfs/dbraw/zinc/80/43/28/374804328.db2.gz AUESWBMLPXVTAA-GFCCVEGCSA-N 1 1 273.336 3.231 20 30 CGEDMO C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459434465 374807571 /nfs/dbraw/zinc/80/75/71/374807571.db2.gz ORAQQTNGXRRPRL-UPJWGTAASA-N 1 1 287.363 3.333 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000334513745 374809696 /nfs/dbraw/zinc/80/96/96/374809696.db2.gz MXESHKKRJNGGHR-GFCCVEGCSA-N 1 1 277.330 3.244 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1F)[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000334531258 374826491 /nfs/dbraw/zinc/82/64/91/374826491.db2.gz QYZBSYRYLJGOLI-GUYCJALGSA-N 1 1 288.366 3.261 20 30 CGEDMO Cc1noc([C@H]2CCC[N@H+]([C@@H](C)c3cccc(C#N)c3)C2)n1 ZINC000186816146 374920994 /nfs/dbraw/zinc/92/09/94/374920994.db2.gz SJTOOAZKAFJXPJ-LRDDRELGSA-N 1 1 296.374 3.190 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H](CC(C)C)C1 ZINC000466735191 374969573 /nfs/dbraw/zinc/96/95/73/374969573.db2.gz ABHFIFKFTACGCX-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)N[C@@H](c1ccccc1)C(C)C ZINC000467297752 374974673 /nfs/dbraw/zinc/97/46/73/374974673.db2.gz QTUJLJSWSNKYJJ-QGZVFWFLSA-N 1 1 274.408 3.008 20 30 CGEDMO C=CCOCCC[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC000470774626 374999161 /nfs/dbraw/zinc/99/91/61/374999161.db2.gz TZMWWMBSRKEVOK-UHFFFAOYSA-N 1 1 277.383 3.425 20 30 CGEDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000470950959 375000632 /nfs/dbraw/zinc/00/06/32/375000632.db2.gz ZYCHJMZCOGLGAF-BXUZGUMPSA-N 1 1 285.284 3.450 20 30 CGEDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000470950959 375000643 /nfs/dbraw/zinc/00/06/43/375000643.db2.gz ZYCHJMZCOGLGAF-BXUZGUMPSA-N 1 1 285.284 3.450 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](O)Cc1ccc2ccccc2c1 ZINC000470874558 375001558 /nfs/dbraw/zinc/00/15/58/375001558.db2.gz SEDBGJGIWUTNDB-GOSISDBHSA-N 1 1 269.388 3.251 20 30 CGEDMO Cc1cccc(C[NH+]2CCN(CCCC(C)(C)C#N)CC2)c1 ZINC000471713605 375006194 /nfs/dbraw/zinc/00/61/94/375006194.db2.gz HDZFLVXCBAASGL-UHFFFAOYSA-N 1 1 299.462 3.443 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](C)CCCOc1cccc(Cl)c1 ZINC000472798693 375035104 /nfs/dbraw/zinc/03/51/04/375035104.db2.gz XKVPJRBBXYAHKO-OAHLLOKOSA-N 1 1 297.826 3.368 20 30 CGEDMO C[C@@H]1CCSCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000335073611 375108282 /nfs/dbraw/zinc/10/82/82/375108282.db2.gz SEZOKUGWDBQNSD-CYBMUJFWSA-N 1 1 260.406 3.080 20 30 CGEDMO N#Cc1csc(C[NH+]2CCC3(CCCC3)CC2)n1 ZINC000334990111 375055734 /nfs/dbraw/zinc/05/57/34/375055734.db2.gz SCGXZPVDHNGICX-UHFFFAOYSA-N 1 1 261.394 3.171 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)cc1 ZINC000475268799 375132507 /nfs/dbraw/zinc/13/25/07/375132507.db2.gz KXNBSADGXRJASN-KDOFPFPSSA-N 1 1 287.403 3.251 20 30 CGEDMO C=C(C)C[N@H+](C)CCOc1ccc(C(=O)OC)cc1Cl ZINC000481292578 375163973 /nfs/dbraw/zinc/16/39/73/375163973.db2.gz ZVIMNLOSKUEGKX-UHFFFAOYSA-N 1 1 297.782 3.013 20 30 CGEDMO C[C@H]1CC(C)(C)C[N@H+]1[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000335188706 375211527 /nfs/dbraw/zinc/21/15/27/375211527.db2.gz IBQCFCMMUHHJOO-FZMZJTMJSA-N 1 1 271.364 3.255 20 30 CGEDMO CC(C)[C@@H]1CN(Cc2ccccc2C(C)(C)C#N)CC[N@H+]1C ZINC000487958493 375288364 /nfs/dbraw/zinc/28/83/64/375288364.db2.gz ZFYCVHTZDWNDBH-SFHVURJKSA-N 1 1 299.462 3.260 20 30 CGEDMO CC(C)[C@@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)CCN1C ZINC000487958493 375288366 /nfs/dbraw/zinc/28/83/66/375288366.db2.gz ZFYCVHTZDWNDBH-SFHVURJKSA-N 1 1 299.462 3.260 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CCN1C ZINC000487958493 375288369 /nfs/dbraw/zinc/28/83/69/375288369.db2.gz ZFYCVHTZDWNDBH-SFHVURJKSA-N 1 1 299.462 3.260 20 30 CGEDMO CC[N@@H+](CCNc1ccc(C#N)cc1)CCC(F)(F)F ZINC000491574616 375332790 /nfs/dbraw/zinc/33/27/90/375332790.db2.gz XHSBPAUNNBJDBC-UHFFFAOYSA-N 1 1 285.313 3.244 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000335756625 375404032 /nfs/dbraw/zinc/40/40/32/375404032.db2.gz SRQZMNUNEWHMOK-KRWDZBQOSA-N 1 1 288.366 3.090 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000335756625 375404040 /nfs/dbraw/zinc/40/40/40/375404040.db2.gz SRQZMNUNEWHMOK-KRWDZBQOSA-N 1 1 288.366 3.090 20 30 CGEDMO C[N@@H+](Cc1cccc2[nH]ccc21)C[C@@H](C#N)CCC#N ZINC000494108870 375485008 /nfs/dbraw/zinc/48/50/08/375485008.db2.gz QEJHGRXPBSUYIY-CYBMUJFWSA-N 1 1 266.348 3.043 20 30 CGEDMO C[N@H+](Cc1cccc2[nH]ccc21)C[C@@H](C#N)CCC#N ZINC000494108870 375485019 /nfs/dbraw/zinc/48/50/19/375485019.db2.gz QEJHGRXPBSUYIY-CYBMUJFWSA-N 1 1 266.348 3.043 20 30 CGEDMO C=CC[N@H+](C)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000494638795 375490160 /nfs/dbraw/zinc/49/01/60/375490160.db2.gz SKVNSPZPTXCXHB-UHFFFAOYSA-N 1 1 267.756 3.119 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)ccc1C#N ZINC000335933689 375550127 /nfs/dbraw/zinc/55/01/27/375550127.db2.gz NSHGURWUJXKDLX-IRXDYDNUSA-N 1 1 270.376 3.010 20 30 CGEDMO N#CCCC[N@@H+](CCc1ccccc1)Cc1cccnc1 ZINC000191347978 375614005 /nfs/dbraw/zinc/61/40/05/375614005.db2.gz MXQPMBASNKDVPL-UHFFFAOYSA-N 1 1 279.387 3.430 20 30 CGEDMO CCC(C)(C)[C@H]1CCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191422163 375625816 /nfs/dbraw/zinc/62/58/16/375625816.db2.gz OQXCXBASKFTIAH-OAHLLOKOSA-N 1 1 259.397 3.297 20 30 CGEDMO CC[N@H+]1C[C@H](C)N(CC#Cc2ccccc2Cl)C[C@H]1C ZINC000498907126 375629204 /nfs/dbraw/zinc/62/92/04/375629204.db2.gz ZRGOFOKRSZCOOV-CABCVRRESA-N 1 1 290.838 3.106 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000121170367 542015213 /nfs/dbraw/zinc/01/52/13/542015213.db2.gz QRRHCOPCCLBWRG-MRXNPFEDSA-N 1 1 297.402 3.354 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1 ZINC000121170367 542015216 /nfs/dbraw/zinc/01/52/16/542015216.db2.gz QRRHCOPCCLBWRG-MRXNPFEDSA-N 1 1 297.402 3.354 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)cc1 ZINC000121170367 542015218 /nfs/dbraw/zinc/01/52/18/542015218.db2.gz QRRHCOPCCLBWRG-MRXNPFEDSA-N 1 1 297.402 3.354 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)N[C@H](C)CCC ZINC000502466839 375645732 /nfs/dbraw/zinc/64/57/32/375645732.db2.gz IHVNYYLLDAVBMN-CVEARBPZSA-N 1 1 288.435 3.368 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)N[C@H](C)CCC ZINC000502466839 375645734 /nfs/dbraw/zinc/64/57/34/375645734.db2.gz IHVNYYLLDAVBMN-CVEARBPZSA-N 1 1 288.435 3.368 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(N(C)C)nc1 ZINC000123699086 542028503 /nfs/dbraw/zinc/02/85/03/542028503.db2.gz GNHCYGBIYDNBAP-UHFFFAOYSA-N 1 1 281.403 3.336 20 30 CGEDMO CC[N@H+](CCC#N)C/C(C)=C\c1ccccc1COC ZINC000507118494 375675258 /nfs/dbraw/zinc/67/52/58/375675258.db2.gz CNIJNROYTSSJRU-QINSGFPZSA-N 1 1 272.392 3.472 20 30 CGEDMO CC[N@@H+](CCC#N)C/C(C)=C\c1ccccc1COC ZINC000507118494 375675270 /nfs/dbraw/zinc/67/52/70/375675270.db2.gz CNIJNROYTSSJRU-QINSGFPZSA-N 1 1 272.392 3.472 20 30 CGEDMO Cc1cc(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)ccc1C#N ZINC000336096254 375684342 /nfs/dbraw/zinc/68/43/42/375684342.db2.gz XPIOKURHLMRJRY-RDTXWAMCSA-N 1 1 294.402 3.146 20 30 CGEDMO C[C@@H]1[N@@H+](Cc2cccc(F)c2C#N)CCC12CCOCC2 ZINC000336115497 375696894 /nfs/dbraw/zinc/69/68/94/375696894.db2.gz IQBJECIXQBGTOS-ZDUSSCGKSA-N 1 1 288.366 3.088 20 30 CGEDMO C[N@H+]1CCCC12CCN(c1ccc(C#N)c(Cl)c1)CC2 ZINC000336179445 375751802 /nfs/dbraw/zinc/75/18/02/375751802.db2.gz AIJGPOKYRHKDDX-UHFFFAOYSA-N 1 1 289.810 3.276 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](Cc1c(F)cccc1F)C1CC1 ZINC000192300763 375728014 /nfs/dbraw/zinc/72/80/14/375728014.db2.gz KZLCFPLPUUZPPA-ZDUSSCGKSA-N 1 1 281.346 3.256 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](Cc1c(F)cccc1F)C1CC1 ZINC000192300763 375728018 /nfs/dbraw/zinc/72/80/18/375728018.db2.gz KZLCFPLPUUZPPA-ZDUSSCGKSA-N 1 1 281.346 3.256 20 30 CGEDMO C=C(C)CC[N@H+](CCC)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000509670067 375782328 /nfs/dbraw/zinc/78/23/28/375782328.db2.gz IQQHGJRQANIJNI-RBSFLKMASA-N 1 1 251.414 3.478 20 30 CGEDMO N#C[C@@H]1CC[C@H]([NH+]2CCN(c3ccccc3Cl)CC2)C1 ZINC000336435495 375793707 /nfs/dbraw/zinc/79/37/07/375793707.db2.gz OQVKZTKUWUETDN-KGLIPLIRSA-N 1 1 289.810 3.154 20 30 CGEDMO FC(F)OC[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000512835042 375799103 /nfs/dbraw/zinc/79/91/03/375799103.db2.gz UXQJLSXEPQVKNS-CYBMUJFWSA-N 1 1 299.748 3.253 20 30 CGEDMO C=C(CC)C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000511759472 375792178 /nfs/dbraw/zinc/79/21/78/375792178.db2.gz UTEBXIOIVNYFOF-KURKYZTESA-N 1 1 271.404 3.457 20 30 CGEDMO C=CCCCCCN1CCC([NH+]2CCCC2)CC1 ZINC000193310809 375857361 /nfs/dbraw/zinc/85/73/61/375857361.db2.gz GCASBKNLPDSRQQ-UHFFFAOYSA-N 1 1 250.430 3.293 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC2(C1)CCCCC2 ZINC000525124638 375881334 /nfs/dbraw/zinc/88/13/34/375881334.db2.gz DAFJXXHMQVEELZ-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@H+](C)CCc1ccc(Br)cc1 ZINC000525328861 375882462 /nfs/dbraw/zinc/88/24/62/375882462.db2.gz PKLOQKGJYFYQHR-UHFFFAOYSA-N 1 1 268.198 3.500 20 30 CGEDMO N#CC1(C[C@H](O)C[N@H+]2CC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000528394434 375900275 /nfs/dbraw/zinc/90/02/75/375900275.db2.gz HQIGESQPTLJWSN-GJZGRUSLSA-N 1 1 290.794 3.142 20 30 CGEDMO C[C@@H]1CC(F)(F)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000528767606 375910005 /nfs/dbraw/zinc/91/00/05/375910005.db2.gz JUZHOTFRBCRZSO-GFCCVEGCSA-N 1 1 267.294 3.297 20 30 CGEDMO C[C@@H]1CC(F)(F)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000528767606 375910011 /nfs/dbraw/zinc/91/00/11/375910011.db2.gz JUZHOTFRBCRZSO-GFCCVEGCSA-N 1 1 267.294 3.297 20 30 CGEDMO CC[C@H](C)C[N@@H+](CC)Cc1cccc(C(=O)OC)c1C#N ZINC000535207742 376030604 /nfs/dbraw/zinc/03/06/04/376030604.db2.gz SWGNVSJASZBIJY-ZDUSSCGKSA-N 1 1 288.391 3.213 20 30 CGEDMO CC(C)[C@@H](C)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000337142231 376096650 /nfs/dbraw/zinc/09/66/50/376096650.db2.gz WVEWSVLFZWWORM-CQSZACIVSA-N 1 1 252.402 3.063 20 30 CGEDMO C=CCN1CC[C@H]([N@H+]2CCCCC[C@H]2c2ccccc2)C1=O ZINC000337147977 376102729 /nfs/dbraw/zinc/10/27/29/376102729.db2.gz ZSWKWFWIVWEINQ-ROUUACIJSA-N 1 1 298.430 3.391 20 30 CGEDMO CC(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(C#N)cc1 ZINC000536637603 376104987 /nfs/dbraw/zinc/10/49/87/376104987.db2.gz XYMLXJYDRUGGQH-UHFFFAOYSA-N 1 1 298.386 3.302 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](CCCCC1CCOCC1)C1CC1 ZINC000337198410 376130771 /nfs/dbraw/zinc/13/07/71/376130771.db2.gz ZRDATWOUPKQNST-AWEZNQCLSA-N 1 1 264.413 3.207 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2c2cccc(C)c2C)C1=O ZINC000337197414 376131199 /nfs/dbraw/zinc/13/11/99/376131199.db2.gz XDLAPQAMTDZDKU-ROUUACIJSA-N 1 1 298.430 3.227 20 30 CGEDMO C[C@H]1c2ccsc2CC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000218348535 376187714 /nfs/dbraw/zinc/18/77/14/376187714.db2.gz BDNPMWQLEDASSR-BLLLJJGKSA-N 1 1 298.411 3.272 20 30 CGEDMO N#Cc1ccc(C2=CC[N@H+](Cc3cncs3)CC2)cc1 ZINC000334274331 206293758 /nfs/dbraw/zinc/29/37/58/206293758.db2.gz LTRXCWFUZPMDAM-UHFFFAOYSA-N 1 1 281.384 3.304 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3cncs3)CC2)cc1 ZINC000334274331 206293762 /nfs/dbraw/zinc/29/37/62/206293762.db2.gz LTRXCWFUZPMDAM-UHFFFAOYSA-N 1 1 281.384 3.304 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)CCC)C1 ZINC000538139541 376223610 /nfs/dbraw/zinc/22/36/10/376223610.db2.gz SBQOFCCANSUFTO-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCc1ccccc1NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000337597011 376231714 /nfs/dbraw/zinc/23/17/14/376231714.db2.gz KEICPRHRUZOQDN-HNNXBMFYSA-N 1 1 287.407 3.021 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C[C@@H]1CCCC(F)(F)C1)C1CC1 ZINC000338286606 376315018 /nfs/dbraw/zinc/31/50/18/376315018.db2.gz NJSHKNHBKDDYQS-NWDGAFQWSA-N 1 1 256.340 3.436 20 30 CGEDMO C=CC[N@@H+](CCSC(C)C)CCc1ccco1 ZINC000338288036 376316045 /nfs/dbraw/zinc/31/60/45/376316045.db2.gz GEXMVNYZPXPWJK-UHFFFAOYSA-N 1 1 253.411 3.452 20 30 CGEDMO C=C(CC)C[N@H+](CCC)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000539103680 376295435 /nfs/dbraw/zinc/29/54/35/376295435.db2.gz AWWPLFGZCTYTKH-ZNMIVQPWSA-N 1 1 251.414 3.478 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CC[C@H](Nc3ccccc3)C2)cc1 ZINC000541283340 376434874 /nfs/dbraw/zinc/43/48/74/376434874.db2.gz XZBXOJZUZWTDRB-IBGZPJMESA-N 1 1 291.398 3.439 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000542318299 376532567 /nfs/dbraw/zinc/53/25/67/376532567.db2.gz WRUXWPGBFOJMCB-IAGOWNOFSA-N 1 1 259.393 3.111 20 30 CGEDMO COc1cc(C[N@H+]2CC[C@H](C(C)(C)C)C2)ccc1C#N ZINC000234998867 376626306 /nfs/dbraw/zinc/62/63/06/376626306.db2.gz BIEFBMUADDTATQ-HNNXBMFYSA-N 1 1 272.392 3.435 20 30 CGEDMO C=CCCC[NH2+][C@H](C)c1noc(Cc2ccccc2)n1 ZINC000543540983 376652051 /nfs/dbraw/zinc/65/20/51/376652051.db2.gz AQLCMDWCSMZOPF-CYBMUJFWSA-N 1 1 271.364 3.277 20 30 CGEDMO C[C@@H](C#N)C[N@H+](C[C@H](C)Cc1ccccc1)C1CC1 ZINC000544405909 376731112 /nfs/dbraw/zinc/73/11/12/376731112.db2.gz VKZPUFLESCPYFT-CABCVRRESA-N 1 1 256.393 3.489 20 30 CGEDMO C=CCOCC[N@H+](C)[C@@H](COC)c1ccc(Cl)cc1 ZINC000339135741 376701557 /nfs/dbraw/zinc/70/15/57/376701557.db2.gz KLCMCYJWTWDBFB-HNNXBMFYSA-N 1 1 283.799 3.162 20 30 CGEDMO C=C1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)CC1 ZINC000264498742 190114346 /nfs/dbraw/zinc/11/43/46/190114346.db2.gz VDBNRHPKYNISCV-KGLIPLIRSA-N 1 1 290.382 3.043 20 30 CGEDMO C[N@@H+](CCOc1ccc(C#N)cc1)C[C@@H]1CC=CCC1 ZINC000544113883 376705603 /nfs/dbraw/zinc/70/56/03/376705603.db2.gz FSJLKKOXIJNDJY-MRXNPFEDSA-N 1 1 270.376 3.225 20 30 CGEDMO CCc1ccc([C@H]2CCC[N@@H+](CCOCCC#N)C2)cc1 ZINC000339195861 376734812 /nfs/dbraw/zinc/73/48/12/376734812.db2.gz ODFHBQVMTQACDB-SFHVURJKSA-N 1 1 286.419 3.359 20 30 CGEDMO C=CCOCC[N@@H+]1CC[C@H](c2ccccc2)C[C@H]1C ZINC000555501716 376857745 /nfs/dbraw/zinc/85/77/45/376857745.db2.gz LQWNKOWPIMHQEA-WBVHZDCISA-N 1 1 259.393 3.457 20 30 CGEDMO C[C@@H](NCC[N@@H+]1CCCC[C@@H]1C)c1cccc(C#N)c1 ZINC000245891861 376926432 /nfs/dbraw/zinc/92/64/32/376926432.db2.gz MIXNUDAUJWJUJS-LSDHHAIUSA-N 1 1 271.408 3.083 20 30 CGEDMO C[C@@H](NCC[N@H+]1CCCC[C@@H]1C)c1cccc(C#N)c1 ZINC000245891861 376926441 /nfs/dbraw/zinc/92/64/41/376926441.db2.gz MIXNUDAUJWJUJS-LSDHHAIUSA-N 1 1 271.408 3.083 20 30 CGEDMO COc1ccc(C[N@@H+](C)C2Cc3ccccc3C2)cc1C#N ZINC000340181167 376938310 /nfs/dbraw/zinc/93/83/10/376938310.db2.gz IHBFVXRRBDKJFX-UHFFFAOYSA-N 1 1 292.382 3.166 20 30 CGEDMO COc1ccc(C[N@H+]2C[C@H](C)CC2(C)C)cc1C#N ZINC000340195955 376944808 /nfs/dbraw/zinc/94/48/08/376944808.db2.gz HPCUVWNJNAGAQR-GFCCVEGCSA-N 1 1 258.365 3.187 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@H]3CCC[C@H]32)ccc1F ZINC000246569222 377052777 /nfs/dbraw/zinc/05/27/77/377052777.db2.gz LCAKPKWGOHANEK-CZUORRHYSA-N 1 1 258.340 3.462 20 30 CGEDMO Cn1cc(C[NH2+]Cc2c(Cl)cccc2Cl)cc1C#N ZINC000558761039 377042038 /nfs/dbraw/zinc/04/20/38/377042038.db2.gz SEBGMGSGHLJTJX-UHFFFAOYSA-N 1 1 294.185 3.493 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000247263694 377185305 /nfs/dbraw/zinc/18/53/05/377185305.db2.gz GMPIOTGGQUNYKF-WBVHZDCISA-N 1 1 261.409 3.185 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000247273338 377188026 /nfs/dbraw/zinc/18/80/26/377188026.db2.gz GUIDRUGRGVCACY-QLFBSQMISA-N 1 1 263.381 3.380 20 30 CGEDMO COc1ccc2c(c1)CC[N@H+](Cc1ccccc1C#N)CC2 ZINC000340734811 377242113 /nfs/dbraw/zinc/24/21/13/377242113.db2.gz GUTKWDGPIKFQBL-UHFFFAOYSA-N 1 1 292.382 3.168 20 30 CGEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cccc(C#N)c2F)C1(C)C ZINC000340902038 377312682 /nfs/dbraw/zinc/31/26/82/377312682.db2.gz STTDFFAXBRNEPG-GJZGRUSLSA-N 1 1 290.382 3.333 20 30 CGEDMO CC(C)[N@@H+](Cc1cccc(C#N)c1F)C1CCOCC1 ZINC000340828049 377275124 /nfs/dbraw/zinc/27/51/24/377275124.db2.gz AWLKIQHAZJTMDU-UHFFFAOYSA-N 1 1 276.355 3.087 20 30 CGEDMO CCC[N@H+](Cc1snnc1C)Cc1ccc(C#N)cc1 ZINC000562442820 377309416 /nfs/dbraw/zinc/30/94/16/377309416.db2.gz BIYVTMZAPNMPKF-UHFFFAOYSA-N 1 1 286.404 3.130 20 30 CGEDMO CCC[N@@H+](Cc1snnc1C)Cc1ccc(C#N)cc1 ZINC000562442820 377309424 /nfs/dbraw/zinc/30/94/24/377309424.db2.gz BIYVTMZAPNMPKF-UHFFFAOYSA-N 1 1 286.404 3.130 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H]1C ZINC000563216495 377421327 /nfs/dbraw/zinc/42/13/27/377421327.db2.gz KTGCKTMNULURBO-VXGBXAGGSA-N 1 1 273.336 3.087 20 30 CGEDMO CCCC[N@@H+](C)C[C@H](C)Nc1nc(C)cc(C)c1C#N ZINC000341129352 377411501 /nfs/dbraw/zinc/41/15/01/377411501.db2.gz STDDMGYZPNMLMG-AWEZNQCLSA-N 1 1 274.412 3.102 20 30 CGEDMO C[C@H](C#N)C[N@@H+](CC1Cc2ccccc2C1)C1CC1 ZINC000567287759 377506045 /nfs/dbraw/zinc/50/60/45/377506045.db2.gz OMYCQQGODPMOJU-CYBMUJFWSA-N 1 1 254.377 3.025 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC000564583785 377477025 /nfs/dbraw/zinc/47/70/25/377477025.db2.gz GUBTVCJWZOKVOU-WKILWMFISA-N 1 1 275.392 3.074 20 30 CGEDMO Cc1ccnc([C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)c1 ZINC000564586749 377477759 /nfs/dbraw/zinc/47/77/59/377477759.db2.gz WMQQULSWPXMCLL-SFHVURJKSA-N 1 1 276.383 3.231 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000566248214 377494997 /nfs/dbraw/zinc/49/49/97/377494997.db2.gz VFVDZXIRRVFZCT-HNNXBMFYSA-N 1 1 257.381 3.201 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000568602420 377520401 /nfs/dbraw/zinc/52/04/01/377520401.db2.gz ZQVDNDDJOHHZBA-KGLIPLIRSA-N 1 1 280.412 3.122 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNCCC#N ZINC000568618054 377521475 /nfs/dbraw/zinc/52/14/75/377521475.db2.gz HCSJENIYSYUKIR-OAHLLOKOSA-N 1 1 271.408 3.064 20 30 CGEDMO CC[C@H](CSC)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000091097642 249030547 /nfs/dbraw/zinc/03/05/47/249030547.db2.gz IXRHADFWXORZKK-CQSZACIVSA-N 1 1 278.421 3.010 20 30 CGEDMO C[C@H]([N@@H+](C)Cc1cn2ccccc2c1C#N)C1(C)CC1 ZINC000177215685 249053227 /nfs/dbraw/zinc/05/32/27/249053227.db2.gz CQKDFABZUNRNPQ-ZDUSSCGKSA-N 1 1 267.376 3.431 20 30 CGEDMO N#CCC[NH2+][C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000570795378 377539742 /nfs/dbraw/zinc/53/97/42/377539742.db2.gz RTQADNXZBBVEIQ-ZYHUDNBSSA-N 1 1 254.255 3.065 20 30 CGEDMO C=CCCCC[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000569308029 377528089 /nfs/dbraw/zinc/52/80/89/377528089.db2.gz XNZWRLAXMMVVBF-CABCVRRESA-N 1 1 269.454 3.329 20 30 CGEDMO C=CC[NH+]1CCC(NCc2ccc(C)cc2Cl)CC1 ZINC000572608156 377549308 /nfs/dbraw/zinc/54/93/08/377549308.db2.gz XFNARLRLWUIVGR-UHFFFAOYSA-N 1 1 278.827 3.388 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000265436937 190182126 /nfs/dbraw/zinc/18/21/26/190182126.db2.gz HCXMYVIDCXZGPC-ZDUSSCGKSA-N 1 1 281.421 3.049 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000181272444 542218584 /nfs/dbraw/zinc/21/85/84/542218584.db2.gz JQEGWDKQAGYHBE-UHFFFAOYSA-N 1 1 260.312 3.489 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ncc(-c2ccc(F)cc2)o1 ZINC000181272444 542218587 /nfs/dbraw/zinc/21/85/87/542218587.db2.gz JQEGWDKQAGYHBE-UHFFFAOYSA-N 1 1 260.312 3.489 20 30 CGEDMO N#CCCC[NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000342545706 377657987 /nfs/dbraw/zinc/65/79/87/377657987.db2.gz ODZGMOLZARFTOH-KRWDZBQOSA-N 1 1 293.370 3.260 20 30 CGEDMO C[C@@H]1CC[N@@H+](CCCOc2cccc(C#N)c2)C[C@H]1C ZINC000252727140 377658111 /nfs/dbraw/zinc/65/81/11/377658111.db2.gz ATLRKEMWZAFCOR-HUUCEWRRSA-N 1 1 272.392 3.305 20 30 CGEDMO CCC[C@@H]1CCCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000342768725 377780470 /nfs/dbraw/zinc/78/04/70/377780470.db2.gz MQHMSFJIBNSPQN-OAHLLOKOSA-N 1 1 282.391 3.361 20 30 CGEDMO Cc1nsc(NC[C@@H]2CCCC[N@@H+]2CC(C)C)c1C#N ZINC000342780009 377785860 /nfs/dbraw/zinc/78/58/60/377785860.db2.gz LWERZCVJBWEOHE-ZDUSSCGKSA-N 1 1 292.452 3.246 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(CC)cc1 ZINC000342738119 377766975 /nfs/dbraw/zinc/76/69/75/377766975.db2.gz SBHHVGNRDIDQOZ-ZDUSSCGKSA-N 1 1 260.381 3.084 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000342740732 377768081 /nfs/dbraw/zinc/76/80/81/377768081.db2.gz WNVLFNVGGRGGMS-UHFFFAOYSA-N 1 1 286.297 3.152 20 30 CGEDMO COc1c(C)cc(C[N@H+](C)CC2(C#N)CC2)cc1C ZINC000258940196 377801462 /nfs/dbraw/zinc/80/14/62/377801462.db2.gz PRXPYWVULRFSPC-UHFFFAOYSA-N 1 1 258.365 3.048 20 30 CGEDMO COc1c(C)cc(C[N@@H+](C)CC2(C#N)CC2)cc1C ZINC000258940196 377801469 /nfs/dbraw/zinc/80/14/69/377801469.db2.gz PRXPYWVULRFSPC-UHFFFAOYSA-N 1 1 258.365 3.048 20 30 CGEDMO C[C@@H]([NH2+]CCc1ccc2cn[nH]c2c1)c1cccc(C#N)c1 ZINC000342811158 377811681 /nfs/dbraw/zinc/81/16/81/377811681.db2.gz CLTJFRDBRIACET-CYBMUJFWSA-N 1 1 290.370 3.328 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1cnc(C(C)(C)C)nc1 ZINC000342791620 377794886 /nfs/dbraw/zinc/79/48/86/377794886.db2.gz OONXGKYXVPHTOX-UHFFFAOYSA-N 1 1 294.402 3.278 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cnc(C(C)(C)C)nc1 ZINC000342791620 377794887 /nfs/dbraw/zinc/79/48/87/377794887.db2.gz OONXGKYXVPHTOX-UHFFFAOYSA-N 1 1 294.402 3.278 20 30 CGEDMO N#Cc1cccc(OCC[N@H+]2CCC[C@@H]2C2CCC2)c1 ZINC000342995989 377878573 /nfs/dbraw/zinc/87/85/73/377878573.db2.gz AONQSLCYOWMUAD-QGZVFWFLSA-N 1 1 270.376 3.202 20 30 CGEDMO C[N@@H+](CCCCC#N)CCOc1ccccc1Cl ZINC000263776931 377951138 /nfs/dbraw/zinc/95/11/38/377951138.db2.gz DZWDDZBDVAJBFN-UHFFFAOYSA-N 1 1 266.772 3.344 20 30 CGEDMO CCC[N@@H+](CC1(C#N)CC1)[C@H]1C[C@H](OCC)C1(C)C ZINC000343320764 377952231 /nfs/dbraw/zinc/95/22/31/377952231.db2.gz MNCHFSQPKAUPKG-KBPBESRZSA-N 1 1 264.413 3.206 20 30 CGEDMO C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000343331565 377954704 /nfs/dbraw/zinc/95/47/04/377954704.db2.gz CJRFUTYUECETNT-BBRMVZONSA-N 1 1 282.391 3.216 20 30 CGEDMO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(CC#N)cc2)C[C@H]1C ZINC000343539799 378012077 /nfs/dbraw/zinc/01/20/77/378012077.db2.gz QCQXFUCKVZCCIO-QAPCUYQASA-N 1 1 285.435 3.057 20 30 CGEDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(CC#N)cc2)C[C@H]1C ZINC000343539799 378012081 /nfs/dbraw/zinc/01/20/81/378012081.db2.gz QCQXFUCKVZCCIO-QAPCUYQASA-N 1 1 285.435 3.057 20 30 CGEDMO CCN1CC[C@H]([N@H+](C)Cc2ccc(CC#N)cc2)C[C@H]1C ZINC000343539799 378012084 /nfs/dbraw/zinc/01/20/84/378012084.db2.gz QCQXFUCKVZCCIO-QAPCUYQASA-N 1 1 285.435 3.057 20 30 CGEDMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(CC#N)cc2)C[C@H]1C ZINC000343539799 378012088 /nfs/dbraw/zinc/01/20/88/378012088.db2.gz QCQXFUCKVZCCIO-QAPCUYQASA-N 1 1 285.435 3.057 20 30 CGEDMO C[C@H](C#N)C[N@H+](CCc1cccc(F)c1F)C1CC1 ZINC000343440253 377979873 /nfs/dbraw/zinc/97/98/73/377979873.db2.gz ZYYGRPOGHLKACO-LLVKDONJSA-N 1 1 264.319 3.131 20 30 CGEDMO C[C@H](C#N)C[N@@H+](CCc1cccc(F)c1F)C1CC1 ZINC000343440253 377979877 /nfs/dbraw/zinc/97/98/77/377979877.db2.gz ZYYGRPOGHLKACO-LLVKDONJSA-N 1 1 264.319 3.131 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2ccc(OCC#N)cc2)CC1 ZINC000264574828 377988671 /nfs/dbraw/zinc/98/86/71/377988671.db2.gz TYCWUVVUUBCNOE-AWEZNQCLSA-N 1 1 258.365 3.211 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000343592029 378032260 /nfs/dbraw/zinc/03/22/60/378032260.db2.gz RSPZQKDNDANZCY-INIZCTEOSA-N 1 1 290.382 3.219 20 30 CGEDMO C=CCC(CC=C)C(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000343615240 378041851 /nfs/dbraw/zinc/04/18/51/378041851.db2.gz RCSHECWBCXLKHW-ZBFHGGJFSA-N 1 1 278.440 3.086 20 30 CGEDMO C=CC[N@@H+](CC=C(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000343624546 378044582 /nfs/dbraw/zinc/04/45/82/378044582.db2.gz WRLSERDHJFAESF-HNNXBMFYSA-N 1 1 297.406 3.178 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccsc2)nc1 ZINC000578450498 378071305 /nfs/dbraw/zinc/07/13/05/378071305.db2.gz CLIHDRSSTQMLGG-HNNXBMFYSA-N 1 1 269.373 3.352 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccsc2)nc1 ZINC000578450498 378071312 /nfs/dbraw/zinc/07/13/12/378071312.db2.gz CLIHDRSSTQMLGG-HNNXBMFYSA-N 1 1 269.373 3.352 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@H]1CCCc2nc(C)sc21 ZINC000268564476 378075246 /nfs/dbraw/zinc/07/52/46/378075246.db2.gz PUUAXFFPHWKLPV-JSGCOSHPSA-N 1 1 280.437 3.088 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)[C@H](C)c1sc(CC)nc1C ZINC000268577278 378076700 /nfs/dbraw/zinc/07/67/00/378076700.db2.gz SDVQTELOMUXGFA-CHWSQXEVSA-N 1 1 282.453 3.334 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000268585966 378077709 /nfs/dbraw/zinc/07/77/09/378077709.db2.gz UQYRBKFAOSFCNF-GJZGRUSLSA-N 1 1 265.784 3.414 20 30 CGEDMO CC[N@H+](Cc1ccccc1C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000268653348 378087355 /nfs/dbraw/zinc/08/73/55/378087355.db2.gz WGQSTRJPTVFTDD-LJQANCHMSA-N 1 1 294.398 3.422 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000268680575 378089657 /nfs/dbraw/zinc/08/96/57/378089657.db2.gz WYVYAIKNDOEBJS-WCQYABFASA-N 1 1 269.335 3.285 20 30 CGEDMO C=CCCC[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000579411354 378158066 /nfs/dbraw/zinc/15/80/66/378158066.db2.gz MRHVQDAQOVYERW-MRXNPFEDSA-N 1 1 256.393 3.090 20 30 CGEDMO Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CCCC#N ZINC000270093915 378305492 /nfs/dbraw/zinc/30/54/92/378305492.db2.gz AXOJSFQCIWOGMV-OAHLLOKOSA-N 1 1 282.391 3.113 20 30 CGEDMO CCCc1csc(C[NH2+]Cc2ccc(CC#N)cc2)n1 ZINC000583812057 378348980 /nfs/dbraw/zinc/34/89/80/378348980.db2.gz OLDNHJAWQBEJOI-UHFFFAOYSA-N 1 1 285.416 3.451 20 30 CGEDMO CO[C@@]1(C)C[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1(C)C ZINC000345766585 378365529 /nfs/dbraw/zinc/36/55/29/378365529.db2.gz ZLIOFSPAMVXMIB-RDJZCZTQSA-N 1 1 290.382 3.333 20 30 CGEDMO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1(C)C ZINC000345766585 378365533 /nfs/dbraw/zinc/36/55/33/378365533.db2.gz ZLIOFSPAMVXMIB-RDJZCZTQSA-N 1 1 290.382 3.333 20 30 CGEDMO CCO[C@H]1C[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C1(C)C ZINC000345878356 378396235 /nfs/dbraw/zinc/39/62/35/378396235.db2.gz GOYSLHKOVPUGKZ-HOTGVXAUSA-N 1 1 290.382 3.333 20 30 CGEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C1(C)C ZINC000345878356 378396238 /nfs/dbraw/zinc/39/62/38/378396238.db2.gz GOYSLHKOVPUGKZ-HOTGVXAUSA-N 1 1 290.382 3.333 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595507112 378402327 /nfs/dbraw/zinc/40/23/27/378402327.db2.gz KBOMCSRUPSHWDA-CRAIPNDOSA-N 1 1 283.419 3.037 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000595507112 378402356 /nfs/dbraw/zinc/40/23/56/378402356.db2.gz KBOMCSRUPSHWDA-CRAIPNDOSA-N 1 1 283.419 3.037 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000595507112 378402362 /nfs/dbraw/zinc/40/23/62/378402362.db2.gz KBOMCSRUPSHWDA-CRAIPNDOSA-N 1 1 283.419 3.037 20 30 CGEDMO CCc1cccc2c1OCC[C@H]2[NH2+]C[C@@H](C#N)CCC#N ZINC000584345976 378378359 /nfs/dbraw/zinc/37/83/59/378378359.db2.gz MMGLMLJPXWDWOD-CZUORRHYSA-N 1 1 283.375 3.106 20 30 CGEDMO C#CCC[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000270677348 378386274 /nfs/dbraw/zinc/38/62/74/378386274.db2.gz YBCBLFYZBFNJAO-CYBMUJFWSA-N 1 1 274.433 3.225 20 30 CGEDMO N#CCCC[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000271169866 378467963 /nfs/dbraw/zinc/46/79/63/378467963.db2.gz MAAJVSNVOCFRNA-UHFFFAOYSA-N 1 1 287.190 3.091 20 30 CGEDMO CC[C@H]1CC[C@H](C)[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000271455352 378493457 /nfs/dbraw/zinc/49/34/57/378493457.db2.gz DJDKCDIGHYRSDV-HOTGVXAUSA-N 1 1 299.418 3.196 20 30 CGEDMO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2ccc(C#N)c(F)c2)n[nH]1 ZINC000271949316 378526907 /nfs/dbraw/zinc/52/69/07/378526907.db2.gz ODWLYHXXSHCFGL-ZYHUDNBSSA-N 1 1 286.354 3.011 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC[C@H]1CCCO1 ZINC000346282660 378532059 /nfs/dbraw/zinc/53/20/59/378532059.db2.gz RFRXBHCSSKJTIO-KURKYZTESA-N 1 1 284.403 3.327 20 30 CGEDMO C=CC[N@H+](CCOC1CCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000346840402 378694854 /nfs/dbraw/zinc/69/48/54/378694854.db2.gz SIXYRGIWWKRPAB-UHFFFAOYSA-N 1 1 290.363 3.152 20 30 CGEDMO C#CCCC[N@@H+](Cc1ccco1)Cc1cccnc1 ZINC000272926685 378723731 /nfs/dbraw/zinc/72/37/31/378723731.db2.gz PGRYDAGIVCIMTM-UHFFFAOYSA-N 1 1 254.333 3.090 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCSc2ccc(C#N)cn2)C1 ZINC000566497649 322127009 /nfs/dbraw/zinc/12/70/09/322127009.db2.gz FPGRMKSJENLNKV-BETUJISGSA-N 1 1 275.421 3.023 20 30 CGEDMO C=C(C)CN1CCC([NH2+]Cc2c(C)cccc2OC)CC1 ZINC000638525244 378826306 /nfs/dbraw/zinc/82/63/06/378826306.db2.gz VSTNOVGFKITORU-UHFFFAOYSA-N 1 1 288.435 3.134 20 30 CGEDMO C=C(C)CC[N@@H+]1CCSC[C@H]1c1nccs1 ZINC000274810023 378900023 /nfs/dbraw/zinc/90/00/23/378900023.db2.gz HOSYVPFLTMSOGN-NSHDSACASA-N 1 1 254.424 3.199 20 30 CGEDMO C=C(C)CC[N@H+]1CCSC[C@H]1c1nccs1 ZINC000274810023 378900028 /nfs/dbraw/zinc/90/00/28/378900028.db2.gz HOSYVPFLTMSOGN-NSHDSACASA-N 1 1 254.424 3.199 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000278565009 194046948 /nfs/dbraw/zinc/04/69/48/194046948.db2.gz VXZJBFJYNKMVLU-AWEZNQCLSA-N 1 1 262.401 3.039 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000278565009 194046950 /nfs/dbraw/zinc/04/69/50/194046950.db2.gz VXZJBFJYNKMVLU-AWEZNQCLSA-N 1 1 262.401 3.039 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000278565009 194046951 /nfs/dbraw/zinc/04/69/51/194046951.db2.gz VXZJBFJYNKMVLU-AWEZNQCLSA-N 1 1 262.401 3.039 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000278565009 194046954 /nfs/dbraw/zinc/04/69/54/194046954.db2.gz VXZJBFJYNKMVLU-AWEZNQCLSA-N 1 1 262.401 3.039 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000278565009 194046955 /nfs/dbraw/zinc/04/69/55/194046955.db2.gz VXZJBFJYNKMVLU-AWEZNQCLSA-N 1 1 262.401 3.039 20 30 CGEDMO Cn1cc(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)cc1C#N ZINC000276740497 378990324 /nfs/dbraw/zinc/99/03/24/378990324.db2.gz IWVLQZQOCRTZQW-HNNXBMFYSA-N 1 1 283.350 3.025 20 30 CGEDMO N#Cc1cc(F)ccc1C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000347351489 218202028 /nfs/dbraw/zinc/20/20/28/218202028.db2.gz BOFMEGYSEKWMHN-QGZVFWFLSA-N 1 1 281.334 3.333 20 30 CGEDMO CSCC[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000371785439 379177415 /nfs/dbraw/zinc/17/74/15/379177415.db2.gz NJRUUPPSIRAJBR-GJZGRUSLSA-N 1 1 260.406 3.121 20 30 CGEDMO N#Cc1nc(NC[C@@H]2CCCC[N@H+]2C2CC2)ccc1Cl ZINC000277548419 379184043 /nfs/dbraw/zinc/18/40/43/379184043.db2.gz XLNXUECBBYQJGO-LBPRGKRZSA-N 1 1 290.798 3.035 20 30 CGEDMO N#CCSCCC[N@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000374814199 379478809 /nfs/dbraw/zinc/47/88/09/379478809.db2.gz LIUKEOJYBRQWJO-OAHLLOKOSA-N 1 1 296.386 3.343 20 30 CGEDMO N#CCSCCC[N@@H+]1CC[C@](F)(c2ccccc2F)C1 ZINC000374814199 379478817 /nfs/dbraw/zinc/47/88/17/379478817.db2.gz LIUKEOJYBRQWJO-OAHLLOKOSA-N 1 1 296.386 3.343 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000375011473 379484979 /nfs/dbraw/zinc/48/49/79/379484979.db2.gz FZHLKRVZJLOVHQ-JKSUJKDBSA-N 1 1 278.440 3.455 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)[C@H](C)c2cccc(C)c2)n1 ZINC000279753821 379507395 /nfs/dbraw/zinc/50/73/95/379507395.db2.gz QNAKKFVABAZBRU-MRXNPFEDSA-N 1 1 281.403 3.408 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)[C@H](C)c2cccc(C)c2)n1 ZINC000279753821 379507407 /nfs/dbraw/zinc/50/74/07/379507407.db2.gz QNAKKFVABAZBRU-MRXNPFEDSA-N 1 1 281.403 3.408 20 30 CGEDMO C=C(C)C[N@H+](Cc1cnn(CCOC)c1)Cc1ccccc1 ZINC000279756808 379507873 /nfs/dbraw/zinc/50/78/73/379507873.db2.gz ZIXLZUHVFGGOLT-UHFFFAOYSA-N 1 1 299.418 3.108 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccc(OCc2ccccn2)cc1 ZINC000266894367 190288333 /nfs/dbraw/zinc/28/83/33/190288333.db2.gz DSARIYHERAPMGV-UHFFFAOYSA-N 1 1 280.371 3.116 20 30 CGEDMO CCC[N@@H+](CC(=O)Nc1ccccc1C)[C@H](C)CCC#N ZINC000351621159 379732365 /nfs/dbraw/zinc/73/23/65/379732365.db2.gz SMGUBOCRAZHJNA-OAHLLOKOSA-N 1 1 287.407 3.338 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000351729247 379740912 /nfs/dbraw/zinc/74/09/12/379740912.db2.gz DXCQTNRAMBFNAA-OAHLLOKOSA-N 1 1 269.392 3.467 20 30 CGEDMO C=C(C)CC[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000351875050 379748421 /nfs/dbraw/zinc/74/84/21/379748421.db2.gz KQFAQEVMXOABTL-QGZVFWFLSA-N 1 1 259.393 3.325 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000352006609 379751271 /nfs/dbraw/zinc/75/12/71/379751271.db2.gz UUVCBHYMRIYEKK-MRXNPFEDSA-N 1 1 272.392 3.080 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000352384147 379789594 /nfs/dbraw/zinc/78/95/94/379789594.db2.gz RRFXXJUTCMWLEH-NVXWUHKLSA-N 1 1 273.376 3.005 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000352384147 379789604 /nfs/dbraw/zinc/78/96/04/379789604.db2.gz RRFXXJUTCMWLEH-NVXWUHKLSA-N 1 1 273.376 3.005 20 30 CGEDMO C=CCC[N@@H+](C)Cc1c(Cl)cccc1C(=O)OC ZINC000352394548 379793797 /nfs/dbraw/zinc/79/37/97/379793797.db2.gz PVSPOKCZXOOFLO-UHFFFAOYSA-N 1 1 267.756 3.135 20 30 CGEDMO C=CCC[N@H+](C)Cc1c(Cl)cccc1C(=O)OC ZINC000352394548 379793802 /nfs/dbraw/zinc/79/38/02/379793802.db2.gz PVSPOKCZXOOFLO-UHFFFAOYSA-N 1 1 267.756 3.135 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000352311755 379762176 /nfs/dbraw/zinc/76/21/76/379762176.db2.gz YVBJCJQJQYCPRA-JTDSTZFVSA-N 1 1 297.446 3.395 20 30 CGEDMO C=CCCCn1cc(C[NH2+][C@H]2CCc3ccccc32)nn1 ZINC000640936025 379876455 /nfs/dbraw/zinc/87/64/55/379876455.db2.gz NFAZGMYFHCBARJ-KRWDZBQOSA-N 1 1 282.391 3.021 20 30 CGEDMO CSC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000404018201 379977643 /nfs/dbraw/zinc/97/76/43/379977643.db2.gz SEMMCYKAWQZGIN-CYBMUJFWSA-N 1 1 278.396 3.272 20 30 CGEDMO C[C@H]1Cc2[nH+]cn(Cc3ccc(C#N)c(F)c3)c2C[C@@H]1C ZINC000404179304 379979539 /nfs/dbraw/zinc/97/95/39/379979539.db2.gz ZKBFWAHDRCGWII-RYUDHWBXSA-N 1 1 283.350 3.313 20 30 CGEDMO CCc1cnc(C[NH2+]Cc2ccc(C#N)c(F)c2)s1 ZINC000404684317 379982467 /nfs/dbraw/zinc/98/24/67/379982467.db2.gz NIKOVBXKZRMLAV-UHFFFAOYSA-N 1 1 275.352 3.006 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000409446520 380034989 /nfs/dbraw/zinc/03/49/89/380034989.db2.gz XGTFJLXCGWVKJT-HOTGVXAUSA-N 1 1 278.440 3.455 20 30 CGEDMO C=C(C)C[N@H+](CC[C@@H]1CCCO1)Cc1cnn(C(C)C)c1 ZINC000352904955 380029067 /nfs/dbraw/zinc/02/90/67/380029067.db2.gz WFWJZZFMMJFLSV-KRWDZBQOSA-N 1 1 291.439 3.411 20 30 CGEDMO CCC[N@H+](C)C[C@@H]1CCN(CCCCC(C)(C)C#N)C1 ZINC000409446526 380036639 /nfs/dbraw/zinc/03/66/39/380036639.db2.gz XZWPLSCVMKVOSP-INIZCTEOSA-N 1 1 279.472 3.370 20 30 CGEDMO CCC[N@@H+](C)C[C@@H]1CCN(CCCCC(C)(C)C#N)C1 ZINC000409446526 380036644 /nfs/dbraw/zinc/03/66/44/380036644.db2.gz XZWPLSCVMKVOSP-INIZCTEOSA-N 1 1 279.472 3.370 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H]1CCCOC1 ZINC000352956521 380055333 /nfs/dbraw/zinc/05/53/33/380055333.db2.gz VPINHUBKVMDZED-MRXNPFEDSA-N 1 1 291.439 3.269 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCc1cncs1 ZINC000411297336 380140166 /nfs/dbraw/zinc/14/01/66/380140166.db2.gz MDUHDVGBXQEISG-DLBZAZTESA-N 1 1 297.427 3.457 20 30 CGEDMO C[C@H]1C[C@H](Nc2ncccc2C#N)C[N@H+]1Cc1ccccc1 ZINC000268117716 190378155 /nfs/dbraw/zinc/37/81/55/190378155.db2.gz FDVFQMPTBKRCJH-YOEHRIQHSA-N 1 1 292.386 3.028 20 30 CGEDMO C[C@@H](CCC#N)[N@@H+]1CCc2c(Br)cccc2C1 ZINC000411206325 380134693 /nfs/dbraw/zinc/13/46/93/380134693.db2.gz CTCGCQYRGUKBFV-NSHDSACASA-N 1 1 293.208 3.499 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCc2c(Br)cccc2C1 ZINC000411206325 380134698 /nfs/dbraw/zinc/13/46/98/380134698.db2.gz CTCGCQYRGUKBFV-NSHDSACASA-N 1 1 293.208 3.499 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccnn1-c1ccc(F)cc1 ZINC000353362144 380205343 /nfs/dbraw/zinc/20/53/43/380205343.db2.gz DTFSMXSYLICEHD-UHFFFAOYSA-N 1 1 273.355 3.409 20 30 CGEDMO N#Cc1csc(C[N@H+]2CC[C@H]2Cc2ccccc2)c1 ZINC000353973026 380258771 /nfs/dbraw/zinc/25/87/71/380258771.db2.gz PDUDMOAKLLPGPZ-HNNXBMFYSA-N 1 1 268.385 3.437 20 30 CGEDMO CCCC[N@H+](C)C[C@@H](C)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353566492 380212861 /nfs/dbraw/zinc/21/28/61/380212861.db2.gz DLCQYULYZKVIIU-RDTXWAMCSA-N 1 1 285.435 3.256 20 30 CGEDMO CCCC[N@@H+](C)C[C@@H](C)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353566492 380212868 /nfs/dbraw/zinc/21/28/68/380212868.db2.gz DLCQYULYZKVIIU-RDTXWAMCSA-N 1 1 285.435 3.256 20 30 CGEDMO CCCOc1ccc(C[N@H+](C)CC(C)(C)C#N)cc1OC ZINC000354018127 380282676 /nfs/dbraw/zinc/28/26/76/380282676.db2.gz NZIUGNAPMRFGJP-UHFFFAOYSA-N 1 1 290.407 3.466 20 30 CGEDMO CCCOc1ccc(C[N@@H+](C)CC(C)(C)C#N)cc1OC ZINC000354018127 380282680 /nfs/dbraw/zinc/28/26/80/380282680.db2.gz NZIUGNAPMRFGJP-UHFFFAOYSA-N 1 1 290.407 3.466 20 30 CGEDMO COCC#CC[N@H+]1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000644785767 380509934 /nfs/dbraw/zinc/50/99/34/380509934.db2.gz WRMVEQNPBAPDDH-HNNXBMFYSA-N 1 1 295.835 3.156 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000645246761 380631366 /nfs/dbraw/zinc/63/13/66/380631366.db2.gz FOGSUUMWBYVNDV-CVEARBPZSA-N 1 1 253.430 3.462 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCOCC3(CCC3)C2)c1 ZINC000355516339 380695314 /nfs/dbraw/zinc/69/53/14/380695314.db2.gz RVXIGALPFDGPCH-UHFFFAOYSA-N 1 1 287.403 3.254 20 30 CGEDMO CC(C)C[C@]1(CO)CCC[N@H+]1Cc1cccc(C#N)c1F ZINC000355745826 380767200 /nfs/dbraw/zinc/76/72/00/380767200.db2.gz MRHICAGSEGGHAA-KRWDZBQOSA-N 1 1 290.382 3.070 20 30 CGEDMO C=CCOCCOc1cc(C)[nH+]c2cc(C)ccc21 ZINC000418948051 380751733 /nfs/dbraw/zinc/75/17/33/380751733.db2.gz CBAJLDVYMGDCIN-UHFFFAOYSA-N 1 1 257.333 3.433 20 30 CGEDMO N#Cc1ccc(C[N@@H+](CCOCC2CCC2)C2CC2)cc1 ZINC000419188908 380775522 /nfs/dbraw/zinc/77/55/22/380775522.db2.gz JQMFRLLAKSZFRN-UHFFFAOYSA-N 1 1 284.403 3.339 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](CC)OC ZINC000419194498 380775973 /nfs/dbraw/zinc/77/59/73/380775973.db2.gz WMOLBGOTLXNQPV-INIZCTEOSA-N 1 1 260.381 3.195 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000355790476 380779546 /nfs/dbraw/zinc/77/95/46/380779546.db2.gz ZFOPLSWPIBHJKN-LSDHHAIUSA-N 1 1 266.429 3.112 20 30 CGEDMO C=CCCC[C@@H](C)NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000355790469 380779851 /nfs/dbraw/zinc/77/98/51/380779851.db2.gz ZFOPLSWPIBHJKN-CABCVRRESA-N 1 1 266.429 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000420927106 380862624 /nfs/dbraw/zinc/86/26/24/380862624.db2.gz NXJTYWMJHKSPEW-STQMWFEESA-N 1 1 253.386 3.005 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)cc1F ZINC000421382306 380926566 /nfs/dbraw/zinc/92/65/66/380926566.db2.gz MNMIYFCTZSNDST-WBVHZDCISA-N 1 1 270.351 3.318 20 30 CGEDMO CC[C@H]1C[C@@H](C[N@@H+](C)Cc2cccc(C#N)c2)CCO1 ZINC000356915040 380937858 /nfs/dbraw/zinc/93/78/58/380937858.db2.gz IUFPFBYNFOGHID-IRXDYDNUSA-N 1 1 272.392 3.195 20 30 CGEDMO CC[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)C[C@H](CC)O1 ZINC000421395123 380943070 /nfs/dbraw/zinc/94/30/70/380943070.db2.gz VBHKKVWMISXUGA-BETUJISGSA-N 1 1 264.394 3.009 20 30 CGEDMO CC[C@@H]1C[N@H+](Cc2cc(C#N)cs2)C[C@H](CC)O1 ZINC000421395123 380943073 /nfs/dbraw/zinc/94/30/73/380943073.db2.gz VBHKKVWMISXUGA-BETUJISGSA-N 1 1 264.394 3.009 20 30 CGEDMO C[C@H]1CC[N@@H+](CCOc2ccccc2C#N)CC12CCC2 ZINC000357022480 380994868 /nfs/dbraw/zinc/99/48/68/380994868.db2.gz JXDMKVZXADOVRH-HNNXBMFYSA-N 1 1 284.403 3.449 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@@H](C)C1CCC1 ZINC000357044725 381008543 /nfs/dbraw/zinc/00/85/43/381008543.db2.gz SLCJKJQLRFFUPI-LBPRGKRZSA-N 1 1 258.365 3.187 20 30 CGEDMO CCCC[N@H+]1CCCC[C@@H]1CNc1cccnc1C#N ZINC000357222086 381072977 /nfs/dbraw/zinc/07/29/77/381072977.db2.gz PLRCEQUTKVHOOI-CQSZACIVSA-N 1 1 272.396 3.020 20 30 CGEDMO CO[C@H](C)C[N@@H+](CCCOc1cccc(C#N)c1)C(C)C ZINC000357303965 381099868 /nfs/dbraw/zinc/09/98/68/381099868.db2.gz LUMOBEGIHRYOAF-OAHLLOKOSA-N 1 1 290.407 3.072 20 30 CGEDMO COCc1cnc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)s1 ZINC000357411024 381149518 /nfs/dbraw/zinc/14/95/18/381149518.db2.gz IGLIYUXYKKOKRO-NSHDSACASA-N 1 1 287.388 3.012 20 30 CGEDMO C=CC[N@H+](C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000357527343 381196650 /nfs/dbraw/zinc/19/66/50/381196650.db2.gz JIKZRCKCNZFMNZ-HNNXBMFYSA-N 1 1 299.336 3.259 20 30 CGEDMO C=C[C@@H](C)[NH2+][C@@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000358306305 381303358 /nfs/dbraw/zinc/30/33/58/381303358.db2.gz ULDLUCURYKGQFE-OLZOCXBDSA-N 1 1 270.380 3.109 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1C[C@H](CC)O[C@@]2(CCOC2)C1 ZINC000361509774 381782094 /nfs/dbraw/zinc/78/20/94/381782094.db2.gz WUTDTGDUYBMVKV-JYJNAYRXSA-N 1 1 267.413 3.001 20 30 CGEDMO CC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)CC(C)(C)C ZINC000361528296 381787326 /nfs/dbraw/zinc/78/73/26/381787326.db2.gz NNHXXRZPRWGLKL-UHFFFAOYSA-N 1 1 298.390 3.476 20 30 CGEDMO N#Cc1cccc(C[N@@H+](CC2CC2)C2CCC2)c1F ZINC000361586649 381821260 /nfs/dbraw/zinc/82/12/60/381821260.db2.gz TVBQAQUWIFYTBO-UHFFFAOYSA-N 1 1 258.340 3.462 20 30 CGEDMO COCC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CC[C@@H](C)C1 ZINC000362166023 381894172 /nfs/dbraw/zinc/89/41/72/381894172.db2.gz WZINKWJPUAVANM-CJNGLKHVSA-N 1 1 290.382 3.334 20 30 CGEDMO CCCCOC1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000362455015 381999365 /nfs/dbraw/zinc/99/93/65/381999365.db2.gz RJQKIMNMDCUHLK-UHFFFAOYSA-N 1 1 290.382 3.478 20 30 CGEDMO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2ccc(F)cc2C#N)C1(C)C ZINC000362420180 381983071 /nfs/dbraw/zinc/98/30/71/381983071.db2.gz MJBYRNNQEWMZIP-DOTOQJQBSA-N 1 1 290.382 3.333 20 30 CGEDMO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2ccc(F)cc2C#N)C1(C)C ZINC000362420181 381983885 /nfs/dbraw/zinc/98/38/85/381983885.db2.gz MJBYRNNQEWMZIP-NVXWUHKLSA-N 1 1 290.382 3.333 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cn2c(n1)CCCC2 ZINC000365345666 382285498 /nfs/dbraw/zinc/28/54/98/382285498.db2.gz SZFPCYNRBLSJAI-UHFFFAOYSA-N 1 1 261.413 3.398 20 30 CGEDMO COC[C@H]1CCCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000368660285 382379413 /nfs/dbraw/zinc/37/94/13/382379413.db2.gz RIIAHKMQRUEDCO-INIZCTEOSA-N 1 1 291.822 3.440 20 30 CGEDMO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)CCCCC(C)(C)C#N ZINC000369000802 382385633 /nfs/dbraw/zinc/38/56/33/382385633.db2.gz JMIDZQYVYFEOOE-HNNXBMFYSA-N 1 1 288.439 3.449 20 30 CGEDMO COc1ccccc1[C@H]1CC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000356100301 533027073 /nfs/dbraw/zinc/02/70/73/533027073.db2.gz ANBWZESMMPQVDU-LBPRGKRZSA-N 1 1 299.399 3.013 20 30 CGEDMO COc1ccccc1[C@H]1CC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000356100301 533027077 /nfs/dbraw/zinc/02/70/77/533027077.db2.gz ANBWZESMMPQVDU-LBPRGKRZSA-N 1 1 299.399 3.013 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@H](c3ccncc3)C2)ccc1F ZINC000289338613 197301876 /nfs/dbraw/zinc/30/18/76/197301876.db2.gz LPNJQIUKIJQYFF-INIZCTEOSA-N 1 1 295.361 3.472 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](c3ccncc3)C2)c1 ZINC000289324203 197297599 /nfs/dbraw/zinc/29/75/99/197297599.db2.gz KHZZIDIWONSCCW-INIZCTEOSA-N 1 1 295.361 3.472 20 30 CGEDMO COC[C@H]1CCCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439455623 533125594 /nfs/dbraw/zinc/12/55/94/533125594.db2.gz VHGITEIHYLEAKI-AWEZNQCLSA-N 1 1 292.810 3.460 20 30 CGEDMO C[C@@H]1[C@H](Nc2ccc(C#N)cn2)CC[N@H+]1Cc1ccccc1 ZINC000288367626 197060135 /nfs/dbraw/zinc/06/01/35/197060135.db2.gz YGAYZGQSRHLETJ-RHSMWYFYSA-N 1 1 292.386 3.028 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCCCC[C@@H]2CCO)c1 ZINC000342820348 542498529 /nfs/dbraw/zinc/49/85/29/542498529.db2.gz GYKWLUIZORDSPU-QGZVFWFLSA-N 1 1 289.419 3.378 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC000358033994 542576473 /nfs/dbraw/zinc/57/64/73/542576473.db2.gz LSPQVCIYKNXOAI-GOSISDBHSA-N 1 1 298.430 3.414 20 30 CGEDMO C[C@@H](NCC[N@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1F ZINC000358571171 533395585 /nfs/dbraw/zinc/39/55/85/533395585.db2.gz OMVWELWHOIWIEW-ZIAGYGMSSA-N 1 1 289.398 3.222 20 30 CGEDMO C[C@@H]([NH2+]CCN1CCCC[C@H]1C)c1ccc(C#N)cc1F ZINC000358571171 533395586 /nfs/dbraw/zinc/39/55/86/533395586.db2.gz OMVWELWHOIWIEW-ZIAGYGMSSA-N 1 1 289.398 3.222 20 30 CGEDMO CC[C@@]1(CO)CCC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000190039969 130053362 /nfs/dbraw/zinc/05/33/62/130053362.db2.gz YXUPQMNBNQFUEL-WMLDXEAASA-N 1 1 272.392 3.104 20 30 CGEDMO COc1ccc(C[N@@H+](Cc2cc(C#N)n(C)c2)C2CC2)cc1 ZINC000191190193 130198394 /nfs/dbraw/zinc/19/83/94/130198394.db2.gz DNBJORDCIMZRPD-UHFFFAOYSA-N 1 1 295.386 3.070 20 30 CGEDMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191198175 130200335 /nfs/dbraw/zinc/20/03/35/130200335.db2.gz VVTXQEIAECFTLZ-LBPRGKRZSA-N 1 1 271.339 3.229 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@H]2c2cccc(F)c2)cc1C#N ZINC000191230518 130205367 /nfs/dbraw/zinc/20/53/67/130205367.db2.gz JGDJMDKUDZVQAK-KRWDZBQOSA-N 1 1 283.350 3.373 20 30 CGEDMO C[C@H](c1cc(F)ccc1F)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191227352 130205871 /nfs/dbraw/zinc/20/58/71/130205871.db2.gz YLLMIQWSCOEFRW-LLVKDONJSA-N 1 1 289.329 3.368 20 30 CGEDMO C[C@H](c1cc(F)ccc1F)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191227352 130205874 /nfs/dbraw/zinc/20/58/74/130205874.db2.gz YLLMIQWSCOEFRW-LLVKDONJSA-N 1 1 289.329 3.368 20 30 CGEDMO CC[C@@H](C)[C@@H](C)[N@@H+](Cc1cc(C#N)n(C)c1)C1CC1 ZINC000191329486 130221870 /nfs/dbraw/zinc/22/18/70/130221870.db2.gz RGVQZKRBTTXBKM-CHWSQXEVSA-N 1 1 259.397 3.296 20 30 CGEDMO Cn1cc(C[N@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)cc1C#N ZINC000191369390 130227847 /nfs/dbraw/zinc/22/78/47/130227847.db2.gz JRNNYGLAMBBWPO-HNNXBMFYSA-N 1 1 297.377 3.100 20 30 CGEDMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191375583 130229428 /nfs/dbraw/zinc/22/94/28/130229428.db2.gz VAOMMEYBKMCGOM-YOEHRIQHSA-N 1 1 279.387 3.275 20 30 CGEDMO COCC[N@@H+](Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000048811724 392017530 /nfs/dbraw/zinc/01/75/30/392017530.db2.gz VYTWZHWIVQYFPY-UHFFFAOYSA-N 1 1 280.371 3.207 20 30 CGEDMO Cc1cccc2nc(C[N@@H+](C)Cc3cccc(C#N)c3)cn21 ZINC000051400926 392068868 /nfs/dbraw/zinc/06/88/68/392068868.db2.gz IQFNCJSJDIBLGZ-UHFFFAOYSA-N 1 1 290.370 3.146 20 30 CGEDMO Cc1cccc2nc(C[N@H+](C)Cc3cccc(C#N)c3)cn21 ZINC000051400926 392068872 /nfs/dbraw/zinc/06/88/72/392068872.db2.gz IQFNCJSJDIBLGZ-UHFFFAOYSA-N 1 1 290.370 3.146 20 30 CGEDMO CC(C)CC[N@@H+](CCOc1ccccc1C#N)C1CC1 ZINC000060467539 392122422 /nfs/dbraw/zinc/12/24/22/392122422.db2.gz QEOWTDXIMCTDTH-UHFFFAOYSA-N 1 1 272.392 3.448 20 30 CGEDMO COc1ccccc1/C=C/C[N@H+](CCC#N)CC1CC1 ZINC000093091436 392234883 /nfs/dbraw/zinc/23/48/83/392234883.db2.gz UVVFWGIAPOXUSM-QPJJXVBHSA-N 1 1 270.376 3.334 20 30 CGEDMO COc1ccccc1/C=C/C[N@@H+](CCC#N)CC1CC1 ZINC000093091436 392234889 /nfs/dbraw/zinc/23/48/89/392234889.db2.gz UVVFWGIAPOXUSM-QPJJXVBHSA-N 1 1 270.376 3.334 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)CC[C@@H](C)O)cc1Cl ZINC000093481113 392237177 /nfs/dbraw/zinc/23/71/77/392237177.db2.gz OUCNWHINBSULIA-GFCCVEGCSA-N 1 1 283.799 3.108 20 30 CGEDMO C=CC[N@H+](CCc1ccnn1C)CC1CCCCC1 ZINC000284253747 392310408 /nfs/dbraw/zinc/31/04/08/392310408.db2.gz CVCFJHZZTZLEGH-UHFFFAOYSA-N 1 1 261.413 3.031 20 30 CGEDMO C=C1CC[NH+](Cc2cnc(-c3ccccc3OC)nc2)CC1 ZINC000430245999 542652582 /nfs/dbraw/zinc/65/25/82/542652582.db2.gz QPYSHMSKSHGBSQ-UHFFFAOYSA-N 1 1 295.386 3.304 20 30 CGEDMO COCC[N@H+](Cc1cc(C#N)cs1)C[C@H]1CC=CCC1 ZINC000361674967 392293142 /nfs/dbraw/zinc/29/31/42/392293142.db2.gz IYCOLMKELGJUID-AWEZNQCLSA-N 1 1 290.432 3.424 20 30 CGEDMO CCC(CC)[N@@H+](CC)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000289450946 392422310 /nfs/dbraw/zinc/42/23/10/392422310.db2.gz PBLRXOXNLNYTGK-UHFFFAOYSA-N 1 1 291.395 3.217 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134805164 392468254 /nfs/dbraw/zinc/46/82/54/392468254.db2.gz DPCXEQTZGMNHTE-GJZGRUSLSA-N 1 1 283.774 3.466 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCOc2c(F)cccc2C1 ZINC000366108282 392449772 /nfs/dbraw/zinc/44/97/72/392449772.db2.gz LBZHNCGOOOVONT-UHFFFAOYSA-N 1 1 276.355 3.350 20 30 CGEDMO Clc1ccc(C#CC[N@H+]2CC[C@]3(C2)CCCOC3)cc1 ZINC000367052406 392461737 /nfs/dbraw/zinc/46/17/37/392461737.db2.gz AWZWHYNCGWOWAI-KRWDZBQOSA-N 1 1 289.806 3.194 20 30 CGEDMO C[C@@H]1C[N@H+](CCCCC#N)C[C@H](c2ccsc2)O1 ZINC000120996590 392404918 /nfs/dbraw/zinc/40/49/18/392404918.db2.gz IUBDGVPXZNGCSN-TZMCWYRMSA-N 1 1 264.394 3.204 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCCC#N)C[C@H](c2ccsc2)O1 ZINC000120996590 392404921 /nfs/dbraw/zinc/40/49/21/392404921.db2.gz IUBDGVPXZNGCSN-TZMCWYRMSA-N 1 1 264.394 3.204 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000121147131 392409504 /nfs/dbraw/zinc/40/95/04/392409504.db2.gz HJJFCGLVQDRZNF-CABCVRRESA-N 1 1 266.429 3.064 20 30 CGEDMO CCCCCCCC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000155711962 392543226 /nfs/dbraw/zinc/54/32/26/392543226.db2.gz YOOULEBNSCQYBJ-HZPDHXFCSA-N 1 1 280.456 3.290 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1cccnc1 ZINC000162615751 392598255 /nfs/dbraw/zinc/59/82/55/392598255.db2.gz KAZIBVFVMPOMIA-LLVKDONJSA-N 1 1 271.751 3.457 20 30 CGEDMO CC#CCC[N@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000156003863 392545339 /nfs/dbraw/zinc/54/53/39/392545339.db2.gz NODCTEGTFXDGDE-KRWDZBQOSA-N 1 1 283.371 3.229 20 30 CGEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)NC1CCC(C(N)=O)CC1 ZINC000329468219 392682517 /nfs/dbraw/zinc/68/25/17/392682517.db2.gz XEAIMWYFLQQVRS-JXQTWKCFSA-N 1 1 295.427 3.301 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000302846604 392621786 /nfs/dbraw/zinc/62/17/86/392621786.db2.gz JLNSDDONKFJPHV-HOTGVXAUSA-N 1 1 278.440 3.066 20 30 CGEDMO CO[C@@H](C)c1nc(CO[NH+]=C(N)C2CCCCC2)cs1 ZINC000177565528 392662510 /nfs/dbraw/zinc/66/25/10/392662510.db2.gz WDYDFRNZXCGFCS-JTQLQIEISA-N 1 1 297.424 3.220 20 30 CGEDMO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)s1 ZINC000192184438 392840856 /nfs/dbraw/zinc/84/08/56/392840856.db2.gz HQKFUTWGWKFYDH-SNVBAGLBSA-N 1 1 275.352 3.313 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cn(C)nc1-c1ccc(C)o1 ZINC000647998956 392862042 /nfs/dbraw/zinc/86/20/42/392862042.db2.gz RZBYQUHXNFZTHE-UHFFFAOYSA-N 1 1 273.380 3.387 20 30 CGEDMO C=CC[N@@H+](C)CCc1ccc(Br)cc1 ZINC000520746523 392925691 /nfs/dbraw/zinc/92/56/91/392925691.db2.gz BMRDXPXJRJFNGL-UHFFFAOYSA-N 1 1 254.171 3.109 20 30 CGEDMO C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000459295747 392939971 /nfs/dbraw/zinc/93/99/71/392939971.db2.gz DGMPMPYGERQQQW-UHFFFAOYSA-N 1 1 273.336 3.231 20 30 CGEDMO C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000459295747 392939976 /nfs/dbraw/zinc/93/99/76/392939976.db2.gz DGMPMPYGERQQQW-UHFFFAOYSA-N 1 1 273.336 3.231 20 30 CGEDMO C[C@H]1CCC[C@@H]([N@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459299691 392940105 /nfs/dbraw/zinc/94/01/05/392940105.db2.gz LEOUCLKXQUKOCK-GXTWGEPZSA-N 1 1 287.363 3.477 20 30 CGEDMO C[C@H]1CCC[C@@H]([N@@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459299691 392940110 /nfs/dbraw/zinc/94/01/10/392940110.db2.gz LEOUCLKXQUKOCK-GXTWGEPZSA-N 1 1 287.363 3.477 20 30 CGEDMO N#CCCOCC[N@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000339045110 392942940 /nfs/dbraw/zinc/94/29/40/392942940.db2.gz QVBGDHRRHUWZNL-INIZCTEOSA-N 1 1 294.345 3.422 20 30 CGEDMO N#CCCOCC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000339045110 392942946 /nfs/dbraw/zinc/94/29/46/392942946.db2.gz QVBGDHRRHUWZNL-INIZCTEOSA-N 1 1 294.345 3.422 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000459416199 392943500 /nfs/dbraw/zinc/94/35/00/392943500.db2.gz UQHGZMJPSSAYGO-INWMFGNUSA-N 1 1 299.374 3.477 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000411688033 392984053 /nfs/dbraw/zinc/98/40/53/392984053.db2.gz HPQOXFNUZZUBON-CABCVRRESA-N 1 1 286.423 3.091 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000411641782 392984815 /nfs/dbraw/zinc/98/48/15/392984815.db2.gz MHEGLECWAVFRJR-AWEZNQCLSA-N 1 1 291.395 3.096 20 30 CGEDMO Cc1ccc(C[N@@H+](CCO)CCC2(C#N)CCCCC2)o1 ZINC000411658772 392984969 /nfs/dbraw/zinc/98/49/69/392984969.db2.gz DMIPUNMXTKBRIS-UHFFFAOYSA-N 1 1 290.407 3.247 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000411686238 392985010 /nfs/dbraw/zinc/98/50/10/392985010.db2.gz XCRQULHVXQFATP-BBRMVZONSA-N 1 1 260.356 3.481 20 30 CGEDMO CCN1C[C@@H](C)[NH+](CCC2(C#N)CCCCC2)[C@H](C)C1 ZINC000411723052 392986405 /nfs/dbraw/zinc/98/64/05/392986405.db2.gz RXDACKQUZOJPQX-HZPDHXFCSA-N 1 1 277.456 3.265 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411879679 392990551 /nfs/dbraw/zinc/99/05/51/392990551.db2.gz URJNZFGUNHITTK-GOSISDBHSA-N 1 1 298.430 3.489 20 30 CGEDMO COc1cccc(C[C@@H]2CCC[N@H+]2Cc2ccc(C#N)o2)c1 ZINC000534344440 392998373 /nfs/dbraw/zinc/99/83/73/392998373.db2.gz KXTOFUXVFURVOB-HNNXBMFYSA-N 1 1 296.370 3.367 20 30 CGEDMO CC1(C)CC[N@@H+](CCOc2ccc(C#N)cc2)CCS1 ZINC000228089496 393018784 /nfs/dbraw/zinc/01/87/84/393018784.db2.gz WPVJBKREEPHQHX-UHFFFAOYSA-N 1 1 290.432 3.155 20 30 CGEDMO C[C@H](N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(C#N)cc1 ZINC000245833244 393047307 /nfs/dbraw/zinc/04/73/07/393047307.db2.gz CCDWPUCWVOBBSS-RRQGHBQHSA-N 1 1 271.408 3.082 20 30 CGEDMO CC(C)(C#N)c1ccc(NC(=O)C(C)(C)c2cnc[nH]2)cc1 ZINC000346131680 393076358 /nfs/dbraw/zinc/07/63/58/393076358.db2.gz BFBYSGVKEWUMSZ-UHFFFAOYSA-N 1 1 296.374 3.127 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cccc(O)c1 ZINC000348638104 393127238 /nfs/dbraw/zinc/12/72/38/393127238.db2.gz BATCPIRDFUVATO-UHFFFAOYSA-N 1 1 287.359 3.056 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cccc(O)c1 ZINC000348638104 393127242 /nfs/dbraw/zinc/12/72/42/393127242.db2.gz BATCPIRDFUVATO-UHFFFAOYSA-N 1 1 287.359 3.056 20 30 CGEDMO CC(C)CCn1cccc1C[NH+]1CCC(F)(C#N)CC1 ZINC000348707051 393129665 /nfs/dbraw/zinc/12/96/65/393129665.db2.gz IUNNLXAPAFFVBS-UHFFFAOYSA-N 1 1 277.387 3.362 20 30 CGEDMO CC[N@@H+](CC(=O)N1CCCCCC1)CC(C)(C)CCC#N ZINC000348831213 393132612 /nfs/dbraw/zinc/13/26/12/393132612.db2.gz FPIVTMFJTMWRSD-UHFFFAOYSA-N 1 1 293.455 3.041 20 30 CGEDMO CCC(CC)[N@@H+](CCOC)Cc1ccc(OCC#N)cc1 ZINC000264582257 393160723 /nfs/dbraw/zinc/16/07/23/393160723.db2.gz VUQXKCCOJBTFJW-UHFFFAOYSA-N 1 1 290.407 3.226 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000351632180 393193092 /nfs/dbraw/zinc/19/30/92/393193092.db2.gz IREUERPHPWYEQJ-NWDGAFQWSA-N 1 1 269.335 3.285 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)[C@@H](C)c1c(F)cccc1F ZINC000351632180 393193097 /nfs/dbraw/zinc/19/30/97/393193097.db2.gz IREUERPHPWYEQJ-NWDGAFQWSA-N 1 1 269.335 3.285 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](CC=C)Cc1ccccc1 ZINC000355268671 393282928 /nfs/dbraw/zinc/28/29/28/393282928.db2.gz NHEIOXGKEAVPSD-KRWDZBQOSA-N 1 1 298.430 3.264 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](CC=C)Cc1ccccc1 ZINC000355268671 393282933 /nfs/dbraw/zinc/28/29/33/393282933.db2.gz NHEIOXGKEAVPSD-KRWDZBQOSA-N 1 1 298.430 3.264 20 30 CGEDMO C=CCCCC[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000649352476 393404120 /nfs/dbraw/zinc/40/41/20/393404120.db2.gz INBDJLQCOFOCQB-ZDUSSCGKSA-N 1 1 251.395 3.478 20 30 CGEDMO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000417385676 393349159 /nfs/dbraw/zinc/34/91/59/393349159.db2.gz MEYRCDVRWLKVKH-TWKYDXJASA-N 1 1 297.446 3.254 20 30 CGEDMO CCS[C@@H]1CCCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000356198906 393379290 /nfs/dbraw/zinc/37/92/90/393379290.db2.gz XDYRNDOJSFBKIB-GFCCVEGCSA-N 1 1 281.450 3.122 20 30 CGEDMO CCS[C@@H]1CCCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000356198906 393379299 /nfs/dbraw/zinc/37/92/99/393379299.db2.gz XDYRNDOJSFBKIB-GFCCVEGCSA-N 1 1 281.450 3.122 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(Cl)cc1)[C@@H](CO)c1ccccc1 ZINC000427602564 393457566 /nfs/dbraw/zinc/45/75/66/393457566.db2.gz QNGNKJALRYCXCG-SFHVURJKSA-N 1 1 299.801 3.357 20 30 CGEDMO C[C@H]1CCSCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000428952816 393466071 /nfs/dbraw/zinc/46/60/71/393466071.db2.gz DKRFAMDOZSUGJK-NSHDSACASA-N 1 1 264.369 3.025 20 30 CGEDMO C[C@H]1CCSCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428952816 393466084 /nfs/dbraw/zinc/46/60/84/393466084.db2.gz DKRFAMDOZSUGJK-NSHDSACASA-N 1 1 264.369 3.025 20 30 CGEDMO CCC1CCC([N@@H+](CCO)Cc2cc(C#N)cs2)CC1 ZINC000488570616 393541013 /nfs/dbraw/zinc/54/10/13/393541013.db2.gz DSERCGVIKMGKPN-UHFFFAOYSA-N 1 1 292.448 3.383 20 30 CGEDMO C=CCC1(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CCC1 ZINC000359317698 393544206 /nfs/dbraw/zinc/54/42/06/393544206.db2.gz XWUQKMWXMKCNND-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO Cc1cc(C[N@@H+](CCO)Cc2cccc(F)c2)ccc1C#N ZINC000489019775 393571762 /nfs/dbraw/zinc/57/17/62/393571762.db2.gz ISKCTCWPCYJUKJ-UHFFFAOYSA-N 1 1 298.361 3.000 20 30 CGEDMO Cc1[nH+]ccn1CCCOc1c(C)cc(Cl)cc1C#N ZINC000421185309 393594229 /nfs/dbraw/zinc/59/42/29/393594229.db2.gz BXAODQVLJXIDTQ-UHFFFAOYSA-N 1 1 289.766 3.494 20 30 CGEDMO C[N@@H+](Cc1cn2ccccc2c1C#N)[C@H]1CC1(C)C ZINC000489454749 393598647 /nfs/dbraw/zinc/59/86/47/393598647.db2.gz LRABDZWOTCYIDQ-HNNXBMFYSA-N 1 1 253.349 3.041 20 30 CGEDMO C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C1(C)CCCC1 ZINC000489891177 393620621 /nfs/dbraw/zinc/62/06/21/393620621.db2.gz VFNUGLUXKKDVSH-UHFFFAOYSA-N 1 1 296.374 3.373 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC=C(COC)CC2)cc1 ZINC000361141453 393682958 /nfs/dbraw/zinc/68/29/58/393682958.db2.gz OBTGZOKRUVGJOC-UHFFFAOYSA-N 1 1 273.376 3.030 20 30 CGEDMO C[C@H]([NH2+][C@H](CN)C1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000423265279 393656924 /nfs/dbraw/zinc/65/69/24/393656924.db2.gz QRVLVVITVQFYIR-YVEFUNNKSA-N 1 1 289.398 3.256 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000361057394 393658914 /nfs/dbraw/zinc/65/89/14/393658914.db2.gz MDTDTYZQOFHUKD-GJZGRUSLSA-N 1 1 286.419 3.376 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1Cc2ccccc2[C@@H]1C ZINC000361057394 393658921 /nfs/dbraw/zinc/65/89/21/393658921.db2.gz MDTDTYZQOFHUKD-GJZGRUSLSA-N 1 1 286.419 3.376 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCOC(C)(C)C ZINC000442673608 393738339 /nfs/dbraw/zinc/73/83/39/393738339.db2.gz SXOVCKMKSMILOH-CYBMUJFWSA-N 1 1 260.381 3.366 20 30 CGEDMO CCSc1cccc(C[NH2+]Cc2nc(C#N)cs2)c1 ZINC000492311856 393718062 /nfs/dbraw/zinc/71/80/62/393718062.db2.gz KANOZKBFNMGCJS-UHFFFAOYSA-N 1 1 289.429 3.417 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451699372 394047099 /nfs/dbraw/zinc/04/70/99/394047099.db2.gz LBYDPHLSMUPBKY-PMPSAXMXSA-N 1 1 251.414 3.216 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000668078586 542966307 /nfs/dbraw/zinc/96/63/07/542966307.db2.gz PIWKGTNGZMNPDY-SJLPKXTDSA-N 1 1 287.403 3.395 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000668493985 543020830 /nfs/dbraw/zinc/02/08/30/543020830.db2.gz SZFNZNVQCNRPBN-MRXNPFEDSA-N 1 1 285.435 3.470 20 30 CGEDMO COCC#CC[N@@H+](C)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000672565826 543216567 /nfs/dbraw/zinc/21/65/67/543216567.db2.gz PVKNRHZGLMLKAK-ZDUSSCGKSA-N 1 1 299.336 3.218 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000117872151 397655682 /nfs/dbraw/zinc/65/56/82/397655682.db2.gz OKXNOIJQDGLFMI-OAHLLOKOSA-N 1 1 288.439 3.150 20 30 CGEDMO C=CCCc1ccccc1NCc1c[nH+]c(N(C)C)n1C ZINC000419729593 397700445 /nfs/dbraw/zinc/70/04/45/397700445.db2.gz OWPHHOVWNVYORF-UHFFFAOYSA-N 1 1 284.407 3.217 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000677047444 543427938 /nfs/dbraw/zinc/42/79/38/543427938.db2.gz AXWNLSOEIGHLMK-ZDUSSCGKSA-N 1 1 274.191 3.362 20 30 CGEDMO COCC#CC[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000677133405 543435413 /nfs/dbraw/zinc/43/54/13/543435413.db2.gz UMNQUEILBANGEU-UHFFFAOYSA-N 1 1 272.175 3.075 20 30 CGEDMO COCC#CC[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000677133405 543435415 /nfs/dbraw/zinc/43/54/15/543435415.db2.gz UMNQUEILBANGEU-UHFFFAOYSA-N 1 1 272.175 3.075 20 30 CGEDMO COCC#CC[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000677133169 543435498 /nfs/dbraw/zinc/43/54/98/543435498.db2.gz KUFRIQBQKLWWEI-HXUWFJFHSA-N 1 1 291.394 3.284 20 30 CGEDMO COCC#CC[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000677133469 543435795 /nfs/dbraw/zinc/43/57/95/543435795.db2.gz XMZYUNLVSBRYGG-UHFFFAOYSA-N 1 1 297.320 3.320 20 30 CGEDMO CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC#CCOC ZINC000677818484 543467139 /nfs/dbraw/zinc/46/71/39/543467139.db2.gz PPCQNKOGTBMRFS-QZTJIDSGSA-N 1 1 271.404 3.294 20 30 CGEDMO COCC#CC[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000677819338 543467871 /nfs/dbraw/zinc/46/78/71/543467871.db2.gz YNIYRGSURWLYKE-UHFFFAOYSA-N 1 1 275.779 3.079 20 30 CGEDMO COCC#CC[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000677819338 543467873 /nfs/dbraw/zinc/46/78/73/543467873.db2.gz YNIYRGSURWLYKE-UHFFFAOYSA-N 1 1 275.779 3.079 20 30 CGEDMO COCC#CC[N@@H+](C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000677820533 543468235 /nfs/dbraw/zinc/46/82/35/543468235.db2.gz QKFZISSTMPLPET-KGLIPLIRSA-N 1 1 279.811 3.414 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000678049835 543479077 /nfs/dbraw/zinc/47/90/77/543479077.db2.gz OZVJCOAMHBEBJL-INIZCTEOSA-N 1 1 277.795 3.366 20 30 CGEDMO CCC(C)(C)[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000069433518 165050562 /nfs/dbraw/zinc/05/05/62/165050562.db2.gz BCJVOOAPLJFSSC-UHFFFAOYSA-N 1 1 273.380 3.007 20 30 CGEDMO CN(C)c1cccc(C[N@@H+](C)Cc2ccc(F)c(C#N)c2)c1 ZINC000089922901 165220867 /nfs/dbraw/zinc/22/08/67/165220867.db2.gz ZUOWLIXTWOSPNA-UHFFFAOYSA-N 1 1 297.377 3.395 20 30 CGEDMO C[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000091988765 165277775 /nfs/dbraw/zinc/27/77/75/165277775.db2.gz XMZFFDQLKFEHNE-GFCCVEGCSA-N 1 1 269.323 3.285 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000187077202 287142429 /nfs/dbraw/zinc/14/24/29/287142429.db2.gz NLHGVHQSJBSUBY-STQMWFEESA-N 1 1 258.365 3.119 20 30 CGEDMO CC(C)C[C@H](CN[C@H](C)c1cccc(C#N)c1)[NH+](C)C ZINC000037240979 173057472 /nfs/dbraw/zinc/05/74/72/173057472.db2.gz OFMRJSOXUVKTDU-RHSMWYFYSA-N 1 1 273.424 3.185 20 30 CGEDMO C[C@H](CN[C@@H](C)c1ccc(C#N)cc1)C[NH+]1CCCCC1 ZINC000038041725 174043309 /nfs/dbraw/zinc/04/33/09/174043309.db2.gz GCBCZNYVSYKEIN-CVEARBPZSA-N 1 1 285.435 3.331 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2ccccc2F)c(F)c1 ZINC000020053094 416444739 /nfs/dbraw/zinc/44/47/39/416444739.db2.gz IJIDVCNXGKLVGD-UHFFFAOYSA-N 1 1 258.271 3.126 20 30 CGEDMO CC(C)C[N@@H+]1CCCC[C@H]1CNCc1ccc(C#N)s1 ZINC000130874511 287365477 /nfs/dbraw/zinc/36/54/77/287365477.db2.gz UWCHSTBMBITXTE-AWEZNQCLSA-N 1 1 291.464 3.220 20 30 CGEDMO CC(C)C[N@H+]1CCCC[C@H]1CNCc1ccc(C#N)s1 ZINC000130874511 287365481 /nfs/dbraw/zinc/36/54/81/287365481.db2.gz UWCHSTBMBITXTE-AWEZNQCLSA-N 1 1 291.464 3.220 20 30 CGEDMO CC[N@@H+](CCOCC(F)(F)C(F)F)CCC(F)(F)F ZINC000682524218 543851120 /nfs/dbraw/zinc/85/11/20/543851120.db2.gz DYSHHRHJUBHCLK-UHFFFAOYSA-N 1 1 299.230 3.178 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2nc(CC)no2)CCCC1(C)C ZINC000683528262 543921334 /nfs/dbraw/zinc/92/13/34/543921334.db2.gz KOYNABVHCXAMLL-LBPRGKRZSA-N 1 1 263.385 3.199 20 30 CGEDMO C=C[C@](C)(CC)c1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1 ZINC000685326849 544062675 /nfs/dbraw/zinc/06/26/75/544062675.db2.gz JSKMIGSJKHQBJA-XQERAMJGSA-N 1 1 275.396 3.264 20 30 CGEDMO Cc1ccc([C@@H](C)[NH2+]Cc2nc(C#N)cs2)cc1C ZINC000352834940 227310074 /nfs/dbraw/zinc/31/00/74/227310074.db2.gz MLZSKFMLBPZZPH-GFCCVEGCSA-N 1 1 271.389 3.482 20 30 CGEDMO C=CCCn1cc(C[N@H+]2CCc3ccccc3[C@H](C)C2)nn1 ZINC000653779387 419085425 /nfs/dbraw/zinc/08/54/25/419085425.db2.gz ZGUDQTZZGXCMBU-OAHLLOKOSA-N 1 1 296.418 3.016 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000665183471 419074038 /nfs/dbraw/zinc/07/40/38/419074038.db2.gz IVEAQLWBOBWBAK-DLBZAZTESA-N 1 1 271.404 3.193 20 30 CGEDMO C=CC[N@H+](Cc1cn(-c2ccccc2F)nc1C)C1CC1 ZINC000656256547 419159628 /nfs/dbraw/zinc/15/96/28/419159628.db2.gz UUZJKHHHIDYNFZ-UHFFFAOYSA-N 1 1 285.366 3.470 20 30 CGEDMO OCC1([N@@H+](CC#Cc2ccccc2Cl)C2CC2)CCC1 ZINC000660772258 419193171 /nfs/dbraw/zinc/19/31/71/419193171.db2.gz HHKVPQYNHRHFRB-UHFFFAOYSA-N 1 1 289.806 3.071 20 30 CGEDMO C=CC[N@H+](Cc1sccc1Cl)[C@H](C)COC ZINC000661238967 419243006 /nfs/dbraw/zinc/24/30/06/419243006.db2.gz AXAZUEQERZHMPS-SNVBAGLBSA-N 1 1 259.802 3.424 20 30 CGEDMO C=CC[N@@H+](Cc1sccc1Cl)[C@H](C)COC ZINC000661238967 419243009 /nfs/dbraw/zinc/24/30/09/419243009.db2.gz AXAZUEQERZHMPS-SNVBAGLBSA-N 1 1 259.802 3.424 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC(F)F)cc1)[C@@H](C)COC ZINC000661244030 419243983 /nfs/dbraw/zinc/24/39/83/419243983.db2.gz PVJQAZGGAREALH-LBPRGKRZSA-N 1 1 285.334 3.311 20 30 CGEDMO C=CC[N@@H+](C[C@@H]1CCC2(CCCC2)O1)[C@H](C)COC ZINC000661241436 419244297 /nfs/dbraw/zinc/24/42/97/419244297.db2.gz YFGODUQAFALRBA-CABCVRRESA-N 1 1 267.413 3.001 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](C)c2nnnn2-c2ccccc2)C1 ZINC000661379157 419255602 /nfs/dbraw/zinc/25/56/02/419255602.db2.gz VFZABCHZLSIIBT-LSDHHAIUSA-N 1 1 297.406 3.011 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](CCc2csc(C)n2)C1 ZINC000661381689 419256198 /nfs/dbraw/zinc/25/61/98/419256198.db2.gz ODVWHBAUCMEHRD-ZDUSSCGKSA-N 1 1 250.411 3.282 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@@H]2c3cc(C)ccc3C[C@H]2C)nn1 ZINC000657429306 419277024 /nfs/dbraw/zinc/27/70/24/419277024.db2.gz GTXPRXJEQXHFBW-KDOFPFPSSA-N 1 1 296.418 3.186 20 30 CGEDMO C=CC[N@@H+](Cc1nnc(-c2ccco2)o1)C(C)(C)C ZINC000661755519 419294984 /nfs/dbraw/zinc/29/49/84/419294984.db2.gz NRHGUURBZFSAEP-UHFFFAOYSA-N 1 1 261.325 3.116 20 30 CGEDMO C=CCOc1ccc(CN[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000657563271 419306355 /nfs/dbraw/zinc/30/63/55/419306355.db2.gz RBUWQKZRKBMLGM-INIZCTEOSA-N 1 1 288.435 3.214 20 30 CGEDMO C=CCOc1ccc(CN[C@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000657563271 419306356 /nfs/dbraw/zinc/30/63/56/419306356.db2.gz RBUWQKZRKBMLGM-INIZCTEOSA-N 1 1 288.435 3.214 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccc(CC)cc1 ZINC000662086806 419334089 /nfs/dbraw/zinc/33/40/89/419334089.db2.gz YTYQVURYFZNFBP-CALCHBBNSA-N 1 1 284.403 3.371 20 30 CGEDMO COCC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000352018478 228174435 /nfs/dbraw/zinc/17/44/35/228174435.db2.gz AIKAJUFSSOVAQH-UHFFFAOYSA-N 1 1 297.320 3.168 20 30 CGEDMO C=C(C)[C@@H]1OCC[C@H]1CNc1[nH+]ccc2c(N)cccc21 ZINC000663870380 419747140 /nfs/dbraw/zinc/74/71/40/419747140.db2.gz UBRFHGZCZSXUPY-LRDDRELGSA-N 1 1 283.375 3.210 20 30 CGEDMO CC(C)CC[N@@H+](Cc1cnc2ccc(C#N)cn12)C1CC1 ZINC000180022888 260088168 /nfs/dbraw/zinc/08/81/68/260088168.db2.gz PDROJXGBONXKMR-UHFFFAOYSA-N 1 1 282.391 3.216 20 30 CGEDMO C[N@@H+](CCCCC#N)Cc1ccccc1N1CCCC1 ZINC000057628034 260225530 /nfs/dbraw/zinc/22/55/30/260225530.db2.gz FBYYQIXPODUZNH-UHFFFAOYSA-N 1 1 271.408 3.412 20 30 CGEDMO C[N@H+](CCCC#N)Cc1cc(Br)ccc1F ZINC000063742267 260241120 /nfs/dbraw/zinc/24/11/20/260241120.db2.gz NXCPCZHPQSDRQT-UHFFFAOYSA-N 1 1 285.160 3.324 20 30 CGEDMO C[N@@H+](CCCC#N)Cc1cc(Br)ccc1F ZINC000063742267 260241121 /nfs/dbraw/zinc/24/11/21/260241121.db2.gz NXCPCZHPQSDRQT-UHFFFAOYSA-N 1 1 285.160 3.324 20 30 CGEDMO Cc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2C)cc1C ZINC000072875454 260279067 /nfs/dbraw/zinc/27/90/67/260279067.db2.gz GAOPKAWFCBXWSZ-MRXNPFEDSA-N 1 1 299.418 3.034 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCCC[C@H]2C[C@@H](C)O)c1 ZINC000448363736 261127376 /nfs/dbraw/zinc/12/73/76/261127376.db2.gz DCBFIANFVPGREN-WBVHZDCISA-N 1 1 289.419 3.377 20 30 CGEDMO C=CC[C@H]1[N@@H+](C[C@H](O)COCC(C)C)CCCC1(C)C ZINC000444783738 261178521 /nfs/dbraw/zinc/17/85/21/261178521.db2.gz TXBLBZFLTAQZIG-JKSUJKDBSA-N 1 1 283.456 3.087 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccccn1 ZINC000104947275 261305590 /nfs/dbraw/zinc/30/55/90/261305590.db2.gz ARITVYWFKLWYHC-UHFFFAOYSA-N 1 1 268.360 3.278 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccccn1 ZINC000104947275 261305592 /nfs/dbraw/zinc/30/55/92/261305592.db2.gz ARITVYWFKLWYHC-UHFFFAOYSA-N 1 1 268.360 3.278 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000184086463 262008513 /nfs/dbraw/zinc/00/85/13/262008513.db2.gz YYIHXTNXHQECNQ-CQSZACIVSA-N 1 1 282.347 3.051 20 30 CGEDMO C[C@@H](CC#N)[N@@H+](C)CCCCCOc1ccccc1 ZINC000187180848 262127092 /nfs/dbraw/zinc/12/70/92/262127092.db2.gz NARKTMLHLJJWBW-HNNXBMFYSA-N 1 1 260.381 3.470 20 30 CGEDMO C=CC1CC[NH+](Cc2nc(CCC(C)C)no2)CC1 ZINC000111258000 262258475 /nfs/dbraw/zinc/25/84/75/262258475.db2.gz QZIMLAPTKQZEKR-UHFFFAOYSA-N 1 1 263.385 3.056 20 30 CGEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1cccc(F)c1C#N ZINC000228547828 262341180 /nfs/dbraw/zinc/34/11/80/262341180.db2.gz QLJANIBXSLELJR-MJBXVCDLSA-N 1 1 289.398 3.476 20 30 CGEDMO C[C@H]1C[C@H]([N@@H+](C)CCCCC(C)(C)C#N)CCN1C ZINC000336806217 262395894 /nfs/dbraw/zinc/39/58/94/262395894.db2.gz LGKYUELFGUKIFX-LSDHHAIUSA-N 1 1 265.445 3.121 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@@H]1CCCOC1 ZINC000336839136 262399695 /nfs/dbraw/zinc/39/96/95/262399695.db2.gz SMTKXTUFTKEJDE-CGTJXYLNSA-N 1 1 284.403 3.185 20 30 CGEDMO CC[C@@H]1CC[C@@H](C)[N@H+]1CCCC1(C#N)CCOCC1 ZINC000337197259 262431780 /nfs/dbraw/zinc/43/17/80/262431780.db2.gz YGWXLZRQHVIZKH-HUUCEWRRSA-N 1 1 264.413 3.350 20 30 CGEDMO C=CCOCC[N@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000339097830 262597946 /nfs/dbraw/zinc/59/79/46/262597946.db2.gz WPWFDWJIWLZFIR-UHFFFAOYSA-N 1 1 279.330 3.257 20 30 CGEDMO C=CCOCC[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000339097830 262597948 /nfs/dbraw/zinc/59/79/48/262597948.db2.gz WPWFDWJIWLZFIR-UHFFFAOYSA-N 1 1 279.330 3.257 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)Cc1ccc(OCC#N)cc1 ZINC000266646160 262917904 /nfs/dbraw/zinc/91/79/04/262917904.db2.gz CSAXMMGQEHKUOA-UHFFFAOYSA-N 1 1 285.391 3.351 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)Cc1ccc(OCC#N)cc1 ZINC000266646160 262917906 /nfs/dbraw/zinc/91/79/06/262917906.db2.gz CSAXMMGQEHKUOA-UHFFFAOYSA-N 1 1 285.391 3.351 20 30 CGEDMO C[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000271433807 262996333 /nfs/dbraw/zinc/99/63/33/262996333.db2.gz UFKVMTUYGRRGFC-CQSZACIVSA-N 1 1 281.359 3.177 20 30 CGEDMO C[C@H](C#N)Oc1ccccc1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000272626438 263007950 /nfs/dbraw/zinc/00/79/50/263007950.db2.gz ZKYXZEFUXHPWAS-ILXRZTDVSA-N 1 1 285.391 3.016 20 30 CGEDMO N#CCCC[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000273320811 263015447 /nfs/dbraw/zinc/01/54/47/263015447.db2.gz ZFVMHLPSPUBCSV-INIZCTEOSA-N 1 1 269.323 3.203 20 30 CGEDMO CC(C)COC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccco1 ZINC000282071558 263074172 /nfs/dbraw/zinc/07/41/72/263074172.db2.gz WVUFVRFPOFBGDY-ZNMIVQPWSA-N 1 1 276.380 3.275 20 30 CGEDMO N#CCCCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000285921368 263096625 /nfs/dbraw/zinc/09/66/25/263096625.db2.gz LHJNHAHPWNKKBD-SQNIBIBYSA-N 1 1 284.403 3.185 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CCC[C@H](C3CC3)C2)cc1 ZINC000288791565 263106034 /nfs/dbraw/zinc/10/60/34/263106034.db2.gz CJFYMAJGLXWUTR-INIZCTEOSA-N 1 1 270.376 3.211 20 30 CGEDMO CC[C@@H]1C[N@@H+](CCOCCC#N)CC[C@H]1c1ccccc1 ZINC000292892192 263136171 /nfs/dbraw/zinc/13/61/71/263136171.db2.gz VFGIZPJXWLPLQS-SJLPKXTDSA-N 1 1 286.419 3.432 20 30 CGEDMO C[N@@H+](CCCOCc1ccccc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000293683472 263146748 /nfs/dbraw/zinc/14/67/48/263146748.db2.gz AQQMXHFXZHUEBD-IAGOWNOFSA-N 1 1 272.392 3.217 20 30 CGEDMO CC1(C)C[N@H+]([C@@H]2CC[C@H](C#N)C2)Cc2ccccc21 ZINC000293817654 263150163 /nfs/dbraw/zinc/15/01/63/263150163.db2.gz OUHAEUKWJBGAHG-DZGCQCFKSA-N 1 1 254.377 3.472 20 30 CGEDMO CC[C@@H]1CN([C@H]2CC[C@@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000294631419 263164805 /nfs/dbraw/zinc/16/48/05/263164805.db2.gz PIJCTWJTMAOHIC-QRVBRYPASA-N 1 1 297.446 3.275 20 30 CGEDMO CC[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C#N)C2)CCN1Cc1ccccc1 ZINC000294631419 263164806 /nfs/dbraw/zinc/16/48/06/263164806.db2.gz PIJCTWJTMAOHIC-QRVBRYPASA-N 1 1 297.446 3.275 20 30 CGEDMO CC[C@@H]1C[N@H+]([C@H]2CC[C@@H](C#N)C2)CCN1Cc1ccccc1 ZINC000294631419 263164807 /nfs/dbraw/zinc/16/48/07/263164807.db2.gz PIJCTWJTMAOHIC-QRVBRYPASA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@H]([N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1)C(C)(C)O ZINC000295139755 263173008 /nfs/dbraw/zinc/17/30/08/263173008.db2.gz KVBYLBKHRMJNFM-LBPRGKRZSA-N 1 1 299.336 3.148 20 30 CGEDMO C=CCC1(C[NH2+][C@H]2CCN(C)C[C@@H]2C)CCCC1 ZINC000453385601 263257391 /nfs/dbraw/zinc/25/73/91/263257391.db2.gz UVBJISRDNHXCME-GJZGRUSLSA-N 1 1 250.430 3.053 20 30 CGEDMO C=CC[C@H](C(=O)NCC[N@H+](C)[C@H](C)CC)c1ccccc1 ZINC000189017788 264268929 /nfs/dbraw/zinc/26/89/29/264268929.db2.gz VBNBCUDHUPVOSS-WBVHZDCISA-N 1 1 288.435 3.193 20 30 CGEDMO C=CCC[C@@H](C(=O)NCC[N@H+](C)C(C)C)c1ccccc1 ZINC000189508419 264303229 /nfs/dbraw/zinc/30/32/29/264303229.db2.gz VRUFKSGMUFTCID-QGZVFWFLSA-N 1 1 288.435 3.193 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)C[C@H](O)C1CCCCC1 ZINC000475328503 264305043 /nfs/dbraw/zinc/30/50/43/264305043.db2.gz CGNWQRLVNKWYQH-KRWDZBQOSA-N 1 1 277.408 3.251 20 30 CGEDMO C=CCCC[N@@H+](C)Cc1nc([C@@H](C)SCC)no1 ZINC000132612292 264391011 /nfs/dbraw/zinc/39/10/11/264391011.db2.gz NJBYTIPVADERKH-LLVKDONJSA-N 1 1 269.414 3.282 20 30 CGEDMO C=CCCC[N@H+](C)Cc1nc([C@@H](C)SCC)no1 ZINC000132612292 264391012 /nfs/dbraw/zinc/39/10/12/264391012.db2.gz NJBYTIPVADERKH-LLVKDONJSA-N 1 1 269.414 3.282 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@H](O)C23CCCC3)c1 ZINC000294063195 265005189 /nfs/dbraw/zinc/00/51/89/265005189.db2.gz XWYHBSDWOQPCQH-KRWDZBQOSA-N 1 1 287.403 3.131 20 30 CGEDMO CCO[C@H]1C[C@H]([N@@H+](C)CCC(C)(C)C#N)C12CCC2 ZINC000345706629 265097483 /nfs/dbraw/zinc/09/74/83/265097483.db2.gz GAODRWLQMYNEFW-KBPBESRZSA-N 1 1 264.413 3.206 20 30 CGEDMO C=CCOc1ccc(C[N@H+](CCO)[C@H]2CC[C@H](C)C2)cc1 ZINC000356365865 266102717 /nfs/dbraw/zinc/10/27/17/266102717.db2.gz NSMOUAIQACULLA-RDJZCZTQSA-N 1 1 289.419 3.234 20 30 CGEDMO C=CC[N@@H+](CCCOCCc1ccccc1)C1CC1 ZINC000357552083 266321716 /nfs/dbraw/zinc/32/17/16/266321716.db2.gz KDCSKDWEPRVUGQ-UHFFFAOYSA-N 1 1 259.393 3.286 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000357556394 266323483 /nfs/dbraw/zinc/32/34/83/266323483.db2.gz WLFMRIKJVBFLBH-UHFFFAOYSA-N 1 1 298.308 3.294 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000357556394 266323485 /nfs/dbraw/zinc/32/34/85/266323485.db2.gz WLFMRIKJVBFLBH-UHFFFAOYSA-N 1 1 298.308 3.294 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](CNc2c(Cl)cccc2C#N)C1 ZINC000531788810 266919761 /nfs/dbraw/zinc/91/97/61/266919761.db2.gz PPGOCNLFSNOYEB-LBPRGKRZSA-N 1 1 277.799 3.354 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000363170638 267078363 /nfs/dbraw/zinc/07/83/63/267078363.db2.gz LIYNFJFKMCYRKM-MRXNPFEDSA-N 1 1 272.392 3.470 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000367689235 267109543 /nfs/dbraw/zinc/10/95/43/267109543.db2.gz UNDSCDXOFRWVRJ-HOTGVXAUSA-N 1 1 278.440 3.455 20 30 CGEDMO C#CCC[N@H+](CC(C)C)[C@H]1CCCc2cccnc21 ZINC000368375281 267166959 /nfs/dbraw/zinc/16/69/59/267166959.db2.gz UBAYYBWUQZADMH-INIZCTEOSA-N 1 1 256.393 3.440 20 30 CGEDMO CC[C@H](C)[C@@H](C)[N@@H+](Cc1ccc(C#N)cn1)C1CC1 ZINC000519759844 267204710 /nfs/dbraw/zinc/20/47/10/267204710.db2.gz PCDYKTNNFJNEFP-QWHCGFSZSA-N 1 1 257.381 3.352 20 30 CGEDMO C=CCCC[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000117878213 267223883 /nfs/dbraw/zinc/22/38/83/267223883.db2.gz OVLXRLCGFKNVDF-OAHLLOKOSA-N 1 1 267.319 3.304 20 30 CGEDMO C=CCCC[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000117878213 267223884 /nfs/dbraw/zinc/22/38/84/267223884.db2.gz OVLXRLCGFKNVDF-OAHLLOKOSA-N 1 1 267.319 3.304 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000370494600 267323573 /nfs/dbraw/zinc/32/35/73/267323573.db2.gz HAIJCDUOAKCNQF-CJNGLKHVSA-N 1 1 281.346 3.429 20 30 CGEDMO C[C@H]1C[C@H](NCC2(C#N)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000418140799 267361851 /nfs/dbraw/zinc/36/18/51/267361851.db2.gz KFBJPQPEAAPASU-FUHWJXTLSA-N 1 1 297.446 3.323 20 30 CGEDMO C[C@@]1(c2ccc(F)cc2)CC[N@@H+](CCCSCC#N)C1 ZINC000373791231 267710774 /nfs/dbraw/zinc/71/07/74/267710774.db2.gz JRFVHKRPYRTZTD-MRXNPFEDSA-N 1 1 292.423 3.436 20 30 CGEDMO N#Cc1ccc(NC[C@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000528115169 268249387 /nfs/dbraw/zinc/24/93/87/268249387.db2.gz OQXSZAOUEOJQCE-QGZVFWFLSA-N 1 1 269.392 3.377 20 30 CGEDMO COC(C)(C)C[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000532340095 270215506 /nfs/dbraw/zinc/21/55/06/270215506.db2.gz STABJOOKAFXGJE-UHFFFAOYSA-N 1 1 298.333 3.016 20 30 CGEDMO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccccn2)cc1C#N ZINC000532745900 270218978 /nfs/dbraw/zinc/21/89/78/270218978.db2.gz AVNWFOCXKXZKRW-KRWDZBQOSA-N 1 1 293.370 3.299 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@H]2c2ccccn2)cc1C#N ZINC000532745900 270218979 /nfs/dbraw/zinc/21/89/79/270218979.db2.gz AVNWFOCXKXZKRW-KRWDZBQOSA-N 1 1 293.370 3.299 20 30 CGEDMO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C1CCC1 ZINC000532978762 270220529 /nfs/dbraw/zinc/22/05/29/270220529.db2.gz JSVWAVBFAJVTPJ-UHFFFAOYSA-N 1 1 291.782 3.025 20 30 CGEDMO C=CCCCC(=O)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000262001364 275742530 /nfs/dbraw/zinc/74/25/30/275742530.db2.gz PYSHWPXZBQXMCT-HNNXBMFYSA-N 1 1 292.810 3.169 20 30 CGEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2)C12CCC2 ZINC000120919047 276361706 /nfs/dbraw/zinc/36/17/06/276361706.db2.gz YMKUQGRPGBHLOE-SJORKVTESA-N 1 1 284.403 3.338 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000153118115 278306205 /nfs/dbraw/zinc/30/62/05/278306205.db2.gz MFAGDEVHMFQKFH-KBRIMQKVSA-N 1 1 270.376 3.120 20 30 CGEDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000336224678 279098449 /nfs/dbraw/zinc/09/84/49/279098449.db2.gz AIGWEYMHUUEYGG-ZWNOBZJWSA-N 1 1 268.282 3.331 20 30 CGEDMO CC1(C)CC[N@H+](CCC2(C#N)CCCCC2)CC[S@]1=O ZINC000334637834 281088644 /nfs/dbraw/zinc/08/86/44/281088644.db2.gz PYBFDMJMXJXDJS-FQEVSTJZSA-N 1 1 296.480 3.084 20 30 CGEDMO CC1(C)CC[N@@H+](CCC2(C#N)CCCCC2)CC[S@]1=O ZINC000334637834 281088646 /nfs/dbraw/zinc/08/86/46/281088646.db2.gz PYBFDMJMXJXDJS-FQEVSTJZSA-N 1 1 296.480 3.084 20 30 CGEDMO CC1(C)C[N@H+]([C@H]2CC[C@H](C#N)C2)CC2(CCCC2)O1 ZINC000336440906 281265848 /nfs/dbraw/zinc/26/58/48/281265848.db2.gz BZDLMYFEVGXSLA-KBPBESRZSA-N 1 1 262.397 3.102 20 30 CGEDMO CC1(C)C[N@H+]([C@H]2CC[C@@H](C#N)C2)CC2(CCCC2)O1 ZINC000336440907 281265855 /nfs/dbraw/zinc/26/58/55/281265855.db2.gz BZDLMYFEVGXSLA-KGLIPLIRSA-N 1 1 262.397 3.102 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451705076 290220810 /nfs/dbraw/zinc/22/08/10/290220810.db2.gz LESWJGSMILWKIR-PILAGYSTSA-N 1 1 284.403 3.102 20 30 CGEDMO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCc1ccc(CC#N)cc1 ZINC000563155003 327931634 /nfs/dbraw/zinc/93/16/34/327931634.db2.gz XDLPTMOBZTZPMK-QAPCUYQASA-N 1 1 285.435 3.153 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000411267101 328081499 /nfs/dbraw/zinc/08/14/99/328081499.db2.gz KQWJHRFWTBXJAV-HOCLYGCPSA-N 1 1 258.365 3.222 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+][C@H]1CCc2c1cccc2Cl ZINC000571231541 328094145 /nfs/dbraw/zinc/09/41/45/328094145.db2.gz PSWKOEJCQXWERU-ABAIWWIYSA-N 1 1 273.767 3.360 20 30 CGEDMO N#CCC[C@H](C#N)C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000264909361 328162793 /nfs/dbraw/zinc/16/27/93/328162793.db2.gz YRPPQVNRARJIQJ-HIFRSBDPSA-N 1 1 271.339 3.059 20 30 CGEDMO N#CCC[C@H](C#N)C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000264909361 328162794 /nfs/dbraw/zinc/16/27/94/328162794.db2.gz YRPPQVNRARJIQJ-HIFRSBDPSA-N 1 1 271.339 3.059 20 30 CGEDMO Cn1c[nH+]c2cc(N[C@@H]3CCC[C@@H](C#N)C3)ccc21 ZINC000278613460 328228483 /nfs/dbraw/zinc/22/84/83/328228483.db2.gz FTUJRSVSRBXSJY-VXGBXAGGSA-N 1 1 254.337 3.068 20 30 CGEDMO C[C@H]1C[C@@H](CO)CC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000289031674 328253957 /nfs/dbraw/zinc/25/39/57/328253957.db2.gz OVZYTICHSNEJKJ-GJZGRUSLSA-N 1 1 286.419 3.081 20 30 CGEDMO N#CCCC[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000185318556 329272962 /nfs/dbraw/zinc/27/29/62/329272962.db2.gz CGPWHZCFOIEHDY-LLVKDONJSA-N 1 1 250.292 3.058 20 30 CGEDMO C[N@H+](CC#Cc1cccc(Cl)c1)CCOCC1CC1 ZINC000156802909 328299318 /nfs/dbraw/zinc/29/93/18/328299318.db2.gz XCUJEXAZQGFZRN-UHFFFAOYSA-N 1 1 277.795 3.050 20 30 CGEDMO Cc1ccccc1[C@]1(F)CC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000565163057 322064104 /nfs/dbraw/zinc/06/41/04/322064104.db2.gz JXCMGXUTPCBHRY-SFHVURJKSA-N 1 1 295.361 3.332 20 30 CGEDMO Cc1ccccc1[C@]1(F)CC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000565163057 322064105 /nfs/dbraw/zinc/06/41/05/322064105.db2.gz JXCMGXUTPCBHRY-SFHVURJKSA-N 1 1 295.361 3.332 20 30 CGEDMO C[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000570695477 322280022 /nfs/dbraw/zinc/28/00/22/322280022.db2.gz UQANPJYVGHSHMD-ZWNOBZJWSA-N 1 1 283.297 3.116 20 30 CGEDMO C[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000570695477 322280023 /nfs/dbraw/zinc/28/00/23/322280023.db2.gz UQANPJYVGHSHMD-ZWNOBZJWSA-N 1 1 283.297 3.116 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@H]1CCC(C)(C)C1 ZINC000571332166 322295943 /nfs/dbraw/zinc/29/59/43/322295943.db2.gz VUUNFYHIBYQJQZ-AWEZNQCLSA-N 1 1 287.363 3.477 20 30 CGEDMO CC(C)[N@H+](CCC#N)Cc1cccc(OC(F)F)c1 ZINC000535076940 328384638 /nfs/dbraw/zinc/38/46/38/328384638.db2.gz FHSRNRJTPUCPLJ-UHFFFAOYSA-N 1 1 268.307 3.412 20 30 CGEDMO CC(C)[N@@H+](CCC#N)Cc1cccc(OC(F)F)c1 ZINC000535076940 328384640 /nfs/dbraw/zinc/38/46/40/328384640.db2.gz FHSRNRJTPUCPLJ-UHFFFAOYSA-N 1 1 268.307 3.412 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000535077710 328384644 /nfs/dbraw/zinc/38/46/44/328384644.db2.gz YTFJMHQQOZMVMC-LBPRGKRZSA-N 1 1 292.345 3.360 20 30 CGEDMO C=CCOCC[N@H+](C)Cc1ccc(Br)cc1 ZINC000338896023 327007317 /nfs/dbraw/zinc/00/73/17/327007317.db2.gz TUJSGSWFUBNTJA-UHFFFAOYSA-N 1 1 284.197 3.084 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+][C@H]1CCCc2sccc21 ZINC000558679172 327113714 /nfs/dbraw/zinc/11/37/14/327113714.db2.gz LVRUBPHLEQDYHZ-YPMHNXCESA-N 1 1 259.378 3.159 20 30 CGEDMO C[N@@H+](CCCSCC#N)[C@@H]1CCc2ccccc21 ZINC000074981529 327122631 /nfs/dbraw/zinc/12/26/31/327122631.db2.gz BWCYOBOGWZLGQS-OAHLLOKOSA-N 1 1 260.406 3.253 20 30 CGEDMO C[N@@H+](CCCSCC#N)[C@H]1CCc2ccccc21 ZINC000074981530 327122648 /nfs/dbraw/zinc/12/26/48/327122648.db2.gz BWCYOBOGWZLGQS-HNNXBMFYSA-N 1 1 260.406 3.253 20 30 CGEDMO N#CCSCCC[N@@H+](Cc1ccccc1)C1CC1 ZINC000074980941 327122846 /nfs/dbraw/zinc/12/28/46/327122846.db2.gz BEZFTZBZKHVFJV-UHFFFAOYSA-N 1 1 260.406 3.298 20 30 CGEDMO Cc1ccc(C[N@@H+](C)CCCSCC#N)s1 ZINC000074990191 327122855 /nfs/dbraw/zinc/12/28/55/327122855.db2.gz OYSCWIXWEZNKBD-UHFFFAOYSA-N 1 1 254.424 3.135 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)Cc1ccc(C#N)cn1 ZINC000559290030 327155310 /nfs/dbraw/zinc/15/53/10/327155310.db2.gz AWPOSZLENWUCMN-UHFFFAOYSA-N 1 1 277.371 3.184 20 30 CGEDMO CC[C@H]1CC[N@H+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000125871059 327396237 /nfs/dbraw/zinc/39/62/37/327396237.db2.gz SWBKGBPFKBMPIA-HOTGVXAUSA-N 1 1 299.418 3.054 20 30 CGEDMO CCC[N@@H+](CC)C[C@H](C)Nc1cccc(F)c1C#N ZINC000582578681 329110053 /nfs/dbraw/zinc/11/00/53/329110053.db2.gz BUKJQXRRSDSRNL-LBPRGKRZSA-N 1 1 263.360 3.230 20 30 CGEDMO C=CCCCC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000175329264 329164852 /nfs/dbraw/zinc/16/48/52/329164852.db2.gz WBVASHKHOKTCMT-HNNXBMFYSA-N 1 1 266.429 3.114 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(OC(C)C)c(OC)c1 ZINC000181043288 329225187 /nfs/dbraw/zinc/22/51/87/329225187.db2.gz WGBPSFANIDILQB-UHFFFAOYSA-N 1 1 263.381 3.490 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000181277675 329229187 /nfs/dbraw/zinc/22/91/87/329229187.db2.gz SLCDVZDZHKGRRB-LBPRGKRZSA-N 1 1 287.363 3.314 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000181277675 329229188 /nfs/dbraw/zinc/22/91/88/329229188.db2.gz SLCDVZDZHKGRRB-LBPRGKRZSA-N 1 1 287.363 3.314 20 30 CGEDMO C=CCCC(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC000185337816 329270672 /nfs/dbraw/zinc/27/06/72/329270672.db2.gz ZJAYNLAGPHCXDR-KRWDZBQOSA-N 1 1 286.419 3.076 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186436600 329342499 /nfs/dbraw/zinc/34/24/99/329342499.db2.gz SXORJKWWDDQBEC-SFHVURJKSA-N 1 1 284.403 3.448 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H]1CC[C@@H](C)O1 ZINC000190418707 329396633 /nfs/dbraw/zinc/39/66/33/329396633.db2.gz DVHYSKVAORKILM-RHSMWYFYSA-N 1 1 275.392 3.251 20 30 CGEDMO C#CCC[NH+]1CCN(CCc2ccc3ccccc3c2)CC1 ZINC000272060119 330084716 /nfs/dbraw/zinc/08/47/16/330084716.db2.gz WIRVVNNSWNMFJT-UHFFFAOYSA-N 1 1 292.426 3.023 20 30 CGEDMO Cc1csc([C@H](C)[NH2+]CC#Cc2ccccc2)n1 ZINC000080311454 330122992 /nfs/dbraw/zinc/12/29/92/330122992.db2.gz RPCXRYUQXFWGJF-ZDUSSCGKSA-N 1 1 256.374 3.154 20 30 CGEDMO C#C[C@H](CC)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379647734 330145258 /nfs/dbraw/zinc/14/52/58/330145258.db2.gz KWGAYKKUYYSTNY-NXHRZFHOSA-N 1 1 270.420 3.041 20 30 CGEDMO C#C[C@H](CC)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379647734 330145259 /nfs/dbraw/zinc/14/52/59/330145259.db2.gz KWGAYKKUYYSTNY-NXHRZFHOSA-N 1 1 270.420 3.041 20 30 CGEDMO CC(C)(CCC#N)C[NH2+][C@H]1C[C@@H](N)c2ccccc21 ZINC000423130356 330171912 /nfs/dbraw/zinc/17/19/12/330171912.db2.gz RYFFVRRZZRPNPT-CABCVRRESA-N 1 1 257.381 3.051 20 30 CGEDMO C=CC[C@@H](C)[C@@H](C)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423528520 330210326 /nfs/dbraw/zinc/21/03/26/330210326.db2.gz OLTMCLMAOJRCCA-JJSJOZELSA-N 1 1 276.468 3.330 20 30 CGEDMO C[C@H]1CC(F)(F)CC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000528765370 330257434 /nfs/dbraw/zinc/25/74/34/330257434.db2.gz BHYWHWQVJFQUFW-LBPRGKRZSA-N 1 1 264.319 3.372 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000532978494 330323720 /nfs/dbraw/zinc/32/37/20/330323720.db2.gz WTNIDGDLGYYNHF-HNNXBMFYSA-N 1 1 292.810 3.343 20 30 CGEDMO Fc1ccc(C#CC[N@@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000533025841 330324743 /nfs/dbraw/zinc/32/47/43/330324743.db2.gz KVVSQSVUPFXKNR-SFHVURJKSA-N 1 1 280.346 3.409 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000533025841 330324744 /nfs/dbraw/zinc/32/47/44/330324744.db2.gz KVVSQSVUPFXKNR-SFHVURJKSA-N 1 1 280.346 3.409 20 30 CGEDMO C=CCn1cc(C[NH2+][C@H](C)c2cccc(C3CC3)c2)nn1 ZINC000424298703 330336649 /nfs/dbraw/zinc/33/66/49/330336649.db2.gz TTWUNNZFXDUBGL-CYBMUJFWSA-N 1 1 282.391 3.192 20 30 CGEDMO CC(C)[C@H]1CCC[N@@H+](CCCSCC#N)CC1 ZINC000080628816 330366613 /nfs/dbraw/zinc/36/66/13/330366613.db2.gz XJYOXBGSVOPJDM-AWEZNQCLSA-N 1 1 254.443 3.391 20 30 CGEDMO CS[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000451324400 331024491 /nfs/dbraw/zinc/02/44/91/331024491.db2.gz LDKFUXYABOVULK-ZDUSSCGKSA-N 1 1 265.809 3.129 20 30 CGEDMO CS[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000451324400 331024492 /nfs/dbraw/zinc/02/44/92/331024492.db2.gz LDKFUXYABOVULK-ZDUSSCGKSA-N 1 1 265.809 3.129 20 30 CGEDMO CO[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1C ZINC000451574182 331035063 /nfs/dbraw/zinc/03/50/63/331035063.db2.gz RIVCYJROXVDLMQ-CJNGLKHVSA-N 1 1 277.795 3.048 20 30 CGEDMO C=CCC(C)(C)CNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000458815120 331261260 /nfs/dbraw/zinc/26/12/60/331261260.db2.gz WWNQNMUUDLRMBN-GJZGRUSLSA-N 1 1 295.471 3.103 20 30 CGEDMO N#CCC[C@H]([NH2+]Cc1cnc(C2CC2)nc1)c1ccccc1 ZINC000459455735 331282232 /nfs/dbraw/zinc/28/22/32/331282232.db2.gz VONMIPBLODNQQI-KRWDZBQOSA-N 1 1 292.386 3.489 20 30 CGEDMO CC(C)(C)OC(=O)[C@@]1(C)CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000459591841 331289716 /nfs/dbraw/zinc/28/97/16/331289716.db2.gz UHIRUABFJNDANE-KRWDZBQOSA-N 1 1 294.439 3.370 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000459595908 331289880 /nfs/dbraw/zinc/28/98/80/331289880.db2.gz XMEFBYBSYXJFTL-OAHLLOKOSA-N 1 1 253.386 3.006 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C2CCCCC2)C[C@H]1C(=O)OC ZINC000464821288 331369582 /nfs/dbraw/zinc/36/95/82/331369582.db2.gz HWGRDMHNMDHJCW-GJZGRUSLSA-N 1 1 265.397 3.006 20 30 CGEDMO C=CCOc1cccc(CN2CC[N@@H+](C)[C@@H](C(C)C)C2)c1 ZINC000488586983 332019191 /nfs/dbraw/zinc/01/91/91/332019191.db2.gz XGBGOXAWNWRWJM-GOSISDBHSA-N 1 1 288.435 3.023 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1C[C@@H](O)CCc1ccccc1 ZINC000489496643 332056782 /nfs/dbraw/zinc/05/67/82/332056782.db2.gz YWHACRQSDOBMEE-IRXDYDNUSA-N 1 1 259.393 3.021 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000489519149 332057940 /nfs/dbraw/zinc/05/79/40/332057940.db2.gz XGCLXZKWJXGFQF-ZDUSSCGKSA-N 1 1 276.336 3.144 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1nc2cc(F)ccc2n1CC ZINC000491070770 332146034 /nfs/dbraw/zinc/14/60/34/332146034.db2.gz FILJVJXODQETRZ-UHFFFAOYSA-N 1 1 273.355 3.039 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1nc2cc(F)ccc2n1CC ZINC000491070770 332146036 /nfs/dbraw/zinc/14/60/36/332146036.db2.gz FILJVJXODQETRZ-UHFFFAOYSA-N 1 1 273.355 3.039 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(CSC(F)F)o1 ZINC000491427953 332209760 /nfs/dbraw/zinc/20/97/60/332209760.db2.gz MQVRUNJCAGKKLU-SECBINFHSA-N 1 1 259.321 3.189 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(CSC(F)F)o1 ZINC000491427953 332209761 /nfs/dbraw/zinc/20/97/61/332209761.db2.gz MQVRUNJCAGKKLU-SECBINFHSA-N 1 1 259.321 3.189 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1cccc(-c2ccncc2)c1 ZINC000491427787 332209808 /nfs/dbraw/zinc/20/98/08/332209808.db2.gz MCJLXVQQYJHQSX-AWEZNQCLSA-N 1 1 250.345 3.202 20 30 CGEDMO C#C[C@H]([NH2+]Cc1cccc2nccn21)c1ccc(Cl)cc1 ZINC000491617422 332244280 /nfs/dbraw/zinc/24/42/80/332244280.db2.gz KDFDDSQFPOTEEJ-INIZCTEOSA-N 1 1 295.773 3.452 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1ccc(C#N)c(C)c1)c1ccc(F)cc1 ZINC000491642581 332261786 /nfs/dbraw/zinc/26/17/86/332261786.db2.gz XQLRUHGLWWBZGZ-GOSISDBHSA-N 1 1 278.330 3.470 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1ccc(OC)cc1)c1ccc(F)cc1 ZINC000491673328 332279540 /nfs/dbraw/zinc/27/95/40/332279540.db2.gz ZMRBLAZKUWBIOL-QGZVFWFLSA-N 1 1 269.319 3.298 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000492416921 332396486 /nfs/dbraw/zinc/39/64/86/332396486.db2.gz LVLRGWFDTXFIFO-UHFFFAOYSA-N 1 1 278.352 3.392 20 30 CGEDMO C=CCOc1cccc(C[N@H+](CCCO)CC(C)(C)C)c1 ZINC000513638806 333028305 /nfs/dbraw/zinc/02/83/05/333028305.db2.gz WNLHCUSMGAMUAG-UHFFFAOYSA-N 1 1 291.435 3.482 20 30 CGEDMO Cc1cc(C)cc(OCCC[N@@H+](C)C[C@H](C)C#N)c1 ZINC000513956806 333054723 /nfs/dbraw/zinc/05/47/23/333054723.db2.gz JZNCLJIAIJIRKY-OAHLLOKOSA-N 1 1 260.381 3.164 20 30 CGEDMO Cc1cc(C)cc(OCCC[N@H+](C)C[C@H](C)C#N)c1 ZINC000513956806 333054724 /nfs/dbraw/zinc/05/47/24/333054724.db2.gz JZNCLJIAIJIRKY-OAHLLOKOSA-N 1 1 260.381 3.164 20 30 CGEDMO CCC(CC)[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)CC(C)C ZINC000177864817 333064563 /nfs/dbraw/zinc/06/45/63/333064563.db2.gz FEBNIMDPRUODHP-KRWDZBQOSA-N 1 1 295.471 3.187 20 30 CGEDMO C=C1CC[NH+](CC(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000517469571 333100052 /nfs/dbraw/zinc/10/00/52/333100052.db2.gz RYRFEJDZGOPEMD-ZDUSSCGKSA-N 1 1 292.810 3.169 20 30 CGEDMO CC[C@@H]1Cc2ccccc2C[N@H+]1CCCSCC#N ZINC000185786288 333148729 /nfs/dbraw/zinc/14/87/29/333148729.db2.gz YBCHGZSESLSNHS-MRXNPFEDSA-N 1 1 274.433 3.470 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000189926471 333200560 /nfs/dbraw/zinc/20/05/60/333200560.db2.gz MOPHAUQJXFAIGT-SFHVURJKSA-N 1 1 288.435 3.227 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCSC[C@@H](C)C2)c1 ZINC000190850486 333211524 /nfs/dbraw/zinc/21/15/24/333211524.db2.gz UUZVSZVYVFAGDF-AWEZNQCLSA-N 1 1 277.433 3.436 20 30 CGEDMO C=CCCCCC[N@H+](CCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000193425984 333249813 /nfs/dbraw/zinc/24/98/13/333249813.db2.gz OYWBAZKZWYTUGQ-OAHLLOKOSA-N 1 1 287.469 3.022 20 30 CGEDMO C=CCCCCC[N@H+]1CCN(CC(F)F)[C@H](CC)C1 ZINC000193459430 333250351 /nfs/dbraw/zinc/25/03/51/333250351.db2.gz STCNOCRMIVQPKG-CQSZACIVSA-N 1 1 274.399 3.394 20 30 CGEDMO C=CCC[C@H]([NH2+]Cc1nnnn1CCCC)c1ccccc1 ZINC000539358744 333667312 /nfs/dbraw/zinc/66/73/12/333667312.db2.gz SVHFPYJGFVVZMC-INIZCTEOSA-N 1 1 299.422 3.270 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCOC2(CCOCC2)CC1 ZINC000545984486 334010405 /nfs/dbraw/zinc/01/04/05/334010405.db2.gz WBBLPKQBNFYEED-HNNXBMFYSA-N 1 1 267.413 3.003 20 30 CGEDMO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1cccc(OC(F)F)c1 ZINC000133706776 334050725 /nfs/dbraw/zinc/05/07/25/334050725.db2.gz KZYCZQSZXLKIQI-RYUDHWBXSA-N 1 1 293.317 3.382 20 30 CGEDMO C[N@@H+](CC#Cc1cccc(Cl)c1)[C@@H](CO)C(C)(C)C ZINC000134445666 334090862 /nfs/dbraw/zinc/09/08/62/334090862.db2.gz WPTUUNXOALJGAK-HNNXBMFYSA-N 1 1 279.811 3.030 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000134820424 334105152 /nfs/dbraw/zinc/10/51/52/334105152.db2.gz IRJLONZSSHDOFA-HNNXBMFYSA-N 1 1 261.340 3.439 20 30 CGEDMO Cc1cc(Br)ccc1C[NH2+]CC(C)(C)C#N ZINC000134976394 334110315 /nfs/dbraw/zinc/11/03/15/334110315.db2.gz KSBUNLMJGOPPGN-UHFFFAOYSA-N 1 1 281.197 3.397 20 30 CGEDMO C=C(C)CN(CC)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000079394114 334153340 /nfs/dbraw/zinc/15/33/40/334153340.db2.gz NZVXUFLHUVRJHK-MRXNPFEDSA-N 1 1 295.471 3.106 20 30 CGEDMO FC(F)O[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000549415408 334193320 /nfs/dbraw/zinc/19/33/20/334193320.db2.gz NUHHFIXSCODCTG-ZDUSSCGKSA-N 1 1 285.721 3.005 20 30 CGEDMO FC(F)O[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000549415408 334193322 /nfs/dbraw/zinc/19/33/22/334193322.db2.gz NUHHFIXSCODCTG-ZDUSSCGKSA-N 1 1 285.721 3.005 20 30 CGEDMO C=CCOCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000549709238 334202313 /nfs/dbraw/zinc/20/23/13/334202313.db2.gz VYETUVYYWJEMAN-KSZLIROESA-N 1 1 271.404 3.457 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000248889748 334320995 /nfs/dbraw/zinc/32/09/95/334320995.db2.gz FODUMPDSPNKOMG-RHSMWYFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C[N@H+](CCCN[C@@H]1CCC[C@@H](C#N)C1)C1CCCCC1 ZINC000248912238 334321819 /nfs/dbraw/zinc/32/18/19/334321819.db2.gz VNLBSKPJSNWHLK-HZPDHXFCSA-N 1 1 277.456 3.313 20 30 CGEDMO C[N@@H+](CCCN[C@@H]1CCC[C@@H](C#N)C1)C1CCCCC1 ZINC000248912238 334321820 /nfs/dbraw/zinc/32/18/20/334321820.db2.gz VNLBSKPJSNWHLK-HZPDHXFCSA-N 1 1 277.456 3.313 20 30 CGEDMO C=CC[C@@H](C(=O)NCC[N@H+](C)[C@@H](C)CC)c1ccccc1 ZINC000249589950 334337610 /nfs/dbraw/zinc/33/76/10/334337610.db2.gz VBNBCUDHUPVOSS-DOTOQJQBSA-N 1 1 288.435 3.193 20 30 CGEDMO CC[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@@H](C)O1 ZINC000252652993 334384079 /nfs/dbraw/zinc/38/40/79/334384079.db2.gz RIBWGOPVASHXNB-GDBMZVCRSA-N 1 1 286.419 3.487 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCc2sc(Cl)cc21 ZINC000567290795 334701252 /nfs/dbraw/zinc/70/12/52/334701252.db2.gz PEKOLJPFUVDBAP-MWLCHTKSSA-N 1 1 279.796 3.422 20 30 CGEDMO C[C@]1(Cc2cccc(F)c2)CCC[N@H+]1CCOCCC#N ZINC000577219156 335324981 /nfs/dbraw/zinc/32/49/81/335324981.db2.gz VAYNPEJXQLGEKY-QGZVFWFLSA-N 1 1 290.382 3.153 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1CCC(C)(C)C#N ZINC000345710698 335331646 /nfs/dbraw/zinc/33/16/46/335331646.db2.gz KXLQZMIOMKCAKW-INIZCTEOSA-N 1 1 285.435 3.133 20 30 CGEDMO C[C@H]1CN(Cc2ccccc2)CC[N@@H+]1CCC(C)(C)C#N ZINC000345710698 335331648 /nfs/dbraw/zinc/33/16/48/335331648.db2.gz KXLQZMIOMKCAKW-INIZCTEOSA-N 1 1 285.435 3.133 20 30 CGEDMO C[C@H]1CN(Cc2ccccc2)CC[N@H+]1CCC(C)(C)C#N ZINC000345710698 335331650 /nfs/dbraw/zinc/33/16/50/335331650.db2.gz KXLQZMIOMKCAKW-INIZCTEOSA-N 1 1 285.435 3.133 20 30 CGEDMO C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cc(C#N)ccc1F ZINC000581579529 336105465 /nfs/dbraw/zinc/10/54/65/336105465.db2.gz CULOXDGMGFSQPE-CQSZACIVSA-N 1 1 298.361 3.080 20 30 CGEDMO C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(C#N)ccc1F ZINC000581579529 336105467 /nfs/dbraw/zinc/10/54/67/336105467.db2.gz CULOXDGMGFSQPE-CQSZACIVSA-N 1 1 298.361 3.080 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccccc1[N+](=O)[O-] ZINC000358206296 533913290 /nfs/dbraw/zinc/91/32/90/533913290.db2.gz RVHPIRGJDAUFJY-NSHDSACASA-N 1 1 299.305 3.456 20 30 CGEDMO CSc1ccc(C[NH+]2CCC(C#N)CC2)s1 ZINC000336011808 534203980 /nfs/dbraw/zinc/20/39/80/534203980.db2.gz AXDTVEXSYVPSLR-UHFFFAOYSA-N 1 1 252.408 3.206 20 30 CGEDMO N#CCCCOc1cccc(C[N@@H+]2CCC[C@@H]2CF)c1 ZINC000354520627 534616028 /nfs/dbraw/zinc/61/60/28/534616028.db2.gz KYMYUIFBIAKQRC-OAHLLOKOSA-N 1 1 276.355 3.303 20 30 CGEDMO CC[C@H]1CCCCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000150736465 522999046 /nfs/dbraw/zinc/99/90/46/522999046.db2.gz FHHNEFFKHKDVQQ-ZDUSSCGKSA-N 1 1 291.420 3.213 20 30 CGEDMO CC[C@H]1CCCCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000150736465 522999054 /nfs/dbraw/zinc/99/90/54/522999054.db2.gz FHHNEFFKHKDVQQ-ZDUSSCGKSA-N 1 1 291.420 3.213 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000246692144 534722858 /nfs/dbraw/zinc/72/28/58/534722858.db2.gz ZQOQFRGVQUSDPB-JSGCOSHPSA-N 1 1 251.395 3.476 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@@H](CSC)C2)cc1C#N ZINC000292429405 524028035 /nfs/dbraw/zinc/02/80/35/524028035.db2.gz NLTGBNPFBDWVDI-CQSZACIVSA-N 1 1 290.432 3.142 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CCc3ccccc3C2)c1 ZINC000154422238 534828910 /nfs/dbraw/zinc/82/89/10/534828910.db2.gz NOEUMKDDKLCWJS-UHFFFAOYSA-N 1 1 254.358 3.178 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCc3ccccc3C2)c1 ZINC000154422238 534828914 /nfs/dbraw/zinc/82/89/14/534828914.db2.gz NOEUMKDDKLCWJS-UHFFFAOYSA-N 1 1 254.358 3.178 20 30 CGEDMO C=CCN(CCc1ccco1)CC[C@@H]1CCCC[N@@H+]1C ZINC000352699699 526325593 /nfs/dbraw/zinc/32/55/93/526325593.db2.gz CMDHUWJAPCUFPE-INIZCTEOSA-N 1 1 276.424 3.185 20 30 CGEDMO CC(C)(C)OCCCC[N@H+](CC#N)C1CCCC1 ZINC000354912540 526549554 /nfs/dbraw/zinc/54/95/54/526549554.db2.gz IMDKADDONOQEJP-UHFFFAOYSA-N 1 1 252.402 3.350 20 30 CGEDMO CC(C)(C)OCCCC[N@@H+](CC#N)C1CCCC1 ZINC000354912540 526549557 /nfs/dbraw/zinc/54/95/57/526549557.db2.gz IMDKADDONOQEJP-UHFFFAOYSA-N 1 1 252.402 3.350 20 30 CGEDMO CC(C)(C)OCCCC[N@@H+](CCC#N)CC1CC1 ZINC000354841504 526549777 /nfs/dbraw/zinc/54/97/77/526549777.db2.gz FGOLELZMQOFVCD-UHFFFAOYSA-N 1 1 252.402 3.207 20 30 CGEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC=C(c2cc(C)cc(C)c2)CC1 ZINC000354825516 526621087 /nfs/dbraw/zinc/62/10/87/526621087.db2.gz CQCYELWUTPKGIG-MRXNPFEDSA-N 1 1 298.430 3.083 20 30 CGEDMO C=CCOCCC[N@@H+](CC=C)Cc1ccccc1F ZINC000347958960 526747925 /nfs/dbraw/zinc/74/79/25/526747925.db2.gz DDSQSPBYEVWYLJ-UHFFFAOYSA-N 1 1 263.356 3.406 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCOC(C)(C)[C@@H]2C)cc1 ZINC000353863182 526869388 /nfs/dbraw/zinc/86/93/88/526869388.db2.gz FYVJRYAYVBCJFJ-AWEZNQCLSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CCOc1ccc(C[NH2+][C@H](CC)c2nccn2C)cc1 ZINC000353858781 526891078 /nfs/dbraw/zinc/89/10/78/526891078.db2.gz UWWHUSQFVCEYCD-MRXNPFEDSA-N 1 1 285.391 3.226 20 30 CGEDMO C=CCCC1(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000353689255 527087326 /nfs/dbraw/zinc/08/73/26/527087326.db2.gz YXNVOEGMHFCDJJ-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[C@H](CC)NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000347709411 527151472 /nfs/dbraw/zinc/15/14/72/527151472.db2.gz UIXFCPGBVUKGRO-HOTGVXAUSA-N 1 1 295.471 3.295 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000346976274 527194605 /nfs/dbraw/zinc/19/46/05/527194605.db2.gz ZLKTXTTVOMLLKZ-CABCVRRESA-N 1 1 286.419 3.251 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000347073976 527275801 /nfs/dbraw/zinc/27/58/01/527275801.db2.gz GRQWYWGVMREMIA-DOTOQJQBSA-N 1 1 274.408 3.417 20 30 CGEDMO C=CCC[C@@H](NC[C@@H]1CCC[N@H+]1CC)c1ccco1 ZINC000353444001 527450055 /nfs/dbraw/zinc/45/00/55/527450055.db2.gz FEBQCSOXNZMCOB-LSDHHAIUSA-N 1 1 262.397 3.361 20 30 CGEDMO C=CCC[C@@H](NC[C@@H]1CCC[N@@H+]1CC)c1ccco1 ZINC000353444001 527450060 /nfs/dbraw/zinc/45/00/60/527450060.db2.gz FEBQCSOXNZMCOB-LSDHHAIUSA-N 1 1 262.397 3.361 20 30 CGEDMO C(#Cc1ccccc1)C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000352544098 527465231 /nfs/dbraw/zinc/46/52/31/527465231.db2.gz NSBJRHLJPFBYRT-UHFFFAOYSA-N 1 1 263.340 3.420 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCC=C(c2ccco2)C1 ZINC000352544098 527465235 /nfs/dbraw/zinc/46/52/35/527465235.db2.gz NSBJRHLJPFBYRT-UHFFFAOYSA-N 1 1 263.340 3.420 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)C[C@H]1CCO[C@@H](C)C1 ZINC000352716822 527715669 /nfs/dbraw/zinc/71/56/69/527715669.db2.gz HLGNVLUKTMVAPX-GJZGRUSLSA-N 1 1 252.402 3.063 20 30 CGEDMO CC[N@@H+](CC(=O)N[C@H](CCCC#N)c1ccccc1)C1CC1 ZINC000352205563 527916743 /nfs/dbraw/zinc/91/67/43/527916743.db2.gz GTNQVSSYXPEREC-QGZVFWFLSA-N 1 1 299.418 3.022 20 30 CGEDMO CC[N@@H+](CCC1CC1)Cc1cn2ccccc2c1C#N ZINC000355056698 528424487 /nfs/dbraw/zinc/42/44/87/528424487.db2.gz KXVKDDJNYXFFDZ-UHFFFAOYSA-N 1 1 267.376 3.433 20 30 CGEDMO CC(C)[N@@H+](C)CCCN[C@H](C)c1ccc(C#N)cc1F ZINC000358561301 528817834 /nfs/dbraw/zinc/81/78/34/528817834.db2.gz GIKKASAGKZEYOT-CYBMUJFWSA-N 1 1 277.387 3.078 20 30 CGEDMO CCOC[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439433872 529019289 /nfs/dbraw/zinc/01/92/89/529019289.db2.gz ABBWBRLJKRUAEB-AWEZNQCLSA-N 1 1 292.810 3.460 20 30 CGEDMO C[N@H+]1CCC[C@H](CNc2cccc(C(F)F)c2C#N)C1 ZINC000517039822 536386799 /nfs/dbraw/zinc/38/67/99/536386799.db2.gz KOYYXPLUUGWYDN-LLVKDONJSA-N 1 1 279.334 3.250 20 30 CGEDMO Cc1[nH+]c(C=NNc2ccc(Cl)nc2)c2ccccn12 ZINC000743450032 572398773 /nfs/dbraw/zinc/39/87/73/572398773.db2.gz DZJPTWIQQXHOSW-UHFFFAOYSA-N 1 1 285.738 3.137 20 30 CGEDMO N#CCOc1ccc(C[NH+]2Cc3ccccc3C2)cc1 ZINC000731213232 572403199 /nfs/dbraw/zinc/40/31/99/572403199.db2.gz XUSHCQCVIPPPBF-UHFFFAOYSA-N 1 1 264.328 3.105 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000725799460 572407271 /nfs/dbraw/zinc/40/72/71/572407271.db2.gz UZHRHSPPSUTVJP-HUUCEWRRSA-N 1 1 294.439 3.426 20 30 CGEDMO C[C@@H]1C[C@H](/N=C\c2c(O)ccc3ccccc32)CC[N@H+]1C ZINC000741463324 572412129 /nfs/dbraw/zinc/41/21/29/572412129.db2.gz DCHNZJHDLANYMT-WTSPJTHGSA-N 1 1 282.387 3.447 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000740877307 572464935 /nfs/dbraw/zinc/46/49/35/572464935.db2.gz LWFAZPYQUPTPFG-INIZCTEOSA-N 1 1 280.456 3.434 20 30 CGEDMO CC[N@H+]1CCC(N=Nc2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000741459568 572499866 /nfs/dbraw/zinc/49/98/66/572499866.db2.gz DINTUVNBDZQKKM-GFCCVEGCSA-N 1 1 290.367 3.033 20 30 CGEDMO CN(C)c1ccccc1C[NH2+]Cc1cc(C#N)ccc1F ZINC000742381809 572572537 /nfs/dbraw/zinc/57/25/37/572572537.db2.gz KUYWKHDGMFHYCT-UHFFFAOYSA-N 1 1 283.350 3.053 20 30 CGEDMO C#CC[N@@H+](CC#CC)Cc1ccc(Cl)c2cccnc12 ZINC000743854566 572690771 /nfs/dbraw/zinc/69/07/71/572690771.db2.gz DCFXMIMPUGVXCQ-UHFFFAOYSA-N 1 1 282.774 3.347 20 30 CGEDMO C#CC[N@H+](CC#CC)Cc1ccc(Cl)c2cccnc12 ZINC000743854566 572690773 /nfs/dbraw/zinc/69/07/73/572690773.db2.gz DCFXMIMPUGVXCQ-UHFFFAOYSA-N 1 1 282.774 3.347 20 30 CGEDMO CCOCC[N@@H+](CC)Cc1cc(Cl)ccc1OCC#N ZINC000735308994 572714070 /nfs/dbraw/zinc/71/40/70/572714070.db2.gz BJERSKYXUVPZQG-UHFFFAOYSA-N 1 1 296.798 3.101 20 30 CGEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC2(CCCC2)C1 ZINC000744422120 572751424 /nfs/dbraw/zinc/75/14/24/572751424.db2.gz RIWYKMJURIYJKN-MRXNPFEDSA-N 1 1 298.386 3.038 20 30 CGEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC2(CCCC2)C1 ZINC000744422120 572751427 /nfs/dbraw/zinc/75/14/27/572751427.db2.gz RIWYKMJURIYJKN-MRXNPFEDSA-N 1 1 298.386 3.038 20 30 CGEDMO C=CCCC[N@H+](C)CN1C[C@H](c2ccccc2C)CC1=O ZINC000736590376 572800195 /nfs/dbraw/zinc/80/01/95/572800195.db2.gz UJBMKXFIGGZOAK-MRXNPFEDSA-N 1 1 286.419 3.166 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1cccc(OC)c1 ZINC000746157866 572858001 /nfs/dbraw/zinc/85/80/01/572858001.db2.gz WOZZUEOURFSRFQ-UHFFFAOYSA-N 1 1 265.356 3.331 20 30 CGEDMO Cc1cc(F)ccc1[C@H](O)C[N@@H+](CCC#N)CCC(C)C ZINC000746671279 572890664 /nfs/dbraw/zinc/89/06/64/572890664.db2.gz CDTOPHCOGPHYOU-QGZVFWFLSA-N 1 1 292.398 3.429 20 30 CGEDMO Cc1cc(F)ccc1[C@H](O)C[N@H+](CCC#N)CCC(C)C ZINC000746671279 572890668 /nfs/dbraw/zinc/89/06/68/572890668.db2.gz CDTOPHCOGPHYOU-QGZVFWFLSA-N 1 1 292.398 3.429 20 30 CGEDMO C=C(C)C[N@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000747533508 572934900 /nfs/dbraw/zinc/93/49/00/572934900.db2.gz NQVLHOOHTRVNPO-UHFFFAOYSA-N 1 1 270.417 3.045 20 30 CGEDMO CN1CCCc2cc(C=[NH+]Nc3cccc(C#N)c3)ccc21 ZINC000748033447 572958467 /nfs/dbraw/zinc/95/84/67/572958467.db2.gz JYTZOLVYMPVKMW-UHFFFAOYSA-N 1 1 290.370 3.387 20 30 CGEDMO CCCCCC[N@@H+](C)CC(=O)N[C@H](C#N)C1CCCCC1 ZINC000748721123 572982909 /nfs/dbraw/zinc/98/29/09/572982909.db2.gz KDURKKQHEGCETR-MRXNPFEDSA-N 1 1 293.455 3.087 20 30 CGEDMO C#Cc1cccc(NC(=O)N(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)c1 ZINC000749118154 572989369 /nfs/dbraw/zinc/98/93/69/572989369.db2.gz ANFRTKZBUGNVCM-YOEHRIQHSA-N 1 1 299.418 3.004 20 30 CGEDMO C=C(C)C[N@@H+](C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000749482446 573011941 /nfs/dbraw/zinc/01/19/41/573011941.db2.gz YLEVIFRNPYMUII-CQSZACIVSA-N 1 1 280.412 3.036 20 30 CGEDMO C=C(C)C[N@@H+](C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000749482445 573012307 /nfs/dbraw/zinc/01/23/07/573012307.db2.gz YLEVIFRNPYMUII-AWEZNQCLSA-N 1 1 280.412 3.036 20 30 CGEDMO CCCCCCCC[N@@H+]1C[C@H](COC)O[C@@H](C)C1 ZINC000784367858 628809936 /nfs/dbraw/zinc/80/99/36/628809936.db2.gz CPJOEOBQMIFGCK-LSDHHAIUSA-N 1 1 257.418 3.083 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CC)C1 ZINC000963345575 613240642 /nfs/dbraw/zinc/24/06/42/613240642.db2.gz HBVCJSSKJCFTRB-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC2(CN(C(=O)CC3(C)CC3)C2)C1 ZINC000981897467 613250530 /nfs/dbraw/zinc/25/05/30/613250530.db2.gz OJWZZKKWOJQRQE-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC1(C)C ZINC000968816579 613251406 /nfs/dbraw/zinc/25/14/06/613251406.db2.gz YMYPDUXWDXLWLQ-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC ZINC000969039422 613251513 /nfs/dbraw/zinc/25/15/13/613251513.db2.gz KZMHZEDQGCMIQH-IXDOHACOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)CC2CCCC2)C1 ZINC000964803248 613264764 /nfs/dbraw/zinc/26/47/64/613264764.db2.gz KXZQTOXFRPZKMJ-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccoc2C)C[C@@H]1C ZINC000947032037 613267445 /nfs/dbraw/zinc/26/74/45/613267445.db2.gz JIQIVNZREGVSAJ-DZGCQCFKSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CC(C)C)CC[C@@H]2C1 ZINC000946454617 613278327 /nfs/dbraw/zinc/27/83/27/613278327.db2.gz PGDLOSBICQHOBY-CALCHBBNSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)C2(CC)CCCCC2)C1 ZINC000980456319 613287794 /nfs/dbraw/zinc/28/77/94/613287794.db2.gz JJCWVITUHHKDDY-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)C(C)(C)C)C1 ZINC000972090179 613288050 /nfs/dbraw/zinc/28/80/50/613288050.db2.gz OPJGOWZWDJLPNY-AWEZNQCLSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)c1coc(C)c1 ZINC000968821829 613307192 /nfs/dbraw/zinc/30/71/92/613307192.db2.gz GGEUPPMVEMBWBS-INIZCTEOSA-N 1 1 290.407 3.139 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@]23C[C@H]2CCC3)CC1 ZINC000948634736 613314162 /nfs/dbraw/zinc/31/41/62/613314162.db2.gz GWNFFTYEKJTWGU-JFIYKMOQSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2CCC2)C1 ZINC000963247835 613314708 /nfs/dbraw/zinc/31/47/08/613314708.db2.gz PPYQMTLRZZSHCO-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C=C(C)C)C1 ZINC000963249007 613315489 /nfs/dbraw/zinc/31/54/89/613315489.db2.gz FWNBUDVMKYKRJS-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2c(C)coc2C)C[C@H]1C ZINC000947272008 613329017 /nfs/dbraw/zinc/32/90/17/613329017.db2.gz QWZGLTISAFSWEY-UKRRQHHQSA-N 1 1 290.407 3.055 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc(C)c2)C1 ZINC000964841307 613334080 /nfs/dbraw/zinc/33/40/80/613334080.db2.gz YWSHTSBBPFYXPD-DOTOQJQBSA-N 1 1 286.419 3.011 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccsc2C)C1 ZINC000966005507 613334123 /nfs/dbraw/zinc/33/41/23/613334123.db2.gz VFAXIXBNSWWRNB-SWLSCSKDSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2(C)CCCC2)C[C@@H]1C ZINC000947583884 613334641 /nfs/dbraw/zinc/33/46/41/613334641.db2.gz ATBHRKGGBBYWKP-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C2CC(C)(C)C2)C(C)(C)C1 ZINC000940724649 613334755 /nfs/dbraw/zinc/33/47/55/613334755.db2.gz NDFNNJKPNZVGRZ-HNNXBMFYSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)CC2CCC2)C1 ZINC000971603263 613367632 /nfs/dbraw/zinc/36/76/32/613367632.db2.gz QFCMNSITEBJQQQ-CQSZACIVSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CC=CCC2)C1 ZINC000972095038 613368533 /nfs/dbraw/zinc/36/85/33/613368533.db2.gz MAKRZEXNQNMPGQ-LSDHHAIUSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CC=CCC2)C1 ZINC000972095038 613368534 /nfs/dbraw/zinc/36/85/34/613368534.db2.gz MAKRZEXNQNMPGQ-LSDHHAIUSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H](C)C2CC2)CC1 ZINC000948274916 613374352 /nfs/dbraw/zinc/37/43/52/613374352.db2.gz ZYXOUBGOSFEGJB-ZFWWWQNUSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)C)C1 ZINC000963255703 613374440 /nfs/dbraw/zinc/37/44/40/613374440.db2.gz ZTMZKBMCTKLXIO-GJZGRUSLSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(C)CCCC2)[C@@H](C)C1 ZINC000942541055 613378383 /nfs/dbraw/zinc/37/83/83/613378383.db2.gz UNXSASDPJIRRSK-JSGCOSHPSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(C)CCCC2)[C@@H](C)C1 ZINC000942541055 613378384 /nfs/dbraw/zinc/37/83/84/613378384.db2.gz UNXSASDPJIRRSK-JSGCOSHPSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccsc2)C[C@H]1C ZINC000947001321 613378861 /nfs/dbraw/zinc/37/88/61/613378861.db2.gz NXYIKMXNOSYGRD-YPMHNXCESA-N 1 1 298.839 3.083 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccsc2)C[C@H]1C ZINC000947001321 613378862 /nfs/dbraw/zinc/37/88/62/613378862.db2.gz NXYIKMXNOSYGRD-YPMHNXCESA-N 1 1 298.839 3.083 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](CCCC)[C@@H](C)C2)C1 ZINC000947702288 613397237 /nfs/dbraw/zinc/39/72/37/613397237.db2.gz LXMDMFKJAXOSFG-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](CC=C(C)C)[C@H](C)C2)C1 ZINC000947702151 613397842 /nfs/dbraw/zinc/39/78/42/613397842.db2.gz KCPSCWBRBPXMES-HZPDHXFCSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CCC(C)C)CC2(C)C)C1 ZINC000975031082 613398690 /nfs/dbraw/zinc/39/86/90/613398690.db2.gz URHWXHHTNQOYLN-OAHLLOKOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CCC(C)C)[C@@H](C)C2)C1 ZINC000947702298 613400958 /nfs/dbraw/zinc/40/09/58/613400958.db2.gz MDELQDXDKZZAAT-HOTGVXAUSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2C[N@H+](CC=C(C)C)CC[C@@H]2C)C1 ZINC000968276148 613401502 /nfs/dbraw/zinc/40/15/02/613401502.db2.gz VDQYGIDAAUVAJS-HOTGVXAUSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CCC)C1 ZINC000963341782 613432129 /nfs/dbraw/zinc/43/21/29/613432129.db2.gz YVYRXSODRLHKNU-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC000950089388 613478612 /nfs/dbraw/zinc/47/86/12/613478612.db2.gz BQGJPBDPLDURQF-HNNXBMFYSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC000969054169 613491004 /nfs/dbraw/zinc/49/10/04/613491004.db2.gz RFBQQIKNVVLFDN-HOTGVXAUSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)[C@H](C)CC2CCCC2)CC1 ZINC000982072295 613495134 /nfs/dbraw/zinc/49/51/34/613495134.db2.gz RZWQCXSKZWQDKK-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)C2(C)CCC2)CC1 ZINC000948680220 613499769 /nfs/dbraw/zinc/49/97/69/613499769.db2.gz DZSFNJHLLABPQX-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC23CCC3)CC1 ZINC000948820616 613500744 /nfs/dbraw/zinc/50/07/44/613500744.db2.gz NMYFOWHADAFEFV-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2sccc2C)C1 ZINC000964682911 613518437 /nfs/dbraw/zinc/51/84/37/613518437.db2.gz GQCLJFKGJMEWRZ-TZMCWYRMSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C2CCC(=C)CC2)C[C@@H]1C ZINC000947684509 613520217 /nfs/dbraw/zinc/52/02/17/613520217.db2.gz IQROVKQPSKPXSR-DOTOQJQBSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)=C2CCCC2)C1 ZINC000965891023 613528704 /nfs/dbraw/zinc/52/87/04/613528704.db2.gz PIXITAARUVSWMA-YOEHRIQHSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC000967493746 613530908 /nfs/dbraw/zinc/53/09/08/613530908.db2.gz GBRONTCQAHOPTN-GOEBONIOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@]2(C)C=CCC2)C(C)(C)C1 ZINC000940959208 613537157 /nfs/dbraw/zinc/53/71/57/613537157.db2.gz LKGBSRBLVLRXRV-MAUKXSAKSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975024928 613544577 /nfs/dbraw/zinc/54/45/77/613544577.db2.gz HPPKXFLYQBAWFF-HUUCEWRRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)c2cc(C)ccc2C2CC2)C1 ZINC000972005521 613635853 /nfs/dbraw/zinc/63/58/53/613635853.db2.gz MPKGRJSSZXURLG-INIZCTEOSA-N 1 1 298.430 3.205 20 30 CGEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)CC3(C)CCCC3)C2)C1 ZINC000981749000 613677507 /nfs/dbraw/zinc/67/75/07/613677507.db2.gz PQUJUFIMXDNGDP-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)C2=CCCCCC2)CC1 ZINC000948326830 613700295 /nfs/dbraw/zinc/70/02/95/613700295.db2.gz GVYLPHSWKVLFCT-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccsc2C)CC1 ZINC000948354769 613702458 /nfs/dbraw/zinc/70/24/58/613702458.db2.gz VRNZLHSFKOIBLY-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC2CCC2)C1 ZINC000963276620 613706239 /nfs/dbraw/zinc/70/62/39/613706239.db2.gz SQDRFYOVFXDQIB-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000963246672 613706396 /nfs/dbraw/zinc/70/63/96/613706396.db2.gz JFGHLEXRGJVRCK-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2sccc2Cl)C1 ZINC000966262465 613737255 /nfs/dbraw/zinc/73/72/55/613737255.db2.gz KLPKJTODQUGCRS-ZYHUDNBSSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2sccc2Cl)C1 ZINC000966262465 613737256 /nfs/dbraw/zinc/73/72/56/613737256.db2.gz KLPKJTODQUGCRS-ZYHUDNBSSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC000968566781 613767808 /nfs/dbraw/zinc/76/78/08/613767808.db2.gz XXBLOYFEERVWRB-QAETUUGQSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2(C)CCCCCC2)C1 ZINC000966752985 613772048 /nfs/dbraw/zinc/77/20/48/613772048.db2.gz NPVMHXKCXMSALW-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)CC2=CCCCC2)C[C@H]1C ZINC000947144738 613780989 /nfs/dbraw/zinc/78/09/89/613780989.db2.gz UTXQTUCKLBEPDO-ZBFHGGJFSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2c(C)cccc2C)C[C@H]1C ZINC000947730637 613785602 /nfs/dbraw/zinc/78/56/02/613785602.db2.gz DVGFVMPPIZYZMI-CVEARBPZSA-N 1 1 286.419 3.072 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccoc2C(C)C)[C@@H](C)C1 ZINC000945332705 613794301 /nfs/dbraw/zinc/79/43/01/613794301.db2.gz FVMRBIMTBANUES-ZFWWWQNUSA-N 1 1 290.407 3.029 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@]2(C)CC=C(C)CC2)C(C)(C)C1 ZINC000977635196 613809477 /nfs/dbraw/zinc/80/94/77/613809477.db2.gz ZKLHIEAAJJJQQY-CRAIPNDOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cscc2Cl)C(C)(C)C1 ZINC000974687410 613812559 /nfs/dbraw/zinc/81/25/59/613812559.db2.gz QHBBDGIBMYUCTA-GFCCVEGCSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(CC)CC)C[C@@]2(C)C1 ZINC000982817581 613821858 /nfs/dbraw/zinc/82/18/58/613821858.db2.gz RKUMGNOZPNKDLQ-HDICACEKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cccc(C)c3)C[C@@H]2C1 ZINC000979482239 613834288 /nfs/dbraw/zinc/83/42/88/613834288.db2.gz VUSHNODQUCIEMV-RCCFBDPRSA-N 1 1 298.430 3.011 20 30 CGEDMO CCCCCCCC(=O)NC[C@@H]1CCC[N@H+]1CCC ZINC000804777596 617837986 /nfs/dbraw/zinc/83/79/86/617837986.db2.gz BBUJFVYFPOEZOY-HNNXBMFYSA-N 1 1 268.445 3.338 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CCC2)C1 ZINC001021493308 618011644 /nfs/dbraw/zinc/01/16/44/618011644.db2.gz QWVCIBNJFWEMFH-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CCC2)C1 ZINC001021493310 618012252 /nfs/dbraw/zinc/01/22/52/618012252.db2.gz QWVCIBNJFWEMFH-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000077211095 618152376 /nfs/dbraw/zinc/15/23/76/618152376.db2.gz NJFIVAKPQBNLLX-UHFFFAOYSA-N 1 1 290.366 3.202 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCOC[C@H]1CC1CC1 ZINC000933210778 618167772 /nfs/dbraw/zinc/16/77/72/618167772.db2.gz VVPHSHPSKLRZJY-QGZVFWFLSA-N 1 1 298.430 3.489 20 30 CGEDMO C#CCC1([NH2+][C@H](C)c2nc(-c3ccccc3)no2)CCC1 ZINC000933301962 618197567 /nfs/dbraw/zinc/19/75/67/618197567.db2.gz COUIIXMKVXGXDT-CYBMUJFWSA-N 1 1 281.359 3.333 20 30 CGEDMO C[N@@H+](CCOCC1CCCC1)Cc1cc(C#N)cs1 ZINC000933769977 618322410 /nfs/dbraw/zinc/32/24/10/618322410.db2.gz DTZZDFCDWWHAJV-UHFFFAOYSA-N 1 1 278.421 3.258 20 30 CGEDMO CO[C@H]1CC[C@@H]1[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000934105867 618465616 /nfs/dbraw/zinc/46/56/16/618465616.db2.gz QLEVGCLEBYNXFC-GJZGRUSLSA-N 1 1 297.320 3.166 20 30 CGEDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1csc(C#N)c1 ZINC000892019072 618491174 /nfs/dbraw/zinc/49/11/74/618491174.db2.gz NTQSTCCTRQRSRP-GFCCVEGCSA-N 1 1 286.400 3.388 20 30 CGEDMO N#Cc1cc(C[N@H+](CCO)[C@@H]2CCc3ccccc32)cs1 ZINC000892042382 618501095 /nfs/dbraw/zinc/50/10/95/618501095.db2.gz OTGGQMMWHXFOSR-QGZVFWFLSA-N 1 1 298.411 3.102 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1CCC(C)(C)CC(=O)OCC ZINC000934462913 618624377 /nfs/dbraw/zinc/62/43/77/618624377.db2.gz DWMHYLQVRLFKDH-ZDUSSCGKSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1coc(-c2ccccc2)n1 ZINC000934472050 618627466 /nfs/dbraw/zinc/62/74/66/618627466.db2.gz NWXDFXQFUNKKIG-HNNXBMFYSA-N 1 1 254.333 3.492 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1coc(-c2ccccc2)n1 ZINC000934472050 618627471 /nfs/dbraw/zinc/62/74/71/618627471.db2.gz NWXDFXQFUNKKIG-HNNXBMFYSA-N 1 1 254.333 3.492 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1CCCc1nc(-c2ccccc2)no1 ZINC000934470345 618627750 /nfs/dbraw/zinc/62/77/50/618627750.db2.gz CEXSONOKOLNOAC-HNNXBMFYSA-N 1 1 283.375 3.320 20 30 CGEDMO CCOc1ccc(CC[N@@H+](C)[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000934718733 618674339 /nfs/dbraw/zinc/67/43/39/618674339.db2.gz BLCQTOSABJKLHQ-JKSUJKDBSA-N 1 1 272.392 3.252 20 30 CGEDMO CCc1nc(C)c(C[NH2+][C@H](CC)c2cccc(C#N)c2O)o1 ZINC000926476625 618703477 /nfs/dbraw/zinc/70/34/77/618703477.db2.gz BCWLKCXDYUCLCK-CQSZACIVSA-N 1 1 299.374 3.364 20 30 CGEDMO C=C[C@H](C)OC(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC000781578370 618714453 /nfs/dbraw/zinc/71/44/53/618714453.db2.gz ATQYRWINBLYZIW-ZFWWWQNUSA-N 1 1 261.365 3.187 20 30 CGEDMO Cc1cc(C#N)nc(N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c1 ZINC000893009031 618976566 /nfs/dbraw/zinc/97/65/66/618976566.db2.gz OTJQYOQUNRDOMU-WMZOPIPTSA-N 1 1 292.386 3.119 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1ccc2cc(OC)ccc2c1 ZINC000775183134 619004060 /nfs/dbraw/zinc/00/40/60/619004060.db2.gz JAWGVQRPPXWJDS-ZDUSSCGKSA-N 1 1 253.345 3.302 20 30 CGEDMO CC1(C)C[N@@H+](CC2CCC(C#N)CC2)[C@@H]1[C@H]1CCCO1 ZINC000930506938 619007983 /nfs/dbraw/zinc/00/79/83/619007983.db2.gz AAUBXAYKOFSMNK-QDIHITRGSA-N 1 1 276.424 3.206 20 30 CGEDMO CC1(C)C[C@H](O)CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000930649772 619045953 /nfs/dbraw/zinc/04/59/53/619045953.db2.gz DNFSKOKSZJSZGA-OAHLLOKOSA-N 1 1 278.440 3.333 20 30 CGEDMO CC(C)O[C@@H]1CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000930810979 619077975 /nfs/dbraw/zinc/07/79/75/619077975.db2.gz KCBTYKKMBFIPIS-OAHLLOKOSA-N 1 1 264.413 3.350 20 30 CGEDMO N#CC1(CCCC[N@@H+]2CCC[C@@](O)(C3CC3)C2)CCC1 ZINC000930997201 619097630 /nfs/dbraw/zinc/09/76/30/619097630.db2.gz DXHPPFGBCJZLCM-KRWDZBQOSA-N 1 1 276.424 3.087 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cnc(F)c(C)c1 ZINC000893423351 619171677 /nfs/dbraw/zinc/17/16/77/619171677.db2.gz ZYONEOURGHWOSB-UHFFFAOYSA-N 1 1 274.339 3.353 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@@H]2CSC)cc1 ZINC000093761247 619214544 /nfs/dbraw/zinc/21/45/44/619214544.db2.gz TZMVLAPCRBGMIU-OAHLLOKOSA-N 1 1 275.417 3.026 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCSC[C@@H](C)C2)cc1 ZINC000249004751 619227906 /nfs/dbraw/zinc/22/79/06/619227906.db2.gz IWOWHKHVBIMUQL-UONOGXRCSA-N 1 1 290.432 3.162 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000894092170 619369921 /nfs/dbraw/zinc/36/99/21/619369921.db2.gz YRRCQTXWAHTLNA-QLFBSQMISA-N 1 1 294.439 3.330 20 30 CGEDMO C[N@@H+](CCCOc1ccc(C#N)cc1)Cc1ccccc1 ZINC000034674011 619373100 /nfs/dbraw/zinc/37/31/00/619373100.db2.gz DHRSGSCUIOZHBT-UHFFFAOYSA-N 1 1 280.371 3.459 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCC1=NOCC1CC1 ZINC000814244034 619418560 /nfs/dbraw/zinc/41/85/60/619418560.db2.gz BTFKPLZZKNZWLO-AWEZNQCLSA-N 1 1 272.392 3.311 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1cn(CC)nc1-c1ccccc1 ZINC000894574678 619579623 /nfs/dbraw/zinc/57/96/23/619579623.db2.gz XOROIXBOGBXLKX-CQSZACIVSA-N 1 1 267.376 3.024 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000310856367 619679826 /nfs/dbraw/zinc/67/98/26/619679826.db2.gz NDKHGGBQHBTKCV-LBPRGKRZSA-N 1 1 267.335 3.346 20 30 CGEDMO C=CCc1cc(C[N@@H+]2CC[C@H]2CC)c(O)c(OC)c1 ZINC000793820841 619735689 /nfs/dbraw/zinc/73/56/89/619735689.db2.gz MYDAYUUBAGTFJE-CQSZACIVSA-N 1 1 261.365 3.114 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000895388208 619819327 /nfs/dbraw/zinc/81/93/27/619819327.db2.gz HVWABELJNFYELO-JTQLQIEISA-N 1 1 253.292 3.068 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000895388208 619819329 /nfs/dbraw/zinc/81/93/29/619819329.db2.gz HVWABELJNFYELO-JTQLQIEISA-N 1 1 253.292 3.068 20 30 CGEDMO C#CC[N@H+]1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000093259472 619861542 /nfs/dbraw/zinc/86/15/42/619861542.db2.gz MWHLEGOOKWQLKX-UHFFFAOYSA-N 1 1 274.414 3.171 20 30 CGEDMO C#CC[N@@H+]1CCc2sc(-c3csc(C)n3)cc2C1 ZINC000093259472 619861543 /nfs/dbraw/zinc/86/15/43/619861543.db2.gz MWHLEGOOKWQLKX-UHFFFAOYSA-N 1 1 274.414 3.171 20 30 CGEDMO C[C@H]1C[C@@H](Nc2ccc(C3CC3)c(C#N)c2)CC[N@H+]1C ZINC000895639648 619862824 /nfs/dbraw/zinc/86/28/24/619862824.db2.gz OECZIJYDYSBYGT-LRDDRELGSA-N 1 1 269.392 3.330 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000895780175 619886762 /nfs/dbraw/zinc/88/67/62/619886762.db2.gz DSTYQWWSMCPZOE-GASCZTMLSA-N 1 1 275.417 3.046 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895846612 619896297 /nfs/dbraw/zinc/89/62/97/619896297.db2.gz REGLVYVUOUPHIS-WMZOPIPTSA-N 1 1 287.403 3.252 20 30 CGEDMO CC(C)c1[nH+]ccn1CCNc1ccc(Cl)c(C#N)n1 ZINC000895988726 619921971 /nfs/dbraw/zinc/92/19/71/619921971.db2.gz WARTVTDIVWVWKK-UHFFFAOYSA-N 1 1 289.770 3.039 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)c2ccccc2C)CC1 ZINC000985229720 620140566 /nfs/dbraw/zinc/14/05/66/620140566.db2.gz XOMLPMLKZSCQOE-UHFFFAOYSA-N 1 1 286.419 3.108 20 30 CGEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)C2CCCCC2)CC1 ZINC000985226051 620141488 /nfs/dbraw/zinc/14/14/88/620141488.db2.gz SDKGLSIXZPPOTP-UHFFFAOYSA-N 1 1 298.858 3.242 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000897269762 620175608 /nfs/dbraw/zinc/17/56/08/620175608.db2.gz OXILIQMLPUXOJE-MRXNPFEDSA-N 1 1 278.440 3.455 20 30 CGEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)CCC2CCC2)CC1 ZINC000985363926 620176915 /nfs/dbraw/zinc/17/69/15/620176915.db2.gz ZQUSDPFYEJQLQV-UHFFFAOYSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)C2CC(C)(C)C2)CC1 ZINC000985411209 620181287 /nfs/dbraw/zinc/18/12/87/620181287.db2.gz KEPNEOCORZOXNV-UHFFFAOYSA-N 1 1 298.858 3.098 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)CC2(C)CCCC2)CC1 ZINC000985413807 620182139 /nfs/dbraw/zinc/18/21/39/620182139.db2.gz PYUQPAKQFMIFRV-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CCC([N@H+](C)CCC)CC1 ZINC000985447724 620190512 /nfs/dbraw/zinc/19/05/12/620190512.db2.gz SMRYQXSRMTVVRL-UHFFFAOYSA-N 1 1 286.847 3.098 20 30 CGEDMO C[C@@H]([NH2+]Cc1nc2ccccc2[nH]1)c1cccc(C#N)c1 ZINC000054375707 620278580 /nfs/dbraw/zinc/27/85/80/620278580.db2.gz XRLWPEJDFHIKAZ-GFCCVEGCSA-N 1 1 276.343 3.285 20 30 CGEDMO C=CCC[N@@H+](C)CN1C(=O)C[C@@H]1c1ccc(Cl)cc1 ZINC000786102028 620394570 /nfs/dbraw/zinc/39/45/70/620394570.db2.gz LDSRBKKCIIWNBH-CQSZACIVSA-N 1 1 278.783 3.079 20 30 CGEDMO C=CCC[N@H+](C)CN1C(=O)C[C@@H]1c1ccc(Cl)cc1 ZINC000786102028 620394571 /nfs/dbraw/zinc/39/45/71/620394571.db2.gz LDSRBKKCIIWNBH-CQSZACIVSA-N 1 1 278.783 3.079 20 30 CGEDMO O=C1C=COC2(CC[NH+](Cc3cscc3Cl)CC2)C1 ZINC000897602447 620407107 /nfs/dbraw/zinc/40/71/07/620407107.db2.gz PJBPXQJIASUSBW-UHFFFAOYSA-N 1 1 297.807 3.239 20 30 CGEDMO CC[C@@H](C)[C@H](C[N@@H+](C)Cc1cc(C#N)cs1)OC ZINC000897624300 620410985 /nfs/dbraw/zinc/41/09/85/620410985.db2.gz HNZNYBCQOXYZQB-RISCZKNCSA-N 1 1 266.410 3.113 20 30 CGEDMO CCCCCCCC[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000897969080 620459499 /nfs/dbraw/zinc/45/94/99/620459499.db2.gz DIISXRPQMLCZCV-OOKSDGMUSA-N 1 1 296.499 3.313 20 30 CGEDMO C=C(C)c1cccc(NCc2c[nH+]c3n2CCC3)c1 ZINC000898310498 620510814 /nfs/dbraw/zinc/51/08/14/620510814.db2.gz WFUSQBDSSOKWOL-UHFFFAOYSA-N 1 1 253.349 3.475 20 30 CGEDMO C=CC[N@H+]1CCCN(C(=O)[C@H](F)CC2CCCCC2)CC1 ZINC000989488030 620514693 /nfs/dbraw/zinc/51/46/93/620514693.db2.gz LIZXLKLPWHXKIO-MRXNPFEDSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)[C@H](F)CC2CCCCC2)CC1 ZINC000989488030 620514695 /nfs/dbraw/zinc/51/46/95/620514695.db2.gz LIZXLKLPWHXKIO-MRXNPFEDSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)[C@@]2(C)CC=C(C)CC2)CC1 ZINC000989717292 620522377 /nfs/dbraw/zinc/52/23/77/620522377.db2.gz AVYQZMUOWQCDCN-SFHVURJKSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)C[C@@H]2CCCC[C@@H]2C)CC1 ZINC000989773153 620525002 /nfs/dbraw/zinc/52/50/02/620525002.db2.gz NATJUISEPKLPLM-IRXDYDNUSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)C=C3CCC3)CCC[C@H]12 ZINC000990194111 620538289 /nfs/dbraw/zinc/53/82/89/620538289.db2.gz PHQBBHUJRAAOEG-FUHWJXTLSA-N 1 1 288.435 3.176 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)cs1 ZINC000898513388 620594481 /nfs/dbraw/zinc/59/44/81/620594481.db2.gz SSAFKBUCVIYGBP-HUUCEWRRSA-N 1 1 290.432 3.258 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCCC[C@H]([C@H]3CCOC3)C2)cs1 ZINC000898513387 620594585 /nfs/dbraw/zinc/59/45/85/620594585.db2.gz SSAFKBUCVIYGBP-GJZGRUSLSA-N 1 1 290.432 3.258 20 30 CGEDMO CC1(C)C[NH2+]CC[C@H](NCc2ccc(C#N)c(Cl)c2)C1 ZINC000902385455 621300559 /nfs/dbraw/zinc/30/05/59/621300559.db2.gz VLMJSEKXFPOROA-AWEZNQCLSA-N 1 1 291.826 3.079 20 30 CGEDMO CC[C@H](N[C@@H]1CC[N@H+](CC2CC2)C1)c1cccc(C#N)c1 ZINC000902797763 621453261 /nfs/dbraw/zinc/45/32/61/621453261.db2.gz YRCPUUFBMGURBB-MSOLQXFVSA-N 1 1 283.419 3.083 20 30 CGEDMO CC[C@H](N[C@@H]1CC[N@@H+](CC2CC2)C1)c1cccc(C#N)c1 ZINC000902797763 621453276 /nfs/dbraw/zinc/45/32/76/621453276.db2.gz YRCPUUFBMGURBB-MSOLQXFVSA-N 1 1 283.419 3.083 20 30 CGEDMO CCc1nnc([C@@H](C)[NH2+][C@H](CC)c2cccc(C#N)c2)[nH]1 ZINC000902889727 621487534 /nfs/dbraw/zinc/48/75/34/621487534.db2.gz PXHCCPYLTUPBJT-BXUZGUMPSA-N 1 1 283.379 3.041 20 30 CGEDMO Cc1nc2c(s1)[C@@H]([NH2+]CC1(C#N)CCC1)CCC2 ZINC000903030435 621535180 /nfs/dbraw/zinc/53/51/80/621535180.db2.gz BEMOZMQREPMEFH-NSHDSACASA-N 1 1 261.394 3.112 20 30 CGEDMO CC[C@@H]([NH2+][C@H](c1nncn1C)C(C)C)c1cccc(C#N)c1 ZINC000903063146 621551832 /nfs/dbraw/zinc/55/18/32/621551832.db2.gz BUGKDQSNSJRAMU-CVEARBPZSA-N 1 1 297.406 3.125 20 30 CGEDMO CCOc1ccc([C@H](C)[NH2+]CC(C)(C)C#N)cc1[N+](=O)[O-] ZINC000903099964 621573080 /nfs/dbraw/zinc/57/30/80/621573080.db2.gz DPCGMUHIVKTDFJ-NSHDSACASA-N 1 1 291.351 3.194 20 30 CGEDMO C[C@@H]([NH2+][C@H](c1ncccn1)C1CC1)c1ccc(C#N)cc1 ZINC000903324895 621678791 /nfs/dbraw/zinc/67/87/91/621678791.db2.gz FSHHQZVNYLTETG-WBMJQRKESA-N 1 1 278.359 3.150 20 30 CGEDMO C=CCC[C@@H](C)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000903381279 621723192 /nfs/dbraw/zinc/72/31/92/621723192.db2.gz UTZIWUKAQMTVMK-GDBMZVCRSA-N 1 1 261.413 3.019 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(-c2sccc2C)no1 ZINC000904720401 621956925 /nfs/dbraw/zinc/95/69/25/621956925.db2.gz DCSDRHYKEVUMGB-JTQLQIEISA-N 1 1 263.366 3.463 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(CCCSCC)no1 ZINC000904701350 621959299 /nfs/dbraw/zinc/95/92/99/621959299.db2.gz QXXSOXXSIIPHJJ-LLVKDONJSA-N 1 1 269.414 3.111 20 30 CGEDMO C=CCC(C)(C)c1noc([C@@H]([NH3+])C[C@H](C)CC)n1 ZINC000904725583 621959729 /nfs/dbraw/zinc/95/97/29/621959729.db2.gz ZRZGRQDSRDELEY-MNOVXSKESA-N 1 1 251.374 3.359 20 30 CGEDMO CCSc1ccc(C[NH2+]C[C@H](C#N)CCC#N)cc1 ZINC000905776514 622103878 /nfs/dbraw/zinc/10/38/78/622103878.db2.gz FBUIYIRWXNRJDT-AWEZNQCLSA-N 1 1 273.405 3.332 20 30 CGEDMO C#CC[N@@H+](CC(=O)Nc1cc(C)ccc1C)C1CCCC1 ZINC000155757693 622479264 /nfs/dbraw/zinc/47/92/64/622479264.db2.gz HXILYIYWRVJRMD-UHFFFAOYSA-N 1 1 284.403 3.120 20 30 CGEDMO C#CC[N@H+](CC(=O)Nc1cc(C)ccc1C)C1CCCC1 ZINC000155757693 622479267 /nfs/dbraw/zinc/47/92/67/622479267.db2.gz HXILYIYWRVJRMD-UHFFFAOYSA-N 1 1 284.403 3.120 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)C[C@@H]3C=CCCC3)CCC[C@H]12 ZINC000991333736 622537454 /nfs/dbraw/zinc/53/74/54/622537454.db2.gz SAPWJPYQGTUZEM-SOLBZPMBSA-N 1 1 288.435 3.032 20 30 CGEDMO C=C(Br)C[N@H+]1CC[C@H](c2ccc(OC)cc2)C1 ZINC000157739633 622941872 /nfs/dbraw/zinc/94/18/72/622941872.db2.gz DKTBPOPNAKWFHQ-ZDUSSCGKSA-N 1 1 296.208 3.393 20 30 CGEDMO C=C(Br)C[N@@H+]1CC[C@H](c2ccc(OC)cc2)C1 ZINC000157739633 622941876 /nfs/dbraw/zinc/94/18/76/622941876.db2.gz DKTBPOPNAKWFHQ-ZDUSSCGKSA-N 1 1 296.208 3.393 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc2c(cc1O)CCC2 ZINC000046477056 622974497 /nfs/dbraw/zinc/97/44/97/622974497.db2.gz PEWWRPCLKHJQRM-UHFFFAOYSA-N 1 1 292.382 3.385 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC2(CCCC2)C1 ZINC000174260827 623379133 /nfs/dbraw/zinc/37/91/33/623379133.db2.gz ZCTFXCMWAAEKRD-UHFFFAOYSA-N 1 1 258.340 3.463 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(C=C)cc3)CCC[C@H]12 ZINC000992288993 623503752 /nfs/dbraw/zinc/50/37/52/623503752.db2.gz URLJXKMAMOYUDI-HKUYNNGSSA-N 1 1 296.414 3.242 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H](C)C3CCCC3)CCC[C@H]12 ZINC000992409782 623544148 /nfs/dbraw/zinc/54/41/48/623544148.db2.gz ULGNERYXQVMXAK-QILLFSRXSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)c3ccc(C)cc3)CCC[C@H]12 ZINC000992417549 623551230 /nfs/dbraw/zinc/55/12/30/623551230.db2.gz ABZCPJKKAJWDIN-HKUYNNGSSA-N 1 1 298.430 3.298 20 30 CGEDMO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1cncc(C#N)c1 ZINC000929766300 623611660 /nfs/dbraw/zinc/61/16/60/623611660.db2.gz KXZWWKCTODWUGJ-QGZVFWFLSA-N 1 1 280.375 3.019 20 30 CGEDMO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1cncc(C#N)c1 ZINC000929766300 623611666 /nfs/dbraw/zinc/61/16/66/623611666.db2.gz KXZWWKCTODWUGJ-QGZVFWFLSA-N 1 1 280.375 3.019 20 30 CGEDMO C[C@@H]1CC(N=Nc2ccc(Cl)cc2)C[N@H+]1C1CC1 ZINC000753965759 623742913 /nfs/dbraw/zinc/74/29/13/623742913.db2.gz HDKLRBCZWXOHTK-SNVBAGLBSA-N 1 1 263.772 3.365 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C2CCCCC2)[C@@H]1C ZINC000992987749 623769523 /nfs/dbraw/zinc/76/95/23/623769523.db2.gz REXBPBHQYCDFII-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccoc2C)[C@@H]1C ZINC000993031984 623798490 /nfs/dbraw/zinc/79/84/90/623798490.db2.gz HDWFZRFFVKCNGL-XJKSGUPXSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C(C)=C2CCCC2)[C@@H]1C ZINC000993196464 623941193 /nfs/dbraw/zinc/94/11/93/623941193.db2.gz INLQXODTBHEABC-RDJZCZTQSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C(F)=C2CCCC2)[C@@H]1C ZINC000993232385 623992885 /nfs/dbraw/zinc/99/28/85/623992885.db2.gz MRDMIGGNVJHDNJ-ZFWWWQNUSA-N 1 1 294.414 3.329 20 30 CGEDMO CCCCCCCC(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000915627163 624016292 /nfs/dbraw/zinc/01/62/92/624016292.db2.gz FUQZUAZPRFTXPW-OAHLLOKOSA-N 1 1 268.445 3.195 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2C(C)C)[C@@H]1C ZINC000993408833 624042775 /nfs/dbraw/zinc/04/27/75/624042775.db2.gz FESQIJXXUWTLQL-YJBOKZPZSA-N 1 1 298.430 3.026 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC)o2)[C@H]1C ZINC000993500344 624051876 /nfs/dbraw/zinc/05/18/76/624051876.db2.gz SIQHSPBNUXBVML-UKRRQHHQSA-N 1 1 290.407 3.001 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C2(C3CC3)CCC2)[C@H]1C ZINC000993651942 624055786 /nfs/dbraw/zinc/05/57/86/624055786.db2.gz AMVJSBOQOIOSMN-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)CC2CC(C)(C)C2)[C@@H]1C ZINC000993747587 624060385 /nfs/dbraw/zinc/06/03/85/624060385.db2.gz RQWNRKJOEWPYAO-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C2CCC=CCC2)[C@H]1C ZINC000994457665 624230565 /nfs/dbraw/zinc/23/05/65/624230565.db2.gz YMOBKPBVJJUJEU-NVXWUHKLSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC[N@@H+](CC(=O)N[C@H](C)c1ccc(C)c(C)c1)C(C)C ZINC000917071552 624234392 /nfs/dbraw/zinc/23/43/92/624234392.db2.gz VOYWROJNDVTFIS-MRXNPFEDSA-N 1 1 288.435 3.377 20 30 CGEDMO CCCCC(N)=[NH+]OCc1ncc(-c2cccc(F)c2)o1 ZINC000154515877 624310111 /nfs/dbraw/zinc/31/01/11/624310111.db2.gz QPXNLEOAHNGUGY-UHFFFAOYSA-N 1 1 291.326 3.460 20 30 CGEDMO N#Cc1cc(Cl)cc(Cn2c[nH+]c3c2CCCC3)c1 ZINC000917785211 624311077 /nfs/dbraw/zinc/31/10/77/624311077.db2.gz VIXWCQACPZWIRG-UHFFFAOYSA-N 1 1 271.751 3.335 20 30 CGEDMO C#CCCC[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000766895479 624381858 /nfs/dbraw/zinc/38/18/58/624381858.db2.gz NJVIILADIQNPCC-UHFFFAOYSA-N 1 1 256.393 3.130 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC2(C)C)CC1 ZINC000997963647 625777578 /nfs/dbraw/zinc/77/75/78/625777578.db2.gz BHMIFBZOCFACJX-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CCC2(C)C)CC1 ZINC000998095665 625788579 /nfs/dbraw/zinc/78/85/79/625788579.db2.gz STNRRTBWQORDJR-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@H]2CC)CC1 ZINC001001117044 625890951 /nfs/dbraw/zinc/89/09/51/625890951.db2.gz SZVJWBMSELGNMT-IAGOWNOFSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCCC[C@H]2CC)CC1 ZINC001001325969 625895366 /nfs/dbraw/zinc/89/53/66/625895366.db2.gz LJPIGUJWGHHXKP-SJORKVTESA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2CC[C@@H](C)C2)CC1 ZINC001001907573 625905135 /nfs/dbraw/zinc/90/51/35/625905135.db2.gz HLKZTRXCDPERFD-IUODEOHRSA-N 1 1 298.858 3.003 20 30 CGEDMO C[C@H]([NH2+]Cc1cccc2c1OCC2)c1ccc(C#N)cc1F ZINC000921989557 625953759 /nfs/dbraw/zinc/95/37/59/625953759.db2.gz FWHCMXWIVXXBBB-LBPRGKRZSA-N 1 1 296.345 3.483 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc([C@@H](C)CC)cc2)C1 ZINC001016346923 625968987 /nfs/dbraw/zinc/96/89/87/625968987.db2.gz XMTUTDCKFLYMGC-WMLDXEAASA-N 1 1 286.419 3.190 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC(C)C)CC1 ZINC001004320778 626037549 /nfs/dbraw/zinc/03/75/49/626037549.db2.gz LIAOXRCJVKRMPS-KRWDZBQOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C)CC)CC1 ZINC001004334676 626040072 /nfs/dbraw/zinc/04/00/72/626040072.db2.gz AKCBXEOZYKRBLY-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C)C(C)C)CC1 ZINC001004570498 626065580 /nfs/dbraw/zinc/06/55/80/626065580.db2.gz TZBOZBHEGMHDNP-NVXWUHKLSA-N 1 1 292.467 3.168 20 30 CGEDMO C[C@]1([NH2+]Cc2ccc(C#N)cc2F)CCOc2ccccc21 ZINC000923023853 626120130 /nfs/dbraw/zinc/12/01/30/626120130.db2.gz DRDGEWJJXLAQHW-SFHVURJKSA-N 1 1 296.345 3.485 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@@]2(C)CC)CC1 ZINC001006227431 626172837 /nfs/dbraw/zinc/17/28/37/626172837.db2.gz SQVDUIPTUAXAHO-GOEBONIOSA-N 1 1 298.858 3.098 20 30 CGEDMO Cc1ccc(C[NH+]2CCC(CC#N)CC2)c(Cl)n1 ZINC000838926799 626283362 /nfs/dbraw/zinc/28/33/62/626283362.db2.gz JQJDTKYBEIYDFT-UHFFFAOYSA-N 1 1 263.772 3.169 20 30 CGEDMO C#CCCC[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000839149905 626317504 /nfs/dbraw/zinc/31/75/04/626317504.db2.gz UADZPQHEUYXXBQ-ZDUSSCGKSA-N 1 1 289.341 3.081 20 30 CGEDMO COc1ccc2ccc(O)c(C[N@@H+](C)[C@H](C)CC#N)c2c1 ZINC000103460898 626354022 /nfs/dbraw/zinc/35/40/22/626354022.db2.gz USWCSGLNDKDLIC-GFCCVEGCSA-N 1 1 284.359 3.288 20 30 CGEDMO C[N@@H+](CCC1(C#N)CCCCC1)Cc1cccc(C(N)=O)c1 ZINC000839469932 626354395 /nfs/dbraw/zinc/35/43/95/626354395.db2.gz DTKASXUTOKSTAC-UHFFFAOYSA-N 1 1 299.418 3.081 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC[C@]3(CCCOC3)C2)cc1 ZINC000809580793 626415737 /nfs/dbraw/zinc/41/57/37/626415737.db2.gz FJGOIOGAFWKJDQ-SFHVURJKSA-N 1 1 269.388 3.061 20 30 CGEDMO C[C@H]1C[N@H+](C2CC2)CC1N=Nc1ccccc1Cl ZINC000755870887 626655432 /nfs/dbraw/zinc/65/54/32/626655432.db2.gz AJXQPVHMMCUUJJ-JTQLQIEISA-N 1 1 263.772 3.222 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1cc(F)cc(F)c1O ZINC000756418137 626704226 /nfs/dbraw/zinc/70/42/26/626704226.db2.gz PGOPJACXYXJCRD-JTQLQIEISA-N 1 1 288.297 3.393 20 30 CGEDMO C#CC[N@H+](Cc1ccn(-c2ccccc2)n1)C1CCCC1 ZINC000756911449 626740881 /nfs/dbraw/zinc/74/08/81/626740881.db2.gz IUJAQPAEJQHEKO-UHFFFAOYSA-N 1 1 279.387 3.250 20 30 CGEDMO C#CC[N@@H+](Cc1ccn(-c2ccccc2)n1)C1CCCC1 ZINC000756911449 626740884 /nfs/dbraw/zinc/74/08/84/626740884.db2.gz IUJAQPAEJQHEKO-UHFFFAOYSA-N 1 1 279.387 3.250 20 30 CGEDMO C#CC[C@H]([NH2+]Cc1ccc2nc[nH]c2c1)c1ccccc1 ZINC000756996227 626746095 /nfs/dbraw/zinc/74/60/95/626746095.db2.gz PCRNLPWSNMTEKW-INIZCTEOSA-N 1 1 275.355 3.417 20 30 CGEDMO C=CC[N@@H+](C)Cc1cccc(C(=O)C(F)(F)F)c1 ZINC000839563664 626763525 /nfs/dbraw/zinc/76/35/25/626763525.db2.gz IPYZYULPKFRFFV-UHFFFAOYSA-N 1 1 257.255 3.049 20 30 CGEDMO C=CC[N@H+](C)Cc1cccc(C(=O)C(F)(F)F)c1 ZINC000839563664 626763527 /nfs/dbraw/zinc/76/35/27/626763527.db2.gz IPYZYULPKFRFFV-UHFFFAOYSA-N 1 1 257.255 3.049 20 30 CGEDMO C#CCCC[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000839652846 626770147 /nfs/dbraw/zinc/77/01/47/626770147.db2.gz RDXXCNVYUOXVNH-KRWDZBQOSA-N 1 1 269.388 3.254 20 30 CGEDMO CCN(C)c1ccc(C(C)=[NH+]OCC(F)F)cc1 ZINC000758904156 626864978 /nfs/dbraw/zinc/86/49/78/626864978.db2.gz RPTSRSZDFYJPGW-UHFFFAOYSA-N 1 1 256.296 3.148 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC=C(c2ccc(C)cc2)CC1 ZINC000760808001 626993282 /nfs/dbraw/zinc/99/32/82/626993282.db2.gz XRHFCBBSENMFSP-SFHVURJKSA-N 1 1 271.404 3.411 20 30 CGEDMO C#CCC[N@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000760856261 626997152 /nfs/dbraw/zinc/99/71/52/626997152.db2.gz XODMJNMQJZFKMU-HNNXBMFYSA-N 1 1 252.361 3.371 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000760888214 627000062 /nfs/dbraw/zinc/00/00/62/627000062.db2.gz SGCZEDZPEOQOHF-AWEZNQCLSA-N 1 1 277.795 3.454 20 30 CGEDMO C=CC[N@@H+](C)CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000121416685 634542166 /nfs/dbraw/zinc/54/21/66/634542166.db2.gz YCUXWLDUDGXKRB-UHFFFAOYSA-N 1 1 260.381 3.040 20 30 CGEDMO C=CC[N@H+](C)CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000121416685 634542170 /nfs/dbraw/zinc/54/21/70/634542170.db2.gz YCUXWLDUDGXKRB-UHFFFAOYSA-N 1 1 260.381 3.040 20 30 CGEDMO CC[N@@H+](C[C@@H]1CC2(CC2)C(=O)O1)[C@@H](C)c1ccc(C#N)cc1 ZINC000763672255 627172967 /nfs/dbraw/zinc/17/29/67/627172967.db2.gz NZQBHBQCAHJNJT-BBRMVZONSA-N 1 1 298.386 3.037 20 30 CGEDMO CCCCCCCC(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000765193209 627242333 /nfs/dbraw/zinc/24/23/33/627242333.db2.gz MGRUJOJZFMMRBU-MRXNPFEDSA-N 1 1 280.456 3.480 20 30 CGEDMO C#CCCC[N@H+](C)Cc1ccc(N(CC)CC)cc1 ZINC000766895403 627367635 /nfs/dbraw/zinc/36/76/35/627367635.db2.gz KSARGTODQMWDGE-UHFFFAOYSA-N 1 1 258.409 3.378 20 30 CGEDMO C#CCCC[N@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000766920886 627371066 /nfs/dbraw/zinc/37/10/66/627371066.db2.gz WBANSYUANYLPQV-UHFFFAOYSA-N 1 1 252.361 3.248 20 30 CGEDMO C#CCCC[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000766925787 627371110 /nfs/dbraw/zinc/37/11/10/627371110.db2.gz XTCQGFXPVRKLEO-UHFFFAOYSA-N 1 1 290.382 3.278 20 30 CGEDMO C#CCCC[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000767787848 627437082 /nfs/dbraw/zinc/43/70/82/627437082.db2.gz NRZFUTUWGZBVLI-UHFFFAOYSA-N 1 1 286.202 3.201 20 30 CGEDMO CC#CCCCC(=O)O[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000768012946 627449621 /nfs/dbraw/zinc/44/96/21/627449621.db2.gz MZXOFXJVVADGSA-GOSISDBHSA-N 1 1 299.414 3.388 20 30 CGEDMO C#C[C@H](CC)OC(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC000768041621 627452157 /nfs/dbraw/zinc/45/21/57/627452157.db2.gz MLQGYFSKXFOOFG-CVEARBPZSA-N 1 1 273.376 3.025 20 30 CGEDMO CC[N@@H+](CCc1ccccn1)Cc1ccc(C#N)s1 ZINC000769037586 627519859 /nfs/dbraw/zinc/51/98/59/627519859.db2.gz QKSGRUQWKYRPMH-UHFFFAOYSA-N 1 1 271.389 3.079 20 30 CGEDMO C#CC[N@H+](CC)Cc1cccc(OC2CCCC2)c1 ZINC000769105725 627522382 /nfs/dbraw/zinc/52/23/82/627522382.db2.gz PEAPBUBJJIGMHL-UHFFFAOYSA-N 1 1 257.377 3.463 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)cc1 ZINC000769142433 627525426 /nfs/dbraw/zinc/52/54/26/627525426.db2.gz XOOZTLRHJIKBLW-MCIONIFRSA-N 1 1 290.432 3.303 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)cc1 ZINC000769489328 627559791 /nfs/dbraw/zinc/55/97/91/627559791.db2.gz WYTLHLFWJFQZAF-CALCHBBNSA-N 1 1 269.388 3.177 20 30 CGEDMO C[C@H]1CC(N=Nc2c(F)cccc2Cl)CC[N@H+]1C ZINC000769827347 627582329 /nfs/dbraw/zinc/58/23/29/627582329.db2.gz TXMYKLUSKAHNRM-VIFPVBQESA-N 1 1 269.751 3.361 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000769963623 627593003 /nfs/dbraw/zinc/59/30/03/627593003.db2.gz YALUVYFOBIIRGN-VIFPVBQESA-N 1 1 270.145 3.042 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)Cc2cccc(O)c2)cc1 ZINC000771934780 627746102 /nfs/dbraw/zinc/74/61/02/627746102.db2.gz FEJVFGIPZSZFME-AWEZNQCLSA-N 1 1 296.370 3.315 20 30 CGEDMO C=CC[N@@H+](C[C@H](O)c1ccc(Cl)cc1)C(C)C ZINC000772176391 627771261 /nfs/dbraw/zinc/77/12/61/627771261.db2.gz ZDWJNIAMKOEAOC-AWEZNQCLSA-N 1 1 253.773 3.270 20 30 CGEDMO C#CCOc1ccccc1C[NH2+][C@H](C)c1cncc(F)c1 ZINC000772987541 627838067 /nfs/dbraw/zinc/83/80/67/627838067.db2.gz KFTABHKDWPEQJG-CYBMUJFWSA-N 1 1 284.334 3.084 20 30 CGEDMO C#CC[N@H+](Cc1cccc(C#N)c1F)C1CCCCC1 ZINC000774582242 628007188 /nfs/dbraw/zinc/00/71/88/628007188.db2.gz LCGDTOPOGXZGBB-UHFFFAOYSA-N 1 1 270.351 3.465 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000774767541 628025238 /nfs/dbraw/zinc/02/52/38/628025238.db2.gz PUPHYFUJSWNRSF-UAGQMJEPSA-N 1 1 291.439 3.053 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000774767539 628025307 /nfs/dbraw/zinc/02/53/07/628025307.db2.gz PUPHYFUJSWNRSF-BHYGNILZSA-N 1 1 291.439 3.053 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1cc(C)cc(Br)c1 ZINC000775183097 628067696 /nfs/dbraw/zinc/06/76/96/628067696.db2.gz HRPUZWIANDGPSK-NSHDSACASA-N 1 1 266.182 3.211 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000775182596 628070041 /nfs/dbraw/zinc/07/00/41/628070041.db2.gz DYJGDCCHBAWJEG-GFCCVEGCSA-N 1 1 284.315 3.308 20 30 CGEDMO Cc1nn(C)c(Cl)c1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000775335207 628083792 /nfs/dbraw/zinc/08/37/92/628083792.db2.gz FWHZLIZNVWXJNE-JTQLQIEISA-N 1 1 288.782 3.104 20 30 CGEDMO C=CC[N@@H+](C[C@H](O)c1ccc(F)cc1Cl)C(C)C ZINC000775572513 628109109 /nfs/dbraw/zinc/10/91/09/628109109.db2.gz SATJNXVCKBSOTJ-AWEZNQCLSA-N 1 1 271.763 3.409 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)cc1 ZINC000775620382 628113926 /nfs/dbraw/zinc/11/39/26/628113926.db2.gz OJAQWKHWWQDMPT-INIZCTEOSA-N 1 1 288.391 3.064 20 30 CGEDMO CCCCCCCCC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000874847290 634630459 /nfs/dbraw/zinc/63/04/59/634630459.db2.gz NVPHCKKUDRHAMA-CVEARBPZSA-N 1 1 280.456 3.432 20 30 CGEDMO CCCCCCCC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000874846518 634630918 /nfs/dbraw/zinc/63/09/18/634630918.db2.gz KDGQRFNSBOHCQT-HUUCEWRRSA-N 1 1 266.429 3.042 20 30 CGEDMO C#CC[N@H+](Cc1nc2c(s1)CCCC2)C1CCCC1 ZINC000776687936 628224979 /nfs/dbraw/zinc/22/49/79/628224979.db2.gz UQMRKTUIBWBRCP-UHFFFAOYSA-N 1 1 274.433 3.400 20 30 CGEDMO C#CC[N@@H+](Cc1nc2c(s1)CCCC2)C1CCCC1 ZINC000776687936 628224980 /nfs/dbraw/zinc/22/49/80/628224980.db2.gz UQMRKTUIBWBRCP-UHFFFAOYSA-N 1 1 274.433 3.400 20 30 CGEDMO C#CCCCCCOC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000779454392 628414119 /nfs/dbraw/zinc/41/41/19/628414119.db2.gz OTRCPQNOCBOGMW-SFHVURJKSA-N 1 1 299.414 3.388 20 30 CGEDMO C#CCCCCCOC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000779454392 628414121 /nfs/dbraw/zinc/41/41/21/628414121.db2.gz OTRCPQNOCBOGMW-SFHVURJKSA-N 1 1 299.414 3.388 20 30 CGEDMO CCSc1ccc(C(C)=NNc2cc[nH+]cc2)cc1 ZINC000779806984 628432799 /nfs/dbraw/zinc/43/27/99/628432799.db2.gz KXBZPOUAXXNHGM-UHFFFAOYSA-N 1 1 271.389 3.452 20 30 CGEDMO CC[C@@H](C)Oc1cc(C=NNc2cc[nH+]cc2)ccc1OC ZINC000779807266 628433016 /nfs/dbraw/zinc/43/30/16/628433016.db2.gz QLXKORSNCLOAQA-CYBMUJFWSA-N 1 1 299.374 3.135 20 30 CGEDMO CC(=[NH+]Nc1ccc2n[nH]cc2c1)c1ccc(N)cc1C ZINC000779811881 628434638 /nfs/dbraw/zinc/43/46/38/628434638.db2.gz MCMVGNQGTPKTET-UHFFFAOYSA-N 1 1 279.347 3.290 20 30 CGEDMO C#CCCCCCC(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000780662391 628507702 /nfs/dbraw/zinc/50/77/02/628507702.db2.gz ZYJANZOTHKSVCV-QGZVFWFLSA-N 1 1 292.467 3.054 20 30 CGEDMO C#CC[N@H+](CC)Cc1cc(Cl)nc2ccccc12 ZINC000782507259 628650606 /nfs/dbraw/zinc/65/06/06/628650606.db2.gz LKKIVYULRIKAGF-UHFFFAOYSA-N 1 1 258.752 3.343 20 30 CGEDMO C#CC[N@H+](Cc1c(C)cc(C)nc1OC)C1CCCC1 ZINC000805742267 628685197 /nfs/dbraw/zinc/68/51/97/628685197.db2.gz HXDSBGXILVQRSN-UHFFFAOYSA-N 1 1 272.392 3.085 20 30 CGEDMO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(CC#N)cc2)no1 ZINC000784126187 628782890 /nfs/dbraw/zinc/78/28/90/628782890.db2.gz VCKYHAMADXJANB-QGZVFWFLSA-N 1 1 281.359 3.386 20 30 CGEDMO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(CC#N)cc2)no1 ZINC000784126187 628782893 /nfs/dbraw/zinc/78/28/93/628782893.db2.gz VCKYHAMADXJANB-QGZVFWFLSA-N 1 1 281.359 3.386 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC000805762448 628817908 /nfs/dbraw/zinc/81/79/08/628817908.db2.gz AJHQCVIDXMSGGW-CQSZACIVSA-N 1 1 282.428 3.332 20 30 CGEDMO C#CC[N@H+](C[C@H](C)NC(=O)OC(C)(C)C)C1CCCCC1 ZINC000785446137 628862794 /nfs/dbraw/zinc/86/27/94/628862794.db2.gz YDWWLURGJUJWMO-AWEZNQCLSA-N 1 1 294.439 3.168 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N[C@H](C)CCCCC ZINC000785996961 628906351 /nfs/dbraw/zinc/90/63/51/628906351.db2.gz HTXWKKGGSZSKLT-HUUCEWRRSA-N 1 1 266.429 3.112 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc(F)c(F)c1 ZINC000785997299 628906933 /nfs/dbraw/zinc/90/69/33/628906933.db2.gz KSTYKKBLUJSTMJ-SWLSCSKDSA-N 1 1 267.319 3.039 20 30 CGEDMO C=CCC[N@@H+](C)CN1C(=O)C(C)(C)[C@H]1c1ccccc1 ZINC000786102797 628914523 /nfs/dbraw/zinc/91/45/23/628914523.db2.gz VNAXXMIDIBTBTN-OAHLLOKOSA-N 1 1 272.392 3.062 20 30 CGEDMO C=CCC[N@H+](C)CN1C(=O)C(C)(C)[C@H]1c1ccccc1 ZINC000786102797 628914526 /nfs/dbraw/zinc/91/45/26/628914526.db2.gz VNAXXMIDIBTBTN-OAHLLOKOSA-N 1 1 272.392 3.062 20 30 CGEDMO C=CC[N@H+](CN1C[C@@H](CC(C)(C)C)CC1=O)C(C)C ZINC000787216655 629002181 /nfs/dbraw/zinc/00/21/81/629002181.db2.gz LWXBXSQALGPPHI-CQSZACIVSA-N 1 1 266.429 3.125 20 30 CGEDMO C=CC[N@@H+](CN1C[C@@H](CC(C)(C)C)CC1=O)C(C)C ZINC000787216655 629002185 /nfs/dbraw/zinc/00/21/85/629002185.db2.gz LWXBXSQALGPPHI-CQSZACIVSA-N 1 1 266.429 3.125 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cccc(Cl)c1OCC ZINC000787289169 629006983 /nfs/dbraw/zinc/00/69/83/629006983.db2.gz FLJDPZDNKLOJON-LLVKDONJSA-N 1 1 251.757 3.192 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1cccc(Cl)c1OCC ZINC000787289169 629006988 /nfs/dbraw/zinc/00/69/88/629006988.db2.gz FLJDPZDNKLOJON-LLVKDONJSA-N 1 1 251.757 3.192 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000787308562 629008252 /nfs/dbraw/zinc/00/82/52/629008252.db2.gz DAHNOUNLSLMWLL-QGZVFWFLSA-N 1 1 286.419 3.064 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000787997676 629038671 /nfs/dbraw/zinc/03/86/71/629038671.db2.gz PCLDEQQLGSUMMW-UHFFFAOYSA-N 1 1 266.728 3.092 20 30 CGEDMO Cn1cc[nH+]c1[N-][NH+]=CC=C1N(C)c2ccccc2C1(C)C ZINC000790302091 629201873 /nfs/dbraw/zinc/20/18/73/629201873.db2.gz MZGATYCODIBMJN-BARLHGRQSA-N 1 1 295.390 3.129 20 30 CGEDMO C=CCN(C(=O)CC[N@@H+](C)C1CCCCC1)C(C)C ZINC000791127247 629256921 /nfs/dbraw/zinc/25/69/21/629256921.db2.gz NQHXBAVVVSLOQL-UHFFFAOYSA-N 1 1 266.429 3.064 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000862441111 629373644 /nfs/dbraw/zinc/37/36/44/629373644.db2.gz OQZJKSFJNLLXOS-LLVKDONJSA-N 1 1 251.757 3.444 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000862442756 629374925 /nfs/dbraw/zinc/37/49/25/629374925.db2.gz HJCIPOYYLDVMPK-NSHDSACASA-N 1 1 251.732 3.324 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2csc(C(C)(C)C)n2)C1 ZINC000862442982 629375011 /nfs/dbraw/zinc/37/50/11/629375011.db2.gz JZSLNMPSVOGZKM-GFCCVEGCSA-N 1 1 262.422 3.286 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccccc2OC(C)C)C1 ZINC000862443326 629376731 /nfs/dbraw/zinc/37/67/31/629376731.db2.gz OGJBYGIEECQXDF-OAHLLOKOSA-N 1 1 257.377 3.319 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000862443628 629377092 /nfs/dbraw/zinc/37/70/92/629377092.db2.gz RHBVGNDAZBWBRN-LBPRGKRZSA-N 1 1 265.303 3.133 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000862445229 629377668 /nfs/dbraw/zinc/37/76/68/629377668.db2.gz OPDNROIGGYHVDB-CQSZACIVSA-N 1 1 250.345 3.080 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](C[C@H](C)c2ccc(OC)cc2)C1 ZINC000862445221 629378543 /nfs/dbraw/zinc/37/85/43/629378543.db2.gz OMGDOUSUVLIRPN-LSDHHAIUSA-N 1 1 257.377 3.144 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000862445651 629379232 /nfs/dbraw/zinc/37/92/32/629379232.db2.gz YUIROPZVWPWUEK-MASHWEEQSA-N 1 1 261.315 3.323 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000862445630 629380056 /nfs/dbraw/zinc/38/00/56/629380056.db2.gz YNKSMRGMAJOIKK-AWEZNQCLSA-N 1 1 266.344 3.187 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@](O)(c3ccccc3)C2)cc1 ZINC000862483580 629386160 /nfs/dbraw/zinc/38/61/60/629386160.db2.gz UZWFFWUNXATELT-HXUWFJFHSA-N 1 1 291.394 3.152 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)cc1 ZINC000793230242 629432671 /nfs/dbraw/zinc/43/26/71/629432671.db2.gz FNWRAJWFOKJAQV-DOMZBBRYSA-N 1 1 297.320 3.471 20 30 CGEDMO C#CC[C@@H](Cc1ccccc1)OC(=O)[C@H]1CCCC[N@H+]1CC ZINC000793375039 629450739 /nfs/dbraw/zinc/45/07/39/629450739.db2.gz NVWPZDGRMOANLX-ZWKOTPCHSA-N 1 1 299.414 3.039 20 30 CGEDMO C#CC[C@@H](Cc1ccccc1)OC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000793375039 629450743 /nfs/dbraw/zinc/45/07/43/629450743.db2.gz NVWPZDGRMOANLX-ZWKOTPCHSA-N 1 1 299.414 3.039 20 30 CGEDMO c1cnn(N=C2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c1 ZINC000863164624 629488254 /nfs/dbraw/zinc/48/82/54/629488254.db2.gz PYPNSFZXQZTKIE-SJORKVTESA-N 1 1 294.402 3.019 20 30 CGEDMO c1cnn(N=C2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c1 ZINC000863164624 629488257 /nfs/dbraw/zinc/48/82/57/629488257.db2.gz PYPNSFZXQZTKIE-SJORKVTESA-N 1 1 294.402 3.019 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1C[C@H](c2ccccc2)OC1=O ZINC000863269779 629515850 /nfs/dbraw/zinc/51/58/50/629515850.db2.gz JMORHKHYEVXXFJ-IXDOHACOSA-N 1 1 298.386 3.320 20 30 CGEDMO CC[C@H](C)N[NH+]=Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000794534410 629551355 /nfs/dbraw/zinc/55/13/55/629551355.db2.gz HFLAYOADUWBSQW-JTQLQIEISA-N 1 1 287.329 3.493 20 30 CGEDMO COCCCON=C1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000795055854 629629416 /nfs/dbraw/zinc/62/94/16/629629416.db2.gz QAJGJVPMCSZXNB-OAHLLOKOSA-N 1 1 290.407 3.080 20 30 CGEDMO FC1(F)CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000796540273 629797443 /nfs/dbraw/zinc/79/74/43/629797443.db2.gz RCSKRFZPWYLHDG-UHFFFAOYSA-N 1 1 269.722 3.423 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)C[C@@H](O)CCc1ccccc1 ZINC000796630993 629807705 /nfs/dbraw/zinc/80/77/05/629807705.db2.gz BVMZWRKFBIGANL-FQEVSTJZSA-N 1 1 293.410 3.116 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc(SC(F)F)cc2)CC1 ZINC000797605050 629970138 /nfs/dbraw/zinc/97/01/38/629970138.db2.gz HQTINVCZUUMLAY-UHFFFAOYSA-N 1 1 268.332 3.395 20 30 CGEDMO C=CC[N@H+](CCCN(C)C(=O)OC(C)(C)C)C(C)C ZINC000797949516 630006170 /nfs/dbraw/zinc/00/61/70/630006170.db2.gz VUOFPEWYQRHVOI-UHFFFAOYSA-N 1 1 270.417 3.140 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccc(N(C)c2ccccc2)nc1 ZINC000798075201 630019599 /nfs/dbraw/zinc/01/95/99/630019599.db2.gz NABYZFMQXIIEHI-UHFFFAOYSA-N 1 1 279.387 3.305 20 30 CGEDMO C=CCCOCC[NH2+]Cc1c(Cl)cncc1Cl ZINC000865512752 630163574 /nfs/dbraw/zinc/16/35/74/630163574.db2.gz SQUXNYOXPKCURD-UHFFFAOYSA-N 1 1 275.179 3.071 20 30 CGEDMO O=C1C=C([NH2+]Nc2cccc3ccccc32)[C@H]2CCCCN12 ZINC000799479084 630187911 /nfs/dbraw/zinc/18/79/11/630187911.db2.gz IUUWAAJFMIEZER-QGZVFWFLSA-N 1 1 293.370 3.393 20 30 CGEDMO CCCn1cc(C[NH2+][C@H](CCCC#N)c2ccccc2)nn1 ZINC000865579365 630200421 /nfs/dbraw/zinc/20/04/21/630200421.db2.gz ZVCMAGCMOGRMOX-QGZVFWFLSA-N 1 1 297.406 3.213 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000801914295 630364901 /nfs/dbraw/zinc/36/49/01/630364901.db2.gz BOZZIWOQMYGGLV-GDBMZVCRSA-N 1 1 264.413 3.350 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](C)CCc1cccc2ccccc21 ZINC000801916712 630366024 /nfs/dbraw/zinc/36/60/24/630366024.db2.gz CPYLUEYFZVVHMO-OAHLLOKOSA-N 1 1 282.387 3.243 20 30 CGEDMO Cc1ccc([C@@H]2CCCC[N@@H+]2CCO[C@@H](C)C#N)cc1 ZINC000801922645 630366861 /nfs/dbraw/zinc/36/68/61/630366861.db2.gz MUHWBFCVYZENCT-RDJZCZTQSA-N 1 1 272.392 3.451 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCCC[C@@H]1CCc1ccccc1 ZINC000801935520 630370198 /nfs/dbraw/zinc/37/01/98/630370198.db2.gz GMQFTIQJKLEZLB-FUHWJXTLSA-N 1 1 286.419 3.402 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000801934803 630370300 /nfs/dbraw/zinc/37/03/00/630370300.db2.gz RAVIVHLTVSVRLU-LRDDRELGSA-N 1 1 294.345 3.420 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000801934803 630370301 /nfs/dbraw/zinc/37/03/01/630370301.db2.gz RAVIVHLTVSVRLU-LRDDRELGSA-N 1 1 294.345 3.420 20 30 CGEDMO CC(C)c1cccc2c1CC[N@@H+](CCO[C@H](C)C#N)C2 ZINC000801948472 630372485 /nfs/dbraw/zinc/37/24/85/630372485.db2.gz BKQZUOWNDKWQKT-CQSZACIVSA-N 1 1 272.392 3.097 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000802009815 630374181 /nfs/dbraw/zinc/37/41/81/630374181.db2.gz UOEWDLCEKVSZCR-QGZVFWFLSA-N 1 1 294.439 3.286 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H](CNc2nc(Cl)c(C#N)s2)C1 ZINC000804390238 630525695 /nfs/dbraw/zinc/52/56/95/630525695.db2.gz ATQQBYUZTBUDTP-JTQLQIEISA-N 1 1 298.843 3.200 20 30 CGEDMO C[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)CC(C)(C)C#N ZINC000840071996 630574640 /nfs/dbraw/zinc/57/46/40/630574640.db2.gz CZCTUQJLBIQDNZ-UHFFFAOYSA-N 1 1 290.407 3.377 20 30 CGEDMO C[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1O)CC(C)(C)C#N ZINC000840071996 630574643 /nfs/dbraw/zinc/57/46/43/630574643.db2.gz CZCTUQJLBIQDNZ-UHFFFAOYSA-N 1 1 290.407 3.377 20 30 CGEDMO C=CCCCCCCNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000807570743 630593172 /nfs/dbraw/zinc/59/31/72/630593172.db2.gz DPEZBFLYHNCARC-INIZCTEOSA-N 1 1 295.471 3.106 20 30 CGEDMO N#CC[C@@H](O)C[N@H+]1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000809577011 630753761 /nfs/dbraw/zinc/75/37/61/630753761.db2.gz IZAOCXQDLYGOFQ-WFJXPABVSA-N 1 1 284.403 3.219 20 30 CGEDMO C#Cc1ccc(C[N@@H+](CCOC)Cc2ccc(C)o2)cc1 ZINC000809584339 630755932 /nfs/dbraw/zinc/75/59/32/630755932.db2.gz XKSQLGJXLJQJNU-UHFFFAOYSA-N 1 1 283.371 3.218 20 30 CGEDMO C#CC[N@@H+](Cc1c(CC)nn(C)c1CC)Cc1ccccc1 ZINC000809715562 630788858 /nfs/dbraw/zinc/78/88/58/630788858.db2.gz CUBHBKVALHEXCU-UHFFFAOYSA-N 1 1 295.430 3.180 20 30 CGEDMO C#CC[N@H+](Cc1c(CC)nn(C)c1CC)Cc1ccccc1 ZINC000809715562 630788864 /nfs/dbraw/zinc/78/88/64/630788864.db2.gz CUBHBKVALHEXCU-UHFFFAOYSA-N 1 1 295.430 3.180 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC3(C2)Oc2ccccc2O3)cc1 ZINC000809790064 630811143 /nfs/dbraw/zinc/81/11/43/630811143.db2.gz VYVDDWIJDXSPDB-UHFFFAOYSA-N 1 1 291.350 3.041 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1COC(=O)NC1CCCC1 ZINC000810034597 630832711 /nfs/dbraw/zinc/83/27/11/630832711.db2.gz VZEAFOYLWLRNAW-HNNXBMFYSA-N 1 1 280.412 3.086 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000810048238 630833492 /nfs/dbraw/zinc/83/34/92/630833492.db2.gz ZGCLSLBPEOGLJR-CRAIPNDOSA-N 1 1 269.388 3.258 20 30 CGEDMO C#C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000811516376 631082214 /nfs/dbraw/zinc/08/22/14/631082214.db2.gz NBXCHQBHHXFOEC-IKGGRYGDSA-N 1 1 288.822 3.231 20 30 CGEDMO C[C@@H]1C(=NNCCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000811648675 631097378 /nfs/dbraw/zinc/09/73/78/631097378.db2.gz WROSAWBDPDQKBD-GFCCVEGCSA-N 1 1 299.340 3.179 20 30 CGEDMO C[C@@H]1C(=NNCCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000811648675 631097381 /nfs/dbraw/zinc/09/73/81/631097381.db2.gz WROSAWBDPDQKBD-GFCCVEGCSA-N 1 1 299.340 3.179 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CC1=NOCC1CC1 ZINC000814243538 631557145 /nfs/dbraw/zinc/55/71/45/631557145.db2.gz BKVNOCOGCYHXLH-AWEZNQCLSA-N 1 1 272.392 3.311 20 30 CGEDMO CC(=[NH+]Nc1ccccc1)c1cc([N+](=O)[O-])ccc1N ZINC000814684213 631621938 /nfs/dbraw/zinc/62/19/38/631621938.db2.gz HWQWCWBJTOFUTE-UHFFFAOYSA-N 1 1 270.292 3.013 20 30 CGEDMO CC(=[NH+]N[C@H](C)c1ccccc1)c1cc([N+](=O)[O-])ccc1N ZINC000814814853 631647238 /nfs/dbraw/zinc/64/72/38/631647238.db2.gz BZUCGWUOWHETKA-LLVKDONJSA-N 1 1 298.346 3.252 20 30 CGEDMO CC(N=Nc1ccnc(F)c1)c1cccc(C[NH+](C)C)c1 ZINC000814902843 631672595 /nfs/dbraw/zinc/67/25/95/631672595.db2.gz WXWYDXDIXWGPLG-UHFFFAOYSA-N 1 1 286.354 3.118 20 30 CGEDMO CC(=[NH+]N[C@H](C)C(C)(C)C)c1cc(N)ccc1F ZINC000814937350 631691664 /nfs/dbraw/zinc/69/16/64/631691664.db2.gz CRDRSOJLBRIUHE-SNVBAGLBSA-N 1 1 251.349 3.156 20 30 CGEDMO C#CC[N@@H+](C)CCCN[C@H](CC)c1cccc(Cl)c1F ZINC000815652750 631814339 /nfs/dbraw/zinc/81/43/39/631814339.db2.gz QJTGBFWZONORGQ-OAHLLOKOSA-N 1 1 296.817 3.475 20 30 CGEDMO C#CC[N@H+](C)CCCN[C@H](CC)c1cccc(Cl)c1F ZINC000815652750 631814341 /nfs/dbraw/zinc/81/43/41/631814341.db2.gz QJTGBFWZONORGQ-OAHLLOKOSA-N 1 1 296.817 3.475 20 30 CGEDMO CCCCCCCCC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000816504879 631996049 /nfs/dbraw/zinc/99/60/49/631996049.db2.gz GDLATLZMQCNAGV-UHFFFAOYSA-N 1 1 268.445 3.290 20 30 CGEDMO C=C(C)COc1cc(C[N@H+]2C[C@H](C)[C@@H]2C)ccc1OC ZINC000816648668 632035461 /nfs/dbraw/zinc/03/54/61/632035461.db2.gz NHYVJTJLOKIKPV-KBPBESRZSA-N 1 1 275.392 3.490 20 30 CGEDMO Cc1nc(CC[N@H+](C)CCc2cccc(C#N)c2)cs1 ZINC000879433276 635787506 /nfs/dbraw/zinc/78/75/06/635787506.db2.gz RVIMZGKNIGWOPF-UHFFFAOYSA-N 1 1 285.416 3.040 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)C[C@](C)(O)c1ccccc1 ZINC000822521249 632959372 /nfs/dbraw/zinc/95/93/72/632959372.db2.gz ZADZWNKWUOLWLQ-SFHVURJKSA-N 1 1 298.361 3.037 20 30 CGEDMO COc1cc(C)ccc1C[N@H+](CCC#N)CC(C)C ZINC000823382294 633096307 /nfs/dbraw/zinc/09/63/07/633096307.db2.gz DIUMDKTWDDNEIU-UHFFFAOYSA-N 1 1 260.381 3.375 20 30 CGEDMO COc1cc(C)ccc1C[N@@H+](CCC#N)CC(C)C ZINC000823382294 633096313 /nfs/dbraw/zinc/09/63/13/633096313.db2.gz DIUMDKTWDDNEIU-UHFFFAOYSA-N 1 1 260.381 3.375 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1cccc(Br)c1F ZINC000824297878 633226751 /nfs/dbraw/zinc/22/67/51/633226751.db2.gz ZQIXKMFYJCHVLK-SECBINFHSA-N 1 1 270.145 3.042 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cccc(Br)c1F ZINC000824297878 633226762 /nfs/dbraw/zinc/22/67/62/633226762.db2.gz ZQIXKMFYJCHVLK-SECBINFHSA-N 1 1 270.145 3.042 20 30 CGEDMO C=CC(C)(C)C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000824790630 633291444 /nfs/dbraw/zinc/29/14/44/633291444.db2.gz XDJOMPPBEBPYDR-UHFFFAOYSA-N 1 1 257.736 3.487 20 30 CGEDMO C#CCCCCCC[N@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000876594698 634864650 /nfs/dbraw/zinc/86/46/50/634864650.db2.gz VGRRQUDVVJTDEP-UHFFFAOYSA-N 1 1 298.430 3.334 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000826861301 633437819 /nfs/dbraw/zinc/43/78/19/633437819.db2.gz DRIGMOJRGSQFAS-JTQLQIEISA-N 1 1 282.746 3.310 20 30 CGEDMO N#CC[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000826861301 633437820 /nfs/dbraw/zinc/43/78/20/633437820.db2.gz DRIGMOJRGSQFAS-JTQLQIEISA-N 1 1 282.746 3.310 20 30 CGEDMO Cc1cc(C)c(COC(=O)C2(C#N)CC3(CC3)C2)c(C)[nH+]1 ZINC000869614174 633487775 /nfs/dbraw/zinc/48/77/75/633487775.db2.gz RJHOQEYJYNGXNK-UHFFFAOYSA-N 1 1 284.359 3.134 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)CC2=CCSC2)cc1 ZINC000827806854 633520481 /nfs/dbraw/zinc/52/04/81/633520481.db2.gz WUPOCJPTJVPLSP-ZDUSSCGKSA-N 1 1 288.416 3.082 20 30 CGEDMO Cc1noc(C)c1C[N@@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000122878035 633524432 /nfs/dbraw/zinc/52/44/32/633524432.db2.gz UEASDCATKWPFPK-LBPRGKRZSA-N 1 1 269.348 3.356 20 30 CGEDMO Cc1noc(C)c1C[N@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000122878035 633524435 /nfs/dbraw/zinc/52/44/35/633524435.db2.gz UEASDCATKWPFPK-LBPRGKRZSA-N 1 1 269.348 3.356 20 30 CGEDMO C#CCOc1ccc([C@@H](C)[NH2+]Cc2ncc(C)s2)cc1 ZINC000122909457 633528805 /nfs/dbraw/zinc/52/88/05/633528805.db2.gz ZNPGSSFQMCDCNY-CYBMUJFWSA-N 1 1 286.400 3.314 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(OCC)cc2)C1 ZINC000829773844 633781131 /nfs/dbraw/zinc/78/11/31/633781131.db2.gz KCCJNCBHHPHBPZ-HNNXBMFYSA-N 1 1 257.377 3.321 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2nc(-c3cccc(C)c3)no2)C1 ZINC000829778974 633783000 /nfs/dbraw/zinc/78/30/00/633783000.db2.gz LGRYFFNIGQJKNQ-OAHLLOKOSA-N 1 1 295.386 3.280 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](CC/C=C\c2cncc(OC)c2)C1 ZINC000829814934 633795686 /nfs/dbraw/zinc/79/56/86/633795686.db2.gz CJSWKAJGUMSHFD-LWAXHKBTSA-N 1 1 284.403 3.229 20 30 CGEDMO C#CC1CC[NH+](Cc2nc(-c3ccc(CC)cc3)no2)CC1 ZINC000830301369 633847325 /nfs/dbraw/zinc/84/73/25/633847325.db2.gz KSFQJIOVDTYSNG-UHFFFAOYSA-N 1 1 295.386 3.144 20 30 CGEDMO C#CC1CC[NH+](Cc2ccn(C(CC)CC)n2)CC1 ZINC000830342852 633853084 /nfs/dbraw/zinc/85/30/84/633853084.db2.gz DYGUGZVGANYGAH-UHFFFAOYSA-N 1 1 259.397 3.089 20 30 CGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ccc(CC)cc2)no1 ZINC000871778880 633860492 /nfs/dbraw/zinc/86/04/92/633860492.db2.gz COLRWUMVOGQKDB-GFCCVEGCSA-N 1 1 277.755 3.441 20 30 CGEDMO C=C(Br)C[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000832505919 634068826 /nfs/dbraw/zinc/06/88/26/634068826.db2.gz RJOQAOSIUNOHSJ-LLVKDONJSA-N 1 1 276.243 3.114 20 30 CGEDMO C=C(Br)C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000832505919 634068831 /nfs/dbraw/zinc/06/88/31/634068831.db2.gz RJOQAOSIUNOHSJ-LLVKDONJSA-N 1 1 276.243 3.114 20 30 CGEDMO C=CCC(C)(C)c1noc([C@H]([NH3+])CC(=C)Cl)n1 ZINC000872182816 634081235 /nfs/dbraw/zinc/08/12/35/634081235.db2.gz RLHLAXNSXFAHDT-SECBINFHSA-N 1 1 255.749 3.066 20 30 CGEDMO C=CCOc1cccc(NC(=O)CCCn2cc[nH+]c2C)c1 ZINC000101655109 634229924 /nfs/dbraw/zinc/22/99/24/634229924.db2.gz VDRKKDDXCYFAFA-UHFFFAOYSA-N 1 1 299.374 3.175 20 30 CGEDMO CCCCCCCCCC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000834817522 634246906 /nfs/dbraw/zinc/24/69/06/634246906.db2.gz UIKPIUUWRAGXCP-MRXNPFEDSA-N 1 1 286.435 3.287 20 30 CGEDMO N#Cc1cnc(Cl)c(C[N@@H+]2CC[C@H]2Cc2ccccc2)c1 ZINC000876773625 634896800 /nfs/dbraw/zinc/89/68/00/634896800.db2.gz CCKVDYWHZCGYGF-INIZCTEOSA-N 1 1 297.789 3.424 20 30 CGEDMO N#Cc1cnc(Cl)c(C[N@H+]2CC[C@H]2Cc2ccccc2)c1 ZINC000876773625 634896805 /nfs/dbraw/zinc/89/68/05/634896805.db2.gz CCKVDYWHZCGYGF-INIZCTEOSA-N 1 1 297.789 3.424 20 30 CGEDMO N#Cc1cnc(Cl)c(C[N@@H+]2CC[C@@H]2Cc2ccccc2)c1 ZINC000876773626 634897077 /nfs/dbraw/zinc/89/70/77/634897077.db2.gz CCKVDYWHZCGYGF-MRXNPFEDSA-N 1 1 297.789 3.424 20 30 CGEDMO N#Cc1cnc(Cl)c(C[N@H+]2CC[C@@H]2Cc2ccccc2)c1 ZINC000876773626 634897080 /nfs/dbraw/zinc/89/70/80/634897080.db2.gz CCKVDYWHZCGYGF-MRXNPFEDSA-N 1 1 297.789 3.424 20 30 CGEDMO C#CCCCCCC[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000876807459 634902995 /nfs/dbraw/zinc/90/29/95/634902995.db2.gz DZKYVXXJHROMIP-IAGOWNOFSA-N 1 1 273.424 3.350 20 30 CGEDMO C=CCC(F)(F)C(=O)OC[C@@H]1CCCC[N@@H+]1C(C)C ZINC000837745824 634978606 /nfs/dbraw/zinc/97/86/06/634978606.db2.gz XJORSWNFVUPKCN-LBPRGKRZSA-N 1 1 275.339 3.004 20 30 CGEDMO C[C@H](CCC#N)C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000877496158 635060178 /nfs/dbraw/zinc/06/01/78/635060178.db2.gz MRNKTPQEQAZHQZ-IEBWSBKVSA-N 1 1 299.462 3.428 20 30 CGEDMO C[C@H](CCC#N)C[NH2+]C[C@@]1(C)CCN(Cc2ccccc2)C1 ZINC000877496158 635060183 /nfs/dbraw/zinc/06/01/83/635060183.db2.gz MRNKTPQEQAZHQZ-IEBWSBKVSA-N 1 1 299.462 3.428 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2N(C)C)CCC1(F)F ZINC000877538771 635078650 /nfs/dbraw/zinc/07/86/50/635078650.db2.gz GQXXMPFAMBIACT-GFCCVEGCSA-N 1 1 293.361 3.101 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000877552810 635087334 /nfs/dbraw/zinc/08/73/34/635087334.db2.gz XEIIJXADRBXRGO-YPMHNXCESA-N 1 1 292.345 3.358 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000877563722 635092664 /nfs/dbraw/zinc/09/26/64/635092664.db2.gz OPGZLNOCYNLNPP-ZACQAIPSSA-N 1 1 263.425 3.196 20 30 CGEDMO C#CCCCCCCN1CCC(CC)([NH+](C)C)CC1 ZINC000877690065 635147000 /nfs/dbraw/zinc/14/70/00/635147000.db2.gz MSPZHNHAOCQPOV-UHFFFAOYSA-N 1 1 264.457 3.376 20 30 CGEDMO C=C(C)C[C@@H]([NH2+]C1CCC(C(F)(F)F)CC1)C(=O)OC ZINC000877689743 635147211 /nfs/dbraw/zinc/14/72/11/635147211.db2.gz JVPIBYALDMRORV-HTAVTVPLSA-N 1 1 293.329 3.205 20 30 CGEDMO C[N@H+](CCc1cccc(C#N)c1)Cc1cccnc1Cl ZINC000877704117 635155459 /nfs/dbraw/zinc/15/54/59/635155459.db2.gz IFKMHSWUJHNPSV-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1cccnc1Cl ZINC000877704117 635155465 /nfs/dbraw/zinc/15/54/65/635155465.db2.gz IFKMHSWUJHNPSV-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO Cc1cccc(O)c1C[N@@H+](C)CCc1cccc(C#N)c1 ZINC000877705066 635156498 /nfs/dbraw/zinc/15/64/98/635156498.db2.gz RGXPLQBNSKVBBR-UHFFFAOYSA-N 1 1 280.371 3.247 20 30 CGEDMO CC([NH2+]Nc1ccc(Br)nc1)=C1CC1(F)F ZINC000841624057 635200136 /nfs/dbraw/zinc/20/01/36/635200136.db2.gz BFPAYIXOJMJYGO-MRVPVSSYSA-N 1 1 290.111 3.287 20 30 CGEDMO Cc1csc([C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)n1 ZINC000877814357 635222120 /nfs/dbraw/zinc/22/21/20/635222120.db2.gz XFXYOMHEZMWNBT-OAHLLOKOSA-N 1 1 283.400 3.313 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)cc1 ZINC000877820075 635225061 /nfs/dbraw/zinc/22/50/61/635225061.db2.gz GIBZQKZQDWBNBL-WFASDCNBSA-N 1 1 297.320 3.210 20 30 CGEDMO C=CC[C@@H](C)[N@@H+](CC)CC(=O)Nc1c(F)cccc1F ZINC000877931098 635276585 /nfs/dbraw/zinc/27/65/85/635276585.db2.gz GMXQOVGSPZEUJX-LLVKDONJSA-N 1 1 282.334 3.190 20 30 CGEDMO C#CCCCCC[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000878169013 635391137 /nfs/dbraw/zinc/39/11/37/635391137.db2.gz HWAFHOHOTZESFS-IBGZPJMESA-N 1 1 277.433 3.049 20 30 CGEDMO C#CCCCCC[N@@H+]1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000878197672 635407217 /nfs/dbraw/zinc/40/72/17/635407217.db2.gz JSVRTFWBSLVLCF-GOSISDBHSA-N 1 1 287.403 3.262 20 30 CGEDMO C#CCCCCC[N@H+]1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000878197672 635407220 /nfs/dbraw/zinc/40/72/20/635407220.db2.gz JSVRTFWBSLVLCF-GOSISDBHSA-N 1 1 287.403 3.262 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000842629767 635420929 /nfs/dbraw/zinc/42/09/29/635420929.db2.gz RBWAEFSHEYFCSI-AWEZNQCLSA-N 1 1 280.371 3.176 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000878252054 635431122 /nfs/dbraw/zinc/43/11/22/635431122.db2.gz APBFRALCFNNBKB-GJZGRUSLSA-N 1 1 287.407 3.005 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)OC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000842834229 635488769 /nfs/dbraw/zinc/48/87/69/635488769.db2.gz RXTGYJMQRRITCF-GJZGRUSLSA-N 1 1 267.413 3.252 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1csc(-c2ccn(C)n2)n1 ZINC000878523332 635541574 /nfs/dbraw/zinc/54/15/74/635541574.db2.gz AXUAQLSNUMFESS-CYBMUJFWSA-N 1 1 288.420 3.084 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1csc(-c2ccn(C)n2)n1 ZINC000878523332 635541582 /nfs/dbraw/zinc/54/15/82/635541582.db2.gz AXUAQLSNUMFESS-CYBMUJFWSA-N 1 1 288.420 3.084 20 30 CGEDMO C=CC[C@@H](C)[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000878560017 635557196 /nfs/dbraw/zinc/55/71/96/635557196.db2.gz CNJGOPINOJZAOQ-HUUCEWRRSA-N 1 1 274.408 3.102 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000878626140 635576647 /nfs/dbraw/zinc/57/66/47/635576647.db2.gz NOGLSICFVHRFSM-RHSMWYFYSA-N 1 1 277.383 3.017 20 30 CGEDMO C=C(Br)C[N@@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000878756019 635623679 /nfs/dbraw/zinc/62/36/79/635623679.db2.gz KNBNGHOABZNFSI-CYBMUJFWSA-N 1 1 281.197 3.170 20 30 CGEDMO C=C(Br)C[N@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000878756019 635623684 /nfs/dbraw/zinc/62/36/84/635623684.db2.gz KNBNGHOABZNFSI-CYBMUJFWSA-N 1 1 281.197 3.170 20 30 CGEDMO CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000878887989 635649867 /nfs/dbraw/zinc/64/98/67/635649867.db2.gz ZSYUXTFTBDYGIN-WBVHZDCISA-N 1 1 299.418 3.338 20 30 CGEDMO CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000878887989 635649875 /nfs/dbraw/zinc/64/98/75/635649875.db2.gz ZSYUXTFTBDYGIN-WBVHZDCISA-N 1 1 299.418 3.338 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc(OC)ccc2F)C1 ZINC000843421822 635664920 /nfs/dbraw/zinc/66/49/20/635664920.db2.gz ABCDCHFSQSJLGR-CYBMUJFWSA-N 1 1 261.340 3.070 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cnc(N(CC)CC)s2)C1 ZINC000843424164 635668827 /nfs/dbraw/zinc/66/88/27/635668827.db2.gz PWZQNRIZDLWAAH-CQSZACIVSA-N 1 1 291.464 3.225 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000879237753 635730118 /nfs/dbraw/zinc/73/01/18/635730118.db2.gz HGCQBZGUOSUKLO-OAHLLOKOSA-N 1 1 280.456 3.073 20 30 CGEDMO C[N@@H+](Cc1ccc2cc[nH]c2c1)C[C@H](C#N)CCC#N ZINC000879727725 635844181 /nfs/dbraw/zinc/84/41/81/635844181.db2.gz KVNBMRPNAUTQSI-AWEZNQCLSA-N 1 1 266.348 3.043 20 30 CGEDMO C[N@H+](Cc1ccc2cc[nH]c2c1)C[C@H](C#N)CCC#N ZINC000879727725 635844184 /nfs/dbraw/zinc/84/41/84/635844184.db2.gz KVNBMRPNAUTQSI-AWEZNQCLSA-N 1 1 266.348 3.043 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC3(CCCC3)C2)c([N+](=O)[O-])c1 ZINC000844300927 635864155 /nfs/dbraw/zinc/86/41/55/635864155.db2.gz NKCBRENLMSNARB-UHFFFAOYSA-N 1 1 285.347 3.233 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC000844357907 635878239 /nfs/dbraw/zinc/87/82/39/635878239.db2.gz ROTYFYMMYGVWPS-YOEHRIQHSA-N 1 1 294.439 3.189 20 30 CGEDMO CCCCCCC[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844369283 635882689 /nfs/dbraw/zinc/88/26/89/635882689.db2.gz JZTNFHDLBZHGRL-KRWDZBQOSA-N 1 1 274.408 3.494 20 30 CGEDMO C=C[C@H](C)ON=C(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000844621910 635944808 /nfs/dbraw/zinc/94/48/08/635944808.db2.gz PNIQBHCEOOHUCF-YOEHRIQHSA-N 1 1 272.392 3.476 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](c2nccs2)C1 ZINC000880320149 635974338 /nfs/dbraw/zinc/97/43/38/635974338.db2.gz PZWZJQBFTNGPLL-ZDUSSCGKSA-N 1 1 299.399 3.013 20 30 CGEDMO C=CCC[N@H+]1CCc2c3cc(OC)ccc3[nH]c2C1 ZINC000880367664 635982395 /nfs/dbraw/zinc/98/23/95/635982395.db2.gz QBIUEBYSEQMSSU-UHFFFAOYSA-N 1 1 256.349 3.111 20 30 CGEDMO C=CCC[N@@H+]1CCc2c3cc(OC)ccc3[nH]c2C1 ZINC000880367664 635982399 /nfs/dbraw/zinc/98/23/99/635982399.db2.gz QBIUEBYSEQMSSU-UHFFFAOYSA-N 1 1 256.349 3.111 20 30 CGEDMO C=CCCC[C@H]([NH2+]Cc1nnc2n1CCC2)c1ccccc1 ZINC000880387937 635991179 /nfs/dbraw/zinc/99/11/79/635991179.db2.gz HCGCHPZSLJLAIV-INIZCTEOSA-N 1 1 296.418 3.412 20 30 CGEDMO N#CCSCCC[N@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000880576137 636025095 /nfs/dbraw/zinc/02/50/95/636025095.db2.gz RKCNFRNBGXRHIK-MRXNPFEDSA-N 1 1 296.480 3.162 20 30 CGEDMO C=C(C)Cn1cc(C[NH2+][C@@H]2CCCc3ccccc32)nn1 ZINC000881009050 636070882 /nfs/dbraw/zinc/07/08/82/636070882.db2.gz BYOASOKNQASJCQ-QGZVFWFLSA-N 1 1 282.391 3.021 20 30 CGEDMO C=C(C)CCn1cc(C[NH2+][C@H]2CCCc3ccccc32)nn1 ZINC000881310478 636095746 /nfs/dbraw/zinc/09/57/46/636095746.db2.gz JOYJNKYKAUEEGE-SFHVURJKSA-N 1 1 296.418 3.412 20 30 CGEDMO Cc1sccc1C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000846005633 636128362 /nfs/dbraw/zinc/12/83/62/636128362.db2.gz ATHRWDFPGTVLOQ-MRXNPFEDSA-N 1 1 286.400 3.094 20 30 CGEDMO CCC[N@@H+](C)C[C@@H]1CCN(c2ccc(C#N)cc2C)C1 ZINC000846751721 636226565 /nfs/dbraw/zinc/22/65/65/636226565.db2.gz JOJJBPHZGDFOQU-INIZCTEOSA-N 1 1 271.408 3.035 20 30 CGEDMO C=CCCn1cc(C[N@H+](C)C2CCCCCCC2)nn1 ZINC000846789097 636242357 /nfs/dbraw/zinc/24/23/57/636242357.db2.gz NVBLINSMWVKZAU-UHFFFAOYSA-N 1 1 276.428 3.399 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(OCc2ccccc2)nc1 ZINC000846878707 636269068 /nfs/dbraw/zinc/26/90/68/636269068.db2.gz KHLLKYLKJOSUJR-OAHLLOKOSA-N 1 1 280.371 3.114 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(OCc2ccccc2)nc1 ZINC000846878707 636269075 /nfs/dbraw/zinc/26/90/75/636269075.db2.gz KHLLKYLKJOSUJR-OAHLLOKOSA-N 1 1 280.371 3.114 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(-c3ncco3)cc2F)C1 ZINC000847019414 636312413 /nfs/dbraw/zinc/31/24/13/636312413.db2.gz QACCNLPWUVVPAT-CYBMUJFWSA-N 1 1 284.334 3.326 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000847022938 636313502 /nfs/dbraw/zinc/31/35/02/636313502.db2.gz KCERNYWFNURJDU-LSDHHAIUSA-N 1 1 295.386 3.451 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@H](CCOC)c2ccccc2)C1 ZINC000847022039 636314321 /nfs/dbraw/zinc/31/43/21/636314321.db2.gz RLSHSYUVEGPFHI-NVXWUHKLSA-N 1 1 257.377 3.109 20 30 CGEDMO C#C[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2)C1 ZINC000847024468 636315538 /nfs/dbraw/zinc/31/55/38/636315538.db2.gz QUODQXAMBOAFBK-OLZOCXBDSA-N 1 1 290.794 3.012 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2)C1 ZINC000847024468 636315544 /nfs/dbraw/zinc/31/55/44/636315544.db2.gz QUODQXAMBOAFBK-OLZOCXBDSA-N 1 1 290.794 3.012 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000847025681 636316917 /nfs/dbraw/zinc/31/69/17/636316917.db2.gz CQFXWMHVKOZTBF-GJZGRUSLSA-N 1 1 295.386 3.451 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cc(Br)cs2)C1 ZINC000847026426 636317388 /nfs/dbraw/zinc/31/73/88/636317388.db2.gz PJIYHRZVJATQDM-JTQLQIEISA-N 1 1 284.222 3.356 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(Br)cs2)C1 ZINC000847026426 636317392 /nfs/dbraw/zinc/31/73/92/636317392.db2.gz PJIYHRZVJATQDM-JTQLQIEISA-N 1 1 284.222 3.356 20 30 CGEDMO CCCCCCC[N@@H+](C)CCCn1ccnc1C ZINC000130860733 636523274 /nfs/dbraw/zinc/52/32/74/636523274.db2.gz GPFPVHAPBHQOIG-UHFFFAOYSA-N 1 1 251.418 3.484 20 30 CGEDMO CC[C@@H](C)C[N@@H+](C)Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000131156274 636565235 /nfs/dbraw/zinc/56/52/35/636565235.db2.gz DNTTYKWLRIPOGY-CYBMUJFWSA-N 1 1 297.406 3.061 20 30 CGEDMO Cc1ccc(F)cc1-c1noc([C@@H]([NH3+])CCCCC#N)n1 ZINC000848621129 636620869 /nfs/dbraw/zinc/62/08/69/636620869.db2.gz JUJXSUWORNPZTA-ZDUSSCGKSA-N 1 1 288.326 3.268 20 30 CGEDMO N#CCCCC[C@@H]([NH3+])c1nc(-c2ccc(F)cc2F)no1 ZINC000848629421 636624454 /nfs/dbraw/zinc/62/44/54/636624454.db2.gz BCFHZNFJFQJOQJ-GFCCVEGCSA-N 1 1 292.289 3.099 20 30 CGEDMO N#Cc1c(Cl)nsc1N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848783976 636657721 /nfs/dbraw/zinc/65/77/21/636657721.db2.gz JAWRQMOPHJLYIL-MNOVXSKESA-N 1 1 296.827 3.097 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000848924488 636697910 /nfs/dbraw/zinc/69/79/10/636697910.db2.gz UADVEIDDIJYVNT-AWEZNQCLSA-N 1 1 250.345 3.080 20 30 CGEDMO C=CCC1(O)CCN(c2cc[nH+]c3ccsc32)CC1 ZINC000884724272 637136957 /nfs/dbraw/zinc/13/69/57/637136957.db2.gz OHMWFEZIYOPCNU-UHFFFAOYSA-N 1 1 274.389 3.204 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@@H]2c2ccccc2)CCC1 ZINC000885929768 637316989 /nfs/dbraw/zinc/31/69/89/637316989.db2.gz ULMLFBZYIZARIU-IAGOWNOFSA-N 1 1 284.403 3.268 20 30 CGEDMO CC(C)[N@H+](Cc1ccccc1)C[C@@H](O)CC1(C#N)CCC1 ZINC000885948833 637326222 /nfs/dbraw/zinc/32/62/22/637326222.db2.gz GXBHUSFMRKBXHM-KRWDZBQOSA-N 1 1 286.419 3.342 20 30 CGEDMO C[N@@H+](C[C@@H](O)CC1(C#N)CCC1)[C@H]1CCc2ccccc21 ZINC000885949114 637326684 /nfs/dbraw/zinc/32/66/84/637326684.db2.gz OLPKVEKNTRTILX-RDJZCZTQSA-N 1 1 284.403 3.051 20 30 CGEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@H]2c2ccsc2)CCC1 ZINC000885953768 637328699 /nfs/dbraw/zinc/32/86/99/637328699.db2.gz FMHNRGOMJLHSOI-GJZGRUSLSA-N 1 1 290.432 3.330 20 30 CGEDMO CC[N@@H+](C[C@@H]1C[C@]12CCOC2)[C@@H](C)c1ccc(C#N)cc1 ZINC000885965962 637336440 /nfs/dbraw/zinc/33/64/40/637336440.db2.gz ZHIOQDCWSBXABG-WBAXXEDZSA-N 1 1 284.403 3.368 20 30 CGEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1C[C@]12CCOC2 ZINC000885970791 637338046 /nfs/dbraw/zinc/33/80/46/637338046.db2.gz KLGWGCQMYWSNDB-OALUTQOASA-N 1 1 298.430 3.443 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC3(C2)CCCCC3)CCC1 ZINC000886020810 637369561 /nfs/dbraw/zinc/36/95/61/637369561.db2.gz IQSMXVPNKZXYHO-OAHLLOKOSA-N 1 1 276.424 3.087 20 30 CGEDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886036624 637379271 /nfs/dbraw/zinc/37/92/71/637379271.db2.gz APDNKTDJZIGZNF-NXHRZFHOSA-N 1 1 298.430 3.309 20 30 CGEDMO CC(C)CC[C@H]1CCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886044065 637383858 /nfs/dbraw/zinc/38/38/58/637383858.db2.gz PPLCKBLESYNZAM-HZPDHXFCSA-N 1 1 278.440 3.332 20 30 CGEDMO CC[N@@H+](C[C@H](O)CC1(C#N)CCC1)[C@H]1CCCC[C@H]1C ZINC000886157809 637440999 /nfs/dbraw/zinc/44/09/99/637440999.db2.gz LMBLLUXEGAOFAG-OAGGEKHMSA-N 1 1 278.440 3.332 20 30 CGEDMO CC[N@@H+](C[C@H](O)CC1(C#N)CCC1)[C@@H]1CCCC[C@H]1C ZINC000886157808 637441236 /nfs/dbraw/zinc/44/12/36/637441236.db2.gz LMBLLUXEGAOFAG-BZUAXINKSA-N 1 1 278.440 3.332 20 30 CGEDMO C[C@@H](C1CCCCC1)[N@@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000886174579 637449283 /nfs/dbraw/zinc/44/92/83/637449283.db2.gz DNNDCCSDXAHSBT-GOEBONIOSA-N 1 1 278.440 3.332 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@H]1C[C@@]12CCOC2 ZINC000886181414 637449901 /nfs/dbraw/zinc/44/99/01/637449901.db2.gz LBCBLVHOZLTNGQ-QZTJIDSGSA-N 1 1 271.404 3.491 20 30 CGEDMO C#CCOCC[N@H+](CCC)[C@@H](C)c1ccccc1OC ZINC000851740457 637488905 /nfs/dbraw/zinc/48/89/05/637488905.db2.gz XUSKMELMQMYNFV-HNNXBMFYSA-N 1 1 275.392 3.118 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(-c3ccc(OC)cc3)no2)C1 ZINC000886353601 637509958 /nfs/dbraw/zinc/50/99/58/637509958.db2.gz MCOYMJNAMXMKFC-CQSZACIVSA-N 1 1 296.370 3.195 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000886355098 637511102 /nfs/dbraw/zinc/51/11/02/637511102.db2.gz CBUZIIPBIUXIJR-ZDUSSCGKSA-N 1 1 284.334 3.326 20 30 CGEDMO N#Cc1ccc(CC[N@@H+]2CCc3c(F)cccc3C2)cc1 ZINC000851869361 637527083 /nfs/dbraw/zinc/52/70/83/637527083.db2.gz FDXUDVZGTHELOS-UHFFFAOYSA-N 1 1 280.346 3.298 20 30 CGEDMO C#C[C@](C)(CC)[NH2+]Cc1nc(C(F)(F)F)cs1 ZINC000852101339 637595434 /nfs/dbraw/zinc/59/54/34/637595434.db2.gz PESSSWRPLPSLGJ-SNVBAGLBSA-N 1 1 262.300 3.053 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+]Cc1ccn(CCc2ccccc2)n1 ZINC000852103492 637597457 /nfs/dbraw/zinc/59/74/57/637597457.db2.gz JJKLPUMYCDQCAB-SFHVURJKSA-N 1 1 281.403 3.017 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2OC(F)F)C1 ZINC000852216332 637619357 /nfs/dbraw/zinc/61/93/57/637619357.db2.gz ZVUAJQHDSJSSIO-LLVKDONJSA-N 1 1 283.293 3.272 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2OC(F)F)C1 ZINC000852216332 637619361 /nfs/dbraw/zinc/61/93/61/637619361.db2.gz ZVUAJQHDSJSSIO-LLVKDONJSA-N 1 1 283.293 3.272 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](C[C@@H]2CCc3ccccc32)C1 ZINC000852319510 637633363 /nfs/dbraw/zinc/63/33/63/637633363.db2.gz NXUCFTHGTATKSL-ZBFHGGJFSA-N 1 1 254.377 3.342 20 30 CGEDMO Cc1cccc(C[N@@H+]2CCC[C@@](C#N)(c3ccccn3)C2)c1 ZINC000852326089 637635249 /nfs/dbraw/zinc/63/52/49/637635249.db2.gz KVNBOYOTLUMCOK-IBGZPJMESA-N 1 1 291.398 3.447 20 30 CGEDMO Cc1cccc(C[N@H+]2CCC[C@@](C#N)(c3ccccn3)C2)c1 ZINC000852326089 637635251 /nfs/dbraw/zinc/63/52/51/637635251.db2.gz KVNBOYOTLUMCOK-IBGZPJMESA-N 1 1 291.398 3.447 20 30 CGEDMO C=CC[N@@H+](Cc1cc(C)nc(Cl)c1)[C@H](C)COC ZINC000852356444 637641317 /nfs/dbraw/zinc/64/13/17/637641317.db2.gz FEWMIKIUPDTFES-GFCCVEGCSA-N 1 1 268.788 3.066 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886681068 637648870 /nfs/dbraw/zinc/64/88/70/637648870.db2.gz RKDKTPNJZOEPCQ-RHSMWYFYSA-N 1 1 292.386 3.289 20 30 CGEDMO C#CCCC[N@H+](C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000852514980 637671440 /nfs/dbraw/zinc/67/14/40/637671440.db2.gz NKWYUIBCTXYNOM-CYBMUJFWSA-N 1 1 286.202 3.372 20 30 CGEDMO C=CC[N@@H+](C[C@@H](O)c1ccc(F)cc1F)C(C)(C)C ZINC000852553717 637677325 /nfs/dbraw/zinc/67/73/25/637677325.db2.gz TTXYLCNUGLCWCP-CQSZACIVSA-N 1 1 269.335 3.285 20 30 CGEDMO N#CC1(CC[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)CCCCC1 ZINC000886818919 637706477 /nfs/dbraw/zinc/70/64/77/637706477.db2.gz LSMUKPSWJLWCMD-HZPDHXFCSA-N 1 1 276.424 3.351 20 30 CGEDMO COCC[N@@H+](CCCCC#N)Cc1ccc(C)c(C)c1 ZINC000887108721 637752822 /nfs/dbraw/zinc/75/28/22/637752822.db2.gz SSRLAKYNKGFOGP-UHFFFAOYSA-N 1 1 274.408 3.446 20 30 CGEDMO N#CCCCC[N@H+]1Cc2ccccc2OC2(CCC2)C1 ZINC000887151359 637765856 /nfs/dbraw/zinc/76/58/56/637765856.db2.gz UDMLQCRKTXZOCE-UHFFFAOYSA-N 1 1 270.376 3.498 20 30 CGEDMO CO[C@@H](C=[NH+]n1cnnc1-c1ccccc1)C1CCCCC1 ZINC000853283720 637800609 /nfs/dbraw/zinc/80/06/09/637800609.db2.gz BCQNVRSDVLKVBU-INIZCTEOSA-N 1 1 298.390 3.374 20 30 CGEDMO CCc1[nH+]c(C=NN2CCCC[C@H]2C)c2ccccn21 ZINC000853379874 637829068 /nfs/dbraw/zinc/82/90/68/637829068.db2.gz MYKYWYOVTUVHDA-CYBMUJFWSA-N 1 1 270.380 3.105 20 30 CGEDMO C=CC1CC[NH+](Cn2ncc(Cl)c2C2CC2)CC1 ZINC000853493610 637855790 /nfs/dbraw/zinc/85/57/90/637855790.db2.gz FQTGFLLZFQRRRH-UHFFFAOYSA-N 1 1 265.788 3.269 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cn2cnc(-c3ccccc3)n2)C1 ZINC000853536601 637864438 /nfs/dbraw/zinc/86/44/38/637864438.db2.gz FNGWNXJGDCJUQB-OAHLLOKOSA-N 1 1 282.391 3.191 20 30 CGEDMO Cn1c[nH+]cc1CCON=Cc1ccccc1C(F)(F)F ZINC000853640353 637878867 /nfs/dbraw/zinc/87/88/67/637878867.db2.gz BLUFUCOAJHZEIL-UHFFFAOYSA-N 1 1 297.280 3.032 20 30 CGEDMO C#C[C@H]([NH2+]Cc1csc(C(C)(C)C)n1)C(C)C ZINC000302466082 637900672 /nfs/dbraw/zinc/90/06/72/637900672.db2.gz YYDSXEXZWNOMLU-LBPRGKRZSA-N 1 1 250.411 3.188 20 30 CGEDMO C=CC[C@H](C)NC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857128134 638459880 /nfs/dbraw/zinc/45/98/80/638459880.db2.gz CJDHIAUHJLNSLF-WMLDXEAASA-N 1 1 286.419 3.190 20 30 CGEDMO C=CC[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@H](N)C12CCC2 ZINC000925687968 638568882 /nfs/dbraw/zinc/56/88/82/638568882.db2.gz CZLBEDUVVZCOEP-IKGGRYGDSA-N 1 1 270.420 3.033 20 30 CGEDMO N#CCC[C@@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1ccccc1 ZINC000857857103 638581910 /nfs/dbraw/zinc/58/19/10/638581910.db2.gz AAKAZNHXDKYNOG-HZPDHXFCSA-N 1 1 280.375 3.422 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858024214 638620698 /nfs/dbraw/zinc/62/06/98/638620698.db2.gz VSJXWEQEZPAZCY-YOEHRIQHSA-N 1 1 299.418 3.494 20 30 CGEDMO Cc1cccc([C@H]([NH2+]CCCC#N)c2ccccn2)c1 ZINC000926133398 638717910 /nfs/dbraw/zinc/71/79/10/638717910.db2.gz RVTYGXNCGBGVPC-KRWDZBQOSA-N 1 1 265.360 3.373 20 30 CGEDMO C=CCn1ncc2ccc(N[C@H]3C[C@@H](C)[N@H+](C4CC4)C3)cc21 ZINC000927068874 638837542 /nfs/dbraw/zinc/83/75/42/638837542.db2.gz ZNFLPZMBEFGUJF-CJNGLKHVSA-N 1 1 296.418 3.259 20 30 CGEDMO C[C@@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1ccc(C#N)c(F)c1 ZINC000927107671 638842973 /nfs/dbraw/zinc/84/29/73/638842973.db2.gz HZJCHXAWLJRLCF-LLVKDONJSA-N 1 1 298.365 3.159 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000034673880 638865835 /nfs/dbraw/zinc/86/58/35/638865835.db2.gz PWOQIQQIIVDSIT-CQSZACIVSA-N 1 1 258.365 3.202 20 30 CGEDMO C[N@@H+](CCCc1cccnc1)Cc1cccc(C#N)c1 ZINC000929162890 638904037 /nfs/dbraw/zinc/90/40/37/638904037.db2.gz VDCYABWONFJGRB-UHFFFAOYSA-N 1 1 265.360 3.018 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@H]1CCCC2(CCC2)O1 ZINC000929162253 638904208 /nfs/dbraw/zinc/90/42/08/638904208.db2.gz JPWSVUAYGNWFFT-QGZVFWFLSA-N 1 1 284.403 3.482 20 30 CGEDMO CCc1onc(C)c1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000929164923 638904616 /nfs/dbraw/zinc/90/46/16/638904616.db2.gz PMHURZNTUFSDCQ-UHFFFAOYSA-N 1 1 269.348 3.049 20 30 CGEDMO CCc1onc(C)c1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000929164923 638904618 /nfs/dbraw/zinc/90/46/18/638904618.db2.gz PMHURZNTUFSDCQ-UHFFFAOYSA-N 1 1 269.348 3.049 20 30 CGEDMO C[C@H]1C[N@H+](Cc2cncc(C#N)c2)Cc2ccccc21 ZINC000929217431 638909875 /nfs/dbraw/zinc/90/98/75/638909875.db2.gz BDUGWRURAXUZIU-ZDUSSCGKSA-N 1 1 263.344 3.073 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cncc(C#N)c2)Cc2ccccc21 ZINC000929217431 638909877 /nfs/dbraw/zinc/90/98/77/638909877.db2.gz BDUGWRURAXUZIU-ZDUSSCGKSA-N 1 1 263.344 3.073 20 30 CGEDMO CC(C)N1CCC([N@H+](C)CC2CCC(C#N)CC2)CC1 ZINC000929471711 638926974 /nfs/dbraw/zinc/92/69/74/638926974.db2.gz YGKWXICJTJFYLX-UHFFFAOYSA-N 1 1 277.456 3.121 20 30 CGEDMO CC(C)N1CCC([N@@H+](C)CC2CCC(C#N)CC2)CC1 ZINC000929471711 638926976 /nfs/dbraw/zinc/92/69/76/638926976.db2.gz YGKWXICJTJFYLX-UHFFFAOYSA-N 1 1 277.456 3.121 20 30 CGEDMO N#CC1(CCCC[N@@H+]2CC[C@@H](N3CCCC3)C2)CCC1 ZINC000929486952 638927998 /nfs/dbraw/zinc/92/79/98/638927998.db2.gz ZLSRGOMPQVHFKJ-MRXNPFEDSA-N 1 1 275.440 3.021 20 30 CGEDMO N#CC1(CCCC[N@H+]2CC[C@@H](N3CCCC3)C2)CCC1 ZINC000929486952 638928001 /nfs/dbraw/zinc/92/80/01/638928001.db2.gz ZLSRGOMPQVHFKJ-MRXNPFEDSA-N 1 1 275.440 3.021 20 30 CGEDMO CC(C)(C)C[N@@H+](CCO)CCCCC1(C#N)CCC1 ZINC000929601581 638933554 /nfs/dbraw/zinc/93/35/54/638933554.db2.gz OMEGWOMFWWFAAP-UHFFFAOYSA-N 1 1 266.429 3.191 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCSC[C@H]1C ZINC000929686569 638940802 /nfs/dbraw/zinc/94/08/02/638940802.db2.gz BCRIJKFPRIKCCS-CYBMUJFWSA-N 1 1 260.406 3.112 20 30 CGEDMO CSCC[C@H](C)[N@@H+](C)CC1CCC(C#N)CC1 ZINC000929986963 638966362 /nfs/dbraw/zinc/96/63/62/638966362.db2.gz MLMYLBWZQOSFCB-HSBZDZAISA-N 1 1 254.443 3.390 20 30 CGEDMO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000930266946 638987133 /nfs/dbraw/zinc/98/71/33/638987133.db2.gz DDAODASQFQBGDT-BLLLJJGKSA-N 1 1 292.810 3.337 20 30 CGEDMO C[C@H]1C[C@H](N2CCCC2)C[N@@H+]1CCCCC1(C#N)CCC1 ZINC000930456941 639002676 /nfs/dbraw/zinc/00/26/76/639002676.db2.gz KDIUXZYYCHHTHE-IRXDYDNUSA-N 1 1 289.467 3.409 20 30 CGEDMO C[C@H]1C[C@H](N2CCCC2)C[N@H+]1CCCCC1(C#N)CCC1 ZINC000930456941 639002684 /nfs/dbraw/zinc/00/26/84/639002684.db2.gz KDIUXZYYCHHTHE-IRXDYDNUSA-N 1 1 289.467 3.409 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](O)C23CCCC3)c1 ZINC000930570446 639028605 /nfs/dbraw/zinc/02/86/05/639028605.db2.gz GWRXYXFRNFHOKC-HNNXBMFYSA-N 1 1 290.794 3.091 20 30 CGEDMO C=C[C@H](CC)CC(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000930740901 639062500 /nfs/dbraw/zinc/06/25/00/639062500.db2.gz DBZNTKKUZODNLS-OAHLLOKOSA-N 1 1 297.402 3.399 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCC[C@H](CC(F)(F)F)C2)c1 ZINC000930748257 639063715 /nfs/dbraw/zinc/06/37/15/639063715.db2.gz JADNUFOIFNLBCL-LLVKDONJSA-N 1 1 283.297 3.118 20 30 CGEDMO N#Cc1cncc(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)c1 ZINC000930748257 639063720 /nfs/dbraw/zinc/06/37/20/639063720.db2.gz JADNUFOIFNLBCL-LLVKDONJSA-N 1 1 283.297 3.118 20 30 CGEDMO CC[N@@H+](CCOc1ccccc1C)Cc1cncc(C#N)c1 ZINC000930753342 639064621 /nfs/dbraw/zinc/06/46/21/639064621.db2.gz YWYUIAGQWAFIKP-UHFFFAOYSA-N 1 1 295.386 3.163 20 30 CGEDMO CCc1ccc2ccccc2c1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000930819033 639072954 /nfs/dbraw/zinc/07/29/54/639072954.db2.gz QWTBOJWVDOIMKS-IBGZPJMESA-N 1 1 294.398 3.253 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](C2CC(OCc3ccccc3)C2)C1 ZINC000930924836 639087498 /nfs/dbraw/zinc/08/74/98/639087498.db2.gz WVSKCJFXZUFGSD-FAEJEUNOSA-N 1 1 284.403 3.360 20 30 CGEDMO C[C@@H](CO)[C@@H]1CCCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000930966848 639090847 /nfs/dbraw/zinc/09/08/47/639090847.db2.gz ZMKGLVMDQNUZIL-HOTGVXAUSA-N 1 1 278.440 3.333 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](CCOC2CCSCC2)C1 ZINC000930963657 639090871 /nfs/dbraw/zinc/09/08/71/639090871.db2.gz WFYGXBPZKMCAON-CQSZACIVSA-N 1 1 269.454 3.187 20 30 CGEDMO C[C@@H]1CC[N@@H+](CCCCC2(C#N)CCC2)C[C@H](C)O1 ZINC000931021880 639099506 /nfs/dbraw/zinc/09/95/06/639099506.db2.gz PGYYTRHOIPSFNI-CABCVRRESA-N 1 1 264.413 3.350 20 30 CGEDMO COc1cccc2c1C[N@@H+](CC1CCC(C#N)CC1)C2 ZINC000931261825 639129072 /nfs/dbraw/zinc/12/90/72/639129072.db2.gz HHVCQPNMGYVKKP-UHFFFAOYSA-N 1 1 270.376 3.341 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2coc(-c3ccccc3F)n2)C1 ZINC000859336414 639130540 /nfs/dbraw/zinc/13/05/40/639130540.db2.gz OUPOGFZORKVLTL-ZDUSSCGKSA-N 1 1 284.334 3.326 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2coc(-c3ccccc3F)n2)C1 ZINC000859336414 639130544 /nfs/dbraw/zinc/13/05/44/639130544.db2.gz OUPOGFZORKVLTL-ZDUSSCGKSA-N 1 1 284.334 3.326 20 30 CGEDMO CC1(C)CC(C[N@@H+]2CCC[C@@](C#N)(c3ccccn3)C2)C1 ZINC000859345466 639131719 /nfs/dbraw/zinc/13/17/19/639131719.db2.gz FHAOFSUDHSFSIR-SFHVURJKSA-N 1 1 283.419 3.375 20 30 CGEDMO CC1(C)CC(C[N@H+]2CCC[C@@](C#N)(c3ccccn3)C2)C1 ZINC000859345466 639131721 /nfs/dbraw/zinc/13/17/21/639131721.db2.gz FHAOFSUDHSFSIR-SFHVURJKSA-N 1 1 283.419 3.375 20 30 CGEDMO C/C=C/C[C@@H]1CCC[N@@H+](Cc2cncc(C#N)c2)C1 ZINC000931337445 639137499 /nfs/dbraw/zinc/13/74/99/639137499.db2.gz JXZQLKFFKJFEQB-BAABZTOOSA-N 1 1 255.365 3.131 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(C)nc2Cl)C1 ZINC000859445966 639143327 /nfs/dbraw/zinc/14/33/27/639143327.db2.gz RUUQNFUOEMRDMU-GFCCVEGCSA-N 1 1 250.773 3.441 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000931474744 639157288 /nfs/dbraw/zinc/15/72/88/639157288.db2.gz IEGQJMPRRCLBRW-RDJZCZTQSA-N 1 1 267.376 3.299 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000931474744 639157292 /nfs/dbraw/zinc/15/72/92/639157292.db2.gz IEGQJMPRRCLBRW-RDJZCZTQSA-N 1 1 267.376 3.299 20 30 CGEDMO Cc1cc(C)nc(C[N@@H+](C)CCc2cccc(C#N)c2)c1 ZINC000931508421 639162606 /nfs/dbraw/zinc/16/26/06/639162606.db2.gz FEQOKMFZJOSQAO-UHFFFAOYSA-N 1 1 279.387 3.245 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000859609852 639173196 /nfs/dbraw/zinc/17/31/96/639173196.db2.gz CDNIUCFEGUZGHL-PWSUYJOCSA-N 1 1 273.804 3.039 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000859609852 639173202 /nfs/dbraw/zinc/17/32/02/639173202.db2.gz CDNIUCFEGUZGHL-PWSUYJOCSA-N 1 1 273.804 3.039 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](CCCCOc2ccccc2)C1 ZINC000932156462 639277697 /nfs/dbraw/zinc/27/76/97/639277697.db2.gz FSYWUOZUFAWTJB-HNNXBMFYSA-N 1 1 258.365 3.081 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](CCCCOc2ccccc2)C1 ZINC000932156462 639277704 /nfs/dbraw/zinc/27/77/04/639277704.db2.gz FSYWUOZUFAWTJB-HNNXBMFYSA-N 1 1 258.365 3.081 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](C[C@@H]2CCc3ccccc3C2)C1 ZINC000932153682 639278149 /nfs/dbraw/zinc/27/81/49/639278149.db2.gz QLKKKKKNCTYAGQ-HUUCEWRRSA-N 1 1 254.377 3.027 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000932200572 639296624 /nfs/dbraw/zinc/29/66/24/639296624.db2.gz GGCMWAAVKCUZKH-ZDUSSCGKSA-N 1 1 277.437 3.337 20 30 CGEDMO C#CC[N@H+](Cc1cc(Cl)nc(Cl)c1)C(C)C ZINC000932390405 639324533 /nfs/dbraw/zinc/32/45/33/639324533.db2.gz LRWOVKLESPXLGZ-UHFFFAOYSA-N 1 1 257.164 3.232 20 30 CGEDMO C#CC[N@@H+](Cc1cc(Cl)nc(Cl)c1)C(C)C ZINC000932390405 639324543 /nfs/dbraw/zinc/32/45/43/639324543.db2.gz LRWOVKLESPXLGZ-UHFFFAOYSA-N 1 1 257.164 3.232 20 30 CGEDMO C#CC[N@H+](CCC(=O)Nc1ccccc1Cl)C(C)(C)C ZINC000932463331 639337835 /nfs/dbraw/zinc/33/78/35/639337835.db2.gz DMQCNKPVZLFBEF-UHFFFAOYSA-N 1 1 292.810 3.402 20 30 CGEDMO C#CC[N@@H+](Cc1cnc(C)o1)[C@@H]1CCCc2ccccc21 ZINC000933420305 639448727 /nfs/dbraw/zinc/44/87/27/639448727.db2.gz NKTABYZSHZQBQC-GOSISDBHSA-N 1 1 280.371 3.496 20 30 CGEDMO C#CC[N@H+](Cc1cnc(C)o1)[C@@H]1CCCc2ccccc21 ZINC000933420305 639448733 /nfs/dbraw/zinc/44/87/33/639448733.db2.gz NKTABYZSHZQBQC-GOSISDBHSA-N 1 1 280.371 3.496 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc2c(c1)CCO2 ZINC000933492672 639455439 /nfs/dbraw/zinc/45/54/39/639455439.db2.gz FNODOKRLJIOASK-GFCCVEGCSA-N 1 1 296.345 3.483 20 30 CGEDMO Cc1noc([C@@H](C)[NH+]2CCC(c3ccc(C#N)cc3)CC2)n1 ZINC000933614934 639470425 /nfs/dbraw/zinc/47/04/25/639470425.db2.gz YFIDJRKWQCLQHN-GFCCVEGCSA-N 1 1 296.374 3.190 20 30 CGEDMO C#CCCCCC[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933633398 639471849 /nfs/dbraw/zinc/47/18/49/639471849.db2.gz WSBRIJMJWRHSMR-SFHVURJKSA-N 1 1 282.387 3.125 20 30 CGEDMO O=C1C=COC2(CC[NH+](Cc3ccc(Cl)s3)CC2)C1 ZINC000933647449 639473842 /nfs/dbraw/zinc/47/38/42/639473842.db2.gz AXERISOCSUDNKF-UHFFFAOYSA-N 1 1 297.807 3.239 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCCSC[C@@H]1C1CC1 ZINC000933917268 639508161 /nfs/dbraw/zinc/50/81/61/639508161.db2.gz IMVOQJUDPKRZCC-CYBMUJFWSA-N 1 1 252.427 3.144 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCCSC[C@@H]2C2CC2)c1 ZINC000933919092 639508692 /nfs/dbraw/zinc/50/86/92/639508692.db2.gz ZKILYHMWJWHGEN-MRXNPFEDSA-N 1 1 290.407 3.415 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CC[C@H](Cc2nccs2)C1 ZINC000934334189 639586239 /nfs/dbraw/zinc/58/62/39/639586239.db2.gz SUKDOELCJZALLX-MRXNPFEDSA-N 1 1 282.412 3.059 20 30 CGEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2)nc1 ZINC000934344229 639592757 /nfs/dbraw/zinc/59/27/57/639592757.db2.gz XEZSABIQISFUFC-GOSISDBHSA-N 1 1 293.370 3.299 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000934468723 639614203 /nfs/dbraw/zinc/61/42/03/639614203.db2.gz HYIGOFWOMYVAMC-CQSZACIVSA-N 1 1 254.333 3.091 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1ccc(OCC#N)cc1 ZINC000934646639 639649172 /nfs/dbraw/zinc/64/91/72/639649172.db2.gz RDNSEUHHBYHSOM-UHFFFAOYSA-N 1 1 258.365 3.377 20 30 CGEDMO C=CCCC[N@@H+](CC)Cc1noc(-c2cncc(C)c2)n1 ZINC000934648345 639650249 /nfs/dbraw/zinc/65/02/49/639650249.db2.gz YAMVWWUHAWOLLH-UHFFFAOYSA-N 1 1 286.379 3.228 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1noc(-c2cncc(C)c2)n1 ZINC000934648345 639650260 /nfs/dbraw/zinc/65/02/60/639650260.db2.gz YAMVWWUHAWOLLH-UHFFFAOYSA-N 1 1 286.379 3.228 20 30 CGEDMO C=CCCC[N@@H+](CC)Cc1nc(CCCC)no1 ZINC000934649902 639650660 /nfs/dbraw/zinc/65/06/60/639650660.db2.gz DYQCLXVSDJSAJP-UHFFFAOYSA-N 1 1 251.374 3.200 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1nc(CCCC)no1 ZINC000934649902 639650667 /nfs/dbraw/zinc/65/06/67/639650667.db2.gz DYQCLXVSDJSAJP-UHFFFAOYSA-N 1 1 251.374 3.200 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000934873314 639693444 /nfs/dbraw/zinc/69/34/44/639693444.db2.gz BUZCPXXGEATCOQ-SJORKVTESA-N 1 1 299.418 3.468 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000934873312 639693967 /nfs/dbraw/zinc/69/39/67/639693967.db2.gz BUZCPXXGEATCOQ-IAGOWNOFSA-N 1 1 299.418 3.468 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N2CC[NH+](C3CC3)CC2)c1 ZINC000934877640 639696037 /nfs/dbraw/zinc/69/60/37/639696037.db2.gz RWRMFJUMYQTJTP-UHFFFAOYSA-N 1 1 285.391 3.032 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N2CCC[N@H+](CC)CC2)c1 ZINC000934878635 639696228 /nfs/dbraw/zinc/69/62/28/639696228.db2.gz OBWUZRBRTJPKGE-UHFFFAOYSA-N 1 1 287.407 3.279 20 30 CGEDMO C=CC1(CC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)CCCCC1 ZINC000935311529 639785348 /nfs/dbraw/zinc/78/53/48/639785348.db2.gz DGSCOGKAMXJNCK-HNNXBMFYSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000935314859 639787560 /nfs/dbraw/zinc/78/75/60/639787560.db2.gz GUYKXMDTYWLRNG-XHSDSOJGSA-N 1 1 292.467 3.358 20 30 CGEDMO C#CC[N@H+](Cc1ncc(C)c(OC)c1C)C1CCCC1 ZINC000155899536 639956066 /nfs/dbraw/zinc/95/60/66/639956066.db2.gz SFGXTSVTPLYHAE-UHFFFAOYSA-N 1 1 272.392 3.085 20 30 CGEDMO CC(C)CC[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC000048336853 640049277 /nfs/dbraw/zinc/04/92/77/640049277.db2.gz KYPUNLTWPKGNNQ-UHFFFAOYSA-N 1 1 260.381 3.305 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)nc1)[C@@H]1CCc2ccccc21 ZINC000189278238 640184076 /nfs/dbraw/zinc/18/40/76/640184076.db2.gz YMEQQUOWPYAMCY-QGZVFWFLSA-N 1 1 280.346 3.343 20 30 CGEDMO C#CC[N@H+](Cc1ccc(F)nc1)[C@@H]1CCc2ccccc21 ZINC000189278238 640184081 /nfs/dbraw/zinc/18/40/81/640184081.db2.gz YMEQQUOWPYAMCY-QGZVFWFLSA-N 1 1 280.346 3.343 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CC(N)=NOCc1ccccc1Cl ZINC000078639419 640329384 /nfs/dbraw/zinc/32/93/84/640329384.db2.gz MSPARARQXVCSKN-LBPRGKRZSA-N 1 1 295.814 3.003 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192054719 640346212 /nfs/dbraw/zinc/34/62/12/640346212.db2.gz AXAIFQFTVGGYNK-HNNXBMFYSA-N 1 1 292.423 3.124 20 30 CGEDMO CCCCC(N)=[NH+]OCc1ncc(-c2ccc(F)cc2)o1 ZINC000194346104 640527014 /nfs/dbraw/zinc/52/70/14/640527014.db2.gz KBJSAGXUERTYPN-UHFFFAOYSA-N 1 1 291.326 3.460 20 30 CGEDMO CC[C@H](C)C[N@@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000245549957 640626411 /nfs/dbraw/zinc/62/64/11/640626411.db2.gz ZULUKXUBBZHJAH-UONOGXRCSA-N 1 1 260.381 3.455 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2cc(C)oc2C)C1 ZINC001006705331 640936551 /nfs/dbraw/zinc/93/65/51/640936551.db2.gz VGMDICUVSHUNBF-OAHLLOKOSA-N 1 1 290.407 3.057 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001007622207 640943339 /nfs/dbraw/zinc/94/33/39/640943339.db2.gz TVXGUPLIEWZSJR-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C[C@H]2CC=CCC2)C1 ZINC001008205118 640948525 /nfs/dbraw/zinc/94/85/25/640948525.db2.gz WWLZOUQTJSQLQA-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C)c2ccsc2)C1 ZINC001008496402 640952526 /nfs/dbraw/zinc/95/25/26/640952526.db2.gz CXSASJNQNKNTCZ-HIFRSBDPSA-N 1 1 292.448 3.008 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC23CCCC3)C1 ZINC001009105736 640956468 /nfs/dbraw/zinc/95/64/68/640956468.db2.gz SLQBBIGJALOLCC-HZPDHXFCSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001009748458 640962921 /nfs/dbraw/zinc/96/29/21/640962921.db2.gz HBRUPEQOMPGERP-CQSZACIVSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)C(C)(C)C2CCCC2)C1 ZINC001014750157 640975056 /nfs/dbraw/zinc/97/50/56/640975056.db2.gz UCZPWYPYINOASY-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C2CCCCCCC2)C1 ZINC001015215624 640978368 /nfs/dbraw/zinc/97/83/68/640978368.db2.gz MAPQWZHVZRMJIR-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(CCC)cc2)C1 ZINC001015630351 640983085 /nfs/dbraw/zinc/98/30/85/640983085.db2.gz ZEJHUOABQUWIJX-QGZVFWFLSA-N 1 1 286.419 3.019 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cccc(C3CCC3)c2)C1 ZINC001015995278 640990092 /nfs/dbraw/zinc/99/00/92/640990092.db2.gz RNTQOKHBPWWWEB-SFHVURJKSA-N 1 1 298.430 3.334 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2CCC(C(C)(C)C)CC2)C1 ZINC001016161504 640992760 /nfs/dbraw/zinc/99/27/60/640992760.db2.gz VSGHMEHPQJEFLS-GPANFISMSA-N 1 1 292.467 3.215 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc([C@@H](C)CC)cc2)C1 ZINC001016344444 640995597 /nfs/dbraw/zinc/99/55/97/640995597.db2.gz CRALAQBBMHJMRQ-MAUKXSAKSA-N 1 1 298.430 3.028 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[C@H](C[N@@H+](C)C(C)C)C1 ZINC001017202482 641009525 /nfs/dbraw/zinc/00/95/25/641009525.db2.gz YFPBLEMYTUMREG-WBVHZDCISA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)CNc1ncnc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001155655116 805600025 /nfs/dbraw/zinc/60/00/25/805600025.db2.gz QHWYDDBXFTWIGM-UHFFFAOYSA-N 1 1 294.402 3.023 20 30 CGEDMO C=C(C)CNc1ncnc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001155655116 805600032 /nfs/dbraw/zinc/60/00/32/805600032.db2.gz QHWYDDBXFTWIGM-UHFFFAOYSA-N 1 1 294.402 3.023 20 30 CGEDMO CNc1ccc(CNc2[nH+]ccc3[nH]cc(C#N)c32)cc1 ZINC001156142208 805659455 /nfs/dbraw/zinc/65/94/55/805659455.db2.gz NFJUBHNTJVVWHY-UHFFFAOYSA-N 1 1 277.331 3.088 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)C1(F)CCCCC1 ZINC001156183249 805664591 /nfs/dbraw/zinc/66/45/91/805664591.db2.gz XIROZIPJZTVRPT-CQSZACIVSA-N 1 1 284.419 3.062 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1cc(C)c(CC)o1 ZINC001156335432 805675488 /nfs/dbraw/zinc/67/54/88/805675488.db2.gz IGESXMWXSLDFEV-CQSZACIVSA-N 1 1 292.423 3.167 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(C2CC2)s1 ZINC001156359082 805677622 /nfs/dbraw/zinc/67/76/22/805677622.db2.gz KPGCQVXEESKJOY-GFCCVEGCSA-N 1 1 292.448 3.252 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1cc(C)ccc1C ZINC001156589785 805717010 /nfs/dbraw/zinc/71/70/10/805717010.db2.gz CBIVNIJOPVRNCQ-MRXNPFEDSA-N 1 1 288.435 3.320 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)C1(C)C(C)(C)C1(C)C ZINC001157358232 805798380 /nfs/dbraw/zinc/79/83/80/805798380.db2.gz WEXMJMQMOKZMBZ-CQSZACIVSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCCN1C(=O)CCC ZINC001157431848 805811688 /nfs/dbraw/zinc/81/16/88/805811688.db2.gz OJJUCBRPSFIUOO-JKSUJKDBSA-N 1 1 280.456 3.454 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)CCCCC ZINC001157540678 805829641 /nfs/dbraw/zinc/82/96/41/805829641.db2.gz KEUMOTITKIDDIO-MRXNPFEDSA-N 1 1 280.456 3.456 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)CC ZINC001157546056 805831087 /nfs/dbraw/zinc/83/10/87/805831087.db2.gz PTCAUAGWCNVCFR-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)/C=C\C(C)(C)C ZINC001157711440 805855987 /nfs/dbraw/zinc/85/59/87/805855987.db2.gz UGZWXYHHJIXJJF-YUQCYMQKSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H](C)SC ZINC001157827875 805879507 /nfs/dbraw/zinc/87/95/07/805879507.db2.gz RMYVEZWCVXPQDD-HUUCEWRRSA-N 1 1 298.496 3.017 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccoc1Cl ZINC001157908342 805902697 /nfs/dbraw/zinc/90/26/97/805902697.db2.gz RIXDCQCQESMNGJ-GFCCVEGCSA-N 1 1 296.798 3.046 20 30 CGEDMO CC(C)C#CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCC(C)C ZINC001157931272 805905294 /nfs/dbraw/zinc/90/52/94/805905294.db2.gz ZPSZKPIOAUGJQJ-QGZVFWFLSA-N 1 1 292.467 3.005 20 30 CGEDMO CCCCCCCCCC[N@@H+](C)C[C@H](O)COCC ZINC001252034619 805977806 /nfs/dbraw/zinc/97/78/06/805977806.db2.gz SCCOYAJFCDVUTR-INIZCTEOSA-N 1 1 273.461 3.456 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)CC(C)C ZINC001158667179 805982150 /nfs/dbraw/zinc/98/21/50/805982150.db2.gz KHHPHBDQLZOUOQ-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC001252130157 806015185 /nfs/dbraw/zinc/01/51/85/806015185.db2.gz MIOUMGHCDBMGQQ-YESZJQIVSA-N 1 1 283.456 3.066 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+](CCOC)C(C)C ZINC001252129050 806015255 /nfs/dbraw/zinc/01/52/55/806015255.db2.gz VPBYPVLYEDTZQE-INIZCTEOSA-N 1 1 273.461 3.455 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCCC(=O)[C@@H](C)C1 ZINC001252123618 806010677 /nfs/dbraw/zinc/01/06/77/806010677.db2.gz KGDSOVQIIKPYLF-HOTGVXAUSA-N 1 1 283.456 3.399 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@H](CO)CC1 ZINC001252123339 806011619 /nfs/dbraw/zinc/01/16/19/806011619.db2.gz GGWYGNRROITZFM-IRXDYDNUSA-N 1 1 285.472 3.192 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001252125808 806014121 /nfs/dbraw/zinc/01/41/21/806014121.db2.gz HDQIWUAVJXXLCV-FZKCQIBNSA-N 1 1 271.420 3.388 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC001252130696 806016993 /nfs/dbraw/zinc/01/69/93/806016993.db2.gz WTCBMKHFLLWUSF-QZTJIDSGSA-N 1 1 296.499 3.126 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC001252130696 806016998 /nfs/dbraw/zinc/01/69/98/806016998.db2.gz WTCBMKHFLLWUSF-QZTJIDSGSA-N 1 1 296.499 3.126 20 30 CGEDMO CCCCCCCC[C@@H](O)C[NH2+]CC(C)(C)CN(C)C ZINC001252135078 806022285 /nfs/dbraw/zinc/02/22/85/806022285.db2.gz XEQIPNAUKQYOPI-MRXNPFEDSA-N 1 1 286.504 3.275 20 30 CGEDMO CCCCCCCC[C@H](O)C[NH2+]Cc1nccc(Cl)n1 ZINC001252139617 806024408 /nfs/dbraw/zinc/02/44/08/806024408.db2.gz KHUUWFZJCNDXOM-ZDUSSCGKSA-N 1 1 299.846 3.331 20 30 CGEDMO C=CCOC[C@H](O)C[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC001252465435 806048379 /nfs/dbraw/zinc/04/83/79/806048379.db2.gz GXTVJXVFHWJGKN-CJNGLKHVSA-N 1 1 295.810 3.040 20 30 CGEDMO C=CCOC[C@@H](O)C[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC001252472903 806048811 /nfs/dbraw/zinc/04/88/11/806048811.db2.gz CFQMDVGKZITEOY-JKSUJKDBSA-N 1 1 295.810 3.040 20 30 CGEDMO C=C[C@@](C)(O)C[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC001252555580 806063628 /nfs/dbraw/zinc/06/36/28/806063628.db2.gz YDTASSDJEJNKFV-CYBMUJFWSA-N 1 1 273.298 3.074 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC001252554791 806064546 /nfs/dbraw/zinc/06/45/46/806064546.db2.gz LTRAWBWUOKUJBX-LSDHHAIUSA-N 1 1 265.784 3.414 20 30 CGEDMO C=C[C@@](C)(O)C[N@@H+]1CCCC[C@H]1c1cccc(OC)c1 ZINC001252555636 806065154 /nfs/dbraw/zinc/06/51/54/806065154.db2.gz ZGEOTGWSNINIQK-DLBZAZTESA-N 1 1 275.392 3.159 20 30 CGEDMO C=C(Cl)C[N@H+]1CC=C(CCNC(=O)CC(C)(C)C)CC1 ZINC001159261070 806067731 /nfs/dbraw/zinc/06/77/31/806067731.db2.gz YCVKJCCIPMTHAT-UHFFFAOYSA-N 1 1 298.858 3.314 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)CC(C)(C)C)CC1 ZINC001159261070 806067739 /nfs/dbraw/zinc/06/77/39/806067739.db2.gz YCVKJCCIPMTHAT-UHFFFAOYSA-N 1 1 298.858 3.314 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccncc1 ZINC001252593531 806078947 /nfs/dbraw/zinc/07/89/47/806078947.db2.gz JHXRDXSKXCBSGN-LJQANCHMSA-N 1 1 296.414 3.411 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[N@H+]1CCC[C@@H](O)C1 ZINC001252979657 806145092 /nfs/dbraw/zinc/14/50/92/806145092.db2.gz MCWQAKMXWLYRGV-DLBZAZTESA-N 1 1 285.472 3.335 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[NH2+]Cc1ncccn1 ZINC001252979722 806145362 /nfs/dbraw/zinc/14/53/62/806145362.db2.gz MTFHEKAQEUULOR-INIZCTEOSA-N 1 1 293.455 3.458 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CCNC(=O)/C=C/C2CC2)CC1 ZINC001159686311 806150969 /nfs/dbraw/zinc/15/09/69/806150969.db2.gz MRNVTEUEHPWZBT-BQYQJAHWSA-N 1 1 288.435 3.057 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)/C(C)=C\C)CC1 ZINC001159760154 806166436 /nfs/dbraw/zinc/16/64/36/806166436.db2.gz MUYWYRSWGUASOJ-PJVYJYFWSA-N 1 1 290.451 3.446 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1C[C@H](F)C[C@H]1C ZINC001253234162 806188150 /nfs/dbraw/zinc/18/81/50/806188150.db2.gz VRPDAAZVMCYINT-KFWWJZLASA-N 1 1 257.393 3.306 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1CC(C)(C)C[C@]1(C)CO ZINC001253233975 806188357 /nfs/dbraw/zinc/18/83/57/806188357.db2.gz RHEDOSFZNQXAOO-SJLPKXTDSA-N 1 1 297.483 3.357 20 30 CGEDMO CC[N@H+]1CCCC[C@@H]1c1ccc(NCCCS)nc1 ZINC001159871581 806189386 /nfs/dbraw/zinc/18/93/86/806189386.db2.gz LCGRBMWNLOQKKT-CQSZACIVSA-N 1 1 279.453 3.360 20 30 CGEDMO N#CCC[N@@H+](C[C@@H](O)c1ccc(F)c(F)c1)C1CCCC1 ZINC001253355857 806208848 /nfs/dbraw/zinc/20/88/48/806208848.db2.gz FGEMJIXRSWDOSZ-MRXNPFEDSA-N 1 1 294.345 3.156 20 30 CGEDMO N#CCC[N@H+](C[C@@H](O)c1ccc(F)c(F)c1)C1CCCC1 ZINC001253355857 806208855 /nfs/dbraw/zinc/20/88/55/806208855.db2.gz FGEMJIXRSWDOSZ-MRXNPFEDSA-N 1 1 294.345 3.156 20 30 CGEDMO C=CCOc1ccccc1[C@@H](C)Nc1ccc(N)c[nH+]1 ZINC001160179285 806232175 /nfs/dbraw/zinc/23/21/75/806232175.db2.gz VYIRQZMFBYDAPR-GFCCVEGCSA-N 1 1 269.348 3.402 20 30 CGEDMO C=C(C)CCC(=O)NCCC1=CC[N@@H+](C/C=C\Cl)CC1 ZINC001160264166 806245467 /nfs/dbraw/zinc/24/54/67/806245467.db2.gz HHDCCNRZXKUWEE-OQFOIZHKSA-N 1 1 296.842 3.234 20 30 CGEDMO N#Cc1ccc(OCCNc2cc(C3CC3)cc[nH+]2)cc1 ZINC001160282829 806249418 /nfs/dbraw/zinc/24/94/18/806249418.db2.gz BLMRJENMNBWMSM-UHFFFAOYSA-N 1 1 279.343 3.322 20 30 CGEDMO CC(C)(Nc1[nH+]ccc2[nH]cc(C#N)c21)c1ccncc1 ZINC001160312418 806255134 /nfs/dbraw/zinc/25/51/34/806255134.db2.gz LAMGBFBLWSESSS-UHFFFAOYSA-N 1 1 277.331 3.177 20 30 CGEDMO C=C[C@H](O)C[N@H+]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC001253586304 806265309 /nfs/dbraw/zinc/26/53/09/806265309.db2.gz LFPQOQAZSQMDAV-UONOGXRCSA-N 1 1 285.309 3.389 20 30 CGEDMO C=C[C@@H](O)C[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC001253586441 806265644 /nfs/dbraw/zinc/26/56/44/806265644.db2.gz MGCAJNAHGKDNSN-KGLIPLIRSA-N 1 1 251.757 3.024 20 30 CGEDMO C=C[C@H](O)C[N@@H+]1CC[C@@H](c2ccc(OC(C)(C)C)cc2)C1 ZINC001253590583 806266772 /nfs/dbraw/zinc/26/67/72/806266772.db2.gz WMOSIOVZMIFZAY-CVEARBPZSA-N 1 1 289.419 3.200 20 30 CGEDMO C=CC(C)(C)C(=O)NCCC1=CC[N@@H+](CCCC)CC1 ZINC001160888332 806317287 /nfs/dbraw/zinc/31/72/87/806317287.db2.gz OQDAOZLNRJCDQL-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C[N@H+](CCC#N)C[C@H](O)C(c1ccccc1)c1ccccc1 ZINC001253914927 806319887 /nfs/dbraw/zinc/31/98/87/806319887.db2.gz PQWWZTYYZFCOTM-SFHVURJKSA-N 1 1 294.398 3.025 20 30 CGEDMO C[N@@H+](CCC#N)C[C@H](O)C(c1ccccc1)c1ccccc1 ZINC001253914927 806319896 /nfs/dbraw/zinc/31/98/96/806319896.db2.gz PQWWZTYYZFCOTM-SFHVURJKSA-N 1 1 294.398 3.025 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)C[C@H]2CC[C@H](C)C2)CC1 ZINC001160932953 806322281 /nfs/dbraw/zinc/32/22/81/806322281.db2.gz NZZUXMROCQHHIA-RDJZCZTQSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1nccc2c(F)cccc21 ZINC001160953795 806329397 /nfs/dbraw/zinc/32/93/97/806329397.db2.gz KERVEZLIGXNFQA-ZDUSSCGKSA-N 1 1 285.366 3.436 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1cc(Cl)nc(C)c1C ZINC001160954501 806329498 /nfs/dbraw/zinc/32/94/98/806329498.db2.gz VWJONGVELMQALD-ZDUSSCGKSA-N 1 1 279.815 3.414 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1ncnc2cc(C)sc21 ZINC001160954505 806329526 /nfs/dbraw/zinc/32/95/26/806329526.db2.gz WAJRZSJGXHURPJ-LBPRGKRZSA-N 1 1 288.420 3.062 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)c2cc(C)ccc2C)CC1 ZINC001161771244 806451703 /nfs/dbraw/zinc/45/17/03/806451703.db2.gz KJXQMPPMHBBVRF-UHFFFAOYSA-N 1 1 298.430 3.241 20 30 CGEDMO C#CCC[N@@H+]1CC=C(CCNC(=O)CCCCCC)CC1 ZINC001161813866 806461519 /nfs/dbraw/zinc/46/15/19/806461519.db2.gz FNUJGAFPOMMDDR-UHFFFAOYSA-N 1 1 290.451 3.119 20 30 CGEDMO N#C[C@H]1CC[C@@H]([N@H+]2CCCC[C@H]2c2cccnc2)C1 ZINC001254669537 806479548 /nfs/dbraw/zinc/47/95/48/806479548.db2.gz SHEZYPUSPOOTDQ-IMJJTQAJSA-N 1 1 255.365 3.301 20 30 CGEDMO COc1ccc([C@H](C)[N@@H+](C)[C@@H]2CC[C@H](C#N)C2)cc1 ZINC001254670742 806481192 /nfs/dbraw/zinc/48/11/92/806481192.db2.gz MGISHMQALCGTSU-KCQAQPDRSA-N 1 1 258.365 3.380 20 30 CGEDMO CC[N@@H+](Cc1cccc(OC)c1)[C@H]1CC[C@H](C#N)C1 ZINC001254670771 806481966 /nfs/dbraw/zinc/48/19/66/806481966.db2.gz MIXMENUWYQJPOC-ZFWWWQNUSA-N 1 1 258.365 3.209 20 30 CGEDMO N#C[C@H]1CC[C@@H]([N@H+]2CCCN(c3ccc(F)cc3)CC2)C1 ZINC001254677242 806485339 /nfs/dbraw/zinc/48/53/39/806485339.db2.gz RKYFSFBVRQFEPX-WMLDXEAASA-N 1 1 287.382 3.030 20 30 CGEDMO CCCCN(CCC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001255115637 806547167 /nfs/dbraw/zinc/54/71/67/806547167.db2.gz OKUNCWPRRDSHIF-SFHVURJKSA-N 1 1 285.435 3.277 20 30 CGEDMO CC[C@@H](CC#N)[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC001255172516 806564313 /nfs/dbraw/zinc/56/43/13/806564313.db2.gz PGIIUZRRMOVHMY-HOCLYGCPSA-N 1 1 258.365 3.222 20 30 CGEDMO CC[C@@H](CC#N)[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC001255172516 806564319 /nfs/dbraw/zinc/56/43/19/806564319.db2.gz PGIIUZRRMOVHMY-HOCLYGCPSA-N 1 1 258.365 3.222 20 30 CGEDMO CC[C@@H](CC#N)[NH+]1CCC(Oc2ccccc2OC)CC1 ZINC001255173880 806566392 /nfs/dbraw/zinc/56/63/92/806566392.db2.gz FUDMWRGQEPDDIX-AWEZNQCLSA-N 1 1 288.391 3.231 20 30 CGEDMO CC[C@H](CC#N)[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC001255174629 806568979 /nfs/dbraw/zinc/56/89/79/806568979.db2.gz ZOHZQDMZZFCIFX-MRXNPFEDSA-N 1 1 284.403 3.243 20 30 CGEDMO CC[C@@H](CC#N)[NH+]1CCC2(Cc3ccccc3O2)CC1 ZINC001255176017 806570046 /nfs/dbraw/zinc/57/00/46/806570046.db2.gz UORGKHJKGUVJDA-HNNXBMFYSA-N 1 1 270.376 3.148 20 30 CGEDMO C#CCCCNc1ccc([C@H]2CCCC[N@@H+]2C)cn1 ZINC001162439928 806585925 /nfs/dbraw/zinc/58/59/25/806585925.db2.gz GRFBECVPDPTROU-OAHLLOKOSA-N 1 1 257.381 3.064 20 30 CGEDMO N#CC1(N[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCCC1 ZINC001255394664 806633024 /nfs/dbraw/zinc/63/30/24/806633024.db2.gz XACOQNRZUZEZDP-SFHVURJKSA-N 1 1 297.446 3.467 20 30 CGEDMO C[C@@]1(C#N)CCN([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255409956 806635258 /nfs/dbraw/zinc/63/52/58/806635258.db2.gz OAMSXZZMPLGTHU-MOPGFXCFSA-N 1 1 297.446 3.277 20 30 CGEDMO CCCCCCCC[N@H+]1CCCC[C@@H]1C(=O)OC ZINC000157136046 799067296 /nfs/dbraw/zinc/06/72/96/799067296.db2.gz HRZKUANXJLTDFG-CQSZACIVSA-N 1 1 255.402 3.374 20 30 CGEDMO C=CCCCCCCN1CCC[N@H+]2CCC[C@@H]2C1 ZINC000310716772 799222470 /nfs/dbraw/zinc/22/24/70/799222470.db2.gz WRNGTKUPSCQWFM-MRXNPFEDSA-N 1 1 250.430 3.293 20 30 CGEDMO C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000328099565 799250182 /nfs/dbraw/zinc/25/01/82/799250182.db2.gz KPSXWIWVMYJLEM-LBPRGKRZSA-N 1 1 282.790 3.085 20 30 CGEDMO C#CC[N@@H+](C)CCCN[C@@H](C)c1ccc(Cl)c(F)c1 ZINC000328099565 799250190 /nfs/dbraw/zinc/25/01/90/799250190.db2.gz KPSXWIWVMYJLEM-LBPRGKRZSA-N 1 1 282.790 3.085 20 30 CGEDMO C#CC[N@H+](C)CCCN[C@@H](C)c1ccc(Cl)c(F)c1 ZINC000328099565 799250195 /nfs/dbraw/zinc/25/01/95/799250195.db2.gz KPSXWIWVMYJLEM-LBPRGKRZSA-N 1 1 282.790 3.085 20 30 CGEDMO O=C(Nc1cnn(C(F)F)c1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000329807482 799254654 /nfs/dbraw/zinc/25/46/54/799254654.db2.gz AEJPZCJDAQNAMZ-GFCCVEGCSA-N 1 1 298.337 3.273 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nccn2C)C1 ZINC000373108221 799342101 /nfs/dbraw/zinc/34/21/01/799342101.db2.gz AMTXLLKSIWWHAR-YOEHRIQHSA-N 1 1 294.402 3.232 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](Cc1ccccc1)[C@H](C)C1CC1 ZINC000385768565 799428878 /nfs/dbraw/zinc/42/88/78/799428878.db2.gz BISSFFYJDBJHNK-HUUCEWRRSA-N 1 1 272.392 3.216 20 30 CGEDMO CC[C@@H](CC#N)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388426277 799452824 /nfs/dbraw/zinc/45/28/24/799452824.db2.gz ZHJAGAXWDMKMRR-ROUUACIJSA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC(C)(C)CC(C)(C)C1 ZINC000688331383 799747451 /nfs/dbraw/zinc/74/74/51/799747451.db2.gz ADFSSLABXHHEDX-CYBMUJFWSA-N 1 1 252.402 3.063 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000708223941 799983384 /nfs/dbraw/zinc/98/33/84/799983384.db2.gz RXEJIMWKVSJELJ-ZBFHGGJFSA-N 1 1 264.413 3.207 20 30 CGEDMO C[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000708721790 799994384 /nfs/dbraw/zinc/99/43/84/799994384.db2.gz YLUPWMCHOJAAHX-ZDUSSCGKSA-N 1 1 286.272 3.472 20 30 CGEDMO C[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000708721790 799994388 /nfs/dbraw/zinc/99/43/88/799994388.db2.gz YLUPWMCHOJAAHX-ZDUSSCGKSA-N 1 1 286.272 3.472 20 30 CGEDMO CC(C)(C#N)CCCC[N@@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000719687584 800249565 /nfs/dbraw/zinc/24/95/65/800249565.db2.gz KDQAPRPLMNVHTH-CQSZACIVSA-N 1 1 266.429 3.189 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCS[C@@H](C(F)(F)F)C1 ZINC000721440794 800287690 /nfs/dbraw/zinc/28/76/90/800287690.db2.gz PNBBVNGVUIRVPZ-SNVBAGLBSA-N 1 1 280.359 3.296 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCC[C@H]2C2CCCCC2)c1 ZINC000721573687 800294297 /nfs/dbraw/zinc/29/42/97/800294297.db2.gz WSSPUOWXYGHGCW-KRWDZBQOSA-N 1 1 269.392 3.498 20 30 CGEDMO CC(C)(C)c1coc(C[NH+]2CCC(CC#N)CC2)n1 ZINC000724436872 800362139 /nfs/dbraw/zinc/36/21/39/800362139.db2.gz CJPAXTUHWTUBHW-UHFFFAOYSA-N 1 1 261.369 3.098 20 30 CGEDMO N#Cc1ccc(F)cc1C[NH+]1CCC(F)(C2CC2)CC1 ZINC000724819144 800367234 /nfs/dbraw/zinc/36/72/34/800367234.db2.gz QQFRPPMXGLOXQN-UHFFFAOYSA-N 1 1 276.330 3.411 20 30 CGEDMO C(=[NH+]OC1CCCCC1)c1ccc(N2CCOCC2)s1 ZINC000777459221 800387902 /nfs/dbraw/zinc/38/79/02/800387902.db2.gz NGYOXOQCYCEDGA-UHFFFAOYSA-N 1 1 294.420 3.268 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)Cc2ccc(O)c(OC)c2)cc1 ZINC000809543979 800442502 /nfs/dbraw/zinc/44/25/02/800442502.db2.gz WDWMKLXKOMIFPV-UHFFFAOYSA-N 1 1 281.355 3.014 20 30 CGEDMO C=C(C)CNN=C(C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000811650622 800447820 /nfs/dbraw/zinc/44/78/20/800447820.db2.gz ISLXCLFRCUDFGP-UHFFFAOYSA-N 1 1 268.364 3.070 20 30 CGEDMO C[C@H]([NH2+]CC(C)(C)C#N)c1cncc(Br)c1 ZINC000829123766 800484917 /nfs/dbraw/zinc/48/49/17/800484917.db2.gz ZAFQZYVFFQVDTC-VIFPVBQESA-N 1 1 282.185 3.044 20 30 CGEDMO COc1cccc(C[C@@H](C)[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC001256164424 806840351 /nfs/dbraw/zinc/84/03/51/806840351.db2.gz LYANYHGSXQQZCR-HUUCEWRRSA-N 1 1 272.392 3.252 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@@H]1c1cncc(Br)c1 ZINC000932248175 800655553 /nfs/dbraw/zinc/65/55/53/800655553.db2.gz BTODWRZCINVKDI-CQSZACIVSA-N 1 1 293.208 3.394 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2C)C1 ZINC001023204941 800706864 /nfs/dbraw/zinc/70/68/64/800706864.db2.gz GRSTZODCEQNARL-INIZCTEOSA-N 1 1 286.419 3.013 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)C2C(C)(C)C2(C)C)C1 ZINC001023292608 800708037 /nfs/dbraw/zinc/70/80/37/800708037.db2.gz YRMXWFGLKYMTOH-AWEZNQCLSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC=CCC2)C1 ZINC001023228534 800708573 /nfs/dbraw/zinc/70/85/73/800708573.db2.gz ASOKLZQIGFWOKK-IRXDYDNUSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001023580948 800713595 /nfs/dbraw/zinc/71/35/95/800713595.db2.gz ZWSDNRKDPIZFHI-JKSUJKDBSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001023714868 800715481 /nfs/dbraw/zinc/71/54/81/800715481.db2.gz WDHMNFDAIOKFKI-ULQDDVLXSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C)o1 ZINC001024318289 800725112 /nfs/dbraw/zinc/72/51/12/800725112.db2.gz DGBUDYXFLAONBK-HNNXBMFYSA-N 1 1 290.407 3.139 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1sccc1F ZINC001024427511 800728817 /nfs/dbraw/zinc/72/88/17/800728817.db2.gz KVZPYELRYMUIBA-LBPRGKRZSA-N 1 1 296.411 3.048 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccsc1Cl ZINC001024691703 800735138 /nfs/dbraw/zinc/73/51/38/800735138.db2.gz ZVVMRPJIFKYFHK-NSHDSACASA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)C ZINC001025203668 800748710 /nfs/dbraw/zinc/74/87/10/800748710.db2.gz JASJAMQANSATHP-HZPDHXFCSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCCC[C@@H]1[C@H]1CCC[N@@H+]1CCC ZINC001025257635 800751956 /nfs/dbraw/zinc/75/19/56/800751956.db2.gz FHTGVKIHQWHCPX-HZPDHXFCSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)C(=C)Cl)C1 ZINC001027424541 800794834 /nfs/dbraw/zinc/79/48/34/800794834.db2.gz AOPPHMAWVGMBBS-AWEZNQCLSA-N 1 1 298.858 3.264 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC=CCCC2)C1 ZINC001027460551 800797091 /nfs/dbraw/zinc/79/70/91/800797091.db2.gz KLMIQOQHOATWRB-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2cc(C)sc2C)C1 ZINC001027481522 800798122 /nfs/dbraw/zinc/79/81/22/800798122.db2.gz LRUARGZZZBCSSB-CQSZACIVSA-N 1 1 292.448 3.087 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)C23CCC(CC2)CC3)C1 ZINC001027690966 800810429 /nfs/dbraw/zinc/81/04/29/800810429.db2.gz KTIWENRFAJZDHM-UPTPFMHGSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2cc3ccccc3o2)C1 ZINC001027670786 800811675 /nfs/dbraw/zinc/81/16/75/800811675.db2.gz NOMIHGRIJZLOAD-OAHLLOKOSA-N 1 1 298.386 3.155 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccoc1Cl ZINC001027851405 800823696 /nfs/dbraw/zinc/82/36/96/800823696.db2.gz NNZRRRPLTNILHC-GFCCVEGCSA-N 1 1 296.798 3.093 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2occc2c1 ZINC001027899477 800826948 /nfs/dbraw/zinc/82/69/48/800826948.db2.gz JYIYCYUZVBVXTK-MRXNPFEDSA-N 1 1 298.386 3.203 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)C1CC2(CCC2)C1 ZINC001028082526 800829799 /nfs/dbraw/zinc/82/97/99/800829799.db2.gz JDFCGAGTBSRRTD-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cl)c(C)c1 ZINC001028112796 800832570 /nfs/dbraw/zinc/83/25/70/800832570.db2.gz FEFIFTAFCBZPIA-CQSZACIVSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(C)c1Cl ZINC001028213194 800834896 /nfs/dbraw/zinc/83/48/96/800834896.db2.gz STSBGMBZXVLPSB-CYBMUJFWSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)CCC=C2 ZINC001028268747 800839125 /nfs/dbraw/zinc/83/91/25/800839125.db2.gz ZLRHEWDHXXAOBE-GOSISDBHSA-N 1 1 296.414 3.026 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC(C)(C)C1 ZINC001028341152 800844441 /nfs/dbraw/zinc/84/44/41/800844441.db2.gz ZUAYXBDBJPXSNY-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001028683909 800849870 /nfs/dbraw/zinc/84/98/70/800849870.db2.gz IJCLLNBZQBTHML-BZUAXINKSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001029009037 800857598 /nfs/dbraw/zinc/85/75/98/800857598.db2.gz MAWGKVOWBGLWON-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](CNC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001029011903 800858550 /nfs/dbraw/zinc/85/85/50/800858550.db2.gz DCQPADWLWSNLJT-FHERZECASA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001029011165 800858687 /nfs/dbraw/zinc/85/86/87/800858687.db2.gz FFVPWBUJODBINY-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)CC ZINC001029453748 800868543 /nfs/dbraw/zinc/86/85/43/800868543.db2.gz KAHVVKCVMDRIGL-CBZIJGRNSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)CC1CCCCC1 ZINC001032660315 800931268 /nfs/dbraw/zinc/93/12/68/800931268.db2.gz BMEAHWNBMCKXJG-PVAVHDDUSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)CC1CCCCC1 ZINC001032660315 800931275 /nfs/dbraw/zinc/93/12/75/800931275.db2.gz BMEAHWNBMCKXJG-PVAVHDDUSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2sccc2Cl)C1 ZINC001033103469 800951895 /nfs/dbraw/zinc/95/18/95/800951895.db2.gz KUFLSBRDDWOLHR-LLVKDONJSA-N 1 1 298.839 3.124 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)C2CC3(CCC3)C2)C1 ZINC001033341222 800961611 /nfs/dbraw/zinc/96/16/11/800961611.db2.gz MWGDJLHDBBPERE-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@]2(C)CCC(C)=C(C)C2)C1 ZINC001033698493 800974706 /nfs/dbraw/zinc/97/47/06/800974706.db2.gz SLQRCYYSFHDKFS-FUHWJXTLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccccc2C)C1 ZINC001033733557 800978094 /nfs/dbraw/zinc/97/80/94/800978094.db2.gz DIZXVWGHBCOZMA-INIZCTEOSA-N 1 1 286.419 3.108 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccccc2C)C1 ZINC001033735368 800980179 /nfs/dbraw/zinc/98/01/79/800980179.db2.gz YWIAMASXHHFBMD-INIZCTEOSA-N 1 1 286.419 3.108 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(Cl)o2)C1 ZINC001033749885 800982627 /nfs/dbraw/zinc/98/26/27/800982627.db2.gz MOTJLAOEYFYOHN-GFCCVEGCSA-N 1 1 296.798 3.046 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)C2CCC(F)CC2)C1 ZINC001033939892 800989508 /nfs/dbraw/zinc/98/95/08/800989508.db2.gz AZUXGHQGSIVPFZ-GPANFISMSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2occc2Cl)C1 ZINC001033944065 800991873 /nfs/dbraw/zinc/99/18/73/800991873.db2.gz CZVLBPSCHJYAIU-LBPRGKRZSA-N 1 1 296.798 3.046 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCCC2(C)C)C1 ZINC001034051697 800997324 /nfs/dbraw/zinc/99/73/24/800997324.db2.gz YUTZVTMHWGPEAO-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)c2occc2C)C1 ZINC001034103429 801005902 /nfs/dbraw/zinc/00/59/02/801005902.db2.gz AXCBMDRBUJCYDR-OAHLLOKOSA-N 1 1 290.407 3.139 20 30 CGEDMO C=CC[N@H+]1CCCC[C@@H](NC(=O)C2CCCCCC2)C1 ZINC001034141879 801006935 /nfs/dbraw/zinc/00/69/35/801006935.db2.gz LOYJPRIKIUBVJF-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001034214561 801010483 /nfs/dbraw/zinc/01/04/83/801010483.db2.gz NYRJZGJDULGAEQ-HRCADAONSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)C[C@H]2CC=CCC2)C1 ZINC001034351540 801019943 /nfs/dbraw/zinc/01/99/43/801019943.db2.gz JWXUSRCMAGZDKY-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CCCC[N@H+](CCC)C2)CC1 ZINC001034380436 801023245 /nfs/dbraw/zinc/02/32/45/801023245.db2.gz JEQFJHLLAXRULX-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@@H](NC(=O)c2ccc(C=C)cc2)C1 ZINC001034419769 801026854 /nfs/dbraw/zinc/02/68/54/801026854.db2.gz QLGJEPQFSDULSW-GOSISDBHSA-N 1 1 298.430 3.490 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2ccccc2Cl)C1 ZINC001034502052 801030978 /nfs/dbraw/zinc/03/09/78/801030978.db2.gz CGWQSGZECWEMGS-ZDUSSCGKSA-N 1 1 292.810 3.110 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C)CC)CC2 ZINC001035159494 801052237 /nfs/dbraw/zinc/05/22/37/801052237.db2.gz GNVBBVUJJXWZEQ-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@H+]1CCC2(C1)CCN(C(=O)C1CCCCC1)CC2 ZINC001035154932 801052305 /nfs/dbraw/zinc/05/23/05/801052305.db2.gz MVFBCZZYUGCZNP-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C)C(C)(C)C)CC2 ZINC001035196897 801056378 /nfs/dbraw/zinc/05/63/78/801056378.db2.gz GSUCTLATFJRUFY-HNNXBMFYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2CN(C(=O)c3cccc(C)c3)CC[C@H]21 ZINC001036631082 801084892 /nfs/dbraw/zinc/08/48/92/801084892.db2.gz QFEZGPPORCMMAD-ZWKOTPCHSA-N 1 1 298.430 3.108 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CC3CCCC3)CC[C@@H]21 ZINC001036633442 801085570 /nfs/dbraw/zinc/08/55/70/801085570.db2.gz CGNZGYIJISZGKV-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CC(C)(C)C)CC[C@H]21 ZINC001036641366 801087093 /nfs/dbraw/zinc/08/70/93/801087093.db2.gz ZQDZCTVGCPPABE-ZIAGYGMSSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C(C)C)CC[C@H]21 ZINC001036724377 801090006 /nfs/dbraw/zinc/09/00/06/801090006.db2.gz FYTBYEQUCALTKK-HZPDHXFCSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1ccc(CCC)cc1 ZINC001038645869 801130960 /nfs/dbraw/zinc/13/09/60/801130960.db2.gz XLJZJFOQGALRAX-KRWDZBQOSA-N 1 1 286.419 3.019 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001038852048 801134614 /nfs/dbraw/zinc/13/46/14/801134614.db2.gz WUNDYWROCGCOCX-BRWVUGGUSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(CC)cc1 ZINC001038972318 801140190 /nfs/dbraw/zinc/14/01/90/801140190.db2.gz IPQBNOCOFRQCTD-QGZVFWFLSA-N 1 1 286.419 3.019 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC)C1 ZINC001039190868 801152253 /nfs/dbraw/zinc/15/22/53/801152253.db2.gz XNMBNHVEASZFDG-HOTGVXAUSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1 ZINC001039323231 801157803 /nfs/dbraw/zinc/15/78/03/801157803.db2.gz GJHLSXHBEMKAAY-MSOLQXFVSA-N 1 1 298.430 3.332 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)C(F)=C(C)C)C2)C1 ZINC001040155439 801173732 /nfs/dbraw/zinc/17/37/32/801173732.db2.gz XALLJMUCBYJFCD-KRWDZBQOSA-N 1 1 294.414 3.140 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)C(F)=C(C)C)C2)C1 ZINC001040155441 801174341 /nfs/dbraw/zinc/17/43/41/801174341.db2.gz XALLJMUCBYJFCD-QGZVFWFLSA-N 1 1 294.414 3.140 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)CC3(C)CC3)C2)C1 ZINC001040298406 801175200 /nfs/dbraw/zinc/17/52/00/801175200.db2.gz WHMZCJZQZGOHTN-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)CC)C2)C1 ZINC001040355809 801176781 /nfs/dbraw/zinc/17/67/81/801176781.db2.gz FCMMOTWANLQFIH-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)C(CC)CC)C2)C1 ZINC001041077080 801186565 /nfs/dbraw/zinc/18/65/65/801186565.db2.gz FMPDFCKTIGVFGV-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)C(C)C)C2)C1 ZINC001041322344 801188116 /nfs/dbraw/zinc/18/81/16/801188116.db2.gz OVJZKGAGPLAMCR-GOSISDBHSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@]2(CC[N@@H+](CC(=C)C)C2)C1 ZINC001041632206 801190832 /nfs/dbraw/zinc/19/08/32/801190832.db2.gz FVDBDIGDLJIXNP-ROUUACIJSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)c3cccc(C)c3)C[C@H]21 ZINC001041912069 801196906 /nfs/dbraw/zinc/19/69/06/801196906.db2.gz FJDQUUSPGWEQPS-FUHWJXTLSA-N 1 1 298.430 3.108 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)C(C)C)C[C@H]21 ZINC001042077495 801200283 /nfs/dbraw/zinc/20/02/83/801200283.db2.gz LMCZYJJKMCCEFN-JKSUJKDBSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)C(C)(C)C)C[C@@H]21 ZINC001042181258 801201449 /nfs/dbraw/zinc/20/14/49/801201449.db2.gz FNAYGNDMEGLEOK-GJZGRUSLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)C3(C)CCCC3)C[C@@H]21 ZINC001042172072 801202331 /nfs/dbraw/zinc/20/23/31/801202331.db2.gz BYYTZDFBVFNTGQ-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](CC=C(C)C)[C@@H]2C1 ZINC001042184819 801202357 /nfs/dbraw/zinc/20/23/57/801202357.db2.gz ZPZSJDODXQRVBA-JKSUJKDBSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3c(C)cccc3C)C[C@@H]21 ZINC001042243178 801203818 /nfs/dbraw/zinc/20/38/18/801203818.db2.gz PVLIEGQXLBYBHN-SJORKVTESA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)CC[NH+]1CC(N(C)C(=O)c2cc(C)sc2C)C1 ZINC001043246619 801217360 /nfs/dbraw/zinc/21/73/60/801217360.db2.gz RMCRNDLFCNOHQJ-UHFFFAOYSA-N 1 1 292.448 3.087 20 30 CGEDMO C=CCC[NH+]1CC(N(C)C(=O)c2c(C)csc2Cl)C1 ZINC001044234824 801233215 /nfs/dbraw/zinc/23/32/15/801233215.db2.gz GIJDJXBKJLFZJA-UHFFFAOYSA-N 1 1 298.839 3.042 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1CCC1)C2 ZINC001045907666 801291990 /nfs/dbraw/zinc/29/19/90/801291990.db2.gz CNAWVXRUMQDSOV-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)c2ccc(C)s2)C1 ZINC001046107245 801298837 /nfs/dbraw/zinc/29/88/37/801298837.db2.gz BBECPYMUUNZRHQ-INIZCTEOSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)c2sc(C)cc2C)C1 ZINC001046348063 801309765 /nfs/dbraw/zinc/30/97/65/801309765.db2.gz GXBRWTDPAOQEHB-INIZCTEOSA-N 1 1 292.448 3.135 20 30 CGEDMO C=Cc1ccc(C(=O)N[C@]2(C)CC[N@H+](CC(=C)C)C2)cc1 ZINC001046643339 801319696 /nfs/dbraw/zinc/31/96/96/801319696.db2.gz AHRRETARWCSOPT-GOSISDBHSA-N 1 1 284.403 3.100 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)c2ccsc2Cl)C1 ZINC001046672987 801321774 /nfs/dbraw/zinc/32/17/74/801321774.db2.gz BTEZKWZDIRVYJU-AWEZNQCLSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2cc3ccccc3o2)C1 ZINC001046816682 801325951 /nfs/dbraw/zinc/32/59/51/801325951.db2.gz ASJFPZKXELDSSZ-SFHVURJKSA-N 1 1 298.386 3.203 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001046861045 801330863 /nfs/dbraw/zinc/33/08/63/801330863.db2.gz RNSAXLCLCPDXBB-QAPCUYQASA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)CC ZINC001049340715 801367500 /nfs/dbraw/zinc/36/75/00/801367500.db2.gz SPFGSZOGOPCPRB-ARFHVFGLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)C1CC1 ZINC001049403688 801369744 /nfs/dbraw/zinc/36/97/44/801369744.db2.gz JZAFYYBBECTFTI-BHYGNILZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(F)=C1CCCC1 ZINC001049419144 801370514 /nfs/dbraw/zinc/37/05/14/801370514.db2.gz MLHLUNKQVWQYFK-GJZGRUSLSA-N 1 1 292.398 3.035 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)=C1CCC1 ZINC001049469496 801373806 /nfs/dbraw/zinc/37/38/06/801373806.db2.gz DBNSIRLXNSDMHE-IRXDYDNUSA-N 1 1 288.435 3.128 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)C(C)(C)C ZINC001049551203 801375042 /nfs/dbraw/zinc/37/50/42/801375042.db2.gz FSTKDRGUNRAYFL-OWCLPIDISA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)C(C)(C)C ZINC001049552092 801376002 /nfs/dbraw/zinc/37/60/02/801376002.db2.gz LNCLSKUIDXQDQJ-ARFHVFGLSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CCC)CC1 ZINC001049689651 801383926 /nfs/dbraw/zinc/38/39/26/801383926.db2.gz LGHZVGVPFZGHIL-IRXDYDNUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)CC ZINC001049681676 801383963 /nfs/dbraw/zinc/38/39/63/801383963.db2.gz QFXPKAQLHMXPPP-HUUCEWRRSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)C(F)=C(C)C)[C@@H]2C1 ZINC001050018808 801397765 /nfs/dbraw/zinc/39/77/65/801397765.db2.gz TZYXMNOEHBEHLD-LSDHHAIUSA-N 1 1 294.414 3.139 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)CC2CCCCC2)CC1 ZINC001052179326 801424189 /nfs/dbraw/zinc/42/41/89/801424189.db2.gz GMBPQPKGVKKRKU-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cscc2Cl)CC1 ZINC001052466716 801434050 /nfs/dbraw/zinc/43/40/50/801434050.db2.gz AXGLXWDFPRMKOG-NSHDSACASA-N 1 1 298.839 3.172 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](NC(=O)C2(C3CCC3)CCC2)CC1 ZINC001052601363 801438611 /nfs/dbraw/zinc/43/86/11/801438611.db2.gz IOOSMOPWMWQVAO-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CC=CCC2)CC1 ZINC001052628380 801441703 /nfs/dbraw/zinc/44/17/03/801441703.db2.gz XYHNEQUILVVEMI-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)c2cccs2)CC1 ZINC001052705847 801448351 /nfs/dbraw/zinc/44/83/51/801448351.db2.gz KVRMCIHTMPJPHL-UONOGXRCSA-N 1 1 292.448 3.008 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)C2CCCC2)CC1 ZINC001052859215 801453397 /nfs/dbraw/zinc/45/33/97/801453397.db2.gz JILYQEYMVUKBEF-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC(C)C)C2 ZINC001054075423 801470091 /nfs/dbraw/zinc/47/00/91/801470091.db2.gz JQIHGCYLJRLHDU-INIZCTEOSA-N 1 1 298.858 3.100 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1(CC)CC1)C2 ZINC001054191705 801477507 /nfs/dbraw/zinc/47/75/07/801477507.db2.gz KBYMVUMFBVJMJS-KRWDZBQOSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@@]2(CC[N@H+](CCC)C2)C1 ZINC001054175295 801477816 /nfs/dbraw/zinc/47/78/16/801477816.db2.gz LPTCOVBQJOYWFY-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(C)cc1)C2 ZINC001054231988 801479621 /nfs/dbraw/zinc/47/96/21/801479621.db2.gz FWSVWMDBKNNIPF-LJQANCHMSA-N 1 1 298.430 3.109 20 30 CGEDMO C[C@@H]1C[C@H](N2CCC[C@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC001256556233 806914550 /nfs/dbraw/zinc/91/45/50/806914550.db2.gz XRAKUXTZOGEPRP-BHIYHBOVSA-N 1 1 297.446 3.275 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cc(C)oc2C)CC[C@@H]1C ZINC001071334293 801530686 /nfs/dbraw/zinc/53/06/86/801530686.db2.gz DUWGLZIFZUBUML-WFASDCNBSA-N 1 1 290.407 3.055 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cscc2C)CC[C@@H]1C ZINC001071399480 801534327 /nfs/dbraw/zinc/53/43/27/801534327.db2.gz UHNFIDIRKUPYRF-KBPBESRZSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2oc(C)cc2C)CC[C@H]1C ZINC001071398738 801535176 /nfs/dbraw/zinc/53/51/76/801535176.db2.gz IRCPNJXKGMVEOH-UKRRQHHQSA-N 1 1 290.407 3.055 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2ccoc2Cl)CC[C@@H]1C ZINC001071453828 801535846 /nfs/dbraw/zinc/53/58/46/801535846.db2.gz AIKVIGUCQARXBE-NWDGAFQWSA-N 1 1 296.798 3.092 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C2=CCCCCC2)CC[C@@H]1C ZINC001071457996 801536573 /nfs/dbraw/zinc/53/65/73/801536573.db2.gz OVHVMYALXWPLOM-RDJZCZTQSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C2(C3CCC3)CCC2)CC[C@H]1C ZINC001071712046 801547414 /nfs/dbraw/zinc/54/74/14/801547414.db2.gz IIDXOMNXKFINEC-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C2(C)CCCCC2)CC[C@H]1C ZINC001071792019 801551548 /nfs/dbraw/zinc/55/15/48/801551548.db2.gz CICWURHCTOXTCK-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2csc(Cl)c2)CC[C@H]1C ZINC001071868982 801556209 /nfs/dbraw/zinc/55/62/09/801556209.db2.gz NRKLVNYBUCSKHA-ZYHUDNBSSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2Cl)CC[C@@H]1C ZINC001072016575 801560534 /nfs/dbraw/zinc/56/05/34/801560534.db2.gz SMYXATGWHNKVPC-STQMWFEESA-N 1 1 292.810 3.109 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2sccc2CC)CC[C@@H]1C ZINC001072098872 801563759 /nfs/dbraw/zinc/56/37/59/801563759.db2.gz HLULBHUGDBVGFW-JSGCOSHPSA-N 1 1 292.448 3.079 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C23CCC(CC2)CC3)CC[C@@H]1C ZINC001072096078 801563878 /nfs/dbraw/zinc/56/38/78/801563878.db2.gz SRNPSBYGWJJVKF-VUGNNNGISA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)CC[N@H+]1CCC2(CN(C(=O)c3ccccc3C)C2)C1 ZINC001072414292 801571167 /nfs/dbraw/zinc/57/11/67/801571167.db2.gz ZCOKDLKVHDBGPF-UHFFFAOYSA-N 1 1 298.430 3.109 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CC2(C1)CC[N@H+](CCCC)C2 ZINC001072779703 801573574 /nfs/dbraw/zinc/57/35/74/801573574.db2.gz BHBRGHLBQYFTEA-UHFFFAOYSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001080110454 801650357 /nfs/dbraw/zinc/65/03/57/801650357.db2.gz LDIJHEDWKMJNIB-KLHDSHLOSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001079948104 801650768 /nfs/dbraw/zinc/65/07/68/801650768.db2.gz WBBPKVXABIRNLB-BRWVUGGUSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001080984356 801656229 /nfs/dbraw/zinc/65/62/29/801656229.db2.gz QNKPWTQDSIQHEL-NUJGCVRESA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C)cc2)C1 ZINC001080835614 801656349 /nfs/dbraw/zinc/65/63/49/801656349.db2.gz JLGOLNYHWLVUKO-NVXWUHKLSA-N 1 1 286.419 3.011 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001081013925 801657257 /nfs/dbraw/zinc/65/72/57/801657257.db2.gz KBFFBXYZSOSGCR-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(C)c3)[C@@H]2C1 ZINC001084167440 801666508 /nfs/dbraw/zinc/66/65/08/801666508.db2.gz QHIKOAGTCSVHAR-QZTJIDSGSA-N 1 1 298.430 3.108 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)oc1C ZINC001085479552 801689553 /nfs/dbraw/zinc/68/95/53/801689553.db2.gz VPLNLPJSYYRMPO-OAHLLOKOSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001085612423 801696309 /nfs/dbraw/zinc/69/63/09/801696309.db2.gz QXSRUWNAMWCHHP-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC=CCCC1 ZINC001085669230 801697622 /nfs/dbraw/zinc/69/76/22/801697622.db2.gz VNDWZMXLSPYFOO-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(CCC)s1 ZINC001085620290 801697937 /nfs/dbraw/zinc/69/79/37/801697937.db2.gz LAMROUMMCCLUCR-CYBMUJFWSA-N 1 1 292.448 3.033 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(CCC)s1 ZINC001085620290 801697942 /nfs/dbraw/zinc/69/79/42/801697942.db2.gz LAMROUMMCCLUCR-CYBMUJFWSA-N 1 1 292.448 3.033 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1csc(C)c1C ZINC001085616405 801698119 /nfs/dbraw/zinc/69/81/19/801698119.db2.gz LRFZONSJIMBSGK-CQSZACIVSA-N 1 1 292.448 3.087 20 30 CGEDMO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CCCC)CC1 ZINC001085801706 801705730 /nfs/dbraw/zinc/70/57/30/801705730.db2.gz ADPQWQLRNLQNCC-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CC[C@H](C)F)CC1 ZINC001085800761 801705819 /nfs/dbraw/zinc/70/58/19/801705819.db2.gz BGSDMACCOIQAJD-GOEBONIOSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[C@H](CC)CC1 ZINC001085936785 801711742 /nfs/dbraw/zinc/71/17/42/801711742.db2.gz NNUUBIVVUWFLIN-ULQDDVLXSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc2ccccc21 ZINC001085955843 801713743 /nfs/dbraw/zinc/71/37/43/801713743.db2.gz LLWIHXBWBJUDGJ-MRXNPFEDSA-N 1 1 294.398 3.172 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc2ccccc21 ZINC001085955843 801713747 /nfs/dbraw/zinc/71/37/47/801713747.db2.gz LLWIHXBWBJUDGJ-MRXNPFEDSA-N 1 1 294.398 3.172 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccoc1C(C)C ZINC001085995657 801717973 /nfs/dbraw/zinc/71/79/73/801717973.db2.gz RXGZNCNGGNVXJJ-CQSZACIVSA-N 1 1 290.407 3.125 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C(C)=C2CCCC2)[C@H]1CC ZINC001087537119 801754052 /nfs/dbraw/zinc/75/40/52/801754052.db2.gz YCRXWGSFRNSYOS-JKSUJKDBSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C23CCC(CC2)C3)[C@H]1CC ZINC001087625664 801759420 /nfs/dbraw/zinc/75/94/20/801759420.db2.gz PHOPMDFPCDSZMG-BNQMIIOLSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cocc2C)[C@H]1CC ZINC001087688912 801761902 /nfs/dbraw/zinc/76/19/02/801761902.db2.gz BPAMKBFTDARELX-JKSUJKDBSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@]2(C)C=CCC2)[C@H]1CC ZINC001087690908 801762547 /nfs/dbraw/zinc/76/25/47/801762547.db2.gz VTJFXVWTJYHKLF-LZWOXQAQSA-N 1 1 296.842 3.064 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)C=CCC2)[C@H]1CC ZINC001087690908 801762550 /nfs/dbraw/zinc/76/25/50/801762550.db2.gz VTJFXVWTJYHKLF-LZWOXQAQSA-N 1 1 296.842 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2c(C)cccc2C)[C@H]1CC ZINC001087736355 801766508 /nfs/dbraw/zinc/76/65/08/801766508.db2.gz LTNZQNAAYPCZDN-JKSUJKDBSA-N 1 1 286.419 3.072 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C2CCCC2)[C@H]1CC ZINC001087791736 801767540 /nfs/dbraw/zinc/76/75/40/801767540.db2.gz WHWINHQDSQDVRM-BHYGNILZSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2Cl)[C@H]1CC ZINC001087806269 801769028 /nfs/dbraw/zinc/76/90/28/801769028.db2.gz WRCLZSXJQUXHHG-LSDHHAIUSA-N 1 1 292.810 3.109 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)CC)C[C@@H]2C1 ZINC001088087928 801774479 /nfs/dbraw/zinc/77/44/79/801774479.db2.gz UNXUAVBPXYGXEJ-CVEARBPZSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC2=CCCCC2)[C@H]1C ZINC001088496450 801796518 /nfs/dbraw/zinc/79/65/18/801796518.db2.gz XCEIVUSLJHVVPN-HIFRSBDPSA-N 1 1 296.842 3.208 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC2=CCCCC2)[C@H]1C ZINC001088496450 801796525 /nfs/dbraw/zinc/79/65/25/801796525.db2.gz XCEIVUSLJHVVPN-HIFRSBDPSA-N 1 1 296.842 3.208 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[N@H+](CCC(C)C)[C@@H]2C)CC1 ZINC001088835926 801808247 /nfs/dbraw/zinc/80/82/47/801808247.db2.gz WGZKGZRKTPSWLP-WBVHZDCISA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C(C)C)cc2)[C@H]1C ZINC001088999799 801815985 /nfs/dbraw/zinc/81/59/85/801815985.db2.gz UCOCSYBVULJEQF-PBHICJAKSA-N 1 1 286.419 3.189 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC)cc2)[C@H]1C ZINC001089017821 801816213 /nfs/dbraw/zinc/81/62/13/801816213.db2.gz YQXBGGAPVPAKEO-PBHICJAKSA-N 1 1 286.419 3.018 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2sccc2C(C)C)[C@H]1C ZINC001089056181 801818777 /nfs/dbraw/zinc/81/87/77/801818777.db2.gz UBQCDDARZLECLF-OCCSQVGLSA-N 1 1 292.448 3.250 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCCCC2(C)C)[C@H]1C ZINC001089084081 801821491 /nfs/dbraw/zinc/82/14/91/801821491.db2.gz QXVZZMMQQUJFOU-OAGGEKHMSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CCC)CC(C)(C)C2)C1 ZINC001089485114 801842663 /nfs/dbraw/zinc/84/26/63/801842663.db2.gz HBSFDVGJZONLFQ-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CCC1 ZINC001089600016 801845018 /nfs/dbraw/zinc/84/50/18/801845018.db2.gz HZUGOYRQCOKTSJ-AWEZNQCLSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CCC1 ZINC001089600016 801845025 /nfs/dbraw/zinc/84/50/25/801845025.db2.gz HZUGOYRQCOKTSJ-AWEZNQCLSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)=C1CCCC1)C2 ZINC001095298759 801883504 /nfs/dbraw/zinc/88/35/04/801883504.db2.gz JQTKFHACEBCNCY-IKGGRYGDSA-N 1 1 288.435 3.175 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C1CC1)C2 ZINC001095895045 801888312 /nfs/dbraw/zinc/88/83/12/801888312.db2.gz WHIFUNUPNJERCH-PMPSAXMXSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCC=CCC1)C2 ZINC001096562914 801889092 /nfs/dbraw/zinc/88/90/92/801889092.db2.gz WRKMKBAIKIXNPU-IKGGRYGDSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)c1ccc(C)cc1)C2 ZINC001098239943 801906316 /nfs/dbraw/zinc/90/63/16/801906316.db2.gz ALHGGFJZGIFDQN-HPBDAGMYSA-N 1 1 298.430 3.006 20 30 CGEDMO C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC ZINC001098869689 801917600 /nfs/dbraw/zinc/91/76/00/801917600.db2.gz YEEGYMPUUCGORE-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCCC ZINC001098909965 801919521 /nfs/dbraw/zinc/91/95/21/801919521.db2.gz HUJRNCXVZPIZCP-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C=C(C)C ZINC001098889677 801920705 /nfs/dbraw/zinc/92/07/05/801920705.db2.gz UWMXMNUEFPYOKE-CQSZACIVSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C=C(C)C ZINC001098889677 801920712 /nfs/dbraw/zinc/92/07/12/801920712.db2.gz UWMXMNUEFPYOKE-CQSZACIVSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC[C@H](C)F ZINC001098966655 801921645 /nfs/dbraw/zinc/92/16/45/801921645.db2.gz SBWZFMQKGQHBOK-GJZGRUSLSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCC1CC1 ZINC001098966703 801921685 /nfs/dbraw/zinc/92/16/85/801921685.db2.gz SYEBYOMLCPCJPH-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1C[C@H](F)CC ZINC001098966354 801922683 /nfs/dbraw/zinc/92/26/83/801922683.db2.gz LGVJSIDKMIVTKE-HUUCEWRRSA-N 1 1 298.446 3.308 20 30 CGEDMO C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)CCC ZINC001098983656 801924457 /nfs/dbraw/zinc/92/44/57/801924457.db2.gz SEQIXRFTSSSCKO-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCCF ZINC001099098363 801927680 /nfs/dbraw/zinc/92/76/80/801927680.db2.gz OEJYCRXIUQVESG-OAHLLOKOSA-N 1 1 298.446 3.309 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC1CC1 ZINC001099171734 801930652 /nfs/dbraw/zinc/93/06/52/801930652.db2.gz RLACUDGVJUODTD-HNNXBMFYSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001099165060 801930798 /nfs/dbraw/zinc/93/07/98/801930798.db2.gz JREKZOLXKMOLMO-XHSDSOJGSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)CC ZINC001099203750 801934695 /nfs/dbraw/zinc/93/46/95/801934695.db2.gz RHARXFMFZXGJSR-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)CC(C)C)C[C@]2(C)C1 ZINC001101108412 801971344 /nfs/dbraw/zinc/97/13/44/801971344.db2.gz HQRLNBNANQUHIO-JZXOWHBKSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](CC)CC(C)C)C[C@]2(C)C1 ZINC001101421644 801978470 /nfs/dbraw/zinc/97/84/70/801978470.db2.gz PTECPBFBBULFAJ-NUJGCVRESA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](CNC(=O)C(CC)CC)[C@H](C)C1 ZINC001101745401 801989970 /nfs/dbraw/zinc/98/99/70/801989970.db2.gz LAKBAKSGPUYMNO-HLLBOEOZSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](CNC(=O)CCCC(C)(C)C)[C@H](C)C1 ZINC001101816789 801991787 /nfs/dbraw/zinc/99/17/87/801991787.db2.gz MWYHRMMWCVJUHO-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C=C2CCC2)[C@H](C)C1 ZINC001101874780 801993119 /nfs/dbraw/zinc/99/31/19/801993119.db2.gz XSXBGMGEOLGKSB-BFYDXBDKSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CC2CCC2)[C@H](C)C1 ZINC001101857117 801993454 /nfs/dbraw/zinc/99/34/54/801993454.db2.gz YBCINIVPEKJNOX-HLLBOEOZSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1C[N@@H+](CCCCC)C[C@H]1C ZINC001102010989 801998363 /nfs/dbraw/zinc/99/83/63/801998363.db2.gz YAUVRKRRYBYBLU-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@](C)(F)CCCC)[C@H](C)C1 ZINC001102105166 802000162 /nfs/dbraw/zinc/00/01/62/802000162.db2.gz HPSPAELNHSHFJI-BFYDXBDKSA-N 1 1 298.446 3.165 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C ZINC001102230156 802000856 /nfs/dbraw/zinc/00/08/56/802000856.db2.gz UOGHIDDBTHMTIE-HUUCEWRRSA-N 1 1 294.483 3.319 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1C ZINC001102327438 802004868 /nfs/dbraw/zinc/00/48/68/802004868.db2.gz UHYPKXZNXQXFQL-LDPPUTLGSA-N 1 1 298.858 3.025 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@H+](CCC2CC2)C[C@H]1C ZINC001102410165 802006302 /nfs/dbraw/zinc/00/63/02/802006302.db2.gz NVEAIEWDLSDFMF-GDBMZVCRSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)F)C1 ZINC001102635254 802015863 /nfs/dbraw/zinc/01/58/63/802015863.db2.gz ZBLRVHBAJCKUNU-QLFBSQMISA-N 1 1 298.446 3.163 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)/C(C)=C/CC)C1 ZINC001102733928 802019292 /nfs/dbraw/zinc/01/92/92/802019292.db2.gz CCTZUGBPHBQCQR-DUCLZDJCSA-N 1 1 298.858 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC2(C)C)C1 ZINC001102872636 802024700 /nfs/dbraw/zinc/02/47/00/802024700.db2.gz OZGIEAHYWYLSDY-BZUAXINKSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NCC[C@@H]1C[N@@H+](CC(=C)C)C[C@H]1C ZINC001103345022 802031928 /nfs/dbraw/zinc/03/19/28/802031928.db2.gz YEGWITWCKUPBKG-GVDBMIGSSA-N 1 1 292.467 3.239 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC(C)(C)C)C1 ZINC001103552047 802035495 /nfs/dbraw/zinc/03/54/95/802035495.db2.gz ZUKXOCQDOCSBDS-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)C[C@@H](C)C(C)C)CCC[C@@H]12 ZINC001107324041 802085059 /nfs/dbraw/zinc/08/50/59/802085059.db2.gz PAAJUWGVGSDYDQ-JFIYKMOQSA-N 1 1 292.467 3.215 20 30 CGEDMO CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)C)C2 ZINC001108935191 802103757 /nfs/dbraw/zinc/10/37/57/802103757.db2.gz OZPNUXFQFLGQNC-PMPSAXMXSA-N 1 1 280.456 3.334 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1C=CCC1)C2 ZINC001108907872 802104488 /nfs/dbraw/zinc/10/44/88/802104488.db2.gz PTSBOROMLIVDTP-NCOADZHNSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC(C)C)C2 ZINC001108918406 802104916 /nfs/dbraw/zinc/10/49/16/802104916.db2.gz CPNCKNVRRIHJEL-NCOADZHNSA-N 1 1 292.467 3.499 20 30 CGEDMO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC)CC1 ZINC001109681785 802122925 /nfs/dbraw/zinc/12/29/25/802122925.db2.gz HVSQWVXAGGXRLY-PMPSAXMXSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C)CC=CC1)C2 ZINC001109672524 802123093 /nfs/dbraw/zinc/12/30/93/802123093.db2.gz IRWTUPIHFFPAQI-PMPSAXMXSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CC(C)C)C2 ZINC001109894981 802128023 /nfs/dbraw/zinc/12/80/23/802128023.db2.gz XAEXPEUXISHJSZ-NCOADZHNSA-N 1 1 292.467 3.356 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC1CCCC1)C2 ZINC001110253497 802133625 /nfs/dbraw/zinc/13/36/25/802133625.db2.gz AAWREPSJAOUJBZ-ZACQAIPSSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC(C)(C)C)C2 ZINC001110391213 802138345 /nfs/dbraw/zinc/13/83/45/802138345.db2.gz BSYHCILYGOLQKF-KFWWJZLASA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C(CC)CC)C2 ZINC001110750768 802146254 /nfs/dbraw/zinc/14/62/54/802146254.db2.gz ZTGDPPNWFZAZFG-SVGFKBNWSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(C)C ZINC001110602422 802146380 /nfs/dbraw/zinc/14/63/80/802146380.db2.gz QVALFPWWSCRTMP-OAGGEKHMSA-N 1 1 290.451 3.276 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(C)=C(C)C)C2 ZINC001110909802 802148705 /nfs/dbraw/zinc/14/87/05/802148705.db2.gz VUYKBZLPYHDXCQ-ZACQAIPSSA-N 1 1 290.451 3.421 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(C)C=CCC1)C2 ZINC001110902245 802148771 /nfs/dbraw/zinc/14/87/71/802148771.db2.gz RDKUAEIQHFMATF-XLMAVXFVSA-N 1 1 288.435 3.030 20 30 CGEDMO CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCF)C2 ZINC001110911408 802148783 /nfs/dbraw/zinc/14/87/83/802148783.db2.gz UPNCAGMUSMTXEI-OAGGEKHMSA-N 1 1 298.446 3.428 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)C(C)C)C1 ZINC001111654402 802165058 /nfs/dbraw/zinc/16/50/58/802165058.db2.gz TXNYXERXTOGRIG-BQFCYCMXSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C=C(CC)CC)C1 ZINC001111701319 802166455 /nfs/dbraw/zinc/16/64/55/802166455.db2.gz RKSVUNPVMCTFOZ-WMZOPIPTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)/C=C(/C)CC)C1 ZINC001111734393 802168624 /nfs/dbraw/zinc/16/86/24/802168624.db2.gz XMDJNHZPEOHQJB-MUDDQBKWSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)/C=C(/C)CC)C1 ZINC001111734393 802168629 /nfs/dbraw/zinc/16/86/29/802168629.db2.gz XMDJNHZPEOHQJB-MUDDQBKWSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)CC(C)(C)C)C1 ZINC001111894392 802170107 /nfs/dbraw/zinc/17/01/07/802170107.db2.gz DDRKSGWMIRSKOM-MPGHIAIKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CCC)C(C)C)C1 ZINC001111888649 802170203 /nfs/dbraw/zinc/17/02/03/802170203.db2.gz OKKSMKKJVONZRT-BQFCYCMXSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](C/C=C/Cl)C2 ZINC001111856714 802170994 /nfs/dbraw/zinc/17/09/94/802170994.db2.gz DEOAIMMBCJUPEL-NMUURSEASA-N 1 1 296.842 3.066 20 30 CGEDMO C=CCCC[NH+]1CCN(C(=O)c2cc(C)c(C)s2)CC1 ZINC001113614486 802231042 /nfs/dbraw/zinc/23/10/42/802231042.db2.gz JCOHIMDLUWDPCZ-UHFFFAOYSA-N 1 1 292.448 3.089 20 30 CGEDMO C=CCC1(C(=O)N2CC[NH+](CC=C(C)C)CC2)CCCC1 ZINC001113744579 802232138 /nfs/dbraw/zinc/23/21/38/802232138.db2.gz IJPPUIQZXCPDNW-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](CC)c3ccccc3)C[C@H]21 ZINC001114003208 802236184 /nfs/dbraw/zinc/23/61/84/802236184.db2.gz VNIQXRSMUNRGJM-NTDBWNAOSA-N 1 1 298.430 3.150 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CCCC1 ZINC001114137175 802238599 /nfs/dbraw/zinc/23/85/99/802238599.db2.gz SWZCQTQCBGTYOM-FVQHAEBGSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](CC)CCCC ZINC001114593644 802242723 /nfs/dbraw/zinc/24/27/23/802242723.db2.gz ZKRGVUMWGMUTOS-CBZIJGRNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(CC)CC)C[C@H]21 ZINC001114791706 802245753 /nfs/dbraw/zinc/24/57/53/802245753.db2.gz JHEVKHASYKRNDT-MUQADHOPSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC(C)(C)C ZINC001115003619 802249236 /nfs/dbraw/zinc/24/92/36/802249236.db2.gz SXKNNSIUWALKIP-AIANPOQGSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)CCCCCC ZINC001114992136 802249678 /nfs/dbraw/zinc/24/96/78/802249678.db2.gz PCFBFKQYCKUSHX-MWDXBVQZSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)CC(C)C ZINC001115090853 802252288 /nfs/dbraw/zinc/25/22/88/802252288.db2.gz FAGBXFAGYVRKOM-NCOADZHNSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)CCCCC ZINC001115276719 802255650 /nfs/dbraw/zinc/25/56/50/802255650.db2.gz UHGSSHQAVGQGJQ-ZSHCYNCHSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001116553318 802377801 /nfs/dbraw/zinc/37/78/01/802377801.db2.gz UXWXBORVKLTILN-ZDUSSCGKSA-N 1 1 296.754 3.025 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001116553318 802377809 /nfs/dbraw/zinc/37/78/09/802377809.db2.gz UXWXBORVKLTILN-ZDUSSCGKSA-N 1 1 296.754 3.025 20 30 CGEDMO C=CC[C@H]([NH2+][C@H]1CCC[C@@H](CC)C1)C(=O)OCC ZINC001116790427 802411065 /nfs/dbraw/zinc/41/10/65/802411065.db2.gz VCWCBPPXGYZHBY-RDBSUJKOSA-N 1 1 253.386 3.053 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001172490936 808351129 /nfs/dbraw/zinc/35/11/29/808351129.db2.gz ASXIBWFETLJMCF-HBNTYKKESA-N 1 1 266.282 3.149 20 30 CGEDMO C=CCN1CC[C@@]2(CC[N@@H+](CCCC3CCCC3)C2)C1=O ZINC001273100589 808833285 /nfs/dbraw/zinc/83/32/85/808833285.db2.gz DXEANTRJCWSUTE-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](C[C@H]2CCc3ccccc3C2)C1 ZINC001119292670 802643357 /nfs/dbraw/zinc/64/33/57/802643357.db2.gz DEFMZZROUQRRFE-MAUKXSAKSA-N 1 1 271.404 3.068 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC001119308513 802646549 /nfs/dbraw/zinc/64/65/49/802646549.db2.gz OXOGDRDZQPIBMO-KBPBESRZSA-N 1 1 262.401 3.003 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)s1)[C@H](CO)c1ccccc1 ZINC001119325382 802649314 /nfs/dbraw/zinc/64/93/14/802649314.db2.gz KWNWUYQLGYOJHV-MRXNPFEDSA-N 1 1 286.400 3.175 20 30 CGEDMO CO[C@H]1C[N@@H+](Cc2cc(Cl)cc(C#N)c2)CC[C@@H]1C ZINC001119761302 802697780 /nfs/dbraw/zinc/69/77/80/802697780.db2.gz MNXSVZKXSAPDOX-NHYWBVRUSA-N 1 1 278.783 3.068 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CC)C1 ZINC001120391711 802743324 /nfs/dbraw/zinc/74/33/24/802743324.db2.gz GELJAIFAQNVTFE-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCCF)C1 ZINC001120413531 802744478 /nfs/dbraw/zinc/74/44/78/802744478.db2.gz MIMMYEQLQHUBFO-HOTGVXAUSA-N 1 1 296.430 3.015 20 30 CGEDMO CCC[N@H+]1CCCC[C@H]1C(=O)O[C@H](C)CC(C)(C)C#N ZINC001122998771 802900922 /nfs/dbraw/zinc/90/09/22/802900922.db2.gz WFHAKCMNCGRALK-KGLIPLIRSA-N 1 1 280.412 3.122 20 30 CGEDMO C=C(CC)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001123593180 802955562 /nfs/dbraw/zinc/95/55/62/802955562.db2.gz CKFFREYTRIHIRY-MRXNPFEDSA-N 1 1 286.419 3.076 20 30 CGEDMO CCOc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1O ZINC001203613937 812406578 /nfs/dbraw/zinc/40/65/78/812406578.db2.gz KRHUXJDOASMVKJ-XMQYKBBCSA-N 1 1 286.375 3.057 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@H](NC(=O)CC)CC[C@H]1C ZINC001131736218 803338872 /nfs/dbraw/zinc/33/88/72/803338872.db2.gz WOJCAUIAHHYQIO-HUUCEWRRSA-N 1 1 266.429 3.112 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccoc2C)CC[C@@H]1C ZINC001131772613 803344165 /nfs/dbraw/zinc/34/41/65/803344165.db2.gz RDKGTZMBFVAJLV-ZFWWWQNUSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)CCCCC)CC[C@@H]1C ZINC001131817384 803348319 /nfs/dbraw/zinc/34/83/19/803348319.db2.gz MLSPBQRREDPLJM-GJZGRUSLSA-N 1 1 266.429 3.112 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)CSC(C)C)CC[C@@H]1C ZINC001131862969 803352558 /nfs/dbraw/zinc/35/25/58/803352558.db2.gz YZZUQBNSXUVUHO-GJZGRUSLSA-N 1 1 298.496 3.063 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)CCC2CC2)CC[C@@H]1C ZINC001131923931 803357130 /nfs/dbraw/zinc/35/71/30/803357130.db2.gz WTGGBYNZRLTYKU-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCCC(C)C)C1 ZINC001132003282 803366189 /nfs/dbraw/zinc/36/61/89/803366189.db2.gz SEYSMUWQGAYVPM-SJORKVTESA-N 1 1 292.467 3.195 20 30 CGEDMO C#CC[N@@H+]1C[C@H](NC(=O)CCCCC(C)(C)C)CC[C@H]1C ZINC001132058543 803369816 /nfs/dbraw/zinc/36/98/16/803369816.db2.gz ZJSJACDEPQRZIS-HZPDHXFCSA-N 1 1 292.467 3.195 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCC(=C)C)C1 ZINC001132072547 803372010 /nfs/dbraw/zinc/37/20/10/803372010.db2.gz LTNVWVAHTWYSNO-HZPDHXFCSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCCC[N@H+]1C[C@H](NC(=O)CCCC#CC)CC[C@@H]1C ZINC001132224830 803381390 /nfs/dbraw/zinc/38/13/90/803381390.db2.gz RAPOIQJZQYQNDK-DLBZAZTESA-N 1 1 290.451 3.115 20 30 CGEDMO C#CCCCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCC=C)C1 ZINC001132240731 803385443 /nfs/dbraw/zinc/38/54/43/803385443.db2.gz LFSVHPSFFNIWIG-SJORKVTESA-N 1 1 290.451 3.115 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CCCF)C2)CCC1 ZINC001132281811 803389596 /nfs/dbraw/zinc/38/95/96/803389596.db2.gz FSWFVBLEMLSOFP-HUUCEWRRSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCCC1(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CC(C)C)C2)CC1 ZINC001132278025 803390502 /nfs/dbraw/zinc/39/05/02/803390502.db2.gz LHWINJLBBBXDRH-HOTGVXAUSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)C2(C(C)C)CC2)CC[C@H]1C ZINC001132283042 803392378 /nfs/dbraw/zinc/39/23/78/803392378.db2.gz QJCIGFBMPQMARO-HZPDHXFCSA-N 1 1 292.467 3.358 20 30 CGEDMO COCC[N@@H+](C)Cc1ccnc(-c2ccc(C)c(C#N)c2)c1 ZINC001244481551 803392426 /nfs/dbraw/zinc/39/24/26/803392426.db2.gz DXYHHHCGZUTCNV-UHFFFAOYSA-N 1 1 295.386 3.007 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)C2(CF)CCC2)CC[C@H]1C ZINC001132313673 803393492 /nfs/dbraw/zinc/39/34/92/803393492.db2.gz CBJFHQRGAJBYEQ-HUUCEWRRSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)C2(CF)CCC2)CC[C@H]1C ZINC001132313721 803394908 /nfs/dbraw/zinc/39/49/08/803394908.db2.gz CQQSUMBTXIHXDM-HUUCEWRRSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)CC=C)CC[C@@H]1C ZINC001132330076 803395963 /nfs/dbraw/zinc/39/59/63/803395963.db2.gz AODODMGVZMZIFK-GJZGRUSLSA-N 1 1 278.440 3.134 20 30 CGEDMO C[N@H+]1CCc2c(F)cc(-c3cc(C#N)ccc3F)cc2C1 ZINC001244558644 803438009 /nfs/dbraw/zinc/43/80/09/803438009.db2.gz CSVLWDYVFUXEEV-UHFFFAOYSA-N 1 1 284.309 3.491 20 30 CGEDMO C=CCCCC(=O)NCC[NH2+][C@H](C)c1c(F)cccc1F ZINC001133157795 803458012 /nfs/dbraw/zinc/45/80/12/803458012.db2.gz QVNOMRPAEBOJSJ-GFCCVEGCSA-N 1 1 296.361 3.088 20 30 CGEDMO C#Cc1cccc(N(CC)C(=O)[C@@H]2CCC[N@H+](CCC)C2)c1 ZINC001136643308 803648922 /nfs/dbraw/zinc/64/89/22/803648922.db2.gz GMBQWXTYKBSRPG-QGZVFWFLSA-N 1 1 298.430 3.143 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC001137121594 803684649 /nfs/dbraw/zinc/68/46/49/803684649.db2.gz UHQXOEWXLLZIRO-UHFFFAOYSA-N 1 1 258.365 3.377 20 30 CGEDMO O=C1C=C2C[N@@H+](Cc3cccc4ncccc34)CCC2S1 ZINC001137626016 803746630 /nfs/dbraw/zinc/74/66/30/803746630.db2.gz YBNBIBCLPFLEBL-MRXNPFEDSA-N 1 1 296.395 3.009 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3cccc4ncccc34)CCC2S1 ZINC001137626016 803746634 /nfs/dbraw/zinc/74/66/34/803746634.db2.gz YBNBIBCLPFLEBL-MRXNPFEDSA-N 1 1 296.395 3.009 20 30 CGEDMO CCC[N@H+](Cc1ccc(OC)cc1C#N)CC1CC1 ZINC001137698363 803759086 /nfs/dbraw/zinc/75/90/86/803759086.db2.gz UBWZFGPHXGLOGR-UHFFFAOYSA-N 1 1 258.365 3.189 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC001137962377 803810163 /nfs/dbraw/zinc/81/01/63/803810163.db2.gz GDMVRLRRTJVOIM-LLVKDONJSA-N 1 1 251.732 3.324 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC001137962377 803810170 /nfs/dbraw/zinc/81/01/70/803810170.db2.gz GDMVRLRRTJVOIM-LLVKDONJSA-N 1 1 251.732 3.324 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2C[C@@H](C)CC23CC3)cc1OC ZINC001138346492 803899290 /nfs/dbraw/zinc/89/92/90/803899290.db2.gz FHNMTVZATKUNPD-AWEZNQCLSA-N 1 1 285.387 3.082 20 30 CGEDMO C#CCOc1ccc(C[N@@H+](C)C[C@H]2CC2(C)C)cc1OC ZINC001138348634 803901331 /nfs/dbraw/zinc/90/13/31/803901331.db2.gz MIDRPQCGELYSJC-OAHLLOKOSA-N 1 1 287.403 3.185 20 30 CGEDMO COc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001138483083 803947591 /nfs/dbraw/zinc/94/75/91/803947591.db2.gz XRHHJHFFSPPGRA-GFCCVEGCSA-N 1 1 278.783 3.474 20 30 CGEDMO COc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001138483083 803947596 /nfs/dbraw/zinc/94/75/96/803947596.db2.gz XRHHJHFFSPPGRA-GFCCVEGCSA-N 1 1 278.783 3.474 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@H]2C(C)(C)OC)cc1 ZINC001138557380 803966208 /nfs/dbraw/zinc/96/62/08/803966208.db2.gz JBJNISJLUCUTFN-KRWDZBQOSA-N 1 1 287.403 3.088 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC(=O)[C@H]3CCCC[C@H]32)cc1 ZINC001138556168 803967280 /nfs/dbraw/zinc/96/72/80/803967280.db2.gz IOHVWAXPTHSXTC-ZWKOTPCHSA-N 1 1 297.398 3.032 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC(=O)[C@H]3CCCC[C@H]32)cc1 ZINC001138556168 803967287 /nfs/dbraw/zinc/96/72/87/803967287.db2.gz IOHVWAXPTHSXTC-ZWKOTPCHSA-N 1 1 297.398 3.032 20 30 CGEDMO C#CCOc1ccc(C[N@H+](CCC)C2CCOCC2)cc1 ZINC001138560048 803969214 /nfs/dbraw/zinc/96/92/14/803969214.db2.gz FJBQPBAULCMJPL-UHFFFAOYSA-N 1 1 287.403 3.090 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(-n2cnc3ccccc32)cc1 ZINC001138583269 803975032 /nfs/dbraw/zinc/97/50/32/803975032.db2.gz ALNBOFFNUPVBEG-UHFFFAOYSA-N 1 1 275.355 3.091 20 30 CGEDMO C=CCc1cccc(C[N@@H+](C)Cc2ccncc2)c1O ZINC001138625600 803983314 /nfs/dbraw/zinc/98/33/14/803983314.db2.gz PVLBVTVBRYNCAH-UHFFFAOYSA-N 1 1 268.360 3.148 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1cccc(Oc2ncccn2)c1 ZINC001138622267 803983349 /nfs/dbraw/zinc/98/33/49/803983349.db2.gz KRYYLWFIGGEWPM-UHFFFAOYSA-N 1 1 296.374 3.395 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1cccc(Oc2ncccn2)c1 ZINC001138622267 803983353 /nfs/dbraw/zinc/98/33/53/803983353.db2.gz KRYYLWFIGGEWPM-UHFFFAOYSA-N 1 1 296.374 3.395 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CCC[C@H](CF)C2)c1O ZINC001138627746 803986676 /nfs/dbraw/zinc/98/66/76/803986676.db2.gz FHPSYUHWCJRFQK-CYBMUJFWSA-N 1 1 263.356 3.302 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cccn2-c2ccccc2F)C1 ZINC001138633411 803988604 /nfs/dbraw/zinc/98/86/04/803988604.db2.gz WWKHMFYDAJSSQC-HNNXBMFYSA-N 1 1 282.362 3.462 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CCC[C@@]12CCOC2 ZINC001138665703 803997471 /nfs/dbraw/zinc/99/74/71/803997471.db2.gz UODNICDXJTZIBN-SFHVURJKSA-N 1 1 287.403 3.396 20 30 CGEDMO COc1cc(C)c(C[N@@H+]2CC[C@@](C)(C#N)C2)c(C)c1C ZINC001138726633 804023855 /nfs/dbraw/zinc/02/38/55/804023855.db2.gz FZELJWZZNMLTLC-KRWDZBQOSA-N 1 1 272.392 3.356 20 30 CGEDMO COc1cc(C)c(C[N@H+]2CC[C@@](C)(C#N)C2)c(C)c1C ZINC001138726633 804023863 /nfs/dbraw/zinc/02/38/63/804023863.db2.gz FZELJWZZNMLTLC-KRWDZBQOSA-N 1 1 272.392 3.356 20 30 CGEDMO C=CCC[N@@H+](Cc1nc(C)c[nH]1)Cc1ccccc1 ZINC001138940257 804075095 /nfs/dbraw/zinc/07/50/95/804075095.db2.gz FRLGGRLCFKJPKE-UHFFFAOYSA-N 1 1 255.365 3.296 20 30 CGEDMO C=CCC[N@H+](Cc1nc(C)c[nH]1)Cc1ccccc1 ZINC001138940257 804075101 /nfs/dbraw/zinc/07/51/01/804075101.db2.gz FRLGGRLCFKJPKE-UHFFFAOYSA-N 1 1 255.365 3.296 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cnc3[nH]ccc3c2Cl)C1 ZINC001138935601 804077190 /nfs/dbraw/zinc/07/71/90/804077190.db2.gz HQLGBWSYESKDEE-LLVKDONJSA-N 1 1 273.767 3.013 20 30 CGEDMO CCCCCCCCCCC[NH2+]C[C@@]1(O)CCCNC1 ZINC001246000226 804098851 /nfs/dbraw/zinc/09/88/51/804098851.db2.gz IARIAWFFNFBDQZ-KRWDZBQOSA-N 1 1 284.488 3.221 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@](C)(CF)C1 ZINC001139028986 804112207 /nfs/dbraw/zinc/11/22/07/804112207.db2.gz LXRLIKUZCRNVFW-MRXNPFEDSA-N 1 1 263.356 3.433 20 30 CGEDMO N#Cc1ccc(C2CCC([NH2+][C@@H]3CCCCNC3)CC2)cc1 ZINC001246092603 804125766 /nfs/dbraw/zinc/12/57/66/804125766.db2.gz SVYUHGQGIAYVDV-CTWPCTMYSA-N 1 1 297.446 3.316 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1ccc(-c2cnccn2)cc1 ZINC001139393775 804185893 /nfs/dbraw/zinc/18/58/93/804185893.db2.gz NNPSOOHRFUNVRJ-UHFFFAOYSA-N 1 1 280.375 3.269 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1ccc(-c2cnccn2)cc1 ZINC001139393775 804185897 /nfs/dbraw/zinc/18/58/97/804185897.db2.gz NNPSOOHRFUNVRJ-UHFFFAOYSA-N 1 1 280.375 3.269 20 30 CGEDMO C=CC[N@@H+](Cc1c(N)ncnc1Cl)C1CCCCC1 ZINC001139442839 804188531 /nfs/dbraw/zinc/18/85/31/804188531.db2.gz SDAWCFPBFUFCOF-UHFFFAOYSA-N 1 1 280.803 3.033 20 30 CGEDMO C=CC[N@H+](Cc1c(N)ncnc1Cl)C1CCCCC1 ZINC001139442839 804188537 /nfs/dbraw/zinc/18/85/37/804188537.db2.gz SDAWCFPBFUFCOF-UHFFFAOYSA-N 1 1 280.803 3.033 20 30 CGEDMO C=CCC[N@H+](Cc1ccccc1)Cc1ccc(=O)[nH]c1 ZINC001139468430 804192928 /nfs/dbraw/zinc/19/29/28/804192928.db2.gz BDYIMFQDYGSUDM-UHFFFAOYSA-N 1 1 268.360 3.366 20 30 CGEDMO CCCCCCC[C@H](CCC)[NH2+][C@@H]1CCNC[C@H]1OC ZINC001246219462 804213042 /nfs/dbraw/zinc/21/30/42/804213042.db2.gz ZDNMKTKGLJZJIR-GVDBMIGSSA-N 1 1 284.488 3.482 20 30 CGEDMO C#C[C@](C)(CC)N[C@H]1CC[NH2+][C@@H](c2ccc(F)cc2C)C1 ZINC001246264737 804246586 /nfs/dbraw/zinc/24/65/86/804246586.db2.gz LCFYTTUBGLMZIV-CGTJXYLNSA-N 1 1 288.410 3.319 20 30 CGEDMO Cc1nc2cc(C)ccn2c1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001139676656 804250014 /nfs/dbraw/zinc/25/00/14/804250014.db2.gz HFUPTIAFQHGBJE-OAHLLOKOSA-N 1 1 282.391 3.077 20 30 CGEDMO N#Cc1c(Cl)cccc1C[N@@H+]1CC[C@]2(C1)CCCCO2 ZINC001139686661 804254214 /nfs/dbraw/zinc/25/42/14/804254214.db2.gz AUNLLDHJGOHWBL-INIZCTEOSA-N 1 1 290.794 3.357 20 30 CGEDMO N#Cc1c(Cl)cccc1C[N@H+]1CC[C@]2(C1)CCCCO2 ZINC001139686661 804254218 /nfs/dbraw/zinc/25/42/18/804254218.db2.gz AUNLLDHJGOHWBL-INIZCTEOSA-N 1 1 290.794 3.357 20 30 CGEDMO N#Cc1c(Cl)cccc1C[N@@H+]1C[C@@H]2CCCC(=O)[C@@H]2C1 ZINC001139692453 804255928 /nfs/dbraw/zinc/25/59/28/804255928.db2.gz ACIHWBLVJKTKDB-GXTWGEPZSA-N 1 1 288.778 3.013 20 30 CGEDMO N#Cc1c(Cl)cccc1C[N@H+]1C[C@@H]2CCCC(=O)[C@@H]2C1 ZINC001139692453 804255936 /nfs/dbraw/zinc/25/59/36/804255936.db2.gz ACIHWBLVJKTKDB-GXTWGEPZSA-N 1 1 288.778 3.013 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2c[nH]c3c2cccc3C#N)C2(CC2)C1 ZINC001139707040 804260397 /nfs/dbraw/zinc/26/03/97/804260397.db2.gz NUIVXGMOZIUXOO-LBPRGKRZSA-N 1 1 265.360 3.414 20 30 CGEDMO N#Cc1cccc2c(C[N@@H+]3CCC[C@@H](CF)C3)c[nH]c21 ZINC001139703318 804260660 /nfs/dbraw/zinc/26/06/60/804260660.db2.gz NMXRLMFULRWOPI-LBPRGKRZSA-N 1 1 271.339 3.221 20 30 CGEDMO Cc1ccc(C[N@H+]2CCc3cccc(O)c3C2)cc1C#N ZINC001139726116 804267041 /nfs/dbraw/zinc/26/70/41/804267041.db2.gz SOCBEXMTTVHOLJ-UHFFFAOYSA-N 1 1 278.355 3.131 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cc(=O)n(C)c2ccccc12 ZINC001139761802 804277465 /nfs/dbraw/zinc/27/74/65/804277465.db2.gz UHSOLWKJTNZBMX-UHFFFAOYSA-N 1 1 284.403 3.327 20 30 CGEDMO C=CCn1cc(C[N@@H+]2CC[C@@H](c3ccccc3OC)C2)cn1 ZINC001139766902 804278223 /nfs/dbraw/zinc/27/82/23/804278223.db2.gz YGBZINSOWJERKL-MRXNPFEDSA-N 1 1 297.402 3.067 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)C1C[C@@H](C)C[C@H](C)C1 ZINC001139869651 804302192 /nfs/dbraw/zinc/30/21/92/804302192.db2.gz OQKOGDUJXUHGQL-GJZGRUSLSA-N 1 1 280.456 3.025 20 30 CGEDMO C=C1C[C@@H]2CC([NH2+]C[C@]3(CCC)CCN3)C[C@H](C1)C2 ZINC001246455136 804337769 /nfs/dbraw/zinc/33/77/69/804337769.db2.gz HFRPCIVYSWGDIU-WFVVYAPDSA-N 1 1 262.441 3.243 20 30 CGEDMO C#CC1(N[C@@H]2CC[NH2+][C@H](CCCC)C2)CCCCC1 ZINC001246464772 804343442 /nfs/dbraw/zinc/34/34/42/804343442.db2.gz SUESDDNHLSYALX-HZPDHXFCSA-N 1 1 262.441 3.223 20 30 CGEDMO C#CC1(N[C@H]2CC[NH2+][C@H](CCCC)C2)CCCCC1 ZINC001246464766 804343695 /nfs/dbraw/zinc/34/36/95/804343695.db2.gz SUESDDNHLSYALX-CVEARBPZSA-N 1 1 262.441 3.223 20 30 CGEDMO CCCCCCCCC[C@H](C)N[C@H]1C[NH2+][C@H](COC)C1 ZINC001246466576 804345398 /nfs/dbraw/zinc/34/53/98/804345398.db2.gz QYKANEMWRVSTQX-BBWFWOEESA-N 1 1 284.488 3.482 20 30 CGEDMO C=CC[N@H+](Cc1cnc(Cl)nc1)C1CCCCC1 ZINC001139993465 804345401 /nfs/dbraw/zinc/34/54/01/804345401.db2.gz MJBLIHHCOMWKKE-UHFFFAOYSA-N 1 1 265.788 3.451 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1cc(Br)cnc1F ZINC001140008385 804351234 /nfs/dbraw/zinc/35/12/34/804351234.db2.gz XWGUOWJAKKIUNQ-UHFFFAOYSA-N 1 1 287.176 3.381 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(Br)cnc1F ZINC001140008385 804351243 /nfs/dbraw/zinc/35/12/43/804351243.db2.gz XWGUOWJAKKIUNQ-UHFFFAOYSA-N 1 1 287.176 3.381 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)CC[C@@]1(C)O ZINC001140110007 804379516 /nfs/dbraw/zinc/37/95/16/804379516.db2.gz CYGSTNZSMJOZFB-FZKQIMNGSA-N 1 1 297.402 3.022 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@@H](C#N)CC2)ccc1C ZINC001140159785 804391259 /nfs/dbraw/zinc/39/12/59/804391259.db2.gz ZIEYOXKTEQBDAZ-CQSZACIVSA-N 1 1 258.365 3.129 20 30 CGEDMO CC[N@H+](CCC#N)Cc1ccc(-c2ccncc2)cc1 ZINC001140172838 804395475 /nfs/dbraw/zinc/39/54/75/804395475.db2.gz DJMWPZUGFGXYAM-UHFFFAOYSA-N 1 1 265.360 3.484 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1ccc(-c2ccncc2)cc1 ZINC001140172838 804395483 /nfs/dbraw/zinc/39/54/83/804395483.db2.gz DJMWPZUGFGXYAM-UHFFFAOYSA-N 1 1 265.360 3.484 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@@H+](C)C[C@@H]1CNCCO1 ZINC001246549514 804398173 /nfs/dbraw/zinc/39/81/73/804398173.db2.gz MKCBOJWUMRJSNH-CVEARBPZSA-N 1 1 270.461 3.046 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3C[C@@H](C)CC[C@H]3CN)C[C@H](C1)C2 ZINC001246553043 804403091 /nfs/dbraw/zinc/40/30/91/804403091.db2.gz ALKYTQTYPAWRMX-ITPJMLCISA-N 1 1 262.441 3.181 20 30 CGEDMO C=CC[N@@H+](C)Cc1csc(=NC(=O)OC(C)(C)C)[nH]1 ZINC001140310051 804409034 /nfs/dbraw/zinc/40/90/34/804409034.db2.gz GEUUEFHYGVGNDJ-UHFFFAOYSA-N 1 1 283.397 3.108 20 30 CGEDMO C=CC[N@H+](C)Cc1csc(=NC(=O)OC(C)(C)C)[nH]1 ZINC001140310051 804409038 /nfs/dbraw/zinc/40/90/38/804409038.db2.gz GEUUEFHYGVGNDJ-UHFFFAOYSA-N 1 1 283.397 3.108 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@H+](Cc1c(O)cccc1Cl)CC2 ZINC001140337713 804418459 /nfs/dbraw/zinc/41/84/59/804418459.db2.gz AQRUGLHFZMBEED-UHFFFAOYSA-N 1 1 298.773 3.476 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@@H+](Cc1c(O)cccc1Cl)CC2 ZINC001140337713 804418462 /nfs/dbraw/zinc/41/84/62/804418462.db2.gz AQRUGLHFZMBEED-UHFFFAOYSA-N 1 1 298.773 3.476 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCCC[C@](F)(CN)C3)C[C@H](C1)C2 ZINC001246575669 804422205 /nfs/dbraw/zinc/42/22/05/804422205.db2.gz IVYPZBGQWWETJQ-WFVVYAPDSA-N 1 1 280.431 3.274 20 30 CGEDMO N#C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC001140380688 804424758 /nfs/dbraw/zinc/42/47/58/804424758.db2.gz AAJJSXQUGWASSZ-HNNXBMFYSA-N 1 1 263.344 3.094 20 30 CGEDMO N#C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC001140380688 804424764 /nfs/dbraw/zinc/42/47/64/804424764.db2.gz AAJJSXQUGWASSZ-HNNXBMFYSA-N 1 1 263.344 3.094 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccc3F)nc2)C1 ZINC001140405520 804430446 /nfs/dbraw/zinc/43/04/46/804430446.db2.gz XQDODBLXEJPKKL-CQSZACIVSA-N 1 1 295.361 3.128 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccccc1OCC(=O)OC ZINC001140429409 804431635 /nfs/dbraw/zinc/43/16/35/804431635.db2.gz QQBCDUQFCUPDBJ-UHFFFAOYSA-N 1 1 291.391 3.027 20 30 CGEDMO C[C@@H]1CC[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)CCN1 ZINC001246592083 804433596 /nfs/dbraw/zinc/43/35/96/804433596.db2.gz FIYLZDNEPXACMG-VNCLNFNDSA-N 1 1 297.446 3.268 20 30 CGEDMO C[C@@H]1CCN(C2CCC(c3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC001246592083 804433600 /nfs/dbraw/zinc/43/36/00/804433600.db2.gz FIYLZDNEPXACMG-VNCLNFNDSA-N 1 1 297.446 3.268 20 30 CGEDMO C=CC1(CC(=O)N2CC[N@H+](CC)C[C@@H]2C)CCCCC1 ZINC001140510632 804450476 /nfs/dbraw/zinc/45/04/76/804450476.db2.gz TXJSLPCZPPQMEJ-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO COc1cccc(CCC[N@@H+](C)Cc2ccc(C#N)nc2)c1 ZINC001140545797 804458756 /nfs/dbraw/zinc/45/87/56/804458756.db2.gz LHJHQAOAHHBDSJ-UHFFFAOYSA-N 1 1 295.386 3.026 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2Cl)CCC[C@]1(C)O ZINC001140600353 804471356 /nfs/dbraw/zinc/47/13/56/804471356.db2.gz IQLRFNOXMIBYJQ-LRDDRELGSA-N 1 1 292.810 3.195 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@H](C#N)CC2)c(C)c1 ZINC001140676576 804487087 /nfs/dbraw/zinc/48/70/87/804487087.db2.gz AIMBDQQXGVOIIC-AWEZNQCLSA-N 1 1 258.365 3.129 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(C(=O)OCC)[nH]1)Cc1ccccc1 ZINC001140689288 804490626 /nfs/dbraw/zinc/49/06/26/804490626.db2.gz UWJKHAUCYRZWRR-UHFFFAOYSA-N 1 1 298.386 3.380 20 30 CGEDMO C=CC[N@H+](Cc1ccc(C(=O)OCC)[nH]1)Cc1ccccc1 ZINC001140689288 804490631 /nfs/dbraw/zinc/49/06/31/804490631.db2.gz UWJKHAUCYRZWRR-UHFFFAOYSA-N 1 1 298.386 3.380 20 30 CGEDMO CCCCCCC[C@@H](CCC)[N@H+]1C[C@@H]2COC[C@H](C1)N2 ZINC001246674735 804490695 /nfs/dbraw/zinc/49/06/95/804490695.db2.gz OUOOTALMKRKUOG-IXDOHACOSA-N 1 1 282.472 3.188 20 30 CGEDMO CCCCCCCC[C@@H](CC)[N@@H+]1C[C@H]2CNC[C@@H](C1)O2 ZINC001246679539 804494705 /nfs/dbraw/zinc/49/47/05/804494705.db2.gz QTEZWDGEOBIYIH-ZACQAIPSSA-N 1 1 282.472 3.188 20 30 CGEDMO CCCCCCCC[C@@H](CC)N1C[C@H]2C[NH2+]C[C@@H](C1)O2 ZINC001246679539 804494708 /nfs/dbraw/zinc/49/47/08/804494708.db2.gz QTEZWDGEOBIYIH-ZACQAIPSSA-N 1 1 282.472 3.188 20 30 CGEDMO C[C@@H]1CCCC[N@@H+]1Cc1cc(F)c(C#N)c(F)c1 ZINC001140751385 804505141 /nfs/dbraw/zinc/50/51/41/804505141.db2.gz UQVSMUVWUIMDLY-SNVBAGLBSA-N 1 1 250.292 3.211 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1Cc1cc(F)c(C#N)c(F)c1 ZINC001140751385 804505145 /nfs/dbraw/zinc/50/51/45/804505145.db2.gz UQVSMUVWUIMDLY-SNVBAGLBSA-N 1 1 250.292 3.211 20 30 CGEDMO COCC[C@H]1CCCC[N@H+]1Cc1cc(F)c(C#N)c(F)c1 ZINC001140753353 804505918 /nfs/dbraw/zinc/50/59/18/804505918.db2.gz FCPCWMNALNELOJ-CYBMUJFWSA-N 1 1 294.345 3.227 20 30 CGEDMO C[N@H+](Cc1cc(F)c(C#N)c(F)c1)CC1CCCC1 ZINC001140754637 804506915 /nfs/dbraw/zinc/50/69/15/804506915.db2.gz FSAHIYZHCCTTAL-UHFFFAOYSA-N 1 1 264.319 3.458 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CC[C@H]3CCCO[C@@H]3C2)c1Cl ZINC001140808624 804525568 /nfs/dbraw/zinc/52/55/68/804525568.db2.gz XIUFIFGGIBZRAY-IUODEOHRSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@H]3CCCO[C@@H]3C2)c1Cl ZINC001140808624 804525573 /nfs/dbraw/zinc/52/55/73/804525573.db2.gz XIUFIFGGIBZRAY-IUODEOHRSA-N 1 1 290.794 3.213 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CC[C@@H](F)[C@@H](N)C1 ZINC001246819979 804535672 /nfs/dbraw/zinc/53/56/72/804535672.db2.gz MLSLSQNDJKVYED-KFWWJZLASA-N 1 1 258.425 3.497 20 30 CGEDMO CCCCCCCC[C@@H](CC)[N@@H+]1CCN[C@H](C#N)C1 ZINC001246832950 804542239 /nfs/dbraw/zinc/54/22/39/804542239.db2.gz FHMTWIZTSNDGKE-HZPDHXFCSA-N 1 1 265.445 3.313 20 30 CGEDMO CCCCCCCC[C@@H](CC)[N@H+]1CCN[C@H](C#N)C1 ZINC001246832950 804542244 /nfs/dbraw/zinc/54/22/44/804542244.db2.gz FHMTWIZTSNDGKE-HZPDHXFCSA-N 1 1 265.445 3.313 20 30 CGEDMO Cc1cc([C@H]2CCC[N@H+]2C2CCC(C#N)CC2)no1 ZINC001256965265 807019105 /nfs/dbraw/zinc/01/91/05/807019105.db2.gz OPFZHHFPPDMQKA-SSDMNJCBSA-N 1 1 259.353 3.202 20 30 CGEDMO C[N@@H+](Cc1cnc(Cl)s1)C1CCC(C#N)CC1 ZINC001256964803 807019548 /nfs/dbraw/zinc/01/95/48/807019548.db2.gz DABIRLDQEUHVAO-UHFFFAOYSA-N 1 1 269.801 3.311 20 30 CGEDMO C[C@H]1C(=O)CC[N@@H+](C2CCC(C#N)CC2)C12CCCC2 ZINC001256971143 807020440 /nfs/dbraw/zinc/02/04/40/807020440.db2.gz JXXXVPOWGUTUOW-NFOMZHRRSA-N 1 1 274.408 3.292 20 30 CGEDMO C[C@@]1(CF)CC[N@@H+](Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141106855 804590325 /nfs/dbraw/zinc/59/03/25/804590325.db2.gz JTWXRFICCJETSC-LBPRGKRZSA-N 1 1 287.791 3.037 20 30 CGEDMO COC(C)(C)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1C#N ZINC001141166417 804603662 /nfs/dbraw/zinc/60/36/62/804603662.db2.gz MPIDSFFUHBZJBT-OAHLLOKOSA-N 1 1 276.355 3.087 20 30 CGEDMO C[C@@H]1[C@H](N)CCC[N@H+]1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246937205 804608347 /nfs/dbraw/zinc/60/83/47/804608347.db2.gz HQQNQLYKPWUHCK-YOODTLSXSA-N 1 1 297.446 3.396 20 30 CGEDMO C[C@@H]1[C@H]([NH3+])CCCN1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246937205 804608351 /nfs/dbraw/zinc/60/83/51/804608351.db2.gz HQQNQLYKPWUHCK-YOODTLSXSA-N 1 1 297.446 3.396 20 30 CGEDMO C=CCN(C(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC001141705582 804665024 /nfs/dbraw/zinc/66/50/24/804665024.db2.gz RSRJOUQPYUEHSI-OWCLPIDISA-N 1 1 286.419 3.467 20 30 CGEDMO CCCCCCCCNC(=S)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC001247142725 804668260 /nfs/dbraw/zinc/66/82/60/804668260.db2.gz UIGRBKRTRLGFAT-LSDHHAIUSA-N 1 1 299.528 3.246 20 30 CGEDMO CSc1nc(C[N@H+](C)Cc2cccs2)ccc1C#N ZINC001141938560 804680929 /nfs/dbraw/zinc/68/09/29/804680929.db2.gz FJZPFZXBGQYLRA-UHFFFAOYSA-N 1 1 289.429 3.369 20 30 CGEDMO CSc1nc(C[N@@H+](C)Cc2cccs2)ccc1C#N ZINC001141938560 804680934 /nfs/dbraw/zinc/68/09/34/804680934.db2.gz FJZPFZXBGQYLRA-UHFFFAOYSA-N 1 1 289.429 3.369 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCC[C@H](C#N)CC2)c(Cl)n1 ZINC001142140104 804697553 /nfs/dbraw/zinc/69/75/53/804697553.db2.gz KXUOVUBBYICMJS-LBPRGKRZSA-N 1 1 263.772 3.169 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@H](C#N)CC2)c(Cl)n1 ZINC001142140104 804697559 /nfs/dbraw/zinc/69/75/59/804697559.db2.gz KXUOVUBBYICMJS-LBPRGKRZSA-N 1 1 263.772 3.169 20 30 CGEDMO C#CC[C@@H]([NH3+])c1nc(-c2cccc(Cl)c2Cl)no1 ZINC001247608888 804780040 /nfs/dbraw/zinc/78/00/40/804780040.db2.gz AJGQVUKSVPCILQ-SECBINFHSA-N 1 1 282.130 3.067 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cc(F)cc(F)c2F)no1 ZINC001247622395 804782855 /nfs/dbraw/zinc/78/28/55/804782855.db2.gz LMHVXBFFCUVWOG-SNVBAGLBSA-N 1 1 283.253 3.120 20 30 CGEDMO N#Cc1ccc2c(C[N@@H+]3CCc4ncsc4C3)c[nH]c2c1 ZINC001142922401 804784367 /nfs/dbraw/zinc/78/43/67/804784367.db2.gz GRDQCTMHFYSZMP-UHFFFAOYSA-N 1 1 294.383 3.054 20 30 CGEDMO N#Cc1ccc2c(C[N@H+]3CCc4ncsc4C3)c[nH]c2c1 ZINC001142922401 804784370 /nfs/dbraw/zinc/78/43/70/804784370.db2.gz GRDQCTMHFYSZMP-UHFFFAOYSA-N 1 1 294.383 3.054 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2ccc(N3CCCC3)cc2)no1 ZINC001247623072 804784326 /nfs/dbraw/zinc/78/43/26/804784326.db2.gz WQXWUHRWPZFQDQ-HNNXBMFYSA-N 1 1 298.390 3.303 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cccc(C(F)(F)F)n2)no1 ZINC001247623202 804784348 /nfs/dbraw/zinc/78/43/48/804784348.db2.gz YREPXEGRUCBLBN-MRVPVSSYSA-N 1 1 298.268 3.116 20 30 CGEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2ccncc2)no1 ZINC001247640481 804791922 /nfs/dbraw/zinc/79/19/22/804791922.db2.gz SMFRCNRNJIETDP-ZDUSSCGKSA-N 1 1 272.352 3.268 20 30 CGEDMO C[N@H+]1CCC[C@H](CCNc2ccc(CS)cc2)C1 ZINC001165290132 806988471 /nfs/dbraw/zinc/98/84/71/806988471.db2.gz OTDLTZMDTYBRNS-CYBMUJFWSA-N 1 1 264.438 3.260 20 30 CGEDMO COc1cc(C)cc(OC)c1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001143143856 804808569 /nfs/dbraw/zinc/80/85/69/804808569.db2.gz ZUOUZLMZQNICDE-AWEZNQCLSA-N 1 1 288.391 3.138 20 30 CGEDMO COc1cc(C)cc(OC)c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001143143856 804808577 /nfs/dbraw/zinc/80/85/77/804808577.db2.gz ZUOUZLMZQNICDE-AWEZNQCLSA-N 1 1 288.391 3.138 20 30 CGEDMO COc1cc(C)cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1 ZINC001143155858 804810609 /nfs/dbraw/zinc/81/06/09/804810609.db2.gz AWXBPNBWSYNOPL-MKZZRHPPSA-N 1 1 270.376 3.270 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2cccc3ccc(OC)cc32)no1 ZINC001247963993 804857858 /nfs/dbraw/zinc/85/78/58/804857858.db2.gz ZSWWURIFMUMKIS-HNNXBMFYSA-N 1 1 295.342 3.474 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2cccc(Cl)c2F)no1 ZINC001247967435 804859114 /nfs/dbraw/zinc/85/91/14/804859114.db2.gz LPMFXVBCEUPVPS-VIFPVBQESA-N 1 1 267.691 3.105 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2ccc(C)cc2Cl)no1 ZINC001247966979 804859513 /nfs/dbraw/zinc/85/95/13/804859513.db2.gz KHGZOJMATILOFZ-NSHDSACASA-N 1 1 263.728 3.274 20 30 CGEDMO C=CC[C@@H](C)C(=O)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001144014653 804922955 /nfs/dbraw/zinc/92/29/55/804922955.db2.gz RVILQNOHSUQIPJ-OAHLLOKOSA-N 1 1 290.451 3.066 20 30 CGEDMO C[N@@H+](CCF)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257021801 807030185 /nfs/dbraw/zinc/03/01/85/807030185.db2.gz BLNFONKRMFYLRF-UHFFFAOYSA-N 1 1 260.356 3.486 20 30 CGEDMO N#Cc1cncc(C[N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c1 ZINC001144083581 804935137 /nfs/dbraw/zinc/93/51/37/804935137.db2.gz KTKJOBIJYYZLSB-IYBDPMFKSA-N 1 1 275.355 3.040 20 30 CGEDMO C#Cc1cccc(N(CC)C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)c1 ZINC001144135437 804941855 /nfs/dbraw/zinc/94/18/55/804941855.db2.gz RTRUVIGHIFEKJL-WMZOPIPTSA-N 1 1 296.414 3.038 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(C#N)cn1)C1CCCCC1 ZINC001144166445 804947218 /nfs/dbraw/zinc/94/72/18/804947218.db2.gz GPIGJJYANQYZOT-UHFFFAOYSA-N 1 1 255.365 3.274 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1ccc(O)cn1 ZINC001144258750 804963182 /nfs/dbraw/zinc/96/31/82/804963182.db2.gz FEMJFHJCRNQRQM-UHFFFAOYSA-N 1 1 268.360 3.366 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CC[C@H](C)[C@@](C)(O)CC1 ZINC001248748455 804982767 /nfs/dbraw/zinc/98/27/67/804982767.db2.gz KFOCMVAPSRZDLN-KSSFIOAISA-N 1 1 286.419 3.104 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](Cc2ccc(F)c3cc[nH]c32)C1 ZINC001248818422 805007535 /nfs/dbraw/zinc/00/75/35/805007535.db2.gz MBLLHBLXVRHFCR-HNNXBMFYSA-N 1 1 257.312 3.043 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(F)c3cc[nH]c32)C1 ZINC001248818422 805007547 /nfs/dbraw/zinc/00/75/47/805007547.db2.gz MBLLHBLXVRHFCR-HNNXBMFYSA-N 1 1 257.312 3.043 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cccc(C(=O)OC)c1OC ZINC001248920248 805044422 /nfs/dbraw/zinc/04/44/22/805044422.db2.gz KLYMJLYQMQPDMN-UHFFFAOYSA-N 1 1 291.391 3.270 20 30 CGEDMO C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001166517528 807046748 /nfs/dbraw/zinc/04/67/48/807046748.db2.gz FKBZTBUQZPPZBG-NNXHMXCWSA-N 1 1 292.467 3.499 20 30 CGEDMO CCC(CC)[N@@H+](CC)Cc1cnn2ccc(C#N)cc12 ZINC001249114052 805092889 /nfs/dbraw/zinc/09/28/89/805092889.db2.gz SGDVOJRWNGMGIQ-UHFFFAOYSA-N 1 1 270.380 3.216 20 30 CGEDMO CCCCCCC[N@H+]1CCC2(CN(C(=O)C=C(C)C)C2)C1 ZINC001146941116 805100095 /nfs/dbraw/zinc/10/00/95/805100095.db2.gz UEIANQOOHYCZJH-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=C(C)CCC(=O)N1CC2(C1)CC[N@@H+](CCC(C)(C)C)C2 ZINC001147640376 805141927 /nfs/dbraw/zinc/14/19/27/805141927.db2.gz YKQGHSAEGPCAGI-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO N#Cc1ccc2cc(C[NH+]3CC4(C3)CC(F)(F)C4)[nH]c2c1 ZINC001249426127 805146562 /nfs/dbraw/zinc/14/65/62/805146562.db2.gz FQMYYTHFBJJWKH-UHFFFAOYSA-N 1 1 287.313 3.271 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cc3ccc(C#N)cc3[nH]2)CC[C@]1(C)O ZINC001249426348 805146764 /nfs/dbraw/zinc/14/67/64/805146764.db2.gz MXMWRSFQELRGCS-ACJLOTCBSA-N 1 1 297.402 3.022 20 30 CGEDMO N#Cc1ccc2cc(C[N@H+]3CCC[C@@]4(CCOC4)C3)[nH]c2c1 ZINC001249427301 805147617 /nfs/dbraw/zinc/14/76/17/805147617.db2.gz YHKWGZQVKXHUCI-GOSISDBHSA-N 1 1 295.386 3.042 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(CN(C(=O)C3(CC)CCC3)C2)C1 ZINC001148071416 805162162 /nfs/dbraw/zinc/16/21/62/805162162.db2.gz NNPQCUFCKJLPCT-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(CN(C(=O)C[C@@H](C=C)CC)C2)C1 ZINC001148124866 805164976 /nfs/dbraw/zinc/16/49/76/805164976.db2.gz IRFYDBZBZUCWRG-INIZCTEOSA-N 1 1 290.451 3.089 20 30 CGEDMO N#CCc1ccc(Nc2cc[nH+]cc2C(F)(F)F)cc1 ZINC001249586950 805183546 /nfs/dbraw/zinc/18/35/46/805183546.db2.gz KBXNWIIKVDILTH-UHFFFAOYSA-N 1 1 277.249 3.332 20 30 CGEDMO C#Cc1ccc(Nc2cc[nH+]cc2C(F)(F)F)cc1F ZINC001249594233 805184681 /nfs/dbraw/zinc/18/46/81/805184681.db2.gz OTWASMUWZVBJNR-UHFFFAOYSA-N 1 1 280.224 3.386 20 30 CGEDMO N#Cc1c(F)cc(F)cc1Nc1cc[nH+]cc1C(F)(F)F ZINC001249592942 805185143 /nfs/dbraw/zinc/18/51/43/805185143.db2.gz DSQNRUJXPCQSCY-UHFFFAOYSA-N 1 1 299.202 3.416 20 30 CGEDMO N#Cc1cccc(C[NH+]2CC3(C2)CCCCC3)c1F ZINC001249687899 805210935 /nfs/dbraw/zinc/21/09/35/805210935.db2.gz RWODTAZLHGNOSY-UHFFFAOYSA-N 1 1 258.340 3.463 20 30 CGEDMO Cc1cc(Nc2c(C#N)oc3ccccc32)c[nH+]c1N ZINC001249784828 805244017 /nfs/dbraw/zinc/24/40/17/805244017.db2.gz MEQRQBMJVDFPLE-UHFFFAOYSA-N 1 1 264.288 3.334 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](CC)CCCC ZINC001152018995 805332442 /nfs/dbraw/zinc/33/24/42/805332442.db2.gz GAWVFSJLCMODAT-HZPDHXFCSA-N 1 1 280.456 3.053 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)CCC ZINC001152320594 805344285 /nfs/dbraw/zinc/34/42/85/805344285.db2.gz UQNYCWDLNPPDKK-HUUCEWRRSA-N 1 1 268.445 3.215 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)c1ccoc1CC ZINC001153084738 805383403 /nfs/dbraw/zinc/38/34/03/805383403.db2.gz MNXUMOQFSIIVBA-CQSZACIVSA-N 1 1 292.423 3.248 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)c1c(C)coc1C ZINC001153170853 805385342 /nfs/dbraw/zinc/38/53/42/805385342.db2.gz BOHXNJIKRHMBOO-GFCCVEGCSA-N 1 1 298.814 3.089 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)c1c(C)coc1C ZINC001153170853 805385349 /nfs/dbraw/zinc/38/53/49/805385349.db2.gz BOHXNJIKRHMBOO-GFCCVEGCSA-N 1 1 298.814 3.089 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)c1c(C)coc1C ZINC001153177261 805386386 /nfs/dbraw/zinc/38/63/86/805386386.db2.gz VWVMDZCEBYDVEW-CQSZACIVSA-N 1 1 292.423 3.303 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)CC(F)F ZINC001153788205 805416559 /nfs/dbraw/zinc/41/65/59/805416559.db2.gz WBIIFHHDTNNUPT-GFCCVEGCSA-N 1 1 290.398 3.071 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)CCC(C)(F)F ZINC001154056294 805430475 /nfs/dbraw/zinc/43/04/75/805430475.db2.gz YWFNCUOVXHNMAH-CYBMUJFWSA-N 1 1 290.398 3.215 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001154385399 805453850 /nfs/dbraw/zinc/45/38/50/805453850.db2.gz IDQQNQFODBJWBJ-SNPRPXQTSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001154385399 805453854 /nfs/dbraw/zinc/45/38/54/805453854.db2.gz IDQQNQFODBJWBJ-SNPRPXQTSA-N 1 1 298.858 3.002 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)C[C@H](CC)CCCC ZINC001154385681 805453987 /nfs/dbraw/zinc/45/39/87/805453987.db2.gz QYMBTEFEXMUBIY-IAGOWNOFSA-N 1 1 294.483 3.443 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C1CC2(CCC2)C1 ZINC001154725003 805481920 /nfs/dbraw/zinc/48/19/20/805481920.db2.gz XMWALPJMHHSQPZ-CYBMUJFWSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C1CC2(CCC2)C1 ZINC001154725003 805481924 /nfs/dbraw/zinc/48/19/24/805481924.db2.gz XMWALPJMHHSQPZ-CYBMUJFWSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)C1CC1 ZINC001154768590 805482926 /nfs/dbraw/zinc/48/29/26/805482926.db2.gz UQPZAVFVXKNXEP-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CCCCNc1ccc([C@@H]2CCCC[N@@H+]2CC)cn1 ZINC001155018893 805524011 /nfs/dbraw/zinc/52/40/11/805524011.db2.gz AKRDDVJYJDAMEK-INIZCTEOSA-N 1 1 271.408 3.454 20 30 CGEDMO C=CCc1c(Cl)ncnc1NCC[C@H]1CCC[N@H+](C)C1 ZINC001165254499 806982354 /nfs/dbraw/zinc/98/23/54/806982354.db2.gz XIEMQSHWKNDXDL-GFCCVEGCSA-N 1 1 294.830 3.002 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@]12C[C@H]1CCCC2 ZINC001155120747 805542656 /nfs/dbraw/zinc/54/26/56/805542656.db2.gz VDCVJUDMLRMXOW-JFIYKMOQSA-N 1 1 292.467 3.360 20 30 CGEDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+]1C1CCC(C#N)CC1 ZINC001256973168 807020245 /nfs/dbraw/zinc/02/02/45/807020245.db2.gz MEENJSQVGCUQTB-YMAMQOFZSA-N 1 1 292.423 3.265 20 30 CGEDMO N#CC1CCC([N@@H+](C2CCC2)C2CCOCC2)CC1 ZINC001256970953 807020350 /nfs/dbraw/zinc/02/03/50/807020350.db2.gz IFKIIRKQTMXSGT-UHFFFAOYSA-N 1 1 262.397 3.102 20 30 CGEDMO COC[C@@H]1CC[N@H+]1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257023037 807028864 /nfs/dbraw/zinc/02/88/64/807028864.db2.gz TWKRSPPLWGJNRC-ABHNRTSZSA-N 1 1 284.403 3.305 20 30 CGEDMO Cc1[nH+]c(N(C)CCc2cccs2)ccc1CC#N ZINC001166679360 807080020 /nfs/dbraw/zinc/08/00/20/807080020.db2.gz GCJYEFMFRYSURR-UHFFFAOYSA-N 1 1 271.389 3.197 20 30 CGEDMO CCC#C[C@H](C)[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC001166990370 807122182 /nfs/dbraw/zinc/12/21/82/807122182.db2.gz JTBVFOKUMUZHII-HNNXBMFYSA-N 1 1 279.387 3.032 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC001166990370 807122185 /nfs/dbraw/zinc/12/21/85/807122185.db2.gz JTBVFOKUMUZHII-HNNXBMFYSA-N 1 1 279.387 3.032 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)CC12CC(C)(C1)OC2 ZINC001167023629 807131322 /nfs/dbraw/zinc/13/13/22/807131322.db2.gz IPKHZDKFBPAOOQ-UHFFFAOYSA-N 1 1 284.403 3.339 20 30 CGEDMO CCCCOC(=O)CC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001257401154 807138737 /nfs/dbraw/zinc/13/87/37/807138737.db2.gz YGAQGILVSLOJPB-YHUYYLMFSA-N 1 1 292.423 3.265 20 30 CGEDMO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@H]2CCCC[C@H]2C)c1 ZINC001167072993 807143046 /nfs/dbraw/zinc/14/30/46/807143046.db2.gz WWZLWYGDXPCRGA-WBVHZDCISA-N 1 1 298.430 3.365 20 30 CGEDMO C[C@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001167628296 807219161 /nfs/dbraw/zinc/21/91/61/807219161.db2.gz BPGCOJPJWOBTSO-IFXJQAMLSA-N 1 1 292.382 3.211 20 30 CGEDMO C#CC[N@H+](C)C1CCC(OCc2ccccc2)CC1 ZINC001257833745 807223744 /nfs/dbraw/zinc/22/37/44/807223744.db2.gz GDQHRUCZXXFNIK-UHFFFAOYSA-N 1 1 257.377 3.079 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCCC4(COC4)C3)C[C@H](C1)C2 ZINC001257891452 807240940 /nfs/dbraw/zinc/24/09/40/807240940.db2.gz JSQYFYLHMIONKX-XYPWUTKMSA-N 1 1 261.409 3.234 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+](CC)CCCC(=O)OC)C[C@H](C1)C2 ZINC001257891391 807241494 /nfs/dbraw/zinc/24/14/94/807241494.db2.gz HVWGBSVHZZYTLF-XYPWUTKMSA-N 1 1 279.424 3.396 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CCO[C@@H]2C[C@H](CO)C[C@@H]21 ZINC001258045187 807274022 /nfs/dbraw/zinc/27/40/22/807274022.db2.gz YFVWPEMKWWLIDR-VVLHAWIVSA-N 1 1 283.456 3.207 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CCCN(C(C)=O)CC1 ZINC001258043216 807274063 /nfs/dbraw/zinc/27/40/63/807274063.db2.gz MLJCYMYMGKIJKT-HNNXBMFYSA-N 1 1 268.445 3.290 20 30 CGEDMO CCCCCCC[C@@H](C)[N@@H+]1CCn2c(C)nnc2C1 ZINC001258049616 807275608 /nfs/dbraw/zinc/27/56/08/807275608.db2.gz LZLRSBRGAQVIFV-CYBMUJFWSA-N 1 1 264.417 3.151 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1CCn2c(C)nnc2C1 ZINC001258049616 807275615 /nfs/dbraw/zinc/27/56/15/807275615.db2.gz LZLRSBRGAQVIFV-CYBMUJFWSA-N 1 1 264.417 3.151 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC001258049332 807275756 /nfs/dbraw/zinc/27/57/56/807275756.db2.gz FDIKGHGNHIYSJZ-ZBFHGGJFSA-N 1 1 282.428 3.310 20 30 CGEDMO CCCCCCC[C@H](C)[N@@H+]1CC(=O)N2CCC[C@H]2C1 ZINC001258050474 807276905 /nfs/dbraw/zinc/27/69/05/807276905.db2.gz VSQHFWVTZOECPK-GJZGRUSLSA-N 1 1 266.429 3.042 20 30 CGEDMO CCCCCCC[C@H](C)N1CC[NH+](CC(C)(C)O)CC1 ZINC001258052197 807278375 /nfs/dbraw/zinc/27/83/75/807278375.db2.gz MLEUGBPZZDPUQO-INIZCTEOSA-N 1 1 284.488 3.124 20 30 CGEDMO N#Cc1ccc(O[C@@H]2CCC[N@H+]([C@H]3C[C@H]4C[C@H]4C3)C2)cc1 ZINC001167947884 807279608 /nfs/dbraw/zinc/27/96/08/807279608.db2.gz IWIOFYJSMABZBO-MUQADHOPSA-N 1 1 282.387 3.200 20 30 CGEDMO N#Cc1cccc(O[C@H]2CCC[N@H+]([C@@H]3C[C@H]4C[C@H]4C3)C2)c1 ZINC001167950086 807281629 /nfs/dbraw/zinc/28/16/29/807281629.db2.gz BDOVIRJHDNBBCU-DFGXFYAUSA-N 1 1 282.387 3.200 20 30 CGEDMO CC1CCC([N@H+]2CCc3ccc(C#N)cc3C2)CC1 ZINC001168210422 807349033 /nfs/dbraw/zinc/34/90/33/807349033.db2.gz ONNITALIXXTFIG-UHFFFAOYSA-N 1 1 254.377 3.495 20 30 CGEDMO CSCC[C@@H](C)[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001258214955 807369393 /nfs/dbraw/zinc/36/93/93/807369393.db2.gz KRVZGISMMZTGBI-GFCCVEGCSA-N 1 1 260.406 3.058 20 30 CGEDMO C[C@H](Cc1cccc(F)c1)[N@H+]1CCC[C@H](C#N)CC1 ZINC001168497095 807435996 /nfs/dbraw/zinc/43/59/96/807435996.db2.gz MOBSBJJNWBNRNQ-KGLIPLIRSA-N 1 1 260.356 3.382 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168872125 807533254 /nfs/dbraw/zinc/53/32/54/807533254.db2.gz KYAYEWZICBXJIQ-UONOGXRCSA-N 1 1 282.428 3.282 20 30 CGEDMO C=CCC[C@H](C)N[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC001258720005 807568925 /nfs/dbraw/zinc/56/89/25/807568925.db2.gz OOFSBZYSGASUBX-FZMZJTMJSA-N 1 1 297.240 3.393 20 30 CGEDMO C=CCC[C@@H](C)[NH2+]C1CCN(CC2CCC2)CC1 ZINC001258721224 807570184 /nfs/dbraw/zinc/57/01/84/807570184.db2.gz PXPZNRMJILLTKH-CQSZACIVSA-N 1 1 250.430 3.195 20 30 CGEDMO C=CCC[C@H](C)[NH2+][C@@H](CC(C)(C)F)C(=O)OCC ZINC001258721743 807570221 /nfs/dbraw/zinc/57/02/21/807570221.db2.gz DTLLHLNSIKXUBM-RYUDHWBXSA-N 1 1 259.365 3.001 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@](O)(C(F)(F)F)[C@H](C)C1 ZINC001258724797 807573110 /nfs/dbraw/zinc/57/31/10/807573110.db2.gz FBGAKRBPMDRCEH-FRRDWIJNSA-N 1 1 279.346 3.366 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(c2ccc(F)cn2)CC1 ZINC001258724978 807573599 /nfs/dbraw/zinc/57/35/99/807573599.db2.gz HEGRDVFTHBWMHJ-CQSZACIVSA-N 1 1 277.387 3.088 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CCN(C)C)Cc1ccccc1 ZINC001258724842 807573735 /nfs/dbraw/zinc/57/37/35/807573735.db2.gz BVCSAFXLEGQBQE-MRXNPFEDSA-N 1 1 260.425 3.405 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](CC(=O)OCC)C1 ZINC001258726419 807575246 /nfs/dbraw/zinc/57/52/46/807575246.db2.gz SLKOQUMEGUHVRR-KBPBESRZSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](CC(=O)OCC)C1 ZINC001258726421 807574999 /nfs/dbraw/zinc/57/49/99/807574999.db2.gz SLKOQUMEGUHVRR-UONOGXRCSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1Cc2cn(CC)nc2[C@H](COCC)C1 ZINC001258728364 807575034 /nfs/dbraw/zinc/57/50/34/807575034.db2.gz NYRWBFISAQSLIV-ZBFHGGJFSA-N 1 1 291.439 3.193 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1Cc2c(cnn2CC)[C@@H](COCC)C1 ZINC001258729464 807575829 /nfs/dbraw/zinc/57/58/29/807575829.db2.gz VINBRGRAEZJUJY-HUUCEWRRSA-N 1 1 291.439 3.193 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]2OCCC[C@@]2(COCC=C)C1 ZINC001258729843 807576606 /nfs/dbraw/zinc/57/66/06/807576606.db2.gz ZCUDSSDVOLIQNH-BZSNNMDCSA-N 1 1 293.451 3.415 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](CC(=O)OC)Cc1ccccc1 ZINC001258732993 807579043 /nfs/dbraw/zinc/57/90/43/807579043.db2.gz SRFIOTMNAQBUNB-CQSZACIVSA-N 1 1 261.365 3.016 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CC(=O)OC)Cc1ccccc1 ZINC001258732993 807579048 /nfs/dbraw/zinc/57/90/48/807579048.db2.gz SRFIOTMNAQBUNB-CQSZACIVSA-N 1 1 261.365 3.016 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](N2Cc3ccccc3C2=O)C1 ZINC001258732830 807579373 /nfs/dbraw/zinc/57/93/73/807579373.db2.gz CGLOICLQUVPJTF-HOCLYGCPSA-N 1 1 284.403 3.071 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CCc2nc(C(=O)OCC)sc2C1 ZINC001258733282 807579763 /nfs/dbraw/zinc/57/97/63/807579763.db2.gz YMWIYNKTSRNDAO-LLVKDONJSA-N 1 1 294.420 3.033 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CCC[C@H](C(=O)OCC)[C@H]1C ZINC001258734671 807580655 /nfs/dbraw/zinc/58/06/55/807580655.db2.gz HXOPBFVGJBCAQJ-MCIONIFRSA-N 1 1 253.386 3.005 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](N2CCCCC2)[C@@H](F)C1 ZINC001258736433 807582129 /nfs/dbraw/zinc/58/21/29/807582129.db2.gz SPQBJFXDYIITMO-PMPSAXMXSA-N 1 1 268.420 3.239 20 30 CGEDMO C=CCC[C@@H](C)N1CC[C@H]([NH+]2CCCCC2)[C@@H](F)C1 ZINC001258736433 807582131 /nfs/dbraw/zinc/58/21/31/807582131.db2.gz SPQBJFXDYIITMO-PMPSAXMXSA-N 1 1 268.420 3.239 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](N2CCCCC2)[C@@H](F)C1 ZINC001258736430 807582658 /nfs/dbraw/zinc/58/26/58/807582658.db2.gz SPQBJFXDYIITMO-HRCADAONSA-N 1 1 268.420 3.239 20 30 CGEDMO C=CCC[C@H](C)N1CC[C@@H]([NH+]2CCCCC2)[C@@H](F)C1 ZINC001258736430 807582660 /nfs/dbraw/zinc/58/26/60/807582660.db2.gz SPQBJFXDYIITMO-HRCADAONSA-N 1 1 268.420 3.239 20 30 CGEDMO C=CC[N@@H+](C1CCCCC1)[C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169155040 807596980 /nfs/dbraw/zinc/59/69/80/807596980.db2.gz WKLJIAONPQTBFQ-BJWYYQGGSA-N 1 1 262.441 3.432 20 30 CGEDMO C=CC[C@H]([NH2+]C(CC(C)C)CC(C)C)C(=O)OC ZINC001258831440 807647467 /nfs/dbraw/zinc/64/74/67/807647467.db2.gz QPPNHCBWBHYQPN-AWEZNQCLSA-N 1 1 255.402 3.155 20 30 CGEDMO C#CCOCC[N@H+](C)Cc1ccc([C@H](C)C(F)(F)F)cc1 ZINC001261262384 807725411 /nfs/dbraw/zinc/72/54/11/807725411.db2.gz VYDPOKTULNLXAU-ZDUSSCGKSA-N 1 1 299.336 3.434 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001261360654 807738464 /nfs/dbraw/zinc/73/84/64/807738464.db2.gz SICJNANYCKEKCE-KGLIPLIRSA-N 1 1 282.391 3.435 20 30 CGEDMO C=C(CC)C[N@H+]1CCCC[C@@H]1COC(=O)N1CCCC1 ZINC001170141868 807774083 /nfs/dbraw/zinc/77/40/83/807774083.db2.gz WXLMHXBPZPDBFF-OAHLLOKOSA-N 1 1 280.412 3.040 20 30 CGEDMO C=CCOC[C@H]1CCC[C@@]12C[N@@H+]([C@H]1CC[C@@H](C)C1)CCO2 ZINC001170145013 807775095 /nfs/dbraw/zinc/77/50/95/807775095.db2.gz REFUFRLTJFANFJ-ZJPYXAASSA-N 1 1 293.451 3.249 20 30 CGEDMO C[C@@]1(CO)CC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170378747 807832365 /nfs/dbraw/zinc/83/23/65/807832365.db2.gz KDBZPTVRMCSXIE-JLAWEPINSA-N 1 1 298.430 3.095 20 30 CGEDMO N#CC1(c2ccccc2)CCC([N@H+]2CC[C@@]23CCOC3)CC1 ZINC001170397671 807834695 /nfs/dbraw/zinc/83/46/95/807834695.db2.gz FXKFKIZGPFOJOT-ACBHZAAOSA-N 1 1 296.414 3.255 20 30 CGEDMO C=CCn1ccc2c1nc[nH+]c2NCOc1ccccc1 ZINC001170807134 807912023 /nfs/dbraw/zinc/91/20/23/807912023.db2.gz XSPGYERHCQCIKR-UHFFFAOYSA-N 1 1 280.331 3.066 20 30 CGEDMO Cc1cc2c[nH+]c(N[C@@H]3CCc4c3cccc4C#N)nc2[nH]1 ZINC001171059213 807976968 /nfs/dbraw/zinc/97/69/68/807976968.db2.gz HTIZCPPRTZMYJK-OAHLLOKOSA-N 1 1 289.342 3.189 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CCCC1(F)F ZINC001171193695 808005525 /nfs/dbraw/zinc/00/55/25/808005525.db2.gz YEGXTAQVVJKTPQ-RISCZKNCSA-N 1 1 264.319 3.267 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC001171221692 808012851 /nfs/dbraw/zinc/01/28/51/808012851.db2.gz SHFLMISFHOPMMK-DNVCBOLYSA-N 1 1 291.398 3.374 20 30 CGEDMO CCC[N@@H+]([C@H](C)Cc1cccc(C#N)c1)C1CCOCC1 ZINC001171227871 808013421 /nfs/dbraw/zinc/01/34/21/808013421.db2.gz BPPZFLKWBHZTBH-OAHLLOKOSA-N 1 1 286.419 3.380 20 30 CGEDMO CC(C)[N@@H+]([C@@H](C)Cc1cccc(C#N)c1)C1CCOCC1 ZINC001171232962 808016060 /nfs/dbraw/zinc/01/60/60/808016060.db2.gz YAABREISLXHFQP-HNNXBMFYSA-N 1 1 286.419 3.379 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)/C(C)=C\CC)C[C@@H]2C1 ZINC001264084767 808033545 /nfs/dbraw/zinc/03/35/45/808033545.db2.gz VWWFUIJTFGPSKY-GKQNIKTISA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)C1CCC1 ZINC001264366288 808060435 /nfs/dbraw/zinc/06/04/35/808060435.db2.gz AGSFSBSKAAREHH-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC1CCCCCC1 ZINC001264372762 808063860 /nfs/dbraw/zinc/06/38/60/808063860.db2.gz MEORGDMTQHDGCO-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C2CCCC2)[C@H]1C ZINC001264727121 808087649 /nfs/dbraw/zinc/08/76/49/808087649.db2.gz AVWNBBFBXPDPPU-INMHGKMJSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@H]1C[N@H+](C)C[C@H](C)CC ZINC001264739410 808090221 /nfs/dbraw/zinc/09/02/21/808090221.db2.gz YGGXZFRTZYTFBO-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@@H+](C)CCCNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001265015234 808103200 /nfs/dbraw/zinc/10/32/00/808103200.db2.gz HVCMRCHCNDUECV-OSYLJGHBSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCCNC(=O)[C@@H]1CC[C@H](C)C1 ZINC001265136683 808112770 /nfs/dbraw/zinc/11/27/70/808112770.db2.gz DLAKJTNXUPPFDT-JKSUJKDBSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CCC[N@@H+](C/C=C\Cl)C2)CCC1 ZINC001265224920 808122367 /nfs/dbraw/zinc/12/23/67/808122367.db2.gz NJSCDMQPKMADOA-MFNCVGGLSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CCC[N@H+](C/C=C\Cl)C2)CCC1 ZINC001265224920 808122372 /nfs/dbraw/zinc/12/23/72/808122372.db2.gz NJSCDMQPKMADOA-MFNCVGGLSA-N 1 1 296.842 3.066 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC2(C)C)C1 ZINC001265278534 808125521 /nfs/dbraw/zinc/12/55/21/808125521.db2.gz HRINKNWVRNFDCR-LSDHHAIUSA-N 1 1 280.456 3.193 20 30 CGEDMO CCC[C@](C)(C#N)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171738536 808128737 /nfs/dbraw/zinc/12/87/37/808128737.db2.gz KGZPLEAESOEPEA-KBAYOESNSA-N 1 1 285.435 3.321 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001265319695 808132052 /nfs/dbraw/zinc/13/20/52/808132052.db2.gz PYAKMGYUUSRODV-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](C)CC)C1 ZINC001265384278 808136828 /nfs/dbraw/zinc/13/68/28/808136828.db2.gz FQBSPBYAIAUSRV-HZPDHXFCSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)C2CCC(=C)CC2)C1 ZINC001265394436 808138733 /nfs/dbraw/zinc/13/87/33/808138733.db2.gz CBJPZHLDGFZSCE-MRXNPFEDSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@](C)(F)CCCC)C1 ZINC001265587070 808158565 /nfs/dbraw/zinc/15/85/65/808158565.db2.gz VEFJNOXPKAEUCS-RDJZCZTQSA-N 1 1 298.446 3.309 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](CCC)C(C)C)C1 ZINC001265593142 808158991 /nfs/dbraw/zinc/15/89/91/808158991.db2.gz QHIUUYHZBWITAP-HZPDHXFCSA-N 1 1 280.456 3.073 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](CC)CCCCC)C1 ZINC001265596599 808159547 /nfs/dbraw/zinc/15/95/47/808159547.db2.gz GQIRUUQKYNLOFJ-SJORKVTESA-N 1 1 292.467 3.054 20 30 CGEDMO CC1(C)C[C@H](N2CC[C@@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC001171987736 808164776 /nfs/dbraw/zinc/16/47/76/808164776.db2.gz IMLJVFWFDDDMRF-ZWKOTPCHSA-N 1 1 297.446 3.275 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)[C@@H]1CCN(CC)C(=O)C1 ZINC001172043777 808168479 /nfs/dbraw/zinc/16/84/79/808168479.db2.gz PLENWBFXWUUDMV-QGZVFWFLSA-N 1 1 286.419 3.076 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)C2CC2)C1 ZINC001265706073 808172718 /nfs/dbraw/zinc/17/27/18/808172718.db2.gz QLSPACNJXJOZSY-HUUCEWRRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCNC(=O)c1ccc(C)c(C)c1 ZINC001265965141 808196588 /nfs/dbraw/zinc/19/65/88/808196588.db2.gz VRNONBSFVUMXIU-UHFFFAOYSA-N 1 1 294.826 3.108 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCNC(=O)c1ccc(C)c(C)c1 ZINC001265965141 808196591 /nfs/dbraw/zinc/19/65/91/808196591.db2.gz VRNONBSFVUMXIU-UHFFFAOYSA-N 1 1 294.826 3.108 20 30 CGEDMO N#C[C@H]1CCC[N@H+]([C@H]2CSc3ccccc3C2)CC1 ZINC001172206767 808198514 /nfs/dbraw/zinc/19/85/14/808198514.db2.gz ULALJURSVZSBAW-DZGCQCFKSA-N 1 1 272.417 3.329 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)CC2(C)CC2)C1 ZINC001266105395 808212533 /nfs/dbraw/zinc/21/25/33/808212533.db2.gz MYUNYAWFGQVXMO-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)CCCC2CC2)C1 ZINC001266107901 808213242 /nfs/dbraw/zinc/21/32/42/808213242.db2.gz LZGKDYJXDPJZAD-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]([N@H+](C)C[C@@H](F)CC)C1 ZINC001266110178 808213308 /nfs/dbraw/zinc/21/33/08/808213308.db2.gz CBEDNGVQTHDTLJ-LSDHHAIUSA-N 1 1 284.419 3.014 20 30 CGEDMO CC(C)N1CC[C@@H]([NH2+][C@H](C)Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001172308608 808223589 /nfs/dbraw/zinc/22/35/89/808223589.db2.gz LLQLLPHMVXWBTN-FRQCXROJSA-N 1 1 299.462 3.198 20 30 CGEDMO C=CCCC(=O)NCCC[C@H]1CCC[N@H+]1CC1CCC1 ZINC001266204221 808227459 /nfs/dbraw/zinc/22/74/59/808227459.db2.gz SAFRKCXVNQOYKT-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC2(CCC2)C1 ZINC001172320263 808229236 /nfs/dbraw/zinc/22/92/36/808229236.db2.gz UKAUIFJAMAVBMD-AWEZNQCLSA-N 1 1 254.377 3.365 20 30 CGEDMO C=CC(C)(C)CC(=O)NCC[N@H+](C)CC1CCC(C)CC1 ZINC001266278877 808236846 /nfs/dbraw/zinc/23/68/46/808236846.db2.gz VAVWENBBURVWMR-UHFFFAOYSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@H+](C)CCNC(=O)[C@@H](CC)C1CCC(C)CC1 ZINC001266280905 808237136 /nfs/dbraw/zinc/23/71/36/808237136.db2.gz YHMMJXGQOCPDJB-JCYILVPMSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@H](NC(=O)c2ccsc2)C1 ZINC001266302494 808238700 /nfs/dbraw/zinc/23/87/00/808238700.db2.gz QNIDZDOIOVXIRH-HNNXBMFYSA-N 1 1 292.448 3.299 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)[C@@H](C)[C@H](C)C(C)(C)C ZINC001266338173 808244141 /nfs/dbraw/zinc/24/41/41/808244141.db2.gz YITQGAWKZDESOE-GJZGRUSLSA-N 1 1 282.472 3.319 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CCC[C@H]1C(N)=O ZINC001172359043 808254161 /nfs/dbraw/zinc/25/41/61/808254161.db2.gz SVWLBBKDOJQVMM-KGLIPLIRSA-N 1 1 254.418 3.075 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)C[C@H]1CCC[C@@H]1C ZINC001266392444 808255718 /nfs/dbraw/zinc/25/57/18/808255718.db2.gz HSLWLGXVUFITOR-JKSUJKDBSA-N 1 1 280.456 3.217 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H]1CNC(=O)C(C)(F)F ZINC001266443748 808265780 /nfs/dbraw/zinc/26/57/80/808265780.db2.gz RZTQPDQJFWYVOA-ZDUSSCGKSA-N 1 1 290.398 3.193 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC[C@H](C[N@H+](C)CCC)C1 ZINC001266466212 808270779 /nfs/dbraw/zinc/27/07/79/808270779.db2.gz KUTQFKISNCBYSJ-JKSUJKDBSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](CNC(=O)C2CCCCC2)C1 ZINC001266498597 808277525 /nfs/dbraw/zinc/27/75/25/808277525.db2.gz YKAJSDDXEHXTMP-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)[C@H](C)C1CCCC1 ZINC001266575726 808289738 /nfs/dbraw/zinc/28/97/38/808289738.db2.gz ZXCMRZTXPJXWHW-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCCF)C1 ZINC001266659778 808303424 /nfs/dbraw/zinc/30/34/24/808303424.db2.gz RSSBXJJKDPOPQT-JKSUJKDBSA-N 1 1 296.430 3.015 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H](CNC(=O)C(F)F)C1 ZINC001266737635 808309939 /nfs/dbraw/zinc/30/99/39/808309939.db2.gz ZZTIJIWVFALEQU-CYBMUJFWSA-N 1 1 290.398 3.050 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1CCCC[N@@H+]1CC=C(C)C ZINC001266848945 808323729 /nfs/dbraw/zinc/32/37/29/808323729.db2.gz JAVWCAFEFGTEAZ-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCCC(=O)N[C@H](C)[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001266895676 808333815 /nfs/dbraw/zinc/33/38/15/808333815.db2.gz RFNACRFWSCLCJW-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO CCCC[N@@H+](CCC#N)[C@H](C)CCOCC(C)C ZINC001172468838 808337055 /nfs/dbraw/zinc/33/70/55/808337055.db2.gz NYWMDJYIKWIJBO-OAHLLOKOSA-N 1 1 254.418 3.453 20 30 CGEDMO C[C@@H](CCCC#N)[NH+]1CCC(N)(c2ccc(F)cc2)CC1 ZINC001172488975 808349410 /nfs/dbraw/zinc/34/94/10/808349410.db2.gz XKUYANZTYVHESW-AWEZNQCLSA-N 1 1 289.398 3.158 20 30 CGEDMO CCOC[C@@]12CCC[C@@H]1C[N@H+]([C@@H](C)CCCC#N)C2 ZINC001172494581 808353061 /nfs/dbraw/zinc/35/30/61/808353061.db2.gz IICAGAZLIFMBEI-XHSDSOJGSA-N 1 1 264.413 3.207 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001172499195 808355675 /nfs/dbraw/zinc/35/56/75/808355675.db2.gz BWAKDSAEUYNKEF-DOTOQJQBSA-N 1 1 297.402 3.484 20 30 CGEDMO CCCCCCC[C@@H](CCC)[NH2+]CCN1CCN(C)CC1 ZINC001172501000 808356183 /nfs/dbraw/zinc/35/61/83/808356183.db2.gz FLQJKUZLHDJIMC-GOSISDBHSA-N 1 1 297.531 3.353 20 30 CGEDMO C[C@H](CCCC#N)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC001172499983 808356235 /nfs/dbraw/zinc/35/62/35/808356235.db2.gz HVCPMOXLMHCSGV-LLVKDONJSA-N 1 1 251.761 3.249 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC001172505198 808359969 /nfs/dbraw/zinc/35/99/69/808359969.db2.gz KRPANOARTLLRHP-CZUORRHYSA-N 1 1 276.355 3.361 20 30 CGEDMO C#Cc1ccc(C(=O)N2CCC[C@H]([N@H+](C)CCCC)C2)cc1 ZINC001267107662 808360770 /nfs/dbraw/zinc/36/07/70/808360770.db2.gz FYUDGWNJDGDIEK-SFHVURJKSA-N 1 1 298.430 3.004 20 30 CGEDMO C[C@@H](CCCC#N)[N@@H+](C)C[C@H]1Cc2ccccc2O1 ZINC001172506196 808362587 /nfs/dbraw/zinc/36/25/87/808362587.db2.gz PVFQLIDZBKNBOL-DZGCQCFKSA-N 1 1 258.365 3.004 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCC(=O)[C@H](C)C12CCCC2 ZINC001172506488 808363161 /nfs/dbraw/zinc/36/31/61/808363161.db2.gz UVDVWGRXYVTPJT-KGLIPLIRSA-N 1 1 262.397 3.292 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CC[C@@H](C(=O)c2ccccc2)C1 ZINC001172508012 808363685 /nfs/dbraw/zinc/36/36/85/808363685.db2.gz AWGZSLSHBCPFSL-GOEBONIOSA-N 1 1 270.376 3.274 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCOC[C@H]1Cc1ccccc1 ZINC001172510151 808366175 /nfs/dbraw/zinc/36/61/75/808366175.db2.gz WIJYMQSIDKQIEX-DOTOQJQBSA-N 1 1 272.392 3.012 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C1CCC(F)CC1 ZINC001267175324 808372788 /nfs/dbraw/zinc/37/27/88/808372788.db2.gz SKWDLHYMKRWTFP-GPANFISMSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C/C(C)=C/CC(=O)NCCC[C@H]1CCC[N@@H+]1CC(=C)C ZINC001267173067 808373192 /nfs/dbraw/zinc/37/31/92/808373192.db2.gz FEBAIQIDXQXXTN-KGZWWPETSA-N 1 1 290.451 3.446 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)C(C)(C)C1CCCC1 ZINC001267199322 808380301 /nfs/dbraw/zinc/38/03/01/808380301.db2.gz LJZNAJWSKFTTCF-UHFFFAOYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001267251477 808396465 /nfs/dbraw/zinc/39/64/65/808396465.db2.gz HEVAQWFVKBAGOX-BQFCYCMXSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1CNC(=O)CCCC1CCCC1 ZINC001267283185 808405076 /nfs/dbraw/zinc/40/50/76/808405076.db2.gz JPWXSAFWQZEOTP-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@@H+](CCC)CCNC(=O)c1cc(C)oc1C ZINC001267311433 808410063 /nfs/dbraw/zinc/41/00/63/808410063.db2.gz QYTSRJAMRLZUGO-UHFFFAOYSA-N 1 1 292.423 3.304 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+]([C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172722233 808419229 /nfs/dbraw/zinc/41/92/29/808419229.db2.gz RSBJDMJPXLLJQF-BLLLJJGKSA-N 1 1 274.795 3.433 20 30 CGEDMO C=CC[N@@H+](C1CCCCC1)C1CCN(C(=O)OC)CC1 ZINC001172739644 808425472 /nfs/dbraw/zinc/42/54/72/808425472.db2.gz MYVBSZZUPQPSDE-UHFFFAOYSA-N 1 1 280.412 3.038 20 30 CGEDMO C=C(C)CC[N@H+](CCCNC(=O)CC(F)(F)F)C(C)C ZINC001267498215 808433214 /nfs/dbraw/zinc/43/32/14/808433214.db2.gz NNCSXOKWSOWKBO-UHFFFAOYSA-N 1 1 294.361 3.122 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](CCNC(=O)C2CCCCC2)C1 ZINC001267502306 808434810 /nfs/dbraw/zinc/43/48/10/808434810.db2.gz QPEQXCJQRVEBKM-AWEZNQCLSA-N 1 1 298.858 3.147 20 30 CGEDMO CCCC[N@@H+](CCC#N)[C@@H]1CCC[C@H](C(=O)OC)CC1 ZINC001172790623 808440568 /nfs/dbraw/zinc/44/05/68/808440568.db2.gz CMOZZRKTQGKRBU-LSDHHAIUSA-N 1 1 280.412 3.124 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H]1CCC[C@H](C(=O)OC)CC1 ZINC001172792430 808441071 /nfs/dbraw/zinc/44/10/71/808441071.db2.gz BEUDVLOMKRQXGL-UONOGXRCSA-N 1 1 253.386 3.006 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)/C=C(/C)C2CC2)C1 ZINC001267550886 808445575 /nfs/dbraw/zinc/44/55/75/808445575.db2.gz FZWHXGXVVPKJSB-RTYFKUQISA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)C2(C)CCCC2)C1 ZINC001267553037 808446410 /nfs/dbraw/zinc/44/64/10/808446410.db2.gz YBPHQODQSSGTHC-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)C(C)(C)C(=C)C)C1 ZINC001267561495 808447981 /nfs/dbraw/zinc/44/79/81/808447981.db2.gz ONNIFYMOIRQFEB-MRXNPFEDSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CCC)C(C)C)C1 ZINC001267589267 808453925 /nfs/dbraw/zinc/45/39/25/808453925.db2.gz IJZWBWZYEGTZPA-IRXDYDNUSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CCNC(=O)C2(F)CCCCC2)C1 ZINC001267594202 808455591 /nfs/dbraw/zinc/45/55/91/808455591.db2.gz AVNILRPEXKHQJX-HNNXBMFYSA-N 1 1 296.430 3.063 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C/C=C(\C)C=C)C1 ZINC001267618848 808459083 /nfs/dbraw/zinc/45/90/83/808459083.db2.gz TYMJQAONRCMBKK-AAGJOFLKSA-N 1 1 276.424 3.056 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)CCC(C)C)C1 ZINC001267625512 808460996 /nfs/dbraw/zinc/46/09/96/808460996.db2.gz MBFUPOCLLWWOEQ-INIZCTEOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[NH+]1CCN([C@H](C)Cc2c(F)cccc2Cl)CC1 ZINC001172852689 808461729 /nfs/dbraw/zinc/46/17/29/808461729.db2.gz HUFHQHIDLGSPKT-CYBMUJFWSA-N 1 1 296.817 3.214 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@@H](C[N@@H+](C)CC(=C)Cl)C1 ZINC001267684840 808471115 /nfs/dbraw/zinc/47/11/15/808471115.db2.gz SOMXETRGEHCQRU-HOCLYGCPSA-N 1 1 298.858 3.122 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@](C)(CC)CCCCC ZINC001267715753 808474735 /nfs/dbraw/zinc/47/47/35/808474735.db2.gz BCAFFTATEILYEO-BQFCYCMXSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@](C)(CC)CCCCC ZINC001267715753 808474740 /nfs/dbraw/zinc/47/47/40/808474740.db2.gz BCAFFTATEILYEO-BQFCYCMXSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@](C)(CC)CCCCC ZINC001267715754 808474940 /nfs/dbraw/zinc/47/49/40/808474940.db2.gz BCAFFTATEILYEO-XYJFISCASA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@](C)(CC)CCCCC ZINC001267715754 808474944 /nfs/dbraw/zinc/47/49/44/808474944.db2.gz BCAFFTATEILYEO-XYJFISCASA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)CCC2CCC2)C1 ZINC001267765204 808486794 /nfs/dbraw/zinc/48/67/94/808486794.db2.gz WYVJXOFRPDNREK-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2cocc2C)C1 ZINC001267771003 808487716 /nfs/dbraw/zinc/48/77/16/808487716.db2.gz WRVYGUDIZFPGHQ-HUUCEWRRSA-N 1 1 290.407 3.089 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H](C=C)c2ccccc2)C1 ZINC001267794381 808495473 /nfs/dbraw/zinc/49/54/73/808495473.db2.gz NVBRRRXRPBNRDP-QZTJIDSGSA-N 1 1 298.430 3.065 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC23CC3)C1 ZINC001267966002 808521532 /nfs/dbraw/zinc/52/15/32/808521532.db2.gz BWEFMYCCOZWJSG-CVEARBPZSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)CC(CC)CC)C1 ZINC001268112877 808543123 /nfs/dbraw/zinc/54/31/23/808543123.db2.gz VNIITJVBDXKQRM-MRXNPFEDSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CCC(=O)N(C)CC[N@@H+](C)Cc1ccc(F)cc1 ZINC001268239342 808566169 /nfs/dbraw/zinc/56/61/69/808566169.db2.gz MKMPFCGOHVZJQU-UHFFFAOYSA-N 1 1 292.398 3.072 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)c1ccc(C)cc1C ZINC001268255671 808570040 /nfs/dbraw/zinc/57/00/40/808570040.db2.gz DHBJRMJNVZERMH-UHFFFAOYSA-N 1 1 288.435 3.273 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001268253360 808570493 /nfs/dbraw/zinc/57/04/93/808570493.db2.gz QABVRWVSRIAGHN-BHYGNILZSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)C(CC(C)C)CC(C)C)C1 ZINC001268491175 808593273 /nfs/dbraw/zinc/59/32/73/808593273.db2.gz FHFQVMMWISKIHH-UHFFFAOYSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCOC1CCC([N@H+]2CC[C@@H](C)[C@H](F)C2)CC1 ZINC001173321349 808611339 /nfs/dbraw/zinc/61/13/39/808611339.db2.gz IYNGSAIKNSBKNC-XSCHDIRWSA-N 1 1 255.377 3.180 20 30 CGEDMO C=CCOC1CCC([N@@H+](C)Cc2ccc(C)nc2)CC1 ZINC001173323318 808611359 /nfs/dbraw/zinc/61/13/59/808611359.db2.gz VBJZIIPUTQAGOH-UHFFFAOYSA-N 1 1 274.408 3.336 20 30 CGEDMO C=CC[N@H+](C)C[C@H](C)NC(=O)c1ccc(C)c(Cl)c1F ZINC001268741438 808619511 /nfs/dbraw/zinc/61/95/11/808619511.db2.gz ZPUWTNVXNBNTCD-NSHDSACASA-N 1 1 298.789 3.024 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H](C)C[N@H+](C)C[C@H](C)CC(C)C ZINC001268741175 808619458 /nfs/dbraw/zinc/61/94/58/808619458.db2.gz PCGHXVHPVYCRKD-CABCVRRESA-N 1 1 282.472 3.317 20 30 CGEDMO C=CCCCC(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1F ZINC001268743783 808619608 /nfs/dbraw/zinc/61/96/08/808619608.db2.gz VHKFZAGHCBEKRS-AWEZNQCLSA-N 1 1 292.398 3.119 20 30 CGEDMO C=CCCCC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1F ZINC001268743783 808619613 /nfs/dbraw/zinc/61/96/13/808619613.db2.gz VHKFZAGHCBEKRS-AWEZNQCLSA-N 1 1 292.398 3.119 20 30 CGEDMO N#CCC1CCC([N@H+]2CCC[C@@H](Oc3cccnc3)C2)CC1 ZINC001173339096 808620274 /nfs/dbraw/zinc/62/02/74/808620274.db2.gz LOQGXRSUZVQNEN-LEOMRAHMSA-N 1 1 299.418 3.397 20 30 CGEDMO N#CCC1CCC([N@H+]2CC[C@@H](Oc3cccnc3)C2)CC1 ZINC001173339941 808620430 /nfs/dbraw/zinc/62/04/30/808620430.db2.gz VUQRLVPXZVKFGC-VMBOVVBDSA-N 1 1 285.391 3.007 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)C=C(C)C)C1 ZINC001268996415 808641265 /nfs/dbraw/zinc/64/12/65/808641265.db2.gz MXYZACWKEFFMIG-HNNXBMFYSA-N 1 1 266.429 3.114 20 30 CGEDMO C=CCCCC[N@H+](C)[C@H](C)CCCCC(=O)OC ZINC001173462820 808642228 /nfs/dbraw/zinc/64/22/28/808642228.db2.gz YOPQFCGLHMBSLU-CQSZACIVSA-N 1 1 255.402 3.396 20 30 CGEDMO N#C[C@H]1CCC[N@H+](C2Cc3cc(F)c(F)cc3C2)CC1 ZINC001173488100 808645466 /nfs/dbraw/zinc/64/54/66/808645466.db2.gz UQDIOZPQLJTUDE-NSHDSACASA-N 1 1 276.330 3.058 20 30 CGEDMO C[C@@H]1c2cccn2CC[N@@H+]1C1CCC(C)(C#N)CC1 ZINC001173596894 808650141 /nfs/dbraw/zinc/65/01/41/808650141.db2.gz ACJHGECGYMKYGM-VQCLRJIVSA-N 1 1 257.381 3.337 20 30 CGEDMO C[C@@H]1c2cccn2CC[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173596894 808650146 /nfs/dbraw/zinc/65/01/46/808650146.db2.gz ACJHGECGYMKYGM-VQCLRJIVSA-N 1 1 257.381 3.337 20 30 CGEDMO CN1CC[N@H+](C2CCC(C)(C#N)CC2)C[C@@H]1c1ccccc1 ZINC001173596214 808650297 /nfs/dbraw/zinc/65/02/97/808650297.db2.gz NXSZGOBKJQQZKI-JLAWEPINSA-N 1 1 297.446 3.448 20 30 CGEDMO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCC(C)(C#N)CC1 ZINC001173597738 808651241 /nfs/dbraw/zinc/65/12/41/808651241.db2.gz HKBYNKKCGPMHKS-KDJGIRDZSA-N 1 1 262.397 3.101 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)CCCC2CCCCC2)C1 ZINC001269193595 808653505 /nfs/dbraw/zinc/65/35/05/808653505.db2.gz NLYJEMGQPREREP-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1CC[N@@H+]1C/C=C/c1ccccc1 ZINC001269272969 808661980 /nfs/dbraw/zinc/66/19/80/808661980.db2.gz QBXTWSOTIOMBNM-YRYLYKBFSA-N 1 1 298.430 3.103 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1CC[N@H+]1C/C=C/c1ccccc1 ZINC001269272969 808661982 /nfs/dbraw/zinc/66/19/82/808661982.db2.gz QBXTWSOTIOMBNM-YRYLYKBFSA-N 1 1 298.430 3.103 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)CCCCC(C)C)C1 ZINC001269279718 808663016 /nfs/dbraw/zinc/66/30/16/808663016.db2.gz CFEVBGAPSLGFFI-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC(C)(C)C(=O)N(C)[C@@H]1CC[N@H+](CC/C=C\CC)C1 ZINC001269279968 808663526 /nfs/dbraw/zinc/66/35/26/808663526.db2.gz GJAJQSYKAKMIHC-HLRDLLSLSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N(C)[C@@H]1CC[N@H+](CC/C=C/CC)C1 ZINC001269274578 808664064 /nfs/dbraw/zinc/66/40/64/808664064.db2.gz MKQZJLBJJNHXPT-NKHMXISVSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(C)=O)C1 ZINC001269553355 808687637 /nfs/dbraw/zinc/68/76/37/808687637.db2.gz QWEMVIPQSLVDGS-ROUUACIJSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC(C)(C)C=C ZINC001269592752 808690324 /nfs/dbraw/zinc/69/03/24/808690324.db2.gz GUEXOQBZPRTUCB-CVEARBPZSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC)C2 ZINC001269691661 808697352 /nfs/dbraw/zinc/69/73/52/808697352.db2.gz FPOSIPVVTHPGFZ-AEFFLSMTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@]2(CC[N@H+](CC(C)C)C2)C1 ZINC001269742631 808702624 /nfs/dbraw/zinc/70/26/24/808702624.db2.gz UWZSRFFIZFELKW-SFHVURJKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)C[C@H](C)C2CCCCC2)C1 ZINC001270642787 808741629 /nfs/dbraw/zinc/74/16/29/808741629.db2.gz OGMNMVPZVBURLT-YJBOKZPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@](C)(CNC(=O)C(C)(C)C2CCC2)C1 ZINC001270982245 808757305 /nfs/dbraw/zinc/75/73/05/808757305.db2.gz GWUKXZMONRBBDI-GOSISDBHSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)C[C@H](C)CC(C)C)C1 ZINC001271008108 808758846 /nfs/dbraw/zinc/75/88/46/808758846.db2.gz URNGZYYVVWGTHV-AEFFLSMTSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CN(C(=O)C[C@@H](CC)C(C)C)C[C@H]2C1 ZINC001271892670 808788479 /nfs/dbraw/zinc/78/84/79/808788479.db2.gz VIYNESHVQMFBLJ-ZACQAIPSSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)CCN(C)C(=O)/C=C(\C)CC ZINC001272004683 808791709 /nfs/dbraw/zinc/79/17/09/808791709.db2.gz KIWDRIMBJQIKAM-SZGUKTLCSA-N 1 1 266.429 3.088 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](CC)CCC ZINC001272043175 808794486 /nfs/dbraw/zinc/79/44/86/808794486.db2.gz LGSODYNHPKRYDV-BRWVUGGUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)C=C(CC)CC)[C@@H]2C1 ZINC001272062377 808795719 /nfs/dbraw/zinc/79/57/19/808795719.db2.gz IREBMHMUOMNYKK-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CN1CC[C@]2(CCC[N@H+](CCCCC)CC2)C1=O ZINC001272470169 808810632 /nfs/dbraw/zinc/81/06/32/808810632.db2.gz FRJBYSFTYKWDST-GOSISDBHSA-N 1 1 292.467 3.457 20 30 CGEDMO N#CCc1ccccc1Nc1cc[nH+]c2ccccc12 ZINC001174040147 808839949 /nfs/dbraw/zinc/83/99/49/808839949.db2.gz UNFIVXFNBQOKPB-UHFFFAOYSA-N 1 1 259.312 3.466 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)Cc1cccs1 ZINC001273481221 808846706 /nfs/dbraw/zinc/84/67/06/808846706.db2.gz CQJLJXJSJROEMR-UHFFFAOYSA-N 1 1 294.464 3.037 20 30 CGEDMO C=CC[N@H+](C)CCCN(C)C(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001273566503 808855678 /nfs/dbraw/zinc/85/56/78/808855678.db2.gz VCXLPPBNNRPVTJ-YJBOKZPZSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)CC)C(C)(C)C1 ZINC001274417514 808874589 /nfs/dbraw/zinc/87/45/89/808874589.db2.gz WDDZLMUINQHEHN-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](C/C=C\Cl)[C@H](C)C1 ZINC001274622047 808879570 /nfs/dbraw/zinc/87/95/70/808879570.db2.gz ADONYEMIFFCPIW-CWIKABRRSA-N 1 1 284.831 3.064 20 30 CGEDMO C=CCCC(=O)N1CCC(C[N@H+](CC)C[C@@H](F)CC)CC1 ZINC001274945212 808894152 /nfs/dbraw/zinc/89/41/52/808894152.db2.gz DWPAARNFIQISML-INIZCTEOSA-N 1 1 298.446 3.261 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CCC(C)C ZINC001275086527 808906305 /nfs/dbraw/zinc/90/63/05/808906305.db2.gz CSYLMYHXGOPBGZ-AWEZNQCLSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)CCC(C)C ZINC001275086527 808906309 /nfs/dbraw/zinc/90/63/09/808906309.db2.gz CSYLMYHXGOPBGZ-AWEZNQCLSA-N 1 1 286.847 3.098 20 30 CGEDMO C#Cc1ccc(CN2CC[C@H]3C[N@H+](C4CCCC4)C[C@H]32)cc1 ZINC001275132434 808914218 /nfs/dbraw/zinc/91/42/18/808914218.db2.gz SRKUSQMYJDWNGW-AZUAARDMSA-N 1 1 294.442 3.117 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)C1(CCC)CC1 ZINC001275143023 808915132 /nfs/dbraw/zinc/91/51/32/808915132.db2.gz GVLJDHHIHDLLDX-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](CCC)C(C)C ZINC001275150654 808918013 /nfs/dbraw/zinc/91/80/13/808918013.db2.gz KYXHGNKBGQQEIM-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)/C=C(/C)CC)C2)C1 ZINC001275184608 808919865 /nfs/dbraw/zinc/91/98/65/808919865.db2.gz QTUTVQMHWOSGAJ-XQOFYJNGSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)/C=C(\C)CC)C2)C1 ZINC001275184606 808920083 /nfs/dbraw/zinc/92/00/83/808920083.db2.gz QTUTVQMHWOSGAJ-LHGWUTHLSA-N 1 1 290.451 3.089 20 30 CGEDMO Cc1cc(Cl)nc(Nc2ccc3[nH+]ccn3c2)c1C#N ZINC001174278928 808926272 /nfs/dbraw/zinc/92/62/72/808926272.db2.gz SMBPFFJBEVHNJU-UHFFFAOYSA-N 1 1 283.722 3.306 20 30 CGEDMO N#Cc1c(F)ccc(F)c1Nc1ccc2[nH+]ccn2c1 ZINC001174279647 808928989 /nfs/dbraw/zinc/92/89/89/808928989.db2.gz GHZBPHKVIRKSFZ-UHFFFAOYSA-N 1 1 270.242 3.228 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)c1sccc1C ZINC001275498000 808942498 /nfs/dbraw/zinc/94/24/98/808942498.db2.gz XRFAGFSOEZAINK-CYBMUJFWSA-N 1 1 280.437 3.073 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)C1(C)CCCCC1 ZINC001275636906 808954426 /nfs/dbraw/zinc/95/44/26/808954426.db2.gz HRZRTRWCFWONAR-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C[C@H](CNC(=O)C#CC(C)(C)C)[N@@H+](C)CCC1CCCC1 ZINC001275827486 808969438 /nfs/dbraw/zinc/96/94/38/808969438.db2.gz JAKSVOXCOINLET-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)c1cccc(Cl)c1C ZINC001275834259 808969965 /nfs/dbraw/zinc/96/99/65/808969965.db2.gz DFRXEASSJPWPEO-GFCCVEGCSA-N 1 1 294.826 3.275 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)C1CCCCCCC1 ZINC001275875183 808972526 /nfs/dbraw/zinc/97/25/26/808972526.db2.gz ZKKJXEQUIYAPDR-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)c1cccc(C)c1Cl ZINC001275963615 808980742 /nfs/dbraw/zinc/98/07/42/808980742.db2.gz QVZWLSISOAADQL-ZDUSSCGKSA-N 1 1 294.826 3.275 20 30 CGEDMO C#CCCCN1CC2(CC[N@@H+]2C[C@@H](CC)CCCC)C1 ZINC001275975384 808981309 /nfs/dbraw/zinc/98/13/09/808981309.db2.gz ASWYCZCQFYOPCJ-KRWDZBQOSA-N 1 1 276.468 3.376 20 30 CGEDMO N#Cc1ccccc1Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001174446545 809017122 /nfs/dbraw/zinc/01/71/22/809017122.db2.gz RBQISKRMURRUCH-UHFFFAOYSA-N 1 1 293.370 3.134 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1C[N@H+](CCC(C)(C)C)CC1(C)C ZINC001276601783 809020843 /nfs/dbraw/zinc/02/08/43/809020843.db2.gz SJUTUORLLQMJQP-AWEZNQCLSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](CC(C)C)CC1(C)C ZINC001276602393 809021253 /nfs/dbraw/zinc/02/12/53/809021253.db2.gz ZJEGQACBMKOYNB-LSDHHAIUSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(CC)CC)C[C@@H]2C1 ZINC001276822265 809034713 /nfs/dbraw/zinc/03/47/13/809034713.db2.gz XKVPYMCPYSLKBB-GVDBMIGSSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC(=O)N1CC2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001276856036 809037303 /nfs/dbraw/zinc/03/73/03/809037303.db2.gz WWJGZHNTFLWXHL-UHFFFAOYSA-N 1 1 298.430 3.077 20 30 CGEDMO C=C[C@@H](CC(=O)NC[C@@H]1CC[N@@H+]1CC(=C)C)c1ccccc1 ZINC001276978464 809051543 /nfs/dbraw/zinc/05/15/43/809051543.db2.gz MDXAEQSAVAUTSL-WMZOPIPTSA-N 1 1 298.430 3.113 20 30 CGEDMO CCCCCCCCC[N@H+]1C[C@@H]2CC[C@H](C1)[C@H]2C(N)=O ZINC001277234052 809064169 /nfs/dbraw/zinc/06/41/69/809064169.db2.gz WHHKRTMJRJLIMN-MUJYYYPQSA-N 1 1 280.456 3.180 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)[C@H]1C[C@@H]1C)C1CCCCCC1 ZINC001277369417 809070508 /nfs/dbraw/zinc/07/05/08/809070508.db2.gz YDNQVOVNGNTZOP-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CCC(=O)N1CCC([N@@H+](C)CC(=C)Cl)CC1 ZINC001277403486 809072315 /nfs/dbraw/zinc/07/23/15/809072315.db2.gz IHEYPCJQEUSWEW-UHFFFAOYSA-N 1 1 284.831 3.018 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC001277422699 809073603 /nfs/dbraw/zinc/07/36/03/809073603.db2.gz HRARHVKSOCJKGY-HNNXBMFYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@]2(CCN(C(=O)CCCC)C2)C1 ZINC001277502087 809077502 /nfs/dbraw/zinc/07/75/02/809077502.db2.gz IIFGPMPJXOQZDS-AEFFLSMTSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)CCC)C2)C1 ZINC001277530587 809078866 /nfs/dbraw/zinc/07/88/66/809078866.db2.gz DRMNPOJGSZDKHX-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCCC(=O)N1CC[C@]2(CC[N@H+](C/C=C/Cl)C2)C1 ZINC001277530809 809079235 /nfs/dbraw/zinc/07/92/35/809079235.db2.gz GRMVMSLNYYWZHG-RDTXFTJFSA-N 1 1 296.842 3.020 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)CC)C2)C1 ZINC001277531103 809079310 /nfs/dbraw/zinc/07/93/10/809079310.db2.gz KZWOQRRQCDMDTL-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO N#CCCCN1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001277943567 809107090 /nfs/dbraw/zinc/10/70/90/809107090.db2.gz YYDQBBQTXWAYQZ-QGZVFWFLSA-N 1 1 275.440 3.021 20 30 CGEDMO CCCC[C@H](CC)C[N@H+]1CCC12CN(CCCC#N)C2 ZINC001277943056 809107407 /nfs/dbraw/zinc/10/74/07/809107407.db2.gz LIFLXAQMWYBZRG-INIZCTEOSA-N 1 1 277.456 3.267 20 30 CGEDMO C=CC[N@@H+](C[C@H]1CCC[C@]2(CCOC2)O1)C(C)(C)C ZINC001174642575 809114672 /nfs/dbraw/zinc/11/46/72/809114672.db2.gz WBBGBPOFAIHDFZ-GDBMZVCRSA-N 1 1 267.413 3.001 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@]1(C)CC[N@H+](C/C=C/Cl)C1 ZINC001278394597 809129720 /nfs/dbraw/zinc/12/97/20/809129720.db2.gz BZVSWCREOUOQLJ-VGZDNEPHSA-N 1 1 296.842 3.088 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@]1(C)CC[N@@H+](C/C=C/Cl)C1 ZINC001278394597 809129723 /nfs/dbraw/zinc/12/97/23/809129723.db2.gz BZVSWCREOUOQLJ-VGZDNEPHSA-N 1 1 296.842 3.088 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@](C)(NC(=O)[C@H](F)C(C)C)C1 ZINC001278420699 809131423 /nfs/dbraw/zinc/13/14/23/809131423.db2.gz OLUABNNUVYUKLG-WBVHZDCISA-N 1 1 298.446 3.308 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)CC(C)(C)C2CC2)[C@H]1C ZINC001278511950 809138637 /nfs/dbraw/zinc/13/86/37/809138637.db2.gz YWJVQWOCZYKRQG-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)CC(C)=C(C)C)[C@H]1C ZINC001278520884 809140467 /nfs/dbraw/zinc/14/04/67/809140467.db2.gz KAEDXBPNSKVNEW-CVEARBPZSA-N 1 1 278.440 3.278 20 30 CGEDMO C#CCCCCCC[N@@H+]1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC001174734395 809145980 /nfs/dbraw/zinc/14/59/80/809145980.db2.gz HCOIQXUKLXJEDZ-DZGCQCFKSA-N 1 1 273.367 3.315 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@](C)(CNC(=O)CC2CCC2)C1 ZINC001278653130 809149233 /nfs/dbraw/zinc/14/92/33/809149233.db2.gz JEIKHGUZSJAUMN-GOSISDBHSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](CC)CC(C)C ZINC001279585787 809176025 /nfs/dbraw/zinc/17/60/25/809176025.db2.gz DDGHGUZGOHURNF-BRWVUGGUSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@@H](CC)CCC)CC1 ZINC001279660324 809176938 /nfs/dbraw/zinc/17/69/38/809176938.db2.gz CTQQURIABYTMNR-INIZCTEOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@H](C)[C@@H](C)CC)CC1 ZINC001279661020 809176985 /nfs/dbraw/zinc/17/69/85/809176985.db2.gz JWPLSRVTTBLVIK-JKSUJKDBSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](C3CCCCC3)C2)C1=O ZINC001174863735 809181555 /nfs/dbraw/zinc/18/15/55/809181555.db2.gz TWUSDUVXRMAKAH-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C/C=C(/C)C=C)CC1 ZINC001280758131 809197022 /nfs/dbraw/zinc/19/70/22/809197022.db2.gz ZUJPDJCTOYBNKG-TYWAAFNRSA-N 1 1 276.424 3.056 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)C(C)(C)C)C(C)(C)C1 ZINC001281559324 809215780 /nfs/dbraw/zinc/21/57/80/809215780.db2.gz WVGJHNLKGAWTMI-LSDHHAIUSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)CCC(=C)C)C[C@H]1C ZINC001281665800 809216812 /nfs/dbraw/zinc/21/68/12/809216812.db2.gz UGDSACURBAOIRA-HZPDHXFCSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)CCC(=C)C)C[C@@H]1C ZINC001281665801 809216847 /nfs/dbraw/zinc/21/68/47/809216847.db2.gz UGDSACURBAOIRA-JKSUJKDBSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)CCCC2CC2)C[C@@H]1C ZINC001281673577 809218210 /nfs/dbraw/zinc/21/82/10/809218210.db2.gz DSTGSRGAGAROBL-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@H+](CC)CC1CCN(C(=O)[C@]2(C)C=CCC2)CC1 ZINC001281833365 809221459 /nfs/dbraw/zinc/22/14/59/809221459.db2.gz JXCXAVQDZBVZGF-GOSISDBHSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC[N@H+](CC)CC1CCN(C(=O)C[C@H](C)CC)CC1 ZINC001281830396 809221497 /nfs/dbraw/zinc/22/14/97/809221497.db2.gz FLSXRHCXKDLEKC-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)CCC ZINC001281919821 809223898 /nfs/dbraw/zinc/22/38/98/809223898.db2.gz QFTNFFWRUPFNOX-LSDHHAIUSA-N 1 1 266.429 3.064 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC12CCC2 ZINC001281956204 809225353 /nfs/dbraw/zinc/22/53/53/809225353.db2.gz WVJALMQYIXCUHB-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)c1ccc(C)s1 ZINC001282345022 809241330 /nfs/dbraw/zinc/24/13/30/809241330.db2.gz YZXJMPPMVHHUJA-GFCCVEGCSA-N 1 1 280.437 3.073 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)c1ccccc1C ZINC001282343784 809242181 /nfs/dbraw/zinc/24/21/81/809242181.db2.gz MSLAIYSCJCALAU-HNNXBMFYSA-N 1 1 274.408 3.011 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)C1CCCCCC1 ZINC001282365852 809245521 /nfs/dbraw/zinc/24/55/21/809245521.db2.gz YUEVNCDDSZUXGW-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@](C)(F)CCCC)C(C)(C)C1 ZINC001282812269 809263699 /nfs/dbraw/zinc/26/36/99/809263699.db2.gz NDJBGBBBNSVNIP-PBHICJAKSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)CCC)C[C@H]2C1 ZINC001282957531 809266252 /nfs/dbraw/zinc/26/62/52/809266252.db2.gz GYDJRHIANRYAKG-HRCADAONSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCCC(=O)N1C[C@]2(C)C[N@H+](CC(=C)C)C[C@]2(C)C1 ZINC001282992725 809267887 /nfs/dbraw/zinc/26/78/87/809267887.db2.gz MPNKFGWPTXSDQD-HDICACEKSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCCCC(=O)N[C@]12CCC[C@H]1[N@@H+](CCCC)CC2 ZINC001284070336 809294894 /nfs/dbraw/zinc/29/48/94/809294894.db2.gz SMZKTWKBNINHFB-WBVHZDCISA-N 1 1 278.440 3.256 20 30 CGEDMO C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)/C=C(/C)CC)CC1 ZINC001284683990 809313910 /nfs/dbraw/zinc/31/39/10/809313910.db2.gz JCPLHMXFFWVRIX-GAJOTYCWSA-N 1 1 298.858 3.312 20 30 CGEDMO CCC#C[C@H](C)N1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001175351353 809372142 /nfs/dbraw/zinc/37/21/42/809372142.db2.gz LDBVKYPPTWBNBP-ZWKOTPCHSA-N 1 1 276.468 3.375 20 30 CGEDMO C#Cc1ccc(C(=O)N(C)CC[N@@H+](C)C2CCCCC2)cc1 ZINC001292810917 809437842 /nfs/dbraw/zinc/43/78/42/809437842.db2.gz YYNAHLILYDLENG-UHFFFAOYSA-N 1 1 298.430 3.004 20 30 CGEDMO N#Cc1cccc([C@@H](O)C[N@H+]2CCC[C@@H](C3CCC3)CC2)c1 ZINC001175610595 809472646 /nfs/dbraw/zinc/47/26/46/809472646.db2.gz GXMXXXVLFRISPI-MJGOQNOKSA-N 1 1 298.430 3.494 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)cc1 ZINC001176088194 809620387 /nfs/dbraw/zinc/62/03/87/809620387.db2.gz UKXOUHBTBVCKRA-UXHICEINSA-N 1 1 288.394 3.374 20 30 CGEDMO C#CC[N@H+](C[C@H](C)COCc1ccccc1)C(C)C ZINC001176373011 809680959 /nfs/dbraw/zinc/68/09/59/809680959.db2.gz LWCFEZZOAOKNJG-INIZCTEOSA-N 1 1 259.393 3.183 20 30 CGEDMO C#CC[N@@H+](C[C@@H](O)c1ccc(Cl)c(Cl)c1)C(C)C ZINC001176373515 809681705 /nfs/dbraw/zinc/68/17/05/809681705.db2.gz QWMATGBYEXAXAT-CQSZACIVSA-N 1 1 286.202 3.370 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1ccc(C2(C(=O)OC)CC2)cc1 ZINC001176815911 809763857 /nfs/dbraw/zinc/76/38/57/809763857.db2.gz YPPCOLJBKQFCGX-INIZCTEOSA-N 1 1 285.387 3.042 20 30 CGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H](C3CCCC3)C2)cc1 ZINC001176932724 809769854 /nfs/dbraw/zinc/76/98/54/809769854.db2.gz PXYZARQTENPNSS-RBUKOAKNSA-N 1 1 298.430 3.494 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCCC[C@@]23CCCOC3)cc1 ZINC001177015163 809774459 /nfs/dbraw/zinc/77/44/59/809774459.db2.gz GBXPQLGCYZUVQH-SFHVURJKSA-N 1 1 284.403 3.288 20 30 CGEDMO CCCCCCCCC(=O)N[C@H]1C[N@@H+](C)CC1(C)C ZINC001178710275 809885002 /nfs/dbraw/zinc/88/50/02/809885002.db2.gz YODSCZHNWLHKAO-AWEZNQCLSA-N 1 1 268.445 3.193 20 30 CGEDMO CCCCCCC[C@H](C)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001181123605 810038847 /nfs/dbraw/zinc/03/88/47/810038847.db2.gz VSHQRZCUVMFNSN-HRCADAONSA-N 1 1 280.456 3.003 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@H](C)CC(C)(C)C ZINC001182176153 810097518 /nfs/dbraw/zinc/09/75/18/810097518.db2.gz XZVBILJGOZWPRO-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO Cc1csc2nc(C)c(C[N@@H+]3CCC[C@@H](CC#N)C3)n12 ZINC001182854125 810127866 /nfs/dbraw/zinc/12/78/66/810127866.db2.gz FTGBNGGKTOHWAR-ZDUSSCGKSA-N 1 1 288.420 3.138 20 30 CGEDMO Cc1csc2nc(C)c(C[N@H+]3CCC[C@@H](CC#N)C3)n12 ZINC001182854125 810127869 /nfs/dbraw/zinc/12/78/69/810127869.db2.gz FTGBNGGKTOHWAR-ZDUSSCGKSA-N 1 1 288.420 3.138 20 30 CGEDMO C=CCCC[N@H+](CC)CC(C)(C)CC(=O)OCC ZINC001184189723 810181759 /nfs/dbraw/zinc/18/17/59/810181759.db2.gz YGUQGMPERCMRSM-UHFFFAOYSA-N 1 1 255.402 3.254 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)CC)[C@@H]2C1 ZINC001186867386 810367728 /nfs/dbraw/zinc/36/77/28/810367728.db2.gz WQAFYRUIFSUEIG-YESZJQIVSA-N 1 1 292.467 3.312 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)c2ccoc2)C1 ZINC001188869100 810519217 /nfs/dbraw/zinc/51/92/17/810519217.db2.gz CLLKOYHRGJIATA-INIZCTEOSA-N 1 1 292.423 3.396 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)CC)C1 ZINC001188924869 810523340 /nfs/dbraw/zinc/52/33/40/810523340.db2.gz IREZUUJITKUTTF-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)C(CC)CC)C1 ZINC001188939884 810525878 /nfs/dbraw/zinc/52/58/78/810525878.db2.gz FSEZJAPUSBDZPU-ZBFHGGJFSA-N 1 1 280.456 3.310 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CCC)C(C)C)[C@@H]2C1 ZINC001189293361 810556212 /nfs/dbraw/zinc/55/62/12/810556212.db2.gz QWKCOZCLGOGEBN-GVDBMIGSSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)C(C)C)C1 ZINC001189327509 810558884 /nfs/dbraw/zinc/55/88/84/810558884.db2.gz NKMDSGMNYBNGST-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CCC2CC2)C1 ZINC001189450170 810570156 /nfs/dbraw/zinc/57/01/56/810570156.db2.gz ORODUYWDEJUEJQ-GOEBONIOSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)/C(C)=C\C)C1 ZINC001189582482 810579847 /nfs/dbraw/zinc/57/98/47/810579847.db2.gz HNSMRCHJRFXYHX-PJVYJYFWSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)C2=CCCC2)C1 ZINC001189631751 810583735 /nfs/dbraw/zinc/58/37/35/810583735.db2.gz HUENQBUYUMQBQP-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C=C(CC)CC)C1 ZINC001189664622 810583825 /nfs/dbraw/zinc/58/38/25/810583825.db2.gz QCNILOASYQKKMY-MRXNPFEDSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)CC(C)C)[C@@H]2C1 ZINC001189764670 810588042 /nfs/dbraw/zinc/58/80/42/810588042.db2.gz XFZSLSRKZFVFDG-YESZJQIVSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001190307172 810618594 /nfs/dbraw/zinc/61/85/94/810618594.db2.gz HQGJKBTWAKSTQN-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)C(C)C)C1 ZINC001190344933 810621167 /nfs/dbraw/zinc/62/11/67/810621167.db2.gz NANNJTWXOJABGH-HNNXBMFYSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2C=CCCC2)C1 ZINC001190869036 810654277 /nfs/dbraw/zinc/65/42/77/810654277.db2.gz JCZBBEIKUFQWLL-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO CO[C@@]1(C)C[C@H]([N@@H+](C)CC2CCC(C#N)CC2)C1(C)C ZINC001191202000 810688428 /nfs/dbraw/zinc/68/84/28/810688428.db2.gz CRQYIAIJVGGTEB-NDTCATRNSA-N 1 1 278.440 3.452 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)C2CCCCCCC2)C1 ZINC001191275976 810697117 /nfs/dbraw/zinc/69/71/17/810697117.db2.gz YWVYHTIMNOWKEF-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)C2(CC(C)C)CCC2)C1 ZINC001191295989 810699090 /nfs/dbraw/zinc/69/90/90/810699090.db2.gz PEFLMRZFRSEHAJ-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO CCO[C@H]1C[C@H]([N@@H+](C)CCc2ccc(C#N)cc2)C12CCC2 ZINC001191549519 810724448 /nfs/dbraw/zinc/72/44/48/810724448.db2.gz COVQYAKIYVBWDV-ROUUACIJSA-N 1 1 298.430 3.380 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001191590895 810726309 /nfs/dbraw/zinc/72/63/09/810726309.db2.gz HXYJXGWGUOXQNX-SOUVJXGZSA-N 1 1 294.439 3.023 20 30 CGEDMO C#CCCCCCC(=O)N1CC[C@H]([N@@H+](C)CC=C(C)C)C1 ZINC001191721555 810732267 /nfs/dbraw/zinc/73/22/67/810732267.db2.gz YCLIUWXUDCXZDQ-KRWDZBQOSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)C=C)C1 ZINC001191720005 810733172 /nfs/dbraw/zinc/73/31/72/810733172.db2.gz PQORLBNAOXFOLT-GJZGRUSLSA-N 1 1 278.440 3.086 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)C2(C)CCC2)C1 ZINC001191754579 810736421 /nfs/dbraw/zinc/73/64/21/810736421.db2.gz QTBFAJCAAQNCNH-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C/C(C)=C/CC(=O)N1CC[C@@H]([N@@H+](C)CCC(=C)C)C1 ZINC001191827349 810746904 /nfs/dbraw/zinc/74/69/04/810746904.db2.gz DFANJDHSQDERLM-UBYXTUIOSA-N 1 1 276.424 3.008 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CC[C@H]([N@H+](C)CCCCC)C1 ZINC001191911445 810756336 /nfs/dbraw/zinc/75/63/36/810756336.db2.gz GCQUNMGOUOKKEJ-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[C@@H]([N@@H+](C)CCC(=C)C)C1 ZINC001192162344 810772403 /nfs/dbraw/zinc/77/24/03/810772403.db2.gz OKBQALPZZTUGIN-NVXWUHKLSA-N 1 1 278.440 3.088 20 30 CGEDMO CCCCCCC[C@H](C)NC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC001192944455 810831832 /nfs/dbraw/zinc/83/18/32/810831832.db2.gz TUDMICWNJHJIAW-LSDHHAIUSA-N 1 1 283.460 3.129 20 30 CGEDMO CC(C)c1cccc(C[NH+]2CCN([C@H](C#N)C(C)C)CC2)c1 ZINC001192948501 810834025 /nfs/dbraw/zinc/83/40/25/810834025.db2.gz XJUCQCSHDIUOBL-LJQANCHMSA-N 1 1 299.462 3.476 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)CCC(C)(C)C)C1 ZINC001192970423 810837672 /nfs/dbraw/zinc/83/76/72/810837672.db2.gz UERZYFSMFMGRHL-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)CC[C@@H](C)CC)C1 ZINC001193025315 810843413 /nfs/dbraw/zinc/84/34/13/810843413.db2.gz CLPHKCRQEUWGGD-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@](C)(CC)CCC)C1 ZINC001193077526 810851985 /nfs/dbraw/zinc/85/19/85/810851985.db2.gz JOYKISKOIXNZNO-WBVHZDCISA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)CC(C)C)C1 ZINC001193100090 810856933 /nfs/dbraw/zinc/85/69/33/810856933.db2.gz SWJYNCOWIYCPHN-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C2(F)CCCCC2)C1 ZINC001193244059 810865255 /nfs/dbraw/zinc/86/52/55/810865255.db2.gz MECBJKPFGUCOBD-OAHLLOKOSA-N 1 1 296.430 3.158 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)CC(C)C)C1 ZINC001193350584 810876393 /nfs/dbraw/zinc/87/63/93/810876393.db2.gz RPSXMFNCTDXTGY-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001193365934 810878615 /nfs/dbraw/zinc/87/86/15/810878615.db2.gz VBFZJFSTGCXRDM-KBPBESRZSA-N 1 1 263.331 3.379 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)CC(C)C)C1 ZINC001193408651 810883921 /nfs/dbraw/zinc/88/39/21/810883921.db2.gz OLVKZDDDTXMWQQ-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)C[C@H](CC)C(C)C)C1 ZINC001193560028 810908942 /nfs/dbraw/zinc/90/89/42/810908942.db2.gz NYJFNTXBRVFJFH-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@H](C)C2(CCCCC2)C1 ZINC001193637635 810925934 /nfs/dbraw/zinc/92/59/34/810925934.db2.gz ZNYRXCSOOGWGNV-KBPBESRZSA-N 1 1 265.397 3.006 20 30 CGEDMO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@H](C)C2(CCCCC2)C1 ZINC001193637635 810925941 /nfs/dbraw/zinc/92/59/41/810925941.db2.gz ZNYRXCSOOGWGNV-KBPBESRZSA-N 1 1 265.397 3.006 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1COC(=O)N1CCCCC1 ZINC001194108124 811016538 /nfs/dbraw/zinc/01/65/38/811016538.db2.gz PIKVSWCHQLISJE-HNNXBMFYSA-N 1 1 280.412 3.040 20 30 CGEDMO C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CCC)CC(C)C)C1 ZINC001194368691 811061576 /nfs/dbraw/zinc/06/15/76/811061576.db2.gz XLYBWOYCQPASCA-IAGOWNOFSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCN(C(=O)CCSC)CC1 ZINC001194776797 811132114 /nfs/dbraw/zinc/13/21/14/811132114.db2.gz CKCKPQABVDLVMM-UHFFFAOYSA-N 1 1 298.496 3.020 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)/C(C)=C\CC)CC1 ZINC001195080134 811198507 /nfs/dbraw/zinc/19/85/07/811198507.db2.gz ZBKMJBQJDQGQAH-TYWAAFNRSA-N 1 1 278.440 3.232 20 30 CGEDMO C#CCCCCCC[N@H+](C)C[C@@](C)(O)c1ccccc1 ZINC001195357759 811247317 /nfs/dbraw/zinc/24/73/17/811247317.db2.gz GRECGANGYXOKNS-GOSISDBHSA-N 1 1 273.420 3.410 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@H](F)C2)CC1 ZINC001195768544 811289266 /nfs/dbraw/zinc/28/92/66/811289266.db2.gz DAHMVSHDBHAHIR-HOTGVXAUSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[N@@H+](CC2CCCC2)CC1 ZINC001196009603 811309698 /nfs/dbraw/zinc/30/96/98/811309698.db2.gz BLGKIVJJTAVNOV-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)C(C)(C)C(=C)C)CC1 ZINC001196724330 811360045 /nfs/dbraw/zinc/36/00/45/811360045.db2.gz GZHBHUUAMPZSEU-UHFFFAOYSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@]2(C)C=CCC2)CC1 ZINC001196781873 811366402 /nfs/dbraw/zinc/36/64/02/811366402.db2.gz BOLOXBDAWGVMGH-FUHWJXTLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@H+](CC(CC)CC)CC1 ZINC001196828691 811371893 /nfs/dbraw/zinc/37/18/93/811371893.db2.gz ANPSSQVMUKYNPG-HOTGVXAUSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC[N@@H+](CC2CCCC2)CC1 ZINC001196831090 811374260 /nfs/dbraw/zinc/37/42/60/811374260.db2.gz ODQAUMTWPKYEQL-HZPDHXFCSA-N 1 1 292.467 3.169 20 30 CGEDMO C#CCC[N@@H+]1CCCN(C(=O)C[C@@H](C)CC(C)(C)C)CC1 ZINC001197263067 811408523 /nfs/dbraw/zinc/40/85/23/811408523.db2.gz VYZVMPNXHUWVQS-MRXNPFEDSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CC1(CC(=O)N2CCC[N@H+](CCC)CC2)CCCCC1 ZINC001197417896 811422881 /nfs/dbraw/zinc/42/28/81/811422881.db2.gz ODEVUBLXHXGQJW-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)CCCCC(C)C)CC1 ZINC001197501139 811426982 /nfs/dbraw/zinc/42/69/82/811426982.db2.gz XYEBGDTYSSYPJM-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)CC(CC)CC)CC1 ZINC001197578364 811429740 /nfs/dbraw/zinc/42/97/40/811429740.db2.gz NSQPSRDITYFPAD-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)[C@](C)(CC)CCC)CC1 ZINC001197578446 811429837 /nfs/dbraw/zinc/42/98/37/811429837.db2.gz PBWUQTMNQQWANB-QGZVFWFLSA-N 1 1 280.456 3.313 20 30 CGEDMO C[C@H]1Cc2n[nH]cc2C[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001197785547 811451876 /nfs/dbraw/zinc/45/18/76/811451876.db2.gz GVENOSIJYNWYOU-ZDUSSCGKSA-N 1 1 299.805 3.109 20 30 CGEDMO C[C@H]1Cc2n[nH]cc2C[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001197785547 811451881 /nfs/dbraw/zinc/45/18/81/811451881.db2.gz GVENOSIJYNWYOU-ZDUSSCGKSA-N 1 1 299.805 3.109 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)C(C)(C)CCCCC)CC1 ZINC001198196424 811483369 /nfs/dbraw/zinc/48/33/69/811483369.db2.gz FYZATNKPEWZLDY-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CNC[C@@H](C)[NH+]1CCCCC1 ZINC001199607994 811581337 /nfs/dbraw/zinc/58/13/37/811581337.db2.gz AGOPIUKKIOYOMO-MRXNPFEDSA-N 1 1 285.435 3.139 20 30 CGEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](CC(C)(C)C)C2 ZINC001201434402 811845350 /nfs/dbraw/zinc/84/53/50/811845350.db2.gz JHCLNAZFUSZASP-NVXWUHKLSA-N 1 1 281.440 3.106 20 30 CGEDMO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](CCC(C)C)C2)C1 ZINC001201613488 811920021 /nfs/dbraw/zinc/92/00/21/811920021.db2.gz KMRURLMMMAIZGK-KRWDZBQOSA-N 1 1 294.439 3.143 20 30 CGEDMO C=CCOCc1ncn2c1C[N@@H+](CCCCCC)CCC2 ZINC001201747133 811957234 /nfs/dbraw/zinc/95/72/34/811957234.db2.gz VFMSUMZRQMAYSR-UHFFFAOYSA-N 1 1 291.439 3.372 20 30 CGEDMO CCCCCCC[N@H+]1CCCC[C@@H]1C(=O)NCCC ZINC001201787914 811964506 /nfs/dbraw/zinc/96/45/06/811964506.db2.gz PSWXPYBYFBTVNX-OAHLLOKOSA-N 1 1 268.445 3.338 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001201797669 811964890 /nfs/dbraw/zinc/96/48/90/811964890.db2.gz BTYOFJHTZWIFLJ-BETUJISGSA-N 1 1 261.356 3.170 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@]2(CCCC(=O)N2)C1 ZINC001201776548 811965084 /nfs/dbraw/zinc/96/50/84/811965084.db2.gz FJLPIBVAWAIMDP-MRXNPFEDSA-N 1 1 266.429 3.092 20 30 CGEDMO CCCCCCCCC[N@H+]1CCC[C@]2(CCNC2=O)C1 ZINC001201840216 811970199 /nfs/dbraw/zinc/97/01/99/811970199.db2.gz WZIIPVWXIGOFJU-KRWDZBQOSA-N 1 1 280.456 3.339 20 30 CGEDMO CCCCCCCCCC[N@H+]1CCn2nncc2C1 ZINC001201875339 811974203 /nfs/dbraw/zinc/97/42/03/811974203.db2.gz VZZIDDBDKCEVRX-UHFFFAOYSA-N 1 1 264.417 3.234 20 30 CGEDMO C#Cc1ccc(C[NH2+]Cc2ccc(F)c(F)c2F)cc1 ZINC001202475307 812103039 /nfs/dbraw/zinc/10/30/39/812103039.db2.gz SSCQFOXXDNJTLN-UHFFFAOYSA-N 1 1 275.273 3.375 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(C)ccc1C ZINC001202774137 812170734 /nfs/dbraw/zinc/17/07/34/812170734.db2.gz HTDGJBZUEQOMJV-HNNXBMFYSA-N 1 1 287.407 3.075 20 30 CGEDMO CCc1[nH]c(CN(CCC#N)Cc2ccccc2)c(C)[nH+]1 ZINC001203231199 812273741 /nfs/dbraw/zinc/27/37/41/812273741.db2.gz BVKMUBQGNLRKGQ-UHFFFAOYSA-N 1 1 282.391 3.196 20 30 CGEDMO CCOc1ccccc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001203543938 812388046 /nfs/dbraw/zinc/38/80/46/812388046.db2.gz KWIKEIAWWKLDON-CQSZACIVSA-N 1 1 258.365 3.211 20 30 CGEDMO CCOc1ccccc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001203543937 812389447 /nfs/dbraw/zinc/38/94/47/812389447.db2.gz KWIKEIAWWKLDON-AWEZNQCLSA-N 1 1 258.365 3.211 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1cccc(OCC)c1O ZINC001203609177 812405788 /nfs/dbraw/zinc/40/57/88/812405788.db2.gz BXIVWYTWXZJZFF-UHFFFAOYSA-N 1 1 276.380 3.307 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1cccc(OCC)c1O ZINC001203609177 812405794 /nfs/dbraw/zinc/40/57/94/812405794.db2.gz BXIVWYTWXZJZFF-UHFFFAOYSA-N 1 1 276.380 3.307 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@@H](C#N)CC2)c(C)c1C ZINC001203724268 812441662 /nfs/dbraw/zinc/44/16/62/812441662.db2.gz DQLLXVNYAORLHD-OAHLLOKOSA-N 1 1 272.392 3.438 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2)CCC1(F)F ZINC001203899977 812487051 /nfs/dbraw/zinc/48/70/51/812487051.db2.gz KUJWCFKOYXYXHX-UHFFFAOYSA-N 1 1 264.319 3.425 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC001204043112 812529639 /nfs/dbraw/zinc/52/96/39/812529639.db2.gz NFXOKXIFUCJJAV-ZDUSSCGKSA-N 1 1 253.349 3.294 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2c(C)[nH]c3ccccc32)C1 ZINC001204296197 812602615 /nfs/dbraw/zinc/60/26/15/812602615.db2.gz WJYAJHSRSAYNQC-AWEZNQCLSA-N 1 1 252.361 3.322 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC[C@@H]2Cc2ccc(OC)cc2)cc1 ZINC001204633319 812696250 /nfs/dbraw/zinc/69/62/50/812696250.db2.gz SOMSHOJLNJTIRD-LJQANCHMSA-N 1 1 291.394 3.494 20 30 CGEDMO COc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2)c(F)c1 ZINC001204922022 812777059 /nfs/dbraw/zinc/77/70/59/812777059.db2.gz FECBSPOHKVKCSI-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)c(F)c1 ZINC001204922022 812777063 /nfs/dbraw/zinc/77/70/63/812777063.db2.gz FECBSPOHKVKCSI-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO C=CC[C@H]([NH2+][C@@H](CC)C[C@H](C)CC)C(=O)OCC ZINC001205659052 813045762 /nfs/dbraw/zinc/04/57/62/813045762.db2.gz ASKYXQRGJPWDAE-RDBSUJKOSA-N 1 1 255.402 3.299 20 30 CGEDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](OCCCCC#N)C2 ZINC001205664127 813046987 /nfs/dbraw/zinc/04/69/87/813046987.db2.gz NZSFICUBZOXNSI-FICVDOATSA-N 1 1 250.386 3.101 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1c(F)cc(C)cc1F)C(C)(C)C ZINC001206076970 813191883 /nfs/dbraw/zinc/19/18/83/813191883.db2.gz HMZRPIKHKQOXOC-CQSZACIVSA-N 1 1 251.320 3.411 20 30 CGEDMO C=C(C)CO[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001206744433 813416671 /nfs/dbraw/zinc/41/66/71/813416671.db2.gz UBLGHXYVLUUMFP-RDJZCZTQSA-N 1 1 259.393 3.490 20 30 CGEDMO C=C(C)CO[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001206743709 813416972 /nfs/dbraw/zinc/41/69/72/813416972.db2.gz NEZQACZASNHCKC-PIIMJCKOSA-N 1 1 271.404 3.490 20 30 CGEDMO C=C(C)CO[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001206744431 813417096 /nfs/dbraw/zinc/41/70/96/813417096.db2.gz UBLGHXYVLUUMFP-NVXWUHKLSA-N 1 1 259.393 3.490 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2CCC2)C1 ZINC001206753120 813421272 /nfs/dbraw/zinc/42/12/72/813421272.db2.gz PKBKFEKMVSUNBE-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C2CC2)C1 ZINC001206766090 813428767 /nfs/dbraw/zinc/42/87/67/813428767.db2.gz IJASDZQDTAXNJJ-HLLBOEOZSA-N 1 1 294.483 3.439 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C=C2CCC2)C1 ZINC001206826101 813446968 /nfs/dbraw/zinc/44/69/68/813446968.db2.gz ZIIQXIQYEHIQBY-NVXWUHKLSA-N 1 1 290.451 3.280 20 30 CGEDMO C/C=C(\C)C(=O)N[C@@H]1C[N@@H+](CCCCCCC)C[C@H]1C ZINC001206864336 813455250 /nfs/dbraw/zinc/45/52/50/813455250.db2.gz IOPXZAXVMOYSOR-KOBNLHKSSA-N 1 1 280.456 3.360 20 30 CGEDMO C/C=C(/C)C(=O)N[C@@H]1C[N@@H+](CCCCCCC)C[C@H]1C ZINC001206864337 813456061 /nfs/dbraw/zinc/45/60/61/813456061.db2.gz IOPXZAXVMOYSOR-UPYRFZFASA-N 1 1 280.456 3.360 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@H+](CCOCc1ccccc1)CC2 ZINC001207228982 813518045 /nfs/dbraw/zinc/51/80/45/813518045.db2.gz ZRGKZBLYBRHLLG-UHFFFAOYSA-N 1 1 292.382 3.133 20 30 CGEDMO C=C(C)C[C@H]([NH2+]C[C@H]1CCCC[C@H]1C)C(=O)OCC ZINC001207333656 813542456 /nfs/dbraw/zinc/54/24/56/813542456.db2.gz HBYVEXBBQCRHRK-KFWWJZLASA-N 1 1 267.413 3.300 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCOC(C)(C)C1 ZINC001207358461 813550524 /nfs/dbraw/zinc/55/05/24/813550524.db2.gz QOFMVRKBUWXLRO-MRXNPFEDSA-N 1 1 272.392 3.195 20 30 CGEDMO COc1cccc(CC[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1 ZINC001207431320 813564317 /nfs/dbraw/zinc/56/43/17/813564317.db2.gz OBRZCNBOVQOPOB-PHZGNYQRSA-N 1 1 270.376 3.004 20 30 CGEDMO COc1ccc(CC[N@H+]2CCc3ccc(C#N)cc3C2)cc1 ZINC001207472476 813571278 /nfs/dbraw/zinc/57/12/78/813571278.db2.gz PPRSINNXYMCVSI-UHFFFAOYSA-N 1 1 292.382 3.168 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](CCCc2ccccc2F)CC1 ZINC001207494694 813575991 /nfs/dbraw/zinc/57/59/91/813575991.db2.gz HOYWRAPWQCDWDI-CQSZACIVSA-N 1 1 260.356 3.384 20 30 CGEDMO C=CCCCCCCCCC[N@@H+]1CC[C@](C)(CO)[C@H](O)C1 ZINC001207899368 813667357 /nfs/dbraw/zinc/66/73/57/813667357.db2.gz XCKYZFRSVLPPLG-QZTJIDSGSA-N 1 1 297.483 3.358 20 30 CGEDMO C=CCCCCCCCCC[N@H+]1CCC(=O)N(C)CC1 ZINC001207898783 813667518 /nfs/dbraw/zinc/66/75/18/813667518.db2.gz FEJOWHOJGFAYMD-UHFFFAOYSA-N 1 1 280.456 3.457 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@H](C)[C@@](C)(O)C2)CC1 ZINC001208171041 813724223 /nfs/dbraw/zinc/72/42/23/813724223.db2.gz OOOQEOSQZRHNJB-OIISXLGYSA-N 1 1 263.425 3.382 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCc3c(cnn3C)C2)CC1 ZINC001208176494 813729577 /nfs/dbraw/zinc/72/95/77/813729577.db2.gz DTTAWBRPWUNJFX-OAHLLOKOSA-N 1 1 271.408 3.081 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1C ZINC001208317935 813753788 /nfs/dbraw/zinc/75/37/88/813753788.db2.gz BZAIFWMDOPGEEX-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1C ZINC001208393597 813759307 /nfs/dbraw/zinc/75/93/07/813759307.db2.gz UBCIPUCASVWCHA-BFYDXBDKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](CCCCCF)C[C@H]1C ZINC001208392671 813759893 /nfs/dbraw/zinc/75/98/93/813759893.db2.gz ASPNFHHBICYMQQ-BZUAXINKSA-N 1 1 298.446 3.165 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)CC)C[C@H]2C)CCC1 ZINC001208517211 813764878 /nfs/dbraw/zinc/76/48/78/813764878.db2.gz CSTCGQHAKXDKET-ARFHVFGLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](CCCCC)C[C@H]2C)CC1 ZINC001208515290 813765147 /nfs/dbraw/zinc/76/51/47/813765147.db2.gz HDDUPNFZGCGSRG-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CC/C=C/CC)C[C@H]1C ZINC001208511841 813765631 /nfs/dbraw/zinc/76/56/31/813765631.db2.gz LTBYOWFAVGWGMI-HFHBSVTDSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCN1C(=O)CCC[C@@]12CCC[N@H+](CCCC(C)C)C2 ZINC001208733763 813823805 /nfs/dbraw/zinc/82/38/05/813823805.db2.gz HCZHNSVIUKOZBZ-SFHVURJKSA-N 1 1 292.467 3.456 20 30 CGEDMO N#Cc1cccc(CCC[N@H+]2CC[C@H](COCC3CC3)C2)c1 ZINC001208850862 813864926 /nfs/dbraw/zinc/86/49/26/813864926.db2.gz LNINKJMLAGSQEF-IBGZPJMESA-N 1 1 298.430 3.239 20 30 CGEDMO N#Cc1cccc(CCC[N@H+]2CC[C@@H](c3cccnc3)C2)c1 ZINC001208853387 813867518 /nfs/dbraw/zinc/86/75/18/813867518.db2.gz KGXWZWMMBWCJED-LJQANCHMSA-N 1 1 291.398 3.375 20 30 CGEDMO CCC[N@H+](CCC#N)CCCc1ccc(C#N)cc1 ZINC001208856142 813869631 /nfs/dbraw/zinc/86/96/31/813869631.db2.gz AZZZUKTZKAPIKO-UHFFFAOYSA-N 1 1 255.365 3.117 20 30 CGEDMO CC(C)[N@@H+](CCCc1ccc(C#N)cc1)C1CCN(C)CC1 ZINC001208864625 813874848 /nfs/dbraw/zinc/87/48/48/813874848.db2.gz XYHMMEQDGXDQMP-UHFFFAOYSA-N 1 1 299.462 3.295 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](CC2CCN(c3ccccc3)CC2)C1 ZINC001208911580 813896280 /nfs/dbraw/zinc/89/62/80/813896280.db2.gz YEEBMRLLWZHHRN-SFHVURJKSA-N 1 1 283.419 3.139 20 30 CGEDMO CCCC[N@@H+](CCC#N)CCc1ccc(C#N)cc1 ZINC001208926096 813901504 /nfs/dbraw/zinc/90/15/04/813901504.db2.gz AOCZQWQICVGPPK-UHFFFAOYSA-N 1 1 255.365 3.117 20 30 CGEDMO N#C[C@H]1CCCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208939163 813903483 /nfs/dbraw/zinc/90/34/83/813903483.db2.gz GYGCFGAJPPUSFI-RTBURBONSA-N 1 1 297.446 3.134 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(CC)CC)C[C@H]1C ZINC001208954683 813909654 /nfs/dbraw/zinc/90/96/54/813909654.db2.gz PCVAAVKCLXIEQI-GDBMZVCRSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CCC)C(C)C)C1 ZINC001209038329 813921194 /nfs/dbraw/zinc/92/11/94/813921194.db2.gz LOHRYWXDLCUFCD-BZUAXINKSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]1CCNC(=O)OC(C)(C)C ZINC001209163122 813954203 /nfs/dbraw/zinc/95/42/03/813954203.db2.gz UVEBTBJIHRUNNP-AWEZNQCLSA-N 1 1 282.428 3.332 20 30 CGEDMO C[N@H+](CCC#N)CC[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001209165027 813955380 /nfs/dbraw/zinc/95/53/80/813955380.db2.gz NEVUEIOZGRWYOO-CQSZACIVSA-N 1 1 295.427 3.012 20 30 CGEDMO C[N@@H+](CCC#N)CC[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001209165027 813955382 /nfs/dbraw/zinc/95/53/82/813955382.db2.gz NEVUEIOZGRWYOO-CQSZACIVSA-N 1 1 295.427 3.012 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@@](O)(C(F)(F)F)[C@H](C)C1 ZINC001209200425 813965519 /nfs/dbraw/zinc/96/55/19/813965519.db2.gz IEMXXJSNMYUYBQ-OLZOCXBDSA-N 1 1 279.346 3.368 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@H]2O[C@H](c3nc(C)no3)CC[C@H]21 ZINC001209202288 813966131 /nfs/dbraw/zinc/96/61/31/813966131.db2.gz ABGJTNMJJUCQEQ-KFWWJZLASA-N 1 1 291.395 3.029 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@]2(CCCCN2C(C)=O)C1 ZINC001209202670 813967018 /nfs/dbraw/zinc/96/70/18/813967018.db2.gz MRERMVHCKZHCHH-QGZVFWFLSA-N 1 1 278.440 3.210 20 30 CGEDMO C#CCCC[N@@H+]1CCSC[C@@H]1c1ccc(OC)cc1 ZINC001209265889 813986904 /nfs/dbraw/zinc/98/69/04/813986904.db2.gz MYMBILDRJJJXIX-MRXNPFEDSA-N 1 1 275.417 3.199 20 30 CGEDMO C#CCCC[N@@H+]1CCSC[C@H]1c1ccc(OC)cc1 ZINC001209265888 813987145 /nfs/dbraw/zinc/98/71/45/813987145.db2.gz MYMBILDRJJJXIX-INIZCTEOSA-N 1 1 275.417 3.199 20 30 CGEDMO C#CCCC[N@H+](C)[C@H]1CN(Cc2ccccc2)CC[C@@H]1C ZINC001209269721 813988956 /nfs/dbraw/zinc/98/89/56/813988956.db2.gz OVQLKMSJFMFYKN-HKUYNNGSSA-N 1 1 284.447 3.242 20 30 CGEDMO C#CCCC[N@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC001209269424 813989038 /nfs/dbraw/zinc/98/90/38/813989038.db2.gz JUWKDWCKEWVLEO-UHFFFAOYSA-N 1 1 267.294 3.477 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001209267588 813989841 /nfs/dbraw/zinc/98/98/41/813989841.db2.gz JSKAPQOWJQSKFG-FQEVSTJZSA-N 1 1 296.458 3.388 20 30 CGEDMO C#CCCC[N@H+]1CCC[C@]2(CCN(Cc3ccccc3)C2)C1 ZINC001209267588 813989845 /nfs/dbraw/zinc/98/98/45/813989845.db2.gz JSKAPQOWJQSKFG-FQEVSTJZSA-N 1 1 296.458 3.388 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@@H](Cc2cccc(OC)c2)C1 ZINC001209268172 813989879 /nfs/dbraw/zinc/98/98/79/813989879.db2.gz WCOJHLZMMBNNNB-KRWDZBQOSA-N 1 1 271.404 3.363 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001209267591 813990312 /nfs/dbraw/zinc/99/03/12/813990312.db2.gz JSKAPQOWJQSKFG-HXUWFJFHSA-N 1 1 296.458 3.388 20 30 CGEDMO C#CCCC[N@H+]1CCC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC001209267591 813990316 /nfs/dbraw/zinc/99/03/16/813990316.db2.gz JSKAPQOWJQSKFG-HXUWFJFHSA-N 1 1 296.458 3.388 20 30 CGEDMO C[C@@H]1C[C@@H](C[N@H+]2CCc3ccc(C#N)cc3C2)C[C@H](C)O1 ZINC001209385638 814008829 /nfs/dbraw/zinc/00/88/29/814008829.db2.gz YALVBYNZCSICEP-MIFYACCESA-N 1 1 284.403 3.120 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](C[C@H]1C[C@H]1C)[C@@H]2CC ZINC001209411110 814018060 /nfs/dbraw/zinc/01/80/60/814018060.db2.gz BDPYUNSKAWLKKR-KONPQCLYSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCCCCC[N@H+]1CCC2SC(=O)C=C2C1 ZINC001209422436 814024166 /nfs/dbraw/zinc/02/41/66/814024166.db2.gz AUHZJRJLSCKMKZ-ZDUSSCGKSA-N 1 1 251.395 3.007 20 30 CGEDMO C=CCCCCC[N@H+]1CCCN(Cc2ccncc2)CC1 ZINC001209423180 814026159 /nfs/dbraw/zinc/02/61/59/814026159.db2.gz IEIZIEARHAOYMF-UHFFFAOYSA-N 1 1 287.451 3.336 20 30 CGEDMO C=CCCCCCC[N@@H+]1CCC[C@@H](C(=O)OC)C1 ZINC001209431577 814031677 /nfs/dbraw/zinc/03/16/77/814031677.db2.gz QDYGGUXODPPJIN-CQSZACIVSA-N 1 1 253.386 3.008 20 30 CGEDMO C=CCCCCCC[N@@H+]1CCC[C@H]1C(=O)OCC ZINC001209436030 814037590 /nfs/dbraw/zinc/03/75/90/814037590.db2.gz MTWNMLKGTLTMKH-AWEZNQCLSA-N 1 1 253.386 3.150 20 30 CGEDMO C=CCCCCCC[N@H+]1CC[C@H](Oc2cnccn2)C1 ZINC001209438450 814038064 /nfs/dbraw/zinc/03/80/64/814038064.db2.gz LLCYBQGYQXQSDM-HNNXBMFYSA-N 1 1 275.396 3.066 20 30 CGEDMO C=CCCCCCCC[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC001209438462 814038961 /nfs/dbraw/zinc/03/89/61/814038961.db2.gz LRVGUPDBKXKALB-CVEARBPZSA-N 1 1 251.414 3.481 20 30 CGEDMO C=CCCCCCCC[N@H+]1C[C@H]2[C@H](C(=O)OCC)[C@H]2C1 ZINC001209442579 814042816 /nfs/dbraw/zinc/04/28/16/814042816.db2.gz VMPFVANAXIMJQT-ZSHCYNCHSA-N 1 1 279.424 3.254 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1C[C@@H]2COC[C@]2(COC)C1 ZINC001209443770 814042880 /nfs/dbraw/zinc/04/28/80/814042880.db2.gz GBXOLLNQYMILFE-QZTJIDSGSA-N 1 1 295.467 3.498 20 30 CGEDMO C=CCCCCCCCC[N@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC001209446240 814045816 /nfs/dbraw/zinc/04/58/16/814045816.db2.gz UDWKRRFJILODQB-ZSHCYNCHSA-N 1 1 279.424 3.254 20 30 CGEDMO Cc1cccc2c(C[N@H+]3CC[C@H]4SC(=O)C=C4C3)c[nH]c21 ZINC001209481814 814053447 /nfs/dbraw/zinc/05/34/47/814053447.db2.gz BVMUNYMEDQIJMP-OAHLLOKOSA-N 1 1 298.411 3.250 20 30 CGEDMO Cc1cccc2c(C[N@@H+]3CCC4SC(=O)C=C4C3)c[nH]c21 ZINC001209481814 814053453 /nfs/dbraw/zinc/05/34/53/814053453.db2.gz BVMUNYMEDQIJMP-OAHLLOKOSA-N 1 1 298.411 3.250 20 30 CGEDMO Cc1cccc2c(C[N@H+]3CCC4SC(=O)C=C4C3)c[nH]c21 ZINC001209481814 814053460 /nfs/dbraw/zinc/05/34/60/814053460.db2.gz BVMUNYMEDQIJMP-OAHLLOKOSA-N 1 1 298.411 3.250 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)CC(C)C)C1 ZINC001209799398 814146759 /nfs/dbraw/zinc/14/67/59/814146759.db2.gz IKOWVJKLUXNMKG-BZUAXINKSA-N 1 1 280.456 3.071 20 30 CGEDMO C[C@@H]1CC(=O)C=C(c2ccc(C[NH+](C)C)c(F)c2)C1 ZINC001242743614 823119687 /nfs/dbraw/zinc/11/96/87/823119687.db2.gz WWMTTYKSAUPNDL-NSHDSACASA-N 1 1 261.340 3.270 20 30 CGEDMO Cc1[nH+]c2ccc(F)cn2c1NC1=CC(=O)C[C@H](C)C1 ZINC001210772193 814618509 /nfs/dbraw/zinc/61/85/09/814618509.db2.gz ZWWHUGQMLKCASN-SECBINFHSA-N 1 1 273.311 3.077 20 30 CGEDMO Cc1cc[nH+]c(C)c1Nc1cc(C#N)cc([N+](=O)[O-])c1 ZINC001211327242 814879241 /nfs/dbraw/zinc/87/92/41/814879241.db2.gz OVLVSXIFYUWBGK-UHFFFAOYSA-N 1 1 268.276 3.222 20 30 CGEDMO CCc1cc(Nc2cc(OC)cc[nH+]2)ccc1C#N ZINC001216315865 815777692 /nfs/dbraw/zinc/77/76/92/815777692.db2.gz RHPHVEATRYODJW-UHFFFAOYSA-N 1 1 253.305 3.268 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)/C=C\C(C)(C)C)[C@@H]2C1 ZINC001221454879 816313934 /nfs/dbraw/zinc/31/39/34/816313934.db2.gz MBTQWBQAPAXERF-PDTSHOSPSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC/C=C/CC)C[C@H]21 ZINC001221731843 816323181 /nfs/dbraw/zinc/32/31/81/816323181.db2.gz SRFPDWKDHCGRRQ-XLBHYRNJSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C3(CC)CCC3)[C@@H]2C1 ZINC001221745542 816325445 /nfs/dbraw/zinc/32/54/45/816325445.db2.gz AKKVTTXYKLCCEC-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](CCCCC)C[C@H]21 ZINC001221760674 816326220 /nfs/dbraw/zinc/32/62/20/816326220.db2.gz MOSCZTZMANEPFJ-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)CC(=C)C)[C@@H]2C1 ZINC001221760944 816326863 /nfs/dbraw/zinc/32/68/63/816326863.db2.gz VFNUQQATIFEJCQ-BRWVUGGUSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[N@H+](CCCCC)C[C@H]21 ZINC001221762346 816327091 /nfs/dbraw/zinc/32/70/91/816327091.db2.gz YZAYVJBXQXBAAZ-GVDBMIGSSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C3(CC)CC3)[C@@H]2C1 ZINC001221793490 816327981 /nfs/dbraw/zinc/32/79/81/816327981.db2.gz DPPCUYNZYXRPPS-BZUAXINKSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCCCC(=O)N1C[C@H]2CC[N@H+](CCCCC)C[C@H]21 ZINC001221782482 816328023 /nfs/dbraw/zinc/32/80/23/816328023.db2.gz CZNIZEBPNIHSTR-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)C(C)(C)C)[C@@H]2C1 ZINC001221978899 816339265 /nfs/dbraw/zinc/33/92/65/816339265.db2.gz IPCLIFPFQBPNBA-BZUAXINKSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC1(C(=O)N2C[C@H]3CC[N@H+](CC)C[C@H]32)CCCCC1 ZINC001222040120 816340726 /nfs/dbraw/zinc/34/07/26/816340726.db2.gz LDCIVHUTSKCDKS-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCCCCCCCC[N@H+]1CC[C@@H]2NCCO[C@H]2C1 ZINC001222696822 816502779 /nfs/dbraw/zinc/50/27/79/816502779.db2.gz LHIRFTZKEZFUSZ-ROUUACIJSA-N 1 1 294.483 3.356 20 30 CGEDMO C=CCCCCCCCCCN1CC[C@@H]2[NH2+]CCO[C@H]2C1 ZINC001222696822 816502783 /nfs/dbraw/zinc/50/27/83/816502783.db2.gz LHIRFTZKEZFUSZ-ROUUACIJSA-N 1 1 294.483 3.356 20 30 CGEDMO C[N@H+]1CCC[C@H](OCc2ccc(C(C)(C)C#N)cc2)CC1 ZINC001223156423 816578833 /nfs/dbraw/zinc/57/88/33/816578833.db2.gz CIGQRMMGTOCAMK-KRWDZBQOSA-N 1 1 286.419 3.489 20 30 CGEDMO C=C[C@@H](O[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC001223310835 816601786 /nfs/dbraw/zinc/60/17/86/816601786.db2.gz QYIMYGCHEVJYIB-HUUCEWRRSA-N 1 1 254.333 3.142 20 30 CGEDMO C=CCCCCOC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001224336082 816780613 /nfs/dbraw/zinc/78/06/13/816780613.db2.gz ZSTDRLDYCQCTIA-GOSISDBHSA-N 1 1 289.419 3.260 20 30 CGEDMO C=CCCCCOC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001224336082 816780618 /nfs/dbraw/zinc/78/06/18/816780618.db2.gz ZSTDRLDYCQCTIA-GOSISDBHSA-N 1 1 289.419 3.260 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)C2(CCC)CC2)CC1 ZINC001224446248 816804577 /nfs/dbraw/zinc/80/45/77/816804577.db2.gz WTERNFPXBCCFMX-UHFFFAOYSA-N 1 1 298.858 3.147 20 30 CGEDMO CCCCCCC[C@H](CC)OCC[NH+]1CCN(C)CC1 ZINC001224549068 816826685 /nfs/dbraw/zinc/82/66/85/816826685.db2.gz IOGFAIUBGRYISC-KRWDZBQOSA-N 1 1 284.488 3.390 20 30 CGEDMO CCCCCCC[C@H](C)OCCC[NH+]1CCOCC1 ZINC001224870931 816899688 /nfs/dbraw/zinc/89/96/88/816899688.db2.gz XPVZEWIZORYUPE-INIZCTEOSA-N 1 1 271.445 3.474 20 30 CGEDMO N#CC1(CO[C@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC001224948064 816915702 /nfs/dbraw/zinc/91/57/02/816915702.db2.gz MCFBQKOFMUPKFW-HNNXBMFYSA-N 1 1 290.794 3.235 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)C[C@@H](C)CCC)CC1 ZINC001226493523 817375668 /nfs/dbraw/zinc/37/56/68/817375668.db2.gz FDWBJCJPVZZXJV-LBPRGKRZSA-N 1 1 286.847 3.146 20 30 CGEDMO CC[C@@H](C)c1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)cc1 ZINC001227328010 817625586 /nfs/dbraw/zinc/62/55/86/817625586.db2.gz HFAZTUNNYQZVEQ-OEAKXUMTSA-N 1 1 287.403 3.191 20 30 CGEDMO CC[C@@H](C)c1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)cc1 ZINC001227328010 817625593 /nfs/dbraw/zinc/62/55/93/817625593.db2.gz HFAZTUNNYQZVEQ-OEAKXUMTSA-N 1 1 287.403 3.191 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H](Oc2cccc(Cl)c2C#N)C1 ZINC001227788112 817720180 /nfs/dbraw/zinc/72/01/80/817720180.db2.gz VJZVPZPDSLYXNE-LBPRGKRZSA-N 1 1 278.783 3.463 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](Oc2cccc(Cl)c2C#N)C1 ZINC001227789116 817721208 /nfs/dbraw/zinc/72/12/08/817721208.db2.gz KGZWUZIZMKAUCR-LLVKDONJSA-N 1 1 264.756 3.073 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)c1ccc(C)s1 ZINC001231301436 818072850 /nfs/dbraw/zinc/07/28/50/818072850.db2.gz VEVJFUIAIQKDKP-CYBMUJFWSA-N 1 1 294.464 3.463 20 30 CGEDMO C=C(C)C(=O)Nc1ccc(O[C@H]2CCC[N@H+](CC)C2)cc1 ZINC001231319041 818075393 /nfs/dbraw/zinc/07/53/93/818075393.db2.gz ZXCDMCLFEVJJTM-INIZCTEOSA-N 1 1 288.391 3.064 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)c1ccccc1 ZINC001231351773 818083995 /nfs/dbraw/zinc/08/39/95/818083995.db2.gz IURPHGSJAIHFJC-HNNXBMFYSA-N 1 1 274.408 3.093 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1c(F)ccc(F)c1OC ZINC001231414270 818093330 /nfs/dbraw/zinc/09/33/30/818093330.db2.gz MQRWGYSRNVHJGK-UHFFFAOYSA-N 1 1 255.308 3.371 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1c(F)ccc(F)c1OC ZINC001231414270 818093332 /nfs/dbraw/zinc/09/33/32/818093332.db2.gz MQRWGYSRNVHJGK-UHFFFAOYSA-N 1 1 255.308 3.371 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)c1 ZINC001231622071 818138798 /nfs/dbraw/zinc/13/87/98/818138798.db2.gz PNQULAMJLUBEBU-HIFRSBDPSA-N 1 1 279.330 3.338 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)c1 ZINC001231657802 818149809 /nfs/dbraw/zinc/14/98/09/818149809.db2.gz MWZIQZHDXVKNCS-ZIAGYGMSSA-N 1 1 285.284 3.248 20 30 CGEDMO C#Cc1cccc(C[N@H+](C)Cc2ccc(OC)cc2)c1 ZINC001231658469 818150185 /nfs/dbraw/zinc/15/01/85/818150185.db2.gz XHVFWHNRIQAHCA-UHFFFAOYSA-N 1 1 265.356 3.309 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2C[C@H]3CCC[C@@]3(COCC)C2)c1 ZINC001231655781 818150998 /nfs/dbraw/zinc/15/09/98/818150998.db2.gz UEFBSAXVPPYRCV-MOPGFXCFSA-N 1 1 283.415 3.307 20 30 CGEDMO C#Cc1cccc(C[N@@H+](C)Cc2ccccc2F)c1 ZINC001231659492 818152482 /nfs/dbraw/zinc/15/24/82/818152482.db2.gz NMFAGNNWFWHHQG-UHFFFAOYSA-N 1 1 253.320 3.439 20 30 CGEDMO C#Cc1cccc(C[N@H+](C)Cc2ccccc2F)c1 ZINC001231659492 818152486 /nfs/dbraw/zinc/15/24/86/818152486.db2.gz NMFAGNNWFWHHQG-UHFFFAOYSA-N 1 1 253.320 3.439 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)nc2C)C1 ZINC001231797773 818178888 /nfs/dbraw/zinc/17/88/88/818178888.db2.gz FZINIRQROMXOPO-INIZCTEOSA-N 1 1 291.398 3.297 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1cc(Cl)c(C)cc1O ZINC001231870439 818194688 /nfs/dbraw/zinc/19/46/88/818194688.db2.gz AWFQZVMSVXEEPP-UHFFFAOYSA-N 1 1 266.772 3.480 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1cc(Cl)c(C)cc1O ZINC001231870439 818194691 /nfs/dbraw/zinc/19/46/91/818194691.db2.gz AWFQZVMSVXEEPP-UHFFFAOYSA-N 1 1 266.772 3.480 20 30 CGEDMO Cc1cc(C[N@H+](CCC#N)C2CCCC2)cc(C)n1 ZINC001232000276 818229020 /nfs/dbraw/zinc/22/90/20/818229020.db2.gz HZKLYWQNALONHX-UHFFFAOYSA-N 1 1 257.381 3.357 20 30 CGEDMO Cc1cc(C[N@@H+](CCC#N)C2CCCC2)cc(C)n1 ZINC001232000276 818229026 /nfs/dbraw/zinc/22/90/26/818229026.db2.gz HZKLYWQNALONHX-UHFFFAOYSA-N 1 1 257.381 3.357 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1cc(Cl)c(OC)cc1O ZINC001232263953 818298117 /nfs/dbraw/zinc/29/81/17/818298117.db2.gz CHZVNQNLFFEBKT-UHFFFAOYSA-N 1 1 282.771 3.180 20 30 CGEDMO CCOc1ccc(OC)cc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001232384791 818331497 /nfs/dbraw/zinc/33/14/97/818331497.db2.gz WCUJWNRIUONNIZ-AWEZNQCLSA-N 1 1 288.391 3.220 20 30 CGEDMO N#Cc1ccnc(C[N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c1 ZINC001232480370 818364968 /nfs/dbraw/zinc/36/49/68/818364968.db2.gz UFPQBASFMRRIQB-GASCZTMLSA-N 1 1 275.355 3.040 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)Cc1cc(F)ccn1 ZINC001232494848 818370496 /nfs/dbraw/zinc/37/04/96/818370496.db2.gz GQDRTETVOMVRGZ-UHFFFAOYSA-N 1 1 256.324 3.409 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cc(F)ccn1 ZINC001232494848 818370503 /nfs/dbraw/zinc/37/05/03/818370503.db2.gz GQDRTETVOMVRGZ-UHFFFAOYSA-N 1 1 256.324 3.409 20 30 CGEDMO C#CC[N@@H+](Cc1cc(F)ccn1)[C@@H]1CCc2ccccc21 ZINC001232496022 818371013 /nfs/dbraw/zinc/37/10/13/818371013.db2.gz LXLNWHUEUNRPSA-GOSISDBHSA-N 1 1 280.346 3.343 20 30 CGEDMO C#CC[N@H+](Cc1cc(F)ccn1)[C@@H]1CCc2ccccc21 ZINC001232496022 818371019 /nfs/dbraw/zinc/37/10/19/818371019.db2.gz LXLNWHUEUNRPSA-GOSISDBHSA-N 1 1 280.346 3.343 20 30 CGEDMO C=CC[NH+](CC=C)Cc1ccc(Br)c(C)n1 ZINC001232665642 818413592 /nfs/dbraw/zinc/41/35/92/818413592.db2.gz NXOHPAYPZOEJSX-UHFFFAOYSA-N 1 1 281.197 3.327 20 30 CGEDMO COc1ccc([C@H](C)[N@@H+](C)Cc2cc(C#N)ccc2[O-])cc1 ZINC001232678758 818417371 /nfs/dbraw/zinc/41/73/71/818417371.db2.gz OVWIDCGVZWIDNQ-ZDUSSCGKSA-N 1 1 296.370 3.465 20 30 CGEDMO C=CC[NH+]1CCN(Cc2cc3ccc(Cl)cc3[nH]2)CC1 ZINC001232730219 818426169 /nfs/dbraw/zinc/42/61/69/818426169.db2.gz RCKPLVFOGFVASG-UHFFFAOYSA-N 1 1 289.810 3.125 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)n1)C1CCCCC1 ZINC001232926779 818475125 /nfs/dbraw/zinc/47/51/25/818475125.db2.gz BJFOYMZHFABACE-UHFFFAOYSA-N 1 1 255.365 3.274 20 30 CGEDMO Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c(C#N)c1 ZINC001232963560 818483829 /nfs/dbraw/zinc/48/38/29/818483829.db2.gz JLELXHZKLQXQCG-GASCZTMLSA-N 1 1 276.330 3.344 20 30 CGEDMO Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c(C#N)c1 ZINC001232963560 818483834 /nfs/dbraw/zinc/48/38/34/818483834.db2.gz JLELXHZKLQXQCG-GASCZTMLSA-N 1 1 276.330 3.344 20 30 CGEDMO N#Cc1cc[nH]c1C[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC001233047824 818510399 /nfs/dbraw/zinc/51/03/99/818510399.db2.gz MSCJBPJJMGIWHK-HNNXBMFYSA-N 1 1 257.381 3.289 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC(=O)[C@H]2CCCC[C@@H]21 ZINC001233080061 818519809 /nfs/dbraw/zinc/51/98/09/818519809.db2.gz CGWOEZXIHVFEED-IRXDYDNUSA-N 1 1 282.387 3.200 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC(=O)[C@H]2CCCC[C@@H]21 ZINC001233080061 818519815 /nfs/dbraw/zinc/51/98/15/818519815.db2.gz CGWOEZXIHVFEED-IRXDYDNUSA-N 1 1 282.387 3.200 20 30 CGEDMO CCCC1CC[NH+](Cc2ccc(C#N)cc2O)CC1 ZINC001233385534 818606540 /nfs/dbraw/zinc/60/65/40/818606540.db2.gz LMZPEGHZZITKGW-UHFFFAOYSA-N 1 1 258.365 3.276 20 30 CGEDMO CCC[N@@H+](CCc1ccccn1)Cc1ccc(C#N)cc1[O-] ZINC001233386930 818606927 /nfs/dbraw/zinc/60/69/27/818606927.db2.gz NXEQECJLBJLDSQ-UHFFFAOYSA-N 1 1 295.386 3.114 20 30 CGEDMO CCC[N@H+](CCc1ccccn1)Cc1ccc(C#N)cc1O ZINC001233386930 818606931 /nfs/dbraw/zinc/60/69/31/818606931.db2.gz NXEQECJLBJLDSQ-UHFFFAOYSA-N 1 1 295.386 3.114 20 30 CGEDMO CCC[N@@H+](CCc1ccccn1)Cc1ccc(C#N)cc1O ZINC001233386930 818606935 /nfs/dbraw/zinc/60/69/35/818606935.db2.gz NXEQECJLBJLDSQ-UHFFFAOYSA-N 1 1 295.386 3.114 20 30 CGEDMO C=CCCC[N@@H+](C)CCCNC(=O)c1cccc(C)c1 ZINC001233535859 818634953 /nfs/dbraw/zinc/63/49/53/818634953.db2.gz XLVBIICZKNVUCD-UHFFFAOYSA-N 1 1 274.408 3.013 20 30 CGEDMO CC[N@H+]1CCC[C@@H](Oc2cc(C#N)cc(C(F)(F)F)c2)C1 ZINC001233656601 818670967 /nfs/dbraw/zinc/67/09/67/818670967.db2.gz CWRVFETWBIEGGZ-CYBMUJFWSA-N 1 1 298.308 3.440 20 30 CGEDMO CCCCCCC[N@@H+](C)CCCNC(=O)c1ccc[nH]1 ZINC001233887414 818724737 /nfs/dbraw/zinc/72/47/37/818724737.db2.gz ANHFYUOQQSJFHV-UHFFFAOYSA-N 1 1 279.428 3.037 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)CCCC ZINC001234038383 818763535 /nfs/dbraw/zinc/76/35/35/818763535.db2.gz AVMNQQWWNQKZOV-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCCCC[N@H+](C)CCCNC(=O)[C@H](C)CC ZINC001234126260 818786217 /nfs/dbraw/zinc/78/62/17/818786217.db2.gz JPIQCYFGHJTZNJ-OAHLLOKOSA-N 1 1 268.445 3.217 20 30 CGEDMO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)CCCC[C@H](C)CC ZINC001234547528 818881511 /nfs/dbraw/zinc/88/15/11/818881511.db2.gz UACBDSJHKLFROZ-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCC[C@H](C)CC ZINC001234547528 818881514 /nfs/dbraw/zinc/88/15/14/818881514.db2.gz UACBDSJHKLFROZ-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(N2CCOCC2)c1)C(C)(C)C ZINC001235084817 818997650 /nfs/dbraw/zinc/99/76/50/818997650.db2.gz DNKYTEVILUYDMV-UHFFFAOYSA-N 1 1 288.435 3.310 20 30 CGEDMO C=CCCC(=O)NCCC[N@H+](C)Cc1ccccc1Cl ZINC001235436050 819100257 /nfs/dbraw/zinc/10/02/57/819100257.db2.gz DNNADWLJOVRFNH-UHFFFAOYSA-N 1 1 294.826 3.244 20 30 CGEDMO COc1cc(C[N@@H+]2CCC[C@@H](C#N)CC2)cc(F)c1F ZINC001235443915 819101317 /nfs/dbraw/zinc/10/13/17/819101317.db2.gz ALBBLMGXABGZPP-LLVKDONJSA-N 1 1 280.318 3.099 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@@H](C#N)CC2)cc(F)c1F ZINC001235443915 819101319 /nfs/dbraw/zinc/10/13/19/819101319.db2.gz ALBBLMGXABGZPP-LLVKDONJSA-N 1 1 280.318 3.099 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2c[nH]c3cnc(Cl)cc23)CC1 ZINC001235520581 819114584 /nfs/dbraw/zinc/11/45/84/819114584.db2.gz MLMZBYJBDVPGID-NSHDSACASA-N 1 1 288.782 3.342 20 30 CGEDMO COc1ccc2c(c1)C[N@@H+](Cc1ccccc1CC#N)C2 ZINC001235522392 819114703 /nfs/dbraw/zinc/11/47/03/819114703.db2.gz FPKBQYWMSLXHKP-UHFFFAOYSA-N 1 1 278.355 3.277 20 30 CGEDMO COc1ccc2c(c1)C[N@H+](Cc1ccccc1CC#N)C2 ZINC001235522392 819114705 /nfs/dbraw/zinc/11/47/05/819114705.db2.gz FPKBQYWMSLXHKP-UHFFFAOYSA-N 1 1 278.355 3.277 20 30 CGEDMO N#CCc1ccccc1C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC001235522584 819115052 /nfs/dbraw/zinc/11/50/52/819115052.db2.gz HMMZYLZJKMHMKV-KRWDZBQOSA-N 1 1 277.371 3.137 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)CCCNC(=O)C[C@@H](C)C(C)C ZINC001235543700 819120453 /nfs/dbraw/zinc/12/04/53/819120453.db2.gz DCNCLOFJJUCCOK-HZPDHXFCSA-N 1 1 282.472 3.461 20 30 CGEDMO N#Cc1cc(F)c(C[N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c(F)c1 ZINC001235655405 819130543 /nfs/dbraw/zinc/13/05/43/819130543.db2.gz XRCPMJWXQJZAOB-PWSUYJOCSA-N 1 1 298.283 3.314 20 30 CGEDMO N#Cc1cc(F)c(C[N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c(F)c1 ZINC001235655405 819130548 /nfs/dbraw/zinc/13/05/48/819130548.db2.gz XRCPMJWXQJZAOB-PWSUYJOCSA-N 1 1 298.283 3.314 20 30 CGEDMO COc1cc(C)c(C[N@@H+](CCC#N)C2CCCC2)c(O)c1 ZINC001236813427 819604027 /nfs/dbraw/zinc/60/40/27/819604027.db2.gz KLEJCSDCQLFGCV-UHFFFAOYSA-N 1 1 288.391 3.368 20 30 CGEDMO C=CCCCCCCC[N@H+]1CCN[C@@H](C(F)(F)F)C1 ZINC001236979300 819639674 /nfs/dbraw/zinc/63/96/74/819639674.db2.gz DCPXBTDMODUNRH-CYBMUJFWSA-N 1 1 278.362 3.349 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237127400 819674142 /nfs/dbraw/zinc/67/41/42/819674142.db2.gz ZKNKNOBWEFHSFF-SNVBAGLBSA-N 1 1 267.731 3.030 20 30 CGEDMO CCC[N@@H+](Cc1cn2cc(C#N)ccc2n1)[C@H](C)CC ZINC001237604983 819786056 /nfs/dbraw/zinc/78/60/56/819786056.db2.gz UGPMHGHHHGHXNS-CYBMUJFWSA-N 1 1 270.380 3.216 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237798755 819846248 /nfs/dbraw/zinc/84/62/48/819846248.db2.gz MWEMHRJRCISIAQ-JTQLQIEISA-N 1 1 282.746 3.310 20 30 CGEDMO N#CC[C@@H]1CCCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237798755 819846256 /nfs/dbraw/zinc/84/62/56/819846256.db2.gz MWEMHRJRCISIAQ-JTQLQIEISA-N 1 1 282.746 3.310 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CCC[C@@]1(C)O ZINC001238081913 819927150 /nfs/dbraw/zinc/92/71/50/819927150.db2.gz COJJMPSNDFXMTD-BLLLJJGKSA-N 1 1 292.810 3.195 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(Cl)c(C#N)c2)[C@](C)(CO)C1 ZINC001238188598 819950991 /nfs/dbraw/zinc/95/09/91/819950991.db2.gz GDPJUKWOMVOCRK-INIZCTEOSA-N 1 1 292.810 3.195 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(Cl)c(C#N)c2)[C@@](C)(CO)C1 ZINC001238188600 819951223 /nfs/dbraw/zinc/95/12/23/819951223.db2.gz GDPJUKWOMVOCRK-MRXNPFEDSA-N 1 1 292.810 3.195 20 30 CGEDMO C#CC[N@@H+](C)Cc1cccc(F)c1OCc1ccccc1 ZINC001238335968 819978228 /nfs/dbraw/zinc/97/82/28/819978228.db2.gz BEWLMFLGQRTEIT-UHFFFAOYSA-N 1 1 283.346 3.470 20 30 CGEDMO C#CC[N@H+](C)Cc1cccc(F)c1OCc1ccccc1 ZINC001238335968 819978231 /nfs/dbraw/zinc/97/82/31/819978231.db2.gz BEWLMFLGQRTEIT-UHFFFAOYSA-N 1 1 283.346 3.470 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2OCC)C1 ZINC001238659168 820071478 /nfs/dbraw/zinc/07/14/78/820071478.db2.gz CXHRKWVQYMSRRY-GFCCVEGCSA-N 1 1 279.330 3.209 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2OCC)C1 ZINC001238659168 820071487 /nfs/dbraw/zinc/07/14/87/820071487.db2.gz CXHRKWVQYMSRRY-GFCCVEGCSA-N 1 1 279.330 3.209 20 30 CGEDMO CSc1ncc(C)cc1C[NH+]1CCC(C)(C#N)CC1 ZINC001238718410 820100836 /nfs/dbraw/zinc/10/08/36/820100836.db2.gz NRRKMODKGPYIFT-UHFFFAOYSA-N 1 1 275.421 3.238 20 30 CGEDMO CCc1cc(C[N@H+]2CCC[C@](C)(O)[C@H](C)C2)ccc1C#N ZINC001238765622 820111364 /nfs/dbraw/zinc/11/13/64/820111364.db2.gz GLOMUJFCHUTBMC-KDOFPFPSSA-N 1 1 286.419 3.104 20 30 CGEDMO Cc1cc(N)[nH+]cc1-c1ccc2cc(C#N)cnc2c1 ZINC001242095269 822348661 /nfs/dbraw/zinc/34/86/61/822348661.db2.gz FBRQPVYDWKQLTE-UHFFFAOYSA-N 1 1 260.300 3.059 20 30 CGEDMO C[N@H+]1CCc2ccc(C3=CC(=O)CC(C)(C)C3)cc2C1 ZINC001242318053 822950518 /nfs/dbraw/zinc/95/05/18/822950518.db2.gz NCXUXCPGAPMZFI-UHFFFAOYSA-N 1 1 269.388 3.447 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)CCC)C(C)(C)C1 ZINC001330184173 935274490 /nfs/dbraw/zinc/27/44/90/935274490.db2.gz LKOWJSAUJCCLLU-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CC[NH2+]CC(=O)Nc1ccc(S[C@H](C)CC)cc1C ZINC001340014226 936395256 /nfs/dbraw/zinc/39/52/56/936395256.db2.gz PCHSGCWKVMWNKA-CYBMUJFWSA-N 1 1 290.432 3.047 20 30 CGEDMO C=C(C)CC[C@@H](C)OC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001343836443 936514946 /nfs/dbraw/zinc/51/49/46/936514946.db2.gz HWHWUQRMQSZTFS-CYBMUJFWSA-N 1 1 285.347 3.169 20 30 CGEDMO C=CCCCCOC(=O)c1cnn(-c2cc[nH+]cc2)c1C ZINC001344536105 936537626 /nfs/dbraw/zinc/53/76/26/936537626.db2.gz VGLDZGNTCYDXSW-UHFFFAOYSA-N 1 1 285.347 3.089 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)[C@@H](C)C1CCCC1 ZINC001479857991 936826869 /nfs/dbraw/zinc/82/68/69/936826869.db2.gz OGMGVVCRUVBNLC-HNNXBMFYSA-N 1 1 280.456 3.217 20 30 CGEDMO C#CCOCC[N@H+]1C[C@H]2CCCC[C@]21c1ccccc1 ZINC001350364549 936989584 /nfs/dbraw/zinc/98/95/84/936989584.db2.gz MTSBESDCNLIJAC-MSOLQXFVSA-N 1 1 269.388 3.038 20 30 CGEDMO CC(C)[C@@H]([NH2+]CC1CCC(C#N)CC1)C(=O)OC(C)(C)C ZINC001351183422 937010456 /nfs/dbraw/zinc/01/04/56/937010456.db2.gz HCTMIDJYHKWCAV-YMAMQOFZSA-N 1 1 294.439 3.272 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@H](C)[NH2+]C/C(Cl)=C/Cl ZINC001480516671 937068503 /nfs/dbraw/zinc/06/85/03/937068503.db2.gz WJOITRSBUTZWRT-OYUORYAFSA-N 1 1 293.238 3.002 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)[C@H](F)c1ccccc1 ZINC001480916860 926786306 /nfs/dbraw/zinc/78/63/06/926786306.db2.gz AXTJTWOUNAAGPZ-GOEBONIOSA-N 1 1 292.398 3.100 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)c1sccc1C ZINC001480959239 926844169 /nfs/dbraw/zinc/84/41/69/926844169.db2.gz LNYZJMBROLGMRJ-UHFFFAOYSA-N 1 1 280.437 3.074 20 30 CGEDMO C=CCCC(=O)NCC[N@H+](CC)[C@@H](C)c1ccccc1F ZINC001480964144 926848905 /nfs/dbraw/zinc/84/89/05/926848905.db2.gz LJCOURIGFXYDGJ-AWEZNQCLSA-N 1 1 292.398 3.291 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)c1cc(F)ccc1CC ZINC001480986173 926851408 /nfs/dbraw/zinc/85/14/08/926851408.db2.gz OWUXPRPNYJDYHQ-UHFFFAOYSA-N 1 1 292.398 3.016 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@H](CNC(=O)C=C2CCC2)C1 ZINC001481086883 926882059 /nfs/dbraw/zinc/88/20/59/926882059.db2.gz RGOSXXCMLCRRCO-KRWDZBQOSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)C(CC)CC)C1 ZINC001481099993 926885235 /nfs/dbraw/zinc/88/52/35/926885235.db2.gz WHKZKUXJZFFWRL-GJZGRUSLSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001481109917 926888574 /nfs/dbraw/zinc/88/85/74/926888574.db2.gz WEWMGSIWLWEQNL-CRAIPNDOSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)CC[N@@H+](CCC)CCNC(=O)[C@H]1CC=CCC1 ZINC001481130406 926893390 /nfs/dbraw/zinc/89/33/90/926893390.db2.gz OTLGAKLNMZJIPN-INIZCTEOSA-N 1 1 278.440 3.137 20 30 CGEDMO C#CC[N@H+](CCCNC(=O)[C@@H]1CCC[C@H]1CCC)C(C)C ZINC001481350869 926964621 /nfs/dbraw/zinc/96/46/21/926964621.db2.gz TYBWJFGSNFBECY-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCC[C@@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC001481446542 926986087 /nfs/dbraw/zinc/98/60/87/926986087.db2.gz IBXQIWIFBBTXOD-FPTQRPOBSA-N 1 1 298.858 3.169 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@@H]2C=CCCC2)C1 ZINC001481489246 927001718 /nfs/dbraw/zinc/00/17/18/927001718.db2.gz NONKENAIHKSSMS-SJORKVTESA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@]2(C)C=CCC2)C1 ZINC001481493944 927003759 /nfs/dbraw/zinc/00/37/59/927003759.db2.gz KEGRLHUEBDSUSO-WMZOPIPTSA-N 1 1 290.451 3.089 20 30 CGEDMO CC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@](C)(CC)CCC)C1 ZINC001481503414 927006343 /nfs/dbraw/zinc/00/63/43/927006343.db2.gz QBSXSCGBPKIPHA-SJLPKXTDSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(C)CC[N@H+](C)CC1CCN(C(=O)[C@H]2CC2(C)C)CC1 ZINC001481513056 927009345 /nfs/dbraw/zinc/00/93/45/927009345.db2.gz YMKPJBCEKLONSO-MRXNPFEDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC001481515403 927011413 /nfs/dbraw/zinc/01/14/13/927011413.db2.gz NPAGRRGDDRVACT-HZPDHXFCSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[N@H+](CC/C=C\CC)C2)CC1 ZINC001481693033 927057774 /nfs/dbraw/zinc/05/77/74/927057774.db2.gz UUEGNPULLHAERO-CHYADLBTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)CC[C@@H](C)CC)C1 ZINC001481778292 927088022 /nfs/dbraw/zinc/08/80/22/927088022.db2.gz UJVGTHNFOYEOOQ-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(CC)CCCC1 ZINC001481876415 927101595 /nfs/dbraw/zinc/10/15/95/927101595.db2.gz KYEYWRJMEBEKAC-CVEARBPZSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001482611733 927321313 /nfs/dbraw/zinc/32/13/13/927321313.db2.gz BOSLNEUYMCVNIK-HUUCEWRRSA-N 1 1 280.456 3.025 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)C[C@@H]1CCO[C@H]1C ZINC001473137458 937164513 /nfs/dbraw/zinc/16/45/13/937164513.db2.gz WFNAPIIBFXXUQK-RDJZCZTQSA-N 1 1 259.393 3.142 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cccn1C(C)C ZINC001483422827 927503777 /nfs/dbraw/zinc/50/37/77/927503777.db2.gz WDBZHYMDHKYDIR-OAHLLOKOSA-N 1 1 291.439 3.085 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@H]1CC[N@H+]1CC1=CCCCC1 ZINC001483673111 927564789 /nfs/dbraw/zinc/56/47/89/927564789.db2.gz MXOLEBKZCBBZHS-NVXWUHKLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@]2(CCN(C(=O)C3CC3)C2)C1 ZINC001483828742 927630019 /nfs/dbraw/zinc/63/00/19/927630019.db2.gz ZTKYUMRINPZNTN-CRAIPNDOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@]2(CCN(C(=O)C(C)C)C2)C1 ZINC001483827672 927630385 /nfs/dbraw/zinc/63/03/85/927630385.db2.gz AGBOOIMVMCJCNH-AEFFLSMTSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@@H](C)CC)C2)C1 ZINC001483838831 927634058 /nfs/dbraw/zinc/63/40/58/927634058.db2.gz MNBQIEUAYWZHAX-WMZOPIPTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@H](C)CC)C2)C1 ZINC001483838446 927634789 /nfs/dbraw/zinc/63/47/89/927634789.db2.gz GJSCACMEYDSIJG-AEFFLSMTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)C[C@@H](C)CCC)C1 ZINC001484033261 927666537 /nfs/dbraw/zinc/66/65/37/927666537.db2.gz BUJKQLQDYZCMRE-DOTOQJQBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)C2CCCC2)C1 ZINC001484147984 927680538 /nfs/dbraw/zinc/68/05/38/927680538.db2.gz DSIZCGNQOPFUFE-SFHVURJKSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)C2(CC)CC2)C1 ZINC001484167925 927686929 /nfs/dbraw/zinc/68/69/29/927686929.db2.gz INJBIYGLAYKSEE-OAHLLOKOSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)C2(CC)CC2)C1 ZINC001484167925 927686939 /nfs/dbraw/zinc/68/69/39/927686939.db2.gz INJBIYGLAYKSEE-OAHLLOKOSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCC)C2 ZINC001484317802 927691974 /nfs/dbraw/zinc/69/19/74/927691974.db2.gz JAYZTTQQXGPBLP-JYJNAYRXSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H](C)CC ZINC001484458633 927706305 /nfs/dbraw/zinc/70/63/05/927706305.db2.gz BZRPZBFXWSPGQK-GVDBMIGSSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC(C)C ZINC001484457634 927708331 /nfs/dbraw/zinc/70/83/31/927708331.db2.gz WUULCSCXESMVNV-CVEARBPZSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CC(C)(C)C)CC1 ZINC001484705894 927739872 /nfs/dbraw/zinc/73/98/72/927739872.db2.gz BCVONZYHMKTABC-CYBMUJFWSA-N 1 1 286.847 3.146 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)CCCCC(C)C)CC1 ZINC001484725000 927742498 /nfs/dbraw/zinc/74/24/98/927742498.db2.gz AIKGABNTJSVNKG-INIZCTEOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C2(CC)CC2)CC1 ZINC001484722349 927744812 /nfs/dbraw/zinc/74/48/12/927744812.db2.gz HSIASJGQIWDRIX-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC[C@@]2(CC[N@H+](CCC)C2)C1 ZINC001484833171 927760695 /nfs/dbraw/zinc/76/06/95/927760695.db2.gz YDCCTCQMCQYCFX-WMZOPIPTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@@H+](CC2=CCCCC2)[C@H](C)C1 ZINC001484968562 927777982 /nfs/dbraw/zinc/77/79/82/927777982.db2.gz REXJUYWHPQXJEI-WBVHZDCISA-N 1 1 290.451 3.422 20 30 CGEDMO C=CC[N@H+](CC)CC1CCN(C(=O)[C@H](C)[C@H](C)CC)CC1 ZINC001485033345 927792765 /nfs/dbraw/zinc/79/27/65/927792765.db2.gz DUGPDRIFZKZZGD-HZPDHXFCSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)CSCCC ZINC001485051401 927795274 /nfs/dbraw/zinc/79/52/74/927795274.db2.gz NFHKRIUWZYFEJK-HNNXBMFYSA-N 1 1 298.496 3.019 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@H]1C[N@@H+](C)CCC(=C)C ZINC001485065105 927796170 /nfs/dbraw/zinc/79/61/70/927796170.db2.gz GDRXNXXDQQPJMW-HNNXBMFYSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](CC)CCC ZINC001485073655 927805420 /nfs/dbraw/zinc/80/54/20/927805420.db2.gz UPBHHQCEPUMWLN-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H](C)[N@@H+](C)CC1CC(C)C1 ZINC001485306655 927849276 /nfs/dbraw/zinc/84/92/76/927849276.db2.gz NGJGDGRUMFEVSR-SHARSMKWSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@H](NC(=O)C2CCCC2)C(C)(C)C1 ZINC001485559554 927886414 /nfs/dbraw/zinc/88/64/14/927886414.db2.gz YTVXHYAGMDKMGX-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1C[N@H+](C/C=C\Cl)CC1(C)C ZINC001485568726 927889679 /nfs/dbraw/zinc/88/96/79/927889679.db2.gz GJXZWBORZGLIDX-WSROAFLRSA-N 1 1 298.858 3.168 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1C[N@@H+](C/C=C\Cl)CC1(C)C ZINC001485568726 927889689 /nfs/dbraw/zinc/88/96/89/927889689.db2.gz GJXZWBORZGLIDX-WSROAFLRSA-N 1 1 298.858 3.168 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCC)C[C@H]2C1 ZINC001485655672 927894950 /nfs/dbraw/zinc/89/49/50/927894950.db2.gz WTRRGYJPWSKMEQ-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO CC#CC[N@H+](C)C1CCN(C(=O)[C@@H](CC)CCCC)CC1 ZINC001485753539 927912939 /nfs/dbraw/zinc/91/29/39/927912939.db2.gz KSSGRVGCZHLSPV-INIZCTEOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC([N@H+](C)C[C@H](C)CC)CC2)C1 ZINC001485762749 927914982 /nfs/dbraw/zinc/91/49/82/927914982.db2.gz BWLVWVYHPWYZEA-CQSZACIVSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC([N@H+](C)C[C@H](F)CC)CC1 ZINC001485764243 927915488 /nfs/dbraw/zinc/91/54/88/927915488.db2.gz KSNXHBUVTWGFOS-CQSZACIVSA-N 1 1 298.446 3.260 20 30 CGEDMO C=C(C)CC[N@H+](C)C1CCN(C(=O)[C@H]2CC[C@@H](C)C2)CC1 ZINC001485763716 927916353 /nfs/dbraw/zinc/91/63/53/927916353.db2.gz DSOQLGZRJLWSSD-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC001473865839 937202444 /nfs/dbraw/zinc/20/24/44/937202444.db2.gz YUGHGKWTRDWGNI-ZIAGYGMSSA-N 1 1 280.412 3.036 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)CSCCC)[C@H]1C ZINC001486172580 927993585 /nfs/dbraw/zinc/99/35/85/927993585.db2.gz WQPGRPUVYVPPDL-HUUCEWRRSA-N 1 1 298.496 3.065 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CCC[N@H+](CCCC)[C@H]1C ZINC001486177325 927996225 /nfs/dbraw/zinc/99/62/25/927996225.db2.gz PIZOUCSVLWQDAF-GJZGRUSLSA-N 1 1 266.429 3.112 20 30 CGEDMO C[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)[C@H](C)CCO1 ZINC001560232876 937211983 /nfs/dbraw/zinc/21/19/83/937211983.db2.gz KJJPBWZLMAUPEE-ZIAGYGMSSA-N 1 1 277.795 3.191 20 30 CGEDMO C[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)[C@H](C)CCO1 ZINC001560232876 937211985 /nfs/dbraw/zinc/21/19/85/937211985.db2.gz KJJPBWZLMAUPEE-ZIAGYGMSSA-N 1 1 277.795 3.191 20 30 CGEDMO C=CCC[C@H]1CCC[N@H+]1C[C@@H]1COC2(CCCCC2)O1 ZINC001560200372 937212116 /nfs/dbraw/zinc/21/21/16/937212116.db2.gz VJQRGGMLMGVPNS-JKSUJKDBSA-N 1 1 279.424 3.493 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC1=CC[N@@H+](CC=C(C)C)CC1 ZINC001486512236 928029868 /nfs/dbraw/zinc/02/98/68/928029868.db2.gz AMDXGIKXLNZZDK-UHFFFAOYSA-N 1 1 290.451 3.303 20 30 CGEDMO CCCCCCC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2C)CC1 ZINC001486512656 928031015 /nfs/dbraw/zinc/03/10/15/928031015.db2.gz IQCBAEGNNPGQMS-NVXWUHKLSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CC(C)(C)CC(=O)N(C)C1C[NH+](CC/C=C\CCC)C1 ZINC001323931293 928084509 /nfs/dbraw/zinc/08/45/09/928084509.db2.gz NMLHWIKNFFKHIP-KTKRTIGZSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)c1ccn(C(C)C)c1C ZINC001317548785 928093690 /nfs/dbraw/zinc/09/36/90/928093690.db2.gz WCBISQPIGNAYSQ-UHFFFAOYSA-N 1 1 291.439 3.005 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCc2c(O)cccc2C1 ZINC001171204582 928200686 /nfs/dbraw/zinc/20/06/86/928200686.db2.gz ZIWNSMKDKPMUPQ-AWEZNQCLSA-N 1 1 292.382 3.253 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C2CC3(CC3)C2)C1 ZINC001494853413 928202924 /nfs/dbraw/zinc/20/29/24/928202924.db2.gz FBIOYIYJXCUQPK-GOEBONIOSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)CC(C)=C(C)C ZINC001488646249 928289354 /nfs/dbraw/zinc/28/93/54/928289354.db2.gz BEBCIQDHZQORHM-INIZCTEOSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C(=C)C)[C@H]1CC ZINC001489126069 928315392 /nfs/dbraw/zinc/31/53/92/928315392.db2.gz YENPGZIIHRRRSE-LSDHHAIUSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)CCCC#CC)[C@H]1CC ZINC001489129009 928315462 /nfs/dbraw/zinc/31/54/62/928315462.db2.gz UIZYSXWVBQMYRS-DLBZAZTESA-N 1 1 290.451 3.115 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](CCC)C(C)C)[C@H]1C ZINC001489293017 928323105 /nfs/dbraw/zinc/32/31/05/928323105.db2.gz GLPVFYZGJFSDBJ-OAGGEKHMSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)C1CC(C)(C)C1 ZINC001490185992 928337243 /nfs/dbraw/zinc/33/72/43/928337243.db2.gz AFODPUXUVMAAEJ-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+](C)CCCNC(=O)c1ccc(C(C)C)cc1 ZINC001490274501 928340172 /nfs/dbraw/zinc/34/01/72/928340172.db2.gz XEJZGBZAAKBCLX-UHFFFAOYSA-N 1 1 288.435 3.438 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1CCC[N@H+](CCC(=C)C)C1 ZINC001490438241 928354959 /nfs/dbraw/zinc/35/49/59/928354959.db2.gz ANFNTNRUCWNQJM-QGZVFWFLSA-N 1 1 290.451 3.302 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)c2cccc(C)c2C)C1 ZINC001490574797 928376126 /nfs/dbraw/zinc/37/61/26/928376126.db2.gz XMEJTCGCTAOAEG-INIZCTEOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N(C)CC[N@@H+](C)CC1CCCC1 ZINC001320042978 928487228 /nfs/dbraw/zinc/48/72/28/928487228.db2.gz PEFCMFHRHIRTSI-KRWDZBQOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc([C@@H]3C[C@H]3C)o2)C1 ZINC001320084569 928488970 /nfs/dbraw/zinc/48/89/70/928488970.db2.gz BJPNDXVIHSWJEL-UMVBOHGHSA-N 1 1 261.365 3.180 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H](C)C[N@@H+](C)CC1CCCC1 ZINC001322225887 928508410 /nfs/dbraw/zinc/50/84/10/928508410.db2.gz XDQPKYSKVYKEAI-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)CC(C)(C)CC)C1 ZINC001491109045 928832688 /nfs/dbraw/zinc/83/26/88/928832688.db2.gz XUULUBSIZSKTPG-HNNXBMFYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@]1(C)CC=CCC1 ZINC001491216052 928844880 /nfs/dbraw/zinc/84/48/80/928844880.db2.gz XJTIVXKIYKUMHU-SJLPKXTDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)C(C)(C)C ZINC001491212643 928845695 /nfs/dbraw/zinc/84/56/95/928845695.db2.gz DHTBPHVQKOMVLF-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CCCCCC(=O)N[C@H](C)[C@@H]1CCC[N@H+](CCCC)C1 ZINC001491289350 928854443 /nfs/dbraw/zinc/85/44/43/928854443.db2.gz MNEMIJHXECICPK-IAGOWNOFSA-N 1 1 292.467 3.197 20 30 CGEDMO C#CCCCCC(=O)N[C@@H](C)[C@H]1CCC[N@H+](CCCC)C1 ZINC001491289351 928854784 /nfs/dbraw/zinc/85/47/84/928854784.db2.gz MNEMIJHXECICPK-IRXDYDNUSA-N 1 1 292.467 3.197 20 30 CGEDMO C#C[C@H](CC)NC(=O)c1ccc(C[N@H+](CC)CCC)cc1 ZINC000754367341 928857627 /nfs/dbraw/zinc/85/76/27/928857627.db2.gz RCFIOHQNYMZDNR-QGZVFWFLSA-N 1 1 286.419 3.060 20 30 CGEDMO CC[C@]1(C)CCC[N@@H+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC001459570889 937492763 /nfs/dbraw/zinc/49/27/63/937492763.db2.gz ZKOXJGXYXHREAW-DLBZAZTESA-N 1 1 272.392 3.104 20 30 CGEDMO C#CCOCC[N@H+]1CCC[C@H]1CCC1CCCCC1 ZINC001459771215 937499320 /nfs/dbraw/zinc/49/93/20/937499320.db2.gz WCIRMYSVKVKALH-KRWDZBQOSA-N 1 1 263.425 3.461 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C(C)(C)C)C2)cc1 ZINC001459805748 937501230 /nfs/dbraw/zinc/50/12/30/937501230.db2.gz HXSOIBZAJONSJW-MRXNPFEDSA-N 1 1 298.430 3.365 20 30 CGEDMO C=C(CC)C[N@@H+]1CCC[C@@]1(CCC)C(=O)OCC ZINC001460041865 937510954 /nfs/dbraw/zinc/51/09/54/937510954.db2.gz WNUSBJAZRIAFJB-HNNXBMFYSA-N 1 1 253.386 3.150 20 30 CGEDMO C=CCCCCC[NH2+][C@H](C(=O)OC)[C@@H]1CCC[C@H](OC)C1 ZINC001460328599 937527066 /nfs/dbraw/zinc/52/70/66/937527066.db2.gz KTHNRQDMSDRCQL-PMPSAXMXSA-N 1 1 297.439 3.069 20 30 CGEDMO C/C=C/C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC001460560021 937535180 /nfs/dbraw/zinc/53/51/80/937535180.db2.gz YMKZOPHPWWYTPP-WOMSROEHSA-N 1 1 297.402 3.175 20 30 CGEDMO Cc1cc([C@@H]2CCCC[N@@H+]2Cc2ccc(C#N)cc2)[nH]n1 ZINC001460835150 937548307 /nfs/dbraw/zinc/54/83/07/937548307.db2.gz OWTRXRGLKPSTDW-KRWDZBQOSA-N 1 1 280.375 3.317 20 30 CGEDMO Cc1cc([C@@H]2CCCC[N@H+]2Cc2ccc(C#N)cc2)[nH]n1 ZINC001460835150 937548310 /nfs/dbraw/zinc/54/83/10/937548310.db2.gz OWTRXRGLKPSTDW-KRWDZBQOSA-N 1 1 280.375 3.317 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@](CC)(C(=O)OC(C)(C)C)C1 ZINC001460870243 937550307 /nfs/dbraw/zinc/55/03/07/937550307.db2.gz KETDPGQWCXOFJI-MRXNPFEDSA-N 1 1 267.413 3.396 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1C[C@H](O)CCc1ccccc1 ZINC001460886778 937550548 /nfs/dbraw/zinc/55/05/48/937550548.db2.gz PQOUQZQUBUBKMF-ZWKOTPCHSA-N 1 1 273.420 3.411 20 30 CGEDMO N#Cc1ccc(C[N@@H+](C2CCC2)C2CCOCC2)cc1F ZINC001139530489 931953858 /nfs/dbraw/zinc/95/38/58/931953858.db2.gz FHRTUPWOLNMZSL-UHFFFAOYSA-N 1 1 288.366 3.231 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1c(C)nn(C)c1Cl ZINC001460890425 937551230 /nfs/dbraw/zinc/55/12/30/937551230.db2.gz MPTKGQOYYKYQLN-LBPRGKRZSA-N 1 1 267.804 3.313 20 30 CGEDMO CC[N@H+](Cc1cc(C#N)ccc1Cl)C1CCN(C)CC1 ZINC001140601054 931959263 /nfs/dbraw/zinc/95/92/63/931959263.db2.gz GKOYCYSUUCCSMQ-UHFFFAOYSA-N 1 1 291.826 3.128 20 30 CGEDMO CC[N@@H+](Cc1cc(C#N)ccc1Cl)C1CCN(C)CC1 ZINC001140601054 931959266 /nfs/dbraw/zinc/95/92/66/931959266.db2.gz GKOYCYSUUCCSMQ-UHFFFAOYSA-N 1 1 291.826 3.128 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC(C)(C)C1 ZINC001157172712 931979415 /nfs/dbraw/zinc/97/94/15/931979415.db2.gz RXEXIZOKIVSHNJ-CVEARBPZSA-N 1 1 292.467 3.053 20 30 CGEDMO C[N@@H+](Cc1ccc(F)cc1)Cc1cc(F)cc(C#N)c1 ZINC000163557649 932003367 /nfs/dbraw/zinc/00/33/67/932003367.db2.gz OLZNMAHTJGGYDY-UHFFFAOYSA-N 1 1 272.298 3.468 20 30 CGEDMO C[N@H+]1CCc2cc(O[C@H](C#N)c3cccc(F)c3)ccc2C1 ZINC001228943782 932056705 /nfs/dbraw/zinc/05/67/05/932056705.db2.gz JSIWACHLEXXYMC-GOSISDBHSA-N 1 1 296.345 3.457 20 30 CGEDMO C[C@@H](Oc1ccc(C(=[NH2+])NO)c(F)c1)c1ccccc1C#N ZINC001229081881 932089697 /nfs/dbraw/zinc/08/96/97/932089697.db2.gz XAIIWERRRBWQRN-SNVBAGLBSA-N 1 1 299.305 3.142 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)C[C@@]1(C)CCCCO1 ZINC001461896372 937604375 /nfs/dbraw/zinc/60/43/75/937604375.db2.gz JDOLFWLGGFAXTK-OAHLLOKOSA-N 1 1 252.402 3.207 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)C(C)(CC)CC)CC1 ZINC001230302493 932555149 /nfs/dbraw/zinc/55/51/49/932555149.db2.gz LTULRZFYLMRGPB-UHFFFAOYSA-N 1 1 286.847 3.146 20 30 CGEDMO C=CCCC(=O)N1CCC([C@@H]2CCC[N@@H+]2CCCC)CC1 ZINC001230537216 932585556 /nfs/dbraw/zinc/58/55/56/932585556.db2.gz DEIKYJSPWGXQJU-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C)CCC)CC1 ZINC001230541437 932585990 /nfs/dbraw/zinc/58/59/90/932585990.db2.gz NXUHJBDKHPUGHF-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[C@H](C)CC)CC1 ZINC001230558043 932588181 /nfs/dbraw/zinc/58/81/81/932588181.db2.gz UZZVODZFFZTTFC-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)CCCF)CC1 ZINC001230587868 932593509 /nfs/dbraw/zinc/59/35/09/932593509.db2.gz YRJFEQDEGMVDBN-INIZCTEOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1sccc1C ZINC001230588689 932594469 /nfs/dbraw/zinc/59/44/69/932594469.db2.gz RKLUJWXMUFSBRH-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1 ZINC001230622362 932599496 /nfs/dbraw/zinc/59/94/96/932599496.db2.gz XYBNYMNHBJLAEU-WBVHZDCISA-N 1 1 286.419 3.188 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C1CCCCC1 ZINC001230646926 932602797 /nfs/dbraw/zinc/60/27/97/932602797.db2.gz YVZFKYCCVTXAQJ-NVXWUHKLSA-N 1 1 292.467 3.454 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H]2COCc2ccccc2)s1 ZINC001232843783 932683093 /nfs/dbraw/zinc/68/30/93/932683093.db2.gz CGFBSPAGUMFZQP-OAHLLOKOSA-N 1 1 298.411 3.411 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]2COCc2ccccc2)s1 ZINC001232843783 932683096 /nfs/dbraw/zinc/68/30/96/932683096.db2.gz CGFBSPAGUMFZQP-OAHLLOKOSA-N 1 1 298.411 3.411 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CCC[N@@H+](CC(=C)C)[C@H]1C ZINC001332208718 932735192 /nfs/dbraw/zinc/73/51/92/932735192.db2.gz WWSSEPBJOMOSAV-GJZGRUSLSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CC(C)(C)CC(=O)NCCC[N@H+](C)CCC(C)(C)C ZINC001264990043 932741571 /nfs/dbraw/zinc/74/15/71/932741571.db2.gz GMMOJGWBLXGCOP-UHFFFAOYSA-N 1 1 282.472 3.463 20 30 CGEDMO N#CC1(C[NH2+][C@@H]2CCCc3ncccc32)CCCC1 ZINC001332448385 932744937 /nfs/dbraw/zinc/74/49/37/932744937.db2.gz VVWHLHFZGVRBEF-OAHLLOKOSA-N 1 1 255.365 3.133 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCC[C@@H]2C2CCOCC2)CC1 ZINC001334661287 932769387 /nfs/dbraw/zinc/76/93/87/932769387.db2.gz QSYHLADAABAZFZ-VMBOVVBDSA-N 1 1 276.424 3.207 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC23CC3)C1 ZINC001491931579 932798044 /nfs/dbraw/zinc/79/80/44/932798044.db2.gz BCFLFBHSRHFJER-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC23CC3)C1 ZINC001491931578 932798403 /nfs/dbraw/zinc/79/84/03/932798403.db2.gz BCFLFBHSRHFJER-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C=C2CCC2)C1 ZINC001317200104 932819695 /nfs/dbraw/zinc/81/96/95/932819695.db2.gz IIRDSBWXESLVST-UKRRQHHQSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@H](C)[NH2+]C/C(Cl)=C/Cl ZINC001317243023 932823854 /nfs/dbraw/zinc/82/38/54/932823854.db2.gz WJKRIASRVHVNKI-QBQSQJOESA-N 1 1 293.238 3.002 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@H]([N@@H+](C)C/C=C/Cl)C1 ZINC001317377603 932860897 /nfs/dbraw/zinc/86/08/97/932860897.db2.gz UKTNRXNVPOWDJP-KGXGESDWSA-N 1 1 298.858 3.264 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)C2(C3CC3)CC2)C1 ZINC001317376524 932861413 /nfs/dbraw/zinc/86/14/13/932861413.db2.gz PVTUMSGFWHKNKI-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H](CCC)C(C)C ZINC001317430966 932870267 /nfs/dbraw/zinc/87/02/67/932870267.db2.gz CXLQSQDEIWYCGX-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@@H+](C)CCCNC(=O)c1cc(F)ccc1Cl ZINC001316850456 932871851 /nfs/dbraw/zinc/87/18/51/932871851.db2.gz JAMPAOAYXRDKHM-UHFFFAOYSA-N 1 1 298.789 3.107 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@H+](CCCC)[C@@H]1CC ZINC001316739396 932878118 /nfs/dbraw/zinc/87/81/18/932878118.db2.gz TZCUVQNZLPXWKI-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1ccc(C(F)(F)F)cc1C ZINC001462461447 937642971 /nfs/dbraw/zinc/64/29/71/937642971.db2.gz XGRQVYQEGOVWCC-UHFFFAOYSA-N 1 1 299.336 3.486 20 30 CGEDMO C[C@@H]1CCC[C@@H](C)[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC001307480025 932959480 /nfs/dbraw/zinc/95/94/80/932959480.db2.gz SZEUHPZLEDSGRD-CHWSQXEVSA-N 1 1 287.363 3.477 20 30 CGEDMO CC(C)C[N@@H+](C[C@@H](O)CC1(C#N)CCC1)CC(C)(C)C ZINC001307583657 932973225 /nfs/dbraw/zinc/97/32/25/932973225.db2.gz POIQAUNSFDGLIV-HNNXBMFYSA-N 1 1 280.456 3.435 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1C[C@H](Cc1ccccc1)OC ZINC001307731323 932992900 /nfs/dbraw/zinc/99/29/00/932992900.db2.gz DOIJTIQXHWPUBG-IRXDYDNUSA-N 1 1 259.393 3.285 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cccc(OC(C)(C)C)n2)C1 ZINC001307871423 933012240 /nfs/dbraw/zinc/01/22/40/933012240.db2.gz BOASTNRQPCYITN-HNNXBMFYSA-N 1 1 286.419 3.494 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@@H]1CC(=O)OC(C)(C)C ZINC001307900425 933016148 /nfs/dbraw/zinc/01/61/48/933016148.db2.gz HIKNYBBPXPDPCN-GFCCVEGCSA-N 1 1 273.804 3.325 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CC(=O)OC(C)(C)C ZINC001307900425 933016156 /nfs/dbraw/zinc/01/61/56/933016156.db2.gz HIKNYBBPXPDPCN-GFCCVEGCSA-N 1 1 273.804 3.325 20 30 CGEDMO C#CC[N@@H+](CCCSCc1ccccc1)C1CSC1 ZINC001307919875 933019862 /nfs/dbraw/zinc/01/98/62/933019862.db2.gz YTIYGHHJWOTGRG-UHFFFAOYSA-N 1 1 291.485 3.361 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](CC(=O)NCCCC2CCCCC2)C1 ZINC001307960631 933027684 /nfs/dbraw/zinc/02/76/84/933027684.db2.gz ATVDHWLJFJAZSX-QGZVFWFLSA-N 1 1 292.467 3.361 20 30 CGEDMO N#C[C@H]1CC[C@H]([N@@H+]2C[C@H]3[C@H](C[C@@H]3c3ccccc3)C2)C1 ZINC001307998096 933032092 /nfs/dbraw/zinc/03/20/92/933032092.db2.gz YMJIGYNPZCLGLW-JWYNJWGYSA-N 1 1 266.388 3.414 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)C[C@H]1CCC2(CCC2)CO1 ZINC001308017868 933035340 /nfs/dbraw/zinc/03/53/40/933035340.db2.gz XDMJPLWDHNZQLF-GOSISDBHSA-N 1 1 298.430 3.382 20 30 CGEDMO CC(C)(CC[N@H+]1CCc2c(C#N)c(N)sc2C1)C1CC1 ZINC001308131627 933053701 /nfs/dbraw/zinc/05/37/01/933053701.db2.gz GHFHDAQQOSXAJW-UHFFFAOYSA-N 1 1 289.448 3.386 20 30 CGEDMO CCCCCCCC[N@@H+]1CCn2c(C)nnc2[C@H]1C ZINC001308178523 933066016 /nfs/dbraw/zinc/06/60/16/933066016.db2.gz UXGOJPCALWOAET-CYBMUJFWSA-N 1 1 264.417 3.324 20 30 CGEDMO CCCCCCCC[N@H+]1CCn2c(C)nnc2[C@H]1C ZINC001308178523 933066026 /nfs/dbraw/zinc/06/60/26/933066026.db2.gz UXGOJPCALWOAET-CYBMUJFWSA-N 1 1 264.417 3.324 20 30 CGEDMO C=CC[NH+](CC=C)[C@H](CNCc1cc(C)co1)C(C)C ZINC001308196136 933071419 /nfs/dbraw/zinc/07/14/19/933071419.db2.gz BSMWZLGERKMKRU-QGZVFWFLSA-N 1 1 276.424 3.376 20 30 CGEDMO C#CC[N@@H+](Cc1cc(C)c2ncccc2c1)C(C)C ZINC001462628037 937655649 /nfs/dbraw/zinc/65/56/49/937655649.db2.gz AOMOTMYBFHCKGL-UHFFFAOYSA-N 1 1 252.361 3.387 20 30 CGEDMO CCn1ccc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)n1 ZINC001308608187 933141008 /nfs/dbraw/zinc/14/10/08/933141008.db2.gz AJLILSCOFBFXTC-UHFFFAOYSA-N 1 1 296.418 3.433 20 30 CGEDMO CCn1ccc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)n1 ZINC001308608187 933141009 /nfs/dbraw/zinc/14/10/09/933141009.db2.gz AJLILSCOFBFXTC-UHFFFAOYSA-N 1 1 296.418 3.433 20 30 CGEDMO C=C(C)[C@@H](N[C@H]1CCC[N@@H+](C)C1)c1ccc(F)c(F)c1 ZINC001308698208 933160450 /nfs/dbraw/zinc/16/04/50/933160450.db2.gz YTEOYXHGPLPRAD-XJKSGUPXSA-N 1 1 280.362 3.266 20 30 CGEDMO C=C(C)[C@@H](N[C@H]1CCC[N@H+](C)C1)c1ccc(F)c(F)c1 ZINC001308698208 933160453 /nfs/dbraw/zinc/16/04/53/933160453.db2.gz YTEOYXHGPLPRAD-XJKSGUPXSA-N 1 1 280.362 3.266 20 30 CGEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC001308798432 933178843 /nfs/dbraw/zinc/17/88/43/933178843.db2.gz BXCQYRQPJOFXHJ-MRXNPFEDSA-N 1 1 283.419 3.246 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CC(C)(C)CC(=O)OCC)C1 ZINC001308856493 933190224 /nfs/dbraw/zinc/19/02/24/933190224.db2.gz XLURTTCHNOTXGY-CQSZACIVSA-N 1 1 267.413 3.254 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001308880390 933196311 /nfs/dbraw/zinc/19/63/11/933196311.db2.gz LVQSHERYUPUJLP-CQSZACIVSA-N 1 1 272.348 3.057 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001308938645 933207198 /nfs/dbraw/zinc/20/71/98/933207198.db2.gz OSQUYATVKFJMSV-VQTJNVASSA-N 1 1 273.379 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CC)CCNC(=O)[C@H]1CC12CCCC2 ZINC001317489234 933254540 /nfs/dbraw/zinc/25/45/40/933254540.db2.gz YHWREWLSOUGZOW-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[C@@H](CC)NC(=O)NC[C@H]1CCCC[N@@H+]1CCCC ZINC001311891358 933319884 /nfs/dbraw/zinc/31/98/84/933319884.db2.gz VYPLEULBEVFTED-HZPDHXFCSA-N 1 1 295.471 3.295 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](C)C(C)C)C1 ZINC001317042432 933467642 /nfs/dbraw/zinc/46/76/42/933467642.db2.gz KRLPPKMAFFYINV-IAGOWNOFSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](CCC(=C)C)[C@@H]1C ZINC001316791938 933480723 /nfs/dbraw/zinc/48/07/23/933480723.db2.gz GOOKZUTZXXKIKN-CABCVRRESA-N 1 1 278.440 3.134 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)CCC(C)C)CC(C)(C)C1 ZINC001316807732 933485594 /nfs/dbraw/zinc/48/55/94/933485594.db2.gz IIWJUTSOUPSVMR-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCCNC(=O)c1ccccc1 ZINC001316884015 933489108 /nfs/dbraw/zinc/48/91/08/933489108.db2.gz UJPPWPQULFDOIS-UHFFFAOYSA-N 1 1 274.408 3.095 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)[C@@H]1CCCC[C@H]1C)C1CC1 ZINC001316921642 933495472 /nfs/dbraw/zinc/49/54/72/933495472.db2.gz URLVTBTVPVGZBR-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)CCCCCCCC)C1 ZINC001316956141 933502010 /nfs/dbraw/zinc/50/20/10/933502010.db2.gz ZBJNIHXIEDHUCA-KRWDZBQOSA-N 1 1 292.467 3.341 20 30 CGEDMO C=CC[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC=C)C1)c1ccccc1 ZINC001316952212 933502533 /nfs/dbraw/zinc/50/25/33/933502533.db2.gz NPKBDSFIQDOGMF-ZWKOTPCHSA-N 1 1 298.430 3.113 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)C2CCCCC2)C1 ZINC001316987356 933504958 /nfs/dbraw/zinc/50/49/58/933504958.db2.gz BSHQTXHGGINYDL-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)C2(F)CCCCC2)C1 ZINC001316992902 933508200 /nfs/dbraw/zinc/50/82/00/933508200.db2.gz WDDMJACCVBJPHX-CABCVRRESA-N 1 1 296.430 3.204 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC2(C)C)C1 ZINC001317032680 933516212 /nfs/dbraw/zinc/51/62/12/933516212.db2.gz HCHCPWSKILKYAW-JKSUJKDBSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@@H]1CCCN(C(=O)C2(CC)CC2)C1 ZINC001317045393 933521300 /nfs/dbraw/zinc/52/13/00/933521300.db2.gz VLRWNDPKMQWPLK-AWEZNQCLSA-N 1 1 298.858 3.100 20 30 CGEDMO C=CCCCCCN(C)C(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC001465308384 937700062 /nfs/dbraw/zinc/70/00/62/937700062.db2.gz FUMCYXQHGQNZQW-CQSZACIVSA-N 1 1 266.429 3.064 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@](C)(CC)CCC)C1 ZINC001317144386 933540375 /nfs/dbraw/zinc/54/03/75/933540375.db2.gz SIGXBVNUYZWMTR-SJLPKXTDSA-N 1 1 292.467 3.054 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)CC[C@H](C)CC)C1 ZINC001317138134 933540870 /nfs/dbraw/zinc/54/08/70/933540870.db2.gz AXNYZICSXNKWCV-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@H]1CCCC[N@@H+]1CC(=C)C ZINC001317173997 933547356 /nfs/dbraw/zinc/54/73/56/933547356.db2.gz RGEXZVKQAWLWIS-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCCCCN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001465308650 937700136 /nfs/dbraw/zinc/70/01/36/937700136.db2.gz RBRBZZIMKRONBR-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2(C)CC(=C)C2)C1 ZINC001317209219 933554087 /nfs/dbraw/zinc/55/40/87/933554087.db2.gz OBISTYOUTWMJCF-HOTGVXAUSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]([N@H+](C)CCCCCC)C1 ZINC001317371707 933580026 /nfs/dbraw/zinc/58/00/26/933580026.db2.gz UXPLKVCAUZDQKN-INIZCTEOSA-N 1 1 280.456 3.456 20 30 CGEDMO CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](CC)CC(C)C)C1 ZINC001317380999 933581373 /nfs/dbraw/zinc/58/13/73/933581373.db2.gz IDJRZZYXWNIVPI-DLBZAZTESA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001317383166 933581409 /nfs/dbraw/zinc/58/14/09/933581409.db2.gz KBTMTACEWHJADE-IXDOHACOSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)C2CCC(F)CC2)C1 ZINC001317380111 933581902 /nfs/dbraw/zinc/58/19/02/933581902.db2.gz YRXVUEFHZJRBHL-GPANFISMSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H]1CCCNC(=O)C1=CCCC1 ZINC001317424882 933591506 /nfs/dbraw/zinc/59/15/06/933591506.db2.gz LNOYEMJMJOSQHM-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCNC(=O)c1c(C)cccc1Cl ZINC001317459636 933596987 /nfs/dbraw/zinc/59/69/87/933596987.db2.gz NBIAYNGJLDMBLJ-UHFFFAOYSA-N 1 1 294.826 3.276 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CCC[N@@H+]2C[C@@H](F)CC)CCC1 ZINC001317509866 933608268 /nfs/dbraw/zinc/60/82/68/933608268.db2.gz QCBIDPZHLPJBSM-GJZGRUSLSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)[C@H](C)c1ccsc1 ZINC001317544940 933615864 /nfs/dbraw/zinc/61/58/64/933615864.db2.gz DAWNYTZHJNAXAN-CQSZACIVSA-N 1 1 294.464 3.256 20 30 CGEDMO C=CCCC(=O)NCC[N@H+](Cc1ccccc1C)C1CC1 ZINC001317549229 933617391 /nfs/dbraw/zinc/61/73/91/933617391.db2.gz NXOJLMLRHRICIP-UHFFFAOYSA-N 1 1 286.419 3.042 20 30 CGEDMO CC#CC[N@@H+](CCC)CCNC(=O)CC1CCCCCC1 ZINC001317547266 933617636 /nfs/dbraw/zinc/61/76/36/933617636.db2.gz YUWNYWKHSVEQDL-UHFFFAOYSA-N 1 1 292.467 3.198 20 30 CGEDMO C=C(C)C[N@@H+](CCNC(=O)c1cccc(Cl)c1)C1CC1 ZINC001317560070 933620500 /nfs/dbraw/zinc/62/05/00/933620500.db2.gz UANJAHHZTUVGCC-UHFFFAOYSA-N 1 1 292.810 3.110 20 30 CGEDMO C#CC[N@H+](CCCNC(=O)c1ccc(C2CC2)cc1)C(C)C ZINC001317708881 933636217 /nfs/dbraw/zinc/63/62/17/933636217.db2.gz PRJREHUWEPNMCB-UHFFFAOYSA-N 1 1 298.430 3.028 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)c2ccsc2)C1 ZINC001317775349 933646918 /nfs/dbraw/zinc/64/69/18/933646918.db2.gz PYIKSGLKUHFURU-AWEZNQCLSA-N 1 1 292.448 3.156 20 30 CGEDMO C=CCC(C)(C)C(=O)NCC[C@H]1CC[N@H+](C[C@@H](F)CC)C1 ZINC001317801649 933652094 /nfs/dbraw/zinc/65/20/94/933652094.db2.gz DSZMMPBOEULNBI-GJZGRUSLSA-N 1 1 298.446 3.165 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001317796522 933652740 /nfs/dbraw/zinc/65/27/40/933652740.db2.gz ADSXVJJAIHEKDB-CVEARBPZSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCC(=O)N1CC[C@@H](C[N@H+](C)CC(CC)CC)C1 ZINC001317831397 933657259 /nfs/dbraw/zinc/65/72/59/933657259.db2.gz RJINTQGQDZNGKE-INIZCTEOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H](CCC)C(C)C)C1 ZINC001317851964 933659331 /nfs/dbraw/zinc/65/93/31/933659331.db2.gz BOZQDPWKFGGLGE-IAGOWNOFSA-N 1 1 294.483 3.415 20 30 CGEDMO C#CCCCCC(=O)N[C@@H]1CCC[N@H+](CC/C=C/CC)C1 ZINC001317930334 933665088 /nfs/dbraw/zinc/66/50/88/933665088.db2.gz JJWOXXUXJRDJBQ-DBWMJRBXSA-N 1 1 290.451 3.117 20 30 CGEDMO C#CCCCCC(=O)N[C@@H]1CCC[N@H+](CC(CC)CC)C1 ZINC001317931626 933665575 /nfs/dbraw/zinc/66/55/75/933665575.db2.gz WNEJVPYZYSDEBO-QGZVFWFLSA-N 1 1 292.467 3.197 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)CCCC[C@H](C)CC)C1 ZINC001317933634 933668014 /nfs/dbraw/zinc/66/80/14/933668014.db2.gz DNCPTOWCIPTXAE-IAGOWNOFSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CCC[N@H+](CC[C@H](C)F)C2)CCC1 ZINC001317981346 933672747 /nfs/dbraw/zinc/67/27/47/933672747.db2.gz IVHXTRKZLNQNJZ-GJZGRUSLSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)[C@H](C)CC2CCCCC2)C1 ZINC001318066774 933680632 /nfs/dbraw/zinc/68/06/32/933680632.db2.gz FWUKFJMICOLPGY-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC/C=C/CCC ZINC001318209809 933696393 /nfs/dbraw/zinc/69/63/93/933696393.db2.gz PZSVYSZHZTXWSV-FHQWLQQXSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC1CCCCC1 ZINC001318223593 933696415 /nfs/dbraw/zinc/69/64/15/933696415.db2.gz CKQJWTHYFMOJED-IRXDYDNUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC1CCCCC1 ZINC001318223593 933696426 /nfs/dbraw/zinc/69/64/26/933696426.db2.gz CKQJWTHYFMOJED-IRXDYDNUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CCC)CC(C)C ZINC001318228879 933699805 /nfs/dbraw/zinc/69/98/05/933699805.db2.gz VOWVLDPHFXXBEA-IKGGRYGDSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@H](NC(=O)C2CC3(CC3)C2)C1 ZINC001318276169 933703160 /nfs/dbraw/zinc/70/31/60/933703160.db2.gz KDQUEKFXLOGECF-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001318273673 933704875 /nfs/dbraw/zinc/70/48/75/933704875.db2.gz VCLQAKRPCCJKIB-ZFWWWQNUSA-N 1 1 292.448 3.041 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)/C=C\C(C)(C)C)C1 ZINC001318320564 933709153 /nfs/dbraw/zinc/70/91/53/933709153.db2.gz GYXKZODKHQVVMR-RQFGCTGCSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)C(C)(C)C(=C)C)C1 ZINC001318346936 933712090 /nfs/dbraw/zinc/71/20/90/933712090.db2.gz KLLYSJQPRUDMIN-LSDHHAIUSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccsc2)C1 ZINC001318382295 933717244 /nfs/dbraw/zinc/71/72/44/933717244.db2.gz VMULXIDZQQMKDY-DZGCQCFKSA-N 1 1 292.448 3.249 20 30 CGEDMO C=CCCC(=O)N(C)[C@H]1CC[N@H+](C[C@H](C)CC(C)C)C1 ZINC001318385793 933718482 /nfs/dbraw/zinc/71/84/82/933718482.db2.gz JPQUNPMLIVAZPS-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)/C=C(\C)CC)C1 ZINC001318399666 933719906 /nfs/dbraw/zinc/71/99/06/933719906.db2.gz IJKUDOSHTYKJMW-KBYULJEUSA-N 1 1 278.440 3.230 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)CCCCCC(C)C)C1 ZINC001318437488 933723444 /nfs/dbraw/zinc/72/34/44/933723444.db2.gz QRZOUSCWHWJPPC-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)CC)C1 ZINC001318425979 933723715 /nfs/dbraw/zinc/72/37/15/933723715.db2.gz ROWWAYBHJZFBFE-GJZGRUSLSA-N 1 1 280.456 3.310 20 30 CGEDMO C=CCCC(=O)N(CC)[C@@H]1CC[N@@H+](CCCC(C)C)C1 ZINC001318458132 933730716 /nfs/dbraw/zinc/73/07/16/933730716.db2.gz NEAJVARAVNDVLP-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO CS[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(F)cc2C#N)C1 ZINC001318783764 933779217 /nfs/dbraw/zinc/77/92/17/933779217.db2.gz GMTNDHDVBRNCHL-GJZGRUSLSA-N 1 1 278.396 3.413 20 30 CGEDMO C[NH+](C)[C@@H]1CCCC[C@H]1N[C@H]1CCCc2cc(C#N)ccc21 ZINC001319804259 933935018 /nfs/dbraw/zinc/93/50/18/933935018.db2.gz FWNBJTFKMUJXMY-IPMKNSEASA-N 1 1 297.446 3.398 20 30 CGEDMO C[C@H](N[C@H]1CCCC[C@@H]1[NH+](C)C)c1cccc(C#N)c1 ZINC001319837771 933942419 /nfs/dbraw/zinc/94/24/19/933942419.db2.gz VFGWGBMHOPLVTE-JQFCIGGWSA-N 1 1 271.408 3.082 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(OC)cc1Cl)CC1CC1 ZINC001319839219 933942547 /nfs/dbraw/zinc/94/25/47/933942547.db2.gz XXIBKPLENCAWSL-UHFFFAOYSA-N 1 1 263.768 3.194 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OC)cc1Cl)CC1CC1 ZINC001319839219 933942558 /nfs/dbraw/zinc/94/25/58/933942558.db2.gz XXIBKPLENCAWSL-UHFFFAOYSA-N 1 1 263.768 3.194 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)[C@@H](C)c1cccc(C)c1 ZINC001320055282 933987537 /nfs/dbraw/zinc/98/75/37/933987537.db2.gz MMFQMQFJXSMYRW-INIZCTEOSA-N 1 1 288.435 3.065 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2ccccc2N2CCCC2)C1 ZINC001320085830 933995075 /nfs/dbraw/zinc/99/50/75/933995075.db2.gz IYCMKRNKEWZDOD-QGZVFWFLSA-N 1 1 286.419 3.064 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+]([C@@H]2CCc3c2cccc3F)C1 ZINC001320173584 934012992 /nfs/dbraw/zinc/01/29/92/934012992.db2.gz YSEVEJNGHUACQT-CVEARBPZSA-N 1 1 258.340 3.439 20 30 CGEDMO C[C@@]1(C#N)CCC[N@H+]([C@@H]2CCc3c2cccc3F)C1 ZINC001320173584 934012995 /nfs/dbraw/zinc/01/29/95/934012995.db2.gz YSEVEJNGHUACQT-CVEARBPZSA-N 1 1 258.340 3.439 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001320378738 934038582 /nfs/dbraw/zinc/03/85/82/934038582.db2.gz XLSCMFDPUIZLMD-BRWVUGGUSA-N 1 1 257.377 3.067 20 30 CGEDMO CC[N@@H+]1CCCC[C@H]1CNC1CC(C#N)(c2ccccc2)C1 ZINC001321623150 934199039 /nfs/dbraw/zinc/19/90/39/934199039.db2.gz UAVYRCVEWUFDQN-XBMUEBEBSA-N 1 1 297.446 3.074 20 30 CGEDMO CC[N@H+]1CCCC[C@H]1CNC1CC(C#N)(c2ccccc2)C1 ZINC001321623150 934199048 /nfs/dbraw/zinc/19/90/48/934199048.db2.gz UAVYRCVEWUFDQN-XBMUEBEBSA-N 1 1 297.446 3.074 20 30 CGEDMO C=CCn1cnn(C[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)c1=S ZINC001322024945 934232563 /nfs/dbraw/zinc/23/25/63/934232563.db2.gz MPUWRTULWVPTPC-CHWSQXEVSA-N 1 1 280.441 3.068 20 30 CGEDMO C=CCn1cnn(C[N@H+](C)[C@@H]2CCC[C@@H](C)C2)c1=S ZINC001322024945 934232573 /nfs/dbraw/zinc/23/25/73/934232573.db2.gz MPUWRTULWVPTPC-CHWSQXEVSA-N 1 1 280.441 3.068 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H](C)C[N@H+](C)CCCCC ZINC001322218702 934259062 /nfs/dbraw/zinc/25/90/62/934259062.db2.gz NZZFZKJPMDYSBU-CQSZACIVSA-N 1 1 268.445 3.215 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H](C)C[N@@H+](C)CC1CC(C)(C)C1 ZINC001322223601 934261691 /nfs/dbraw/zinc/26/16/91/934261691.db2.gz LSQJZSUQXDXWNI-LSDHHAIUSA-N 1 1 294.483 3.461 20 30 CGEDMO C#CCOCC[N@H+](C)[C@H](C)c1c(C)cc(C)cc1C ZINC001323093028 934363112 /nfs/dbraw/zinc/36/31/12/934363112.db2.gz CPAHHTBDLVRASP-MRXNPFEDSA-N 1 1 259.393 3.254 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](CCCOc2ccccc2C)C1 ZINC001323731020 934421734 /nfs/dbraw/zinc/42/17/34/934421734.db2.gz WCJQUFNMOOWLLM-INIZCTEOSA-N 1 1 275.392 3.041 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C)CCC)C2)C1 ZINC001323800824 934427917 /nfs/dbraw/zinc/42/79/17/934427917.db2.gz BQNGGQAXFJZKBU-SJLPKXTDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC001323965735 934444156 /nfs/dbraw/zinc/44/41/56/934444156.db2.gz PQEAEVNDSZUFSA-XGACYXMMSA-N 1 1 279.330 3.255 20 30 CGEDMO C=CCCCC(=O)N(C)C1C[NH+]([C@@H]2CCc3ccccc32)C1 ZINC001323970012 934444613 /nfs/dbraw/zinc/44/46/13/934444613.db2.gz MLQHWSMKMUUZOI-GOSISDBHSA-N 1 1 298.430 3.173 20 30 CGEDMO N#CCCOCC[N@H+]1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC001324266820 934478015 /nfs/dbraw/zinc/47/80/15/934478015.db2.gz NUOMNGRVPKSWLS-ZWKOTPCHSA-N 1 1 284.403 3.318 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)c2cc(C)c(C)o2)C1 ZINC001324602028 934531477 /nfs/dbraw/zinc/53/14/77/934531477.db2.gz PHFSXLVELVZVKM-QGZVFWFLSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001324630295 934535733 /nfs/dbraw/zinc/53/57/33/934535733.db2.gz VLRIOELHZHAURU-SJLPKXTDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](C)c2ccsc2)C1 ZINC001324646117 934539636 /nfs/dbraw/zinc/53/96/36/934539636.db2.gz GVGNKDXDWGRSDO-XJKSGUPXSA-N 1 1 292.448 3.008 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)C/C=C\c2ccc(C)cc2)C1 ZINC001324679734 934548477 /nfs/dbraw/zinc/54/84/77/934548477.db2.gz FMBIIPXKIQMDNY-SFFCAUCYSA-N 1 1 298.430 3.165 20 30 CGEDMO C#CC[N@H+](CCc1cnn(CC)c1)[C@H]1CCc2ccccc21 ZINC001473121830 937793079 /nfs/dbraw/zinc/79/30/79/937793079.db2.gz KGXSSIGFGGJNFQ-IBGZPJMESA-N 1 1 293.414 3.068 20 30 CGEDMO C#CCOCC[N@@H+](CCC)Cc1c(F)cccc1Cl ZINC001473129251 937793611 /nfs/dbraw/zinc/79/36/11/937793611.db2.gz BSPQEPWBTZPNLU-UHFFFAOYSA-N 1 1 283.774 3.341 20 30 CGEDMO C#CCOCC[N@H+](CCC)Cc1c(F)cccc1Cl ZINC001473129251 937793612 /nfs/dbraw/zinc/79/36/12/937793612.db2.gz BSPQEPWBTZPNLU-UHFFFAOYSA-N 1 1 283.774 3.341 20 30 CGEDMO CCCCCCCCC[N@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC001473153605 937794880 /nfs/dbraw/zinc/79/48/80/937794880.db2.gz FDMZQTSRFYKMSU-INIZCTEOSA-N 1 1 280.456 3.480 20 30 CGEDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cc(C#N)ccn1 ZINC001473195597 937796903 /nfs/dbraw/zinc/79/69/03/937796903.db2.gz ZCWKUEPLKGVEMP-SFHVURJKSA-N 1 1 279.387 3.406 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)CCC1(C(=O)OC(C)(C)C)CCC1 ZINC001473378409 937803734 /nfs/dbraw/zinc/80/37/34/937803734.db2.gz DXIARDBRGSUXHB-UHFFFAOYSA-N 1 1 279.424 3.232 20 30 CGEDMO C=CCC1(C(=O)NC[C@@]2(C)CCC[N@H+](CCC)C2)CCC1 ZINC001324957864 934876962 /nfs/dbraw/zinc/87/69/62/934876962.db2.gz OCHIDAMIGSRUDU-QGZVFWFLSA-N 1 1 292.467 3.361 20 30 CGEDMO C#CCCCCCC[NH2+][C@@](C)(c1noc(C)n1)C1CC1 ZINC001473502608 937809484 /nfs/dbraw/zinc/80/94/84/937809484.db2.gz ZENCPBRIPQZHTI-MRXNPFEDSA-N 1 1 275.396 3.177 20 30 CGEDMO C#CC[N@@H+](CC1CC1)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001325513149 934917126 /nfs/dbraw/zinc/91/71/26/934917126.db2.gz PVWHAIFCYBZBDX-GFCCVEGCSA-N 1 1 258.321 3.001 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC1 ZINC001325878181 934936907 /nfs/dbraw/zinc/93/69/07/934936907.db2.gz XATXKVUNTQRFLM-SJORKVTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC(C)(C)CC ZINC001325897856 934937660 /nfs/dbraw/zinc/93/76/60/934937660.db2.gz GTSXBAZRNIVMJF-HOTGVXAUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC(C)C ZINC001325920754 934939696 /nfs/dbraw/zinc/93/96/96/934939696.db2.gz MGSRJUGWTBBXII-CVEARBPZSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](CC(C)C)C(=O)OCC ZINC001473663778 937816620 /nfs/dbraw/zinc/81/66/20/937816620.db2.gz SWLGUNJYFDSBFA-QLFBSQMISA-N 1 1 265.397 3.147 20 30 CGEDMO C/C=C/C[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC001473688439 937817791 /nfs/dbraw/zinc/81/77/91/937817791.db2.gz YUDMIPXNXSTDJU-FAAWYNLUSA-N 1 1 297.402 3.175 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC)SC)CC1 ZINC001327115387 935030839 /nfs/dbraw/zinc/03/08/39/935030839.db2.gz QRNWJQNXROWQSM-LSDHHAIUSA-N 1 1 298.496 3.065 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C)CC)CC1 ZINC001327117201 935031509 /nfs/dbraw/zinc/03/15/09/935031509.db2.gz YLSWRIXHPGSCDW-JSGCOSHPSA-N 1 1 286.847 3.146 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC001327127556 935032956 /nfs/dbraw/zinc/03/29/56/935032956.db2.gz XCOCSTRVPQHLEI-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC001327156747 935038273 /nfs/dbraw/zinc/03/82/73/935038273.db2.gz MOVLTPZTQFQFMC-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)C(C)(C)CC(C)C ZINC001327277566 935050318 /nfs/dbraw/zinc/05/03/18/935050318.db2.gz SYCFPLJXSMRVKO-UHFFFAOYSA-N 1 1 282.472 3.415 20 30 CGEDMO C=CCCCC(=O)NCc1ccc2c(c1)C[N@@H+](CCC)C2 ZINC001327696265 935077922 /nfs/dbraw/zinc/07/79/22/935077922.db2.gz PBLMXSGHESPBIP-UHFFFAOYSA-N 1 1 286.419 3.385 20 30 CGEDMO C#CCCCC(=O)N[C@H]1CC[N@H+](CCCCCC)[C@H](C)C1 ZINC001328242052 935126862 /nfs/dbraw/zinc/12/68/62/935126862.db2.gz VVLJXCMSWFEWDU-SJORKVTESA-N 1 1 292.467 3.339 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1CC[N@H+](CC/C=C/CC)[C@@H](C)C1 ZINC001328240618 935127211 /nfs/dbraw/zinc/12/72/11/935127211.db2.gz PVNUPPPGJNERAE-AAAWEMBMSA-N 1 1 290.451 3.115 20 30 CGEDMO CC#CCCCC(=O)N1CCC[C@@H]1C[N@H+](C)C[C@H](C)CC ZINC001328752488 935166777 /nfs/dbraw/zinc/16/67/77/935166777.db2.gz IIJXPEQTNGPBGY-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)CCCC1CC1 ZINC001328754053 935166844 /nfs/dbraw/zinc/16/68/44/935166844.db2.gz ZIAWURWCHNPNBR-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C1(C)CC(=C)C1 ZINC001328766203 935167504 /nfs/dbraw/zinc/16/75/04/935167504.db2.gz UXZOHUSELLBUSH-INIZCTEOSA-N 1 1 290.451 3.232 20 30 CGEDMO CC(C)[N@@H+](CCc1ccccc1)Cc1ccncc1C#N ZINC001329269298 935200868 /nfs/dbraw/zinc/20/08/68/935200868.db2.gz FKJSGDCDCDQFSW-UHFFFAOYSA-N 1 1 279.387 3.406 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)C(CC)CC ZINC001329473996 935218672 /nfs/dbraw/zinc/21/86/72/935218672.db2.gz GVKXQTUANSANOO-KGLIPLIRSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)c1cc(Cl)ccc1C ZINC001329576125 935229422 /nfs/dbraw/zinc/22/94/22/935229422.db2.gz GRSCIPMFDZIDCL-ZDUSSCGKSA-N 1 1 294.826 3.275 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)c1ccc(C2CC2)cc1 ZINC001329625129 935235110 /nfs/dbraw/zinc/23/51/10/935235110.db2.gz UYKZEJNMKOIFSH-AWEZNQCLSA-N 1 1 286.419 3.190 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)C(=C)C ZINC001329937101 935256094 /nfs/dbraw/zinc/25/60/94/935256094.db2.gz LFEYAIMCWUSTEB-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC2(CN(C(=O)C=C(CC)CC)C2)C1 ZINC001330487311 935290721 /nfs/dbraw/zinc/29/07/21/935290721.db2.gz VYQLDJZUAVGVIW-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCCC[N@@H+]1CCCC2(CN(C(=O)C(C)(C)C=C)C2)C1 ZINC001330501570 935291043 /nfs/dbraw/zinc/29/10/43/935291043.db2.gz FZEZMVUSEUILNR-UHFFFAOYSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)C(C)(C)C(=C)C)CC1 ZINC001331044108 935344979 /nfs/dbraw/zinc/34/49/79/935344979.db2.gz GCUOTXJXCGQEIX-UHFFFAOYSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1nc(-c2ccccc2)c[nH]1 ZINC001331666118 935402200 /nfs/dbraw/zinc/40/22/00/935402200.db2.gz YQQWLGVMXROZJK-UHFFFAOYSA-N 1 1 255.365 3.475 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1nc(-c2ccccc2)c[nH]1 ZINC001331666118 935402202 /nfs/dbraw/zinc/40/22/02/935402202.db2.gz YQQWLGVMXROZJK-UHFFFAOYSA-N 1 1 255.365 3.475 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)[C@H]1CCC1(C)C)C(C)C ZINC001332725011 935485466 /nfs/dbraw/zinc/48/54/66/935485466.db2.gz XQZDQDJKPOLCFN-OAHLLOKOSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)C(C)(C)C2CCCC2)CC1 ZINC001333354833 935529596 /nfs/dbraw/zinc/52/95/96/935529596.db2.gz QTNGOVUOWYJGEN-UHFFFAOYSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[C@@H]([NH2+]C[C@@H]1CCCN(CC)C1)C1CC1 ZINC001334869285 936120040 /nfs/dbraw/zinc/12/00/40/936120040.db2.gz WTVTXXVVOWENJZ-GOEBONIOSA-N 1 1 250.430 3.053 20 30 CGEDMO CC[C@]1(CO)CCC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC001335837457 936163237 /nfs/dbraw/zinc/16/32/37/936163237.db2.gz BCYZEZCMLOLOQT-INIZCTEOSA-N 1 1 278.440 3.335 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@@](CO)(C(C)C)C1 ZINC001336001682 936171140 /nfs/dbraw/zinc/17/11/40/936171140.db2.gz JRRQIHNBFZNMLG-GOSISDBHSA-N 1 1 286.419 3.016 20 30 CGEDMO C#CC[N@H+](Cc1cc(C)c2ncccc2c1)CC1CC1 ZINC001337720462 936283596 /nfs/dbraw/zinc/28/35/96/936283596.db2.gz CCVUPKZILAGWCT-UHFFFAOYSA-N 1 1 264.372 3.388 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C)c(Cl)n1)C(C)(C)C ZINC001473809593 937822872 /nfs/dbraw/zinc/82/28/72/937822872.db2.gz WLQBTRBOSJUVLP-UHFFFAOYSA-N 1 1 250.773 3.277 20 30 CGEDMO C#CC[N@H+](C[C@@H](CC)OC)[C@@H]1CCCc2ccccc21 ZINC001473825712 937823331 /nfs/dbraw/zinc/82/33/31/937823331.db2.gz CUQFNATYZCSVQT-SJLPKXTDSA-N 1 1 271.404 3.424 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]2CC[C@]21CNC(=O)OC(C)(C)C ZINC001473864705 937825441 /nfs/dbraw/zinc/82/54/41/937825441.db2.gz CAXAXLBAIMWEEN-PBHICJAKSA-N 1 1 294.439 3.332 20 30 CGEDMO C=CCCC[N@H+](CC)C[C@H]1CCC[C@]2(CCOC2)O1 ZINC001473861765 937825486 /nfs/dbraw/zinc/82/54/86/937825486.db2.gz KKBQVZYCTMOZFX-HZPDHXFCSA-N 1 1 267.413 3.003 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCC[C@]23CCCOC3)cc1 ZINC001473902506 937828778 /nfs/dbraw/zinc/82/87/78/937828778.db2.gz UBVKNOUSTYBCQL-QGZVFWFLSA-N 1 1 270.376 3.093 20 30 CGEDMO C=C(Br)C[NH2+]Cc1cc(F)cc(OCC)c1 ZINC001473988230 937834253 /nfs/dbraw/zinc/83/42/53/937834253.db2.gz GMXOWYQFDIINSP-UHFFFAOYSA-N 1 1 288.160 3.223 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCN(C)CC23CCCCC3)cc1 ZINC001474326604 937852244 /nfs/dbraw/zinc/85/22/44/937852244.db2.gz ICGDLFCFWBCPND-UHFFFAOYSA-N 1 1 282.431 3.118 20 30 CGEDMO C#Cc1ccc(CN2CC[N@@H+](C)CC23CCCCC3)cc1 ZINC001474326604 937852246 /nfs/dbraw/zinc/85/22/46/937852246.db2.gz ICGDLFCFWBCPND-UHFFFAOYSA-N 1 1 282.431 3.118 20 30 CGEDMO C#Cc1ccc(CN2CC[N@H+](C)CC23CCCCC3)cc1 ZINC001474326604 937852248 /nfs/dbraw/zinc/85/22/48/937852248.db2.gz ICGDLFCFWBCPND-UHFFFAOYSA-N 1 1 282.431 3.118 20 30 CGEDMO CC(C)C[C@@H](CN1CCCC1)[NH2+]CC#Cc1ccccc1 ZINC001474538478 937865699 /nfs/dbraw/zinc/86/56/99/937865699.db2.gz UDPOTGAIPQGJFO-IBGZPJMESA-N 1 1 284.447 3.138 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)cs1)C[C@]1(C)CCCCO1 ZINC001474725544 937877041 /nfs/dbraw/zinc/87/70/41/937877041.db2.gz AQEYDGPTQDDAPL-AWEZNQCLSA-N 1 1 264.394 3.011 20 30 CGEDMO CC#CC[N@@H+](C)Cc1cc(Cl)ccc1OCC ZINC001474734422 937877893 /nfs/dbraw/zinc/87/78/93/937877893.db2.gz VTUXXCDKQJMXJT-UHFFFAOYSA-N 1 1 251.757 3.194 20 30 CGEDMO CC#CC[N@H+](C)Cc1cc(Cl)ccc1OCC ZINC001474734422 937877895 /nfs/dbraw/zinc/87/78/95/937877895.db2.gz VTUXXCDKQJMXJT-UHFFFAOYSA-N 1 1 251.757 3.194 20 30 CGEDMO CCCCCCCCNC(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC001478235193 937903611 /nfs/dbraw/zinc/90/36/11/937903611.db2.gz YNYWSJOENTURGZ-OAHLLOKOSA-N 1 1 283.460 3.130 20 30 CGEDMO CCCCCCCNC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC001478589934 937907611 /nfs/dbraw/zinc/90/76/11/937907611.db2.gz BGLZMFJUYVGIRS-INIZCTEOSA-N 1 1 295.471 3.273 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)CCCC)[C@H]1C ZINC001479698500 937924117 /nfs/dbraw/zinc/92/41/17/937924117.db2.gz IYPPBZBUAOBKBE-PMPSAXMXSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[N@@H+](CC)CCCNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001479850309 937927335 /nfs/dbraw/zinc/92/73/35/937927335.db2.gz ONSKBAJIYXJGNL-OSYLJGHBSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)C1(F)CCCCC1)C1CC1 ZINC001479878712 937928063 /nfs/dbraw/zinc/92/80/63/937928063.db2.gz IKUDEMVCQPPYJM-UHFFFAOYSA-N 1 1 296.430 3.206 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CC(C)(C)CC)C1 ZINC001479953816 937929402 /nfs/dbraw/zinc/92/94/02/937929402.db2.gz GTZQCBVLCVLEDG-HUUCEWRRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H](NC(=O)C=C2CCCCC2)C1 ZINC001479945552 937929423 /nfs/dbraw/zinc/92/94/23/937929423.db2.gz FKGIEVMUQLHVFE-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001479953810 937929863 /nfs/dbraw/zinc/92/98/63/937929863.db2.gz GMAKGZXJKFRJKO-INIZCTEOSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CCCC ZINC001480092810 937932306 /nfs/dbraw/zinc/93/23/06/937932306.db2.gz FCMRMDBQMHULPJ-YESZJQIVSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCCCC)C1 ZINC001480184312 937934026 /nfs/dbraw/zinc/93/40/26/937934026.db2.gz MQAHCVHMZUVMNT-IAGOWNOFSA-N 1 1 292.467 3.456 20 30 CGEDMO C#CCCCC(=O)NC[C@H]1CCCC[N@@H+]1CC/C=C\CC ZINC001480316138 937936085 /nfs/dbraw/zinc/93/60/85/937936085.db2.gz OITDBNUYLSFOOL-XTKXOIQPSA-N 1 1 290.451 3.117 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCCC[N@@H+]1CCCCC ZINC001480311559 937936405 /nfs/dbraw/zinc/93/64/05/937936405.db2.gz GLMKVDPQSWNEEX-OAHLLOKOSA-N 1 1 266.429 3.114 20 30 CGEDMO CC(C)C#CC(=O)NC[C@H]1CCCC[N@@H+]1CCCC(C)C ZINC001480316240 937936475 /nfs/dbraw/zinc/93/64/75/937936475.db2.gz FNRPKIMFDQUOQV-QGZVFWFLSA-N 1 1 292.467 3.053 20 30 CGEDMO CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](CC)C(C)C ZINC001480333992 937936926 /nfs/dbraw/zinc/93/69/26/937936926.db2.gz YXXQVRPAAKMREW-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCCC(=O)N[C@H](C)[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001480382530 937937751 /nfs/dbraw/zinc/93/77/51/937937751.db2.gz JYEWDFMZUWLQBH-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO CC#CCCCC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001480383009 937937823 /nfs/dbraw/zinc/93/78/23/937937823.db2.gz NSRFEESPTZMEHQ-IRXDYDNUSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CCCCCC(=O)N1CCC[C@@H]([N@H+](C)CCCCC)C1 ZINC001480725100 937942391 /nfs/dbraw/zinc/94/23/91/937942391.db2.gz NQLRIQRABAMWDB-QGZVFWFLSA-N 1 1 292.467 3.293 20 30 CGEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)CC(C)(C)C)C1 ZINC001480742905 937942972 /nfs/dbraw/zinc/94/29/72/937942972.db2.gz SAKSSQSUOJHMPN-OAHLLOKOSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)c1ccoc1C ZINC001480818543 937945201 /nfs/dbraw/zinc/94/52/01/937945201.db2.gz RSUOWPISFHXGGM-HNNXBMFYSA-N 1 1 290.407 3.139 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@]12C[C@H]1CCC2 ZINC001480828006 937945717 /nfs/dbraw/zinc/94/57/17/937945717.db2.gz ZLWJSJBDCMFXHJ-JFIYKMOQSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C1(CCF)CC1 ZINC001493118010 937947349 /nfs/dbraw/zinc/94/73/49/937947349.db2.gz PXWAAYWRNPKLRC-HUUCEWRRSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)c1cccc2cc[nH]c21 ZINC001493327985 937949833 /nfs/dbraw/zinc/94/98/33/937949833.db2.gz JLKTTZNSGFNZTD-UHFFFAOYSA-N 1 1 299.418 3.186 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)c2sccc2C)C1 ZINC001493939353 937952165 /nfs/dbraw/zinc/95/21/65/937952165.db2.gz PSAKPQVLXPLVKE-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)CC(C)(C)C)C1 ZINC001493992537 937952889 /nfs/dbraw/zinc/95/28/89/937952889.db2.gz PFGKZSKTAXXMEB-HNNXBMFYSA-N 1 1 280.456 3.217 20 30 CGEDMO CC#CCCCC(=O)NCC[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC001494042167 937953167 /nfs/dbraw/zinc/95/31/67/937953167.db2.gz KQJZJMNDOJDCFA-QGZVFWFLSA-N 1 1 292.467 3.054 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CCNC(=O)C[C@@H]2CC=CCC2)C1 ZINC001494045911 937953183 /nfs/dbraw/zinc/95/31/83/937953183.db2.gz AEYXJHBXPYFOMR-SJORKVTESA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCCC[NH+]1CC(NC(=O)c2ccc(C)cc2Cl)C1 ZINC001494453282 937954977 /nfs/dbraw/zinc/95/49/77/937954977.db2.gz WRYYXOPCIZPGLH-UHFFFAOYSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)c2sccc2C)C1 ZINC001494689025 937955624 /nfs/dbraw/zinc/95/56/24/937955624.db2.gz LMFLNIALTYVDSX-KBPBESRZSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CCC)CC(C)C ZINC001494685458 937955808 /nfs/dbraw/zinc/95/58/08/937955808.db2.gz MTKBSGYFYICBLH-IKGGRYGDSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CC2CCC2)C1 ZINC001494812074 937956176 /nfs/dbraw/zinc/95/61/76/937956176.db2.gz DPIQGIFDMQYJKH-GOEBONIOSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[N@@H+](C/C=C/c2ccccc2)C1 ZINC001494770481 937956274 /nfs/dbraw/zinc/95/62/74/937956274.db2.gz RUJXYQMRRVBEMO-VGMNTSGFSA-N 1 1 298.430 3.103 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](N(CC)C(=O)C[C@@H](CC)CCCC)C1 ZINC001494904161 937957151 /nfs/dbraw/zinc/95/71/51/937957151.db2.gz CQNGGEXXXCHOFV-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCC(=O)N1CCC2(CC[N@H+](CCC(C)C)C2)CC1 ZINC001495599121 937960005 /nfs/dbraw/zinc/96/00/05/937960005.db2.gz NCTOQROQSCOQCY-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C1CCC(C(=O)N(C)CC[N@H+](C)CCCCC)CC1 ZINC001496778669 937964390 /nfs/dbraw/zinc/96/43/90/937964390.db2.gz YKAXVVIHOOAMPL-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H](C)C[N@@H+](C)CCC(C)(C)C ZINC001498375190 937969224 /nfs/dbraw/zinc/96/92/24/937969224.db2.gz KGSGDJKQUMXHNV-WMLDXEAASA-N 1 1 282.472 3.461 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)c1cccc(C2CC2)c1 ZINC001498456868 937969949 /nfs/dbraw/zinc/96/99/49/937969949.db2.gz QGPRAGNGTHFSTN-AWEZNQCLSA-N 1 1 286.419 3.190 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC001499073173 937972632 /nfs/dbraw/zinc/97/26/32/937972632.db2.gz VJQTVGKUWQSHTG-CVEARBPZSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+](CC1CC1)C1CCN(C(=O)CCC(=C)C)CC1 ZINC001499527797 937973721 /nfs/dbraw/zinc/97/37/21/937973721.db2.gz ORVBJNHRYDNCPF-UHFFFAOYSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@@]2(CC[N@H+](CCCCC)C2)C1 ZINC001499603439 937973933 /nfs/dbraw/zinc/97/39/33/937973933.db2.gz OOWBLFXLNKWXFD-GOSISDBHSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@](C)(NC(=O)CCC2CC2)C1 ZINC001500200160 937976443 /nfs/dbraw/zinc/97/64/43/937976443.db2.gz MDTNRMTWNBSBSI-YOEHRIQHSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C)CCC)C1 ZINC001500485253 937977679 /nfs/dbraw/zinc/97/76/79/937977679.db2.gz JMMBUUIDDHALLU-RDJZCZTQSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)C[C@@H](C)CC)C[C@H]2C1 ZINC001501217399 937979266 /nfs/dbraw/zinc/97/92/66/937979266.db2.gz YWYBVIJDROTKFV-LUKYLMHMSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)[C@@H](C)C(C)(C)C ZINC001502345717 937981935 /nfs/dbraw/zinc/98/19/35/937981935.db2.gz JMVMEHYJXLMRFU-CYBMUJFWSA-N 1 1 288.863 3.201 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCN(C)C(=O)[C@@H](C)C(C)(C)C ZINC001502345717 937981936 /nfs/dbraw/zinc/98/19/36/937981936.db2.gz JMVMEHYJXLMRFU-CYBMUJFWSA-N 1 1 288.863 3.201 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)C[C@@H]1CCC[C@H]1C ZINC001502336804 937981951 /nfs/dbraw/zinc/98/19/51/937981951.db2.gz XXSCJGLQUMDFOZ-CVEARBPZSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)CCCC2CC2)C(C)(C)C1 ZINC001502831564 937983444 /nfs/dbraw/zinc/98/34/44/937983444.db2.gz CEIKPDAOGYOKLE-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](CCC)CC1(C)C ZINC001502835264 937983787 /nfs/dbraw/zinc/98/37/87/937983787.db2.gz XTYFFFOYVWMYEJ-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2(CC)CCC2)C[C@H]1C ZINC001502967025 937983919 /nfs/dbraw/zinc/98/39/19/937983919.db2.gz GVVDYSRPHZIASJ-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]1C[N@H+](C)CC/C=C\CC ZINC001505424937 937985303 /nfs/dbraw/zinc/98/53/03/937985303.db2.gz XMMIYYPASCUYHB-QKIRZYONSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)C1(C)CCCCCC1 ZINC001505433698 937985650 /nfs/dbraw/zinc/98/56/50/937985650.db2.gz CQVPRTPKGSBFGX-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C1CCCCC1 ZINC001505858349 937987461 /nfs/dbraw/zinc/98/74/61/937987461.db2.gz LMMCHGYVNKBOFD-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)CNC(=O)C(C)(C)C1CCCCC1 ZINC001506016487 937988575 /nfs/dbraw/zinc/98/85/75/937988575.db2.gz CIMLSYUEZRJNIZ-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)C1CCCC1 ZINC001506036320 937989113 /nfs/dbraw/zinc/98/91/13/937989113.db2.gz JLPZZCPKHAFVIS-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)C(C)C)C[C@H]2C1 ZINC001506852118 937991950 /nfs/dbraw/zinc/99/19/50/937991950.db2.gz AXMKZIWLKGCPST-HRCADAONSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)C2(CC=C)CCCC2)C(C)(C)C1 ZINC001506756106 937992022 /nfs/dbraw/zinc/99/20/22/937992022.db2.gz KYOLJWOVSYUTBV-OAHLLOKOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)CCC(=O)N[C@]12CCC[C@H]1[N@@H+](CC[C@@H](C)F)CC2 ZINC001507347645 937995351 /nfs/dbraw/zinc/99/53/51/937995351.db2.gz ZTBQXKKMCFZGRA-INMHGKMJSA-N 1 1 296.430 3.204 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@]12CCC[C@H]1[N@@H+](CC1CC1)CC2 ZINC001507346991 937995365 /nfs/dbraw/zinc/99/53/65/937995365.db2.gz WQEIPVSTFDTKMA-CRAIPNDOSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)[C@@H]1C[C@H]1CCC)C(C)C ZINC001507834367 937997127 /nfs/dbraw/zinc/99/71/27/937997127.db2.gz RZGLEHXOSANRSV-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC(=O)NCC1=CC[N@@H+](CC2CCCCC2)CC1 ZINC001508192230 937998518 /nfs/dbraw/zinc/99/85/18/937998518.db2.gz BRYYGOFSGWMLPM-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)C[C@@H](C)C2CC2)CC1 ZINC001508228098 937998768 /nfs/dbraw/zinc/99/87/68/937998768.db2.gz CAKJHSVQOXOFRL-OAHLLOKOSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(CC)C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC001527612301 938062590 /nfs/dbraw/zinc/06/25/90/938062590.db2.gz YNYDXHZFBJNPKM-UHFFFAOYSA-N 1 1 298.430 3.002 20 30 CGEDMO C=C(CC(C)C)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC001539285896 938123673 /nfs/dbraw/zinc/12/36/73/938123673.db2.gz XNTSFYMVYGTPIE-UHFFFAOYSA-N 1 1 288.435 3.227 20 30 CGEDMO C=C1CCC(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC001543823419 938141750 /nfs/dbraw/zinc/14/17/50/938141750.db2.gz KTTWDJDQTPNNJC-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCCCCC[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001544952855 938147936 /nfs/dbraw/zinc/14/79/36/938147936.db2.gz HZTLVNFBUWBPLA-HOTGVXAUSA-N 1 1 282.472 3.441 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)c1ccc(F)cc1Cl ZINC001556466031 938203980 /nfs/dbraw/zinc/20/39/80/938203980.db2.gz HCPJPTPYVVXSLW-UHFFFAOYSA-N 1 1 298.789 3.059 20 30 CGEDMO CC#CC[N@H+](CCC)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001559527608 938228626 /nfs/dbraw/zinc/22/86/26/938228626.db2.gz IMXIIVLIXFBWSJ-LJQANCHMSA-N 1 1 284.447 3.386 20 30 CGEDMO CC#CCN(CCC)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001559527608 938228627 /nfs/dbraw/zinc/22/86/27/938228627.db2.gz IMXIIVLIXFBWSJ-LJQANCHMSA-N 1 1 284.447 3.386 20 30 CGEDMO CC#CCN(CCC)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001559527608 938228628 /nfs/dbraw/zinc/22/86/28/938228628.db2.gz IMXIIVLIXFBWSJ-LJQANCHMSA-N 1 1 284.447 3.386 20 30 CGEDMO C=CC[N@H+](C[C@H]1CCCN1C)CC1CCCCC1 ZINC001559538335 938228749 /nfs/dbraw/zinc/22/87/49/938228749.db2.gz VMCUPZCWKJVWTC-MRXNPFEDSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CCN(C[C@H]1CCC[N@H+]1C)CC1CCCCC1 ZINC001559538335 938228750 /nfs/dbraw/zinc/22/87/50/938228750.db2.gz VMCUPZCWKJVWTC-MRXNPFEDSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CCN(C[C@H]1CCC[N@@H+]1C)CC1CCCCC1 ZINC001559538335 938228751 /nfs/dbraw/zinc/22/87/51/938228751.db2.gz VMCUPZCWKJVWTC-MRXNPFEDSA-N 1 1 250.430 3.149 20 30 CGEDMO C#CCOCC[N@H+](C)Cc1cccc(C(C)(C)C)c1 ZINC001559719741 938233447 /nfs/dbraw/zinc/23/34/47/938233447.db2.gz OOPQFIZZYLJQKZ-UHFFFAOYSA-N 1 1 259.393 3.066 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)Cc1cccc(OC)c1Cl ZINC001559797090 938236001 /nfs/dbraw/zinc/23/60/01/938236001.db2.gz GKYRSBKRXARTDV-UHFFFAOYSA-N 1 1 296.842 3.288 20 30 CGEDMO C=C(CC)C[N@H+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC001559924340 938239069 /nfs/dbraw/zinc/23/90/69/938239069.db2.gz SLOVODULHNPOFL-KBPBESRZSA-N 1 1 267.413 3.395 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](CCOc2ccccc2C#N)C1 ZINC001559983228 938240617 /nfs/dbraw/zinc/24/06/17/938240617.db2.gz KXMXYRWZOHXKKX-OAHLLOKOSA-N 1 1 270.376 3.225 20 30 CGEDMO C=CCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(C)C ZINC001560002976 938241704 /nfs/dbraw/zinc/24/17/04/938241704.db2.gz DFPAEZMAOOVUET-AWEZNQCLSA-N 1 1 282.428 3.140 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(-n3nc(C)cc3C)cc2)C1 ZINC001560135793 938244979 /nfs/dbraw/zinc/24/49/79/938244979.db2.gz BWDNTUYBVUQIIY-QGZVFWFLSA-N 1 1 293.414 3.334 20 30 CGEDMO N#Cc1cc(C[NH2+][C@H]2COc3ccc(Cl)cc32)cs1 ZINC001560392746 938256584 /nfs/dbraw/zinc/25/65/84/938256584.db2.gz ZSTYFDJSYAQUEK-ZDUSSCGKSA-N 1 1 290.775 3.496 20 30 CGEDMO Cc1ccc(C[NH2+]Cc2nc3ccccc3n2C)cc1C#N ZINC001560585732 938264140 /nfs/dbraw/zinc/26/41/40/938264140.db2.gz IMSPMSSSXMVRGG-UHFFFAOYSA-N 1 1 290.370 3.043 20 30 CGEDMO N#Cc1ccc(C2=CC[N@H+](Cc3ncccc3F)CC2)cc1 ZINC001560674495 938269366 /nfs/dbraw/zinc/26/93/66/938269366.db2.gz CKADNXAEYWWPAJ-UHFFFAOYSA-N 1 1 293.345 3.382 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3ncccc3F)CC2)cc1 ZINC001560674495 938269367 /nfs/dbraw/zinc/26/93/67/938269367.db2.gz CKADNXAEYWWPAJ-UHFFFAOYSA-N 1 1 293.345 3.382 20 30 CGEDMO C[C@H]1CCCCC[N@H+]1Cc1cc(C#N)ccc1N(C)C ZINC001560769089 938274915 /nfs/dbraw/zinc/27/49/15/938274915.db2.gz RGNXALPHOUJJLV-AWEZNQCLSA-N 1 1 271.408 3.389 20 30 CGEDMO C=CCCCC[C@@H](C)[NH2+][C@@H](CC(=C)C)C(=O)OC ZINC001560968073 938287016 /nfs/dbraw/zinc/28/70/16/938287016.db2.gz VQZBNCKAQOSGAJ-KGLIPLIRSA-N 1 1 253.386 3.219 20 30 CGEDMO C=CCCC[N@H+](CC)CCNC(=O)[C@@]1(C)CCC[C@H]1C ZINC001480998160 957701605 /nfs/dbraw/zinc/70/16/05/957701605.db2.gz JDLNEDBJXCSHRW-WBVHZDCISA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)C1(C)C(C)(C)C1(C)C ZINC001570755037 960459745 /nfs/dbraw/zinc/45/97/45/960459745.db2.gz GDBCCCXMLUBZON-AWEZNQCLSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCCC(=O)NC[C@H]1CCC[N@H+](CCC(C)C)C1 ZINC001566876732 960574160 /nfs/dbraw/zinc/57/41/60/960574160.db2.gz KATIQQVGNXFWDX-MRXNPFEDSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC[C@H]1CCCC[C@H]1NC(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC001565063630 960587890 /nfs/dbraw/zinc/58/78/90/960587890.db2.gz QREWCZQLOQOUCW-OWCLPIDISA-N 1 1 295.471 3.149 20 30 CGEDMO C=CCCCC(=O)NC[C@@H]1CCC[N@@H+]1CCC(C)(C)C ZINC001567373274 960590877 /nfs/dbraw/zinc/59/08/77/960590877.db2.gz FIUMSYGZKALKAE-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C1(C)CCC1 ZINC001565822276 960834116 /nfs/dbraw/zinc/83/41/16/960834116.db2.gz BYZCACFYPLRMJQ-HUUCEWRRSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)c2cccs2)[C@H]1CC ZINC001566004971 960873595 /nfs/dbraw/zinc/87/35/95/960873595.db2.gz DPGDXLYIKGSYKX-UONOGXRCSA-N 1 1 292.448 3.297 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)CCC)[C@H]1C ZINC001566082516 960876756 /nfs/dbraw/zinc/87/67/56/960876756.db2.gz FGMNLWXYMWUBTM-XHSDSOJGSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@H]1C[N@@H+](C)CC1CCC1 ZINC001566119427 960892831 /nfs/dbraw/zinc/89/28/31/960892831.db2.gz IQSDDIWRCOWGAH-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCCNC(=O)c1cc(C)cs1 ZINC001566549481 960954918 /nfs/dbraw/zinc/95/49/18/960954918.db2.gz WZJUVAMDJGVNHD-UHFFFAOYSA-N 1 1 294.464 3.465 20 30 CGEDMO C=C(C)C[N@@H+](CCCNC(=O)c1ccc(C)cc1)C1CC1 ZINC001566602075 960966520 /nfs/dbraw/zinc/96/65/20/960966520.db2.gz KGKZVCHQTVBZTJ-UHFFFAOYSA-N 1 1 286.419 3.155 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001566675369 960984914 /nfs/dbraw/zinc/98/49/14/960984914.db2.gz VUKNETVSYOQWBH-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCCCCCC(=O)N1CCC[C@@H](C[N@H+](C)CCC)C1 ZINC001566741886 961006708 /nfs/dbraw/zinc/00/67/08/961006708.db2.gz KNRSHAJIAOFOQN-KRWDZBQOSA-N 1 1 292.467 3.151 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](CNC(=O)CCC(=C)C)C1 ZINC001566873394 961042180 /nfs/dbraw/zinc/04/21/80/961042180.db2.gz DJDUBNPAXFNUMR-MRXNPFEDSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C)C1CCC1 ZINC001566923775 961054630 /nfs/dbraw/zinc/05/46/30/961054630.db2.gz ZIDYLSYPCRBGCZ-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C1(CCC)CC1 ZINC001566925225 961056426 /nfs/dbraw/zinc/05/64/26/961056426.db2.gz CWROQAXNGZNZNU-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H](C)CC ZINC001566920771 961064595 /nfs/dbraw/zinc/06/45/95/961064595.db2.gz ZPBHPJCJVLKRAA-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1CC(=C)C ZINC001566955347 961068083 /nfs/dbraw/zinc/06/80/83/961068083.db2.gz LJWNKTXZGHLXRU-DLBZAZTESA-N 1 1 290.451 3.374 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CC(C)(C)CC)C1 ZINC001566962821 961076537 /nfs/dbraw/zinc/07/65/37/961076537.db2.gz MCNYORAKKQZXRQ-JKSUJKDBSA-N 1 1 292.467 3.053 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC(C)(C)CC)C1 ZINC001566962820 961079493 /nfs/dbraw/zinc/07/94/93/961079493.db2.gz MCNYORAKKQZXRQ-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)/C(C)=C/CC)C1 ZINC001567188540 961129585 /nfs/dbraw/zinc/12/95/85/961129585.db2.gz PDGLDVJZCYBKDZ-WEKMIXOTSA-N 1 1 284.831 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)/C(C)=C/CC)C1 ZINC001567188540 961129592 /nfs/dbraw/zinc/12/95/92/961129592.db2.gz PDGLDVJZCYBKDZ-WEKMIXOTSA-N 1 1 284.831 3.018 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)C1CCCCC1 ZINC001567243543 961151967 /nfs/dbraw/zinc/15/19/67/961151967.db2.gz LMBJMIOTAUGCDX-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCNC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C ZINC001567291007 961257035 /nfs/dbraw/zinc/25/70/35/961257035.db2.gz BIXGSFDNHUHSLY-HZPDHXFCSA-N 1 1 292.467 3.239 20 30 CGEDMO C=CC[N@@H+](CC)CCNC(=O)C[C@H](C)CC(C)(C)C ZINC001567345010 961295500 /nfs/dbraw/zinc/29/55/00/961295500.db2.gz DSAFHQWCANDIKJ-AWEZNQCLSA-N 1 1 268.445 3.073 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](CNC(=O)c2cccc(C)c2)C1 ZINC001567389436 961307199 /nfs/dbraw/zinc/30/71/99/961307199.db2.gz QHRGHORRWPDJBV-INIZCTEOSA-N 1 1 286.419 3.013 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](CCC)CC(C)C ZINC001567386592 961310079 /nfs/dbraw/zinc/31/00/79/961310079.db2.gz JPTPHVNQOQNQQC-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CC[N@H+](C[C@@H](C)CC)C2)CCC1 ZINC001567411494 961320128 /nfs/dbraw/zinc/32/01/28/961320128.db2.gz JQHLKCXVRMUPGT-HOTGVXAUSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)C(C)(C)C(=C)C)C1 ZINC001567406762 961324264 /nfs/dbraw/zinc/32/42/64/961324264.db2.gz WFUWWKRVOCNWID-CVEARBPZSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)CC[N@@H+](CCC)CCNC(=O)c1sccc1C ZINC001567422080 961344764 /nfs/dbraw/zinc/34/47/64/961344764.db2.gz PAWKIEOKXBJCKG-UHFFFAOYSA-N 1 1 294.464 3.465 20 30 CGEDMO C=CCCC[N@@H+](CCNC(=O)[C@H]1CC12CCCC2)C1CC1 ZINC001567452087 961353798 /nfs/dbraw/zinc/35/37/98/961353798.db2.gz LNDFVTZPMJEMGD-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)[C@@H]1CCC[C@H]2C[C@H]21)C(C)C ZINC001567644986 961382979 /nfs/dbraw/zinc/38/29/79/961382979.db2.gz GFIQNQVJBGFMCM-GVDBMIGSSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(Cl)C[N@H+](CCCNC(=O)C[C@H]1C=CCC1)C(C)C ZINC001567636765 961386282 /nfs/dbraw/zinc/38/62/82/961386282.db2.gz RWFMMDVACAESLO-HNNXBMFYSA-N 1 1 298.858 3.312 20 30 CGEDMO C#CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H](CCC)C(C)C)C1 ZINC001567688168 961392365 /nfs/dbraw/zinc/39/23/65/961392365.db2.gz IXLIITYZJSBZOX-SJORKVTESA-N 1 1 292.467 3.005 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H](CCC)C(C)C)C1 ZINC001567688168 961392387 /nfs/dbraw/zinc/39/23/87/961392387.db2.gz IXLIITYZJSBZOX-SJORKVTESA-N 1 1 292.467 3.005 20 30 CGEDMO C#CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H](CCC)C(C)C)C1 ZINC001567688167 961393080 /nfs/dbraw/zinc/39/30/80/961393080.db2.gz IXLIITYZJSBZOX-IRXDYDNUSA-N 1 1 292.467 3.005 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H](CCC)C(C)C)C1 ZINC001567688167 961393099 /nfs/dbraw/zinc/39/30/99/961393099.db2.gz IXLIITYZJSBZOX-IRXDYDNUSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)[C@]2(C)C=CCC2)C1 ZINC001567706247 961404887 /nfs/dbraw/zinc/40/48/87/961404887.db2.gz WFTZRRWGZLJTBF-SJLPKXTDSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@H](C[N@H+](C)CC(C)C)C1 ZINC001567729690 961411607 /nfs/dbraw/zinc/41/16/07/961411607.db2.gz LWGNIKRWDNNGEM-OAHLLOKOSA-N 1 1 280.456 3.025 20 30 CGEDMO C=CCCC(=O)N1CCC(C[N@H+](C)[C@H](C)CCC=C)CC1 ZINC001567743962 961416950 /nfs/dbraw/zinc/41/69/50/961416950.db2.gz AJKXBKQGUPHLMY-MRXNPFEDSA-N 1 1 292.467 3.478 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)c2ccsc2)C1 ZINC001567782069 961424533 /nfs/dbraw/zinc/42/45/33/961424533.db2.gz QTUUFUQOXGPDQQ-UHFFFAOYSA-N 1 1 280.437 3.133 20 30 CGEDMO C=CCCCCC[NH+]1CC(NC(=O)c2ccccc2C)C1 ZINC001567781928 961429347 /nfs/dbraw/zinc/42/93/47/961429347.db2.gz NABAZIAKDVLSMT-UHFFFAOYSA-N 1 1 286.419 3.155 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)CC=C ZINC001567863353 961440798 /nfs/dbraw/zinc/44/07/98/961440798.db2.gz ZZLBLPGJIMQSGQ-PMPSAXMXSA-N 1 1 290.451 3.229 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@H](NC(=O)CC2CCC2)C1 ZINC001567871677 961447202 /nfs/dbraw/zinc/44/72/02/961447202.db2.gz YIKZAZWAIHDNHA-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC001567874502 961452039 /nfs/dbraw/zinc/45/20/39/961452039.db2.gz ZMTAUGQNMZOLGK-FUHWJXTLSA-N 1 1 298.430 3.221 20 30 CGEDMO C=CCCc1ccccc1NC(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001568003411 961486015 /nfs/dbraw/zinc/48/60/15/961486015.db2.gz SXNBEMIMPDKKBU-HNNXBMFYSA-N 1 1 290.382 3.178 20 30 CGEDMO C#CCCCC(=O)N(C)CC[N@@H+](C)CCC1=CCCCC1 ZINC001568481781 961595633 /nfs/dbraw/zinc/59/56/33/961595633.db2.gz YESPFWKZHZZZPY-UHFFFAOYSA-N 1 1 290.451 3.071 20 30 CGEDMO C#CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](CCC)CC1CCCC1 ZINC001569141493 961703921 /nfs/dbraw/zinc/70/39/21/961703921.db2.gz RKABADPKGZCCLF-WBVHZDCISA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC1(C(=O)N[C@H](C)C[N@@H+](C)CC=C(C)C)CCC1 ZINC001569135841 961704455 /nfs/dbraw/zinc/70/44/55/961704455.db2.gz GBQCDGFJTQDSEC-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@](C)(CC)CCC)C2)C1 ZINC001569477977 961773634 /nfs/dbraw/zinc/77/36/34/961773634.db2.gz DOURKHGRCMMWPR-MSOLQXFVSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@H+](C)Cc1ccccc1CNC(=O)C[C@@H](C)CC ZINC001570025856 961889587 /nfs/dbraw/zinc/88/95/87/961889587.db2.gz OSBWLNAPCIQXOX-HNNXBMFYSA-N 1 1 288.435 3.357 20 30 CGEDMO C#CCCCCC(=O)N[C@H]1CCC[N@H+](CCCC=C)CC1 ZINC001570175077 961910190 /nfs/dbraw/zinc/91/01/90/961910190.db2.gz OPVNWJUVTMAJJA-KRWDZBQOSA-N 1 1 290.451 3.117 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CC[C@@H](C)F)CC1 ZINC001570183457 961922956 /nfs/dbraw/zinc/92/29/56/961922956.db2.gz LDUFSCFOUONRLE-HUUCEWRRSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CC[N@H+](C)CCCN(C)C(=O)C1C[C@@H](C)C[C@H](C)C1 ZINC001570217988 961935294 /nfs/dbraw/zinc/93/52/94/961935294.db2.gz HEDRVEKDRPKBBY-GJZGRUSLSA-N 1 1 280.456 3.025 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C(C)C)C(C)(C)C1 ZINC001570393582 961955782 /nfs/dbraw/zinc/95/57/82/961955782.db2.gz LXFWJJLQEOONON-HNNXBMFYSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[N@H+](C[C@@H](F)CC)CC1(C)C ZINC001570395578 961960881 /nfs/dbraw/zinc/96/08/81/961960881.db2.gz MCTKZVOEZVBBFC-UONOGXRCSA-N 1 1 298.446 3.163 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(CC)CC)C(C)(C)C1 ZINC001570400440 961963061 /nfs/dbraw/zinc/96/30/61/961963061.db2.gz ZGGAANPKEXRRHL-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@H+](CC)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC001570504633 961980087 /nfs/dbraw/zinc/98/00/87/961980087.db2.gz NWORAHDUNFDDOP-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)/C=C(\C)CC ZINC001570530235 961983028 /nfs/dbraw/zinc/98/30/28/961983028.db2.gz HCBLEJFYWCPPGY-ASNKMWSDSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)CCCF ZINC001570539011 961984743 /nfs/dbraw/zinc/98/47/43/961984743.db2.gz WEWYBEUDYXAFCA-GJZGRUSLSA-N 1 1 284.419 3.014 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)C1CCC1 ZINC001570536743 961985651 /nfs/dbraw/zinc/98/56/51/961985651.db2.gz RNDYHMSQUDRZLX-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)CCCC1CC1 ZINC001570538809 961986756 /nfs/dbraw/zinc/98/67/56/961986756.db2.gz SRHBNXBGIVJBIS-HNNXBMFYSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CCCC1CC1 ZINC001570538809 961986765 /nfs/dbraw/zinc/98/67/65/961986765.db2.gz SRHBNXBGIVJBIS-HNNXBMFYSA-N 1 1 298.858 3.242 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)C=C1CCC1 ZINC001570527362 961992471 /nfs/dbraw/zinc/99/24/71/961992471.db2.gz GCOYZUJNPYPBIU-NVXWUHKLSA-N 1 1 290.451 3.374 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)C[C@@H](C)c1ccco1 ZINC001570748087 962068940 /nfs/dbraw/zinc/06/89/40/962068940.db2.gz ROQWVXVYEMPZNA-CABCVRRESA-N 1 1 292.423 3.176 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)CNC(=O)c1cccc(C(C)(C)C)c1 ZINC001570743813 962078446 /nfs/dbraw/zinc/07/84/46/962078446.db2.gz HIGBODQCGNDGLM-CQSZACIVSA-N 1 1 288.435 3.220 20 30 CGEDMO C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)C[C@H]1C=CCC1 ZINC001570816016 962098840 /nfs/dbraw/zinc/09/88/40/962098840.db2.gz PCOVUGOAJZZACV-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)C=C(CC)CC)CC1 ZINC001571329783 962137539 /nfs/dbraw/zinc/13/75/39/962137539.db2.gz OBXBUJAYGVLLOY-UHFFFAOYSA-N 1 1 298.858 3.408 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C=C)[C@@H]1C ZINC001571520121 962170476 /nfs/dbraw/zinc/17/04/76/962170476.db2.gz AXOGEOADXWOSII-GJZGRUSLSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CCC[N@@H+](CCC(=C)C)[C@H]1C ZINC001571522749 962170696 /nfs/dbraw/zinc/17/06/96/962170696.db2.gz JKYPSUYXJUJKFT-HOTGVXAUSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@]12CCC[C@H]1[N@@H+](CC=C)CC2 ZINC001571500730 962172457 /nfs/dbraw/zinc/17/24/57/962172457.db2.gz HMVGXRJNRCXFBT-SJLPKXTDSA-N 1 1 288.435 3.054 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)[C@@H]1C[C@@]1(C)C(C)C)C(C)C ZINC001571615317 962190034 /nfs/dbraw/zinc/19/00/34/962190034.db2.gz NFJBCHWGQNOBIU-RDJZCZTQSA-N 1 1 280.456 3.023 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CNC(=O)C2(C)CC(=C)C2)CC1 ZINC001571694528 962214040 /nfs/dbraw/zinc/21/40/40/962214040.db2.gz MDACAIDNIBKDMB-UHFFFAOYSA-N 1 1 288.435 3.057 20 30 CGEDMO C=CC1(CC(=O)N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)CCCCC1 ZINC001583881728 962857207 /nfs/dbraw/zinc/85/72/07/962857207.db2.gz XSTLDKJPFVDGHO-HOTGVXAUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C1CCC(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001584065009 962884912 /nfs/dbraw/zinc/88/49/12/962884912.db2.gz LBZMHGJVUNCMEP-QGZVFWFLSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C1CCC(C(=O)NCC[N@@H+]2CCCC[C@H]2CC)CC1 ZINC001585717295 963040408 /nfs/dbraw/zinc/04/04/08/963040408.db2.gz RVZHBMDFIMAFCS-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(Cl)c1)[C@H](C)COC ZINC000621317487 349495009 /nfs/dbraw/zinc/49/50/09/349495009.db2.gz GLBWKHAZPQCOGO-GFCCVEGCSA-N 1 1 253.773 3.363 20 30 CGEDMO CCO[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2C)C[C@H]1C ZINC000590756876 346872672 /nfs/dbraw/zinc/87/26/72/346872672.db2.gz DLFHQFCWEWWNBX-PBHICJAKSA-N 1 1 272.392 3.114 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](N(C)Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000590765832 346873214 /nfs/dbraw/zinc/87/32/14/346873214.db2.gz LHMCMFWZWBXRHU-SFHVURJKSA-N 1 1 299.462 3.402 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2C[C@@H]3C[C@H]2CS3)cc1 ZINC000590972620 346892398 /nfs/dbraw/zinc/89/23/98/346892398.db2.gz AVTPGIMGPJCQBP-GJZGRUSLSA-N 1 1 272.417 3.177 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1ccn(C)n1 ZINC000590972488 346892439 /nfs/dbraw/zinc/89/24/39/346892439.db2.gz AIIQMFFKLRPSGH-CYBMUJFWSA-N 1 1 282.391 3.072 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CC[C@@H](C3CCC3)C2)cc1 ZINC000591063428 346898384 /nfs/dbraw/zinc/89/83/84/346898384.db2.gz ZFTMBKQURQNXGH-QGZVFWFLSA-N 1 1 254.377 3.375 20 30 CGEDMO COc1ccc([C@@H](C)[N@@H+](C)Cc2ccc(C#N)o2)cc1 ZINC000125809961 187200730 /nfs/dbraw/zinc/20/07/30/187200730.db2.gz CRFILBDQZBYAFQ-GFCCVEGCSA-N 1 1 270.332 3.353 20 30 CGEDMO Cc1noc([C@H]2CCC[N@@H+]2CCC2(C#N)CCCCC2)n1 ZINC000591037327 346895913 /nfs/dbraw/zinc/89/59/13/346895913.db2.gz KBOXMBHFDXETLB-CQSZACIVSA-N 1 1 288.395 3.379 20 30 CGEDMO Cc1noc([C@H]2CCC[N@H+]2CCC2(C#N)CCCCC2)n1 ZINC000591037327 346895916 /nfs/dbraw/zinc/89/59/16/346895916.db2.gz KBOXMBHFDXETLB-CQSZACIVSA-N 1 1 288.395 3.379 20 30 CGEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CC[C@H](C3CCC3)C2)c1 ZINC000591062082 346898036 /nfs/dbraw/zinc/89/80/36/346898036.db2.gz UYOHXCUEWFOTQD-INIZCTEOSA-N 1 1 297.402 3.009 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H](C[NH3+])C1CCCCC1 ZINC000591576963 346929403 /nfs/dbraw/zinc/92/94/03/346929403.db2.gz MNYAQTAVLGIYDZ-OALUTQOASA-N 1 1 297.446 3.433 20 30 CGEDMO CCCC[C@@H](CN)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000591577754 346930130 /nfs/dbraw/zinc/93/01/30/346930130.db2.gz LQFJJYSXPAYECX-RDJZCZTQSA-N 1 1 271.408 3.043 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000591758837 346934759 /nfs/dbraw/zinc/93/47/59/346934759.db2.gz MWXCMSUWTMKECV-SWLSCSKDSA-N 1 1 287.338 3.073 20 30 CGEDMO Cc1[nH]c2nc[nH+]c(NCC(C)(C)CCC#N)c2c1C ZINC000591943548 346949285 /nfs/dbraw/zinc/94/92/85/346949285.db2.gz JVRYRMVXKNNAHP-UHFFFAOYSA-N 1 1 271.368 3.317 20 30 CGEDMO CC[N@H+](Cc1ccccc1C)Cc1ccncc1C#N ZINC000592056207 346958041 /nfs/dbraw/zinc/95/80/41/346958041.db2.gz YRVPRYDKPKNXBS-UHFFFAOYSA-N 1 1 265.360 3.284 20 30 CGEDMO CC[N@@H+](Cc1ccccc1C)Cc1ccncc1C#N ZINC000592056207 346958043 /nfs/dbraw/zinc/95/80/43/346958043.db2.gz YRVPRYDKPKNXBS-UHFFFAOYSA-N 1 1 265.360 3.284 20 30 CGEDMO C=CC[N@@H+](CCC[C@@H]1CCOC1)Cc1cccc(C#N)c1 ZINC000592065367 346959420 /nfs/dbraw/zinc/95/94/20/346959420.db2.gz SWYRPNOMBZIQHT-MRXNPFEDSA-N 1 1 284.403 3.363 20 30 CGEDMO CCC(CC)C[N@H+](CCC#N)CCC[C@H]1CCOC1 ZINC000592072159 346960433 /nfs/dbraw/zinc/96/04/33/346960433.db2.gz XUJVUQXMLRLSSG-INIZCTEOSA-N 1 1 266.429 3.455 20 30 CGEDMO N#Cc1cnccc1C[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000592144364 346966861 /nfs/dbraw/zinc/96/68/61/346966861.db2.gz HPLXAWANXHROTP-UHFFFAOYSA-N 1 1 281.334 3.261 20 30 CGEDMO CC(C)[N@@H+](Cc1ccncc1C#N)C1CC(C)(C)C1 ZINC000592124656 346964739 /nfs/dbraw/zinc/96/47/39/346964739.db2.gz IKRHHYXZURPEEY-UHFFFAOYSA-N 1 1 257.381 3.352 20 30 CGEDMO CC(C)O[C@@H]1CC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000592134069 346965633 /nfs/dbraw/zinc/96/56/33/346965633.db2.gz IUPMOEFYBKHRFI-XJKSGUPXSA-N 1 1 258.365 3.119 20 30 CGEDMO Cc1ccc(NC(=O)C[NH+]2CCC(CCC#N)CC2)cc1C ZINC000592135541 346965912 /nfs/dbraw/zinc/96/59/12/346965912.db2.gz YPMNWLSWANHMOF-UHFFFAOYSA-N 1 1 299.418 3.258 20 30 CGEDMO Cc1cc(C[N@@H+]2C[C@H](C)OC3(CCCC3)C2)ccc1C#N ZINC000592192032 346970086 /nfs/dbraw/zinc/97/00/86/346970086.db2.gz FXCFJUSLYNINEL-HNNXBMFYSA-N 1 1 284.403 3.400 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC2(CCCC2)O1 ZINC000592186587 346970524 /nfs/dbraw/zinc/97/05/24/346970524.db2.gz DMIVYDBVVKWTKN-CQSZACIVSA-N 1 1 270.376 3.092 20 30 CGEDMO C[C@H]1CC2(C[N@H+]1CCCC(C)(C)C#N)CCOCC2 ZINC000592182718 346970625 /nfs/dbraw/zinc/97/06/25/346970625.db2.gz QIGVWSYYKGOVFN-AWEZNQCLSA-N 1 1 264.413 3.207 20 30 CGEDMO CC(C)C[C@H]1CCCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000592500502 346993553 /nfs/dbraw/zinc/99/35/53/346993553.db2.gz ZSORGJWRMAMHBX-MRXNPFEDSA-N 1 1 297.406 3.002 20 30 CGEDMO Cc1ccc(C[N@H+](Cc2ccc(C#N)o2)CC2CC2)cn1 ZINC000592525949 346996822 /nfs/dbraw/zinc/99/68/22/346996822.db2.gz PAMCERRAKTXHHR-UHFFFAOYSA-N 1 1 281.359 3.267 20 30 CGEDMO CC[N@H+](Cc1ccc(Cl)cc1C#N)[C@H]1CCCOC1 ZINC000593068617 347035392 /nfs/dbraw/zinc/03/53/92/347035392.db2.gz DXHHIOPWFGSMPH-HNNXBMFYSA-N 1 1 278.783 3.213 20 30 CGEDMO CC[N@@H+](Cc1ccc(Cl)cc1C#N)[C@H]1CCCOC1 ZINC000593068617 347035396 /nfs/dbraw/zinc/03/53/96/347035396.db2.gz DXHHIOPWFGSMPH-HNNXBMFYSA-N 1 1 278.783 3.213 20 30 CGEDMO CC(C)O[C@@H]1CCC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000593055850 347033906 /nfs/dbraw/zinc/03/39/06/347033906.db2.gz SATNQRXIDIGXDD-MRXNPFEDSA-N 1 1 297.402 3.200 20 30 CGEDMO CC(C)O[C@@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000593055850 347033908 /nfs/dbraw/zinc/03/39/08/347033908.db2.gz SATNQRXIDIGXDD-MRXNPFEDSA-N 1 1 297.402 3.200 20 30 CGEDMO CC(C)[N@@H+](CCCOc1cccc(C#N)c1)CC1CC1 ZINC000042582922 344985296 /nfs/dbraw/zinc/98/52/96/344985296.db2.gz DHFAIGQVXIEEQU-UHFFFAOYSA-N 1 1 272.392 3.448 20 30 CGEDMO Cc1noc(C)c1CC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000339646589 282381093 /nfs/dbraw/zinc/38/10/93/282381093.db2.gz OWDZCROSEGPINC-UHFFFAOYSA-N 1 1 295.386 3.370 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1F ZINC000046529126 345040908 /nfs/dbraw/zinc/04/09/08/345040908.db2.gz RNUKCLFFJCICFH-UHFFFAOYSA-N 1 1 279.318 3.201 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C#N)cc1F ZINC000046529126 345040910 /nfs/dbraw/zinc/04/09/10/345040910.db2.gz RNUKCLFFJCICFH-UHFFFAOYSA-N 1 1 279.318 3.201 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1cc(Br)cs1 ZINC000054183330 345130457 /nfs/dbraw/zinc/13/04/57/345130457.db2.gz BWOZJYPYDRMDSR-SECBINFHSA-N 1 1 273.199 3.292 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000067202354 345316605 /nfs/dbraw/zinc/31/66/05/345316605.db2.gz MDKKMMSZYHTATJ-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C[C@@H]1c2ccsc2CC[N@@H+]1CCCSCC#N ZINC000074981047 345489101 /nfs/dbraw/zinc/48/91/01/345489101.db2.gz ITVSUTLGZWAUEQ-LLVKDONJSA-N 1 1 266.435 3.314 20 30 CGEDMO CC[C@H]1C[C@H](C)C[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000075022262 345490887 /nfs/dbraw/zinc/49/08/87/345490887.db2.gz BKSILEXXOPUPIT-ZFWWWQNUSA-N 1 1 288.391 3.066 20 30 CGEDMO CCOCCC[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000076153429 345535665 /nfs/dbraw/zinc/53/56/65/345535665.db2.gz FZGARYRCCFDXGL-IRXDYDNUSA-N 1 1 272.392 3.185 20 30 CGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H]1C(C)C ZINC000077270954 345565216 /nfs/dbraw/zinc/56/52/16/345565216.db2.gz UGECYJPJNVDCQZ-OAHLLOKOSA-N 1 1 288.391 3.066 20 30 CGEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCCC1(C)C ZINC000077483663 345574576 /nfs/dbraw/zinc/57/45/76/345574576.db2.gz CNNHFJCKMATDDO-MRXNPFEDSA-N 1 1 289.419 3.029 20 30 CGEDMO CCC[N@@H+](C)C[C@@H]1CCN(c2ccc(Cl)cc2C#N)C1 ZINC000078563062 345613399 /nfs/dbraw/zinc/61/33/99/345613399.db2.gz JDTBCMWGYUSGHQ-ZDUSSCGKSA-N 1 1 291.826 3.380 20 30 CGEDMO CCC[N@@H+](C)C[C@H]1CCN(c2ccc(C#N)c(Cl)c2)C1 ZINC000078563046 345613571 /nfs/dbraw/zinc/61/35/71/345613571.db2.gz ILFGHWUALPNKNC-CYBMUJFWSA-N 1 1 291.826 3.380 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000080974160 345693536 /nfs/dbraw/zinc/69/35/36/345693536.db2.gz YULJIZGPYWYBFV-CJNGLKHVSA-N 1 1 280.375 3.222 20 30 CGEDMO CC[N@@H+](CCC(C)(C)O)[C@@H](C)c1ccc(C#N)cc1 ZINC000081666113 345717392 /nfs/dbraw/zinc/71/73/92/345717392.db2.gz SPEADCQAMQHELU-ZDUSSCGKSA-N 1 1 260.381 3.102 20 30 CGEDMO CCC[N@H+]1CC[C@@H](CNc2cc(C#N)c3ccccc3n2)C1 ZINC000091457559 345815203 /nfs/dbraw/zinc/81/52/03/345815203.db2.gz WRCFRQDVFVREBC-AWEZNQCLSA-N 1 1 294.402 3.250 20 30 CGEDMO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1c(C)noc1C ZINC000130356465 346056929 /nfs/dbraw/zinc/05/69/29/346056929.db2.gz LODWEDZUMWHQQZ-JTQLQIEISA-N 1 1 285.347 3.023 20 30 CGEDMO C=CCCCCC[N@H+](C)CC(=O)NCc1cccs1 ZINC000150884092 346134283 /nfs/dbraw/zinc/13/42/83/346134283.db2.gz BDJZEAMXVAPTKU-UHFFFAOYSA-N 1 1 280.437 3.043 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCc2sccc2C1 ZINC000165430053 346183726 /nfs/dbraw/zinc/18/37/26/346183726.db2.gz VBICGGHGCPOXLR-UHFFFAOYSA-N 1 1 268.385 3.487 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000165485526 346185050 /nfs/dbraw/zinc/18/50/50/346185050.db2.gz HNWCNVMNQCZCRN-BETUJISGSA-N 1 1 260.406 3.193 20 30 CGEDMO CC(=O)Nc1cccc2c1CC[N@@H+](CC(C)(C)CCC#N)C2 ZINC000179532655 346253292 /nfs/dbraw/zinc/25/32/92/346253292.db2.gz CJVNOAZDYXMMMV-UHFFFAOYSA-N 1 1 299.418 3.333 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000193346821 346269424 /nfs/dbraw/zinc/26/94/24/346269424.db2.gz SNMIVTFPOUBXDB-MRXNPFEDSA-N 1 1 290.407 3.107 20 30 CGEDMO C#CCOc1ccc(C[NH2+][C@@H](C)c2csc(C)n2)cc1 ZINC000264950997 346405920 /nfs/dbraw/zinc/40/59/20/346405920.db2.gz KSYRLXQLIFBMLM-LBPRGKRZSA-N 1 1 286.400 3.314 20 30 CGEDMO N#CCC1(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)CC1 ZINC000253101538 346393249 /nfs/dbraw/zinc/39/32/49/346393249.db2.gz XJWFTYOLEGSKHZ-ARFHVFGLSA-N 1 1 276.424 3.086 20 30 CGEDMO C=C(Cl)C[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000303976126 346448670 /nfs/dbraw/zinc/44/86/70/346448670.db2.gz BXJONAAOXDOQKE-OAHLLOKOSA-N 1 1 283.774 3.324 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]Cc1oc(C)nc1C ZINC000312639219 346477599 /nfs/dbraw/zinc/47/75/99/346477599.db2.gz PJBCOXAUNCBWKP-UHFFFAOYSA-N 1 1 272.348 3.146 20 30 CGEDMO COc1cc(C)c(C[NH2+]CC2(C#N)CCCC2)cc1OC ZINC000593652567 347099289 /nfs/dbraw/zinc/09/92/89/347099289.db2.gz CCMOGRIKUUNEFP-UHFFFAOYSA-N 1 1 288.391 3.186 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000397629996 346583507 /nfs/dbraw/zinc/58/35/07/346583507.db2.gz VESQPNXPLSRHJQ-GFCCVEGCSA-N 1 1 290.794 3.401 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000397629996 346583511 /nfs/dbraw/zinc/58/35/11/346583511.db2.gz VESQPNXPLSRHJQ-GFCCVEGCSA-N 1 1 290.794 3.401 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](CCSc2ccccc2)C1 ZINC000397792501 346584822 /nfs/dbraw/zinc/58/48/22/346584822.db2.gz ZUHLRTVRCNPSFX-AWEZNQCLSA-N 1 1 260.406 3.404 20 30 CGEDMO N#Cc1ccc(C[NH+]2CCC3(CC3(F)F)CC2)c(F)c1 ZINC000404922498 346601837 /nfs/dbraw/zinc/60/18/37/346601837.db2.gz YOKPSSXXQCSLDG-UHFFFAOYSA-N 1 1 280.293 3.319 20 30 CGEDMO C[N@@H+](CCCNC(=O)CCCCCC#N)C1CCCCC1 ZINC000588275919 346758375 /nfs/dbraw/zinc/75/83/75/346758375.db2.gz JBNHWPDKAIASMP-UHFFFAOYSA-N 1 1 293.455 3.231 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)CCc2ccc(F)cc21 ZINC000593695334 347104991 /nfs/dbraw/zinc/10/49/91/347104991.db2.gz KZXZIGFODZYNOF-GFCCVEGCSA-N 1 1 284.334 3.452 20 30 CGEDMO Cc1nc(C)c(C[NH2+][C@@H](CCC#N)c2ccccc2)o1 ZINC000589258975 346791401 /nfs/dbraw/zinc/79/14/01/346791401.db2.gz DBUINJJDVICXBR-HNNXBMFYSA-N 1 1 269.348 3.426 20 30 CGEDMO Cc1c(Br)cccc1C[NH2+][C@H](C)CC#N ZINC000594535896 347190931 /nfs/dbraw/zinc/19/09/31/347190931.db2.gz HQGKJUGOLRAYLO-SECBINFHSA-N 1 1 267.170 3.149 20 30 CGEDMO CC(C)(C#N)c1ccc(CN[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000594496068 347178285 /nfs/dbraw/zinc/17/82/85/347178285.db2.gz YUOBTXVIEWWINN-MSOLQXFVSA-N 1 1 297.446 3.204 20 30 CGEDMO CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CCN3CCCC[C@@H]23)cc1 ZINC000594496068 347178291 /nfs/dbraw/zinc/17/82/91/347178291.db2.gz YUOBTXVIEWWINN-MSOLQXFVSA-N 1 1 297.446 3.204 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@@H]2CCCn3ccnc32)cc1Cl ZINC000594505021 347180883 /nfs/dbraw/zinc/18/08/83/347180883.db2.gz YHUKDRFUIKKHTG-CQSZACIVSA-N 1 1 286.766 3.033 20 30 CGEDMO C[C@H]1C[C@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)CCN1C ZINC000594514119 347184740 /nfs/dbraw/zinc/18/47/40/347184740.db2.gz PKQNLZVNQAGDJR-WMLDXEAASA-N 1 1 285.435 3.060 20 30 CGEDMO C[C@H]1C[C@H](NCc2ccc(C(C)(C)C#N)cc2)CC[N@@H+]1C ZINC000594514119 347184741 /nfs/dbraw/zinc/18/47/41/347184741.db2.gz PKQNLZVNQAGDJR-WMLDXEAASA-N 1 1 285.435 3.060 20 30 CGEDMO C[C@H]1C[C@H](NCc2ccc(C(C)(C)C#N)cc2)CC[N@H+]1C ZINC000594514119 347184743 /nfs/dbraw/zinc/18/47/43/347184743.db2.gz PKQNLZVNQAGDJR-WMLDXEAASA-N 1 1 285.435 3.060 20 30 CGEDMO C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccn(C)n1 ZINC000594519071 347188134 /nfs/dbraw/zinc/18/81/34/347188134.db2.gz SOVQCMKEJCJSND-CYBMUJFWSA-N 1 1 280.375 3.022 20 30 CGEDMO N#Cc1cccc(C[NH2+]CC2(C#N)CCCCC2)c1 ZINC000594993244 347250975 /nfs/dbraw/zinc/25/09/75/347250975.db2.gz BZRJIOKWXBDTOG-UHFFFAOYSA-N 1 1 253.349 3.122 20 30 CGEDMO CCCC[N@H+](C)CCNCc1ccc(C2(C#N)CC2)cc1 ZINC000594923890 347231023 /nfs/dbraw/zinc/23/10/23/347231023.db2.gz JXJYSOGAFHPDAA-UHFFFAOYSA-N 1 1 285.435 3.063 20 30 CGEDMO CCCC[N@@H+](C)CCNCc1ccc(C2(C#N)CC2)cc1 ZINC000594923890 347231026 /nfs/dbraw/zinc/23/10/26/347231026.db2.gz JXJYSOGAFHPDAA-UHFFFAOYSA-N 1 1 285.435 3.063 20 30 CGEDMO CC[C@@H](C)[N@H+](C)CCNCc1ccc(C2(C#N)CC2)cc1 ZINC000594928423 347231751 /nfs/dbraw/zinc/23/17/51/347231751.db2.gz VUZGKOIODSDORJ-OAHLLOKOSA-N 1 1 285.435 3.062 20 30 CGEDMO CC[C@@H](C)[N@@H+](C)CCNCc1ccc(C2(C#N)CC2)cc1 ZINC000594928423 347231755 /nfs/dbraw/zinc/23/17/55/347231755.db2.gz VUZGKOIODSDORJ-OAHLLOKOSA-N 1 1 285.435 3.062 20 30 CGEDMO CC(=O)Nc1ccccc1C[NH2+]CC1(C#N)CCCCC1 ZINC000594980807 347247566 /nfs/dbraw/zinc/24/75/66/347247566.db2.gz BKRPCEZNTCJQQY-UHFFFAOYSA-N 1 1 285.391 3.209 20 30 CGEDMO CO[C@@H](C[N@@H+](C)Cc1cccc(C#N)c1)C1CCCC1 ZINC000595291102 347287481 /nfs/dbraw/zinc/28/74/81/347287481.db2.gz YFURJPRGRRQZJN-KRWDZBQOSA-N 1 1 272.392 3.195 20 30 CGEDMO C[C@@H]([NH2+]Cc1cc(C2CC2)no1)c1cccc(C#N)c1 ZINC000595416491 347300128 /nfs/dbraw/zinc/30/01/28/347300128.db2.gz YJAJPVXOAZQPMD-LLVKDONJSA-N 1 1 267.332 3.274 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](CCOc2cccc(Cl)c2)C1 ZINC000595609453 347325309 /nfs/dbraw/zinc/32/53/09/347325309.db2.gz JXXXQJJCABKKTD-CYBMUJFWSA-N 1 1 278.783 3.344 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](CCCCOc2ccccc2)C1 ZINC000595615683 347327573 /nfs/dbraw/zinc/32/75/73/347327573.db2.gz RRNNQGOJMGPTIO-INIZCTEOSA-N 1 1 272.392 3.471 20 30 CGEDMO Cc1ccccc1OCCC[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595615814 347327847 /nfs/dbraw/zinc/32/78/47/347327847.db2.gz UGUFYUTZQVTNJT-INIZCTEOSA-N 1 1 272.392 3.390 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000595619938 347328668 /nfs/dbraw/zinc/32/86/68/347328668.db2.gz HITYBPSKCCKBLX-KRWDZBQOSA-N 1 1 294.402 3.057 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](C[C@H]2CCc3ccccc3C2)C1 ZINC000595619574 347328734 /nfs/dbraw/zinc/32/87/34/347328734.db2.gz DKGPMZKSFVVABR-HOTGVXAUSA-N 1 1 268.404 3.417 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](C[C@H]2CCc3ccccc3C2)C1 ZINC000595619573 347328793 /nfs/dbraw/zinc/32/87/93/347328793.db2.gz DKGPMZKSFVVABR-CVEARBPZSA-N 1 1 268.404 3.417 20 30 CGEDMO COc1ccc([C@H](C)C[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595623948 347329348 /nfs/dbraw/zinc/32/93/48/347329348.db2.gz ZKUSGADEHPZLRZ-HUUCEWRRSA-N 1 1 272.392 3.424 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccn3)nc2)C1 ZINC000595623245 347329475 /nfs/dbraw/zinc/32/94/75/347329475.db2.gz KWCZQPPWSKQRSV-HNNXBMFYSA-N 1 1 292.386 3.269 20 30 CGEDMO C[C@H]1COC2(CCCC2)C[N@H+]1CCCC(C)(C)C#N ZINC000595815284 347359535 /nfs/dbraw/zinc/35/95/35/347359535.db2.gz NQQUCFQAKHJAHH-AWEZNQCLSA-N 1 1 264.413 3.350 20 30 CGEDMO CCC1(CC)CCC[N@@H+](Cc2ccncc2C#N)C1 ZINC000595753482 347350139 /nfs/dbraw/zinc/35/01/39/347350139.db2.gz VOTONJUYWWCVHK-UHFFFAOYSA-N 1 1 257.381 3.355 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H](CCF)C1 ZINC000595755893 347352040 /nfs/dbraw/zinc/35/20/40/347352040.db2.gz QUSNVCNOTUTCSN-CQSZACIVSA-N 1 1 260.356 3.438 20 30 CGEDMO C=CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)C(C)(C)C ZINC000595762838 347352541 /nfs/dbraw/zinc/35/25/41/347352541.db2.gz HPQLEBXOWTYXLI-UHFFFAOYSA-N 1 1 278.352 3.390 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c1 ZINC000595788028 347355850 /nfs/dbraw/zinc/35/58/50/347355850.db2.gz MFLLKVWAXPMAFC-MSOLQXFVSA-N 1 1 284.403 3.339 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c1 ZINC000595788030 347356094 /nfs/dbraw/zinc/35/60/94/347356094.db2.gz MFLLKVWAXPMAFC-ROUUACIJSA-N 1 1 284.403 3.339 20 30 CGEDMO C[C@@H]1COC2(CCCC2)C[N@H+]1Cc1cccc(C#N)c1 ZINC000595808222 347357488 /nfs/dbraw/zinc/35/74/88/347357488.db2.gz MTPVTAFVMYUVQD-CQSZACIVSA-N 1 1 270.376 3.092 20 30 CGEDMO CC[C@H](C)[N@@H+](CC)CCC(=O)Nc1sccc1C#N ZINC000595592583 347322798 /nfs/dbraw/zinc/32/27/98/347322798.db2.gz GDXSWWUTBVBSEG-NSHDSACASA-N 1 1 279.409 3.069 20 30 CGEDMO COc1cc(C#N)ccc1OC[C@@H]1CCCC[N@H+]1C(C)C ZINC000596240935 347402890 /nfs/dbraw/zinc/40/28/90/347402890.db2.gz HWHDUXGJFKACBB-HNNXBMFYSA-N 1 1 288.391 3.209 20 30 CGEDMO CN(c1ccccc1)[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000595825760 347360820 /nfs/dbraw/zinc/36/08/20/347360820.db2.gz GITHRZPCVPFPTA-LJQANCHMSA-N 1 1 291.398 3.269 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)cc1 ZINC000595821103 347360967 /nfs/dbraw/zinc/36/09/67/347360967.db2.gz ADBXBYHMVLTBBJ-UHFFFAOYSA-N 1 1 296.414 3.144 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)c(F)c1 ZINC000595833198 347362519 /nfs/dbraw/zinc/36/25/19/347362519.db2.gz UGMDAVNIGBTOIP-QGZVFWFLSA-N 1 1 296.345 3.351 20 30 CGEDMO CC(C)Oc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000595839987 347365125 /nfs/dbraw/zinc/36/51/25/347365125.db2.gz NGVLFUUAWYXFRZ-MRXNPFEDSA-N 1 1 258.365 3.209 20 30 CGEDMO CC(C)Oc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000595839987 347365128 /nfs/dbraw/zinc/36/51/28/347365128.db2.gz NGVLFUUAWYXFRZ-MRXNPFEDSA-N 1 1 258.365 3.209 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1ccc(C#N)cc1OC ZINC000595845948 347367246 /nfs/dbraw/zinc/36/72/46/347367246.db2.gz XSGMVAMDEHJMMO-IYBDPMFKSA-N 1 1 298.386 3.129 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C#N)ccc1OC ZINC000595845910 347367511 /nfs/dbraw/zinc/36/75/11/347367511.db2.gz WGKGULBYMBPTMM-IYBDPMFKSA-N 1 1 268.360 3.250 20 30 CGEDMO CCCCC[C@@H]1CCCC[N@H+]1CCOCCC#N ZINC000595872943 347368893 /nfs/dbraw/zinc/36/88/93/347368893.db2.gz XHSYKRVEMCQZEU-OAHLLOKOSA-N 1 1 252.402 3.351 20 30 CGEDMO N#Cc1csc(C[N@@H+](CCC2CC2)CC2CC2)n1 ZINC000595871400 347369384 /nfs/dbraw/zinc/36/93/84/347369384.db2.gz MQSXBHOLFGECBG-UHFFFAOYSA-N 1 1 261.394 3.027 20 30 CGEDMO C[N@@H+](C[C@@H]1CCc2ccccc21)[C@@H]1CC[C@@H](C#N)C1 ZINC000595878218 347369927 /nfs/dbraw/zinc/36/99/27/347369927.db2.gz MBDRMSQZBJRFAH-VNQPRFMTSA-N 1 1 254.377 3.340 20 30 CGEDMO C[C@H]1C[N@@H+](CCCC(C)(C)C#N)C[C@](C)(C(F)F)O1 ZINC000595913208 347372401 /nfs/dbraw/zinc/37/24/01/347372401.db2.gz CVSSSVHUCNMRET-SMDDNHRTSA-N 1 1 274.355 3.061 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCC(C)(C)C#N)C[C@@](C)(C(F)F)O1 ZINC000595913207 347372555 /nfs/dbraw/zinc/37/25/55/347372555.db2.gz CVSSSVHUCNMRET-RISCZKNCSA-N 1 1 274.355 3.061 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596597017 347485930 /nfs/dbraw/zinc/48/59/30/347485930.db2.gz ILRLKEIAORWDLB-ZDUSSCGKSA-N 1 1 294.402 3.427 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)cc1[N+](=O)[O-] ZINC000597174400 347544669 /nfs/dbraw/zinc/54/46/69/347544669.db2.gz PXLZSZDICJPHNX-CYBMUJFWSA-N 1 1 273.336 3.029 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cc1[N+](=O)[O-] ZINC000597174400 347544672 /nfs/dbraw/zinc/54/46/72/347544672.db2.gz PXLZSZDICJPHNX-CYBMUJFWSA-N 1 1 273.336 3.029 20 30 CGEDMO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000596977935 347523667 /nfs/dbraw/zinc/52/36/67/347523667.db2.gz QMSKVRPODQXBHT-PBHICJAKSA-N 1 1 284.403 3.241 20 30 CGEDMO CC[N@@H+](Cc1cc2ccncc2s1)C[C@@H](C)C#N ZINC000596993095 347526013 /nfs/dbraw/zinc/52/60/13/347526013.db2.gz ZGHLTIRUJAFIEE-NSHDSACASA-N 1 1 259.378 3.278 20 30 CGEDMO CC[N@H+](Cc1cc2ccncc2s1)C[C@@H](C)C#N ZINC000596993095 347526015 /nfs/dbraw/zinc/52/60/15/347526015.db2.gz ZGHLTIRUJAFIEE-NSHDSACASA-N 1 1 259.378 3.278 20 30 CGEDMO C[N@@H+](CCC1CCOCC1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597015279 347527814 /nfs/dbraw/zinc/52/78/14/347527814.db2.gz UDTNRMGFFLKGMZ-UHFFFAOYSA-N 1 1 298.430 3.490 20 30 CGEDMO C[N@@H+](CCOC(C)(C)C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597022948 347528310 /nfs/dbraw/zinc/52/83/10/347528310.db2.gz XIQVULOQYAKXKT-UHFFFAOYSA-N 1 1 286.419 3.489 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3CCCSCC3)cc2)CC1 ZINC000597081766 347533613 /nfs/dbraw/zinc/53/36/13/347533613.db2.gz RRWNLMMVHWMCCG-UHFFFAOYSA-N 1 1 272.417 3.181 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC000597176953 347545503 /nfs/dbraw/zinc/54/55/03/347545503.db2.gz KAYVWYXHRBCXPK-BQTXGFLSSA-N 1 1 258.340 3.465 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000597086525 347535563 /nfs/dbraw/zinc/53/55/63/347535563.db2.gz MRWYWYSWMRPMPZ-HNNXBMFYSA-N 1 1 253.349 3.024 20 30 CGEDMO CCC[C@]1(CO)CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597133486 347539272 /nfs/dbraw/zinc/53/92/72/347539272.db2.gz UAKGQXSVQLWUAR-SFHVURJKSA-N 1 1 298.430 3.226 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c1 ZINC000597224349 347556729 /nfs/dbraw/zinc/55/67/29/347556729.db2.gz GULABVBNWNKCOL-ZBFHGGJFSA-N 1 1 290.432 3.401 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)o1)C[C@@H]1CCc2ccccc21 ZINC000597238287 347560948 /nfs/dbraw/zinc/56/09/48/347560948.db2.gz GFNCNWKJXMYWDL-AWEZNQCLSA-N 1 1 266.344 3.313 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2ccc(C#N)c(OC)c2)C1 ZINC000597186517 347547117 /nfs/dbraw/zinc/54/71/17/347547117.db2.gz IDEFYPRUAGZSCH-AWEZNQCLSA-N 1 1 270.376 3.355 20 30 CGEDMO C[N@@H+]1CCCC[C@H](CNCc2ccc(C3(C#N)CC3)cc2)C1 ZINC000598995503 347704691 /nfs/dbraw/zinc/70/46/91/347704691.db2.gz ZOLNCTTYUWDKEK-QGZVFWFLSA-N 1 1 297.446 3.063 20 30 CGEDMO C[N@H+]1CCCC[C@H](CNCc2ccc(C3(C#N)CC3)cc2)C1 ZINC000598995503 347704695 /nfs/dbraw/zinc/70/46/95/347704695.db2.gz ZOLNCTTYUWDKEK-QGZVFWFLSA-N 1 1 297.446 3.063 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000598586786 347666907 /nfs/dbraw/zinc/66/69/07/347666907.db2.gz ZTABQEVLDGJJRV-INIZCTEOSA-N 1 1 290.382 3.091 20 30 CGEDMO CC1CCC([N@@H+](C[C@H](O)CC(C)(C)C#N)C2CC2)CC1 ZINC000598585580 347667081 /nfs/dbraw/zinc/66/70/81/347667081.db2.gz GFPARBXNHVXARQ-ZBCRRDGASA-N 1 1 278.440 3.330 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000598588599 347667842 /nfs/dbraw/zinc/66/78/42/347667842.db2.gz JQNIMVJMMUIGRD-KBPBESRZSA-N 1 1 278.421 3.186 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000598587756 347667877 /nfs/dbraw/zinc/66/78/77/347667877.db2.gz VMIRJWHGUIICRL-CVEARBPZSA-N 1 1 290.382 3.263 20 30 CGEDMO CCC[C@]1(C)CCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598594726 347668202 /nfs/dbraw/zinc/66/82/02/347668202.db2.gz ILGCTQGNKJWJGS-GOEBONIOSA-N 1 1 266.429 3.189 20 30 CGEDMO CC(C)(C)[C@@H]1CCC[N@@H+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598592969 347668408 /nfs/dbraw/zinc/66/84/08/347668408.db2.gz PGGORRCUYDMAAE-HUUCEWRRSA-N 1 1 280.456 3.435 20 30 CGEDMO CC(C)CC[C@H]1CCC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598593047 347668560 /nfs/dbraw/zinc/66/85/60/347668560.db2.gz ONGHCIPVNZIATC-CABCVRRESA-N 1 1 266.429 3.188 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CC(C)(C)[C@H]1c1ccccc1 ZINC000598598001 347669158 /nfs/dbraw/zinc/66/91/58/347669158.db2.gz LVPHVGFGRXVWFK-HZPDHXFCSA-N 1 1 286.419 3.370 20 30 CGEDMO C=CC[C@@H]1[N@@H+](C[C@H](O)CC(C)(C)C#N)CCCC1(C)C ZINC000598615389 347671376 /nfs/dbraw/zinc/67/13/76/347671376.db2.gz XYLFOIDHEWNUMR-CABCVRRESA-N 1 1 278.440 3.354 20 30 CGEDMO C[C@]12CCCC[C@H]1C[N@H+]2CCCC1(C#N)CCOCC1 ZINC000599670285 347763227 /nfs/dbraw/zinc/76/32/27/347763227.db2.gz HYTXZRCBCSIFSK-HOTGVXAUSA-N 1 1 276.424 3.351 20 30 CGEDMO Cc1cc(C[N@H+]2CCc3c(CC#N)cccc3C2)ccn1 ZINC000599677685 347763925 /nfs/dbraw/zinc/76/39/25/347763925.db2.gz JOLLOPFGRSLYGE-UHFFFAOYSA-N 1 1 277.371 3.014 20 30 CGEDMO CC[N@@H+](Cc1cnc(C)o1)[C@H](C)c1ccc(C#N)cc1 ZINC000600106449 347779534 /nfs/dbraw/zinc/77/95/34/347779534.db2.gz GKRAIYKFSDRFKT-GFCCVEGCSA-N 1 1 269.348 3.438 20 30 CGEDMO Cc1ccc(C[N@H+](C)[C@H](CO)c2ccccc2)cc1C#N ZINC000599283930 347732012 /nfs/dbraw/zinc/73/20/12/347732012.db2.gz HYBLBPNNMYJVAI-GOSISDBHSA-N 1 1 280.371 3.032 20 30 CGEDMO Cc1ccc(C[N@H+](C)[C@@H](CCO)c2ccccc2)cc1C#N ZINC000599300823 347733584 /nfs/dbraw/zinc/73/35/84/347733584.db2.gz XFRUNOLYLXQFAU-IBGZPJMESA-N 1 1 294.398 3.422 20 30 CGEDMO CC[N@@H+](CCc1nccs1)Cc1ccc(C)c(C#N)c1 ZINC000599336776 347736793 /nfs/dbraw/zinc/73/67/93/347736793.db2.gz QQNMJQFIUUKVJC-UHFFFAOYSA-N 1 1 285.416 3.388 20 30 CGEDMO CCO[C@@H](C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1)C1CC1 ZINC000599440365 347745639 /nfs/dbraw/zinc/74/56/39/347745639.db2.gz QLUVMNDFUJMGTH-GUYCJALGSA-N 1 1 272.392 3.366 20 30 CGEDMO N#CCCC[N@@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000599516134 347749793 /nfs/dbraw/zinc/74/97/93/347749793.db2.gz OCQFNCUOPGNYKT-ZDUSSCGKSA-N 1 1 264.319 3.448 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599552538 347753827 /nfs/dbraw/zinc/75/38/27/347753827.db2.gz KBGXZLQRPIRHGH-CABCVRRESA-N 1 1 258.390 3.028 20 30 CGEDMO Cc1ncc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)o1 ZINC000600178376 347789804 /nfs/dbraw/zinc/78/98/04/347789804.db2.gz WPWGNQVXDSWYHI-UHFFFAOYSA-N 1 1 267.332 3.024 20 30 CGEDMO CC1(C)C[C@H]([NH2+]Cc2ccc(C#N)o2)c2cc(N)ccc2O1 ZINC000600770388 347833212 /nfs/dbraw/zinc/83/32/12/347833212.db2.gz YCQJFHBJNODFOX-HNNXBMFYSA-N 1 1 297.358 3.125 20 30 CGEDMO N#Cc1cc(F)ccc1-c1cccc(C[NH+]2CCOCC2)c1 ZINC000600787685 347835695 /nfs/dbraw/zinc/83/56/95/347835695.db2.gz COVFFSZJJRXPKC-UHFFFAOYSA-N 1 1 296.345 3.197 20 30 CGEDMO Cc1cc(C)c(CNc2ccc(C#N)cc2)c(C)[nH+]1 ZINC000601924837 347924363 /nfs/dbraw/zinc/92/43/63/347924363.db2.gz GYLPBQJWAQQQGO-UHFFFAOYSA-N 1 1 251.333 3.491 20 30 CGEDMO COc1ccc([C@@H](C)[N@@H+](C)Cc2cccc(C#N)n2)cc1 ZINC000602433697 347957048 /nfs/dbraw/zinc/95/70/48/347957048.db2.gz AWYATHDVOXPQCC-CYBMUJFWSA-N 1 1 281.359 3.155 20 30 CGEDMO CCOc1ccc(C[N@@H+](C)C[C@@H](C)CCC#N)cc1 ZINC000602431327 347957062 /nfs/dbraw/zinc/95/70/62/347957062.db2.gz AJOWRUWVUPSBOS-AWEZNQCLSA-N 1 1 260.381 3.457 20 30 CGEDMO Cc1ccccc1C[NH+]1CCN(C[C@H](C)CCC#N)CC1 ZINC000602434831 347957106 /nfs/dbraw/zinc/95/71/06/347957106.db2.gz QPVCKECOYKHYFC-MRXNPFEDSA-N 1 1 285.435 3.053 20 30 CGEDMO Cc1cccc(C)c1NC(=O)C[N@H+](C)C[C@H](C)CCC#N ZINC000602434786 347957121 /nfs/dbraw/zinc/95/71/21/347957121.db2.gz ROLJLMURTPLCQC-CYBMUJFWSA-N 1 1 287.407 3.114 20 30 CGEDMO Cc1cccc(NC(=O)C[N@H+](C)C[C@@H](C)CCC#N)c1C ZINC000602435785 347957175 /nfs/dbraw/zinc/95/71/75/347957175.db2.gz UXZBCNASCDNPCM-ZDUSSCGKSA-N 1 1 287.407 3.114 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)Cc1ccc(F)cc1F ZINC000602436851 347957303 /nfs/dbraw/zinc/95/73/03/347957303.db2.gz RQQDJJBBTSQPCI-LLVKDONJSA-N 1 1 252.308 3.336 20 30 CGEDMO CC(C)C[N@@H+](Cc1cccc(C#N)n1)C1CCCC1 ZINC000602443342 347959073 /nfs/dbraw/zinc/95/90/73/347959073.db2.gz CRLZSGRLUXMANT-UHFFFAOYSA-N 1 1 257.381 3.354 20 30 CGEDMO N#Cc1cccc(C[NH+]2CCC(OC3CCCCC3)CC2)n1 ZINC000602455893 347960917 /nfs/dbraw/zinc/96/09/17/347960917.db2.gz ZCJSVXQYTAZFKP-UHFFFAOYSA-N 1 1 299.418 3.267 20 30 CGEDMO COc1cccc([C@@H]2C[N@H+](C[C@H](C)CCC#N)CCO2)c1 ZINC000602461946 347962265 /nfs/dbraw/zinc/96/22/65/347962265.db2.gz JEAYCRMLHGIYBN-PBHICJAKSA-N 1 1 288.391 3.008 20 30 CGEDMO COc1cccc([C@@H]2C[N@@H+](C[C@H](C)CCC#N)CCO2)c1 ZINC000602461946 347962267 /nfs/dbraw/zinc/96/22/67/347962267.db2.gz JEAYCRMLHGIYBN-PBHICJAKSA-N 1 1 288.391 3.008 20 30 CGEDMO CO[C@@](C)(C[N@@H+](CCC#N)CCC(C)C)C1CC1 ZINC000602466693 347963194 /nfs/dbraw/zinc/96/31/94/347963194.db2.gz ZUCGJSUTRBBAKC-HNNXBMFYSA-N 1 1 252.402 3.063 20 30 CGEDMO CCC[N@@H+](C[C@H](C)CCC#N)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000602471982 347963676 /nfs/dbraw/zinc/96/36/76/347963676.db2.gz MZQHEKOFIJIPBB-KLHDSHLOSA-N 1 1 278.440 3.452 20 30 CGEDMO CCc1ccc([C@H]2COCC[N@@H+]2C[C@@H](C)CCC#N)o1 ZINC000602471284 347964219 /nfs/dbraw/zinc/96/42/19/347964219.db2.gz BFNFUSWNNCURFC-DZGCQCFKSA-N 1 1 276.380 3.155 20 30 CGEDMO CCc1ccc([C@H]2COCC[N@H+]2C[C@@H](C)CCC#N)o1 ZINC000602471284 347964223 /nfs/dbraw/zinc/96/42/23/347964223.db2.gz BFNFUSWNNCURFC-DZGCQCFKSA-N 1 1 276.380 3.155 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C[C@H]1CCN(c2ccccc2)C1)C1CC1 ZINC000602481182 347966374 /nfs/dbraw/zinc/96/63/74/347966374.db2.gz ALIBOLVURVEYQR-CVEARBPZSA-N 1 1 283.419 3.137 20 30 CGEDMO CO[C@]1(C)C[C@@H]([N@@H+](C)C[C@@H](C)CCC#N)C1(C)C ZINC000602481674 347966478 /nfs/dbraw/zinc/96/64/78/347966478.db2.gz HMHXRUDQRWEIEJ-GZBFAFLISA-N 1 1 252.402 3.062 20 30 CGEDMO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1cccc(C#N)n1 ZINC000602510146 347973038 /nfs/dbraw/zinc/97/30/38/347973038.db2.gz DETPCKVWEPTWLQ-ZDUSSCGKSA-N 1 1 281.359 3.121 20 30 CGEDMO C[C@H]1C[C@H](C)CN(C(C)(C)C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602526527 347975554 /nfs/dbraw/zinc/97/55/54/347975554.db2.gz LCFATWZAMCKLHO-JUVOFCAFSA-N 1 1 291.483 3.415 20 30 CGEDMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1cccc(C#N)n1 ZINC000602596166 347991230 /nfs/dbraw/zinc/99/12/30/347991230.db2.gz ILYGMECZBWFLJW-GHMZBOCLSA-N 1 1 283.297 3.116 20 30 CGEDMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1cccc(C#N)n1 ZINC000602596166 347991233 /nfs/dbraw/zinc/99/12/33/347991233.db2.gz ILYGMECZBWFLJW-GHMZBOCLSA-N 1 1 283.297 3.116 20 30 CGEDMO C[C@@H](C#N)C[NH2+]Cc1ccc(CC(F)(F)F)cc1 ZINC000602606565 347992035 /nfs/dbraw/zinc/99/20/35/347992035.db2.gz AVZGOJOPRMVDRE-JTQLQIEISA-N 1 1 256.271 3.041 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1cc(Cl)cc(Cl)c1N ZINC000602612337 347993438 /nfs/dbraw/zinc/99/34/38/347993438.db2.gz HZQBHYUOOULFCP-UHFFFAOYSA-N 1 1 272.179 3.215 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1ccc(CC(F)(F)F)cc1 ZINC000602614297 347994849 /nfs/dbraw/zinc/99/48/49/347994849.db2.gz NXDCPBWPTZQDDM-UHFFFAOYSA-N 1 1 270.298 3.431 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000602623226 347996097 /nfs/dbraw/zinc/99/60/97/347996097.db2.gz WLVXTQMBBSKLJC-CRAIPNDOSA-N 1 1 284.403 3.448 20 30 CGEDMO CCC[C@H](C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1)OC ZINC000602691377 348009938 /nfs/dbraw/zinc/00/99/38/348009938.db2.gz DVGAQUOUJYRLBE-XJKSGUPXSA-N 1 1 260.381 3.366 20 30 CGEDMO CC(C)[C@H]1[N@@H+](C[C@@H](C)CCC#N)CC12CCOCC2 ZINC000602691874 348010611 /nfs/dbraw/zinc/01/06/11/348010611.db2.gz UYAYGGKPLZKWJV-LSDHHAIUSA-N 1 1 264.413 3.063 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC[C@H](N(C)c2ccccc2)C1 ZINC000602719232 348016410 /nfs/dbraw/zinc/01/64/10/348016410.db2.gz WMLZMPAUMJAHHW-WBVHZDCISA-N 1 1 271.408 3.137 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000602722823 348017827 /nfs/dbraw/zinc/01/78/27/348017827.db2.gz IAJDNDKVJHJGRF-KFWWJZLASA-N 1 1 294.439 3.226 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)n1)C[C@@H]1CCc2ccccc21 ZINC000602726089 348018811 /nfs/dbraw/zinc/01/88/11/348018811.db2.gz ZHYHYKFKCKXEKU-HNNXBMFYSA-N 1 1 277.371 3.115 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](O)C[C@H]2c2ccccc2)s1 ZINC000602730303 348020041 /nfs/dbraw/zinc/02/00/41/348020041.db2.gz FIRHVHAFKZILAM-PBHICJAKSA-N 1 1 298.411 3.318 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](O)C[C@H]2c2ccccc2)c1 ZINC000602733589 348021069 /nfs/dbraw/zinc/02/10/69/348021069.db2.gz WIFBYHLDWLIFFN-OALUTQOASA-N 1 1 292.382 3.256 20 30 CGEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCO[C@@H]1C ZINC000602769095 348026100 /nfs/dbraw/zinc/02/61/00/348026100.db2.gz MRSXVFOUCZJTFG-UKRRQHHQSA-N 1 1 290.363 3.008 20 30 CGEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCO[C@H]1C ZINC000602769096 348026618 /nfs/dbraw/zinc/02/66/18/348026618.db2.gz MRSXVFOUCZJTFG-ZFWWWQNUSA-N 1 1 290.363 3.008 20 30 CGEDMO C[C@H]1C[C@H](c2cccnc2)[N@@H+](CC2(CC#N)CC2)C1 ZINC000602807042 348032283 /nfs/dbraw/zinc/03/22/83/348032283.db2.gz HJXOYDFZOFKVDU-DZGCQCFKSA-N 1 1 255.365 3.158 20 30 CGEDMO N#CCC1(C[N@H+]2CC[C@H](COc3ccccc3)C2)CC1 ZINC000602806643 348032431 /nfs/dbraw/zinc/03/24/31/348032431.db2.gz NSYYPRCMLMGILT-HNNXBMFYSA-N 1 1 270.376 3.081 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1cnc(OC)c2ccccc12 ZINC000602840394 348035712 /nfs/dbraw/zinc/03/57/12/348035712.db2.gz HFFUZSSQVPQUSS-CYBMUJFWSA-N 1 1 269.348 3.025 20 30 CGEDMO CC(C)(C)OC(=O)C[C@@H]1CCCC[N@H+]1CC1(CC#N)CC1 ZINC000602868230 348038040 /nfs/dbraw/zinc/03/80/40/348038040.db2.gz UWMCHXXCBVPJGU-AWEZNQCLSA-N 1 1 292.423 3.267 20 30 CGEDMO CC(C)(C)OC(=O)C[C@H]1CCCC[N@H+]1CC1(CC#N)CC1 ZINC000602868232 348038198 /nfs/dbraw/zinc/03/81/98/348038198.db2.gz UWMCHXXCBVPJGU-CQSZACIVSA-N 1 1 292.423 3.267 20 30 CGEDMO N#CC1(CC[N@H+]2CCC[C@@H]2c2cn[nH]c2)CCCCC1 ZINC000602880982 348040161 /nfs/dbraw/zinc/04/01/61/348040161.db2.gz PJPOJTDEZYSISW-OAHLLOKOSA-N 1 1 272.396 3.411 20 30 CGEDMO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1cnc(C)s1 ZINC000602957391 348047706 /nfs/dbraw/zinc/04/77/06/348047706.db2.gz SJWSQUXGRWHOEJ-SNVBAGLBSA-N 1 1 287.388 3.183 20 30 CGEDMO C[N@@H+](CCCCC1CCOCC1)[C@@H]1CCC[C@@H]1C#N ZINC000602982565 348052612 /nfs/dbraw/zinc/05/26/12/348052612.db2.gz UVWXAUHHDASDLT-HZPDHXFCSA-N 1 1 264.413 3.207 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H](C)CC ZINC000606434332 348182327 /nfs/dbraw/zinc/18/23/27/348182327.db2.gz UTTCQNAJRJNJKE-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO CC#CC[N@@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000607728175 348258459 /nfs/dbraw/zinc/25/84/59/348258459.db2.gz NGTRLBNAYCYJQX-DLBZAZTESA-N 1 1 257.377 3.109 20 30 CGEDMO N#Cc1c(C[N@H+]2CCC[C@@H]2C2CC2)cn2ccccc12 ZINC000609133669 348336853 /nfs/dbraw/zinc/33/68/53/348336853.db2.gz QQORXRUJXGLUPH-MRXNPFEDSA-N 1 1 265.360 3.185 20 30 CGEDMO CC(C)(C)C[N@@H+](CCO)Cc1ccccc1C(C)(C)C#N ZINC000610859427 348406207 /nfs/dbraw/zinc/40/62/07/348406207.db2.gz IKUSEXZEUBDJME-UHFFFAOYSA-N 1 1 288.435 3.328 20 30 CGEDMO C[C@H](C[N@@H+](C)Cc1ccnc(C#N)c1)c1ccccc1 ZINC000610992497 348415336 /nfs/dbraw/zinc/41/53/36/348415336.db2.gz KLGSXMGDIXPWCF-CQSZACIVSA-N 1 1 265.360 3.189 20 30 CGEDMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610994981 348417127 /nfs/dbraw/zinc/41/71/27/348417127.db2.gz QFLWJMWCWZTDKM-XJKSGUPXSA-N 1 1 257.381 3.354 20 30 CGEDMO CC[N@@H+](Cc1nccc2ccccc21)C[C@@H](C)C#N ZINC000611261122 348433606 /nfs/dbraw/zinc/43/36/06/348433606.db2.gz WUHSJHUMYOXNQV-ZDUSSCGKSA-N 1 1 253.349 3.216 20 30 CGEDMO CC[N@H+](Cc1nccc2ccccc21)C[C@@H](C)C#N ZINC000611261122 348433607 /nfs/dbraw/zinc/43/36/07/348433607.db2.gz WUHSJHUMYOXNQV-ZDUSSCGKSA-N 1 1 253.349 3.216 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000611390996 348444760 /nfs/dbraw/zinc/44/47/60/348444760.db2.gz YZVQOPIMAKNVBF-KXBFYZLASA-N 1 1 295.430 3.010 20 30 CGEDMO CC[C@@H](CN[C@H]1CCCc2cc(C#N)ccc21)[NH+]1CCCC1 ZINC000611390581 348444782 /nfs/dbraw/zinc/44/47/82/348444782.db2.gz JFWZPSGUKUCRIA-HKUYNNGSSA-N 1 1 297.446 3.400 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000611394550 348446492 /nfs/dbraw/zinc/44/64/92/348446492.db2.gz POVCYHQHROMIPR-IAGOWNOFSA-N 1 1 292.386 3.326 20 30 CGEDMO C[N@@H+](C[C@H]1CCCO[C@@H]1c1ccccc1)CC1(C#N)CC1 ZINC000611429400 348451879 /nfs/dbraw/zinc/45/18/79/348451879.db2.gz LXCJWYFSMHLTKX-IAGOWNOFSA-N 1 1 284.403 3.390 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000611462612 348453468 /nfs/dbraw/zinc/45/34/68/348453468.db2.gz XPUVALVGVUFZDR-INIZCTEOSA-N 1 1 272.392 3.390 20 30 CGEDMO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1ccnc(C#N)c1 ZINC000611554377 348460711 /nfs/dbraw/zinc/46/07/11/348460711.db2.gz MXCIRWNOOCDCCO-PWSUYJOCSA-N 1 1 283.297 3.116 20 30 CGEDMO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1ccnc(C#N)c1 ZINC000611554377 348460714 /nfs/dbraw/zinc/46/07/14/348460714.db2.gz MXCIRWNOOCDCCO-PWSUYJOCSA-N 1 1 283.297 3.116 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612158085 348497724 /nfs/dbraw/zinc/49/77/24/348497724.db2.gz HKYPTLGMFGWHEK-CJNGLKHVSA-N 1 1 253.349 3.245 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612158085 348497726 /nfs/dbraw/zinc/49/77/26/348497726.db2.gz HKYPTLGMFGWHEK-CJNGLKHVSA-N 1 1 253.349 3.245 20 30 CGEDMO C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612159595 348497835 /nfs/dbraw/zinc/49/78/35/348497835.db2.gz CXFKMUYSJFXUOA-OAGGEKHMSA-N 1 1 264.413 3.207 20 30 CGEDMO C[C@@H]1CCCC[C@H]1OCC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000612159595 348497838 /nfs/dbraw/zinc/49/78/38/348497838.db2.gz CXFKMUYSJFXUOA-OAGGEKHMSA-N 1 1 264.413 3.207 20 30 CGEDMO Cc1nnc([C@@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)s1 ZINC000612829052 348549066 /nfs/dbraw/zinc/54/90/66/348549066.db2.gz JAJHEYHPHQSUTA-MEBBXXQBSA-N 1 1 298.415 3.446 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000613416487 348599167 /nfs/dbraw/zinc/59/91/67/348599167.db2.gz VLFLOISNZLSYPM-GVDBMIGSSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000613416489 348599510 /nfs/dbraw/zinc/59/95/10/348599510.db2.gz VLFLOISNZLSYPM-YESZJQIVSA-N 1 1 290.451 3.088 20 30 CGEDMO CC[C@H]([NH2+]Cc1ccccc1C#N)c1c(C)nn(C)c1C ZINC000339499859 215211234 /nfs/dbraw/zinc/21/12/34/215211234.db2.gz JDXWCZOHMOITPM-INIZCTEOSA-N 1 1 282.391 3.150 20 30 CGEDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614159836 348653528 /nfs/dbraw/zinc/65/35/28/348653528.db2.gz SJXKELGYSRKDII-WMLDXEAASA-N 1 1 286.419 3.487 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000614403117 348674171 /nfs/dbraw/zinc/67/41/71/348674171.db2.gz FFJSXFOVOVZMIX-SFHVURJKSA-N 1 1 284.403 3.115 20 30 CGEDMO CC(C)(C)OCCCC[N@H+]1CCC[C@](C)(C#N)C1 ZINC000616114062 348787494 /nfs/dbraw/zinc/78/74/94/348787494.db2.gz NFUQWYRFZGZUMV-OAHLLOKOSA-N 1 1 252.402 3.207 20 30 CGEDMO CO[C@H]1CCC[N@H+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000615446134 348740183 /nfs/dbraw/zinc/74/01/83/348740183.db2.gz LHLAPIISJTXHOF-BBRMVZONSA-N 1 1 258.365 3.120 20 30 CGEDMO CC[C@@H](N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(C#N)cc1 ZINC000618568469 349107494 /nfs/dbraw/zinc/10/74/94/349107494.db2.gz WFLNRPWLOVZDIV-QZTJIDSGSA-N 1 1 283.419 3.083 20 30 CGEDMO CC[C@@H](N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(C#N)cc1 ZINC000618568469 349107496 /nfs/dbraw/zinc/10/74/96/349107496.db2.gz WFLNRPWLOVZDIV-QZTJIDSGSA-N 1 1 283.419 3.083 20 30 CGEDMO CC[N@@H+](CCCCC(C)(C)C#N)C[C@@H]1CCOC1 ZINC000618275890 349064876 /nfs/dbraw/zinc/06/48/76/349064876.db2.gz LIZOIBFGWNTKRQ-AWEZNQCLSA-N 1 1 252.402 3.065 20 30 CGEDMO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000618741283 349151857 /nfs/dbraw/zinc/15/18/57/349151857.db2.gz DBOQHDVLBPXNRX-AWEZNQCLSA-N 1 1 299.355 3.305 20 30 CGEDMO COc1ccc(C[N@H+](Cc2ccc(C#N)cn2)C2CC2)cc1 ZINC000618903877 349177944 /nfs/dbraw/zinc/17/79/44/349177944.db2.gz WWDOOHMUCJNOMK-UHFFFAOYSA-N 1 1 293.370 3.126 20 30 CGEDMO COc1ccc(C[N@@H+](Cc2ccc(C#N)cn2)C2CC2)cc1 ZINC000618903877 349177946 /nfs/dbraw/zinc/17/79/46/349177946.db2.gz WWDOOHMUCJNOMK-UHFFFAOYSA-N 1 1 293.370 3.126 20 30 CGEDMO Cc1cc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)nn1C ZINC000619723843 349278878 /nfs/dbraw/zinc/27/88/78/349278878.db2.gz OJEPCJZZKHXIQJ-STQMWFEESA-N 1 1 268.364 3.012 20 30 CGEDMO C=CCC[N@H+](C)Cc1coc(-c2ccccc2F)n1 ZINC000625365887 350163811 /nfs/dbraw/zinc/16/38/11/350163811.db2.gz UQGYSJXOIRMCAG-UHFFFAOYSA-N 1 1 260.312 3.489 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2nc(-c3ccc(C)cc3)no2)C1 ZINC000625699261 350197445 /nfs/dbraw/zinc/19/74/45/350197445.db2.gz CBKPUFMVWAKBMR-CQSZACIVSA-N 1 1 283.375 3.443 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2c(C)nc3ccccn32)C1 ZINC000625701127 350198192 /nfs/dbraw/zinc/19/81/92/350198192.db2.gz OSZHXEYAJNVDNQ-AWEZNQCLSA-N 1 1 255.365 3.041 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2ccn(-c3ccccc3)n2)C1 ZINC000625701011 350198712 /nfs/dbraw/zinc/19/87/12/350198712.db2.gz NWAJZOQJICSXJT-OAHLLOKOSA-N 1 1 267.376 3.270 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](CCc2noc3ccccc32)C1 ZINC000625701013 350198801 /nfs/dbraw/zinc/19/88/01/350198801.db2.gz GHTFNJJHSYIRMT-ZDUSSCGKSA-N 1 1 256.349 3.268 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2F)C1 ZINC000625702358 350199627 /nfs/dbraw/zinc/19/96/27/350199627.db2.gz DQAWRHFMVHLZSH-NSHDSACASA-N 1 1 296.773 3.316 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2F)C1 ZINC000625702358 350199630 /nfs/dbraw/zinc/19/96/30/350199630.db2.gz DQAWRHFMVHLZSH-NSHDSACASA-N 1 1 296.773 3.316 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000625702192 350199887 /nfs/dbraw/zinc/19/98/87/350199887.db2.gz FAGMGLHBGQHBBR-ZDUSSCGKSA-N 1 1 276.355 3.052 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CCOCc2ccc(OC)cc2)C1 ZINC000625702291 350200145 /nfs/dbraw/zinc/20/01/45/350200145.db2.gz WVJVSXYAAJKZML-HNNXBMFYSA-N 1 1 275.392 3.110 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625804344 350215641 /nfs/dbraw/zinc/21/56/41/350215641.db2.gz XGTIXJJUTNRAFB-KBXCAEBGSA-N 1 1 298.386 3.179 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(OC)c(OC2CC2)c1 ZINC000628234621 350456190 /nfs/dbraw/zinc/45/61/90/350456190.db2.gz HKDDMYAEPKFDAQ-UHFFFAOYSA-N 1 1 261.365 3.244 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cnc3cccc(C)n23)C1 ZINC000628405990 350529333 /nfs/dbraw/zinc/52/93/33/350529333.db2.gz ZIYBPFIVVJLWPO-AWEZNQCLSA-N 1 1 255.365 3.041 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000628406885 350530838 /nfs/dbraw/zinc/53/08/38/350530838.db2.gz TUMGKRGVJRPPRE-LBPRGKRZSA-N 1 1 257.337 3.068 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CCCC[N@H+](C)C2)CCCCC1 ZINC000628751545 350599913 /nfs/dbraw/zinc/59/99/13/350599913.db2.gz TZTFKTHLNKCJPM-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CC[C@H]1CCCC[C@@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC000636156462 351726191 /nfs/dbraw/zinc/72/61/91/351726191.db2.gz RWCWXGAJWDUZPK-GJZGRUSLSA-N 1 1 289.423 3.258 20 30 CGEDMO C=CCC1(NC(=O)Cn2cc[nH+]c2C(C)C)CCCC1 ZINC000636203935 351728883 /nfs/dbraw/zinc/72/88/83/351728883.db2.gz DOBTTYAZXAHDRE-UHFFFAOYSA-N 1 1 275.396 3.012 20 30 CGEDMO COCC[C@H]1CCCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000365267597 234093207 /nfs/dbraw/zinc/09/32/07/234093207.db2.gz XZAVBSHBAFVPLM-CQSZACIVSA-N 1 1 290.382 3.336 20 30 CGEDMO CCC[N@@H+](Cc1c(C)n[nH]c1C)Cc1ccc(C#N)cc1 ZINC000119278379 370661969 /nfs/dbraw/zinc/66/19/69/370661969.db2.gz ZHKLGBWORPAABX-UHFFFAOYSA-N 1 1 282.391 3.310 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000271744073 191302045 /nfs/dbraw/zinc/30/20/45/191302045.db2.gz WZZUFCYPZKFWTG-OAHLLOKOSA-N 1 1 281.403 3.464 20 30 CGEDMO C#CCCC[N@H+]1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000271744073 191302047 /nfs/dbraw/zinc/30/20/47/191302047.db2.gz WZZUFCYPZKFWTG-OAHLLOKOSA-N 1 1 281.403 3.464 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000271744073 191302049 /nfs/dbraw/zinc/30/20/49/191302049.db2.gz WZZUFCYPZKFWTG-OAHLLOKOSA-N 1 1 281.403 3.464 20 30 CGEDMO C[C@H]1CC[C@H](C)[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000088704578 138342624 /nfs/dbraw/zinc/34/26/24/138342624.db2.gz OJCKWXHGJULAAU-KBPBESRZSA-N 1 1 285.391 3.007 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000336257009 213094025 /nfs/dbraw/zinc/09/40/25/213094025.db2.gz ZRABHQIIZXFOOK-HNNXBMFYSA-N 1 1 295.361 3.472 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000336257009 213094026 /nfs/dbraw/zinc/09/40/26/213094026.db2.gz ZRABHQIIZXFOOK-HNNXBMFYSA-N 1 1 295.361 3.472 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)CC1CCCC1 ZINC000425534910 236258059 /nfs/dbraw/zinc/25/80/59/236258059.db2.gz MNAMYOKJYZZLMN-RDTXWAMCSA-N 1 1 286.419 3.492 20 30 CGEDMO N#Cc1ccc(C[NH+]2CCC(F)(c3cccnc3)CC2)o1 ZINC000336039105 212842357 /nfs/dbraw/zinc/84/23/57/212842357.db2.gz QRILZIMTFVLIBW-UHFFFAOYSA-N 1 1 285.322 3.007 20 30 CGEDMO CO[C@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C[C@H]1C ZINC000336257828 213093924 /nfs/dbraw/zinc/09/39/24/213093924.db2.gz VAQSCZIRVJGPOJ-ABAIWWIYSA-N 1 1 278.783 3.068 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C[C@H]1C ZINC000336257828 213093926 /nfs/dbraw/zinc/09/39/26/213093926.db2.gz VAQSCZIRVJGPOJ-ABAIWWIYSA-N 1 1 278.783 3.068 20 30 CGEDMO CC(C)C[C@@H]1CCC[N@@H+](CCCSCC#N)C1 ZINC000119333385 370667205 /nfs/dbraw/zinc/66/72/05/370667205.db2.gz XJAPOUAGNPMXDU-AWEZNQCLSA-N 1 1 254.443 3.391 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000176918547 189014782 /nfs/dbraw/zinc/01/47/82/189014782.db2.gz LLVSGFBJZQSGMI-RYUDHWBXSA-N 1 1 271.813 3.389 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000176918547 189014783 /nfs/dbraw/zinc/01/47/83/189014783.db2.gz LLVSGFBJZQSGMI-RYUDHWBXSA-N 1 1 271.813 3.389 20 30 CGEDMO C=CC[NH+]1CCC(N[C@H](C)c2ccc(CC)o2)CC1 ZINC000177914317 189079200 /nfs/dbraw/zinc/07/92/00/189079200.db2.gz XUHLZNZXDGSMAT-CYBMUJFWSA-N 1 1 262.397 3.143 20 30 CGEDMO COCc1cccc(C[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000179187530 189175849 /nfs/dbraw/zinc/17/58/49/189175849.db2.gz BNCGHNNGAPCGPI-UHFFFAOYSA-N 1 1 280.371 3.337 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000179866628 189224513 /nfs/dbraw/zinc/22/45/13/189224513.db2.gz DQMIJDRLLJDDCU-CQSZACIVSA-N 1 1 294.402 3.191 20 30 CGEDMO CN(CC[C@@H]1CCCC[N@H+]1C)c1c(F)cc(C#N)cc1F ZINC000301448816 201013116 /nfs/dbraw/zinc/01/31/16/201013116.db2.gz KTJLEYVMAGELSW-ZDUSSCGKSA-N 1 1 293.361 3.147 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000119708948 370701420 /nfs/dbraw/zinc/70/14/20/370701420.db2.gz RODRBOUIGABBII-GFCCVEGCSA-N 1 1 291.420 3.070 20 30 CGEDMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)CCC(C)(C)C#N ZINC000119999555 370729972 /nfs/dbraw/zinc/72/99/72/370729972.db2.gz KBWICVHXMGKLNA-XJKSGUPXSA-N 1 1 272.392 3.250 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451416484 240295912 /nfs/dbraw/zinc/29/59/12/240295912.db2.gz GOBFBFQXKOXWGP-BNEJOLLZSA-N 1 1 284.403 3.245 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+](C)Cc1ccoc1C ZINC000120695422 370791864 /nfs/dbraw/zinc/79/18/64/370791864.db2.gz ATLQKZGWXJHERQ-UHFFFAOYSA-N 1 1 270.332 3.100 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)Cc1ccoc1C ZINC000120695422 370791871 /nfs/dbraw/zinc/79/18/71/370791871.db2.gz ATLQKZGWXJHERQ-UHFFFAOYSA-N 1 1 270.332 3.100 20 30 CGEDMO CC(C)C[N@@H+]1CCC[C@H](CNCc2cccc(C#N)c2)C1 ZINC000120768525 370798851 /nfs/dbraw/zinc/79/88/51/370798851.db2.gz FABJAYXVUDUFGW-GOSISDBHSA-N 1 1 285.435 3.016 20 30 CGEDMO CC(C)C[N@H+]1CCC[C@H](CNCc2cccc(C#N)c2)C1 ZINC000120768525 370798855 /nfs/dbraw/zinc/79/88/55/370798855.db2.gz FABJAYXVUDUFGW-GOSISDBHSA-N 1 1 285.435 3.016 20 30 CGEDMO CCC[C@H]1CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459366150 242091140 /nfs/dbraw/zinc/09/11/40/242091140.db2.gz NDYSNZUAVHQLLS-ZDUSSCGKSA-N 1 1 287.363 3.479 20 30 CGEDMO CCC[C@H]1CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459366150 242091146 /nfs/dbraw/zinc/09/11/46/242091146.db2.gz NDYSNZUAVHQLLS-ZDUSSCGKSA-N 1 1 287.363 3.479 20 30 CGEDMO CCOC[C@@H]1CCCC[N@H+]1Cc1cc(C#N)cs1 ZINC000459670956 242170671 /nfs/dbraw/zinc/17/06/71/242170671.db2.gz GFPQJYJRQPMGDO-ZDUSSCGKSA-N 1 1 264.394 3.011 20 30 CGEDMO COc1cccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)o2)c1 ZINC000124226653 370923076 /nfs/dbraw/zinc/92/30/76/370923076.db2.gz ZDLLYMCEGCSMOA-QGZVFWFLSA-N 1 1 282.343 3.497 20 30 CGEDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1cc(C#N)ccc1OC ZINC000124605781 370926118 /nfs/dbraw/zinc/92/61/18/370926118.db2.gz BLJFYIMPKRNVGC-WFASDCNBSA-N 1 1 258.365 3.330 20 30 CGEDMO CC(C)(C)[C@@H]1CCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000330620902 203049271 /nfs/dbraw/zinc/04/92/71/203049271.db2.gz LFIMGSWKBMFMDW-LBPRGKRZSA-N 1 1 291.420 3.069 20 30 CGEDMO CC(C)(C)[C@@H]1CCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000330620902 203049276 /nfs/dbraw/zinc/04/92/76/203049276.db2.gz LFIMGSWKBMFMDW-LBPRGKRZSA-N 1 1 291.420 3.069 20 30 CGEDMO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019934082 368786143 /nfs/dbraw/zinc/78/61/43/368786143.db2.gz XDNFBJSOGFMTCK-IBGZPJMESA-N 1 1 291.398 3.069 20 30 CGEDMO C[C@H]1CCC[C@H]([N@@H+](C)CC(=O)Nc2cccc(C#N)c2)C1 ZINC000026466441 368860010 /nfs/dbraw/zinc/86/00/10/368860010.db2.gz ABGYQYIXZZINBK-BBRMVZONSA-N 1 1 285.391 3.007 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)Cc1cccc(C(N)=O)c1 ZINC000029173161 368893139 /nfs/dbraw/zinc/89/31/39/368893139.db2.gz BYHRMHVRUAXBBV-UHFFFAOYSA-N 1 1 286.400 3.035 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)Cc1cccc(C(N)=O)c1 ZINC000029173161 368893144 /nfs/dbraw/zinc/89/31/44/368893144.db2.gz BYHRMHVRUAXBBV-UHFFFAOYSA-N 1 1 286.400 3.035 20 30 CGEDMO CC(C)C[N@@H+](CCC(=O)Nc1sccc1C#N)C(C)C ZINC000031582258 368915528 /nfs/dbraw/zinc/91/55/28/368915528.db2.gz MEQFXLWVOOABEW-UHFFFAOYSA-N 1 1 293.436 3.315 20 30 CGEDMO C[N@@H+](CCOc1ccccc1C#N)Cc1cccc(F)c1 ZINC000034674374 368976816 /nfs/dbraw/zinc/97/68/16/368976816.db2.gz AITZOVHJGRSNMB-UHFFFAOYSA-N 1 1 284.334 3.208 20 30 CGEDMO C=C(Cl)C[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000037900866 369123317 /nfs/dbraw/zinc/12/33/17/369123317.db2.gz LDLLJPKGVUPNFA-SNVBAGLBSA-N 1 1 252.745 3.048 20 30 CGEDMO CC[C@H]1CC[C@@H](C)[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000330670389 203100242 /nfs/dbraw/zinc/10/02/42/203100242.db2.gz ZFSZKKHZQRSTTD-YPMHNXCESA-N 1 1 291.420 3.211 20 30 CGEDMO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000537697966 376195262 /nfs/dbraw/zinc/19/52/62/376195262.db2.gz QZVJDLQVPOBQNV-SJKOYZFVSA-N 1 1 298.411 3.444 20 30 CGEDMO Cc1cccc(C[N@@H+](C)Cc2ccccc2C#N)c1 ZINC000048336942 369342716 /nfs/dbraw/zinc/34/27/16/369342716.db2.gz QKLJHYKCRJTTKJ-UHFFFAOYSA-N 1 1 250.345 3.499 20 30 CGEDMO Cc1cccc(C[N@H+](C)Cc2ccccc2C#N)c1 ZINC000048336942 369342724 /nfs/dbraw/zinc/34/27/24/369342724.db2.gz QKLJHYKCRJTTKJ-UHFFFAOYSA-N 1 1 250.345 3.499 20 30 CGEDMO C[N@@H+](CCOc1ccccc1C#N)Cc1ccccc1F ZINC000048554145 369358286 /nfs/dbraw/zinc/35/82/86/369358286.db2.gz LICLRCBTJMQCSE-UHFFFAOYSA-N 1 1 284.334 3.208 20 30 CGEDMO C[N@@H+](Cc1cn2ccccc2c1C#N)C(C1CC1)C1CC1 ZINC000050988987 369446100 /nfs/dbraw/zinc/44/61/00/369446100.db2.gz XWEYXAIYDIHSRV-UHFFFAOYSA-N 1 1 279.387 3.431 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]CC1(N(C)C)CCCC1 ZINC000061555441 369601430 /nfs/dbraw/zinc/60/14/30/369601430.db2.gz MUPUXWYUSBFNLR-UHFFFAOYSA-N 1 1 288.435 3.215 20 30 CGEDMO N#Cc1ccc(C[N@@H+](Cc2ccc(F)cn2)C2CC2)cc1 ZINC000276404707 193317376 /nfs/dbraw/zinc/31/73/76/193317376.db2.gz VFIFUQJAUKPIIH-UHFFFAOYSA-N 1 1 281.334 3.257 20 30 CGEDMO N#Cc1ccc(C[N@H+](Cc2ccc(F)cn2)C2CC2)cc1 ZINC000276404707 193317377 /nfs/dbraw/zinc/31/73/77/193317377.db2.gz VFIFUQJAUKPIIH-UHFFFAOYSA-N 1 1 281.334 3.257 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(SC)cc1 ZINC000276504940 193359908 /nfs/dbraw/zinc/35/99/08/193359908.db2.gz WQFUSKPKEMHOLJ-GFCCVEGCSA-N 1 1 278.421 3.243 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1ccc(C)cc1Cl ZINC000072553319 369824616 /nfs/dbraw/zinc/82/46/16/369824616.db2.gz WZKNTZMVTVQKTM-UHFFFAOYSA-N 1 1 280.799 3.485 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1ccc(C)cc1Cl ZINC000072553319 369824621 /nfs/dbraw/zinc/82/46/21/369824621.db2.gz WZKNTZMVTVQKTM-UHFFFAOYSA-N 1 1 280.799 3.485 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075617662 369916338 /nfs/dbraw/zinc/91/63/38/369916338.db2.gz MGFRGHLHBZZCSQ-UHFFFAOYSA-N 1 1 282.347 3.006 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075617662 369916341 /nfs/dbraw/zinc/91/63/41/369916341.db2.gz MGFRGHLHBZZCSQ-UHFFFAOYSA-N 1 1 282.347 3.006 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000076736156 369941848 /nfs/dbraw/zinc/94/18/48/369941848.db2.gz PXBLNJXXAGRJSH-QGZVFWFLSA-N 1 1 286.419 3.078 20 30 CGEDMO C[C@H]1CN(Cc2ccccc2)CCC[N@H+]1CCCCC#N ZINC000077371721 369946059 /nfs/dbraw/zinc/94/60/59/369946059.db2.gz HAAKKJAPWMZMEI-KRWDZBQOSA-N 1 1 285.435 3.277 20 30 CGEDMO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1CCCCC#N ZINC000077371721 369946064 /nfs/dbraw/zinc/94/60/64/369946064.db2.gz HAAKKJAPWMZMEI-KRWDZBQOSA-N 1 1 285.435 3.277 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1CCCCC#N ZINC000077371721 369946066 /nfs/dbraw/zinc/94/60/66/369946066.db2.gz HAAKKJAPWMZMEI-KRWDZBQOSA-N 1 1 285.435 3.277 20 30 CGEDMO CC[C@@H](C)C[N@@H+](CC)CCC(=O)Nc1cccc(C#N)c1 ZINC000093250992 370113920 /nfs/dbraw/zinc/11/39/20/370113920.db2.gz AOTMIUGICBWPGD-CQSZACIVSA-N 1 1 287.407 3.255 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000093338435 370119245 /nfs/dbraw/zinc/11/92/45/370119245.db2.gz QCWLOXDGQXTECY-UHFFFAOYSA-N 1 1 287.363 3.283 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ncccc1C(F)(F)F ZINC000093533546 370139359 /nfs/dbraw/zinc/13/93/59/370139359.db2.gz VLIAOTACABINEJ-UHFFFAOYSA-N 1 1 258.287 3.498 20 30 CGEDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000109785126 370365985 /nfs/dbraw/zinc/36/59/85/370365985.db2.gz ZBQNFERMWGIIEF-ZDUSSCGKSA-N 1 1 266.344 3.457 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](C)CCc1ccccc1 ZINC000130475379 371036525 /nfs/dbraw/zinc/03/65/25/371036525.db2.gz IDSXBTJACXNCAA-UHFFFAOYSA-N 1 1 280.371 3.241 20 30 CGEDMO C=CCc1cc(C[N@H+](CC)C2CC2)cc(OC)c1O ZINC000133304240 371242013 /nfs/dbraw/zinc/24/20/13/371242013.db2.gz WDOXGQLGDAXMFW-UHFFFAOYSA-N 1 1 261.365 3.114 20 30 CGEDMO C=CC[N@@H+](CC(=O)N[C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000537854307 376204945 /nfs/dbraw/zinc/20/49/45/376204945.db2.gz ULMLLQPXZODOLX-GFCCVEGCSA-N 1 1 292.810 3.168 20 30 CGEDMO C=CC[N@H+](CC(=O)N[C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000537854307 376204950 /nfs/dbraw/zinc/20/49/50/376204950.db2.gz ULMLLQPXZODOLX-GFCCVEGCSA-N 1 1 292.810 3.168 20 30 CGEDMO CS[C@@H]1CCCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000134574047 371351405 /nfs/dbraw/zinc/35/14/05/371351405.db2.gz YQKGMBDMNLHCGI-OAHLLOKOSA-N 1 1 260.406 3.276 20 30 CGEDMO C[C@@H]([NH2+]Cc1cn2ccsc2n1)c1ccc(C#N)cc1 ZINC000148672468 371524580 /nfs/dbraw/zinc/52/45/80/371524580.db2.gz OPFGPAXARXJKLB-LLVKDONJSA-N 1 1 282.372 3.118 20 30 CGEDMO CC(C)[N@@H+](CCOC1CCC1)Cc1ccc(C#N)cc1 ZINC000286762979 371549475 /nfs/dbraw/zinc/54/94/75/371549475.db2.gz HEAUQXGDWWKABZ-UHFFFAOYSA-N 1 1 272.392 3.338 20 30 CGEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ccnc(C#N)c2)C1 ZINC000287241404 371625987 /nfs/dbraw/zinc/62/59/87/371625987.db2.gz JNEQCRDZGDOZPE-JKSUJKDBSA-N 1 1 298.434 3.044 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000287420979 371654333 /nfs/dbraw/zinc/65/43/33/371654333.db2.gz OZWCVFWEARWTGV-CHWSQXEVSA-N 1 1 277.368 3.024 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000287420979 371654341 /nfs/dbraw/zinc/65/43/41/371654341.db2.gz OZWCVFWEARWTGV-CHWSQXEVSA-N 1 1 277.368 3.024 20 30 CGEDMO C[N@@H+]1CC[C@@H](NCC#Cc2ccccc2)[C@H]1c1ccccc1 ZINC000289355222 371755607 /nfs/dbraw/zinc/75/56/07/371755607.db2.gz HVOCYIRTXSAZAO-WOJBJXKFSA-N 1 1 290.410 3.073 20 30 CGEDMO C[N@H+]1CC[C@@H](NCC#Cc2ccccc2)[C@H]1c1ccccc1 ZINC000289355222 371755610 /nfs/dbraw/zinc/75/56/10/371755610.db2.gz HVOCYIRTXSAZAO-WOJBJXKFSA-N 1 1 290.410 3.073 20 30 CGEDMO C=C[C@@H](CO)[NH2+][C@H](C)c1cc(Cl)sc1Cl ZINC000289712854 371800341 /nfs/dbraw/zinc/80/03/41/371800341.db2.gz JFKBPOAOKOMXNI-RQJHMYQMSA-N 1 1 266.193 3.252 20 30 CGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000344043327 217025392 /nfs/dbraw/zinc/02/53/92/217025392.db2.gz XGGKJKFNJZLTDB-UONOGXRCSA-N 1 1 299.418 3.253 20 30 CGEDMO CC[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCOC(C)(C)C1 ZINC000289872980 371842969 /nfs/dbraw/zinc/84/29/69/371842969.db2.gz QXIXKPSRXZBFLS-INIZCTEOSA-N 1 1 272.392 3.338 20 30 CGEDMO C[N@H+](Cc1ccc(F)cc1C#N)C[C@H]1CC=CCC1 ZINC000344074754 217039321 /nfs/dbraw/zinc/03/93/21/217039321.db2.gz UQCAILSEVBZQNW-ZDUSSCGKSA-N 1 1 258.340 3.485 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc(CO)o1)Cc1ccc(C#N)cc1 ZINC000154377461 371840002 /nfs/dbraw/zinc/84/00/02/371840002.db2.gz QGOFXLHKJCAGBU-UHFFFAOYSA-N 1 1 284.359 3.054 20 30 CGEDMO CC1(C)C[N@H+](Cc2ccc(C#N)cc2F)[C@@H]1[C@H]1CCCO1 ZINC000289871508 371842644 /nfs/dbraw/zinc/84/26/44/371842644.db2.gz RFTZASXMPASIOX-HZPDHXFCSA-N 1 1 288.366 3.087 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2F)[C@@H]1[C@H]1CCCO1 ZINC000289871508 371842650 /nfs/dbraw/zinc/84/26/50/371842650.db2.gz RFTZASXMPASIOX-HZPDHXFCSA-N 1 1 288.366 3.087 20 30 CGEDMO C#CC[N@@H+](Cc1cnc(Cl)s1)C1CCCC1 ZINC000155751672 371943897 /nfs/dbraw/zinc/94/38/97/371943897.db2.gz RCTLFMOUEHINIY-UHFFFAOYSA-N 1 1 254.786 3.174 20 30 CGEDMO C#CC[N@H+](Cc1cnc(Cl)s1)C1CCCC1 ZINC000155751672 371943905 /nfs/dbraw/zinc/94/39/05/371943905.db2.gz RCTLFMOUEHINIY-UHFFFAOYSA-N 1 1 254.786 3.174 20 30 CGEDMO CC#CCC[N@H+](C)[C@H]1CCCc2nc(CC)sc21 ZINC000156765635 371994237 /nfs/dbraw/zinc/99/42/37/371994237.db2.gz ULEUYWWYLJVGMZ-ZDUSSCGKSA-N 1 1 262.422 3.428 20 30 CGEDMO CC#CCC[N@H+](CC)CC1CCN(c2ccccn2)CC1 ZINC000155868731 371949496 /nfs/dbraw/zinc/94/94/96/371949496.db2.gz RTDDBWOYXJNZQB-UHFFFAOYSA-N 1 1 285.435 3.033 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000157700833 372033086 /nfs/dbraw/zinc/03/30/86/372033086.db2.gz ZAGZSEVWXMRLCD-OAHLLOKOSA-N 1 1 271.408 3.268 20 30 CGEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000290653009 372034520 /nfs/dbraw/zinc/03/45/20/372034520.db2.gz ZEOHRTRICXBTPW-CQSZACIVSA-N 1 1 286.404 3.297 20 30 CGEDMO C=CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000157041164 372005084 /nfs/dbraw/zinc/00/50/84/372005084.db2.gz MKQAKXLPTSDVGM-WBVHZDCISA-N 1 1 258.409 3.157 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000157041164 372005086 /nfs/dbraw/zinc/00/50/86/372005086.db2.gz MKQAKXLPTSDVGM-WBVHZDCISA-N 1 1 258.409 3.157 20 30 CGEDMO C=CCN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157041164 372005090 /nfs/dbraw/zinc/00/50/90/372005090.db2.gz MKQAKXLPTSDVGM-WBVHZDCISA-N 1 1 258.409 3.157 20 30 CGEDMO C=CCN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000157041164 372005093 /nfs/dbraw/zinc/00/50/93/372005093.db2.gz MKQAKXLPTSDVGM-WBVHZDCISA-N 1 1 258.409 3.157 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000424619498 372088036 /nfs/dbraw/zinc/08/80/36/372088036.db2.gz BNAZUPSOVSCZFI-XHSDSOJGSA-N 1 1 292.467 3.453 20 30 CGEDMO CCCC[N@@H+](C)C[C@@H](C)Nc1c(C#N)nnc2ccccc21 ZINC000291172394 372132303 /nfs/dbraw/zinc/13/23/03/372132303.db2.gz RBIWVCTXZYKNAK-CYBMUJFWSA-N 1 1 297.406 3.034 20 30 CGEDMO C[N@@H+](CCN1CCc2ccccc21)Cc1ccc(C#N)cc1 ZINC000428462466 372212921 /nfs/dbraw/zinc/21/29/21/372212921.db2.gz UGEVGEBEWYFRLS-UHFFFAOYSA-N 1 1 291.398 3.053 20 30 CGEDMO COCC[N@@H+](Cc1cccc(F)c1C#N)[C@@H]1CC[C@H](C)C1 ZINC000428968957 372294383 /nfs/dbraw/zinc/29/43/83/372294383.db2.gz QILFCUNCAVPACO-DZGCQCFKSA-N 1 1 290.382 3.334 20 30 CGEDMO C=CC[N@@H+](CCC#N)CCCCOc1ccccc1 ZINC000428847023 372269175 /nfs/dbraw/zinc/26/91/75/372269175.db2.gz FAQRLKKJWDSMNI-UHFFFAOYSA-N 1 1 258.365 3.247 20 30 CGEDMO C=CC[N@H+](CCC#N)CCCCOc1ccccc1 ZINC000428847023 372269182 /nfs/dbraw/zinc/26/91/82/372269182.db2.gz FAQRLKKJWDSMNI-UHFFFAOYSA-N 1 1 258.365 3.247 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCOC[C@@H](C3CCC3)C2)cc1 ZINC000429008352 372303553 /nfs/dbraw/zinc/30/35/53/372303553.db2.gz NJVIVALAISEHFC-SFHVURJKSA-N 1 1 284.403 3.001 20 30 CGEDMO C[C@H]1CSCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000162911127 372432870 /nfs/dbraw/zinc/43/28/70/372432870.db2.gz BNCOXSPKAZOGBS-JTQLQIEISA-N 1 1 266.797 3.149 20 30 CGEDMO C[C@H]1CSCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000162911127 372432872 /nfs/dbraw/zinc/43/28/72/372432872.db2.gz BNCOXSPKAZOGBS-JTQLQIEISA-N 1 1 266.797 3.149 20 30 CGEDMO C=CC[NH+](CC=C)CC(=O)N[C@H](C)c1ccc(C)c(C)c1 ZINC000052869182 541876132 /nfs/dbraw/zinc/87/61/32/541876132.db2.gz MJTNFRBGTWYRAU-MRXNPFEDSA-N 1 1 286.419 3.155 20 30 CGEDMO C=CCC(C)(C)CNC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000432072491 372533236 /nfs/dbraw/zinc/53/32/36/372533236.db2.gz SLTJIKNSCVVFRJ-GJZGRUSLSA-N 1 1 295.471 3.151 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCS(=O)(=O)c1cccc(C)c1 ZINC000167747045 372602279 /nfs/dbraw/zinc/60/22/79/372602279.db2.gz OBHANUOLDVLSHR-UHFFFAOYSA-N 1 1 295.448 3.057 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433307505 372588012 /nfs/dbraw/zinc/58/80/12/372588012.db2.gz VPSSLFGXABPSTN-GDBMZVCRSA-N 1 1 279.811 3.456 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000171054950 372705471 /nfs/dbraw/zinc/70/54/71/372705471.db2.gz NUCVQLAYRMQNQF-UHFFFAOYSA-N 1 1 293.798 3.066 20 30 CGEDMO C=CCCCN(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435687998 372795324 /nfs/dbraw/zinc/79/53/24/372795324.db2.gz LAALJAOHIPQHKH-AWEZNQCLSA-N 1 1 291.464 3.053 20 30 CGEDMO CC[N@H+](CC(=O)c1cccn1C)[C@H](C)c1ccc(C#N)cc1 ZINC000171629314 372798322 /nfs/dbraw/zinc/79/83/22/372798322.db2.gz MLENRQXJCTZZBE-CQSZACIVSA-N 1 1 295.386 3.163 20 30 CGEDMO CC[N@@H+](CC(=O)c1cccn1C)[C@H](C)c1ccc(C#N)cc1 ZINC000171629314 372798326 /nfs/dbraw/zinc/79/83/26/372798326.db2.gz MLENRQXJCTZZBE-CQSZACIVSA-N 1 1 295.386 3.163 20 30 CGEDMO C[C@H](c1ccncc1)[N@@H+](C)CCOc1ccccc1C#N ZINC000171934145 372856999 /nfs/dbraw/zinc/85/69/99/372856999.db2.gz HROVLTHUWSFCHZ-CQSZACIVSA-N 1 1 281.359 3.025 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000172173560 372919437 /nfs/dbraw/zinc/91/94/37/372919437.db2.gz MSBJRMKWLYXXMI-UHFFFAOYSA-N 1 1 296.798 3.185 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCc3ncsc3C2)cc1 ZINC000438352483 372935071 /nfs/dbraw/zinc/93/50/71/372935071.db2.gz LARAGSCUOKFDJP-UHFFFAOYSA-N 1 1 286.400 3.266 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCc3ncsc3C2)cc1 ZINC000438352483 372935075 /nfs/dbraw/zinc/93/50/75/372935075.db2.gz LARAGSCUOKFDJP-UHFFFAOYSA-N 1 1 286.400 3.266 20 30 CGEDMO C=CCC(CC=C)C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000439687279 372981199 /nfs/dbraw/zinc/98/11/99/372981199.db2.gz LRYGMMZPDKVRKF-QGZVFWFLSA-N 1 1 292.467 3.382 20 30 CGEDMO CC1(C)[C@@H]2C[N@H+](CC#Cc3ccccc3Cl)C[C@@H]21 ZINC000441153909 372997398 /nfs/dbraw/zinc/99/73/98/372997398.db2.gz AFZMEUORTRPJOX-OKILXGFUSA-N 1 1 259.780 3.279 20 30 CGEDMO Clc1ccccc1C#CC[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000441148780 372998694 /nfs/dbraw/zinc/99/86/94/372998694.db2.gz APGPSYLWTOQNEQ-GASCZTMLSA-N 1 1 259.780 3.423 20 30 CGEDMO C=CCNC(=O)C[N@H+]1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000441181807 372999106 /nfs/dbraw/zinc/99/91/06/372999106.db2.gz ZAPWQQOQFVLDIZ-HHNLSAEISA-N 1 1 298.430 3.247 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)CC1(CC(=O)OC)CC1 ZINC000440519362 372987355 /nfs/dbraw/zinc/98/73/55/372987355.db2.gz UDCZORXVMAJPSP-UHFFFAOYSA-N 1 1 287.403 3.408 20 30 CGEDMO C=CC[C@H]1N(C(=O)C[N@H+](CC)C2CC2)CCCC1(C)C ZINC000443863062 373164837 /nfs/dbraw/zinc/16/48/37/373164837.db2.gz WHVIVXNKQSYPPZ-OAHLLOKOSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+](C)[C@H]1CCCC[C@@H]1CC ZINC000444663300 373224050 /nfs/dbraw/zinc/22/40/50/373224050.db2.gz KLBKCPZHVZWPMK-HOTGVXAUSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2nccc(C)n2)CCCC1(C)C ZINC000444778640 373272471 /nfs/dbraw/zinc/27/24/71/373272471.db2.gz JKDBLIRPQQJICA-CQSZACIVSA-N 1 1 259.397 3.352 20 30 CGEDMO CCN1C[C@@H](C)[N@@H+](CCCCC(C)(C)C#N)C[C@@H]1C ZINC000444670938 373229753 /nfs/dbraw/zinc/22/97/53/373229753.db2.gz BTNNBVHTCOEQCI-LSDHHAIUSA-N 1 1 265.445 3.121 20 30 CGEDMO CC[N@@H+]1C[C@@H](C)N(CCCCC(C)(C)C#N)C[C@@H]1C ZINC000444670938 373229762 /nfs/dbraw/zinc/22/97/62/373229762.db2.gz BTNNBVHTCOEQCI-LSDHHAIUSA-N 1 1 265.445 3.121 20 30 CGEDMO CC[N@H+]1C[C@@H](C)N(CCCCC(C)(C)C#N)C[C@@H]1C ZINC000444670938 373229766 /nfs/dbraw/zinc/22/97/66/373229766.db2.gz BTNNBVHTCOEQCI-LSDHHAIUSA-N 1 1 265.445 3.121 20 30 CGEDMO CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H]1CCCC[C@H]1C ZINC000444677835 373232171 /nfs/dbraw/zinc/23/21/71/373232171.db2.gz QIALXTULFNEKIK-RHSMWYFYSA-N 1 1 299.418 3.397 20 30 CGEDMO C[C@H]1COC(C)(C)C[N@H+]1CCCCC(C)(C)C#N ZINC000444698607 373241768 /nfs/dbraw/zinc/24/17/68/373241768.db2.gz SPIMSIBIGVHCHG-ZDUSSCGKSA-N 1 1 252.402 3.206 20 30 CGEDMO CCC(CC)[N@H+](CC#Cc1ccc(F)cc1)CCOC ZINC000446846188 373371881 /nfs/dbraw/zinc/37/18/81/373371881.db2.gz WOMCMSNJGLVLJZ-UHFFFAOYSA-N 1 1 277.383 3.314 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2csnn2)CCCC1(C)C ZINC000446856315 373371962 /nfs/dbraw/zinc/37/19/62/373371962.db2.gz NHGSIOXQZMHXDW-GFCCVEGCSA-N 1 1 251.399 3.105 20 30 CGEDMO C=CC[C@H]1[N@H+](Cc2csnn2)CCCC1(C)C ZINC000446856315 373371964 /nfs/dbraw/zinc/37/19/64/373371964.db2.gz NHGSIOXQZMHXDW-GFCCVEGCSA-N 1 1 251.399 3.105 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000298789608 373409721 /nfs/dbraw/zinc/40/97/21/373409721.db2.gz XFCRKHKJIWLVRB-INIZCTEOSA-N 1 1 251.333 3.223 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000298789608 373409723 /nfs/dbraw/zinc/40/97/23/373409723.db2.gz XFCRKHKJIWLVRB-INIZCTEOSA-N 1 1 251.333 3.223 20 30 CGEDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000447837564 373506016 /nfs/dbraw/zinc/50/60/16/373506016.db2.gz VPVCWHRNNXNTPF-YOEHRIQHSA-N 1 1 291.822 3.317 20 30 CGEDMO COc1cc(C[NH2+][C@H](C)c2csc(C)n2)ccc1C#N ZINC000353638949 220211701 /nfs/dbraw/zinc/21/17/01/220211701.db2.gz CMZITTDIFJHMTN-SNVBAGLBSA-N 1 1 287.388 3.183 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCCC1 ZINC000448723787 373636793 /nfs/dbraw/zinc/63/67/93/373636793.db2.gz IYDYTKMYMRQQTM-CVEARBPZSA-N 1 1 290.451 3.256 20 30 CGEDMO C[C@H]1C[C@H](N(C)CC#Cc2ccc(Cl)cc2)CC[N@H+]1C ZINC000177292380 373673300 /nfs/dbraw/zinc/67/33/00/373673300.db2.gz AOQGPYSYAQZNTA-WMLDXEAASA-N 1 1 290.838 3.106 20 30 CGEDMO C[C@H](CNc1ccc(Cl)c(C#N)n1)[N@H+]1CCC[C@H](C)C1 ZINC000301178689 373685187 /nfs/dbraw/zinc/68/51/87/373685187.db2.gz OAZVCKMILJYLEV-NWDGAFQWSA-N 1 1 292.814 3.139 20 30 CGEDMO C=CCC[C@H]([NH2+][C@@H]1CCC[C@H]1C1CC1)C(=O)OCC ZINC000449656064 373838163 /nfs/dbraw/zinc/83/81/63/373838163.db2.gz JBUNPAYXXKABAP-ZNMIVQPWSA-N 1 1 265.397 3.053 20 30 CGEDMO CN(CC[N@@H+](C)C1CC1)c1ccc(C(F)(F)F)cc1C#N ZINC000302269594 373846353 /nfs/dbraw/zinc/84/63/53/373846353.db2.gz RPIDGMQWEHLHFZ-UHFFFAOYSA-N 1 1 297.324 3.107 20 30 CGEDMO C=CCC1(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CCCCC1 ZINC000449869265 373951809 /nfs/dbraw/zinc/95/18/09/373951809.db2.gz NCDCZHKDFGOXDP-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO Cc1ccc(N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)nc1C#N ZINC000302649982 373915102 /nfs/dbraw/zinc/91/51/02/373915102.db2.gz MWKJRNBKTYJEOB-GUTXKFCHSA-N 1 1 286.423 3.040 20 30 CGEDMO CCCC[N@H+]1CCCC[C@H]1CNc1c(C#N)cccc1C#N ZINC000302883615 373995686 /nfs/dbraw/zinc/99/56/86/373995686.db2.gz LAFBZOIDZIJJBK-KRWDZBQOSA-N 1 1 296.418 3.496 20 30 CGEDMO N#CC1(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)CCC1 ZINC000450291772 374044131 /nfs/dbraw/zinc/04/41/31/374044131.db2.gz YRIIYLFGSKNKHU-QGZVFWFLSA-N 1 1 284.403 3.361 20 30 CGEDMO N#CC1(C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)CCC1 ZINC000450291772 374044138 /nfs/dbraw/zinc/04/41/38/374044138.db2.gz YRIIYLFGSKNKHU-QGZVFWFLSA-N 1 1 284.403 3.361 20 30 CGEDMO CCC[C@H](O)C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000450311557 374053223 /nfs/dbraw/zinc/05/32/23/374053223.db2.gz ICLUJBSMNILRMO-KRWDZBQOSA-N 1 1 274.408 3.177 20 30 CGEDMO CC(C)([NH2+]CC1(C#N)CCC1)c1ccc(F)c(F)c1 ZINC000450683038 374171135 /nfs/dbraw/zinc/17/11/35/374171135.db2.gz RAIXSDXBTMEYBC-UHFFFAOYSA-N 1 1 264.319 3.483 20 30 CGEDMO COC[C@@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)CC1 ZINC000452080307 374228633 /nfs/dbraw/zinc/22/86/33/374228633.db2.gz ISUCXUMCFSOEMV-OAHLLOKOSA-N 1 1 297.402 3.059 20 30 CGEDMO CCC1(CC)CC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000316655691 374333918 /nfs/dbraw/zinc/33/39/18/374333918.db2.gz DWLNQIIGGRVKQI-AWEZNQCLSA-N 1 1 299.418 3.397 20 30 CGEDMO CCn1nc(C[NH2+]Cc2cccc(C#N)c2)c2ccccc21 ZINC000316480520 374333988 /nfs/dbraw/zinc/33/39/88/374333988.db2.gz PGORUHMDDNVVRN-UHFFFAOYSA-N 1 1 290.370 3.218 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@@H](C)C2CCC2)cc1C#N ZINC000325550006 374359144 /nfs/dbraw/zinc/35/91/44/374359144.db2.gz KMPYICHJCJBBGX-LBPRGKRZSA-N 1 1 258.365 3.187 20 30 CGEDMO CCOc1cc(C[NH2+]C[C@H](C)C#N)ccc1OCC(C)C ZINC000183840007 374463475 /nfs/dbraw/zinc/46/34/75/374463475.db2.gz VGGUIJJOUUJXLB-CQSZACIVSA-N 1 1 290.407 3.369 20 30 CGEDMO CC1CC[NH+](CC(=O)Nc2n[nH]c3cc(F)ccc32)CC1 ZINC000330012087 374446964 /nfs/dbraw/zinc/44/69/64/374446964.db2.gz KABDTPWXHNMGCX-UHFFFAOYSA-N 1 1 290.342 3.022 20 30 CGEDMO Fc1ccc(C#CC[N@H+](Cc2ccncc2)C2CC2)cc1 ZINC000093222244 541981522 /nfs/dbraw/zinc/98/15/22/541981522.db2.gz MLYSMBKYJYTZMI-UHFFFAOYSA-N 1 1 280.346 3.237 20 30 CGEDMO Fc1ccc(C#CC[N@@H+](Cc2ccncc2)C2CC2)cc1 ZINC000093222244 541981525 /nfs/dbraw/zinc/98/15/25/541981525.db2.gz MLYSMBKYJYTZMI-UHFFFAOYSA-N 1 1 280.346 3.237 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@@H]2COCc3ccccc32)c(F)c1 ZINC000334236494 206234122 /nfs/dbraw/zinc/23/41/22/206234122.db2.gz LGTQNZBQQATCGP-QGZVFWFLSA-N 1 1 282.318 3.058 20 30 CGEDMO CC[C@@H]1[C@@H](C)CC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000185667032 374709733 /nfs/dbraw/zinc/70/97/33/374709733.db2.gz DDLXNJXOSVMMIA-XJKSGUPXSA-N 1 1 285.391 3.007 20 30 CGEDMO C[C@@H]1CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1(C)C ZINC000459401501 374807586 /nfs/dbraw/zinc/80/75/86/374807586.db2.gz MDBIQTGKNQQIMB-GFCCVEGCSA-N 1 1 287.363 3.334 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1(C)C ZINC000459401501 374807591 /nfs/dbraw/zinc/80/75/91/374807591.db2.gz MDBIQTGKNQQIMB-GFCCVEGCSA-N 1 1 287.363 3.334 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@]3(CCCOC3)C2)c1 ZINC000334483461 374789350 /nfs/dbraw/zinc/78/93/50/374789350.db2.gz YIBJSOYLZFAIOV-HNNXBMFYSA-N 1 1 276.405 3.012 20 30 CGEDMO CC[C@]1(C)CCC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000464778454 374897422 /nfs/dbraw/zinc/89/74/22/374897422.db2.gz QFXRFXXMIBFGBP-QGZVFWFLSA-N 1 1 272.392 3.449 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCOCC2(CCC2)C1 ZINC000334632273 374924334 /nfs/dbraw/zinc/92/43/34/374924334.db2.gz FMOGPSFWIFTXMK-AWEZNQCLSA-N 1 1 270.376 3.122 20 30 CGEDMO C=CCOCCC[N@H+](C)[C@@H]1CCc2ccccc2C1 ZINC000470768532 374998738 /nfs/dbraw/zinc/99/87/38/374998738.db2.gz AROSBSXCHQHQIU-QGZVFWFLSA-N 1 1 259.393 3.068 20 30 CGEDMO C=CCOCCC[N@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000470788187 375001375 /nfs/dbraw/zinc/00/13/75/375001375.db2.gz DPDZGAHSDMICDZ-LJQANCHMSA-N 1 1 296.414 3.486 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](CC)Cc1ccccc1Cl ZINC000472747234 375031997 /nfs/dbraw/zinc/03/19/97/375031997.db2.gz HPGXTBSJSAMSKY-AWEZNQCLSA-N 1 1 267.800 3.489 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1Cc1ccccc1C ZINC000472723541 375032274 /nfs/dbraw/zinc/03/22/74/375032274.db2.gz GDWQGPUDVAETHZ-ZWKOTPCHSA-N 1 1 273.420 3.329 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCc1ccncc1 ZINC000187721829 375081037 /nfs/dbraw/zinc/08/10/37/375081037.db2.gz SHDDOYVQKLPSNF-AWEZNQCLSA-N 1 1 265.360 3.189 20 30 CGEDMO C=C(C)C[N@@H+](CC[C@H]1CCOC1)Cc1ccccc1 ZINC000475277369 375131726 /nfs/dbraw/zinc/13/17/26/375131726.db2.gz SCSVHSDHWXPZQT-KRWDZBQOSA-N 1 1 259.393 3.491 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCOC[C@]2(C)CC)cc1 ZINC000482510944 375169781 /nfs/dbraw/zinc/16/97/81/375169781.db2.gz NNNQAPDEGKMWRC-KRWDZBQOSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CC[N@H+](CCCOc1cccc(Cl)c1)CCOC ZINC000484691344 375189543 /nfs/dbraw/zinc/18/95/43/375189543.db2.gz ZXHXASIUZKWSHT-UHFFFAOYSA-N 1 1 283.799 3.243 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000188569961 375232058 /nfs/dbraw/zinc/23/20/58/375232058.db2.gz WZUDRLLQXVITLL-MAUKXSAKSA-N 1 1 288.435 3.225 20 30 CGEDMO Cc1cc(C[N@H+]2CC[C@@H](c3cccnc3)C2)ccc1C#N ZINC000335419832 375279026 /nfs/dbraw/zinc/27/90/26/375279026.db2.gz ZQLYSXTWYPECTB-GOSISDBHSA-N 1 1 277.371 3.251 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@]3(CCCOC3)C2)cc1F ZINC000335787827 375430739 /nfs/dbraw/zinc/43/07/39/375430739.db2.gz BHNUBZKZNNVPAG-KRWDZBQOSA-N 1 1 288.366 3.090 20 30 CGEDMO C[C@@H]1COCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000335811005 375449970 /nfs/dbraw/zinc/44/99/70/375449970.db2.gz FVJQYSRJHQAMNY-NSHDSACASA-N 1 1 298.308 3.045 20 30 CGEDMO C[C@@H]1COCC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000335811005 375449976 /nfs/dbraw/zinc/44/99/76/375449976.db2.gz FVJQYSRJHQAMNY-NSHDSACASA-N 1 1 298.308 3.045 20 30 CGEDMO N#CC1(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)CC1 ZINC000335928457 375545845 /nfs/dbraw/zinc/54/58/45/375545845.db2.gz PGQHXEBTRLZNFM-LLVKDONJSA-N 1 1 272.314 3.345 20 30 CGEDMO N#CC1(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)CC1 ZINC000335928457 375545848 /nfs/dbraw/zinc/54/58/48/375545848.db2.gz PGQHXEBTRLZNFM-LLVKDONJSA-N 1 1 272.314 3.345 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000493980598 375484488 /nfs/dbraw/zinc/48/44/88/375484488.db2.gz CGEHPBHRJFYSAM-KGLIPLIRSA-N 1 1 282.428 3.188 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000494485537 375488795 /nfs/dbraw/zinc/48/87/95/375488795.db2.gz LGTBMAJAILXGJJ-UONOGXRCSA-N 1 1 282.428 3.188 20 30 CGEDMO C=CC[N@@H+](C)CCCc1ccccc1Br ZINC000494664899 375490372 /nfs/dbraw/zinc/49/03/72/375490372.db2.gz HTYKRIRQVFOYCX-UHFFFAOYSA-N 1 1 268.198 3.500 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496256167 375522702 /nfs/dbraw/zinc/52/27/02/375522702.db2.gz RZIJCDOEILZNFR-GFCCVEGCSA-N 1 1 294.782 3.389 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496256167 375522706 /nfs/dbraw/zinc/52/27/06/375522706.db2.gz RZIJCDOEILZNFR-GFCCVEGCSA-N 1 1 294.782 3.389 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000496822007 375559021 /nfs/dbraw/zinc/55/90/21/375559021.db2.gz RAQBRBPPDVWKSL-GDBMZVCRSA-N 1 1 286.375 3.052 20 30 CGEDMO CCC[C@@H](C)[C@H]1CCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191430911 375628262 /nfs/dbraw/zinc/62/82/62/375628262.db2.gz UVCRFHYQCWFNNR-CZUORRHYSA-N 1 1 259.397 3.297 20 30 CGEDMO CC#CCC[N@H+](Cc1ccc(OC)cc1OC)CC1CC1 ZINC000503238953 375649603 /nfs/dbraw/zinc/64/96/03/375649603.db2.gz VRDGETYZAFPCIF-UHFFFAOYSA-N 1 1 287.403 3.329 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2C[C@@H](C)OC[C@@H]2CC)cc1 ZINC000505610925 375660824 /nfs/dbraw/zinc/66/08/24/375660824.db2.gz LGERMYGZFFDRPD-ZBFHGGJFSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CC[N@@H+](CCOC)Cc1cc(Cl)ccc1F ZINC000191762423 375661471 /nfs/dbraw/zinc/66/14/71/375661471.db2.gz WCNCHCQWILTQKS-UHFFFAOYSA-N 1 1 257.736 3.114 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cc(Cl)ccc1F ZINC000191762423 375661474 /nfs/dbraw/zinc/66/14/74/375661474.db2.gz WCNCHCQWILTQKS-UHFFFAOYSA-N 1 1 257.736 3.114 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)NC(CC)CC ZINC000505741994 375661631 /nfs/dbraw/zinc/66/16/31/375661631.db2.gz MWLRAGKWQLBPHC-OAHLLOKOSA-N 1 1 288.435 3.368 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)NC(CC)CC ZINC000505741994 375661634 /nfs/dbraw/zinc/66/16/34/375661634.db2.gz MWLRAGKWQLBPHC-OAHLLOKOSA-N 1 1 288.435 3.368 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(Br)c(C)c1 ZINC000501966666 375642699 /nfs/dbraw/zinc/64/26/99/375642699.db2.gz KJEKNLBLQXKZHT-UHFFFAOYSA-N 1 1 254.171 3.375 20 30 CGEDMO C[N@H+](Cc1ccc(Cl)o1)Cc1ccc(C#N)cc1 ZINC000507250796 375693027 /nfs/dbraw/zinc/69/30/27/375693027.db2.gz DAMVGDWNHZKKGP-UHFFFAOYSA-N 1 1 260.724 3.437 20 30 CGEDMO C[N@@H+](Cc1ccc(Cl)o1)Cc1ccc(C#N)cc1 ZINC000507250796 375693032 /nfs/dbraw/zinc/69/30/32/375693032.db2.gz DAMVGDWNHZKKGP-UHFFFAOYSA-N 1 1 260.724 3.437 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000191968131 375686061 /nfs/dbraw/zinc/68/60/61/375686061.db2.gz HCZOSIVBDPDHPK-KRWDZBQOSA-N 1 1 299.414 3.203 20 30 CGEDMO C[C@@H](c1cccnc1)[N@H+](C)CC#Cc1ccccc1 ZINC000192135349 375703274 /nfs/dbraw/zinc/70/32/74/375703274.db2.gz LMPUYDLNAUMHPA-HNNXBMFYSA-N 1 1 250.345 3.126 20 30 CGEDMO C[C@@H](c1cccnc1)[N@@H+](C)CC#Cc1ccccc1 ZINC000192135349 375703282 /nfs/dbraw/zinc/70/32/82/375703282.db2.gz LMPUYDLNAUMHPA-HNNXBMFYSA-N 1 1 250.345 3.126 20 30 CGEDMO C=C(C)CC[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000509358266 375779616 /nfs/dbraw/zinc/77/96/16/375779616.db2.gz NJXHAJNHUHUCDA-QGZVFWFLSA-N 1 1 259.393 3.325 20 30 CGEDMO N#C[C@H]1CC[C@H]([NH+]2CCN(c3ccccc3Cl)CC2)C1 ZINC000336435494 375793451 /nfs/dbraw/zinc/79/34/51/375793451.db2.gz OQVKZTKUWUETDN-KBPBESRZSA-N 1 1 289.810 3.154 20 30 CGEDMO C=CCCCNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000516489066 375821119 /nfs/dbraw/zinc/82/11/19/375821119.db2.gz VLRSDEZUDOFGMI-AWEZNQCLSA-N 1 1 280.799 3.025 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000511640278 375791347 /nfs/dbraw/zinc/79/13/47/375791347.db2.gz LPVJOGKMDPTBCS-XQQFMLRXSA-N 1 1 279.346 3.224 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(CC#N)cc2)CCS1 ZINC000336546230 375822526 /nfs/dbraw/zinc/82/25/26/375822526.db2.gz XGKXLCQFRUXSTO-CYBMUJFWSA-N 1 1 260.406 3.080 20 30 CGEDMO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccc(C#N)cn1 ZINC000519603293 375849611 /nfs/dbraw/zinc/84/96/11/375849611.db2.gz HSFALZLGLDKBFN-ZDUSSCGKSA-N 1 1 281.359 3.121 20 30 CGEDMO CC(C)(C)[C@H]1CCC[N@@H+](C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000528384640 375900585 /nfs/dbraw/zinc/90/05/85/375900585.db2.gz SZTUAVJLTOPGMP-GJZGRUSLSA-N 1 1 278.440 3.189 20 30 CGEDMO C[C@]1(c2ccccc2)CCC[N@@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528381367 375900608 /nfs/dbraw/zinc/90/06/08/375900608.db2.gz MNHVLPHEDZUWRD-ROUUACIJSA-N 1 1 298.430 3.095 20 30 CGEDMO C=CC[N@H+](Cc1cnn(C=C)c1)Cc1cccc(C#N)c1 ZINC000193801297 375923974 /nfs/dbraw/zinc/92/39/74/375923974.db2.gz INUIGTNUNPYWBT-UHFFFAOYSA-N 1 1 278.359 3.043 20 30 CGEDMO C=CC[N@@H+](Cc1cnn(C=C)c1)Cc1cccc(C#N)c1 ZINC000193801297 375923979 /nfs/dbraw/zinc/92/39/79/375923979.db2.gz INUIGTNUNPYWBT-UHFFFAOYSA-N 1 1 278.359 3.043 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000529719763 375934070 /nfs/dbraw/zinc/93/40/70/375934070.db2.gz QCYLDXPFRRSEEU-DOTOQJQBSA-N 1 1 278.440 3.112 20 30 CGEDMO C[N@@H+](CCCC(C)(C)C#N)Cc1ccc2c(c1)OCCO2 ZINC000530626616 375942144 /nfs/dbraw/zinc/94/21/44/375942144.db2.gz OZUVCDMXHVGYNM-UHFFFAOYSA-N 1 1 288.391 3.220 20 30 CGEDMO CCCC[N@@H+](CCCC1(C#N)CCOCC1)C1CC1 ZINC000337123015 376085695 /nfs/dbraw/zinc/08/56/95/376085695.db2.gz BLFXFMNPLBEWSJ-UHFFFAOYSA-N 1 1 264.413 3.351 20 30 CGEDMO C=CC[N@H+](Cc1cnc(OC)nc1C)CC1CCCCC1 ZINC000337173173 376113156 /nfs/dbraw/zinc/11/31/56/376113156.db2.gz GZYFHJSOCLVXBI-UHFFFAOYSA-N 1 1 289.423 3.362 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2CCC(C)C)C1=O ZINC000337176077 376115998 /nfs/dbraw/zinc/11/59/98/376115998.db2.gz IMKZWLLYFLHJTL-CVEARBPZSA-N 1 1 278.440 3.064 20 30 CGEDMO CC(C)C[C@@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337198597 376130841 /nfs/dbraw/zinc/13/08/41/376130841.db2.gz YGYLIIIXNNLACD-INIZCTEOSA-N 1 1 278.440 3.455 20 30 CGEDMO Cc1ccc2c(c1)C[N@H+](CCCC1(C#N)CCOCC1)C2 ZINC000337221637 376146975 /nfs/dbraw/zinc/14/69/75/376146975.db2.gz CJSKXVDEFDUJBC-UHFFFAOYSA-N 1 1 284.403 3.411 20 30 CGEDMO CCC[C@@H](C)C[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000537197629 376152745 /nfs/dbraw/zinc/15/27/45/376152745.db2.gz SBBYBHIBLRTTPU-OAHLLOKOSA-N 1 1 274.408 3.443 20 30 CGEDMO CCC[C@H](C)C[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000537197628 376152856 /nfs/dbraw/zinc/15/28/56/376152856.db2.gz SBBYBHIBLRTTPU-HNNXBMFYSA-N 1 1 274.408 3.443 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)N1CCCc2ccccc21 ZINC000216166557 376158585 /nfs/dbraw/zinc/15/85/85/376158585.db2.gz AUVOLMPTBGMJML-HNNXBMFYSA-N 1 1 286.419 3.252 20 30 CGEDMO C[C@@H]1CC[C@H](C)C[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000337189650 376125264 /nfs/dbraw/zinc/12/52/64/376125264.db2.gz RGLOXSHDYQDHAX-LSDHHAIUSA-N 1 1 264.413 3.207 20 30 CGEDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC000538957569 376281410 /nfs/dbraw/zinc/28/14/10/376281410.db2.gz JRMXXXYHUXTGKE-GXTWGEPZSA-N 1 1 286.375 3.108 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000539388753 376306789 /nfs/dbraw/zinc/30/67/89/376306789.db2.gz YSTHSSNXEWDJMB-HRCADAONSA-N 1 1 295.471 3.151 20 30 CGEDMO Cc1ccc2nc(C[NH2+][C@H](C)c3ccc(C#N)cc3)cn2c1 ZINC000338346273 376343504 /nfs/dbraw/zinc/34/35/04/376343504.db2.gz KZJUJRASEWTJCU-CQSZACIVSA-N 1 1 290.370 3.365 20 30 CGEDMO N#Cc1ccc(OCC[N@H+]2CCC[C@H]3CCC[C@H]32)cc1 ZINC000228012633 376422414 /nfs/dbraw/zinc/42/24/14/376422414.db2.gz WFJWKVYFMYDGSG-NVXWUHKLSA-N 1 1 270.376 3.202 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000540568820 376380984 /nfs/dbraw/zinc/38/09/84/376380984.db2.gz MNJLDFVTNDDBKX-JKSUJKDBSA-N 1 1 295.471 3.295 20 30 CGEDMO C=C(C)C[NH2+][C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000541687132 376471662 /nfs/dbraw/zinc/47/16/62/376471662.db2.gz KZSONSGRWXMKCH-NSHDSACASA-N 1 1 275.327 3.411 20 30 CGEDMO N#Cc1ccc(NCC[N@@H+]2CC=CCC2)cc1C(F)(F)F ZINC000338711294 376494593 /nfs/dbraw/zinc/49/45/93/376494593.db2.gz JGVYRYYZIPNOMB-UHFFFAOYSA-N 1 1 295.308 3.251 20 30 CGEDMO C[C@@H]1C[N@@H+](CCOc2ccccc2C#N)[C@@H]2CCCC[C@@H]21 ZINC000542968300 376595143 /nfs/dbraw/zinc/59/51/43/376595143.db2.gz YWSCEWWEXUGBJN-DJIMGWMZSA-N 1 1 284.403 3.448 20 30 CGEDMO Clc1ccccc1C#CC[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000134997410 542084656 /nfs/dbraw/zinc/08/46/56/542084656.db2.gz QRYNADPPPCCKQO-OAHLLOKOSA-N 1 1 299.805 3.294 20 30 CGEDMO Clc1ccccc1C#CC[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000134997410 542084657 /nfs/dbraw/zinc/08/46/57/542084657.db2.gz QRYNADPPPCCKQO-OAHLLOKOSA-N 1 1 299.805 3.294 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000338919117 376574626 /nfs/dbraw/zinc/57/46/26/376574626.db2.gz NNRWYWSIQAJKHG-MRXNPFEDSA-N 1 1 291.391 3.043 20 30 CGEDMO C[N@@H+](CCCCC(C)(C)C#N)C[C@H]1CCCCO1 ZINC000234272133 376615479 /nfs/dbraw/zinc/61/54/79/376615479.db2.gz OZDMALSDFXLPCP-CQSZACIVSA-N 1 1 252.402 3.207 20 30 CGEDMO C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCC(CC#N)CC1 ZINC000543810907 376680398 /nfs/dbraw/zinc/68/03/98/376680398.db2.gz MGHSZTIMNNJIII-ZDUSSCGKSA-N 1 1 296.374 3.423 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@@H]1CSc1cc(C#N)ccn1 ZINC000339113807 376686875 /nfs/dbraw/zinc/68/68/75/376686875.db2.gz HPBNJPQLXJWJEM-CQSZACIVSA-N 1 1 275.421 3.308 20 30 CGEDMO CC(C)[C@@H](C[NH2+]Cc1cccc(C#N)c1)N1CCC(C)CC1 ZINC000236728518 376688439 /nfs/dbraw/zinc/68/84/39/376688439.db2.gz ACSKNETWNRRZOS-LJQANCHMSA-N 1 1 299.462 3.404 20 30 CGEDMO C=C1CC[NH+]([C@H](C)C(=O)Nc2cccc3ncccc32)CC1 ZINC000264520147 190116039 /nfs/dbraw/zinc/11/60/39/190116039.db2.gz ZTDRSYDFGURICG-CQSZACIVSA-N 1 1 295.386 3.214 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CC[C@H](CC3CC3)C2)cc1 ZINC000339679771 376806108 /nfs/dbraw/zinc/80/61/08/376806108.db2.gz LPNDRWMOZOYNCZ-QGZVFWFLSA-N 1 1 254.377 3.375 20 30 CGEDMO C[C@@H]1CC[N@@H+](CC(C)(C)CCC#N)C[C@H]1n1ccnc1 ZINC000245752284 376900332 /nfs/dbraw/zinc/90/03/32/376900332.db2.gz HGPOHGRJFQVARZ-HUUCEWRRSA-N 1 1 274.412 3.096 20 30 CGEDMO N#Cc1cccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246489855 377042158 /nfs/dbraw/zinc/04/21/58/377042158.db2.gz HBAKPBKQBASZQA-HKUYNNGSSA-N 1 1 295.430 3.007 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000246489855 377042200 /nfs/dbraw/zinc/04/22/00/377042200.db2.gz HBAKPBKQBASZQA-HKUYNNGSSA-N 1 1 295.430 3.007 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000246489855 377042211 /nfs/dbraw/zinc/04/22/11/377042211.db2.gz HBAKPBKQBASZQA-HKUYNNGSSA-N 1 1 295.430 3.007 20 30 CGEDMO C[C@@H]1C[N@H+](CCCSCC#N)C[C@@H](c2ccsc2)O1 ZINC000246517524 377045658 /nfs/dbraw/zinc/04/56/58/377045658.db2.gz PBOXIHFZJCNLNA-OCCSQVGLSA-N 1 1 296.461 3.157 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCSCC#N)C[C@@H](c2ccsc2)O1 ZINC000246517524 377045666 /nfs/dbraw/zinc/04/56/66/377045666.db2.gz PBOXIHFZJCNLNA-OCCSQVGLSA-N 1 1 296.461 3.157 20 30 CGEDMO N#CCC[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000246581994 377055546 /nfs/dbraw/zinc/05/55/46/377055546.db2.gz YSKCGWHQUKCFGC-SQNIBIBYSA-N 1 1 283.419 3.248 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000246776002 377087974 /nfs/dbraw/zinc/08/79/74/377087974.db2.gz OIIWQCVXVOQIJR-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000247273351 377188116 /nfs/dbraw/zinc/18/81/16/377188116.db2.gz GUIDRUGRGVCACY-SOUVJXGZSA-N 1 1 263.381 3.380 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCSCC#N)[C@@H]2CCCC[C@H]21 ZINC000248412093 377312355 /nfs/dbraw/zinc/31/23/55/377312355.db2.gz FBVUZHQNHKKBNC-HZSPNIEDSA-N 1 1 252.427 3.144 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cn3ccccc3c2C#N)[C@H]1C ZINC000248369270 377297206 /nfs/dbraw/zinc/29/72/06/377297206.db2.gz WBKNJAVYZGHNLK-OLZOCXBDSA-N 1 1 253.349 3.041 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000562360424 377301786 /nfs/dbraw/zinc/30/17/86/377301786.db2.gz BYPSIFUJGKIUGX-HNNXBMFYSA-N 1 1 267.376 3.487 20 30 CGEDMO COc1cccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)cn2)c1 ZINC000562370490 377303820 /nfs/dbraw/zinc/30/38/20/377303820.db2.gz QAKSBWOSZPNHJD-GOSISDBHSA-N 1 1 293.370 3.299 20 30 CGEDMO CC#CCC[N@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000248399568 377308448 /nfs/dbraw/zinc/30/84/48/377308448.db2.gz VZLYGTZWJZUMRG-JKSUJKDBSA-N 1 1 275.392 3.361 20 30 CGEDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000563216238 377422462 /nfs/dbraw/zinc/42/24/62/377422462.db2.gz UATZHDSIRIIMRA-SMDDNHRTSA-N 1 1 273.336 3.087 20 30 CGEDMO CCC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C(C)C ZINC000563365187 377450434 /nfs/dbraw/zinc/45/04/34/377450434.db2.gz BYXVLLMYZQRQPJ-UHFFFAOYSA-N 1 1 284.363 3.229 20 30 CGEDMO Cc1[nH+]ccn1CCCOc1cc(Cl)cc(C#N)c1 ZINC000341302734 377499365 /nfs/dbraw/zinc/49/93/65/377499365.db2.gz MQEWXRJSSNTQJC-UHFFFAOYSA-N 1 1 275.739 3.186 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249711413 377524069 /nfs/dbraw/zinc/52/40/69/377524069.db2.gz FBMHPSSAFFHWBZ-CHWSQXEVSA-N 1 1 272.175 3.069 20 30 CGEDMO N#CCC[NH2+][C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1 ZINC000567710305 377510249 /nfs/dbraw/zinc/51/02/49/377510249.db2.gz IQENNSCSMVNKOG-JTQLQIEISA-N 1 1 284.190 3.075 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCN(Cc2ccco2)CC1 ZINC000265480633 190185356 /nfs/dbraw/zinc/18/53/56/190185356.db2.gz LOULHYGSTNDWTG-HNNXBMFYSA-N 1 1 295.386 3.030 20 30 CGEDMO C=CC[C@H](CC)NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000341655953 377610478 /nfs/dbraw/zinc/61/04/78/377610478.db2.gz STMKULIIPRDSQP-JKSUJKDBSA-N 1 1 274.408 3.150 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000341684879 377612546 /nfs/dbraw/zinc/61/25/46/377612546.db2.gz IJFBAQIZOPMLEY-CABCVRRESA-N 1 1 278.440 3.062 20 30 CGEDMO CC(C)(CCC#N)C[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC000342307720 377640204 /nfs/dbraw/zinc/64/02/04/377640204.db2.gz RVQFBRIUJCZYNP-UHFFFAOYSA-N 1 1 282.391 3.496 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000342727623 377758602 /nfs/dbraw/zinc/75/86/02/377758602.db2.gz VPNVXPIOTHNMGW-GJZGRUSLSA-N 1 1 274.408 3.069 20 30 CGEDMO N#CCC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC1CC1 ZINC000255489033 377761825 /nfs/dbraw/zinc/76/18/25/377761825.db2.gz SBWKAYIHTGZTDK-UTCJRWHESA-N 1 1 285.347 3.234 20 30 CGEDMO N#CCC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC1CC1 ZINC000255489033 377761830 /nfs/dbraw/zinc/76/18/30/377761830.db2.gz SBWKAYIHTGZTDK-UTCJRWHESA-N 1 1 285.347 3.234 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc(Cl)cc2c1OCC2 ZINC000342738207 377766243 /nfs/dbraw/zinc/76/62/43/377766243.db2.gz UCLOFLMHKJTAKW-UHFFFAOYSA-N 1 1 251.757 3.283 20 30 CGEDMO Cc1ccccc1[C@H]1C[C@H](C)[N@H+](CC2(C#N)CC2)C1 ZINC000343320809 377951408 /nfs/dbraw/zinc/95/14/08/377951408.db2.gz MVMHDYTXOHEEQC-GJZGRUSLSA-N 1 1 254.377 3.477 20 30 CGEDMO Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](CC2(C#N)CC2)C1 ZINC000343320808 377952207 /nfs/dbraw/zinc/95/22/07/377952207.db2.gz MVMHDYTXOHEEQC-CABCVRRESA-N 1 1 254.377 3.477 20 30 CGEDMO C=CCC[N@@H+](C)Cc1cc(O)ccc1Br ZINC000343449274 377981964 /nfs/dbraw/zinc/98/19/64/377981964.db2.gz VYUHIKHTDQTPHB-UHFFFAOYSA-N 1 1 270.170 3.163 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc(O)ccc1Br ZINC000343449274 377981968 /nfs/dbraw/zinc/98/19/68/377981968.db2.gz VYUHIKHTDQTPHB-UHFFFAOYSA-N 1 1 270.170 3.163 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000268158513 378050187 /nfs/dbraw/zinc/05/01/87/378050187.db2.gz MQPXSDXAQZYRHH-SFHVURJKSA-N 1 1 298.430 3.270 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000268158513 378050193 /nfs/dbraw/zinc/05/01/93/378050193.db2.gz MQPXSDXAQZYRHH-SFHVURJKSA-N 1 1 298.430 3.270 20 30 CGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CC[C@@H](c3ccccc3)C2)cc1 ZINC000268646871 378085349 /nfs/dbraw/zinc/08/53/49/378085349.db2.gz FSSKUFCRKPQRTM-MOPGFXCFSA-N 1 1 292.382 3.081 20 30 CGEDMO C=CCCCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268552879 378073449 /nfs/dbraw/zinc/07/34/49/378073449.db2.gz MXLKEUVEGBEXME-QGZVFWFLSA-N 1 1 286.419 3.076 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1cncc(OC)c1 ZINC000343948089 378141877 /nfs/dbraw/zinc/14/18/77/378141877.db2.gz CSPWLVHSJYZEEZ-UHFFFAOYSA-N 1 1 282.387 3.321 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)C[C@@H](O)C(C)(C)C ZINC000343974443 378149014 /nfs/dbraw/zinc/14/90/14/378149014.db2.gz QYDBIRJLFBRRCR-CYBMUJFWSA-N 1 1 253.411 3.143 20 30 CGEDMO CC[N@H+]1C[C@@H](C)N(c2ccc(C#N)c(Cl)c2)C[C@H]1C ZINC000345161094 378209643 /nfs/dbraw/zinc/20/96/43/378209643.db2.gz JOOWTYOFUCOGSO-VXGBXAGGSA-N 1 1 277.799 3.131 20 30 CGEDMO CCC(C)(C)[C@@H]1CCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000579960343 378211336 /nfs/dbraw/zinc/21/13/36/378211336.db2.gz NJRJXUATHGELJL-HNNXBMFYSA-N 1 1 297.406 3.002 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+]Cc1ccc(-c2ccncc2)cc1 ZINC000580014212 378216690 /nfs/dbraw/zinc/21/66/90/378216690.db2.gz ALNLSYZQJBXBFG-MRXNPFEDSA-N 1 1 290.370 3.282 20 30 CGEDMO CC(C)[N@@H+]1CCCC[C@@H]1CN[C@H](C)c1ccc(C#N)cc1 ZINC000344295912 378166133 /nfs/dbraw/zinc/16/61/33/378166133.db2.gz KNVGQEPRRRHTNH-CRAIPNDOSA-N 1 1 285.435 3.472 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@@H]1CN[C@H](C)c1ccc(C#N)cc1 ZINC000344295912 378166140 /nfs/dbraw/zinc/16/61/40/378166140.db2.gz KNVGQEPRRRHTNH-CRAIPNDOSA-N 1 1 285.435 3.472 20 30 CGEDMO C=CCCCCC[N@H+](C)CC(=O)N[C@H]1CCCC[C@H]1C ZINC000583721673 378341462 /nfs/dbraw/zinc/34/14/62/378341462.db2.gz JSHKXMSXNSQEJS-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO CC1(C)C[N@@H+](CCCSCC#N)Cc2ccccc21 ZINC000270386452 378344475 /nfs/dbraw/zinc/34/44/75/378344475.db2.gz RIPWMRQXRNSDKZ-UHFFFAOYSA-N 1 1 274.433 3.427 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)nc1 ZINC000583820077 378350062 /nfs/dbraw/zinc/35/00/62/378350062.db2.gz BVFDHDZMGHYQEH-GOSISDBHSA-N 1 1 292.386 3.030 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595504618 378402173 /nfs/dbraw/zinc/40/21/73/378402173.db2.gz KQUOEPOKEPHGJX-CRAIPNDOSA-N 1 1 283.419 3.037 20 30 CGEDMO Cc1nc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)cs1 ZINC000618742759 378410623 /nfs/dbraw/zinc/41/06/23/378410623.db2.gz RICRNSCRSNIKRM-OAHLLOKOSA-N 1 1 269.373 3.100 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1C ZINC000271067121 378445646 /nfs/dbraw/zinc/44/56/46/378445646.db2.gz UPSSXWUBCWLTES-KGLIPLIRSA-N 1 1 258.365 3.067 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000271129181 378459872 /nfs/dbraw/zinc/45/98/72/378459872.db2.gz OKORCAQTRHOALE-MRXNPFEDSA-N 1 1 297.402 3.354 20 30 CGEDMO CCN(CC)C[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000346130348 378473797 /nfs/dbraw/zinc/47/37/97/378473797.db2.gz MDFXZTCCFQQJLN-STQMWFEESA-N 1 1 277.387 3.078 20 30 CGEDMO N#CCOc1ccc(C[N@@H+]2CCc3cccc(F)c3C2)cc1 ZINC000271011246 378426551 /nfs/dbraw/zinc/42/65/51/378426551.db2.gz FGELDGBQKBLGNO-UHFFFAOYSA-N 1 1 296.345 3.286 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CCc3cccc(F)c3C2)cc1 ZINC000271011246 378426555 /nfs/dbraw/zinc/42/65/55/378426555.db2.gz FGELDGBQKBLGNO-UHFFFAOYSA-N 1 1 296.345 3.286 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1C ZINC000271046229 378438207 /nfs/dbraw/zinc/43/82/07/378438207.db2.gz OESJKYLQIOIJNI-MRXNPFEDSA-N 1 1 267.376 3.124 20 30 CGEDMO C=CC[N@@H+](CCC[C@H]1CCO1)Cc1cccs1 ZINC000637871508 378608418 /nfs/dbraw/zinc/60/84/18/378608418.db2.gz NVNZZVJFEITKOF-ZDUSSCGKSA-N 1 1 251.395 3.305 20 30 CGEDMO C=C(CN[C@H]1CC[N@@H+](CC)C[C@H]1C)c1ccccc1 ZINC000346775515 378687329 /nfs/dbraw/zinc/68/73/29/378687329.db2.gz GZEKDULBGHLKET-WBVHZDCISA-N 1 1 258.409 3.020 20 30 CGEDMO C=C(CN[C@H]1CC[N@H+](CC)C[C@H]1C)c1ccccc1 ZINC000346775515 378687336 /nfs/dbraw/zinc/68/73/36/378687336.db2.gz GZEKDULBGHLKET-WBVHZDCISA-N 1 1 258.409 3.020 20 30 CGEDMO C=C(C[NH2+][C@H]1CCN(CC)C[C@H]1C)c1ccccc1 ZINC000346775515 378687343 /nfs/dbraw/zinc/68/73/43/378687343.db2.gz GZEKDULBGHLKET-WBVHZDCISA-N 1 1 258.409 3.020 20 30 CGEDMO C=C[C@@H](CC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000272677147 378687401 /nfs/dbraw/zinc/68/74/01/378687401.db2.gz KDBBPNARJWHXGS-CVEARBPZSA-N 1 1 298.430 3.113 20 30 CGEDMO C=CCOCCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000348047911 378766556 /nfs/dbraw/zinc/76/65/56/378766556.db2.gz GJTMFHYDWZTICF-UHFFFAOYSA-N 1 1 290.363 3.152 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000348050242 378768658 /nfs/dbraw/zinc/76/86/58/378768658.db2.gz LVICQIPADFGYPL-CYBMUJFWSA-N 1 1 281.346 3.347 20 30 CGEDMO CCc1cccc2c1OCC[C@H]2[NH2+]Cc1ccc(C#N)o1 ZINC000266188084 190238841 /nfs/dbraw/zinc/23/88/41/190238841.db2.gz HWRJQQDWIWRTJQ-MRXNPFEDSA-N 1 1 282.343 3.327 20 30 CGEDMO N#Cc1ccc(OCC[N@H+]2CCCC3(CCC3)C2)cc1 ZINC000348185564 378829933 /nfs/dbraw/zinc/82/99/33/378829933.db2.gz ZZILJTVBTILBPQ-UHFFFAOYSA-N 1 1 270.376 3.203 20 30 CGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCCC3(CCC3)C2)cc1 ZINC000348191491 378831519 /nfs/dbraw/zinc/83/15/19/378831519.db2.gz DDNBAGPRFTVDPS-UHFFFAOYSA-N 1 1 297.402 3.153 20 30 CGEDMO CCCC[N@H+]1CCCC[C@@H]1CNc1nc(C)ccc1C#N ZINC000346824705 218025248 /nfs/dbraw/zinc/02/52/48/218025248.db2.gz GMLHHABYEPSIFK-MRXNPFEDSA-N 1 1 286.423 3.328 20 30 CGEDMO C=CCOCC[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000274355877 378818207 /nfs/dbraw/zinc/81/82/07/378818207.db2.gz HIBWFIFCLZTQFT-MRVPVSSYSA-N 1 1 280.315 3.015 20 30 CGEDMO CCn1cc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)cn1 ZINC000346860994 218039100 /nfs/dbraw/zinc/03/91/00/218039100.db2.gz DHOAJKGQXLNLRV-VXGBXAGGSA-N 1 1 286.354 3.326 20 30 CGEDMO CC(C)(CO)[C@H]([NH2+]Cc1ccc(C#N)o1)c1ccccc1 ZINC000348355689 378924935 /nfs/dbraw/zinc/92/49/35/378924935.db2.gz LMWYZIKZSLSELD-MRXNPFEDSA-N 1 1 284.359 3.001 20 30 CGEDMO CC[C@H](N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(C#N)cc1 ZINC000278631538 194076597 /nfs/dbraw/zinc/07/65/97/194076597.db2.gz GYLHVTVMYAEQLM-KSZLIROESA-N 1 1 285.435 3.472 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H](OC)[C@@H](C)CC ZINC000639162920 379080571 /nfs/dbraw/zinc/08/05/71/379080571.db2.gz UQPPSKFPYMINFC-YOEHRIQHSA-N 1 1 295.423 3.211 20 30 CGEDMO CCOC1CC2(C1)CC[N@@H+](Cc1cc(C#N)cs1)C2 ZINC000348872133 379093554 /nfs/dbraw/zinc/09/35/54/379093554.db2.gz ZGFIUPZJJYQPPU-UHFFFAOYSA-N 1 1 276.405 3.011 20 30 CGEDMO C[N@H+]1CCCC12CCN(c1ccc(Cl)cc1C#N)CC2 ZINC000372600216 379198219 /nfs/dbraw/zinc/19/82/19/379198219.db2.gz NWKBCSPFDTZZGN-UHFFFAOYSA-N 1 1 289.810 3.276 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](C)c2cnc(C)nc2C)C1 ZINC000639310039 379261256 /nfs/dbraw/zinc/26/12/56/379261256.db2.gz NNYXAPGKKSIEKG-DZGCQCFKSA-N 1 1 259.397 3.443 20 30 CGEDMO C[C@@H]([NH2+]C1CC(N2CCCCC2)C1)c1cccc(C#N)c1 ZINC000373525278 379293004 /nfs/dbraw/zinc/29/30/04/379293004.db2.gz YUTORKCDQBXCIJ-RWBZWWBESA-N 1 1 283.419 3.226 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](c3ccco3)C2)c1 ZINC000374000509 379358984 /nfs/dbraw/zinc/35/89/84/379358984.db2.gz CZPXTSPITBLSFJ-ZDUSSCGKSA-N 1 1 270.307 3.280 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1c(C)cccc1C(C)C ZINC000279389095 379424339 /nfs/dbraw/zinc/42/43/39/379424339.db2.gz YOCAZHLOVPTGBD-UHFFFAOYSA-N 1 1 286.419 3.401 20 30 CGEDMO C#CC(C)(C)[N@H+](C)CC(=O)Nc1c(C)cccc1C(C)C ZINC000279389095 379424343 /nfs/dbraw/zinc/42/43/43/379424343.db2.gz YOCAZHLOVPTGBD-UHFFFAOYSA-N 1 1 286.419 3.401 20 30 CGEDMO CC(C)(C)[C@@H]1CC[N@@H+](CC(C)(C)CCC#N)C[C@H]1O ZINC000350008457 379476384 /nfs/dbraw/zinc/47/63/84/379476384.db2.gz NVYAFOPFXUGXOO-ZIAGYGMSSA-N 1 1 266.429 3.045 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000375347612 379493371 /nfs/dbraw/zinc/49/33/71/379493371.db2.gz DXFARRQMBFSBGC-CABCVRRESA-N 1 1 264.413 3.350 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCC[C@@H](c3cccnc3)C2)cc1 ZINC000639696654 379553331 /nfs/dbraw/zinc/55/33/31/379553331.db2.gz NTVJWAICAHGHBR-GOSISDBHSA-N 1 1 294.373 3.452 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2cccc3c2CCOC3)C1 ZINC000639889611 379630479 /nfs/dbraw/zinc/63/04/79/379630479.db2.gz GYKLGVDSZCNMCS-CQSZACIVSA-N 1 1 257.377 3.157 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)N1CCSc2ccccc21 ZINC000351063267 379631553 /nfs/dbraw/zinc/63/15/53/379631553.db2.gz LNFQIKHHMCSUJA-ZDUSSCGKSA-N 1 1 290.432 3.022 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)N1CCSc2ccccc21 ZINC000351063267 379631561 /nfs/dbraw/zinc/63/15/61/379631561.db2.gz LNFQIKHHMCSUJA-ZDUSSCGKSA-N 1 1 290.432 3.022 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(OCC(F)(F)F)nc1 ZINC000351096031 379642908 /nfs/dbraw/zinc/64/29/08/379642908.db2.gz GDXDPZCWZWUOIC-UHFFFAOYSA-N 1 1 274.286 3.031 20 30 CGEDMO C=CCOCCC[N@H+]1CCCC[C@@H]1c1nnc(C(C)C)[nH]1 ZINC000351956219 379751003 /nfs/dbraw/zinc/75/10/03/379751003.db2.gz GGCRHMAKOHVZOY-CQSZACIVSA-N 1 1 292.427 3.048 20 30 CGEDMO C=CCOCCC[N@@H+]1CCCC[C@@H]1c1nnc(C(C)C)[nH]1 ZINC000351956219 379751012 /nfs/dbraw/zinc/75/10/12/379751012.db2.gz GGCRHMAKOHVZOY-CQSZACIVSA-N 1 1 292.427 3.048 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000352384148 379788896 /nfs/dbraw/zinc/78/88/96/379788896.db2.gz RRFXXJUTCMWLEH-RDJZCZTQSA-N 1 1 273.376 3.005 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000352384148 379788903 /nfs/dbraw/zinc/78/89/03/379788903.db2.gz RRFXXJUTCMWLEH-RDJZCZTQSA-N 1 1 273.376 3.005 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000267455103 190331881 /nfs/dbraw/zinc/33/18/81/190331881.db2.gz OZKSXTTZTNMLTI-QWHCGFSZSA-N 1 1 251.395 3.212 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CCC(=O)c1ccc(OC)cc1 ZINC000352420345 379808308 /nfs/dbraw/zinc/80/83/08/379808308.db2.gz BRYSDZFIUAPXIV-OAHLLOKOSA-N 1 1 273.376 3.309 20 30 CGEDMO C=C(CC)C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000398044435 379926530 /nfs/dbraw/zinc/92/65/30/379926530.db2.gz UYUYGZSZAXEMCI-SJLPKXTDSA-N 1 1 272.436 3.453 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)ccc1C#N ZINC000282190054 379870822 /nfs/dbraw/zinc/87/08/22/379870822.db2.gz GEGAWVAEPWIWQZ-INIZCTEOSA-N 1 1 281.359 3.232 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccc(CC#N)cc2)C[C@H](C)S1 ZINC000398990698 379933305 /nfs/dbraw/zinc/93/33/05/379933305.db2.gz LDNVAAUIUOKHLQ-BETUJISGSA-N 1 1 260.406 3.078 20 30 CGEDMO Cc1cc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](C)O)ccc1C#N ZINC000352891964 380022896 /nfs/dbraw/zinc/02/28/96/380022896.db2.gz GRRQJYFPNPZUGW-CRAIPNDOSA-N 1 1 286.419 3.382 20 30 CGEDMO C=CC[N@@H+](C)Cc1ccc(Sc2ccccn2)o1 ZINC000352972209 380061775 /nfs/dbraw/zinc/06/17/75/380061775.db2.gz HKDKEZVTVRMECR-UHFFFAOYSA-N 1 1 260.362 3.444 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(Sc2ccccn2)o1 ZINC000352972209 380061779 /nfs/dbraw/zinc/06/17/79/380061779.db2.gz HKDKEZVTVRMECR-UHFFFAOYSA-N 1 1 260.362 3.444 20 30 CGEDMO C[N@@H+](CCC1(C#N)CCCCC1)[C@@H]1CCSC1 ZINC000411408616 380144955 /nfs/dbraw/zinc/14/49/55/380144955.db2.gz QFKIMJDPBVWWRO-CYBMUJFWSA-N 1 1 252.427 3.288 20 30 CGEDMO C[C@@H](CN[C@H]1CCc2ccc(C#N)cc21)[N@@H+]1CCCC[C@H]1C ZINC000353424486 380206598 /nfs/dbraw/zinc/20/65/98/380206598.db2.gz HJTMEDXVYVTWLC-VCBZYWHSSA-N 1 1 297.446 3.398 20 30 CGEDMO C[C@@H](CN[C@H]1CCc2ccc(C#N)cc21)[N@H+]1CCCC[C@H]1C ZINC000353424486 380206600 /nfs/dbraw/zinc/20/66/00/380206600.db2.gz HJTMEDXVYVTWLC-VCBZYWHSSA-N 1 1 297.446 3.398 20 30 CGEDMO CC[C@@H]1CCCC[N@@H+]1CCN[C@H]1CCc2ccc(C#N)cc21 ZINC000353265659 380197789 /nfs/dbraw/zinc/19/77/89/380197789.db2.gz ZFJSVXBMZHKFGH-MJGOQNOKSA-N 1 1 297.446 3.400 20 30 CGEDMO CC[C@@H]1CCCC[N@H+]1CCN[C@H]1CCc2ccc(C#N)cc21 ZINC000353265659 380197794 /nfs/dbraw/zinc/19/77/94/380197794.db2.gz ZFJSVXBMZHKFGH-MJGOQNOKSA-N 1 1 297.446 3.400 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000411558952 380152015 /nfs/dbraw/zinc/15/20/15/380152015.db2.gz MSUFDCHEXMSMKE-RHSMWYFYSA-N 1 1 270.376 3.200 20 30 CGEDMO CC[N@@H+](CCOc1cccc(C#N)c1)CCC1CC1 ZINC000355030918 380569613 /nfs/dbraw/zinc/56/96/13/380569613.db2.gz FBYNTOYVDZFWGA-UHFFFAOYSA-N 1 1 258.365 3.059 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000355772273 380772421 /nfs/dbraw/zinc/77/24/21/380772421.db2.gz PXVSIXWSGYYQMX-KRWDZBQOSA-N 1 1 259.393 3.022 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)[C@H](CO)C1CCC1 ZINC000645985120 380793387 /nfs/dbraw/zinc/79/33/87/380793387.db2.gz KGWPGPLQUSIWED-QGZVFWFLSA-N 1 1 259.393 3.226 20 30 CGEDMO COc1ccccc1C1([NH2+]CC#Cc2ccccc2)CC1 ZINC000646001506 380795208 /nfs/dbraw/zinc/79/52/08/380795208.db2.gz OWJFCMIUVMJKGW-UHFFFAOYSA-N 1 1 277.367 3.326 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1C[C@H](C)[C@H](C)[C@H]1C ZINC000419368991 380816917 /nfs/dbraw/zinc/81/69/17/380816917.db2.gz GPUBZGYARODQKH-RWMBFGLXSA-N 1 1 258.365 3.043 20 30 CGEDMO CC1(C)[C@@H](c2ccccc2)CC[N@H+]1CCOCCC#N ZINC000421021578 380871057 /nfs/dbraw/zinc/87/10/57/380871057.db2.gz SUSCWXOOGBSFJN-MRXNPFEDSA-N 1 1 272.392 3.185 20 30 CGEDMO C=CCOCC[N@H+](CCCC)[C@H]1CCc2ncsc2C1 ZINC000646130348 380847309 /nfs/dbraw/zinc/84/73/09/380847309.db2.gz PTGNTYWIPLBDCW-AWEZNQCLSA-N 1 1 294.464 3.305 20 30 CGEDMO C[NH+](C)CC[C@H](NCc1ccc(C#N)c(F)c1)C(C)(C)C ZINC000421352441 380892774 /nfs/dbraw/zinc/89/27/74/380892774.db2.gz DHNQJFXVRPKVSV-INIZCTEOSA-N 1 1 291.414 3.153 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)cc1F ZINC000421360031 380894123 /nfs/dbraw/zinc/89/41/23/380894123.db2.gz YJMDNZQNRWPRRA-INIZCTEOSA-N 1 1 270.351 3.462 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421404905 380954852 /nfs/dbraw/zinc/95/48/52/380954852.db2.gz ZMOGZZDVKMZPGJ-MRXNPFEDSA-N 1 1 289.419 3.236 20 30 CGEDMO C[C@H](C1CCC1)[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000357025173 380996057 /nfs/dbraw/zinc/99/60/57/380996057.db2.gz PEWFHZYUJJIOOQ-LLVKDONJSA-N 1 1 291.420 3.069 20 30 CGEDMO C[C@@H]([N@@H+](C)CCCOc1cccc(C#N)c1)C1(C)CC1 ZINC000357272346 381089757 /nfs/dbraw/zinc/08/97/57/381089757.db2.gz LINQQAVWDRUXKY-CQSZACIVSA-N 1 1 272.392 3.448 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1c(C)nn(Cc2ccccc2)c1C ZINC000358283830 381300175 /nfs/dbraw/zinc/30/01/75/381300175.db2.gz VMGXJKXJINDAAG-QGZVFWFLSA-N 1 1 296.418 3.330 20 30 CGEDMO CC(C)CC[C@@H](O)C[N@@H+](CCC#N)CCC(C)C ZINC000361298036 381682778 /nfs/dbraw/zinc/68/27/78/381682778.db2.gz BTXPPNPDKSZDFZ-OAHLLOKOSA-N 1 1 254.418 3.045 20 30 CGEDMO C=CC[N@@H+](C)Cc1nc2ccc(Br)cc2o1 ZINC000361395848 381729652 /nfs/dbraw/zinc/72/96/52/381729652.db2.gz QIEGIOSEMZBJGG-UHFFFAOYSA-N 1 1 281.153 3.208 20 30 CGEDMO C=CC[N@H+](C)Cc1nc2ccc(Br)cc2o1 ZINC000361395848 381729659 /nfs/dbraw/zinc/72/96/59/381729659.db2.gz QIEGIOSEMZBJGG-UHFFFAOYSA-N 1 1 281.153 3.208 20 30 CGEDMO CCn1c2cc(F)ccc2[nH+]c1NCc1cccc(C#N)c1 ZINC000361650037 381857780 /nfs/dbraw/zinc/85/77/80/381857780.db2.gz KKCYJJZHDJEIDU-UHFFFAOYSA-N 1 1 294.333 3.101 20 30 CGEDMO C[C@H]1[C@@H](N2CCCC2)CC[N@@H+]1CCCCC(C)(C)C#N ZINC000367889641 382359732 /nfs/dbraw/zinc/35/97/32/382359732.db2.gz DIIFEZNFSZYAAN-HOTGVXAUSA-N 1 1 277.456 3.265 20 30 CGEDMO C[C@H]1[C@@H](N2CCCC2)CC[N@H+]1CCCCC(C)(C)C#N ZINC000367889641 382359737 /nfs/dbraw/zinc/35/97/37/382359737.db2.gz DIIFEZNFSZYAAN-HOTGVXAUSA-N 1 1 277.456 3.265 20 30 CGEDMO C[C@@H](Nc1[nH+]c2cccc(F)c2n1C)c1ccc(C#N)cc1 ZINC000443520370 533011971 /nfs/dbraw/zinc/01/19/71/533011971.db2.gz RDOBEQCXKBIGBY-LLVKDONJSA-N 1 1 294.333 3.179 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000335377127 208313954 /nfs/dbraw/zinc/31/39/54/208313954.db2.gz AHRYZEICLOHFSO-WMLDXEAASA-N 1 1 288.366 3.088 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)cc1F ZINC000335380749 208322851 /nfs/dbraw/zinc/32/28/51/208322851.db2.gz QGHTUERCADQKGY-RDJZCZTQSA-N 1 1 288.366 3.088 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)c1F ZINC000335381896 208324903 /nfs/dbraw/zinc/32/49/03/208324903.db2.gz WUUNPUHDOMWAEQ-HOTGVXAUSA-N 1 1 288.366 3.088 20 30 CGEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2F)C1(C)C ZINC000353773383 220321434 /nfs/dbraw/zinc/32/14/34/220321434.db2.gz BRTLMLWYBHOMDB-HZPDHXFCSA-N 1 1 290.382 3.333 20 30 CGEDMO COc1cc(C[NH2+]Cc2nc(C3CC3)cs2)ccc1C#N ZINC000281814693 195393262 /nfs/dbraw/zinc/39/32/62/195393262.db2.gz WJNISDFOXGVEKY-UHFFFAOYSA-N 1 1 299.399 3.191 20 30 CGEDMO COCc1ccccc1/C=C(\C)C[N@H+](C)[C@H](C)CC#N ZINC000351392844 533255126 /nfs/dbraw/zinc/25/51/26/533255126.db2.gz BILKDJSSHHYJNX-ATGUSINASA-N 1 1 272.392 3.470 20 30 CGEDMO COCc1ccccc1/C=C(\C)C[N@@H+](C)[C@H](C)CC#N ZINC000351392844 533255135 /nfs/dbraw/zinc/25/51/35/533255135.db2.gz BILKDJSSHHYJNX-ATGUSINASA-N 1 1 272.392 3.470 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+]1CCCc2occc2C1 ZINC000367994918 533270861 /nfs/dbraw/zinc/27/08/61/533270861.db2.gz WIUGUIHMXUICFM-UHFFFAOYSA-N 1 1 282.343 3.108 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCCc2occc2C1 ZINC000367994918 533270865 /nfs/dbraw/zinc/27/08/65/533270865.db2.gz WIUGUIHMXUICFM-UHFFFAOYSA-N 1 1 282.343 3.108 20 30 CGEDMO C[C@@H](CC[N@@H+](C)[C@@H](C)CC#N)OCc1ccccc1 ZINC000354850468 533573118 /nfs/dbraw/zinc/57/31/18/533573118.db2.gz MEFFOTVCZOLBIO-GJZGRUSLSA-N 1 1 260.381 3.216 20 30 CGEDMO Cc1nccn1CCC[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000189966867 130045237 /nfs/dbraw/zinc/04/52/37/130045237.db2.gz WPQPJCDPEGCVRK-CQSZACIVSA-N 1 1 282.391 3.146 20 30 CGEDMO C=CC[N@H+](CCC(=O)Nc1cc(N)ccc1F)C(C)(C)C ZINC000384637589 542602382 /nfs/dbraw/zinc/60/23/82/542602382.db2.gz IYQOBVIAUCQOLI-UHFFFAOYSA-N 1 1 293.386 3.023 20 30 CGEDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191358594 130226624 /nfs/dbraw/zinc/22/66/24/130226624.db2.gz RZJYHPAHLLTBFC-XPKDYRNWSA-N 1 1 257.381 3.050 20 30 CGEDMO C=CC[N@@H+](CCCCC#N)Cc1cccc(C#N)c1 ZINC000102398955 392272696 /nfs/dbraw/zinc/27/26/96/392272696.db2.gz KNBMFANMASUNPK-UHFFFAOYSA-N 1 1 253.349 3.240 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)c(F)c1)C[C@@H]1CC=CCC1 ZINC000361770566 392320041 /nfs/dbraw/zinc/32/00/41/392320041.db2.gz VVQAJIYACIAWPI-CYBMUJFWSA-N 1 1 258.340 3.485 20 30 CGEDMO CO[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000282371936 392289649 /nfs/dbraw/zinc/28/96/49/392289649.db2.gz NXJXHODDDGMKPZ-BBRMVZONSA-N 1 1 277.795 3.191 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000285822748 392335326 /nfs/dbraw/zinc/33/53/26/392335326.db2.gz GUOAMRRODQWRFP-OAGGEKHMSA-N 1 1 277.795 3.243 20 30 CGEDMO CCCO[C@H]1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC000108393346 392342074 /nfs/dbraw/zinc/34/20/74/392342074.db2.gz XRVQMZHKMDBUIS-KRWDZBQOSA-N 1 1 272.392 3.339 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)CC1CC(OCC)C1 ZINC000286052302 392369612 /nfs/dbraw/zinc/36/96/12/392369612.db2.gz RDUUQSXJGWSDRK-UHFFFAOYSA-N 1 1 275.367 3.076 20 30 CGEDMO C=CCCC[N@H+](C)Cc1nc(-c2ccccc2)no1 ZINC000121167303 392410942 /nfs/dbraw/zinc/41/09/42/392410942.db2.gz IQZJRKQEEYKETK-UHFFFAOYSA-N 1 1 257.337 3.135 20 30 CGEDMO C[C@@H]1CCC[N@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000124297478 392433792 /nfs/dbraw/zinc/43/37/92/392433792.db2.gz KFFPMPUUFBWQSX-OAHLLOKOSA-N 1 1 294.402 3.448 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cncc(OC)c1 ZINC000290317076 392444611 /nfs/dbraw/zinc/44/46/11/392444611.db2.gz OADXMPHXLJYDIA-UHFFFAOYSA-N 1 1 298.386 3.287 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cncc(OC)c1 ZINC000290317076 392444622 /nfs/dbraw/zinc/44/46/22/392444622.db2.gz OADXMPHXLJYDIA-UHFFFAOYSA-N 1 1 298.386 3.287 20 30 CGEDMO N#CCC1(CNC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000366792220 392457859 /nfs/dbraw/zinc/45/78/59/392457859.db2.gz SVXQQJAMEJHNFG-UHFFFAOYSA-N 1 1 275.440 3.067 20 30 CGEDMO CCC[C@H]1C[N@@H+]([C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000131935355 392458702 /nfs/dbraw/zinc/45/87/02/392458702.db2.gz VTVABUSQZMTJAR-BBRMVZONSA-N 1 1 258.365 3.120 20 30 CGEDMO CCC[C@H]1C[N@H+]([C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000131935355 392458712 /nfs/dbraw/zinc/45/87/12/392458712.db2.gz VTVABUSQZMTJAR-BBRMVZONSA-N 1 1 258.365 3.120 20 30 CGEDMO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)CCC(C)(C)C#N ZINC000119999692 392398864 /nfs/dbraw/zinc/39/88/64/392398864.db2.gz KBWICVHXMGKLNA-CZUORRHYSA-N 1 1 272.392 3.250 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000150880787 392481536 /nfs/dbraw/zinc/48/15/36/392481536.db2.gz FDZCKNQWUOCKSI-HNNXBMFYSA-N 1 1 278.371 3.030 20 30 CGEDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2CCCCC#N)C1 ZINC000373910612 392665830 /nfs/dbraw/zinc/66/58/30/392665830.db2.gz HABJQNBUFRRHQO-QZWWFDLISA-N 1 1 278.440 3.332 20 30 CGEDMO COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1CCCCC#N ZINC000374143153 392669756 /nfs/dbraw/zinc/66/97/56/392669756.db2.gz RMGSGJSFCLFCMK-CVEARBPZSA-N 1 1 292.423 3.124 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CCCO1 ZINC000178526609 392680868 /nfs/dbraw/zinc/68/08/68/392680868.db2.gz WSEXWXAGHYUTTA-AWEZNQCLSA-N 1 1 272.392 3.099 20 30 CGEDMO C[N@@H+](CCCC(C)(C)C#N)C[C@H]1COc2ccccc2O1 ZINC000174809275 392645864 /nfs/dbraw/zinc/64/58/64/392645864.db2.gz VCEQBQQMXPUBSE-AWEZNQCLSA-N 1 1 288.391 3.088 20 30 CGEDMO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000334493791 392732774 /nfs/dbraw/zinc/73/27/74/392732774.db2.gz PMKNTKAJHQRPPW-RISCZKNCSA-N 1 1 257.312 3.089 20 30 CGEDMO C=C(C)COc1cc(C[N@H+](C)[C@H](C)COC)ccc1OC ZINC000179373843 392699534 /nfs/dbraw/zinc/69/95/34/392699534.db2.gz UGOUJFMRPFDIDV-CQSZACIVSA-N 1 1 293.407 3.117 20 30 CGEDMO COC[C@H]([NH2+]Cc1ccc(C#N)cc1C)c1ccc(C)o1 ZINC000186328088 392783066 /nfs/dbraw/zinc/78/30/66/392783066.db2.gz JBLCQSUUZRHYSA-INIZCTEOSA-N 1 1 284.359 3.245 20 30 CGEDMO CC[N@H+](C[C@@H](C)C#N)C[C@H]1CCC2(CCCCC2)O1 ZINC000190951239 392819425 /nfs/dbraw/zinc/81/94/25/392819425.db2.gz WKWQWMMHPRDDGW-LSDHHAIUSA-N 1 1 264.413 3.350 20 30 CGEDMO CC[N@@H+](C[C@@H](C)C#N)C[C@H]1CCC2(CCCCC2)O1 ZINC000190951239 392819428 /nfs/dbraw/zinc/81/94/28/392819428.db2.gz WKWQWMMHPRDDGW-LSDHHAIUSA-N 1 1 264.413 3.350 20 30 CGEDMO CC[C@@H](CC#N)NCc1ccccc1C[NH2+][C@@H](CC)CC#N ZINC000519648842 392877552 /nfs/dbraw/zinc/87/75/52/392877552.db2.gz OSOVSOMCOCTAKZ-ROUUACIJSA-N 1 1 298.434 3.250 20 30 CGEDMO C=C(CC)C[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000338593406 392922634 /nfs/dbraw/zinc/92/26/34/392922634.db2.gz RROOEZINMDXEGJ-UHFFFAOYSA-N 1 1 282.391 3.198 20 30 CGEDMO COc1c(C)cc(C[N@@H+](C)[C@@H]2CC[C@@H](C#N)C2)cc1C ZINC000338956304 392937420 /nfs/dbraw/zinc/93/74/20/392937420.db2.gz WVOXANDLWJRZQS-GDBMZVCRSA-N 1 1 272.392 3.436 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@H]1c1ccc(OCC)cc1 ZINC000338882421 392933796 /nfs/dbraw/zinc/93/37/96/392933796.db2.gz HSGJYDBUDIFHKX-KRWDZBQOSA-N 1 1 275.392 3.425 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)Nc1ccc2nc(N(C)C)[nH]c2c1 ZINC000338926529 392935444 /nfs/dbraw/zinc/93/54/44/392935444.db2.gz ORBUTLSKUUQWHL-LLVKDONJSA-N 1 1 286.379 3.170 20 30 CGEDMO N#CCCOCC[N@H+]1CCC[C@H]1CC1CCCCC1 ZINC000338942690 392936014 /nfs/dbraw/zinc/93/60/14/392936014.db2.gz VKTLWBVOVINVLY-INIZCTEOSA-N 1 1 264.413 3.351 20 30 CGEDMO COc1ccc(C[N@H+]2C[C@H](C)[C@H](C)[C@@H]2C)cc1C#N ZINC000399513998 392945078 /nfs/dbraw/zinc/94/50/78/392945078.db2.gz ADKVZNSNIBAFCV-AVGNSLFASA-N 1 1 258.365 3.043 20 30 CGEDMO C[C@@H]1C[N@@H+](CCOCCC#N)CC[C@H]1c1ccccc1 ZINC000339005756 392940001 /nfs/dbraw/zinc/94/00/01/392940001.db2.gz WWTQQHZTEKHVEE-NVXWUHKLSA-N 1 1 272.392 3.042 20 30 CGEDMO C=CCOCC[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000339027701 392942005 /nfs/dbraw/zinc/94/20/05/392942005.db2.gz QCKZUSYJMGQHBS-KRWDZBQOSA-N 1 1 257.377 3.341 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](c3c(F)cccc3F)C2)C1 ZINC000339095161 392949822 /nfs/dbraw/zinc/94/98/22/392949822.db2.gz JMJFGRBOGWDQCX-FRRDWIJNSA-N 1 1 276.330 3.446 20 30 CGEDMO CN(C)C1(C[N@H+](C)CCC2(C#N)CCCCC2)CCC1 ZINC000411617134 392982300 /nfs/dbraw/zinc/98/23/00/392982300.db2.gz TYMBXPQNHQPIAG-UHFFFAOYSA-N 1 1 277.456 3.267 20 30 CGEDMO CN(C)C1(C[N@@H+](C)CCC2(C#N)CCCCC2)CCC1 ZINC000411617134 392982306 /nfs/dbraw/zinc/98/23/06/392982306.db2.gz TYMBXPQNHQPIAG-UHFFFAOYSA-N 1 1 277.456 3.267 20 30 CGEDMO N#CC1(CC[N@@H+]2CCCCC[C@H]2CCO)CCCCC1 ZINC000411700871 392987075 /nfs/dbraw/zinc/98/70/75/392987075.db2.gz OHKZDIZEVMGUGD-INIZCTEOSA-N 1 1 278.440 3.478 20 30 CGEDMO C[C@@H]1CC(C)(C)C[N@H+]1CCCC1(C#N)CCOCC1 ZINC000412050115 392995582 /nfs/dbraw/zinc/99/55/82/392995582.db2.gz XITDUHCMZUWRGE-CQSZACIVSA-N 1 1 264.413 3.207 20 30 CGEDMO C[C@H]1SCC[N@H+](CC2(C#N)CC2)[C@@H]1c1ccccc1 ZINC000343315903 393025087 /nfs/dbraw/zinc/02/50/87/393025087.db2.gz RUUZGXPXOYCKDP-HIFRSBDPSA-N 1 1 272.417 3.469 20 30 CGEDMO C[C@H]1SCC[N@@H+](CC2(C#N)CC2)[C@@H]1c1ccccc1 ZINC000343315903 393025093 /nfs/dbraw/zinc/02/50/93/393025093.db2.gz RUUZGXPXOYCKDP-HIFRSBDPSA-N 1 1 272.417 3.469 20 30 CGEDMO N#CC1(C[N@@H+](Cc2ccc(F)cc2)CC2CC2)CC1 ZINC000343316551 393026822 /nfs/dbraw/zinc/02/68/22/393026822.db2.gz STXAXIIOIUIDTK-UHFFFAOYSA-N 1 1 258.340 3.341 20 30 CGEDMO C[N@@H+](CCc1ccccc1O)CC(C)(C)CCC#N ZINC000346390247 393087319 /nfs/dbraw/zinc/08/73/19/393087319.db2.gz NOFQXTBUJAGPNY-UHFFFAOYSA-N 1 1 260.381 3.196 20 30 CGEDMO C[C@H](CCC#N)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000351222109 393167969 /nfs/dbraw/zinc/16/79/69/393167969.db2.gz GLNGLRRALQAKOF-XBMZPMPPSA-N 1 1 283.419 3.010 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2ccc(F)cc2)cc1 ZINC000253394705 393130712 /nfs/dbraw/zinc/13/07/12/393130712.db2.gz JMCNBXQJWLOGBB-MSOLQXFVSA-N 1 1 296.345 3.005 20 30 CGEDMO Cc1ccc(C[N@@H+](CCN(C)C)CC(C)(C)CCC#N)o1 ZINC000349038371 393136658 /nfs/dbraw/zinc/13/66/58/393136658.db2.gz UUHCBPFLJLHIMD-UHFFFAOYSA-N 1 1 291.439 3.282 20 30 CGEDMO Cc1ccc(C[N@H+](CCN(C)C)CC(C)(C)CCC#N)o1 ZINC000349038371 393136662 /nfs/dbraw/zinc/13/66/62/393136662.db2.gz UUHCBPFLJLHIMD-UHFFFAOYSA-N 1 1 291.439 3.282 20 30 CGEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2cccc(C#N)n2)C1 ZINC000270027758 393234776 /nfs/dbraw/zinc/23/47/76/393234776.db2.gz GDNOVXGWUYAMHL-HOTGVXAUSA-N 1 1 298.434 3.044 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cccc(C#N)c1 ZINC000352795154 393209751 /nfs/dbraw/zinc/20/97/51/393209751.db2.gz SHWZMYNOQWBWJR-UHFFFAOYSA-N 1 1 296.370 3.222 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cccc(C#N)c1 ZINC000352795154 393209761 /nfs/dbraw/zinc/20/97/61/393209761.db2.gz SHWZMYNOQWBWJR-UHFFFAOYSA-N 1 1 296.370 3.222 20 30 CGEDMO C=CC[N@@H+](C)[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000355273037 393285625 /nfs/dbraw/zinc/28/56/25/393285625.db2.gz HTVZAQGTTOBZDQ-CYBMUJFWSA-N 1 1 299.201 3.217 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC000355273037 393285632 /nfs/dbraw/zinc/28/56/32/393285632.db2.gz HTVZAQGTTOBZDQ-CYBMUJFWSA-N 1 1 299.201 3.217 20 30 CGEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1ccc(O)cc1 ZINC000739930239 572616531 /nfs/dbraw/zinc/61/65/31/572616531.db2.gz KWQUUWUBGYCXSO-UHFFFAOYSA-N 1 1 276.380 3.009 20 30 CGEDMO COc1cc(C[N@H+]2CC(C)(C)[C@H]2C2CC2)ccc1C#N ZINC000356280625 393406263 /nfs/dbraw/zinc/40/62/63/393406263.db2.gz KTCXDVJUZYSIOD-MRXNPFEDSA-N 1 1 270.376 3.187 20 30 CGEDMO Cc1cc(C[N@H+](C)[C@H](C)c2cccnc2)ccc1C#N ZINC000488162943 393465993 /nfs/dbraw/zinc/46/59/93/393465993.db2.gz YASLXYPNDPBSNU-CQSZACIVSA-N 1 1 265.360 3.455 20 30 CGEDMO C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000430179136 393533752 /nfs/dbraw/zinc/53/37/52/393533752.db2.gz NQIOXTWCYAUKRN-DJIMGWMZSA-N 1 1 299.418 3.233 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](CCO)CC1 ZINC000421014720 393575083 /nfs/dbraw/zinc/57/50/83/393575083.db2.gz KWBAVZZANMNKLA-CABCVRRESA-N 1 1 272.392 3.104 20 30 CGEDMO C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C1(C)CCCC1 ZINC000489881381 393619257 /nfs/dbraw/zinc/61/92/57/393619257.db2.gz HSAFPMSWFUQIGG-UHFFFAOYSA-N 1 1 296.374 3.373 20 30 CGEDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C[C@H](C)C1 ZINC000443643012 393768710 /nfs/dbraw/zinc/76/87/10/393768710.db2.gz QGJMBSORDOAXMU-LSDHHAIUSA-N 1 1 299.418 3.255 20 30 CGEDMO N#Cc1cccc(C[NH2+]Cc2cnc(C(F)(F)F)s2)c1 ZINC000443989351 393780167 /nfs/dbraw/zinc/78/01/67/393780167.db2.gz QLYUIQZIQWZMKE-UHFFFAOYSA-N 1 1 297.305 3.323 20 30 CGEDMO CCC(CC)[C@@H](CNCc1ccc(C#N)c(C)c1)[NH+](C)C ZINC000443988682 393780536 /nfs/dbraw/zinc/78/05/36/393780536.db2.gz JAYGFHYSCJEKJN-GOSISDBHSA-N 1 1 287.451 3.323 20 30 CGEDMO CC(C)[C@@H]1C[N@H+](Cc2nc(C#N)cs2)[C@H]1C(C)C ZINC000449557024 393901979 /nfs/dbraw/zinc/90/19/79/393901979.db2.gz UCWHGGZPTXYYIE-JSGCOSHPSA-N 1 1 263.410 3.127 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](Cc2nc(C#N)cs2)[C@H]1C(C)C ZINC000449557024 393901983 /nfs/dbraw/zinc/90/19/83/393901983.db2.gz UCWHGGZPTXYYIE-JSGCOSHPSA-N 1 1 263.410 3.127 20 30 CGEDMO C=CC[C@H]1CCCN(C(=O)Nc2cc(C)c3[nH+]ccn3c2)C1 ZINC000667148276 542848037 /nfs/dbraw/zinc/84/80/37/542848037.db2.gz VHBPQOVMQKMKAD-AWEZNQCLSA-N 1 1 298.390 3.463 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(COC)cs1 ZINC000668078766 542966352 /nfs/dbraw/zinc/96/63/52/542966352.db2.gz UIHQMRIASLSQGL-ZDUSSCGKSA-N 1 1 251.395 3.435 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2cnnn2Cc2ccccc2)C1 ZINC000668494378 543020960 /nfs/dbraw/zinc/02/09/60/543020960.db2.gz YJZZVZWJGYIFEP-MRXNPFEDSA-N 1 1 296.418 3.115 20 30 CGEDMO COCC#CC[N@H+]1C[C@@H](C)CC[C@@H]1c1ccccc1 ZINC000671722792 543181291 /nfs/dbraw/zinc/18/12/91/543181291.db2.gz WQOIXOPFERGYRD-DOTOQJQBSA-N 1 1 257.377 3.109 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000117872533 397655752 /nfs/dbraw/zinc/65/57/52/397655752.db2.gz AHQKOZSXMWUKSY-UHFFFAOYSA-N 1 1 274.408 3.448 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000117873709 397655781 /nfs/dbraw/zinc/65/57/81/397655781.db2.gz CBXFAUFQMZUHOG-OAHLLOKOSA-N 1 1 287.407 3.007 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000735490655 572726068 /nfs/dbraw/zinc/72/60/68/572726068.db2.gz MZZQJHSPZNPJGP-CQSZACIVSA-N 1 1 295.448 3.439 20 30 CGEDMO CC1(C)C[N@H+](CC#Cc2ccc(F)cc2)C(C)(C)CO1 ZINC000676593287 543406696 /nfs/dbraw/zinc/40/66/96/543406696.db2.gz CNLYBXXGDKQFJK-UHFFFAOYSA-N 1 1 275.367 3.067 20 30 CGEDMO CC1(C)C[N@@H+](CC#Cc2ccc(F)cc2)C(C)(C)CO1 ZINC000676593287 543406698 /nfs/dbraw/zinc/40/66/98/543406698.db2.gz CNLYBXXGDKQFJK-UHFFFAOYSA-N 1 1 275.367 3.067 20 30 CGEDMO C=CC[N@@H+](C[C@H](O)COc1cccc2ccccc21)C(C)C ZINC000678889128 543569815 /nfs/dbraw/zinc/56/98/15/543569815.db2.gz HQZRBHWEDGLNDF-KRWDZBQOSA-N 1 1 299.414 3.476 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)cc1C#N ZINC000087833449 165191202 /nfs/dbraw/zinc/19/12/02/165191202.db2.gz ZJHCYMIRCLKDRK-ZBFHGGJFSA-N 1 1 270.376 3.331 20 30 CGEDMO N#Cc1ccc(F)c(C[NH2+]Cc2cccc(F)c2)c1 ZINC000020473605 171217454 /nfs/dbraw/zinc/21/74/54/171217454.db2.gz NDSYSVKCVCQCPV-UHFFFAOYSA-N 1 1 258.271 3.126 20 30 CGEDMO C[N@H+]1CCC[C@H](CNc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000044539063 175201080 /nfs/dbraw/zinc/20/10/80/175201080.db2.gz DTLFTUDSYHQPGQ-LLVKDONJSA-N 1 1 297.324 3.331 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000342734302 416541405 /nfs/dbraw/zinc/54/14/05/416541405.db2.gz JPYFFTDBAXNMIM-CHWSQXEVSA-N 1 1 294.826 3.414 20 30 CGEDMO C=CCCO[C@@H](C)c1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1 ZINC000680778608 543734555 /nfs/dbraw/zinc/73/45/55/543734555.db2.gz OZYPDWNPGPVGOE-FUDCBSFHSA-N 1 1 291.395 3.064 20 30 CGEDMO C=C(C)[C@H](CO)[NH2+][C@H](CC)c1nc(C(F)(F)F)cs1 ZINC000680401817 543708444 /nfs/dbraw/zinc/70/84/44/543708444.db2.gz OBRBVFPNJQGGIQ-BDAKNGLRSA-N 1 1 294.342 3.140 20 30 CGEDMO C=CC[N@H+](C)Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000681758217 543806446 /nfs/dbraw/zinc/80/64/46/543806446.db2.gz MWHIVGCRXUXQNS-UHFFFAOYSA-N 1 1 281.359 3.451 20 30 CGEDMO C=CCCn1cc(C[NH+]2CCC(c3ccccc3)CC2)nn1 ZINC000653483314 419035515 /nfs/dbraw/zinc/03/55/15/419035515.db2.gz GIHJOSBEGITGMR-UHFFFAOYSA-N 1 1 296.418 3.234 20 30 CGEDMO C=CC[N@H+](CCCC(=O)NCC(C)C)Cc1cccs1 ZINC000659816864 418998689 /nfs/dbraw/zinc/99/86/89/418998689.db2.gz VSKYQQJHQBNFOO-UHFFFAOYSA-N 1 1 294.464 3.289 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H](COC)OC ZINC000659817570 418998859 /nfs/dbraw/zinc/99/88/59/418998859.db2.gz KXPBAEATMIXHBL-NSHDSACASA-N 1 1 289.828 3.051 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CC[C@@H](c3cccc(C)c3)C2)nn1 ZINC000653612912 419059195 /nfs/dbraw/zinc/05/91/95/419059195.db2.gz MCHBPBAEJLQIMM-QGZVFWFLSA-N 1 1 296.418 3.152 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CC[C@H](c3cccc(C)c3)C2)nn1 ZINC000653612911 419060116 /nfs/dbraw/zinc/06/01/16/419060116.db2.gz MCHBPBAEJLQIMM-KRWDZBQOSA-N 1 1 296.418 3.152 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000665183472 419073893 /nfs/dbraw/zinc/07/38/93/419073893.db2.gz IVEAQLWBOBWBAK-IAGOWNOFSA-N 1 1 271.404 3.193 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Cl)c(OC)c1)[C@@H](C)COC ZINC000661240305 419243023 /nfs/dbraw/zinc/24/30/23/419243023.db2.gz NHBVWGTUEWANLC-LBPRGKRZSA-N 1 1 283.799 3.372 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(SC)c(OC)c1)[C@@H](C)COC ZINC000661243112 419244117 /nfs/dbraw/zinc/24/41/17/419244117.db2.gz JEOQFUAPHOQQMS-ZDUSSCGKSA-N 1 1 295.448 3.440 20 30 CGEDMO C[C@H](CO)[C@@H]1CCCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000661432476 419259000 /nfs/dbraw/zinc/25/90/00/419259000.db2.gz BMYPLVYIXOZXRU-PBHICJAKSA-N 1 1 291.822 3.174 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](CCC(=O)c2ccc(F)cc2)C1 ZINC000661154133 419235240 /nfs/dbraw/zinc/23/52/40/419235240.db2.gz OFBOOUMAVIQAND-CYBMUJFWSA-N 1 1 274.339 3.024 20 30 CGEDMO C=CC[N@@H+](C[C@@H](O)COc1ccccc1Cl)C(C)(C)C ZINC000661755671 419295137 /nfs/dbraw/zinc/29/51/37/419295137.db2.gz XPGFIDACLBCTPI-CYBMUJFWSA-N 1 1 297.826 3.366 20 30 CGEDMO C=CC[N@H+](CC(=O)N(C)Cc1ccc(F)cc1)C(C)(C)C ZINC000661755120 419295201 /nfs/dbraw/zinc/29/52/01/419295201.db2.gz KIXNDFRZFSCDLJ-UHFFFAOYSA-N 1 1 292.398 3.071 20 30 CGEDMO C=CC[N@@H+](C[C@@H]1CN(c2ccccc2)CCO1)C(C)(C)C ZINC000661758247 419296067 /nfs/dbraw/zinc/29/60/67/419296067.db2.gz QEDDKBOPDUAIOB-KRWDZBQOSA-N 1 1 288.435 3.178 20 30 CGEDMO N#Cc1ccc(C[NH+]2CCC3(CCCC3=O)CC2)cc1F ZINC000661958910 419315214 /nfs/dbraw/zinc/31/52/14/419315214.db2.gz ZWRPUGHJIHQDNL-UHFFFAOYSA-N 1 1 286.350 3.033 20 30 CGEDMO C[C@H](C#N)C[N@H+](C)CCc1ccc(F)cc1Cl ZINC000356081732 228113524 /nfs/dbraw/zinc/11/35/24/228113524.db2.gz GJOMMNWYHKISGE-SNVBAGLBSA-N 1 1 254.736 3.113 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C)CCc1ccc(F)cc1Cl ZINC000356081732 228113527 /nfs/dbraw/zinc/11/35/27/228113527.db2.gz GJOMMNWYHKISGE-SNVBAGLBSA-N 1 1 254.736 3.113 20 30 CGEDMO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cc1nc(C#N)cs1 ZINC000356139520 228136582 /nfs/dbraw/zinc/13/65/82/228136582.db2.gz SQHJSXSSXGBNOH-UKRRQHHQSA-N 1 1 297.427 3.468 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(-c2ccccc2)no1 ZINC000662077607 419332523 /nfs/dbraw/zinc/33/25/23/419332523.db2.gz CXVIVNXCIMODHJ-GASCZTMLSA-N 1 1 281.359 3.420 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1nc(C(C)C)no1 ZINC000662080216 419333606 /nfs/dbraw/zinc/33/36/06/419333606.db2.gz NZXQLBXICWTZTG-RWMBFGLXSA-N 1 1 261.369 3.437 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(OC)cc(C)n1 ZINC000662087773 419334888 /nfs/dbraw/zinc/33/48/88/419334888.db2.gz KHPTZAXEHMRVAO-GASCZTMLSA-N 1 1 258.365 3.082 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC2CC1(c1ccccc1)C2 ZINC000662335487 419395038 /nfs/dbraw/zinc/39/50/38/419395038.db2.gz KQHVINGZEOQBSV-UHFFFAOYSA-N 1 1 298.430 3.032 20 30 CGEDMO C[C@H]1C[NH+](Cc2cccc(C#N)c2F)C[C@H](C)S1 ZINC000219523922 287629107 /nfs/dbraw/zinc/62/91/07/287629107.db2.gz JGUYIQAZWDAACP-QWRGUYRKSA-N 1 1 264.369 3.023 20 30 CGEDMO N#CCCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000370678490 260002421 /nfs/dbraw/zinc/00/24/21/260002421.db2.gz WZEBMISRSPLGNK-RTBURBONSA-N 1 1 297.446 3.134 20 30 CGEDMO N#CCCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000370678490 260002422 /nfs/dbraw/zinc/00/24/22/260002422.db2.gz WZEBMISRSPLGNK-RTBURBONSA-N 1 1 297.446 3.134 20 30 CGEDMO N#CCCCC[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000370678490 260002424 /nfs/dbraw/zinc/00/24/24/260002424.db2.gz WZEBMISRSPLGNK-RTBURBONSA-N 1 1 297.446 3.134 20 30 CGEDMO N#CCCCC[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000370678490 260002425 /nfs/dbraw/zinc/00/24/25/260002425.db2.gz WZEBMISRSPLGNK-RTBURBONSA-N 1 1 297.446 3.134 20 30 CGEDMO C=CCOc1ccc(C[NH+]2CC(C(C)(C)O)C2)cc1Cl ZINC000297382600 260125963 /nfs/dbraw/zinc/12/59/63/260125963.db2.gz JOUHSHYKJGWLLU-UHFFFAOYSA-N 1 1 295.810 3.108 20 30 CGEDMO C[C@@]12CC[N@@H+](CC#Cc3ccccc3)C[C@@H]1C2(F)F ZINC000298212617 260147608 /nfs/dbraw/zinc/14/76/08/260147608.db2.gz DRDHKBQDXOSMOJ-LSDHHAIUSA-N 1 1 261.315 3.015 20 30 CGEDMO C[N@@H+]1CCN(CCCC(C)(C)C#N)[C@@H](c2ccccc2)C1 ZINC000087608405 260215460 /nfs/dbraw/zinc/21/54/60/260215460.db2.gz JSNNGACXMPIELU-QGZVFWFLSA-N 1 1 285.435 3.305 20 30 CGEDMO C[N@H+]1CCN(CCCC(C)(C)C#N)[C@@H](c2ccccc2)C1 ZINC000087608405 260215462 /nfs/dbraw/zinc/21/54/62/260215462.db2.gz JSNNGACXMPIELU-QGZVFWFLSA-N 1 1 285.435 3.305 20 30 CGEDMO CC[N@@H+](CCCSCC#N)Cc1ccc(OC)cc1 ZINC000080627277 260317387 /nfs/dbraw/zinc/31/73/87/260317387.db2.gz PBWDRVSRKKVCEE-UHFFFAOYSA-N 1 1 278.421 3.164 20 30 CGEDMO CCOC(=O)C[N@H+](CCCCC#N)[C@H](C)c1ccccc1 ZINC000119087531 260691401 /nfs/dbraw/zinc/69/14/01/260691401.db2.gz QONLECVXMPQTIS-OAHLLOKOSA-N 1 1 288.391 3.307 20 30 CGEDMO CCOC(=O)C[N@@H+](CCCCC#N)[C@H](C)c1ccccc1 ZINC000119087531 260691403 /nfs/dbraw/zinc/69/14/03/260691403.db2.gz QONLECVXMPQTIS-OAHLLOKOSA-N 1 1 288.391 3.307 20 30 CGEDMO CCc1nc2c(s1)[C@H]([N@@H+](C)CCCC#N)CCC2 ZINC000152687558 261068039 /nfs/dbraw/zinc/06/80/39/261068039.db2.gz LJLNMTIYUSYTOD-GFCCVEGCSA-N 1 1 263.410 3.318 20 30 CGEDMO N#CCSCCC[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000173900226 261173080 /nfs/dbraw/zinc/17/30/80/261173080.db2.gz DHIOAMVHJSONGL-HNNXBMFYSA-N 1 1 282.453 3.057 20 30 CGEDMO Cc1ncc(C[N@@H+](C)CCCC(C)(C)C#N)s1 ZINC000174823096 261197013 /nfs/dbraw/zinc/19/70/13/261197013.db2.gz UWRQNPBLZLOMQG-UHFFFAOYSA-N 1 1 251.399 3.213 20 30 CGEDMO COc1ccccc1CC[N@@H+](C)CCCC(C)(C)C#N ZINC000174847584 261199676 /nfs/dbraw/zinc/19/96/76/261199676.db2.gz KHZRBAFRHWMRSD-UHFFFAOYSA-N 1 1 274.408 3.499 20 30 CGEDMO COc1ccc(C[N@@H+](C)CCCC(C)(C)C#N)cc1O ZINC000177221105 261340382 /nfs/dbraw/zinc/34/03/82/261340382.db2.gz DRVHAZROIZUKOE-UHFFFAOYSA-N 1 1 276.380 3.163 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc2c(c1)COC(C)(C)O2 ZINC000187523498 262139248 /nfs/dbraw/zinc/13/92/48/262139248.db2.gz IRUAYCICHFPXEK-CQSZACIVSA-N 1 1 274.364 3.114 20 30 CGEDMO C[N@@H+](CCCC#N)CCOc1ccc(C(F)(F)F)cc1 ZINC000190363728 262182088 /nfs/dbraw/zinc/18/20/88/262182088.db2.gz YGDCOVBSZQLFSU-UHFFFAOYSA-N 1 1 286.297 3.320 20 30 CGEDMO C[C@@H]1CC[C@@H](C)[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337189438 262430592 /nfs/dbraw/zinc/43/05/92/262430592.db2.gz RGLOXSHDYQDHAX-HUUCEWRRSA-N 1 1 264.413 3.207 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1C ZINC000271067122 262992256 /nfs/dbraw/zinc/99/22/56/262992256.db2.gz UPSSXWUBCWLTES-UONOGXRCSA-N 1 1 258.365 3.067 20 30 CGEDMO COc1ccc(C[C@@H](C)C[N@@H+](C)C[C@@H](C)C#N)cc1F ZINC000274707700 263029586 /nfs/dbraw/zinc/02/95/86/263029586.db2.gz ZOPLQNRKLSQPFR-OLZOCXBDSA-N 1 1 278.371 3.104 20 30 CGEDMO N#CCCCC[N@H+]1CCC[C@H]1c1nc2c([nH]1)CCCC2 ZINC000275913203 263034360 /nfs/dbraw/zinc/03/43/60/263034360.db2.gz JIQXBAOGPZKISK-HNNXBMFYSA-N 1 1 272.396 3.119 20 30 CGEDMO CO[C@H](C)c1nc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)cs1 ZINC000278908079 263051744 /nfs/dbraw/zinc/05/17/44/263051744.db2.gz ZXAIWOJZGGFGEQ-UTUOFQBUSA-N 1 1 279.409 3.022 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@H](C2CC2)O1 ZINC000279407581 263055394 /nfs/dbraw/zinc/05/53/94/263055394.db2.gz VQRSBLAGKBUZEO-RDTXWAMCSA-N 1 1 298.430 3.487 20 30 CGEDMO CC[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccccn1 ZINC000282119029 263074485 /nfs/dbraw/zinc/07/44/85/263074485.db2.gz XRSZNMFGWCDIKA-UHFFFAOYSA-N 1 1 287.407 3.004 20 30 CGEDMO N#CCCC[NH2+]Cc1c(F)cccc1OC(F)(F)F ZINC000283918424 263084894 /nfs/dbraw/zinc/08/48/94/263084894.db2.gz KZMUMCPQLSZFKE-UHFFFAOYSA-N 1 1 276.233 3.118 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000285404000 263092811 /nfs/dbraw/zinc/09/28/11/263092811.db2.gz OZTUPVXZHFEYHL-CQSZACIVSA-N 1 1 260.385 3.267 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000291814564 263125719 /nfs/dbraw/zinc/12/57/19/263125719.db2.gz NOYXIDUADYDLJW-MRXNPFEDSA-N 1 1 294.402 3.131 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@@H+]2CCc3[nH]c4ccccc4c3C2)C1 ZINC000292879232 263136005 /nfs/dbraw/zinc/13/60/05/263136005.db2.gz TYYNYXQIRNWEFN-CHWSQXEVSA-N 1 1 265.360 3.218 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCc3[nH]c4ccccc4c3C2)C1 ZINC000292879232 263136006 /nfs/dbraw/zinc/13/60/06/263136006.db2.gz TYYNYXQIRNWEFN-CHWSQXEVSA-N 1 1 265.360 3.218 20 30 CGEDMO N#CCCOCC[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000293293272 263139247 /nfs/dbraw/zinc/13/92/47/263139247.db2.gz YZVIJTMQRCQRMQ-CQSZACIVSA-N 1 1 278.783 3.060 20 30 CGEDMO Cc1cccc([C@H]2CCC[N@H+]2CCOCCC#N)c1 ZINC000293462222 263141049 /nfs/dbraw/zinc/14/10/49/263141049.db2.gz LGSQPCJGUZTGBD-MRXNPFEDSA-N 1 1 258.365 3.062 20 30 CGEDMO CC1(C)C[N@@H+](CCOCCC#N)[C@@H]1c1cccs1 ZINC000293518044 263142298 /nfs/dbraw/zinc/14/22/98/263142298.db2.gz IKQXPKKTXQOOKE-CYBMUJFWSA-N 1 1 264.394 3.061 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@](C)(F)C2)cc1 ZINC000295968044 263184253 /nfs/dbraw/zinc/18/42/53/263184253.db2.gz IGMFNGSMAQABHT-QGZVFWFLSA-N 1 1 289.398 3.360 20 30 CGEDMO CS[C@@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000296357747 263190799 /nfs/dbraw/zinc/19/07/99/263190799.db2.gz QRSWPFNPFNFLSX-CQSZACIVSA-N 1 1 274.433 3.425 20 30 CGEDMO C[C@H](CCC#N)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000298526305 263221485 /nfs/dbraw/zinc/22/14/85/263221485.db2.gz LULKDWIZINWVGD-OAHLLOKOSA-N 1 1 294.402 3.049 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000299186512 263234009 /nfs/dbraw/zinc/23/40/09/263234009.db2.gz AMTNSHPHHQSLAJ-QWHCGFSZSA-N 1 1 278.783 3.485 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000340903308 263308725 /nfs/dbraw/zinc/30/87/25/263308725.db2.gz NSFKKCPTROHJOG-GDBMZVCRSA-N 1 1 260.381 3.280 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000340955733 263313882 /nfs/dbraw/zinc/31/38/82/263313882.db2.gz SWWSNYKDMWYSQP-GJZGRUSLSA-N 1 1 261.413 3.344 20 30 CGEDMO COCC1(C#N)CC[NH+]([C@H](C)c2nc3ccccc3o2)CC1 ZINC000341979597 263370190 /nfs/dbraw/zinc/37/01/90/263370190.db2.gz BNXCDKRVWKSPQM-CYBMUJFWSA-N 1 1 299.374 3.141 20 30 CGEDMO C=C1CC[NH+]([C@@H](C)C(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000342010940 263377992 /nfs/dbraw/zinc/37/79/92/263377992.db2.gz SMSGNWLHBKLDGI-HNNXBMFYSA-N 1 1 272.392 3.282 20 30 CGEDMO C=C1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccccc2C)CC1 ZINC000341992065 263382051 /nfs/dbraw/zinc/38/20/51/263382051.db2.gz HZKCFTKGBLXKFM-HZPDHXFCSA-N 1 1 286.419 3.213 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccn(-c2c(F)cccc2F)n1 ZINC000342741905 263471983 /nfs/dbraw/zinc/47/19/83/263471983.db2.gz ZFZOFHIWNJTGEA-UHFFFAOYSA-N 1 1 277.318 3.158 20 30 CGEDMO COc1ccc([C@@H]2CCC[N@@H+]2CC2(C#N)CC2)cc1 ZINC000343253011 264122742 /nfs/dbraw/zinc/12/27/42/264122742.db2.gz SIZGILXPYKNFAQ-HNNXBMFYSA-N 1 1 256.349 3.136 20 30 CGEDMO COc1ccc([C@@H]2CCC[N@H+]2CC2(C#N)CC2)cc1 ZINC000343253011 264122745 /nfs/dbraw/zinc/12/27/45/264122745.db2.gz SIZGILXPYKNFAQ-HNNXBMFYSA-N 1 1 256.349 3.136 20 30 CGEDMO C#CCOc1ccc([C@H](C)[NH2+]Cc2nccs2)cc1 ZINC000128154683 264273874 /nfs/dbraw/zinc/27/38/74/264273874.db2.gz DJJULEGUPLFIES-LBPRGKRZSA-N 1 1 272.373 3.006 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(-c2ccccn2)nc1)C1CC1 ZINC000425460742 264332848 /nfs/dbraw/zinc/33/28/48/264332848.db2.gz RLXOGACNISTLOJ-UHFFFAOYSA-N 1 1 265.360 3.294 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000075935714 264334788 /nfs/dbraw/zinc/33/47/88/264334788.db2.gz SOXDDUXJMXRNLG-OAHLLOKOSA-N 1 1 287.407 3.015 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CCC(=O)OC(C)(C)C ZINC000425479706 264348096 /nfs/dbraw/zinc/34/80/96/264348096.db2.gz QJFGNUYPKSFYCU-ZDUSSCGKSA-N 1 1 253.386 3.149 20 30 CGEDMO C=CCCOCC[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000285977185 264566249 /nfs/dbraw/zinc/56/62/49/264566249.db2.gz GJQBXJKJLGJEGP-CQSZACIVSA-N 1 1 267.344 3.165 20 30 CGEDMO CCCC[N@@H+]1CCCC[C@@H]1CNCc1ccc(C#N)cc1 ZINC000236751245 266032992 /nfs/dbraw/zinc/03/29/92/266032992.db2.gz UYULIBHSBIVKKJ-GOSISDBHSA-N 1 1 285.435 3.302 20 30 CGEDMO CCCC[N@H+]1CCCC[C@@H]1CNCc1ccc(C#N)cc1 ZINC000236751245 266032995 /nfs/dbraw/zinc/03/29/95/266032995.db2.gz UYULIBHSBIVKKJ-GOSISDBHSA-N 1 1 285.435 3.302 20 30 CGEDMO C=CC[N@H+](Cc1c[nH]c2nccnc12)CC1CCCCC1 ZINC000356234925 266078979 /nfs/dbraw/zinc/07/89/79/266078979.db2.gz FFCVYPRKBUKTRE-UHFFFAOYSA-N 1 1 284.407 3.478 20 30 CGEDMO C=CCN(C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)C1CC1 ZINC000357564059 266325935 /nfs/dbraw/zinc/32/59/35/266325935.db2.gz ABIAKNBAYQZWQI-HNNXBMFYSA-N 1 1 293.455 3.001 20 30 CGEDMO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc2ncsc2c1 ZINC000362572911 267009258 /nfs/dbraw/zinc/00/92/58/267009258.db2.gz NGCXLXUFCZRLBE-NEPJUHHUSA-N 1 1 284.388 3.390 20 30 CGEDMO C=CCCCN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000363135977 267076085 /nfs/dbraw/zinc/07/60/85/267076085.db2.gz BJDODVVMOTWHJO-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C/C(Cl)=C/C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000528348854 270161800 /nfs/dbraw/zinc/16/18/00/270161800.db2.gz DFVYLELBKBBTEE-AUWJEWJLSA-N 1 1 289.810 3.213 20 30 CGEDMO N#CCC[C@H](C#N)C[NH+]1CCC(C2CCCC2)CC1 ZINC000369809343 267267280 /nfs/dbraw/zinc/26/72/80/267267280.db2.gz QHHCCYLCHGICGZ-CQSZACIVSA-N 1 1 259.397 3.332 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](N2CCCC2)C1 ZINC000370093713 267290109 /nfs/dbraw/zinc/29/01/09/267290109.db2.gz UKOPGCXKPOCASS-MRXNPFEDSA-N 1 1 250.430 3.293 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@@H](N2CCCC2)C1 ZINC000370093713 267290111 /nfs/dbraw/zinc/29/01/11/267290111.db2.gz UKOPGCXKPOCASS-MRXNPFEDSA-N 1 1 250.430 3.293 20 30 CGEDMO CCCCCCCC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000119126169 267302660 /nfs/dbraw/zinc/30/26/60/267302660.db2.gz KVUYRFLARRVQMN-JKSUJKDBSA-N 1 1 280.456 3.290 20 30 CGEDMO Cc1nc2ccc(C[NH2+]CC3(C#N)CCC3)cc2s1 ZINC000418145253 267366859 /nfs/dbraw/zinc/36/68/59/267366859.db2.gz WVFOCNOZTVYBNP-UHFFFAOYSA-N 1 1 271.389 3.388 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000371330109 267392557 /nfs/dbraw/zinc/39/25/57/267392557.db2.gz AQCKNWITQGVVGP-SJORKVTESA-N 1 1 287.403 3.110 20 30 CGEDMO C[C@H]1CC(F)(F)CC[N@H+]1CCOc1ccccc1C#N ZINC000528771768 270172540 /nfs/dbraw/zinc/17/25/40/270172540.db2.gz ZTQKUYZJPFZUKN-LBPRGKRZSA-N 1 1 280.318 3.057 20 30 CGEDMO COc1ccc2c(c1)OCC[N@H+](CC(C)(C)CCC#N)C2 ZINC000376763225 268014434 /nfs/dbraw/zinc/01/44/34/268014434.db2.gz DERCWZUAINGXQF-UHFFFAOYSA-N 1 1 288.391 3.220 20 30 CGEDMO C=C1CC[NH+]([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000352221067 273484055 /nfs/dbraw/zinc/48/40/55/273484055.db2.gz GLFGKKXMDYRLEE-OAHLLOKOSA-N 1 1 290.794 3.097 20 30 CGEDMO COC[C@@]1(C)CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000296571960 274046821 /nfs/dbraw/zinc/04/68/21/274046821.db2.gz DETSGTMHZJGGEZ-INIZCTEOSA-N 1 1 277.795 3.050 20 30 CGEDMO CS[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000296146485 274179624 /nfs/dbraw/zinc/17/96/24/274179624.db2.gz GNWZAMCLZWSFRR-CQSZACIVSA-N 1 1 265.809 3.129 20 30 CGEDMO CCC[N@@H+](Cc1cccc(F)c1C#N)C[C@@H]1CCCCO1 ZINC000428392244 276002238 /nfs/dbraw/zinc/00/22/38/276002238.db2.gz YRWUUWHNKMNGTG-HNNXBMFYSA-N 1 1 290.382 3.478 20 30 CGEDMO CCC[N@H+](Cc1cccc(F)c1C#N)C[C@@H]1CCCCO1 ZINC000428392244 276002239 /nfs/dbraw/zinc/00/22/39/276002239.db2.gz YRWUUWHNKMNGTG-HNNXBMFYSA-N 1 1 290.382 3.478 20 30 CGEDMO C[C@@H](CN1CCCCC1)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000358570634 278253973 /nfs/dbraw/zinc/25/39/73/278253973.db2.gz NLFAAKKWABSNAY-KBPBESRZSA-N 1 1 289.398 3.222 20 30 CGEDMO CC1(C)C[N@H+]([C@@H]2CC[C@@H](C#N)C2)CC2(CCCC2)O1 ZINC000336440909 278340655 /nfs/dbraw/zinc/34/06/55/278340655.db2.gz BZDLMYFEVGXSLA-ZIAGYGMSSA-N 1 1 262.397 3.102 20 30 CGEDMO C[C@@H](NCCC[NH+]1CCCCC1)c1ccc(C#N)cc1 ZINC000020128758 278344683 /nfs/dbraw/zinc/34/46/83/278344683.db2.gz UQRZSUVEASJESN-OAHLLOKOSA-N 1 1 271.408 3.085 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccon1 ZINC000349231301 278358624 /nfs/dbraw/zinc/35/86/24/278358624.db2.gz AFQGXKJOCBGIRK-GFCCVEGCSA-N 1 1 269.348 3.327 20 30 CGEDMO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ncc[nH]1 ZINC000334904720 279509623 /nfs/dbraw/zinc/50/96/23/279509623.db2.gz GXKRFYGWIJXBIX-XHDPSFHLSA-N 1 1 266.348 3.010 20 30 CGEDMO CC(C)[C@@]1(CO)CCC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000292928982 280130604 /nfs/dbraw/zinc/13/06/04/280130604.db2.gz CIMQZIHGEURBPF-YJBOKZPZSA-N 1 1 286.419 3.350 20 30 CGEDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459479131 288245764 /nfs/dbraw/zinc/24/57/64/288245764.db2.gz UISOJMMMDCVUOO-AAEUAGOBSA-N 1 1 273.336 3.229 20 30 CGEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@H](CC2CC2)C1 ZINC000550422846 289076357 /nfs/dbraw/zinc/07/63/57/289076357.db2.gz QYWRTPMPLSKJNA-OAHLLOKOSA-N 1 1 297.402 3.009 20 30 CGEDMO N#Cc1cccc(OCCC[N@H+]2CC[C@H](CC3CC3)C2)c1 ZINC000550422856 289076447 /nfs/dbraw/zinc/07/64/47/289076447.db2.gz RFXVMEOGUAGKBQ-QGZVFWFLSA-N 1 1 284.403 3.449 20 30 CGEDMO N#CCC[N@H+](CCc1ccc(F)c(F)c1)CC1CC1 ZINC000152139996 328073433 /nfs/dbraw/zinc/07/34/33/328073433.db2.gz VSMRJALQBGECRZ-UHFFFAOYSA-N 1 1 264.319 3.133 20 30 CGEDMO C=C(C)C[N@@H+](CC)[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000152529299 328072400 /nfs/dbraw/zinc/07/24/00/328072400.db2.gz DOZPRRGKJSSGFZ-NSHDSACASA-N 1 1 251.374 3.326 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000152529299 328072402 /nfs/dbraw/zinc/07/24/02/328072402.db2.gz DOZPRRGKJSSGFZ-NSHDSACASA-N 1 1 251.374 3.326 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)CC[C@H](O)c1ccccc1 ZINC000290254518 328258716 /nfs/dbraw/zinc/25/87/16/328258716.db2.gz KBGOAPZSXONHFF-INIZCTEOSA-N 1 1 274.408 3.372 20 30 CGEDMO N#CCCC[N@@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000293165054 328274505 /nfs/dbraw/zinc/27/45/05/328274505.db2.gz VAULMXNKASVECD-AWEZNQCLSA-N 1 1 264.756 3.097 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCSC3(CCCCC3)C2)nc1 ZINC000564626801 322036475 /nfs/dbraw/zinc/03/64/75/322036475.db2.gz XUPDQLIWVSCWTE-UHFFFAOYSA-N 1 1 287.432 3.205 20 30 CGEDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000565042788 322056454 /nfs/dbraw/zinc/05/64/54/322056454.db2.gz AUVQYJGRYKQUNF-AWEZNQCLSA-N 1 1 287.363 3.334 20 30 CGEDMO CCC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000565159543 322063642 /nfs/dbraw/zinc/06/36/42/322063642.db2.gz ZLROVVLSBJPDKX-HNNXBMFYSA-N 1 1 257.381 3.354 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cc(C#N)n(C)c2)[C@@H]2CCCC[C@@H]12 ZINC000565750924 322089577 /nfs/dbraw/zinc/08/95/77/322089577.db2.gz LMNRBLFXDIPURL-XOKHGSTOSA-N 1 1 271.408 3.297 20 30 CGEDMO C[N@H+](CC#Cc1ccc(Cl)cc1)CCC1CCOCC1 ZINC000120537906 328344342 /nfs/dbraw/zinc/34/43/42/328344342.db2.gz CCMCWZDDLNDURU-UHFFFAOYSA-N 1 1 291.822 3.440 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000303577912 328354233 /nfs/dbraw/zinc/35/42/33/328354233.db2.gz OCGPGJCKLGVDFF-SFHVURJKSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCCC[N@@H+](C)[C@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000121063572 328365184 /nfs/dbraw/zinc/36/51/84/328365184.db2.gz KTNGMMOPXDUUCX-CYBMUJFWSA-N 1 1 290.407 3.303 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000121063572 328365186 /nfs/dbraw/zinc/36/51/86/328365186.db2.gz KTNGMMOPXDUUCX-CYBMUJFWSA-N 1 1 290.407 3.303 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc(F)c(Cl)c2)CCC1 ZINC000258818414 326879605 /nfs/dbraw/zinc/87/96/05/326879605.db2.gz CDBYMCBHNSTPPP-UHFFFAOYSA-N 1 1 252.720 3.263 20 30 CGEDMO C[C@@H](CO)[N@@H+](CC#Cc1ccccc1Cl)C1CCCC1 ZINC000558115731 327074653 /nfs/dbraw/zinc/07/46/53/327074653.db2.gz SLYRPCBHRWRXMQ-AWEZNQCLSA-N 1 1 291.822 3.317 20 30 CGEDMO C=CCCCC[C@@H](C)[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000449162321 327102201 /nfs/dbraw/zinc/10/22/01/327102201.db2.gz RGEQYAMZZJZJTF-SJORKVTESA-N 1 1 294.483 3.212 20 30 CGEDMO C[N@@H+](CCCSCC#N)CCOc1cccc(Cl)c1 ZINC000074980426 327122549 /nfs/dbraw/zinc/12/25/49/327122549.db2.gz KITQLALEFCMGMV-UHFFFAOYSA-N 1 1 298.839 3.297 20 30 CGEDMO C=CCOCC[N@H+](Cc1ccc(OC)cc1)C(C)(C)C ZINC000559248394 327150239 /nfs/dbraw/zinc/15/02/39/327150239.db2.gz NGYAVWODBROIBI-UHFFFAOYSA-N 1 1 277.408 3.498 20 30 CGEDMO CC[N@@H+](CCCCC#N)Cc1c(F)cccc1F ZINC000102401630 327226982 /nfs/dbraw/zinc/22/69/82/327226982.db2.gz ZFKWYFIATZDYHV-UHFFFAOYSA-N 1 1 252.308 3.481 20 30 CGEDMO C=CC1CC[NH+]([C@H](C(=O)OCC)c2ccccc2)CC1 ZINC000562876618 327521256 /nfs/dbraw/zinc/52/12/56/327521256.db2.gz DIMMGOSHUSNCBQ-INIZCTEOSA-N 1 1 273.376 3.189 20 30 CGEDMO C=C[C@@H](CO)[NH2+][C@@H](C)c1cc(Cl)sc1Cl ZINC000289712850 327577972 /nfs/dbraw/zinc/57/79/72/327577972.db2.gz JFKBPOAOKOMXNI-BQBZGAKWSA-N 1 1 266.193 3.252 20 30 CGEDMO N#CCC[N@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000378640970 329057705 /nfs/dbraw/zinc/05/77/05/329057705.db2.gz CCQBFMFEHIJHFY-LBPRGKRZSA-N 1 1 268.282 3.408 20 30 CGEDMO N#CCC[N@@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000378640970 329057706 /nfs/dbraw/zinc/05/77/06/329057706.db2.gz CCQBFMFEHIJHFY-LBPRGKRZSA-N 1 1 268.282 3.408 20 30 CGEDMO C=C(C)C[N@H+](C)CCC(=O)Nc1ccccc1SC ZINC000181301074 329230281 /nfs/dbraw/zinc/23/02/81/329230281.db2.gz BYHKZIGSRBYSOB-UHFFFAOYSA-N 1 1 278.421 3.245 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(SC)cc1 ZINC000181318888 329231232 /nfs/dbraw/zinc/23/12/32/329231232.db2.gz DNKVFINMFILABS-LBPRGKRZSA-N 1 1 278.421 3.243 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(SC)cc1 ZINC000181318888 329231230 /nfs/dbraw/zinc/23/12/30/329231230.db2.gz DNKVFINMFILABS-LBPRGKRZSA-N 1 1 278.421 3.243 20 30 CGEDMO C=CCOc1cccc(C[N@H+](C)Cc2cccnc2)c1 ZINC000182030854 329238870 /nfs/dbraw/zinc/23/88/70/329238870.db2.gz YTUJYTGNKOMRIZ-UHFFFAOYSA-N 1 1 268.360 3.278 20 30 CGEDMO C=C(C)CN(C)C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000183042381 329246595 /nfs/dbraw/zinc/24/65/95/329246595.db2.gz YNTXSRVXEVNXJJ-QGZVFWFLSA-N 1 1 286.419 3.076 20 30 CGEDMO C[C@@H]([N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-])C1(C)CC1 ZINC000582908065 329286641 /nfs/dbraw/zinc/28/66/41/329286641.db2.gz RPDGFFWPFSINIM-LLVKDONJSA-N 1 1 273.336 3.087 20 30 CGEDMO C=C(C)CC[NH2+]C1(C(=O)OC)CCC(CC)CC1 ZINC000508990108 332854197 /nfs/dbraw/zinc/85/41/97/332854197.db2.gz CQDVIVLWDLAHAI-UHFFFAOYSA-N 1 1 253.386 3.054 20 30 CGEDMO COc1cc(C[NH+]2CCC(C#N)CC2)ccc1OC(F)F ZINC000061040344 329680693 /nfs/dbraw/zinc/68/06/93/329680693.db2.gz VBAFMNUDOHOWIL-UHFFFAOYSA-N 1 1 296.317 3.032 20 30 CGEDMO C=CC[NH+]1CCC(N[C@@H](C)c2ccc(Cl)cn2)CC1 ZINC000274984452 330108527 /nfs/dbraw/zinc/10/85/27/330108527.db2.gz ZRXMMZPZRZSULO-LBPRGKRZSA-N 1 1 279.815 3.036 20 30 CGEDMO C=C1CC[NH+](CC(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000532958483 330323002 /nfs/dbraw/zinc/32/30/02/330323002.db2.gz NREMXDIWPIOEDW-UHFFFAOYSA-N 1 1 273.420 3.424 20 30 CGEDMO Cc1nc(C[N@H+](C)CCCC(C)(C)C#N)cs1 ZINC000087608655 330373678 /nfs/dbraw/zinc/37/36/78/330373678.db2.gz IZQZLVQWDOJGKX-UHFFFAOYSA-N 1 1 251.399 3.213 20 30 CGEDMO Cc1nc(C[N@@H+](C)CCCC(C)(C)C#N)cs1 ZINC000087608655 330373679 /nfs/dbraw/zinc/37/36/79/330373679.db2.gz IZQZLVQWDOJGKX-UHFFFAOYSA-N 1 1 251.399 3.213 20 30 CGEDMO C=CCCC[N@H+](Cc1ccc(O)c(OC)c1)C1CC1 ZINC000089971288 330388798 /nfs/dbraw/zinc/38/87/98/330388798.db2.gz UTDJMOYBFOGZLJ-UHFFFAOYSA-N 1 1 261.365 3.331 20 30 CGEDMO C=CC[N@@H+](C)CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000121171069 330396830 /nfs/dbraw/zinc/39/68/30/330396830.db2.gz HSQCCDDHORQTRV-UHFFFAOYSA-N 1 1 286.297 3.152 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CCCC1 ZINC000451200025 331020230 /nfs/dbraw/zinc/02/02/30/331020230.db2.gz GASIEXRDCQJHCE-MRXNPFEDSA-N 1 1 290.451 3.256 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCOCC12CCCCC2 ZINC000451817152 331043640 /nfs/dbraw/zinc/04/36/40/331043640.db2.gz QVBBFSNEXSSNGK-UHFFFAOYSA-N 1 1 264.413 3.351 20 30 CGEDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(CC#N)cc2)C12CCC2 ZINC000451845682 331044423 /nfs/dbraw/zinc/04/44/23/331044423.db2.gz IUTRHYJPKCLANG-SJORKVTESA-N 1 1 284.403 3.142 20 30 CGEDMO N#CCCC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000451879536 331046112 /nfs/dbraw/zinc/04/61/12/331046112.db2.gz RMXWNVOTRGRUCD-OAHLLOKOSA-N 1 1 268.364 3.394 20 30 CGEDMO N#CCCC[N@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000451879536 331046113 /nfs/dbraw/zinc/04/61/13/331046113.db2.gz RMXWNVOTRGRUCD-OAHLLOKOSA-N 1 1 268.364 3.394 20 30 CGEDMO CC(C)(C#N)c1ccccc1CNC(C)(C)C[NH+]1CCCC1 ZINC000452100084 331054198 /nfs/dbraw/zinc/05/41/98/331054198.db2.gz YUTFLUMIOIXAAL-UHFFFAOYSA-N 1 1 299.462 3.452 20 30 CGEDMO Cc1cc(NC(=O)NCC(C)(C)CCC#N)cn2cc[nH+]c12 ZINC000455627239 331174230 /nfs/dbraw/zinc/17/42/30/331174230.db2.gz PBZRCTDQQARFAW-UHFFFAOYSA-N 1 1 299.378 3.094 20 30 CGEDMO N#CCc1cccc(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)c1 ZINC000456744292 331199755 /nfs/dbraw/zinc/19/97/55/331199755.db2.gz GRFRTJWASYHBNK-KRWDZBQOSA-N 1 1 297.402 3.098 20 30 CGEDMO C=C(CC)CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000456813529 331205172 /nfs/dbraw/zinc/20/51/72/331205172.db2.gz QQBFKFCIVYBQCI-QGZVFWFLSA-N 1 1 286.419 3.124 20 30 CGEDMO CCN1C[C@@H](C)[N@@H+](CCCCC(C)(C)C#N)[C@@H](C)C1 ZINC000459462821 331282836 /nfs/dbraw/zinc/28/28/36/331282836.db2.gz MVCMQOACTYUQJY-GASCZTMLSA-N 1 1 265.445 3.121 20 30 CGEDMO CC[N@@H+]1C[C@@H](C)N(CCCCC(C)(C)C#N)[C@@H](C)C1 ZINC000459462821 331282835 /nfs/dbraw/zinc/28/28/35/331282835.db2.gz MVCMQOACTYUQJY-GASCZTMLSA-N 1 1 265.445 3.121 20 30 CGEDMO CCN1C[C@@H](C)[N@H+](CCCCC(C)(C)C#N)[C@@H](C)C1 ZINC000459462821 331282837 /nfs/dbraw/zinc/28/28/37/331282837.db2.gz MVCMQOACTYUQJY-GASCZTMLSA-N 1 1 265.445 3.121 20 30 CGEDMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)CCCSCC#N ZINC000459778201 331300533 /nfs/dbraw/zinc/30/05/33/331300533.db2.gz ZIUGROXSBCSHSO-CYBMUJFWSA-N 1 1 280.412 3.335 20 30 CGEDMO CC#CCC[N@@H+]1C[C@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000462318922 331319446 /nfs/dbraw/zinc/31/94/46/331319446.db2.gz FXBOGMPACRXVQP-SJLPKXTDSA-N 1 1 271.404 3.479 20 30 CGEDMO CC#CCC[N@H+]1C[C@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000462318922 331319447 /nfs/dbraw/zinc/31/94/47/331319447.db2.gz FXBOGMPACRXVQP-SJLPKXTDSA-N 1 1 271.404 3.479 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000489422596 332051102 /nfs/dbraw/zinc/05/11/02/332051102.db2.gz GBCYCWXEJXUBQC-RDJZCZTQSA-N 1 1 286.419 3.247 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CCCOc1ccc2c(c1)OCO2 ZINC000489428568 332051404 /nfs/dbraw/zinc/05/14/04/332051404.db2.gz OTAMQKNKFWPWAX-AWEZNQCLSA-N 1 1 289.375 3.225 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(OC)ccc1OC ZINC000489437871 332052275 /nfs/dbraw/zinc/05/22/75/332052275.db2.gz WVTROGXZAVJXLG-CQSZACIVSA-N 1 1 261.365 3.244 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CCCN(CC)CC(F)(F)F ZINC000489436353 332052443 /nfs/dbraw/zinc/05/24/43/332052443.db2.gz VIWWWRJHNRJFLD-CYBMUJFWSA-N 1 1 278.362 3.301 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(C)cc(C)c1 ZINC000489437110 332052449 /nfs/dbraw/zinc/05/24/49/332052449.db2.gz VVGAXPVOGIQODM-MRXNPFEDSA-N 1 1 272.392 3.282 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(C)cc(C)c1 ZINC000489437110 332052450 /nfs/dbraw/zinc/05/24/50/332052450.db2.gz VVGAXPVOGIQODM-MRXNPFEDSA-N 1 1 272.392 3.282 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)N(c1ccccc1)C(C)C ZINC000489452721 332053522 /nfs/dbraw/zinc/05/35/22/332053522.db2.gz WXXKCUNSSZYZQK-MRXNPFEDSA-N 1 1 286.419 3.469 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N(c1ccccc1)C(C)C ZINC000489452721 332053523 /nfs/dbraw/zinc/05/35/23/332053523.db2.gz WXXKCUNSSZYZQK-MRXNPFEDSA-N 1 1 286.419 3.469 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CCOCC(F)(F)C(F)(F)F ZINC000489494038 332056235 /nfs/dbraw/zinc/05/62/35/332056235.db2.gz UHJIRINGNRZYKJ-SNVBAGLBSA-N 1 1 287.272 3.241 20 30 CGEDMO Cc1ccc([C@H]2C[C@H](C)[N@H+](CC3(C#N)CC3)C2)cc1 ZINC000490073660 332080112 /nfs/dbraw/zinc/08/01/12/332080112.db2.gz RCBZGRMSYGKTDX-HOCLYGCPSA-N 1 1 254.377 3.477 20 30 CGEDMO C#CC[N@@H+](CC)[C@H](C)C(=O)Nc1c(C)cc(C)cc1Cl ZINC000490867048 332122591 /nfs/dbraw/zinc/12/25/91/332122591.db2.gz YIFZLQBLNGVOSN-CYBMUJFWSA-N 1 1 292.810 3.239 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)C(=O)Nc1c(C)cc(C)cc1Cl ZINC000490867048 332122593 /nfs/dbraw/zinc/12/25/93/332122593.db2.gz YIFZLQBLNGVOSN-CYBMUJFWSA-N 1 1 292.810 3.239 20 30 CGEDMO Clc1ccc(C#CC[N@H+]2CC[C@@H](C3CC3)C2)cc1 ZINC000491108560 332150677 /nfs/dbraw/zinc/15/06/77/332150677.db2.gz HEWJIZVQCPGNNQ-OAHLLOKOSA-N 1 1 259.780 3.423 20 30 CGEDMO C#C[C@@H](CC)[NH2+]Cc1c(F)ccc(C2OCCO2)c1Cl ZINC000491544521 332234357 /nfs/dbraw/zinc/23/43/57/332234357.db2.gz MHFWTYGUFOTFAN-JTQLQIEISA-N 1 1 297.757 3.026 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000172174397 335096548 /nfs/dbraw/zinc/09/65/48/335096548.db2.gz GNWASLHZXXCCKA-HNNXBMFYSA-N 1 1 272.392 3.303 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)Cc2cccc(C3CC3)c2)n1 ZINC000491627009 332250491 /nfs/dbraw/zinc/25/04/91/332250491.db2.gz JMEYKNBIVZLCDC-UHFFFAOYSA-N 1 1 293.414 3.416 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)Cc2cccc(C3CC3)c2)n1 ZINC000491627009 332250493 /nfs/dbraw/zinc/25/04/93/332250493.db2.gz JMEYKNBIVZLCDC-UHFFFAOYSA-N 1 1 293.414 3.416 20 30 CGEDMO C#C[C@H]([NH2+]Cc1ccc(COC)cc1)c1ccc(F)cc1 ZINC000491690416 332287426 /nfs/dbraw/zinc/28/74/26/332287426.db2.gz MDFSLELBEXLCMD-SFHVURJKSA-N 1 1 283.346 3.436 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccccc1Oc1cccnc1 ZINC000491705116 332298279 /nfs/dbraw/zinc/29/82/79/332298279.db2.gz CGMUPTZGXGGOLV-CQSZACIVSA-N 1 1 266.344 3.327 20 30 CGEDMO C#C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccc(Cl)cc1F ZINC000491718144 332307330 /nfs/dbraw/zinc/30/73/30/332307330.db2.gz STVRPZPTHZUPLJ-HCKVZZMMSA-N 1 1 276.742 3.435 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1coc(-c2ccccc2)n1)C(C)C ZINC000491785644 332348446 /nfs/dbraw/zinc/34/84/46/332348446.db2.gz RVKQNOZRQNCBIY-OAHLLOKOSA-N 1 1 254.333 3.089 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)CC1(F)CC1 ZINC000517057479 333091124 /nfs/dbraw/zinc/09/11/24/333091124.db2.gz NYMQXROFHWLOAQ-UHFFFAOYSA-N 1 1 265.376 3.344 20 30 CGEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)CC1(F)CC1 ZINC000517057479 333091125 /nfs/dbraw/zinc/09/11/25/333091125.db2.gz NYMQXROFHWLOAQ-UHFFFAOYSA-N 1 1 265.376 3.344 20 30 CGEDMO C=CCN(CC=C)C(=O)NC[C@@H]1CCCC[N@@H+]1CCCC ZINC000517504091 333100722 /nfs/dbraw/zinc/10/07/22/333100722.db2.gz LKSZYVJWZVOLIT-INIZCTEOSA-N 1 1 293.455 3.025 20 30 CGEDMO C=CC[N@@H+](CC)CCOc1ccc(Br)cc1 ZINC000195733056 333262503 /nfs/dbraw/zinc/26/25/03/333262503.db2.gz HQLJSUGIAKTFQG-UHFFFAOYSA-N 1 1 284.197 3.336 20 30 CGEDMO C[N@H+]1CCC[C@H]2C[NH+](CCCCC(C)(C)C#N)CC[C@@H]21 ZINC000234336056 333359517 /nfs/dbraw/zinc/35/95/17/333359517.db2.gz HOXCHZMKYFFQOR-HOTGVXAUSA-N 1 1 277.456 3.123 20 30 CGEDMO C[N@@H+]1CCC[C@H]2CN(CCCCC(C)(C)C#N)CC[C@@H]21 ZINC000234336056 333359520 /nfs/dbraw/zinc/35/95/20/333359520.db2.gz HOXCHZMKYFFQOR-HOTGVXAUSA-N 1 1 277.456 3.123 20 30 CGEDMO C[N@H+]1CCC[C@H]2CN(CCCCC(C)(C)C#N)CC[C@@H]21 ZINC000234336056 333359521 /nfs/dbraw/zinc/35/95/21/333359521.db2.gz HOXCHZMKYFFQOR-HOTGVXAUSA-N 1 1 277.456 3.123 20 30 CGEDMO CO[C@@H](C[NH2+]C[C@@H](C#N)CCC#N)c1ccc(Cl)cc1 ZINC000576064224 335148220 /nfs/dbraw/zinc/14/82/20/335148220.db2.gz BTONQIIFIHGCCR-DOMZBBRYSA-N 1 1 291.782 3.061 20 30 CGEDMO C=CCC[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000132925009 334010444 /nfs/dbraw/zinc/01/04/44/334010444.db2.gz XFTHWZMXUWNSGY-UHFFFAOYSA-N 1 1 264.344 3.051 20 30 CGEDMO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCCCC#N ZINC000134643555 334098817 /nfs/dbraw/zinc/09/88/17/334098817.db2.gz GVJAZHLXCAISNH-UONOGXRCSA-N 1 1 295.427 3.058 20 30 CGEDMO OCC[N@@H+](CC#Cc1ccccc1Cl)Cc1ccccc1 ZINC000135038066 334113270 /nfs/dbraw/zinc/11/32/70/334113270.db2.gz LWBLDRUHAJTXDZ-UHFFFAOYSA-N 1 1 299.801 3.186 20 30 CGEDMO CC[C@@H]1COCC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000135234621 334120640 /nfs/dbraw/zinc/12/06/40/334120640.db2.gz DLJBZQNIUXUOBS-OAHLLOKOSA-N 1 1 272.392 3.099 20 30 CGEDMO CC[C@@H]1COCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000135234621 334120641 /nfs/dbraw/zinc/12/06/41/334120641.db2.gz DLJBZQNIUXUOBS-OAHLLOKOSA-N 1 1 272.392 3.099 20 30 CGEDMO C=CCOCC[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000549446382 334194097 /nfs/dbraw/zinc/19/40/97/334194097.db2.gz QNEMTCQGMKZUIB-AWEZNQCLSA-N 1 1 265.784 3.332 20 30 CGEDMO C=CCCCC(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000552459871 334328735 /nfs/dbraw/zinc/32/87/35/334328735.db2.gz OFMDRVUMVHGBCR-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO COc1ccc(C[C@H](C)C[N@@H+](C)CCCC#N)cc1 ZINC000090619012 334364899 /nfs/dbraw/zinc/36/48/99/334364899.db2.gz UTZMKNREVDQVTF-AWEZNQCLSA-N 1 1 260.381 3.109 20 30 CGEDMO CCCC[N@@H+](C)C[C@H](C)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000576381276 335196640 /nfs/dbraw/zinc/19/66/40/335196640.db2.gz ZLKIFIJWSYGKQM-UONOGXRCSA-N 1 1 291.414 3.468 20 30 CGEDMO CCCCN(C)C[C@H](C)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000576381276 335196642 /nfs/dbraw/zinc/19/66/42/335196642.db2.gz ZLKIFIJWSYGKQM-UONOGXRCSA-N 1 1 291.414 3.468 20 30 CGEDMO CC[C@H](CN[C@@H](CC)c1ccc(C#N)cc1)[NH+]1CCCC1 ZINC000576460174 335206451 /nfs/dbraw/zinc/20/64/51/335206451.db2.gz RRCIWYMHTRAPOP-MSOLQXFVSA-N 1 1 285.435 3.473 20 30 CGEDMO CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc(C#N)cs2)c1 ZINC000177696589 335379733 /nfs/dbraw/zinc/37/97/33/335379733.db2.gz DSVMYXFUAGTLEV-UHFFFAOYSA-N 1 1 299.443 3.361 20 30 CGEDMO CC[N@H+](C)Cc1cccc(CNCc2cc(C#N)cs2)c1 ZINC000177696589 335379734 /nfs/dbraw/zinc/37/97/34/335379734.db2.gz DSVMYXFUAGTLEV-UHFFFAOYSA-N 1 1 299.443 3.361 20 30 CGEDMO CC[N@@H+](C)Cc1cccc(CNCc2cc(C#N)cs2)c1 ZINC000177696589 335379735 /nfs/dbraw/zinc/37/97/35/335379735.db2.gz DSVMYXFUAGTLEV-UHFFFAOYSA-N 1 1 299.443 3.361 20 30 CGEDMO CC[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1nccs1 ZINC000347927203 335406849 /nfs/dbraw/zinc/40/68/49/335406849.db2.gz QCPUISWANUKBQQ-CQSZACIVSA-N 1 1 271.389 3.450 20 30 CGEDMO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)c2nccn21 ZINC000578030185 335468254 /nfs/dbraw/zinc/46/82/54/335468254.db2.gz WGNPVQXWCJXHTO-HFBAOOFYSA-N 1 1 278.359 3.038 20 30 CGEDMO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1OC)c1c(C)noc1C ZINC000182398592 335816774 /nfs/dbraw/zinc/81/67/74/335816774.db2.gz IDRDJYOHVODEKE-OAHLLOKOSA-N 1 1 299.374 3.413 20 30 CGEDMO C=C(C)CC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000381319116 336059234 /nfs/dbraw/zinc/05/92/34/336059234.db2.gz VOJAOCVRLYDRQI-IPMKNSEASA-N 1 1 284.447 3.453 20 30 CGEDMO C=CCCC[N@@H+](C)[C@H](C(=O)OCC)c1ccccc1 ZINC000382528045 336092361 /nfs/dbraw/zinc/09/23/61/336092361.db2.gz CWUNOAXKOZSXHP-HNNXBMFYSA-N 1 1 261.365 3.189 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C(=O)OCC)c1ccccc1 ZINC000382528045 336092362 /nfs/dbraw/zinc/09/23/62/336092362.db2.gz CWUNOAXKOZSXHP-HNNXBMFYSA-N 1 1 261.365 3.189 20 30 CGEDMO C[C@@H](CNc1c(C#N)cccc1C#N)[N@H+]1CCCC[C@H]1C ZINC000436309475 534088232 /nfs/dbraw/zinc/08/82/32/534088232.db2.gz SGDWULPPPFSTAA-KGLIPLIRSA-N 1 1 282.391 3.105 20 30 CGEDMO Cc1ccc(-c2ncc(C[NH2+][C@H]3CCC[C@@H]3C#N)s2)o1 ZINC000350458616 534218575 /nfs/dbraw/zinc/21/85/75/534218575.db2.gz KAOKPJXIYHZUMC-YPMHNXCESA-N 1 1 287.388 3.493 20 30 CGEDMO CC[C@H](C)C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)C(=O)OC ZINC000568393263 517804809 /nfs/dbraw/zinc/80/48/09/517804809.db2.gz NIGLXLNGTCGWNM-PGOFDVKTSA-N 1 1 280.412 3.026 20 30 CGEDMO COc1ccc(C[NH+]2CCC(C(F)(F)F)CC2)cc1C#N ZINC000088420416 524023517 /nfs/dbraw/zinc/02/35/17/524023517.db2.gz ZDVYJWZSZDVKDM-UHFFFAOYSA-N 1 1 298.308 3.341 20 30 CGEDMO C[C@H](NCC1(C[NH+](C)C)CCCC1)c1cccc(C#N)c1 ZINC000183951911 525317800 /nfs/dbraw/zinc/31/78/00/525317800.db2.gz ALVLRLYXIUOXFF-HNNXBMFYSA-N 1 1 285.435 3.331 20 30 CGEDMO C=CC[N@@H+](CCCCn1ccnc1C)CCc1ccco1 ZINC000352702467 526273582 /nfs/dbraw/zinc/27/35/82/526273582.db2.gz XIGDVVDJUSRLFA-UHFFFAOYSA-N 1 1 287.407 3.295 20 30 CGEDMO C=CC[N@H+](CC[C@H](C)F)Cc1ccc(OC)cc1 ZINC000351909569 526307803 /nfs/dbraw/zinc/30/78/03/526307803.db2.gz OMSVIOLYJYUWSS-ZDUSSCGKSA-N 1 1 251.345 3.431 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1nc(C)ccc1O ZINC000352753308 526314051 /nfs/dbraw/zinc/31/40/51/526314051.db2.gz DJWZBUPQUICTMR-UHFFFAOYSA-N 1 1 282.387 3.326 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1csc([N+](=O)[O-])c1 ZINC000352720714 526327191 /nfs/dbraw/zinc/32/71/91/526327191.db2.gz MUKFHNUUVWXFTE-UHFFFAOYSA-N 1 1 292.360 3.480 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1csc([N+](=O)[O-])c1 ZINC000352720714 526327194 /nfs/dbraw/zinc/32/71/94/526327194.db2.gz MUKFHNUUVWXFTE-UHFFFAOYSA-N 1 1 292.360 3.480 20 30 CGEDMO C=CC[NH+]1CCC(N[C@H](c2ccc(F)cn2)C(C)C)CC1 ZINC000353546175 526454378 /nfs/dbraw/zinc/45/43/78/526454378.db2.gz OKUXDIXWARWSOR-KRWDZBQOSA-N 1 1 291.414 3.158 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000350763058 526506182 /nfs/dbraw/zinc/50/61/82/526506182.db2.gz LDQXSTHKAXQFDS-KRWDZBQOSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C(C)CN(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000350763058 526506190 /nfs/dbraw/zinc/50/61/90/526506190.db2.gz LDQXSTHKAXQFDS-KRWDZBQOSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C(C)CN(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000350763058 526506196 /nfs/dbraw/zinc/50/61/96/526506196.db2.gz LDQXSTHKAXQFDS-KRWDZBQOSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C(C)CN1CCC([NH2+]Cc2cc(F)c(F)c(F)c2)CC1 ZINC000106244957 526601655 /nfs/dbraw/zinc/60/16/55/526601655.db2.gz XBTWOWKYJHLYMK-UHFFFAOYSA-N 1 1 298.352 3.234 20 30 CGEDMO C=C(C)C[NH+]1CCC(NCc2cccc(Cl)c2)CC1 ZINC000106246080 526603911 /nfs/dbraw/zinc/60/39/11/526603911.db2.gz QNCUEZMWUINRIL-UHFFFAOYSA-N 1 1 278.827 3.470 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+](C)[C@H](C)c1cnn(C)c1 ZINC000347684409 526929241 /nfs/dbraw/zinc/92/92/41/526929241.db2.gz QMKKCXKHDPTCNL-CQSZACIVSA-N 1 1 285.391 3.178 20 30 CGEDMO C=CCOc1ccccc1C[N@H+](C)[C@H](C)c1cnn(C)c1 ZINC000347684409 526929246 /nfs/dbraw/zinc/92/92/46/526929246.db2.gz QMKKCXKHDPTCNL-CQSZACIVSA-N 1 1 285.391 3.178 20 30 CGEDMO C=CCc1cc(C[N@H+]2CCC23CCC3)cc(OC)c1O ZINC000353646572 527237058 /nfs/dbraw/zinc/23/70/58/527237058.db2.gz DUAVSPJMTXMWEF-UHFFFAOYSA-N 1 1 273.376 3.258 20 30 CGEDMO C=CCC[N@@H+](Cc1cccs1)[C@H]1C=C[C@H](CO)C1 ZINC000347333592 527326411 /nfs/dbraw/zinc/32/64/11/527326411.db2.gz HXABHFSZONOIGD-KBPBESRZSA-N 1 1 263.406 3.063 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](CCN1CCCCCC1)C1CCC1 ZINC000347481195 527453095 /nfs/dbraw/zinc/45/30/95/527453095.db2.gz UDTXGABGRIUSML-GOSISDBHSA-N 1 1 294.483 3.044 20 30 CGEDMO C=CCC[C@@H](O)CN(CC[NH+]1CCCCCC1)C1CCC1 ZINC000347481195 527453102 /nfs/dbraw/zinc/45/31/02/527453102.db2.gz UDTXGABGRIUSML-GOSISDBHSA-N 1 1 294.483 3.044 20 30 CGEDMO CC(C)Oc1cccc(C[NH+]2CCC(F)(C#N)CC2)c1 ZINC000352490578 528223285 /nfs/dbraw/zinc/22/32/85/528223285.db2.gz KDLWVKHUKIXGMD-UHFFFAOYSA-N 1 1 276.355 3.301 20 30 CGEDMO CC(C)C[C@H](CO)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439432321 528541121 /nfs/dbraw/zinc/54/11/21/528541121.db2.gz PYHRGKPQZOFPDX-CQSZACIVSA-N 1 1 280.799 3.050 20 30 CGEDMO CC[N@@H+](CCOc1ccccc1C#N)Cc1occc1C ZINC000412024897 528573823 /nfs/dbraw/zinc/57/38/23/528573823.db2.gz GPQZGQNDAGZZJE-UHFFFAOYSA-N 1 1 284.359 3.361 20 30 CGEDMO CC[N@H+](Cc1occc1C)Cc1cc(C#N)ccc1OC ZINC000412032627 528918075 /nfs/dbraw/zinc/91/80/75/528918075.db2.gz ZLBHYWCCNZFLLS-UHFFFAOYSA-N 1 1 284.359 3.490 20 30 CGEDMO CC[N@@H+](Cc1occc1C)Cc1cc(C#N)ccc1OC ZINC000412032627 528918079 /nfs/dbraw/zinc/91/80/79/528918079.db2.gz ZLBHYWCCNZFLLS-UHFFFAOYSA-N 1 1 284.359 3.490 20 30 CGEDMO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2nc(C#N)cs2)C1 ZINC000356108344 529232934 /nfs/dbraw/zinc/23/29/34/529232934.db2.gz INYDWMMEITVEPA-NEPJUHHUSA-N 1 1 281.450 3.121 20 30 CGEDMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2nc(C#N)cs2)C1 ZINC000356108344 529232936 /nfs/dbraw/zinc/23/29/36/529232936.db2.gz INYDWMMEITVEPA-NEPJUHHUSA-N 1 1 281.450 3.121 20 30 CGEDMO CCCCCCC[N@@H+](C)Cc1cccc(C(N)=O)c1 ZINC000740875288 571890950 /nfs/dbraw/zinc/89/09/50/571890950.db2.gz QUALVGLSOIDEGU-UHFFFAOYSA-N 1 1 262.397 3.188 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)C[C@H](CC)c1ccccc1 ZINC000729812120 571932557 /nfs/dbraw/zinc/93/25/57/571932557.db2.gz MDGAHAOHHDSCAY-WMZOPIPTSA-N 1 1 299.414 3.211 20 30 CGEDMO C[C@H]([N@@H+](C)Cc1ccc(OCC#N)cc1)C(C)(C)C ZINC000731210421 572402282 /nfs/dbraw/zinc/40/22/82/572402282.db2.gz MDJJQBJLSGFBGB-ZDUSSCGKSA-N 1 1 260.381 3.455 20 30 CGEDMO CC(C)C[N@H+](CCC#N)CCO[C@H]1CCCC[C@H]1C ZINC000739914633 572427083 /nfs/dbraw/zinc/42/70/83/572427083.db2.gz MNDYKTCWYANDPH-CVEARBPZSA-N 1 1 266.429 3.453 20 30 CGEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)c1ccc(C(C)(C)C)cc1 ZINC000732062531 572447869 /nfs/dbraw/zinc/44/78/69/572447869.db2.gz UDTPXWOGABHNFX-KRWDZBQOSA-N 1 1 298.430 3.045 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)c1ccc(C(C)(C)C)cc1 ZINC000732062531 572447873 /nfs/dbraw/zinc/44/78/73/572447873.db2.gz UDTPXWOGABHNFX-KRWDZBQOSA-N 1 1 298.430 3.045 20 30 CGEDMO C[C@H]1C[C@H](C)[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000740885076 572466553 /nfs/dbraw/zinc/46/65/53/572466553.db2.gz YNVIKOZVOUPLNO-RYUDHWBXSA-N 1 1 278.783 3.473 20 30 CGEDMO CC(C)[N@H+](CCC#N)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000741253898 572490825 /nfs/dbraw/zinc/49/08/25/572490825.db2.gz YHHHDGIGXCSMJC-UHFFFAOYSA-N 1 1 299.418 3.047 20 30 CGEDMO CC(C)[N@@H+](CCC#N)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000741253898 572490829 /nfs/dbraw/zinc/49/08/29/572490829.db2.gz YHHHDGIGXCSMJC-UHFFFAOYSA-N 1 1 299.418 3.047 20 30 CGEDMO CC[N@H+]1CCC(=NNCc2cccc3cccnc32)[C@H](C)C1 ZINC000741460078 572500010 /nfs/dbraw/zinc/50/00/10/572500010.db2.gz LSQXKLCPFRNSQM-CQSZACIVSA-N 1 1 296.418 3.042 20 30 CGEDMO C=CC[N@@H+](CC1CCCCC1)[C@H](C)C(=O)OCCC ZINC000741786526 572528607 /nfs/dbraw/zinc/52/86/07/572528607.db2.gz BOEWGLZHBGPFAL-CQSZACIVSA-N 1 1 267.413 3.396 20 30 CGEDMO CC[N@@H+](Cc1ccc(C(=O)OCCCC#N)cc1)C(C)C ZINC000726055044 572547783 /nfs/dbraw/zinc/54/77/83/572547783.db2.gz ZEKIBSGLLKSUBU-UHFFFAOYSA-N 1 1 288.391 3.377 20 30 CGEDMO CCCCCCCCC[N@@H+](C)CN1C[C@@H](C)CC1=O ZINC000733294846 572552448 /nfs/dbraw/zinc/55/24/48/572552448.db2.gz PONBXQATOQKZSC-HNNXBMFYSA-N 1 1 268.445 3.495 20 30 CGEDMO C=CC[N@H+](CN1C(=O)[C@@H](C)[C@@H]1c1ccccc1)C(C)C ZINC000743349971 572650036 /nfs/dbraw/zinc/65/00/36/572650036.db2.gz GYDRXZLCDDNJKD-GOEBONIOSA-N 1 1 272.392 3.060 20 30 CGEDMO C=CC[N@@H+](CN1C(=O)[C@@H](C)[C@@H]1c1ccccc1)C(C)C ZINC000743349971 572650038 /nfs/dbraw/zinc/65/00/38/572650038.db2.gz GYDRXZLCDDNJKD-GOEBONIOSA-N 1 1 272.392 3.060 20 30 CGEDMO C#CC[N@@H+](CC)Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000746457123 572872019 /nfs/dbraw/zinc/87/20/19/572872019.db2.gz YZYZQWKDZGXBKR-UHFFFAOYSA-N 1 1 274.751 3.450 20 30 CGEDMO C#CC[N@H+](CC)Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000746457123 572872022 /nfs/dbraw/zinc/87/20/22/572872022.db2.gz YZYZQWKDZGXBKR-UHFFFAOYSA-N 1 1 274.751 3.450 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CC)C1 ZINC000963345577 613240555 /nfs/dbraw/zinc/24/05/55/613240555.db2.gz HBVCJSSKJCFTRB-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)C(C)(C)C(=C)Cl)CC1 ZINC000981242805 613251158 /nfs/dbraw/zinc/25/11/58/613251158.db2.gz RRBBQFIXGBMZEA-UHFFFAOYSA-N 1 1 298.858 3.266 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2CC(C)(C)C2)C1 ZINC000965989950 613264709 /nfs/dbraw/zinc/26/47/09/613264709.db2.gz KTYXWXQRYCFOIV-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C(C)=C2CCC2)[C@@H](C)C1 ZINC000942041113 613265372 /nfs/dbraw/zinc/26/53/72/613265372.db2.gz KUIVXEHGGAEPFX-WMLDXEAASA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C2(C)CC=CC2)C1 ZINC000968236571 613268835 /nfs/dbraw/zinc/26/88/35/613268835.db2.gz VAMMOEOFAXCRTP-HOTGVXAUSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)CCC2CCCC2)C1 ZINC000971002486 613288249 /nfs/dbraw/zinc/28/82/49/613288249.db2.gz GFUIGZKSKDOOHT-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC000971591735 613289931 /nfs/dbraw/zinc/28/99/31/613289931.db2.gz JEYMKICYKNMOJC-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2sccc2Cl)C1 ZINC000971584493 613292469 /nfs/dbraw/zinc/29/24/69/613292469.db2.gz HKWGRVINGVWHKH-NSHDSACASA-N 1 1 298.839 3.124 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C(C)=C2CCCC2)C[C@@H]1C ZINC000947196598 613326879 /nfs/dbraw/zinc/32/68/79/613326879.db2.gz XKSMSJOSSDCJOV-WMLDXEAASA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2(F)CCCCC2)C[C@@H]1C ZINC000947894505 613326920 /nfs/dbraw/zinc/32/69/20/613326920.db2.gz ALFSKKGWUPQYTP-LSDHHAIUSA-N 1 1 296.430 3.204 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C(F)=C2CCCC2)[C@H](C)C1 ZINC000941950843 613326938 /nfs/dbraw/zinc/32/69/38/613326938.db2.gz PXXNJKMESYUZBF-UKRRQHHQSA-N 1 1 294.414 3.187 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C23CCC(CC2)C3)C[C@@H]1C ZINC000947450293 613326985 /nfs/dbraw/zinc/32/69/85/613326985.db2.gz RKBQSLLRPNNARD-UERKLNTKSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@]2(C)C=CCC2)C(C)(C)C1 ZINC000940958812 613328686 /nfs/dbraw/zinc/32/86/86/613328686.db2.gz JXAWRDLINDCLCH-CRAIPNDOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C2=CCCCCC2)[C@H](C)C1 ZINC000941991270 613334691 /nfs/dbraw/zinc/33/46/91/613334691.db2.gz DSKJMBCQWQAPPU-WBVHZDCISA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C2CCC=CCC2)[C@H](C)C1 ZINC000944995152 613334933 /nfs/dbraw/zinc/33/49/33/613334933.db2.gz QBYWDECGUXZENH-WBVHZDCISA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc(C)s2)[C@@H](C)C1 ZINC000941753357 613335993 /nfs/dbraw/zinc/33/59/93/613335993.db2.gz XYKRULVSLPIBNM-JSGCOSHPSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)C2CCC(=C)CC2)C(C)(C)C1 ZINC000974986368 613341095 /nfs/dbraw/zinc/34/10/95/613341095.db2.gz IHRIBPILZNLYDY-INIZCTEOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)C[C@H]2C=CCCC2)C(C)(C)C1 ZINC000974720292 613341368 /nfs/dbraw/zinc/34/13/68/613341368.db2.gz MLWRCQKSUIGJBK-HOTGVXAUSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)C1CCCC1 ZINC000968729441 613373002 /nfs/dbraw/zinc/37/30/02/613373002.db2.gz FWSBCEBRDLSNBB-HNNXBMFYSA-N 1 1 298.858 3.290 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)C1CCCC1 ZINC000968729441 613373003 /nfs/dbraw/zinc/37/30/03/613373003.db2.gz FWSBCEBRDLSNBB-HNNXBMFYSA-N 1 1 298.858 3.290 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C(C)=C2CCC2)C[C@H]1C ZINC000947301221 613376141 /nfs/dbraw/zinc/37/61/41/613376141.db2.gz PPTHWBYCFHXOQX-IUODEOHRSA-N 1 1 296.842 3.208 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C(C)=C2CCC2)C[C@H]1C ZINC000947301221 613376142 /nfs/dbraw/zinc/37/61/42/613376142.db2.gz PPTHWBYCFHXOQX-IUODEOHRSA-N 1 1 296.842 3.208 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC2CCCC2)[C@@H](C)C1 ZINC000941766997 613376237 /nfs/dbraw/zinc/37/62/37/613376237.db2.gz CHLUPKRELKQVCH-SWLSCSKDSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC2CCCC2)[C@@H](C)C1 ZINC000941766997 613376238 /nfs/dbraw/zinc/37/62/38/613376238.db2.gz CHLUPKRELKQVCH-SWLSCSKDSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCC)C2)C1 ZINC000961102291 613379557 /nfs/dbraw/zinc/37/95/57/613379557.db2.gz SYJHVLBGPYQJNH-CABCVRRESA-N 1 1 298.858 3.100 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](CCC(C)C)[C@@H](C)C2)C1 ZINC000947702300 613397597 /nfs/dbraw/zinc/39/75/97/613397597.db2.gz MDELQDXDKZZAAT-JKSUJKDBSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[N@@H+](C[C@@H](F)CC)CC2)CC1 ZINC000981884430 613405135 /nfs/dbraw/zinc/40/51/35/613405135.db2.gz FHMOYEXGCZCMPF-INIZCTEOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[N@H+](C[C@@H](F)CC)CC2)CC1 ZINC000981884430 613405136 /nfs/dbraw/zinc/40/51/36/613405136.db2.gz FHMOYEXGCZCMPF-INIZCTEOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[N@H+](CC(C)C)[C@@H](C)C2)CC1 ZINC000947686490 613411940 /nfs/dbraw/zinc/41/19/40/613411940.db2.gz ZGHPYAUSRVLGCG-RDJZCZTQSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[N@H+](CCC)[C@@H](C)C2)CC1 ZINC000947686274 613412832 /nfs/dbraw/zinc/41/28/32/613412832.db2.gz WDMPWYDEKWZYKK-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]([C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000961229384 613432044 /nfs/dbraw/zinc/43/20/44/613432044.db2.gz MBPYUMSSQDTGGV-HZPDHXFCSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCC1 ZINC000960829891 613473209 /nfs/dbraw/zinc/47/32/09/613473209.db2.gz YIEWDYDSIXRSST-AEFFLSMTSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)c1cccs1 ZINC000968738724 613490562 /nfs/dbraw/zinc/49/05/62/613490562.db2.gz ZNIWNDNHIWZHHC-CQSZACIVSA-N 1 1 292.448 3.299 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCC2(C)C)CC1 ZINC000948696921 613499816 /nfs/dbraw/zinc/49/98/16/613499816.db2.gz BUMISANWQDKJQQ-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccoc2C)CC1 ZINC000948172983 613500291 /nfs/dbraw/zinc/50/02/91/613500291.db2.gz GSKLONOHOZHNSZ-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2CCC2)C1 ZINC000963246068 613500351 /nfs/dbraw/zinc/50/03/51/613500351.db2.gz HAZGBHRJRFEXFX-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C)s2)C1 ZINC000964709096 613516109 /nfs/dbraw/zinc/51/61/09/613516109.db2.gz HCXKBBNNZFLXDA-OCCSQVGLSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)=C2CCCC2)C1 ZINC000965891021 613516488 /nfs/dbraw/zinc/51/64/88/613516488.db2.gz PIXITAARUVSWMA-RHSMWYFYSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)oc2C)C[C@H]1C ZINC000947031924 613523592 /nfs/dbraw/zinc/52/35/92/613523592.db2.gz IOMWGQFKUXFNPO-IUODEOHRSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(F)s2)C[C@@H]1C ZINC000948086131 613524712 /nfs/dbraw/zinc/52/47/12/613524712.db2.gz LNRVKTSSIGWCHQ-NWDGAFQWSA-N 1 1 296.411 3.046 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)C(C)=C2CCCC2)[C@@H](C)C1 ZINC000941944153 613533303 /nfs/dbraw/zinc/53/33/03/613533303.db2.gz SEGIAOKBGGSMRK-YOEHRIQHSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)=C2CCC2)C[C@@H]1C ZINC000947301588 613533395 /nfs/dbraw/zinc/53/33/95/613533395.db2.gz WHQZAFCWVQFMBJ-BBRMVZONSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C=C2CCCCC2)C[C@@H]1C ZINC000947109432 613534676 /nfs/dbraw/zinc/53/46/76/613534676.db2.gz VILSREDAWXMQHK-RDJZCZTQSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C=C2CCCCC2)C[C@H]1C ZINC000947109433 613534945 /nfs/dbraw/zinc/53/49/45/613534945.db2.gz VILSREDAWXMQHK-WBVHZDCISA-N 1 1 290.451 3.422 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)C[C@H]2CCCC(C)(C)C2)C1 ZINC000972732200 613628936 /nfs/dbraw/zinc/62/89/36/613628936.db2.gz ISXUBKATXHJBQP-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccccc1C ZINC000968735786 613684978 /nfs/dbraw/zinc/68/49/78/613684978.db2.gz RFESBVQEZZMTNH-MRXNPFEDSA-N 1 1 286.419 3.155 20 30 CGEDMO C=CC[N@H+]1CCCCC[C@H]1CNC(=O)C1CCC=CCC1 ZINC000969144508 613685454 /nfs/dbraw/zinc/68/54/54/613685454.db2.gz NMEHCNIGKAGUOB-KRWDZBQOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1cc(C)c(C)o1 ZINC000968807159 613685998 /nfs/dbraw/zinc/68/59/98/613685998.db2.gz ZYOVEQPFFLBNQE-HNNXBMFYSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CC[N@H+]1CCCN(C(=O)CC2CCCCCC2)CC1 ZINC000982039081 613688314 /nfs/dbraw/zinc/68/83/14/613688314.db2.gz ZVWZGPAGBKQFEQ-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)C=C2CCCCC2)CC1 ZINC000948208255 613700191 /nfs/dbraw/zinc/70/01/91/613700191.db2.gz HZFUBSDHUOKPGV-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)C[C@H]2C=CCCC2)CC1 ZINC000948542348 613700853 /nfs/dbraw/zinc/70/08/53/613700853.db2.gz QNBMQNXTBAQHAX-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC2(C)CC2)C1 ZINC000963335993 613702970 /nfs/dbraw/zinc/70/29/70/613702970.db2.gz BBGCGMQRFRHJMI-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)c2cc3ccccc3o2)[C@@H](C)C1 ZINC000944633226 613750701 /nfs/dbraw/zinc/75/07/01/613750701.db2.gz DZJCAQRZOWZQGH-DZGCQCFKSA-N 1 1 298.386 3.059 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2csc(Cl)c2)C[C@@H]1C ZINC000947776819 613760207 /nfs/dbraw/zinc/76/02/07/613760207.db2.gz YNEAVMGSYFYAGK-CMPLNLGQSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2CCC(C)(C)CC2)C[C@@H]1C ZINC000948083876 613780168 /nfs/dbraw/zinc/78/01/68/613780168.db2.gz ZHHPMFGDJWSMRD-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)cs2)C[C@@H]1C ZINC000947776053 613788780 /nfs/dbraw/zinc/78/87/80/613788780.db2.gz SZLKVIXCVFAIRW-JQWIXIFHSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC)s2)C[C@@H]1C ZINC000947516749 613790440 /nfs/dbraw/zinc/79/04/40/613790440.db2.gz WYDZDEJCLWDFRD-STQMWFEESA-N 1 1 292.448 3.079 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)c2ccc(Cl)s2)[C@H](C)C1 ZINC000944653098 613790674 /nfs/dbraw/zinc/79/06/74/613790674.db2.gz KQTZAMUUEXKPNB-MNOVXSKESA-N 1 1 298.839 3.028 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000899508351 620704817 /nfs/dbraw/zinc/70/48/17/620704817.db2.gz CHKNRWRSVPMHLR-QGZVFWFLSA-N 1 1 289.423 3.335 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1cscc1C(F)(F)F)[C@@H]1CCCO1 ZINC000811491124 617625810 /nfs/dbraw/zinc/62/58/10/617625810.db2.gz AAVDFVPLSYZWHD-NEPJUHHUSA-N 1 1 289.322 3.037 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccc(F)cc2)no1 ZINC000899992982 620742978 /nfs/dbraw/zinc/74/29/78/620742978.db2.gz ADXIMTRVYRZZIY-GFCCVEGCSA-N 1 1 261.300 3.232 20 30 CGEDMO C#CCCCCCC[N@H+]1CCn2c(cnc2C(F)(F)F)C1 ZINC000932578122 617841083 /nfs/dbraw/zinc/84/10/83/617841083.db2.gz APLAGIBOADFEIH-UHFFFAOYSA-N 1 1 299.340 3.301 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2=CCCCCC2)C1 ZINC001010741845 617991112 /nfs/dbraw/zinc/99/11/12/617991112.db2.gz RCPHJERHJMHQAW-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C[N@@H+](CCOc1ccc(F)cc1)Cc1csc(C#N)c1 ZINC000891528996 618236635 /nfs/dbraw/zinc/23/66/35/618236635.db2.gz SCOQTOINNILVMK-UHFFFAOYSA-N 1 1 290.363 3.270 20 30 CGEDMO C[N@@H+](CCOc1ccccc1F)Cc1csc(C#N)c1 ZINC000891529948 618236763 /nfs/dbraw/zinc/23/67/63/618236763.db2.gz UOFDMUJEQKOPNT-UHFFFAOYSA-N 1 1 290.363 3.270 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933773200 618326738 /nfs/dbraw/zinc/32/67/38/618326738.db2.gz GVTOIUXDMWJAPN-UHFFFAOYSA-N 1 1 281.384 3.432 20 30 CGEDMO C=CC1(CC(=O)N2CC[C@H](C[N@H+](C)CC)C2)CCCCC1 ZINC000933797042 618330739 /nfs/dbraw/zinc/33/07/39/618330739.db2.gz BZUCIJKLAGUNKQ-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO N#CC1CC[NH+](Cc2ccc(C(F)F)c(F)c2)CC1 ZINC000891852750 618340278 /nfs/dbraw/zinc/34/02/78/618340278.db2.gz RNYJBTIQERLKAB-UHFFFAOYSA-N 1 1 268.282 3.499 20 30 CGEDMO C=CCCCCC[N@@H+](C)Cc1nc(Br)c[nH]1 ZINC000892068485 618515520 /nfs/dbraw/zinc/51/55/20/618515520.db2.gz ACWSSSYLJFUDNO-UHFFFAOYSA-N 1 1 286.217 3.350 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1nc(Br)c[nH]1 ZINC000892068485 618515528 /nfs/dbraw/zinc/51/55/28/618515528.db2.gz ACWSSSYLJFUDNO-UHFFFAOYSA-N 1 1 286.217 3.350 20 30 CGEDMO C=CCCCN(CC)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000900862028 620816894 /nfs/dbraw/zinc/81/68/94/620816894.db2.gz MXULAVZAZNQQMV-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO C[C@@H]1C[N@@H+](CCC(C)(C)C#N)CCN1c1ccccc1 ZINC000934320946 618593345 /nfs/dbraw/zinc/59/33/45/618593345.db2.gz YCDHGLSFDQGWJG-OAHLLOKOSA-N 1 1 271.408 3.137 20 30 CGEDMO C#CCCCCC[N@@H+]1CCC[C@H]1c1ccc(OC)cn1 ZINC000934340962 618601848 /nfs/dbraw/zinc/60/18/48/618601848.db2.gz FKFJFBIAFZGVCD-KRWDZBQOSA-N 1 1 272.392 3.421 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1CC(=O)Nc1ccccc1C(C)C ZINC000934471257 618627406 /nfs/dbraw/zinc/62/74/06/618627406.db2.gz IHZXFANMLVGJHU-CQSZACIVSA-N 1 1 272.392 3.399 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1CC(=O)Nc1ccccc1C(C)C ZINC000934471257 618627409 /nfs/dbraw/zinc/62/74/09/618627409.db2.gz IHZXFANMLVGJHU-CQSZACIVSA-N 1 1 272.392 3.399 20 30 CGEDMO CC#CCC[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000156626121 618712822 /nfs/dbraw/zinc/71/28/22/618712822.db2.gz HAMRJPRRSIJQEC-UHFFFAOYSA-N 1 1 269.344 3.401 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@H]2c2cccn2C)cc1 ZINC000179707649 618799440 /nfs/dbraw/zinc/79/94/40/618799440.db2.gz NEVASKMFHVWTHY-IBGZPJMESA-N 1 1 294.398 3.374 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1c(F)cccc1Br)C(C)C ZINC000309350691 618860341 /nfs/dbraw/zinc/86/03/41/618860341.db2.gz MRNHBRKAWIDEBK-CYBMUJFWSA-N 1 1 284.172 3.336 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)CCC[C@H]1C ZINC001017906152 618891247 /nfs/dbraw/zinc/89/12/47/618891247.db2.gz VSZZPEIUWCZCIN-XLMAVXFVSA-N 1 1 290.451 3.064 20 30 CGEDMO COCC(C)(C)[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000930554075 619016185 /nfs/dbraw/zinc/01/61/85/619016185.db2.gz HLCDJYHEZIHOPC-UHFFFAOYSA-N 1 1 266.772 3.068 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2sccc2C)C1 ZINC001006601949 619022059 /nfs/dbraw/zinc/02/20/59/619022059.db2.gz JVFBEBHVJBOORM-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO COC[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000930666805 619052098 /nfs/dbraw/zinc/05/20/98/619052098.db2.gz XIOQGBRIWFAWTL-OAHLLOKOSA-N 1 1 278.783 3.213 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](C2CC(OCc3ccccc3)C2)C1 ZINC000930816507 619078849 /nfs/dbraw/zinc/07/88/49/619078849.db2.gz MMNJWRCFOYCGOE-IPJUCJBFSA-N 1 1 283.415 3.470 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)o2)C1 ZINC000930924806 619092508 /nfs/dbraw/zinc/09/25/08/619092508.db2.gz WGMIFOKNIBDHLC-AWEZNQCLSA-N 1 1 281.359 3.467 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@H]2CSC)cc1 ZINC000093761233 619214751 /nfs/dbraw/zinc/21/47/51/619214751.db2.gz YMZWTQSMEKREMH-INIZCTEOSA-N 1 1 289.444 3.416 20 30 CGEDMO COCC[N@@H+](Cc1csc(C#N)c1)[C@H]1CC[C@@H](C)C1 ZINC000894002049 619349503 /nfs/dbraw/zinc/34/95/03/619349503.db2.gz UPBPBHMCNAXLJH-OCCSQVGLSA-N 1 1 278.421 3.257 20 30 CGEDMO CCC(CC)CN(CCC#N)Cc1n[nH]c(C)c1C ZINC000894004162 619350428 /nfs/dbraw/zinc/35/04/28/619350428.db2.gz ZMNCQOBYCVOVEN-UHFFFAOYSA-N 1 1 262.401 3.178 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894004053 619350459 /nfs/dbraw/zinc/35/04/59/619350459.db2.gz WRGHBQQVPYTDHZ-UHFFFAOYSA-N 1 1 286.379 3.030 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894004053 619350461 /nfs/dbraw/zinc/35/04/61/619350461.db2.gz WRGHBQQVPYTDHZ-UHFFFAOYSA-N 1 1 286.379 3.030 20 30 CGEDMO CCC[N@@H+](CCCOc1ccc(C#N)cc1)C1CC1 ZINC000034674573 619376229 /nfs/dbraw/zinc/37/62/29/619376229.db2.gz HVWBDDJYVATWCQ-UHFFFAOYSA-N 1 1 258.365 3.202 20 30 CGEDMO CC[N@H+](Cc1ccccc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000034674407 619376244 /nfs/dbraw/zinc/37/62/44/619376244.db2.gz APGMMCPWIMEKNU-SFHVURJKSA-N 1 1 280.371 3.114 20 30 CGEDMO C=CC[C@H](C)[NH+]1CCN(C2CCC(C)CC2)CC1 ZINC000878109615 619421102 /nfs/dbraw/zinc/42/11/02/619421102.db2.gz WMHHSWXOUJZSJN-PCKAHOCUSA-N 1 1 250.430 3.147 20 30 CGEDMO CSc1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)o1 ZINC000895229896 619785848 /nfs/dbraw/zinc/78/58/48/619785848.db2.gz YVXGXQLSVQTDJS-NSHDSACASA-N 1 1 250.367 3.127 20 30 CGEDMO CSc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)o1 ZINC000895229896 619785850 /nfs/dbraw/zinc/78/58/50/619785850.db2.gz YVXGXQLSVQTDJS-NSHDSACASA-N 1 1 250.367 3.127 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CC[C@@H](c3nccs3)C2)cc1 ZINC000895581264 619856551 /nfs/dbraw/zinc/85/65/51/619856551.db2.gz MVTSUVNNBSMZHC-OAHLLOKOSA-N 1 1 268.385 3.114 20 30 CGEDMO C=C(C)C[C@H]([NH2+]C1CCC(C(F)F)CC1)C(=O)OCC ZINC000895597599 619858691 /nfs/dbraw/zinc/85/86/91/619858691.db2.gz JQLYWYUVXSZKOX-BPCQOVAHSA-N 1 1 289.366 3.298 20 30 CGEDMO Oc1ccc([C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)cc1 ZINC000895665947 619868222 /nfs/dbraw/zinc/86/82/22/619868222.db2.gz HFGYVEBEJKWDIN-SFHVURJKSA-N 1 1 277.367 3.233 20 30 CGEDMO C=CCC1(O)CC[NH+](Cc2cscc2Cl)CC1 ZINC000895835263 619894773 /nfs/dbraw/zinc/89/47/73/619894773.db2.gz CGTAHDXPXWAFAJ-UHFFFAOYSA-N 1 1 271.813 3.305 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)cc1 ZINC000895847233 619896030 /nfs/dbraw/zinc/89/60/30/619896030.db2.gz SXUSDJBELPDGRX-PKOBYXMFSA-N 1 1 299.414 3.090 20 30 CGEDMO COC1(OC)CC2(C[N@@H+](C[C@H](C)CCC#N)[C@H]2C(C)C)C1 ZINC000895990099 619920279 /nfs/dbraw/zinc/92/02/79/619920279.db2.gz RUEUNRRNMZXTEO-CABCVRRESA-N 1 1 294.439 3.036 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCS[C@H](C(F)(F)F)C1 ZINC000896456285 620011997 /nfs/dbraw/zinc/01/19/97/620011997.db2.gz RPENTIAASQDUQW-JTQLQIEISA-N 1 1 280.359 3.296 20 30 CGEDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC[C@@H](C#N)C1 ZINC000788020182 620164515 /nfs/dbraw/zinc/16/45/15/620164515.db2.gz OIGSLKDMBHFWLO-ZYHUDNBSSA-N 1 1 293.754 3.372 20 30 CGEDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC[C@@H](C#N)C1 ZINC000788020182 620164518 /nfs/dbraw/zinc/16/45/18/620164518.db2.gz OIGSLKDMBHFWLO-ZYHUDNBSSA-N 1 1 293.754 3.372 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000897269964 620175481 /nfs/dbraw/zinc/17/54/81/620175481.db2.gz ULTPTYBFIQCVQU-GOEBONIOSA-N 1 1 264.413 3.065 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)c2c(C)coc2C)CC1 ZINC000985413796 620182194 /nfs/dbraw/zinc/18/21/94/620182194.db2.gz UIJSJQVHTMMXMJ-UHFFFAOYSA-N 1 1 290.407 3.009 20 30 CGEDMO Cc1cccc2c1[C@@H](C)/C(=C/c1c[nH+]c(N(C)C)n1C)C2=O ZINC000840721059 620195886 /nfs/dbraw/zinc/19/58/86/620195886.db2.gz RJEDIYOHTYWFGR-ZENNRRHLSA-N 1 1 295.386 3.178 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2CCCC2(C)C)CC1 ZINC000985585576 620216502 /nfs/dbraw/zinc/21/65/02/620216502.db2.gz PECVXTYMOCWGQY-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@@H]2CC)CC1 ZINC000985636290 620223996 /nfs/dbraw/zinc/22/39/96/620223996.db2.gz IQIBJYLQKMBQMR-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCCC[C@H]2CC)CC1 ZINC000985726202 620232528 /nfs/dbraw/zinc/23/25/28/620232528.db2.gz WXAPQDDMUPPYGM-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2c(F)cccc2Br)C1 ZINC000862447020 620298808 /nfs/dbraw/zinc/29/88/08/620298808.db2.gz GMHMUYUFOZRSFN-LLVKDONJSA-N 1 1 296.183 3.433 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(F)cc1C ZINC000785998676 620393809 /nfs/dbraw/zinc/39/38/09/620393809.db2.gz KFGQWAZICSGBFD-ZBFHGGJFSA-N 1 1 263.356 3.208 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@@H]1C[C@]1(C)Br ZINC000897624495 620411149 /nfs/dbraw/zinc/41/11/49/620411149.db2.gz MAOZODLAKOJKKR-JQWIXIFHSA-N 1 1 299.237 3.225 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H]2CC[C@H](C)CC2)CC1 ZINC000989524621 620516248 /nfs/dbraw/zinc/51/62/48/620516248.db2.gz ZSQGAFCZNMMJAE-QAQDUYKDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@H+]1CCCN(C(=O)c2sccc2C(C)C)CC1 ZINC000989719583 620522339 /nfs/dbraw/zinc/52/23/39/620522339.db2.gz JODTUJFTXXKWPP-UHFFFAOYSA-N 1 1 292.448 3.205 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)c2sccc2C(C)C)CC1 ZINC000989719583 620522342 /nfs/dbraw/zinc/52/23/42/620522342.db2.gz JODTUJFTXXKWPP-UHFFFAOYSA-N 1 1 292.448 3.205 20 30 CGEDMO C=CCC[N@H+]1CCCN(C(=O)[C@H](C=C)c2ccccc2)CC1 ZINC000989718740 620522388 /nfs/dbraw/zinc/52/23/88/620522388.db2.gz CBAPRZIUMPEHHF-GOSISDBHSA-N 1 1 298.430 3.067 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)c3ccsc3)CCC[C@H]12 ZINC000989935454 620533062 /nfs/dbraw/zinc/53/30/62/620533062.db2.gz GRDKGNBKVIVBGW-GOEBONIOSA-N 1 1 290.432 3.051 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)C(C)=C3CCCC3)CCC[C@H]12 ZINC000990194263 620538102 /nfs/dbraw/zinc/53/81/02/620538102.db2.gz ROQAFSPRAFZMJY-FUHWJXTLSA-N 1 1 288.435 3.176 20 30 CGEDMO C=CCC[C@H]([NH2+]C[C@H]1CCCN(C)C1)[C@@]1(C)CCCCO1 ZINC000902795676 621451297 /nfs/dbraw/zinc/45/12/97/621451297.db2.gz FONBANJQWHASIK-FGTMMUONSA-N 1 1 294.483 3.212 20 30 CGEDMO CC[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1cccc(C#N)c1 ZINC000902882404 621483105 /nfs/dbraw/zinc/48/31/05/621483105.db2.gz UUVSHAMVQVJGAO-JKSUJKDBSA-N 1 1 280.375 3.400 20 30 CGEDMO COCC[C@@H]([NH2+][C@H](C)c1cc(C#N)ccn1)c1ccc(C)o1 ZINC000902943426 621496804 /nfs/dbraw/zinc/49/68/04/621496804.db2.gz ZOSRZEBIILFYPD-UKRRQHHQSA-N 1 1 299.374 3.283 20 30 CGEDMO C[C@H]([NH2+]Cc1cnccc1C(C)(C)C)c1cc(C#N)ccn1 ZINC000903020032 621532844 /nfs/dbraw/zinc/53/28/44/621532844.db2.gz UZWVHWPYWNMKMG-ZDUSSCGKSA-N 1 1 294.402 3.497 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CCC1)c1ccc2c(c1)COC2 ZINC000903032751 621535909 /nfs/dbraw/zinc/53/59/09/621535909.db2.gz WUGIQAZXULVCKT-LBPRGKRZSA-N 1 1 256.349 3.061 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1cc(Br)cs1 ZINC000903106365 621579731 /nfs/dbraw/zinc/57/97/31/621579731.db2.gz OLJXOXVUELHOBM-MRVPVSSYSA-N 1 1 285.210 3.465 20 30 CGEDMO COc1ccc2c(c1F)CC[C@H]2[NH2+]CC1(C#N)CCCC1 ZINC000903109317 621582518 /nfs/dbraw/zinc/58/25/18/621582518.db2.gz NEXWQBVSUUIUJI-CQSZACIVSA-N 1 1 288.366 3.495 20 30 CGEDMO C[C@H]([NH2+]Cc1cc(N(C)C)ccn1)c1ccc(C#N)c(F)c1 ZINC000903198367 621622719 /nfs/dbraw/zinc/62/27/19/621622719.db2.gz JSIJKXFRJBYXMH-LBPRGKRZSA-N 1 1 298.365 3.009 20 30 CGEDMO Cc1cccc2c1[C@H]([NH2+]Cc1nc(C#N)cs1)CC2 ZINC000903262406 621647861 /nfs/dbraw/zinc/64/78/61/621647861.db2.gz DYELVYBHUYCBLD-CYBMUJFWSA-N 1 1 269.373 3.100 20 30 CGEDMO CC[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc2c(c1)CCO2 ZINC000903264021 621649206 /nfs/dbraw/zinc/64/92/06/621649206.db2.gz QKQGATUSJJHADZ-AWEZNQCLSA-N 1 1 299.399 3.191 20 30 CGEDMO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H](c1ncccn1)C1CC1)CC2 ZINC000903326601 621699958 /nfs/dbraw/zinc/69/99/58/621699958.db2.gz YZNSFUUKAHRKIC-SJORKVTESA-N 1 1 290.370 3.076 20 30 CGEDMO CCCN(Cc1cc(Cl)cc(C#N)c1)C1CC[NH2+]CC1 ZINC000903446484 621758021 /nfs/dbraw/zinc/75/80/21/621758021.db2.gz XEBREXQPRMKRLM-UHFFFAOYSA-N 1 1 291.826 3.176 20 30 CGEDMO C[N@@H+](CC(=O)N(O)Cc1cccc2ccccc21)C1CCC1 ZINC000904172650 621884261 /nfs/dbraw/zinc/88/42/61/621884261.db2.gz IJGBCSMQQWSATR-UHFFFAOYSA-N 1 1 298.386 3.042 20 30 CGEDMO N#CCc1cc(-c2ccc(C[NH+]3CCOCC3)cc2)cs1 ZINC000904798389 621994570 /nfs/dbraw/zinc/99/45/70/621994570.db2.gz GLFHMVMYHCEJLA-UHFFFAOYSA-N 1 1 298.411 3.313 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)C[C@H]3C=CCCC3)CCC[C@H]12 ZINC000991333739 622536928 /nfs/dbraw/zinc/53/69/28/622536928.db2.gz SAPWJPYQGTUZEM-XYJFISCASA-N 1 1 288.435 3.032 20 30 CGEDMO C[N@@H+](CCSc1ccnc(C#N)c1)Cc1ccccc1 ZINC000912099540 622605853 /nfs/dbraw/zinc/60/58/53/622605853.db2.gz JIXYVEXFCOOODI-UHFFFAOYSA-N 1 1 283.400 3.177 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1cccc(OCC(F)(F)F)c1 ZINC000769960288 625580717 /nfs/dbraw/zinc/58/07/17/625580717.db2.gz ADDKUZIQTRJYJM-NSHDSACASA-N 1 1 271.282 3.081 20 30 CGEDMO CCc1ccc2c(C[NH+]3CCC(C#N)CC3)cc(=O)oc2c1 ZINC000057907451 622891890 /nfs/dbraw/zinc/89/18/90/622891890.db2.gz IIKLICANJZHRHJ-UHFFFAOYSA-N 1 1 296.370 3.091 20 30 CGEDMO CC[C@@H]([NH2+]Cc1ccc(OC)c(C#N)c1)c1nccs1 ZINC000087824422 623245541 /nfs/dbraw/zinc/24/55/41/623245541.db2.gz WJBFNGDTXJFDFE-CYBMUJFWSA-N 1 1 287.388 3.264 20 30 CGEDMO CC(C)[C@H]1CCC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000063618929 623341350 /nfs/dbraw/zinc/34/13/50/623341350.db2.gz DGAPSDOWXNXVAO-QGZVFWFLSA-N 1 1 272.392 3.448 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCCC3(C)C)CCC[C@@H]12 ZINC000992120952 623440438 /nfs/dbraw/zinc/44/04/38/623440438.db2.gz VJNDZNBMUFDBLB-IIDMSEBBSA-N 1 1 290.451 3.112 20 30 CGEDMO C[C@H]1CC(N=Nc2cc(Cl)nc(Cl)c2)CC[N@H+]1C ZINC000819831373 625668511 /nfs/dbraw/zinc/66/85/11/625668511.db2.gz MBNCWZWTQFWAMR-QMMMGPOBSA-N 1 1 287.194 3.270 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C2CCCC2)[C@@H]1C ZINC000992945640 623755726 /nfs/dbraw/zinc/75/57/26/623755726.db2.gz MZSPGKQCKKLXLT-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CC2CCCC2)[C@@H]1C ZINC000992989888 623772568 /nfs/dbraw/zinc/77/25/68/623772568.db2.gz UQPOXSWARRJBJI-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)CC2CCCCC2)[C@@H]1C ZINC000993007954 623783456 /nfs/dbraw/zinc/78/34/56/623783456.db2.gz ZVCDUQDHCIFPTE-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO Cc1[nH+]c(CN=Nc2ccccc2F)c2ccccn12 ZINC000914599925 623835447 /nfs/dbraw/zinc/83/54/47/623835447.db2.gz ODLAKJQAGIFRHR-UHFFFAOYSA-N 1 1 268.295 3.228 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C=C2CCCCC2)[C@@H]1C ZINC000993110522 623843214 /nfs/dbraw/zinc/84/32/14/623843214.db2.gz UBPPXSLANTZCGH-DOTOQJQBSA-N 1 1 290.451 3.422 20 30 CGEDMO CCN(CC)c1ccc(C=[NH+]OCC(F)(F)F)cc1 ZINC000764836074 623951852 /nfs/dbraw/zinc/95/18/52/623951852.db2.gz PKFHFZVQXFDFPT-UHFFFAOYSA-N 1 1 274.286 3.446 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccoc2Cl)[C@@H]1C ZINC000993218670 623978975 /nfs/dbraw/zinc/97/89/75/623978975.db2.gz QXMJGLWBIGNLRB-WCQYABFASA-N 1 1 296.798 3.092 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2F)[C@H]1C ZINC000993263915 623997300 /nfs/dbraw/zinc/99/73/00/623997300.db2.gz LCGQVOHNOQJGQC-DGCLKSJQSA-N 1 1 296.411 3.046 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C2CC(C)(C)C2)[C@@H]1C ZINC000993323616 624023013 /nfs/dbraw/zinc/02/30/13/624023013.db2.gz FYEJPNWNFVRTHT-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2csc(C)c2C)[C@@H]1C ZINC000993369189 624037766 /nfs/dbraw/zinc/03/77/66/624037766.db2.gz RMWVYZXMDHJBIY-WFASDCNBSA-N 1 1 292.448 3.134 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2occc2Cl)[C@H]1C ZINC000993774484 624062279 /nfs/dbraw/zinc/06/22/79/624062279.db2.gz MIIUUIBWNXYQEH-YPMHNXCESA-N 1 1 296.798 3.092 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](CCC(C)C)[C@H]2C)C1 ZINC000993787733 624063990 /nfs/dbraw/zinc/06/39/90/624063990.db2.gz IXDSWEHINCVJMN-HOTGVXAUSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2csc(Cl)c2)[C@H]1C ZINC000993937134 624065874 /nfs/dbraw/zinc/06/58/74/624065874.db2.gz GUMPEBHSTWDSRG-ZYHUDNBSSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccsc2Cl)[C@@H]1C ZINC000993945296 624066936 /nfs/dbraw/zinc/06/69/36/624066936.db2.gz XXIJABXOYGCASY-CMPLNLGQSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C2(F)CCCCC2)[C@@H]1C ZINC000994155604 624070611 /nfs/dbraw/zinc/07/06/11/624070611.db2.gz DZDFWFUUSFMCCD-GJZGRUSLSA-N 1 1 296.430 3.204 20 30 CGEDMO C=CC[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C(C)C ZINC000917069210 624233160 /nfs/dbraw/zinc/23/31/60/624233160.db2.gz KQGRGPNNPJSFTC-UHFFFAOYSA-N 1 1 252.289 3.130 20 30 CGEDMO C=CC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C(C)C ZINC000917069210 624233162 /nfs/dbraw/zinc/23/31/62/624233162.db2.gz KQGRGPNNPJSFTC-UHFFFAOYSA-N 1 1 252.289 3.130 20 30 CGEDMO C=CC[N@H+](Cc1nc(-c2cccs2)no1)C(C)C ZINC000917070437 624234093 /nfs/dbraw/zinc/23/40/93/624234093.db2.gz BIARHZHCRSLWMY-UHFFFAOYSA-N 1 1 263.366 3.195 20 30 CGEDMO C=CC[N@@H+](Cc1nc(-c2cccs2)no1)C(C)C ZINC000917070437 624234097 /nfs/dbraw/zinc/23/40/97/624234097.db2.gz BIARHZHCRSLWMY-UHFFFAOYSA-N 1 1 263.366 3.195 20 30 CGEDMO C=CC[N@H+](CC(=O)N[C@@H](c1ccccc1)C(C)C)C(C)C ZINC000917071378 624234347 /nfs/dbraw/zinc/23/43/47/624234347.db2.gz SFGQASDTRBXIRP-GOSISDBHSA-N 1 1 288.435 3.396 20 30 CGEDMO CCCCC(N)=[NH+]OCc1nc(C(F)(F)F)cs1 ZINC000154269858 624235071 /nfs/dbraw/zinc/23/50/71/624235071.db2.gz CGAMDMQEWPASRK-UHFFFAOYSA-N 1 1 281.303 3.141 20 30 CGEDMO C[C@H](C#N)C[N@H+](C[C@@H]1CCC[C@H](C(F)(F)F)O1)C1CC1 ZINC000930088177 624414516 /nfs/dbraw/zinc/41/45/16/624414516.db2.gz ZBWQTAFAKJWNOI-KGYLQXTDSA-N 1 1 290.329 3.110 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C[C@@H]1CCC[C@H](C(F)(F)F)O1)C1CC1 ZINC000930088177 624414517 /nfs/dbraw/zinc/41/45/17/624414517.db2.gz ZBWQTAFAKJWNOI-KGYLQXTDSA-N 1 1 290.329 3.110 20 30 CGEDMO C[N@H+]1CC[C@@H](CSc2cccc(C#N)c2Cl)C1 ZINC000920282332 624466535 /nfs/dbraw/zinc/46/65/35/624466535.db2.gz NFYCJQNUPPFKSR-SNVBAGLBSA-N 1 1 266.797 3.255 20 30 CGEDMO C=CCC1(C(=O)O[C@H](C)Cn2cc[nH+]c2C)CCCC1 ZINC000835210916 634396670 /nfs/dbraw/zinc/39/66/70/634396670.db2.gz BSNWAZMDTISPMU-CYBMUJFWSA-N 1 1 276.380 3.260 20 30 CGEDMO CC[N@@H+](CCCOc1ccc(C#N)cc1)CC1CC1 ZINC000069238141 624812316 /nfs/dbraw/zinc/81/23/16/624812316.db2.gz CCFAOPOKCHEJOF-UHFFFAOYSA-N 1 1 258.365 3.059 20 30 CGEDMO CC(C)CNN=C1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000767386794 624864945 /nfs/dbraw/zinc/86/49/45/624864945.db2.gz VNDMDYOYZNBZOK-OAHLLOKOSA-N 1 1 273.424 3.130 20 30 CGEDMO CC(C)CNN=C1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000767386794 624864947 /nfs/dbraw/zinc/86/49/47/624864947.db2.gz VNDMDYOYZNBZOK-OAHLLOKOSA-N 1 1 273.424 3.130 20 30 CGEDMO Cc1cnc(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)s1 ZINC000182003061 624928965 /nfs/dbraw/zinc/92/89/65/624928965.db2.gz LHZNGBLOBHWRSC-GFCCVEGCSA-N 1 1 287.388 3.205 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2ccco2)CC1 ZINC000997909314 625767663 /nfs/dbraw/zinc/76/76/63/625767663.db2.gz OXCYIDQRSFVPNV-OAHLLOKOSA-N 1 1 290.407 3.172 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)C2CC(C)C2)CC1 ZINC000997964474 625776940 /nfs/dbraw/zinc/77/69/40/625776940.db2.gz FGXZDAFSRHOHOO-OFLPRAFFSA-N 1 1 292.467 3.312 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C ZINC000921791077 625876267 /nfs/dbraw/zinc/87/62/67/625876267.db2.gz RCUOZLBHVRHGLE-AYHJJNSGSA-N 1 1 297.446 3.280 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000921791077 625876268 /nfs/dbraw/zinc/87/62/68/625876268.db2.gz RCUOZLBHVRHGLE-AYHJJNSGSA-N 1 1 297.446 3.280 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000921791077 625876271 /nfs/dbraw/zinc/87/62/71/625876271.db2.gz RCUOZLBHVRHGLE-AYHJJNSGSA-N 1 1 297.446 3.280 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2sccc2C(C)C)C1 ZINC001016328596 625951378 /nfs/dbraw/zinc/95/13/78/625951378.db2.gz WTTDBXLZLVWRIM-CYBMUJFWSA-N 1 1 292.448 3.252 20 30 CGEDMO CCn1ccnc1[C@@H](C)[NH2+]Cc1c(C)cc(C#N)cc1C ZINC000922164342 625977590 /nfs/dbraw/zinc/97/75/90/625977590.db2.gz KHXHSIDFJBNLPB-CQSZACIVSA-N 1 1 282.391 3.242 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)CC2CC2)CC1 ZINC001004314926 626034163 /nfs/dbraw/zinc/03/41/63/626034163.db2.gz APJOKNIFJNDEDK-QGZVFWFLSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)C2(C)CC2)CC1 ZINC001004443634 626057833 /nfs/dbraw/zinc/05/78/33/626057833.db2.gz SQYXOLWQRASFFU-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO CC[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](O)CC#N ZINC000929320390 626063373 /nfs/dbraw/zinc/06/33/73/626063373.db2.gz XKDVIZPCTFHBKK-LLVKDONJSA-N 1 1 287.190 3.090 20 30 CGEDMO C#CC[N@@H+](Cc1cc(C)nnc1C)[C@@H]1CCc2ccccc21 ZINC000929332993 626082758 /nfs/dbraw/zinc/08/27/58/626082758.db2.gz DZMTZGLHXQXWMJ-LJQANCHMSA-N 1 1 291.398 3.216 20 30 CGEDMO C#CC[N@H+](Cc1cc(C)nnc1C)[C@@H]1CCc2ccccc21 ZINC000929332993 626082759 /nfs/dbraw/zinc/08/27/59/626082759.db2.gz DZMTZGLHXQXWMJ-LJQANCHMSA-N 1 1 291.398 3.216 20 30 CGEDMO C=CCC[C@H]([NH2+]Cc1cnn(CC)n1)c1ccccc1 ZINC000838978363 626290076 /nfs/dbraw/zinc/29/00/76/626290076.db2.gz BPAHQOPIOZPITA-INIZCTEOSA-N 1 1 270.380 3.095 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1 ZINC000839193743 626329403 /nfs/dbraw/zinc/32/94/03/626329403.db2.gz WZDKXPAUFCRQJI-RBUKOAKNSA-N 1 1 283.415 3.041 20 30 CGEDMO Cc1cc(N)cc(C)c1C=[NH+]Nc1ccc(C#N)cc1 ZINC000752728323 626436342 /nfs/dbraw/zinc/43/63/42/626436342.db2.gz ZBMVOIPCIGJLHC-UHFFFAOYSA-N 1 1 264.332 3.203 20 30 CGEDMO C[C@@H]1CC(N=Nc2ccc3ccccc3n2)C[N@H+]1C1CC1 ZINC000753955664 626470059 /nfs/dbraw/zinc/47/00/59/626470059.db2.gz SAJHHCWMUZZKME-GFCCVEGCSA-N 1 1 280.375 3.259 20 30 CGEDMO C#CC[N@@H+](CCCOCc1ccccc1)C1CCCC1 ZINC000754062439 626473905 /nfs/dbraw/zinc/47/39/05/626473905.db2.gz SVPLFWJOCPFEMH-UHFFFAOYSA-N 1 1 271.404 3.471 20 30 CGEDMO C=CCCCCCCNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000805070543 626586549 /nfs/dbraw/zinc/58/65/49/626586549.db2.gz KUVBKMKMXQQQEW-CVEARBPZSA-N 1 1 293.455 3.049 20 30 CGEDMO CC(=NO[C@@H]1CCCCO1)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000755815215 626649495 /nfs/dbraw/zinc/64/94/95/626649495.db2.gz PZXXVESUUUJWPL-QGZVFWFLSA-N 1 1 299.374 3.448 20 30 CGEDMO C[C@@H]1C[N@H+](C2CC2)CC1N=Nc1ccc(Cl)cc1 ZINC000755874301 626655551 /nfs/dbraw/zinc/65/55/51/626655551.db2.gz MDLWUPHMMIGNHB-SNVBAGLBSA-N 1 1 263.772 3.222 20 30 CGEDMO CC[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000755994251 626666928 /nfs/dbraw/zinc/66/69/28/626666928.db2.gz DUJXDRQQPODJBO-LBPRGKRZSA-N 1 1 278.783 3.474 20 30 CGEDMO C#CC[N@H+]1CCC[C@H]1c1ccccc1Br ZINC000755997153 626667498 /nfs/dbraw/zinc/66/74/98/626667498.db2.gz DWBGWLOCJRGWNX-ZDUSSCGKSA-N 1 1 264.166 3.219 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H]1c1ccccc1Br ZINC000755997153 626667502 /nfs/dbraw/zinc/66/75/02/626667502.db2.gz DWBGWLOCJRGWNX-ZDUSSCGKSA-N 1 1 264.166 3.219 20 30 CGEDMO C#CC[N@@H+](Cc1cnn(-c2ccccc2)c1)C1CCCC1 ZINC000756911004 626740897 /nfs/dbraw/zinc/74/08/97/626740897.db2.gz JTPCOJZBIQIKMK-UHFFFAOYSA-N 1 1 279.387 3.250 20 30 CGEDMO C#CC[C@@H]([NH2+]Cc1cccc(OCC)n1)c1ccccc1 ZINC000756997878 626746189 /nfs/dbraw/zinc/74/61/89/626746189.db2.gz PMEQTKFUYFWTDW-QGZVFWFLSA-N 1 1 280.371 3.335 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1ncc(C(C)(C)C)s1)C(C)C ZINC000809685495 626766905 /nfs/dbraw/zinc/76/69/05/626766905.db2.gz WJEYKHODDVTBEP-LLVKDONJSA-N 1 1 250.411 3.188 20 30 CGEDMO CC(C)(C)C[C@H]1CC[N@@H+](CCOCCC#N)C1(C)C ZINC000839666816 626773250 /nfs/dbraw/zinc/77/32/50/626773250.db2.gz TVFHWPUHAVKPJV-CQSZACIVSA-N 1 1 266.429 3.453 20 30 CGEDMO C=C(CC)C[N@@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC000839642261 626774328 /nfs/dbraw/zinc/77/43/28/626774328.db2.gz QMHDHFXVRXZVJH-AWEZNQCLSA-N 1 1 298.224 3.381 20 30 CGEDMO CCCC[N@@H+](Cn1cccc(C#N)c1=O)C1CCCCC1 ZINC000758207713 626833479 /nfs/dbraw/zinc/83/34/79/626833479.db2.gz BVEWQYBRTKNJNX-UHFFFAOYSA-N 1 1 287.407 3.112 20 30 CGEDMO CC(=NOCC(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000758906298 626865696 /nfs/dbraw/zinc/86/56/96/626865696.db2.gz DOOXBGLOTBMZQP-CQSZACIVSA-N 1 1 282.334 3.166 20 30 CGEDMO C#CC[N@H+](C[C@@H](O)c1ccc(Cl)c(F)c1)C1CCCC1 ZINC000759849746 626926586 /nfs/dbraw/zinc/92/65/86/626926586.db2.gz ACJCTCFQOFGKGH-MRXNPFEDSA-N 1 1 295.785 3.390 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000760819666 626994113 /nfs/dbraw/zinc/99/41/13/626994113.db2.gz NLFGBCKIFQMURP-HNNXBMFYSA-N 1 1 292.220 3.479 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000761114151 627017748 /nfs/dbraw/zinc/01/77/48/627017748.db2.gz LMRNZWYEDZAMRF-HNNXBMFYSA-N 1 1 266.429 3.044 20 30 CGEDMO C[C@H]1CC(N=Nc2ccc(C#N)c(C(F)(F)F)c2)C[N@H+]1C ZINC000761813022 627062840 /nfs/dbraw/zinc/06/28/40/627062840.db2.gz SVDORNJBKXOOFO-VIFPVBQESA-N 1 1 296.296 3.069 20 30 CGEDMO C#CCOc1ccccc1CNc1nc(C)[nH+]c(C)c1C ZINC000761897048 627072911 /nfs/dbraw/zinc/07/29/11/627072911.db2.gz CPBOMWTZXNZMAT-UHFFFAOYSA-N 1 1 281.359 3.026 20 30 CGEDMO CC[N@H+](Cc1ccc(C)cc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000763396830 627155893 /nfs/dbraw/zinc/15/58/93/627155893.db2.gz HXSVMYBZWSKEKL-IBGZPJMESA-N 1 1 294.398 3.422 20 30 CGEDMO CC[N@H+](Cc1ccc(C)cc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000763396831 627156028 /nfs/dbraw/zinc/15/60/28/627156028.db2.gz HXSVMYBZWSKEKL-LJQANCHMSA-N 1 1 294.398 3.422 20 30 CGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CC[C@H]2c2cccc(F)c2)cc1 ZINC000763413271 627156984 /nfs/dbraw/zinc/15/69/84/627156984.db2.gz IVEMVQHRCSOJEY-ZWKOTPCHSA-N 1 1 296.345 3.178 20 30 CGEDMO C#CC[N@H+](CCC(=O)Nc1cccc2ccccc21)C1CC1 ZINC000763943975 627186312 /nfs/dbraw/zinc/18/63/12/627186312.db2.gz INDFVEYBJURKHV-UHFFFAOYSA-N 1 1 292.382 3.266 20 30 CGEDMO C#CCCC[N@@H+]1C[C@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000766904129 627368983 /nfs/dbraw/zinc/36/89/83/627368983.db2.gz WUVFMFUHGZOBNM-FUHWJXTLSA-N 1 1 271.404 3.479 20 30 CGEDMO C#CCN(CC[C@@H]1CCC[N@@H+]1C)[C@@H]1CCc2ccccc21 ZINC000767363930 627401723 /nfs/dbraw/zinc/40/17/23/627401723.db2.gz MDGBMBMXUDRGHC-PKOBYXMFSA-N 1 1 282.431 3.093 20 30 CGEDMO C#CCCC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000767731020 627432882 /nfs/dbraw/zinc/43/28/82/627432882.db2.gz PSERHMMYVCHFJL-UHFFFAOYSA-N 1 1 250.345 3.061 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+](C)Cc1ccccc1OC ZINC000768162798 627465101 /nfs/dbraw/zinc/46/51/01/627465101.db2.gz ITWHEFOKOCANAJ-UHFFFAOYSA-N 1 1 295.382 3.339 20 30 CGEDMO C#CCOc1ccccc1C[N@H+](C)Cc1ccccc1OC ZINC000768162798 627465102 /nfs/dbraw/zinc/46/51/02/627465102.db2.gz ITWHEFOKOCANAJ-UHFFFAOYSA-N 1 1 295.382 3.339 20 30 CGEDMO C#CC[N@H+](Cc1cc(OC)c(C)cc1O)C1CCCCC1 ZINC000768441296 627480736 /nfs/dbraw/zinc/48/07/36/627480736.db2.gz YEAIEIHRNUXPFT-UHFFFAOYSA-N 1 1 287.403 3.477 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(N2CCCC2)nc1)C1CCCCC1 ZINC000769145659 627525764 /nfs/dbraw/zinc/52/57/64/627525764.db2.gz MCEXRDURMJRPPX-UHFFFAOYSA-N 1 1 297.446 3.450 20 30 CGEDMO CC1=CC[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000769445678 627553090 /nfs/dbraw/zinc/55/30/90/627553090.db2.gz KIDDDGJPUYLXES-CQSZACIVSA-N 1 1 256.349 3.129 20 30 CGEDMO CC[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)C1CCC1 ZINC000769467331 627556285 /nfs/dbraw/zinc/55/62/85/627556285.db2.gz UKVZMQQFOCIIKS-CYBMUJFWSA-N 1 1 258.365 3.352 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OC)c(OCC)c1)C1CCCC1 ZINC000769530375 627563182 /nfs/dbraw/zinc/56/31/82/627563182.db2.gz LUORXHXJMHYCFK-UHFFFAOYSA-N 1 1 287.403 3.472 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(C(F)(F)F)cn1)C(C)C ZINC000769712293 627574112 /nfs/dbraw/zinc/57/41/12/627574112.db2.gz ZWPMLROIEIVQGJ-UHFFFAOYSA-N 1 1 258.287 3.497 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(Br)cc1F ZINC000769961994 627592919 /nfs/dbraw/zinc/59/29/19/627592919.db2.gz UWTQGLWHMADTGT-VIFPVBQESA-N 1 1 270.145 3.042 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(Br)cc1F ZINC000769961994 627592924 /nfs/dbraw/zinc/59/29/24/627592924.db2.gz UWTQGLWHMADTGT-VIFPVBQESA-N 1 1 270.145 3.042 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)CCOc1cc(Cl)ccc1Cl ZINC000769962001 627593156 /nfs/dbraw/zinc/59/31/56/627593156.db2.gz VLPPIJLXPVZBIT-SNVBAGLBSA-N 1 1 272.175 3.326 20 30 CGEDMO C=CC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1O)C1CC1 ZINC000772379789 627788748 /nfs/dbraw/zinc/78/87/48/627788748.db2.gz BFQFDJLSZRHQSK-UHFFFAOYSA-N 1 1 279.767 3.399 20 30 CGEDMO C=C(Cl)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000773003170 627840245 /nfs/dbraw/zinc/84/02/45/627840245.db2.gz AVWORICXIOPEMP-SNVBAGLBSA-N 1 1 254.717 3.306 20 30 CGEDMO C#CCCCCC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000773276527 627870745 /nfs/dbraw/zinc/87/07/45/627870745.db2.gz WDVVLHZRAKFCNP-FUHWJXTLSA-N 1 1 298.430 3.132 20 30 CGEDMO C=C(CC)C[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000773474606 627888294 /nfs/dbraw/zinc/88/82/94/627888294.db2.gz USCLQIAHIGEOIO-KGLIPLIRSA-N 1 1 282.428 3.188 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000775179310 628069631 /nfs/dbraw/zinc/06/96/31/628069631.db2.gz NBWXXWXZYUNLHZ-GFCCVEGCSA-N 1 1 285.366 3.082 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000775179310 628069634 /nfs/dbraw/zinc/06/96/34/628069634.db2.gz NBWXXWXZYUNLHZ-GFCCVEGCSA-N 1 1 285.366 3.082 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1cc(C)c(C)cc1OC(F)F ZINC000775182656 628069711 /nfs/dbraw/zinc/06/97/11/628069711.db2.gz FFKYWMPURGMXBT-LBPRGKRZSA-N 1 1 267.319 3.358 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)CCCc1c(F)cccc1Cl ZINC000775179818 628069893 /nfs/dbraw/zinc/06/98/93/628069893.db2.gz SCBROZUBBIQMCM-LLVKDONJSA-N 1 1 253.748 3.365 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1sc2nc(C)nc(C)c2c1C ZINC000775184684 628071156 /nfs/dbraw/zinc/07/11/56/628071156.db2.gz XMUZNVARFLLKPU-VIFPVBQESA-N 1 1 273.405 3.070 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1ccc(-c2ccc(F)cc2)o1)[C@H]1CCCO1 ZINC000775339218 628083787 /nfs/dbraw/zinc/08/37/87/628083787.db2.gz ATUNMAJUKWSTQB-SJLPKXTDSA-N 1 1 299.345 3.356 20 30 CGEDMO CC[N@H+](CCN[C@@H]1CCCc2cc(C#N)ccc21)C(C)C ZINC000775379771 628087012 /nfs/dbraw/zinc/08/70/12/628087012.db2.gz BGOFHFPSRJXRTQ-GOSISDBHSA-N 1 1 285.435 3.256 20 30 CGEDMO CC[N@@H+](CCN[C@@H]1CCCc2cc(C#N)ccc21)C(C)C ZINC000775379771 628087015 /nfs/dbraw/zinc/08/70/15/628087015.db2.gz BGOFHFPSRJXRTQ-GOSISDBHSA-N 1 1 285.435 3.256 20 30 CGEDMO C=C(C)CC[N@@H+](C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000775639221 628118505 /nfs/dbraw/zinc/11/85/05/628118505.db2.gz OIBRIAXPHPXRMU-HNNXBMFYSA-N 1 1 294.439 3.426 20 30 CGEDMO C=C(C)[C@H]([NH2+]C/C=C(/C)C(=O)OC)c1ccc(F)c(F)c1 ZINC000775725561 628129037 /nfs/dbraw/zinc/12/90/37/628129037.db2.gz UQNRTHFORFWFMJ-QARUFBMTSA-N 1 1 295.329 3.291 20 30 CGEDMO C#CCC[N@H+]1CCc2c(Br)cc(C)cc2C1 ZINC000778190676 628333024 /nfs/dbraw/zinc/33/30/24/628333024.db2.gz RRIKHUQKDBKKQZ-UHFFFAOYSA-N 1 1 278.193 3.139 20 30 CGEDMO C#CCC[N@@H+]1CCc2c(Br)cc(C)cc2C1 ZINC000778190676 628333026 /nfs/dbraw/zinc/33/30/26/628333026.db2.gz RRIKHUQKDBKKQZ-UHFFFAOYSA-N 1 1 278.193 3.139 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@@H+](C)[C@H]1CCSC1 ZINC000779154632 628390903 /nfs/dbraw/zinc/39/09/03/628390903.db2.gz YXTDEKLBNQJRKN-LBPRGKRZSA-N 1 1 295.835 3.289 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@H+](C)[C@H]1CCSC1 ZINC000779154632 628390906 /nfs/dbraw/zinc/39/09/06/628390906.db2.gz YXTDEKLBNQJRKN-LBPRGKRZSA-N 1 1 295.835 3.289 20 30 CGEDMO CC(=NNC1=[NH+]C[C@H](C)N1)c1ccc(-c2ccccc2)cc1 ZINC000779802182 628433005 /nfs/dbraw/zinc/43/30/05/628433005.db2.gz BTBJHWJSJVJVIR-ZDUSSCGKSA-N 1 1 292.386 3.015 20 30 CGEDMO CC(C)c1cccc2c1OCCC2=NNc1cc[nH+]cc1 ZINC000779808570 628433594 /nfs/dbraw/zinc/43/35/94/628433594.db2.gz CNSZPVZPXOWORR-UHFFFAOYSA-N 1 1 281.359 3.226 20 30 CGEDMO C#CCCCC[NH2+]Cc1cc(C)cc(Br)c1O ZINC000781634736 628581602 /nfs/dbraw/zinc/58/16/02/628581602.db2.gz FMKPLCHQZOWYBD-UHFFFAOYSA-N 1 1 296.208 3.356 20 30 CGEDMO Cc1[nH+]c(C=NN[C@@H]2CCCC2(C)C)c2ccccn12 ZINC000782290347 628634780 /nfs/dbraw/zinc/63/47/80/628634780.db2.gz YCQMGBPPTJOCFD-OAHLLOKOSA-N 1 1 270.380 3.145 20 30 CGEDMO CC(=[NH+]NCc1ccc(C#N)cc1)c1ccc(N)cc1Cl ZINC000782907538 628666999 /nfs/dbraw/zinc/66/69/99/628666999.db2.gz HVZIRWWRAYIPRN-UHFFFAOYSA-N 1 1 298.777 3.308 20 30 CGEDMO Cc1cc(O)c(C[N@H+]2CCC[C@@](C)(C#N)C2)cc1C ZINC000784012985 628765472 /nfs/dbraw/zinc/76/54/72/628765472.db2.gz LAPBXQUNYISAJD-INIZCTEOSA-N 1 1 258.365 3.135 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000784484328 628815371 /nfs/dbraw/zinc/81/53/71/628815371.db2.gz YDFMUWWBCALLDA-HIFRSBDPSA-N 1 1 299.336 3.432 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000784504521 628817614 /nfs/dbraw/zinc/81/76/14/628817614.db2.gz JJVGAHFPQWNAPJ-SOUVJXGZSA-N 1 1 294.439 3.188 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000784504484 628817713 /nfs/dbraw/zinc/81/77/13/628817713.db2.gz JJVGAHFPQWNAPJ-KKUMJFAQSA-N 1 1 294.439 3.188 20 30 CGEDMO C#CC[N@H+](CCCSCCOC)Cc1ccc(F)cc1 ZINC000785669074 628878278 /nfs/dbraw/zinc/87/82/78/628878278.db2.gz CXPGYEZXBVERDV-UHFFFAOYSA-N 1 1 295.423 3.031 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1cccc2nsnc21 ZINC000785997324 628906344 /nfs/dbraw/zinc/90/63/44/628906344.db2.gz LGJMZCHFSDAPTN-LBPRGKRZSA-N 1 1 259.378 3.232 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc(F)cc1C ZINC000785998671 628906424 /nfs/dbraw/zinc/90/64/24/628906424.db2.gz KFGQWAZICSGBFD-GDBMZVCRSA-N 1 1 263.356 3.208 20 30 CGEDMO C=CCC[N@H+](C)Cn1ccc(-c2ccc(F)cc2)n1 ZINC000786101805 628914463 /nfs/dbraw/zinc/91/44/63/628914463.db2.gz JWURVPRTPPYJST-UHFFFAOYSA-N 1 1 259.328 3.155 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1ccc(F)c(Br)c1 ZINC000787997775 629038568 /nfs/dbraw/zinc/03/85/68/629038568.db2.gz RLGRZCUDIOSLBM-UHFFFAOYSA-N 1 1 284.172 3.432 20 30 CGEDMO C#CC[N@H+](CCCCOC(C)(C)C)C1CCCC1 ZINC000789331656 629124757 /nfs/dbraw/zinc/12/47/57/629124757.db2.gz RUKLZDFEJPIGHC-UHFFFAOYSA-N 1 1 251.414 3.460 20 30 CGEDMO C#CC[N@@H+](Cc1cnc(C2CC2)o1)C1CCCCC1 ZINC000862235012 629328113 /nfs/dbraw/zinc/32/81/13/629328113.db2.gz KDZQYSRQRHGEMP-UHFFFAOYSA-N 1 1 258.365 3.320 20 30 CGEDMO C=CC[C@@H]([NH2+]Cc1cnc(C2CC2)o1)c1ccncc1 ZINC000862279484 629337861 /nfs/dbraw/zinc/33/78/61/629337861.db2.gz ABYQIVMTNJCSPK-OAHLLOKOSA-N 1 1 269.348 3.354 20 30 CGEDMO CCn1ccc(C[N@@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000792182278 629345563 /nfs/dbraw/zinc/34/55/63/629345563.db2.gz ABZVUBFDPNZALL-HNNXBMFYSA-N 1 1 297.402 3.431 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(OC)c(OCCC)c2)C1 ZINC000862442952 629375619 /nfs/dbraw/zinc/37/56/19/629375619.db2.gz JDBNAIGIYDCCME-OAHLLOKOSA-N 1 1 287.403 3.329 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(OC)cc2Cl)C1 ZINC000862443456 629377232 /nfs/dbraw/zinc/37/72/32/629377232.db2.gz PCSAVXGSSJNZJR-GFCCVEGCSA-N 1 1 263.768 3.194 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2c[nH]nc2-c2cccc(C)c2)C1 ZINC000862445376 629379353 /nfs/dbraw/zinc/37/93/53/629379353.db2.gz RYASVHZWQPMQEJ-HNNXBMFYSA-N 1 1 279.387 3.230 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2conc2Cc2ccccc2)C1 ZINC000862448053 629380806 /nfs/dbraw/zinc/38/08/06/629380806.db2.gz WDCJFBBXICBWGK-MRXNPFEDSA-N 1 1 280.371 3.111 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(OC)c(OC3CC3)c2)C1 ZINC000862447581 629380821 /nfs/dbraw/zinc/38/08/21/629380821.db2.gz OOWKDAGMCONIFT-CQSZACIVSA-N 1 1 285.387 3.082 20 30 CGEDMO C=CC[N@@H+](Cc1ccnn1-c1ccc(F)cc1)C(C)C ZINC000792793697 629382254 /nfs/dbraw/zinc/38/22/54/629382254.db2.gz HICSKWBHNHBENQ-UHFFFAOYSA-N 1 1 273.355 3.408 20 30 CGEDMO CC[C@H]1C[C@@H](C[N@H+]2CCc3c(CC#N)cccc3C2)CCO1 ZINC000862542313 629397314 /nfs/dbraw/zinc/39/73/14/629397314.db2.gz LNDAUZOYTQKYIY-YJBOKZPZSA-N 1 1 298.430 3.316 20 30 CGEDMO C#CC[C@H](Cc1ccccc1)OC(=O)[C@H]1CCCC[N@H+]1CC ZINC000793375033 629450749 /nfs/dbraw/zinc/45/07/49/629450749.db2.gz NVWPZDGRMOANLX-QZTJIDSGSA-N 1 1 299.414 3.039 20 30 CGEDMO C#CC[C@H](Cc1ccccc1)OC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000793375033 629450752 /nfs/dbraw/zinc/45/07/52/629450752.db2.gz NVWPZDGRMOANLX-QZTJIDSGSA-N 1 1 299.414 3.039 20 30 CGEDMO CC(C)(C)c1ncc(C[NH2+]Cc2cc(C#N)ccc2F)cn1 ZINC000793583324 629487178 /nfs/dbraw/zinc/48/71/78/629487178.db2.gz AZMJCYGQFUMUHA-UHFFFAOYSA-N 1 1 298.365 3.075 20 30 CGEDMO C=CCCCCC[C@H](C)N[C@H]1CC[NH2+]C12CCC2 ZINC000863543085 629601615 /nfs/dbraw/zinc/60/16/15/629601615.db2.gz VOVORZYPMASCPQ-GJZGRUSLSA-N 1 1 250.430 3.386 20 30 CGEDMO C=C(Cl)CN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000796438183 629780911 /nfs/dbraw/zinc/78/09/11/629780911.db2.gz QIJNOSDCZCQNCR-KRWDZBQOSA-N 1 1 290.838 3.337 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc(F)cc1C ZINC000796639206 629808856 /nfs/dbraw/zinc/80/88/56/629808856.db2.gz JSXJYHPBGBCJJO-IBGZPJMESA-N 1 1 297.373 3.303 20 30 CGEDMO CC[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(F)cc1O ZINC000796951183 629864498 /nfs/dbraw/zinc/86/44/98/629864498.db2.gz VQKNXLSWMGMFJS-OAHLLOKOSA-N 1 1 285.322 3.039 20 30 CGEDMO C=CC[C@@H](CC)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000798937139 630127534 /nfs/dbraw/zinc/12/75/34/630127534.db2.gz OWIXDRLZHBVASY-WCQYABFASA-N 1 1 277.364 3.184 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3ccccn3)C2)c(F)c1 ZINC000798963429 630129199 /nfs/dbraw/zinc/12/91/99/630129199.db2.gz BVOQVVIWCFDWRD-HNNXBMFYSA-N 1 1 281.334 3.082 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3ccccn3)C2)cc1F ZINC000799195801 630157388 /nfs/dbraw/zinc/15/73/88/630157388.db2.gz LRWPHSBDQYXTLR-HNNXBMFYSA-N 1 1 281.334 3.082 20 30 CGEDMO CC[C@H](c1ccccc1)[N@@H+](CC)CCO[C@@H](C)C#N ZINC000801913224 630364878 /nfs/dbraw/zinc/36/48/78/630364878.db2.gz AXVRCYAEPCARAZ-GOEBONIOSA-N 1 1 260.381 3.388 20 30 CGEDMO Cc1cccc(C[N@H+](CCO[C@H](C)C#N)CC(C)C)c1 ZINC000801914241 630365093 /nfs/dbraw/zinc/36/50/93/630365093.db2.gz UWTSHLUNGUTHDD-MRXNPFEDSA-N 1 1 274.408 3.382 20 30 CGEDMO CC(C)[N@@H+](CCO[C@@H](C)C#N)Cc1cccc(Cl)c1 ZINC000801915610 630365611 /nfs/dbraw/zinc/36/56/11/630365611.db2.gz SNBOOWIZKGRHSR-ZDUSSCGKSA-N 1 1 280.799 3.479 20 30 CGEDMO CC[N@@H+](CCO[C@@H](C)C#N)[C@H](C)c1cccc(OC)c1 ZINC000801915449 630365868 /nfs/dbraw/zinc/36/58/68/630365868.db2.gz LKDVTDXQNYGPGE-UONOGXRCSA-N 1 1 276.380 3.007 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+](Cc1ccccc1)C(C)(C)C ZINC000801927498 630368916 /nfs/dbraw/zinc/36/89/16/630368916.db2.gz SSUDAOUILKDYJC-AWEZNQCLSA-N 1 1 260.381 3.216 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CC[C@H](C)C2(CCCCC2)C1 ZINC000801941197 630372001 /nfs/dbraw/zinc/37/20/01/630372001.db2.gz JXLYOYURNLASLL-GJZGRUSLSA-N 1 1 264.413 3.207 20 30 CGEDMO C=CC[N@H+](CC1CCCCC1)CN1Cc2cccnc2C1=O ZINC000839995253 630450608 /nfs/dbraw/zinc/45/06/08/630450608.db2.gz LVJMMIXVWHZYHT-UHFFFAOYSA-N 1 1 299.418 3.063 20 30 CGEDMO C=CC[N@@H+](CC1CCCCC1)CN1Cc2cccnc2C1=O ZINC000839995253 630450610 /nfs/dbraw/zinc/45/06/10/630450610.db2.gz LVJMMIXVWHZYHT-UHFFFAOYSA-N 1 1 299.418 3.063 20 30 CGEDMO C[N@H+]1CCCC[C@H]1CCC(=O)O[C@H](C#N)C1CCCCC1 ZINC000803855591 630502737 /nfs/dbraw/zinc/50/27/37/630502737.db2.gz JGGONLZRHIGDSV-JKSUJKDBSA-N 1 1 292.423 3.267 20 30 CGEDMO C=CC[N@@H+](CCC(=O)C(C)C)CCc1ccccc1 ZINC000808713362 630669018 /nfs/dbraw/zinc/66/90/18/630669018.db2.gz NSNRZSRRKPCPHQ-UHFFFAOYSA-N 1 1 259.393 3.332 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCOC3(CCCCC3)C2)cc1 ZINC000809582750 630755047 /nfs/dbraw/zinc/75/50/47/630755047.db2.gz CNRQSJUOUUCUAQ-UHFFFAOYSA-N 1 1 269.388 3.203 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)Cc1c(O)cccc1OC ZINC000809716503 630789602 /nfs/dbraw/zinc/78/96/02/630789602.db2.gz PGBVANBTOJOHBK-UHFFFAOYSA-N 1 1 281.355 3.036 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1c(O)cccc1OC ZINC000809716503 630789607 /nfs/dbraw/zinc/78/96/07/630789607.db2.gz PGBVANBTOJOHBK-UHFFFAOYSA-N 1 1 281.355 3.036 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000809729723 630792793 /nfs/dbraw/zinc/79/27/93/630792793.db2.gz XNMNZIMEZLFSSG-SFHVURJKSA-N 1 1 292.382 3.431 20 30 CGEDMO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc2c(c1)CCC2 ZINC000810134085 630841067 /nfs/dbraw/zinc/84/10/67/630841067.db2.gz PSXZYLQXRWJIED-LLVKDONJSA-N 1 1 283.400 3.354 20 30 CGEDMO C=CC[C@H](C(=O)OC)[NH+]1CCC(c2ccsc2)CC1 ZINC000878457005 635515815 /nfs/dbraw/zinc/51/58/15/635515815.db2.gz BCMHSPMTWPELQH-CQSZACIVSA-N 1 1 279.405 3.045 20 30 CGEDMO C#CC[N@@H+](Cc1cc(O)cc(C(F)(F)F)c1)C1CC1 ZINC000811489937 631074878 /nfs/dbraw/zinc/07/48/78/631074878.db2.gz IKVSZOMFGMHDNI-UHFFFAOYSA-N 1 1 269.266 3.009 20 30 CGEDMO C#CC[N@H+](Cc1cc(O)cc(C(F)(F)F)c1)C1CC1 ZINC000811489937 631074881 /nfs/dbraw/zinc/07/48/81/631074881.db2.gz IKVSZOMFGMHDNI-UHFFFAOYSA-N 1 1 269.266 3.009 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)C[C@@H]2CC(C)=C[C@@H](C)C2)n1 ZINC000811497874 631075676 /nfs/dbraw/zinc/07/56/76/631075676.db2.gz WWTMENUOJQEDRM-WBVHZDCISA-N 1 1 285.435 3.331 20 30 CGEDMO C#C[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000811516375 631082516 /nfs/dbraw/zinc/08/25/16/631082516.db2.gz NBXCHQBHHXFOEC-BBWFWOEESA-N 1 1 288.822 3.231 20 30 CGEDMO C=C(C)CN[NH+]=Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000811651046 631098415 /nfs/dbraw/zinc/09/84/15/631098415.db2.gz DRWQWHGOSBFBAW-UHFFFAOYSA-N 1 1 285.313 3.271 20 30 CGEDMO C#CC[N@@H+](CCC[C@H]1CCO1)[C@@H]1CCc2ccccc21 ZINC000876513689 634849817 /nfs/dbraw/zinc/84/98/17/634849817.db2.gz OUYVJJUCHUUBGP-FUHWJXTLSA-N 1 1 269.388 3.178 20 30 CGEDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cccc(C#N)n1 ZINC000876522034 634850591 /nfs/dbraw/zinc/85/05/91/634850591.db2.gz FVHVADMQCBUOOL-UHFFFAOYSA-N 1 1 294.402 3.041 20 30 CGEDMO CC(=[NH+]Nc1ccc(OC(F)F)cc1)c1ccc(N)nc1 ZINC000814828603 631650075 /nfs/dbraw/zinc/65/00/75/631650075.db2.gz LDOZQUACVJOPRU-UHFFFAOYSA-N 1 1 292.289 3.101 20 30 CGEDMO CC[N@@H+](C[C@H](O)c1ccc(C)cc1)[C@H]1CC[C@H](C#N)C1 ZINC000815054525 631709294 /nfs/dbraw/zinc/70/92/94/631709294.db2.gz IAYAEAAKFQUMBL-XIRDDKMYSA-N 1 1 272.392 3.043 20 30 CGEDMO N#CCCCCOC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000815444661 631780670 /nfs/dbraw/zinc/78/06/70/631780670.db2.gz HGESCPCFUOCCNZ-HNNXBMFYSA-N 1 1 278.396 3.021 20 30 CGEDMO C#CC[N@H+](CC#CC)C/C(C)=C\c1ccccc1COC ZINC000816513431 632001151 /nfs/dbraw/zinc/00/11/51/632001151.db2.gz QFQIEHLIPJNMLZ-VKAVYKQESA-N 1 1 281.399 3.195 20 30 CGEDMO C#CC[N@@H+](CC#CC)C/C(C)=C\c1ccccc1COC ZINC000816513431 632001159 /nfs/dbraw/zinc/00/11/59/632001159.db2.gz QFQIEHLIPJNMLZ-VKAVYKQESA-N 1 1 281.399 3.195 20 30 CGEDMO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816598477 632021324 /nfs/dbraw/zinc/02/13/24/632021324.db2.gz DSHQIATYKKBCIU-BONVTDFDSA-N 1 1 299.773 3.256 20 30 CGEDMO C[C@H](N[NH+]=C1CCCCc2ccc(N)cc21)C(F)(F)F ZINC000817330479 632123184 /nfs/dbraw/zinc/12/31/84/632123184.db2.gz NCTXOYZYIJJUKE-VIFPVBQESA-N 1 1 285.313 3.240 20 30 CGEDMO C[C@H](NCc1ccc(CC[NH3+])cc1)c1ccc(C#N)cc1F ZINC000817949554 632245690 /nfs/dbraw/zinc/24/56/90/632245690.db2.gz RGGLFDWFVKZGGP-ZDUSSCGKSA-N 1 1 297.377 3.049 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)C[C@H]1CCC2(CCC2)O1 ZINC000879432963 635786527 /nfs/dbraw/zinc/78/65/27/635786527.db2.gz RDCMMNVRMIYBLW-QGZVFWFLSA-N 1 1 284.403 3.134 20 30 CGEDMO C[N@H+](CCc1cccc(C#N)c1)Cc1noc2c1CCCC2 ZINC000879433896 635787619 /nfs/dbraw/zinc/78/76/19/635787619.db2.gz JAZCWOSDUNBCJT-UHFFFAOYSA-N 1 1 295.386 3.100 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1noc2c1CCCC2 ZINC000879433896 635787623 /nfs/dbraw/zinc/78/76/23/635787623.db2.gz JAZCWOSDUNBCJT-UHFFFAOYSA-N 1 1 295.386 3.100 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc2nonc2c1 ZINC000821341791 632754760 /nfs/dbraw/zinc/75/47/60/632754760.db2.gz DVIKNZZFUYOPJX-UHFFFAOYSA-N 1 1 279.343 3.411 20 30 CGEDMO Cc1cc(C[N@H+](C)C[C@](C)(O)c2ccccc2)ccc1C#N ZINC000822515780 632956170 /nfs/dbraw/zinc/95/61/70/632956170.db2.gz FVPMEHHYLYEDEV-IBGZPJMESA-N 1 1 294.398 3.206 20 30 CGEDMO C#CC[N@H+](C[C@H](OC)C1CC1)[C@@H]1CCc2ccccc21 ZINC000822588724 632980291 /nfs/dbraw/zinc/98/02/91/632980291.db2.gz XLFUANIEZIMOPY-MSOLQXFVSA-N 1 1 269.388 3.034 20 30 CGEDMO Cc1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2O)s1 ZINC000866239478 633040250 /nfs/dbraw/zinc/04/02/50/633040250.db2.gz XKBOOBAQCSQUML-LLVKDONJSA-N 1 1 272.373 3.485 20 30 CGEDMO Cc1noc(C)c1[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866266509 633052529 /nfs/dbraw/zinc/05/25/29/633052529.db2.gz IOADZVIMUALADB-NXEZZACHSA-N 1 1 285.347 3.281 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000866581662 633201918 /nfs/dbraw/zinc/20/19/18/633201918.db2.gz AHOYJHVZWQUVKV-UHOFOFEASA-N 1 1 272.417 3.304 20 30 CGEDMO C#CCCCCCC[N@@H+](C)C1CCN(C(C)C)CC1 ZINC000876559779 634858127 /nfs/dbraw/zinc/85/81/27/634858127.db2.gz HARQXRGSUMSEJV-UHFFFAOYSA-N 1 1 264.457 3.375 20 30 CGEDMO C#CCCCCCC[N@H+](C)C1CCN(C(C)C)CC1 ZINC000876559779 634858130 /nfs/dbraw/zinc/85/81/30/634858130.db2.gz HARQXRGSUMSEJV-UHFFFAOYSA-N 1 1 264.457 3.375 20 30 CGEDMO C=C(Cl)CN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000122074460 633307337 /nfs/dbraw/zinc/30/73/37/633307337.db2.gz PXOLXHZRKVAIRL-UHFFFAOYSA-N 1 1 270.848 3.327 20 30 CGEDMO C[C@H](C1CC1)[N@@H+](Cc1cc(C#N)cnc1Cl)C1CC1 ZINC000876598657 634865386 /nfs/dbraw/zinc/86/53/86/634865386.db2.gz ONGXNYSVWCWLBO-SNVBAGLBSA-N 1 1 275.783 3.370 20 30 CGEDMO C=CCC1(C(=O)N2CC[NH2+][C@H](c3ccccc3C)C2)CCC1 ZINC000825170369 633333878 /nfs/dbraw/zinc/33/38/78/633333878.db2.gz YGKTTXVRJRRZAF-KRWDZBQOSA-N 1 1 298.430 3.214 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[NH2+][C@@H](c2ccccc2C)C1 ZINC000825175693 633334885 /nfs/dbraw/zinc/33/48/85/633334885.db2.gz ZIXBNKZGKQDELF-GOSISDBHSA-N 1 1 298.430 3.236 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(Br)cc1O ZINC000825440084 633354688 /nfs/dbraw/zinc/35/46/88/633354688.db2.gz ARCGVOYPYSSOAH-UHFFFAOYSA-N 1 1 270.170 3.163 20 30 CGEDMO C#CCC[N@H+]1CCC[C@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC000880277947 635962039 /nfs/dbraw/zinc/96/20/39/635962039.db2.gz QSUJQNWBJYQZHO-INIZCTEOSA-N 1 1 279.387 3.279 20 30 CGEDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000826861326 633438172 /nfs/dbraw/zinc/43/81/72/633438172.db2.gz DWIREGWWKQEKEB-IVZVJUQRSA-N 1 1 283.419 3.391 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000826861063 633438360 /nfs/dbraw/zinc/43/83/60/633438360.db2.gz AGJXFZMWDYOFGV-LSDHHAIUSA-N 1 1 283.375 3.103 20 30 CGEDMO C=CCCC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000827817958 633521399 /nfs/dbraw/zinc/52/13/99/633521399.db2.gz MIXPDLQPDLOBKJ-UHFFFAOYSA-N 1 1 294.351 3.143 20 30 CGEDMO C#CCC[N@H+](CCOC)C/C(C)=C\c1ccccc1 ZINC000827822715 633522461 /nfs/dbraw/zinc/52/24/61/633522461.db2.gz CXKZYJBPUUZUNO-PEZBUJJGSA-N 1 1 257.377 3.062 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1cccc(-c2cccnc2)c1 ZINC000827823992 633522737 /nfs/dbraw/zinc/52/27/37/633522737.db2.gz ZFZWWAHSLBMBCU-UHFFFAOYSA-N 1 1 294.398 3.220 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1cc2ccccc2c(OC)c1 ZINC000827826254 633522849 /nfs/dbraw/zinc/52/28/49/633522849.db2.gz AJRIORQTTPRDRB-UHFFFAOYSA-N 1 1 297.398 3.320 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@]1(C)Cc1ccccc1F ZINC000829764765 633778529 /nfs/dbraw/zinc/77/85/29/633778529.db2.gz WQMFSCSMQHCNIP-WMLDXEAASA-N 1 1 290.382 3.151 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](CC(=O)c2cc(C)n(CC)c2C)C1 ZINC000829774792 633780474 /nfs/dbraw/zinc/78/04/74/633780474.db2.gz UFCNADAKIQJSSE-INIZCTEOSA-N 1 1 286.419 3.043 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2CC)C1 ZINC000829774275 633781150 /nfs/dbraw/zinc/78/11/50/633781150.db2.gz OLPAZYOHKIRNPV-HZPDHXFCSA-N 1 1 298.430 3.311 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cc(=O)oc3cc(C)ccc23)C1 ZINC000829789503 633785458 /nfs/dbraw/zinc/78/54/58/633785458.db2.gz XELFTWIDCPUVQH-HNNXBMFYSA-N 1 1 295.382 3.337 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+]([C@@H](C)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000829794067 633785472 /nfs/dbraw/zinc/78/54/72/633785472.db2.gz QOXZBFCYFSDDDX-UONOGXRCSA-N 1 1 295.386 3.132 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+]([C@@H](C)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000829794067 633785480 /nfs/dbraw/zinc/78/54/80/633785480.db2.gz QOXZBFCYFSDDDX-UONOGXRCSA-N 1 1 295.386 3.132 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](CC(=O)c2c[nH]c3ccccc23)C1 ZINC000829793441 633786005 /nfs/dbraw/zinc/78/60/05/633786005.db2.gz FGAXVDMYEDITNC-CQSZACIVSA-N 1 1 280.371 3.086 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc(C(=O)OC)sc2C)C1 ZINC000829789383 633786091 /nfs/dbraw/zinc/78/60/91/633786091.db2.gz UMDAZSTXMHENID-CYBMUJFWSA-N 1 1 291.416 3.078 20 30 CGEDMO C#CC[C@H]1CCC[N@H+]([C@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000829804454 633789297 /nfs/dbraw/zinc/78/92/97/633789297.db2.gz HKEMSERBVGIOOU-KGLIPLIRSA-N 1 1 289.375 3.171 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000829804012 633790220 /nfs/dbraw/zinc/79/02/20/633790220.db2.gz DTVFEIBIRMDJMJ-MRXNPFEDSA-N 1 1 291.398 3.379 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2cc(C(C)(C)C)on2)C1 ZINC000829809815 633793269 /nfs/dbraw/zinc/79/32/69/633793269.db2.gz IHALERIQVYPDOO-CYBMUJFWSA-N 1 1 260.381 3.207 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc(C(C)(C)C)on2)C1 ZINC000829809815 633793271 /nfs/dbraw/zinc/79/32/71/633793271.db2.gz IHALERIQVYPDOO-CYBMUJFWSA-N 1 1 260.381 3.207 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000829815389 633795375 /nfs/dbraw/zinc/79/53/75/633795375.db2.gz KZOKSCGDTAWKTK-LLVKDONJSA-N 1 1 294.301 3.108 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000829815389 633795379 /nfs/dbraw/zinc/79/53/79/633795379.db2.gz KZOKSCGDTAWKTK-LLVKDONJSA-N 1 1 294.301 3.108 20 30 CGEDMO C#CC[N@H+](CC(OCC)OCC)[C@@H]1CCc2ccccc21 ZINC000123916574 633933078 /nfs/dbraw/zinc/93/30/78/633933078.db2.gz AMYOGYFQFQAHSN-QGZVFWFLSA-N 1 1 287.403 3.008 20 30 CGEDMO CC(C)c1cc([C@@H]2CCC[N@H+]([C@@H]3CC[C@H](C#N)C3)C2)[nH]n1 ZINC000872094427 634018930 /nfs/dbraw/zinc/01/89/30/634018930.db2.gz GMUHUNQLSNLPST-RRFJBIMHSA-N 1 1 286.423 3.405 20 30 CGEDMO CC(C)c1cc([C@@H]2CCC[N@@H+]([C@@H]3CC[C@H](C#N)C3)C2)n[nH]1 ZINC000872094427 634018938 /nfs/dbraw/zinc/01/89/38/634018938.db2.gz GMUHUNQLSNLPST-RRFJBIMHSA-N 1 1 286.423 3.405 20 30 CGEDMO CC(C)c1cc([C@@H]2CCC[N@H+]([C@@H]3CC[C@H](C#N)C3)C2)n[nH]1 ZINC000872094427 634018946 /nfs/dbraw/zinc/01/89/46/634018946.db2.gz GMUHUNQLSNLPST-RRFJBIMHSA-N 1 1 286.423 3.405 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000832517606 634070200 /nfs/dbraw/zinc/07/02/00/634070200.db2.gz LTZFYFQPBAAHRL-NHYWBVRUSA-N 1 1 280.318 3.030 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000832517606 634070206 /nfs/dbraw/zinc/07/02/06/634070206.db2.gz LTZFYFQPBAAHRL-NHYWBVRUSA-N 1 1 280.318 3.030 20 30 CGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc([C@H](C)SCC)no1 ZINC000872174493 634077241 /nfs/dbraw/zinc/07/72/41/634077241.db2.gz DTDFCKFYONQETN-JGVFFNPUSA-N 1 1 261.778 3.026 20 30 CGEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2ccc(C)cc2OC)no1 ZINC000872180790 634080507 /nfs/dbraw/zinc/08/05/07/634080507.db2.gz BGQJEGAAVGQIDQ-NSHDSACASA-N 1 1 293.754 3.196 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000832777886 634094922 /nfs/dbraw/zinc/09/49/22/634094922.db2.gz DKJXFWOHCODOJC-UHFFFAOYSA-N 1 1 284.753 3.088 20 30 CGEDMO C=C(Cl)C[N@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000832777886 634094924 /nfs/dbraw/zinc/09/49/24/634094924.db2.gz DKJXFWOHCODOJC-UHFFFAOYSA-N 1 1 284.753 3.088 20 30 CGEDMO C=CC[C@@H]([NH2+][C@@H](C)c1nccn1CC)c1ccncc1 ZINC000834588265 634191426 /nfs/dbraw/zinc/19/14/26/634191426.db2.gz AJQLYYSKDKIXAD-DZGCQCFKSA-N 1 1 270.380 3.266 20 30 CGEDMO CCCCCCCCC(=O)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000834599628 634195616 /nfs/dbraw/zinc/19/56/16/634195616.db2.gz MUDCDQXHYAINBF-JKSUJKDBSA-N 1 1 298.446 3.382 20 30 CGEDMO CCCCCCCC[C@H](C)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000834655354 634209984 /nfs/dbraw/zinc/20/99/84/634209984.db2.gz AJBYXTBAOWJBSY-YESZJQIVSA-N 1 1 294.483 3.393 20 30 CGEDMO C#CCOc1ccc([C@@H](C)[NH2+]Cc2cnc(CCC)o2)cc1 ZINC000834898533 634275617 /nfs/dbraw/zinc/27/56/17/634275617.db2.gz FYVZYCQOJNYQKP-CQSZACIVSA-N 1 1 298.386 3.490 20 30 CGEDMO CON=C1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]12 ZINC000834939043 634290561 /nfs/dbraw/zinc/29/05/61/634290561.db2.gz XFDHKRWLHFOZON-HOCLYGCPSA-N 1 1 258.365 3.063 20 30 CGEDMO Nc1ccc2c(c1)CCCC2=[NH+]OC/C=C\Cl ZINC000834979909 634301959 /nfs/dbraw/zinc/30/19/59/634301959.db2.gz SNIICIOJKYBXHM-GIWJDWNJSA-N 1 1 250.729 3.078 20 30 CGEDMO CSc1ccc(N=NC2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000834998725 634306795 /nfs/dbraw/zinc/30/67/95/634306795.db2.gz KWGPIICLUUXJFB-NSHDSACASA-N 1 1 275.421 3.291 20 30 CGEDMO CC(C)O[NH+]=Cc1ccc(N2CCCCC2)s1 ZINC000835004642 634309854 /nfs/dbraw/zinc/30/98/54/634309854.db2.gz UFYHTIGVJWGMQA-UHFFFAOYSA-N 1 1 252.383 3.497 20 30 CGEDMO CC(C)C[C@@H]1CC[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876725700 634886470 /nfs/dbraw/zinc/88/64/70/634886470.db2.gz ORHZCZSRHQLDTK-LBPRGKRZSA-N 1 1 277.799 3.475 20 30 CGEDMO CCCCCCC[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC000837356959 634895265 /nfs/dbraw/zinc/89/52/65/634895265.db2.gz MAVFUVSGRGLHLZ-AWEZNQCLSA-N 1 1 279.428 3.304 20 30 CGEDMO C#CCCCCCC[N@H+]1CCN(CC(F)F)[C@H](CC)C1 ZINC000876778895 634898197 /nfs/dbraw/zinc/89/81/97/634898197.db2.gz RNKKNFLMCPRFJK-OAHLLOKOSA-N 1 1 286.410 3.231 20 30 CGEDMO C#CCCCCCC[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000877513714 635065456 /nfs/dbraw/zinc/06/54/56/635065456.db2.gz BIGDHPUOEYJUAX-UHFFFAOYSA-N 1 1 271.408 3.093 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840938289 635086126 /nfs/dbraw/zinc/08/61/26/635086126.db2.gz AUAZLXOVEYGPDE-SNVBAGLBSA-N 1 1 252.745 3.136 20 30 CGEDMO C#CCCCCCC[N@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000877552552 635086751 /nfs/dbraw/zinc/08/67/51/635086751.db2.gz DFENOFWYZNEMNW-KRWDZBQOSA-N 1 1 275.436 3.461 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000877658087 635134831 /nfs/dbraw/zinc/13/48/31/635134831.db2.gz NOQBDONPQKBGPQ-YOEHRIQHSA-N 1 1 299.418 3.352 20 30 CGEDMO Cc1cccc(C[N@@H+](C)CCc2cccc(C#N)c2)c1O ZINC000877704782 635157411 /nfs/dbraw/zinc/15/74/11/635157411.db2.gz VSEMGXODZBSXCE-UHFFFAOYSA-N 1 1 280.371 3.247 20 30 CGEDMO CC(NNc1[nH+]ncc2ccccc21)=C1CC1(F)F ZINC000841603170 635195064 /nfs/dbraw/zinc/19/50/64/635195064.db2.gz JVONXIOCKQOHEZ-NSHDSACASA-N 1 1 262.263 3.073 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@@]3(CCc4ccccc43)C2)n1 ZINC000877811313 635215309 /nfs/dbraw/zinc/21/53/09/635215309.db2.gz YXBGNYUWZHAGDB-IBGZPJMESA-N 1 1 289.382 3.043 20 30 CGEDMO C=CC[C@@H](C)[N@@H+](CCC)CC(=O)Nc1ccccc1OC ZINC000877906197 635262749 /nfs/dbraw/zinc/26/27/49/635262749.db2.gz ZXVVLYRMGLMYMO-CQSZACIVSA-N 1 1 290.407 3.310 20 30 CGEDMO C=CC[C@H](C)[N@@H+](CC)CC(=O)Nc1c(F)cccc1F ZINC000877931099 635276401 /nfs/dbraw/zinc/27/64/01/635276401.db2.gz GMXQOVGSPZEUJX-NSHDSACASA-N 1 1 282.334 3.190 20 30 CGEDMO C=C(Br)C[N@@H+](C)[C@@H](C)CCSCC ZINC000126813659 635292107 /nfs/dbraw/zinc/29/21/07/635292107.db2.gz MKRKCBWFNYWMCX-JTQLQIEISA-N 1 1 266.248 3.359 20 30 CGEDMO C=C(Br)C[N@H+](C)[C@@H](C)CCSCC ZINC000126813659 635292114 /nfs/dbraw/zinc/29/21/14/635292114.db2.gz MKRKCBWFNYWMCX-JTQLQIEISA-N 1 1 266.248 3.359 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](C)[C@H]1CCC[C@H]1C(C)(C)C ZINC000842167368 635303600 /nfs/dbraw/zinc/30/36/00/635303600.db2.gz PYQFPGMMOYZFAK-MCIONIFRSA-N 1 1 252.402 3.062 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCC[C@H]1C1CC1)c1ccccc1 ZINC000878050168 635338117 /nfs/dbraw/zinc/33/81/17/635338117.db2.gz RQFIMDVZHJAIQN-RBUKOAKNSA-N 1 1 296.414 3.301 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCCC1(C)C)c1ccccc1 ZINC000878049363 635338489 /nfs/dbraw/zinc/33/84/89/635338489.db2.gz WTQOQELUNHPJMX-GOSISDBHSA-N 1 1 284.403 3.301 20 30 CGEDMO CC[N@@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)CC1CC1 ZINC000878098020 635355938 /nfs/dbraw/zinc/35/59/38/635355938.db2.gz RJPKBHYGUWIBDD-SFHVURJKSA-N 1 1 284.403 3.159 20 30 CGEDMO CC[N@H+](CCC#N)C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000878159208 635386041 /nfs/dbraw/zinc/38/60/41/635386041.db2.gz GBSPFXUYBURWOV-HOTGVXAUSA-N 1 1 258.365 3.142 20 30 CGEDMO CC[N@@H+](CCC#N)C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000878159208 635386047 /nfs/dbraw/zinc/38/60/47/635386047.db2.gz GBSPFXUYBURWOV-HOTGVXAUSA-N 1 1 258.365 3.142 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1c(C)cccc1Cl ZINC000878383794 635483026 /nfs/dbraw/zinc/48/30/26/635483026.db2.gz VYFJAOWPWUABAY-LBPRGKRZSA-N 1 1 280.799 3.483 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1c(C)cccc1Cl ZINC000878383794 635483032 /nfs/dbraw/zinc/48/30/32/635483032.db2.gz VYFJAOWPWUABAY-LBPRGKRZSA-N 1 1 280.799 3.483 20 30 CGEDMO CC1(C)C[C@@H](C[N@H+]2CCC[C@@](C)(C#N)C2)C(C)(C)O1 ZINC000878406521 635491981 /nfs/dbraw/zinc/49/19/81/635491981.db2.gz XJYXLRQHHHJJKI-BBRMVZONSA-N 1 1 264.413 3.206 20 30 CGEDMO C=CC[C@H](C)[N@@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000878465883 635519396 /nfs/dbraw/zinc/51/93/96/635519396.db2.gz GYSBDNCHSKGHMX-NHYWBVRUSA-N 1 1 267.319 3.303 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000878465883 635519402 /nfs/dbraw/zinc/51/94/02/635519402.db2.gz GYSBDNCHSKGHMX-NHYWBVRUSA-N 1 1 267.319 3.303 20 30 CGEDMO C#CCCCCC[N@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000878605810 635566778 /nfs/dbraw/zinc/56/67/78/635566778.db2.gz DTGSHHHKBRLWKW-UHFFFAOYSA-N 1 1 297.402 3.405 20 30 CGEDMO C=C/C=C\CC[N@H+](CC(=C)C)Cc1ccc(CO)o1 ZINC000878607632 635567366 /nfs/dbraw/zinc/56/73/66/635567366.db2.gz YESQPMRLEMAWMY-WAYWQWQTSA-N 1 1 261.365 3.282 20 30 CGEDMO C[N@H+](C[C@H]1CC[C@H](c2ccccc2)O1)CC(C)(C)C#N ZINC000878650967 635590146 /nfs/dbraw/zinc/59/01/46/635590146.db2.gz RMZAZXUFTRLIMX-HZPDHXFCSA-N 1 1 272.392 3.388 20 30 CGEDMO C[N@@H+](C[C@H]1CC[C@H](c2ccccc2)O1)CC(C)(C)C#N ZINC000878650967 635590151 /nfs/dbraw/zinc/59/01/51/635590151.db2.gz RMZAZXUFTRLIMX-HZPDHXFCSA-N 1 1 272.392 3.388 20 30 CGEDMO C#CCCCCC[NH+]1CCC(NCc2ccccc2)CC1 ZINC000878668445 635598425 /nfs/dbraw/zinc/59/84/25/635598425.db2.gz WLGNCAIKNQBVTE-UHFFFAOYSA-N 1 1 284.447 3.434 20 30 CGEDMO C#CCCCCCN1CCC([NH2+]Cc2ccccc2)CC1 ZINC000878668445 635598427 /nfs/dbraw/zinc/59/84/27/635598427.db2.gz WLGNCAIKNQBVTE-UHFFFAOYSA-N 1 1 284.447 3.434 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000878886473 635650387 /nfs/dbraw/zinc/65/03/87/635650387.db2.gz KGRHFRUPVUDVRY-CHWSQXEVSA-N 1 1 256.340 3.438 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2nc3c(o2)CCCC3)C1 ZINC000878915180 635656714 /nfs/dbraw/zinc/65/67/14/635656714.db2.gz PZWSZTJEPCSFAC-ZDUSSCGKSA-N 1 1 260.381 3.342 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cc(C)c(O)c(C)c2)C1 ZINC000843422400 635666613 /nfs/dbraw/zinc/66/66/13/635666613.db2.gz FCALWNLGPQCTDD-HNNXBMFYSA-N 1 1 257.377 3.244 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000843422265 635666809 /nfs/dbraw/zinc/66/68/09/635666809.db2.gz DCEKCUSMZRCKDM-HNNXBMFYSA-N 1 1 297.377 3.247 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000843423553 635666982 /nfs/dbraw/zinc/66/69/82/635666982.db2.gz GCXKFNTWVSWMCL-LBPRGKRZSA-N 1 1 263.768 3.281 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2nccc3ccccc32)C1 ZINC000843423923 635667919 /nfs/dbraw/zinc/66/79/19/635667919.db2.gz LSIVRVTXYPGBIB-OAHLLOKOSA-N 1 1 264.372 3.470 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC000843424143 635668135 /nfs/dbraw/zinc/66/81/35/635668135.db2.gz PBXOOPBFVKVVHP-AWEZNQCLSA-N 1 1 252.361 3.403 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000843423949 635668459 /nfs/dbraw/zinc/66/84/59/635668459.db2.gz MMQTYLNPSPSUSJ-KRWDZBQOSA-N 1 1 295.430 3.272 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000843424695 635670019 /nfs/dbraw/zinc/67/00/19/635670019.db2.gz ZBUGODUZFLHVAR-CQSZACIVSA-N 1 1 285.416 3.169 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000843424715 635670089 /nfs/dbraw/zinc/67/00/89/635670089.db2.gz ZZGDJNDXANGMPE-CQSZACIVSA-N 1 1 297.377 3.451 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CCOC[C@H]2C2CCC2)cc1 ZINC000843428755 635673111 /nfs/dbraw/zinc/67/31/11/635673111.db2.gz MVUCEGZDGUDCEV-IBGZPJMESA-N 1 1 299.414 3.090 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H]2[C@@H](O)c2ccccc2)c1 ZINC000879240874 635731475 /nfs/dbraw/zinc/73/14/75/635731475.db2.gz PSZOHIFAVPPNJV-OALUTQOASA-N 1 1 292.382 3.256 20 30 CGEDMO C[N@H+](C[C@H](O)c1ccc(F)cc1Cl)[C@H]1CCC[C@H]1C#N ZINC000879309553 635752380 /nfs/dbraw/zinc/75/23/80/635752380.db2.gz HADDMPBBFMDXAS-LKTVYLICSA-N 1 1 296.773 3.137 20 30 CGEDMO C[N@@H+](C[C@H](O)c1ccc(F)cc1Cl)[C@H]1CCC[C@H]1C#N ZINC000879309553 635752383 /nfs/dbraw/zinc/75/23/83/635752383.db2.gz HADDMPBBFMDXAS-LKTVYLICSA-N 1 1 296.773 3.137 20 30 CGEDMO Cc1cc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)ccc1N(C)C ZINC000879309750 635752428 /nfs/dbraw/zinc/75/24/28/635752428.db2.gz PZERUIURTIWBQF-DOTOQJQBSA-N 1 1 271.408 3.185 20 30 CGEDMO CCN(C)c1ccc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000879309412 635752692 /nfs/dbraw/zinc/75/26/92/635752692.db2.gz NAMIUXVULQQKDO-NVXWUHKLSA-N 1 1 271.408 3.267 20 30 CGEDMO CO[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000879325111 635759227 /nfs/dbraw/zinc/75/92/27/635759227.db2.gz LOHCJFLAAAOERH-PBHICJAKSA-N 1 1 286.419 3.487 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879530523 635805691 /nfs/dbraw/zinc/80/56/91/635805691.db2.gz VDEGZWHTSKFWCV-CALCHBBNSA-N 1 1 252.361 3.265 20 30 CGEDMO C=CC[C@@H](C)[N@@H+]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC000879636118 635824249 /nfs/dbraw/zinc/82/42/49/635824249.db2.gz HHSWCPSIFIXOJR-CJNGLKHVSA-N 1 1 261.365 3.033 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CC[C@@H](c2ccccc2F)C1(C)C ZINC000879641467 635824741 /nfs/dbraw/zinc/82/47/41/635824741.db2.gz YIWALFOYGBFBKX-HIFRSBDPSA-N 1 1 290.382 3.322 20 30 CGEDMO C#CC[N@H+](Cc1cc(OC(C)C)ccn1)C1CCCC1 ZINC000844301979 635864092 /nfs/dbraw/zinc/86/40/92/635864092.db2.gz BTVPTXZSUDWOKR-UHFFFAOYSA-N 1 1 272.392 3.247 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000844364227 635881164 /nfs/dbraw/zinc/88/11/64/635881164.db2.gz QDYHVTQHNMCAOC-AWEZNQCLSA-N 1 1 296.370 3.233 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@H](c2cc(C(C)C)n[nH]2)C1 ZINC000879918921 635882550 /nfs/dbraw/zinc/88/25/50/635882550.db2.gz KHFVUNBXLBZGFO-GJZGRUSLSA-N 1 1 291.439 3.040 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000879918921 635882552 /nfs/dbraw/zinc/88/25/52/635882552.db2.gz KHFVUNBXLBZGFO-GJZGRUSLSA-N 1 1 291.439 3.040 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000879918921 635882557 /nfs/dbraw/zinc/88/25/57/635882557.db2.gz KHFVUNBXLBZGFO-GJZGRUSLSA-N 1 1 291.439 3.040 20 30 CGEDMO CC(C)(O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000879963779 635889933 /nfs/dbraw/zinc/88/99/33/635889933.db2.gz ORIPHOWIWJOYHA-AWEZNQCLSA-N 1 1 292.810 3.195 20 30 CGEDMO CC(C)(O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000879963779 635889934 /nfs/dbraw/zinc/88/99/34/635889934.db2.gz ORIPHOWIWJOYHA-AWEZNQCLSA-N 1 1 292.810 3.195 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](C)[C@H]1CCNC(=O)OC(C)(C)C ZINC000844399651 635890297 /nfs/dbraw/zinc/89/02/97/635890297.db2.gz FKFJIYLCTVWKPX-LSDHHAIUSA-N 1 1 294.439 3.025 20 30 CGEDMO N#Cc1cccc(OCC[N@@H+]2CCC[C@]3(CC3(F)F)C2)c1 ZINC000844436507 635900025 /nfs/dbraw/zinc/90/00/25/635900025.db2.gz IFCZCAWDRCIEJL-HNNXBMFYSA-N 1 1 292.329 3.058 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)cc1C#N ZINC000844438045 635900789 /nfs/dbraw/zinc/90/07/89/635900789.db2.gz BFARIXORCJUJQO-HNNXBMFYSA-N 1 1 292.329 3.188 20 30 CGEDMO Cc1nccnc1[C@H](C)[NH2+]CC#Cc1cccc(Cl)c1 ZINC000880107820 635914792 /nfs/dbraw/zinc/91/47/92/635914792.db2.gz FPXOOKRBDJCPNF-LBPRGKRZSA-N 1 1 285.778 3.141 20 30 CGEDMO COCC1([N@@H+](C)CCCCC(C)(C)C#N)CCC1 ZINC000880185193 635929791 /nfs/dbraw/zinc/92/97/91/635929791.db2.gz IRIHLHNRJXSHMX-UHFFFAOYSA-N 1 1 252.402 3.207 20 30 CGEDMO FC[C@@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000880294084 635967330 /nfs/dbraw/zinc/96/73/30/635967330.db2.gz RLWFEJNXQZRFMU-ZDUSSCGKSA-N 1 1 285.284 3.348 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H](CF)C1 ZINC000880298529 635968235 /nfs/dbraw/zinc/96/82/35/635968235.db2.gz DDXCKNBQDXYVKW-JTQLQIEISA-N 1 1 252.720 3.003 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](CF)C1 ZINC000880298529 635968240 /nfs/dbraw/zinc/96/82/40/635968240.db2.gz DDXCKNBQDXYVKW-JTQLQIEISA-N 1 1 252.720 3.003 20 30 CGEDMO C=CCCn1cc(C[N@H+]2CCC[C@]2(C)c2ccccc2)nn1 ZINC000880371135 635983844 /nfs/dbraw/zinc/98/38/44/635983844.db2.gz AXZNJNDHHCNXPB-GOSISDBHSA-N 1 1 296.418 3.365 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CCC[C@]2(C)c2ccccc2)nn1 ZINC000880371135 635983846 /nfs/dbraw/zinc/98/38/46/635983846.db2.gz AXZNJNDHHCNXPB-GOSISDBHSA-N 1 1 296.418 3.365 20 30 CGEDMO COc1ccc(CC[N@@H+](CCC#N)CC(C)C)cc1 ZINC000105931355 636042373 /nfs/dbraw/zinc/04/23/73/636042373.db2.gz PVBWBDIMYZQZPC-UHFFFAOYSA-N 1 1 260.381 3.109 20 30 CGEDMO C#CCCOc1ccc(C[N@H+](CC)[C@@H]2CCCOC2)cc1 ZINC000846053252 636139030 /nfs/dbraw/zinc/13/90/30/636139030.db2.gz TZJPKPIQHQOKIO-QGZVFWFLSA-N 1 1 287.403 3.090 20 30 CGEDMO CC[C@H](CC#N)[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000846980829 636300093 /nfs/dbraw/zinc/30/00/93/636300093.db2.gz JIISUAJGUBHCCQ-CHWSQXEVSA-N 1 1 286.297 3.021 20 30 CGEDMO CC[C@H](CC#N)[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000846991527 636302659 /nfs/dbraw/zinc/30/26/59/636302659.db2.gz IQCUORKNGPLTFT-OLZOCXBDSA-N 1 1 286.297 3.021 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000847023192 636314948 /nfs/dbraw/zinc/31/49/48/636314948.db2.gz ZMQSJBKNXIAQPO-CQSZACIVSA-N 1 1 257.764 3.037 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000847023037 636315269 /nfs/dbraw/zinc/31/52/69/636315269.db2.gz AKDSTHCNMXVBIK-AWEZNQCLSA-N 1 1 266.344 3.187 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc(C)cc3)n2)C1 ZINC000847032632 636318101 /nfs/dbraw/zinc/31/81/01/636318101.db2.gz YCDMYXJVNHCAQS-OAHLLOKOSA-N 1 1 280.371 3.495 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2coc(-c3ccc(C)cc3)n2)C1 ZINC000847032632 636318105 /nfs/dbraw/zinc/31/81/05/636318105.db2.gz YCDMYXJVNHCAQS-OAHLLOKOSA-N 1 1 280.371 3.495 20 30 CGEDMO C#CCOc1ccccc1C[NH2+]Cc1ccc(SC)o1 ZINC000883001890 636501311 /nfs/dbraw/zinc/50/13/11/636501311.db2.gz RBCWEQIGBKPZMX-UHFFFAOYSA-N 1 1 287.384 3.303 20 30 CGEDMO Cc1ccc[nH+]c1NCc1ccc(O[C@H](C)C#N)cc1 ZINC000130980635 636540026 /nfs/dbraw/zinc/54/00/26/636540026.db2.gz ADWRADILNFKWOE-CYBMUJFWSA-N 1 1 267.332 3.293 20 30 CGEDMO CC(C)(CCC#N)C[NH2+]Cc1cc(F)cc(F)c1O ZINC000883120192 636545531 /nfs/dbraw/zinc/54/55/31/636545531.db2.gz WBYMTZPQASUJEA-UHFFFAOYSA-N 1 1 268.307 3.090 20 30 CGEDMO COc1ccccc1CON=C1CCC[N@H+]2CCCC[C@H]12 ZINC000848409701 636569956 /nfs/dbraw/zinc/56/99/56/636569956.db2.gz BUFVMEHHMLOUQR-MRXNPFEDSA-N 1 1 288.391 3.216 20 30 CGEDMO N#Cc1sc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)nc1Cl ZINC000848785271 636657611 /nfs/dbraw/zinc/65/76/11/636657611.db2.gz KDCXTRFPYJAPJG-VHSXEESVSA-N 1 1 296.827 3.097 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000848923554 636694239 /nfs/dbraw/zinc/69/42/39/636694239.db2.gz GNAGPOGJQPBELA-CYBMUJFWSA-N 1 1 279.330 3.176 20 30 CGEDMO C#C[C@H]1CCC[N@H+](C/C=C\c2ccccc2OC)C1 ZINC000848924113 636695027 /nfs/dbraw/zinc/69/50/27/636695027.db2.gz NXJXGJVJVGGUPU-XMELGKRDSA-N 1 1 255.361 3.054 20 30 CGEDMO N#CCC1(COC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000849787248 636875165 /nfs/dbraw/zinc/87/51/65/636875165.db2.gz XCSVXZNKIJVKML-OAHLLOKOSA-N 1 1 290.407 3.021 20 30 CGEDMO CCON=C1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000884410271 637022160 /nfs/dbraw/zinc/02/21/60/637022160.db2.gz FKBWPXJNEBSNBB-HOCLYGCPSA-N 1 1 258.365 3.063 20 30 CGEDMO C[C@H]1C[C@H](C)[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000134970912 637058892 /nfs/dbraw/zinc/05/88/92/637058892.db2.gz BSESSDXEVNDRRY-KBPBESRZSA-N 1 1 258.365 3.057 20 30 CGEDMO CC(C)(C)[N@H+]1CC[C@H]1COC(=O)CC1(C#N)CCCCC1 ZINC000851104409 637258345 /nfs/dbraw/zinc/25/83/45/637258345.db2.gz KKDAGVUQAVDYID-AWEZNQCLSA-N 1 1 292.423 3.267 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)C[C@@H](O)c1cccc(F)c1 ZINC000109813448 637293887 /nfs/dbraw/zinc/29/38/87/637293887.db2.gz QIAHHXAOZQXYHE-OAHLLOKOSA-N 1 1 278.371 3.121 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@@H](O)c1cccc(F)c1 ZINC000109813448 637293897 /nfs/dbraw/zinc/29/38/97/637293897.db2.gz QIAHHXAOZQXYHE-OAHLLOKOSA-N 1 1 278.371 3.121 20 30 CGEDMO CC(C)[N@@H+](C[C@@H](O)CC1(C#N)CCC1)C1CCCCC1 ZINC000886059979 637394175 /nfs/dbraw/zinc/39/41/75/637394175.db2.gz QOTCTMMIZXWDNQ-INIZCTEOSA-N 1 1 278.440 3.474 20 30 CGEDMO N#Cc1cccc([C@H]2C[N@H+](CC[C@@H]3C[C@H]3C3CC3)CCO2)c1 ZINC000886098647 637407685 /nfs/dbraw/zinc/40/76/85/637407685.db2.gz OXGLZGUMXKFOHL-NZSAHSFTSA-N 1 1 296.414 3.368 20 30 CGEDMO N#Cc1cccc([C@H]2C[N@@H+](CC[C@@H]3C[C@H]3C3CC3)CCO2)c1 ZINC000886098647 637407691 /nfs/dbraw/zinc/40/76/91/637407691.db2.gz OXGLZGUMXKFOHL-NZSAHSFTSA-N 1 1 296.414 3.368 20 30 CGEDMO CC[N@@H+](C[C@H](O)c1ccccn1)[C@H](C)c1ccc(C#N)cc1 ZINC000851735852 637483778 /nfs/dbraw/zinc/48/37/78/637483778.db2.gz JDFSFYAXMUHNSN-KDOFPFPSSA-N 1 1 295.386 3.070 20 30 CGEDMO CC[N@@H+](C[C@H](O)c1ccccn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000851735853 637484121 /nfs/dbraw/zinc/48/41/21/637484121.db2.gz JDFSFYAXMUHNSN-KSSFIOAISA-N 1 1 295.386 3.070 20 30 CGEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CC[C@@H](OC)C1 ZINC000851738880 637485615 /nfs/dbraw/zinc/48/56/15/637485615.db2.gz WAFDIDMJRHKTMF-GOEBONIOSA-N 1 1 290.363 3.150 20 30 CGEDMO CCC1(CC)CCC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886315656 637496633 /nfs/dbraw/zinc/49/66/33/637496633.db2.gz WIFUTNMLSAMTBP-AWEZNQCLSA-N 1 1 264.413 3.086 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000886356059 637510748 /nfs/dbraw/zinc/51/07/48/637510748.db2.gz SNPKELSXLFZDRG-LBPRGKRZSA-N 1 1 256.374 3.142 20 30 CGEDMO C#CC[C@H]1CC[N@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000886355457 637511231 /nfs/dbraw/zinc/51/12/31/637511231.db2.gz IXODVNHGXBNEGP-WFASDCNBSA-N 1 1 297.320 3.084 20 30 CGEDMO C#CC[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000886361691 637513233 /nfs/dbraw/zinc/51/32/33/637513233.db2.gz RPBKZRBASDYBRY-ZDUSSCGKSA-N 1 1 290.794 3.014 20 30 CGEDMO C#CC[C@@H]1CC[N@H+]([C@H](C)c2nc3ccccc3o2)C1 ZINC000886363764 637514382 /nfs/dbraw/zinc/51/43/82/637514382.db2.gz CGYCUUQARBUROF-CHWSQXEVSA-N 1 1 254.333 3.234 20 30 CGEDMO C=CCSCC[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886545064 637572709 /nfs/dbraw/zinc/57/27/09/637572709.db2.gz GOONEGPJNIEQMQ-JTQLQIEISA-N 1 1 255.358 3.101 20 30 CGEDMO C=C(C)C[N@H+](CCOC(F)F)Cc1cnn(C(C)C)c1 ZINC000852039268 637577298 /nfs/dbraw/zinc/57/72/98/637577298.db2.gz DHPFRRUBSUIEHT-UHFFFAOYSA-N 1 1 287.354 3.081 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cccc(F)n1 ZINC000852191248 637612589 /nfs/dbraw/zinc/61/25/89/637612589.db2.gz FCIOACUJNNKRAG-GFCCVEGCSA-N 1 1 269.323 3.285 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cccc(F)n1 ZINC000852191248 637612592 /nfs/dbraw/zinc/61/25/92/637612592.db2.gz FCIOACUJNNKRAG-GFCCVEGCSA-N 1 1 269.323 3.285 20 30 CGEDMO C[C@@H](CCC#N)[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000886646213 637627022 /nfs/dbraw/zinc/62/70/22/637627022.db2.gz CCIUJJFZDHKOLR-YTQUADARSA-N 1 1 297.446 3.133 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000886646213 637627030 /nfs/dbraw/zinc/62/70/30/637627030.db2.gz CCIUJJFZDHKOLR-YTQUADARSA-N 1 1 297.446 3.133 20 30 CGEDMO C=CC[N@H+](CC[C@@H]1CC1(Cl)Cl)[C@@H](C)COC ZINC000852357251 637641345 /nfs/dbraw/zinc/64/13/45/637641345.db2.gz YWNSIAWSKPHZOO-WDEREUQCSA-N 1 1 266.212 3.093 20 30 CGEDMO C=CC[N@H+](CC[C@H]1CC1(Cl)Cl)[C@@H](C)COC ZINC000852357250 637642403 /nfs/dbraw/zinc/64/24/03/637642403.db2.gz YWNSIAWSKPHZOO-QWRGUYRKSA-N 1 1 266.212 3.093 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886681070 637648281 /nfs/dbraw/zinc/64/82/81/637648281.db2.gz RKDKTPNJZOEPCQ-YOEHRIQHSA-N 1 1 292.386 3.289 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](C[C@H](O)c2cccc(F)c2)C1 ZINC000852412232 637648953 /nfs/dbraw/zinc/64/89/53/637648953.db2.gz ZUMOGGSSHMUXMU-CJNGLKHVSA-N 1 1 263.356 3.147 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000852410441 637649327 /nfs/dbraw/zinc/64/93/27/637649327.db2.gz MDEBFVNXOVXWER-CYBMUJFWSA-N 1 1 255.365 3.351 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000852497616 637663419 /nfs/dbraw/zinc/66/34/19/637663419.db2.gz VYUKAAMZUAUJNH-HOTGVXAUSA-N 1 1 280.456 3.338 20 30 CGEDMO C=CC[N@@H+](C[C@@H](O)c1ccccc1F)C(C)(C)C ZINC000852552953 637677097 /nfs/dbraw/zinc/67/70/97/637677097.db2.gz IVMMSQPXROZTPC-CQSZACIVSA-N 1 1 251.345 3.146 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)NC(=O)OC(C)(C)C ZINC000852686920 637696562 /nfs/dbraw/zinc/69/65/62/637696562.db2.gz BZKKINRAWFQVQA-MELADBBJSA-N 1 1 280.412 3.083 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1(Br)CC1 ZINC000852686898 637696691 /nfs/dbraw/zinc/69/66/91/637696691.db2.gz BLRMQZQQRCUHKJ-PHIMTYICSA-N 1 1 256.187 3.097 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cn2ccc(-c3ccccc3)n2)C1 ZINC000853525219 637861416 /nfs/dbraw/zinc/86/14/16/637861416.db2.gz UGLGSBSWYNILHI-OAHLLOKOSA-N 1 1 280.375 3.133 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cn2ccc(-c3ccccc3)n2)C1 ZINC000853525219 637861419 /nfs/dbraw/zinc/86/14/19/637861419.db2.gz UGLGSBSWYNILHI-OAHLLOKOSA-N 1 1 280.375 3.133 20 30 CGEDMO C#CC1CCN(c2cc(C(F)(F)F)cc(C)[nH+]2)CC1 ZINC000853709847 637897799 /nfs/dbraw/zinc/89/77/99/637897799.db2.gz UDNAYTZHSRPVIK-UHFFFAOYSA-N 1 1 268.282 3.258 20 30 CGEDMO C#C[C@H]1CCCN(c2cc(C(F)(F)F)cc(C)[nH+]2)C1 ZINC000853716526 637900256 /nfs/dbraw/zinc/90/02/56/637900256.db2.gz VMJGSDMPNUWWKI-NSHDSACASA-N 1 1 268.282 3.258 20 30 CGEDMO C=CCCC(C)(C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000856372621 638353669 /nfs/dbraw/zinc/35/36/69/638353669.db2.gz OGVVVKGTGXSEGH-MRXNPFEDSA-N 1 1 284.419 3.060 20 30 CGEDMO C=C(CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)c1ccccc1 ZINC000925637170 638553107 /nfs/dbraw/zinc/55/31/07/638553107.db2.gz YHLDGOROMOODHK-IKGGRYGDSA-N 1 1 270.420 3.066 20 30 CGEDMO C=CCOc1ccccc1C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857853276 638577729 /nfs/dbraw/zinc/57/77/29/638577729.db2.gz AKOJHWIUXLCHHF-OAHLLOKOSA-N 1 1 283.375 3.142 20 30 CGEDMO C=CCOc1ccccc1C[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000857853276 638577731 /nfs/dbraw/zinc/57/77/31/638577731.db2.gz AKOJHWIUXLCHHF-OAHLLOKOSA-N 1 1 283.375 3.142 20 30 CGEDMO C=CCC[C@@H](C1CC1)[N@H+]1CCOc2ccc(N)cc2C1 ZINC000925753304 638596306 /nfs/dbraw/zinc/59/63/06/638596306.db2.gz ONJDFHIVTHPHOT-INIZCTEOSA-N 1 1 272.392 3.208 20 30 CGEDMO N#Cc1ccc(F)c(CN[C@H](CCC[NH3+])c2ccccc2)c1 ZINC000925815042 638621564 /nfs/dbraw/zinc/62/15/64/638621564.db2.gz SOBGYIXKQQFBEB-GOSISDBHSA-N 1 1 297.377 3.267 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CCCC1)c1cccc2c1OCO2 ZINC000926874323 638819975 /nfs/dbraw/zinc/81/99/75/638819975.db2.gz OUJFPPTXPWQLDD-LBPRGKRZSA-N 1 1 272.348 3.150 20 30 CGEDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1cncc(C#N)c1 ZINC000929097393 638898063 /nfs/dbraw/zinc/89/80/63/638898063.db2.gz QWIHSTVALXWGEE-GFCCVEGCSA-N 1 1 269.323 3.285 20 30 CGEDMO CCOC(=O)[C@H]1CCCC[N@@H+]1CCCCC1(C#N)CCC1 ZINC000929237668 638911234 /nfs/dbraw/zinc/91/12/34/638911234.db2.gz LOWAIWZRSHIKGH-OAHLLOKOSA-N 1 1 292.423 3.268 20 30 CGEDMO CCOC(=O)[C@H]1CCCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000929237668 638911237 /nfs/dbraw/zinc/91/12/37/638911237.db2.gz LOWAIWZRSHIKGH-OAHLLOKOSA-N 1 1 292.423 3.268 20 30 CGEDMO N#CC1(CCCC[N@@H+]2CC[C@H](N3CCCC3)C2)CCC1 ZINC000929486950 638927815 /nfs/dbraw/zinc/92/78/15/638927815.db2.gz ZLSRGOMPQVHFKJ-INIZCTEOSA-N 1 1 275.440 3.021 20 30 CGEDMO N#CC1(CCCC[N@H+]2CC[C@H](N3CCCC3)C2)CCC1 ZINC000929486950 638927818 /nfs/dbraw/zinc/92/78/18/638927818.db2.gz ZLSRGOMPQVHFKJ-INIZCTEOSA-N 1 1 275.440 3.021 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCS[C@H](C)C1 ZINC000929518572 638929914 /nfs/dbraw/zinc/92/99/14/638929914.db2.gz PKKMQMVUHUKOOI-CYBMUJFWSA-N 1 1 260.406 3.112 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)CCS1 ZINC000929518404 638930155 /nfs/dbraw/zinc/93/01/55/638930155.db2.gz NWTKLRWWKNGEIW-CYBMUJFWSA-N 1 1 252.427 3.288 20 30 CGEDMO CCC[N@@H+](CCCCC1(C#N)CCC1)CC(C)(C)O ZINC000929525707 638930425 /nfs/dbraw/zinc/93/04/25/638930425.db2.gz KEHSXQJJLGDEGQ-UHFFFAOYSA-N 1 1 266.429 3.333 20 30 CGEDMO C[C@H](O)[C@@H]1CCCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000929596184 638933045 /nfs/dbraw/zinc/93/30/45/638933045.db2.gz XUCUHKAKBOCABC-GJZGRUSLSA-N 1 1 264.413 3.086 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](C)C[C@H]1CCCOC1 ZINC000929606145 638934214 /nfs/dbraw/zinc/93/42/14/638934214.db2.gz KWAWDTJSWYCLHC-OAHLLOKOSA-N 1 1 272.392 3.034 20 30 CGEDMO N#CCC[N@H+](CC1CC1)C[C@H]1CCCC2(CCC2)O1 ZINC000929774933 638949360 /nfs/dbraw/zinc/94/93/60/638949360.db2.gz GLHMDLOIUNOXHV-OAHLLOKOSA-N 1 1 262.397 3.104 20 30 CGEDMO N#CCC[N@@H+](CC1CC1)C[C@H]1CCCC2(CCC2)O1 ZINC000929774933 638949361 /nfs/dbraw/zinc/94/93/61/638949361.db2.gz GLHMDLOIUNOXHV-OAHLLOKOSA-N 1 1 262.397 3.104 20 30 CGEDMO C[C@H]1C[C@H](N(C)Cc2cc(Cl)cc(C#N)c2)CC[N@H+]1C ZINC000929783696 638950943 /nfs/dbraw/zinc/95/09/43/638950943.db2.gz YPSQOIYJVDUMSL-BLLLJJGKSA-N 1 1 291.826 3.126 20 30 CGEDMO C[C@H]1C[C@H]([N@H+](C)Cc2cc(Cl)cc(C#N)c2)CCN1C ZINC000929783696 638950944 /nfs/dbraw/zinc/95/09/44/638950944.db2.gz YPSQOIYJVDUMSL-BLLLJJGKSA-N 1 1 291.826 3.126 20 30 CGEDMO C[C@H]1C[C@H]([N@@H+](C)Cc2cc(Cl)cc(C#N)c2)CCN1C ZINC000929783696 638950945 /nfs/dbraw/zinc/95/09/45/638950945.db2.gz YPSQOIYJVDUMSL-BLLLJJGKSA-N 1 1 291.826 3.126 20 30 CGEDMO COc1ccc(C[N@@H+](C)CC2CCC(C#N)CC2)cc1O ZINC000929822065 638954699 /nfs/dbraw/zinc/95/46/99/638954699.db2.gz SVVHJIXNYFKTDT-UHFFFAOYSA-N 1 1 288.391 3.163 20 30 CGEDMO CC[C@H](c1ccccc1)[N@@H+](CC(C)C)C[C@H](O)CC#N ZINC000929977715 638965632 /nfs/dbraw/zinc/96/56/32/638965632.db2.gz ISDCLDNRWXMYHH-IAGOWNOFSA-N 1 1 274.408 3.370 20 30 CGEDMO N#CC[C@@H](O)C[N@H+]1CCCC[C@H]1CCCc1ccccc1 ZINC000930076416 638972722 /nfs/dbraw/zinc/97/27/22/638972722.db2.gz CUEPPYWLZHCOQH-ZWKOTPCHSA-N 1 1 286.419 3.138 20 30 CGEDMO CCc1onc(C)c1C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000930219586 638983744 /nfs/dbraw/zinc/98/37/44/638983744.db2.gz OIMOAQQUTUIIOM-UHFFFAOYSA-N 1 1 281.359 3.196 20 30 CGEDMO C[C@H](O)C[C@H]1CCCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000930267091 638986833 /nfs/dbraw/zinc/98/68/33/638986833.db2.gz GAMNTZJKOBRXPF-JKSUJKDBSA-N 1 1 278.440 3.476 20 30 CGEDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1CC1CCC(C#N)CC1 ZINC000930456001 639001159 /nfs/dbraw/zinc/00/11/59/639001159.db2.gz SFXHXPPICHNTPA-RDHHWEPZSA-N 1 1 278.440 3.332 20 30 CGEDMO CCC[C@]1(CO)CC[N@@H+](Cc2c(C)cc(C#N)cc2C)C1 ZINC000930504933 639013667 /nfs/dbraw/zinc/01/36/67/639013667.db2.gz NAEZYNPNLRISJX-SFHVURJKSA-N 1 1 286.419 3.160 20 30 CGEDMO C[C@@H]1CN(C2CC2)CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000930587224 639031840 /nfs/dbraw/zinc/03/18/40/639031840.db2.gz IMIWEYRIPUGSKU-INIZCTEOSA-N 1 1 289.467 3.267 20 30 CGEDMO C[C@H]1CN(CCCCC2(C#N)CCC2)CC[N@@H+](C2CC2)C1 ZINC000930587224 639031845 /nfs/dbraw/zinc/03/18/45/639031845.db2.gz IMIWEYRIPUGSKU-INIZCTEOSA-N 1 1 289.467 3.267 20 30 CGEDMO C[C@H]1CN(CCCCC2(C#N)CCC2)CC[N@H+](C2CC2)C1 ZINC000930587224 639031851 /nfs/dbraw/zinc/03/18/51/639031851.db2.gz IMIWEYRIPUGSKU-INIZCTEOSA-N 1 1 289.467 3.267 20 30 CGEDMO N#CC1CCC(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)CC1 ZINC000930612951 639038334 /nfs/dbraw/zinc/03/83/34/639038334.db2.gz YVNGOKREQOFADT-YOHUBWIESA-N 1 1 290.451 3.332 20 30 CGEDMO CC(=O)C1CC[NH+](Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000930625176 639040539 /nfs/dbraw/zinc/04/05/39/639040539.db2.gz FPDCYUAHCONMFR-UHFFFAOYSA-N 1 1 276.767 3.013 20 30 CGEDMO CC(C)(CN1CCCC1)[NH2+]Cc1cc(Cl)cc(C#N)c1 ZINC000930675778 639051510 /nfs/dbraw/zinc/05/15/10/639051510.db2.gz JZAOMBUSQUXZNC-UHFFFAOYSA-N 1 1 291.826 3.176 20 30 CGEDMO COC(=O)[C@]1(C)CCC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000930738895 639061377 /nfs/dbraw/zinc/06/13/77/639061377.db2.gz RFYGEBCMCYCNDX-MRXNPFEDSA-N 1 1 292.423 3.126 20 30 CGEDMO Cc1nc(C)c(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)[nH]1 ZINC000930764363 639065518 /nfs/dbraw/zinc/06/55/18/639065518.db2.gz LODAZACZJANFDB-GFCCVEGCSA-N 1 1 268.364 3.091 20 30 CGEDMO Cc1nc(C)c(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)[nH]1 ZINC000930764363 639065521 /nfs/dbraw/zinc/06/55/21/639065521.db2.gz LODAZACZJANFDB-GFCCVEGCSA-N 1 1 268.364 3.091 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000930815207 639071487 /nfs/dbraw/zinc/07/14/87/639071487.db2.gz BNKVCXYFJNOTIM-FQUUOJAGSA-N 1 1 253.336 3.013 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](C2CC(OCc3ccccc3)C2)C1 ZINC000930924843 639087171 /nfs/dbraw/zinc/08/71/71/639087171.db2.gz WVSKCJFXZUFGSD-ZLPCBKJTSA-N 1 1 284.403 3.360 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O ZINC000931380695 639144282 /nfs/dbraw/zinc/14/42/82/639144282.db2.gz VZOLGSPONHWYLP-JQHSSLGASA-N 1 1 298.430 3.156 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](CF)C2)c1 ZINC000931685406 639189428 /nfs/dbraw/zinc/18/94/28/639189428.db2.gz DADFVRZCXCLKCD-JTQLQIEISA-N 1 1 252.720 3.003 20 30 CGEDMO CC(C)(C)OC[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000932162695 639281606 /nfs/dbraw/zinc/28/16/06/639281606.db2.gz JLGZMQXRDVDNHK-OAHLLOKOSA-N 1 1 290.382 3.477 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000932205299 639297324 /nfs/dbraw/zinc/29/73/24/639297324.db2.gz WCTRXUTZQQHCJE-CHWSQXEVSA-N 1 1 263.410 3.090 20 30 CGEDMO C[C@]1(Cc2ccc(Cl)s2)CCC[N@H+]1C[C@H](O)CC#N ZINC000932921848 639399864 /nfs/dbraw/zinc/39/98/64/639399864.db2.gz YPKWQQKEBJFBKN-BXUZGUMPSA-N 1 1 298.839 3.073 20 30 CGEDMO CC(C)C[C@@H](C)[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933629226 639471568 /nfs/dbraw/zinc/47/15/68/639471568.db2.gz NYWMOENIDHHVLA-PBHICJAKSA-N 1 1 272.392 3.366 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1ccc(C(F)(F)F)cn1 ZINC000934465328 639613349 /nfs/dbraw/zinc/61/33/49/639613349.db2.gz SXBHWVXXWRFDPQ-GFCCVEGCSA-N 1 1 256.271 3.251 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1ccc(C(F)(F)F)cn1 ZINC000934465329 639613809 /nfs/dbraw/zinc/61/38/09/639613809.db2.gz SXBHWVXXWRFDPQ-LBPRGKRZSA-N 1 1 256.271 3.251 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000934839609 639687668 /nfs/dbraw/zinc/68/76/68/639687668.db2.gz WTKQTZLISMDUBI-CVEARBPZSA-N 1 1 278.440 3.455 20 30 CGEDMO C=C[C@H](CC)CC(=O)Nc1c[nH+]ccc1-n1cc(C)cn1 ZINC000935056153 639740432 /nfs/dbraw/zinc/74/04/32/639740432.db2.gz MYXDUSLNIZSWMG-CYBMUJFWSA-N 1 1 284.363 3.117 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000935116722 639752820 /nfs/dbraw/zinc/75/28/20/639752820.db2.gz AOBIJAQEMBEUOQ-HFTRVMKXSA-N 1 1 286.419 3.150 20 30 CGEDMO CCCCCCCC[N@@H+](CCC)[C@H]1CCS(=O)(=O)C1 ZINC000157563224 639992289 /nfs/dbraw/zinc/99/22/89/639992289.db2.gz DFDKFNMDDCQWRP-HNNXBMFYSA-N 1 1 289.485 3.246 20 30 CGEDMO N#Cc1ccc(CO[NH+]=C(N)C2CCCCC2)c(F)c1 ZINC000194344628 640527824 /nfs/dbraw/zinc/52/78/24/640527824.db2.gz VNKMGYYGCKYSTE-UHFFFAOYSA-N 1 1 275.327 3.066 20 30 CGEDMO CCCCCCC[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000247296800 640715488 /nfs/dbraw/zinc/71/54/88/640715488.db2.gz ULHWDVADEHLEDA-KGLIPLIRSA-N 1 1 257.443 3.163 20 30 CGEDMO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccc(OC)c(O)c1 ZINC000092541580 640739393 /nfs/dbraw/zinc/73/93/93/640739393.db2.gz HFXCJCODMJRNPD-UHFFFAOYSA-N 1 1 299.345 3.175 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(OC)c(O)c1 ZINC000092541580 640739397 /nfs/dbraw/zinc/73/93/97/640739397.db2.gz HFXCJCODMJRNPD-UHFFFAOYSA-N 1 1 299.345 3.175 20 30 CGEDMO CC(C)C[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000305086398 640880545 /nfs/dbraw/zinc/88/05/45/640880545.db2.gz ULMOHFHFZHVZQB-DLBZAZTESA-N 1 1 272.392 3.102 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C2CCCC2)C1 ZINC001007511607 640942664 /nfs/dbraw/zinc/94/26/64/640942664.db2.gz DKKRWEICPIANKO-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)C2(C3CCC3)CCC2)C1 ZINC001008084557 640946806 /nfs/dbraw/zinc/94/68/06/640946806.db2.gz UIZBUFNPIATNHQ-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CCC[N@H+](CC=C(C)C)C2)CC1 ZINC001008421253 640950609 /nfs/dbraw/zinc/95/06/09/640950609.db2.gz XVJWAZJAWJFCSC-KRWDZBQOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](NC(=O)c2cccc(C3CCC3)c2)C1 ZINC001009205094 640956558 /nfs/dbraw/zinc/95/65/58/640956558.db2.gz YHHJQHRDPIDYLO-SFHVURJKSA-N 1 1 298.430 3.334 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)ccc2C2CC2)C1 ZINC001015376939 640979559 /nfs/dbraw/zinc/97/95/59/640979559.db2.gz NMAFYYQZFWGSEO-INIZCTEOSA-N 1 1 298.430 3.253 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)CC2CCCCCC2)C1 ZINC001015760645 640985280 /nfs/dbraw/zinc/98/52/80/640985280.db2.gz VWKCFILQEJPYOI-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001015830422 640986906 /nfs/dbraw/zinc/98/69/06/640986906.db2.gz UMZGTEGACQWVDN-SFHVURJKSA-N 1 1 296.414 3.026 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C3CC3)s2)C1 ZINC001015990124 640988200 /nfs/dbraw/zinc/98/82/00/640988200.db2.gz GXPPDJBUWXKLQJ-CYBMUJFWSA-N 1 1 290.432 3.006 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2sccc2C2CC2)C1 ZINC001016179771 640993791 /nfs/dbraw/zinc/99/37/91/640993791.db2.gz DPLYVXYAZGRHJB-ZDUSSCGKSA-N 1 1 290.432 3.006 20 30 CGEDMO C#CCNc1[nH+]cnc2c1c(C)c(C)n2Cc1ccccc1 ZINC001155654376 805600405 /nfs/dbraw/zinc/60/04/05/805600405.db2.gz QZHXWSXBJRYYGD-UHFFFAOYSA-N 1 1 290.370 3.142 20 30 CGEDMO N#Cc1c[nH]c2cc[nH+]c(NCCOc3ccccc3F)c12 ZINC001156023138 805642301 /nfs/dbraw/zinc/64/23/01/805642301.db2.gz CNHJXMZKCHFUHQ-UHFFFAOYSA-N 1 1 296.305 3.065 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(C)cc1C ZINC001156733722 805729094 /nfs/dbraw/zinc/72/90/94/805729094.db2.gz HLEPFXIFYPXCFV-MRXNPFEDSA-N 1 1 288.435 3.320 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)CCc1cccs1 ZINC001156813889 805737667 /nfs/dbraw/zinc/73/76/67/805737667.db2.gz DRFRNOWJQCDLBR-CQSZACIVSA-N 1 1 294.464 3.083 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)C1(CC)CCCCC1 ZINC001157058419 805771675 /nfs/dbraw/zinc/77/16/75/805771675.db2.gz WMKWOGYGBCTWDI-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCCC1(C)C ZINC001157190575 805787737 /nfs/dbraw/zinc/78/77/37/805787737.db2.gz QMBBFXUEVPSWPZ-CVEARBPZSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCCC1(C)C ZINC001157190367 805788480 /nfs/dbraw/zinc/78/84/80/805788480.db2.gz MNESTMJLUBXBHI-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1coc2ccccc21 ZINC001157281136 805793954 /nfs/dbraw/zinc/79/39/54/805793954.db2.gz WYZACMUAIMYCCK-CYBMUJFWSA-N 1 1 286.375 3.059 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)SC ZINC001157578451 805837046 /nfs/dbraw/zinc/83/70/46/805837046.db2.gz RMJWPWXNQHZUNR-HUUCEWRRSA-N 1 1 298.496 3.017 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)/C=C(/C)C1CC1 ZINC001157614624 805842855 /nfs/dbraw/zinc/84/28/55/805842855.db2.gz PMULZSVNJMOYRC-JBXOJTMHSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)/C(C)=C\CC ZINC001157630234 805844000 /nfs/dbraw/zinc/84/40/00/805844000.db2.gz JWLZVDWAQOKPEZ-DDITZMBXSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)CCC ZINC001157717819 805857064 /nfs/dbraw/zinc/85/70/64/805857064.db2.gz HAXGSTRGNCHERW-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCN(c1cc(N(C)C)nc(C)[nH+]1)C1CCCCC1 ZINC001157848227 805887504 /nfs/dbraw/zinc/88/75/04/805887504.db2.gz RGCQDQJAYIVQOQ-UHFFFAOYSA-N 1 1 274.412 3.176 20 30 CGEDMO C#CCCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)CC(C)C ZINC001157856777 805889451 /nfs/dbraw/zinc/88/94/51/805889451.db2.gz MSVMXKJAWVPBPK-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CC1 ZINC001157999991 805912392 /nfs/dbraw/zinc/91/23/92/805912392.db2.gz WDEIEQBAWVBIFF-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO CCCCCCCC[C@H](O)CNc1[nH+]cccc1CCO ZINC001252125481 806012624 /nfs/dbraw/zinc/01/26/24/806012624.db2.gz YYVTVZQZZZRWTJ-INIZCTEOSA-N 1 1 294.439 3.140 20 30 CGEDMO CS[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc(OCC#N)cc2)C1 ZINC001252280438 806035002 /nfs/dbraw/zinc/03/50/02/806035002.db2.gz QIEHDCHAZNKEMO-ZBFHGGJFSA-N 1 1 290.432 3.305 20 30 CGEDMO CCCCCCC[N@@H+](C)C[C@H](O)COCc1ccccc1 ZINC001252281893 806036233 /nfs/dbraw/zinc/03/62/33/806036233.db2.gz MTZCBYYVTHWJFR-SFHVURJKSA-N 1 1 293.451 3.466 20 30 CGEDMO CC(C)(O)C[N@@H+](CCC#N)C1CCCCCCC1 ZINC001252354244 806040841 /nfs/dbraw/zinc/04/08/41/806040841.db2.gz DKJJACUJRKLFRS-UHFFFAOYSA-N 1 1 252.402 3.086 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC001252557104 806063483 /nfs/dbraw/zinc/06/34/83/806063483.db2.gz HEONFMAMYHYKIW-RDJZCZTQSA-N 1 1 277.383 3.017 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CC=CCC2)CC1 ZINC001159233182 806063661 /nfs/dbraw/zinc/06/36/61/806063661.db2.gz WDBAUROMDSKFSE-KRWDZBQOSA-N 1 1 288.435 3.057 20 30 CGEDMO C=C[C@](C)(O)C[N@@H+]1CCCC[C@@H]1c1cccc(OC)c1 ZINC001252555639 806063963 /nfs/dbraw/zinc/06/39/63/806063963.db2.gz ZGEOTGWSNINIQK-SJORKVTESA-N 1 1 275.392 3.159 20 30 CGEDMO C=C[C@@](C)(O)C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC001252559708 806065914 /nfs/dbraw/zinc/06/59/14/806065914.db2.gz BFDOCHGYDBDSQC-CYBMUJFWSA-N 1 1 274.191 3.362 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001252561371 806067081 /nfs/dbraw/zinc/06/70/81/806067081.db2.gz ZVRMZJFWNSEPDW-UKRRQHHQSA-N 1 1 265.784 3.066 20 30 CGEDMO COc1ccc2cc[nH+]c(NCC(C)(C)S)c2c1 ZINC001159268189 806070756 /nfs/dbraw/zinc/07/07/56/806070756.db2.gz ODWJJQZHQVBPIB-UHFFFAOYSA-N 1 1 262.378 3.364 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](CC)Cc1cccc(F)c1F ZINC001252602591 806080247 /nfs/dbraw/zinc/08/02/47/806080247.db2.gz VFCBRYOFCOKAKX-CYBMUJFWSA-N 1 1 269.335 3.114 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](C)Cc1csc(C(C)C)n1 ZINC001252602474 806081428 /nfs/dbraw/zinc/08/14/28/806081428.db2.gz BFLZKGRPECSMDH-CYBMUJFWSA-N 1 1 268.426 3.025 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)Cc1csc(C(C)C)n1 ZINC001252602474 806081438 /nfs/dbraw/zinc/08/14/38/806081438.db2.gz BFLZKGRPECSMDH-CYBMUJFWSA-N 1 1 268.426 3.025 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)/C(C)=C\CC)CC1 ZINC001159458111 806105509 /nfs/dbraw/zinc/10/55/09/806105509.db2.gz NHKUWLZYGUTOFJ-CHHVJCJISA-N 1 1 276.424 3.057 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)/C(C)=C\CC)CC1 ZINC001159458441 806106246 /nfs/dbraw/zinc/10/62/46/806106246.db2.gz SDYOIKDOQXSJQY-UUASQNMZSA-N 1 1 276.424 3.057 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H](C)C2CC2)CC1 ZINC001159725993 806162490 /nfs/dbraw/zinc/16/24/90/806162490.db2.gz QODNFFFVQGCRRT-OAHLLOKOSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+](CC)CCN1CCCC1 ZINC001253238299 806189886 /nfs/dbraw/zinc/18/98/86/806189886.db2.gz CILJHRHUXXBMCD-SFHVURJKSA-N 1 1 296.499 3.292 20 30 CGEDMO C=CCCCCCC[C@H](O)CN(CC)CC[NH+]1CCCC1 ZINC001253238299 806189891 /nfs/dbraw/zinc/18/98/91/806189891.db2.gz CILJHRHUXXBMCD-SFHVURJKSA-N 1 1 296.499 3.292 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1CCn2cccc2C1 ZINC001253239872 806190455 /nfs/dbraw/zinc/19/04/55/806190455.db2.gz UUNLWASYKNXNRK-QGZVFWFLSA-N 1 1 276.424 3.191 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCn2cccc2C1 ZINC001253239872 806190459 /nfs/dbraw/zinc/19/04/59/806190459.db2.gz UUNLWASYKNXNRK-QGZVFWFLSA-N 1 1 276.424 3.191 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@H](C(C)=O)C1 ZINC001253241624 806191862 /nfs/dbraw/zinc/19/18/62/806191862.db2.gz YHQZAOXDLBKIPM-IAGOWNOFSA-N 1 1 281.440 3.175 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+](CC)CCCN(C)C ZINC001253242512 806191974 /nfs/dbraw/zinc/19/19/74/806191974.db2.gz MISRAEARIFLYBQ-QGZVFWFLSA-N 1 1 284.488 3.148 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+](CC)CCCN(C)C ZINC001253242512 806191979 /nfs/dbraw/zinc/19/19/79/806191979.db2.gz MISRAEARIFLYBQ-QGZVFWFLSA-N 1 1 284.488 3.148 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@@H](OC)C[C@@H]1C ZINC001253241766 806192059 /nfs/dbraw/zinc/19/20/59/806192059.db2.gz DABRAVVDNPUZHM-YESZJQIVSA-N 1 1 283.456 3.373 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)C[C@H](O)COC(C)(C)C ZINC001253454512 806220998 /nfs/dbraw/zinc/22/09/98/806220998.db2.gz XZTPWZRATRXUFE-KRWDZBQOSA-N 1 1 291.435 3.241 20 30 CGEDMO C=C[C@@H](O)C[N@@H+]1CCCC[C@H]1c1ccc(C)c(C)c1 ZINC001253584040 806263916 /nfs/dbraw/zinc/26/39/16/806263916.db2.gz CTCRUAJAIMXGNM-SJORKVTESA-N 1 1 259.393 3.377 20 30 CGEDMO C=C[C@@H](O)C[N@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001253578887 806264031 /nfs/dbraw/zinc/26/40/31/806264031.db2.gz JOMZRJDLHHHHQO-TZMCWYRMSA-N 1 1 285.309 3.042 20 30 CGEDMO C=C[C@@H](O)CNc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001253587806 806265942 /nfs/dbraw/zinc/26/59/42/806265942.db2.gz GHCLODSWAVMDFD-LJQANCHMSA-N 1 1 294.398 3.161 20 30 CGEDMO Cc1cc(C)c(CNc2ccc(CC#N)c(C)[nH+]2)c(O)c1 ZINC001160811053 806306587 /nfs/dbraw/zinc/30/65/87/806306587.db2.gz CWXIFMRGFYYUTJ-UHFFFAOYSA-N 1 1 281.359 3.391 20 30 CGEDMO C=C[C@H](C)[C@H](C)C(=O)NCCC1=CC[N@@H+](CC(C)C)CC1 ZINC001160941819 806327053 /nfs/dbraw/zinc/32/70/53/806327053.db2.gz QQDFKCKCTINNGV-HOTGVXAUSA-N 1 1 292.467 3.239 20 30 CGEDMO CCCCCCC[N@@H+]1C[C@H](O)C[C@H]1c1nnc(C2CC2)o1 ZINC001254096992 806341811 /nfs/dbraw/zinc/34/18/11/806341811.db2.gz GFKJVKAYAHZXMK-KGLIPLIRSA-N 1 1 293.411 3.025 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H](O)C[C@H]1c1nnc(C2CC2)o1 ZINC001254096992 806341819 /nfs/dbraw/zinc/34/18/19/806341819.db2.gz GFKJVKAYAHZXMK-KGLIPLIRSA-N 1 1 293.411 3.025 20 30 CGEDMO Cc1cc(C#N)c(N[C@H]2CC[N@@H+](CC3CCCC3)C2)nc1C ZINC001161186826 806356374 /nfs/dbraw/zinc/35/63/74/806356374.db2.gz UVAQZNVXJCOANZ-KRWDZBQOSA-N 1 1 298.434 3.247 20 30 CGEDMO N#CC1(C[N@H+]2CCC[C@H]2COc2ccc(Cl)cc2)CC1 ZINC001254178651 806359565 /nfs/dbraw/zinc/35/95/65/806359565.db2.gz XWUWDRPTNMKTGT-AWEZNQCLSA-N 1 1 290.794 3.487 20 30 CGEDMO N#CC1(C[N@@H+]2CCC[C@H]2COc2ccc(Cl)cc2)CC1 ZINC001254178651 806359572 /nfs/dbraw/zinc/35/95/72/806359572.db2.gz XWUWDRPTNMKTGT-AWEZNQCLSA-N 1 1 290.794 3.487 20 30 CGEDMO C=CCC(C)(C)C(=O)NCCC1=CC[N@@H+](CC(C)C)CC1 ZINC001161343587 806366824 /nfs/dbraw/zinc/36/68/24/806366824.db2.gz KWIIRECPPXAZGQ-UHFFFAOYSA-N 1 1 292.467 3.383 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCC(F)(F)CC1 ZINC001254225607 806373700 /nfs/dbraw/zinc/37/37/00/806373700.db2.gz ZXRHQLQMYAOQTN-UOJUARBOSA-N 1 1 254.324 3.331 20 30 CGEDMO C[N@@H+](CCC#N)C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254353163 806383623 /nfs/dbraw/zinc/38/36/23/806383623.db2.gz SRDGYBNDKIIIBU-UHFFFAOYSA-N 1 1 285.366 3.375 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)CC(C)C)CC1 ZINC001161579766 806394950 /nfs/dbraw/zinc/39/49/50/806394950.db2.gz ZBSCHNXXATUQNA-INIZCTEOSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@@]2(C)CC)CC1 ZINC001161616569 806400447 /nfs/dbraw/zinc/40/04/47/806400447.db2.gz IUPVRKJADWFDTD-FUHWJXTLSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[C@]2(C)CC)CC1 ZINC001161616568 806400502 /nfs/dbraw/zinc/40/05/02/806400502.db2.gz IUPVRKJADWFDTD-AEFFLSMTSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)c2ccc(CC)cc2)CC1 ZINC001161805232 806457346 /nfs/dbraw/zinc/45/73/46/806457346.db2.gz AMFLMOAIPRAHHB-UHFFFAOYSA-N 1 1 298.430 3.187 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+](Cc2cccnc2)Cc2ccccn2)C1 ZINC001254663426 806477674 /nfs/dbraw/zinc/47/76/74/806477674.db2.gz BOEVCHAFXJZPAK-CRAIPNDOSA-N 1 1 292.386 3.171 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@@H+](Cc2cccnc2)Cc2ccccn2)C1 ZINC001254663426 806477677 /nfs/dbraw/zinc/47/76/77/806477677.db2.gz BOEVCHAFXJZPAK-CRAIPNDOSA-N 1 1 292.386 3.171 20 30 CGEDMO C[N@@H+]([C@H]1CC[C@@H](C#N)C1)C1CCN(Cc2ccccc2)CC1 ZINC001254661108 806477956 /nfs/dbraw/zinc/47/79/56/806477956.db2.gz PAGXMPCWDSKJCK-MJGOQNOKSA-N 1 1 297.446 3.275 20 30 CGEDMO C[N@@H+](CCc1cccc(C(F)(F)F)n1)[C@H]1CC[C@H](C#N)C1 ZINC001254660289 806478124 /nfs/dbraw/zinc/47/81/24/806478124.db2.gz HEZBTXQXYCYDGB-AAEUAGOBSA-N 1 1 297.324 3.267 20 30 CGEDMO COc1cccc(-c2nc(C[NH2+][C@@H]3CC[C@@H](C#N)C3)co2)c1 ZINC001254659015 806478461 /nfs/dbraw/zinc/47/84/61/806478461.db2.gz YQISPMOFHYRNKV-TZMCWYRMSA-N 1 1 297.358 3.132 20 30 CGEDMO COc1cccc([C@@H]2CC[N@H+]([C@@H]3CC[C@@H](C#N)C3)C2)c1 ZINC001254675963 806483336 /nfs/dbraw/zinc/48/33/36/806483336.db2.gz HDNAKYWSPADOAJ-FVQBIDKESA-N 1 1 270.376 3.177 20 30 CGEDMO N#C[C@H]1CC[C@H](n2ccc(C[NH2+]Cc3ccccc3)n2)C1 ZINC001254677263 806484965 /nfs/dbraw/zinc/48/49/65/806484965.db2.gz RPAUQMZSTUYUHR-RDJZCZTQSA-N 1 1 280.375 3.038 20 30 CGEDMO CC[C@H](CC#N)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC001255153019 806554943 /nfs/dbraw/zinc/55/49/43/806554943.db2.gz NSPPSVPCUYQJCO-OAHLLOKOSA-N 1 1 289.398 3.072 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]C[C@H](O)c1c(Cl)cccc1Cl ZINC001255157451 806558322 /nfs/dbraw/zinc/55/83/22/806558322.db2.gz QWJISYMNYCQDNG-CABZTGNLSA-N 1 1 287.190 3.309 20 30 CGEDMO CC[C@@H](CC#N)[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC001255173288 806567059 /nfs/dbraw/zinc/56/70/59/806567059.db2.gz YSBWFGWLGMOAPS-AWEZNQCLSA-N 1 1 276.355 3.361 20 30 CGEDMO CC[C@H](CC#N)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001255174432 806568010 /nfs/dbraw/zinc/56/80/10/806568010.db2.gz XCXGKWBPZDSQOD-RTBURBONSA-N 1 1 297.446 3.277 20 30 CGEDMO CC[C@H](CC#N)[NH+]1CCC2(Cc3ccccc3O2)CC1 ZINC001255176018 806570986 /nfs/dbraw/zinc/57/09/86/806570986.db2.gz UORGKHJKGUVJDA-OAHLLOKOSA-N 1 1 270.376 3.148 20 30 CGEDMO C=CCOCc1nn(C)c2c1C[N@@H+]([C@@H](C)CCCC)CC2 ZINC001255326581 806613429 /nfs/dbraw/zinc/61/34/29/806613429.db2.gz RRZHORBOKPCLJT-AWEZNQCLSA-N 1 1 291.439 3.060 20 30 CGEDMO C=CC[C@H]([NH2+]C1CCC(C(C)(C)C)CC1)C(=O)OC ZINC001255497365 806653491 /nfs/dbraw/zinc/65/34/91/806653491.db2.gz OLACAKGWDCPGEI-RUXDESIVSA-N 1 1 267.413 3.299 20 30 CGEDMO C[C@H]([NH2+]CC(C)(C)C#N)c1ccccc1OC(F)F ZINC000122283400 798989954 /nfs/dbraw/zinc/98/99/54/798989954.db2.gz KEPUZTHUCZKRQE-JTQLQIEISA-N 1 1 268.307 3.488 20 30 CGEDMO CCCCCCC[N@H+]1CCOCC2(CCOCC2)C1 ZINC000184097991 799115889 /nfs/dbraw/zinc/11/58/89/799115889.db2.gz NNQCNBCACUGJMW-UHFFFAOYSA-N 1 1 269.429 3.086 20 30 CGEDMO C#CC[N@@H+](C)CCCNCc1cccc(Cl)c1Cl ZINC000328061157 799250282 /nfs/dbraw/zinc/25/02/82/799250282.db2.gz BKRAZVIGHADPEK-UHFFFAOYSA-N 1 1 285.218 3.038 20 30 CGEDMO C#CCN(C)CCC[NH2+]Cc1cccc(Cl)c1Cl ZINC000328061157 799250286 /nfs/dbraw/zinc/25/02/86/799250286.db2.gz BKRAZVIGHADPEK-UHFFFAOYSA-N 1 1 285.218 3.038 20 30 CGEDMO C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000328109867 799250441 /nfs/dbraw/zinc/25/04/41/799250441.db2.gz NQBJTJJQPVORNJ-GFCCVEGCSA-N 1 1 282.790 3.085 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000373108217 799342259 /nfs/dbraw/zinc/34/22/59/799342259.db2.gz AMTXLLKSIWWHAR-RHSMWYFYSA-N 1 1 294.402 3.232 20 30 CGEDMO C#CCNc1[nH+]ccc2cc(-c3ccc(F)cc3)[nH]c21 ZINC001163363115 806747385 /nfs/dbraw/zinc/74/73/85/806747385.db2.gz GOFKKZVAIJAFQR-UHFFFAOYSA-N 1 1 265.291 3.414 20 30 CGEDMO C#CCCC1(CCNc2cccc(C3CC3)[nH+]2)N=N1 ZINC001163386611 806755383 /nfs/dbraw/zinc/75/53/83/806755383.db2.gz YLAMFXSAMMTNQI-UHFFFAOYSA-N 1 1 254.337 3.337 20 30 CGEDMO C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000695862731 799836031 /nfs/dbraw/zinc/83/60/31/799836031.db2.gz GJNVBTVRUFOVGO-AEFFLSMTSA-N 1 1 299.462 3.426 20 30 CGEDMO C[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000708724770 799993202 /nfs/dbraw/zinc/99/32/02/799993202.db2.gz UBRMACPHIUWQBU-ZDUSSCGKSA-N 1 1 286.272 3.472 20 30 CGEDMO C[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2C#N)C1 ZINC000708721842 799993433 /nfs/dbraw/zinc/99/34/33/799993433.db2.gz ZEHAAQWBMREGIH-ZDUSSCGKSA-N 1 1 268.282 3.333 20 30 CGEDMO C[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000708721842 799993436 /nfs/dbraw/zinc/99/34/36/799993436.db2.gz ZEHAAQWBMREGIH-ZDUSSCGKSA-N 1 1 268.282 3.333 20 30 CGEDMO C#CC[C@@H](COC)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000716339943 800168914 /nfs/dbraw/zinc/16/89/14/800168914.db2.gz JDKASXFFISKHFW-LBPRGKRZSA-N 1 1 274.751 3.338 20 30 CGEDMO C=CCc1cc(C)c[nH+]c1NCCc1ccc(OC)c(O)c1 ZINC001163726563 806809195 /nfs/dbraw/zinc/80/91/95/806809195.db2.gz RZIPQZJOQUKVGE-UHFFFAOYSA-N 1 1 298.386 3.487 20 30 CGEDMO CC(=O)C=C(C)Nc1ccc([C@H]2CC[N@H+](C)C2)cc1 ZINC001163743127 806814663 /nfs/dbraw/zinc/81/46/63/806814663.db2.gz ZIAXLBAJGQPJGF-WQTVUKCASA-N 1 1 258.365 3.010 20 30 CGEDMO C[C@H](COCc1ccccc1)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000719610303 800245735 /nfs/dbraw/zinc/24/57/35/800245735.db2.gz LSACMDARUDWTGG-DLBZAZTESA-N 1 1 286.419 3.465 20 30 CGEDMO C[N@H+](Cc1ccc(Cl)cc1)Cc1cncc(C#N)c1 ZINC000721559443 800294625 /nfs/dbraw/zinc/29/46/25/800294625.db2.gz MJOOENBESBFSFS-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO C[N@@H+](Cc1ccc(Cl)cc1)Cc1cncc(C#N)c1 ZINC000721559443 800294629 /nfs/dbraw/zinc/29/46/29/800294629.db2.gz MJOOENBESBFSFS-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO C[C@@H](c1ccccc1)[N@@H+](C)Cc1cncc(C#N)c1 ZINC000721583682 800295889 /nfs/dbraw/zinc/29/58/89/800295889.db2.gz CRBLEMVFARYSNW-ZDUSSCGKSA-N 1 1 251.333 3.146 20 30 CGEDMO N#Cc1cc(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)cs1 ZINC000892103151 800565897 /nfs/dbraw/zinc/56/58/97/800565897.db2.gz IYEVLILAMLLRTM-UHFFFAOYSA-N 1 1 294.383 3.095 20 30 CGEDMO COc1cccc(C[C@H](C)[N@H+]2CCC[C@H](C#N)CC2)c1 ZINC001256167037 806842881 /nfs/dbraw/zinc/84/28/81/806842881.db2.gz GYVNWAVNLRUDHS-GJZGRUSLSA-N 1 1 272.392 3.252 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C(F)F)c(F)c1)C1CC1 ZINC000893612460 800574624 /nfs/dbraw/zinc/57/46/24/800574624.db2.gz PYHMSJAUOOBFRZ-UHFFFAOYSA-N 1 1 253.267 3.361 20 30 CGEDMO C#CC[N@H+](Cc1sc(C)nc1C(F)(F)F)C(C)C ZINC000932387224 800664176 /nfs/dbraw/zinc/66/41/76/800664176.db2.gz CDRUXWPZUUHJGS-UHFFFAOYSA-N 1 1 276.327 3.314 20 30 CGEDMO C#CC[N@@H+](Cc1sc(C)nc1C(F)(F)F)C(C)C ZINC000932387224 800664179 /nfs/dbraw/zinc/66/41/79/800664179.db2.gz CDRUXWPZUUHJGS-UHFFFAOYSA-N 1 1 276.327 3.314 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000934458968 800677833 /nfs/dbraw/zinc/67/78/33/800677833.db2.gz GWTSVYUJSSAAIF-KBPBESRZSA-N 1 1 285.309 3.389 20 30 CGEDMO N#Cc1ccccc1C[NH2+][C@H](c1ccncc1)C1CC1 ZINC000934688181 800680398 /nfs/dbraw/zinc/68/03/98/800680398.db2.gz UAKRGXNAPHYNNT-KRWDZBQOSA-N 1 1 263.344 3.194 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)C2CC3(CC3)C2)CC1 ZINC000998128456 800696047 /nfs/dbraw/zinc/69/60/47/800696047.db2.gz YOVSDGQKCAEWKI-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)c2ccc(C)c(C)c2)CC1 ZINC001001422197 800697275 /nfs/dbraw/zinc/69/72/75/800697275.db2.gz BKZQNXMHGAAQIU-UHFFFAOYSA-N 1 1 298.430 3.241 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)c2cccc(C)c2C)CC1 ZINC001001421004 800697333 /nfs/dbraw/zinc/69/73/33/800697333.db2.gz YLTVTRMOOMXYFX-UHFFFAOYSA-N 1 1 298.430 3.241 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001023486157 800712111 /nfs/dbraw/zinc/71/21/11/800712111.db2.gz KRCBTKWZJKFUGX-ARFHVFGLSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](CNC(=O)c2coc3ccccc23)C1 ZINC001023775707 800714732 /nfs/dbraw/zinc/71/47/32/800714732.db2.gz FGDKONDFTNKNBR-AWEZNQCLSA-N 1 1 298.386 3.061 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1sccc1C ZINC001024295399 800721970 /nfs/dbraw/zinc/72/19/70/800721970.db2.gz HFPIBPFZCNJUHT-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)C1CCCCCC1 ZINC001024359029 800726127 /nfs/dbraw/zinc/72/61/27/800726127.db2.gz NGLKCPFKPSTEFI-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)C1CCC2(CC2)CC1 ZINC001024558945 800730585 /nfs/dbraw/zinc/73/05/85/800730585.db2.gz PHKXEBSITVJDSE-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(Cl)cs1 ZINC001024692466 800735761 /nfs/dbraw/zinc/73/57/61/800735761.db2.gz LUOKZZBSAJNYGS-GFCCVEGCSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(Cl)cs1 ZINC001024692466 800735767 /nfs/dbraw/zinc/73/57/67/800735767.db2.gz LUOKZZBSAJNYGS-GFCCVEGCSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C=C1CCC1 ZINC001025217753 800750746 /nfs/dbraw/zinc/75/07/46/800750746.db2.gz FOSAIFJKIOPCJS-SJORKVTESA-N 1 1 288.435 3.128 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1CC ZINC001025257901 800751965 /nfs/dbraw/zinc/75/19/65/800751965.db2.gz GPFNWXYZNLHUCU-LSDHHAIUSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001025524973 800762874 /nfs/dbraw/zinc/76/28/74/800762874.db2.gz WPFIYMVYDXYSLX-WBVHZDCISA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc(C)cc2)C1 ZINC001025603901 800764451 /nfs/dbraw/zinc/76/44/51/800764451.db2.gz YXPBTPJUSXASQN-WBVHZDCISA-N 1 1 286.419 3.011 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)C2CCCCC2)C1 ZINC001027274663 800788123 /nfs/dbraw/zinc/78/81/23/800788123.db2.gz CBTQEIQFGJTTJH-OAHLLOKOSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)C2CCCCC2)C1 ZINC001027274663 800788128 /nfs/dbraw/zinc/78/81/28/800788128.db2.gz CBTQEIQFGJTTJH-OAHLLOKOSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@]2(C)CC=CCC2)C1 ZINC001027423967 800795316 /nfs/dbraw/zinc/79/53/16/800795316.db2.gz NJPWVFHIEQAKBY-WMZOPIPTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)CC(C)C)C1 ZINC001027519420 800799891 /nfs/dbraw/zinc/79/98/91/800799891.db2.gz MUNTXKUBWAGTJQ-OAHLLOKOSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]([N@@H+](C)CCC2CC2)C1 ZINC001027560036 800803415 /nfs/dbraw/zinc/80/34/15/800803415.db2.gz OHGKIYGZBIJKEB-AEFFLSMTSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC001027658445 800808995 /nfs/dbraw/zinc/80/89/95/800808995.db2.gz KDWQSXJWYWHJDZ-OAHLLOKOSA-N 1 1 292.810 3.062 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC001027658444 800809348 /nfs/dbraw/zinc/80/93/48/800809348.db2.gz KDWQSXJWYWHJDZ-HNNXBMFYSA-N 1 1 292.810 3.062 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 ZINC001027661649 800810221 /nfs/dbraw/zinc/81/02/21/800810221.db2.gz GLKYXFFOMQZFPW-HNNXBMFYSA-N 1 1 292.810 3.062 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(C)oc1C ZINC001027748646 800817942 /nfs/dbraw/zinc/81/79/42/800817942.db2.gz KDNFPRUNVCRISO-HNNXBMFYSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001027902988 800825345 /nfs/dbraw/zinc/82/53/45/800825345.db2.gz AQEDQPPBXDFBIC-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(C)sc1C ZINC001028009202 800828617 /nfs/dbraw/zinc/82/86/17/800828617.db2.gz JQAQILVDQCUURC-AWEZNQCLSA-N 1 1 292.448 3.135 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)C1CCC(F)CC1 ZINC001028117369 800831594 /nfs/dbraw/zinc/83/15/94/800831594.db2.gz PFKCOSLYSWJAFP-UYSNPLJNSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2C[C@@H](C)CC)CC1 ZINC001028116979 800832122 /nfs/dbraw/zinc/83/21/22/800832122.db2.gz LNMJFWNXRVWEQZ-YOEHRIQHSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1C1(C)CC1 ZINC001028135441 800833073 /nfs/dbraw/zinc/83/30/73/800833073.db2.gz SBNVZWXAHZRPHJ-HNNXBMFYSA-N 1 1 298.430 3.118 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2c(cccc2C)o1 ZINC001028338769 800842186 /nfs/dbraw/zinc/84/21/86/800842186.db2.gz HWHTYYALDLGYQN-AWEZNQCLSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCCC1(C)C ZINC001028336657 800843058 /nfs/dbraw/zinc/84/30/58/800843058.db2.gz AQMNHBYGIGYTIJ-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](CNC(=O)c2ccsc2Cl)C1 ZINC001028847347 800854002 /nfs/dbraw/zinc/85/40/02/800854002.db2.gz FKSAZSBVBGENIN-NSHDSACASA-N 1 1 298.839 3.029 20 30 CGEDMO C=C1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(C)C)CC1 ZINC001029452961 800868618 /nfs/dbraw/zinc/86/86/18/800868618.db2.gz DWKVHTVWFDKVED-CALCHBBNSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC ZINC001029456647 800868820 /nfs/dbraw/zinc/86/88/20/800868820.db2.gz KLBYVBQVVQQHMP-UXLLHSPISA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)c2ccc(Cl)c(C)c2)C1 ZINC001030890495 800900123 /nfs/dbraw/zinc/90/01/23/800900123.db2.gz MNUMPYPRDJDXFN-UHFFFAOYSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)c2ccc(CCC)cc2)C1 ZINC001030872743 800900356 /nfs/dbraw/zinc/90/03/56/800900356.db2.gz TZSXABLNUGHGRG-UHFFFAOYSA-N 1 1 286.419 3.019 20 30 CGEDMO C=C1CCC(C(=O)NC2C[NH+](CC3=CCCCC3)C2)CC1 ZINC001030899816 800900861 /nfs/dbraw/zinc/90/08/61/800900861.db2.gz IQXYTXHGPZQNOA-UHFFFAOYSA-N 1 1 288.435 3.034 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC1CCCC1 ZINC001032259728 800922504 /nfs/dbraw/zinc/92/25/04/800922504.db2.gz RCKYDXJKUMNXJO-IRXDYDNUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1=CCCCC1 ZINC001032317824 800924933 /nfs/dbraw/zinc/92/49/33/800924933.db2.gz BEWUBJDUFMJNGR-IRXDYDNUSA-N 1 1 288.435 3.128 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC(C)C ZINC001032422805 800927351 /nfs/dbraw/zinc/92/73/51/800927351.db2.gz MJPLQQKTUFEODF-KBPBESRZSA-N 1 1 298.858 3.096 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](C)CC ZINC001032422758 800928450 /nfs/dbraw/zinc/92/84/50/800928450.db2.gz KPMNEJJCJSYASX-XBFCOCLRSA-N 1 1 298.858 3.096 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1CCC ZINC001032511548 800929034 /nfs/dbraw/zinc/92/90/34/800929034.db2.gz ROYGPKZTZPMJFV-IRXDYDNUSA-N 1 1 298.430 3.114 20 30 CGEDMO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCCC1 ZINC001032562901 800930605 /nfs/dbraw/zinc/93/06/05/800930605.db2.gz ILDKSRSPJMTRSN-HOTGVXAUSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)C23CCC(CC2)C3)C1 ZINC001033193277 800955577 /nfs/dbraw/zinc/95/55/77/800955577.db2.gz DTKPXBBMLYMFNS-UPTPFMHGSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C23CCC(CC2)C3)C1 ZINC001033193276 800956478 /nfs/dbraw/zinc/95/64/78/800956478.db2.gz DTKPXBBMLYMFNS-PQUAAJSLSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CCC(C)C)C2)CC1 ZINC001033396490 800962643 /nfs/dbraw/zinc/96/26/43/800962643.db2.gz OLRMOAGFEAOXAE-QGZVFWFLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2c(C)cccc2C)C1 ZINC001033444623 800964302 /nfs/dbraw/zinc/96/43/02/800964302.db2.gz XSEGEKMMUZLUCK-MRXNPFEDSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2csc(C)c2)C1 ZINC001033500299 800965470 /nfs/dbraw/zinc/96/54/70/800965470.db2.gz IQHBKGADJXQPPD-HNNXBMFYSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CCCC(C)(C)C2)C1 ZINC001033592762 800969544 /nfs/dbraw/zinc/96/95/44/800969544.db2.gz CWMDVPIKRYTIIF-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Cl)cc2)C1 ZINC001033603208 800969630 /nfs/dbraw/zinc/96/96/30/800969630.db2.gz IPNOIPAZVROTFO-OAHLLOKOSA-N 1 1 292.810 3.062 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2C2CCC2)C1 ZINC001033623706 800972312 /nfs/dbraw/zinc/97/23/12/800972312.db2.gz GRRIHPKUFMMQNK-INIZCTEOSA-N 1 1 298.430 3.286 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2sccc2C(C)C)C1 ZINC001033679286 800973839 /nfs/dbraw/zinc/97/38/39/800973839.db2.gz VWFLYGLQBVHGLQ-CYBMUJFWSA-N 1 1 292.448 3.204 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC001033710847 800976672 /nfs/dbraw/zinc/97/66/72/800976672.db2.gz KEGAYUUHDCMSFU-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc(C)c2)C1 ZINC001033737386 800980968 /nfs/dbraw/zinc/98/09/68/800980968.db2.gz NXIWMSOCNZSKIU-QGZVFWFLSA-N 1 1 286.419 3.108 20 30 CGEDMO C#Cc1ccc(C(=O)N(CC)[C@@H]2CC[N@H+](CCCC)C2)cc1 ZINC001033922441 800987947 /nfs/dbraw/zinc/98/79/47/800987947.db2.gz JZSOUAULFUNXPW-GOSISDBHSA-N 1 1 298.430 3.004 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(C)co2)C1 ZINC001033933601 800988536 /nfs/dbraw/zinc/98/85/36/800988536.db2.gz DYKPNCKFUZTFAD-HNNXBMFYSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(C)co2)C1 ZINC001033933602 800989516 /nfs/dbraw/zinc/98/95/16/800989516.db2.gz DYKPNCKFUZTFAD-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2ccccc2)C1 ZINC001034081894 801002343 /nfs/dbraw/zinc/00/23/43/801002343.db2.gz YVHWYKCHWLEMAV-HNNXBMFYSA-N 1 1 292.810 3.023 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2ccccc2)C1 ZINC001034081894 801002349 /nfs/dbraw/zinc/00/23/49/801002349.db2.gz YVHWYKCHWLEMAV-HNNXBMFYSA-N 1 1 292.810 3.023 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2cccc(C)c2)C1 ZINC001034082178 801002419 /nfs/dbraw/zinc/00/24/19/801002419.db2.gz DDWAKXDVZFJKMS-KRWDZBQOSA-N 1 1 286.419 3.155 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)c2ccc(C)o2)C1 ZINC001034093870 801005089 /nfs/dbraw/zinc/00/50/89/801005089.db2.gz YDUAXBOHKQSDMV-OAHLLOKOSA-N 1 1 290.407 3.139 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@H](NC(=O)CC2=CCCCC2)C1 ZINC001034132973 801007535 /nfs/dbraw/zinc/00/75/35/801007535.db2.gz LYLACNVWLYPIDP-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)CC2=CCCCC2)C1 ZINC001034133461 801008362 /nfs/dbraw/zinc/00/83/62/801008362.db2.gz PRBJPZAZUUITBV-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)C2(C3CC3)CCC2)C1 ZINC001034332213 801018520 /nfs/dbraw/zinc/01/85/20/801018520.db2.gz VKDRZVRDUJJJEB-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001034388572 801022769 /nfs/dbraw/zinc/02/27/69/801022769.db2.gz HLMYAHIPAAHPOI-SOLBZPMBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@H+](CCCC)C2)C1 ZINC001034389343 801024002 /nfs/dbraw/zinc/02/40/02/801024002.db2.gz PLWGLGMZHDAFMC-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccccc2Cl)C1 ZINC001034502051 801029635 /nfs/dbraw/zinc/02/96/35/801029635.db2.gz CGWQSGZECWEMGS-CYBMUJFWSA-N 1 1 292.810 3.110 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccoc2C(C)C)C1 ZINC001034546149 801033288 /nfs/dbraw/zinc/03/32/88/801033288.db2.gz HETMPNAZAZYMSS-CQSZACIVSA-N 1 1 290.407 3.173 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](F)CC)CC2 ZINC001035211559 801055790 /nfs/dbraw/zinc/05/57/90/801055790.db2.gz LVWLAMRGBJEJIX-HNNXBMFYSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]21 ZINC001036628014 801084368 /nfs/dbraw/zinc/08/43/68/801084368.db2.gz UJNNLGOIUAEDEA-ZWKOTPCHSA-N 1 1 298.430 3.189 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)CC3CCCC3)CC[C@H]21 ZINC001036633203 801084713 /nfs/dbraw/zinc/08/47/13/801084713.db2.gz YPFLUSGVBQGFRO-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CCC3CCC3)CC[C@H]21 ZINC001036679232 801087585 /nfs/dbraw/zinc/08/75/85/801087585.db2.gz DBTBWTUFIGQZLJ-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCC)C1 ZINC001036725991 801090567 /nfs/dbraw/zinc/09/05/67/801090567.db2.gz FYYFGRJLAIWOKU-KBPBESRZSA-N 1 1 298.858 3.098 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(Cl)c1C ZINC001038288293 801122536 /nfs/dbraw/zinc/12/25/36/801122536.db2.gz LEKPRGQGVOUPOO-ZDUSSCGKSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(CC)s1 ZINC001038490860 801127533 /nfs/dbraw/zinc/12/75/33/801127533.db2.gz DNZZGYYUBQDCTR-CYBMUJFWSA-N 1 1 292.448 3.081 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1cc(Cl)ccc1C ZINC001038821677 801134083 /nfs/dbraw/zinc/13/40/83/801134083.db2.gz BTVFZCIEQPYGGO-AWEZNQCLSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1cc(Cl)ccc1C ZINC001038821677 801134087 /nfs/dbraw/zinc/13/40/87/801134087.db2.gz BTVFZCIEQPYGGO-AWEZNQCLSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1oc2ccccc2c1C ZINC001038996093 801140804 /nfs/dbraw/zinc/14/08/04/801140804.db2.gz KLIFTNWMLHHMRH-CQSZACIVSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1oc2ccccc2c1C ZINC001038996093 801140806 /nfs/dbraw/zinc/14/08/06/801140806.db2.gz KLIFTNWMLHHMRH-CQSZACIVSA-N 1 1 298.386 3.121 20 30 CGEDMO C=CC[N@H+]1CC[C@H]1CNC(=O)c1ccc([C@@H](C)CC)cc1 ZINC001039057319 801143458 /nfs/dbraw/zinc/14/34/58/801143458.db2.gz QWODXEWRWFONMZ-YOEHRIQHSA-N 1 1 286.419 3.190 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc([C@@H](C)CC)cc1 ZINC001039057319 801143464 /nfs/dbraw/zinc/14/34/64/801143464.db2.gz QWODXEWRWFONMZ-YOEHRIQHSA-N 1 1 286.419 3.190 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)/C(C)=C/C)C1 ZINC001039204169 801153129 /nfs/dbraw/zinc/15/31/29/801153129.db2.gz VGAOYXUQRDNYOU-KTHYOXIYSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1(C)CC1 ZINC001039406964 801161510 /nfs/dbraw/zinc/16/15/10/801161510.db2.gz RHZYBONFQLPEQL-CVEARBPZSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC([N@@H+](CC)CC2CC2)CC1 ZINC001039488701 801162902 /nfs/dbraw/zinc/16/29/02/801162902.db2.gz YUJWEBFHQUOQHP-GOSISDBHSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C)c1C ZINC001039465559 801163597 /nfs/dbraw/zinc/16/35/97/801163597.db2.gz MLJNPBLYNDTLDE-SJORKVTESA-N 1 1 298.430 3.168 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@]2(CCN(C(=O)/C(C)=C/C)C2)C1 ZINC001040144150 801173795 /nfs/dbraw/zinc/17/37/95/801173795.db2.gz CRBYEBWMTVITOD-DQNFTHGOSA-N 1 1 296.842 3.020 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@]2(CCN(C(=O)/C(C)=C/C)C2)C1 ZINC001040144150 801173796 /nfs/dbraw/zinc/17/37/96/801173796.db2.gz CRBYEBWMTVITOD-DQNFTHGOSA-N 1 1 296.842 3.020 20 30 CGEDMO C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C)C(C)(C)C)C2)C1 ZINC001040263734 801175134 /nfs/dbraw/zinc/17/51/34/801175134.db2.gz HRTGQEYVKJDJLR-QAPCUYQASA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)C(=C)C)C2)C1 ZINC001040321464 801175733 /nfs/dbraw/zinc/17/57/33/801175733.db2.gz CDABFICFENHSNI-GOSISDBHSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@](C)(C=C)CC)C2)C1 ZINC001040372378 801176940 /nfs/dbraw/zinc/17/69/40/801176940.db2.gz PLSOYJQIYUJOGO-MSOLQXFVSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@]2(CC[N@H+](CC(C)C)C2)C1 ZINC001041536453 801189301 /nfs/dbraw/zinc/18/93/01/801189301.db2.gz NRGVJCQAFHPLEK-SFHVURJKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@@]2(CC[N@H+](CCC(=C)C)C2)C1 ZINC001041545891 801191661 /nfs/dbraw/zinc/19/16/61/801191661.db2.gz ZLUUKZXDHIEMID-GOSISDBHSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)C3(C)CCCCC3)C2)C1 ZINC001041632438 801192639 /nfs/dbraw/zinc/19/26/39/801192639.db2.gz IDXMPMXYSFLOOK-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(C)c3)C[C@H]21 ZINC001041912294 801196535 /nfs/dbraw/zinc/19/65/35/801196535.db2.gz JIJJIFFBXIQLQN-SJLPKXTDSA-N 1 1 298.430 3.108 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)CC3CCCC3)C[C@@H]21 ZINC001041915417 801197580 /nfs/dbraw/zinc/19/75/80/801197580.db2.gz HHVRZPWCKMKHOW-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)C3CCCCC3)C[C@@H]21 ZINC001041911935 801197592 /nfs/dbraw/zinc/19/75/92/801197592.db2.gz ZILYVMHXHFHIRI-WBVHZDCISA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(CC)CC)C[C@H]21 ZINC001041949398 801198432 /nfs/dbraw/zinc/19/84/32/801198432.db2.gz IHNDZPZINBHKAN-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[NH+]1CC(N(C)C(=O)c2ccccc2C(C)C)C1 ZINC001042853929 801215475 /nfs/dbraw/zinc/21/54/75/801215475.db2.gz UJEYILSLUUPEIZ-UHFFFAOYSA-N 1 1 286.419 3.142 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@H]2CC=CCC2)CC1 ZINC001045362380 801272694 /nfs/dbraw/zinc/27/26/94/801272694.db2.gz QGPMATDOFANEMD-AWEZNQCLSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001046320544 801306998 /nfs/dbraw/zinc/30/69/98/801306998.db2.gz JMCOLKOYWZZZBS-WBVHZDCISA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001046755031 801323989 /nfs/dbraw/zinc/32/39/89/801323989.db2.gz VJSSERCIDYTHPH-RDJZCZTQSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2cc(C)ccc2C)C1 ZINC001046796720 801326295 /nfs/dbraw/zinc/32/62/95/801326295.db2.gz OHFCLMZYZCDASW-SFHVURJKSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(C(C)C)s2)C1 ZINC001046859991 801330594 /nfs/dbraw/zinc/33/05/94/801330594.db2.gz ALLVCOYWFDWHCU-MRXNPFEDSA-N 1 1 292.448 3.252 20 30 CGEDMO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CCCC1)C2 ZINC001048496779 801348330 /nfs/dbraw/zinc/34/83/30/801348330.db2.gz OGFCQEZMOFBIFR-ACHSLPGTSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C1CCC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3CC)CC1 ZINC001048560016 801350302 /nfs/dbraw/zinc/35/03/02/801350302.db2.gz DPJQAOYJCALARS-ACHSLPGTSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@H+]1C[C@H]2CN(C(=O)C(C)(C)C(C)(C)C)C[C@H]2C1 ZINC001048982897 801354697 /nfs/dbraw/zinc/35/46/97/801354697.db2.gz MEFLAHLQPYOXPW-GASCZTMLSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC1CCCC1 ZINC001049304546 801362206 /nfs/dbraw/zinc/36/22/06/801362206.db2.gz PQHSSXVEWMGUHO-IRXDYDNUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC(C)(C)C ZINC001049327257 801365216 /nfs/dbraw/zinc/36/52/16/801365216.db2.gz NOULZFOCGNBVCC-LSDHHAIUSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC1(C)C ZINC001049424407 801372702 /nfs/dbraw/zinc/37/27/02/801372702.db2.gz DIRJBUXPARSHKI-HRCADAONSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC ZINC001049500158 801375588 /nfs/dbraw/zinc/37/55/88/801375588.db2.gz CRYVKAGFMGFDRR-KBPBESRZSA-N 1 1 298.858 3.240 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H](C)c1ccccc1 ZINC001049849267 801387596 /nfs/dbraw/zinc/38/75/96/801387596.db2.gz RTUKKKSPCSGMNL-SZMVWBNQSA-N 1 1 298.430 3.041 20 30 CGEDMO C=C[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC)c1ccccc1 ZINC001049907637 801393201 /nfs/dbraw/zinc/39/32/01/801393201.db2.gz DNASCOWJQQNCNA-KSZLIROESA-N 1 1 298.430 3.041 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)CC3(C)CC3)[C@@H]2C1 ZINC001050099097 801398293 /nfs/dbraw/zinc/39/82/93/801398293.db2.gz ABQIQZQWEFXWGE-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C)CC1 ZINC001052170437 801423014 /nfs/dbraw/zinc/42/30/14/801423014.db2.gz VNEMAEPAWSCBPS-MRXNPFEDSA-N 1 1 286.419 3.155 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C2(C)CCC2)CC1 ZINC001052629852 801441841 /nfs/dbraw/zinc/44/18/41/801441841.db2.gz SPAKVURCXDTQTB-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C2CC2)CC1 ZINC001052638411 801442968 /nfs/dbraw/zinc/44/29/68/801442968.db2.gz YEDNAWXGEHXQAJ-AWEZNQCLSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[C@H](CC)CC2)CC1 ZINC001052882064 801453789 /nfs/dbraw/zinc/45/37/89/801453789.db2.gz AIBNPQQUVDETOF-BRWVUGGUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C2CCC(C)(C)CC2)CC1 ZINC001052963601 801456928 /nfs/dbraw/zinc/45/69/28/801456928.db2.gz YAEXXINBOXDEKR-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)c2coc3ccccc23)CC1 ZINC001052975248 801460465 /nfs/dbraw/zinc/46/04/65/801460465.db2.gz WVJGMGUSIYKTFT-CQSZACIVSA-N 1 1 298.386 3.203 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC(C)C)C2)C1 ZINC001053005591 801462010 /nfs/dbraw/zinc/46/20/10/801462010.db2.gz PGXSQCIJAQREHK-IRXDYDNUSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC(C)(C)C)C2 ZINC001054086656 801472214 /nfs/dbraw/zinc/47/22/14/801472214.db2.gz RYXDVUWRPNSMNB-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C=C(C)C)C2 ZINC001054078061 801472426 /nfs/dbraw/zinc/47/24/26/801472426.db2.gz GHOCRLPKZNPDLV-GOSISDBHSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)CC)C2 ZINC001054090457 801473115 /nfs/dbraw/zinc/47/31/15/801473115.db2.gz BGOXFJWYCJAHTP-SJLPKXTDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)CC)C2 ZINC001054089982 801474268 /nfs/dbraw/zinc/47/42/68/801474268.db2.gz RUGXWEZKGNLIMT-CZUORRHYSA-N 1 1 298.858 3.100 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCC1CCC1)C2 ZINC001054112083 801475635 /nfs/dbraw/zinc/47/56/35/801475635.db2.gz IQZDGGWPTAVMAJ-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)CC2CCCC2)CC[C@@H]1C ZINC001071315460 801525740 /nfs/dbraw/zinc/52/57/40/801525740.db2.gz XWQHGPLTDKFAKM-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C2CCCCC2)CC[C@H]1C ZINC001071322630 801527929 /nfs/dbraw/zinc/52/79/29/801527929.db2.gz XUOQSVNXSQLGRF-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(Cl)o2)CC[C@H]1C ZINC001071351890 801532288 /nfs/dbraw/zinc/53/22/88/801532288.db2.gz JRCNUVDXDCDXHO-NEPJUHHUSA-N 1 1 296.798 3.092 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccoc2Cl)CC[C@@H]1C ZINC001071467481 801538722 /nfs/dbraw/zinc/53/87/22/801538722.db2.gz RTZWUBFYYGAWSE-RYUDHWBXSA-N 1 1 296.798 3.092 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2c(C)coc2C)CC[C@H]1C ZINC001071478825 801539174 /nfs/dbraw/zinc/53/91/74/801539174.db2.gz YWZXPLCNDNRYFP-UKRRQHHQSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)c2occc2C(C)C)CC[C@@H]1C ZINC001071762357 801549631 /nfs/dbraw/zinc/54/96/31/801549631.db2.gz MNUHFQGYOFUSIB-UONOGXRCSA-N 1 1 290.407 3.172 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2cocc2C)CC[C@@H]1C ZINC001071743750 801549775 /nfs/dbraw/zinc/54/97/75/801549775.db2.gz DOOORTRQWVPWKA-LSDHHAIUSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cc(Cl)cs2)CC[C@@H]1C ZINC001071868212 801555726 /nfs/dbraw/zinc/55/57/26/801555726.db2.gz HUOUVQQPIYIJDU-JQWIXIFHSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(Cl)cs2)CC[C@@H]1C ZINC001071868212 801555733 /nfs/dbraw/zinc/55/57/33/801555733.db2.gz HUOUVQQPIYIJDU-JQWIXIFHSA-N 1 1 298.839 3.170 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2csc(C)c2)CC[C@H]1C ZINC001071898172 801557313 /nfs/dbraw/zinc/55/73/13/801557313.db2.gz WWWJGXNDWXMHQK-IUODEOHRSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@H+]1C[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)CC[C@@H]1C ZINC001072006128 801559376 /nfs/dbraw/zinc/55/93/76/801559376.db2.gz QWLRQNRGDFJMJW-LUKYLMHMSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)cc2)CC[C@H]1C ZINC001072013306 801560515 /nfs/dbraw/zinc/56/05/15/801560515.db2.gz XMPIXASPNMMXKN-WBVHZDCISA-N 1 1 286.419 3.154 20 30 CGEDMO C=C(CC)C(=O)Nc1c[nH+]ccc1Nc1ccccc1 ZINC001164239872 806921310 /nfs/dbraw/zinc/92/13/10/806921310.db2.gz MJXHUVHTUQLYMW-UHFFFAOYSA-N 1 1 267.332 3.152 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001079567306 801645874 /nfs/dbraw/zinc/64/58/74/801645874.db2.gz BHAMUWZABUPARY-UKRRQHHQSA-N 1 1 294.414 3.187 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C=C2CCCCC2)C1 ZINC001079472703 801645909 /nfs/dbraw/zinc/64/59/09/801645909.db2.gz FFUVCPHWXAFIPM-NVXWUHKLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2=CCCCCC2)C1 ZINC001079622597 801646671 /nfs/dbraw/zinc/64/66/71/801646671.db2.gz YKORASGTERHZSY-NVXWUHKLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC=CCC2)C1 ZINC001080270816 801649490 /nfs/dbraw/zinc/64/94/90/801649490.db2.gz ZXBGCAUDKMKJKQ-IXDOHACOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(F)CCCCC2)C1 ZINC001080719977 801655081 /nfs/dbraw/zinc/65/50/81/801655081.db2.gz AKOAOFPDXXVYPW-HUUCEWRRSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001080891290 801656917 /nfs/dbraw/zinc/65/69/17/801656917.db2.gz CONWYPQOSSDWPI-UKRRQHHQSA-N 1 1 298.386 3.059 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(C)c1 ZINC001085466128 801688146 /nfs/dbraw/zinc/68/81/46/801688146.db2.gz PBGWBFYEUKHZFC-QGZVFWFLSA-N 1 1 286.419 3.108 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001085612421 801696845 /nfs/dbraw/zinc/69/68/45/801696845.db2.gz QXSRUWNAMWCHHP-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1coc2c1cccc2C ZINC001085643381 801697307 /nfs/dbraw/zinc/69/73/07/801697307.db2.gz NDEWSFZYVGIEQG-AWEZNQCLSA-N 1 1 298.386 3.074 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1coc2c1cccc2C ZINC001085643381 801697312 /nfs/dbraw/zinc/69/73/12/801697312.db2.gz NDEWSFZYVGIEQG-AWEZNQCLSA-N 1 1 298.386 3.074 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1cscc1Cl ZINC001085658642 801698224 /nfs/dbraw/zinc/69/82/24/801698224.db2.gz XGEMTEOXQFABNQ-LLVKDONJSA-N 1 1 298.839 3.124 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cscc1Cl ZINC001085658642 801698226 /nfs/dbraw/zinc/69/82/26/801698226.db2.gz XGEMTEOXQFABNQ-LLVKDONJSA-N 1 1 298.839 3.124 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001085718995 801700473 /nfs/dbraw/zinc/70/04/73/801700473.db2.gz HAKGQDOWQIFECP-ARFHVFGLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC1(C)C ZINC001085773368 801704191 /nfs/dbraw/zinc/70/41/91/801704191.db2.gz ATIKUYDJTSUZTG-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CC[C@@H](C)F)CC1 ZINC001085800760 801704802 /nfs/dbraw/zinc/70/48/02/801704802.db2.gz BGSDMACCOIQAJD-GDBMZVCRSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC(C)(C)C1 ZINC001085804366 801705235 /nfs/dbraw/zinc/70/52/35/801705235.db2.gz HQTKNHRTJNRDFK-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CC(C(C)(C)C)C1 ZINC001085996853 801718399 /nfs/dbraw/zinc/71/83/99/801718399.db2.gz ZQWACVCFUSPHLZ-UYSNPLJNSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C(C)C)C(C)(C)[C@H]21 ZINC001087274897 801748070 /nfs/dbraw/zinc/74/80/70/801748070.db2.gz YEDQGRGIUNEXHA-MCIONIFRSA-N 1 1 298.858 3.000 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C(C)C)C(C)(C)[C@H]21 ZINC001087274897 801748072 /nfs/dbraw/zinc/74/80/72/801748072.db2.gz YEDQGRGIUNEXHA-MCIONIFRSA-N 1 1 298.858 3.000 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2c(C)coc2C)[C@H]1CC ZINC001087561169 801757335 /nfs/dbraw/zinc/75/73/35/801757335.db2.gz HKCOXVLKDBKILU-LSDHHAIUSA-N 1 1 290.407 3.055 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)cs2)[C@H]1CC ZINC001087564741 801757809 /nfs/dbraw/zinc/75/78/09/801757809.db2.gz RNBXJXCFRMPSOM-UONOGXRCSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2csc(Cl)c2)[C@H]1CC ZINC001087748767 801766801 /nfs/dbraw/zinc/76/68/01/801766801.db2.gz AMGVTXBIKGBRBQ-NWDGAFQWSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](C[C@H](C)CC)CC[C@@H]2C1 ZINC001088066227 801774455 /nfs/dbraw/zinc/77/44/55/801774455.db2.gz BXXPRCXGOSIVGH-OAGGEKHMSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)[C@H]1C ZINC001088586381 801801105 /nfs/dbraw/zinc/80/11/05/801801105.db2.gz QJXARFNERQEXEW-ZACQAIPSSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC=CCCC2)[C@H]1C ZINC001088657037 801805448 /nfs/dbraw/zinc/80/54/48/801805448.db2.gz PGHVNENWAQHJDP-ZACQAIPSSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2CCC(C)(C)CC2)[C@H]1C ZINC001089065374 801817886 /nfs/dbraw/zinc/81/78/86/801817886.db2.gz DPILEWBBCILVGV-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)CC2CCC2)CC(C)(C)C1 ZINC001089344590 801833500 /nfs/dbraw/zinc/83/35/00/801833500.db2.gz OBGDIKQSKMNIPC-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C)C(C)(C)C)C[C@]2(C)C1 ZINC001091786263 801860871 /nfs/dbraw/zinc/86/08/71/801860871.db2.gz YOBOIGAKFJLESM-RKVPGOIHSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC(C)(C)C2)[C@H](C)C1 ZINC001092945381 801863877 /nfs/dbraw/zinc/86/38/77/801863877.db2.gz BBPDRUMZNDNFFO-OWCLPIDISA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1C[C@@H](F)CC ZINC001098966353 801922477 /nfs/dbraw/zinc/92/24/77/801922477.db2.gz LGVJSIDKMIVTKE-GJZGRUSLSA-N 1 1 298.446 3.308 20 30 CGEDMO C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H](C)CC ZINC001099038942 801926904 /nfs/dbraw/zinc/92/69/04/801926904.db2.gz QHKILJYIGMHSBF-HOTGVXAUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1(CC)CCC1 ZINC001099188004 801931581 /nfs/dbraw/zinc/93/15/81/801931581.db2.gz AYQDWGRPAXPODD-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)CC(=C)C ZINC001099189304 801932801 /nfs/dbraw/zinc/93/28/01/801932801.db2.gz QBOGCJULPKGKCA-HZPDHXFCSA-N 1 1 292.467 3.382 20 30 CGEDMO CCCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(C)=O)C1 ZINC001099372113 801936057 /nfs/dbraw/zinc/93/60/57/801936057.db2.gz KFTAZSTUWWPLJQ-XSLAGTTESA-N 1 1 292.467 3.146 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)C[C@H](C)C(C)C)C[C@]2(C)C1 ZINC001101170490 801973320 /nfs/dbraw/zinc/97/33/20/801973320.db2.gz IDHHPQLFEGEBKR-JZXOWHBKSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1C[N@@H+](CC/C=C/CCC)C[C@H]1C ZINC001101805389 801991476 /nfs/dbraw/zinc/99/14/76/801991476.db2.gz PYGMAYDKAXMZCJ-PIIXRYACSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H]1C[N@@H+](CCC(=C)C)C[C@H]1C ZINC001102326681 802003787 /nfs/dbraw/zinc/00/37/87/802003787.db2.gz YDKOCBSBCBQRNK-JFIYKMOQSA-N 1 1 292.467 3.239 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](CNC(=O)C(C)(C)C2CC2)[C@H](C)C1 ZINC001102264501 802005571 /nfs/dbraw/zinc/00/55/71/802005571.db2.gz MUSIXRMGLDNUOZ-HUUCEWRRSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@@H+](CC[C@@H](C)F)C[C@H]1C ZINC001102410141 802005839 /nfs/dbraw/zinc/00/58/39/802005839.db2.gz MDQNBILGIQYTMS-RBSFLKMASA-N 1 1 298.446 3.021 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2C[N@@H+](CCCC)C[C@H]2C)CCC1 ZINC001102331606 802006424 /nfs/dbraw/zinc/00/64/24/802006424.db2.gz JSJQXHSOKSQPDB-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)CC2CCCC2)[C@H](C)C1 ZINC001102425553 802007051 /nfs/dbraw/zinc/00/70/51/802007051.db2.gz AHFSBKNEGVPETP-BFYDXBDKSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)CC(CC)CC)[C@H](C)C1 ZINC001102483792 802009353 /nfs/dbraw/zinc/00/93/53/802009353.db2.gz GDVRZGNZIAOVTC-GDBMZVCRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(CC)CC)C1 ZINC001102681509 802018445 /nfs/dbraw/zinc/01/84/45/802018445.db2.gz QWTOZKXOEDGDEW-NVXWUHKLSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC2(C)C)C1 ZINC001102872601 802023205 /nfs/dbraw/zinc/02/32/05/802023205.db2.gz NUMATZPRXWBBLR-BZUAXINKSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)C2CCC2)C1 ZINC001103135677 802027533 /nfs/dbraw/zinc/02/75/33/802027533.db2.gz VSSJNSZZLYGDPA-BFYDXBDKSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(C)CCC2)C1 ZINC001103322166 802030913 /nfs/dbraw/zinc/03/09/13/802030913.db2.gz LRWCJRZHAMRNML-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)C(C)C)CCC[C@@H]12 ZINC001107566900 802090438 /nfs/dbraw/zinc/09/04/38/802090438.db2.gz DZZBKVLPUPAKEO-LZLYRXPVSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C=C(C)C)C2 ZINC001108898568 802103681 /nfs/dbraw/zinc/10/36/81/802103681.db2.gz UXWUJWCDHWYBJF-IKGGRYGDSA-N 1 1 290.451 3.421 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C=C(CC)CC)C2 ZINC001109151133 802109816 /nfs/dbraw/zinc/10/98/16/802109816.db2.gz SYJUQHDODJBOFO-IKGGRYGDSA-N 1 1 290.451 3.421 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC ZINC001109343303 802114774 /nfs/dbraw/zinc/11/47/74/802114774.db2.gz RZTYZWPWGMMYSN-ILXRZTDVSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1(C)CCCCC1)C2 ZINC001109509690 802116927 /nfs/dbraw/zinc/11/69/27/802116927.db2.gz PVESUQNMKLVDEA-PMPSAXMXSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC1(C)C)C2 ZINC001109620936 802119251 /nfs/dbraw/zinc/11/92/51/802119251.db2.gz UVXLQCVPRAXSDE-WCVJEAGWSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C\Cl ZINC001109634375 802120894 /nfs/dbraw/zinc/12/08/94/802120894.db2.gz KZLXVFZPINWFQY-DYCOKVBUSA-N 1 1 296.842 3.063 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C/C=C\Cl ZINC001109634375 802120899 /nfs/dbraw/zinc/12/08/99/802120899.db2.gz KZLXVFZPINWFQY-DYCOKVBUSA-N 1 1 296.842 3.063 20 30 CGEDMO CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCC ZINC001109624750 802121024 /nfs/dbraw/zinc/12/10/24/802121024.db2.gz AOTFBXRNMXBAMG-IKGGRYGDSA-N 1 1 290.451 3.092 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CCCC)CC1)C2 ZINC001109680468 802122683 /nfs/dbraw/zinc/12/26/83/802122683.db2.gz KWJPPJSTRZBIMK-PMPSAXMXSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](F)CC ZINC001109769780 802124755 /nfs/dbraw/zinc/12/47/55/802124755.db2.gz UKSZHHMHPZGKCJ-KBXIAJHMSA-N 1 1 296.430 3.058 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](F)CC ZINC001109769780 802124762 /nfs/dbraw/zinc/12/47/62/802124762.db2.gz UKSZHHMHPZGKCJ-KBXIAJHMSA-N 1 1 296.430 3.058 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCCCC)C2 ZINC001110057722 802129800 /nfs/dbraw/zinc/12/98/00/802129800.db2.gz HEBZBJUMTFBZRU-PMPSAXMXSA-N 1 1 278.440 3.254 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(CC)CC)C2 ZINC001110126483 802132295 /nfs/dbraw/zinc/13/22/95/802132295.db2.gz WKOJTLPNSOKZMY-ILXRZTDVSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1C=CCC1)C2 ZINC001110267056 802134952 /nfs/dbraw/zinc/13/49/52/802134952.db2.gz PTSBOROMLIVDTP-VQHPVUNQSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C)cc1 ZINC001110367666 802138449 /nfs/dbraw/zinc/13/84/49/802138449.db2.gz QINYTGLTIYIQQQ-KURKYZTESA-N 1 1 298.430 3.183 20 30 CGEDMO C=CC[C@@](C)([NH2+][C@@H](C)CCC=C(C)C)C(=O)OC ZINC001258085761 807298939 /nfs/dbraw/zinc/29/89/39/807298939.db2.gz MNRXNWBWUWNYLS-DZGCQCFKSA-N 1 1 253.386 3.219 20 30 CGEDMO C=CC1(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC)CCCCC1 ZINC001111135188 802154976 /nfs/dbraw/zinc/15/49/76/802154976.db2.gz FSPWWMNHYQHBFN-OAGGEKHMSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC(C)(C)C)C2 ZINC001111173816 802156566 /nfs/dbraw/zinc/15/65/66/802156566.db2.gz IDGLGFWFLVRZOF-KFWWJZLASA-N 1 1 278.440 3.110 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)CC(C)C)C2 ZINC001111248470 802158463 /nfs/dbraw/zinc/15/84/63/802158463.db2.gz BFYMNLFCCAOFIV-VQHPVUNQSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC)C1 ZINC001111568176 802163055 /nfs/dbraw/zinc/16/30/55/802163055.db2.gz OWXLGZNBBBAGCM-VYDXJSESSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(CC)CC)C2 ZINC001111650045 802164192 /nfs/dbraw/zinc/16/41/92/802164192.db2.gz BVVDZYSPCUCTKB-WMZOPIPTSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)CCC)C1 ZINC001111672851 802166392 /nfs/dbraw/zinc/16/63/92/802166392.db2.gz OQRRMNDTIVDVRS-RYRKJORJSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC(C)C ZINC001113848067 802235450 /nfs/dbraw/zinc/23/54/50/802235450.db2.gz YVCIXEYVPLOYHL-VQFNDLOPSA-N 1 1 294.483 3.439 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(C)(C)C ZINC001113878355 802235546 /nfs/dbraw/zinc/23/55/46/802235546.db2.gz JHRLIDAHUSLCNO-QLPKVWCKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CCCCCCC)C[C@H]21 ZINC001114353262 802241885 /nfs/dbraw/zinc/24/18/85/802241885.db2.gz OMUJNBSNSMYGGV-VQFNDLOPSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1(C)CC1 ZINC001114592805 802242512 /nfs/dbraw/zinc/24/25/12/802242512.db2.gz LHCMHSZWYVDGKS-QLPKVWCKSA-N 1 1 292.467 3.193 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3ccccc3)C[C@H]21 ZINC001114760285 802244382 /nfs/dbraw/zinc/24/43/82/802244382.db2.gz XWEUVSMSBBWSCI-NWGLXNPWSA-N 1 1 298.430 3.150 20 30 CGEDMO Cc1ccc(N=NC2CC[N@H+]3CCC[C@@H]23)cc1Cl ZINC001116422284 802345899 /nfs/dbraw/zinc/34/58/99/802345899.db2.gz QTCNAGFIQMEPPG-AWEZNQCLSA-N 1 1 263.772 3.284 20 30 CGEDMO CCC[N@@H+](Cc1cc(C)n[nH]1)Cc1ccc(C#N)cc1 ZINC001116441209 802348597 /nfs/dbraw/zinc/34/85/97/802348597.db2.gz OMTGPFJQYNLLGG-UHFFFAOYSA-N 1 1 268.364 3.002 20 30 CGEDMO C[C@@H](CCCC#N)[N@@H+](C)Cc1cnc(Cl)s1 ZINC001172491008 808350930 /nfs/dbraw/zinc/35/09/30/808350930.db2.gz BNGLQDJUADKQOU-VIFPVBQESA-N 1 1 257.790 3.311 20 30 CGEDMO C[C@@H](CO)[N@@H+](CCCCC1(C#N)CCC1)C1CCCC1 ZINC001119837890 802702914 /nfs/dbraw/zinc/70/29/14/802702914.db2.gz OFUAODAVCZZZPP-HNNXBMFYSA-N 1 1 278.440 3.476 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CC(=C)C)C1 ZINC001120348149 802740232 /nfs/dbraw/zinc/74/02/32/802740232.db2.gz QLGWRYJUMDKNKE-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001120348248 802740748 /nfs/dbraw/zinc/74/07/48/802740748.db2.gz SBVLCOVMGWKMQC-SJORKVTESA-N 1 1 292.467 3.312 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC001120596805 802751551 /nfs/dbraw/zinc/75/15/51/802751551.db2.gz ZMTRNJGYHAQSEW-LBPRGKRZSA-N 1 1 297.280 3.118 20 30 CGEDMO N#C[C@@H](N[C@@H]1CCC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC001256898439 807002870 /nfs/dbraw/zinc/00/28/70/807002870.db2.gz ZWQZRTDDORGXRG-SJLPKXTDSA-N 1 1 283.419 3.248 20 30 CGEDMO C=CCCCC[N@@H+](C)CC1(CN(C)C)CCCC1 ZINC001208186917 813735828 /nfs/dbraw/zinc/73/58/28/813735828.db2.gz AOWQVYHIFULABG-UHFFFAOYSA-N 1 1 252.446 3.397 20 30 CGEDMO C=CCCCC[N@H+](C)CC1(CN(C)C)CCCC1 ZINC001208186917 813735831 /nfs/dbraw/zinc/73/58/31/813735831.db2.gz AOWQVYHIFULABG-UHFFFAOYSA-N 1 1 252.446 3.397 20 30 CGEDMO Cc1[nH+]ccn1-c1cncc(-c2ccc(C#N)cc2Cl)n1 ZINC001244327817 803306071 /nfs/dbraw/zinc/30/60/71/803306071.db2.gz RLCNALYGFJYITD-UHFFFAOYSA-N 1 1 295.733 3.163 20 30 CGEDMO C=CCC[N@H+]1C[C@H](NC(=O)CCCCC)CC[C@@H]1C ZINC001131816111 803347814 /nfs/dbraw/zinc/34/78/14/803347814.db2.gz CGJHJWWEPXUISZ-LSDHHAIUSA-N 1 1 266.429 3.112 20 30 CGEDMO C=CCCC[N@H+]1C[C@H](NC(=O)/C(C)=C\CC)CC[C@@H]1C ZINC001131871727 803354360 /nfs/dbraw/zinc/35/43/60/803354360.db2.gz WOMIYZHKVVRKBD-KCKALFRLSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCCCC)C1 ZINC001131895122 803355273 /nfs/dbraw/zinc/35/52/73/803355273.db2.gz FWUHKVUAJFNNGV-LSDHHAIUSA-N 1 1 266.429 3.112 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@H](NC(=O)/C=C\C(C)(C)C)CC[C@@H]1C ZINC001131911796 803356912 /nfs/dbraw/zinc/35/69/12/803356912.db2.gz NSCUCHARHBRTEB-WFNIXHHISA-N 1 1 298.858 3.310 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)/C=C\C(C)(C)C)CC[C@@H]1C ZINC001131911796 803356916 /nfs/dbraw/zinc/35/69/16/803356916.db2.gz NSCUCHARHBRTEB-WFNIXHHISA-N 1 1 298.858 3.310 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)CCC2CC2)CC[C@H]1C ZINC001131923929 803357683 /nfs/dbraw/zinc/35/76/83/803357683.db2.gz WTGGBYNZRLTYKU-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)C2=CCCC2)CC[C@H]1C ZINC001131949509 803361308 /nfs/dbraw/zinc/36/13/08/803361308.db2.gz DLDJTNVHNSAWDH-GDBMZVCRSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)C(F)=C(C)C)CC[C@H]1C ZINC001131967583 803362804 /nfs/dbraw/zinc/36/28/04/803362804.db2.gz GHBYHVKAHBVKII-ZIAGYGMSSA-N 1 1 282.403 3.185 20 30 CGEDMO C#CCCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC=C(C)C)C1 ZINC001131976438 803363047 /nfs/dbraw/zinc/36/30/47/803363047.db2.gz KMLJIBOJAIIKKT-IRXDYDNUSA-N 1 1 290.451 3.115 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)CC2(C)CCCC2)CC[C@@H]1C ZINC001132014359 803366670 /nfs/dbraw/zinc/36/66/70/803366670.db2.gz VCTWEILPOOHERL-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](CCCF)C1 ZINC001132057024 803369125 /nfs/dbraw/zinc/36/91/25/803369125.db2.gz IXLFUYXAYXDKFF-ZBFHGGJFSA-N 1 1 296.430 3.084 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](CCC)C1 ZINC001132057599 803369645 /nfs/dbraw/zinc/36/96/45/803369645.db2.gz RPMAQCAOZRJORV-HOCLYGCPSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(C)C)C1 ZINC001132057604 803369837 /nfs/dbraw/zinc/36/98/37/803369837.db2.gz RQKWXAZISISTIH-WBVHZDCISA-N 1 1 292.467 3.380 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC2CCC2)C1 ZINC001132071672 803371196 /nfs/dbraw/zinc/37/11/96/803371196.db2.gz DCLJQZLTLSHBDF-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC2CCC2)C1 ZINC001132071671 803371876 /nfs/dbraw/zinc/37/18/76/803371876.db2.gz DCLJQZLTLSHBDF-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC2CCC2)C1 ZINC001132060734 803372140 /nfs/dbraw/zinc/37/21/40/803372140.db2.gz KKPMQLQBAZMSMS-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CCCCCF)C1 ZINC001132228046 803384470 /nfs/dbraw/zinc/38/44/70/803384470.db2.gz LLNQNVCLYWREBM-LSDHHAIUSA-N 1 1 298.446 3.308 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)C2(C(C)C)CC2)CC[C@H]1C ZINC001132283040 803391461 /nfs/dbraw/zinc/39/14/61/803391461.db2.gz QJCIGFBMPQMARO-CVEARBPZSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)C2(CC)CCCC2)CC[C@@H]1C ZINC001132397825 803400710 /nfs/dbraw/zinc/40/07/10/803400710.db2.gz WWTMOYMHCKCXMH-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2c[nH]c3cccc(F)c23)CC1 ZINC001136985763 803668150 /nfs/dbraw/zinc/66/81/50/803668150.db2.gz UTHQYTTXFBPOKI-LBPRGKRZSA-N 1 1 271.339 3.433 20 30 CGEDMO C[C@]1(F)CCCC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC001137115295 803685420 /nfs/dbraw/zinc/68/54/20/803685420.db2.gz HOKVYYPHEHRMSG-INIZCTEOSA-N 1 1 276.355 3.303 20 30 CGEDMO Cc1cccc2c(C[N@H+](C)Cc3ccc(C#N)cc3)[nH]nc21 ZINC001137146786 803688590 /nfs/dbraw/zinc/68/85/90/803688590.db2.gz WYMDMGFEMKMQKI-UHFFFAOYSA-N 1 1 290.370 3.375 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c(C#N)c1 ZINC001137704399 803760345 /nfs/dbraw/zinc/76/03/45/803760345.db2.gz DPZPNEYKCVAIGM-GUYCJALGSA-N 1 1 270.376 3.331 20 30 CGEDMO CC[N@@H+](Cc1ccccc1O)Cc1ccc(OC)cc1C#N ZINC001137705863 803762037 /nfs/dbraw/zinc/76/20/37/803762037.db2.gz DMZQKKAZDGDCFI-UHFFFAOYSA-N 1 1 296.370 3.295 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cccc(-c3cncnc3)c2)C1 ZINC001137769030 803770139 /nfs/dbraw/zinc/77/01/39/803770139.db2.gz LOYYSJSSIBKXIH-HNNXBMFYSA-N 1 1 292.386 3.269 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)o2)CC1 ZINC001138177123 803873418 /nfs/dbraw/zinc/87/34/18/803873418.db2.gz HKCLBJWJXPLAFN-OAHLLOKOSA-N 1 1 287.407 3.396 20 30 CGEDMO C=CC[N@H+](Cc1cc(O)cc(O)c1)C1CCCCC1 ZINC001138332994 803897278 /nfs/dbraw/zinc/89/72/78/803897278.db2.gz ONZZQFOXEHFIDF-UHFFFAOYSA-N 1 1 261.365 3.419 20 30 CGEDMO CCc1cccc2c(C[N@@H+]3CC[C@](C)(C#N)C3)c[nH]c21 ZINC001138363145 803903719 /nfs/dbraw/zinc/90/37/19/803903719.db2.gz GFSFIWHXGINZBN-QGZVFWFLSA-N 1 1 267.376 3.466 20 30 CGEDMO CCc1cccc2c(C[N@H+]3CC[C@](C)(C#N)C3)c[nH]c21 ZINC001138363145 803903727 /nfs/dbraw/zinc/90/37/27/803903727.db2.gz GFSFIWHXGINZBN-QGZVFWFLSA-N 1 1 267.376 3.466 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(OCC)cc2C)C1 ZINC001138435773 803934485 /nfs/dbraw/zinc/93/44/85/803934485.db2.gz MWOLZDCAJFZIJM-HNNXBMFYSA-N 1 1 257.377 3.239 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)c1O ZINC001138625258 803981953 /nfs/dbraw/zinc/98/19/53/803981953.db2.gz IWYIWHPCLQBMEH-IRXDYDNUSA-N 1 1 299.414 3.454 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2CCC[C@](C)(F)C2)c1O ZINC001138625491 803983004 /nfs/dbraw/zinc/98/30/04/803983004.db2.gz MLVXZSLHOFOMGD-INIZCTEOSA-N 1 1 263.356 3.445 20 30 CGEDMO C=CCc1cccc(C[N@H+](C)C2CC(F)(F)C2)c1O ZINC001138625185 803983797 /nfs/dbraw/zinc/98/37/97/803983797.db2.gz GKUHNVOLOYHLQH-UHFFFAOYSA-N 1 1 267.319 3.350 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1CC[C@@H](C)[C@@](C)(O)C1 ZINC001138661533 803994469 /nfs/dbraw/zinc/99/44/69/803994469.db2.gz BKEOJSIUGFHYCX-QAPCUYQASA-N 1 1 289.419 3.234 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CC[C@H]2OCC[C@H]21 ZINC001138661893 803994971 /nfs/dbraw/zinc/99/49/71/803994971.db2.gz IJGCYULDTYAWOE-NVXWUHKLSA-N 1 1 273.376 3.005 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CCCO[C@H](C)C1 ZINC001138663296 803996983 /nfs/dbraw/zinc/99/69/83/803996983.db2.gz RQCNMYUZEHQOEW-OAHLLOKOSA-N 1 1 275.392 3.252 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CCC[C@@H]1C(C)(C)O ZINC001138665310 803997135 /nfs/dbraw/zinc/99/71/35/803997135.db2.gz MFOUFNGDCQIRCP-QGZVFWFLSA-N 1 1 289.419 3.377 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1C[C@@H]2CCCC(=O)[C@@H]2C1 ZINC001138667425 803999124 /nfs/dbraw/zinc/99/91/24/803999124.db2.gz XCKLTLABFMEVHL-DOTOQJQBSA-N 1 1 299.414 3.443 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1cnc2ccccc2n1 ZINC001138867530 804060758 /nfs/dbraw/zinc/06/07/58/804060758.db2.gz LGLMCMHDBOYJKR-UHFFFAOYSA-N 1 1 288.354 3.133 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cnc2ccccc2n1 ZINC001138867530 804060767 /nfs/dbraw/zinc/06/07/67/804060767.db2.gz LGLMCMHDBOYJKR-UHFFFAOYSA-N 1 1 288.354 3.133 20 30 CGEDMO C=CC[NH+]1CCN(Cc2cccc(OCCCC)c2)CC1 ZINC001138953677 804083291 /nfs/dbraw/zinc/08/32/91/804083291.db2.gz FXLWZYCCQGXHID-UHFFFAOYSA-N 1 1 288.435 3.169 20 30 CGEDMO C=CCN1CC[NH+](Cc2cccc(OCCCC)c2)CC1 ZINC001138953677 804083301 /nfs/dbraw/zinc/08/33/01/804083301.db2.gz FXLWZYCCQGXHID-UHFFFAOYSA-N 1 1 288.435 3.169 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+]1C[C@@H](C)CC[C@H]1CN ZINC001246019432 804100172 /nfs/dbraw/zinc/10/01/72/804100172.db2.gz HIAFDHKJWFFKSY-ULQDDVLXSA-N 1 1 284.488 3.157 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1C[C@@H](C)CC[C@H]1CN ZINC001246019432 804100178 /nfs/dbraw/zinc/10/01/78/804100178.db2.gz HIAFDHKJWFFKSY-ULQDDVLXSA-N 1 1 284.488 3.157 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1C[C@@H]2C(=O)CCC[C@@H]2C1 ZINC001139030240 804114132 /nfs/dbraw/zinc/11/41/32/804114132.db2.gz BAZDBMJDOMWEES-ZBFHGGJFSA-N 1 1 285.387 3.052 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc3cccnc3c2)C1 ZINC001139167897 804147820 /nfs/dbraw/zinc/14/78/20/804147820.db2.gz FQQMJTFTEMRDDM-CQSZACIVSA-N 1 1 250.345 3.080 20 30 CGEDMO Cc1cccc2[nH]cc(C[N@@H+]3CC[C@@](C)(C#N)C3)c21 ZINC001139199002 804159942 /nfs/dbraw/zinc/15/99/42/804159942.db2.gz MTVRREBOAQFIEQ-INIZCTEOSA-N 1 1 253.349 3.212 20 30 CGEDMO Cc1cccc2[nH]cc(C[N@H+]3CC[C@@](C)(C#N)C3)c21 ZINC001139199002 804159944 /nfs/dbraw/zinc/15/99/44/804159944.db2.gz MTVRREBOAQFIEQ-INIZCTEOSA-N 1 1 253.349 3.212 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)cc1F ZINC001139527153 804201415 /nfs/dbraw/zinc/20/14/15/804201415.db2.gz YYWZKYGVNYPHEB-HIFRSBDPSA-N 1 1 258.340 3.319 20 30 CGEDMO C[C@@]1(F)CCCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC001139646786 804243380 /nfs/dbraw/zinc/24/33/80/804243380.db2.gz LZSBTIZRPIBOAQ-OAHLLOKOSA-N 1 1 264.319 3.411 20 30 CGEDMO C[C@@]1(F)CCCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC001139646786 804243386 /nfs/dbraw/zinc/24/33/86/804243386.db2.gz LZSBTIZRPIBOAQ-OAHLLOKOSA-N 1 1 264.319 3.411 20 30 CGEDMO C#CC1CC[NH+](Cc2cccc(Cl)c2C#N)CC1 ZINC001139693477 804256701 /nfs/dbraw/zinc/25/67/01/804256701.db2.gz HWEYGZAUUHEGNK-UHFFFAOYSA-N 1 1 258.752 3.057 20 30 CGEDMO CC1(C)CCC[N@H+]1Cc1c[nH]c2c1cccc2C#N ZINC001139701135 804258743 /nfs/dbraw/zinc/25/87/43/804258743.db2.gz BJYQXLVFAXSOSM-UHFFFAOYSA-N 1 1 253.349 3.414 20 30 CGEDMO Cc1cc(O)cc(C)c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001139714460 804262425 /nfs/dbraw/zinc/26/24/25/804262425.db2.gz BKLSAMMKTQJYTE-AWEZNQCLSA-N 1 1 258.365 3.135 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCc3occc3C2)cc1C#N ZINC001139725802 804267792 /nfs/dbraw/zinc/26/77/92/804267792.db2.gz CXRZEKQOOSCATB-UHFFFAOYSA-N 1 1 252.317 3.018 20 30 CGEDMO Cc1ccc(C[N@H+]2CCc3occc3C2)cc1C#N ZINC001139725802 804267796 /nfs/dbraw/zinc/26/77/96/804267796.db2.gz CXRZEKQOOSCATB-UHFFFAOYSA-N 1 1 252.317 3.018 20 30 CGEDMO C=CCn1cc(C[N@@H+]2CCC[C@@H]2c2cccc(OC)c2)cn1 ZINC001139772380 804277853 /nfs/dbraw/zinc/27/78/53/804277853.db2.gz HKUDWHPVMXTGBO-GOSISDBHSA-N 1 1 297.402 3.415 20 30 CGEDMO C=CCn1cc(C[N@H+]2CCc3ccccc3[C@@H]2C)cn1 ZINC001139766959 804278896 /nfs/dbraw/zinc/27/88/96/804278896.db2.gz ZVXDONXLDLQSIX-AWEZNQCLSA-N 1 1 267.376 3.188 20 30 CGEDMO C#CC1(N[C@@H]2CC[NH2+][C@H](C(C)(C)C)C2)CCCCC1 ZINC001246460933 804342804 /nfs/dbraw/zinc/34/28/04/804342804.db2.gz AWRLQHPUVWQYJT-CABCVRRESA-N 1 1 262.441 3.079 20 30 CGEDMO C#CC1(N[C@@H]2C[C@@H](CC)[NH2+][C@@H](CC)C2)CCCCC1 ZINC001246464937 804345227 /nfs/dbraw/zinc/34/52/27/804345227.db2.gz UZSGEIVANLLOBS-MUJYYYPQSA-N 1 1 262.441 3.221 20 30 CGEDMO CCCCCCC[C@H](CC)[NH2+][C@@H]1CNCC[C@H]1F ZINC001246488295 804357575 /nfs/dbraw/zinc/35/75/75/804357575.db2.gz JSFYVCTWNMLBAB-RRFJBIMHSA-N 1 1 258.425 3.415 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3cccc4cnccc43)CC[C@@H]2S1 ZINC001140140832 804387451 /nfs/dbraw/zinc/38/74/51/804387451.db2.gz HBLXGBGSXROURH-INIZCTEOSA-N 1 1 296.395 3.009 20 30 CGEDMO O=C1C=C2C[N@@H+](Cc3cccc4cnccc43)CCC2S1 ZINC001140140832 804387458 /nfs/dbraw/zinc/38/74/58/804387458.db2.gz HBLXGBGSXROURH-INIZCTEOSA-N 1 1 296.395 3.009 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3cccc4cnccc43)CCC2S1 ZINC001140140832 804387467 /nfs/dbraw/zinc/38/74/67/804387467.db2.gz HBLXGBGSXROURH-INIZCTEOSA-N 1 1 296.395 3.009 20 30 CGEDMO Cc1ccc(C)c(C[N@H+]2CCC[C@@H](CC#N)C2)c1O ZINC001140182098 804395853 /nfs/dbraw/zinc/39/58/53/804395853.db2.gz IVINDBPYANNLIP-AWEZNQCLSA-N 1 1 258.365 3.135 20 30 CGEDMO N#Cc1ccc(C2CC[NH+](Cc3ccncc3O)CC2)cc1 ZINC001140280522 804406603 /nfs/dbraw/zinc/40/66/03/804406603.db2.gz IOMMISOCYAQKDL-UHFFFAOYSA-N 1 1 293.370 3.038 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC001140382593 804426993 /nfs/dbraw/zinc/42/69/93/804426993.db2.gz VBVDBUDPGNRHRP-GOSISDBHSA-N 1 1 277.371 3.484 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC001140382593 804426996 /nfs/dbraw/zinc/42/69/96/804426996.db2.gz VBVDBUDPGNRHRP-GOSISDBHSA-N 1 1 277.371 3.484 20 30 CGEDMO CCCCCCC[C@H](CC(C)C)[N@H+]1CCNC[C@H](O)C1 ZINC001246601808 804438951 /nfs/dbraw/zinc/43/89/51/804438951.db2.gz NLMYWYLTVKLMBI-SJORKVTESA-N 1 1 284.488 3.028 20 30 CGEDMO CCCCCCCC[C@@H](CCC)[N@H+]1CCNC[C@@H](O)C1 ZINC001246602763 804440597 /nfs/dbraw/zinc/44/05/97/804440597.db2.gz PLKYFEZULPOXJW-IAGOWNOFSA-N 1 1 284.488 3.172 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CC[C@@]4(C3)CCCCN4)C[C@H](C1)C2 ZINC001246619239 804454162 /nfs/dbraw/zinc/45/41/62/804454162.db2.gz IDSPJROCKOUXMG-UJJTZGENSA-N 1 1 274.452 3.339 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CC[C@@]4(C3)CCCCN4)C[C@H](C1)C2 ZINC001246619239 804454164 /nfs/dbraw/zinc/45/41/64/804454164.db2.gz IDSPJROCKOUXMG-UJJTZGENSA-N 1 1 274.452 3.339 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)cn1 ZINC001140543612 804457626 /nfs/dbraw/zinc/45/76/26/804457626.db2.gz CSUNHLIBKAKSTH-ZBFHGGJFSA-N 1 1 255.365 3.108 20 30 CGEDMO CC[N@@H+](Cc1cccs1)Cc1ccc(C#N)nc1 ZINC001140546184 804458527 /nfs/dbraw/zinc/45/85/27/804458527.db2.gz XNMZEEYEJMNONM-UHFFFAOYSA-N 1 1 257.362 3.037 20 30 CGEDMO CC1(C)C[N@H+](Cc2ccc(C#N)nc2)Cc2ccccc21 ZINC001140545844 804458743 /nfs/dbraw/zinc/45/87/43/804458743.db2.gz MXSVFZGIIXGDAC-UHFFFAOYSA-N 1 1 277.371 3.247 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)nc2)Cc2ccccc21 ZINC001140545844 804458746 /nfs/dbraw/zinc/45/87/46/804458746.db2.gz MXSVFZGIIXGDAC-UHFFFAOYSA-N 1 1 277.371 3.247 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)cn1 ZINC001140544541 804458833 /nfs/dbraw/zinc/45/88/33/804458833.db2.gz SQYJJMDTSHWBGQ-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)cn1 ZINC001140544541 804458836 /nfs/dbraw/zinc/45/88/36/804458836.db2.gz SQYJJMDTSHWBGQ-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3cccc4ccncc43)CC[C@H]2S1 ZINC001140641253 804481526 /nfs/dbraw/zinc/48/15/26/804481526.db2.gz FCHDVXKGRHVNGJ-MRXNPFEDSA-N 1 1 296.395 3.009 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3cccc4ccncc43)CCC2S1 ZINC001140641253 804481532 /nfs/dbraw/zinc/48/15/32/804481532.db2.gz FCHDVXKGRHVNGJ-MRXNPFEDSA-N 1 1 296.395 3.009 20 30 CGEDMO CC(C)[C@@H]1CCC[N@H+]1Cc1cc(F)c(C#N)c(F)c1 ZINC001140756957 804505838 /nfs/dbraw/zinc/50/58/38/804505838.db2.gz VRQDAIUOTVILMW-HNNXBMFYSA-N 1 1 264.319 3.457 20 30 CGEDMO N#Cc1cccc(C[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)c1Cl ZINC001140808310 804525798 /nfs/dbraw/zinc/52/57/98/804525798.db2.gz QHWCMJNNOSTAEE-NEPJUHHUSA-N 1 1 282.721 3.299 20 30 CGEDMO C[C@@H]1C[N@@H+](C2CCC(c3ccc(C#N)cc3)CC2)C[C@H](C)N1 ZINC001246824325 804536682 /nfs/dbraw/zinc/53/66/82/804536682.db2.gz MOTHGOKMXXOMIP-MYMYQCDVSA-N 1 1 297.446 3.267 20 30 CGEDMO C[C@@H]1CN(C2CCC(c3ccc(C#N)cc3)CC2)C[C@H](C)[NH2+]1 ZINC001246824325 804536687 /nfs/dbraw/zinc/53/66/87/804536687.db2.gz MOTHGOKMXXOMIP-MYMYQCDVSA-N 1 1 297.446 3.267 20 30 CGEDMO C=CCCCC[N@@H+](C)Cc1ccc(O)c(F)c1F ZINC001140892114 804543639 /nfs/dbraw/zinc/54/36/39/804543639.db2.gz AMVNHGRTYBCQSF-UHFFFAOYSA-N 1 1 255.308 3.459 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccc(O)c(F)c1F ZINC001140892114 804543642 /nfs/dbraw/zinc/54/36/42/804543642.db2.gz AMVNHGRTYBCQSF-UHFFFAOYSA-N 1 1 255.308 3.459 20 30 CGEDMO N#CC1CCC([NH+]2CCN(C3CCCCC3)CC2)CC1 ZINC001256965171 807018850 /nfs/dbraw/zinc/01/88/50/807018850.db2.gz LQSWWNAHBTYUEM-UHFFFAOYSA-N 1 1 275.440 3.019 20 30 CGEDMO COc1cccc2c1C[N@H+](C1CCC(C#N)CC1)CC2 ZINC001256965356 807019355 /nfs/dbraw/zinc/01/93/55/807019355.db2.gz RYOGBZFQRMNUNL-UHFFFAOYSA-N 1 1 270.376 3.136 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2ccc3cccc(O)c3n2)C1 ZINC001141021664 804573654 /nfs/dbraw/zinc/57/36/54/804573654.db2.gz IZRMIVGHTFVSRK-CYBMUJFWSA-N 1 1 281.359 3.066 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2sc(N)c(C#N)c2Cl)[C@H]1C ZINC001141112219 804592055 /nfs/dbraw/zinc/59/20/55/804592055.db2.gz UJNYZJOOXWAHCG-IUCAKERBSA-N 1 1 283.828 3.476 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccc(C(F)(F)F)nn1 ZINC001141500863 804648321 /nfs/dbraw/zinc/64/83/21/804648321.db2.gz QWOZYOLHSSIWLX-UHFFFAOYSA-N 1 1 273.302 3.284 20 30 CGEDMO C#CC[NH+](CC#C)Cc1ccc(OC)c(OC2CCCC2)c1 ZINC001141523572 804649674 /nfs/dbraw/zinc/64/96/74/804649674.db2.gz WYFRPGGRSZAPKZ-UHFFFAOYSA-N 1 1 297.398 3.085 20 30 CGEDMO CC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(SC)n2)C1 ZINC001141941749 804680967 /nfs/dbraw/zinc/68/09/67/804680967.db2.gz WFUOQWKONJTBSQ-GFCCVEGCSA-N 1 1 275.421 3.297 20 30 CGEDMO C[C@]1(F)CCC[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)C1 ZINC001142912265 804783078 /nfs/dbraw/zinc/78/30/78/804783078.db2.gz ZVEVJRIEHFGNPM-INIZCTEOSA-N 1 1 271.339 3.364 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cccc(CC)c2)no1 ZINC001247622317 804783227 /nfs/dbraw/zinc/78/32/27/804783227.db2.gz JCTJPIWBHRTEHW-CYBMUJFWSA-N 1 1 257.337 3.265 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2ccc3ncsc3c2)no1 ZINC001247623114 804784216 /nfs/dbraw/zinc/78/42/16/804784216.db2.gz XVZRWBSVWMVXEU-JTQLQIEISA-N 1 1 286.360 3.312 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1c[nH]c2cc(C#N)ccc12 ZINC001142921467 804784568 /nfs/dbraw/zinc/78/45/68/804784568.db2.gz OAKPSEFBSORHTK-UHFFFAOYSA-N 1 1 266.348 3.165 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1c[nH]c2cc(C#N)ccc12 ZINC001142921467 804784575 /nfs/dbraw/zinc/78/45/75/804784575.db2.gz OAKPSEFBSORHTK-UHFFFAOYSA-N 1 1 266.348 3.165 20 30 CGEDMO CCC[N@H+](CCCN(C)C)Cc1c[nH]c2cc(C#N)ccc12 ZINC001142926479 804784956 /nfs/dbraw/zinc/78/49/56/804784956.db2.gz RCMKCEGVGGABDS-UHFFFAOYSA-N 1 1 298.434 3.203 20 30 CGEDMO CCC[N@@H+](CCCN(C)C)Cc1c[nH]c2cc(C#N)ccc12 ZINC001142926479 804784958 /nfs/dbraw/zinc/78/49/58/804784958.db2.gz RCMKCEGVGGABDS-UHFFFAOYSA-N 1 1 298.434 3.203 20 30 CGEDMO COCC[C@H]1CCCC[N@H+]1Cc1c[nH]c2cc(C#N)ccc12 ZINC001142921700 804784989 /nfs/dbraw/zinc/78/49/89/804784989.db2.gz SWLJVUHELLKYEL-MRXNPFEDSA-N 1 1 297.402 3.431 20 30 CGEDMO C[C@H](Cc1ccccc1Br)[NH+]1CC(CC#N)C1 ZINC001256837198 806989945 /nfs/dbraw/zinc/98/99/45/806989945.db2.gz BNLIVCRFVYUSQB-LLVKDONJSA-N 1 1 293.208 3.226 20 30 CGEDMO C[N@H+]1CCC[C@H](CCNc2ccc3c(ccnc3C#N)c2)C1 ZINC001165301111 806990305 /nfs/dbraw/zinc/99/03/05/806990305.db2.gz XIXSOZKLBYKYCA-CQSZACIVSA-N 1 1 294.402 3.250 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1F ZINC001143165262 804813939 /nfs/dbraw/zinc/81/39/39/804813939.db2.gz XIEHVNVFAPXZJI-BETUJISGSA-N 1 1 276.330 3.458 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1scc2c1OCCO2 ZINC001143190214 804817817 /nfs/dbraw/zinc/81/78/17/804817817.db2.gz HZRKVTCIJTZOAO-UHFFFAOYSA-N 1 1 267.394 3.307 20 30 CGEDMO CC(C)CC[C@@H]([NH3+])c1nc(-c2cc(F)cc(C#N)c2)no1 ZINC001247849353 804846577 /nfs/dbraw/zinc/84/65/77/804846577.db2.gz GVICQXIPFFWUTM-CYBMUJFWSA-N 1 1 288.326 3.183 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2ccc(F)c(C)c2Cl)no1 ZINC001247968159 804858612 /nfs/dbraw/zinc/85/86/12/804858612.db2.gz UQWWLDWEXBKGGC-JTQLQIEISA-N 1 1 281.718 3.413 20 30 CGEDMO CO[C@H]1CCC[N@H+](Cc2c(Cl)cccc2C#N)CC1 ZINC001143726085 804887503 /nfs/dbraw/zinc/88/75/03/804887503.db2.gz FLLQSGHGHCJBJL-ZDUSSCGKSA-N 1 1 278.783 3.213 20 30 CGEDMO CO[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2C#N)CC1 ZINC001143726085 804887511 /nfs/dbraw/zinc/88/75/11/804887511.db2.gz FLLQSGHGHCJBJL-ZDUSSCGKSA-N 1 1 278.783 3.213 20 30 CGEDMO CO[C@@H]1CC[N@H+](Cc2c(Cl)cccc2C#N)[C@@H](C)C1 ZINC001143734392 804889925 /nfs/dbraw/zinc/88/99/25/804889925.db2.gz MLYFJDDSYLTNNV-WCQYABFASA-N 1 1 278.783 3.211 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2C#N)[C@@H](C)C1 ZINC001143734392 804889930 /nfs/dbraw/zinc/88/99/30/804889930.db2.gz MLYFJDDSYLTNNV-WCQYABFASA-N 1 1 278.783 3.211 20 30 CGEDMO C#CC1CC[NH+](Cc2cc(F)c(OC)c(Cl)c2)CC1 ZINC001143853848 804900437 /nfs/dbraw/zinc/90/04/37/804900437.db2.gz IVRIWWGBGIWASU-UHFFFAOYSA-N 1 1 281.758 3.333 20 30 CGEDMO C=CC[NH+]1CCN(Cc2cccc(C(F)(F)F)c2C)CC1 ZINC001143924935 804908413 /nfs/dbraw/zinc/90/84/13/804908413.db2.gz SRSCALISMDMXPD-UHFFFAOYSA-N 1 1 298.352 3.317 20 30 CGEDMO CCOc1c(F)cc(C[NH+]2CCC(CC#N)CC2)cc1F ZINC001144027805 804928383 /nfs/dbraw/zinc/92/83/83/804928383.db2.gz WODMCPYEAWYYMY-UHFFFAOYSA-N 1 1 294.345 3.489 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC001144061581 804931871 /nfs/dbraw/zinc/93/18/71/804931871.db2.gz NIBAZPMWZPVERF-INIZCTEOSA-N 1 1 286.419 3.104 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC001144061581 804931878 /nfs/dbraw/zinc/93/18/78/804931878.db2.gz NIBAZPMWZPVERF-INIZCTEOSA-N 1 1 286.419 3.104 20 30 CGEDMO N#Cc1cncc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC001144083940 804934996 /nfs/dbraw/zinc/93/49/96/804934996.db2.gz ZNXACBIUKNITSU-INIZCTEOSA-N 1 1 281.334 3.082 20 30 CGEDMO CC[N@@H+](CCc1ccc(OC)cc1)Cc1ccc(C#N)cn1 ZINC001144166708 804947491 /nfs/dbraw/zinc/94/74/91/804947491.db2.gz RWTWIVYFWJIBKF-UHFFFAOYSA-N 1 1 295.386 3.026 20 30 CGEDMO Cc1cccc(Br)c1C[NH+]1CCC(C#N)CC1 ZINC001248598875 804960325 /nfs/dbraw/zinc/96/03/25/804960325.db2.gz GCPCGSHTMNGMJX-UHFFFAOYSA-N 1 1 293.208 3.493 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001248748339 804982502 /nfs/dbraw/zinc/98/25/02/804982502.db2.gz GMKLWGSMMYUKCG-IYBDPMFKSA-N 1 1 254.377 3.353 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CC(C)(C)C[C@]1(C)CO ZINC001248748381 804982945 /nfs/dbraw/zinc/98/29/45/804982945.db2.gz HRTVGJLXRUIUJM-GOSISDBHSA-N 1 1 286.419 3.104 20 30 CGEDMO CCc1cc(C#N)ccc1CN1CC[C@H]([N@@H+](C)C(C)C)C1 ZINC001248752325 804983811 /nfs/dbraw/zinc/98/38/11/804983811.db2.gz HRFUOUKNFBDKSA-SFHVURJKSA-N 1 1 285.435 3.035 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@@H+](C)Cc1ccc(C)nc1 ZINC001248752492 804983823 /nfs/dbraw/zinc/98/38/23/804983823.db2.gz NJPMPSPDTHZAGK-UHFFFAOYSA-N 1 1 279.387 3.456 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCCOC(C)(C)C1 ZINC001248751666 804984327 /nfs/dbraw/zinc/98/43/27/804984327.db2.gz FRUHRIOVWSWBAE-UHFFFAOYSA-N 1 1 272.392 3.122 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CC[C@@H](OC)C[C@@H]1C ZINC001248753206 804985538 /nfs/dbraw/zinc/98/55/38/804985538.db2.gz WXVAMCWSPXEZFS-SUMWQHHRSA-N 1 1 272.392 3.120 20 30 CGEDMO Cc1cc(C[N@@H+]2CCC[C@H](C#N)CC2)c(Cl)nc1C ZINC001249027846 805076224 /nfs/dbraw/zinc/07/62/24/805076224.db2.gz FMHVFLRBUGLCBQ-ZDUSSCGKSA-N 1 1 277.799 3.478 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@H](C#N)CC2)c(Cl)nc1C ZINC001249027846 805076231 /nfs/dbraw/zinc/07/62/31/805076231.db2.gz FMHVFLRBUGLCBQ-ZDUSSCGKSA-N 1 1 277.799 3.478 20 30 CGEDMO N#Cc1ccn2ncc(C[N@H+]3CCC4(C3)CCCCC4)c2c1 ZINC001249125060 805094520 /nfs/dbraw/zinc/09/45/20/805094520.db2.gz LWBDJLKUFLRKFB-UHFFFAOYSA-N 1 1 294.402 3.362 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@H](C)CCC)C2)C1 ZINC001147269172 805119428 /nfs/dbraw/zinc/11/94/28/805119428.db2.gz YWBHYUMBXIUTAQ-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(CN(C(=O)C(C)(C)C(C)C)C2)C1 ZINC001147616504 805140329 /nfs/dbraw/zinc/14/03/29/805140329.db2.gz JVDSNAIQWZDSFL-UHFFFAOYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CCC(=O)N1CC2(C1)CC[N@H+](CCCCC)C2 ZINC001147646911 805141390 /nfs/dbraw/zinc/14/13/90/805141390.db2.gz IZMVOSCHABWAPB-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO CC[C@@H]1CCC[N@H+]1Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249429078 805146455 /nfs/dbraw/zinc/14/64/55/805146455.db2.gz MUXWXDOWYNIVOI-OAHLLOKOSA-N 1 1 253.349 3.414 20 30 CGEDMO C[C@]1(CO)CCC[N@@H+](Cc2cc3ccc(C#N)cc3[nH]2)CC1 ZINC001249426987 805146752 /nfs/dbraw/zinc/14/67/52/805146752.db2.gz MWJJGFNRPHBJST-SFHVURJKSA-N 1 1 297.402 3.024 20 30 CGEDMO CC(C)[N@@H+](Cc1cc2ccc(C#N)cc2[nH]1)C1CCOCC1 ZINC001249431133 805148035 /nfs/dbraw/zinc/14/80/35/805148035.db2.gz VJYPUSVERYWOBI-UHFFFAOYSA-N 1 1 297.402 3.429 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2cccc3c2CCC3)CC1 ZINC001249458817 805154105 /nfs/dbraw/zinc/15/41/05/805154105.db2.gz QRKUFVLSXDSJJY-AWEZNQCLSA-N 1 1 254.377 3.301 20 30 CGEDMO CCCCCCCNC(=S)N1CC[C@H]([N@@H+](C)C(C)C)C1 ZINC001249641333 805197623 /nfs/dbraw/zinc/19/76/23/805197623.db2.gz YNLWQZZKGFPDHY-HNNXBMFYSA-N 1 1 299.528 3.246 20 30 CGEDMO CCCCCCCNC(=S)N1CC[N@@H+](C(C)C)[C@@H](C)C1 ZINC001249638933 805197628 /nfs/dbraw/zinc/19/76/28/805197628.db2.gz FOEIYRXNIHZXHH-HNNXBMFYSA-N 1 1 299.528 3.246 20 30 CGEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)C[C@H](C)CC(C)C)C2)C1 ZINC001148598354 805198746 /nfs/dbraw/zinc/19/87/46/805198746.db2.gz CQQQHRGZMFCOPP-MRXNPFEDSA-N 1 1 292.467 3.169 20 30 CGEDMO CCN1CCc2ccc(C[N@@H+]3[C@@H]4CC[C@H]3C[C@H](C#N)C4)cc21 ZINC001249665467 805208565 /nfs/dbraw/zinc/20/85/65/805208565.db2.gz VWIRHHRXZNZZNA-XGWQRUHWSA-N 1 1 295.430 3.336 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1cc(F)cc(N(C)C)c1 ZINC001249955349 805323552 /nfs/dbraw/zinc/32/35/52/805323552.db2.gz JOAONONDEDCTLS-UHFFFAOYSA-N 1 1 263.360 3.017 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1cc(F)cc(N(C)C)c1 ZINC001249955349 805323560 /nfs/dbraw/zinc/32/35/60/805323560.db2.gz JOAONONDEDCTLS-UHFFFAOYSA-N 1 1 263.360 3.017 20 30 CGEDMO C=CCCC(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccsc1 ZINC001152313198 805344387 /nfs/dbraw/zinc/34/43/87/805344387.db2.gz IWDYSWZWIBDKPI-CYBMUJFWSA-N 1 1 280.437 3.041 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)CCCC ZINC001153588208 805406205 /nfs/dbraw/zinc/40/62/05/805406205.db2.gz OFHDKFIFQBVLHH-GFCCVEGCSA-N 1 1 288.863 3.392 20 30 CGEDMO C=CC[N@H+](C)Cc1cc(Br)c(C)cc1OC ZINC001250083417 805406332 /nfs/dbraw/zinc/40/63/32/805406332.db2.gz FOZFURVIILWBRY-UHFFFAOYSA-N 1 1 284.197 3.384 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(CCC)s1 ZINC001153647201 805409525 /nfs/dbraw/zinc/40/95/25/805409525.db2.gz UGANHKODIOKVFR-CYBMUJFWSA-N 1 1 294.464 3.327 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(C2CCC2)cc1 ZINC001153744220 805413883 /nfs/dbraw/zinc/41/38/83/805413883.db2.gz UZMONNXDTXQMTR-OAHLLOKOSA-N 1 1 298.430 3.028 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)C1CCC1 ZINC001153990902 805424765 /nfs/dbraw/zinc/42/47/65/805424765.db2.gz XBOQMOZNSBPVIH-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)C(C)(C)C ZINC001154025061 805427400 /nfs/dbraw/zinc/42/74/00/805427400.db2.gz FUDJKJMWCMIWIT-KGLIPLIRSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)C(=C)C ZINC001154589262 805465166 /nfs/dbraw/zinc/46/51/66/805465166.db2.gz XVDZJMNZLQITOG-OAHLLOKOSA-N 1 1 280.456 3.382 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)C/C=C\Cl ZINC001154758159 805483643 /nfs/dbraw/zinc/48/36/43/805483643.db2.gz ZVFUMXCTXIXIGQ-GIBSZGAASA-N 1 1 286.847 3.168 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)CC ZINC001154963445 805514927 /nfs/dbraw/zinc/51/49/27/805514927.db2.gz LKPUJSFYSHFUJV-CQSZACIVSA-N 1 1 268.445 3.215 20 30 CGEDMO C#CCCCNc1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001155014363 805523840 /nfs/dbraw/zinc/52/38/40/805523840.db2.gz SRNKHZTYIJXPKA-UHFFFAOYSA-N 1 1 277.799 3.156 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H](C)[N@H+](CC)CCCC)CC1 ZINC001155028313 805526035 /nfs/dbraw/zinc/52/60/35/805526035.db2.gz YDUISMGEYPJCIJ-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)CC[C@H](C)F)CC1 ZINC001155028317 805526364 /nfs/dbraw/zinc/52/63/64/805526364.db2.gz YJFYEMCHDSGHSV-LSDHHAIUSA-N 1 1 298.446 3.308 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H](C)[N@@H+](CC)C/C=C\Cl ZINC001155072592 805535709 /nfs/dbraw/zinc/53/57/09/805535709.db2.gz FZBHEYZAVYXFNL-SNJODYKJSA-N 1 1 286.847 3.168 20 30 CGEDMO Cc1ccc(CC#N)c(NC[C@H]2CCC(F)(F)C2)[nH+]1 ZINC001155174656 805550781 /nfs/dbraw/zinc/55/07/81/805550781.db2.gz WYIOZRNYVFCXOU-NSHDSACASA-N 1 1 265.307 3.303 20 30 CGEDMO CCC[C@@](C)(C#N)N[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256906685 807006195 /nfs/dbraw/zinc/00/61/95/807006195.db2.gz UCXYRHDGBKPDAA-ZBFHGGJFSA-N 1 1 263.429 3.065 20 30 CGEDMO N#Cc1ccc(C2CCC([N@H+]3CCC[C@H](O)CC3)CC2)cc1 ZINC001257016329 807028527 /nfs/dbraw/zinc/02/85/27/807028527.db2.gz ADMMASDSBKYDLQ-ACBHZAAOSA-N 1 1 298.430 3.431 20 30 CGEDMO C=CC[C@@H]([NH2+][C@@H](C)CC[C@@H](C)CCC)C(=O)OC ZINC001257472109 807172903 /nfs/dbraw/zinc/17/29/03/807172903.db2.gz QOZXHYFFDFNPJQ-MELADBBJSA-N 1 1 255.402 3.299 20 30 CGEDMO CC[C@@H](C)[N@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001257444065 807159836 /nfs/dbraw/zinc/15/98/36/807159836.db2.gz RIJGFBZYPGLGCD-CJNGLKHVSA-N 1 1 258.365 3.200 20 30 CGEDMO C=CCOC(=O)[C@H](CC(C)C)[NH2+]C1CCCCC1 ZINC001257449585 807162093 /nfs/dbraw/zinc/16/20/93/807162093.db2.gz LHOHMRJIEDRMEZ-AWEZNQCLSA-N 1 1 253.386 3.053 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@H+]([C@H](C)CCCCC)C2)C1=O ZINC001257513006 807187918 /nfs/dbraw/zinc/18/79/18/807187918.db2.gz QXYYEKBYNMCSQB-AEFFLSMTSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C(=O)NCCCNc1cc2ccc(C)cc2c[nH+]1 ZINC001167665728 807225041 /nfs/dbraw/zinc/22/50/41/807225041.db2.gz QXVOWCVLOGKKQU-UHFFFAOYSA-N 1 1 283.375 3.038 20 30 CGEDMO N#Cc1ccc(CCNc2ccc(C3CC3)c[nH+]2)cc1 ZINC001167679347 807226364 /nfs/dbraw/zinc/22/63/64/807226364.db2.gz NDIBEWUXRUYUTA-UHFFFAOYSA-N 1 1 263.344 3.485 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+](C)CC3CCOCC3)C[C@H](C1)C2 ZINC001257891449 807241257 /nfs/dbraw/zinc/24/12/57/807241257.db2.gz JNMNJPYQIYKIRL-SJPCQFCGSA-N 1 1 263.425 3.480 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCC[C@@](C)(O)CC3)C[C@H](C1)C2 ZINC001257892457 807242298 /nfs/dbraw/zinc/24/22/98/807242298.db2.gz YVXXNCDXEDUTPG-FCLJQHQZSA-N 1 1 263.425 3.358 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+](C)CCC(=O)OCC)C[C@H](C1)C2 ZINC001257895149 807245116 /nfs/dbraw/zinc/24/51/16/807245116.db2.gz IVKGPNUREGOMOR-YIONKMFJSA-N 1 1 265.397 3.006 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CC[C@H]4OCC[C@H]4C3)C[C@H](C1)C2 ZINC001257895557 807245265 /nfs/dbraw/zinc/24/52/65/807245265.db2.gz TURWPDAKYDZTEC-NFFSZXGFSA-N 1 1 261.409 3.232 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCC[C@]34CCOC4)C[C@H](C1)C2 ZINC001257895242 807245694 /nfs/dbraw/zinc/24/56/94/807245694.db2.gz NFKOIUWFLWYCOC-FCLJQHQZSA-N 1 1 261.409 3.376 20 30 CGEDMO CCCCCCC[C@@H](C)[NH2+][C@H](C(=O)OC)C1CC1 ZINC001258041128 807271173 /nfs/dbraw/zinc/27/11/73/807271173.db2.gz NCFDQJBANNTHGC-OCCSQVGLSA-N 1 1 255.402 3.277 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1CCO[C@]2(CCOC2)C1 ZINC001258045133 807273426 /nfs/dbraw/zinc/27/34/26/807273426.db2.gz WYASPPBSIIPGRH-HZPDHXFCSA-N 1 1 269.429 3.227 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1CC[C@](O)(CF)[C@@H](F)C1 ZINC001258044599 807273994 /nfs/dbraw/zinc/27/39/94/807273994.db2.gz RNIUKAPHLGBUSL-ILXRZTDVSA-N 1 1 277.399 3.480 20 30 CGEDMO CC(C)=CCC[C@@H](C)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001258088267 807299661 /nfs/dbraw/zinc/29/96/61/807299661.db2.gz KRVGZRQGXGVOFM-OCCSQVGLSA-N 1 1 265.422 3.395 20 30 CGEDMO CCCNc1[nH+]cc2c(c1C#N)N(Cc1ccccc1)CC2 ZINC001168130827 807316832 /nfs/dbraw/zinc/31/68/32/807316832.db2.gz RLDZVRAOEXZHMM-UHFFFAOYSA-N 1 1 292.386 3.338 20 30 CGEDMO C=CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CCC(C)(C)C1 ZINC001258595104 807494555 /nfs/dbraw/zinc/49/45/55/807494555.db2.gz RAWKFYMFPDJRRR-KGLIPLIRSA-N 1 1 267.413 3.299 20 30 CGEDMO C=CC[C@@](C)([NH2+][C@H]1C[C@H](C)CC(C)(C)C1)C(=O)OC ZINC001258694827 807550214 /nfs/dbraw/zinc/55/02/14/807550214.db2.gz WIGWBPUFEVLKOM-HEHGZKQESA-N 1 1 267.413 3.299 20 30 CGEDMO C=CC[C@H]([NH2+][C@H](Cc1ccccc1)CC(C)C)C(=O)OC ZINC001169058997 807562462 /nfs/dbraw/zinc/56/24/62/807562462.db2.gz CDTBKKLVCVWWFU-IRXDYDNUSA-N 1 1 289.419 3.351 20 30 CGEDMO CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CC[C@@H](C#N)C1 ZINC001169084215 807569391 /nfs/dbraw/zinc/56/93/91/807569391.db2.gz HUHPCKKHJCAIQZ-IRXDYDNUSA-N 1 1 256.393 3.489 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)OC(C)(C)C)C2(CC2)C1 ZINC001258724776 807573716 /nfs/dbraw/zinc/57/37/16/807573716.db2.gz DVDFRHSJTJGBNB-UONOGXRCSA-N 1 1 294.439 3.330 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2C(=O)Nc3ccccc3[C@H]2C1 ZINC001258724706 807573951 /nfs/dbraw/zinc/57/39/51/807573951.db2.gz CVLWMHFTUPTEQO-YUELXQCFSA-N 1 1 270.376 3.009 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCn2c(COCC)cnc2[C@@H]1C ZINC001258728147 807575062 /nfs/dbraw/zinc/57/50/62/807575062.db2.gz MIUCYVUSEKNARV-KBPBESRZSA-N 1 1 277.412 3.151 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CCn2c(COCC)cnc2[C@@H]1C ZINC001258728147 807575065 /nfs/dbraw/zinc/57/50/65/807575065.db2.gz MIUCYVUSEKNARV-KBPBESRZSA-N 1 1 277.412 3.151 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCO[C@]2(CCC[C@H]2COCC=C)C1 ZINC001258730196 807576237 /nfs/dbraw/zinc/57/62/37/807576237.db2.gz BUCRZZVTOFHRCA-FGTMMUONSA-N 1 1 293.451 3.415 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)Cc1cc(OC)cc(OC)c1 ZINC001258730559 807577427 /nfs/dbraw/zinc/57/74/27/807577427.db2.gz JURQSONRDJXESE-ZDUSSCGKSA-N 1 1 263.381 3.490 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCN(C)Cc1ccccc1 ZINC001258732681 807579447 /nfs/dbraw/zinc/57/94/47/807579447.db2.gz BGJSXJMHOJUQEN-MRXNPFEDSA-N 1 1 260.425 3.405 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](Oc2ccc(C)cn2)C1 ZINC001258734086 807580601 /nfs/dbraw/zinc/58/06/01/807580601.db2.gz RGONOEVIGXIXRV-HUUCEWRRSA-N 1 1 260.381 3.198 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC001258735051 807580859 /nfs/dbraw/zinc/58/08/59/807580859.db2.gz NIJKAEGCHLJVTJ-KBPBESRZSA-N 1 1 267.413 3.395 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](Oc2ccc(OC)cn2)C1 ZINC001258736547 807582638 /nfs/dbraw/zinc/58/26/38/807582638.db2.gz VWPMDJPQEZQZIH-HOCLYGCPSA-N 1 1 290.407 3.288 20 30 CGEDMO C=CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CCC[C@H](C)C1 ZINC001258807462 807627110 /nfs/dbraw/zinc/62/71/10/807627110.db2.gz JFCMBGJSTUNFMM-ZNMIVQPWSA-N 1 1 267.413 3.299 20 30 CGEDMO C=CC[C@@](C)([NH2+][C@@H](CC)Cc1ccccc1)C(=O)OC ZINC001258844229 807655505 /nfs/dbraw/zinc/65/55/05/807655505.db2.gz OXQIBSJHCYQDJH-DOTOQJQBSA-N 1 1 275.392 3.105 20 30 CGEDMO CCCCc1nc(NCC(C)(C)S)cc(C)[nH+]1 ZINC001170305036 807822919 /nfs/dbraw/zinc/82/29/19/807822919.db2.gz ITEXBSMFPBNMBV-UHFFFAOYSA-N 1 1 253.415 3.248 20 30 CGEDMO C[C@@H]1CC[N@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170379103 807831934 /nfs/dbraw/zinc/83/19/34/807831934.db2.gz QBPSYBZLVOFHED-ODIFPOPNSA-N 1 1 254.377 3.485 20 30 CGEDMO C=CCn1ccc2c1nc[nH+]c2NCC#Cc1ccccc1 ZINC001170424164 807838754 /nfs/dbraw/zinc/83/87/54/807838754.db2.gz SCXRYCHHTDKHOI-UHFFFAOYSA-N 1 1 288.354 3.081 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1Cc2cccc(C)c2CC1(C)C ZINC001170499700 807849175 /nfs/dbraw/zinc/84/91/75/807849175.db2.gz FQCKRHFLHXKKJW-INIZCTEOSA-N 1 1 273.420 3.459 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)[C@H]1CC[C@@H](C(=O)OC)C1 ZINC001170555326 807856200 /nfs/dbraw/zinc/85/62/00/807856200.db2.gz ZBYGSLMUTPVDIG-SJORKVTESA-N 1 1 287.403 3.406 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+]([C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171056645 807975025 /nfs/dbraw/zinc/97/50/25/807975025.db2.gz MCEXWYIWAVINNF-BBRMVZONSA-N 1 1 274.795 3.433 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+]([C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171056645 807975026 /nfs/dbraw/zinc/97/50/26/807975026.db2.gz MCEXWYIWAVINNF-BBRMVZONSA-N 1 1 274.795 3.433 20 30 CGEDMO C=C(CC)C(=O)Nc1cccc2c1C[N@@H+](CCC)C2 ZINC001263725555 807997458 /nfs/dbraw/zinc/99/74/58/807997458.db2.gz HXROYOKJMSJCKF-UHFFFAOYSA-N 1 1 258.365 3.317 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H](C#N)CC1 ZINC001171224702 808012277 /nfs/dbraw/zinc/01/22/77/808012277.db2.gz UJLZNTLWRQDVIR-HUUCEWRRSA-N 1 1 267.376 3.115 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@H](C(F)F)C1 ZINC001171224337 808013020 /nfs/dbraw/zinc/01/30/20/808013020.db2.gz QOCPCVNEBJPTIR-WFASDCNBSA-N 1 1 278.346 3.466 20 30 CGEDMO C#CCCCCC(=O)N[C@H]1CC[N@H+](C[C@@H](C)CC)[C@@H]1CC ZINC001264049325 808030698 /nfs/dbraw/zinc/03/06/98/808030698.db2.gz VHGIXZZPSHBFDI-YESZJQIVSA-N 1 1 292.467 3.195 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)CCCC)[C@H]1CC ZINC001264050377 808031450 /nfs/dbraw/zinc/03/14/50/808031450.db2.gz LLXDIIGBXXXESR-OWCLPIDISA-N 1 1 280.456 3.358 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@@H+](CC(=C)C)[C@@H]1CC ZINC001264061609 808032967 /nfs/dbraw/zinc/03/29/67/808032967.db2.gz FITFPCWIZPMYIQ-ZMSDIMECSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CC[C@H](C(=O)OC)[N@H+]1CC[C@H]([C@@H]2CCCC2(C)C)C1 ZINC001171459178 808064153 /nfs/dbraw/zinc/06/41/53/808064153.db2.gz SKEHMGBFPLNTPN-SOUVJXGZSA-N 1 1 279.424 3.252 20 30 CGEDMO C=CCC1(C(=O)N(C)C[C@@H]2CC[N@@H+]2CCCC)CCCC1 ZINC001264382646 808065772 /nfs/dbraw/zinc/06/57/72/808065772.db2.gz MSEGZFGEKJRMJT-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171492288 808075464 /nfs/dbraw/zinc/07/54/64/808075464.db2.gz BYFAHKKJNPXCMM-WFASDCNBSA-N 1 1 275.342 3.167 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C2(CF)CCC2)[C@H]1CC ZINC001264618466 808081146 /nfs/dbraw/zinc/08/11/46/808081146.db2.gz GXSJTLXXLQMWCE-LSDHHAIUSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](C)CCC ZINC001264738790 808090204 /nfs/dbraw/zinc/09/02/04/808090204.db2.gz HAXGSTRGNCHERW-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@@H+](C)CCCNC(=O)c1ccc2[nH]ccc2c1 ZINC001265028636 808104238 /nfs/dbraw/zinc/10/42/38/808104238.db2.gz FBIQTVXCGLZMHH-UHFFFAOYSA-N 1 1 299.418 3.186 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCCNC(=O)Cc1ccc(C)s1 ZINC001265073403 808107172 /nfs/dbraw/zinc/10/71/72/808107172.db2.gz ZSNDCKPNIXTOJY-UHFFFAOYSA-N 1 1 294.464 3.003 20 30 CGEDMO C=CCC[N@@H+](CC)CCCNC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC001265131271 808112102 /nfs/dbraw/zinc/11/21/02/808112102.db2.gz TYCNARJHHZIARO-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)C2(C)CCC2)C1 ZINC001265220636 808120515 /nfs/dbraw/zinc/12/05/15/808120515.db2.gz NWXPUPPPCGRQBP-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C(CCC)CCC)C1 ZINC001265223402 808121004 /nfs/dbraw/zinc/12/10/04/808121004.db2.gz VWVVAOJAAQJMJK-MRXNPFEDSA-N 1 1 280.456 3.360 20 30 CGEDMO C/C=C(\C)C(=O)N[C@H]1CC[N@H+](CCCCCCC)C1 ZINC001265278431 808125068 /nfs/dbraw/zinc/12/50/68/808125068.db2.gz FVLZJBZFDDLZNG-JVDKPVQESA-N 1 1 266.429 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)/C=C(/C)CC)C1 ZINC001265523618 808151122 /nfs/dbraw/zinc/15/11/22/808151122.db2.gz NIPHSSUDRSGZLB-OIORMYRMSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)OCCCC ZINC001171920534 808153717 /nfs/dbraw/zinc/15/37/17/808153717.db2.gz IMNHBGJJIZJATC-ZNMIVQPWSA-N 1 1 267.413 3.443 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)[C@H](C)C2CCC2)C1 ZINC001265584295 808156866 /nfs/dbraw/zinc/15/68/66/808156866.db2.gz KEPHPZDCSAILLT-ZIAGYGMSSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)C2CCC2)C1 ZINC001265584295 808156868 /nfs/dbraw/zinc/15/68/68/808156868.db2.gz KEPHPZDCSAILLT-ZIAGYGMSSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)CC2(C)CCCC2)C1 ZINC001265582399 808157324 /nfs/dbraw/zinc/15/73/24/808157324.db2.gz QZPULTMAGPGZBD-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)C(CCC)CCC)C1 ZINC001265591521 808158125 /nfs/dbraw/zinc/15/81/25/808158125.db2.gz WLEPCICBBGDOKN-INIZCTEOSA-N 1 1 292.467 3.054 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)C2CCCC2)C1 ZINC001265595342 808158870 /nfs/dbraw/zinc/15/88/70/808158870.db2.gz XGBANBAIEKZRAV-CVEARBPZSA-N 1 1 292.467 3.217 20 30 CGEDMO C#CC[N@H+](C)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171973610 808162910 /nfs/dbraw/zinc/16/29/10/808162910.db2.gz LJEZXIPJDAATEK-LLVKDONJSA-N 1 1 255.283 3.201 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C/C=C/Cl)C1 ZINC001265705855 808171607 /nfs/dbraw/zinc/17/16/07/808171607.db2.gz NWLKGIFFOMSWLI-BIYBCCJYSA-N 1 1 298.858 3.168 20 30 CGEDMO C=CCCCC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C/C=C/Cl)C1 ZINC001265705960 808172200 /nfs/dbraw/zinc/17/22/00/808172200.db2.gz PDRMTZRAFSDBOG-FSQQNCNXSA-N 1 1 298.858 3.312 20 30 CGEDMO CCCCN(CCC#N)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172121948 808183722 /nfs/dbraw/zinc/18/37/22/808183722.db2.gz NTUSJTTZLAYHKG-MUJYYYPQSA-N 1 1 263.429 3.017 20 30 CGEDMO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+](C)Cc1cccc(C#N)c1)C2 ZINC001172130392 808185532 /nfs/dbraw/zinc/18/55/32/808185532.db2.gz OOZWEHBGJSKESX-PIIMJCKOSA-N 1 1 283.419 3.005 20 30 CGEDMO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+](C)Cc1cccc(C#N)c1)C2 ZINC001172130392 808185535 /nfs/dbraw/zinc/18/55/35/808185535.db2.gz OOZWEHBGJSKESX-PIIMJCKOSA-N 1 1 283.419 3.005 20 30 CGEDMO C=CCCC[N@@H+](C)CCCNC(=O)c1cc(C)cs1 ZINC001265840638 808186287 /nfs/dbraw/zinc/18/62/87/808186287.db2.gz WLRBSKNVPMKIOK-UHFFFAOYSA-N 1 1 280.437 3.074 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@@H]2CSc3ccccc3C2)C1 ZINC001172205715 808198559 /nfs/dbraw/zinc/19/85/59/808198559.db2.gz JUDXUAIHQMFKLE-ZFWWWQNUSA-N 1 1 257.402 3.049 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)C2(CCC)CC2)C1 ZINC001266111035 808213414 /nfs/dbraw/zinc/21/34/14/808213414.db2.gz UOERCNLNJZUECS-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@H](C)CC12CC2 ZINC001172311271 808223510 /nfs/dbraw/zinc/22/35/10/808223510.db2.gz RDPJSGGMUCIHNM-ZIAGYGMSSA-N 1 1 254.377 3.364 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCc2c(O)cccc2C1 ZINC001172313753 808223987 /nfs/dbraw/zinc/22/39/87/808223987.db2.gz FLMYFKZTIFDCRY-CQSZACIVSA-N 1 1 292.382 3.253 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001172312543 808224371 /nfs/dbraw/zinc/22/43/71/808224371.db2.gz GLDLBILJJKKPTL-OAHLLOKOSA-N 1 1 289.382 3.493 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC(F)(F)[C@@H](F)C1 ZINC001172315151 808225443 /nfs/dbraw/zinc/22/54/43/808225443.db2.gz NUHPNNUBWCFMEF-FZMZJTMJSA-N 1 1 282.309 3.168 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC(F)(F)[C@@H](F)C1 ZINC001172315151 808225446 /nfs/dbraw/zinc/22/54/46/808225446.db2.gz NUHPNNUBWCFMEF-FZMZJTMJSA-N 1 1 282.309 3.168 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1sccc1C ZINC001266198879 808226463 /nfs/dbraw/zinc/22/64/63/808226463.db2.gz PFZIYRPIJLOZJU-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H](NC(=O)C2=CCCCCC2)C1 ZINC001266215572 808228617 /nfs/dbraw/zinc/22/86/17/808228617.db2.gz LYVIRHLBLKCIFB-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)c1oc(C)cc1C ZINC001266207817 808228665 /nfs/dbraw/zinc/22/86/65/808228665.db2.gz UFJLVBKDCQEJTN-OAHLLOKOSA-N 1 1 290.407 3.057 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CCC[N@H+](CCCCC)C1 ZINC001266222737 808230808 /nfs/dbraw/zinc/23/08/08/808230808.db2.gz WHURZKIVUDLHSZ-OAHLLOKOSA-N 1 1 266.429 3.114 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1CCC[N@@H+](CC=C(C)C)C1 ZINC001266237073 808231421 /nfs/dbraw/zinc/23/14/21/808231421.db2.gz QDVXFNQRGSBLJX-RDJZCZTQSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)C2(C)CC=CC2)C1 ZINC001266236686 808232152 /nfs/dbraw/zinc/23/21/52/808232152.db2.gz MTNVIPWHNAHMMS-CVEARBPZSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001266314974 808242035 /nfs/dbraw/zinc/24/20/35/808242035.db2.gz NEOVMLDRJBHUNC-DZGCQCFKSA-N 1 1 294.414 3.329 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001266336477 808245109 /nfs/dbraw/zinc/24/51/09/808245109.db2.gz QFERROWKVZFBDD-NVXWUHKLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCC[C@H](C[N@@H+](C)CC=C)C1 ZINC001266460225 808269129 /nfs/dbraw/zinc/26/91/29/808269129.db2.gz XWLBZOAQYLESTF-MRXNPFEDSA-N 1 1 290.451 3.111 20 30 CGEDMO C[C@@H]1CC[C@H]([N@H+]2CCC3SC(=O)C=C3C2)C[C@H]1C ZINC001172374951 808269988 /nfs/dbraw/zinc/26/99/88/808269988.db2.gz QMTIAUORGOZJQV-RFHZTLPTSA-N 1 1 265.422 3.085 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)C2(CCC)CCC2)C1 ZINC001266466960 808270616 /nfs/dbraw/zinc/27/06/16/808270616.db2.gz ZVRGMRCULOYZFA-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@H]1CCC[N@H+]1CC=C(C)C ZINC001266477767 808273004 /nfs/dbraw/zinc/27/30/04/808273004.db2.gz VGYNLTZOBXCCLR-JKSUJKDBSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@H+]([C@@H](CC)CC(C)C)C2)C1=O ZINC001172403517 808291279 /nfs/dbraw/zinc/29/12/79/808291279.db2.gz ULHDBPFXHWGANN-WMZOPIPTSA-N 1 1 292.467 3.312 20 30 CGEDMO C=Cc1ccc(C(=O)NCC[N@H+](CCC(=C)C)C2CC2)cc1 ZINC001266611417 808296224 /nfs/dbraw/zinc/29/62/24/808296224.db2.gz ISPNINSZPOPPGL-UHFFFAOYSA-N 1 1 298.430 3.490 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CCNC(=O)C1(C)CC=CC1)C1CC1 ZINC001266609711 808296899 /nfs/dbraw/zinc/29/68/99/808296899.db2.gz VMYLNYFMSMDILI-OAHLLOKOSA-N 1 1 290.451 3.278 20 30 CGEDMO CC(C)OCC[C@H](C)[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001172441945 808316273 /nfs/dbraw/zinc/31/62/73/808316273.db2.gz FKMAODMRORRRTI-AWEZNQCLSA-N 1 1 272.392 3.120 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2(CCC)CC2)C1 ZINC001266895647 808330791 /nfs/dbraw/zinc/33/07/91/808330791.db2.gz QUHGPSJBQDPOQO-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1CCC ZINC001266886957 808332083 /nfs/dbraw/zinc/33/20/83/808332083.db2.gz RWWPEOYJLCNGAL-JKSUJKDBSA-N 1 1 278.440 3.208 20 30 CGEDMO CC(C)[C@@H]([NH2+][C@H](C)CCCC#N)C(=O)OC(C)(C)C ZINC001172479857 808343217 /nfs/dbraw/zinc/34/32/17/808343217.db2.gz LEACTUYSTQRJSV-CHWSQXEVSA-N 1 1 268.401 3.025 20 30 CGEDMO COc1ccc(CC[N@@H+](C)[C@H](C)CCCC#N)cc1OC ZINC001172494756 808352987 /nfs/dbraw/zinc/35/29/87/808352987.db2.gz XTFPCWKREIVGHB-CQSZACIVSA-N 1 1 290.407 3.260 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)C/C=C(/C)C=C)C1 ZINC001267107923 808360444 /nfs/dbraw/zinc/36/04/44/808360444.db2.gz IVQNYFMGVUHIJR-ZFOVBUMHSA-N 1 1 290.451 3.398 20 30 CGEDMO C[C@H](CCCC#N)[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001172504666 808361227 /nfs/dbraw/zinc/36/12/27/808361227.db2.gz IAHOMZLFMNPNFE-KGLIPLIRSA-N 1 1 295.427 3.010 20 30 CGEDMO C[C@H](CCCC#N)N1CC[N@H+](C2CCCCC2)[C@@H](C)C1 ZINC001172506375 808363277 /nfs/dbraw/zinc/36/32/77/808363277.db2.gz SFNHNYLYILZSMH-CVEARBPZSA-N 1 1 277.456 3.408 20 30 CGEDMO Cc1cccnc1O[C@H]1CCC[N@H+]([C@@H](C)CCCC#N)C1 ZINC001172509706 808365856 /nfs/dbraw/zinc/36/58/56/808365856.db2.gz OKOXVHBKEPKPJM-HOTGVXAUSA-N 1 1 287.407 3.316 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCC[N@@H+](C)Cc1cccc(C)c1 ZINC001267215936 808384367 /nfs/dbraw/zinc/38/43/67/808384367.db2.gz RLCXSMUUXOKWAZ-GOSISDBHSA-N 1 1 288.435 3.145 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CC)CCNC(=O)c1ccccc1 ZINC001267234892 808390241 /nfs/dbraw/zinc/39/02/41/808390241.db2.gz OKGRPXJXSOHMDK-OAHLLOKOSA-N 1 1 274.408 3.093 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)CC[C@@H](C)CC)C1 ZINC001267306478 808408124 /nfs/dbraw/zinc/40/81/24/808408124.db2.gz WQWKKVYSBUIKAK-GXTWGEPZSA-N 1 1 286.847 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)CC[C@@H](C)CC)C1 ZINC001267306478 808408134 /nfs/dbraw/zinc/40/81/34/808408134.db2.gz WQWKKVYSBUIKAK-GXTWGEPZSA-N 1 1 286.847 3.003 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)C2CCCC2)C1 ZINC001267306198 808408982 /nfs/dbraw/zinc/40/89/82/808408982.db2.gz FMZRTUMPGIZMDL-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@@H+](CCNC(=O)C[C@H]1C=CCCC1)C1CC1 ZINC001267327394 808415239 /nfs/dbraw/zinc/41/52/39/808415239.db2.gz MBCZQCZSXABYRE-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001267423916 808425035 /nfs/dbraw/zinc/42/50/35/808425035.db2.gz XFBLJBSADWOFBO-OIISXLGYSA-N 1 1 290.451 3.064 20 30 CGEDMO C#CCC[N@H+](CCCNC(=O)[C@H]1CCC[C@H](C)C1)C(C)C ZINC001267506877 808435029 /nfs/dbraw/zinc/43/50/29/808435029.db2.gz CJQILKJGUWHPCL-IRXDYDNUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](CCNC(=O)C(C)=C2CCCC2)C1 ZINC001267553067 808445641 /nfs/dbraw/zinc/44/56/41/808445641.db2.gz BCGZIYIGXGJLPO-INIZCTEOSA-N 1 1 290.451 3.281 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)CC(C)=C(C)C)C1 ZINC001267561538 808447727 /nfs/dbraw/zinc/44/77/27/808447727.db2.gz GEWFBNOTMIJLJI-HNNXBMFYSA-N 1 1 298.858 3.314 20 30 CGEDMO Cc1ccc2c(c1)C[C@@H]([N@H+]1CCC3SC(=O)C=C3C1)CC2 ZINC001172829150 808450071 /nfs/dbraw/zinc/45/00/71/808450071.db2.gz ATTNQKCFWVVIHT-DLBZAZTESA-N 1 1 299.439 3.126 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)C=C2CCCCC2)C1 ZINC001267578773 808451115 /nfs/dbraw/zinc/45/11/15/808451115.db2.gz QWAPRZWNJCYLLF-KRWDZBQOSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)CC(C)C)C1 ZINC001267576913 808451490 /nfs/dbraw/zinc/45/14/90/808451490.db2.gz BJFIRXWZOCMSGP-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CCC[N@H+](CC/C=C\CC)C1 ZINC001267613708 808458719 /nfs/dbraw/zinc/45/87/19/808458719.db2.gz RGNUETDHAQYTEK-OGZRUICASA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCCC(=O)N1CC[C@@H](C[N@H+](C)C[C@H](C)CC(C)C)C1 ZINC001267633262 808463064 /nfs/dbraw/zinc/46/30/64/808463064.db2.gz WBLQJYUMXKWTGN-SJORKVTESA-N 1 1 294.483 3.415 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H](C[N@H+](C)C[C@H](F)CC)C1 ZINC001267669481 808467342 /nfs/dbraw/zinc/46/73/42/808467342.db2.gz FRQRQUYGHZYYQK-HUUCEWRRSA-N 1 1 298.446 3.117 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1=CCCCC1 ZINC001267704418 808474360 /nfs/dbraw/zinc/47/43/60/808474360.db2.gz PIBXYQOUDAYSHN-IRXDYDNUSA-N 1 1 288.435 3.128 20 30 CGEDMO N#C[C@@H]1CCC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172912450 808477471 /nfs/dbraw/zinc/47/74/71/808477471.db2.gz ANECEFIVSGLFGE-BBRMVZONSA-N 1 1 299.374 3.078 20 30 CGEDMO C=CC[N@H+](C)CC1CCN(C(=O)[C@@H](C)C(CC)CC)CC1 ZINC001267733657 808478765 /nfs/dbraw/zinc/47/87/65/808478765.db2.gz YGISFGZRFMKIJT-HNNXBMFYSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C(C)C[N@H+](C)CC1CCN(C(=O)C[C@@H](C)CC)CC1 ZINC001267724940 808478917 /nfs/dbraw/zinc/47/89/17/808478917.db2.gz QIMRMUCCETTXCZ-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccc(C)s2)C1 ZINC001267736195 808480193 /nfs/dbraw/zinc/48/01/93/808480193.db2.gz WMZVNAGPEDWPRX-GXTWGEPZSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC(C[N@@H+](C)CC(C)C)CC1 ZINC001267739379 808481635 /nfs/dbraw/zinc/48/16/35/808481635.db2.gz CDWJMURHONZMOA-INIZCTEOSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001267749984 808483429 /nfs/dbraw/zinc/48/34/29/808483429.db2.gz WHLYXLXMIHYLDP-RHSMWYFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC)CC(C)C)C1 ZINC001267774993 808488135 /nfs/dbraw/zinc/48/81/35/808488135.db2.gz MNWQXZYRMMIMHJ-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCCC(=O)N(CC)[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001267788557 808492574 /nfs/dbraw/zinc/49/25/74/808492574.db2.gz AFDVNDKNMFPSMX-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)C[C@@H]2CC=CCC2)C1 ZINC001267792089 808494495 /nfs/dbraw/zinc/49/44/95/808494495.db2.gz SUDBVYHGNIOCEP-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO CCC[N@@H+](CCC#N)C1CCC2(CCOCC2)CC1 ZINC001173049847 808499865 /nfs/dbraw/zinc/49/98/65/808499865.db2.gz IXYSNGJUMHRSQH-UHFFFAOYSA-N 1 1 264.413 3.351 20 30 CGEDMO CCCOC1CCC([N@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC001173099977 808509147 /nfs/dbraw/zinc/50/91/47/808509147.db2.gz YAJYTAWSKJOUIW-FHERZECASA-N 1 1 264.413 3.350 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001268201929 808554904 /nfs/dbraw/zinc/55/49/04/808554904.db2.gz HWWNKTKEDHVQJY-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+](C)CCC1CCN(C(=O)/C=C\C(C)(C)C)CC1 ZINC001268200885 808555991 /nfs/dbraw/zinc/55/59/91/808555991.db2.gz SCWMIYUOFSKRNZ-XFFZJAGNSA-N 1 1 292.467 3.335 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CC=C(C)C)C1 ZINC001268260955 808571813 /nfs/dbraw/zinc/57/18/13/808571813.db2.gz AJMLIXXOROSALM-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC[NH+]1CC(NC(=O)[C@H](CC=C)c2ccccc2)C1 ZINC001268484283 808591900 /nfs/dbraw/zinc/59/19/00/808591900.db2.gz FIZUPQSBICDPPZ-GOSISDBHSA-N 1 1 298.430 3.113 20 30 CGEDMO C=CCOC1CCC(n2cc(CC[NH3+])c3cnccc32)CC1 ZINC001173317477 808608755 /nfs/dbraw/zinc/60/87/55/808608755.db2.gz YHVRDOYHSNQSJG-UHFFFAOYSA-N 1 1 299.418 3.224 20 30 CGEDMO C=CCOC1CCC([N@@H+](C)CC2CC(F)(F)C2)CC1 ZINC001173326479 808612316 /nfs/dbraw/zinc/61/23/16/808612316.db2.gz IHBDMGWOHQEYKT-UHFFFAOYSA-N 1 1 273.367 3.477 20 30 CGEDMO C=CCOC1CCC([N@@H+](CCC)CCC#N)CC1 ZINC001173327165 808613213 /nfs/dbraw/zinc/61/32/13/808613213.db2.gz HSXUTSWEEVFYGO-UHFFFAOYSA-N 1 1 250.386 3.126 20 30 CGEDMO N#CCC1CCC([N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)CC1 ZINC001173336145 808617083 /nfs/dbraw/zinc/61/70/83/808617083.db2.gz PCJUFBLYHAXBLN-AKJUYKBHSA-N 1 1 268.351 3.436 20 30 CGEDMO N#CCC1CCC([N@H+]2CC[C@H](c3ccccn3)C2)CC1 ZINC001173338808 808618602 /nfs/dbraw/zinc/61/86/02/808618602.db2.gz JBEAPWYILDEMRJ-PCKAHOCUSA-N 1 1 269.392 3.343 20 30 CGEDMO COC(=O)CC[N@@H+](C1CCCC1)C1CCC(CC#N)CC1 ZINC001173339731 808619757 /nfs/dbraw/zinc/61/97/57/808619757.db2.gz RKTVBXADYILORK-UHFFFAOYSA-N 1 1 292.423 3.267 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc2c(c1)CCC=C2 ZINC001268753984 808623044 /nfs/dbraw/zinc/62/30/44/808623044.db2.gz YNOOPEDENABDBS-OAHLLOKOSA-N 1 1 298.430 3.272 20 30 CGEDMO C=CCCCCCCCCC(=O)N1CC2(CC[N@H+]2C)C1 ZINC001268833877 808631444 /nfs/dbraw/zinc/63/14/44/808631444.db2.gz BSVYTQKFAOJTBO-UHFFFAOYSA-N 1 1 278.440 3.210 20 30 CGEDMO C=CCCCCCCCCC(=O)N1CC2(CC[N@@H+]2C)C1 ZINC001268833877 808631453 /nfs/dbraw/zinc/63/14/53/808631453.db2.gz BSVYTQKFAOJTBO-UHFFFAOYSA-N 1 1 278.440 3.210 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C=C(CC)CC ZINC001268934811 808636888 /nfs/dbraw/zinc/63/68/88/808636888.db2.gz KRVYFIBVJQPIPT-XIRDDKMYSA-N 1 1 290.451 3.373 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2cc(C)oc2C)C1 ZINC001269103957 808647841 /nfs/dbraw/zinc/64/78/41/808647841.db2.gz JOGBTSNREDABPY-IUODEOHRSA-N 1 1 290.407 3.055 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001269159593 808651887 /nfs/dbraw/zinc/65/18/87/808651887.db2.gz NIYWTGGLOKHQQT-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)c1ccc(C)s1 ZINC001269189122 808653009 /nfs/dbraw/zinc/65/30/09/808653009.db2.gz OMTYUOLNSOKKKS-JSGCOSHPSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)C2(C)CCCC2)C1 ZINC001269262235 808661830 /nfs/dbraw/zinc/66/18/30/808661830.db2.gz FXHQMHXMWDBJIN-CVEARBPZSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1CC[N@@H+]1CC/C=C/CC ZINC001269272593 808661920 /nfs/dbraw/zinc/66/19/20/808661920.db2.gz LWGKPHDPSRGZRC-KIUWMYQTSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](N(CC)C(=O)c2ccoc2)C1 ZINC001269307830 808667547 /nfs/dbraw/zinc/66/75/47/808667547.db2.gz XUKQSNATIBUQPB-ZBFHGGJFSA-N 1 1 290.407 3.171 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)CCC2CCC2)C1 ZINC001269318379 808668972 /nfs/dbraw/zinc/66/89/72/808668972.db2.gz LNDKRRMKBMMMAI-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO CCCCCCCC[N@@H+](C)[C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173761738 808670547 /nfs/dbraw/zinc/67/05/47/808670547.db2.gz VWULLYXVZIBTOK-JKSUJKDBSA-N 1 1 293.459 3.449 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H](C)C(C)C)C1 ZINC001269347782 808671834 /nfs/dbraw/zinc/67/18/34/808671834.db2.gz BVIDRCGFYJASAF-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)C/C=C\c1ccc(C)cc1 ZINC001269356066 808673776 /nfs/dbraw/zinc/67/37/76/808673776.db2.gz MJCPJYDAPSAKIB-PYTPGESOSA-N 1 1 298.430 3.165 20 30 CGEDMO COc1cccc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)c1 ZINC001173824301 808691165 /nfs/dbraw/zinc/69/11/65/808691165.db2.gz ULTOACYNNBRGJY-UHFFFAOYSA-N 1 1 299.399 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)/C=C(\C)CC)C2)C1 ZINC001269686546 808697637 /nfs/dbraw/zinc/69/76/37/808697637.db2.gz PEZXYSMWGIRCGZ-FYXHJSOBSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)CC2CCCC2)C1 ZINC001270538914 808735376 /nfs/dbraw/zinc/73/53/76/808735376.db2.gz SBGBYQLGMSYDTI-KRWDZBQOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)C2(C)CC=CC2)C1 ZINC001270990520 808757328 /nfs/dbraw/zinc/75/73/28/808757328.db2.gz BZOSMCBLNGBKIQ-KRWDZBQOSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCC=C)C2 ZINC001271423402 808770370 /nfs/dbraw/zinc/77/03/70/808770370.db2.gz ZHGKFGGFCTUPRZ-ULQDDVLXSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[N@H+](C)CCC1CCN(C(=O)C2CC(C)C2)CC1 ZINC001271765962 808782039 /nfs/dbraw/zinc/78/20/39/808782039.db2.gz GGPKOMYMSYUIHM-UHFFFAOYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 ZINC001271759496 808782259 /nfs/dbraw/zinc/78/22/59/808782259.db2.gz QXOUSTHABNNWCT-DOTOQJQBSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC(C)(C)CC ZINC001272022739 808793646 /nfs/dbraw/zinc/79/36/46/808793646.db2.gz BMAOXXDPVGHOFH-LSDHHAIUSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC(C)(C)CC(=O)N(C)CC[N@@H+](C)Cc1ccsc1 ZINC001272027355 808793907 /nfs/dbraw/zinc/79/39/07/808793907.db2.gz HOQVYNHSRKHKEX-UHFFFAOYSA-N 1 1 294.464 3.241 20 30 CGEDMO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CCC/C=C\CC ZINC001273117200 808834252 /nfs/dbraw/zinc/83/42/52/808834252.db2.gz XYFIMGMYAGMQNT-OOFWQKGWSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CCC[N@H+](CC[C@@H](C)F)CC1 ZINC001273445236 808845490 /nfs/dbraw/zinc/84/54/90/808845490.db2.gz JYEGDLBPDKNAEV-CABCVRRESA-N 1 1 284.419 3.062 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)C[C@H](C)CC(C)C)CC1 ZINC001273466486 808846278 /nfs/dbraw/zinc/84/62/78/808846278.db2.gz PGHZVYWYKPCMFR-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC(=O)N(C)CCC[N@@H+](C)Cc1csc(C)c1 ZINC001273488636 808847602 /nfs/dbraw/zinc/84/76/02/808847602.db2.gz OXCDEAXCSAASJO-UHFFFAOYSA-N 1 1 294.464 3.303 20 30 CGEDMO C=C(C)CN1CC[C@]2(CC[N@@H+](CC3CCCCC3)C2)C1=O ZINC001273509816 808851262 /nfs/dbraw/zinc/85/12/62/808851262.db2.gz XQQADOJYPJYCJG-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)c1ccc2[nH]ccc2c1 ZINC001273554196 808853806 /nfs/dbraw/zinc/85/38/06/808853806.db2.gz QHOXOKAYSWBALI-UHFFFAOYSA-N 1 1 299.418 3.138 20 30 CGEDMO C=C(C)CN1CC[C@@]2(CCC[N@@H+](CCCCF)CC2)C1=O ZINC001273754577 808859946 /nfs/dbraw/zinc/85/99/46/808859946.db2.gz AGGPBKFXERALTG-KRWDZBQOSA-N 1 1 296.430 3.017 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2(CC)CC2)C[C@H]1C ZINC001274646527 808880918 /nfs/dbraw/zinc/88/09/18/808880918.db2.gz YLUOSIHYFIBUEZ-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)C[C@H]1C=CCC1 ZINC001275088354 808906800 /nfs/dbraw/zinc/90/68/00/808906800.db2.gz UVJIRBPHTAYUOO-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)C1CCCC1 ZINC001275113622 808909432 /nfs/dbraw/zinc/90/94/32/808909432.db2.gz BDELDIYBMPWZGU-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C#Cc1ccc(CN2CC[C@H]3[C@@H]2CC[N@H+]3C2CCCC2)cc1 ZINC001275132405 808913733 /nfs/dbraw/zinc/91/37/33/808913733.db2.gz RVPLNCRRRFGTBB-PMACEKPBSA-N 1 1 294.442 3.259 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)CCCC ZINC001275129399 808913891 /nfs/dbraw/zinc/91/38/91/808913891.db2.gz UEHBYQOKQRNJDV-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]2CN(C(=O)NC(C)C)C[C@H]21 ZINC001275131593 808914145 /nfs/dbraw/zinc/91/41/45/808914145.db2.gz UZQWANUXUQQQQF-JKSUJKDBSA-N 1 1 295.471 3.081 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1cccc(C)c1C ZINC001275167614 808918497 /nfs/dbraw/zinc/91/84/97/808918497.db2.gz QWXLVWDZMILAAH-INIZCTEOSA-N 1 1 286.419 3.026 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)c1[nH]c(C)cc1C ZINC001275592824 808950169 /nfs/dbraw/zinc/95/01/69/808950169.db2.gz SJZNYFRRQDPUDS-LSDHHAIUSA-N 1 1 291.439 3.036 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)c1ccc(C)c(F)c1 ZINC001275601020 808950909 /nfs/dbraw/zinc/95/09/09/808950909.db2.gz XDSHCWAZDZOUOQ-AWEZNQCLSA-N 1 1 292.398 3.150 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC1(C)C ZINC001275904677 808975892 /nfs/dbraw/zinc/97/58/92/808975892.db2.gz MQUQYUDRFXYWFL-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H]1CCCCC[N@@H+]1CC[C@H](C)F ZINC001276300123 808999386 /nfs/dbraw/zinc/99/93/86/808999386.db2.gz OWKNDHSIZRIKHJ-JKSUJKDBSA-N 1 1 298.446 3.452 20 30 CGEDMO C=CCCC[N@H+]1CCCCC[C@H]1CNC(=O)C=C1CCC1 ZINC001276290910 808999654 /nfs/dbraw/zinc/99/96/54/808999654.db2.gz UKAWMZURHXVNBF-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO Cc1coc(Nc2ccc(C[NH+]3CCOCC3)cc2)c1C#N ZINC001174445186 809017677 /nfs/dbraw/zinc/01/76/77/809017677.db2.gz AHOFCGCEKOKASA-UHFFFAOYSA-N 1 1 297.358 3.036 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@H]1C[N@@H+](CC(C)C)CC1(C)C ZINC001276602388 809020560 /nfs/dbraw/zinc/02/05/60/809020560.db2.gz ZJEGQACBMKOYNB-GJZGRUSLSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C(CCC)CCC)C(C)(C)C1 ZINC001276601980 809020989 /nfs/dbraw/zinc/02/09/89/809020989.db2.gz UWEBDHWVYGPPSQ-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)CC(C)C)C2)C1 ZINC001276847953 809036730 /nfs/dbraw/zinc/03/67/30/809036730.db2.gz UCBVTHMYAJMPFF-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]1CNC(=O)c1c[nH]cc1C ZINC001276971083 809052174 /nfs/dbraw/zinc/05/21/74/809052174.db2.gz YDDVXGUXVYYXQZ-HNNXBMFYSA-N 1 1 291.439 3.098 20 30 CGEDMO C=CCCCCCCCC[N@H+]1C[C@@H]2CC[C@H](C1)[C@H]2C(N)=O ZINC001277170629 809061344 /nfs/dbraw/zinc/06/13/44/809061344.db2.gz QBVOVLYRKQOMKF-BJWYYQGGSA-N 1 1 292.467 3.346 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@@]2(CCC[C@@H]2C(N)=O)C1 ZINC001277230325 809064637 /nfs/dbraw/zinc/06/46/37/809064637.db2.gz FTVKZFHETYLALX-WBVHZDCISA-N 1 1 280.456 3.324 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)C(C)(C)F)CC1 ZINC001277371757 809071092 /nfs/dbraw/zinc/07/10/92/809071092.db2.gz FDVVBSZRLLTFBE-CYBMUJFWSA-N 1 1 284.419 3.012 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@](C)(CC)CCC ZINC001277360370 809071508 /nfs/dbraw/zinc/07/15/08/809071508.db2.gz VZFXEZTYYGOLTA-SOLBZPMBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C/C(C)=C\CC(=O)N1CCC([N@@H+](C)CCC(=C)C)CC1 ZINC001277423234 809074741 /nfs/dbraw/zinc/07/47/41/809074741.db2.gz OFXSUNSGYUHCRH-APSNUPSMSA-N 1 1 290.451 3.398 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)CC2=CCCCC2)C1 ZINC001278369364 809128546 /nfs/dbraw/zinc/12/85/46/809128546.db2.gz QVHYJSZKUJSPOF-INIZCTEOSA-N 1 1 296.842 3.210 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)CC2=CCCCC2)C1 ZINC001278369364 809128550 /nfs/dbraw/zinc/12/85/50/809128550.db2.gz QVHYJSZKUJSPOF-INIZCTEOSA-N 1 1 296.842 3.210 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CCC[N@@H+](CC2CCC2)[C@@H]1C ZINC001278520088 809139292 /nfs/dbraw/zinc/13/92/92/809139292.db2.gz CCUDHQFUUVSECX-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C2CC2)[C@@H]1C ZINC001278514883 809139358 /nfs/dbraw/zinc/13/93/58/809139358.db2.gz AZGLXXWCZKOXST-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)[C@H]1CCC(C)(C)C1)C(C)C ZINC001278917811 809155120 /nfs/dbraw/zinc/15/51/20/809155120.db2.gz JMZQMRMUQWYCRK-HNNXBMFYSA-N 1 1 280.456 3.168 20 30 CGEDMO C#CCC[N@H+](C)CCN(C(=O)CC1CC(C)(C)C1)C(C)C ZINC001278918076 809155875 /nfs/dbraw/zinc/15/58/75/809155875.db2.gz LXCOIPUSNSTLEF-UHFFFAOYSA-N 1 1 292.467 3.005 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC(C)(C)CC[C@@H]1CO ZINC001174818802 809170839 /nfs/dbraw/zinc/17/08/39/809170839.db2.gz PPGGPTXLOVBOJX-MRXNPFEDSA-N 1 1 286.419 3.158 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+](CCCCC)C[C@@H]2C1 ZINC001279396290 809172333 /nfs/dbraw/zinc/17/23/33/809172333.db2.gz SEBGYCIUIPOEQA-JZXOWHBKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC(C)(C)C ZINC001279539480 809173391 /nfs/dbraw/zinc/17/33/91/809173391.db2.gz CMWWPWQYJFAFPY-HOTGVXAUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCCF ZINC001279585464 809175708 /nfs/dbraw/zinc/17/57/08/809175708.db2.gz BQYHMRIWMJAEGE-GJZGRUSLSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)[C@H](C)CC ZINC001280315010 809184292 /nfs/dbraw/zinc/18/42/92/809184292.db2.gz HJLHDDNXCKMVCJ-OAHLLOKOSA-N 1 1 288.435 3.357 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](CCCOc2ccc3c(c2)OCO3)C1 ZINC001174889875 809191915 /nfs/dbraw/zinc/19/19/15/809191915.db2.gz AFVAMPGBFGQBJW-AWEZNQCLSA-N 1 1 289.375 3.082 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CCC[N@H+](C(C)C)CC2)CCC1 ZINC001280756856 809197972 /nfs/dbraw/zinc/19/79/72/809197972.db2.gz PGIOVAKTHTWHKY-HNNXBMFYSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)CCC(=C)C)C[C@H]1C ZINC001281665798 809216568 /nfs/dbraw/zinc/21/65/68/809216568.db2.gz UGDSACURBAOIRA-CVEARBPZSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)/C=C/C(C)(C)C ZINC001281928098 809223185 /nfs/dbraw/zinc/22/31/85/809223185.db2.gz JIIXOPBIWDMUTD-AUECHBEKSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)C1(C)CC=CC1 ZINC001281957186 809226239 /nfs/dbraw/zinc/22/62/39/809226239.db2.gz PJCNRJQOXLZEIB-AWEZNQCLSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C1(C)CC=CC1 ZINC001281957186 809226244 /nfs/dbraw/zinc/22/62/44/809226244.db2.gz PJCNRJQOXLZEIB-AWEZNQCLSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1ccccc1 ZINC001282344612 809242136 /nfs/dbraw/zinc/24/21/36/809242136.db2.gz XBUBBXALDWNQOR-CABCVRRESA-N 1 1 274.408 3.091 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H](C)[N@@H+](C)CC1CC2(CCC2)C1 ZINC001282444634 809247900 /nfs/dbraw/zinc/24/79/00/809247900.db2.gz USBZLBPLDINTKC-AWEZNQCLSA-N 1 1 292.467 3.215 20 30 CGEDMO C[N@H+]1CCc2c(C#N)c(Nc3ccc(O)cc3)sc2C1 ZINC001175039718 809248159 /nfs/dbraw/zinc/24/81/59/809248159.db2.gz RPBDEQAGKMPJHF-UHFFFAOYSA-N 1 1 285.372 3.057 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCCC1(C)C ZINC001282496054 809251702 /nfs/dbraw/zinc/25/17/02/809251702.db2.gz HWHXGVMVLXEXMU-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)CC1CCC1 ZINC001282662010 809257735 /nfs/dbraw/zinc/25/77/35/809257735.db2.gz OTOYHHREBCEACK-OAHLLOKOSA-N 1 1 298.858 3.290 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)CC1CCC1 ZINC001282662010 809257738 /nfs/dbraw/zinc/25/77/38/809257738.db2.gz OTOYHHREBCEACK-OAHLLOKOSA-N 1 1 298.858 3.290 20 30 CGEDMO C#CCCCCC(=O)N1CCC([N@@H+](C)CC=C(C)C)CC1 ZINC001283302388 809275401 /nfs/dbraw/zinc/27/54/01/809275401.db2.gz VYHVQXXCIMXSCS-UHFFFAOYSA-N 1 1 290.451 3.069 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)CCC(C)C)CCC[C@@H]12 ZINC001284033561 809293593 /nfs/dbraw/zinc/29/35/93/809293593.db2.gz XRVOWNBMNIOLCG-ZBFHGGJFSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)CCC(C)C)CCC[C@@H]12 ZINC001284033561 809293596 /nfs/dbraw/zinc/29/35/96/809293596.db2.gz XRVOWNBMNIOLCG-ZBFHGGJFSA-N 1 1 298.858 3.288 20 30 CGEDMO C#CCCCCCC(=O)N[C@]12CCC[C@@H]1[N@@H+](C(C)C)CC2 ZINC001284071780 809295135 /nfs/dbraw/zinc/29/51/35/809295135.db2.gz ZMLHZMUFGQETGK-WMZOPIPTSA-N 1 1 290.451 3.092 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)CSC(C)C)[C@H]1C ZINC001284119092 809296611 /nfs/dbraw/zinc/29/66/11/809296611.db2.gz KZVJEMHPOYAFHH-HUUCEWRRSA-N 1 1 298.496 3.063 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CCCCC)[C@H]1C ZINC001284118533 809296675 /nfs/dbraw/zinc/29/66/75/809296675.db2.gz JWKYPQKGCUFURW-CABCVRRESA-N 1 1 266.429 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)CC)[C@H]1C ZINC001284133285 809297465 /nfs/dbraw/zinc/29/74/65/809297465.db2.gz VMNRDZGANZLKBM-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO CCCCC[N@H+]1CCC[C@H](NC(=O)C#CC(C)(C)C)[C@@H]1C ZINC001284130486 809298286 /nfs/dbraw/zinc/29/82/86/809298286.db2.gz WQUVYIBNZWCYIS-HOTGVXAUSA-N 1 1 292.467 3.195 20 30 CGEDMO N#Cc1ccc(OCCC[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)cc1 ZINC001175425914 809400667 /nfs/dbraw/zinc/40/06/67/809400667.db2.gz FYCZSLYGAMIQNC-CALCHBBNSA-N 1 1 282.387 3.225 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)C[C@H](C)c1ccccc1 ZINC001297380510 809516185 /nfs/dbraw/zinc/51/61/85/809516185.db2.gz ZWSQSFYALAAZQI-INIZCTEOSA-N 1 1 288.435 3.147 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)C(CC)(CC)CC ZINC001297373222 809516627 /nfs/dbraw/zinc/51/66/27/809516627.db2.gz OYBPNDIHKFFJSM-UHFFFAOYSA-N 1 1 268.445 3.169 20 30 CGEDMO C=CC[C@@H](C(=O)OC)[NH+]1CCC(c2cccc(F)c2)CC1 ZINC001175890909 809565117 /nfs/dbraw/zinc/56/51/17/809565117.db2.gz YVJNWJRYQQHKOA-INIZCTEOSA-N 1 1 291.366 3.123 20 30 CGEDMO C=C(CC(C)C)C(=O)N1CC[NH2+][C@@H](c2ccccc2C)C1 ZINC001301954475 809589667 /nfs/dbraw/zinc/58/96/67/809589667.db2.gz GWOOXHLFFOHTRZ-QGZVFWFLSA-N 1 1 286.419 3.070 20 30 CGEDMO CC#CC[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1C1CC1 ZINC001176061984 809613393 /nfs/dbraw/zinc/61/33/93/809613393.db2.gz MIOVWXMQWRXIDD-GOSISDBHSA-N 1 1 285.387 3.036 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1cccc(OC(F)F)c1 ZINC001176813653 809763899 /nfs/dbraw/zinc/76/38/99/809763899.db2.gz GPAYTHMUXPLTDL-LBPRGKRZSA-N 1 1 253.292 3.438 20 30 CGEDMO C#C[C@@H]1CCCC[N@@H+]1CCc1cccc2c1OC(F)(F)O2 ZINC001176832865 809764445 /nfs/dbraw/zinc/76/44/45/809764445.db2.gz KWQFRYJKISLELN-CYBMUJFWSA-N 1 1 293.313 3.038 20 30 CGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H](C3CCCC3)C2)cc1 ZINC001176932722 809769746 /nfs/dbraw/zinc/76/97/46/809769746.db2.gz PXYZARQTENPNSS-MOPGFXCFSA-N 1 1 298.430 3.494 20 30 CGEDMO C=CCCCN(CC)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001180032532 809968393 /nfs/dbraw/zinc/96/83/93/809968393.db2.gz MBOPYGXAYUBVRD-INIZCTEOSA-N 1 1 274.408 3.104 20 30 CGEDMO C=CC[C@@H](NC(=O)C[N@H+](C)C1CCCC1)c1ccccc1 ZINC001180630445 810014928 /nfs/dbraw/zinc/01/49/28/810014928.db2.gz JWJNPNCLLKESGX-QGZVFWFLSA-N 1 1 286.419 3.294 20 30 CGEDMO C=CCN1CC[C@@H]([N@H+](C)CC2CCC(C(C)C)CC2)C1=O ZINC001181244126 810043451 /nfs/dbraw/zinc/04/34/51/810043451.db2.gz NAHLEDFNELYQQN-OFLPRAFFSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[C@H]([NH2+][C@H]1CCC[C@@H](C2CC2)C1)C(=O)OCC ZINC001181826927 810075064 /nfs/dbraw/zinc/07/50/64/810075064.db2.gz IEJUVJUKILIWBA-PMPSAXMXSA-N 1 1 279.424 3.443 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1cccc2n[nH]cc21 ZINC001184034943 810175410 /nfs/dbraw/zinc/17/54/10/810175410.db2.gz JZQKJEFFOYMODG-UHFFFAOYSA-N 1 1 282.372 3.128 20 30 CGEDMO C=CCn1ncc2ccc(NCc3c(C)cc[nH+]c3N)cc21 ZINC001184064665 810176598 /nfs/dbraw/zinc/17/65/98/810176598.db2.gz DRFQINLSNZYLLJ-UHFFFAOYSA-N 1 1 293.374 3.120 20 30 CGEDMO C[N@H+]1CCC[C@H](C(=O)Nc2sc3ccccc3c2C#N)C1 ZINC001186351772 810331038 /nfs/dbraw/zinc/33/10/38/810331038.db2.gz QSNIYMPKVOXNIL-NSHDSACASA-N 1 1 299.399 3.053 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)F)[C@@H]2C1 ZINC001186644689 810354735 /nfs/dbraw/zinc/35/47/35/810354735.db2.gz LWCGVYOADKESOV-LSDHHAIUSA-N 1 1 298.446 3.238 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CC(C)C)[C@@H]2C1 ZINC001186685572 810356590 /nfs/dbraw/zinc/35/65/90/810356590.db2.gz MQLDAGUFOQSQKW-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)/C(C)=C\CC)[C@@H]2C1 ZINC001187101043 810384264 /nfs/dbraw/zinc/38/42/64/810384264.db2.gz HUJCOGYXWCKMRU-SUGGUGGASA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)/C=C\C(C)(C)C)[C@@H]2C1 ZINC001187365650 810396928 /nfs/dbraw/zinc/39/69/28/810396928.db2.gz AVRFKQMVMZMWNP-JIHRLENESA-N 1 1 290.451 3.088 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@H+](C[C@H](C)CC)C[C@H]21 ZINC001188056767 810446791 /nfs/dbraw/zinc/44/67/91/810446791.db2.gz ASJPSMRCILBRHF-OWCLPIDISA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)CC(C)C)C1 ZINC001188665586 810501985 /nfs/dbraw/zinc/50/19/85/810501985.db2.gz OZXYZAWVMRCQNZ-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CCCC3CC3)[C@@H]2C1 ZINC001188865522 810519547 /nfs/dbraw/zinc/51/95/47/810519547.db2.gz FIFSDABDWHCUDM-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)c2ccoc2)C1 ZINC001188851300 810520114 /nfs/dbraw/zinc/52/01/14/810520114.db2.gz DYSGZOFUBGSFRO-INIZCTEOSA-N 1 1 290.407 3.172 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[C@H]2C[N@@H+](CC=C(C)C)C[C@H]21 ZINC001188897891 810521831 /nfs/dbraw/zinc/52/18/31/810521831.db2.gz ZHPNWFSMGVYCPK-IXDOHACOSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)/C(C)=C\CC)C1 ZINC001189179627 810546963 /nfs/dbraw/zinc/54/69/63/810546963.db2.gz RQEOCQPJFMMFMU-RPZAIAHZSA-N 1 1 278.440 3.230 20 30 CGEDMO C=CCCC(=O)N1CC[C@@H]([N@H+](C)C[C@@H](C)CC(C)C)C1 ZINC001189318887 810558311 /nfs/dbraw/zinc/55/83/11/810558311.db2.gz RVOYRXNZTRLHFL-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C2C(C)(C)C2(C)C)C1 ZINC001189556441 810576066 /nfs/dbraw/zinc/57/60/66/810576066.db2.gz LEYUXAGEFBUDQJ-CQSZACIVSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)C2CC2)C1 ZINC001189546370 810576194 /nfs/dbraw/zinc/57/61/94/810576194.db2.gz BSBHMXMPKQWBMM-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CCC2CCC2)C1 ZINC001189564904 810578305 /nfs/dbraw/zinc/57/83/05/810578305.db2.gz IWIHRJSTSHAQRG-RDJZCZTQSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccoc2Cl)C1 ZINC001189866399 810592451 /nfs/dbraw/zinc/59/24/51/810592451.db2.gz LCOZWZSLTZNVBP-GFCCVEGCSA-N 1 1 296.798 3.046 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)CCCCCC)[C@@H]2C1 ZINC001190028137 810603297 /nfs/dbraw/zinc/60/32/97/810603297.db2.gz RVTBBIBGBZKUGR-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001190156700 810610965 /nfs/dbraw/zinc/61/09/65/810610965.db2.gz UUNMKLQVBASRPS-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)c2ccc3occc3c2)C1 ZINC001190278303 810616923 /nfs/dbraw/zinc/61/69/23/810616923.db2.gz FWDQQESSTODPBH-INIZCTEOSA-N 1 1 298.386 3.155 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C(CC=C)CC=C)C1 ZINC001190355292 810623752 /nfs/dbraw/zinc/62/37/52/810623752.db2.gz YCBDPAXBMUGTPY-QGZVFWFLSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@H]([N@H+](C)CCC(C)C)C1 ZINC001190388988 810625297 /nfs/dbraw/zinc/62/52/97/810625297.db2.gz OEYUEBMEZYQJSH-HNNXBMFYSA-N 1 1 280.456 3.168 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC001190582250 810635274 /nfs/dbraw/zinc/63/52/74/810635274.db2.gz UEZWJNBLYVOZKR-AWEZNQCLSA-N 1 1 272.392 3.174 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C23CCC(CC2)C3)C1 ZINC001190932614 810657371 /nfs/dbraw/zinc/65/73/71/810657371.db2.gz ADRFPCHKQCXIME-UPTPFMHGSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)C(CC)CC)C1 ZINC001191050285 810665950 /nfs/dbraw/zinc/66/59/50/810665950.db2.gz GBUWBRQGBKSLBM-ZBFHGGJFSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)C(CC)CC)C1 ZINC001191050632 810667024 /nfs/dbraw/zinc/66/70/24/810667024.db2.gz JTRSFSPUCVNKMU-ZBFHGGJFSA-N 1 1 280.456 3.168 20 30 CGEDMO N#Cc1ccnc(C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)c1 ZINC001191071515 810671185 /nfs/dbraw/zinc/67/11/85/810671185.db2.gz WTWJJWDKQMEATD-INIZCTEOSA-N 1 1 295.361 3.157 20 30 CGEDMO CCCCCCCCNC(=O)N[C@H]1CC[N@H+](C2CCC2)C1 ZINC001191077050 810672420 /nfs/dbraw/zinc/67/24/20/810672420.db2.gz PRACCTBEOWRBPF-HNNXBMFYSA-N 1 1 295.471 3.273 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC001191508638 810722062 /nfs/dbraw/zinc/72/20/62/810722062.db2.gz DMZCENQCXGVSAX-ZIAGYGMSSA-N 1 1 267.413 3.395 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@H]1C(=O)OC(C)(C)C ZINC001191520287 810722116 /nfs/dbraw/zinc/72/21/16/810722116.db2.gz FTEWAYLTXKQXAS-ZDUSSCGKSA-N 1 1 253.386 3.149 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)C2CCC2)C1 ZINC001191577572 810725762 /nfs/dbraw/zinc/72/57/62/810725762.db2.gz UHJYNZGKSMHIAO-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C2(C)CCCC2)C1 ZINC001191606931 810727497 /nfs/dbraw/zinc/72/74/97/810727497.db2.gz LAHQODHPDBUSSZ-JKSUJKDBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@@H]([N@H+](C)CC/C=C\CCC)C1 ZINC001191719126 810733165 /nfs/dbraw/zinc/73/31/65/810733165.db2.gz IGMMSGSLHILXDB-ZBTGYSDGSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(C)co2)C1 ZINC001191838322 810749504 /nfs/dbraw/zinc/74/95/04/810749504.db2.gz JARJSYXAWDOWHL-LSDHHAIUSA-N 1 1 290.407 3.089 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[C@H]([N@@H+](C)CCCCCF)C1 ZINC001191889039 810753609 /nfs/dbraw/zinc/75/36/09/810753609.db2.gz ADVUNQMQWADACK-CVEARBPZSA-N 1 1 298.446 3.261 20 30 CGEDMO C=CCCCC(=O)N1CC[C@@H]([N@H+](C)CC(CC)CC)C1 ZINC001192093020 810767964 /nfs/dbraw/zinc/76/79/64/810767964.db2.gz FMDQWQSBRXNZSI-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C2(C)CC=CC2)C1 ZINC001192153822 810771121 /nfs/dbraw/zinc/77/11/21/810771121.db2.gz WCLGCIZUOZFJJG-CVEARBPZSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@H]([N@@H+](C)CC=C(C)C)C2)CCC1 ZINC001192190478 810773647 /nfs/dbraw/zinc/77/36/47/810773647.db2.gz RBEAXBUNGNLEQH-INIZCTEOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C1CCC(C(=O)N2CC[C@@H]([N@H+](C)CCCC)C2)CC1 ZINC001192181617 810773731 /nfs/dbraw/zinc/77/37/31/810773731.db2.gz WVQBZISMKPMRAN-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC1(C(=O)N2CC[C@H]([N@@H+](C)CC3CCC3)C2)CC1 ZINC001192206098 810775232 /nfs/dbraw/zinc/77/52/32/810775232.db2.gz LVNCXXGRSQWHSY-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC1(C(=O)N2CC[C@@H]([N@@H+](C)CC=C(C)C)C2)CC1 ZINC001192206561 810775840 /nfs/dbraw/zinc/77/58/40/810775840.db2.gz PNCZUTQAPKEUBH-MRXNPFEDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001192239217 810779941 /nfs/dbraw/zinc/77/99/41/810779941.db2.gz SXVMGRPTLUXMGD-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(C=C)cc2)C1 ZINC001192464614 810800946 /nfs/dbraw/zinc/80/09/46/810800946.db2.gz PQIQKFWLFLYKOU-GOSISDBHSA-N 1 1 298.430 3.442 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(C=C)cc2)C1 ZINC001192464615 810801027 /nfs/dbraw/zinc/80/10/27/810801027.db2.gz PQIQKFWLFLYKOU-SFHVURJKSA-N 1 1 298.430 3.442 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CCC)C(C)C)C1 ZINC001192611801 810810976 /nfs/dbraw/zinc/81/09/76/810810976.db2.gz RJEHUGDIZJOWAE-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CCC)C(C)C)C1 ZINC001192611799 810810989 /nfs/dbraw/zinc/81/09/89/810810989.db2.gz RJEHUGDIZJOWAE-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO C#CCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)CCCCC)C1 ZINC001192688664 810816365 /nfs/dbraw/zinc/81/63/65/810816365.db2.gz XOOBGJPSLREXNB-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO CC[N@@H+](Cc1cc(C#N)ccn1)[C@@H]1CCCC[C@@H]1C ZINC001193412192 810885858 /nfs/dbraw/zinc/88/58/58/810885858.db2.gz AEHSHYXECGAZIF-XJKSGUPXSA-N 1 1 257.381 3.354 20 30 CGEDMO CC[C@@H]1CCCC[C@H]1[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC001193459471 810890610 /nfs/dbraw/zinc/89/06/10/810890610.db2.gz DAKJTTCCUZORTA-OWCLPIDISA-N 1 1 278.440 3.332 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H](CC)C(C)C)C1 ZINC001193570414 810911612 /nfs/dbraw/zinc/91/16/12/810911612.db2.gz JNMUTEGFIAJXEK-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO CC[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)[C@H]1C ZINC001193606055 810918546 /nfs/dbraw/zinc/91/85/46/810918546.db2.gz MTGVRJZBENVSMX-ZFWWWQNUSA-N 1 1 285.391 3.007 20 30 CGEDMO CCCCCCCCC(=O)N1CC[C@H]([N@@H+](C)CC)C1 ZINC001193640234 810926164 /nfs/dbraw/zinc/92/61/64/810926164.db2.gz DYQFBWAIVBWVLF-HNNXBMFYSA-N 1 1 268.445 3.290 20 30 CGEDMO CCCCCCCOC(=O)N[C@H]1CC[N@@H+](C)C[C@H]1C ZINC001194020459 811003148 /nfs/dbraw/zinc/00/31/48/811003148.db2.gz YXPQUXPHGVPEPR-KGLIPLIRSA-N 1 1 270.417 3.023 20 30 CGEDMO C=CCCC[N@H+]1CCCN(C(=O)C2CCCCC2)CC1 ZINC001194674415 811104332 /nfs/dbraw/zinc/10/43/32/811104332.db2.gz WPXNOZSCDTUADZ-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)CCSCC)CC1 ZINC001195016866 811186527 /nfs/dbraw/zinc/18/65/27/811186527.db2.gz LEOYTLQYTUPAPZ-HNNXBMFYSA-N 1 1 298.496 3.019 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001195233184 811229393 /nfs/dbraw/zinc/22/93/93/811229393.db2.gz ICNXCURFXOXRQW-LSDHHAIUSA-N 1 1 294.439 3.284 20 30 CGEDMO C=CCCC[N@H+]1CCCN(C(=O)C2=CCCCCC2)CC1 ZINC001195619806 811270818 /nfs/dbraw/zinc/27/08/18/811270818.db2.gz DNIUUPATZSUQAP-UHFFFAOYSA-N 1 1 290.451 3.377 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C2CC(C)(C)C2)CC1 ZINC001195702743 811280193 /nfs/dbraw/zinc/28/01/93/811280193.db2.gz KGXHGECFXLFBOO-HNNXBMFYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)CC2(C)CCCC2)CC1 ZINC001195709543 811280221 /nfs/dbraw/zinc/28/02/21/811280221.db2.gz ALODFILWYBISAL-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[N@H+](CC2CC(C)C2)CC1 ZINC001195996656 811309906 /nfs/dbraw/zinc/30/99/06/811309906.db2.gz BUPOZAZPSGVILP-UHFFFAOYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[N@@H+](CCCCCF)CC1 ZINC001195990283 811309954 /nfs/dbraw/zinc/30/99/54/811309954.db2.gz PXOHXIMFQHKIJY-UHFFFAOYSA-N 1 1 298.446 3.263 20 30 CGEDMO C=CCCCC(=O)N1CCC[N@H+](CCCCC)CC1 ZINC001197000229 811389441 /nfs/dbraw/zinc/38/94/41/811389441.db2.gz MVPLRGRHQBQMMF-UHFFFAOYSA-N 1 1 266.429 3.067 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC001197084702 811397352 /nfs/dbraw/zinc/39/73/52/811397352.db2.gz XJCYTJXILLDQIZ-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C(C)(C)CC=C)CC1 ZINC001197291355 811411932 /nfs/dbraw/zinc/41/19/32/811411932.db2.gz AVDHQHPNKZGFQZ-INIZCTEOSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)[C@@H](C)[C@H](C)C(C)(C)C)CC1 ZINC001197428739 811422311 /nfs/dbraw/zinc/42/23/11/811422311.db2.gz ZPRVCWTWBOJWSA-HOTGVXAUSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)[C@](C)(CC)CCC)CC1 ZINC001197579606 811431721 /nfs/dbraw/zinc/43/17/21/811431721.db2.gz ZURSJBOVYCCRAQ-QGZVFWFLSA-N 1 1 280.456 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)C[C@@H](CC)C(C)C)CC1 ZINC001197879645 811460405 /nfs/dbraw/zinc/46/04/05/811460405.db2.gz KSZZMRVYQXJUHP-MRXNPFEDSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1cn(C)nc1C(F)F ZINC001198406272 811498506 /nfs/dbraw/zinc/49/85/06/811498506.db2.gz HUNORFNCNZTPIH-LBPRGKRZSA-N 1 1 269.339 3.288 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1OC ZINC001198414370 811499667 /nfs/dbraw/zinc/49/96/67/811499667.db2.gz OMZBTTYJQDKCND-INIZCTEOSA-N 1 1 270.376 3.497 20 30 CGEDMO C#C[C@H]1CCCC[N@H+]1Cc1cc(-c2ccc(F)cc2)no1 ZINC001198527211 811513859 /nfs/dbraw/zinc/51/38/59/811513859.db2.gz ZGTVRUNICDSIAJ-HNNXBMFYSA-N 1 1 284.334 3.468 20 30 CGEDMO C#C[C@H]1CCCC[N@@H+]1Cc1cc(-c2ccc(F)cc2)no1 ZINC001198527211 811513862 /nfs/dbraw/zinc/51/38/62/811513862.db2.gz ZGTVRUNICDSIAJ-HNNXBMFYSA-N 1 1 284.334 3.468 20 30 CGEDMO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](CC(C)(C)C)C2 ZINC001201434400 811844764 /nfs/dbraw/zinc/84/47/64/811844764.db2.gz JHCLNAZFUSZASP-DOTOQJQBSA-N 1 1 281.440 3.106 20 30 CGEDMO CC(C)C[N@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001201478935 811856579 /nfs/dbraw/zinc/85/65/79/811856579.db2.gz QTNAEHRSNUVBQX-INIZCTEOSA-N 1 1 258.365 3.057 20 30 CGEDMO COc1cc(Nc2ccc(C#N)cc2F)[nH+]cc1C ZINC001201566556 811907326 /nfs/dbraw/zinc/90/73/26/811907326.db2.gz HPGZTHLBMIRWSF-UHFFFAOYSA-N 1 1 257.268 3.153 20 30 CGEDMO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](CCC(C)C)C2 ZINC001201618365 811921528 /nfs/dbraw/zinc/92/15/28/811921528.db2.gz UZHJEKKJGRGXLH-DLBZAZTESA-N 1 1 281.440 3.106 20 30 CGEDMO CC(C)CC[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001201624263 811923570 /nfs/dbraw/zinc/92/35/70/811923570.db2.gz QVTMOTVBNNSPNC-INIZCTEOSA-N 1 1 272.392 3.448 20 30 CGEDMO CCCCCCC[N@@H+]1CCc2ccc(=O)[nH]c2CC1 ZINC001201798146 811966054 /nfs/dbraw/zinc/96/60/54/811966054.db2.gz QIAPZOWCGBPXBI-UHFFFAOYSA-N 1 1 262.397 3.158 20 30 CGEDMO CCCCCCCCC[N@@H+]1CCO[C@H](C(C)=O)C1 ZINC001201852905 811972642 /nfs/dbraw/zinc/97/26/42/811972642.db2.gz RFKHJMBOAPDXSO-HNNXBMFYSA-N 1 1 255.402 3.027 20 30 CGEDMO CCCCCCCCC[N@H+]1CCO[C@H](C(C)=O)C1 ZINC001201852905 811972648 /nfs/dbraw/zinc/97/26/48/811972648.db2.gz RFKHJMBOAPDXSO-HNNXBMFYSA-N 1 1 255.402 3.027 20 30 CGEDMO CCCCCCCCC[N@H+]1CCN(C(C)=O)[C@@H](C)C1 ZINC001201852779 811972771 /nfs/dbraw/zinc/97/27/71/811972771.db2.gz LHTHNIJCJCCOIT-HNNXBMFYSA-N 1 1 268.445 3.290 20 30 CGEDMO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](CCC(C)(C)C)C2 ZINC001202073280 812009512 /nfs/dbraw/zinc/00/95/12/812009512.db2.gz LVUADHXLQBRNHR-FUHWJXTLSA-N 1 1 295.467 3.496 20 30 CGEDMO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](CCC(C)(C)C)C2 ZINC001202077848 812012252 /nfs/dbraw/zinc/01/22/52/812012252.db2.gz MJRWVPUFLDQNGC-WBVHZDCISA-N 1 1 281.440 3.249 20 30 CGEDMO C#CC[N@@H+](Cc1c(C)nn(C)c1C)[C@@H]1CCc2ccccc21 ZINC001203059706 812230872 /nfs/dbraw/zinc/23/08/72/812230872.db2.gz ILTVHJDAFLFJFK-LJQANCHMSA-N 1 1 293.414 3.160 20 30 CGEDMO C#CC[N@H+](Cc1c(C)nn(C)c1C)[C@@H]1CCc2ccccc21 ZINC001203059706 812230876 /nfs/dbraw/zinc/23/08/76/812230876.db2.gz ILTVHJDAFLFJFK-LJQANCHMSA-N 1 1 293.414 3.160 20 30 CGEDMO C=CC[NH+]1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC001203393770 812340275 /nfs/dbraw/zinc/34/02/75/812340275.db2.gz BMHNMAKEPNKEQT-UHFFFAOYSA-N 1 1 285.218 3.297 20 30 CGEDMO COc1cc(C)c(C[N@H+]2CCC[C@H](C#N)CC2)cc1C ZINC001203760682 812456514 /nfs/dbraw/zinc/45/65/14/812456514.db2.gz RRWYAULTNGOZQE-HNNXBMFYSA-N 1 1 272.392 3.438 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cccc(Br)c2)C1 ZINC001203768590 812459427 /nfs/dbraw/zinc/45/94/27/812459427.db2.gz FJCAYUDFEQMQRB-LBPRGKRZSA-N 1 1 278.193 3.294 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(O)c(O)c1 ZINC001203880340 812477940 /nfs/dbraw/zinc/47/79/40/812477940.db2.gz OLWNKOBQOKHACL-UHFFFAOYSA-N 1 1 269.344 3.286 20 30 CGEDMO C[C@H]1C(=O)CC[N@H+](Cc2ccc(C#N)cc2)C12CCCC2 ZINC001203907378 812487818 /nfs/dbraw/zinc/48/78/18/812487818.db2.gz YCLHVGVWLOVLAY-AWEZNQCLSA-N 1 1 282.387 3.282 20 30 CGEDMO C[C@H]1C(=O)CC[N@@H+](Cc2ccc(C#N)cc2)C12CCCC2 ZINC001203907378 812487824 /nfs/dbraw/zinc/48/78/24/812487824.db2.gz YCLHVGVWLOVLAY-AWEZNQCLSA-N 1 1 282.387 3.282 20 30 CGEDMO C=CC[N@H+](Cc1ccc(NC(C)=O)cc1)C(C)(C)C ZINC001203929259 812494961 /nfs/dbraw/zinc/49/49/61/812494961.db2.gz FILAOHVAPLZQCU-UHFFFAOYSA-N 1 1 260.381 3.432 20 30 CGEDMO C[C@H]1CN(Cc2ccccc2C#N)CC[N@H+]1C1CCCCC1 ZINC001204375312 812622701 /nfs/dbraw/zinc/62/27/01/812622701.db2.gz XRIKLNFXSXYHBR-INIZCTEOSA-N 1 1 297.446 3.397 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@@H](CCC)OC ZINC001204487659 812654307 /nfs/dbraw/zinc/65/43/07/812654307.db2.gz DJYBGLHEGZEZAM-MRXNPFEDSA-N 1 1 263.356 3.076 20 30 CGEDMO CC(C)=CCO[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001205025912 812831275 /nfs/dbraw/zinc/83/12/75/812831275.db2.gz PLSIPTSLEMGBMS-QGZVFWFLSA-N 1 1 270.376 3.115 20 30 CGEDMO C[C@H]1CCN(Cc2cccc(Cl)c2C#N)CC[C@H]1C[NH3+] ZINC001205617957 813029674 /nfs/dbraw/zinc/02/96/74/813029674.db2.gz PYPQLLVGEXPQBL-STQMWFEESA-N 1 1 291.826 3.018 20 30 CGEDMO C[C@H]1CCN(Cc2c(Cl)cccc2C#N)CC[C@H]1C[NH3+] ZINC001205626672 813031939 /nfs/dbraw/zinc/03/19/39/813031939.db2.gz HWMIAPDHVAWGJZ-STQMWFEESA-N 1 1 291.826 3.018 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2)C1 ZINC001205748948 813066707 /nfs/dbraw/zinc/06/67/07/813066707.db2.gz CTODKMZKNAUXSC-HLLBOEOZSA-N 1 1 286.419 3.091 20 30 CGEDMO C=C(C)COc1ccccc1CN1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205901264 813122268 /nfs/dbraw/zinc/12/22/68/813122268.db2.gz CCMKBPOWNCEUDQ-HOTGVXAUSA-N 1 1 288.435 3.201 20 30 CGEDMO C[C@H]1CN(Cc2c(Cl)cccc2C#N)CCC[C@H]1C[NH3+] ZINC001206012048 813165590 /nfs/dbraw/zinc/16/55/90/813165590.db2.gz IDVYPEABWVYPNV-STQMWFEESA-N 1 1 291.826 3.018 20 30 CGEDMO C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCCCN1CC[NH+](C)CC1 ZINC001206594934 813369189 /nfs/dbraw/zinc/36/91/89/813369189.db2.gz CUUIUAVZOMCLNO-SQNIBIBYSA-N 1 1 294.483 3.021 20 30 CGEDMO C=C[C@H](CCCCCC)OCCCN1CC[NH+](C)CC1 ZINC001206595847 813369479 /nfs/dbraw/zinc/36/94/79/813369479.db2.gz JIAUSSDCMQTICJ-QGZVFWFLSA-N 1 1 282.472 3.166 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1Nc1ccsc1C#N ZINC001206724065 813407938 /nfs/dbraw/zinc/40/79/38/813407938.db2.gz WAQBDVZHXJKONK-UHFFFAOYSA-N 1 1 258.350 3.133 20 30 CGEDMO Cc1cc(C#N)ccc1Nc1c[nH+]c(N(C)C)cc1C ZINC001206737165 813413575 /nfs/dbraw/zinc/41/35/75/813413575.db2.gz PKFYMIYGWFFJSQ-UHFFFAOYSA-N 1 1 266.348 3.380 20 30 CGEDMO C=C(C)CO[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001206744429 813417428 /nfs/dbraw/zinc/41/74/28/813417428.db2.gz UBLGHXYVLUUMFP-DOTOQJQBSA-N 1 1 259.393 3.490 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC(C)C2)C1 ZINC001206817400 813445016 /nfs/dbraw/zinc/44/50/16/813445016.db2.gz OSPYEUITRNXWIH-MNAZLIDISA-N 1 1 294.483 3.439 20 30 CGEDMO Cc1cc(C[NH+]2CCC(Cc3ccc(C#N)cc3)CC2)no1 ZINC001206819043 813445229 /nfs/dbraw/zinc/44/52/29/813445229.db2.gz SHYWQBGOWACMMV-UHFFFAOYSA-N 1 1 295.386 3.309 20 30 CGEDMO CCCCCCC[N@@H+](C)Cc1cncc(OC)c1 ZINC001206994992 813461516 /nfs/dbraw/zinc/46/15/16/813461516.db2.gz IIBJARCRCADITK-UHFFFAOYSA-N 1 1 250.386 3.492 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C(C)C)C1 ZINC001207132606 813494824 /nfs/dbraw/zinc/49/48/24/813494824.db2.gz VHQDHUDDSJKKJQ-HUUCEWRRSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](C[C@H](C)CC)C[C@H]1C ZINC001207165217 813502539 /nfs/dbraw/zinc/50/25/39/813502539.db2.gz DCEQGTSYNHTXQJ-RBSFLKMASA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCN(CC[N@H+](CC)CCC)C(=O)OC(C)(C)C ZINC001207198391 813515627 /nfs/dbraw/zinc/51/56/27/813515627.db2.gz CICJVJBGMNELPD-UHFFFAOYSA-N 1 1 270.417 3.141 20 30 CGEDMO O=C1C=C2C[N@@H+](CC3CCC(F)(F)CC3)CCC2S1 ZINC001207345065 813544175 /nfs/dbraw/zinc/54/41/75/813544175.db2.gz ABLAZVUDVZCKHJ-LBPRGKRZSA-N 1 1 287.375 3.086 20 30 CGEDMO C[C@@H](CCCC(C)(C)O)CC[N@H+]1CCC[C@@H](C#N)C1 ZINC001207678085 813632276 /nfs/dbraw/zinc/63/22/76/813632276.db2.gz DIGPAPDFIFMLSP-GJZGRUSLSA-N 1 1 266.429 3.189 20 30 CGEDMO C=CCCCCCCCCC[N@H+](C)CC(=O)N(C)C ZINC001207899412 813667309 /nfs/dbraw/zinc/66/73/09/813667309.db2.gz YYQFDTNVMAXVOH-UHFFFAOYSA-N 1 1 268.445 3.313 20 30 CGEDMO CCCCCCCC[N@@H+](C)C[C@H]1COC(C)(C)O1 ZINC001207927714 813671910 /nfs/dbraw/zinc/67/19/10/813671910.db2.gz ALVGIEARYZTGRS-AWEZNQCLSA-N 1 1 257.418 3.430 20 30 CGEDMO CCCCCCC/C=C/C[N@@H+]1CCO[C@@H]2C[C@@H](CO)C[C@@H]21 ZINC001208119700 813697892 /nfs/dbraw/zinc/69/78/92/813697892.db2.gz GBQRCCWWUGUIDL-MNMXQPLXSA-N 1 1 295.467 3.375 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CCO[C@@H]2C[C@@H](CO)C[C@@H]21 ZINC001208119700 813697895 /nfs/dbraw/zinc/69/78/95/813697895.db2.gz GBQRCCWWUGUIDL-MNMXQPLXSA-N 1 1 295.467 3.375 20 30 CGEDMO CCCCCCC/C=C/C[NH+]1CCN(C(C)=O)CC1 ZINC001208120620 813697994 /nfs/dbraw/zinc/69/79/94/813697994.db2.gz SEDNLCHIIBGAEG-MDZDMXLPSA-N 1 1 266.429 3.067 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CC[C@H](F)[C@H](O)C1 ZINC001208120964 813698709 /nfs/dbraw/zinc/69/87/09/813698709.db2.gz XDZYDGQEKYMUAF-MATWNZDUSA-N 1 1 257.393 3.308 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H]3CCCN(C)[C@@H]3C2)CC1 ZINC001208178309 813728761 /nfs/dbraw/zinc/72/87/61/813728761.db2.gz PXPZCBCDEADLRH-KZNAEPCWSA-N 1 1 274.452 3.315 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@](C)(C(=O)OC)C2)CC1 ZINC001208179185 813731042 /nfs/dbraw/zinc/73/10/42/813731042.db2.gz QHDQPSFWKIUWIH-NVXWUHKLSA-N 1 1 277.408 3.174 20 30 CGEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](CCC1CCCC1)C2 ZINC001208694882 813801226 /nfs/dbraw/zinc/80/12/26/813801226.db2.gz CVAYBBFREHKUOK-ZWKOTPCHSA-N 1 1 293.451 3.393 20 30 CGEDMO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](CCCC(C)C)CCO2 ZINC001208735989 813824395 /nfs/dbraw/zinc/82/43/95/813824395.db2.gz VBZKANDTKXXXKA-QZTJIDSGSA-N 1 1 295.467 3.496 20 30 CGEDMO N#Cc1cccc(CCC[N@@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)c1 ZINC001208846101 813865084 /nfs/dbraw/zinc/86/50/84/813865084.db2.gz WXAZMEDRNDIIRB-MSOLQXFVSA-N 1 1 296.414 3.324 20 30 CGEDMO Cc1ccc(C[N@@H+](C)CCCc2cccc(C#N)c2)cn1 ZINC001208853943 813867765 /nfs/dbraw/zinc/86/77/65/813867765.db2.gz CKZDDBOWYBNJKR-UHFFFAOYSA-N 1 1 279.387 3.326 20 30 CGEDMO N#Cc1ccc(CCC[N@@H+]2CCC[C@@H](CF)C2)cc1 ZINC001208857449 813868426 /nfs/dbraw/zinc/86/84/26/813868426.db2.gz FICVEAMHAACHKE-INIZCTEOSA-N 1 1 260.356 3.172 20 30 CGEDMO C[C@@]1(F)CC[N@@H+](CCCc2ccc(C#N)cc2)C[C@@H]1F ZINC001208855781 813868481 /nfs/dbraw/zinc/86/84/81/813868481.db2.gz HIUJWMVNLZJUMU-JKSUJKDBSA-N 1 1 278.346 3.263 20 30 CGEDMO CC[N@@H+](CCCc1ccc(C#N)cc1)Cc1cccnc1 ZINC001208858374 813868630 /nfs/dbraw/zinc/86/86/30/813868630.db2.gz KNULRAOVVNHUOT-UHFFFAOYSA-N 1 1 279.387 3.408 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001208867334 813873662 /nfs/dbraw/zinc/87/36/62/813873662.db2.gz BZVXSVGQAXWJSL-RRFJBIMHSA-N 1 1 280.456 3.071 20 30 CGEDMO N#Cc1ccc(CCC[N@@H+](CC2CC2)C2CC2)cc1 ZINC001208864764 813874469 /nfs/dbraw/zinc/87/44/69/813874469.db2.gz SFSRZIHNRODBLV-UHFFFAOYSA-N 1 1 254.377 3.365 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](CC2CCN(c3ccccc3)CC2)C1 ZINC001208911579 813897265 /nfs/dbraw/zinc/89/72/65/813897265.db2.gz YEEBMRLLWZHHRN-GOSISDBHSA-N 1 1 283.419 3.139 20 30 CGEDMO C[C@H]1CCC[N@@H+](CCc2ccc(C#N)cc2)C[C@H]1C ZINC001208921102 813901359 /nfs/dbraw/zinc/90/13/59/813901359.db2.gz ZDPFHGFODISPHX-LSDHHAIUSA-N 1 1 256.393 3.469 20 30 CGEDMO N#CC[C@@H]1CCCN(C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208947845 813906087 /nfs/dbraw/zinc/90/60/87/813906087.db2.gz DNXIBWFAGOMJFW-RBUKOAKNSA-N 1 1 297.446 3.134 20 30 CGEDMO N#CC[C@@H]1CCCN(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208947845 813906096 /nfs/dbraw/zinc/90/60/96/813906096.db2.gz DNXIBWFAGOMJFW-RBUKOAKNSA-N 1 1 297.446 3.134 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208947845 813906105 /nfs/dbraw/zinc/90/61/05/813906105.db2.gz DNXIBWFAGOMJFW-RBUKOAKNSA-N 1 1 297.446 3.134 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208947845 813906115 /nfs/dbraw/zinc/90/61/15/813906115.db2.gz DNXIBWFAGOMJFW-RBUKOAKNSA-N 1 1 297.446 3.134 20 30 CGEDMO COC(=O)CCCCCCCCC[N@H+]1CC[C@@H](C#N)C1 ZINC001209098746 813932464 /nfs/dbraw/zinc/93/24/64/813932464.db2.gz UYNIHNMZBWQZGY-HNNXBMFYSA-N 1 1 280.412 3.126 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC001209118478 813939845 /nfs/dbraw/zinc/93/98/45/813939845.db2.gz WQFAMSPGQPJKLY-CYBMUJFWSA-N 1 1 282.309 3.483 20 30 CGEDMO N#C[C@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC001209118478 813939851 /nfs/dbraw/zinc/93/98/51/813939851.db2.gz WQFAMSPGQPJKLY-CYBMUJFWSA-N 1 1 282.309 3.483 20 30 CGEDMO C=CCCC[N@H+](CCCC(=O)OC)Cc1ccccc1 ZINC001209156932 813950047 /nfs/dbraw/zinc/95/00/47/813950047.db2.gz KSDYJIPYGIIVLX-UHFFFAOYSA-N 1 1 275.392 3.408 20 30 CGEDMO C=CCCC[N@H+]1CCc2ncnc(-c3ccoc3)c2CC1 ZINC001209162150 813954231 /nfs/dbraw/zinc/95/42/31/813954231.db2.gz SOKRNIMHAPOHTC-UHFFFAOYSA-N 1 1 283.375 3.103 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@]2(c3ccccc3OC2=O)C1(C)C ZINC001209164232 813954741 /nfs/dbraw/zinc/95/47/41/813954741.db2.gz VGFPTMMJEQOEQI-SFHVURJKSA-N 1 1 285.387 3.294 20 30 CGEDMO CCCCCCC[N@@H+](C)CC1COC(C)(C)OC1 ZINC001209196703 813963143 /nfs/dbraw/zinc/96/31/43/813963143.db2.gz MMAZNGCHOVTIRG-UHFFFAOYSA-N 1 1 257.418 3.288 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@@H](Oc2cccnc2)C1 ZINC001209202696 813966366 /nfs/dbraw/zinc/96/63/66/813966366.db2.gz NKSQYBCFMXQPOV-MRXNPFEDSA-N 1 1 260.381 3.281 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@@H](n2cc(Br)cn2)C1 ZINC001209208155 813968237 /nfs/dbraw/zinc/96/82/37/813968237.db2.gz KQEGUEQJTWNQHA-CYBMUJFWSA-N 1 1 298.228 3.249 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)CCCCC)C1 ZINC001209209334 813969704 /nfs/dbraw/zinc/96/97/04/813969704.db2.gz UNYYAACZTFSEHF-BZUAXINKSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+](CCCC1OCCO1)Cc1ccccc1 ZINC001209313992 813998506 /nfs/dbraw/zinc/99/85/06/813998506.db2.gz ZMIQRDFHWQAOKL-UHFFFAOYSA-N 1 1 275.392 3.218 20 30 CGEDMO C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001209422240 814024502 /nfs/dbraw/zinc/02/45/02/814024502.db2.gz UNOYDIPYIDXEGL-FRFSOERESA-N 1 1 270.376 3.057 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](Oc2ncccc2OC)C1 ZINC001209432724 814033236 /nfs/dbraw/zinc/03/32/36/814033236.db2.gz JKTCJEJAIGUNFK-HNNXBMFYSA-N 1 1 290.407 3.290 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)C2CCC2)C1 ZINC001209433112 814033911 /nfs/dbraw/zinc/03/39/11/814033911.db2.gz QKWJRJFFLHIXEV-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCCCC[N@@H+](C)CC(=O)OCc1ccccc1 ZINC001209432924 814034087 /nfs/dbraw/zinc/03/40/87/814034087.db2.gz NOXLVOAKEMKUHV-UHFFFAOYSA-N 1 1 275.392 3.408 20 30 CGEDMO C=CCCCCC[N@H+](C)CC(=O)OCc1ccccc1 ZINC001209432924 814034093 /nfs/dbraw/zinc/03/40/93/814034093.db2.gz NOXLVOAKEMKUHV-UHFFFAOYSA-N 1 1 275.392 3.408 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)[C@@H]2C1 ZINC001209433400 814034834 /nfs/dbraw/zinc/03/48/34/814034834.db2.gz VRCSVQHICYQGCJ-LSDHHAIUSA-N 1 1 294.439 3.284 20 30 CGEDMO C=CCCCCCC[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC001209440509 814041405 /nfs/dbraw/zinc/04/14/05/814041405.db2.gz LMIFSCNFUIMKJP-HNNXBMFYSA-N 1 1 262.401 3.052 20 30 CGEDMO C=CCCCCCCC[N@H+]1CCCC2(C1)OCCO2 ZINC001209440824 814041454 /nfs/dbraw/zinc/04/14/54/814041454.db2.gz DVMXEIFBZZBMSN-UHFFFAOYSA-N 1 1 267.413 3.352 20 30 CGEDMO C=CCCCCCC[N@@H+]1CCC[C@H](CC(=O)OC)C1 ZINC001209441463 814041691 /nfs/dbraw/zinc/04/16/91/814041691.db2.gz WZURTANHWIZRRC-OAHLLOKOSA-N 1 1 267.413 3.398 20 30 CGEDMO C=CCCCCCCCC[N@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001209443537 814043393 /nfs/dbraw/zinc/04/33/93/814043393.db2.gz UXSOZYHSOMWKDK-GJZGRUSLSA-N 1 1 257.393 3.308 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cc2c(cn1)OCCC2 ZINC001209509498 814069810 /nfs/dbraw/zinc/06/98/10/814069810.db2.gz DFFXNBKOTGQODZ-UHFFFAOYSA-N 1 1 260.381 3.195 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@@H](Oc3ccc(C#N)cc3)C2)[nH]1 ZINC001209575611 814088729 /nfs/dbraw/zinc/08/87/29/814088729.db2.gz JMUURICBLJNKSB-GOSISDBHSA-N 1 1 295.386 3.238 20 30 CGEDMO N#Cc1c(F)cccc1Nc1ccc2[nH]c[nH+]c2c1 ZINC001209848331 814165643 /nfs/dbraw/zinc/16/56/43/814165643.db2.gz KEONJZBMUOGVJM-UHFFFAOYSA-N 1 1 252.252 3.317 20 30 CGEDMO COc1ccc(C#N)cc1Nc1ccc2[nH]c[nH+]c2c1 ZINC001209849047 814167446 /nfs/dbraw/zinc/16/74/46/814167446.db2.gz UTJYBTAFFRXLKO-UHFFFAOYSA-N 1 1 264.288 3.187 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CCCCC)C(C)C)C1 ZINC001210112067 814295831 /nfs/dbraw/zinc/29/58/31/814295831.db2.gz RQDATDJNUKMLQK-IXDOHACOSA-N 1 1 294.483 3.461 20 30 CGEDMO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)CCCCC)C1 ZINC001211217699 814853270 /nfs/dbraw/zinc/85/32/70/814853270.db2.gz FFSJWJYRURWLKG-BRWVUGGUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[C@@H](Oc1nc(CC)nc2c1C[NH2+]C2)c1ccccc1 ZINC001218304042 816158540 /nfs/dbraw/zinc/15/85/40/816158540.db2.gz BFYWOIIOEXQVPY-MRXNPFEDSA-N 1 1 295.386 3.338 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)CC)[C@@H]2C1 ZINC001221278813 816308857 /nfs/dbraw/zinc/30/88/57/816308857.db2.gz HNBBGRYHNLZFQO-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)CCCC)[C@@H]2C1 ZINC001221301590 816309135 /nfs/dbraw/zinc/30/91/35/816309135.db2.gz VGKJCVYACIAPFH-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[C@@H](C)CCC)[C@@H]2C1 ZINC001221578125 816321096 /nfs/dbraw/zinc/32/10/96/816321096.db2.gz ULEFMBLQABYYRO-GVDBMIGSSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCC(=O)N1C[C@H]2CC[N@H+](CCCC(C)C)C[C@H]21 ZINC001221782683 816328266 /nfs/dbraw/zinc/32/82/66/816328266.db2.gz JNTNHDLPMJSDTN-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCC(=O)N1C[C@H]2CC[N@@H+](CC3CCCC3)C[C@H]21 ZINC001221781301 816328347 /nfs/dbraw/zinc/32/83/47/816328347.db2.gz QZEDZPABCDXLNN-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)CC(C)C)[C@@H]2C1 ZINC001221940241 816337082 /nfs/dbraw/zinc/33/70/82/816337082.db2.gz BLALRZPNZQFSCM-BRWVUGGUSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)CCCC)C[C@@H]21 ZINC001222290496 816398117 /nfs/dbraw/zinc/39/81/17/816398117.db2.gz GTFJCWYFNCWARU-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC)CCCC)C[C@@H]21 ZINC001222310535 816404730 /nfs/dbraw/zinc/40/47/30/816404730.db2.gz QDFWPVZVUQWWFB-ZACQAIPSSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCn1cc(-c2cccc(C(=[NH2+])OCC)c2)cn1 ZINC001222400298 816433459 /nfs/dbraw/zinc/43/34/59/816433459.db2.gz MKKHBLIFBZPXQT-UHFFFAOYSA-N 1 1 255.321 3.098 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H](C)CCC)C[C@@H]21 ZINC001222407573 816436754 /nfs/dbraw/zinc/43/67/54/816436754.db2.gz XXKCSMAYSJUETJ-ZACQAIPSSA-N 1 1 292.467 3.312 20 30 CGEDMO CCCCCCCCCN1CCNC[C@]2(CCCC[NH2+]2)C1 ZINC001222668962 816495306 /nfs/dbraw/zinc/49/53/06/816495306.db2.gz PFOZNZCNEZHVAW-GOSISDBHSA-N 1 1 295.515 3.155 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CC(C)(C)C=C)C[C@@H]21 ZINC001222775629 816515911 /nfs/dbraw/zinc/51/59/11/816515911.db2.gz FFYNQDGGBYNKPR-CVEARBPZSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)C=C(CC)CC)CC1 ZINC001222805442 816520410 /nfs/dbraw/zinc/52/04/10/816520410.db2.gz QQCKPCWWYHYWMU-UHFFFAOYSA-N 1 1 298.858 3.314 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC)CCC)C[C@@H]21 ZINC001223756372 816677300 /nfs/dbraw/zinc/67/73/00/816677300.db2.gz OVHOMSCWNVBZMF-BBWFWOEESA-N 1 1 292.467 3.312 20 30 CGEDMO Cc1ccc(N2CCC(OCCCCCC#N)CC2)[nH+]c1 ZINC001224689828 816853381 /nfs/dbraw/zinc/85/33/81/816853381.db2.gz JVBLGTQZBLVIAR-UHFFFAOYSA-N 1 1 287.407 3.459 20 30 CGEDMO Cc1ccc(N2CCC[C@@H](OCCCCCC#N)C2)[nH+]c1 ZINC001224690321 816853419 /nfs/dbraw/zinc/85/34/19/816853419.db2.gz RQYUDUBAZJQTLZ-MRXNPFEDSA-N 1 1 287.407 3.459 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1OCC#CC1CC1 ZINC001224845044 816893473 /nfs/dbraw/zinc/89/34/73/816893473.db2.gz VDGKMSDTXYTQSQ-LPHOPBHVSA-N 1 1 283.415 3.327 20 30 CGEDMO C=CC[C@H](C=C)OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001224961041 816918112 /nfs/dbraw/zinc/91/81/12/816918112.db2.gz KEPJBNAKTWBTSO-ZWKOTPCHSA-N 1 1 287.403 3.035 20 30 CGEDMO C=CC[C@H](C=C)OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001224961041 816918116 /nfs/dbraw/zinc/91/81/16/816918116.db2.gz KEPJBNAKTWBTSO-ZWKOTPCHSA-N 1 1 287.403 3.035 20 30 CGEDMO CC(C)c1ccc(C#N)c(O[C@H]2CCC[N@H+](C(C)C)C2)n1 ZINC001226354705 817334176 /nfs/dbraw/zinc/33/41/76/817334176.db2.gz ZMOFMBKHFKADSN-HNNXBMFYSA-N 1 1 287.407 3.328 20 30 CGEDMO Cc1cc(C#N)cc(C)c1O[C@H]1CCC[N@H+](C(C)C)C1 ZINC001226527886 817386374 /nfs/dbraw/zinc/38/63/74/817386374.db2.gz UTMBFSOJYDJSHW-INIZCTEOSA-N 1 1 272.392 3.427 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](Oc2nc(C(C)(C)C)ccc2C#N)C1 ZINC001226550946 817395331 /nfs/dbraw/zinc/39/53/31/817395331.db2.gz WOXCQGPDLOUYSX-AWEZNQCLSA-N 1 1 287.407 3.112 20 30 CGEDMO Cc1cccc(O[C@H]2CCC[N@H+](C(C)C)C2)c1C#N ZINC001226919859 817504963 /nfs/dbraw/zinc/50/49/63/817504963.db2.gz DIWBLKRCIADDLK-AWEZNQCLSA-N 1 1 258.365 3.118 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)/C=C/C(C)(C)C ZINC001231280110 818069523 /nfs/dbraw/zinc/06/95/23/818069523.db2.gz AJUZJGOPWMUSAH-JOZWUWCOSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)/C=C\c1ccco1 ZINC001231301693 818072392 /nfs/dbraw/zinc/07/23/92/818072392.db2.gz ZSYDDCLNRAHUAV-WOLCWHLNSA-N 1 1 290.407 3.086 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CCC1CC1 ZINC001231350582 818081876 /nfs/dbraw/zinc/08/18/76/818081876.db2.gz SQRWSACSRSZHQC-HOCLYGCPSA-N 1 1 278.440 3.064 20 30 CGEDMO CN(C)c1ccc2cc(C[N@@H+]3CC[C@H](C#N)C3)ccc2c1 ZINC001231442308 818100988 /nfs/dbraw/zinc/10/09/88/818100988.db2.gz JWILVQFIHPRWGQ-OAHLLOKOSA-N 1 1 279.387 3.251 20 30 CGEDMO CN(C)c1ccc2cc(C[N@H+]3CC[C@H](C#N)C3)ccc2c1 ZINC001231442308 818100990 /nfs/dbraw/zinc/10/09/90/818100990.db2.gz JWILVQFIHPRWGQ-OAHLLOKOSA-N 1 1 279.387 3.251 20 30 CGEDMO Cc1c(F)ccc(C[N@@H+]2CCC[C@@H](C#N)CC2)c1F ZINC001231477575 818105765 /nfs/dbraw/zinc/10/57/65/818105765.db2.gz LMCTXBWVZRXQAQ-GFCCVEGCSA-N 1 1 264.319 3.399 20 30 CGEDMO Cc1c(F)ccc(C[N@H+]2CCC[C@@H](C#N)CC2)c1F ZINC001231477575 818105769 /nfs/dbraw/zinc/10/57/69/818105769.db2.gz LMCTXBWVZRXQAQ-GFCCVEGCSA-N 1 1 264.319 3.399 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@@H](C)[C@](C)(O)CC2)c1 ZINC001231621346 818138636 /nfs/dbraw/zinc/13/86/36/818138636.db2.gz ZDVGYRZZBWDKAZ-CRAIPNDOSA-N 1 1 289.419 3.234 20 30 CGEDMO C=CCOc1cccc(C[N@H+](C)C2CC(F)(F)C2)c1 ZINC001231621131 818138739 /nfs/dbraw/zinc/13/87/39/818138739.db2.gz QKDUOMKLCFLOQT-UHFFFAOYSA-N 1 1 267.319 3.481 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CC[C@@H](Oc3cccc(C)n3)C2)c1 ZINC001231664725 818153403 /nfs/dbraw/zinc/15/34/03/818153403.db2.gz VMCRTBIBMJDIDO-GOSISDBHSA-N 1 1 292.382 3.025 20 30 CGEDMO C[N@@H+](Cc1cc2ncccc2[nH]1)Cc1cccc(C#N)c1 ZINC001232067013 818245400 /nfs/dbraw/zinc/24/54/00/818245400.db2.gz HTLLUFCFEQJBGF-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)c(Cl)c1)C1CC(F)(F)C1 ZINC001232112371 818258375 /nfs/dbraw/zinc/25/83/75/818258375.db2.gz UMAIQKRKTPBCRZ-UHFFFAOYSA-N 1 1 270.710 3.441 20 30 CGEDMO CC(C)O[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232115711 818260222 /nfs/dbraw/zinc/26/02/22/818260222.db2.gz ABSJOIBODFHDNR-CQSZACIVSA-N 1 1 278.783 3.211 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnc(-c2cccnc2)o1 ZINC001232131569 818261329 /nfs/dbraw/zinc/26/13/29/818261329.db2.gz AEVURRSSNZURQE-XMQYKBBCSA-N 1 1 294.358 3.003 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1ccnc2c(F)cccc12 ZINC001232209478 818277424 /nfs/dbraw/zinc/27/74/24/818277424.db2.gz NEZTZYAWHYETBT-UHFFFAOYSA-N 1 1 271.339 3.500 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1ccnc2c(F)cccc12 ZINC001232209478 818277428 /nfs/dbraw/zinc/27/74/28/818277428.db2.gz NEZTZYAWHYETBT-UHFFFAOYSA-N 1 1 271.339 3.500 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)Cc1cccc(COC)n1 ZINC001232257114 818295480 /nfs/dbraw/zinc/29/54/80/818295480.db2.gz IZWVWAFQRYYWDY-UHFFFAOYSA-N 1 1 282.387 3.416 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cccc(COC)n1 ZINC001232257114 818295483 /nfs/dbraw/zinc/29/54/83/818295483.db2.gz IZWVWAFQRYYWDY-UHFFFAOYSA-N 1 1 282.387 3.416 20 30 CGEDMO C=CC[N@@H+](Cc1cn2cc(F)ccc2n1)C(C)(C)C ZINC001232415000 818341467 /nfs/dbraw/zinc/34/14/67/818341467.db2.gz RAESTGITGHTFLJ-UHFFFAOYSA-N 1 1 261.344 3.260 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2c[nH]c3nccc(Cl)c23)C1 ZINC001232463463 818358347 /nfs/dbraw/zinc/35/83/47/818358347.db2.gz KVGKERZMHMHMPH-LLVKDONJSA-N 1 1 273.767 3.062 20 30 CGEDMO CC[N@H+](Cc1ccc(F)cc1)Cc1cc(C#N)ccn1 ZINC001232477778 818364953 /nfs/dbraw/zinc/36/49/53/818364953.db2.gz DIVQMRBEZIFKEV-UHFFFAOYSA-N 1 1 269.323 3.114 20 30 CGEDMO CC[N@@H+](Cc1ccc(F)cc1)Cc1cc(C#N)ccn1 ZINC001232477778 818364958 /nfs/dbraw/zinc/36/49/58/818364958.db2.gz DIVQMRBEZIFKEV-UHFFFAOYSA-N 1 1 269.323 3.114 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc3ncsc3c2)C1 ZINC001232742066 818431216 /nfs/dbraw/zinc/43/12/16/818431216.db2.gz RTOWMFBCLUTXSW-LBPRGKRZSA-N 1 1 271.389 3.422 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)s1 ZINC001232844209 818455113 /nfs/dbraw/zinc/45/51/13/818455113.db2.gz JLJZSGICFBSANQ-AOOOYVTPSA-N 1 1 268.332 3.097 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001232891575 818467027 /nfs/dbraw/zinc/46/70/27/818467027.db2.gz KFEMTAVMEXNEGX-GOSISDBHSA-N 1 1 295.361 3.299 20 30 CGEDMO CC(C)[N@H+](Cc1cc(F)ccc1C#N)C1CCN(C)CC1 ZINC001232892492 818467403 /nfs/dbraw/zinc/46/74/03/818467403.db2.gz MVPMPEFEYDVJLD-UHFFFAOYSA-N 1 1 289.398 3.002 20 30 CGEDMO CC(C)[N@@H+](Cc1cc(F)ccc1C#N)C1CCN(C)CC1 ZINC001232892492 818467408 /nfs/dbraw/zinc/46/74/08/818467408.db2.gz MVPMPEFEYDVJLD-UHFFFAOYSA-N 1 1 289.398 3.002 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)n1 ZINC001232925800 818475993 /nfs/dbraw/zinc/47/59/93/818475993.db2.gz QMAWSEVTQGIYEZ-CJNGLKHVSA-N 1 1 255.365 3.108 20 30 CGEDMO N#Cc1cc[nH]c1C[NH+]1CCC2(CC(OCC3CC3)C2)CC1 ZINC001233044056 818509148 /nfs/dbraw/zinc/50/91/48/818509148.db2.gz JXLFURHAQMZDOJ-UHFFFAOYSA-N 1 1 299.418 3.058 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001233079880 818520192 /nfs/dbraw/zinc/52/01/92/818520192.db2.gz PWSHRQRJRFNEGD-NVXWUHKLSA-N 1 1 254.377 3.489 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(C#N)c2F)[C@@H]1C ZINC001233100540 818522107 /nfs/dbraw/zinc/52/21/07/818522107.db2.gz JPENXQZJTZNMDR-CHWSQXEVSA-N 1 1 289.398 3.384 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cc(C)c[nH]c1=O ZINC001233194911 818538765 /nfs/dbraw/zinc/53/87/65/818538765.db2.gz GTYYUMGMRRZEAI-UHFFFAOYSA-N 1 1 268.360 3.284 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c(O)c1 ZINC001233386408 818606155 /nfs/dbraw/zinc/60/61/55/818606155.db2.gz SFFWQHBFUSEITR-KRWDZBQOSA-N 1 1 292.382 3.328 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)c(O)c1 ZINC001233386408 818606156 /nfs/dbraw/zinc/60/61/56/818606156.db2.gz SFFWQHBFUSEITR-KRWDZBQOSA-N 1 1 292.382 3.328 20 30 CGEDMO SC1CC[NH+](Cc2csc(Br)c2)CC1 ZINC001233414743 818613934 /nfs/dbraw/zinc/61/39/34/818613934.db2.gz GHOIDLVLOFWDJQ-UHFFFAOYSA-N 1 1 292.267 3.405 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)/C=C\C1CC1 ZINC001233488362 818626555 /nfs/dbraw/zinc/62/65/55/818626555.db2.gz FGLSTSTXXDIJGR-QXPKXGMISA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC1CCC1 ZINC001233520457 818632313 /nfs/dbraw/zinc/63/23/13/818632313.db2.gz MJNBKYAYAKORIZ-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)=C1CCCC1 ZINC001233600003 818655346 /nfs/dbraw/zinc/65/53/46/818655346.db2.gz HNZWUNFTYDYTEI-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C(F)=C(C)C ZINC001233654146 818670875 /nfs/dbraw/zinc/67/08/75/818670875.db2.gz OUUMMSMZEIATCK-KGLIPLIRSA-N 1 1 282.403 3.137 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)c1coc(C)c1 ZINC001233866497 818720692 /nfs/dbraw/zinc/72/06/92/818720692.db2.gz RCJWSRDMOOXIKO-CZUORRHYSA-N 1 1 290.407 3.089 20 30 CGEDMO C=CCCCCC[N@H+](C)CCCNC(=O)c1ccoc1 ZINC001233910262 818727976 /nfs/dbraw/zinc/72/79/76/818727976.db2.gz MJCGWOKOEIVDQG-UHFFFAOYSA-N 1 1 278.396 3.078 20 30 CGEDMO C#CCCCC(=O)N(C)C[C@H]1CC[N@H+]1CCCC(C)(C)C ZINC001233947431 818738142 /nfs/dbraw/zinc/73/81/42/818738142.db2.gz MBBAYHSHWNISII-MRXNPFEDSA-N 1 1 292.467 3.149 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2c[nH]c(=O)c3ccccc23)C1 ZINC001233999246 818751524 /nfs/dbraw/zinc/75/15/24/818751524.db2.gz LKIIUTBVYIEARB-CYBMUJFWSA-N 1 1 281.359 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccsc1C ZINC001234141508 818789297 /nfs/dbraw/zinc/78/92/97/818789297.db2.gz PAUHZNISRHCFTN-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCNC(=O)[C@@H](CC)CCCC ZINC001234291627 818829224 /nfs/dbraw/zinc/82/92/24/818829224.db2.gz RZCQVDJQPGWFFT-AWEZNQCLSA-N 1 1 288.863 3.393 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCNC(=O)[C@@H](CC)CCCC ZINC001234291627 818829228 /nfs/dbraw/zinc/82/92/28/818829228.db2.gz RZCQVDJQPGWFFT-AWEZNQCLSA-N 1 1 288.863 3.393 20 30 CGEDMO CC[N@H+]1CC[C@@H](Oc2c(C#N)ccc(Cl)c2Cl)C1 ZINC001234425303 818853666 /nfs/dbraw/zinc/85/36/66/818853666.db2.gz RTHKXIYPRKZAEF-SNVBAGLBSA-N 1 1 285.174 3.338 20 30 CGEDMO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@H+]1CC1CCCCC1 ZINC001234625573 818894937 /nfs/dbraw/zinc/89/49/37/818894937.db2.gz MLHOICNIHZZGSV-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCCCCCCCN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235192648 819032509 /nfs/dbraw/zinc/03/25/09/819032509.db2.gz FPUTVFPOTLQEFX-IAGOWNOFSA-N 1 1 264.457 3.444 20 30 CGEDMO C=CCCC(=O)NCCC[N@H+](C)CC/C=C\CCC ZINC001235451999 819103283 /nfs/dbraw/zinc/10/32/83/819103283.db2.gz SWXMCZWQSIBVOP-HJWRWDBZSA-N 1 1 266.429 3.137 20 30 CGEDMO N#CCc1ccccc1C[N@H+]1CCC(=O)[C@@H]2CCCC[C@H]21 ZINC001235511398 819112463 /nfs/dbraw/zinc/11/24/63/819112463.db2.gz GWFCEDPKDAWQSM-IAGOWNOFSA-N 1 1 282.387 3.086 20 30 CGEDMO N#CCc1ccccc1C[N@@H+]1CCC(=O)[C@@H]2CCCC[C@H]21 ZINC001235511398 819112469 /nfs/dbraw/zinc/11/24/69/819112469.db2.gz GWFCEDPKDAWQSM-IAGOWNOFSA-N 1 1 282.387 3.086 20 30 CGEDMO C[C@@]1(F)CCC[N@@H+](Cc2ccccc2CC#N)CC1 ZINC001235510457 819113335 /nfs/dbraw/zinc/11/33/35/819113335.db2.gz BFALFYKPTHPDKN-MRXNPFEDSA-N 1 1 260.356 3.467 20 30 CGEDMO N#CCc1ccccc1C[N@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001235516058 819114075 /nfs/dbraw/zinc/11/40/75/819114075.db2.gz QPEJJIRGGIXQTK-GASCZTMLSA-N 1 1 276.330 3.230 20 30 CGEDMO COCC[C@@H]1CCCC[N@H+]1Cc1ccccc1CC#N ZINC001235523758 819115086 /nfs/dbraw/zinc/11/50/86/819115086.db2.gz UDPNWFXXEXIFRP-KRWDZBQOSA-N 1 1 272.392 3.144 20 30 CGEDMO C[N@H+](Cc1ccccc1CC#N)C[C@H]1Cc2ccccc2O1 ZINC001235526391 819116125 /nfs/dbraw/zinc/11/61/25/819116125.db2.gz CWWLSOOBWDWZTL-GOSISDBHSA-N 1 1 292.382 3.188 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCNC(=O)C[C@H](C)C(C)C ZINC001235548440 819120424 /nfs/dbraw/zinc/12/04/24/819120424.db2.gz XHKYKHJDLJCJHE-HNNXBMFYSA-N 1 1 268.445 3.073 20 30 CGEDMO C#CC[N@H+](C)Cc1c(C)cc(Br)cc1C ZINC001235789499 819167947 /nfs/dbraw/zinc/16/79/47/819167947.db2.gz NBCQCYUVQOPWBM-UHFFFAOYSA-N 1 1 266.182 3.131 20 30 CGEDMO CCCCCCC/C=C/CN(C)C[C@@H]1CC[NH2+]C1 ZINC001235842211 819183103 /nfs/dbraw/zinc/18/31/03/819183103.db2.gz MRJMACIPOQWIEG-ZNFPLGDCSA-N 1 1 252.446 3.444 20 30 CGEDMO C=CC[N@H+](C[C@H](N)Cc1ccccc1)C1CCCCC1 ZINC001236433291 819476676 /nfs/dbraw/zinc/47/66/76/819476676.db2.gz HOUXAEZSUCKOIU-QGZVFWFLSA-N 1 1 272.436 3.377 20 30 CGEDMO C=CCN(C[C@H]([NH3+])Cc1ccccc1)C1CCCCC1 ZINC001236433291 819476679 /nfs/dbraw/zinc/47/66/79/819476679.db2.gz HOUXAEZSUCKOIU-QGZVFWFLSA-N 1 1 272.436 3.377 20 30 CGEDMO C=CC[N@H+](CCNC(=O)OC(C)(C)C)C1CCCCC1 ZINC001236434336 819478686 /nfs/dbraw/zinc/47/86/86/819478686.db2.gz QPLFAWUNRQANLJ-UHFFFAOYSA-N 1 1 282.428 3.332 20 30 CGEDMO CCc1ccc(C[N@H+]2CCC[C@@H](C#N)CC2)c(O)c1 ZINC001236793960 819597091 /nfs/dbraw/zinc/59/70/91/819597091.db2.gz HXUGMAZMGFYOBL-CQSZACIVSA-N 1 1 258.365 3.080 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(-n2ccnc2)c(Cl)c1 ZINC001236910364 819636489 /nfs/dbraw/zinc/63/64/89/819636489.db2.gz AYUNKHBNXQRKKB-UHFFFAOYSA-N 1 1 261.756 3.144 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237127399 819674256 /nfs/dbraw/zinc/67/42/56/819674256.db2.gz ZKNKNOBWEFHSFF-JTQLQIEISA-N 1 1 267.731 3.030 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1NC(C)=O)C(C)(C)C ZINC001237418547 819748897 /nfs/dbraw/zinc/74/88/97/819748897.db2.gz RGTULTSQKPLOCE-UHFFFAOYSA-N 1 1 260.381 3.432 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2c(Cl)[nH]c3cnccc32)C1 ZINC001237462020 819757917 /nfs/dbraw/zinc/75/79/17/819757917.db2.gz QMNSHWCRSRVNFZ-NSHDSACASA-N 1 1 288.782 3.342 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2cn(C)c3ccc(C#N)cc23)[C@H](C)C1 ZINC001237471888 819759178 /nfs/dbraw/zinc/75/91/78/819759178.db2.gz JTIIEAIATNTETC-CJNGLKHVSA-N 1 1 297.402 3.049 20 30 CGEDMO CC1(C#N)CC[NH+](Cc2[nH]nc3cc(Cl)ccc32)CC1 ZINC001238001555 819907446 /nfs/dbraw/zinc/90/74/46/819907446.db2.gz VUDDAZANQBETQF-UHFFFAOYSA-N 1 1 288.782 3.342 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c(Cl)c1 ZINC001238080693 819927220 /nfs/dbraw/zinc/92/72/20/819927220.db2.gz UGYHXBYQWFJZOI-ZBFHGGJFSA-N 1 1 290.794 3.213 20 30 CGEDMO CCO[C@H]1CCC[N@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238194952 819953282 /nfs/dbraw/zinc/95/32/82/819953282.db2.gz XYMARUSHUOUZSF-AWEZNQCLSA-N 1 1 278.783 3.213 20 30 CGEDMO CCO[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238194952 819953289 /nfs/dbraw/zinc/95/32/89/819953289.db2.gz XYMARUSHUOUZSF-AWEZNQCLSA-N 1 1 278.783 3.213 20 30 CGEDMO C#CC1CC[NH+](Cc2c(F)ccc(Cl)c2OC)CC1 ZINC001238347416 819977803 /nfs/dbraw/zinc/97/78/03/819977803.db2.gz XGOQHJQABUCJTE-UHFFFAOYSA-N 1 1 281.758 3.333 20 30 CGEDMO COc1cc(C[N@H+]2CCC(F)(F)C(C)(C)C2)ccc1C#N ZINC001238409955 819987493 /nfs/dbraw/zinc/98/74/93/819987493.db2.gz LCAPMOFHCBVIIK-UHFFFAOYSA-N 1 1 294.345 3.434 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cnc(OCCCC)c(C)c2)C1 ZINC001238490069 820023297 /nfs/dbraw/zinc/02/32/97/820023297.db2.gz YFDYZWZABNRDAI-MRXNPFEDSA-N 1 1 286.419 3.414 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(-c2ccc(Cl)cn2)cc1 ZINC001238682021 820083346 /nfs/dbraw/zinc/08/33/46/820083346.db2.gz DXCZMWJSBICWJH-UHFFFAOYSA-N 1 1 270.763 3.467 20 30 CGEDMO CCc1cc(C[N@@H+](C)CCc2ccccn2)ccc1C#N ZINC001238765270 820110855 /nfs/dbraw/zinc/11/08/55/820110855.db2.gz DACGUQYBPWCCOK-UHFFFAOYSA-N 1 1 279.387 3.190 20 30 CGEDMO N#Cc1ccc(C=Cc2ccc3[nH+]c(N)[nH]c3c2)cc1 ZINC001239297614 820256879 /nfs/dbraw/zinc/25/68/79/820256879.db2.gz UOQLQNNGBKPFHG-DAFODLJHSA-N 1 1 260.300 3.187 20 30 CGEDMO C[N@@H+](Cc1ccc(-c2cc(F)c(C#N)c(F)c2)nc1)C1CC1 ZINC001239921926 820699631 /nfs/dbraw/zinc/69/96/31/820699631.db2.gz YMFCVJRDNJCDLM-UHFFFAOYSA-N 1 1 299.324 3.493 20 30 CGEDMO Cc1c(C#N)c(C2=CCC[N@H+](C)C2)nc2ccccc12 ZINC001241567483 821952155 /nfs/dbraw/zinc/95/21/55/821952155.db2.gz DYDWEFRWTPHODD-UHFFFAOYSA-N 1 1 263.344 3.134 20 30 CGEDMO C[N@H+]1CCC=C(c2nccc(-c3ccccc3)c2C#N)C1 ZINC001241566543 821952714 /nfs/dbraw/zinc/95/27/14/821952714.db2.gz YPMPAUMYEIOVTJ-UHFFFAOYSA-N 1 1 275.355 3.339 20 30 CGEDMO C#Cc1cccc(-c2cccc(CN3CCC([NH3+])CC3)c2)c1 ZINC001241919512 822217936 /nfs/dbraw/zinc/21/79/36/822217936.db2.gz JFAKUYMOUVPMRE-UHFFFAOYSA-N 1 1 290.410 3.258 20 30 CGEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(-c2cncc(C#N)c2)nc1 ZINC001242272155 822932990 /nfs/dbraw/zinc/93/29/90/822932990.db2.gz RYEGOJYTOKLHDB-AWEZNQCLSA-N 1 1 292.386 3.390 20 30 CGEDMO Cc1cc(-c2ccc([C@@H]3CCCC[N@@H+]3C)cn2)cnc1C#N ZINC001242355240 822963809 /nfs/dbraw/zinc/96/38/09/822963809.db2.gz KZFKHKYKDBXIAB-SFHVURJKSA-N 1 1 292.386 3.481 20 30 CGEDMO Cc1cc(-c2cc(F)c3c(c2)C[N@@H+](C)CC3)cnc1C#N ZINC001242357574 822964662 /nfs/dbraw/zinc/96/46/62/822964662.db2.gz CLIHBPQXFSHVQS-UHFFFAOYSA-N 1 1 281.334 3.056 20 30 CGEDMO Cc1ccc(C#N)cc1-c1ccccc1C[NH+]1CCOCC1 ZINC001242542817 823025284 /nfs/dbraw/zinc/02/52/84/823025284.db2.gz KXEIJVTTZSHPOQ-UHFFFAOYSA-N 1 1 292.382 3.366 20 30 CGEDMO C[C@H]1C[C@@H](C(=O)Nc2ccc(C#N)cc2C2CC2)CC[N@H+]1C ZINC001338315571 936316972 /nfs/dbraw/zinc/31/69/72/936316972.db2.gz NUEKRZBJKLAICP-WFASDCNBSA-N 1 1 297.402 3.104 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](C[C@H](C)c2ccc(F)cc2)C1 ZINC001338649742 936330738 /nfs/dbraw/zinc/33/07/38/936330738.db2.gz RXOMZOGNBHLGKI-XJKSGUPXSA-N 1 1 263.356 3.206 20 30 CGEDMO CS[C@H]1CC[C@@H]([N@@H+](C)Cc2csc(C#N)c2)C1 ZINC001335421055 936144600 /nfs/dbraw/zinc/14/46/00/936144600.db2.gz KVCAFQZDAKTKTE-NEPJUHHUSA-N 1 1 266.435 3.336 20 30 CGEDMO N#Cc1cc(Cl)nc(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC001339769309 936384571 /nfs/dbraw/zinc/38/45/71/936384571.db2.gz ICYOOXXAEJFWKD-OLZOCXBDSA-N 1 1 290.798 3.035 20 30 CGEDMO CC[C@@H]1Cc2ccccc2C[N@H+]1Cc1cncc(C#N)c1 ZINC001341105531 936428148 /nfs/dbraw/zinc/42/81/48/936428148.db2.gz MEOCKGAUGDOIPO-GOSISDBHSA-N 1 1 277.371 3.290 20 30 CGEDMO C#CC[N@H+](C[C@H](O)c1ccc(Cl)cc1Cl)CC1CC1 ZINC001341213504 936431220 /nfs/dbraw/zinc/43/12/20/936431220.db2.gz WPIOAJUFTPVWEL-HNNXBMFYSA-N 1 1 298.213 3.372 20 30 CGEDMO CC(C)C[N@@H+](Cc1ccccn1)Cc1cccc(C#N)n1 ZINC001343265629 936493205 /nfs/dbraw/zinc/49/32/05/936493205.db2.gz GIMOSAJMDDCBQH-UHFFFAOYSA-N 1 1 280.375 3.006 20 30 CGEDMO CCC[N@@H+](CC)C[C@@H](C)NC1CC(C#N)(c2ccccc2)C1 ZINC001343501954 936504467 /nfs/dbraw/zinc/50/44/67/936504467.db2.gz QQJWRLVSWTXSHI-IPJUCJBFSA-N 1 1 299.462 3.320 20 30 CGEDMO CCCN(CC)C[C@@H](C)[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001343501954 936504469 /nfs/dbraw/zinc/50/44/69/936504469.db2.gz QQJWRLVSWTXSHI-IPJUCJBFSA-N 1 1 299.462 3.320 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)C=C(C)C)C1 ZINC001480072275 937002226 /nfs/dbraw/zinc/00/22/26/937002226.db2.gz QBVFOPSZBJMOCW-SJORKVTESA-N 1 1 292.467 3.478 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC001352864840 937051853 /nfs/dbraw/zinc/05/18/53/937051853.db2.gz VKZCFRHVYMIZEW-GFCCVEGCSA-N 1 1 262.401 3.079 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H]1CCN(C2CCCCC2)C1=O ZINC001473862062 937825401 /nfs/dbraw/zinc/82/54/01/937825401.db2.gz VCEICOVALUNCON-INIZCTEOSA-N 1 1 278.440 3.208 20 30 CGEDMO CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(CCC#N)cc1 ZINC001354281445 937097511 /nfs/dbraw/zinc/09/75/11/937097511.db2.gz HZGNZXPKPNNJDE-QGZVFWFLSA-N 1 1 299.418 3.346 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC001480899434 926760895 /nfs/dbraw/zinc/76/08/95/926760895.db2.gz MRYXNKPDRZZFFO-CYBMUJFWSA-N 1 1 292.398 3.147 20 30 CGEDMO N#Cc1ccc(Cl)c(C[N@@H+]2CCc3cccc(O)c3C2)c1 ZINC001140602263 926801674 /nfs/dbraw/zinc/80/16/74/926801674.db2.gz IHUXALUBGPJMMP-UHFFFAOYSA-N 1 1 298.773 3.476 20 30 CGEDMO N#Cc1ccc(Cl)c(C[N@H+]2CCc3cccc(O)c3C2)c1 ZINC001140602263 926801683 /nfs/dbraw/zinc/80/16/83/926801683.db2.gz IHUXALUBGPJMMP-UHFFFAOYSA-N 1 1 298.773 3.476 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)C1CC(C(C)(C)C)C1 ZINC001480955076 926837121 /nfs/dbraw/zinc/83/71/21/926837121.db2.gz VEZPXYKDRFPNPY-UHFFFAOYSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)c1cc(C)c(F)c(C)c1 ZINC001481018231 926860904 /nfs/dbraw/zinc/86/09/04/926860904.db2.gz ZCIRYWOSCROPEF-UHFFFAOYSA-N 1 1 292.398 3.070 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCC[N@@H+]1Cc1cccc(C)c1 ZINC001481030748 926866046 /nfs/dbraw/zinc/86/60/46/926866046.db2.gz MDVBSRCXPGDEKP-QGZVFWFLSA-N 1 1 286.419 3.042 20 30 CGEDMO C=CCCC[N@H+](CCNC(=O)c1oc(C)cc1C)C1CC1 ZINC001481164322 926899834 /nfs/dbraw/zinc/89/98/34/926899834.db2.gz CHZFVGJFALMDMC-UHFFFAOYSA-N 1 1 290.407 3.057 20 30 CGEDMO C#CC[N@H+](CCCNC(=O)[C@]1(C)CCC[C@H]1CC)C(C)C ZINC001481350996 926965868 /nfs/dbraw/zinc/96/58/68/926965868.db2.gz VYKLZQCXMRVUFH-SJLPKXTDSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C1CC(C)(C(=O)NCCC[N@@H+](C/C=C/Cl)C(C)C)C1 ZINC001481354825 926967281 /nfs/dbraw/zinc/96/72/81/926967281.db2.gz XYMAOILAWADQJO-FNORWQNLSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](N(CCC)C(=O)C(C)(C)F)C1 ZINC001481387747 926972584 /nfs/dbraw/zinc/97/25/84/926972584.db2.gz CUZQQEYHQUIHTH-CABCVRRESA-N 1 1 298.446 3.402 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCCC ZINC001481385823 926972762 /nfs/dbraw/zinc/97/27/62/926972762.db2.gz YUJPQXYJZSMNAD-JZXOWHBKSA-N 1 1 292.467 3.454 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](CCNC(=O)C(CC)(CC)CC)C1 ZINC001481460354 926990382 /nfs/dbraw/zinc/99/03/82/926990382.db2.gz OCSRXXLKKKBUTJ-MRXNPFEDSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)CCCC)C1 ZINC001481485483 927002250 /nfs/dbraw/zinc/00/22/50/927002250.db2.gz YPMVKVATYRADDF-JKSUJKDBSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[N@@H+](CCNC(=O)[C@H]1CCC=CCCC1)C1CC1 ZINC001493381932 927042594 /nfs/dbraw/zinc/04/25/94/927042594.db2.gz UGSKDMMIUXILCQ-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC(C)C ZINC001481677914 927055101 /nfs/dbraw/zinc/05/51/01/927055101.db2.gz DLXYPOGQHACLBE-IKGGRYGDSA-N 1 1 292.467 3.453 20 30 CGEDMO C[N@@H+](Cc1cccn1C1CC1)Cc1ccc(C#N)cc1 ZINC001344060894 927061239 /nfs/dbraw/zinc/06/12/39/927061239.db2.gz HWRACGOQYANNKJ-UHFFFAOYSA-N 1 1 265.360 3.327 20 30 CGEDMO C#CCCCC(=O)N(C)[C@H]1CC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC001481725084 927076002 /nfs/dbraw/zinc/07/60/02/927076002.db2.gz XBPOECSAUURAJR-IRXDYDNUSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)/C=C(/C)CC)C1 ZINC001481766827 927084818 /nfs/dbraw/zinc/08/48/18/927084818.db2.gz QPHLWAYYAXJDHH-UQTJOTSZSA-N 1 1 284.831 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)/C=C(/C)CC)C1 ZINC001481766827 927084835 /nfs/dbraw/zinc/08/48/35/927084835.db2.gz QPHLWAYYAXJDHH-UQTJOTSZSA-N 1 1 284.831 3.018 20 30 CGEDMO C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](CC)CCC)CC2 ZINC001482072206 927140825 /nfs/dbraw/zinc/14/08/25/927140825.db2.gz UVTCLWBQIVELJL-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@H+](C)CCC1CCN(C(=O)[C@H]2CC2(C)C)CC1 ZINC001482503845 927271582 /nfs/dbraw/zinc/27/15/82/927271582.db2.gz YPBSEGFHKNGJFK-MRXNPFEDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)C(C)(C)C(C)C ZINC001482598652 927318332 /nfs/dbraw/zinc/31/83/32/927318332.db2.gz LIYVGJMXMJPKDG-UHFFFAOYSA-N 1 1 268.445 3.025 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)C[C@H]1CC=CCC1 ZINC001482620467 927329955 /nfs/dbraw/zinc/32/99/55/927329955.db2.gz RUSYLCYPKIHFHB-INIZCTEOSA-N 1 1 278.440 3.089 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)c1coc2ccccc12 ZINC001482654493 927338192 /nfs/dbraw/zinc/33/81/92/927338192.db2.gz KKTVKVFSGDLXGL-UHFFFAOYSA-N 1 1 286.375 3.013 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CCC2CC2)C1 ZINC001482659598 927340881 /nfs/dbraw/zinc/34/08/81/927340881.db2.gz PMJDJWVZOXIZBS-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C#CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H](CC)CC1CCCC1 ZINC001483388349 927495965 /nfs/dbraw/zinc/49/59/65/927495965.db2.gz DZYJAYNKSNHWNE-RDJZCZTQSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccccc1Cl ZINC001483410707 927498182 /nfs/dbraw/zinc/49/81/82/927498182.db2.gz YZZYQCVSQOOBSM-CYBMUJFWSA-N 1 1 294.826 3.356 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1CC[N@H+]1CC1CC2(CCC2)C1 ZINC001483654010 927560778 /nfs/dbraw/zinc/56/07/78/927560778.db2.gz VGCXEJYVEUFYRY-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)c2occc2C)C1 ZINC001484029416 927664638 /nfs/dbraw/zinc/66/46/38/927664638.db2.gz JTOJEGLTQZDCCD-WMLDXEAASA-N 1 1 290.407 3.137 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)CCCC[C@H](C)CC)C1 ZINC001484045310 927667320 /nfs/dbraw/zinc/66/73/20/927667320.db2.gz PUOZJAPMRPSILI-WBVHZDCISA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](CC)CCCCC)C1 ZINC001484070079 927668538 /nfs/dbraw/zinc/66/85/38/927668538.db2.gz BRHKHSNBLDFMFV-DOTOQJQBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)C2CC(C)C2)C1 ZINC001484156612 927682579 /nfs/dbraw/zinc/68/25/79/927682579.db2.gz FAAIDCZBDZWTBP-LEOMRAHMSA-N 1 1 292.467 3.217 20 30 CGEDMO CCCCCCC[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)C)C[C@H]2C1 ZINC001484414376 927701690 /nfs/dbraw/zinc/70/16/90/927701690.db2.gz KVQBBIXDCDLPBF-IYBDPMFKSA-N 1 1 294.483 3.393 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)c1ccc(CF)cc1 ZINC001484768561 927755841 /nfs/dbraw/zinc/75/58/41/927755841.db2.gz BHBZQVMLLIMEPR-UHFFFAOYSA-N 1 1 292.398 3.126 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@H+](C(C)C)CC1(C)C ZINC001484938218 927773548 /nfs/dbraw/zinc/77/35/48/927773548.db2.gz XDMWYVOQCNWXMZ-RHSMWYFYSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@@H+](CC2=CCCCC2)[C@@H](C)C1 ZINC001484968560 927777758 /nfs/dbraw/zinc/77/77/58/927777758.db2.gz REXJUYWHPQXJEI-RDJZCZTQSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CC[N@H+](CC)CC1CCN(C(=O)[C@H]2CC=CCC2)CC1 ZINC001485029492 927788453 /nfs/dbraw/zinc/78/84/53/927788453.db2.gz UGFAIXZTBBMWPL-KRWDZBQOSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCCC(=O)N1CCC(C[N@H+](CC)CC(=C)C)CC1 ZINC001485029004 927788801 /nfs/dbraw/zinc/78/88/01/927788801.db2.gz CLWCJZZKIFSFRB-UHFFFAOYSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@]12C[C@H]1CCC2 ZINC001485064591 927795590 /nfs/dbraw/zinc/79/55/90/927795590.db2.gz JOVXCSXRIFZXNZ-JFIYKMOQSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)C1(CCF)CC1 ZINC001485059612 927800107 /nfs/dbraw/zinc/80/01/07/927800107.db2.gz AKMDIRXBCJRNOA-OAHLLOKOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)c1cc2cc(C)ccc2[nH]1 ZINC001485337577 927849653 /nfs/dbraw/zinc/84/96/53/927849653.db2.gz UVGSUVAUSQRQQE-CQSZACIVSA-N 1 1 299.418 3.103 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)C1(CC)CCC1 ZINC001485341695 927852546 /nfs/dbraw/zinc/85/25/46/927852546.db2.gz LTJPHEYMETWRBO-GJZGRUSLSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)CCCF ZINC001485479741 927880473 /nfs/dbraw/zinc/88/04/73/927880473.db2.gz GLYRCMSBERORKI-HNNXBMFYSA-N 1 1 284.419 3.063 20 30 CGEDMO C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@](C)(CC)CCC ZINC001485485859 927883683 /nfs/dbraw/zinc/88/36/83/927883683.db2.gz SPJAJCSALLBGIB-AEFFLSMTSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)C2C(C)(C)C2(C)C)C1 ZINC001494002383 927892160 /nfs/dbraw/zinc/89/21/60/927892160.db2.gz DTMFPPFNSQHALJ-CQSZACIVSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCC)C[C@@H]2C1 ZINC001485655675 927895452 /nfs/dbraw/zinc/89/54/52/927895452.db2.gz WTRRGYJPWSKMEQ-OWCLPIDISA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[N@H+](CC)C[C@@H]1CCC[C@]2(CCOC2)O1 ZINC001473861766 937201841 /nfs/dbraw/zinc/20/18/41/937201841.db2.gz KKBQVZYCTMOZFX-JKSUJKDBSA-N 1 1 267.413 3.003 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)[C@H]2CCC2(C)C)CC1 ZINC001485762211 927917068 /nfs/dbraw/zinc/91/70/68/927917068.db2.gz PFAPANMGKSHZML-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+](CCCC)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001307685014 927940175 /nfs/dbraw/zinc/94/01/75/927940175.db2.gz QGCYNFMBGLYXKT-KRWDZBQOSA-N 1 1 289.419 3.449 20 30 CGEDMO C=CC[N@H+](CCCC)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001307685014 927940181 /nfs/dbraw/zinc/94/01/81/927940181.db2.gz QGCYNFMBGLYXKT-KRWDZBQOSA-N 1 1 289.419 3.449 20 30 CGEDMO C=CC[C@@H](C)[N@@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001559543016 937210309 /nfs/dbraw/zinc/21/03/09/937210309.db2.gz KIAOELFXOGTBTB-MCIONIFRSA-N 1 1 282.428 3.281 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)[C@H]2C[C@]2(C)C(C)C)C1 ZINC001494473497 928058874 /nfs/dbraw/zinc/05/88/74/928058874.db2.gz QRVQENUDRVBKOC-SJLPKXTDSA-N 1 1 294.483 3.439 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)c1ccn(C(C)C)c1C ZINC001493006705 928085521 /nfs/dbraw/zinc/08/55/21/928085521.db2.gz SSTJHGWBMYSTHC-UHFFFAOYSA-N 1 1 291.439 3.005 20 30 CGEDMO N#CC12CCC(Nc3cccn4cc[nH+]c34)(CC1)CC2 ZINC001169750569 928100532 /nfs/dbraw/zinc/10/05/32/928100532.db2.gz GFGZCKOPAGCQEO-UHFFFAOYSA-N 1 1 266.348 3.363 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[N@@H+](C)CC12CCCCC2 ZINC001360896786 937224836 /nfs/dbraw/zinc/22/48/36/937224836.db2.gz QASGFIZOXLCYSV-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@](C)(CF)C1 ZINC001171210021 928202206 /nfs/dbraw/zinc/20/22/06/928202206.db2.gz OYQZEACJGZEYIP-BBRMVZONSA-N 1 1 260.356 3.171 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(CN(C(=O)C[C@@H](C)CCC)C2)C1 ZINC001147217641 928209298 /nfs/dbraw/zinc/20/92/98/928209298.db2.gz FQUOARJYQBEFNL-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO N#CCC1CCC([N@@H+]2CCC(F)(F)[C@H](F)C2)CC1 ZINC001173330921 928228379 /nfs/dbraw/zinc/22/83/79/928228379.db2.gz HSUZWDLMBKCZPA-HTAVTVPLSA-N 1 1 260.303 3.138 20 30 CGEDMO C[C@]1(F)CC[N@H+](C2CCC(CC#N)CC2)C[C@H]1F ZINC001173330901 928228425 /nfs/dbraw/zinc/22/84/25/928228425.db2.gz HJTWEHGHICVAOY-PQAZSJQKSA-N 1 1 256.340 3.231 20 30 CGEDMO C[C@@]1(F)CC[N@H+](C2CCC(CC#N)CC2)C[C@@H]1F ZINC001173330896 928229412 /nfs/dbraw/zinc/22/94/12/928229412.db2.gz HJTWEHGHICVAOY-CLRIEMFWSA-N 1 1 256.340 3.231 20 30 CGEDMO Cc1ccc(C[N@H+]2CCc3ccccc3C2)cc1C#N ZINC000260858051 928236120 /nfs/dbraw/zinc/23/61/20/928236120.db2.gz VPYLFWOCKWINBL-UHFFFAOYSA-N 1 1 262.356 3.425 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC[N@@H+]1CCCCC ZINC001493121064 928274730 /nfs/dbraw/zinc/27/47/30/928274730.db2.gz ACPJBVUPBBITNS-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CC[N@H+](CC#CC)C[C@H](c1ccccc1)C(C)C ZINC001560687309 937234560 /nfs/dbraw/zinc/23/45/60/937234560.db2.gz JWDLCSUXCBJBMN-SFHVURJKSA-N 1 1 253.389 3.385 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC(C)(C)CC)[C@H]1CC ZINC001489116023 928312802 /nfs/dbraw/zinc/31/28/02/928312802.db2.gz HTKOGXXXYOEZGP-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)SC)[C@H]1CC ZINC001489112360 928313500 /nfs/dbraw/zinc/31/35/00/928313500.db2.gz UXFOGFSYFXOKJZ-SOUVJXGZSA-N 1 1 298.496 3.063 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@]1(C)CCC(C)=C(C)C1 ZINC001493161760 928333570 /nfs/dbraw/zinc/33/35/70/928333570.db2.gz NKMYXZDZPLSDRR-SJLPKXTDSA-N 1 1 290.451 3.280 20 30 CGEDMO CC[N@@H+](CCCNC(=O)C#CC(C)C)C[C@H](C)CC(C)C ZINC001490323598 928348481 /nfs/dbraw/zinc/34/84/81/928348481.db2.gz URWHBUHWURIKRI-QGZVFWFLSA-N 1 1 294.483 3.156 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)[C@@H]1CCC[C@H](C)C1)C1CC1 ZINC001490384005 928352008 /nfs/dbraw/zinc/35/20/08/928352008.db2.gz WTGBATNTHWOLPT-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C(CCC)CCC)C1 ZINC001490559639 928372073 /nfs/dbraw/zinc/37/20/73/928372073.db2.gz SXHNHQMBMRYALC-MRXNPFEDSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H](C[N@@H+](C)CCC2CC2)C1 ZINC001490759966 928387951 /nfs/dbraw/zinc/38/79/51/928387951.db2.gz WTLHZQQYZFJYRN-KRWDZBQOSA-N 1 1 292.467 3.313 20 30 CGEDMO C#Cc1ccc(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c(Cl)c1 ZINC000885673346 928441121 /nfs/dbraw/zinc/44/11/21/928441121.db2.gz JBNXQDWCVSTQOX-TXEJJXNPSA-N 1 1 290.794 3.133 20 30 CGEDMO C#Cc1ccc(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c(Cl)c1 ZINC000885673346 928441126 /nfs/dbraw/zinc/44/11/26/928441126.db2.gz JBNXQDWCVSTQOX-TXEJJXNPSA-N 1 1 290.794 3.133 20 30 CGEDMO C#CCC1(C(=O)Nc2cc(C)[nH+]c(C)c2)CCCCC1 ZINC001321781690 928504384 /nfs/dbraw/zinc/50/43/84/928504384.db2.gz AADOMJREVZUZIM-UHFFFAOYSA-N 1 1 270.376 3.033 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H](C)C[N@@H+](C)CC1CCCC1 ZINC001322225866 928508317 /nfs/dbraw/zinc/50/83/17/928508317.db2.gz XDQPKYSKVYKEAI-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C[C@@H]1CCCC[N@@H+](Cc2cc(C#N)ccc2N(C)C)C1 ZINC001462111922 928775136 /nfs/dbraw/zinc/77/51/36/928775136.db2.gz FUGWDHBYGFIYKW-CQSZACIVSA-N 1 1 271.408 3.246 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCC=C)C1 ZINC001490986653 928824507 /nfs/dbraw/zinc/82/45/07/928824507.db2.gz RGBORIXLCAKDLB-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)/C=C(/C)C2CC2)C1 ZINC001491092830 928831806 /nfs/dbraw/zinc/83/18/06/928831806.db2.gz JGCPYUYUJYUYRS-QZFKAFNDSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)CCCCCC)C1 ZINC001491129627 928834070 /nfs/dbraw/zinc/83/40/70/928834070.db2.gz UFAWYBUCYKXDQI-MRXNPFEDSA-N 1 1 280.456 3.361 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCCC[N@H+]1CCC1CC1 ZINC001491224422 928844777 /nfs/dbraw/zinc/84/47/77/928844777.db2.gz IHILTAHYTNYTSW-WMZOPIPTSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC001491212481 928845764 /nfs/dbraw/zinc/84/57/64/928845764.db2.gz HBSDRGCLXSHBFS-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CC(CC)CC)C1 ZINC001491298806 928853966 /nfs/dbraw/zinc/85/39/66/928853966.db2.gz XKTDSVKUFVITLS-HOCLYGCPSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CCC2(C)CC2)C1 ZINC001491295405 928854240 /nfs/dbraw/zinc/85/42/40/928854240.db2.gz JNHKXVKHZHBBIA-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)CCCNC(=O)c1ccc(C[NH+](C)C)o1 ZINC001455477363 937417741 /nfs/dbraw/zinc/41/77/41/937417741.db2.gz UJVIPEVQSKTRDU-UHFFFAOYSA-N 1 1 278.396 3.063 20 30 CGEDMO C=CCC[C@H]1CCCN1c1[nH+]cnc2[nH]cc(CC)c21 ZINC001458669572 937471330 /nfs/dbraw/zinc/47/13/30/937471330.db2.gz AZSDGYNZUMVGOA-ZDUSSCGKSA-N 1 1 270.380 3.455 20 30 CGEDMO COc1ccc(C[C@@H](C)[N@@H+](C)Cc2cc(C#N)ccn2)cc1 ZINC001459412582 937487358 /nfs/dbraw/zinc/48/73/58/937487358.db2.gz CXANXWVYAGVILO-CQSZACIVSA-N 1 1 295.386 3.025 20 30 CGEDMO C=CCCCC[N@H+](CCOC)Cc1ccc2c(c1)OCO2 ZINC001459489149 937489275 /nfs/dbraw/zinc/48/92/75/937489275.db2.gz OMLGTFLPKQRQII-UHFFFAOYSA-N 1 1 291.391 3.220 20 30 CGEDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cc(C#N)ccn1 ZINC001459522906 937490223 /nfs/dbraw/zinc/49/02/23/937490223.db2.gz RIRICLJDPSZZAH-XNRPHZJLSA-N 1 1 255.365 3.106 20 30 CGEDMO C=CC[C@H](C(=O)OC)[N@H+]1CC[C@H](Cc2ccccc2)[C@H]1C ZINC001459635938 937495004 /nfs/dbraw/zinc/49/50/04/937495004.db2.gz SONFKSMNKLAPIS-DJIMGWMZSA-N 1 1 287.403 3.057 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC001460271001 937524360 /nfs/dbraw/zinc/52/43/60/937524360.db2.gz RJBCYIWLKJYRLM-KBPBESRZSA-N 1 1 267.413 3.395 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)CCC(C)(C)C ZINC001460299284 937525501 /nfs/dbraw/zinc/52/55/01/937525501.db2.gz YPMMMZZEYCQVSU-UHFFFAOYSA-N 1 1 260.381 3.435 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC001460341963 937527813 /nfs/dbraw/zinc/52/78/13/937527813.db2.gz VRDHZUVOHFZXNK-OAHLLOKOSA-N 1 1 284.403 3.319 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC001460670247 937539789 /nfs/dbraw/zinc/53/97/89/937539789.db2.gz LHMIHCPCCOFIBH-OLZOCXBDSA-N 1 1 253.386 3.005 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc([Si](C)(C)C)cc2)C1 ZINC001460755835 937543699 /nfs/dbraw/zinc/54/36/99/937543699.db2.gz DMFLPVWTVYTZOB-HNNXBMFYSA-N 1 1 271.480 3.077 20 30 CGEDMO N#Cc1ccnc(-c2ccc(C[N@@H+]3CC[C@H](F)C3)cc2)c1 ZINC001139402222 931952129 /nfs/dbraw/zinc/95/21/29/931952129.db2.gz ORIHMJWFLXCTMW-INIZCTEOSA-N 1 1 281.334 3.164 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1CCc1scnc1C ZINC001460889835 937551018 /nfs/dbraw/zinc/55/10/18/937551018.db2.gz LUXLAJCFJQLBGY-ZDUSSCGKSA-N 1 1 250.411 3.425 20 30 CGEDMO CC(C)O[C@@H]1CC[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140115520 931955971 /nfs/dbraw/zinc/95/59/71/931955971.db2.gz DXPYIZXYYLRBAT-OAHLLOKOSA-N 1 1 283.375 3.039 20 30 CGEDMO N#CCC[C@H](C#N)C[N@H+]1CCC[C@H](C2CCCC2)C1 ZINC001460954215 937555297 /nfs/dbraw/zinc/55/52/97/937555297.db2.gz YHGLGNPTKTVNMF-ZBFHGGJFSA-N 1 1 259.397 3.332 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)c1cccc(C2CC2)c1 ZINC001157166033 931979792 /nfs/dbraw/zinc/97/97/92/931979792.db2.gz WLROYQWUQTWZKY-OAHLLOKOSA-N 1 1 298.430 3.028 20 30 CGEDMO C[N@H+]1CCC[C@H](Oc2ccc3ccc(C#N)cc3c2)C1 ZINC001228968882 932061056 /nfs/dbraw/zinc/06/10/56/932061056.db2.gz SSBLKAJCUAZRTE-KRWDZBQOSA-N 1 1 266.344 3.184 20 30 CGEDMO CCC[N@@H+]1CCC[C@H]1CNCc1c(C)cc(C#N)cc1C ZINC001461493422 937583827 /nfs/dbraw/zinc/58/38/27/937583827.db2.gz HDBNQSAVLNLNOF-KRWDZBQOSA-N 1 1 285.435 3.139 20 30 CGEDMO CCC[N@H+]1CCC[C@H]1CNCc1c(C)cc(C#N)cc1C ZINC001461493422 937583828 /nfs/dbraw/zinc/58/38/28/937583828.db2.gz HDBNQSAVLNLNOF-KRWDZBQOSA-N 1 1 285.435 3.139 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[C@@H](C)CC)CC1 ZINC001230558041 932587762 /nfs/dbraw/zinc/58/77/62/932587762.db2.gz UZZVODZFFZTTFC-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C=C(C)C ZINC001230675642 932606945 /nfs/dbraw/zinc/60/69/45/932606945.db2.gz IPBPFJPBFNMPOM-INIZCTEOSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)c1ccoc1C ZINC001230703748 932610827 /nfs/dbraw/zinc/61/08/27/932610827.db2.gz ZPWPAZPEWUKJSJ-HIFRSBDPSA-N 1 1 290.407 3.089 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C=C1CCCCC1 ZINC001231043020 932665015 /nfs/dbraw/zinc/66/50/15/932665015.db2.gz OATQLHKDRVBNRS-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](F)C(F)(F)CC2)s1 ZINC001232842210 932683060 /nfs/dbraw/zinc/68/30/60/932683060.db2.gz OHIJUWUTNUBNBI-NSHDSACASA-N 1 1 274.311 3.189 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](F)C(F)(F)CC2)s1 ZINC001232842210 932683062 /nfs/dbraw/zinc/68/30/62/932683062.db2.gz OHIJUWUTNUBNBI-NSHDSACASA-N 1 1 274.311 3.189 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@](CF)(C(F)(F)F)C2)s1 ZINC001232842291 932683133 /nfs/dbraw/zinc/68/31/33/932683133.db2.gz VRENZTZWMWLTGF-NSHDSACASA-N 1 1 292.301 3.344 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@](CF)(C(F)(F)F)C2)s1 ZINC001232842291 932683138 /nfs/dbraw/zinc/68/31/38/932683138.db2.gz VRENZTZWMWLTGF-NSHDSACASA-N 1 1 292.301 3.344 20 30 CGEDMO CCCCCCC[N@@H+](CC)C[C@@H](O)COC(C)C ZINC001252674235 932722043 /nfs/dbraw/zinc/72/20/43/932722043.db2.gz GOFHBXXXHOPJHD-OAHLLOKOSA-N 1 1 259.434 3.065 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(Cl)o2)C1 ZINC001491907760 932796671 /nfs/dbraw/zinc/79/66/71/932796671.db2.gz AHKBMMFEQJXJEV-GFCCVEGCSA-N 1 1 296.798 3.046 20 30 CGEDMO C=CCCC(=O)NCC[N@@H+](C)Cc1ccc(C)cc1Cl ZINC001492212017 932810055 /nfs/dbraw/zinc/81/00/55/932810055.db2.gz BMAXBQHRHVFBNA-UHFFFAOYSA-N 1 1 294.826 3.163 20 30 CGEDMO C=CCCC(=O)NCC[N@H+](C)Cc1ccc(C)cc1Cl ZINC001492212017 932810059 /nfs/dbraw/zinc/81/00/59/932810059.db2.gz BMAXBQHRHVFBNA-UHFFFAOYSA-N 1 1 294.826 3.163 20 30 CGEDMO C=CCC(C)(C)C(=O)NCC[N@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001492434797 932816785 /nfs/dbraw/zinc/81/67/85/932816785.db2.gz HQWHVZQBYXQWHH-OAGGEKHMSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)CCC2CCC2)C1 ZINC001317370962 932856749 /nfs/dbraw/zinc/85/67/49/932856749.db2.gz PYGGYPGWYPWVPJ-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](CC[C@@H](C)c2ccccc2)C1 ZINC001338844555 932876625 /nfs/dbraw/zinc/87/66/25/932876625.db2.gz GHMOKPCUHOSIGA-WBVHZDCISA-N 1 1 259.393 3.457 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1cc(C(C)(C)C)oc1C ZINC001462459918 937643270 /nfs/dbraw/zinc/64/32/70/937643270.db2.gz PNXQZWWSFJLAQL-UHFFFAOYSA-N 1 1 277.408 3.357 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)[C@H](CCCC)C(=O)OC ZINC001307445192 932952929 /nfs/dbraw/zinc/95/29/29/932952929.db2.gz VRNIWGOXOGMIHU-QGZVFWFLSA-N 1 1 289.419 3.449 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)[C@H](CCCC)C(=O)OC ZINC001307445192 932952932 /nfs/dbraw/zinc/95/29/32/932952932.db2.gz VRNIWGOXOGMIHU-QGZVFWFLSA-N 1 1 289.419 3.449 20 30 CGEDMO Cc1cc(C[N@H+]2CCc3c(CC#N)cccc3C2)cc(C)n1 ZINC001462482623 937644637 /nfs/dbraw/zinc/64/46/37/937644637.db2.gz UKVHXTPHPYUMNW-UHFFFAOYSA-N 1 1 291.398 3.323 20 30 CGEDMO C#CCCCCCC[N@@H+]1CC(C)(C)OCC1(C)C ZINC001307481813 932960312 /nfs/dbraw/zinc/96/03/12/932960312.db2.gz JKENWORKOHKMAM-UHFFFAOYSA-N 1 1 251.414 3.460 20 30 CGEDMO C=C(C)C[C@H]([NH2+][C@H]1CCC[C@@H](CC)CC1)C(=O)OC ZINC001462506490 937646099 /nfs/dbraw/zinc/64/60/99/937646099.db2.gz PZEGUMNLCMASFW-ILXRZTDVSA-N 1 1 267.413 3.443 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)Cc1ccc(N(C)C)c(C)c1 ZINC001307728924 932992562 /nfs/dbraw/zinc/99/25/62/932992562.db2.gz HFHNNGGQYMHCRP-UHFFFAOYSA-N 1 1 289.467 3.001 20 30 CGEDMO C=CC[N@@H+](C)CCN(CC)Cc1ccc(N(C)C)c(C)c1 ZINC001307728924 932992565 /nfs/dbraw/zinc/99/25/65/932992565.db2.gz HFHNNGGQYMHCRP-UHFFFAOYSA-N 1 1 289.467 3.001 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)Cc1ccc(N(C)C)c(C)c1 ZINC001307728924 932992569 /nfs/dbraw/zinc/99/25/69/932992569.db2.gz HFHNNGGQYMHCRP-UHFFFAOYSA-N 1 1 289.467 3.001 20 30 CGEDMO C#CCOCC[N@H+](Cc1ccc(C)cc1)C(C)(C)C ZINC001307951603 933024408 /nfs/dbraw/zinc/02/44/08/933024408.db2.gz UKJBTCMYCCVGRO-UHFFFAOYSA-N 1 1 259.393 3.245 20 30 CGEDMO C#CC[N@H+](CC[C@@H](C)OCc1ccccc1)C(C)C ZINC001308097760 933048762 /nfs/dbraw/zinc/04/87/62/933048762.db2.gz JUQYTLNTLWISEB-MRXNPFEDSA-N 1 1 259.393 3.325 20 30 CGEDMO C=CCC[C@H]1CCC[N@H+]1CCc1nc2ccccc2c(=O)[nH]1 ZINC001308138326 933054814 /nfs/dbraw/zinc/05/48/14/933054814.db2.gz WWQKCUMMHMOZHR-AWEZNQCLSA-N 1 1 297.402 3.309 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1[C@H]1CCCO1 ZINC001308162505 933061003 /nfs/dbraw/zinc/06/10/03/933061003.db2.gz VPOKPHQUGKYCAG-QZTJIDSGSA-N 1 1 284.403 3.400 20 30 CGEDMO CC#CC[N@@H+](C)Cc1cccc(-c2ccccn2)c1 ZINC001308964740 933214877 /nfs/dbraw/zinc/21/48/77/933214877.db2.gz CMNXRMNYXQYANX-UHFFFAOYSA-N 1 1 250.345 3.204 20 30 CGEDMO C=CCCCC[C@@H](C)[NH2+]C[C@H]1CN2CCC1CC2 ZINC001308965973 933215062 /nfs/dbraw/zinc/21/50/62/933215062.db2.gz KDUQQLPLVPWWJK-ZBFHGGJFSA-N 1 1 250.430 3.053 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)c1ccoc1Cl ZINC001316822247 933475713 /nfs/dbraw/zinc/47/57/13/933475713.db2.gz YAZLHXHHOHHLKP-GFCCVEGCSA-N 1 1 298.814 3.339 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)CC(C)C)[C@H]1CC ZINC001316739259 933478490 /nfs/dbraw/zinc/47/84/90/933478490.db2.gz ORHRGMOQZHEGQL-IXDOHACOSA-N 1 1 292.467 3.051 20 30 CGEDMO C=C(C)CCC(=O)N1CCCC[C@H]1C[N@@H+](C)C/C=C\Cl ZINC001316802704 933482568 /nfs/dbraw/zinc/48/25/68/933482568.db2.gz PGYZTRDADYCHCQ-MLBQELRYSA-N 1 1 298.858 3.408 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](F)C(C)C)CC(C)(C)C1 ZINC001316810378 933485952 /nfs/dbraw/zinc/48/59/52/933485952.db2.gz GUUVFUKEHJTUSR-CABCVRRESA-N 1 1 298.446 3.163 20 30 CGEDMO C=CC[N@H+](C)CCCNC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC001316866267 933488341 /nfs/dbraw/zinc/48/83/41/933488341.db2.gz IRAUVMFBVJBLHZ-ZDUSSCGKSA-N 1 1 294.826 3.068 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC2(C)C)C1 ZINC001316942073 933499669 /nfs/dbraw/zinc/49/96/69/933499669.db2.gz XZSGNKGKULMUPP-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccoc2CC)C1 ZINC001316974945 933505847 /nfs/dbraw/zinc/50/58/47/933505847.db2.gz ACXXOODLSCRSKM-UONOGXRCSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccoc2CC)C1 ZINC001316974947 933505858 /nfs/dbraw/zinc/50/58/58/933505858.db2.gz ACXXOODLSCRSKM-ZIAGYGMSSA-N 1 1 290.407 3.001 20 30 CGEDMO C#CCCCCC(=O)N[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001316976173 933506214 /nfs/dbraw/zinc/50/62/14/933506214.db2.gz PMBKHJNVCZZVPC-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)CC ZINC001317049322 933521187 /nfs/dbraw/zinc/52/11/87/933521187.db2.gz QNZZHPFELGPCEI-OAGGEKHMSA-N 1 1 292.467 3.453 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)/C=C(\C)CC)C1 ZINC001317129781 933537991 /nfs/dbraw/zinc/53/79/91/933537991.db2.gz CDHHFJQOHIGUSJ-SFKKXYGYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC001317165609 933543771 /nfs/dbraw/zinc/54/37/71/933543771.db2.gz JHVLZAPPUNVMCQ-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO CCC(CC)C[N@@H+](C)[C@H]1CCCN(C(=O)C#CC(C)C)C1 ZINC001317373041 933579876 /nfs/dbraw/zinc/57/98/76/933579876.db2.gz JOMYRTUQPBSXHV-KRWDZBQOSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](C)C1CCC1 ZINC001317424387 933592335 /nfs/dbraw/zinc/59/23/35/933592335.db2.gz QHJKVRKNPPZLCE-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)CC1CC(C)(C)C1 ZINC001317457264 933594729 /nfs/dbraw/zinc/59/47/29/933594729.db2.gz PUJDJIOAODGTJN-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](CNC(=O)c2cccs2)C1 ZINC001317517117 933609800 /nfs/dbraw/zinc/60/98/00/933609800.db2.gz JVASYUXKVYJTIS-ZIAGYGMSSA-N 1 1 292.448 3.155 20 30 CGEDMO C#CCC[N@@H+](CCC)CCNC(=O)[C@H](C)[C@H](C)C(C)(C)C ZINC001317544655 933614482 /nfs/dbraw/zinc/61/44/82/933614482.db2.gz QWDFIHAZXHGYCI-CVEARBPZSA-N 1 1 294.483 3.156 20 30 CGEDMO C=CCC[N@@H+](CCC)CCNC(=O)[C@@H](C)C(C)(C)C ZINC001317541537 933615373 /nfs/dbraw/zinc/61/53/73/933615373.db2.gz XTPBFWOSJHGRQU-CQSZACIVSA-N 1 1 268.445 3.073 20 30 CGEDMO CC(C)[N@@H+](CCCNC(=O)[C@@H](C)C#N)CCCC(C)(C)C ZINC001317683509 933631682 /nfs/dbraw/zinc/63/16/82/933631682.db2.gz MJXGKXYENZWBRR-HNNXBMFYSA-N 1 1 295.471 3.189 20 30 CGEDMO C=C(Cl)C[N@H+](CCCNC(=O)c1ccc(C)o1)C(C)C ZINC001317678832 933631749 /nfs/dbraw/zinc/63/17/49/933631749.db2.gz MCTLXRXGJWEZIK-UHFFFAOYSA-N 1 1 298.814 3.171 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](CCNC(=O)C2CCCCCCC2)C1 ZINC001317792203 933650271 /nfs/dbraw/zinc/65/02/71/933650271.db2.gz JBEKKDBLGPBOCK-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCC(C)(C)C(=O)NCC[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001317802738 933651620 /nfs/dbraw/zinc/65/16/20/933651620.db2.gz LHQDMBLKBUKDOY-MRXNPFEDSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC)CCC)C1 ZINC001317856717 933658559 /nfs/dbraw/zinc/65/85/59/933658559.db2.gz JFGNQLUNMXREDO-HOTGVXAUSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[N@H+](C)CC1CCN(C(=O)C2CC(C)(C)C2)CC1 ZINC001317871427 933661337 /nfs/dbraw/zinc/66/13/37/933661337.db2.gz BGLBJXOTCYWPHJ-UHFFFAOYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC)CCCC)C1 ZINC001317924455 933665384 /nfs/dbraw/zinc/66/53/84/933665384.db2.gz UDIUHPIDBKACCC-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)CCC(=C)C)C1 ZINC001317972794 933669826 /nfs/dbraw/zinc/66/98/26/933669826.db2.gz KTSPVZGIPLDORB-CVEARBPZSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CCC[N@H+](CC[C@@H](C)F)C2)CCC1 ZINC001317981345 933671935 /nfs/dbraw/zinc/67/19/35/933671935.db2.gz IVHXTRKZLNQNJZ-CABCVRRESA-N 1 1 296.430 3.062 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)/C=C(\C)C2CC2)C1 ZINC001318003031 933674786 /nfs/dbraw/zinc/67/47/86/933674786.db2.gz BHUWIDVFTCWXBB-SDNWHVSQSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@](C)(CC)CCC ZINC001318220434 933696890 /nfs/dbraw/zinc/69/68/90/933696890.db2.gz WZKZQFKWMYMWJY-BQFCYCMXSA-N 1 1 292.467 3.454 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)c2ccccc2)C1 ZINC001318231444 933698853 /nfs/dbraw/zinc/69/88/53/933698853.db2.gz MFKLCLVSPMCNDU-KRWDZBQOSA-N 1 1 288.435 3.461 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC001318268553 933704154 /nfs/dbraw/zinc/70/41/54/933704154.db2.gz AJDFOTXQEWRRSF-DOTOQJQBSA-N 1 1 298.430 3.077 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)CC(C)=C(C)C)C1 ZINC001318421911 933723926 /nfs/dbraw/zinc/72/39/26/933723926.db2.gz GTJRCCLZPCSUEH-INIZCTEOSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)C2(CC)CCCC2)C1 ZINC001318443515 933727539 /nfs/dbraw/zinc/72/75/39/933727539.db2.gz ZGDDOTOWGYKAGV-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(CC)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC001466752568 937712059 /nfs/dbraw/zinc/71/20/59/937712059.db2.gz GYVSVBFJOSXVLJ-KRWDZBQOSA-N 1 1 286.419 3.076 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C)CC)CC2 ZINC001319139959 933832218 /nfs/dbraw/zinc/83/22/18/933832218.db2.gz MGCSKUDSAKUCOA-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)c1cccc(Cl)c1F ZINC001467727597 937721395 /nfs/dbraw/zinc/72/13/95/937721395.db2.gz MMYSRWCYFQXYKS-UHFFFAOYSA-N 1 1 298.789 3.059 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)C1=CCC(C)(C)CC1 ZINC001467728238 937721485 /nfs/dbraw/zinc/72/14/85/937721485.db2.gz AWURRVRABUZQNO-UHFFFAOYSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)C=C1CCC(C)CC1 ZINC001467727586 937721511 /nfs/dbraw/zinc/72/15/11/937721511.db2.gz LXPHFFGJAMBMHK-UHFFFAOYSA-N 1 1 278.440 3.089 20 30 CGEDMO COCC#CC[N@H+]1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC001319582459 933894958 /nfs/dbraw/zinc/89/49/58/933894958.db2.gz GTLLSARCFQEAOE-ZWKOTPCHSA-N 1 1 269.388 3.038 20 30 CGEDMO C#CCOCC[N@H+](C)[C@@H](C)c1ccc(F)c(Cl)c1 ZINC001319655071 933909215 /nfs/dbraw/zinc/90/92/15/933909215.db2.gz BWSJIENOLSGJPR-NSHDSACASA-N 1 1 269.747 3.122 20 30 CGEDMO C=CCCC(=O)N(C)CC[N@@H+](C)[C@@H](C)c1ccccc1F ZINC001319981847 933970678 /nfs/dbraw/zinc/97/06/78/933970678.db2.gz UJWKNZYIPHBPKC-AWEZNQCLSA-N 1 1 292.398 3.243 20 30 CGEDMO C=CCCC(=O)N(C)CC[N@H+](C)[C@@H](C)c1ccccc1F ZINC001319981847 933970679 /nfs/dbraw/zinc/97/06/79/933970679.db2.gz UJWKNZYIPHBPKC-AWEZNQCLSA-N 1 1 292.398 3.243 20 30 CGEDMO C=CC[N@H+](C)CCN(C)C(=O)c1cc(C)c(Cl)cc1C ZINC001320035099 933983583 /nfs/dbraw/zinc/98/35/83/933983583.db2.gz ZRABPXRKVOIQCM-UHFFFAOYSA-N 1 1 294.826 3.147 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@H]1C[C@H]1C1CCCC1 ZINC001320066250 933990185 /nfs/dbraw/zinc/99/01/85/933990185.db2.gz DCPLLAHKLYHGQW-IRXDYDNUSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@H](C)c1ccccc1 ZINC001320073155 933992753 /nfs/dbraw/zinc/99/27/53/933992753.db2.gz RYNGDEISTMUKHC-MRXNPFEDSA-N 1 1 288.435 3.147 20 30 CGEDMO C=C/C(C)=C\CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CC(=C)C)C1 ZINC001320105003 934001589 /nfs/dbraw/zinc/00/15/89/934001589.db2.gz VSSXVWIFRXDJKE-FHASGNSBSA-N 1 1 288.435 3.008 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCC(C)C)CC[C@H]21 ZINC001320113472 934002860 /nfs/dbraw/zinc/00/28/60/934002860.db2.gz YETWBDJJXALBLU-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC001320379751 934040846 /nfs/dbraw/zinc/04/08/46/934040846.db2.gz ZQOQLYVVLFRCAX-INIZCTEOSA-N 1 1 257.377 3.341 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](CC[C@H](C)OCc2ccccc2)C1 ZINC001320793205 934105636 /nfs/dbraw/zinc/10/56/36/934105636.db2.gz PYQUXNPNYNIYGK-FUHWJXTLSA-N 1 1 289.419 3.259 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](CCCc2cccc(C)c2)C1 ZINC001320899718 934119537 /nfs/dbraw/zinc/11/95/37/934119537.db2.gz VVEBZAYGYKCDRF-KRWDZBQOSA-N 1 1 259.393 3.205 20 30 CGEDMO C=CC[N@@H+](CC(=O)OC(C)C)CC1CCCCC1 ZINC001321755927 934209414 /nfs/dbraw/zinc/20/94/14/934209414.db2.gz IOTBNBJIBZDBGU-UHFFFAOYSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CC[N@H+](CC(=O)OC(C)C)CC1CCCCC1 ZINC001321755927 934209420 /nfs/dbraw/zinc/20/94/20/934209420.db2.gz IOTBNBJIBZDBGU-UHFFFAOYSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CCCCCCCCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C ZINC001470384016 937752153 /nfs/dbraw/zinc/75/21/53/937752153.db2.gz DIINUKCQGVBXBD-JKSUJKDBSA-N 1 1 295.471 3.295 20 30 CGEDMO C=CCCC(=O)N[C@@H](C)C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC001322124458 934247433 /nfs/dbraw/zinc/24/74/33/934247433.db2.gz SJGWAKJHQKWEMP-YOEHRIQHSA-N 1 1 286.419 3.077 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)c1cc(Cl)ccc1F ZINC001322198057 934259032 /nfs/dbraw/zinc/25/90/32/934259032.db2.gz ZSZKMWOVPNGJMH-LLVKDONJSA-N 1 1 298.789 3.105 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)c1c(C)cccc1C ZINC001322246943 934263865 /nfs/dbraw/zinc/26/38/65/934263865.db2.gz BLRWROXYWXGFKH-MRXNPFEDSA-N 1 1 288.435 3.320 20 30 CGEDMO C=CCC1(C(=O)N[C@@H](C)C[N@H+](C)CC[C@H](C)F)CCCC1 ZINC001322315477 934277278 /nfs/dbraw/zinc/27/72/78/934277278.db2.gz UNEPLOQMXYSFLW-GJZGRUSLSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CC[N@H+]1CCC1CCCCC1 ZINC001323199233 934373992 /nfs/dbraw/zinc/37/39/92/934373992.db2.gz ORYBNKLOKKKALD-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@H](CC)C(C)C)C2)C1 ZINC001323873201 934434540 /nfs/dbraw/zinc/43/45/40/934434540.db2.gz OAULTPTYEWOIHF-FUHWJXTLSA-N 1 1 292.467 3.169 20 30 CGEDMO CCC[N@@H+](CC)C[C@H](C)NC1CC(C#N)(c2ccccc2)C1 ZINC001323930142 934439295 /nfs/dbraw/zinc/43/92/95/934439295.db2.gz QQJWRLVSWTXSHI-IVMQYODDSA-N 1 1 299.462 3.320 20 30 CGEDMO CCCN(CC)C[C@H](C)[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001323930142 934439299 /nfs/dbraw/zinc/43/92/99/934439299.db2.gz QQJWRLVSWTXSHI-IVMQYODDSA-N 1 1 299.462 3.320 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@](C)(NC(=O)CCC2(C)CC2)C1 ZINC001324660699 934542799 /nfs/dbraw/zinc/54/27/99/934542799.db2.gz ISRDEINBDDGELI-KRWDZBQOSA-N 1 1 278.440 3.114 20 30 CGEDMO Cc1cc(NCC(C)(C)[N@H+]2CCC[C@H](C)C2)ncc1C#N ZINC001472685778 937780593 /nfs/dbraw/zinc/78/05/93/937780593.db2.gz PPHQITOKDSNILO-ZDUSSCGKSA-N 1 1 286.423 3.184 20 30 CGEDMO CC[N@@H+](Cc1ccc([Si](C)(C)C)cc1)C[C@H](C)C#N ZINC001473130748 937793572 /nfs/dbraw/zinc/79/35/72/937793572.db2.gz BVUJLMUJFNLFIN-CQSZACIVSA-N 1 1 274.484 3.213 20 30 CGEDMO CC[N@H+](Cc1ccc([Si](C)(C)C)cc1)C[C@H](C)C#N ZINC001473130748 937793574 /nfs/dbraw/zinc/79/35/74/937793574.db2.gz BVUJLMUJFNLFIN-CQSZACIVSA-N 1 1 274.484 3.213 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001473137731 937794152 /nfs/dbraw/zinc/79/41/52/937794152.db2.gz WBBDTGDVBABLPW-KGLIPLIRSA-N 1 1 282.428 3.282 20 30 CGEDMO CCC1(CC)C[N@@H+](Cc2cc(C#N)ccn2)CCS1 ZINC001473361113 937803542 /nfs/dbraw/zinc/80/35/42/937803542.db2.gz RJCHNBANXCRBPV-UHFFFAOYSA-N 1 1 275.421 3.061 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](C)CC)C1 ZINC001324909245 934870932 /nfs/dbraw/zinc/87/09/32/934870932.db2.gz JYIGWOSCQZACSN-NVXWUHKLSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C)CC)C1 ZINC001324909246 934871794 /nfs/dbraw/zinc/87/17/94/934871794.db2.gz JYIGWOSCQZACSN-RDJZCZTQSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC001324911981 934872918 /nfs/dbraw/zinc/87/29/18/934872918.db2.gz CUPVWIQKWMAMIW-GFCCVEGCSA-N 1 1 269.747 3.256 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cccc(F)c2Cl)C1 ZINC001324911981 934872925 /nfs/dbraw/zinc/87/29/25/934872925.db2.gz CUPVWIQKWMAMIW-GFCCVEGCSA-N 1 1 269.747 3.256 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](C)[C@@H]1C(=O)OC(C)(C)C ZINC001473571709 937811781 /nfs/dbraw/zinc/81/17/81/937811781.db2.gz OUOQEXHCZUIXHK-CHWSQXEVSA-N 1 1 253.386 3.005 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](C)[C@@H]1C(=O)OC(C)(C)C ZINC001473571709 937811783 /nfs/dbraw/zinc/81/17/83/937811783.db2.gz OUOQEXHCZUIXHK-CHWSQXEVSA-N 1 1 253.386 3.005 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2c(F)cc(C)cc2F)C1 ZINC001325884801 934937364 /nfs/dbraw/zinc/93/73/64/934937364.db2.gz NTFSPUVYSANNJO-GFCCVEGCSA-N 1 1 267.319 3.050 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2c(F)cc(C)cc2F)C1 ZINC001325884801 934937369 /nfs/dbraw/zinc/93/73/69/934937369.db2.gz NTFSPUVYSANNJO-GFCCVEGCSA-N 1 1 267.319 3.050 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)CCCC ZINC001325899422 934938124 /nfs/dbraw/zinc/93/81/24/934938124.db2.gz LTPINMBYJQMAOH-YESZJQIVSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H](F)CC ZINC001325895186 934938239 /nfs/dbraw/zinc/93/82/39/934938239.db2.gz DHAMHKULPPOMBQ-ARFHVFGLSA-N 1 1 296.430 3.156 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCCCCC ZINC001325915545 934939481 /nfs/dbraw/zinc/93/94/81/934939481.db2.gz DGIFTPWXKRGRCP-CVEARBPZSA-N 1 1 278.440 3.208 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CCc2ccc(C(C)C)cc2C1 ZINC001473624446 937814065 /nfs/dbraw/zinc/81/40/65/937814065.db2.gz ZHOMIFBBKPSAGC-KRWDZBQOSA-N 1 1 259.393 3.105 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCCC[C@@H]1[C@H](C)CO ZINC001473632375 937814855 /nfs/dbraw/zinc/81/48/55/937814855.db2.gz YDHLTSKBVROKBJ-CRAIPNDOSA-N 1 1 286.419 3.158 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC001473628072 937815007 /nfs/dbraw/zinc/81/50/07/937815007.db2.gz ZOOQEGVMHPXPKF-DOTOQJQBSA-N 1 1 284.403 3.080 20 30 CGEDMO C=C[C@H](COC)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC001326283579 934966077 /nfs/dbraw/zinc/96/60/77/934966077.db2.gz PIWIIBBXBNZGHD-VHSXEESVSA-N 1 1 289.297 3.263 20 30 CGEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2CCCCC)C1=O ZINC001473663146 937816391 /nfs/dbraw/zinc/81/63/91/937816391.db2.gz PFJWZFXSDOWVQW-HZPDHXFCSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C=C(CC)CC)C2 ZINC001327527146 935066801 /nfs/dbraw/zinc/06/68/01/935066801.db2.gz QKONTOOJGINSIP-GOSISDBHSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@@H+](CC2CC(C)(C)C2)[C@@H](C)C1 ZINC001328241515 935126428 /nfs/dbraw/zinc/12/64/28/935126428.db2.gz KDGMNTNRGYEIQV-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@H+](CC)CC1CCN(C(=O)[C@H](C)C2CC2)CC1 ZINC001328575237 935149121 /nfs/dbraw/zinc/14/91/21/935149121.db2.gz VYZIBZLHTCHFRB-OAHLLOKOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)C[C@@H](C=C)CC ZINC001328754025 935166110 /nfs/dbraw/zinc/16/61/10/935166110.db2.gz YRACJDDXRLLFFQ-JKSUJKDBSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)c1ccc(C=C)cc1 ZINC001328766455 935167836 /nfs/dbraw/zinc/16/78/36/935167836.db2.gz SBDDFSPOIGRIGN-QGZVFWFLSA-N 1 1 284.403 3.052 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@H]1C[N@H+](C)CC(=C)C ZINC001328765713 935168134 /nfs/dbraw/zinc/16/81/34/935168134.db2.gz NYTDRYNRHHSBHO-HNNXBMFYSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCCC)C2)C1 ZINC001328809898 935170918 /nfs/dbraw/zinc/17/09/18/935170918.db2.gz VBCRTTPBCZBXHO-DLBZAZTESA-N 1 1 292.467 3.313 20 30 CGEDMO C[C@H](CNC(=O)C#CC(C)(C)C)[N@@H+](C)CCCC1CCC1 ZINC001329430314 935215673 /nfs/dbraw/zinc/21/56/73/935215673.db2.gz CKZMGIRMGHOQHX-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)CNC(=O)c1ccccc1C(C)(C)C ZINC001329468051 935218119 /nfs/dbraw/zinc/21/81/19/935218119.db2.gz BGKXDTQZLOSZNL-CQSZACIVSA-N 1 1 288.435 3.220 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)C[C@@H]1C=CCCC1 ZINC001329476311 935219413 /nfs/dbraw/zinc/21/94/13/935219413.db2.gz YZMWORFNQCYPMK-JKSUJKDBSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccsc1 ZINC001329560902 935228017 /nfs/dbraw/zinc/22/80/17/935228017.db2.gz PPNYRYSJWUSVLX-CYBMUJFWSA-N 1 1 294.464 3.287 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)c1ccccc1C ZINC001329623138 935233852 /nfs/dbraw/zinc/23/38/52/935233852.db2.gz IHJBABVXDUISPN-HOTGVXAUSA-N 1 1 288.435 3.111 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)/C=C(\C)C2CC2)C(C)(C)C1 ZINC001330175624 935273226 /nfs/dbraw/zinc/27/32/26/935273226.db2.gz KRXJIZIWSSRHHM-UKYUDJEDSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CCC2CC2)CC1(C)C ZINC001330231008 935278572 /nfs/dbraw/zinc/27/85/72/935278572.db2.gz VAKNDUKMMFBENK-CRAIPNDOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)/C(C)=C\C)C2)C1 ZINC001330490139 935291172 /nfs/dbraw/zinc/29/11/72/935291172.db2.gz YHXGINMHIJITTF-PJVYJYFWSA-N 1 1 290.451 3.232 20 30 CGEDMO CC(=[NH+]N[C@@H]1CC(C)(C)OC1(C)C)c1cc(N)ccc1F ZINC001330922951 935334365 /nfs/dbraw/zinc/33/43/65/935334365.db2.gz CLORLKWRIODJTQ-CQSZACIVSA-N 1 1 293.386 3.068 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)C[C@@H]2CC[C@@H](C)C2)CC1 ZINC001331038406 935345161 /nfs/dbraw/zinc/34/51/61/935345161.db2.gz DUYIQEHGXMZMTC-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CCC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001331432019 935378910 /nfs/dbraw/zinc/37/89/10/935378910.db2.gz GJEZBOQEZAKWHG-CQSZACIVSA-N 1 1 294.439 3.141 20 30 CGEDMO C=CCCC(=O)N[C@@]12CCC[C@@H]1[N@@H+](CC1CCCC1)CC2 ZINC001332083085 935438334 /nfs/dbraw/zinc/43/83/34/935438334.db2.gz QXSIWOTWLBVKOY-FUHWJXTLSA-N 1 1 290.451 3.256 20 30 CGEDMO C=C(C)CCC(=O)N[C@]12CCC[C@H]1[N@@H+](CC(=C)C)CC2 ZINC001332090680 935438602 /nfs/dbraw/zinc/43/86/02/935438602.db2.gz MUMCSFGMSLZYJO-WBVHZDCISA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCCCC(=O)N[C@@]12CCC[C@H]1[N@@H+](CCCC=C)CC2 ZINC001332110308 935440885 /nfs/dbraw/zinc/44/08/85/935440885.db2.gz IMLGWXTVFPXSDC-SJLPKXTDSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C2(CF)CCC2)[C@@H]1C ZINC001332204623 935448805 /nfs/dbraw/zinc/44/88/05/935448805.db2.gz HYWXIXJALOJMGA-LSDHHAIUSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)[C@@H]1CCC1(C)C)C(C)C ZINC001332722112 935484311 /nfs/dbraw/zinc/48/43/11/935484311.db2.gz FQYFQQPBKVWEBQ-HNNXBMFYSA-N 1 1 280.456 3.168 20 30 CGEDMO N#CCC1(C[NH+]2CCC(C(=O)c3cccs3)CC2)CC1 ZINC001333403253 935533140 /nfs/dbraw/zinc/53/31/40/935533140.db2.gz WKBMGOYTXNYGHV-UHFFFAOYSA-N 1 1 288.416 3.337 20 30 CGEDMO N#Cc1cccc(C#N)c1NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC001334931328 936122360 /nfs/dbraw/zinc/12/23/60/936122360.db2.gz RDVFFNBTQWGIAS-QGZVFWFLSA-N 1 1 294.402 3.249 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001335941997 936167960 /nfs/dbraw/zinc/16/79/60/936167960.db2.gz LCVPZCCEHZVQOV-KGLIPLIRSA-N 1 1 294.439 3.023 20 30 CGEDMO C[N@@H+](Cc1cc(F)cc(F)c1)CC1(CC#N)CC1 ZINC001336773048 936216101 /nfs/dbraw/zinc/21/61/01/936216101.db2.gz AXSXGAWHMBFXIT-UHFFFAOYSA-N 1 1 250.292 3.090 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2cc3ccccc3o2)C1 ZINC001337648414 936276907 /nfs/dbraw/zinc/27/69/07/936276907.db2.gz DKFPCRCKNRLINS-AWEZNQCLSA-N 1 1 257.333 3.210 20 30 CGEDMO CCCCCCCCCCN1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001473774552 937821971 /nfs/dbraw/zinc/82/19/71/937821971.db2.gz HJESSWPHNLWPPN-ZWKOTPCHSA-N 1 1 296.499 3.268 20 30 CGEDMO CCCCCCCCCC[N@@H+]1C[C@@H]2CCCN2C[C@@H]1CO ZINC001473774552 937821972 /nfs/dbraw/zinc/82/19/72/937821972.db2.gz HJESSWPHNLWPPN-ZWKOTPCHSA-N 1 1 296.499 3.268 20 30 CGEDMO CCCCCCCCCC[N@H+]1C[C@@H]2CCCN2C[C@@H]1CO ZINC001473774552 937821974 /nfs/dbraw/zinc/82/19/74/937821974.db2.gz HJESSWPHNLWPPN-ZWKOTPCHSA-N 1 1 296.499 3.268 20 30 CGEDMO N#Cc1ccnc(C[N@@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)c1 ZINC001473802798 937822458 /nfs/dbraw/zinc/82/24/58/937822458.db2.gz USZSULVOKZHYOT-JSGCOSHPSA-N 1 1 295.308 3.118 20 30 CGEDMO C=CC1CC[NH+](Cc2cc(F)cc(F)c2O)CC1 ZINC001474311390 937850676 /nfs/dbraw/zinc/85/06/76/937850676.db2.gz KDFKMPCAXXDGQW-UHFFFAOYSA-N 1 1 253.292 3.068 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[NH+]1CC(C(C)C)C1 ZINC001474480771 937862523 /nfs/dbraw/zinc/86/25/23/937862523.db2.gz WOEGITFNKHPIEY-UHFFFAOYSA-N 1 1 277.795 3.440 20 30 CGEDMO C=CCC[C@H]([NH2+]C1C[C@H](C)C[C@@H](C)C1)C(=O)OCC ZINC001474528611 937864985 /nfs/dbraw/zinc/86/49/85/937864985.db2.gz RPSYOASFOIPIBO-NFAWXSAZSA-N 1 1 267.413 3.299 20 30 CGEDMO CC#CC[N@@H+](C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC001474734324 937878015 /nfs/dbraw/zinc/87/80/15/937878015.db2.gz QTANYXZOJFAUKD-UHFFFAOYSA-N 1 1 259.246 3.300 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(F)CCCCC1 ZINC001479253850 937918493 /nfs/dbraw/zinc/91/84/93/937918493.db2.gz DFDUGBKNJWALMC-HNNXBMFYSA-N 1 1 296.430 3.158 20 30 CGEDMO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)CCC(C)(C)C ZINC001479261666 937918499 /nfs/dbraw/zinc/91/84/99/937918499.db2.gz YSHVFWAFEHHHGR-GJZGRUSLSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)CCC(C)(C)C ZINC001479261666 937918501 /nfs/dbraw/zinc/91/85/01/937918501.db2.gz YSHVFWAFEHHHGR-GJZGRUSLSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CC[N@@H+](CC(C)C)[C@@H]1CC ZINC001479636382 937923505 /nfs/dbraw/zinc/92/35/05/937923505.db2.gz XWELNSKFWGJIEO-DLBZAZTESA-N 1 1 292.467 3.380 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C/C=C(/C)C=C ZINC001479739283 937924856 /nfs/dbraw/zinc/92/48/56/937924856.db2.gz WURWQWPYGXWIIP-NIFLVVHWSA-N 1 1 290.451 3.398 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCCC[C@H]1C[N@@H+](C)CCCF ZINC001479738262 937924915 /nfs/dbraw/zinc/92/49/15/937924915.db2.gz DMSWQXKWTUQMTK-HOTGVXAUSA-N 1 1 298.446 3.261 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)C(C)C)CC(C)(C)C1 ZINC001479747195 937925467 /nfs/dbraw/zinc/92/54/67/937925467.db2.gz YHPLJMBAXPRZIL-CVEARBPZSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CC[N@@H+](C)CCCNC(=O)c1occc1-c1ccccc1 ZINC001479783080 937925720 /nfs/dbraw/zinc/92/57/20/937925720.db2.gz IAQXAOOHMASWLM-UHFFFAOYSA-N 1 1 298.386 3.184 20 30 CGEDMO CC#CC[N@@H+](C)CCCNC(=O)c1ccccc1C1CCC1 ZINC001479811030 937926450 /nfs/dbraw/zinc/92/64/50/937926450.db2.gz YWHXIUKYKDJQNR-UHFFFAOYSA-N 1 1 298.430 3.029 20 30 CGEDMO C#CC[N@@H+](CC)CCCNC(=O)CC1CCC(C)(C)CC1 ZINC001479861953 937927318 /nfs/dbraw/zinc/92/73/18/937927318.db2.gz DERLLRKYKAOGQO-UHFFFAOYSA-N 1 1 292.467 3.054 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H](NC(=O)[C@@H](F)CC)C1 ZINC001479909372 937928735 /nfs/dbraw/zinc/92/87/35/937928735.db2.gz VQVQLYWJIMMSEN-GJZGRUSLSA-N 1 1 286.435 3.286 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](CCCC)C(C)C)C1 ZINC001479914960 937929186 /nfs/dbraw/zinc/92/91/86/937929186.db2.gz BJGPFTBBRDNUKN-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@](C)(CC)CCC)C1 ZINC001479912542 937929224 /nfs/dbraw/zinc/92/92/24/937929224.db2.gz OMINBILEJZHLMV-DOTOQJQBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[N@H+](CC/C=C/CCC)C1 ZINC001479960417 937929358 /nfs/dbraw/zinc/92/93/58/937929358.db2.gz KDKLPYWPMKBQRW-XVJNWHFHSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)C(C)C)C1 ZINC001480266781 937934944 /nfs/dbraw/zinc/93/49/44/937934944.db2.gz YMINHCGVRHIJCK-HOTGVXAUSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](CNC(=O)C2(C)CC2)C1 ZINC001480254061 937935181 /nfs/dbraw/zinc/93/51/81/937935181.db2.gz SGVWJWSKAABCHU-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)C1(CC)CCCC1 ZINC001480331880 937936824 /nfs/dbraw/zinc/93/68/24/937936824.db2.gz OEVBYNKADDPVDP-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(F)=C2CCCC2)C1 ZINC001480378311 937937808 /nfs/dbraw/zinc/93/78/08/937937808.db2.gz PWFGKQHOCQXAJL-UKRRQHHQSA-N 1 1 294.414 3.187 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)C2CCC2)C1 ZINC001480731084 937942693 /nfs/dbraw/zinc/94/26/93/937942693.db2.gz NLQIZEDNWCVLGP-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)C(C)(C)CCC ZINC001480828297 937944881 /nfs/dbraw/zinc/94/48/81/937944881.db2.gz NOKWHYLZOOGCNO-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H](CNC(=O)CCC2CCCC2)C1 ZINC001493175723 937948057 /nfs/dbraw/zinc/94/80/57/937948057.db2.gz MWBNRQJIANWLTJ-QGZVFWFLSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](CNC(=O)/C(C)=C/C)C1 ZINC001493194618 937948719 /nfs/dbraw/zinc/94/87/19/937948719.db2.gz XVSWFSOAGBSFKF-UZPPOTPCSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)CC(C)C)C1 ZINC001493250895 937949058 /nfs/dbraw/zinc/94/90/58/937949058.db2.gz ANVANYMDAUEGAT-OAHLLOKOSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)[C@@H]1CCCCC1(C)C)C1CC1 ZINC001493452712 937950527 /nfs/dbraw/zinc/95/05/27/937950527.db2.gz XYMDYABCTQQQGT-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO CC(C)C#CC(=O)NCCC[N@H+](CCCC(C)C)C(C)C ZINC001493858045 937951397 /nfs/dbraw/zinc/95/13/97/937951397.db2.gz MOGPMBHJKZWWJY-UHFFFAOYSA-N 1 1 294.483 3.299 20 30 CGEDMO C=CC(C)(C)C(=O)NCCC[N@@H+](CC1CCC1)C(C)C ZINC001493866226 937951701 /nfs/dbraw/zinc/95/17/01/937951701.db2.gz CXDXXYCGTLWIOS-UHFFFAOYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](CCNC(=O)C(F)=C2CCCC2)C1 ZINC001494003622 937952651 /nfs/dbraw/zinc/95/26/51/937952651.db2.gz IHHUZGQEJUNLNJ-AWEZNQCLSA-N 1 1 294.414 3.188 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](CCNC(=O)CC2CCCCC2)C1 ZINC001493986534 937952856 /nfs/dbraw/zinc/95/28/56/937952856.db2.gz VONYRLCBEHNVLL-QGZVFWFLSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccsc2C)C1 ZINC001494133012 937953301 /nfs/dbraw/zinc/95/33/01/937953301.db2.gz MTLHTFAKYOAVHO-CQSZACIVSA-N 1 1 292.448 3.027 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@](C)(CC)CCC)C1 ZINC001494165596 937953660 /nfs/dbraw/zinc/95/36/60/937953660.db2.gz FMOIUPVIVQVINP-NVXWUHKLSA-N 1 1 280.456 3.169 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)[C@@H]2C[C@]2(C)C(C)C)C1 ZINC001494473494 937954802 /nfs/dbraw/zinc/95/48/02/937954802.db2.gz QRVQENUDRVBKOC-FUHWJXTLSA-N 1 1 294.483 3.439 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(C)(C)CC ZINC001494656520 937955606 /nfs/dbraw/zinc/95/56/06/937955606.db2.gz UMRPAHGFRVHFAI-PMPSAXMXSA-N 1 1 292.467 3.453 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](CC)CCCC)C1 ZINC001494800210 937956362 /nfs/dbraw/zinc/95/63/62/937956362.db2.gz BROXEFIVVSPSDA-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)[C@H](C)C(CC)CC ZINC001496733617 937964012 /nfs/dbraw/zinc/96/40/12/937964012.db2.gz LVUIGBHZNAIVCG-CQSZACIVSA-N 1 1 268.445 3.025 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)C1CCC(=C)CC1 ZINC001496776479 937963851 /nfs/dbraw/zinc/96/38/51/937963851.db2.gz CIDVMWXHLZAYFX-INIZCTEOSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)C[C@H](CC)C(C)(C)C ZINC001496819077 937964298 /nfs/dbraw/zinc/96/42/98/937964298.db2.gz PXBUYOJIZCKREZ-HNNXBMFYSA-N 1 1 282.472 3.415 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@]1(C)CC=CCC1 ZINC001498296075 937968863 /nfs/dbraw/zinc/96/88/63/937968863.db2.gz ONWWBHYOQLAXDZ-WBVHZDCISA-N 1 1 278.440 3.136 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(C)C ZINC001499554875 937973644 /nfs/dbraw/zinc/97/36/44/937973644.db2.gz JRDOOICTHPXLFV-ZACQAIPSSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H](C)CC ZINC001499511937 937973804 /nfs/dbraw/zinc/97/38/04/937973804.db2.gz MYLJMCBIDCLZIO-ZACQAIPSSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCCC(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC001499574345 937974005 /nfs/dbraw/zinc/97/40/05/937974005.db2.gz REXGPSFGUYWXSY-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@]2(C1)CCCCN(C(C)=O)C2 ZINC001500154495 937976007 /nfs/dbraw/zinc/97/60/07/937976007.db2.gz KDJSGZZPCKWUCQ-RDJZCZTQSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001500261971 937976559 /nfs/dbraw/zinc/97/65/59/937976559.db2.gz ZADCOACCBNXOTI-JFIYKMOQSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)C=C(C)C)C1 ZINC001500472783 937977528 /nfs/dbraw/zinc/97/75/28/937977528.db2.gz YYSWPNQPUONXNC-QGZVFWFLSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)CCC(=O)NC[C@]1(C)CCC[N@H+](C[C@@H](F)CC)C1 ZINC001500497870 937977872 /nfs/dbraw/zinc/97/78/72/937977872.db2.gz BTRPZQSXEGYRNX-RDJZCZTQSA-N 1 1 298.446 3.309 20 30 CGEDMO C=CCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CCCC1)C2 ZINC001500999573 937978298 /nfs/dbraw/zinc/97/82/98/937978298.db2.gz JHGBXJYZCZHZBK-ULQDDVLXSA-N 1 1 290.451 3.112 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC ZINC001501368020 937979324 /nfs/dbraw/zinc/97/93/24/937979324.db2.gz AZKOUPGNPYFXFU-HOTGVXAUSA-N 1 1 280.456 3.432 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC(CC)CC ZINC001501403062 937979393 /nfs/dbraw/zinc/97/93/93/937979393.db2.gz CONSYQXJUIQYQP-IRXDYDNUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2CCCN(C(=O)CCC)[C@@H]2C1 ZINC001501407594 937979397 /nfs/dbraw/zinc/97/93/97/937979397.db2.gz DTMOSGIDQWBHTG-HRCADAONSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[N@@H+]1CCc2c(CNC(=O)CCC)cccc2C1 ZINC001501850744 937980567 /nfs/dbraw/zinc/98/05/67/937980567.db2.gz IALTWSDGEXCEEI-UHFFFAOYSA-N 1 1 286.419 3.037 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@](C)(F)CCCC)CC1 ZINC001502127987 937981185 /nfs/dbraw/zinc/98/11/85/937981185.db2.gz ZBIVMCQWFAVRDS-NVXWUHKLSA-N 1 1 298.446 3.452 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CCC[N@H+](C[C@@H](F)CC)CC1 ZINC001502135018 937981236 /nfs/dbraw/zinc/98/12/36/937981236.db2.gz FPBXCWPXODXNFM-LSDHHAIUSA-N 1 1 284.419 3.062 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC001502123792 937981457 /nfs/dbraw/zinc/98/14/57/937981457.db2.gz DVMITGFZDBDOIR-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@H+](C)CCCN(C)C(=O)c1cccc(C)c1 ZINC001502157007 937981660 /nfs/dbraw/zinc/98/16/60/937981660.db2.gz YYRDDXZRRCPLTK-UHFFFAOYSA-N 1 1 288.435 3.355 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)C1CCCCCC1 ZINC001502165079 937981979 /nfs/dbraw/zinc/98/19/79/937981979.db2.gz KTSBSHQFGSTEFR-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CC[N@H+](C)CCCN(C)C(=O)CCC1CCCCC1 ZINC001502395414 937982486 /nfs/dbraw/zinc/98/24/86/937982486.db2.gz VCUXSOIMETVJCL-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC2CCC2)CC1(C)C ZINC001502830682 937983467 /nfs/dbraw/zinc/98/34/67/937983467.db2.gz MCORDXJIMPRRSO-HNNXBMFYSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@@H+](Cc2ccsc2)[C@@H](C)C1 ZINC001502907368 937983636 /nfs/dbraw/zinc/98/36/36/937983636.db2.gz VWOFMNUNRCCGLS-ZFWWWQNUSA-N 1 1 292.448 3.183 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)CCC1CC1 ZINC001505446879 937985519 /nfs/dbraw/zinc/98/55/19/937985519.db2.gz UNRDBDYIQUMYQP-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1ccccc1C ZINC001505860901 937987485 /nfs/dbraw/zinc/98/74/85/937987485.db2.gz DKGYBYKNRDWNBD-HZPDHXFCSA-N 1 1 288.435 3.400 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)/C=C(\C)C1CC1 ZINC001505879915 937987832 /nfs/dbraw/zinc/98/78/32/937987832.db2.gz WHHCMIGPBMHZGT-CYAURGIBSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)[C@H](C)c1ccc(C)o1 ZINC001506017865 937988773 /nfs/dbraw/zinc/98/87/73/937988773.db2.gz SJJPHFSDFXLPGW-UKRRQHHQSA-N 1 1 292.423 3.094 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)C[C@H](CC)C(C)C)CCC[C@H]12 ZINC001507353025 937995322 /nfs/dbraw/zinc/99/53/22/937995322.db2.gz RMXUBWBFNBEGHD-XYJFISCASA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C(=O)[C@@H](C)CC)C(C)C ZINC001507759453 937996713 /nfs/dbraw/zinc/99/67/13/937996713.db2.gz GWHXAKSXAXZCCI-HNNXBMFYSA-N 1 1 268.445 3.168 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)[C@H](C)C(C)C)C(C)C ZINC001507841691 937997212 /nfs/dbraw/zinc/99/72/12/937997212.db2.gz OREFXDKJDMGPJV-OAHLLOKOSA-N 1 1 268.445 3.023 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCC1=CC[N@H+](C/C=C\Cl)CC1 ZINC001508219134 937998811 /nfs/dbraw/zinc/99/88/11/937998811.db2.gz CBHICXSERYLCSX-HWYHOQROSA-N 1 1 296.842 3.090 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCC1=CC[N@@H+](C/C=C\Cl)CC1 ZINC001508219134 937998812 /nfs/dbraw/zinc/99/88/12/937998812.db2.gz CBHICXSERYLCSX-HWYHOQROSA-N 1 1 296.842 3.090 20 30 CGEDMO CC[N@H+]1CC[C@H](N(C)c2cc(C)cc(F)c2C#N)[C@H](C)C1 ZINC001559113743 938220607 /nfs/dbraw/zinc/22/06/07/938220607.db2.gz VPSSFDGYIXAHAK-CJNGLKHVSA-N 1 1 289.398 3.172 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CC[C@@H](c2ccc(OC)cc2)C1 ZINC001559517349 938228122 /nfs/dbraw/zinc/22/81/22/938228122.db2.gz PCJYSUDISNDRSS-GOEBONIOSA-N 1 1 257.377 3.286 20 30 CGEDMO C=CC[C@@H](C)[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC001559538159 938228895 /nfs/dbraw/zinc/22/88/95/938228895.db2.gz QNYGVCDFONKDCA-GDBMZVCRSA-N 1 1 272.392 3.078 20 30 CGEDMO C#CC[N@@H+](CC#CC)Cc1cccc(OC(F)(F)F)c1 ZINC001559566795 938229679 /nfs/dbraw/zinc/22/96/79/938229679.db2.gz NTUSQOATKYKRHW-UHFFFAOYSA-N 1 1 281.277 3.044 20 30 CGEDMO C#CC[N@H+](CC#CC)Cc1cccc(OC(F)(F)F)c1 ZINC001559566795 938229680 /nfs/dbraw/zinc/22/96/80/938229680.db2.gz NTUSQOATKYKRHW-UHFFFAOYSA-N 1 1 281.277 3.044 20 30 CGEDMO C#CCOCC[N@H+]1CCC[C@H]1CCCc1ccccc1 ZINC001559650065 938231704 /nfs/dbraw/zinc/23/17/04/938231704.db2.gz VTZGQPOYGAWSKX-GOSISDBHSA-N 1 1 271.404 3.124 20 30 CGEDMO CCc1ccc([C@@H]2CCC[N@@H+](CC#CCOC)C2)cc1 ZINC001559814395 938236480 /nfs/dbraw/zinc/23/64/80/938236480.db2.gz IOVMLYIITTXUJO-GOSISDBHSA-N 1 1 271.404 3.078 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCCCC[C@H]1CCO ZINC001559834219 938236557 /nfs/dbraw/zinc/23/65/57/938236557.db2.gz ZUQGHSVCDINBQC-KRWDZBQOSA-N 1 1 286.419 3.302 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC001559911494 938238438 /nfs/dbraw/zinc/23/84/38/938238438.db2.gz LGGZHPZTIGBJIT-GOSISDBHSA-N 1 1 288.435 3.086 20 30 CGEDMO C=CCCCC[N@H+](CC(=O)OC(C)(C)C)CC1CC1 ZINC001559970868 938240758 /nfs/dbraw/zinc/24/07/58/938240758.db2.gz NKNYMLJRORHQIN-UHFFFAOYSA-N 1 1 267.413 3.396 20 30 CGEDMO CC#CC[N@H+]([C@H](C)COC)[C@@H]1CCc2ccccc21 ZINC001560045879 938242386 /nfs/dbraw/zinc/24/23/86/938242386.db2.gz VGCJUFAOMDDLLV-RHSMWYFYSA-N 1 1 257.377 3.034 20 30 CGEDMO CO[C@H]1CC[C@@H](C)[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001560063893 938242787 /nfs/dbraw/zinc/24/27/87/938242787.db2.gz LJXIAAGKDLTXRZ-CJNGLKHVSA-N 1 1 277.795 3.191 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)CCc1ccccc1F ZINC001560084619 938243630 /nfs/dbraw/zinc/24/36/30/938243630.db2.gz WXGRKSRYRYYZGZ-UHFFFAOYSA-N 1 1 282.362 3.414 20 30 CGEDMO C#CC[N@H+](CCOc1ccccc1Br)C(C)C ZINC001560164543 938245845 /nfs/dbraw/zinc/24/58/45/938245845.db2.gz ATUFBYJAGRORRT-UHFFFAOYSA-N 1 1 296.208 3.172 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)OCCCC ZINC001560199693 938246793 /nfs/dbraw/zinc/24/67/93/938246793.db2.gz BAYNNCGFXFIHLH-KBPBESRZSA-N 1 1 253.386 3.149 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@@]12CCCOC2 ZINC001560237807 938248436 /nfs/dbraw/zinc/24/84/36/938248436.db2.gz FKWQRWHPSLCZPW-SFHVURJKSA-N 1 1 284.403 3.402 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1cn(C)nc1C1CCCCC1 ZINC001560348539 938254271 /nfs/dbraw/zinc/25/42/71/938254271.db2.gz DWDBENZSCBXWMR-UHFFFAOYSA-N 1 1 267.804 3.310 20 30 CGEDMO COCc1c(C)cc(C)c(C[NH2+][C@@H](C)CC#N)c1C ZINC001560574425 938263641 /nfs/dbraw/zinc/26/36/41/938263641.db2.gz BZOJUHODSJRZTG-ZDUSSCGKSA-N 1 1 260.381 3.150 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1cn(-c2ccccc2C)nn1 ZINC001561037750 938290915 /nfs/dbraw/zinc/29/09/15/938290915.db2.gz SHQZTTDWBRYKFH-UHFFFAOYSA-N 1 1 284.407 3.364 20 30 CGEDMO C=CC(C)(C)[NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC001561041913 938291307 /nfs/dbraw/zinc/29/13/07/938291307.db2.gz JUEOANOTYYTKDT-UHFFFAOYSA-N 1 1 294.761 3.114 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC[C@H](C[N@@H+](C)CCC(C)C)C1 ZINC001317847923 957900787 /nfs/dbraw/zinc/90/07/87/957900787.db2.gz JDCSIGCZNFZUHJ-DLBZAZTESA-N 1 1 294.483 3.415 20 30 CGEDMO C=C(C)C[N@@H+](C)CCC1CCN(C(=O)CC2(C)CC2)CC1 ZINC001319878742 958794415 /nfs/dbraw/zinc/79/44/15/958794415.db2.gz AZDFNCPZYSTVLV-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)Cc1ccsc1C ZINC001570740658 960457470 /nfs/dbraw/zinc/45/74/70/960457470.db2.gz TUKSSJFJLIJZST-CYBMUJFWSA-N 1 1 294.464 3.002 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@@]1(C)CCC(C)=C(C)C1 ZINC001570753655 960460733 /nfs/dbraw/zinc/46/07/33/960460733.db2.gz NJADVKJKPKDUBA-RDJZCZTQSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCCC)CC(C)(C)C1 ZINC001566127848 960557928 /nfs/dbraw/zinc/55/79/28/960557928.db2.gz IHXZLIQEZNKCGZ-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)CC2(C)CCCC2)C1 ZINC001567727463 960599537 /nfs/dbraw/zinc/59/95/37/960599537.db2.gz JLDFGHXMZOJSDI-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H](C)CCC)C1 ZINC001567695831 960600524 /nfs/dbraw/zinc/60/05/24/960600524.db2.gz GSXYANRROKZPKM-TZMCWYRMSA-N 1 1 286.847 3.003 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H](CC)C(C)C)C1 ZINC001567925850 960602812 /nfs/dbraw/zinc/60/28/12/960602812.db2.gz UXVRDANYCHOWCS-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCCC(=O)N(C)[C@H]1CC[N@H+]([C@@H](C)CCC=C)C1 ZINC001567920259 960603513 /nfs/dbraw/zinc/60/35/13/960603513.db2.gz ALQXNBGDWFDTPT-HOTGVXAUSA-N 1 1 278.440 3.230 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC001565183421 960747501 /nfs/dbraw/zinc/74/75/01/960747501.db2.gz BVPANFNIAJHPHD-CQSZACIVSA-N 1 1 283.460 3.007 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(CCC)CC1 ZINC001565827163 960831050 /nfs/dbraw/zinc/83/10/50/960831050.db2.gz ZYFPKEOUVDNDEC-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C#CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C=C(CC)CC ZINC001566119490 960897287 /nfs/dbraw/zinc/89/72/87/960897287.db2.gz IHHJIQCFXVTWOS-KRWDZBQOSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CC[N@@H+](C)CCCNC(=O)c1cc(C)c(Cl)cc1C ZINC001566479816 960939894 /nfs/dbraw/zinc/93/98/94/960939894.db2.gz DQYLBCSITVDEPF-UHFFFAOYSA-N 1 1 294.826 3.195 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)C1C[C@@H](C)C[C@H](C)C1 ZINC001566577063 960964092 /nfs/dbraw/zinc/96/40/92/960964092.db2.gz KZKFKOZSGUDTNN-HOTGVXAUSA-N 1 1 294.483 3.463 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)CC(C)(C)C)C1 ZINC001566633597 960968951 /nfs/dbraw/zinc/96/89/51/960968951.db2.gz SUEHMIBOCASPOI-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)CC(C)(C)C)C1 ZINC001566633597 960968955 /nfs/dbraw/zinc/96/89/55/960968955.db2.gz SUEHMIBOCASPOI-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)CC(C)(C)CC)C1 ZINC001566740108 960993547 /nfs/dbraw/zinc/99/35/47/960993547.db2.gz QEBAEQPVMSPQSG-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@H](C)SC ZINC001566919668 961063829 /nfs/dbraw/zinc/06/38/29/961063829.db2.gz DWEGCKXQBIHJHL-GJZGRUSLSA-N 1 1 298.496 3.065 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)C2(C)CCC2)C1 ZINC001567195912 961140470 /nfs/dbraw/zinc/14/04/70/961140470.db2.gz DKVCLYCLYTZSLQ-JKSUJKDBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CCCNC(=O)c1cc(C)co1 ZINC001567261466 961152134 /nfs/dbraw/zinc/15/21/34/961152134.db2.gz KAMNLLKQFKAGQR-OAHLLOKOSA-N 1 1 290.407 3.139 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1cocc1C ZINC001567257632 961153880 /nfs/dbraw/zinc/15/38/80/961153880.db2.gz PTCAPGVSILMKHC-HNNXBMFYSA-N 1 1 290.407 3.139 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)c1cc(C)cc(Cl)c1 ZINC001567292740 961256861 /nfs/dbraw/zinc/25/68/61/961256861.db2.gz CABOHYYYIFOHPS-UHFFFAOYSA-N 1 1 294.826 3.276 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCNC(=O)CC1CCCCCC1 ZINC001567305454 961270987 /nfs/dbraw/zinc/27/09/87/961270987.db2.gz BDXHLOSFSNBNFO-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C=CCC[N@@H+](C)CCNC(=O)C1(CC=C)CCCCC1 ZINC001567320105 961279767 /nfs/dbraw/zinc/27/97/67/961279767.db2.gz HOVATUQMSYAUHA-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)c1sccc1C ZINC001567356611 961287508 /nfs/dbraw/zinc/28/75/08/961287508.db2.gz AWOIMIVXRDOISC-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC[N@H+](CC)C[C@@H](C)CC ZINC001567341491 961293373 /nfs/dbraw/zinc/29/33/73/961293373.db2.gz FNHLLCKOSRMSDZ-AWEZNQCLSA-N 1 1 268.445 3.073 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)c1c(F)cccc1Cl ZINC001567350074 961296452 /nfs/dbraw/zinc/29/64/52/961296452.db2.gz DLYNUNMHMDFLBW-UHFFFAOYSA-N 1 1 298.789 3.107 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CC)CCNC(=O)c1cc(C)[nH]c1C ZINC001567345456 961299114 /nfs/dbraw/zinc/29/91/14/961299114.db2.gz XDASZSLNJUNNFL-CQSZACIVSA-N 1 1 291.439 3.038 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H]1CNC(=O)C1(C)CC1 ZINC001567364166 961305973 /nfs/dbraw/zinc/30/59/73/961305973.db2.gz BYHZZMAJNNCYEF-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H]1CCC[N@H+]1CC1CCCC1 ZINC001567367535 961313336 /nfs/dbraw/zinc/31/33/36/961313336.db2.gz CMUZJNJVBXMMLX-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)CCC(C)(C)C ZINC001567383500 961314707 /nfs/dbraw/zinc/31/47/07/961314707.db2.gz SXEJXYMTSIDQET-CVEARBPZSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001567420990 961327887 /nfs/dbraw/zinc/32/78/87/961327887.db2.gz HYZPZZKWKSWKSZ-AWEZNQCLSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C1CC(C)(C(=O)NCC[N@H+](CCC)CC2CC(C)C2)C1 ZINC001567430115 961332030 /nfs/dbraw/zinc/33/20/30/961332030.db2.gz OCNOJPZVHRCMHD-UHFFFAOYSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[N@@H+](CCNC(=O)C1CCC2(CC2)CC1)C1CC1 ZINC001567444720 961357452 /nfs/dbraw/zinc/35/74/52/961357452.db2.gz SRWWFBFOFSNTTR-UHFFFAOYSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)c1cc(C)[nH]c1C)C(C)C ZINC001567649890 961379696 /nfs/dbraw/zinc/37/96/96/961379696.db2.gz WLHXCDAQKZHLTP-UHFFFAOYSA-N 1 1 291.439 3.038 20 30 CGEDMO C=C(Cl)C[NH2+][C@H](CNC(=O)C=C(C)C)c1ccccc1 ZINC001567655998 961379732 /nfs/dbraw/zinc/37/97/32/961379732.db2.gz HDGZOIDYWJGSIF-OAHLLOKOSA-N 1 1 292.810 3.152 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)C1(C2CCC2)CCC1)C(C)C ZINC001567646927 961385969 /nfs/dbraw/zinc/38/59/69/961385969.db2.gz WDHKWGQBUHMBNX-UHFFFAOYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)CC(C)=C(C)C)C1 ZINC001567686526 961392084 /nfs/dbraw/zinc/39/20/84/961392084.db2.gz NUQPGJCQNGZMIC-INIZCTEOSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](F)CC ZINC001567674115 961400403 /nfs/dbraw/zinc/40/04/03/961400403.db2.gz VGXMLIOSAJYCDL-QXSJWSMHSA-N 1 1 296.430 3.012 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](F)CC ZINC001567674115 961400414 /nfs/dbraw/zinc/40/04/14/961400414.db2.gz VGXMLIOSAJYCDL-QXSJWSMHSA-N 1 1 296.430 3.012 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CC=CCC2)C1 ZINC001567691075 961403000 /nfs/dbraw/zinc/40/30/00/961403000.db2.gz JHHMTJLQXRWGLZ-SJORKVTESA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001567735676 961414817 /nfs/dbraw/zinc/41/48/17/961414817.db2.gz FFUOPGDGVREHEM-JKSUJKDBSA-N 1 1 292.467 3.169 20 30 CGEDMO CC#CC[N@H+](C)CC1CCN(C(=O)CCCCCC)CC1 ZINC001567752515 961429231 /nfs/dbraw/zinc/42/92/31/961429231.db2.gz VXFLJSNUWFPHQQ-UHFFFAOYSA-N 1 1 292.467 3.151 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@](C)(F)CCCC)C1 ZINC001567892243 961450950 /nfs/dbraw/zinc/45/09/50/961450950.db2.gz AVMSQDKSXYQIMC-ZBFHGGJFSA-N 1 1 284.419 3.062 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)C2(F)CCCC2)C1 ZINC001567938444 961459725 /nfs/dbraw/zinc/45/97/25/961459725.db2.gz FHXRHWGALOWMMT-HNNXBMFYSA-N 1 1 296.430 3.158 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)c1cccc(C)c1 ZINC001568472794 961584965 /nfs/dbraw/zinc/58/49/65/961584965.db2.gz BHBPPHSMSBASFW-INIZCTEOSA-N 1 1 288.435 3.354 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCCCC)C1 ZINC001568513227 961605222 /nfs/dbraw/zinc/60/52/22/961605222.db2.gz IPULGKPTWBQSFR-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)C[C@@H](C)NC(=O)c1csc2ccccc21 ZINC001569131102 961702071 /nfs/dbraw/zinc/70/20/71/961702071.db2.gz JHJMVWLQUWWAGI-GFCCVEGCSA-N 1 1 288.416 3.137 20 30 CGEDMO C=CCC1(C(=O)N[C@@H](C)C[N@@H+](C)CCC2CC2)CCCC1 ZINC001569155967 961714767 /nfs/dbraw/zinc/71/47/67/961714767.db2.gz RUVFQJYYAWBYSK-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]1CNC(=O)C1CCCCCC1 ZINC001569351260 961742711 /nfs/dbraw/zinc/74/27/11/961742711.db2.gz ZVXYTBQGVLKKQN-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC(CC)CC ZINC001569448750 961766302 /nfs/dbraw/zinc/76/63/02/961766302.db2.gz GRPQNWAHFPNPAA-CVEARBPZSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)CCC(=O)N1CCCC[C@H]1[C@@H]1CC[N@@H+](CCF)C1 ZINC001569437264 961769702 /nfs/dbraw/zinc/76/97/02/961769702.db2.gz RTTZLMIXIFYDLH-CVEARBPZSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C)CC)C2)C1 ZINC001569464120 961774086 /nfs/dbraw/zinc/77/40/86/961774086.db2.gz HSGIHTDHLVZEOT-SJLPKXTDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@]2(CCN(C(=O)C3CC3)C2)C1 ZINC001569472310 961776064 /nfs/dbraw/zinc/77/60/64/961776064.db2.gz QOPROASNQYAJKF-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@@H](C=C)CC)C2)C1 ZINC001569466565 961783216 /nfs/dbraw/zinc/78/32/16/961783216.db2.gz CHHKIHYIVXCPIQ-WMZOPIPTSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@@]1(C)CCC[N@@H+](CCCF)C1 ZINC001569720021 961833633 /nfs/dbraw/zinc/83/36/33/961833633.db2.gz QABUHYSQBWDBTH-NVXWUHKLSA-N 1 1 298.446 3.167 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)C2(CC)CCC2)C1 ZINC001569721045 961837868 /nfs/dbraw/zinc/83/78/68/961837868.db2.gz YBFCADUAGNWHNV-QGZVFWFLSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C)C(C)(C)C)C2 ZINC001569859077 961856500 /nfs/dbraw/zinc/85/65/00/961856500.db2.gz LTIDTMCTYMBCOE-JONQDZQNSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001570204016 961929310 /nfs/dbraw/zinc/92/93/10/961929310.db2.gz ALRNAPYXRYPTOI-OSYLJGHBSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+](C)CCCN(C)C(=O)[C@H](C)c1ccccc1C ZINC001570218628 961936710 /nfs/dbraw/zinc/93/67/10/961936710.db2.gz YCMNCTDUARENEK-MRXNPFEDSA-N 1 1 288.435 3.065 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CC(C)=C(C)C)C[C@H]1C ZINC001570440695 961967573 /nfs/dbraw/zinc/96/75/73/961967573.db2.gz NVSXOXMPJWZWES-CVEARBPZSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC12CC2 ZINC001570534520 961992510 /nfs/dbraw/zinc/99/25/10/961992510.db2.gz KYHMQKKCNUZRNP-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)C1(CC=C)CCCC1 ZINC001570549461 961995694 /nfs/dbraw/zinc/99/56/94/961995694.db2.gz YFDIBVQKMBPYIJ-INIZCTEOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)C1CCC(C)(C)CC1 ZINC001570547123 961995803 /nfs/dbraw/zinc/99/58/03/961995803.db2.gz AQGTWBPNBMUAAY-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1ccc(F)cc1 ZINC001570694302 962043130 /nfs/dbraw/zinc/04/31/30/962043130.db2.gz ZQSDNDSIBKWBLY-UONOGXRCSA-N 1 1 292.398 3.231 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)c1cc2occc2s1 ZINC001570736360 962074430 /nfs/dbraw/zinc/07/44/30/962074430.db2.gz WCWYHEHZUZMRCV-NSHDSACASA-N 1 1 292.404 3.121 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](CC)CCC ZINC001570827311 962091586 /nfs/dbraw/zinc/09/15/86/962091586.db2.gz OJSZUERMHLARQJ-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC(C)C ZINC001570815479 962094947 /nfs/dbraw/zinc/09/49/47/962094947.db2.gz CZLGXWOBHNDIRS-MRXNPFEDSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)/C=C(\C)CC)C2)C1 ZINC001571035592 962119468 /nfs/dbraw/zinc/11/94/68/962119468.db2.gz JBGTYTCKRHUGGK-LFIBNONCSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCCC)C[C@H]2C1 ZINC001571023633 962120880 /nfs/dbraw/zinc/12/08/80/962120880.db2.gz RJKAHAYIRVTGJX-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)CC(C)=C(C)C)CCC[C@H]12 ZINC001571503818 962171754 /nfs/dbraw/zinc/17/17/54/962171754.db2.gz WIQWHKSZNGWAPU-RDJZCZTQSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)/C=C/C(C)(C)C)CCC[C@H]12 ZINC001571496704 962172057 /nfs/dbraw/zinc/17/20/57/962172057.db2.gz HWJSOFKXSJJXGT-RWLRSDCDSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)c1c(C)coc1C)C(C)C ZINC001571612163 962190105 /nfs/dbraw/zinc/19/01/05/962190105.db2.gz ZRYZCPIRSPDPAN-UHFFFAOYSA-N 1 1 292.423 3.255 20 30 CGEDMO C=C(C)CC[N@H+]1CCOC[C@@H]1C[C@@H]1CNc2ccccc21 ZINC001574834437 962325226 /nfs/dbraw/zinc/32/52/26/962325226.db2.gz CBDVVQWMUQYBAV-CVEARBPZSA-N 1 1 286.419 3.253 20 30 CGEDMO C=CCCCCCN(C)C(=O)[C@@H]1CC[N@H+]1C1CCCC1 ZINC001586583465 963118398 /nfs/dbraw/zinc/11/83/98/963118398.db2.gz MKYKXYDBRWXTGO-INIZCTEOSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CC[N@@H+](CCC1CCC1)Cc1cccc(-c2nn[nH]n2)c1 ZINC001588632029 963293643 /nfs/dbraw/zinc/29/36/43/963293643.db2.gz HVSXXMDFTACFLH-UHFFFAOYSA-N 1 1 297.406 3.045 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@@H](n3cccn3)C2)cc1 ZINC000589747770 346810478 /nfs/dbraw/zinc/81/04/78/346810478.db2.gz GZJKIWAJOAOZHJ-QGZVFWFLSA-N 1 1 294.402 3.131 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000589823061 346813862 /nfs/dbraw/zinc/81/38/62/346813862.db2.gz XZAODFUPTSSFOW-FMKPAKJESA-N 1 1 257.381 3.404 20 30 CGEDMO C[C@H](c1ccncc1)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000127634410 187322001 /nfs/dbraw/zinc/32/20/01/187322001.db2.gz KIDCLIAUDQRWGT-CQSZACIVSA-N 1 1 281.359 3.025 20 30 CGEDMO CC[C@@H]1CC[C@@H](C)[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000124619973 187145663 /nfs/dbraw/zinc/14/56/63/187145663.db2.gz KOITWAPUSLNDIU-UKRRQHHQSA-N 1 1 285.391 3.150 20 30 CGEDMO C[C@@H](C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)C(C)(C)C ZINC000590051980 346824449 /nfs/dbraw/zinc/82/44/49/346824449.db2.gz MYIMRDGUXGVFJS-DZGCQCFKSA-N 1 1 287.407 3.089 20 30 CGEDMO C=CC[C@@H]1CC[C@@H]([NH2+]C2CCN(C3CCC3)CC2)C1 ZINC000651688629 398269554 /nfs/dbraw/zinc/26/95/54/398269554.db2.gz RKYRTJPQNFCQEX-GDBMZVCRSA-N 1 1 262.441 3.338 20 30 CGEDMO C[C@@H]1CN(c2ccccc2F)CC[N@H+]1[C@H]1CC[C@@H](C#N)C1 ZINC000590176911 346834902 /nfs/dbraw/zinc/83/49/02/346834902.db2.gz KPWDNPSGCJNEMZ-KFWWJZLASA-N 1 1 287.382 3.028 20 30 CGEDMO C=CC[C@@H]1CC[C@H]([NH2+]C2CCN(CC3CC3)CC2)C1 ZINC000651682216 398268530 /nfs/dbraw/zinc/26/85/30/398268530.db2.gz QHMNHAHRCJQLML-PBHICJAKSA-N 1 1 262.441 3.195 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@H](c3ccccn3)C2)ccc1F ZINC000590602828 346854082 /nfs/dbraw/zinc/85/40/82/346854082.db2.gz YNPBQLVYUQCSNQ-HNNXBMFYSA-N 1 1 295.361 3.472 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@@H](CCC(=O)OCC)C1 ZINC000590708832 346866192 /nfs/dbraw/zinc/86/61/92/346866192.db2.gz ZCUTZYKHTQYPIG-HNNXBMFYSA-N 1 1 267.413 3.398 20 30 CGEDMO C=CC[C@@H]1CCCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000622144525 349637357 /nfs/dbraw/zinc/63/73/57/349637357.db2.gz LICMEVOECQXXBY-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO COc1cccc2c1C[N@@H+](Cc1ccc(C#N)cc1C)CC2 ZINC000590760011 346872706 /nfs/dbraw/zinc/87/27/06/346872706.db2.gz GKIVMBBHUUMSNE-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCOCC12CCCCC2 ZINC000590761873 346872811 /nfs/dbraw/zinc/87/28/11/346872811.db2.gz UBHGGCKWZCQHKQ-UHFFFAOYSA-N 1 1 284.403 3.402 20 30 CGEDMO C[C@@]1(C#N)CCC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000591026521 346896061 /nfs/dbraw/zinc/89/60/61/346896061.db2.gz JDCUWHVKTJUJLQ-HNNXBMFYSA-N 1 1 259.397 3.476 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000591026521 346896064 /nfs/dbraw/zinc/89/60/64/346896064.db2.gz JDCUWHVKTJUJLQ-HNNXBMFYSA-N 1 1 259.397 3.476 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+]([C@@H](C)[C@H](C)CC)C1CC1 ZINC000591474402 346926048 /nfs/dbraw/zinc/92/60/48/346926048.db2.gz CEZZVAZSUOTIGK-CABCVRRESA-N 1 1 280.456 3.310 20 30 CGEDMO C=C(C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623381306 349795088 /nfs/dbraw/zinc/79/50/88/349795088.db2.gz NAGWDVWPVUBTDK-INIZCTEOSA-N 1 1 258.409 3.162 20 30 CGEDMO C=C(CN[C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623381306 349795089 /nfs/dbraw/zinc/79/50/89/349795089.db2.gz NAGWDVWPVUBTDK-INIZCTEOSA-N 1 1 258.409 3.162 20 30 CGEDMO C=C(CN[C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623381306 349795092 /nfs/dbraw/zinc/79/50/92/349795092.db2.gz NAGWDVWPVUBTDK-INIZCTEOSA-N 1 1 258.409 3.162 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@H]2NCC1([NH3+])CCCCC1 ZINC000591575869 346929099 /nfs/dbraw/zinc/92/90/99/346929099.db2.gz DFHRMZGMYNEWTA-QGZVFWFLSA-N 1 1 283.419 3.187 20 30 CGEDMO C[C@@H]1C[C@H](C)CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000127927000 187341374 /nfs/dbraw/zinc/34/13/74/187341374.db2.gz CZGUKANOTNINPL-HUUCEWRRSA-N 1 1 299.418 3.255 20 30 CGEDMO Cc1ccccc1C[C@@H]1CCC[N@H+]1Cc1ccncc1C#N ZINC000592070001 346959331 /nfs/dbraw/zinc/95/93/31/346959331.db2.gz DUUDBLSNCRCCCM-IBGZPJMESA-N 1 1 291.398 3.469 20 30 CGEDMO COc1cncc(/C=C\CC[N@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000592101804 346963424 /nfs/dbraw/zinc/96/34/24/346963424.db2.gz SLCOQFRZPHDHFC-SVEBXFOSSA-N 1 1 285.391 3.119 20 30 CGEDMO Cc1cccc(C2([NH2+]Cc3nc(C#N)cs3)CCC2)c1 ZINC000592146034 346966997 /nfs/dbraw/zinc/96/69/97/346966997.db2.gz KQTMOEAKNUBERU-UHFFFAOYSA-N 1 1 283.400 3.492 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000592134850 346965982 /nfs/dbraw/zinc/96/59/82/346965982.db2.gz NNGWMYANCGSOEK-ZWKOTPCHSA-N 1 1 284.403 3.258 20 30 CGEDMO CN1C[C@@H](C[NH2+][C@H]2CCC[C@H](C#N)C2)[C@H](c2ccccc2)C1 ZINC000592404322 346985143 /nfs/dbraw/zinc/98/51/43/346985143.db2.gz XMFXXROJZBEGEP-NQYYFHDYSA-N 1 1 297.446 3.004 20 30 CGEDMO CN(CC[C@@H]1CCCC[N@H+]1C)Cc1cccc(F)c1C#N ZINC000428224724 529930070 /nfs/dbraw/zinc/93/00/70/529930070.db2.gz RCSTXRFJTMZLBN-HNNXBMFYSA-N 1 1 289.398 3.004 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000593010440 347027074 /nfs/dbraw/zinc/02/70/74/347027074.db2.gz CQCLAYGKPDVYOH-AWEZNQCLSA-N 1 1 297.314 3.049 20 30 CGEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCC34CCCC4)o2)cc1 ZINC000593039435 347031073 /nfs/dbraw/zinc/03/10/73/347031073.db2.gz PRSBALBQZGDYLB-UHFFFAOYSA-N 1 1 294.358 3.127 20 30 CGEDMO C[C@@H](CCO)[N@@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000593107491 347039917 /nfs/dbraw/zinc/03/99/17/347039917.db2.gz KMNLDCDNOYINGE-HNNXBMFYSA-N 1 1 294.398 3.428 20 30 CGEDMO C[C@H]1C[N@H+](C[C@@H](C#N)CCC#N)CCc2ccc(F)cc21 ZINC000593117515 347042266 /nfs/dbraw/zinc/04/22/66/347042266.db2.gz YFOGCGMHIYVNFP-UONOGXRCSA-N 1 1 285.366 3.231 20 30 CGEDMO C[C@H]1C[N@@H+](C[C@@H](C#N)CCC#N)CCc2ccc(F)cc21 ZINC000593117515 347042267 /nfs/dbraw/zinc/04/22/67/347042267.db2.gz YFOGCGMHIYVNFP-UONOGXRCSA-N 1 1 285.366 3.231 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1Cl)C[C@@H]1CCCC[C@@H]1O ZINC000439426976 529984169 /nfs/dbraw/zinc/98/41/69/529984169.db2.gz WNJFYGMBISYAPE-HOCLYGCPSA-N 1 1 292.810 3.195 20 30 CGEDMO C[C@H](c1ccccc1)[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000020814025 344891937 /nfs/dbraw/zinc/89/19/37/344891937.db2.gz PVCBLLPBFLEKCM-GFCCVEGCSA-N 1 1 299.399 3.251 20 30 CGEDMO C[C@H](c1ccccc1)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000020814025 344891941 /nfs/dbraw/zinc/89/19/41/344891941.db2.gz PVCBLLPBFLEKCM-GFCCVEGCSA-N 1 1 299.399 3.251 20 30 CGEDMO N#Cc1c(F)cccc1NCC[N@H+]1CCc2ccccc2C1 ZINC000045026608 345018848 /nfs/dbraw/zinc/01/88/48/345018848.db2.gz GLIFHXULIGGKOE-UHFFFAOYSA-N 1 1 295.361 3.168 20 30 CGEDMO C=CC[NH+](CC=C)CC(=O)N[C@@H](c1ccccc1)C(C)C ZINC000045914436 345031865 /nfs/dbraw/zinc/03/18/65/345031865.db2.gz BIHBDJKQNNAWLA-GOSISDBHSA-N 1 1 286.419 3.174 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000046088719 345034677 /nfs/dbraw/zinc/03/46/77/345034677.db2.gz RSZWPQKRRZCHAD-HNNXBMFYSA-N 1 1 290.432 3.086 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000053422328 345119888 /nfs/dbraw/zinc/11/98/88/345119888.db2.gz JVBHXSSJLXCDBD-AWEZNQCLSA-N 1 1 290.382 3.019 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000053422328 345119891 /nfs/dbraw/zinc/11/98/91/345119891.db2.gz JVBHXSSJLXCDBD-AWEZNQCLSA-N 1 1 290.382 3.019 20 30 CGEDMO CCC[N@H+](CC(=O)N(CCC#N)c1ccccc1)CC1CC1 ZINC000052890720 345109516 /nfs/dbraw/zinc/10/95/16/345109516.db2.gz KUJOKQWAQWCCDG-UHFFFAOYSA-N 1 1 299.418 3.055 20 30 CGEDMO CC[N@@H+](CCOc1cccc(C#N)c1)[C@H](C)C(C)C ZINC000065299120 345271371 /nfs/dbraw/zinc/27/13/71/345271371.db2.gz BAVYSWRJJDYSEW-CQSZACIVSA-N 1 1 260.381 3.303 20 30 CGEDMO CC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)[C@H](C)C(C)C ZINC000065299607 345271423 /nfs/dbraw/zinc/27/14/23/345271423.db2.gz JCMGHYDPASLPSH-OAHLLOKOSA-N 1 1 293.455 3.038 20 30 CGEDMO C=CC[N@H+](CCC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000065607630 345275558 /nfs/dbraw/zinc/27/55/58/345275558.db2.gz QGUFZRJMUDSPJS-UHFFFAOYSA-N 1 1 275.392 3.406 20 30 CGEDMO CC[N@@H+](Cc1ccc(OC(F)F)cc1)C[C@H](C)C#N ZINC000066424562 345293696 /nfs/dbraw/zinc/29/36/96/345293696.db2.gz PSJRKHMFPDVNHO-LLVKDONJSA-N 1 1 268.307 3.270 20 30 CGEDMO CC[N@H+](Cc1ccc(OC(F)F)cc1)C[C@H](C)C#N ZINC000066424562 345293699 /nfs/dbraw/zinc/29/36/99/345293699.db2.gz PSJRKHMFPDVNHO-LLVKDONJSA-N 1 1 268.307 3.270 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000066560077 345300186 /nfs/dbraw/zinc/30/01/86/345300186.db2.gz UGLBXRFIWLDEQV-OAHLLOKOSA-N 1 1 274.408 3.104 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)s1 ZINC000127409344 187303068 /nfs/dbraw/zinc/30/30/68/187303068.db2.gz VJECNCJQBPPCIV-AWEZNQCLSA-N 1 1 257.362 3.285 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)s1 ZINC000127409344 187303069 /nfs/dbraw/zinc/30/30/69/187303069.db2.gz VJECNCJQBPPCIV-AWEZNQCLSA-N 1 1 257.362 3.285 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCOCC1CC1 ZINC000076153723 345535820 /nfs/dbraw/zinc/53/58/20/345535820.db2.gz GFMDSZZTNOQLAK-MSOLQXFVSA-N 1 1 284.403 3.185 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCOCC1CC1 ZINC000076153723 345535822 /nfs/dbraw/zinc/53/58/22/345535822.db2.gz GFMDSZZTNOQLAK-MSOLQXFVSA-N 1 1 284.403 3.185 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCOCC1CC1 ZINC000076153730 345535940 /nfs/dbraw/zinc/53/59/40/345535940.db2.gz GFMDSZZTNOQLAK-ZWKOTPCHSA-N 1 1 284.403 3.185 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCOCC1CC1 ZINC000076153730 345535942 /nfs/dbraw/zinc/53/59/42/345535942.db2.gz GFMDSZZTNOQLAK-ZWKOTPCHSA-N 1 1 284.403 3.185 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)C[C@@H]1CCCCO1 ZINC000078395446 345606609 /nfs/dbraw/zinc/60/66/09/345606609.db2.gz XAASCMACWBHUSC-ZDUSSCGKSA-N 1 1 251.395 3.305 20 30 CGEDMO N#CCC1(C[NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000088259238 345758462 /nfs/dbraw/zinc/75/84/62/345758462.db2.gz GHUWRFWHBXKYDH-UHFFFAOYSA-N 1 1 289.810 3.156 20 30 CGEDMO CC(C)n1cc([C@H](C)[NH2+]Cc2cc(C#N)ccc2F)cn1 ZINC000090117935 345784138 /nfs/dbraw/zinc/78/41/38/345784138.db2.gz ZKHCPQJNTWZBSB-LBPRGKRZSA-N 1 1 286.354 3.326 20 30 CGEDMO C=CC[C@@H](CC)NC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000623990405 349938399 /nfs/dbraw/zinc/93/83/99/349938399.db2.gz BRDIOSCJRWNTRF-ZBFHGGJFSA-N 1 1 293.455 3.047 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[N@@H+](C)CC(C)C)c1C#N ZINC000091067559 345802032 /nfs/dbraw/zinc/80/20/32/345802032.db2.gz DGLKLQFRZGNOIE-UHFFFAOYSA-N 1 1 282.391 3.140 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[N@H+](C)CC(C)C)c1C#N ZINC000091067559 345802035 /nfs/dbraw/zinc/80/20/35/345802035.db2.gz DGLKLQFRZGNOIE-UHFFFAOYSA-N 1 1 282.391 3.140 20 30 CGEDMO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000092063914 345829041 /nfs/dbraw/zinc/82/90/41/345829041.db2.gz BCOFGQFGZKVYHJ-PXAZEXFGSA-N 1 1 298.411 3.444 20 30 CGEDMO CCOC(=O)CC[C@@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000092094134 345829960 /nfs/dbraw/zinc/82/99/60/345829960.db2.gz GVQAVDSVXCVPPE-HNNXBMFYSA-N 1 1 294.439 3.372 20 30 CGEDMO COc1cc(F)cc(C[NH2+]Cc2ccc(C#N)cc2F)c1 ZINC000093970468 345893707 /nfs/dbraw/zinc/89/37/07/345893707.db2.gz ZWGQGQUFKOPCLF-UHFFFAOYSA-N 1 1 288.297 3.135 20 30 CGEDMO N#Cc1ccc(C[N@H+](CCCO)[C@H]2CCc3ccccc32)o1 ZINC000093389035 345877495 /nfs/dbraw/zinc/87/74/95/345877495.db2.gz BATBPQIETQKEGU-SFHVURJKSA-N 1 1 296.370 3.023 20 30 CGEDMO CC[N@@H+](CCOc1ccccc1C#N)Cc1ccoc1 ZINC000102407090 345916160 /nfs/dbraw/zinc/91/61/60/345916160.db2.gz VIWWTBMYOGZRGA-UHFFFAOYSA-N 1 1 270.332 3.052 20 30 CGEDMO CCC(CC)C[N@H+](CCC#N)Cc1ccc(N(C)C)nc1 ZINC000119180789 345992259 /nfs/dbraw/zinc/99/22/59/345992259.db2.gz RPTDXTGVRFFWOU-UHFFFAOYSA-N 1 1 288.439 3.299 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(N(C)C)nc1 ZINC000119180789 345992266 /nfs/dbraw/zinc/99/22/66/345992266.db2.gz RPTDXTGVRFFWOU-UHFFFAOYSA-N 1 1 288.439 3.299 20 30 CGEDMO CCC[N@H+](CCN(CC)CC)Cc1ccc(C#N)cc1 ZINC000131120507 346063204 /nfs/dbraw/zinc/06/32/04/346063204.db2.gz XLBSVFOIOMMDRM-UHFFFAOYSA-N 1 1 273.424 3.112 20 30 CGEDMO CCC[N@@H+](CCN(CC)CC)Cc1ccc(C#N)cc1 ZINC000131120507 346063207 /nfs/dbraw/zinc/06/32/07/346063207.db2.gz XLBSVFOIOMMDRM-UHFFFAOYSA-N 1 1 273.424 3.112 20 30 CGEDMO C[C@@H](C1CC1)[N@@H+](Cc1cc(F)ccc1C#N)C1CC1 ZINC000177264279 232360101 /nfs/dbraw/zinc/36/01/01/232360101.db2.gz ADVAJBLTCYQNMQ-NSHDSACASA-N 1 1 258.340 3.460 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCSCC#N)[C@@H]1c1ccccc1 ZINC000177830583 346251513 /nfs/dbraw/zinc/25/15/13/346251513.db2.gz WRANDOFDFYNNKI-HIFRSBDPSA-N 1 1 260.406 3.326 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CC[C@H](C)[C@@H](OC)C2)c1 ZINC000188303597 346262086 /nfs/dbraw/zinc/26/20/86/346262086.db2.gz WSTDKMSAXFVFSM-YOEHRIQHSA-N 1 1 275.392 3.108 20 30 CGEDMO C[C@@H](C[N@@H+](C)C[C@@H](C#N)CCC#N)c1ccccc1 ZINC000264875213 346405896 /nfs/dbraw/zinc/40/58/96/346405896.db2.gz PUSMBJHGFQZBPG-LSDHHAIUSA-N 1 1 255.365 3.165 20 30 CGEDMO C[N@@H+](CCCCC(C)(C)C#N)C[C@@H](O)Cc1ccccc1 ZINC000293365343 346431046 /nfs/dbraw/zinc/43/10/46/346431046.db2.gz OPEOBCCDAWLGCQ-KRWDZBQOSA-N 1 1 288.435 3.242 20 30 CGEDMO C[N@@H+](CCCOc1ccccc1)[C@@H]1CC[C@H](C#N)C1 ZINC000278643056 346416012 /nfs/dbraw/zinc/41/60/12/346416012.db2.gz PGDLCQUFTBZHGH-LSDHHAIUSA-N 1 1 258.365 3.080 20 30 CGEDMO N#CC1(C[NH2+]Cc2cnc(C3CC3)s2)CCCC1 ZINC000593652583 347099231 /nfs/dbraw/zinc/09/92/31/347099231.db2.gz CNBNPPCEIRLCRH-UHFFFAOYSA-N 1 1 261.394 3.194 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1CC1(CC#N)CC1 ZINC000383067675 346562087 /nfs/dbraw/zinc/56/20/87/346562087.db2.gz HNVABTOXKJHBQY-KRWDZBQOSA-N 1 1 297.446 3.277 20 30 CGEDMO C[C@H]1CN(Cc2ccccc2)CCC[N@@H+]1CC1(CC#N)CC1 ZINC000383067675 346562091 /nfs/dbraw/zinc/56/20/91/346562091.db2.gz HNVABTOXKJHBQY-KRWDZBQOSA-N 1 1 297.446 3.277 20 30 CGEDMO C[C@H]1CN(Cc2ccccc2)CCC[N@H+]1CC1(CC#N)CC1 ZINC000383067675 346562093 /nfs/dbraw/zinc/56/20/93/346562093.db2.gz HNVABTOXKJHBQY-KRWDZBQOSA-N 1 1 297.446 3.277 20 30 CGEDMO Cc1c(C[N@H+]2CCC[C@@H](CC#N)C2)cccc1[N+](=O)[O-] ZINC000397681751 346584232 /nfs/dbraw/zinc/58/42/32/346584232.db2.gz MCFLIWADILFBRX-ZDUSSCGKSA-N 1 1 273.336 3.029 20 30 CGEDMO COC[C@H](C)C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000525874641 346641673 /nfs/dbraw/zinc/64/16/73/346641673.db2.gz OKWNBIRNKLPXDJ-OIISXLGYSA-N 1 1 272.392 3.041 20 30 CGEDMO CC(C)C[N@@H+](C)CCCN[C@@H](C)c1ccc(C#N)cc1F ZINC000593715452 347106789 /nfs/dbraw/zinc/10/67/89/347106789.db2.gz LYYPHRUZJROTHL-AWEZNQCLSA-N 1 1 291.414 3.326 20 30 CGEDMO COCC[N@@H+](CCC#N)CCCC1CCCCC1 ZINC000589162779 346785712 /nfs/dbraw/zinc/78/57/12/346785712.db2.gz NPKMDCPUPUQNKI-UHFFFAOYSA-N 1 1 252.402 3.209 20 30 CGEDMO COCC[N@H+](CCC#N)CCCC1CCCCC1 ZINC000589162779 346785713 /nfs/dbraw/zinc/78/57/13/346785713.db2.gz NPKMDCPUPUQNKI-UHFFFAOYSA-N 1 1 252.402 3.209 20 30 CGEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1ccsc1 ZINC000589210554 346790800 /nfs/dbraw/zinc/79/08/00/346790800.db2.gz PSPJHDKAAFAIQB-UHFFFAOYSA-N 1 1 286.400 3.268 20 30 CGEDMO CC(C)[N@@H+](C)C[C@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000589344079 346794259 /nfs/dbraw/zinc/79/42/59/346794259.db2.gz UKGNZBNMMPEPAU-KBXCAEBGSA-N 1 1 285.435 3.254 20 30 CGEDMO CC(C)[N@H+](C)C[C@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000589344079 346794260 /nfs/dbraw/zinc/79/42/60/346794260.db2.gz UKGNZBNMMPEPAU-KBXCAEBGSA-N 1 1 285.435 3.254 20 30 CGEDMO N#CCCCC[C@H]([NH3+])c1nc(-c2ccc(F)c(F)c2)no1 ZINC000593941776 347120789 /nfs/dbraw/zinc/12/07/89/347120789.db2.gz BKMXICKZMQOUAV-LBPRGKRZSA-N 1 1 292.289 3.099 20 30 CGEDMO N#CCCCC[C@H]([NH3+])c1nc(-c2ccc(Cl)cc2)no1 ZINC000593941917 347121047 /nfs/dbraw/zinc/12/10/47/347121047.db2.gz CHWFFJHWHOPCMK-LBPRGKRZSA-N 1 1 290.754 3.474 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@H+](C[C@@H]1CCOc3ccccc31)C2 ZINC000594613602 347204038 /nfs/dbraw/zinc/20/40/38/347204038.db2.gz PTGZQFHSKCJFDC-INIZCTEOSA-N 1 1 290.366 3.440 20 30 CGEDMO N#Cc1ccc(C[N@@H+](CC2CC=CC2)C2CC2)cc1 ZINC000595297861 347289369 /nfs/dbraw/zinc/28/93/69/347289369.db2.gz ZWYHGRPSHKMMDL-UHFFFAOYSA-N 1 1 252.361 3.489 20 30 CGEDMO CN(CC[C@@H]1CCCC[N@H+]1C)[C@@H](C#N)c1ccccc1 ZINC000595327738 347291826 /nfs/dbraw/zinc/29/18/26/347291826.db2.gz RKEWBRHGTOGLTI-IRXDYDNUSA-N 1 1 271.408 3.057 20 30 CGEDMO CO[C@@H](C[N@H+](C[C@H](C)C#N)C1CC1)C1CCCCC1 ZINC000595387244 347297693 /nfs/dbraw/zinc/29/76/93/347297693.db2.gz CQDPTBJPTIKHLU-CJNGLKHVSA-N 1 1 264.413 3.206 20 30 CGEDMO CO[C@@H](C[N@@H+](C[C@H](C)C#N)C1CC1)C1CCCCC1 ZINC000595387244 347297696 /nfs/dbraw/zinc/29/76/96/347297696.db2.gz CQDPTBJPTIKHLU-CJNGLKHVSA-N 1 1 264.413 3.206 20 30 CGEDMO C[C@H]([NH2+][C@H]1CCCn2nccc21)c1ccc(C#N)cc1F ZINC000595031075 347263399 /nfs/dbraw/zinc/26/33/99/347263399.db2.gz DRAKLPOOBXSVMY-NHYWBVRUSA-N 1 1 284.338 3.080 20 30 CGEDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595609753 347326237 /nfs/dbraw/zinc/32/62/37/347326237.db2.gz ORGOEDXVXOAEOC-STQMWFEESA-N 1 1 273.336 3.281 20 30 CGEDMO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595610746 347326800 /nfs/dbraw/zinc/32/68/00/347326800.db2.gz BGHICJDJRWNUAQ-CVEARBPZSA-N 1 1 299.418 3.256 20 30 CGEDMO Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595610746 347326804 /nfs/dbraw/zinc/32/68/04/347326804.db2.gz BGHICJDJRWNUAQ-CVEARBPZSA-N 1 1 299.418 3.256 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](CC2CCC(F)(F)CC2)C1 ZINC000595623276 347329179 /nfs/dbraw/zinc/32/91/79/347329179.db2.gz LOZQTRNKXJXZFU-LBPRGKRZSA-N 1 1 256.340 3.438 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595625759 347330505 /nfs/dbraw/zinc/33/05/05/347330505.db2.gz NOIXMMVCDMVCKT-MRXNPFEDSA-N 1 1 264.413 3.207 20 30 CGEDMO C[C@@H](CO)[C@@H]1CCCC[N@H+]1CCCCC(C)(C)C#N ZINC000595672004 347336452 /nfs/dbraw/zinc/33/64/52/347336452.db2.gz HEHDKKPTUHANOH-GJZGRUSLSA-N 1 1 266.429 3.189 20 30 CGEDMO COC(=O)[C@@]1([NH2+]CCCCC(C)(C)C#N)CC[C@@H](C)CC1 ZINC000595707498 347343513 /nfs/dbraw/zinc/34/35/13/347343513.db2.gz PXFHHNHKHHOMLB-CZIWCDLHSA-N 1 1 294.439 3.418 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)cc1 ZINC000595786818 347356072 /nfs/dbraw/zinc/35/60/72/347356072.db2.gz HSVPTKWJGRPUGI-QZTJIDSGSA-N 1 1 284.403 3.339 20 30 CGEDMO C[C@H](N[C@@H](C#N)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000595430399 347303146 /nfs/dbraw/zinc/30/31/46/347303146.db2.gz KAWXGGDGOOBEIM-IEZWGBDMSA-N 1 1 297.446 3.494 20 30 CGEDMO CO[C@H](C[N@@H+](C)CC(C)(C)C#N)C1CCCCC1 ZINC000595502310 347312249 /nfs/dbraw/zinc/31/22/49/347312249.db2.gz RYTGKUFRTKSDPO-CQSZACIVSA-N 1 1 252.402 3.063 20 30 CGEDMO CC[N@H+]1CCCN(Cc2ccccc2C(C)(C)C#N)[C@H](C)C1 ZINC000595534592 347315880 /nfs/dbraw/zinc/31/58/80/347315880.db2.gz CYQHWIMQVDVKRE-MRXNPFEDSA-N 1 1 299.462 3.404 20 30 CGEDMO CCN1CCC[N@H+](Cc2ccccc2C(C)(C)C#N)[C@H](C)C1 ZINC000595534592 347315884 /nfs/dbraw/zinc/31/58/84/347315884.db2.gz CYQHWIMQVDVKRE-MRXNPFEDSA-N 1 1 299.462 3.404 20 30 CGEDMO CCN1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@H](C)C1 ZINC000595534592 347315886 /nfs/dbraw/zinc/31/58/86/347315886.db2.gz CYQHWIMQVDVKRE-MRXNPFEDSA-N 1 1 299.462 3.404 20 30 CGEDMO CC[N@H+]1CCCN(CCC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000595536931 347316633 /nfs/dbraw/zinc/31/66/33/347316633.db2.gz XWEZCVYBPWWBQH-INIZCTEOSA-N 1 1 277.456 3.267 20 30 CGEDMO CCN1CCC[N@H+](CCC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000595536931 347316637 /nfs/dbraw/zinc/31/66/37/347316637.db2.gz XWEZCVYBPWWBQH-INIZCTEOSA-N 1 1 277.456 3.267 20 30 CGEDMO CCN1CCC[N@@H+](CCC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000595536931 347316640 /nfs/dbraw/zinc/31/66/40/347316640.db2.gz XWEZCVYBPWWBQH-INIZCTEOSA-N 1 1 277.456 3.267 20 30 CGEDMO CCCC[N@@H+](C)C[C@H](C)Nc1nc2ncccc2cc1C#N ZINC000596235879 347401753 /nfs/dbraw/zinc/40/17/53/347401753.db2.gz AXNKVILCBZEYCU-ZDUSSCGKSA-N 1 1 297.406 3.034 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)cc1 ZINC000595831429 347362535 /nfs/dbraw/zinc/36/25/35/347362535.db2.gz NOKPGYJQKBQPIF-LJQANCHMSA-N 1 1 292.382 3.406 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](CCCOc2cccc(Cl)c2)C1 ZINC000595838677 347364646 /nfs/dbraw/zinc/36/46/46/347364646.db2.gz CTVGKZGPBIWKCQ-OAHLLOKOSA-N 1 1 278.783 3.344 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](CCCOc2cccc(Cl)c2)C1 ZINC000595838677 347364651 /nfs/dbraw/zinc/36/46/51/347364651.db2.gz CTVGKZGPBIWKCQ-OAHLLOKOSA-N 1 1 278.783 3.344 20 30 CGEDMO CC(C)(C#N)CCCC[N@@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000595885385 347370351 /nfs/dbraw/zinc/37/03/51/347370351.db2.gz HDFXVUISPXKXEW-LBPRGKRZSA-N 1 1 292.345 3.360 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000595885385 347370355 /nfs/dbraw/zinc/37/03/55/347370355.db2.gz HDFXVUISPXKXEW-LBPRGKRZSA-N 1 1 292.345 3.360 20 30 CGEDMO Cc1ccc(C#N)nc1NCCCC[N@@H+]1CCCC[C@H]1C ZINC000596077341 347380303 /nfs/dbraw/zinc/38/03/03/347380303.db2.gz UKEULXGSGRDKEA-OAHLLOKOSA-N 1 1 286.423 3.328 20 30 CGEDMO Cc1nsc(NC[C@H]2CC[N@@H+]2Cc2ccccc2)c1C#N ZINC000596556414 347479551 /nfs/dbraw/zinc/47/95/51/347479551.db2.gz BTVNFJNVBNKHGY-CQSZACIVSA-N 1 1 298.415 3.010 20 30 CGEDMO Cc1nsc(NC[C@H]2CC[N@H+]2Cc2ccccc2)c1C#N ZINC000596556414 347479555 /nfs/dbraw/zinc/47/95/55/347479555.db2.gz BTVNFJNVBNKHGY-CQSZACIVSA-N 1 1 298.415 3.010 20 30 CGEDMO N#Cc1cc(F)ccc1NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596570424 347480829 /nfs/dbraw/zinc/48/08/29/347480829.db2.gz KRDSHWRVUOSDLE-CQSZACIVSA-N 1 1 287.382 3.231 20 30 CGEDMO CCOc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cc1OC ZINC000597175077 347544295 /nfs/dbraw/zinc/54/42/95/347544295.db2.gz VPSYBZWGKPVBKU-CQSZACIVSA-N 1 1 288.391 3.220 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC000597175107 347544314 /nfs/dbraw/zinc/54/43/14/347544314.db2.gz WQLXCAWCIIZVFZ-ZDUSSCGKSA-N 1 1 253.349 3.294 20 30 CGEDMO CC1(C)[C@@H]2C[N@H+](Cc3ccc(C4(C#N)CC4)cc3)C[C@@H]21 ZINC000597015103 347527875 /nfs/dbraw/zinc/52/78/75/347527875.db2.gz VEVQWPDZPRNSIE-IYBDPMFKSA-N 1 1 266.388 3.330 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)[C@@H]1C ZINC000597026473 347528280 /nfs/dbraw/zinc/52/82/80/347528280.db2.gz INRHHFSHMILWGM-ZIAGYGMSSA-N 1 1 254.377 3.472 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@@H]3[C@H]3CCCO3)cc2)CC1 ZINC000597121523 347537361 /nfs/dbraw/zinc/53/73/61/347537361.db2.gz OZLILXUESDSGKZ-QZTJIDSGSA-N 1 1 296.414 3.385 20 30 CGEDMO CCCC[N@@H+](CCCO)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597132733 347538325 /nfs/dbraw/zinc/53/83/25/347538325.db2.gz KZIRTQAXXYBKEM-UHFFFAOYSA-N 1 1 286.419 3.226 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CCCO1 ZINC000597136407 347538825 /nfs/dbraw/zinc/53/88/25/347538825.db2.gz WDMKSBRWVXLZKB-SFHVURJKSA-N 1 1 298.430 3.489 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@H]1CCOC1 ZINC000597133688 347539294 /nfs/dbraw/zinc/53/92/94/347539294.db2.gz XROWLVYTHKXHRX-KRWDZBQOSA-N 1 1 284.403 3.241 20 30 CGEDMO COC[C@@H]1CCCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597147379 347540736 /nfs/dbraw/zinc/54/07/36/347540736.db2.gz JXGUYXKYRKASPF-KRWDZBQOSA-N 1 1 284.403 3.243 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@]4(CCOC4)C3)cc2)CC1 ZINC000597146952 347540822 /nfs/dbraw/zinc/54/08/22/347540822.db2.gz JBXVKWQXELQYKW-SFHVURJKSA-N 1 1 296.414 3.244 20 30 CGEDMO CC(C)COc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000597230843 347559250 /nfs/dbraw/zinc/55/92/50/347559250.db2.gz UFNMRBACOGCFAJ-KRWDZBQOSA-N 1 1 272.392 3.457 20 30 CGEDMO CC(C)COc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000597230843 347559254 /nfs/dbraw/zinc/55/92/54/347559254.db2.gz UFNMRBACOGCFAJ-KRWDZBQOSA-N 1 1 272.392 3.457 20 30 CGEDMO C[C@@H]1C[N@@H+](CC(C)(C)CCC#N)C[C@](C)(C(F)F)O1 ZINC000597253911 347563197 /nfs/dbraw/zinc/56/31/97/347563197.db2.gz APTOLYLXCWJEQW-BXUZGUMPSA-N 1 1 274.355 3.061 20 30 CGEDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)CC1(C#N)CCCCC1 ZINC000597662763 347586786 /nfs/dbraw/zinc/58/67/86/347586786.db2.gz WEZMMLCCUBFPTP-HNNXBMFYSA-N 1 1 293.455 3.087 20 30 CGEDMO Cc1cc2cc(C[NH+]3CC(CC#N)C3)oc2cc1C ZINC000597193131 347547962 /nfs/dbraw/zinc/54/79/62/347547962.db2.gz DERXJPNOUXCTLP-UHFFFAOYSA-N 1 1 254.333 3.395 20 30 CGEDMO COc1nc(C)cc(C)c1C[N@@H+](C)CC(C)(C)CCC#N ZINC000598678204 347678144 /nfs/dbraw/zinc/67/81/44/347678144.db2.gz OLLMIIRTIASITQ-UHFFFAOYSA-N 1 1 289.423 3.469 20 30 CGEDMO N#Cc1csc(C[NH+]2CC(Cc3ccsc3)C2)c1 ZINC000598679166 347678485 /nfs/dbraw/zinc/67/84/85/347678485.db2.gz YVTUMVLINVLGRT-UHFFFAOYSA-N 1 1 274.414 3.356 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@H]1c1cccs1 ZINC000598584648 347666161 /nfs/dbraw/zinc/66/61/61/347666161.db2.gz QUFHKJJMQLBXQE-STQMWFEESA-N 1 1 278.421 3.186 20 30 CGEDMO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598586090 347666702 /nfs/dbraw/zinc/66/67/02/347666702.db2.gz COLUIYMSCXYOJI-AAEUAGOBSA-N 1 1 296.361 3.258 20 30 CGEDMO C[C@@H]1CC[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@H](c2ccco2)C1 ZINC000598594309 347668225 /nfs/dbraw/zinc/66/82/25/347668225.db2.gz FROQVICJEVQFIS-KFWWJZLASA-N 1 1 290.407 3.353 20 30 CGEDMO CC(C)[C@@H]1CCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598594102 347668520 /nfs/dbraw/zinc/66/85/20/347668520.db2.gz XVSXJGHLEOWCFV-CABCVRRESA-N 1 1 266.429 3.045 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000598592796 347668641 /nfs/dbraw/zinc/66/86/41/347668641.db2.gz NGZGCFBVWOUUCL-CABCVRRESA-N 1 1 290.407 3.497 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000598618980 347672079 /nfs/dbraw/zinc/67/20/79/347672079.db2.gz TUDQJNMMWFGZPU-IAGOWNOFSA-N 1 1 286.419 3.167 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000598627105 347673207 /nfs/dbraw/zinc/67/32/07/347673207.db2.gz PFEBJEAMIHBMJI-JKSUJKDBSA-N 1 1 278.440 3.189 20 30 CGEDMO CCC(O)(CC)C[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000599672319 347763567 /nfs/dbraw/zinc/76/35/67/347763567.db2.gz DGNBROYKRMYPQG-UHFFFAOYSA-N 1 1 288.435 3.471 20 30 CGEDMO Cc1cccnc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599676497 347764400 /nfs/dbraw/zinc/76/44/00/347764400.db2.gz DPUVRZNHTXQHQY-UHFFFAOYSA-N 1 1 277.371 3.014 20 30 CGEDMO N#CCc1cccc2c1CC[N@@H+](CC1CC=CC1)C2 ZINC000599677681 347764448 /nfs/dbraw/zinc/76/44/48/347764448.db2.gz JLLITOZCJZGVNS-UHFFFAOYSA-N 1 1 252.361 3.077 20 30 CGEDMO Cc1ccncc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677882 347764920 /nfs/dbraw/zinc/76/49/20/347764920.db2.gz QSEGIEZVYUKQIY-UHFFFAOYSA-N 1 1 277.371 3.014 20 30 CGEDMO COc1ccc([C@H]2CC[N@@H+](CCCCC#N)C2)cc1F ZINC000599677998 347764948 /nfs/dbraw/zinc/76/49/48/347764948.db2.gz HLVIADUQVOUWAH-AWEZNQCLSA-N 1 1 276.355 3.317 20 30 CGEDMO CC[C@H]1C[N@@H+](Cc2ccc(C)c(C#N)c2)CCS1 ZINC000599303772 347733328 /nfs/dbraw/zinc/73/33/28/347733328.db2.gz SCTPXYRKQLZLTN-HNNXBMFYSA-N 1 1 260.406 3.194 20 30 CGEDMO CC1(C)C[N@@H+](C[C@H](O)CC2(C#N)CC2)[C@@H]1c1ccccc1 ZINC000599329637 347736163 /nfs/dbraw/zinc/73/61/63/347736163.db2.gz AWODYMZELYCPQJ-HZPDHXFCSA-N 1 1 284.403 3.124 20 30 CGEDMO Cc1cnc(CC[N@H+](C)Cc2ccc(C)c(C#N)c2)s1 ZINC000599340301 347737136 /nfs/dbraw/zinc/73/71/36/347737136.db2.gz SBNLNPJVGCKWLE-UHFFFAOYSA-N 1 1 285.416 3.306 20 30 CGEDMO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(C)c(C#N)c2)s1 ZINC000599362786 347739877 /nfs/dbraw/zinc/73/98/77/347739877.db2.gz MGRLVDDDWNSWCV-GFCCVEGCSA-N 1 1 271.389 3.482 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)cc1C#N ZINC000599421647 347742821 /nfs/dbraw/zinc/74/28/21/347742821.db2.gz HGACSQDWZPJQBN-LBPRGKRZSA-N 1 1 264.319 3.344 20 30 CGEDMO Cc1ccc(C[N@H+]2CCCO[C@H](C(C)C)C2)cc1C#N ZINC000599431073 347743967 /nfs/dbraw/zinc/74/39/67/347743967.db2.gz OVHNBFYFRLYIBL-KRWDZBQOSA-N 1 1 272.392 3.114 20 30 CGEDMO Cc1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)cc1C#N ZINC000599436374 347745517 /nfs/dbraw/zinc/74/55/17/347745517.db2.gz JOMUTICMDNTEKZ-RBUKOAKNSA-N 1 1 292.382 3.175 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@]3(CC3(F)F)C2)cc1C#N ZINC000599453648 347746148 /nfs/dbraw/zinc/74/61/48/347746148.db2.gz WZWZWLFCIGGOFJ-AWEZNQCLSA-N 1 1 262.303 3.098 20 30 CGEDMO CC(C)C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000599470018 347747589 /nfs/dbraw/zinc/74/75/89/347747589.db2.gz OOGVFYDPJZLMKQ-CABCVRRESA-N 1 1 294.439 3.368 20 30 CGEDMO CC(C)C[C@@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@H](CC#N)C1 ZINC000599470018 347747591 /nfs/dbraw/zinc/74/75/91/347747591.db2.gz OOGVFYDPJZLMKQ-CABCVRRESA-N 1 1 294.439 3.368 20 30 CGEDMO N#CC1(CCC[N@@H+]2CCCC(F)(F)CC2)CCOCC1 ZINC000599551783 347753433 /nfs/dbraw/zinc/75/34/33/347753433.db2.gz BHSHBQWFIMWKNG-UHFFFAOYSA-N 1 1 286.366 3.208 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCCC(F)(F)CC1 ZINC000599552230 347753628 /nfs/dbraw/zinc/75/36/28/347753628.db2.gz YKWGRCAYSMLEQA-UHFFFAOYSA-N 1 1 268.282 3.319 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CCCC(F)(F)CC1 ZINC000599552230 347753629 /nfs/dbraw/zinc/75/36/29/347753629.db2.gz YKWGRCAYSMLEQA-UHFFFAOYSA-N 1 1 268.282 3.319 20 30 CGEDMO CCOCC[N@@H+](CCCC#N)[C@@H]1CCc2ccccc21 ZINC000599625743 347759699 /nfs/dbraw/zinc/75/96/99/347759699.db2.gz NSSWRWGCBLNQDE-QGZVFWFLSA-N 1 1 272.392 3.316 20 30 CGEDMO CC(C)(C)OC(=O)C(C)(C)[NH2+]CCCCC(C)(C)C#N ZINC000599648436 347761305 /nfs/dbraw/zinc/76/13/05/347761305.db2.gz IJWYJHRWBWHGFO-UHFFFAOYSA-N 1 1 282.428 3.416 20 30 CGEDMO CC[C@@H]1[NH2+]CC[C@H]1NC1CCC(C#N)(c2ccccc2)CC1 ZINC000600706010 347829435 /nfs/dbraw/zinc/82/94/35/347829435.db2.gz CDHNCSQKRJYASI-CXUOOODFSA-N 1 1 297.446 3.121 20 30 CGEDMO C[C@@]1(C2CCCCC2)CC[N@H+]1C[C@@H](O)CC1(C#N)CC1 ZINC000601961204 347930201 /nfs/dbraw/zinc/93/02/01/347930201.db2.gz BREYSEHZJUFKPS-HOTGVXAUSA-N 1 1 276.424 3.086 20 30 CGEDMO N#Cc1cccc(C[N@@H+](Cc2ccc(F)cc2)C2CC2)n1 ZINC000602423034 347955353 /nfs/dbraw/zinc/95/53/53/347955353.db2.gz BQGQAPRYRNKORC-UHFFFAOYSA-N 1 1 281.334 3.257 20 30 CGEDMO N#Cc1cccc(C[N@H+](Cc2ccc(F)cc2)C2CC2)n1 ZINC000602423034 347955356 /nfs/dbraw/zinc/95/53/56/347955356.db2.gz BQGQAPRYRNKORC-UHFFFAOYSA-N 1 1 281.334 3.257 20 30 CGEDMO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1cccc(C#N)n1 ZINC000602435253 347956866 /nfs/dbraw/zinc/95/68/66/347956866.db2.gz JYGSTUPETFAIHR-LLVKDONJSA-N 1 1 287.313 3.424 20 30 CGEDMO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602435253 347956869 /nfs/dbraw/zinc/95/68/69/347956869.db2.gz JYGSTUPETFAIHR-LLVKDONJSA-N 1 1 287.313 3.424 20 30 CGEDMO Cc1ccccc1OCC[N@H+](C)C[C@H](C)CCC#N ZINC000602436266 347957017 /nfs/dbraw/zinc/95/70/17/347957017.db2.gz MLGZIFKQVUISOY-CQSZACIVSA-N 1 1 260.381 3.246 20 30 CGEDMO CCOc1ccc(C[N@@H+](C)C[C@H](C)CCC#N)cc1 ZINC000602431328 347957284 /nfs/dbraw/zinc/95/72/84/347957284.db2.gz AJOWRUWVUPSBOS-CQSZACIVSA-N 1 1 260.381 3.457 20 30 CGEDMO CC[N@H+](Cc1ccc(OC)cc1OC)C[C@H](C)CCC#N ZINC000602443569 347958831 /nfs/dbraw/zinc/95/88/31/347958831.db2.gz JJCVXZUVMGFJMD-CQSZACIVSA-N 1 1 290.407 3.466 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCOc2ccccc2[C@H]1C ZINC000602446764 347959023 /nfs/dbraw/zinc/95/90/23/347959023.db2.gz AHXBFLLHLDACMH-ZIAGYGMSSA-N 1 1 258.365 3.382 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000602453238 347960814 /nfs/dbraw/zinc/96/08/14/347960814.db2.gz HTYCUVZIKKOBQH-BFYDXBDKSA-N 1 1 272.392 3.388 20 30 CGEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602466733 347962993 /nfs/dbraw/zinc/96/29/93/347962993.db2.gz WAUHXRZSZYVEHX-CQSZACIVSA-N 1 1 295.386 3.025 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000602468162 347963166 /nfs/dbraw/zinc/96/31/66/347963166.db2.gz JWTMXVDVZKJLLR-CRAIPNDOSA-N 1 1 286.419 3.298 20 30 CGEDMO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cc1cccc(C#N)n1 ZINC000602477943 347965127 /nfs/dbraw/zinc/96/51/27/347965127.db2.gz UTXATQGLAHAEKG-NVXWUHKLSA-N 1 1 291.398 3.406 20 30 CGEDMO CC[C@H](O)C[N@H+](Cc1ccccc1)C[C@@H](C)CCC#N ZINC000602475886 347965178 /nfs/dbraw/zinc/96/51/78/347965178.db2.gz MAMNDPWFTMTYGG-RDJZCZTQSA-N 1 1 274.408 3.199 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000602480161 347965722 /nfs/dbraw/zinc/96/57/22/347965722.db2.gz UNYZRWMDDMOEBJ-OCCSQVGLSA-N 1 1 264.394 3.061 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000602480161 347965723 /nfs/dbraw/zinc/96/57/23/347965723.db2.gz UNYZRWMDDMOEBJ-OCCSQVGLSA-N 1 1 264.394 3.061 20 30 CGEDMO C[C@H](CCC#N)C[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC000602523289 347975309 /nfs/dbraw/zinc/97/53/09/347975309.db2.gz AGPFUCVDRFEXGA-IEBWSBKVSA-N 1 1 299.462 3.428 20 30 CGEDMO Cn1ccnc1[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)C1CC1 ZINC000602580199 347987205 /nfs/dbraw/zinc/98/72/05/347987205.db2.gz DZRMAHAXMBQHDN-MRXNPFEDSA-N 1 1 292.386 3.022 20 30 CGEDMO C[C@H](C#N)C[NH2+]Cc1ccccc1CC(F)(F)F ZINC000602607777 347992942 /nfs/dbraw/zinc/99/29/42/347992942.db2.gz MIIJXTNSKGYZEL-SNVBAGLBSA-N 1 1 256.271 3.041 20 30 CGEDMO CC(C)(C#N)CN[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602617730 347994867 /nfs/dbraw/zinc/99/48/67/347994867.db2.gz ZRODAYAVODCLLP-FUHWJXTLSA-N 1 1 297.446 3.494 20 30 CGEDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@@H](C)CCC#N ZINC000602641432 347998976 /nfs/dbraw/zinc/99/89/76/347998976.db2.gz FEZXSPVCMMCOHU-DOTOQJQBSA-N 1 1 274.408 3.116 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C)Cc1ccccc1N(C)C ZINC000602666256 348004127 /nfs/dbraw/zinc/00/41/27/348004127.db2.gz ZMQREADDXPGUIV-AWEZNQCLSA-N 1 1 259.397 3.124 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C)Cc1c(F)cccc1F ZINC000602673954 348006635 /nfs/dbraw/zinc/00/66/35/348006635.db2.gz AAPKPNSLOARLBV-NSHDSACASA-N 1 1 252.308 3.336 20 30 CGEDMO C[C@]1(c2ccccc2)CC[N@@H+](CC2(CC#N)CC2)C1 ZINC000602786264 348029032 /nfs/dbraw/zinc/02/90/32/348029032.db2.gz FOGFQPNARVGCAE-INIZCTEOSA-N 1 1 254.377 3.344 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000602685216 348008920 /nfs/dbraw/zinc/00/89/20/348008920.db2.gz ZIVLOWJOCRTYQU-CJNGLKHVSA-N 1 1 276.355 3.139 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC000602685216 348008923 /nfs/dbraw/zinc/00/89/23/348008923.db2.gz ZIVLOWJOCRTYQU-CJNGLKHVSA-N 1 1 276.355 3.139 20 30 CGEDMO CC[C@@](C)(C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1)OC ZINC000602691151 348009675 /nfs/dbraw/zinc/00/96/75/348009675.db2.gz DGWKCGIPYMKBPG-BBRMVZONSA-N 1 1 260.381 3.366 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)C1CC(OC(C)(C)C)C1 ZINC000602698981 348012006 /nfs/dbraw/zinc/01/20/06/348012006.db2.gz OORXHXBGJGBXCS-IYXRBSQSSA-N 1 1 252.402 3.204 20 30 CGEDMO CCC1([NH+]2CCCC2)CCN(C[C@H](C)CCC#N)CC1 ZINC000602733247 348020926 /nfs/dbraw/zinc/02/09/26/348020926.db2.gz MNNFPTVSNOCQIJ-MRXNPFEDSA-N 1 1 277.456 3.267 20 30 CGEDMO N#CCC1(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000602800114 348031135 /nfs/dbraw/zinc/03/11/35/348031135.db2.gz PZHQOVYNEZMXSL-UHFFFAOYSA-N 1 1 285.347 3.253 20 30 CGEDMO C[C@@H](c1ccsc1)[NH+]1CCN(CC2(CC#N)CC2)CC1 ZINC000602812459 348033258 /nfs/dbraw/zinc/03/32/58/348033258.db2.gz XQZFOXBZEPWCHW-AWEZNQCLSA-N 1 1 289.448 3.121 20 30 CGEDMO C[C@@H](c1ccsc1)N1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602812459 348033261 /nfs/dbraw/zinc/03/32/61/348033261.db2.gz XQZFOXBZEPWCHW-AWEZNQCLSA-N 1 1 289.448 3.121 20 30 CGEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@H+]2CC2(CC#N)CC2)C1 ZINC000602829753 348034895 /nfs/dbraw/zinc/03/48/95/348034895.db2.gz VJZCQZXPQXMTLN-VQHPVUNQSA-N 1 1 290.451 3.332 20 30 CGEDMO Cc1ccc(C[N@@H+](CC2CC2)CC2(CC#N)CC2)cn1 ZINC000602850235 348036503 /nfs/dbraw/zinc/03/65/03/348036503.db2.gz CTPYLKNWNYOBEX-UHFFFAOYSA-N 1 1 269.392 3.296 20 30 CGEDMO N#CCC1(C[NH2+][C@@H](Cc2ccccc2)c2ncco2)CC1 ZINC000602873621 348039051 /nfs/dbraw/zinc/03/90/51/348039051.db2.gz QTPAMXLDBULIQR-HNNXBMFYSA-N 1 1 281.359 3.242 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000602881735 348039905 /nfs/dbraw/zinc/03/99/05/348039905.db2.gz HFUBNFHIBIXUFN-CQSZACIVSA-N 1 1 292.386 3.142 20 30 CGEDMO C[N@@H+](Cc1cccc2ncccc12)[C@H]1CCC[C@H]1C#N ZINC000602981703 348051348 /nfs/dbraw/zinc/05/13/48/348051348.db2.gz IGONFCICRBKIQE-GUYCJALGSA-N 1 1 265.360 3.359 20 30 CGEDMO C[N@@H+](C[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CCC[C@@H]1C#N ZINC000602981899 348051687 /nfs/dbraw/zinc/05/16/87/348051687.db2.gz KYVCRFACQOPWIA-LTIDMASMSA-N 1 1 254.377 3.414 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000603000171 348053997 /nfs/dbraw/zinc/05/39/97/348053997.db2.gz WTUFVSZTAYAWKM-CVEARBPZSA-N 1 1 278.440 3.189 20 30 CGEDMO C=CC[N@H+](CCCCC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000605150895 348148707 /nfs/dbraw/zinc/14/87/07/348148707.db2.gz ZIRKDAHODLUJSF-HNNXBMFYSA-N 1 1 299.422 3.402 20 30 CGEDMO C=CCCCCCN(C)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000606919802 348209023 /nfs/dbraw/zinc/20/90/23/348209023.db2.gz LKXDZCCQSBSJLJ-MRXNPFEDSA-N 1 1 295.471 3.106 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccnc(C#N)c2)[C@@H]2CCCC[C@H]12 ZINC000610991972 348413854 /nfs/dbraw/zinc/41/38/54/348413854.db2.gz NTUNLGVAYLBGAO-KBRIMQKVSA-N 1 1 269.392 3.354 20 30 CGEDMO C[C@H]1c2ccccc2CC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610992766 348414986 /nfs/dbraw/zinc/41/49/86/348414986.db2.gz IMTWRLQVPIRQBF-ZDUSSCGKSA-N 1 1 263.344 3.073 20 30 CGEDMO C[C@H]1c2ccccc2CC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000610992766 348414990 /nfs/dbraw/zinc/41/49/90/348414990.db2.gz IMTWRLQVPIRQBF-ZDUSSCGKSA-N 1 1 263.344 3.073 20 30 CGEDMO CC[N@@H+](CCc1ccccc1)Cc1ccnc(C#N)c1 ZINC000610992085 348415120 /nfs/dbraw/zinc/41/51/20/348415120.db2.gz XGBNLHOTIOUGDT-UHFFFAOYSA-N 1 1 265.360 3.018 20 30 CGEDMO CC[C@@H](C)[C@H]1CCCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610993346 348415323 /nfs/dbraw/zinc/41/53/23/348415323.db2.gz NOTIHJYOGLWNHR-CZUORRHYSA-N 1 1 257.381 3.354 20 30 CGEDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1ccnc(C#N)c1 ZINC000610993441 348416313 /nfs/dbraw/zinc/41/63/13/348416313.db2.gz SOFMUTBGJUSVAE-PBHICJAKSA-N 1 1 277.371 3.331 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)ccn1 ZINC000610995193 348417142 /nfs/dbraw/zinc/41/71/42/348417142.db2.gz XLRVLJGLFXXCJW-KRWDZBQOSA-N 1 1 292.386 3.030 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]2c2ccccc2)ccn1 ZINC000610995336 348417591 /nfs/dbraw/zinc/41/75/91/348417591.db2.gz SUJVDMBNNWEEHT-QGZVFWFLSA-N 1 1 263.344 3.290 20 30 CGEDMO Cc1ccncc1[C@H](C)[NH2+]Cc1ccccc1C#N ZINC000611293171 348435731 /nfs/dbraw/zinc/43/57/31/348435731.db2.gz VPAOWLUUUZJXGC-ZDUSSCGKSA-N 1 1 251.333 3.113 20 30 CGEDMO CC[N@H+](CCC(F)(F)F)Cc1cccc(C#N)c1F ZINC000611371364 348441423 /nfs/dbraw/zinc/44/14/23/348441423.db2.gz GBCUAHAEFFOMSW-UHFFFAOYSA-N 1 1 274.261 3.472 20 30 CGEDMO CC[N@@H+](CCC(F)(F)F)Cc1cccc(C#N)c1F ZINC000611371364 348441426 /nfs/dbraw/zinc/44/14/26/348441426.db2.gz GBCUAHAEFFOMSW-UHFFFAOYSA-N 1 1 274.261 3.472 20 30 CGEDMO C[C@H]([NH2+]Cc1ccnc(C#N)c1)c1ccc(F)cc1F ZINC000611376462 348442202 /nfs/dbraw/zinc/44/22/02/348442202.db2.gz HORUODHZMQRHBT-JTQLQIEISA-N 1 1 273.286 3.082 20 30 CGEDMO CC(C)[N@@H+]1CCCC[C@H]1CN[C@H](C)c1cccc(C#N)c1 ZINC000611438828 348452225 /nfs/dbraw/zinc/45/22/25/348452225.db2.gz BIZFKLZJLBEENM-QAPCUYQASA-N 1 1 285.435 3.472 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@H]1CN[C@H](C)c1cccc(C#N)c1 ZINC000611438828 348452229 /nfs/dbraw/zinc/45/22/29/348452229.db2.gz BIZFKLZJLBEENM-QAPCUYQASA-N 1 1 285.435 3.472 20 30 CGEDMO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1CCCSCC#N ZINC000611554392 348460760 /nfs/dbraw/zinc/46/07/60/348460760.db2.gz NFBHVCVVUCCZDU-WDEREUQCSA-N 1 1 280.359 3.296 20 30 CGEDMO C[C@@H]1C[C@@H](Nc2nc(C(C)(C)C)ccc2C#N)CC[N@H+]1C ZINC000613426131 348600453 /nfs/dbraw/zinc/60/04/53/348600453.db2.gz SHTFQUUQZYYMKG-OCCSQVGLSA-N 1 1 286.423 3.145 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CC[C@H](Cc3ccncc3)C2)cc1 ZINC000613179386 348571768 /nfs/dbraw/zinc/57/17/68/348571768.db2.gz WCSNWULKPCFXNE-LJQANCHMSA-N 1 1 291.398 3.212 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)c1F ZINC000613180342 348571858 /nfs/dbraw/zinc/57/18/58/348571858.db2.gz WGHWQRNSZSGQCG-HNNXBMFYSA-N 1 1 295.361 3.157 20 30 CGEDMO CC[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C[C@@H]1CCOC1 ZINC000614160758 348653323 /nfs/dbraw/zinc/65/33/23/348653323.db2.gz CZTWBUODDINNSZ-INIZCTEOSA-N 1 1 286.419 3.346 20 30 CGEDMO CC[N@H+](Cc1ccc(Cl)cc1C#N)C[C@@H]1CCOC1 ZINC000614160959 348653744 /nfs/dbraw/zinc/65/37/44/348653744.db2.gz ZHILVKWNBMRWJN-LBPRGKRZSA-N 1 1 278.783 3.070 20 30 CGEDMO CC(C)[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C[C@@H](C)O ZINC000614167244 348654242 /nfs/dbraw/zinc/65/42/42/348654242.db2.gz CRAFXIIFJZQXFL-CQSZACIVSA-N 1 1 274.408 3.079 20 30 CGEDMO CCn1cc(C[N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)cn1 ZINC000614167526 348654279 /nfs/dbraw/zinc/65/42/79/348654279.db2.gz SBEQCJBMSFTKGI-UHFFFAOYSA-N 1 1 296.418 3.336 20 30 CGEDMO C[C@H](CC#N)[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614171368 348654407 /nfs/dbraw/zinc/65/44/07/348654407.db2.gz NIFUGYHBEQFLEZ-CYBMUJFWSA-N 1 1 255.365 3.222 20 30 CGEDMO C[C@H](CC#N)[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614171368 348654410 /nfs/dbraw/zinc/65/44/10/348654410.db2.gz NIFUGYHBEQFLEZ-CYBMUJFWSA-N 1 1 255.365 3.222 20 30 CGEDMO C[N@H+](CCOC(C)(C)C)Cc1ccc(Cl)cc1C#N ZINC000614171398 348654498 /nfs/dbraw/zinc/65/44/98/348654498.db2.gz WHLHCYAIZNAUFI-UHFFFAOYSA-N 1 1 280.799 3.459 20 30 CGEDMO C[N@@H+](CCOC(C)(C)C)Cc1ccc(Cl)cc1C#N ZINC000614171398 348654500 /nfs/dbraw/zinc/65/45/00/348654500.db2.gz WHLHCYAIZNAUFI-UHFFFAOYSA-N 1 1 280.799 3.459 20 30 CGEDMO C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614177397 348655311 /nfs/dbraw/zinc/65/53/11/348655311.db2.gz MHGBBWUHZPXSLX-PBHICJAKSA-N 1 1 286.419 3.223 20 30 CGEDMO CC[C@]1(CO)CCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000615238746 348726355 /nfs/dbraw/zinc/72/63/55/348726355.db2.gz QASUBGFULVNSFF-GOSISDBHSA-N 1 1 286.419 3.225 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000614407656 348674925 /nfs/dbraw/zinc/67/49/25/348674925.db2.gz VPDDSSCFFVMHQN-IAGOWNOFSA-N 1 1 286.419 3.096 20 30 CGEDMO C=CCC1(C(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)CCCC1 ZINC000615608106 348753091 /nfs/dbraw/zinc/75/30/91/348753091.db2.gz RFLLTFDLRIMGLA-QGZVFWFLSA-N 1 1 290.451 3.067 20 30 CGEDMO COc1ccccc1[C@@H]1CC[N@@H+](C[C@@H](C)CCC#N)C1 ZINC000618888225 349176170 /nfs/dbraw/zinc/17/61/70/349176170.db2.gz OKFIPYQSNOKSIT-LSDHHAIUSA-N 1 1 272.392 3.424 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@H+](CCC)C2)CCCCC1 ZINC000619905710 349288968 /nfs/dbraw/zinc/28/89/68/349288968.db2.gz XRROABBWQHXQEG-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000619509245 349255407 /nfs/dbraw/zinc/25/54/07/349255407.db2.gz OBPWGQOXAWMIER-GOSISDBHSA-N 1 1 284.403 3.180 20 30 CGEDMO CCn1ccc(C[N@@H+](C)CCCC2(C#N)CCOCC2)c1 ZINC000619621676 349263690 /nfs/dbraw/zinc/26/36/90/349263690.db2.gz OZMDEFIHIBKNHI-UHFFFAOYSA-N 1 1 289.423 3.040 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@H](OC(F)F)C2)cc1 ZINC000619815606 349285808 /nfs/dbraw/zinc/28/58/08/349285808.db2.gz XWUODVYWWXNDNC-AWEZNQCLSA-N 1 1 294.345 3.301 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC(=O)c1c[nH]c2ccc(F)cc21 ZINC000625062999 350124288 /nfs/dbraw/zinc/12/42/88/350124288.db2.gz ATOPIOTZCOOQOL-UHFFFAOYSA-N 1 1 274.339 3.388 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)c1c[nH]c2ccc(F)cc21 ZINC000625062999 350124291 /nfs/dbraw/zinc/12/42/91/350124291.db2.gz ATOPIOTZCOOQOL-UHFFFAOYSA-N 1 1 274.339 3.388 20 30 CGEDMO FC1(F)C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1 ZINC000625681549 350196019 /nfs/dbraw/zinc/19/60/19/350196019.db2.gz OFDBTNVKQYFJNM-GASCZTMLSA-N 1 1 261.315 3.300 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CCOCc2ccc(OC)cc2)C1 ZINC000625702292 350199655 /nfs/dbraw/zinc/19/96/55/350199655.db2.gz WVJVSXYAAJKZML-OAHLLOKOSA-N 1 1 275.392 3.110 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](CC(=O)N(Cc2ccccc2)C2CC2)C1 ZINC000625702184 350199793 /nfs/dbraw/zinc/19/97/93/350199793.db2.gz DYXPPBJHNYXYSW-INIZCTEOSA-N 1 1 298.430 3.076 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(C)cc3)o2)C1 ZINC000625705210 350200914 /nfs/dbraw/zinc/20/09/14/350200914.db2.gz YPXBPGSWTQBUBX-CQSZACIVSA-N 1 1 283.375 3.443 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000625704659 350201042 /nfs/dbraw/zinc/20/10/42/350201042.db2.gz ZMKHJWRVWSKRDX-HNNXBMFYSA-N 1 1 267.376 3.270 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CC(=O)Nc2ccc(C)cc2C)C1 ZINC000625705146 350201076 /nfs/dbraw/zinc/20/10/76/350201076.db2.gz XLHFCRFQDJFYSE-HNNXBMFYSA-N 1 1 272.392 3.140 20 30 CGEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2cnccc2C)CC1 ZINC000271332789 191078919 /nfs/dbraw/zinc/07/89/19/191078919.db2.gz BIYNAVYXOYIXMB-OAHLLOKOSA-N 1 1 273.424 3.081 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000271355483 191091728 /nfs/dbraw/zinc/09/17/28/191091728.db2.gz ZAZWSMAKQHWQAI-GFCCVEGCSA-N 1 1 271.364 3.032 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCSC3(CCC3)CC2)c1 ZINC000335642352 212357673 /nfs/dbraw/zinc/35/76/73/212357673.db2.gz IHRVFOHCGLGQEY-UHFFFAOYSA-N 1 1 278.446 3.481 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)CCCC1 ZINC000628966362 350628655 /nfs/dbraw/zinc/62/86/55/350628655.db2.gz QQZSBIGPPHXEOJ-MRXNPFEDSA-N 1 1 290.451 3.256 20 30 CGEDMO C=CCCCCS(=O)(=O)Cc1c(C)cc(C)[nH+]c1C ZINC000630448868 350841612 /nfs/dbraw/zinc/84/16/12/350841612.db2.gz GNKQNGPVGHIGGC-UHFFFAOYSA-N 1 1 281.421 3.278 20 30 CGEDMO C=C1CC(C)(C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000631818665 351148144 /nfs/dbraw/zinc/14/81/44/351148144.db2.gz TYTVCQXGQNAEFV-KRWDZBQOSA-N 1 1 298.430 3.076 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000633096060 351242652 /nfs/dbraw/zinc/24/26/52/351242652.db2.gz AASYAVMHBFVFBF-NVXWUHKLSA-N 1 1 298.430 3.122 20 30 CGEDMO C=CCCc1ccccc1NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC000632883328 351227324 /nfs/dbraw/zinc/22/73/24/351227324.db2.gz TVTBCFLFJQDNBP-DOTOQJQBSA-N 1 1 286.419 3.474 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)cc1F ZINC000364587398 234051920 /nfs/dbraw/zinc/05/19/20/234051920.db2.gz BWKNDXLGVOSQRQ-MRXNPFEDSA-N 1 1 288.366 3.088 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000292141324 198179538 /nfs/dbraw/zinc/17/95/38/198179538.db2.gz MLKDVRFEAUZISU-RDTXWAMCSA-N 1 1 284.403 3.368 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc(OC)c(OC)cc1SC ZINC000152659976 188034967 /nfs/dbraw/zinc/03/49/67/188034967.db2.gz CVBMEVQGPLTYNR-UHFFFAOYSA-N 1 1 281.421 3.434 20 30 CGEDMO N#Cc1ccc(C[NH+]2CC(c3ccccc3F)C2)s1 ZINC000336450958 213318123 /nfs/dbraw/zinc/31/81/23/213318123.db2.gz AGVLHQQFJOOJSC-UHFFFAOYSA-N 1 1 272.348 3.358 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)Nc1ccccc1OCC ZINC000155137776 188186105 /nfs/dbraw/zinc/18/61/05/188186105.db2.gz SZRDZVUWZWVRKL-CQSZACIVSA-N 1 1 290.407 3.310 20 30 CGEDMO C[C@@H](CC#N)[N@H+](C)CCc1cccc(OC(F)(F)F)c1 ZINC000156918361 188287858 /nfs/dbraw/zinc/28/78/58/188287858.db2.gz NFPYOGPERLAOHJ-NSHDSACASA-N 1 1 286.297 3.362 20 30 CGEDMO C[C@@H](CC#N)[N@@H+](C)CCc1cccc(OC(F)(F)F)c1 ZINC000156918361 188287859 /nfs/dbraw/zinc/28/78/59/188287859.db2.gz NFPYOGPERLAOHJ-NSHDSACASA-N 1 1 286.297 3.362 20 30 CGEDMO CSC[C@@H]1CCC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000292554575 198330975 /nfs/dbraw/zinc/33/09/75/198330975.db2.gz YWFKTTAOIXYQCM-OAHLLOKOSA-N 1 1 290.432 3.012 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)CC1=CCCOC1 ZINC000119272363 370661918 /nfs/dbraw/zinc/66/19/18/370661918.db2.gz QSGUNFNSBAMCET-UHFFFAOYSA-N 1 1 270.376 3.117 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCSC2(CCC2)CC1 ZINC000411865912 235089884 /nfs/dbraw/zinc/08/98/84/235089884.db2.gz GOCGAKQAEZGCTN-UHFFFAOYSA-N 1 1 272.417 3.420 20 30 CGEDMO N#Cc1cccc(C[NH2+][C@@H]2COc3ccc(Cl)cc32)c1 ZINC000336359323 213209363 /nfs/dbraw/zinc/20/93/63/213209363.db2.gz XOFPUMLLMPLLKW-OAHLLOKOSA-N 1 1 284.746 3.435 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCCCNc1ncc(C#N)cc1F ZINC000413057007 235247332 /nfs/dbraw/zinc/24/73/32/235247332.db2.gz FACYXVYFWFIQSZ-CYBMUJFWSA-N 1 1 290.386 3.159 20 30 CGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2C2CCC2)cc1 ZINC000328911314 202107669 /nfs/dbraw/zinc/10/76/69/202107669.db2.gz GGHBTQVUJGJLMX-QGZVFWFLSA-N 1 1 297.402 3.151 20 30 CGEDMO C[C@@H]1CC[C@@H](C)[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000088704475 138342503 /nfs/dbraw/zinc/34/25/03/138342503.db2.gz KJKBBMCCDUXLMY-ZIAGYGMSSA-N 1 1 258.365 3.057 20 30 CGEDMO COc1ccc(C[N@H+]2C[C@H](C)CC[C@H]2C)cc1C#N ZINC000088704607 138342810 /nfs/dbraw/zinc/34/28/10/138342810.db2.gz JFLRDSNAXDAVPU-CHWSQXEVSA-N 1 1 258.365 3.187 20 30 CGEDMO CC(C)C[C@@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000093338488 138345502 /nfs/dbraw/zinc/34/55/02/138345502.db2.gz YUGWVIWNPXGIGX-AWEZNQCLSA-N 1 1 282.391 3.074 20 30 CGEDMO CCCO[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000108393274 138360243 /nfs/dbraw/zinc/36/02/43/138360243.db2.gz JCSVPOIKOLOPJZ-INIZCTEOSA-N 1 1 290.382 3.478 20 30 CGEDMO C[C@H](c1cccnc1)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000111272098 138364098 /nfs/dbraw/zinc/36/40/98/138364098.db2.gz DDPATPMPGSMQHK-CQSZACIVSA-N 1 1 281.359 3.025 20 30 CGEDMO Cc1cc(C[N@H+]2CCCC3(CCOCC3)C2)ccc1C#N ZINC000336305143 213144698 /nfs/dbraw/zinc/14/46/98/213144698.db2.gz JYDOWOPIWMXEOZ-UHFFFAOYSA-N 1 1 284.403 3.259 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@H]1C ZINC000336257605 213093121 /nfs/dbraw/zinc/09/31/21/213093121.db2.gz PLXXPINMAVWRTL-ABAIWWIYSA-N 1 1 278.783 3.068 20 30 CGEDMO CCCc1[nH+]ccn1Cc1ccc(Cl)cc1C#N ZINC000274808498 192787227 /nfs/dbraw/zinc/78/72/27/192787227.db2.gz QGPOTCFBUNTDSL-UHFFFAOYSA-N 1 1 259.740 3.409 20 30 CGEDMO C[C@@]12CC[N@H+](Cc3ccc(C#N)cc3F)C[C@@H]1C2(F)F ZINC000298300624 200388327 /nfs/dbraw/zinc/38/83/27/200388327.db2.gz POTUHGKOHLNIEI-UONOGXRCSA-N 1 1 280.293 3.174 20 30 CGEDMO C[C@@]12CC[N@@H+](Cc3ccc(C#N)cc3F)C[C@@H]1C2(F)F ZINC000298300624 200388328 /nfs/dbraw/zinc/38/83/28/200388328.db2.gz POTUHGKOHLNIEI-UONOGXRCSA-N 1 1 280.293 3.174 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)c(Cl)c1 ZINC000342026760 216192772 /nfs/dbraw/zinc/19/27/72/216192772.db2.gz VGFITIDYFWPXBT-HOTGVXAUSA-N 1 1 290.794 3.355 20 30 CGEDMO CC[C@H]1CCCC[N@H+]1CCNc1ccc(F)cc1C#N ZINC000301412091 201001220 /nfs/dbraw/zinc/00/12/20/201001220.db2.gz YTAYDNCHXMIPGA-HNNXBMFYSA-N 1 1 275.371 3.374 20 30 CGEDMO C[C@@]12C[N@@H+](Cc3cccc(C#N)c3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000449448621 239436049 /nfs/dbraw/zinc/43/60/49/239436049.db2.gz IRVDXHADEYBONS-OWSLCNJRSA-N 1 1 264.372 3.202 20 30 CGEDMO CC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1OC ZINC000120558524 370779827 /nfs/dbraw/zinc/77/98/27/370779827.db2.gz HQAHMFQFLGFHKV-OAHLLOKOSA-N 1 1 258.365 3.331 20 30 CGEDMO COc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)ccn1 ZINC000342861350 216581939 /nfs/dbraw/zinc/58/19/39/216581939.db2.gz XJFMHCATYCRZLQ-UHFFFAOYSA-N 1 1 293.370 3.126 20 30 CGEDMO C[C@H]1Cc2[nH+]cn(Cc3cccc(F)c3C#N)c2C[C@@H]1C ZINC000451005058 240188124 /nfs/dbraw/zinc/18/81/24/240188124.db2.gz WSRVSMOGUYNGRY-RYUDHWBXSA-N 1 1 283.350 3.313 20 30 CGEDMO CS[C@H]1CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000451319403 240274203 /nfs/dbraw/zinc/27/42/03/240274203.db2.gz HVMJMHBPJJRAHC-LBPRGKRZSA-N 1 1 298.358 3.097 20 30 CGEDMO CS[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000451319403 240274207 /nfs/dbraw/zinc/27/42/07/240274207.db2.gz HVMJMHBPJJRAHC-LBPRGKRZSA-N 1 1 298.358 3.097 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)CCc1cccs1 ZINC000121078804 370827766 /nfs/dbraw/zinc/82/77/66/370827766.db2.gz VOILLBFXDXQVIA-UHFFFAOYSA-N 1 1 286.400 3.303 20 30 CGEDMO CC[C@]1(C)CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459338178 242080439 /nfs/dbraw/zinc/08/04/39/242080439.db2.gz AKLWPQOCGNUIEZ-MRXNPFEDSA-N 1 1 287.363 3.479 20 30 CGEDMO CC[C@]1(C)CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459338178 242080445 /nfs/dbraw/zinc/08/04/45/242080445.db2.gz AKLWPQOCGNUIEZ-MRXNPFEDSA-N 1 1 287.363 3.479 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000459416205 242101381 /nfs/dbraw/zinc/10/13/81/242101381.db2.gz UQHGZMJPSSAYGO-XNRPHZJLSA-N 1 1 299.374 3.477 20 30 CGEDMO CN(CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(F)c(C#N)c1 ZINC000121542288 370871592 /nfs/dbraw/zinc/87/15/92/370871592.db2.gz ZTABPDKSJJEBEB-INIZCTEOSA-N 1 1 289.398 3.004 20 30 CGEDMO COCC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CCC[C@H]1C ZINC000488071137 243498396 /nfs/dbraw/zinc/49/83/96/243498396.db2.gz HTLUDDBDPMZFEW-DYVFJYSZSA-N 1 1 290.382 3.334 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000124845014 370927760 /nfs/dbraw/zinc/92/77/60/370927760.db2.gz VTEFJUSMFRUSKN-XHSDSOJGSA-N 1 1 278.440 3.332 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1cccs1 ZINC000035126483 368998982 /nfs/dbraw/zinc/99/89/82/368998982.db2.gz QWINDBOBTCCVKS-UHFFFAOYSA-N 1 1 299.399 3.080 20 30 CGEDMO COc1ccc([C@H](C)[NH2+]CCC#N)cc1Br ZINC000035038078 368992714 /nfs/dbraw/zinc/99/27/14/368992714.db2.gz CNWJAMZOLSIRBR-VIFPVBQESA-N 1 1 283.169 3.022 20 30 CGEDMO CC1CCC([N@@H+](C)CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000042294629 369210791 /nfs/dbraw/zinc/21/07/91/369210791.db2.gz DSCYSPKQXSSMSP-UHFFFAOYSA-N 1 1 285.391 3.007 20 30 CGEDMO C[C@H]([N@@H+](C)CCOc1ccccc1C#N)C(C)(C)C ZINC000042278414 369210459 /nfs/dbraw/zinc/21/04/59/369210459.db2.gz XXNYPCKSXBJNFR-ZDUSSCGKSA-N 1 1 260.381 3.303 20 30 CGEDMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000537697969 376195880 /nfs/dbraw/zinc/19/58/80/376195880.db2.gz QZVJDLQVPOBQNV-YVEFUNNKSA-N 1 1 298.411 3.444 20 30 CGEDMO C[N@@H+](C/C=C/c1ccncc1)Cc1cccc(C#N)c1 ZINC000495083149 244355958 /nfs/dbraw/zinc/35/59/58/244355958.db2.gz YDUYKQWWTNVYFA-ZZXKWVIFSA-N 1 1 263.344 3.098 20 30 CGEDMO C[C@@H](CNc1snc(Cl)c1C#N)[N@H+]1CCC[C@@H](C)C1 ZINC000048559909 369357957 /nfs/dbraw/zinc/35/79/57/369357957.db2.gz RUOADDLVLZVATO-ZJUUUORDSA-N 1 1 298.843 3.200 20 30 CGEDMO C[N@@H+](CCCOc1cccc(C#N)c1)Cc1ccoc1 ZINC000048910328 369373231 /nfs/dbraw/zinc/37/32/31/369373231.db2.gz UQKHUVAIFRYPEZ-UHFFFAOYSA-N 1 1 270.332 3.052 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000128696559 370965798 /nfs/dbraw/zinc/96/57/98/370965798.db2.gz LNXJTOHBYNKVGZ-GOEBONIOSA-N 1 1 279.811 3.456 20 30 CGEDMO C=C(C)CN(CC)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000128736108 370966104 /nfs/dbraw/zinc/96/61/04/370966104.db2.gz VUBQPKFMSZTTQR-INIZCTEOSA-N 1 1 295.471 3.249 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc(=O)oc2cc(C)ccc12 ZINC000276506891 193361292 /nfs/dbraw/zinc/36/12/92/193361292.db2.gz WWWFQRDAYDEENK-UHFFFAOYSA-N 1 1 257.333 3.109 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](O)c1ccccc1C(F)(F)F ZINC000276468756 193343822 /nfs/dbraw/zinc/34/38/22/193343822.db2.gz RHHIAPNLDHFTFM-CYBMUJFWSA-N 1 1 273.298 3.247 20 30 CGEDMO C=CCNC(=O)C[N@H+](CC)[C@@H](C)c1cc2ccccc2o1 ZINC000066434329 369693680 /nfs/dbraw/zinc/69/36/80/369693680.db2.gz YDNHLAXSLRYOLS-ZDUSSCGKSA-N 1 1 286.375 3.118 20 30 CGEDMO C=CCNC(=O)C[N@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000066468878 369695022 /nfs/dbraw/zinc/69/50/22/369695022.db2.gz QEVZCLBALQZOGY-SFHVURJKSA-N 1 1 294.398 3.279 20 30 CGEDMO C[C@H](c1ccco1)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000069065428 369753913 /nfs/dbraw/zinc/75/39/13/369753913.db2.gz QXYVXIJVMQEBMI-CYBMUJFWSA-N 1 1 270.332 3.223 20 30 CGEDMO CCCC[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000070926186 369807557 /nfs/dbraw/zinc/80/75/57/369807557.db2.gz GVOARUHWQYJAJA-HNNXBMFYSA-N 1 1 287.407 3.054 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCC(=O)Nc1cc(F)cc(F)c1 ZINC000072555442 369824695 /nfs/dbraw/zinc/82/46/95/369824695.db2.gz ZPRKJJQCPZBRII-UHFFFAOYSA-N 1 1 282.334 3.191 20 30 CGEDMO CC1(C)CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000070259033 369793458 /nfs/dbraw/zinc/79/34/58/369793458.db2.gz KCJNEQILQNBMTB-UHFFFAOYSA-N 1 1 285.391 3.009 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1nc2ccccc2s1 ZINC000072950102 369845988 /nfs/dbraw/zinc/84/59/88/369845988.db2.gz JLULPSZFRSAVFH-UHFFFAOYSA-N 1 1 289.404 3.133 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1nc2ccccc2s1 ZINC000072950102 369845990 /nfs/dbraw/zinc/84/59/90/369845990.db2.gz JLULPSZFRSAVFH-UHFFFAOYSA-N 1 1 289.404 3.133 20 30 CGEDMO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)CCS1 ZINC000076071907 369928886 /nfs/dbraw/zinc/92/88/86/369928886.db2.gz AFKQRXGLASDJPY-CYBMUJFWSA-N 1 1 264.369 3.025 20 30 CGEDMO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)CCS1 ZINC000076071907 369928888 /nfs/dbraw/zinc/92/88/88/369928888.db2.gz AFKQRXGLASDJPY-CYBMUJFWSA-N 1 1 264.369 3.025 20 30 CGEDMO Cc1ncsc1C[N@@H+](C)CCCC(C)(C)C#N ZINC000087608762 370028596 /nfs/dbraw/zinc/02/85/96/370028596.db2.gz VCYRLSVQNWHUMS-UHFFFAOYSA-N 1 1 251.399 3.213 20 30 CGEDMO CC[N@@H+](Cc1c[nH]nc1-c1cccs1)C[C@H](C)C#N ZINC000091982923 370083047 /nfs/dbraw/zinc/08/30/47/370083047.db2.gz GQGBHYQYRTXYGV-LLVKDONJSA-N 1 1 274.393 3.120 20 30 CGEDMO CC[N@H+](Cc1c[nH]nc1-c1cccs1)C[C@H](C)C#N ZINC000091982923 370083051 /nfs/dbraw/zinc/08/30/51/370083051.db2.gz GQGBHYQYRTXYGV-LLVKDONJSA-N 1 1 274.393 3.120 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000091959264 370083567 /nfs/dbraw/zinc/08/35/67/370083567.db2.gz PNJSILMPJAXASV-GJZGRUSLSA-N 1 1 290.407 3.497 20 30 CGEDMO CC[N@@H+](Cc1ccc2c(c1)CC(C)(C)O2)C[C@H](C)C#N ZINC000091983036 370085683 /nfs/dbraw/zinc/08/56/83/370085683.db2.gz OWCQLSBGZFJFKL-CYBMUJFWSA-N 1 1 272.392 3.382 20 30 CGEDMO CC[N@H+](Cc1ccc2c(c1)CC(C)(C)O2)C[C@H](C)C#N ZINC000091983036 370085688 /nfs/dbraw/zinc/08/56/88/370085688.db2.gz OWCQLSBGZFJFKL-CYBMUJFWSA-N 1 1 272.392 3.382 20 30 CGEDMO C=CC[N@@H+](Cc1cccn1C)Cc1ccc(OC)cc1 ZINC000092217563 370094961 /nfs/dbraw/zinc/09/49/61/370094961.db2.gz URMXVWPXMJYFOH-UHFFFAOYSA-N 1 1 270.376 3.222 20 30 CGEDMO COc1cc(C)c(C[N@H+](CCC#N)CC2CC2)cc1OC ZINC000093091472 370108824 /nfs/dbraw/zinc/10/88/24/370108824.db2.gz DDFIALGKLXKGNE-UHFFFAOYSA-N 1 1 288.391 3.138 20 30 CGEDMO COc1cc(C)c(C[N@@H+](CCC#N)CC2CC2)cc1OC ZINC000093091472 370108829 /nfs/dbraw/zinc/10/88/29/370108829.db2.gz DDFIALGKLXKGNE-UHFFFAOYSA-N 1 1 288.391 3.138 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)cs1)[C@H](CCO)c1ccccc1 ZINC000093442768 370130928 /nfs/dbraw/zinc/13/09/28/370130928.db2.gz FEZLYRYDVVNURJ-MRXNPFEDSA-N 1 1 286.400 3.175 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC3(CCC3)C2)cc1 ZINC000093455854 370133290 /nfs/dbraw/zinc/13/32/90/370133290.db2.gz SNKAYQNYMZRYBB-AWEZNQCLSA-N 1 1 270.376 3.353 20 30 CGEDMO C[N@@H+](CCc1ccccc1)Cc1ccc(F)cc1C#N ZINC000103140830 370319611 /nfs/dbraw/zinc/31/96/11/370319611.db2.gz YCODFMUMSXCRLU-UHFFFAOYSA-N 1 1 268.335 3.372 20 30 CGEDMO CCS[C@@H]1CCCC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000112560579 370435111 /nfs/dbraw/zinc/43/51/11/370435111.db2.gz UKZJYAOUQNNQLX-UONOGXRCSA-N 1 1 265.426 3.038 20 30 CGEDMO N#CCC[C@@H]([NH2+]Cc1cncs1)c1ccccc1 ZINC000130394493 371030136 /nfs/dbraw/zinc/03/01/36/371030136.db2.gz IBNPCEXMTMXIOC-CQSZACIVSA-N 1 1 257.362 3.278 20 30 CGEDMO CCn1nc(C)c(C[N@H+](C)Cc2cccc(C#N)c2)c1C ZINC000130760450 371056852 /nfs/dbraw/zinc/05/68/52/371056852.db2.gz NSMCIKOUHWEDTG-UHFFFAOYSA-N 1 1 282.391 3.024 20 30 CGEDMO CCn1nc(C)c(C[N@@H+](C)Cc2cccc(C#N)c2)c1C ZINC000130760450 371056854 /nfs/dbraw/zinc/05/68/54/371056854.db2.gz NSMCIKOUHWEDTG-UHFFFAOYSA-N 1 1 282.391 3.024 20 30 CGEDMO COCc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000130759531 371057094 /nfs/dbraw/zinc/05/70/94/371057094.db2.gz BFIMNLKJMGHCLF-UHFFFAOYSA-N 1 1 280.371 3.337 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H](C)c1cc(OC)ccc1OC ZINC000130950267 371071624 /nfs/dbraw/zinc/07/16/24/371071624.db2.gz DPTRQKAEUGNJJB-JTQLQIEISA-N 1 1 255.745 3.107 20 30 CGEDMO C[N@@H+](CCC(C)(C)C#N)Cc1ccc(Cl)nc1 ZINC000131764474 371128923 /nfs/dbraw/zinc/12/89/23/371128923.db2.gz HDHCSXOVUGBLGU-UHFFFAOYSA-N 1 1 251.761 3.107 20 30 CGEDMO COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccc(C#N)o2)c1 ZINC000135132330 371393153 /nfs/dbraw/zinc/39/31/53/371393153.db2.gz MXIKVIMRULOOHG-NSHDSACASA-N 1 1 286.331 3.019 20 30 CGEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000150875618 371544550 /nfs/dbraw/zinc/54/45/50/371544550.db2.gz XAEYOIFGERFBSK-UHFFFAOYSA-N 1 1 291.420 3.236 20 30 CGEDMO C=C(C)CC[N@@H+]1CCn2c(C3CCCC3)nnc2[C@@H]1C ZINC000286733048 371546605 /nfs/dbraw/zinc/54/66/05/371546605.db2.gz BSLHUJJPCROEBX-ZDUSSCGKSA-N 1 1 274.412 3.279 20 30 CGEDMO C=C(C)CC[N@H+]1CCn2c(C3CCCC3)nnc2[C@@H]1C ZINC000286733048 371546612 /nfs/dbraw/zinc/54/66/12/371546612.db2.gz BSLHUJJPCROEBX-ZDUSSCGKSA-N 1 1 274.412 3.279 20 30 CGEDMO COc1ccncc1C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000287405393 371650420 /nfs/dbraw/zinc/65/04/20/371650420.db2.gz SAEQHJMOISQNEP-UHFFFAOYSA-N 1 1 295.386 3.372 20 30 CGEDMO COc1ccncc1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000287405393 371650429 /nfs/dbraw/zinc/65/04/29/371650429.db2.gz SAEQHJMOISQNEP-UHFFFAOYSA-N 1 1 295.386 3.372 20 30 CGEDMO CC(C)C[C@@H]1CCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000153448796 371770322 /nfs/dbraw/zinc/77/03/22/371770322.db2.gz MJROCNGSVFUDRN-HNNXBMFYSA-N 1 1 282.391 3.216 20 30 CGEDMO C[C@H]([NH2+]Cc1ncccc1N(C)C)c1ccc(C#N)c(F)c1 ZINC000289947720 371859356 /nfs/dbraw/zinc/85/93/56/371859356.db2.gz WGUNUSCWKCJEQG-LBPRGKRZSA-N 1 1 298.365 3.009 20 30 CGEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)[C@H]1C=CCCC1 ZINC000344070696 217037778 /nfs/dbraw/zinc/03/77/78/217037778.db2.gz MMRNIQZUNLIZIU-KRWDZBQOSA-N 1 1 270.376 3.115 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000154781831 371878924 /nfs/dbraw/zinc/87/89/24/371878924.db2.gz LPEBAABGVVFAGJ-UHFFFAOYSA-N 1 1 272.304 3.473 20 30 CGEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@H]1CC=CCC1 ZINC000344080711 217042193 /nfs/dbraw/zinc/04/21/93/217042193.db2.gz ZGFMABRNUXXNDR-WMLDXEAASA-N 1 1 298.386 3.060 20 30 CGEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1CC=CCC1 ZINC000344080711 217042194 /nfs/dbraw/zinc/04/21/94/217042194.db2.gz ZGFMABRNUXXNDR-WMLDXEAASA-N 1 1 298.386 3.060 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000155755649 371942310 /nfs/dbraw/zinc/94/23/10/371942310.db2.gz GRBAQAMGPJITCK-HNNXBMFYSA-N 1 1 273.351 3.134 20 30 CGEDMO CC#CCC[N@@H+](C)Cc1csc(Br)c1 ZINC000155217047 371913460 /nfs/dbraw/zinc/91/34/60/371913460.db2.gz HPRHFDZASRAAOF-UHFFFAOYSA-N 1 1 272.211 3.356 20 30 CGEDMO CC#CCC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000156530864 371982251 /nfs/dbraw/zinc/98/22/51/371982251.db2.gz SFWMMYXOOMOQDB-QGZVFWFLSA-N 1 1 299.418 3.076 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000156559800 371984071 /nfs/dbraw/zinc/98/40/71/371984071.db2.gz QKOMBHXCCZAGBA-ZDUSSCGKSA-N 1 1 253.386 3.006 20 30 CGEDMO C[N@@H+](CC[C@H](O)c1ccccc1)Cc1cccc(C#N)c1 ZINC000290467683 371995726 /nfs/dbraw/zinc/99/57/26/371995726.db2.gz WVVLMGZTRQNMOT-SFHVURJKSA-N 1 1 280.371 3.114 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)[C@@H](C)C2CC2)cc1OC ZINC000158071952 372049601 /nfs/dbraw/zinc/04/96/01/372049601.db2.gz PMOXDVLNIQWWEQ-ZDUSSCGKSA-N 1 1 275.392 3.490 20 30 CGEDMO CC[C@H](NCC1([NH3+])CCCCC1)c1ccc(C#N)cc1 ZINC000423174330 372003880 /nfs/dbraw/zinc/00/38/80/372003880.db2.gz AJVGHDFMUUGCSQ-INIZCTEOSA-N 1 1 271.408 3.261 20 30 CGEDMO C=CCC[C@H](CC)[NH2+][C@@H](C)c1noc(COC(C)C)n1 ZINC000290841558 372062397 /nfs/dbraw/zinc/06/23/97/372062397.db2.gz IJPSSCGFSWTQBI-STQMWFEESA-N 1 1 281.400 3.390 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)CCCOCC(F)(F)F ZINC000157237463 372012311 /nfs/dbraw/zinc/01/23/11/372012311.db2.gz YWEXPURXMDJLIK-UHFFFAOYSA-N 1 1 280.334 3.217 20 30 CGEDMO C[C@@H]1CC[C@@](CO)([N@@H+](C)CC#Cc2cccc(Cl)c2)C1 ZINC000425918046 372145188 /nfs/dbraw/zinc/14/51/88/372145188.db2.gz LNUIRCVZMLZGSP-RHSMWYFYSA-N 1 1 291.822 3.174 20 30 CGEDMO C=C(Cl)C[NH+]1CCC([C@H](O)c2ccc(OC)cc2)CC1 ZINC000291604900 372170868 /nfs/dbraw/zinc/17/08/68/372170868.db2.gz BZMPUQJIYNDEEJ-MRXNPFEDSA-N 1 1 295.810 3.193 20 30 CGEDMO CSC[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000292299767 372187090 /nfs/dbraw/zinc/18/70/90/372187090.db2.gz DCYCJRCPDKSRKZ-MRXNPFEDSA-N 1 1 259.418 3.113 20 30 CGEDMO CC[C@]1(C)CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000344274332 217128578 /nfs/dbraw/zinc/12/85/78/217128578.db2.gz WPLQFAGEGGSMBE-QGZVFWFLSA-N 1 1 296.374 3.230 20 30 CGEDMO CCOC1CC2(C1)CC[N@H+](Cc1cccc(F)c1C#N)C2 ZINC000428956177 372290250 /nfs/dbraw/zinc/29/02/50/372290250.db2.gz XMRNKYRWAPNUTQ-UHFFFAOYSA-N 1 1 288.366 3.088 20 30 CGEDMO CCOC1CC2(C1)CC[N@@H+](Cc1cccc(F)c1C#N)C2 ZINC000428956177 372290256 /nfs/dbraw/zinc/29/02/56/372290256.db2.gz XMRNKYRWAPNUTQ-UHFFFAOYSA-N 1 1 288.366 3.088 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000429004688 372302914 /nfs/dbraw/zinc/30/29/14/372302914.db2.gz IYCQMSHCJZPIPW-YKTARERQSA-N 1 1 297.446 3.281 20 30 CGEDMO N#Cc1c(F)cccc1C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000428987852 372299589 /nfs/dbraw/zinc/29/95/89/372299589.db2.gz YNJKQSAWDRULED-SNVBAGLBSA-N 1 1 286.272 3.472 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000428987852 372299594 /nfs/dbraw/zinc/29/95/94/372299594.db2.gz YNJKQSAWDRULED-SNVBAGLBSA-N 1 1 286.272 3.472 20 30 CGEDMO COc1ccccc1C[N@H+](C)Cc1ccc(C#N)s1 ZINC000160422274 372245778 /nfs/dbraw/zinc/24/57/78/372245778.db2.gz FAGMVHKGHLDZIK-UHFFFAOYSA-N 1 1 272.373 3.260 20 30 CGEDMO COc1ccccc1C[N@@H+](C)Cc1ccc(C#N)s1 ZINC000160422274 372245782 /nfs/dbraw/zinc/24/57/82/372245782.db2.gz FAGMVHKGHLDZIK-UHFFFAOYSA-N 1 1 272.373 3.260 20 30 CGEDMO C=CCOCC[N@@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000292940586 372254694 /nfs/dbraw/zinc/25/46/94/372254694.db2.gz ZYNHYUIWPGUXQN-GFCCVEGCSA-N 1 1 276.405 3.492 20 30 CGEDMO C=CCOCC[N@H+](C)[C@H](C)c1nc2ccccc2s1 ZINC000292940586 372254700 /nfs/dbraw/zinc/25/47/00/372254700.db2.gz ZYNHYUIWPGUXQN-GFCCVEGCSA-N 1 1 276.405 3.492 20 30 CGEDMO CCc1ccc([C@@H](CO)[NH2+]Cc2ccc(C#N)cc2F)cc1 ZINC000160786680 372275624 /nfs/dbraw/zinc/27/56/24/372275624.db2.gz GJGXNNAJDJQLGQ-GOSISDBHSA-N 1 1 298.361 3.083 20 30 CGEDMO C#CCCC[N@H+](C)Cc1csc(Br)c1 ZINC000161107350 372302301 /nfs/dbraw/zinc/30/23/01/372302301.db2.gz NTOIWJIETDGJSU-UHFFFAOYSA-N 1 1 272.211 3.356 20 30 CGEDMO N#C[C@@H]1CC[C@H](N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000429689024 372375948 /nfs/dbraw/zinc/37/59/48/372375948.db2.gz CVBLFZUHYMPSCW-SQNIBIBYSA-N 1 1 289.467 3.267 20 30 CGEDMO C[C@H]1CCC[C@H]([NH+]2CCC(NCC3(CC#N)CC3)CC2)C1 ZINC000430766646 372396350 /nfs/dbraw/zinc/39/63/50/372396350.db2.gz XOLVDWBNUHSOTC-RDJZCZTQSA-N 1 1 289.467 3.313 20 30 CGEDMO C=CC[NH+](CC=C)CC(=O)N[C@@H](C)c1ccc(C)c(C)c1 ZINC000052869185 541876985 /nfs/dbraw/zinc/87/69/85/541876985.db2.gz MJTNFRBGTWYRAU-INIZCTEOSA-N 1 1 286.419 3.155 20 30 CGEDMO C[C@@H]1CSCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000162911002 372432684 /nfs/dbraw/zinc/43/26/84/372432684.db2.gz BNCOXSPKAZOGBS-SNVBAGLBSA-N 1 1 266.797 3.149 20 30 CGEDMO C[C@@H]1CSCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000162911002 372432690 /nfs/dbraw/zinc/43/26/90/372432690.db2.gz BNCOXSPKAZOGBS-SNVBAGLBSA-N 1 1 266.797 3.149 20 30 CGEDMO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C/C=C/C)C(=O)OCC ZINC000432905434 372576168 /nfs/dbraw/zinc/57/61/68/372576168.db2.gz KRAJWOLGQTUCFU-MJQBFAJASA-N 1 1 253.386 3.075 20 30 CGEDMO C[C@@H]1CCCC[C@H]1OCC[N@H+](C)CC(C)(C)C#N ZINC000433309782 372588145 /nfs/dbraw/zinc/58/81/45/372588145.db2.gz CXJIVVPMMHBEHE-ZIAGYGMSSA-N 1 1 252.402 3.063 20 30 CGEDMO C[C@@H]1CCCC[C@H]1OCC[N@@H+](C)CC(C)(C)C#N ZINC000433309782 372588150 /nfs/dbraw/zinc/58/81/50/372588150.db2.gz CXJIVVPMMHBEHE-ZIAGYGMSSA-N 1 1 252.402 3.063 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000168920656 372623532 /nfs/dbraw/zinc/62/35/32/372623532.db2.gz HGGYTNPDSPRDNF-UHFFFAOYSA-N 1 1 272.270 3.225 20 30 CGEDMO C[C@@H]([N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1)C(C)(C)O ZINC000295139753 372694438 /nfs/dbraw/zinc/69/44/38/372694438.db2.gz KVBYLBKHRMJNFM-GFCCVEGCSA-N 1 1 299.336 3.148 20 30 CGEDMO CCN(CC)c1ccc(C[N@H+](C)[C@@H](C)CC#N)cc1 ZINC000171760907 372822165 /nfs/dbraw/zinc/82/21/65/372822165.db2.gz FVKFOTFJRCBGJV-AWEZNQCLSA-N 1 1 259.397 3.267 20 30 CGEDMO CCN(CC)c1ccc(C[N@@H+](C)[C@@H](C)CC#N)cc1 ZINC000171760907 372822171 /nfs/dbraw/zinc/82/21/71/372822171.db2.gz FVKFOTFJRCBGJV-AWEZNQCLSA-N 1 1 259.397 3.267 20 30 CGEDMO CC[N@H+](CCC#N)Cc1ccc2nc(C)ccc2c1 ZINC000437584509 372851859 /nfs/dbraw/zinc/85/18/59/372851859.db2.gz SEJKUGJLOWPIEY-UHFFFAOYSA-N 1 1 253.349 3.279 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1ccc2nc(C)ccc2c1 ZINC000437584509 372851868 /nfs/dbraw/zinc/85/18/68/372851868.db2.gz SEJKUGJLOWPIEY-UHFFFAOYSA-N 1 1 253.349 3.279 20 30 CGEDMO C=CCCCCCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000295757037 372899545 /nfs/dbraw/zinc/89/95/45/372899545.db2.gz OWCWWNWFPQPFFO-UHFFFAOYSA-N 1 1 298.390 3.134 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)cc1 ZINC000438371418 372944949 /nfs/dbraw/zinc/94/49/49/372944949.db2.gz FWGJMDGSJAAMKF-KKUMJFAQSA-N 1 1 275.392 3.249 20 30 CGEDMO C=CCCCN(C)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000439204459 372974872 /nfs/dbraw/zinc/97/48/72/372974872.db2.gz ZTCAPLKVEGRVRB-INIZCTEOSA-N 1 1 295.471 3.105 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)CC1(CC(=O)OC)CC1 ZINC000440719545 372993908 /nfs/dbraw/zinc/99/39/08/372993908.db2.gz YIGDUTBAHQCFCM-UHFFFAOYSA-N 1 1 279.405 3.079 20 30 CGEDMO CC(C)c1ncc(C[N@H+](C)Cc2ccc(CC#N)cc2)cn1 ZINC000440471319 372984884 /nfs/dbraw/zinc/98/48/84/372984884.db2.gz HHYIFHWYMCNAQG-UHFFFAOYSA-N 1 1 294.402 3.298 20 30 CGEDMO CC(C)c1ncc(C[N@@H+](C)Cc2ccc(CC#N)cc2)cn1 ZINC000440471319 372984891 /nfs/dbraw/zinc/98/48/91/372984891.db2.gz HHYIFHWYMCNAQG-UHFFFAOYSA-N 1 1 294.402 3.298 20 30 CGEDMO COc1cc(C[N@H+]2CC[C@H](C)C(C)(C)C2)ccc1C#N ZINC000442840332 373101391 /nfs/dbraw/zinc/10/13/91/373101391.db2.gz KZFZQLXJKSQHAL-ZDUSSCGKSA-N 1 1 272.392 3.435 20 30 CGEDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000443337895 373152062 /nfs/dbraw/zinc/15/20/62/373152062.db2.gz WCPLELAZGKVEFM-CPUCHLNUSA-N 1 1 291.822 3.173 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000443642655 373160761 /nfs/dbraw/zinc/16/07/61/373160761.db2.gz SKPVCCAUSDWBFY-LBPRGKRZSA-N 1 1 251.757 3.369 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000443642655 373160765 /nfs/dbraw/zinc/16/07/65/373160765.db2.gz SKPVCCAUSDWBFY-LBPRGKRZSA-N 1 1 251.757 3.369 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)cc1 ZINC000443794384 373161154 /nfs/dbraw/zinc/16/11/54/373161154.db2.gz ZNNDMJFVURKXQO-DAYGRLMNSA-N 1 1 289.419 3.233 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@@H](C(C)C)C2)ccc1C#N ZINC000443070709 373149030 /nfs/dbraw/zinc/14/90/30/373149030.db2.gz OXTLYIUUZYCJAU-MRXNPFEDSA-N 1 1 272.392 3.435 20 30 CGEDMO CCOC(=O)C[N@@H+](CCCCC(C)(C)C#N)C(C)(C)C ZINC000444650904 373221544 /nfs/dbraw/zinc/22/15/44/373221544.db2.gz TXMAPQGFTDTTMU-UHFFFAOYSA-N 1 1 282.428 3.370 20 30 CGEDMO CCN(CC)[C@H](C[NH2+]Cc1ccc(C#N)o1)c1ccccc1 ZINC000174238143 373272286 /nfs/dbraw/zinc/27/22/86/373272286.db2.gz MLLZHVLAKZIKER-GOSISDBHSA-N 1 1 297.402 3.324 20 30 CGEDMO C=CC[N@@H+](CCC)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000444673638 373228899 /nfs/dbraw/zinc/22/88/99/373228899.db2.gz IGWVPJKTNWKCRQ-INIZCTEOSA-N 1 1 275.392 3.059 20 30 CGEDMO C=CC[N@H+](CCC)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000444673638 373228907 /nfs/dbraw/zinc/22/89/07/373228907.db2.gz IGWVPJKTNWKCRQ-INIZCTEOSA-N 1 1 275.392 3.059 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@]1(C)CCCO ZINC000444685958 373235234 /nfs/dbraw/zinc/23/52/34/373235234.db2.gz BMVKGPKMFZRUAG-INIZCTEOSA-N 1 1 266.429 3.333 20 30 CGEDMO CC(C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000444746924 373258366 /nfs/dbraw/zinc/25/83/66/373258366.db2.gz GJUWBLWBAHDHJU-MRXNPFEDSA-N 1 1 299.418 3.255 20 30 CGEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCCC34CCC4)o2)c1 ZINC000444776125 373268934 /nfs/dbraw/zinc/26/89/34/373268934.db2.gz BBCXCOKTQJFTGX-UHFFFAOYSA-N 1 1 294.358 3.127 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)[C@@H](C)c1cnccn1 ZINC000298058736 373290073 /nfs/dbraw/zinc/29/00/73/373290073.db2.gz IOIZSVCJFQTNCZ-HNNXBMFYSA-N 1 1 267.376 3.268 20 30 CGEDMO CC[N@@H+](C[C@H]1CCCO1)[C@H](C)c1ccc(C#N)cc1 ZINC000299074832 373455550 /nfs/dbraw/zinc/45/55/50/373455550.db2.gz QECBOIDPCJJCTR-CZUORRHYSA-N 1 1 258.365 3.120 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@@H](C)[C@H]2C)ccc1C#N ZINC000300115247 373619691 /nfs/dbraw/zinc/61/96/91/373619691.db2.gz DPTBLVKRDZLCJP-CHWSQXEVSA-N 1 1 258.365 3.187 20 30 CGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@H]1C ZINC000068045657 541890070 /nfs/dbraw/zinc/89/00/70/541890070.db2.gz ULZJEANHYDFPCM-WBVHZDCISA-N 1 1 289.419 3.029 20 30 CGEDMO N#Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000301271022 373723378 /nfs/dbraw/zinc/72/33/78/373723378.db2.gz KBCYDEAYNSPILO-KRWDZBQOSA-N 1 1 292.386 3.030 20 30 CGEDMO CC(C)[C@H]1C[N@H+](Cc2nc(C#N)cs2)[C@H]1C(C)C ZINC000449557026 373831931 /nfs/dbraw/zinc/83/19/31/373831931.db2.gz UCWHGGZPTXYYIE-OCCSQVGLSA-N 1 1 263.410 3.127 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](Cc2nc(C#N)cs2)[C@H]1C(C)C ZINC000449557026 373831940 /nfs/dbraw/zinc/83/19/40/373831940.db2.gz UCWHGGZPTXYYIE-OCCSQVGLSA-N 1 1 263.410 3.127 20 30 CGEDMO C=CCC[C@H]([NH2+][C@H]1CCC[C@H]1C1CC1)C(=O)OCC ZINC000449656063 373837499 /nfs/dbraw/zinc/83/74/99/373837499.db2.gz JBUNPAYXXKABAP-KKUMJFAQSA-N 1 1 265.397 3.053 20 30 CGEDMO COc1ccc(C[N@@H+](C)CC(C)(C)CCC#N)c(OC)c1 ZINC000179618090 373896446 /nfs/dbraw/zinc/89/64/46/373896446.db2.gz PXHLDJWSLZXMAW-UHFFFAOYSA-N 1 1 290.407 3.466 20 30 CGEDMO Cc1cc(C[NH2+]Cc2cnc(C3CC3)o2)ccc1C#N ZINC000449708394 373849372 /nfs/dbraw/zinc/84/93/72/373849372.db2.gz VFTWWGULWBSFCL-UHFFFAOYSA-N 1 1 267.332 3.022 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000449862416 373948568 /nfs/dbraw/zinc/94/85/68/373948568.db2.gz XIUHVWILPGRTGF-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CCCC1 ZINC000449816367 373934975 /nfs/dbraw/zinc/93/49/75/373934975.db2.gz WLBMMWHTNMXAGZ-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO COc1ccc([C@H](C)[N@H+](C)CC2(C#N)CCC2)cc1 ZINC000450212061 374000068 /nfs/dbraw/zinc/00/00/68/374000068.db2.gz BRNUAMIBEUBNTQ-ZDUSSCGKSA-N 1 1 258.365 3.382 20 30 CGEDMO COc1ccc([C@H](C)[N@@H+](C)CC2(C#N)CCC2)cc1 ZINC000450212061 374000074 /nfs/dbraw/zinc/00/00/74/374000074.db2.gz BRNUAMIBEUBNTQ-ZDUSSCGKSA-N 1 1 258.365 3.382 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)CC1CCC(=O)CC1 ZINC000450222065 374006394 /nfs/dbraw/zinc/00/63/94/374006394.db2.gz ZEZQDQXBGZNXQM-UHFFFAOYSA-N 1 1 263.406 3.495 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000180934110 374060853 /nfs/dbraw/zinc/06/08/53/374060853.db2.gz JUUANUHJVQRIFY-HOTGVXAUSA-N 1 1 295.471 3.008 20 30 CGEDMO N#CC1(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)CCC1 ZINC000450351567 374074711 /nfs/dbraw/zinc/07/47/11/374074711.db2.gz VLSRAAFDEGHPLR-AWEZNQCLSA-N 1 1 284.359 3.246 20 30 CGEDMO N#CC1(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)CCC1 ZINC000450351567 374074719 /nfs/dbraw/zinc/07/47/19/374074719.db2.gz VLSRAAFDEGHPLR-AWEZNQCLSA-N 1 1 284.359 3.246 20 30 CGEDMO C=CC[N@@H+](Cc1cn(CC2CC2)nn1)CC1CCCCC1 ZINC000450407747 374107779 /nfs/dbraw/zinc/10/77/79/374107779.db2.gz RRPALPBJRATVSK-UHFFFAOYSA-N 1 1 288.439 3.256 20 30 CGEDMO C=CC[N@H+](Cc1cn(CC2CC2)nn1)CC1CCCCC1 ZINC000450407747 374107792 /nfs/dbraw/zinc/10/77/92/374107792.db2.gz RRPALPBJRATVSK-UHFFFAOYSA-N 1 1 288.439 3.256 20 30 CGEDMO C[C@H](C#N)C[N@H+](CCCC(=O)c1ccccc1)C1CC1 ZINC000450621209 374164818 /nfs/dbraw/zinc/16/48/18/374164818.db2.gz ZUCWXRDQVSRGSU-CQSZACIVSA-N 1 1 270.376 3.274 20 30 CGEDMO C[C@H](C#N)C[N@@H+](CCCC(=O)c1ccccc1)C1CC1 ZINC000450621209 374164827 /nfs/dbraw/zinc/16/48/27/374164827.db2.gz ZUCWXRDQVSRGSU-CQSZACIVSA-N 1 1 270.376 3.274 20 30 CGEDMO C=CCN(C)Cc1cc(C[N@@H+](C)CC=C)ccc1F ZINC000450763000 374177599 /nfs/dbraw/zinc/17/75/99/374177599.db2.gz OTMLKWBIZUELLQ-UHFFFAOYSA-N 1 1 262.372 3.061 20 30 CGEDMO Cc1cnc(C[NH2+][C@H](C)c2cccc(C#N)c2)s1 ZINC000181983986 374200941 /nfs/dbraw/zinc/20/09/41/374200941.db2.gz WJGLUABFXWTCJI-LLVKDONJSA-N 1 1 257.362 3.174 20 30 CGEDMO CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000316121570 374333156 /nfs/dbraw/zinc/33/31/56/374333156.db2.gz DHBKJZFQSURVLW-LSDHHAIUSA-N 1 1 299.418 3.397 20 30 CGEDMO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C1CCC(C)(C)CC1 ZINC000316641634 374333787 /nfs/dbraw/zinc/33/37/87/374333787.db2.gz CDQRARBEGVTYDH-UHFFFAOYSA-N 1 1 299.418 3.397 20 30 CGEDMO N#Cc1cnc2ccccc2c1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000317140805 374338673 /nfs/dbraw/zinc/33/86/73/374338673.db2.gz BDCZTDDHPLTBTI-CABCVRRESA-N 1 1 292.386 3.145 20 30 CGEDMO CC(C)(C)[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000317834043 374342004 /nfs/dbraw/zinc/34/20/04/374342004.db2.gz JOTQMKLWFZFQKG-OAHLLOKOSA-N 1 1 299.418 3.255 20 30 CGEDMO CC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)CC(C)(C)C ZINC000314361022 374315548 /nfs/dbraw/zinc/31/55/48/374315548.db2.gz OAMVZIOVUPDCKF-UHFFFAOYSA-N 1 1 287.407 3.255 20 30 CGEDMO C[C@H](C1CCC1)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000325611672 374358558 /nfs/dbraw/zinc/35/85/58/374358558.db2.gz UBDPJQKMGBIOMB-CYBMUJFWSA-N 1 1 258.365 3.057 20 30 CGEDMO CCCc1ncc(C[NH2+][C@@H](C)c2cccc(C#N)c2)o1 ZINC000453382215 374467230 /nfs/dbraw/zinc/46/72/30/374467230.db2.gz LSSNEHSAIBETFO-LBPRGKRZSA-N 1 1 269.348 3.350 20 30 CGEDMO C[C@@H](NCC[C@H](C)[NH+]1CCCCC1)c1ccc(C#N)cc1 ZINC000184507610 374533796 /nfs/dbraw/zinc/53/37/96/374533796.db2.gz YRXNXKJCNODMMK-JKSUJKDBSA-N 1 1 285.435 3.473 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CCC[C@]3(CC=CCC3)C2)n1 ZINC000334150205 374650672 /nfs/dbraw/zinc/65/06/72/374650672.db2.gz IRJIDJGROBFVSP-OAHLLOKOSA-N 1 1 273.405 3.337 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@]3(CC=CCC3)C2)n1 ZINC000334150205 374650676 /nfs/dbraw/zinc/65/06/76/374650676.db2.gz IRJIDJGROBFVSP-OAHLLOKOSA-N 1 1 273.405 3.337 20 30 CGEDMO N#Cc1ccc(C2=CC[N@H+](Cc3ccc(F)cn3)CC2)cc1 ZINC000334537213 374832567 /nfs/dbraw/zinc/83/25/67/374832567.db2.gz YDLBHAOGHHHXDO-UHFFFAOYSA-N 1 1 293.345 3.382 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3ccc(F)cn3)CC2)cc1 ZINC000334537213 374832571 /nfs/dbraw/zinc/83/25/71/374832571.db2.gz YDLBHAOGHHHXDO-UHFFFAOYSA-N 1 1 293.345 3.382 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@@]3(CCCOC3)C2)c1 ZINC000334483462 374788710 /nfs/dbraw/zinc/78/87/10/374788710.db2.gz YIBJSOYLZFAIOV-OAHLLOKOSA-N 1 1 276.405 3.012 20 30 CGEDMO Cc1ccc2c(c1C)OC[C@@H]2[NH2+]Cc1cc(C#N)cs1 ZINC000334484078 374788961 /nfs/dbraw/zinc/78/89/61/374788961.db2.gz ZERKBMRUUKJLSC-HNNXBMFYSA-N 1 1 284.384 3.460 20 30 CGEDMO C=CCC(CC=C)C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000467823957 374977337 /nfs/dbraw/zinc/97/73/37/374977337.db2.gz IIVVZHRRAUDCBR-UHFFFAOYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000470874559 375000404 /nfs/dbraw/zinc/00/04/04/375000404.db2.gz SEDBGJGIWUTNDB-SFHVURJKSA-N 1 1 269.388 3.251 20 30 CGEDMO C[N@@H+](CCc1ccncc1)Cc1ccc(Cl)cc1C#N ZINC000187388882 375014433 /nfs/dbraw/zinc/01/44/33/375014433.db2.gz IUXBVMVBLABJRB-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO CCCC[N@@H+](CCCO)Cc1ccc(Cl)cc1C#N ZINC000187446445 375022023 /nfs/dbraw/zinc/02/20/23/375022023.db2.gz GAOWMMNDEPBBCA-UHFFFAOYSA-N 1 1 280.799 3.196 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@H]1Cc1ccccc1C ZINC000472723539 375032301 /nfs/dbraw/zinc/03/23/01/375032301.db2.gz GDWQGPUDVAETHZ-ROUUACIJSA-N 1 1 273.420 3.329 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](C)CCCOc1cccc(Cl)c1 ZINC000472798692 375035161 /nfs/dbraw/zinc/03/51/61/375035161.db2.gz XKVPJRBBXYAHKO-HNNXBMFYSA-N 1 1 297.826 3.368 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cccnc1 ZINC000187717947 375078816 /nfs/dbraw/zinc/07/88/16/375078816.db2.gz UOYKIDUJWPAKTK-ZDUSSCGKSA-N 1 1 251.333 3.146 20 30 CGEDMO C[C@H]1CCSCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000335073612 375108233 /nfs/dbraw/zinc/10/82/33/375108233.db2.gz SEZOKUGWDBQNSD-ZDUSSCGKSA-N 1 1 260.406 3.080 20 30 CGEDMO CC#CCC[N@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000473153537 375046171 /nfs/dbraw/zinc/04/61/71/375046171.db2.gz VZKUZXIOPKNBBH-UHFFFAOYSA-N 1 1 261.315 3.467 20 30 CGEDMO CC#CCC[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000473153537 375046176 /nfs/dbraw/zinc/04/61/76/375046176.db2.gz VZKUZXIOPKNBBH-UHFFFAOYSA-N 1 1 261.315 3.467 20 30 CGEDMO C=C(C)C[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000475348699 375134010 /nfs/dbraw/zinc/13/40/10/375134010.db2.gz NASPCVGLBYRRQJ-UHFFFAOYSA-N 1 1 278.371 3.441 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(c2ccc(F)cc2C)C1=O ZINC000481299516 375164068 /nfs/dbraw/zinc/16/40/68/375164068.db2.gz FWLJYEAWNXKXAU-MRXNPFEDSA-N 1 1 290.382 3.137 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](c3ccncc3)C2)c1F ZINC000335234530 375251861 /nfs/dbraw/zinc/25/18/61/375251861.db2.gz APJCATMFYCVCCK-MRXNPFEDSA-N 1 1 295.361 3.472 20 30 CGEDMO C=CC[N@H+](CC#Cc1ccccc1)CCc1ccco1 ZINC000484065483 375185535 /nfs/dbraw/zinc/18/55/35/375185535.db2.gz DUKGHPNBBQENSD-UHFFFAOYSA-N 1 1 265.356 3.362 20 30 CGEDMO COCC[N@@H+](CC#Cc1ccccc1)[C@H]1CC[C@H](C)C1 ZINC000484874771 375191288 /nfs/dbraw/zinc/19/12/88/375191288.db2.gz YHBKATKBAPEGLT-WMZOPIPTSA-N 1 1 271.404 3.175 20 30 CGEDMO N#C[C@@H]1CC[C@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000335562048 375330450 /nfs/dbraw/zinc/33/04/50/375330450.db2.gz OIAJSARXQKLQQZ-ZBFHGGJFSA-N 1 1 275.440 3.065 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000496628013 375546358 /nfs/dbraw/zinc/54/63/58/375546358.db2.gz UEXZDEMRHYJFMJ-ZIAGYGMSSA-N 1 1 282.428 3.188 20 30 CGEDMO C[C@@H]1[C@H](C)[N@@H+](CCCCC#N)CCN1C(=O)OC(C)(C)C ZINC000494713614 375491390 /nfs/dbraw/zinc/49/13/90/375491390.db2.gz WUTIAQYIHAKZST-UONOGXRCSA-N 1 1 295.427 3.010 20 30 CGEDMO C[C@H]1CC[C@](CO)([N@@H+](C)CC#Cc2ccc(Cl)cc2)C1 ZINC000495247366 375499194 /nfs/dbraw/zinc/49/91/94/375499194.db2.gz NDPZFKWGBOLRFJ-YOEHRIQHSA-N 1 1 291.822 3.174 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000496197800 375521427 /nfs/dbraw/zinc/52/14/27/375521427.db2.gz QIVIVHDALXWIRQ-KBPBESRZSA-N 1 1 282.428 3.330 20 30 CGEDMO N#Cc1csc(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)n1 ZINC000336012083 375616378 /nfs/dbraw/zinc/61/63/78/375616378.db2.gz XFUJYHJJBWWJDU-LBPRGKRZSA-N 1 1 287.363 3.143 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)n1 ZINC000336012083 375616382 /nfs/dbraw/zinc/61/63/82/375616382.db2.gz XFUJYHJJBWWJDU-LBPRGKRZSA-N 1 1 287.363 3.143 20 30 CGEDMO C[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000336006284 375611978 /nfs/dbraw/zinc/61/19/78/375611978.db2.gz HGZKJIPCOAYEHS-ZUZCIYMTSA-N 1 1 269.373 3.038 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1C[C@H](C)OC[C@H]1CC ZINC000505608932 375659924 /nfs/dbraw/zinc/65/99/24/375659924.db2.gz HUVUOLWKDJDHSJ-GOEBONIOSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1C[C@H](C)OC[C@H]1CC ZINC000505608932 375659929 /nfs/dbraw/zinc/65/99/29/375659929.db2.gz HUVUOLWKDJDHSJ-GOEBONIOSA-N 1 1 275.392 3.251 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1 ZINC000289478709 197367507 /nfs/dbraw/zinc/36/75/07/197367507.db2.gz ICAMXQONDGDTFT-SJORKVTESA-N 1 1 282.387 3.092 20 30 CGEDMO C[C@@H](C1CC1)[N@@H+](Cc1ccc(C#N)c(F)c1)C1CC1 ZINC000191941900 375680542 /nfs/dbraw/zinc/68/05/42/375680542.db2.gz LIIRVCIMHFQHIO-NSHDSACASA-N 1 1 258.340 3.460 20 30 CGEDMO CC(C)([NH2+]Cc1ccc(C#N)c(F)c1)c1nccs1 ZINC000192106821 375697768 /nfs/dbraw/zinc/69/77/68/375697768.db2.gz NLGKGINMJNDXQL-UHFFFAOYSA-N 1 1 275.352 3.179 20 30 CGEDMO CC[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1nccs1 ZINC000192177863 375708229 /nfs/dbraw/zinc/70/82/29/375708229.db2.gz GQSJOHGLIJWTPN-ZDUSSCGKSA-N 1 1 275.352 3.395 20 30 CGEDMO COCc1ccccc1/C=C(/C)C[N@H+](C)C[C@H](C)C#N ZINC000507580614 375716062 /nfs/dbraw/zinc/71/60/62/375716062.db2.gz HBCMQJKHGKQFAY-KQGZCTBQSA-N 1 1 272.392 3.328 20 30 CGEDMO COCc1ccccc1/C=C(/C)C[N@@H+](C)C[C@H](C)C#N ZINC000507580614 375716067 /nfs/dbraw/zinc/71/60/67/375716067.db2.gz HBCMQJKHGKQFAY-KQGZCTBQSA-N 1 1 272.392 3.328 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000508708669 375759100 /nfs/dbraw/zinc/75/91/00/375759100.db2.gz CUMCKLILVYHLGY-HUUCEWRRSA-N 1 1 286.419 3.251 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](CO)c1cccc(Br)c1 ZINC000508991506 375767077 /nfs/dbraw/zinc/76/70/77/375767077.db2.gz RABLOBFWVQNEEH-CQSZACIVSA-N 1 1 298.224 3.381 20 30 CGEDMO FC(F)OC[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000512805500 375799401 /nfs/dbraw/zinc/79/94/01/375799401.db2.gz HOYKSJHELHLURG-CYBMUJFWSA-N 1 1 299.748 3.253 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCN(Cc2ccc(C)s2)C1 ZINC000516513565 375821180 /nfs/dbraw/zinc/82/11/80/375821180.db2.gz ZHOCPFFCGDRWOA-OAHLLOKOSA-N 1 1 278.465 3.386 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCN(Cc2ccc(C)s2)C1 ZINC000516513565 375821188 /nfs/dbraw/zinc/82/11/88/375821188.db2.gz ZHOCPFFCGDRWOA-OAHLLOKOSA-N 1 1 278.465 3.386 20 30 CGEDMO CC(C)[N@@H+](CCC(=O)Nc1ccccc1C#N)CC1CCC1 ZINC000193200970 375839079 /nfs/dbraw/zinc/83/90/79/375839079.db2.gz MEKIBXUFLGQNKV-UHFFFAOYSA-N 1 1 299.418 3.397 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](c2nc(C)no2)C1 ZINC000193316375 375859329 /nfs/dbraw/zinc/85/93/29/375859329.db2.gz AZPVELBZPGULRR-CQSZACIVSA-N 1 1 263.385 3.304 20 30 CGEDMO C=CCCCC[N@@H+]1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000520728345 375870917 /nfs/dbraw/zinc/87/09/17/375870917.db2.gz JGGHGVFTOPUODG-BZUAXINKSA-N 1 1 250.430 3.005 20 30 CGEDMO C=CCCCCN1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000520728345 375870921 /nfs/dbraw/zinc/87/09/21/375870921.db2.gz JGGHGVFTOPUODG-BZUAXINKSA-N 1 1 250.430 3.005 20 30 CGEDMO C=CCCCCN1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000520728345 375870928 /nfs/dbraw/zinc/87/09/28/375870928.db2.gz JGGHGVFTOPUODG-BZUAXINKSA-N 1 1 250.430 3.005 20 30 CGEDMO C=CCCC[N@@H+](C)CCCOc1ccc(F)cc1 ZINC000522775667 375879704 /nfs/dbraw/zinc/87/97/04/375879704.db2.gz SFQLQQJYPDYBGD-UHFFFAOYSA-N 1 1 251.345 3.493 20 30 CGEDMO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528385851 375899374 /nfs/dbraw/zinc/89/93/74/375899374.db2.gz DRVZVYJGZJJNBU-BBWFWOEESA-N 1 1 298.430 3.228 20 30 CGEDMO CC(C)(C)[C@@H]1CCC[N@@H+](C[C@H](O)CC2(C#N)CC2)CC1 ZINC000528384642 375900349 /nfs/dbraw/zinc/90/03/49/375900349.db2.gz SZTUAVJLTOPGMP-HUUCEWRRSA-N 1 1 278.440 3.189 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cc(CO)ccc1F ZINC000528438392 375902551 /nfs/dbraw/zinc/90/25/51/375902551.db2.gz JTNMVLVIBABFTC-UHFFFAOYSA-N 1 1 289.350 3.142 20 30 CGEDMO CC(C)c1cccc2c1CC[N@@H+](C[C@@H](O)CC1(C#N)CC1)C2 ZINC000528469969 375903865 /nfs/dbraw/zinc/90/38/65/375903865.db2.gz KIJPOVGAWCIVTG-INIZCTEOSA-N 1 1 298.430 3.223 20 30 CGEDMO C#CC[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc23)CC1 ZINC000194272635 375975843 /nfs/dbraw/zinc/97/58/43/375975843.db2.gz GJTBORMWJSNETH-UHFFFAOYSA-N 1 1 254.308 3.029 20 30 CGEDMO CC(C)C[N@@H+](CCCC1(C#N)CCOCC1)C(C)C ZINC000337143126 376097917 /nfs/dbraw/zinc/09/79/17/376097917.db2.gz UZFTYXVEBSIZIY-UHFFFAOYSA-N 1 1 266.429 3.453 20 30 CGEDMO CC1(C)CCC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337169218 376111530 /nfs/dbraw/zinc/11/15/30/376111530.db2.gz DNIRDBDYWFCXFC-UHFFFAOYSA-N 1 1 264.413 3.209 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000535758159 376056461 /nfs/dbraw/zinc/05/64/61/376056461.db2.gz APZMTSGBEWBSBM-KRWDZBQOSA-N 1 1 293.370 3.299 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000535758159 376056464 /nfs/dbraw/zinc/05/64/64/376056464.db2.gz APZMTSGBEWBSBM-KRWDZBQOSA-N 1 1 293.370 3.299 20 30 CGEDMO C=CC[N@H+](C[C@@H](O)COc1cccc2ccccc21)C1CC1 ZINC000536743199 376128498 /nfs/dbraw/zinc/12/84/98/376128498.db2.gz RJNGNMZTIXEYSE-QGZVFWFLSA-N 1 1 297.398 3.230 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCOC2(CCCC2)C1 ZINC000539817010 376333425 /nfs/dbraw/zinc/33/34/25/376333425.db2.gz NNKVTIXPZVGNLV-UHFFFAOYSA-N 1 1 287.403 3.396 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCOC2(CCCC2)C1 ZINC000539817010 376333429 /nfs/dbraw/zinc/33/34/29/376333429.db2.gz NNKVTIXPZVGNLV-UHFFFAOYSA-N 1 1 287.403 3.396 20 30 CGEDMO C=C(CC)CN1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000539105240 376295555 /nfs/dbraw/zinc/29/55/55/376295555.db2.gz OWAIHHSKAQUXGJ-MRXNPFEDSA-N 1 1 288.435 3.340 20 30 CGEDMO C=CCC[N@@H+]1CCc2cc(Br)ccc2C1 ZINC000338544222 376417621 /nfs/dbraw/zinc/41/76/21/376417621.db2.gz WYPYKEWWVLNMCI-UHFFFAOYSA-N 1 1 266.182 3.383 20 30 CGEDMO C=CCC[N@H+]1CCc2cc(Br)ccc2C1 ZINC000338544222 376417622 /nfs/dbraw/zinc/41/76/22/376417622.db2.gz WYPYKEWWVLNMCI-UHFFFAOYSA-N 1 1 266.182 3.383 20 30 CGEDMO C=CCCC[C@@H](C)[N@@H+]1CCN(CC(F)F)[C@H](CC)C1 ZINC000540344423 376371042 /nfs/dbraw/zinc/37/10/42/376371042.db2.gz BIGJRSOKJYSWLY-ZIAGYGMSSA-N 1 1 274.399 3.393 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H](C)[C@@H]1C ZINC000227269867 376385762 /nfs/dbraw/zinc/38/57/62/376385762.db2.gz HZZGQQGAAFHHTR-OLZOCXBDSA-N 1 1 258.365 3.187 20 30 CGEDMO C=CCOc1ccccc1C[NH2+][C@@H](CC)c1ccn(C)n1 ZINC000542662344 376564968 /nfs/dbraw/zinc/56/49/68/376564968.db2.gz PPQSRRWZAQDABA-HNNXBMFYSA-N 1 1 285.391 3.226 20 30 CGEDMO CCC(CC)[N@@H+](CCOC)Cc1ccc(C#N)c(OC)c1 ZINC000232854919 376590226 /nfs/dbraw/zinc/59/02/26/376590226.db2.gz VBZMKZFXNCDTEN-UHFFFAOYSA-N 1 1 290.407 3.204 20 30 CGEDMO COCC[N@@H+](CCCCC(C)(C)C#N)CC(C)C ZINC000234653137 376618435 /nfs/dbraw/zinc/61/84/35/376618435.db2.gz CPOQIPNAZMJWPX-UHFFFAOYSA-N 1 1 254.418 3.311 20 30 CGEDMO COC[C@@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000234727907 376620223 /nfs/dbraw/zinc/62/02/23/376620223.db2.gz XNCNFYGLKAPZCP-CQSZACIVSA-N 1 1 252.402 3.065 20 30 CGEDMO COc1cc(C[NH2+][C@@H](C)c2ncc(C)s2)ccc1C#N ZINC000234939694 376624723 /nfs/dbraw/zinc/62/47/23/376624723.db2.gz VYYKNQXVSLNCOX-NSHDSACASA-N 1 1 287.388 3.183 20 30 CGEDMO C[C@@H](CNc1ncc(C#N)cc1Cl)[N@H+]1CCCC[C@H]1C ZINC000339135583 376701640 /nfs/dbraw/zinc/70/16/40/376701640.db2.gz FKFWKYWAZBXQRA-NEPJUHHUSA-N 1 1 292.814 3.281 20 30 CGEDMO CC1(C)C[N@H+](CCCCC#N)C[C@@](C)(C(F)(F)F)O1 ZINC000339458150 376759807 /nfs/dbraw/zinc/75/98/07/376759807.db2.gz WZERKUQLYKGPDC-LBPRGKRZSA-N 1 1 278.318 3.112 20 30 CGEDMO CC1(C)C[N@@H+](CCCCC#N)C[C@@](C)(C(F)(F)F)O1 ZINC000339458150 376759810 /nfs/dbraw/zinc/75/98/10/376759810.db2.gz WZERKUQLYKGPDC-LBPRGKRZSA-N 1 1 278.318 3.112 20 30 CGEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)Nc1cccc(C#N)n1 ZINC000339215293 376737671 /nfs/dbraw/zinc/73/76/71/376737671.db2.gz RUXFUALMHXZIGE-UHFFFAOYSA-N 1 1 294.402 3.276 20 30 CGEDMO CN1CCC[C@@]2(CC[N@H+](CCCCC(C)(C)C#N)C2)C1 ZINC000339432133 376755313 /nfs/dbraw/zinc/75/53/13/376755313.db2.gz CJWOHWCEVCUUHP-QGZVFWFLSA-N 1 1 277.456 3.124 20 30 CGEDMO CN1CCC[C@@]2(CC[N@@H+](CCCCC(C)(C)C#N)C2)C1 ZINC000339432133 376755321 /nfs/dbraw/zinc/75/53/21/376755321.db2.gz CJWOHWCEVCUUHP-QGZVFWFLSA-N 1 1 277.456 3.124 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](CC3CC3)C2)c(F)c1 ZINC000339672368 376797787 /nfs/dbraw/zinc/79/77/87/376797787.db2.gz ANWMWVSKKHPKBJ-CQSZACIVSA-N 1 1 258.340 3.319 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](CC3CC3)C2)c(F)c1 ZINC000339672366 376797844 /nfs/dbraw/zinc/79/78/44/376797844.db2.gz ANWMWVSKKHPKBJ-AWEZNQCLSA-N 1 1 258.340 3.319 20 30 CGEDMO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCCC(C)(C)C#N ZINC000245408957 376808312 /nfs/dbraw/zinc/80/83/12/376808312.db2.gz JWQKHSIJACUMLR-KKUMJFAQSA-N 1 1 292.423 3.122 20 30 CGEDMO CC#CC[N@H+](Cc1ccc(OC)cc1OC)[C@@H](C)C1CC1 ZINC000554860775 376852798 /nfs/dbraw/zinc/85/27/98/376852798.db2.gz OMCUFGYHZNJQQZ-AWEZNQCLSA-N 1 1 287.403 3.328 20 30 CGEDMO Cc1ccc([C@@H]2CC[N@H+]([C@H]3CC[C@@H](C#N)C3)C2)cc1 ZINC000555422922 376856211 /nfs/dbraw/zinc/85/62/11/376856211.db2.gz NXDZQNYKZZAIIT-OIISXLGYSA-N 1 1 254.377 3.477 20 30 CGEDMO C[C@@H]1CCC[C@H](C)[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000558601871 377023130 /nfs/dbraw/zinc/02/31/30/377023130.db2.gz QLIYUBCXRRLNJX-CABCVRRESA-N 1 1 272.392 3.448 20 30 CGEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000246693928 377072529 /nfs/dbraw/zinc/07/25/29/377072529.db2.gz YUPNCZDNPRPGRL-HLLBOEOZSA-N 1 1 289.419 3.028 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000246747895 377080859 /nfs/dbraw/zinc/08/08/59/377080859.db2.gz PNAVAZZYYKEMFV-FUHWJXTLSA-N 1 1 298.430 3.489 20 30 CGEDMO N#Cc1ccccc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246815027 377094646 /nfs/dbraw/zinc/09/46/46/377094646.db2.gz NLJQRILGQRGQOP-PKOBYXMFSA-N 1 1 295.430 3.007 20 30 CGEDMO C=CCOc1ccccc1CN[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000248151065 377271428 /nfs/dbraw/zinc/27/14/28/377271428.db2.gz QTSXYPRWUFRFSS-DOTOQJQBSA-N 1 1 288.435 3.071 20 30 CGEDMO C#CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000248742944 377394925 /nfs/dbraw/zinc/39/49/25/377394925.db2.gz ALTDIPCUSNCUAG-REPLKXPHSA-N 1 1 282.431 3.185 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000248544587 377343635 /nfs/dbraw/zinc/34/36/35/377343635.db2.gz DQLRLDCOVINDOC-XJKSGUPXSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000248544587 377343641 /nfs/dbraw/zinc/34/36/41/377343641.db2.gz DQLRLDCOVINDOC-XJKSGUPXSA-N 1 1 290.794 3.213 20 30 CGEDMO CC[C@@]1(C)C[N@H+]([C@H](C)c2ccc(C#N)cc2)CCO1 ZINC000248878819 377418696 /nfs/dbraw/zinc/41/86/96/377418696.db2.gz CUJPONNHAJSFOM-CJNGLKHVSA-N 1 1 258.365 3.120 20 30 CGEDMO C=CC[N@H+](CCc1ccncc1C)Cc1cccc(C#N)c1 ZINC000563884104 377474500 /nfs/dbraw/zinc/47/45/00/377474500.db2.gz BAPNGBLNESYWRT-UHFFFAOYSA-N 1 1 291.398 3.492 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC000569992211 377532917 /nfs/dbraw/zinc/53/29/17/377532917.db2.gz JCBXYZMLYOANMZ-MRXNPFEDSA-N 1 1 253.430 3.463 20 30 CGEDMO CCC[C@]1(COC)CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000572207356 377547984 /nfs/dbraw/zinc/54/79/84/377547984.db2.gz GDBMFGTZYRGREV-GOSISDBHSA-N 1 1 289.394 3.458 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000573411530 377556327 /nfs/dbraw/zinc/55/63/27/377556327.db2.gz RZBDFAFEKZGRPO-CABCVRRESA-N 1 1 267.413 3.001 20 30 CGEDMO C[N@H+]1CCN(Cc2ccc(C#N)cc2)CC12CCCCC2 ZINC000514735372 249188046 /nfs/dbraw/zinc/18/80/46/249188046.db2.gz CPQSKPIHENEQII-UHFFFAOYSA-N 1 1 283.419 3.009 20 30 CGEDMO CN1CC[N@H+](Cc2ccc(C#N)cc2)CC12CCCCC2 ZINC000514735372 249188048 /nfs/dbraw/zinc/18/80/48/249188048.db2.gz CPQSKPIHENEQII-UHFFFAOYSA-N 1 1 283.419 3.009 20 30 CGEDMO CN1CC[N@@H+](Cc2ccc(C#N)cc2)CC12CCCCC2 ZINC000514735372 249188050 /nfs/dbraw/zinc/18/80/50/249188050.db2.gz CPQSKPIHENEQII-UHFFFAOYSA-N 1 1 283.419 3.009 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCC[C@@H]1O ZINC000517274172 249262851 /nfs/dbraw/zinc/26/28/51/249262851.db2.gz ZLKZMXLPJLKZGS-MSOLQXFVSA-N 1 1 286.419 3.321 20 30 CGEDMO CC[C@H](C)C[N@@H+](CC)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000251658325 377593697 /nfs/dbraw/zinc/59/36/97/377593697.db2.gz BORTWEBTDIHPII-UONOGXRCSA-N 1 1 287.407 3.253 20 30 CGEDMO C=CC[N@@H+](Cc1cn(C)nc1CC)Cc1ccc(OC)cc1 ZINC000179802181 542203340 /nfs/dbraw/zinc/20/33/40/542203340.db2.gz HJNQSEMLNPRXQA-UHFFFAOYSA-N 1 1 299.418 3.179 20 30 CGEDMO C=CC[N@H+](Cc1cn(C)nc1CC)Cc1ccc(OC)cc1 ZINC000179802181 542203345 /nfs/dbraw/zinc/20/33/45/542203345.db2.gz HJNQSEMLNPRXQA-UHFFFAOYSA-N 1 1 299.418 3.179 20 30 CGEDMO C=C(C)C[N@@H+](CCn1cc(C)cn1)Cc1ccccc1 ZINC000342138133 377631831 /nfs/dbraw/zinc/63/18/31/377631831.db2.gz SQFFKVALDJQPTP-UHFFFAOYSA-N 1 1 269.392 3.270 20 30 CGEDMO CCCC[N@@H+](C)C[C@H](C)Nc1cccc(F)c1C#N ZINC000574477841 377669257 /nfs/dbraw/zinc/66/92/57/377669257.db2.gz QFRLNQMANPZPJS-LBPRGKRZSA-N 1 1 263.360 3.230 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000342765319 377778050 /nfs/dbraw/zinc/77/80/50/377778050.db2.gz NACNICPEZXOXQB-LLVKDONJSA-N 1 1 266.772 3.175 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)N(CC)[C@@H](C)c1ccc(F)cc1 ZINC000342718036 377754082 /nfs/dbraw/zinc/75/40/82/377754082.db2.gz HGXKGQZOUNQYRD-AWEZNQCLSA-N 1 1 292.398 3.243 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H]2C2CCC2)c1 ZINC000343014283 377881537 /nfs/dbraw/zinc/88/15/37/377881537.db2.gz HIFOYCDRAPZVQX-INIZCTEOSA-N 1 1 258.340 3.462 20 30 CGEDMO C=CC[C@H]1[N@H+](Cc2cnc(N)s2)CCCC1(C)C ZINC000262048341 377882888 /nfs/dbraw/zinc/88/28/88/377882888.db2.gz PYWRXPPSEUZKID-GFCCVEGCSA-N 1 1 265.426 3.292 20 30 CGEDMO Cc1nc(-c2ccc(C[NH2+]Cc3ccc(C#N)o3)o2)cs1 ZINC000343072022 377892823 /nfs/dbraw/zinc/89/28/23/377892823.db2.gz SCZPAVCAEBVDME-UHFFFAOYSA-N 1 1 299.355 3.466 20 30 CGEDMO C=CCCC(=O)N1c2ccc(C)cc2[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000263682513 377949889 /nfs/dbraw/zinc/94/98/89/377949889.db2.gz PCEKIMLYDQETEK-DOTOQJQBSA-N 1 1 284.403 3.096 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](C)CC[C@@H]2CCCO2)c1 ZINC000343459369 377985955 /nfs/dbraw/zinc/98/59/55/377985955.db2.gz DCFAQKCVMZZZLG-INIZCTEOSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CCCC[C@@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC000343493446 377994882 /nfs/dbraw/zinc/99/48/82/377994882.db2.gz PFMIHXKDWRGTED-CQSZACIVSA-N 1 1 277.412 3.258 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266968359 378029063 /nfs/dbraw/zinc/02/90/63/378029063.db2.gz YULJIZGPYWYBFV-XJKSGUPXSA-N 1 1 280.375 3.222 20 30 CGEDMO C=C(C)CN(Cc1ccc(CO)o1)c1cccc(C)[nH+]1 ZINC000343597891 378033903 /nfs/dbraw/zinc/03/39/03/378033903.db2.gz BGGIDKHDRBFZEL-UHFFFAOYSA-N 1 1 272.348 3.058 20 30 CGEDMO Cc1ccc(C[N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)s1 ZINC000268640043 378083795 /nfs/dbraw/zinc/08/37/95/378083795.db2.gz DGAHMKQUUFWGJM-INIZCTEOSA-N 1 1 286.400 3.094 20 30 CGEDMO COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cn1 ZINC000267922379 378046842 /nfs/dbraw/zinc/04/68/42/378046842.db2.gz JBVFFLHJTPQZJM-UHFFFAOYSA-N 1 1 293.370 3.126 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000268632166 378084503 /nfs/dbraw/zinc/08/45/03/378084503.db2.gz KQSIWTJTIPPWEZ-DOMZBBRYSA-N 1 1 251.345 3.146 20 30 CGEDMO CCCOc1ccc(OCC[N@H+](C)[C@H](C)CC#N)cc1 ZINC000268286570 378051687 /nfs/dbraw/zinc/05/16/87/378051687.db2.gz HRISVKOMTIHBMZ-CQSZACIVSA-N 1 1 276.380 3.088 20 30 CGEDMO CCCOc1ccc(OCC[N@@H+](C)[C@H](C)CC#N)cc1 ZINC000268286570 378051692 /nfs/dbraw/zinc/05/16/92/378051692.db2.gz HRISVKOMTIHBMZ-CQSZACIVSA-N 1 1 276.380 3.088 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](CCCCOC)Cc1ccccc1 ZINC000268530153 378071417 /nfs/dbraw/zinc/07/14/17/378071417.db2.gz IJXYLLPTINEGRH-GOSISDBHSA-N 1 1 291.435 3.242 20 30 CGEDMO C=CCCC[C@H](C)N1CCC2(CCC[N@H+]2C)CC1 ZINC000343720061 378075485 /nfs/dbraw/zinc/07/54/85/378075485.db2.gz AAPNJOHOTSCLCY-HNNXBMFYSA-N 1 1 250.430 3.291 20 30 CGEDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000268619311 378081781 /nfs/dbraw/zinc/08/17/81/378081781.db2.gz NGULIHPIWNGFLA-FZKQIMNGSA-N 1 1 298.361 3.424 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCC[C@H]1C ZINC000579727337 378188251 /nfs/dbraw/zinc/18/82/51/378188251.db2.gz GLJUENBOLHDYCG-IUODEOHRSA-N 1 1 278.421 3.257 20 30 CGEDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccc(C#N)cn1 ZINC000579909451 378206835 /nfs/dbraw/zinc/20/68/35/378206835.db2.gz KSCJQBFVHXHDCK-XNRPHZJLSA-N 1 1 255.365 3.106 20 30 CGEDMO Cc1cccc(C)c1NC(=O)CCC[N@H+](C)C[C@@H](C)C#N ZINC000268929800 378155653 /nfs/dbraw/zinc/15/56/53/378155653.db2.gz XVUHAAYUIOZCJX-ZDUSSCGKSA-N 1 1 287.407 3.114 20 30 CGEDMO Cc1cc([C@H]2CCC[N@H+]2CCOc2ccccc2C#N)on1 ZINC000345202563 378222132 /nfs/dbraw/zinc/22/21/32/378222132.db2.gz BLUROYXBKFRGSN-OAHLLOKOSA-N 1 1 297.358 3.071 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000269617378 378242530 /nfs/dbraw/zinc/24/25/30/378242530.db2.gz CXZYGIKFGVJTLS-HZPDHXFCSA-N 1 1 263.356 3.290 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000583286069 378318037 /nfs/dbraw/zinc/31/80/37/378318037.db2.gz BJJOSQHKQSVSFS-FRRDWIJNSA-N 1 1 279.346 3.366 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000583991898 378363730 /nfs/dbraw/zinc/36/37/30/378363730.db2.gz CDFJVCXXJBLJNZ-SFHVURJKSA-N 1 1 278.355 3.212 20 30 CGEDMO COc1cc(C)[nH+]c(CN(CCC#N)CCC(C)C)c1 ZINC000270321430 378334809 /nfs/dbraw/zinc/33/48/09/378334809.db2.gz RHHBLRDADLYIFD-UHFFFAOYSA-N 1 1 275.396 3.160 20 30 CGEDMO C=CCCCCCNC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000584419766 378383935 /nfs/dbraw/zinc/38/39/35/378383935.db2.gz PJWLMBPNWWLIKT-HZPDHXFCSA-N 1 1 295.471 3.105 20 30 CGEDMO CC[N@@H+](Cc1ccn(C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000271098664 378452156 /nfs/dbraw/zinc/45/21/56/378452156.db2.gz ODVNENUNVRCPOA-AWEZNQCLSA-N 1 1 267.376 3.480 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000270976028 378420545 /nfs/dbraw/zinc/42/05/45/378420545.db2.gz BLLUUPIQHLVFRL-KGLIPLIRSA-N 1 1 263.406 3.049 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(F)cn1)c1ccc(C#N)c(F)c1 ZINC000346173268 378489748 /nfs/dbraw/zinc/48/97/48/378489748.db2.gz JBBUVYBACCIDIR-JTQLQIEISA-N 1 1 273.286 3.082 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)CC(C)(C)C1 ZINC000346320317 378542350 /nfs/dbraw/zinc/54/23/50/378542350.db2.gz GCVPJYFFFULONO-ZDUSSCGKSA-N 1 1 282.391 3.074 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1C ZINC000272265683 378599417 /nfs/dbraw/zinc/59/94/17/378599417.db2.gz KSIHBRFBXIZPOY-OKILXGFUSA-N 1 1 294.402 3.047 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2)cc1 ZINC000346963964 378698142 /nfs/dbraw/zinc/69/81/42/378698142.db2.gz AXPULMQPUYZJRN-GOSISDBHSA-N 1 1 277.371 3.485 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000346965630 378700130 /nfs/dbraw/zinc/70/01/30/378700130.db2.gz QXYWWOZDJNHQFE-MRXNPFEDSA-N 1 1 290.382 3.219 20 30 CGEDMO C[C@H](NCC(C)(C)C#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348223537 378847449 /nfs/dbraw/zinc/84/74/49/378847449.db2.gz TXMQGWXTLQRRHY-DOTOQJQBSA-N 1 1 285.435 3.036 20 30 CGEDMO CC[C@H](CC#N)[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000348252940 378866577 /nfs/dbraw/zinc/86/65/77/378866577.db2.gz FTFYMPLXPIMESY-VSQXVHSFSA-N 1 1 250.292 3.260 20 30 CGEDMO C=C(C)CC[N@@H+](C)Cc1nc([C@H](C)OCC(C)C)no1 ZINC000274790891 378896841 /nfs/dbraw/zinc/89/68/41/378896841.db2.gz NZUAFJPQBANASE-ZDUSSCGKSA-N 1 1 281.400 3.201 20 30 CGEDMO C=C(C)CC[N@H+](C)Cc1nc([C@H](C)OCC(C)C)no1 ZINC000274790891 378896847 /nfs/dbraw/zinc/89/68/47/378896847.db2.gz NZUAFJPQBANASE-ZDUSSCGKSA-N 1 1 281.400 3.201 20 30 CGEDMO C=C(C)CN1CCC([NH2+][C@H](C)c2ccc(Cl)cn2)CC1 ZINC000274826479 378903517 /nfs/dbraw/zinc/90/35/17/378903517.db2.gz CGPIYGCTROUTTB-CYBMUJFWSA-N 1 1 293.842 3.426 20 30 CGEDMO C=CC[N@H+](CCCc1nc(C)no1)Cc1cccs1 ZINC000348271987 378878123 /nfs/dbraw/zinc/87/81/23/378878123.db2.gz AWLQCUHAHGRSSP-UHFFFAOYSA-N 1 1 277.393 3.060 20 30 CGEDMO C=CC[N@H+](C)Cc1cnc2c(C)cc(Br)cn12 ZINC000275131267 378941672 /nfs/dbraw/zinc/94/16/72/378941672.db2.gz KSNVMKPDGAZDDJ-UHFFFAOYSA-N 1 1 294.196 3.023 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000346972203 218073936 /nfs/dbraw/zinc/07/39/36/218073936.db2.gz HFEBDEXBRISUBJ-QGZVFWFLSA-N 1 1 293.370 3.299 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000346972203 218073937 /nfs/dbraw/zinc/07/39/37/218073937.db2.gz HFEBDEXBRISUBJ-QGZVFWFLSA-N 1 1 293.370 3.299 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000275112833 378938612 /nfs/dbraw/zinc/93/86/12/378938612.db2.gz WQOKJXDQKOOQRI-CJNGLKHVSA-N 1 1 258.365 3.120 20 30 CGEDMO C=C(C)[C@@H]([NH2+]Cc1cncnc1)c1ccc(F)c(F)c1 ZINC000187369125 542244786 /nfs/dbraw/zinc/24/47/86/542244786.db2.gz LLPWMDKDYWQPQN-OAHLLOKOSA-N 1 1 275.302 3.162 20 30 CGEDMO C[C@@H](CO)[N@@H+](Cc1ccc(C#N)cc1Cl)C1CCCC1 ZINC000347177994 218146124 /nfs/dbraw/zinc/14/61/24/218146124.db2.gz XRGXEHBLIHFDMK-LBPRGKRZSA-N 1 1 292.810 3.337 20 30 CGEDMO C[C@H](CO)[N@@H+](Cc1ccc(C#N)cc1Cl)C1CCCC1 ZINC000347177990 218147440 /nfs/dbraw/zinc/14/74/40/218147440.db2.gz XRGXEHBLIHFDMK-GFCCVEGCSA-N 1 1 292.810 3.337 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1[C@H](c1nnc[nH]1)C1CCCCC1 ZINC000639111898 379036212 /nfs/dbraw/zinc/03/62/12/379036212.db2.gz KQIINMAMSNSBQY-CABCVRRESA-N 1 1 274.412 3.467 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1[C@H](c1nnc[nH]1)C1CCCCC1 ZINC000639111898 379036219 /nfs/dbraw/zinc/03/62/19/379036219.db2.gz KQIINMAMSNSBQY-CABCVRRESA-N 1 1 274.412 3.467 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCCCC[C@H]1C ZINC000347268701 218174657 /nfs/dbraw/zinc/17/46/57/218174657.db2.gz UPUPURZROIDYHH-CYBMUJFWSA-N 1 1 258.365 3.331 20 30 CGEDMO CC[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000347350938 218201966 /nfs/dbraw/zinc/20/19/66/218201966.db2.gz QTSOUKAWUQOFQF-IBGZPJMESA-N 1 1 294.398 3.331 20 30 CGEDMO N#CCCCC[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000371496201 379164996 /nfs/dbraw/zinc/16/49/96/379164996.db2.gz YFLBQKQPKXTNOL-UHFFFAOYSA-N 1 1 289.398 3.027 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@@H](CC(F)(F)F)C2)ccc1F ZINC000278893424 194200252 /nfs/dbraw/zinc/20/02/52/194200252.db2.gz URNOKXGJJAEZMI-NSHDSACASA-N 1 1 286.272 3.472 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000639348428 379303383 /nfs/dbraw/zinc/30/33/83/379303383.db2.gz PBWBPYJLTRDVTP-IRXDYDNUSA-N 1 1 270.420 3.411 20 30 CGEDMO N#C[C@H]1CC[C@H]([NH2+]Cc2coc(-c3ccccc3)n2)C1 ZINC000349800266 379390528 /nfs/dbraw/zinc/39/05/28/379390528.db2.gz JAKSKNRNXSEXJF-JSGCOSHPSA-N 1 1 267.332 3.123 20 30 CGEDMO C[C@@H](O)CC[N@@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000266721554 190276977 /nfs/dbraw/zinc/27/69/77/190276977.db2.gz HPVLSAVMRQPEBF-OAHLLOKOSA-N 1 1 294.398 3.428 20 30 CGEDMO C=CCc1cc(C[N@@H+](CC=C)C2CC2)cc(OC)c1O ZINC000350270681 379533046 /nfs/dbraw/zinc/53/30/46/379533046.db2.gz TVZRBJAWAJORRZ-UHFFFAOYSA-N 1 1 273.376 3.280 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639790716 379586370 /nfs/dbraw/zinc/58/63/70/379586370.db2.gz DWVFAINOXODAEQ-HOCLYGCPSA-N 1 1 279.387 3.221 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1nnc(-c2ccc(C)cc2)o1 ZINC000351106588 379645246 /nfs/dbraw/zinc/64/52/46/379645246.db2.gz XJGMUJJSLHFERP-UHFFFAOYSA-N 1 1 257.337 3.053 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1nnc(-c2ccc(C)cc2)o1 ZINC000351106588 379645256 /nfs/dbraw/zinc/64/52/56/379645256.db2.gz XJGMUJJSLHFERP-UHFFFAOYSA-N 1 1 257.337 3.053 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](C1CC1)C1CCC(C)CC1 ZINC000351618144 379731142 /nfs/dbraw/zinc/73/11/42/379731142.db2.gz GXUMWJGLVSIESN-ZBCRRDGASA-N 1 1 251.414 3.357 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)Cc1ccccc1SC ZINC000280582968 379739229 /nfs/dbraw/zinc/73/92/29/379739229.db2.gz WERVFRXFVORFNJ-CQSZACIVSA-N 1 1 265.422 3.167 20 30 CGEDMO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000280908932 379809034 /nfs/dbraw/zinc/80/90/34/379809034.db2.gz RVTWQLMLNYTBED-OZVIIMIRSA-N 1 1 279.355 3.163 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000395393103 379921633 /nfs/dbraw/zinc/92/16/33/379921633.db2.gz QATSIJOFXXFLLN-CQSZACIVSA-N 1 1 266.429 3.189 20 30 CGEDMO C=CCCCn1cc(C[NH2+][C@@H]2CCc3ccccc32)nn1 ZINC000640936026 379877006 /nfs/dbraw/zinc/87/70/06/379877006.db2.gz NFAZGMYFHCBARJ-QGZVFWFLSA-N 1 1 282.391 3.021 20 30 CGEDMO CC(C)O[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000404671275 379982770 /nfs/dbraw/zinc/98/27/70/379982770.db2.gz BOZHDMBJBGZOQZ-OAHLLOKOSA-N 1 1 276.355 3.087 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]Cc1cc(OC)ns1 ZINC000399135718 379935061 /nfs/dbraw/zinc/93/50/61/379935061.db2.gz WKXZNEQCMQKXJK-UHFFFAOYSA-N 1 1 290.388 3.006 20 30 CGEDMO C=CCOc1ccc(C[NH2+]Cc2ccc(C#N)o2)cc1 ZINC000352912462 380033795 /nfs/dbraw/zinc/03/37/95/380033795.db2.gz DIDNMRPUMVNBMO-UHFFFAOYSA-N 1 1 268.316 3.006 20 30 CGEDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000352884952 380019125 /nfs/dbraw/zinc/01/91/25/380019125.db2.gz BXJUKZBSPOXVON-ZDUSSCGKSA-N 1 1 298.361 3.466 20 30 CGEDMO COC(=O)[C@H](C)C[N@@H+](CCC1(C#N)CCCCC1)C1CC1 ZINC000411216652 380136359 /nfs/dbraw/zinc/13/63/59/380136359.db2.gz KBEOKGBUWCMSSH-CQSZACIVSA-N 1 1 292.423 3.124 20 30 CGEDMO N#CC1(CC[N@H+](CCO)Cc2ccccc2)CCCCC1 ZINC000411231530 380137343 /nfs/dbraw/zinc/13/73/43/380137343.db2.gz YDTPOWSSQOYSAX-UHFFFAOYSA-N 1 1 286.419 3.345 20 30 CGEDMO CCOc1ccc2c(c1)CC[N@@H+]([C@@H](C)CCC#N)C2 ZINC000411393617 380141683 /nfs/dbraw/zinc/14/16/83/380141683.db2.gz VXYLOMZAIWJLFP-ZDUSSCGKSA-N 1 1 258.365 3.136 20 30 CGEDMO CC(C)(O)[C@H]1CCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411401506 380144554 /nfs/dbraw/zinc/14/45/54/380144554.db2.gz QTPXMBUJMYFDFL-CQSZACIVSA-N 1 1 264.413 3.086 20 30 CGEDMO C[NH+](C)[C@@H]1CCC[C@H](N[C@H]2CCc3ccc(C#N)cc32)C1 ZINC000353268315 380199683 /nfs/dbraw/zinc/19/96/83/380199683.db2.gz REZNSAUSJSRTPL-JZXOWHBKSA-N 1 1 283.419 3.008 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000268283800 190392721 /nfs/dbraw/zinc/39/27/21/190392721.db2.gz QATPNHRRYZNWIN-DLBZAZTESA-N 1 1 296.370 3.239 20 30 CGEDMO C[N@H+](Cc1ccc2c(c1)COC(C)(C)O2)CC(C)(C)C#N ZINC000354018556 380282058 /nfs/dbraw/zinc/28/20/58/380282058.db2.gz QOAIOBWKWBFGFR-UHFFFAOYSA-N 1 1 288.391 3.313 20 30 CGEDMO C[N@@H+](Cc1ccc2c(c1)COC(C)(C)O2)CC(C)(C)C#N ZINC000354018556 380282061 /nfs/dbraw/zinc/28/20/61/380282061.db2.gz QOAIOBWKWBFGFR-UHFFFAOYSA-N 1 1 288.391 3.313 20 30 CGEDMO C[N@@H+](CCCc1ccccc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000268587814 190413541 /nfs/dbraw/zinc/41/35/41/190413541.db2.gz FCPSISCXASMXNO-IBGZPJMESA-N 1 1 294.398 3.156 20 30 CGEDMO CC1(C)C[N@@H+](Cc2cnc3ccc(C#N)cn23)[C@@H]2CCC[C@H]21 ZINC000354581526 380493190 /nfs/dbraw/zinc/49/31/90/380493190.db2.gz QAHLYMVSXDKENM-HZPDHXFCSA-N 1 1 294.402 3.216 20 30 CGEDMO C=CCOCC[N@H+](Cc1ccc(CC)cc1)C1CC1 ZINC000645076373 380573065 /nfs/dbraw/zinc/57/30/65/380573065.db2.gz IWNUAJJLOBWYOH-UHFFFAOYSA-N 1 1 259.393 3.416 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@H](C)[C@H]2C)cc1OC ZINC000355131499 380590748 /nfs/dbraw/zinc/59/07/48/380590748.db2.gz IOOJYZVGGJIWFH-UONOGXRCSA-N 1 1 275.392 3.490 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)CCOCC1CCC1 ZINC000419211279 380780334 /nfs/dbraw/zinc/78/03/34/380780334.db2.gz WUXAKUKHVPVHII-UHFFFAOYSA-N 1 1 252.402 3.065 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)CCOCC1CCC1 ZINC000419211279 380780337 /nfs/dbraw/zinc/78/03/37/380780337.db2.gz WUXAKUKHVPVHII-UHFFFAOYSA-N 1 1 252.402 3.065 20 30 CGEDMO COc1ccccc1C1([NH2+]CC#Cc2ccc(F)cc2)CC1 ZINC000646001259 380796055 /nfs/dbraw/zinc/79/60/55/380796055.db2.gz PVSFDSHGVKEDDX-UHFFFAOYSA-N 1 1 295.357 3.465 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000356308878 380796561 /nfs/dbraw/zinc/79/65/61/380796561.db2.gz VCBDWXLBFRHADF-UHFFFAOYSA-N 1 1 272.270 3.050 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000419368992 380817934 /nfs/dbraw/zinc/81/79/34/380817934.db2.gz GPUBZGYARODQKH-XQQFMLRXSA-N 1 1 258.365 3.043 20 30 CGEDMO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1CC1(C#N)CCC1 ZINC000420936324 380863328 /nfs/dbraw/zinc/86/33/28/380863328.db2.gz ZHFUIPULLAMEEP-ZIAGYGMSSA-N 1 1 292.423 3.122 20 30 CGEDMO C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1CC1(C#N)CCC1 ZINC000420936324 380863341 /nfs/dbraw/zinc/86/33/41/380863341.db2.gz ZHFUIPULLAMEEP-ZIAGYGMSSA-N 1 1 292.423 3.122 20 30 CGEDMO C[C@H]1C[C@H](Nc2cccnc2C#N)C[N@H+]1Cc1ccccc1 ZINC000357533057 381199149 /nfs/dbraw/zinc/19/91/49/381199149.db2.gz PKYVOFYHWBCELL-HOCLYGCPSA-N 1 1 292.386 3.028 20 30 CGEDMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000357716876 381264094 /nfs/dbraw/zinc/26/40/94/381264094.db2.gz PEMKIXRWZYSIHH-UONOGXRCSA-N 1 1 267.376 3.431 20 30 CGEDMO C=C(CC)C[N@H+](C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000358509845 381313633 /nfs/dbraw/zinc/31/36/33/381313633.db2.gz NTMSURTWXWJIQE-UHFFFAOYSA-N 1 1 274.408 3.448 20 30 CGEDMO C=C(CC)C[N@@H+](C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000358509845 381313638 /nfs/dbraw/zinc/31/36/38/381313638.db2.gz NTMSURTWXWJIQE-UHFFFAOYSA-N 1 1 274.408 3.448 20 30 CGEDMO COc1ccc2c(c1)C[C@H](C)[N@@H+](CC1(C#N)CC1)[C@H]2C ZINC000359643335 381358579 /nfs/dbraw/zinc/35/85/79/381358579.db2.gz ZFTUXXTUGYXSTR-STQMWFEESA-N 1 1 270.376 3.307 20 30 CGEDMO COc1ccc2c(c1)C[C@H](C)[N@H+](CC1(C#N)CC1)[C@H]2C ZINC000359643335 381358586 /nfs/dbraw/zinc/35/85/86/381358586.db2.gz ZFTUXXTUGYXSTR-STQMWFEESA-N 1 1 270.376 3.307 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1[C@H](C)c2ccc(OC)cc2C[C@@H]1C ZINC000359653525 381360181 /nfs/dbraw/zinc/36/01/81/381360181.db2.gz WNADTLAQSJVPNG-LZWOXQAQSA-N 1 1 289.419 3.330 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000740877414 572465253 /nfs/dbraw/zinc/46/52/53/572465253.db2.gz MKBFVADKAONZSE-GFCCVEGCSA-N 1 1 294.361 3.052 20 30 CGEDMO COC1(C[N@@H+](C)Cc2ccc(C#N)cc2)CCCCC1 ZINC000361507983 381780645 /nfs/dbraw/zinc/78/06/45/381780645.db2.gz HUCHLZXVLBXXER-UHFFFAOYSA-N 1 1 272.392 3.339 20 30 CGEDMO Cc1ccc2c(c1)C[N@H+](CCOc1ccc(C#N)cc1)C2 ZINC000361601612 381829671 /nfs/dbraw/zinc/82/96/71/381829671.db2.gz JYHBJQMNFOJKAX-UHFFFAOYSA-N 1 1 278.355 3.261 20 30 CGEDMO N#Cc1ccc(NC(=O)CC[N@@H+](CC2CC2)C2CCC2)cc1 ZINC000361570418 381811020 /nfs/dbraw/zinc/81/10/20/381811020.db2.gz CCNKUKOYUZKVES-UHFFFAOYSA-N 1 1 297.402 3.151 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cc(C)c2ncccc2c1 ZINC000361637825 381848677 /nfs/dbraw/zinc/84/86/77/381848677.db2.gz KZKPLLOJLHBUMA-UHFFFAOYSA-N 1 1 270.376 3.178 20 30 CGEDMO CC(C)[C@@H]1C[N@H+](Cc2cn3ccccc3c2C#N)CCS1 ZINC000362384384 381966136 /nfs/dbraw/zinc/96/61/36/381966136.db2.gz FFBAXSKSFMPTHG-KRWDZBQOSA-N 1 1 299.443 3.384 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](Cc2cn3ccccc3c2C#N)CCS1 ZINC000362384384 381966143 /nfs/dbraw/zinc/96/61/43/381966143.db2.gz FFBAXSKSFMPTHG-KRWDZBQOSA-N 1 1 299.443 3.384 20 30 CGEDMO Cc1occc1C[N@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000362916247 382147496 /nfs/dbraw/zinc/14/74/96/382147496.db2.gz FSVCHCIATZTVFE-UHFFFAOYSA-N 1 1 254.333 3.400 20 30 CGEDMO CCC[C@]1(CO)CC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000288784369 197165322 /nfs/dbraw/zinc/16/53/22/197165322.db2.gz KQTDAXATUUROJO-YOEHRIQHSA-N 1 1 272.392 3.104 20 30 CGEDMO C=C(C)CN1CCC([NH2+]Cc2cc(C)ccc2F)CC1 ZINC000116916857 260008330 /nfs/dbraw/zinc/00/83/30/260008330.db2.gz XAWJZVXKIYKQGR-UHFFFAOYSA-N 1 1 276.399 3.264 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCCCC[C@H]2CCO)c1 ZINC000342820347 542498352 /nfs/dbraw/zinc/49/83/52/542498352.db2.gz GYKWLUIZORDSPU-KRWDZBQOSA-N 1 1 289.419 3.378 20 30 CGEDMO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc2c(c1)OCO2 ZINC000428287644 533455640 /nfs/dbraw/zinc/45/56/40/533455640.db2.gz DTDUGUNBGSUXCA-LLVKDONJSA-N 1 1 298.317 3.277 20 30 CGEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)Cc1ccccc1 ZINC000077247050 533503465 /nfs/dbraw/zinc/50/34/65/533503465.db2.gz XBUDRNQNXGZSIF-UHFFFAOYSA-N 1 1 296.370 3.078 20 30 CGEDMO Cc1nccn1CCC[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000189966841 130045459 /nfs/dbraw/zinc/04/54/59/130045459.db2.gz WPQPJCDPEGCVRK-AWEZNQCLSA-N 1 1 282.391 3.146 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC1(N(C)C)CCC1 ZINC000190048098 130054899 /nfs/dbraw/zinc/05/48/99/130054899.db2.gz MPCBOAIPZSSEJZ-CQSZACIVSA-N 1 1 271.408 3.035 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC1(N(C)C)CCC1 ZINC000190048098 130054901 /nfs/dbraw/zinc/05/49/01/130054901.db2.gz MPCBOAIPZSSEJZ-CQSZACIVSA-N 1 1 271.408 3.035 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCS[C@H](C)CC1 ZINC000192178089 130388981 /nfs/dbraw/zinc/38/89/81/130388981.db2.gz WAERLXNZCXFCJG-OLZOCXBDSA-N 1 1 260.406 3.447 20 30 CGEDMO Cc1ccccc1C[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000048331271 391996871 /nfs/dbraw/zinc/99/68/71/391996871.db2.gz LXVOODUKPDRGGE-UHFFFAOYSA-N 1 1 280.371 3.378 20 30 CGEDMO CCCC[N@@H+](CCOc1ccccc1C#N)C1CC1 ZINC000048554263 392002526 /nfs/dbraw/zinc/00/25/26/392002526.db2.gz UMMIHSBCULDFJR-UHFFFAOYSA-N 1 1 258.365 3.202 20 30 CGEDMO Cc1cccc2nc(C[N@@H+](C)Cc3ccc(C#N)cc3)cn21 ZINC000051401083 392069320 /nfs/dbraw/zinc/06/93/20/392069320.db2.gz WFMFAVQYLWWHKO-UHFFFAOYSA-N 1 1 290.370 3.146 20 30 CGEDMO Cc1cccc2nc(C[N@H+](C)Cc3ccc(C#N)cc3)cn21 ZINC000051401083 392069328 /nfs/dbraw/zinc/06/93/28/392069328.db2.gz WFMFAVQYLWWHKO-UHFFFAOYSA-N 1 1 290.370 3.146 20 30 CGEDMO Cc1cc(C)c(C#N)c(NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)n1 ZINC000071954257 392194099 /nfs/dbraw/zinc/19/40/99/392194099.db2.gz SODNIZFTNKIYFR-SWLSCSKDSA-N 1 1 286.423 3.102 20 30 CGEDMO N#CCC[N@@H+](CC1=Cc2ccccc2OC1)CC1CC1 ZINC000093091424 392233775 /nfs/dbraw/zinc/23/37/75/392233775.db2.gz AFUCBCRNZZJCNB-UHFFFAOYSA-N 1 1 268.360 3.088 20 30 CGEDMO N#CCC[N@H+](CC1=Cc2ccccc2OC1)CC1CC1 ZINC000093091424 392233778 /nfs/dbraw/zinc/23/37/78/392233778.db2.gz AFUCBCRNZZJCNB-UHFFFAOYSA-N 1 1 268.360 3.088 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H](O)CCC(C)C ZINC000361261057 392269767 /nfs/dbraw/zinc/26/97/67/392269767.db2.gz DAXKKABMJKVVNI-SFHVURJKSA-N 1 1 286.419 3.343 20 30 CGEDMO CO[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000282225931 392286506 /nfs/dbraw/zinc/28/65/06/392286506.db2.gz FGPJDRVAWXCLHE-CJNGLKHVSA-N 1 1 277.795 3.191 20 30 CGEDMO C=CC[NH+](CC=C)Cc1c(C)nn(-c2ccccn2)c1C ZINC000282749194 392296193 /nfs/dbraw/zinc/29/61/93/392296193.db2.gz GSSIVXMJHWFTCZ-UHFFFAOYSA-N 1 1 282.391 3.058 20 30 CGEDMO Cc1ccc2c(c1)CC[N@@H+](Cc1ccccc1C#N)C2 ZINC000361724315 392304142 /nfs/dbraw/zinc/30/41/42/392304142.db2.gz BRWJLJNSMIBNFN-UHFFFAOYSA-N 1 1 262.356 3.425 20 30 CGEDMO Cc1ccc2c(c1)CC[N@H+](Cc1ccccc1C#N)C2 ZINC000361724315 392304148 /nfs/dbraw/zinc/30/41/48/392304148.db2.gz BRWJLJNSMIBNFN-UHFFFAOYSA-N 1 1 262.356 3.425 20 30 CGEDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(C#N)c(F)c2)C[C@H]1C ZINC000361836281 392339194 /nfs/dbraw/zinc/33/91/94/392339194.db2.gz DZLPJSBHDGFVRJ-CJNGLKHVSA-N 1 1 289.398 3.002 20 30 CGEDMO CCCO[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC000108393344 392342060 /nfs/dbraw/zinc/34/20/60/392342060.db2.gz XRVQMZHKMDBUIS-QGZVFWFLSA-N 1 1 272.392 3.339 20 30 CGEDMO C=CCCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000286213276 392378916 /nfs/dbraw/zinc/37/89/16/392378916.db2.gz YLBAQNYYUNTCQH-FGTMMUONSA-N 1 1 271.404 3.457 20 30 CGEDMO C[C@H](N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccc(C#N)cc1 ZINC000362232811 392413149 /nfs/dbraw/zinc/41/31/49/392413149.db2.gz CXYURWCSVCCAAI-WMLDXEAASA-N 1 1 283.419 3.226 20 30 CGEDMO C[C@H]([NH2+][C@@H]1CCN(C2CCCC2)C1)c1ccc(C#N)cc1 ZINC000362232811 392413151 /nfs/dbraw/zinc/41/31/51/392413151.db2.gz CXYURWCSVCCAAI-WMLDXEAASA-N 1 1 283.419 3.226 20 30 CGEDMO CC1(C)C[N@H+](CC#Cc2ccc(F)cc2)[C@@H]1[C@@H]1CCCO1 ZINC000289941224 392437678 /nfs/dbraw/zinc/43/76/78/392437678.db2.gz VRBSAEULUZLNDN-DLBZAZTESA-N 1 1 287.378 3.067 20 30 CGEDMO CC1(C)C[N@@H+](CC#Cc2ccc(F)cc2)[C@@H]1[C@@H]1CCCO1 ZINC000289941224 392437680 /nfs/dbraw/zinc/43/76/80/392437680.db2.gz VRBSAEULUZLNDN-DLBZAZTESA-N 1 1 287.378 3.067 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)CC1CCC(=O)CC1 ZINC000290119716 392440995 /nfs/dbraw/zinc/44/09/95/392440995.db2.gz UBKRKMUSNLZGAL-UHFFFAOYSA-N 1 1 271.404 3.476 20 30 CGEDMO CC[C@@H](N[C@H](C)C[N@H+](C)C(C)C)c1ccc(C#N)cc1 ZINC000290272878 392444204 /nfs/dbraw/zinc/44/42/04/392444204.db2.gz WIDSZNSOPTXDEX-RHSMWYFYSA-N 1 1 273.424 3.328 20 30 CGEDMO CC[C@@H](N[C@H](C)C[N@@H+](C)C(C)C)c1ccc(C#N)cc1 ZINC000290272878 392444207 /nfs/dbraw/zinc/44/42/07/392444207.db2.gz WIDSZNSOPTXDEX-RHSMWYFYSA-N 1 1 273.424 3.328 20 30 CGEDMO C=CC[N@H+](CCC(=O)C(C)C)Cc1cccc(C#N)c1 ZINC000290415627 392446860 /nfs/dbraw/zinc/44/68/60/392446860.db2.gz UKDAPOYNIFMIHN-UHFFFAOYSA-N 1 1 270.376 3.161 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134805140 392468083 /nfs/dbraw/zinc/46/80/83/392468083.db2.gz DPCXEQTZGMNHTE-CABCVRRESA-N 1 1 283.774 3.466 20 30 CGEDMO CC(C)C[C@H]1CCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000130279328 392454893 /nfs/dbraw/zinc/45/48/93/392454893.db2.gz LKOHEPBUGGHFEV-CYBMUJFWSA-N 1 1 291.420 3.069 20 30 CGEDMO COCCCCC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000362105760 392406382 /nfs/dbraw/zinc/40/63/82/392406382.db2.gz JCVNKFGBZRDEAV-UHFFFAOYSA-N 1 1 284.403 3.464 20 30 CGEDMO N#CCC[N@@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000372536623 392618116 /nfs/dbraw/zinc/61/81/16/392618116.db2.gz LCYBOBHMYIPKKI-CQSZACIVSA-N 1 1 293.208 3.370 20 30 CGEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccc(C)cn1 ZINC000156390592 392546415 /nfs/dbraw/zinc/54/64/15/392546415.db2.gz OBIJFZQECVWVNY-UHFFFAOYSA-N 1 1 277.371 3.450 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(C)cn1 ZINC000156390592 392546420 /nfs/dbraw/zinc/54/64/20/392546420.db2.gz OBIJFZQECVWVNY-UHFFFAOYSA-N 1 1 277.371 3.450 20 30 CGEDMO CC(C)(CCC#N)C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000374281791 392674264 /nfs/dbraw/zinc/67/42/64/392674264.db2.gz CHUCEYQIPARULZ-KRWDZBQOSA-N 1 1 297.402 3.262 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000374281791 392674272 /nfs/dbraw/zinc/67/42/72/392674272.db2.gz CHUCEYQIPARULZ-KRWDZBQOSA-N 1 1 297.402 3.262 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)Cc1ccc2c(c1)CCO2 ZINC000173540490 392626632 /nfs/dbraw/zinc/62/66/32/392626632.db2.gz NTXBENCBFCKBJW-UHFFFAOYSA-N 1 1 272.392 3.383 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)Cc1ccc2c(c1)CCO2 ZINC000173540490 392626635 /nfs/dbraw/zinc/62/66/35/392626635.db2.gz NTXBENCBFCKBJW-UHFFFAOYSA-N 1 1 272.392 3.383 20 30 CGEDMO C#CC[N@@H+](Cc1cc[nH]c1)[C@@H]1CCc2ccccc21 ZINC000179204483 392690468 /nfs/dbraw/zinc/69/04/68/392690468.db2.gz IBKDPPNTADOBAK-QGZVFWFLSA-N 1 1 250.345 3.137 20 30 CGEDMO N#CCC[N@H+](CCSc1ccccc1)CC1CC1 ZINC000174696209 392645111 /nfs/dbraw/zinc/64/51/11/392645111.db2.gz TWSRMSUAKWZTPX-UHFFFAOYSA-N 1 1 260.406 3.404 20 30 CGEDMO N#CCC[N@@H+](CCSc1ccccc1)CC1CC1 ZINC000174696209 392645118 /nfs/dbraw/zinc/64/51/18/392645118.db2.gz TWSRMSUAKWZTPX-UHFFFAOYSA-N 1 1 260.406 3.404 20 30 CGEDMO C[N@@H+](CCCC(C)(C)C#N)Cc1ccc(C#N)cc1 ZINC000174818249 392645751 /nfs/dbraw/zinc/64/57/51/392645751.db2.gz BMDRIJOUKNZVPS-UHFFFAOYSA-N 1 1 255.365 3.320 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000174816240 392645948 /nfs/dbraw/zinc/64/59/48/392645948.db2.gz GAMYRWVHMSDZRS-INIZCTEOSA-N 1 1 272.392 3.390 20 30 CGEDMO CCC[N@@H+](C)C[C@H]1CCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000174966530 392647406 /nfs/dbraw/zinc/64/74/06/392647406.db2.gz QAWNPIAHDHKHSF-DOTOQJQBSA-N 1 1 285.435 3.283 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](OCC3CC3)C2)c1 ZINC000375312001 392767344 /nfs/dbraw/zinc/76/73/44/392767344.db2.gz ZNCNKVNRGJUCEV-INIZCTEOSA-N 1 1 288.366 3.088 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](OCC3CC3)C2)c1 ZINC000375312001 392767351 /nfs/dbraw/zinc/76/73/51/392767351.db2.gz ZNCNKVNRGJUCEV-INIZCTEOSA-N 1 1 288.366 3.088 20 30 CGEDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000183473217 392756962 /nfs/dbraw/zinc/75/69/62/392756962.db2.gz DTRFPRGVYSSQHK-UHFFFAOYSA-N 1 1 299.305 3.204 20 30 CGEDMO Cc1cc([C@@H](C)[NH2+]C[C@H](C#N)CCC#N)c(C)s1 ZINC000179371818 392699919 /nfs/dbraw/zinc/69/99/19/392699919.db2.gz WNPWRPAJDBJOID-YPMHNXCESA-N 1 1 261.394 3.459 20 30 CGEDMO Cc1ccc(NC(=O)C[N@H+](C)CC(C)(C)CCC#N)cc1 ZINC000179533903 392702436 /nfs/dbraw/zinc/70/24/36/392702436.db2.gz VUVUPAODXOWORI-UHFFFAOYSA-N 1 1 287.407 3.195 20 30 CGEDMO CC(C)CCO[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000192063961 392838183 /nfs/dbraw/zinc/83/81/83/392838183.db2.gz VWTPTRYUQNBRKL-MRXNPFEDSA-N 1 1 290.382 3.334 20 30 CGEDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2C)[C@H](C)C1 ZINC000186298390 392782950 /nfs/dbraw/zinc/78/29/50/392782950.db2.gz LTUZPOZMDJHCNJ-CRAIPNDOSA-N 1 1 285.435 3.029 20 30 CGEDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2C)[C@H](C)C1 ZINC000186298390 392782951 /nfs/dbraw/zinc/78/29/51/392782951.db2.gz LTUZPOZMDJHCNJ-CRAIPNDOSA-N 1 1 285.435 3.029 20 30 CGEDMO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(C#N)cc2C)[C@H](C)C1 ZINC000186298390 392782954 /nfs/dbraw/zinc/78/29/54/392782954.db2.gz LTUZPOZMDJHCNJ-CRAIPNDOSA-N 1 1 285.435 3.029 20 30 CGEDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C#N)cc2C)[C@H](C)C1 ZINC000186298390 392782963 /nfs/dbraw/zinc/78/29/63/392782963.db2.gz LTUZPOZMDJHCNJ-CRAIPNDOSA-N 1 1 285.435 3.029 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c(F)c1 ZINC000335250098 392784604 /nfs/dbraw/zinc/78/46/04/392784604.db2.gz SQHSMCZWZLQPCX-FUHWJXTLSA-N 1 1 296.345 3.005 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)c(F)c1 ZINC000335250098 392784606 /nfs/dbraw/zinc/78/46/06/392784606.db2.gz SQHSMCZWZLQPCX-FUHWJXTLSA-N 1 1 296.345 3.005 20 30 CGEDMO Cc1csc([C@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)n1 ZINC000192181629 392840688 /nfs/dbraw/zinc/84/06/88/392840688.db2.gz STDDMEDLBFNZBY-JTQLQIEISA-N 1 1 275.352 3.313 20 30 CGEDMO CSc1ccc(OCC[N@H+](C[C@H](C)C#N)C2CC2)cc1 ZINC000338350867 392911206 /nfs/dbraw/zinc/91/12/06/392911206.db2.gz QBGULQWUHJIBFV-CYBMUJFWSA-N 1 1 290.432 3.411 20 30 CGEDMO CSc1ccc(OCC[N@@H+](C[C@H](C)C#N)C2CC2)cc1 ZINC000338350867 392911210 /nfs/dbraw/zinc/91/12/10/392911210.db2.gz QBGULQWUHJIBFV-CYBMUJFWSA-N 1 1 290.432 3.411 20 30 CGEDMO CCOc1ccc(C[N@H+](C[C@H](C)C#N)C2CC2)cc1 ZINC000338380032 392913784 /nfs/dbraw/zinc/91/37/84/392913784.db2.gz SCFWDXOATUZUDT-CYBMUJFWSA-N 1 1 258.365 3.209 20 30 CGEDMO CCOc1ccc(C[N@@H+](C[C@H](C)C#N)C2CC2)cc1 ZINC000338380032 392913794 /nfs/dbraw/zinc/91/37/94/392913794.db2.gz SCFWDXOATUZUDT-CYBMUJFWSA-N 1 1 258.365 3.209 20 30 CGEDMO C[C@@H](C#N)C[N@H+](Cc1cc2ccccc2[nH]c1=O)C1CC1 ZINC000338384653 392914741 /nfs/dbraw/zinc/91/47/41/392914741.db2.gz SLVRHCFILKRANE-LBPRGKRZSA-N 1 1 281.359 3.064 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](Cc1cc2ccccc2[nH]c1=O)C1CC1 ZINC000338384653 392914746 /nfs/dbraw/zinc/91/47/46/392914746.db2.gz SLVRHCFILKRANE-LBPRGKRZSA-N 1 1 281.359 3.064 20 30 CGEDMO C=CCOCC[N@H+]1CCc2sccc2[C@@H]1CC ZINC000338914380 392936293 /nfs/dbraw/zinc/93/62/93/392936293.db2.gz XUYFLGBLMCOEQZ-ZDUSSCGKSA-N 1 1 251.395 3.260 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000739912279 572608011 /nfs/dbraw/zinc/60/80/11/572608011.db2.gz JHGGWYVCYSRBNE-KBPBESRZSA-N 1 1 282.428 3.330 20 30 CGEDMO C=CCOCC[N@H+](C)CCc1ccc(Cl)cc1 ZINC000338996930 392940208 /nfs/dbraw/zinc/94/02/08/392940208.db2.gz LIEAQGKTMJOUIU-UHFFFAOYSA-N 1 1 253.773 3.017 20 30 CGEDMO C[C@@H]1CC[C@@]2(CC[N@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C2)C1 ZINC000459399215 392943766 /nfs/dbraw/zinc/94/37/66/392943766.db2.gz BHHUUSWAEDELAQ-CXAGYDPISA-N 1 1 299.374 3.479 20 30 CGEDMO C[C@@H]1CC[C@@]2(CC[N@@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C2)C1 ZINC000459399215 392943772 /nfs/dbraw/zinc/94/37/72/392943772.db2.gz BHHUUSWAEDELAQ-CXAGYDPISA-N 1 1 299.374 3.479 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@]3(C2)OCc2ccccc23)C1 ZINC000339090986 392947375 /nfs/dbraw/zinc/94/73/75/392947375.db2.gz KVLORSVQGFZGIR-QGPMSJSTSA-N 1 1 282.387 3.200 20 30 CGEDMO Cc1cc(CNC[C@H]2CC[N@@H+]2C2CCCCC2)ccc1C#N ZINC000527753194 392958942 /nfs/dbraw/zinc/95/89/42/392958942.db2.gz QVPCOOWTRQOOAI-LJQANCHMSA-N 1 1 297.446 3.363 20 30 CGEDMO Cc1cc(CNC[C@H]2CC[N@H+]2C2CCCCC2)ccc1C#N ZINC000527753194 392958943 /nfs/dbraw/zinc/95/89/43/392958943.db2.gz QVPCOOWTRQOOAI-LJQANCHMSA-N 1 1 297.446 3.363 20 30 CGEDMO CC(C)Oc1ncccc1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404072392 392962686 /nfs/dbraw/zinc/96/26/86/392962686.db2.gz PODVVULSKLHRMJ-UHFFFAOYSA-N 1 1 299.349 3.169 20 30 CGEDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411616909 392981807 /nfs/dbraw/zinc/98/18/07/392981807.db2.gz NHEHZNZLMZLFMA-OWCLPIDISA-N 1 1 278.440 3.332 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000411677763 392984868 /nfs/dbraw/zinc/98/48/68/392984868.db2.gz RYBACEPDOCFRPL-AIANPOQGSA-N 1 1 276.424 3.348 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000411743113 392986739 /nfs/dbraw/zinc/98/67/39/392986739.db2.gz FPHXRJZSPWNIDA-WMLDXEAASA-N 1 1 270.376 3.148 20 30 CGEDMO C[N@@H+](CCC1(C#N)CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000411721229 392987136 /nfs/dbraw/zinc/98/71/36/392987136.db2.gz RVONVJCMIKIMGZ-SJPCQFCGSA-N 1 1 289.467 3.408 20 30 CGEDMO C[NH+](CCC1(C#N)CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000411721229 392987141 /nfs/dbraw/zinc/98/71/41/392987141.db2.gz RVONVJCMIKIMGZ-SJPCQFCGSA-N 1 1 289.467 3.408 20 30 CGEDMO C[NH+](CCC1(C#N)CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000411721229 392987143 /nfs/dbraw/zinc/98/71/43/392987143.db2.gz RVONVJCMIKIMGZ-SJPCQFCGSA-N 1 1 289.467 3.408 20 30 CGEDMO CN(CCC1(C#N)CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000411721229 392987149 /nfs/dbraw/zinc/98/71/49/392987149.db2.gz RVONVJCMIKIMGZ-SJPCQFCGSA-N 1 1 289.467 3.408 20 30 CGEDMO CN(CCC1(C#N)CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000411721229 392987156 /nfs/dbraw/zinc/98/71/56/392987156.db2.gz RVONVJCMIKIMGZ-SJPCQFCGSA-N 1 1 289.467 3.408 20 30 CGEDMO N#CC1(CC[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)CCCCC1 ZINC000411803344 392988826 /nfs/dbraw/zinc/98/88/26/392988826.db2.gz OHMOEIAXDAGPJL-GVDBMIGSSA-N 1 1 290.451 3.476 20 30 CGEDMO C[C@@H](CCC#N)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000411800945 392989060 /nfs/dbraw/zinc/98/90/60/392989060.db2.gz ZQLUJJAQIAGRKK-SJORKVTESA-N 1 1 285.435 3.133 20 30 CGEDMO C[C@@H](CCC#N)[N@@H+]1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000411800945 392989066 /nfs/dbraw/zinc/98/90/66/392989066.db2.gz ZQLUJJAQIAGRKK-SJORKVTESA-N 1 1 285.435 3.133 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC000411800945 392989072 /nfs/dbraw/zinc/98/90/72/392989072.db2.gz ZQLUJJAQIAGRKK-SJORKVTESA-N 1 1 285.435 3.133 20 30 CGEDMO C[N@@H+](Cc1ccc(CC#N)cc1)Cc1cccc(C#N)c1 ZINC000342692700 393005281 /nfs/dbraw/zinc/00/52/81/393005281.db2.gz KWOGNWGXFLTIRM-UHFFFAOYSA-N 1 1 275.355 3.256 20 30 CGEDMO C[C@H]1C[C@@H](N(C)CC2(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000343314851 393024525 /nfs/dbraw/zinc/02/45/25/393024525.db2.gz OOBNGVGYBVCLBL-WMZOPIPTSA-N 1 1 297.446 3.275 20 30 CGEDMO N#CC1(C[N@H+]2CC[C@H](CSc3ccccc3)C2)CC1 ZINC000343313998 393024955 /nfs/dbraw/zinc/02/49/55/393024955.db2.gz LNPOGDKTOUNKGN-AWEZNQCLSA-N 1 1 272.417 3.404 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@@H](C)C(C)(C)C2)cc1C#N ZINC000546125480 393034444 /nfs/dbraw/zinc/03/44/44/393034444.db2.gz JWILHOMAFXOHLW-CYBMUJFWSA-N 1 1 272.392 3.435 20 30 CGEDMO Cc1cc(C[N@@H+](C)[C@H](C)CC#N)cc2cccnc12 ZINC000346144247 393076760 /nfs/dbraw/zinc/07/67/60/393076760.db2.gz SASPPMQMGSYRAW-CYBMUJFWSA-N 1 1 253.349 3.277 20 30 CGEDMO Cc1cc(C[N@H+](C)[C@H](C)CC#N)cc2cccnc12 ZINC000346144247 393076768 /nfs/dbraw/zinc/07/67/68/393076768.db2.gz SASPPMQMGSYRAW-CYBMUJFWSA-N 1 1 253.349 3.277 20 30 CGEDMO N#CC1(F)CC[NH+](Cc2ccc3occc3c2)CC1 ZINC000348711754 393128743 /nfs/dbraw/zinc/12/87/43/393128743.db2.gz RTYLLGWLCFWEIA-UHFFFAOYSA-N 1 1 258.296 3.260 20 30 CGEDMO C=C(C)C[N@H+](CC[C@@H]1CCOC1)Cc1cnn(C(C)C)c1 ZINC000348873113 393134905 /nfs/dbraw/zinc/13/49/05/393134905.db2.gz DUCQUBAKMCDFNW-MRXNPFEDSA-N 1 1 291.439 3.269 20 30 CGEDMO CC[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc(C#N)cc1 ZINC000278249374 393316167 /nfs/dbraw/zinc/31/61/67/393316167.db2.gz MLJMUVFINADHJX-YJBOKZPZSA-N 1 1 283.419 3.083 20 30 CGEDMO C=C[C@](C)(CC)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000355432027 393319892 /nfs/dbraw/zinc/31/98/92/393319892.db2.gz JOPNUPLXRPQPTA-OAHLLOKOSA-N 1 1 257.337 3.184 20 30 CGEDMO C=CCCCC[NH+]1CCN(C(=O)c2ccc(C)s2)CC1 ZINC000649254031 393387316 /nfs/dbraw/zinc/38/73/16/393387316.db2.gz IMFSTIBXLXQVLF-UHFFFAOYSA-N 1 1 292.448 3.171 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+](C)Cc1c2ccccc2oc1CC ZINC000649222730 393375097 /nfs/dbraw/zinc/37/50/97/393375097.db2.gz IHPAJKSDNOGOAT-HNNXBMFYSA-N 1 1 273.376 3.364 20 30 CGEDMO C[C@@H](CN[C@@H]1CCCCc2cc(C#N)ccc21)C[NH+](C)C ZINC000425938558 393445946 /nfs/dbraw/zinc/44/59/46/393445946.db2.gz QJHYUHIFODOTQZ-KBXCAEBGSA-N 1 1 285.435 3.113 20 30 CGEDMO C[C@@H](C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21)CN(C)C ZINC000425938558 393445950 /nfs/dbraw/zinc/44/59/50/393445950.db2.gz QJHYUHIFODOTQZ-KBXCAEBGSA-N 1 1 285.435 3.113 20 30 CGEDMO Cc1cc(C[N@H+]2CCc3ccsc3C2)ccc1C#N ZINC000488168650 393465339 /nfs/dbraw/zinc/46/53/39/393465339.db2.gz QDWZGQYOFZLARZ-UHFFFAOYSA-N 1 1 268.385 3.487 20 30 CGEDMO C[C@H](Cc1[nH]cc[nH+]1)OCc1ccccc1C(C)(C)C#N ZINC000360953954 393623110 /nfs/dbraw/zinc/62/31/10/393623110.db2.gz NPKPKMTZPAYBHD-CYBMUJFWSA-N 1 1 283.375 3.359 20 30 CGEDMO Cc1ccccc1[C@H]([C@H](C)[NH2+]Cc1ccc(C#N)o1)N(C)C ZINC000443008758 393740271 /nfs/dbraw/zinc/74/02/71/393740271.db2.gz HDWCJMLLROSHLG-KSSFIOAISA-N 1 1 297.402 3.241 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](C)C[C@@H](C)C1 ZINC000443662057 393770735 /nfs/dbraw/zinc/77/07/35/393770735.db2.gz ULZOXDRDJXRGCU-UONOGXRCSA-N 1 1 272.392 3.435 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2ncc(COC)s2)C1 ZINC000668492438 543021005 /nfs/dbraw/zinc/02/10/05/543021005.db2.gz ANRZYINKQRSHJH-GFCCVEGCSA-N 1 1 266.410 3.078 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2ncc(COC)s2)C1 ZINC000668492438 543021009 /nfs/dbraw/zinc/02/10/09/543021009.db2.gz ANRZYINKQRSHJH-GFCCVEGCSA-N 1 1 266.410 3.078 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)Cc2ccccc2)C1 ZINC000674252287 543277153 /nfs/dbraw/zinc/27/71/53/543277153.db2.gz VHGBDGOBILTMOO-QGZVFWFLSA-N 1 1 258.409 3.159 20 30 CGEDMO C=CC[N@@H+](CC(=O)N(CC)CC(=C)C)Cc1ccccc1 ZINC000045840865 397626250 /nfs/dbraw/zinc/62/62/50/397626250.db2.gz RZUUQULWWXDSJB-UHFFFAOYSA-N 1 1 286.419 3.099 20 30 CGEDMO C=CC[N@H+](CC(=O)N(CC)CC(=C)C)Cc1ccccc1 ZINC000045840865 397626253 /nfs/dbraw/zinc/62/62/53/397626253.db2.gz RZUUQULWWXDSJB-UHFFFAOYSA-N 1 1 286.419 3.099 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000338566086 397683768 /nfs/dbraw/zinc/68/37/68/397683768.db2.gz QDXGDHXICNMMPG-HNNXBMFYSA-N 1 1 298.386 3.203 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCc2ccccc2[C@H]1CC ZINC000675494836 543343826 /nfs/dbraw/zinc/34/38/26/543343826.db2.gz DSBFSJHYEFBSAV-NVXWUHKLSA-N 1 1 259.393 3.323 20 30 CGEDMO C=CC[N@H+](C(C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000676705082 543411048 /nfs/dbraw/zinc/41/10/48/543411048.db2.gz QKGUUQQRJPCEAX-KRWDZBQOSA-N 1 1 258.409 3.157 20 30 CGEDMO C=CCN(C(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000676705082 543411050 /nfs/dbraw/zinc/41/10/50/543411050.db2.gz QKGUUQQRJPCEAX-KRWDZBQOSA-N 1 1 258.409 3.157 20 30 CGEDMO C=CCN(C(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000676705082 543411051 /nfs/dbraw/zinc/41/10/51/543411051.db2.gz QKGUUQQRJPCEAX-KRWDZBQOSA-N 1 1 258.409 3.157 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+]1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000677048483 543428055 /nfs/dbraw/zinc/42/80/55/543428055.db2.gz YUTCZBFWBBUXIS-VYDXJSESSA-N 1 1 259.393 3.110 20 30 CGEDMO COCC#CC[N@@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000677132806 543435472 /nfs/dbraw/zinc/43/54/72/543435472.db2.gz RWVNGQJYMJUOOO-CYBMUJFWSA-N 1 1 257.333 3.075 20 30 CGEDMO CC[C@@H]1C[N@@H+](CC#CCOC)CC[C@H]1c1ccccc1 ZINC000677133036 543435655 /nfs/dbraw/zinc/43/56/55/543435655.db2.gz DUBYOPKPXQPKNZ-SJLPKXTDSA-N 1 1 271.404 3.152 20 30 CGEDMO FC(F)[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000677731878 543461630 /nfs/dbraw/zinc/46/16/30/543461630.db2.gz PILGEPQUQMJOMR-GFCCVEGCSA-N 1 1 269.722 3.279 20 30 CGEDMO FC(F)[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000677731878 543461632 /nfs/dbraw/zinc/46/16/32/543461632.db2.gz PILGEPQUQMJOMR-GFCCVEGCSA-N 1 1 269.722 3.279 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000678049322 543479332 /nfs/dbraw/zinc/47/93/32/543479332.db2.gz HQTLFRARYNCARZ-DZGCQCFKSA-N 1 1 265.784 3.066 20 30 CGEDMO C[C@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000063309158 165029584 /nfs/dbraw/zinc/02/95/84/165029584.db2.gz RODRBOUIGABBII-LBPRGKRZSA-N 1 1 291.420 3.070 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCSC3(CCCCC3)C2)o1 ZINC000093705250 165333097 /nfs/dbraw/zinc/33/30/97/165333097.db2.gz USNKQLYBKZQPAB-UHFFFAOYSA-N 1 1 276.405 3.403 20 30 CGEDMO CC[C@@H]1C[N@H+]([C@H](C)c2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000246452325 287210922 /nfs/dbraw/zinc/21/09/22/287210922.db2.gz VRWHGGHZNMNZMF-XJKCOSOUSA-N 1 1 258.365 3.119 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCCNc1ccc(C#N)cc1F ZINC000037507394 173242153 /nfs/dbraw/zinc/24/21/53/173242153.db2.gz NHZRFOBCIWDUGD-CYBMUJFWSA-N 1 1 275.371 3.374 20 30 CGEDMO C[C@@H]1C[C@@H](C)[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000127303596 287285109 /nfs/dbraw/zinc/28/51/09/287285109.db2.gz DWCPFBFUUHNODN-ZIAGYGMSSA-N 1 1 258.365 3.057 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000127303832 287285169 /nfs/dbraw/zinc/28/51/69/287285169.db2.gz DWCPFBFUUHNODN-UONOGXRCSA-N 1 1 258.365 3.057 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000127466983 287288583 /nfs/dbraw/zinc/28/85/83/287288583.db2.gz MONWDRIVDPDJCT-CQSZACIVSA-N 1 1 257.362 3.285 20 30 CGEDMO Cc1csc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)n1 ZINC000038090746 174103685 /nfs/dbraw/zinc/10/36/85/174103685.db2.gz OZMKOYODMWGSAP-NSHDSACASA-N 1 1 257.362 3.174 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000127466983 287288587 /nfs/dbraw/zinc/28/85/87/287288587.db2.gz MONWDRIVDPDJCT-CQSZACIVSA-N 1 1 257.362 3.285 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CC1)c1ccc(OC(F)F)cc1 ZINC000343578418 224802223 /nfs/dbraw/zinc/80/22/23/224802223.db2.gz BYWHILTUPOGGDC-JTQLQIEISA-N 1 1 266.291 3.242 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(OCC)cn1 ZINC000679329806 543620078 /nfs/dbraw/zinc/62/00/78/543620078.db2.gz XYFGYACNPOJAHL-UHFFFAOYSA-N 1 1 286.375 3.304 20 30 CGEDMO CCC#C[C@H](C)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000680401216 543708756 /nfs/dbraw/zinc/70/87/56/543708756.db2.gz JNMMSHYIRPCZDF-JYJNAYRXSA-N 1 1 262.441 3.031 20 30 CGEDMO CCC#C[C@H](C)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000680401216 543708759 /nfs/dbraw/zinc/70/87/59/543708759.db2.gz JNMMSHYIRPCZDF-JYJNAYRXSA-N 1 1 262.441 3.031 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+](CC)C[C@@H](CC)c1ccccc1 ZINC000681482029 543789692 /nfs/dbraw/zinc/78/96/92/543789692.db2.gz ZESPSJULCYLOCY-NVXWUHKLSA-N 1 1 261.409 3.439 20 30 CGEDMO C[N@H+](Cc1c[nH]nc1C(C)(C)C)Cc1ccc(C#N)cc1 ZINC000131191453 287372974 /nfs/dbraw/zinc/37/29/74/287372974.db2.gz NBESEQNPFZIEBF-UHFFFAOYSA-N 1 1 282.391 3.211 20 30 CGEDMO C[N@@H+](Cc1c[nH]nc1C(C)(C)C)Cc1ccc(C#N)cc1 ZINC000131191453 287372976 /nfs/dbraw/zinc/37/29/76/287372976.db2.gz NBESEQNPFZIEBF-UHFFFAOYSA-N 1 1 282.391 3.211 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc2c(cc1OC)C[C@H](C)O2 ZINC000682436468 543846220 /nfs/dbraw/zinc/84/62/20/543846220.db2.gz MHAMOVCEIGZERO-LBPRGKRZSA-N 1 1 261.365 3.027 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)[C@H](C)Cc1ccccc1C ZINC000683678548 543931532 /nfs/dbraw/zinc/93/15/32/543931532.db2.gz OTYJJYUILOXEQS-NVXWUHKLSA-N 1 1 261.409 3.185 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cc(C)ccn1 ZINC000683020624 543890787 /nfs/dbraw/zinc/89/07/87/543890787.db2.gz CAKWQWJGVDAJGR-UHFFFAOYSA-N 1 1 256.349 3.214 20 30 CGEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1cc(C)ccn1 ZINC000683780383 543941360 /nfs/dbraw/zinc/94/13/60/543941360.db2.gz GGDSJSVJAPPATN-UHFFFAOYSA-N 1 1 275.396 3.007 20 30 CGEDMO N#CC1(C[NH+]2CCC(Oc3ccccc3Cl)CC2)CC1 ZINC000347454053 226161068 /nfs/dbraw/zinc/16/10/68/226161068.db2.gz CRIUSXPIIAALHG-UHFFFAOYSA-N 1 1 290.794 3.487 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)nn1 ZINC000653556991 419047604 /nfs/dbraw/zinc/04/76/04/419047604.db2.gz VRJZWWMSDFMKCT-RDJZCZTQSA-N 1 1 296.418 3.232 20 30 CGEDMO C=C(C)C[N@@H+](CC)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000659830140 419004500 /nfs/dbraw/zinc/00/45/00/419004500.db2.gz YKFGJGBVPVGPGY-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCOc1ccc(C[NH+]2CC3(CC3(F)F)C2)cc1OC ZINC000656266980 419160801 /nfs/dbraw/zinc/16/08/01/419160801.db2.gz NCPPDPCQSGIGGV-UHFFFAOYSA-N 1 1 295.329 3.101 20 30 CGEDMO C=CC[N@@H+](Cc1cc(C)ccc1OC)[C@H](C)COC ZINC000661246240 419244129 /nfs/dbraw/zinc/24/41/29/419244129.db2.gz HDSHOMCFXBZFCS-CQSZACIVSA-N 1 1 263.381 3.027 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)c2c[nH]c3ncccc23)C1 ZINC000661382184 419254930 /nfs/dbraw/zinc/25/49/30/419254930.db2.gz UCJXCHAYPRIOHH-UONOGXRCSA-N 1 1 297.402 3.422 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nn2)C1 ZINC000661378643 419255300 /nfs/dbraw/zinc/25/53/00/419255300.db2.gz JSIZKWGETSBYAL-OAHLLOKOSA-N 1 1 282.391 3.055 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2C)C1 ZINC000661380083 419255629 /nfs/dbraw/zinc/25/56/29/419255629.db2.gz DWPFLNPYCYYNRE-CQSZACIVSA-N 1 1 269.392 3.361 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(F)cc2F)C1 ZINC000661379480 419256092 /nfs/dbraw/zinc/25/60/92/419256092.db2.gz CMGWCMGKFVDJCN-LBPRGKRZSA-N 1 1 294.345 3.191 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(F)cc2F)C1 ZINC000661379480 419256094 /nfs/dbraw/zinc/25/60/94/419256094.db2.gz CMGWCMGKFVDJCN-LBPRGKRZSA-N 1 1 294.345 3.191 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](CCCN2CCCCC2)C1 ZINC000661386402 419256591 /nfs/dbraw/zinc/25/65/91/419256591.db2.gz SMEDLHGVUXPNNW-INIZCTEOSA-N 1 1 250.430 3.151 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](CCCN2CCCCC2)C1 ZINC000661386402 419256595 /nfs/dbraw/zinc/25/65/95/419256595.db2.gz SMEDLHGVUXPNNW-INIZCTEOSA-N 1 1 250.430 3.151 20 30 CGEDMO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1noc(C2CC2)n1 ZINC000661115556 419232048 /nfs/dbraw/zinc/23/20/48/419232048.db2.gz DIBKVJKOBOTZPX-WCQYABFASA-N 1 1 261.369 3.172 20 30 CGEDMO C=CC[C@H](CC)NC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000661121760 419232779 /nfs/dbraw/zinc/23/27/79/419232779.db2.gz GDAIJDIUDCJVQO-LSDHHAIUSA-N 1 1 293.455 3.047 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](CCCC(=O)c2ccccc2)C1 ZINC000661151561 419235169 /nfs/dbraw/zinc/23/51/69/419235169.db2.gz DBTSEXLCMFADJL-HNNXBMFYSA-N 1 1 270.376 3.275 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1ccc(OCC)cc1)C(C)(C)C ZINC000661756375 419295031 /nfs/dbraw/zinc/29/50/31/419295031.db2.gz MMZWDZKYLSZCHY-UHFFFAOYSA-N 1 1 290.407 3.310 20 30 CGEDMO C=CC[N@H+](CCC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000661755083 419295226 /nfs/dbraw/zinc/29/52/26/419295226.db2.gz JBUSDGNIKDEHKW-UHFFFAOYSA-N 1 1 278.371 3.441 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000662082701 419333877 /nfs/dbraw/zinc/33/38/77/419333877.db2.gz XEFYXRVIORSVRR-HRCADAONSA-N 1 1 278.440 3.203 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)Cc1cccc(Cl)c1 ZINC000662091446 419334933 /nfs/dbraw/zinc/33/49/33/419334933.db2.gz YGKRUXZHIZHIGB-IXDOHACOSA-N 1 1 291.822 3.426 20 30 CGEDMO Cc1cc(Br)ccc1C[N@@H+](C)C[C@H](C)C#N ZINC000352086692 228181273 /nfs/dbraw/zinc/18/12/73/228181273.db2.gz HEJWKIPPBGUDIY-SNVBAGLBSA-N 1 1 281.197 3.349 20 30 CGEDMO Cc1cc(Br)ccc1C[N@H+](C)C[C@H](C)C#N ZINC000352086692 228181274 /nfs/dbraw/zinc/18/12/74/228181274.db2.gz HEJWKIPPBGUDIY-SNVBAGLBSA-N 1 1 281.197 3.349 20 30 CGEDMO C=C[C@H](CO)[NH2+]Cc1csc(-c2ccc(CC)cc2)n1 ZINC000662164022 419348660 /nfs/dbraw/zinc/34/86/60/419348660.db2.gz VBYQQOXLILWTED-CQSZACIVSA-N 1 1 288.416 3.009 20 30 CGEDMO Cc1ccc(C[N@@H+](C)Cc2cnc3ccc(C#N)cn23)cc1 ZINC000179602059 260057626 /nfs/dbraw/zinc/05/76/26/260057626.db2.gz FWSKKQZFQGPMOS-UHFFFAOYSA-N 1 1 290.370 3.146 20 30 CGEDMO C=CC[NH2+][C@@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000298851802 260164722 /nfs/dbraw/zinc/16/47/22/260164722.db2.gz DAOFMJCPIUWDMV-JTQLQIEISA-N 1 1 261.300 3.021 20 30 CGEDMO C=CCCCCCN(C)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363418217 260255967 /nfs/dbraw/zinc/25/59/67/260255967.db2.gz NRWVMOBTMFMIHL-HZPDHXFCSA-N 1 1 293.455 3.001 20 30 CGEDMO COc1cccc([C@@H]2CCC[N@H+]2CCCSCC#N)c1 ZINC000080625868 260317120 /nfs/dbraw/zinc/31/71/20/260317120.db2.gz DOGKYQLUFGCJOQ-INIZCTEOSA-N 1 1 290.432 3.479 20 30 CGEDMO C#CC[N@H+](Cc1cnc([C@H]2CCCO2)s1)C1CCCC1 ZINC000490913192 261245352 /nfs/dbraw/zinc/24/53/52/261245352.db2.gz CHVPTBBUXDPCHR-OAHLLOKOSA-N 1 1 290.432 3.372 20 30 CGEDMO C#CC[N@@H+](Cc1cnc([C@H]2CCCO2)s1)C1CCCC1 ZINC000490913192 261245354 /nfs/dbraw/zinc/24/53/54/261245354.db2.gz CHVPTBBUXDPCHR-OAHLLOKOSA-N 1 1 290.432 3.372 20 30 CGEDMO Clc1ccc(C#CC[N@H+]2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC000464899052 261248269 /nfs/dbraw/zinc/24/82/69/261248269.db2.gz SAXLZHRDXJBVMV-GASCZTMLSA-N 1 1 259.780 3.423 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1cc2cc(OC)ccc2o1 ZINC000184082235 262007087 /nfs/dbraw/zinc/00/70/87/262007087.db2.gz WCZJNTZCEKLVEM-LBPRGKRZSA-N 1 1 258.321 3.223 20 30 CGEDMO COc1cc(Cl)cc(C[N@H+](CCC#N)CC2CC2)c1O ZINC000184688894 262026345 /nfs/dbraw/zinc/02/63/45/262026345.db2.gz WPLAPRHAHPHRHR-UHFFFAOYSA-N 1 1 294.782 3.180 20 30 CGEDMO COc1cc(Cl)cc(C[N@@H+](CCC#N)CC2CC2)c1O ZINC000184688894 262026347 /nfs/dbraw/zinc/02/63/47/262026347.db2.gz WPLAPRHAHPHRHR-UHFFFAOYSA-N 1 1 294.782 3.180 20 30 CGEDMO C=CCC1(C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)CCC1 ZINC000364930572 262265040 /nfs/dbraw/zinc/26/50/40/262265040.db2.gz OKQRCJYSZRTASF-UHFFFAOYSA-N 1 1 296.374 3.261 20 30 CGEDMO COCC[C@H]1CCCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000365256630 262355635 /nfs/dbraw/zinc/35/56/35/262355635.db2.gz OKOFSMXFYHSSON-GOSISDBHSA-N 1 1 271.404 3.177 20 30 CGEDMO CC[N@@H+](CCCC1(C#N)CCOCC1)C1CCCC1 ZINC000337141493 262426021 /nfs/dbraw/zinc/42/60/21/262426021.db2.gz SGZNCYAEVQKKKN-UHFFFAOYSA-N 1 1 264.413 3.351 20 30 CGEDMO CCN(C(=O)[C@H](C)[NH+]1CCC(C)(C#N)CC1)c1ccccc1 ZINC000272589949 263007248 /nfs/dbraw/zinc/00/72/48/263007248.db2.gz PKZLJJJXGBTUIM-HNNXBMFYSA-N 1 1 299.418 3.054 20 30 CGEDMO C[C@H](CCC#N)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000276254987 263035217 /nfs/dbraw/zinc/03/52/17/263035217.db2.gz ADEIPUNRTPVIST-SJORKVTESA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@H](CCC#N)[N@@H+]1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000276254987 263035218 /nfs/dbraw/zinc/03/52/18/263035218.db2.gz ADEIPUNRTPVIST-SJORKVTESA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000276254987 263035219 /nfs/dbraw/zinc/03/52/19/263035219.db2.gz ADEIPUNRTPVIST-SJORKVTESA-N 1 1 285.435 3.275 20 30 CGEDMO CC(C)(C#N)c1ccc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)cc1 ZINC000279430651 263055314 /nfs/dbraw/zinc/05/53/14/263055314.db2.gz GQXYCVVADXFSDH-MRXNPFEDSA-N 1 1 297.402 3.053 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)Cc1ccccc1SC ZINC000280582966 263063094 /nfs/dbraw/zinc/06/30/94/263063094.db2.gz WERVFRXFVORFNJ-AWEZNQCLSA-N 1 1 265.422 3.167 20 30 CGEDMO N#CC1(CCC[N@@H+](Cc2ccncc2)C2CC2)CCOCC1 ZINC000281898951 263072864 /nfs/dbraw/zinc/07/28/64/263072864.db2.gz FLMPSNJDVWHPBS-UHFFFAOYSA-N 1 1 299.418 3.147 20 30 CGEDMO N#CC1(CCC[N@@H+](Cc2ccccn2)C2CC2)CCOCC1 ZINC000282122756 263074532 /nfs/dbraw/zinc/07/45/32/263074532.db2.gz XYHALDSEFSYCPR-UHFFFAOYSA-N 1 1 299.418 3.147 20 30 CGEDMO Cc1c(Cl)cccc1N1CCC[N@@H+](CCCC#N)CC1 ZINC000284765694 263087808 /nfs/dbraw/zinc/08/78/08/263087808.db2.gz MJPSMGUOMOROES-UHFFFAOYSA-N 1 1 291.826 3.464 20 30 CGEDMO N#CCSCCC[N@H+]1Cc2cccc(Cl)c2C1 ZINC000287219369 263101479 /nfs/dbraw/zinc/10/14/79/263101479.db2.gz FJAPKLQJLOMLOK-UHFFFAOYSA-N 1 1 266.797 3.302 20 30 CGEDMO N#CCSCCC[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000287219369 263101478 /nfs/dbraw/zinc/10/14/78/263101478.db2.gz FJAPKLQJLOMLOK-UHFFFAOYSA-N 1 1 266.797 3.302 20 30 CGEDMO C=CCN(CC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1F ZINC000340371346 263120325 /nfs/dbraw/zinc/12/03/25/263120325.db2.gz JZMZETVRLRDDLD-INIZCTEOSA-N 1 1 276.399 3.298 20 30 CGEDMO C=CCN(CC[C@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000340371821 263120607 /nfs/dbraw/zinc/12/06/07/263120607.db2.gz QLCIMNAABWQDHH-QGZVFWFLSA-N 1 1 258.409 3.159 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@H](COCc3ccccc3)C2)C1 ZINC000292718349 263134164 /nfs/dbraw/zinc/13/41/64/263134164.db2.gz FQTOWAGACGWBAO-SQNIBIBYSA-N 1 1 284.403 3.217 20 30 CGEDMO COc1ccc([C@@H]2CC[N@H+]([C@H]3CC[C@H](C#N)C3)C2)cc1 ZINC000292983401 263136860 /nfs/dbraw/zinc/13/68/60/263136860.db2.gz FMEAIIFOPIGTOS-IMJJTQAJSA-N 1 1 270.376 3.177 20 30 CGEDMO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1[C@H]1CC[C@@H](C#N)C1 ZINC000293482089 263141591 /nfs/dbraw/zinc/14/15/91/263141591.db2.gz FWJZETBLUYEOHJ-CPUCHLNUSA-N 1 1 287.382 3.028 20 30 CGEDMO CC[N@H+](CCC#N)C[C@H](C)c1cc(F)cc(F)c1 ZINC000294493494 263163153 /nfs/dbraw/zinc/16/31/53/263163153.db2.gz AAKXNAJDPNLORU-NSHDSACASA-N 1 1 252.308 3.304 20 30 CGEDMO CC[N@@H+](CCC#N)C[C@H](C)c1cc(F)cc(F)c1 ZINC000294493494 263163155 /nfs/dbraw/zinc/16/31/55/263163155.db2.gz AAKXNAJDPNLORU-NSHDSACASA-N 1 1 252.308 3.304 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cnc(Br)s1 ZINC000295097367 263172391 /nfs/dbraw/zinc/17/23/91/263172391.db2.gz SWYXSCRVFKVWCS-UHFFFAOYSA-N 1 1 275.215 3.304 20 30 CGEDMO C[C@@H]1Cc2c([nH+]cn2Cc2ccc(OCC#N)cc2)C[C@@H]1C ZINC000296028738 263185079 /nfs/dbraw/zinc/18/50/79/263185079.db2.gz RUIRKLXLRNBSCD-UONOGXRCSA-N 1 1 295.386 3.205 20 30 CGEDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@H](C)CCC#N ZINC000297921869 263212112 /nfs/dbraw/zinc/21/21/12/263212112.db2.gz QMJOWSYZLNGALA-CYBMUJFWSA-N 1 1 276.380 3.218 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000341096757 263321674 /nfs/dbraw/zinc/32/16/74/263321674.db2.gz AASAQHPTLNIANJ-HOTGVXAUSA-N 1 1 275.440 3.419 20 30 CGEDMO C=CC[C@@H](CC)NC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000341432043 263338141 /nfs/dbraw/zinc/33/81/41/263338141.db2.gz CVJXKDRLLXIKHF-HZPDHXFCSA-N 1 1 295.471 3.008 20 30 CGEDMO C#CCCOc1ccc(C[NH2+][C@@H](COC)c2ccco2)cc1 ZINC000080239391 264392149 /nfs/dbraw/zinc/39/21/49/264392149.db2.gz ZOGUPYRBBFFATO-KRWDZBQOSA-N 1 1 299.370 3.159 20 30 CGEDMO CO[C@]1(C)CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000280641112 264456152 /nfs/dbraw/zinc/45/61/52/264456152.db2.gz YGBYANHPDGJWON-QGZVFWFLSA-N 1 1 275.367 3.068 20 30 CGEDMO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1noc(COC(C)C)n1 ZINC000290827051 264795196 /nfs/dbraw/zinc/79/51/96/264795196.db2.gz HFVOALSENUOXOE-XQQFMLRXSA-N 1 1 281.400 3.246 20 30 CGEDMO CC[C@H]1CCC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000036169547 270027930 /nfs/dbraw/zinc/02/79/30/270027930.db2.gz APICIJROHHFTPK-HNNXBMFYSA-N 1 1 272.392 3.449 20 30 CGEDMO CC[C@H](C)C[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000037173147 270028661 /nfs/dbraw/zinc/02/86/61/270028661.db2.gz NSUJSLLIFVMJJP-AWEZNQCLSA-N 1 1 260.381 3.305 20 30 CGEDMO O[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C2(CCC2)C1 ZINC000334967044 265081957 /nfs/dbraw/zinc/08/19/57/265081957.db2.gz LCQYLFHXUSHJSK-MRXNPFEDSA-N 1 1 289.806 3.071 20 30 CGEDMO N#CC1(CCC[N@H+]2CCC[C@@H]2c2cccnc2)CCOCC1 ZINC000346980336 265123541 /nfs/dbraw/zinc/12/35/41/265123541.db2.gz VMUBEVHSYIYYML-QGZVFWFLSA-N 1 1 299.418 3.319 20 30 CGEDMO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1ccc(C#N)cn1 ZINC000519806572 270098103 /nfs/dbraw/zinc/09/81/03/270098103.db2.gz UIELCVGXXVEPPD-BBRMVZONSA-N 1 1 295.361 3.470 20 30 CGEDMO C=CCOc1cccc(C[N@H+](CCO)[C@@H]2CC[C@@H](C)C2)c1 ZINC000356363310 266101395 /nfs/dbraw/zinc/10/13/95/266101395.db2.gz LLAPELJJTAAJIV-NVXWUHKLSA-N 1 1 289.419 3.234 20 30 CGEDMO C=CCOc1ccccc1C[NH+]1CC2(CCC2(F)F)C1 ZINC000356535298 266132812 /nfs/dbraw/zinc/13/28/12/266132812.db2.gz XZEHPFSWMRNPHA-UHFFFAOYSA-N 1 1 279.330 3.483 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000357802460 266365745 /nfs/dbraw/zinc/36/57/45/266365745.db2.gz VLIZZUKUMBXSFW-HNNXBMFYSA-N 1 1 255.365 3.249 20 30 CGEDMO C[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ncccc1F ZINC000528037959 270152894 /nfs/dbraw/zinc/15/28/94/270152894.db2.gz NGYKZISBTGCGQP-ZBEGNZNMSA-N 1 1 281.334 3.430 20 30 CGEDMO C[C@H](CCN(C)C)[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360837728 267150090 /nfs/dbraw/zinc/15/00/90/267150090.db2.gz RBDRICJRCOOSEW-KDOFPFPSSA-N 1 1 285.435 3.256 20 30 CGEDMO CC[C@H](C)[C@H](C)[N@@H+](Cc1ccc(C#N)cn1)C1CC1 ZINC000519759850 267205944 /nfs/dbraw/zinc/20/59/44/267205944.db2.gz PCDYKTNNFJNEFP-STQMWFEESA-N 1 1 257.381 3.352 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000369319114 267235585 /nfs/dbraw/zinc/23/55/85/267235585.db2.gz KKFRDEOAJVFLFV-JYJNAYRXSA-N 1 1 267.413 3.001 20 30 CGEDMO C=C(C)CN(C)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000370724838 267341770 /nfs/dbraw/zinc/34/17/70/267341770.db2.gz MWPFGDZETZWYKK-INIZCTEOSA-N 1 1 293.455 3.001 20 30 CGEDMO C=CCOc1ccc(C[NH2+]CC2(C#N)CCC2)cc1OC ZINC000418141763 267363504 /nfs/dbraw/zinc/36/35/04/267363504.db2.gz LSLWTJLPGNYBRP-UHFFFAOYSA-N 1 1 286.375 3.043 20 30 CGEDMO N#CC1(C[NH2+]Cc2cc(F)cc(Cl)c2)CCC1 ZINC000418143495 267364806 /nfs/dbraw/zinc/36/48/06/267364806.db2.gz PTENAUXCZFQCSA-UHFFFAOYSA-N 1 1 252.720 3.263 20 30 CGEDMO COc1cc(C[NH2+]CC2(C#N)CCC2)ccc1SC ZINC000418135393 267368153 /nfs/dbraw/zinc/36/81/53/267368153.db2.gz APNKVDZMFPEUEG-UHFFFAOYSA-N 1 1 276.405 3.201 20 30 CGEDMO CO[C@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000374666096 267807235 /nfs/dbraw/zinc/80/72/35/267807235.db2.gz UBNAUDHNNZFRDK-INIZCTEOSA-N 1 1 286.419 3.489 20 30 CGEDMO N#Cc1ccc(CNC[C@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC000527752539 268233035 /nfs/dbraw/zinc/23/30/35/268233035.db2.gz OBESWZYUHKXEST-GOSISDBHSA-N 1 1 283.419 3.055 20 30 CGEDMO N#Cc1ccc(CNC[C@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000527752539 268233037 /nfs/dbraw/zinc/23/30/37/268233037.db2.gz OBESWZYUHKXEST-GOSISDBHSA-N 1 1 283.419 3.055 20 30 CGEDMO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CCSC1 ZINC000494948778 269560141 /nfs/dbraw/zinc/56/01/41/269560141.db2.gz CQDCCRLYTONOIW-INIZCTEOSA-N 1 1 272.417 3.299 20 30 CGEDMO CC1(C)CC(N[C@H]2CCc3ccc(C#N)cc32)CC(C)(C)[NH2+]1 ZINC000353385401 273579061 /nfs/dbraw/zinc/57/90/61/273579061.db2.gz MBZIKSMTVPXTPR-KRWDZBQOSA-N 1 1 297.446 3.444 20 30 CGEDMO CC[N@@H+](C[C@@H]1CCCOC1)[C@H](C)c1ccc(C#N)cc1 ZINC000336822945 276136509 /nfs/dbraw/zinc/13/65/09/276136509.db2.gz NNHJJGUKJBOSKT-ZBFHGGJFSA-N 1 1 272.392 3.368 20 30 CGEDMO CCn1ccnc1[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000296098179 276717561 /nfs/dbraw/zinc/71/75/61/276717561.db2.gz UEQDKEGWPCUWJG-CHWSQXEVSA-N 1 1 268.364 3.186 20 30 CGEDMO C[N@H+]1CCC[C@H]2CN(c3c(Cl)cccc3C#N)CC[C@H]21 ZINC000301657022 277084427 /nfs/dbraw/zinc/08/44/27/277084427.db2.gz BFBRFNSEBRCQRV-DZGCQCFKSA-N 1 1 289.810 3.132 20 30 CGEDMO COC[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000452074916 277251694 /nfs/dbraw/zinc/25/16/94/277251694.db2.gz CQPKMIWPKHEASL-GOEBONIOSA-N 1 1 272.392 3.368 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000411874340 278306059 /nfs/dbraw/zinc/30/60/59/278306059.db2.gz MEIWBPMZFZFMHO-DYVFJYSZSA-N 1 1 270.376 3.120 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000411874340 278306060 /nfs/dbraw/zinc/30/60/60/278306060.db2.gz MEIWBPMZFZFMHO-DYVFJYSZSA-N 1 1 270.376 3.120 20 30 CGEDMO C[C@H]1CN(c2ccc(F)cc2C#N)CC[N@H+](C2CCC2)C1 ZINC000292405282 300297263 /nfs/dbraw/zinc/29/72/63/300297263.db2.gz VEYSVTDYOSQXDD-CYBMUJFWSA-N 1 1 287.382 3.008 20 30 CGEDMO C=C(C)C[NH+]1CCC(NCc2cc(C)sc2C)CC1 ZINC000531612369 328019116 /nfs/dbraw/zinc/01/91/16/328019116.db2.gz CJZJODLBWSDHQE-UHFFFAOYSA-N 1 1 278.465 3.495 20 30 CGEDMO C=CCC[N@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000336703079 328129956 /nfs/dbraw/zinc/12/99/56/328129956.db2.gz FVFAWITVZXRGLS-MSOLQXFVSA-N 1 1 270.420 3.016 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000336703079 328129957 /nfs/dbraw/zinc/12/99/57/328129957.db2.gz FVFAWITVZXRGLS-MSOLQXFVSA-N 1 1 270.420 3.016 20 30 CGEDMO C[N@@H+](Cc1ccc(OCC#N)cc1)C(C1CC1)C1CC1 ZINC000264550902 328160153 /nfs/dbraw/zinc/16/01/53/328160153.db2.gz LEHKKVLKUSFHIY-UHFFFAOYSA-N 1 1 270.376 3.209 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C)CCCCCOc1ccccc1 ZINC000275665261 328215868 /nfs/dbraw/zinc/21/58/68/328215868.db2.gz FFSNMDOEOWTTLZ-HNNXBMFYSA-N 1 1 260.381 3.327 20 30 CGEDMO COc1ccc(CCC[N@@H+](C)[C@@H](C)CCC#N)cc1 ZINC000276363439 328218129 /nfs/dbraw/zinc/21/81/29/328218129.db2.gz ZESIURDVGGXOSP-AWEZNQCLSA-N 1 1 260.381 3.252 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@H+](C)[C@H](C)CC)c1C ZINC000177594123 329187867 /nfs/dbraw/zinc/18/78/67/329187867.db2.gz NXTRYLLUWGZSNT-GFCCVEGCSA-N 1 1 262.397 3.204 20 30 CGEDMO Cn1c[nH+]c2cc(N[C@@H]3CCC[C@H](C#N)C3)ccc21 ZINC000278613454 328228407 /nfs/dbraw/zinc/22/84/07/328228407.db2.gz FTUJRSVSRBXSJY-NWDGAFQWSA-N 1 1 254.337 3.068 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000178067769 329192217 /nfs/dbraw/zinc/19/22/17/329192217.db2.gz UXOIJECRUFONTM-AWEZNQCLSA-N 1 1 287.325 3.464 20 30 CGEDMO CC[N@@H+](Cc1ccc(OC)cc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000293556652 328276554 /nfs/dbraw/zinc/27/65/54/328276554.db2.gz RQNWZLUEEUEKCA-HUUCEWRRSA-N 1 1 258.365 3.209 20 30 CGEDMO CC[N@@H+](Cc1ccc(OC)cc1)[C@@H]1CC[C@H](C#N)C1 ZINC000293556655 328276567 /nfs/dbraw/zinc/27/65/67/328276567.db2.gz RQNWZLUEEUEKCA-LSDHHAIUSA-N 1 1 258.365 3.209 20 30 CGEDMO C=C(C)C[NH2+]Cc1csc(COc2ccccc2)n1 ZINC000119663074 328306912 /nfs/dbraw/zinc/30/69/12/328306912.db2.gz IUDPXBHVQYUONG-UHFFFAOYSA-N 1 1 274.389 3.388 20 30 CGEDMO CCC[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000564088810 322020306 /nfs/dbraw/zinc/02/03/06/322020306.db2.gz CFQRQLWDXKLOOU-NSHDSACASA-N 1 1 261.325 3.087 20 30 CGEDMO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000565043467 322056725 /nfs/dbraw/zinc/05/67/25/322056725.db2.gz HLFAKVWNGQOSLJ-FRRDWIJNSA-N 1 1 287.363 3.333 20 30 CGEDMO CC1(C)C[N@H+](Cc2ccc(C#N)cn2)Cc2ccccc21 ZINC000565161714 322063419 /nfs/dbraw/zinc/06/34/19/322063419.db2.gz GARCMTXOWQTWNZ-UHFFFAOYSA-N 1 1 277.371 3.247 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cn2)Cc2ccccc21 ZINC000565161714 322063421 /nfs/dbraw/zinc/06/34/21/322063421.db2.gz GARCMTXOWQTWNZ-UHFFFAOYSA-N 1 1 277.371 3.247 20 30 CGEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2N[C@@H]1CCCC[C@H]1[NH3+] ZINC000568501448 322211417 /nfs/dbraw/zinc/21/14/17/322211417.db2.gz NOTRFKCXXPCCIZ-FGTMMUONSA-N 1 1 283.419 3.185 20 30 CGEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CCCC[C@H]1N ZINC000568501448 322211418 /nfs/dbraw/zinc/21/14/18/322211418.db2.gz NOTRFKCXXPCCIZ-FGTMMUONSA-N 1 1 283.419 3.185 20 30 CGEDMO CC[C@@H](C)[C@@H](C)[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000569464500 322248216 /nfs/dbraw/zinc/24/82/16/322248216.db2.gz HTLXCZBQVCOERC-ZIAGYGMSSA-N 1 1 299.418 3.396 20 30 CGEDMO C[C@H]([N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-])C(C)(C)C ZINC000570141421 322266006 /nfs/dbraw/zinc/26/60/06/322266006.db2.gz UVMMJJLEEBVGDB-NSHDSACASA-N 1 1 275.352 3.333 20 30 CGEDMO C[C@H]([N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-])C(C)(C)C ZINC000570141421 322266007 /nfs/dbraw/zinc/26/60/07/322266007.db2.gz UVMMJJLEEBVGDB-NSHDSACASA-N 1 1 275.352 3.333 20 30 CGEDMO CC[C@@]1(C)CCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000573448207 322388312 /nfs/dbraw/zinc/38/83/12/322388312.db2.gz HPAZAKCDBGKVNK-INIZCTEOSA-N 1 1 287.363 3.479 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000573448751 322388369 /nfs/dbraw/zinc/38/83/69/322388369.db2.gz JWUMAEQUUAYKFR-UHOFOFEASA-N 1 1 299.374 3.477 20 30 CGEDMO CC[N@@H+](CCCCOc1ccccc1)C[C@H](C)C#N ZINC000357608256 327077281 /nfs/dbraw/zinc/07/72/81/327077281.db2.gz MOVXTRNYOXWDHT-OAHLLOKOSA-N 1 1 260.381 3.327 20 30 CGEDMO Cc1c2ccccc2n(C)c1C[NH2+]C[C@H](C#N)CCC#N ZINC000558786801 327120373 /nfs/dbraw/zinc/12/03/73/327120373.db2.gz ISAILMKLKNVXHX-AWEZNQCLSA-N 1 1 280.375 3.020 20 30 CGEDMO C=CCOCC[N@H+]1CCCC[C@H]1c1nc2ccccc2n1C ZINC000559144702 327142915 /nfs/dbraw/zinc/14/29/15/327142915.db2.gz SUHJDCMUOWZUMX-KRWDZBQOSA-N 1 1 299.418 3.303 20 30 CGEDMO C=CCOCC[N@@H+]1CCCC[C@H]1c1nc2ccccc2n1C ZINC000559144702 327142917 /nfs/dbraw/zinc/14/29/17/327142917.db2.gz SUHJDCMUOWZUMX-KRWDZBQOSA-N 1 1 299.418 3.303 20 30 CGEDMO CC[C@H]1C[C@@H](C)C[N@H+]1CCCC1(C#N)CCOCC1 ZINC000410388761 327190864 /nfs/dbraw/zinc/19/08/64/327190864.db2.gz RXRPSSLVOITYLI-CABCVRRESA-N 1 1 264.413 3.207 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000150902997 327397000 /nfs/dbraw/zinc/39/70/00/327397000.db2.gz UCRJLZWNTCPBPP-DOTOQJQBSA-N 1 1 293.455 3.108 20 30 CGEDMO C=C1CC[NH+](CC(=O)N[C@@H](C)c2ccccc2Cl)CC1 ZINC000519443804 328673669 /nfs/dbraw/zinc/67/36/69/328673669.db2.gz FNJQDJCFSNULCB-ZDUSSCGKSA-N 1 1 292.810 3.169 20 30 CGEDMO C=CCCC[N@H+]1Cc2ccccc2C[C@H]1c1nnc(C)o1 ZINC000377791446 329029525 /nfs/dbraw/zinc/02/95/25/329029525.db2.gz FIFMXYTVYANBFV-INIZCTEOSA-N 1 1 283.375 3.444 20 30 CGEDMO C=CCCC[N@@H+]1Cc2ccccc2C[C@H]1c1nnc(C)o1 ZINC000377791446 329029526 /nfs/dbraw/zinc/02/95/26/329029526.db2.gz FIFMXYTVYANBFV-INIZCTEOSA-N 1 1 283.375 3.444 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@H+]2CC[C@@H](C3CC3)C2)cc1 ZINC000378351193 329047218 /nfs/dbraw/zinc/04/72/18/329047218.db2.gz WESMSLOYWASAQM-QGZVFWFLSA-N 1 1 283.419 3.268 20 30 CGEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1nc(C)cs1 ZINC000172654135 329136277 /nfs/dbraw/zinc/13/62/77/329136277.db2.gz VDXAJJBUSDHLTG-UHFFFAOYSA-N 1 1 281.425 3.068 20 30 CGEDMO N#CCSCCC[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000173868573 329153158 /nfs/dbraw/zinc/15/31/58/329153158.db2.gz PTPZMPBBSNKOPT-INIZCTEOSA-N 1 1 292.423 3.479 20 30 CGEDMO CN(C)c1cccc([C@H]2CCC[N@H+]2CCCC#N)c1 ZINC000173896880 329153227 /nfs/dbraw/zinc/15/32/27/329153227.db2.gz CPBMDGAMQWNGKZ-MRXNPFEDSA-N 1 1 257.381 3.193 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000178067502 329192357 /nfs/dbraw/zinc/19/23/57/329192357.db2.gz ONVRORRVHAYSCS-SJORKVTESA-N 1 1 277.383 3.160 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(OCCC)c(OC)c1 ZINC000181049129 329225575 /nfs/dbraw/zinc/22/55/75/329225575.db2.gz FFXGWKOOMAYTGC-UHFFFAOYSA-N 1 1 263.381 3.492 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000181262339 329228403 /nfs/dbraw/zinc/22/84/03/329228403.db2.gz KDWMBNMHKFXAMM-NSHDSACASA-N 1 1 298.333 3.123 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000181262339 329228405 /nfs/dbraw/zinc/22/84/05/329228405.db2.gz KDWMBNMHKFXAMM-NSHDSACASA-N 1 1 298.333 3.123 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000181262351 329228564 /nfs/dbraw/zinc/22/85/64/329228564.db2.gz KDWMBNMHKFXAMM-LLVKDONJSA-N 1 1 298.333 3.123 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000181262351 329228565 /nfs/dbraw/zinc/22/85/65/329228565.db2.gz KDWMBNMHKFXAMM-LLVKDONJSA-N 1 1 298.333 3.123 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000181287287 329229628 /nfs/dbraw/zinc/22/96/28/329229628.db2.gz DURNMDCUTYEVKB-QGZVFWFLSA-N 1 1 286.419 3.030 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCc2cccc(Cl)c2C1 ZINC000459682464 329359533 /nfs/dbraw/zinc/35/95/33/329359533.db2.gz RUMIAONRFDGEEB-ZDUSSCGKSA-N 1 1 265.784 3.025 20 30 CGEDMO C=C(C)[C@H]([NH2+][C@H](C)C(=O)NCCC)c1ccc(F)c(F)c1 ZINC000187762977 329360525 /nfs/dbraw/zinc/36/05/25/329360525.db2.gz MLGKDDKVBUQBJL-ABAIWWIYSA-N 1 1 296.361 3.086 20 30 CGEDMO C=CC[N@H+](CCOC(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000063297534 329378550 /nfs/dbraw/zinc/37/85/50/329378550.db2.gz WCLOYPFALWXYMN-UHFFFAOYSA-N 1 1 278.352 3.008 20 30 CGEDMO C=CC[C@H](C)[C@H](C)[NH2+]CC(F)(F)c1cccc(OC)n1 ZINC000572019830 329937936 /nfs/dbraw/zinc/93/79/36/329937936.db2.gz UNEHSQWMIHKJLS-RYUDHWBXSA-N 1 1 284.350 3.372 20 30 CGEDMO C[C@@H]1C[N@H+](CCC(C)(C)C#N)C[C@@H](c2ccccc2)O1 ZINC000265971308 330063498 /nfs/dbraw/zinc/06/34/98/330063498.db2.gz BIPKMCFZKPRONX-ZBFHGGJFSA-N 1 1 272.392 3.388 20 30 CGEDMO C[C@@H]1C[N@@H+](CCC(C)(C)C#N)C[C@@H](c2ccccc2)O1 ZINC000265971308 330063500 /nfs/dbraw/zinc/06/35/00/330063500.db2.gz BIPKMCFZKPRONX-ZBFHGGJFSA-N 1 1 272.392 3.388 20 30 CGEDMO C=CCC[N@H+](C)Cc1cccc(OC)c1OC(F)F ZINC000276187949 330112381 /nfs/dbraw/zinc/11/23/81/330112381.db2.gz WIJDQNGZVUNHSU-UHFFFAOYSA-N 1 1 271.307 3.305 20 30 CGEDMO C=CCC1(C[NH2+][C@@H]2CCCCC[C@@H]2N)CCCC1 ZINC000423162759 330173919 /nfs/dbraw/zinc/17/39/19/330173919.db2.gz PYQRGUMZJSBXIJ-LSDHHAIUSA-N 1 1 250.430 3.373 20 30 CGEDMO C=CCC1(C[NH2+][C@H]2CCCCC[C@@H]2N)CCCC1 ZINC000423162757 330173861 /nfs/dbraw/zinc/17/38/61/330173861.db2.gz PYQRGUMZJSBXIJ-GJZGRUSLSA-N 1 1 250.430 3.373 20 30 CGEDMO C=CCC1(C[NH2+][C@H]2CCCCC[C@H]2N)CCCC1 ZINC000423162756 330173870 /nfs/dbraw/zinc/17/38/70/330173870.db2.gz PYQRGUMZJSBXIJ-CABCVRRESA-N 1 1 250.430 3.373 20 30 CGEDMO COc1ccc(C[N@@H+]2[C@H](C)C[C@@H]2C)cc1OCCCC#N ZINC000527529535 330258141 /nfs/dbraw/zinc/25/81/41/330258141.db2.gz ZUCROOANRCLJMD-OKILXGFUSA-N 1 1 288.391 3.360 20 30 CGEDMO C=C(C)COc1cc(C[NH+]2CC3(CC3)C2)ccc1OC ZINC000449371141 330919492 /nfs/dbraw/zinc/91/94/92/330919492.db2.gz QRNAIFDXFZBTRU-UHFFFAOYSA-N 1 1 273.376 3.246 20 30 CGEDMO C=CCOc1ccc(C[NH2+]Cc2cnc(CCC)o2)cc1 ZINC000449612625 330939704 /nfs/dbraw/zinc/93/97/04/330939704.db2.gz NLNPODUSDKAGNG-UHFFFAOYSA-N 1 1 286.375 3.482 20 30 CGEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@H+]2CC2(C#N)CCC2)C1 ZINC000450895826 331005523 /nfs/dbraw/zinc/00/55/23/331005523.db2.gz LZTQVYNYXDDETC-NCOADZHNSA-N 1 1 290.451 3.332 20 30 CGEDMO CCCn1nccc1C1CC[NH+](CC2(C#N)CCC2)CC1 ZINC000450931117 331007866 /nfs/dbraw/zinc/00/78/66/331007866.db2.gz YTOPCBHJFGEBSX-UHFFFAOYSA-N 1 1 286.423 3.166 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000451216145 331020819 /nfs/dbraw/zinc/02/08/19/331020819.db2.gz MHVZNLYIKNVLPC-GJZGRUSLSA-N 1 1 280.456 3.345 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451702073 331039565 /nfs/dbraw/zinc/03/95/65/331039565.db2.gz RVDPNRQYUKKRDD-OWCLPIDISA-N 1 1 278.440 3.189 20 30 CGEDMO N#CCCC[N@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000451977997 331049190 /nfs/dbraw/zinc/04/91/90/331049190.db2.gz NZOXRUJZPQUZAK-AWEZNQCLSA-N 1 1 250.292 3.405 20 30 CGEDMO N#CCCC[N@@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000451977997 331049191 /nfs/dbraw/zinc/04/91/91/331049191.db2.gz NZOXRUJZPQUZAK-AWEZNQCLSA-N 1 1 250.292 3.405 20 30 CGEDMO C[C@]12C[N@@H+](CCCSCC#N)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000452041827 331051739 /nfs/dbraw/zinc/05/17/39/331051739.db2.gz DJTSMWQZSADOAX-LXTVHRRPSA-N 1 1 264.438 3.001 20 30 CGEDMO C=CCC1(NC(=O)[C@@H]2CCCc3[nH+]ccn32)CCCCC1 ZINC000456369548 331191440 /nfs/dbraw/zinc/19/14/40/331191440.db2.gz QMOUBYHSPLMFST-AWEZNQCLSA-N 1 1 287.407 3.156 20 30 CGEDMO C[C@H]([NH2+]CC#Cc1ccccc1)c1nc2c(s1)CCC2 ZINC000459636628 331291527 /nfs/dbraw/zinc/29/15/27/331291527.db2.gz WNKPKFBPHKQAJM-ZDUSSCGKSA-N 1 1 282.412 3.334 20 30 CGEDMO C=CCC[C@@H](C)[NH2+][C@@H](CCC)C(=O)OC(C)(C)C ZINC000462848088 331332511 /nfs/dbraw/zinc/33/25/11/331332511.db2.gz MABWOPMCOALTLG-OLZOCXBDSA-N 1 1 255.402 3.441 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CCCC[N@@H+]1CCCC ZINC000464448140 331360916 /nfs/dbraw/zinc/36/09/16/331360916.db2.gz NMUJJGYATKYYQX-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCNC(=O)C[N@@H+]1CCCC[C@H]1c1cccc(C)c1C ZINC000464781502 331367787 /nfs/dbraw/zinc/36/77/87/331367787.db2.gz SPNASCOOWAGUMV-KRWDZBQOSA-N 1 1 286.419 3.133 20 30 CGEDMO Clc1ccc(C#CC[N@H+]2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000464850234 331371181 /nfs/dbraw/zinc/37/11/81/331371181.db2.gz JEDXENQNJQVAFG-WBVHZDCISA-N 1 1 289.806 3.192 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(SC)cc1 ZINC000489460146 332053831 /nfs/dbraw/zinc/05/38/31/332053831.db2.gz USALSVBPKSGGCK-AWEZNQCLSA-N 1 1 290.432 3.388 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(SC)cc1 ZINC000489460146 332053832 /nfs/dbraw/zinc/05/38/32/332053832.db2.gz USALSVBPKSGGCK-AWEZNQCLSA-N 1 1 290.432 3.388 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(-c2ccco2)on1 ZINC000489474043 332054890 /nfs/dbraw/zinc/05/48/90/332054890.db2.gz IDIPRZDWPCXZQW-ZDUSSCGKSA-N 1 1 258.321 3.475 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1cc(-c2ccco2)on1 ZINC000489474043 332054891 /nfs/dbraw/zinc/05/48/91/332054891.db2.gz IDIPRZDWPCXZQW-ZDUSSCGKSA-N 1 1 258.321 3.475 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000489477154 332054959 /nfs/dbraw/zinc/05/49/59/332054959.db2.gz OAQHBHKTABKTIQ-CJNGLKHVSA-N 1 1 290.382 3.043 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000489477154 332054960 /nfs/dbraw/zinc/05/49/60/332054960.db2.gz OAQHBHKTABKTIQ-CJNGLKHVSA-N 1 1 290.382 3.043 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1cn2c(cccc2C)n1 ZINC000489500611 332057047 /nfs/dbraw/zinc/05/70/47/332057047.db2.gz SMWXIDYHAODWSR-HNNXBMFYSA-N 1 1 255.365 3.183 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cn2c(cccc2C)n1 ZINC000489500611 332057048 /nfs/dbraw/zinc/05/70/48/332057048.db2.gz SMWXIDYHAODWSR-HNNXBMFYSA-N 1 1 255.365 3.183 20 30 CGEDMO C=CC[N@H+](CCC)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490056630 332079036 /nfs/dbraw/zinc/07/90/36/332079036.db2.gz QHAYNSCLVPTOAM-AWEZNQCLSA-N 1 1 260.381 3.220 20 30 CGEDMO C#CC[N@H+](Cc1ncc(C2CC2)o1)C1CCCCC1 ZINC000490892582 332125745 /nfs/dbraw/zinc/12/57/45/332125745.db2.gz MGRXOOOFLFFJNJ-UHFFFAOYSA-N 1 1 258.365 3.320 20 30 CGEDMO C#CC[N@@H+](Cc1ncc(C2CC2)o1)C1CCCCC1 ZINC000490892582 332125746 /nfs/dbraw/zinc/12/57/46/332125746.db2.gz MGRXOOOFLFFJNJ-UHFFFAOYSA-N 1 1 258.365 3.320 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)C[C@H]1CCO[C@H](C)C1 ZINC000491069878 332145846 /nfs/dbraw/zinc/14/58/46/332145846.db2.gz YTNZRTXYCXANPR-WBVHZDCISA-N 1 1 259.393 3.490 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)CC2CCC(F)(F)CC2)n1 ZINC000491494719 332222206 /nfs/dbraw/zinc/22/22/06/332222206.db2.gz FAFWYQASVNUNSO-UHFFFAOYSA-N 1 1 295.377 3.164 20 30 CGEDMO C=CCCCCC[N@H+]1CCOc2cc(O)ccc2C1 ZINC000513123141 333005395 /nfs/dbraw/zinc/00/53/95/333005395.db2.gz SASFGFFPALUIGD-UHFFFAOYSA-N 1 1 261.365 3.333 20 30 CGEDMO CO[C@]1(C)C[C@H]([N@@H+](C)CCCC(C)(C)C#N)C1(C)C ZINC000174882510 333009919 /nfs/dbraw/zinc/00/99/19/333009919.db2.gz IDEFGQKMSXPBCW-XJKSGUPXSA-N 1 1 266.429 3.452 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000174986652 333012360 /nfs/dbraw/zinc/01/23/60/333012360.db2.gz BBFRBBLBRNUJTB-CRAIPNDOSA-N 1 1 286.419 3.104 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000174986652 333012362 /nfs/dbraw/zinc/01/23/62/333012362.db2.gz BBFRBBLBRNUJTB-CRAIPNDOSA-N 1 1 286.419 3.104 20 30 CGEDMO C#C[C@H](CC)[NH2+]Cc1cscc1Br ZINC000308129109 333025120 /nfs/dbraw/zinc/02/51/20/333025120.db2.gz BANNPXNAWBUJLB-SECBINFHSA-N 1 1 258.184 3.012 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000177512918 333059896 /nfs/dbraw/zinc/05/98/96/333059896.db2.gz IEYDQBHOJFKXQV-HNNXBMFYSA-N 1 1 267.800 3.141 20 30 CGEDMO C=CCCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000517506451 333100800 /nfs/dbraw/zinc/10/08/00/333100800.db2.gz NLPLKZBZPJYVKF-XHSDSOJGSA-N 1 1 251.414 3.358 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000185146051 333136131 /nfs/dbraw/zinc/13/61/31/333136131.db2.gz JHCIAOJDVJYZPV-BBWFWOEESA-N 1 1 294.483 3.463 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000190610634 333209012 /nfs/dbraw/zinc/20/90/12/333209012.db2.gz NNYAOGBVDXTNCX-RDJZCZTQSA-N 1 1 280.456 3.360 20 30 CGEDMO COc1cccc2c1CC[N@H+](CC#Cc1ccccc1)C2 ZINC000192173343 333231555 /nfs/dbraw/zinc/23/15/55/333231555.db2.gz OUKHVVIEMAAQNE-UHFFFAOYSA-N 1 1 277.367 3.105 20 30 CGEDMO COc1cccc2c1CC[N@@H+](CC#Cc1ccccc1)C2 ZINC000192173343 333231556 /nfs/dbraw/zinc/23/15/56/333231556.db2.gz OUKHVVIEMAAQNE-UHFFFAOYSA-N 1 1 277.367 3.105 20 30 CGEDMO Clc1ccc(C#CC[N@H+]2CCC[C@H]2[C@H]2CCCO2)cc1 ZINC000575926858 335132259 /nfs/dbraw/zinc/13/22/59/335132259.db2.gz LHNTUQHIWIXBLD-DLBZAZTESA-N 1 1 289.806 3.335 20 30 CGEDMO CC(C)(C#N)CCCC[N@@H+](CCO)Cc1ccccc1 ZINC000232527037 333337965 /nfs/dbraw/zinc/33/79/65/333337965.db2.gz KMINTLKJDIRLBL-UHFFFAOYSA-N 1 1 274.408 3.201 20 30 CGEDMO CC#CC[NH2+][C@@H](c1ccc(OC)cc1)c1ccccc1OC ZINC000540614183 333738516 /nfs/dbraw/zinc/73/85/16/333738516.db2.gz ASZAQQXGRJRHCM-IBGZPJMESA-N 1 1 295.382 3.406 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000079502868 334155894 /nfs/dbraw/zinc/15/58/94/334155894.db2.gz XHMHYMXEXQVHQV-KRWDZBQOSA-N 1 1 259.393 3.286 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000552214691 334303974 /nfs/dbraw/zinc/30/39/74/334303974.db2.gz DEQRYCKSHVTTAU-IAQYHMDHSA-N 1 1 273.767 3.360 20 30 CGEDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CC(C)(C)C#N ZINC000552315355 334316033 /nfs/dbraw/zinc/31/60/33/334316033.db2.gz NEFOEOOLXXWXJE-MDWZMJQESA-N 1 1 287.363 3.480 20 30 CGEDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC(C)(C)C#N ZINC000552315355 334316034 /nfs/dbraw/zinc/31/60/34/334316034.db2.gz NEFOEOOLXXWXJE-MDWZMJQESA-N 1 1 287.363 3.480 20 30 CGEDMO C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1nc(C(C)(C)C)no1 ZINC000248872477 334320124 /nfs/dbraw/zinc/32/01/24/334320124.db2.gz IFHUHVSGYUIHDL-TUAOUCFPSA-N 1 1 276.384 3.100 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000249034381 334325364 /nfs/dbraw/zinc/32/53/64/334325364.db2.gz BXUPQRBSASSKFN-XYJFISCASA-N 1 1 286.419 3.150 20 30 CGEDMO Cc1ncncc1[C@@H](C)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000568413822 334823924 /nfs/dbraw/zinc/82/39/24/334823924.db2.gz ROIWEEGSWRLBKY-PBHICJAKSA-N 1 1 280.375 3.481 20 30 CGEDMO CC[C@@H](CN[C@@H](CC)c1ccc(C#N)cc1)[NH+]1CCCC1 ZINC000576460185 335206366 /nfs/dbraw/zinc/20/63/66/335206366.db2.gz RRCIWYMHTRAPOP-ROUUACIJSA-N 1 1 285.435 3.473 20 30 CGEDMO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)c2nccn21 ZINC000579437599 335755137 /nfs/dbraw/zinc/75/51/37/335755137.db2.gz AJJWHHFZUXTQLC-CSMYWGQOSA-N 1 1 292.386 3.428 20 30 CGEDMO C=CC[N@@H+](CCOC)[C@H](C)c1ccc(F)cc1F ZINC000195002586 336042483 /nfs/dbraw/zinc/04/24/83/336042483.db2.gz GYYJBPOLPJDLLM-LLVKDONJSA-N 1 1 255.308 3.160 20 30 CGEDMO C=CC[N@H+](CCOC)[C@H](C)c1ccc(F)cc1F ZINC000195002586 336042485 /nfs/dbraw/zinc/04/24/85/336042485.db2.gz GYYJBPOLPJDLLM-LLVKDONJSA-N 1 1 255.308 3.160 20 30 CGEDMO N#CCc1ccc(C[NH2+]Cc2csc(C3CC3)n2)cc1 ZINC000581309999 336045795 /nfs/dbraw/zinc/04/57/95/336045795.db2.gz CTQBQRVGNDGQFU-UHFFFAOYSA-N 1 1 283.400 3.376 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000384812557 336131767 /nfs/dbraw/zinc/13/17/67/336131767.db2.gz DOUQQABLWWZJTJ-KGLIPLIRSA-N 1 1 264.413 3.063 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437155826 534037800 /nfs/dbraw/zinc/03/78/00/534037800.db2.gz XNHMXWUMYIHFQD-SNVBAGLBSA-N 1 1 266.291 3.001 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCCOc2cccc(C#N)c2)CC1 ZINC000110804463 524224152 /nfs/dbraw/zinc/22/41/52/524224152.db2.gz HCNNHCYKSQTDHL-OAHLLOKOSA-N 1 1 272.392 3.449 20 30 CGEDMO C[C@H](C[N@@H+](C)Cc1ccccc1C#N)c1nccs1 ZINC000183953915 524301770 /nfs/dbraw/zinc/30/17/70/524301770.db2.gz MXOLMHGWLZFOBG-GFCCVEGCSA-N 1 1 271.389 3.250 20 30 CGEDMO C[C@@H]1[C@@H](C)CCC[N@H+]1CCOc1ccccc1C#N ZINC000050564769 525638997 /nfs/dbraw/zinc/63/89/97/525638997.db2.gz BXHCIWOZUYOSGC-UONOGXRCSA-N 1 1 258.365 3.057 20 30 CGEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cnccc1C ZINC000353442419 526346863 /nfs/dbraw/zinc/34/68/63/526346863.db2.gz VPMMUHVWZSLDFS-UHFFFAOYSA-N 1 1 277.371 3.450 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cnccc1C ZINC000353442419 526346868 /nfs/dbraw/zinc/34/68/68/526346868.db2.gz VPMMUHVWZSLDFS-UHFFFAOYSA-N 1 1 277.371 3.450 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2C[C@H](C)O[C@@H](CC)C2)c1 ZINC000352727843 526901962 /nfs/dbraw/zinc/90/19/62/526901962.db2.gz ZYJSMLZLQQVCRL-HOCLYGCPSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2C[C@H](C)O[C@@H](CC)C2)c1 ZINC000352727843 526901969 /nfs/dbraw/zinc/90/19/69/526901969.db2.gz ZYJSMLZLQQVCRL-HOCLYGCPSA-N 1 1 275.392 3.251 20 30 CGEDMO C=C1CC[NH+](Cc2cnc(-c3ccccn3)s2)CC1 ZINC000336561943 526904218 /nfs/dbraw/zinc/90/42/18/526904218.db2.gz YAWMYQIHVKSEDC-UHFFFAOYSA-N 1 1 271.389 3.357 20 30 CGEDMO CCC(=O)CCC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425529605 528284862 /nfs/dbraw/zinc/28/48/62/528284862.db2.gz CEBIHVWDYXIJLP-CYBMUJFWSA-N 1 1 258.365 3.310 20 30 CGEDMO CCCOc1cc(C[N@H+](C)CC(C)(C)C#N)ccc1OC ZINC000354037687 528623919 /nfs/dbraw/zinc/62/39/19/528623919.db2.gz JPMUXJSEYPPHCT-UHFFFAOYSA-N 1 1 290.407 3.466 20 30 CGEDMO CCCOc1cc(C[N@@H+](C)CC(C)(C)C#N)ccc1OC ZINC000354037687 528623922 /nfs/dbraw/zinc/62/39/22/528623922.db2.gz JPMUXJSEYPPHCT-UHFFFAOYSA-N 1 1 290.407 3.466 20 30 CGEDMO CCOCC[N@@H+](CC)Cc1ccc(C#N)cc1OC(F)F ZINC000437143224 528722947 /nfs/dbraw/zinc/72/29/47/528722947.db2.gz DGSIVWHNQOCQET-UHFFFAOYSA-N 1 1 298.333 3.018 20 30 CGEDMO CCCn1ccnc1CCC[N@@H+](C)CCCC(C)(C)C#N ZINC000191494370 528862718 /nfs/dbraw/zinc/86/27/18/528862718.db2.gz QLDQGQUUABMHLG-UHFFFAOYSA-N 1 1 290.455 3.487 20 30 CGEDMO CC(C)[N@H+](CCCSCC#N)CCN1CCCCCC1 ZINC000347344377 528885348 /nfs/dbraw/zinc/88/53/48/528885348.db2.gz QGUVTQBOIAFOHL-UHFFFAOYSA-N 1 1 297.512 3.220 20 30 CGEDMO CC(C)[N@@H+](CCCSCC#N)CCN1CCCCCC1 ZINC000347344377 528885352 /nfs/dbraw/zinc/88/53/52/528885352.db2.gz QGUVTQBOIAFOHL-UHFFFAOYSA-N 1 1 297.512 3.220 20 30 CGEDMO CC(C)[N@H+]1CCCN(Cc2ccc(C#N)cc2Cl)CC1 ZINC000439434887 529006124 /nfs/dbraw/zinc/00/61/24/529006124.db2.gz FLLCRPHSZKOURN-UHFFFAOYSA-N 1 1 291.826 3.128 20 30 CGEDMO CC(C)(C)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000483239806 535073909 /nfs/dbraw/zinc/07/39/09/535073909.db2.gz QDHDGQCBDMYICK-OAHLLOKOSA-N 1 1 299.418 3.255 20 30 CGEDMO C=C(Cl)C[N@@H+](Cc1ccccc1)[C@H](CO)C(C)C ZINC000749801944 573040279 /nfs/dbraw/zinc/04/02/79/573040279.db2.gz JFPXMOTWNRMECK-OAHLLOKOSA-N 1 1 267.800 3.258 20 30 CGEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@H]2c2ccccc2)C1=O ZINC000337181619 571823190 /nfs/dbraw/zinc/82/31/90/571823190.db2.gz BADIJCYNLCAJFE-IRXDYDNUSA-N 1 1 284.403 3.001 20 30 CGEDMO CN(C)c1ccc(C=[NH+]OCCC(F)(F)F)cc1 ZINC000740872762 571889894 /nfs/dbraw/zinc/88/98/94/571889894.db2.gz MYWVMHRJLFXDBK-UHFFFAOYSA-N 1 1 260.259 3.056 20 30 CGEDMO C#CC[N@@H+](CC)CCC(=O)Nc1cccc2ccccc21 ZINC000746456571 571966083 /nfs/dbraw/zinc/96/60/83/571966083.db2.gz ACLIBQZWBRDYJP-UHFFFAOYSA-N 1 1 280.371 3.124 20 30 CGEDMO C=CCCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000741352104 572494256 /nfs/dbraw/zinc/49/42/56/572494256.db2.gz LVNZYIQUCRHBCF-INIZCTEOSA-N 1 1 273.376 3.160 20 30 CGEDMO C=CCCOC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000741352104 572494260 /nfs/dbraw/zinc/49/42/60/572494260.db2.gz LVNZYIQUCRHBCF-INIZCTEOSA-N 1 1 273.376 3.160 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000741807509 572531589 /nfs/dbraw/zinc/53/15/89/572531589.db2.gz AETTYBLRIZJERG-KRWDZBQOSA-N 1 1 282.472 3.001 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)C[C@H](O)c1cccc(F)c1 ZINC000744405736 572750329 /nfs/dbraw/zinc/75/03/29/572750329.db2.gz VNYLPAPOYFEYFU-INIZCTEOSA-N 1 1 278.371 3.121 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)C[C@H](O)c1cccc(F)c1 ZINC000744405736 572750332 /nfs/dbraw/zinc/75/03/32/572750332.db2.gz VNYLPAPOYFEYFU-INIZCTEOSA-N 1 1 278.371 3.121 20 30 CGEDMO C#CC[N@H+](CC(=O)N(C)C1CCCCC1)C1CCCCC1 ZINC000744739046 572769858 /nfs/dbraw/zinc/76/98/58/572769858.db2.gz CKXAWMQPTVJZFZ-UHFFFAOYSA-N 1 1 290.451 3.045 20 30 CGEDMO C[C@H]1CC(=NOCc2cccnc2)C[N@H+]1Cc1ccccc1 ZINC000746588105 572883520 /nfs/dbraw/zinc/88/35/20/572883520.db2.gz YOFZDBYKQSXSDL-HNNXBMFYSA-N 1 1 295.386 3.249 20 30 CGEDMO C#CC[N@@H+](CC)CCOc1cccc2ccccc21 ZINC000749159384 572989997 /nfs/dbraw/zinc/98/99/97/572989997.db2.gz CUOATJDCYOSEHG-UHFFFAOYSA-N 1 1 253.345 3.174 20 30 CGEDMO CCCCCCCC[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000774772424 628026555 /nfs/dbraw/zinc/02/65/55/628026555.db2.gz PWIUGXSLJQRYFZ-LLVKDONJSA-N 1 1 255.324 3.202 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)C2CC3(CCC3)C2)CC1 ZINC000981787213 613252201 /nfs/dbraw/zinc/25/22/01/613252201.db2.gz GQGMQAMZZHPEMY-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2(C)CC=CC2)[C@H](C)C1 ZINC000942602097 613265374 /nfs/dbraw/zinc/26/53/74/613265374.db2.gz CYWAPUVPUXNWGT-HZPDHXFCSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cccs2)C[C@H]1C ZINC000947013188 613267278 /nfs/dbraw/zinc/26/72/78/613267278.db2.gz KUYWYQLFUVLARI-ZIAGYGMSSA-N 1 1 292.448 3.297 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2(C)CCC2)C(C)(C)C1 ZINC000940954909 613270709 /nfs/dbraw/zinc/27/07/09/613270709.db2.gz QHYIAUFSXYIXJA-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)CC)C[C@@]2(C)C1 ZINC000982214574 613275945 /nfs/dbraw/zinc/27/59/45/613275945.db2.gz QJFZLMAPLSEXBV-NXHRZFHOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)[C@@]2(C)CCC[C@H]2CC)CC1 ZINC000981451432 613310380 /nfs/dbraw/zinc/31/03/80/613310380.db2.gz SRTBXRYNAYTPLN-AEFFLSMTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)[C@]2(C)CCC[C@H]2CC)CC1 ZINC000981451434 613311577 /nfs/dbraw/zinc/31/15/77/613311577.db2.gz SRTBXRYNAYTPLN-SJLPKXTDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)C2(C)CCCC2)CC1 ZINC000948656474 613314650 /nfs/dbraw/zinc/31/46/50/613314650.db2.gz ZGEYGZGZAAAEFM-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)[C@@H](C)CC2CCCCC2)CC1 ZINC000951166888 613317175 /nfs/dbraw/zinc/31/71/75/613317175.db2.gz VECVVJNBLYEBOF-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)[C@@H](CC)CC2CCCC2)CC1 ZINC000951168959 613317982 /nfs/dbraw/zinc/31/79/82/613317982.db2.gz BIDOQGXMWVWCJR-KRWDZBQOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)c2ccc3ccccc3c2)CC1 ZINC000957443210 613320732 /nfs/dbraw/zinc/32/07/32/613320732.db2.gz BHRNLXGDQCVCOY-UHFFFAOYSA-N 1 1 294.398 3.174 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2csc(C)c2)C1 ZINC000968423320 613325014 /nfs/dbraw/zinc/32/50/14/613325014.db2.gz RACBMWXWIBSBBF-DOMZBBRYSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cscc2C)C1 ZINC000965770367 613326270 /nfs/dbraw/zinc/32/62/70/613326270.db2.gz YADCRSZMCOWHPY-IUODEOHRSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2(C)CC(=C)C2)C(C)(C)C1 ZINC000941015592 613326815 /nfs/dbraw/zinc/32/68/15/613326815.db2.gz BGVZWUXQOBQIGK-OAHLLOKOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2CCCCC2)C[C@@H]1C ZINC000947000377 613327276 /nfs/dbraw/zinc/32/72/76/613327276.db2.gz HCGHBNJCVBAQJE-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2C(C)(C)C2(C)C)C[C@@H]1C ZINC000947174417 613327380 /nfs/dbraw/zinc/32/73/80/613327380.db2.gz KYVBYLUMBQILEO-UONOGXRCSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C2(F)CCCCC2)[C@H](C)C1 ZINC000943985794 613334697 /nfs/dbraw/zinc/33/46/97/613334697.db2.gz AJCAFXFQPFQWJN-CABCVRRESA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@]2(C)C=CCC2)C(C)(C)C1 ZINC000940958813 613335701 /nfs/dbraw/zinc/33/57/01/613335701.db2.gz JXAWRDLINDCLCH-MAUKXSAKSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)C(C)C)C[C@@]2(C)C1 ZINC000982609236 613340367 /nfs/dbraw/zinc/34/03/67/613340367.db2.gz FXKWPOJOUHCXQO-NXHRZFHOSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC2(C)C)C(C)(C)C1 ZINC000940665471 613376530 /nfs/dbraw/zinc/37/65/30/613376530.db2.gz VJRFTSVEMGOZHR-CHWSQXEVSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC2(C)C)C(C)(C)C1 ZINC000940665471 613376531 /nfs/dbraw/zinc/37/65/31/613376531.db2.gz VJRFTSVEMGOZHR-CHWSQXEVSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(C)CCCC2)C[C@H]1C ZINC000947588222 613378386 /nfs/dbraw/zinc/37/83/86/613378386.db2.gz AHFORACTFNLBPG-KGLIPLIRSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(C)CCCC2)C[C@H]1C ZINC000947588222 613378387 /nfs/dbraw/zinc/37/83/87/613378387.db2.gz AHFORACTFNLBPG-KGLIPLIRSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C1CC(C)(C(=O)N(C)[C@H]2CCC[N@@H+](CCCF)CC2)C1 ZINC000948754080 613393051 /nfs/dbraw/zinc/39/30/51/613393051.db2.gz SJGBSJMGUNQENL-HNNXBMFYSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC[C@H]([N@@H+](C)CC3CCCC3)C2)C1 ZINC000972274563 613394251 /nfs/dbraw/zinc/39/42/51/613394251.db2.gz AAOCMNPHLNLCIU-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](C(C)C)CC2(C)C)CC1 ZINC000940996905 613409915 /nfs/dbraw/zinc/40/99/15/613409915.db2.gz JTZOHGWGSWZPII-MRXNPFEDSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CCC[N@H+](CCCC)C2 ZINC000981988246 613472712 /nfs/dbraw/zinc/47/27/12/613472712.db2.gz YYPPDOASHVBTDT-KRWDZBQOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)C2C[C@H](C)C[C@@H](C)C2)C1 ZINC000957434410 613476989 /nfs/dbraw/zinc/47/69/89/613476989.db2.gz XBGMZSDTDMKQTO-HUUCEWRRSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCC=CCCC2)C1 ZINC000950611838 613477905 /nfs/dbraw/zinc/47/79/05/613477905.db2.gz KQQPRTYGDODLDV-INIZCTEOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)C1CC(C)(C)C1 ZINC000968847021 613491049 /nfs/dbraw/zinc/49/10/49/613491049.db2.gz SBTZFIYZSRLIBB-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)[C@H]2CCC(C)=C(C)C2)CC1 ZINC000981226471 613495322 /nfs/dbraw/zinc/49/53/22/613495322.db2.gz IPDDELJTHGGRFG-KRWDZBQOSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)C2CCCCC2)CC1 ZINC000948155561 613499812 /nfs/dbraw/zinc/49/98/12/613499812.db2.gz IINWHCWBBQDATP-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@]2(C)C=CCC2)CC1 ZINC000948681023 613499881 /nfs/dbraw/zinc/49/98/81/613499881.db2.gz OXXQORVVOJHSBN-SJLPKXTDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@]2(C)C=CCC2)CC1 ZINC000948681024 613500959 /nfs/dbraw/zinc/50/09/59/613500959.db2.gz OXXQORVVOJHSBN-WMZOPIPTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)c2ccoc2C)CC1 ZINC000948172981 613501535 /nfs/dbraw/zinc/50/15/35/613501535.db2.gz GSKLONOHOZHNSZ-HNNXBMFYSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C2=CCCCCC2)C1 ZINC000965945883 613514349 /nfs/dbraw/zinc/51/43/49/613514349.db2.gz CRCYGCQUQRJDNL-WBVHZDCISA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)CC2CCCCC2)C1 ZINC000964770131 613515558 /nfs/dbraw/zinc/51/55/58/613515558.db2.gz IBDXRTJHJNDMQU-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)C(F)=C2CCCC2)[C@@H](C)C1 ZINC000941955427 613519191 /nfs/dbraw/zinc/51/91/91/613519191.db2.gz NIZZMIORUBSUGY-DZGCQCFKSA-N 1 1 294.414 3.187 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C)cc2)[C@@H](C)C1 ZINC000944264776 613524024 /nfs/dbraw/zinc/52/40/24/613524024.db2.gz QKJNIHPHRPRZQS-DOTOQJQBSA-N 1 1 286.419 3.011 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2oc(C)cc2C)C[C@H]1C ZINC000947166534 613527894 /nfs/dbraw/zinc/52/78/94/613527894.db2.gz OSVXMUFNXLHOLZ-UKRRQHHQSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)C=C2CCCCC2)[C@H](C)C1 ZINC000941873930 613535052 /nfs/dbraw/zinc/53/50/52/613535052.db2.gz JPYMCIZMJUDEEL-WBVHZDCISA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)c2sccc2C)[C@H](C)C1 ZINC000941747422 613542699 /nfs/dbraw/zinc/54/26/99/613542699.db2.gz LETBHKMRJWKAST-KGLIPLIRSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](NC(=O)CC2=CCCCC2)C(C)(C)C1 ZINC000972968780 613543289 /nfs/dbraw/zinc/54/32/89/613543289.db2.gz SRTYLVAWJGVBNG-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C(C)(C)C1 ZINC000977499624 613554863 /nfs/dbraw/zinc/55/48/63/613554863.db2.gz IRRSOLVZLOUFKM-JYJNAYRXSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)CC(C)(C)C)CC[C@@H]2C1 ZINC000946480412 613558772 /nfs/dbraw/zinc/55/87/72/613558772.db2.gz SDYYUYWMDSXXAM-IYBDPMFKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)C2(C3CCCCC3)CC2)C1 ZINC000980274691 613610756 /nfs/dbraw/zinc/61/07/56/613610756.db2.gz JRMODJAHDQFSJG-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)CC2(C)CCCCC2)C1 ZINC000971916196 613611548 /nfs/dbraw/zinc/61/15/48/613611548.db2.gz DGUWRSMWFJMBIY-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)c2scc(C)c2Cl)C1 ZINC000971595761 613641282 /nfs/dbraw/zinc/64/12/82/613641282.db2.gz DDSOEZNBWJLHIR-NSHDSACASA-N 1 1 298.839 3.042 20 30 CGEDMO C=CC[N@H+]1CCCCC[C@H]1CNC(=O)C12CCC(CC1)C2 ZINC000968916538 613685401 /nfs/dbraw/zinc/68/54/01/613685401.db2.gz CLIJVXUTLBSKQF-PQUAAJSLSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)[C@H](C)CC2CCCCC2)CC1 ZINC000982070302 613693817 /nfs/dbraw/zinc/69/38/17/613693817.db2.gz NBMBTAADBLFHTD-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C2(C)CCCCCC2)C1 ZINC000966752970 613727358 /nfs/dbraw/zinc/72/73/58/613727358.db2.gz NPVMHXKCXMSALW-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)cc2)C(C)(C)C1 ZINC000941185986 613752045 /nfs/dbraw/zinc/75/20/45/613752045.db2.gz YNINWYRANOHCOM-MRXNPFEDSA-N 1 1 286.419 3.011 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)c2sccc2Cl)[C@H](C)C1 ZINC000942074095 613763000 /nfs/dbraw/zinc/76/30/00/613763000.db2.gz UPOMOKAYDDPKHO-ZYHUDNBSSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2cc(Cl)cs2)C1 ZINC000968387323 613773235 /nfs/dbraw/zinc/77/32/35/613773235.db2.gz YNZNRTXZPYGIOM-CMPLNLGQSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cc(Cl)cs2)C1 ZINC000968387323 613773236 /nfs/dbraw/zinc/77/32/36/613773236.db2.gz YNZNRTXZPYGIOM-CMPLNLGQSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2occc2C(C)C)C1 ZINC000967994359 613775416 /nfs/dbraw/zinc/77/54/16/613775416.db2.gz MYADPXAHWFVMJD-DZGCQCFKSA-N 1 1 290.407 3.029 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC(C)(C)C)C2)C1 ZINC000961089332 613805579 /nfs/dbraw/zinc/80/55/79/613805579.db2.gz FRNSJTGIUCWCJB-HOTGVXAUSA-N 1 1 292.467 3.169 20 30 CGEDMO CC(=[NH+]OC/C=C\Cl)c1ccccc1N(C)C ZINC000811670580 617712765 /nfs/dbraw/zinc/71/27/65/617712765.db2.gz WDRAEIOAPHGUSF-DCQHWMSFSA-N 1 1 252.745 3.246 20 30 CGEDMO C#CC[N@H+](CC/C=C/c1cncc(OC)c1)C(C)(C)C ZINC000932462355 617764137 /nfs/dbraw/zinc/76/41/37/617764137.db2.gz WGCVOENWMZHEDP-VQHVLOKHSA-N 1 1 272.392 3.227 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC2CCC2)C1 ZINC001021550613 618035656 /nfs/dbraw/zinc/03/56/56/618035656.db2.gz IVXBMEJLBTWBHH-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[C@@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810910268 618061811 /nfs/dbraw/zinc/06/18/11/618061811.db2.gz FVEOTWWIVULJJW-CZUORRHYSA-N 1 1 284.419 3.060 20 30 CGEDMO C#CCC1([NH2+][C@@H](C)c2nc(-c3cccs3)no2)CCC1 ZINC000933301243 618196565 /nfs/dbraw/zinc/19/65/65/618196565.db2.gz KXIUVKAWHRCXFT-NSHDSACASA-N 1 1 287.388 3.395 20 30 CGEDMO C#CC[N@H+](CCC(OC)OC)[C@H]1CCCc2ccccc21 ZINC000933421831 618229088 /nfs/dbraw/zinc/22/90/88/618229088.db2.gz YCLYWZHPIGSNNH-KRWDZBQOSA-N 1 1 287.403 3.008 20 30 CGEDMO CC(C)[N@H+](CCC#N)Cc1ccc2c(c1)CCCO2 ZINC000891694207 618248849 /nfs/dbraw/zinc/24/88/49/618248849.db2.gz LUAXFIYAXZIWQZ-UHFFFAOYSA-N 1 1 258.365 3.136 20 30 CGEDMO CC(C)[N@@H+](CCC#N)Cc1ccc2c(c1)CCCO2 ZINC000891694207 618248862 /nfs/dbraw/zinc/24/88/62/618248862.db2.gz LUAXFIYAXZIWQZ-UHFFFAOYSA-N 1 1 258.365 3.136 20 30 CGEDMO CCC[N@H+](Cc1csc(C#N)c1)C[C@@H]1CCCCO1 ZINC000891942346 618397712 /nfs/dbraw/zinc/39/77/12/618397712.db2.gz FDIXSSNTGPMOIX-AWEZNQCLSA-N 1 1 278.421 3.401 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)cs1 ZINC000892122482 618543881 /nfs/dbraw/zinc/54/38/81/618543881.db2.gz WRYJMDUBVPCRFE-KBPBESRZSA-N 1 1 278.446 3.480 20 30 CGEDMO N#Cc1ccc(N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000892300639 618663086 /nfs/dbraw/zinc/66/30/86/618663086.db2.gz OVIVXXIZQKICJL-LBPRGKRZSA-N 1 1 286.766 3.319 20 30 CGEDMO N#Cc1ccc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Cl)c1 ZINC000892300638 618663152 /nfs/dbraw/zinc/66/31/52/618663152.db2.gz OVIVXXIZQKICJL-GFCCVEGCSA-N 1 1 286.766 3.319 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1cnc2ccccc2n1 ZINC000934648011 618664999 /nfs/dbraw/zinc/66/49/99/618664999.db2.gz UJKQGKYOAQOMFF-UHFFFAOYSA-N 1 1 255.365 3.418 20 30 CGEDMO CCOc1ccc(CC[N@@H+](C)[C@H]2CC[C@H](C#N)C2)cc1 ZINC000934718731 618673949 /nfs/dbraw/zinc/67/39/49/618673949.db2.gz BLCQTOSABJKLHQ-HOTGVXAUSA-N 1 1 272.392 3.252 20 30 CGEDMO CCOc1ccc(CC[N@@H+](C)[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000934718732 618674132 /nfs/dbraw/zinc/67/41/32/618674132.db2.gz BLCQTOSABJKLHQ-HZPDHXFCSA-N 1 1 272.392 3.252 20 30 CGEDMO CCOc1ccc(CC[N@@H+](C)[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000934718730 618674246 /nfs/dbraw/zinc/67/42/46/618674246.db2.gz BLCQTOSABJKLHQ-CVEARBPZSA-N 1 1 272.392 3.252 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000934837707 618701904 /nfs/dbraw/zinc/70/19/04/618701904.db2.gz KNJBHEVFIBGFCF-ZWKOTPCHSA-N 1 1 284.403 3.197 20 30 CGEDMO C#CC[N@H+](Cc1cc(-c2ccco2)on1)C1CCCC1 ZINC000155731344 618705310 /nfs/dbraw/zinc/70/53/10/618705310.db2.gz ICWGHOJXEDKOMV-UHFFFAOYSA-N 1 1 270.332 3.312 20 30 CGEDMO C#CC[N@@H+](Cc1cc(-c2ccco2)on1)C1CCCC1 ZINC000155731344 618705312 /nfs/dbraw/zinc/70/53/12/618705312.db2.gz ICWGHOJXEDKOMV-UHFFFAOYSA-N 1 1 270.332 3.312 20 30 CGEDMO C[C@H]1CCC[N@@H+](CCCOc2ccc(C#N)cc2)CC1 ZINC000070158132 618740644 /nfs/dbraw/zinc/74/06/44/618740644.db2.gz KRCHCCWHWNNJRC-HNNXBMFYSA-N 1 1 272.392 3.449 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)Cc2ccco2)cc1 ZINC000162151562 618740769 /nfs/dbraw/zinc/74/07/69/618740769.db2.gz JUUSJZCWYSVFCI-ZDUSSCGKSA-N 1 1 270.332 3.202 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc(O[C@@H](C)C#N)cc1)C1CC1 ZINC000179484784 618786444 /nfs/dbraw/zinc/78/64/44/618786444.db2.gz NJLZYLDQOQZQKH-ZDUSSCGKSA-N 1 1 258.365 3.350 20 30 CGEDMO CC[C@H]([NH2+]Cc1ccnc(F)c1)c1cccc(C#N)c1O ZINC000926788722 618892829 /nfs/dbraw/zinc/89/28/29/618892829.db2.gz KCQAYCVLEMFRMN-AWEZNQCLSA-N 1 1 285.322 3.039 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000775183423 619005891 /nfs/dbraw/zinc/00/58/91/619005891.db2.gz LYJVANJMQDFOCR-JTQLQIEISA-N 1 1 257.255 3.039 20 30 CGEDMO CC[N@H+](Cc1c(C)cc(C#N)cc1C)C[C@@H](C)OC ZINC000930538115 619013141 /nfs/dbraw/zinc/01/31/41/619013141.db2.gz FGMYIGQWRWFRSH-CQSZACIVSA-N 1 1 260.381 3.032 20 30 CGEDMO CS[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000930610124 619032214 /nfs/dbraw/zinc/03/22/14/619032214.db2.gz OWHISNCBGFVYDM-CYBMUJFWSA-N 1 1 266.797 3.149 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C2(C)CC2)C1 ZINC001008502445 619118471 /nfs/dbraw/zinc/11/84/71/619118471.db2.gz PPJATZCDVKZLOO-OAHLLOKOSA-N 1 1 298.430 3.118 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1cnn(C2CCC2)c1 ZINC000893419326 619170377 /nfs/dbraw/zinc/17/03/77/619170377.db2.gz COKVWVHRLKVUSD-UHFFFAOYSA-N 1 1 285.391 3.432 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cnn(C)c1C1CC1 ZINC000893420116 619170576 /nfs/dbraw/zinc/17/05/76/619170576.db2.gz IZRYNADNUSYFFN-UHFFFAOYSA-N 1 1 285.391 3.121 20 30 CGEDMO C[C@@H](c1ccccn1)[N@H+](C)Cc1csc(C#N)c1 ZINC000893421032 619170765 /nfs/dbraw/zinc/17/07/65/619170765.db2.gz OJLWTBHJNRHUQK-NSHDSACASA-N 1 1 257.362 3.208 20 30 CGEDMO C[C@@H](c1ccccn1)[N@@H+](C)Cc1csc(C#N)c1 ZINC000893421032 619170766 /nfs/dbraw/zinc/17/07/66/619170766.db2.gz OJLWTBHJNRHUQK-NSHDSACASA-N 1 1 257.362 3.208 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CCS[C@H](C)CC2)cc1 ZINC000190696482 619209164 /nfs/dbraw/zinc/20/91/64/619209164.db2.gz GPBAAZLOBAMEAS-OAHLLOKOSA-N 1 1 289.444 3.416 20 30 CGEDMO N#CCCC[N@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000932188477 619308252 /nfs/dbraw/zinc/30/82/52/619308252.db2.gz LHPMMSXPIWFLKW-LBPRGKRZSA-N 1 1 275.421 3.115 20 30 CGEDMO Cc1n[nH]c(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c1C ZINC000893945975 619338440 /nfs/dbraw/zinc/33/84/40/619338440.db2.gz RZROHIVKFXGBCR-UHFFFAOYSA-N 1 1 282.391 3.309 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1cccc2[nH]c(=O)oc21 ZINC000894091814 619369852 /nfs/dbraw/zinc/36/98/52/619369852.db2.gz UAVHESSQHXSRPN-LBPRGKRZSA-N 1 1 258.321 3.074 20 30 CGEDMO C=CC[C@@H](C)[NH+]1CCN(C2CCC(C)CC2)CC1 ZINC000878109610 619421208 /nfs/dbraw/zinc/42/12/08/619421208.db2.gz WMHHSWXOUJZSJN-HWOWSKLDSA-N 1 1 250.430 3.147 20 30 CGEDMO Cc1nc(C[NH2+][C@@H](C)CC(C)(C)C#N)nc2ccccc12 ZINC000924905403 619432416 /nfs/dbraw/zinc/43/24/16/619432416.db2.gz GIROHBDJNVQZIW-LBPRGKRZSA-N 1 1 282.391 3.356 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@H+](CCC#N)CC2CC2)cc1 ZINC000093091361 619501117 /nfs/dbraw/zinc/50/11/17/619501117.db2.gz JTTRPMYOCARDIC-AWEZNQCLSA-N 1 1 283.375 3.103 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](CCC#N)CC2CC2)cc1 ZINC000093091361 619501120 /nfs/dbraw/zinc/50/11/20/619501120.db2.gz JTTRPMYOCARDIC-AWEZNQCLSA-N 1 1 283.375 3.103 20 30 CGEDMO C[N@@H+](CCCOc1ccc(C#N)cc1)Cc1ccoc1 ZINC000048554423 619508451 /nfs/dbraw/zinc/50/84/51/619508451.db2.gz HZZFGDDHWAOPRV-UHFFFAOYSA-N 1 1 270.332 3.052 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2csc(C#N)c2)CCC1(F)F ZINC000894533312 619565888 /nfs/dbraw/zinc/56/58/88/619565888.db2.gz FTVJEMIAPIPQFF-SECBINFHSA-N 1 1 256.321 3.097 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2csc(C#N)c2)CCC1(F)F ZINC000894533312 619565892 /nfs/dbraw/zinc/56/58/92/619565892.db2.gz FTVJEMIAPIPQFF-SECBINFHSA-N 1 1 256.321 3.097 20 30 CGEDMO C=C1CCC(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC000895849754 619897322 /nfs/dbraw/zinc/89/73/22/619897322.db2.gz ZEKYHQNVSQCDGJ-UHFFFAOYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)CCCF)cc1OC ZINC000895898068 619902855 /nfs/dbraw/zinc/90/28/55/619902855.db2.gz JQBDVBLGTKTKJX-UHFFFAOYSA-N 1 1 267.344 3.051 20 30 CGEDMO COc1ccc(C[C@@H](C)C[N@H+]2CCC[C@@H](C#N)C2)cc1F ZINC000896506632 620019201 /nfs/dbraw/zinc/01/92/01/620019201.db2.gz VCRDSVKKXWRXLP-HIFRSBDPSA-N 1 1 290.382 3.248 20 30 CGEDMO C=CC[N@H+](CC(C)C)C[C@@H](O)c1ccc(F)cc1 ZINC000121282704 620022220 /nfs/dbraw/zinc/02/22/20/620022220.db2.gz BTTZJMCVSFQJRX-OAHLLOKOSA-N 1 1 251.345 3.003 20 30 CGEDMO Cc1ccc(C[NH2+]Cc2cc(C3CC3)no2)cc1C#N ZINC000896880832 620083243 /nfs/dbraw/zinc/08/32/43/620083243.db2.gz QDJFAXCOVLVAEV-UHFFFAOYSA-N 1 1 267.332 3.022 20 30 CGEDMO Cc1cc(C(F)(F)F)cc(NCc2nc(C#N)cs2)[nH+]1 ZINC000896929973 620105608 /nfs/dbraw/zinc/10/56/08/620105608.db2.gz IQJVXYSLPQGVJD-UHFFFAOYSA-N 1 1 298.293 3.349 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000796606220 620115395 /nfs/dbraw/zinc/11/53/95/620115395.db2.gz DJVTZUJJZFNTKZ-HZPDHXFCSA-N 1 1 269.429 3.227 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2CCC[C@H](F)C2)CC1 ZINC000985434845 620188613 /nfs/dbraw/zinc/18/86/13/620188613.db2.gz VPEQNCARPCWXRD-GJZGRUSLSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC([N@@H+](C)CC(C)C)CC1 ZINC000985622027 620222417 /nfs/dbraw/zinc/22/24/17/620222417.db2.gz YGABACWYBUFRGD-KRWDZBQOSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)[C@]2(C)CC=C(C)CC2)CC1 ZINC000985799722 620240178 /nfs/dbraw/zinc/24/01/78/620240178.db2.gz NGSRLWURYUIUMB-GOSISDBHSA-N 1 1 290.451 3.232 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(F)cc2Br)C1 ZINC000862445001 620298868 /nfs/dbraw/zinc/29/88/68/620298868.db2.gz JYCXBUWJJUZLPK-NSHDSACASA-N 1 1 296.183 3.433 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000862443316 620298956 /nfs/dbraw/zinc/29/89/56/620298956.db2.gz OGCDGIRNLQWNAU-NSHDSACASA-N 1 1 296.183 3.433 20 30 CGEDMO Cc1noc2ncc(C[N@H+](C)Cc3cc(C#N)cs3)cc12 ZINC000897624335 620411168 /nfs/dbraw/zinc/41/11/68/620411168.db2.gz IPDGLEULRIOILH-UHFFFAOYSA-N 1 1 298.371 3.096 20 30 CGEDMO Cc1noc2ncc(C[N@@H+](C)Cc3cc(C#N)cs3)cc12 ZINC000897624335 620411173 /nfs/dbraw/zinc/41/11/73/620411173.db2.gz IPDGLEULRIOILH-UHFFFAOYSA-N 1 1 298.371 3.096 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1ccccc1-n1cncn1 ZINC000898245966 620496476 /nfs/dbraw/zinc/49/64/76/620496476.db2.gz KEJVKVNLVPQTDU-UHFFFAOYSA-N 1 1 270.380 3.055 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC3(C)C)CCC[C@H]12 ZINC000990275708 620540019 /nfs/dbraw/zinc/54/00/19/620540019.db2.gz HLRVIASWYSBQAE-RVKKMQEKSA-N 1 1 290.451 3.112 20 30 CGEDMO Cn1c[nH+]cc1CCCON=Cc1ccc(Cl)cc1 ZINC000902152590 621173888 /nfs/dbraw/zinc/17/38/88/621173888.db2.gz YBEZBHFGUFJTHA-UHFFFAOYSA-N 1 1 277.755 3.057 20 30 CGEDMO C=CCCC[N@H+](CC)Cn1nccc1-c1cccnc1 ZINC000902669519 621396160 /nfs/dbraw/zinc/39/61/60/621396160.db2.gz NXFNCMSCVGBVNF-UHFFFAOYSA-N 1 1 270.380 3.191 20 30 CGEDMO Cc1cccc(F)c1C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902822540 621456585 /nfs/dbraw/zinc/45/65/85/621456585.db2.gz XIMOVWOQYYRMSI-LBPRGKRZSA-N 1 1 269.323 3.252 20 30 CGEDMO C=CCC[C@@H]([NH2+]Cc1cn[nH]c1C)[C@@]1(C)CCCCO1 ZINC000902873088 621476066 /nfs/dbraw/zinc/47/60/66/621476066.db2.gz VBFPADJYFRTHEP-HZPDHXFCSA-N 1 1 277.412 3.102 20 30 CGEDMO N#CC1(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)CCC1 ZINC000903033490 621536041 /nfs/dbraw/zinc/53/60/41/621536041.db2.gz VJCZZDKUUWWXLJ-CQSZACIVSA-N 1 1 274.339 3.323 20 30 CGEDMO CC[C@@H]([NH2+][C@H](c1nncn1C)C(C)C)c1ccc(C#N)cc1 ZINC000903067244 621552774 /nfs/dbraw/zinc/55/27/74/621552774.db2.gz ZONDRQLNRKZQRP-CVEARBPZSA-N 1 1 297.406 3.125 20 30 CGEDMO CC[C@H](N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc(C#N)c1 ZINC000903047552 621554935 /nfs/dbraw/zinc/55/49/35/621554935.db2.gz PQTVFYJLHNUMLW-SJORKVTESA-N 1 1 285.435 3.472 20 30 CGEDMO CC[C@H](N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1cccc(C#N)c1 ZINC000903047552 621554943 /nfs/dbraw/zinc/55/49/43/621554943.db2.gz PQTVFYJLHNUMLW-SJORKVTESA-N 1 1 285.435 3.472 20 30 CGEDMO N#CC1(CCCC[N@@H+]2CCNC[C@@H]2c2ccccc2)CCC1 ZINC000903757532 621803929 /nfs/dbraw/zinc/80/39/29/621803929.db2.gz DGXZGVSBHCOXNA-GOSISDBHSA-N 1 1 297.446 3.497 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCNC[C@@H]2c2ccccc2)CCC1 ZINC000903757532 621803930 /nfs/dbraw/zinc/80/39/30/621803930.db2.gz DGXZGVSBHCOXNA-GOSISDBHSA-N 1 1 297.446 3.497 20 30 CGEDMO C=CCC(C)(C)c1noc(C[N@@H+](C)CC(C)(C)C)n1 ZINC000904081791 621865534 /nfs/dbraw/zinc/86/55/34/621865534.db2.gz CKGFQPYELJWOJG-UHFFFAOYSA-N 1 1 265.401 3.401 20 30 CGEDMO C=CCC(C)(C)c1noc(C[N@H+](C)CC(C)(C)C)n1 ZINC000904081791 621865535 /nfs/dbraw/zinc/86/55/35/621865535.db2.gz CKGFQPYELJWOJG-UHFFFAOYSA-N 1 1 265.401 3.401 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@@H+](CC)CC2CC2)c1O ZINC000164326906 622828118 /nfs/dbraw/zinc/82/81/18/622828118.db2.gz ACCFKDWOLWAIJY-UHFFFAOYSA-N 1 1 275.392 3.361 20 30 CGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC2(CCCC2)C1 ZINC000173829646 623343181 /nfs/dbraw/zinc/34/31/81/623343181.db2.gz JCEIZTZEAPUAFV-CQSZACIVSA-N 1 1 297.402 3.151 20 30 CGEDMO C#CCOc1ccccc1C[NH2+]Cc1nc(C)c(C)s1 ZINC000174434151 623395343 /nfs/dbraw/zinc/39/53/43/623395343.db2.gz KBCJWDRMWZYYSG-UHFFFAOYSA-N 1 1 286.400 3.062 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(CC)cc3)CCC[C@H]12 ZINC000992484329 623596283 /nfs/dbraw/zinc/59/62/83/623596283.db2.gz DYKQVFWWJACWQR-HKUYNNGSSA-N 1 1 298.430 3.162 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)cc(Cl)c2)C1 ZINC001015274319 623674338 /nfs/dbraw/zinc/67/43/38/623674338.db2.gz OMPATKGMNSUUFF-OAHLLOKOSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)CC2CCCC2)[C@@H]1C ZINC000992990259 623774744 /nfs/dbraw/zinc/77/47/44/623774744.db2.gz ZRFRVQMTVJMZSE-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO CCC(=[NH+]OC[C@H]1CCOC1)c1ccc(Cl)c(N)c1 ZINC000814912124 623816746 /nfs/dbraw/zinc/81/67/46/623816746.db2.gz KFIOCUGECWHPNB-JTQLQIEISA-N 1 1 282.771 3.089 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C=C2CCCCC2)[C@H]1C ZINC000993083510 623828160 /nfs/dbraw/zinc/82/81/60/623828160.db2.gz UOLXZIUGITVFAB-GDBMZVCRSA-N 1 1 276.424 3.032 20 30 CGEDMO COc1ccc(N[NH2+]C=C2CC2(F)F)cc1Cl ZINC000834972543 623840989 /nfs/dbraw/zinc/84/09/89/623840989.db2.gz CVUQSPFRGQBOLI-SSDOTTSWSA-N 1 1 260.671 3.402 20 30 CGEDMO C[C@H](N[NH+]=C1CC[C@@H]2CNc3cccc1c32)C(F)(F)F ZINC000834998173 623845865 /nfs/dbraw/zinc/84/58/65/623845865.db2.gz CZYYEWSTHCNFSF-DTWKUNHWSA-N 1 1 283.297 3.234 20 30 CGEDMO N#CC[C@@H](O)C[N@H+]1CCC[C@@H]1CCC1CCCCC1 ZINC000929854740 623876537 /nfs/dbraw/zinc/87/65/37/623876537.db2.gz OBFAAKZDITUCDN-HZPDHXFCSA-N 1 1 264.413 3.086 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)CC2CCC2)[C@@H]1C ZINC000993193572 623931149 /nfs/dbraw/zinc/93/11/49/623931149.db2.gz BCIIXZANWQTXEX-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)c(C)o2)[C@@H]1C ZINC000993210240 623965898 /nfs/dbraw/zinc/96/58/98/623965898.db2.gz URODSKFUPCWZDY-DZGCQCFKSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C(F)=C2CCCC2)[C@H]1C ZINC000993240092 623994188 /nfs/dbraw/zinc/99/41/88/623994188.db2.gz WHCQAZYDHMPWBW-UKRRQHHQSA-N 1 1 294.414 3.329 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccsc2C)[C@@H]1C ZINC000993327687 624025937 /nfs/dbraw/zinc/02/59/37/624025937.db2.gz NJWPZZWGXBDIBC-WFASDCNBSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](NC(=O)c2sccc2Cl)[C@H]1C ZINC000993354970 624035426 /nfs/dbraw/zinc/03/54/26/624035426.db2.gz GEQVFIWVUMYXCL-PWSUYJOCSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2sccc2Cl)[C@H]1C ZINC000993354970 624035429 /nfs/dbraw/zinc/03/54/29/624035429.db2.gz GEQVFIWVUMYXCL-PWSUYJOCSA-N 1 1 298.839 3.170 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](CCC3CCCC3)C2)C1 ZINC001015671704 624053397 /nfs/dbraw/zinc/05/33/97/624053397.db2.gz BTSNJLYGJFGJLA-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)[C@@H]1C ZINC000994247803 624122141 /nfs/dbraw/zinc/12/21/41/624122141.db2.gz GSXXXOHDSGEJOB-QAETUUGQSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(Cl)C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000917074305 624233041 /nfs/dbraw/zinc/23/30/41/624233041.db2.gz WRLIDXJPKWIFNK-UHFFFAOYSA-N 1 1 264.800 3.470 20 30 CGEDMO C=C(Cl)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000917074305 624233052 /nfs/dbraw/zinc/23/30/52/624233052.db2.gz WRLIDXJPKWIFNK-UHFFFAOYSA-N 1 1 264.800 3.470 20 30 CGEDMO C=CC[N@H+](CC(=O)N1c2ccccc2CC[C@@H]1C)C(C)C ZINC000917071510 624234377 /nfs/dbraw/zinc/23/43/77/624234377.db2.gz UAMVJENBPXTVOK-HNNXBMFYSA-N 1 1 286.419 3.251 20 30 CGEDMO C=CC[N@@H+](CC(=O)N1c2ccccc2CC[C@@H]1C)C(C)C ZINC000917071510 624234378 /nfs/dbraw/zinc/23/43/78/624234378.db2.gz UAMVJENBPXTVOK-HNNXBMFYSA-N 1 1 286.419 3.251 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)c3ccccc23)C1 ZINC001015762314 624241011 /nfs/dbraw/zinc/24/10/11/624241011.db2.gz DJUHLKJIHHXKAP-OAHLLOKOSA-N 1 1 294.398 3.138 20 30 CGEDMO C[N@H+]1CCC[C@@H]1CSc1cccc(C#N)c1Cl ZINC000920289755 624472969 /nfs/dbraw/zinc/47/29/69/624472969.db2.gz WMOLDSQMCBJGGD-LLVKDONJSA-N 1 1 266.797 3.398 20 30 CGEDMO Cc1cnc(CO[NH+]=C(N)CCCc2ccccc2)s1 ZINC000179903160 624696336 /nfs/dbraw/zinc/69/63/36/624696336.db2.gz KBJPCAMQCMVKNV-UHFFFAOYSA-N 1 1 289.404 3.263 20 30 CGEDMO Cc1cnc(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)s1 ZINC000182003046 624929682 /nfs/dbraw/zinc/92/96/82/624929682.db2.gz LHZNGBLOBHWRSC-LBPRGKRZSA-N 1 1 287.388 3.205 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1nnc(-c2cccc(F)c2)o1 ZINC000075617716 625750093 /nfs/dbraw/zinc/75/00/93/625750093.db2.gz DXLRATZUMOKGMP-UHFFFAOYSA-N 1 1 275.327 3.274 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1nnc(-c2cccc(F)c2)o1 ZINC000075617716 625750106 /nfs/dbraw/zinc/75/01/06/625750106.db2.gz DXLRATZUMOKGMP-UHFFFAOYSA-N 1 1 275.327 3.274 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2ccccc2)CC1 ZINC000997924686 625773513 /nfs/dbraw/zinc/77/35/13/625773513.db2.gz CWUXPNCKDKCXEK-GOSISDBHSA-N 1 1 298.430 3.027 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC2(C)C)CC1 ZINC000997973873 625777392 /nfs/dbraw/zinc/77/73/92/625777392.db2.gz BHMIFBZOCFACJX-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CCC2(C)C)CC1 ZINC000998095672 625789068 /nfs/dbraw/zinc/78/90/68/625789068.db2.gz STNRRTBWQORDJR-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO CCCCCCCCCCC(=O)N1CC[NH+](C)CC1 ZINC000106423463 625827776 /nfs/dbraw/zinc/82/77/76/625827776.db2.gz UCMBMKKMTFWVFV-UHFFFAOYSA-N 1 1 268.445 3.291 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCCCC2(C)C)CC1 ZINC001001479530 625898217 /nfs/dbraw/zinc/89/82/17/625898217.db2.gz AGCDNVOSCSIOTL-MRXNPFEDSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H]2C[C@]2(C)CC)CC1 ZINC001001991693 625906987 /nfs/dbraw/zinc/90/69/87/625906987.db2.gz GAFZJSCCKKANPO-HOCLYGCPSA-N 1 1 298.858 3.003 20 30 CGEDMO N#Cc1cc(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)cs1 ZINC000921862380 625914832 /nfs/dbraw/zinc/91/48/32/625914832.db2.gz IZGXRRZYKOPWSW-UHFFFAOYSA-N 1 1 298.367 3.127 20 30 CGEDMO COc1c(C)cccc1C[NH2+]Cc1csc(C#N)c1 ZINC000922226505 625986703 /nfs/dbraw/zinc/98/67/03/625986703.db2.gz MSUQCXOWWYMEGM-UHFFFAOYSA-N 1 1 272.373 3.227 20 30 CGEDMO N#Cc1ccccc1C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000922584126 626016593 /nfs/dbraw/zinc/01/65/93/626016593.db2.gz BHJYEKWQYKQILK-QGZVFWFLSA-N 1 1 263.344 3.194 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCC)CC1 ZINC001004326942 626037733 /nfs/dbraw/zinc/03/77/33/626037733.db2.gz PKIKMVSPIOBKRE-HNNXBMFYSA-N 1 1 298.858 3.242 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000839524455 626356234 /nfs/dbraw/zinc/35/62/34/626356234.db2.gz GECVPVTYOBEDDR-XYPHTWIQSA-N 1 1 290.382 3.406 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)[C@@H]1C ZINC000752089631 626418842 /nfs/dbraw/zinc/41/88/42/626418842.db2.gz WVZNTYXTYZGGGM-VXGBXAGGSA-N 1 1 278.783 3.473 20 30 CGEDMO CCN(C)c1ccc(C=[NH+]OCc2ccc(F)cc2)cn1 ZINC000790176942 626443942 /nfs/dbraw/zinc/44/39/42/626443942.db2.gz WNHLDRYYCICVTJ-UHFFFAOYSA-N 1 1 287.338 3.228 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC000753204697 626447783 /nfs/dbraw/zinc/44/77/83/626447783.db2.gz QWPHTABKLWCSKT-UHFFFAOYSA-N 1 1 251.732 3.324 20 30 CGEDMO C#CC[N@H+](Cc1ccc(F)cc1Cl)CC1CC1 ZINC000753204697 626447784 /nfs/dbraw/zinc/44/77/84/626447784.db2.gz QWPHTABKLWCSKT-UHFFFAOYSA-N 1 1 251.732 3.324 20 30 CGEDMO C[C@@H]1CC(N=Nc2ccc(C(F)(F)F)cn2)C[N@H+]1C1CC1 ZINC000753956272 626470053 /nfs/dbraw/zinc/47/00/53/626470053.db2.gz WDEDZQHBASMRFN-SECBINFHSA-N 1 1 298.312 3.125 20 30 CGEDMO CCc1ccccc1N=NC1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000753956977 626470208 /nfs/dbraw/zinc/47/02/08/626470208.db2.gz YYRUZBWTRDYWJW-GFCCVEGCSA-N 1 1 257.381 3.274 20 30 CGEDMO C#CCOc1ccc(CNc2ccc(C)[nH+]c2N(C)C)cc1 ZINC000754064757 626473919 /nfs/dbraw/zinc/47/39/19/626473919.db2.gz QDCRBKXUVMJOQC-UHFFFAOYSA-N 1 1 295.386 3.080 20 30 CGEDMO Cc1c(N=NC2C[N@@H+](C(C)C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000754259371 626565341 /nfs/dbraw/zinc/56/53/41/626565341.db2.gz NJGQDTAPEULCRT-LLVKDONJSA-N 1 1 290.367 3.031 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@H+]2CC[C@H](C)[C@@H]2C)c1O ZINC000754736089 626585449 /nfs/dbraw/zinc/58/54/49/626585449.db2.gz FTHFWXGLLVWJEL-STQMWFEESA-N 1 1 275.392 3.360 20 30 CGEDMO CCCCCCCCNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000755078794 626599792 /nfs/dbraw/zinc/59/97/92/626599792.db2.gz RMOKKFNQEFRZIA-CVEARBPZSA-N 1 1 297.487 3.471 20 30 CGEDMO CC(C)[C@@H]1CC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000755919090 626660539 /nfs/dbraw/zinc/66/05/39/626660539.db2.gz FUZKFTSZFOUFAX-QGZVFWFLSA-N 1 1 294.402 3.357 20 30 CGEDMO CC(C)[C@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000755989956 626666438 /nfs/dbraw/zinc/66/64/38/626666438.db2.gz QRCFKVQHDKUPAD-HNNXBMFYSA-N 1 1 258.365 3.067 20 30 CGEDMO C#CC[N@@H+](Cc1cn2ccccc2c1C#N)C1CCCC1 ZINC000756912081 626741027 /nfs/dbraw/zinc/74/10/27/626741027.db2.gz UXKZSZULPYWYPP-UHFFFAOYSA-N 1 1 277.371 3.189 20 30 CGEDMO CCc1[nH+]ccn1Cc1cc(Cl)ccc1OCC#N ZINC000756922585 626742181 /nfs/dbraw/zinc/74/21/81/626742181.db2.gz JIVRSTFXEPDNRM-UHFFFAOYSA-N 1 1 275.739 3.050 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CC=C(c2ccc(C)cc2)CC1 ZINC000760808000 626992829 /nfs/dbraw/zinc/99/28/29/626992829.db2.gz XRHFCBBSENMFSP-GOSISDBHSA-N 1 1 271.404 3.411 20 30 CGEDMO C[C@H]1CC(N=Nc2nc(-c3ccccc3)cs2)C[N@@H+]1C ZINC000761803455 627061657 /nfs/dbraw/zinc/06/16/57/627061657.db2.gz BIHCBLGGGWBKLO-NSHDSACASA-N 1 1 286.404 3.302 20 30 CGEDMO C[C@H]1CC(N=Nc2nc(-c3ccccc3)cs2)C[N@H+]1C ZINC000761803455 627061661 /nfs/dbraw/zinc/06/16/61/627061661.db2.gz BIHCBLGGGWBKLO-NSHDSACASA-N 1 1 286.404 3.302 20 30 CGEDMO C#CC[N@@H+](Cc1cccc(OCC)c1OC(F)F)C1CC1 ZINC000764675777 627217828 /nfs/dbraw/zinc/21/78/28/627217828.db2.gz AQTKIRQDDHFCHO-UHFFFAOYSA-N 1 1 295.329 3.284 20 30 CGEDMO C#CC[N@H+](Cc1cccc(OCC)c1OC(F)F)C1CC1 ZINC000764675777 627217831 /nfs/dbraw/zinc/21/78/31/627217831.db2.gz AQTKIRQDDHFCHO-UHFFFAOYSA-N 1 1 295.329 3.284 20 30 CGEDMO FC(F)(F)c1ccccc1N=NC1CC[N@H+]2CCC[C@@H]12 ZINC000765541751 627257713 /nfs/dbraw/zinc/25/77/13/627257713.db2.gz BXSXSFOELWNATL-ZDUSSCGKSA-N 1 1 283.297 3.341 20 30 CGEDMO FC(F)(F)c1cccc(N=NC2CC[N@H+]3CCC[C@@H]23)c1 ZINC000765548828 627258785 /nfs/dbraw/zinc/25/87/85/627258785.db2.gz OFVBXTQLHBIDBH-ZDUSSCGKSA-N 1 1 283.297 3.341 20 30 CGEDMO Brc1ccc(N=NC2CC[N@H+]3CCC[C@@H]23)cc1 ZINC000765572945 627259671 /nfs/dbraw/zinc/25/96/71/627259671.db2.gz QLDRBFYVMQMKCT-ZDUSSCGKSA-N 1 1 294.196 3.085 20 30 CGEDMO FC(F)(F)c1ccc(N=NC2CC[N@H+]3CCC[C@@H]23)cc1 ZINC000765582967 627260942 /nfs/dbraw/zinc/26/09/42/627260942.db2.gz CUVANTIDXZMYDQ-ZDUSSCGKSA-N 1 1 283.297 3.341 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000766666423 627351581 /nfs/dbraw/zinc/35/15/81/627351581.db2.gz UHPICKBWLVTAFL-GFCCVEGCSA-N 1 1 275.392 3.152 20 30 CGEDMO N#CC1(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)CC1 ZINC000767120293 627383666 /nfs/dbraw/zinc/38/36/66/627383666.db2.gz RNIXNTFRXCLOSV-CVEARBPZSA-N 1 1 288.366 3.017 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767881994 627440676 /nfs/dbraw/zinc/44/06/76/627440676.db2.gz GPWSNHSWBXYNTB-UKRRQHHQSA-N 1 1 299.336 3.432 20 30 CGEDMO COCCOc1cccc(C[N@H+](CCC#N)CC(C)C)c1 ZINC000768155238 627464047 /nfs/dbraw/zinc/46/40/47/627464047.db2.gz XDQKRGUXJDBCCP-UHFFFAOYSA-N 1 1 290.407 3.083 20 30 CGEDMO COCCOc1cccc(C[N@@H+](CCC#N)CC(C)C)c1 ZINC000768155238 627464050 /nfs/dbraw/zinc/46/40/50/627464050.db2.gz XDQKRGUXJDBCCP-UHFFFAOYSA-N 1 1 290.407 3.083 20 30 CGEDMO C#CCOc1ccccc1C[N@H+](CC1CC1)C(C)C ZINC000768673152 627492338 /nfs/dbraw/zinc/49/23/38/627492338.db2.gz IPEDVSWFTNIQRX-UHFFFAOYSA-N 1 1 257.377 3.319 20 30 CGEDMO CC[N@@H+](Cc1cncc2ccccc21)C[C@@H](C)C#N ZINC000768880824 627505966 /nfs/dbraw/zinc/50/59/66/627505966.db2.gz JLPCTRDHRJQWLW-ZDUSSCGKSA-N 1 1 253.349 3.216 20 30 CGEDMO CC[N@H+](Cc1cncc2ccccc21)C[C@@H](C)C#N ZINC000768880824 627505968 /nfs/dbraw/zinc/50/59/68/627505968.db2.gz JLPCTRDHRJQWLW-ZDUSSCGKSA-N 1 1 253.349 3.216 20 30 CGEDMO C#CC[N@@H+](CC)Cc1cn(-c2ccc(Cl)cc2)nc1C ZINC000769103879 627522609 /nfs/dbraw/zinc/52/26/09/627522609.db2.gz DJKXISYKEUXXAT-UHFFFAOYSA-N 1 1 287.794 3.289 20 30 CGEDMO C#CC[N@H+](CC)Cc1cn(-c2ccc(Cl)cc2)nc1C ZINC000769103879 627522611 /nfs/dbraw/zinc/52/26/11/627522611.db2.gz DJKXISYKEUXXAT-UHFFFAOYSA-N 1 1 287.794 3.289 20 30 CGEDMO C#CC[N@@H+](CC)Cc1ccc(-c2ccncc2)cc1F ZINC000769107475 627523496 /nfs/dbraw/zinc/52/34/96/627523496.db2.gz VTXNRTIFEQPXCL-UHFFFAOYSA-N 1 1 268.335 3.343 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccc(-c2ccncc2)cc1F ZINC000769107475 627523498 /nfs/dbraw/zinc/52/34/98/627523498.db2.gz VTXNRTIFEQPXCL-UHFFFAOYSA-N 1 1 268.335 3.343 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)cc1 ZINC000769447831 627553554 /nfs/dbraw/zinc/55/35/54/627553554.db2.gz YBQHPDRRSAGJPY-KBPBESRZSA-N 1 1 275.417 3.024 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)CCc1cccc(OC(F)(F)F)c1 ZINC000769961000 627592755 /nfs/dbraw/zinc/59/27/55/627592755.db2.gz KLWHRXCZEIOMBF-LLVKDONJSA-N 1 1 271.282 3.081 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)CCSc1ccc(Cl)cc1 ZINC000769978382 627594342 /nfs/dbraw/zinc/59/43/42/627594342.db2.gz XRIQIFQFFLPHSC-LLVKDONJSA-N 1 1 253.798 3.386 20 30 CGEDMO CC(C)[C@H]1CC[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000770307249 627612739 /nfs/dbraw/zinc/61/27/39/627612739.db2.gz QTRAQMXAXYIGAD-HOCLYGCPSA-N 1 1 272.392 3.455 20 30 CGEDMO C[C@H](C#N)CNN=C1CCCC[C@@H]1[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000771103410 627683068 /nfs/dbraw/zinc/68/30/68/627683068.db2.gz MAXKTWPUVYXUPW-DLTWYDFYSA-N 1 1 290.455 3.012 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C#N)c(C)c1)C1CCCC1 ZINC000774908685 628049430 /nfs/dbraw/zinc/04/94/30/628049430.db2.gz IZURXVXWMBNXKU-UHFFFAOYSA-N 1 1 252.361 3.245 20 30 CGEDMO C=CC[C@H](C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C)c1ccccc1 ZINC000874833367 634629712 /nfs/dbraw/zinc/62/97/12/634629712.db2.gz KTEJJAVXANCWAM-RCCFBDPRSA-N 1 1 298.430 3.041 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)C[C@H](O)c1ccccc1 ZINC000778996898 628381495 /nfs/dbraw/zinc/38/14/95/628381495.db2.gz WAULQGWVRHRQQJ-KRWDZBQOSA-N 1 1 271.360 3.044 20 30 CGEDMO C#CC[N@H+](CC)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000779000733 628382841 /nfs/dbraw/zinc/38/28/41/628382841.db2.gz YUBSQNDFXZLEFM-UHFFFAOYSA-N 1 1 273.376 3.097 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)cc1 ZINC000779188452 628393274 /nfs/dbraw/zinc/39/32/74/628393274.db2.gz ODCUGRSSTSOJSQ-LJQANCHMSA-N 1 1 299.414 3.090 20 30 CGEDMO CC(N=Nc1ccccn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779760062 628426966 /nfs/dbraw/zinc/42/69/66/628426966.db2.gz RMSVJJAZYBLZET-QGZVFWFLSA-N 1 1 294.402 3.392 20 30 CGEDMO COc1ccc(C=NNc2cc[nH+]cc2)c2ccccc12 ZINC000779808914 628433414 /nfs/dbraw/zinc/43/34/14/628433414.db2.gz CAGOHLRZKHLZFN-UHFFFAOYSA-N 1 1 277.327 3.111 20 30 CGEDMO Clc1ccc(C=NNc2cc[nH+]cc2)c(Cl)c1 ZINC000779810848 628433914 /nfs/dbraw/zinc/43/39/14/628433914.db2.gz JTBDHUWHRBMEHG-UHFFFAOYSA-N 1 1 266.131 3.256 20 30 CGEDMO CC1(C#N)CC[NH+](Cn2ccc(-c3ccccc3)n2)CC1 ZINC000779879251 628439975 /nfs/dbraw/zinc/43/99/75/628439975.db2.gz SLPXWQJHTNTIIU-UHFFFAOYSA-N 1 1 280.375 3.133 20 30 CGEDMO N#CCC[N@@H+](CC1CC1)C[C@@H]1CCc2ccccc21 ZINC000780293349 628479252 /nfs/dbraw/zinc/47/92/52/628479252.db2.gz SWHXEAXEXBIUHU-INIZCTEOSA-N 1 1 254.377 3.342 20 30 CGEDMO C#CCCCCCC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000780399267 628486553 /nfs/dbraw/zinc/48/65/53/628486553.db2.gz TVXZFPMEFHTOSX-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)c1ccc(F)cc1 ZINC000782185125 628621817 /nfs/dbraw/zinc/62/18/17/628621817.db2.gz WXOQKFMOZVKDPM-UGSOOPFHSA-N 1 1 298.361 3.424 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1cc(F)c(F)c(F)c1 ZINC000783300211 628701343 /nfs/dbraw/zinc/70/13/43/628701343.db2.gz KMQWHEGTMCHBME-VIFPVBQESA-N 1 1 291.276 3.221 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1ccc(Br)cc1C#N ZINC000805753287 628751313 /nfs/dbraw/zinc/75/13/13/628751313.db2.gz NBNSHOUUFUQLIA-UHFFFAOYSA-N 1 1 291.192 3.164 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1ccc(Br)cc1C#N ZINC000805753287 628751316 /nfs/dbraw/zinc/75/13/16/628751316.db2.gz NBNSHOUUFUQLIA-UHFFFAOYSA-N 1 1 291.192 3.164 20 30 CGEDMO CCCCCCCC[N@H+]1CCOC[C@H]1[C@H]1CCCC1=O ZINC000784356518 628808576 /nfs/dbraw/zinc/80/85/76/628808576.db2.gz PXKDPSACGBZERE-CVEARBPZSA-N 1 1 281.440 3.417 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(OC(C)=O)cc1 ZINC000785998217 628906409 /nfs/dbraw/zinc/90/64/09/628906409.db2.gz ZHMIPFIIXXUGHS-OAHLLOKOSA-N 1 1 259.349 3.152 20 30 CGEDMO C=CCC[N@H+](C)Cn1cc(-c2ccc(C)cc2)cn1 ZINC000786101753 628914323 /nfs/dbraw/zinc/91/43/23/628914323.db2.gz PSJXKUOXGABCDD-UHFFFAOYSA-N 1 1 255.365 3.324 20 30 CGEDMO C#CCCC[N@H+](C)[C@H](COC)c1ccc(Cl)cc1 ZINC000786179066 628917578 /nfs/dbraw/zinc/91/75/78/628917578.db2.gz WALJTNQAOBPPAV-OAHLLOKOSA-N 1 1 265.784 3.373 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000786445126 628933456 /nfs/dbraw/zinc/93/34/56/628933456.db2.gz MOIIQCRBZPAOHQ-CYBMUJFWSA-N 1 1 257.736 3.020 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000786579855 628949567 /nfs/dbraw/zinc/94/95/67/628949567.db2.gz UYRFSLMLOGGMCZ-UHFFFAOYSA-N 1 1 291.395 3.437 20 30 CGEDMO N#Cc1cccc(COC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)c1 ZINC000786886295 628968913 /nfs/dbraw/zinc/96/89/13/628968913.db2.gz XIZCVSWOYUTUDW-KRWDZBQOSA-N 1 1 298.386 3.008 20 30 CGEDMO C#CC[N@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000787416399 629011391 /nfs/dbraw/zinc/01/13/91/629011391.db2.gz NGBLNMAAPLTAAE-JLHYYAGUSA-N 1 1 270.332 3.096 20 30 CGEDMO CC[C@@H](c1ccccc1OC)[N@@H+](C)CCO[C@@H](C)C#N ZINC000805836588 629012312 /nfs/dbraw/zinc/01/23/12/629012312.db2.gz SXXFDPMIQOQXNZ-ZFWWWQNUSA-N 1 1 276.380 3.007 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)[C@H](C)c2ccccn2)cc1 ZINC000787773742 629029418 /nfs/dbraw/zinc/02/94/18/629029418.db2.gz DTIRSPDHGPVESU-CQSZACIVSA-N 1 1 250.345 3.256 20 30 CGEDMO C#CC[N@H+](CC[C@H](C)OCc1ccccc1)C1CC1 ZINC000789379685 629128738 /nfs/dbraw/zinc/12/87/38/629128738.db2.gz WDJTVYRGDMOCIR-HNNXBMFYSA-N 1 1 257.377 3.079 20 30 CGEDMO C#C[C@H](CC)OC(=O)c1ccc(C[N@H+](CC)CCC)cc1 ZINC000805918315 629195727 /nfs/dbraw/zinc/19/57/27/629195727.db2.gz PHNDROXXUAEYFS-QGZVFWFLSA-N 1 1 287.403 3.487 20 30 CGEDMO CC(=[NH+][N-]c1[nH+]ccn1C)c1ccc(N2CCCCC2)cc1 ZINC000790305212 629202113 /nfs/dbraw/zinc/20/21/13/629202113.db2.gz FCIQIMVYQBFTMP-UHFFFAOYSA-N 1 1 297.406 3.247 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)CC(OCC)OCC ZINC000791567052 629289219 /nfs/dbraw/zinc/28/92/19/629289219.db2.gz WPXYRJIXPDTUCI-UHFFFAOYSA-N 1 1 277.408 3.464 20 30 CGEDMO CCCCCCCCC[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000792231132 629350846 /nfs/dbraw/zinc/35/08/46/629350846.db2.gz KZFRQJTUARCLAY-HNNXBMFYSA-N 1 1 289.485 3.104 20 30 CGEDMO Fc1ccc(CC2C[NH+](CC#Cc3ccccc3)C2)cc1F ZINC000792264489 629353553 /nfs/dbraw/zinc/35/35/53/629353553.db2.gz PJTDILCTDPGTJF-UHFFFAOYSA-N 1 1 297.348 3.491 20 30 CGEDMO C#CC[N@@H+](C)CCCCOc1ccccc1C(F)(F)F ZINC000792302169 629355440 /nfs/dbraw/zinc/35/54/40/629355440.db2.gz OOLHAUJXGVDEMV-UHFFFAOYSA-N 1 1 285.309 3.429 20 30 CGEDMO CCCCCCCNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000875764912 634730283 /nfs/dbraw/zinc/73/02/83/634730283.db2.gz VMSLSXHIRIPZJG-JKSUJKDBSA-N 1 1 295.471 3.083 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000862442453 629375573 /nfs/dbraw/zinc/37/55/73/629375573.db2.gz CECDIKCIHSJJGB-CYBMUJFWSA-N 1 1 297.320 3.473 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2nc3ccc(F)cc3s2)C1 ZINC000862444571 629378662 /nfs/dbraw/zinc/37/86/62/629378662.db2.gz CCNHGOFHYRTYHN-NSHDSACASA-N 1 1 274.364 3.281 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000862445522 629379306 /nfs/dbraw/zinc/37/93/06/629379306.db2.gz VZYYANBLHFUQBR-AWEZNQCLSA-N 1 1 250.345 3.080 20 30 CGEDMO C=CCCCCC[C@@H](C)[NH2+]CC(C)(C)N1CCN(C)CC1 ZINC000793521589 629474334 /nfs/dbraw/zinc/47/43/34/629474334.db2.gz CQQAWEANCSHSSJ-QGZVFWFLSA-N 1 1 295.515 3.127 20 30 CGEDMO C[N@H+]1CCC(N=Nc2nccnc2C2CCC2)CC1(C)C ZINC000863113833 629476280 /nfs/dbraw/zinc/47/62/80/629476280.db2.gz UHNYIJHUFFJAII-UHFFFAOYSA-N 1 1 287.411 3.016 20 30 CGEDMO CC(CCc1ccc(Cl)s1)=[NH+]n1cccn1 ZINC000863164453 629487926 /nfs/dbraw/zinc/48/79/26/629487926.db2.gz KQHRYHHPQNWUFG-UHFFFAOYSA-N 1 1 253.758 3.455 20 30 CGEDMO N#Cc1c(F)cccc1C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000794544195 629553149 /nfs/dbraw/zinc/55/31/49/629553149.db2.gz JXNQJRJZJFKAMT-AWEZNQCLSA-N 1 1 281.334 3.082 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000794544195 629553153 /nfs/dbraw/zinc/55/31/53/629553153.db2.gz JXNQJRJZJFKAMT-AWEZNQCLSA-N 1 1 281.334 3.082 20 30 CGEDMO CCCCCCCC[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000796556932 629800029 /nfs/dbraw/zinc/80/00/29/629800029.db2.gz QZMVCJORFAJTCZ-HZPDHXFCSA-N 1 1 269.429 3.227 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[NH+]2Cc3ccccc3C2)cc1 ZINC000119954226 629804755 /nfs/dbraw/zinc/80/47/55/629804755.db2.gz KNQQJJZULAGUMX-CQSZACIVSA-N 1 1 278.355 3.493 20 30 CGEDMO CCN(CC)c1ccc(C[NH2+]CC2(C#N)CC2)cc1F ZINC000797605902 629970029 /nfs/dbraw/zinc/97/00/29/629970029.db2.gz YBBHFEZGXXPLNM-UHFFFAOYSA-N 1 1 275.371 3.065 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3ccccn3)C2)cc1F ZINC000799195805 630157182 /nfs/dbraw/zinc/15/71/82/630157182.db2.gz LRWPHSBDQYXTLR-OAHLLOKOSA-N 1 1 281.334 3.082 20 30 CGEDMO C#CCCCC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000799631210 630204680 /nfs/dbraw/zinc/20/46/80/630204680.db2.gz HITKKMPZKOQHFF-SFHVURJKSA-N 1 1 299.414 3.388 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000801909283 630364048 /nfs/dbraw/zinc/36/40/48/630364048.db2.gz ABONTDZVOVVSTD-WFASDCNBSA-N 1 1 278.783 3.406 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000801913298 630364532 /nfs/dbraw/zinc/36/45/32/630364532.db2.gz SJSQWYXFTJTKIG-IUODEOHRSA-N 1 1 278.783 3.406 20 30 CGEDMO CCC[N@@H+](CCO[C@H](C)C#N)[C@H](C)c1ccccc1OC ZINC000801913247 630364752 /nfs/dbraw/zinc/36/47/52/630364752.db2.gz BQIDCLDURRZLHG-HUUCEWRRSA-N 1 1 290.407 3.397 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000801922136 630366599 /nfs/dbraw/zinc/36/65/99/630366599.db2.gz GFBYUJANBSBWJQ-UONOGXRCSA-N 1 1 262.353 3.125 20 30 CGEDMO CC[C@@H]1C[N@@H+](CCO[C@@H](C)C#N)CC[C@H]1c1ccccc1 ZINC000801924886 630368136 /nfs/dbraw/zinc/36/81/36/630368136.db2.gz ARAYWLHFHPDABT-LZLYRXPVSA-N 1 1 286.419 3.431 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@@H]1CCC1CCCC1 ZINC000801929180 630368482 /nfs/dbraw/zinc/36/84/82/630368482.db2.gz IFLXNGBCQRBJAT-GOEBONIOSA-N 1 1 264.413 3.350 20 30 CGEDMO C=CCCCCC[N@H+](C)CN1C(=O)[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000840008796 630488718 /nfs/dbraw/zinc/48/87/18/630488718.db2.gz WZYBPNZAOZRPTG-IRXDYDNUSA-N 1 1 290.451 3.269 20 30 CGEDMO CC(C)(C)c1ccc([C@@H]2CCC[N@H+]2C[C@H](O)CC#N)cc1 ZINC000809572117 630751972 /nfs/dbraw/zinc/75/19/72/630751972.db2.gz HSKYOVAGCNSFFX-SJORKVTESA-N 1 1 286.419 3.396 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CC[C@@H](c3ccccn3)C2)cc1 ZINC000809660829 630777393 /nfs/dbraw/zinc/77/73/93/630777393.db2.gz NXHWGYJFOSNREO-QGZVFWFLSA-N 1 1 262.356 3.052 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)C[C@H]1CCO[C@H](CC)C1 ZINC000809718871 630791357 /nfs/dbraw/zinc/79/13/57/630791357.db2.gz ZUDYEIVWCUFQHC-ZWKOTPCHSA-N 1 1 271.404 3.327 20 30 CGEDMO C=C(Br)C[N@H+](CC)[C@H]1CCOC(C)(C)C1 ZINC000810043071 630832406 /nfs/dbraw/zinc/83/24/06/630832406.db2.gz OMJLGWMJVMLPAK-NSHDSACASA-N 1 1 276.218 3.175 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@@H]1COC(=O)NC1CCCC1 ZINC000810033285 630832532 /nfs/dbraw/zinc/83/25/32/630832532.db2.gz DXFFMFGCNWXLCG-OAHLLOKOSA-N 1 1 280.412 3.086 20 30 CGEDMO C[NH+]1CCN(N=Cc2c[nH]c3ccc(C(C)(C)C)cc23)CC1 ZINC000811629267 631094255 /nfs/dbraw/zinc/09/42/55/631094255.db2.gz WGGFLVZPHGQHKM-UHFFFAOYSA-N 1 1 298.434 3.047 20 30 CGEDMO C#CC[N@@H+](Cn1nc(C(F)(F)F)cc1C)C1CCCCC1 ZINC000811737770 631116335 /nfs/dbraw/zinc/11/63/35/631116335.db2.gz PZHRXQDVRFRRDD-UHFFFAOYSA-N 1 1 299.340 3.436 20 30 CGEDMO C#CC[N@H+](Cn1nc(C(F)(F)F)cc1C)C1CCCCC1 ZINC000811737770 631116337 /nfs/dbraw/zinc/11/63/37/631116337.db2.gz PZHRXQDVRFRRDD-UHFFFAOYSA-N 1 1 299.340 3.436 20 30 CGEDMO CC(=[NH+]NCCC(C)(C)C)c1cc(N)ccc1F ZINC000814901751 631671535 /nfs/dbraw/zinc/67/15/35/631671535.db2.gz WGCZCPCNECKDJF-UHFFFAOYSA-N 1 1 251.349 3.158 20 30 CGEDMO CC1(C)Cc2nc(N)sc2C(=[NH+]NCC2CCCC2)C1 ZINC000814933320 631688851 /nfs/dbraw/zinc/68/88/51/631688851.db2.gz KYVYFAGAOLBMGL-UHFFFAOYSA-N 1 1 292.452 3.182 20 30 CGEDMO CCC(=[NH+]OCC1CC1)c1ccc(Cl)c(N)c1 ZINC000814940896 631693599 /nfs/dbraw/zinc/69/35/99/631693599.db2.gz FSSXFOBZFCAKAW-UHFFFAOYSA-N 1 1 252.745 3.463 20 30 CGEDMO C[C@@H]1C(=NOCC2CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000814941203 631693947 /nfs/dbraw/zinc/69/39/47/631693947.db2.gz QFEJQPALJOBKEW-CQSZACIVSA-N 1 1 272.392 3.454 20 30 CGEDMO CCOc1ccc(N=NC2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000814985244 631702620 /nfs/dbraw/zinc/70/26/20/631702620.db2.gz YJXJNBQQUVQXKC-GFCCVEGCSA-N 1 1 273.380 3.110 20 30 CGEDMO N#CCCOCC[N@@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000815065139 631710493 /nfs/dbraw/zinc/71/04/93/631710493.db2.gz RRNCQTQSDVLSFM-SFHVURJKSA-N 1 1 284.403 3.459 20 30 CGEDMO Cc1cc(C[N@@H+](C)CC(C)(C)C#N)ccc1N(C)C ZINC000815124328 631722745 /nfs/dbraw/zinc/72/27/45/631722745.db2.gz SMWDWBBDYCIOAG-UHFFFAOYSA-N 1 1 259.397 3.043 20 30 CGEDMO C[C@H]([NH2+]CCCC#N)c1cccc(C(F)(F)F)c1O ZINC000815615060 631805368 /nfs/dbraw/zinc/80/53/68/631805368.db2.gz HCYXUSKPJIVCOA-VIFPVBQESA-N 1 1 272.270 3.365 20 30 CGEDMO C#CC[N@@H+](Cc1conc1CC)[C@H]1CCc2ccccc21 ZINC000816498060 631994078 /nfs/dbraw/zinc/99/40/78/631994078.db2.gz DVKAFDSDJQYTQD-SFHVURJKSA-N 1 1 280.371 3.360 20 30 CGEDMO C#CC[N@H+](Cc1conc1CC)[C@H]1CCc2ccccc21 ZINC000816498060 631994088 /nfs/dbraw/zinc/99/40/88/631994088.db2.gz DVKAFDSDJQYTQD-SFHVURJKSA-N 1 1 280.371 3.360 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCOC[C@@H]2CC2CCC2)cc1 ZINC000816667341 632041758 /nfs/dbraw/zinc/04/17/58/632041758.db2.gz KLSIQKFMUWYTCR-SFHVURJKSA-N 1 1 269.388 3.059 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1ccc(Cl)cn1 ZINC000879432996 635787784 /nfs/dbraw/zinc/78/77/84/635787784.db2.gz RTUQDBYOTCXSJU-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO COc1ccc(C[NH2+][C@H]2C[C@@]2(F)c2ccccc2)cc1C#N ZINC000818230010 632299721 /nfs/dbraw/zinc/29/97/21/632299721.db2.gz LUWVNYZQPBHYEJ-ZWKOTPCHSA-N 1 1 296.345 3.294 20 30 CGEDMO FC1(F)CC1=C[NH2+]Nc1cc(Cl)nc(Cl)c1 ZINC000819829002 632526639 /nfs/dbraw/zinc/52/66/39/632526639.db2.gz YESCXUWCUBDKTR-RXMQYKEDSA-N 1 1 266.078 3.441 20 30 CGEDMO C=C(C)C(C)(C)C(=O)OC[C@@H]1CCC[N@H+]1Cc1ccco1 ZINC000820376167 632614171 /nfs/dbraw/zinc/61/41/71/632614171.db2.gz NGLSFKSGAXWGKE-AWEZNQCLSA-N 1 1 291.391 3.390 20 30 CGEDMO C=C(Br)C[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000105453738 635831814 /nfs/dbraw/zinc/83/18/14/635831814.db2.gz USWUGLFELVSMAG-GZMMTYOYSA-N 1 1 270.170 3.401 20 30 CGEDMO Cc1occc1C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866246039 633043833 /nfs/dbraw/zinc/04/38/33/633043833.db2.gz GDSBJBXKXAYVPO-SNVBAGLBSA-N 1 1 256.305 3.016 20 30 CGEDMO C#CCNC(=O)CC[N@H+]([C@H](C)c1ccccc1)C1CCCC1 ZINC000823110322 633061458 /nfs/dbraw/zinc/06/14/58/633061458.db2.gz QDLUJMZETOCOED-MRXNPFEDSA-N 1 1 298.430 3.132 20 30 CGEDMO Cc1cccc(C2(c3noc([C@H]([NH3+])CCCC#N)n3)CC2)c1 ZINC000823235730 633079098 /nfs/dbraw/zinc/07/90/98/633079098.db2.gz VISGIEUFZODPPU-CQSZACIVSA-N 1 1 296.374 3.152 20 30 CGEDMO C=CCCC[N@H+](C)C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000823458913 633109324 /nfs/dbraw/zinc/10/93/24/633109324.db2.gz JPDADBGPVNWAOC-YOEHRIQHSA-N 1 1 294.439 3.141 20 30 CGEDMO C[C@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)c1ccc(F)cc1O ZINC000866617286 633216244 /nfs/dbraw/zinc/21/62/44/633216244.db2.gz GSBRYBIJCYGOKE-MEDUHNTESA-N 1 1 296.345 3.221 20 30 CGEDMO C#CC[N@@H+](Cc1ccnn1CCC)[C@H]1CCc2ccccc21 ZINC000824474294 633249278 /nfs/dbraw/zinc/24/92/78/633249278.db2.gz MLFZYNBWNKSCSA-IBGZPJMESA-N 1 1 293.414 3.416 20 30 CGEDMO C#CC[N@H+](Cc1ccnn1CCC)[C@H]1CCc2ccccc21 ZINC000824474294 633249281 /nfs/dbraw/zinc/24/92/81/633249281.db2.gz MLFZYNBWNKSCSA-IBGZPJMESA-N 1 1 293.414 3.416 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000825340845 633347651 /nfs/dbraw/zinc/34/76/51/633347651.db2.gz RKOZQNIKEQWKGU-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000826861305 633438105 /nfs/dbraw/zinc/43/81/05/633438105.db2.gz DRIGMOJRGSQFAS-SNVBAGLBSA-N 1 1 282.746 3.310 20 30 CGEDMO N#CC[C@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000826861305 633438112 /nfs/dbraw/zinc/43/81/12/633438112.db2.gz DRIGMOJRGSQFAS-SNVBAGLBSA-N 1 1 282.746 3.310 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2c(Cl)n(C)nc2CC)C1 ZINC000826946047 633445246 /nfs/dbraw/zinc/44/52/46/633445246.db2.gz DGAPXOBGLWXYCZ-GFCCVEGCSA-N 1 1 281.831 3.424 20 30 CGEDMO C=C(C)C[N@@H+](CC)C[C@@H]1CN(C2CCCCC2)C(=O)O1 ZINC000827726208 633512994 /nfs/dbraw/zinc/51/29/94/633512994.db2.gz VIWOAWBKFANUJJ-OAHLLOKOSA-N 1 1 280.412 3.038 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000870119756 633533087 /nfs/dbraw/zinc/53/30/87/633533087.db2.gz DTXNUEKVTKGYRL-INIZCTEOSA-N 1 1 298.430 3.248 20 30 CGEDMO C=CCCCC[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000828059607 633554770 /nfs/dbraw/zinc/55/47/70/633554770.db2.gz VMNAFOHNZKYJIW-ZWKOTPCHSA-N 1 1 289.419 3.167 20 30 CGEDMO C=C(C)C[N@@H+](CCC(=O)CC(C)C)Cc1ccc(CO)o1 ZINC000828524801 633624035 /nfs/dbraw/zinc/62/40/35/633624035.db2.gz GLXFKNNRFHDKJF-UHFFFAOYSA-N 1 1 293.407 3.155 20 30 CGEDMO C=C(C)C[N@H+](CCC(=O)CC(C)C)Cc1ccc(CO)o1 ZINC000828524801 633624041 /nfs/dbraw/zinc/62/40/41/633624041.db2.gz GLXFKNNRFHDKJF-UHFFFAOYSA-N 1 1 293.407 3.155 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@@]1(C)Cc1ccccc1F ZINC000829764763 633779242 /nfs/dbraw/zinc/77/92/42/633779242.db2.gz WQMFSCSMQHCNIP-PBHICJAKSA-N 1 1 290.382 3.151 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C)C1 ZINC000829773796 633780636 /nfs/dbraw/zinc/78/06/36/633780636.db2.gz JWZDNCSMQFRHQR-JKSUJKDBSA-N 1 1 284.403 3.057 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000829778542 633782039 /nfs/dbraw/zinc/78/20/39/633782039.db2.gz DUUCUQLUKASVHY-DLBZAZTESA-N 1 1 298.430 3.366 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](CCCOCCc2ccccc2)C1 ZINC000829779458 633782088 /nfs/dbraw/zinc/78/20/88/633782088.db2.gz VEWUIYJPEAOZPJ-LJQANCHMSA-N 1 1 285.431 3.371 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000829784927 633784508 /nfs/dbraw/zinc/78/45/08/633784508.db2.gz OCJZHUJNLHGECI-CZUORRHYSA-N 1 1 277.795 3.109 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C)C1 ZINC000829804026 633789363 /nfs/dbraw/zinc/78/93/63/633789363.db2.gz DZFMFAVLPVDYPB-MRXNPFEDSA-N 1 1 284.403 3.059 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2csc(C3CC3)n2)C1 ZINC000829804652 633789770 /nfs/dbraw/zinc/78/97/70/633789770.db2.gz JMHYQOUPJZGDFA-LBPRGKRZSA-N 1 1 260.406 3.256 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cccc(COC)c2)C1 ZINC000829805652 633790053 /nfs/dbraw/zinc/79/00/53/633790053.db2.gz VSRMNXSNGMKLGD-HNNXBMFYSA-N 1 1 257.377 3.068 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(COC)cc2)C1 ZINC000829815603 633796442 /nfs/dbraw/zinc/79/64/42/633796442.db2.gz PENJLXDWVRNXTC-OAHLLOKOSA-N 1 1 257.377 3.068 20 30 CGEDMO C#CC1CC[NH+](Cc2ncc(-c3cccs3)o2)CC1 ZINC000830326106 633849947 /nfs/dbraw/zinc/84/99/47/633849947.db2.gz BVTXVTVLOQJEJS-UHFFFAOYSA-N 1 1 272.373 3.248 20 30 CGEDMO N#CCCOCC[N@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000830763896 633886245 /nfs/dbraw/zinc/88/62/45/633886245.db2.gz CGZMLINPVCAXBE-KRWDZBQOSA-N 1 1 282.387 3.310 20 30 CGEDMO C[N@H+](CCCC(C)(C)C#N)Cc1csc(C(C)(C)O)n1 ZINC000832379884 634054528 /nfs/dbraw/zinc/05/45/28/634054528.db2.gz VPQNBXKLPWQTFX-UHFFFAOYSA-N 1 1 295.452 3.132 20 30 CGEDMO C[N@@H+](CCCC(C)(C)C#N)Cc1csc(C(C)(C)O)n1 ZINC000832379884 634054534 /nfs/dbraw/zinc/05/45/34/634054534.db2.gz VPQNBXKLPWQTFX-UHFFFAOYSA-N 1 1 295.452 3.132 20 30 CGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(CCC(C)(C)C)no1 ZINC000872182058 634079864 /nfs/dbraw/zinc/07/98/64/634079864.db2.gz SNOOCDVUSXSKBD-SECBINFHSA-N 1 1 257.765 3.191 20 30 CGEDMO C=C(Cl)C[C@H]([NH3+])c1nc(CCC(C)(C)C)no1 ZINC000872182059 634080421 /nfs/dbraw/zinc/08/04/21/634080421.db2.gz SNOOCDVUSXSKBD-VIFPVBQESA-N 1 1 257.765 3.191 20 30 CGEDMO C=C(Cl)C[C@H]([NH3+])c1nc(C2(COC)CCCCC2)no1 ZINC000872183033 634081280 /nfs/dbraw/zinc/08/12/80/634081280.db2.gz YGWRCHCVNTYOAP-NSHDSACASA-N 1 1 299.802 3.060 20 30 CGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ccc3c(c2)CCC3)no1 ZINC000872182554 634081754 /nfs/dbraw/zinc/08/17/54/634081754.db2.gz NZKMYUBRBCOBPF-CYBMUJFWSA-N 1 1 289.766 3.368 20 30 CGEDMO Cc1ccc(C)c(N[NH+]=C2CCCc3nc(N)ccc32)c1 ZINC000834928637 634289057 /nfs/dbraw/zinc/28/90/57/634289057.db2.gz BCRQIAPYILJRKA-UHFFFAOYSA-N 1 1 280.375 3.433 20 30 CGEDMO CSc1ccc(N=NC2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000834999994 634307391 /nfs/dbraw/zinc/30/73/91/634307391.db2.gz ZTBGBQXZFCJTJY-LLVKDONJSA-N 1 1 275.421 3.433 20 30 CGEDMO CC(=NOC(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000835000896 634308105 /nfs/dbraw/zinc/30/81/05/634308105.db2.gz AGOOSKRENGLOKK-INIZCTEOSA-N 1 1 260.381 3.309 20 30 CGEDMO C=CCON=C(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000835012981 634317035 /nfs/dbraw/zinc/31/70/35/634317035.db2.gz COVGBIQFFZZBDN-MRXNPFEDSA-N 1 1 258.365 3.087 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1ccc(F)c(Br)c1 ZINC000124498525 634330129 /nfs/dbraw/zinc/33/01/29/634330129.db2.gz FVFXBMAYSUTVCR-UHFFFAOYSA-N 1 1 278.552 3.430 20 30 CGEDMO C#CCCCCCC[N@H+](C)CCc1nccs1 ZINC000876790468 634899320 /nfs/dbraw/zinc/89/93/20/634899320.db2.gz ITMYYHIRUQEBJX-UHFFFAOYSA-N 1 1 250.411 3.201 20 30 CGEDMO CC[C@@H](C)C[N@@H+](CC)Cc1cc(C#N)cnc1Cl ZINC000876791369 634899405 /nfs/dbraw/zinc/89/94/05/634899405.db2.gz LFJTVKSPCRCFQT-LLVKDONJSA-N 1 1 265.788 3.475 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@@H]1COC(=O)CCCCCC#N ZINC000837728217 634974258 /nfs/dbraw/zinc/97/42/58/634974258.db2.gz AVDSCLXXCIAXKY-OAHLLOKOSA-N 1 1 280.412 3.267 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000877560398 635090646 /nfs/dbraw/zinc/09/06/46/635090646.db2.gz POWRDEPSLSYUNU-MRXNPFEDSA-N 1 1 292.467 3.184 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2c(Cl)cncc2Cl)C1 ZINC000877650182 635131937 /nfs/dbraw/zinc/13/19/37/635131937.db2.gz HBQFCEAWOCWTNU-JTQLQIEISA-N 1 1 269.175 3.234 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2c(Cl)cncc2Cl)C1 ZINC000877650182 635131939 /nfs/dbraw/zinc/13/19/39/635131939.db2.gz HBQFCEAWOCWTNU-JTQLQIEISA-N 1 1 269.175 3.234 20 30 CGEDMO Cc1ccc(C[N@H+]2CCc3c(CC#N)cccc3C2)c(O)c1 ZINC000877660328 635135027 /nfs/dbraw/zinc/13/50/27/635135027.db2.gz LRSGOJBHCBJJFP-UHFFFAOYSA-N 1 1 292.382 3.325 20 30 CGEDMO Cc1ncc([C@@H](C)[NH2+]Cc2cc(C#N)cnc2Cl)s1 ZINC000877685429 635146570 /nfs/dbraw/zinc/14/65/70/635146570.db2.gz ZANAEWAXTHHOIC-MRVPVSSYSA-N 1 1 292.795 3.222 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1cc(C#N)cs1 ZINC000877703926 635154922 /nfs/dbraw/zinc/15/49/22/635154922.db2.gz GNWUIKISIOBLHV-UHFFFAOYSA-N 1 1 281.384 3.166 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2Cc3cccc(O)c3C2)cc1 ZINC000877703719 635155838 /nfs/dbraw/zinc/15/58/38/635155838.db2.gz QUIBOZWHXACTHI-ZDUSSCGKSA-N 1 1 294.354 3.199 20 30 CGEDMO COc1cccc(C[N@@H+](C)CCc2cccc(C#N)c2)c1 ZINC000877703794 635156049 /nfs/dbraw/zinc/15/60/49/635156049.db2.gz DLMRSGQIAYXSMV-UHFFFAOYSA-N 1 1 280.371 3.241 20 30 CGEDMO CC([NH2+]Nc1cccc([N+](=O)[O-])c1C)=C1CC1(F)F ZINC000841626864 635200769 /nfs/dbraw/zinc/20/07/69/635200769.db2.gz LQCVVYSCSZIAAO-SECBINFHSA-N 1 1 269.251 3.346 20 30 CGEDMO CC([NH2+]Nc1ccc([N+](=O)[O-])cc1C)=C1CC1(F)F ZINC000841636661 635203822 /nfs/dbraw/zinc/20/38/22/635203822.db2.gz BUWJFXMUVHNKIJ-JTQLQIEISA-N 1 1 269.251 3.346 20 30 CGEDMO CCCC[N@@H+](C)CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000877900044 635257956 /nfs/dbraw/zinc/25/79/56/635257956.db2.gz BHBQVYGOMWDZQY-QGZVFWFLSA-N 1 1 272.392 3.159 20 30 CGEDMO C#CCCCCC[N@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000877943664 635282070 /nfs/dbraw/zinc/28/20/70/635282070.db2.gz NTITURCVXQDBMK-MRXNPFEDSA-N 1 1 296.418 3.454 20 30 CGEDMO C#CCCCCCN1CCC[N@H+](C2CCCC2)CC1 ZINC000878122039 635366879 /nfs/dbraw/zinc/36/68/79/635366879.db2.gz VXUHFXKVCWWIJU-UHFFFAOYSA-N 1 1 262.441 3.130 20 30 CGEDMO C#CCCCCC[N@@H+]1CCCN(C2CCCC2)CC1 ZINC000878122039 635366883 /nfs/dbraw/zinc/36/68/83/635366883.db2.gz VXUHFXKVCWWIJU-UHFFFAOYSA-N 1 1 262.441 3.130 20 30 CGEDMO C#CCCCCC[N@H+]1CCCN(C2CCCC2)CC1 ZINC000878122039 635366889 /nfs/dbraw/zinc/36/68/89/635366889.db2.gz VXUHFXKVCWWIJU-UHFFFAOYSA-N 1 1 262.441 3.130 20 30 CGEDMO C=CC[C@H](C)[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000878159670 635386088 /nfs/dbraw/zinc/38/60/88/635386088.db2.gz QVLBBRWGBOLGOO-NSHDSACASA-N 1 1 250.411 3.418 20 30 CGEDMO N#CCC1(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)CC1 ZINC000878174160 635395874 /nfs/dbraw/zinc/39/58/74/635395874.db2.gz KOGHTJJDTYWUFH-UONOGXRCSA-N 1 1 290.432 3.330 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@H+]1CC[C@H](C2CC2)C1)c1ccccc1 ZINC000878324069 635461522 /nfs/dbraw/zinc/46/15/22/635461522.db2.gz HPCGTOYHUUFVSY-PKOBYXMFSA-N 1 1 296.414 3.159 20 30 CGEDMO C#CCCCCC[N@H+](C)C[C@@H](C)c1nccs1 ZINC000878407720 635493742 /nfs/dbraw/zinc/49/37/42/635493742.db2.gz ZKYHJTPETAXUDL-CYBMUJFWSA-N 1 1 250.411 3.372 20 30 CGEDMO C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccc(C#N)o2)C1 ZINC000878429030 635505315 /nfs/dbraw/zinc/50/53/15/635505315.db2.gz UYLSPNALGVOZBV-MLGOLLRUSA-N 1 1 267.332 3.129 20 30 CGEDMO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000878429030 635505321 /nfs/dbraw/zinc/50/53/21/635505321.db2.gz UYLSPNALGVOZBV-MLGOLLRUSA-N 1 1 267.332 3.129 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@@H+]1C[C@H](C)[C@@H](C)[C@H]1C)c1ccccc1 ZINC000878719016 635615292 /nfs/dbraw/zinc/61/52/92/635615292.db2.gz ZRMSROGYUMQPDK-WFXMFSGNSA-N 1 1 298.430 3.403 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)cc1 ZINC000843415605 635661107 /nfs/dbraw/zinc/66/11/07/635661107.db2.gz DCOQVEWFFZYVRS-PKOBYXMFSA-N 1 1 299.414 3.090 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CC[C@@H](c3cccnc3)C2)cc1 ZINC000843419677 635664713 /nfs/dbraw/zinc/66/47/13/635664713.db2.gz OUQIOVSCSDATJT-GOSISDBHSA-N 1 1 292.382 3.083 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(OC)c(C)c2)C1 ZINC000843423981 635668332 /nfs/dbraw/zinc/66/83/32/635668332.db2.gz NIWDINORTUMUGU-OAHLLOKOSA-N 1 1 257.377 3.239 20 30 CGEDMO N#CC[C@]1(O)CC[N@@H+](Cc2ccccc2-c2ccccc2)C1 ZINC000843425418 635670204 /nfs/dbraw/zinc/67/02/04/635670204.db2.gz NYTHIGFWTACUPM-IBGZPJMESA-N 1 1 292.382 3.204 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000879240736 635731316 /nfs/dbraw/zinc/73/13/16/635731316.db2.gz FWLGTWQMXLZTFP-ZBFHGGJFSA-N 1 1 290.451 3.064 20 30 CGEDMO Cc1cc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)ccc1N(C)C ZINC000879309756 635751933 /nfs/dbraw/zinc/75/19/33/635751933.db2.gz PZERUIURTIWBQF-RDJZCZTQSA-N 1 1 271.408 3.185 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879557617 635808902 /nfs/dbraw/zinc/80/89/02/635808902.db2.gz DETSNSGIJRSNNH-QWHCGFSZSA-N 1 1 252.427 3.001 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879557615 635809970 /nfs/dbraw/zinc/80/99/70/635809970.db2.gz DETSNSGIJRSNNH-OLZOCXBDSA-N 1 1 252.427 3.001 20 30 CGEDMO C=C(C)CC[N@@H+]1CCO[C@@H](c2ccccc2OC)C1 ZINC000879631452 635821880 /nfs/dbraw/zinc/82/18/80/635821880.db2.gz SRXKGKWFDHLXHN-MRXNPFEDSA-N 1 1 261.365 3.035 20 30 CGEDMO C=C(C)CC[N@H+]1CCO[C@@H](c2ccccc2OC)C1 ZINC000879631452 635821882 /nfs/dbraw/zinc/82/18/82/635821882.db2.gz SRXKGKWFDHLXHN-MRXNPFEDSA-N 1 1 261.365 3.035 20 30 CGEDMO COc1ccccc1[C@H]1CCC[N@H+](CCC#N)CC1 ZINC000879728308 635844292 /nfs/dbraw/zinc/84/42/92/635844292.db2.gz QCIVXQUHFQQRNX-AWEZNQCLSA-N 1 1 258.365 3.178 20 30 CGEDMO COc1ccccc1[C@H]1CCC[N@@H+](CCC#N)CC1 ZINC000879728308 635844298 /nfs/dbraw/zinc/84/42/98/635844298.db2.gz QCIVXQUHFQQRNX-AWEZNQCLSA-N 1 1 258.365 3.178 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000844433403 635899070 /nfs/dbraw/zinc/89/90/70/635899070.db2.gz FXSZHJZWONVCPO-CQSZACIVSA-N 1 1 262.303 3.179 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)c(F)c1 ZINC000844435967 635899636 /nfs/dbraw/zinc/89/96/36/635899636.db2.gz OJXFSUWYENBRAX-AWEZNQCLSA-N 1 1 280.293 3.319 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844436194 635899686 /nfs/dbraw/zinc/89/96/86/635899686.db2.gz FXUOWIQXPDUZOJ-CQSZACIVSA-N 1 1 280.293 3.319 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844436194 635899689 /nfs/dbraw/zinc/89/96/89/635899689.db2.gz FXUOWIQXPDUZOJ-CQSZACIVSA-N 1 1 280.293 3.319 20 30 CGEDMO C#CCC1(C(=O)NCCC[N@H+](C)CC(C)C)CCCCC1 ZINC000844653581 635950600 /nfs/dbraw/zinc/95/06/00/635950600.db2.gz ABUIWHWXROXRNO-UHFFFAOYSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCCC[C@H]([NH2+]Cc1nnc(C)[nH]1)c1ccccc1 ZINC000880389930 635992004 /nfs/dbraw/zinc/99/20/04/635992004.db2.gz LCXBQXYMIOVNFU-HNNXBMFYSA-N 1 1 270.380 3.300 20 30 CGEDMO C#CCC1(O)CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000880483663 636009143 /nfs/dbraw/zinc/00/91/43/636009143.db2.gz IPRCDUFOHZNOFM-UHFFFAOYSA-N 1 1 298.213 3.344 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000880578928 636026308 /nfs/dbraw/zinc/02/63/08/636026308.db2.gz UCKSGLWXWKTVFC-ZBFHGGJFSA-N 1 1 264.413 3.207 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2cc3cnccc3o2)C1 ZINC000845988164 636127045 /nfs/dbraw/zinc/12/70/45/636127045.db2.gz RGICQSFUFWRGOV-ZDUSSCGKSA-N 1 1 254.333 3.063 20 30 CGEDMO C[C@@H]1CCCC[C@@H]1C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000846006153 636128505 /nfs/dbraw/zinc/12/85/05/636128505.db2.gz GQQYIQCVGHAAQN-OLMNPRSZSA-N 1 1 286.419 3.350 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)cc1 ZINC000846115754 636146565 /nfs/dbraw/zinc/14/65/65/636146565.db2.gz AAGPMKIIJHHEEE-IUODEOHRSA-N 1 1 292.329 3.209 20 30 CGEDMO C=CCCCCCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000846147161 636150013 /nfs/dbraw/zinc/15/00/13/636150013.db2.gz NJADCJZIAOKEIA-HNNXBMFYSA-N 1 1 289.423 3.007 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cncc3ccccc32)C1 ZINC000847021937 636314366 /nfs/dbraw/zinc/31/43/66/636314366.db2.gz QVALYTDBTGOHSL-CQSZACIVSA-N 1 1 250.345 3.080 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000847027776 636316972 /nfs/dbraw/zinc/31/69/72/636316972.db2.gz WWKMZKHJNOQCMR-CYBMUJFWSA-N 1 1 284.334 3.326 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000847027776 636316978 /nfs/dbraw/zinc/31/69/78/636316978.db2.gz WWKMZKHJNOQCMR-CYBMUJFWSA-N 1 1 284.334 3.326 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(C(C)=O)ccc2OCC)C1 ZINC000847029228 636318249 /nfs/dbraw/zinc/31/82/49/636318249.db2.gz MBEOAIGRXJIPOL-OAHLLOKOSA-N 1 1 285.387 3.133 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(C(C)=O)ccc2OCC)C1 ZINC000847029228 636318257 /nfs/dbraw/zinc/31/82/57/636318257.db2.gz MBEOAIGRXJIPOL-OAHLLOKOSA-N 1 1 285.387 3.133 20 30 CGEDMO C[C@@H](CCC#N)[NH2+][C@H](Cc1ccccc1)c1ncco1 ZINC000847099850 636336124 /nfs/dbraw/zinc/33/61/24/636336124.db2.gz UYDKGKNVFMGEJR-DZGCQCFKSA-N 1 1 269.348 3.240 20 30 CGEDMO Cc1cccc(N=NC2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000848398975 636566827 /nfs/dbraw/zinc/56/68/27/636566827.db2.gz HGDWMXUVKLQZKW-INIZCTEOSA-N 1 1 257.381 3.411 20 30 CGEDMO Fc1cc(F)cc(N=NC2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000848403202 636567694 /nfs/dbraw/zinc/56/76/94/636567694.db2.gz OSMHHRAWOQDYNW-OAHLLOKOSA-N 1 1 279.334 3.381 20 30 CGEDMO Fc1cccc(N=NC2CCC[N@H+]3CCCC[C@@H]23)c1F ZINC000848406318 636568537 /nfs/dbraw/zinc/56/85/37/636568537.db2.gz LVXMKMYCIWOKBN-AWEZNQCLSA-N 1 1 279.334 3.381 20 30 CGEDMO C=CCCC[C@@H]([NH2+]CCc1n[nH]c(C)n1)c1ccccc1 ZINC000883214448 636589972 /nfs/dbraw/zinc/58/99/72/636589972.db2.gz FWWIXCQLCWXWNI-MRXNPFEDSA-N 1 1 284.407 3.343 20 30 CGEDMO C=CCCC[C@@H]([NH2+]CCc1nnc(C)[nH]1)c1ccccc1 ZINC000883214448 636589977 /nfs/dbraw/zinc/58/99/77/636589977.db2.gz FWWIXCQLCWXWNI-MRXNPFEDSA-N 1 1 284.407 3.343 20 30 CGEDMO C=CCC[C@@H](Nc1cc(CCOC)cc[nH+]1)[C@@H]1CCCO1 ZINC000883221989 636596039 /nfs/dbraw/zinc/59/60/39/636596039.db2.gz LGDBGONXHBIGJA-CVEARBPZSA-N 1 1 290.407 3.196 20 30 CGEDMO C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ncc[nH]1 ZINC000848567186 636610672 /nfs/dbraw/zinc/61/06/72/636610672.db2.gz QLSGFTPLHISOGV-GFCCVEGCSA-N 1 1 266.348 3.011 20 30 CGEDMO N#CCCCC[C@@H]([NH3+])c1nc(-c2cccc3[nH]ccc32)no1 ZINC000848620765 636620490 /nfs/dbraw/zinc/62/04/90/636620490.db2.gz GMLHNVSYGMBLGC-CYBMUJFWSA-N 1 1 295.346 3.302 20 30 CGEDMO N#CCCCC[C@H]([NH3+])c1nc([C@H]2CCc3ccccc32)no1 ZINC000848622133 636621203 /nfs/dbraw/zinc/62/12/03/636621203.db2.gz SENQVIRMOSDFBN-GJZGRUSLSA-N 1 1 296.374 3.231 20 30 CGEDMO Cc1cccc(Cc2noc([C@H]([NH3+])CCCCC#N)n2)c1 ZINC000848621687 636621257 /nfs/dbraw/zinc/62/12/57/636621257.db2.gz NSTNHUOUGTWJOQ-CQSZACIVSA-N 1 1 284.363 3.053 20 30 CGEDMO CC1(Cc2noc([C@H]([NH3+])CCCCC#N)n2)CCCC1 ZINC000848632588 636625545 /nfs/dbraw/zinc/62/55/45/636625545.db2.gz UNBUDQSRVUMTJK-GFCCVEGCSA-N 1 1 276.384 3.276 20 30 CGEDMO C#C[C@@H]1CCCN(c2[nH+]ccc3ccc(C)cc32)C1 ZINC000848748612 636648693 /nfs/dbraw/zinc/64/86/93/636648693.db2.gz IZBHZNAUFUWIED-CQSZACIVSA-N 1 1 250.345 3.393 20 30 CGEDMO Cc1[nH+]cc(CNc2ccc(C3CC3)c(C#N)c2)n1C ZINC000883338540 636685099 /nfs/dbraw/zinc/68/50/99/636685099.db2.gz DOGRECQLFDFZMA-UHFFFAOYSA-N 1 1 266.348 3.090 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cn(-c3ccc(C)cc3)nc2C)C1 ZINC000848924705 636697784 /nfs/dbraw/zinc/69/77/84/636697784.db2.gz YJGFFSULJOIBNK-KRWDZBQOSA-N 1 1 293.414 3.334 20 30 CGEDMO CC(C)[N@H+](Cc1ccccc1)C[C@H](O)CC1(C#N)CCC1 ZINC000885948834 637326304 /nfs/dbraw/zinc/32/63/04/637326304.db2.gz GXBHUSFMRKBXHM-QGZVFWFLSA-N 1 1 286.419 3.342 20 30 CGEDMO CC1CCC([N@@H+](C[C@H](O)CC2(C#N)CCC2)C2CC2)CC1 ZINC000885958083 637330880 /nfs/dbraw/zinc/33/08/80/637330880.db2.gz DBNQIHIUOJTRMD-VMBOVVBDSA-N 1 1 290.451 3.474 20 30 CGEDMO CC[C@H]1c2ccccc2CC[N@@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886010849 637358869 /nfs/dbraw/zinc/35/88/69/637358869.db2.gz QOCAONAUAMETKB-AEFFLSMTSA-N 1 1 298.430 3.441 20 30 CGEDMO CC[C@H]1CCCCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886019311 637367772 /nfs/dbraw/zinc/36/77/72/637367772.db2.gz QGLMQKGUUFHPHX-LSDHHAIUSA-N 1 1 264.413 3.086 20 30 CGEDMO CC(C)(C)[C@H]1CCC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886184017 637451065 /nfs/dbraw/zinc/45/10/65/637451065.db2.gz RZHSEODEIZIVJQ-GJZGRUSLSA-N 1 1 278.440 3.189 20 30 CGEDMO C=CC[N@H+](CC[C@@H]1COC(C)(C)O1)Cc1cccs1 ZINC000851712562 637471135 /nfs/dbraw/zinc/47/11/35/637471135.db2.gz QMFQQKCILLTSRJ-CYBMUJFWSA-N 1 1 281.421 3.278 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)CC[C@H]1COC(C)(C)O1 ZINC000851798644 637507098 /nfs/dbraw/zinc/50/70/98/637507098.db2.gz SILRVQJPUKYBIN-HNNXBMFYSA-N 1 1 282.428 3.180 20 30 CGEDMO C#CC[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000886355527 637511236 /nfs/dbraw/zinc/51/12/36/637511236.db2.gz JWACMTHILZWRKL-SJORKVTESA-N 1 1 298.430 3.284 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2cc(Cl)nc(Cl)c2)C1 ZINC000886358302 637512380 /nfs/dbraw/zinc/51/23/80/637512380.db2.gz SNOAGSPFUDXPCG-SNVBAGLBSA-N 1 1 269.175 3.234 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(Cl)nc(Cl)c2)C1 ZINC000886358302 637512382 /nfs/dbraw/zinc/51/23/82/637512382.db2.gz SNOAGSPFUDXPCG-SNVBAGLBSA-N 1 1 269.175 3.234 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](C[C@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000886367144 637515896 /nfs/dbraw/zinc/51/58/96/637515896.db2.gz LUFCFKIBPGPVMY-NXHRZFHOSA-N 1 1 269.388 3.252 20 30 CGEDMO C#CC[C@H]([NH2+]Cc1conc1CC)c1ccccc1 ZINC000851901156 637536667 /nfs/dbraw/zinc/53/66/67/637536667.db2.gz JUVIWZKQUVMNHP-INIZCTEOSA-N 1 1 254.333 3.091 20 30 CGEDMO C#CCOCC[N@H+](CC(C)C)[C@H]1CCCc2cccnc21 ZINC000851948840 637557072 /nfs/dbraw/zinc/55/70/72/637557072.db2.gz JPPDPKLDORYXHB-KRWDZBQOSA-N 1 1 286.419 3.067 20 30 CGEDMO C#C[C@](C)(CC)[NH2+]Cc1nnc(-c2ccccc2)s1 ZINC000852101081 637595707 /nfs/dbraw/zinc/59/57/07/637595707.db2.gz LUVHEESHWHMLIX-OAHLLOKOSA-N 1 1 271.389 3.097 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2nsc3ccccc32)C1 ZINC000852215894 637619615 /nfs/dbraw/zinc/61/96/15/637619615.db2.gz QEYPAWAHTXKMJM-LBPRGKRZSA-N 1 1 256.374 3.142 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](C[C@H]2CCc3ccccc32)C1 ZINC000852319507 637633696 /nfs/dbraw/zinc/63/36/96/637633696.db2.gz NXUCFTHGTATKSL-GDBMZVCRSA-N 1 1 254.377 3.342 20 30 CGEDMO CC(C)=CCC[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852331373 637636167 /nfs/dbraw/zinc/63/61/67/637636167.db2.gz NCKBGOHKJITSLB-KRWDZBQOSA-N 1 1 269.392 3.295 20 30 CGEDMO CC(C)=CCC[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852331373 637636168 /nfs/dbraw/zinc/63/61/68/637636168.db2.gz NCKBGOHKJITSLB-KRWDZBQOSA-N 1 1 269.392 3.295 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000852408806 637646363 /nfs/dbraw/zinc/64/63/63/637646363.db2.gz BAFRNLAAROSXMW-AWEZNQCLSA-N 1 1 294.439 3.141 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886681067 637647818 /nfs/dbraw/zinc/64/78/18/637647818.db2.gz RKDKTPNJZOEPCQ-PBHICJAKSA-N 1 1 292.386 3.289 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccccc2CC(=O)OC)C1 ZINC000852410956 637648932 /nfs/dbraw/zinc/64/89/32/637648932.db2.gz QQUOPFLHQYMTDI-OAHLLOKOSA-N 1 1 287.403 3.190 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)c1ccccc1F ZINC000852686516 637695255 /nfs/dbraw/zinc/69/52/55/637695255.db2.gz WKSFERIYKGNZRN-DVOMOZLQSA-N 1 1 261.340 3.042 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)c1ccc(F)cc1C ZINC000852685976 637696021 /nfs/dbraw/zinc/69/60/21/637696021.db2.gz NKBKFKFYJIADIR-UXLLHSPISA-N 1 1 275.367 3.351 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886821410 637706462 /nfs/dbraw/zinc/70/64/62/637706462.db2.gz BVLXMAWTVIEVHE-XJKSGUPXSA-N 1 1 290.794 3.213 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1csc2ccccc12 ZINC000852751635 637706831 /nfs/dbraw/zinc/70/68/31/637706831.db2.gz JFAUPJGLPXQFEU-UHFFFAOYSA-N 1 1 273.401 3.373 20 30 CGEDMO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc2c(c1)CCCO2 ZINC000852781630 637711260 /nfs/dbraw/zinc/71/12/60/637711260.db2.gz UENCOTCSWKAAAB-NSHDSACASA-N 1 1 299.399 3.191 20 30 CGEDMO C=CC1CC[NH+](Cn2c(=O)oc3cc(Cl)ccc32)CC1 ZINC000111166670 637782467 /nfs/dbraw/zinc/78/24/67/637782467.db2.gz MJLDHILDKMKHKX-UHFFFAOYSA-N 1 1 292.766 3.103 20 30 CGEDMO C#Cc1cccnc1N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000853228188 637787647 /nfs/dbraw/zinc/78/76/47/637787647.db2.gz GNJYRKOMYTVUKE-QAPCUYQASA-N 1 1 291.398 3.310 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CN2C(=O)[C@@H](C)[C@H]2c2ccccc2)C1 ZINC000853537420 637864129 /nfs/dbraw/zinc/86/41/29/637864129.db2.gz XRCSSZVOSSALEM-JZXOWHBKSA-N 1 1 298.430 3.452 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1C(=O)[C@H](C)[C@H]1c1ccccc1 ZINC000853598411 637871987 /nfs/dbraw/zinc/87/19/87/637871987.db2.gz QQYCVHIMDZEGCG-BGTYHANMSA-N 1 1 296.414 3.347 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@]1(C)CCCO ZINC000930160761 638169534 /nfs/dbraw/zinc/16/95/34/638169534.db2.gz YFGBCGMFJFROSN-SFHVURJKSA-N 1 1 286.419 3.302 20 30 CGEDMO C=CC[C@@H]([NH2+][C@@H](C)c1cc(OC)no1)c1ccncc1 ZINC000925074463 638447706 /nfs/dbraw/zinc/44/77/06/638447706.db2.gz HDLVVHYGDYQICS-WCQYABFASA-N 1 1 273.336 3.046 20 30 CGEDMO C=CC[C@H](Cc1ccccc1)N[C@H]1CC[NH2+]C12CCC2 ZINC000925692127 638571054 /nfs/dbraw/zinc/57/10/54/638571054.db2.gz PTIOVZUOVMMOTP-SJORKVTESA-N 1 1 270.420 3.048 20 30 CGEDMO Cc1ccc(O[C@@H]2CC[N@@H+](CC(C)(C)CCC#N)C2)nc1 ZINC000858013275 638618891 /nfs/dbraw/zinc/61/88/91/638618891.db2.gz QMEPZHZCRVSVOB-OAHLLOKOSA-N 1 1 287.407 3.173 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858047191 638621992 /nfs/dbraw/zinc/62/19/92/638621992.db2.gz JLPOMGVTSHEESY-MRXNPFEDSA-N 1 1 272.392 3.378 20 30 CGEDMO CCCCCCCCCNC(=O)Cn1c[nH+]cc1C ZINC000858316277 638679293 /nfs/dbraw/zinc/67/92/93/638679293.db2.gz QHWUPPMCEUNIIZ-UHFFFAOYSA-N 1 1 265.401 3.058 20 30 CGEDMO C=CCn1ncc2ccc(N[C@@H]3C[N@@H+](C4CC4)C[C@@H]3C)cc21 ZINC000927067653 638837635 /nfs/dbraw/zinc/83/76/35/638837635.db2.gz QJRCEYKEHGAEJS-SUMWQHHRSA-N 1 1 296.418 3.117 20 30 CGEDMO C[N@H+](Cc1nccn1C(F)F)CC1CCC(C#N)CC1 ZINC000929259087 638912816 /nfs/dbraw/zinc/91/28/16/638912816.db2.gz PVMVFKXZAWBNQD-UHFFFAOYSA-N 1 1 282.338 3.040 20 30 CGEDMO CC[C@@H]1CO[C@H](C)C[N@H+]1CCCCC1(C#N)CCC1 ZINC000929270310 638913745 /nfs/dbraw/zinc/91/37/45/638913745.db2.gz NLMXDVWUFBLDMD-HUUCEWRRSA-N 1 1 264.413 3.350 20 30 CGEDMO CC[N@H+](Cc1c(C)cc(C#N)cc1C)C[C@H]1CCOC1 ZINC000929286919 638915471 /nfs/dbraw/zinc/91/54/71/638915471.db2.gz KEZDWOHYDJWPAQ-OAHLLOKOSA-N 1 1 272.392 3.034 20 30 CGEDMO CCc1ncc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)o1 ZINC000929368262 638921975 /nfs/dbraw/zinc/92/19/75/638921975.db2.gz VTZRAVJGHHAQEN-UHFFFAOYSA-N 1 1 281.359 3.273 20 30 CGEDMO CCc1ncc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)o1 ZINC000929368262 638921978 /nfs/dbraw/zinc/92/19/78/638921978.db2.gz VTZRAVJGHHAQEN-UHFFFAOYSA-N 1 1 281.359 3.273 20 30 CGEDMO CCCC[N@@H+](Cc1ccccc1Cl)C[C@H](O)CC#N ZINC000929481331 638927346 /nfs/dbraw/zinc/92/73/46/638927346.db2.gz ZVORWXSYQQIEHE-CQSZACIVSA-N 1 1 280.799 3.217 20 30 CGEDMO CCCC[N@H+](Cc1ccccc1Cl)C[C@H](O)CC#N ZINC000929481331 638927348 /nfs/dbraw/zinc/92/73/48/638927348.db2.gz ZVORWXSYQQIEHE-CQSZACIVSA-N 1 1 280.799 3.217 20 30 CGEDMO CC(C)[N@H+]1CCCN(CCCCC2(C#N)CCC2)CC1 ZINC000929492038 638928403 /nfs/dbraw/zinc/92/84/03/638928403.db2.gz CMVNKPSZTAOSIT-UHFFFAOYSA-N 1 1 277.456 3.267 20 30 CGEDMO CC(C)N1CCC[N@H+](CCCCC2(C#N)CCC2)CC1 ZINC000929492038 638928405 /nfs/dbraw/zinc/92/84/05/638928405.db2.gz CMVNKPSZTAOSIT-UHFFFAOYSA-N 1 1 277.456 3.267 20 30 CGEDMO CC(C)N1CCC[N@@H+](CCCCC2(C#N)CCC2)CC1 ZINC000929492038 638928407 /nfs/dbraw/zinc/92/84/07/638928407.db2.gz CMVNKPSZTAOSIT-UHFFFAOYSA-N 1 1 277.456 3.267 20 30 CGEDMO CCOC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000929642825 638937172 /nfs/dbraw/zinc/93/71/72/638937172.db2.gz AOIHUAKNVRHLCH-CYBMUJFWSA-N 1 1 292.810 3.460 20 30 CGEDMO CC(C)OCCC[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000929697871 638942360 /nfs/dbraw/zinc/94/23/60/638942360.db2.gz XFHQLBVRJHFENQ-UHFFFAOYSA-N 1 1 280.799 3.459 20 30 CGEDMO CN1CCC[C@H](C[N@H+](C)CCCCC2(C#N)CCC2)C1 ZINC000929699322 638942453 /nfs/dbraw/zinc/94/24/53/638942453.db2.gz LCVYFHMCMSTXKM-MRXNPFEDSA-N 1 1 277.456 3.124 20 30 CGEDMO CN1CCC[C@H](C[N@@H+](C)CCCCC2(C#N)CCC2)C1 ZINC000929699322 638942456 /nfs/dbraw/zinc/94/24/56/638942456.db2.gz LCVYFHMCMSTXKM-MRXNPFEDSA-N 1 1 277.456 3.124 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](C)CCC1CCOCC1 ZINC000929823497 638954756 /nfs/dbraw/zinc/95/47/56/638954756.db2.gz AGMDPXLQBLDUSA-UHFFFAOYSA-N 1 1 286.419 3.424 20 30 CGEDMO CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)cc(C#N)cc2C)[C@@H](C)C1 ZINC000930000817 638967429 /nfs/dbraw/zinc/96/74/29/638967429.db2.gz RZKYQYIWDFNZJK-LPHOPBHVSA-N 1 1 299.462 3.337 20 30 CGEDMO CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)cc(C#N)cc2C)[C@@H](C)C1 ZINC000930000817 638967431 /nfs/dbraw/zinc/96/74/31/638967431.db2.gz RZKYQYIWDFNZJK-LPHOPBHVSA-N 1 1 299.462 3.337 20 30 CGEDMO CCN1CC[C@H]([N@H+](C)Cc2c(C)cc(C#N)cc2C)[C@@H](C)C1 ZINC000930000817 638967432 /nfs/dbraw/zinc/96/74/32/638967432.db2.gz RZKYQYIWDFNZJK-LPHOPBHVSA-N 1 1 299.462 3.337 20 30 CGEDMO CCN1CC[C@H]([N@@H+](C)Cc2c(C)cc(C#N)cc2C)[C@@H](C)C1 ZINC000930000817 638967434 /nfs/dbraw/zinc/96/74/34/638967434.db2.gz RZKYQYIWDFNZJK-LPHOPBHVSA-N 1 1 299.462 3.337 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000930072734 638972493 /nfs/dbraw/zinc/97/24/93/638972493.db2.gz VEWBRKJFTOCWSG-IRXDYDNUSA-N 1 1 284.403 3.034 20 30 CGEDMO CC1(C)C[N@H+](Cc2cncc(C#N)c2)Cc2ccccc21 ZINC000930104112 638974486 /nfs/dbraw/zinc/97/44/86/638974486.db2.gz ONYSLPJWKFQSIC-UHFFFAOYSA-N 1 1 277.371 3.247 20 30 CGEDMO CC1(C)C[N@@H+](Cc2cncc(C#N)c2)Cc2ccccc21 ZINC000930104112 638974488 /nfs/dbraw/zinc/97/44/88/638974488.db2.gz ONYSLPJWKFQSIC-UHFFFAOYSA-N 1 1 277.371 3.247 20 30 CGEDMO CC(C)(C)C1=CC[N@H+](Cc2cncc(C#N)c2)CC1 ZINC000930102097 638974624 /nfs/dbraw/zinc/97/46/24/638974624.db2.gz ASJFFIMTDIUXJR-UHFFFAOYSA-N 1 1 255.365 3.131 20 30 CGEDMO CC(C)(C)C1=CC[N@@H+](Cc2cncc(C#N)c2)CC1 ZINC000930102097 638974626 /nfs/dbraw/zinc/97/46/26/638974626.db2.gz ASJFFIMTDIUXJR-UHFFFAOYSA-N 1 1 255.365 3.131 20 30 CGEDMO CC[N@@H+](CCCCC1(C#N)CCC1)C[C@H](C)OC ZINC000930539985 639021650 /nfs/dbraw/zinc/02/16/50/639021650.db2.gz QDXRDNDXZZUBLW-AWEZNQCLSA-N 1 1 252.402 3.207 20 30 CGEDMO C#CC[C@H](CCOC)Nc1[nH+]ccc2ccccc21 ZINC000858858657 639031709 /nfs/dbraw/zinc/03/17/09/639031709.db2.gz NOWIURJVXDGPRD-CQSZACIVSA-N 1 1 254.333 3.075 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2coc(C(C)(C)C)n2)C1 ZINC000930817872 639071279 /nfs/dbraw/zinc/07/12/79/639071279.db2.gz ZLONSTNIKUIIDE-ZDUSSCGKSA-N 1 1 260.381 3.207 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2coc(C(C)(C)C)n2)C1 ZINC000930817872 639071282 /nfs/dbraw/zinc/07/12/82/639071282.db2.gz ZLONSTNIKUIIDE-ZDUSSCGKSA-N 1 1 260.381 3.207 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)Cc1cc(Cl)n(C)n1 ZINC000859092868 639077342 /nfs/dbraw/zinc/07/73/42/639077342.db2.gz GSKBVQCFOBXPAU-UHFFFAOYSA-N 1 1 289.810 3.304 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1cc(Cl)n(C)n1 ZINC000859092868 639077346 /nfs/dbraw/zinc/07/73/46/639077346.db2.gz GSKBVQCFOBXPAU-UHFFFAOYSA-N 1 1 289.810 3.304 20 30 CGEDMO N#CC1CCC(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)CC1 ZINC000930864373 639078123 /nfs/dbraw/zinc/07/81/23/639078123.db2.gz WAYXOXINYNQGJY-JXQTWKCFSA-N 1 1 268.351 3.438 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@H]1c1ncccn1 ZINC000931054446 639103146 /nfs/dbraw/zinc/10/31/46/639103146.db2.gz GCIXDIWIPNAOPF-KRWDZBQOSA-N 1 1 292.386 3.302 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H]1c1ncccn1 ZINC000931054446 639103154 /nfs/dbraw/zinc/10/31/54/639103154.db2.gz GCIXDIWIPNAOPF-KRWDZBQOSA-N 1 1 292.386 3.302 20 30 CGEDMO N#CC1CCC(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)CC1 ZINC000931077466 639108514 /nfs/dbraw/zinc/10/85/14/639108514.db2.gz XWZPAVAHYAKDGJ-OWCVQMPJSA-N 1 1 288.435 3.209 20 30 CGEDMO C=CCCc1ccccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000931288533 639130793 /nfs/dbraw/zinc/13/07/93/639130793.db2.gz MYGZCCCUHBRTKI-HIFRSBDPSA-N 1 1 287.407 3.019 20 30 CGEDMO N#CCc1cccc2c1CC[N@@H+](CC1CCC(C#N)CC1)C2 ZINC000931332969 639136689 /nfs/dbraw/zinc/13/66/89/639136689.db2.gz PETNCNWQECSEHS-UHFFFAOYSA-N 1 1 293.414 3.441 20 30 CGEDMO C=CC[C@H]1CC[N@H+](C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000859445419 639143181 /nfs/dbraw/zinc/14/31/81/639143181.db2.gz INMOLSSMZGKBLJ-SWLSCSKDSA-N 1 1 265.784 3.271 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1 ZINC000859543178 639159580 /nfs/dbraw/zinc/15/95/80/639159580.db2.gz VIKYQSRIKMBLFU-CVEARBPZSA-N 1 1 288.416 3.059 20 30 CGEDMO C=C(Br)C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000859561527 639163044 /nfs/dbraw/zinc/16/30/44/639163044.db2.gz GAJPTSIITILRMH-CYBMUJFWSA-N 1 1 281.197 3.421 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)c1 ZINC000931911688 639227244 /nfs/dbraw/zinc/22/72/44/639227244.db2.gz QAKGZPFGKMIUSM-ZDUSSCGKSA-N 1 1 298.283 3.425 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931913925 639229026 /nfs/dbraw/zinc/22/90/26/639229026.db2.gz QLMPVLITSRVTLA-UWVGGRQHSA-N 1 1 264.266 3.045 20 30 CGEDMO N#Cc1cc(C[N@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)ccc1F ZINC000931933446 639237036 /nfs/dbraw/zinc/23/70/36/639237036.db2.gz PDDULRPLRNEHCD-PKOBYXMFSA-N 1 1 292.357 3.471 20 30 CGEDMO Cn1ccc([C@H]2CCC[N@@H+](CCCCC(C)(C)C#N)C2)n1 ZINC000932136549 639271315 /nfs/dbraw/zinc/27/13/15/639271315.db2.gz NRCIACKURQGIQR-HNNXBMFYSA-N 1 1 288.439 3.320 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2ccn(C)n2)C1 ZINC000932135735 639272512 /nfs/dbraw/zinc/27/25/12/639272512.db2.gz NETCYPNTAKMULT-PBHICJAKSA-N 1 1 294.402 3.232 20 30 CGEDMO C[C@@H](CC[N@H+]1CCC[C@@H](C#N)C1)OCc1ccccc1 ZINC000932147847 639275623 /nfs/dbraw/zinc/27/56/23/639275623.db2.gz HXGWXVRYMOHKAJ-RDJZCZTQSA-N 1 1 272.392 3.217 20 30 CGEDMO CC(C)(C)OC[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000932163483 639280462 /nfs/dbraw/zinc/28/04/62/639280462.db2.gz NSFHDWZYAFVVQA-MRXNPFEDSA-N 1 1 272.392 3.338 20 30 CGEDMO Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@@H](C#N)CCC#N ZINC000932555052 639350715 /nfs/dbraw/zinc/35/07/15/639350715.db2.gz CAADQBUGKHDCBP-CHWSQXEVSA-N 1 1 259.328 3.228 20 30 CGEDMO Cc1csc(C[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)n1 ZINC000933125276 639420905 /nfs/dbraw/zinc/42/09/05/639420905.db2.gz GAGYCERTMMLLPO-MRXNPFEDSA-N 1 1 297.427 3.388 20 30 CGEDMO Cc1csc(C[C@H]2CC[N@H+]([C@@H](C)CCC#N)C2)n1 ZINC000933129218 639422437 /nfs/dbraw/zinc/42/24/37/639422437.db2.gz JZCNCMTUDHEELX-QWHCGFSZSA-N 1 1 263.410 3.008 20 30 CGEDMO C[C@@]1([NH2+]Cc2cc(C#N)ccc2F)CCOc2ccccc21 ZINC000933364247 639440541 /nfs/dbraw/zinc/44/05/41/639440541.db2.gz HLLTXUFJSYHCDY-GOSISDBHSA-N 1 1 296.345 3.485 20 30 CGEDMO C[N@@H+](CCCCC1(C#N)CCC1)Cc1cccc(=O)[nH]1 ZINC000933403484 639446526 /nfs/dbraw/zinc/44/65/26/639446526.db2.gz BOCJMDGBRJNGMW-UHFFFAOYSA-N 1 1 273.380 3.083 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCCSC[C@H]2C2CC2)c1 ZINC000933917505 639508436 /nfs/dbraw/zinc/50/84/36/639508436.db2.gz LVVAFVULCOIZEG-INIZCTEOSA-N 1 1 272.417 3.276 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1CC(=O)Nc1ccc(Cl)cc1C ZINC000934466952 639613298 /nfs/dbraw/zinc/61/32/98/639613298.db2.gz VPSFDERUOBKHFA-ZDUSSCGKSA-N 1 1 278.783 3.237 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1C ZINC000934466952 639613305 /nfs/dbraw/zinc/61/33/05/639613305.db2.gz VPSFDERUOBKHFA-ZDUSSCGKSA-N 1 1 278.783 3.237 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1nc(-c2cccc(C)c2)no1 ZINC000934469848 639615368 /nfs/dbraw/zinc/61/53/68/639615368.db2.gz IHBWATYENFAUTK-CQSZACIVSA-N 1 1 269.348 3.195 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1nc(-c2cccc(C)c2)no1 ZINC000934469848 639615376 /nfs/dbraw/zinc/61/53/76/639615376.db2.gz IHBWATYENFAUTK-CQSZACIVSA-N 1 1 269.348 3.195 20 30 CGEDMO C=CCCC[N@H+](CC)CCCC1(C#N)CCOCC1 ZINC000934645630 639648722 /nfs/dbraw/zinc/64/87/22/639648722.db2.gz VRVNWSVDEMRKHA-UHFFFAOYSA-N 1 1 264.413 3.375 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000935002126 639730449 /nfs/dbraw/zinc/73/04/49/639730449.db2.gz DRLZQODEERQUEF-HZPDHXFCSA-N 1 1 280.456 3.073 20 30 CGEDMO C#CC[N@H+](Cc1cc(=O)oc2cc(C)ccc12)C1CCCC1 ZINC000155782299 639949893 /nfs/dbraw/zinc/94/98/93/639949893.db2.gz IMGQXPBZZPANKS-UHFFFAOYSA-N 1 1 295.382 3.479 20 30 CGEDMO CCCCC(N)=[NH+]OCc1csc([C@H](C)OCC)n1 ZINC000076696519 640209804 /nfs/dbraw/zinc/20/98/04/640209804.db2.gz VBCKYWDOHYPOHK-JTQLQIEISA-N 1 1 285.413 3.220 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+]1CCSCC[C@@H]1C ZINC000191817137 640332625 /nfs/dbraw/zinc/33/26/25/640332625.db2.gz JPRUFFKVTPLTHM-AWEZNQCLSA-N 1 1 275.417 3.026 20 30 CGEDMO C#CC[N@H+](C)[C@H](C)c1cccc(Br)c1 ZINC000194972312 640561369 /nfs/dbraw/zinc/56/13/69/640561369.db2.gz ZXQOXOLVBUDDNA-SNVBAGLBSA-N 1 1 252.155 3.075 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000247565684 640728324 /nfs/dbraw/zinc/72/83/24/640728324.db2.gz RZSKVBPMNBZKEO-LMSBXDPUSA-N 1 1 289.419 3.164 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCSC(C)(C)C2)cc1 ZINC000093504386 640773416 /nfs/dbraw/zinc/77/34/16/640773416.db2.gz PNXCIZPBSLOKTC-ZDUSSCGKSA-N 1 1 290.432 3.305 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C23CCC(CC2)C3)C1 ZINC001007648925 640944312 /nfs/dbraw/zinc/94/43/12/640944312.db2.gz VMTCBKPYHVSXKR-PQUAAJSLSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](NC(=O)C2CCCCCCC2)C1 ZINC001007894981 640945884 /nfs/dbraw/zinc/94/58/84/640945884.db2.gz JNVZANZVIBWXJY-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2occc2CC)C1 ZINC001008433380 640951005 /nfs/dbraw/zinc/95/10/05/640951005.db2.gz NMSMBVALFFNAPL-HNNXBMFYSA-N 1 1 290.407 3.002 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)c2ccsc2)C1 ZINC001008502365 640951602 /nfs/dbraw/zinc/95/16/02/640951602.db2.gz OZYFJSFAZWRZQZ-HIFRSBDPSA-N 1 1 292.448 3.008 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)c2ccsc2)C1 ZINC001008502368 640951841 /nfs/dbraw/zinc/95/18/41/640951841.db2.gz OZYFJSFAZWRZQZ-UKRRQHHQSA-N 1 1 292.448 3.008 20 30 CGEDMO C=Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CC(=C)C)C2)cc1 ZINC001008620163 640953221 /nfs/dbraw/zinc/95/32/21/640953221.db2.gz GURLYSCXHAEHJU-KRWDZBQOSA-N 1 1 284.403 3.100 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001008823262 640954977 /nfs/dbraw/zinc/95/49/77/640954977.db2.gz GKIIDSYAZSTGCI-SFHVURJKSA-N 1 1 296.414 3.026 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)C2CCC(C)(C)CC2)C1 ZINC001009656022 640962104 /nfs/dbraw/zinc/96/21/04/640962104.db2.gz FCFUPEQAGNHFLE-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO NC(=[NH+]OCc1cccnc1Cl)C1CCCCC1 ZINC000112969265 640972425 /nfs/dbraw/zinc/97/24/25/640972425.db2.gz ZTMDZMDZCAWYCU-UHFFFAOYSA-N 1 1 267.760 3.104 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001014922222 640977019 /nfs/dbraw/zinc/97/70/19/640977019.db2.gz ZPXXEBJFBVDAOU-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)c(C)c2)C1 ZINC001015652069 640984202 /nfs/dbraw/zinc/98/42/02/640984202.db2.gz UPRGJHJIYONQSX-AWEZNQCLSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC001015655030 640984636 /nfs/dbraw/zinc/98/46/36/640984636.db2.gz KEBNNADDZVPUDO-KRWDZBQOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)CC2CCCCCC2)C1 ZINC001015760147 640985051 /nfs/dbraw/zinc/98/50/51/640985051.db2.gz LGRNQPSWHBQGBC-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccsc2Cl)C1 ZINC001015793470 640987165 /nfs/dbraw/zinc/98/71/65/640987165.db2.gz CXXUQTDRBAKZCB-NSHDSACASA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001016072814 640991204 /nfs/dbraw/zinc/99/12/04/640991204.db2.gz RWXABUMGIFSRLC-HNNXBMFYSA-N 1 1 292.810 3.110 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2C2CCC2)C1 ZINC001016133983 640992960 /nfs/dbraw/zinc/99/29/60/640992960.db2.gz UMNUCSRHFLYRQD-MRXNPFEDSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccoc2C(C)C)C1 ZINC001016377669 640997764 /nfs/dbraw/zinc/99/77/64/640997764.db2.gz HUIVNJRPIVQFJW-CQSZACIVSA-N 1 1 290.407 3.173 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(CC)CC ZINC001017366697 641011838 /nfs/dbraw/zinc/01/18/38/641011838.db2.gz GWTZNEFZLUQLEK-IYBDPMFKSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(C)C ZINC001017583214 641014507 /nfs/dbraw/zinc/01/45/07/641014507.db2.gz JIXHLAXQBPVGRS-IYBDPMFKSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@]1(C)CC ZINC001018130620 641019421 /nfs/dbraw/zinc/01/94/21/641019421.db2.gz RYOBIGWBTGNFDZ-KYHPRHEASA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C(C)C)c1 ZINC001018141979 641021167 /nfs/dbraw/zinc/02/11/67/641021167.db2.gz IDFGZVDYBXKFPG-HDICACEKSA-N 1 1 298.430 3.285 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C(C)C)c1 ZINC001018141979 641021170 /nfs/dbraw/zinc/02/11/70/641021170.db2.gz IDFGZVDYBXKFPG-HDICACEKSA-N 1 1 298.430 3.285 20 30 CGEDMO C=CC[N@H+](Cc1cc(C)c(OC)nc1OC)C(C)(C)C ZINC001250341414 805585162 /nfs/dbraw/zinc/58/51/62/805585162.db2.gz NSTRFUNGTAXLTM-UHFFFAOYSA-N 1 1 278.396 3.194 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](CCC)C(C)C ZINC001155563453 805594405 /nfs/dbraw/zinc/59/44/05/805594405.db2.gz GAPUFBAHRQLBAQ-HUUCEWRRSA-N 1 1 268.445 3.071 20 30 CGEDMO Cc1nc(NC(C)(C)c2ccc(C#N)cc2)cc(N(C)C)[nH+]1 ZINC001156430289 805691718 /nfs/dbraw/zinc/69/17/18/805691718.db2.gz VAIWFZVXHIKMLD-UHFFFAOYSA-N 1 1 295.390 3.070 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)Cc1ccc(C)s1 ZINC001157126590 805777851 /nfs/dbraw/zinc/77/78/51/805777851.db2.gz MXQIMJRMPIQFFH-CYBMUJFWSA-N 1 1 294.464 3.002 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)C1(CC=C)CCCC1 ZINC001157364250 805800255 /nfs/dbraw/zinc/80/02/55/805800255.db2.gz LGNHYMNEHMBNFP-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@H]1C=CCC1 ZINC001157498941 805824791 /nfs/dbraw/zinc/82/47/91/805824791.db2.gz RFCOYEYNXCZIRB-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)SC ZINC001157577841 805837523 /nfs/dbraw/zinc/83/75/23/805837523.db2.gz FPNXRMFYGDHVJL-LSDHHAIUSA-N 1 1 298.496 3.017 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@@H]1C[N@H+](C)CC[C@@H](C)F ZINC001157705833 805854961 /nfs/dbraw/zinc/85/49/61/805854961.db2.gz LLQGXSFRWOYYIG-HUUCEWRRSA-N 1 1 284.419 3.014 20 30 CGEDMO C#CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)CCCCC ZINC001157907800 805901273 /nfs/dbraw/zinc/90/12/73/805901273.db2.gz GITXIRKDXGBKNW-QGZVFWFLSA-N 1 1 292.467 3.293 20 30 CGEDMO Cc1[nH+]c(NCCCCc2ccccn2)ccc1CC#N ZINC001157975327 805909812 /nfs/dbraw/zinc/90/98/12/805909812.db2.gz KYVSPUJXEYPEEJ-UHFFFAOYSA-N 1 1 280.375 3.286 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[C@@H]1C ZINC001158322251 805937781 /nfs/dbraw/zinc/93/77/81/805937781.db2.gz WAFWFHNUUAOUMW-HZMVEIRTSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCF ZINC001158329225 805938446 /nfs/dbraw/zinc/93/84/46/805938446.db2.gz KQBLALPITBOVAT-JKSUJKDBSA-N 1 1 298.446 3.404 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCF ZINC001158369703 805946725 /nfs/dbraw/zinc/94/67/25/805946725.db2.gz JRKWFAQNUOMIGV-HZPDHXFCSA-N 1 1 298.446 3.261 20 30 CGEDMO C=CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)CCCC ZINC001158427246 805953965 /nfs/dbraw/zinc/95/39/65/805953965.db2.gz VSNSQOZNNVSCPW-MRXNPFEDSA-N 1 1 280.456 3.456 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+](C)CC1CCOCC1 ZINC001252125313 806012335 /nfs/dbraw/zinc/01/23/35/806012335.db2.gz XJBZKHIPIFJIIX-QGZVFWFLSA-N 1 1 285.472 3.456 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1CC(=O)C2 ZINC001252125373 806012979 /nfs/dbraw/zinc/01/29/79/806012979.db2.gz CJCLAZQZGPRCNG-XHSDSOJGSA-N 1 1 281.440 3.294 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+](C)Cc1cncnc1 ZINC001252133766 806020329 /nfs/dbraw/zinc/02/03/29/806020329.db2.gz SEZZXOYTEFOIIT-INIZCTEOSA-N 1 1 279.428 3.020 20 30 CGEDMO C=C[C@@](C)(O)C[N@@H+](C)Cc1cccc2ccccc21 ZINC001252552463 806062132 /nfs/dbraw/zinc/06/21/32/806062132.db2.gz WPBKNXMQYYDCBC-QGZVFWFLSA-N 1 1 255.361 3.209 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](CC)Cc1ccc(C)c(C)c1 ZINC001252602360 806080413 /nfs/dbraw/zinc/08/04/13/806080413.db2.gz RBIJJQITIYGDCG-QGZVFWFLSA-N 1 1 261.409 3.452 20 30 CGEDMO Cc1c[nH+]c(NCC#Cc2ccccc2)nc1NCC1CC1 ZINC001159371518 806088488 /nfs/dbraw/zinc/08/84/88/806088488.db2.gz XQZVZDUWYLZMCK-UHFFFAOYSA-N 1 1 292.386 3.071 20 30 CGEDMO CCCCCCCC[N@@H+](C)C[C@@H](O)COCc1ccco1 ZINC001252638464 806095986 /nfs/dbraw/zinc/09/59/86/806095986.db2.gz SUAHKNZPPQEARB-MRXNPFEDSA-N 1 1 297.439 3.449 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H](C)CCC)CC1 ZINC001159607833 806130887 /nfs/dbraw/zinc/13/08/87/806130887.db2.gz ZMNFLJSSUZCIKF-HNNXBMFYSA-N 1 1 278.440 3.137 20 30 CGEDMO CCCC[C@@H](CC)COC[C@@H](O)C[N@H+](CCC)CCC#N ZINC001253007574 806152852 /nfs/dbraw/zinc/15/28/52/806152852.db2.gz REIZHNAHVVQQEO-SJORKVTESA-N 1 1 298.471 3.206 20 30 CGEDMO CCCC[C@@H](CC)COC[C@@H](O)C[N@@H+](CCC)CCC#N ZINC001253007574 806152856 /nfs/dbraw/zinc/15/28/56/806152856.db2.gz REIZHNAHVVQQEO-SJORKVTESA-N 1 1 298.471 3.206 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+](C)Cc1cccnc1 ZINC001253226953 806184621 /nfs/dbraw/zinc/18/46/21/806184621.db2.gz CVHPLDIPLOAMFI-KRWDZBQOSA-N 1 1 276.424 3.401 20 30 CGEDMO C=CCCCCCC[C@H](O)CNc1[nH+]c(C)ccc1O ZINC001253232973 806187255 /nfs/dbraw/zinc/18/72/55/806187255.db2.gz XVOWPCFTVMWUEF-AWEZNQCLSA-N 1 1 278.396 3.395 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001253241344 806191874 /nfs/dbraw/zinc/19/18/74/806191874.db2.gz UULVNTYIXFQIFS-FPCVCCKLSA-N 1 1 269.404 3.021 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CCNC(=O)CCC(=C)C)CC1 ZINC001160264410 806246765 /nfs/dbraw/zinc/24/67/65/806246765.db2.gz NCUNENHVACPPON-UHFFFAOYSA-N 1 1 290.451 3.447 20 30 CGEDMO C=C[C@@H](O)C[N@H+]1CC[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001253578402 806264039 /nfs/dbraw/zinc/26/40/39/806264039.db2.gz ANEFNECCWPTYOK-NWDGAFQWSA-N 1 1 286.202 3.330 20 30 CGEDMO C=C[C@H](C)[C@@H](C)C(=O)NCCC1=CC[N@@H+](CCCC)CC1 ZINC001160942404 806326746 /nfs/dbraw/zinc/32/67/46/806326746.db2.gz YNOUPLBCVJAVLI-JKSUJKDBSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C[C@@H](C)[C@H](C)C(=O)NCCC1=CC[N@@H+](CC(=C)C)CC1 ZINC001160940283 806326952 /nfs/dbraw/zinc/32/69/52/806326952.db2.gz AUBSJYSKMNEBTC-CVEARBPZSA-N 1 1 290.451 3.159 20 30 CGEDMO C=CCCCC(=O)NCCC1=CC[N@@H+](CCC(=C)C)CC1 ZINC001161056826 806344097 /nfs/dbraw/zinc/34/40/97/806344097.db2.gz QXYAEFJFVJEGPK-UHFFFAOYSA-N 1 1 290.451 3.447 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)C(C)(C)CC)CC1 ZINC001161062344 806344425 /nfs/dbraw/zinc/34/44/25/806344425.db2.gz MDTHDLCNYCYGQL-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@](C)(C=C)CC)CC1 ZINC001161121972 806349915 /nfs/dbraw/zinc/34/99/15/806349915.db2.gz ZZWXYXMPSIHRPU-SFHVURJKSA-N 1 1 290.451 3.303 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)C2(CCC)CC2)CC1 ZINC001161134041 806352624 /nfs/dbraw/zinc/35/26/24/806352624.db2.gz ZHILYPRFUKCDPW-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CCC(C)(C)C(=O)NCCC1=CC[N@@H+](CCC)CC1 ZINC001161343377 806368058 /nfs/dbraw/zinc/36/80/58/806368058.db2.gz ASBJYTBRYRZDPP-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[C@@H](C)C2)CC1 ZINC001161390837 806372871 /nfs/dbraw/zinc/37/28/71/806372871.db2.gz LEEPXGMQEWHRIC-WBVHZDCISA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@]2(C)CC)CC1 ZINC001161616573 806399739 /nfs/dbraw/zinc/39/97/39/806399739.db2.gz IUPVRKJADWFDTD-WMZOPIPTSA-N 1 1 290.451 3.137 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([NH2+]Cc2c(F)ccc(F)c2Cl)C1 ZINC001254637467 806466885 /nfs/dbraw/zinc/46/68/85/806466885.db2.gz QWUCMCCZHAJXAH-RKDXNWHRSA-N 1 1 270.710 3.400 20 30 CGEDMO Cc1ccccc1O[C@@H]1CC[N@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC001254668727 806479681 /nfs/dbraw/zinc/47/96/81/806479681.db2.gz KNKFPCJDPISLAY-HRCADAONSA-N 1 1 270.376 3.140 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](Sc3ccncc3)C2)C1 ZINC001254669911 806479743 /nfs/dbraw/zinc/47/97/43/806479743.db2.gz WUVPRNHTBBGAHK-IJEWVQPXSA-N 1 1 287.432 3.330 20 30 CGEDMO N#C[C@H]1CC[C@@H](n2ccc(C[NH2+]Cc3ccccc3)n2)C1 ZINC001254677261 806485422 /nfs/dbraw/zinc/48/54/22/806485422.db2.gz RPAUQMZSTUYUHR-DOTOQJQBSA-N 1 1 280.375 3.038 20 30 CGEDMO N#CCC[N@H+](Cc1ccccc1)C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254942684 806516202 /nfs/dbraw/zinc/51/62/02/806516202.db2.gz JLBFCHAXGYOCRD-HZPDHXFCSA-N 1 1 282.387 3.160 20 30 CGEDMO N#CCC[N@@H+](Cc1ccccc1)C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254942684 806516207 /nfs/dbraw/zinc/51/62/07/806516207.db2.gz JLBFCHAXGYOCRD-HZPDHXFCSA-N 1 1 282.387 3.160 20 30 CGEDMO Cc1ccc(CC#N)c(NC(C)(C)Cc2cccnc2)[nH+]1 ZINC001162241535 806538950 /nfs/dbraw/zinc/53/89/50/806538950.db2.gz MMXNJGSPJFWLJA-UHFFFAOYSA-N 1 1 280.375 3.284 20 30 CGEDMO CC(C)C[C@@](C)(C#N)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001255105930 806545407 /nfs/dbraw/zinc/54/54/07/806545407.db2.gz HVGXOFPRYUZCMS-MSOLQXFVSA-N 1 1 285.435 3.179 20 30 CGEDMO CC(=O)C=C(C)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255123185 806548698 /nfs/dbraw/zinc/54/86/98/806548698.db2.gz ZYEFKAHLKLQZGT-BMWMYPFGSA-N 1 1 298.430 3.264 20 30 CGEDMO C[C@@H](C#N)N(C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255151831 806554712 /nfs/dbraw/zinc/55/47/12/806554712.db2.gz YMKADVLOWKQSCP-DZJNRPSUSA-N 1 1 283.419 3.026 20 30 CGEDMO CC[C@H](CC#N)[NH2+][C@@H](CCO)c1cccc(Cl)c1 ZINC001255154087 806554847 /nfs/dbraw/zinc/55/48/47/806554847.db2.gz BHSJAHDSKVSYEC-KGLIPLIRSA-N 1 1 266.772 3.045 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1cc(Cl)c2cccnc2c1O ZINC001255156384 806556263 /nfs/dbraw/zinc/55/62/63/806556263.db2.gz OHDVIXRGKPCUNP-NSHDSACASA-N 1 1 289.766 3.376 20 30 CGEDMO CC[C@H](CC#N)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC001255155714 806556649 /nfs/dbraw/zinc/55/66/49/806556649.db2.gz SVAZILZBLDKYDF-MRXNPFEDSA-N 1 1 289.398 3.072 20 30 CGEDMO CC[C@@H](CC#N)[N@@H+](CC)CCc1ccc(OC)cc1 ZINC001255176480 806570213 /nfs/dbraw/zinc/57/02/13/806570213.db2.gz AYMIRMMVGICZOD-HNNXBMFYSA-N 1 1 260.381 3.252 20 30 CGEDMO CC[C@H](CC#N)[N@@H+](CC)Cc1ccc(N(C)C)cc1 ZINC001255178792 806571533 /nfs/dbraw/zinc/57/15/33/806571533.db2.gz JVZDRTOYYWESFE-OAHLLOKOSA-N 1 1 259.397 3.267 20 30 CGEDMO C[N@H+]1CCC[C@@H](N(CCC#N)C2CCCCCCC2)C1 ZINC001255486963 806650871 /nfs/dbraw/zinc/65/08/71/806650871.db2.gz PIFTVIWGOMNCSI-QGZVFWFLSA-N 1 1 277.456 3.409 20 30 CGEDMO CN1CCC[C@@H]([N@H+](CCC#N)C2CCCCCCC2)C1 ZINC001255486963 806650872 /nfs/dbraw/zinc/65/08/72/806650872.db2.gz PIFTVIWGOMNCSI-QGZVFWFLSA-N 1 1 277.456 3.409 20 30 CGEDMO CN1CCC[C@@H]([N@@H+](CCC#N)C2CCCCCCC2)C1 ZINC001255486963 806650876 /nfs/dbraw/zinc/65/08/76/806650876.db2.gz PIFTVIWGOMNCSI-QGZVFWFLSA-N 1 1 277.456 3.409 20 30 CGEDMO CCCC[N@H+](CCC#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001255605757 806680343 /nfs/dbraw/zinc/68/03/43/806680343.db2.gz WSJIXMJAMVUTJV-AWEZNQCLSA-N 1 1 295.427 3.012 20 30 CGEDMO CCCC[N@@H+](CCC#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001255605757 806680346 /nfs/dbraw/zinc/68/03/46/806680346.db2.gz WSJIXMJAMVUTJV-AWEZNQCLSA-N 1 1 295.427 3.012 20 30 CGEDMO COc1ccc([C@H](C)[NH2+]CC(C)(C)C#N)cc1F ZINC000122319325 798990290 /nfs/dbraw/zinc/99/02/90/798990290.db2.gz LRLTWEUAYTZOFL-JTQLQIEISA-N 1 1 250.317 3.035 20 30 CGEDMO CC[N@H+](Cc1cc(F)cc(C#N)c1)Cc1ccccn1 ZINC000163642376 799083269 /nfs/dbraw/zinc/08/32/69/799083269.db2.gz NONXMCBDQZPWFF-UHFFFAOYSA-N 1 1 269.323 3.114 20 30 CGEDMO CC[N@@H+](Cc1cc(F)cc(C#N)c1)Cc1ccccn1 ZINC000163642376 799083276 /nfs/dbraw/zinc/08/32/76/799083276.db2.gz NONXMCBDQZPWFF-UHFFFAOYSA-N 1 1 269.323 3.114 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](Nc2cc(C#N)cc(Cl)n2)[C@@H](C)C1 ZINC001163358596 806745966 /nfs/dbraw/zinc/74/59/66/806745966.db2.gz VFMPHNLGTIXDMO-AAEUAGOBSA-N 1 1 292.814 3.137 20 30 CGEDMO N#CCc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)cc1 ZINC000399130105 799535509 /nfs/dbraw/zinc/53/55/09/799535509.db2.gz WMUSNKDHOXFASE-ZDUSSCGKSA-N 1 1 268.282 3.137 20 30 CGEDMO C[C@@H](C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1)C(C)(C)C ZINC000402229189 799561377 /nfs/dbraw/zinc/56/13/77/799561377.db2.gz XZHQTZJSTYODNK-XJKSGUPXSA-N 1 1 274.408 3.206 20 30 CGEDMO Cc1cc(F)c(C#N)c(NCC[C@H]2CCC[N@H+](C)C2)c1 ZINC001163459414 806766382 /nfs/dbraw/zinc/76/63/82/806766382.db2.gz CFPLGUFAPLRZKO-CYBMUJFWSA-N 1 1 275.371 3.150 20 30 CGEDMO C[C@@H](C[N@@H+](C)Cc1ccc(C#N)cc1)C(F)(F)F ZINC000441151497 799615358 /nfs/dbraw/zinc/61/53/58/799615358.db2.gz BLKAYCTYCPLKAP-JTQLQIEISA-N 1 1 256.271 3.188 20 30 CGEDMO C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CCC#N ZINC000449288791 799621247 /nfs/dbraw/zinc/62/12/47/799621247.db2.gz ODDOLRIUKJCPJN-VIFPVBQESA-N 1 1 273.163 3.264 20 30 CGEDMO CC(=NCc1cccc(C[NH3+])c1)Nc1nccc2[nH]ccc21 ZINC001163466999 806767409 /nfs/dbraw/zinc/76/74/09/806767409.db2.gz XFLDYBNWXHIPMH-UHFFFAOYSA-N 1 1 293.374 3.052 20 30 CGEDMO CO[C@H]1CC[C@@H](C)[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000687219434 799737900 /nfs/dbraw/zinc/73/79/00/799737900.db2.gz QELXJNKMHCCESK-KGLIPLIRSA-N 1 1 252.402 3.206 20 30 CGEDMO C#C[C@H]([NH2+]Cc1cc(O)ccc1Br)C(C)(C)C ZINC000702227775 799904094 /nfs/dbraw/zinc/90/40/94/799904094.db2.gz LKSPLVAPWHGFSQ-ZDUSSCGKSA-N 1 1 296.208 3.292 20 30 CGEDMO C[C@@]12CN(Cc3ccccc3)C[C@@H]1C[N@H+](CCCCC#N)C2 ZINC000702261008 799906598 /nfs/dbraw/zinc/90/65/98/799906598.db2.gz GTLUHFPYBXNOAF-RBUKOAKNSA-N 1 1 297.446 3.134 20 30 CGEDMO C[C@@]12CN(Cc3ccccc3)C[C@@H]1C[N@@H+](CCCCC#N)C2 ZINC000702261008 799906606 /nfs/dbraw/zinc/90/66/06/799906606.db2.gz GTLUHFPYBXNOAF-RBUKOAKNSA-N 1 1 297.446 3.134 20 30 CGEDMO N#Cc1cc(F)cc(C[N@H+]2CCCC(F)(F)CC2)c1 ZINC000702827064 799915530 /nfs/dbraw/zinc/91/55/30/799915530.db2.gz JLFGRUXSRQOHSD-UHFFFAOYSA-N 1 1 268.282 3.319 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)C[C@@H]1CCC2(CCC2)CO1 ZINC000716348320 800168930 /nfs/dbraw/zinc/16/89/30/800168930.db2.gz RKPFDJRHCBHNLI-HNNXBMFYSA-N 1 1 264.413 3.207 20 30 CGEDMO Cc1ccc(C[NH2+]C[C@@H](C)C#N)c(C)c1Br ZINC000719586973 800244257 /nfs/dbraw/zinc/24/42/57/800244257.db2.gz XCWUMCSCDVFTMV-VIFPVBQESA-N 1 1 281.197 3.315 20 30 CGEDMO CC(C)(C#N)CCCC[N@@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000719687582 800249793 /nfs/dbraw/zinc/24/97/93/800249793.db2.gz KDQAPRPLMNVHTH-AWEZNQCLSA-N 1 1 266.429 3.189 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)c1 ZINC000721559299 800294609 /nfs/dbraw/zinc/29/46/09/800294609.db2.gz LTPSCBBSWQCLQB-HZPDHXFCSA-N 1 1 255.365 3.108 20 30 CGEDMO N#Cc1cncc(C[N@@H+](Cc2ccccc2)C2CC2)c1 ZINC000721602255 800297232 /nfs/dbraw/zinc/29/72/32/800297232.db2.gz IPYZUUSWDCMAKA-UHFFFAOYSA-N 1 1 263.344 3.118 20 30 CGEDMO C[C@@H](CNc1nc(Cl)c(C#N)s1)[N@H+]1CCC[C@@H](C)C1 ZINC000804350357 800397424 /nfs/dbraw/zinc/39/74/24/800397424.db2.gz ZPBHGOPKOLSOAH-ZJUUUORDSA-N 1 1 298.843 3.200 20 30 CGEDMO N#CCSCCC[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872278656 800537393 /nfs/dbraw/zinc/53/73/93/800537393.db2.gz WTRDLBLOOQZLBF-HNNXBMFYSA-N 1 1 282.453 3.057 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886829500 800546867 /nfs/dbraw/zinc/54/68/67/800546867.db2.gz BKEJWQNDOMCTGE-AEFFLSMTSA-N 1 1 298.430 3.489 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000933771020 800676026 /nfs/dbraw/zinc/67/60/26/800676026.db2.gz UXWBEPSCRQMOLA-ZFWWWQNUSA-N 1 1 276.405 3.009 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)c2cccc(C)c2C)CC1 ZINC001001420993 800697260 /nfs/dbraw/zinc/69/72/60/800697260.db2.gz XWLFENUQNGCUOM-UHFFFAOYSA-N 1 1 298.430 3.241 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[C@@H]3C[N@@H+](CC)CC[C@H]32)CC1 ZINC001021664357 800702143 /nfs/dbraw/zinc/70/21/43/800702143.db2.gz HJDQGZCBAINZQV-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[C@H]3C[N@@H+](CC)CC[C@@H]32)CC1 ZINC001021664359 800702186 /nfs/dbraw/zinc/70/21/86/800702186.db2.gz HJDQGZCBAINZQV-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccsc2C)C1 ZINC001023352809 800709869 /nfs/dbraw/zinc/70/98/69/800709869.db2.gz VCDQINDOYNGQNS-AWEZNQCLSA-N 1 1 292.448 3.074 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cc(C)cs2)C1 ZINC001023359029 800710380 /nfs/dbraw/zinc/71/03/80/800710380.db2.gz VVPNJGYUJITOSU-AWEZNQCLSA-N 1 1 292.448 3.074 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(Cl)cs2)C1 ZINC001023628594 800713173 /nfs/dbraw/zinc/71/31/73/800713173.db2.gz CYDRDONQJUICIC-NSHDSACASA-N 1 1 298.839 3.029 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001023575722 800714100 /nfs/dbraw/zinc/71/41/00/800714100.db2.gz ZLEHYEXGNHROJW-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001023713082 800715734 /nfs/dbraw/zinc/71/57/34/800715734.db2.gz VRFUXHLKPNCQHM-BRWVUGGUSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)C1CCCC1 ZINC001024298914 800722166 /nfs/dbraw/zinc/72/21/66/800722166.db2.gz GNUOXZSJVDAUDY-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CCC)CC1 ZINC001024631273 800732455 /nfs/dbraw/zinc/73/24/55/800732455.db2.gz JFMOKFGESPAWQC-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1occc1Cl ZINC001024636599 800734295 /nfs/dbraw/zinc/73/42/95/800734295.db2.gz UNXMHFGNOUVWAQ-GFCCVEGCSA-N 1 1 296.798 3.093 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1Cl ZINC001024768516 800735316 /nfs/dbraw/zinc/73/53/16/800735316.db2.gz SDPLRXQYFHGXDS-CYBMUJFWSA-N 1 1 292.810 3.110 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C)cc1 ZINC001024773803 800737977 /nfs/dbraw/zinc/73/79/77/800737977.db2.gz LDRSZQYRAVTNNN-QGZVFWFLSA-N 1 1 286.419 3.155 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1CCC1 ZINC001025188021 800745473 /nfs/dbraw/zinc/74/54/73/800745473.db2.gz GSHKGXLZLHRWME-DLBZAZTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC1CC1 ZINC001025189513 800747419 /nfs/dbraw/zinc/74/74/19/800747419.db2.gz QOPSTHONNPTRDI-IAGOWNOFSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC(C)C ZINC001025196020 800749135 /nfs/dbraw/zinc/74/91/35/800749135.db2.gz PYDLUNUBSLDXCO-IAGOWNOFSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCCC[C@H]1[C@H]1CCC[N@H+]1CCF ZINC001025259044 800751641 /nfs/dbraw/zinc/75/16/41/800751641.db2.gz NBHZSYUGVXVLGO-CABCVRRESA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccco2)C1 ZINC001025318819 800755459 /nfs/dbraw/zinc/75/54/59/800755459.db2.gz CDIIWGWKOGRKQJ-CABCVRRESA-N 1 1 290.407 3.076 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccs2)C1 ZINC001025327544 800757195 /nfs/dbraw/zinc/75/71/95/800757195.db2.gz AGSWVPYITUGFTR-KBPBESRZSA-N 1 1 292.448 3.155 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cc(C)cs2)C1 ZINC001025410412 800761185 /nfs/dbraw/zinc/76/11/85/800761185.db2.gz AKDDWADUAVUUSX-KBPBESRZSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001025522789 800762614 /nfs/dbraw/zinc/76/26/14/800762614.db2.gz JGYAISMZHUWKID-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc3occc3c2)C1 ZINC001027423109 800795338 /nfs/dbraw/zinc/79/53/38/800795338.db2.gz UWCXIGNOSNJFED-INIZCTEOSA-N 1 1 298.386 3.155 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]([N@@H+](C)CCC2CC2)C1 ZINC001027560038 800804006 /nfs/dbraw/zinc/80/40/06/800804006.db2.gz OHGKIYGZBIJKEB-SJLPKXTDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001027703967 800814317 /nfs/dbraw/zinc/81/43/17/800814317.db2.gz ICKKBXLDUOBNLS-AWEZNQCLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C1=CCCCCC1 ZINC001027847351 800824378 /nfs/dbraw/zinc/82/43/78/800824378.db2.gz ILQHOAQJFTVYQY-HNNXBMFYSA-N 1 1 296.842 3.210 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C1=CCCCCC1 ZINC001027847351 800824385 /nfs/dbraw/zinc/82/43/85/800824385.db2.gz ILQHOAQJFTVYQY-HNNXBMFYSA-N 1 1 296.842 3.210 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(C(F)F)c1 ZINC001028272749 800838121 /nfs/dbraw/zinc/83/81/21/800838121.db2.gz ITUAQIHUAFMMNW-CQSZACIVSA-N 1 1 294.345 3.004 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(C)cc(C)c1 ZINC001028283722 800840749 /nfs/dbraw/zinc/84/07/49/800840749.db2.gz OFTDVGLUGLZDOE-KRWDZBQOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccoc1C(C)C ZINC001028344932 800844738 /nfs/dbraw/zinc/84/47/38/800844738.db2.gz SGFNDEBNCYZJHZ-AWEZNQCLSA-N 1 1 290.407 3.173 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001028625518 800850648 /nfs/dbraw/zinc/85/06/48/800850648.db2.gz SSGATMHNPCFILY-IAGOWNOFSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)C2(C)CCCCCC2)C1 ZINC001030455203 800892720 /nfs/dbraw/zinc/89/27/20/800892720.db2.gz KVIWQOJAYFRFBK-UHFFFAOYSA-N 1 1 278.440 3.114 20 30 CGEDMO Cc1ccc(CC#N)c(N2CCCC(F)(F)CC2)[nH+]1 ZINC001163982390 806869102 /nfs/dbraw/zinc/86/91/02/806869102.db2.gz RGUYXBITRNFYPI-UHFFFAOYSA-N 1 1 265.307 3.082 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(CC)(CC)CC ZINC001032703226 800934869 /nfs/dbraw/zinc/93/48/69/800934869.db2.gz OIMFXNFBBNCYLL-GJZGRUSLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(CC)(CC)CC ZINC001032703226 800934870 /nfs/dbraw/zinc/93/48/70/800934870.db2.gz OIMFXNFBBNCYLL-GJZGRUSLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C(C)C)c1 ZINC001032714405 800935153 /nfs/dbraw/zinc/93/51/53/800935153.db2.gz CVHQKMJJHHYOQN-ROUUACIJSA-N 1 1 298.430 3.285 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C(C)C)c1 ZINC001032714405 800935159 /nfs/dbraw/zinc/93/51/59/800935159.db2.gz CVHQKMJJHHYOQN-ROUUACIJSA-N 1 1 298.430 3.285 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC(C)(C)C1 ZINC001032808426 800937507 /nfs/dbraw/zinc/93/75/07/800937507.db2.gz XGVUQPNJJBGZNP-JYJNAYRXSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2oc(C)cc2C)C1 ZINC001032983961 800947203 /nfs/dbraw/zinc/94/72/03/800947203.db2.gz WTXDKOLSBVWOLG-OAHLLOKOSA-N 1 1 290.407 3.009 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)=C2CCCC2)C1 ZINC001032989045 800948055 /nfs/dbraw/zinc/94/80/55/800948055.db2.gz AAVRXYJMZLZEEU-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001033076077 800951976 /nfs/dbraw/zinc/95/19/76/800951976.db2.gz KYFRGTLZNRPTCP-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)C2(C)CCCCCC2)C1 ZINC001033152345 800953514 /nfs/dbraw/zinc/95/35/14/800953514.db2.gz QPJVULVSXZINLW-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2csc(C)c2C)C1 ZINC001033109110 800954304 /nfs/dbraw/zinc/95/43/04/800954304.db2.gz WXTULSSPEMSTRL-CQSZACIVSA-N 1 1 292.448 3.087 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)C2CCCCCCC2)C1 ZINC001033252793 800955615 /nfs/dbraw/zinc/95/56/15/800955615.db2.gz JVZGWNHMWJWPTL-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)C2(C3CCC3)CCC2)C1 ZINC001033313002 800959784 /nfs/dbraw/zinc/95/97/84/800959784.db2.gz RYZZXCDSEKSORV-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C1CCC(C(=O)N(C)[C@H]2CC[N@H+](C[C@@H](C)CC)C2)CC1 ZINC001033389688 800962510 /nfs/dbraw/zinc/96/25/10/800962510.db2.gz SVHOAVKBKJOWRW-YOEHRIQHSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001033433440 800964195 /nfs/dbraw/zinc/96/41/95/800964195.db2.gz OKFIBXMTXKJWSZ-IXDOHACOSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)C2CCCCC2)C1 ZINC001033485747 800966035 /nfs/dbraw/zinc/96/60/35/800966035.db2.gz DWSNGNFUEWNYAY-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Cl)s2)C1 ZINC001033638232 800972192 /nfs/dbraw/zinc/97/21/92/800972192.db2.gz XNZGUMDCIDVTMX-NSHDSACASA-N 1 1 298.839 3.124 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C)s2)C1 ZINC001033734941 800980384 /nfs/dbraw/zinc/98/03/84/800980384.db2.gz UUZFTPDYZGLVIY-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2occc2C)C1 ZINC001033757531 800982184 /nfs/dbraw/zinc/98/21/84/800982184.db2.gz UYTFNJARGHKBNC-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CC[N@H+]1CC[C@H](N(CC)C(=O)c2sccc2Cl)C1 ZINC001033840910 800985708 /nfs/dbraw/zinc/98/57/08/800985708.db2.gz MGLNUJFEWGLINT-NSHDSACASA-N 1 1 298.839 3.124 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2sccc2Cl)C1 ZINC001033840910 800985711 /nfs/dbraw/zinc/98/57/11/800985711.db2.gz MGLNUJFEWGLINT-NSHDSACASA-N 1 1 298.839 3.124 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccsc2C)C1 ZINC001033822587 800986216 /nfs/dbraw/zinc/98/62/16/800986216.db2.gz YVBVFASGTSOAIU-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001033927822 800988570 /nfs/dbraw/zinc/98/85/70/800988570.db2.gz QNRUECBSFOTAKK-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cocc2C)C1 ZINC001033925235 800988658 /nfs/dbraw/zinc/98/86/58/800988658.db2.gz CHJWGSLFPNIGAS-HNNXBMFYSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001033952120 800991726 /nfs/dbraw/zinc/99/17/26/800991726.db2.gz MWAMNCQBXOQPEV-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(C)ccc2C)C1 ZINC001034027217 800994653 /nfs/dbraw/zinc/99/46/53/800994653.db2.gz XBOZYAIEBPVZJY-MRXNPFEDSA-N 1 1 286.419 3.026 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc(C)c2C)C1 ZINC001034034744 800995229 /nfs/dbraw/zinc/99/52/29/800995229.db2.gz NJHKQFHXMSMDBP-INIZCTEOSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2cc(C)oc2C)C1 ZINC001034101436 801006201 /nfs/dbraw/zinc/00/62/01/801006201.db2.gz LJESGDDCLIGDDR-OAHLLOKOSA-N 1 1 290.407 3.057 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC23CC3)C1 ZINC001034274334 801014771 /nfs/dbraw/zinc/01/47/71/801014771.db2.gz SZKBSVMNQCHCKV-JKSUJKDBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001034300985 801015727 /nfs/dbraw/zinc/01/57/27/801015727.db2.gz DNUSYYLBLSOFCS-ARFHVFGLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001034479917 801028801 /nfs/dbraw/zinc/02/88/01/801028801.db2.gz CLEMBCJQHCYVSN-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2ccoc2C(C)C)C1 ZINC001034546148 801031895 /nfs/dbraw/zinc/03/18/95/801031895.db2.gz HETMPNAZAZYMSS-AWEZNQCLSA-N 1 1 290.407 3.173 20 30 CGEDMO C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)C(C)(C)CC)CC2 ZINC001035218049 801055464 /nfs/dbraw/zinc/05/54/64/801055464.db2.gz BLZZJFCFEQJKHU-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC2(CC[N@H+](C(C)C)C2)CC1 ZINC001035227067 801057826 /nfs/dbraw/zinc/05/78/26/801057826.db2.gz QTBOZTPHTUPMNQ-QGZVFWFLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C)cc3)CC[C@H]21 ZINC001036879236 801093276 /nfs/dbraw/zinc/09/32/76/801093276.db2.gz JSGBDFDFUOFOCP-QZTJIDSGSA-N 1 1 298.430 3.108 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(CC)CCCC3)CC[C@@H]21 ZINC001036858119 801093546 /nfs/dbraw/zinc/09/35/46/801093546.db2.gz UOPSYZPULOHNEO-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1scc(C)c1Cl ZINC001038284738 801122510 /nfs/dbraw/zinc/12/25/10/801122510.db2.gz RUAMZGXEVHMZRA-NSHDSACASA-N 1 1 298.839 3.090 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1scc(C)c1Cl ZINC001038284738 801122514 /nfs/dbraw/zinc/12/25/14/801122514.db2.gz RUAMZGXEVHMZRA-NSHDSACASA-N 1 1 298.839 3.090 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C)cc1Cl ZINC001038733703 801132446 /nfs/dbraw/zinc/13/24/46/801132446.db2.gz ZSXKDARJXCZMNZ-CYBMUJFWSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C)cc1Cl ZINC001038733703 801132451 /nfs/dbraw/zinc/13/24/51/801132451.db2.gz ZSXKDARJXCZMNZ-CYBMUJFWSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)c1csc(Cl)c1 ZINC001038774891 801134243 /nfs/dbraw/zinc/13/42/43/801134243.db2.gz BQFZMXHQWCYLBD-LBPRGKRZSA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)c1ccoc1CCC ZINC001038910757 801135487 /nfs/dbraw/zinc/13/54/87/801135487.db2.gz AWACFAGWSJRUDE-AWEZNQCLSA-N 1 1 290.407 3.002 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]1CNC(=O)c1cccc(C2CCC2)c1 ZINC001038914939 801135557 /nfs/dbraw/zinc/13/55/57/801135557.db2.gz SLOMVPCOVKIRID-SFHVURJKSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)C1CCC(C)(C)CC1 ZINC001039057816 801144241 /nfs/dbraw/zinc/14/42/41/801144241.db2.gz YCXXXZDZAOWTEV-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC(C)C ZINC001039323897 801157924 /nfs/dbraw/zinc/15/79/24/801157924.db2.gz XGDFOKINJMQUIO-CVEARBPZSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC(C)(C)C1 ZINC001039369703 801160637 /nfs/dbraw/zinc/16/06/37/801160637.db2.gz BVUMGSBHADCNDQ-CVEARBPZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)C(C)C ZINC001039420672 801161336 /nfs/dbraw/zinc/16/13/36/801161336.db2.gz BQEULSALUIUBKU-PMPSAXMXSA-N 1 1 296.430 3.012 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(CC)CC ZINC001039471861 801163425 /nfs/dbraw/zinc/16/34/25/801163425.db2.gz QDZIQLXUQDUGMY-CABCVRRESA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001039823025 801166708 /nfs/dbraw/zinc/16/67/08/801166708.db2.gz NBWYVIMIMQREGA-IYBDPMFKSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)c3cccc(C)c3)C2)C1 ZINC001040054730 801171576 /nfs/dbraw/zinc/17/15/76/801171576.db2.gz DOEXFCLBPAXFDW-IBGZPJMESA-N 1 1 298.430 3.109 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C)CC)C2)C1 ZINC001040082437 801172907 /nfs/dbraw/zinc/17/29/07/801172907.db2.gz DZBNYMZTMQTHKH-CZUORRHYSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C)CC)C2)C1 ZINC001040082437 801172912 /nfs/dbraw/zinc/17/29/12/801172912.db2.gz DZBNYMZTMQTHKH-CZUORRHYSA-N 1 1 298.858 3.100 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@]2(CC[N@H+](C[C@@H](C)CC)C2)C1 ZINC001041541212 801189499 /nfs/dbraw/zinc/18/94/99/801189499.db2.gz VBMCCIPJTOAVJF-YJBOKZPZSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@@]2(CC[N@H+](CCC(C)C)C2)C1 ZINC001041541858 801189985 /nfs/dbraw/zinc/18/99/85/801189985.db2.gz ZPCWOYINZGFWRJ-GOSISDBHSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(CCN(C(=O)c3ccc(C=C)cc3)C2)C1 ZINC001041704984 801192233 /nfs/dbraw/zinc/19/22/33/801192233.db2.gz HZWHLLZBNLNBDG-IBGZPJMESA-N 1 1 296.414 3.054 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(CC)CC)C2)C1 ZINC001041840790 801194168 /nfs/dbraw/zinc/19/41/68/801194168.db2.gz GPXYBSVADDOACY-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)C(CC)CC)C[C@H]21 ZINC001041949328 801198772 /nfs/dbraw/zinc/19/87/72/801198772.db2.gz GYPCDQLWCSKZPY-LSDHHAIUSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)C(CC)CC)C[C@H]21 ZINC001041949328 801198775 /nfs/dbraw/zinc/19/87/75/801198775.db2.gz GYPCDQLWCSKZPY-LSDHHAIUSA-N 1 1 298.858 3.098 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)CC)C2 ZINC001045919820 801294066 /nfs/dbraw/zinc/29/40/66/801294066.db2.gz VXICBZQEPDFQRX-SJLPKXTDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCCC[C@@]2(CC[N@H+](C(C)C)C2)C1 ZINC001045958192 801295085 /nfs/dbraw/zinc/29/50/85/801295085.db2.gz LYLUJMNNYPVFJZ-SFHVURJKSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2ccoc2CCC)C1 ZINC001046767754 801323421 /nfs/dbraw/zinc/32/34/21/801323421.db2.gz QGDINISMEFQAPM-KRWDZBQOSA-N 1 1 290.407 3.002 20 30 CGEDMO C=CCC[N@H+]1C[C@H]2CN(C(=O)C(CC)(CC)CC)C[C@H]2C1 ZINC001049134888 801356826 /nfs/dbraw/zinc/35/68/26/801356826.db2.gz PGBSZDJWPNVVJC-IYBDPMFKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)C1CC1 ZINC001049403691 801368221 /nfs/dbraw/zinc/36/82/21/801368221.db2.gz JZAFYYBBECTFTI-USXIJHARSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC[C@H](C)F ZINC001049646024 801380469 /nfs/dbraw/zinc/38/04/69/801380469.db2.gz OPSSAPYVCBCWBF-ZNMIVQPWSA-N 1 1 296.430 3.012 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC(=C)C ZINC001049644714 801380569 /nfs/dbraw/zinc/38/05/69/801380569.db2.gz KOERWAQJCIZFQL-HZPDHXFCSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC[C@H](C)F ZINC001049646022 801380835 /nfs/dbraw/zinc/38/08/35/801380835.db2.gz OPSSAPYVCBCWBF-RRFJBIMHSA-N 1 1 296.430 3.012 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC(=C)C ZINC001049693666 801384930 /nfs/dbraw/zinc/38/49/30/801384930.db2.gz ODNCQGHDWYLXOR-SOLBZPMBSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCC ZINC001049699809 801386764 /nfs/dbraw/zinc/38/67/64/801386764.db2.gz MSRUVLLZWRGOPA-XYJFISCASA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)C1CCCC1 ZINC001049834754 801389747 /nfs/dbraw/zinc/38/97/47/801389747.db2.gz DELJPWXPYPUAPL-HYVNUMGLSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(C)ccc1C ZINC001049862552 801391542 /nfs/dbraw/zinc/39/15/42/801391542.db2.gz IOFQQVCTLHCQGU-QZTJIDSGSA-N 1 1 298.430 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cc(C)cc(C)c1 ZINC001049863196 801392051 /nfs/dbraw/zinc/39/20/51/801392051.db2.gz LSUSDIKXXNKXGV-MSOLQXFVSA-N 1 1 298.430 3.168 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccoc2Cl)CC1 ZINC001052340963 801431414 /nfs/dbraw/zinc/43/14/14/801431414.db2.gz DEOVSJPASXFIHN-GFCCVEGCSA-N 1 1 296.798 3.093 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](NC(=O)C2=CCCCCC2)CC1 ZINC001052334565 801431463 /nfs/dbraw/zinc/43/14/63/801431463.db2.gz BGIJMVOQZJKDFG-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC23CC3)CC1 ZINC001052486911 801436766 /nfs/dbraw/zinc/43/67/66/801436766.db2.gz QNONSCKNQMKPAF-HZPDHXFCSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2cocc2C)CC1 ZINC001052629971 801441471 /nfs/dbraw/zinc/44/14/71/801441471.db2.gz URRWNOCGYZQEGZ-OAHLLOKOSA-N 1 1 290.407 3.139 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C2CCC(F)CC2)CC1 ZINC001052683911 801447419 /nfs/dbraw/zinc/44/74/19/801447419.db2.gz NWSDIZIZLMVGQN-UYSNPLJNSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](CCC(C)C)CC2)C1 ZINC001052692603 801447661 /nfs/dbraw/zinc/44/76/61/801447661.db2.gz HTTCYSUAOCHFBZ-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO CC[C@](C)(C#N)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256529266 806911028 /nfs/dbraw/zinc/91/10/28/806911028.db2.gz AWCLIHLKIPEFKC-KBAYOESNSA-N 1 1 285.435 3.321 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC23CCCC3)CC1 ZINC001052843065 801453672 /nfs/dbraw/zinc/45/36/72/801453672.db2.gz ARIWBUZLWBOEGE-HOTGVXAUSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)C2CCC=CCC2)CC1 ZINC001052942953 801457725 /nfs/dbraw/zinc/45/77/25/801457725.db2.gz HVNZAIOIFPHYBR-KRWDZBQOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccc(C)c1)C2 ZINC001054078295 801472295 /nfs/dbraw/zinc/47/22/95/801472295.db2.gz KJAPEVYJFPONEW-LJQANCHMSA-N 1 1 298.430 3.109 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)CC)C2 ZINC001054089983 801473994 /nfs/dbraw/zinc/47/39/94/801473994.db2.gz RUGXWEZKGNLIMT-XJKSGUPXSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)/C(C)=C/C)C2 ZINC001054110369 801474061 /nfs/dbraw/zinc/47/40/61/801474061.db2.gz DQHMZTIUJPFOBO-DQNFTHGOSA-N 1 1 296.842 3.020 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[C@@]3(CC[N@H+](CC)C3)C2)CC1 ZINC001054189291 801477469 /nfs/dbraw/zinc/47/74/69/801477469.db2.gz FFFXCHKMZRGOQW-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3C[C@H]3C)cc2C1 ZINC001054253553 801482332 /nfs/dbraw/zinc/48/23/32/801482332.db2.gz CMULXIDEWRCPBY-KDOFPFPSSA-N 1 1 298.430 3.241 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)C2CCCC2)CC[C@H]1C ZINC001071294491 801521995 /nfs/dbraw/zinc/52/19/95/801521995.db2.gz UCNIJOUPKCFTKB-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2)CC[C@H]1C ZINC001071317674 801527874 /nfs/dbraw/zinc/52/78/74/801527874.db2.gz XDDXAQNRNQHDHC-WBVHZDCISA-N 1 1 286.419 3.236 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2ccsc2)CC[C@@H]1C ZINC001071334900 801530767 /nfs/dbraw/zinc/53/07/67/801530767.db2.gz NGFPMWBYWZIKHK-DZGCQCFKSA-N 1 1 292.448 3.297 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2ccc(Cl)o2)CC[C@@H]1C ZINC001071352171 801532161 /nfs/dbraw/zinc/53/21/61/801532161.db2.gz NQFMDWIJHCPVLM-NWDGAFQWSA-N 1 1 296.798 3.092 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2cscc2C)CC[C@H]1C ZINC001071399483 801534287 /nfs/dbraw/zinc/53/42/87/801534287.db2.gz UHNFIDIRKUPYRF-ZIAGYGMSSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2sccc2F)CC[C@H]1C ZINC001071490746 801540573 /nfs/dbraw/zinc/54/05/73/801540573.db2.gz QSCIOHSCEQNGBN-VXGBXAGGSA-N 1 1 296.411 3.046 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccsc2C)CC[C@H]1C ZINC001071494621 801540651 /nfs/dbraw/zinc/54/06/51/801540651.db2.gz VXCGEGXXNCIUQR-OCCSQVGLSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2sccc2F)CC[C@@H]1C ZINC001071490745 801540816 /nfs/dbraw/zinc/54/08/16/801540816.db2.gz QSCIOHSCEQNGBN-RYUDHWBXSA-N 1 1 296.411 3.046 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc3occc3c2)CC[C@@H]1C ZINC001071526107 801542874 /nfs/dbraw/zinc/54/28/74/801542874.db2.gz QIPQHFCWTOEXMQ-BBRMVZONSA-N 1 1 298.386 3.202 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2occc2Cl)CC[C@H]1C ZINC001071795611 801551214 /nfs/dbraw/zinc/55/12/14/801551214.db2.gz MJBUCVHQQVYEQI-NEPJUHHUSA-N 1 1 296.798 3.092 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)C2(C)CC=CC2)CC[C@H]1C ZINC001071799841 801551722 /nfs/dbraw/zinc/55/17/22/801551722.db2.gz NVIKCQXAJUNXHK-HZPDHXFCSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C2CCC(=C)CC2)CC[C@H]1C ZINC001071795590 801552638 /nfs/dbraw/zinc/55/26/38/801552638.db2.gz LTJKVPVYWXFEAT-WBVHZDCISA-N 1 1 290.451 3.278 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[C@H](C)[N@H+](CCCF)C2)CC1 ZINC001071794789 801552685 /nfs/dbraw/zinc/55/26/85/801552685.db2.gz FPHIQIXQMVLNMX-HOCLYGCPSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC=C(C)C)C2)C1 ZINC001071804160 801553553 /nfs/dbraw/zinc/55/35/53/801553553.db2.gz XQZHKEXNUCJCFG-HOTGVXAUSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2ccc(F)s2)CC[C@H]1C ZINC001072112654 801564847 /nfs/dbraw/zinc/56/48/47/801564847.db2.gz DEWCFFNIXKCZPG-VXGBXAGGSA-N 1 1 296.411 3.046 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)CC3CCCCC3)[C@@H]2C1 ZINC001075524279 801604306 /nfs/dbraw/zinc/60/43/06/801604306.db2.gz WSTXCQLOVKXOKW-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C1CCC(C(=O)N2CC[C@H]3C[N@H+](CCCC)C[C@H]32)CC1 ZINC001076208716 801615988 /nfs/dbraw/zinc/61/59/88/801615988.db2.gz HSLRYIQASLSXJA-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C)cc3C)[C@@H]2C1 ZINC001076523833 801619052 /nfs/dbraw/zinc/61/90/52/801619052.db2.gz MJYHUAUHPFADPS-FUHWJXTLSA-N 1 1 298.430 3.026 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2CCN(C(=O)CCC3CCCCC3)[C@@H]2C1 ZINC001076528563 801619299 /nfs/dbraw/zinc/61/92/99/801619299.db2.gz NPYLHGNIKSUQSO-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cscc2Cl)C1 ZINC001079914591 801648396 /nfs/dbraw/zinc/64/83/96/801648396.db2.gz URFMJKYPZRMRPI-ZWNOBZJWSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2CCCCCC2)C1 ZINC001080520616 801654554 /nfs/dbraw/zinc/65/45/54/801654554.db2.gz NSIXYPRKSOOZOK-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C(C)C)[C@@H]2C1 ZINC001084390374 801668235 /nfs/dbraw/zinc/66/82/35/801668235.db2.gz NBZIVWSXBGJICH-CRAIPNDOSA-N 1 1 298.430 3.142 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[N@@H+](CCC(=C)C)C[C@H]21 ZINC001084634973 801671073 /nfs/dbraw/zinc/67/10/73/801671073.db2.gz LXZDKMHUUOSYPC-JFIYKMOQSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1C ZINC001085465374 801689771 /nfs/dbraw/zinc/68/97/71/801689771.db2.gz ALWKZXSCIZGSNX-MRXNPFEDSA-N 1 1 286.419 3.108 20 30 CGEDMO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2C[C@H](C)CC)CC1 ZINC001085801210 801705563 /nfs/dbraw/zinc/70/55/63/801705563.db2.gz MHQXHHAWBYYEOS-PBHICJAKSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)cccc1C ZINC001085835957 801706980 /nfs/dbraw/zinc/70/69/80/801706980.db2.gz XZPNQALEGIEFLZ-MRXNPFEDSA-N 1 1 286.419 3.026 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C)cc1C ZINC001085953775 801713456 /nfs/dbraw/zinc/71/34/56/801713456.db2.gz KBPIPCRIACFRGX-MRXNPFEDSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC(C)(C)C1 ZINC001085990551 801717319 /nfs/dbraw/zinc/71/73/19/801717319.db2.gz SGSNTTTVWKHDAC-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2sccc2C)[C@H]1CC ZINC001087488657 801749956 /nfs/dbraw/zinc/74/99/56/801749956.db2.gz LZSJBDKKAHGWGP-UONOGXRCSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2CCCCC2)[C@H]1CC ZINC001087487572 801750592 /nfs/dbraw/zinc/75/05/92/801750592.db2.gz LZALCNWRODBETJ-JKSUJKDBSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2C=CCC2)[C@H]1CC ZINC001087496504 801752955 /nfs/dbraw/zinc/75/29/55/801752955.db2.gz BVPBWTRNTLNJBQ-IXDOHACOSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2=CCCCCC2)[C@H]1CC ZINC001087553164 801756748 /nfs/dbraw/zinc/75/67/48/801756748.db2.gz RGVJOQHBLGVAGR-DLBZAZTESA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC2(C)C)[C@H]1C ZINC001088801868 801809360 /nfs/dbraw/zinc/80/93/60/801809360.db2.gz TYSUDQGEMHJXNT-OAGGEKHMSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC23CCCC3)[C@H]1C ZINC001088961304 801814822 /nfs/dbraw/zinc/81/48/22/801814822.db2.gz WTQVLLOILFYGPF-OAGGEKHMSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)CCC=C3)[C@H]1C ZINC001088985879 801817115 /nfs/dbraw/zinc/81/71/15/801817115.db2.gz YNCVFKZISQSKRG-KDOFPFPSSA-N 1 1 296.414 3.025 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)CC=C(C)CC2)[C@H]1C ZINC001089054290 801817759 /nfs/dbraw/zinc/81/77/59/801817759.db2.gz JQOFGVOPWLMFEH-RYRKJORJSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccco2)CC(C)(C)C1 ZINC001089301203 801832047 /nfs/dbraw/zinc/83/20/47/801832047.db2.gz PPZKWZJFSFJBSL-CQSZACIVSA-N 1 1 290.407 3.076 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1CCC ZINC001089690725 801849211 /nfs/dbraw/zinc/84/92/11/801849211.db2.gz DBBLOTTWSIIRCV-OWCLPIDISA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC1(C)C ZINC001089630740 801849616 /nfs/dbraw/zinc/84/96/16/801849616.db2.gz WVBRHVCSQGNEMK-CABCVRRESA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](CNC(=O)c2cccs2)[C@H](C)C1 ZINC001092442890 801862292 /nfs/dbraw/zinc/86/22/92/801862292.db2.gz YMQSAZSQRIAZKJ-ZIAGYGMSSA-N 1 1 292.448 3.012 20 30 CGEDMO C=CC[N@H+]1C[C@@H](CNC(=O)c2ccc(C3CC3)cc2)[C@H](C)C1 ZINC001093212185 801867315 /nfs/dbraw/zinc/86/73/15/801867315.db2.gz JSKIGIAZZPZXAQ-RDTXWAMCSA-N 1 1 298.430 3.048 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C)CCCCCC1)C2 ZINC001095548170 801885925 /nfs/dbraw/zinc/88/59/25/801885925.db2.gz MHUOJPYLDDLOIN-PMPSAXMXSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)c1ccccc1)C2 ZINC001096386823 801887203 /nfs/dbraw/zinc/88/72/03/801887203.db2.gz AKYSQNFKVIKWAB-BGTYHANMSA-N 1 1 298.430 3.088 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CCCCC1)C2 ZINC001096773351 801896357 /nfs/dbraw/zinc/89/63/57/801896357.db2.gz XIHUSWIDNHPWAB-ZACQAIPSSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C1CCC1)C2 ZINC001097586567 801899247 /nfs/dbraw/zinc/89/92/47/801899247.db2.gz UAKDTVJXPMSUKU-OAGGEKHMSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C)CCCCCC1)C2 ZINC001097239273 801900413 /nfs/dbraw/zinc/90/04/13/801900413.db2.gz MHUOJPYLDDLOIN-OAGGEKHMSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCC(=C)CC1)C2 ZINC001097789517 801905317 /nfs/dbraw/zinc/90/53/17/801905317.db2.gz SMKJJIYRDBYCCP-ZACQAIPSSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)cc(C)c1)C2 ZINC001098279854 801908793 /nfs/dbraw/zinc/90/87/93/801908793.db2.gz XHGDOYOLLKQRBS-KURKYZTESA-N 1 1 298.430 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC ZINC001098856299 801918481 /nfs/dbraw/zinc/91/84/81/801918481.db2.gz XZDBCKFOWHGHSZ-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC(C)(C)C ZINC001098899153 801920662 /nfs/dbraw/zinc/92/06/62/801920662.db2.gz CRNVMHQOVQFSCN-HNNXBMFYSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)CCC ZINC001098983830 801924838 /nfs/dbraw/zinc/92/48/38/801924838.db2.gz UJRVAURYSRZBDH-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H](C)CC ZINC001099048859 801926341 /nfs/dbraw/zinc/92/63/41/801926341.db2.gz LIOJNCUTKUJXMN-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)C1CCC1 ZINC001099122351 801931007 /nfs/dbraw/zinc/93/10/07/801931007.db2.gz YOQRNZIKRMNJBR-HOCLYGCPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCC1CC1 ZINC001099189840 801931475 /nfs/dbraw/zinc/93/14/75/801931475.db2.gz XVHYSTYSVZBNMW-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1(C)CCC1 ZINC001099175084 801931943 /nfs/dbraw/zinc/93/19/43/801931943.db2.gz DTJZALPRHQTGRX-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)C(C)C ZINC001099257249 801934373 /nfs/dbraw/zinc/93/43/73/801934373.db2.gz CGNJXNUQKZQLQZ-HOTGVXAUSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)CC(C)C ZINC001099286370 801936001 /nfs/dbraw/zinc/93/60/01/801936001.db2.gz VPFHUNSABUEHMQ-HOTGVXAUSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C)CCC)C[C@]2(C)C1 ZINC001101177340 801974007 /nfs/dbraw/zinc/97/40/07/801974007.db2.gz AHRJSOHGIOEWTJ-NUJGCVRESA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CN(C(=O)CC(C)(C)CC)C[C@]2(C)C1 ZINC001101251778 801975169 /nfs/dbraw/zinc/97/51/69/801975169.db2.gz KJELKQOZZNNTKK-QAPCUYQASA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C)C(C)C)C[C@]2(C)C1 ZINC001101380507 801977904 /nfs/dbraw/zinc/97/79/04/801977904.db2.gz VYEVTVFTXPQDIZ-JZXOWHBKSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)CCC)[C@H](C)C1 ZINC001101681832 801984888 /nfs/dbraw/zinc/98/48/88/801984888.db2.gz CSSCVDWBABCEMB-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)CC2CCCC2)[C@H](C)C1 ZINC001101691013 801985639 /nfs/dbraw/zinc/98/56/39/801985639.db2.gz BTKRKKBXCTWXHH-IUODEOHRSA-N 1 1 298.858 3.003 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](CNC(=O)CCCCC)[C@H](C)C1 ZINC001101724002 801988029 /nfs/dbraw/zinc/98/80/29/801988029.db2.gz FVASRNWXDLCQCA-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](CNC(=O)CC2CCCC2)[C@H](C)C1 ZINC001101693500 801988821 /nfs/dbraw/zinc/98/88/21/801988821.db2.gz NTSVZDBHFOJCOE-NVXWUHKLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1C[N@@H+](CC(CC)CC)C[C@H]1C ZINC001101805315 801991146 /nfs/dbraw/zinc/99/11/46/801991146.db2.gz MJSPNYOSXJBUCM-GDBMZVCRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](CNC(=O)CCCC(C)(C)C)[C@H](C)C1 ZINC001101816299 801992240 /nfs/dbraw/zinc/99/22/40/801992240.db2.gz CVYZOLUFYUFIFM-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1C ZINC001102222803 802000235 /nfs/dbraw/zinc/00/02/35/802000235.db2.gz GWPCSJMAJTVODK-JLVOYYQZSA-N 1 1 298.858 3.025 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H]1C[N@@H+](CCCC)C[C@H]1C ZINC001102327477 802003836 /nfs/dbraw/zinc/00/38/36/802003836.db2.gz ZLOFMDIXIAYEDF-BFYDXBDKSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC)CCC)[C@H](C)C1 ZINC001102485234 802008527 /nfs/dbraw/zinc/00/85/27/802008527.db2.gz MCDSUYFURVWVLW-OWCLPIDISA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)C[C@H](C)C(C)(C)C)[C@H](C)C1 ZINC001102529148 802011474 /nfs/dbraw/zinc/01/14/74/802011474.db2.gz NRKOLGGKOZMDKB-OWCLPIDISA-N 1 1 294.483 3.319 20 30 CGEDMO C=CC[N@H+]1C[C@@H](CNC(=O)C2(C)CCC(C)CC2)[C@H](C)C1 ZINC001102605777 802012757 /nfs/dbraw/zinc/01/27/57/802012757.db2.gz GKYWIOSJNCBVIX-GARNVTTQSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](CCCC)C(C)C)[C@H](C)C1 ZINC001102605020 802013101 /nfs/dbraw/zinc/01/31/01/802013101.db2.gz VMWOMBDVCFBCKJ-ZACQAIPSSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C=C(C)C)C1 ZINC001102648158 802018165 /nfs/dbraw/zinc/01/81/65/802018165.db2.gz UBMQCFUYQOSVPO-BRWVUGGUSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2CCC2)C1 ZINC001102824254 802021965 /nfs/dbraw/zinc/02/19/65/802021965.db2.gz MDECBDZXOVFZCN-IUODEOHRSA-N 1 1 298.858 3.003 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)C(CC)CC)C1 ZINC001103163969 802029357 /nfs/dbraw/zinc/02/93/57/802029357.db2.gz ZLTJAMXMWXGRKP-BFYDXBDKSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CCC)C(C)C)C1 ZINC001103483996 802035887 /nfs/dbraw/zinc/03/58/87/802035887.db2.gz ZGCFQKVZAYNALF-BRWVUGGUSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@](C)(CC)CCC)C1 ZINC001103578639 802036530 /nfs/dbraw/zinc/03/65/30/802036530.db2.gz DDYKQHLIAFSMIB-NUJGCVRESA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(CNC(=O)/C(C)=C/CC)CCC[C@@H]12 ZINC001107311954 802085242 /nfs/dbraw/zinc/08/52/42/802085242.db2.gz OOCJROMSFYAQNS-VZZNNSKRSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)C/C=C(/C)C=C)CCC[C@@H]12 ZINC001107509450 802090385 /nfs/dbraw/zinc/09/03/85/802090385.db2.gz IZTIFFDXGOCUFP-QEZYIGEASA-N 1 1 288.435 3.056 20 30 CGEDMO C=CCCC1(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC)CC3)CC1 ZINC001107536757 802090420 /nfs/dbraw/zinc/09/04/20/802090420.db2.gz ZUUHBUMGLDYSAE-CRAIPNDOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C=C\C1CC1)C2 ZINC001109123104 802108665 /nfs/dbraw/zinc/10/86/65/802108665.db2.gz PUWIJIKWZVSKSN-YFMKIGBUSA-N 1 1 288.435 3.029 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C=C(\C)CC)C2 ZINC001109241120 802111927 /nfs/dbraw/zinc/11/19/27/802111927.db2.gz AQMRSLCZNUAVAQ-VQEMYYMFSA-N 1 1 276.424 3.030 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](C)CC ZINC001109350856 802114877 /nfs/dbraw/zinc/11/48/77/802114877.db2.gz GVQZEMRWTDTUMP-FZKCQIBNSA-N 1 1 278.440 3.110 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CC(C)C)CC1)C2 ZINC001109387939 802114918 /nfs/dbraw/zinc/11/49/18/802114918.db2.gz HHWSMSAMKDPBOI-PMPSAXMXSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C\Cl ZINC001109634253 802121170 /nfs/dbraw/zinc/12/11/70/802121170.db2.gz IEMWBBVHGFNQCS-BEHGEJFLSA-N 1 1 296.842 3.063 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C/C=C\Cl ZINC001109634253 802121175 /nfs/dbraw/zinc/12/11/75/802121175.db2.gz IEMWBBVHGFNQCS-BEHGEJFLSA-N 1 1 296.842 3.063 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)CC)C2 ZINC001109660806 802121201 /nfs/dbraw/zinc/12/12/01/802121201.db2.gz FZXCUYYOVYIAFR-FZKCQIBNSA-N 1 1 292.467 3.499 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)C(C)(C)C)C2 ZINC001110038813 802129127 /nfs/dbraw/zinc/12/91/27/802129127.db2.gz WPGXEKYSOMKFDT-WCVJEAGWSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](F)CCCCCC)C2 ZINC001109978507 802130318 /nfs/dbraw/zinc/13/03/18/802130318.db2.gz AJKYQAVWJMDYIV-WCVJEAGWSA-N 1 1 296.430 3.202 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(CC)CC)C2 ZINC001110127197 802131311 /nfs/dbraw/zinc/13/13/11/802131311.db2.gz AADQBWWQYGWIEW-ILXRZTDVSA-N 1 1 278.440 3.110 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)/C=C(/C)C1CC1)C2 ZINC001110339145 802139037 /nfs/dbraw/zinc/13/90/37/802139037.db2.gz XMLDUCZVKINLPA-ZIANLENQSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C=C1CCC1)C2 ZINC001110434473 802142290 /nfs/dbraw/zinc/14/22/90/802142290.db2.gz XCUFFHHBHIDTQV-SVGFKBNWSA-N 1 1 288.435 3.173 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](C)CC ZINC001110603441 802146468 /nfs/dbraw/zinc/14/64/68/802146468.db2.gz DKVDDDUHVJDMJR-FPCVCCKLSA-N 1 1 292.467 3.356 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C(=C)C)C2 ZINC001110890981 802147941 /nfs/dbraw/zinc/14/79/41/802147941.db2.gz OOLRLOVAOUHMNX-OAGGEKHMSA-N 1 1 290.451 3.276 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1 ZINC001110891922 802148566 /nfs/dbraw/zinc/14/85/66/802148566.db2.gz FQVITCGCLMHSCA-OAGGEKHMSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(=C)C ZINC001110933324 802150899 /nfs/dbraw/zinc/15/08/99/802150899.db2.gz JOVOZIUBWBTVAK-VQHPVUNQSA-N 1 1 290.451 3.276 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC(C)C)C2 ZINC001111057689 802154867 /nfs/dbraw/zinc/15/48/67/802154867.db2.gz IYXSSKHZOYFHKY-OAGGEKHMSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccccc2)C1 ZINC001111567054 802163223 /nfs/dbraw/zinc/16/32/23/802163223.db2.gz MXZRTCXAUOCGBL-HKUYNNGSSA-N 1 1 298.430 3.237 20 30 CGEDMO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@@H](C)CCC=C)C2 ZINC001111650059 802164453 /nfs/dbraw/zinc/16/44/53/802164453.db2.gz CGIOXODEALLAAL-BQFCYCMXSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCCC[NH+]1CCN(C(=O)c2occc2C(C)C)CC1 ZINC001113252259 802210404 /nfs/dbraw/zinc/21/04/04/802210404.db2.gz GFIVLLORDPLVHL-UHFFFAOYSA-N 1 1 290.407 3.127 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)[C@@H](C)[C@@H](C)C(C)(C)C)CC1 ZINC001113422473 802220002 /nfs/dbraw/zinc/22/00/02/802220002.db2.gz PLTNHMCHJRNBCW-LSDHHAIUSA-N 1 1 280.456 3.025 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCCC1 ZINC001113768056 802233767 /nfs/dbraw/zinc/23/37/67/802233767.db2.gz ZOSSXGCVYFNORG-FVQHAEBGSA-N 1 1 292.467 3.193 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CCC1 ZINC001114101739 802238619 /nfs/dbraw/zinc/23/86/19/802238619.db2.gz VDPVIFDZDRUWIU-VQFNDLOPSA-N 1 1 292.467 3.193 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](C)CC(C)C)C[C@H]21 ZINC001114353465 802241570 /nfs/dbraw/zinc/24/15/70/802241570.db2.gz SGXZKAUBLMZEGD-CBZIJGRNSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[C@H](C)CCC ZINC001114334483 802242039 /nfs/dbraw/zinc/24/20/39/802242039.db2.gz VCBOHBOUMSBGEZ-CBZIJGRNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCO[C@H]1CC[N@H+]([C@H](C)c2cc(F)ccc2F)C1 ZINC001116542349 802373886 /nfs/dbraw/zinc/37/38/86/802373886.db2.gz RNKWRGFZCASNMF-YPMHNXCESA-N 1 1 267.319 3.303 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC001116546961 802375813 /nfs/dbraw/zinc/37/58/13/802375813.db2.gz CRGRGQSVCBQCQI-KRWDZBQOSA-N 1 1 287.403 3.048 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2ccccc2OCC2CC2)C1 ZINC001116554727 802377645 /nfs/dbraw/zinc/37/76/45/802377645.db2.gz CJAPCIRXGCOTFQ-QGZVFWFLSA-N 1 1 287.403 3.252 20 30 CGEDMO CCOCC[C@H](C)[NH2+]CC(F)(F)C(F)(F)C(F)(F)F ZINC001172409629 808297545 /nfs/dbraw/zinc/29/75/45/808297545.db2.gz XYIYCRBJLFJKRS-ZETCQYMHSA-N 1 1 299.230 3.224 20 30 CGEDMO COc1ccc(CC[N@@H+](C)[C@@H](C)CCCC#N)cc1 ZINC001172502374 808356862 /nfs/dbraw/zinc/35/68/62/808356862.db2.gz VKIZIBMPUKVUTA-AWEZNQCLSA-N 1 1 260.381 3.252 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC1CCC(O)CC1 ZINC001118561417 802584011 /nfs/dbraw/zinc/58/40/11/802584011.db2.gz JPMVEHNLHZPZIG-CBCUQQMYSA-N 1 1 272.392 3.102 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccncc2Br)C1 ZINC001118825783 802607803 /nfs/dbraw/zinc/60/78/03/802607803.db2.gz AGOWZFWQWVJGKR-LBPRGKRZSA-N 1 1 293.208 3.079 20 30 CGEDMO C#CC[N@@H+](Cc1nc2cc(C)ccc2s1)CC1CC1 ZINC001118874307 802613494 /nfs/dbraw/zinc/61/34/94/802613494.db2.gz XQAXRFZJAPFFDW-UHFFFAOYSA-N 1 1 270.401 3.450 20 30 CGEDMO C#CC[N@H+](Cc1nc2cc(C)ccc2s1)CC1CC1 ZINC001118874307 802613500 /nfs/dbraw/zinc/61/35/00/802613500.db2.gz XQAXRFZJAPFFDW-UHFFFAOYSA-N 1 1 270.401 3.450 20 30 CGEDMO COc1ccc(C[C@@H](C)[N@@H+](C)CC2(CC#N)CC2)cc1 ZINC001119306783 802646518 /nfs/dbraw/zinc/64/65/18/802646518.db2.gz UOECLYYWVZGJRM-CQSZACIVSA-N 1 1 272.392 3.252 20 30 CGEDMO COc1ccc(C[C@H](C)[N@@H+](C)CC2(CC#N)CC2)cc1 ZINC001119306782 802646983 /nfs/dbraw/zinc/64/69/83/802646983.db2.gz UOECLYYWVZGJRM-AWEZNQCLSA-N 1 1 272.392 3.252 20 30 CGEDMO Cc1ccccc1C[C@H](C)[N@@H+](C)Cc1cncc(C#N)c1 ZINC001119773863 802699523 /nfs/dbraw/zinc/69/95/23/802699523.db2.gz YQYJHNUSUBGKOE-HNNXBMFYSA-N 1 1 279.387 3.325 20 30 CGEDMO Cc1ccc(F)c(C[NH+]2CCC(CC#N)CC2)c1F ZINC001119806877 802699850 /nfs/dbraw/zinc/69/98/50/802699850.db2.gz WFEKXQBIKRHXLQ-UHFFFAOYSA-N 1 1 264.319 3.399 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCCC)C1 ZINC001120321153 802739888 /nfs/dbraw/zinc/73/98/88/802739888.db2.gz WKLGRKUPOLMMHO-SJORKVTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CC)C1 ZINC001120422324 802744247 /nfs/dbraw/zinc/74/42/47/802744247.db2.gz LPYKCQOCUQKRKN-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CC)C1 ZINC001120430070 802744639 /nfs/dbraw/zinc/74/46/39/802744639.db2.gz GZINCIZXZPERRE-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO N#Cc1cc(CN[C@H]2CCC[N@H+](C3CCCC3)C2)cs1 ZINC001256905386 807007689 /nfs/dbraw/zinc/00/76/89/807007689.db2.gz PQYVGCKFZICUOW-AWEZNQCLSA-N 1 1 289.448 3.116 20 30 CGEDMO N#Cc1cc(C[NH2+][C@H]2CCCN(C3CCCC3)C2)cs1 ZINC001256905386 807007698 /nfs/dbraw/zinc/00/76/98/807007698.db2.gz PQYVGCKFZICUOW-AWEZNQCLSA-N 1 1 289.448 3.116 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccccc2)CC[C@@H]1C ZINC001131750865 803341874 /nfs/dbraw/zinc/34/18/74/803341874.db2.gz BNVSCZMBIVUWNH-RDJZCZTQSA-N 1 1 286.419 3.236 20 30 CGEDMO C=CCC[N@H+]1C[C@H](NC(=O)CCCCC)CC[C@H]1C ZINC001131816110 803348691 /nfs/dbraw/zinc/34/86/91/803348691.db2.gz CGJHJWWEPXUISZ-HUUCEWRRSA-N 1 1 266.429 3.112 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001131899947 803356375 /nfs/dbraw/zinc/35/63/75/803356375.db2.gz RGQWDKMGVXTCJH-RDJZCZTQSA-N 1 1 286.419 3.122 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC2=CCCCC2)C1 ZINC001131898749 803356411 /nfs/dbraw/zinc/35/64/11/803356411.db2.gz DMRIXLMOCXNCHO-NVXWUHKLSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCC2CCC2)CC[C@@H]1C ZINC001131943432 803360497 /nfs/dbraw/zinc/36/04/97/803360497.db2.gz PJOKLLPOPFVBQX-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=C)C)C1 ZINC001132060124 803371211 /nfs/dbraw/zinc/37/12/11/803371211.db2.gz ACNVGKVUTHIBEE-HUUCEWRRSA-N 1 1 278.440 3.134 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)C(C)(C)C(C)C)CC[C@H]1C ZINC001132065464 803371966 /nfs/dbraw/zinc/37/19/66/803371966.db2.gz USDLVRKSXYUBTC-HUUCEWRRSA-N 1 1 280.456 3.214 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)C2(CCF)CC2)CC[C@H]1C ZINC001132199808 803378740 /nfs/dbraw/zinc/37/87/40/803378740.db2.gz MSNLCZYVLRIBSP-HUUCEWRRSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2(CCF)CC2)CC[C@H]1C ZINC001132199805 803378952 /nfs/dbraw/zinc/37/89/52/803378952.db2.gz MSNLCZYVLRIBSP-CABCVRRESA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)CC2(C)CC2)CC[C@@H]1C ZINC001132195724 803378968 /nfs/dbraw/zinc/37/89/68/803378968.db2.gz UFJIOCTXVQURRN-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)C2(C)CC(=C)C2)CC[C@@H]1C ZINC001132288725 803391301 /nfs/dbraw/zinc/39/13/01/803391301.db2.gz VRNSBJBYOOXACL-HOTGVXAUSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CCC)C2)CCC1 ZINC001132282051 803392514 /nfs/dbraw/zinc/39/25/14/803392514.db2.gz HPBZGEFHEDLGFD-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](NC(=O)CCCC(C)C)CC[C@H]1C ZINC001132318330 803394649 /nfs/dbraw/zinc/39/46/49/803394649.db2.gz NHFWFHSURRRUIM-CVEARBPZSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCCC(=O)NCC[NH2+]Cc1c(F)cccc1Cl ZINC001133144942 803458039 /nfs/dbraw/zinc/45/80/39/803458039.db2.gz INKWVRLKPHPEOL-UHFFFAOYSA-N 1 1 298.789 3.041 20 30 CGEDMO CCCCCCCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001136166313 803634304 /nfs/dbraw/zinc/63/43/04/803634304.db2.gz FGIUEFTZXPZJJC-HUUCEWRRSA-N 1 1 268.445 3.193 20 30 CGEDMO N#CCC[N@@H+](Cc1ccc(OCC#N)cc1)C1CCCC1 ZINC001137119590 803685028 /nfs/dbraw/zinc/68/50/28/803685028.db2.gz XPUFHGNGYGIXAO-UHFFFAOYSA-N 1 1 283.375 3.247 20 30 CGEDMO C[N@@H+](Cc1c[nH]c2ncccc12)Cc1cccc(C#N)c1 ZINC001137405657 803730869 /nfs/dbraw/zinc/73/08/69/803730869.db2.gz KYQVHXVOYKGWFM-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1cncnc1 ZINC001137668129 803754352 /nfs/dbraw/zinc/75/43/52/803754352.db2.gz XUTVWJGLIHYAQL-UHFFFAOYSA-N 1 1 253.349 3.055 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(N(C)c2ccc(C#N)cc2)cc1 ZINC001137902868 803798345 /nfs/dbraw/zinc/79/83/45/803798345.db2.gz VRDRFXJCZONYPZ-UHFFFAOYSA-N 1 1 289.382 3.391 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC001138156703 803868322 /nfs/dbraw/zinc/86/83/22/803868322.db2.gz WUNQGPGHMUHCBG-LBPRGKRZSA-N 1 1 286.404 3.264 20 30 CGEDMO CN1CCCc2cc(C[N@H+]3CCC[C@H](C#N)CC3)ccc21 ZINC001138356322 803900035 /nfs/dbraw/zinc/90/00/35/803900035.db2.gz KVEAXTZBLLUDOE-HNNXBMFYSA-N 1 1 283.419 3.195 20 30 CGEDMO COc1cccc(F)c1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001138385280 803911014 /nfs/dbraw/zinc/91/10/14/803911014.db2.gz LCXYIOXPBVHXRI-XYYAHUGASA-N 1 1 274.339 3.101 20 30 CGEDMO COc1cccc(F)c1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001138385280 803911018 /nfs/dbraw/zinc/91/10/18/803911018.db2.gz LCXYIOXPBVHXRI-XYYAHUGASA-N 1 1 274.339 3.101 20 30 CGEDMO CN(C)c1ccc(C[N@@H+](CCC#N)C2CCCC2)s1 ZINC001138490715 803950808 /nfs/dbraw/zinc/95/08/08/803950808.db2.gz DXPPTILOBKQHCC-UHFFFAOYSA-N 1 1 277.437 3.472 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC23CCCC3)cc1 ZINC001138556390 803966353 /nfs/dbraw/zinc/96/63/53/803966353.db2.gz SYLBSPMDFMGYJL-UHFFFAOYSA-N 1 1 255.361 3.217 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2C)cc1 ZINC001138558831 803968602 /nfs/dbraw/zinc/96/86/02/803968602.db2.gz JQHQPHDODZGBPV-LSDHHAIUSA-N 1 1 257.377 3.319 20 30 CGEDMO C#CCOc1ccc(C[N@H+](CC)Cc2cccnc2)cc1 ZINC001138559089 803969225 /nfs/dbraw/zinc/96/92/25/803969225.db2.gz OTBKPMAQCRRBRD-UHFFFAOYSA-N 1 1 280.371 3.116 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)c1O ZINC001138625439 803982837 /nfs/dbraw/zinc/98/28/37/803982837.db2.gz KXFBYLSNVNTLIY-WMLDXEAASA-N 1 1 287.403 3.122 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2CCC[C@H](OCC)C2)c1O ZINC001138629150 803984530 /nfs/dbraw/zinc/98/45/30/803984530.db2.gz PZLAOYFGAKPJRG-INIZCTEOSA-N 1 1 275.392 3.122 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC001138664928 803997892 /nfs/dbraw/zinc/99/78/92/803997892.db2.gz AUYGBQOTDFTARS-AEFFLSMTSA-N 1 1 287.403 3.252 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)C2=O ZINC001138665893 804000391 /nfs/dbraw/zinc/00/03/91/804000391.db2.gz ZTJKTWPCVXVJAS-IYBDPMFKSA-N 1 1 285.387 3.052 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+](C)[C@@H]1CCCOC1 ZINC001138666019 804000423 /nfs/dbraw/zinc/00/04/23/804000423.db2.gz FNUUKKDWWXKCBN-MRXNPFEDSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccc(S(=O)(=O)CC)cc1 ZINC001138815497 804046416 /nfs/dbraw/zinc/04/64/16/804046416.db2.gz IEVOBLHNIIDSAA-UHFFFAOYSA-N 1 1 295.448 3.268 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc2c(c1)c1ccccc1n2C ZINC001138918274 804071132 /nfs/dbraw/zinc/07/11/32/804071132.db2.gz AFJAKEPOQIZJHS-UHFFFAOYSA-N 1 1 262.356 3.397 20 30 CGEDMO C#CC[N@@H+](C)Cc1cc(Cl)ccc1OC(C)C ZINC001138958422 804087631 /nfs/dbraw/zinc/08/76/31/804087631.db2.gz DWRTYCZSQWUJEY-UHFFFAOYSA-N 1 1 251.757 3.192 20 30 CGEDMO C#CC[N@H+](C)Cc1cc(Cl)ccc1OC(C)C ZINC001138958422 804087642 /nfs/dbraw/zinc/08/76/42/804087642.db2.gz DWRTYCZSQWUJEY-UHFFFAOYSA-N 1 1 251.757 3.192 20 30 CGEDMO CCCCCCCCCC[C@H](O)CN[C@H]1C[C@H]([NH2+]C)C1 ZINC001246006127 804098089 /nfs/dbraw/zinc/09/80/89/804098089.db2.gz ATARRQFRTPUOSM-ULQDDVLXSA-N 1 1 284.488 3.218 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001139029013 804112745 /nfs/dbraw/zinc/11/27/45/804112745.db2.gz NGUZUXWIEHEVAS-MAUKXSAKSA-N 1 1 287.403 3.252 20 30 CGEDMO CCCCCCCC[C@H](CC)[NH2+]C1(CO)CCNCC1 ZINC001246116960 804148270 /nfs/dbraw/zinc/14/82/70/804148270.db2.gz HDTIPSBHMCSDQO-INIZCTEOSA-N 1 1 284.488 3.220 20 30 CGEDMO CCCCCCCC[C@@H](CC)[NH2+][C@H]1CNC[C@H]1F ZINC001246130361 804156182 /nfs/dbraw/zinc/15/61/82/804156182.db2.gz ZTNPXVPYQJNPKJ-KFWWJZLASA-N 1 1 258.425 3.415 20 30 CGEDMO CCCCCCC[C@H](CC)N[C@H]1C[NH2+]CC12CC2 ZINC001246136716 804160602 /nfs/dbraw/zinc/16/06/02/804160602.db2.gz XRJZBVLTIBGRAX-GJZGRUSLSA-N 1 1 252.446 3.467 20 30 CGEDMO CC[N@H+](CCC#N)Cc1ccc2cc(O)ccc2c1 ZINC001139337872 804174914 /nfs/dbraw/zinc/17/49/14/804174914.db2.gz IKIMILARBJEBLT-UHFFFAOYSA-N 1 1 254.333 3.281 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1ccc2cc(O)ccc2c1 ZINC001139337872 804174917 /nfs/dbraw/zinc/17/49/17/804174917.db2.gz IKIMILARBJEBLT-UHFFFAOYSA-N 1 1 254.333 3.281 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)nc2)CC1 ZINC001139344640 804179837 /nfs/dbraw/zinc/17/98/37/804179837.db2.gz IGSXOBDAYFGISA-MRXNPFEDSA-N 1 1 298.434 3.198 20 30 CGEDMO C=CC[N@H+](Cc1ccc(C(=O)OC)cn1)C1CCCCC1 ZINC001139496143 804195948 /nfs/dbraw/zinc/19/59/48/804195948.db2.gz HITUPUMCKZNCDA-UHFFFAOYSA-N 1 1 288.391 3.189 20 30 CGEDMO CCCCCCC[C@H](CC(C)C)[NH2+]C[C@]1(O)CCCNC1 ZINC001246225186 804218701 /nfs/dbraw/zinc/21/87/01/804218701.db2.gz BACSOXQRDSEZTL-MSOLQXFVSA-N 1 1 298.515 3.466 20 30 CGEDMO CCOc1ccc(C[N@H+](CC)CCC#N)cc1CC ZINC001139624373 804235459 /nfs/dbraw/zinc/23/54/59/804235459.db2.gz YEGNNXSNGBUSOX-UHFFFAOYSA-N 1 1 260.381 3.383 20 30 CGEDMO CCOc1ccc(C[N@@H+](CC)CCC#N)cc1CC ZINC001139624373 804235467 /nfs/dbraw/zinc/23/54/67/804235467.db2.gz YEGNNXSNGBUSOX-UHFFFAOYSA-N 1 1 260.381 3.383 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)c1 ZINC001139646286 804241520 /nfs/dbraw/zinc/24/15/20/804241520.db2.gz NPWADCICENCQTQ-KBPBESRZSA-N 1 1 258.340 3.319 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2c[nH]c3c2cccc3C#N)[C@@H](C)C1 ZINC001139707760 804260466 /nfs/dbraw/zinc/26/04/66/804260466.db2.gz RKQLMCFLUIPRBI-WFASDCNBSA-N 1 1 283.375 3.039 20 30 CGEDMO CCN(CC)CC[N@H+](CC)Cc1c[nH]c2c1cccc2C#N ZINC001139703889 804260578 /nfs/dbraw/zinc/26/05/78/804260578.db2.gz XARBJLXNKKWNQJ-UHFFFAOYSA-N 1 1 298.434 3.203 20 30 CGEDMO CCN(CC)CC[N@@H+](CC)Cc1c[nH]c2c1cccc2C#N ZINC001139703889 804260584 /nfs/dbraw/zinc/26/05/84/804260584.db2.gz XARBJLXNKKWNQJ-UHFFFAOYSA-N 1 1 298.434 3.203 20 30 CGEDMO N#Cc1cccc2c(C[N@H+]3CC[C@H]4CCCO[C@H]4C3)c[nH]c21 ZINC001139704472 804260892 /nfs/dbraw/zinc/26/08/92/804260892.db2.gz VVIYQKDFEMOOMF-DYVFJYSZSA-N 1 1 295.386 3.040 20 30 CGEDMO C[N@H+](Cc1cncs1)Cc1c[nH]c2c1cccc2C#N ZINC001139707263 804261053 /nfs/dbraw/zinc/26/10/53/804261053.db2.gz VEMYLQAYLKSJTA-UHFFFAOYSA-N 1 1 282.372 3.128 20 30 CGEDMO C[N@@H+](Cc1cncs1)Cc1c[nH]c2c1cccc2C#N ZINC001139707263 804261063 /nfs/dbraw/zinc/26/10/63/804261063.db2.gz VEMYLQAYLKSJTA-UHFFFAOYSA-N 1 1 282.372 3.128 20 30 CGEDMO C=CCn1cc(C[N@H+]2CC[C@@H](C3CCCCC3)C2)cn1 ZINC001139772423 804278832 /nfs/dbraw/zinc/27/88/32/804278832.db2.gz JLEXCYQUMRGXQW-QGZVFWFLSA-N 1 1 273.424 3.471 20 30 CGEDMO C=CC[N@H+](C)Cc1cnc(-c2ccc(OC)cc2)s1 ZINC001139791993 804279538 /nfs/dbraw/zinc/27/95/38/804279538.db2.gz ZKWJNBZROMLPJV-UHFFFAOYSA-N 1 1 274.389 3.437 20 30 CGEDMO C=CCn1cc(C[N@H+](C)[C@@H]2CCc3ccccc32)cn1 ZINC001139774381 804279716 /nfs/dbraw/zinc/27/97/16/804279716.db2.gz FBDVLJUXWBSYOO-QGZVFWFLSA-N 1 1 267.376 3.188 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(F)c(CC)c2)no1 ZINC001212325344 815005328 /nfs/dbraw/zinc/00/53/28/815005328.db2.gz PHVRFTQIQBSZCM-AWEZNQCLSA-N 1 1 287.338 3.241 20 30 CGEDMO COCc1ccc(C[N@H+]2CCC[C@H](C#N)CC2)s1 ZINC001139828704 804293059 /nfs/dbraw/zinc/29/30/59/804293059.db2.gz SEVIRBFYVDAUMG-LBPRGKRZSA-N 1 1 264.394 3.020 20 30 CGEDMO N#Cc1cc(F)cc(C[N@H+]2CC[C@@H](c3ccccn3)C2)c1 ZINC001139875154 804306529 /nfs/dbraw/zinc/30/65/29/804306529.db2.gz IPJBNGBGMAFCGR-OAHLLOKOSA-N 1 1 281.334 3.082 20 30 CGEDMO COC(C)(C)[C@H]1CCC[N@H+]1Cc1cc(F)cc(C#N)c1 ZINC001139875657 804308910 /nfs/dbraw/zinc/30/89/10/804308910.db2.gz YOLCDXAJAWLVBE-OAHLLOKOSA-N 1 1 276.355 3.087 20 30 CGEDMO C[N@H+](Cc1cc(F)cc(C#N)c1)Cc1cccc2c1OCO2 ZINC001139879747 804309217 /nfs/dbraw/zinc/30/92/17/804309217.db2.gz QPHHOXQQRFREKM-UHFFFAOYSA-N 1 1 298.317 3.058 20 30 CGEDMO C[N@@H+](Cc1cc(F)cc(C#N)c1)Cc1cccc2c1OCO2 ZINC001139879747 804309227 /nfs/dbraw/zinc/30/92/27/804309227.db2.gz QPHHOXQQRFREKM-UHFFFAOYSA-N 1 1 298.317 3.058 20 30 CGEDMO C=CC[N@H+](Cc1ccc2cnn(C)c2c1)C(C)(C)C ZINC001139911104 804326727 /nfs/dbraw/zinc/32/67/27/804326727.db2.gz IUDOWYHXHCMRAS-UHFFFAOYSA-N 1 1 257.381 3.360 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2ccccc2-c2cncnc2)CC1 ZINC001140022143 804351653 /nfs/dbraw/zinc/35/16/53/804351653.db2.gz IEFGOMLHPPMUOK-HNNXBMFYSA-N 1 1 292.386 3.269 20 30 CGEDMO COc1c(Cl)cccc1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001140067486 804366784 /nfs/dbraw/zinc/36/67/84/804366784.db2.gz KTDKZIFCZFSJIE-GFCCVEGCSA-N 1 1 278.783 3.474 20 30 CGEDMO COc1c(Cl)cccc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001140067486 804366788 /nfs/dbraw/zinc/36/67/88/804366788.db2.gz KTDKZIFCZFSJIE-GFCCVEGCSA-N 1 1 278.783 3.474 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)CCC[C@]1(C)O ZINC001140110323 804379426 /nfs/dbraw/zinc/37/94/26/804379426.db2.gz IQLRLSFMEFINAQ-UGSOOPFHSA-N 1 1 297.402 3.022 20 30 CGEDMO CC[N@@H+](Cc1ccccc1O)Cc1ccc(C#N)cc1F ZINC001140139669 804386800 /nfs/dbraw/zinc/38/68/00/804386800.db2.gz AZEIQPMIOKWLJA-UHFFFAOYSA-N 1 1 284.334 3.425 20 30 CGEDMO CCCCCCCC[C@H](CC)[N@@H+](C)C[C@H]1CNCCO1 ZINC001246551163 804400212 /nfs/dbraw/zinc/40/02/12/804400212.db2.gz PFOCOLVSGVLFMD-DLBZAZTESA-N 1 1 284.488 3.436 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CC[C@@](N)(C(F)(F)F)C3)C[C@H](C1)C2 ZINC001246565046 804414378 /nfs/dbraw/zinc/41/43/78/804414378.db2.gz AOEAJAKBFVMWEC-PIGZVRMJSA-N 1 1 288.357 3.087 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1ccc(Cl)cc1O ZINC001140466631 804444054 /nfs/dbraw/zinc/44/40/54/804444054.db2.gz ITTIOTUXNHUREN-UHFFFAOYSA-N 1 1 252.745 3.171 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1ccc(Cl)cc1O ZINC001140466631 804444057 /nfs/dbraw/zinc/44/40/57/804444057.db2.gz ITTIOTUXNHUREN-UHFFFAOYSA-N 1 1 252.745 3.171 20 30 CGEDMO N#Cc1ccc(C2CCC([N@@H+]3CCNCC34CC4)CC2)cc1 ZINC001246623196 804455851 /nfs/dbraw/zinc/45/58/51/804455851.db2.gz JROHPOLIAMTYFC-UHFFFAOYSA-N 1 1 295.430 3.022 20 30 CGEDMO N#Cc1ccc(C2CCC([N@H+]3CCNCC34CC4)CC2)cc1 ZINC001246623196 804455857 /nfs/dbraw/zinc/45/58/57/804455857.db2.gz JROHPOLIAMTYFC-UHFFFAOYSA-N 1 1 295.430 3.022 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)cn1 ZINC001140545620 804457828 /nfs/dbraw/zinc/45/78/28/804457828.db2.gz GZTWRAOVDDAIIK-OAHLLOKOSA-N 1 1 281.334 3.082 20 30 CGEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1ccc(C#N)nc1 ZINC001140546847 804458223 /nfs/dbraw/zinc/45/82/23/804458223.db2.gz WTUNWZLVIWXFLX-CQSZACIVSA-N 1 1 295.386 3.025 20 30 CGEDMO N#Cc1ccc(-c2ccccc2Nc2ccc[nH+]c2N)nc1 ZINC001212410656 815021457 /nfs/dbraw/zinc/02/14/57/815021457.db2.gz OJAXEUHZUSZJAB-UHFFFAOYSA-N 1 1 287.326 3.341 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccc2ncn(C)c2c1 ZINC001140740586 804501431 /nfs/dbraw/zinc/50/14/31/804501431.db2.gz RICIPCQYSMFVQI-UHFFFAOYSA-N 1 1 257.381 3.361 20 30 CGEDMO N#Cc1c(F)cc(C[NH+]2CCC(C(F)F)CC2)cc1F ZINC001140754732 804506866 /nfs/dbraw/zinc/50/68/66/804506866.db2.gz JRLKXBHZNYDLNX-UHFFFAOYSA-N 1 1 286.272 3.314 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cc(F)c(C#N)c(F)c2)C2(CC2)C1 ZINC001140757302 804506946 /nfs/dbraw/zinc/50/69/46/804506946.db2.gz YBDAGQSPYIIYQQ-SNVBAGLBSA-N 1 1 262.303 3.211 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2Cl)CC[C@]1(C)O ZINC001140808253 804525664 /nfs/dbraw/zinc/52/56/64/804525664.db2.gz NORONLKCQBYPPI-WBMJQRKESA-N 1 1 292.810 3.195 20 30 CGEDMO N#CC1CCC([N@H+]2CC[C@H](OCc3ccccc3)C2)CC1 ZINC001256968754 807018952 /nfs/dbraw/zinc/01/89/52/807018952.db2.gz LWIAOUGJIWIURJ-VJFUWPCTSA-N 1 1 284.403 3.360 20 30 CGEDMO N#CC1CCC([N@H+]2CCC[C@@H]2c2cccnc2)CC1 ZINC001256965537 807019086 /nfs/dbraw/zinc/01/90/86/807019086.db2.gz VWBUAULLRCFPPK-AVVWSFFYSA-N 1 1 255.365 3.301 20 30 CGEDMO C[C@@H]1CN(Cc2ccccc2)CC[N@H+]1C1CCC(C#N)CC1 ZINC001256968449 807019349 /nfs/dbraw/zinc/01/93/49/807019349.db2.gz FYRHDDOBZAOFIO-LRYGQEGESA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@H]1C[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)[C@@H](C)CN1 ZINC001246869726 804571019 /nfs/dbraw/zinc/57/10/19/804571019.db2.gz IRHZCYAKCXYGQV-GKVPXEHWSA-N 1 1 297.446 3.267 20 30 CGEDMO C[C@H]1CN(C2CCC(c3ccc(C#N)cc3)CC2)[C@@H](C)C[NH2+]1 ZINC001246869726 804571024 /nfs/dbraw/zinc/57/10/24/804571024.db2.gz IRHZCYAKCXYGQV-GKVPXEHWSA-N 1 1 297.446 3.267 20 30 CGEDMO CCCCCCC[C@@H](CC(C)C)[N@H+]1CCN[C@@H](CCO)C1 ZINC001246876294 804575192 /nfs/dbraw/zinc/57/51/92/804575192.db2.gz RHVGXXCTDXPYKG-ROUUACIJSA-N 1 1 298.515 3.418 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC001141155447 804600612 /nfs/dbraw/zinc/60/06/12/804600612.db2.gz VWFHFSZMTXSIPE-LLVKDONJSA-N 1 1 294.301 3.134 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CCNC[C@H]3CCC)C[C@H](C1)C2 ZINC001246928931 804605782 /nfs/dbraw/zinc/60/57/82/804605782.db2.gz PFWUBJOQGVTWFV-LVYZTWJOSA-N 1 1 262.441 3.195 20 30 CGEDMO C[NH2+]C[C@H]1CCCN1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246937973 804609070 /nfs/dbraw/zinc/60/90/70/804609070.db2.gz KUCCHPCTRSJQPF-CTWPCTMYSA-N 1 1 297.446 3.268 20 30 CGEDMO C[C@H]1CN(C2CCC(c3ccc(C#N)cc3)CC2)C[C@H](C)[NH2+]1 ZINC001246943611 804612127 /nfs/dbraw/zinc/61/21/27/804612127.db2.gz MOTHGOKMXXOMIP-GKVPXEHWSA-N 1 1 297.446 3.267 20 30 CGEDMO C#CC[NH+](CC#C)Cc1cccc(-c2ccsc2)c1 ZINC001141386651 804637256 /nfs/dbraw/zinc/63/72/56/804637256.db2.gz QFYGHUKJSAISIK-UHFFFAOYSA-N 1 1 265.381 3.484 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2coc3ccc(F)cc23)C1 ZINC001141854646 804674293 /nfs/dbraw/zinc/67/42/93/804674293.db2.gz KGKPGMNQMWFJQO-LBPRGKRZSA-N 1 1 257.308 3.417 20 30 CGEDMO CSc1nc(C[NH+]2CC3(C2)CCCC3)ccc1C#N ZINC001141932313 804680202 /nfs/dbraw/zinc/68/02/02/804680202.db2.gz XKRXFAGPZLQXRQ-UHFFFAOYSA-N 1 1 273.405 3.051 20 30 CGEDMO CSc1nc(C[N@H+]2CCC[C@H](C)CC2)ccc1C#N ZINC001141932100 804680675 /nfs/dbraw/zinc/68/06/75/804680675.db2.gz SSKHFPHWCBGIDE-LBPRGKRZSA-N 1 1 275.421 3.297 20 30 CGEDMO CSc1nc(C[N@@H+](C)C2CCCC2)ccc1C#N ZINC001141939928 804680777 /nfs/dbraw/zinc/68/07/77/804680777.db2.gz WUFBIWPUSZUSSO-UHFFFAOYSA-N 1 1 261.394 3.050 20 30 CGEDMO CSc1nc(C[N@H+](C)Cc2ccccc2)ccc1C#N ZINC001141928904 804680784 /nfs/dbraw/zinc/68/07/84/804680784.db2.gz CKVKAJBWYAYAHJ-UHFFFAOYSA-N 1 1 283.400 3.307 20 30 CGEDMO CSc1nc(C[N@@H+](C)Cc2ccccc2)ccc1C#N ZINC001141928904 804680786 /nfs/dbraw/zinc/68/07/86/804680786.db2.gz CKVKAJBWYAYAHJ-UHFFFAOYSA-N 1 1 283.400 3.307 20 30 CGEDMO Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001142178073 804700865 /nfs/dbraw/zinc/70/08/65/804700865.db2.gz AXNYGQZHMJZWID-HNNXBMFYSA-N 1 1 288.439 3.381 20 30 CGEDMO Cc1cc(-c2noc([C@@H]3CC4CC[NH+]3CC4)n2)ccc1C#N ZINC001247370971 804708670 /nfs/dbraw/zinc/70/86/70/804708670.db2.gz GRLRAKWHCVFFNQ-HNNXBMFYSA-N 1 1 294.358 3.074 20 30 CGEDMO Cc1cc(-c2noc([C@H]3CC4CC[NH+]3CC4)n2)ccc1C#N ZINC001247370972 804708782 /nfs/dbraw/zinc/70/87/82/804708782.db2.gz GRLRAKWHCVFFNQ-OAHLLOKOSA-N 1 1 294.358 3.074 20 30 CGEDMO C=CCOc1ccc(-c2noc([C@H]([NH3+])C(C)C)n2)c(F)c1 ZINC001247499215 804751885 /nfs/dbraw/zinc/75/18/85/804751885.db2.gz CSDPCKXJPURAND-CYBMUJFWSA-N 1 1 291.326 3.096 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2cc(Cl)ccc2OC)no1 ZINC001247622211 804783008 /nfs/dbraw/zinc/78/30/08/804783008.db2.gz IJPJBNFYOFXUAD-NSHDSACASA-N 1 1 293.754 3.365 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cccc(F)c2C)no1 ZINC001247622070 804783022 /nfs/dbraw/zinc/78/30/22/804783022.db2.gz FAPRTPFQWVMFET-GFCCVEGCSA-N 1 1 261.300 3.150 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)CCC[C@@]1(C)O ZINC001142912218 804783575 /nfs/dbraw/zinc/78/35/75/804783575.db2.gz YLSBQHXTXCYLJH-FZKQIMNGSA-N 1 1 297.402 3.022 20 30 CGEDMO C[C@]1(CF)CC[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)C1 ZINC001142911879 804783881 /nfs/dbraw/zinc/78/38/81/804783881.db2.gz MRYSWNDUPDBLCC-MRXNPFEDSA-N 1 1 271.339 3.221 20 30 CGEDMO N#Cc1ccc2c(C[N@@H+]3CC[C@]4(CC4(F)F)C3)c[nH]c2c1 ZINC001142921154 804784927 /nfs/dbraw/zinc/78/49/27/804784927.db2.gz JEFZRQYEXZVBML-HNNXBMFYSA-N 1 1 287.313 3.271 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2cccc3ccncc32)no1 ZINC001247623050 804784969 /nfs/dbraw/zinc/78/49/69/804784969.db2.gz WGSPNFIAVPOZDT-AWEZNQCLSA-N 1 1 280.331 3.251 20 30 CGEDMO COc1cc(C)c(C[N@H+]2CCC[C@H](C#N)CC2)c(C)c1 ZINC001142934943 804788260 /nfs/dbraw/zinc/78/82/60/804788260.db2.gz IMLDUEMOJULMJV-HNNXBMFYSA-N 1 1 272.392 3.438 20 30 CGEDMO C[C@@H]1CC[N@H+](Cc2c(F)ccc(C#N)c2F)[C@@H](C)C1 ZINC001143172686 804813730 /nfs/dbraw/zinc/81/37/30/804813730.db2.gz BPECVTSMCBDPPQ-MNOVXSKESA-N 1 1 264.319 3.457 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2c(F)ccc(C#N)c2F)[C@@H](C)C1 ZINC001143172686 804813737 /nfs/dbraw/zinc/81/37/37/804813737.db2.gz BPECVTSMCBDPPQ-MNOVXSKESA-N 1 1 264.319 3.457 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2ccc3sc(C)nc3c2)no1 ZINC001247967445 804858905 /nfs/dbraw/zinc/85/89/05/804858905.db2.gz MHFDQEGYEFWEDW-JTQLQIEISA-N 1 1 286.360 3.231 20 30 CGEDMO Cc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)cc(F)c1F ZINC001143607578 804874869 /nfs/dbraw/zinc/87/48/69/804874869.db2.gz RSVBEEPFJCCATH-GFCCVEGCSA-N 1 1 264.319 3.399 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@H](CC#N)C2)cc(F)c1F ZINC001143607578 804874875 /nfs/dbraw/zinc/87/48/75/804874875.db2.gz RSVBEEPFJCCATH-GFCCVEGCSA-N 1 1 264.319 3.399 20 30 CGEDMO N#Cc1ccc(C2CCC([N@H+]3CCOC4(CC4)C3)CC2)cc1 ZINC001257022163 807029645 /nfs/dbraw/zinc/02/96/45/807029645.db2.gz HNKIOJRFZHTTHA-UHFFFAOYSA-N 1 1 296.414 3.449 20 30 CGEDMO C[N@@H+]([C@H]1CCOC1)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257021510 807029658 /nfs/dbraw/zinc/02/96/58/807029658.db2.gz VHWXNGPAFCQRSM-ABHNRTSZSA-N 1 1 284.403 3.305 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](F)CC1 ZINC001248748694 804982476 /nfs/dbraw/zinc/98/24/76/804982476.db2.gz SIWPNUMWPHKYSO-MRXNPFEDSA-N 1 1 260.356 3.445 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)CCc2ccc(OC)cc2)cc1 ZINC001144576139 805008430 /nfs/dbraw/zinc/00/84/30/805008430.db2.gz BZPBATLNWYICHQ-UHFFFAOYSA-N 1 1 279.383 3.351 20 30 CGEDMO CC(C)(C)c1ccc(-c2noc([C@@H]([NH3+])C3CC3)n2)c(C#N)c1 ZINC001249229832 805116546 /nfs/dbraw/zinc/11/65/46/805116546.db2.gz QJQBYDHVFPIDFP-AWEZNQCLSA-N 1 1 296.374 3.316 20 30 CGEDMO N#Cc1ccc2cc(C[N@H+]3C[C@H]4CC[C@@H]3C4)[nH]c2c1 ZINC001249429636 805147867 /nfs/dbraw/zinc/14/78/67/805147867.db2.gz KCSXWVBKQQYNDA-SWLSCSKDSA-N 1 1 251.333 3.024 20 30 CGEDMO N#Cc1ccc(Nc2cc[nH+]cc2C(F)(F)F)c(F)c1F ZINC001249592320 805184619 /nfs/dbraw/zinc/18/46/19/805184619.db2.gz BGWPBFZSBYCXCH-UHFFFAOYSA-N 1 1 299.202 3.416 20 30 CGEDMO C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@H](CC)CC(C)C)C2)C1 ZINC001148563493 805196181 /nfs/dbraw/zinc/19/61/81/805196181.db2.gz VZRCDHWRWKUXMF-MRXNPFEDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)C[C@@H](C)C(C)(C)C)C2)C1 ZINC001148679317 805204204 /nfs/dbraw/zinc/20/42/04/805204204.db2.gz YEGNEQLAIDKMNG-OAHLLOKOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)CCCCCC)C2)C1 ZINC001148708182 805205609 /nfs/dbraw/zinc/20/56/09/805205609.db2.gz RCNQGPLLWVFYTP-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1F)C[C@H]1Cc2ccccc2O1 ZINC001249692632 805214898 /nfs/dbraw/zinc/21/48/98/805214898.db2.gz AAHVWJQSEFBXIX-MRXNPFEDSA-N 1 1 296.345 3.133 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1F)C[C@H]1Cc2ccccc2O1 ZINC001249692632 805214906 /nfs/dbraw/zinc/21/49/06/805214906.db2.gz AAHVWJQSEFBXIX-MRXNPFEDSA-N 1 1 296.345 3.133 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)/C(C)=C/CC ZINC001152160066 805336984 /nfs/dbraw/zinc/33/69/84/805336984.db2.gz PMEIGFMULBITJZ-ATGUSINASA-N 1 1 266.429 3.136 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)C1(C)CCCCCC1 ZINC001153854622 805419181 /nfs/dbraw/zinc/41/91/81/805419181.db2.gz MEZKKQBBYCHIHA-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC12CC2 ZINC001154015829 805427599 /nfs/dbraw/zinc/42/75/99/805427599.db2.gz WAVQQJNRMOFFSX-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC12CC2 ZINC001154015831 805427715 /nfs/dbraw/zinc/42/77/15/805427715.db2.gz WAVQQJNRMOFFSX-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCCCCCC(=O)NC[C@@H](C)[N@@H+](CC)CC1CCC1 ZINC001154609525 805467161 /nfs/dbraw/zinc/46/71/61/805467161.db2.gz KVZRKUJGFFFUIW-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1ccsc1 ZINC001154605773 805467763 /nfs/dbraw/zinc/46/77/63/805467763.db2.gz QMFACHJDHHEIMD-CYBMUJFWSA-N 1 1 294.464 3.287 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)CCC(C)C ZINC001154750793 805482776 /nfs/dbraw/zinc/48/27/76/805482776.db2.gz APLXUKOOIVOSDY-JKSUJKDBSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1ccoc1C1CC1 ZINC001154865053 805500818 /nfs/dbraw/zinc/50/08/18/805500818.db2.gz IMZANSPZMCEXQS-CYBMUJFWSA-N 1 1 290.407 3.173 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1ccccc1CC ZINC001154888319 805504682 /nfs/dbraw/zinc/50/46/82/805504682.db2.gz PDZYOAIOKZRQPT-OAHLLOKOSA-N 1 1 288.435 3.265 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)c1occc1Cl ZINC001155073172 805534861 /nfs/dbraw/zinc/53/48/61/805534861.db2.gz RVSKDXRIYBVBTB-GFCCVEGCSA-N 1 1 298.814 3.339 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H](C)[N@H+](CC)CCCC ZINC001155072724 805535581 /nfs/dbraw/zinc/53/55/81/805535581.db2.gz JVIKWNZKNVTAFM-ZBFHGGJFSA-N 1 1 268.445 3.215 20 30 CGEDMO N#Cc1ccc(C2CCC([N@@H+]3CCC[C@H]3CN)CC2)cc1 ZINC001257009980 807025747 /nfs/dbraw/zinc/02/57/47/807025747.db2.gz AKAPZMPXDSFTOI-ABHNRTSZSA-N 1 1 283.419 3.008 20 30 CGEDMO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](C(CC)CC)CCO2 ZINC001257298302 807092138 /nfs/dbraw/zinc/09/21/38/807092138.db2.gz JBHMLMSGQWNCEI-NVXWUHKLSA-N 1 1 281.440 3.249 20 30 CGEDMO C=CCN1C(=O)CC[C@@]12CCC[N@H+]([C@H](C)CCC)CC2 ZINC001257322143 807107019 /nfs/dbraw/zinc/10/70/19/807107019.db2.gz QJJCLXLOROIUEY-NVXWUHKLSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001257349316 807116989 /nfs/dbraw/zinc/11/69/89/807116989.db2.gz JQWVTGGCXZRBER-QGZVFWFLSA-N 1 1 292.423 3.040 20 30 CGEDMO N#Cc1cccc([C@H](O)C[N@H+]2CCC[C@H]2c2ccsc2)c1 ZINC001167023865 807131381 /nfs/dbraw/zinc/13/13/81/807131381.db2.gz MGZKZSDNWAJMRG-DLBZAZTESA-N 1 1 298.411 3.490 20 30 CGEDMO CC[C@H](C)[NH2+]CC(F)(F)C(F)(F)C(F)(F)F ZINC001257427467 807150652 /nfs/dbraw/zinc/15/06/52/807150652.db2.gz JQWSRABBZKDTFT-YFKPBYRVSA-N 1 1 255.177 3.207 20 30 CGEDMO C=CC[C@H]([NH2+][C@@H](C)CC[C@@H](C)CCC)C(=O)OC ZINC001257472107 807172805 /nfs/dbraw/zinc/17/28/05/807172805.db2.gz QOZXHYFFDFNPJQ-IHRRRGAJSA-N 1 1 255.402 3.299 20 30 CGEDMO C=CCN1CC[C@@]2(CCC[N@H+]([C@@H](C)CCCCC)C2)C1=O ZINC001257513009 807188318 /nfs/dbraw/zinc/18/83/18/807188318.db2.gz QXYYEKBYNMCSQB-FUHWJXTLSA-N 1 1 292.467 3.456 20 30 CGEDMO CCCCCCCCCC[C@H](C)[N@H+]1C[C@H](O)[C@@H](CO)C1 ZINC001257550688 807196545 /nfs/dbraw/zinc/19/65/45/807196545.db2.gz QUZOKOIVJNKTMP-BBWFWOEESA-N 1 1 285.472 3.191 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)Cc1ccc(Br)cc1 ZINC001257563941 807198536 /nfs/dbraw/zinc/19/85/36/807198536.db2.gz IUJYBJXBALDKPM-NSHDSACASA-N 1 1 268.198 3.498 20 30 CGEDMO CCCC[N@H+](CC#N)C1CCC(OC(C)C)CC1 ZINC001257882975 807236012 /nfs/dbraw/zinc/23/60/12/807236012.db2.gz JTXVWYHWOAAUFD-UHFFFAOYSA-N 1 1 252.402 3.348 20 30 CGEDMO CCCC[N@@H+](CC#N)C1CCC(OC(C)C)CC1 ZINC001257882975 807236019 /nfs/dbraw/zinc/23/60/19/807236019.db2.gz JTXVWYHWOAAUFD-UHFFFAOYSA-N 1 1 252.402 3.348 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CCOC[C@@H]3C(C)C)C[C@H](C1)C2 ZINC001257893997 807243977 /nfs/dbraw/zinc/24/39/77/807243977.db2.gz HVVMRTXQPQYZNO-FCLJQHQZSA-N 1 1 263.425 3.478 20 30 CGEDMO C=CCCCC[N@@H+](C)C1CCN(CC(C)C)CC1 ZINC001258017742 807266362 /nfs/dbraw/zinc/26/63/62/807266362.db2.gz NPOKVDQOGZAHNT-UHFFFAOYSA-N 1 1 252.446 3.395 20 30 CGEDMO C=CCCCC[N@H+](C)C1CCN(CC(C)C)CC1 ZINC001258017742 807266366 /nfs/dbraw/zinc/26/63/66/807266366.db2.gz NPOKVDQOGZAHNT-UHFFFAOYSA-N 1 1 252.446 3.395 20 30 CGEDMO CCCCCCC[C@H](C)[N@@H+](C)CCC1OCCO1 ZINC001258049183 807275734 /nfs/dbraw/zinc/27/57/34/807275734.db2.gz AZEWHJMDNVMHDI-AWEZNQCLSA-N 1 1 257.418 3.430 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1CCC[C@H](NC(C)=O)C1 ZINC001258047718 807275748 /nfs/dbraw/zinc/27/57/48/807275748.db2.gz NPXMZZKHVSKHJL-ZBFHGGJFSA-N 1 1 268.445 3.336 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC001258050490 807276305 /nfs/dbraw/zinc/27/63/05/807276305.db2.gz VZMNCOHGZQGSDY-JKSUJKDBSA-N 1 1 297.487 3.471 20 30 CGEDMO C(#Cc1ccccc1)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167970434 807287734 /nfs/dbraw/zinc/28/77/34/807287734.db2.gz KVLQQEMYHINKCH-IHWFROFDSA-N 1 1 294.442 3.033 20 30 CGEDMO C[C@@H](C#N)N(C)[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168056074 807302317 /nfs/dbraw/zinc/30/23/17/807302317.db2.gz CEQVGBUHHDOGIZ-DFGXFYAUSA-N 1 1 285.435 3.272 20 30 CGEDMO C#C[C@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC001258147151 807319721 /nfs/dbraw/zinc/31/97/21/807319721.db2.gz HIVXYPKHFGZQCT-SFHVURJKSA-N 1 1 296.458 3.039 20 30 CGEDMO C=CCn1ccc2c1nc[nH+]c2NC1(c2ccccn2)CC1 ZINC001168147633 807324141 /nfs/dbraw/zinc/32/41/41/807324141.db2.gz XHTZFFRNRSLRBA-UHFFFAOYSA-N 1 1 291.358 3.114 20 30 CGEDMO COc1ccc2c(c1)C[C@@H]([N@@H+](C)Cc1ccc(C#N)cc1)C2 ZINC001168271897 807369270 /nfs/dbraw/zinc/36/92/70/807369270.db2.gz GBWOLAZQTGIAMB-SFHVURJKSA-N 1 1 292.382 3.166 20 30 CGEDMO COc1ccc2c(c1)C[C@H]([N@@H+](C)Cc1cccc(C#N)c1)C2 ZINC001168282038 807372828 /nfs/dbraw/zinc/37/28/28/807372828.db2.gz DLKIMNYVXZJYPO-GOSISDBHSA-N 1 1 292.382 3.166 20 30 CGEDMO CC(C)[NH+]1CC(Nc2nccc(-c3ccccc3)c2C#N)C1 ZINC001168312132 807378636 /nfs/dbraw/zinc/37/86/36/807378636.db2.gz WXABLRGMCWFLPU-UHFFFAOYSA-N 1 1 292.386 3.125 20 30 CGEDMO CC1(C)CCC[C@H]([N@H+]2CCC3SC(=O)C=C3C2)C1 ZINC001258284828 807395731 /nfs/dbraw/zinc/39/57/31/807395731.db2.gz IMMMQPHWOINEEL-QWHCGFSZSA-N 1 1 265.422 3.229 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168658414 807470258 /nfs/dbraw/zinc/47/02/58/807470258.db2.gz ABAMEIVJBNBJEZ-ZBFHGGJFSA-N 1 1 261.365 3.033 20 30 CGEDMO C=CC[C@H]([NH2+][C@H](CCC)CCCCC)C(=O)OC ZINC001258664410 807532111 /nfs/dbraw/zinc/53/21/11/807532111.db2.gz JRVNPUBNFRKRTG-KGLIPLIRSA-N 1 1 255.402 3.443 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039900 807557397 /nfs/dbraw/zinc/55/73/97/807557397.db2.gz VOTYNUQEHLGBLM-HZPDHXFCSA-N 1 1 274.364 3.120 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCC[C@@](O)(C(F)(F)F)C1 ZINC001258724646 807572302 /nfs/dbraw/zinc/57/23/02/807572302.db2.gz BLSNYIUSWVDACM-RYUDHWBXSA-N 1 1 265.319 3.120 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@]2(C[C@H](OCC)CO2)C1 ZINC001258729562 807575806 /nfs/dbraw/zinc/57/58/06/807575806.db2.gz WPTSZDIBGFSCGY-OWCLPIDISA-N 1 1 267.413 3.001 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001258729956 807575934 /nfs/dbraw/zinc/57/59/34/807575934.db2.gz ZPTYBHLKTCWVBT-RYQLBKOJSA-N 1 1 293.451 3.391 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCn2cnc(Cn3cccc3)c2C1 ZINC001258731393 807577453 /nfs/dbraw/zinc/57/74/53/807577453.db2.gz WYDGTHAIQXQZLU-INIZCTEOSA-N 1 1 298.434 3.293 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](N2Cc3ccccc3C2=O)C1 ZINC001258732831 807579588 /nfs/dbraw/zinc/57/95/88/807579588.db2.gz CGLOICLQUVPJTF-ZBFHGGJFSA-N 1 1 284.403 3.071 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OCC ZINC001258733041 807579615 /nfs/dbraw/zinc/57/96/15/807579615.db2.gz UKIACTQWQOUKEZ-QPSCCSFWSA-N 1 1 265.397 3.005 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCOC[C@@H]1CCC(=O)OC(C)(C)C ZINC001258736310 807582236 /nfs/dbraw/zinc/58/22/36/807582236.db2.gz QSKSLAWZOMDRMU-GJZGRUSLSA-N 1 1 297.439 3.164 20 30 CGEDMO C#C[C@](C)(CC)Nc1c[nH+]c2c(Br)cccn12 ZINC001169701785 807692624 /nfs/dbraw/zinc/69/26/24/807692624.db2.gz TYWHMVSTWVIUJD-CYBMUJFWSA-N 1 1 292.180 3.311 20 30 CGEDMO C=CCc1cc(C)c[nH+]c1NC[C@@H](CO)Cc1ccccc1 ZINC001169897563 807721998 /nfs/dbraw/zinc/72/19/98/807721998.db2.gz PPNDBAMXPDUARH-KRWDZBQOSA-N 1 1 296.414 3.382 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H]1CC[C@@H](C)C1)CC2 ZINC001170138343 807772755 /nfs/dbraw/zinc/77/27/55/807772755.db2.gz QMAXZTHLNOFDMD-NUJGCVRESA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+]([C@@H]1CC[C@@H](C)C1)C2 ZINC001170140285 807773974 /nfs/dbraw/zinc/77/39/74/807773974.db2.gz XIDXZVNHTPBTAZ-JFIYKMOQSA-N 1 1 290.451 3.208 20 30 CGEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCC3(COC3)C2)CC1 ZINC001170378716 807833073 /nfs/dbraw/zinc/83/30/73/807833073.db2.gz JDSWNKZOMXETHU-UHFFFAOYSA-N 1 1 296.414 3.113 20 30 CGEDMO C[N@@H+](CC(C)(C)C#N)CC1([C@@H]2CCCCO2)CCC1 ZINC001170547673 807854597 /nfs/dbraw/zinc/85/45/97/807854597.db2.gz CKZDCKYHUJZVOR-AWEZNQCLSA-N 1 1 264.413 3.207 20 30 CGEDMO C=CC[C@H]([NH2+][C@@H](CC)CCCCCC)C(=O)OC ZINC001170586111 807860314 /nfs/dbraw/zinc/86/03/14/807860314.db2.gz IANPNBKQCVXXES-KBPBESRZSA-N 1 1 255.402 3.443 20 30 CGEDMO C[C@]1(C#N)CC[N@H+]([C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171133106 807994231 /nfs/dbraw/zinc/99/42/31/807994231.db2.gz JNLUZJFAUVLNIE-JKSUJKDBSA-N 1 1 274.795 3.433 20 30 CGEDMO C=C(CC)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001263731554 807998783 /nfs/dbraw/zinc/99/87/83/807998783.db2.gz IPXFLAWFJGWGTK-HOTGVXAUSA-N 1 1 278.440 3.066 20 30 CGEDMO CCC[NH+](CCC)CCN[C@H](C)Cc1cccc(C#N)c1 ZINC001171179228 808000822 /nfs/dbraw/zinc/00/08/22/808000822.db2.gz PGXXGZPOCMYHHS-MRXNPFEDSA-N 1 1 287.451 3.201 20 30 CGEDMO C=CCC1(C(=O)N(C)C[C@@H]2CC[N@@H+]2CCCCC)CCC1 ZINC001263810508 808005832 /nfs/dbraw/zinc/00/58/32/808005832.db2.gz XZOBKFHUAHAHKK-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCn2cccc2[C@H]1C ZINC001171223921 808012546 /nfs/dbraw/zinc/01/25/46/808012546.db2.gz OGGYRFPYRYISAD-HUUCEWRRSA-N 1 1 279.387 3.368 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCn2cccc2[C@H]1C ZINC001171223921 808012551 /nfs/dbraw/zinc/01/25/51/808012551.db2.gz OGGYRFPYRYISAD-HUUCEWRRSA-N 1 1 279.387 3.368 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC001171221662 808012954 /nfs/dbraw/zinc/01/29/54/808012954.db2.gz RPKMAOGDZKIGNQ-FZMZJTMJSA-N 1 1 282.309 3.373 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCOc2ccccc2C1 ZINC001171222017 808013077 /nfs/dbraw/zinc/01/30/77/808013077.db2.gz ZMHXIQMHVAJMJU-HNNXBMFYSA-N 1 1 292.382 3.384 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](CC1CC1)C1CC1 ZINC001171229840 808014351 /nfs/dbraw/zinc/01/43/51/808014351.db2.gz QWEZGEUWJPHQRM-ZDUSSCGKSA-N 1 1 254.377 3.364 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1[C@H]2CCC[N@H+](CC)[C@H]2C1(C)C ZINC001264029833 808030274 /nfs/dbraw/zinc/03/02/74/808030274.db2.gz JWONNZTVWQBYBB-FVQBIDKESA-N 1 1 292.467 3.214 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C=C(C)C)C[C@@H]2C1 ZINC001264081871 808033868 /nfs/dbraw/zinc/03/38/68/808033868.db2.gz KXWWZOMNOSJNHQ-ZACQAIPSSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC[C@H](C)CC)[C@H]1C ZINC001264164954 808042393 /nfs/dbraw/zinc/04/23/93/808042393.db2.gz TWGJHGNCCLDBBX-BNOWGMLFSA-N 1 1 286.847 3.144 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC[C@H](C)CC)[C@H]1C ZINC001264164954 808042399 /nfs/dbraw/zinc/04/23/99/808042399.db2.gz TWGJHGNCCLDBBX-BNOWGMLFSA-N 1 1 286.847 3.144 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@@H+](CCF)CC(C)(C)C1 ZINC001264195255 808047878 /nfs/dbraw/zinc/04/78/78/808047878.db2.gz OZSZLRRKQIPUGE-CQSZACIVSA-N 1 1 298.446 3.165 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)C1CCC1 ZINC001264366287 808061723 /nfs/dbraw/zinc/06/17/23/808061723.db2.gz AGSFSBSKAAREHH-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)CC=C ZINC001264373769 808064310 /nfs/dbraw/zinc/06/43/10/808064310.db2.gz YSWJMEFCKSGUSG-JKSUJKDBSA-N 1 1 292.467 3.476 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+]([C@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171497858 808078499 /nfs/dbraw/zinc/07/84/99/808078499.db2.gz WXVFUPGZAYGADA-BBRMVZONSA-N 1 1 276.330 3.058 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+]([C@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171497858 808078506 /nfs/dbraw/zinc/07/85/06/808078506.db2.gz WXVFUPGZAYGADA-BBRMVZONSA-N 1 1 276.330 3.058 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)CC)[C@H]1CC ZINC001264606456 808080397 /nfs/dbraw/zinc/08/03/97/808080397.db2.gz QHFLRLFFXBHZNQ-OWCLPIDISA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)CCCC)C[C@@H]2C1 ZINC001264638926 808082536 /nfs/dbraw/zinc/08/25/36/808082536.db2.gz RSMDBNFXQLQEDH-BBWFWOEESA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)CCCC)[C@H]1C ZINC001264698926 808085733 /nfs/dbraw/zinc/08/57/33/808085733.db2.gz XBHGSDNLBPWICL-XHSDSOJGSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)C[N@@H+](C)CCCNC(=O)C1CCC(C2CC2)CC1 ZINC001265063142 808107203 /nfs/dbraw/zinc/10/72/03/808107203.db2.gz ACSKCJANKSNITD-UHFFFAOYSA-N 1 1 292.467 3.217 20 30 CGEDMO C#CC[N@@H+](CC)CCCNC(=O)C(C)(C)C1CCCCC1 ZINC001265137302 808112281 /nfs/dbraw/zinc/11/22/81/808112281.db2.gz RAZFHSBVLSIXDI-UHFFFAOYSA-N 1 1 292.467 3.054 20 30 CGEDMO CCC(CC)C[N@@H+](CCCNC(=O)C#CC(C)C)C1CC1 ZINC001265161063 808113582 /nfs/dbraw/zinc/11/35/82/808113582.db2.gz ATVXAPJDQRMMLN-UHFFFAOYSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)/C=C(/C)CC)CC1 ZINC001265192382 808118281 /nfs/dbraw/zinc/11/82/81/808118281.db2.gz YYXQUAFJKXBTNI-BENRWUELSA-N 1 1 284.831 3.018 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2ccoc2C)C1 ZINC001265203917 808119328 /nfs/dbraw/zinc/11/93/28/808119328.db2.gz RPQYTYMAMGPMRJ-DZGCQCFKSA-N 1 1 290.407 3.137 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](CC)CCCC)C1 ZINC001265221314 808121283 /nfs/dbraw/zinc/12/12/83/808121283.db2.gz XRQLHSVYLBFIMZ-IRXDYDNUSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@H](NC(=O)c2cccs2)C1 ZINC001265267684 808124246 /nfs/dbraw/zinc/12/42/46/808124246.db2.gz AJSRJWNKDLCCQZ-CQSZACIVSA-N 1 1 292.448 3.299 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)CCC ZINC001265403575 808139606 /nfs/dbraw/zinc/13/96/06/808139606.db2.gz LXZOONRQPQHRGB-OAGGEKHMSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)C ZINC001265516064 808150011 /nfs/dbraw/zinc/15/00/11/808150011.db2.gz SOXKYHBMFTXZNY-MQVJKMGUSA-N 1 1 278.440 3.110 20 30 CGEDMO C#CC(C)(C)N[C@H]1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171963945 808161942 /nfs/dbraw/zinc/16/19/42/808161942.db2.gz GCUKXVUXLSUPFH-KRWDZBQOSA-N 1 1 284.447 3.431 20 30 CGEDMO C#CC(C)(C)N[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171963945 808161945 /nfs/dbraw/zinc/16/19/45/808161945.db2.gz GCUKXVUXLSUPFH-KRWDZBQOSA-N 1 1 284.447 3.431 20 30 CGEDMO C[C@@H](CC#N)N[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171976830 808163097 /nfs/dbraw/zinc/16/30/97/808163097.db2.gz ULGWQPGFBIYBAL-DOTOQJQBSA-N 1 1 285.435 3.321 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC2(C)CCCC2)C1 ZINC001265702425 808170795 /nfs/dbraw/zinc/17/07/95/808170795.db2.gz DHEBPARISHUPBH-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)/C=C/C(C)(C)C ZINC001265815132 808184430 /nfs/dbraw/zinc/18/44/30/808184430.db2.gz OYCACFUIMYOKKR-AYJWMTRPSA-N 1 1 280.456 3.382 20 30 CGEDMO C=CCC1(C(=O)NCCC[N@H+](C)C/C=C/Cl)CCCC1 ZINC001265985521 808198660 /nfs/dbraw/zinc/19/86/60/808198660.db2.gz HKKSECHFIHDDAB-IZZDOVSWSA-N 1 1 298.858 3.314 20 30 CGEDMO C#CC[N@H+]([C@H]1COC(C)(C)C1)[C@@H]1CCc2ccccc21 ZINC001172287433 808214805 /nfs/dbraw/zinc/21/48/05/808214805.db2.gz VEDUYOJSYLCPJF-NVXWUHKLSA-N 1 1 269.388 3.177 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)[C@@H](C)C1CCCC1)C1CC1 ZINC001266169311 808221685 /nfs/dbraw/zinc/22/16/85/808221685.db2.gz XGRAJGUUWKJUIA-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@H](N2CCCCC2)C1 ZINC001172306001 808222228 /nfs/dbraw/zinc/22/22/28/808222228.db2.gz HRKYXNSMGVDPFF-LPHOPBHVSA-N 1 1 297.446 3.049 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H](N2CCCCC2)C1 ZINC001172306001 808222231 /nfs/dbraw/zinc/22/22/31/808222231.db2.gz HRKYXNSMGVDPFF-LPHOPBHVSA-N 1 1 297.446 3.049 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1cccnc1 ZINC001172309151 808223022 /nfs/dbraw/zinc/22/30/22/808223022.db2.gz ROWYVPQRPRDJNT-CQSZACIVSA-N 1 1 265.360 3.016 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1ccccn1 ZINC001172309463 808223047 /nfs/dbraw/zinc/22/30/47/808223047.db2.gz UJOOXZSISOWGML-AWEZNQCLSA-N 1 1 265.360 3.016 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001172316964 808226759 /nfs/dbraw/zinc/22/67/59/808226759.db2.gz YZFWTBMRSCISDB-WQVCFCJDSA-N 1 1 290.357 3.466 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H]1c1cnccn1 ZINC001172318600 808227740 /nfs/dbraw/zinc/22/77/40/808227740.db2.gz HMQZOEGOTCZDNQ-KDOFPFPSSA-N 1 1 292.386 3.116 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1ccsc1C ZINC001266215137 808228673 /nfs/dbraw/zinc/22/86/73/808228673.db2.gz IIAPMXWHTKGOON-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC2CCC1CC2 ZINC001172320951 808230291 /nfs/dbraw/zinc/23/02/91/808230291.db2.gz XPDAFFBYQJAOPJ-IGEOTXOUSA-N 1 1 254.377 3.364 20 30 CGEDMO C=CCC[N@@H+](C)CCNC(=O)C1CC(C)(C)CC(C)(C)C1 ZINC001266304032 808238663 /nfs/dbraw/zinc/23/86/63/808238663.db2.gz FBFZNJYOYRGVPH-UHFFFAOYSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001266339018 808244262 /nfs/dbraw/zinc/24/42/62/808244262.db2.gz HVTZKIFTDNLWML-AEFFLSMTSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+](C)CCNC(=O)CCCc1sccc1C ZINC001266354515 808248213 /nfs/dbraw/zinc/24/82/13/808248213.db2.gz BKSXQORQHPUJRY-UHFFFAOYSA-N 1 1 294.464 3.003 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)c1c(C)cccc1F ZINC001266368155 808249900 /nfs/dbraw/zinc/24/99/00/808249900.db2.gz RWFXPELLJQBWCI-AWEZNQCLSA-N 1 1 292.398 3.150 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)CCNC(=O)c1sccc1CC ZINC001266362292 808250426 /nfs/dbraw/zinc/25/04/26/808250426.db2.gz CAZPGIQUCFQXMR-CYBMUJFWSA-N 1 1 294.464 3.327 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1C[C@H]2CN(C)C(=O)[C@H]2C1 ZINC001172355935 808251308 /nfs/dbraw/zinc/25/13/08/808251308.db2.gz SMSPKVXCLDZJSS-PMPSAXMXSA-N 1 1 280.456 3.146 20 30 CGEDMO CCCCCCC[C@H](CC)[N@@H+](C)CC(=O)N(C)C ZINC001172356546 808252321 /nfs/dbraw/zinc/25/23/21/808252321.db2.gz WULAZVBBHPTWEP-AWEZNQCLSA-N 1 1 256.434 3.146 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@H](OCC(=O)OC)C1 ZINC001172362311 808256975 /nfs/dbraw/zinc/25/69/75/808256975.db2.gz VEIVXQYTVUQENF-HOTGVXAUSA-N 1 1 299.455 3.389 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)C=C2CCC2)C1 ZINC001266453074 808266661 /nfs/dbraw/zinc/26/66/61/808266661.db2.gz XGBJPRTWWBMMQO-QGZVFWFLSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)CCCC ZINC001266461763 808270548 /nfs/dbraw/zinc/27/05/48/808270548.db2.gz VSIXMVXIKXNOTB-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1CCC[N@@H+]1C[C@H](C)CC ZINC001266464515 808270687 /nfs/dbraw/zinc/27/06/87/808270687.db2.gz BRMQYTRUTHGBFW-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)CCCC ZINC001266461761 808270809 /nfs/dbraw/zinc/27/08/09/808270809.db2.gz VSIXMVXIKXNOTB-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@H](C[N@H+](C)CC(=C)Cl)C1 ZINC001266463396 808271343 /nfs/dbraw/zinc/27/13/43/808271343.db2.gz KNPKSOWUEJVZHD-CQSZACIVSA-N 1 1 298.858 3.122 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)C1(CC)CCC1 ZINC001266477915 808272925 /nfs/dbraw/zinc/27/29/25/808272925.db2.gz XDOFKKQXXGDPCE-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](C)[C@H](C)C2)C1 ZINC001172381406 808274019 /nfs/dbraw/zinc/27/40/19/808274019.db2.gz DIRWHJKUZJXNKB-KLHDSHLOSA-N 1 1 294.439 3.188 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CCC(C)(C)C ZINC001266499260 808276636 /nfs/dbraw/zinc/27/66/36/808276636.db2.gz VTALQPBSRVHNKT-HRCADAONSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CCC(C)(C)C ZINC001266499260 808276639 /nfs/dbraw/zinc/27/66/39/808276639.db2.gz VTALQPBSRVHNKT-HRCADAONSA-N 1 1 292.467 3.310 20 30 CGEDMO CCCCCC[N@H+]1CC[C@@H](CNC(=O)C#CC(C)(C)C)C1 ZINC001266513661 808279078 /nfs/dbraw/zinc/27/90/78/808279078.db2.gz DUNUUJVFQQKCNT-INIZCTEOSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001266523901 808280556 /nfs/dbraw/zinc/28/05/56/808280556.db2.gz XPLHKICKTALSOT-ARFHVFGLSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)[C@@]1(C)CCC[C@H]1CC ZINC001266565206 808286535 /nfs/dbraw/zinc/28/65/35/808286535.db2.gz PKXFYZUWYTXJSI-WBVHZDCISA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)C12CCC(CC1)CC2 ZINC001266579187 808290217 /nfs/dbraw/zinc/29/02/17/808290217.db2.gz HUGBAZUTZKSTSV-UHFFFAOYSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCCC[N@H+](CCNC(=O)C(C)=C1CCC1)C1CC1 ZINC001266592501 808293276 /nfs/dbraw/zinc/29/32/76/808293276.db2.gz RMDCXAYFLZYLMZ-UHFFFAOYSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCC[N@@H+](CC1CCCC1)C1CC1 ZINC001266609416 808295333 /nfs/dbraw/zinc/29/53/33/808295333.db2.gz MYVPEXAWFOXWFP-SFHVURJKSA-N 1 1 292.467 3.360 20 30 CGEDMO CC(C)OCC[C@@H](C)[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001172442699 808318847 /nfs/dbraw/zinc/31/88/47/808318847.db2.gz JNNVBYZAKILHJS-CQSZACIVSA-N 1 1 272.392 3.120 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCC(=C)C ZINC001266887660 808332023 /nfs/dbraw/zinc/33/20/23/808332023.db2.gz ZPWIXOIGILOIOZ-IRXDYDNUSA-N 1 1 290.451 3.374 20 30 CGEDMO C[C@@H](CCCC#N)[NH+]1CCC(N)(c2ccccc2F)CC1 ZINC001172487105 808347726 /nfs/dbraw/zinc/34/77/26/808347726.db2.gz JSNJFCFUKPKCRY-AWEZNQCLSA-N 1 1 289.398 3.158 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CC[C@H](CC(=O)OC(C)(C)C)C1 ZINC001172498857 808355465 /nfs/dbraw/zinc/35/54/65/808355465.db2.gz RUILRTKOUDYNDT-ZIAGYGMSSA-N 1 1 280.412 3.122 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)CCCC)C1 ZINC001267100826 808357872 /nfs/dbraw/zinc/35/78/72/808357872.db2.gz NBCVEWJISASQKI-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO CCCCCCCC[C@H](CC)[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC001172505494 808360382 /nfs/dbraw/zinc/36/03/82/808360382.db2.gz OBXGZUKCMDKNAJ-IXDOHACOSA-N 1 1 285.472 3.191 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCN(Cc2ccccc2)C[C@@H]1C ZINC001172507570 808363912 /nfs/dbraw/zinc/36/39/12/808363912.db2.gz WTASEISQBAHDIL-IRXDYDNUSA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@@H](CCCC#N)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001172507570 808363921 /nfs/dbraw/zinc/36/39/21/808363921.db2.gz WTASEISQBAHDIL-IRXDYDNUSA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@@H](CCCC#N)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001172507570 808363929 /nfs/dbraw/zinc/36/39/29/808363929.db2.gz WTASEISQBAHDIL-IRXDYDNUSA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@H](CCCC#N)[N@@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC001172508951 808366989 /nfs/dbraw/zinc/36/69/89/808366989.db2.gz HYDRVGXQEWUIFO-CJNGLKHVSA-N 1 1 276.355 3.281 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCOC[C@H]1c1ccc(F)cc1 ZINC001172508951 808366996 /nfs/dbraw/zinc/36/69/96/808366996.db2.gz HYDRVGXQEWUIFO-CJNGLKHVSA-N 1 1 276.355 3.281 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1CCCNC(=O)C1=CCCCCC1 ZINC001267165922 808370855 /nfs/dbraw/zinc/37/08/55/808370855.db2.gz RGBPKKHMMBUVFF-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C#Cc1ccc(C(=O)NCCC[C@H]2CCC[N@@H+]2CCC)cc1 ZINC001267170998 808372973 /nfs/dbraw/zinc/37/29/73/808372973.db2.gz BTSNIJSEILNURY-SFHVURJKSA-N 1 1 298.430 3.052 20 30 CGEDMO C#CCCCC(=O)NCC[N@H+](C)CC[C@@H]1CCC[C@@H](C)C1 ZINC001267193443 808376605 /nfs/dbraw/zinc/37/66/05/808376605.db2.gz QBSMWGSEPLDNMR-SJORKVTESA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCCC[N@H+](CC)CCNC(=O)C=C1CCCCC1 ZINC001267237855 808390102 /nfs/dbraw/zinc/39/01/02/808390102.db2.gz AYMVWMVQFXRGIQ-UHFFFAOYSA-N 1 1 278.440 3.281 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)[C@@H]1CCCC[C@@H]1C1CC1 ZINC001267246846 808394010 /nfs/dbraw/zinc/39/40/10/808394010.db2.gz PSRIHGWMGVZRDU-IAGOWNOFSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1CCCC12CC2 ZINC001267245329 808394051 /nfs/dbraw/zinc/39/40/51/808394051.db2.gz DPOBQYTTWGXOLP-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)[C@@H]1CC2CCC1CC2 ZINC001267257423 808396884 /nfs/dbraw/zinc/39/68/84/808396884.db2.gz VVDAZNBYZZSKKD-OFLPRAFFSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1CC[N@H+](C[C@H](C)CC)C1 ZINC001267298704 808406280 /nfs/dbraw/zinc/40/62/80/808406280.db2.gz QWKZFCLTLSTJAY-CABCVRRESA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)C(C)(C)CC=C)C1 ZINC001267303812 808408923 /nfs/dbraw/zinc/40/89/23/808408923.db2.gz RWNNZVQFGXYBPE-CVEARBPZSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(Cl)C[N@H+](CCC)CCNC(=O)C[C@H]1C=CCCC1 ZINC001267315320 808411421 /nfs/dbraw/zinc/41/14/21/808411421.db2.gz JMCARYOMBIIAFU-HNNXBMFYSA-N 1 1 298.858 3.314 20 30 CGEDMO C=C(Cl)C[N@@H+](CCC)CCNC(=O)C[C@H]1C=CCCC1 ZINC001267315320 808411425 /nfs/dbraw/zinc/41/14/25/808411425.db2.gz JMCARYOMBIIAFU-HNNXBMFYSA-N 1 1 298.858 3.314 20 30 CGEDMO C=C(C)CC[N@@H+](CCNC(=O)C[C@@H]1C=CCCC1)C1CC1 ZINC001267327395 808415710 /nfs/dbraw/zinc/41/57/10/808415710.db2.gz MBCZQCZSXABYRE-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)c1csc(Cl)c1)C1CC1 ZINC001267333469 808417512 /nfs/dbraw/zinc/41/75/12/808417512.db2.gz BRIAWXOLRGHNDG-UHFFFAOYSA-N 1 1 298.839 3.172 20 30 CGEDMO N#CC[C@H]1CCC[N@H+]([C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172722235 808418772 /nfs/dbraw/zinc/41/87/72/808418772.db2.gz RSBJDMJPXLLJQF-MLGOLLRUSA-N 1 1 274.795 3.433 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+]([C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172724487 808421062 /nfs/dbraw/zinc/42/10/62/808421062.db2.gz NDALNAAKEWOABQ-CABCVRRESA-N 1 1 260.768 3.043 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+]([C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172724487 808421065 /nfs/dbraw/zinc/42/10/65/808421065.db2.gz NDALNAAKEWOABQ-CABCVRRESA-N 1 1 260.768 3.043 20 30 CGEDMO C=C(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC/C=C/CC ZINC001267409316 808424115 /nfs/dbraw/zinc/42/41/15/808424115.db2.gz DNZJWDTWOPXDAJ-WZDWLKHJSA-N 1 1 290.451 3.374 20 30 CGEDMO C#CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H](CC)CCCC)C1 ZINC001267449813 808427412 /nfs/dbraw/zinc/42/74/12/808427412.db2.gz GCRVOOHGNBFSSF-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H](CC)CCCC)C1 ZINC001267449813 808427419 /nfs/dbraw/zinc/42/74/19/808427419.db2.gz GCRVOOHGNBFSSF-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)CC2(C)CC2)C1 ZINC001267476151 808431105 /nfs/dbraw/zinc/43/11/05/808431105.db2.gz VPMVOGMKZSQCAI-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)CC2(C)CCCC2)C1 ZINC001267523351 808439693 /nfs/dbraw/zinc/43/96/93/808439693.db2.gz IGBXDFBICHLXMP-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)C ZINC001267534329 808441280 /nfs/dbraw/zinc/44/12/80/808441280.db2.gz WGDIVMOVEUNFPX-IYBDPMFKSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCCCC[N@H+](C)[C@H]1CCC[C@@H](C(=O)OC)CC1 ZINC001172806645 808443908 /nfs/dbraw/zinc/44/39/08/808443908.db2.gz JISZHHPRCAHNDQ-CABCVRRESA-N 1 1 267.413 3.396 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)C=C(C)C)C1 ZINC001267549463 808444689 /nfs/dbraw/zinc/44/46/89/808444689.db2.gz FACPWDPVLHFYRS-CVEARBPZSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N(CCC)[C@H]1CC[N@H+](C(C)C)C1 ZINC001267546457 808444759 /nfs/dbraw/zinc/44/47/59/808444759.db2.gz PDHZSLQWMPANCQ-HOTGVXAUSA-N 1 1 280.456 3.310 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)C(C)(C)C2CCC2)C1 ZINC001267552859 808446650 /nfs/dbraw/zinc/44/66/50/808446650.db2.gz VWEPOGMYKCALFI-OAHLLOKOSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C[C@H](CC)CC(=O)NCC[C@@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC001267563418 808448105 /nfs/dbraw/zinc/44/81/05/808448105.db2.gz YQZATWICXAXAFD-VZLFFANISA-N 1 1 298.858 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001267565153 808448425 /nfs/dbraw/zinc/44/84/25/808448425.db2.gz JVQCDIMMOALGAA-GVDBMIGSSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)c2cccs2)C1 ZINC001267577241 808451030 /nfs/dbraw/zinc/45/10/30/808451030.db2.gz JFNHEJZHYXKJIO-CQSZACIVSA-N 1 1 292.448 3.108 20 30 CGEDMO C=CC[N@H+](C)CC1CCN(C(=O)C(C)(C)C(C)C)CC1 ZINC001267599177 808455429 /nfs/dbraw/zinc/45/54/29/808455429.db2.gz GAMZOMDDCKXAOG-UHFFFAOYSA-N 1 1 280.456 3.025 20 30 CGEDMO C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@H]2CC[C@H](C)C2)CC1 ZINC001267602365 808457486 /nfs/dbraw/zinc/45/74/86/808457486.db2.gz AGXNEWFEVLGXPP-RDJZCZTQSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CCC[N@H+](CC/C=C/CC)C1 ZINC001267613709 808458914 /nfs/dbraw/zinc/45/89/14/808458914.db2.gz RGNUETDHAQYTEK-SQRWCISFSA-N 1 1 278.440 3.280 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)CC2CCCC2)C1 ZINC001267625507 808460149 /nfs/dbraw/zinc/46/01/49/808460149.db2.gz MAKBJAVXPDBQSH-OAHLLOKOSA-N 1 1 298.858 3.100 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@@H]1CCN(C(=O)/C(C)=C/C)C1 ZINC001267638103 808462418 /nfs/dbraw/zinc/46/24/18/808462418.db2.gz JFTHDEZCIKJWLG-ZSUDGLGESA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C)CC(C)C)C1 ZINC001267634000 808463041 /nfs/dbraw/zinc/46/30/41/808463041.db2.gz ZBPHFTKGAHMBLM-HOTGVXAUSA-N 1 1 280.456 3.215 20 30 CGEDMO C[C@@H](Cc1ccc(F)cc1Cl)[NH+]1CC(CC#N)C1 ZINC001172863797 808467245 /nfs/dbraw/zinc/46/72/45/808467245.db2.gz KPHPLYLIORPCIO-JTQLQIEISA-N 1 1 266.747 3.256 20 30 CGEDMO C=CCC(C)(C)C(=O)NC1C[NH+](CCCC2CCCC2)C1 ZINC001267664058 808467393 /nfs/dbraw/zinc/46/73/93/808467393.db2.gz SZDSMFRUWYRILP-UHFFFAOYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)CCCCC)C1 ZINC001267718724 808476137 /nfs/dbraw/zinc/47/61/37/808476137.db2.gz FRDRLDNXQXBKKJ-GJZGRUSLSA-N 1 1 266.429 3.112 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001267741745 808480700 /nfs/dbraw/zinc/48/07/00/808480700.db2.gz KVBLOVLRBONZBY-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001267750230 808482523 /nfs/dbraw/zinc/48/25/23/808482523.db2.gz ZXKQIZFMCSPOKG-AEFFLSMTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2cocc2C)C1 ZINC001267771004 808488856 /nfs/dbraw/zinc/48/88/56/808488856.db2.gz WRVYGUDIZFPGHQ-LSDHHAIUSA-N 1 1 290.407 3.089 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](C)CCCCC)C1 ZINC001267773421 808489083 /nfs/dbraw/zinc/48/90/83/808489083.db2.gz NDGFJIBIEBNBNW-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)C2CCCC2)C1 ZINC001267777831 808490426 /nfs/dbraw/zinc/49/04/26/808490426.db2.gz UIZZAOCGPCLWKC-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)C2CCCC2)C1 ZINC001267777836 808490738 /nfs/dbraw/zinc/49/07/38/808490738.db2.gz UIZZAOCGPCLWKC-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)C2(F)CCCCC2)C1 ZINC001267789438 808493792 /nfs/dbraw/zinc/49/37/92/808493792.db2.gz FOFPDVCEIXRGSW-HNNXBMFYSA-N 1 1 296.430 3.158 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001268112879 808544229 /nfs/dbraw/zinc/54/42/29/808544229.db2.gz VQZBIALTSDRLLR-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC(CC[N@@H+](C)CCF)CC1 ZINC001268199602 808555001 /nfs/dbraw/zinc/55/50/01/808555001.db2.gz JFDHQQYFFUMVGM-UHFFFAOYSA-N 1 1 298.446 3.119 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CCC[N@H+](CC2CC(C)C2)C1 ZINC001268216282 808558930 /nfs/dbraw/zinc/55/89/30/808558930.db2.gz CXXDAHKNLTZHED-GPANFISMSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCOC(=O)[C@@H]([NH2+][C@@H]1CC[C@@H](CC)C1)[C@@H](C)CC ZINC001173265719 808570903 /nfs/dbraw/zinc/57/09/03/808570903.db2.gz IMURXDMFQNEVNL-YJNKXOJESA-N 1 1 267.413 3.299 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2CN(C(=O)C=C(CC)CC)CC[C@@H]21 ZINC001268261418 808571610 /nfs/dbraw/zinc/57/16/10/808571610.db2.gz DDZANIQVKHKUIG-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@H+]([C@H]3CC[C@@H](CC)C3)C2)C1=O ZINC001173284541 808586022 /nfs/dbraw/zinc/58/60/22/808586022.db2.gz ZYLSLWFSIJHCQS-RYRKJORJSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCCCC[NH+]1CC(NC(=O)[C@@H]2C[C@]2(C)C(C)C)C1 ZINC001268467468 808590437 /nfs/dbraw/zinc/59/04/37/808590437.db2.gz UQESQGIOABGSPC-FUHWJXTLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCOC1CCC([N@H+](C(C)C)C2CCN(C)CC2)CC1 ZINC001173325287 808612549 /nfs/dbraw/zinc/61/25/49/808612549.db2.gz JAIJYJGRNJDVIC-UHFFFAOYSA-N 1 1 294.483 3.305 20 30 CGEDMO CCOC(=O)[C@@H](CC1CCC1)[NH2+]C1CCC(CC#N)CC1 ZINC001173328684 808614745 /nfs/dbraw/zinc/61/47/45/808614745.db2.gz JQMKDTVNCYHOMJ-AVVWSFFYSA-N 1 1 292.423 3.170 20 30 CGEDMO N#CCC1CCC([N@H+]2CCOC3(CCCCC3)C2)CC1 ZINC001173338091 808618936 /nfs/dbraw/zinc/61/89/36/808618936.db2.gz WXRZFTHUDNUURA-UHFFFAOYSA-N 1 1 276.424 3.494 20 30 CGEDMO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](C2CCC(CC#N)CC2)C1 ZINC001173338637 808618997 /nfs/dbraw/zinc/61/89/97/808618997.db2.gz GILWSZMCARJNPK-SHARSMKWSA-N 1 1 292.423 3.122 20 30 CGEDMO C=CC(C)(C)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCCCF ZINC001268947347 808636908 /nfs/dbraw/zinc/63/69/08/808636908.db2.gz LTGDORIOBNAUMZ-GJZGRUSLSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C1CC=C(F)C=C1[NH2+][C@H](C)CCCCC(=O)OC ZINC001173447025 808638584 /nfs/dbraw/zinc/63/85/84/808638584.db2.gz YVZMHSQOZMIIBK-GFCCVEGCSA-N 1 1 267.344 3.395 20 30 CGEDMO COC(=O)CCCC[C@H](C)[N@@H+](CCC#N)C1CCCC1 ZINC001173455241 808639894 /nfs/dbraw/zinc/63/98/94/808639894.db2.gz NYURWKNNAKVYDF-AWEZNQCLSA-N 1 1 280.412 3.267 20 30 CGEDMO COC(=O)CCCC[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001173456080 808640845 /nfs/dbraw/zinc/64/08/45/808640845.db2.gz YZSVGWJYFAJBIJ-AWEZNQCLSA-N 1 1 288.391 3.112 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC23CCC3)C1 ZINC001269069416 808646224 /nfs/dbraw/zinc/64/62/24/808646224.db2.gz NNRGVPCXAOMSAU-JKSUJKDBSA-N 1 1 292.467 3.338 20 30 CGEDMO CCCCCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001269089235 808646913 /nfs/dbraw/zinc/64/69/13/808646913.db2.gz OHUSVNNDLNTHCF-GASCZTMLSA-N 1 1 266.429 3.042 20 30 CGEDMO CCOC(=O)[C@@H](CC1CCC1)[NH2+]C1CCC(C)(C#N)CC1 ZINC001173588684 808647667 /nfs/dbraw/zinc/64/76/67/808647667.db2.gz OHXKJRUJLHXSFS-ISXOHVOVSA-N 1 1 292.423 3.170 20 30 CGEDMO CN1CC[N@H+](C2CCC(C)(C#N)CC2)C[C@H]1c1ccccc1 ZINC001173596215 808649863 /nfs/dbraw/zinc/64/98/63/808649863.db2.gz NXSZGOBKJQQZKI-XBMUEBEBSA-N 1 1 297.446 3.448 20 30 CGEDMO Cc1ccc(O[C@@H]2CC[N@H+](C3CCC(C)(C#N)CC3)C2)nc1 ZINC001173596691 808649899 /nfs/dbraw/zinc/64/98/99/808649899.db2.gz BJNHZOVWIJOLRZ-UPTPFMHGSA-N 1 1 299.418 3.316 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc[nH]2)C1 ZINC001269208497 808655916 /nfs/dbraw/zinc/65/59/16/808655916.db2.gz MPHBGMSXPBXRGO-OAHLLOKOSA-N 1 1 291.439 3.131 20 30 CGEDMO C#CCCCCC(=O)NC[C@H]1CC[N@@H+]1CCCC(C)(C)C ZINC001269224019 808658252 /nfs/dbraw/zinc/65/82/52/808658252.db2.gz TWYQHNBTRIXOHX-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC[N@H+]([C@H]1CC[C@@H](CC(=O)OCC)C1)C(C)(C)C ZINC001173662047 808661433 /nfs/dbraw/zinc/66/14/33/808661433.db2.gz UYZIDHFUHPKOJD-KGLIPLIRSA-N 1 1 267.413 3.395 20 30 CGEDMO C=CC(C)(C)C(=O)N(C)[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001269262776 808662456 /nfs/dbraw/zinc/66/24/56/808662456.db2.gz LKMMOIODTWLRMU-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H]2CC[N@@H+]2CC/C=C/CCC)C1 ZINC001269290494 808665880 /nfs/dbraw/zinc/66/58/80/808665880.db2.gz ATRZABNJMGBQEQ-MOEXGYKKSA-N 1 1 290.451 3.280 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001269287326 808666500 /nfs/dbraw/zinc/66/65/00/808666500.db2.gz HPWDJTCPIYGAQY-CVEARBPZSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CC(C)(C)CC(=O)N(CC)[C@H]1CC[N@@H+](CC(=C)C)C1 ZINC001269333527 808672191 /nfs/dbraw/zinc/67/21/91/808672191.db2.gz XWNFQEASYSOODB-HNNXBMFYSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(C)CCC(=O)N1CCCC[C@@]2(CC[N@H+](CC)C2)C1 ZINC001270512413 808734124 /nfs/dbraw/zinc/73/41/24/808734124.db2.gz IJACQQRMQQFEEO-KRWDZBQOSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CC[N@H+](C)CCC1CCN(C(=O)[C@H]2C[C@@H]2C(C)C)CC1 ZINC001271790143 808783674 /nfs/dbraw/zinc/78/36/74/808783674.db2.gz GMVPAGNZZDDGIG-SJORKVTESA-N 1 1 292.467 3.025 20 30 CGEDMO CC#CCCCCCCCC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2C ZINC001271781338 808783936 /nfs/dbraw/zinc/78/39/36/808783936.db2.gz GMMLERKCQRLCJZ-IRXDYDNUSA-N 1 1 290.451 3.045 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)c1cscc1C ZINC001271988784 808792510 /nfs/dbraw/zinc/79/25/10/808792510.db2.gz CAPHLFRLONVUHE-CQSZACIVSA-N 1 1 294.464 3.415 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)c1sc(C)cc1C ZINC001272028924 808793681 /nfs/dbraw/zinc/79/36/81/808793681.db2.gz ZZUTUERCPDBETJ-UHFFFAOYSA-N 1 1 294.464 3.335 20 30 CGEDMO C=C1CC(C)(C(=O)N(C)CC[N@H+](C)CC(CC)CC)C1 ZINC001272106471 808797682 /nfs/dbraw/zinc/79/76/82/808797682.db2.gz WILNZKNICZDLDD-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO CCCCCCC[C@@H](C)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001272293607 808804235 /nfs/dbraw/zinc/80/42/35/808804235.db2.gz KLEDKWXDAQDVPW-OWCLPIDISA-N 1 1 280.456 3.146 20 30 CGEDMO C#CCN1CC[C@]2(CCC[N@@H+]2CCCCCCCC)C1=O ZINC001272478229 808811741 /nfs/dbraw/zinc/81/17/41/808811741.db2.gz GTLFBBILHCNYEF-GOSISDBHSA-N 1 1 290.451 3.047 20 30 CGEDMO N#Cc1cc(F)ccc1Nc1cc[nH+]c2ccccc12 ZINC001174039968 808837779 /nfs/dbraw/zinc/83/77/79/808837779.db2.gz KWKYZKOCNOZPQS-UHFFFAOYSA-N 1 1 263.275 3.411 20 30 CGEDMO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2CC/C=C\CC ZINC001273418822 808844030 /nfs/dbraw/zinc/84/40/30/808844030.db2.gz IUJALCIVESITHZ-OOFWQKGWSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2CCCC(C)C)C1=O ZINC001273425125 808844598 /nfs/dbraw/zinc/84/45/98/808844598.db2.gz RELOGTXAAHZPDH-KRWDZBQOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@]2(CCN(CC3CCCC3)C2=O)C1 ZINC001273493542 808847783 /nfs/dbraw/zinc/84/77/83/808847783.db2.gz YWPUYBCQFRPWCX-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCCCC[N@@H+]1CCCC[C@]12CC(=O)N(CC(C)C)C2 ZINC001273501734 808849914 /nfs/dbraw/zinc/84/99/14/808849914.db2.gz UTTCADSLMBEBTB-GOSISDBHSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC(C)(C)CC(=O)N(C)CCC[N@H+](C)CC(C)C ZINC001273514009 808851647 /nfs/dbraw/zinc/85/16/47/808851647.db2.gz BQVFGJMADFCJHP-UHFFFAOYSA-N 1 1 268.445 3.025 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](F)CC)C2 ZINC001273841042 808861939 /nfs/dbraw/zinc/86/19/39/808861939.db2.gz QNAGNQJCSKTHKB-DOTOQJQBSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C2(C)CCC2)C[C@@H]1C ZINC001274632812 808879863 /nfs/dbraw/zinc/87/98/63/808879863.db2.gz BJNYUQKZMSCQNI-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC(=O)N1CCC(C[N@H+](CC)C[C@H](F)CC)CC1 ZINC001274945213 808894456 /nfs/dbraw/zinc/89/44/56/808894456.db2.gz DWPAARNFIQISML-MRXNPFEDSA-N 1 1 298.446 3.261 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)C1(CCCC)CC1 ZINC001275143773 808915211 /nfs/dbraw/zinc/91/52/11/808915211.db2.gz QBKHVPXOAXKCAE-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@H]1C[N@@H+](C)CC(C)C ZINC001275144011 808915226 /nfs/dbraw/zinc/91/52/26/808915226.db2.gz SRMAGFBZGHAOBD-DOTOQJQBSA-N 1 1 280.456 3.168 20 30 CGEDMO C=Cc1ccc(C(=O)N2CCC[C@@H]2C[N@H+](C)CC(=C)C)cc1 ZINC001275143589 808915583 /nfs/dbraw/zinc/91/55/83/808915583.db2.gz OOXFULWXVNITCT-GOSISDBHSA-N 1 1 298.430 3.442 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC001275628959 808952526 /nfs/dbraw/zinc/95/25/26/808952526.db2.gz IHXWZTIJZPBDJF-JKSUJKDBSA-N 1 1 288.435 3.225 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)C1CC1 ZINC001275905270 808975385 /nfs/dbraw/zinc/97/53/85/808975385.db2.gz WXSOCFQXJYLPPC-KGLIPLIRSA-N 1 1 280.456 3.214 20 30 CGEDMO N#Cc1ccccc1CN1CC2(C1)CC[N@H+](C1CCCC1)C2 ZINC001275965379 808980679 /nfs/dbraw/zinc/98/06/79/808980679.db2.gz DBPWDGIJJXARGK-UHFFFAOYSA-N 1 1 295.430 3.009 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)c1ccc(C(C)C)cc1 ZINC001275985380 808981820 /nfs/dbraw/zinc/98/18/20/808981820.db2.gz ANGBHOUOAZWZMA-OAHLLOKOSA-N 1 1 288.435 3.436 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)C[C@@H](C)CC)C(C)(C)C1 ZINC001276578439 809018096 /nfs/dbraw/zinc/01/80/96/809018096.db2.gz HHSDPTXJOJRJTP-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(CC)CC)[C@@H]2C1 ZINC001276738840 809028019 /nfs/dbraw/zinc/02/80/19/809028019.db2.gz RSXAKTDENNXPPZ-PHZGNYQRSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[C@H]2C[N@@H+](CC(=C)C)C[C@H]2C1 ZINC001276829333 809036095 /nfs/dbraw/zinc/03/60/95/809036095.db2.gz GRSBOAXYNLXXNI-GVDBMIGSSA-N 1 1 290.451 3.136 20 30 CGEDMO CCCCCCC[C@H](C)NC(=O)N1CC2(C1)CC[N@@H+](C)C2 ZINC001277422563 809074716 /nfs/dbraw/zinc/07/47/16/809074716.db2.gz JJXGVAVKHRZGMV-HNNXBMFYSA-N 1 1 295.471 3.083 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC(C)(C)CC)C2)C1 ZINC001277465092 809076139 /nfs/dbraw/zinc/07/61/39/809076139.db2.gz LNZPDNLSTHVYIQ-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[NH+]1CC(N(C)C(=O)[C@H](C)[C@H](C)C(C)(C)C)C1 ZINC001277671582 809087497 /nfs/dbraw/zinc/08/74/97/809087497.db2.gz XSPPAJCNGNGBHF-KGLIPLIRSA-N 1 1 280.456 3.023 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001278314357 809125180 /nfs/dbraw/zinc/12/51/80/809125180.db2.gz HXUHMTBFXURRBG-SJORKVTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)c2ccsc2)C1 ZINC001278355823 809127120 /nfs/dbraw/zinc/12/71/20/809127120.db2.gz DQCPDDIRZAQSQC-CJNGLKHVSA-N 1 1 292.448 3.297 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@]12CCC[C@@H]1[N@H+](C(C)C)CC2 ZINC001278458979 809135233 /nfs/dbraw/zinc/13/52/33/809135233.db2.gz HGXVUIKMTWAJBO-HLLBOEOZSA-N 1 1 278.440 3.110 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@]12CCC[C@@H]1[N@H+](C(C)C)CC2 ZINC001278458981 809135654 /nfs/dbraw/zinc/13/56/54/809135654.db2.gz HGXVUIKMTWAJBO-VYDXJSESSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CCC[N@@H+](CCC(C)(C)C)[C@@H]1C ZINC001278500797 809137700 /nfs/dbraw/zinc/13/77/00/809137700.db2.gz OGNBAOMMXRAQQY-HUUCEWRRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C2(C)CC(=C)C2)[C@@H]1C ZINC001278521447 809140459 /nfs/dbraw/zinc/14/04/59/809140459.db2.gz NUTQKWIZKDAZAC-JKSUJKDBSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C)CCC)[C@@H]2C1 ZINC001279605750 809175544 /nfs/dbraw/zinc/17/55/44/809175544.db2.gz KPTCPTRVYDMEBF-YESZJQIVSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CCc2ccc(F)c(F)c2)C1 ZINC001174890832 809192028 /nfs/dbraw/zinc/19/20/28/809192028.db2.gz MQLLAQCTQQCVLF-ZDUSSCGKSA-N 1 1 251.320 3.405 20 30 CGEDMO C=CCCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)CCC=C)CC1 ZINC001280712394 809196499 /nfs/dbraw/zinc/19/64/99/809196499.db2.gz XYZAZTQPLVHBLH-HOTGVXAUSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCN(C)C(=O)C1(C)CC=CC1 ZINC001280856955 809201168 /nfs/dbraw/zinc/20/11/68/809201168.db2.gz OXLSPNIKCYJJJV-MRXNPFEDSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)CCC(=C)C ZINC001281062419 809206591 /nfs/dbraw/zinc/20/65/91/809206591.db2.gz GTANPGRGRVIVHZ-SFHVURJKSA-N 1 1 298.430 3.072 20 30 CGEDMO C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)CCC(=C)C ZINC001281062419 809206594 /nfs/dbraw/zinc/20/65/94/809206594.db2.gz GTANPGRGRVIVHZ-SFHVURJKSA-N 1 1 298.430 3.072 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](NC(=O)CC)C[C@@H]1C ZINC001281644583 809215008 /nfs/dbraw/zinc/21/50/08/809215008.db2.gz LVAGKAKWCYRIND-LSDHHAIUSA-N 1 1 268.445 3.336 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)/C=C(/C)CC)C[C@@H]1C ZINC001281665525 809217069 /nfs/dbraw/zinc/21/70/69/809217069.db2.gz RVAXHYOZGIYNDJ-ZPJOPHOWSA-N 1 1 284.831 3.064 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)/C=C(/C)CC)C[C@@H]1C ZINC001281665525 809217074 /nfs/dbraw/zinc/21/70/74/809217074.db2.gz RVAXHYOZGIYNDJ-ZPJOPHOWSA-N 1 1 284.831 3.064 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)c1ccc(C)o1 ZINC001281921461 809223956 /nfs/dbraw/zinc/22/39/56/809223956.db2.gz YEGCIFCUFRVCGG-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@H]1C[N@@H+](C)CCC1CC1 ZINC001281956054 809225395 /nfs/dbraw/zinc/22/53/95/809225395.db2.gz AFWROJQKLUZXMI-FUHWJXTLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)C1(F)CCCCC1 ZINC001281964416 809226319 /nfs/dbraw/zinc/22/63/19/809226319.db2.gz GOHMRVMLDRLTQT-OAHLLOKOSA-N 1 1 296.430 3.158 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1ccccc1 ZINC001282344616 809241938 /nfs/dbraw/zinc/24/19/38/809241938.db2.gz XBUBBXALDWNQOR-LSDHHAIUSA-N 1 1 274.408 3.091 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)c1sccc1Cl ZINC001282388768 809244642 /nfs/dbraw/zinc/24/46/42/809244642.db2.gz KOSBIXPNAKRFLU-SNVBAGLBSA-N 1 1 286.828 3.028 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H](C)[N@H+](C)CCC(C)C ZINC001282390626 809246879 /nfs/dbraw/zinc/24/68/79/809246879.db2.gz ZTZZIPHYQHUBDD-CQSZACIVSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)C1(CC)CCCC1 ZINC001282478469 809249778 /nfs/dbraw/zinc/24/97/78/809249778.db2.gz OQUXNKRRIJNGDH-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CCC[N@H+](C)[C@H](C)CNC(=O)[C@H](C)CC1CCCCC1 ZINC001282485080 809251639 /nfs/dbraw/zinc/25/16/39/809251639.db2.gz JAYJYTRQBZVIDJ-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)CC(C)(C)C2CC2)C(C)(C)C1 ZINC001282801344 809263997 /nfs/dbraw/zinc/26/39/97/809263997.db2.gz SQRBRSVOHRGJGI-HNNXBMFYSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CCCC2(CN(C(=O)[C@H](C)C(C)C)C2)C1 ZINC001282973273 809268065 /nfs/dbraw/zinc/26/80/65/809268065.db2.gz SGAMQXFHQRXDLF-MRXNPFEDSA-N 1 1 292.467 3.169 20 30 CGEDMO C#CCC[N@H+](C)C1CCN(C(=O)[C@H](CC)CCCC)CC1 ZINC001283293007 809275844 /nfs/dbraw/zinc/27/58/44/809275844.db2.gz ZAKCHAHQIHHMAI-MRXNPFEDSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)CCCCCC)CC1 ZINC001283341432 809276458 /nfs/dbraw/zinc/27/64/58/809276458.db2.gz YQIZBICIAJSRKE-UHFFFAOYSA-N 1 1 280.456 3.456 20 30 CGEDMO CC#CCCCC(=O)N[C@H]1CCC[N@@H+](CC=C(C)C)[C@@H]1C ZINC001284129476 809298272 /nfs/dbraw/zinc/29/82/72/809298272.db2.gz IJJONBMUNOHWMF-SJORKVTESA-N 1 1 290.451 3.115 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)[C@@H]1CC=CCC1)C(C)C ZINC001284527442 809306156 /nfs/dbraw/zinc/30/61/56/809306156.db2.gz MZKQIYZQZJIYDY-MRXNPFEDSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)[C@@H](C)C(C)(F)F)C(C)C ZINC001284543297 809307970 /nfs/dbraw/zinc/30/79/70/809307970.db2.gz AJHAONKTWJMSJR-CYBMUJFWSA-N 1 1 290.398 3.023 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)C(C)=C1CCCC1)C(C)C ZINC001284531047 809308133 /nfs/dbraw/zinc/30/81/33/809308133.db2.gz ZBIREZOBTZJRQB-UHFFFAOYSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)C(C)=C1CCC1)C(C)C ZINC001284533957 809308180 /nfs/dbraw/zinc/30/81/80/809308180.db2.gz TZBVHVPNZUOQRI-UHFFFAOYSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)[C@@H]1CC[C@H](C)C1)C(C)C ZINC001284544822 809309966 /nfs/dbraw/zinc/30/99/66/809309966.db2.gz PKKAXGXFDOMZPK-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)CN1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001175349134 809371293 /nfs/dbraw/zinc/37/12/93/809371293.db2.gz CQHMAXDSULTGBL-INIZCTEOSA-N 1 1 250.430 3.149 20 30 CGEDMO C=C[C@H](CC)CC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001290989118 809419312 /nfs/dbraw/zinc/41/93/12/809419312.db2.gz SBGHUNAGVKIZEO-IXDOHACOSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCN(CC1CCCCC1)C(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC001293385079 809446586 /nfs/dbraw/zinc/44/65/86/809446586.db2.gz ZPORMXYTLZVYBU-INIZCTEOSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1ccc(Cl)nn1 ZINC001176771049 809759869 /nfs/dbraw/zinc/75/98/69/809759869.db2.gz DMHRMKGWEZPMCL-LBPRGKRZSA-N 1 1 251.761 3.061 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1CC(=O)N(Cc1ccc(C)cc1)C1CC1 ZINC001176815101 809763789 /nfs/dbraw/zinc/76/37/89/809763789.db2.gz SDLAYUAYNVBDHH-KRWDZBQOSA-N 1 1 298.430 3.136 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+](C)C[C@]12CCC[C@H]1OCC2 ZINC001176992095 809773662 /nfs/dbraw/zinc/77/36/62/809773662.db2.gz XCPHRFVRIGZARH-QZTJIDSGSA-N 1 1 284.403 3.258 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC001180199431 809983032 /nfs/dbraw/zinc/98/30/32/809983032.db2.gz TWGUINFIGJDDQT-UHFFFAOYSA-N 1 1 273.380 3.447 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2nc3ccc(F)cc3s2)C1 ZINC001180317144 809991350 /nfs/dbraw/zinc/99/13/50/809991350.db2.gz BWJVYDJOHWJVIC-GFCCVEGCSA-N 1 1 292.379 3.212 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2nc3ccc(F)cc3s2)C1 ZINC001180317144 809991353 /nfs/dbraw/zinc/99/13/53/809991353.db2.gz BWJVYDJOHWJVIC-GFCCVEGCSA-N 1 1 292.379 3.212 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@H+](C)CCCCC)cc1F ZINC001181865459 810077462 /nfs/dbraw/zinc/07/74/62/810077462.db2.gz TWTCKIFCLGYVKD-UHFFFAOYSA-N 1 1 290.382 3.258 20 30 CGEDMO C=C(C)C[C@H]([NH2+]C1CCC(C(C)C)CC1)C(=O)OC ZINC001183326418 810145170 /nfs/dbraw/zinc/14/51/70/810145170.db2.gz VZQPHOYTCPTVLE-NRXISQOPSA-N 1 1 267.413 3.299 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCCCC)[C@@H]2C1 ZINC001186872966 810368534 /nfs/dbraw/zinc/36/85/34/810368534.db2.gz QGMCVJFVCADGNG-IXDOHACOSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCC3CC3)[C@@H]2C1 ZINC001187367833 810397004 /nfs/dbraw/zinc/39/70/04/810397004.db2.gz YCGISEMMCURCQL-HYVNUMGLSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C(F)=C(C)C)[C@@H]2C1 ZINC001187510790 810402328 /nfs/dbraw/zinc/40/23/28/810402328.db2.gz MFWOUQYVAZXQTJ-QLFBSQMISA-N 1 1 294.414 3.137 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC001188592925 810491697 /nfs/dbraw/zinc/49/16/97/810491697.db2.gz PAILDBGVUIZSMJ-GOEBONIOSA-N 1 1 278.440 3.064 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](F)CC)[C@@H]2C1 ZINC001188801448 810515453 /nfs/dbraw/zinc/51/54/53/810515453.db2.gz SSDUJMVTWFWXCQ-ARFHVFGLSA-N 1 1 298.446 3.238 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)SC)C1 ZINC001189005585 810532384 /nfs/dbraw/zinc/53/23/84/810532384.db2.gz WBLXKBMPSHHMLS-CABCVRRESA-N 1 1 298.496 3.017 20 30 CGEDMO C=CCCC(=O)N1CC[C@@H]([N@@H+](C)C/C=C\c2ccccc2)C1 ZINC001189280051 810553623 /nfs/dbraw/zinc/55/36/23/810553623.db2.gz PUYQBIFQBVDOBU-IBWPDUFMSA-N 1 1 298.430 3.199 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C2CCCCCC2)C1 ZINC001189278884 810554514 /nfs/dbraw/zinc/55/45/14/810554514.db2.gz FGUBLQGAXPWUQK-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)/C=C/C(C)(C)C)C1 ZINC001189438331 810568726 /nfs/dbraw/zinc/56/87/26/810568726.db2.gz RUHUQWBDFAXGCU-AOOXPWSASA-N 1 1 292.467 3.476 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)/C=C\C(C)(C)C)C1 ZINC001189438332 810570121 /nfs/dbraw/zinc/57/01/21/810570121.db2.gz RUHUQWBDFAXGCU-PLLXSZFYSA-N 1 1 292.467 3.476 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)c2cscc2C)C1 ZINC001189565109 810577762 /nfs/dbraw/zinc/57/77/62/810577762.db2.gz LFXRGKGTMLQXKB-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO Cn1c[nH+]cc1CCSc1c(Cl)cccc1C#N ZINC001190011285 810603541 /nfs/dbraw/zinc/60/35/41/810603541.db2.gz VIFOXZFFWDJPGR-UHFFFAOYSA-N 1 1 277.780 3.280 20 30 CGEDMO C[N@@H+](CCC(C)(C)C)[C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190076302 810607044 /nfs/dbraw/zinc/60/70/44/810607044.db2.gz OLZLXOPIXNSFRK-OAHLLOKOSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)c2csc(C)c2C)C1 ZINC001190337543 810621180 /nfs/dbraw/zinc/62/11/80/810621180.db2.gz STXOPEMVRLZVNJ-CQSZACIVSA-N 1 1 292.448 3.087 20 30 CGEDMO CCCCCCCCNC(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001191061151 810668722 /nfs/dbraw/zinc/66/87/22/810668722.db2.gz JIDLHZXMYOQWLJ-MRXNPFEDSA-N 1 1 295.471 3.227 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)CC/C=C\CC)C1 ZINC001191683897 810730472 /nfs/dbraw/zinc/73/04/72/810730472.db2.gz MTMLJCNEMVQXAF-HLRDLLSLSA-N 1 1 292.467 3.478 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](F)CC)C1 ZINC001191763907 810737568 /nfs/dbraw/zinc/73/75/68/810737568.db2.gz QBJKUYYGEDVEJC-LSDHHAIUSA-N 1 1 286.435 3.238 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H](C=C)CC)C1 ZINC001191890880 810754462 /nfs/dbraw/zinc/75/44/62/810754462.db2.gz VQGKZAXDHYBPLF-HOTGVXAUSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[C@H]([N@H+](C)CCCCC)C1 ZINC001191891055 810754632 /nfs/dbraw/zinc/75/46/32/810754632.db2.gz WSKFZWXNTNBUMN-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C=C)CC)C1 ZINC001191890882 810754917 /nfs/dbraw/zinc/75/49/17/810754917.db2.gz VQGKZAXDHYBPLF-JKSUJKDBSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]([N@H+](C)CCCCCC)C1 ZINC001192094509 810768226 /nfs/dbraw/zinc/76/82/26/810768226.db2.gz SXGNMYGLJXNPKQ-INIZCTEOSA-N 1 1 280.456 3.456 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C2(C)CC=CC2)C1 ZINC001192153823 810771074 /nfs/dbraw/zinc/77/10/74/810771074.db2.gz WCLGCIZUOZFJJG-HOTGVXAUSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCCC1(C(=O)N2CC[C@@H]([N@H+](C)CC[C@H](C)F)C2)CC1 ZINC001192205033 810775088 /nfs/dbraw/zinc/77/50/88/810775088.db2.gz BQTLJUWIWCKLAT-LSDHHAIUSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)c2occc2Cl)C1 ZINC001192198676 810775125 /nfs/dbraw/zinc/77/51/25/810775125.db2.gz VFUUNDYGTIAYBI-GFCCVEGCSA-N 1 1 296.798 3.046 20 30 CGEDMO C=CCCC1(C(=O)N2CC[C@H]([N@H+](C)C[C@H](F)CC)C2)CC1 ZINC001192204979 810776366 /nfs/dbraw/zinc/77/63/66/810776366.db2.gz BBPJLSHTLIPRJA-CABCVRRESA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCCC1(C(=O)N2CC[C@H]([N@H+](C)CCC(C)C)C2)CC1 ZINC001192216936 810776771 /nfs/dbraw/zinc/77/67/71/810776771.db2.gz ABIFGTIUKZSZDS-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC[C@H]([N@H+](C)CCCCC)C2)C1 ZINC001192256362 810781313 /nfs/dbraw/zinc/78/13/13/810781313.db2.gz GUZXEKKUUFKNBU-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CCC)C(C)C)C1 ZINC001192610158 810810870 /nfs/dbraw/zinc/81/08/70/810810870.db2.gz AITJWLXOBMWIEJ-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)CC(C)(C)C)C1 ZINC001192688742 810816377 /nfs/dbraw/zinc/81/63/77/810816377.db2.gz ZBLPXMCVRDLUKV-GJZGRUSLSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[C@@H]([NH2+][C@@H](C)C1CCCCCC1)C(=O)OC ZINC001193259998 810867841 /nfs/dbraw/zinc/86/78/41/810867841.db2.gz DNUGWYOGNQEIRA-GXTWGEPZSA-N 1 1 253.386 3.053 20 30 CGEDMO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](C)C2(CCCCC2)C1 ZINC001193637636 810925569 /nfs/dbraw/zinc/92/55/69/810925569.db2.gz ZNYRXCSOOGWGNV-KGLIPLIRSA-N 1 1 265.397 3.006 20 30 CGEDMO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@@H](C)C2(CCCCC2)C1 ZINC001193637636 810925571 /nfs/dbraw/zinc/92/55/71/810925571.db2.gz ZNYRXCSOOGWGNV-KGLIPLIRSA-N 1 1 265.397 3.006 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)CCCCCC)C1 ZINC001193826132 810962289 /nfs/dbraw/zinc/96/22/89/810962289.db2.gz XKAOCGCTLKGKLK-CQSZACIVSA-N 1 1 286.847 3.242 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)CCCCCC)C1 ZINC001193826132 810962293 /nfs/dbraw/zinc/96/22/93/810962293.db2.gz XKAOCGCTLKGKLK-CQSZACIVSA-N 1 1 286.847 3.242 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)CCCCCC)C1 ZINC001193847300 810967783 /nfs/dbraw/zinc/96/77/83/810967783.db2.gz XHYBLKUWLZLGFK-MRXNPFEDSA-N 1 1 280.456 3.456 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)c2cc(C)c(C)s2)C1 ZINC001193898628 810975220 /nfs/dbraw/zinc/97/52/20/810975220.db2.gz VRUICSMHUSPLQV-AWEZNQCLSA-N 1 1 292.448 3.087 20 30 CGEDMO CCCCCCCOC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001194005629 810999947 /nfs/dbraw/zinc/99/99/47/810999947.db2.gz WLQDWQRZKACECJ-LSDHHAIUSA-N 1 1 282.428 3.119 20 30 CGEDMO CCCCCCCOC(=O)NCC[C@@H]1CCC[N@H+]1C ZINC001194013327 811001576 /nfs/dbraw/zinc/00/15/76/811001576.db2.gz VACWFURZDSQRQK-AWEZNQCLSA-N 1 1 270.417 3.167 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc(C)cc1 ZINC001194166068 811025219 /nfs/dbraw/zinc/02/52/19/811025219.db2.gz WRBMNFRPKMESEZ-IBGZPJMESA-N 1 1 279.383 3.164 20 30 CGEDMO CCCCCCCCOC(=O)NC[C@@H]1CCC[N@H+]1C ZINC001194748318 811122857 /nfs/dbraw/zinc/12/28/57/811122857.db2.gz RJRLYVQEKMCVRA-AWEZNQCLSA-N 1 1 270.417 3.167 20 30 CGEDMO CCCCCCCCOC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC001194753865 811123401 /nfs/dbraw/zinc/12/34/01/811123401.db2.gz UUGUTRLFTWUWBD-UHFFFAOYSA-N 1 1 295.427 3.061 20 30 CGEDMO CCCCCCCCCOC(=O)N1CC[N@H+]2CC[C@@H]2C1 ZINC001194913631 811168440 /nfs/dbraw/zinc/16/84/40/811168440.db2.gz FYJGLICVRXYXJF-OAHLLOKOSA-N 1 1 282.428 3.264 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](C3CCC3)C2)cc1 ZINC001195147480 811216658 /nfs/dbraw/zinc/21/66/58/811216658.db2.gz MUOJMXLFDKZPDN-QGZVFWFLSA-N 1 1 296.414 3.119 20 30 CGEDMO C#CCCCC(=O)N1CCC[N@H+](CC/C=C\CCC)CC1 ZINC001195675315 811277674 /nfs/dbraw/zinc/27/76/74/811277674.db2.gz WDCOMEMZAOHSTN-FPLPWBNLSA-N 1 1 290.451 3.071 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)/C=C(/C)CC)CC1 ZINC001195760325 811288334 /nfs/dbraw/zinc/28/83/34/811288334.db2.gz AIQAMSUIWDAHQM-YARYAAFXSA-N 1 1 278.440 3.232 20 30 CGEDMO C#CC[N@@H+](C[C@@H](OC(C)C)c1ccccc1)C1CSC1 ZINC001195976701 811307176 /nfs/dbraw/zinc/30/71/76/811307176.db2.gz AITRWDFBVRBTLQ-QGZVFWFLSA-N 1 1 289.444 3.203 20 30 CGEDMO C#CC[N@H+](C[C@@H](OC(C)C)c1ccccc1)C1CSC1 ZINC001195976701 811307184 /nfs/dbraw/zinc/30/71/84/811307184.db2.gz AITRWDFBVRBTLQ-QGZVFWFLSA-N 1 1 289.444 3.203 20 30 CGEDMO C=CC[C@@H](C(=O)OC)[N@H+]1CCC(C)(C)CC(C)(C)C1 ZINC001195995523 811309727 /nfs/dbraw/zinc/30/97/27/811309727.db2.gz RAOTXXOIWODIHL-ZDUSSCGKSA-N 1 1 267.413 3.252 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[N@H+](CCCCC)CC1 ZINC001196018477 811312363 /nfs/dbraw/zinc/31/23/63/811312363.db2.gz WCYHMRVSPWSEGB-UHFFFAOYSA-N 1 1 266.429 3.067 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H](CC)CCC)CC1 ZINC001197606088 811434077 /nfs/dbraw/zinc/43/40/77/811434077.db2.gz NBEADBMDDILIQR-MRXNPFEDSA-N 1 1 280.456 3.313 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](CCc2ccc(OC(F)(F)F)cc2)C1 ZINC001197701542 811447118 /nfs/dbraw/zinc/44/71/18/811447118.db2.gz KJFFAMIDGJJJMW-CQSZACIVSA-N 1 1 297.320 3.473 20 30 CGEDMO C#CC[N@H+]1CCCN(C(=O)CCCCCCCCC)CC1 ZINC001197928790 811465436 /nfs/dbraw/zinc/46/54/36/811465436.db2.gz SCQCDBUPZXJHDP-UHFFFAOYSA-N 1 1 292.467 3.295 20 30 CGEDMO C#CC[N@@H+]1CCCN(C(=O)CCCCCCCCC)CC1 ZINC001197928790 811465442 /nfs/dbraw/zinc/46/54/42/811465442.db2.gz SCQCDBUPZXJHDP-UHFFFAOYSA-N 1 1 292.467 3.295 20 30 CGEDMO COCC#CC[N@H+]1CCC[C@@]1(C)Cc1ccc(Cl)s1 ZINC001198300479 811489956 /nfs/dbraw/zinc/48/99/56/811489956.db2.gz NXSYTMPBNUSXLQ-HNNXBMFYSA-N 1 1 297.851 3.448 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)nc1 ZINC001198414149 811498491 /nfs/dbraw/zinc/49/84/91/811498491.db2.gz DGZCWMDJZHRBBN-CYBMUJFWSA-N 1 1 293.798 3.104 20 30 CGEDMO CC(C)(C)C[N@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001201443281 811850148 /nfs/dbraw/zinc/85/01/48/811850148.db2.gz RCXTZWSLUKNXNO-INIZCTEOSA-N 1 1 272.392 3.448 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](CC(CC)CC)CC2 ZINC001201526246 811883768 /nfs/dbraw/zinc/88/37/68/811883768.db2.gz UPXPZWOFSUJELC-SFHVURJKSA-N 1 1 292.467 3.456 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]2OCCC[C@@]2(COC)C1 ZINC001201776929 811965356 /nfs/dbraw/zinc/96/53/56/811965356.db2.gz PIKWMBKOSYZJER-IRXDYDNUSA-N 1 1 283.456 3.474 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1cncc(C)n1 ZINC001203170579 812259146 /nfs/dbraw/zinc/25/91/46/812259146.db2.gz LPGOPUUDIBNWMG-UHFFFAOYSA-N 1 1 267.376 3.363 20 30 CGEDMO COc1ccc(F)c(C[NH2+]Cc2cc(C#N)cs2)c1 ZINC001203206126 812267057 /nfs/dbraw/zinc/26/70/57/812267057.db2.gz AOCGVLGXJZDDCG-UHFFFAOYSA-N 1 1 276.336 3.057 20 30 CGEDMO Cc1ccn2cc(C[N@@H+](C)Cc3cccc(C#N)c3)nc2c1 ZINC001203764403 812458415 /nfs/dbraw/zinc/45/84/15/812458415.db2.gz FQOODTZNTBYVDI-UHFFFAOYSA-N 1 1 290.370 3.146 20 30 CGEDMO Cc1ccn2cc(C[N@H+](C)Cc3cccc(C#N)c3)nc2c1 ZINC001203764403 812458419 /nfs/dbraw/zinc/45/84/19/812458419.db2.gz FQOODTZNTBYVDI-UHFFFAOYSA-N 1 1 290.370 3.146 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)cc1 ZINC001203900272 812485947 /nfs/dbraw/zinc/48/59/47/812485947.db2.gz WYPLVLSIGHRBAG-KGLIPLIRSA-N 1 1 262.303 3.035 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1ccc(OC)c(OCC)c1 ZINC001204190516 812571060 /nfs/dbraw/zinc/57/10/60/812571060.db2.gz BMVSDTWBXSRAIO-UHFFFAOYSA-N 1 1 276.380 3.220 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1ccc(OC)c(OCC)c1 ZINC001204190516 812571065 /nfs/dbraw/zinc/57/10/65/812571065.db2.gz BMVSDTWBXSRAIO-UHFFFAOYSA-N 1 1 276.380 3.220 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCCC[C@@H]2C(C)=O)cc1 ZINC001204303185 812605354 /nfs/dbraw/zinc/60/53/54/812605354.db2.gz BJZZBTSWINPWDH-QGZVFWFLSA-N 1 1 273.376 3.195 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCCC[C@@H]2C(C)=O)cc1 ZINC001204303185 812605358 /nfs/dbraw/zinc/60/53/58/812605358.db2.gz BJZZBTSWINPWDH-QGZVFWFLSA-N 1 1 273.376 3.195 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC001204370315 812622756 /nfs/dbraw/zinc/62/27/56/812622756.db2.gz YHMZCJFBFRZXOO-GOSISDBHSA-N 1 1 296.345 3.351 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC001204370315 812622761 /nfs/dbraw/zinc/62/27/61/812622761.db2.gz YHMZCJFBFRZXOO-GOSISDBHSA-N 1 1 296.345 3.351 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccccc2OC(F)(F)F)C1 ZINC001204427971 812635830 /nfs/dbraw/zinc/63/58/30/812635830.db2.gz FZMYFENYRMXPSQ-GFCCVEGCSA-N 1 1 283.293 3.430 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccccc2OC(F)(F)F)C1 ZINC001204427971 812635834 /nfs/dbraw/zinc/63/58/34/812635834.db2.gz FZMYFENYRMXPSQ-GFCCVEGCSA-N 1 1 283.293 3.430 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@H](CCC)OC ZINC001204487657 812654110 /nfs/dbraw/zinc/65/41/10/812654110.db2.gz DJYBGLHEGZEZAM-INIZCTEOSA-N 1 1 263.356 3.076 20 30 CGEDMO Cc1ccc(-c2ccc(C[NH+]3CCOCC3)cc2)c(C#N)c1 ZINC001242591967 823049468 /nfs/dbraw/zinc/04/94/68/823049468.db2.gz JRHVMPBMKBQJKS-UHFFFAOYSA-N 1 1 292.382 3.366 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(Cl)ccc1OCC ZINC001205569141 813006720 /nfs/dbraw/zinc/00/67/20/813006720.db2.gz QMNRZZRNWGLZHJ-LLVKDONJSA-N 1 1 251.757 3.192 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1cc(Cl)ccc1OCC ZINC001205569141 813006730 /nfs/dbraw/zinc/00/67/30/813006730.db2.gz QMNRZZRNWGLZHJ-LLVKDONJSA-N 1 1 251.757 3.192 20 30 CGEDMO C=CCCCCCCCN1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205760531 813069429 /nfs/dbraw/zinc/06/94/29/813069429.db2.gz BBESEEMADDHNFW-AWEZNQCLSA-N 1 1 274.399 3.429 20 30 CGEDMO CCCCCCCCCCCCN1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001205939885 813141979 /nfs/dbraw/zinc/14/19/79/813141979.db2.gz VIFNWLURIDKBDW-IAGOWNOFSA-N 1 1 284.488 3.301 20 30 CGEDMO Cc1nc(C[NH+]2CCC(c3cccc(C#N)c3)CC2)co1 ZINC001206068283 813189198 /nfs/dbraw/zinc/18/91/98/813189198.db2.gz TVFJRKNULDVOPO-UHFFFAOYSA-N 1 1 281.359 3.234 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@H](F)[C@@H](N)CC2)CC1 ZINC001206153764 813216298 /nfs/dbraw/zinc/21/62/98/813216298.db2.gz FNGKDBVONFWEIE-OAGGEKHMSA-N 1 1 266.404 3.050 20 30 CGEDMO Cc1csc2nc(C)c(C[NH2+]CC3(C#N)CCCC3)n12 ZINC001206516619 813339365 /nfs/dbraw/zinc/33/93/65/813339365.db2.gz ABQWYNMXOHBLPF-UHFFFAOYSA-N 1 1 288.420 3.186 20 30 CGEDMO C=CC[N@H+](Cc1ncccc1OC)C1CCCCC1 ZINC001206665138 813393480 /nfs/dbraw/zinc/39/34/80/813393480.db2.gz DBYGXTCTIKFLHJ-UHFFFAOYSA-N 1 1 260.381 3.411 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1Nc1ncc(C#N)cc1Cl ZINC001206714273 813405300 /nfs/dbraw/zinc/40/53/00/813405300.db2.gz FTSPHRAURZPLLD-UHFFFAOYSA-N 1 1 287.754 3.120 20 30 CGEDMO Cc1cc(C[NH+]2CCC(C#Cc3ccccc3)CC2)no1 ZINC001206821829 813445996 /nfs/dbraw/zinc/44/59/96/813445996.db2.gz BDIHPYAGESVEJQ-UHFFFAOYSA-N 1 1 280.371 3.247 20 30 CGEDMO Cn1cc(C[N@@H+](C)C/C=C/c2ccccc2)cc1C#N ZINC001207109853 813486575 /nfs/dbraw/zinc/48/65/75/813486575.db2.gz XIYXXVUEDXCTQJ-RMKNXTFCSA-N 1 1 265.360 3.042 20 30 CGEDMO Cc1ccc(CCC[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)o1 ZINC001207952057 813678153 /nfs/dbraw/zinc/67/81/53/813678153.db2.gz IGZAGOOGFRCXDP-QKDCVEJESA-N 1 1 258.365 3.287 20 30 CGEDMO C#CC[N@H+](CC1(C)CCOCC1)[C@@H]1CCc2ccccc21 ZINC001207969879 813682567 /nfs/dbraw/zinc/68/25/67/813682567.db2.gz UDXHUTPATDBCOL-GOSISDBHSA-N 1 1 283.415 3.426 20 30 CGEDMO C=CCOC(=O)N[C@@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC001208093146 813691309 /nfs/dbraw/zinc/69/13/09/813691309.db2.gz MQWCMLLOPFHRHU-MRXNPFEDSA-N 1 1 294.439 3.333 20 30 CGEDMO CCCCCCC/C=C/C[N@@H+](C)CCC(=O)OC ZINC001208124101 813698037 /nfs/dbraw/zinc/69/80/37/813698037.db2.gz JLUHYAQSKZXNJI-ZHACJKMWSA-N 1 1 255.402 3.398 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CC[C@]2(CCNC2=O)C1 ZINC001208120010 813698307 /nfs/dbraw/zinc/69/83/07/813698307.db2.gz KOBBAFUHCYYMQO-KBOKABMXSA-N 1 1 278.440 3.115 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@](O)(C(F)(F)F)C2)CC1 ZINC001208170966 813724467 /nfs/dbraw/zinc/72/44/67/813724467.db2.gz OKJJONGKKGYAFT-ZIAGYGMSSA-N 1 1 289.341 3.288 20 30 CGEDMO C=C(C)[C@@H]1CC=C(CN2CCC[N@H+]3CCC[C@@H]3C2)CC1 ZINC001208177748 813729379 /nfs/dbraw/zinc/72/93/79/813729379.db2.gz YSQNXBALVVKELK-QZTJIDSGSA-N 1 1 274.452 3.459 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)CC1 ZINC001208178829 813730812 /nfs/dbraw/zinc/73/08/12/813730812.db2.gz XQXNSCQABRRWAN-QZTJIDSGSA-N 1 1 274.452 3.317 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)CC1 ZINC001208178829 813730815 /nfs/dbraw/zinc/73/08/15/813730815.db2.gz XQXNSCQABRRWAN-QZTJIDSGSA-N 1 1 274.452 3.317 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](F)C(C)C)C1 ZINC001208360561 813756986 /nfs/dbraw/zinc/75/69/86/813756986.db2.gz RVCMAQHXLOZBJO-BZUAXINKSA-N 1 1 298.446 3.163 20 30 CGEDMO N#Cc1ccccc1OC1C[NH+](CCC2CCCC2)C1 ZINC001208698402 813803724 /nfs/dbraw/zinc/80/37/24/813803724.db2.gz HSZMEZHLXPRILB-UHFFFAOYSA-N 1 1 270.376 3.202 20 30 CGEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](CCCC(C)C)C2 ZINC001208734028 813822990 /nfs/dbraw/zinc/82/29/90/813822990.db2.gz YVYCEFRVGWLGTL-QZTJIDSGSA-N 1 1 295.467 3.496 20 30 CGEDMO CCCC[N@@H+](CCC#N)CCc1ccc(OC)c(OC)c1 ZINC001208756362 813835826 /nfs/dbraw/zinc/83/58/26/813835826.db2.gz OEWPPVNCPDNVBQ-UHFFFAOYSA-N 1 1 290.407 3.262 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](CCCc2ccc(F)cc2)C1 ZINC001208769807 813836389 /nfs/dbraw/zinc/83/63/89/813836389.db2.gz FRYOBZJOBMZMCN-HNNXBMFYSA-N 1 1 260.356 3.384 20 30 CGEDMO N#C[C@H]1CCC[N@H+](CCCc2ccc(F)cc2)CC1 ZINC001208770956 813839308 /nfs/dbraw/zinc/83/93/08/813839308.db2.gz PYFPCFBYMTYMGP-HNNXBMFYSA-N 1 1 260.356 3.384 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC(C)C)C1 ZINC001208838236 813860931 /nfs/dbraw/zinc/86/09/31/813860931.db2.gz PNSAYXDAPVHZNC-HZPDHXFCSA-N 1 1 280.456 3.215 20 30 CGEDMO N#Cc1cccc(CCC[NH+]2CC(Oc3ccccc3)C2)c1 ZINC001208853411 813866149 /nfs/dbraw/zinc/86/61/49/813866149.db2.gz LOKCVDZKJZLLRF-UHFFFAOYSA-N 1 1 292.382 3.254 20 30 CGEDMO C[N@@H+](CCCc1ccc(C#N)cc1)Cc1cncs1 ZINC001208864777 813873472 /nfs/dbraw/zinc/87/34/72/813873472.db2.gz SXJAFMUKFSBXSV-UHFFFAOYSA-N 1 1 271.389 3.079 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001208867699 813875327 /nfs/dbraw/zinc/87/53/27/813875327.db2.gz HQXJUDGLEPOIDN-ARFHVFGLSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCOC(=O)N[C@@H]1CCC[N@H+](CC2(C)CCCCC2)C1 ZINC001208907502 813895450 /nfs/dbraw/zinc/89/54/50/813895450.db2.gz KBIFGKQSERUKMF-OAHLLOKOSA-N 1 1 294.439 3.333 20 30 CGEDMO CC[N@@H+](CCc1ccc(C#N)cc1)Cc1cccnc1 ZINC001208926163 813901536 /nfs/dbraw/zinc/90/15/36/813901536.db2.gz HNIPKSWZPKEJEL-UHFFFAOYSA-N 1 1 265.360 3.018 20 30 CGEDMO C=CCN(CC[N@H+](CCC)CCCC)C(=O)OCC ZINC001209022325 813917052 /nfs/dbraw/zinc/91/70/52/813917052.db2.gz VRJOWAJCCSZLMZ-UHFFFAOYSA-N 1 1 270.417 3.143 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](CCc2cc(F)cc(F)c2)CC1 ZINC001209139585 813946817 /nfs/dbraw/zinc/94/68/17/813946817.db2.gz CHIZOXXOLAVYRI-GFCCVEGCSA-N 1 1 264.319 3.133 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001209158395 813950625 /nfs/dbraw/zinc/95/06/25/813950625.db2.gz MZTBXEKPVMFUCR-QGZVFWFLSA-N 1 1 294.439 3.428 20 30 CGEDMO C=CCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1CC ZINC001209160339 813951078 /nfs/dbraw/zinc/95/10/78/813951078.db2.gz ROPKSYMPODOWOT-CQSZACIVSA-N 1 1 282.428 3.284 20 30 CGEDMO C=CCCC[N@@H+]1CCc2ncc(C(F)(F)F)cc2C1 ZINC001209160415 813951505 /nfs/dbraw/zinc/95/15/05/813951505.db2.gz YNGVKCVALJWZSY-UHFFFAOYSA-N 1 1 270.298 3.425 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](CC(=O)OC(C)(C)C)C1 ZINC001209163716 813954195 /nfs/dbraw/zinc/95/41/95/813954195.db2.gz IPMRRUVOZFSFFX-CYBMUJFWSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CCCCC[N@@H+]1C[C@H]2CN(Cc3cccs3)C[C@H]2C1 ZINC001209199751 813963733 /nfs/dbraw/zinc/96/37/33/813963733.db2.gz AJWIWXNEQJEBGB-IYBDPMFKSA-N 1 1 290.476 3.468 20 30 CGEDMO C=CCCCC[N@@H+]1C[C@@H](NC(=O)OC(C)(C)C)C2(CC2)C1 ZINC001209201756 813964901 /nfs/dbraw/zinc/96/49/01/813964901.db2.gz QNZSBTXRDWEWNX-CQSZACIVSA-N 1 1 294.439 3.332 20 30 CGEDMO C=CCCCC[N@H+]1Cc2ccccc2[C@@H](C(=O)OC)C1 ZINC001209207064 813968808 /nfs/dbraw/zinc/96/88/08/813968808.db2.gz JZVPIVVLCGDXAI-INIZCTEOSA-N 1 1 273.376 3.115 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)[C@H]1C ZINC001209261523 813987361 /nfs/dbraw/zinc/98/73/61/813987361.db2.gz CEAKNRLXDOGQPP-CABCVRRESA-N 1 1 294.439 3.025 20 30 CGEDMO C#CCCC[N@@H+]1CC=C(c2ccc(OC)cc2)CC1 ZINC001209267829 813990368 /nfs/dbraw/zinc/99/03/68/813990368.db2.gz MESDBYKIAIHDRS-UHFFFAOYSA-N 1 1 255.361 3.198 20 30 CGEDMO C=CC1(CC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)CCCCC1 ZINC001209405897 814016484 /nfs/dbraw/zinc/01/64/84/814016484.db2.gz FMTGNYBVDCZFGQ-HZPDHXFCSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCCCC[N@H+](C)CCc1noc(C(C)C)n1 ZINC001209422967 814026202 /nfs/dbraw/zinc/02/62/02/814026202.db2.gz ARVPXBXIMZRYLP-UHFFFAOYSA-N 1 1 265.401 3.414 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](Oc2ncc(C)cn2)C1 ZINC001209432509 814033833 /nfs/dbraw/zinc/03/38/33/814033833.db2.gz FWYVYPLWGFPMKO-INIZCTEOSA-N 1 1 289.423 3.375 20 30 CGEDMO C=CCCCCCCCN1CC[N@H+]2CCC[C@@H]2C1 ZINC001209439386 814040076 /nfs/dbraw/zinc/04/00/76/814040076.db2.gz NXFQCDBKIHQWNG-MRXNPFEDSA-N 1 1 250.430 3.293 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CC[C@@H](N(C)C(C)=O)C1 ZINC001209445179 814044870 /nfs/dbraw/zinc/04/48/70/814044870.db2.gz GJOVQZMYEQWGTQ-QGZVFWFLSA-N 1 1 280.456 3.456 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC001209444409 814045254 /nfs/dbraw/zinc/04/52/54/814045254.db2.gz QBDWGDPPZKNEDR-HNNXBMFYSA-N 1 1 287.469 3.022 20 30 CGEDMO C#Cc1ccc(NC(=O)NCC[N@@H+]2CCCC[C@H]2CC)cc1 ZINC001210354453 814418008 /nfs/dbraw/zinc/41/80/08/814418008.db2.gz BNCOQUMCIOWORX-QGZVFWFLSA-N 1 1 299.418 3.054 20 30 CGEDMO Cc1cc(C#N)cc(Nc2cc[nH+]cc2C(F)(F)F)c1 ZINC001210386842 814437222 /nfs/dbraw/zinc/43/72/22/814437222.db2.gz ASJIMNWBBYQZLE-UHFFFAOYSA-N 1 1 277.249 3.446 20 30 CGEDMO C[N@H+]1CCc2ccc(Nc3ccccc3C#N)cc2C1 ZINC001210741327 814605807 /nfs/dbraw/zinc/60/58/07/814605807.db2.gz NYVMGOIGSBDYMQ-UHFFFAOYSA-N 1 1 263.344 3.290 20 30 CGEDMO CCCCCCC[C@H](C)OCCCC[C@H]([NH3+])C(=O)OC ZINC001217840566 815974992 /nfs/dbraw/zinc/97/49/92/815974992.db2.gz FYJDMHRPIRABGS-GJZGRUSLSA-N 1 1 287.444 3.423 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2ccncn2)cc1 ZINC001242920642 823172507 /nfs/dbraw/zinc/17/25/07/823172507.db2.gz GGMROPQJJVHHQV-QGZVFWFLSA-N 1 1 265.360 3.467 20 30 CGEDMO C=CC[C@@H](CCCC)Oc1nc(CC)nc2c1C[NH2+]C2 ZINC001218439266 816213146 /nfs/dbraw/zinc/21/31/46/816213146.db2.gz ROGKXRVWJCXEAI-LBPRGKRZSA-N 1 1 275.396 3.156 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C=C(C)C)[C@@H]2C1 ZINC001221240336 816306745 /nfs/dbraw/zinc/30/67/45/816306745.db2.gz GZWSNAZVCBQWGF-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CC3CCCC3)[C@@H]2C1 ZINC001221234523 816306965 /nfs/dbraw/zinc/30/69/65/816306965.db2.gz OFMHHVNWYMQTRT-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CC(C)=C(C)C)[C@@H]2C1 ZINC001221744267 816325549 /nfs/dbraw/zinc/32/55/49/816325549.db2.gz LTIHCICNDOOTNO-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)CCC)[C@@H]2C1 ZINC001221783262 816328716 /nfs/dbraw/zinc/32/87/16/816328716.db2.gz GLUAZDRCDLJFSH-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC(C)(C)C(=O)N1C[C@H]2CC[N@H+](C[C@@H](C)CC)C[C@H]21 ZINC001221838058 816329444 /nfs/dbraw/zinc/32/94/44/816329444.db2.gz QCOCTLLQVCUGRL-ARFHVFGLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CC(CC)CC)[C@@H]2C1 ZINC001221897630 816333520 /nfs/dbraw/zinc/33/35/20/816333520.db2.gz BNBCJCYNMXBRFO-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@](C)(CC)CCC)[C@@H]2C1 ZINC001221896957 816334352 /nfs/dbraw/zinc/33/43/52/816334352.db2.gz UWHJXNMULDPLNV-JFIYKMOQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)CC(C)C)[C@@H]2C1 ZINC001221929198 816335395 /nfs/dbraw/zinc/33/53/95/816335395.db2.gz WDJCQGDDACYNDZ-BRWVUGGUSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)C(C)(C)C)[C@@H]2C1 ZINC001221979345 816338513 /nfs/dbraw/zinc/33/85/13/816338513.db2.gz YSWQTDWKTRXQBK-ARFHVFGLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]2CC[N@H+](CCCCCF)[C@H]2C1 ZINC001222432196 816443939 /nfs/dbraw/zinc/44/39/39/816443939.db2.gz HVFQOVGXZXXHDW-CVEARBPZSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](c2ccccc2)C2(CNC2)C1 ZINC001222595556 816474673 /nfs/dbraw/zinc/47/46/73/816474673.db2.gz CREWDNLEZSEKKO-SFHVURJKSA-N 1 1 284.447 3.422 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H](c2ccccc2)C2(CNC2)C1 ZINC001222595556 816474676 /nfs/dbraw/zinc/47/46/76/816474676.db2.gz CREWDNLEZSEKKO-SFHVURJKSA-N 1 1 284.447 3.422 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)/C=C(\C)CC)C[C@@H]21 ZINC001222640824 816489133 /nfs/dbraw/zinc/48/91/33/816489133.db2.gz UUHNOMDUFOLCDM-CRMBIJGISA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)[C@@H](C)CCC)CC1 ZINC001222668797 816495343 /nfs/dbraw/zinc/49/53/43/816495343.db2.gz XUBUJDNDAASVJU-LBPRGKRZSA-N 1 1 286.847 3.003 20 30 CGEDMO N#Cc1ccc(CO[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC001223285933 816598575 /nfs/dbraw/zinc/59/85/75/816598575.db2.gz HYLOKCUJGVJYQI-HNNXBMFYSA-N 1 1 298.411 3.411 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)CC(C)C)C[C@@H]21 ZINC001223770669 816679717 /nfs/dbraw/zinc/67/97/17/816679717.db2.gz XCYHNNFCNCDGGB-BBWFWOEESA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CCCOC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001224279034 816765533 /nfs/dbraw/zinc/76/55/33/816765533.db2.gz LIGMYYHGBGRPTE-SFHVURJKSA-N 1 1 289.419 3.260 20 30 CGEDMO C=C(C)CCCOC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001224279034 816765535 /nfs/dbraw/zinc/76/55/35/816765535.db2.gz LIGMYYHGBGRPTE-SFHVURJKSA-N 1 1 289.419 3.260 20 30 CGEDMO CCOC(=[NH2+])CCCCOC1CCC(C#N)CC1 ZINC001224963162 816918648 /nfs/dbraw/zinc/91/86/48/816918648.db2.gz HOLJAVDBEZUFKR-UHFFFAOYSA-N 1 1 252.358 3.269 20 30 CGEDMO C=C[C@@H](CCC)OC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001224960706 816918558 /nfs/dbraw/zinc/91/85/58/816918558.db2.gz FZMPMCUBNPQGSR-ROUUACIJSA-N 1 1 289.419 3.259 20 30 CGEDMO C=C[C@@H](CCC)OC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001224960706 816918562 /nfs/dbraw/zinc/91/85/62/816918562.db2.gz FZMPMCUBNPQGSR-ROUUACIJSA-N 1 1 289.419 3.259 20 30 CGEDMO N#CCc1ccc(O[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC001225264591 816986313 /nfs/dbraw/zinc/98/63/13/816986313.db2.gz JTOCWEVSXWCHQN-IBGZPJMESA-N 1 1 292.382 3.406 20 30 CGEDMO CC[NH+]1CC(Oc2ccc(-c3ccc(C#N)cc3)cc2)C1 ZINC001225331541 817014339 /nfs/dbraw/zinc/01/43/39/817014339.db2.gz BFSSFEBJXSXINP-UHFFFAOYSA-N 1 1 278.355 3.308 20 30 CGEDMO Cc1ccc(C#N)c(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)n1 ZINC001225866024 817198754 /nfs/dbraw/zinc/19/87/54/817198754.db2.gz TXTFTAJHOQSREB-ZSHCYNCHSA-N 1 1 285.391 3.044 20 30 CGEDMO C#C[C@@H](CC(C)C)Oc1cc(N)[nH+]c2ccccc21 ZINC001226423384 817352889 /nfs/dbraw/zinc/35/28/89/817352889.db2.gz WJGUFJWSZTWRFF-LBPRGKRZSA-N 1 1 254.333 3.244 20 30 CGEDMO CC[N@H+]1CCC[C@H](Oc2nc3ccccc3c(C)c2C#N)C1 ZINC001226444884 817358244 /nfs/dbraw/zinc/35/82/44/817358244.db2.gz PJPPMMYMCBDOMT-AWEZNQCLSA-N 1 1 295.386 3.278 20 30 CGEDMO Cc1ccc(C#N)cc1O[C@H]1CCC[N@H+](C(C)C)C1 ZINC001226878109 817492321 /nfs/dbraw/zinc/49/23/21/817492321.db2.gz OLUUFRPXOWYVEM-HNNXBMFYSA-N 1 1 258.365 3.118 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H](Oc2ccc(C#N)c(Cl)c2)C1 ZINC001227209827 817593050 /nfs/dbraw/zinc/59/30/50/817593050.db2.gz SUFISSBJERGPQQ-CQSZACIVSA-N 1 1 278.783 3.463 20 30 CGEDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ccc(C#N)c(Cl)c1 ZINC001227210671 817593356 /nfs/dbraw/zinc/59/33/56/817593356.db2.gz YGYUZYZERTUIPX-VIKVFOODSA-N 1 1 290.794 3.321 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)C2(CC(C)C)CC2)CC1 ZINC001227745902 817711007 /nfs/dbraw/zinc/71/10/07/817711007.db2.gz RCTNKNKYZQVSOW-UHFFFAOYSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CCc1ccccc1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001228843874 818020310 /nfs/dbraw/zinc/02/03/10/818020310.db2.gz KTMRLXNMPWSQHD-MUJYYYPQSA-N 1 1 257.377 3.419 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@H](C)CCC ZINC001231129193 818038680 /nfs/dbraw/zinc/03/86/80/818038680.db2.gz AKRZCGRVRPBQBA-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO CCCCCCC[N@@H+](C)CCCNC(=O)c1ccncc1 ZINC001231196707 818056345 /nfs/dbraw/zinc/05/63/45/818056345.db2.gz PRPFWZGGQMPAEU-UHFFFAOYSA-N 1 1 291.439 3.104 20 30 CGEDMO C=C(C)C(=O)Nc1ccc(O[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC001231315048 818074393 /nfs/dbraw/zinc/07/43/93/818074393.db2.gz KEITUVUPJOLNGO-INIZCTEOSA-N 1 1 288.391 3.063 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CCc3ccc(C(C)=O)cc3C2)c1 ZINC001231660329 818151496 /nfs/dbraw/zinc/15/14/96/818151496.db2.gz CKWFYOXQFNEFSR-UHFFFAOYSA-N 1 1 289.378 3.429 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CCc3ccc(C(C)=O)cc3C2)c1 ZINC001231660329 818151501 /nfs/dbraw/zinc/15/15/01/818151501.db2.gz CKWFYOXQFNEFSR-UHFFFAOYSA-N 1 1 289.378 3.429 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CCn3cccc3[C@@H]2C)c1 ZINC001231662457 818153771 /nfs/dbraw/zinc/15/37/71/818153771.db2.gz GECZFKFYLZLZKQ-AWEZNQCLSA-N 1 1 250.345 3.046 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CCn3cccc3[C@@H]2C)c1 ZINC001231662457 818153773 /nfs/dbraw/zinc/15/37/73/818153773.db2.gz GECZFKFYLZLZKQ-AWEZNQCLSA-N 1 1 250.345 3.046 20 30 CGEDMO C#CC[NH+](CC#C)Cc1ccc(OC(C)C)c(Cl)c1 ZINC001231714255 818159366 /nfs/dbraw/zinc/15/93/66/818159366.db2.gz WHQVFRDIZLMMOD-UHFFFAOYSA-N 1 1 275.779 3.196 20 30 CGEDMO Cc1cc(C)c(C[N@H+]2CCC[C@@H](C#N)CC2)c(O)c1 ZINC001231846376 818187481 /nfs/dbraw/zinc/18/74/81/818187481.db2.gz KJUYONDMFKJPKS-CQSZACIVSA-N 1 1 258.365 3.135 20 30 CGEDMO Cc1cc(C[N@@H+]2CCc3cc(C#N)ccc3C2)cc(C)n1 ZINC001231996773 818226696 /nfs/dbraw/zinc/22/66/96/818226696.db2.gz GNYIPRNOOWOZJM-UHFFFAOYSA-N 1 1 277.371 3.128 20 30 CGEDMO Cc1cc(C[N@H+]2CCc3cc(C#N)ccc3C2)cc(C)n1 ZINC001231996773 818226700 /nfs/dbraw/zinc/22/67/00/818226700.db2.gz GNYIPRNOOWOZJM-UHFFFAOYSA-N 1 1 277.371 3.128 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(Cl)c2)CC[C@]1(C)O ZINC001232112427 818258912 /nfs/dbraw/zinc/25/89/12/818258912.db2.gz WAAUVVDAGHUHDU-WBMJQRKESA-N 1 1 292.810 3.195 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1ccc(N)nc1 ZINC001232368380 818327434 /nfs/dbraw/zinc/32/74/34/818327434.db2.gz GWSCFVCZWXWBHW-UHFFFAOYSA-N 1 1 267.376 3.242 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2c[nH]c3nccc(Cl)c23)C1 ZINC001232459698 818355325 /nfs/dbraw/zinc/35/53/25/818355325.db2.gz JRNSZICVSGKKRW-LLVKDONJSA-N 1 1 288.782 3.342 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)ccn1)C(C)(C)Cc1ccccc1 ZINC001232480442 818364214 /nfs/dbraw/zinc/36/42/14/818364214.db2.gz WYZJKZVVKUFYRD-UHFFFAOYSA-N 1 1 279.387 3.406 20 30 CGEDMO CCC[N@@H+](Cc1ccccc1)Cc1cc(C#N)ccn1 ZINC001232479871 818365045 /nfs/dbraw/zinc/36/50/45/818365045.db2.gz AKBGLJPRLKVNSN-UHFFFAOYSA-N 1 1 265.360 3.365 20 30 CGEDMO C#CC[N@H+](C)Cc1cc(C)c(Br)c(C)c1 ZINC001232522358 818377277 /nfs/dbraw/zinc/37/72/77/818377277.db2.gz ZWSFGCDTQJSDSK-UHFFFAOYSA-N 1 1 266.182 3.131 20 30 CGEDMO C=CC[N@@H+](C)Cc1cc(OCc2ccccc2)ccn1 ZINC001232588185 818392585 /nfs/dbraw/zinc/39/25/85/818392585.db2.gz PJKHBRFDOVODCG-UHFFFAOYSA-N 1 1 268.360 3.278 20 30 CGEDMO C=CC[N@H+](C)Cc1cc(OCc2ccccc2)ccn1 ZINC001232588185 818392588 /nfs/dbraw/zinc/39/25/88/818392588.db2.gz PJKHBRFDOVODCG-UHFFFAOYSA-N 1 1 268.360 3.278 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(-n3cccn3)cc2Cl)C1 ZINC001232599195 818393102 /nfs/dbraw/zinc/39/31/02/818393102.db2.gz UWUUZYVZGMVYSP-CQSZACIVSA-N 1 1 299.805 3.371 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2cccc3c2CCCC3)C1 ZINC001232639215 818408178 /nfs/dbraw/zinc/40/81/78/818408178.db2.gz XEXBWEQOWTUIGZ-CQSZACIVSA-N 1 1 254.377 3.301 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2cccc3c2CCCC3)C1 ZINC001232639215 818408184 /nfs/dbraw/zinc/40/81/84/818408184.db2.gz XEXBWEQOWTUIGZ-CQSZACIVSA-N 1 1 254.377 3.301 20 30 CGEDMO C[N@@H+](Cc1ccc(F)cc1F)Cc1cc(C#N)ccc1[O-] ZINC001232678065 818417705 /nfs/dbraw/zinc/41/77/05/818417705.db2.gz PEKFJEDLDDIDGO-UHFFFAOYSA-N 1 1 288.297 3.174 20 30 CGEDMO CN(Cc1ccc(F)cc1F)Cc1cc(C#N)ccc1[O-] ZINC001232678065 818417712 /nfs/dbraw/zinc/41/77/12/818417712.db2.gz PEKFJEDLDDIDGO-UHFFFAOYSA-N 1 1 288.297 3.174 20 30 CGEDMO C[C@@H]1CC[N@H+](Cc2ccc(Br)c(C#N)c2)C1 ZINC001232893322 818466477 /nfs/dbraw/zinc/46/64/77/818466477.db2.gz GAPZWVKGLCGVTJ-SNVBAGLBSA-N 1 1 279.181 3.163 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(Br)c(C#N)c2)C1 ZINC001232893322 818466484 /nfs/dbraw/zinc/46/64/84/818466484.db2.gz GAPZWVKGLCGVTJ-SNVBAGLBSA-N 1 1 279.181 3.163 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)n1)C12CC3CC(CC(C3)C1)C2 ZINC001232924431 818473627 /nfs/dbraw/zinc/47/36/27/818473627.db2.gz BEYKIYRAHSHXFD-UHFFFAOYSA-N 1 1 281.403 3.354 20 30 CGEDMO Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(C#N)c1 ZINC001232967465 818485905 /nfs/dbraw/zinc/48/59/05/818485905.db2.gz NCDWVIYSBLUYND-FFGGFLGDSA-N 1 1 265.360 3.133 20 30 CGEDMO Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(C#N)c1 ZINC001232967465 818485909 /nfs/dbraw/zinc/48/59/09/818485909.db2.gz NCDWVIYSBLUYND-FFGGFLGDSA-N 1 1 265.360 3.133 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(C#N)c2F)[C@H]1C ZINC001233100544 818521601 /nfs/dbraw/zinc/52/16/01/818521601.db2.gz JPENXQZJTZNMDR-OLZOCXBDSA-N 1 1 289.398 3.384 20 30 CGEDMO N#CCC[N@@H+](Cc1cccc2c1CCO2)C1CCCC1 ZINC001233276630 818561620 /nfs/dbraw/zinc/56/16/20/818561620.db2.gz TYDPECTURHCCMR-UHFFFAOYSA-N 1 1 270.376 3.280 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc3cccnc3s2)C1 ZINC001233348977 818592110 /nfs/dbraw/zinc/59/21/10/818592110.db2.gz YMPILQHRVVWEGT-GFCCVEGCSA-N 1 1 256.374 3.142 20 30 CGEDMO N#Cc1ccc(CN2Cc3ccc(Cl)cc3C2)c([O-])c1 ZINC001233387056 818606164 /nfs/dbraw/zinc/60/61/64/818606164.db2.gz SAMQVTCBGDFRIU-UHFFFAOYSA-N 1 1 284.746 3.433 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3ccccn3)C2)c(O)c1 ZINC001233386002 818607556 /nfs/dbraw/zinc/60/75/56/818607556.db2.gz ATLFDOBLJQBRBA-HNNXBMFYSA-N 1 1 293.370 3.038 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3ccccn3)C2)c(O)c1 ZINC001233386002 818607561 /nfs/dbraw/zinc/60/75/61/818607561.db2.gz ATLFDOBLJQBRBA-HNNXBMFYSA-N 1 1 293.370 3.038 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)Cc1ccsc1 ZINC001233516045 818631528 /nfs/dbraw/zinc/63/15/28/818631528.db2.gz AJAWRJHPMJUIFH-CQSZACIVSA-N 1 1 294.464 3.083 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](Oc2cc(C#N)cc(C(F)(F)F)c2)C1 ZINC001233657572 818672680 /nfs/dbraw/zinc/67/26/80/818672680.db2.gz ZOBDQBAEKKNUGX-ZDUSSCGKSA-N 1 1 298.308 3.439 20 30 CGEDMO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC/C=C/CCC ZINC001233966627 818742792 /nfs/dbraw/zinc/74/27/92/818742792.db2.gz NPYHIFBKDFNZOL-KBOKABMXSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)CCCNC(=O)CCCCC ZINC001233977946 818745093 /nfs/dbraw/zinc/74/50/93/818745093.db2.gz LHKXQBPIXUSHGL-OAHLLOKOSA-N 1 1 268.445 3.360 20 30 CGEDMO CCCCCCC[N@@H+](C)CCCNC(=O)C(C)C ZINC001234088577 818775782 /nfs/dbraw/zinc/77/57/82/818775782.db2.gz LIQYMUXVDIDYRO-UHFFFAOYSA-N 1 1 256.434 3.051 20 30 CGEDMO CCCCCCC[N@@H+](C)CCCNC(=O)[C@H](C)CC ZINC001234136533 818788427 /nfs/dbraw/zinc/78/84/27/818788427.db2.gz GVJPYZGOUCQIJU-OAHLLOKOSA-N 1 1 270.461 3.441 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C(C)=C1CCC1 ZINC001234152293 818793750 /nfs/dbraw/zinc/79/37/50/818793750.db2.gz UZXPBVWDTNISIU-PBHICJAKSA-N 1 1 290.451 3.374 20 30 CGEDMO C[N@H+]1CCc2c(cccc2OC2CCC(C#N)CC2)C1 ZINC001234420125 818849895 /nfs/dbraw/zinc/84/98/95/818849895.db2.gz KWEYWJHKZHKLCI-UHFFFAOYSA-N 1 1 270.376 3.136 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc[nH]c1 ZINC001234437905 818854449 /nfs/dbraw/zinc/85/44/49/818854449.db2.gz YNLBAKIOPMSFOJ-INIZCTEOSA-N 1 1 291.439 3.131 20 30 CGEDMO C=CCC(CC=C)C(=O)N(C)C[C@H]1CC[N@@H+]1C[C@H](C)CC ZINC001234509797 818869859 /nfs/dbraw/zinc/86/98/59/818869859.db2.gz PXCBOTSPWIZMRH-NVXWUHKLSA-N 1 1 292.467 3.334 20 30 CGEDMO C=CCC(CC=C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC[C@H](C)F ZINC001234518948 818872294 /nfs/dbraw/zinc/87/22/94/818872294.db2.gz YMLINLYCPXNYKV-HOCLYGCPSA-N 1 1 296.430 3.036 20 30 CGEDMO C=CC(C)(C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1C[C@@H](C)CC ZINC001234536675 818877196 /nfs/dbraw/zinc/87/71/96/818877196.db2.gz GQGVQOQSTGOXBD-GJZGRUSLSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CC2CC1(C[NH3+])C2 ZINC001235006692 818976114 /nfs/dbraw/zinc/97/61/14/818976114.db2.gz GPNYXBBBBNBKFN-UHFFFAOYSA-N 1 1 250.430 3.326 20 30 CGEDMO C=CCCCCCCCC[N@H+]1CC2CC1(CN)C2 ZINC001235006692 818976122 /nfs/dbraw/zinc/97/61/22/818976122.db2.gz GPNYXBBBBNBKFN-UHFFFAOYSA-N 1 1 250.430 3.326 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CC2CC1(CN)C2 ZINC001235006692 818976129 /nfs/dbraw/zinc/97/61/29/818976129.db2.gz GPNYXBBBBNBKFN-UHFFFAOYSA-N 1 1 250.430 3.326 20 30 CGEDMO C=CCCCCCCCCN1CC2CC1(C[NH3+])C2 ZINC001235006692 818976133 /nfs/dbraw/zinc/97/61/33/818976133.db2.gz GPNYXBBBBNBKFN-UHFFFAOYSA-N 1 1 250.430 3.326 20 30 CGEDMO C=CCCCCCCCN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001235256722 819052679 /nfs/dbraw/zinc/05/26/79/819052679.db2.gz SVBKXWDAVVONPB-CVEARBPZSA-N 1 1 250.430 3.197 20 30 CGEDMO C=C(C)[C@@H]1CC=C(CN2CC[C@]3(C2)C[NH2+]CC[C@H]3F)CC1 ZINC001235411028 819089455 /nfs/dbraw/zinc/08/94/55/819089455.db2.gz ZSFUCMXGXZDUCW-KZNAEPCWSA-N 1 1 292.442 3.313 20 30 CGEDMO C=CCCC(=O)NCCC[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC001235452023 819102554 /nfs/dbraw/zinc/10/25/54/819102554.db2.gz UEIAEHQHVWNEEI-UHFFFAOYSA-N 1 1 299.418 3.072 20 30 CGEDMO C=CCCC(=O)NCCC[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001235451077 819102737 /nfs/dbraw/zinc/10/27/37/819102737.db2.gz BXURCOKCLXEIRD-QGZVFWFLSA-N 1 1 286.419 3.078 20 30 CGEDMO CCCCCCC[N@@H+](C)CC[C@H]1COC(C)(C)N1 ZINC001235661930 819132522 /nfs/dbraw/zinc/13/25/22/819132522.db2.gz ANKNLWBGUBHZLY-AWEZNQCLSA-N 1 1 256.434 3.003 20 30 CGEDMO C=CCCC[N@H+]1CCN[C@@H](c2ccc(Cl)cc2)C1 ZINC001235789742 819168790 /nfs/dbraw/zinc/16/87/90/819168790.db2.gz MTWCPLZEHZAZSS-OAHLLOKOSA-N 1 1 264.800 3.253 20 30 CGEDMO C=CCCCN1CC[NH2+][C@@H](c2ccc(Cl)cc2)C1 ZINC001235789742 819168797 /nfs/dbraw/zinc/16/87/97/819168797.db2.gz MTWCPLZEHZAZSS-OAHLLOKOSA-N 1 1 264.800 3.253 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCc3cc(N)ccc3C2)cc1 ZINC001236106089 819323262 /nfs/dbraw/zinc/32/32/62/819323262.db2.gz YECKJMBDXAVNOV-UHFFFAOYSA-N 1 1 294.398 3.392 20 30 CGEDMO C=CCCCCC[N@@H+]1CCNC[C@@H]1c1cccs1 ZINC001236113202 819326442 /nfs/dbraw/zinc/32/64/42/819326442.db2.gz HHPULMCDRMEONI-CQSZACIVSA-N 1 1 264.438 3.441 20 30 CGEDMO C=CCCCCC[N@H+]1CCNC[C@@H]1c1cccs1 ZINC001236113202 819326446 /nfs/dbraw/zinc/32/64/46/819326446.db2.gz HHPULMCDRMEONI-CQSZACIVSA-N 1 1 264.438 3.441 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(F)cc(C(=O)OC)c1 ZINC001236781018 819592912 /nfs/dbraw/zinc/59/29/12/819592912.db2.gz FPHOIEARVIAEJP-UHFFFAOYSA-N 1 1 265.328 3.010 20 30 CGEDMO CCc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)c(O)c1 ZINC001236789553 819595989 /nfs/dbraw/zinc/59/59/89/819595989.db2.gz XVJKMEPLNOEONV-UHFFFAOYSA-N 1 1 280.371 3.458 20 30 CGEDMO COc1cc(O)c(C[N@H+]2CCC[C@H](CC#N)C2)c(Cl)c1 ZINC001236804764 819602700 /nfs/dbraw/zinc/60/27/00/819602700.db2.gz YFJBBBPQUZRWKH-LLVKDONJSA-N 1 1 294.782 3.180 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(F)c(N3CCCC3)c2)C1 ZINC001237088012 819663696 /nfs/dbraw/zinc/66/36/96/819663696.db2.gz ALJDVZZYXRCSCC-OAHLLOKOSA-N 1 1 286.394 3.271 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1ccc(F)c2cccnc12 ZINC001237432847 819750306 /nfs/dbraw/zinc/75/03/06/819750306.db2.gz VZRFADGKHMFLMW-UHFFFAOYSA-N 1 1 271.339 3.500 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1ccc(F)c2cccnc12 ZINC001237432847 819750310 /nfs/dbraw/zinc/75/03/10/819750310.db2.gz VZRFADGKHMFLMW-UHFFFAOYSA-N 1 1 271.339 3.500 20 30 CGEDMO Cc1cccc(O)c1C[N@@H+](CCC#N)C1CCCC1 ZINC001237489999 819763567 /nfs/dbraw/zinc/76/35/67/819763567.db2.gz OSHHKZWRQULMSI-UHFFFAOYSA-N 1 1 258.365 3.359 20 30 CGEDMO CC(C)[N@@H+](Cc1cc(C#N)c(F)cc1F)C1CCOCC1 ZINC001237528995 819772271 /nfs/dbraw/zinc/77/22/71/819772271.db2.gz FRFCUIKFTKSOIH-UHFFFAOYSA-N 1 1 294.345 3.226 20 30 CGEDMO Cc1cc(C[NH+]2CC(CC#N)C2)ccc1OC(C)C ZINC001237717973 819820297 /nfs/dbraw/zinc/82/02/97/819820297.db2.gz PYEQLAGUZPNTOD-UHFFFAOYSA-N 1 1 258.365 3.128 20 30 CGEDMO CC[N@@H+](C)C1CCN(Cc2cc(Cl)cc(C#N)c2)CC1 ZINC001237755343 819838373 /nfs/dbraw/zinc/83/83/73/819838373.db2.gz MMTPOBHFHFQMPP-UHFFFAOYSA-N 1 1 291.826 3.128 20 30 CGEDMO C[C@H]1C[C@H]2C[N@@H+](Cc3ccc(C#N)cc3Cl)CC[C@H]2O1 ZINC001238082080 819926261 /nfs/dbraw/zinc/92/62/61/819926261.db2.gz FPFXVSXOXCOHNB-HZUKXOBISA-N 1 1 290.794 3.211 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)Cc1cnc(F)c(OC)c1 ZINC001238451177 820002322 /nfs/dbraw/zinc/00/23/22/820002322.db2.gz NKLLLHXBXRYQOV-UHFFFAOYSA-N 1 1 286.350 3.418 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cnc(F)c(OC)c1 ZINC001238451177 820002333 /nfs/dbraw/zinc/00/23/33/820002333.db2.gz NKLLLHXBXRYQOV-UHFFFAOYSA-N 1 1 286.350 3.418 20 30 CGEDMO N#CCC1C[NH+](Cc2ccc(F)c(-c3ccncc3)c2)C1 ZINC001238551651 820042481 /nfs/dbraw/zinc/04/24/81/820042481.db2.gz MRQQAPNXSHGTBS-UHFFFAOYSA-N 1 1 281.334 3.233 20 30 CGEDMO COc1cc(C)cc(F)c1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001238590517 820053796 /nfs/dbraw/zinc/05/37/96/820053796.db2.gz GOZBCSNKNAROGO-CYBMUJFWSA-N 1 1 276.355 3.268 20 30 CGEDMO COc1cc(C)cc(F)c1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001238590517 820053808 /nfs/dbraw/zinc/05/38/08/820053808.db2.gz GOZBCSNKNAROGO-CYBMUJFWSA-N 1 1 276.355 3.268 20 30 CGEDMO Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CC[C@H](C#N)C1 ZINC001238664661 820072826 /nfs/dbraw/zinc/07/28/26/820072826.db2.gz OEUYGGDTGKFLOD-OAHLLOKOSA-N 1 1 272.392 3.436 20 30 CGEDMO Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CC[C@H](C#N)C1 ZINC001238664661 820072834 /nfs/dbraw/zinc/07/28/34/820072834.db2.gz OEUYGGDTGKFLOD-OAHLLOKOSA-N 1 1 272.392 3.436 20 30 CGEDMO CCc1cc(C[N@H+]2CCC[C@@]3(CCOC3)C2)ccc1C#N ZINC001238760101 820110085 /nfs/dbraw/zinc/11/00/85/820110085.db2.gz DPZQMRIMFXQQMR-GOSISDBHSA-N 1 1 284.403 3.123 20 30 CGEDMO CCc1cc(C[N@H+]2CC[C@H](COCC3CC3)C2)ccc1C#N ZINC001238770166 820112396 /nfs/dbraw/zinc/11/23/96/820112396.db2.gz YSVVHLKJISCWAC-KRWDZBQOSA-N 1 1 298.430 3.369 20 30 CGEDMO CCc1cc(C[N@H+]2CCCOC(C)(C)C2)ccc1C#N ZINC001238777856 820116406 /nfs/dbraw/zinc/11/64/06/820116406.db2.gz JFXRRGDGVUKZQZ-UHFFFAOYSA-N 1 1 272.392 3.122 20 30 CGEDMO CCc1cc(C[N@@H+]2CCc3ccncc3C2)ccc1C#N ZINC001238778955 820116446 /nfs/dbraw/zinc/11/64/46/820116446.db2.gz RCXXSSPXNXPSOJ-UHFFFAOYSA-N 1 1 277.371 3.074 20 30 CGEDMO CCc1cc(C[N@H+]2CCc3ccncc3C2)ccc1C#N ZINC001238778955 820116463 /nfs/dbraw/zinc/11/64/63/820116463.db2.gz RCXXSSPXNXPSOJ-UHFFFAOYSA-N 1 1 277.371 3.074 20 30 CGEDMO N#Cc1ccc(-c2ccccc2C[NH+]2CCOCC2)cc1F ZINC001240155183 820863319 /nfs/dbraw/zinc/86/33/19/820863319.db2.gz XZYRUICBPZJJLM-UHFFFAOYSA-N 1 1 296.345 3.197 20 30 CGEDMO Cc1cc(N)[nH+]cc1-c1ccnc2ccc(C#N)cc21 ZINC001242085569 822341857 /nfs/dbraw/zinc/34/18/57/822341857.db2.gz XWABDGAIDXBTEK-UHFFFAOYSA-N 1 1 260.300 3.059 20 30 CGEDMO C#Cc1ccc(-c2ccc(C[N@H+](C)C3CC3)cn2)cc1 ZINC001242293873 822941662 /nfs/dbraw/zinc/94/16/62/822941662.db2.gz RMJMEASSGADVRO-UHFFFAOYSA-N 1 1 262.356 3.324 20 30 CGEDMO C#Cc1ccc(-c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC001242295748 822941981 /nfs/dbraw/zinc/94/19/81/822941981.db2.gz SVOIZSLYKFUGEN-UHFFFAOYSA-N 1 1 277.367 3.167 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2cccnc2C#N)nc1 ZINC001242311561 822947637 /nfs/dbraw/zinc/94/76/37/822947637.db2.gz QAIUBWHIXCACHM-CQSZACIVSA-N 1 1 292.386 3.390 20 30 CGEDMO C[N@H+]1CCCC[C@@H]1c1ccc(-c2cccnc2C#N)nc1 ZINC001242311591 822947915 /nfs/dbraw/zinc/94/79/15/822947915.db2.gz REUQOAZOWBHESB-QGZVFWFLSA-N 1 1 278.359 3.172 20 30 CGEDMO Cc1cc(-c2ccc([C@H]3CC[N@H+](C)C3)cc2)cnc1C#N ZINC001242357851 822964980 /nfs/dbraw/zinc/96/49/80/822964980.db2.gz RCKXSSSKEIPJHU-INIZCTEOSA-N 1 1 277.371 3.348 20 30 CGEDMO Cc1cc(C#N)ccc1-c1c[nH+]c(N(C)C)cc1C ZINC001242473376 823004503 /nfs/dbraw/zinc/00/45/03/823004503.db2.gz XLUDBHAGWZRUIT-UHFFFAOYSA-N 1 1 251.333 3.303 20 30 CGEDMO Cc1ccc(C#N)cc1-c1c[nH+]c(N(C)C)cc1C ZINC001242541444 823024729 /nfs/dbraw/zinc/02/47/29/823024729.db2.gz GTQHPUHDQPQJRK-UHFFFAOYSA-N 1 1 251.333 3.303 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)c2ccsc2)C[C@@H]1C ZINC001328223195 935125220 /nfs/dbraw/zinc/12/52/20/935125220.db2.gz LVUKMUZJHNEYQL-ZFWWWQNUSA-N 1 1 292.448 3.297 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC001342324353 936464972 /nfs/dbraw/zinc/46/49/72/936464972.db2.gz HKMSSHOKNZHGDR-MRXNPFEDSA-N 1 1 284.359 3.119 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC001342324353 936464973 /nfs/dbraw/zinc/46/49/73/936464973.db2.gz HKMSSHOKNZHGDR-MRXNPFEDSA-N 1 1 284.359 3.119 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1ccc(C(=O)N2CCCC2)cc1 ZINC001342386867 936466246 /nfs/dbraw/zinc/46/62/46/936466246.db2.gz MOBGDLACPCRTFG-QGZVFWFLSA-N 1 1 284.403 3.073 20 30 CGEDMO C=C(C)C[N@@H+](C)CCCNC(=O)C1(C)C(C)(C)C1(C)C ZINC001479818024 936540637 /nfs/dbraw/zinc/54/06/37/936540637.db2.gz PIWHVYVYKANHPX-UHFFFAOYSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[N@@H+]1CCCN(Cc2ccc(C)cc2)CC1 ZINC001344689051 936541500 /nfs/dbraw/zinc/54/15/00/936541500.db2.gz ODEGQBZWJVTGMW-UHFFFAOYSA-N 1 1 258.409 3.079 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](CN2C(=O)C[C@@H]2Cc2ccccc2)C1 ZINC001350480701 936992559 /nfs/dbraw/zinc/99/25/59/936992559.db2.gz YIWLSEZGCASJAW-ROUUACIJSA-N 1 1 298.430 3.076 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[N@H+](C)CC[C@H]1CCC[C@@H](C)C1 ZINC001480898677 926761231 /nfs/dbraw/zinc/76/12/31/926761231.db2.gz ATPJGZFWYHPFCN-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[N@H+](CC)CCNC(=O)[C@H]1CCCC[C@@H]1CC ZINC001481008346 926858272 /nfs/dbraw/zinc/85/82/72/926858272.db2.gz PACGQWWNKLMTJS-HOTGVXAUSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)Cc1ccc(C)s1 ZINC001481019308 926859455 /nfs/dbraw/zinc/85/94/55/926859455.db2.gz OBLSBQLIVJWELV-UHFFFAOYSA-N 1 1 294.464 3.003 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccsc1 ZINC001481054403 926873977 /nfs/dbraw/zinc/87/39/77/926873977.db2.gz ZGSAXZSXOAPTMS-AWEZNQCLSA-N 1 1 292.448 3.041 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CCNC(=O)c1ccsc1)C1CC1 ZINC001481157766 926898880 /nfs/dbraw/zinc/89/88/80/926898880.db2.gz XWEUXKLBIVLYLQ-ZDUSSCGKSA-N 1 1 292.448 3.297 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)[C@@]1(C)CCC[C@@H]1C)C(C)C ZINC001481354623 926964254 /nfs/dbraw/zinc/96/42/54/926964254.db2.gz VAJXNNNJCOOVIE-RDJZCZTQSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)[C@@H]1CCC[C@H]1CC)C(C)C ZINC001481354395 926965474 /nfs/dbraw/zinc/96/54/74/926965474.db2.gz QNFJAFKNHLKYJB-HZPDHXFCSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[C@@H]2CC)CC1 ZINC001481518270 927011192 /nfs/dbraw/zinc/01/11/92/927011192.db2.gz OLCCLGXHJICTQG-IRXDYDNUSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)CCC=C(C)C)C1 ZINC001481693116 927061045 /nfs/dbraw/zinc/06/10/45/927061045.db2.gz FFLQOZLUAGIIBK-CVEARBPZSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)CCCCC)C1 ZINC001481709601 927068798 /nfs/dbraw/zinc/06/87/98/927068798.db2.gz YNKXMYVTXNHHHR-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC1(C(=O)N(C)[C@H]2CC[N@@H+](CCCF)C2)CCCC1 ZINC001481754930 927077854 /nfs/dbraw/zinc/07/78/54/927077854.db2.gz UVAOZZFNIHZKPU-HNNXBMFYSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cscc1C ZINC001498254504 927130734 /nfs/dbraw/zinc/13/07/34/927130734.db2.gz LSWLFMYBEDFLFW-CYBMUJFWSA-N 1 1 280.437 3.073 20 30 CGEDMO CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](CC)CC(C)C ZINC001505452611 927283910 /nfs/dbraw/zinc/28/39/10/927283910.db2.gz KOTRGWGHIKQOKD-SJORKVTESA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)/C=C\c1ccco1 ZINC001482576180 927300465 /nfs/dbraw/zinc/30/04/65/927300465.db2.gz OXNPYPBGPPMRBF-JQPIKURYSA-N 1 1 290.407 3.038 20 30 CGEDMO C=CC[N@H+](C)CCN(C)C(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001482638110 927331821 /nfs/dbraw/zinc/33/18/21/927331821.db2.gz MTXCKLHZKJDORH-WKILWMFISA-N 1 1 280.456 3.025 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)[C@H]1CCCC[C@H]1CC ZINC001482639640 927333038 /nfs/dbraw/zinc/33/30/38/927333038.db2.gz PSGVXHFIZGQSMW-CVEARBPZSA-N 1 1 280.456 3.169 20 30 CGEDMO C#CCC[N@H+](C)CCN(C)C(=O)C[C@@H](C)C1CCCCC1 ZINC001482634967 927334221 /nfs/dbraw/zinc/33/42/21/927334221.db2.gz OWKTZHYGLGODHF-MRXNPFEDSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)CCC(=C)C)CC[C@H]21 ZINC001482659990 927341209 /nfs/dbraw/zinc/34/12/09/927341209.db2.gz UZTVFOOSISTSSP-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)CCCC)C(C)(C)C1 ZINC001506737602 927403793 /nfs/dbraw/zinc/40/37/93/927403793.db2.gz FDHLJKDNVRDUGT-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@@H]2C2CCCCC2)CCC1 ZINC001307421488 927460115 /nfs/dbraw/zinc/46/01/15/927460115.db2.gz GYRGHLZPCOOPFZ-DLBZAZTESA-N 1 1 290.451 3.476 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)c1ccoc1CC ZINC001483330830 927484016 /nfs/dbraw/zinc/48/40/16/927484016.db2.gz HPPXVYGRUIVULW-ZIAGYGMSSA-N 1 1 292.423 3.247 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)c1cccc2cc[nH]c21 ZINC001483388505 927496608 /nfs/dbraw/zinc/49/66/08/927496608.db2.gz REGVTTDIPYHLME-CQSZACIVSA-N 1 1 299.418 3.184 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1CC[N@H+]1CC1CCCCCC1 ZINC001483672462 927565008 /nfs/dbraw/zinc/56/50/08/927565008.db2.gz UETQTUFKFYNURS-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC001483699678 927579825 /nfs/dbraw/zinc/57/98/25/927579825.db2.gz QAOOUFVORSYMCS-KRWDZBQOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CCCCC(=O)N1CCCC[C@@H]1[C@@H]1CC[N@H+](CC)C1 ZINC001483801687 927626144 /nfs/dbraw/zinc/62/61/44/927626144.db2.gz KXNIWHYMWGDSIL-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+](CCNC(=O)C1=CCCC1)C1CCCCCC1 ZINC001483815336 927628252 /nfs/dbraw/zinc/62/82/52/927628252.db2.gz WGMZEVLCVLEEGT-UHFFFAOYSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CCCCC(=O)N1CC[C@]2(CC[N@H+](C[C@H](C)CC)C2)C1 ZINC001483846150 927633809 /nfs/dbraw/zinc/63/38/09/927633809.db2.gz UFCJBWIJNSGUGU-AEFFLSMTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)c2coc(C)c2)C1 ZINC001484040677 927666666 /nfs/dbraw/zinc/66/66/66/927666666.db2.gz APWXRHKCYQNRQQ-CXAGYDPISA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@](C)(NC(=O)C2CC3(CCC3)C2)C1 ZINC001484055659 927669769 /nfs/dbraw/zinc/66/97/69/927669769.db2.gz CBQUAQSBGMDTKA-KRWDZBQOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](F)CC)C1 ZINC001484055546 927669936 /nfs/dbraw/zinc/66/99/36/927669936.db2.gz ZJDUIQJGXBUPBK-GOEBONIOSA-N 1 1 284.419 3.062 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)c2cccs2)C1 ZINC001484149673 927684087 /nfs/dbraw/zinc/68/40/87/927684087.db2.gz CDHXPFCGPXGPSP-MRXNPFEDSA-N 1 1 292.448 3.156 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@]1(C)CCC[N@H+](CC=C(C)C)C1 ZINC001484168423 927687460 /nfs/dbraw/zinc/68/74/60/927687460.db2.gz TVIRLMAFVIEFFS-SFHVURJKSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC001484391681 927699809 /nfs/dbraw/zinc/69/98/09/927699809.db2.gz WRTLKGLWXTXSPQ-KYHPRHEASA-N 1 1 292.467 3.356 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)C[C@@H](C)CCC)C[C@H]2C1 ZINC001484404662 927702003 /nfs/dbraw/zinc/70/20/03/927702003.db2.gz MLSCGPNACVGTBP-YESZJQIVSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)CCC2(C)CC2)CC1 ZINC001484723754 927742148 /nfs/dbraw/zinc/74/21/48/927742148.db2.gz JVHNGCNMLUXUMT-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC(=O)N(C)CCC[N@@H+](C)Cc1cccc(C)c1 ZINC001484734547 927748508 /nfs/dbraw/zinc/74/85/08/927748508.db2.gz DUYRINOWXZKXPC-UHFFFAOYSA-N 1 1 288.435 3.242 20 30 CGEDMO C=CC[N@H+](C)CCCN(C)C(=O)C[C@@H](CC)C(C)(C)C ZINC001484764796 927750597 /nfs/dbraw/zinc/75/05/97/927750597.db2.gz ODBBZLOXECNPCF-OAHLLOKOSA-N 1 1 282.472 3.415 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]([C@H]2CCC[N@H+](CC)C2)C1 ZINC001484770569 927756907 /nfs/dbraw/zinc/75/69/07/927756907.db2.gz GWJRDWYCXCKZMK-IRXDYDNUSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC(=O)NC[C@H]1Cc2ccccc2C[N@@H+]1CC(=C)C ZINC001484821810 927761579 /nfs/dbraw/zinc/76/15/79/927761579.db2.gz HRDLECXSZAHVTA-GOSISDBHSA-N 1 1 298.430 3.072 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](CCC(=C)C)CC1(C)C ZINC001484938453 927774728 /nfs/dbraw/zinc/77/47/28/927774728.db2.gz BTAKOLVANBBAAH-HNNXBMFYSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[N@H+](CC(=C)Cl)[C@H](C)C1 ZINC001484976027 927781466 /nfs/dbraw/zinc/78/14/66/927781466.db2.gz KNGHCAPCRKWOIR-ZIAGYGMSSA-N 1 1 284.831 3.064 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[N@@H+](CC(=C)Cl)[C@H](C)C1 ZINC001484976027 927781469 /nfs/dbraw/zinc/78/14/69/927781469.db2.gz KNGHCAPCRKWOIR-ZIAGYGMSSA-N 1 1 284.831 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CC2(C)CC2)C[C@@H]1C ZINC001484978998 927784162 /nfs/dbraw/zinc/78/41/62/927784162.db2.gz LNTBJSTZBOBPIC-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)/C(C)=C/C ZINC001485055904 927793398 /nfs/dbraw/zinc/79/33/98/927793398.db2.gz NDYYNLLHRJQSEC-JEYQBLLFSA-N 1 1 278.440 3.230 20 30 CGEDMO C#CCC[N@H+](CCCNC(=O)[C@]1(C)CCC[C@@H]1C)C(C)C ZINC001493871779 927803003 /nfs/dbraw/zinc/80/30/03/927803003.db2.gz YAVWCUUANAYITR-FUHWJXTLSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CCC[N@H+](C)[C@H](C)CNC(=O)[C@H](CC)CC1CCCC1 ZINC001485357218 927856042 /nfs/dbraw/zinc/85/60/42/927856042.db2.gz QTGPYVKJZFDLQU-NVXWUHKLSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)C(C)=C1CCCC1 ZINC001485477081 927877322 /nfs/dbraw/zinc/87/73/22/927877322.db2.gz FGGVHZAQXLXGMN-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)CCCCC(C)C)C(C)(C)C1 ZINC001485579266 927889847 /nfs/dbraw/zinc/88/98/47/927889847.db2.gz JOVCYMBPGLLQGL-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCC(C)C)[C@@H]2C1 ZINC001485587936 927892356 /nfs/dbraw/zinc/89/23/56/927892356.db2.gz UUWLSMIHBQJFIN-VQHPVUNQSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCCCCC)C[C@@H]2C1 ZINC001485656564 927896207 /nfs/dbraw/zinc/89/62/07/927896207.db2.gz DYFDBRMGVGQULN-BBWFWOEESA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC(=O)N1CCC([N@H+](C)CCCCCC)CC1 ZINC001485754632 927913114 /nfs/dbraw/zinc/91/31/14/927913114.db2.gz KWANDBXYEYTOQF-UHFFFAOYSA-N 1 1 280.456 3.456 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@](C)(F)CCCC)CC1 ZINC001485760912 927915724 /nfs/dbraw/zinc/91/57/24/927915724.db2.gz RPDYUQUZSXERTM-QGZVFWFLSA-N 1 1 298.446 3.404 20 30 CGEDMO C#CCC[N@H+](C)C1CCN(C(=O)C[C@@H](CC)C(C)C)CC1 ZINC001485766287 927919400 /nfs/dbraw/zinc/91/94/00/927919400.db2.gz FWMKOARPWWODGU-MRXNPFEDSA-N 1 1 292.467 3.005 20 30 CGEDMO CC#CC[N@H+](C)CCN(C(=O)CC[C@H](C)CC)C(C)C ZINC001486377422 928012448 /nfs/dbraw/zinc/01/24/48/928012448.db2.gz AZVDUOFHPJRUHS-MRXNPFEDSA-N 1 1 280.456 3.005 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)C2(C)CCCCC2)CC1 ZINC001486515275 928029303 /nfs/dbraw/zinc/02/93/03/928029303.db2.gz UOJVNLZOILXBIX-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)C[C@H]2C=CCCC2)CC1 ZINC001486509659 928031697 /nfs/dbraw/zinc/03/16/97/928031697.db2.gz UWJZQFBBJXVWBM-INIZCTEOSA-N 1 1 288.435 3.057 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCCC[C@@](C)(C(=O)OCC)C2)cc1 ZINC001144568428 928198589 /nfs/dbraw/zinc/19/85/89/928198589.db2.gz VBLLGPSUJNOKRT-LJQANCHMSA-N 1 1 299.414 3.223 20 30 CGEDMO C#Cc1ccc(C[N@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)cc1 ZINC001144568478 928198705 /nfs/dbraw/zinc/19/87/05/928198705.db2.gz WQKXIDWPGMSXQE-OALUTQOASA-N 1 1 287.362 3.080 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@]2(C1)CCCCO2 ZINC001171208804 928201402 /nfs/dbraw/zinc/20/14/02/928201402.db2.gz FBZZYRRTDSSXTP-QAPCUYQASA-N 1 1 284.403 3.134 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCC ZINC001325899913 928261706 /nfs/dbraw/zinc/26/17/06/928261706.db2.gz OBVUZXFQWYBVIB-HZPDHXFCSA-N 1 1 278.440 3.208 20 30 CGEDMO C=C(C)C[N@H+](CCNC(=O)[C@@H](C)[C@@H](C)C(C)(C)C)C1CC1 ZINC001317557657 928275514 /nfs/dbraw/zinc/27/55/14/928275514.db2.gz GMTQCSZBKZJHQD-LSDHHAIUSA-N 1 1 294.483 3.461 20 30 CGEDMO CC[N@@H+](Cc1cc2ccc(F)cc2[nH]c1=O)C[C@@H](C)C#N ZINC001364686144 937234522 /nfs/dbraw/zinc/23/45/22/937234522.db2.gz ZVQBVSFJWREUJH-NSHDSACASA-N 1 1 287.338 3.061 20 30 CGEDMO CC[N@H+](Cc1cc2ccc(F)cc2[nH]c1=O)C[C@@H](C)C#N ZINC001364686144 937234524 /nfs/dbraw/zinc/23/45/24/937234524.db2.gz ZVQBVSFJWREUJH-NSHDSACASA-N 1 1 287.338 3.061 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C=C(CC)CC)[C@H]1CC ZINC001489111322 928314306 /nfs/dbraw/zinc/31/43/06/928314306.db2.gz PRDAIOQSBVVRMX-JKSUJKDBSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CC[C@@H](C)CC)[C@H]1CC ZINC001489136692 928317029 /nfs/dbraw/zinc/31/70/29/928317029.db2.gz YMHJYGDHBJGDMI-HRCADAONSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)C2=CCCCCC2)C1 ZINC001480726159 937236135 /nfs/dbraw/zinc/23/61/35/937236135.db2.gz XHHXIODEOYVAHJ-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C#CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](CCC)C(C)C)C1 ZINC001480737134 937236275 /nfs/dbraw/zinc/23/62/75/937236275.db2.gz WBVQYTDJXITMCX-DLBZAZTESA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCCCCC)[C@H]1C ZINC001489306207 928323277 /nfs/dbraw/zinc/32/32/77/928323277.db2.gz UJDBHZSOEZACFN-CABCVRRESA-N 1 1 266.429 3.112 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1coc(C)c1 ZINC001489323732 928328412 /nfs/dbraw/zinc/32/84/12/928328412.db2.gz XKGXDKSMQIYOGC-INIZCTEOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)CCCNC(=O)[C@H]1CCCC12CC2 ZINC001490331219 928346053 /nfs/dbraw/zinc/34/60/53/928346053.db2.gz KXWIUPITUXHZQH-CQSZACIVSA-N 1 1 298.858 3.147 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)CCC2CC2)C1 ZINC001490434363 928362909 /nfs/dbraw/zinc/36/29/09/928362909.db2.gz PVIMZEJSCDRGIW-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001490559186 928371052 /nfs/dbraw/zinc/37/10/52/928371052.db2.gz SPAJVWUWLYAXJT-SJLPKXTDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCCN(C(=O)/C(C)=C\C)C1 ZINC001490756652 928386401 /nfs/dbraw/zinc/38/64/01/928386401.db2.gz VKKVFKBXPDYAKV-OSCUNPKOSA-N 1 1 292.467 3.478 20 30 CGEDMO CC[N@@H+](CCCC1CCC1)CCNC(=O)C#CC(C)(C)C ZINC001492950540 937244759 /nfs/dbraw/zinc/24/47/59/937244759.db2.gz VOQCKGVFDWAMBL-UHFFFAOYSA-N 1 1 292.467 3.054 20 30 CGEDMO C[N@@H+](CCOC1CCCCC1)Cc1cc(C#N)cs1 ZINC000933770654 928635734 /nfs/dbraw/zinc/63/57/34/928635734.db2.gz QOSDQLQMQIBEFK-UHFFFAOYSA-N 1 1 278.421 3.401 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([NH2+]Cc2c(F)cc(Cl)cc2F)C1 ZINC001254643945 928779196 /nfs/dbraw/zinc/77/91/96/928779196.db2.gz SGWBQQZWGWOYQP-PSASIEDQSA-N 1 1 270.710 3.400 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)CCCCC)C1 ZINC001491090375 928831520 /nfs/dbraw/zinc/83/15/20/928831520.db2.gz UKQFDYRWUTWYKZ-CQSZACIVSA-N 1 1 286.847 3.147 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)CCCCC)C1 ZINC001491090375 928831530 /nfs/dbraw/zinc/83/15/30/928831530.db2.gz UKQFDYRWUTWYKZ-CQSZACIVSA-N 1 1 286.847 3.147 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](CNC(=O)CCC(C)C)C1 ZINC001491089282 928831731 /nfs/dbraw/zinc/83/17/31/928831731.db2.gz KYCJCTPDLKZCCN-MRXNPFEDSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC1(C(=O)N[C@@H](C)C[N@H+](C)CCCC)CCCC1 ZINC001450672162 937386654 /nfs/dbraw/zinc/38/66/54/937386654.db2.gz JVUKFOKLOJCFNI-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCCC[N@@H+]1CCCC[C@@H]1COC(=O)NC(C)C ZINC001460059402 937514434 /nfs/dbraw/zinc/51/44/34/937514434.db2.gz FGGNKPVDKXLQKE-OAHLLOKOSA-N 1 1 282.428 3.332 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC001460271003 937524392 /nfs/dbraw/zinc/52/43/92/937524392.db2.gz RJBCYIWLKJYRLM-KGLIPLIRSA-N 1 1 267.413 3.395 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CC[C@H](N(C)CCc2ccccc2)C1 ZINC001460373287 937529779 /nfs/dbraw/zinc/52/97/79/937529779.db2.gz YFAZVZNLULXHMX-AEFFLSMTSA-N 1 1 272.436 3.200 20 30 CGEDMO COCC#CC[N@H+]1CC[C@H](c2ccc(C)cc2)C1(C)C ZINC001460699314 937541008 /nfs/dbraw/zinc/54/10/08/937541008.db2.gz XEMLLYCBFPIGPP-QGZVFWFLSA-N 1 1 271.404 3.213 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)c(F)c1)Cc1cccc2c1OCO2 ZINC001139531098 931953448 /nfs/dbraw/zinc/95/34/48/931953448.db2.gz LMFOGUYDDUFCCO-UHFFFAOYSA-N 1 1 298.317 3.058 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)Cc1cccc2c1OCO2 ZINC001139531098 931953453 /nfs/dbraw/zinc/95/34/53/931953453.db2.gz LMFOGUYDDUFCCO-UHFFFAOYSA-N 1 1 298.317 3.058 20 30 CGEDMO C#C[C@@H]1CCCC[N@@H+]1Cc1cccc(OC(C)C)c1 ZINC001460911916 937552399 /nfs/dbraw/zinc/55/23/99/937552399.db2.gz AXUANYSJLSZUEJ-MRXNPFEDSA-N 1 1 257.377 3.462 20 30 CGEDMO C[N@@H+](Cc1ccccc1)Cc1cc(F)cc(C#N)c1 ZINC000163528164 932003435 /nfs/dbraw/zinc/00/34/35/932003435.db2.gz CDJUVRZOQBUIAA-UHFFFAOYSA-N 1 1 254.308 3.329 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)c1cccc(F)c1Cl ZINC001329558417 932006897 /nfs/dbraw/zinc/00/68/97/932006897.db2.gz GNZZFQMXDPMZJI-LLVKDONJSA-N 1 1 298.789 3.105 20 30 CGEDMO Cc1cn2cc(Nc3cc(C#N)cc([N+](=O)[O-])c3)ccc2[nH+]1 ZINC001211329446 932012305 /nfs/dbraw/zinc/01/23/05/932012305.db2.gz YMWMSWWBSXROMH-UHFFFAOYSA-N 1 1 293.286 3.166 20 30 CGEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](OCCCCCCC#N)C2 ZINC001224370196 932037734 /nfs/dbraw/zinc/03/77/34/932037734.db2.gz SPXREOUYDUFPGV-QDMKHBRRSA-N 1 1 250.386 3.102 20 30 CGEDMO C#C[C@@H](Oc1ccc2c(c1)CC[N@H+](C)C2)c1ccccc1 ZINC001228936523 932053947 /nfs/dbraw/zinc/05/39/47/932053947.db2.gz JRTPAGDFTOZNKA-LJQANCHMSA-N 1 1 277.367 3.428 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1cc(C(C)(C)C)oc1C)[C@@H]1CCCO1 ZINC001461443052 937581712 /nfs/dbraw/zinc/58/17/12/937581712.db2.gz HJHWRTWYVLYJFA-CABCVRRESA-N 1 1 275.392 3.156 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)Cc1ccn(CC)n1 ZINC001461980446 937610920 /nfs/dbraw/zinc/61/09/20/937610920.db2.gz CMFUUOCKPPNBMT-UHFFFAOYSA-N 1 1 269.392 3.134 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccn(CC)n1 ZINC001461980446 937610922 /nfs/dbraw/zinc/61/09/22/937610922.db2.gz CMFUUOCKPPNBMT-UHFFFAOYSA-N 1 1 269.392 3.134 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C)s1 ZINC001230633606 932601482 /nfs/dbraw/zinc/60/14/82/932601482.db2.gz JGBSRPLNTGMOTN-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)CCC ZINC001230633999 932601793 /nfs/dbraw/zinc/60/17/93/932601793.db2.gz OVJAEYNGGIYBBE-OAHLLOKOSA-N 1 1 268.445 3.290 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CC1CCCC1 ZINC001230665659 932605554 /nfs/dbraw/zinc/60/55/54/932605554.db2.gz WLADEHNXCYNOAQ-NVXWUHKLSA-N 1 1 292.467 3.454 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)C=C(C)C ZINC001230681979 932608617 /nfs/dbraw/zinc/60/86/17/932608617.db2.gz RMUKRFYRJPBGHY-MRXNPFEDSA-N 1 1 280.456 3.456 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)/C(C)=C/CC)[C@H]1CC ZINC001316730914 932783907 /nfs/dbraw/zinc/78/39/07/932783907.db2.gz APEGONZCIPFRRZ-KFOKOMITSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)CC(C)(C)C)C1 ZINC001491906702 932795799 /nfs/dbraw/zinc/79/57/99/932795799.db2.gz KKKPFWVYLKRJHF-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](CC)CC(C)C)C1 ZINC001491959155 932800103 /nfs/dbraw/zinc/80/01/03/932800103.db2.gz JWZNRZJVFNCGKV-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)CC1=CCCCC1 ZINC001492215163 932810228 /nfs/dbraw/zinc/81/02/28/932810228.db2.gz NRKIKLGBUKOSDE-OAHLLOKOSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)C(C)=C1CCCC1 ZINC001492227179 932811576 /nfs/dbraw/zinc/81/15/76/932811576.db2.gz JUUSAWRSELWDMY-AWEZNQCLSA-N 1 1 278.440 3.280 20 30 CGEDMO C=C1CC(C)(C(=O)NCC[N@H+](C)CC/C=C\CCC)C1 ZINC001317461952 932882924 /nfs/dbraw/zinc/88/29/24/932882924.db2.gz KDJWGXRYJGIEQA-FPLPWBNLSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCNC(=O)C(C1CCC1)C1CCC1 ZINC001317459452 932883008 /nfs/dbraw/zinc/88/30/08/932883008.db2.gz XGBSZWUXKYQNJX-UHFFFAOYSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC001462461619 937643308 /nfs/dbraw/zinc/64/33/08/937643308.db2.gz PKKTWUGUUYRHTD-CQSZACIVSA-N 1 1 257.377 3.410 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC001307663723 932981848 /nfs/dbraw/zinc/98/18/48/932981848.db2.gz NOTBVBRAJLKFHC-YOEHRIQHSA-N 1 1 294.439 3.284 20 30 CGEDMO CC#CC[N@@H+](C)Cc1cc(Br)ccc1C ZINC001307806930 933003516 /nfs/dbraw/zinc/00/35/16/933003516.db2.gz JZQFZZSTXZDBHG-UHFFFAOYSA-N 1 1 266.182 3.213 20 30 CGEDMO C=C(CC)C[N@H+]([C@@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC001307833878 933007104 /nfs/dbraw/zinc/00/71/04/933007104.db2.gz UAOAZWHEKLROHL-LBPRGKRZSA-N 1 1 253.386 3.147 20 30 CGEDMO C=C(CC)C[N@@H+]([C@@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC001307833878 933007108 /nfs/dbraw/zinc/00/71/08/933007108.db2.gz UAOAZWHEKLROHL-LBPRGKRZSA-N 1 1 253.386 3.147 20 30 CGEDMO C#CCOCC[N@@H+](Cc1c(C)cccc1C)CC(C)C ZINC001307869819 933012562 /nfs/dbraw/zinc/01/25/62/933012562.db2.gz IXNFCIRJMMHUMN-UHFFFAOYSA-N 1 1 273.420 3.411 20 30 CGEDMO C=CC[N@@H+](Cc1c(C)cc(C#N)cc1C)[C@H](C)COC ZINC001307923244 933020182 /nfs/dbraw/zinc/02/01/82/933020182.db2.gz GDLLVCUEOLAFNJ-OAHLLOKOSA-N 1 1 272.392 3.198 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](CCCc2c(F)cccc2F)C1 ZINC001308069801 933042341 /nfs/dbraw/zinc/04/23/41/933042341.db2.gz XFGSZFOCXXKMIK-CYBMUJFWSA-N 1 1 263.331 3.243 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1 ZINC001308119387 933051462 /nfs/dbraw/zinc/05/14/62/933051462.db2.gz PNQUSZLAVSOBDX-LKCYJCQHSA-N 1 1 294.398 3.211 20 30 CGEDMO Cc1ccc(C[N@H+]2CCc3c(C#N)c(N)sc3C2)c(C)c1 ZINC001308131824 933052587 /nfs/dbraw/zinc/05/25/87/933052587.db2.gz JWGADOWNGWLOSM-UHFFFAOYSA-N 1 1 297.427 3.377 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1CC(=O)N(C)Cc1ccccc1 ZINC001308135084 933055069 /nfs/dbraw/zinc/05/50/69/933055069.db2.gz DHQJYHPAJYJLCI-KRWDZBQOSA-N 1 1 286.419 3.076 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCCC[C@H]2[C@H]2CCCO2)c1F ZINC001308160304 933061793 /nfs/dbraw/zinc/06/17/93/933061793.db2.gz NLFVTNCLTOKIPZ-JKSUJKDBSA-N 1 1 288.366 3.231 20 30 CGEDMO C=CCC[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)C(=O)OCC ZINC001308769412 933173916 /nfs/dbraw/zinc/17/39/16/933173916.db2.gz HRQYHDOQEXIMTQ-CHWSQXEVSA-N 1 1 253.386 3.053 20 30 CGEDMO C=CCC[C@@H]([NH2+][C@H]1CC[C@@H]2CCC[C@@H]21)C(=O)OCC ZINC001308769987 933174067 /nfs/dbraw/zinc/17/40/67/933174067.db2.gz OUUBJQZNNJHKPO-ZQDZILKHSA-N 1 1 265.397 3.053 20 30 CGEDMO C=CCCSCC[NH2+]Cc1ccc(O)c(F)c1F ZINC001308853637 933190166 /nfs/dbraw/zinc/19/01/66/933190166.db2.gz JMPBDAGSVCMHCN-UHFFFAOYSA-N 1 1 273.348 3.069 20 30 CGEDMO C=CCC[C@@H](CCC)[NH2+][C@@H](CC1CCOCC1)C(=O)OC ZINC001308919978 933204944 /nfs/dbraw/zinc/20/49/44/933204944.db2.gz YRLKDDSVWRPGLD-CVEARBPZSA-N 1 1 297.439 3.069 20 30 CGEDMO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1CCCCC1(C#N)CCC1 ZINC001341139998 933324690 /nfs/dbraw/zinc/32/46/90/933324690.db2.gz VKNKUMPLTGDTLH-GJZGRUSLSA-N 1 1 292.423 3.124 20 30 CGEDMO C#CC[N@H+]1CCC[C@H](NC(=O)C[C@@H](C)CCCCCC)C1 ZINC001316955471 933460878 /nfs/dbraw/zinc/46/08/78/933460878.db2.gz RXCKVDHQHAECIJ-IRXDYDNUSA-N 1 1 292.467 3.197 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C)CCCCCC)C1 ZINC001316955471 933460882 /nfs/dbraw/zinc/46/08/82/933460882.db2.gz RXCKVDHQHAECIJ-IRXDYDNUSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@H](C)C1CC1 ZINC001328799645 933465043 /nfs/dbraw/zinc/46/50/43/933465043.db2.gz YIAHXEBBEVPOKN-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCCCN1C(=O)CCC ZINC001316801141 933467349 /nfs/dbraw/zinc/46/73/49/933467349.db2.gz OJJUCBRPSFIUOO-HOTGVXAUSA-N 1 1 280.456 3.454 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1[C@H]2CCC[N@H+](CCC)[C@@H]2C1(C)C ZINC001316720137 933477450 /nfs/dbraw/zinc/47/74/50/933477450.db2.gz JMVSDIJVEWGBIF-OIISXLGYSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(=C)C)[C@@H]1C)c1ccccc1 ZINC001316798856 933483231 /nfs/dbraw/zinc/48/32/31/933483231.db2.gz DMAQJHNSOGNAEW-NXHRZFHOSA-N 1 1 298.430 3.111 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@H]1C[N@@H+](C)CC(=C)Cl ZINC001316803793 933483542 /nfs/dbraw/zinc/48/35/42/933483542.db2.gz PPBPYTSVZVHQTK-AWEZNQCLSA-N 1 1 284.831 3.018 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@H]1C[N@H+](C)CC(=C)Cl ZINC001316803793 933483546 /nfs/dbraw/zinc/48/35/46/933483546.db2.gz PPBPYTSVZVHQTK-AWEZNQCLSA-N 1 1 284.831 3.018 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)c1ccc(CC)s1)C1CC1 ZINC001316922479 933494708 /nfs/dbraw/zinc/49/47/08/933494708.db2.gz QNZCPEYDWNRZBV-UHFFFAOYSA-N 1 1 292.448 3.081 20 30 CGEDMO C=C(C)CC[N@H+](CCCNC(=O)[C@H]1CC[C@H](C)C1)C1CC1 ZINC001316925101 933495239 /nfs/dbraw/zinc/49/52/39/933495239.db2.gz KGZFPSUVDCWXTR-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](NC(=O)CC2(C=C)CCCCC2)C1 ZINC001316949859 933502226 /nfs/dbraw/zinc/50/22/26/933502226.db2.gz BISLKCRERWWIQQ-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)c2occc2C)C1 ZINC001316968627 933502879 /nfs/dbraw/zinc/50/28/79/933502879.db2.gz GNAPJQPFHRXDOY-HNNXBMFYSA-N 1 1 292.423 3.363 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC2(C)C)C1 ZINC001317039511 933518922 /nfs/dbraw/zinc/51/89/22/933518922.db2.gz RMUWZBKDAFSICU-HZPDHXFCSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)CC ZINC001317049319 933520384 /nfs/dbraw/zinc/52/03/84/933520384.db2.gz QNZZHPFELGPCEI-HRCADAONSA-N 1 1 292.467 3.453 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC2CC2)C1 ZINC001317100205 933530931 /nfs/dbraw/zinc/53/09/31/933530931.db2.gz HHTOFYPRGYESQQ-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC)c1ccccc1 ZINC001317099838 933531012 /nfs/dbraw/zinc/53/10/12/933531012.db2.gz CUSJYFSDWHUZCG-FBVQUNGASA-N 1 1 298.430 3.088 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCC[N@@H+](CCC(C)C)C1 ZINC001317135793 933537454 /nfs/dbraw/zinc/53/74/54/933537454.db2.gz RESRGROLVZONCG-WMZOPIPTSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)C2(CC)CCC2)C1 ZINC001317136257 933540264 /nfs/dbraw/zinc/54/02/64/933540264.db2.gz AXXLPTYJEPKZIK-CQSZACIVSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)C2(CC)CCC2)C1 ZINC001317136257 933540274 /nfs/dbraw/zinc/54/02/74/933540274.db2.gz AXXLPTYJEPKZIK-CQSZACIVSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)CC(C)(C)C ZINC001317165658 933545381 /nfs/dbraw/zinc/54/53/81/933545381.db2.gz JOTNAUIBWSLBGP-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)/C=C/C(C)(C)C)C1 ZINC001317200945 933551692 /nfs/dbraw/zinc/55/16/92/933551692.db2.gz NKFWYCZMFJJICU-MTQIJDFFSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]1CCCNC(=O)C1(C)CC1 ZINC001317424378 933590301 /nfs/dbraw/zinc/59/03/01/933590301.db2.gz UDBORFWHGAKNMO-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[N@@H+](C)[C@@H](C)c1ccccc1F ZINC001317458398 933597026 /nfs/dbraw/zinc/59/70/26/933597026.db2.gz GZMATVCKOXRMMA-ZDUSSCGKSA-N 1 1 292.398 3.147 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[N@H+](C)[C@@H](C)c1ccccc1F ZINC001317458398 933597029 /nfs/dbraw/zinc/59/70/29/933597029.db2.gz GZMATVCKOXRMMA-ZDUSSCGKSA-N 1 1 292.398 3.147 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)c1cc(F)cc(Cl)c1 ZINC001317460749 933597067 /nfs/dbraw/zinc/59/70/67/933597067.db2.gz IJDUSAQOQZHXKJ-UHFFFAOYSA-N 1 1 298.789 3.107 20 30 CGEDMO CC#CC[N@@H+](CC)CCNC(=O)C[C@H](C)C1CCCCC1 ZINC001317489653 933602095 /nfs/dbraw/zinc/60/20/95/933602095.db2.gz MVCFQGKINMBEIF-INIZCTEOSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1CNC(=O)C1(C2CCCCC2)CC1 ZINC001317513746 933607040 /nfs/dbraw/zinc/60/70/40/933607040.db2.gz YCGBACJDTPFFOE-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](CNC(=O)C2CC(C)(C)C2)C1 ZINC001317519847 933610843 /nfs/dbraw/zinc/61/08/43/933610843.db2.gz VLQAWHCGSMEYAJ-LSDHHAIUSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CC[N@H+](CCC)C2)CCCCC1 ZINC001317537182 933612178 /nfs/dbraw/zinc/61/21/78/933612178.db2.gz TTWGOMKGKMVIKV-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001317528804 933612791 /nfs/dbraw/zinc/61/27/91/933612791.db2.gz UDCCUDDLVMBTFW-HNNXBMFYSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[N@@H+](CCNC(=O)C1CCC(C)(C)CC1)C1CC1 ZINC001317562134 933622881 /nfs/dbraw/zinc/62/28/81/933622881.db2.gz USWUIQGEMDPUCH-UHFFFAOYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+](CCCNC(=O)C(C)(C)C)C(C)C ZINC001317709194 933636015 /nfs/dbraw/zinc/63/60/15/933636015.db2.gz JWXMWJFHQPOBKG-UHFFFAOYSA-N 1 1 268.445 3.215 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)c1ccc(C)cc1)C(C)C ZINC001317709644 933636644 /nfs/dbraw/zinc/63/66/44/933636644.db2.gz RSUIOBKVLHOXCO-UHFFFAOYSA-N 1 1 274.408 3.011 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CC23CCC3)C1 ZINC001317766618 933646517 /nfs/dbraw/zinc/64/65/17/933646517.db2.gz GKSDPEWMFRWKSN-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)CCCCCC)C1 ZINC001317769366 933646751 /nfs/dbraw/zinc/64/67/51/933646751.db2.gz BYDLUTNGTGEYKL-QGZVFWFLSA-N 1 1 292.467 3.293 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)C2CC(C)(C)C2)C1 ZINC001317781915 933648690 /nfs/dbraw/zinc/64/86/90/933648690.db2.gz KDFFBALSPNEIDE-OAHLLOKOSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC001317826288 933654223 /nfs/dbraw/zinc/65/42/23/933654223.db2.gz JPLPZTUCHHLDMN-INIZCTEOSA-N 1 1 286.419 3.047 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H](C[N@@H+](C)CCC(C)(C)C)C1 ZINC001317849766 933659581 /nfs/dbraw/zinc/65/95/81/933659581.db2.gz ZGPIBNVIOHYRTM-OAHLLOKOSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC1C[NH+]([C@@H]2CCc3ccccc32)C1 ZINC001318061411 933680447 /nfs/dbraw/zinc/68/04/47/933680447.db2.gz SWFOAVKWNDRRMJ-IEBWSBKVSA-N 1 1 298.430 3.077 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001318240261 933698464 /nfs/dbraw/zinc/69/84/64/933698464.db2.gz JUBWKJZXTXBHSZ-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[C@H](CC)CCCC)C1 ZINC001318266827 933702979 /nfs/dbraw/zinc/70/29/79/933702979.db2.gz VBJZDRWPKKWJRQ-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)C2(CC=C)CCCCC2)C1 ZINC001318301806 933706908 /nfs/dbraw/zinc/70/69/08/933706908.db2.gz VYRLKZOTJQLTOK-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)C23CCC(CC2)C3)C1 ZINC001318414620 933720795 /nfs/dbraw/zinc/72/07/95/933720795.db2.gz UHBKKSJGXCATDS-UPTPFMHGSA-N 1 1 290.451 3.066 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)CCCC[C@@H](C)CC)C1 ZINC001318407654 933721789 /nfs/dbraw/zinc/72/17/89/933721789.db2.gz SCYXBDCFYZFSRT-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H](C)CCC)C1 ZINC001318460273 933729397 /nfs/dbraw/zinc/72/93/97/933729397.db2.gz XMONAAQKKNHBLN-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC1(CC(=O)N(C)CC[N@@H+](C)C2CC2)CCCCC1 ZINC001466975135 937713792 /nfs/dbraw/zinc/71/37/92/937713792.db2.gz NCQSEOLVLSKMSZ-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO C[N@@H+](CCCSCC#N)Cc1cc2ccccc2[nH]1 ZINC001319018128 933811118 /nfs/dbraw/zinc/81/11/18/933811118.db2.gz XLJGKCCJTRMGGB-UHFFFAOYSA-N 1 1 273.405 3.247 20 30 CGEDMO CCCCCCCC[N@H+]1CCC[C@H](C(=O)NC2CC2)C1 ZINC001319325117 933856699 /nfs/dbraw/zinc/85/66/99/933856699.db2.gz RKOXKOCTSVHAMK-HNNXBMFYSA-N 1 1 280.456 3.338 20 30 CGEDMO C#CC[N@H+](Cc1cc(OCC)cc(CC=C)c1O)CC1CC1 ZINC001319460694 933878984 /nfs/dbraw/zinc/87/89/84/933878984.db2.gz DEBNEKOKVZKRKF-UHFFFAOYSA-N 1 1 299.414 3.365 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001319606840 933900860 /nfs/dbraw/zinc/90/08/60/933900860.db2.gz JSOBPNYNGNYZOW-ZDUSSCGKSA-N 1 1 255.365 3.318 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2nc(C(C)(C)C)cs2)C1 ZINC001320039199 933985163 /nfs/dbraw/zinc/98/51/63/933985163.db2.gz INEWXWNGDCTYQZ-LBPRGKRZSA-N 1 1 280.437 3.218 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2nc(C(C)(C)C)cs2)C1 ZINC001320039199 933985168 /nfs/dbraw/zinc/98/51/68/933985168.db2.gz INEWXWNGDCTYQZ-LBPRGKRZSA-N 1 1 280.437 3.218 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)[C@H]1CC[C@H](C)CC1 ZINC001320072255 933992093 /nfs/dbraw/zinc/99/20/93/933992093.db2.gz FDFLVCJZIYNVOM-WKILWMFISA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)C(C)(C)CC(C)C ZINC001320069555 933992321 /nfs/dbraw/zinc/99/23/21/933992321.db2.gz YLBKHWHOWFOEQW-UHFFFAOYSA-N 1 1 282.472 3.415 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2cccc(C)c2)C1 ZINC001320085184 933994368 /nfs/dbraw/zinc/99/43/68/933994368.db2.gz DPSGMAJPYGDMQT-QGZVFWFLSA-N 1 1 297.402 3.162 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCCC)C1 ZINC001320103941 934002087 /nfs/dbraw/zinc/00/20/87/934002087.db2.gz OCKHXLWBEWLLDP-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2c(C)cc(C)cc2C)C1 ZINC001320160146 934010804 /nfs/dbraw/zinc/01/08/04/934010804.db2.gz NDJWHNDOISSIJC-MRXNPFEDSA-N 1 1 259.393 3.389 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2ncc(-c3ccccc3C)o2)C1 ZINC001320321934 934029211 /nfs/dbraw/zinc/02/92/11/934029211.db2.gz PTXCAYZGQURLFM-HNNXBMFYSA-N 1 1 298.386 3.427 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ncc(-c3ccccc3C)o2)C1 ZINC001320321934 934029220 /nfs/dbraw/zinc/02/92/20/934029220.db2.gz PTXCAYZGQURLFM-HNNXBMFYSA-N 1 1 298.386 3.427 20 30 CGEDMO C=C[C@@H](COC)[NH2+]Cc1ccc(Oc2ccccc2)o1 ZINC001320427213 934046823 /nfs/dbraw/zinc/04/68/23/934046823.db2.gz CJHHYAMXQXMYBI-ZDUSSCGKSA-N 1 1 273.332 3.363 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc(C)cc2Cl)C1 ZINC001321007646 934134770 /nfs/dbraw/zinc/13/47/70/934134770.db2.gz JUWFSWYQXRMJSN-CQSZACIVSA-N 1 1 265.784 3.425 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2cnc(-c3ccco3)s2)C1 ZINC001321359441 934179575 /nfs/dbraw/zinc/17/95/75/934179575.db2.gz VKXNGZUSPPXMHC-GFCCVEGCSA-N 1 1 290.388 3.180 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)c1cc(C)oc1C ZINC001322107685 934245020 /nfs/dbraw/zinc/24/50/20/934245020.db2.gz BEUUQIKJGZHXLZ-CHWSQXEVSA-N 1 1 292.423 3.301 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)c1cc(C)oc1C ZINC001322107687 934246094 /nfs/dbraw/zinc/24/60/94/934246094.db2.gz BEUUQIKJGZHXLZ-QWHCGFSZSA-N 1 1 292.423 3.301 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H](C)C[N@@H+](C)CC1CC(C)(C)C1 ZINC001322223597 934261476 /nfs/dbraw/zinc/26/14/76/934261476.db2.gz LSQJZSUQXDXWNI-GJZGRUSLSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H](C)C[N@@H+](C)CC1CC(C)(C)C1 ZINC001322235739 934263212 /nfs/dbraw/zinc/26/32/12/934263212.db2.gz HYXKYUPAFUBFSV-RDTXWAMCSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC1(C(=O)N[C@@H](C)C[N@@H+](C)CCCF)CCCCC1 ZINC001322306281 934274653 /nfs/dbraw/zinc/27/46/53/934274653.db2.gz IZGRDQGNRFUKPV-HNNXBMFYSA-N 1 1 298.446 3.309 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccoc1C(C)C ZINC001322307230 934276197 /nfs/dbraw/zinc/27/61/97/934276197.db2.gz PKQQQORWBHXSNR-CQSZACIVSA-N 1 1 292.423 3.419 20 30 CGEDMO C=CC1(CC(=O)NC[C@@H]2CC[N@@H+]2C(C)C)CCCCC1 ZINC001323316936 934383695 /nfs/dbraw/zinc/38/36/95/934383695.db2.gz BTAUKDQTYZNVIX-HNNXBMFYSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC001323726506 934422856 /nfs/dbraw/zinc/42/28/56/934422856.db2.gz ATCYXPINWHWDSJ-CQSZACIVSA-N 1 1 296.208 3.226 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc(Br)cc2)C1 ZINC001323726506 934422859 /nfs/dbraw/zinc/42/28/59/934422859.db2.gz ATCYXPINWHWDSJ-CQSZACIVSA-N 1 1 296.208 3.226 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)CC[C@H](C)CC)C2)C1 ZINC001323872887 934434488 /nfs/dbraw/zinc/43/44/88/934434488.db2.gz LYJZCHCSTNBCJA-AEFFLSMTSA-N 1 1 292.467 3.313 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)n1 ZINC001323935576 934441336 /nfs/dbraw/zinc/44/13/36/934441336.db2.gz IVBCPQASICDSOW-NEPJUHHUSA-N 1 1 261.394 3.027 20 30 CGEDMO N#Cc1csc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)n1 ZINC001323935576 934441340 /nfs/dbraw/zinc/44/13/40/934441340.db2.gz IVBCPQASICDSOW-NEPJUHHUSA-N 1 1 261.394 3.027 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)[C@@H]2CC[C@H](SC)C2)cc1 ZINC001324358291 934491076 /nfs/dbraw/zinc/49/10/76/934491076.db2.gz JGIPQCGJAXDWCH-CVEARBPZSA-N 1 1 259.418 3.384 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]2C2CCC2)cc1 ZINC001473144182 937794395 /nfs/dbraw/zinc/79/43/95/937794395.db2.gz JBUUUXABDMMCJD-GOSISDBHSA-N 1 1 296.414 3.261 20 30 CGEDMO CCC1CCC([N@@H+](C)Cc2cc(C#N)ccn2)CC1 ZINC001473210464 937797534 /nfs/dbraw/zinc/79/75/34/937797534.db2.gz JSFYVCJLAKCOAS-UHFFFAOYSA-N 1 1 257.381 3.354 20 30 CGEDMO C#CC[N@H+](Cc1ccc(F)c(Br)c1)CC1CC1 ZINC001473286333 937800563 /nfs/dbraw/zinc/80/05/63/937800563.db2.gz BHWZTHNWMSDQLL-UHFFFAOYSA-N 1 1 296.183 3.433 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CC2(C)C)C1 ZINC001324928134 934874486 /nfs/dbraw/zinc/87/44/86/934874486.db2.gz QXPXXNRLRZFIKC-MAUKXSAKSA-N 1 1 292.467 3.217 20 30 CGEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001473517699 937810170 /nfs/dbraw/zinc/81/01/70/937810170.db2.gz UBWXAQAPWLJYGO-CEXWTWQISA-N 1 1 298.430 3.443 20 30 CGEDMO Cc1[nH+]ccn1CCCSCc1cccc(C#N)c1 ZINC001325414941 934911273 /nfs/dbraw/zinc/91/12/73/934911273.db2.gz ZBFYKDYIUMXERB-UHFFFAOYSA-N 1 1 271.389 3.387 20 30 CGEDMO C=CCn1cnn(C[N@@H+]2CC[C@@H](C3CCCC3)C2)c1=S ZINC001325770579 934928487 /nfs/dbraw/zinc/92/84/87/934928487.db2.gz JJYZLVPJPZUDBH-CQSZACIVSA-N 1 1 292.452 3.070 20 30 CGEDMO C=CCn1cnn(C[N@H+]2CC[C@@H](C3CCCC3)C2)c1=S ZINC001325770579 934928489 /nfs/dbraw/zinc/92/84/89/934928489.db2.gz JJYZLVPJPZUDBH-CQSZACIVSA-N 1 1 292.452 3.070 20 30 CGEDMO CCOc1ccc(C[N@@H+](C)[C@H]2CC[C@@H](C#N)C2)cc1OC ZINC001326241190 934962327 /nfs/dbraw/zinc/96/23/27/934962327.db2.gz WGBOAYJGQVOAMR-HIFRSBDPSA-N 1 1 288.391 3.218 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)C[C@H](C)C1CCCCC1 ZINC001473705855 937817992 /nfs/dbraw/zinc/81/79/92/937817992.db2.gz GQNDGSGTTITUIY-HOCLYGCPSA-N 1 1 253.430 3.462 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)CC(C)=C(C)C)CC1 ZINC001327141336 935034853 /nfs/dbraw/zinc/03/48/53/935034853.db2.gz CWRUUNLWSJWBKN-HNNXBMFYSA-N 1 1 298.858 3.456 20 30 CGEDMO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C(C)(C)C ZINC001327998447 935107753 /nfs/dbraw/zinc/10/77/53/935107753.db2.gz JHRBYOQNEZPDPP-UHFFFAOYSA-N 1 1 293.798 3.271 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H](NC(=O)C2CC=CC2)C(C)(C)C1 ZINC001328068174 935114508 /nfs/dbraw/zinc/11/45/08/935114508.db2.gz QOXFAOKQUUPLED-MRXNPFEDSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C=C)C(C)(C)C1 ZINC001328103044 935117816 /nfs/dbraw/zinc/11/78/16/935117816.db2.gz QPWOBTPRSQQFMN-OAHLLOKOSA-N 1 1 292.467 3.382 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(F)c(OC)c2)C1 ZINC001328695436 935160157 /nfs/dbraw/zinc/16/01/57/935160157.db2.gz AGJYCWLWLOYPEM-CYBMUJFWSA-N 1 1 261.340 3.070 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C/C=C(/C)C=C ZINC001328753021 935166456 /nfs/dbraw/zinc/16/64/56/935166456.db2.gz OCGJGMHRAWYUED-NIFLVVHWSA-N 1 1 290.451 3.398 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@]1(C)C=CCC1 ZINC001328752654 935166628 /nfs/dbraw/zinc/16/66/28/935166628.db2.gz KRCXKEACQYGEDG-GDBMZVCRSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@]1(C)C=CCC1 ZINC001328752654 935166630 /nfs/dbraw/zinc/16/66/30/935166630.db2.gz KRCXKEACQYGEDG-GDBMZVCRSA-N 1 1 296.842 3.018 20 30 CGEDMO CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](CCC)C(C)C ZINC001328766110 935167418 /nfs/dbraw/zinc/16/74/18/935167418.db2.gz QUEYQYFWJJDWOJ-IRXDYDNUSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1sccc1C ZINC001329369513 935209801 /nfs/dbraw/zinc/20/98/01/935209801.db2.gz CKOKEDHAKVSIDH-UONOGXRCSA-N 1 1 294.464 3.461 20 30 CGEDMO C=CCCC(=O)NC[C@H](C)[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC001329397185 935212347 /nfs/dbraw/zinc/21/23/47/935212347.db2.gz OGIUXFKQXXDCGM-UONOGXRCSA-N 1 1 292.398 3.289 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@H](C)C(CC)CC ZINC001329473998 935218917 /nfs/dbraw/zinc/21/89/17/935218917.db2.gz GVKXQTUANSANOO-ZIAGYGMSSA-N 1 1 268.445 3.071 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@@H](C)[N@@H+](C)CCC(C)(C)C ZINC001329515584 935222346 /nfs/dbraw/zinc/22/23/46/935222346.db2.gz OPIPAJZTFGQWSQ-HUUCEWRRSA-N 1 1 282.472 3.461 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)C(C1CCC1)C1CCC1 ZINC001329516129 935223328 /nfs/dbraw/zinc/22/33/28/935223328.db2.gz QNQCBPYJNBUSTN-AWEZNQCLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)C(C1CCC1)C1CCC1 ZINC001329519790 935223336 /nfs/dbraw/zinc/22/33/36/935223336.db2.gz ZRWYZKOIAKNDNQ-CQSZACIVSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)c1cccc(C(C)C)c1 ZINC001329587832 935230856 /nfs/dbraw/zinc/23/08/56/935230856.db2.gz KOCLIQYQQZKOOG-OAHLLOKOSA-N 1 1 288.435 3.436 20 30 CGEDMO C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](CC)CCCC ZINC001329908436 935253818 /nfs/dbraw/zinc/25/38/18/935253818.db2.gz JZBCEPFTJCWRSS-IRXDYDNUSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)[C@@H](CCCC)C(C)C)C(C)(C)C1 ZINC001330260677 935281630 /nfs/dbraw/zinc/28/16/30/935281630.db2.gz CXHFQHMCNXMOEU-HOTGVXAUSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)/C(C)=C\C)C[C@@H]2C1 ZINC001330459148 935290382 /nfs/dbraw/zinc/29/03/82/935290382.db2.gz ZZACDBXASVIFJY-BCUZFTSHSA-N 1 1 290.451 3.136 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1cccn1C1CC1 ZINC001331082994 935348360 /nfs/dbraw/zinc/34/83/60/935348360.db2.gz KRFMODYGHJLTDN-UHFFFAOYSA-N 1 1 279.387 3.369 20 30 CGEDMO C=C[C@H](OC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001331917542 935421798 /nfs/dbraw/zinc/42/17/98/935421798.db2.gz YGMITGJWRUUFJK-BPUTZDHNSA-N 1 1 273.376 3.187 20 30 CGEDMO C=C(C)CCC(=O)N[C@]12CCC[C@@H]1[N@@H+](CCC(=C)C)CC2 ZINC001332091020 935438651 /nfs/dbraw/zinc/43/86/51/935438651.db2.gz OJSFFUBMTVTHLZ-WMZOPIPTSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)C/C=C(\C)C=C)CCC[C@H]12 ZINC001332098660 935439401 /nfs/dbraw/zinc/43/94/01/935439401.db2.gz FNSIQZZFRGPMKV-BZLOZJKASA-N 1 1 288.435 3.198 20 30 CGEDMO CC(C)C#CC(=O)N[C@H]1CCC[N@@H+](CCC(C)(C)C)[C@@H]1C ZINC001332180201 935446537 /nfs/dbraw/zinc/44/65/37/935446537.db2.gz WQSGWCZZOMSKKK-CVEARBPZSA-N 1 1 292.467 3.051 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CCC[N@H+](CCC(C)C)[C@@H]1C ZINC001332188233 935447487 /nfs/dbraw/zinc/44/74/87/935447487.db2.gz ZJGHBLYWGGRTPD-CVEARBPZSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C/C(C)=C/CC(=O)N[C@@H]1CCC[N@@H+](CCC(=C)C)[C@H]1C ZINC001332199009 935449226 /nfs/dbraw/zinc/44/92/26/935449226.db2.gz NAWHEOSKYXDRDQ-TUTJWUKCSA-N 1 1 290.451 3.444 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)CCN(C(=O)/C(C)=C\C)C(C)C ZINC001332698094 935483495 /nfs/dbraw/zinc/48/34/95/935483495.db2.gz FMOHWZCGQXTGBZ-QOBZYLRHSA-N 1 1 280.456 3.476 20 30 CGEDMO CC[C@@]1(C)C[N@@H+](CCCCC2(C#N)CCC2)CCO1 ZINC001332970086 935501187 /nfs/dbraw/zinc/50/11/87/935501187.db2.gz WZPQIGVOPVCXPP-HNNXBMFYSA-N 1 1 264.413 3.351 20 30 CGEDMO N#CC[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1cccc(Cl)c1 ZINC001333037347 935506067 /nfs/dbraw/zinc/50/60/67/935506067.db2.gz NDIUXSXZMPVYKV-HUUCEWRRSA-N 1 1 278.783 3.142 20 30 CGEDMO N#CC[C@@H](O)C[N@H+]1CCCC[C@@H]1c1cccc(Cl)c1 ZINC001333037347 935506072 /nfs/dbraw/zinc/50/60/72/935506072.db2.gz NDIUXSXZMPVYKV-HUUCEWRRSA-N 1 1 278.783 3.142 20 30 CGEDMO CC(=O)c1ccc(C[N@@H+](C)CCc2cccc(C#N)c2)cc1 ZINC001333053578 935507119 /nfs/dbraw/zinc/50/71/19/935507119.db2.gz LTTCRXWDOWOJDO-UHFFFAOYSA-N 1 1 292.382 3.435 20 30 CGEDMO C=CC(C)(C)CC(=O)NCC1=CC[N@@H+](CC=C(C)C)CC1 ZINC001333349170 935527994 /nfs/dbraw/zinc/52/79/94/935527994.db2.gz DICDWRRTEYOOKU-UHFFFAOYSA-N 1 1 290.451 3.303 20 30 CGEDMO C=CC(C)(C)CC(=O)NCC1=CC[N@H+](C/C=C/Cl)CC1 ZINC001333349639 935528323 /nfs/dbraw/zinc/52/83/23/935528323.db2.gz HIJGQMQFJIUYAL-VMPITWQZSA-N 1 1 296.842 3.090 20 30 CGEDMO C=CC(C)(C)CC(=O)NCC1=CC[N@@H+](C/C=C/Cl)CC1 ZINC001333349639 935528328 /nfs/dbraw/zinc/52/83/28/935528328.db2.gz HIJGQMQFJIUYAL-VMPITWQZSA-N 1 1 296.842 3.090 20 30 CGEDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1CCCCC1(C#N)CCC1 ZINC001333446931 935535459 /nfs/dbraw/zinc/53/54/59/935535459.db2.gz UDOFQNLAPIWCRE-BZUAXINKSA-N 1 1 278.440 3.332 20 30 CGEDMO C=CC[C@@H]1[N@@H+](CCCCCNC(C)=O)CCCC1(C)C ZINC001333487751 935540008 /nfs/dbraw/zinc/54/00/08/935540008.db2.gz ZYZVXKNRBQEOGU-INIZCTEOSA-N 1 1 280.456 3.360 20 30 CGEDMO CC(C)c1cc([C@H]2CCCN(C[C@@H](C#N)CCC#N)C2)[nH]n1 ZINC001333487483 935540027 /nfs/dbraw/zinc/54/00/27/935540027.db2.gz IANOSOHEIKPEOZ-CABCVRRESA-N 1 1 299.422 3.156 20 30 CGEDMO COCC[N@@H+](CC1CCC(C#N)CC1)[C@H]1CC[C@@H](C)C1 ZINC001334874033 936119795 /nfs/dbraw/zinc/11/97/95/936119795.db2.gz MIQDJOYWXZIAOD-VXLLPVPCSA-N 1 1 278.440 3.453 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2nc3c(s2)C[C@H](C)CC3)C1 ZINC001335329669 936139977 /nfs/dbraw/zinc/13/99/77/936139977.db2.gz LZSFMRXNGHALOL-OLZOCXBDSA-N 1 1 274.433 3.113 20 30 CGEDMO C=CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CCC ZINC001337257354 936246188 /nfs/dbraw/zinc/24/61/88/936246188.db2.gz CZWBDASKJHRUTR-HUUCEWRRSA-N 1 1 266.429 3.112 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001473790634 937822095 /nfs/dbraw/zinc/82/20/95/937822095.db2.gz LTAJXFFPEZQWHO-PKOBYXMFSA-N 1 1 292.357 3.471 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001473790634 937822097 /nfs/dbraw/zinc/82/20/97/937822097.db2.gz LTAJXFFPEZQWHO-PKOBYXMFSA-N 1 1 292.357 3.471 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCN(C)C[C@H]1CC(C)C ZINC001473824885 937823521 /nfs/dbraw/zinc/82/35/21/937823521.db2.gz VIMXEYVUGCOLHD-GOSISDBHSA-N 1 1 299.462 3.337 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN1CC[N@@H+](C)C[C@H]1CC(C)C ZINC001473824885 937823523 /nfs/dbraw/zinc/82/35/23/937823523.db2.gz VIMXEYVUGCOLHD-GOSISDBHSA-N 1 1 299.462 3.337 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN1CC[N@H+](C)C[C@H]1CC(C)C ZINC001473824885 937823525 /nfs/dbraw/zinc/82/35/25/937823525.db2.gz VIMXEYVUGCOLHD-GOSISDBHSA-N 1 1 299.462 3.337 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001473838575 937823961 /nfs/dbraw/zinc/82/39/61/937823961.db2.gz HMZOAPKPCXQGOK-UHFFFAOYSA-N 1 1 260.768 3.490 20 30 CGEDMO C=CCCC[N@H+](CC)CC(=O)N(C)[C@@H](C)CC(C)C ZINC001473862161 937825489 /nfs/dbraw/zinc/82/54/89/937825489.db2.gz XIBIVFMFXWMSGC-HNNXBMFYSA-N 1 1 268.445 3.168 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1[C@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC001473864684 937825613 /nfs/dbraw/zinc/82/56/13/937825613.db2.gz BSSXYPFSHOQIJZ-BXUZGUMPSA-N 1 1 278.783 3.317 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC001473864684 937825615 /nfs/dbraw/zinc/82/56/15/937825615.db2.gz BSSXYPFSHOQIJZ-BXUZGUMPSA-N 1 1 278.783 3.317 20 30 CGEDMO C#C[C@@H]1CCCC[N@@H+]1CCCc1c(F)cccc1F ZINC001473868507 937826195 /nfs/dbraw/zinc/82/61/95/937826195.db2.gz RVUOPCYMGPVQDI-CYBMUJFWSA-N 1 1 263.331 3.385 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)c1ccccc1 ZINC001474191240 937843280 /nfs/dbraw/zinc/84/32/80/937843280.db2.gz HJLYHFJZXSLBGW-NXHRZFHOSA-N 1 1 298.430 3.041 20 30 CGEDMO Cc1ccc(C[NH2+]Cc2cc3c(cc[nH]c3=O)o2)cc1C#N ZINC001474263173 937847247 /nfs/dbraw/zinc/84/72/47/937847247.db2.gz QGXSHMNFSRLFDT-UHFFFAOYSA-N 1 1 293.326 3.003 20 30 CGEDMO C=CCC[C@H](CC)[NH2+][C@H](CC(C)(C)C)C(=O)OC ZINC001474597181 937869293 /nfs/dbraw/zinc/86/92/93/937869293.db2.gz SFFHBGSMUUCWNB-QWHCGFSZSA-N 1 1 255.402 3.299 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cc3c(cc2OC)OCO3)C1 ZINC001474619370 937870757 /nfs/dbraw/zinc/87/07/57/937870757.db2.gz VIBCDKUFMKNOMC-ZDUSSCGKSA-N 1 1 289.375 3.212 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)NCC[N@H+](C)[C@H](C)CC ZINC001477765920 937897784 /nfs/dbraw/zinc/89/77/84/937897784.db2.gz WHRYLGCLCAMECT-CQSZACIVSA-N 1 1 283.460 3.008 20 30 CGEDMO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)CCCCCC ZINC001479260575 937918572 /nfs/dbraw/zinc/91/85/72/937918572.db2.gz WQPSIGIFBDGORL-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)CCCCCC ZINC001479260575 937918573 /nfs/dbraw/zinc/91/85/73/937918573.db2.gz WQPSIGIFBDGORL-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)[C@@H]1C ZINC001479698930 937924071 /nfs/dbraw/zinc/92/40/71/937924071.db2.gz FDZSRSVLFFERLZ-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@H+](CC/C=C/CC)[C@@H]1C ZINC001479716799 937924302 /nfs/dbraw/zinc/92/43/02/937924302.db2.gz DBGGHZFOLGOICQ-DODUIYEKSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)/C(C)=C\CC)CC(C)(C)C1 ZINC001479743502 937924920 /nfs/dbraw/zinc/92/49/20/937924920.db2.gz CACGKGAGFBDGKI-CKNOQMABSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCNC(=O)[C@@H](C)C(C)(C)C ZINC001479778309 937925964 /nfs/dbraw/zinc/92/59/64/937925964.db2.gz SCNQQCPXGHAQPG-CQSZACIVSA-N 1 1 268.445 3.073 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCNC(=O)[C@H](C)C(C)(C)C ZINC001479778308 937926022 /nfs/dbraw/zinc/92/60/22/937926022.db2.gz SCNQQCPXGHAQPG-AWEZNQCLSA-N 1 1 268.445 3.073 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@H](F)CC)C1 ZINC001479909373 937928711 /nfs/dbraw/zinc/92/87/11/937928711.db2.gz VQVQLYWJIMMSEN-HUUCEWRRSA-N 1 1 286.435 3.286 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)/C(C)=C\CC)C1 ZINC001479945675 937929512 /nfs/dbraw/zinc/92/95/12/937929512.db2.gz KKUUDSURSOBHAH-DDITZMBXSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C2CCC(=C)CC2)C1 ZINC001479963112 937930220 /nfs/dbraw/zinc/93/02/20/937930220.db2.gz PPSOTYNXWNWNIY-NVXWUHKLSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCCCC)C1 ZINC001480184022 937933872 /nfs/dbraw/zinc/93/38/72/937933872.db2.gz ISBQJXLPBWPSPG-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](CNC(=O)/C=C/C(C)(C)C)C1 ZINC001480248172 937935106 /nfs/dbraw/zinc/93/51/06/937935106.db2.gz KAYWCUGGQSTHJC-SIFUEBAJSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)C2CC=CC2)C1 ZINC001480249566 937935211 /nfs/dbraw/zinc/93/52/11/937935211.db2.gz WVFJEWKWWPHCAO-HOTGVXAUSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)C2(C)CCCC2)C1 ZINC001480256555 937935270 /nfs/dbraw/zinc/93/52/70/937935270.db2.gz DHFCEHBSKAZHLS-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)C[C@H](C)CC(C)C)C1 ZINC001480267361 937935580 /nfs/dbraw/zinc/93/55/80/937935580.db2.gz LNKJJWWLDSUEQL-SJORKVTESA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)CC(C)=C(C)C ZINC001480325185 937936441 /nfs/dbraw/zinc/93/64/41/937936441.db2.gz RBNFWSWLZXSNHF-MRXNPFEDSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)C=C ZINC001480322425 937936546 /nfs/dbraw/zinc/93/65/46/937936546.db2.gz HAFUOHDIBHFFTC-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO CC#CCCCC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001480383007 937937747 /nfs/dbraw/zinc/93/77/47/937937747.db2.gz NSRFEESPTZMEHQ-DLBZAZTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)CC1=CCCCC1 ZINC001493083565 937947099 /nfs/dbraw/zinc/94/70/99/937947099.db2.gz JPIMSUCEBVZYSB-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@H]1CC[N@H+](CC(CC)CC)C1 ZINC001493240501 937948361 /nfs/dbraw/zinc/94/83/61/937948361.db2.gz LKXRBAYZPOBFAH-MRXNPFEDSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CC[N@H+](CC(=C)C)C2)CCCC1 ZINC001493270352 937948853 /nfs/dbraw/zinc/94/88/53/937948853.db2.gz MVHNOKDFMHZARX-INIZCTEOSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)C1(C2CCCCC2)CC1 ZINC001493330973 937949484 /nfs/dbraw/zinc/94/94/84/937949484.db2.gz OOJRQFAMKZAFKI-UHFFFAOYSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CC[N@H+](CCNC(=O)C[C@H](C)CC(C)(C)C)C1CC1 ZINC001493414611 937949951 /nfs/dbraw/zinc/94/99/51/937949951.db2.gz DNRZQBVKNJILQP-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H](C)C2CC2)C1 ZINC001493946161 937952370 /nfs/dbraw/zinc/95/23/70/937952370.db2.gz FNGQMMUTSCVLSU-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)C(C)=C2CCCC2)C1 ZINC001494004049 937952752 /nfs/dbraw/zinc/95/27/52/937952752.db2.gz LSABTCPYNZPYRB-MRXNPFEDSA-N 1 1 290.451 3.281 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)CC2=CCCCC2)C1 ZINC001494119605 937953237 /nfs/dbraw/zinc/95/32/37/937953237.db2.gz LITDWKYQTZFMCJ-KRWDZBQOSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1CCC[N@@H+](CC=C(C)C)C1 ZINC001494281787 937953969 /nfs/dbraw/zinc/95/39/69/937953969.db2.gz CRKDBGMUACRRIW-JKSUJKDBSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)CCCC2CC2)C1 ZINC001494324440 937954464 /nfs/dbraw/zinc/95/44/64/937954464.db2.gz WVPVNFYYQGJOOI-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2cc(C)cs2)C1 ZINC001494703472 937955740 /nfs/dbraw/zinc/95/57/40/937955740.db2.gz VARHAVXYGADFNN-KGLIPLIRSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C/C(C)=C/CC(=O)N(CC)[C@@H]1CC[N@@H+](CC(=C)C)C1 ZINC001494910921 937957230 /nfs/dbraw/zinc/95/72/30/937957230.db2.gz QYNFBZBBALBBIX-WPBGYSLVSA-N 1 1 276.424 3.008 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)CCCc1ccccc1 ZINC001498394140 937969537 /nfs/dbraw/zinc/96/95/37/937969537.db2.gz JPYHRDWJDBXGHI-INIZCTEOSA-N 1 1 288.435 3.022 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)c1cccc(C2CC2)c1 ZINC001498456869 937969741 /nfs/dbraw/zinc/96/97/41/937969741.db2.gz QGPRAGNGTHFSTN-CQSZACIVSA-N 1 1 286.419 3.190 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)C=C(CC)CC)C1 ZINC001500203688 937976407 /nfs/dbraw/zinc/97/64/07/937976407.db2.gz HDCVZRCSIJFASN-HNNXBMFYSA-N 1 1 284.831 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)C=C(CC)CC)C1 ZINC001500203688 937976408 /nfs/dbraw/zinc/97/64/08/937976408.db2.gz HDCVZRCSIJFASN-HNNXBMFYSA-N 1 1 284.831 3.066 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)CCC(C)C)C1 ZINC001500471856 937977569 /nfs/dbraw/zinc/97/75/69/937977569.db2.gz GKQRRDPMWJDQRE-KRWDZBQOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](F)CC)C2 ZINC001501168710 937979038 /nfs/dbraw/zinc/97/90/38/937979038.db2.gz HWZLATXZCQIXTL-QKPAOTATSA-N 1 1 296.430 3.060 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](CC)CCC)[C@@H]2C1 ZINC001501424719 937979576 /nfs/dbraw/zinc/97/95/76/937979576.db2.gz GHJUOBMTQRTZJN-YESZJQIVSA-N 1 1 292.467 3.312 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CCC)C(C)C)CC1 ZINC001502139020 937981199 /nfs/dbraw/zinc/98/11/99/937981199.db2.gz ZOKLAFJLUYIPKY-SJORKVTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)CCC)CC1 ZINC001502116540 937981366 /nfs/dbraw/zinc/98/13/66/937981366.db2.gz MAALYLZWGNYEOF-GXTWGEPZSA-N 1 1 286.847 3.146 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](CC)C(C)C)CC1 ZINC001502142801 937981478 /nfs/dbraw/zinc/98/14/78/937981478.db2.gz JZBGVHYHEVYHCN-CVEARBPZSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N(C)CCC[N@@H+](C)CC1CCC1 ZINC001502371495 937982336 /nfs/dbraw/zinc/98/23/36/937982336.db2.gz NPGSWXVBPHRPDY-QGZVFWFLSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[N@H+](C)CCCN(C)C(=O)C1CCC(C2CC2)CC1 ZINC001502394360 937982483 /nfs/dbraw/zinc/98/24/83/937982483.db2.gz QUUHZTQUQCPDBM-UHFFFAOYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)/C=C(/C)CC ZINC001502522313 937982719 /nfs/dbraw/zinc/98/27/19/937982719.db2.gz OZOOPVYTPHWZTN-VHUCWBOISA-N 1 1 298.430 3.072 20 30 CGEDMO C=CC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)/C=C(/C)CC ZINC001502522313 937982720 /nfs/dbraw/zinc/98/27/20/937982720.db2.gz OZOOPVYTPHWZTN-VHUCWBOISA-N 1 1 298.430 3.072 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@]2(CC[N@H+](C[C@H](F)CC)C2)C1 ZINC001502541395 937982798 /nfs/dbraw/zinc/98/27/98/937982798.db2.gz NUXPYNRCDZREDW-WBVHZDCISA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C2(CC)CC2)C(C)(C)C1 ZINC001502832085 937983451 /nfs/dbraw/zinc/98/34/51/937983451.db2.gz KPYANCJMAQGZNB-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(CC)CCC2)C[C@H]1C ZINC001502972557 937983909 /nfs/dbraw/zinc/98/39/09/937983909.db2.gz YVPZUHYSRAODJZ-KGLIPLIRSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(CC)CCC2)C[C@H]1C ZINC001502972557 937983910 /nfs/dbraw/zinc/98/39/10/937983910.db2.gz YVPZUHYSRAODJZ-KGLIPLIRSA-N 1 1 298.858 3.288 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)c1oc(C)cc1C ZINC001505426295 937985077 /nfs/dbraw/zinc/98/50/77/937985077.db2.gz PGINVSWWZKOBKX-OAHLLOKOSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]1C[N@H+](C)CC/C=C\CC ZINC001505424935 937985129 /nfs/dbraw/zinc/98/51/29/937985129.db2.gz XMMIYYPASCUYHB-IOBAAEILSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)Cc1ccsc1 ZINC001505862016 937987352 /nfs/dbraw/zinc/98/73/52/937987352.db2.gz RXERESWCJDMRIL-KGLIPLIRSA-N 1 1 294.464 3.082 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)/C=C(/C)C1CC1 ZINC001505879918 937987705 /nfs/dbraw/zinc/98/77/05/937987705.db2.gz WHHCMIGPBMHZGT-WJAHIIFUSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H](C)CNC(=O)C#CC(C)(C)C ZINC001505916456 937987946 /nfs/dbraw/zinc/98/79/46/937987946.db2.gz LMXGERHKMZQNIL-INIZCTEOSA-N 1 1 292.467 3.219 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001506004229 937988685 /nfs/dbraw/zinc/98/86/85/937988685.db2.gz VVTYJKWVRJVFLP-ARFHVFGLSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1C[N@H+](CCCC)CC1(C)C ZINC001506739596 937991565 /nfs/dbraw/zinc/99/15/65/937991565.db2.gz HNGPUDMWUARJOU-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)[C@@H](C)CC)C[C@@]2(C)C1 ZINC001506869564 937992171 /nfs/dbraw/zinc/99/21/71/937992171.db2.gz YVWAUSAEUDWMMF-UOVPBQLFSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)CC2CCC2)CC1 ZINC001506954901 937993058 /nfs/dbraw/zinc/99/30/58/937993058.db2.gz VWJZRQXOYUSBCV-OAHLLOKOSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)c2ccc(Cl)o2)CC1 ZINC001506954226 937993093 /nfs/dbraw/zinc/99/30/93/937993093.db2.gz RINXSLAFVSVZAM-UHFFFAOYSA-N 1 1 296.798 3.046 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)C2(CCC)CC2)CC1 ZINC001506964009 937993211 /nfs/dbraw/zinc/99/32/11/937993211.db2.gz YUQVYXBMDRIGFK-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO CC(C)C#CC(=O)N1CCC([N@H+](C)CCCC(C)C)CC1 ZINC001506957098 937993366 /nfs/dbraw/zinc/99/33/66/937993366.db2.gz CYHDVWIKCQVNLC-UHFFFAOYSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CCC[N@@H+](CCCF)[C@H]2C)CCC1 ZINC001507386337 937995752 /nfs/dbraw/zinc/99/57/52/937995752.db2.gz UZOQQPRZBNJAGQ-GJZGRUSLSA-N 1 1 296.430 3.062 20 30 CGEDMO CC(C)C#CC(=O)N(CC[N@@H+](C)CC1CCCC1)C(C)C ZINC001507785966 937996999 /nfs/dbraw/zinc/99/69/99/937996999.db2.gz AYPZVRCBRVRXGP-UHFFFAOYSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCCC1 ZINC001544642182 938146150 /nfs/dbraw/zinc/14/61/50/938146150.db2.gz FXNUKALATNHQTH-OAHLLOKOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCCCC[N@@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC001560082873 938243455 /nfs/dbraw/zinc/24/34/55/938243455.db2.gz IWDOFCMIOKGMGC-LBPRGKRZSA-N 1 1 265.319 3.386 20 30 CGEDMO C=CCCCCC[N@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC001560082873 938243456 /nfs/dbraw/zinc/24/34/56/938243456.db2.gz IWDOFCMIOKGMGC-LBPRGKRZSA-N 1 1 265.319 3.386 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccncc1C#N ZINC001559514220 938228298 /nfs/dbraw/zinc/22/82/98/938228298.db2.gz VNFOWXROIXPFMB-UHFFFAOYSA-N 1 1 277.371 3.184 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)Cc1ccncc1C#N ZINC001559514220 938228299 /nfs/dbraw/zinc/22/82/99/938228299.db2.gz VNFOWXROIXPFMB-UHFFFAOYSA-N 1 1 277.371 3.184 20 30 CGEDMO CCCC[N@@H+](CC#CCOC)[C@H](C)c1ccccc1 ZINC001559557099 938229466 /nfs/dbraw/zinc/22/94/66/938229466.db2.gz QMCXVYYIUKNHPL-MRXNPFEDSA-N 1 1 259.393 3.500 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)CC[C@H](O)C(C)C ZINC001559578959 938230013 /nfs/dbraw/zinc/23/00/13/938230013.db2.gz XVFOZZVUXHADFS-HNNXBMFYSA-N 1 1 254.418 3.045 20 30 CGEDMO CCCCCCC[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC001559616610 938230888 /nfs/dbraw/zinc/23/08/88/938230888.db2.gz HTJLUQAIOOHCDP-INIZCTEOSA-N 1 1 274.408 3.130 20 30 CGEDMO CCCCCCC[N@H+]1CCNC(=O)[C@@H]1c1ccccc1 ZINC001559616610 938230889 /nfs/dbraw/zinc/23/08/89/938230889.db2.gz HTJLUQAIOOHCDP-INIZCTEOSA-N 1 1 274.408 3.130 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCCCC[C@@H]1CCO ZINC001559834220 938236608 /nfs/dbraw/zinc/23/66/08/938236608.db2.gz ZUQGHSVCDINBQC-QGZVFWFLSA-N 1 1 286.419 3.302 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001559940861 938239571 /nfs/dbraw/zinc/23/95/71/938239571.db2.gz DNTYWSUOELVXLN-IHRRRGAJSA-N 1 1 267.413 3.251 20 30 CGEDMO CCOC(=O)CC[N@@H+](CCCCC(C)(C)C#N)C(C)C ZINC001559951112 938240113 /nfs/dbraw/zinc/24/01/13/938240113.db2.gz KECLJHBDDHOKPP-UHFFFAOYSA-N 1 1 282.428 3.370 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@@H]2CCCN(c3ccccc3)C2=O)C1 ZINC001559983197 938240902 /nfs/dbraw/zinc/24/09/02/938240902.db2.gz KDJUZOYUYRRTKF-SJLPKXTDSA-N 1 1 298.430 3.470 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2nnc(-c3cccc(OC)c3)o2)C1 ZINC001560026858 938242168 /nfs/dbraw/zinc/24/21/68/938242168.db2.gz IVTHIUIRXPZGME-CYBMUJFWSA-N 1 1 299.374 3.143 20 30 CGEDMO CCC#C[C@@H](C)[N@@H+]1C[C@@H](C(=O)OC(C)(C)C)[C@H](C2CC2)C1 ZINC001560129776 938244482 /nfs/dbraw/zinc/24/44/82/938244482.db2.gz DJPCEPLHKXDVOA-VNQPRFMTSA-N 1 1 291.435 3.088 20 30 CGEDMO C[C@@H]([NH2+]Cc1ncccc1Cl)c1cccc(C#N)c1 ZINC001560135634 938244961 /nfs/dbraw/zinc/24/49/61/938244961.db2.gz WKHZMMHZQVNMIE-LLVKDONJSA-N 1 1 271.751 3.457 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](CCCOc2c(C)cccc2C)C1 ZINC001560136216 938244991 /nfs/dbraw/zinc/24/49/91/938244991.db2.gz NXCLVBLAKVOERN-QGZVFWFLSA-N 1 1 271.404 3.418 20 30 CGEDMO Cc1cc([C@H]2CCCC[N@H+]2CCc2ccc(C#N)cc2)[nH]n1 ZINC001560173808 938246050 /nfs/dbraw/zinc/24/60/50/938246050.db2.gz PEPURFFOHDVBAL-GOSISDBHSA-N 1 1 294.402 3.360 20 30 CGEDMO Cc1cc([C@H]2CCCC[N@@H+]2CCc2ccc(C#N)cc2)n[nH]1 ZINC001560173808 938246051 /nfs/dbraw/zinc/24/60/51/938246051.db2.gz PEPURFFOHDVBAL-GOSISDBHSA-N 1 1 294.402 3.360 20 30 CGEDMO Cc1cc([C@H]2CCCC[N@H+]2CCc2ccc(C#N)cc2)n[nH]1 ZINC001560173808 938246052 /nfs/dbraw/zinc/24/60/52/938246052.db2.gz PEPURFFOHDVBAL-GOSISDBHSA-N 1 1 294.402 3.360 20 30 CGEDMO C=CCCC[N@H+](CC)C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001560204537 938247091 /nfs/dbraw/zinc/24/70/91/938247091.db2.gz OUYCRSRIHNAJAF-NWDGAFQWSA-N 1 1 265.319 3.384 20 30 CGEDMO CCC#C[C@@H](C)[N@H+](C)Cc1cc(-c2ccccc2)n[nH]1 ZINC001560211236 938247263 /nfs/dbraw/zinc/24/72/63/938247263.db2.gz ZMQVWRIQLHXMRH-CQSZACIVSA-N 1 1 267.376 3.310 20 30 CGEDMO CCC#C[C@@H](C)[N@@H+](C)Cc1cc(-c2ccccc2)n[nH]1 ZINC001560211236 938247264 /nfs/dbraw/zinc/24/72/64/938247264.db2.gz ZMQVWRIQLHXMRH-CQSZACIVSA-N 1 1 267.376 3.310 20 30 CGEDMO C#C[C@H]1CCCC[N@@H+]1C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC001560209647 938247348 /nfs/dbraw/zinc/24/73/48/938247348.db2.gz UHPSBSGDLIDNAJ-GJZGRUSLSA-N 1 1 297.320 3.227 20 30 CGEDMO C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)c1cccc(C#N)c1 ZINC001560589481 938264005 /nfs/dbraw/zinc/26/40/05/938264005.db2.gz QSNRUIIGWWENFX-JTQLQIEISA-N 1 1 288.297 3.393 20 30 CGEDMO N#Cc1cccc(C[NH2+]Cc2ccc(Cl)cc2F)n1 ZINC001560779745 938275344 /nfs/dbraw/zinc/27/53/44/938275344.db2.gz WPYIPTKQTWTVGY-UHFFFAOYSA-N 1 1 275.714 3.036 20 30 CGEDMO C#CCC1([NH2+]Cc2cccc(F)c2O)CCCCC1 ZINC001561020480 938290092 /nfs/dbraw/zinc/29/00/92/938290092.db2.gz IUUOSCMHRPRCHN-UHFFFAOYSA-N 1 1 261.340 3.347 20 30 CGEDMO C=CCCC(=O)N(C)CC[N@H+](C)Cc1ccccc1Cl ZINC001482584792 957731744 /nfs/dbraw/zinc/73/17/44/957731744.db2.gz QNQDCUXTDRHIBW-UHFFFAOYSA-N 1 1 294.826 3.196 20 30 CGEDMO C=CCCC(=O)N(C)CC[N@@H+](C)Cc1ccccc1Cl ZINC001482584792 957731752 /nfs/dbraw/zinc/73/17/52/957731752.db2.gz QNQDCUXTDRHIBW-UHFFFAOYSA-N 1 1 294.826 3.196 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCN(C(=O)C2CC(C(C)(C)C)C2)C1 ZINC001494178104 957832821 /nfs/dbraw/zinc/83/28/21/957832821.db2.gz GRTPNVFRYFPFBV-QQFBHYJXSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)/C=C(\C)CC)CC1 ZINC001486506849 957833659 /nfs/dbraw/zinc/83/36/59/957833659.db2.gz QKZKMYXJSMYTIV-MDJJKAFGSA-N 1 1 290.451 3.446 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N(C)[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC001494849250 957875925 /nfs/dbraw/zinc/87/59/25/957875925.db2.gz XOIAYARDTZGZJA-NVXWUHKLSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](CNC(=O)C[C@@H](CC)C(C)C)C1 ZINC001317142979 960431972 /nfs/dbraw/zinc/43/19/72/960431972.db2.gz IKFJOUZGXXCDHX-JKSUJKDBSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCC(=O)N1CC[C@H](C[N@H+](C)CC2=CCCCC2)C1 ZINC001567724209 960600036 /nfs/dbraw/zinc/60/00/36/960600036.db2.gz UUBSUWKPLHGQAQ-QGZVFWFLSA-N 1 1 290.451 3.233 20 30 CGEDMO CCCCCCCNC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC001565062573 960731587 /nfs/dbraw/zinc/73/15/87/960731587.db2.gz XBRVNRUBYUVTHV-CQSZACIVSA-N 1 1 283.460 3.129 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC2CC2)C1 ZINC001565503887 960794056 /nfs/dbraw/zinc/79/40/56/960794056.db2.gz DBKRGJPIHHMFKK-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC1(C(=O)N(C)C[C@@H]2CC[N@H+]2CC2CCC2)CCC1 ZINC001565826905 960836982 /nfs/dbraw/zinc/83/69/82/960836982.db2.gz UZVOQRLCZZUVFN-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N(C)C[C@@H]1CC[N@H+]1CCC(C)C ZINC001565825442 960838207 /nfs/dbraw/zinc/83/82/07/960838207.db2.gz VCLUZAHZVHZDJA-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C=C)cc1 ZINC001565828333 960840621 /nfs/dbraw/zinc/84/06/21/960840621.db2.gz MKSSSQRYXRUMIX-GOSISDBHSA-N 1 1 298.430 3.442 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H](C)CC(C)C ZINC001565831828 960842188 /nfs/dbraw/zinc/84/21/88/960842188.db2.gz OMZJXWZWPISUNM-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1CC[N@@H+](CCF)CC(C)(C)C1 ZINC001566130732 960892878 /nfs/dbraw/zinc/89/28/78/960892878.db2.gz BYHXVZYVKNDFDB-PBHICJAKSA-N 1 1 298.446 3.165 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC12CC2 ZINC001566124406 960894378 /nfs/dbraw/zinc/89/43/78/960894378.db2.gz RYLKXNCGXMYRFS-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C#Cc1ccc(C(=O)NCCC[N@H+](C)CC/C=C\CC)cc1 ZINC001566480488 960936652 /nfs/dbraw/zinc/93/66/52/960936652.db2.gz QCRAWGBWJSJUNE-SREVYHEPSA-N 1 1 298.430 3.076 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C2(CCCC)CC2)C1 ZINC001566672038 960970904 /nfs/dbraw/zinc/97/09/04/960970904.db2.gz GTZRBQJLPFXVCO-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C2(CCC)CCC2)C1 ZINC001566627351 960973552 /nfs/dbraw/zinc/97/35/52/960973552.db2.gz CJNMEDWCDGKOPK-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C#CC[N@H+](C)C[C@H]1CCCN(C(=O)C(CCC)CCC)C1 ZINC001566741417 960995391 /nfs/dbraw/zinc/99/53/91/960995391.db2.gz BRTXFSDTOVYUGL-MRXNPFEDSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1(C)C ZINC001566751030 961008239 /nfs/dbraw/zinc/00/82/39/961008239.db2.gz UYLMZSNASRYJMY-JONQDZQNSA-N 1 1 290.451 3.062 20 30 CGEDMO C#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@](C)(CC)CCC)C1 ZINC001566745374 961011188 /nfs/dbraw/zinc/01/11/88/961011188.db2.gz LJLIZGAXHAEHLU-AEFFLSMTSA-N 1 1 292.467 3.006 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)C[C@@H](C)CCCCC)C1 ZINC001566878149 961031130 /nfs/dbraw/zinc/03/11/30/961031130.db2.gz MYCTXGLYSXPFST-DLBZAZTESA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCC[N@H+](C[C@H](C)CC(C)C)C1 ZINC001566865945 961032184 /nfs/dbraw/zinc/03/21/84/961032184.db2.gz MNWFLLMMXNBRNV-IAGOWNOFSA-N 1 1 294.483 3.463 20 30 CGEDMO C#CCCCCC(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H](C)CC ZINC001566919715 961061187 /nfs/dbraw/zinc/06/11/87/961061187.db2.gz FQCWOCPEHNWBHF-DLBZAZTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CC=C)C1 ZINC001566959659 961070613 /nfs/dbraw/zinc/07/06/13/961070613.db2.gz GMDNUQJUFJDGPX-RDJZCZTQSA-N 1 1 290.451 3.158 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)c2coc(C)c2)C1 ZINC001567189573 961128074 /nfs/dbraw/zinc/12/80/74/961128074.db2.gz JHEHDFNFVOJYGJ-MRXNPFEDSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H]1CCCNC(=O)C=C1CCC1 ZINC001567247594 961152243 /nfs/dbraw/zinc/15/22/43/961152243.db2.gz MRYNXMNEIVUING-OAHLLOKOSA-N 1 1 296.842 3.210 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CCCNC(=O)C=C(C)C ZINC001567243664 961152686 /nfs/dbraw/zinc/15/26/86/961152686.db2.gz OEYNWLAAUDYPSD-MRXNPFEDSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CCCNC(=O)/C=C(\C)C1CC1 ZINC001567246768 961157520 /nfs/dbraw/zinc/15/75/20/961157520.db2.gz IQIKIQRSXDMTDH-IAOULYHDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CC)CCNC(=O)[C@H]1CC=CCC1 ZINC001567326708 961274307 /nfs/dbraw/zinc/27/43/07/961274307.db2.gz SLMHLVRPBHJUHR-CVEARBPZSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[N@H+](CC)CC1CCC(C)CC1 ZINC001567341527 961289172 /nfs/dbraw/zinc/28/91/72/961289172.db2.gz GMLFBHFXOHBSQZ-UHFFFAOYSA-N 1 1 294.483 3.463 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)F ZINC001567356626 961293296 /nfs/dbraw/zinc/29/32/96/961293296.db2.gz BENYLBMWYKPMGG-AWEZNQCLSA-N 1 1 286.435 3.286 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)CCC(C)(C)C ZINC001567383502 961312428 /nfs/dbraw/zinc/31/24/28/961312428.db2.gz SXEJXYMTSIDQET-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCC[N@H+]1C/C=C/c1ccccc1 ZINC001567367117 961313488 /nfs/dbraw/zinc/31/34/88/961313488.db2.gz VLKKQTMAKKDZDY-JGZYNSJSSA-N 1 1 298.430 3.247 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](CNC(=O)C(C)(C)C(=C)C)C1 ZINC001567406764 961330085 /nfs/dbraw/zinc/33/00/85/961330085.db2.gz WFUWWKRVOCNWID-HZPDHXFCSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001567714196 961404955 /nfs/dbraw/zinc/40/49/55/961404955.db2.gz GOKHUKIDQYJPRY-AEFFLSMTSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@H+](C)CC1CCN(C(=O)CC(C)(C)C=C)CC1 ZINC001567746780 961413611 /nfs/dbraw/zinc/41/36/11/961413611.db2.gz MLNNRCWIYMTANT-UHFFFAOYSA-N 1 1 292.467 3.335 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001567880519 961457446 /nfs/dbraw/zinc/45/74/46/961457446.db2.gz QETNAHRDBQINLO-HNNXBMFYSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC(C)(C)C(=O)N(C)[C@H]1CC[N@H+](CC(CC)CC)C1 ZINC001567918089 961466915 /nfs/dbraw/zinc/46/69/15/961466915.db2.gz ARSCHYPVBXCVOH-HNNXBMFYSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(CC(C)C)s1 ZINC001569121235 961697236 /nfs/dbraw/zinc/69/72/36/961697236.db2.gz CXOHKWJVUABRJR-CYBMUJFWSA-N 1 1 294.464 3.183 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001569646371 961814323 /nfs/dbraw/zinc/81/43/23/961814323.db2.gz JAKNVVCTPDWQGJ-CRAIPNDOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)C2CCCCC2)C1 ZINC001569708647 961829614 /nfs/dbraw/zinc/82/96/14/961829614.db2.gz FIHIRTRRJZYVEH-GOSISDBHSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@](C)(CNC(=O)/C(C)=C\CC)C1 ZINC001569710174 961835281 /nfs/dbraw/zinc/83/52/81/961835281.db2.gz OYRQDMUYIHEKTE-DJXGBFBFSA-N 1 1 298.858 3.314 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)/C(C)=C\CC)C1 ZINC001569710174 961835297 /nfs/dbraw/zinc/83/52/97/961835297.db2.gz OYRQDMUYIHEKTE-DJXGBFBFSA-N 1 1 298.858 3.314 20 30 CGEDMO C=CC[N@@H+]1CCC[C@](C)(CNC(=O)C2(CC)CCCC2)C1 ZINC001569723199 961840829 /nfs/dbraw/zinc/84/08/29/961840829.db2.gz DGJXDKLEODXFPW-QGZVFWFLSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCCN(C(=O)C3CCC3)[C@@H]2C1 ZINC001569917436 961879380 /nfs/dbraw/zinc/87/93/80/961879380.db2.gz QXIGRBRCPPUIHA-HYVNUMGLSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@H]1CCC(C)(C)C1 ZINC001570207361 961934305 /nfs/dbraw/zinc/93/43/05/961934305.db2.gz NXXANJBYDKCMRV-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[N@H+](CC(=C)Cl)CC1(C)C ZINC001570393975 961958711 /nfs/dbraw/zinc/95/87/11/961958711.db2.gz UAKGITXABQUALI-CQSZACIVSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=C)Cl)CC1(C)C ZINC001570393975 961958723 /nfs/dbraw/zinc/95/87/23/961958723.db2.gz UAKGITXABQUALI-CQSZACIVSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC(C)(C)C2CC2)C[C@@H]1C ZINC001570433766 961967106 /nfs/dbraw/zinc/96/71/06/961967106.db2.gz CHMOVSOODCUJID-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C(C)=C2CCC2)C[C@H]1C ZINC001570433950 961972807 /nfs/dbraw/zinc/97/28/07/961972807.db2.gz DGGDBOXSHTZZSK-PBHICJAKSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 ZINC001570499053 961978480 /nfs/dbraw/zinc/97/84/80/961978480.db2.gz AYOKFAZMGMGHRV-DOTOQJQBSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)C[C@H](C)CC ZINC001570528491 961986903 /nfs/dbraw/zinc/98/69/03/961986903.db2.gz UJIBFIOZUXTZGT-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@@H]2C[N@H+](C)C[C@@H](F)CC)C1 ZINC001570541184 961988880 /nfs/dbraw/zinc/98/88/80/961988880.db2.gz ZDXZWMBRZHBXFG-LSDHHAIUSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@H]1C[N@@H+](C)CC=C(C)C ZINC001570540697 961989237 /nfs/dbraw/zinc/98/92/37/961989237.db2.gz RPKBXONPGJFYKK-FUHWJXTLSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)C1CCCC1 ZINC001570522184 961990284 /nfs/dbraw/zinc/99/02/84/961990284.db2.gz RSMGMCYOHRUYQF-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C1(F)CCCC1 ZINC001570720666 962055725 /nfs/dbraw/zinc/05/57/25/962055725.db2.gz XLNVRZXUUPFIFT-KGLIPLIRSA-N 1 1 284.419 3.060 20 30 CGEDMO CC(C)C#CC(=O)NC[C@@H](C)[N@@H+](C)CC1CCCCCC1 ZINC001570708817 962059309 /nfs/dbraw/zinc/05/93/09/962059309.db2.gz KQSRGALSVTXOHC-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@H](C)[N@H+](C)CCCC(C)C)C1 ZINC001570734128 962060371 /nfs/dbraw/zinc/06/03/71/962060371.db2.gz NMPQQDKCVGLQEY-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)C(C)(C)C1CCCC1 ZINC001570715448 962066262 /nfs/dbraw/zinc/06/62/62/962066262.db2.gz CXTKLFSAFUSDDC-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@H]1CCCCC[N@H+]1CCCF ZINC001570826659 962095347 /nfs/dbraw/zinc/09/53/47/962095347.db2.gz AXPHBEXKMRWOOY-OAHLLOKOSA-N 1 1 298.446 3.309 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)CC2(C)CCCCC2)C(C)(C)C1 ZINC001570898788 962106933 /nfs/dbraw/zinc/10/69/33/962106933.db2.gz BCKUQNGZEWLRCK-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC2(C1)CCC[N@H+](CCCCC)C2 ZINC001571039662 962118733 /nfs/dbraw/zinc/11/87/33/962118733.db2.gz WZIJLFBEUHQXFS-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC([N@H+](C)CC[C@@H](C)F)CC1 ZINC001571330929 962135355 /nfs/dbraw/zinc/13/53/55/962135355.db2.gz BPNXZLCQTXMRFQ-CQSZACIVSA-N 1 1 298.446 3.260 20 30 CGEDMO C=C(C)CCC(=O)N[C@]12CCC[C@H]1[N@@H+](CCC1CC1)CC2 ZINC001571500490 962164949 /nfs/dbraw/zinc/16/49/49/962164949.db2.gz DZDNUSBHWLSXCJ-AEFFLSMTSA-N 1 1 290.451 3.256 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)/C=C(\C)CC)CCC[C@@H]12 ZINC001571499009 962168336 /nfs/dbraw/zinc/16/83/36/962168336.db2.gz LPOXCYVJQBADLF-RHRXWLLISA-N 1 1 296.842 3.208 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)/C=C(\C)CC)CCC[C@@H]12 ZINC001571499009 962168350 /nfs/dbraw/zinc/16/83/50/962168350.db2.gz LPOXCYVJQBADLF-RHRXWLLISA-N 1 1 296.842 3.208 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)c1ccccc1F)C(C)C ZINC001571609686 962183141 /nfs/dbraw/zinc/18/31/41/962183141.db2.gz PURXCAIYZJYAPP-UHFFFAOYSA-N 1 1 292.398 3.184 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)[C@@H]1CCCC12CC2)C(C)C ZINC001571612838 962186616 /nfs/dbraw/zinc/18/66/16/962186616.db2.gz AQGUIDLBWBFHQN-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)[C@@H](C)c1ccc(C)o1)C(C)C ZINC001571615167 962187847 /nfs/dbraw/zinc/18/78/47/962187847.db2.gz HZGTZESIEVNGOH-HNNXBMFYSA-N 1 1 292.423 3.046 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC1=CC[N@@H+](C[C@@H](C)CC)CC1 ZINC001571692121 962215283 /nfs/dbraw/zinc/21/52/83/962215283.db2.gz ICHXJCXMXIKKIN-HNNXBMFYSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCCC(=O)NCC1=CC[N@@H+](CC2=CCCCC2)CC1 ZINC001571682743 962216300 /nfs/dbraw/zinc/21/63/00/962216300.db2.gz LMMTWUZODXQYFV-UHFFFAOYSA-N 1 1 288.435 3.201 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@H](n3cccn3)C2)cc1 ZINC000589747767 346810386 /nfs/dbraw/zinc/81/03/86/346810386.db2.gz GZJKIWAJOAOZHJ-KRWDZBQOSA-N 1 1 294.402 3.131 20 30 CGEDMO COCC(C)(C)[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000590019331 346822395 /nfs/dbraw/zinc/82/23/95/346822395.db2.gz GKSSKWZRGHDJKE-UHFFFAOYSA-N 1 1 274.408 3.345 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000590022556 346822467 /nfs/dbraw/zinc/82/24/67/346822467.db2.gz AKUZRARFEIPSLL-SFHVURJKSA-N 1 1 284.403 3.115 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000590593811 346853180 /nfs/dbraw/zinc/85/31/80/346853180.db2.gz JEMDZNYFHCBKHF-AEFFLSMTSA-N 1 1 286.419 3.465 20 30 CGEDMO COc1cccc2c1C[N@H+](Cc1ccc(C#N)cc1)CC2 ZINC000590660562 346860848 /nfs/dbraw/zinc/86/08/48/346860848.db2.gz KFPADDQLOVLUEY-UHFFFAOYSA-N 1 1 278.355 3.125 20 30 CGEDMO COc1cccc2c1C[N@@H+](Cc1ccc(C#N)cc1)CC2 ZINC000590660562 346860857 /nfs/dbraw/zinc/86/08/57/346860857.db2.gz KFPADDQLOVLUEY-UHFFFAOYSA-N 1 1 278.355 3.125 20 30 CGEDMO N#CC1(CC[N@H+]2CCC[C@H](n3ccnc3)C2)CCCCC1 ZINC000591013258 346894421 /nfs/dbraw/zinc/89/44/21/346894421.db2.gz OVEYAIZKALGYON-INIZCTEOSA-N 1 1 286.423 3.384 20 30 CGEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CC[C@@H](C3CCC3)C2)c1 ZINC000591062083 346898197 /nfs/dbraw/zinc/89/81/97/346898197.db2.gz UYOHXCUEWFOTQD-MRXNPFEDSA-N 1 1 297.402 3.009 20 30 CGEDMO CCc1cc(CCC[N@@H+](CCC#N)CCC(C)C)on1 ZINC000347747188 529527247 /nfs/dbraw/zinc/52/72/47/529527247.db2.gz ZKILXNUFSZXFTK-UHFFFAOYSA-N 1 1 277.412 3.431 20 30 CGEDMO COc1cc(C[N@H+]2CC[C@H](C3CCC3)C2)ccc1C#N ZINC000591267812 346913044 /nfs/dbraw/zinc/91/30/44/346913044.db2.gz BSDHSNKBPOPMOC-INIZCTEOSA-N 1 1 270.376 3.189 20 30 CGEDMO COc1cc(C[N@H+]2CC[C@@H](C3CCC3)C2)ccc1C#N ZINC000591267813 346912799 /nfs/dbraw/zinc/91/27/99/346912799.db2.gz BSDHSNKBPOPMOC-MRXNPFEDSA-N 1 1 270.376 3.189 20 30 CGEDMO C=CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623521165 349825842 /nfs/dbraw/zinc/82/58/42/349825842.db2.gz MBDFSCUULQWJJV-MRXNPFEDSA-N 1 1 288.435 3.214 20 30 CGEDMO C[N@@H+]1CC[C@@H](NCc2ccccc2C#N)[C@H]1c1ccccc1 ZINC000366989018 529795938 /nfs/dbraw/zinc/79/59/38/529795938.db2.gz VQNFAQCWGJVNAM-RTBURBONSA-N 1 1 291.398 3.093 20 30 CGEDMO C[N@H+]1CC[C@@H](NCc2ccccc2C#N)[C@H]1c1ccccc1 ZINC000366989018 529795939 /nfs/dbraw/zinc/79/59/39/529795939.db2.gz VQNFAQCWGJVNAM-RTBURBONSA-N 1 1 291.398 3.093 20 30 CGEDMO Cc1ccccc1[C@H]1CC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592066738 346959389 /nfs/dbraw/zinc/95/93/89/346959389.db2.gz NPLGNRRXSPOLID-INIZCTEOSA-N 1 1 277.371 3.251 20 30 CGEDMO Cc1cc(C)c([C@@H](C)[N@H+]2CC[C@](O)(CC#N)C2)c(C)c1 ZINC000592151565 346968011 /nfs/dbraw/zinc/96/80/11/346968011.db2.gz NPFFZAZEYXPRAB-NVXWUHKLSA-N 1 1 272.392 3.023 20 30 CGEDMO C[C@@H]1CC2(C[N@H+]1Cc1cc(C#N)ccc1F)CCOCC2 ZINC000592181077 346969438 /nfs/dbraw/zinc/96/94/38/346969438.db2.gz BRRYTSWQUCIWPY-CYBMUJFWSA-N 1 1 288.366 3.088 20 30 CGEDMO C=CCOc1cccc(CNC[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000623654534 349856682 /nfs/dbraw/zinc/85/66/82/349856682.db2.gz BVMRKYJNBDFULG-KRWDZBQOSA-N 1 1 288.435 3.073 20 30 CGEDMO C=CCOc1cccc(CNC[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000623654534 349856686 /nfs/dbraw/zinc/85/66/86/349856686.db2.gz BVMRKYJNBDFULG-KRWDZBQOSA-N 1 1 288.435 3.073 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000592195761 346971385 /nfs/dbraw/zinc/97/13/85/346971385.db2.gz UTGKKGMRKMREKT-OAHLLOKOSA-N 1 1 284.403 3.400 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCCC[C@H]2C2CCC2)ccn1 ZINC000592199428 346971489 /nfs/dbraw/zinc/97/14/89/346971489.db2.gz PEZZUUYWQIUHHG-INIZCTEOSA-N 1 1 255.365 3.108 20 30 CGEDMO C[N@@H+](CCCC#N)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000347466940 529879044 /nfs/dbraw/zinc/87/90/44/529879044.db2.gz DTKXIYRCKNBCDC-JKSUJKDBSA-N 1 1 272.392 3.468 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)CC2(CCCC2)O1 ZINC000592528722 346997615 /nfs/dbraw/zinc/99/76/15/346997615.db2.gz AXDNGTXXCXEDGF-GFCCVEGCSA-N 1 1 276.405 3.153 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)CC2(CCCC2)O1 ZINC000592528722 346997618 /nfs/dbraw/zinc/99/76/18/346997618.db2.gz AXDNGTXXCXEDGF-GFCCVEGCSA-N 1 1 276.405 3.153 20 30 CGEDMO CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1cc(C#N)ccc1C ZINC000592755457 347015678 /nfs/dbraw/zinc/01/56/78/347015678.db2.gz NVKPXDIOJZXYPW-CYBMUJFWSA-N 1 1 296.374 3.215 20 30 CGEDMO C[C@]1(c2cccc(F)c2)CC[N@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000593040843 347030981 /nfs/dbraw/zinc/03/09/81/347030981.db2.gz MPSAELIJPNFXPZ-XKQJLSEDSA-N 1 1 272.367 3.481 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCc2ccc(F)cc2[C@H](C)C1 ZINC000593116373 347041287 /nfs/dbraw/zinc/04/12/87/347041287.db2.gz LLTHBEWFCXLQMQ-OLZOCXBDSA-N 1 1 260.356 3.480 20 30 CGEDMO COc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)cc1OC ZINC000016377062 344886197 /nfs/dbraw/zinc/88/61/97/344886197.db2.gz TXNSVBNGGBICRX-UHFFFAOYSA-N 1 1 296.370 3.207 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1F)C(C1CC1)C1CC1 ZINC000050989042 345086236 /nfs/dbraw/zinc/08/62/36/345086236.db2.gz BLZMQGVEUPGZSP-UHFFFAOYSA-N 1 1 258.340 3.318 20 30 CGEDMO COc1ccccc1OCC[N@@H+](C)Cc1cccc(C#N)c1 ZINC000051401115 345090254 /nfs/dbraw/zinc/09/02/54/345090254.db2.gz NLILFAFITHTRTF-UHFFFAOYSA-N 1 1 296.370 3.078 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@H]1CCCCO1 ZINC000056312583 345162635 /nfs/dbraw/zinc/16/26/35/345162635.db2.gz DDYVCFKRIFVRBI-OAHLLOKOSA-N 1 1 263.356 3.383 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1F)C[C@H]1CCCCO1 ZINC000056312583 345162637 /nfs/dbraw/zinc/16/26/37/345162637.db2.gz DDYVCFKRIFVRBI-OAHLLOKOSA-N 1 1 263.356 3.383 20 30 CGEDMO COc1ccc2cc(C[NH2+]C[C@H](C)C#N)ccc2c1 ZINC000054179187 345130406 /nfs/dbraw/zinc/13/04/06/345130406.db2.gz OREDPRHGJULSKD-GFCCVEGCSA-N 1 1 254.333 3.098 20 30 CGEDMO CCC[N@@H+](CCCc1cnn(C)c1)Cc1ccc(C#N)cc1 ZINC000054316947 345133138 /nfs/dbraw/zinc/13/31/38/345133138.db2.gz STRXELMSPIPWMB-UHFFFAOYSA-N 1 1 296.418 3.137 20 30 CGEDMO N#Cc1ccc(NC[C@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000061846055 345235933 /nfs/dbraw/zinc/23/59/33/345235933.db2.gz NOEIKVCHTSOLOP-LLVKDONJSA-N 1 1 275.783 3.108 20 30 CGEDMO C[C@@H](CNc1ccc(Cl)c(C#N)n1)[N@H+]1CCC[C@H](C)C1 ZINC000067351264 345319186 /nfs/dbraw/zinc/31/91/86/345319186.db2.gz OAZVCKMILJYLEV-RYUDHWBXSA-N 1 1 292.814 3.139 20 30 CGEDMO Cc1[nH+]ccn1-c1ccccc1CNc1ncccc1C#N ZINC000064337398 345258867 /nfs/dbraw/zinc/25/88/67/345258867.db2.gz LLLIOTWQHKSWLV-UHFFFAOYSA-N 1 1 289.342 3.060 20 30 CGEDMO C=CC[N@H+](CCOCC(F)(F)F)Cc1cccc(C#N)c1 ZINC000068826741 345365122 /nfs/dbraw/zinc/36/51/22/345365122.db2.gz FQSNSZDLCKPVAF-UHFFFAOYSA-N 1 1 298.308 3.125 20 30 CGEDMO C=C(C)C[N@@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000070694592 345393394 /nfs/dbraw/zinc/39/33/94/345393394.db2.gz RUCZSTYMGCHNMP-AWEZNQCLSA-N 1 1 296.208 3.399 20 30 CGEDMO C=C(C)C[N@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000070694592 345393398 /nfs/dbraw/zinc/39/33/98/345393398.db2.gz RUCZSTYMGCHNMP-AWEZNQCLSA-N 1 1 296.208 3.399 20 30 CGEDMO Cc1ccccc1[C@H]1C[N@H+](CCCSCC#N)CCO1 ZINC000074991493 345489860 /nfs/dbraw/zinc/48/98/60/345489860.db2.gz PZRCODDEBJYSKU-MRXNPFEDSA-N 1 1 290.432 3.015 20 30 CGEDMO Cc1ccccc1[C@H]1C[N@@H+](CCCSCC#N)CCO1 ZINC000074991493 345489862 /nfs/dbraw/zinc/48/98/62/345489862.db2.gz PZRCODDEBJYSKU-MRXNPFEDSA-N 1 1 290.432 3.015 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCOCC1CC1 ZINC000076153725 345535889 /nfs/dbraw/zinc/53/58/89/345535889.db2.gz GFMDSZZTNOQLAK-ROUUACIJSA-N 1 1 284.403 3.185 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCOCC1CC1 ZINC000076153725 345535890 /nfs/dbraw/zinc/53/58/90/345535890.db2.gz GFMDSZZTNOQLAK-ROUUACIJSA-N 1 1 284.403 3.185 20 30 CGEDMO Cc1oc(NC(=O)[C@H](C)[N@H+](C)CCC(C)C)c(C#N)c1C ZINC000077211778 345560693 /nfs/dbraw/zinc/56/06/93/345560693.db2.gz QGHBGCYVRHVIGB-LBPRGKRZSA-N 1 1 291.395 3.073 20 30 CGEDMO CCC[C@H](C)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000075703180 345519295 /nfs/dbraw/zinc/51/92/95/345519295.db2.gz PFZPMEZQQKBFPJ-NSHDSACASA-N 1 1 293.798 3.271 20 30 CGEDMO CC(C)[C@@H]1CCC[N@@H+](Cc2ccnc(C#N)c2)CC1 ZINC000079342211 345637495 /nfs/dbraw/zinc/63/74/95/345637495.db2.gz DHMJMSSKOLEFQY-OAHLLOKOSA-N 1 1 257.381 3.211 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1ccccc1Cl ZINC000078709109 345619427 /nfs/dbraw/zinc/61/94/27/345619427.db2.gz UBUVBEMPFFFJAK-CYBMUJFWSA-N 1 1 294.826 3.415 20 30 CGEDMO C[C@H]1CCC[N@@H+](CCNc2ccc3cc(C#N)ccc3n2)C1 ZINC000092890868 345861457 /nfs/dbraw/zinc/86/14/57/345861457.db2.gz KRUIQBZYHMNXLQ-AWEZNQCLSA-N 1 1 294.402 3.250 20 30 CGEDMO C=CCCCCCN(C)c1cncc(-n2cc[nH+]c2C)n1 ZINC000092914994 345862208 /nfs/dbraw/zinc/86/22/08/345862208.db2.gz ATQALTJTYPXCCB-UHFFFAOYSA-N 1 1 285.395 3.153 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](CC)Cc2cnn(C)c2)cc1 ZINC000092437586 345839298 /nfs/dbraw/zinc/83/92/98/345839298.db2.gz BAGWDGFPYPMPDW-UHFFFAOYSA-N 1 1 285.391 3.007 20 30 CGEDMO C[C@@H](CCO)[N@@H+](Cc1ccccc1)Cc1ccccc1C#N ZINC000093303662 345874873 /nfs/dbraw/zinc/87/48/73/345874873.db2.gz LUAWYNDFCBAVMX-INIZCTEOSA-N 1 1 294.398 3.331 20 30 CGEDMO CC(C)(C)c1n[nH]cc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000105642584 345929451 /nfs/dbraw/zinc/92/94/51/345929451.db2.gz UEWOXPCPLHHVSL-UHFFFAOYSA-N 1 1 286.354 3.008 20 30 CGEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1ccccc1 ZINC000150880267 346134180 /nfs/dbraw/zinc/13/41/80/346134180.db2.gz BBAOJDIMFGIONY-UHFFFAOYSA-N 1 1 260.381 3.303 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccnn2-c2ccc(F)cc2)CCCC1 ZINC000593655158 347100856 /nfs/dbraw/zinc/10/08/56/347100856.db2.gz ZYQUUBNERGOHRE-UHFFFAOYSA-N 1 1 298.365 3.185 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](CCCOCc2ccccc2)C1 ZINC000397677612 346584076 /nfs/dbraw/zinc/58/40/76/346584076.db2.gz LCSGUIMFXSUIDV-INIZCTEOSA-N 1 1 272.392 3.219 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](CCCOc2ccccc2)C1 ZINC000397823605 346585468 /nfs/dbraw/zinc/58/54/68/346585468.db2.gz LNHTWBIRHBFTJY-OAHLLOKOSA-N 1 1 258.365 3.081 20 30 CGEDMO C[C@H](C(=O)N(CCC#N)CC(C)(C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000412224179 346607542 /nfs/dbraw/zinc/60/75/42/346607542.db2.gz ZJDBRQJEBYTKOG-QLFBSQMISA-N 1 1 293.455 3.036 20 30 CGEDMO CCC[N@@H+]1CCC[C@H]1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000586795738 346737019 /nfs/dbraw/zinc/73/70/19/346737019.db2.gz WOPSLHIFSTUMQQ-HKUYNNGSSA-N 1 1 297.446 3.400 20 30 CGEDMO CCC[N@H+]1CCC[C@H]1CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000586795738 346737020 /nfs/dbraw/zinc/73/70/20/346737020.db2.gz WOPSLHIFSTUMQQ-HKUYNNGSSA-N 1 1 297.446 3.400 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCCCNc1ccnc(C#N)c1 ZINC000587240101 346742602 /nfs/dbraw/zinc/74/26/02/346742602.db2.gz FDIRYCCKCFRRIL-AWEZNQCLSA-N 1 1 272.396 3.020 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)Cc1ccc2c[nH]nc2c1 ZINC000119165663 370651115 /nfs/dbraw/zinc/65/11/15/370651115.db2.gz QHJBWMVECOPSDW-UHFFFAOYSA-N 1 1 270.380 3.325 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)Cc1ccc2c[nH]nc2c1 ZINC000119165663 370651119 /nfs/dbraw/zinc/65/11/19/370651119.db2.gz QHJBWMVECOPSDW-UHFFFAOYSA-N 1 1 270.380 3.325 20 30 CGEDMO COc1cccc(OC)c1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000594713664 347212525 /nfs/dbraw/zinc/21/25/25/347212525.db2.gz UYATYPMDUVINTD-CYBMUJFWSA-N 1 1 296.370 3.426 20 30 CGEDMO CCN1CCC([NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594493424 347177859 /nfs/dbraw/zinc/17/78/59/347177859.db2.gz MVIUNQCLWUHUGZ-UHFFFAOYSA-N 1 1 285.435 3.062 20 30 CGEDMO CC[NH+]1CCC(NCc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594493424 347177861 /nfs/dbraw/zinc/17/78/61/347177861.db2.gz MVIUNQCLWUHUGZ-UHFFFAOYSA-N 1 1 285.435 3.062 20 30 CGEDMO C[C@@H]1Cc2[nH+]cn(CCc3ccc(C#N)cc3)c2C[C@H]1C ZINC000594900224 347225195 /nfs/dbraw/zinc/22/51/95/347225195.db2.gz QQXIICRUQAYZIF-ZIAGYGMSSA-N 1 1 279.387 3.368 20 30 CGEDMO C[N@@H+](CCOc1ccc(F)cc1)CCc1ccc(C#N)cc1 ZINC000595285163 347286450 /nfs/dbraw/zinc/28/64/50/347286450.db2.gz MXOYYMBZQPRZBD-UHFFFAOYSA-N 1 1 298.361 3.251 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCS[C@H]3CCCC[C@@H]32)cc1 ZINC000595337917 347293918 /nfs/dbraw/zinc/29/39/18/347293918.db2.gz DFXKOTIGRSWZQM-IRXDYDNUSA-N 1 1 286.444 3.461 20 30 CGEDMO CO[C@@H](C[N@H+](C[C@@H](C)C#N)C1CC1)C1CCCCC1 ZINC000595387243 347297958 /nfs/dbraw/zinc/29/79/58/347297958.db2.gz CQDPTBJPTIKHLU-BBRMVZONSA-N 1 1 264.413 3.206 20 30 CGEDMO CO[C@@H](C[N@@H+](C[C@@H](C)C#N)C1CC1)C1CCCCC1 ZINC000595387243 347297961 /nfs/dbraw/zinc/29/79/61/347297961.db2.gz CQDPTBJPTIKHLU-BBRMVZONSA-N 1 1 264.413 3.206 20 30 CGEDMO N#Cc1ccc(CC[N@@H+](Cc2cccnc2)C2CC2)cc1 ZINC000595397781 347298594 /nfs/dbraw/zinc/29/85/94/347298594.db2.gz LRHRMKNTDZCGRS-UHFFFAOYSA-N 1 1 277.371 3.160 20 30 CGEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595404665 347299379 /nfs/dbraw/zinc/29/93/79/347299379.db2.gz RRGOJYDIQHCSFN-KRWDZBQOSA-N 1 1 294.402 3.278 20 30 CGEDMO C[C@H]1C[C@H](C)CN(CC[NH2+]C2(c3cccc(C#N)c3)CC2)C1 ZINC000595418064 347300089 /nfs/dbraw/zinc/30/00/89/347300089.db2.gz OFCLJGWMNDUNOK-HOTGVXAUSA-N 1 1 297.446 3.115 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CC[C@H](Cc3ccncc3)C2)cc1 ZINC000595426624 347301654 /nfs/dbraw/zinc/30/16/54/347301654.db2.gz QQZDTHZEUUMZOC-LJQANCHMSA-N 1 1 291.398 3.060 20 30 CGEDMO CC[C@@H](C)[N@@H+](CC)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000595598529 347323611 /nfs/dbraw/zinc/32/36/11/347323611.db2.gz FXNRVUPNXSJDNG-RHSMWYFYSA-N 1 1 299.418 3.174 20 30 CGEDMO C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595611139 347326751 /nfs/dbraw/zinc/32/67/51/347326751.db2.gz HJQQSOZXOLGGOG-KBPBESRZSA-N 1 1 296.374 3.423 20 30 CGEDMO C[C@@H](c1nnc(-c2ccccc2)o1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595611139 347326756 /nfs/dbraw/zinc/32/67/56/347326756.db2.gz HJQQSOZXOLGGOG-KBPBESRZSA-N 1 1 296.374 3.423 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000595615165 347327830 /nfs/dbraw/zinc/32/78/30/347327830.db2.gz POHDRPSPQHKTAG-LBPRGKRZSA-N 1 1 280.318 3.414 20 30 CGEDMO CC(C)CSCCC[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595621714 347329403 /nfs/dbraw/zinc/32/94/03/347329403.db2.gz XWWCFJTZPRASIJ-AWEZNQCLSA-N 1 1 254.443 3.391 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](C(=O)OC)[C@H]2CCCC[C@H]21 ZINC000595733088 347348817 /nfs/dbraw/zinc/34/88/17/347348817.db2.gz QUEIRDRVLOXZIE-QLFBSQMISA-N 1 1 265.397 3.006 20 30 CGEDMO COc1cccc([C@]2(C)CC[N@H+](C[C@H](C#N)CCC#N)C2)c1 ZINC000595771012 347353193 /nfs/dbraw/zinc/35/31/93/347353193.db2.gz YSHAFLLGPXNPMK-MAUKXSAKSA-N 1 1 297.402 3.102 20 30 CGEDMO COc1cccc([C@]2(C)CC[N@@H+](C[C@H](C#N)CCC#N)C2)c1 ZINC000595771012 347353195 /nfs/dbraw/zinc/35/31/95/347353195.db2.gz YSHAFLLGPXNPMK-MAUKXSAKSA-N 1 1 297.402 3.102 20 30 CGEDMO C=CCC1([NH2+]Cc2noc(C)c2C(=O)OCC)CCCC1 ZINC000595779577 347354863 /nfs/dbraw/zinc/35/48/63/347354863.db2.gz AGGZRKXQVQCFMI-UHFFFAOYSA-N 1 1 292.379 3.138 20 30 CGEDMO C[C@@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C[C@H](C)O1 ZINC000595779728 347355423 /nfs/dbraw/zinc/35/54/23/347355423.db2.gz GVMXUDJXOXBLCX-CABCVRRESA-N 1 1 264.413 3.350 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)cc1 ZINC000595786820 347355974 /nfs/dbraw/zinc/35/59/74/347355974.db2.gz HSVPTKWJGRPUGI-ZWKOTPCHSA-N 1 1 284.403 3.339 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)cc1 ZINC000595786863 347356205 /nfs/dbraw/zinc/35/62/05/347356205.db2.gz IAEBWGGPCSPINM-RBUKOAKNSA-N 1 1 298.430 3.382 20 30 CGEDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595467519 347307508 /nfs/dbraw/zinc/30/75/08/347307508.db2.gz HMWQNLSZNTYWHX-RISCZKNCSA-N 1 1 282.309 3.373 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@H+](C[C@@H]1CC[C@H]3C[C@H]3C1)C2 ZINC000595559053 347319212 /nfs/dbraw/zinc/31/92/12/347319212.db2.gz CXOVWVGMJCFBIX-IJEWVQPXSA-N 1 1 252.361 3.310 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000595811573 347358074 /nfs/dbraw/zinc/35/80/74/347358074.db2.gz VFJXAFLMAWRPGX-HUUCEWRRSA-N 1 1 254.377 3.330 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@@H]1COc1ccc(C#N)cc1 ZINC000596239520 347402904 /nfs/dbraw/zinc/40/29/04/347402904.db2.gz RPQWMQLUPIEPMX-OAHLLOKOSA-N 1 1 258.365 3.200 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](C[C@@H]2CCc3ccccc3C2)C1 ZINC000595844565 347367362 /nfs/dbraw/zinc/36/73/62/347367362.db2.gz VBQCKJYEYYPNSF-PBHICJAKSA-N 1 1 254.377 3.027 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C(=O)OC)c1ccsc1 ZINC000595845984 347367466 /nfs/dbraw/zinc/36/74/66/347367466.db2.gz YUNGGHCHAOQFDL-HZSPNIEDSA-N 1 1 277.389 3.145 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C(=O)OC)c1ccsc1 ZINC000595845984 347367468 /nfs/dbraw/zinc/36/74/68/347367468.db2.gz YUNGGHCHAOQFDL-HZSPNIEDSA-N 1 1 277.389 3.145 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCC[C@H]2CC2CCC2)nc1 ZINC000595869485 347368972 /nfs/dbraw/zinc/36/89/72/347368972.db2.gz AYXGDFADDOTAGK-KRWDZBQOSA-N 1 1 269.392 3.498 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CC1=CCSC1 ZINC000595888850 347370853 /nfs/dbraw/zinc/37/08/53/347370853.db2.gz PEHCVTHJMIFOGF-LBPRGKRZSA-N 1 1 258.390 3.224 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC1=CCSC1 ZINC000595888474 347371105 /nfs/dbraw/zinc/37/11/05/347371105.db2.gz NAJJHFBUUJUHSH-GFCCVEGCSA-N 1 1 258.390 3.224 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000595920921 347372700 /nfs/dbraw/zinc/37/27/00/347372700.db2.gz UVRJTZOQXHOCQF-LRDDRELGSA-N 1 1 294.345 3.111 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000595920921 347372701 /nfs/dbraw/zinc/37/27/01/347372701.db2.gz UVRJTZOQXHOCQF-LRDDRELGSA-N 1 1 294.345 3.111 20 30 CGEDMO CCC[N@@H+](C)CC(C)(C)Nc1ccc(Cl)c(C#N)n1 ZINC000596542192 347477155 /nfs/dbraw/zinc/47/71/55/347477155.db2.gz KFGJJJSOLZJJOD-UHFFFAOYSA-N 1 1 280.803 3.139 20 30 CGEDMO C=CCCSCCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000596649742 347498528 /nfs/dbraw/zinc/49/85/28/347498528.db2.gz GNHNKLJXSHJQHC-CABCVRRESA-N 1 1 262.422 3.030 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000597177912 347545072 /nfs/dbraw/zinc/54/50/72/347545072.db2.gz SAPNHBQTWZMNTI-TZMCWYRMSA-N 1 1 291.420 3.120 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000597177912 347545075 /nfs/dbraw/zinc/54/50/75/347545075.db2.gz SAPNHBQTWZMNTI-TZMCWYRMSA-N 1 1 291.420 3.120 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@H](CC#N)C2)cc(C)c1O ZINC000597176943 347545122 /nfs/dbraw/zinc/54/51/22/347545122.db2.gz JTVDIJLPLPQKET-CQSZACIVSA-N 1 1 258.365 3.135 20 30 CGEDMO C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)C[C@H]1CCCC[C@H]1O ZINC000597073773 347533296 /nfs/dbraw/zinc/53/32/96/347533296.db2.gz AMSXYVGGQQMINI-SJLPKXTDSA-N 1 1 298.430 3.225 20 30 CGEDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597108168 347535883 /nfs/dbraw/zinc/53/58/83/347535883.db2.gz BFRYPOOOKIVCGX-RKVPGOIHSA-N 1 1 298.430 3.223 20 30 CGEDMO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597117525 347536179 /nfs/dbraw/zinc/53/61/79/347536179.db2.gz USKMKCCZZWGZPV-MAUKXSAKSA-N 1 1 298.430 3.367 20 30 CGEDMO CC[N@H+](Cc1ccc(C2(C#N)CC2)cc1)C[C@H](C)OC ZINC000597128680 347538453 /nfs/dbraw/zinc/53/84/53/347538453.db2.gz CSZUWFKGJQWJLL-AWEZNQCLSA-N 1 1 272.392 3.099 20 30 CGEDMO CCOc1ccc(C[NH2+]CC2(C#N)CCC2)c(C)c1 ZINC000597153009 347540749 /nfs/dbraw/zinc/54/07/49/347540749.db2.gz GAENXTZRLQOYAJ-UHFFFAOYSA-N 1 1 258.365 3.177 20 30 CGEDMO C[C@H](CCc1ccccc1)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000597232036 347559716 /nfs/dbraw/zinc/55/97/16/347559716.db2.gz RCCPQUAVGLPXHT-NVXWUHKLSA-N 1 1 256.393 3.491 20 30 CGEDMO C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(C#N)c(F)c1 ZINC000599069293 347714015 /nfs/dbraw/zinc/71/40/15/347714015.db2.gz FKFNZXZYXKICKQ-KBPBESRZSA-N 1 1 289.398 3.080 20 30 CGEDMO C[C@@H]1CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)[C@H](c2ccco2)C1 ZINC000598594306 347668284 /nfs/dbraw/zinc/66/82/84/347668284.db2.gz FROQVICJEVQFIS-ILXRZTDVSA-N 1 1 290.407 3.353 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000598592798 347668313 /nfs/dbraw/zinc/66/83/13/347668313.db2.gz NGZGCFBVWOUUCL-HUUCEWRRSA-N 1 1 290.407 3.497 20 30 CGEDMO CC(C)C[C@H]1CCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598594095 347668535 /nfs/dbraw/zinc/66/85/35/347668535.db2.gz YXBLCYNOPWAWND-CABCVRRESA-N 1 1 266.429 3.045 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CC(C)(C)[C@@H]1c1ccccc1 ZINC000598597999 347669185 /nfs/dbraw/zinc/66/91/85/347669185.db2.gz LVPHVGFGRXVWFK-CVEARBPZSA-N 1 1 286.419 3.370 20 30 CGEDMO N#CC[C@@]1(O)CC[N@@H+](CCCCc2cccc(Cl)c2)C1 ZINC000598623672 347672375 /nfs/dbraw/zinc/67/23/75/347672375.db2.gz ARZVTJWKQKKJPZ-MRXNPFEDSA-N 1 1 292.810 3.013 20 30 CGEDMO C[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000598623101 347672393 /nfs/dbraw/zinc/67/23/93/347672393.db2.gz VBTQNDQKDIGSAS-RBSFLKMASA-N 1 1 280.456 3.434 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000598620201 347672463 /nfs/dbraw/zinc/67/24/63/347672463.db2.gz JOXIQMFOMONZEJ-HIFRSBDPSA-N 1 1 288.391 3.107 20 30 CGEDMO C[C@H](c1ccncc1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678046 347765311 /nfs/dbraw/zinc/76/53/11/347765311.db2.gz FXAOTSVJLISHCA-CQSZACIVSA-N 1 1 277.371 3.267 20 30 CGEDMO Cc1nc(NC[C@H]2CCCC[N@H+](C)C2)c(Cl)cc1C#N ZINC000599142348 347720544 /nfs/dbraw/zinc/72/05/44/347720544.db2.gz VTVRVBJULVHECK-GFCCVEGCSA-N 1 1 292.814 3.059 20 30 CGEDMO COCC[N@H+](Cc1ccco1)Cc1ccc(C)c(C#N)c1 ZINC000599268078 347730167 /nfs/dbraw/zinc/73/01/67/347730167.db2.gz XVSGSWYZOMQCAY-UHFFFAOYSA-N 1 1 284.359 3.108 20 30 CGEDMO COCC[N@@H+](Cc1ccco1)Cc1ccc(C)c(C#N)c1 ZINC000599268078 347730170 /nfs/dbraw/zinc/73/01/70/347730170.db2.gz XVSGSWYZOMQCAY-UHFFFAOYSA-N 1 1 284.359 3.108 20 30 CGEDMO Cc1ccc(C[N@@H+](C)CCC(=O)OC(C)(C)C)cc1C#N ZINC000599313243 347734099 /nfs/dbraw/zinc/73/40/99/347734099.db2.gz WFOGFPZNGJPISF-UHFFFAOYSA-N 1 1 288.391 3.030 20 30 CGEDMO CC[C@@H](CSC)[N@@H+](C)Cc1ccc(C)c(C#N)c1 ZINC000599345378 347737807 /nfs/dbraw/zinc/73/78/07/347737807.db2.gz PMNNDQFOLQQJFX-HNNXBMFYSA-N 1 1 262.422 3.440 20 30 CGEDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C)c(C#N)c2)C12CCC2 ZINC000599434851 347744865 /nfs/dbraw/zinc/74/48/65/347744865.db2.gz JWVUXHBPAJJQJK-SJORKVTESA-N 1 1 284.403 3.256 20 30 CGEDMO CCOC[C@H]1CCCC[N@H+]1Cc1ccc(C)c(C#N)c1 ZINC000599437761 347745697 /nfs/dbraw/zinc/74/56/97/347745697.db2.gz MASWKBKSVWGCMF-QGZVFWFLSA-N 1 1 272.392 3.258 20 30 CGEDMO C[C@@H]1C[N@H+](CCc2ccc(C#N)cc2)C[C@H](C)C1(F)F ZINC000599515377 347749832 /nfs/dbraw/zinc/74/98/32/347749832.db2.gz UCMDEAAAJBNXCC-BETUJISGSA-N 1 1 278.346 3.324 20 30 CGEDMO Cc1cc(C[N@H+]2CCCC(F)(F)CC2)ccc1C#N ZINC000599551893 347753748 /nfs/dbraw/zinc/75/37/48/347753748.db2.gz CFCJZUNJYPDLRX-UHFFFAOYSA-N 1 1 264.319 3.488 20 30 CGEDMO C[N@H+](Cc1ccc2c(c1)OC(F)(F)O2)[C@H]1CCC[C@@H]1C#N ZINC000600860593 347842008 /nfs/dbraw/zinc/84/20/08/347842008.db2.gz XYIBLRIRMFASTQ-NEPJUHHUSA-N 1 1 294.301 3.132 20 30 CGEDMO C[N@@H+](Cc1ccc2c(c1)OC(F)(F)O2)[C@H]1CCC[C@@H]1C#N ZINC000600860593 347842009 /nfs/dbraw/zinc/84/20/09/347842009.db2.gz XYIBLRIRMFASTQ-NEPJUHHUSA-N 1 1 294.301 3.132 20 30 CGEDMO CC[C@H]1CCC[N@H+]1Cc1ccc(-c2cnn(CC#N)c2)cc1 ZINC000600774989 347833127 /nfs/dbraw/zinc/83/31/27/347833127.db2.gz IIULPJRQQCCTGN-SFHVURJKSA-N 1 1 294.402 3.448 20 30 CGEDMO COc1cc2c(cc1OC)C[N@@H+](C[C@@H](C)CCC#N)CC2 ZINC000602431406 347957381 /nfs/dbraw/zinc/95/73/81/347957381.db2.gz CYQZCGSZQXNGDO-ZDUSSCGKSA-N 1 1 288.391 3.002 20 30 CGEDMO CC(C)[N@H+](Cc1ccns1)Cc1ccc(C#N)cc1 ZINC000602441749 347959138 /nfs/dbraw/zinc/95/91/38/347959138.db2.gz ZDVTYTPYKMGYAX-UHFFFAOYSA-N 1 1 271.389 3.425 20 30 CGEDMO CC(C)[N@@H+](Cc1ccns1)Cc1ccc(C#N)cc1 ZINC000602441749 347959143 /nfs/dbraw/zinc/95/91/43/347959143.db2.gz ZDVTYTPYKMGYAX-UHFFFAOYSA-N 1 1 271.389 3.425 20 30 CGEDMO CCC(CC)C[N@H+](CCC#N)CCC[C@H]1CCO1 ZINC000602466002 347962892 /nfs/dbraw/zinc/96/28/92/347962892.db2.gz SQBONQZHQLOSHW-HNNXBMFYSA-N 1 1 252.402 3.207 20 30 CGEDMO CCS[C@@H]1CCCC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602471755 347963561 /nfs/dbraw/zinc/96/35/61/347963561.db2.gz HSFSWRQECZHQDI-OAHLLOKOSA-N 1 1 275.421 3.061 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000602477200 347965293 /nfs/dbraw/zinc/96/52/93/347965293.db2.gz RRIUZAIQBPBLHI-AEFFLSMTSA-N 1 1 285.435 3.133 20 30 CGEDMO CCc1cnc(C[N@@H+](C)C[C@@H](C)CCC#N)s1 ZINC000602479839 347966099 /nfs/dbraw/zinc/96/60/99/347966099.db2.gz QJGCEWXHSQULLS-NSHDSACASA-N 1 1 251.399 3.077 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000602480924 347966191 /nfs/dbraw/zinc/96/61/91/347966191.db2.gz AGVNFGQZVWGODE-GJZGRUSLSA-N 1 1 294.439 3.370 20 30 CGEDMO C[C@]1(C#N)CCC[N@H+](Cc2cccc3ncccc23)C1 ZINC000602611563 347993951 /nfs/dbraw/zinc/99/39/51/347993951.db2.gz WVEMEROBCDUAFN-QGZVFWFLSA-N 1 1 265.360 3.360 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000602611563 347993952 /nfs/dbraw/zinc/99/39/52/347993952.db2.gz WVEMEROBCDUAFN-QGZVFWFLSA-N 1 1 265.360 3.360 20 30 CGEDMO CC[N@@H+](Cc1cccc(C#N)n1)[C@H](C)Cc1ccsc1 ZINC000602622601 347996189 /nfs/dbraw/zinc/99/61/89/347996189.db2.gz BANOTRBAPBTSLJ-CYBMUJFWSA-N 1 1 285.416 3.468 20 30 CGEDMO Cc1cnc(C2CC[NH+](Cc3cccc(C#N)n3)CC2)s1 ZINC000602633184 347997792 /nfs/dbraw/zinc/99/77/92/347997792.db2.gz LREIRHKPQYKPRA-UHFFFAOYSA-N 1 1 298.415 3.098 20 30 CGEDMO CCC[C@]1(C(=O)OCC)CCC[N@H+]1C[C@H](C)CCC#N ZINC000602637167 347998432 /nfs/dbraw/zinc/99/84/32/347998432.db2.gz LPRMOZPMTIXPIP-GDBMZVCRSA-N 1 1 280.412 3.124 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000602691036 348009697 /nfs/dbraw/zinc/00/96/97/348009697.db2.gz BDTBTVOCEAQUCK-KBPBESRZSA-N 1 1 255.365 3.491 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000602694277 348010579 /nfs/dbraw/zinc/01/05/79/348010579.db2.gz YVHUBPCRESFQTQ-GDBMZVCRSA-N 1 1 276.424 3.207 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@H+](CC1CCSCC1)C2 ZINC000602708470 348014432 /nfs/dbraw/zinc/01/44/32/348014432.db2.gz HOUAKLBJHYOSFO-UHFFFAOYSA-N 1 1 258.390 3.017 20 30 CGEDMO N#CCC1(C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000602787669 348029388 /nfs/dbraw/zinc/02/93/88/348029388.db2.gz WAIIDONLIUQGMU-IRXDYDNUSA-N 1 1 279.387 3.452 20 30 CGEDMO N#CCC1(C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000602787669 348029390 /nfs/dbraw/zinc/02/93/90/348029390.db2.gz WAIIDONLIUQGMU-IRXDYDNUSA-N 1 1 279.387 3.452 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@@H](N(C)c2ccccc2)C1 ZINC000602719229 348016618 /nfs/dbraw/zinc/01/66/18/348016618.db2.gz WMLZMPAUMJAHHW-DOTOQJQBSA-N 1 1 271.408 3.137 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000602720214 348017250 /nfs/dbraw/zinc/01/72/50/348017250.db2.gz DUUDXKUWLSPINN-ZDUSSCGKSA-N 1 1 286.423 3.072 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CC[C@@H](O)C[C@@H]2c2ccccc2)c1 ZINC000602730291 348020150 /nfs/dbraw/zinc/02/01/50/348020150.db2.gz FBRTVQPJPBMTRI-NVXWUHKLSA-N 1 1 298.411 3.318 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCO[C@@H]1C ZINC000602763599 348025248 /nfs/dbraw/zinc/02/52/48/348025248.db2.gz QQWWODXTHJJBGU-PBHICJAKSA-N 1 1 272.392 3.195 20 30 CGEDMO N#Cc1cccc(C[NH2+]C2(c3cccc(Cl)c3)CC2)n1 ZINC000602550971 347980684 /nfs/dbraw/zinc/98/06/84/347980684.db2.gz GKKSNAZMKOIILS-UHFFFAOYSA-N 1 1 283.762 3.386 20 30 CGEDMO CC(C)[C@@H](CO)[N@@H+](Cc1ccccc1)CC1(CC#N)CC1 ZINC000602777058 348027496 /nfs/dbraw/zinc/02/74/96/348027496.db2.gz IUKJIHMXSMLSBU-QGZVFWFLSA-N 1 1 286.419 3.199 20 30 CGEDMO N#CCC1(C[NH+]2CC(c3nc4ccccc4s3)C2)CC1 ZINC000602798562 348030262 /nfs/dbraw/zinc/03/02/62/348030262.db2.gz LEAXVAWPJPJVEW-UHFFFAOYSA-N 1 1 283.400 3.389 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CC(C)(C)CO1 ZINC000602844667 348036454 /nfs/dbraw/zinc/03/64/54/348036454.db2.gz FUBKMIJYKZYYBH-BBRMVZONSA-N 1 1 272.392 3.366 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](c3cccnc3)C2)c1F ZINC000602855808 348037055 /nfs/dbraw/zinc/03/70/55/348037055.db2.gz PNHHVBFCKZWOLU-MRXNPFEDSA-N 1 1 295.361 3.472 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3cccnc3)C2)cc1F ZINC000602857647 348037729 /nfs/dbraw/zinc/03/77/29/348037729.db2.gz WYBXSYWXZPRRBL-QGZVFWFLSA-N 1 1 295.361 3.472 20 30 CGEDMO C[C@@H](CC#N)[NH2+]CCOc1cc(Cl)ccc1Cl ZINC000602863746 348038511 /nfs/dbraw/zinc/03/85/11/348038511.db2.gz PRYLHKYEKGJXJW-VIFPVBQESA-N 1 1 273.163 3.264 20 30 CGEDMO COc1cncc(/C=C\CC[N@@H+](C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000602982620 348052170 /nfs/dbraw/zinc/05/21/70/348052170.db2.gz VOFOUBGFCGUEJX-ZFZABWBQSA-N 1 1 285.391 3.118 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@@H]2CCCn3nccc32)c(Cl)c1 ZINC000603028734 348054587 /nfs/dbraw/zinc/05/45/87/348054587.db2.gz FUPWUHBCSUWANY-CQSZACIVSA-N 1 1 286.766 3.033 20 30 CGEDMO C=CCCCCC[N@H+](C)CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000606902743 348206553 /nfs/dbraw/zinc/20/65/53/348206553.db2.gz ZGNSPVVFSZURNV-IYBDPMFKSA-N 1 1 280.456 3.169 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@H]2c2cccc(F)c2)ccn1 ZINC000610991404 348414315 /nfs/dbraw/zinc/41/43/15/348414315.db2.gz IUNDRGQZEHGAII-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)ccn1 ZINC000610991404 348414318 /nfs/dbraw/zinc/41/43/18/348414318.db2.gz IUNDRGQZEHGAII-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)ccn1 ZINC000610992998 348415195 /nfs/dbraw/zinc/41/51/95/348415195.db2.gz ZACXRFAMFBNQQL-CQSZACIVSA-N 1 1 281.334 3.082 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)ccn1 ZINC000610992572 348415225 /nfs/dbraw/zinc/41/52/25/348415225.db2.gz RMLOEKKSNKUMMV-HNNXBMFYSA-N 1 1 281.334 3.082 20 30 CGEDMO CCC[C@]1(C)CCC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000610993751 348415974 /nfs/dbraw/zinc/41/59/74/348415974.db2.gz HCZLPJHJXQUGAN-MRXNPFEDSA-N 1 1 257.381 3.355 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCSC3(CCCCC3)C2)ccn1 ZINC000610994407 348416123 /nfs/dbraw/zinc/41/61/23/348416123.db2.gz GGOWSYLOHHPSBS-UHFFFAOYSA-N 1 1 287.432 3.205 20 30 CGEDMO CCC[C@@H](C)[C@H]1CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610994541 348416817 /nfs/dbraw/zinc/41/68/17/348416817.db2.gz SYIPQSCAQHXVDC-CZUORRHYSA-N 1 1 257.381 3.354 20 30 CGEDMO C[C@]1(c2ccccc2)CC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000610994820 348417165 /nfs/dbraw/zinc/41/71/65/348417165.db2.gz RVPJDQJYFVKOFJ-SFHVURJKSA-N 1 1 277.371 3.117 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccnc(C#N)c1)c1ccc(F)cc1F ZINC000611376463 348442238 /nfs/dbraw/zinc/44/22/38/348442238.db2.gz HORUODHZMQRHBT-SNVBAGLBSA-N 1 1 273.286 3.082 20 30 CGEDMO CC[C@H](C)[N@H+](C)CCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000611391855 348445132 /nfs/dbraw/zinc/44/51/32/348445132.db2.gz BUGGQOQRTBERHS-KSSFIOAISA-N 1 1 285.435 3.256 20 30 CGEDMO CC[C@H](C)[N@@H+](C)CCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000611391855 348445134 /nfs/dbraw/zinc/44/51/34/348445134.db2.gz BUGGQOQRTBERHS-KSSFIOAISA-N 1 1 285.435 3.256 20 30 CGEDMO Cc1cccc(-c2noc(C[NH+]3CCC(CC#N)CC3)n2)c1 ZINC000611687973 348466935 /nfs/dbraw/zinc/46/69/35/348466935.db2.gz MVFANPXOFURIBN-UHFFFAOYSA-N 1 1 296.374 3.171 20 30 CGEDMO Cc1ccccc1OCCC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612155144 348497915 /nfs/dbraw/zinc/49/79/15/348497915.db2.gz QLNIWGNILLCXBJ-QGZVFWFLSA-N 1 1 272.392 3.390 20 30 CGEDMO Cc1ccccc1OCCC[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612155144 348497917 /nfs/dbraw/zinc/49/79/17/348497917.db2.gz QLNIWGNILLCXBJ-QGZVFWFLSA-N 1 1 272.392 3.390 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000612406565 348517354 /nfs/dbraw/zinc/51/73/54/348517354.db2.gz PVLSDZYBWXQWNP-WMLDXEAASA-N 1 1 270.376 3.178 20 30 CGEDMO COCC[N@@H+](CCC#N)C[C@H](C)CC1CCCCC1 ZINC000612577433 348529423 /nfs/dbraw/zinc/52/94/23/348529423.db2.gz LTPFRFRQXSYEKK-OAHLLOKOSA-N 1 1 266.429 3.455 20 30 CGEDMO C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000614247866 348662253 /nfs/dbraw/zinc/66/22/53/348662253.db2.gz MIGCHBHKLLXBLL-NVXWUHKLSA-N 1 1 256.393 3.491 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](C(F)F)C2)c(Cl)c1 ZINC000615226982 348725235 /nfs/dbraw/zinc/72/52/35/348725235.db2.gz LYVKPBKZNZMDNW-LLVKDONJSA-N 1 1 270.710 3.299 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](C(F)F)C2)c(Cl)c1 ZINC000615226982 348725240 /nfs/dbraw/zinc/72/52/40/348725240.db2.gz LYVKPBKZNZMDNW-LLVKDONJSA-N 1 1 270.710 3.299 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000614397527 348673299 /nfs/dbraw/zinc/67/32/99/348673299.db2.gz BWXUWNNXGRIYFG-IBGZPJMESA-N 1 1 292.382 3.440 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000614397527 348673301 /nfs/dbraw/zinc/67/33/01/348673301.db2.gz BWXUWNNXGRIYFG-IBGZPJMESA-N 1 1 292.382 3.440 20 30 CGEDMO CCn1ccc(C[N@H+](C)Cc2cccc(C#N)c2F)c1 ZINC000616786069 348877723 /nfs/dbraw/zinc/87/77/23/348877723.db2.gz CSEJBQKLCCMUBJ-UHFFFAOYSA-N 1 1 271.339 3.151 20 30 CGEDMO CCn1ccc(C[N@@H+](C)Cc2cccc(C#N)c2F)c1 ZINC000616786069 348877726 /nfs/dbraw/zinc/87/77/26/348877726.db2.gz CSEJBQKLCCMUBJ-UHFFFAOYSA-N 1 1 271.339 3.151 20 30 CGEDMO Cc1cc(C[N@H+]2CC[C@@H](C3CCOCC3)C2)ccc1C#N ZINC000336580229 213479807 /nfs/dbraw/zinc/47/98/07/213479807.db2.gz NRXGSBYBLWRRQK-GOSISDBHSA-N 1 1 284.403 3.115 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000618888354 349176276 /nfs/dbraw/zinc/17/62/76/349176276.db2.gz WIPMUWILUKVMAE-FUHWJXTLSA-N 1 1 286.419 3.260 20 30 CGEDMO C[C@@H](C#N)C[N@H+](Cc1ccc2cnccc2c1)C1CC1 ZINC000618810690 349157874 /nfs/dbraw/zinc/15/78/74/349157874.db2.gz KXTCPWVKZFKCRO-ZDUSSCGKSA-N 1 1 265.360 3.359 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](Cc1ccc2cnccc2c1)C1CC1 ZINC000618810690 349157876 /nfs/dbraw/zinc/15/78/76/349157876.db2.gz KXTCPWVKZFKCRO-ZDUSSCGKSA-N 1 1 265.360 3.359 20 30 CGEDMO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H](C)CCC#N)n1 ZINC000618887903 349175619 /nfs/dbraw/zinc/17/56/19/349175619.db2.gz IUMVRJJUMCQPBD-CJNGLKHVSA-N 1 1 257.381 3.467 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@H](C2CC2)O1 ZINC000619283102 349227433 /nfs/dbraw/zinc/22/74/33/349227433.db2.gz QGPSCUGQKBSDKN-KBXCAEBGSA-N 1 1 298.430 3.487 20 30 CGEDMO CC[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1nccn1C ZINC000619755113 349281536 /nfs/dbraw/zinc/28/15/36/349281536.db2.gz UAILQQNMAOGFCQ-CQSZACIVSA-N 1 1 288.782 3.186 20 30 CGEDMO C=CCC(C)(C)c1noc([C@@H]2CCn3cc(C)[nH+]c3C2)n1 ZINC000624633644 350072288 /nfs/dbraw/zinc/07/22/88/350072288.db2.gz XWWBBRFGAMYGKE-GFCCVEGCSA-N 1 1 286.379 3.158 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)Cc1cncc(OC)n1 ZINC000625380300 350165901 /nfs/dbraw/zinc/16/59/01/350165901.db2.gz FJFOZFHGVJIJIT-UHFFFAOYSA-N 1 1 283.375 3.064 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1cncc(OC)n1 ZINC000625380300 350165902 /nfs/dbraw/zinc/16/59/02/350165902.db2.gz FJFOZFHGVJIJIT-UHFFFAOYSA-N 1 1 283.375 3.064 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000625700767 350198112 /nfs/dbraw/zinc/19/81/12/350198112.db2.gz LQCPBUAWQZAVEK-MRXNPFEDSA-N 1 1 286.419 3.448 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C)c(C)c2)C1 ZINC000625701228 350198605 /nfs/dbraw/zinc/19/86/05/350198605.db2.gz PHSDVMBNTIAYFE-OAHLLOKOSA-N 1 1 272.392 3.140 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CCc2nc3ccccc3n2C)C1 ZINC000625702966 350200128 /nfs/dbraw/zinc/20/01/28/350200128.db2.gz IZHDGTAEEVVQAX-AWEZNQCLSA-N 1 1 269.392 3.014 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625804345 350215747 /nfs/dbraw/zinc/21/57/47/350215747.db2.gz XGTIXJJUTNRAFB-KDOFPFPSSA-N 1 1 298.386 3.179 20 30 CGEDMO C=CC[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000271332902 191078545 /nfs/dbraw/zinc/07/85/45/191078545.db2.gz AYOFVJWNOUBLSZ-UHFFFAOYSA-N 1 1 299.330 3.400 20 30 CGEDMO C=CC[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000271332902 191078547 /nfs/dbraw/zinc/07/85/47/191078547.db2.gz AYOFVJWNOUBLSZ-UHFFFAOYSA-N 1 1 299.330 3.400 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000626007740 350246265 /nfs/dbraw/zinc/24/62/65/350246265.db2.gz SCOPQZOXKSYXLR-OAHLLOKOSA-N 1 1 299.336 3.391 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2c(C)nn(CCC)c2C)C1 ZINC000628405449 350528186 /nfs/dbraw/zinc/52/81/86/350528186.db2.gz MNHMBFUAAPHKOO-OAHLLOKOSA-N 1 1 261.413 3.308 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(OC)c(OC)c2OC)C1 ZINC000628405751 350529542 /nfs/dbraw/zinc/52/95/42/350529542.db2.gz TUSYIAWXICYDNV-CYBMUJFWSA-N 1 1 291.391 3.110 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2F)C1 ZINC000628406334 350529946 /nfs/dbraw/zinc/52/99/46/350529946.db2.gz HSVOKQCAHCGKIG-GFCCVEGCSA-N 1 1 279.355 3.241 20 30 CGEDMO C=C(C)COc1cccc(NC(=O)C[N@H+](C)C2CCC2)c1 ZINC000629957213 350790375 /nfs/dbraw/zinc/79/03/75/350790375.db2.gz QZOCWRMDVYLKAY-UHFFFAOYSA-N 1 1 288.391 3.064 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC000630851749 350899073 /nfs/dbraw/zinc/89/90/73/350899073.db2.gz CVXSYUBBUNXFFM-OWCLPIDISA-N 1 1 290.451 3.207 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC(C[N@H+](C)CCCC)CC2)C1 ZINC000631273295 351013586 /nfs/dbraw/zinc/01/35/86/351013586.db2.gz SJWQKBXYOWBDTL-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000633084066 351242060 /nfs/dbraw/zinc/24/20/60/351242060.db2.gz ZQVITVKOWMMAKN-HNNXBMFYSA-N 1 1 295.471 3.008 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000633096059 351242577 /nfs/dbraw/zinc/24/25/77/351242577.db2.gz AASYAVMHBFVFBF-DOTOQJQBSA-N 1 1 298.430 3.122 20 30 CGEDMO C=CCOc1ccccc1CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732514 351578502 /nfs/dbraw/zinc/57/85/02/351578502.db2.gz IFUQQFHSZNLXEM-INIZCTEOSA-N 1 1 288.435 3.119 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C)C1CC1 ZINC000271452611 191145800 /nfs/dbraw/zinc/14/58/00/191145800.db2.gz OLBCBHDEFZJQJO-UHFFFAOYSA-N 1 1 278.421 3.262 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1sc(C)c(C)c1C)C1CC1 ZINC000271452611 191145801 /nfs/dbraw/zinc/14/58/01/191145801.db2.gz OLBCBHDEFZJQJO-UHFFFAOYSA-N 1 1 278.421 3.262 20 30 CGEDMO N#Cc1ccc(F)cc1C[NH+]1CCC(OCC2CC2)CC1 ZINC000363917854 234007199 /nfs/dbraw/zinc/00/71/99/234007199.db2.gz BGNPESPXDIRCHL-UHFFFAOYSA-N 1 1 288.366 3.088 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H](CSC)C1 ZINC000292278969 198228665 /nfs/dbraw/zinc/22/86/65/198228665.db2.gz BPXTUULCKCCAIV-AWEZNQCLSA-N 1 1 290.432 3.142 20 30 CGEDMO CSC[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000292315954 198241143 /nfs/dbraw/zinc/24/11/43/198241143.db2.gz DZUKQJVOKFAIFA-ZDUSSCGKSA-N 1 1 278.396 3.272 20 30 CGEDMO CSC[C@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000157246850 188306227 /nfs/dbraw/zinc/30/62/27/188306227.db2.gz FAZYWRXRQPBYRS-OAHLLOKOSA-N 1 1 263.381 3.005 20 30 CGEDMO CSC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000292550997 198329953 /nfs/dbraw/zinc/32/99/53/198329953.db2.gz YOMHZJSZMNTYDE-OAHLLOKOSA-N 1 1 260.406 3.133 20 30 CGEDMO N#CCCC[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000157552566 188324019 /nfs/dbraw/zinc/32/40/19/188324019.db2.gz IHBLFFWJDRGWSO-CQSZACIVSA-N 1 1 274.339 3.024 20 30 CGEDMO COc1ccc(C[N@@H+](C)C(C)C)cc1OCCCC#N ZINC000158735772 188392057 /nfs/dbraw/zinc/39/20/57/188392057.db2.gz MWVAGPXIKVBCRI-UHFFFAOYSA-N 1 1 276.380 3.218 20 30 CGEDMO C#CC[C@@H]([NH2+]Cc1c(C)onc1CC)c1ccccc1 ZINC000271706380 191283950 /nfs/dbraw/zinc/28/39/50/191283950.db2.gz NORQOGFCNCLDLO-QGZVFWFLSA-N 1 1 268.360 3.400 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@H]2CSc3ccccc32)o1 ZINC000336369992 213222555 /nfs/dbraw/zinc/22/25/55/213222555.db2.gz HDNSZQICEWKMGR-ZDUSSCGKSA-N 1 1 256.330 3.088 20 30 CGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC(C)(C)C[C@H]1C ZINC000412018645 235104456 /nfs/dbraw/zinc/10/44/56/235104456.db2.gz CAMFHAFWNDYLQX-CHWSQXEVSA-N 1 1 285.391 3.006 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)s1 ZINC000245813381 283141737 /nfs/dbraw/zinc/14/17/37/283141737.db2.gz ZTISSZOEDKHDCO-ZIAGYGMSSA-N 1 1 278.446 3.480 20 30 CGEDMO N#Cc1ccc(F)cc1C[NH+]1CCC(c2ccccn2)CC1 ZINC000378264612 283151180 /nfs/dbraw/zinc/15/11/80/283151180.db2.gz SCYJNGNWOGLNBD-UHFFFAOYSA-N 1 1 295.361 3.472 20 30 CGEDMO CCC[N@@H+](CC)C[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000353482663 283179687 /nfs/dbraw/zinc/17/96/87/283179687.db2.gz GAVHBCCICZRECT-CABCVRRESA-N 1 1 273.424 3.329 20 30 CGEDMO CCCN(CC)C[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000353482663 283179689 /nfs/dbraw/zinc/17/96/89/283179689.db2.gz GAVHBCCICZRECT-CABCVRRESA-N 1 1 273.424 3.329 20 30 CGEDMO C[C@H]1CC[C@H](C)[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000088704502 138342571 /nfs/dbraw/zinc/34/25/71/138342571.db2.gz CROXSGSZRWQRJI-KBPBESRZSA-N 1 1 258.365 3.057 20 30 CGEDMO N#Cc1csc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)n1 ZINC000418144393 283247674 /nfs/dbraw/zinc/24/76/74/283247674.db2.gz KLDXZPLALBCEIY-HNNXBMFYSA-N 1 1 294.383 3.054 20 30 CGEDMO CS[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000336237204 213069570 /nfs/dbraw/zinc/06/95/70/213069570.db2.gz RXMUJWNUCGKGLD-LBPRGKRZSA-N 1 1 266.797 3.149 20 30 CGEDMO COCc1ccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)o1 ZINC000425365557 236238747 /nfs/dbraw/zinc/23/87/47/236238747.db2.gz LQLJJPWFZTXLAS-ZDUSSCGKSA-N 1 1 284.359 3.491 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)N(C)Cc1n[nH]c(C(C)(C)C)n1 ZINC000425538038 236258762 /nfs/dbraw/zinc/25/87/62/236258762.db2.gz REGONKICBVCIIU-GFCCVEGCSA-N 1 1 297.406 3.167 20 30 CGEDMO N#Cc1ccccc1OCC[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000437827791 237359554 /nfs/dbraw/zinc/35/95/54/237359554.db2.gz IEQGDBRNMZRSHO-SFHVURJKSA-N 1 1 292.382 3.254 20 30 CGEDMO CC[C@](C)([NH2+]Cc1ccc(C#N)s1)c1nccs1 ZINC000176973761 189018313 /nfs/dbraw/zinc/01/83/13/189018313.db2.gz CIMJFKUWNUZWTP-ZDUSSCGKSA-N 1 1 277.418 3.491 20 30 CGEDMO COCc1cccc(C[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC000179187498 189175828 /nfs/dbraw/zinc/17/58/28/189175828.db2.gz AEAPHZVFXBNPRJ-UHFFFAOYSA-N 1 1 280.371 3.337 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@H]2CCCOc3c(F)cccc32)o1 ZINC000180447202 189256051 /nfs/dbraw/zinc/25/60/51/189256051.db2.gz ZTUYCQZPUWADJE-HNNXBMFYSA-N 1 1 286.306 3.294 20 30 CGEDMO C[C@@H](C[N@@H+](C)Cc1ccc(C#N)s1)c1nccs1 ZINC000183263016 189352439 /nfs/dbraw/zinc/35/24/39/189352439.db2.gz ZDJBDTAIGHALRE-JTQLQIEISA-N 1 1 277.418 3.312 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+]1CCc2ccccc2C1 ZINC000120482862 370771160 /nfs/dbraw/zinc/77/11/60/370771160.db2.gz BBHDIPCMQLWAEV-UHFFFAOYSA-N 1 1 278.355 3.125 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCc2ccccc2C1 ZINC000120482862 370771163 /nfs/dbraw/zinc/77/11/63/370771163.db2.gz BBHDIPCMQLWAEV-UHFFFAOYSA-N 1 1 278.355 3.125 20 30 CGEDMO CO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)C12CCC2 ZINC000451856678 240372655 /nfs/dbraw/zinc/37/26/55/240372655.db2.gz SZOKHPONIWSSTC-JKSUJKDBSA-N 1 1 288.366 3.087 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000121210200 370838780 /nfs/dbraw/zinc/83/87/80/370838780.db2.gz BVESDDUGBNVLOV-GUYCJALGSA-N 1 1 282.343 3.286 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000121210200 370838786 /nfs/dbraw/zinc/83/87/86/370838786.db2.gz BVESDDUGBNVLOV-GUYCJALGSA-N 1 1 282.343 3.286 20 30 CGEDMO C=CCC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@H](C)CC ZINC000121223446 370841074 /nfs/dbraw/zinc/84/10/74/370841074.db2.gz OJXIXCYMOPKCHF-CYBMUJFWSA-N 1 1 285.391 3.100 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000121096629 370829764 /nfs/dbraw/zinc/82/97/64/370829764.db2.gz YRGVABAPPFMCRE-CYBMUJFWSA-N 1 1 285.334 3.047 20 30 CGEDMO C=CC[N@@H+](C)CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000121429606 370859441 /nfs/dbraw/zinc/85/94/41/370859441.db2.gz XLHLBCLZLPBSSF-UHFFFAOYSA-N 1 1 294.398 3.334 20 30 CGEDMO C=CC[N@H+](C)CC(=O)Nc1ccccc1Cc1ccccc1 ZINC000121429606 370859446 /nfs/dbraw/zinc/85/94/46/370859446.db2.gz XLHLBCLZLPBSSF-UHFFFAOYSA-N 1 1 294.398 3.334 20 30 CGEDMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000459754525 242213570 /nfs/dbraw/zinc/21/35/70/242213570.db2.gz OFUIDKMSFDSUJS-ZDUSSCGKSA-N 1 1 285.366 3.099 20 30 CGEDMO CCC1(c2ccccc2)C[NH+](Cc2ccc(C#N)o2)C1 ZINC000459757203 242215219 /nfs/dbraw/zinc/21/52/19/242215219.db2.gz OMOAFWKPRJXROY-UHFFFAOYSA-N 1 1 266.344 3.315 20 30 CGEDMO C=CC[N@@H+](C)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1Cl ZINC000121487178 370865052 /nfs/dbraw/zinc/86/50/52/370865052.db2.gz ZLPQWVIUJCZGJP-LBPRGKRZSA-N 1 1 280.799 3.402 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1Cl ZINC000121487178 370865057 /nfs/dbraw/zinc/86/50/57/370865057.db2.gz ZLPQWVIUJCZGJP-LBPRGKRZSA-N 1 1 280.799 3.402 20 30 CGEDMO CC[N@@H+](Cc1cccc(OC(F)F)c1)C[C@H](C)C#N ZINC000124855019 370928677 /nfs/dbraw/zinc/92/86/77/370928677.db2.gz UDOAWYOIEJASCY-LLVKDONJSA-N 1 1 268.307 3.270 20 30 CGEDMO CC[N@H+](Cc1cccc(OC(F)F)c1)C[C@H](C)C#N ZINC000124855019 370928685 /nfs/dbraw/zinc/92/86/85/370928685.db2.gz UDOAWYOIEJASCY-LLVKDONJSA-N 1 1 268.307 3.270 20 30 CGEDMO C=CCNc1[nH+]cnc2c1c(C)c(C)n2Cc1ccco1 ZINC000123784751 370915512 /nfs/dbraw/zinc/91/55/12/370915512.db2.gz PDWANQGBLLJXGI-UHFFFAOYSA-N 1 1 282.347 3.287 20 30 CGEDMO C[C@H]1SCC[N@@H+](CC#Cc2ccc(F)cc2)[C@@H]1C ZINC000125241914 370934502 /nfs/dbraw/zinc/93/45/02/370934502.db2.gz DSHBABUPGBDZBT-CHWSQXEVSA-N 1 1 263.381 3.003 20 30 CGEDMO CC(C)(C)[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000330620658 203048653 /nfs/dbraw/zinc/04/86/53/203048653.db2.gz KQYWRQUKAVYKPS-INIZCTEOSA-N 1 1 299.418 3.397 20 30 CGEDMO CC[C@@H]1CCCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000034674497 368976879 /nfs/dbraw/zinc/97/68/79/368976879.db2.gz GIOKVRKOTCQEBB-OAHLLOKOSA-N 1 1 258.365 3.202 20 30 CGEDMO C[N@@H+](CCCOc1cccc(C#N)c1)C1CCCC1 ZINC000034674521 368978091 /nfs/dbraw/zinc/97/80/91/368978091.db2.gz MIVRQNHAGRHLSR-UHFFFAOYSA-N 1 1 258.365 3.202 20 30 CGEDMO C[C@H](C1CC1)[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000036785341 369028961 /nfs/dbraw/zinc/02/89/61/369028961.db2.gz ZOQKQUXKELUVBM-CYBMUJFWSA-N 1 1 258.365 3.057 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2Br)C[C@H]1C ZINC000492777662 244024237 /nfs/dbraw/zinc/02/42/37/244024237.db2.gz YHHPELDIZFLTEQ-PHIMTYICSA-N 1 1 293.208 3.409 20 30 CGEDMO C=CCC[N@@H+](CC(=O)OCC)[C@H](C)c1ccccc1 ZINC000038314202 369146806 /nfs/dbraw/zinc/14/68/06/369146806.db2.gz OTALHMXQJQFWHP-CQSZACIVSA-N 1 1 261.365 3.189 20 30 CGEDMO C=CCC[N@H+](CC(=O)OCC)[C@H](C)c1ccccc1 ZINC000038314202 369146814 /nfs/dbraw/zinc/14/68/14/369146814.db2.gz OTALHMXQJQFWHP-CQSZACIVSA-N 1 1 261.365 3.189 20 30 CGEDMO CC[C@@H]1CC[C@H](C)[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000330670388 203099196 /nfs/dbraw/zinc/09/91/96/203099196.db2.gz ZFSZKKHZQRSTTD-WCQYABFASA-N 1 1 291.420 3.211 20 30 CGEDMO C[N@H+](Cc1ccc(F)cc1)Cc1ccccc1C#N ZINC000042267807 369209680 /nfs/dbraw/zinc/20/96/80/369209680.db2.gz HAJZYKPWRMHYFX-UHFFFAOYSA-N 1 1 254.308 3.329 20 30 CGEDMO C[N@@H+](Cc1ccc(F)cc1)Cc1ccccc1C#N ZINC000042267807 369209683 /nfs/dbraw/zinc/20/96/83/369209683.db2.gz HAJZYKPWRMHYFX-UHFFFAOYSA-N 1 1 254.308 3.329 20 30 CGEDMO CC[N@@H+](CCC(=O)Nc1sccc1C#N)C1CCCC1 ZINC000052908616 369474066 /nfs/dbraw/zinc/47/40/66/369474066.db2.gz ZEGHBWIKVCRPHM-UHFFFAOYSA-N 1 1 291.420 3.213 20 30 CGEDMO C=CCC[N@H+](C)Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000276198501 193240061 /nfs/dbraw/zinc/24/00/61/193240061.db2.gz YGQCWFVYPSFIHJ-UHFFFAOYSA-N 1 1 255.365 3.393 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000129185231 370977909 /nfs/dbraw/zinc/97/79/09/370977909.db2.gz WXJNSZUPDJHYSO-QGZVFWFLSA-N 1 1 277.383 3.365 20 30 CGEDMO CC1(C)CCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000063067189 369638077 /nfs/dbraw/zinc/63/80/77/369638077.db2.gz MVGMPNWMEVKRLW-UHFFFAOYSA-N 1 1 258.365 3.202 20 30 CGEDMO C=CCC[N@H+](C)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000276438806 193330268 /nfs/dbraw/zinc/33/02/68/193330268.db2.gz OHLGWXXQYVPVCC-UHFFFAOYSA-N 1 1 298.386 3.218 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](O)c1ccc(F)cc1Cl ZINC000276486349 193351490 /nfs/dbraw/zinc/35/14/90/193351490.db2.gz UEWYGZVSEANMJK-ZDUSSCGKSA-N 1 1 257.736 3.020 20 30 CGEDMO COC(=O)c1cccc(C[N@H+](CCC#N)CCC(C)C)c1 ZINC000072692419 369835048 /nfs/dbraw/zinc/83/50/48/369835048.db2.gz KJRPWMIBLGVJSC-UHFFFAOYSA-N 1 1 288.391 3.235 20 30 CGEDMO COC(=O)c1cccc(C[N@@H+](CCC#N)CCC(C)C)c1 ZINC000072692419 369835054 /nfs/dbraw/zinc/83/50/54/369835054.db2.gz KJRPWMIBLGVJSC-UHFFFAOYSA-N 1 1 288.391 3.235 20 30 CGEDMO C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)CC1CCCC1 ZINC000075675131 369915930 /nfs/dbraw/zinc/91/59/30/369915930.db2.gz PRSOWWJMFFZRGK-UHFFFAOYSA-N 1 1 296.374 3.230 20 30 CGEDMO CC[C@@]1(C)CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000075998988 369925032 /nfs/dbraw/zinc/92/50/32/369925032.db2.gz DRABIMRMOFAIKK-KSSFIOAISA-N 1 1 299.418 3.397 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)N(C)Cc1ccccc1C ZINC000076734403 369941056 /nfs/dbraw/zinc/94/10/56/369941056.db2.gz RJEQQAPALCACNX-MRXNPFEDSA-N 1 1 288.435 3.240 20 30 CGEDMO CN(CC[N@@H+](C)Cc1cc(C#N)cs1)c1ccccc1 ZINC000093273871 370114152 /nfs/dbraw/zinc/11/41/52/370114152.db2.gz ZATSHYJQBRMUTI-UHFFFAOYSA-N 1 1 285.416 3.188 20 30 CGEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc(C#N)cs2)C12CCC2 ZINC000092041112 370090448 /nfs/dbraw/zinc/09/04/48/370090448.db2.gz QZIXQRMOUJSHPW-GJZGRUSLSA-N 1 1 290.432 3.399 20 30 CGEDMO C=CCOc1ccc(C[N@H+](CC)CCOCC)cc1 ZINC000092537551 370098056 /nfs/dbraw/zinc/09/80/56/370098056.db2.gz BHTPELXXLMUKMP-UHFFFAOYSA-N 1 1 263.381 3.110 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)Cc1cccc2c[nH]nc21 ZINC000093100841 370109639 /nfs/dbraw/zinc/10/96/39/370109639.db2.gz QVYXOJDDAMMARW-UHFFFAOYSA-N 1 1 270.380 3.325 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)Cc1cccc2c[nH]nc21 ZINC000093100841 370109643 /nfs/dbraw/zinc/10/96/43/370109643.db2.gz QVYXOJDDAMMARW-UHFFFAOYSA-N 1 1 270.380 3.325 20 30 CGEDMO COc1ccc(C[N@H+](CCC#N)CC(C)(C)C)cc1 ZINC000093101233 370109775 /nfs/dbraw/zinc/10/97/75/370109775.db2.gz AVZMZEQDWLIEFE-UHFFFAOYSA-N 1 1 260.381 3.457 20 30 CGEDMO COc1ccc(C[N@@H+](CCC#N)CC(C)(C)C)cc1 ZINC000093101233 370109777 /nfs/dbraw/zinc/10/97/77/370109777.db2.gz AVZMZEQDWLIEFE-UHFFFAOYSA-N 1 1 260.381 3.457 20 30 CGEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(C#N)cs2)C1(C)C ZINC000093605411 370146856 /nfs/dbraw/zinc/14/68/56/370146856.db2.gz OHRFGJFCWDDKJE-UONOGXRCSA-N 1 1 278.421 3.255 20 30 CGEDMO N#CCCCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000102396687 370302861 /nfs/dbraw/zinc/30/28/61/370302861.db2.gz RIFYQDJLXXUEIT-OAHLLOKOSA-N 1 1 285.391 3.031 20 30 CGEDMO C[C@@H](O)C[N@@H+](Cc1ccc(F)cc1C#N)C1CCCCC1 ZINC000104684837 370347791 /nfs/dbraw/zinc/34/77/91/370347791.db2.gz PGHAQBPHRHYRNN-CYBMUJFWSA-N 1 1 290.382 3.213 20 30 CGEDMO C=CC[C@@H](C)NC(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000116853709 370571226 /nfs/dbraw/zinc/57/12/26/370571226.db2.gz KCXPRUGBTBWWDR-CQSZACIVSA-N 1 1 286.419 3.365 20 30 CGEDMO N#CCCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130051253 371009989 /nfs/dbraw/zinc/00/99/89/371009989.db2.gz ZZXIUYYUFLMSMJ-UHFFFAOYSA-N 1 1 273.336 3.253 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000130476061 371036769 /nfs/dbraw/zinc/03/67/69/371036769.db2.gz AJXOCIWOLAWAJA-CYBMUJFWSA-N 1 1 298.308 3.341 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000130476061 371036773 /nfs/dbraw/zinc/03/67/73/371036773.db2.gz AJXOCIWOLAWAJA-CYBMUJFWSA-N 1 1 298.308 3.341 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@@H](C)c2cccc(O)c2)cc1C#N ZINC000135188519 371399750 /nfs/dbraw/zinc/39/97/50/371399750.db2.gz NGVPXGXJNCXIFA-ZDUSSCGKSA-N 1 1 296.370 3.465 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2ccc(Br)s2)o1 ZINC000135481433 371430865 /nfs/dbraw/zinc/43/08/65/371430865.db2.gz OYMYSFNAJZVVLC-UHFFFAOYSA-N 1 1 297.177 3.265 20 30 CGEDMO C#CCCC[N@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000287810252 371707637 /nfs/dbraw/zinc/70/76/37/371707637.db2.gz PADYJUINFDTTKZ-UHFFFAOYSA-N 1 1 275.367 3.220 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C1CCC1 ZINC000153828803 371791543 /nfs/dbraw/zinc/79/15/43/371791543.db2.gz BQJNYKBDHPPCBR-UHFFFAOYSA-N 1 1 283.293 3.421 20 30 CGEDMO CCC(CC)[N@@H+](CC)CC(=O)Nc1ccc(C#N)cc1 ZINC000344044716 217025010 /nfs/dbraw/zinc/02/50/10/217025010.db2.gz XJXCLWRUTGRYKW-UHFFFAOYSA-N 1 1 273.380 3.007 20 30 CGEDMO CC1(C)C[N@H+](Cc2cc(C#N)ccc2F)[C@H]1[C@@H]1CCCO1 ZINC000289877171 371843988 /nfs/dbraw/zinc/84/39/88/371843988.db2.gz RPYZRTMYZPIMSV-HOTGVXAUSA-N 1 1 288.366 3.087 20 30 CGEDMO CC1(C)C[N@@H+](Cc2cc(C#N)ccc2F)[C@H]1[C@@H]1CCCO1 ZINC000289877171 371843994 /nfs/dbraw/zinc/84/39/94/371843994.db2.gz RPYZRTMYZPIMSV-HOTGVXAUSA-N 1 1 288.366 3.087 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CCC1(F)F ZINC000289980769 371868843 /nfs/dbraw/zinc/86/88/43/371868843.db2.gz XQGQACQFKIAUEA-NSHDSACASA-N 1 1 250.292 3.035 20 30 CGEDMO C[C@H](NCC[N@H+]1[C@H](C)CCC[C@@H]1C)c1cccc(C#N)c1 ZINC000344074258 217040490 /nfs/dbraw/zinc/04/04/90/217040490.db2.gz MNEJNXGGJFKOHX-XHSDSOJGSA-N 1 1 285.435 3.472 20 30 CGEDMO C[C@H](NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)c1cccc(C#N)c1 ZINC000344074258 217040492 /nfs/dbraw/zinc/04/04/92/217040492.db2.gz MNEJNXGGJFKOHX-XHSDSOJGSA-N 1 1 285.435 3.472 20 30 CGEDMO CC#CCC[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000155073402 371902890 /nfs/dbraw/zinc/90/28/90/371902890.db2.gz FRZXJSWPYLTUFN-CQSZACIVSA-N 1 1 263.406 3.143 20 30 CGEDMO CC#CCC[N@@H+]1CCC[C@@H]1c1cc(OC)ccc1OC ZINC000155072492 371903404 /nfs/dbraw/zinc/90/34/04/371903404.db2.gz NJCUETOVGYSNCN-MRXNPFEDSA-N 1 1 273.376 3.254 20 30 CGEDMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000290195237 371928783 /nfs/dbraw/zinc/92/87/83/371928783.db2.gz PAMQPIJBHHQKGD-SFHVURJKSA-N 1 1 297.402 3.488 20 30 CGEDMO CC#CCC[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000156531003 371983084 /nfs/dbraw/zinc/98/30/84/371983084.db2.gz SFWMMYXOOMOQDB-KRWDZBQOSA-N 1 1 299.418 3.076 20 30 CGEDMO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000156581530 371987186 /nfs/dbraw/zinc/98/71/86/371987186.db2.gz WFWHMCWQMJEZOZ-CQSZACIVSA-N 1 1 294.439 3.370 20 30 CGEDMO CC#CCC[N@H+]1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000155784422 371946060 /nfs/dbraw/zinc/94/60/60/371946060.db2.gz IFNJZAJHJPXNCS-BBRMVZONSA-N 1 1 261.340 3.001 20 30 CGEDMO CC#CCC[N@@H+]1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000155784422 371946069 /nfs/dbraw/zinc/94/60/69/371946069.db2.gz IFNJZAJHJPXNCS-BBRMVZONSA-N 1 1 261.340 3.001 20 30 CGEDMO CC[C@@]1(C)CC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000344220602 217104403 /nfs/dbraw/zinc/10/44/03/217104403.db2.gz OJBUOAYVGBCQPW-GUYCJALGSA-N 1 1 285.391 3.007 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+](CCO)Cc1ccccc1 ZINC000158313350 372064232 /nfs/dbraw/zinc/06/42/32/372064232.db2.gz ATJOXMXGRCQADH-UHFFFAOYSA-N 1 1 297.398 3.246 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000424611951 372087207 /nfs/dbraw/zinc/08/72/07/372087207.db2.gz SHSCPFFPROEZDD-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000424755849 372096989 /nfs/dbraw/zinc/09/69/89/372096989.db2.gz FSHSZSUEFKOMAS-CABCVRRESA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000424749750 372097017 /nfs/dbraw/zinc/09/70/17/372097017.db2.gz FGPDCMZSKOQWRC-HNNXBMFYSA-N 1 1 288.435 3.225 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(N(C)CCC#N)cc1 ZINC000159005187 372099354 /nfs/dbraw/zinc/09/93/54/372099354.db2.gz ATQNFYPLKUBSIQ-UHFFFAOYSA-N 1 1 271.408 3.434 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(Cl)cc1)C[C@@H]1CCCCO1 ZINC000426414007 372157218 /nfs/dbraw/zinc/15/72/18/372157218.db2.gz AFAYSLPBPUOBAM-INIZCTEOSA-N 1 1 277.795 3.192 20 30 CGEDMO C=C[C@@H](CO)[NH2+][C@H](C)c1csc(-c2ccccc2F)n1 ZINC000291304437 372157411 /nfs/dbraw/zinc/15/74/11/372157411.db2.gz SQSOWJSTQNNQOP-MNOVXSKESA-N 1 1 292.379 3.147 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc2c(c1)ncn2C ZINC000426570672 372165278 /nfs/dbraw/zinc/16/52/78/372165278.db2.gz NTVATCZJHYVOJX-CQSZACIVSA-N 1 1 255.365 3.114 20 30 CGEDMO Cc1nc(N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)ccc1C#N ZINC000291900758 372177175 /nfs/dbraw/zinc/17/71/75/372177175.db2.gz KDGMIFDPVNEHHQ-WMZOPIPTSA-N 1 1 292.386 3.119 20 30 CGEDMO CCC[N@@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCCO1 ZINC000160212335 372226600 /nfs/dbraw/zinc/22/66/00/372226600.db2.gz KVNKFUNFJBCQJH-KRWDZBQOSA-N 1 1 290.382 3.478 20 30 CGEDMO CCC[N@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCCO1 ZINC000160212335 372226608 /nfs/dbraw/zinc/22/66/08/372226608.db2.gz KVNKFUNFJBCQJH-KRWDZBQOSA-N 1 1 290.382 3.478 20 30 CGEDMO CCCO[C@@H]1CCC[N@H+](Cc2cc(F)ccc2C#N)CC1 ZINC000160277282 372233485 /nfs/dbraw/zinc/23/34/85/372233485.db2.gz LRHHDEMWQAQHOG-QGZVFWFLSA-N 1 1 290.382 3.478 20 30 CGEDMO CCCO[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2C#N)CC1 ZINC000160277282 372233488 /nfs/dbraw/zinc/23/34/88/372233488.db2.gz LRHHDEMWQAQHOG-QGZVFWFLSA-N 1 1 290.382 3.478 20 30 CGEDMO C=CC[N@H+](C)C[C@@H](C)Cc1ccc(OC)c(F)c1 ZINC000428389176 372186567 /nfs/dbraw/zinc/18/65/67/372186567.db2.gz KZEYZIKAUCHFLQ-LBPRGKRZSA-N 1 1 251.345 3.131 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292926771 372250718 /nfs/dbraw/zinc/25/07/18/372250718.db2.gz IQZFEWCVGDUSDO-YJBOKZPZSA-N 1 1 283.419 3.037 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000292926771 372250723 /nfs/dbraw/zinc/25/07/23/372250723.db2.gz IQZFEWCVGDUSDO-YJBOKZPZSA-N 1 1 283.419 3.037 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000292926771 372250730 /nfs/dbraw/zinc/25/07/30/372250730.db2.gz IQZFEWCVGDUSDO-YJBOKZPZSA-N 1 1 283.419 3.037 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000429023134 372305757 /nfs/dbraw/zinc/30/57/57/372305757.db2.gz VAEUKDLGOMIOBL-WCXIOVBPSA-N 1 1 264.457 3.393 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)Cc2ccccc2O1 ZINC000429110725 372314575 /nfs/dbraw/zinc/31/45/75/372314575.db2.gz AZNXJUYRAGQAOI-AWEZNQCLSA-N 1 1 278.355 3.341 20 30 CGEDMO CCc1nocc1C[N@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000293278702 372342818 /nfs/dbraw/zinc/34/28/18/372342818.db2.gz CJYRIBJLICHMGV-GFCCVEGCSA-N 1 1 269.348 3.302 20 30 CGEDMO CCc1nocc1C[N@@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000293278702 372342823 /nfs/dbraw/zinc/34/28/23/372342823.db2.gz CJYRIBJLICHMGV-GFCCVEGCSA-N 1 1 269.348 3.302 20 30 CGEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)C1(C)C ZINC000344370238 217171862 /nfs/dbraw/zinc/17/18/62/217171862.db2.gz QSCHYWHWYCFSJV-JKSUJKDBSA-N 1 1 290.382 3.333 20 30 CGEDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)C1(C)C ZINC000344374205 217174879 /nfs/dbraw/zinc/17/48/79/217174879.db2.gz KWJQCFBXSMYVKM-WBVHZDCISA-N 1 1 290.382 3.333 20 30 CGEDMO C=C(Cl)C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000163371752 372465802 /nfs/dbraw/zinc/46/58/02/372465802.db2.gz CHQQSCDIYDLYKU-GFCCVEGCSA-N 1 1 254.717 3.388 20 30 CGEDMO C=CCOCC[N@H+](C)[C@H]1CCCc2nc(CC)sc21 ZINC000293925928 372527006 /nfs/dbraw/zinc/52/70/06/372527006.db2.gz YHRZVLZQELQNFT-ZDUSSCGKSA-N 1 1 280.437 3.217 20 30 CGEDMO Cc1ccnc(C[NH2+][C@@H](CCCC#N)c2ccccc2)n1 ZINC000433024665 372577829 /nfs/dbraw/zinc/57/78/29/372577829.db2.gz YKNIESCJTMEYPU-INIZCTEOSA-N 1 1 280.375 3.310 20 30 CGEDMO C[N@H+]1CCC[C@H]2CN(c3ccc(Cl)cc3C#N)CC[C@@H]21 ZINC000166633471 372578643 /nfs/dbraw/zinc/57/86/43/372578643.db2.gz QTESKGPHYDLION-WFASDCNBSA-N 1 1 289.810 3.132 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433045364 372580683 /nfs/dbraw/zinc/58/06/83/372580683.db2.gz DXSFARMGJLXYBZ-GOSISDBHSA-N 1 1 298.430 3.067 20 30 CGEDMO CSCc1cnc(C[NH2+]Cc2cccc(C#N)c2)s1 ZINC000294304881 372644701 /nfs/dbraw/zinc/64/47/01/372644701.db2.gz XBULIDYIORSSHK-UHFFFAOYSA-N 1 1 289.429 3.168 20 30 CGEDMO C=CC[N@H+](CCCCO)Cc1ccc(Cl)s1 ZINC000170870856 372673786 /nfs/dbraw/zinc/67/37/86/372673786.db2.gz AZPSZQSNRHYEME-UHFFFAOYSA-N 1 1 259.802 3.162 20 30 CGEDMO C=CC[N@@H+](Cc1cnn(CC(F)F)c1)Cc1ccccc1 ZINC000295448595 372786528 /nfs/dbraw/zinc/78/65/28/372786528.db2.gz VAJXAGJWSSXWPE-UHFFFAOYSA-N 1 1 291.345 3.336 20 30 CGEDMO C=CC[N@H+](Cc1cnn(CC(F)F)c1)Cc1ccccc1 ZINC000295448595 372786534 /nfs/dbraw/zinc/78/65/34/372786534.db2.gz VAJXAGJWSSXWPE-UHFFFAOYSA-N 1 1 291.345 3.336 20 30 CGEDMO C=CC[C@@H](C)NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437761573 372856924 /nfs/dbraw/zinc/85/69/24/372856924.db2.gz SMEFHWVHPBOHOS-ZBFHGGJFSA-N 1 1 293.455 3.047 20 30 CGEDMO COc1cc(C#N)ccc1Cn1c[nH+]c2c1C[C@@H](C)[C@H](C)C2 ZINC000295945165 372968636 /nfs/dbraw/zinc/96/86/36/372968636.db2.gz LIWZQKYSPALMQZ-CHWSQXEVSA-N 1 1 295.386 3.182 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](c3ccccc3)C[C@H]2C)C1=O ZINC000439318379 372976309 /nfs/dbraw/zinc/97/63/09/372976309.db2.gz QNNBMHAGLPLZDT-NJAFHUGGSA-N 1 1 298.430 3.041 20 30 CGEDMO CSCCC[N@@H+](C)CC#Cc1ccccc1Cl ZINC000439469835 372978302 /nfs/dbraw/zinc/97/83/02/372978302.db2.gz NWAOVQKGDNWFOI-UHFFFAOYSA-N 1 1 267.825 3.376 20 30 CGEDMO Cc1cccc(C[N@H+](C)CC#Cc2ccc(F)cc2)n1 ZINC000440663965 372991003 /nfs/dbraw/zinc/99/10/03/372991003.db2.gz WYWWWOWGZSEMEJ-UHFFFAOYSA-N 1 1 268.335 3.013 20 30 CGEDMO Cc1cccc(C[N@@H+](C)CC#Cc2ccc(F)cc2)n1 ZINC000440663965 372991016 /nfs/dbraw/zinc/99/10/16/372991016.db2.gz WYWWWOWGZSEMEJ-UHFFFAOYSA-N 1 1 268.335 3.013 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000441482177 373020511 /nfs/dbraw/zinc/02/05/11/373020511.db2.gz BZDSPIMHOTZNFP-BZUAXINKSA-N 1 1 278.440 3.064 20 30 CGEDMO COc1cc(C[N@H+]2CC[C@@H](C)C[C@@H](C)C2)ccc1C#N ZINC000442882584 373117281 /nfs/dbraw/zinc/11/72/81/373117281.db2.gz DXIDJFCUPXMBJL-ZIAGYGMSSA-N 1 1 272.392 3.435 20 30 CGEDMO C[C@H](c1cccc(N[C@H]2CC[C@H](C#N)C2)c1)[NH+]1CCOCC1 ZINC000442863228 373109557 /nfs/dbraw/zinc/10/95/57/373109557.db2.gz WYWGIXCNAXKINH-VKJFTORMSA-N 1 1 299.418 3.184 20 30 CGEDMO CC[NH+](CC)[C@H](CN[C@@H]1CC[C@@H](C#N)C1)Cc1ccccc1 ZINC000442716604 373070830 /nfs/dbraw/zinc/07/08/30/373070830.db2.gz OKLHRXINVALGDX-QRVBRYPASA-N 1 1 299.462 3.221 20 30 CGEDMO C=CCCC[N@H+](C)CCC(=O)Nc1ccccc1C ZINC000173483791 373146667 /nfs/dbraw/zinc/14/66/67/373146667.db2.gz KCTNYCQOKGGMOA-UHFFFAOYSA-N 1 1 260.381 3.222 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+](C)[C@H]1CCCC[C@H]1CC ZINC000444663298 373224349 /nfs/dbraw/zinc/22/43/49/373224349.db2.gz KLBKCPZHVZWPMK-CVEARBPZSA-N 1 1 278.440 3.088 20 30 CGEDMO CCc1ccc([C@@H](CNCc2ccc(C#N)o2)[NH+](C)C)cc1 ZINC000174238042 373271531 /nfs/dbraw/zinc/27/15/31/373271531.db2.gz WOWJVUKDASAQIG-GOSISDBHSA-N 1 1 297.402 3.106 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2nnc(C)n2C2CC2)CCCC1(C)C ZINC000444779735 373272166 /nfs/dbraw/zinc/27/21/66/373272166.db2.gz LHYPRKUSIIYTGH-OAHLLOKOSA-N 1 1 288.439 3.488 20 30 CGEDMO CCC[N@@H+](CC(C)C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000297749445 373279612 /nfs/dbraw/zinc/27/96/12/373279612.db2.gz CYJJRXTYHHRMBH-AWEZNQCLSA-N 1 1 287.407 3.253 20 30 CGEDMO CC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@H]1CCCC[C@H]1C ZINC000444673150 373229536 /nfs/dbraw/zinc/22/95/36/373229536.db2.gz IBLZWZZBBBDZDX-PBHICJAKSA-N 1 1 299.418 3.397 20 30 CGEDMO CCC1(CC)C[N@@H+](CCCCC(C)(C)C#N)CC[S@@]1=O ZINC000444688119 373237213 /nfs/dbraw/zinc/23/72/13/373237213.db2.gz IKRSRJPNZXAUSV-FQEVSTJZSA-N 1 1 298.496 3.330 20 30 CGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC2(CCCC2)C1 ZINC000174272833 373281383 /nfs/dbraw/zinc/28/13/83/373281383.db2.gz HLGSZFUPJIAOAH-CQSZACIVSA-N 1 1 297.402 3.151 20 30 CGEDMO CC(C)Oc1ccccc1C[NH2+]Cc1ccc(C#N)o1 ZINC000174295223 373285907 /nfs/dbraw/zinc/28/59/07/373285907.db2.gz CAPHMNZHDSJDII-UHFFFAOYSA-N 1 1 270.332 3.228 20 30 CGEDMO C=CC[C@@H]1[N@H+](Cc2ccnc(N)c2)CCCC1(C)C ZINC000298589704 373361208 /nfs/dbraw/zinc/36/12/08/373361208.db2.gz RPUQYNLBVNMRME-AWEZNQCLSA-N 1 1 259.397 3.231 20 30 CGEDMO C=CC[C@H]1[N@H+](Cc2cc(C(N)=O)cs2)CCCC1(C)C ZINC000446834513 373369890 /nfs/dbraw/zinc/36/98/90/373369890.db2.gz KOFLKILLAKGVLF-CQSZACIVSA-N 1 1 292.448 3.414 20 30 CGEDMO C#CC[N@H+](Cc1cccnc1)[C@H]1CCc2ccccc21 ZINC000175120094 373412248 /nfs/dbraw/zinc/41/22/48/373412248.db2.gz KYEMRMCQPPGYIH-SFHVURJKSA-N 1 1 262.356 3.204 20 30 CGEDMO C#CC[N@@H+](Cc1cccnc1)[C@H]1CCc2ccccc21 ZINC000175120094 373412255 /nfs/dbraw/zinc/41/22/55/373412255.db2.gz KYEMRMCQPPGYIH-SFHVURJKSA-N 1 1 262.356 3.204 20 30 CGEDMO CCC[N@@H+]1CC[C@@H](CN[C@H](CC)c2ccc(C#N)cc2)C1 ZINC000447531267 373445158 /nfs/dbraw/zinc/44/51/58/373445158.db2.gz QNUSASIMSBUDSK-FUHWJXTLSA-N 1 1 285.435 3.331 20 30 CGEDMO CCC[N@H+]1CC[C@@H](CN[C@H](CC)c2ccc(C#N)cc2)C1 ZINC000447531267 373445170 /nfs/dbraw/zinc/44/51/70/373445170.db2.gz QNUSASIMSBUDSK-FUHWJXTLSA-N 1 1 285.435 3.331 20 30 CGEDMO CCC[N@H+](CC)CCN[C@H](CC)c1ccc(C#N)cc1 ZINC000447564126 373452034 /nfs/dbraw/zinc/45/20/34/373452034.db2.gz VCLRLWNNHYZSBM-QGZVFWFLSA-N 1 1 273.424 3.331 20 30 CGEDMO CCC[N@@H+](CC)CCN[C@H](CC)c1ccc(C#N)cc1 ZINC000447564126 373452041 /nfs/dbraw/zinc/45/20/41/373452041.db2.gz VCLRLWNNHYZSBM-QGZVFWFLSA-N 1 1 273.424 3.331 20 30 CGEDMO C=CCCCNC(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000447956745 373529601 /nfs/dbraw/zinc/52/96/01/373529601.db2.gz WJBLSMUDCQDAMV-HNNXBMFYSA-N 1 1 295.471 3.152 20 30 CGEDMO CC[N@@H+](Cc1ccc2c(c1)OCCCCO2)C[C@H](C)C#N ZINC000449013437 373653180 /nfs/dbraw/zinc/65/31/80/373653180.db2.gz CUOFRINGUPOGGI-CQSZACIVSA-N 1 1 288.391 3.220 20 30 CGEDMO CC[N@H+](Cc1ccc2c(c1)OCCCCO2)C[C@H](C)C#N ZINC000449013437 373653193 /nfs/dbraw/zinc/65/31/93/373653193.db2.gz CUOFRINGUPOGGI-CQSZACIVSA-N 1 1 288.391 3.220 20 30 CGEDMO CC1CCN(CCC[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000449060670 373658920 /nfs/dbraw/zinc/65/89/20/373658920.db2.gz GLSLQLGANCTNBP-UHFFFAOYSA-N 1 1 277.456 3.170 20 30 CGEDMO C=CC[N@H+](Cc1cnn(-c2ccc(OC)cc2)c1)C1CC1 ZINC000449240734 373675298 /nfs/dbraw/zinc/67/52/98/373675298.db2.gz ZYDDMZBWEGPTBY-UHFFFAOYSA-N 1 1 283.375 3.031 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@H](SC)C1 ZINC000449446221 373724864 /nfs/dbraw/zinc/72/48/64/373724864.db2.gz PAMZBESNZZFNJO-AWEZNQCLSA-N 1 1 263.406 3.189 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000449457219 373740807 /nfs/dbraw/zinc/74/08/07/373740807.db2.gz UGKPZCGKMPOSDA-BZUAXINKSA-N 1 1 290.432 3.135 20 30 CGEDMO CCC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000179511548 373884402 /nfs/dbraw/zinc/88/44/02/373884402.db2.gz PXRSHLSBTZKNHA-MRXNPFEDSA-N 1 1 285.391 3.151 20 30 CGEDMO Cc1ccc(C[N@@H+](C)Cc2ccc(C#N)o2)cc1C ZINC000449763461 373892127 /nfs/dbraw/zinc/89/21/27/373892127.db2.gz RVLXPXAWJVYBOY-UHFFFAOYSA-N 1 1 254.333 3.400 20 30 CGEDMO C=CCN(Cc1ccccc1)c1cc(C)[nH+]c(C)n1 ZINC000302567042 373897983 /nfs/dbraw/zinc/89/79/83/373897983.db2.gz WXMWBSWRECEAIC-UHFFFAOYSA-N 1 1 253.349 3.286 20 30 CGEDMO C[NH+](C)CCCC1CCN(Cc2ccccc2C#N)CC1 ZINC000179702150 373907843 /nfs/dbraw/zinc/90/78/43/373907843.db2.gz AZNSGEBQHHRWPQ-UHFFFAOYSA-N 1 1 285.435 3.112 20 30 CGEDMO N#CCCCC[NH2+][C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000180163573 373971970 /nfs/dbraw/zinc/97/19/70/373971970.db2.gz LBKWXSMZWFVPFN-OTWHNJEPSA-N 1 1 297.446 3.180 20 30 CGEDMO COc1cccc(C2=CC[N@H+](CC3(C#N)CCC3)CC2)c1 ZINC000450320212 374057037 /nfs/dbraw/zinc/05/70/37/374057037.db2.gz UOJKODDDPLWHEH-UHFFFAOYSA-N 1 1 282.387 3.478 20 30 CGEDMO COc1cccc(C2=CC[N@@H+](CC3(C#N)CCC3)CC2)c1 ZINC000450320212 374057043 /nfs/dbraw/zinc/05/70/43/374057043.db2.gz UOJKODDDPLWHEH-UHFFFAOYSA-N 1 1 282.387 3.478 20 30 CGEDMO CCC(CC)C[N@H+](CCC#N)CCc1cscn1 ZINC000450463299 374146751 /nfs/dbraw/zinc/14/67/51/374146751.db2.gz NSXSRZGOIRXMRY-UHFFFAOYSA-N 1 1 265.426 3.337 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)CCc1cscn1 ZINC000450463299 374146756 /nfs/dbraw/zinc/14/67/56/374146756.db2.gz NSXSRZGOIRXMRY-UHFFFAOYSA-N 1 1 265.426 3.337 20 30 CGEDMO C[C@H](NC[C@H](C)[NH+]1CCC(C)CC1)c1cccc(C#N)c1 ZINC000181624431 374147480 /nfs/dbraw/zinc/14/74/80/374147480.db2.gz QTSOVQHVMCXCOX-HOTGVXAUSA-N 1 1 285.435 3.329 20 30 CGEDMO CC[N@@H+]1CCCC[C@@H]1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000181735005 374162532 /nfs/dbraw/zinc/16/25/32/374162532.db2.gz SNPXBEFHAJCBHR-WMLDXEAASA-N 1 1 271.408 3.083 20 30 CGEDMO CC[N@H+]1CCCC[C@@H]1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000181735005 374162541 /nfs/dbraw/zinc/16/25/41/374162541.db2.gz SNPXBEFHAJCBHR-WMLDXEAASA-N 1 1 271.408 3.083 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)[C@H](C)C1 ZINC000311271996 374237543 /nfs/dbraw/zinc/23/75/43/374237543.db2.gz SLFSCDAKVDQASQ-RISCZKNCSA-N 1 1 278.783 3.211 20 30 CGEDMO CC(C)c1nn(C)cc1NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000329315693 374403754 /nfs/dbraw/zinc/40/37/54/374403754.db2.gz HHTRTCADODYIJL-ZDUSSCGKSA-N 1 1 292.427 3.396 20 30 CGEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@H](CO)c1ccsc1 ZINC000329372543 374407003 /nfs/dbraw/zinc/40/70/03/374407003.db2.gz JJVRTQMNLZKSKR-ZIAGYGMSSA-N 1 1 296.436 3.003 20 30 CGEDMO COCc1csc(NC(=O)CC[C@H]2CCCC[N@H+]2C)n1 ZINC000330291396 374452912 /nfs/dbraw/zinc/45/29/12/374452912.db2.gz GLPMMNIUHKMWTJ-GFCCVEGCSA-N 1 1 297.424 3.142 20 30 CGEDMO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cc(C#N)cs2)on1 ZINC000334188525 206165772 /nfs/dbraw/zinc/16/57/72/206165772.db2.gz HNOLDYUOKVDREM-ZDUSSCGKSA-N 1 1 273.361 3.253 20 30 CGEDMO Cc1cc([C@@H]2CCC[N@H+]2Cc2cc(C#N)cs2)on1 ZINC000334188525 206165776 /nfs/dbraw/zinc/16/57/76/206165776.db2.gz HNOLDYUOKVDREM-ZDUSSCGKSA-N 1 1 273.361 3.253 20 30 CGEDMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000185596127 374695258 /nfs/dbraw/zinc/69/52/58/374695258.db2.gz JYLGKUUNGLJDCE-DOMZBBRYSA-N 1 1 258.365 3.187 20 30 CGEDMO C[C@@H]1CC[C@]2(CC[N@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C2)C1 ZINC000459399221 374807455 /nfs/dbraw/zinc/80/74/55/374807455.db2.gz BHHUUSWAEDELAQ-DYVFJYSZSA-N 1 1 299.374 3.479 20 30 CGEDMO C[C@@H]1CC[C@]2(CC[N@@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C2)C1 ZINC000459399221 374807458 /nfs/dbraw/zinc/80/74/58/374807458.db2.gz BHHUUSWAEDELAQ-DYVFJYSZSA-N 1 1 299.374 3.479 20 30 CGEDMO Cc1cc(C[N@H+]2CC[C@H](C)C[C@H]2C(N)=O)ccc1C#N ZINC000334552077 374848976 /nfs/dbraw/zinc/84/89/76/374848976.db2.gz DKDYCGXUUGODNW-NHYWBVRUSA-N 1 1 271.364 3.002 20 30 CGEDMO Cc1cc(C[N@@H+]2CC[C@H](C)C[C@H]2C(N)=O)ccc1C#N ZINC000334552077 374848982 /nfs/dbraw/zinc/84/89/82/374848982.db2.gz DKDYCGXUUGODNW-NHYWBVRUSA-N 1 1 271.364 3.002 20 30 CGEDMO C=CCC[N@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000467293342 374973298 /nfs/dbraw/zinc/97/32/98/374973298.db2.gz JRSJHNAEPZLKQY-UHFFFAOYSA-N 1 1 283.293 3.445 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](CC(=O)OC)[C@@H](C)CC)cc1 ZINC000467515293 374975844 /nfs/dbraw/zinc/97/58/44/374975844.db2.gz YCNCMEZKSLWNTO-AWEZNQCLSA-N 1 1 291.391 3.025 20 30 CGEDMO C=CCOc1ccc(C[N@H+](CC(=O)OC)[C@@H](C)CC)cc1 ZINC000467515293 374975849 /nfs/dbraw/zinc/97/58/49/374975849.db2.gz YCNCMEZKSLWNTO-AWEZNQCLSA-N 1 1 291.391 3.025 20 30 CGEDMO C[N@@H+](Cc1ccc(Cl)cc1C#N)C1CCC(CO)CC1 ZINC000187300817 375000308 /nfs/dbraw/zinc/00/03/08/375000308.db2.gz AJPPRHWIPKDULN-UHFFFAOYSA-N 1 1 292.810 3.195 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000472576930 375024266 /nfs/dbraw/zinc/02/42/66/375024266.db2.gz IWDCNMXHENQHCV-IKGGRYGDSA-N 1 1 273.420 3.500 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000472731521 375031177 /nfs/dbraw/zinc/03/11/77/375031177.db2.gz LNXJTOHBYNKVGZ-GDBMZVCRSA-N 1 1 279.811 3.456 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCc1ccccn1 ZINC000187721776 375080992 /nfs/dbraw/zinc/08/09/92/375080992.db2.gz BILABDVZRSCGFV-AWEZNQCLSA-N 1 1 265.360 3.189 20 30 CGEDMO C=C(C)C[N@@H+](C)CCOc1ccc(F)cc1Cl ZINC000481278097 375163753 /nfs/dbraw/zinc/16/37/53/375163753.db2.gz BBSRHVXRZSLTJR-UHFFFAOYSA-N 1 1 257.736 3.366 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@H](C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000481273444 375164092 /nfs/dbraw/zinc/16/40/92/375164092.db2.gz YMMZKGBLSCQUCQ-LSDHHAIUSA-N 1 1 286.419 3.251 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000481273444 375164095 /nfs/dbraw/zinc/16/40/95/375164095.db2.gz YMMZKGBLSCQUCQ-LSDHHAIUSA-N 1 1 286.419 3.251 20 30 CGEDMO COC[C@H](Cc1ccccc1)[N@@H+](C)CC#Cc1ccccc1 ZINC000483980823 375184282 /nfs/dbraw/zinc/18/42/82/375184282.db2.gz PJKVYSKXLIPGLR-FQEVSTJZSA-N 1 1 293.410 3.228 20 30 CGEDMO C=CC[N@H+](CCOC)C[C@@H](C)c1ccc(F)cc1 ZINC000483408806 375179622 /nfs/dbraw/zinc/17/96/22/375179622.db2.gz OVUCWFRLCBJKTA-CYBMUJFWSA-N 1 1 251.345 3.064 20 30 CGEDMO C=CC[N@H+](CCOC)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000483417963 375179928 /nfs/dbraw/zinc/17/99/28/375179928.db2.gz NRIQDZHPKHGABD-SDNWHVSQSA-N 1 1 290.363 3.133 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000335418783 375277219 /nfs/dbraw/zinc/27/72/19/375277219.db2.gz VYJWUXQLSOTMRW-OAHLLOKOSA-N 1 1 281.334 3.082 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000335418783 375277222 /nfs/dbraw/zinc/27/72/22/375277222.db2.gz VYJWUXQLSOTMRW-OAHLLOKOSA-N 1 1 281.334 3.082 20 30 CGEDMO CC[N@@H+](CCOCC(F)F)[C@@H](C)c1ccc(C#N)cc1 ZINC000188871658 375284181 /nfs/dbraw/zinc/28/41/81/375284181.db2.gz IJKZGIKBZQEAAC-LBPRGKRZSA-N 1 1 282.334 3.223 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000488120053 375305678 /nfs/dbraw/zinc/30/56/78/375305678.db2.gz DCLLSTAABOKKHW-JKSUJKDBSA-N 1 1 251.414 3.481 20 30 CGEDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cccc(C#N)c1F ZINC000335689113 375348537 /nfs/dbraw/zinc/34/85/37/375348537.db2.gz COGIJZWENPREIK-BXKDBHETSA-N 1 1 286.272 3.470 20 30 CGEDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cccc(C#N)c1F ZINC000335689113 375348545 /nfs/dbraw/zinc/34/85/45/375348545.db2.gz COGIJZWENPREIK-BXKDBHETSA-N 1 1 286.272 3.470 20 30 CGEDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1nc(C#N)cs1 ZINC000335728829 375383491 /nfs/dbraw/zinc/38/34/91/375383491.db2.gz OPIPXQKGTLXVTR-IUODEOHRSA-N 1 1 283.400 3.393 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000492988573 375458908 /nfs/dbraw/zinc/45/89/08/375458908.db2.gz CZIYGRVSEFJBFB-KGLIPLIRSA-N 1 1 280.412 3.036 20 30 CGEDMO Cn1cc(C[NH2+][C@H](c2ccco2)c2ccccc2)cc1C#N ZINC000189584908 375419060 /nfs/dbraw/zinc/41/90/60/375419060.db2.gz NSTKHULKAKORQG-SFHVURJKSA-N 1 1 291.354 3.369 20 30 CGEDMO C=CC[N@@H+]1CC2(C[C@@H]1C)CCN(C(=O)OC(C)(C)C)CC2 ZINC000496379990 375531751 /nfs/dbraw/zinc/53/17/51/375531751.db2.gz ISWYUNYIKYAQDP-AWEZNQCLSA-N 1 1 294.439 3.284 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)C/C(C)=C/c1ccccc1 ZINC000494232992 375487215 /nfs/dbraw/zinc/48/72/15/375487215.db2.gz FHDXKOYZCOFSKZ-OKACTXMXSA-N 1 1 259.393 3.349 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000494334414 375488863 /nfs/dbraw/zinc/48/88/63/375488863.db2.gz PZVUDSBGANQXKE-HUUCEWRRSA-N 1 1 294.439 3.025 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000495867153 375502758 /nfs/dbraw/zinc/50/27/58/375502758.db2.gz QHUWOSWEUIERIY-KGLIPLIRSA-N 1 1 282.428 3.140 20 30 CGEDMO C[C@H]1CSCC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000190405963 375505034 /nfs/dbraw/zinc/50/50/34/375505034.db2.gz ZRDOHZBBEZWIRA-CQSZACIVSA-N 1 1 290.432 3.012 20 30 CGEDMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1nc(C#N)cs1 ZINC000336012524 375617297 /nfs/dbraw/zinc/61/72/97/375617297.db2.gz CDGNXLOLTVKSRI-JSGCOSHPSA-N 1 1 283.400 3.393 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H](C)CO ZINC000120490013 542010737 /nfs/dbraw/zinc/01/07/37/542010737.db2.gz IRUNEZPKPOKFCM-SNVBAGLBSA-N 1 1 259.802 3.018 20 30 CGEDMO C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000336006281 375611956 /nfs/dbraw/zinc/61/19/56/375611956.db2.gz HGZKJIPCOAYEHS-BMIGLBTASA-N 1 1 269.373 3.038 20 30 CGEDMO Cc1nc2ccccn2c1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000507248487 375693362 /nfs/dbraw/zinc/69/33/62/375693362.db2.gz VUCBPWFDYJZQNB-UHFFFAOYSA-N 1 1 290.370 3.146 20 30 CGEDMO Cc1cc(C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)ccc1C#N ZINC000336096252 375683979 /nfs/dbraw/zinc/68/39/79/375683979.db2.gz XPIOKURHLMRJRY-KSSFIOAISA-N 1 1 294.402 3.146 20 30 CGEDMO C[C@@H](O)C[N@@H+](Cc1ccc(C#N)c(F)c1)C1CCCCC1 ZINC000191996928 375687949 /nfs/dbraw/zinc/68/79/49/375687949.db2.gz PDEXEISHBMTYSX-CYBMUJFWSA-N 1 1 290.382 3.213 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000192098227 375698595 /nfs/dbraw/zinc/69/85/95/375698595.db2.gz IYIGQNGAVYFYLJ-LJQANCHMSA-N 1 1 276.383 3.225 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](CCOC)CC(C)C)c1 ZINC000508533048 375748544 /nfs/dbraw/zinc/74/85/44/375748544.db2.gz XAGXWXBFDIHEKV-UHFFFAOYSA-N 1 1 277.408 3.356 20 30 CGEDMO C=C(C)CC[N@@H+](CCOC)CCOc1ccc(F)cc1 ZINC000509658250 375781643 /nfs/dbraw/zinc/78/16/43/375781643.db2.gz NFCUMSDEBILJQU-UHFFFAOYSA-N 1 1 281.371 3.119 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000509128212 375773188 /nfs/dbraw/zinc/77/31/88/375773188.db2.gz VMICGCVDGQCUCD-QGZVFWFLSA-N 1 1 257.377 3.474 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](CC)C2)cc1 ZINC000511853417 375793256 /nfs/dbraw/zinc/79/32/56/375793256.db2.gz BNJSKEBJSUGDLC-ZBFHGGJFSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](CC)C2)cc1 ZINC000511853417 375793263 /nfs/dbraw/zinc/79/32/63/375793263.db2.gz BNJSKEBJSUGDLC-ZBFHGGJFSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CCOCC[N@@H+]1CC[C@](C)(c2ccc(C)cc2)C1 ZINC000514827213 375807391 /nfs/dbraw/zinc/80/73/91/375807391.db2.gz OAYAUUBGSAXUDT-KRWDZBQOSA-N 1 1 259.393 3.161 20 30 CGEDMO C[N@H+](CC#Cc1ccc(F)cc1)Cc1ccsc1 ZINC000129779389 542058494 /nfs/dbraw/zinc/05/84/94/542058494.db2.gz SZYVDKCPWUBEFE-UHFFFAOYSA-N 1 1 259.349 3.371 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(F)cc1)Cc1ccsc1 ZINC000129779389 542058497 /nfs/dbraw/zinc/05/84/97/542058497.db2.gz SZYVDKCPWUBEFE-UHFFFAOYSA-N 1 1 259.349 3.371 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@]1(CCC)C(=O)OCC ZINC000510781520 375788253 /nfs/dbraw/zinc/78/82/53/375788253.db2.gz PEJBNNPOVPDQFL-OAHLLOKOSA-N 1 1 253.386 3.150 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000511755511 375792038 /nfs/dbraw/zinc/79/20/38/375792038.db2.gz LGXRMINBHDZPHG-SQNIBIBYSA-N 1 1 298.430 3.431 20 30 CGEDMO CC(C)[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)CC1CCC1 ZINC000193205720 375841343 /nfs/dbraw/zinc/84/13/43/375841343.db2.gz HGMDKLIGRLWLCA-UHFFFAOYSA-N 1 1 299.418 3.397 20 30 CGEDMO CC(=O)c1ccc(C#N)c(NC[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000528210914 375898228 /nfs/dbraw/zinc/89/82/28/375898228.db2.gz QYBGSADZODWPDD-KRWDZBQOSA-N 1 1 297.402 3.190 20 30 CGEDMO COCCC1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000528576891 375904983 /nfs/dbraw/zinc/90/49/83/375904983.db2.gz FCAONGLZPOVFAE-UHFFFAOYSA-N 1 1 292.810 3.460 20 30 CGEDMO N#CCC[N@@H+](Cc1ccc2cc[nH]c2c1)CC1CC1 ZINC000529531525 375928524 /nfs/dbraw/zinc/92/85/24/375928524.db2.gz SNDHLVGVMMBQDG-UHFFFAOYSA-N 1 1 253.349 3.294 20 30 CGEDMO N#CCC[N@H+](Cc1ccc2cc[nH]c2c1)CC1CC1 ZINC000529531525 375928530 /nfs/dbraw/zinc/92/85/30/375928530.db2.gz SNDHLVGVMMBQDG-UHFFFAOYSA-N 1 1 253.349 3.294 20 30 CGEDMO COCC(C)(C)[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000336795860 375943485 /nfs/dbraw/zinc/94/34/85/375943485.db2.gz NUXNJAFPEGZGON-UHFFFAOYSA-N 1 1 266.772 3.068 20 30 CGEDMO C=CCCC[N@@H+](Cc1ccccc1)[C@@H](CO)C(C)C ZINC000531405971 375946195 /nfs/dbraw/zinc/94/61/95/375946195.db2.gz PYJBFFDEJSYRHE-KRWDZBQOSA-N 1 1 261.409 3.472 20 30 CGEDMO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)C1CCC(C)(C)CC1 ZINC000336854369 376012368 /nfs/dbraw/zinc/01/23/68/376012368.db2.gz NSJYRZKAXNOVSZ-UHFFFAOYSA-N 1 1 299.418 3.397 20 30 CGEDMO C=CCN1CC[C@@H]([N@H+](Cc2ccccc2)[C@@H](C)CC)C1=O ZINC000337135427 376092858 /nfs/dbraw/zinc/09/28/58/376092858.db2.gz NSDNMNAJXVVIHT-DOTOQJQBSA-N 1 1 286.419 3.074 20 30 CGEDMO N#CC1(CCC[N@H+]2CCC[C@@H]3CCC[C@@H]32)CCOCC1 ZINC000337184587 376121206 /nfs/dbraw/zinc/12/12/06/376121206.db2.gz NWEVXOQSCVEUJH-HOTGVXAUSA-N 1 1 276.424 3.351 20 30 CGEDMO CC(C)[N@H+](CCC#N)Cc1ccc(OCC(F)F)cc1 ZINC000536646031 376106694 /nfs/dbraw/zinc/10/66/94/376106694.db2.gz ONAPAQMUXNMDJL-UHFFFAOYSA-N 1 1 282.334 3.455 20 30 CGEDMO CC(C)[N@@H+](CCC#N)Cc1ccc(OCC(F)F)cc1 ZINC000536646031 376106699 /nfs/dbraw/zinc/10/66/99/376106699.db2.gz ONAPAQMUXNMDJL-UHFFFAOYSA-N 1 1 282.334 3.455 20 30 CGEDMO C[C@H](CNc1cccc(F)c1C#N)[N@H+]1CCC[C@@H](C)C1 ZINC000195666964 376117569 /nfs/dbraw/zinc/11/75/69/376117569.db2.gz NPHIRKILUGDKNF-CHWSQXEVSA-N 1 1 275.371 3.230 20 30 CGEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](C)C3(CCCCC3)C2)C1=O ZINC000337216057 376144078 /nfs/dbraw/zinc/14/40/78/376144078.db2.gz YXKXEZOBHPJQBM-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO COc1ccc2c(c1)CCC[N@H+](CCC(C)(C)C#N)C2 ZINC000537386028 376166102 /nfs/dbraw/zinc/16/61/02/376166102.db2.gz WRILNEBNUONQBI-UHFFFAOYSA-N 1 1 272.392 3.383 20 30 CGEDMO CC1=C(C)C[N@@H+](CCCC2(C#N)CCOCC2)CC1 ZINC000337254541 376167787 /nfs/dbraw/zinc/16/77/87/376167787.db2.gz SLOHNUHDIVDONE-UHFFFAOYSA-N 1 1 262.397 3.129 20 30 CGEDMO C=CCN1CC[C@@H]([N@H+](C)C2CCC(CCC)CC2)C1=O ZINC000337262974 376174951 /nfs/dbraw/zinc/17/49/51/376174951.db2.gz WWGZFAZRZFPJDI-UYSNPLJNSA-N 1 1 278.440 3.064 20 30 CGEDMO CC[C@H](C)[N@@H+](C)CCNc1ccc(C#N)c(Cl)c1 ZINC000218089760 376184798 /nfs/dbraw/zinc/18/47/98/376184798.db2.gz UKRGGKYRWLKDNS-NSHDSACASA-N 1 1 265.788 3.354 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1[C@H](C)c2ccc(F)cc2C[C@@H]1C ZINC000539887704 376345276 /nfs/dbraw/zinc/34/52/76/376345276.db2.gz UUMBJNVNGQXWTL-ZENOOKHLSA-N 1 1 277.383 3.460 20 30 CGEDMO C=CCC[N@H+](C)Cc1cccc(Br)c1OC ZINC000338546736 376419987 /nfs/dbraw/zinc/41/99/87/376419987.db2.gz IXWOLJLRNYVRGR-UHFFFAOYSA-N 1 1 284.197 3.466 20 30 CGEDMO CCn1nccc1CC[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000338549186 376424091 /nfs/dbraw/zinc/42/40/91/376424091.db2.gz NLSSCFFLSGQRLP-OAHLLOKOSA-N 1 1 296.418 3.400 20 30 CGEDMO C=C(CC)C[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000540203845 376366568 /nfs/dbraw/zinc/36/65/68/376366568.db2.gz AKCONFOPFIEKMV-KRWDZBQOSA-N 1 1 259.393 3.286 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](O)COc1cc(C)ccc1Cl ZINC000542508561 376551996 /nfs/dbraw/zinc/55/19/96/376551996.db2.gz HCXBUZBRQACNIA-CQSZACIVSA-N 1 1 297.826 3.286 20 30 CGEDMO CC[N@H+](C/C=C\c1ccc(F)cc1F)C[C@H](C)C#N ZINC000542705095 376573545 /nfs/dbraw/zinc/57/35/45/376573545.db2.gz OGETXQMCNGVTTR-QMAVJUDZSA-N 1 1 264.319 3.460 20 30 CGEDMO CC[N@@H+](C/C=C\c1ccc(F)cc1F)C[C@H](C)C#N ZINC000542705095 376573551 /nfs/dbraw/zinc/57/35/51/376573551.db2.gz OGETXQMCNGVTTR-QMAVJUDZSA-N 1 1 264.319 3.460 20 30 CGEDMO COCC[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CC[C@H](C)C1 ZINC000338939078 376586583 /nfs/dbraw/zinc/58/65/83/376586583.db2.gz VJUGBNCDPTVZOC-WMLDXEAASA-N 1 1 272.392 3.195 20 30 CGEDMO COc1ccc(C[N@H+]2C[C@@H](C)CC(C)(C)C2)cc1C#N ZINC000543173175 376613578 /nfs/dbraw/zinc/61/35/78/376613578.db2.gz XKJDYRKYOBAGSO-ZDUSSCGKSA-N 1 1 272.392 3.435 20 30 CGEDMO C[N@@H+](CCCCC(C)(C)C#N)C[C@H]1CCCOC1 ZINC000234272209 376615324 /nfs/dbraw/zinc/61/53/24/376615324.db2.gz QZDVNYMNZABFJP-CQSZACIVSA-N 1 1 252.402 3.065 20 30 CGEDMO C[N@@H+](CCCCC(C)(C)C#N)C[C@@H]1CCCCO1 ZINC000234271961 376615596 /nfs/dbraw/zinc/61/55/96/376615596.db2.gz OZDMALSDFXLPCP-AWEZNQCLSA-N 1 1 252.402 3.207 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCCNc1nccc(C#N)c1Cl ZINC000235251428 376637072 /nfs/dbraw/zinc/63/70/72/376637072.db2.gz WEDZTWVAMQYUGA-GFCCVEGCSA-N 1 1 292.814 3.283 20 30 CGEDMO C=C(CC)C[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000543557695 376654973 /nfs/dbraw/zinc/65/49/73/376654973.db2.gz FQPXJWPXCFJOBS-QGZVFWFLSA-N 1 1 259.393 3.286 20 30 CGEDMO N#CCC1CC[NH+](Cc2ccn(-c3ccc(F)cc3)n2)CC1 ZINC000543811739 376679715 /nfs/dbraw/zinc/67/97/15/376679715.db2.gz WONQTYZQJCVEHF-UHFFFAOYSA-N 1 1 298.365 3.137 20 30 CGEDMO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@H+]1CCOCCC#N ZINC000339206106 376734667 /nfs/dbraw/zinc/73/46/67/376734667.db2.gz OXZZAAONOXPYOA-KGLIPLIRSA-N 1 1 252.402 3.063 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](OCC)C1 ZINC000155456309 542124002 /nfs/dbraw/zinc/12/40/02/542124002.db2.gz WWJAWIMRABYLIW-MRXNPFEDSA-N 1 1 275.392 3.252 20 30 CGEDMO N#CCC[N@@H+](Cc1cccnc1)CC1Cc2ccccc2C1 ZINC000555093540 376854069 /nfs/dbraw/zinc/85/40/69/376854069.db2.gz UDSVSPORYZJHKT-UHFFFAOYSA-N 1 1 291.398 3.212 20 30 CGEDMO N#CCC[N@H+](Cc1cccnc1)CC1Cc2ccccc2C1 ZINC000555093540 376854083 /nfs/dbraw/zinc/85/40/83/376854083.db2.gz UDSVSPORYZJHKT-UHFFFAOYSA-N 1 1 291.398 3.212 20 30 CGEDMO CC#CC[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000555752803 376860592 /nfs/dbraw/zinc/86/05/92/376860592.db2.gz LKGJKFGFTXIXLG-UHFFFAOYSA-N 1 1 265.278 3.012 20 30 CGEDMO CC#CC[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000555752803 376860599 /nfs/dbraw/zinc/86/05/99/376860599.db2.gz LKGJKFGFTXIXLG-UHFFFAOYSA-N 1 1 265.278 3.012 20 30 CGEDMO CC(C)[C@H](C)[N@H+]1Cc2cccc(N[C@H](C)C#N)c2C1 ZINC000246236658 376994983 /nfs/dbraw/zinc/99/49/83/376994983.db2.gz VOZPHDKSBAHGPE-OLZOCXBDSA-N 1 1 257.381 3.371 20 30 CGEDMO CC[C@@H](NCC[N@@H+](C)[C@@H](C)CC)c1ccc(C#N)cc1 ZINC000559984456 377112055 /nfs/dbraw/zinc/11/20/55/377112055.db2.gz IWNXWMKMVPXTML-WMLDXEAASA-N 1 1 273.424 3.329 20 30 CGEDMO CC[C@@H](NCC[N@H+](C)[C@@H](C)CC)c1ccc(C#N)cc1 ZINC000559984456 377112060 /nfs/dbraw/zinc/11/20/60/377112060.db2.gz IWNXWMKMVPXTML-WMLDXEAASA-N 1 1 273.424 3.329 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1F)[C@@H](CCO)c1ccccc1 ZINC000340895644 377308313 /nfs/dbraw/zinc/30/83/13/377308313.db2.gz NDCZZPDAADNTNO-KRWDZBQOSA-N 1 1 298.361 3.253 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1F)[C@@H](CCO)c1ccccc1 ZINC000340895644 377308316 /nfs/dbraw/zinc/30/83/16/377308316.db2.gz NDCZZPDAADNTNO-KRWDZBQOSA-N 1 1 298.361 3.253 20 30 CGEDMO C=CCCCCC[N@@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000248654635 377377231 /nfs/dbraw/zinc/37/72/31/377377231.db2.gz AQZYJSHEZNCELL-OWCLPIDISA-N 1 1 267.413 3.001 20 30 CGEDMO CC(C)[NH2+]CCCN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000562956424 377377999 /nfs/dbraw/zinc/37/79/99/377377999.db2.gz SXCJKEVNTODQLY-GOSISDBHSA-N 1 1 285.435 3.303 20 30 CGEDMO CC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000248903911 377425413 /nfs/dbraw/zinc/42/54/13/377425413.db2.gz WXTHGTHENNDLFZ-KGLIPLIRSA-N 1 1 285.391 3.007 20 30 CGEDMO COc1ccc(C[C@@H](C)C[N@@H+](C)[C@@H](C)CC#N)cc1F ZINC000248925821 377429076 /nfs/dbraw/zinc/42/90/76/377429076.db2.gz FWQFREHLBWESFL-OLZOCXBDSA-N 1 1 278.371 3.247 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccccc1[N+](=O)[O-] ZINC000341267565 377477904 /nfs/dbraw/zinc/47/79/04/377477904.db2.gz JJNWAKBSKNROIU-SNVBAGLBSA-N 1 1 287.344 3.379 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000249280026 377485015 /nfs/dbraw/zinc/48/50/15/377485015.db2.gz NDCZQCWVLFROHS-FHLIZLRMSA-N 1 1 283.419 3.035 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000249280026 377485022 /nfs/dbraw/zinc/48/50/22/377485022.db2.gz NDCZQCWVLFROHS-FHLIZLRMSA-N 1 1 283.419 3.035 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000565580125 377489480 /nfs/dbraw/zinc/48/94/80/377489480.db2.gz VRINVLHDMRPZEK-CQSZACIVSA-N 1 1 274.412 3.218 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000565580125 377489485 /nfs/dbraw/zinc/48/94/85/377489485.db2.gz VRINVLHDMRPZEK-CQSZACIVSA-N 1 1 274.412 3.218 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000565580125 377489488 /nfs/dbraw/zinc/48/94/88/377489488.db2.gz VRINVLHDMRPZEK-CQSZACIVSA-N 1 1 274.412 3.218 20 30 CGEDMO N#CCCNCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000570509770 377535802 /nfs/dbraw/zinc/53/58/02/377535802.db2.gz JXLSEYAHUVKHRB-UHFFFAOYSA-N 1 1 299.462 3.225 20 30 CGEDMO CCC1CCC([N@@H+](C)CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000315267944 249098468 /nfs/dbraw/zinc/09/84/68/249098468.db2.gz DFMSHQCUIRYBFC-UHFFFAOYSA-N 1 1 299.418 3.397 20 30 CGEDMO C[C@H]1C[C@H](C)[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000490548988 249173672 /nfs/dbraw/zinc/17/36/72/249173672.db2.gz URLYMQXDCPOPKB-KBPBESRZSA-N 1 1 294.402 3.189 20 30 CGEDMO COc1ccc2c(c1)CCC[N@@H+]([C@@H](C)CCC#N)C2 ZINC000573809636 377577918 /nfs/dbraw/zinc/57/79/18/377577918.db2.gz SXIDUFHGUFVXIA-ZDUSSCGKSA-N 1 1 258.365 3.136 20 30 CGEDMO Cc1nsc(N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1C#N ZINC000341836938 377621223 /nfs/dbraw/zinc/62/12/23/377621223.db2.gz AADJPQGSFYUMKF-GRYCIOLGSA-N 1 1 292.452 3.102 20 30 CGEDMO C[N@@H+](CC[C@@H]1CCCO1)Cc1ccccc1C(C)(C)C#N ZINC000342606525 377687803 /nfs/dbraw/zinc/68/78/03/377687803.db2.gz PXMJPCBCRXQXHJ-INIZCTEOSA-N 1 1 286.419 3.489 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000342719437 377753790 /nfs/dbraw/zinc/75/37/90/377753790.db2.gz JVLBWDGVGWMRJY-AWEZNQCLSA-N 1 1 296.773 3.092 20 30 CGEDMO Cc1ccnc(NC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1C#N ZINC000343526593 378008059 /nfs/dbraw/zinc/00/80/59/378008059.db2.gz KGWCPZZKRWJTBN-OAHLLOKOSA-N 1 1 294.402 3.194 20 30 CGEDMO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2ccc(CC#N)cc2)C1(C)C ZINC000343535921 378010629 /nfs/dbraw/zinc/01/06/29/378010629.db2.gz JXRSZOFJUACTCU-FUHWJXTLSA-N 1 1 286.419 3.388 20 30 CGEDMO CN1CC[N@@H+](Cc2ccc(CC#N)cc2)Cc2ccccc21 ZINC000343542959 378014075 /nfs/dbraw/zinc/01/40/75/378014075.db2.gz WHNOQFDEUGTDCS-UHFFFAOYSA-N 1 1 291.398 3.205 20 30 CGEDMO Cc1occc1C[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000264520650 377988326 /nfs/dbraw/zinc/98/83/26/377988326.db2.gz AFARACRUDMKBME-UHFFFAOYSA-N 1 1 270.332 3.122 20 30 CGEDMO C[C@@H](C/N=C/c1cccc(O)c1O)[N@@H+](C)Cc1ccccc1 ZINC000264636768 377991304 /nfs/dbraw/zinc/99/13/04/377991304.db2.gz LVECSTKIOMCGQN-BXUJETTOSA-N 1 1 298.386 3.037 20 30 CGEDMO C[N@@H+](Cc1ccccc1)C1CN(c2ccc(F)cc2C#N)C1 ZINC000343586819 378029314 /nfs/dbraw/zinc/02/93/14/378029314.db2.gz FOWICDNNQCQEFP-UHFFFAOYSA-N 1 1 295.361 3.018 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000578067377 378035037 /nfs/dbraw/zinc/03/50/37/378035037.db2.gz KMTKAOPSOCBNQX-WFASDCNBSA-N 1 1 285.347 3.231 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H]1CCCN(c2ccccc2)C1=O ZINC000343602448 378036256 /nfs/dbraw/zinc/03/62/56/378036256.db2.gz RLIWYOBRCFQCKS-INIZCTEOSA-N 1 1 272.392 3.080 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCCO[C@@H](CC)C2)c1 ZINC000343685503 378066432 /nfs/dbraw/zinc/06/64/32/378066432.db2.gz VFEMSRCIUSREND-INIZCTEOSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000343742018 378079462 /nfs/dbraw/zinc/07/94/62/378079462.db2.gz OAPXGOOMFVSNJM-INIZCTEOSA-N 1 1 290.382 3.219 20 30 CGEDMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000268619312 378081664 /nfs/dbraw/zinc/08/16/64/378081664.db2.gz NGULIHPIWNGFLA-SCLBCKFNSA-N 1 1 298.361 3.424 20 30 CGEDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000268619309 378081921 /nfs/dbraw/zinc/08/19/21/378081921.db2.gz NGULIHPIWNGFLA-ACJLOTCBSA-N 1 1 298.361 3.424 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)CCCCCn1cccn1 ZINC000266739816 378025897 /nfs/dbraw/zinc/02/58/97/378025897.db2.gz NCOREMGLXDIFRO-UHFFFAOYSA-N 1 1 276.428 3.315 20 30 CGEDMO C=CC[C@H](CO)CNc1c(C)c[nH+]c2c(OC)cccc12 ZINC000345110321 378198001 /nfs/dbraw/zinc/19/80/01/378198001.db2.gz IBMMGTBJFMBUJF-ZDUSSCGKSA-N 1 1 286.375 3.148 20 30 CGEDMO CC(C)(C)C[C@H]1CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000579849392 378202149 /nfs/dbraw/zinc/20/21/49/378202149.db2.gz WJNPITCXTNAAAD-OAHLLOKOSA-N 1 1 257.381 3.354 20 30 CGEDMO CCC(C)(C)[C@H]1CCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000579960344 378211666 /nfs/dbraw/zinc/21/16/66/378211666.db2.gz NJRJXUATHGELJL-OAHLLOKOSA-N 1 1 297.406 3.002 20 30 CGEDMO C[N@@H+](CCCC(C)(C)C#N)CCOCc1ccc(C#N)cc1 ZINC000344066892 378157402 /nfs/dbraw/zinc/15/74/02/378157402.db2.gz IBXWIKDAZVYGMJ-UHFFFAOYSA-N 1 1 299.418 3.337 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCCC[C@@H]1CCO ZINC000268979089 378164874 /nfs/dbraw/zinc/16/48/74/378164874.db2.gz OHLRHOWNCVNXTI-MRXNPFEDSA-N 1 1 286.419 3.225 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C)CC1CCC(C(F)(F)F)CC1 ZINC000344510667 378173394 /nfs/dbraw/zinc/17/33/94/378173394.db2.gz HOIHBAWPBKHOBB-UNXYVOJBSA-N 1 1 262.319 3.447 20 30 CGEDMO C=C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000580902709 378267188 /nfs/dbraw/zinc/26/71/88/378267188.db2.gz NEPONAVPJPLTIY-QZTJIDSGSA-N 1 1 298.430 3.076 20 30 CGEDMO C[C@H](C[N@@H+](C)Cc1ccc(C#N)cn1)c1ccccc1 ZINC000580209188 378233133 /nfs/dbraw/zinc/23/31/33/378233133.db2.gz WYLIDYVEGOZYOB-CQSZACIVSA-N 1 1 265.360 3.189 20 30 CGEDMO C=C[C@@H](CC(=O)NCCC[N@H+](C)C(C)C)c1ccccc1 ZINC000270212792 378323356 /nfs/dbraw/zinc/32/33/56/378323356.db2.gz FJTNAERRMVJZMY-INIZCTEOSA-N 1 1 288.435 3.193 20 30 CGEDMO C=C1CC[NH+](Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000270357740 378340375 /nfs/dbraw/zinc/34/03/75/378340375.db2.gz XKHQVJSDQDERHJ-UHFFFAOYSA-N 1 1 267.376 3.083 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cn2)[C@@H]2CCCC[C@H]12 ZINC000583880183 378355073 /nfs/dbraw/zinc/35/50/73/378355073.db2.gz PVXMXBOZOLOFRD-KBRIMQKVSA-N 1 1 269.392 3.354 20 30 CGEDMO C=CCOc1ccc(C[NH2+]CC2(C#N)CC2)cc1Cl ZINC000574705452 335041690 /nfs/dbraw/zinc/04/16/90/335041690.db2.gz DLZDMJOMQDQGOU-UHFFFAOYSA-N 1 1 276.767 3.298 20 30 CGEDMO CC[N@@H+](Cc1ccncc1)Cc1ccc(OCC#N)cc1 ZINC000271002609 378425674 /nfs/dbraw/zinc/42/56/74/378425674.db2.gz KMQQHCPAMNIJOP-UHFFFAOYSA-N 1 1 281.359 3.006 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000637623843 378542009 /nfs/dbraw/zinc/54/20/09/378542009.db2.gz OWTPHUZKPYGUNU-LSDHHAIUSA-N 1 1 295.471 3.103 20 30 CGEDMO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccccn1 ZINC000272319903 378611736 /nfs/dbraw/zinc/61/17/36/378611736.db2.gz VSNNOYGNDRJPEI-ZDUSSCGKSA-N 1 1 263.344 3.293 20 30 CGEDMO CC(C)[C@H](C)[N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000272339667 378615631 /nfs/dbraw/zinc/61/56/31/378615631.db2.gz YMROYCCTBCEOSS-AWEZNQCLSA-N 1 1 296.418 3.435 20 30 CGEDMO C=CCOc1ccc(CN(C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000346682646 378675340 /nfs/dbraw/zinc/67/53/40/378675340.db2.gz OHYXBPPQJGNMRP-QGZVFWFLSA-N 1 1 276.424 3.057 20 30 CGEDMO CC[C@H](CO)[N@@H+](CCC(C)(C)C#N)Cc1ccccc1 ZINC000346955779 378698378 /nfs/dbraw/zinc/69/83/78/378698378.db2.gz YPRMMSMMOJUECU-MRXNPFEDSA-N 1 1 274.408 3.199 20 30 CGEDMO C#CCCCC[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272717779 378693593 /nfs/dbraw/zinc/69/35/93/378693593.db2.gz DSYVXBXTPIXTBS-MJGOQNOKSA-N 1 1 284.447 3.290 20 30 CGEDMO C=CCOCCCN1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000348026638 378757330 /nfs/dbraw/zinc/75/73/30/378757330.db2.gz FGWOYLVQAVQKAH-ROUUACIJSA-N 1 1 294.483 3.166 20 30 CGEDMO C=CCOCCCN1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000348026638 378757335 /nfs/dbraw/zinc/75/73/35/378757335.db2.gz FGWOYLVQAVQKAH-ROUUACIJSA-N 1 1 294.483 3.166 20 30 CGEDMO C=C(Cl)CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272812572 378708313 /nfs/dbraw/zinc/70/83/13/378708313.db2.gz NQZLRKLRJFPVOP-GOEBONIOSA-N 1 1 278.827 3.239 20 30 CGEDMO C=C(CC)C[N@@H+](Cc1cccs1)[C@H]1C=C[C@H](CO)C1 ZINC000347359163 378717890 /nfs/dbraw/zinc/71/78/90/378717890.db2.gz WFIKYGLTERSGPZ-GJZGRUSLSA-N 1 1 277.433 3.453 20 30 CGEDMO C[N@@H+]1CC=C(CNc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000274009317 378762867 /nfs/dbraw/zinc/76/28/67/378762867.db2.gz UOXZLDADQGGUFV-UHFFFAOYSA-N 1 1 295.308 3.251 20 30 CGEDMO C=CCOCCC[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000348043215 378763312 /nfs/dbraw/zinc/76/33/12/378763312.db2.gz GGWGSNCQCIEKPX-UHFFFAOYSA-N 1 1 275.392 3.197 20 30 CGEDMO C=CCOCCC[N@@H+]1C[C@H](c2ccccc2)OC[C@H]1C ZINC000348049687 378766120 /nfs/dbraw/zinc/76/61/20/378766120.db2.gz JBXBJMPSPVPZEZ-NVXWUHKLSA-N 1 1 275.392 3.041 20 30 CGEDMO C=CCOCCC[N@H+](CC)[C@@H](C)c1cccc(O)c1 ZINC000348054984 378769240 /nfs/dbraw/zinc/76/92/40/378769240.db2.gz ZWPMGMYSRVQCML-AWEZNQCLSA-N 1 1 263.381 3.368 20 30 CGEDMO C=CCOCCC[N@H+](C)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000348059120 378771150 /nfs/dbraw/zinc/77/11/50/378771150.db2.gz VUCSOOLNJXWNNP-JKSUJKDBSA-N 1 1 281.440 3.249 20 30 CGEDMO C=CCOCCC[N@H+](C)Cc1cc(C)ccc1F ZINC000348180131 378825371 /nfs/dbraw/zinc/82/53/71/378825371.db2.gz KXQLGGSUVGLQQG-UHFFFAOYSA-N 1 1 251.345 3.159 20 30 CGEDMO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCC(C)(C)C#N ZINC000274791569 378897076 /nfs/dbraw/zinc/89/70/76/378897076.db2.gz CAZPCNRTWFJFKX-SJLPKXTDSA-N 1 1 299.462 3.426 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cncc(OC)c1C ZINC000638917394 378952625 /nfs/dbraw/zinc/95/26/25/378952625.db2.gz DHVSOORPQLFPDF-UHFFFAOYSA-N 1 1 286.375 3.222 20 30 CGEDMO CC[N@@H+](C[C@@H]1CCCO1)[C@H](C)c1cccc(C#N)c1 ZINC000275952608 378960718 /nfs/dbraw/zinc/96/07/18/378960718.db2.gz FPPNAASCXVEEAH-CJNGLKHVSA-N 1 1 258.365 3.120 20 30 CGEDMO C=C(CC)C[NH2+][C@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000348513326 378973127 /nfs/dbraw/zinc/97/31/27/378973127.db2.gz JIGZGPXWKRSPAE-LLVKDONJSA-N 1 1 282.409 3.245 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Br)o1)C1CC1 ZINC000276759706 378992007 /nfs/dbraw/zinc/99/20/07/378992007.db2.gz MRSFOHUQGWBCFX-UHFFFAOYSA-N 1 1 256.143 3.193 20 30 CGEDMO C=CC[N@H+](Cc1ccc(Br)o1)C1CC1 ZINC000276759706 378992012 /nfs/dbraw/zinc/99/20/12/378992012.db2.gz MRSFOHUQGWBCFX-UHFFFAOYSA-N 1 1 256.143 3.193 20 30 CGEDMO CC[N@@H+](CCc1cccs1)Cc1cc(C#N)n(C)c1 ZINC000276774372 378995492 /nfs/dbraw/zinc/99/54/92/378995492.db2.gz PHIHWBCQMVGHLT-UHFFFAOYSA-N 1 1 273.405 3.023 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000276828470 379002907 /nfs/dbraw/zinc/00/29/07/379002907.db2.gz ARZYAQSOMKNLGB-JTQLQIEISA-N 1 1 279.181 3.163 20 30 CGEDMO N#Cc1ccccc1OCC[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278677398 194097164 /nfs/dbraw/zinc/09/71/64/194097164.db2.gz IOEZUCLVVWWWRD-LBPRGKRZSA-N 1 1 298.308 3.211 20 30 CGEDMO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](CCCSCC#N)C1 ZINC000372022322 379187046 /nfs/dbraw/zinc/18/70/46/379187046.db2.gz WWZSWUPTKYRHJT-ZFWWWQNUSA-N 1 1 275.421 3.111 20 30 CGEDMO C[N@H+](CCCCC(C)(C)C#N)Cc1nccs1 ZINC000277603902 379197710 /nfs/dbraw/zinc/19/77/10/379197710.db2.gz FITXGLPRINDROO-UHFFFAOYSA-N 1 1 251.399 3.295 20 30 CGEDMO C[N@@H+](CCCCC(C)(C)C#N)Cc1nccs1 ZINC000277603902 379197714 /nfs/dbraw/zinc/19/77/14/379197714.db2.gz FITXGLPRINDROO-UHFFFAOYSA-N 1 1 251.399 3.295 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@H](C)c2cnc(C)nc2C)C1 ZINC000639310045 379261595 /nfs/dbraw/zinc/26/15/95/379261595.db2.gz NNYXAPGKKSIEKG-UKRRQHHQSA-N 1 1 259.397 3.443 20 30 CGEDMO CC[C@H]([NH2+]Cc1nccs1)c1ccc(C#N)cc1 ZINC000278254023 379327625 /nfs/dbraw/zinc/32/76/25/379327625.db2.gz MYLHVDNRGMDZHQ-ZDUSSCGKSA-N 1 1 257.362 3.256 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000639348429 379304188 /nfs/dbraw/zinc/30/41/88/379304188.db2.gz PBWBPYJLTRDVTP-SJORKVTESA-N 1 1 270.420 3.411 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2ccnn2CC2CCC2)C1 ZINC000639349190 379306467 /nfs/dbraw/zinc/30/64/67/379306467.db2.gz WEAJTNWWJJZVHA-AWEZNQCLSA-N 1 1 259.397 3.081 20 30 CGEDMO N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCN2C2CCCCC2)C1 ZINC000373894599 379347303 /nfs/dbraw/zinc/34/73/03/379347303.db2.gz XMSIHABTZRSGJN-RYRKJORJSA-N 1 1 289.467 3.455 20 30 CGEDMO N#C[C@@H]1CCC[C@H](NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000373894599 379347313 /nfs/dbraw/zinc/34/73/13/379347313.db2.gz XMSIHABTZRSGJN-RYRKJORJSA-N 1 1 289.467 3.455 20 30 CGEDMO N#C[C@@H]1CCC[C@H](NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000373894599 379347324 /nfs/dbraw/zinc/34/73/24/379347324.db2.gz XMSIHABTZRSGJN-RYRKJORJSA-N 1 1 289.467 3.455 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000279660744 379484113 /nfs/dbraw/zinc/48/41/13/379484113.db2.gz COILIDJBNCXJBU-CZUORRHYSA-N 1 1 272.392 3.366 20 30 CGEDMO C=CC[N@@H+](Cc1cnc(-c2ccncc2)s1)C1CC1 ZINC000350267915 379533284 /nfs/dbraw/zinc/53/32/84/379533284.db2.gz PCLQMSMWRXYTEA-UHFFFAOYSA-N 1 1 271.389 3.356 20 30 CGEDMO C=CC[N@H+](Cc1cc2c(cc1SC)OCCO2)C1CC1 ZINC000350324887 379537821 /nfs/dbraw/zinc/53/78/21/379537821.db2.gz YIWMRCCWPKSMBF-UHFFFAOYSA-N 1 1 291.416 3.330 20 30 CGEDMO C=CC[N@@H+](Cc1cnc(CC(C)C)s1)C1CC1 ZINC000350316725 379537991 /nfs/dbraw/zinc/53/79/91/379537991.db2.gz LFIXQBQHTLRBHF-UHFFFAOYSA-N 1 1 250.411 3.492 20 30 CGEDMO C=CC[N@H+](Cc1cnc(CC(C)C)s1)C1CC1 ZINC000350316725 379537998 /nfs/dbraw/zinc/53/79/98/379537998.db2.gz LFIXQBQHTLRBHF-UHFFFAOYSA-N 1 1 250.411 3.492 20 30 CGEDMO Cc1cc(C#N)cc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)n1 ZINC000376401285 379549928 /nfs/dbraw/zinc/54/99/28/379549928.db2.gz AAPDNMJVJBXLKP-FUHWJXTLSA-N 1 1 292.386 3.119 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCCC2(CCOCC2)C1 ZINC000375846137 379514833 /nfs/dbraw/zinc/51/48/33/379514833.db2.gz DAVYCLLBCTUNHN-UHFFFAOYSA-N 1 1 264.413 3.209 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639790714 379587202 /nfs/dbraw/zinc/58/72/02/379587202.db2.gz DWVFAINOXODAEQ-GDBMZVCRSA-N 1 1 279.387 3.221 20 30 CGEDMO C#CC[N@@H+](CC)[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000266899907 190288821 /nfs/dbraw/zinc/28/88/21/190288821.db2.gz GBFCFTMPCLBVID-CYBMUJFWSA-N 1 1 254.333 3.358 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000266899907 190288822 /nfs/dbraw/zinc/28/88/22/190288822.db2.gz GBFCFTMPCLBVID-CYBMUJFWSA-N 1 1 254.333 3.358 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@@H](n2ccnn2)CC1 ZINC000639818250 379598776 /nfs/dbraw/zinc/59/87/76/379598776.db2.gz NXSRKZZDZGMITB-OAHLLOKOSA-N 1 1 262.401 3.052 20 30 CGEDMO C[N@H+](CCCC(=O)c1ccccc1)[C@H]1CCC[C@H]1C#N ZINC000640029589 379694167 /nfs/dbraw/zinc/69/41/67/379694167.db2.gz JVFUDZLWGSYFAL-HOTGVXAUSA-N 1 1 270.376 3.274 20 30 CGEDMO C[N@@H+](CCCC(=O)c1ccccc1)[C@H]1CCC[C@H]1C#N ZINC000640029589 379694177 /nfs/dbraw/zinc/69/41/77/379694177.db2.gz JVFUDZLWGSYFAL-HOTGVXAUSA-N 1 1 270.376 3.274 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@H](c2ccccc2C)C1 ZINC000351563317 379726697 /nfs/dbraw/zinc/72/66/97/379726697.db2.gz NDHMKEUGQJLQDT-HOTGVXAUSA-N 1 1 259.393 3.111 20 30 CGEDMO C=C(C)CC[N@@H+](C)Cc1nc([C@@H](C)SCC)no1 ZINC000351887306 379747899 /nfs/dbraw/zinc/74/78/99/379747899.db2.gz FEENPBZGRMXXPC-LLVKDONJSA-N 1 1 269.414 3.282 20 30 CGEDMO C=C(C)CC[N@H+](C)Cc1nc([C@@H](C)SCC)no1 ZINC000351887306 379747901 /nfs/dbraw/zinc/74/79/01/379747901.db2.gz FEENPBZGRMXXPC-LLVKDONJSA-N 1 1 269.414 3.282 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCCOC1 ZINC000352194487 379754088 /nfs/dbraw/zinc/75/40/88/379754088.db2.gz KDZGIJMEFPTRKX-OAHLLOKOSA-N 1 1 297.320 3.168 20 30 CGEDMO COc1cc(C[N@H+]2C[C@@H](C)CC2(C)C)ccc1C#N ZINC000380387152 379863617 /nfs/dbraw/zinc/86/36/17/379863617.db2.gz SPDRDHBFMUAALJ-LBPRGKRZSA-N 1 1 258.365 3.187 20 30 CGEDMO N#CC1(F)CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000352464468 379828112 /nfs/dbraw/zinc/82/81/12/379828112.db2.gz UJJVTOBXMHONHV-UHFFFAOYSA-N 1 1 282.746 3.046 20 30 CGEDMO N#Cc1ccccc1OCC[N@H+]1CCCc2ccccc2C1 ZINC000387673604 379877946 /nfs/dbraw/zinc/87/79/46/379877946.db2.gz DQFQAGAHFUYZIR-UHFFFAOYSA-N 1 1 292.382 3.385 20 30 CGEDMO CC1(C)CC[N@@H+](Cc2ccc(C#N)c(F)c2)CCS1 ZINC000404032010 379977708 /nfs/dbraw/zinc/97/77/08/379977708.db2.gz XKCRBCPYYKSXLL-UHFFFAOYSA-N 1 1 278.396 3.415 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](COC(F)F)C1 ZINC000353023952 380079669 /nfs/dbraw/zinc/07/96/69/380079669.db2.gz GMTMITCEHXAWNQ-YPMHNXCESA-N 1 1 280.318 3.180 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+](CCC(C)C)C2CCCC2)C1=O ZINC000410335851 380087006 /nfs/dbraw/zinc/08/70/06/380087006.db2.gz APKJFKJQESQPAR-INIZCTEOSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1ccccc1C(=O)OC ZINC000352929319 380043402 /nfs/dbraw/zinc/04/34/02/380043402.db2.gz GDJHPLXTVORQHX-UHFFFAOYSA-N 1 1 299.370 3.297 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000411313474 380139108 /nfs/dbraw/zinc/13/91/08/380139108.db2.gz XTPNYALVIGKUQV-WMZOPIPTSA-N 1 1 286.419 3.402 20 30 CGEDMO N#CC1(CC[N@H+](CCCCO)C2CC2)CCCCC1 ZINC000411281909 380139683 /nfs/dbraw/zinc/13/96/83/380139683.db2.gz HWNBHSTVMWJTMW-UHFFFAOYSA-N 1 1 264.413 3.087 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000411406118 380144191 /nfs/dbraw/zinc/14/41/91/380144191.db2.gz BKTHPXIERGBAJS-WFASDCNBSA-N 1 1 278.783 3.485 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H](C)COC ZINC000411138607 380129594 /nfs/dbraw/zinc/12/95/94/380129594.db2.gz RYBXPRULIVCDHF-SNVBAGLBSA-N 1 1 259.802 3.424 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)NCCC(C)C ZINC000411131904 380130352 /nfs/dbraw/zinc/13/03/52/380130352.db2.gz FXYFREHMMQPPHV-AWEZNQCLSA-N 1 1 294.464 3.287 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)NCCC(C)C ZINC000411131904 380130357 /nfs/dbraw/zinc/13/03/57/380130357.db2.gz FXYFREHMMQPPHV-AWEZNQCLSA-N 1 1 294.464 3.287 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)N[C@@H](C)CC ZINC000411142423 380131475 /nfs/dbraw/zinc/13/14/75/380131475.db2.gz WPFMDXNANVZWET-STQMWFEESA-N 1 1 280.437 3.039 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)N[C@@H](C)CC ZINC000411142423 380131482 /nfs/dbraw/zinc/13/14/82/380131482.db2.gz WPFMDXNANVZWET-STQMWFEESA-N 1 1 280.437 3.039 20 30 CGEDMO CC[C@@H]1CN([C@H](C)CCC#N)CC[N@H+]1Cc1ccccc1 ZINC000411522361 380148864 /nfs/dbraw/zinc/14/88/64/380148864.db2.gz ALGHUKKJVRDLPH-SJLPKXTDSA-N 1 1 285.435 3.275 20 30 CGEDMO CC[C@@H]1C[N@@H+]([C@H](C)CCC#N)CCN1Cc1ccccc1 ZINC000411522361 380148871 /nfs/dbraw/zinc/14/88/71/380148871.db2.gz ALGHUKKJVRDLPH-SJLPKXTDSA-N 1 1 285.435 3.275 20 30 CGEDMO CC[C@@H]1C[N@H+]([C@H](C)CCC#N)CCN1Cc1ccccc1 ZINC000411522361 380148876 /nfs/dbraw/zinc/14/88/76/380148876.db2.gz ALGHUKKJVRDLPH-SJLPKXTDSA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@H](CCC#N)[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000411141475 380132080 /nfs/dbraw/zinc/13/20/80/380132080.db2.gz ZARBORVHQSWUBA-CYBMUJFWSA-N 1 1 256.349 3.174 20 30 CGEDMO C[C@H](CN[C@H]1CCc2ccc(C#N)cc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000353386192 380204581 /nfs/dbraw/zinc/20/45/81/380204581.db2.gz NAHGCFUTJFFMCQ-CLCXKQKWSA-N 1 1 297.446 3.256 20 30 CGEDMO C[C@H](CN[C@H]1CCc2ccc(C#N)cc21)[N@H+]1CCC[C@@H](C)C1 ZINC000353386192 380204582 /nfs/dbraw/zinc/20/45/82/380204582.db2.gz NAHGCFUTJFFMCQ-CLCXKQKWSA-N 1 1 297.446 3.256 20 30 CGEDMO C[C@H](C(=O)NC(C)(C)C)[N@H+](C)CCC1(C#N)CCCCC1 ZINC000411567383 380151685 /nfs/dbraw/zinc/15/16/85/380151685.db2.gz YPWISAADZRTJJZ-CQSZACIVSA-N 1 1 293.455 3.086 20 30 CGEDMO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000411567383 380151687 /nfs/dbraw/zinc/15/16/87/380151687.db2.gz YPWISAADZRTJJZ-CQSZACIVSA-N 1 1 293.455 3.086 20 30 CGEDMO C[C@@H]1CCc2ccccc2[C@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000334686447 206911595 /nfs/dbraw/zinc/91/15/95/206911595.db2.gz OZOLQSSDSNTLLX-BZNIZROVSA-N 1 1 283.400 3.428 20 30 CGEDMO Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000353927873 380239411 /nfs/dbraw/zinc/23/94/11/380239411.db2.gz WRBYJXHUFVVXOF-AEFFLSMTSA-N 1 1 294.402 3.298 20 30 CGEDMO Cc1n[nH]c(C)c1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000353927873 380239412 /nfs/dbraw/zinc/23/94/12/380239412.db2.gz WRBYJXHUFVVXOF-AEFFLSMTSA-N 1 1 294.402 3.298 20 30 CGEDMO COCCCOc1cccc(C[N@H+](C)CC(C)(C)C#N)c1 ZINC000354017355 380281056 /nfs/dbraw/zinc/28/10/56/380281056.db2.gz JMCGRVANSWODHC-UHFFFAOYSA-N 1 1 290.407 3.083 20 30 CGEDMO COCCCOc1cccc(C[N@@H+](C)CC(C)(C)C#N)c1 ZINC000354017355 380281059 /nfs/dbraw/zinc/28/10/59/380281059.db2.gz JMCGRVANSWODHC-UHFFFAOYSA-N 1 1 290.407 3.083 20 30 CGEDMO C[N@H+](Cc1ccc2ncccc2c1)CC(C)(C)C#N ZINC000354019509 380281975 /nfs/dbraw/zinc/28/19/75/380281975.db2.gz ZCZSKOCHSOLAPP-UHFFFAOYSA-N 1 1 253.349 3.216 20 30 CGEDMO C[N@@H+](Cc1ccc2ncccc2c1)CC(C)(C)C#N ZINC000354019509 380281979 /nfs/dbraw/zinc/28/19/79/380281979.db2.gz ZCZSKOCHSOLAPP-UHFFFAOYSA-N 1 1 253.349 3.216 20 30 CGEDMO CCOc1ccc(C[N@H+](C)CC(C)(C)C#N)cc1OC ZINC000354040213 380295035 /nfs/dbraw/zinc/29/50/35/380295035.db2.gz OAOCLIKWCALTCY-UHFFFAOYSA-N 1 1 276.380 3.075 20 30 CGEDMO CCOc1ccc(C[N@@H+](C)CC(C)(C)C#N)cc1OC ZINC000354040213 380295040 /nfs/dbraw/zinc/29/50/40/380295040.db2.gz OAOCLIKWCALTCY-UHFFFAOYSA-N 1 1 276.380 3.075 20 30 CGEDMO CC[N@H+]1CC[C@H](N(C)c2cccc(F)c2C#N)C[C@@H]1C ZINC000354351849 380409389 /nfs/dbraw/zinc/40/93/89/380409389.db2.gz FTNIUAPBTHMYPW-STQMWFEESA-N 1 1 275.371 3.006 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000644595053 380456447 /nfs/dbraw/zinc/45/64/47/380456447.db2.gz IUEULYQRGYTRQT-UHFFFAOYSA-N 1 1 280.456 3.168 20 30 CGEDMO N#CC1(C[N@@H+]2CCC[C@@H](Oc3ccccc3)C2)CCC1 ZINC000419313079 380799197 /nfs/dbraw/zinc/79/91/97/380799197.db2.gz KMVSFBPLWPMDEB-MRXNPFEDSA-N 1 1 270.376 3.224 20 30 CGEDMO N#CC1(C[N@H+]2CCC[C@@H](Oc3ccccc3)C2)CCC1 ZINC000419313079 380799204 /nfs/dbraw/zinc/79/92/04/380799204.db2.gz KMVSFBPLWPMDEB-MRXNPFEDSA-N 1 1 270.376 3.224 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](O)[C@H]1CCc1ccccc1 ZINC000646072008 380822109 /nfs/dbraw/zinc/82/21/09/380822109.db2.gz NOCKHFDMMUTDKA-IAGOWNOFSA-N 1 1 259.393 3.021 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](O)[C@@H]1CCc1ccccc1 ZINC000646072009 380822844 /nfs/dbraw/zinc/82/28/44/380822844.db2.gz NOCKHFDMMUTDKA-IRXDYDNUSA-N 1 1 259.393 3.021 20 30 CGEDMO C=CCN1CC[C@@H]([N@@H+](C(C)C)[C@@H](C)c2ccsc2)C1=O ZINC000421001017 380867688 /nfs/dbraw/zinc/86/76/88/380867688.db2.gz FEQWJOCEOQPMLY-DZGCQCFKSA-N 1 1 292.448 3.306 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](c3ccccc3)C2(C)C)C1=O ZINC000421019054 380871534 /nfs/dbraw/zinc/87/15/34/380871534.db2.gz LVHUDAVRAQHMDU-IRXDYDNUSA-N 1 1 298.430 3.041 20 30 CGEDMO CC[C@@H]1C[NH+](Cc2cc(C#N)cs2)C[C@@H](CC)O1 ZINC000421395125 380941670 /nfs/dbraw/zinc/94/16/70/380941670.db2.gz VBHKKVWMISXUGA-CHWSQXEVSA-N 1 1 264.394 3.009 20 30 CGEDMO C=C[C@@H](C)[NH2+][C@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000358306301 381304063 /nfs/dbraw/zinc/30/40/63/381304063.db2.gz ULDLUCURYKGQFE-CHWSQXEVSA-N 1 1 270.380 3.109 20 30 CGEDMO CC(C)[C@H]1[N@@H+](Cc2ccc(C#N)cc2)CC12CCOCC2 ZINC000334823344 207140682 /nfs/dbraw/zinc/14/06/82/207140682.db2.gz CBWUJYCERZODQT-QGZVFWFLSA-N 1 1 284.403 3.195 20 30 CGEDMO C=C(CNC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000360214541 381483124 /nfs/dbraw/zinc/48/31/24/381483124.db2.gz WMDNZMBRBUZTLN-XHSDSOJGSA-N 1 1 286.419 3.077 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cncc(C(F)(F)F)c1 ZINC000361287094 381677822 /nfs/dbraw/zinc/67/78/22/381677822.db2.gz JITBHRCHIKSQEC-UHFFFAOYSA-N 1 1 258.287 3.498 20 30 CGEDMO CC[N@@H+](CCOc1ccc(C#N)cc1OC)CC(C)(C)C ZINC000361518177 381784243 /nfs/dbraw/zinc/78/42/43/381784243.db2.gz GJCLKKYXGNAVAM-UHFFFAOYSA-N 1 1 290.407 3.314 20 30 CGEDMO Cc1cc([C@@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)nn1C ZINC000334907948 207273444 /nfs/dbraw/zinc/27/34/44/207273444.db2.gz VOSFOHNOIBANOK-DYVFJYSZSA-N 1 1 294.402 3.328 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)CCOc1ccccc1F ZINC000362185566 381902807 /nfs/dbraw/zinc/90/28/07/381902807.db2.gz WZOYUMBNPQVEDM-UHFFFAOYSA-N 1 1 278.371 3.466 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)CCOc1ccccc1F ZINC000362185566 381902814 /nfs/dbraw/zinc/90/28/14/381902814.db2.gz WZOYUMBNPQVEDM-UHFFFAOYSA-N 1 1 278.371 3.466 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@H+](CC)C2CCC2)c1C ZINC000362232637 381912723 /nfs/dbraw/zinc/91/27/23/381912723.db2.gz IKBSQCLMQVLWGK-UHFFFAOYSA-N 1 1 274.408 3.348 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CCCC2(C)C)c1C ZINC000362231661 381913299 /nfs/dbraw/zinc/91/32/99/381913299.db2.gz DOTLKCKHCWLMFE-UHFFFAOYSA-N 1 1 274.408 3.348 20 30 CGEDMO C[C@H](N[C@@H]1CC[N@H+](C2CCCC2)C1)c1cccc(C#N)c1 ZINC000362237399 381915763 /nfs/dbraw/zinc/91/57/63/381915763.db2.gz OKLGMOJURQXCBF-WMLDXEAASA-N 1 1 283.419 3.226 20 30 CGEDMO C[C@H]([NH2+][C@@H]1CCN(C2CCCC2)C1)c1cccc(C#N)c1 ZINC000362237399 381915771 /nfs/dbraw/zinc/91/57/71/381915771.db2.gz OKLGMOJURQXCBF-WMLDXEAASA-N 1 1 283.419 3.226 20 30 CGEDMO C=C[C@H](C)NC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000362705648 382102766 /nfs/dbraw/zinc/10/27/66/382102766.db2.gz XLSGFCDYFMVBMY-STQMWFEESA-N 1 1 298.390 3.115 20 30 CGEDMO C=C(Cl)C[NH+]1CCC([C@@H]2CCCCCN2C(C)=O)CC1 ZINC000366536980 382312004 /nfs/dbraw/zinc/31/20/04/382312004.db2.gz UUCXNJUDCJRBQF-INIZCTEOSA-N 1 1 298.858 3.242 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000366557235 382313676 /nfs/dbraw/zinc/31/36/76/382313676.db2.gz PDULXDWAXXVNAN-HNNXBMFYSA-N 1 1 264.413 3.065 20 30 CGEDMO C#CCCCCC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000366726205 382316497 /nfs/dbraw/zinc/31/64/97/382316497.db2.gz WFRJKHIAENFZJD-KRWDZBQOSA-N 1 1 290.451 3.093 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c(F)c1 ZINC000335250099 208026375 /nfs/dbraw/zinc/02/63/75/208026375.db2.gz SQHSMCZWZLQPCX-SJLPKXTDSA-N 1 1 296.345 3.005 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c(F)c1 ZINC000335250099 208026378 /nfs/dbraw/zinc/02/63/78/208026378.db2.gz SQHSMCZWZLQPCX-SJLPKXTDSA-N 1 1 296.345 3.005 20 30 CGEDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(C#N)cc2F)C[C@@H]1C ZINC000353767001 220315133 /nfs/dbraw/zinc/31/51/33/220315133.db2.gz JVBYWLAIPVJTRG-BBRMVZONSA-N 1 1 289.398 3.002 20 30 CGEDMO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2)C1 ZINC000281167117 195132534 /nfs/dbraw/zinc/13/25/34/195132534.db2.gz GQWFZAWRDWXOCG-FCLVOEFKSA-N 1 1 298.430 3.320 20 30 CGEDMO C[C@@H](C1CC1)n1cc(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)cn1 ZINC000330217662 533371545 /nfs/dbraw/zinc/37/15/45/533371545.db2.gz IQGAQRQOMOSRBF-XHDPSFHLSA-N 1 1 288.395 3.069 20 30 CGEDMO C[C@@H](C1CC1)n1cc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)cn1 ZINC000330217662 533371552 /nfs/dbraw/zinc/37/15/52/533371552.db2.gz IQGAQRQOMOSRBF-XHDPSFHLSA-N 1 1 288.395 3.069 20 30 CGEDMO COc1ccc(C[N@H+]2CCC=C(c3ccco3)C2)cc1C#N ZINC000367155567 533554778 /nfs/dbraw/zinc/55/47/78/533554778.db2.gz FJFXRQOIVQSJSR-UHFFFAOYSA-N 1 1 294.354 3.449 20 30 CGEDMO COc1cc(C)c(C[N@@H+](C)Cc2ccc(C#N)cc2)c(C)n1 ZINC000359220653 533569646 /nfs/dbraw/zinc/56/96/46/533569646.db2.gz FWRXSBQTWTXARK-UHFFFAOYSA-N 1 1 295.386 3.211 20 30 CGEDMO CC[N@@H+](Cc1cc(C#N)n(C)c1)Cc1ccccc1C ZINC000191231214 130206736 /nfs/dbraw/zinc/20/67/36/130206736.db2.gz VXNTZTGPERZVRB-UHFFFAOYSA-N 1 1 267.376 3.227 20 30 CGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@@H](C)CC1 ZINC000063309244 392137093 /nfs/dbraw/zinc/13/70/93/392137093.db2.gz ABLJHPBSGJJVHH-ZIAGYGMSSA-N 1 1 285.391 3.007 20 30 CGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCC[C@H](C)CC1 ZINC000068838077 392168885 /nfs/dbraw/zinc/16/88/85/392168885.db2.gz ABLJHPBSGJJVHH-KBPBESRZSA-N 1 1 285.391 3.007 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC(C)(C)C2)cc1 ZINC000093339904 392236900 /nfs/dbraw/zinc/23/69/00/392236900.db2.gz WQBDHLMUNLYIDI-UHFFFAOYSA-N 1 1 271.408 3.268 20 30 CGEDMO C=CCN(CC=C)[C@H](C[NH2+][C@H](C)c1nccs1)C(C)C ZINC000093396944 392236954 /nfs/dbraw/zinc/23/69/54/392236954.db2.gz ARDLTAKDFIYORM-HUUCEWRRSA-N 1 1 293.480 3.492 20 30 CGEDMO C=CCOc1ccc(C[NH2+][C@@H](C)c2cc(C)on2)cc1 ZINC000282788922 392295754 /nfs/dbraw/zinc/29/57/54/392295754.db2.gz WJOFSUVNJYBWEX-ZDUSSCGKSA-N 1 1 272.348 3.399 20 30 CGEDMO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2ccc(C#N)c(F)c2)C1(C)C ZINC000361830014 392335291 /nfs/dbraw/zinc/33/52/91/392335291.db2.gz POGNKAVTMATEQR-DOTOQJQBSA-N 1 1 290.382 3.333 20 30 CGEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)c(F)c2)C1(C)C ZINC000361839309 392341077 /nfs/dbraw/zinc/34/10/77/392341077.db2.gz HVUAXZQHJKEVCZ-CVEARBPZSA-N 1 1 290.382 3.333 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1OCCc2ccccc21 ZINC000263653713 131302193 /nfs/dbraw/zinc/30/21/93/131302193.db2.gz CEFANYUJQMXEGY-IBGZPJMESA-N 1 1 292.382 3.304 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1csc(Br)c1 ZINC000124489654 392433747 /nfs/dbraw/zinc/43/37/47/392433747.db2.gz KHVOHRZWGYEOAV-UHFFFAOYSA-N 1 1 266.591 3.353 20 30 CGEDMO C#CCOc1ccc(C[N@@H+](CC)Cc2ccncc2)cc1 ZINC000289840356 392435362 /nfs/dbraw/zinc/43/53/62/392435362.db2.gz PGNRGUFQKDZTHY-UHFFFAOYSA-N 1 1 280.371 3.116 20 30 CGEDMO C=CCOc1cccc(C[N@H+](C)[C@@H]2CCN(C)C[C@H]2C)c1 ZINC000290579169 392450882 /nfs/dbraw/zinc/45/08/82/392450882.db2.gz UKMCVGHHTPIZJF-CRAIPNDOSA-N 1 1 288.435 3.023 20 30 CGEDMO C=CCOc1cccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000290579169 392450908 /nfs/dbraw/zinc/45/09/08/392450908.db2.gz UKMCVGHHTPIZJF-CRAIPNDOSA-N 1 1 288.435 3.023 20 30 CGEDMO C=CCOc1cccc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000290579169 392450912 /nfs/dbraw/zinc/45/09/12/392450912.db2.gz UKMCVGHHTPIZJF-CRAIPNDOSA-N 1 1 288.435 3.023 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1F ZINC000121086165 392407236 /nfs/dbraw/zinc/40/72/36/392407236.db2.gz BGSWKMPGDPVCCZ-UHFFFAOYSA-N 1 1 284.762 3.316 20 30 CGEDMO CC(C)[C@@H](CO)[N@@H+](CCCCC#N)Cc1ccccc1 ZINC000121106270 392408366 /nfs/dbraw/zinc/40/83/66/392408366.db2.gz MGCWJXIVXWOJFR-QGZVFWFLSA-N 1 1 274.408 3.199 20 30 CGEDMO C=CC[N@@H+](C)Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000154766216 392537192 /nfs/dbraw/zinc/53/71/92/392537192.db2.gz RYXBOHCZZCLHSK-UHFFFAOYSA-N 1 1 283.297 3.210 20 30 CGEDMO C=CC[N@H+](C)Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000154766216 392537196 /nfs/dbraw/zinc/53/71/96/392537196.db2.gz RYXBOHCZZCLHSK-UHFFFAOYSA-N 1 1 283.297 3.210 20 30 CGEDMO CC#CCC[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000155073298 392538810 /nfs/dbraw/zinc/53/88/10/392538810.db2.gz FRZXJSWPYLTUFN-AWEZNQCLSA-N 1 1 263.406 3.143 20 30 CGEDMO C=CCCCCC[N@H+](C)CC[S@](=O)c1ccccc1 ZINC000150896931 392483489 /nfs/dbraw/zinc/48/34/89/392483489.db2.gz AEBDZFUBUWBGGS-LJQANCHMSA-N 1 1 279.449 3.472 20 30 CGEDMO C=CCCC[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000156463244 392547557 /nfs/dbraw/zinc/54/75/57/392547557.db2.gz CACPHMHQWIPYCN-UHFFFAOYSA-N 1 1 258.365 3.225 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000374406761 392678344 /nfs/dbraw/zinc/67/83/44/392678344.db2.gz QNXJVUDWQROTRO-NVXWUHKLSA-N 1 1 298.430 3.346 20 30 CGEDMO CCCCCCC[N@H+]1CCOC[C@H]1[C@@H]1CCCC1=O ZINC000372610092 392623190 /nfs/dbraw/zinc/62/31/90/392623190.db2.gz BEOYGOMWNBSQNM-GJZGRUSLSA-N 1 1 267.413 3.027 20 30 CGEDMO Cc1nc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cs1 ZINC000334611932 392742556 /nfs/dbraw/zinc/74/25/56/392742556.db2.gz VRWQKINSGVGHKU-MRXNPFEDSA-N 1 1 283.400 3.490 20 30 CGEDMO C=CCOc1ccccc1C[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000183276137 392753512 /nfs/dbraw/zinc/75/35/12/392753512.db2.gz VGUKVAQAQMJNOV-QGZVFWFLSA-N 1 1 297.402 3.226 20 30 CGEDMO C=CC[N@H+](CCCn1ccnc1)Cc1ccccc1F ZINC000183165764 392753792 /nfs/dbraw/zinc/75/37/92/392753792.db2.gz DPEXJOPFSZLFLY-UHFFFAOYSA-N 1 1 273.355 3.101 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@@H](C)c1ccncc1 ZINC000186314811 392783103 /nfs/dbraw/zinc/78/31/03/392783103.db2.gz DDHVMQZAWFTDLV-AWEZNQCLSA-N 1 1 265.360 3.455 20 30 CGEDMO CCOc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C#N)o1)CCO2 ZINC000187548259 392790076 /nfs/dbraw/zinc/79/00/76/392790076.db2.gz YNQKIRAHYNJMSE-MRXNPFEDSA-N 1 1 298.342 3.163 20 30 CGEDMO C[C@H](C#N)C[N@H+](Cc1ccc2c(c1)CCC2)C1CC1 ZINC000338377383 392912418 /nfs/dbraw/zinc/91/24/18/392912418.db2.gz HZMAYXCDFPORCF-CYBMUJFWSA-N 1 1 254.377 3.299 20 30 CGEDMO C[C@H](C#N)C[N@@H+](Cc1ccc2c(c1)CCC2)C1CC1 ZINC000338377383 392912421 /nfs/dbraw/zinc/91/24/21/392912421.db2.gz HZMAYXCDFPORCF-CYBMUJFWSA-N 1 1 254.377 3.299 20 30 CGEDMO CCOc1ccc(OCC[N@H+](C[C@H](C)C#N)C2CC2)cc1 ZINC000338388199 392914770 /nfs/dbraw/zinc/91/47/70/392914770.db2.gz VMKQRPSZFYGMOF-CQSZACIVSA-N 1 1 288.391 3.088 20 30 CGEDMO CCOc1ccc(OCC[N@@H+](C[C@H](C)C#N)C2CC2)cc1 ZINC000338388199 392914773 /nfs/dbraw/zinc/91/47/73/392914773.db2.gz VMKQRPSZFYGMOF-CQSZACIVSA-N 1 1 288.391 3.088 20 30 CGEDMO Cc1cc(F)cc2c1C[N@H+]([C@@H]1CC[C@@H](C#N)C1)CC2 ZINC000336575816 392862709 /nfs/dbraw/zinc/86/27/09/392862709.db2.gz XFIRYLIJAXNENL-IUODEOHRSA-N 1 1 258.340 3.185 20 30 CGEDMO CCC(CC)C[N@H+](CCC#N)CCO[C@@H]1CCCCO1 ZINC000193061943 392868758 /nfs/dbraw/zinc/86/87/58/392868758.db2.gz SOMBGXNMYYXQRY-MRXNPFEDSA-N 1 1 282.428 3.181 20 30 CGEDMO C=CCC[N@H+](Cc1ccc(OC)cc1)[C@H](CO)C(C)C ZINC000338571423 392921331 /nfs/dbraw/zinc/92/13/31/392921331.db2.gz WOHMNTYCKBZGSW-QGZVFWFLSA-N 1 1 277.408 3.090 20 30 CGEDMO N#CCCOCC[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000338958372 392937507 /nfs/dbraw/zinc/93/75/07/392937507.db2.gz QSBKCJCXVPSNCY-QGZVFWFLSA-N 1 1 272.392 3.186 20 30 CGEDMO CC(C)[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])CC1CCC1 ZINC000459420814 392943855 /nfs/dbraw/zinc/94/38/55/392943855.db2.gz GKIUUBJRCJBULC-UHFFFAOYSA-N 1 1 287.363 3.477 20 30 CGEDMO CC(C)[C@@H]1CCC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459296881 392940301 /nfs/dbraw/zinc/94/03/01/392940301.db2.gz HJVRLHJOHIOOHR-AWEZNQCLSA-N 1 1 273.336 3.087 20 30 CGEDMO C=CCOCC[N@@H+]1CC=C(c2ccc(OCC)cc2)CC1 ZINC000339061871 392943262 /nfs/dbraw/zinc/94/32/62/392943262.db2.gz RIHWISVVAGMQCN-UHFFFAOYSA-N 1 1 287.403 3.377 20 30 CGEDMO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@@H+]1CCOCCC#N ZINC000339062226 392943494 /nfs/dbraw/zinc/94/34/94/392943494.db2.gz ZZSSSURMCBETLX-QWHCGFSZSA-N 1 1 276.355 3.064 20 30 CGEDMO CC(C)O[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000404106368 392961960 /nfs/dbraw/zinc/96/19/60/392961960.db2.gz YKQNUQHNVAPCAW-HNNXBMFYSA-N 1 1 276.355 3.087 20 30 CGEDMO C[C@@H]1C[C@H](N2CCCC2)C[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411720847 392986925 /nfs/dbraw/zinc/98/69/25/392986925.db2.gz QVHFQGNVYIGSOJ-SJORKVTESA-N 1 1 289.467 3.409 20 30 CGEDMO C[C@@H]1C[C@H](N2CCCC2)C[N@H+]1CCC1(C#N)CCCCC1 ZINC000411720847 392986927 /nfs/dbraw/zinc/98/69/27/392986927.db2.gz QVHFQGNVYIGSOJ-SJORKVTESA-N 1 1 289.467 3.409 20 30 CGEDMO N#Cc1ccccc1OCC[N@H+]1CCC[C@H]1c1ccccn1 ZINC000530962338 392988115 /nfs/dbraw/zinc/98/81/15/392988115.db2.gz OUMOMUSEGDDMGN-KRWDZBQOSA-N 1 1 293.370 3.169 20 30 CGEDMO CC1(C)C[N@@H+](CCC2(C#N)CCCCC2)[C@@H]2COC[C@@H]21 ZINC000411879438 392990577 /nfs/dbraw/zinc/99/05/77/392990577.db2.gz RWKBQPXUHZCQFU-LSDHHAIUSA-N 1 1 276.424 3.207 20 30 CGEDMO C[C@@H]([N@@H+](C)Cc1cnc2ccc(C#N)cn12)C(C)(C)C ZINC000534349868 392997919 /nfs/dbraw/zinc/99/79/19/392997919.db2.gz JHHYHFMTHJMSPP-GFCCVEGCSA-N 1 1 270.380 3.072 20 30 CGEDMO COCC1(C#N)CC[NH+](Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000342820151 393009158 /nfs/dbraw/zinc/00/91/58/393009158.db2.gz GYBGTVBUNXRSMR-DZGCQCFKSA-N 1 1 288.391 3.155 20 30 CGEDMO C[C@@H]1C[C@H](N(C)CC2(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000343314850 393024197 /nfs/dbraw/zinc/02/41/97/393024197.db2.gz OOBNGVGYBVCLBL-SJLPKXTDSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@H]1C[C@H](N(C)CC2(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000343314849 393024269 /nfs/dbraw/zinc/02/42/69/393024269.db2.gz OOBNGVGYBVCLBL-FUHWJXTLSA-N 1 1 297.446 3.275 20 30 CGEDMO N#CC1(C[N@H+](CCCO)[C@@H]2CCCc3ccccc32)CC1 ZINC000343314022 393024708 /nfs/dbraw/zinc/02/47/08/393024708.db2.gz LXCGSTRCHRXCJS-QGZVFWFLSA-N 1 1 284.403 3.052 20 30 CGEDMO C[C@@H](CO)[N@@H+](Cc1ccc(Cl)cc1C#N)C1CCCC1 ZINC000347239554 393101339 /nfs/dbraw/zinc/10/13/39/393101339.db2.gz VVESZKVGHYTCLG-LBPRGKRZSA-N 1 1 292.810 3.337 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000346243498 393080626 /nfs/dbraw/zinc/08/06/26/393080626.db2.gz STHHNRFENYTMAU-JSGCOSHPSA-N 1 1 275.396 3.481 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccncc1C ZINC000648581342 393113056 /nfs/dbraw/zinc/11/30/56/393113056.db2.gz PSWABTDYFUGWGS-UHFFFAOYSA-N 1 1 286.375 3.054 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccncc1C ZINC000648581342 393113060 /nfs/dbraw/zinc/11/30/60/393113060.db2.gz PSWABTDYFUGWGS-UHFFFAOYSA-N 1 1 286.375 3.054 20 30 CGEDMO C[N@@H+](CCCC#N)CCc1cccc(Br)c1 ZINC000258917705 393137970 /nfs/dbraw/zinc/13/79/70/393137970.db2.gz NEUOOZQCAJWGJU-UHFFFAOYSA-N 1 1 281.197 3.227 20 30 CGEDMO C[C@@H](C#N)C[N@H+](C[C@@H](C)CC1CCOCC1)C1CC1 ZINC000349961042 393155922 /nfs/dbraw/zinc/15/59/22/393155922.db2.gz BAZQPPDUZRRWKS-KBPBESRZSA-N 1 1 264.413 3.063 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](C)CC(C)(C)C#N)c1 ZINC000354017238 393237707 /nfs/dbraw/zinc/23/77/07/393237707.db2.gz IFBMQSVYCLUNOJ-UHFFFAOYSA-N 1 1 258.365 3.233 20 30 CGEDMO C=CCOc1cccc(C[N@H+](C)CC(C)(C)C#N)c1 ZINC000354017238 393237712 /nfs/dbraw/zinc/23/77/12/393237712.db2.gz IFBMQSVYCLUNOJ-UHFFFAOYSA-N 1 1 258.365 3.233 20 30 CGEDMO CC[C@@H](CC#N)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000568996595 393194864 /nfs/dbraw/zinc/19/48/64/393194864.db2.gz DEBVVHOQRJPPPG-NEPJUHHUSA-N 1 1 261.325 3.246 20 30 CGEDMO C=C(C)CC[NH+]1CCN(C2CCC(C)CC2)CC1 ZINC000352002450 393198479 /nfs/dbraw/zinc/19/84/79/393198479.db2.gz HGMHXJWUHLCQNH-UHFFFAOYSA-N 1 1 250.430 3.149 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000352415583 393201941 /nfs/dbraw/zinc/20/19/41/393201941.db2.gz YBXLWAADCBWSID-QGZVFWFLSA-N 1 1 259.393 3.022 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@](C)(OC)C2)cc1 ZINC000355212873 393262760 /nfs/dbraw/zinc/26/27/60/393262760.db2.gz DYDDSAITWWKEKT-QGZVFWFLSA-N 1 1 275.392 3.252 20 30 CGEDMO COCCCC[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000419387227 393369196 /nfs/dbraw/zinc/36/91/96/393369196.db2.gz NBZLIMLBBJMCDP-UHFFFAOYSA-N 1 1 266.772 3.070 20 30 CGEDMO Cc1ccccc1C[C@H](C)[N@H+](C)Cc1nc(C#N)cs1 ZINC000356433888 393443349 /nfs/dbraw/zinc/44/33/49/393443349.db2.gz VHLMJSXELHIQMC-ZDUSSCGKSA-N 1 1 285.416 3.386 20 30 CGEDMO Cc1ccccc1C[C@H](C)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356433888 393443350 /nfs/dbraw/zinc/44/33/50/393443350.db2.gz VHLMJSXELHIQMC-ZDUSSCGKSA-N 1 1 285.416 3.386 20 30 CGEDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(C#N)c(C)c2)[C@@H](C)C1 ZINC000488119316 393460892 /nfs/dbraw/zinc/46/08/92/393460892.db2.gz SMBYJYUHGYVYNY-MAUKXSAKSA-N 1 1 285.435 3.029 20 30 CGEDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)c(C)c2)[C@@H](C)C1 ZINC000488119316 393460898 /nfs/dbraw/zinc/46/08/98/393460898.db2.gz SMBYJYUHGYVYNY-MAUKXSAKSA-N 1 1 285.435 3.029 20 30 CGEDMO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(C#N)c(C)c2)[C@@H](C)C1 ZINC000488119316 393460902 /nfs/dbraw/zinc/46/09/02/393460902.db2.gz SMBYJYUHGYVYNY-MAUKXSAKSA-N 1 1 285.435 3.029 20 30 CGEDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C#N)c(C)c2)[C@@H](C)C1 ZINC000488119316 393460903 /nfs/dbraw/zinc/46/09/03/393460903.db2.gz SMBYJYUHGYVYNY-MAUKXSAKSA-N 1 1 285.435 3.029 20 30 CGEDMO C=C(C)[C@H](NC[C@H]1CCC[N@H+]1C)c1ccc(F)c(F)c1 ZINC000649587128 393503701 /nfs/dbraw/zinc/50/37/01/393503701.db2.gz BADDEURIOZQRKX-CJNGLKHVSA-N 1 1 280.362 3.266 20 30 CGEDMO Cc1cc(C[N@@H+]2CCC[C@@]2(CO)CC(C)C)ccc1C#N ZINC000488967462 393567818 /nfs/dbraw/zinc/56/78/18/393567818.db2.gz ONDDKMWVNWOVLA-SFHVURJKSA-N 1 1 286.419 3.240 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+]1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC000649746781 393571429 /nfs/dbraw/zinc/57/14/29/393571429.db2.gz IIFJKGXNDMAIHD-LRDDRELGSA-N 1 1 279.811 3.239 20 30 CGEDMO C=CCC[C@@H](C)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000361053205 393657542 /nfs/dbraw/zinc/65/75/42/393657542.db2.gz QEYOWZICFMIALN-RHSMWYFYSA-N 1 1 274.408 3.020 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000491210300 393672243 /nfs/dbraw/zinc/67/22/43/393672243.db2.gz RZQRINSEZVCHRR-UHFFFAOYSA-N 1 1 278.302 3.003 20 30 CGEDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000443311513 393750816 /nfs/dbraw/zinc/75/08/16/393750816.db2.gz LJZYAYPULYUSDV-WQGACYEGSA-N 1 1 292.810 3.193 20 30 CGEDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000443311513 393750818 /nfs/dbraw/zinc/75/08/18/393750818.db2.gz LJZYAYPULYUSDV-WQGACYEGSA-N 1 1 292.810 3.193 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425547077 393697885 /nfs/dbraw/zinc/69/78/85/393697885.db2.gz HRLXDZPBUBMHQL-ZIAGYGMSSA-N 1 1 251.757 3.024 20 30 CGEDMO CC1(C)C[C@H](c2ccccc2)[N@@H+](CCOCCC#N)C1 ZINC000425541865 393697929 /nfs/dbraw/zinc/69/79/29/393697929.db2.gz NNKXWZLFNIFVJD-MRXNPFEDSA-N 1 1 272.392 3.390 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCc2c(nnn2-c2ccccc2)C1 ZINC000433210931 393700715 /nfs/dbraw/zinc/70/07/15/393700715.db2.gz YABCTFITRYYPTE-HNNXBMFYSA-N 1 1 296.418 3.370 20 30 CGEDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc(C#N)c(C(F)(F)F)c1 ZINC000443515553 393760583 /nfs/dbraw/zinc/76/05/83/393760583.db2.gz BOEZPKFSXZIMQU-QWRGUYRKSA-N 1 1 297.324 3.106 20 30 CGEDMO COc1cc(C[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)ccc1C#N ZINC000449534974 393887288 /nfs/dbraw/zinc/88/72/88/393887288.db2.gz HBHJVCPEZFKURJ-SJLPKXTDSA-N 1 1 282.387 3.187 20 30 CGEDMO C=CC[N@H+](Cc1cnc2n1CCC2)Cc1ccccc1 ZINC000667518163 542882708 /nfs/dbraw/zinc/88/27/08/542882708.db2.gz QVKZLADNQOUACA-UHFFFAOYSA-N 1 1 267.376 3.018 20 30 CGEDMO C=CC[N@@H+](Cc1cnc2n1CCC2)Cc1ccccc1 ZINC000667518163 542882712 /nfs/dbraw/zinc/88/27/12/542882712.db2.gz QVKZLADNQOUACA-UHFFFAOYSA-N 1 1 267.376 3.018 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2ncc(CC)s2)C1 ZINC000668493076 543020355 /nfs/dbraw/zinc/02/03/55/543020355.db2.gz JVXLMYGQFJAEMX-GFCCVEGCSA-N 1 1 250.411 3.494 20 30 CGEDMO OCC[C@@H]1CCCCC[N@H+]1CC#Cc1ccccc1Cl ZINC000671247176 543164762 /nfs/dbraw/zinc/16/47/62/543164762.db2.gz YDZNVUMKMUMPKB-INIZCTEOSA-N 1 1 291.822 3.319 20 30 CGEDMO COCC#CC[N@H+]1C[C@@H](C)CC[C@H]1c1ccccc1OC ZINC000671705885 543178846 /nfs/dbraw/zinc/17/88/46/543178846.db2.gz YGVRODLJNJUDHP-RDJZCZTQSA-N 1 1 287.403 3.118 20 30 CGEDMO C=CC1CC[NH+](Cc2cnc(OC)c(Cl)c2)CC1 ZINC000676888048 543422339 /nfs/dbraw/zinc/42/23/39/543422339.db2.gz GEGQQZMQHUYLDR-UHFFFAOYSA-N 1 1 266.772 3.142 20 30 CGEDMO COCC#CC[N@H+]1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000677132718 543435560 /nfs/dbraw/zinc/43/55/60/543435560.db2.gz OIZBNHPJPMFVSX-GOSISDBHSA-N 1 1 287.403 3.262 20 30 CGEDMO COCC#CC[N@H+]1CC[C@H](C)C[C@H]1c1ccc(C)o1 ZINC000677820724 543467769 /nfs/dbraw/zinc/46/77/69/543467769.db2.gz TZBJMGSSFRYVIR-ZFWWWQNUSA-N 1 1 261.365 3.011 20 30 CGEDMO C=CC[N@@H+](C[C@@H](O)COc1cccc2ccccc21)C(C)C ZINC000678889129 543569481 /nfs/dbraw/zinc/56/94/81/543569481.db2.gz HQZRBHWEDGLNDF-QGZVFWFLSA-N 1 1 299.414 3.476 20 30 CGEDMO COCC[N@@H+](CCc1ccccc1)Cc1ccc(C#N)cc1 ZINC000063753416 165030677 /nfs/dbraw/zinc/03/06/77/165030677.db2.gz CWPYGYQAXSWURY-UHFFFAOYSA-N 1 1 294.398 3.249 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCOc2cccc(C#N)c2)CC1 ZINC000063302167 165031576 /nfs/dbraw/zinc/03/15/76/165031576.db2.gz YOBVUUFETFYLSO-CQSZACIVSA-N 1 1 258.365 3.059 20 30 CGEDMO CC1(C)CC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000076013404 165106959 /nfs/dbraw/zinc/10/69/59/165106959.db2.gz ZJSBRSJTQIIEPD-UHFFFAOYSA-N 1 1 253.349 3.043 20 30 CGEDMO CC[C@H]([NH2+]Cc1cccc(C#N)c1)c1nccs1 ZINC000080261287 165152220 /nfs/dbraw/zinc/15/22/20/165152220.db2.gz KKWAUWWRZWTVFG-ZDUSSCGKSA-N 1 1 257.362 3.256 20 30 CGEDMO CC(C)CCO[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000083247057 165173294 /nfs/dbraw/zinc/17/32/94/165173294.db2.gz ZFQDALDPTNVUPE-MRXNPFEDSA-N 1 1 290.382 3.334 20 30 CGEDMO CC(C)CCO[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000083247057 165173297 /nfs/dbraw/zinc/17/32/97/165173297.db2.gz ZFQDALDPTNVUPE-MRXNPFEDSA-N 1 1 290.382 3.334 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CC(=O)c2ccccc2)o1 ZINC000093667816 165335906 /nfs/dbraw/zinc/33/59/06/165335906.db2.gz QKJUSYWPYZXZOL-HNNXBMFYSA-N 1 1 294.354 3.389 20 30 CGEDMO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000093845396 165338512 /nfs/dbraw/zinc/33/85/12/165338512.db2.gz JEMAXVFJBZDQIF-INIZCTEOSA-N 1 1 269.348 3.217 20 30 CGEDMO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)o1 ZINC000093845396 165338515 /nfs/dbraw/zinc/33/85/15/165338515.db2.gz JEMAXVFJBZDQIF-INIZCTEOSA-N 1 1 269.348 3.217 20 30 CGEDMO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000093845397 165339893 /nfs/dbraw/zinc/33/98/93/165339893.db2.gz JEMAXVFJBZDQIF-MRXNPFEDSA-N 1 1 269.348 3.217 20 30 CGEDMO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1ccc(C#N)o1 ZINC000093845397 165339896 /nfs/dbraw/zinc/33/98/96/165339896.db2.gz JEMAXVFJBZDQIF-MRXNPFEDSA-N 1 1 269.348 3.217 20 30 CGEDMO CC[N@@H+](C[C@@H](O)C(C)(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000284257044 196014123 /nfs/dbraw/zinc/01/41/23/196014123.db2.gz LVZFCOBUPIRWIB-XJKSGUPXSA-N 1 1 274.408 3.348 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000078282548 177330145 /nfs/dbraw/zinc/33/01/45/177330145.db2.gz ZZKMNLKWGGIVMW-UHFFFAOYSA-N 1 1 298.333 3.125 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000078282548 177330147 /nfs/dbraw/zinc/33/01/47/177330147.db2.gz ZZKMNLKWGGIVMW-UHFFFAOYSA-N 1 1 298.333 3.125 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)cc1OC ZINC000679359792 543629157 /nfs/dbraw/zinc/62/91/57/543629157.db2.gz ONRCKWOCZLIBMP-UKRRQHHQSA-N 1 1 293.382 3.440 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)cc1OC ZINC000679359792 543629158 /nfs/dbraw/zinc/62/91/58/543629158.db2.gz ONRCKWOCZLIBMP-UKRRQHHQSA-N 1 1 293.382 3.440 20 30 CGEDMO Cc1ccc2ncc(C[N@@H+](C)Cc3cccc(C#N)c3)n2c1 ZINC000130792004 287363456 /nfs/dbraw/zinc/36/34/56/287363456.db2.gz MUPKTLQPQHLGAH-UHFFFAOYSA-N 1 1 290.370 3.146 20 30 CGEDMO Cc1ccc2ncc(C[N@H+](C)Cc3cccc(C#N)c3)n2c1 ZINC000130792004 287363459 /nfs/dbraw/zinc/36/34/59/287363459.db2.gz MUPKTLQPQHLGAH-UHFFFAOYSA-N 1 1 290.370 3.146 20 30 CGEDMO CC(C)C[N@H+]1CCCC[C@@H]1CNCc1cccc(C#N)c1 ZINC000130834073 287364607 /nfs/dbraw/zinc/36/46/07/287364607.db2.gz LZFXIMITZLLERD-GOSISDBHSA-N 1 1 285.435 3.158 20 30 CGEDMO CC(C)CN1CCCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000130834073 287364610 /nfs/dbraw/zinc/36/46/10/287364610.db2.gz LZFXIMITZLLERD-GOSISDBHSA-N 1 1 285.435 3.158 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000682436464 543846121 /nfs/dbraw/zinc/84/61/21/543846121.db2.gz MHAMOVCEIGZERO-GFCCVEGCSA-N 1 1 261.365 3.027 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCC[C@]3(CCCOC3)C2)cc1 ZINC000336498392 227064700 /nfs/dbraw/zinc/06/47/00/227064700.db2.gz AAJWCRXHKIBQAU-SFHVURJKSA-N 1 1 284.403 3.145 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2ccccc2OC(F)F)o1 ZINC000135137903 287461971 /nfs/dbraw/zinc/46/19/71/287461971.db2.gz MXQGSTIWFFSJSK-UHFFFAOYSA-N 1 1 278.258 3.042 20 30 CGEDMO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(C#N)s2)s1 ZINC000135806786 287475952 /nfs/dbraw/zinc/47/59/52/287475952.db2.gz SVQZPJGGJPIAQD-SECBINFHSA-N 1 1 263.391 3.236 20 30 CGEDMO C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)c1ccon1 ZINC000329194196 227348931 /nfs/dbraw/zinc/34/89/31/227348931.db2.gz UNICKBGZCIWUHZ-SMDDNHRTSA-N 1 1 277.368 3.099 20 30 CGEDMO C=CCCCCCNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000654429015 418973060 /nfs/dbraw/zinc/97/30/60/418973060.db2.gz FCCCNKRMASAKKW-MRXNPFEDSA-N 1 1 295.471 3.152 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1F)[C@H]1COC(C)(C)C1 ZINC000659852322 419013980 /nfs/dbraw/zinc/01/39/80/419013980.db2.gz MYJUMDYIFVHZIH-CQSZACIVSA-N 1 1 263.356 3.381 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1F)[C@H]1COC(C)(C)C1 ZINC000659852322 419013982 /nfs/dbraw/zinc/01/39/82/419013982.db2.gz MYJUMDYIFVHZIH-CQSZACIVSA-N 1 1 263.356 3.381 20 30 CGEDMO C=CCCn1cc(C[N@H+](C)C2CCCCCC2)nn1 ZINC000653482414 419034950 /nfs/dbraw/zinc/03/49/50/419034950.db2.gz MMEKPCWNUOSKOE-UHFFFAOYSA-N 1 1 262.401 3.009 20 30 CGEDMO C=CCCn1cc(C[N@H+]2CCC[C@H]2c2cccc(C)c2)nn1 ZINC000653503292 419039255 /nfs/dbraw/zinc/03/92/55/419039255.db2.gz AALSFBSSANUPMH-SFHVURJKSA-N 1 1 296.418 3.500 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CCC[C@H]2c2cccc(C)c2)nn1 ZINC000653503292 419039259 /nfs/dbraw/zinc/03/92/59/419039259.db2.gz AALSFBSSANUPMH-SFHVURJKSA-N 1 1 296.418 3.500 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CC[C@@H](CC(C)(C)C)C2)nn1 ZINC000653754993 419080834 /nfs/dbraw/zinc/08/08/34/419080834.db2.gz DNBGKYOLGWCYQC-AWEZNQCLSA-N 1 1 276.428 3.112 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(OC)c1Cl)C1CC1 ZINC000660168998 419092915 /nfs/dbraw/zinc/09/29/15/419092915.db2.gz DOTUMTHXNAHONR-UHFFFAOYSA-N 1 1 251.757 3.499 20 30 CGEDMO C=CC[N@H+](Cc1cccc(OC)c1Cl)C1CC1 ZINC000660168998 419092918 /nfs/dbraw/zinc/09/29/18/419092918.db2.gz DOTUMTHXNAHONR-UHFFFAOYSA-N 1 1 251.757 3.499 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CC[C@H](c3ccc(C)cc3)C2)nn1 ZINC000653613071 419059887 /nfs/dbraw/zinc/05/98/87/419059887.db2.gz UDFSWVMPFWTIJB-KRWDZBQOSA-N 1 1 296.418 3.152 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc(F)ccc1OC(F)F ZINC000660400461 419137834 /nfs/dbraw/zinc/13/78/34/419137834.db2.gz OTCLLVBNJOSCPA-UHFFFAOYSA-N 1 1 259.271 3.435 20 30 CGEDMO C=CC[N@@H+](C[C@H](C)c1ccc(OC)cc1)[C@H](C)COC ZINC000661240775 419243474 /nfs/dbraw/zinc/24/34/74/419243474.db2.gz TZSBVZPZPLFCPR-LSDHHAIUSA-N 1 1 277.408 3.322 20 30 CGEDMO C=CCCn1cc(C[NH2+]Cc2c(C)cc(C)cc2C)nn1 ZINC000657336634 419253630 /nfs/dbraw/zinc/25/36/30/419253630.db2.gz VXNQXWFLBAXSTQ-UHFFFAOYSA-N 1 1 284.407 3.069 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cc(OC)cc(C)n2)C1 ZINC000661381922 419255336 /nfs/dbraw/zinc/25/53/36/419255336.db2.gz QDLCZIIAYQSYFJ-AWEZNQCLSA-N 1 1 260.381 3.187 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2c(C)nc3ccccn32)C1 ZINC000661381216 419255715 /nfs/dbraw/zinc/25/57/15/419255715.db2.gz XRWQXCGMCHRTDA-OAHLLOKOSA-N 1 1 269.392 3.431 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2noc(-c3cncc(C)c3)n2)C1 ZINC000661385834 419256337 /nfs/dbraw/zinc/25/63/37/419256337.db2.gz QGBBTBVCVOHADX-CQSZACIVSA-N 1 1 298.390 3.228 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2noc(-c3cncc(C)c3)n2)C1 ZINC000661385834 419256339 /nfs/dbraw/zinc/25/63/39/419256339.db2.gz QGBBTBVCVOHADX-CQSZACIVSA-N 1 1 298.390 3.228 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CCCN2CCCCC2)C1 ZINC000661386414 419256988 /nfs/dbraw/zinc/25/69/88/419256988.db2.gz SMEDLHGVUXPNNW-MRXNPFEDSA-N 1 1 250.430 3.151 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](CCCN2CCCCC2)C1 ZINC000661386414 419256991 /nfs/dbraw/zinc/25/69/91/419256991.db2.gz SMEDLHGVUXPNNW-MRXNPFEDSA-N 1 1 250.430 3.151 20 30 CGEDMO C[C@@]12COC[C@]1(C)C[N@H+](CC#Cc1cccc(Cl)c1)C2 ZINC000661491983 419266702 /nfs/dbraw/zinc/26/67/02/419266702.db2.gz WESNKVYBSFAFLI-CALCHBBNSA-N 1 1 289.806 3.050 20 30 CGEDMO C=CCCn1cc(C[NH2+]Cc2ccc(Cl)c(C)c2)nn1 ZINC000657435144 419277533 /nfs/dbraw/zinc/27/75/33/419277533.db2.gz MDWVKLOVIFXRHK-UHFFFAOYSA-N 1 1 290.798 3.106 20 30 CGEDMO C=CCCc1ccccc1NCc1c[nH+]c(C)n1C ZINC000657459055 419284162 /nfs/dbraw/zinc/28/41/62/419284162.db2.gz OGBKHLMFCFSXEK-UHFFFAOYSA-N 1 1 255.365 3.459 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)C(C)(C)C ZINC000661755420 419294777 /nfs/dbraw/zinc/29/47/77/419294777.db2.gz QGLMLFRITDBBCS-UHFFFAOYSA-N 1 1 282.334 3.190 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1)C(C)(C)C ZINC000661756487 419295093 /nfs/dbraw/zinc/29/50/93/419295093.db2.gz QKYMTTYBZFNOIE-UHFFFAOYSA-N 1 1 282.334 3.190 20 30 CGEDMO C=CCOCC[N@H+](Cc1ccccc1F)CC1CC1 ZINC000661791251 419298694 /nfs/dbraw/zinc/29/86/94/419298694.db2.gz FJLBDWOJUCBJSR-UHFFFAOYSA-N 1 1 263.356 3.240 20 30 CGEDMO CCC#C[C@H](C)[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000662049951 419329573 /nfs/dbraw/zinc/32/95/73/419329573.db2.gz DDHJAOQQZOQORH-GWCFXTLKSA-N 1 1 286.202 3.418 20 30 CGEDMO Cc1ccc(C[C@@H](C)[N@H+](C)Cc2nc(C#N)cs2)cc1 ZINC000356134639 228134974 /nfs/dbraw/zinc/13/49/74/228134974.db2.gz YSYIGANIFUQXKW-CYBMUJFWSA-N 1 1 285.416 3.386 20 30 CGEDMO Cc1ccc(C[C@@H](C)[N@@H+](C)Cc2nc(C#N)cs2)cc1 ZINC000356134639 228134976 /nfs/dbraw/zinc/13/49/76/228134976.db2.gz YSYIGANIFUQXKW-CYBMUJFWSA-N 1 1 285.416 3.386 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000662082069 419333520 /nfs/dbraw/zinc/33/35/20/419333520.db2.gz XIAOLHOZAPWFOK-OVYGPGRDSA-N 1 1 290.451 3.253 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000662084884 419334365 /nfs/dbraw/zinc/33/43/65/419334365.db2.gz XXBCAUATZIEWQD-NXOAAHMSSA-N 1 1 290.451 3.207 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000662084978 419334938 /nfs/dbraw/zinc/33/49/38/419334938.db2.gz BRILGLZNLAYTEN-FGTMMUONSA-N 1 1 296.414 3.189 20 30 CGEDMO C=CCCC(C)(C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000664233125 419865193 /nfs/dbraw/zinc/86/51/93/419865193.db2.gz HMPDGQNOEHJREA-GOOCMWNKSA-N 1 1 293.455 3.046 20 30 CGEDMO C[C@@H]1C[NH+](Cc2cccc(C#N)c2F)C[C@@H](C)S1 ZINC000219523776 287629120 /nfs/dbraw/zinc/62/91/20/287629120.db2.gz JGUYIQAZWDAACP-GHMZBOCLSA-N 1 1 264.369 3.023 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cc(OC)c(OC)c(OC)c1 ZINC000117875156 260117232 /nfs/dbraw/zinc/11/72/32/260117232.db2.gz HBAOZQJERWGSJW-UHFFFAOYSA-N 1 1 279.380 3.110 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cc(OC)c(OC)cc1OC ZINC000117875161 260117519 /nfs/dbraw/zinc/11/75/19/260117519.db2.gz REZINDVUYBDCRX-UHFFFAOYSA-N 1 1 279.380 3.110 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000298537105 260156996 /nfs/dbraw/zinc/15/69/96/260156996.db2.gz MUBRHMBSKQFYGT-LBPRGKRZSA-N 1 1 260.164 3.106 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(OC)ccn1 ZINC000106933654 260221565 /nfs/dbraw/zinc/22/15/65/260221565.db2.gz ZYEYMVGYGXYVHN-UHFFFAOYSA-N 1 1 298.386 3.287 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cc(OC)ccn1 ZINC000106933654 260221566 /nfs/dbraw/zinc/22/15/66/260221566.db2.gz ZYEYMVGYGXYVHN-UHFFFAOYSA-N 1 1 298.386 3.287 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000086585980 260394994 /nfs/dbraw/zinc/39/49/94/260394994.db2.gz BFWTUTNSDOFKQH-NSHDSACASA-N 1 1 252.745 3.130 20 30 CGEDMO NC(=[NH+]OCc1csc(C2CC2)n1)C1CCCCC1 ZINC000153126653 261073695 /nfs/dbraw/zinc/07/36/95/261073695.db2.gz SRRZZYHIMCELKT-UHFFFAOYSA-N 1 1 279.409 3.390 20 30 CGEDMO N#CCCCC[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000155025729 261096977 /nfs/dbraw/zinc/09/69/77/261096977.db2.gz SXQXTOVOYYQPJA-INIZCTEOSA-N 1 1 257.381 3.257 20 30 CGEDMO C=CC1CC[NH+](Cc2csc([C@H](C)OC)n2)CC1 ZINC000175220502 261214500 /nfs/dbraw/zinc/21/45/00/261214500.db2.gz WNLQKMPAFKZIBM-NSHDSACASA-N 1 1 266.410 3.249 20 30 CGEDMO CSC[C@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000310522181 262163299 /nfs/dbraw/zinc/16/32/99/262163299.db2.gz NUOAWDXZDYZCAC-ZDUSSCGKSA-N 1 1 254.443 3.391 20 30 CGEDMO CC(C)(C)OCc1cc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)no1 ZINC000193310010 262220609 /nfs/dbraw/zinc/22/06/09/262220609.db2.gz PLDLGRBYFDNJOF-CHWSQXEVSA-N 1 1 291.395 3.162 20 30 CGEDMO C=CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)cc2F)CC1 ZINC000111256548 262258626 /nfs/dbraw/zinc/25/86/26/262258626.db2.gz CRCRMAVIFBAVBS-CYBMUJFWSA-N 1 1 290.382 3.359 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@H]1CCCOC1 ZINC000336839140 262399708 /nfs/dbraw/zinc/39/97/08/262399708.db2.gz SMTKXTUFTKEJDE-KBAYOESNSA-N 1 1 284.403 3.185 20 30 CGEDMO C=CCOCC[N@@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000338954828 262573348 /nfs/dbraw/zinc/57/33/48/262573348.db2.gz YVQIKZWLICFRBJ-UHFFFAOYSA-N 1 1 299.418 3.144 20 30 CGEDMO C=CCOCC[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000339084849 262596011 /nfs/dbraw/zinc/59/60/11/262596011.db2.gz GOPLVFFNIDPPSJ-CYBMUJFWSA-N 1 1 272.348 3.195 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000266538243 262917459 /nfs/dbraw/zinc/91/74/59/262917459.db2.gz PBHUZZUYFYALJD-RDJZCZTQSA-N 1 1 270.376 3.353 20 30 CGEDMO CC[N@@H+](CCC(C)(C)C#N)Cc1ccc(OC)c(OC)c1 ZINC000272072415 263001938 /nfs/dbraw/zinc/00/19/38/263001938.db2.gz ZKDIHPVZZDDZNN-UHFFFAOYSA-N 1 1 290.407 3.466 20 30 CGEDMO CC1(C#N)CC[NH+](Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000272566818 263006892 /nfs/dbraw/zinc/00/68/92/263006892.db2.gz VAEOJGQJSKSLIR-UHFFFAOYSA-N 1 1 298.365 3.341 20 30 CGEDMO C[C@@H]1CCC[C@@H](CO)[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000272642271 263007942 /nfs/dbraw/zinc/00/79/42/263007942.db2.gz LUBUQKKXAIZUIG-ZBFHGGJFSA-N 1 1 286.419 3.223 20 30 CGEDMO CCc1nc([C@H](C)[NH2+]CCC(C)(C)C#N)cs1 ZINC000273244001 263014467 /nfs/dbraw/zinc/01/44/67/263014467.db2.gz AUVFWBKECOVBMA-JTQLQIEISA-N 1 1 251.399 3.296 20 30 CGEDMO COc1cccc([C@H]2C[C@H]([N@@H+](C)CCCC#N)C2)c1 ZINC000452009751 263023590 /nfs/dbraw/zinc/02/35/90/263023590.db2.gz AALBXDSITYVKSG-SHTZXODSSA-N 1 1 258.365 3.177 20 30 CGEDMO C[C@@H](CCC#N)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000276283983 263035698 /nfs/dbraw/zinc/03/56/98/263035698.db2.gz GLNGLRRALQAKOF-BHMZLHOFSA-N 1 1 283.419 3.010 20 30 CGEDMO CC[N@H+](Cc1c(F)cccc1F)[C@H]1CC[C@@H](C#N)C1 ZINC000278499804 263048389 /nfs/dbraw/zinc/04/83/89/263048389.db2.gz ABFYECMOJGPTAY-NEPJUHHUSA-N 1 1 264.319 3.479 20 30 CGEDMO CC[N@@H+](Cc1c(F)cccc1F)[C@H]1CC[C@@H](C#N)C1 ZINC000278499804 263048390 /nfs/dbraw/zinc/04/83/90/263048390.db2.gz ABFYECMOJGPTAY-NEPJUHHUSA-N 1 1 264.319 3.479 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000278753168 263050587 /nfs/dbraw/zinc/05/05/87/263050587.db2.gz XIIIXKWYIQLSJK-YPMHNXCESA-N 1 1 260.768 3.390 20 30 CGEDMO Cn1nccc1[C@@H]1CCCC[N@H+]1CCCC(C)(C)C#N ZINC000281508180 263069663 /nfs/dbraw/zinc/06/96/63/263069663.db2.gz UWADSUGNCGPMDP-HNNXBMFYSA-N 1 1 274.412 3.277 20 30 CGEDMO C=CCC[C@H]([NH2+]C[C@H](C1CC1)N(C)C)c1ccco1 ZINC000353454188 263070657 /nfs/dbraw/zinc/07/06/57/263070657.db2.gz IGAQNVYOBROIIL-LSDHHAIUSA-N 1 1 262.397 3.217 20 30 CGEDMO C[N@@H+](CCCC1(C#N)CCOCC1)CCc1cccs1 ZINC000282037308 263073775 /nfs/dbraw/zinc/07/37/75/263073775.db2.gz QOBSMLUDGHQIFR-UHFFFAOYSA-N 1 1 292.448 3.323 20 30 CGEDMO N#CC1(CCC[N@H+]2CCC[C@H]2c2ccncc2)CCOCC1 ZINC000282055009 263073882 /nfs/dbraw/zinc/07/38/82/263073882.db2.gz RSWNPKVSUSKTBP-KRWDZBQOSA-N 1 1 299.418 3.319 20 30 CGEDMO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1c(F)cncc1F ZINC000285662426 263094961 /nfs/dbraw/zinc/09/49/61/263094961.db2.gz MKCQVGYZCRTNIJ-HBNTYKKESA-N 1 1 265.307 3.093 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@@H+]2CCc3[nH]c4ccccc4c3C2)C1 ZINC000292879234 263135901 /nfs/dbraw/zinc/13/59/01/263135901.db2.gz TYYNYXQIRNWEFN-OLZOCXBDSA-N 1 1 265.360 3.218 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCc3[nH]c4ccccc4c3C2)C1 ZINC000292879234 263135902 /nfs/dbraw/zinc/13/59/02/263135902.db2.gz TYYNYXQIRNWEFN-OLZOCXBDSA-N 1 1 265.360 3.218 20 30 CGEDMO COc1ccccc1[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000293009315 263136967 /nfs/dbraw/zinc/13/69/67/263136967.db2.gz HHDJRBYEUBNGNH-RRFJBIMHSA-N 1 1 270.376 3.177 20 30 CGEDMO C[C@H]1c2ccc(Cl)n2CC[N@@H+]1CCCSCC#N ZINC000293259315 263139010 /nfs/dbraw/zinc/13/90/10/263139010.db2.gz RXAHYOSGWRGNKL-NSHDSACASA-N 1 1 283.828 3.165 20 30 CGEDMO CC[N@@H+](CCOCCC#N)[C@H](C)c1cccc(OC)c1 ZINC000293441117 263140453 /nfs/dbraw/zinc/14/04/53/263140453.db2.gz KADYDFBABGOHPB-CQSZACIVSA-N 1 1 276.380 3.008 20 30 CGEDMO CC1(C)C[N@H+]([C@@H]2CC[C@@H](C#N)C2)Cc2ccccc2O1 ZINC000293539337 263142900 /nfs/dbraw/zinc/14/29/00/263142900.db2.gz KBRBWKDCBLWFBK-UKRRQHHQSA-N 1 1 270.376 3.352 20 30 CGEDMO CC[N@@H+](CCOCCC#N)Cc1cccc(Cl)c1 ZINC000293625453 263144888 /nfs/dbraw/zinc/14/48/88/263144888.db2.gz WJFZOQWWCMCTFX-UHFFFAOYSA-N 1 1 266.772 3.092 20 30 CGEDMO C=C(Cl)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000297985628 263213245 /nfs/dbraw/zinc/21/32/45/263213245.db2.gz AAMKEUHROMSICO-UHFFFAOYSA-N 1 1 254.717 3.172 20 30 CGEDMO CC(=O)c1cccc(C[NH+]2CCC(C)(C#N)CC2)c1 ZINC000294961983 263170030 /nfs/dbraw/zinc/17/00/30/263170030.db2.gz KBTGOIRWSQVWRV-UHFFFAOYSA-N 1 1 256.349 3.015 20 30 CGEDMO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccc(F)cc1O ZINC000296586105 263193573 /nfs/dbraw/zinc/19/35/73/263193573.db2.gz URFXTZJPLCEUJH-GVXVVHGQSA-N 1 1 262.328 3.264 20 30 CGEDMO C[C@H](CCC#N)[N@@H+](C)Cc1ccc(Br)o1 ZINC000297753806 263209275 /nfs/dbraw/zinc/20/92/75/263209275.db2.gz DZGHDDNQCMEURW-SECBINFHSA-N 1 1 271.158 3.166 20 30 CGEDMO CCOc1ccc([C@@H](C)[NH2+]CCC#N)cc1OCC ZINC000298656657 263223487 /nfs/dbraw/zinc/22/34/87/263223487.db2.gz BSLNGKXXQAPBAY-GFCCVEGCSA-N 1 1 262.353 3.048 20 30 CGEDMO C[C@@H]([NH2+]CCC#N)c1ccc(OCC(F)(F)F)cc1 ZINC000299490470 263243547 /nfs/dbraw/zinc/24/35/47/263243547.db2.gz AQHSQONEROVHNL-SNVBAGLBSA-N 1 1 272.270 3.192 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000340921848 263315205 /nfs/dbraw/zinc/31/52/05/263315205.db2.gz TUUQQGMICSOKFU-ZOBUZTSGSA-N 1 1 290.451 3.207 20 30 CGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]1CC ZINC000341170301 263324890 /nfs/dbraw/zinc/32/48/90/263324890.db2.gz OXENNNHKNNTJBJ-SJORKVTESA-N 1 1 289.419 3.029 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000342727625 263480372 /nfs/dbraw/zinc/48/03/72/263480372.db2.gz VPNVXPIOTHNMGW-HUUCEWRRSA-N 1 1 274.408 3.069 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000424856205 264232515 /nfs/dbraw/zinc/23/25/15/264232515.db2.gz UKPDUMAVMIPADX-UHFFFAOYSA-N 1 1 292.423 3.162 20 30 CGEDMO C=C[C@H](CC(=O)NCC[N@H+](C)[C@@H](C)CC)c1ccccc1 ZINC000127134670 264244370 /nfs/dbraw/zinc/24/43/70/264244370.db2.gz CASUOCCDUNQTCP-JKSUJKDBSA-N 1 1 288.435 3.193 20 30 CGEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC000072875647 264272896 /nfs/dbraw/zinc/27/28/96/264272896.db2.gz IZSOEJXPAQFGOX-ZDUSSCGKSA-N 1 1 290.432 3.388 20 30 CGEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC000072875647 264272897 /nfs/dbraw/zinc/27/28/97/264272897.db2.gz IZSOEJXPAQFGOX-ZDUSSCGKSA-N 1 1 290.432 3.388 20 30 CGEDMO Cc1ccc[nH+]c1NCc1c(F)cc(C#N)cc1F ZINC000192746943 270077898 /nfs/dbraw/zinc/07/78/98/270077898.db2.gz ZLDUCWIEJXRKBF-UHFFFAOYSA-N 1 1 259.259 3.152 20 30 CGEDMO C=CCCC1(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000356542107 266133746 /nfs/dbraw/zinc/13/37/46/266133746.db2.gz NFVGKVOFMZHXNS-DLBZAZTESA-N 1 1 298.430 3.294 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000357046144 266238443 /nfs/dbraw/zinc/23/84/43/266238443.db2.gz UNWKHTPOMFVGCN-HZPDHXFCSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CC[N@@H+](CCCc1nc(C)no1)CCc1ccccc1 ZINC000357738858 266352967 /nfs/dbraw/zinc/35/29/67/266352967.db2.gz ZTXSOJUUNNQWOZ-UHFFFAOYSA-N 1 1 285.391 3.041 20 30 CGEDMO CC[C@@H]1C[C@@H](C)C[N@H+]1CCOc1ccc(C#N)cc1 ZINC000399720769 266385643 /nfs/dbraw/zinc/38/56/43/266385643.db2.gz COWOJFUEEMQIHL-UKRRQHHQSA-N 1 1 258.365 3.057 20 30 CGEDMO CC[C@@H]1C[C@H](C)C[N@H+]1CCCOc1cccc(C#N)c1 ZINC000399749979 266385781 /nfs/dbraw/zinc/38/57/81/266385781.db2.gz LJRWXQZGAKUCHN-GOEBONIOSA-N 1 1 272.392 3.448 20 30 CGEDMO CC(=O)c1ccc(C#N)c(NC[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000528210916 266844557 /nfs/dbraw/zinc/84/45/57/266844557.db2.gz QYBGSADZODWPDD-QGZVFWFLSA-N 1 1 297.402 3.190 20 30 CGEDMO C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ncccc1F ZINC000528037957 270153007 /nfs/dbraw/zinc/15/30/07/270153007.db2.gz NGYKZISBTGCGQP-MEDUHNTESA-N 1 1 281.334 3.430 20 30 CGEDMO C=CCC[C@H](NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000362903999 267058446 /nfs/dbraw/zinc/05/84/46/267058446.db2.gz KAPJFUSMZUWRJM-OIISXLGYSA-N 1 1 286.419 3.008 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000367701032 267111213 /nfs/dbraw/zinc/11/12/13/267111213.db2.gz JUQVYUBTHZLMDN-CYBMUJFWSA-N 1 1 292.345 3.096 20 30 CGEDMO C[C@H](CN[C@@H]1CCc2ccc(C#N)cc21)[N@@H+]1CCCC[C@H]1C ZINC000353424485 267162389 /nfs/dbraw/zinc/16/23/89/267162389.db2.gz HJTMEDXVYVTWLC-SPYBWZPUSA-N 1 1 297.446 3.398 20 30 CGEDMO C[C@H](CN[C@@H]1CCc2ccc(C#N)cc21)[N@H+]1CCCC[C@H]1C ZINC000353424485 267162390 /nfs/dbraw/zinc/16/23/90/267162390.db2.gz HJTMEDXVYVTWLC-SPYBWZPUSA-N 1 1 297.446 3.398 20 30 CGEDMO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2COc3cc(F)cc(F)c32)C1 ZINC000368397980 267168989 /nfs/dbraw/zinc/16/89/89/267168989.db2.gz AXJJKOLGFWIXOM-SUZMYJTESA-N 1 1 278.302 3.070 20 30 CGEDMO C[C@@H]1C[C@@H](NCC2(C#N)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000418140792 267361783 /nfs/dbraw/zinc/36/17/83/267361783.db2.gz KFBJPQPEAAPASU-AEFFLSMTSA-N 1 1 297.446 3.323 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc(OC(F)F)cc2)CCC1 ZINC000418141808 267364209 /nfs/dbraw/zinc/36/42/09/267364209.db2.gz MADWVGJKTIVBGE-UHFFFAOYSA-N 1 1 266.291 3.071 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000371205233 267369788 /nfs/dbraw/zinc/36/97/88/267369788.db2.gz PRIAYCUNZHTHEY-JTQLQIEISA-N 1 1 288.338 3.365 20 30 CGEDMO C[C@H]1CC(F)(F)CC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000528766117 270171811 /nfs/dbraw/zinc/17/18/11/270171811.db2.gz JGICYONHLJIZJG-LBPRGKRZSA-N 1 1 280.318 3.057 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@@H](OC)CC2)c1 ZINC000377244400 268059135 /nfs/dbraw/zinc/05/91/35/268059135.db2.gz LJJCBSXQOQDBAB-MRXNPFEDSA-N 1 1 275.392 3.252 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccn2)c(F)c1 ZINC000530962851 268219766 /nfs/dbraw/zinc/21/97/66/268219766.db2.gz IAZZJGVLFXHNGM-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccccn2)c(F)c1 ZINC000530962851 268219768 /nfs/dbraw/zinc/21/97/68/268219768.db2.gz IAZZJGVLFXHNGM-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C#N)cc1F)CO2 ZINC000532987447 270220839 /nfs/dbraw/zinc/22/08/39/270220839.db2.gz PAPZKCXHOCUVHP-INIZCTEOSA-N 1 1 282.318 3.229 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000489452313 269566183 /nfs/dbraw/zinc/56/61/83/269566183.db2.gz WLVIEEDJXOMHLQ-OAHLLOKOSA-N 1 1 294.358 3.149 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000489452313 269566184 /nfs/dbraw/zinc/56/61/84/269566184.db2.gz WLVIEEDJXOMHLQ-OAHLLOKOSA-N 1 1 294.358 3.149 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@H]2CCOc3c(Cl)cccc32)o1 ZINC000174301408 274923118 /nfs/dbraw/zinc/92/31/18/274923118.db2.gz ATUOTIYDXBOWCI-AWEZNQCLSA-N 1 1 288.734 3.418 20 30 CGEDMO C#CCCC[N@@H+]1C[C@H](c2ccccc2C)OC[C@@H]1C ZINC000271064572 275379443 /nfs/dbraw/zinc/37/94/43/275379443.db2.gz UDNNAVJPAZNVEZ-DOTOQJQBSA-N 1 1 257.377 3.170 20 30 CGEDMO CCN1CC[C@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)[C@H](C)C1 ZINC000341707612 276230728 /nfs/dbraw/zinc/23/07/28/276230728.db2.gz NGQFEDXVEKQCEO-MDASCCDHSA-N 1 1 297.446 3.256 20 30 CGEDMO C[C@@H](CN[C@H]1CCc2ccc(C#N)cc21)C[NH+]1CCCCC1 ZINC000353383240 278287122 /nfs/dbraw/zinc/28/71/22/278287122.db2.gz IREXUOUCHMDGAR-KXBFYZLASA-N 1 1 297.446 3.257 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247977541 278306077 /nfs/dbraw/zinc/30/60/77/278306077.db2.gz HZDJQWPMSQSDIB-JLSDUUJJSA-N 1 1 283.419 3.035 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247977541 278306078 /nfs/dbraw/zinc/30/60/78/278306078.db2.gz HZDJQWPMSQSDIB-JLSDUUJJSA-N 1 1 283.419 3.035 20 30 CGEDMO C[C@@H]1c2ccccc2CC[N@H+]1Cc1ccc(C#N)o1 ZINC000093149415 279134190 /nfs/dbraw/zinc/13/41/90/279134190.db2.gz MXHCZFJWTRBEOA-GFCCVEGCSA-N 1 1 252.317 3.271 20 30 CGEDMO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(C#N)o1 ZINC000093149415 279134193 /nfs/dbraw/zinc/13/41/93/279134193.db2.gz MXHCZFJWTRBEOA-GFCCVEGCSA-N 1 1 252.317 3.271 20 30 CGEDMO CC[C@H]1CC[C@@H](C)[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000357555589 288239185 /nfs/dbraw/zinc/23/91/85/288239185.db2.gz SORDBEIKZWZLDZ-HIFRSBDPSA-N 1 1 288.391 3.209 20 30 CGEDMO Cc1cc(NC(=O)[C@H]2CCC(=O)[C@H](C)C2)cn2cc[nH+]c12 ZINC000329371963 280590206 /nfs/dbraw/zinc/59/02/06/280590206.db2.gz JEEIJFOSFLKJNB-PWSUYJOCSA-N 1 1 285.347 3.236 20 30 CGEDMO CCCC[N@@H+](C)C[C@H](C)N[C@H](C)c1ccc(C#N)cc1F ZINC000554742333 289307696 /nfs/dbraw/zinc/30/76/96/289307696.db2.gz SOWAENJGQRXFLZ-UONOGXRCSA-N 1 1 291.414 3.468 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000335042210 290219728 /nfs/dbraw/zinc/21/97/28/290219728.db2.gz XIZHQTRENHGHHL-PBHICJAKSA-N 1 1 270.376 3.122 20 30 CGEDMO C[C@@H](O)[C@H]1CCCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000269021594 328188730 /nfs/dbraw/zinc/18/87/30/328188730.db2.gz ZGUVZLOZPCLRJR-RHSMWYFYSA-N 1 1 286.419 3.223 20 30 CGEDMO N#CCOc1ccc(C[N@@H+](Cc2ccncc2)C2CC2)cc1 ZINC000271393190 328196336 /nfs/dbraw/zinc/19/63/36/328196336.db2.gz RTIRATAZKVXECE-UHFFFAOYSA-N 1 1 293.370 3.149 20 30 CGEDMO C[C@H](c1ccsc1)[NH+]1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000278539775 328226687 /nfs/dbraw/zinc/22/66/87/328226687.db2.gz GEVOEUFHRLMJMY-IIAWOOMASA-N 1 1 289.448 3.119 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000181251839 329227655 /nfs/dbraw/zinc/22/76/55/329227655.db2.gz BJYGUTNGLQDUDI-LLVKDONJSA-N 1 1 266.772 3.175 20 30 CGEDMO Cc1ccccc1[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000292991781 328274377 /nfs/dbraw/zinc/27/43/77/328274377.db2.gz GCLGFMXBMWBMFQ-OAGGEKHMSA-N 1 1 254.377 3.477 20 30 CGEDMO N#CCCOCC[N@@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000294187911 328279439 /nfs/dbraw/zinc/27/94/39/328279439.db2.gz QUCLKDVSRDMNIQ-UHFFFAOYSA-N 1 1 290.794 3.359 20 30 CGEDMO CCc1ccc([C@@H]2C[N@@H+]([C@H]3CC[C@@H](C#N)C3)CCO2)cc1 ZINC000294687302 328282546 /nfs/dbraw/zinc/28/25/46/328282546.db2.gz SXHPCIQSJNABLW-NJAFHUGGSA-N 1 1 284.403 3.315 20 30 CGEDMO CCc1ccc([C@@H]2C[N@H+]([C@H]3CC[C@@H](C#N)C3)CCO2)cc1 ZINC000294687302 328282547 /nfs/dbraw/zinc/28/25/47/328282547.db2.gz SXHPCIQSJNABLW-NJAFHUGGSA-N 1 1 284.403 3.315 20 30 CGEDMO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000565043461 322056689 /nfs/dbraw/zinc/05/66/89/322056689.db2.gz HLFAKVWNGQOSLJ-AGIUHOORSA-N 1 1 287.363 3.333 20 30 CGEDMO CCC(C)(C)[C@H]1CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000565159544 322063634 /nfs/dbraw/zinc/06/36/34/322063634.db2.gz ZLROVVLSBJPDKX-OAHLLOKOSA-N 1 1 257.381 3.354 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3ccncc3)C2)s1 ZINC000566923638 322143344 /nfs/dbraw/zinc/14/33/44/322143344.db2.gz MSOCQJZKDJPLEK-CQSZACIVSA-N 1 1 283.400 3.394 20 30 CGEDMO N#Cc1csc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)c1 ZINC000568762927 322221836 /nfs/dbraw/zinc/22/18/36/322221836.db2.gz DDDWOIIABZUCJT-HNNXBMFYSA-N 1 1 284.384 3.273 20 30 CGEDMO C[C@@H]1C[C@H](Nc2cccc(C(F)F)c2C#N)CC[N@H+]1C ZINC000569355185 322244479 /nfs/dbraw/zinc/24/44/79/322244479.db2.gz AQJZNKNOZDLZDM-GHMZBOCLSA-N 1 1 279.334 3.390 20 30 CGEDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1c(Cl)cccc1C#N ZINC000570768255 322281585 /nfs/dbraw/zinc/28/15/85/322281585.db2.gz LXUVVUFPTITZJM-LLVKDONJSA-N 1 1 265.788 3.352 20 30 CGEDMO C[C@@H]1CCC[C@@H](C)[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000571807577 322308338 /nfs/dbraw/zinc/30/83/38/322308338.db2.gz YIMLSRXHAOMSMY-CHWSQXEVSA-N 1 1 287.363 3.477 20 30 CGEDMO CCCC[N@H+](C)C[C@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000572745553 322352841 /nfs/dbraw/zinc/35/28/41/322352841.db2.gz ZPDXENCXLMNFIU-GJZGRUSLSA-N 1 1 273.424 3.329 20 30 CGEDMO CCCC[N@@H+](C)C[C@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000572745553 322352844 /nfs/dbraw/zinc/35/28/44/322352844.db2.gz ZPDXENCXLMNFIU-GJZGRUSLSA-N 1 1 273.424 3.329 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000573492995 322391135 /nfs/dbraw/zinc/39/11/35/322391135.db2.gz ASIGILUCTUDNOD-HIFRSBDPSA-N 1 1 285.347 3.231 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)N(CC)C1CCCCC1 ZINC000535010402 328376580 /nfs/dbraw/zinc/37/65/80/328376580.db2.gz MXUFSFWAOVCHSR-OAHLLOKOSA-N 1 1 280.456 3.454 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000255953816 327037033 /nfs/dbraw/zinc/03/70/33/327037033.db2.gz SLTKLMFLMUAGLC-KLHDSHLOSA-N 1 1 280.456 3.214 20 30 CGEDMO N#CCCC1CC[NH+](Cc2nnc(-c3ccccc3)o2)CC1 ZINC000564916135 327142289 /nfs/dbraw/zinc/14/22/89/327142289.db2.gz JRARSMOUDXDFOM-UHFFFAOYSA-N 1 1 296.374 3.252 20 30 CGEDMO CC1(C)C[N@@H+](CCCCC#N)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000375994660 329006162 /nfs/dbraw/zinc/00/61/62/329006162.db2.gz NJLCCFBOHVOUTH-VYDXJSESSA-N 1 1 276.424 3.350 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@@](CO)(C(C)C)C2)c1 ZINC000378137544 329041175 /nfs/dbraw/zinc/04/11/75/329041175.db2.gz ZIODJIXLCHTFSD-GOSISDBHSA-N 1 1 289.419 3.092 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cn(C)nc1-c1cccs1 ZINC000181042787 329225144 /nfs/dbraw/zinc/22/51/44/329225144.db2.gz LLIMOQOPIJQIMN-UHFFFAOYSA-N 1 1 261.394 3.157 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cnc(C)n1-c1ccccc1 ZINC000181046212 329225585 /nfs/dbraw/zinc/22/55/85/329225585.db2.gz AVZMPPXFJIZURB-UHFFFAOYSA-N 1 1 255.365 3.189 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000181246011 329227591 /nfs/dbraw/zinc/22/75/91/329227591.db2.gz QTCYHKIYUJWHHR-KGLIPLIRSA-N 1 1 292.448 3.308 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000181251839 329227653 /nfs/dbraw/zinc/22/76/53/329227653.db2.gz BJYGUTNGLQDUDI-LLVKDONJSA-N 1 1 266.772 3.175 20 30 CGEDMO C=CCCCC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000582968020 329295532 /nfs/dbraw/zinc/29/55/32/329295532.db2.gz KGVJAVHEGMOMKR-SFHVURJKSA-N 1 1 286.419 3.124 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccc(CC)cc1 ZINC000467301242 329332899 /nfs/dbraw/zinc/33/28/99/329332899.db2.gz ZJFGODLWRPWHDU-LSDHHAIUSA-N 1 1 288.435 3.323 20 30 CGEDMO C[C@H](CC#N)[N@H+](C)CCCC(=O)c1ccc(F)cc1 ZINC000063087442 329367688 /nfs/dbraw/zinc/36/76/88/329367688.db2.gz MFTFHSPYDMCJKA-GFCCVEGCSA-N 1 1 262.328 3.023 20 30 CGEDMO C[C@H](CC#N)[N@@H+](C)CCCC(=O)c1ccc(F)cc1 ZINC000063087442 329367690 /nfs/dbraw/zinc/36/76/90/329367690.db2.gz MFTFHSPYDMCJKA-GFCCVEGCSA-N 1 1 262.328 3.023 20 30 CGEDMO C=CCC1(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CCC1 ZINC000188753859 329373048 /nfs/dbraw/zinc/37/30/48/329373048.db2.gz PQAINRZKITYETF-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H]1CC[C@H](C)O1 ZINC000190418761 329396620 /nfs/dbraw/zinc/39/66/20/329396620.db2.gz DVHYSKVAORKILM-YOEHRIQHSA-N 1 1 275.392 3.251 20 30 CGEDMO CC(C)(C)c1ncc(C[NH+]2CCC(C#N)CC2)s1 ZINC000123749511 329562379 /nfs/dbraw/zinc/56/23/79/329562379.db2.gz AUDDJDNPJKOCHS-UHFFFAOYSA-N 1 1 263.410 3.176 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000268546007 330066194 /nfs/dbraw/zinc/06/61/94/330066194.db2.gz MBLBSSLNHXYOKX-KBPBESRZSA-N 1 1 251.395 3.212 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000276420091 330113687 /nfs/dbraw/zinc/11/36/87/330113687.db2.gz MLXUWKNTXHZCFF-UHFFFAOYSA-N 1 1 287.190 3.440 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CC[C@H](c2ccc(CC)cc2)C1 ZINC000433054420 330138730 /nfs/dbraw/zinc/13/87/30/330138730.db2.gz SROLQNXZPXUIER-ZWKOTPCHSA-N 1 1 273.420 3.365 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)NCc1ccccc1 ZINC000532966910 330323451 /nfs/dbraw/zinc/32/34/51/330323451.db2.gz BFWHNZDRQMATBN-MRXNPFEDSA-N 1 1 288.435 3.370 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cc(=O)n2cc(C)ccc2n1 ZINC000532968082 330323550 /nfs/dbraw/zinc/32/35/50/330323550.db2.gz RURSKMNCFSQQED-UHFFFAOYSA-N 1 1 299.418 3.181 20 30 CGEDMO C=CCn1cc(C[NH2+][C@H](C)c2cc(C)c(C)cc2C)nn1 ZINC000424293829 330335453 /nfs/dbraw/zinc/33/54/53/330335453.db2.gz JOZCXXASMFJJSD-OAHLLOKOSA-N 1 1 284.407 3.240 20 30 CGEDMO Cn1cc(C[N@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)cc1C#N ZINC000191661002 330349795 /nfs/dbraw/zinc/34/97/95/330349795.db2.gz ISBJFIYASISBDV-CYBMUJFWSA-N 1 1 299.340 3.307 20 30 CGEDMO C=CCCC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@H](C)CC ZINC000121236378 330398263 /nfs/dbraw/zinc/39/82/63/330398263.db2.gz FIUZOIQYTQMUMY-CQSZACIVSA-N 1 1 299.418 3.490 20 30 CGEDMO COc1ccc([C@H](C)[NH2+]CC2(C#N)CCC2)cc1OC ZINC000450677605 330992981 /nfs/dbraw/zinc/99/29/81/330992981.db2.gz RQIPJDZHEUOTLH-LBPRGKRZSA-N 1 1 274.364 3.048 20 30 CGEDMO Clc1ccccc1C#CCn1c[nH+]c2c1CCCC2 ZINC000450976713 331009717 /nfs/dbraw/zinc/00/97/17/331009717.db2.gz DECVKKNUQKWVMZ-UHFFFAOYSA-N 1 1 270.763 3.467 20 30 CGEDMO C[C@@H]([N@@H+](C)Cc1ccccc1C(C)(C)C#N)C(C)(C)O ZINC000451356226 331025565 /nfs/dbraw/zinc/02/55/65/331025565.db2.gz AKPHUHDDFFOHDD-CYBMUJFWSA-N 1 1 274.408 3.079 20 30 CGEDMO CCO[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC000451524124 331032426 /nfs/dbraw/zinc/03/24/26/331032426.db2.gz DSSDCHYBFXMXBX-PBHICJAKSA-N 1 1 291.822 3.438 20 30 CGEDMO CCO[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC000451524124 331032427 /nfs/dbraw/zinc/03/24/27/331032427.db2.gz DSSDCHYBFXMXBX-PBHICJAKSA-N 1 1 291.822 3.438 20 30 CGEDMO CC1(C)C[N@@H+](CC#Cc2ccc(Cl)cc2)[C@@H]2COC[C@@H]21 ZINC000452102544 331054269 /nfs/dbraw/zinc/05/42/69/331054269.db2.gz GGAVWKUVVNSBRH-JKSUJKDBSA-N 1 1 289.806 3.048 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)C[C@@H](O)Cc1ccccc1 ZINC000195725152 331181233 /nfs/dbraw/zinc/18/12/33/331181233.db2.gz REAZGEVZWWCESL-FQEVSTJZSA-N 1 1 295.426 3.321 20 30 CGEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC2(CCCC2)[C@H]1c1ccccc1 ZINC000459576203 331288741 /nfs/dbraw/zinc/28/87/41/331288741.db2.gz UVPYJKVKMGOOGJ-DOTOQJQBSA-N 1 1 298.430 3.294 20 30 CGEDMO CC#CCC[N@@H+](C[C@H]1CCCO1)C1CCC(C)CC1 ZINC000462317003 331319311 /nfs/dbraw/zinc/31/93/11/331319311.db2.gz BOXKLZKVZZQDQR-OFLPRAFFSA-N 1 1 263.425 3.460 20 30 CGEDMO CC#CCC[N@@H+]1C[C@@H](C)C[C@H]1c1cccc(OC)c1 ZINC000462467122 331322519 /nfs/dbraw/zinc/32/25/19/331322519.db2.gz QIVXPGNDDFFPEG-YOEHRIQHSA-N 1 1 257.377 3.492 20 30 CGEDMO CC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CCOC1 ZINC000463450896 331347941 /nfs/dbraw/zinc/34/79/41/331347941.db2.gz MPLIISCEWHUQBF-HNNXBMFYSA-N 1 1 297.320 3.168 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(OC)ccc1OC ZINC000489437870 332052353 /nfs/dbraw/zinc/05/23/53/332052353.db2.gz WVTROGXZAVJXLG-AWEZNQCLSA-N 1 1 261.365 3.244 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CCOCC(F)(F)C(F)(F)F ZINC000489494037 332056269 /nfs/dbraw/zinc/05/62/69/332056269.db2.gz UHJIRINGNRZYKJ-JTQLQIEISA-N 1 1 287.272 3.241 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CCc1nc(-c2ccccc2)no1 ZINC000489500624 332057012 /nfs/dbraw/zinc/05/70/12/332057012.db2.gz SOTUDXBILVLELZ-OAHLLOKOSA-N 1 1 283.375 3.320 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(OCc2cccnc2)cc1 ZINC000491427236 332209509 /nfs/dbraw/zinc/20/95/09/332209509.db2.gz JPEROZQCLRPSND-OAHLLOKOSA-N 1 1 280.371 3.114 20 30 CGEDMO C#C[C@H](CC)[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000491543648 332234091 /nfs/dbraw/zinc/23/40/91/332234091.db2.gz ICFHMUUOCCNDMA-CYBMUJFWSA-N 1 1 256.374 3.312 20 30 CGEDMO C#C[C@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1ccc(F)cc1 ZINC000491709893 332301910 /nfs/dbraw/zinc/30/19/10/332301910.db2.gz SLHWWNDECLOKSB-KRWDZBQOSA-N 1 1 294.329 3.170 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1cccc(COC)c1)c1ccc(F)cc1 ZINC000491717504 332306859 /nfs/dbraw/zinc/30/68/59/332306859.db2.gz QYPQRMASJARMMH-GOSISDBHSA-N 1 1 283.346 3.436 20 30 CGEDMO C#CC[N@@H+](Cc1ccn(CC(F)(F)F)n1)C1CCCCC1 ZINC000491725167 332309179 /nfs/dbraw/zinc/30/91/79/332309179.db2.gz DAPWBSPZQUVDAX-UHFFFAOYSA-N 1 1 299.340 3.213 20 30 CGEDMO C#CC[N@H+](Cc1ccn(CC(F)(F)F)n1)C1CCCCC1 ZINC000491725167 332309180 /nfs/dbraw/zinc/30/91/80/332309180.db2.gz DAPWBSPZQUVDAX-UHFFFAOYSA-N 1 1 299.340 3.213 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1csc(-c2ccccn2)n1)C(C)(C)C ZINC000491735115 332315701 /nfs/dbraw/zinc/31/57/01/332315701.db2.gz SLNFQQUPPPTARV-CQSZACIVSA-N 1 1 285.416 3.343 20 30 CGEDMO C=CCOc1cccc(C[N@H+](C)[C@@H](CO)CC(C)C)c1 ZINC000575789418 335115031 /nfs/dbraw/zinc/11/50/31/335115031.db2.gz ZHIKOYGNYWWERB-MRXNPFEDSA-N 1 1 277.408 3.090 20 30 CGEDMO C=CC[N@H+](CCOC)C/C(C)=C\c1ccccc1COC ZINC000513192521 333007798 /nfs/dbraw/zinc/00/77/98/333007798.db2.gz LTKWKBIOXKVYLM-SSZFMOIBSA-N 1 1 289.419 3.371 20 30 CGEDMO CC[N@@H+](CCc1ccc(Cl)cc1)C[C@@H](C)C#N ZINC000308642027 333037181 /nfs/dbraw/zinc/03/71/81/333037181.db2.gz FGVOQWWEMNTXBL-LBPRGKRZSA-N 1 1 250.773 3.364 20 30 CGEDMO N#CCC[N@@H+](CCOc1cccc(Cl)c1)CC1CC1 ZINC000177030647 333052462 /nfs/dbraw/zinc/05/24/62/333052462.db2.gz GLJVNHDRFNHBJK-UHFFFAOYSA-N 1 1 278.783 3.344 20 30 CGEDMO N#CCC[N@H+](CCOc1cccc(Cl)c1)CC1CC1 ZINC000177030647 333052463 /nfs/dbraw/zinc/05/24/63/333052463.db2.gz GLJVNHDRFNHBJK-UHFFFAOYSA-N 1 1 278.783 3.344 20 30 CGEDMO COc1ccc(C[NH2+]CCC#N)cc1OC1CCCC1 ZINC000517733005 333106990 /nfs/dbraw/zinc/10/69/90/333106990.db2.gz VIWMNXWYVZEKMY-UHFFFAOYSA-N 1 1 274.364 3.020 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000185077428 333135154 /nfs/dbraw/zinc/13/51/54/333135154.db2.gz YZIXGKLXSOGAAM-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000192065151 333229174 /nfs/dbraw/zinc/22/91/74/333229174.db2.gz YTNTUFRZJGXINI-DLBZAZTESA-N 1 1 271.429 3.398 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000192226971 333232985 /nfs/dbraw/zinc/23/29/85/333232985.db2.gz LFCWORXEVBYMFE-UHFFFAOYSA-N 1 1 278.355 3.004 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)CCC)C1 ZINC000193327598 333248114 /nfs/dbraw/zinc/24/81/14/333248114.db2.gz STSNCGXVYNWVJV-HNNXBMFYSA-N 1 1 266.429 3.114 20 30 CGEDMO N#CC1CC[NH+](CCc2c(F)cccc2Cl)CC1 ZINC000195309643 333249833 /nfs/dbraw/zinc/24/98/33/333249833.db2.gz XRAKMJXMEYHGKR-UHFFFAOYSA-N 1 1 266.747 3.257 20 30 CGEDMO C=C1CC[NH+](CC(=O)N[C@H](C)c2ccc(CC)cc2)CC1 ZINC000524676800 333370835 /nfs/dbraw/zinc/37/08/35/333370835.db2.gz LZVRSUKZJCEJND-OAHLLOKOSA-N 1 1 286.419 3.078 20 30 CGEDMO C=CCSCC[NH2+][C@H](c1ncc[nH]1)c1ccccc1 ZINC000127853093 333636803 /nfs/dbraw/zinc/63/68/03/333636803.db2.gz NVFPZWVCGUXBKW-AWEZNQCLSA-N 1 1 273.405 3.008 20 30 CGEDMO CC[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@H](C)O1 ZINC000135216788 334119871 /nfs/dbraw/zinc/11/98/71/334119871.db2.gz RIBWGOPVASHXNB-GOEBONIOSA-N 1 1 286.419 3.487 20 30 CGEDMO C=CCN[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000549166985 334186903 /nfs/dbraw/zinc/18/69/03/334186903.db2.gz WPLMDUPEOXCCLG-VQTJNVASSA-N 1 1 292.426 3.430 20 30 CGEDMO C=CCN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000549166985 334186904 /nfs/dbraw/zinc/18/69/04/334186904.db2.gz WPLMDUPEOXCCLG-VQTJNVASSA-N 1 1 292.426 3.430 20 30 CGEDMO CC(C)CCO[C@@H]1CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000083247467 334256061 /nfs/dbraw/zinc/25/60/61/334256061.db2.gz GCFDQFXTINSLRK-OAHLLOKOSA-N 1 1 266.429 3.453 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)c1 ZINC000552423020 334326330 /nfs/dbraw/zinc/32/63/30/334326330.db2.gz NKRHPHWJCCIHOK-OALUTQOASA-N 1 1 299.414 3.395 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)c1 ZINC000552423020 334326331 /nfs/dbraw/zinc/32/63/31/334326331.db2.gz NKRHPHWJCCIHOK-OALUTQOASA-N 1 1 299.414 3.395 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)cc1Cl ZINC000249769035 334340210 /nfs/dbraw/zinc/34/02/10/334340210.db2.gz BKTLOOAMNPAERR-SWLSCSKDSA-N 1 1 295.810 3.108 20 30 CGEDMO C=C(C)COCCNC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000090451435 334361404 /nfs/dbraw/zinc/36/14/04/334361404.db2.gz ZVPSTKFJWBAIGS-FUHWJXTLSA-N 1 1 294.483 3.212 20 30 CGEDMO CC[N@@H+](C[C@@H]1CCCC[C@H]1O)[C@H](C)c1ccc(C#N)cc1 ZINC000576456009 335205272 /nfs/dbraw/zinc/20/52/72/335205272.db2.gz QBQQHTZCUIDQCU-FHLIZLRMSA-N 1 1 286.419 3.492 20 30 CGEDMO C[N@@H+](CCC1CCCCC1)Cc1cnc2c(C#N)cnn2c1 ZINC000577111848 335302094 /nfs/dbraw/zinc/30/20/94/335302094.db2.gz UJXINPQRZBIGHS-UHFFFAOYSA-N 1 1 297.406 3.003 20 30 CGEDMO C[C@]1(c2ccccc2)CC[N@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000577127378 335305804 /nfs/dbraw/zinc/30/58/04/335305804.db2.gz GLVMJVCJPIHNGS-XIRDDKMYSA-N 1 1 254.377 3.342 20 30 CGEDMO C=CCCCC[N@@H+]1C[C@@H](CC)N(C(C)=O)C[C@H]1CC ZINC000577340326 335340341 /nfs/dbraw/zinc/34/03/41/335340341.db2.gz YPSVWHUWRYGLEV-HZPDHXFCSA-N 1 1 266.429 3.064 20 30 CGEDMO C[C@H]([NH2+]Cc1cccc2c1OCO2)c1ccc(C#N)cc1F ZINC000358568340 533932772 /nfs/dbraw/zinc/93/27/72/533932772.db2.gz KSGHGJFGWGYAMB-NSHDSACASA-N 1 1 298.317 3.277 20 30 CGEDMO C[C@H](C[N@H+](CCCCC#N)[C@@H](C)CO)c1ccccc1 ZINC000347450537 534035189 /nfs/dbraw/zinc/03/51/89/534035189.db2.gz KOQCGBOJSKXEDT-CVEARBPZSA-N 1 1 274.408 3.167 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)Cc2cccnc2)cc1OC ZINC000183656690 519031897 /nfs/dbraw/zinc/03/18/97/519031897.db2.gz XIMGVIJHURBOIZ-UHFFFAOYSA-N 1 1 298.386 3.287 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)Cc2ccncc2)cc1OC ZINC000183740200 519032679 /nfs/dbraw/zinc/03/26/79/519032679.db2.gz WHGYLZJDZXVPML-UHFFFAOYSA-N 1 1 298.386 3.287 20 30 CGEDMO CC(C)CCO[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000083248028 519671495 /nfs/dbraw/zinc/67/14/95/519671495.db2.gz FKEVNUQPHJHULG-QGZVFWFLSA-N 1 1 272.392 3.195 20 30 CGEDMO Cc1nc(NCC[N@@H+]2CCC[C@@H](C)C2)c(Cl)cc1C#N ZINC000359871405 534491402 /nfs/dbraw/zinc/49/14/02/534491402.db2.gz GNCPSYIMXIQYFF-LLVKDONJSA-N 1 1 292.814 3.059 20 30 CGEDMO COc1ccc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)cc1C#N ZINC000088420302 524028881 /nfs/dbraw/zinc/02/88/81/524028881.db2.gz GEMRYWISGKKHAB-ZDUSSCGKSA-N 1 1 298.308 3.341 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)cc1C#N ZINC000088420302 524028882 /nfs/dbraw/zinc/02/88/82/524028882.db2.gz GEMRYWISGKKHAB-ZDUSSCGKSA-N 1 1 298.308 3.341 20 30 CGEDMO C[C@@H](C[N@@H+](C)Cc1cccc(C#N)c1)c1nccs1 ZINC000183924599 524574261 /nfs/dbraw/zinc/57/42/61/524574261.db2.gz OHNSXRSAPQOXJB-LBPRGKRZSA-N 1 1 271.389 3.250 20 30 CGEDMO N#Cc1ccc(SCC[N@@H+]2CCCOCC2)c(Cl)c1 ZINC000413002084 534798054 /nfs/dbraw/zinc/79/80/54/534798054.db2.gz SRKQLDNCJAZSIV-UHFFFAOYSA-N 1 1 296.823 3.026 20 30 CGEDMO N#Cc1ccc(SCC[N@H+]2CCCOCC2)c(Cl)c1 ZINC000413002084 534798057 /nfs/dbraw/zinc/79/80/57/534798057.db2.gz SRKQLDNCJAZSIV-UHFFFAOYSA-N 1 1 296.823 3.026 20 30 CGEDMO C[C@@H](c1cccnc1)[N@H+](C)Cc1ccc(C#N)s1 ZINC000183728325 526119804 /nfs/dbraw/zinc/11/98/04/526119804.db2.gz MBUKMOBUXWZPAA-NSHDSACASA-N 1 1 257.362 3.208 20 30 CGEDMO C[C@@H](c1cccnc1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000183728325 526119808 /nfs/dbraw/zinc/11/98/08/526119808.db2.gz MBUKMOBUXWZPAA-NSHDSACASA-N 1 1 257.362 3.208 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)CC1(O)CCC(C)CC1 ZINC000352702519 526325048 /nfs/dbraw/zinc/32/50/48/526325048.db2.gz YIAPDDVNIATONH-UHFFFAOYSA-N 1 1 277.408 3.251 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1cn2c(cccc2C)n1 ZINC000352702288 526327840 /nfs/dbraw/zinc/32/78/40/526327840.db2.gz VKLYGBZKBVMRAN-UHFFFAOYSA-N 1 1 295.386 3.466 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cn2c(cccc2C)n1 ZINC000352702288 526327842 /nfs/dbraw/zinc/32/78/42/526327842.db2.gz VKLYGBZKBVMRAN-UHFFFAOYSA-N 1 1 295.386 3.466 20 30 CGEDMO C=CCN(Cc1ccccc1)c1[nH+]cnc2[nH]ccc21 ZINC000351889148 526358770 /nfs/dbraw/zinc/35/87/70/526358770.db2.gz QTFGYNXDHWXKBP-UHFFFAOYSA-N 1 1 264.332 3.151 20 30 CGEDMO C=C(C)CC[N@@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000347313677 526441883 /nfs/dbraw/zinc/44/18/83/526441883.db2.gz GBEBWPHUPCDYPR-LSDHHAIUSA-N 1 1 277.433 3.453 20 30 CGEDMO C=CC[N@@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000347710273 526456054 /nfs/dbraw/zinc/45/60/54/526456054.db2.gz SMEOVDMDAOQCHW-UHFFFAOYSA-N 1 1 250.773 3.038 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@H]1CCC(C)(C)O1 ZINC000352802997 526560663 /nfs/dbraw/zinc/56/06/63/526560663.db2.gz XKIRETXCRUYQPM-OAHLLOKOSA-N 1 1 293.407 3.108 20 30 CGEDMO C=CCOCCC[N@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000347260030 526759077 /nfs/dbraw/zinc/75/90/77/526759077.db2.gz ZWXNNXIXUPPVBO-HOCLYGCPSA-N 1 1 260.381 3.057 20 30 CGEDMO C=C1CC[NH+]([C@@H](C)c2nnc(-c3ccccc3)o2)CC1 ZINC000336617449 526907546 /nfs/dbraw/zinc/90/75/46/526907546.db2.gz OJXQOHBJVIZACH-ZDUSSCGKSA-N 1 1 269.348 3.450 20 30 CGEDMO C=CCC(C)(C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000352546068 527012478 /nfs/dbraw/zinc/01/24/78/527012478.db2.gz OZXFDTHQBLDVJP-HNNXBMFYSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CCCCC1 ZINC000336209393 527049197 /nfs/dbraw/zinc/04/91/97/527049197.db2.gz LMESACGEKMOBHV-CVEARBPZSA-N 1 1 290.451 3.208 20 30 CGEDMO CC(=O)c1ccc(C#N)c(NCCCC[N@H+](C)C2CC2)c1 ZINC000413346724 527224858 /nfs/dbraw/zinc/22/48/58/527224858.db2.gz IXVBMQWIRAJCQX-UHFFFAOYSA-N 1 1 285.391 3.047 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1C[C@@H](N2CCCC2)C[C@H]1C ZINC000352792543 527275790 /nfs/dbraw/zinc/27/57/90/527275790.db2.gz MGROGHCSWIIVTN-XHSDSOJGSA-N 1 1 250.430 3.290 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nc2cccnc2s1 ZINC000334708923 527605865 /nfs/dbraw/zinc/60/58/65/527605865.db2.gz RMEODRWUCJDHKC-NSHDSACASA-N 1 1 259.378 3.232 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1nc2cccnc2s1 ZINC000334708923 527605869 /nfs/dbraw/zinc/60/58/69/527605869.db2.gz RMEODRWUCJDHKC-NSHDSACASA-N 1 1 259.378 3.232 20 30 CGEDMO CC(C)[C@]1(CO)CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000354565730 527990482 /nfs/dbraw/zinc/99/04/82/527990482.db2.gz LKKDZUYHTMMDPQ-MRXNPFEDSA-N 1 1 266.429 3.047 20 30 CGEDMO CC[N@@H+](CC[C@@H]1CCOC1)[C@H](C)c1ccc(C#N)cc1 ZINC000437577379 528585400 /nfs/dbraw/zinc/58/54/00/528585400.db2.gz JWOOYGCTUZZXBD-GDBMZVCRSA-N 1 1 272.392 3.368 20 30 CGEDMO CCC(C)(C)[C@@H]1CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000356112713 528598318 /nfs/dbraw/zinc/59/83/18/528598318.db2.gz PAGUJIQVDKSEMR-LBPRGKRZSA-N 1 1 263.410 3.415 20 30 CGEDMO CC(C)n1ncc2c1[C@H]([NH2+]Cc1ccc(C#N)o1)CCC2 ZINC000368149531 528657504 /nfs/dbraw/zinc/65/75/04/528657504.db2.gz TXHYMTIWTVOQPJ-OAHLLOKOSA-N 1 1 284.363 3.096 20 30 CGEDMO CC1(C)C[N@@H+](Cc2nc(C#N)cs2)[C@H]2CCC[C@H]21 ZINC000334234600 529125331 /nfs/dbraw/zinc/12/53/31/529125331.db2.gz ZZYCWAPUDSHBFP-NEPJUHHUSA-N 1 1 261.394 3.025 20 30 CGEDMO C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])CC1CCCCC1 ZINC000459288116 536453019 /nfs/dbraw/zinc/45/30/19/536453019.db2.gz GDVYVXOTNKLQRT-UHFFFAOYSA-N 1 1 287.363 3.479 20 30 CGEDMO C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])CC1CCCCC1 ZINC000459288116 536453018 /nfs/dbraw/zinc/45/30/18/536453018.db2.gz GDVYVXOTNKLQRT-UHFFFAOYSA-N 1 1 287.363 3.479 20 30 CGEDMO C=C1CC[NH+](CC(=O)N[C@@H](C)CCCCCC)CC1 ZINC000731032418 572392572 /nfs/dbraw/zinc/39/25/72/572392572.db2.gz JNVMZOLKZGPFBX-HNNXBMFYSA-N 1 1 266.429 3.114 20 30 CGEDMO CC(=O)Nc1cccc(C[N@@H+](CCC#N)CC(C)C)c1 ZINC000739914340 572426907 /nfs/dbraw/zinc/42/69/07/572426907.db2.gz IVJOGLCIDKAYFB-UHFFFAOYSA-N 1 1 273.380 3.017 20 30 CGEDMO CC(=O)Nc1cccc(C[N@H+](CCC#N)CC(C)C)c1 ZINC000739914340 572426912 /nfs/dbraw/zinc/42/69/12/572426912.db2.gz IVJOGLCIDKAYFB-UHFFFAOYSA-N 1 1 273.380 3.017 20 30 CGEDMO CCCCCCC[N@@H+](C)Cc1ccc(S(C)(=O)=O)cc1 ZINC000740887134 572466589 /nfs/dbraw/zinc/46/65/89/572466589.db2.gz LYGWGWIZHPOGRR-UHFFFAOYSA-N 1 1 297.464 3.492 20 30 CGEDMO CC[N@H+]1CCC(N=Nc2nc3ccccc3s2)[C@H](C)C1 ZINC000741451483 572498910 /nfs/dbraw/zinc/49/89/10/572498910.db2.gz PUWFHZBSNCTWDJ-LLVKDONJSA-N 1 1 288.420 3.426 20 30 CGEDMO C#CC[N@H+](CCCOC(C)C)[C@H]1CCc2ccccc21 ZINC000741776544 572526137 /nfs/dbraw/zinc/52/61/37/572526137.db2.gz LTRJEDWLZRTILU-SFHVURJKSA-N 1 1 271.404 3.424 20 30 CGEDMO COc1ccc(C)cc1C[NH2+]Cc1cc(C#N)ccc1F ZINC000742381709 572573002 /nfs/dbraw/zinc/57/30/02/572573002.db2.gz FFVJWZUYGOUDLM-UHFFFAOYSA-N 1 1 284.334 3.304 20 30 CGEDMO CCCCCCCCCNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000734264468 572640921 /nfs/dbraw/zinc/64/09/21/572640921.db2.gz WMQJAJOMEKEEBR-OAHLLOKOSA-N 1 1 295.471 3.273 20 30 CGEDMO C[C@H]([NH2+]Cc1cccnc1Cl)c1cccc(C#N)c1 ZINC000743495685 572666618 /nfs/dbraw/zinc/66/66/18/572666618.db2.gz HSHZBSVFFSGNAU-NSHDSACASA-N 1 1 271.751 3.457 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000735490905 572726017 /nfs/dbraw/zinc/72/60/17/572726017.db2.gz UZFLJHBSLDNMBE-AWEZNQCLSA-N 1 1 282.428 3.332 20 30 CGEDMO C#CC[N@H+](CC)Cc1cc(Cl)cc2cccnc21 ZINC000746457614 572873135 /nfs/dbraw/zinc/87/31/35/572873135.db2.gz MODBKQSSKCVCJT-UHFFFAOYSA-N 1 1 258.752 3.343 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC1=NOCc1cccnc1 ZINC000746586335 572882801 /nfs/dbraw/zinc/88/28/01/572882801.db2.gz WKXDRRBIWLEWIG-OAHLLOKOSA-N 1 1 295.386 3.106 20 30 CGEDMO C[N@@H+](CCCNC(=O)OC(C)(C)C)CCCC(C)(C)C#N ZINC000746671349 572890787 /nfs/dbraw/zinc/89/07/87/572890787.db2.gz JBIZQYFSMAIVMJ-UHFFFAOYSA-N 1 1 297.443 3.163 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]Cc1cccc(F)n1 ZINC000747935751 572955741 /nfs/dbraw/zinc/95/57/41/572955741.db2.gz LBMRVMRWJDSLMT-UHFFFAOYSA-N 1 1 272.323 3.075 20 30 CGEDMO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000749840634 573045733 /nfs/dbraw/zinc/04/57/33/573045733.db2.gz NOWKGXTZPFQDJH-NSHDSACASA-N 1 1 299.305 3.456 20 30 CGEDMO C=CCCCCC[N@H+](C)CN1C(=O)[C@@H]2CCCCC[C@H]21 ZINC000749955931 573067958 /nfs/dbraw/zinc/06/79/58/573067958.db2.gz VJRXZDPAUSTUPC-HZPDHXFCSA-N 1 1 278.440 3.413 20 30 CGEDMO C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)C1=CCCC1 ZINC000968808993 613251170 /nfs/dbraw/zinc/25/11/70/613251170.db2.gz CJVBCBZEPPLDHB-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)C[C@H]2CC=CCC2)CC1 ZINC000981760039 613253001 /nfs/dbraw/zinc/25/30/01/613253001.db2.gz FZIABNXFWVWUOY-KRWDZBQOSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccoc2)CC1 ZINC000948188780 613256489 /nfs/dbraw/zinc/25/64/89/613256489.db2.gz HGTDOTRHPKFAGT-MRXNPFEDSA-N 1 1 290.407 3.172 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)C)C1 ZINC000963258503 613257326 /nfs/dbraw/zinc/25/73/26/613257326.db2.gz HIHPDSMYJRZCEH-SJORKVTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)C(C)(C)C2CC2)C(C)(C)C1 ZINC000974964958 613273865 /nfs/dbraw/zinc/27/38/65/613273865.db2.gz YJDRQUACBGOUEG-OAHLLOKOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CCCC2(CN(C(=O)c3ccccc3C)C2)C1 ZINC000981595262 613305992 /nfs/dbraw/zinc/30/59/92/613305992.db2.gz NAOMZHJRVFZGQK-UHFFFAOYSA-N 1 1 298.430 3.109 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1occc1C ZINC000968750180 613306556 /nfs/dbraw/zinc/30/65/56/613306556.db2.gz GSEXWNNYFOPGLD-OAHLLOKOSA-N 1 1 290.407 3.139 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)C1CC(C)(C)C1 ZINC000968846451 613306655 /nfs/dbraw/zinc/30/66/55/613306655.db2.gz LGBQXPCJYUNWEF-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)C2(C)CC(=C)C2)CC1 ZINC000948753740 613314600 /nfs/dbraw/zinc/31/46/00/613314600.db2.gz PFQKUHFZMGVELU-INIZCTEOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)C2CCCCCCC2)CC1 ZINC000949226869 613315907 /nfs/dbraw/zinc/31/59/07/613315907.db2.gz NZXJIJKVRGJFLD-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2=CCCCCC2)[C@H](C)C1 ZINC000941991267 613326719 /nfs/dbraw/zinc/32/67/19/613326719.db2.gz DSKJMBCQWQAPPU-NVXWUHKLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)C[C@H]1C ZINC000947949637 613328615 /nfs/dbraw/zinc/32/86/15/613328615.db2.gz YLSLQUGGVIOVOY-QBPKDAKJSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@@H](C)C1 ZINC000944225912 613328773 /nfs/dbraw/zinc/32/87/73/613328773.db2.gz FQZXHDJCOFZQLQ-LUKYLMHMSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2(C)CCCCC2)C1 ZINC000968188892 613333518 /nfs/dbraw/zinc/33/35/18/613333518.db2.gz DVOPCJXDNRFXNC-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2=CCCCCC2)C1 ZINC000965945820 613333543 /nfs/dbraw/zinc/33/35/43/613333543.db2.gz BYCIGCXQOAGCNW-DOTOQJQBSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)C2CCC2)[C@@H](C)C1 ZINC000942535615 613334476 /nfs/dbraw/zinc/33/44/76/613334476.db2.gz LQSWCGPIUNHDJM-HOCLYGCPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2C(C)(C)C2(C)C)C[C@H]1C ZINC000947174416 613334757 /nfs/dbraw/zinc/33/47/57/613334757.db2.gz KYVBYLUMBQILEO-KGLIPLIRSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@H](C)C1 ZINC000944225915 613335723 /nfs/dbraw/zinc/33/57/23/613335723.db2.gz FQZXHDJCOFZQLQ-VQHPVUNQSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2CC)CC1 ZINC000948796657 613374358 /nfs/dbraw/zinc/37/43/58/613374358.db2.gz NQQCBRFNAPTDNI-QLFBSQMISA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCC)C1 ZINC000963245448 613374530 /nfs/dbraw/zinc/37/45/30/613374530.db2.gz XWABZJAGGUOISP-CABCVRRESA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C2CC2)[C@H](C)C1 ZINC000942572032 613375927 /nfs/dbraw/zinc/37/59/27/613375927.db2.gz MLMKVRIFEKIZLQ-BXUZGUMPSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C2CC2)[C@H](C)C1 ZINC000942572032 613375928 /nfs/dbraw/zinc/37/59/28/613375928.db2.gz MLMKVRIFEKIZLQ-BXUZGUMPSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C2CC2)[C@@H](C)C1 ZINC000942572033 613378023 /nfs/dbraw/zinc/37/80/23/613378023.db2.gz MLMKVRIFEKIZLQ-FZMZJTMJSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)(C)C2CC2)[C@@H](C)C1 ZINC000942572033 613378024 /nfs/dbraw/zinc/37/80/24/613378024.db2.gz MLMKVRIFEKIZLQ-FZMZJTMJSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC2CCC2)C(C)(C)C1 ZINC000940634303 613378494 /nfs/dbraw/zinc/37/84/94/613378494.db2.gz JDFYDIBRFYOLJU-AWEZNQCLSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC2CCC2)C(C)(C)C1 ZINC000940634303 613378495 /nfs/dbraw/zinc/37/84/95/613378495.db2.gz JDFYDIBRFYOLJU-AWEZNQCLSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](CC(C)C)CC2(C)C)C1 ZINC000941008250 613396612 /nfs/dbraw/zinc/39/66/12/613396612.db2.gz LGHCBNYZLJCUPV-OAHLLOKOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CCC)C1 ZINC000963341780 613432261 /nfs/dbraw/zinc/43/22/61/613432261.db2.gz YVYRXSODRLHKNU-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)CC2CCCCC2)C1 ZINC000972080448 613434688 /nfs/dbraw/zinc/43/46/88/613434688.db2.gz UFZRJJAPXUKWRH-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1coc(C)c1 ZINC000968821900 613490622 /nfs/dbraw/zinc/49/06/22/613490622.db2.gz JCUVWSHADQHKQA-MRXNPFEDSA-N 1 1 290.407 3.139 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2CC(C)(C)C)CC1 ZINC000981197509 613494232 /nfs/dbraw/zinc/49/42/32/613494232.db2.gz FJRCIOIXGZDVNX-JKSUJKDBSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)C2CC(C)(C)C2)CC1 ZINC000948350252 613499847 /nfs/dbraw/zinc/49/98/47/613499847.db2.gz XEAKWJFICNYBLB-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CCC)CC2)C1 ZINC000961321383 613500317 /nfs/dbraw/zinc/50/03/17/613500317.db2.gz NTJKFGGPMHQTIO-KRWDZBQOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCC)C1 ZINC000963245576 613501704 /nfs/dbraw/zinc/50/17/04/613501704.db2.gz YIPZAZAWXJUJGS-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC2CC2)C1 ZINC000963246499 613502447 /nfs/dbraw/zinc/50/24/47/613502447.db2.gz IGNSWTVBDGBUOO-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C=C)cc2)C1 ZINC000968345365 613515890 /nfs/dbraw/zinc/51/58/90/613515890.db2.gz KJHJYEUBUQHRQV-QAPCUYQASA-N 1 1 298.430 3.346 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc(C)cs2)C1 ZINC000965999883 613517456 /nfs/dbraw/zinc/51/74/56/613517456.db2.gz HYTWPEUCIRVEBU-ZIAGYGMSSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2occc2Cl)C[C@H]1C ZINC000947686215 613528162 /nfs/dbraw/zinc/52/81/62/613528162.db2.gz VLZAZFLAIIVQMO-VXGBXAGGSA-N 1 1 296.798 3.092 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2(F)CCCCC2)C1 ZINC000968504130 613531030 /nfs/dbraw/zinc/53/10/30/613531030.db2.gz DXZCZJIJDPZPSS-LSDHHAIUSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2(C)CC=CC2)C(C)(C)C1 ZINC000941001845 613533248 /nfs/dbraw/zinc/53/32/48/613533248.db2.gz AOHAPQSBTXYLSB-HNNXBMFYSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2CCC(=C)CC2)C[C@H]1C ZINC000947684517 613534765 /nfs/dbraw/zinc/53/47/65/613534765.db2.gz IQROVKQPSKPXSR-WBVHZDCISA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC=CCC2)C(C)(C)C1 ZINC000974917248 613544420 /nfs/dbraw/zinc/54/44/20/613544420.db2.gz PUXGUZSKBIRWBM-JKSUJKDBSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2CCC(C)(C)CC2)C1 ZINC000968693415 613732975 /nfs/dbraw/zinc/73/29/75/613732975.db2.gz ZDQCHMVNVYHEHC-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc3occc3c2)[C@H](C)C1 ZINC000942073599 613753243 /nfs/dbraw/zinc/75/32/43/613753243.db2.gz QIWAXJGDCVROIA-CZUORRHYSA-N 1 1 298.386 3.059 20 30 CGEDMO C=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2sccc2Cl)C1 ZINC000966262461 613776084 /nfs/dbraw/zinc/77/60/84/613776084.db2.gz KLPKJTODQUGCRS-CMPLNLGQSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2sccc2Cl)C1 ZINC000966262461 613776087 /nfs/dbraw/zinc/77/60/87/613776087.db2.gz KLPKJTODQUGCRS-CMPLNLGQSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2=CCCCCC2)C[C@H]1C ZINC000947240645 613780211 /nfs/dbraw/zinc/78/02/11/613780211.db2.gz QPLIQJBUZYUZHG-ZBFHGGJFSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)C2CCC=CCC2)C(C)(C)C1 ZINC000941226217 613781054 /nfs/dbraw/zinc/78/10/54/613781054.db2.gz MJJLRCYFGHXVCB-INIZCTEOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)[C@@]2(C)CC=CCC2)C(C)(C)C1 ZINC000940763077 613784502 /nfs/dbraw/zinc/78/45/02/613784502.db2.gz CDHOZMDZHAGEJK-YJBOKZPZSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C)c2C)C[C@@H]1C ZINC000947993597 613791138 /nfs/dbraw/zinc/79/11/38/613791138.db2.gz DQTJAPHFMZGELO-HOCLYGCPSA-N 1 1 286.419 3.072 20 30 CGEDMO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)C(C)C)C[C@@]2(C)C1 ZINC000982287873 613821501 /nfs/dbraw/zinc/82/15/01/613821501.db2.gz NJJRVMKQKHKEFN-HDICACEKSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)[C@@]2(C)CC=C(C)CC2)C(C)(C)C1 ZINC000977635200 613827688 /nfs/dbraw/zinc/82/76/88/613827688.db2.gz ZKLHIEAAJJJQQY-YJBOKZPZSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCC2CC2)C1 ZINC001021549094 618035153 /nfs/dbraw/zinc/03/51/53/618035153.db2.gz WIHCAUSMDSGOQJ-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)/C(C)=C\C)C1 ZINC001021553376 618037856 /nfs/dbraw/zinc/03/78/56/618037856.db2.gz HMYLBSWUPPGMQP-MNOKXIHHSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(C)c1cccc(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)c1 ZINC000890890088 617892128 /nfs/dbraw/zinc/89/21/28/617892128.db2.gz ISSHERNXBIQRNG-OAHLLOKOSA-N 1 1 295.386 3.426 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccccc2C)C1 ZINC001021510300 618017453 /nfs/dbraw/zinc/01/74/53/618017453.db2.gz YDTGZZRJTRWONJ-SJLPKXTDSA-N 1 1 298.430 3.108 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C=C(C)C)C1 ZINC001021509981 618017529 /nfs/dbraw/zinc/01/75/29/618017529.db2.gz DSJXCMXZUDDCJH-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC2CCC2)C1 ZINC001021550612 618036146 /nfs/dbraw/zinc/03/61/46/618036146.db2.gz IVXBMEJLBTWBHH-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCC2CCC2)C1 ZINC001021554229 618038583 /nfs/dbraw/zinc/03/85/83/618038583.db2.gz LOQJXTPPVJOVAG-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC1(CC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC000933447132 618232976 /nfs/dbraw/zinc/23/29/76/618232976.db2.gz UVPGYQZUNCEKHM-JKSUJKDBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@@H+](Cc1cn(CC)nc1C)Cc1ccc(OC)cc1 ZINC000891747073 618273540 /nfs/dbraw/zinc/27/35/40/618273540.db2.gz GZNXNZLVKSXMEN-UHFFFAOYSA-N 1 1 299.418 3.408 20 30 CGEDMO C=CC[N@H+](Cc1cn(CC)nc1C)Cc1ccc(OC)cc1 ZINC000891747073 618273546 /nfs/dbraw/zinc/27/35/46/618273546.db2.gz GZNXNZLVKSXMEN-UHFFFAOYSA-N 1 1 299.418 3.408 20 30 CGEDMO N#Cc1cc(C[NH+]2CCC(C(F)F)CC2)cs1 ZINC000892058017 618509594 /nfs/dbraw/zinc/50/95/94/618509594.db2.gz PSXYKYYMGXESIS-UHFFFAOYSA-N 1 1 256.321 3.097 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000892068687 618516313 /nfs/dbraw/zinc/51/63/13/618516313.db2.gz BNVYFIRHYJPIQY-CABCVRRESA-N 1 1 285.403 3.298 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1ccc(C(=O)OC)c(Cl)c1 ZINC000934458792 618623136 /nfs/dbraw/zinc/62/31/36/618623136.db2.gz DLYVDVNVALVTOY-LBPRGKRZSA-N 1 1 279.767 3.277 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1CC(=O)Nc1c(C)cc(C)cc1C ZINC000934464596 618625413 /nfs/dbraw/zinc/62/54/13/618625413.db2.gz GDGCIYRDRJOZOM-OAHLLOKOSA-N 1 1 272.392 3.201 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1CC(=O)Nc1c(C)cc(C)cc1C ZINC000934464596 618625416 /nfs/dbraw/zinc/62/54/16/618625416.db2.gz GDGCIYRDRJOZOM-OAHLLOKOSA-N 1 1 272.392 3.201 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1csc(-c2cnn(C)c2)n1 ZINC000934649350 618665022 /nfs/dbraw/zinc/66/50/22/618665022.db2.gz SLZKNBRWQVCJFL-UHFFFAOYSA-N 1 1 290.436 3.332 20 30 CGEDMO C#CCCNc1cc[nH+]c2ccc(Br)cc12 ZINC000309360980 618671491 /nfs/dbraw/zinc/67/14/91/618671491.db2.gz OQHDKYDFLALJHS-UHFFFAOYSA-N 1 1 275.149 3.433 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000934766391 618685598 /nfs/dbraw/zinc/68/55/98/618685598.db2.gz PHUNKVHPKJJJOF-CVEARBPZSA-N 1 1 272.417 3.052 20 30 CGEDMO C=CCc1cc(C[N@H+]2CC[C@@H](C)[C@@H]2C)c(O)c(OC)c1 ZINC000246398389 618722348 /nfs/dbraw/zinc/72/23/48/618722348.db2.gz HTGQLCYPPJNZLD-OLZOCXBDSA-N 1 1 275.392 3.360 20 30 CGEDMO CCOc1cc(C#N)ccc1OCC[C@@H]1CCCC[N@H+]1C ZINC000219337391 618728312 /nfs/dbraw/zinc/72/83/12/618728312.db2.gz GSNDVKYIGZVCRA-HNNXBMFYSA-N 1 1 288.391 3.210 20 30 CGEDMO CCC[N@@H+](Cc1cn(C)nc1CC)Cc1ccc(C#N)cc1 ZINC000179721384 618800058 /nfs/dbraw/zinc/80/00/58/618800058.db2.gz HUPWLDJGHHGUJM-UHFFFAOYSA-N 1 1 296.418 3.266 20 30 CGEDMO C#C[C@H]([NH2+]Cc1c(F)cccc1Br)C(C)C ZINC000309350692 618860662 /nfs/dbraw/zinc/86/06/62/618860662.db2.gz MRNHBRKAWIDEBK-ZDUSSCGKSA-N 1 1 284.172 3.336 20 30 CGEDMO C[C@H]1[C@H](N2CCCC2)CC[N@@H+]1CCCCC1(C#N)CCC1 ZINC000930482125 619001494 /nfs/dbraw/zinc/00/14/94/619001494.db2.gz KKLNFHMAEVYKTQ-DLBZAZTESA-N 1 1 289.467 3.409 20 30 CGEDMO C[C@H]1[C@H](N2CCCC2)CC[N@H+]1CCCCC1(C#N)CCC1 ZINC000930482125 619001497 /nfs/dbraw/zinc/00/14/97/619001497.db2.gz KKLNFHMAEVYKTQ-DLBZAZTESA-N 1 1 289.467 3.409 20 30 CGEDMO CC[N@H+](Cc1cc(Cl)cc(C#N)c1)C[C@H](C)OC ZINC000930539953 619012778 /nfs/dbraw/zinc/01/27/78/619012778.db2.gz PCBVOXRYSQDKDK-NSHDSACASA-N 1 1 266.772 3.068 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000930601560 619028091 /nfs/dbraw/zinc/02/80/91/619028091.db2.gz IKWMVFLEMLNYQW-LJQANCHMSA-N 1 1 297.446 3.093 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000930601560 619028093 /nfs/dbraw/zinc/02/80/93/619028093.db2.gz IKWMVFLEMLNYQW-LJQANCHMSA-N 1 1 297.446 3.093 20 30 CGEDMO COC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000930666802 619052047 /nfs/dbraw/zinc/05/20/47/619052047.db2.gz XIOQGBRIWFAWTL-HNNXBMFYSA-N 1 1 278.783 3.213 20 30 CGEDMO CC1(C)C[C@@H](NC2(c3cccc(C#N)c3)CC2)C[C@@H]([NH3+])C1 ZINC000925632399 619098188 /nfs/dbraw/zinc/09/81/88/619098188.db2.gz BOGKTPSUGVWONJ-CVEARBPZSA-N 1 1 283.419 3.043 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1 ZINC001008762146 619159179 /nfs/dbraw/zinc/15/91/79/619159179.db2.gz SLPCIFVSYHTHIX-DAYGRLMNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001009152353 619167999 /nfs/dbraw/zinc/16/79/99/619167999.db2.gz KFNAAXDDADJXDK-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000893550913 619221010 /nfs/dbraw/zinc/22/10/10/619221010.db2.gz INGYKXVLQVKJEC-UHFFFAOYSA-N 1 1 256.271 3.403 20 30 CGEDMO Cc1oc(C(C)(C)C)cc1C[NH2+]Cc1ccc(C#N)cn1 ZINC000893865834 619324592 /nfs/dbraw/zinc/32/45/92/619324592.db2.gz DIOABUYMUBMYMK-UHFFFAOYSA-N 1 1 283.375 3.442 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000034674169 619375691 /nfs/dbraw/zinc/37/56/91/619375691.db2.gz XNDVUVRHKKCTCH-GASCZTMLSA-N 1 1 272.392 3.305 20 30 CGEDMO CCCCCCCCC[N@H+]1CCN(C[C@@H](C)O)C[C@H]1C ZINC000249263791 619384511 /nfs/dbraw/zinc/38/45/11/619384511.db2.gz HRKTWQJASFSJEE-IAGOWNOFSA-N 1 1 284.488 3.124 20 30 CGEDMO CCCCCCCCCN1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000249263791 619384514 /nfs/dbraw/zinc/38/45/14/619384514.db2.gz HRKTWQJASFSJEE-IAGOWNOFSA-N 1 1 284.488 3.124 20 30 CGEDMO CCCCCCCCCN1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000249263791 619384516 /nfs/dbraw/zinc/38/45/16/619384516.db2.gz HRKTWQJASFSJEE-IAGOWNOFSA-N 1 1 284.488 3.124 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)cs1 ZINC000894485010 619551408 /nfs/dbraw/zinc/55/14/08/619551408.db2.gz JQLLLCFGNOXTIO-KBPBESRZSA-N 1 1 290.432 3.258 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2c(C)nn(C(C)C)c2C)C1 ZINC000895101484 619729648 /nfs/dbraw/zinc/72/96/48/619729648.db2.gz MKCSRHUTFHUHMY-MRXNPFEDSA-N 1 1 273.424 3.316 20 30 CGEDMO CC(C)Cc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cn1 ZINC000895313318 619804375 /nfs/dbraw/zinc/80/43/75/619804375.db2.gz FWGLBVWZRQGNLF-OAHLLOKOSA-N 1 1 271.408 3.406 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@H](CF)C2)cc1 ZINC000895546655 619848458 /nfs/dbraw/zinc/84/84/58/619848458.db2.gz RXWBICONPRQSCP-MRXNPFEDSA-N 1 1 289.398 3.218 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)cs1 ZINC000895578360 619855901 /nfs/dbraw/zinc/85/59/01/619855901.db2.gz JAGLZINITMRNIC-NEPJUHHUSA-N 1 1 264.419 3.090 20 30 CGEDMO C=C[C@H](CC)CC(=O)OCCCCn1cc[nH+]c1C ZINC000909525618 619859744 /nfs/dbraw/zinc/85/97/44/619859744.db2.gz QBZJSWHQSSILIS-CQSZACIVSA-N 1 1 264.369 3.117 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000895717519 619874619 /nfs/dbraw/zinc/87/46/19/619874619.db2.gz SCSYGJMFHRDHJM-DOTOQJQBSA-N 1 1 278.440 3.455 20 30 CGEDMO C[C@H]1[C@H](Nc2ccc(C#N)cc2C(F)(F)F)CC[N@H+]1C ZINC000895739574 619878600 /nfs/dbraw/zinc/87/86/00/619878600.db2.gz HCBQMHRMVASSSQ-JOYOIKCWSA-N 1 1 283.297 3.082 20 30 CGEDMO CC(C)c1[nH+]ccn1CCNc1snc(Cl)c1C#N ZINC000895987358 619921958 /nfs/dbraw/zinc/92/19/58/619921958.db2.gz DQKCXHIPQBOATF-UHFFFAOYSA-N 1 1 295.799 3.100 20 30 CGEDMO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000896505927 620019249 /nfs/dbraw/zinc/01/92/49/620019249.db2.gz QACROHZLWZACAE-INIZCTEOSA-N 1 1 271.408 3.268 20 30 CGEDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000896505927 620019252 /nfs/dbraw/zinc/01/92/52/620019252.db2.gz QACROHZLWZACAE-INIZCTEOSA-N 1 1 271.408 3.268 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)c2ccoc2Cl)CC1 ZINC000985401726 620180710 /nfs/dbraw/zinc/18/07/10/620180710.db2.gz WXFRAHYFDMXTAR-UHFFFAOYSA-N 1 1 296.798 3.046 20 30 CGEDMO C#CC[N@H+](CCSCC)[C@@H]1CCc2ccccc21 ZINC000303748262 620194023 /nfs/dbraw/zinc/19/40/23/620194023.db2.gz GXLWUTWKOKUSTF-MRXNPFEDSA-N 1 1 259.418 3.362 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC([N@@H+](C)CC2CCC2)CC1 ZINC000985620660 620222527 /nfs/dbraw/zinc/22/25/27/620222527.db2.gz AEMZVBSJYCFJGV-GOSISDBHSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)c2ccsc2Cl)CC1 ZINC000985686636 620228905 /nfs/dbraw/zinc/22/89/05/620228905.db2.gz QBPBMQNVFWQJQP-UHFFFAOYSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@]2(CC)C(C)C)CC1 ZINC000985724798 620232124 /nfs/dbraw/zinc/23/21/24/620232124.db2.gz LHPPOABYOKNZES-FUHWJXTLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(Cl)C[N@@H+](Cc1ccc(OC)cc1)C1CC1 ZINC000049975132 620270340 /nfs/dbraw/zinc/27/03/40/620270340.db2.gz QYHFXAKIDWZJPK-UHFFFAOYSA-N 1 1 251.757 3.412 20 30 CGEDMO C=C(Cl)C[N@H+](Cc1ccc(OC)cc1)C1CC1 ZINC000049975132 620270343 /nfs/dbraw/zinc/27/03/43/620270343.db2.gz QYHFXAKIDWZJPK-UHFFFAOYSA-N 1 1 251.757 3.412 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc(Cl)cc1 ZINC000785998850 620393372 /nfs/dbraw/zinc/39/33/72/620393372.db2.gz OMHOHRPOJSXDLX-LSDHHAIUSA-N 1 1 265.784 3.414 20 30 CGEDMO Cc1ccncc1CCC[N@H+](C)Cc1cc(C#N)cs1 ZINC000897625067 620412324 /nfs/dbraw/zinc/41/23/24/620412324.db2.gz BGYRQEKZNXYNJA-UHFFFAOYSA-N 1 1 285.416 3.388 20 30 CGEDMO C=CCCC[N@@H+](CC)Cc1c(Cl)c(C)nn1C ZINC000898244838 620496831 /nfs/dbraw/zinc/49/68/31/620496831.db2.gz RVNHYMRPHLUOTC-UHFFFAOYSA-N 1 1 255.793 3.170 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1c(Cl)c(C)nn1C ZINC000898244838 620496834 /nfs/dbraw/zinc/49/68/34/620496834.db2.gz RVNHYMRPHLUOTC-UHFFFAOYSA-N 1 1 255.793 3.170 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)C2CC(C(C)(C)C)C2)CC1 ZINC000989770961 620524401 /nfs/dbraw/zinc/52/44/01/620524401.db2.gz UJXOZDONTKPAQK-UHFFFAOYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)CC3CCCC3)CCC[C@H]12 ZINC000989921359 620531527 /nfs/dbraw/zinc/53/15/27/620531527.db2.gz HCAKQUPOHFMDGC-WMZOPIPTSA-N 1 1 290.451 3.256 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)C=C3CCC3)CCC[C@@H]12 ZINC000990194110 620537968 /nfs/dbraw/zinc/53/79/68/620537968.db2.gz PHQBBHUJRAAOEG-AEFFLSMTSA-N 1 1 288.435 3.176 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)C3CC(C)C3)CCC[C@H]12 ZINC000990178482 620538400 /nfs/dbraw/zinc/53/84/00/620538400.db2.gz YPXYCGWBCJUTAT-UNGSAITNSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(CCC)s2)C1 ZINC001014587218 620554153 /nfs/dbraw/zinc/55/41/53/620554153.db2.gz OTHLKNLACGLUSP-ZDUSSCGKSA-N 1 1 292.448 3.081 20 30 CGEDMO Cc1ccc(C[NH2+][C@@H]2CCCc3scnc32)cc1C#N ZINC000926962838 620555579 /nfs/dbraw/zinc/55/55/79/620555579.db2.gz NRDYSAJMAICCPQ-CQSZACIVSA-N 1 1 283.400 3.490 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000898516310 620595207 /nfs/dbraw/zinc/59/52/07/620595207.db2.gz PXEIFYGSNSTMCP-OAGGEKHMSA-N 1 1 264.413 3.065 20 30 CGEDMO Cc1[nH+]c(C=NNC2CCC(F)(F)CC2)c2ccccn12 ZINC000901344431 620866972 /nfs/dbraw/zinc/86/69/72/620866972.db2.gz CCXAVNKBLJNMCA-UHFFFAOYSA-N 1 1 292.333 3.144 20 30 CGEDMO C=CCCC[N@H+](CC)Cn1cc(C)cnc1=S ZINC000902669526 621396332 /nfs/dbraw/zinc/39/63/32/621396332.db2.gz OFCHVEHEWDWHBN-UHFFFAOYSA-N 1 1 251.399 3.167 20 30 CGEDMO C=CCCC[N@@H+](CC)Cn1c2c(sc1=O)C[C@H](C)CC2 ZINC000902668391 621396443 /nfs/dbraw/zinc/39/64/43/621396443.db2.gz AAGGFMHYDPVAJP-CYBMUJFWSA-N 1 1 294.464 3.280 20 30 CGEDMO C=CCCC[N@H+](CC)Cn1c2c(sc1=O)C[C@H](C)CC2 ZINC000902668391 621396445 /nfs/dbraw/zinc/39/64/45/621396445.db2.gz AAGGFMHYDPVAJP-CYBMUJFWSA-N 1 1 294.464 3.280 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CCC1)c1cnn(-c2ccccc2)c1 ZINC000903030470 621535100 /nfs/dbraw/zinc/53/51/00/621535100.db2.gz CKPRWDRRRKENLB-AWEZNQCLSA-N 1 1 280.375 3.217 20 30 CGEDMO COc1cccc2c1OCCC[C@@H]2[NH2+]CC(C)(C)C#N ZINC000903101678 621574048 /nfs/dbraw/zinc/57/40/48/621574048.db2.gz KSCIBCJKTZQXDU-ZDUSSCGKSA-N 1 1 274.364 3.048 20 30 CGEDMO Cc1cc(C)c2c(c1)[C@@H]([NH2+]CC1(C#N)CC1)CCCO2 ZINC000903105650 621578564 /nfs/dbraw/zinc/57/85/64/621578564.db2.gz GRDIQAFPWISDIF-HNNXBMFYSA-N 1 1 270.376 3.411 20 30 CGEDMO N#CC1(C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000903106587 621579700 /nfs/dbraw/zinc/57/97/00/621579700.db2.gz RTUIUCKLSKTKKV-ZDUSSCGKSA-N 1 1 295.308 3.371 20 30 CGEDMO C[C@@H]([NH2+][C@H](c1ccccn1)C1CC1)c1cc(C#N)ccn1 ZINC000903335700 621692436 /nfs/dbraw/zinc/69/24/36/621692436.db2.gz SBVRMPJDAFFCLD-PXAZEXFGSA-N 1 1 278.359 3.150 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccc(OC)c(C)c2)no1 ZINC000904594530 621941929 /nfs/dbraw/zinc/94/19/29/621941929.db2.gz ATTQRRNOQKUFSD-ZDUSSCGKSA-N 1 1 287.363 3.410 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ncccc2SC)no1 ZINC000904691743 621958305 /nfs/dbraw/zinc/95/83/05/621958305.db2.gz HCYQAEXJXGJITC-SNVBAGLBSA-N 1 1 290.392 3.210 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(-c2cccc3[nH]c(C)nc32)no1 ZINC000904711443 621960875 /nfs/dbraw/zinc/96/08/75/621960875.db2.gz CMWIWSXZPPGSJN-LBPRGKRZSA-N 1 1 297.362 3.277 20 30 CGEDMO CC(C)[C@H]1[N@@H+](C[C@H](O)CC2(C#N)CCC2)CC12CC=CC2 ZINC000905961637 622133424 /nfs/dbraw/zinc/13/34/24/622133424.db2.gz SPDKAVVVPOJKKC-HZPDHXFCSA-N 1 1 288.435 3.108 20 30 CGEDMO CC(C)[N@H+](CCC#N)Cc1cncc2ccccc21 ZINC000768762153 625546674 /nfs/dbraw/zinc/54/66/74/625546674.db2.gz BBGKEPAUJRILNP-UHFFFAOYSA-N 1 1 253.349 3.359 20 30 CGEDMO CC(C)[N@@H+](CCC#N)Cc1cncc2ccccc21 ZINC000768762153 625546688 /nfs/dbraw/zinc/54/66/88/625546688.db2.gz BBGKEPAUJRILNP-UHFFFAOYSA-N 1 1 253.349 3.359 20 30 CGEDMO COc1cc(C[N@H+](C)[C@@H](C)CC#N)c(O)c(C(C)(C)C)c1 ZINC000164291514 622827376 /nfs/dbraw/zinc/82/73/76/622827376.db2.gz OQLNWDFJYPXLJD-LBPRGKRZSA-N 1 1 290.407 3.432 20 30 CGEDMO COc1cc(C[N@@H+](C)[C@@H](C)CC#N)c(O)c(C(C)(C)C)c1 ZINC000164291514 622827380 /nfs/dbraw/zinc/82/73/80/622827380.db2.gz OQLNWDFJYPXLJD-LBPRGKRZSA-N 1 1 290.407 3.432 20 30 CGEDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cncc(C#N)c1 ZINC000929717864 623525992 /nfs/dbraw/zinc/52/59/92/623525992.db2.gz JWVUGHXEMCQPNI-WQVCFCJDSA-N 1 1 255.365 3.106 20 30 CGEDMO N#CC[C@@H](O)C[N@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000929727457 623533640 /nfs/dbraw/zinc/53/36/40/623533640.db2.gz ZYDJSNWHQGIHIF-RTBURBONSA-N 1 1 292.382 3.061 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2C)[C@H]1C ZINC000992989745 623772499 /nfs/dbraw/zinc/77/24/99/623772499.db2.gz SEHNIZUWJOXODP-WBVHZDCISA-N 1 1 286.419 3.154 20 30 CGEDMO C[N@@H+](CCOCc1ccccc1)CC1CCC(C#N)CC1 ZINC000929825157 623783746 /nfs/dbraw/zinc/78/37/46/623783746.db2.gz NSGWDFXAMYDAGV-UHFFFAOYSA-N 1 1 286.419 3.465 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C)o2)[C@H]1C ZINC000993003750 623785635 /nfs/dbraw/zinc/78/56/35/623785635.db2.gz LLSDQUHMMCKPBX-HUUCEWRRSA-N 1 1 290.407 3.137 20 30 CGEDMO CC(C)CO[C@@H]1CC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000929835714 623820459 /nfs/dbraw/zinc/82/04/59/623820459.db2.gz RTWZWDOOASPRGV-UYSNPLJNSA-N 1 1 264.413 3.063 20 30 CGEDMO Cc1ccc(C)c(N[NH+]=Cc2cnc(N3CCCC3)nc2)c1 ZINC000914773069 623857937 /nfs/dbraw/zinc/85/79/37/623857937.db2.gz JLBYZZRIUTXTAF-UHFFFAOYSA-N 1 1 295.390 3.140 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C2CCCCCC2)[C@H]1C ZINC000993129222 623858098 /nfs/dbraw/zinc/85/80/98/623858098.db2.gz XEGRVHMXYKWVPJ-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCS[C@@H]3COCC[C@H]32)CCC1 ZINC000929856266 623881683 /nfs/dbraw/zinc/88/16/83/623881683.db2.gz VCEPIQQVVHDCJJ-HUUCEWRRSA-N 1 1 294.464 3.057 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccoc2Cl)[C@H]1C ZINC000993218669 623978753 /nfs/dbraw/zinc/97/87/53/623978753.db2.gz QXMJGLWBIGNLRB-DGCLKSJQSA-N 1 1 296.798 3.092 20 30 CGEDMO C=C(C)[C@@H](C)OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000756016527 625691836 /nfs/dbraw/zinc/69/18/36/625691836.db2.gz TYMQLLJHWCKPKE-ZBFHGGJFSA-N 1 1 273.376 3.159 20 30 CGEDMO C=C(C)[C@@H](C)OC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000756016527 625691848 /nfs/dbraw/zinc/69/18/48/625691848.db2.gz TYMQLLJHWCKPKE-ZBFHGGJFSA-N 1 1 273.376 3.159 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OCC(F)(F)F)nc1)C(C)C ZINC000766021350 624038700 /nfs/dbraw/zinc/03/87/00/624038700.db2.gz PDPKKUVQXBEGNA-UHFFFAOYSA-N 1 1 288.313 3.419 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2sc(C)cc2C)[C@@H]1C ZINC000993404841 624041977 /nfs/dbraw/zinc/04/19/77/624041977.db2.gz BHTVJHNFRSMRII-KBPBESRZSA-N 1 1 292.448 3.134 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C23CCC(CC2)C3)[C@@H]1C ZINC000993490024 624053850 /nfs/dbraw/zinc/05/38/50/624053850.db2.gz TWOCOSVITOIWDB-VUGNNNGISA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C23CCC(CC2)C3)[C@H]1C ZINC000993490020 624054606 /nfs/dbraw/zinc/05/46/06/624054606.db2.gz TWOCOSVITOIWDB-JBCIKUTRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](CCC(C)C)[C@@H]2C)C1 ZINC000993787740 624063805 /nfs/dbraw/zinc/06/38/05/624063805.db2.gz IXDSWEHINCVJMN-HZPDHXFCSA-N 1 1 292.467 3.358 20 30 CGEDMO CCCCCCCCCNC(=O)N1CCC[N@@H+](C)CC1 ZINC000916193977 624122321 /nfs/dbraw/zinc/12/23/21/624122321.db2.gz CCXHAZLGHILVMA-UHFFFAOYSA-N 1 1 283.460 3.084 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154352065 624258810 /nfs/dbraw/zinc/25/88/10/624258810.db2.gz KOLFYXYHTYVJNZ-MRXNPFEDSA-N 1 1 292.379 3.306 20 30 CGEDMO C=CC[N@H+](CCC(=O)Nc1ccc(C(C)=O)cc1)C(C)C ZINC000920411663 624491326 /nfs/dbraw/zinc/49/13/26/624491326.db2.gz AYSHNNHRRCMOGO-UHFFFAOYSA-N 1 1 288.391 3.114 20 30 CGEDMO C#CCOC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000181502465 624867666 /nfs/dbraw/zinc/86/76/66/624867666.db2.gz IKYLKYFBPYQENN-UHFFFAOYSA-N 1 1 293.366 3.109 20 30 CGEDMO C=C(Br)C[NH2+]Cc1ccc(Cl)s1 ZINC000070558070 625019814 /nfs/dbraw/zinc/01/98/14/625019814.db2.gz YZNOQYVSCIQZQJ-UHFFFAOYSA-N 1 1 266.591 3.400 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)C2CCCC2)CC1 ZINC000997909847 625768431 /nfs/dbraw/zinc/76/84/31/625768431.db2.gz TYUKMZZGRLZTTQ-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[C@@H]2C)CC1 ZINC000998102362 625788225 /nfs/dbraw/zinc/78/82/25/625788225.db2.gz NBKDNFFYHIEWGL-ULQDDVLXSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC)cc2)C1 ZINC001016156879 625832912 /nfs/dbraw/zinc/83/29/12/625832912.db2.gz PQQVCMYRFMUVJJ-KRWDZBQOSA-N 1 1 286.419 3.019 20 30 CGEDMO CCc1cnc(C[NH2+]Cc2c(C)cc(C#N)cc2C)s1 ZINC000921793708 625878350 /nfs/dbraw/zinc/87/83/50/625878350.db2.gz MEIHVNJZGRCUQP-UHFFFAOYSA-N 1 1 285.416 3.484 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)C(C)=C2CCCC2)CC1 ZINC001002577016 625940153 /nfs/dbraw/zinc/94/01/53/625940153.db2.gz FVQBVRQPVHVSLB-UHFFFAOYSA-N 1 1 296.842 3.210 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC(C)C)CC1 ZINC001004319536 626037374 /nfs/dbraw/zinc/03/73/74/626037374.db2.gz DHXGGKYPXLRULQ-QGZVFWFLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)C[C@@H]2C=CCC2)CC1 ZINC001005088585 626085692 /nfs/dbraw/zinc/08/56/92/626085692.db2.gz NJBDUCQSYSWPTE-CQSZACIVSA-N 1 1 296.842 3.018 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@@H]1COC(=O)c1ccsc1C#N ZINC000923566299 626164284 /nfs/dbraw/zinc/16/42/84/626164284.db2.gz KCNDDMBTAFDVTN-GFCCVEGCSA-N 1 1 292.404 3.039 20 30 CGEDMO CC(=NN1CC[NH+](C)CC1)c1cc2cc(Cl)ccc2o1 ZINC000839383169 626343135 /nfs/dbraw/zinc/34/31/35/626343135.db2.gz FYKRGCFCUVKMRC-UHFFFAOYSA-N 1 1 291.782 3.058 20 30 CGEDMO C[C@H](CC#N)[N@@H+](C)Cc1c(O)ccc2ccccc21 ZINC000103460836 626352968 /nfs/dbraw/zinc/35/29/68/626352968.db2.gz PDKILIZEXWKUNG-GFCCVEGCSA-N 1 1 254.333 3.279 20 30 CGEDMO C[C@H]1CC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)[C@H]1C ZINC000751943967 626412678 /nfs/dbraw/zinc/41/26/78/626412678.db2.gz SGKOWCVVNXZOHD-KBPBESRZSA-N 1 1 280.375 3.110 20 30 CGEDMO C=CC[NH+](CC=C)[C@@H](CNCc1ccoc1)C(C)C ZINC000754046978 626473006 /nfs/dbraw/zinc/47/30/06/626473006.db2.gz SFIYHFYJQORGTD-INIZCTEOSA-N 1 1 262.397 3.068 20 30 CGEDMO CC(C)[N@H+](C)Cc1cc(C#N)ccc1Br ZINC000755041048 626597557 /nfs/dbraw/zinc/59/75/57/626597557.db2.gz KQRQUGZMEFQOQF-UHFFFAOYSA-N 1 1 267.170 3.161 20 30 CGEDMO CC(C)[N@@H+](C)Cc1cc(C#N)ccc1Br ZINC000755041048 626597561 /nfs/dbraw/zinc/59/75/61/626597561.db2.gz KQRQUGZMEFQOQF-UHFFFAOYSA-N 1 1 267.170 3.161 20 30 CGEDMO N#Cc1ccc(F)c(C[NH2+]Cc2cc(F)cc(F)c2)c1 ZINC000756030754 626670468 /nfs/dbraw/zinc/67/04/68/626670468.db2.gz UZWANLXYEALXQB-UHFFFAOYSA-N 1 1 276.261 3.265 20 30 CGEDMO C#Cc1cccc(N(C)C(=O)c2sccc2C[NH+](C)C)c1 ZINC000756104328 626677197 /nfs/dbraw/zinc/67/71/97/626677197.db2.gz ZJDXWUKCXVZFSC-UHFFFAOYSA-N 1 1 298.411 3.068 20 30 CGEDMO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1cc(F)cc(F)c1O ZINC000756392965 626701102 /nfs/dbraw/zinc/70/11/02/626701102.db2.gz LMCOYTGSMUXJDZ-JTQLQIEISA-N 1 1 288.297 3.393 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)CC[C@H](C)c1ccccc1 ZINC000756544880 626713650 /nfs/dbraw/zinc/71/36/50/626713650.db2.gz SERNVMYNOGTESJ-FUHWJXTLSA-N 1 1 299.414 3.211 20 30 CGEDMO C#CC[N@H+](CCOCc1ccc(OC)cc1)C1CCCC1 ZINC000756912018 626741018 /nfs/dbraw/zinc/74/10/18/626741018.db2.gz RFQKXEFLAYUNIM-UHFFFAOYSA-N 1 1 287.403 3.090 20 30 CGEDMO C#CC[C@H](Nc1[nH+]cnc2[nH]ccc21)c1ccccc1 ZINC000756957666 626743625 /nfs/dbraw/zinc/74/36/25/626743625.db2.gz YXCIBXYTYISUCR-AWEZNQCLSA-N 1 1 262.316 3.134 20 30 CGEDMO C=CCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1Br ZINC000839577181 626762868 /nfs/dbraw/zinc/76/28/68/626762868.db2.gz UAPBVSVYSKLTCL-UHFFFAOYSA-N 1 1 299.168 3.365 20 30 CGEDMO C=CCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1Br ZINC000839577181 626762870 /nfs/dbraw/zinc/76/28/70/626762870.db2.gz UAPBVSVYSKLTCL-UHFFFAOYSA-N 1 1 299.168 3.365 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1cnc2ccc(C)cc2c1 ZINC000839580400 626763391 /nfs/dbraw/zinc/76/33/91/626763391.db2.gz HQLNLQNRQIOOQG-UHFFFAOYSA-N 1 1 252.361 3.387 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CC[C@H](C3CCC3)C2)cc1 ZINC000839676420 626777282 /nfs/dbraw/zinc/77/72/82/626777282.db2.gz MBSRBPHTKOJRDB-INIZCTEOSA-N 1 1 270.376 3.211 20 30 CGEDMO CC(=NOCC(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000758906295 626865634 /nfs/dbraw/zinc/86/56/34/626865634.db2.gz DOOXBGLOTBMZQP-AWEZNQCLSA-N 1 1 282.334 3.166 20 30 CGEDMO CC1(C)CC(=NOCC(F)F)C[N@H+]1Cc1ccccc1 ZINC000758913078 626866184 /nfs/dbraw/zinc/86/61/84/626866184.db2.gz ZSFGTIQELHOFEC-UHFFFAOYSA-N 1 1 282.334 3.309 20 30 CGEDMO Cc1ccc(C)c(C[N@@H+](C)C[C@@H](O)c2ccc(C#N)cc2)c1 ZINC000759628994 626910184 /nfs/dbraw/zinc/91/01/84/626910184.db2.gz RYRGSMZYQABCOV-LJQANCHMSA-N 1 1 294.398 3.341 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000759776224 626921096 /nfs/dbraw/zinc/92/10/96/626921096.db2.gz WYWQFYADKUWWCO-NSHDSACASA-N 1 1 270.159 3.080 20 30 CGEDMO C[C@H]1c2ccccc2C[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000763411796 627157098 /nfs/dbraw/zinc/15/70/98/627157098.db2.gz BSGYQRVTSYMLCB-SCLBCKFNSA-N 1 1 278.355 3.168 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000763880516 627182995 /nfs/dbraw/zinc/18/29/95/627182995.db2.gz WTLUMDYCHAMAGJ-CRAIPNDOSA-N 1 1 273.486 3.437 20 30 CGEDMO C#CCCC[N@@H+]1CCN(c2ccccc2)C[C@H]1CC ZINC000763901807 627184552 /nfs/dbraw/zinc/18/45/52/627184552.db2.gz JUJRMVOYAPQRDZ-MRXNPFEDSA-N 1 1 256.393 3.001 20 30 CGEDMO C=C(Cl)C[N@H+]1CCN(c2ccccc2)C[C@H]1CC ZINC000763912053 627185067 /nfs/dbraw/zinc/18/50/67/627185067.db2.gz MAFCGXAIEOMKSV-CQSZACIVSA-N 1 1 264.800 3.340 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCN(c2ccccc2)C[C@H]1CC ZINC000763912053 627185069 /nfs/dbraw/zinc/18/50/69/627185069.db2.gz MAFCGXAIEOMKSV-CQSZACIVSA-N 1 1 264.800 3.340 20 30 CGEDMO C#CC[N@H+](Cc1cnc(-c2ccccc2)s1)C1CC1 ZINC000763954951 627187781 /nfs/dbraw/zinc/18/77/81/627187781.db2.gz BHOQOXTVKBUVGB-UHFFFAOYSA-N 1 1 268.385 3.408 20 30 CGEDMO C#CC[N@@H+](Cc1cnc(-c2ccccc2)s1)C1CC1 ZINC000763954951 627187783 /nfs/dbraw/zinc/18/77/83/627187783.db2.gz BHOQOXTVKBUVGB-UHFFFAOYSA-N 1 1 268.385 3.408 20 30 CGEDMO CCN(CC)c1ccc(C[N@H+](C)C[C@@H](C#N)CCC#N)cc1 ZINC000764824308 627227201 /nfs/dbraw/zinc/22/72/01/627227201.db2.gz CZAAZXWXIJPARG-QGZVFWFLSA-N 1 1 298.434 3.408 20 30 CGEDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@@H](C#N)CCC#N)cc1 ZINC000764824308 627227202 /nfs/dbraw/zinc/22/72/02/627227202.db2.gz CZAAZXWXIJPARG-QGZVFWFLSA-N 1 1 298.434 3.408 20 30 CGEDMO C#CCCC[N@@H+]1CCN(c2ccc(C)c(C)c2)C[C@@H]1C ZINC000766901999 627369564 /nfs/dbraw/zinc/36/95/64/627369564.db2.gz CCQZAZBBHHSIDY-KRWDZBQOSA-N 1 1 270.420 3.227 20 30 CGEDMO N#CC1(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000767120303 627383880 /nfs/dbraw/zinc/38/38/80/627383880.db2.gz RNIXNTFRXCLOSV-JKSUJKDBSA-N 1 1 288.366 3.017 20 30 CGEDMO C=CC[N@H+](CCC(=O)C1CC1)Cc1ccc(OC)cc1 ZINC000767364838 627401562 /nfs/dbraw/zinc/40/15/62/627401562.db2.gz UHDAHFMLFIZZLF-UHFFFAOYSA-N 1 1 273.376 3.052 20 30 CGEDMO C#CCN(CC[C@@H]1CCC[N@@H+]1C)[C@H]1CCc2ccccc21 ZINC000767363927 627401773 /nfs/dbraw/zinc/40/17/73/627401773.db2.gz MDGBMBMXUDRGHC-HKUYNNGSSA-N 1 1 282.431 3.093 20 30 CGEDMO C=CC[N@@H+](Cc1cc2c(cc1OC(F)F)OCO2)C(C)C ZINC000768548079 627485793 /nfs/dbraw/zinc/48/57/93/627485793.db2.gz VZLWLJALQLLJCC-UHFFFAOYSA-N 1 1 299.317 3.413 20 30 CGEDMO CC[N@@H+](CCc1ccccn1)CC(C)(C)CCC#N ZINC000769034614 627519089 /nfs/dbraw/zinc/51/90/89/627519089.db2.gz FTBBFXJUOMZYQE-UHFFFAOYSA-N 1 1 259.397 3.276 20 30 CGEDMO C#CC[N@H+](CC)Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000769111535 627523128 /nfs/dbraw/zinc/52/31/28/627523128.db2.gz QPYZSRRQJAOQPI-UHFFFAOYSA-N 1 1 273.767 3.185 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(C#N)s1)C1CCCCC1 ZINC000769146299 627525788 /nfs/dbraw/zinc/52/57/88/627525788.db2.gz SCCCOGUIRGQOTD-UHFFFAOYSA-N 1 1 258.390 3.388 20 30 CGEDMO C#CC[N@@H+](Cc1c(Cl)n(C)nc1CC)C1CCCCC1 ZINC000769146407 627526123 /nfs/dbraw/zinc/52/61/23/627526123.db2.gz VZNFJYHSRUMOHN-UHFFFAOYSA-N 1 1 293.842 3.404 20 30 CGEDMO C#CC[N@H+](Cc1c(Cl)n(C)nc1CC)C1CCCCC1 ZINC000769146407 627526126 /nfs/dbraw/zinc/52/61/26/627526126.db2.gz VZNFJYHSRUMOHN-UHFFFAOYSA-N 1 1 293.842 3.404 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CCS[C@H](CC)C1 ZINC000769446351 627553122 /nfs/dbraw/zinc/55/31/22/627553122.db2.gz NTQHGTYWDSPAFJ-OAHLLOKOSA-N 1 1 275.417 3.026 20 30 CGEDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000769471937 627557565 /nfs/dbraw/zinc/55/75/65/627557565.db2.gz ZEJGKEZNELUKKV-HUUCEWRRSA-N 1 1 271.408 3.267 20 30 CGEDMO C#CC[N@@H+](Cc1nc2ccccc2n1CC)C1CCCC1 ZINC000769530680 627563140 /nfs/dbraw/zinc/56/31/40/627563140.db2.gz POAQZJRJORWPHW-UHFFFAOYSA-N 1 1 281.403 3.434 20 30 CGEDMO C#CC[N@H+](Cc1nc2ccccc2n1CC)C1CCCC1 ZINC000769530680 627563142 /nfs/dbraw/zinc/56/31/42/627563142.db2.gz POAQZJRJORWPHW-UHFFFAOYSA-N 1 1 281.403 3.434 20 30 CGEDMO C[C@H](C#N)C[N@H+](Cc1cc(Cl)ccc1O)C1CC1 ZINC000769543635 627564551 /nfs/dbraw/zinc/56/45/51/627564551.db2.gz FEBSYMUEIUFKPY-SNVBAGLBSA-N 1 1 264.756 3.170 20 30 CGEDMO C[C@H](C#N)C[N@@H+](Cc1cc(Cl)ccc1O)C1CC1 ZINC000769543635 627564554 /nfs/dbraw/zinc/56/45/54/627564554.db2.gz FEBSYMUEIUFKPY-SNVBAGLBSA-N 1 1 264.756 3.170 20 30 CGEDMO CCCCCCCCCNC(=O)N1CCC[N@@H+](CC)CC1 ZINC000769611337 627569247 /nfs/dbraw/zinc/56/92/47/627569247.db2.gz KJEJJRATTNCLHS-UHFFFAOYSA-N 1 1 297.487 3.474 20 30 CGEDMO N#Cc1ccc(-c2ccn(C[N@H+]3CCCC4(CC4)C3)n2)cc1 ZINC000769799635 627578990 /nfs/dbraw/zinc/57/89/90/627578990.db2.gz YQHDELHPOHPEEZ-UHFFFAOYSA-N 1 1 292.386 3.255 20 30 CGEDMO C[C@H]1CC[N@H+](Cc2ccccc2)CC1=NNCC(F)(F)F ZINC000769821616 627581398 /nfs/dbraw/zinc/58/13/98/627581398.db2.gz JEVOVWIIKPQOIJ-LBPRGKRZSA-N 1 1 299.340 3.036 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CC1=NNCC(F)(F)F ZINC000769821616 627581400 /nfs/dbraw/zinc/58/14/00/627581400.db2.gz JEVOVWIIKPQOIJ-LBPRGKRZSA-N 1 1 299.340 3.036 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)CCOc1c(Cl)cccc1Cl ZINC000769976300 627593737 /nfs/dbraw/zinc/59/37/37/627593737.db2.gz YNDFRBDWIJUHND-JTQLQIEISA-N 1 1 272.175 3.326 20 30 CGEDMO CC(C)CNN=CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000771566008 627719660 /nfs/dbraw/zinc/71/96/60/627719660.db2.gz CHJOKQKQVLMCJY-UHFFFAOYSA-N 1 1 275.440 3.376 20 30 CGEDMO C#CC[C@H]([NH2+]Cc1nc2c(s1)CCC2)c1ccccc1 ZINC000771856531 627736541 /nfs/dbraw/zinc/73/65/41/627736541.db2.gz BVECZMJLFNUBHJ-AWEZNQCLSA-N 1 1 282.412 3.486 20 30 CGEDMO C=C[C@@H](CC(=O)OCCn1cc[nH+]c1C)c1ccccc1 ZINC000772031927 627757195 /nfs/dbraw/zinc/75/71/95/627757195.db2.gz ZTIPCTALTVDJEG-HNNXBMFYSA-N 1 1 284.359 3.095 20 30 CGEDMO C=C(Cl)C[NH2+][C@H](C)c1cn(C(C)(C)C)nc1C ZINC000773003297 627840234 /nfs/dbraw/zinc/84/02/34/627840234.db2.gz CRZHXPQNYMEOHM-SNVBAGLBSA-N 1 1 255.793 3.350 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(OC(F)F)c(Cl)c1 ZINC000775184324 628070857 /nfs/dbraw/zinc/07/08/57/628070857.db2.gz VDQCKQWRBHUGOU-VIFPVBQESA-N 1 1 273.710 3.395 20 30 CGEDMO C#CC[C@@H]([NH2+]Cc1cn2c(cccc2C)n1)c1ccccc1 ZINC000775399986 628090829 /nfs/dbraw/zinc/09/08/29/628090829.db2.gz WKLORVASEMJYTG-GOSISDBHSA-N 1 1 289.382 3.497 20 30 CGEDMO C=CC[C@H](C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C)c1ccccc1 ZINC000874833365 634629363 /nfs/dbraw/zinc/62/93/63/634629363.db2.gz KTEJJAVXANCWAM-KSZLIROESA-N 1 1 298.430 3.041 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000776851218 628236838 /nfs/dbraw/zinc/23/68/38/628236838.db2.gz WYCNMNCAPOTVTI-ZDUSSCGKSA-N 1 1 256.434 3.192 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000778982002 628380903 /nfs/dbraw/zinc/38/09/03/628380903.db2.gz IPBHMGYTXHKINQ-KKUMJFAQSA-N 1 1 294.439 3.023 20 30 CGEDMO C=CC[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C(C)C ZINC000778995984 628382230 /nfs/dbraw/zinc/38/22/30/628382230.db2.gz HQRKCXWWVUYCOR-UHFFFAOYSA-N 1 1 294.402 3.355 20 30 CGEDMO C=CC[N@@H+](C)Cc1cc(C)cc(Br)c1O ZINC000779188084 628393217 /nfs/dbraw/zinc/39/32/17/628393217.db2.gz DZOXUFCJBFLZAD-UHFFFAOYSA-N 1 1 270.170 3.081 20 30 CGEDMO C=CC[N@H+](C)Cc1cc(C)cc(Br)c1O ZINC000779188084 628393219 /nfs/dbraw/zinc/39/32/19/628393219.db2.gz DZOXUFCJBFLZAD-UHFFFAOYSA-N 1 1 270.170 3.081 20 30 CGEDMO C#CCC(C)(C)COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000779456733 628414698 /nfs/dbraw/zinc/41/46/98/628414698.db2.gz NXMAZIGLFYFXGV-KRWDZBQOSA-N 1 1 299.414 3.244 20 30 CGEDMO C#CCC(C)(C)COC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000779456733 628414701 /nfs/dbraw/zinc/41/47/01/628414701.db2.gz NXMAZIGLFYFXGV-KRWDZBQOSA-N 1 1 299.414 3.244 20 30 CGEDMO Cc1cc(C=NNc2cc[nH+]cc2)cc(C)c1OC(F)F ZINC000779808502 628433356 /nfs/dbraw/zinc/43/33/56/628433356.db2.gz ATSAMRWBJZGAQJ-UHFFFAOYSA-N 1 1 291.301 3.168 20 30 CGEDMO Cc1cc(C=NNc2cc[nH+]cc2)c(C)n1CC(C)C ZINC000779808648 628433477 /nfs/dbraw/zinc/43/34/77/628433477.db2.gz NSXNWGSAHDEBSY-UHFFFAOYSA-N 1 1 270.380 3.024 20 30 CGEDMO CCC(=NNc1cc[nH+]cc1)c1cc(F)ccc1F ZINC000779808507 628433601 /nfs/dbraw/zinc/43/36/01/628433601.db2.gz ATVIMHISOGUJRJ-UHFFFAOYSA-N 1 1 261.275 3.008 20 30 CGEDMO CC(=NNc1cc[nH+]cc1)c1oc2ccccc2c1C ZINC000779811809 628434377 /nfs/dbraw/zinc/43/43/77/628434377.db2.gz KCTDIEAMVRDNEQ-UHFFFAOYSA-N 1 1 265.316 3.394 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CCO[C@H](CC)C1 ZINC000780758895 628515414 /nfs/dbraw/zinc/51/54/14/628515414.db2.gz ZJXVCKFUCQJFRO-SJLPKXTDSA-N 1 1 289.394 3.466 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@H]2CCSc3c(F)cccc32)nc1 ZINC000783299381 628700744 /nfs/dbraw/zinc/70/07/44/628700744.db2.gz BJZIQYUPIMJQLR-HNNXBMFYSA-N 1 1 299.374 3.419 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc2ccccc2n1 ZINC000783300159 628701326 /nfs/dbraw/zinc/70/13/26/628701326.db2.gz JAOWCYRCBRRZQS-CYBMUJFWSA-N 1 1 288.354 3.352 20 30 CGEDMO C=CCCC[N@H+](C)CN1C[C@@H](c2cccc(C)c2)CC1=O ZINC000783985304 628762918 /nfs/dbraw/zinc/76/29/18/628762918.db2.gz VHKYRDGHMDLHGW-KRWDZBQOSA-N 1 1 286.419 3.166 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000784012231 628765819 /nfs/dbraw/zinc/76/58/19/628765819.db2.gz BINMUWOJTUALGA-QGZVFWFLSA-N 1 1 281.359 3.066 20 30 CGEDMO C=CC[N@H+](CCCCC(=O)OC(C)(C)C)C(C)C ZINC000784133818 628784125 /nfs/dbraw/zinc/78/41/25/628784125.db2.gz AQSDBLJSDXMOER-UHFFFAOYSA-N 1 1 255.402 3.395 20 30 CGEDMO C#CCCC[N@@H+]1C[C@H](C)C[C@@H]1c1cccc(OC)c1 ZINC000784354025 628808625 /nfs/dbraw/zinc/80/86/25/628808625.db2.gz TVQQJSJWHXYNHT-RHSMWYFYSA-N 1 1 257.377 3.492 20 30 CGEDMO C#CCCC[N@@H+]1CCCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC000805763990 628821022 /nfs/dbraw/zinc/82/10/22/628821022.db2.gz SEQRZDDARUSYTK-OAHLLOKOSA-N 1 1 294.439 3.169 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000784571717 628822751 /nfs/dbraw/zinc/82/27/51/628822751.db2.gz KSEWAMAQAKEKRD-HUUCEWRRSA-N 1 1 267.413 3.206 20 30 CGEDMO Cc1csc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)n1 ZINC000785617876 628874860 /nfs/dbraw/zinc/87/48/60/628874860.db2.gz YRAAJGYGULTFCW-AWEZNQCLSA-N 1 1 269.373 3.100 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)N[C@@H](C)CCCCC ZINC000785996960 628906787 /nfs/dbraw/zinc/90/67/87/628906787.db2.gz HTXWKKGGSZSKLT-GJZGRUSLSA-N 1 1 266.429 3.112 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000785998477 628906865 /nfs/dbraw/zinc/90/68/65/628906865.db2.gz GODQMYXQEIOSLT-CQSZACIVSA-N 1 1 299.370 3.348 20 30 CGEDMO C=C[C@@](C)(CC)COC(=O)[C@H]1CCCC[N@H+]1CC ZINC000786530765 628946731 /nfs/dbraw/zinc/94/67/31/628946731.db2.gz SFLDRGUVHFZFJF-HIFRSBDPSA-N 1 1 253.386 3.006 20 30 CGEDMO C=C[C@@](C)(CC)COC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000786530765 628946735 /nfs/dbraw/zinc/94/67/35/628946735.db2.gz SFLDRGUVHFZFJF-HIFRSBDPSA-N 1 1 253.386 3.006 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000787308560 629007720 /nfs/dbraw/zinc/00/77/20/629007720.db2.gz DAHNOUNLSLMWLL-KRWDZBQOSA-N 1 1 286.419 3.064 20 30 CGEDMO C[C@@H](C=NN1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000788928519 629090279 /nfs/dbraw/zinc/09/02/79/629090279.db2.gz KKPGYAJWBVCAEH-LBPRGKRZSA-N 1 1 299.340 3.042 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)C[C@H]2CCCC[C@@H]2C)n1 ZINC000789761805 629166017 /nfs/dbraw/zinc/16/60/17/629166017.db2.gz JABMHFSVXPKDSV-JKSUJKDBSA-N 1 1 273.424 3.165 20 30 CGEDMO C#C[C@@H](CC)OC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000805917877 629195099 /nfs/dbraw/zinc/19/50/99/629195099.db2.gz BNJCISAEUGLFCT-KRWDZBQOSA-N 1 1 287.403 3.486 20 30 CGEDMO C[C@H]1C[C@H](C)[NH+]1Cc1cc(Cl)ccc1OCC#N ZINC000791578480 629290614 /nfs/dbraw/zinc/29/06/14/629290614.db2.gz VEYVMZKXWGMCCP-QWRGUYRKSA-N 1 1 264.756 3.225 20 30 CGEDMO C#CC[C@@H]([NH2+]Cc1cnc(C2CC2)o1)c1ccccc1 ZINC000862290693 629339405 /nfs/dbraw/zinc/33/94/05/629339405.db2.gz CTVYAEBCPZDYKX-MRXNPFEDSA-N 1 1 266.344 3.406 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000792305147 629354980 /nfs/dbraw/zinc/35/49/80/629354980.db2.gz FSNDKCIQVSVNDC-UHFFFAOYSA-N 1 1 283.346 3.470 20 30 CGEDMO C#CC[N@@H+](C)CCCOc1cccc(C(F)(F)F)c1 ZINC000792306620 629356295 /nfs/dbraw/zinc/35/62/95/629356295.db2.gz ZXNZHPVMFZNHEL-UHFFFAOYSA-N 1 1 271.282 3.039 20 30 CGEDMO C=CC(C)(C)CC[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000862432747 629371431 /nfs/dbraw/zinc/37/14/31/629371431.db2.gz DQHYAHPNJFOMBK-UHFFFAOYSA-N 1 1 294.351 3.001 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2c(Cl)nc3ccccn32)C1 ZINC000862441738 629374548 /nfs/dbraw/zinc/37/45/48/629374548.db2.gz VANQXAFWWSANEM-GFCCVEGCSA-N 1 1 275.783 3.386 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cccc(OCC=C)c2)C1 ZINC000862442680 629375152 /nfs/dbraw/zinc/37/51/52/629375152.db2.gz FLFJNOGKUBWHMX-HNNXBMFYSA-N 1 1 255.361 3.097 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000862444096 629376805 /nfs/dbraw/zinc/37/68/05/629376805.db2.gz XOIACHICQUUCPY-ZDUSSCGKSA-N 1 1 283.400 3.050 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000862445058 629378523 /nfs/dbraw/zinc/37/85/23/629378523.db2.gz LAHFUTYRDHHPKG-GFCCVEGCSA-N 1 1 275.779 3.120 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793098735 629410785 /nfs/dbraw/zinc/41/07/85/629410785.db2.gz MIQQTPKINLMYOO-UHFFFAOYSA-N 1 1 272.314 3.389 20 30 CGEDMO COC(=O)c1cc(N[NH+]=C(C)c2ccc(N)cc2)ccc1C ZINC000793096823 629411141 /nfs/dbraw/zinc/41/11/41/629411141.db2.gz BXQSKQGUTRAFLA-UHFFFAOYSA-N 1 1 297.358 3.200 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)cc1 ZINC000793214574 629428838 /nfs/dbraw/zinc/42/88/38/629428838.db2.gz PCUODEMOCRSNER-DNVCBOLYSA-N 1 1 299.414 3.088 20 30 CGEDMO c1cnn(N=C2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]23)c1 ZINC000863163763 629486704 /nfs/dbraw/zinc/48/67/04/629486704.db2.gz OOLRGKYMFAJBAL-WMZOPIPTSA-N 1 1 294.402 3.162 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)C[C@@H](C2CC2)O1 ZINC000930271293 629694764 /nfs/dbraw/zinc/69/47/64/629694764.db2.gz VUAQITBRFJCKSR-ZBFHGGJFSA-N 1 1 276.424 3.350 20 30 CGEDMO C#CCCC[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000796109926 629744593 /nfs/dbraw/zinc/74/45/93/629744593.db2.gz SCLVMNMINYZSAH-UHFFFAOYSA-N 1 1 285.309 3.473 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@](C(=O)OC)(C(F)(F)F)C1 ZINC000796304313 629761727 /nfs/dbraw/zinc/76/17/27/629761727.db2.gz IRBVRPSTEMSWOR-ZDUSSCGKSA-N 1 1 293.329 3.160 20 30 CGEDMO CCCCCCCC[N@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000796339140 629768596 /nfs/dbraw/zinc/76/85/96/629768596.db2.gz AEBCDTNLHXVGJZ-JKSUJKDBSA-N 1 1 269.429 3.227 20 30 CGEDMO CCc1ccc([C@H]2CCC[N@@H+](CCO[C@@H](C)C#N)C2)cc1 ZINC000796585199 629803275 /nfs/dbraw/zinc/80/32/75/629803275.db2.gz RDLBSBCVUQDMLB-YJBOKZPZSA-N 1 1 286.419 3.357 20 30 CGEDMO CCc1ccc([C@@H]2CCC[N@@H+](CCO[C@H](C)C#N)C2)cc1 ZINC000796585186 629803539 /nfs/dbraw/zinc/80/35/39/629803539.db2.gz RDLBSBCVUQDMLB-CRAIPNDOSA-N 1 1 286.419 3.357 20 30 CGEDMO COc1cccc(/C=N/C[C@@H]2c3ccccc3C[N@H+]2C)c1O ZINC000864348313 629816181 /nfs/dbraw/zinc/81/61/81/629816181.db2.gz JALOLJVWSJUJSW-MWJIIQFGSA-N 1 1 296.370 3.006 20 30 CGEDMO COc1cccc(/C=N/C[C@@H]2c3ccccc3C[N@@H+]2C)c1O ZINC000864348313 629816188 /nfs/dbraw/zinc/81/61/88/629816188.db2.gz JALOLJVWSJUJSW-MWJIIQFGSA-N 1 1 296.370 3.006 20 30 CGEDMO CCO[C@@H](C)c1nc(CO[NH+]=C(N)CCC(C)C)cs1 ZINC000120039491 629822659 /nfs/dbraw/zinc/82/26/59/629822659.db2.gz ARFCYOCHVOXDJJ-NSHDSACASA-N 1 1 299.440 3.466 20 30 CGEDMO CC(C)c1c(Cl)ncnc1N=NC1CCC[N@@H+](C)CC1 ZINC000797404283 629942444 /nfs/dbraw/zinc/94/24/44/629942444.db2.gz CGFZXSHHXNEEEX-UHFFFAOYSA-N 1 1 295.818 3.137 20 30 CGEDMO C[C@@H](C#N)CNN=C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000797786315 629982438 /nfs/dbraw/zinc/98/24/38/629982438.db2.gz QHVWWORMKJQMOI-BUSXIPJBSA-N 1 1 298.434 3.166 20 30 CGEDMO C=CCN1CC[C@@H]([N@H+](C)CCCCCCCC)C1=O ZINC000799177363 630153405 /nfs/dbraw/zinc/15/34/05/630153405.db2.gz MSGZCQHZDDZKTR-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CC[N@H+](C[C@@H](O)c1ccc(F)cn1)CC1CCCCC1 ZINC000799302194 630164003 /nfs/dbraw/zinc/16/40/03/630164003.db2.gz CRKHNULYHQFEGZ-QGZVFWFLSA-N 1 1 292.398 3.322 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H](C)c1cnn(C2CCCC2)c1 ZINC000800481067 630284748 /nfs/dbraw/zinc/28/47/48/630284748.db2.gz JARGNJZXHMVVMU-NSHDSACASA-N 1 1 253.777 3.401 20 30 CGEDMO CCC[N@@H+](CCO[C@@H](C)C#N)[C@@H]1CCc2ccccc21 ZINC000801913983 630365205 /nfs/dbraw/zinc/36/52/05/630365205.db2.gz QAOWQYLMKKFHGW-WMLDXEAASA-N 1 1 272.392 3.315 20 30 CGEDMO CCCC[N@@H+](CCO[C@H](C)C#N)C1CCCCC1 ZINC000801913529 630365286 /nfs/dbraw/zinc/36/52/86/630365286.db2.gz GCGXMGYGWKMLPE-CQSZACIVSA-N 1 1 252.402 3.350 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000801923268 630367898 /nfs/dbraw/zinc/36/78/98/630367898.db2.gz CONJYLOBQDCVRL-BFYDXBDKSA-N 1 1 272.392 3.041 20 30 CGEDMO C=CCCCCCCNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000807571014 630593192 /nfs/dbraw/zinc/59/31/92/630593192.db2.gz YFPVYGXNCHZKIR-CVEARBPZSA-N 1 1 295.471 3.105 20 30 CGEDMO C#Cc1ccc(C[N@H+](CCOC)[C@H]2CC[C@H](C)C2)cc1 ZINC000809653305 630775358 /nfs/dbraw/zinc/77/53/58/630775358.db2.gz XRGRBQUCBGAMKK-YJBOKZPZSA-N 1 1 271.404 3.305 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCOc3cc(OC)ccc3C2)cc1 ZINC000809662627 630776739 /nfs/dbraw/zinc/77/67/39/630776739.db2.gz AWILEYUIXNHVTK-UHFFFAOYSA-N 1 1 293.366 3.071 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCOc3cc(OC)ccc3C2)cc1 ZINC000809662627 630776745 /nfs/dbraw/zinc/77/67/45/630776745.db2.gz AWILEYUIXNHVTK-UHFFFAOYSA-N 1 1 293.366 3.071 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000878376877 635480159 /nfs/dbraw/zinc/48/01/59/635480159.db2.gz DNZOIYMHBQXFRE-UHFFFAOYSA-N 1 1 280.456 3.168 20 30 CGEDMO C[C@H]1C[C@H]([NH2+]Cc2nc(C#N)cs2)c2ccccc21 ZINC000810144343 630845565 /nfs/dbraw/zinc/84/55/65/630845565.db2.gz WQGLZSRCMWURIC-HZMBPMFUSA-N 1 1 269.373 3.353 20 30 CGEDMO C[C@H]1C[C@@H]([NH2+]Cc2nc(C#N)cs2)c2ccccc21 ZINC000810144345 630845940 /nfs/dbraw/zinc/84/59/40/630845940.db2.gz WQGLZSRCMWURIC-IINYFYTJSA-N 1 1 269.373 3.353 20 30 CGEDMO CCCCCCC[N@H+]1CCCC[C@H]1CC(=O)OC ZINC000103746750 630908997 /nfs/dbraw/zinc/90/89/97/630908997.db2.gz RMYSCBGPUNNHFH-AWEZNQCLSA-N 1 1 255.402 3.374 20 30 CGEDMO C#CC[C@H](OC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)(C)C ZINC000810674098 630925164 /nfs/dbraw/zinc/92/51/64/630925164.db2.gz XHGCKVWFFKVXGX-SUMWQHHRSA-N 1 1 297.414 3.180 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)CC1Cc2ccccc2C1 ZINC000811452942 631066843 /nfs/dbraw/zinc/06/68/43/631066843.db2.gz CSSAICXIIDPEGL-UHFFFAOYSA-N 1 1 256.393 3.273 20 30 CGEDMO CN(C)c1ncc(C=[NH+]Nc2ccc(C(C)(C)C)cc2)n1C ZINC000811647316 631096823 /nfs/dbraw/zinc/09/68/23/631096823.db2.gz GENDCMXACDYMMT-UHFFFAOYSA-N 1 1 299.422 3.230 20 30 CGEDMO Cc1cccc(C(C)C)c1N[NH2+]C1=CC(=O)N2CCC[C@@H]12 ZINC000812231883 631223534 /nfs/dbraw/zinc/22/35/34/631223534.db2.gz ISZUQNMDHIYQAL-HNNXBMFYSA-N 1 1 285.391 3.281 20 30 CGEDMO C#CCCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000812839685 631322743 /nfs/dbraw/zinc/32/27/43/631322743.db2.gz AHNRWJPALUXTHF-MWDXBVQZSA-N 1 1 263.425 3.051 20 30 CGEDMO CN(C)c1ccc(C#N)cc1C[N@@H+](C)Cc1cccs1 ZINC000876534215 634852817 /nfs/dbraw/zinc/85/28/17/634852817.db2.gz PONHGAZEOAWGRV-UHFFFAOYSA-N 1 1 285.416 3.318 20 30 CGEDMO C#Cc1ccc(C[NH+]2CC(OC)(c3ccccc3)C2)cc1 ZINC000813331245 631410725 /nfs/dbraw/zinc/41/07/25/631410725.db2.gz NAVDGFNIPDYQJD-UHFFFAOYSA-N 1 1 277.367 3.025 20 30 CGEDMO C[C@H]1CC(=NOCC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000814245081 631558391 /nfs/dbraw/zinc/55/83/91/631558391.db2.gz QOKWCBQXPPYJCQ-AWEZNQCLSA-N 1 1 272.392 3.454 20 30 CGEDMO CCN(CC)c1ncc(C=[NH+]OCCC2CC2)s1 ZINC000814245855 631560054 /nfs/dbraw/zinc/56/00/54/631560054.db2.gz KODPPWXFLXFRPF-UHFFFAOYSA-N 1 1 267.398 3.140 20 30 CGEDMO c1cncc(CO[NH+]=C2CC[C@H]3CNc4cccc2c43)c1 ZINC000814883959 631663905 /nfs/dbraw/zinc/66/39/05/631663905.db2.gz JQENKJFJZUPFCE-ZDUSSCGKSA-N 1 1 279.343 3.305 20 30 CGEDMO CC(C)CNN=C1CCC[N@H+](Cc2ccccc2)[C@H]1C ZINC000814892603 631667859 /nfs/dbraw/zinc/66/78/59/631667859.db2.gz XYPZYUOIODSZSI-HNNXBMFYSA-N 1 1 273.424 3.273 20 30 CGEDMO CC(C)CNN=C1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000814892603 631667863 /nfs/dbraw/zinc/66/78/63/631667863.db2.gz XYPZYUOIODSZSI-HNNXBMFYSA-N 1 1 273.424 3.273 20 30 CGEDMO CCOCCON=C1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000814907418 631675408 /nfs/dbraw/zinc/67/54/08/631675408.db2.gz IPXWTEURLLJRCK-HNNXBMFYSA-N 1 1 290.407 3.080 20 30 CGEDMO CC[C@@H](C)NN=C1CCC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000814913646 631678646 /nfs/dbraw/zinc/67/86/46/631678646.db2.gz SFZJCHJHSXNCRH-HUUCEWRRSA-N 1 1 273.424 3.415 20 30 CGEDMO CC[C@@H](C)NN=C1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000814913646 631678650 /nfs/dbraw/zinc/67/86/50/631678650.db2.gz SFZJCHJHSXNCRH-HUUCEWRRSA-N 1 1 273.424 3.415 20 30 CGEDMO Cl/C=C\CO[NH+]=C1CC[C@@H]2CNc3cccc1c32 ZINC000814934284 631689967 /nfs/dbraw/zinc/68/99/67/631689967.db2.gz QUNTXWWEVSLFLG-DGXMGXPKSA-N 1 1 262.740 3.463 20 30 CGEDMO CC(=[NH+]NCC1(C)CCCC1)c1cc([N+](=O)[O-])ccc1N ZINC000814937530 631691470 /nfs/dbraw/zinc/69/14/70/631691470.db2.gz JRVPBDOFAHNFSM-UHFFFAOYSA-N 1 1 290.367 3.071 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000815046864 631706504 /nfs/dbraw/zinc/70/65/04/631706504.db2.gz BFVBNNWYYJUUCI-OAHLLOKOSA-N 1 1 267.319 3.304 20 30 CGEDMO C=CCC(F)(F)C(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000815940277 631839825 /nfs/dbraw/zinc/83/98/25/631839825.db2.gz PTYAOMIFLPCWGX-CQSZACIVSA-N 1 1 295.329 3.016 20 30 CGEDMO C#CCCCC(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000816454538 631985130 /nfs/dbraw/zinc/98/51/30/631985130.db2.gz GNVIZIJNRCABBZ-FUHWJXTLSA-N 1 1 299.414 3.244 20 30 CGEDMO C#CCCCC(=O)O[C@@H]1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000816471858 631988043 /nfs/dbraw/zinc/98/80/43/631988043.db2.gz OPJJPLYMVWLUQY-FUHWJXTLSA-N 1 1 299.414 3.386 20 30 CGEDMO N#CCC1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816567416 632015247 /nfs/dbraw/zinc/01/52/47/632015247.db2.gz ZXSOOTGCTBWXRH-UHFFFAOYSA-N 1 1 282.746 3.310 20 30 CGEDMO C[N@H+](CCc1cccc(C#N)c1)Cc1ncccc1Cl ZINC000879432998 635787396 /nfs/dbraw/zinc/78/73/96/635787396.db2.gz RVTUSNFHECJOGV-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1ncccc1Cl ZINC000879432998 635787402 /nfs/dbraw/zinc/78/74/02/635787402.db2.gz RVTUSNFHECJOGV-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(F)nc1 ZINC000822525718 632963778 /nfs/dbraw/zinc/96/37/78/632963778.db2.gz KYZPCVTZBDWROD-LBPRGKRZSA-N 1 1 269.323 3.285 20 30 CGEDMO C=CC[C@H]1[N@H+](C[C@H]2CN(C3CC3)C(=O)O2)CCCC1(C)C ZINC000844324082 635870161 /nfs/dbraw/zinc/87/01/61/635870161.db2.gz LAWAYJVQZVDXBN-LSDHHAIUSA-N 1 1 292.423 3.036 20 30 CGEDMO Cc1occc1C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866246038 633043545 /nfs/dbraw/zinc/04/35/45/633043545.db2.gz GDSBJBXKXAYVPO-JTQLQIEISA-N 1 1 256.305 3.016 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)c1ccccc1F ZINC000823617173 633127524 /nfs/dbraw/zinc/12/75/24/633127524.db2.gz GJRYDYCBKIQYSW-ACJLOTCBSA-N 1 1 298.361 3.424 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)c1ccccc1 ZINC000823619135 633128272 /nfs/dbraw/zinc/12/82/72/633128272.db2.gz YBPBPSYSJGXNTI-KBXCAEBGSA-N 1 1 280.371 3.285 20 30 CGEDMO C#CCCC[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1 ZINC000823949773 633173920 /nfs/dbraw/zinc/17/39/20/633173920.db2.gz UARRNLCZLDGKMW-KRWDZBQOSA-N 1 1 284.447 3.085 20 30 CGEDMO C#CCCCC[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1 ZINC000823989804 633178513 /nfs/dbraw/zinc/17/85/13/633178513.db2.gz FQLQIWOTDWWPQW-SFHVURJKSA-N 1 1 298.474 3.475 20 30 CGEDMO C[C@H]([NH2+]Cc1nn(C)cc1C(F)F)c1ccc(C#N)cc1 ZINC000866568166 633198606 /nfs/dbraw/zinc/19/86/06/633198606.db2.gz WCTFVDCIQRWTJA-JTQLQIEISA-N 1 1 290.317 3.080 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1cc2ccccc2cc1OC ZINC000824297458 633226456 /nfs/dbraw/zinc/22/64/56/633226456.db2.gz SZHCOZZOTINTGT-CYBMUJFWSA-N 1 1 253.345 3.302 20 30 CGEDMO C#CC[N@@H+](Cc1ccnn1CCC)[C@@H]1CCc2ccccc21 ZINC000824474295 633248875 /nfs/dbraw/zinc/24/88/75/633248875.db2.gz MLFZYNBWNKSCSA-LJQANCHMSA-N 1 1 293.414 3.416 20 30 CGEDMO C#CC[N@H+](Cc1ccnn1CCC)[C@@H]1CCc2ccccc21 ZINC000824474295 633248877 /nfs/dbraw/zinc/24/88/77/633248877.db2.gz MLFZYNBWNKSCSA-LJQANCHMSA-N 1 1 293.414 3.416 20 30 CGEDMO C#CC[N@@H+](Cc1c(C(F)(F)F)cnn1C)C1CCCCC1 ZINC000824632501 633266817 /nfs/dbraw/zinc/26/68/17/633266817.db2.gz LTCYROHXBRXIEH-UHFFFAOYSA-N 1 1 299.340 3.207 20 30 CGEDMO C#CC[N@H+](Cc1c(C(F)(F)F)cnn1C)C1CCCCC1 ZINC000824632501 633266822 /nfs/dbraw/zinc/26/68/22/633266822.db2.gz LTCYROHXBRXIEH-UHFFFAOYSA-N 1 1 299.340 3.207 20 30 CGEDMO C#CC[N@H+](Cc1cc(COC)cs1)C1CCCC1 ZINC000824902372 633303937 /nfs/dbraw/zinc/30/39/37/633303937.db2.gz VQURBSVRMSJUJF-UHFFFAOYSA-N 1 1 263.406 3.272 20 30 CGEDMO N#CC1(c2ccc(C[N@@H+]3CCC[C@@H]3c3ncc[nH]3)cc2)CC1 ZINC000825514890 633360802 /nfs/dbraw/zinc/36/08/02/633360802.db2.gz SPFCGIIZKZFOAR-MRXNPFEDSA-N 1 1 292.386 3.302 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@@H]3c3ncc[nH]3)cc2)CC1 ZINC000825514890 633360809 /nfs/dbraw/zinc/36/08/09/633360809.db2.gz SPFCGIIZKZFOAR-MRXNPFEDSA-N 1 1 292.386 3.302 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2cnn3ccccc23)C1 ZINC000826947076 633445352 /nfs/dbraw/zinc/44/53/52/633445352.db2.gz NAORVCZUTPHXCR-CQSZACIVSA-N 1 1 255.365 3.122 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1c(C)oc2ccccc21 ZINC000827823261 633523013 /nfs/dbraw/zinc/52/30/13/633523013.db2.gz MUEPJRSTZMXOFI-UHFFFAOYSA-N 1 1 271.360 3.213 20 30 CGEDMO COc1cncc(/C=C\CC[N@@H+](CCC#N)CC(C)C)c1 ZINC000827936311 633536882 /nfs/dbraw/zinc/53/68/82/633536882.db2.gz JRDGZWXCSKSGGW-DAXSKMNVSA-N 1 1 287.407 3.365 20 30 CGEDMO C#CC[N@H+](CCc1ncc(C)cc1C)C1CCCC1 ZINC000827990222 633546425 /nfs/dbraw/zinc/54/64/25/633546425.db2.gz HOQCSEBNKWCOOC-UHFFFAOYSA-N 1 1 256.393 3.119 20 30 CGEDMO C=CC1(CC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)CCCCC1 ZINC000828962049 633673254 /nfs/dbraw/zinc/67/32/54/633673254.db2.gz YVJHDTUDOFZOQV-HZPDHXFCSA-N 1 1 290.451 3.208 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@@]1(C)Cc1ccccc1F ZINC000829764766 633778817 /nfs/dbraw/zinc/77/88/17/633778817.db2.gz WQMFSCSMQHCNIP-YOEHRIQHSA-N 1 1 290.382 3.151 20 30 CGEDMO C#CC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000829778452 633782221 /nfs/dbraw/zinc/78/22/21/633782221.db2.gz CFTFWALUWXAOKE-SJORKVTESA-N 1 1 298.430 3.366 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2csc(C3CC3)n2)C1 ZINC000829804651 633790251 /nfs/dbraw/zinc/79/02/51/633790251.db2.gz JMHYQOUPJZGDFA-GFCCVEGCSA-N 1 1 260.406 3.256 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](CCCCOC(C)(C)C)C1 ZINC000829810655 633791113 /nfs/dbraw/zinc/79/11/13/633791113.db2.gz SPBIDBGCSQAUAV-OAHLLOKOSA-N 1 1 251.414 3.317 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000829810089 633793203 /nfs/dbraw/zinc/79/32/03/633793203.db2.gz LSARKUVERZOHSM-LBPRGKRZSA-N 1 1 282.309 3.336 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000829811159 633794285 /nfs/dbraw/zinc/79/42/85/633794285.db2.gz YTFFSVQPQUWKKM-JKSUJKDBSA-N 1 1 261.409 3.214 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2ccnc(Br)c2)C1 ZINC000829815655 633796400 /nfs/dbraw/zinc/79/64/00/633796400.db2.gz QGQIBARSBZFLSK-LBPRGKRZSA-N 1 1 293.208 3.079 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccnc(Br)c2)C1 ZINC000829815655 633796407 /nfs/dbraw/zinc/79/64/07/633796407.db2.gz QGQIBARSBZFLSK-LBPRGKRZSA-N 1 1 293.208 3.079 20 30 CGEDMO CCCCCCC[N@H+]1CCN(C2CC2)C[C@H](C)C1 ZINC000830083137 633824699 /nfs/dbraw/zinc/82/46/99/633824699.db2.gz YWSCBHGXXIWJSJ-OAHLLOKOSA-N 1 1 252.446 3.373 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CC[C@H]([C@@H]2CCCC2(C)C)C1 ZINC000830178054 633836247 /nfs/dbraw/zinc/83/62/47/633836247.db2.gz UVEQHFJNVQWLGK-ILXRZTDVSA-N 1 1 264.413 3.063 20 30 CGEDMO C#CC1CC[NH+](Cc2nc(C(C)(C)C)cs2)CC1 ZINC000830329717 633850944 /nfs/dbraw/zinc/85/09/44/633850944.db2.gz CZBROVNFLUBRBF-UHFFFAOYSA-N 1 1 262.422 3.286 20 30 CGEDMO C#CC1CC[NH+](Cc2nc3c(cccc3F)n2CC)CC1 ZINC000830342927 633853291 /nfs/dbraw/zinc/85/32/91/633853291.db2.gz GUYXWODPKXOYBM-UHFFFAOYSA-N 1 1 285.366 3.041 20 30 CGEDMO Cc1cccc2c1CC(C)(C)[N@@H+](CCO[C@H](C)C#N)C2 ZINC000830755145 633884930 /nfs/dbraw/zinc/88/49/30/633884930.db2.gz YTUFVSGKPJNURC-CQSZACIVSA-N 1 1 272.392 3.060 20 30 CGEDMO CCCCCCCC[N@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000830817990 633890719 /nfs/dbraw/zinc/89/07/19/633890719.db2.gz JZPAMVOUEZNJGO-GVDBMIGSSA-N 1 1 283.456 3.209 20 30 CGEDMO C=C(C)CC[N@H+](C)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000831822463 634004199 /nfs/dbraw/zinc/00/41/99/634004199.db2.gz CRDBRUIESVYCRJ-UHFFFAOYSA-N 1 1 282.428 3.332 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000832298523 634043532 /nfs/dbraw/zinc/04/35/32/634043532.db2.gz OLBYJRGKRMHGOC-VXGBXAGGSA-N 1 1 267.335 3.202 20 30 CGEDMO C=C(Cl)C[C@H]([NH3+])c1nc(Cc2cc(C)cc(C)c2)no1 ZINC000872173296 634077431 /nfs/dbraw/zinc/07/74/31/634077431.db2.gz MYHFMERRCZLIBW-ZDUSSCGKSA-N 1 1 291.782 3.420 20 30 CGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2cc(C)cc(C)c2)no1 ZINC000872174640 634077912 /nfs/dbraw/zinc/07/79/12/634077912.db2.gz KIQUSEKQDRARIX-GFCCVEGCSA-N 1 1 277.755 3.496 20 30 CGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc([C@@H](C)C(C)(C)C)no1 ZINC000872175630 634078740 /nfs/dbraw/zinc/07/87/40/634078740.db2.gz NVCGVIRNQIVQRN-RKDXNWHRSA-N 1 1 257.765 3.362 20 30 CGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc([C@@H]2CCCCS2)no1 ZINC000872177468 634079004 /nfs/dbraw/zinc/07/90/04/634079004.db2.gz AOAPAFRJAZJCEP-BDAKNGLRSA-N 1 1 273.789 3.170 20 30 CGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc([C@H](C)C(C)(C)C)no1 ZINC000872175625 634079386 /nfs/dbraw/zinc/07/93/86/634079386.db2.gz NVCGVIRNQIVQRN-DTWKUNHWSA-N 1 1 257.765 3.362 20 30 CGEDMO C=C(Cl)C[C@H]([NH3+])c1nc(CC2(C)CCCC2)no1 ZINC000872182445 634080993 /nfs/dbraw/zinc/08/09/93/634080993.db2.gz MLASYVCXHLIDAY-JTQLQIEISA-N 1 1 269.776 3.335 20 30 CGEDMO FC1(F)CCC[C@@H]1CNN=C1CCC[N@H+]2CCCC[C@@H]12 ZINC000872405879 634134539 /nfs/dbraw/zinc/13/45/39/634134539.db2.gz QBVCXURIIKTGDP-OCCSQVGLSA-N 1 1 285.382 3.016 20 30 CGEDMO C#CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@H](C)n3ccnc32)cc1 ZINC000834896594 634273083 /nfs/dbraw/zinc/27/30/83/634273083.db2.gz LQDXFAUSFZQYAO-ZQIUZPCESA-N 1 1 295.386 3.252 20 30 CGEDMO CCc1nc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)co1 ZINC000834898232 634274207 /nfs/dbraw/zinc/27/42/07/634274207.db2.gz KLIBQZSNXJNSBE-MRXNPFEDSA-N 1 1 281.359 3.276 20 30 CGEDMO C#Cc1cccc(C[NH2+][C@H](C)c2csc(C)n2)c1 ZINC000834903030 634279968 /nfs/dbraw/zinc/27/99/68/634279968.db2.gz NWKWKOMTMWYQGT-LLVKDONJSA-N 1 1 256.374 3.284 20 30 CGEDMO C#CCON=C1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]12 ZINC000834980119 634303129 /nfs/dbraw/zinc/30/31/29/634303129.db2.gz VOACPDZKJRRWMX-AEFFLSMTSA-N 1 1 282.387 3.067 20 30 CGEDMO C[N@H+]1CCCC(N=Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000835009438 634314635 /nfs/dbraw/zinc/31/46/35/634314635.db2.gz SYODYVBELKPXMB-UHFFFAOYSA-N 1 1 296.758 3.132 20 30 CGEDMO CCC(CC)C[N@H+](CCC#N)Cc1cnc2c(cnn2C)c1 ZINC000876691675 634881607 /nfs/dbraw/zinc/88/16/07/634881607.db2.gz NTSHJKXXWWZSFD-UHFFFAOYSA-N 1 1 299.422 3.120 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)Cc1cnc2c(cnn2C)c1 ZINC000876691675 634881611 /nfs/dbraw/zinc/88/16/11/634881611.db2.gz NTSHJKXXWWZSFD-UHFFFAOYSA-N 1 1 299.422 3.120 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCCC[C@H]1CN1CCCC1=O ZINC000876730384 634887885 /nfs/dbraw/zinc/88/78/85/634887885.db2.gz IFNBVVHTHKIOQB-KRWDZBQOSA-N 1 1 290.451 3.047 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000876747143 634891470 /nfs/dbraw/zinc/89/14/70/634891470.db2.gz WZGKNZAUCCWTLH-SFHVURJKSA-N 1 1 287.403 3.349 20 30 CGEDMO C#CCCCCCC[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000876747143 634891472 /nfs/dbraw/zinc/89/14/72/634891472.db2.gz WZGKNZAUCCWTLH-SFHVURJKSA-N 1 1 287.403 3.349 20 30 CGEDMO CSCC[C@H](C)[N@H+](C)Cc1cc(C#N)cnc1Cl ZINC000876753565 634893133 /nfs/dbraw/zinc/89/31/33/634893133.db2.gz HMFUPNBSXOOACL-JTQLQIEISA-N 1 1 283.828 3.180 20 30 CGEDMO CSCC[C@H](C)[N@@H+](C)Cc1cc(C#N)cnc1Cl ZINC000876753565 634893136 /nfs/dbraw/zinc/89/31/36/634893136.db2.gz HMFUPNBSXOOACL-JTQLQIEISA-N 1 1 283.828 3.180 20 30 CGEDMO C#CCCCCCC[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000876811028 634903397 /nfs/dbraw/zinc/90/33/97/634903397.db2.gz GFVSHIDSJSPVTR-IAGOWNOFSA-N 1 1 263.425 3.319 20 30 CGEDMO CC(C)Oc1ccc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C#N ZINC000877174165 635007192 /nfs/dbraw/zinc/00/71/92/635007192.db2.gz BAKNBCHRLJMBJL-XJKSGUPXSA-N 1 1 287.407 3.240 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000877189597 635011033 /nfs/dbraw/zinc/01/10/33/635011033.db2.gz QAOCNSZXHDTIMD-CYBMUJFWSA-N 1 1 259.340 3.274 20 30 CGEDMO C[C@H]1C/C(=C\c2c[nH+]c(N(C)C)n2C)C(=O)c2ccccc21 ZINC000840717681 635041595 /nfs/dbraw/zinc/04/15/95/635041595.db2.gz WPHCKTKUHAKQGB-CVCOIXHCSA-N 1 1 295.386 3.260 20 30 CGEDMO CN(C)c1[nH+]cc(/C=C2\C(=O)c3ccccc3C2(C)C)n1C ZINC000840720370 635042256 /nfs/dbraw/zinc/04/22/56/635042256.db2.gz ZLXFLPYXRWAIBY-XNTDXEJSSA-N 1 1 295.386 3.044 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000877605224 635108741 /nfs/dbraw/zinc/10/87/41/635108741.db2.gz PNZDPQUASDNIOA-OAHLLOKOSA-N 1 1 264.372 3.470 20 30 CGEDMO N#CC1(C[NH2+]Cc2cccc(Cl)c2N)CCCC1 ZINC000877609626 635110608 /nfs/dbraw/zinc/11/06/08/635110608.db2.gz MLRLQXNOPVINET-UHFFFAOYSA-N 1 1 263.772 3.096 20 30 CGEDMO CSC(C)(C)CC[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000877609576 635110759 /nfs/dbraw/zinc/11/07/59/635110759.db2.gz MBNXUUYZGIYUDQ-HNNXBMFYSA-N 1 1 292.448 3.055 20 30 CGEDMO CC(C)(C)Oc1cccc(C[NH+]2CC(CC#N)C2)c1 ZINC000877625734 635119391 /nfs/dbraw/zinc/11/93/91/635119391.db2.gz RFUOORNXDJNWTG-UHFFFAOYSA-N 1 1 258.365 3.209 20 30 CGEDMO Cc1ccc(C[N@@H+](C)CCc2cccc(C#N)c2)c(O)c1 ZINC000877704374 635157652 /nfs/dbraw/zinc/15/76/52/635157652.db2.gz HFHURSGABGIASU-UHFFFAOYSA-N 1 1 280.371 3.247 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3CC[C@@H]4CSC[C@H]4C3)cc2)CC1 ZINC000877737599 635170939 /nfs/dbraw/zinc/17/09/39/635170939.db2.gz JSISNVQXBQVUIV-HZPDHXFCSA-N 1 1 298.455 3.427 20 30 CGEDMO CC(C)c1cc([C@H]2CCC[N@@H+](Cc3ccc(C#N)o3)C2)[nH]n1 ZINC000877783608 635203352 /nfs/dbraw/zinc/20/33/52/635203352.db2.gz BCCFWFVYDJBVJL-ZDUSSCGKSA-N 1 1 298.390 3.377 20 30 CGEDMO CC(C)c1cc([C@H]2CCC[N@H+](Cc3ccc(C#N)o3)C2)n[nH]1 ZINC000877783608 635203358 /nfs/dbraw/zinc/20/33/58/635203358.db2.gz BCCFWFVYDJBVJL-ZDUSSCGKSA-N 1 1 298.390 3.377 20 30 CGEDMO CC(C)c1cc([C@H]2CCC[N@@H+](Cc3ccc(C#N)o3)C2)n[nH]1 ZINC000877783608 635203365 /nfs/dbraw/zinc/20/33/65/635203365.db2.gz BCCFWFVYDJBVJL-ZDUSSCGKSA-N 1 1 298.390 3.377 20 30 CGEDMO CC([NH2+]Nc1cccc(F)c1[N+](=O)[O-])=C1CC1(F)F ZINC000841636919 635205627 /nfs/dbraw/zinc/20/56/27/635205627.db2.gz QANCAXZECQJRQG-ZETCQYMHSA-N 1 1 273.214 3.177 20 30 CGEDMO COC(=O)c1cccc(N[NH2+]C(C)=C2CC2(F)F)c1F ZINC000841642804 635207406 /nfs/dbraw/zinc/20/74/06/635207406.db2.gz AMFPZLAPLPTVDL-VIFPVBQESA-N 1 1 286.253 3.055 20 30 CGEDMO CN(C)c1ccc(/C=C/C[NH2+]CC2(C#N)CCC2)cc1 ZINC000841897949 635250008 /nfs/dbraw/zinc/25/00/08/635250008.db2.gz JHZNBUCPTKXQDY-HWKANZROSA-N 1 1 269.392 3.049 20 30 CGEDMO CC(C)CC(N)=[NH+]OCCC1(C#N)CCCCC1 ZINC000842025740 635257429 /nfs/dbraw/zinc/25/74/29/635257429.db2.gz RQVDPICKMQMKPZ-UHFFFAOYSA-N 1 1 251.374 3.395 20 30 CGEDMO C[N@@H+](C[C@H](O)c1cccc(C#N)c1)[C@H]1C[C@H]1c1ccccc1 ZINC000842151957 635295852 /nfs/dbraw/zinc/29/58/52/635295852.db2.gz DWQZVWXRHVASRT-FHWLQOOXSA-N 1 1 292.382 3.080 20 30 CGEDMO CC[N@@H+](CC[C@H](O)C(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000877990412 635309053 /nfs/dbraw/zinc/30/90/53/635309053.db2.gz DVTGNQUSCJSQMA-YOEHRIQHSA-N 1 1 274.408 3.348 20 30 CGEDMO CC[N@H+](Cc1nocc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000877992302 635310279 /nfs/dbraw/zinc/31/02/79/635310279.db2.gz XQXYVTHRTQQSGQ-ZDUSSCGKSA-N 1 1 269.348 3.438 20 30 CGEDMO CC[N@@H+](Cc1nocc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000877992302 635310285 /nfs/dbraw/zinc/31/02/85/635310285.db2.gz XQXYVTHRTQQSGQ-ZDUSSCGKSA-N 1 1 269.348 3.438 20 30 CGEDMO C#CCCCCC[N@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000878011653 635319120 /nfs/dbraw/zinc/31/91/20/635319120.db2.gz ZOYBQZDNFJLLAK-UHFFFAOYSA-N 1 1 284.403 3.200 20 30 CGEDMO CCC[N@@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)C1CC1 ZINC000878056442 635339463 /nfs/dbraw/zinc/33/94/63/635339463.db2.gz VZKIFGGSDYRNAT-GOSISDBHSA-N 1 1 284.403 3.301 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878159909 635385161 /nfs/dbraw/zinc/38/51/61/635385161.db2.gz ZTPOKZCEFOCWGQ-OWCLPIDISA-N 1 1 264.413 3.206 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878159909 635385164 /nfs/dbraw/zinc/38/51/64/635385164.db2.gz ZTPOKZCEFOCWGQ-OWCLPIDISA-N 1 1 264.413 3.206 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@@H](C)[C@@H]1C)c1ccccc1 ZINC000878165157 635389582 /nfs/dbraw/zinc/38/95/82/635389582.db2.gz SFOYJNKEDKUTRK-RVKKMQEKSA-N 1 1 284.403 3.157 20 30 CGEDMO C=C(C)[C@@H](CC(=O)OC[C@H]1CCC[N@H+](C(C)C)C1)OCC ZINC000842831142 635485349 /nfs/dbraw/zinc/48/53/49/635485349.db2.gz QCVDZTJDLSQBAU-JKSUJKDBSA-N 1 1 297.439 3.021 20 30 CGEDMO C#CCCCCC[N@@H+]1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000878435570 635509034 /nfs/dbraw/zinc/50/90/34/635509034.db2.gz NHYUNZURIUVMFG-INIZCTEOSA-N 1 1 279.424 3.234 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000878634855 635582997 /nfs/dbraw/zinc/58/29/97/635582997.db2.gz NAZXBSDPYKOUEV-SJLPKXTDSA-N 1 1 273.420 3.268 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(OC)c(C)c2)C1 ZINC000843423980 635668913 /nfs/dbraw/zinc/66/89/13/635668913.db2.gz NIWDINORTUMUGU-HNNXBMFYSA-N 1 1 257.377 3.239 20 30 CGEDMO N#CC[C@@]1(O)CC[N@@H+](Cc2ccccc2-c2ccccc2)C1 ZINC000843425419 635669948 /nfs/dbraw/zinc/66/99/48/635669948.db2.gz NYTHIGFWTACUPM-LJQANCHMSA-N 1 1 292.382 3.204 20 30 CGEDMO C#Cc1cccc(N(C)C(=O)C[C@@H](C)n2cc[nH+]c2CC)c1 ZINC000843789480 635781375 /nfs/dbraw/zinc/78/13/75/635781375.db2.gz RAOKWHGTRXZXCW-CQSZACIVSA-N 1 1 295.386 3.041 20 30 CGEDMO C=C(C)CC[N@@H+]1CCO[C@H](c2ccccc2OC)C1 ZINC000879631451 635822308 /nfs/dbraw/zinc/82/23/08/635822308.db2.gz SRXKGKWFDHLXHN-INIZCTEOSA-N 1 1 261.365 3.035 20 30 CGEDMO C=C(C)CC[N@H+]1CCO[C@H](c2ccccc2OC)C1 ZINC000879631451 635822313 /nfs/dbraw/zinc/82/23/13/635822313.db2.gz SRXKGKWFDHLXHN-INIZCTEOSA-N 1 1 261.365 3.035 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCO[C@@H](c2ccccc2OC)C1 ZINC000879629294 635822428 /nfs/dbraw/zinc/82/24/28/635822428.db2.gz KYWHIKXFGNOFGR-XJKSGUPXSA-N 1 1 261.365 3.033 20 30 CGEDMO C=CC[C@H](C)[N@@H+]1CCO[C@@H](c2ccccc2OC)C1 ZINC000879629294 635822433 /nfs/dbraw/zinc/82/24/33/635822433.db2.gz KYWHIKXFGNOFGR-XJKSGUPXSA-N 1 1 261.365 3.033 20 30 CGEDMO C#CCCCCC[N@H+]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC000879636306 635824029 /nfs/dbraw/zinc/82/40/29/635824029.db2.gz MFLCFUVFKFMQNR-SFHVURJKSA-N 1 1 287.403 3.262 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CC[C@H](c2ccccc2F)C1(C)C ZINC000879641468 635825753 /nfs/dbraw/zinc/82/57/53/635825753.db2.gz YIWALFOYGBFBKX-UKRRQHHQSA-N 1 1 290.382 3.322 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)OC(C)(C)C ZINC000879755366 635856128 /nfs/dbraw/zinc/85/61/28/635856128.db2.gz SFEINGHIJTUXNR-KGLIPLIRSA-N 1 1 280.412 3.036 20 30 CGEDMO C=C(Br)C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844439144 635901965 /nfs/dbraw/zinc/90/19/65/635901965.db2.gz NHWMTMBMDFHFTF-VIFPVBQESA-N 1 1 266.129 3.016 20 30 CGEDMO C=C(Br)C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844439144 635901967 /nfs/dbraw/zinc/90/19/67/635901967.db2.gz NHWMTMBMDFHFTF-VIFPVBQESA-N 1 1 266.129 3.016 20 30 CGEDMO C=C(C)C[N@H+](C)CN1CC(c2ccc(Cl)cc2)=CC1=O ZINC000844697093 635955207 /nfs/dbraw/zinc/95/52/07/635955207.db2.gz DLMQESJUICOUJZ-UHFFFAOYSA-N 1 1 290.794 3.031 20 30 CGEDMO C=C(C)C[N@@H+](C)CN1CC(c2ccc(Cl)cc2)=CC1=O ZINC000844697093 635955208 /nfs/dbraw/zinc/95/52/08/635955208.db2.gz DLMQESJUICOUJZ-UHFFFAOYSA-N 1 1 290.794 3.031 20 30 CGEDMO C=CCCC[C@@H]([NH2+]Cc1ncnn1CC)c1ccccc1 ZINC000880390886 635992873 /nfs/dbraw/zinc/99/28/73/635992873.db2.gz XUOPNVABYBPOAI-MRXNPFEDSA-N 1 1 284.407 3.485 20 30 CGEDMO CC[N@@H+](CCCC(C)(C)C#N)[C@H](CO)c1ccccc1 ZINC000880461919 636005175 /nfs/dbraw/zinc/00/51/75/636005175.db2.gz MZGPYCNSDSVWCU-MRXNPFEDSA-N 1 1 274.408 3.372 20 30 CGEDMO C#CCC1(O)CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000880477728 636008169 /nfs/dbraw/zinc/00/81/69/636008169.db2.gz UJQYEHNZGGHMHX-UHFFFAOYSA-N 1 1 298.213 3.344 20 30 CGEDMO C=CCCn1cc(C[N@H+]2CCCC3(CCCC3)C2)nn1 ZINC000846866006 636264699 /nfs/dbraw/zinc/26/46/99/636264699.db2.gz ADLVDMHFMYWDRK-UHFFFAOYSA-N 1 1 274.412 3.010 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2cnc(Cl)c(F)c2)C1 ZINC000847000812 636305066 /nfs/dbraw/zinc/30/50/66/636305066.db2.gz BGTDTXRFTCCGBN-LLVKDONJSA-N 1 1 266.747 3.109 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cnc(Cl)c(F)c2)C1 ZINC000847000812 636305070 /nfs/dbraw/zinc/30/50/70/636305070.db2.gz BGTDTXRFTCCGBN-LLVKDONJSA-N 1 1 266.747 3.109 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000847022173 636313452 /nfs/dbraw/zinc/31/34/52/636313452.db2.gz FTONWDQCWKJAAV-UONOGXRCSA-N 1 1 281.359 3.143 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000847022173 636313453 /nfs/dbraw/zinc/31/34/53/636313453.db2.gz FTONWDQCWKJAAV-UONOGXRCSA-N 1 1 281.359 3.143 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cccc(OC(C)C)c2)C1 ZINC000847021864 636313526 /nfs/dbraw/zinc/31/35/26/636313526.db2.gz CDXBMMUUEQEXSF-HNNXBMFYSA-N 1 1 257.377 3.319 20 30 CGEDMO C=CCC[C@@H](Nc1cc(CCOC)cc[nH+]1)[C@H]1CCCO1 ZINC000883221991 636595428 /nfs/dbraw/zinc/59/54/28/636595428.db2.gz LGDBGONXHBIGJA-HZPDHXFCSA-N 1 1 290.407 3.196 20 30 CGEDMO C[C@@H](c1noc([C@H]([NH3+])CCCCC#N)n1)C(C)(C)C ZINC000848623123 636617496 /nfs/dbraw/zinc/61/74/96/636617496.db2.gz FJWMROAQFGOTSQ-WDEREUQCSA-N 1 1 264.373 3.303 20 30 CGEDMO Cc1cc(-c2noc([C@H]([NH3+])CCCCC#N)n2)c(C)o1 ZINC000848627787 636623420 /nfs/dbraw/zinc/62/34/20/636623420.db2.gz LEXGPRGYJSTMTR-GFCCVEGCSA-N 1 1 274.324 3.030 20 30 CGEDMO C#CC[N@@H+](Cc1cn(-c2ccc(C)cc2)nc1C)C1CC1 ZINC000848902290 636682574 /nfs/dbraw/zinc/68/25/74/636682574.db2.gz BXHUCVMWGGKFQP-UHFFFAOYSA-N 1 1 279.387 3.087 20 30 CGEDMO C#CC[N@H+](Cc1cn(-c2ccc(C)cc2)nc1C)C1CC1 ZINC000848902290 636682578 /nfs/dbraw/zinc/68/25/78/636682578.db2.gz BXHUCVMWGGKFQP-UHFFFAOYSA-N 1 1 279.387 3.087 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cnc(Cl)n1C ZINC000848918219 636690920 /nfs/dbraw/zinc/69/09/20/636690920.db2.gz SIVCPMMCKCNXFQ-NSHDSACASA-N 1 1 288.782 3.138 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cnc(Cl)n1C ZINC000848918219 636690924 /nfs/dbraw/zinc/69/09/24/636690924.db2.gz SIVCPMMCKCNXFQ-NSHDSACASA-N 1 1 288.782 3.138 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000848923677 636693547 /nfs/dbraw/zinc/69/35/47/636693547.db2.gz IENQCXYFORSSJE-JTQLQIEISA-N 1 1 267.731 3.030 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000848923677 636693554 /nfs/dbraw/zinc/69/35/54/636693554.db2.gz IENQCXYFORSSJE-JTQLQIEISA-N 1 1 267.731 3.030 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2c(C)nc3scc(C4CC4)n23)C1 ZINC000848924055 636695629 /nfs/dbraw/zinc/69/56/29/636695629.db2.gz MQJQEBNWJYHGST-CYBMUJFWSA-N 1 1 299.443 3.427 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000848924150 636695681 /nfs/dbraw/zinc/69/56/81/636695681.db2.gz OQUZQXLQRQHNGU-LBPRGKRZSA-N 1 1 285.416 3.118 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1cscn1 ZINC000850359905 637027797 /nfs/dbraw/zinc/02/77/97/637027797.db2.gz VVVKETINLFRCDK-NWDGAFQWSA-N 1 1 287.388 3.285 20 30 CGEDMO C#CCOc1ccccc1C[NH2+]CC1(C#N)CCCCC1 ZINC000850390833 637043904 /nfs/dbraw/zinc/04/39/04/637043904.db2.gz UUJNDQDFXIJKFL-UHFFFAOYSA-N 1 1 282.387 3.262 20 30 CGEDMO C=CCOCCC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000850532009 637109511 /nfs/dbraw/zinc/10/95/11/637109511.db2.gz PJTFUYQQTVMNMG-LLVKDONJSA-N 1 1 269.772 3.289 20 30 CGEDMO C[C@H](c1cccs1)[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000885959413 637332909 /nfs/dbraw/zinc/33/29/09/637332909.db2.gz ZZTYYMRDGJFHCM-OLZOCXBDSA-N 1 1 278.421 3.186 20 30 CGEDMO CCC(CC)[N@@H+](C[C@H](O)CC1(C#N)CCC1)C1CC1 ZINC000885979969 637341305 /nfs/dbraw/zinc/34/13/05/637341305.db2.gz QCROZEAVMNNMQE-OAHLLOKOSA-N 1 1 264.413 3.084 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@@]3(CC=CCC3)C2)CCC1 ZINC000886011054 637358848 /nfs/dbraw/zinc/35/88/48/637358848.db2.gz VATKYAKPALVHIW-SJORKVTESA-N 1 1 288.435 3.254 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000886017366 637365943 /nfs/dbraw/zinc/36/59/43/637365943.db2.gz YXWQOMSKJIPLMN-CABCVRRESA-N 1 1 264.413 3.206 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000886017366 637365949 /nfs/dbraw/zinc/36/59/49/637365949.db2.gz YXWQOMSKJIPLMN-CABCVRRESA-N 1 1 264.413 3.206 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@H](c3ccccc3)C2)CCC1 ZINC000886215398 637460474 /nfs/dbraw/zinc/46/04/74/637460474.db2.gz JRJDJAULDAUXMA-ZWKOTPCHSA-N 1 1 298.430 3.311 20 30 CGEDMO C#CC[N@@H+](Cc1cc(C)nc(C)n1)[C@H]1CCc2ccccc21 ZINC000851734893 637483344 /nfs/dbraw/zinc/48/33/44/637483344.db2.gz AGJBSGIETQPLJY-IBGZPJMESA-N 1 1 291.398 3.216 20 30 CGEDMO C#CC[N@H+](Cc1cc(C)nc(C)n1)[C@H]1CCc2ccccc21 ZINC000851734893 637483348 /nfs/dbraw/zinc/48/33/48/637483348.db2.gz AGJBSGIETQPLJY-IBGZPJMESA-N 1 1 291.398 3.216 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CC[C@H](OC)C1 ZINC000851738459 637485284 /nfs/dbraw/zinc/48/52/84/637485284.db2.gz HKNJLGOGRSGEAF-SJORKVTESA-N 1 1 270.376 3.114 20 30 CGEDMO Cc1cccc2c1CC[N@@H+](CCc1ccc(C#N)cc1)C2 ZINC000851753170 637492991 /nfs/dbraw/zinc/49/29/91/637492991.db2.gz SULSODFKQHUEQI-UHFFFAOYSA-N 1 1 276.383 3.468 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2coc(-c3ccc(OC)cc3)n2)C1 ZINC000886353307 637509717 /nfs/dbraw/zinc/50/97/17/637509717.db2.gz GJRHQYNTKLVCRE-AWEZNQCLSA-N 1 1 296.370 3.195 20 30 CGEDMO C#CC[C@@H]1CC[N@H+]([C@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC000886357823 637513060 /nfs/dbraw/zinc/51/30/60/637513060.db2.gz MHPLQTHCBDGRLD-HUUCEWRRSA-N 1 1 295.386 3.451 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000886360363 637513265 /nfs/dbraw/zinc/51/32/65/637513265.db2.gz VCGWBIFSRDBTDH-GFCCVEGCSA-N 1 1 290.313 3.005 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2nnc(-c3ccccc3)s2)C1 ZINC000886363771 637513775 /nfs/dbraw/zinc/51/37/75/637513775.db2.gz CRFYOBKWYXVGOP-CYBMUJFWSA-N 1 1 283.400 3.050 20 30 CGEDMO N#Cc1cccc([C@@H]2C[N@@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)CCO2)c1 ZINC000851882046 637530598 /nfs/dbraw/zinc/53/05/98/637530598.db2.gz UBDNYBWVGYUBFT-FPAYPSAMSA-N 1 1 296.414 3.368 20 30 CGEDMO C=CCOc1ccccc1C[NH2+][C@@H]1CCc2cccnc21 ZINC000886526867 637552597 /nfs/dbraw/zinc/55/25/97/637552597.db2.gz UEJQNDYOPZKQQD-MRXNPFEDSA-N 1 1 280.371 3.424 20 30 CGEDMO C=C(C)C[N@H+](CCC(OC)OC)Cc1ccccc1 ZINC000851997450 637566725 /nfs/dbraw/zinc/56/67/25/637566725.db2.gz KXLHZGVWFUQBTG-UHFFFAOYSA-N 1 1 263.381 3.074 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+]Cc1ncc(-c2ccccc2)o1 ZINC000852098696 637592825 /nfs/dbraw/zinc/59/28/25/637592825.db2.gz UBBYNCMQBLMLMO-INIZCTEOSA-N 1 1 254.333 3.233 20 30 CGEDMO C#C[C@](C)(CC)[NH2+]Cc1csc([C@H](C)OCC)n1 ZINC000852102272 637595624 /nfs/dbraw/zinc/59/56/24/637595624.db2.gz KLRDWLSZQAGXBN-SMDDNHRTSA-N 1 1 266.410 3.132 20 30 CGEDMO C#C[C@](C)(CC)[NH2+]Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000852103906 637596965 /nfs/dbraw/zinc/59/69/65/637596965.db2.gz VEMRWLRNQVGVLY-MRXNPFEDSA-N 1 1 289.329 3.042 20 30 CGEDMO N#Cc1ccc(CC[N@@H+]2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000852214294 637617629 /nfs/dbraw/zinc/61/76/29/637617629.db2.gz UXGRAMHLAMQVLI-OAHLLOKOSA-N 1 1 276.330 3.222 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](CCc2nsc3ccccc32)C1 ZINC000852215504 637619189 /nfs/dbraw/zinc/61/91/89/637619189.db2.gz JYCNIOAMHRCWPL-CYBMUJFWSA-N 1 1 270.401 3.184 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](C[C@H](O)c2cccc3ccccc32)C1 ZINC000852320191 637634453 /nfs/dbraw/zinc/63/44/53/637634453.db2.gz XIEQURZXQGDUHW-BEFAXECRSA-N 1 1 294.398 3.499 20 30 CGEDMO C=CC[N@@H+](C[C@]1(C)CC1(Cl)Cl)[C@@H](C)COC ZINC000852356582 637641906 /nfs/dbraw/zinc/64/19/06/637641906.db2.gz IULZRHHJKZTXDW-QWRGUYRKSA-N 1 1 266.212 3.093 20 30 CGEDMO C=CC[N@@H+](C[C@H](O)c1cccc2ccccc21)[C@@H](C)COC ZINC000852356302 637642704 /nfs/dbraw/zinc/64/27/04/637642704.db2.gz AIQHEBDJCYDKOK-KXBFYZLASA-N 1 1 299.414 3.396 20 30 CGEDMO CC(C)c1ccc2c(c1)C[N@H+](CCO[C@H](C)C#N)CC2 ZINC000852406221 637646697 /nfs/dbraw/zinc/64/66/97/637646697.db2.gz IRCYGDRBJSKIML-CQSZACIVSA-N 1 1 272.392 3.097 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+]([C@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC000852408950 637646811 /nfs/dbraw/zinc/64/68/11/637646811.db2.gz DKSPNTOKPZUQKR-RDJZCZTQSA-N 1 1 298.386 3.060 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC000852408950 637646822 /nfs/dbraw/zinc/64/68/22/637646822.db2.gz DKSPNTOKPZUQKR-RDJZCZTQSA-N 1 1 298.386 3.060 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](Cc2nc(C)cs2)C1 ZINC000886692149 637652174 /nfs/dbraw/zinc/65/21/74/637652174.db2.gz SSFBEDQUFWKQSR-ZDUSSCGKSA-N 1 1 250.411 3.282 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)c1ccc(C)cc1 ZINC000852685814 637695395 /nfs/dbraw/zinc/69/53/95/637695395.db2.gz KTWATSGDWVPDDJ-BBWFWOEESA-N 1 1 257.377 3.211 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886821407 637705852 /nfs/dbraw/zinc/70/58/52/637705852.db2.gz BVLXMAWTVIEVHE-BBRMVZONSA-N 1 1 290.794 3.213 20 30 CGEDMO N#CCCC[N@@H+]1CCCC[C@@H]1CC1(O)CCCCC1 ZINC000887034424 637732125 /nfs/dbraw/zinc/73/21/25/637732125.db2.gz UWFDHLYWODVMRG-OAHLLOKOSA-N 1 1 264.413 3.230 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1Cc2ccccc2OC2(CCC2)C1 ZINC000887150165 637764419 /nfs/dbraw/zinc/76/44/19/637764419.db2.gz ZJBMFAWMKNHXIW-INIZCTEOSA-N 1 1 287.403 3.131 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](CN2CCN(c3ccccc3)C2=O)C1 ZINC000853536619 637863835 /nfs/dbraw/zinc/86/38/35/637863835.db2.gz FVPLEVQZYSCENL-INIZCTEOSA-N 1 1 299.418 3.174 20 30 CGEDMO CC[C@@H](CO[NH+]=C(N)c1ccc(OC)cc1)CC(F)F ZINC000853654145 637883766 /nfs/dbraw/zinc/88/37/66/637883766.db2.gz PPEOQJBXCPNSNP-SNVBAGLBSA-N 1 1 286.322 3.014 20 30 CGEDMO C=C1CCC(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000887767846 637901996 /nfs/dbraw/zinc/90/19/96/637901996.db2.gz ZIKWBHMPRUHIPX-SFHVURJKSA-N 1 1 298.430 3.248 20 30 CGEDMO C=C1CCC(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000887767846 637902006 /nfs/dbraw/zinc/90/20/06/637902006.db2.gz ZIKWBHMPRUHIPX-SFHVURJKSA-N 1 1 298.430 3.248 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@]1(C)CCCO ZINC000930160760 638169202 /nfs/dbraw/zinc/16/92/02/638169202.db2.gz YFGBCGMFJFROSN-GOSISDBHSA-N 1 1 286.419 3.302 20 30 CGEDMO CC[C@H]1CCCC[N@@H+]1CCN[C@@H](C)CC(C)(C)C#N ZINC000925052198 638443981 /nfs/dbraw/zinc/44/39/81/638443981.db2.gz PHGCKMATQWCTNW-GJZGRUSLSA-N 1 1 265.445 3.169 20 30 CGEDMO CC[C@H]1CCCC[N@H+]1CCN[C@@H](C)CC(C)(C)C#N ZINC000925052198 638443985 /nfs/dbraw/zinc/44/39/85/638443985.db2.gz PHGCKMATQWCTNW-GJZGRUSLSA-N 1 1 265.445 3.169 20 30 CGEDMO C[C@H](CC(C)(C)C#N)[NH2+][C@@H](CCN(C)C)C(C)(C)C ZINC000925086300 638448327 /nfs/dbraw/zinc/44/83/27/638448327.db2.gz NAGKJOWFCMCGEN-KGLIPLIRSA-N 1 1 267.461 3.271 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@@H]2CCCc3cn[nH]c32)cc1Cl ZINC000857867454 638587885 /nfs/dbraw/zinc/58/78/85/638587885.db2.gz YMKRHGKDXDYSSE-CQSZACIVSA-N 1 1 286.766 3.102 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@@H]2CCCc3c[nH]nc32)cc1Cl ZINC000857867454 638587892 /nfs/dbraw/zinc/58/78/92/638587892.db2.gz YMKRHGKDXDYSSE-CQSZACIVSA-N 1 1 286.766 3.102 20 30 CGEDMO N#Cc1ccc(F)c(CN[C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000925815043 638621139 /nfs/dbraw/zinc/62/11/39/638621139.db2.gz SOBGYIXKQQFBEB-SFHVURJKSA-N 1 1 297.377 3.267 20 30 CGEDMO CCc1noc(C)c1C[NH2+][C@H](CC)c1cccc(C#N)c1O ZINC000926480621 638775678 /nfs/dbraw/zinc/77/56/78/638775678.db2.gz GJJWCTMVARYECA-OAHLLOKOSA-N 1 1 299.374 3.364 20 30 CGEDMO C=CCn1ncc2ccc(N[C@H]3CC[N@H+](CC)C[C@H]3C)cc21 ZINC000927069776 638837871 /nfs/dbraw/zinc/83/78/71/638837871.db2.gz CFZGQQMEUKWDCS-PBHICJAKSA-N 1 1 298.434 3.365 20 30 CGEDMO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1cncc(C#N)c1 ZINC000929161346 638904063 /nfs/dbraw/zinc/90/40/63/638904063.db2.gz WVTMETISNCJGIH-NSHDSACASA-N 1 1 287.313 3.424 20 30 CGEDMO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1cncc(C#N)c1 ZINC000929161346 638904065 /nfs/dbraw/zinc/90/40/65/638904065.db2.gz WVTMETISNCJGIH-NSHDSACASA-N 1 1 287.313 3.424 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@H+](C)Cc2ccc(C)o2)cc1 ZINC000929213765 638909406 /nfs/dbraw/zinc/90/94/06/638909406.db2.gz RDDJSLGQGXMGGS-UHFFFAOYSA-N 1 1 296.370 3.030 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC000929253893 638912360 /nfs/dbraw/zinc/91/23/60/638912360.db2.gz GKMGKFVWCSDVCF-LEOMRAHMSA-N 1 1 284.403 3.390 20 30 CGEDMO CC[N@@H+](CCOC1CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000929330429 638918839 /nfs/dbraw/zinc/91/88/39/638918839.db2.gz GKCWLEPYRHHRJA-ZDUSSCGKSA-N 1 1 258.365 3.120 20 30 CGEDMO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cncc(C#N)c1 ZINC000929491979 638928411 /nfs/dbraw/zinc/92/84/11/638928411.db2.gz ATJMDOFGNRTGHE-KRWDZBQOSA-N 1 1 293.370 3.299 20 30 CGEDMO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1cncc(C#N)c1 ZINC000929491979 638928413 /nfs/dbraw/zinc/92/84/13/638928413.db2.gz ATJMDOFGNRTGHE-KRWDZBQOSA-N 1 1 293.370 3.299 20 30 CGEDMO CC(C)C[N@H+](CCC#N)C[C@H](C)C(=O)c1ccc(O)cc1 ZINC000929688936 638941492 /nfs/dbraw/zinc/94/14/92/638941492.db2.gz YDCGHBJMKNMFHZ-AWEZNQCLSA-N 1 1 288.391 3.083 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)C[C@H](C)C(=O)c1ccc(O)cc1 ZINC000929688936 638941494 /nfs/dbraw/zinc/94/14/94/638941494.db2.gz YDCGHBJMKNMFHZ-AWEZNQCLSA-N 1 1 288.391 3.083 20 30 CGEDMO CN1CCCC[C@H]1CC[N@H+](C)CC1CCC(C#N)CC1 ZINC000929722808 638945472 /nfs/dbraw/zinc/94/54/72/638945472.db2.gz PXAACIRVQKAJEC-JCYILVPMSA-N 1 1 277.456 3.123 20 30 CGEDMO CN1CCCC[C@H]1CC[N@@H+](C)CC1CCC(C#N)CC1 ZINC000929722808 638945473 /nfs/dbraw/zinc/94/54/73/638945473.db2.gz PXAACIRVQKAJEC-JCYILVPMSA-N 1 1 277.456 3.123 20 30 CGEDMO COC/C(C)=C/C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000929758444 638948007 /nfs/dbraw/zinc/94/80/07/638948007.db2.gz ZDERIDOTMIRYHY-SVEZXWBTSA-N 1 1 284.403 3.351 20 30 CGEDMO COC/C(C)=C/C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000929758444 638948009 /nfs/dbraw/zinc/94/80/09/638948009.db2.gz ZDERIDOTMIRYHY-SVEZXWBTSA-N 1 1 284.403 3.351 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](CCCCC1(C#N)CCC1)C1CC1 ZINC000930087683 638973530 /nfs/dbraw/zinc/97/35/30/638973530.db2.gz VAJUFUZWNTYMKM-AWEZNQCLSA-N 1 1 259.397 3.475 20 30 CGEDMO C[C@H](c1ccncc1)[N@@H+](C)CC1CCC(C#N)CC1 ZINC000930119260 638975866 /nfs/dbraw/zinc/97/58/66/638975866.db2.gz MRVSAHVJOBSBGU-WLYUNCDWSA-N 1 1 257.381 3.404 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCCC[C@@H]1C[C@@H](C)O ZINC000930268919 638987523 /nfs/dbraw/zinc/98/75/23/638987523.db2.gz SPXWQZQLJPVAKJ-NVXWUHKLSA-N 1 1 286.419 3.301 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCC[C@H]2[C@H]2CCCO2)CCC1 ZINC000930365807 638993005 /nfs/dbraw/zinc/99/30/05/638993005.db2.gz RMRVJYWBZPDAHO-JKSUJKDBSA-N 1 1 276.424 3.494 20 30 CGEDMO CCCCCCC[C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC000858682455 639011927 /nfs/dbraw/zinc/01/19/27/639011927.db2.gz LYQWEJILSJOBEF-CQSZACIVSA-N 1 1 279.428 3.304 20 30 CGEDMO CC[N@H+](Cc1c(C)cc(C#N)cc1C)C[C@H](C)OC ZINC000930538112 639021243 /nfs/dbraw/zinc/02/12/43/639021243.db2.gz FGMYIGQWRWFRSH-AWEZNQCLSA-N 1 1 260.381 3.032 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCC[C@H](c3ccccc3)C2)c1 ZINC000930565027 639026908 /nfs/dbraw/zinc/02/69/08/639026908.db2.gz RGRXTLFQQDVLME-SFHVURJKSA-N 1 1 277.371 3.333 20 30 CGEDMO C[N@@H+](CCCCC1(C#N)CCC1)Cc1ccccn1 ZINC000930615548 639038939 /nfs/dbraw/zinc/03/89/39/639038939.db2.gz RFABGZZPYDSCNO-UHFFFAOYSA-N 1 1 257.381 3.378 20 30 CGEDMO COCCCC[N@@H+](C)CCCCC1(C#N)CCC1 ZINC000930743483 639062333 /nfs/dbraw/zinc/06/23/33/639062333.db2.gz FJQDKFHWFRDETL-UHFFFAOYSA-N 1 1 252.402 3.209 20 30 CGEDMO C[C@H]1C[N@@H+](CC2CCC(C#N)CC2)CC2(CCCC2)O1 ZINC000930828248 639073994 /nfs/dbraw/zinc/07/39/94/639073994.db2.gz ZFYKOVBRVOCIHC-FHERZECASA-N 1 1 276.424 3.350 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCC[C@@H](OC3CCC3)C2)CC1 ZINC000930884931 639082516 /nfs/dbraw/zinc/08/25/16/639082516.db2.gz JGOHUAXUPYQSFJ-VMBOVVBDSA-N 1 1 276.424 3.350 20 30 CGEDMO C[C@@H](c1ccc(F)nc1)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000931332573 639136406 /nfs/dbraw/zinc/13/64/06/639136406.db2.gz IXUGVVYTCDDTKY-ZDUSSCGKSA-N 1 1 295.361 3.406 20 30 CGEDMO C[C@@H](c1ccc(F)nc1)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000931332573 639136409 /nfs/dbraw/zinc/13/64/09/639136409.db2.gz IXUGVVYTCDDTKY-ZDUSSCGKSA-N 1 1 295.361 3.406 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC000931372001 639141866 /nfs/dbraw/zinc/14/18/66/639141866.db2.gz HVFJLROSKDSXEW-KGLIPLIRSA-N 1 1 282.391 3.435 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000859446215 639143120 /nfs/dbraw/zinc/14/31/20/639143120.db2.gz XDRLPARGUDWROO-LLVKDONJSA-N 1 1 264.300 3.132 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)Cc2c[nH]nc21 ZINC000931456587 639151683 /nfs/dbraw/zinc/15/16/83/639151683.db2.gz ACDHHNXVSGBESK-CYBMUJFWSA-N 1 1 294.402 3.330 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000931613006 639179374 /nfs/dbraw/zinc/17/93/74/639179374.db2.gz SHHVPLPHUUQFFV-INIZCTEOSA-N 1 1 286.419 3.158 20 30 CGEDMO N#CCCCC[N@H+]1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC000931793345 639206597 /nfs/dbraw/zinc/20/65/97/639206597.db2.gz AGHYJUDCIVYLPM-QGZVFWFLSA-N 1 1 280.375 3.051 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000859891009 639250735 /nfs/dbraw/zinc/25/07/35/639250735.db2.gz VVOSIUYSTOAYHK-AWEZNQCLSA-N 1 1 263.385 3.290 20 30 CGEDMO N#C[C@H]1CC[C@H]([N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)C1 ZINC000859929364 639256872 /nfs/dbraw/zinc/25/68/72/639256872.db2.gz YMJIGYNPZCLGLW-PEJOBZMASA-N 1 1 266.388 3.414 20 30 CGEDMO N#CCSCCC[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859929331 639257092 /nfs/dbraw/zinc/25/70/92/639257092.db2.gz BVYPZSUXGNWVBC-YESZJQIVSA-N 1 1 286.444 3.369 20 30 CGEDMO CC(C)O[C@@H](C[N@@H+]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000932155142 639278039 /nfs/dbraw/zinc/27/80/39/639278039.db2.gz XDLFCYZHZAWMRA-WBVHZDCISA-N 1 1 272.392 3.388 20 30 CGEDMO CC(C)O[C@@H](C[N@H+]1CCC[C@H](C#N)C1)c1ccccc1 ZINC000932155142 639278045 /nfs/dbraw/zinc/27/80/45/639278045.db2.gz XDLFCYZHZAWMRA-WBVHZDCISA-N 1 1 272.392 3.388 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC000860103399 639282469 /nfs/dbraw/zinc/28/24/69/639282469.db2.gz NMYIXPGDYQSFAE-GFCCVEGCSA-N 1 1 269.747 3.376 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC000860103399 639282473 /nfs/dbraw/zinc/28/24/73/639282473.db2.gz NMYIXPGDYQSFAE-GFCCVEGCSA-N 1 1 269.747 3.376 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](Cc3nccs3)C2)c1 ZINC000932196853 639294504 /nfs/dbraw/zinc/29/45/04/639294504.db2.gz MLTGKHVNMJNZJG-INIZCTEOSA-N 1 1 297.427 3.469 20 30 CGEDMO Cn1nccc1[C@@H]1CCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000932260799 639302352 /nfs/dbraw/zinc/30/23/52/639302352.db2.gz GWMNYIGROPZXGP-KRWDZBQOSA-N 1 1 299.805 3.262 20 30 CGEDMO Cn1nccc1[C@@H]1CCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000932260799 639302363 /nfs/dbraw/zinc/30/23/63/639302363.db2.gz GWMNYIGROPZXGP-KRWDZBQOSA-N 1 1 299.805 3.262 20 30 CGEDMO C[C@@]1(Cc2cc(Cl)cs2)CCC[N@H+]1C[C@H](O)CC#N ZINC000932916042 639398544 /nfs/dbraw/zinc/39/85/44/639398544.db2.gz ITAHAGKUALQOLT-OCCSQVGLSA-N 1 1 298.839 3.073 20 30 CGEDMO C[C@@]1(Cc2ccc(Cl)s2)CCC[N@H+]1C[C@H](O)CC#N ZINC000932921849 639399413 /nfs/dbraw/zinc/39/94/13/639399413.db2.gz YPKWQQKEBJFBKN-RISCZKNCSA-N 1 1 298.839 3.073 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@@]1(C)Cc1cccs1 ZINC000932927386 639401005 /nfs/dbraw/zinc/40/10/05/639401005.db2.gz QKAHGTDQOCMONY-ZFWWWQNUSA-N 1 1 278.421 3.074 20 30 CGEDMO C#CCC1([NH2+]Cc2nc(-c3ccc(C)cc3)no2)CCC1 ZINC000933303516 639437284 /nfs/dbraw/zinc/43/72/84/639437284.db2.gz WJEJMFOQNNBJGS-UHFFFAOYSA-N 1 1 281.359 3.081 20 30 CGEDMO C[C@@]1([NH2+]Cc2cccc(C#N)c2F)CCOc2ccccc21 ZINC000933367851 639442258 /nfs/dbraw/zinc/44/22/58/639442258.db2.gz AGPMUUJOQNRVFD-GOSISDBHSA-N 1 1 296.345 3.485 20 30 CGEDMO C#CC[N@@H+](CCC1OCCCO1)[C@@H]1CCCc2ccccc21 ZINC000933419944 639448982 /nfs/dbraw/zinc/44/89/82/639448982.db2.gz DMCJWLNJVPIHHD-GOSISDBHSA-N 1 1 299.414 3.152 20 30 CGEDMO N#Cc1ccc([C@@H]2C[N@@H+](CCC3CCC3)CCO2)cc1 ZINC000933631939 639471538 /nfs/dbraw/zinc/47/15/38/639471538.db2.gz MNRDHDRTBWIPNT-KRWDZBQOSA-N 1 1 270.376 3.122 20 30 CGEDMO C#CCCCCC[N@@H+]1CCCSC[C@H]1c1cnn(C)c1 ZINC000933972706 639516458 /nfs/dbraw/zinc/51/64/58/639516458.db2.gz BZLILJUZGHSPPH-INIZCTEOSA-N 1 1 291.464 3.094 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1CC(=O)Nc1ccc(Cl)cc1C ZINC000934466951 639613528 /nfs/dbraw/zinc/61/35/28/639613528.db2.gz VPSFDERUOBKHFA-CYBMUJFWSA-N 1 1 278.783 3.237 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1C ZINC000934466951 639613530 /nfs/dbraw/zinc/61/35/30/639613530.db2.gz VPSFDERUOBKHFA-CYBMUJFWSA-N 1 1 278.783 3.237 20 30 CGEDMO C=CCCC[N@@H+](CC)Cc1nnc(C2CC2)s1 ZINC000934648369 639650466 /nfs/dbraw/zinc/65/04/66/639650466.db2.gz YSHLHAQQSNNDAF-UHFFFAOYSA-N 1 1 251.399 3.204 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1nnc(C2CC2)s1 ZINC000934648369 639650469 /nfs/dbraw/zinc/65/04/69/639650469.db2.gz YSHLHAQQSNNDAF-UHFFFAOYSA-N 1 1 251.399 3.204 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000934885557 639701558 /nfs/dbraw/zinc/70/15/58/639701558.db2.gz MXLBWICSYPGFQL-NVXWUHKLSA-N 1 1 299.418 3.278 20 30 CGEDMO C#Cc1ccc(NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000934936932 639718969 /nfs/dbraw/zinc/71/89/69/639718969.db2.gz UXHVXGQCMHDQOK-QGZVFWFLSA-N 1 1 299.418 3.006 20 30 CGEDMO C#CC[N@H+](C[C@@H](O)c1ccc(Cl)cc1)C1CCCC1 ZINC000155793173 639951038 /nfs/dbraw/zinc/95/10/38/639951038.db2.gz WPCFPAAEKNSIQY-MRXNPFEDSA-N 1 1 277.795 3.251 20 30 CGEDMO CC[C@H](CSC)[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC000157972157 639994819 /nfs/dbraw/zinc/99/48/19/639994819.db2.gz WJZQDDSRMXQAKC-OAHLLOKOSA-N 1 1 292.448 3.401 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)CC1CCC2(CC1)OCCO2 ZINC000190243862 640234864 /nfs/dbraw/zinc/23/48/64/640234864.db2.gz AUGJWTRNXWSRAR-UHFFFAOYSA-N 1 1 294.439 3.181 20 30 CGEDMO C=CCc1cc(C[N@H+]2CC[C@H](C)[C@@H]2C)c(O)c(OC)c1 ZINC000246398399 640673467 /nfs/dbraw/zinc/67/34/67/640673467.db2.gz HTGQLCYPPJNZLD-STQMWFEESA-N 1 1 275.392 3.360 20 30 CGEDMO C#CCCOc1ccc(C[N@H+](C)Cc2c(C)noc2C)cc1 ZINC000091812719 640723443 /nfs/dbraw/zinc/72/34/43/640723443.db2.gz AKZOTQNAKUVYKA-UHFFFAOYSA-N 1 1 298.386 3.326 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+](C)Cc2c(C)noc2C)cc1 ZINC000091812719 640723446 /nfs/dbraw/zinc/72/34/46/640723446.db2.gz AKZOTQNAKUVYKA-UHFFFAOYSA-N 1 1 298.386 3.326 20 30 CGEDMO C#CCCOc1ccc(C[N@H+](CC)C[C@@H](C)C#N)cc1 ZINC000091983505 640727405 /nfs/dbraw/zinc/72/74/05/640727405.db2.gz KRMVPVXADOGXKA-HNNXBMFYSA-N 1 1 270.376 3.070 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+](CC)C[C@@H](C)C#N)cc1 ZINC000091983505 640727409 /nfs/dbraw/zinc/72/74/09/640727409.db2.gz KRMVPVXADOGXKA-HNNXBMFYSA-N 1 1 270.376 3.070 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+](C)CCC2CC2)cc1 ZINC000092067164 640730939 /nfs/dbraw/zinc/73/09/39/640730939.db2.gz UWBHEHWCSOHZKK-UHFFFAOYSA-N 1 1 257.377 3.321 20 30 CGEDMO C#CC[N@H+](Cc1cccc(OCCOC)c1)C1CCCC1 ZINC000093819728 640782481 /nfs/dbraw/zinc/78/24/81/640782481.db2.gz BILLGPDMEUXONN-UHFFFAOYSA-N 1 1 287.403 3.090 20 30 CGEDMO C#CC[N@H+](Cc1cnc2c(C)cccn12)C1CCCC1 ZINC000093819787 640782740 /nfs/dbraw/zinc/78/27/40/640782740.db2.gz HGLQWKNAYMRDFI-UHFFFAOYSA-N 1 1 267.376 3.021 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001007095036 640939690 /nfs/dbraw/zinc/93/96/90/640939690.db2.gz YRPWXNUBHMSJHB-OAHLLOKOSA-N 1 1 294.414 3.331 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2csc(C)c2C)C1 ZINC001007416070 640942306 /nfs/dbraw/zinc/94/23/06/640942306.db2.gz WGYBMJRJOCVUSV-AWEZNQCLSA-N 1 1 292.448 3.135 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001007608960 640943321 /nfs/dbraw/zinc/94/33/21/640943321.db2.gz NGEPHUPCNXSSII-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C(C)C)c2)C1 ZINC001009088114 640954827 /nfs/dbraw/zinc/95/48/27/640954827.db2.gz PIRDLTFPNOLNMZ-SFHVURJKSA-N 1 1 298.430 3.028 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)CCC=C3)C1 ZINC001009248128 640957546 /nfs/dbraw/zinc/95/75/46/640957546.db2.gz SCTFXOHTLUYJFE-GOSISDBHSA-N 1 1 296.414 3.026 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)s2)C1 ZINC001009413522 640958931 /nfs/dbraw/zinc/95/89/31/640958931.db2.gz CCIIXZFCMSXXHC-LLVKDONJSA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)s2)C1 ZINC001009413522 640958934 /nfs/dbraw/zinc/95/89/34/640958934.db2.gz CCIIXZFCMSXXHC-LLVKDONJSA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc(Cl)c(C)c2)C1 ZINC001015652306 640984579 /nfs/dbraw/zinc/98/45/79/640984579.db2.gz ZXUCATWLPQGKRZ-AWEZNQCLSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CCCC(C)(C)C2)C1 ZINC001015991768 640989521 /nfs/dbraw/zinc/98/95/21/640989521.db2.gz HADWBOMXVYWQCQ-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001016039101 640989994 /nfs/dbraw/zinc/98/99/94/640989994.db2.gz CZJJHGJXTYAOLK-ULQDDVLXSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)c2oc3c(cccc3C)c2C)C1 ZINC001016341590 640995874 /nfs/dbraw/zinc/99/58/74/640995874.db2.gz QTKZQPQSPUOJED-CQSZACIVSA-N 1 1 298.386 3.040 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2oc3c(cccc3C)c2C)C1 ZINC001016341590 640995879 /nfs/dbraw/zinc/99/58/79/640995879.db2.gz QTKZQPQSPUOJED-CQSZACIVSA-N 1 1 298.386 3.040 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]1CC ZINC001017903239 641018391 /nfs/dbraw/zinc/01/83/91/641018391.db2.gz STGVGXOEEHTAIQ-NXOAAHMSSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]1CC ZINC001017903239 641018393 /nfs/dbraw/zinc/01/83/93/641018393.db2.gz STGVGXOEEHTAIQ-NXOAAHMSSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)cc(C)c1 ZINC001018212366 641020429 /nfs/dbraw/zinc/02/04/29/641020429.db2.gz YNBATNNDYOMOKV-HDICACEKSA-N 1 1 298.430 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)cc(C)c1 ZINC001018212366 641020432 /nfs/dbraw/zinc/02/04/32/641020432.db2.gz YNBATNNDYOMOKV-HDICACEKSA-N 1 1 298.430 3.168 20 30 CGEDMO C=CC[NH+]1CCN(c2nc3c(C)ccc(F)c3cc2C)CC1 ZINC001165032495 721868692 /nfs/dbraw/zinc/86/86/92/721868692.db2.gz VPROMGMIGBLTMO-UHFFFAOYSA-N 1 1 299.393 3.299 20 30 CGEDMO C=CC[NH+]1CCN(c2ncnc3ccc(C(C)C)cc32)CC1 ZINC001165032236 721870984 /nfs/dbraw/zinc/87/09/84/721870984.db2.gz MRFZFLXEDODHBQ-UHFFFAOYSA-N 1 1 296.418 3.061 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)CC[C@H](C)CC ZINC001155958251 805629975 /nfs/dbraw/zinc/62/99/75/805629975.db2.gz QYIMZDRIDJZSCC-HUUCEWRRSA-N 1 1 268.445 3.215 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@](C)(CC)CCC ZINC001156036401 805644434 /nfs/dbraw/zinc/64/44/34/805644434.db2.gz ULAXHJGSBGUVAW-NVXWUHKLSA-N 1 1 280.456 3.053 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)CC(C)C ZINC001156277717 805670065 /nfs/dbraw/zinc/67/00/65/805670065.db2.gz XFKKSRDOLOUQMU-CVEARBPZSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CCCc1[nH]c2cc(OCC)c(OCC)cc2[nH+]1 ZINC001250599234 805716864 /nfs/dbraw/zinc/71/68/64/805716864.db2.gz VOZSJZONULKNPR-UHFFFAOYSA-N 1 1 260.337 3.479 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(C)cc1 ZINC001156595303 805718708 /nfs/dbraw/zinc/71/87/08/805718708.db2.gz XHMZTEQFCGBFAT-MRXNPFEDSA-N 1 1 288.435 3.401 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCC(C)C ZINC001157522800 805827010 /nfs/dbraw/zinc/82/70/10/805827010.db2.gz RLPCCSJXOTVOHT-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CC(C)(C)C ZINC001157540942 805828965 /nfs/dbraw/zinc/82/89/65/805828965.db2.gz XINOQRVPBDLFEW-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)/C=C\C1CC1 ZINC001157755932 805862716 /nfs/dbraw/zinc/86/27/16/805862716.db2.gz WIDHAXSTVZJIKX-WHLNPGIBSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)/C=C\C1CC1 ZINC001157755932 805862724 /nfs/dbraw/zinc/86/27/24/805862724.db2.gz WIDHAXSTVZJIKX-WHLNPGIBSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)C1C(C)(C)C1(C)C ZINC001157775167 805868828 /nfs/dbraw/zinc/86/88/28/805868828.db2.gz NCVOKOFSBNMYLL-CQSZACIVSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)C(C)C ZINC001158005456 805913649 /nfs/dbraw/zinc/91/36/49/805913649.db2.gz WIDBLRPRXJODBK-OAHLLOKOSA-N 1 1 280.456 3.310 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)C1CCC1 ZINC001158117751 805923167 /nfs/dbraw/zinc/92/31/67/805923167.db2.gz FHJAXLPXYARDBK-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[C@H](C)CC ZINC001158639236 805979805 /nfs/dbraw/zinc/97/98/05/805979805.db2.gz HBGPOELAIXEGCV-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@H](C)[C@H]1CO ZINC001252123329 806011460 /nfs/dbraw/zinc/01/14/60/806011460.db2.gz GCBVJKSTEJCZOD-YESZJQIVSA-N 1 1 285.472 3.191 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCOCC1(C)C ZINC001252130046 806015758 /nfs/dbraw/zinc/01/57/58/806015758.db2.gz JNLJHLBASDHNQX-HNNXBMFYSA-N 1 1 271.445 3.209 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+](C)Cc1cnccn1 ZINC001252129855 806016216 /nfs/dbraw/zinc/01/62/16/806016216.db2.gz FZKVBBVIWZXPIJ-INIZCTEOSA-N 1 1 279.428 3.020 20 30 CGEDMO COc1ccc(C)[nH+]c1NCc1ccc(C#N)c(F)c1 ZINC001159084932 806040925 /nfs/dbraw/zinc/04/09/25/806040925.db2.gz VVEQRHRBLNLYTD-UHFFFAOYSA-N 1 1 271.295 3.022 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC=CCC2)CC1 ZINC001159237824 806063873 /nfs/dbraw/zinc/06/38/73/806063873.db2.gz ZSEKXDBGCBXAHG-QGZVFWFLSA-N 1 1 288.435 3.057 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)C12CC3CC(CC(C3)C1)C2 ZINC001252600172 806080994 /nfs/dbraw/zinc/08/09/94/806080994.db2.gz YRHYOJRQQPVFIJ-YYUOFMGYSA-N 1 1 263.425 3.214 20 30 CGEDMO C=CCC[C@H](O)CNc1ccc([NH+]2CCCCC2)cc1 ZINC001252608015 806085916 /nfs/dbraw/zinc/08/59/16/806085916.db2.gz VWKBNSXQEYWMHM-KRWDZBQOSA-N 1 1 274.408 3.416 20 30 CGEDMO CCCCCCC[N@@H+](CC)C[C@@H](O)COCc1ccco1 ZINC001252637369 806096824 /nfs/dbraw/zinc/09/68/24/806096824.db2.gz FWQVSGHCXQGOIS-MRXNPFEDSA-N 1 1 297.439 3.449 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)/C(C)=C\CC)CC1 ZINC001159488164 806113155 /nfs/dbraw/zinc/11/31/55/806113155.db2.gz LBHSKQYDUQIGEI-SOFYXZRVSA-N 1 1 290.451 3.447 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C ZINC001252982953 806147204 /nfs/dbraw/zinc/14/72/04/806147204.db2.gz OGMAANGPFRPVJV-BZSNNMDCSA-N 1 1 296.499 3.266 20 30 CGEDMO CCCCCCCCCC[C@H](O)CN1C[C@@H]2C[C@H]1C[N@@H+]2C ZINC001252982953 806147207 /nfs/dbraw/zinc/14/72/07/806147207.db2.gz OGMAANGPFRPVJV-BZSNNMDCSA-N 1 1 296.499 3.266 20 30 CGEDMO CCCCCCCCCC[C@H](O)CN1C[C@@H]2C[C@H]1C[N@H+]2C ZINC001252982953 806147210 /nfs/dbraw/zinc/14/72/10/806147210.db2.gz OGMAANGPFRPVJV-BZSNNMDCSA-N 1 1 296.499 3.266 20 30 CGEDMO N#Cc1cc(F)c(N=C2CCC[NH2+]CC2)c(Cl)c1 ZINC001159774925 806169240 /nfs/dbraw/zinc/16/92/40/806169240.db2.gz AJSCKPJIFPSDAE-UHFFFAOYSA-N 1 1 265.719 3.030 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)C2CC(C)C2)CC1 ZINC001159812194 806177348 /nfs/dbraw/zinc/17/73/48/806177348.db2.gz YBZMQCAFTBGODW-UHFFFAOYSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+](C)CCc1ccccn1 ZINC001253227542 806184563 /nfs/dbraw/zinc/18/45/63/806184563.db2.gz KITAXHAPJFIAIY-GOSISDBHSA-N 1 1 290.451 3.443 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001253237367 806188772 /nfs/dbraw/zinc/18/87/72/806188772.db2.gz XZXCPGOMXPFKBL-FGTMMUONSA-N 1 1 295.467 3.375 20 30 CGEDMO C=CCCCCCC[C@H](O)CN(C)CCC[NH+]1CCCC1 ZINC001253239192 806190307 /nfs/dbraw/zinc/19/03/07/806190307.db2.gz KUUOEBVJCXQCTQ-SFHVURJKSA-N 1 1 296.499 3.292 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1CCOC[C@@H]1C(C)C ZINC001253240403 806190570 /nfs/dbraw/zinc/19/05/70/806190570.db2.gz KPOVCBUNUZIVPW-IAGOWNOFSA-N 1 1 283.456 3.231 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001253240283 806190937 /nfs/dbraw/zinc/19/09/37/806190937.db2.gz IPYRATBBMDZYRW-JONQDZQNSA-N 1 1 269.404 3.306 20 30 CGEDMO Cc1c[nH]c2nc[nH+]c(N[C@@H]3CCc4c3cccc4C#N)c12 ZINC001159911588 806197092 /nfs/dbraw/zinc/19/70/92/806197092.db2.gz FUMOAIURSVSGRV-CQSZACIVSA-N 1 1 289.342 3.237 20 30 CGEDMO CCCCCCCNC(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC001253388446 806214351 /nfs/dbraw/zinc/21/43/51/806214351.db2.gz JECTWCTWPDVDPS-MRXNPFEDSA-N 1 1 295.471 3.273 20 30 CGEDMO Cc1ccc(CC#N)c(NCc2cccc3ncoc32)[nH+]1 ZINC001160255346 806241928 /nfs/dbraw/zinc/24/19/28/806241928.db2.gz GWXXBFFAAOGWRX-UHFFFAOYSA-N 1 1 278.315 3.209 20 30 CGEDMO C=C(C)CCC(=O)NCCC1=CC[N@@H+](CC(C)C)CC1 ZINC001160264132 806245328 /nfs/dbraw/zinc/24/53/28/806245328.db2.gz FORSNRRFPQKAOI-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C[C@@H](O)C[N@H+]1CCC[C@H]1c1ccccc1Br ZINC001253567353 806260921 /nfs/dbraw/zinc/26/09/21/806260921.db2.gz NBPJEEVSJMZDSW-RISCZKNCSA-N 1 1 296.208 3.133 20 30 CGEDMO C=CC(C)(C)C(=O)NCCC1=CC[N@@H+](C[C@H](C)CC)CC1 ZINC001160888260 806316416 /nfs/dbraw/zinc/31/64/16/806316416.db2.gz FAPMTTHVRSRNKT-OAHLLOKOSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[C@H](C)C2)CC1 ZINC001161398000 806374487 /nfs/dbraw/zinc/37/44/87/806374487.db2.gz MBGZYXITFZAKPS-DOTOQJQBSA-N 1 1 290.451 3.137 20 30 CGEDMO N#C[C@H]1CC[N@H+](C2CCC(C#N)(c3ccc(F)cc3)CC2)C1 ZINC001254356300 806382621 /nfs/dbraw/zinc/38/26/21/806382621.db2.gz OANFEWUIBIDLTJ-RWBZWWBESA-N 1 1 297.377 3.375 20 30 CGEDMO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1N(C)C)c1ccc(C#N)cc1F ZINC001254410538 806393848 /nfs/dbraw/zinc/39/38/48/806393848.db2.gz YMMXGFVJEPGMDM-VUCTXSBTSA-N 1 1 289.398 3.221 20 30 CGEDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CC#N)C1 ZINC001254558492 806449203 /nfs/dbraw/zinc/44/92/03/806449203.db2.gz BTBDNCNRPNQPBM-ZIAGYGMSSA-N 1 1 287.363 3.151 20 30 CGEDMO C[N@@H+](CCc1cccc(C(F)(F)F)n1)[C@@H]1CC[C@@H](C#N)C1 ZINC001254660290 806478380 /nfs/dbraw/zinc/47/83/80/806478380.db2.gz HEZBTXQXYCYDGB-DGCLKSJQSA-N 1 1 297.324 3.267 20 30 CGEDMO COc1cccc([C@@H]2CC[N@H+]([C@@H]3CC[C@H](C#N)C3)C2)c1 ZINC001254675967 806483067 /nfs/dbraw/zinc/48/30/67/806483067.db2.gz HDNAKYWSPADOAJ-NUEKZKHPSA-N 1 1 270.376 3.177 20 30 CGEDMO Cc1nc(NC2C[NH+](C(C)(C)C)C2)c(C#N)c(C)c1Cl ZINC001162219853 806530425 /nfs/dbraw/zinc/53/04/25/806530425.db2.gz FIJJCSLNWHKMGX-UHFFFAOYSA-N 1 1 292.814 3.118 20 30 CGEDMO N#CCC[N@@H+](Cc1ccccc1)C1CCSCC1 ZINC001255088439 806539719 /nfs/dbraw/zinc/53/97/19/806539719.db2.gz SWKWZQILOMTWAA-UHFFFAOYSA-N 1 1 260.406 3.298 20 30 CGEDMO N#CC1(N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC001255122658 806549364 /nfs/dbraw/zinc/54/93/64/806549364.db2.gz UFISFNSLOKFXNV-BCDXTJNWSA-N 1 1 295.430 3.218 20 30 CGEDMO CC[C@@H](CC#N)[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC001255172509 806564336 /nfs/dbraw/zinc/56/43/36/806564336.db2.gz PGIIUZRRMOVHMY-GOEBONIOSA-N 1 1 258.365 3.222 20 30 CGEDMO CC[C@@H](CC#N)[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC001255172509 806564341 /nfs/dbraw/zinc/56/43/41/806564341.db2.gz PGIIUZRRMOVHMY-GOEBONIOSA-N 1 1 258.365 3.222 20 30 CGEDMO CC[C@@H](CC#N)N1C[C@@H]2C[N@H+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001255167624 806565553 /nfs/dbraw/zinc/56/55/53/806565553.db2.gz DMHXDUXHWNDOEX-OTWHNJEPSA-N 1 1 297.446 3.051 20 30 CGEDMO CC[C@H](CC#N)[N@@H+]1CCC[C@H]1c1cccc(C(=O)OC)c1 ZINC001255177806 806570817 /nfs/dbraw/zinc/57/08/17/806570817.db2.gz WZTCSEMBCJQHKU-CVEARBPZSA-N 1 1 286.375 3.302 20 30 CGEDMO CC[C@H](CC#N)[N@H+]1CCC[C@H]1c1cccc(C(=O)OC)c1 ZINC001255177806 806570822 /nfs/dbraw/zinc/57/08/22/806570822.db2.gz WZTCSEMBCJQHKU-CVEARBPZSA-N 1 1 286.375 3.302 20 30 CGEDMO CC[C@H](CC#N)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001255177285 806570895 /nfs/dbraw/zinc/57/08/95/806570895.db2.gz PNAHWMQRKRGCHE-JFIYKMOQSA-N 1 1 285.435 3.273 20 30 CGEDMO CC[C@@H](CC#N)[N@@H+]1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC001255180255 806572145 /nfs/dbraw/zinc/57/21/45/806572145.db2.gz ZGJZSRIULKINKT-UONOGXRCSA-N 1 1 295.427 3.010 20 30 CGEDMO CC[C@@H](CC#N)[N@H+]1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC001255180255 806572150 /nfs/dbraw/zinc/57/21/50/806572150.db2.gz ZGJZSRIULKINKT-UONOGXRCSA-N 1 1 295.427 3.010 20 30 CGEDMO C=CCOC(=O)[C@@H]([NH2+][C@@H](C)CCCC)[C@@H](C)CC ZINC001255314255 806606204 /nfs/dbraw/zinc/60/62/04/806606204.db2.gz ZMNDXAJJQCXAPG-IHRRRGAJSA-N 1 1 255.402 3.299 20 30 CGEDMO N#CC1(CN[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCC1 ZINC001255382588 806630101 /nfs/dbraw/zinc/63/01/01/806630101.db2.gz WFHCAFONRIHSFF-SFHVURJKSA-N 1 1 297.446 3.325 20 30 CGEDMO C[C@H](CC(F)(F)F)[NH+]1CCN(c2cccc(C#N)c2)CC1 ZINC001255660147 806697102 /nfs/dbraw/zinc/69/71/02/806697102.db2.gz GFWLGFFFDPWKDX-GFCCVEGCSA-N 1 1 297.324 3.021 20 30 CGEDMO CS[C@H]1CC[C@H]([N@@H+](C)CCOc2ccc(C#N)cc2)C1 ZINC000075920388 798924831 /nfs/dbraw/zinc/92/48/31/798924831.db2.gz CCNIVDMQOHYRTD-HOCLYGCPSA-N 1 1 290.432 3.153 20 30 CGEDMO C=CC[N@H+](C1C[C@H]2CCC[C@@H](C1)N2C)C(C)(C)C ZINC001255684253 806705300 /nfs/dbraw/zinc/70/53/00/806705300.db2.gz VTOLQEBZUUPTNE-YIONKMFJSA-N 1 1 250.430 3.288 20 30 CGEDMO C#CC[N@H+](Cc1nc2ccccc2nc1C)C1CCCC1 ZINC000176386577 799095207 /nfs/dbraw/zinc/09/52/07/799095207.db2.gz UQZDLJXQWDPBCO-UHFFFAOYSA-N 1 1 279.387 3.316 20 30 CGEDMO C[C@]1(C#N)CC[N@H+]([C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC001255723539 806720626 /nfs/dbraw/zinc/72/06/26/806720626.db2.gz NLUYNUCIHNBJEW-SDDRHHMPSA-N 1 1 260.303 3.343 20 30 CGEDMO Cc1cc(Br)cc(C[NH2+]CC2(C#N)CC2)c1 ZINC000381556540 799381399 /nfs/dbraw/zinc/38/13/99/799381399.db2.gz PFAKZQDXJHDVSX-UHFFFAOYSA-N 1 1 279.181 3.151 20 30 CGEDMO CC[C@H](CC#N)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383074536 799399145 /nfs/dbraw/zinc/39/91/45/799399145.db2.gz SMONXKWIJZRMRZ-ZWKOTPCHSA-N 1 1 285.435 3.133 20 30 CGEDMO C[C@H](C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1)C(C)(C)C ZINC000402229182 799561420 /nfs/dbraw/zinc/56/14/20/799561420.db2.gz XZHQTZJSTYODNK-CJNGLKHVSA-N 1 1 274.408 3.206 20 30 CGEDMO C=CC[N@@H+]([C@H](C)CS(=O)(=O)c1ccccc1)C(C)(C)C ZINC001255828667 806759429 /nfs/dbraw/zinc/75/94/29/806759429.db2.gz XEPORORPWCENLH-CQSZACIVSA-N 1 1 295.448 3.135 20 30 CGEDMO C=CC[N@H+]([C@H](C)CS(=O)(=O)c1ccccc1)C(C)(C)C ZINC001255828667 806759434 /nfs/dbraw/zinc/75/94/34/806759434.db2.gz XEPORORPWCENLH-CQSZACIVSA-N 1 1 295.448 3.135 20 30 CGEDMO C[C@H](Cc1ccccc1F)[N@H+]1CCC[C@H](CC#N)C1 ZINC001255851837 806768573 /nfs/dbraw/zinc/76/85/73/806768573.db2.gz XNNLIKLKLMCTIG-ZIAGYGMSSA-N 1 1 260.356 3.382 20 30 CGEDMO C#CC[C@@H](CO)[NH2+]Cc1c(Cl)ccc(Cl)c1Cl ZINC000717775344 800206256 /nfs/dbraw/zinc/20/62/56/800206256.db2.gz HAIBZSPACPDKCB-QMMMGPOBSA-N 1 1 292.593 3.121 20 30 CGEDMO C[C@H]1[C@H](Nc2ccc(C(F)(F)F)cc2C#N)CC[N@H+]1C ZINC000719605543 800245599 /nfs/dbraw/zinc/24/55/99/800245599.db2.gz ZAPQHANMGCCZNK-JOYOIKCWSA-N 1 1 283.297 3.082 20 30 CGEDMO C[C@@H](CCC#N)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000720810440 800266759 /nfs/dbraw/zinc/26/67/59/800266759.db2.gz YNBGJONUWGEXOL-YTQUADARSA-N 1 1 297.446 3.133 20 30 CGEDMO C[C@@H](CCC#N)[N@@H+]1C[C@@H]2CN(Cc3ccccc3)C[C@]2(C)C1 ZINC000720810440 800266765 /nfs/dbraw/zinc/26/67/65/800266765.db2.gz YNBGJONUWGEXOL-YTQUADARSA-N 1 1 297.446 3.133 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1C[C@@H]2CN(Cc3ccccc3)C[C@]2(C)C1 ZINC000720810440 800266771 /nfs/dbraw/zinc/26/67/71/800266771.db2.gz YNBGJONUWGEXOL-YTQUADARSA-N 1 1 297.446 3.133 20 30 CGEDMO C[C@@H]1CC(C[N@@H+](C)Cc2cccc(C#N)c2)C[C@@H](C)O1 ZINC000724868850 800368741 /nfs/dbraw/zinc/36/87/41/800368741.db2.gz UNHQJWJTICCLQR-ZIAGYGMSSA-N 1 1 272.392 3.194 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)C[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724866277 800368962 /nfs/dbraw/zinc/36/89/62/800368962.db2.gz ZDSGSXLDUSFQJG-FICVDOATSA-N 1 1 252.402 3.062 20 30 CGEDMO C#Cc1ccc(C[N@@H+](CC)CCc2ccccn2)cc1 ZINC000809551666 800444393 /nfs/dbraw/zinc/44/43/93/800444393.db2.gz DDPBFVLOLPCQDH-UHFFFAOYSA-N 1 1 264.372 3.128 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCOc3ccccc3C2)cc1 ZINC000809551167 800445105 /nfs/dbraw/zinc/44/51/05/800445105.db2.gz SAVUSHCVOUITBF-UHFFFAOYSA-N 1 1 263.340 3.063 20 30 CGEDMO C#Cc1ccc(C[N@@H+](CC)CCC(F)(F)F)cc1 ZINC000809559457 800446576 /nfs/dbraw/zinc/44/65/76/800446576.db2.gz QRCGJNQBVUGEGW-UHFFFAOYSA-N 1 1 255.283 3.442 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001023580509 800713098 /nfs/dbraw/zinc/71/30/98/800713098.db2.gz OBGBPFAVNHWCEV-RRFJBIMHSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001023580509 800713100 /nfs/dbraw/zinc/71/31/00/800713100.db2.gz OBGBPFAVNHWCEV-RRFJBIMHSA-N 1 1 298.858 3.003 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)C1CCCCC1 ZINC001024308358 800723403 /nfs/dbraw/zinc/72/34/03/800723403.db2.gz FQZRDFKTBBNDRP-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C)c(C)s1 ZINC001024792821 800736816 /nfs/dbraw/zinc/73/68/16/800736816.db2.gz MPXAHIUYMAAVBL-AWEZNQCLSA-N 1 1 292.448 3.135 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)C ZINC001025203931 800748255 /nfs/dbraw/zinc/74/82/55/800748255.db2.gz KRVZKZAIISCRSK-IRXDYDNUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCCC[C@@H]1[C@H]1CCC[N@@H+]1CC ZINC001025259775 800751760 /nfs/dbraw/zinc/75/17/60/800751760.db2.gz SSSUAPXMJRUWRN-HZPDHXFCSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2)C1 ZINC001025315144 800755113 /nfs/dbraw/zinc/75/51/13/800755113.db2.gz ZEIIALDGOCCGAP-DOTOQJQBSA-N 1 1 286.419 3.093 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccccc2C)C1 ZINC001025326009 800757040 /nfs/dbraw/zinc/75/70/40/800757040.db2.gz KLLDAXBMZLBCAV-JKSUJKDBSA-N 1 1 286.419 3.011 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccs2)C1 ZINC001025327545 800757201 /nfs/dbraw/zinc/75/72/01/800757201.db2.gz AGSWVPYITUGFTR-KGLIPLIRSA-N 1 1 292.448 3.155 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001025379774 800759155 /nfs/dbraw/zinc/75/91/55/800759155.db2.gz UYXXPOHRCNXADB-KGLIPLIRSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CC=CC2)C1 ZINC001025371645 800759251 /nfs/dbraw/zinc/75/92/51/800759251.db2.gz GTNRUAOUCKHNBD-NVXWUHKLSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)CC2CCCC2)C1 ZINC001027279093 800788847 /nfs/dbraw/zinc/78/88/47/800788847.db2.gz PCFBZDHFSBFDFZ-HNNXBMFYSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)CC2CCCC2)C1 ZINC001027279093 800788851 /nfs/dbraw/zinc/78/88/51/800788851.db2.gz PCFBZDHFSBFDFZ-HNNXBMFYSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)C[C@H]2C=CCC2)C1 ZINC001027289970 800790058 /nfs/dbraw/zinc/79/00/58/800790058.db2.gz MMMRLRDSWSWEIA-GJZGRUSLSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)C[C@H]2C=CCC2)C1 ZINC001027289970 800790060 /nfs/dbraw/zinc/79/00/60/800790060.db2.gz MMMRLRDSWSWEIA-GJZGRUSLSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2c(C)coc2C)C1 ZINC001027394677 800793095 /nfs/dbraw/zinc/79/30/95/800793095.db2.gz NEYWKVQRBTZNLL-OAHLLOKOSA-N 1 1 290.407 3.009 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC23CC3)C1 ZINC001027460683 800797186 /nfs/dbraw/zinc/79/71/86/800797186.db2.gz MVGVQXZQHKQHCX-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)C2CCC2)C1 ZINC001027507034 800798673 /nfs/dbraw/zinc/79/86/73/800798673.db2.gz GYWNFKVITBFTIZ-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]([N@@H+](C)CC(C)C)C1 ZINC001027560129 800803776 /nfs/dbraw/zinc/80/37/76/800803776.db2.gz QPOUXSBTOLRVGH-WBVHZDCISA-N 1 1 280.456 3.168 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]([N@@H+](C)CC(C)C)C1 ZINC001027560128 800803911 /nfs/dbraw/zinc/80/39/11/800803911.db2.gz QPOUXSBTOLRVGH-RDJZCZTQSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C)C2CCCC2)C1 ZINC001027647012 800806664 /nfs/dbraw/zinc/80/66/64/800806664.db2.gz KNUBDQZWLHAZPA-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C2(F)CCCCC2)C1 ZINC001027639139 800807738 /nfs/dbraw/zinc/80/77/38/800807738.db2.gz PFXHIZOKWIQETH-HNNXBMFYSA-N 1 1 296.430 3.158 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(CC)s1 ZINC001028009600 800827314 /nfs/dbraw/zinc/82/73/14/800827314.db2.gz NEIRNIHYWNTEPR-ZDUSSCGKSA-N 1 1 292.448 3.081 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cl)cc1C ZINC001028115125 800831542 /nfs/dbraw/zinc/83/15/42/800831542.db2.gz XMRBMTJYBSSVSU-CQSZACIVSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccsc1Cl ZINC001028184956 800835279 /nfs/dbraw/zinc/83/52/79/800835279.db2.gz QOSIGDSKDVISCI-LLVKDONJSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2cc(C)ccc2o1 ZINC001028334734 800842927 /nfs/dbraw/zinc/84/29/27/800842927.db2.gz HHACVPKZFDGBGJ-HNNXBMFYSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001028683908 800850721 /nfs/dbraw/zinc/85/07/21/800850721.db2.gz IJCLLNBZQBTHML-ARFHVFGLSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001028941961 800856681 /nfs/dbraw/zinc/85/66/81/800856681.db2.gz RQJLIPCJAPXPQQ-BRWVUGGUSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@H+]1CC[C@H](CNC(=O)c2cccc(C3CCC3)c2)C1 ZINC001028927228 800856830 /nfs/dbraw/zinc/85/68/30/800856830.db2.gz XBDSHBWEAYWAAD-OAHLLOKOSA-N 1 1 298.430 3.192 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)CC ZINC001029419478 800868262 /nfs/dbraw/zinc/86/82/62/800868262.db2.gz CJDSPLFTVBILBK-HRCADAONSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C1CC(C)(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC(C)C)C1 ZINC001029466205 800869983 /nfs/dbraw/zinc/86/99/83/800869983.db2.gz FZBDJPNABVMDOG-IYBDPMFKSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)c2cccc(C(F)F)c2)C1 ZINC001031287652 800907023 /nfs/dbraw/zinc/90/70/23/800907023.db2.gz HABJMTGELUBPBM-UHFFFAOYSA-N 1 1 294.345 3.004 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CCCCC1 ZINC001032265545 800925040 /nfs/dbraw/zinc/92/50/40/800925040.db2.gz DUELXQZEACGLAA-IRXDYDNUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC(CC)CC ZINC001032606688 800931960 /nfs/dbraw/zinc/93/19/60/800931960.db2.gz YVMRTQKWCIBXTA-XYJFISCASA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)c1ccccc1 ZINC001032736560 800935214 /nfs/dbraw/zinc/93/52/14/800935214.db2.gz STNKLRHWWIZHBE-SZMVWBNQSA-N 1 1 298.430 3.041 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C2CCCCCC2)C1 ZINC001032945830 800946364 /nfs/dbraw/zinc/94/63/64/800946364.db2.gz IWDYQXFGQFCNDY-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC2(C)C)C1 ZINC001033338714 800958672 /nfs/dbraw/zinc/95/86/72/800958672.db2.gz IMIGAHZYNSQMDC-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)C2CCCC2)C1 ZINC001033573838 800968398 /nfs/dbraw/zinc/96/83/98/800968398.db2.gz KEHNZQBNGOZSJJ-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001033679010 800972872 /nfs/dbraw/zinc/97/28/72/800972872.db2.gz RNQQQOOQVZWCNS-WMZOPIPTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccsc2C)C1 ZINC001033822588 800985869 /nfs/dbraw/zinc/98/58/69/800985869.db2.gz YVBVFASGTSOAIU-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CC[N@H+]1CCCC[C@H](NC(=O)C2CCCCCC2)C1 ZINC001034141877 801008113 /nfs/dbraw/zinc/00/81/13/801008113.db2.gz LOYJPRIKIUBVJF-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCOC(=O)N[C@H]1CCC[N@H+]([C@@H](C)CCC(C)C)C1 ZINC001256374575 806877786 /nfs/dbraw/zinc/87/77/86/806877786.db2.gz MDDYNOWTEYWAGX-GJZGRUSLSA-N 1 1 282.428 3.188 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2cc(C)cs2)C1 ZINC001034199075 801011796 /nfs/dbraw/zinc/01/17/96/801011796.db2.gz OUHUDWSHQABNAB-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001034319559 801016896 /nfs/dbraw/zinc/01/68/96/801016896.db2.gz HFPCPAMAOPQFPN-JFIYKMOQSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@@]2(C)C=CCC2)C1 ZINC001034349064 801018169 /nfs/dbraw/zinc/01/81/69/801018169.db2.gz ICSQLXAWSAIZLY-WMZOPIPTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)C2CCC(=C)CC2)C1 ZINC001034376838 801020929 /nfs/dbraw/zinc/02/09/29/801020929.db2.gz HHUBKAIMTRIBMF-KRWDZBQOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001034384804 801023553 /nfs/dbraw/zinc/02/35/53/801023553.db2.gz IJYJBKYZSHIHDW-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H](C)c2cccs2)C1 ZINC001034389934 801025123 /nfs/dbraw/zinc/02/51/23/801025123.db2.gz AHJRLCSUMNBDSK-UONOGXRCSA-N 1 1 292.448 3.008 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)C2(F)CCCCC2)C1 ZINC001034471343 801028914 /nfs/dbraw/zinc/02/89/14/801028914.db2.gz HKJFOQBIBAQLNS-HNNXBMFYSA-N 1 1 296.430 3.206 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@@H](NC(=O)C2CCC=CCC2)C1 ZINC001034531954 801031315 /nfs/dbraw/zinc/03/13/15/801031315.db2.gz ODVKMDGEJRUPAP-QGZVFWFLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CC3(C)CCCC3)CC[C@H]21 ZINC001036706821 801088335 /nfs/dbraw/zinc/08/83/35/801088335.db2.gz DZLHYMNPTBJJKN-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1ccc(C2CCC2)cc1 ZINC001038316332 801123756 /nfs/dbraw/zinc/12/37/56/801123756.db2.gz RSECYSYFIVJHFT-SFHVURJKSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1cc(C)ccc1C1CC1 ZINC001038548676 801129132 /nfs/dbraw/zinc/12/91/32/801129132.db2.gz BNLFFIUPAAMKFR-INIZCTEOSA-N 1 1 298.430 3.253 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(Cl)cc1C ZINC001038657219 801130077 /nfs/dbraw/zinc/13/00/77/801130077.db2.gz KBRYFRXMYJQHEH-CQSZACIVSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1ccc(Cl)cc1C ZINC001038657219 801130079 /nfs/dbraw/zinc/13/00/79/801130079.db2.gz KBRYFRXMYJQHEH-CQSZACIVSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1cccc(C2CCC2)c1 ZINC001038913949 801136984 /nfs/dbraw/zinc/13/69/84/801136984.db2.gz NOWRRCWEGPUGRA-SFHVURJKSA-N 1 1 298.430 3.334 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)csc1Cl ZINC001038958156 801138579 /nfs/dbraw/zinc/13/85/79/801138579.db2.gz MGSWWSHBWKOXRC-LLVKDONJSA-N 1 1 298.839 3.090 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](C2CCN(C(=O)CCC)CC2)C1 ZINC001039095972 801147596 /nfs/dbraw/zinc/14/75/96/801147596.db2.gz HBOSLTGJWSCWFN-KRWDZBQOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)/C(C)=C\C)CC2)C1 ZINC001039120809 801148938 /nfs/dbraw/zinc/14/89/38/801148938.db2.gz BXUCCMAONYEJOZ-DBCFMDJHSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)CC(C)C)CC2)C1 ZINC001039109170 801149453 /nfs/dbraw/zinc/14/94/53/801149453.db2.gz ONHCVKYDNQLZSE-QGZVFWFLSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C=C(C)C)C1 ZINC001039206630 801154466 /nfs/dbraw/zinc/15/44/66/801154466.db2.gz NQXZDSUFAZZGJT-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C(C)(C)C ZINC001039394918 801159997 /nfs/dbraw/zinc/15/99/97/801159997.db2.gz OYCYUIWBBWRHOJ-OAGGEKHMSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC(C)(C)C1 ZINC001039370149 801160699 /nfs/dbraw/zinc/16/06/99/801160699.db2.gz XCTMDMIEHVIWPW-CVEARBPZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)C(C)C ZINC001039420671 801161435 /nfs/dbraw/zinc/16/14/35/801161435.db2.gz BQEULSALUIUBKU-OWCLPIDISA-N 1 1 296.430 3.012 20 30 CGEDMO C=C[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC)c1ccccc1 ZINC001040012601 801170317 /nfs/dbraw/zinc/17/03/17/801170317.db2.gz SIFMYLZKQGDQQT-FGTMMUONSA-N 1 1 298.430 3.041 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@]2(CCN(C(=O)CC(C)C)C2)C1 ZINC001040043292 801170821 /nfs/dbraw/zinc/17/08/21/801170821.db2.gz DXDQQQHIWCEDCV-INIZCTEOSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@]2(CCN(C(=O)CC(C)C)C2)C1 ZINC001040043292 801170824 /nfs/dbraw/zinc/17/08/24/801170824.db2.gz DXDQQQHIWCEDCV-INIZCTEOSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)/C(C)=C/C)C2)C1 ZINC001040145652 801174101 /nfs/dbraw/zinc/17/41/01/801174101.db2.gz PVZKCXIETHOBPO-VIHDGPTJSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc(C)cc3)C2)C1 ZINC001040505440 801178103 /nfs/dbraw/zinc/17/81/03/801178103.db2.gz HJHGZXXAMWMPQP-IBGZPJMESA-N 1 1 298.430 3.109 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)C(CC)CC)C2)C1 ZINC001041078662 801186420 /nfs/dbraw/zinc/18/64/20/801186420.db2.gz XVUQQWYHXCTKTQ-INIZCTEOSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)C(CC)CC)C2)C1 ZINC001041078662 801186424 /nfs/dbraw/zinc/18/64/24/801186424.db2.gz XVUQQWYHXCTKTQ-INIZCTEOSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)CC3CCC3)C[C@H]21 ZINC001041996314 801198875 /nfs/dbraw/zinc/19/88/75/801198875.db2.gz IIIRIHVOFKHSKX-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](CCC)[C@@H]2C1 ZINC001042077981 801199606 /nfs/dbraw/zinc/19/96/06/801199606.db2.gz SIFIUUCRWPWAJO-UONOGXRCSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)C(C)C)C[C@@H]21 ZINC001042073231 801200098 /nfs/dbraw/zinc/20/00/98/801200098.db2.gz POZZLHSZUGYCBN-HOTGVXAUSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)c2ccsc2)CC1 ZINC001045358101 801273376 /nfs/dbraw/zinc/27/33/76/801273376.db2.gz MGHPNFBHSPJNIH-UHFFFAOYSA-N 1 1 298.839 3.085 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@H]2CC[C@@H](C)C2)CC1 ZINC001045577839 801280943 /nfs/dbraw/zinc/28/09/43/801280943.db2.gz VRNMGIMTABXWCX-OCCSQVGLSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C1CCC1)C2 ZINC001045907668 801291449 /nfs/dbraw/zinc/29/14/49/801291449.db2.gz CNAWVXRUMQDSOV-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C(F)=C(C)C)C2 ZINC001045927836 801293256 /nfs/dbraw/zinc/29/32/56/801293256.db2.gz NCQOMGSYPKMPEV-KRWDZBQOSA-N 1 1 294.414 3.140 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](C)CC)C2 ZINC001045919821 801293805 /nfs/dbraw/zinc/29/38/05/801293805.db2.gz VXICBZQEPDFQRX-WMZOPIPTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCCC[C@]2(CC[N@H+](CC)C2)C1 ZINC001045964266 801297280 /nfs/dbraw/zinc/29/72/80/801297280.db2.gz DSRFEJYSUNGMSN-ZWKOTPCHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001046328339 801306563 /nfs/dbraw/zinc/30/65/63/801306563.db2.gz YDBHXKUFPWLISL-DAYGRLMNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(Cl)c2)C1 ZINC001046794777 801325749 /nfs/dbraw/zinc/32/57/49/801325749.db2.gz DHLMWWRCYXFFSH-MRXNPFEDSA-N 1 1 292.810 3.110 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccs1 ZINC001049300589 801363316 /nfs/dbraw/zinc/36/33/16/801363316.db2.gz COMVUOOXHSZXND-UONOGXRCSA-N 1 1 290.432 3.003 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1(C)CCCC1 ZINC001049627298 801378566 /nfs/dbraw/zinc/37/85/66/801378566.db2.gz QXXDZTCCGGFVKI-HOTGVXAUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC(=C)Cl ZINC001049638158 801379852 /nfs/dbraw/zinc/37/98/52/801379852.db2.gz ZNGTXHICFNXUJO-KGLIPLIRSA-N 1 1 296.842 3.016 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC(=C)Cl ZINC001049638158 801379860 /nfs/dbraw/zinc/37/98/60/801379860.db2.gz ZNGTXHICFNXUJO-KGLIPLIRSA-N 1 1 296.842 3.016 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(C)cc1C ZINC001049878634 801390147 /nfs/dbraw/zinc/39/01/47/801390147.db2.gz YZQDRXAUINQHND-MSOLQXFVSA-N 1 1 298.430 3.168 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2sccc2C)CC1 ZINC001052162238 801419840 /nfs/dbraw/zinc/41/98/40/801419840.db2.gz MAKYLGKYXRFLJF-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](NC(=O)CC2CCCCC2)CC1 ZINC001052179325 801424153 /nfs/dbraw/zinc/42/41/53/801424153.db2.gz GMBPQPKGVKKRKU-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC=CCC2)CC1 ZINC001052196274 801426427 /nfs/dbraw/zinc/42/64/27/801426427.db2.gz WOBNHSWUDVDOSS-LSDHHAIUSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2cc(C)cs2)CC1 ZINC001052364717 801433536 /nfs/dbraw/zinc/43/35/36/801433536.db2.gz HMPHGUAXSVMXHS-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@]2(C)CC=CCC2)CC1 ZINC001052412404 801434158 /nfs/dbraw/zinc/43/41/58/801434158.db2.gz VHPWCELZZINQKT-FUHWJXTLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C2CCCC2)CC1 ZINC001052451313 801434223 /nfs/dbraw/zinc/43/42/23/801434223.db2.gz FHQJGZSIFBGWCW-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2C(C)C)CC1 ZINC001052431240 801435089 /nfs/dbraw/zinc/43/50/89/801435089.db2.gz LTQATGBQVNZPHD-INIZCTEOSA-N 1 1 298.430 3.028 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC)o2)CC1 ZINC001052500485 801436624 /nfs/dbraw/zinc/43/66/24/801436624.db2.gz HHSYKPXSTTUISH-AWEZNQCLSA-N 1 1 290.407 3.002 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)C[C@@H]2C=CCCC2)CC1 ZINC001052485872 801436944 /nfs/dbraw/zinc/43/69/44/801436944.db2.gz FILPKPWCIQGPDL-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC001052694446 801448133 /nfs/dbraw/zinc/44/81/33/801448133.db2.gz SYIBHIVYHLWUDP-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)c2cccs2)CC1 ZINC001052705845 801449593 /nfs/dbraw/zinc/44/95/93/801449593.db2.gz KVRMCIHTMPJPHL-KBPBESRZSA-N 1 1 292.448 3.008 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCC)C2)C1 ZINC001052998584 801460643 /nfs/dbraw/zinc/46/06/43/801460643.db2.gz ACINPEFGDMRPBB-IAGOWNOFSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC001053053104 801464535 /nfs/dbraw/zinc/46/45/35/801464535.db2.gz YRVYQDWIPJLVIB-CVEARBPZSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)/C(C)=C\C)C1 ZINC001053076596 801467376 /nfs/dbraw/zinc/46/73/76/801467376.db2.gz QLFSDYCPUXNMMQ-ANNBALGTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[C@]2(CC[N@H+](CCC)C2)C1 ZINC001054192446 801479915 /nfs/dbraw/zinc/47/99/15/801479915.db2.gz YQFOMZRPYCLFFZ-ZWKOTPCHSA-N 1 1 292.467 3.313 20 30 CGEDMO C[C@H]1C[C@@H](N2CCC[C@H]2C#N)CC[N@H+]1Cc1ccccc1 ZINC001256536757 806913201 /nfs/dbraw/zinc/91/32/01/806913201.db2.gz ISKKJMGVGXYHKH-SZMVWBNQSA-N 1 1 283.419 3.027 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CC2CCCC2)CC[C@@H]1C ZINC001071315461 801526791 /nfs/dbraw/zinc/52/67/91/801526791.db2.gz XWQHGPLTDKFAKM-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2ccoc2Cl)CC[C@H]1C ZINC001071467482 801538322 /nfs/dbraw/zinc/53/83/22/801538322.db2.gz RTZWUBFYYGAWSE-VXGBXAGGSA-N 1 1 296.798 3.092 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2ccc3occc3c2)CC[C@@H]1C ZINC001071526110 801542681 /nfs/dbraw/zinc/54/26/81/801542681.db2.gz QIPQHFCWTOEXMQ-XJKSGUPXSA-N 1 1 298.386 3.202 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2cocc2C)CC[C@H]1C ZINC001071743749 801549390 /nfs/dbraw/zinc/54/93/90/801549390.db2.gz DOOORTRQWVPWKA-HUUCEWRRSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CCCF)C2)CC1 ZINC001071794790 801551241 /nfs/dbraw/zinc/55/12/41/801551241.db2.gz FPHIQIXQMVLNMX-ZBFHGGJFSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2CC3(CC3)C2)CC[C@@H]1C ZINC001071819125 801553736 /nfs/dbraw/zinc/55/37/36/801553736.db2.gz SGSHWJURRWAIJK-HOCLYGCPSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc(Cl)cc2)CC[C@H]1C ZINC001072008123 801558804 /nfs/dbraw/zinc/55/88/04/801558804.db2.gz AJRNUPURAMZSPX-DOMZBBRYSA-N 1 1 292.810 3.109 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)ccc2C)CC[C@H]1C ZINC001072030999 801561540 /nfs/dbraw/zinc/56/15/40/801561540.db2.gz ZKYZLJSBISKECK-CVEARBPZSA-N 1 1 286.419 3.072 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cccc(C3CC3)c2)CC[C@@H]1C ZINC001072104703 801565973 /nfs/dbraw/zinc/56/59/73/801565973.db2.gz CVQPQXKTIDQABW-KSSFIOAISA-N 1 1 298.430 3.333 20 30 CGEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)c3cc(C)cc(C)c3)C2)C1 ZINC001073148933 801579293 /nfs/dbraw/zinc/57/92/93/801579293.db2.gz OYGPZSXRKMKONA-UHFFFAOYSA-N 1 1 298.430 3.027 20 30 CGEDMO C=C(C)C[N@H+]1CCC2(CN(C(=O)c3ccc(C)c(C)c3)C2)C1 ZINC001073400039 801579338 /nfs/dbraw/zinc/57/93/38/801579338.db2.gz IUURFGVHQLCTFC-UHFFFAOYSA-N 1 1 298.430 3.027 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccccc3C)[C@@H]2C1 ZINC001075506572 801604814 /nfs/dbraw/zinc/60/48/14/801604814.db2.gz PPKCFMWQBABPQO-FUHWJXTLSA-N 1 1 298.430 3.108 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC001256610847 806925420 /nfs/dbraw/zinc/92/54/20/806925420.db2.gz IYZRBGHCDCDERJ-GOSISDBHSA-N 1 1 297.446 3.277 20 30 CGEDMO N#CC[C@H]1CCCN(C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256610847 806925424 /nfs/dbraw/zinc/92/54/24/806925424.db2.gz IYZRBGHCDCDERJ-GOSISDBHSA-N 1 1 297.446 3.277 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC001080317255 801652028 /nfs/dbraw/zinc/65/20/28/801652028.db2.gz VEXBLYXZQSHADI-BXUZGUMPSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC001080317255 801652030 /nfs/dbraw/zinc/65/20/30/801652030.db2.gz VEXBLYXZQSHADI-BXUZGUMPSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](CCC(C)C)C[C@H]2C)CC1 ZINC001080384607 801652319 /nfs/dbraw/zinc/65/23/19/801652319.db2.gz GYQBEMASSSHQKT-NVXWUHKLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001081019809 801659273 /nfs/dbraw/zinc/65/92/73/801659273.db2.gz FGIALSBWSWYIID-OWCLPIDISA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(CC)CC)[C@@H]2C1 ZINC001084841629 801672745 /nfs/dbraw/zinc/67/27/45/801672745.db2.gz DHRFGROLXMUMCJ-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[N@@H+](CC(=C)C)[C@H]2C1 ZINC001085024130 801675075 /nfs/dbraw/zinc/67/50/75/801675075.db2.gz XSFYCCCUERTPDP-RYRKJORJSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)c(C)o1 ZINC001085550159 801692702 /nfs/dbraw/zinc/69/27/02/801692702.db2.gz MLHFFVXUZQQKSJ-OAHLLOKOSA-N 1 1 290.407 3.009 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC2(CC2)C1 ZINC001085594678 801695798 /nfs/dbraw/zinc/69/57/98/801695798.db2.gz MWPZDLNPUCCKDM-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)c(C)s1 ZINC001085960786 801714719 /nfs/dbraw/zinc/71/47/19/801714719.db2.gz OMBXCPGTJSHVPE-AWEZNQCLSA-N 1 1 292.448 3.087 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)c(C)s1 ZINC001085960787 801715145 /nfs/dbraw/zinc/71/51/45/801715145.db2.gz OMBXCPGTJSHVPE-CQSZACIVSA-N 1 1 292.448 3.087 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1ccoc1C(C)C ZINC001085994246 801719582 /nfs/dbraw/zinc/71/95/82/801719582.db2.gz GSKYGJZOZPWKIR-AWEZNQCLSA-N 1 1 290.407 3.125 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccoc1C(C)C ZINC001085994246 801719586 /nfs/dbraw/zinc/71/95/86/801719586.db2.gz GSKYGJZOZPWKIR-AWEZNQCLSA-N 1 1 290.407 3.125 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2csc(C)c2C)[C@H]1CC ZINC001087584475 801757991 /nfs/dbraw/zinc/75/79/91/801757991.db2.gz IWPZNUFKUICOMH-LSDHHAIUSA-N 1 1 292.448 3.134 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C)s2)[C@H]1C ZINC001088449983 801794487 /nfs/dbraw/zinc/79/44/87/801794487.db2.gz NHJOBNAELIUENK-KGLIPLIRSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2c(C)coc2C)[C@H]1C ZINC001088551506 801801251 /nfs/dbraw/zinc/80/12/51/801801251.db2.gz HJHNIPWYTITNPP-HIFRSBDPSA-N 1 1 290.407 3.055 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2C=CCCC2)[C@H]1C ZINC001088656884 801804535 /nfs/dbraw/zinc/80/45/35/801804535.db2.gz JDQZJTDRSOOXPM-ZACQAIPSSA-N 1 1 290.451 3.278 20 30 CGEDMO C=Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CCC(=C)C)[C@@H]2C)cc1 ZINC001088875610 801811434 /nfs/dbraw/zinc/81/14/34/801811434.db2.gz SWOWZWHYKCQIOZ-QAPCUYQASA-N 1 1 298.430 3.488 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C(F)F)cc2)[C@H]1C ZINC001088922028 801812772 /nfs/dbraw/zinc/81/27/72/801812772.db2.gz OOZVRAPOVHIEHI-RISCZKNCSA-N 1 1 294.345 3.003 20 30 CGEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2cccc(C(C)C)c2)[C@H]1C ZINC001088958319 801813922 /nfs/dbraw/zinc/81/39/22/801813922.db2.gz VQWIMRJGCRFAMJ-QAPCUYQASA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CCC2)CC(C)(C)C1 ZINC001089296237 801832118 /nfs/dbraw/zinc/83/21/18/801832118.db2.gz PHRHEWCBRXVRCN-CQSZACIVSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](C(C)C)CC(C)(C)C2)C1 ZINC001089485769 801841340 /nfs/dbraw/zinc/84/13/40/801841340.db2.gz PORBNDCHRLJJEM-HNNXBMFYSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccco1 ZINC001089595718 801844690 /nfs/dbraw/zinc/84/46/90/801844690.db2.gz NZPGJOXMXYGJKK-CQSZACIVSA-N 1 1 290.407 3.076 20 30 CGEDMO C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccoc1 ZINC001089605531 801846492 /nfs/dbraw/zinc/84/64/92/801846492.db2.gz OSIYGOHIZAHJKN-OAHLLOKOSA-N 1 1 290.407 3.076 20 30 CGEDMO C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CCCCC1 ZINC001089601989 801846765 /nfs/dbraw/zinc/84/67/65/801846765.db2.gz UWJPMPRWSUZBIQ-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C1CCC(C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CC)CC1 ZINC001089688700 801847940 /nfs/dbraw/zinc/84/79/40/801847940.db2.gz YHMMRAZJKXWVMK-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC(C)(C)C1)C2 ZINC001095909071 801887147 /nfs/dbraw/zinc/88/71/47/801887147.db2.gz JZPYYTOSRIXARP-PMPSAXMXSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)c1ccccc1)C2 ZINC001096384173 801888665 /nfs/dbraw/zinc/88/86/65/801888665.db2.gz LKFNRIQKYVLJCD-BGTYHANMSA-N 1 1 298.430 3.088 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1C)C2 ZINC001096752273 801894706 /nfs/dbraw/zinc/89/47/06/801894706.db2.gz SIGUBOUGHRZIJR-NXHRZFHOSA-N 1 1 298.430 3.296 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(C)C=CCC1)C2 ZINC001097664253 801902016 /nfs/dbraw/zinc/90/20/16/801902016.db2.gz HDLHBBISXWXMFC-XLMAVXFVSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)CC ZINC001098917087 801919748 /nfs/dbraw/zinc/91/97/48/801919748.db2.gz VZRZCSDCAQJGBY-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H](C)C(C)C ZINC001098960900 801922559 /nfs/dbraw/zinc/92/25/59/801922559.db2.gz TZZSBEVVFPGPRZ-CVEARBPZSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)/C(C)=C/C ZINC001099001561 801923736 /nfs/dbraw/zinc/92/37/36/801923736.db2.gz VBWJXDVVJAVTCG-KEQVLUGWSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC1CC1 ZINC001098989275 801924248 /nfs/dbraw/zinc/92/42/48/801924248.db2.gz WIYFBZZTIHTMAR-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)C1CC1 ZINC001099001913 801924938 /nfs/dbraw/zinc/92/49/38/801924938.db2.gz YAPVBVJSHPJMSI-ZBFHGGJFSA-N 1 1 292.467 3.215 20 30 CGEDMO C#CCCCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCC ZINC001099029312 801926251 /nfs/dbraw/zinc/92/62/51/801926251.db2.gz XPNAWIATAVVRRC-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H](C)CC ZINC001099038275 801926288 /nfs/dbraw/zinc/92/62/88/801926288.db2.gz DXTFMERGEXSRRO-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)C1CCC1 ZINC001099122349 801927768 /nfs/dbraw/zinc/92/77/68/801927768.db2.gz YOQRNZIKRMNJBR-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC(=C)C ZINC001099098681 801928520 /nfs/dbraw/zinc/92/85/20/801928520.db2.gz UUNZXAGRKYQVKT-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1(F)CCCC1 ZINC001099130267 801929950 /nfs/dbraw/zinc/92/99/50/801929950.db2.gz JRTUFHVLRKFRIX-AWEZNQCLSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCF ZINC001099175349 801932666 /nfs/dbraw/zinc/93/26/66/801932666.db2.gz IESATKRVZUKEET-OAHLLOKOSA-N 1 1 298.446 3.309 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)C(C)C ZINC001099251162 801933846 /nfs/dbraw/zinc/93/38/46/801933846.db2.gz GZZPQAOZLXKZGI-GJZGRUSLSA-N 1 1 280.456 3.071 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCF ZINC001099214181 801935060 /nfs/dbraw/zinc/93/50/60/801935060.db2.gz HSKVGGYUNXRVQZ-WMLDXEAASA-N 1 1 298.446 3.165 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCF ZINC001099214181 801935062 /nfs/dbraw/zinc/93/50/62/801935062.db2.gz HSKVGGYUNXRVQZ-WMLDXEAASA-N 1 1 298.446 3.165 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CN(C(=O)C(CC)CC)C[C@]2(C)C1 ZINC001101129885 801972570 /nfs/dbraw/zinc/97/25/70/801972570.db2.gz PTHIJZACWIEXBZ-AEFFLSMTSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](CNC(=O)CC2CCCC2)[C@H](C)C1 ZINC001101692286 801988082 /nfs/dbraw/zinc/98/80/82/801988082.db2.gz IYRFKXDISPTOEY-NVXWUHKLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)CCCC)[C@H](C)C1 ZINC001101933444 801995725 /nfs/dbraw/zinc/99/57/25/801995725.db2.gz LKNVPFQHXUHIPZ-GVDBMIGSSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C2(C)CCC2)[C@H](C)C1 ZINC001102235919 802001503 /nfs/dbraw/zinc/00/15/03/802001503.db2.gz BABGBFQSAXWCIT-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)CC(=C)C)[C@H](C)C1 ZINC001102261364 802002866 /nfs/dbraw/zinc/00/28/66/802002866.db2.gz XEHHDIOPYHAAKR-BRWVUGGUSA-N 1 1 292.467 3.239 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](CNC(=O)CCC(C)(C)C)[C@H](C)C1 ZINC001102474199 802009093 /nfs/dbraw/zinc/00/90/93/802009093.db2.gz KCHZCGFTEAZNHV-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)CC(C)C)[C@H](C)C1 ZINC001102485969 802009372 /nfs/dbraw/zinc/00/93/72/802009372.db2.gz LGLORUKROBISJX-BRWVUGGUSA-N 1 1 294.483 3.319 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)CCC)C1 ZINC001102758454 802020265 /nfs/dbraw/zinc/02/02/65/802020265.db2.gz ICZWKKGBNWVHBC-GVDBMIGSSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)CCC(=O)NCC[C@@H]1C[N@@H+](C[C@@H](F)CC)C[C@H]1C ZINC001103040335 802027518 /nfs/dbraw/zinc/02/75/18/802027518.db2.gz QFQDERDRDHJQTO-OAGGEKHMSA-N 1 1 298.446 3.165 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)C(=C)C)C1 ZINC001103306917 802028769 /nfs/dbraw/zinc/02/87/69/802028769.db2.gz YKIXGABLPPHQFC-HZPDHXFCSA-N 1 1 292.467 3.239 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC2(C)C)C1 ZINC001103349467 802032255 /nfs/dbraw/zinc/03/22/55/802032255.db2.gz CSIVQEJQMZJJEL-OAGGEKHMSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCCCC(=O)NCC[C@@H]1C[N@@H+](CC[C@H](C)F)C[C@H]1C ZINC001103382617 802032330 /nfs/dbraw/zinc/03/23/30/802032330.db2.gz OPTYHBAHTZMSHJ-OWCLPIDISA-N 1 1 298.446 3.165 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(CCC)CCC)C1 ZINC001103376185 802033427 /nfs/dbraw/zinc/03/34/27/802033427.db2.gz OADASCSZEDOVDA-NVXWUHKLSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)C)C1 ZINC001103665611 802036758 /nfs/dbraw/zinc/03/67/58/802036758.db2.gz MDSMZWQIYLTYHT-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCC(=O)N1CCC([C@@H]2[N@@H+](CC)CC23CCC3)CC1 ZINC001105389568 802057508 /nfs/dbraw/zinc/05/75/08/802057508.db2.gz SZVDLNIRDRDXLK-KRWDZBQOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)CC(C)C)CCC[C@@H]12 ZINC001107264728 802083000 /nfs/dbraw/zinc/08/30/00/802083000.db2.gz HEGMFJXUPNPZAO-SJLPKXTDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@]2(CNC(=O)/C(C)=C/C)CCC[C@@H]12 ZINC001107356629 802084917 /nfs/dbraw/zinc/08/49/17/802084917.db2.gz MFLWYCGSMBTLCQ-CUMWPQIJSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)C(C)=C3CCC3)CCC[C@@H]12 ZINC001107395663 802087690 /nfs/dbraw/zinc/08/76/90/802087690.db2.gz IOPZZFNNXLYGTN-SJLPKXTDSA-N 1 1 288.435 3.034 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](F)CC)CCC[C@@H]12 ZINC001107507450 802089800 /nfs/dbraw/zinc/08/98/00/802089800.db2.gz BOWBCDFVGVLSGD-BFYDXBDKSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC=C)CC2 ZINC001107524258 802090666 /nfs/dbraw/zinc/09/06/66/802090666.db2.gz PSMGKNAKAJMXQT-SJLPKXTDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)CC[C@H](C)CC)CCC[C@@H]12 ZINC001107585528 802092452 /nfs/dbraw/zinc/09/24/52/802092452.db2.gz FFXWWYJMUJZXHX-JFIYKMOQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)CCC=C ZINC001109055051 802106899 /nfs/dbraw/zinc/10/68/99/802106899.db2.gz MKPZUEJWLSWFNT-WCVJEAGWSA-N 1 1 276.424 3.029 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)CCCC)C2 ZINC001109229443 802111902 /nfs/dbraw/zinc/11/19/02/802111902.db2.gz UVDBTFGCPZBZPM-FZKCQIBNSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC(C)(C)C1)C2 ZINC001109222648 802113073 /nfs/dbraw/zinc/11/30/73/802113073.db2.gz UANOTIGNRICJHJ-PMPSAXMXSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](C)CC ZINC001109342981 802114856 /nfs/dbraw/zinc/11/48/56/802114856.db2.gz DKVDDDUHVJDMJR-WCVJEAGWSA-N 1 1 292.467 3.356 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)C ZINC001109634175 802120407 /nfs/dbraw/zinc/12/04/07/802120407.db2.gz FIOXECHNRSAJNT-YVSFHVDLSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(C)C1 ZINC001109657969 802121256 /nfs/dbraw/zinc/12/12/56/802121256.db2.gz MCTBHGKDSFSPDK-JWRYVHENSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)C ZINC001109678940 802123255 /nfs/dbraw/zinc/12/32/55/802123255.db2.gz MROFOLBHXYQLDE-MUQADHOPSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(CC)CC)C2 ZINC001110308925 802136902 /nfs/dbraw/zinc/13/69/02/802136902.db2.gz VZONJTMFRSKTJO-OAGGEKHMSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C=C(CC)CC)C2 ZINC001110447428 802143129 /nfs/dbraw/zinc/14/31/29/802143129.db2.gz CUGVXFCKBWXDEI-OAGGEKHMSA-N 1 1 276.424 3.030 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C(C)(C)C)C2 ZINC001110722901 802146462 /nfs/dbraw/zinc/14/64/62/802146462.db2.gz WXMFZFCZDJESKK-FPCVCCKLSA-N 1 1 292.467 3.356 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(CC(C)C)CC1)C2 ZINC001110647125 802146632 /nfs/dbraw/zinc/14/66/32/802146632.db2.gz HHWSMSAMKDPBOI-OAGGEKHMSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C(C)C)CC1)C2 ZINC001111007048 802152260 /nfs/dbraw/zinc/15/22/60/802152260.db2.gz WKTNMIRVRQXHNC-OAGGEKHMSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)CCC)C2 ZINC001111190216 802157066 /nfs/dbraw/zinc/15/70/66/802157066.db2.gz UJSOMDCTGKBBEX-JJXSEGSLSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(C)(C)F)C1 ZINC001111559791 802161313 /nfs/dbraw/zinc/16/13/13/802161313.db2.gz GJGMZUMQXAGHNM-ZQIUZPCESA-N 1 1 296.430 3.060 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC2CC2)C1 ZINC001111677009 802167046 /nfs/dbraw/zinc/16/70/46/802167046.db2.gz LOJVFPCTJFYODU-WMZOPIPTSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C[C@H](C)[C@H](C)C(=O)N1CC[NH+](CC2=CCCCC2)CC1 ZINC001113226642 802206832 /nfs/dbraw/zinc/20/68/32/802206832.db2.gz IWRLMXGDXMNHPL-HOTGVXAUSA-N 1 1 290.451 3.089 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(C)C ZINC001113803549 802233713 /nfs/dbraw/zinc/23/37/13/802233713.db2.gz JJNYHIHSPUEDTF-QLPKVWCKSA-N 1 1 280.456 3.049 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)C(CC)CC ZINC001114498930 802242700 /nfs/dbraw/zinc/24/27/00/802242700.db2.gz HWGVYFNYKXOKEJ-SIXLDLHFSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3ccccc3)C[C@H]21 ZINC001114686860 802243655 /nfs/dbraw/zinc/24/36/55/802243655.db2.gz SZWZENSUUFRBTJ-SIXLDLHFSA-N 1 1 298.430 3.006 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)C(C)(C)C ZINC001115174496 802254069 /nfs/dbraw/zinc/25/40/69/802254069.db2.gz RVBLEMHOGJRMRP-AIANPOQGSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CCCC)C(C)C ZINC001115314158 802255167 /nfs/dbraw/zinc/25/51/67/802255167.db2.gz PPCBLNQVLCJUSN-MWDXBVQZSA-N 1 1 292.467 3.071 20 30 CGEDMO C#CC[N@H+](CC)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC001116440601 802349769 /nfs/dbraw/zinc/34/97/69/802349769.db2.gz MBQKLLTZJOBHFZ-UHFFFAOYSA-N 1 1 273.767 3.185 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CC)CCNC(=O)c1c(C)coc1C ZINC001266387932 808254833 /nfs/dbraw/zinc/25/48/33/808254833.db2.gz LQVSUSHTQVBIFA-CQSZACIVSA-N 1 1 292.423 3.303 20 30 CGEDMO C#CC[N@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)CC1CC1 ZINC001116725200 802401670 /nfs/dbraw/zinc/40/16/70/802401670.db2.gz UMWDRGHFESOVRR-UVTDQMKNSA-N 1 1 284.359 3.343 20 30 CGEDMO CC(C)COCC[C@@H](C)[N@H+]1CCC[C@H](CC#N)C1 ZINC001172475290 808340580 /nfs/dbraw/zinc/34/05/80/808340580.db2.gz HOUJWMXLOCBUGF-HUUCEWRRSA-N 1 1 252.402 3.063 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@H+]2CCCC2CCCC2)C1=O ZINC001273100481 808832996 /nfs/dbraw/zinc/83/29/96/808832996.db2.gz AIYSTVJHWSYBKR-GOSISDBHSA-N 1 1 290.451 3.210 20 30 CGEDMO C#CC1CCN(c2[nH+]ccc3c(C)cccc32)CC1 ZINC001118189401 802535544 /nfs/dbraw/zinc/53/55/44/802535544.db2.gz KCHFTNCFVNJEFJ-UHFFFAOYSA-N 1 1 250.345 3.393 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](CCc2ccc(F)cc2F)C1 ZINC001118649101 802592004 /nfs/dbraw/zinc/59/20/04/802592004.db2.gz CWMKCOZPNBWBCG-GFCCVEGCSA-N 1 1 264.319 3.133 20 30 CGEDMO Cc1cccc(NC[C@H]2CCC[N@@H+]2C[C@@H](C)CCC#N)n1 ZINC001119296245 802644676 /nfs/dbraw/zinc/64/46/76/802644676.db2.gz PFXCWEIZGAGOCG-GOEBONIOSA-N 1 1 286.423 3.206 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)CCc1ccns1 ZINC001119702000 802693775 /nfs/dbraw/zinc/69/37/75/802693775.db2.gz JIHXNQLXMIRBOO-UHFFFAOYSA-N 1 1 262.378 3.009 20 30 CGEDMO COc1cccc(C[N@@H+]2CCC[C@](C)(C#N)C2)c1C ZINC001119729354 802695582 /nfs/dbraw/zinc/69/55/82/802695582.db2.gz QXKKDWGIQXEASN-MRXNPFEDSA-N 1 1 258.365 3.129 20 30 CGEDMO COc1cccc(C[N@H+]2CCC[C@](C)(C#N)C2)c1C ZINC001119729354 802695585 /nfs/dbraw/zinc/69/55/85/802695585.db2.gz QXKKDWGIQXEASN-MRXNPFEDSA-N 1 1 258.365 3.129 20 30 CGEDMO N#Cc1cc(Cl)cc(C[NH2+][C@@H](CCO)c2ccco2)c1 ZINC001119741465 802696748 /nfs/dbraw/zinc/69/67/48/802696748.db2.gz XXAMZGRGDSJLFE-AWEZNQCLSA-N 1 1 290.750 3.018 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CC)C1 ZINC001120391855 802743398 /nfs/dbraw/zinc/74/33/98/802743398.db2.gz HYHBGSVFVJDXTC-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+]2CC=C)C1 ZINC001120422053 802744375 /nfs/dbraw/zinc/74/43/75/802744375.db2.gz IREXEPCVCRGEKF-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCCN(CC)C(=O)c1cnn(-c2cc[nH+]cc2)c1C ZINC001121146085 802808499 /nfs/dbraw/zinc/80/84/99/802808499.db2.gz DLYOZDGWPUAPCS-UHFFFAOYSA-N 1 1 298.390 3.004 20 30 CGEDMO N#C[C@H]1CC=C(c2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001243794350 803012683 /nfs/dbraw/zinc/01/26/83/803012683.db2.gz FLFDXCGTRCDDSD-HNNXBMFYSA-N 1 1 282.387 3.226 20 30 CGEDMO Cc1cnc(C2=C[NH2+]CCC2)c(C#C[Si](C)(C)C)c1 ZINC001243949419 803095600 /nfs/dbraw/zinc/09/56/00/803095600.db2.gz KINCDHNJECRSAD-UHFFFAOYSA-N 1 1 270.452 3.343 20 30 CGEDMO C#CC[NH+](CC#C)CCc1ccc(Cl)cc1Cl ZINC001209082886 813929553 /nfs/dbraw/zinc/92/95/53/813929553.db2.gz GYKCMYNACVAPJX-UHFFFAOYSA-N 1 1 266.171 3.104 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)CC(C)(C)C)CC[C@@H]1C ZINC001131839750 803350079 /nfs/dbraw/zinc/35/00/79/803350079.db2.gz UOIZHBPKPXFHBD-GJZGRUSLSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC/C=C\CC)C1 ZINC001131895235 803355608 /nfs/dbraw/zinc/35/56/08/803355608.db2.gz HFGZEYCOJLBXHY-AJKQWTFCSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(CC)CC)C1 ZINC001131896901 803355688 /nfs/dbraw/zinc/35/56/88/803355688.db2.gz WZDXMQWIWMTBPY-HOCLYGCPSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)C=C(CC)CC)CC[C@@H]1C ZINC001131950769 803362119 /nfs/dbraw/zinc/36/21/19/803362119.db2.gz OBYCNISIIZYYJB-DZGCQCFKSA-N 1 1 298.858 3.454 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@H](NC(=O)C=C(CC)CC)CC[C@@H]1C ZINC001131950769 803362126 /nfs/dbraw/zinc/36/21/26/803362126.db2.gz OBYCNISIIZYYJB-DZGCQCFKSA-N 1 1 298.858 3.454 20 30 CGEDMO C#CCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCC(=C)C)C1 ZINC001131971279 803363367 /nfs/dbraw/zinc/36/33/67/803363367.db2.gz FKJQQGYFVSYHPW-IAGOWNOFSA-N 1 1 290.451 3.115 20 30 CGEDMO CC(C)CC[N@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@H]1C ZINC001132039425 803367874 /nfs/dbraw/zinc/36/78/74/803367874.db2.gz YVQKWKVVJIAJMB-CVEARBPZSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CCCC[N@H+]1C[C@H](NC(=O)/C=C(\C)CC)CC[C@@H]1C ZINC001132041924 803370040 /nfs/dbraw/zinc/37/00/40/803370040.db2.gz NEKGXRMEHCMBGA-KBYULJEUSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCC(C)C)C1 ZINC001132073585 803372184 /nfs/dbraw/zinc/37/21/84/803372184.db2.gz WVECSMWJRARRFL-CVEARBPZSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](CCC2CC2)C1 ZINC001132217999 803380415 /nfs/dbraw/zinc/38/04/15/803380415.db2.gz KFUHJSMSTRULRB-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)C(C)(C)C=C)CC[C@H]1C ZINC001132228537 803382822 /nfs/dbraw/zinc/38/28/22/803382822.db2.gz SIEFODHAZJIBHI-HUUCEWRRSA-N 1 1 278.440 3.134 20 30 CGEDMO C=C/C(C)=C/CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCC(=C)C)C1 ZINC001132228380 803383789 /nfs/dbraw/zinc/38/37/89/803383789.db2.gz QBLVEKNQJJWBMX-JRLUYGLASA-N 1 1 290.451 3.444 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](CC2CCCC2)C1 ZINC001132228145 803384336 /nfs/dbraw/zinc/38/43/36/803384336.db2.gz MVUACAHKHNDYGM-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](C/C=C\Cl)C1 ZINC001132249088 803386764 /nfs/dbraw/zinc/38/67/64/803386764.db2.gz LKNGHCLGVORNDA-DNFKICFMSA-N 1 1 284.831 3.064 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](C/C=C\Cl)C1 ZINC001132249088 803386767 /nfs/dbraw/zinc/38/67/67/803386767.db2.gz LKNGHCLGVORNDA-DNFKICFMSA-N 1 1 284.831 3.064 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)CCCC2CC2)CC[C@H]1C ZINC001132250019 803387823 /nfs/dbraw/zinc/38/78/23/803387823.db2.gz WPOFGEREXVSKBB-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC1(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CCC)C2)CC1 ZINC001132277293 803389876 /nfs/dbraw/zinc/38/98/76/803389876.db2.gz FEOYQKVJJSVFMJ-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)CCC(C)(C)C)CC[C@H]1C ZINC001132370826 803397938 /nfs/dbraw/zinc/39/79/38/803397938.db2.gz BXABPZMLYVWTSM-HUUCEWRRSA-N 1 1 280.456 3.358 20 30 CGEDMO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)CC(C)(C)C)CC[C@@H]1C ZINC001132505376 803408622 /nfs/dbraw/zinc/40/86/22/803408622.db2.gz RVVOYBMMVOACMG-GJZGRUSLSA-N 1 1 292.467 3.051 20 30 CGEDMO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)CC(C)(C)C)CC[C@@H]1C ZINC001132505376 803408626 /nfs/dbraw/zinc/40/86/26/803408626.db2.gz RVVOYBMMVOACMG-GJZGRUSLSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CC[N@H+](Cc1cnc2cccc(C)n12)C(C)(C)C ZINC001137199752 803696737 /nfs/dbraw/zinc/69/67/37/803696737.db2.gz AEIGVNAHBQNWLX-UHFFFAOYSA-N 1 1 257.381 3.429 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@H](C)C[C@H]2C)c(C#N)c1 ZINC001137703370 803760801 /nfs/dbraw/zinc/76/08/01/803760801.db2.gz LAXZDXGNRBVVPO-QWHCGFSZSA-N 1 1 258.365 3.187 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccccc1C(=O)OC ZINC001137790170 803773204 /nfs/dbraw/zinc/77/32/04/803773204.db2.gz DHASPXVQIRMMGQ-UHFFFAOYSA-N 1 1 261.365 3.261 20 30 CGEDMO C#CC[NH+](CC#C)Cc1cc(C)n(-c2ccccc2)c1C ZINC001137859230 803788467 /nfs/dbraw/zinc/78/84/67/803788467.db2.gz OXKRPCOTVAUDRK-UHFFFAOYSA-N 1 1 276.383 3.163 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC[C@H]2C(C)C)cc1OC ZINC001138346829 803898102 /nfs/dbraw/zinc/89/81/02/803898102.db2.gz OURRYYHPZIKTKO-INIZCTEOSA-N 1 1 287.403 3.328 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCCC[C@@H](C)C2)cc1OC ZINC001138344130 803898342 /nfs/dbraw/zinc/89/83/42/803898342.db2.gz YFKVWXDYDGTAMF-OAHLLOKOSA-N 1 1 287.403 3.329 20 30 CGEDMO C[N@H+](Cc1ccc(C#Cc2ccccc2)cc1)CC1COC1 ZINC001138336541 803898800 /nfs/dbraw/zinc/89/88/00/803898800.db2.gz UOGFVFPJNPDGFA-UHFFFAOYSA-N 1 1 291.394 3.165 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CCc3cnccc3C2)c1O ZINC001138625789 803983292 /nfs/dbraw/zinc/98/32/92/803983292.db2.gz SVFOIRXVJPDKSW-UHFFFAOYSA-N 1 1 280.371 3.074 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CCn3cccc3[C@@H]2C)c1O ZINC001138628007 803984965 /nfs/dbraw/zinc/98/49/65/803984965.db2.gz LRCUDFCAMGXJNG-AWEZNQCLSA-N 1 1 282.387 3.499 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)c1O ZINC001138628564 803985250 /nfs/dbraw/zinc/98/52/50/803985250.db2.gz XHAOUCNZBCVBRP-OAHLLOKOSA-N 1 1 279.330 3.352 20 30 CGEDMO C=CCc1cccc(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)c1O ZINC001138630225 803985556 /nfs/dbraw/zinc/98/55/56/803985556.db2.gz SFFFCULKHBKXSV-KKUMJFAQSA-N 1 1 261.340 3.053 20 30 CGEDMO C=CCc1cccc(C[N@@H+](C)Cc2cccnc2C)c1O ZINC001138630482 803986616 /nfs/dbraw/zinc/98/66/16/803986616.db2.gz XPUVHSSZZUHJMA-UHFFFAOYSA-N 1 1 282.387 3.456 20 30 CGEDMO C=CCc1cccc(CN2CC[C@@H]([N@H+](C)C(C)C)C2)c1O ZINC001138629859 803986721 /nfs/dbraw/zinc/98/67/21/803986721.db2.gz JJSYOQAGDXYCKI-QGZVFWFLSA-N 1 1 288.435 3.035 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CC[C@@H](N(C)C(C)C)C2)c1O ZINC001138629859 803986729 /nfs/dbraw/zinc/98/67/29/803986729.db2.gz JJSYOQAGDXYCKI-QGZVFWFLSA-N 1 1 288.435 3.035 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2CC[C@@H](N(C)C(C)C)C2)c1O ZINC001138629859 803986732 /nfs/dbraw/zinc/98/67/32/803986732.db2.gz JJSYOQAGDXYCKI-QGZVFWFLSA-N 1 1 288.435 3.035 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+](C)CC1CCOCC1 ZINC001138661534 803994674 /nfs/dbraw/zinc/99/46/74/803994674.db2.gz BMJHKAIYJZAMLZ-UHFFFAOYSA-N 1 1 289.419 3.500 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1C[C@@H](CO)CC[C@@H]1C ZINC001138661698 803995524 /nfs/dbraw/zinc/99/55/24/803995524.db2.gz FDZJGRYFNYRPNT-HOTGVXAUSA-N 1 1 289.419 3.234 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1CCC[C@@H](C)[C@@H]1CO ZINC001138662320 803996789 /nfs/dbraw/zinc/99/67/89/803996789.db2.gz UFQQSGSSBYJIDF-WBVHZDCISA-N 1 1 289.419 3.234 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001138664930 803997005 /nfs/dbraw/zinc/99/70/05/803997005.db2.gz AUYGBQOTDFTARS-SJLPKXTDSA-N 1 1 287.403 3.252 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCCO3)CC1 ZINC001138716813 804013371 /nfs/dbraw/zinc/01/33/71/804013371.db2.gz ZFDMYSFRTXITED-CQSZACIVSA-N 1 1 270.376 3.137 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[NH2+]C[C@@H](N)C(C)C ZINC001246003785 804097270 /nfs/dbraw/zinc/09/72/70/804097270.db2.gz NXUCZIXMBGSEGD-DLBZAZTESA-N 1 1 286.504 3.451 20 30 CGEDMO CCCCCCCCCC[C@H](O)CNC[C@@H]([NH3+])C(C)C ZINC001246003785 804097278 /nfs/dbraw/zinc/09/72/78/804097278.db2.gz NXUCZIXMBGSEGD-DLBZAZTESA-N 1 1 286.504 3.451 20 30 CGEDMO CCCCCCCC[C@H](O)CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001246024384 804100674 /nfs/dbraw/zinc/10/06/74/804100674.db2.gz FNRDVQZGDSXAOI-ROUUACIJSA-N 1 1 296.499 3.173 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@H]1CN ZINC001246062841 804103759 /nfs/dbraw/zinc/10/37/59/804103759.db2.gz JTUPNRDHUKMDKH-IAGOWNOFSA-N 1 1 284.488 3.301 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[N@H+]1CCC[C@@H]1CN ZINC001246062841 804103767 /nfs/dbraw/zinc/10/37/67/804103767.db2.gz JTUPNRDHUKMDKH-IAGOWNOFSA-N 1 1 284.488 3.301 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCc2cnccc2C1 ZINC001139026851 804112276 /nfs/dbraw/zinc/11/22/76/804112276.db2.gz CUWVUVYPZIOXQA-UHFFFAOYSA-N 1 1 280.371 3.205 20 30 CGEDMO N#Cc1ccc(C2CCC([NH2+]CC3(N)CCCC3)CC2)cc1 ZINC001246074713 804113630 /nfs/dbraw/zinc/11/36/30/804113630.db2.gz GPSIOVVVQJFRMV-UHFFFAOYSA-N 1 1 297.446 3.446 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001139029769 804113959 /nfs/dbraw/zinc/11/39/59/804113959.db2.gz MLTXQIRHVMWAMM-HNNXBMFYSA-N 1 1 270.376 3.377 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC001139076715 804126086 /nfs/dbraw/zinc/12/60/86/804126086.db2.gz WJDGJPWGWUWEAS-NSHDSACASA-N 1 1 292.766 3.194 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC001139076715 804126090 /nfs/dbraw/zinc/12/60/90/804126090.db2.gz WJDGJPWGWUWEAS-NSHDSACASA-N 1 1 292.766 3.194 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1ccc2cccnc2c1 ZINC001139169724 804148306 /nfs/dbraw/zinc/14/83/06/804148306.db2.gz SKMXYJPHKGRPNK-UHFFFAOYSA-N 1 1 253.349 3.360 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1ccc2cccnc2c1 ZINC001139169724 804148309 /nfs/dbraw/zinc/14/83/09/804148309.db2.gz SKMXYJPHKGRPNK-UHFFFAOYSA-N 1 1 253.349 3.360 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2nsnc2c1 ZINC001139212465 804165800 /nfs/dbraw/zinc/16/58/00/804165800.db2.gz DSYFIAQTAQJDKT-UHFFFAOYSA-N 1 1 294.383 3.195 20 30 CGEDMO CCCCCCC[C@@H](CC(C)C)[NH2+]C[C@@]12CN[C@@H](CO1)C2 ZINC001246145799 804166931 /nfs/dbraw/zinc/16/69/31/804166931.db2.gz FAJZONAZFPIZGZ-KSZLIROESA-N 1 1 296.499 3.482 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(Oc2ccccc2)nc1 ZINC001139247104 804170008 /nfs/dbraw/zinc/17/00/08/804170008.db2.gz VHVPVUJJGIKDFI-UHFFFAOYSA-N 1 1 254.333 3.492 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](Cc2ccc(-c3cccnc3)cc2)C1 ZINC001139645401 804241914 /nfs/dbraw/zinc/24/19/14/804241914.db2.gz HQFGEGXSMBQMKR-GOSISDBHSA-N 1 1 277.371 3.484 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](Cc2ccc(-c3cccnc3)cc2)C1 ZINC001139645401 804241919 /nfs/dbraw/zinc/24/19/19/804241919.db2.gz HQFGEGXSMBQMKR-GOSISDBHSA-N 1 1 277.371 3.484 20 30 CGEDMO COc1ccc(CC[N@@H+](C)Cc2cc(C#N)ccc2F)cc1 ZINC001139651220 804243405 /nfs/dbraw/zinc/24/34/05/804243405.db2.gz KYLIPDBTIYGJEP-UHFFFAOYSA-N 1 1 298.361 3.380 20 30 CGEDMO C#Cc1cccc(CN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC001246262601 804244784 /nfs/dbraw/zinc/24/47/84/804244784.db2.gz ITEQXVIPLHLPAT-UXHICEINSA-N 1 1 290.410 3.251 20 30 CGEDMO COC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(Cl)c1C#N ZINC001139693616 804256860 /nfs/dbraw/zinc/25/68/60/804256860.db2.gz MVGYXHSPHZUAIO-PBWFPOADSA-N 1 1 290.794 3.353 20 30 CGEDMO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(Cl)c1C#N ZINC001139693616 804256864 /nfs/dbraw/zinc/25/68/64/804256864.db2.gz MVGYXHSPHZUAIO-PBWFPOADSA-N 1 1 290.794 3.353 20 30 CGEDMO Cc1ccc(C[N@H+](CCCCCO)C(C)C)cc1C#N ZINC001139726969 804266523 /nfs/dbraw/zinc/26/65/23/804266523.db2.gz DQCHPLXVGBRBEX-UHFFFAOYSA-N 1 1 274.408 3.240 20 30 CGEDMO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C)c(C#N)c1 ZINC001139726030 804267092 /nfs/dbraw/zinc/26/70/92/804267092.db2.gz OBGGVMYMUVZQLX-SJPCQFCGSA-N 1 1 270.376 3.009 20 30 CGEDMO Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1C#N ZINC001139726450 804267417 /nfs/dbraw/zinc/26/74/17/804267417.db2.gz OJEKHXVVHCZYQK-XGBSXSJOSA-N 1 1 265.360 3.133 20 30 CGEDMO CC[N@@H+](Cc1cccnc1)Cc1ccc(C)c(C#N)c1 ZINC001139726291 804267832 /nfs/dbraw/zinc/26/78/32/804267832.db2.gz FQPPJTXTUZYDKG-UHFFFAOYSA-N 1 1 265.360 3.284 20 30 CGEDMO C=CCn1cc(C[N@H+]2CC[C@@H](c3ccccc3)C2)cn1 ZINC001139766669 804277178 /nfs/dbraw/zinc/27/71/78/804277178.db2.gz UCNHSWRXJCGVLY-QGZVFWFLSA-N 1 1 267.376 3.059 20 30 CGEDMO C=CCn1cc(C[N@H+]2CCC[C@@H](Oc3ccccc3)C2)cn1 ZINC001139770299 804278850 /nfs/dbraw/zinc/27/88/50/804278850.db2.gz LIGSIFLZEIHPET-GOSISDBHSA-N 1 1 297.402 3.113 20 30 CGEDMO CC(C)[N@@H+](CCCCCO)Cc1cc(F)cc(C#N)c1 ZINC001139878373 804308273 /nfs/dbraw/zinc/30/82/73/804308273.db2.gz JVRXOZWVMOOMSA-UHFFFAOYSA-N 1 1 278.371 3.070 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccccc2-c2cncnc2)C1 ZINC001140018666 804351627 /nfs/dbraw/zinc/35/16/27/804351627.db2.gz DNXGELYHBAKEAP-OAHLLOKOSA-N 1 1 292.386 3.269 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccccc2-c2cncnc2)C1 ZINC001140018665 804352244 /nfs/dbraw/zinc/35/22/44/804352244.db2.gz DNXGELYHBAKEAP-HNNXBMFYSA-N 1 1 292.386 3.269 20 30 CGEDMO C=CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC001246486045 804355197 /nfs/dbraw/zinc/35/51/97/804355197.db2.gz CAMNEDBXIQVMTR-FCLJQHQZSA-N 1 1 256.393 3.176 20 30 CGEDMO N#Cc1ccc2[nH]cc(C[N@H+]3CC[C@H]4CCCO[C@@H]4C3)c2c1 ZINC001140110785 804378680 /nfs/dbraw/zinc/37/86/80/804378680.db2.gz STYJUIKFMAOLDM-RDTXWAMCSA-N 1 1 295.386 3.040 20 30 CGEDMO C[N@@H+](Cc1c[nH]c2ccc(C#N)cc12)C1CC(F)(F)C1 ZINC001140112056 804379248 /nfs/dbraw/zinc/37/92/48/804379248.db2.gz QBQMEWJDAAJFEG-UHFFFAOYSA-N 1 1 275.302 3.269 20 30 CGEDMO C[C@H]1C[C@H]2C[N@@H+](Cc3c[nH]c4ccc(C#N)cc34)CC[C@H]2O1 ZINC001140113009 804381313 /nfs/dbraw/zinc/38/13/13/804381313.db2.gz PWDHTYNDXBHQML-XAYKYTGQSA-N 1 1 295.386 3.039 20 30 CGEDMO N#C[C@@H]1CC[N@H+](Cc2ccccc2-c2cccnc2)C1 ZINC001140320726 804411517 /nfs/dbraw/zinc/41/15/17/804411517.db2.gz PFWBUIRGZGKPLI-AWEZNQCLSA-N 1 1 263.344 3.094 20 30 CGEDMO N#C[C@@H]1CC[N@@H+](Cc2ccccc2-c2cccnc2)C1 ZINC001140320726 804411521 /nfs/dbraw/zinc/41/15/21/804411521.db2.gz PFWBUIRGZGKPLI-AWEZNQCLSA-N 1 1 263.344 3.094 20 30 CGEDMO Cc1ccc2n[nH]c(C[N@@H+](C)Cc3ccc(C#N)cc3)c2c1 ZINC001140330593 804415595 /nfs/dbraw/zinc/41/55/95/804415595.db2.gz GVEIYIACDUBAOU-UHFFFAOYSA-N 1 1 290.370 3.375 20 30 CGEDMO Cc1ccc2n[nH]c(C[N@H+](C)Cc3ccc(C#N)cc3)c2c1 ZINC001140330593 804415597 /nfs/dbraw/zinc/41/55/97/804415597.db2.gz GVEIYIACDUBAOU-UHFFFAOYSA-N 1 1 290.370 3.375 20 30 CGEDMO CCCCCCC[C@@H](C)N1CCNC[C@@]2(CCCC[NH2+]2)C1 ZINC001246621525 804453843 /nfs/dbraw/zinc/45/38/43/804453843.db2.gz CRVXWLVSJGCQHQ-MSOLQXFVSA-N 1 1 295.515 3.153 20 30 CGEDMO C[N@@H+](C/C=C/c1ccccc1)Cc1ccc(C#N)nc1 ZINC001140545356 804457749 /nfs/dbraw/zinc/45/77/49/804457749.db2.gz ARVLQOSIVOOIPE-VMPITWQZSA-N 1 1 263.344 3.098 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)cn1 ZINC001140543159 804458172 /nfs/dbraw/zinc/45/81/72/804458172.db2.gz LEESCSMCDPXGGI-KRWDZBQOSA-N 1 1 291.398 3.408 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(C#N)nc1)C1CCCCC1 ZINC001140546599 804458713 /nfs/dbraw/zinc/45/87/13/804458713.db2.gz NBSSJYKGVRKEHF-UHFFFAOYSA-N 1 1 255.365 3.274 20 30 CGEDMO N#Cc1cccc(Nc2ccc[nH+]c2N)c1Br ZINC001212405926 815020975 /nfs/dbraw/zinc/02/09/75/815020975.db2.gz OXCRMKGQAPDNIB-UHFFFAOYSA-N 1 1 289.136 3.042 20 30 CGEDMO CCCCCCCCCC[C@@H](C)[N@H+]1CCNC[C@@H]1CO ZINC001246697290 804498691 /nfs/dbraw/zinc/49/86/91/804498691.db2.gz MKVMWOSFMZIMMD-IAGOWNOFSA-N 1 1 284.488 3.172 20 30 CGEDMO CCCCCCCCCC[C@@H](C)N1CC[NH2+]C[C@@H]1CO ZINC001246697290 804498695 /nfs/dbraw/zinc/49/86/95/804498695.db2.gz MKVMWOSFMZIMMD-IAGOWNOFSA-N 1 1 284.488 3.172 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1ccc2ncn(C)c2c1 ZINC001140746682 804503605 /nfs/dbraw/zinc/50/36/05/804503605.db2.gz LSJCVLWIHJRZAH-UHFFFAOYSA-N 1 1 270.380 3.089 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1ccc2ncn(C)c2c1 ZINC001140746682 804503607 /nfs/dbraw/zinc/50/36/07/804503607.db2.gz LSJCVLWIHJRZAH-UHFFFAOYSA-N 1 1 270.380 3.089 20 30 CGEDMO C[N@H+](Cc1cc(F)c(C#N)c(F)c1)C[C@H]1CC1(C)C ZINC001140754961 804506389 /nfs/dbraw/zinc/50/63/89/804506389.db2.gz QIZBUUQFSHEBPP-LLVKDONJSA-N 1 1 264.319 3.314 20 30 CGEDMO CCCCCCCC[C@@H](CCC)[N@H+]1CCN[C@@H](CO)C1 ZINC001246794291 804517468 /nfs/dbraw/zinc/51/74/68/804517468.db2.gz DKTODUJHEVHVRC-IAGOWNOFSA-N 1 1 284.488 3.172 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(O)cc(Cl)c1 ZINC001140797638 804518291 /nfs/dbraw/zinc/51/82/91/804518291.db2.gz JTDAWEAIWQBORF-OJNYZHBWSA-N 1 1 276.767 3.312 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(O)cc(Cl)c1 ZINC001140797638 804518295 /nfs/dbraw/zinc/51/82/95/804518295.db2.gz JTDAWEAIWQBORF-OJNYZHBWSA-N 1 1 276.767 3.312 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(N(CC)CC)cc2O)C1 ZINC001140856160 804533562 /nfs/dbraw/zinc/53/35/62/804533562.db2.gz SAHHHICWZWYEIC-HNNXBMFYSA-N 1 1 286.419 3.084 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CC[C@@H](F)[C@H](N)C1 ZINC001246836069 804543851 /nfs/dbraw/zinc/54/38/51/804543851.db2.gz MLSLSQNDJKVYED-RBSFLKMASA-N 1 1 258.425 3.497 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1nccnc1C ZINC001140937352 804554699 /nfs/dbraw/zinc/55/46/99/804554699.db2.gz AIEAVWTXFMHMPR-UHFFFAOYSA-N 1 1 267.376 3.363 20 30 CGEDMO N#CC1CCC([N@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)CC1 ZINC001256964688 807019596 /nfs/dbraw/zinc/01/95/96/807019596.db2.gz ADHIFILYCRWMCW-RUJICJSRSA-N 1 1 278.293 3.149 20 30 CGEDMO C[C@H]1CN(C2CCC(C#N)CC2)CC[N@H+]1C1CCCCC1 ZINC001256971521 807020457 /nfs/dbraw/zinc/02/04/57/807020457.db2.gz TZDNSUNNSJCATG-GTPINHCMSA-N 1 1 289.467 3.408 20 30 CGEDMO C[C@H]1C[N@@H+](C2CCC(C#N)CC2)CCN1C1CCCCC1 ZINC001256971521 807020465 /nfs/dbraw/zinc/02/04/65/807020465.db2.gz TZDNSUNNSJCATG-GTPINHCMSA-N 1 1 289.467 3.408 20 30 CGEDMO C[C@H]1C[N@H+](C2CCC(C#N)CC2)CCN1C1CCCCC1 ZINC001256971521 807020470 /nfs/dbraw/zinc/02/04/70/807020470.db2.gz TZDNSUNNSJCATG-GTPINHCMSA-N 1 1 289.467 3.408 20 30 CGEDMO N#CC1CCC([N@H+]2CCC[C@@H](c3ccccn3)C2)CC1 ZINC001256969054 807021627 /nfs/dbraw/zinc/02/16/27/807021627.db2.gz YRMZSYRYNAOKSK-HWOWSKLDSA-N 1 1 269.392 3.343 20 30 CGEDMO C[C@H]1C[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)CCCN1 ZINC001246874350 804574408 /nfs/dbraw/zinc/57/44/08/804574408.db2.gz DCFKJALYCCHOOO-MNNVXMFVSA-N 1 1 297.446 3.268 20 30 CGEDMO C[C@H]1CN(C2CCC(c3ccc(C#N)cc3)CC2)CCC[NH2+]1 ZINC001246874350 804574412 /nfs/dbraw/zinc/57/44/12/804574412.db2.gz DCFKJALYCCHOOO-MNNVXMFVSA-N 1 1 297.446 3.268 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CCNC[C@@H]1c1ccc(F)cc1 ZINC001246887474 804580906 /nfs/dbraw/zinc/58/09/06/804580906.db2.gz OXDGSYAKIBSOKV-XJKSGUPXSA-N 1 1 262.372 3.127 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCNC[C@@H]1c1ccc(F)cc1 ZINC001246887474 804580910 /nfs/dbraw/zinc/58/09/10/804580910.db2.gz OXDGSYAKIBSOKV-XJKSGUPXSA-N 1 1 262.372 3.127 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141077954 804584927 /nfs/dbraw/zinc/58/49/27/804584927.db2.gz GHORWTJJXBJDIF-LJQANCHMSA-N 1 1 295.430 3.121 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141077954 804584931 /nfs/dbraw/zinc/58/49/31/804584931.db2.gz GHORWTJJXBJDIF-LJQANCHMSA-N 1 1 295.430 3.121 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1sc(N)c(C#N)c1Cl ZINC001141114929 804592021 /nfs/dbraw/zinc/59/20/21/804592021.db2.gz ZNEJEQQWIWJLRF-UHFFFAOYSA-N 1 1 269.801 3.253 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1sc(N)c(C#N)c1Cl ZINC001141114929 804592024 /nfs/dbraw/zinc/59/20/24/804592024.db2.gz ZNEJEQQWIWJLRF-UHFFFAOYSA-N 1 1 269.801 3.253 20 30 CGEDMO CCCCCCC[C@H](CCC)[N@@H+]1C[C@H]2CN[C@@H]2C1 ZINC001246920160 804600564 /nfs/dbraw/zinc/60/05/64/804600564.db2.gz OWCLGURYWPIYEC-OWCLPIDISA-N 1 1 252.446 3.419 20 30 CGEDMO CCCCCCC[C@H](CCC)[N@H+]1C[C@H]2CN[C@@H]2C1 ZINC001246920160 804600568 /nfs/dbraw/zinc/60/05/68/804600568.db2.gz OWCLGURYWPIYEC-OWCLPIDISA-N 1 1 252.446 3.419 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH3+])c1nc(-c2ccc(Cl)cc2Cl)no1 ZINC001247620690 804781093 /nfs/dbraw/zinc/78/10/93/804781093.db2.gz FFRLEKOCVVWBOC-FUXBKTLASA-N 1 1 296.157 3.403 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2ccc(Cl)c(OC)c2)no1 ZINC001247622032 804782942 /nfs/dbraw/zinc/78/29/42/804782942.db2.gz CXVUQKBTPMLUTH-LLVKDONJSA-N 1 1 293.754 3.365 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)CC[C@]1(C)O ZINC001142912114 804783480 /nfs/dbraw/zinc/78/34/80/804783480.db2.gz VIQMZKUIEWIIAJ-ACJLOTCBSA-N 1 1 297.402 3.022 20 30 CGEDMO CCOc1ccc(C[NH+]2CCC(CC#N)CC2)c(F)c1F ZINC001143276444 804830490 /nfs/dbraw/zinc/83/04/90/804830490.db2.gz ONNFQHJFAKILQV-UHFFFAOYSA-N 1 1 294.345 3.489 20 30 CGEDMO N#Cc1cccc(Cl)c1C[N@@H+]1C[C@@H]2CCCC(=O)[C@@H]2C1 ZINC001143734356 804888665 /nfs/dbraw/zinc/88/86/65/804888665.db2.gz LBJUYFBIYVINGH-GXTWGEPZSA-N 1 1 288.778 3.013 20 30 CGEDMO N#Cc1cccc(Cl)c1C[N@H+]1C[C@@H]2CCCC(=O)[C@@H]2C1 ZINC001143734356 804888674 /nfs/dbraw/zinc/88/86/74/804888674.db2.gz LBJUYFBIYVINGH-GXTWGEPZSA-N 1 1 288.778 3.013 20 30 CGEDMO N#Cc1ccc(C2CCC([N@@H+]3CCC[C@H]3CO)CC2)cc1 ZINC001257017740 807028951 /nfs/dbraw/zinc/02/89/51/807028951.db2.gz ZCUDLHXFGXOUPT-ABHNRTSZSA-N 1 1 284.403 3.041 20 30 CGEDMO C[N@@H+](CCc1ccccc1Cl)Cc1cncc(C#N)c1 ZINC001144079581 804933666 /nfs/dbraw/zinc/93/36/66/804933666.db2.gz VDCNJKHBAGGEAC-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cncc(C#N)c1 ZINC001144085198 804935682 /nfs/dbraw/zinc/93/56/82/804935682.db2.gz WTKZXDCILJJONN-UHFFFAOYSA-N 1 1 294.402 3.041 20 30 CGEDMO C#CC[N@@H+](C)Cc1cccc(-c2ccc(Cl)cc2)n1 ZINC001248516177 804939591 /nfs/dbraw/zinc/93/95/91/804939591.db2.gz TYRDCFAXJJVIIY-UHFFFAOYSA-N 1 1 270.763 3.467 20 30 CGEDMO C#CC[N@H+](C)Cc1cccc(-c2ccc(Cl)cc2)n1 ZINC001248516177 804939597 /nfs/dbraw/zinc/93/95/97/804939597.db2.gz TYRDCFAXJJVIIY-UHFFFAOYSA-N 1 1 270.763 3.467 20 30 CGEDMO Cc1noc2ccc(C[N@H+]3CCC[C@@H](C#N)CC3)cc12 ZINC001248706590 804971437 /nfs/dbraw/zinc/97/14/37/804971437.db2.gz ZRABNINNAOZVSA-CYBMUJFWSA-N 1 1 269.348 3.262 20 30 CGEDMO Cc1nc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)sc1C ZINC001144378632 804978990 /nfs/dbraw/zinc/97/89/90/804978990.db2.gz VAXGQZDJNORBQA-XYYAHUGASA-N 1 1 261.394 3.027 20 30 CGEDMO Cc1nc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)sc1C ZINC001144378632 804978995 /nfs/dbraw/zinc/97/89/95/804978995.db2.gz VAXGQZDJNORBQA-XYYAHUGASA-N 1 1 261.394 3.027 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1C[C@H]2CCC[C@@]2(COC)C1 ZINC001248750292 804983976 /nfs/dbraw/zinc/98/39/76/804983976.db2.gz DPEAFYURXMIXJT-MOPGFXCFSA-N 1 1 298.430 3.369 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1c1cnccn1 ZINC001248751745 804984832 /nfs/dbraw/zinc/98/48/32/804984832.db2.gz IXNWNZQGXJERTO-SFHVURJKSA-N 1 1 292.386 3.248 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CC[C@H](c3ccncc3)C2)cc1 ZINC001144573982 805008751 /nfs/dbraw/zinc/00/87/51/805008751.db2.gz WXHRBSGYOCGJAO-SFHVURJKSA-N 1 1 262.356 3.052 20 30 CGEDMO N#CCCN(Cc1[nH+]cn2ccccc12)Cc1ccccc1 ZINC001144610949 805013717 /nfs/dbraw/zinc/01/37/17/805013717.db2.gz GLNFTJPKNBDWIS-UHFFFAOYSA-N 1 1 290.370 3.250 20 30 CGEDMO C[C@@H]1C[C@@H]([N@@H+](CCC#N)C2CCCC2)C[C@H](C)O1 ZINC001257095182 807049431 /nfs/dbraw/zinc/04/94/31/807049431.db2.gz UFOJQNGVXADOQJ-AGGWBTHJSA-N 1 1 250.386 3.101 20 30 CGEDMO C[C@@]1(F)CCC[N@H+](Cc2cc3ccc(C#N)cc3[nH]2)C1 ZINC001249427018 805146577 /nfs/dbraw/zinc/14/65/77/805146577.db2.gz NWQGIMIYQKZGAF-MRXNPFEDSA-N 1 1 271.339 3.364 20 30 CGEDMO C[C@@]1(F)CCC[N@@H+](Cc2cc3ccc(C#N)cc3[nH]2)C1 ZINC001249427018 805146581 /nfs/dbraw/zinc/14/65/81/805146581.db2.gz NWQGIMIYQKZGAF-MRXNPFEDSA-N 1 1 271.339 3.364 20 30 CGEDMO N#Cc1ccc(Nc2cc[nH+]cc2C(F)(F)F)s1 ZINC001249585749 805182226 /nfs/dbraw/zinc/18/22/26/805182226.db2.gz CFFNENCSYOHZPJ-UHFFFAOYSA-N 1 1 269.251 3.199 20 30 CGEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)C[C@H](CC)C(C)C)C2)C1 ZINC001148635313 805202671 /nfs/dbraw/zinc/20/26/71/805202671.db2.gz FJUUFELEPLNJBC-INIZCTEOSA-N 1 1 292.467 3.169 20 30 CGEDMO CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)CC ZINC001151533194 805294657 /nfs/dbraw/zinc/29/46/57/805294657.db2.gz CTOCQZXGQVINPW-CQSZACIVSA-N 1 1 256.434 3.193 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)CC1CCCCC1 ZINC001151748772 805310756 /nfs/dbraw/zinc/31/07/56/805310756.db2.gz PNDMGWWTXDGCDJ-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)CCC(C)C ZINC001151805701 805314165 /nfs/dbraw/zinc/31/41/65/805314165.db2.gz DLULNZXHURWVJP-OAHLLOKOSA-N 1 1 268.445 3.215 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)/C=C(\C)C1CC1 ZINC001152135237 805335476 /nfs/dbraw/zinc/33/54/76/805335476.db2.gz XKDJJRKKJSAJRE-ATGUSINASA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)/C=C(/C)C1CC1 ZINC001152135027 805335828 /nfs/dbraw/zinc/33/58/28/805335828.db2.gz QYGSSGOIMBJQQV-IKESIWSLSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H](C)[N@@H+](CC)CC1CCCC1 ZINC001153626005 805408627 /nfs/dbraw/zinc/40/86/27/805408627.db2.gz UJMAUSLROMKKCL-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC12CC2 ZINC001154009145 805426707 /nfs/dbraw/zinc/42/67/07/805426707.db2.gz KZKLVIWRVOTWQH-ZIAGYGMSSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC12CC2 ZINC001154009145 805426713 /nfs/dbraw/zinc/42/67/13/805426713.db2.gz KZKLVIWRVOTWQH-ZIAGYGMSSA-N 1 1 298.858 3.146 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)CNC(=O)C[C@H](CC)CCCC ZINC001154368610 805452779 /nfs/dbraw/zinc/45/27/79/805452779.db2.gz XZNXZPICXQKGTL-HZPDHXFCSA-N 1 1 280.456 3.053 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)CC(F)F ZINC001154364698 805452899 /nfs/dbraw/zinc/45/28/99/805452899.db2.gz ZVCVNLSJGMORBZ-QWHCGFSZSA-N 1 1 290.398 3.071 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1cc(F)ccc1C ZINC001154519617 805461471 /nfs/dbraw/zinc/46/14/71/805461471.db2.gz UKVSMSRBVJGQRE-CQSZACIVSA-N 1 1 292.398 3.150 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)CC1CC(C)C1 ZINC001154605565 805466453 /nfs/dbraw/zinc/46/64/53/805466453.db2.gz LGKOKALLHQKWRB-SHARSMKWSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)c1cccs1 ZINC001154625629 805468763 /nfs/dbraw/zinc/46/87/63/805468763.db2.gz CVIVOAKNGAJQEF-CYBMUJFWSA-N 1 1 294.464 3.038 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)CC(C)C ZINC001154756863 805482609 /nfs/dbraw/zinc/48/26/09/805482609.db2.gz IXLIMTNDYGPDHP-CABCVRRESA-N 1 1 268.445 3.071 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1occc1C(C)C ZINC001154836475 805495733 /nfs/dbraw/zinc/49/57/33/805495733.db2.gz AFYHPUGTPMYKTA-CQSZACIVSA-N 1 1 292.423 3.419 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H](C)[N@H+](CC)CC(=C)Cl ZINC001155067306 805532233 /nfs/dbraw/zinc/53/22/33/805532233.db2.gz VXMXPAXCSIOICH-UKRRQHHQSA-N 1 1 286.847 3.168 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H](C)[N@@H+](CC)CC(=C)Cl ZINC001155067306 805532239 /nfs/dbraw/zinc/53/22/39/805532239.db2.gz VXMXPAXCSIOICH-UKRRQHHQSA-N 1 1 286.847 3.168 20 30 CGEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](C(CC)CC)C2 ZINC001257297739 807092156 /nfs/dbraw/zinc/09/21/56/807092156.db2.gz AZNGJDMMAVHBRT-JKSUJKDBSA-N 1 1 267.413 3.001 20 30 CGEDMO Cc1ccc(CC#N)c(N2CCC[C@H]2c2nccs2)[nH+]1 ZINC001167042118 807135149 /nfs/dbraw/zinc/13/51/49/807135149.db2.gz JOEWASBSEDWOHL-ZDUSSCGKSA-N 1 1 284.388 3.254 20 30 CGEDMO Cc1cc(NCCc2ccc(C#N)cc2)[nH+]c2cc[nH]c21 ZINC001167682630 807225981 /nfs/dbraw/zinc/22/59/81/807225981.db2.gz KUXFBBALBIQLCT-UHFFFAOYSA-N 1 1 276.343 3.398 20 30 CGEDMO COc1cc2[nH+]ccn2cc1N[C@@H](C)c1cccc(C#N)c1 ZINC001167711095 807231910 /nfs/dbraw/zinc/23/19/10/807231910.db2.gz WVYVRUIFPUCZIB-LBPRGKRZSA-N 1 1 292.342 3.388 20 30 CGEDMO CC(C)OC1CCC([N@H+]2CCC[C@@H](C#N)CC2)CC1 ZINC001257882942 807236618 /nfs/dbraw/zinc/23/66/18/807236618.db2.gz IQWXAOZQOBBUPU-QQFBHYJXSA-N 1 1 264.413 3.348 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CC[C@]4(CCOC4)C3)C[C@H](C1)C2 ZINC001257891314 807240834 /nfs/dbraw/zinc/24/08/34/807240834.db2.gz GYSNDWRKNFPMAC-WFVVYAPDSA-N 1 1 261.409 3.234 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CC[C@@]4(CCOC4)C3)C[C@H](C1)C2 ZINC001257891313 807241372 /nfs/dbraw/zinc/24/13/72/807241372.db2.gz GYSNDWRKNFPMAC-FCLJQHQZSA-N 1 1 261.409 3.234 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CC[C@@H](C)[C@@](C)(O)C3)C[C@H](C1)C2 ZINC001257891763 807241533 /nfs/dbraw/zinc/24/15/33/807241533.db2.gz OIFJPNGFHGOAAT-BJCAYOAGSA-N 1 1 263.425 3.214 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CC[C@H](Oc4ncccn4)C3)C[C@H](C1)C2 ZINC001257894164 807243921 /nfs/dbraw/zinc/24/39/21/807243921.db2.gz MBZLFGRRWAAYOO-WFVVYAPDSA-N 1 1 299.418 3.065 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+](CC)CC(C)(C)O)C[C@H](C1)C2 ZINC001257895624 807245442 /nfs/dbraw/zinc/24/54/42/807245442.db2.gz WGMKUHXLXYEVHY-YIONKMFJSA-N 1 1 251.414 3.214 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCC[C@](C)(C(=O)OC)C3)C[C@H](C1)C2 ZINC001257895563 807245526 /nfs/dbraw/zinc/24/55/26/807245526.db2.gz TYWPPKLBOZFNAM-ONYGOOLBSA-N 1 1 291.435 3.396 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCC[C@@H](CCO)C3)C[C@H](C1)C2 ZINC001257895578 807245700 /nfs/dbraw/zinc/24/57/00/807245700.db2.gz UONSOXUJIQKIEQ-PMRDEQMMSA-N 1 1 263.425 3.216 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1CCCC[C@H]1C(N)=O ZINC001258047081 807275691 /nfs/dbraw/zinc/27/56/91/807275691.db2.gz GTNGLKOWWLUPOA-KGLIPLIRSA-N 1 1 254.418 3.075 20 30 CGEDMO CCCCCCCCC[C@H](C)[N@H+]1CCOC[C@@H](O)C1 ZINC001258228231 807376997 /nfs/dbraw/zinc/37/69/97/807376997.db2.gz FDBHMJCNWAWMSJ-HOTGVXAUSA-N 1 1 271.445 3.209 20 30 CGEDMO C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@H]2CCCC(C)(C)C2)C1 ZINC001258298131 807403534 /nfs/dbraw/zinc/40/35/34/807403534.db2.gz LCNRDTCOSQMHQH-CABCVRRESA-N 1 1 294.439 3.332 20 30 CGEDMO CC(C)[C@@H]1CCCCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC001168581618 807450562 /nfs/dbraw/zinc/45/05/62/807450562.db2.gz WJBPKFLEAGZWBD-CVEARBPZSA-N 1 1 278.440 3.332 20 30 CGEDMO CCC[N@H+](CCC#N)[C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168864156 807532492 /nfs/dbraw/zinc/53/24/92/807532492.db2.gz MLIVIBVANOQNEQ-KGLIPLIRSA-N 1 1 295.427 3.010 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168864156 807532497 /nfs/dbraw/zinc/53/24/97/807532497.db2.gz MLIVIBVANOQNEQ-KGLIPLIRSA-N 1 1 295.427 3.010 20 30 CGEDMO C=CC[C@H]([NH2+][C@@H](CCC)CCCCC)C(=O)OC ZINC001258664409 807532675 /nfs/dbraw/zinc/53/26/75/807532675.db2.gz JRVNPUBNFRKRTG-KBPBESRZSA-N 1 1 255.402 3.443 20 30 CGEDMO C#CC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H]1CCc2ccccc21 ZINC001169037797 807557449 /nfs/dbraw/zinc/55/74/49/807557449.db2.gz UHOCJAIJXQEIEF-QGPMSJSTSA-N 1 1 298.386 3.055 20 30 CGEDMO CCCCCCC[C@H](CC(C)C)[N@H+]1C[C@@H](O)[C@H](CO)C1 ZINC001258714190 807565274 /nfs/dbraw/zinc/56/52/74/807565274.db2.gz KKSWIGWAKPWCMW-GVDBMIGSSA-N 1 1 285.472 3.047 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001258725843 807573906 /nfs/dbraw/zinc/57/39/06/807573906.db2.gz BQOBBVSYZOUPOP-AWEZNQCLSA-N 1 1 282.428 3.284 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](OC(=O)OC(C)(C)C)C1 ZINC001258726521 807574948 /nfs/dbraw/zinc/57/49/48/807574948.db2.gz UAVFRSVYIXUBNV-OLZOCXBDSA-N 1 1 269.385 3.367 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OCC ZINC001258733040 807579326 /nfs/dbraw/zinc/57/93/26/807579326.db2.gz UKIACTQWQOUKEZ-AJNGGQMLSA-N 1 1 265.397 3.005 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2CC[C@H]1CN2C(=O)OC(C)(C)C ZINC001258733712 807579430 /nfs/dbraw/zinc/57/94/30/807579430.db2.gz MDORXFYZUIOKQO-KKUMJFAQSA-N 1 1 294.439 3.425 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)Cc1cccc(C(=O)OC)c1 ZINC001258732716 807579488 /nfs/dbraw/zinc/57/94/88/807579488.db2.gz PGXDZVVNJDODLH-ZDUSSCGKSA-N 1 1 261.365 3.260 20 30 CGEDMO CC[C@H](C[C@@H](C)CC)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001258792961 807615596 /nfs/dbraw/zinc/61/55/96/807615596.db2.gz ZLOOCKKYCLKAPY-IACUBPJLSA-N 1 1 267.438 3.475 20 30 CGEDMO C#C[C@](C)(CC)Nc1nc(N2CCCC(C)(C)C2)cc[nH+]1 ZINC001169693625 807689777 /nfs/dbraw/zinc/68/97/77/807689777.db2.gz XFJHOFDHFFFOPP-QGZVFWFLSA-N 1 1 286.423 3.317 20 30 CGEDMO C=CC[N@H+]([C@H]1CCCN(C(=O)OCC)CC1)C(C)(C)C ZINC001169709204 807694033 /nfs/dbraw/zinc/69/40/33/807694033.db2.gz HIWUBHPEYGKPLL-AWEZNQCLSA-N 1 1 282.428 3.284 20 30 CGEDMO C=C[C@@H](CO)Nc1[nH+]ccc2ccn(Cc3ccccc3)c21 ZINC001169780661 807707607 /nfs/dbraw/zinc/70/76/07/807707607.db2.gz FYFXRVUGPCTJGK-INIZCTEOSA-N 1 1 293.370 3.043 20 30 CGEDMO C=CC(NCc1nc(-c2ccccc2)cs1)=[NH+]COC ZINC001170242877 807801319 /nfs/dbraw/zinc/80/13/19/807801319.db2.gz KLCFJHYMBLNAES-UHFFFAOYSA-N 1 1 287.388 3.088 20 30 CGEDMO CC(C)c1cc([C@H]2CCCN(CC3(C#N)CC3)C2)[nH]n1 ZINC001262020532 807808177 /nfs/dbraw/zinc/80/81/77/807808177.db2.gz DJRNBAGUVJWIMZ-ZDUSSCGKSA-N 1 1 272.396 3.016 20 30 CGEDMO CC(C)c1cc([C@H]2CCC[N@H+](CC3(C#N)CC3)C2)[nH]n1 ZINC001262020532 807808185 /nfs/dbraw/zinc/80/81/85/807808185.db2.gz DJRNBAGUVJWIMZ-ZDUSSCGKSA-N 1 1 272.396 3.016 20 30 CGEDMO CC(C)c1cc([C@H]2CCC[N@@H+](CC3(C#N)CC3)C2)[nH]n1 ZINC001262020532 807808194 /nfs/dbraw/zinc/80/81/94/807808194.db2.gz DJRNBAGUVJWIMZ-ZDUSSCGKSA-N 1 1 272.396 3.016 20 30 CGEDMO C[C@H]1C[N@H+](C2CCC(C#N)(c3ccccc3)CC2)CC[C@@H]1O ZINC001170379003 807832575 /nfs/dbraw/zinc/83/25/75/807832575.db2.gz ORAIFKUEIUCLKO-BARLLCKDSA-N 1 1 298.430 3.093 20 30 CGEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCC[C@H](CO)C2)CC1 ZINC001170377324 807832637 /nfs/dbraw/zinc/83/26/37/807832637.db2.gz ZXXFUALXEFZFHR-IVMQYODDSA-N 1 1 298.430 3.095 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170758711 807899967 /nfs/dbraw/zinc/89/99/67/807899967.db2.gz VLTXVOLPLAAIGO-MUJYYYPQSA-N 1 1 254.377 3.425 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCc2ccc(Br)cc2C1 ZINC001170886636 807925686 /nfs/dbraw/zinc/92/56/86/807925686.db2.gz RHQFIHSUZBSSDH-CQSZACIVSA-N 1 1 280.209 3.424 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001171210867 808011403 /nfs/dbraw/zinc/01/14/03/808011403.db2.gz XBUJVYUMSSUPJN-GLQYFDAESA-N 1 1 276.330 3.076 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171221777 808012018 /nfs/dbraw/zinc/01/20/18/808012018.db2.gz UPZOCGFJHWFMDW-AWEZNQCLSA-N 1 1 255.365 3.115 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001171221664 808012415 /nfs/dbraw/zinc/01/24/15/808012415.db2.gz RPKMAOGDZKIGNQ-SMDDNHRTSA-N 1 1 282.309 3.373 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+]([C@@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001171380919 808040665 /nfs/dbraw/zinc/04/06/65/808040665.db2.gz POTOUJBEJXDEIY-SWLSCSKDSA-N 1 1 290.357 3.448 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001171387437 808042318 /nfs/dbraw/zinc/04/23/18/808042318.db2.gz HIVCMGKRQBMVGE-SWLSCSKDSA-N 1 1 275.342 3.167 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)CCCC2CCCC2)[C@H]1C ZINC001264176948 808043385 /nfs/dbraw/zinc/04/33/85/808043385.db2.gz UQNKOMQNHIMQAS-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[N@H+](CC[C@@H](C)F)CC(C)(C)C1 ZINC001264193063 808045766 /nfs/dbraw/zinc/04/57/66/808045766.db2.gz KHMSGLAPEWXSKN-HUUCEWRRSA-N 1 1 298.446 3.308 20 30 CGEDMO N#C[C@@H]1CCC[N@H+]([C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171438457 808057713 /nfs/dbraw/zinc/05/77/13/808057713.db2.gz SGFCGSPJIUFBDR-UKRRQHHQSA-N 1 1 272.367 3.309 20 30 CGEDMO C=CC(C)(C)C(=O)N(C)C[C@@H]1CC[N@H+]1CCC1CCCC1 ZINC001264369069 808061286 /nfs/dbraw/zinc/06/12/86/808061286.db2.gz PJHLHRRFQZHDLD-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2c(C)cc(C#N)cc2C)C1 ZINC001171491654 808076202 /nfs/dbraw/zinc/07/62/02/808076202.db2.gz WZEJIDMSSCNTGG-INIZCTEOSA-N 1 1 266.388 3.410 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)CC)CC(C)(C)C1 ZINC001264752353 808091287 /nfs/dbraw/zinc/09/12/87/808091287.db2.gz ZDRVSAMPNWUNQQ-JKSUJKDBSA-N 1 1 292.467 3.053 20 30 CGEDMO C#C[C@@](C)(CC)NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171623457 808106851 /nfs/dbraw/zinc/10/68/51/808106851.db2.gz ZVBDVNBALBHSJX-INIZCTEOSA-N 1 1 250.430 3.029 20 30 CGEDMO C=CCC[N@@H+](CC)CCCNC(=O)[C@H]1CCC[C@H](C)C1 ZINC001265131270 808112881 /nfs/dbraw/zinc/11/28/81/808112881.db2.gz TYCNARJHHZIARO-HOTGVXAUSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CCC[N@@H+](C/C=C/Cl)C2)CCC1 ZINC001265224921 808122431 /nfs/dbraw/zinc/12/24/31/808122431.db2.gz NJSCDMQPKMADOA-SEIPJRMCSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CCC[N@H+](C/C=C/Cl)C2)CCC1 ZINC001265224921 808122435 /nfs/dbraw/zinc/12/24/35/808122435.db2.gz NJSCDMQPKMADOA-SEIPJRMCSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccoc2Cl)C1 ZINC001265281074 808125607 /nfs/dbraw/zinc/12/56/07/808125607.db2.gz HZJYCGVDRWWPLZ-NWDGAFQWSA-N 1 1 296.798 3.092 20 30 CGEDMO C[C@@H]1C[C@H](NC2(C#N)CCCCC2)C[N@H+]1Cc1ccccc1 ZINC001171727514 808127351 /nfs/dbraw/zinc/12/73/51/808127351.db2.gz DBJQMZHPIQJXPV-AEFFLSMTSA-N 1 1 297.446 3.465 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CCCC(C)(C)C)C2)C1 ZINC001265303854 808129288 /nfs/dbraw/zinc/12/92/88/808129288.db2.gz QOAZPIRSKACWCQ-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C[C@@H]1C[C@H](N2CCCC[C@H]2C#N)C[N@H+]1Cc1ccccc1 ZINC001171762866 808133109 /nfs/dbraw/zinc/13/31/09/808133109.db2.gz MMMOJPPZRAAPKY-NJAFHUGGSA-N 1 1 283.419 3.027 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1Cc2cccc(F)c2C1 ZINC001171801700 808143443 /nfs/dbraw/zinc/14/34/43/808143443.db2.gz QWGLGGYBKJVWMO-INIZCTEOSA-N 1 1 280.346 3.297 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@H](C(=O)OC)[C@H]2CCCC[C@H]21 ZINC001171810325 808145644 /nfs/dbraw/zinc/14/56/44/808145644.db2.gz PWJRVGBLVAMKJT-OWCLPIDISA-N 1 1 279.424 3.396 20 30 CGEDMO CCCCCCCC[N@@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC001171936893 808156126 /nfs/dbraw/zinc/15/61/26/808156126.db2.gz HQLGPTGXOAKNHK-OWCLPIDISA-N 1 1 253.430 3.440 20 30 CGEDMO CC1(C)C[C@H](NC2(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171962167 808159933 /nfs/dbraw/zinc/15/99/33/808159933.db2.gz BRQLXOHAHHUYHZ-MRXNPFEDSA-N 1 1 283.419 3.075 20 30 CGEDMO CC1(C#N)CN([C@@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC001171976843 808163372 /nfs/dbraw/zinc/16/33/72/808163372.db2.gz NPDUWQGZFAPWJJ-QGZVFWFLSA-N 1 1 297.446 3.275 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC1(C)C ZINC001265652404 808164506 /nfs/dbraw/zinc/16/45/06/808164506.db2.gz VIRYDGRYKNYUOY-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H]1CCCC[N@@H+]1CC1CC(C)C1 ZINC001265647368 808164533 /nfs/dbraw/zinc/16/45/33/808164533.db2.gz NYCSWCSLCZRGBO-OFLPRAFFSA-N 1 1 292.467 3.360 20 30 CGEDMO C[C@@H](CC#N)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172067694 808169988 /nfs/dbraw/zinc/16/99/88/808169988.db2.gz ROSYBXHUHKLJQH-DSLXNQLJSA-N 1 1 297.446 3.464 20 30 CGEDMO CC#CCCCC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@@H+]1CC ZINC001265696887 808171029 /nfs/dbraw/zinc/17/10/29/808171029.db2.gz LKQXANACQALERH-IAGOWNOFSA-N 1 1 290.451 3.045 20 30 CGEDMO C=CCCCC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C/C=C\Cl)C1 ZINC001265705962 808172386 /nfs/dbraw/zinc/17/23/86/808172386.db2.gz PDRMTZRAFSDBOG-IKQZUGGXSA-N 1 1 298.858 3.312 20 30 CGEDMO CN1[C@@H]2CCC[C@H]1C[C@H]([N@H+](C)Cc1cccc(C#N)c1)C2 ZINC001172130391 808186997 /nfs/dbraw/zinc/18/69/97/808186997.db2.gz OOZWEHBGJSKESX-BCDXTJNWSA-N 1 1 283.419 3.005 20 30 CGEDMO CN1[C@@H]2CCC[C@H]1C[C@H]([N@@H+](C)Cc1cccc(C#N)c1)C2 ZINC001172130391 808187000 /nfs/dbraw/zinc/18/70/00/808187000.db2.gz OOZWEHBGJSKESX-BCDXTJNWSA-N 1 1 283.419 3.005 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)[C@]1(C)C=CCC1 ZINC001265904262 808192359 /nfs/dbraw/zinc/19/23/59/808192359.db2.gz CYYFALWWQFKGMT-NVXWUHKLSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172230639 808205093 /nfs/dbraw/zinc/20/50/93/808205093.db2.gz FMHJIYDJWLKZJP-ALOPSCKCSA-N 1 1 257.377 3.385 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)C2CCCCC2)C1 ZINC001266090969 808209138 /nfs/dbraw/zinc/20/91/38/808209138.db2.gz WBBDRJQSBMCFOJ-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@@H+](CC)CCCNC(=O)c1sccc1C1CC1 ZINC001266106371 808212978 /nfs/dbraw/zinc/21/29/78/808212978.db2.gz OXPORZKKTRCGIW-UHFFFAOYSA-N 1 1 292.448 3.253 20 30 CGEDMO C=CCC[N@@H+](CCCNC(=O)C1CC2(CCC2)C1)C1CC1 ZINC001266153565 808220227 /nfs/dbraw/zinc/22/02/27/808220227.db2.gz MVUMWICSDXQXQP-UHFFFAOYSA-N 1 1 290.451 3.114 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+](C)CC(=O)c1ccccc1 ZINC001172310365 808222621 /nfs/dbraw/zinc/22/26/21/808222621.db2.gz FHIXAYQQJVBZLY-HNNXBMFYSA-N 1 1 292.382 3.304 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)CC(=O)c1ccccc1 ZINC001172310365 808222625 /nfs/dbraw/zinc/22/26/25/808222625.db2.gz FHIXAYQQJVBZLY-HNNXBMFYSA-N 1 1 292.382 3.304 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1ccc(C)s1 ZINC001266198321 808226540 /nfs/dbraw/zinc/22/65/40/808226540.db2.gz DPOZVMJESDZANI-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CC1(CC(=O)NCC[N@@H+](C)C/C=C/Cl)CCCCC1 ZINC001266337740 808245061 /nfs/dbraw/zinc/24/50/61/808245061.db2.gz ODNVHOKUUGJUSJ-JXMROGBWSA-N 1 1 298.858 3.314 20 30 CGEDMO C=CC1(CC(=O)NCC[N@H+](C)C/C=C/Cl)CCCCC1 ZINC001266337740 808245065 /nfs/dbraw/zinc/24/50/65/808245065.db2.gz ODNVHOKUUGJUSJ-JXMROGBWSA-N 1 1 298.858 3.314 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CCOC[C@H]1COC ZINC001172362372 808257087 /nfs/dbraw/zinc/25/70/87/808257087.db2.gz WQOXOUDZMQGHAC-JKSUJKDBSA-N 1 1 271.445 3.473 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H]1CNC(=O)C(C)(F)F ZINC001266443747 808266257 /nfs/dbraw/zinc/26/62/57/808266257.db2.gz RZTQPDQJFWYVOA-CYBMUJFWSA-N 1 1 290.398 3.193 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCC[N@@H+]1[C@H](C)c1ccccc1 ZINC001266450878 808267251 /nfs/dbraw/zinc/26/72/51/808267251.db2.gz WRJNXTQKPFDKGI-NVXWUHKLSA-N 1 1 286.419 3.294 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CCC1 ZINC001266453575 808269196 /nfs/dbraw/zinc/26/91/96/808269196.db2.gz HYKQTAKKBITLOF-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)/C(C)=C/C ZINC001266480938 808273667 /nfs/dbraw/zinc/27/36/67/808273667.db2.gz BPEGWTSBDJJUHE-LMKWDOLGSA-N 1 1 290.451 3.374 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)C[C@H](C)CC(C)C ZINC001266488631 808275755 /nfs/dbraw/zinc/27/57/55/808275755.db2.gz MSQHZADNIADDJT-CVEARBPZSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)CCC ZINC001266496658 808277336 /nfs/dbraw/zinc/27/73/36/808277336.db2.gz VDINMZXLVOBHSU-YESZJQIVSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](CNC(=O)C2(CC)CCC2)C1 ZINC001266525569 808283004 /nfs/dbraw/zinc/28/30/04/808283004.db2.gz JRXMZTXOVIHCFX-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](CNC(=O)C[C@H]2CC=CCC2)C1 ZINC001266757785 808311579 /nfs/dbraw/zinc/31/15/79/808311579.db2.gz HWHWVCWUDISGLS-DLBZAZTESA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(CC)CC ZINC001266833052 808321285 /nfs/dbraw/zinc/32/12/85/808321285.db2.gz PBQAQHYBCMJMNN-MRXNPFEDSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)/C=C\C(C)(C)C ZINC001266837868 808321593 /nfs/dbraw/zinc/32/15/93/808321593.db2.gz XUANFDRKHDOKKR-WOLCWHLNSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)/C=C/C(C)(C)C ZINC001266836609 808321834 /nfs/dbraw/zinc/32/18/34/808321834.db2.gz BNQYXZOUUFQUFQ-MYSGNRETSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)/C=C/C(C)(C)C ZINC001266836609 808321841 /nfs/dbraw/zinc/32/18/41/808321841.db2.gz BNQYXZOUUFQUFQ-MYSGNRETSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@@H]1CCCC[N@H+]1CC(=C)C ZINC001266853539 808324417 /nfs/dbraw/zinc/32/44/17/808324417.db2.gz NPXDNUCWUZWSLK-CVEARBPZSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H]2CCCC[N@@H+]2C[C@H](C)CC)C1 ZINC001266856427 808324773 /nfs/dbraw/zinc/32/47/73/808324773.db2.gz QUEYXGSORBVSCI-ZBFHGGJFSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)C(C)C)C1 ZINC001266891695 808331848 /nfs/dbraw/zinc/33/18/48/808331848.db2.gz QOOURLUYEWNDJG-HOTGVXAUSA-N 1 1 294.483 3.461 20 30 CGEDMO C[C@H](CCCC#N)[NH2+]C1CCN(CC(C)(C)C)CC1 ZINC001172488327 808348779 /nfs/dbraw/zinc/34/87/79/808348779.db2.gz LQMSIXUWXRXNER-CQSZACIVSA-N 1 1 265.445 3.169 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001172494052 808353372 /nfs/dbraw/zinc/35/33/72/808353372.db2.gz QFEAWUFCDZOYRM-ZIAGYGMSSA-N 1 1 295.427 3.010 20 30 CGEDMO CCCCCCCC[C@@H](CC)[NH2+]CCN1CCN(C)CC1 ZINC001172503560 808358933 /nfs/dbraw/zinc/35/89/33/808358933.db2.gz GFPOXBZXRLMCJW-GOSISDBHSA-N 1 1 297.531 3.353 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[C@H]([N@@H+](C)CC=C(C)C)C1 ZINC001267111207 808360432 /nfs/dbraw/zinc/36/04/32/808360432.db2.gz NAUXSGDDHWUQDB-SJORKVTESA-N 1 1 292.467 3.478 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCCC[C@H]1C(=O)OC(C)(C)C ZINC001172503987 808360466 /nfs/dbraw/zinc/36/04/66/808360466.db2.gz DGAMWXTVTGJFKM-KGLIPLIRSA-N 1 1 280.412 3.265 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)CCCCC(C)C)C1 ZINC001267112600 808361897 /nfs/dbraw/zinc/36/18/97/808361897.db2.gz SWWNOUPSWFBJPZ-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO CCCCCCC[C@H](CCC)[N@H+]1CCOC[C@@H](O)C1 ZINC001172509025 808365870 /nfs/dbraw/zinc/36/58/70/808365870.db2.gz RLDYJWVKQYWOGW-HOTGVXAUSA-N 1 1 271.445 3.209 20 30 CGEDMO C=C/C(C)=C/CC(=O)NCCC[C@@H]1CCC[N@@H+]1CC(=C)C ZINC001267173066 808373682 /nfs/dbraw/zinc/37/36/82/808373682.db2.gz FEBAIQIDXQXXTN-BRVCPTFNSA-N 1 1 290.451 3.446 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)C[C@H]1CC=CCC1 ZINC001267171918 808373821 /nfs/dbraw/zinc/37/38/21/808373821.db2.gz QVJCCFFGPKCUDT-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)Cc1cccs1)C(C)C ZINC001267228159 808388437 /nfs/dbraw/zinc/38/84/37/808388437.db2.gz JQTIRNPGFLSETH-UHFFFAOYSA-N 1 1 294.464 3.083 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001267280180 808402964 /nfs/dbraw/zinc/40/29/64/808402964.db2.gz BAEHOWMZFYUUGP-ULQDDVLXSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](CCCC)C(C)C ZINC001267282036 808404872 /nfs/dbraw/zinc/40/48/72/808404872.db2.gz AIYNYUVHRRRJTN-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001267286848 808405513 /nfs/dbraw/zinc/40/55/13/808405513.db2.gz APQZJIXAEOGARN-QGZVFWFLSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CC[N@H+]([C@H]1CCC[C@H](C(=O)OC)C1)C(C)(C)C ZINC001172638826 808406562 /nfs/dbraw/zinc/40/65/62/808406562.db2.gz YXPJZJNNVFERIG-STQMWFEESA-N 1 1 253.386 3.005 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)c1ccc(Cl)cc1 ZINC001267320033 808413676 /nfs/dbraw/zinc/41/36/76/808413676.db2.gz YCLWVOQAQSFVLP-UHFFFAOYSA-N 1 1 294.826 3.358 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001267423915 808425286 /nfs/dbraw/zinc/42/52/86/808425286.db2.gz XFBLJBSADWOFBO-BHYGNILZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ccc(C)s2)C1 ZINC001267443093 808426720 /nfs/dbraw/zinc/42/67/20/808426720.db2.gz JYUVXPXJCCQVIJ-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CC2(C)C)C1 ZINC001267454733 808427578 /nfs/dbraw/zinc/42/75/78/808427578.db2.gz QKWDLONRMZRMOL-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H](CC)CCCC)C1 ZINC001267449811 808427611 /nfs/dbraw/zinc/42/76/11/808427611.db2.gz GCRVOOHGNBFSSF-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H](CC)CCCC)C1 ZINC001267449811 808427614 /nfs/dbraw/zinc/42/76/14/808427614.db2.gz GCRVOOHGNBFSSF-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ccc(C)cc2)C1 ZINC001267487061 808432120 /nfs/dbraw/zinc/43/21/20/808432120.db2.gz ABRWABHNHRQOGA-QGZVFWFLSA-N 1 1 286.419 3.108 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)c2ccccc2C)C1 ZINC001267502349 808435608 /nfs/dbraw/zinc/43/56/08/808435608.db2.gz RTERVYRSLURPBF-MRXNPFEDSA-N 1 1 286.419 3.013 20 30 CGEDMO C=CC(C)(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C\Cl ZINC001267530741 808440540 /nfs/dbraw/zinc/44/05/40/808440540.db2.gz YWYSTDGDZLMHLU-SJOWAIJRSA-N 1 1 296.842 3.016 20 30 CGEDMO C=CC(C)(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C\Cl ZINC001267530741 808440545 /nfs/dbraw/zinc/44/05/45/808440545.db2.gz YWYSTDGDZLMHLU-SJOWAIJRSA-N 1 1 296.842 3.016 20 30 CGEDMO C=C(C)CCC(=O)NCC[C@@H]1CC[N@H+](CCC(=C)C)C1 ZINC001267535871 808440567 /nfs/dbraw/zinc/44/05/67/808440567.db2.gz HJZPSPKYVHGONH-MRXNPFEDSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)C=C2CCCCC2)C1 ZINC001267578774 808451653 /nfs/dbraw/zinc/45/16/53/808451653.db2.gz QWAPRZWNJCYLLF-QGZVFWFLSA-N 1 1 290.451 3.233 20 30 CGEDMO C#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)CCCCCC)C1 ZINC001267591910 808453388 /nfs/dbraw/zinc/45/33/88/808453388.db2.gz LFUGFEDKRZKIIQ-DLBZAZTESA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCCC(=O)N1CCC(C[N@H+](C)C[C@@H](C)CC)CC1 ZINC001267598228 808455833 /nfs/dbraw/zinc/45/58/33/808455833.db2.gz XGVGTNQEGPQOGJ-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H](NC(=O)C2CCCCC2)C1 ZINC001267620578 808458696 /nfs/dbraw/zinc/45/86/96/808458696.db2.gz BLSIEPSHULZPQG-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@](C)(F)CCCC)C1 ZINC001267627725 808461049 /nfs/dbraw/zinc/46/10/49/808461049.db2.gz KJQJLPXNZYQLTM-HOCLYGCPSA-N 1 1 284.419 3.062 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@@H]1CCN(C(=O)/C(C)=C\C)C1 ZINC001267638100 808462536 /nfs/dbraw/zinc/46/25/36/808462536.db2.gz JFTHDEZCIKJWLG-CVWPPMRVSA-N 1 1 292.467 3.479 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)CCCC2CC2)C1 ZINC001267670353 808467828 /nfs/dbraw/zinc/46/78/28/808467828.db2.gz MQQCALLXONFBDQ-QGZVFWFLSA-N 1 1 292.467 3.313 20 30 CGEDMO C[C@H](Cc1ccc(F)cc1Cl)[N@H+](C)CCC#N ZINC001172865543 808468669 /nfs/dbraw/zinc/46/86/69/808468669.db2.gz OIRRERJUFLEKQF-SNVBAGLBSA-N 1 1 254.736 3.256 20 30 CGEDMO C[C@H](Cc1ccc(F)cc1Cl)[N@@H+](C)CCC#N ZINC001172865543 808468672 /nfs/dbraw/zinc/46/86/72/808468672.db2.gz OIRRERJUFLEKQF-SNVBAGLBSA-N 1 1 254.736 3.256 20 30 CGEDMO C#CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@](C)(CC)CCC)C1 ZINC001267696525 808472618 /nfs/dbraw/zinc/47/26/18/808472618.db2.gz HPKFDUVTFWUNLG-AEFFLSMTSA-N 1 1 292.467 3.006 20 30 CGEDMO C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@](C)(CC)CCC)C1 ZINC001267696531 808472998 /nfs/dbraw/zinc/47/29/98/808472998.db2.gz HPKFDUVTFWUNLG-WMZOPIPTSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(CCC)CCC ZINC001267712039 808474321 /nfs/dbraw/zinc/47/43/21/808474321.db2.gz KNOCMLIWNCRONR-HOTGVXAUSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2cc(C)c(C)o2)C1 ZINC001267721483 808475950 /nfs/dbraw/zinc/47/59/50/808475950.db2.gz BFFGOFPWFKLOMT-HIFRSBDPSA-N 1 1 290.407 3.055 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](C/C=C/c2ccccc2)C1 ZINC001267743284 808480328 /nfs/dbraw/zinc/48/03/28/808480328.db2.gz PDMPVFYVVZTCFW-AHKGRUIUSA-N 1 1 298.430 3.247 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[N@H+](C[C@H](C)CC(C)C)C1 ZINC001267747208 808483625 /nfs/dbraw/zinc/48/36/25/808483625.db2.gz OWYOJKDAIDCBTR-HUUCEWRRSA-N 1 1 280.456 3.071 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H](C)CCCCCC)C1 ZINC001267791559 808493540 /nfs/dbraw/zinc/49/35/40/808493540.db2.gz VMSLVSDHOIDMAE-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO C[N@@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C(C)(C)C ZINC001172986235 808497136 /nfs/dbraw/zinc/49/71/36/808497136.db2.gz VLQCXKZBNZYLDH-OLZOCXBDSA-N 1 1 295.427 3.008 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C)cc2)C1 ZINC001268114499 808545020 /nfs/dbraw/zinc/54/50/20/808545020.db2.gz UDPYFHYSUSNWHX-QGZVFWFLSA-N 1 1 286.419 3.155 20 30 CGEDMO C=CCC[N@H+](C)CCC1CCN(C(=O)/C(C)=C\CC)CC1 ZINC001268199884 808556120 /nfs/dbraw/zinc/55/61/20/808556120.db2.gz GUCIOUPMBNPSTH-PXNMLYILSA-N 1 1 292.467 3.479 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)CC1(C)CCCC1 ZINC001268236287 808566286 /nfs/dbraw/zinc/56/62/86/808566286.db2.gz VPFSJNWNGPMEMD-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO CC#CC[N@@H+](C)CCN(C)C(=O)C1(CC(C)C)CCCC1 ZINC001268252457 808570457 /nfs/dbraw/zinc/57/04/57/808570457.db2.gz BEKKMUUNWHQNII-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CC3CCC3)CC[C@@H]21 ZINC001268264524 808573345 /nfs/dbraw/zinc/57/33/45/808573345.db2.gz UJVJKXBCINSWEB-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[NH+]1CC(NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001268473989 808590676 /nfs/dbraw/zinc/59/06/76/808590676.db2.gz GKLJDPNBWGSEJN-UHFFFAOYSA-N 1 1 286.419 3.190 20 30 CGEDMO C=CCOC1CCC([N@H+](CCC)CCCN(C)C)CC1 ZINC001173322618 808611470 /nfs/dbraw/zinc/61/14/70/808611470.db2.gz GUWMUMMMPQIABJ-UHFFFAOYSA-N 1 1 282.472 3.164 20 30 CGEDMO C=CCOC1CCC([N@@H+](CCC)CCCN(C)C)CC1 ZINC001173322618 808611473 /nfs/dbraw/zinc/61/14/73/808611473.db2.gz GUWMUMMMPQIABJ-UHFFFAOYSA-N 1 1 282.472 3.164 20 30 CGEDMO CCOC(=O)[C@H](CC(C)(C)F)[NH2+]C1CCC(CC#N)CC1 ZINC001173328944 808614676 /nfs/dbraw/zinc/61/46/76/808614676.db2.gz VCRQGQKRWDGSIX-RUXDESIVSA-N 1 1 298.402 3.118 20 30 CGEDMO N#CCC1CCC([N@H+]2CCc3cc4c(cc3C2)OCO4)CC1 ZINC001173331206 808616033 /nfs/dbraw/zinc/61/60/33/808616033.db2.gz MYQAENKSFIHBSN-UHFFFAOYSA-N 1 1 298.386 3.246 20 30 CGEDMO COc1cccc2c1C[N@H+](C1CCC(CC#N)CC1)C2 ZINC001173337036 808618959 /nfs/dbraw/zinc/61/89/59/808618959.db2.gz WMHKHKCRJFRGII-UHFFFAOYSA-N 1 1 270.376 3.483 20 30 CGEDMO N#CCC1CCC([N@H+]2CC[C@H](c3cccnc3)C2)CC1 ZINC001173338308 808619010 /nfs/dbraw/zinc/61/90/10/808619010.db2.gz CSGDIYBXAATIFK-WIHSUSGWSA-N 1 1 269.392 3.343 20 30 CGEDMO C=CCCCC(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1F ZINC001268743784 808619758 /nfs/dbraw/zinc/61/97/58/808619758.db2.gz VHKFZAGHCBEKRS-CQSZACIVSA-N 1 1 292.398 3.119 20 30 CGEDMO C=CCCCC(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1F ZINC001268743784 808619762 /nfs/dbraw/zinc/61/97/62/808619762.db2.gz VHKFZAGHCBEKRS-CQSZACIVSA-N 1 1 292.398 3.119 20 30 CGEDMO N#CCC1CCC([NH+]2CCN(CC3CCCC3)CC2)CC1 ZINC001173340142 808619779 /nfs/dbraw/zinc/61/97/79/808619779.db2.gz YWWXUEUFDUSJNP-UHFFFAOYSA-N 1 1 289.467 3.267 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H](C)C[N@H+](C)C[C@@H](C)CC(C)C ZINC001268741176 808619886 /nfs/dbraw/zinc/61/98/86/808619886.db2.gz PCGHXVHPVYCRKD-GJZGRUSLSA-N 1 1 282.472 3.317 20 30 CGEDMO N#CCC1CCC([N@H+]2CC[C@@]3(CC3(F)F)C2)CC1 ZINC001173339048 808620056 /nfs/dbraw/zinc/62/00/56/808620056.db2.gz KLUUCGXKSLYWPE-WXRRBKDZSA-N 1 1 254.324 3.190 20 30 CGEDMO Cc1cnccc1O[C@H]1CC[N@H+](C2CCC(CC#N)CC2)C1 ZINC001173341526 808621004 /nfs/dbraw/zinc/62/10/04/808621004.db2.gz YOUYKGUWYILSHO-JCYILVPMSA-N 1 1 299.418 3.316 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H](C)C[N@H+](C)CC(CC)CC)C1 ZINC001268747630 808622082 /nfs/dbraw/zinc/62/20/82/808622082.db2.gz SWSVKIBSFOQDMS-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCCC)c1ccccc1 ZINC001268757565 808625930 /nfs/dbraw/zinc/62/59/30/808625930.db2.gz SLXCYTOWRXZFTP-DOTOQJQBSA-N 1 1 288.435 3.193 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001269039544 808644162 /nfs/dbraw/zinc/64/41/62/808644162.db2.gz ZHANDJIJHFMYSH-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)C1Cc2cc(F)c(F)cc2C1 ZINC001173483412 808644529 /nfs/dbraw/zinc/64/45/29/808644529.db2.gz PXVFFOUQTSAPPU-UHFFFAOYSA-N 1 1 298.336 3.436 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)C1Cc2cc(F)c(F)cc2C1 ZINC001173480702 808644899 /nfs/dbraw/zinc/64/48/99/808644899.db2.gz AUFMDLGACRIBDE-UHFFFAOYSA-N 1 1 298.336 3.436 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CC[C@@](C)(F)[C@H](F)C2)CC1 ZINC001173594033 808649602 /nfs/dbraw/zinc/64/96/02/808649602.db2.gz POGLTDQDSFQHTA-FKZOYECMSA-N 1 1 256.340 3.231 20 30 CGEDMO CCN(CC)CC[N@@H+](CC)C1CCC(C)(C#N)CC1 ZINC001173596102 808650015 /nfs/dbraw/zinc/65/00/15/808650015.db2.gz JPZVUQCGCBUNBC-UHFFFAOYSA-N 1 1 265.445 3.123 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](N(C)C(=O)C2CC=CC2)C1 ZINC001269227838 808657616 /nfs/dbraw/zinc/65/76/16/808657616.db2.gz SOYQTYJVVNMINO-KRWDZBQOSA-N 1 1 290.451 3.232 20 30 CGEDMO C#CCCCCC(=O)NC[C@@H]1CC[N@@H+]1CCCC(C)(C)C ZINC001269224018 808657634 /nfs/dbraw/zinc/65/76/34/808657634.db2.gz TWYQHNBTRIXOHX-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)C2CC=CC2)C1 ZINC001269227839 808658405 /nfs/dbraw/zinc/65/84/05/808658405.db2.gz SOYQTYJVVNMINO-QGZVFWFLSA-N 1 1 290.451 3.232 20 30 CGEDMO CCCC[N@@H+](CCC#N)[C@@H]1CC[C@H](CC(=O)OCC)C1 ZINC001173642994 808658540 /nfs/dbraw/zinc/65/85/40/808658540.db2.gz GBPPCRRMFHAUKP-LSDHHAIUSA-N 1 1 280.412 3.124 20 30 CGEDMO C=CCC(CC=C)C(=O)N(C)[C@@H]1CC[N@H+](C[C@@H](F)CC)C1 ZINC001269245964 808660078 /nfs/dbraw/zinc/66/00/78/808660078.db2.gz POMPLOZJZGOCRE-JKSUJKDBSA-N 1 1 296.430 3.036 20 30 CGEDMO C#CCCCC(=O)N(CC)[C@@H]1CC[N@H+]([C@H](C)CCC=C)C1 ZINC001269325283 808669972 /nfs/dbraw/zinc/66/99/72/808669972.db2.gz YPNMATGOHUZHQU-IAGOWNOFSA-N 1 1 290.451 3.067 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173760660 808670498 /nfs/dbraw/zinc/67/04/98/808670498.db2.gz QKADMRCOGHRFFC-LSDHHAIUSA-N 1 1 279.432 3.059 20 30 CGEDMO CCCCCCCC[N@@H+](C)[C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173761737 808670822 /nfs/dbraw/zinc/67/08/22/808670822.db2.gz VWULLYXVZIBTOK-HZPDHXFCSA-N 1 1 293.459 3.449 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](C)SC)C1 ZINC001270548743 808735333 /nfs/dbraw/zinc/73/53/33/808735333.db2.gz LRRRNNWBPRRKTO-ZBFHGGJFSA-N 1 1 298.496 3.065 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@](C)(NC(=O)/C=C(/C)CC)C1 ZINC001270584650 808738264 /nfs/dbraw/zinc/73/82/64/808738264.db2.gz UXCNNIKYDYABGG-NPCRWQHWSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC2(C)C)C1 ZINC001270983555 808758034 /nfs/dbraw/zinc/75/80/34/808758034.db2.gz QQDXRIYCPRPGHU-QAPCUYQASA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)c1ccsc1 ZINC001271957767 808791026 /nfs/dbraw/zinc/79/10/26/808791026.db2.gz NXHFNBQPAOQOKY-ZDUSSCGKSA-N 1 1 280.437 3.107 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N(C)CC[N@@H+](C)CCC(C)(C)C ZINC001272104325 808797546 /nfs/dbraw/zinc/79/75/46/808797546.db2.gz AOUDWOVBVAOSKZ-KRWDZBQOSA-N 1 1 282.472 3.415 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)c1cc2ccccc2[nH]1 ZINC001272165002 808799371 /nfs/dbraw/zinc/79/93/71/808799371.db2.gz KXEYPIWNKLGJRR-UHFFFAOYSA-N 1 1 299.418 3.138 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)[C@H](C)c1ccc(C)o1 ZINC001272126435 808799431 /nfs/dbraw/zinc/79/94/31/808799431.db2.gz YJTVYSOFBGHYSA-OAHLLOKOSA-N 1 1 292.423 3.048 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)c1c(C)cccc1F ZINC001272185636 808800633 /nfs/dbraw/zinc/80/06/33/808800633.db2.gz QISRIJXRMDTOER-UHFFFAOYSA-N 1 1 292.398 3.104 20 30 CGEDMO C=CCN1CC[C@@]2(CCC[N@@H+]2C[C@H](CC)CCCC)C1=O ZINC001272429331 808807863 /nfs/dbraw/zinc/80/78/63/808807863.db2.gz KTVGBFQQQOULPX-AEFFLSMTSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@@H+]2C[C@H](CC)CCCC)C1=O ZINC001272429340 808807886 /nfs/dbraw/zinc/80/78/86/808807886.db2.gz KTVGBFQQQOULPX-SJLPKXTDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2C[C@@H](C)CCC ZINC001272429336 808808491 /nfs/dbraw/zinc/80/84/91/808808491.db2.gz CBYVGBWDTBDSSQ-RDJZCZTQSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CN1CC[C@@]2(CCC[N@H+](CCC(C)C)CC2)C1=O ZINC001272454865 808810406 /nfs/dbraw/zinc/81/04/06/808810406.db2.gz VVKOWQOPVRSGGO-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(C)c(C)c1 ZINC001272988766 808829881 /nfs/dbraw/zinc/82/98/81/808829881.db2.gz WRZXEUXTIMGMIL-QZTJIDSGSA-N 1 1 298.430 3.055 20 30 CGEDMO C=CCN1CC[C@@]2(CCC[N@@H+]2CC2(C)CCCCC2)C1=O ZINC001273451393 808846759 /nfs/dbraw/zinc/84/67/59/808846759.db2.gz XLHHBJOKTDLLSO-SFHVURJKSA-N 1 1 290.451 3.210 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@]2(CCN([C@H](C)CC)C2=O)CC1 ZINC001273487170 808848556 /nfs/dbraw/zinc/84/85/56/808848556.db2.gz VSMUJJODNARCCI-SJLPKXTDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N(C)CCC[N@@H+](C)CC=C(C)C ZINC001273541115 808852251 /nfs/dbraw/zinc/85/22/51/808852251.db2.gz OICDEGMUJJAPCD-UHFFFAOYSA-N 1 1 280.456 3.335 20 30 CGEDMO C=CCCC[N@@H+]1Cc2ccc(CNC(=O)CCC)cc2C1 ZINC001274021540 808866603 /nfs/dbraw/zinc/86/66/03/808866603.db2.gz YDEXOUCHRPFTTN-UHFFFAOYSA-N 1 1 286.419 3.385 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C)C(C)(C)C1 ZINC001274454298 808875962 /nfs/dbraw/zinc/87/59/62/808875962.db2.gz NVEWMUVDSCQYTQ-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@@H+](C/C=C/Cl)[C@H](C)C1 ZINC001274626419 808880568 /nfs/dbraw/zinc/88/05/68/808880568.db2.gz YUFYJTMJKVAYIW-RTIZMKJZSA-N 1 1 298.858 3.310 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1c2ccccc2CC[N@@H+]1CCC=C ZINC001274847522 808890738 /nfs/dbraw/zinc/89/07/38/808890738.db2.gz PGFWPYGPHMWLOK-GOSISDBHSA-N 1 1 298.430 3.244 20 30 CGEDMO C=CCCC(=O)N1CCC(C[N@H+](CC)CCCC)CC1 ZINC001274945579 808894212 /nfs/dbraw/zinc/89/42/12/808894212.db2.gz QHXXRYHCOHJVAZ-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]1C[N@H+](C)CC[C@H](C)F ZINC001275113660 808910869 /nfs/dbraw/zinc/91/08/69/808910869.db2.gz BZDCZKLMBISZRZ-LSDHHAIUSA-N 1 1 284.419 3.014 20 30 CGEDMO C#CC[N@H+](C)C[C@H]1CCCN1C(=O)CCCC[C@@H](C)CC ZINC001275114979 808911508 /nfs/dbraw/zinc/91/15/08/808911508.db2.gz MNNGADARFQQFNY-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CCC1(C)CC1 ZINC001275160343 808919272 /nfs/dbraw/zinc/91/92/72/808919272.db2.gz LWVGRGBAHARPTP-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1ccoc1Cl ZINC001275819981 808967947 /nfs/dbraw/zinc/96/79/47/808967947.db2.gz WWRAHAODLRNERS-VXGBXAGGSA-N 1 1 298.814 3.338 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)C[C@@H]1C=CCCC1 ZINC001275858279 808971475 /nfs/dbraw/zinc/97/14/75/808971475.db2.gz HYUIOVGPAVDISW-JKSUJKDBSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)c1ccc(CC)s1 ZINC001275872239 808972919 /nfs/dbraw/zinc/97/29/19/808972919.db2.gz ANRMNMAAVHLBKW-CYBMUJFWSA-N 1 1 294.464 3.327 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)c1cccs1 ZINC001275928192 808976806 /nfs/dbraw/zinc/97/68/06/808976806.db2.gz GVWKQJJOQRSCQI-UONOGXRCSA-N 1 1 294.464 3.254 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)c1cccc2cc[nH]c21 ZINC001275936759 808977833 /nfs/dbraw/zinc/97/78/33/808977833.db2.gz VRDRTZBYQSHGBI-CQSZACIVSA-N 1 1 299.418 3.184 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)c1csc(Cl)c1 ZINC001275947896 808979182 /nfs/dbraw/zinc/97/91/82/808979182.db2.gz YUXGVKIDGCLYCS-JTQLQIEISA-N 1 1 286.828 3.028 20 30 CGEDMO C=CCCCCCC[N@@H+]1CCCC2(CN(C)C2)C1 ZINC001276042279 808986037 /nfs/dbraw/zinc/98/60/37/808986037.db2.gz YLNVTICHCGEBJR-UHFFFAOYSA-N 1 1 250.430 3.151 20 30 CGEDMO C#CCCCCCC(=O)NC[C@H]1CCCCC[N@@H+]1CC=C ZINC001276312568 809001461 /nfs/dbraw/zinc/00/14/61/809001461.db2.gz SHWHAYQYOOLAQU-QGZVFWFLSA-N 1 1 290.451 3.117 20 30 CGEDMO C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C)C1CCC1 ZINC001276311591 809001922 /nfs/dbraw/zinc/00/19/22/809001922.db2.gz MVIPBVKMVOBMFL-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCC(=O)N1CC2(C1)CCC[N@H+](C[C@H](F)CC)C2 ZINC001276877017 809039029 /nfs/dbraw/zinc/03/90/29/809039029.db2.gz GOVNOLFSDZWRDC-OAHLLOKOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H](CC)CC1CCCC1 ZINC001276930380 809046380 /nfs/dbraw/zinc/04/63/80/809046380.db2.gz GIPFMACXUTZJFD-IRXDYDNUSA-N 1 1 292.467 3.360 20 30 CGEDMO N#Cc1ccccc1N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCCC1 ZINC001276954210 809049024 /nfs/dbraw/zinc/04/90/24/809049024.db2.gz YXSDBHUQSYGXOY-CALCHBBNSA-N 1 1 281.403 3.154 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CNC(=O)c1ccoc1CCC ZINC001276956823 809049935 /nfs/dbraw/zinc/04/99/35/809049935.db2.gz OGEZMSXIZREEHF-AWEZNQCLSA-N 1 1 290.407 3.002 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@H]1[C@H]1CC[N@H+](CCC)C1 ZINC001277283815 809067934 /nfs/dbraw/zinc/06/79/34/809067934.db2.gz HERGOCNNZDDTRV-HOTGVXAUSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCCC(=O)N1CC[C@]2(CC[N@H+](C/C=C\Cl)C2)C1 ZINC001277530807 809079281 /nfs/dbraw/zinc/07/92/81/809079281.db2.gz GRMVMSLNYYWZHG-GEZBDVBVSA-N 1 1 296.842 3.020 20 30 CGEDMO Cc1cc(O)ccc1Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001174559281 809083048 /nfs/dbraw/zinc/08/30/48/809083048.db2.gz GLFXYQFMCARKAA-UHFFFAOYSA-N 1 1 299.399 3.365 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)/C(C)=C\CC)CC1 ZINC001278031404 809113242 /nfs/dbraw/zinc/11/32/42/809113242.db2.gz RDGAGWNWOVATMN-SDQBBNPISA-N 1 1 284.831 3.066 20 30 CGEDMO C=CC[N@H+](CCOC(=O)Cc1ccccc1)C(C)(C)C ZINC001174642547 809114188 /nfs/dbraw/zinc/11/41/88/809114188.db2.gz VKZSFWGFCYFJCS-UHFFFAOYSA-N 1 1 275.392 3.059 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CCC[N@@H+](CCC(C)(C)C)[C@H]1C ZINC001278500798 809137190 /nfs/dbraw/zinc/13/71/90/809137190.db2.gz OGNBAOMMXRAQQY-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC001278501749 809137782 /nfs/dbraw/zinc/13/77/82/809137782.db2.gz YKRNUKNIAZNPGX-NVXWUHKLSA-N 1 1 286.419 3.122 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)CC(C)=C(C)C)[C@H]1C ZINC001278520886 809140042 /nfs/dbraw/zinc/14/00/42/809140042.db2.gz KAEDXBPNSKVNEW-HZPDHXFCSA-N 1 1 278.440 3.278 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)CCCCC(C)C)[C@@H]1C ZINC001278526374 809140532 /nfs/dbraw/zinc/14/05/32/809140532.db2.gz IQZYIICGSHCRHK-DLBZAZTESA-N 1 1 292.467 3.195 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CCCCCCCC)[C@H]1C ZINC001278526109 809140658 /nfs/dbraw/zinc/14/06/58/809140658.db2.gz FZRWFDJJJKHBFJ-SJORKVTESA-N 1 1 292.467 3.339 20 30 CGEDMO C=CCCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC=C(C)C)C2 ZINC001278954240 809158511 /nfs/dbraw/zinc/15/85/11/809158511.db2.gz WSCOCFCBHHUDGB-ULQDDVLXSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CC)CC(C)C ZINC001279585788 809175692 /nfs/dbraw/zinc/17/56/92/809175692.db2.gz DDGHGUZGOHURNF-GVDBMIGSSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)F)CC1 ZINC001280691089 809195865 /nfs/dbraw/zinc/19/58/65/809195865.db2.gz IGMOBZFMBLVRMZ-HNNXBMFYSA-N 1 1 298.446 3.452 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CCC[N@H+](CC(=C)C)CC1 ZINC001280746638 809196490 /nfs/dbraw/zinc/19/64/90/809196490.db2.gz JYEYUKVDLFZSOK-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CC12CCCC2 ZINC001280873773 809202754 /nfs/dbraw/zinc/20/27/54/809202754.db2.gz OUWUCQFCRPUODY-CQSZACIVSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCN(C)C(=O)[C@H]1CC12CCCC2 ZINC001280873773 809202758 /nfs/dbraw/zinc/20/27/58/809202758.db2.gz OUWUCQFCRPUODY-CQSZACIVSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CSC(C)C)C[C@@H]1C ZINC001281653149 809216995 /nfs/dbraw/zinc/21/69/95/809216995.db2.gz RGRKLHDAXNSDEV-GJZGRUSLSA-N 1 1 298.496 3.063 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]1C[N@H+](C)CCC(C)C ZINC001281939405 809224512 /nfs/dbraw/zinc/22/45/12/809224512.db2.gz FQLCCSPDKIJZPD-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]([C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001281974420 809226363 /nfs/dbraw/zinc/22/63/63/809226363.db2.gz CEIAWQQMROIVPB-SJORKVTESA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)c1cc(C)sc1C ZINC001282421696 809246967 /nfs/dbraw/zinc/24/69/67/809246967.db2.gz CSJKSEKKLWLWCS-LBPRGKRZSA-N 1 1 294.464 3.381 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)c1cc[nH]c1C(C)C ZINC001282452264 809248442 /nfs/dbraw/zinc/24/84/42/809248442.db2.gz VZALPFCWZVESQV-AWEZNQCLSA-N 1 1 291.439 3.154 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCCC[N@H+]1CCCF ZINC001282665724 809258290 /nfs/dbraw/zinc/25/82/90/809258290.db2.gz NYSGAFRCTNHMPN-HNNXBMFYSA-N 1 1 298.446 3.309 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC2(C1)CCC[N@H+](C(C)C)C2 ZINC001282963990 809267443 /nfs/dbraw/zinc/26/74/43/809267443.db2.gz AQIOIWPQUYUPQV-UHFFFAOYSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)C3(C)CC3)C2)C1 ZINC001282964782 809268004 /nfs/dbraw/zinc/26/80/04/809268004.db2.gz LOQBTELXTCDBBA-HNNXBMFYSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)[C@@H](C)C(CC)CC)CC1 ZINC001283317248 809275208 /nfs/dbraw/zinc/27/52/08/809275208.db2.gz OGMRDDVYKFWMAB-AWEZNQCLSA-N 1 1 280.456 3.168 20 30 CGEDMO C#CCC[N@H+](C)C1CCN(C(=O)C[C@H](C)CC(C)C)CC1 ZINC001283339974 809277192 /nfs/dbraw/zinc/27/71/92/809277192.db2.gz BXQYOXHRUOXISJ-MRXNPFEDSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)CSC(C)C)[C@@H]1C ZINC001284119090 809296347 /nfs/dbraw/zinc/29/63/47/809296347.db2.gz KZVJEMHPOYAFHH-GJZGRUSLSA-N 1 1 298.496 3.063 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)c1sccc1C)C(C)C ZINC001284528719 809306589 /nfs/dbraw/zinc/30/65/89/809306589.db2.gz YOGLZJNPFXSXSF-UHFFFAOYSA-N 1 1 294.464 3.415 20 30 CGEDMO CCCCCCC[N@H+]1CCCCCCNC(=O)CC1 ZINC001175228920 809317443 /nfs/dbraw/zinc/31/74/43/809317443.db2.gz JKYJYMRJGOJCCN-UHFFFAOYSA-N 1 1 268.445 3.339 20 30 CGEDMO Nc1ccccc1C(NO)=[NH+]c1cccc(C2CC2)c1 ZINC001176726343 809751602 /nfs/dbraw/zinc/75/16/02/809751602.db2.gz UZIYMXDUYBCUSH-UHFFFAOYSA-N 1 1 267.332 3.203 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1CC1(Br)CC1 ZINC001176771598 809759879 /nfs/dbraw/zinc/75/98/79/809759879.db2.gz NJQCAXOUPLPFKW-NSHDSACASA-N 1 1 258.203 3.345 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCCO2)ccc1F ZINC001176925618 809769490 /nfs/dbraw/zinc/76/94/90/809769490.db2.gz CIJCCYLNKPFKGY-SJORKVTESA-N 1 1 288.366 3.231 20 30 CGEDMO C=CC[C@@H](C(=O)NCc1[nH]c(C)[nH+]c1C)c1ccccc1 ZINC001178441713 809866651 /nfs/dbraw/zinc/86/66/51/809866651.db2.gz RJXMJRQZXFSTMV-OAHLLOKOSA-N 1 1 283.375 3.003 20 30 CGEDMO C#CC[N@H+](C/C=C\c1ccc(N(C)C)cc1)CC1CC1 ZINC001180116304 809974833 /nfs/dbraw/zinc/97/48/33/809974833.db2.gz ISQMRRAJQQUJDK-WAYWQWQTSA-N 1 1 268.404 3.111 20 30 CGEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001180280731 809989058 /nfs/dbraw/zinc/98/90/58/809989058.db2.gz MHNRXFAQDRYBMA-QAPCUYQASA-N 1 1 283.419 3.389 20 30 CGEDMO CC(C)C1C[NH+](Cc2cc(C#N)ccc2Br)C1 ZINC001181256555 810045157 /nfs/dbraw/zinc/04/51/57/810045157.db2.gz QSJNVABXWRYNJA-UHFFFAOYSA-N 1 1 293.208 3.409 20 30 CGEDMO C=C(C)C[C@H]([NH2+]C[C@@H]1C(C)=CCC[C@@H]1C)C(=O)OCC ZINC001183551357 810151695 /nfs/dbraw/zinc/15/16/95/810151695.db2.gz PWDYQVZDPVZPQF-XHSDSOJGSA-N 1 1 279.424 3.466 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CC3CC3)[C@@H]2C1 ZINC001186637657 810352948 /nfs/dbraw/zinc/35/29/48/810352948.db2.gz ZVTFARMYFAJTHE-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]2C[N@H+]([C@H](C)c3ccccc3)C[C@H]21 ZINC001187208745 810390228 /nfs/dbraw/zinc/39/02/28/810390228.db2.gz KBSLOXYBZLSEJJ-BPQIPLTHSA-N 1 1 298.430 3.247 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)C=C(CC)CC)[C@@H]2C1 ZINC001187546429 810404385 /nfs/dbraw/zinc/40/43/85/810404385.db2.gz JYMMSZGXUFGDNB-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CC(C)(C)CC)[C@@H]2C1 ZINC001188033437 810444583 /nfs/dbraw/zinc/44/45/83/810444583.db2.gz HMFGMUBPSOVQRS-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(C)s2)C1 ZINC001188652566 810498799 /nfs/dbraw/zinc/49/87/99/810498799.db2.gz OECVGHJFERJHNX-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)CCCCC)C1 ZINC001188913936 810522553 /nfs/dbraw/zinc/52/25/53/810522553.db2.gz CKRPGGXNNHUHSN-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCCC(=O)N1CC[C@@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001189318067 810557033 /nfs/dbraw/zinc/55/70/33/810557033.db2.gz HIODRXGGUQCJGD-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CC2CCC2)C1 ZINC001189526035 810574570 /nfs/dbraw/zinc/57/45/70/810574570.db2.gz HAFVWAUJGLEYMS-HOCLYGCPSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)C2CC2)C1 ZINC001189546372 810576398 /nfs/dbraw/zinc/57/63/98/810576398.db2.gz BSBHMXMPKQWBMM-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)c2oc(C)cc2C)C1 ZINC001189575184 810579878 /nfs/dbraw/zinc/57/98/78/810579878.db2.gz SGGUFBWOTYFLJS-HNNXBMFYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)c2cc(C)c(C)o2)C1 ZINC001189650392 810584742 /nfs/dbraw/zinc/58/47/42/810584742.db2.gz CSTQNQIDEHFUCH-OAHLLOKOSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)CCC(C)(C)C)[C@@H]2C1 ZINC001189810944 810591049 /nfs/dbraw/zinc/59/10/49/810591049.db2.gz ODJMTMVSUIXNLD-OWCLPIDISA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C)CCCC)C1 ZINC001189974087 810599365 /nfs/dbraw/zinc/59/93/65/810599365.db2.gz SXBYFIIMNDONFU-JSGCOSHPSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)CCCC)C1 ZINC001189974087 810599370 /nfs/dbraw/zinc/59/93/70/810599370.db2.gz SXBYFIIMNDONFU-JSGCOSHPSA-N 1 1 286.847 3.098 20 30 CGEDMO C#CCC[N@H+](C)[C@@H]1CCN(C(=O)CCCC[C@@H](C)CC)C1 ZINC001190361618 810624041 /nfs/dbraw/zinc/62/40/41/810624041.db2.gz FWGBRGYVGQKXDN-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CCCC)C(C)C)[C@@H]2C1 ZINC001190378139 810626000 /nfs/dbraw/zinc/62/60/00/810626000.db2.gz SUHPBCCSDKAIDU-YESZJQIVSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C2(CC(C)C)CC2)C1 ZINC001190565440 810634006 /nfs/dbraw/zinc/63/40/06/810634006.db2.gz GKEKEJCRRUSBKU-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)C(C)(C)C)C1 ZINC001190932853 810657681 /nfs/dbraw/zinc/65/76/81/810657681.db2.gz DRVSSNVIHKERLO-GJZGRUSLSA-N 1 1 280.456 3.168 20 30 CGEDMO CCCCCCCNC(=O)N1CCC([N@@H+](C)CC)CC1 ZINC001191102070 810676333 /nfs/dbraw/zinc/67/63/33/810676333.db2.gz YXJYFQCPKWUHGE-UHFFFAOYSA-N 1 1 283.460 3.083 20 30 CGEDMO N#Cc1cncc(C[NH+]2CCC(OCC3CCCC3)CC2)c1 ZINC001191444819 810714105 /nfs/dbraw/zinc/71/41/05/810714105.db2.gz QLRIUHIBIJWVCC-UHFFFAOYSA-N 1 1 299.418 3.124 20 30 CGEDMO C#CCCCCCC(=O)N1CC[C@H]([N@H+](C)C[C@@H](C)CC)C1 ZINC001191754060 810737212 /nfs/dbraw/zinc/73/72/12/810737212.db2.gz KIXZFRSCNQNDPG-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C2CC3(CCC3)C2)C1 ZINC001191830054 810749053 /nfs/dbraw/zinc/74/90/53/810749053.db2.gz TVETWWONVHIEBM-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[C@@H]([N@@H+](C)CCCCCF)C1 ZINC001191889042 810754030 /nfs/dbraw/zinc/75/40/30/810754030.db2.gz ADVUNQMQWADACK-HZPDHXFCSA-N 1 1 298.446 3.261 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)C2(CCCC)CC2)C1 ZINC001192198684 810776084 /nfs/dbraw/zinc/77/60/84/810776084.db2.gz VJRGRLKQFREUBJ-AWEZNQCLSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)C2(CCCC)CC2)C1 ZINC001192198684 810776086 /nfs/dbraw/zinc/77/60/86/810776086.db2.gz VJRGRLKQFREUBJ-AWEZNQCLSA-N 1 1 298.858 3.242 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)CC(=C)Cl)C2)CCC1 ZINC001192218550 810777236 /nfs/dbraw/zinc/77/72/36/810777236.db2.gz RXSGHXSPNQFWSY-CQSZACIVSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@@H]([N@@H+](C)CC(=C)Cl)C2)CCC1 ZINC001192218550 810777239 /nfs/dbraw/zinc/77/72/39/810777239.db2.gz RXSGHXSPNQFWSY-CQSZACIVSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C2(CCC=C)CC2)C1 ZINC001192217772 810777446 /nfs/dbraw/zinc/77/74/46/810777446.db2.gz JTEVEQYHMCDZKZ-MRXNPFEDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC[C@H]([N@@H+](C)CCCCCF)C2)C1 ZINC001192256459 810781116 /nfs/dbraw/zinc/78/11/16/810781116.db2.gz IAXOQAHIRSTMDH-HNNXBMFYSA-N 1 1 296.430 3.015 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC23CC3)C1 ZINC001192532750 810805856 /nfs/dbraw/zinc/80/58/56/810805856.db2.gz LCSYPMUHRYAOKB-CVEARBPZSA-N 1 1 292.467 3.290 20 30 CGEDMO C#CCCCCCC[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC001192955851 810834469 /nfs/dbraw/zinc/83/44/69/810834469.db2.gz KWFUKUIYZQGRNQ-JKSUJKDBSA-N 1 1 265.441 3.299 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)CCC)C1 ZINC001193113264 810858117 /nfs/dbraw/zinc/85/81/17/810858117.db2.gz ZWLIUKWVFGQKNY-KBPBESRZSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)CCC)C1 ZINC001193113264 810858127 /nfs/dbraw/zinc/85/81/27/810858127.db2.gz ZWLIUKWVFGQKNY-KBPBESRZSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)CCC)C1 ZINC001193122916 810860216 /nfs/dbraw/zinc/86/02/16/810860216.db2.gz NPWBQWOGVVMNKG-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001193366027 810877975 /nfs/dbraw/zinc/87/79/75/810877975.db2.gz WXEMQXWTFHCQQH-UHFFFAOYSA-N 1 1 287.403 3.486 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccccc2Cl)C1 ZINC001193621194 810921477 /nfs/dbraw/zinc/92/14/77/810921477.db2.gz DNWAFZAHUTUQOE-CYBMUJFWSA-N 1 1 292.810 3.062 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCC[C@@H]1C(=O)OC ZINC001193943493 810981267 /nfs/dbraw/zinc/98/12/67/810981267.db2.gz ZZGNPUYNPOPUQI-ZNMIVQPWSA-N 1 1 265.397 3.006 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC001194533949 811086159 /nfs/dbraw/zinc/08/61/59/811086159.db2.gz MUYYQPVLQWWITB-CQSZACIVSA-N 1 1 270.417 3.119 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)/C(C)=C\CC)CC1 ZINC001195080133 811197619 /nfs/dbraw/zinc/19/76/19/811197619.db2.gz ZBKMJBQJDQGQAH-QOBZYLRHSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)/C=C/C(C)(C)C)CC1 ZINC001195356613 811247465 /nfs/dbraw/zinc/24/74/65/811247465.db2.gz UKJQUELOJUISER-SIFUEBAJSA-N 1 1 292.467 3.478 20 30 CGEDMO CC1(C)c2ccccc2CC[N@@H+]1Cc1ccc(C#N)o1 ZINC001195384662 811250309 /nfs/dbraw/zinc/25/03/09/811250309.db2.gz AQWRZUOEYJRQQI-UHFFFAOYSA-N 1 1 266.344 3.445 20 30 CGEDMO C/C=C(\C)C(=O)N1CCC[N@H+](CCCCCCC)CC1 ZINC001195460291 811257113 /nfs/dbraw/zinc/25/71/13/811257113.db2.gz VOMCNGYYXLYVDS-FZSIALSZSA-N 1 1 280.456 3.457 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](CCO[C@H]2CCCC[C@@H]2C)C1 ZINC001195463875 811257703 /nfs/dbraw/zinc/25/77/03/811257703.db2.gz OUISYHGRMOWDGC-BBWFWOEESA-N 1 1 263.425 3.317 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)C=C(CC)CC)CC1 ZINC001195496900 811263709 /nfs/dbraw/zinc/26/37/09/811263709.db2.gz HESMKVPCGXZESR-UHFFFAOYSA-N 1 1 278.440 3.233 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](C[C@H]2CCC(C)(C)CO2)C1 ZINC001195954878 811305757 /nfs/dbraw/zinc/30/57/57/811305757.db2.gz MKLQVABHEMQGRT-HUUCEWRRSA-N 1 1 251.414 3.480 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](C[C@@H]2COC3(CCCCC3)O2)C1 ZINC001195953603 811306002 /nfs/dbraw/zinc/30/60/02/811306002.db2.gz BBCFRFXSVIKUKG-HZPDHXFCSA-N 1 1 279.424 3.350 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC001196017996 811311140 /nfs/dbraw/zinc/31/11/40/811311140.db2.gz GDOIEWUAAHDDTE-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[N@H+](CCCCCC)CC1 ZINC001196732794 811361381 /nfs/dbraw/zinc/36/13/81/811361381.db2.gz UCMMATBRJHHZID-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CC[C@H](C(=O)OC)[N@@H+](C)C[C@@H](C)C1CCCCC1 ZINC001196817897 811370981 /nfs/dbraw/zinc/37/09/81/811370981.db2.gz CSVWGVIYJPTPRR-UKRRQHHQSA-N 1 1 267.413 3.252 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CCC[N@H+](CCC(C)C)CC1 ZINC001196900680 811379042 /nfs/dbraw/zinc/37/90/42/811379042.db2.gz GXHCMWYSZPRFME-INIZCTEOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[N@H+](CCC(C)C)CC1 ZINC001197277683 811410119 /nfs/dbraw/zinc/41/01/19/811410119.db2.gz IYYFRDBOGORJEY-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)CCC(C)(C)C)CC1 ZINC001197527410 811428411 /nfs/dbraw/zinc/42/84/11/811428411.db2.gz BVJGVEZXUBTAOY-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C#CCC[N@@H+]1CCCN(C(=O)C[C@@H](CC)C(C)(C)C)CC1 ZINC001197802728 811453243 /nfs/dbraw/zinc/45/32/43/811453243.db2.gz SUVIPRBCMISUCP-MRXNPFEDSA-N 1 1 292.467 3.006 20 30 CGEDMO CC#CC[N@H+]1CCCN(C(=O)[C@@H](CCCC)C(C)C)CC1 ZINC001198304643 811491564 /nfs/dbraw/zinc/49/15/64/811491564.db2.gz YJDZBAAYZDCSCI-KRWDZBQOSA-N 1 1 292.467 3.006 20 30 CGEDMO CC#CC[N@@H+]1CCCN(C(=O)[C@@H](CCCC)C(C)C)CC1 ZINC001198304643 811491568 /nfs/dbraw/zinc/49/15/68/811491568.db2.gz YJDZBAAYZDCSCI-KRWDZBQOSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCC[C@@H]1CCC[N@H+]1CCOc1ccc2c(c1)OCO2 ZINC001198414403 811499296 /nfs/dbraw/zinc/49/92/96/811499296.db2.gz QCVIIOBPFVVEEO-CQSZACIVSA-N 1 1 289.375 3.225 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1cn2c(cccc2C)n1 ZINC001198457551 811505413 /nfs/dbraw/zinc/50/54/13/811505413.db2.gz CBCXVFRQMZBGTA-UHFFFAOYSA-N 1 1 257.381 3.431 20 30 CGEDMO C#C[C@H]1CCCC[N@@H+]1C[C@@H](O)Cc1ccc2ccccc2c1 ZINC001198526841 811511052 /nfs/dbraw/zinc/51/10/52/811511052.db2.gz VOBIMSSWKFEQHJ-PMACEKPBSA-N 1 1 293.410 3.231 20 30 CGEDMO N#CC1(C[N@@H+]2CCCC[C@@H]2Cc2ccc(O)cc2)CC1 ZINC001198613572 811524206 /nfs/dbraw/zinc/52/42/06/811524206.db2.gz YLJYUNYWFMMDSW-OAHLLOKOSA-N 1 1 270.376 3.093 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1ccc(OC(F)F)cc1F ZINC001200705036 811737523 /nfs/dbraw/zinc/73/75/23/811737523.db2.gz YYOHUUFEKMOZDE-UHFFFAOYSA-N 1 1 265.662 3.269 20 30 CGEDMO C=CCN1C(=O)CCC[C@@]12CCC[N@H+](CC(C)(C)C)C2 ZINC001201432565 811842596 /nfs/dbraw/zinc/84/25/96/811842596.db2.gz DXYUTOMYIATVJF-KRWDZBQOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCN1C(=O)CCC[C@@]12CCC[N@H+](C[C@@H](C)CCC)C2 ZINC001201543962 811894760 /nfs/dbraw/zinc/89/47/60/811894760.db2.gz UKEILBPRGNPTQH-WMZOPIPTSA-N 1 1 292.467 3.456 20 30 CGEDMO CCCCCCC[N@@H+]1CCn2nc(C(F)(F)F)nc2C1 ZINC001201761943 811963726 /nfs/dbraw/zinc/96/37/26/811963726.db2.gz WAJRJVGJKSJYTP-UHFFFAOYSA-N 1 1 290.333 3.083 20 30 CGEDMO CCCCCCC[N@H+]1CCn2nc(C(F)(F)F)nc2C1 ZINC001201761943 811963730 /nfs/dbraw/zinc/96/37/30/811963730.db2.gz WAJRJVGJKSJYTP-UHFFFAOYSA-N 1 1 290.333 3.083 20 30 CGEDMO CCCCCCCCCC[N@H+]1CC[C@H](O)[C@](C)(CO)C1 ZINC001201853002 811972407 /nfs/dbraw/zinc/97/24/07/811972407.db2.gz XAVMCJQVQNPZEG-IRXDYDNUSA-N 1 1 285.472 3.192 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1cc(Cl)ccc1OCC)[C@@H]1CCCO1 ZINC001202074487 812011453 /nfs/dbraw/zinc/01/14/53/812011453.db2.gz OJGSLHZTYKKXKC-ZBFHGGJFSA-N 1 1 293.794 3.009 20 30 CGEDMO N#Cc1ccc2c(c1)CC[N@H+](CCCC(F)(F)F)C2 ZINC001202377714 812080026 /nfs/dbraw/zinc/08/00/26/812080026.db2.gz LOFFZYOKNQZRLU-UHFFFAOYSA-N 1 1 268.282 3.259 20 30 CGEDMO N#Cc1ccccc1O[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001202762848 812168786 /nfs/dbraw/zinc/16/87/86/812168786.db2.gz SJGKEWYEJFVAEE-INIZCTEOSA-N 1 1 270.376 3.202 20 30 CGEDMO Cc1ccccc1C[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001203700323 812432443 /nfs/dbraw/zinc/43/24/43/812432443.db2.gz SRWSXFYTXJQUKV-UHFFFAOYSA-N 1 1 262.356 3.425 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)c(C)c1 ZINC001203731937 812444754 /nfs/dbraw/zinc/44/47/54/812444754.db2.gz OCKSGBQADYMJQX-HNNXBMFYSA-N 1 1 273.401 3.078 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCC3SC(=O)C=C3C2)c(C)c1 ZINC001203731937 812444757 /nfs/dbraw/zinc/44/47/57/812444757.db2.gz OCKSGBQADYMJQX-HNNXBMFYSA-N 1 1 273.401 3.078 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC3SC(=O)C=C3C2)c(C)c1 ZINC001203731937 812444761 /nfs/dbraw/zinc/44/47/61/812444761.db2.gz OCKSGBQADYMJQX-HNNXBMFYSA-N 1 1 273.401 3.078 20 30 CGEDMO C[N@@H+](CC/C=C/c1cccnc1)Cc1cccc(C#N)c1 ZINC001203764211 812458297 /nfs/dbraw/zinc/45/82/97/812458297.db2.gz DHQNBGXSRUFWPD-QHHAFSJGSA-N 1 1 277.371 3.489 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2)CC1 ZINC001204233417 812580278 /nfs/dbraw/zinc/58/02/78/812580278.db2.gz DMHNJBBFUIQZPT-LLVKDONJSA-N 1 1 250.292 3.090 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2)CC1 ZINC001204233417 812580282 /nfs/dbraw/zinc/58/02/82/812580282.db2.gz DMHNJBBFUIQZPT-LLVKDONJSA-N 1 1 250.292 3.090 20 30 CGEDMO CCOc1ccc(C[N@H+]2CCC[C@H](C#N)CC2)cc1OC ZINC001204360399 812620608 /nfs/dbraw/zinc/62/06/08/812620608.db2.gz QYQIFTJKNYWORA-AWEZNQCLSA-N 1 1 288.391 3.220 20 30 CGEDMO Cc1ccc2c(c1)nc(C[NH2+]CC#Cc1ccccc1)n2C ZINC001205477889 812990193 /nfs/dbraw/zinc/99/01/93/812990193.db2.gz MYAYRVNGDSBWIH-UHFFFAOYSA-N 1 1 289.382 3.023 20 30 CGEDMO Cc1ncccc1C[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC001205502372 812993223 /nfs/dbraw/zinc/99/32/23/812993223.db2.gz SMDGJODHFUGDIJ-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO Cc1ncccc1C[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC001205502372 812993228 /nfs/dbraw/zinc/99/32/28/812993228.db2.gz SMDGJODHFUGDIJ-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1cccc2c(OC)cccc12 ZINC001205569461 813006819 /nfs/dbraw/zinc/00/68/19/813006819.db2.gz SXSIYNQXPKUTEB-ZDUSSCGKSA-N 1 1 253.345 3.302 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(C)c2)C1 ZINC001205815073 813092923 /nfs/dbraw/zinc/09/29/23/813092923.db2.gz HFWQBUJCCWXNEE-NVXWUHKLSA-N 1 1 286.419 3.011 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)/C=C(/C)C2CC2)C1 ZINC001206328152 813291416 /nfs/dbraw/zinc/29/14/16/813291416.db2.gz SBQCLMGMYPAJFJ-IGWMXAJESA-N 1 1 290.451 3.134 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H]1C ZINC001206537505 813342923 /nfs/dbraw/zinc/34/29/23/813342923.db2.gz WIFIOBNCZZUIEF-NVXWUHKLSA-N 1 1 290.451 3.280 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1Nc1cccc(CC#N)c1 ZINC001206748831 813420109 /nfs/dbraw/zinc/42/01/09/813420109.db2.gz PLIUWYDLXRALSM-UHFFFAOYSA-N 1 1 266.348 3.266 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001206816478 813444820 /nfs/dbraw/zinc/44/48/20/813444820.db2.gz DVODZSKASINFEL-RHSMWYFYSA-N 1 1 290.451 3.280 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC2(C)C)C1 ZINC001206877479 813457043 /nfs/dbraw/zinc/45/70/43/813457043.db2.gz MBUVUKWHMPHSBU-OWCLPIDISA-N 1 1 294.483 3.439 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)/C=C(/C)CC)C1 ZINC001206936055 813458921 /nfs/dbraw/zinc/45/89/21/813458921.db2.gz IOUZITLAJNXYFC-UIRAFXLXSA-N 1 1 278.440 3.134 20 30 CGEDMO Cn1cc(C[N@@H+]2CCCC[C@H]2c2cccnc2)cc1C#N ZINC001207106385 813487884 /nfs/dbraw/zinc/48/78/84/813487884.db2.gz KEDHGJQKQWCLJF-KRWDZBQOSA-N 1 1 280.375 3.019 20 30 CGEDMO Cn1cc(C[N@H+]2CCCC[C@H]2c2cccnc2)cc1C#N ZINC001207106385 813487888 /nfs/dbraw/zinc/48/78/88/813487888.db2.gz KEDHGJQKQWCLJF-KRWDZBQOSA-N 1 1 280.375 3.019 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C ZINC001207113214 813488857 /nfs/dbraw/zinc/48/88/57/813488857.db2.gz DPIBZAQDARTZLU-NVXWUHKLSA-N 1 1 292.467 3.237 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC(C)(C)CC)C1 ZINC001207119462 813489203 /nfs/dbraw/zinc/48/92/03/813489203.db2.gz CDGSCBWYXKVZGE-DGCLKSJQSA-N 1 1 286.847 3.002 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC(C)(C)CC)C1 ZINC001207119462 813489208 /nfs/dbraw/zinc/48/92/08/813489208.db2.gz CDGSCBWYXKVZGE-DGCLKSJQSA-N 1 1 286.847 3.002 20 30 CGEDMO N#Cc1ccc2c(c1)CC[N@H+](CCOCc1ccccc1)C2 ZINC001207228467 813518879 /nfs/dbraw/zinc/51/88/79/813518879.db2.gz ONDVYMUKQDQOAN-UHFFFAOYSA-N 1 1 292.382 3.133 20 30 CGEDMO CCCCCCC[N@@H+](CC)CC(C)(C)N1CCOCC1 ZINC001207303284 813538053 /nfs/dbraw/zinc/53/80/53/813538053.db2.gz FQAFIIBZZFDLIN-UHFFFAOYSA-N 1 1 284.488 3.390 20 30 CGEDMO CC(C)(O)CCCC1=CC[C@H](C[N@H+]2CC[C@@H](C#N)C2)CC1 ZINC001207413869 813560475 /nfs/dbraw/zinc/56/04/75/813560475.db2.gz STQKMFXGKGDTEM-IRXDYDNUSA-N 1 1 290.451 3.500 20 30 CGEDMO COc1cccc(CC[N@H+]2CCc3cc(C#N)ccc3C2)c1 ZINC001207429403 813563718 /nfs/dbraw/zinc/56/37/18/813563718.db2.gz SGCXCZKOYKBQAB-UHFFFAOYSA-N 1 1 292.382 3.168 20 30 CGEDMO N#CCC[N@@H+](Cc1cccnc1)C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207616192 813616937 /nfs/dbraw/zinc/61/69/37/813616937.db2.gz UMQYGEOJFBWBFB-UAGQMJEPSA-N 1 1 267.376 3.009 20 30 CGEDMO N#CCC[N@H+](Cc1cccnc1)C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207616192 813616944 /nfs/dbraw/zinc/61/69/44/813616944.db2.gz UMQYGEOJFBWBFB-UAGQMJEPSA-N 1 1 267.376 3.009 20 30 CGEDMO C[C@@H](CCCC(C)(C)O)CC[N@H+]1CC[C@](C)(C#N)C1 ZINC001207683204 813635324 /nfs/dbraw/zinc/63/53/24/813635324.db2.gz NLFWXMFKZMYRGR-GOEBONIOSA-N 1 1 266.429 3.189 20 30 CGEDMO CC1(C[N@@H+](CCC#N)C2CCCCCCC2)COC1 ZINC001207794473 813652762 /nfs/dbraw/zinc/65/27/62/813652762.db2.gz HXVNZQNJIZIXAC-UHFFFAOYSA-N 1 1 264.413 3.351 20 30 CGEDMO CCCCCCC/C=C/C[N@@H+]1CCCN(C)C(=O)C1 ZINC001208118908 813697794 /nfs/dbraw/zinc/69/77/94/813697794.db2.gz RNRCQCPAMDLKJY-MDZDMXLPSA-N 1 1 266.429 3.067 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CCCN(C)C(=O)C1 ZINC001208118908 813697798 /nfs/dbraw/zinc/69/77/98/813697798.db2.gz RNRCQCPAMDLKJY-MDZDMXLPSA-N 1 1 266.429 3.067 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CC[C@H](C(=O)OC)C1 ZINC001208119400 813698047 /nfs/dbraw/zinc/69/80/47/813698047.db2.gz AOXLWCONNFXVSB-FEAKQIBJSA-N 1 1 267.413 3.398 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCn3ccnc3C2)CC1 ZINC001208170210 813723638 /nfs/dbraw/zinc/72/36/38/813723638.db2.gz FOIZWZKHDJIOKZ-OAHLLOKOSA-N 1 1 257.381 3.001 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCn3ccnc3C2)CC1 ZINC001208170210 813723642 /nfs/dbraw/zinc/72/36/42/813723642.db2.gz FOIZWZKHDJIOKZ-OAHLLOKOSA-N 1 1 257.381 3.001 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+](C)CCc2noc(C)n2)CC1 ZINC001208171704 813726236 /nfs/dbraw/zinc/72/62/36/813726236.db2.gz XOCOLYHJZSLLCP-OAHLLOKOSA-N 1 1 275.396 3.155 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@H](N(C)C3CC3)C2)CC1 ZINC001208178229 813729413 /nfs/dbraw/zinc/72/94/13/813729413.db2.gz OGYRUVWDHGXHKR-AEFFLSMTSA-N 1 1 274.452 3.458 20 30 CGEDMO C=C(C)[C@@H]1CC=C(CN2CC[C@H]([N@H+](C)C3CC3)C2)CC1 ZINC001208178229 813729418 /nfs/dbraw/zinc/72/94/18/813729418.db2.gz OGYRUVWDHGXHKR-AEFFLSMTSA-N 1 1 274.452 3.458 20 30 CGEDMO C=C(C)[C@@H]1CC=C(CN2CC[C@H]([N@@H+](C)C3CC3)C2)CC1 ZINC001208178229 813729422 /nfs/dbraw/zinc/72/94/22/813729422.db2.gz OGYRUVWDHGXHKR-AEFFLSMTSA-N 1 1 274.452 3.458 20 30 CGEDMO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)CCCCCC)C1 ZINC001208292497 813752326 /nfs/dbraw/zinc/75/23/26/813752326.db2.gz YASKSOVJQIBCGL-BRWVUGGUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CCCCC)C[C@H]1C ZINC001208498141 813763157 /nfs/dbraw/zinc/76/31/57/813763157.db2.gz LWVYOMPJNPYGGS-BFYDXBDKSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C)CC=CC2)C1 ZINC001208492878 813763995 /nfs/dbraw/zinc/76/39/95/813763995.db2.gz RUUOMHLFUNTCFO-OWCLPIDISA-N 1 1 290.451 3.134 20 30 CGEDMO COC(=O)[C@@H](C)C[N@@H+](CCC#N)C1CCCCCCC1 ZINC001208719119 813812368 /nfs/dbraw/zinc/81/23/68/813812368.db2.gz PHLCTDWWLWFQGJ-AWEZNQCLSA-N 1 1 280.412 3.124 20 30 CGEDMO C[C@@]1(F)CC[N@@H+](CCCc2cccc(C#N)c2)C[C@H]1F ZINC001208846107 813864141 /nfs/dbraw/zinc/86/41/41/813864141.db2.gz WXLYIXZGTCPDJX-HZPDHXFCSA-N 1 1 278.346 3.263 20 30 CGEDMO N#Cc1cccc(CCC[N@H+]2CC[C@@H](COCC3CC3)C2)c1 ZINC001208850863 813864540 /nfs/dbraw/zinc/86/45/40/813864540.db2.gz LNINKJMLAGSQEF-LJQANCHMSA-N 1 1 298.430 3.239 20 30 CGEDMO Cc1cnc2c(c1)C[N@H+](CCCc1cccc(C#N)c1)CC2 ZINC001208854491 813866319 /nfs/dbraw/zinc/86/63/19/813866319.db2.gz OZMXEYUCJAPFQA-UHFFFAOYSA-N 1 1 291.398 3.253 20 30 CGEDMO N#Cc1cccc(CCC[N@H+]2CC[C@]3(C2)CCCCO3)c1 ZINC001208852090 813867264 /nfs/dbraw/zinc/86/72/64/813867264.db2.gz TUFKVTUETJTPHY-SFHVURJKSA-N 1 1 284.403 3.136 20 30 CGEDMO N#Cc1cccc(CCC[N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)c1 ZINC001208851787 813867613 /nfs/dbraw/zinc/86/76/13/813867613.db2.gz LMWIVVQNSAPONE-IYBDPMFKSA-N 1 1 290.357 3.468 20 30 CGEDMO CC(C)[N@@H+](CCCCCO)CCCc1ccc(C#N)cc1 ZINC001208864711 813873724 /nfs/dbraw/zinc/87/37/24/813873724.db2.gz QIHYSJNVSZJBLU-UHFFFAOYSA-N 1 1 288.435 3.364 20 30 CGEDMO N#Cc1ccc(O[C@H]2CCC[N@@H+](C[C@H]3CCC=CO3)C2)cc1 ZINC001208885154 813882007 /nfs/dbraw/zinc/88/20/07/813882007.db2.gz KMSYGNSPANQYMR-MSOLQXFVSA-N 1 1 298.386 3.094 20 30 CGEDMO N#C[C@@H]1CCCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208939162 813903776 /nfs/dbraw/zinc/90/37/76/813903776.db2.gz GYGCFGAJPPUSFI-RBUKOAKNSA-N 1 1 297.446 3.134 20 30 CGEDMO C#C[C@H]1CCC[N@H+](CCc2ccc(F)cc2Cl)C1 ZINC001209114880 813938372 /nfs/dbraw/zinc/93/83/72/813938372.db2.gz WFXVXIFWMWCZLW-LBPRGKRZSA-N 1 1 265.759 3.367 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC001209158956 813951116 /nfs/dbraw/zinc/95/11/16/813951116.db2.gz XKMLFHLBASPLQY-KBPBESRZSA-N 1 1 280.412 3.036 20 30 CGEDMO C=CCCCC[N@@H+]1C[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001209199873 813962443 /nfs/dbraw/zinc/96/24/43/813962443.db2.gz COPNMPNSJWUYLN-CABCVRRESA-N 1 1 294.439 3.284 20 30 CGEDMO C=CCCCC[N@@H+]1CCN(C)[C@@H](c2ccccc2)C1 ZINC001209202698 813966768 /nfs/dbraw/zinc/96/67/68/813966768.db2.gz NREUWJRGCZUVBZ-QGZVFWFLSA-N 1 1 258.409 3.331 20 30 CGEDMO C=CCCCC[N@H+](CCC(=O)OC)C1CCCC1 ZINC001209203274 813967255 /nfs/dbraw/zinc/96/72/55/813967255.db2.gz VWZKHANXJZCEOU-UHFFFAOYSA-N 1 1 253.386 3.150 20 30 CGEDMO C=CCCCC[N@H+](CCC)C1CCN(C(C)=O)CC1 ZINC001209207345 813968036 /nfs/dbraw/zinc/96/80/36/813968036.db2.gz UQSLURTWGIXHEL-UHFFFAOYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCCCC[N@@H+]1CCOC[C@H]1CCC(=O)OC(C)(C)C ZINC001209207730 813968612 /nfs/dbraw/zinc/96/86/12/813968612.db2.gz DBNVZPBWZGGZHK-OAHLLOKOSA-N 1 1 297.439 3.165 20 30 CGEDMO N#Cc1ccc2c(c1)CC[N@H+](CCc1ccc(F)c(F)c1)C2 ZINC001209239732 813980084 /nfs/dbraw/zinc/98/00/84/813980084.db2.gz MHYXCBWYLZKGGW-UHFFFAOYSA-N 1 1 298.336 3.437 20 30 CGEDMO C#CCCC[N@H+](CC)C[C@H]1CC[C@H](CC(=O)OCC)CC1 ZINC001209268050 813989538 /nfs/dbraw/zinc/98/95/38/813989538.db2.gz RBDPCXDATRTXNW-QAQDUYKDSA-N 1 1 293.451 3.481 20 30 CGEDMO C=CCCCCC[N@H+]1Cc2nn(CC)cc2[C@@H](COC)C1 ZINC001209422459 814025036 /nfs/dbraw/zinc/02/50/36/814025036.db2.gz BJICJWYNJRVIEE-OAHLLOKOSA-N 1 1 291.439 3.195 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](CC(=O)OCC)C1 ZINC001209423104 814025652 /nfs/dbraw/zinc/02/56/52/814025652.db2.gz FYFNESYANYFGSO-OAHLLOKOSA-N 1 1 267.413 3.398 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@H](COCC2CC2)C1 ZINC001209428353 814027851 /nfs/dbraw/zinc/02/78/51/814027851.db2.gz FIBHGZNWPFBXFC-INIZCTEOSA-N 1 1 251.414 3.481 20 30 CGEDMO C=CCCCCC[N@H+](C)C1CCN(C(=O)OCC)CC1 ZINC001209428367 814028770 /nfs/dbraw/zinc/02/87/70/814028770.db2.gz FRXSZEBUXCGMDM-UHFFFAOYSA-N 1 1 282.428 3.286 20 30 CGEDMO C=CCCCCCC[NH+]1CC(NC(=O)OC(C)(C)C)C1 ZINC001209431810 814031162 /nfs/dbraw/zinc/03/11/62/814031162.db2.gz UAPWDZSIBMKYMU-UHFFFAOYSA-N 1 1 282.428 3.332 20 30 CGEDMO C=CCCCCCC[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC001209431849 814031972 /nfs/dbraw/zinc/03/19/72/814031972.db2.gz UZBUKXKLGVNSCR-LBPRGKRZSA-N 1 1 265.319 3.122 20 30 CGEDMO C=CCCCCCC[N@@H+]1CCC[C@@](O)(CF)CC1 ZINC001209431608 814032025 /nfs/dbraw/zinc/03/20/25/814032025.db2.gz QMOQPBCMHDAWBJ-HNNXBMFYSA-N 1 1 257.393 3.309 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](Oc2ccnc(OC)c2)C1 ZINC001209432404 814033704 /nfs/dbraw/zinc/03/37/04/814033704.db2.gz DVMUMEMHRYKUPH-INIZCTEOSA-N 1 1 290.407 3.290 20 30 CGEDMO C=CCCCCCC[N@@H+]1CC[C@@H](Oc2ncc(F)cn2)C1 ZINC001209438042 814036522 /nfs/dbraw/zinc/03/65/22/814036522.db2.gz CUINCCGCAUZOKL-OAHLLOKOSA-N 1 1 293.386 3.205 20 30 CGEDMO C=CCCCCCC[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C)C1 ZINC001209438603 814039367 /nfs/dbraw/zinc/03/93/67/814039367.db2.gz PAIAWPKJBVTNPS-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCCCCCCC[N@H+]1CCn2cnnc2C1 ZINC001209443582 814043953 /nfs/dbraw/zinc/04/39/53/814043953.db2.gz WBQYKIPTIMZJNJ-UHFFFAOYSA-N 1 1 262.401 3.010 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC001209443584 814044351 /nfs/dbraw/zinc/04/43/51/814044351.db2.gz WCCMDPDMGABLOF-LSDHHAIUSA-N 1 1 257.393 3.308 20 30 CGEDMO C=CCCCCCCCC[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC001209445771 814046083 /nfs/dbraw/zinc/04/60/83/814046083.db2.gz NBZMKYGSVANMBL-OAHLLOKOSA-N 1 1 280.412 3.040 20 30 CGEDMO Cn1nc2ccccc2c1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC001209538938 814078408 /nfs/dbraw/zinc/07/84/08/814078408.db2.gz FHZSZBKRURJEJJ-UHFFFAOYSA-N 1 1 290.370 3.077 20 30 CGEDMO COc1cc(C#N)c(F)cc1Nc1ccc2[nH]c[nH+]c2c1 ZINC001209852264 814169414 /nfs/dbraw/zinc/16/94/14/814169414.db2.gz ZCBHZRXHMZZZFL-UHFFFAOYSA-N 1 1 282.278 3.326 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)CC(C)C)C1 ZINC001210112550 814295917 /nfs/dbraw/zinc/29/59/17/814295917.db2.gz XIWFAHXWOPAYLU-OWCLPIDISA-N 1 1 280.456 3.071 20 30 CGEDMO C[C@@H]1CC(=O)C=C(c2cc(N)c(C(F)(F)F)c[nH+]2)C1 ZINC001242737311 823116634 /nfs/dbraw/zinc/11/66/34/823116634.db2.gz ODXPBSBHQMGJQY-ZETCQYMHSA-N 1 1 270.254 3.065 20 30 CGEDMO C=C(C)c1cccc(NC(=O)NCC[N@@H+]2CCC[C@H]2C)c1 ZINC001210299382 814391370 /nfs/dbraw/zinc/39/13/70/814391370.db2.gz ICDNFECUNWYYPY-CQSZACIVSA-N 1 1 287.407 3.326 20 30 CGEDMO Cc1ccc(Nc2cccc3[nH+]cn(C)c32)c(C#N)c1 ZINC001210568457 814532528 /nfs/dbraw/zinc/53/25/28/814532528.db2.gz KAJXYWVFMJWRMH-UHFFFAOYSA-N 1 1 262.316 3.497 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)C(C)(C)C)C1 ZINC001210620849 814560420 /nfs/dbraw/zinc/56/04/20/814560420.db2.gz YJTKDRCJKSSKJN-RBSFLKMASA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CC(C)C)[C@@H]2C1 ZINC001221234775 816307385 /nfs/dbraw/zinc/30/73/85/816307385.db2.gz SGEQYWGIUULNKC-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)CCCC)[C@@H]2C1 ZINC001221521208 816318016 /nfs/dbraw/zinc/31/80/16/816318016.db2.gz GMIJHHGFJUUDDI-GVDBMIGSSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)/C=C(/C)CC)[C@@H]2C1 ZINC001221533221 816319525 /nfs/dbraw/zinc/31/95/25/816319525.db2.gz CMKDQLYYHMUYOV-GRGYJCOVSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCC(=C)C)[C@@H]2C1 ZINC001221583069 816321383 /nfs/dbraw/zinc/32/13/83/816321383.db2.gz CRUHILUMIBITNV-BRWVUGGUSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC/C=C\CC)C[C@H]21 ZINC001221731844 816323213 /nfs/dbraw/zinc/32/32/13/816323213.db2.gz SRFPDWKDHCGRRQ-ZJBFNYKTSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]2CCN(C(=O)CC)C[C@@H]21 ZINC001222152314 816361864 /nfs/dbraw/zinc/36/18/64/816361864.db2.gz SIHGYITUWAXJNF-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO CCCCCCCCCNC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC001223275012 816595537 /nfs/dbraw/zinc/59/55/37/816595537.db2.gz SUTAKIJBVGHTHJ-HZPDHXFCSA-N 1 1 295.471 3.083 20 30 CGEDMO C=CCCCCCO[C@H]1[C@@H]2CCC[C@H]1C[N@H+](C)C2 ZINC001224428579 816799985 /nfs/dbraw/zinc/79/99/85/816799985.db2.gz URCDZDNLGZKBHV-ZSHCYNCHSA-N 1 1 251.414 3.480 20 30 CGEDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1cc(Cl)cc(C#N)c1 ZINC001225700489 817147983 /nfs/dbraw/zinc/14/79/83/817147983.db2.gz WDQZMTRIZFCLQB-YWVIFJGQSA-N 1 1 290.794 3.321 20 30 CGEDMO Cc1cc(C#N)cc(C)c1O[C@@H]1CCC[N@H+](C)CC1 ZINC001226522620 817384952 /nfs/dbraw/zinc/38/49/52/817384952.db2.gz YWUMLJZHCYALTK-OAHLLOKOSA-N 1 1 258.365 3.038 20 30 CGEDMO Cc1ccc(C#N)c(O[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001226757583 817454037 /nfs/dbraw/zinc/45/40/37/817454037.db2.gz YNXQQWIULFKGBA-HNNXBMFYSA-N 1 1 258.365 3.118 20 30 CGEDMO Cc1cc(O[C@@H]2CCC[N@H+](C(C)C)C2)cc(C)c1C#N ZINC001226833876 817479188 /nfs/dbraw/zinc/47/91/88/817479188.db2.gz OOQQPYATVHLMCC-OAHLLOKOSA-N 1 1 272.392 3.427 20 30 CGEDMO Cc1cc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cnc1C#N ZINC001227351026 817631030 /nfs/dbraw/zinc/63/10/30/817631030.db2.gz VABJMJZPXOCLPZ-FICVDOATSA-N 1 1 285.391 3.044 20 30 CGEDMO C=CCCCCCCNC(=O)N(CC)[C@@H]1CC[N@@H+](CC)C1 ZINC001228040153 817793261 /nfs/dbraw/zinc/79/32/61/817793261.db2.gz DIBTXBGYJMAWFQ-MRXNPFEDSA-N 1 1 295.471 3.249 20 30 CGEDMO CC[N@H+]1CCC[C@H](Oc2ccc(/C=C\C(C)=O)cc2)C1 ZINC001228493963 817921216 /nfs/dbraw/zinc/92/12/16/817921216.db2.gz HGMVPYIZRKWYGM-TUYSUELWSA-N 1 1 273.376 3.152 20 30 CGEDMO CC(=O)/C=C/c1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001228496802 817922638 /nfs/dbraw/zinc/92/26/38/817922638.db2.gz PCWGXRHWIWBUIJ-KZLXMIGVSA-N 1 1 285.387 3.293 20 30 CGEDMO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1C/C=C\c1ccccc1 ZINC001231112541 818033193 /nfs/dbraw/zinc/03/31/93/818033193.db2.gz CPRGLWOYPKHEGF-IBWPDUFMSA-N 1 1 298.430 3.199 20 30 CGEDMO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1C/C=C\c1ccccc1 ZINC001231112541 818033201 /nfs/dbraw/zinc/03/32/01/818033201.db2.gz CPRGLWOYPKHEGF-IBWPDUFMSA-N 1 1 298.430 3.199 20 30 CGEDMO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1CCCC(C)(C)C ZINC001231169272 818050420 /nfs/dbraw/zinc/05/04/20/818050420.db2.gz FESTYZKSSMRXAK-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)/C=C/C(C)(C)C ZINC001231285269 818069278 /nfs/dbraw/zinc/06/92/78/818069278.db2.gz ZWNOGXAQTSHYPR-AOOXPWSASA-N 1 1 292.467 3.476 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCCNC(=O)c1sccc1C ZINC001231285498 818069350 /nfs/dbraw/zinc/06/93/50/818069350.db2.gz GNVVVJXKTNETNY-UHFFFAOYSA-N 1 1 280.437 3.074 20 30 CGEDMO N#CCC1C[NH+](Cc2ccccc2C#Cc2ccccc2)C1 ZINC001231577217 818126666 /nfs/dbraw/zinc/12/66/66/818126666.db2.gz QXPKZRJPEKQVHF-UHFFFAOYSA-N 1 1 286.378 3.432 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@@](C)(CO)CC2)c1 ZINC001231620737 818137893 /nfs/dbraw/zinc/13/78/93/818137893.db2.gz AFQBFLOVSGLBNC-GOSISDBHSA-N 1 1 289.419 3.236 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CCCC(F)(F)[C@H](F)C2)c1 ZINC001231658434 818150779 /nfs/dbraw/zinc/15/07/79/818150779.db2.gz WLSGRSZQZCWHMB-CQSZACIVSA-N 1 1 267.294 3.237 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CCCC(F)(F)[C@H](F)C2)c1 ZINC001231658434 818150782 /nfs/dbraw/zinc/15/07/82/818150782.db2.gz WLSGRSZQZCWHMB-CQSZACIVSA-N 1 1 267.294 3.237 20 30 CGEDMO C#Cc1cccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c1 ZINC001231660990 818152611 /nfs/dbraw/zinc/15/26/11/818152611.db2.gz MLGJUCWWNUSNGM-UHFFFAOYSA-N 1 1 278.399 3.366 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(O)c2)CC1 ZINC001231733860 818162335 /nfs/dbraw/zinc/16/23/35/818162335.db2.gz JQMIRKSRHIJRQM-NSHDSACASA-N 1 1 264.756 3.171 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2ccc(Cl)c(O)c2)CC1 ZINC001231733860 818162336 /nfs/dbraw/zinc/16/23/36/818162336.db2.gz JQMIRKSRHIJRQM-NSHDSACASA-N 1 1 264.756 3.171 20 30 CGEDMO COc1cccc2[nH]cc(C[N@H+]3CCC[C@H](CC#N)C3)c21 ZINC001232037462 818236915 /nfs/dbraw/zinc/23/69/15/818236915.db2.gz WUSUXTWIJJWKOK-CYBMUJFWSA-N 1 1 283.375 3.302 20 30 CGEDMO N#Cc1ccc(C[NH+]2CCC(F)CC2)cc1Cl ZINC001232112568 818258174 /nfs/dbraw/zinc/25/81/74/818258174.db2.gz XXBRHIMCURIWIJ-UHFFFAOYSA-N 1 1 252.720 3.146 20 30 CGEDMO CC(C)[N@@H+](C)[C@@H]1CCN(Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232118131 818259863 /nfs/dbraw/zinc/25/98/63/818259863.db2.gz JFCSEFODLWUNFX-OAHLLOKOSA-N 1 1 291.826 3.126 20 30 CGEDMO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)c(Cl)c1 ZINC001232116661 818260009 /nfs/dbraw/zinc/26/00/09/818260009.db2.gz ONCFDDJXEPURPR-YIONKMFJSA-N 1 1 290.794 3.353 20 30 CGEDMO N#Cc1ccccc1OC1CC[NH+](Cc2cnsc2)CC1 ZINC001232230960 818287238 /nfs/dbraw/zinc/28/72/38/818287238.db2.gz YISOOGSDMDBGCT-UHFFFAOYSA-N 1 1 299.399 3.058 20 30 CGEDMO N#Cc1ccnc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)c1 ZINC001232476117 818364811 /nfs/dbraw/zinc/36/48/11/818364811.db2.gz WZWSAMQNCSINRH-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1ccnc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)c1 ZINC001232476117 818364816 /nfs/dbraw/zinc/36/48/16/818364816.db2.gz WZWSAMQNCSINRH-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2C#N)CCC[C@@]1(C)O ZINC001232604702 818394095 /nfs/dbraw/zinc/39/40/95/818394095.db2.gz FYUWEBBYDQLFLZ-MLGOLLRUSA-N 1 1 292.810 3.195 20 30 CGEDMO N#Cc1ccc([O-])c(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC001232678503 818417599 /nfs/dbraw/zinc/41/75/99/818417599.db2.gz AXIXLRZNZULFJB-HOCLYGCPSA-N 1 1 270.376 3.418 20 30 CGEDMO CCC[C@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1[O-] ZINC001232679179 818417915 /nfs/dbraw/zinc/41/79/15/818417915.db2.gz GBDGFKVNWKWVFM-HNNXBMFYSA-N 1 1 258.365 3.418 20 30 CGEDMO COc1cc(O)cc(C[N@H+](CCC#N)C2CCCC2)c1 ZINC001232803718 818445198 /nfs/dbraw/zinc/44/51/98/818445198.db2.gz PGFLZZZGJNWUCH-UHFFFAOYSA-N 1 1 274.364 3.059 20 30 CGEDMO COc1cc(O)cc(C[N@@H+](CCC#N)C2CCCC2)c1 ZINC001232803718 818445202 /nfs/dbraw/zinc/44/52/02/818445202.db2.gz PGFLZZZGJNWUCH-UHFFFAOYSA-N 1 1 274.364 3.059 20 30 CGEDMO C[N@H+](CCC(=O)c1ccccc1)Cc1ccc(C#N)s1 ZINC001232845631 818454188 /nfs/dbraw/zinc/45/41/88/818454188.db2.gz GUOCSWCFASWQSF-UHFFFAOYSA-N 1 1 284.384 3.325 20 30 CGEDMO C[N@@H+](CCC(=O)c1ccccc1)Cc1ccc(C#N)s1 ZINC001232845631 818454192 /nfs/dbraw/zinc/45/41/92/818454192.db2.gz GUOCSWCFASWQSF-UHFFFAOYSA-N 1 1 284.384 3.325 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)s1)C1CCOCC1 ZINC001232846188 818455175 /nfs/dbraw/zinc/45/51/75/818455175.db2.gz BETDBBNQUBINMX-UHFFFAOYSA-N 1 1 264.394 3.011 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)n1 ZINC001232925801 818475716 /nfs/dbraw/zinc/47/57/16/818475716.db2.gz QMAWSEVTQGIYEZ-CZUORRHYSA-N 1 1 255.365 3.108 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@@H](c3ccccn3)C2)c(C#N)c1 ZINC001232965957 818484081 /nfs/dbraw/zinc/48/40/81/818484081.db2.gz CAFKYPCWGXNXBO-MRXNPFEDSA-N 1 1 277.371 3.251 20 30 CGEDMO Cc1cc(C)c(C[N@H+](CCC#N)C2CCCC2)cn1 ZINC001233005498 818499038 /nfs/dbraw/zinc/49/90/38/818499038.db2.gz IIOYPIKUDYVPKF-UHFFFAOYSA-N 1 1 257.381 3.357 20 30 CGEDMO Cc1cc(C)c(C[N@@H+](CCC#N)C2CCCC2)cn1 ZINC001233005498 818499043 /nfs/dbraw/zinc/49/90/43/818499043.db2.gz IIOYPIKUDYVPKF-UHFFFAOYSA-N 1 1 257.381 3.357 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001233080686 818519566 /nfs/dbraw/zinc/51/95/66/818519566.db2.gz SYPNGWGOZJFZBX-UHFFFAOYSA-N 1 1 287.366 3.297 20 30 CGEDMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233100545 818521228 /nfs/dbraw/zinc/52/12/28/818521228.db2.gz JPENXQZJTZNMDR-QWHCGFSZSA-N 1 1 289.398 3.384 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Cl)o1 ZINC001233316579 818576737 /nfs/dbraw/zinc/57/67/37/818576737.db2.gz PCJCQBJOCCAEBH-RTCCRHLQSA-N 1 1 250.729 3.200 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)o1 ZINC001233316579 818576741 /nfs/dbraw/zinc/57/67/41/818576741.db2.gz PCJCQBJOCCAEBH-RTCCRHLQSA-N 1 1 250.729 3.200 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cnc2cccc(Cl)n12 ZINC001233359220 818597509 /nfs/dbraw/zinc/59/75/09/818597509.db2.gz NJUQZYJLIGYNEW-UHFFFAOYSA-N 1 1 263.772 3.386 20 30 CGEDMO C=CC[N@@H+](Cc1cc(F)c(F)cc1N)C(C)(C)C ZINC001233381984 818604920 /nfs/dbraw/zinc/60/49/20/818604920.db2.gz ATJLUBCEIJTXDB-UHFFFAOYSA-N 1 1 254.324 3.334 20 30 CGEDMO COc1ccccc1[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1[O-] ZINC001233387179 818607060 /nfs/dbraw/zinc/60/70/60/818607060.db2.gz YJXBQAXGAOGNLJ-ZDUSSCGKSA-N 1 1 296.370 3.465 20 30 CGEDMO COc1ccccc1[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1O ZINC001233387179 818607064 /nfs/dbraw/zinc/60/70/64/818607064.db2.gz YJXBQAXGAOGNLJ-ZDUSSCGKSA-N 1 1 296.370 3.465 20 30 CGEDMO COc1ccccc1[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1O ZINC001233387179 818607071 /nfs/dbraw/zinc/60/70/71/818607071.db2.gz YJXBQAXGAOGNLJ-ZDUSSCGKSA-N 1 1 296.370 3.465 20 30 CGEDMO CC[NH+]1CC(Oc2cccc(-c3ccc(C#N)cc3)c2)C1 ZINC001233512234 818631079 /nfs/dbraw/zinc/63/10/79/818631079.db2.gz LSXKIGXXXLCUBR-UHFFFAOYSA-N 1 1 278.355 3.308 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CC(C)C1 ZINC001233539228 818636119 /nfs/dbraw/zinc/63/61/19/818636119.db2.gz NNYAQCIYTVSTPI-OFLPRAFFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCc1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001233591770 818652433 /nfs/dbraw/zinc/65/24/33/818652433.db2.gz BECOABBQQKQCMS-QLPKVWCKSA-N 1 1 257.377 3.419 20 30 CGEDMO C[N@H+]1CCC[C@@H](Oc2cc(C#N)cc(C(F)(F)F)c2)CC1 ZINC001233659533 818672390 /nfs/dbraw/zinc/67/23/90/818672390.db2.gz XBOKNNPJXHZBRI-CYBMUJFWSA-N 1 1 298.308 3.440 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)CC1(C)CCCC1 ZINC001234077610 818773123 /nfs/dbraw/zinc/77/31/23/818773123.db2.gz CBHOOHJUMZZXBD-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO CCCCCCCCN1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235005734 818976450 /nfs/dbraw/zinc/97/64/50/818976450.db2.gz GQIDGIVFTUQLGT-QGZVFWFLSA-N 1 1 282.472 3.049 20 30 CGEDMO C[N@@H+](Cc1ccccc1O)Cc1ccccc1CC#N ZINC001235524883 819114041 /nfs/dbraw/zinc/11/40/41/819114041.db2.gz BSMWXCJVSUBMRL-UHFFFAOYSA-N 1 1 266.344 3.090 20 30 CGEDMO C[N@H+](CC(=O)c1ccccc1)Cc1ccccc1CC#N ZINC001235525872 819114458 /nfs/dbraw/zinc/11/44/58/819114458.db2.gz SBCYGWOBLDUCHH-UHFFFAOYSA-N 1 1 278.355 3.067 20 30 CGEDMO C[N@@H+](CC(=O)c1ccccc1)Cc1ccccc1CC#N ZINC001235525872 819114461 /nfs/dbraw/zinc/11/44/61/819114461.db2.gz SBCYGWOBLDUCHH-UHFFFAOYSA-N 1 1 278.355 3.067 20 30 CGEDMO N#CCc1ccccc1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC001235522231 819114785 /nfs/dbraw/zinc/11/47/85/819114785.db2.gz BAARXRMLZYQWDR-GOSISDBHSA-N 1 1 277.371 3.485 20 30 CGEDMO N#Cc1cc(F)c(C[N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)c(F)c1 ZINC001235651406 819130315 /nfs/dbraw/zinc/13/03/15/819130315.db2.gz MKSKJMNFSJGTDT-PHIMTYICSA-N 1 1 298.283 3.314 20 30 CGEDMO N#Cc1cc(F)c(C[N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)c(F)c1 ZINC001235651406 819130321 /nfs/dbraw/zinc/13/03/21/819130321.db2.gz MKSKJMNFSJGTDT-PHIMTYICSA-N 1 1 298.283 3.314 20 30 CGEDMO N#Cc1cccc(C2CCN(CC[C@@H]3CCCC[NH2+]3)CC2)c1 ZINC001235718370 819151672 /nfs/dbraw/zinc/15/16/72/819151672.db2.gz FZHAWNHRYPCZCB-IBGZPJMESA-N 1 1 297.446 3.270 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H]1C=CCCC1 ZINC001235757518 819162124 /nfs/dbraw/zinc/16/21/24/819162124.db2.gz HUTZMWCYGRZVKS-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(OCc2ccccc2)c(F)c1 ZINC001235777661 819167435 /nfs/dbraw/zinc/16/74/35/819167435.db2.gz XAUOWNANRKYVNQ-UHFFFAOYSA-N 1 1 283.346 3.470 20 30 CGEDMO C=CCCCCCCCC[N@H+]1CC[C@@H](F)[C@@H](N)C1 ZINC001235905851 819216224 /nfs/dbraw/zinc/21/62/24/819216224.db2.gz LFLRHGDLQOKALS-CABCVRRESA-N 1 1 256.409 3.274 20 30 CGEDMO C=CCCCCCCCCN1CC[C@@H](F)[C@@H]([NH3+])C1 ZINC001235905851 819216231 /nfs/dbraw/zinc/21/62/31/819216231.db2.gz LFLRHGDLQOKALS-CABCVRRESA-N 1 1 256.409 3.274 20 30 CGEDMO CCCCCCC/C=C/CN1CC[C@H](C[NH2+]C)C1 ZINC001236068203 819298167 /nfs/dbraw/zinc/29/81/67/819298167.db2.gz VTOFWKDPGSIRQK-ZNFPLGDCSA-N 1 1 252.446 3.444 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CCc3cc(N)ccc3C2)c1O ZINC001236105865 819322339 /nfs/dbraw/zinc/32/23/39/819322339.db2.gz URXWULNKDPMFJH-UHFFFAOYSA-N 1 1 294.398 3.261 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]3C[C@H]32)cc1Br ZINC001236865800 819626462 /nfs/dbraw/zinc/62/64/62/819626462.db2.gz GTZKTUVGXRPRGU-SMDDNHRTSA-N 1 1 291.192 3.305 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]3C[C@H]32)cc1Br ZINC001236865800 819626466 /nfs/dbraw/zinc/62/64/66/819626466.db2.gz GTZKTUVGXRPRGU-SMDDNHRTSA-N 1 1 291.192 3.305 20 30 CGEDMO Cn1cc(C[N@H+]2CCCC23CC3)c2cc(C#N)ccc21 ZINC001237466208 819756873 /nfs/dbraw/zinc/75/68/73/819756873.db2.gz KYNSTWRYHAYFIO-UHFFFAOYSA-N 1 1 265.360 3.178 20 30 CGEDMO C[C@H]1CCCC[N@@H+](Cc2cc(C#N)c(F)cc2F)C1 ZINC001237525556 819771693 /nfs/dbraw/zinc/77/16/93/819771693.db2.gz SGKXSIVXAICNJE-NSHDSACASA-N 1 1 264.319 3.458 20 30 CGEDMO CC1(C)CC[N@H+](Cc2cc(C#N)c(F)cc2F)C1 ZINC001237527515 819772564 /nfs/dbraw/zinc/77/25/64/819772564.db2.gz VHLUSEQMLDXUBL-UHFFFAOYSA-N 1 1 250.292 3.068 20 30 CGEDMO CC1(C)CC[N@@H+](Cc2cc(C#N)c(F)cc2F)C1 ZINC001237527515 819772568 /nfs/dbraw/zinc/77/25/68/819772568.db2.gz VHLUSEQMLDXUBL-UHFFFAOYSA-N 1 1 250.292 3.068 20 30 CGEDMO C[C@H]1CCC[N@H+](Cc2cc(C#N)c(F)cc2F)C1 ZINC001237529682 819772767 /nfs/dbraw/zinc/77/27/67/819772767.db2.gz GTRPTFOUCLJCPX-JTQLQIEISA-N 1 1 250.292 3.068 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2cc(C#N)c(F)cc2F)C1 ZINC001237529682 819772775 /nfs/dbraw/zinc/77/27/75/819772775.db2.gz GTRPTFOUCLJCPX-JTQLQIEISA-N 1 1 250.292 3.068 20 30 CGEDMO CC[N@@H+](Cc1cn2cc(C#N)ccc2n1)Cc1ccccc1 ZINC001237605401 819785441 /nfs/dbraw/zinc/78/54/41/819785441.db2.gz VXBDKSDVIMAQDJ-UHFFFAOYSA-N 1 1 290.370 3.228 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(OCC)cc2F)C1 ZINC001237635544 819793621 /nfs/dbraw/zinc/79/36/21/819793621.db2.gz SRUBHPCLGCONGJ-ZDUSSCGKSA-N 1 1 261.340 3.070 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)c1 ZINC001237747461 819834567 /nfs/dbraw/zinc/83/45/67/819834567.db2.gz BYLARYFYBDTOJV-HOCLYGCPSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)c1 ZINC001237747461 819834581 /nfs/dbraw/zinc/83/45/81/819834581.db2.gz BYLARYFYBDTOJV-HOCLYGCPSA-N 1 1 290.794 3.213 20 30 CGEDMO COc1cc(-c2ccc[nH]2)[nH]c1C[NH+]1CCC(C)(C#N)CC1 ZINC001237882467 819867938 /nfs/dbraw/zinc/86/79/38/819867938.db2.gz OTCGXONDGGRZEX-UHFFFAOYSA-N 1 1 298.390 3.144 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](Cc2ccccc2C2CCOCC2)C1 ZINC001237912705 819877965 /nfs/dbraw/zinc/87/79/65/819877965.db2.gz ILBRIQAGXIBSOY-GOSISDBHSA-N 1 1 284.403 3.316 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](Cc2ccccc2C2CCOCC2)C1 ZINC001237912705 819877973 /nfs/dbraw/zinc/87/79/73/819877973.db2.gz ILBRIQAGXIBSOY-GOSISDBHSA-N 1 1 284.403 3.316 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc(O)cc3)n2)C1 ZINC001237983777 819902431 /nfs/dbraw/zinc/90/24/31/819902431.db2.gz QCONDFYNASPXON-CYBMUJFWSA-N 1 1 298.411 3.361 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2csc(-c3ccc(O)cc3)n2)C1 ZINC001237983777 819902438 /nfs/dbraw/zinc/90/24/38/819902438.db2.gz QCONDFYNASPXON-CYBMUJFWSA-N 1 1 298.411 3.361 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](C#N)CC2)c(Cl)c1 ZINC001238086124 819928222 /nfs/dbraw/zinc/92/82/22/819928222.db2.gz VOAOKCVRQJYIFB-GFCCVEGCSA-N 1 1 273.767 3.337 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](C#N)CC2)c(Cl)c1 ZINC001238086124 819928226 /nfs/dbraw/zinc/92/82/26/819928226.db2.gz VOAOKCVRQJYIFB-GFCCVEGCSA-N 1 1 273.767 3.337 20 30 CGEDMO N#Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)ccc1Cl ZINC001238191112 819950501 /nfs/dbraw/zinc/95/05/01/819950501.db2.gz ILFDMIRVDSLYNP-XMQYKBBCSA-N 1 1 285.778 3.478 20 30 CGEDMO N#Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)ccc1Cl ZINC001238191112 819950505 /nfs/dbraw/zinc/95/05/05/819950505.db2.gz ILFDMIRVDSLYNP-XMQYKBBCSA-N 1 1 285.778 3.478 20 30 CGEDMO Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cnc1OC(C)C ZINC001238388103 819984455 /nfs/dbraw/zinc/98/44/55/819984455.db2.gz WEBASHUMTNKKQM-XGBSXSJOSA-N 1 1 299.418 3.444 20 30 CGEDMO COc1cc(C[N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)ccc1C#N ZINC001238409662 819987619 /nfs/dbraw/zinc/98/76/19/819987619.db2.gz JFZOQLKWXIPIEL-KGLIPLIRSA-N 1 1 292.329 3.044 20 30 CGEDMO C=CC[N@@H+](C)Cc1ccc(F)c(OC(C)C)c1F ZINC001238530117 820038884 /nfs/dbraw/zinc/03/88/84/820038884.db2.gz PPWKCECASLWCER-UHFFFAOYSA-N 1 1 255.308 3.370 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(F)c(OC(C)C)c1F ZINC001238530117 820038897 /nfs/dbraw/zinc/03/88/97/820038897.db2.gz PPWKCECASLWCER-UHFFFAOYSA-N 1 1 255.308 3.370 20 30 CGEDMO C#CC[N@H+](C)Cc1cc(Cl)c(Br)cc1C ZINC001238579497 820049986 /nfs/dbraw/zinc/04/99/86/820049986.db2.gz VDASGSKFCXXHCI-UHFFFAOYSA-N 1 1 286.600 3.476 20 30 CGEDMO N#CC1CC[NH+](Cc2cc(F)cc(N3CCCC3)c2)CC1 ZINC001238699093 820089909 /nfs/dbraw/zinc/08/99/09/820089909.db2.gz NHMWJTKDLPIQFS-UHFFFAOYSA-N 1 1 287.382 3.161 20 30 CGEDMO CCc1cc(C[N@@H+]2CC[C@@](C)(F)[C@H](F)C2)ccc1C#N ZINC001238767081 820112604 /nfs/dbraw/zinc/11/26/04/820112604.db2.gz RPCCWGSVHRCMMD-HZPDHXFCSA-N 1 1 278.346 3.393 20 30 CGEDMO CCc1cc(C[N@H+]2CC[C@@](C)(F)[C@H](F)C2)ccc1C#N ZINC001238767081 820112609 /nfs/dbraw/zinc/11/26/09/820112609.db2.gz RPCCWGSVHRCMMD-HZPDHXFCSA-N 1 1 278.346 3.393 20 30 CGEDMO CCc1cc(C[N@@H+](C)CCc2ccncc2)ccc1C#N ZINC001238774540 820115092 /nfs/dbraw/zinc/11/50/92/820115092.db2.gz JKKZMCGJGXARTK-UHFFFAOYSA-N 1 1 279.387 3.190 20 30 CGEDMO C=C/C(=[NH+]\COC)c1ccc(N(C)C2CCCCC2)nc1 ZINC001243595513 823460953 /nfs/dbraw/zinc/46/09/53/823460953.db2.gz HZDUXHJOYDXDMV-KNTRCKAVSA-N 1 1 287.407 3.430 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1c1ccc(C2=CCOC2)cc1 ZINC001239493775 820344047 /nfs/dbraw/zinc/34/40/47/820344047.db2.gz DJASXSKUXZPUBQ-KRWDZBQOSA-N 1 1 255.361 3.423 20 30 CGEDMO N#Cc1ccc(-c2cc(N)c(C(F)(F)F)c[nH+]2)cc1F ZINC001240143220 820850531 /nfs/dbraw/zinc/85/05/31/820850531.db2.gz TYTDWFQGJMGWCQ-UHFFFAOYSA-N 1 1 281.212 3.360 20 30 CGEDMO N#CCc1ccncc1C1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001240386456 821012103 /nfs/dbraw/zinc/01/21/03/821012103.db2.gz CSWSIRWHJSUMPG-UHFFFAOYSA-N 1 1 289.382 3.437 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2ccnc(C#N)c2)nc1 ZINC001241182797 821621031 /nfs/dbraw/zinc/62/10/31/821621031.db2.gz CIJJDVGIFGGPBO-CQSZACIVSA-N 1 1 292.386 3.390 20 30 CGEDMO Cc1cnc(C2=CC[N@@H+](C)CC2)c(C#C[Si](C)(C)C)c1 ZINC001241310363 821722568 /nfs/dbraw/zinc/72/25/68/821722568.db2.gz CEDYZXOJIDRQBW-UHFFFAOYSA-N 1 1 284.479 3.338 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2cncc(C#N)c2)nc1 ZINC001242272156 822933147 /nfs/dbraw/zinc/93/31/47/822933147.db2.gz RYEGOJYTOKLHDB-CQSZACIVSA-N 1 1 292.386 3.390 20 30 CGEDMO COCC[N@@H+](C)Cc1ccnc(-c2cc(C#N)ccc2C)c1 ZINC001242544372 823025963 /nfs/dbraw/zinc/02/59/63/823025963.db2.gz YJYYYBBNPMGGQR-UHFFFAOYSA-N 1 1 295.386 3.007 20 30 CGEDMO N#Cc1cc(F)ccc1-c1ccccc1C[NH+]1CCOCC1 ZINC001242583417 823044306 /nfs/dbraw/zinc/04/43/06/823044306.db2.gz WHFBFOTWIXBSQG-UHFFFAOYSA-N 1 1 296.345 3.197 20 30 CGEDMO C#Cc1ccc(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)nc1 ZINC001339579867 936378524 /nfs/dbraw/zinc/37/85/24/936378524.db2.gz YRTZKDKSICFDFQ-WMZOPIPTSA-N 1 1 297.446 3.154 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001340616690 936409287 /nfs/dbraw/zinc/40/92/87/936409287.db2.gz SQCSRQSPZMKXIA-AEFFLSMTSA-N 1 1 284.403 3.176 20 30 CGEDMO C#CC[N@H+](CC1CC1)Cn1c2ccccc2oc1=S ZINC001341076275 936427600 /nfs/dbraw/zinc/42/76/00/936427600.db2.gz FOASCEFNUMAMJB-UHFFFAOYSA-N 1 1 272.373 3.266 20 30 CGEDMO C#CC[N@@H+](CC1CC1)Cn1c2ccccc2oc1=S ZINC001341076275 936427601 /nfs/dbraw/zinc/42/76/01/936427601.db2.gz FOASCEFNUMAMJB-UHFFFAOYSA-N 1 1 272.373 3.266 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2cccc(Cl)c2F)C1 ZINC001343393659 936498082 /nfs/dbraw/zinc/49/80/82/936498082.db2.gz NKOARFUEMPNEQR-LBPRGKRZSA-N 1 1 269.747 3.256 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC001343393659 936498083 /nfs/dbraw/zinc/49/80/83/936498083.db2.gz NKOARFUEMPNEQR-LBPRGKRZSA-N 1 1 269.747 3.256 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)CN1C(=O)CC1(C)C ZINC001344414530 936533465 /nfs/dbraw/zinc/53/34/65/936533465.db2.gz ADUDNOHEAIVBHH-UHFFFAOYSA-N 1 1 272.392 3.033 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)CN1C(=O)CC1(C)C ZINC001344414530 936533468 /nfs/dbraw/zinc/53/34/68/936533468.db2.gz ADUDNOHEAIVBHH-UHFFFAOYSA-N 1 1 272.392 3.033 20 30 CGEDMO C=C[C@@H](C(=O)N(C)CCCn1cc[nH+]c1C)c1ccccc1 ZINC001346451353 936849425 /nfs/dbraw/zinc/84/94/25/936849425.db2.gz PUKPKDQFZIZERL-QGZVFWFLSA-N 1 1 297.402 3.010 20 30 CGEDMO C=CC[C@@H]([NH2+]C1CCC(CSC)CC1)C(=O)OCC ZINC001347793395 936896534 /nfs/dbraw/zinc/89/65/34/936896534.db2.gz YOQCVZAAOLPXHP-JXQTWKCFSA-N 1 1 285.453 3.006 20 30 CGEDMO C=C[C@@H](C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)c1ccccc1 ZINC001347861953 936899598 /nfs/dbraw/zinc/89/95/98/936899598.db2.gz SVXFSVJBLJFKFC-ZWKOTPCHSA-N 1 1 298.430 3.089 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](C[C@@H]2CC3(CO2)CCCCC3)C1 ZINC001473788730 937822454 /nfs/dbraw/zinc/82/24/54/937822454.db2.gz SSPZLIMCIJGWJD-HOTGVXAUSA-N 1 1 261.409 3.071 20 30 CGEDMO C=C[C@H](C(=O)NC[C@H]1CCCC[N@H+]1C1CC1)c1ccccc1 ZINC001348516222 936924413 /nfs/dbraw/zinc/92/44/13/936924413.db2.gz BQQOHQFYLZNGIU-MSOLQXFVSA-N 1 1 298.430 3.089 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3cccnc3)C2)s1 ZINC001349646687 936955345 /nfs/dbraw/zinc/95/53/45/936955345.db2.gz NGKKIPAEZADBNV-AWEZNQCLSA-N 1 1 283.400 3.394 20 30 CGEDMO C=CCC1(NC(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[N@@H+]3C2)CCCC1 ZINC001350090692 936977849 /nfs/dbraw/zinc/97/78/49/936977849.db2.gz CJIGLTVAGUEFGB-OAGGEKHMSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCN(C(=O)/C(C)=C\CC)C1 ZINC001480073833 937009874 /nfs/dbraw/zinc/00/98/74/937009874.db2.gz XMTACVMDZCHMKT-LPYTZGJOSA-N 1 1 298.858 3.266 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCC[N@H+]([C@H](C)CCC=C)C1 ZINC001480247250 937040954 /nfs/dbraw/zinc/04/09/54/937040954.db2.gz QSPCLCPCMGJHAB-CVEARBPZSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[NH2+]C/C(Cl)=C/Cl ZINC001480516669 937068410 /nfs/dbraw/zinc/06/84/10/937068410.db2.gz WJOITRSBUTZWRT-CHPNCVJKSA-N 1 1 293.238 3.002 20 30 CGEDMO C=CCC1(C(=O)NCC[N@H+](C)CC2CCCCC2)CCC1 ZINC001480910195 926772990 /nfs/dbraw/zinc/77/29/90/926772990.db2.gz RSDYVOJOPLMYDN-UHFFFAOYSA-N 1 1 292.467 3.361 20 30 CGEDMO CC#CC[N@H+](C)CCNC(=O)[C@@H](CCC)CC1CCCC1 ZINC001480920430 926794084 /nfs/dbraw/zinc/79/40/84/926794084.db2.gz PHOLUNPUPOVMID-KRWDZBQOSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCC1(C(=O)NCC[N@H+](C)CC2CC(C)C2)CCCC1 ZINC001480955943 926839187 /nfs/dbraw/zinc/83/91/87/926839187.db2.gz VWEPYIKEKNPHHG-UHFFFAOYSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCC(=O)NCC[N@H+](CC)Cc1ccc2cc[nH]c2c1 ZINC001480964217 926848777 /nfs/dbraw/zinc/84/87/77/926848777.db2.gz NVZOWWAARPIAKP-UHFFFAOYSA-N 1 1 299.418 3.072 20 30 CGEDMO C=CCC1(C(=O)NCC[N@H+](CC)CC2CC2)CCCCC1 ZINC001481018309 926861643 /nfs/dbraw/zinc/86/16/43/926861643.db2.gz IEBCVLRTHCYODC-UHFFFAOYSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCCC[N@H+](CCNC(=O)[C@]1(C)CCC[C@H]1C)C1CC1 ZINC001481184981 926903127 /nfs/dbraw/zinc/90/31/27/926903127.db2.gz RFWAMJSHUCBNEL-CRAIPNDOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)C[C@H]2C=CCCC2)C1 ZINC001481489243 927002636 /nfs/dbraw/zinc/00/26/36/927002636.db2.gz NONKENAIHKSSMS-DLBZAZTESA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCCCC(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001481497134 927004749 /nfs/dbraw/zinc/00/47/49/927004749.db2.gz KTNJTTBQVFKBQN-KRWDZBQOSA-N 1 1 292.467 3.313 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC001342420175 927010287 /nfs/dbraw/zinc/01/02/87/927010287.db2.gz AAXSJOMOJQNBAC-UHFFFAOYSA-N 1 1 288.782 3.369 20 30 CGEDMO C=CC[N@H+](C)CC1CCN(C(=O)c2ccsc2C)CC1 ZINC001481513742 927010615 /nfs/dbraw/zinc/01/06/15/927010615.db2.gz IWAUYTYQVIDVLY-UHFFFAOYSA-N 1 1 292.448 3.027 20 30 CGEDMO C#CCCCC(=O)N[C@H]1CCC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC001481534106 927020003 /nfs/dbraw/zinc/02/00/03/927020003.db2.gz XXZQBKGVGNWTRB-IRXDYDNUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001481536319 927020102 /nfs/dbraw/zinc/02/01/02/927020102.db2.gz HWRYXNCSMYJAHD-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@@H+](C/C=C\Cl)C2)CCCC1 ZINC001481697456 927061190 /nfs/dbraw/zinc/06/11/90/927061190.db2.gz VTLVSBUEWJBODL-MFNCVGGLSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@H+](C/C=C\Cl)C2)CCCC1 ZINC001481697456 927061202 /nfs/dbraw/zinc/06/12/02/927061202.db2.gz VTLVSBUEWJBODL-MFNCVGGLSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC(=C)C)C1)c1ccccc1 ZINC001481696365 927063297 /nfs/dbraw/zinc/06/32/97/927063297.db2.gz FRVIXXPHDUFITR-ZWKOTPCHSA-N 1 1 298.430 3.113 20 30 CGEDMO C=CCC1(C(=O)N(C)[C@@H]2CC[N@H+](CCCC)C2)CCCC1 ZINC001481755471 927078295 /nfs/dbraw/zinc/07/82/95/927078295.db2.gz ZNQOSCGMYICRCN-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CCC(=O)N(C)CC[N@@H+](C)CC1=CCCCC1 ZINC001482599888 927319070 /nfs/dbraw/zinc/31/90/70/927319070.db2.gz HYGMAQUIZKREFW-UHFFFAOYSA-N 1 1 278.440 3.233 20 30 CGEDMO C=C1CCC(C(=O)N(C)CC[N@@H+](C)CC2CCCC2)CC1 ZINC001482625418 927330187 /nfs/dbraw/zinc/33/01/87/927330187.db2.gz VFKXGFJMRWZAQQ-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)c1cc(F)ccc1Cl ZINC001482630087 927333076 /nfs/dbraw/zinc/33/30/76/927333076.db2.gz BWIGILCGCPZRDM-UHFFFAOYSA-N 1 1 298.789 3.059 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC)CC[C@@H]21 ZINC001482658443 927340603 /nfs/dbraw/zinc/34/06/03/927340603.db2.gz TWOJMXQRLKRJKH-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@H](C)NC(=O)c1ccoc1CC ZINC001483330827 927484001 /nfs/dbraw/zinc/48/40/01/927484001.db2.gz HPPXVYGRUIVULW-KBPBESRZSA-N 1 1 292.423 3.247 20 30 CGEDMO C#CCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](CC)CC1CCCC1 ZINC001483388350 927495401 /nfs/dbraw/zinc/49/54/01/927495401.db2.gz DZYJAYNKSNHWNE-WBVHZDCISA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)c1ccc2ccccc2c1 ZINC001483408437 927498800 /nfs/dbraw/zinc/49/88/00/927498800.db2.gz LBSZSYNVSXLEAN-HNNXBMFYSA-N 1 1 296.414 3.466 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@H]1CNC(=O)C1CCCC1 ZINC001483621134 927533414 /nfs/dbraw/zinc/53/34/14/927533414.db2.gz FQFWYDCAUWRBSI-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](CCCCC)C(C)C ZINC001483692174 927577231 /nfs/dbraw/zinc/57/72/31/927577231.db2.gz VUOIMCFOYDLXEG-IRXDYDNUSA-N 1 1 292.467 3.053 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](CCCCC)C(C)C ZINC001483692174 927577242 /nfs/dbraw/zinc/57/72/42/927577242.db2.gz VUOIMCFOYDLXEG-IRXDYDNUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@]2(CCN(C(=O)C3CC3)C2)C1 ZINC001483828745 927631508 /nfs/dbraw/zinc/63/15/08/927631508.db2.gz ZTKYUMRINPZNTN-YJBOKZPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C/C(C)=C\CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(=C)C ZINC001483825970 927631572 /nfs/dbraw/zinc/63/15/72/927631572.db2.gz DFLGXMMTAPFHLC-FDUJEISQSA-N 1 1 288.435 3.150 20 30 CGEDMO C=CCCC(=O)N1CC[C@]2(C1)CCC[N@H+](CC[C@@H](C)F)C2 ZINC001483831807 927632237 /nfs/dbraw/zinc/63/22/37/927632237.db2.gz VVFYUOOXYZFFPC-NVXWUHKLSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)/C(C)=C/CC)CC1 ZINC001484708248 927741458 /nfs/dbraw/zinc/74/14/58/927741458.db2.gz OHTPBDOTSCUCOQ-UBYXTUIOSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CCC[N@H+](CCC)CC2)CCC1 ZINC001484723142 927741596 /nfs/dbraw/zinc/74/15/96/927741596.db2.gz MERWMRQZSMGZDS-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)Cc1ccsc1 ZINC001484731173 927744302 /nfs/dbraw/zinc/74/43/02/927744302.db2.gz OFYQFPJCSVECQG-UHFFFAOYSA-N 1 1 294.464 3.037 20 30 CGEDMO C#CCC[N@H+](C)CCCN(C)C(=O)[C@@]1(C)CCC[C@H]1CC ZINC001484747044 927747768 /nfs/dbraw/zinc/74/77/68/927747768.db2.gz LPKJZDLPTVIGML-AEFFLSMTSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@]2(CC[N@H+](CCCC)C2)C1 ZINC001484832789 927761380 /nfs/dbraw/zinc/76/13/80/927761380.db2.gz VSMXWAOQUOIFOT-SFHVURJKSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)/C(C)=C/CC)C2 ZINC001484826272 927761631 /nfs/dbraw/zinc/76/16/31/927761631.db2.gz SWYUSEJPHGIWOL-WHMKARLCSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)CCC2CCCC2)C[C@H]1C ZINC001484968501 927776574 /nfs/dbraw/zinc/77/65/74/927776574.db2.gz IVMTXXZLKRVDAQ-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@@H+](CCCC=C)[C@@H](C)C1 ZINC001484976606 927781916 /nfs/dbraw/zinc/78/19/16/927781916.db2.gz MNVBQUQSUGCSNY-HOTGVXAUSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)C1(CCC)CCC1 ZINC001485065461 927796384 /nfs/dbraw/zinc/79/63/84/927796384.db2.gz KVAGCBMCZTZNDP-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCCC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1C ZINC001485344247 927851300 /nfs/dbraw/zinc/85/13/00/927851300.db2.gz HHWSJRKXXFSGHN-INIZCTEOSA-N 1 1 288.435 3.288 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@]1(C)C=CCC1 ZINC001485479784 927879905 /nfs/dbraw/zinc/87/99/05/927879905.db2.gz HBFKAGQUUVTKSQ-AEFFLSMTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@@H](C)C(C)(C)C)C(C)(C)C1 ZINC001485570739 927891225 /nfs/dbraw/zinc/89/12/25/927891225.db2.gz WJAYKSRXIWGJQQ-KGLIPLIRSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC(C)(C)C)C[C@@H]2C1 ZINC001485653749 927895069 /nfs/dbraw/zinc/89/50/69/927895069.db2.gz KLSJNRDQYVIHNB-ARFHVFGLSA-N 1 1 292.467 3.215 20 30 CGEDMO C#CC[N@H+](CCOCC=C)[C@H]1CCCc2ccccc21 ZINC001473826898 937202230 /nfs/dbraw/zinc/20/22/30/937202230.db2.gz WZWYAWRVRODPHP-SFHVURJKSA-N 1 1 269.388 3.202 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@]2(NC(=O)CCC)CCC[C@H]12 ZINC001486134547 927987446 /nfs/dbraw/zinc/98/74/46/927987446.db2.gz FNZPJAKURCHWQG-YQQAZPJKSA-N 1 1 278.440 3.254 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C2=CCCC2)[C@H]1C ZINC001486172442 927993428 /nfs/dbraw/zinc/99/34/28/927993428.db2.gz ZZZNOWYXVKORJK-GDBMZVCRSA-N 1 1 276.424 3.032 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)CCCCC(C)C)[C@H]1C ZINC001486184437 927996462 /nfs/dbraw/zinc/99/64/62/927996462.db2.gz UPRLKJRFUSDBNX-SJORKVTESA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)[C@@H](C)C(C)(F)F)C(C)C ZINC001486375424 928013994 /nfs/dbraw/zinc/01/39/94/928013994.db2.gz HMLQJSHYXRHQGI-CYBMUJFWSA-N 1 1 290.398 3.023 20 30 CGEDMO C#CC[N@H+](C)CCN(C(=O)C[C@H]1CCCC[C@H]1C)C(C)C ZINC001486380236 928014135 /nfs/dbraw/zinc/01/41/35/928014135.db2.gz ATFWZWDUSDOFJT-IAGOWNOFSA-N 1 1 292.467 3.005 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC(=O)[C@H]2CCCC[C@@H]21 ZINC001171204392 928200374 /nfs/dbraw/zinc/20/03/74/928200374.db2.gz XAXSNZCMKBSEOD-JLSDUUJJSA-N 1 1 296.414 3.323 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C/C=C(\C)C=C)[C@H]1CC ZINC001489128673 928312747 /nfs/dbraw/zinc/31/27/47/928312747.db2.gz OCGHTDFCDVJHFW-IYSULOHHSA-N 1 1 276.424 3.054 20 30 CGEDMO C#CCCCC(=O)N1CCC[C@H]([N@H+](C)CC(CC)CC)C1 ZINC001480726066 937235948 /nfs/dbraw/zinc/23/59/48/937235948.db2.gz VCPBZFCPXHKYEW-KRWDZBQOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)CCCC)[C@H]1C ZINC001489248196 928317116 /nfs/dbraw/zinc/31/71/16/928317116.db2.gz DPKGGRQKFKWAJQ-PMPSAXMXSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CCC1CC1 ZINC001489320033 928323398 /nfs/dbraw/zinc/32/33/98/928323398.db2.gz NCAMWRLAOYQRMS-HNNXBMFYSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCC1CC1 ZINC001489320033 928323409 /nfs/dbraw/zinc/32/34/09/928323409.db2.gz NCAMWRLAOYQRMS-HNNXBMFYSA-N 1 1 298.858 3.242 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)CSCCC ZINC001489319585 928324877 /nfs/dbraw/zinc/32/48/77/928324877.db2.gz ZDORFLHLBRYHGE-HNNXBMFYSA-N 1 1 298.496 3.019 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CC(C)=C(C)C)[C@H]1C ZINC001489282258 928325159 /nfs/dbraw/zinc/32/51/59/928325159.db2.gz CXKNGMQPIKMRJQ-CVEARBPZSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCCNC(=O)c1ccc(C)c(C)c1 ZINC001490276128 928340501 /nfs/dbraw/zinc/34/05/01/928340501.db2.gz SUFYOAFZBPSOLI-UHFFFAOYSA-N 1 1 288.435 3.321 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](CCC)C(C)C)C1 ZINC001490563775 928371838 /nfs/dbraw/zinc/37/18/38/928371838.db2.gz XGUPTPYHJSQXDK-HOTGVXAUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](CCC)CC(C)C)C1 ZINC001490579561 928375520 /nfs/dbraw/zinc/37/55/20/928375520.db2.gz FTWFFFJYVXBZHE-HOTGVXAUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)/C(C)=C\CC)C1 ZINC001490752105 928384136 /nfs/dbraw/zinc/38/41/36/928384136.db2.gz JSVOFFKQZPPEKB-LPPOOGIUSA-N 1 1 292.467 3.479 20 30 CGEDMO CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)CC[C@@H](C)CC)C1 ZINC001490774224 928385302 /nfs/dbraw/zinc/38/53/02/928385302.db2.gz QFNORJWRLJSRTP-DLBZAZTESA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H](C[N@@H+](C)CCC2CC2)C1 ZINC001490759968 928388441 /nfs/dbraw/zinc/38/84/41/928388441.db2.gz WTLHZQQYZFJYRN-QGZVFWFLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)c1cc2ccccc2o1 ZINC001492841343 937242128 /nfs/dbraw/zinc/24/21/28/937242128.db2.gz SAFVHQMNYCADJM-UHFFFAOYSA-N 1 1 286.375 3.061 20 30 CGEDMO C=CCC[N@H+](C)CCNC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC001492866839 937242869 /nfs/dbraw/zinc/24/28/69/937242869.db2.gz KVQFDTDPZSPVPZ-ZDUSSCGKSA-N 1 1 294.826 3.068 20 30 CGEDMO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C/C=C/C)C(=O)OCC)C1 ZINC001308740020 928541143 /nfs/dbraw/zinc/54/11/43/928541143.db2.gz BIZFKNBSBVOZBN-MCCZJCTISA-N 1 1 265.397 3.219 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cs1)CC1CCC(C#N)CC1 ZINC000933770687 928635894 /nfs/dbraw/zinc/63/58/94/928635894.db2.gz RCFHAEHEGDMZJK-UHFFFAOYSA-N 1 1 273.405 3.382 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)CC2CCCC2)C1 ZINC001491087647 928830892 /nfs/dbraw/zinc/83/08/92/928830892.db2.gz FBNMOPBCQWJROR-QGZVFWFLSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](CC)CC(C)C)C1 ZINC001491125961 928832986 /nfs/dbraw/zinc/83/29/86/928832986.db2.gz RTMSUWTXHNEFSF-JKSUJKDBSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)C(C)(C)C ZINC001491212636 928845617 /nfs/dbraw/zinc/84/56/17/928845617.db2.gz DHTBPHVQKOMVLF-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCC2(C)CC2)C1 ZINC001491295400 928853927 /nfs/dbraw/zinc/85/39/27/928853927.db2.gz JNHKXVKHZHBBIA-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2(C)CCCC2)C1 ZINC001491293538 928855134 /nfs/dbraw/zinc/85/51/34/928855134.db2.gz WNOMTLOQDKQRLZ-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)c1cc(Cl)ccc1F ZINC001448883489 937377204 /nfs/dbraw/zinc/37/72/04/937377204.db2.gz OJRQBMGMNBKKPR-UHFFFAOYSA-N 1 1 298.789 3.059 20 30 CGEDMO C=CC[N@@H+](CC(=O)OCC)CC1CCCCCC1 ZINC001459386326 937486816 /nfs/dbraw/zinc/48/68/16/937486816.db2.gz DHIDQOXWIXTJPV-UHFFFAOYSA-N 1 1 253.386 3.008 20 30 CGEDMO C=CC[N@H+](CC(=O)OCC)CC1CCCCCC1 ZINC001459386326 937486818 /nfs/dbraw/zinc/48/68/18/937486818.db2.gz DHIDQOXWIXTJPV-UHFFFAOYSA-N 1 1 253.386 3.008 20 30 CGEDMO C=CC[C@H](C(=O)OC)[N@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC001459635935 937494934 /nfs/dbraw/zinc/49/49/34/937494934.db2.gz SONFKSMNKLAPIS-BHYGNILZSA-N 1 1 287.403 3.057 20 30 CGEDMO C[C@@H](Cc1cccs1)[N@@H+](C)CCCSCC#N ZINC001459626276 937493959 /nfs/dbraw/zinc/49/39/59/937493959.db2.gz GXJWFMLQPLJQCX-LBPRGKRZSA-N 1 1 268.451 3.258 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC001459619938 937494305 /nfs/dbraw/zinc/49/43/05/937494305.db2.gz GRGQOOITQAEHGN-SFHVURJKSA-N 1 1 253.389 3.380 20 30 CGEDMO C#CCOCC[N@@H+]1CCC[C@H]1[C@H](CC)c1ccccc1 ZINC001459662821 937494857 /nfs/dbraw/zinc/49/48/57/937494857.db2.gz QFFVPOOQEFLJEK-MSOLQXFVSA-N 1 1 271.404 3.294 20 30 CGEDMO C#CC[N@H+](CCOc1ccc(F)cc1Cl)CC1CC1 ZINC001459777485 937499409 /nfs/dbraw/zinc/49/94/09/937499409.db2.gz PNQKYTJDUASVQV-UHFFFAOYSA-N 1 1 281.758 3.203 20 30 CGEDMO C=CCCCC[N@@H+]1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC001459820761 937501824 /nfs/dbraw/zinc/50/18/24/937501824.db2.gz SNPQUJPBQYLEBV-UHFFFAOYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc([Si](C)(C)C)cc2)C1 ZINC001459815161 937501867 /nfs/dbraw/zinc/50/18/67/937501867.db2.gz BJNLMCAOOIMPPU-MRXNPFEDSA-N 1 1 289.495 3.009 20 30 CGEDMO C#CCOCC[N@H+](C)Cc1c(CC)ccc2ccccc21 ZINC001459891258 937505242 /nfs/dbraw/zinc/50/52/42/937505242.db2.gz BZVMRRYEYXDADW-UHFFFAOYSA-N 1 1 281.399 3.484 20 30 CGEDMO CC[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)[C@@H]1C ZINC001459984212 937510265 /nfs/dbraw/zinc/51/02/65/937510265.db2.gz MPOXMYFKMYVGLE-UMVBOHGHSA-N 1 1 285.391 3.006 20 30 CGEDMO C=CC[N@@H+](CCOC)CCn1ccc2cc(Cl)ccc21 ZINC001460048446 937513185 /nfs/dbraw/zinc/51/31/85/937513185.db2.gz VFCZFRDWKFJOPL-UHFFFAOYSA-N 1 1 292.810 3.429 20 30 CGEDMO C#CCCCCCC[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC001460193392 937519925 /nfs/dbraw/zinc/51/99/25/937519925.db2.gz CKVHGHZWJBGSPL-HOTGVXAUSA-N 1 1 263.425 3.460 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](C[C@@](C)(O)c2ccc(F)cc2)C1 ZINC001460359593 937528699 /nfs/dbraw/zinc/52/86/99/937528699.db2.gz HELROXNRAFBSOJ-RHSMWYFYSA-N 1 1 277.383 3.321 20 30 CGEDMO C#CCCCCCC[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC001460421081 937530937 /nfs/dbraw/zinc/53/09/37/937530937.db2.gz SZCATVWOAJOFFD-UHFFFAOYSA-N 1 1 296.455 3.417 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCCC[C@@H]1CC1(O)CCCCC1 ZINC001460765390 937544023 /nfs/dbraw/zinc/54/40/23/937544023.db2.gz XTTBYKZLVSWNGG-IAGOWNOFSA-N 1 1 295.467 3.253 20 30 CGEDMO C[C@@H]1CC[N@H+]1Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139402179 931952792 /nfs/dbraw/zinc/95/27/92/931952792.db2.gz NKVLRXFJFTYPCP-CYBMUJFWSA-N 1 1 263.344 3.214 20 30 CGEDMO Cc1ccc(CC#N)c(NCc2cccc(C)c2O)[nH+]1 ZINC001160770524 931984402 /nfs/dbraw/zinc/98/44/02/931984402.db2.gz YLFZXKVMFRGJOO-UHFFFAOYSA-N 1 1 267.332 3.082 20 30 CGEDMO C#CCCCNc1cc[nH+]c(NC(=O)OC(C)(C)C)c1 ZINC001162445199 931988973 /nfs/dbraw/zinc/98/89/73/931988973.db2.gz AITQTVYUAXSCFI-UHFFFAOYSA-N 1 1 275.352 3.254 20 30 CGEDMO C=CCCC[N@@H+]1CCO[C@H](c2ccc(OC)c(OC)c2)C1 ZINC001460950912 937555453 /nfs/dbraw/zinc/55/54/53/937555453.db2.gz WYVLZPMGRLNUNC-KRWDZBQOSA-N 1 1 291.391 3.043 20 30 CGEDMO C=CCCC[N@H+]1CCO[C@H](c2ccc(OC)c(OC)c2)C1 ZINC001460950912 937555456 /nfs/dbraw/zinc/55/54/56/937555456.db2.gz WYVLZPMGRLNUNC-KRWDZBQOSA-N 1 1 291.391 3.043 20 30 CGEDMO Cc1ccc(C[N@H+]2CCCC[C@@]23CCOC3)cc1C#N ZINC001460959370 937556601 /nfs/dbraw/zinc/55/66/01/937556601.db2.gz NCFGGCNRRPIQIU-KRWDZBQOSA-N 1 1 270.376 3.012 20 30 CGEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc3nc(C#N)sc3c1)C2 ZINC001226675479 932040845 /nfs/dbraw/zinc/04/08/45/932040845.db2.gz RZGZLQLZMAGXAX-PTEHBNRSSA-N 1 1 299.399 3.172 20 30 CGEDMO C=C[C@H](CCCC)Oc1ccc(C(=[NH2+])NO)c(F)c1 ZINC001229081108 932089128 /nfs/dbraw/zinc/08/91/28/932089128.db2.gz NUMVDNLODMGQNW-SNVBAGLBSA-N 1 1 266.316 3.253 20 30 CGEDMO Cc1cc(O[C@H]2CCC[N@H+](C(C)C)C2)ccc1C#N ZINC001229213048 932116826 /nfs/dbraw/zinc/11/68/26/932116826.db2.gz JBVVPKWGUUUZRK-INIZCTEOSA-N 1 1 258.365 3.118 20 30 CGEDMO C=CCc1ccc(O)c(O[C@@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)c1 ZINC001229338517 932135538 /nfs/dbraw/zinc/13/55/38/932135538.db2.gz HGFWEMBZURLHOS-JLVBRIDZSA-N 1 1 287.403 3.230 20 30 CGEDMO C[C@H](C#N)C[NH2+]Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001461817119 937599361 /nfs/dbraw/zinc/59/93/61/937599361.db2.gz NCVKTRKMPRZQDE-GFCCVEGCSA-N 1 1 289.379 3.283 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H](C)CC(C)C)CC1 ZINC001229770317 932483393 /nfs/dbraw/zinc/48/33/93/932483393.db2.gz QOYLNJPAMWCGCH-LBPRGKRZSA-N 1 1 286.847 3.002 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H](Oc2ccc(C3(C#N)CC3)cc2)C1 ZINC001229943333 932506589 /nfs/dbraw/zinc/50/65/89/932506589.db2.gz FEFOBTDHOVBKCJ-KRWDZBQOSA-N 1 1 284.403 3.493 20 30 CGEDMO C[C@H](C#N)C[N@H+](Cc1cc2ccc(F)cc2[nH]c1=O)C1CC1 ZINC001461928181 937607024 /nfs/dbraw/zinc/60/70/24/937607024.db2.gz QGRPGBHDXQEOOH-LLVKDONJSA-N 1 1 299.349 3.204 20 30 CGEDMO C[C@H](C#N)C[N@@H+](Cc1cc2ccc(F)cc2[nH]c1=O)C1CC1 ZINC001461928181 937607027 /nfs/dbraw/zinc/60/70/27/937607027.db2.gz QGRPGBHDXQEOOH-LLVKDONJSA-N 1 1 299.349 3.204 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C)CCC)CC1 ZINC001230541436 932585400 /nfs/dbraw/zinc/58/54/00/932585400.db2.gz NXUHJBDKHPUGHF-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC([C@H]2CCC[N@@H+]2CC)CC1 ZINC001230606057 932596017 /nfs/dbraw/zinc/59/60/17/932596017.db2.gz USASROPIXDFTQT-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC1CCCCC1 ZINC001230702495 932611109 /nfs/dbraw/zinc/61/11/09/932611109.db2.gz NDVAFMPAIXHLHW-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)c1occc1C ZINC001230762012 932620429 /nfs/dbraw/zinc/62/04/29/932620429.db2.gz DVZYYPUJVWRVLO-LSDHHAIUSA-N 1 1 290.407 3.089 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCC ZINC001230797782 932624408 /nfs/dbraw/zinc/62/44/08/932624408.db2.gz JQJKNMXHBCODTE-HUUCEWRRSA-N 1 1 266.429 3.064 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C)[C@H](Oc2[nH+][nH]cc3nncc2-3)C1 ZINC001230897150 932637923 /nfs/dbraw/zinc/63/79/23/932637923.db2.gz ZOAWYZASYZZTHU-BXUZGUMPSA-N 1 1 270.336 3.033 20 30 CGEDMO C=CCC[C@H]([NH2+][C@@H]1CC[C@H](C)[C@H](C)C1)C(=O)OCC ZINC001462245514 937626646 /nfs/dbraw/zinc/62/66/46/937626646.db2.gz AYVLSDGBZYLVHO-YJNKXOJESA-N 1 1 267.413 3.299 20 30 CGEDMO CCCCCCCC[N@@H+](C)C[C@@H](O)COC(C)C ZINC001252674592 932721956 /nfs/dbraw/zinc/72/19/56/932721956.db2.gz POWYGJLQURZJSS-OAHLLOKOSA-N 1 1 259.434 3.065 20 30 CGEDMO C#CC[N@H+](C/C=C\c1ccc(F)cc1F)CC1CC1 ZINC001254737470 932725708 /nfs/dbraw/zinc/72/57/08/932725708.db2.gz UQTCONJLUIZRFI-ARJAWSKDSA-N 1 1 261.315 3.323 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)CC=C ZINC001316604808 932746906 /nfs/dbraw/zinc/74/69/06/932746906.db2.gz UYYOBGMNWBIZRL-HNNXBMFYSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C/C=C/c1ccc(C)cc1 ZINC001316609556 932748197 /nfs/dbraw/zinc/74/81/97/932748197.db2.gz CZPSMGNAGPVMKC-DUMMIQTOSA-N 1 1 298.430 3.117 20 30 CGEDMO COCC[N@@H+](CC1CCC(C#N)CC1)[C@@H]1CC[C@H](C)C1 ZINC001334874034 932771771 /nfs/dbraw/zinc/77/17/71/932771771.db2.gz MIQDJOYWXZIAOD-ZGRYLRDCSA-N 1 1 278.440 3.453 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@H]1CNC(=O)C[C@H]1CC=CCC1 ZINC001317173763 932783713 /nfs/dbraw/zinc/78/37/13/932783713.db2.gz NBLQTCVIVDPLNH-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CCCNC(=O)C1=CCCC1 ZINC001492147604 932806980 /nfs/dbraw/zinc/80/69/80/932806980.db2.gz HYSPKHCVJRMFTM-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO CCCCCCC[N@@H+](C)CCNC(=O)C#CC(C)(C)C ZINC001492249935 932813905 /nfs/dbraw/zinc/81/39/05/932813905.db2.gz LXEMNYZKFYRWFT-UHFFFAOYSA-N 1 1 280.456 3.054 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@H]([N@@H+](C)C/C=C/Cl)C1 ZINC001317380142 932862559 /nfs/dbraw/zinc/86/25/59/932862559.db2.gz ZHUWUGKHZFNGTQ-YBZQBRCDSA-N 1 1 298.858 3.264 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC001307421669 932949456 /nfs/dbraw/zinc/94/94/56/932949456.db2.gz AUCJTLKFZHBKBM-QGZVFWFLSA-N 1 1 292.386 3.036 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2)C1 ZINC001307489105 932960288 /nfs/dbraw/zinc/96/02/88/932960288.db2.gz HFBVCJZFIJQZNI-QGZVFWFLSA-N 1 1 286.419 3.237 20 30 CGEDMO C=C(C)C[C@H]([NH2+][C@@H]1CCCC(C)(C)C1)C(=O)OCC ZINC001462550103 937649877 /nfs/dbraw/zinc/64/98/77/937649877.db2.gz NYWRYLMGBPGWOD-KGLIPLIRSA-N 1 1 267.413 3.443 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN(C)c1ccccc1 ZINC001307949181 933023804 /nfs/dbraw/zinc/02/38/04/933023804.db2.gz ASVAAQAHQQWVDX-CALCHBBNSA-N 1 1 256.393 3.306 20 30 CGEDMO C#CC[N@@H+](C[C@H](O)c1ccc(Cl)c(Cl)c1)C(C)C ZINC001308096688 933047632 /nfs/dbraw/zinc/04/76/32/933047632.db2.gz QWMATGBYEXAXAT-AWEZNQCLSA-N 1 1 286.202 3.370 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C)cc1 ZINC001308138045 933054983 /nfs/dbraw/zinc/05/49/83/933054983.db2.gz UMCQGFLOZWVZBZ-INIZCTEOSA-N 1 1 272.392 3.364 20 30 CGEDMO C=CCCCC[N@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC001308145324 933058361 /nfs/dbraw/zinc/05/83/61/933058361.db2.gz KXPHRKSVRAUYFD-HOTGVXAUSA-N 1 1 251.414 3.481 20 30 CGEDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1cc(C#N)ccc1N(C)C ZINC001308620168 933144661 /nfs/dbraw/zinc/14/46/61/933144661.db2.gz RKGJECABSBSMHV-BBRMVZONSA-N 1 1 271.408 3.245 20 30 CGEDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1cc(C#N)ccc1N(C)C ZINC001308620169 933144900 /nfs/dbraw/zinc/14/49/00/933144900.db2.gz RKGJECABSBSMHV-CJNGLKHVSA-N 1 1 271.408 3.245 20 30 CGEDMO C=CCC[N@H+](C)CCSc1ccc(OC)cc1 ZINC001308690896 933158839 /nfs/dbraw/zinc/15/88/39/933158839.db2.gz HJLCZXLXYMWVPZ-UHFFFAOYSA-N 1 1 251.395 3.295 20 30 CGEDMO C#CC[N@H+](C[C@@H]1CCCC(C)(C)C1)C1CSC1 ZINC001308905876 933200508 /nfs/dbraw/zinc/20/05/08/933200508.db2.gz BBQKREHLVKMEGL-CYBMUJFWSA-N 1 1 251.439 3.253 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)C(CC)CC ZINC001317503610 933292462 /nfs/dbraw/zinc/29/24/62/933292462.db2.gz QCGZUSQXOIEVRB-HOCLYGCPSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[C@@H](CC)NC(=O)NC[C@@H]1CCCC[N@@H+]1CCCC ZINC001311891356 933321789 /nfs/dbraw/zinc/32/17/89/933321789.db2.gz VYPLEULBEVFTED-CVEARBPZSA-N 1 1 295.471 3.295 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)C(CC)CC ZINC001328705169 933462685 /nfs/dbraw/zinc/46/26/85/933462685.db2.gz SMGMLNMVRIFUJG-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@](C)(CC)CCC ZINC001328782415 933464931 /nfs/dbraw/zinc/46/49/31/933464931.db2.gz ZZMWLPCGNNZWHZ-WMZOPIPTSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]([C@H]2CC[N@H+](CCC)C2)C1 ZINC001328808173 933465018 /nfs/dbraw/zinc/46/50/18/933465018.db2.gz OJOXGGURCGHBPZ-SJORKVTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1[C@@H]2CCC[N@H+](CCC)[C@H]2C1(C)C ZINC001316720139 933475522 /nfs/dbraw/zinc/47/55/22/933475522.db2.gz JMVSDIJVEWGBIF-USXIJHARSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)c1sccc1F ZINC001316822843 933476218 /nfs/dbraw/zinc/47/62/18/933476218.db2.gz SEPPPZDGQFHWBM-GFCCVEGCSA-N 1 1 298.427 3.294 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@@H+](CCC2CC2)[C@@H]1CC ZINC001316737467 933477940 /nfs/dbraw/zinc/47/79/40/933477940.db2.gz NFRLMAXUGDEEHA-LZLYRXPVSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@H]1C[N@H+](C)CCCC ZINC001316804167 933482167 /nfs/dbraw/zinc/48/21/67/933482167.db2.gz VZVIVAFHKMEAJM-HNNXBMFYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C1CCC=CCC1 ZINC001316806204 933483370 /nfs/dbraw/zinc/48/33/70/933483370.db2.gz LRBSAUXHSMECSU-KRWDZBQOSA-N 1 1 290.451 3.232 20 30 CGEDMO CC#CC[N@H+]1CC[C@H](NC(=O)[C@H](C)CCC(C)(C)C)[C@H]1C ZINC001316796124 933483403 /nfs/dbraw/zinc/48/34/03/933483403.db2.gz FBNZVQFYUXPANM-OAGGEKHMSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CCCC[N@@H+](C)CCCNC(=O)c1ccsc1C ZINC001316822652 933484584 /nfs/dbraw/zinc/48/45/84/933484584.db2.gz UGNBIJANQSXKHU-UHFFFAOYSA-N 1 1 280.437 3.074 20 30 CGEDMO C=CCC[N@@H+](CC)CCCNC(=O)c1ccc2[nH]ccc2c1 ZINC001316901430 933492714 /nfs/dbraw/zinc/49/27/14/933492714.db2.gz JQDICGVQPPMVJG-UHFFFAOYSA-N 1 1 299.418 3.186 20 30 CGEDMO C=C(C)CC[N@H+](CCCNC(=O)[C@@H]1CC[C@H](C)C1)C1CC1 ZINC001316925104 933494476 /nfs/dbraw/zinc/49/44/76/933494476.db2.gz KGZFPSUVDCWXTR-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)CCCC2CC2)CC1 ZINC001316934964 933498132 /nfs/dbraw/zinc/49/81/32/933498132.db2.gz CSEVHVWILIAOLC-UHFFFAOYSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)C(CC)CC)C1 ZINC001316945634 933500083 /nfs/dbraw/zinc/50/00/83/933500083.db2.gz QNIBANQCBMSGHI-HOCLYGCPSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001316985426 933506705 /nfs/dbraw/zinc/50/67/05/933506705.db2.gz JVVNGPMUAAIHHN-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC2(C)C)C1 ZINC001317039510 933518678 /nfs/dbraw/zinc/51/86/78/933518678.db2.gz RMUWZBKDAFSICU-HOTGVXAUSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)C[C@@H](C)CCC)C1 ZINC001317127145 933538271 /nfs/dbraw/zinc/53/82/71/933538271.db2.gz CUQKSOPPLDZAFC-HOTGVXAUSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCN(CC1CCCCC1)C(=O)C[N@H+](C)C1CCC1 ZINC001465093291 937697953 /nfs/dbraw/zinc/69/79/53/937697953.db2.gz NLTDPFNWHOGHPK-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CCCCCC)C1 ZINC001317208594 933554501 /nfs/dbraw/zinc/55/45/01/933554501.db2.gz ZKSHBVWGTTVUKK-DLBZAZTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2(C)CC(=C)C2)C1 ZINC001317209220 933554619 /nfs/dbraw/zinc/55/46/19/933554619.db2.gz OBISTYOUTWMJCF-HZPDHXFCSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC001317375947 933578610 /nfs/dbraw/zinc/57/86/10/933578610.db2.gz OVPGYKCXHMSPHE-CQSZACIVSA-N 1 1 292.448 3.251 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)CCC2CCC2)C1 ZINC001317371246 933579198 /nfs/dbraw/zinc/57/91/98/933579198.db2.gz SCVVUUKSCAMDED-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)C=C(C)C)C1 ZINC001317376029 933579910 /nfs/dbraw/zinc/57/99/10/933579910.db2.gz PUJIKDKSLIIBTR-HZPDHXFCSA-N 1 1 278.440 3.230 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)CCC2CC2)C1 ZINC001317371412 933580204 /nfs/dbraw/zinc/58/02/04/933580204.db2.gz SKVFULAXOWXFIB-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO CC#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](CC)CC(C)C)C1 ZINC001317381002 933582433 /nfs/dbraw/zinc/58/24/33/933582433.db2.gz IDJRZZYXWNIVPI-SJORKVTESA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1CCCNC(=O)/C=C(\C)CC ZINC001317422288 933590924 /nfs/dbraw/zinc/59/09/24/933590924.db2.gz SBBMZXJZLXCNBS-FQNOHDAGSA-N 1 1 298.858 3.456 20 30 CGEDMO C=CCCCC(=O)NCC[N@H+](C)Cc1cc(C)cc(C)c1 ZINC001317460069 933596973 /nfs/dbraw/zinc/59/69/73/933596973.db2.gz VWXJMICTCZBUPV-UHFFFAOYSA-N 1 1 288.435 3.208 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)[C@H]1CCCC1(C)C ZINC001317486008 933602386 /nfs/dbraw/zinc/60/23/86/933602386.db2.gz ZNIHVGSFFHMBMT-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1CC[N@H+](CC/C=C/CC)C1 ZINC001317520396 933610819 /nfs/dbraw/zinc/61/08/19/933610819.db2.gz MLPHHPASQQMTGX-JFDDCEBESA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001317528808 933612868 /nfs/dbraw/zinc/61/28/68/933612868.db2.gz UDCCUDDLVMBTFW-OAHLLOKOSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H](CNC(=O)/C(C)=C\C)c1ccccc1 ZINC001317715504 933636357 /nfs/dbraw/zinc/63/63/57/933636357.db2.gz OVZSQNYWAFWIJB-VPRWNFCTSA-N 1 1 292.810 3.152 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](CCNC(=O)/C=C\C(C)(C)C)C1 ZINC001317778096 933649815 /nfs/dbraw/zinc/64/98/15/933649815.db2.gz FXXSEPNGLDYJMY-CLOOOTJHSA-N 1 1 292.467 3.383 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](CCNC(=O)C(CC)(CC)CC)C1 ZINC001317804664 933651871 /nfs/dbraw/zinc/65/18/71/933651871.db2.gz DFWVAWAUVATVID-INIZCTEOSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCC[N@H+](C)CC1CCN(C(=O)[C@@]2(C)C=CCC2)CC1 ZINC001317875933 933661815 /nfs/dbraw/zinc/66/18/15/933661815.db2.gz OKWOURSUDGTHAO-SFHVURJKSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)CC2(C)CCCC2)C1 ZINC001317931181 933665158 /nfs/dbraw/zinc/66/51/58/933665158.db2.gz PPPSJCRLNSDFFU-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)CCC2CC2)C1 ZINC001317926709 933665738 /nfs/dbraw/zinc/66/57/38/933665738.db2.gz PVIMZEJSCDRGIW-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC1C[NH+]([C@@H]2CCc3ccccc32)C1 ZINC001318056267 933680742 /nfs/dbraw/zinc/68/07/42/933680742.db2.gz JKLUOLRBMYKRCR-KBXCAEBGSA-N 1 1 298.430 3.077 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@](C)(F)CCCC)C1 ZINC001318260255 933702194 /nfs/dbraw/zinc/70/21/94/933702194.db2.gz AVMSQDKSXYQIMC-HOCLYGCPSA-N 1 1 284.419 3.062 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001318349180 933711988 /nfs/dbraw/zinc/71/19/88/933711988.db2.gz CKWNUWGIZCLXCL-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC1(C(=O)N(C)[C@@H]2CC[N@H+](CCCC)C2)CCC1 ZINC001318430323 933723495 /nfs/dbraw/zinc/72/34/95/933723495.db2.gz YUJJDQXSUJMZFG-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C1CC(C)(C(=O)N(C)[C@H]2CC[N@H+](CCCCC)C2)C1 ZINC001318426591 933724700 /nfs/dbraw/zinc/72/47/00/933724700.db2.gz AJSYDZQBOMTELJ-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO Nc1ccc(C=[NH+]OCc2ccccc2)cc1Cl ZINC001319658687 933909226 /nfs/dbraw/zinc/90/92/26/933909226.db2.gz YIOJGCFQJBLCAJ-UHFFFAOYSA-N 1 1 260.724 3.473 20 30 CGEDMO C[C@H](N[C@@H]1CCCC[C@@H]1[NH+](C)C)c1cccc(C#N)c1 ZINC001319837773 933942094 /nfs/dbraw/zinc/94/20/94/933942094.db2.gz VFGWGBMHOPLVTE-XKQJLSEDSA-N 1 1 271.408 3.082 20 30 CGEDMO C[C@H](N[C@H]1CCCC[C@H]1[NH+](C)C)c1cccc(C#N)c1 ZINC001319837772 933942331 /nfs/dbraw/zinc/94/23/31/933942331.db2.gz VFGWGBMHOPLVTE-RRQGHBQHSA-N 1 1 271.408 3.082 20 30 CGEDMO C=CCC[N@H+](C)CCC1CCN(C(=O)[C@@H](F)C(C)C)CC1 ZINC001319886396 933951268 /nfs/dbraw/zinc/95/12/68/933951268.db2.gz UDXOHAGXWACHQU-INIZCTEOSA-N 1 1 298.446 3.117 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@@H](C)c1ccc(C)o1 ZINC001320059499 933989900 /nfs/dbraw/zinc/98/99/00/933989900.db2.gz STFLZRDAWSMWFF-HNNXBMFYSA-N 1 1 292.423 3.048 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)/C(C)=C\CC)CC[C@H]21 ZINC001320097477 933998678 /nfs/dbraw/zinc/99/86/78/933998678.db2.gz MJEZQARHEYBTOV-SPMFNHFHSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](CCCc2ccccc2C)C1 ZINC001320161213 934011837 /nfs/dbraw/zinc/01/18/37/934011837.db2.gz WFOKTMZPWZZGEU-KRWDZBQOSA-N 1 1 259.393 3.205 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+]([C@@H](CCOC)c2ccccc2)C1 ZINC001320899657 934119008 /nfs/dbraw/zinc/11/90/08/934119008.db2.gz UFHMYXOFKIEGON-SJORKVTESA-N 1 1 275.392 3.041 20 30 CGEDMO C#CC[N@H+](Cc1cnc(-c2ccco2)s1)CC1CC1 ZINC001320909613 934121063 /nfs/dbraw/zinc/12/10/63/934121063.db2.gz ZDZZVXFXUZNFLV-UHFFFAOYSA-N 1 1 272.373 3.248 20 30 CGEDMO C=CC[C@H]([NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1)C(=O)OCC ZINC001321150035 934156807 /nfs/dbraw/zinc/15/68/07/934156807.db2.gz SKDIQPXQSDBRME-FPCVCCKLSA-N 1 1 279.424 3.443 20 30 CGEDMO Cn1cc(-c2ccc(C[N@@H+]3CCC[C@@](C)(C#N)C3)cc2)cn1 ZINC001321501012 934189832 /nfs/dbraw/zinc/18/98/32/934189832.db2.gz NAYZWURMAPYDTP-SFHVURJKSA-N 1 1 294.402 3.213 20 30 CGEDMO Cn1cc(-c2ccc(C[N@H+]3CCC[C@@](C)(C#N)C3)cc2)cn1 ZINC001321501012 934189836 /nfs/dbraw/zinc/18/98/36/934189836.db2.gz NAYZWURMAPYDTP-SFHVURJKSA-N 1 1 294.402 3.213 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](CCSCc2ccccc2)C1 ZINC001321781703 934212502 /nfs/dbraw/zinc/21/25/02/934212502.db2.gz AMRRHGOKZAPNEI-INIZCTEOSA-N 1 1 277.433 3.197 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H](C)C[N@@H+](C)CC2=CCCCC2)C1 ZINC001322244164 934263933 /nfs/dbraw/zinc/26/39/33/934263933.db2.gz LWMWIZHGYMJGHP-HNNXBMFYSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc(C)cc(F)c1 ZINC001322250292 934265688 /nfs/dbraw/zinc/26/56/88/934265688.db2.gz SIKVFYXEUUQCQX-AWEZNQCLSA-N 1 1 292.398 3.150 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)c1cc(C)c(F)c(C)c1 ZINC001322298418 934273778 /nfs/dbraw/zinc/27/37/78/934273778.db2.gz LSDXTBWEQUWYSK-CQSZACIVSA-N 1 1 292.398 3.069 20 30 CGEDMO C=CCC1(C(=O)N[C@H](C)C[N@@H+](C)CCCF)CCCCC1 ZINC001322306282 934274735 /nfs/dbraw/zinc/27/47/35/934274735.db2.gz IZGRDQGNRFUKPV-OAHLLOKOSA-N 1 1 298.446 3.309 20 30 CGEDMO C=CCC1(C(=O)N[C@H](C)C[N@H+](C)CC[C@@H](C)F)CCCC1 ZINC001322315478 934277238 /nfs/dbraw/zinc/27/72/38/934277238.db2.gz UNEPLOQMXYSFLW-HUUCEWRRSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CNC(=O)CC1(C)CCCCC1 ZINC001323259581 934375625 /nfs/dbraw/zinc/37/56/25/934375625.db2.gz SMRVXFGXTABLTH-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)C1(C2CCC2)CCC1 ZINC001323272393 934378261 /nfs/dbraw/zinc/37/82/61/934378261.db2.gz IOIWZDGDGDNUNU-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCCF)C1 ZINC001323641973 934413490 /nfs/dbraw/zinc/41/34/90/934413490.db2.gz MDXQQLUZGQDXAQ-CVEARBPZSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CCCC ZINC001323683497 934418576 /nfs/dbraw/zinc/41/85/76/934418576.db2.gz DAXZRSNMOHDQLQ-BBWFWOEESA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H](C)CC)C2)C1 ZINC001323800647 934428056 /nfs/dbraw/zinc/42/80/56/934428056.db2.gz AYMRZJNPMPUHIJ-FUHWJXTLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[C@@]2(CC[N@H+](C(C)C)C2)C1 ZINC001323858004 934433371 /nfs/dbraw/zinc/43/33/71/934433371.db2.gz NACISVSZTMSVGV-GOSISDBHSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC001324199159 934471362 /nfs/dbraw/zinc/47/13/62/934471362.db2.gz CMPHGNCIBUMENO-AWEZNQCLSA-N 1 1 269.747 3.256 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC001324199159 934471364 /nfs/dbraw/zinc/47/13/64/934471364.db2.gz CMPHGNCIBUMENO-AWEZNQCLSA-N 1 1 269.747 3.256 20 30 CGEDMO C#CC[N@@H+](CC(=O)C12CC3CC(CC(C3)C1)C2)CC1CC1 ZINC001324383161 934496678 /nfs/dbraw/zinc/49/66/78/934496678.db2.gz WBRMLSXHEHXKEC-UHFFFAOYSA-N 1 1 285.431 3.117 20 30 CGEDMO C#CC[N@H+](CC(=O)C12CC3CC(CC(C3)C1)C2)CC1CC1 ZINC001324383161 934496681 /nfs/dbraw/zinc/49/66/81/934496681.db2.gz WBRMLSXHEHXKEC-UHFFFAOYSA-N 1 1 285.431 3.117 20 30 CGEDMO C[N@H+](Cc1ccc(N2CCCC2)cc1)CC(C)(C)C#N ZINC001324554329 934523311 /nfs/dbraw/zinc/52/33/11/934523311.db2.gz JSWDYGOSNQAVKC-UHFFFAOYSA-N 1 1 271.408 3.268 20 30 CGEDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)CC(C)(C)C#N ZINC001324554329 934523317 /nfs/dbraw/zinc/52/33/17/934523317.db2.gz JSWDYGOSNQAVKC-UHFFFAOYSA-N 1 1 271.408 3.268 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@](C)(NC(=O)C2CC(C)C2)C1 ZINC001324601220 934530353 /nfs/dbraw/zinc/53/03/53/934530353.db2.gz JWLDCBCZALLAFJ-LEOMRAHMSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)CC2CCCCCC2)C1 ZINC001324655299 934540868 /nfs/dbraw/zinc/54/08/68/934540868.db2.gz AMMQLNDANYTJCH-QGZVFWFLSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)CCC2(C)CC2)C1 ZINC001324660700 934542196 /nfs/dbraw/zinc/54/21/96/934542196.db2.gz ISRDEINBDDGELI-QGZVFWFLSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](CCc2ccccc2CC)C1 ZINC001324696053 934550965 /nfs/dbraw/zinc/55/09/65/934550965.db2.gz KPBFZHAYEGVITH-KRWDZBQOSA-N 1 1 259.393 3.068 20 30 CGEDMO CCCCCCCCC[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC001473147144 937794459 /nfs/dbraw/zinc/79/44/59/937794459.db2.gz BHCZHYVLSVDIFS-LSDHHAIUSA-N 1 1 268.445 3.323 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCCC[C@H]1[C@H](O)CC ZINC001473181946 937795888 /nfs/dbraw/zinc/79/58/88/937795888.db2.gz QZJGIDJXNBLBDH-JKSUJKDBSA-N 1 1 251.414 3.196 20 30 CGEDMO C#CC(C)(C)[N@H+](C)C[C@@H](C)COCc1ccccc1 ZINC001473378583 937804025 /nfs/dbraw/zinc/80/40/25/937804025.db2.gz JQLCILJPWJQNDP-OAHLLOKOSA-N 1 1 259.393 3.183 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)Cc1ccnc(C)c1 ZINC001473455012 937807800 /nfs/dbraw/zinc/80/78/00/937807800.db2.gz VULYHTCDNJXHMD-UHFFFAOYSA-N 1 1 250.345 3.025 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccnc(C)c1 ZINC001473455012 937807801 /nfs/dbraw/zinc/80/78/01/937807801.db2.gz VULYHTCDNJXHMD-UHFFFAOYSA-N 1 1 250.345 3.025 20 30 CGEDMO CCOc1ccc2c(c1)C[N@@H+]([C@@H]1CC[C@@H](C#N)C1)CC2 ZINC001324926834 934872415 /nfs/dbraw/zinc/87/24/15/934872415.db2.gz BCUAMTGSJQFUTD-CZUORRHYSA-N 1 1 270.376 3.136 20 30 CGEDMO C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@H](C)[C@H](C)CC)C[C@H]2C1 ZINC001325766799 934928562 /nfs/dbraw/zinc/92/85/62/934928562.db2.gz QTRLGYWWTVLPLW-VQHPVUNQSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)CCCC ZINC001325899924 934938041 /nfs/dbraw/zinc/93/80/41/934938041.db2.gz OMCSPYZEMFOOFA-BZUAXINKSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC(CC)CC ZINC001325919266 934939568 /nfs/dbraw/zinc/93/95/68/934939568.db2.gz HRGHXWPKQSZFDD-CVEARBPZSA-N 1 1 278.440 3.064 20 30 CGEDMO CCOC(=O)C[C@H]1CCC[N@H+]1CCC1(C#N)CCCCC1 ZINC001325995510 934942771 /nfs/dbraw/zinc/94/27/71/934942771.db2.gz RIYSYUIZNTVOSN-OAHLLOKOSA-N 1 1 292.423 3.268 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](CC)C(C)C)CC1 ZINC001327162378 935039033 /nfs/dbraw/zinc/03/90/33/935039033.db2.gz IWNFTDBKEFLVMR-DLBZAZTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)C1CCCCCC1 ZINC001327188240 935042344 /nfs/dbraw/zinc/04/23/44/935042344.db2.gz JDKALHZUTRFGII-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC=CCCC1 ZINC001327225641 935046230 /nfs/dbraw/zinc/04/62/30/935046230.db2.gz PHSATZGVBCDFOE-QGZVFWFLSA-N 1 1 292.467 3.479 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](CCC2CC2)[C@@H](C)C1 ZINC001328256978 935126712 /nfs/dbraw/zinc/12/67/12/935126712.db2.gz LIHCJAWGGQTWKY-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC=CCC1 ZINC001328704388 935160629 /nfs/dbraw/zinc/16/06/29/935160629.db2.gz OUZCRPLNAZFYJH-HUUCEWRRSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC=CCC1 ZINC001328704388 935160634 /nfs/dbraw/zinc/16/06/34/935160634.db2.gz OUZCRPLNAZFYJH-HUUCEWRRSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)CCC1CC1 ZINC001328719229 935163278 /nfs/dbraw/zinc/16/32/78/935163278.db2.gz OJNCNWXWFZCHBL-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C/C(C)=C/CC(=O)N1CCC[C@H]1C[N@@H+](C)CCC(=C)C ZINC001328751777 935166088 /nfs/dbraw/zinc/16/60/88/935166088.db2.gz AROURTRKVGNANP-NDCSFFLDSA-N 1 1 290.451 3.398 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)C[C@H](CC)C(C)C ZINC001328787645 935169083 /nfs/dbraw/zinc/16/90/83/935169083.db2.gz WUOAIKPOXCIXMI-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)C(C)(C)C ZINC001329474172 935218651 /nfs/dbraw/zinc/21/86/51/935218651.db2.gz IIWVBRUMISPMPG-ZIAGYGMSSA-N 1 1 268.445 3.071 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)C[C@H]1C=CCCC1 ZINC001329476308 935219528 /nfs/dbraw/zinc/21/95/28/935219528.db2.gz YZMWORFNQCYPMK-HOTGVXAUSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C1CC2(CCC2)C1 ZINC001329519538 935223169 /nfs/dbraw/zinc/22/31/69/935223169.db2.gz ZAKCVONBFNZZSC-GJZGRUSLSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC2(C)CC2)C(C)(C)C1 ZINC001330222577 935277736 /nfs/dbraw/zinc/27/77/36/935277736.db2.gz PCCGFFCCFDDSFN-HUUCEWRRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](CCC(=C)C)CC1(C)C ZINC001330242536 935280169 /nfs/dbraw/zinc/28/01/69/935280169.db2.gz LUQKGJPRBRLFIJ-OAHLLOKOSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C=C(C)C)C[C@@H]2C1 ZINC001330445480 935287925 /nfs/dbraw/zinc/28/79/25/935287925.db2.gz LGGQVLSQJQRPGL-GVDBMIGSSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCCCCC[N@@H+](C)Cc1cc(Cl)n(C)n1 ZINC001331554471 935392704 /nfs/dbraw/zinc/39/27/04/935392704.db2.gz GXXXBXHMMMKOGF-UHFFFAOYSA-N 1 1 255.793 3.252 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cc(Cl)n(C)n1 ZINC001331554471 935392711 /nfs/dbraw/zinc/39/27/11/935392711.db2.gz GXXXBXHMMMKOGF-UHFFFAOYSA-N 1 1 255.793 3.252 20 30 CGEDMO C=CCCCC(=O)N[C@]12CCC[C@H]1[N@@H+](C/C=C/Cl)CC2 ZINC001332111784 935440641 /nfs/dbraw/zinc/44/06/41/935440641.db2.gz NTQAEGYVBLTZLI-GCYODBRDSA-N 1 1 296.842 3.208 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H](NC(=O)C(F)F)[C@H]1C ZINC001332163427 935444953 /nfs/dbraw/zinc/44/49/53/935444953.db2.gz ZNYKESPUSGADBI-OLZOCXBDSA-N 1 1 290.398 3.191 20 30 CGEDMO CCOC(=O)C1([NH2+]CCCCC2(C#N)CCC2)CCCC1 ZINC001332667779 935480133 /nfs/dbraw/zinc/48/01/33/935480133.db2.gz MSVUGSQLJKQJTL-UHFFFAOYSA-N 1 1 292.423 3.316 20 30 CGEDMO C[C@@H]1C[N@H+](CCCC2CCCCC2)C[C@H](C)N1CC#N ZINC001332723805 935485294 /nfs/dbraw/zinc/48/52/94/935485294.db2.gz HYLKYEWMXRFQIS-IYBDPMFKSA-N 1 1 277.456 3.265 20 30 CGEDMO COC[C@@H]1CCCC[N@@H+](Cc2c(C)cc(C#N)cc2C)C1 ZINC001332883978 935495127 /nfs/dbraw/zinc/49/51/27/935495127.db2.gz GEOXFLYZWCBSHA-MRXNPFEDSA-N 1 1 286.419 3.424 20 30 CGEDMO COC[C@@H]1CCCC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC001332904812 935496408 /nfs/dbraw/zinc/49/64/08/935496408.db2.gz GTZGJVKVHBAGSN-UYSNPLJNSA-N 1 1 264.413 3.065 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CNC(=O)C/C=C(\C)C=C)CC1 ZINC001333376786 935531572 /nfs/dbraw/zinc/53/15/72/935531572.db2.gz DEXWZVSARBUUGQ-LZYBPNLTSA-N 1 1 288.435 3.223 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)CCCC2CCCC2)CC1 ZINC001333458081 935537236 /nfs/dbraw/zinc/53/72/36/935537236.db2.gz NIONBQCSZVSIAO-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO COC1CCC(C[N@@H+](CCC#N)CC(C)(C)C)CC1 ZINC001333640001 935554965 /nfs/dbraw/zinc/55/49/65/935554965.db2.gz GUKRMOMXFFNWCW-UHFFFAOYSA-N 1 1 266.429 3.453 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCCSCC2)CCC1 ZINC001333873803 936072178 /nfs/dbraw/zinc/07/21/78/936072178.db2.gz OALVGTUBSMBBPP-UHFFFAOYSA-N 1 1 252.427 3.289 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](CCCCC2(C#N)CCC2)CCO1 ZINC001333914375 936075623 /nfs/dbraw/zinc/07/56/23/936075623.db2.gz WGFMUYUBVVRKLG-OAHLLOKOSA-N 1 1 264.413 3.207 20 30 CGEDMO COCc1ccc([C@H]2CCC[N@@H+]2Cc2cncc(C#N)c2)o1 ZINC001335800299 936161442 /nfs/dbraw/zinc/16/14/42/936161442.db2.gz HMCYGGYJSHHCAR-MRXNPFEDSA-N 1 1 297.358 3.030 20 30 CGEDMO COCc1ccc([C@H]2CCC[N@H+]2Cc2cncc(C#N)c2)o1 ZINC001335800299 936161447 /nfs/dbraw/zinc/16/14/47/936161447.db2.gz HMCYGGYJSHHCAR-MRXNPFEDSA-N 1 1 297.358 3.030 20 30 CGEDMO C#CC[N@H+](Cc1ccc(Cl)c(OC)c1)C(C)C ZINC001473816497 937822661 /nfs/dbraw/zinc/82/26/61/937822661.db2.gz DCJSZTGZOUYFBP-UHFFFAOYSA-N 1 1 251.757 3.192 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[NH2+]CCN(C(C)C)C(C)C ZINC001473909702 937829388 /nfs/dbraw/zinc/82/93/88/937829388.db2.gz WMCJEAOHSVYIPW-UHFFFAOYSA-N 1 1 287.451 3.384 20 30 CGEDMO Cc1cc(CN2CC[N@H+](C)CC23CCCCC3)ccc1C#N ZINC001474327384 937852089 /nfs/dbraw/zinc/85/20/89/937852089.db2.gz SDFNHRGWLLRCRZ-UHFFFAOYSA-N 1 1 297.446 3.317 20 30 CGEDMO Cc1cc(C[N@H+]2CCN(C)CC23CCCCC3)ccc1C#N ZINC001474327384 937852090 /nfs/dbraw/zinc/85/20/90/937852090.db2.gz SDFNHRGWLLRCRZ-UHFFFAOYSA-N 1 1 297.446 3.317 20 30 CGEDMO Cc1cc(C[N@@H+]2CCN(C)CC23CCCCC3)ccc1C#N ZINC001474327384 937852092 /nfs/dbraw/zinc/85/20/92/937852092.db2.gz SDFNHRGWLLRCRZ-UHFFFAOYSA-N 1 1 297.446 3.317 20 30 CGEDMO C#CC[N@H+](CC#CC)[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC001474369688 937855244 /nfs/dbraw/zinc/85/52/44/937855244.db2.gz OPEOFUYEHAYEFS-MOPGFXCFSA-N 1 1 265.400 3.455 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1cc(Br)c(C)s1 ZINC001474482169 937862223 /nfs/dbraw/zinc/86/22/23/937862223.db2.gz RPORDRUNVMDWNP-QMMMGPOBSA-N 1 1 272.211 3.273 20 30 CGEDMO C#CC[N@H+](Cc1cc(C)cc(Br)c1)C1CC1 ZINC001474531401 937865481 /nfs/dbraw/zinc/86/54/81/937865481.db2.gz ADSPRUXCTPHGFU-UHFFFAOYSA-N 1 1 278.193 3.355 20 30 CGEDMO C=CC[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CC=C)c1ccccc1 ZINC001479272348 937918696 /nfs/dbraw/zinc/91/86/96/937918696.db2.gz UFTDBYLHNULRHR-MSOLQXFVSA-N 1 1 298.430 3.065 20 30 CGEDMO C=CC[C@H](C(=O)N(C)C[C@H]1CC[N@H+]1CC=C)c1ccccc1 ZINC001479272348 937918698 /nfs/dbraw/zinc/91/86/98/937918698.db2.gz UFTDBYLHNULRHR-MSOLQXFVSA-N 1 1 298.430 3.065 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C=C(CC)CC)[C@H]1CC ZINC001479632298 937923548 /nfs/dbraw/zinc/92/35/48/937923548.db2.gz UAPAUUWMOSVIJZ-JKSUJKDBSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@](C)(F)CCCC)[C@H]1C ZINC001479711763 937924022 /nfs/dbraw/zinc/92/40/22/937924022.db2.gz ZPOYDCORUZIUGN-IJEWVQPXSA-N 1 1 284.419 3.060 20 30 CGEDMO C=CCCCC(=O)N1CCCC[C@H]1C[N@@H+](C)CCC1CC1 ZINC001479738194 937924573 /nfs/dbraw/zinc/92/45/73/937924573.db2.gz XXOPWOPPJZMTLX-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CCCCC(C)C ZINC001479737744 937924597 /nfs/dbraw/zinc/92/45/97/937924597.db2.gz VQVHMNNQFNUHOX-KRWDZBQOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC[N@H+](C)CCCNC(=O)[C@@H](C)CC1CCCCC1 ZINC001479799710 937925847 /nfs/dbraw/zinc/92/58/47/937925847.db2.gz ASDNXJLQBXILGF-HNNXBMFYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(Cl)C[N@@H+](CCCNC(=O)C(C)(C)CC)C1CC1 ZINC001479875031 937928047 /nfs/dbraw/zinc/92/80/47/937928047.db2.gz KPVXUEJCZYYGII-UHFFFAOYSA-N 1 1 286.847 3.146 20 30 CGEDMO C=C(Cl)C[N@H+](CCCNC(=O)C(C)(C)CC)C1CC1 ZINC001479875031 937928049 /nfs/dbraw/zinc/92/80/49/937928049.db2.gz KPVXUEJCZYYGII-UHFFFAOYSA-N 1 1 286.847 3.146 20 30 CGEDMO C#CCCCC(=O)NC[C@H]1CCCC[N@@H+]1CC/C=C/CC ZINC001480316135 937936340 /nfs/dbraw/zinc/93/63/40/937936340.db2.gz OITDBNUYLSFOOL-QQOXCAACSA-N 1 1 290.451 3.117 20 30 CGEDMO C=CCC1(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C(C)C)C2)CCC1 ZINC001480385543 937938000 /nfs/dbraw/zinc/93/80/00/937938000.db2.gz ZVCGGEQWHKEZBJ-HOTGVXAUSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)C(C)(C)F)C1 ZINC001480716003 937942879 /nfs/dbraw/zinc/94/28/79/937942879.db2.gz FJYMJPTXRZORMQ-KGLIPLIRSA-N 1 1 284.419 3.012 20 30 CGEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001480740129 937942966 /nfs/dbraw/zinc/94/29/66/937942966.db2.gz VSPONZRPDWPDTL-JKSUJKDBSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CC[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CC=C)c1ccccc1 ZINC001493159045 937948090 /nfs/dbraw/zinc/94/80/90/937948090.db2.gz AKFNAMMPZLYXIO-ROUUACIJSA-N 1 1 298.430 3.113 20 30 CGEDMO CC#CC[N@@H+](CCC)CCNC(=O)[C@H](C)[C@H](C)C(C)(C)C ZINC001493321673 937949506 /nfs/dbraw/zinc/94/95/06/937949506.db2.gz IYVRITPLDBFONU-CVEARBPZSA-N 1 1 294.483 3.156 20 30 CGEDMO CC#CC[N@@H+](CCC)CCNC(=O)[C@@H](C)[C@H](C)C(C)(C)C ZINC001493321675 937949762 /nfs/dbraw/zinc/94/97/62/937949762.db2.gz IYVRITPLDBFONU-HOTGVXAUSA-N 1 1 294.483 3.156 20 30 CGEDMO C=C(C)CC[N@@H+](CCC)CCNC(=O)[C@@H]1CC[C@@H](C)C1 ZINC001493317092 937949852 /nfs/dbraw/zinc/94/98/52/937949852.db2.gz VDHWYEKWSVNPDO-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)C(C)(C)C(F)F)C(C)C ZINC001493870207 937951627 /nfs/dbraw/zinc/95/16/27/937951627.db2.gz GDUJFZKVFHDKEB-UHFFFAOYSA-N 1 1 290.398 3.071 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H](C)CCC)C1 ZINC001493943354 937952231 /nfs/dbraw/zinc/95/22/31/937952231.db2.gz YBQAGTJRHDGTGJ-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCCCF ZINC001493916255 937952303 /nfs/dbraw/zinc/95/23/03/937952303.db2.gz ZSWSBFZPXIFKON-IYBDPMFKSA-N 1 1 296.430 3.158 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H](C)C(C)(C)C)C1 ZINC001494027606 937953046 /nfs/dbraw/zinc/95/30/46/937953046.db2.gz GGNMZXCOOCNPSB-CABCVRRESA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@]2(C)C=CCC2)C1 ZINC001494152454 937953579 /nfs/dbraw/zinc/95/35/79/937953579.db2.gz CAXZMFAYOZDKFC-WMZOPIPTSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001494281405 937953925 /nfs/dbraw/zinc/95/39/25/937953925.db2.gz HWRYXNCSMYJAHD-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC(C[N@H+](C)CC[C@@H](C)F)CC1 ZINC001494201086 937953980 /nfs/dbraw/zinc/95/39/80/937953980.db2.gz CEWAXXVPAQBQBD-CQSZACIVSA-N 1 1 298.446 3.117 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001494327247 937954406 /nfs/dbraw/zinc/95/44/06/937954406.db2.gz VQZBIALTSDRLLR-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=C/C(C)=C/CC(=O)N[C@H]1CCC[N@H+](CCC(=C)C)C1 ZINC001494323640 937954408 /nfs/dbraw/zinc/95/44/08/937954408.db2.gz SMJSFVUSZIJTHW-AHQMPEJBSA-N 1 1 276.424 3.056 20 30 CGEDMO C=CC1(CC(=O)NC2C[NH+](CC[C@@H](C)F)C2)CCCCC1 ZINC001494466582 937954766 /nfs/dbraw/zinc/95/47/66/937954766.db2.gz XCVPTMQMHKEWBR-CQSZACIVSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC1(C(=O)NC2C[NH+](CCC(=C)C)C2)CCCCC1 ZINC001494501153 937954815 /nfs/dbraw/zinc/95/48/15/937954815.db2.gz CBJBAKNCPGGZAG-UHFFFAOYSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)CC(C)C ZINC001494676254 937955591 /nfs/dbraw/zinc/95/55/91/937955591.db2.gz ZGQPETRBMYZXPB-IKGGRYGDSA-N 1 1 292.467 3.310 20 30 CGEDMO C#CCCCC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2C)C1 ZINC001494702260 937955712 /nfs/dbraw/zinc/95/57/12/937955712.db2.gz PZTXNINFSYFRED-SJORKVTESA-N 1 1 298.430 3.050 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)CC2CCC2)C1 ZINC001494812075 937956318 /nfs/dbraw/zinc/95/63/18/937956318.db2.gz DPIQGIFDMQYJKH-HOCLYGCPSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)CC(C)(C)CC)C1 ZINC001494824687 937956520 /nfs/dbraw/zinc/95/65/20/937956520.db2.gz CQRRMMOYMPQHDV-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)CC2(C)CCCCC2)C1 ZINC001494837498 937956549 /nfs/dbraw/zinc/95/65/49/937956549.db2.gz WOXDHSQBTXFXDZ-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](N(C)C(=O)C2(C)CC2)C1 ZINC001494828667 937956563 /nfs/dbraw/zinc/95/65/63/937956563.db2.gz SUGBOAAKVXEPAZ-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](N(CC)C(=O)CCC2CC2)C1 ZINC001494890147 937956961 /nfs/dbraw/zinc/95/69/61/937956961.db2.gz NWZBKZKHTGBZLX-WBVHZDCISA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)CCN(C)C(=O)C(C)(C)C(C)C ZINC001496708009 937963574 /nfs/dbraw/zinc/96/35/74/937963574.db2.gz OAWDGUMWBITACJ-OAHLLOKOSA-N 1 1 282.472 3.414 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)c1cscc1C ZINC001498257591 937968494 /nfs/dbraw/zinc/96/84/94/937968494.db2.gz XDMNCNTXNPGHEP-UONOGXRCSA-N 1 1 294.464 3.461 20 30 CGEDMO C=CCCCC(=O)N[C@@H](C)C[N@@H+](C)CC1CC(C)(C)C1 ZINC001498370034 937969274 /nfs/dbraw/zinc/96/92/74/937969274.db2.gz UDHJDEFXGCOWJE-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)c1ccoc1C(C)C ZINC001498464594 937969912 /nfs/dbraw/zinc/96/99/12/937969912.db2.gz IXSYXFQJGLQMBX-AWEZNQCLSA-N 1 1 292.423 3.419 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC1CC1 ZINC001499501505 937973461 /nfs/dbraw/zinc/97/34/61/937973461.db2.gz GCHAJLAVDFRHKZ-SJORKVTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC ZINC001499496822 937973494 /nfs/dbraw/zinc/97/34/94/937973494.db2.gz AZLVIEMUCGURRF-XHSDSOJGSA-N 1 1 278.440 3.207 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H](C)CC ZINC001499512378 937973774 /nfs/dbraw/zinc/97/37/74/937973774.db2.gz XIQOLJBMSXBBIH-XHSDSOJGSA-N 1 1 278.440 3.064 20 30 CGEDMO C#CCCCC(=O)N[C@]1(C)CC[N@H+](CC/C=C/CCC)C1 ZINC001500211895 937976347 /nfs/dbraw/zinc/97/63/47/937976347.db2.gz DLAFLCQEZQMBLM-GFOMBABLSA-N 1 1 290.451 3.117 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)C[C@H](C)CC)C1 ZINC001500492564 937977576 /nfs/dbraw/zinc/97/75/76/937977576.db2.gz KUSLXCVGRZZYDE-NVXWUHKLSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)/C=C/C(C)(C)C ZINC001501384045 937979556 /nfs/dbraw/zinc/97/95/56/937979556.db2.gz ZAOVSUNZLQCFPM-CABXGAGESA-N 1 1 290.451 3.230 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H](F)CC ZINC001501391271 937979649 /nfs/dbraw/zinc/97/96/49/937979649.db2.gz POMIEJLOSOPNAU-XHSDSOJGSA-N 1 1 296.430 3.156 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@](C)(F)CCCC)CC1 ZINC001502127988 937981443 /nfs/dbraw/zinc/98/14/43/937981443.db2.gz ZBIVMCQWFAVRDS-RDJZCZTQSA-N 1 1 298.446 3.452 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)CC)C[C@H]1C ZINC001502967109 937983859 /nfs/dbraw/zinc/98/38/59/937983859.db2.gz HDTHFUQOOKRLRG-HUUCEWRRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2(CC)CCC2)C[C@@H]1C ZINC001502967022 937983985 /nfs/dbraw/zinc/98/39/85/937983985.db2.gz GVVDYSRPHZIASJ-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)C=C ZINC001505441972 937985487 /nfs/dbraw/zinc/98/54/87/937985487.db2.gz NMJHWVGKHOCJCL-HZPDHXFCSA-N 1 1 292.467 3.476 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCCC1 ZINC001505432565 937985571 /nfs/dbraw/zinc/98/55/71/937985571.db2.gz OIUCEPSTURQCPS-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C1CCCCC1 ZINC001505858350 937987259 /nfs/dbraw/zinc/98/72/59/937987259.db2.gz LMMCHGYVNKBOFD-GJZGRUSLSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)C1CCC(=C)CC1 ZINC001505995056 937988526 /nfs/dbraw/zinc/98/85/26/937988526.db2.gz QOANJNZRNXPGRA-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)C[C@H](C)CC(C)(C)C ZINC001506007278 937988755 /nfs/dbraw/zinc/98/87/55/937988755.db2.gz AJBYDDOEGABTQH-GJZGRUSLSA-N 1 1 282.472 3.461 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@@H](CC)CC(C)C ZINC001506034876 937988843 /nfs/dbraw/zinc/98/88/43/937988843.db2.gz YGVLZWLAKJRKAQ-CABCVRRESA-N 1 1 268.445 3.071 20 30 CGEDMO CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)C(C)C ZINC001506562176 937990622 /nfs/dbraw/zinc/99/06/22/937990622.db2.gz JIHKCLLSMYYWQN-INIZCTEOSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)C[C@H](CC)C(C)C ZINC001506577915 937990960 /nfs/dbraw/zinc/99/09/60/937990960.db2.gz DMTIQILFLBUICX-IRXDYDNUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@@H+]1CCCC2(CN(C(=O)[C@H](C)CCC)C2)C1 ZINC001506855259 937992282 /nfs/dbraw/zinc/99/22/82/937992282.db2.gz GWDZWNUNZTVAMV-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CCC(=O)N1CCC([N@H+](C)C[C@@H](C)CC)CC1 ZINC001506958998 937993269 /nfs/dbraw/zinc/99/32/69/937993269.db2.gz SDTYFQBJJGVYDK-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@]12CCC[C@H]1[N@@H+](CC1CC1)CC2 ZINC001507346995 937995201 /nfs/dbraw/zinc/99/52/01/937995201.db2.gz WQEIPVSTFDTKMA-QAPCUYQASA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CCC(=C)C)[C@@H]1C ZINC001507381912 937995588 /nfs/dbraw/zinc/99/55/88/937995588.db2.gz KQGWMNRSSRMICB-HUUCEWRRSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CNC(=O)c2cccs2)CC1 ZINC001508189932 937998538 /nfs/dbraw/zinc/99/85/38/937998538.db2.gz XKIKOFXNAIDZMX-UHFFFAOYSA-N 1 1 290.432 3.076 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CNC(=O)CC(C)(C)C)CC1 ZINC001508188537 937998615 /nfs/dbraw/zinc/99/86/15/937998615.db2.gz USRJPJLZLGRRGW-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CC[C@@H]1N(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCC1(C)C ZINC001519870374 938021518 /nfs/dbraw/zinc/02/15/18/938021518.db2.gz IYUQQCIUQGVVIJ-HOTGVXAUSA-N 1 1 292.467 3.453 20 30 CGEDMO C=C[C@@H](CC)CC(=O)OCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001525809801 938051582 /nfs/dbraw/zinc/05/15/82/938051582.db2.gz BZYOJVLJBVACOK-AVOUXACISA-N 1 1 265.397 3.005 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001542262636 938135546 /nfs/dbraw/zinc/13/55/46/938135546.db2.gz QLOLEEXSINWCTG-XHSDSOJGSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCC1 ZINC001544642180 938146293 /nfs/dbraw/zinc/14/62/93/938146293.db2.gz FXNUKALATNHQTH-HNNXBMFYSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC1(CNC(=O)c2ccc(C[NH+](C)C)o2)CCCC1 ZINC001556586716 938204428 /nfs/dbraw/zinc/20/44/28/938204428.db2.gz BLLKIHQUUPRBQA-UHFFFAOYSA-N 1 1 290.407 3.208 20 30 CGEDMO C#CC[N@H+](C[Si](C)(C)C)[C@H]1CCc2ccccc21 ZINC001559499492 938227537 /nfs/dbraw/zinc/22/75/37/938227537.db2.gz VLDSXHZLVMOSAU-INIZCTEOSA-N 1 1 257.453 3.487 20 30 CGEDMO CC[C@@H]1C[C@H]1C[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC001559523084 938228419 /nfs/dbraw/zinc/22/84/19/938228419.db2.gz GIIONBIRJVDQPS-SJORKVTESA-N 1 1 272.392 3.053 20 30 CGEDMO COc1ccc(C[C@@H]2CC[N@H+]2Cc2ccc(C#N)s2)cc1 ZINC001559591947 938230456 /nfs/dbraw/zinc/23/04/56/938230456.db2.gz FTIGCWOOSNBFKU-AWEZNQCLSA-N 1 1 298.411 3.445 20 30 CGEDMO C=C(C)CN1CC[N@@H+](Cc2ccccc2)[C@H](CC)C1 ZINC001559734255 938234026 /nfs/dbraw/zinc/23/40/26/938234026.db2.gz JWIXMKPRAVWJCS-QGZVFWFLSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C(C)C[N@@H+]1CCN(Cc2ccccc2)[C@H](CC)C1 ZINC001559734255 938234027 /nfs/dbraw/zinc/23/40/27/938234027.db2.gz JWIXMKPRAVWJCS-QGZVFWFLSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C(C)C[N@H+]1CCN(Cc2ccccc2)[C@H](CC)C1 ZINC001559734255 938234028 /nfs/dbraw/zinc/23/40/28/938234028.db2.gz JWIXMKPRAVWJCS-QGZVFWFLSA-N 1 1 258.409 3.159 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](CC(=O)OC(C)(C)C)CC(C)(C)C ZINC001560021092 938241747 /nfs/dbraw/zinc/24/17/47/938241747.db2.gz XPEOGQVCLOACPE-AWEZNQCLSA-N 1 1 299.455 3.003 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](CC(=O)OC(C)(C)C)CC(C)(C)C ZINC001560021092 938241748 /nfs/dbraw/zinc/24/17/48/938241748.db2.gz XPEOGQVCLOACPE-AWEZNQCLSA-N 1 1 299.455 3.003 20 30 CGEDMO C=CCCCC[N@@H+]1C[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC001560054207 938242782 /nfs/dbraw/zinc/24/27/82/938242782.db2.gz VMTDRIPRZOYWQA-ZIAGYGMSSA-N 1 1 282.428 3.330 20 30 CGEDMO CCCC[N@@H+](CC#CCOC)Cc1c(C)oc(C)c1C ZINC001560163774 938245875 /nfs/dbraw/zinc/24/58/75/938245875.db2.gz AJDALXCNNYJWBP-UHFFFAOYSA-N 1 1 277.408 3.457 20 30 CGEDMO Cc1ccc(C[NH2+]CC2(C#N)CCOCC2)c(Cl)c1 ZINC001560617181 938265652 /nfs/dbraw/zinc/26/56/52/938265652.db2.gz LLSSMXKEZRVSIT-UHFFFAOYSA-N 1 1 278.783 3.058 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Br)nc1)C(C)C ZINC001560653572 938268329 /nfs/dbraw/zinc/26/83/29/938268329.db2.gz WQZFBCCBFMNSBZ-UHFFFAOYSA-N 1 1 269.186 3.241 20 30 CGEDMO C[C@H]1CCC[C@H](C)[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC001307480028 957724519 /nfs/dbraw/zinc/72/45/19/957724519.db2.gz SZEUHPZLEDSGRD-STQMWFEESA-N 1 1 287.363 3.477 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)C[C@@H](C)c1ccccc1 ZINC001496831257 957738277 /nfs/dbraw/zinc/73/82/77/957738277.db2.gz LBTVAFXWQBYYON-MRXNPFEDSA-N 1 1 288.435 3.147 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)/C=C\C(C)(C)C)[C@H]1CC ZINC001316729773 960430756 /nfs/dbraw/zinc/43/07/56/960430756.db2.gz IBFGQUSQKUVCCA-MHVKHXTKSA-N 1 1 298.858 3.310 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)/C=C\C(C)(C)C)[C@H]1CC ZINC001316729773 960430762 /nfs/dbraw/zinc/43/07/62/960430762.db2.gz IBFGQUSQKUVCCA-MHVKHXTKSA-N 1 1 298.858 3.310 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H](CNC(=O)C[C@@H]2C=CCC2)C1 ZINC001566866573 960572911 /nfs/dbraw/zinc/57/29/11/960572911.db2.gz ZRZKHRVKMDAYFY-SJORKVTESA-N 1 1 290.451 3.137 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]([N@@H+](C)CCC(=C)C)C1 ZINC001567198891 960579016 /nfs/dbraw/zinc/57/90/16/960579016.db2.gz QIPOSJWMKCDEIS-AEFFLSMTSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC(C)(C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCCCC ZINC001565827300 960581125 /nfs/dbraw/zinc/58/11/25/960581125.db2.gz AGCBEDFHSCABEJ-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC(C)(C)C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CC(C)C1 ZINC001565828926 960585373 /nfs/dbraw/zinc/58/53/73/960585373.db2.gz ULOIQOMJYGMRDG-UYSNPLJNSA-N 1 1 292.467 3.168 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](CCCC)C(C)C)C1 ZINC001567928136 960603669 /nfs/dbraw/zinc/60/36/69/960603669.db2.gz CBRDFHVEVSRFIE-IRXDYDNUSA-N 1 1 292.467 3.005 20 30 CGEDMO CCCCCCCCNC(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC001564373040 960638300 /nfs/dbraw/zinc/63/83/00/960638300.db2.gz LNJQHCBUSUVBOL-UHFFFAOYSA-N 1 1 297.487 3.378 20 30 CGEDMO C=C(CC(C)C)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001565752329 960822127 /nfs/dbraw/zinc/82/21/27/960822127.db2.gz MCZPNCVCSKPDSP-INIZCTEOSA-N 1 1 288.435 3.225 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H](C)CC(C)C ZINC001565831827 960831569 /nfs/dbraw/zinc/83/15/69/960831569.db2.gz OMZJXWZWPISUNM-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H](C=C)c1ccccc1 ZINC001565835422 960841855 /nfs/dbraw/zinc/84/18/55/960841855.db2.gz MQAHJZFLDFZNJL-WMZOPIPTSA-N 1 1 298.430 3.065 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C2(CC=C)CCC2)[C@H]1C ZINC001566101995 960877819 /nfs/dbraw/zinc/87/78/19/960877819.db2.gz FYAOVNHRKQPHEH-CVEARBPZSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1CC[N@@H+](CCC(C)C)[C@@H]1C ZINC001566102191 960883950 /nfs/dbraw/zinc/88/39/50/960883950.db2.gz MTWHZDDWTDLMBA-VYDXJSESSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@@H+](CC(=C)C)[C@@H]2C)CCCC1 ZINC001566117209 960892397 /nfs/dbraw/zinc/89/23/97/960892397.db2.gz IOZJZJVWZQPXPH-CVEARBPZSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCNC(=O)[C@@H]1CCCC[C@H]1C ZINC001566487330 960944478 /nfs/dbraw/zinc/94/44/78/960944478.db2.gz XSYAFVPCIIZYOL-TZMCWYRMSA-N 1 1 286.847 3.003 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCNC(=O)[C@@H]1CCCC[C@H]1C ZINC001566487330 960944487 /nfs/dbraw/zinc/94/44/87/960944487.db2.gz XSYAFVPCIIZYOL-TZMCWYRMSA-N 1 1 286.847 3.003 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)C[C@H]1CC=CCC1 ZINC001566560703 960954890 /nfs/dbraw/zinc/95/48/90/960954890.db2.gz RZBPYYCWFMTJEZ-INIZCTEOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C1CC(C)(C(=O)NCCC[N@H+](CCCC)C2CC2)C1 ZINC001566596638 960963238 /nfs/dbraw/zinc/96/32/38/960963238.db2.gz NIHLKWQUWRNNQS-UHFFFAOYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)C1CCC1 ZINC001566923772 961057263 /nfs/dbraw/zinc/05/72/63/961057263.db2.gz ZIDYLSYPCRBGCZ-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001566963816 961078755 /nfs/dbraw/zinc/07/87/55/961078755.db2.gz ZSSQNJZBOLNNSH-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]([N@@H+](C)CCCCCF)C1 ZINC001567188674 961129284 /nfs/dbraw/zinc/12/92/84/961129284.db2.gz RRVKWKGEVUDDFY-HNNXBMFYSA-N 1 1 284.419 3.015 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)C2(C)CCC2)C1 ZINC001567195910 961139237 /nfs/dbraw/zinc/13/92/37/961139237.db2.gz DKVCLYCLYTZSLQ-HOTGVXAUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(CC)CC)C1 ZINC001567202804 961140239 /nfs/dbraw/zinc/14/02/39/961140239.db2.gz LFFIZFYWNXAAKX-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](C)CC ZINC001567243952 961156233 /nfs/dbraw/zinc/15/62/33/961156233.db2.gz BTHBZVXPRBGOLY-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC1(C(=O)NCCC[C@H]2CCC[N@@H+]2CCF)CCC1 ZINC001567261945 961157794 /nfs/dbraw/zinc/15/77/94/961157794.db2.gz RBGPQFQAHSFUDX-HNNXBMFYSA-N 1 1 296.430 3.063 20 30 CGEDMO C=C(C)C[N@@H+](C)CCNC(=O)c1cccc2ccccc21 ZINC001567316895 961277256 /nfs/dbraw/zinc/27/72/56/961277256.db2.gz XGGODHJYPCUKFK-UHFFFAOYSA-N 1 1 282.387 3.078 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)C(C)=C1CCC1 ZINC001567364067 961310588 /nfs/dbraw/zinc/31/05/88/961310588.db2.gz BCRMEVIMYWYOLE-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](CNC(=O)/C=C\C(C)(C)C)C1 ZINC001567395411 961319514 /nfs/dbraw/zinc/31/95/14/961319514.db2.gz JEIIJNHWDQAXMS-VTBBSMOISA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)C(CC)CC)C1 ZINC001567404620 961322407 /nfs/dbraw/zinc/32/24/07/961322407.db2.gz AXKSCZQJVRFRTD-CVEARBPZSA-N 1 1 294.483 3.463 20 30 CGEDMO C#CCC[N@H+](CCCNC(=O)[C@H]1CCCC1(C)C)C(C)C ZINC001567647178 961375372 /nfs/dbraw/zinc/37/53/72/961375372.db2.gz DSFHOJOYVHQQGE-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](CCNC(=O)C=C2CCC2)C1 ZINC001567697267 961404404 /nfs/dbraw/zinc/40/44/04/961404404.db2.gz ZHZDYYCEOGLYBE-RDJZCZTQSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CCC(=O)NCC[C@@H]1CC[N@H+](C[C@@H](C)CC)C1 ZINC001567701187 961405533 /nfs/dbraw/zinc/40/55/33/961405533.db2.gz DOMNOZUPDXTDJI-JKSUJKDBSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC(C)(C)C(=O)NCC[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001567709524 961406833 /nfs/dbraw/zinc/40/68/33/961406833.db2.gz QATDFQHTMXBNTJ-MRXNPFEDSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001567714198 961416816 /nfs/dbraw/zinc/41/68/16/961416816.db2.gz GOKHUKIDQYJPRY-SJLPKXTDSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@H+]([C@H](CC)c2ccccc2)C1 ZINC001567870086 961440116 /nfs/dbraw/zinc/44/01/16/961440116.db2.gz DINQVEYHWVPAOS-DLBZAZTESA-N 1 1 286.419 3.294 20 30 CGEDMO C=CCC(CC=C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC(=C)C ZINC001567857183 961446685 /nfs/dbraw/zinc/44/66/85/961446685.db2.gz VOAZQIXMGYXXBR-IRXDYDNUSA-N 1 1 288.435 3.006 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)C(C)=C2CCCC2)C1 ZINC001567935463 961463234 /nfs/dbraw/zinc/46/32/34/961463234.db2.gz GTQVJYVYHOZNEU-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C/C(C)=C\CC(=O)N(CC)[C@H]1CC[N@@H+](CCC(=C)C)C1 ZINC001567940515 961475407 /nfs/dbraw/zinc/47/54/07/961475407.db2.gz HKSGSGWQCBOXQW-KZRVJCNKSA-N 1 1 290.451 3.398 20 30 CGEDMO C=C(C)C[N@H+](C)CCC1CCN(C(=O)CCCC)CC1 ZINC001568435902 961576993 /nfs/dbraw/zinc/57/69/93/961576993.db2.gz UQFOWRWVLDIKDK-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)c1ccc(F)cc1 ZINC001568473018 961581098 /nfs/dbraw/zinc/58/10/98/961581098.db2.gz KFYVZPJIQFISET-AWEZNQCLSA-N 1 1 292.398 3.184 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)c1cscc1C ZINC001568478457 961593122 /nfs/dbraw/zinc/59/31/22/961593122.db2.gz NPAXJHRPJQLERW-UHFFFAOYSA-N 1 1 280.437 3.027 20 30 CGEDMO C=CC[N@H+](C)CCN(C)C(=O)[C@H](C)c1cccc(Cl)c1 ZINC001568506045 961604857 /nfs/dbraw/zinc/60/48/57/961604857.db2.gz IKSXWIKXSGTLKV-CYBMUJFWSA-N 1 1 294.826 3.020 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)c1cccc(C)c1 ZINC001569141105 961696451 /nfs/dbraw/zinc/69/64/51/961696451.db2.gz KMRMDYDGTWPSFS-HOTGVXAUSA-N 1 1 288.435 3.111 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)c1csc(Cl)c1 ZINC001569141390 961697991 /nfs/dbraw/zinc/69/79/91/961697991.db2.gz PMRPFVHHYYWNCV-JTQLQIEISA-N 1 1 286.828 3.028 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)c1ccc2ccccc2c1 ZINC001569149262 961706458 /nfs/dbraw/zinc/70/64/58/961706458.db2.gz ZDOFIHUWXIDHIP-HNNXBMFYSA-N 1 1 296.414 3.466 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)c1sccc1CC ZINC001569383337 961749025 /nfs/dbraw/zinc/74/90/25/961749025.db2.gz PBCTWUSFMLVOSW-CQSZACIVSA-N 1 1 292.448 3.081 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C1(CC)CCC1 ZINC001569370057 961751180 /nfs/dbraw/zinc/75/11/80/961751180.db2.gz LTGLSTWITZFDHG-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccsc1 ZINC001569371759 961752543 /nfs/dbraw/zinc/75/25/43/961752543.db2.gz ZBUBMIPJONPWMC-ZFWWWQNUSA-N 1 1 292.448 3.041 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@@H]1CC[N@H+]1Cc1ccsc1 ZINC001569371759 961752559 /nfs/dbraw/zinc/75/25/59/961752559.db2.gz ZBUBMIPJONPWMC-ZFWWWQNUSA-N 1 1 292.448 3.041 20 30 CGEDMO C=CCC[N@@H+](CC1CC1)C1CCN(C(=O)CCCC)CC1 ZINC001569450961 961766983 /nfs/dbraw/zinc/76/69/83/961766983.db2.gz OOJAPOWDHRLRQU-UHFFFAOYSA-N 1 1 292.467 3.456 20 30 CGEDMO C#CC[N@H+](CCNC(=O)/C(C)=C\CC)C1CCCCCC1 ZINC001569448205 961769842 /nfs/dbraw/zinc/76/98/42/961769842.db2.gz KZWXDWPPVIYQLB-YBEGLDIGSA-N 1 1 290.451 3.117 20 30 CGEDMO C=CCCC(=O)N1CC[C@@]2(CC[N@H+]([C@@H](C)CCC=C)C2)C1 ZINC001569475292 961775746 /nfs/dbraw/zinc/77/57/46/961775746.db2.gz QZSXGBFQGWELOA-FUHWJXTLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCCC)C2 ZINC001569622367 961798472 /nfs/dbraw/zinc/79/84/72/961798472.db2.gz CIMBPHRJGZHXBQ-QGZVFWFLSA-N 1 1 278.440 3.067 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](C)C(CC)CC)C1 ZINC001569643331 961809005 /nfs/dbraw/zinc/80/90/05/961809005.db2.gz WQGBEDUHKCWKMU-WMLDXEAASA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)C/C=C(/C)C=C)C1 ZINC001569644739 961809179 /nfs/dbraw/zinc/80/91/79/961809179.db2.gz OUFOQPLVLWQZHX-BAPRJRNISA-N 1 1 276.424 3.056 20 30 CGEDMO C#CCCCCC(=O)N[C@@]1(C)CC[N@H+](CCCC(C)C)C1 ZINC001569636128 961810130 /nfs/dbraw/zinc/81/01/30/961810130.db2.gz WOWLRPNWQUPTBY-SFHVURJKSA-N 1 1 292.467 3.197 20 30 CGEDMO C#CCCCC(=O)N[C@@]1(C)CC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC001569638305 961811647 /nfs/dbraw/zinc/81/16/47/961811647.db2.gz XWLLCFWMCWHGNF-WMZOPIPTSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)C2(CC)CCCC2)C1 ZINC001569723198 961837753 /nfs/dbraw/zinc/83/77/53/961837753.db2.gz DGJXDKLEODXFPW-KRWDZBQOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N(C)CCC[N@H+](C)CC(C)C ZINC001570204643 961923122 /nfs/dbraw/zinc/92/31/22/961923122.db2.gz YLWYIMZYEVMFSI-UHFFFAOYSA-N 1 1 268.445 3.025 20 30 CGEDMO C=CC[N@H+](C)CCCN(C)C(=O)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001570217990 961931044 /nfs/dbraw/zinc/93/10/44/961931044.db2.gz HEDRVEKDRPKBBY-ZSHCYNCHSA-N 1 1 280.456 3.025 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@]2(CC[N@H+](CCCF)C2)C1 ZINC001570275094 961939858 /nfs/dbraw/zinc/93/98/58/961939858.db2.gz PCNNTHMRNXRCIH-QGZVFWFLSA-N 1 1 296.430 3.017 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC2CC2)CC1(C)C ZINC001570398168 961963449 /nfs/dbraw/zinc/96/34/49/961963449.db2.gz WWNDZWQBLYCNSS-HNNXBMFYSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[N@@H+](CC(=C)C)[C@@H](C)C1 ZINC001570437519 961969099 /nfs/dbraw/zinc/96/90/99/961969099.db2.gz NXRNUUZWWHCEOR-GJZGRUSLSA-N 1 1 278.440 3.134 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC1CCN(C(=O)[C@H]2CC2(C)C)CC1 ZINC001570500326 961981757 /nfs/dbraw/zinc/98/17/57/961981757.db2.gz QBBUBHDYAJBRJO-MRXNPFEDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC(=O)NC[C@@H](C)[N@@H+](C)[C@@H](C)c1cccc(C)c1 ZINC001570700895 962039843 /nfs/dbraw/zinc/03/98/43/962039843.db2.gz YHLUZRBPKNSQFK-CVEARBPZSA-N 1 1 288.435 3.459 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)CCC2CCCCC2)C(C)(C)C1 ZINC001570909532 962108015 /nfs/dbraw/zinc/10/80/15/962108015.db2.gz LNJVPQYRGLSDKN-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)CCC2CCCCC2)C(C)(C)C1 ZINC001570909531 962112261 /nfs/dbraw/zinc/11/22/61/962112261.db2.gz LNJVPQYRGLSDKN-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCC)C[C@H]2C1 ZINC001571024123 962116650 /nfs/dbraw/zinc/11/66/50/962116650.db2.gz UHQDWJWLUOCYCL-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)C2(C)CC2)CC1 ZINC001571331428 962132548 /nfs/dbraw/zinc/13/25/48/962132548.db2.gz VPDZCOJUFKEYCW-AWEZNQCLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)[C@H]2CC23CC3)CC1 ZINC001571334405 962136736 /nfs/dbraw/zinc/13/67/36/962136736.db2.gz XFWYPUCYBKUHFG-GOEBONIOSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)C2(C)CCCC2)CC1 ZINC001571332484 962137881 /nfs/dbraw/zinc/13/78/81/962137881.db2.gz HXAYOGSZMXZZGT-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CCC(=O)N(C)C[C@H](C)[NH2+]C/C(Cl)=C/Cl ZINC001571389280 962147430 /nfs/dbraw/zinc/14/74/30/962147430.db2.gz IECPZLBMTKVHHN-ZWIPKHHJSA-N 1 1 293.238 3.098 20 30 CGEDMO C=CC[NH2+][C@H](C)c1nc(-c2ccc(F)c(C)c2)no1 ZINC000298851807 260164361 /nfs/dbraw/zinc/16/43/61/260164361.db2.gz DAOFMJCPIUWDMV-SNVBAGLBSA-N 1 1 261.300 3.021 20 30 CGEDMO N#Cc1c(F)cccc1C[NH+]1CCC2(CCC2)CC1 ZINC000589995138 346820772 /nfs/dbraw/zinc/82/07/72/346820772.db2.gz XFFXJBLQGODIRJ-UHFFFAOYSA-N 1 1 258.340 3.463 20 30 CGEDMO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCN(CC)C2)C1 ZINC000651692896 398270352 /nfs/dbraw/zinc/27/03/52/398270352.db2.gz WBKJEAVFRXJFRZ-BZUAXINKSA-N 1 1 250.430 3.053 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCS[C@@H](c3ccccc3)C2)C1 ZINC000590161674 346833546 /nfs/dbraw/zinc/83/35/46/346833546.db2.gz GJLRNDFWTMLZMN-VNQPRFMTSA-N 1 1 272.417 3.469 20 30 CGEDMO COc1ccccc1[C@@H]1CCCC[N@H+]1CCOCCC#N ZINC000590160097 346833690 /nfs/dbraw/zinc/83/36/90/346833690.db2.gz JJMKKFGPHBZRMG-INIZCTEOSA-N 1 1 288.391 3.152 20 30 CGEDMO COc1cc(C[NH2+]C[C@@H](C)C#N)cc2ccccc21 ZINC000590649100 346858941 /nfs/dbraw/zinc/85/89/41/346858941.db2.gz SLAHLAATQHQZMJ-LBPRGKRZSA-N 1 1 254.333 3.098 20 30 CGEDMO C=CC[C@@H]1CC[C@H](Nc2cc(CCOC)cc[nH+]2)C1 ZINC000651805584 398290181 /nfs/dbraw/zinc/29/01/81/398290181.db2.gz WLDYBSFFDBWJLL-HIFRSBDPSA-N 1 1 260.381 3.427 20 30 CGEDMO N#CCCC[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000096981638 185145415 /nfs/dbraw/zinc/14/54/15/185145415.db2.gz MLICQDXRTNIZNU-INIZCTEOSA-N 1 1 251.333 3.064 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cc(F)c(OC)cc1OC ZINC000651787780 398288871 /nfs/dbraw/zinc/28/88/71/398288871.db2.gz GZAQGSIRBUDZHY-CYBMUJFWSA-N 1 1 279.355 3.383 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(F)c(OC)cc1OC ZINC000651787780 398288876 /nfs/dbraw/zinc/28/88/76/398288876.db2.gz GZAQGSIRBUDZHY-CYBMUJFWSA-N 1 1 279.355 3.383 20 30 CGEDMO C=CC[C@H]1CC[C@H]([NH2+]CCc2ccc3cn[nH]c3c2)C1 ZINC000651796959 398289208 /nfs/dbraw/zinc/28/92/08/398289208.db2.gz OBERLQBNEFWVEZ-BBRMVZONSA-N 1 1 269.392 3.440 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)[C@@H](C)CCO)cc1Cl ZINC000652047101 398320264 /nfs/dbraw/zinc/32/02/64/398320264.db2.gz HLIXHMXMLQBLNA-LBPRGKRZSA-N 1 1 283.799 3.108 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000652062727 398322224 /nfs/dbraw/zinc/32/22/24/398322224.db2.gz UPTKJPBPYDBRPR-OAHLLOKOSA-N 1 1 279.330 3.483 20 30 CGEDMO C[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1cc2n(n1)CCC2 ZINC000591241457 346910890 /nfs/dbraw/zinc/91/08/90/346910890.db2.gz VEBZYRDUQBSKNL-PXAZEXFGSA-N 1 1 292.386 3.039 20 30 CGEDMO CN(Cc1ccc(C(C)(C)C#N)cc1)C[C@H]1CCC[N@H+]1C ZINC000591479452 346927096 /nfs/dbraw/zinc/92/70/96/346927096.db2.gz CEBRIHMTGRZUNO-QGZVFWFLSA-N 1 1 285.435 3.014 20 30 CGEDMO CN1CCC[C@@H]1C[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000591479452 346927099 /nfs/dbraw/zinc/92/70/99/346927099.db2.gz CEBRIHMTGRZUNO-QGZVFWFLSA-N 1 1 285.435 3.014 20 30 CGEDMO CN1CCC[C@@H]1C[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000591479452 346927101 /nfs/dbraw/zinc/92/71/01/346927101.db2.gz CEBRIHMTGRZUNO-QGZVFWFLSA-N 1 1 285.435 3.014 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000591582577 346929963 /nfs/dbraw/zinc/92/99/63/346929963.db2.gz MCPQRVOZNAHFMV-WMZOPIPTSA-N 1 1 295.430 3.200 20 30 CGEDMO CCOc1ccc([C@@H](C)[NH2+]Cc2ccncc2C#N)cc1 ZINC000592091705 346962855 /nfs/dbraw/zinc/96/28/55/346962855.db2.gz BBWFWANUPUDAQU-CYBMUJFWSA-N 1 1 281.359 3.203 20 30 CGEDMO COCC[N@@H+](CC1=CCCC1)Cc1ccc(C#N)cc1 ZINC000592068370 346958870 /nfs/dbraw/zinc/95/88/70/346958870.db2.gz ZVPIWARDVYVSHV-UHFFFAOYSA-N 1 1 270.376 3.117 20 30 CGEDMO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1ccncc1C#N ZINC000592071523 346960836 /nfs/dbraw/zinc/96/08/36/346960836.db2.gz JUAYNWVCSMMELV-KBXCAEBGSA-N 1 1 277.371 3.331 20 30 CGEDMO Cc1ccc(C[N@H+](Cc2ccnc(C#N)c2)CC2CC2)cn1 ZINC000592146959 346967051 /nfs/dbraw/zinc/96/70/51/346967051.db2.gz XFORIJDSDHVROA-UHFFFAOYSA-N 1 1 292.386 3.069 20 30 CGEDMO CC[N@H+](CC#Cc1ccccc1Cl)CCSC ZINC000592203268 346972240 /nfs/dbraw/zinc/97/22/40/346972240.db2.gz LSLOOAKWHYBJJY-UHFFFAOYSA-N 1 1 267.825 3.376 20 30 CGEDMO C[N@@H+](CCC1CC1)Cc1ccc(C#N)cc1OC(F)F ZINC000441259769 529876387 /nfs/dbraw/zinc/87/63/87/529876387.db2.gz LWTZEEOISVFHCP-UHFFFAOYSA-N 1 1 280.318 3.392 20 30 CGEDMO C[N@@H+](CCCC(=O)OC(C)(C)C)CC(C)(C)CCC#N ZINC000353442979 529880490 /nfs/dbraw/zinc/88/04/90/529880490.db2.gz DSAUCZMIPNRZFP-UHFFFAOYSA-N 1 1 282.428 3.370 20 30 CGEDMO CC[C@H]([NH2+]C1CCC(C)(C#N)CC1)C(=O)OC(C)(C)C ZINC000592399631 346984555 /nfs/dbraw/zinc/98/45/55/346984555.db2.gz PAJJFKCZFVZDRB-UYJPIKCFSA-N 1 1 280.412 3.169 20 30 CGEDMO CC(C)[C@H]1[N@@H+](C[C@H](C#N)CCC#N)CC12CC=CC2 ZINC000592446647 346987042 /nfs/dbraw/zinc/98/70/42/346987042.db2.gz KZMUZKUXPAMQEI-LSDHHAIUSA-N 1 1 257.381 3.107 20 30 CGEDMO CC(C)C[C@H](C[N@H+]1CC[C@@](O)(CC#N)C1)c1ccccc1 ZINC000592521793 346995780 /nfs/dbraw/zinc/99/57/80/346995780.db2.gz CBSXKOBNDCSQPY-MSOLQXFVSA-N 1 1 286.419 3.167 20 30 CGEDMO COC(=O)[C@H](CC(C)(C)C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000592526864 346996251 /nfs/dbraw/zinc/99/62/51/346996251.db2.gz RUXWXTKZPRCSRO-UYJPIKCFSA-N 1 1 280.412 3.026 20 30 CGEDMO CN(CC[N@H+](C)Cc1cccc(F)c1C#N)c1ccccc1 ZINC000428241639 529904503 /nfs/dbraw/zinc/90/45/03/529904503.db2.gz FUSZFFGFZBIBNW-UHFFFAOYSA-N 1 1 297.377 3.266 20 30 CGEDMO CN(CC[N@@H+](C)Cc1cccc(F)c1C#N)c1ccccc1 ZINC000428241639 529904505 /nfs/dbraw/zinc/90/45/05/529904505.db2.gz FUSZFFGFZBIBNW-UHFFFAOYSA-N 1 1 297.377 3.266 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCc2ccc(F)cc2[C@@H](C)C1 ZINC000593116375 347041549 /nfs/dbraw/zinc/04/15/49/347041549.db2.gz LLTHBEWFCXLQMQ-STQMWFEESA-N 1 1 260.356 3.480 20 30 CGEDMO CC(C)[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)CC1CC1 ZINC000042582870 344985387 /nfs/dbraw/zinc/98/53/87/344985387.db2.gz JYOYTUDMBGIGPN-UHFFFAOYSA-N 1 1 285.391 3.007 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)CC1CCCCC1 ZINC000044715112 345015897 /nfs/dbraw/zinc/01/58/97/345015897.db2.gz RBDWVJNWTUYOHG-UHFFFAOYSA-N 1 1 299.418 3.399 20 30 CGEDMO C[N@@H+](CCCC#N)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132952 345087582 /nfs/dbraw/zinc/08/75/82/345087582.db2.gz FNNOIDVGQPSJFO-IAGOWNOFSA-N 1 1 272.392 3.390 20 30 CGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ncccc2C#N)C1 ZINC000053580507 345122835 /nfs/dbraw/zinc/12/28/35/345122835.db2.gz XAVPLHUWTMQWOX-PBHICJAKSA-N 1 1 292.386 3.201 20 30 CGEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc(C#N)cn2)C1 ZINC000053580421 345122894 /nfs/dbraw/zinc/12/28/94/345122894.db2.gz SWXNPWPVWDSOFX-YOEHRIQHSA-N 1 1 292.386 3.201 20 30 CGEDMO COc1ccc(CCC2CC[NH+](CCC#N)CC2)cc1 ZINC000053847285 345125706 /nfs/dbraw/zinc/12/57/06/345125706.db2.gz MIXVAPJBWSXUFL-UHFFFAOYSA-N 1 1 272.392 3.253 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C)CC2)c1C ZINC000060476981 345217855 /nfs/dbraw/zinc/21/78/55/345217855.db2.gz BGHHIDLFLMAHCL-UHFFFAOYSA-N 1 1 274.408 3.206 20 30 CGEDMO C[C@H]([NH2+]Cc1nc2ccccc2n1C)c1ccc(C#N)cc1 ZINC000066989678 345311118 /nfs/dbraw/zinc/31/11/18/345311118.db2.gz QHRZWFCTNHXTFR-ZDUSSCGKSA-N 1 1 290.370 3.296 20 30 CGEDMO COc1cc(C[N@@H+](C)CCCCC#N)ccc1OC(F)F ZINC000071016368 345400787 /nfs/dbraw/zinc/40/07/87/345400787.db2.gz FKXVKMIGQIPYRG-UHFFFAOYSA-N 1 1 298.333 3.422 20 30 CGEDMO CC[C@@H](C)C[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075720970 345520424 /nfs/dbraw/zinc/52/04/24/345520424.db2.gz OWWVWXKSCNMEHQ-GFCCVEGCSA-N 1 1 284.363 3.086 20 30 CGEDMO C=CCCCN(C)C(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000076490144 345544770 /nfs/dbraw/zinc/54/47/70/345544770.db2.gz WPBKHPXUZXKBBU-QGZVFWFLSA-N 1 1 286.419 3.076 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](O)COCc1ccccc1Cl ZINC000077176949 345558385 /nfs/dbraw/zinc/55/83/85/345558385.db2.gz MQAGZANBENGNDQ-OAHLLOKOSA-N 1 1 297.826 3.116 20 30 CGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCCCC[C@H]1C ZINC000077313977 345568533 /nfs/dbraw/zinc/56/85/33/345568533.db2.gz HCNXTZCOOKVDMI-CQSZACIVSA-N 1 1 288.391 3.210 20 30 CGEDMO N#CCSCCC[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000080629710 345680525 /nfs/dbraw/zinc/68/05/25/345680525.db2.gz AMQUGLZVPGEWGY-IRXDYDNUSA-N 1 1 299.443 3.405 20 30 CGEDMO C[N@@H+](CCCSCC#N)Cc1ccc(F)cc1F ZINC000080626964 345680974 /nfs/dbraw/zinc/68/09/74/345680974.db2.gz RBRCPFXZUQBFFA-UHFFFAOYSA-N 1 1 270.348 3.043 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081635605 345716194 /nfs/dbraw/zinc/71/61/94/345716194.db2.gz OTFSAGNPBAERDH-CRAIPNDOSA-N 1 1 297.446 3.283 20 30 CGEDMO CC[N@@H+](C)Cc1cccc(CNc2cnccc2C#N)c1 ZINC000091457159 345814898 /nfs/dbraw/zinc/81/48/98/345814898.db2.gz HQZQLNKKTXHYEV-UHFFFAOYSA-N 1 1 280.375 3.017 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC1=CCCOC1 ZINC000093872438 345891718 /nfs/dbraw/zinc/89/17/18/345891718.db2.gz UCDWCSCQKYYWLP-MSOLQXFVSA-N 1 1 282.387 3.105 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC1=CCCOC1 ZINC000093872438 345891720 /nfs/dbraw/zinc/89/17/20/345891720.db2.gz UCDWCSCQKYYWLP-MSOLQXFVSA-N 1 1 282.387 3.105 20 30 CGEDMO N#CCC[N@@H+](CC1CC1)C[C@@H]1C[C@H]1c1ccccc1 ZINC000093091413 345869191 /nfs/dbraw/zinc/86/91/91/345869191.db2.gz LCJQSUZGAVFNKY-IRXDYDNUSA-N 1 1 254.377 3.416 20 30 CGEDMO N#CCC[N@@H+](CC1CC1)C[C@@H]1C[C@@H]1c1ccccc1 ZINC000093091414 345869257 /nfs/dbraw/zinc/86/92/57/345869257.db2.gz LCJQSUZGAVFNKY-DLBZAZTESA-N 1 1 254.377 3.416 20 30 CGEDMO CC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)Cc1ccoc1 ZINC000102409362 345916313 /nfs/dbraw/zinc/91/63/13/345916313.db2.gz REKSFEWBXOLKCU-UHFFFAOYSA-N 1 1 297.358 3.002 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)N[C@H](C)c1ccccc1Cl ZINC000121145441 346000848 /nfs/dbraw/zinc/00/08/48/346000848.db2.gz BYWLIXIOBTWCFI-CYBMUJFWSA-N 1 1 294.826 3.415 20 30 CGEDMO C[C@H](c1ccccn1)[N@@H+](C)CCOc1ccccc1C#N ZINC000177152639 232357743 /nfs/dbraw/zinc/35/77/43/232357743.db2.gz GPCRJCBVABSPMM-CQSZACIVSA-N 1 1 281.359 3.025 20 30 CGEDMO Cc1csc(C(C)(C)[NH2+]Cc2cc(C#N)cs2)n1 ZINC000177702809 346251101 /nfs/dbraw/zinc/25/11/01/346251101.db2.gz HFRMRSRKWHVQJO-UHFFFAOYSA-N 1 1 277.418 3.410 20 30 CGEDMO C=C(C)C[N@@H+]1CCc2c(Br)cccc2C1 ZINC000223959715 346301723 /nfs/dbraw/zinc/30/17/23/346301723.db2.gz RIBZASMXYZEXJL-UHFFFAOYSA-N 1 1 266.182 3.383 20 30 CGEDMO C=C(C)C[N@H+]1CCc2c(Br)cccc2C1 ZINC000223959715 346301726 /nfs/dbraw/zinc/30/17/26/346301726.db2.gz RIBZASMXYZEXJL-UHFFFAOYSA-N 1 1 266.182 3.383 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000229202269 346316387 /nfs/dbraw/zinc/31/63/87/346316387.db2.gz UVLHAGGEDCOFDE-YJBOKZPZSA-N 1 1 286.419 3.382 20 30 CGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2cccc(C#N)n2)C1 ZINC000339217869 215018895 /nfs/dbraw/zinc/01/88/95/215018895.db2.gz LNPPMNFMYPODAS-PBHICJAKSA-N 1 1 292.386 3.201 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC000397662933 346583924 /nfs/dbraw/zinc/58/39/24/346583924.db2.gz OGSGXTXYKAEIAF-NSHDSACASA-N 1 1 250.292 3.090 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000397662933 346583929 /nfs/dbraw/zinc/58/39/29/346583929.db2.gz OGSGXTXYKAEIAF-NSHDSACASA-N 1 1 250.292 3.090 20 30 CGEDMO CC[C@H]1COC(C)(C)C[N@H+]1Cc1ccc(CC#N)cc1 ZINC000403887750 346598241 /nfs/dbraw/zinc/59/82/41/346598241.db2.gz PVLUWZVMUASDDX-INIZCTEOSA-N 1 1 272.392 3.142 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1C[C@H](C)C[C@@H]1c1cccc(OC)c1 ZINC000541315019 346652206 /nfs/dbraw/zinc/65/22/06/346652206.db2.gz PKSUDFCAUOMYJT-UWWQBHOKSA-N 1 1 289.419 3.405 20 30 CGEDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)CCCCCC#N ZINC000588335996 346760458 /nfs/dbraw/zinc/76/04/58/346760458.db2.gz OYTKSDPKXUMLMU-MRXNPFEDSA-N 1 1 293.455 3.231 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000588782925 346768591 /nfs/dbraw/zinc/76/85/91/346768591.db2.gz ZTWFKONHSHVVIN-GOSISDBHSA-N 1 1 298.430 3.196 20 30 CGEDMO Cc1cc(C#N)ccc1C[NH2+][C@H](C)c1c(F)cncc1F ZINC000586786911 346735499 /nfs/dbraw/zinc/73/54/99/346735499.db2.gz VMYWSYAYWXDXQN-LLVKDONJSA-N 1 1 287.313 3.391 20 30 CGEDMO CCCC[N@H+]1CCCC[C@@H]1CNc1cc(C#N)ccn1 ZINC000587626406 346743371 /nfs/dbraw/zinc/74/33/71/346743371.db2.gz PDIDVTQZGBFMRQ-OAHLLOKOSA-N 1 1 272.396 3.020 20 30 CGEDMO C[C@H](CNCc1ccc(C(C)(C)C#N)cc1)C[NH+]1CCCC1 ZINC000594496243 347178266 /nfs/dbraw/zinc/17/82/66/347178266.db2.gz XSUVEYXYSFWCGU-MRXNPFEDSA-N 1 1 299.462 3.309 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594917060 347228643 /nfs/dbraw/zinc/22/86/43/347228643.db2.gz GKMCOIASCFFUON-QGZVFWFLSA-N 1 1 297.446 3.062 20 30 CGEDMO CC(C)[N@@H+]1CC[C@H](CNCc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594917060 347228646 /nfs/dbraw/zinc/22/86/46/347228646.db2.gz GKMCOIASCFFUON-QGZVFWFLSA-N 1 1 297.446 3.062 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](CNCc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594917060 347228650 /nfs/dbraw/zinc/22/86/50/347228650.db2.gz GKMCOIASCFFUON-QGZVFWFLSA-N 1 1 297.446 3.062 20 30 CGEDMO CC[N@@H+]1CCC[C@H](CNCc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594924653 347230594 /nfs/dbraw/zinc/23/05/94/347230594.db2.gz KHOVEHRICRNFCK-QGZVFWFLSA-N 1 1 297.446 3.063 20 30 CGEDMO CC[N@H+]1CCC[C@H](CNCc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594924653 347230595 /nfs/dbraw/zinc/23/05/95/347230595.db2.gz KHOVEHRICRNFCK-QGZVFWFLSA-N 1 1 297.446 3.063 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)CCCCC1 ZINC000594981266 347247709 /nfs/dbraw/zinc/24/77/09/347247709.db2.gz MSDWVAQJFYSISU-UHFFFAOYSA-N 1 1 284.363 3.233 20 30 CGEDMO CC[C@@H](N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(C#N)cc1 ZINC000595057321 347272298 /nfs/dbraw/zinc/27/22/98/347272298.db2.gz XBAVYUVINYHXAM-IAGOWNOFSA-N 1 1 285.435 3.472 20 30 CGEDMO C[C@H](N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc(C#N)c1 ZINC000595057236 347272420 /nfs/dbraw/zinc/27/24/20/347272420.db2.gz VOLXKKMDVWCSJD-XJKSGUPXSA-N 1 1 271.408 3.082 20 30 CGEDMO C[C@H](N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1cccc(C#N)c1 ZINC000595057236 347272424 /nfs/dbraw/zinc/27/24/24/347272424.db2.gz VOLXKKMDVWCSJD-XJKSGUPXSA-N 1 1 271.408 3.082 20 30 CGEDMO Cc1cccc(C)c1[C@@H]1CCC[N@H+]1CCOCCC#N ZINC000595599725 347323639 /nfs/dbraw/zinc/32/36/39/347323639.db2.gz BCZWDTVNHWFLHQ-INIZCTEOSA-N 1 1 272.392 3.371 20 30 CGEDMO CCc1cccc(OCC[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595610206 347326471 /nfs/dbraw/zinc/32/64/71/347326471.db2.gz TVSMASSJPSBDCP-INIZCTEOSA-N 1 1 272.392 3.253 20 30 CGEDMO CCOc1ccccc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595611695 347326677 /nfs/dbraw/zinc/32/66/77/347326677.db2.gz MXEQRCOTCZNGNN-AWEZNQCLSA-N 1 1 258.365 3.211 20 30 CGEDMO COc1cccc([C@H](C)[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595615416 347327859 /nfs/dbraw/zinc/32/78/59/347327859.db2.gz QTBNUHAAHKPVJJ-UONOGXRCSA-N 1 1 258.365 3.382 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](CCCCOc2ccccc2)C1 ZINC000595615685 347327907 /nfs/dbraw/zinc/32/79/07/347327907.db2.gz RRNNQGOJMGPTIO-MRXNPFEDSA-N 1 1 272.392 3.471 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@H](CC#N)C2)ccc1C ZINC000595623909 347329197 /nfs/dbraw/zinc/32/91/97/347329197.db2.gz YCYGMBZAYGQEKQ-CQSZACIVSA-N 1 1 258.365 3.129 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000595658477 347334076 /nfs/dbraw/zinc/33/40/76/347334076.db2.gz JVPXLPLXORJMSI-CYBMUJFWSA-N 1 1 258.340 3.485 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000595660427 347334324 /nfs/dbraw/zinc/33/43/24/347334324.db2.gz QTGNUYCZIOAWAS-OAHLLOKOSA-N 1 1 297.402 3.175 20 30 CGEDMO C[C@@]12COC[C@]1(C)C[N@H+](Cc1ccc(C#N)cc1Cl)C2 ZINC000595688888 347338207 /nfs/dbraw/zinc/33/82/07/347338207.db2.gz JYKQABSMNYODDB-IYBDPMFKSA-N 1 1 290.794 3.070 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CC[C@H](C3CCC3)C2)cc1 ZINC000595541320 347317618 /nfs/dbraw/zinc/31/76/18/347317618.db2.gz KIFXAFTXAYYBHV-KRWDZBQOSA-N 1 1 254.377 3.223 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCC[C@H](OC3CCC3)C2)cc1 ZINC000595559530 347319181 /nfs/dbraw/zinc/31/91/81/347319181.db2.gz FMESLVRPMZETNJ-SFHVURJKSA-N 1 1 284.403 3.134 20 30 CGEDMO CO[C@H](C[N@H+]1Cc2ccc(C#N)cc2C1)C1CCCCC1 ZINC000595563903 347319801 /nfs/dbraw/zinc/31/98/01/347319801.db2.gz XJZCAHLANXKLOM-GOSISDBHSA-N 1 1 284.403 3.469 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)cc1F ZINC000595832555 347362635 /nfs/dbraw/zinc/36/26/35/347362635.db2.gz XAQPYFLJPYUGST-QGZVFWFLSA-N 1 1 296.345 3.351 20 30 CGEDMO Cc1ccc(OCCC[N@@H+]2CC[C@](C)(C#N)C2)cc1C ZINC000595833371 347362846 /nfs/dbraw/zinc/36/28/46/347362846.db2.gz GYWTWCNZMGLIRD-QGZVFWFLSA-N 1 1 272.392 3.308 20 30 CGEDMO Cc1ccc(OCCC[N@H+]2CC[C@](C)(C#N)C2)cc1C ZINC000595833371 347362849 /nfs/dbraw/zinc/36/28/49/347362849.db2.gz GYWTWCNZMGLIRD-QGZVFWFLSA-N 1 1 272.392 3.308 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C(=O)OCC)c1ccccc1 ZINC000595845650 347367043 /nfs/dbraw/zinc/36/70/43/347367043.db2.gz RYZWELJNXULMQS-IXDOHACOSA-N 1 1 285.387 3.474 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1OC ZINC000595844903 347367199 /nfs/dbraw/zinc/36/71/99/347367199.db2.gz HEVYPZNITMKCSS-OKILXGFUSA-N 1 1 288.347 3.286 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C(=O)OC)c1ccccc1C ZINC000595845907 347367426 /nfs/dbraw/zinc/36/74/26/347367426.db2.gz VXGIHLRZHCEFIR-UXLLHSPISA-N 1 1 285.387 3.392 20 30 CGEDMO Cc1nc(N[C@@H]2CC[N@H+](C(C)(C)C)C2)c(Cl)cc1C#N ZINC000596336047 347422219 /nfs/dbraw/zinc/42/22/19/347422219.db2.gz LFMVSNVFMXADSE-GFCCVEGCSA-N 1 1 292.814 3.200 20 30 CGEDMO CC1(C)C[N@@H+](CCCSCC#N)[C@@H]1c1cccnc1 ZINC000596590519 347484309 /nfs/dbraw/zinc/48/43/09/347484309.db2.gz FFDVSKLYNBLWIR-CQSZACIVSA-N 1 1 275.421 3.111 20 30 CGEDMO N#Cc1ccc(N[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000596480112 347465657 /nfs/dbraw/zinc/46/56/57/347465657.db2.gz VTHYDJISDXXACA-MRXNPFEDSA-N 1 1 269.392 3.377 20 30 CGEDMO N#Cc1ccc(NC[C@@H]2CC[N@H+]2Cc2ccccc2)cc1 ZINC000596551068 347478828 /nfs/dbraw/zinc/47/88/28/347478828.db2.gz BPOKJVOJYKIHQN-SFHVURJKSA-N 1 1 277.371 3.245 20 30 CGEDMO COc1cc(C)c(C[N@H+]2CCC[C@H](CC#N)C2)cc1OC ZINC000597175121 347544478 /nfs/dbraw/zinc/54/44/78/347544478.db2.gz WWRNQPLURDQPCR-CQSZACIVSA-N 1 1 288.391 3.138 20 30 CGEDMO CCN(CC)c1ncc(C[N@@H+]2CCC[C@@H](CC#N)C2)s1 ZINC000597174574 347544563 /nfs/dbraw/zinc/54/45/63/347544563.db2.gz RGIKBJJXRHEHJU-ZDUSSCGKSA-N 1 1 292.452 3.115 20 30 CGEDMO CCN(CC)c1ncc(C[N@H+]2CCC[C@@H](CC#N)C2)s1 ZINC000597174574 347544567 /nfs/dbraw/zinc/54/45/67/347544567.db2.gz RGIKBJJXRHEHJU-ZDUSSCGKSA-N 1 1 292.452 3.115 20 30 CGEDMO CCO[C@H]1CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000596983744 347524706 /nfs/dbraw/zinc/52/47/06/347524706.db2.gz ISCUTHDQDLRGNT-KRWDZBQOSA-N 1 1 284.403 3.243 20 30 CGEDMO COCC[N@H+](Cc1ccc(C2(C#N)CC2)cc1)CC(C)C ZINC000596984217 347524975 /nfs/dbraw/zinc/52/49/75/347524975.db2.gz RDFKFPAMKMLKCQ-UHFFFAOYSA-N 1 1 286.419 3.346 20 30 CGEDMO C[N@@H+](CCOCC1CC1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597019365 347528885 /nfs/dbraw/zinc/52/88/85/347528885.db2.gz ZGSJLRSYMFNKRU-UHFFFAOYSA-N 1 1 284.403 3.100 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@@H](C2CC2)O1 ZINC000597114876 347536332 /nfs/dbraw/zinc/53/63/32/347536332.db2.gz CGJKVDIABOLHQJ-KDOFPFPSSA-N 1 1 296.414 3.241 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3CC[C@@H]3C3CC3)cc2)CC1 ZINC000597137601 347538986 /nfs/dbraw/zinc/53/89/86/347538986.db2.gz UZBDUUJAQKPMCG-MRXNPFEDSA-N 1 1 252.361 3.226 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1C ZINC000597172513 347543555 /nfs/dbraw/zinc/54/35/55/347543555.db2.gz BVDNHDCMVOPAPL-AWEZNQCLSA-N 1 1 258.365 3.129 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3CC[C@H]4C[C@H]4C3)cc2)CC1 ZINC000597222062 347556658 /nfs/dbraw/zinc/55/66/58/347556658.db2.gz BQQJUQQKKVCMAZ-GJZGRUSLSA-N 1 1 252.361 3.084 20 30 CGEDMO CC(C)[C@H]1[N@@H+](C[C@H](O)CC(C)(C)C#N)CC12CCCC2 ZINC000598707730 347681262 /nfs/dbraw/zinc/68/12/62/347681262.db2.gz ZMEGVFDMSBUWFT-HUUCEWRRSA-N 1 1 278.440 3.188 20 30 CGEDMO CC[N@H+](Cc1cccc(Cl)c1)C[C@H](O)CC(C)(C)C#N ZINC000598586394 347666553 /nfs/dbraw/zinc/66/65/53/347666553.db2.gz STKASMKVRLHEKQ-OAHLLOKOSA-N 1 1 294.826 3.463 20 30 CGEDMO CC(C)[N@H+](Cc1ccccc1F)C[C@H](O)CC(C)(C)C#N ZINC000598587364 347666961 /nfs/dbraw/zinc/66/69/61/347666961.db2.gz RGLYEOILPKISCC-OAHLLOKOSA-N 1 1 292.398 3.337 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@@H](O)CC(C)(C)C#N ZINC000598586033 347667066 /nfs/dbraw/zinc/66/70/66/347667066.db2.gz NMWNTYFVMQSPHN-HNNXBMFYSA-N 1 1 290.382 3.114 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCCC[C@H]1c1ccco1 ZINC000598593620 347668379 /nfs/dbraw/zinc/66/83/79/347668379.db2.gz VLGFKKYSQGIJPB-KBPBESRZSA-N 1 1 276.380 3.107 20 30 CGEDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598593308 347668529 /nfs/dbraw/zinc/66/85/29/347668529.db2.gz SHHFKJIZMSSFGF-OIISXLGYSA-N 1 1 286.419 3.165 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000598605101 347670546 /nfs/dbraw/zinc/67/05/46/347670546.db2.gz YUOPBQNXCBZQHE-KNJKRIMISA-N 1 1 298.430 3.465 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCCC[C@@H]1CC1CCC1 ZINC000598627546 347673098 /nfs/dbraw/zinc/67/30/98/347673098.db2.gz HMUHBPBSAJMBIG-HZPDHXFCSA-N 1 1 278.440 3.332 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCCC3(CC3)CC2)c1F ZINC000599673540 347763984 /nfs/dbraw/zinc/76/39/84/347763984.db2.gz SQOMJTHWARJBDD-UHFFFAOYSA-N 1 1 258.340 3.463 20 30 CGEDMO N#CCc1cccc2c1CC[N@@H+](CCc1ccccc1)C2 ZINC000599686158 347765990 /nfs/dbraw/zinc/76/59/90/347765990.db2.gz NIBCOYBMMJNEDA-UHFFFAOYSA-N 1 1 276.383 3.353 20 30 CGEDMO C/C=C/C[C@H]1CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000599689313 347766619 /nfs/dbraw/zinc/76/66/19/347766619.db2.gz IUZOUFMPEUGIEL-JDGPPOGSSA-N 1 1 261.394 3.193 20 30 CGEDMO C/C=C/C[C@H]1CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000599689313 347766620 /nfs/dbraw/zinc/76/66/20/347766620.db2.gz IUZOUFMPEUGIEL-JDGPPOGSSA-N 1 1 261.394 3.193 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCc3sccc3C2)cc1C#N ZINC000599255613 347729172 /nfs/dbraw/zinc/72/91/72/347729172.db2.gz BPWVCFMUWMIUGT-UHFFFAOYSA-N 1 1 268.385 3.487 20 30 CGEDMO Cc1ccc(C[N@H+]2CCc3sccc3C2)cc1C#N ZINC000599255613 347729174 /nfs/dbraw/zinc/72/91/74/347729174.db2.gz BPWVCFMUWMIUGT-UHFFFAOYSA-N 1 1 268.385 3.487 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C)CC1(O)CCC(c2ccccc2)CC1 ZINC000599279901 347731916 /nfs/dbraw/zinc/73/19/16/347731916.db2.gz VSIAMKHBHGYFNU-FAEJEUNOSA-N 1 1 286.419 3.167 20 30 CGEDMO Cc1ccc(C[NH2+]C(C)(C)c2nccs2)cc1C#N ZINC000599328152 347735757 /nfs/dbraw/zinc/73/57/57/347735757.db2.gz MZPVZNNHWJLLSV-UHFFFAOYSA-N 1 1 271.389 3.348 20 30 CGEDMO C[C@@H](C#N)C[N@H+](C)CCc1cccc(C(F)(F)F)c1 ZINC000600111277 347780127 /nfs/dbraw/zinc/78/01/27/347780127.db2.gz ATNHFVORMJVDPL-NSHDSACASA-N 1 1 270.298 3.339 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C)CCc1cccc(C(F)(F)F)c1 ZINC000600111277 347780129 /nfs/dbraw/zinc/78/01/29/347780129.db2.gz ATNHFVORMJVDPL-NSHDSACASA-N 1 1 270.298 3.339 20 30 CGEDMO Cc1ccc(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cc1C#N ZINC000599477395 347747758 /nfs/dbraw/zinc/74/77/58/347747758.db2.gz GCEKSUSABKAXKA-KDURUIRLSA-N 1 1 296.414 3.259 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCCC(F)(F)CC2)cc1 ZINC000599550783 347753473 /nfs/dbraw/zinc/75/34/73/347753473.db2.gz BBPHVLNRRCEJGK-UHFFFAOYSA-N 1 1 250.292 3.179 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c1F ZINC000599552427 347753879 /nfs/dbraw/zinc/75/38/79/347753879.db2.gz CEMHSWDHOCYRQC-KGLIPLIRSA-N 1 1 276.380 3.167 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1ccnc(-c2ccccc2)c1 ZINC000600616755 347814822 /nfs/dbraw/zinc/81/48/22/347814822.db2.gz CIOAFWNTEWMFPD-INIZCTEOSA-N 1 1 290.370 3.282 20 30 CGEDMO COc1cccc2c1C[N@@H+](CC(C)(C)CCC#N)C2 ZINC000600207846 347793146 /nfs/dbraw/zinc/79/31/46/347793146.db2.gz OMFYLLWPWAOSNT-UHFFFAOYSA-N 1 1 258.365 3.341 20 30 CGEDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602430748 347956255 /nfs/dbraw/zinc/95/62/55/347956255.db2.gz PQVIKEGNLZCGNM-GFCCVEGCSA-N 1 1 269.323 3.285 20 30 CGEDMO COc1cc(C)c(C[N@@H+](C)C[C@H](C)CCC#N)cc1OC ZINC000602433059 347956972 /nfs/dbraw/zinc/95/69/72/347956972.db2.gz OJQAJADOVXGGKE-CYBMUJFWSA-N 1 1 290.407 3.384 20 30 CGEDMO Cc1ccc([C@@H](C)[N@@H+](C)Cc2cccc(C#N)n2)cc1 ZINC000602439051 347958227 /nfs/dbraw/zinc/95/82/27/347958227.db2.gz LKOIVJHSZXMNMX-CQSZACIVSA-N 1 1 265.360 3.455 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000602457738 347960838 /nfs/dbraw/zinc/96/08/38/347960838.db2.gz CRFZTSQPZQGYJG-UKRRQHHQSA-N 1 1 286.375 3.492 20 30 CGEDMO COc1ccccc1C[C@H](C)[N@@H+](C)C[C@H](C)CCC#N ZINC000602464261 347962271 /nfs/dbraw/zinc/96/22/71/347962271.db2.gz LKVQAWDXZGVKRM-CABCVRRESA-N 1 1 274.408 3.498 20 30 CGEDMO COc1ccc([C@H]2CC[N@@H+](C[C@H](C)CCC#N)C2)cc1 ZINC000602465503 347963188 /nfs/dbraw/zinc/96/31/88/347963188.db2.gz RDSYARPOUZECLR-ZBFHGGJFSA-N 1 1 272.392 3.424 20 30 CGEDMO C[C@@]1(c2ccccc2)CC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602477039 347964739 /nfs/dbraw/zinc/96/47/39/347964739.db2.gz OZBYGGHNSQVZHP-GOSISDBHSA-N 1 1 277.371 3.117 20 30 CGEDMO CCO[C@@H]1C[C@H]([N@@H+](C)C[C@H](C)CCC#N)C1(C)C ZINC000602474360 347965251 /nfs/dbraw/zinc/96/52/51/347965251.db2.gz UWTDIILJPQDOCX-HZSPNIEDSA-N 1 1 252.402 3.062 20 30 CGEDMO Cc1cc([C@@H]2C[N@H+](C[C@@H](C)CCC#N)CCO2)ccc1F ZINC000602477787 347965277 /nfs/dbraw/zinc/96/52/77/347965277.db2.gz UEWZOLGQOROECD-GUYCJALGSA-N 1 1 290.382 3.447 20 30 CGEDMO Cc1cc([C@@H]2C[N@@H+](C[C@@H](C)CCC#N)CCO2)ccc1F ZINC000602477787 347965279 /nfs/dbraw/zinc/96/52/79/347965279.db2.gz UEWZOLGQOROECD-GUYCJALGSA-N 1 1 290.382 3.447 20 30 CGEDMO CC(C)[N@H+](CCc1nccs1)C[C@H](C)CCC#N ZINC000602479487 347966005 /nfs/dbraw/zinc/96/60/05/347966005.db2.gz MMCMIDWLWUQYMR-CYBMUJFWSA-N 1 1 265.426 3.336 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCCC[C@H]1c1cccn1C ZINC000602485282 347967762 /nfs/dbraw/zinc/96/77/62/347967762.db2.gz RAYXYZSDURPZPU-ZBFHGGJFSA-N 1 1 259.397 3.492 20 30 CGEDMO N#Cc1cccc(C[N@@H+](CCC(F)(F)F)CC2CC2)n1 ZINC000602487201 347967785 /nfs/dbraw/zinc/96/77/85/347967785.db2.gz WJCXNKQRBBVAQN-UHFFFAOYSA-N 1 1 283.297 3.118 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000602606646 347991862 /nfs/dbraw/zinc/99/18/62/347991862.db2.gz VZFDZQUJZUBTRX-HNNXBMFYSA-N 1 1 294.402 3.170 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000602613801 347994507 /nfs/dbraw/zinc/99/45/07/347994507.db2.gz QDASERNQJOYSQW-GDBMZVCRSA-N 1 1 264.413 3.207 20 30 CGEDMO CCC[N@@H+](CCc1cccs1)Cc1cccc(C#N)n1 ZINC000602618474 347995292 /nfs/dbraw/zinc/99/52/92/347995292.db2.gz UGBBIYFSNAZTAH-UHFFFAOYSA-N 1 1 285.416 3.469 20 30 CGEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1C[C@@H](C)CCC#N ZINC000602663664 348003618 /nfs/dbraw/zinc/00/36/18/348003618.db2.gz DNFLFGXROAEURV-FZMZJTMJSA-N 1 1 260.385 3.103 20 30 CGEDMO N#CC1CCC([NH2+]C2(c3noc(C(F)F)n3)CCC2)CC1 ZINC000602670502 348005002 /nfs/dbraw/zinc/00/50/02/348005002.db2.gz DWSLXHFDPVLREI-UHFFFAOYSA-N 1 1 296.321 3.058 20 30 CGEDMO CCC1(c2ccccc2)C[NH+](Cc2cccc(C#N)n2)C1 ZINC000602687409 348008882 /nfs/dbraw/zinc/00/88/82/348008882.db2.gz MEKGLCYEYZBBCS-UHFFFAOYSA-N 1 1 277.371 3.117 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000602702043 348012779 /nfs/dbraw/zinc/01/27/79/348012779.db2.gz NAGRDCQJQKZGCN-KFWWJZLASA-N 1 1 294.439 3.226 20 30 CGEDMO C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000602787495 348029203 /nfs/dbraw/zinc/02/92/03/348029203.db2.gz TYDHDFQXRDERPZ-HPBDAGMYSA-N 1 1 284.403 3.183 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000602708312 348014193 /nfs/dbraw/zinc/01/41/93/348014193.db2.gz ZLLQYJRSSNYYNS-SJORKVTESA-N 1 1 283.419 3.139 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CC[C@H](O)C[C@H]2c2ccccc2)c1 ZINC000602730292 348020068 /nfs/dbraw/zinc/02/00/68/348020068.db2.gz FBRTVQPJPBMTRI-RDJZCZTQSA-N 1 1 298.411 3.318 20 30 CGEDMO CC[C@H](C)[C@@H](C[N@H+]1CCc2c(CC#N)cccc2C1)OC ZINC000602731900 348020102 /nfs/dbraw/zinc/02/01/02/348020102.db2.gz YUUVTBLXNORAJT-KBXCAEBGSA-N 1 1 286.419 3.172 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC[C@H](O)C[C@@H]1c1ccccc1 ZINC000602730325 348020358 /nfs/dbraw/zinc/02/03/58/348020358.db2.gz FLFVCIYUPRTZDZ-HYVNUMGLSA-N 1 1 272.392 3.124 20 30 CGEDMO COCC[N@@H+](CC1(CC#N)CC1)[C@H](C)c1ccccc1 ZINC000602767049 348025751 /nfs/dbraw/zinc/02/57/51/348025751.db2.gz UZFDVLBOUYZQJB-OAHLLOKOSA-N 1 1 272.392 3.390 20 30 CGEDMO N#CCC1(C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)CC1 ZINC000602772413 348026068 /nfs/dbraw/zinc/02/60/68/348026068.db2.gz IRWVYYXULVYJKZ-HNNXBMFYSA-N 1 1 298.386 3.289 20 30 CGEDMO CCC[N@@H+](CC1(CC#N)CC1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000602777661 348026916 /nfs/dbraw/zinc/02/69/16/348026916.db2.gz IFFWPZIWVMAHJG-KFWWJZLASA-N 1 1 276.424 3.206 20 30 CGEDMO C=CCCCCC[N@@H+](C)[C@@H](C)c1nc(C(=O)OC)co1 ZINC000602780757 348027180 /nfs/dbraw/zinc/02/71/80/348027180.db2.gz RPHUZFKTMNDJHJ-LBPRGKRZSA-N 1 1 280.368 3.200 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H](C)c1nc(C(=O)OC)co1 ZINC000602780757 348027182 /nfs/dbraw/zinc/02/71/82/348027182.db2.gz RPHUZFKTMNDJHJ-LBPRGKRZSA-N 1 1 280.368 3.200 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000602810256 348032148 /nfs/dbraw/zinc/03/21/48/348032148.db2.gz GHOAIROFJYTXLF-HOTGVXAUSA-N 1 1 296.418 3.441 20 30 CGEDMO N#CC1(C[N@H+]2CCC[C@H](Cn3cnc4ccccc43)C2)CC1 ZINC000602813186 348033469 /nfs/dbraw/zinc/03/34/69/348033469.db2.gz TVIMKLRVBAANHV-HNNXBMFYSA-N 1 1 294.402 3.052 20 30 CGEDMO N#CCC1(C[N@H+]2CCC[C@]3(C2)OCc2ccccc23)CC1 ZINC000602819890 348034065 /nfs/dbraw/zinc/03/40/65/348034065.db2.gz RVPOMKSRZZJUHM-GOSISDBHSA-N 1 1 282.387 3.202 20 30 CGEDMO C[C@@H]1CCC[N@H+](CC2(CC#N)CC2)[C@H]1C(=O)OC(C)(C)C ZINC000602846566 348036314 /nfs/dbraw/zinc/03/63/14/348036314.db2.gz PDUVBYZNCHESPY-ZIAGYGMSSA-N 1 1 292.423 3.122 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CC2(CC#N)CC2)[C@H]1C(=O)OC(C)(C)C ZINC000602846566 348036316 /nfs/dbraw/zinc/03/63/16/348036316.db2.gz PDUVBYZNCHESPY-ZIAGYGMSSA-N 1 1 292.423 3.122 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH+]1CCC2(CCSCC2)CC1 ZINC000602946129 348046224 /nfs/dbraw/zinc/04/62/24/348046224.db2.gz JSVZHFJIPRWWLE-AWEZNQCLSA-N 1 1 277.437 3.039 20 30 CGEDMO C[N@H+](Cc1cccc(OC(F)F)c1)[C@H]1CCC[C@H]1C#N ZINC000602975472 348048379 /nfs/dbraw/zinc/04/83/79/348048379.db2.gz BHQVRXZAOSVHJG-JSGCOSHPSA-N 1 1 280.318 3.412 20 30 CGEDMO C[N@@H+](Cc1cccc(OC(F)F)c1)[C@H]1CCC[C@H]1C#N ZINC000602975472 348048385 /nfs/dbraw/zinc/04/83/85/348048385.db2.gz BHQVRXZAOSVHJG-JSGCOSHPSA-N 1 1 280.318 3.412 20 30 CGEDMO C[N@@H+](CCCOc1ccccc1)[C@@H]1CCC[C@@H]1C#N ZINC000602975563 348048474 /nfs/dbraw/zinc/04/84/74/348048474.db2.gz CYFLEVWNAUDSSZ-GDBMZVCRSA-N 1 1 258.365 3.080 20 30 CGEDMO C[N@H+](Cc1ccc(OC(F)F)cc1)[C@@H]1CCC[C@H]1C#N ZINC000602977208 348049303 /nfs/dbraw/zinc/04/93/03/348049303.db2.gz ZCFMSACTPGHXCI-GXTWGEPZSA-N 1 1 280.318 3.412 20 30 CGEDMO C[N@@H+](Cc1ccc(OC(F)F)cc1)[C@@H]1CCC[C@H]1C#N ZINC000602977208 348049304 /nfs/dbraw/zinc/04/93/04/348049304.db2.gz ZCFMSACTPGHXCI-GXTWGEPZSA-N 1 1 280.318 3.412 20 30 CGEDMO C[N@@H+](CCCc1cccc(F)c1)[C@H]1CCC[C@H]1C#N ZINC000602980419 348050523 /nfs/dbraw/zinc/05/05/23/348050523.db2.gz PYEKCCVSWVDZOS-HOCLYGCPSA-N 1 1 260.356 3.382 20 30 CGEDMO COc1ncc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)c2ccccc21 ZINC000602981744 348051124 /nfs/dbraw/zinc/05/11/24/348051124.db2.gz IZSKJYTXFUAQBI-SUMWQHHRSA-N 1 1 295.386 3.367 20 30 CGEDMO COc1ncc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)c2ccccc21 ZINC000602981744 348051127 /nfs/dbraw/zinc/05/11/27/348051127.db2.gz IZSKJYTXFUAQBI-SUMWQHHRSA-N 1 1 295.386 3.367 20 30 CGEDMO C[N@H+](C[C@@H]1CCC2(CCCC2)O1)[C@H]1CCC[C@@H]1C#N ZINC000602980837 348051435 /nfs/dbraw/zinc/05/14/35/348051435.db2.gz WHLLMHKDGCCNGO-ILXRZTDVSA-N 1 1 262.397 3.102 20 30 CGEDMO C[N@@H+](C[C@@H]1CCC2(CCCC2)O1)[C@H]1CCC[C@@H]1C#N ZINC000602980837 348051439 /nfs/dbraw/zinc/05/14/39/348051439.db2.gz WHLLMHKDGCCNGO-ILXRZTDVSA-N 1 1 262.397 3.102 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CN(CC)c2ccccc2O1 ZINC000605149694 348148490 /nfs/dbraw/zinc/14/84/90/348148490.db2.gz TUMHAGPQBDDLFV-OAHLLOKOSA-N 1 1 274.408 3.172 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)N1c2ccccc2CC[C@H]1C ZINC000605740672 348167038 /nfs/dbraw/zinc/16/70/38/348167038.db2.gz IRKNLJAHBLXYKW-OAHLLOKOSA-N 1 1 286.419 3.252 20 30 CGEDMO CC#CC[N@H+](CC)Cc1cccc(Br)c1 ZINC000607728081 348258404 /nfs/dbraw/zinc/25/84/04/348258404.db2.gz ZKICJCKJWLCOAV-UHFFFAOYSA-N 1 1 266.182 3.294 20 30 CGEDMO CC#CC[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)no1 ZINC000607728922 348258949 /nfs/dbraw/zinc/25/89/49/348258949.db2.gz RGTFZNPXJWHKHD-UHFFFAOYSA-N 1 1 286.350 3.368 20 30 CGEDMO CC(C)[N@@H+](Cc1ccnc(C#N)c1)C1CCCCC1 ZINC000610993358 348415070 /nfs/dbraw/zinc/41/50/70/348415070.db2.gz LOLKAZJQTOOMPP-UHFFFAOYSA-N 1 1 257.381 3.496 20 30 CGEDMO Cc1ccccc1[C@H]1CC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000610992142 348415089 /nfs/dbraw/zinc/41/50/89/348415089.db2.gz DFAIURGMGQRWIM-INIZCTEOSA-N 1 1 277.371 3.251 20 30 CGEDMO N#Cc1cc(C[N@@H+](Cc2cccc(O)c2)CC2CC2)ccn1 ZINC000610992913 348415356 /nfs/dbraw/zinc/41/53/56/348415356.db2.gz RREHOJYKUDDBEL-UHFFFAOYSA-N 1 1 293.370 3.071 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(C#N)cc2)cn1 ZINC000610662032 348394212 /nfs/dbraw/zinc/39/42/12/348394212.db2.gz XJJFGKVXOZGAHC-ZDUSSCGKSA-N 1 1 281.359 3.155 20 30 CGEDMO N#Cc1ccccc1C[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000610701501 348396958 /nfs/dbraw/zinc/39/69/58/348396958.db2.gz SOKPKAUXTUWZEL-UHFFFAOYSA-N 1 1 288.354 3.034 20 30 CGEDMO CCc1cc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)on1 ZINC000611393203 348445841 /nfs/dbraw/zinc/44/58/41/348445841.db2.gz OMWJWFPEULVVCL-KRWDZBQOSA-N 1 1 281.359 3.276 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccnc(C#N)c1)c1cccc(F)c1F ZINC000611406972 348447582 /nfs/dbraw/zinc/44/75/82/348447582.db2.gz OWNUKADDAVLMGN-SNVBAGLBSA-N 1 1 273.286 3.082 20 30 CGEDMO N#CCC1CC[NH+](Cc2ncccc2C(F)(F)F)CC1 ZINC000611622910 348464059 /nfs/dbraw/zinc/46/40/59/348464059.db2.gz XKEXJRJZTNBRQI-UHFFFAOYSA-N 1 1 283.297 3.226 20 30 CGEDMO Cc1c(Cl)cnc(N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1C#N ZINC000612085566 348492610 /nfs/dbraw/zinc/49/26/10/348492610.db2.gz XJQAESHFOIWPHK-YGRLFVJLSA-N 1 1 292.814 3.056 20 30 CGEDMO Cc1ccncc1[C@H](C)[NH2+]Cc1cccc(C#N)c1F ZINC000611939161 348481680 /nfs/dbraw/zinc/48/16/80/348481680.db2.gz ONJKJVRBJZRDBM-LBPRGKRZSA-N 1 1 269.323 3.252 20 30 CGEDMO COCC[N@H+](CCC#N)[C@H](C)CCc1cccc(F)c1 ZINC000611956788 348482614 /nfs/dbraw/zinc/48/26/14/348482614.db2.gz JHIPDKZIHLBZPK-CQSZACIVSA-N 1 1 278.371 3.009 20 30 CGEDMO COCC[N@@H+](CCC#N)[C@H](C)CCc1cccc(F)c1 ZINC000611956788 348482618 /nfs/dbraw/zinc/48/26/18/348482618.db2.gz JHIPDKZIHLBZPK-CQSZACIVSA-N 1 1 278.371 3.009 20 30 CGEDMO Cc1ccc(C)c(OCC[N@@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000612167346 348499215 /nfs/dbraw/zinc/49/92/15/348499215.db2.gz WZEZYKZTUIMRPC-KRWDZBQOSA-N 1 1 272.392 3.308 20 30 CGEDMO Cc1ccc(C)c(OCC[N@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000612167346 348499217 /nfs/dbraw/zinc/49/92/17/348499217.db2.gz WZEZYKZTUIMRPC-KRWDZBQOSA-N 1 1 272.392 3.308 20 30 CGEDMO CCCC[N@@H+](CCO)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614164627 348653559 /nfs/dbraw/zinc/65/35/59/348653559.db2.gz KFZYHOABEIOYLY-UHFFFAOYSA-N 1 1 274.408 3.082 20 30 CGEDMO CC[C@H]1COCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614167538 348654097 /nfs/dbraw/zinc/65/40/97/348654097.db2.gz SNAISLHIQGCMGR-INIZCTEOSA-N 1 1 272.392 3.099 20 30 CGEDMO CCOC[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614169013 348654142 /nfs/dbraw/zinc/65/41/42/348654142.db2.gz NLBHNZJJIZIIRL-INIZCTEOSA-N 1 1 286.419 3.346 20 30 CGEDMO C[C@@H]1C[C@H]([NH+](C)Cc2ccc(C(C)(C)C#N)cc2)CC[N@@H+]1C ZINC000614169786 348654360 /nfs/dbraw/zinc/65/43/60/348654360.db2.gz VLVGHKVWSJOHPK-CRAIPNDOSA-N 1 1 299.462 3.402 20 30 CGEDMO C[C@@H]1C[C@H]([NH+](C)Cc2ccc(C(C)(C)C#N)cc2)CC[N@H+]1C ZINC000614169786 348654362 /nfs/dbraw/zinc/65/43/62/348654362.db2.gz VLVGHKVWSJOHPK-CRAIPNDOSA-N 1 1 299.462 3.402 20 30 CGEDMO C[C@@H]1C[C@H](N(C)Cc2ccc(C(C)(C)C#N)cc2)CC[N@@H+]1C ZINC000614169786 348654367 /nfs/dbraw/zinc/65/43/67/348654367.db2.gz VLVGHKVWSJOHPK-CRAIPNDOSA-N 1 1 299.462 3.402 20 30 CGEDMO C[C@@H]1C[C@H](N(C)Cc2ccc(C(C)(C)C#N)cc2)CC[N@H+]1C ZINC000614169786 348654368 /nfs/dbraw/zinc/65/43/68/348654368.db2.gz VLVGHKVWSJOHPK-CRAIPNDOSA-N 1 1 299.462 3.402 20 30 CGEDMO COC[C@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614166960 348654373 /nfs/dbraw/zinc/65/43/73/348654373.db2.gz QDFZEFMPYWKMNT-INIZCTEOSA-N 1 1 286.419 3.346 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000614397963 348673150 /nfs/dbraw/zinc/67/31/50/348673150.db2.gz AOJRGMXVSZIJRE-INIZCTEOSA-N 1 1 266.344 3.449 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000614578497 348683976 /nfs/dbraw/zinc/68/39/76/348683976.db2.gz FOZRJYAEPPFETB-GOSISDBHSA-N 1 1 284.403 3.258 20 30 CGEDMO CCn1ccc(C[N@H+](C)Cc2cn3ccccc3c2C#N)c1 ZINC000616785228 348877285 /nfs/dbraw/zinc/87/72/85/348877285.db2.gz DPLOUPRBLLATOW-UHFFFAOYSA-N 1 1 292.386 3.264 20 30 CGEDMO CCn1ccc(C[N@@H+](C)Cc2cn3ccccc3c2C#N)c1 ZINC000616785228 348877287 /nfs/dbraw/zinc/87/72/87/348877287.db2.gz DPLOUPRBLLATOW-UHFFFAOYSA-N 1 1 292.386 3.264 20 30 CGEDMO C=CC[C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000617781272 349009879 /nfs/dbraw/zinc/00/98/79/349009879.db2.gz JCXWQUHCAADKAO-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000618655810 349135773 /nfs/dbraw/zinc/13/57/73/349135773.db2.gz KTASOKRDJPDLPB-CQSZACIVSA-N 1 1 278.440 3.112 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+][C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000619551253 349258512 /nfs/dbraw/zinc/25/85/12/349258512.db2.gz FOFJHXTUASQYDL-JTNHKYCSSA-N 1 1 291.757 3.368 20 30 CGEDMO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)nn1C ZINC000619723842 349278744 /nfs/dbraw/zinc/27/87/44/349278744.db2.gz OJEPCJZZKHXIQJ-QWHCGFSZSA-N 1 1 268.364 3.012 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(C)c(F)c1)[C@H](C)COC ZINC000625530838 350181618 /nfs/dbraw/zinc/18/16/18/350181618.db2.gz UEYJMTXTJPMYOP-CYBMUJFWSA-N 1 1 251.345 3.157 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](C[C@H](Cc2ccccc2)OC)C1 ZINC000625703871 350200510 /nfs/dbraw/zinc/20/05/10/350200510.db2.gz UUOWZHHJFKMDHA-SJORKVTESA-N 1 1 259.393 3.142 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2nc3cc(F)ccc3o2)C1 ZINC000625700221 350198455 /nfs/dbraw/zinc/19/84/55/350198455.db2.gz ICVCJCXNAYXCSQ-NSHDSACASA-N 1 1 260.312 3.365 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CC(=O)c2c[nH]c3ccc(F)cc32)C1 ZINC000625701330 350198832 /nfs/dbraw/zinc/19/88/32/350198832.db2.gz IWGMPHGYAKKHNW-GFCCVEGCSA-N 1 1 286.350 3.388 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2nnc(-c3ccccc3)o2)C1 ZINC000625702945 350199381 /nfs/dbraw/zinc/19/93/81/350199381.db2.gz KBKFRGHQMMONMO-ZDUSSCGKSA-N 1 1 269.348 3.135 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000625703057 350199966 /nfs/dbraw/zinc/19/99/66/350199966.db2.gz KQAASUJLXPNHKG-HNNXBMFYSA-N 1 1 267.376 3.270 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000625703189 350200018 /nfs/dbraw/zinc/20/00/18/350200018.db2.gz MAABUWPBUYTCIO-LBPRGKRZSA-N 1 1 275.783 3.386 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CCCN(CC)CC(F)(F)F)C1 ZINC000625702777 350200162 /nfs/dbraw/zinc/20/01/62/350200162.db2.gz OWGHFIIZXDOPBD-ZDUSSCGKSA-N 1 1 278.362 3.159 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](CC(=O)N[C@@H](c2ccccc2)C2CC2)C1 ZINC000625705667 350200682 /nfs/dbraw/zinc/20/06/82/350200682.db2.gz WZIPDBIHVWPGGO-KXBFYZLASA-N 1 1 298.430 3.152 20 30 CGEDMO C=C(C)[C@@H](CO)[N@@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000626008562 350246353 /nfs/dbraw/zinc/24/63/53/350246353.db2.gz ZDBZXIITJSRNHC-CQSZACIVSA-N 1 1 285.309 3.001 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000626008562 350246356 /nfs/dbraw/zinc/24/63/56/350246356.db2.gz ZDBZXIITJSRNHC-CQSZACIVSA-N 1 1 285.309 3.001 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(OCC)c(OC)c2)C1 ZINC000628405396 350528157 /nfs/dbraw/zinc/52/81/57/350528157.db2.gz KXDTXVODAOOHFA-AWEZNQCLSA-N 1 1 275.392 3.492 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2OC)C1 ZINC000628405336 350528301 /nfs/dbraw/zinc/52/83/01/350528301.db2.gz JKHSWIJWDGFHCI-CYBMUJFWSA-N 1 1 291.391 3.110 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cccc(OCCOC)c2)C1 ZINC000628405815 350529524 /nfs/dbraw/zinc/52/95/24/350529524.db2.gz VNEUOGWTOCYVSN-HNNXBMFYSA-N 1 1 275.392 3.110 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(C)o2)C1 ZINC000628406939 350530476 /nfs/dbraw/zinc/53/04/76/350530476.db2.gz VJEFHYJLUZXDGR-CQSZACIVSA-N 1 1 285.391 3.387 20 30 CGEDMO C=CC[N@@H+](Cc1cn2cc(Cl)ccc2n1)C1CC1 ZINC000271406687 191120011 /nfs/dbraw/zinc/12/00/11/191120011.db2.gz MPOPEDDKDJCHOM-UHFFFAOYSA-N 1 1 261.756 3.138 20 30 CGEDMO C=CC[N@H+](Cc1cn2cc(Cl)ccc2n1)C1CC1 ZINC000271406687 191120012 /nfs/dbraw/zinc/12/00/12/191120012.db2.gz MPOPEDDKDJCHOM-UHFFFAOYSA-N 1 1 261.756 3.138 20 30 CGEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292110660 198166625 /nfs/dbraw/zinc/16/66/25/198166625.db2.gz HCGUSOKCHABJLO-WMLDXEAASA-N 1 1 293.370 3.168 20 30 CGEDMO COC(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)o1 ZINC000271672126 191268914 /nfs/dbraw/zinc/26/89/14/191268914.db2.gz NNUDVONFRDGDCS-NEPJUHHUSA-N 1 1 298.342 3.350 20 30 CGEDMO CCOC[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000154270106 188132309 /nfs/dbraw/zinc/13/23/09/188132309.db2.gz ZHIFGBLFLNPXID-HNNXBMFYSA-N 1 1 277.795 3.050 20 30 CGEDMO N#C[C@H]1CC[C@H]([N@@H+]2CCc3cccc(Cl)c3C2)C1 ZINC000335586526 283067173 /nfs/dbraw/zinc/06/71/73/283067173.db2.gz GRQGEXNFROBYKP-AAEUAGOBSA-N 1 1 260.768 3.390 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cscn1 ZINC000336360441 213211488 /nfs/dbraw/zinc/21/14/88/213211488.db2.gz SRKWCLHRRKJNEL-HNNXBMFYSA-N 1 1 269.373 3.182 20 30 CGEDMO N#Cc1ccc(C[NH2+]C2(c3cccc(F)c3)CC2)o1 ZINC000174420905 188898089 /nfs/dbraw/zinc/89/80/89/188898089.db2.gz JERLARQAXRDJRD-UHFFFAOYSA-N 1 1 256.280 3.069 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)cc1F ZINC000192041982 283141156 /nfs/dbraw/zinc/14/11/56/283141156.db2.gz QCVPMGNPARYFOU-CJNGLKHVSA-N 1 1 258.340 3.462 20 30 CGEDMO C[C@@H]1CC[C@H](C)C[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000088704468 138342859 /nfs/dbraw/zinc/34/28/59/138342859.db2.gz MOYJRLCBTCUBLF-UONOGXRCSA-N 1 1 285.391 3.007 20 30 CGEDMO CC[C@@H]1CC[C@@H](C)[N@H+]1CCOc1cccc(C#N)c1 ZINC000124584978 138376541 /nfs/dbraw/zinc/37/65/41/138376541.db2.gz OAGSARKCTAQQNB-UKRRQHHQSA-N 1 1 258.365 3.200 20 30 CGEDMO Cc1cc(C(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c(C)[nH]1 ZINC000425541273 236258455 /nfs/dbraw/zinc/25/84/55/236258455.db2.gz WJVXQCGCPWKNDG-AWEZNQCLSA-N 1 1 295.386 3.379 20 30 CGEDMO Cc1cc(C(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c(C)[nH]1 ZINC000425541273 236258456 /nfs/dbraw/zinc/25/84/56/236258456.db2.gz WJVXQCGCPWKNDG-AWEZNQCLSA-N 1 1 295.386 3.379 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCc1cncs1 ZINC000425537292 236258468 /nfs/dbraw/zinc/25/84/68/236258468.db2.gz QKZOUTWRZKQRRG-GFCCVEGCSA-N 1 1 271.389 3.250 20 30 CGEDMO CO[C@H](C[N@@H+](Cc1ccc(C#N)cc1)C(C)C)C1CC1 ZINC000425402679 236244532 /nfs/dbraw/zinc/24/45/32/236244532.db2.gz RXMOTYLYFKDLHK-QGZVFWFLSA-N 1 1 272.392 3.194 20 30 CGEDMO COCCC[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177048279 189024382 /nfs/dbraw/zinc/02/43/82/189024382.db2.gz NMNNLSGITXGLPK-UHFFFAOYSA-N 1 1 285.309 3.025 20 30 CGEDMO CCOC[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000177366928 189046310 /nfs/dbraw/zinc/04/63/10/189046310.db2.gz CLEWRCLXUJWFCD-OAHLLOKOSA-N 1 1 277.795 3.050 20 30 CGEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2sc(C)nc2C)CC1 ZINC000177915878 189078845 /nfs/dbraw/zinc/07/88/45/189078845.db2.gz FAAIJMRWSINGFV-CYBMUJFWSA-N 1 1 293.480 3.451 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000178080404 189089513 /nfs/dbraw/zinc/08/95/13/189089513.db2.gz ACAMQRFIVGNFSB-MRXNPFEDSA-N 1 1 292.379 3.132 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000299385500 200706036 /nfs/dbraw/zinc/70/60/36/200706036.db2.gz PJZFPJODPGTBFX-BBRMVZONSA-N 1 1 258.365 3.120 20 30 CGEDMO CC(=O)c1ccc(C#N)cc1NCC[N@@H+]1CCCC[C@H]1C ZINC000302088790 201337864 /nfs/dbraw/zinc/33/78/64/201337864.db2.gz FZHLGUVROYWHMD-CYBMUJFWSA-N 1 1 285.391 3.047 20 30 CGEDMO CC1CC[NH+](C[C@H]2CCCN(CCC(C)(C)C#N)C2)CC1 ZINC000119660720 370696436 /nfs/dbraw/zinc/69/64/36/370696436.db2.gz XLWFIJQUAKBMAJ-KRWDZBQOSA-N 1 1 291.483 3.370 20 30 CGEDMO CC[N@H+](CCC(C)(C)C#N)[C@H]1CCN(c2ccccc2)C1=O ZINC000119930564 370723207 /nfs/dbraw/zinc/72/32/07/370723207.db2.gz ZLPJHPHFVCGHKT-INIZCTEOSA-N 1 1 299.418 3.054 20 30 CGEDMO CC[N@@H+](CCC(C)(C)C#N)[C@H]1CCN(c2ccccc2)C1=O ZINC000119930564 370723211 /nfs/dbraw/zinc/72/32/11/370723211.db2.gz ZLPJHPHFVCGHKT-INIZCTEOSA-N 1 1 299.418 3.054 20 30 CGEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](CCC3=CCCCC3)C2)nc1 ZINC000451053965 240205168 /nfs/dbraw/zinc/20/51/68/240205168.db2.gz GQWKOJGPCNKXMB-KRWDZBQOSA-N 1 1 297.402 3.297 20 30 CGEDMO CC(C)OCCC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000275686079 193105870 /nfs/dbraw/zinc/10/58/70/193105870.db2.gz OUPSXVVVNKGPOB-AWEZNQCLSA-N 1 1 260.381 3.366 20 30 CGEDMO C=C(C)C[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000275730361 193114649 /nfs/dbraw/zinc/11/46/49/193114649.db2.gz OVQAXUQLAODGBN-ZETCQYMHSA-N 1 1 250.289 3.389 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000121217725 370841532 /nfs/dbraw/zinc/84/15/32/370841532.db2.gz HBZZZOLCPIVSDX-STQMWFEESA-N 1 1 286.375 3.116 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)C(=O)N[C@@H](CCC)c1ccccc1 ZINC000121457865 370862574 /nfs/dbraw/zinc/86/25/74/370862574.db2.gz VVMVRWBSVRLPCD-ZBFHGGJFSA-N 1 1 274.408 3.150 20 30 CGEDMO C=CC[N@@H+](C)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000121611630 370878038 /nfs/dbraw/zinc/87/80/38/370878038.db2.gz VOQOJJHPZASGPE-AWEZNQCLSA-N 1 1 260.381 3.057 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000121611630 370878043 /nfs/dbraw/zinc/87/80/43/370878043.db2.gz VOQOJJHPZASGPE-AWEZNQCLSA-N 1 1 260.381 3.057 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)CCO1 ZINC000014855909 368685285 /nfs/dbraw/zinc/68/52/85/368685285.db2.gz MMKCUVFOXKUOKT-OAHLLOKOSA-N 1 1 292.382 3.446 20 30 CGEDMO C[C@H]1CCC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000034673941 368976897 /nfs/dbraw/zinc/97/68/97/368976897.db2.gz URDXSNNICZUNAV-AWEZNQCLSA-N 1 1 258.365 3.059 20 30 CGEDMO C[C@H]([NH2+]Cc1ccccc1C#N)c1ccc(C#N)cc1 ZINC000037749585 369104533 /nfs/dbraw/zinc/10/45/33/369104533.db2.gz CKLLIGNRBZDJKT-ZDUSSCGKSA-N 1 1 261.328 3.281 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)C[C@@H]2CCCCO2)cc1 ZINC000042364583 369217283 /nfs/dbraw/zinc/21/72/83/369217283.db2.gz WHISECVYGOZLLI-KRWDZBQOSA-N 1 1 275.392 3.252 20 30 CGEDMO CC(C)[C@H]1CCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000049077537 369386452 /nfs/dbraw/zinc/38/64/52/369386452.db2.gz RNWHOURAYGLSRL-CYBMUJFWSA-N 1 1 291.420 3.069 20 30 CGEDMO C[C@@H](CNc1snc(Cl)c1C#N)[N@H+]1CCC[C@H](C)C1 ZINC000048559912 369358261 /nfs/dbraw/zinc/35/82/61/369358261.db2.gz RUOADDLVLZVATO-UWVGGRQHSA-N 1 1 298.843 3.200 20 30 CGEDMO CC1CCC([N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000048970442 369378264 /nfs/dbraw/zinc/37/82/64/369378264.db2.gz SDGVBENZKASITE-IMRCBTMISA-N 1 1 272.392 3.102 20 30 CGEDMO C=C(C)C[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000050963759 369443885 /nfs/dbraw/zinc/44/38/85/369443885.db2.gz KODBNUWXTKUPOU-MRXNPFEDSA-N 1 1 263.356 3.383 20 30 CGEDMO CCO[C@H]1C[C@@H]([N@@H+](C)CCCC#N)C12CCCCC2 ZINC000127435248 370953235 /nfs/dbraw/zinc/95/32/35/370953235.db2.gz WSYLFLKQNRFPTE-CABCVRRESA-N 1 1 264.413 3.350 20 30 CGEDMO CC[N@H+](CCC#N)Cc1cccc(-c2ccncc2)c1 ZINC000127640169 370954689 /nfs/dbraw/zinc/95/46/89/370954689.db2.gz CJSQBDDZWAKEPP-UHFFFAOYSA-N 1 1 265.360 3.484 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1cccc(-c2ccncc2)c1 ZINC000127640169 370954691 /nfs/dbraw/zinc/95/46/91/370954691.db2.gz CJSQBDDZWAKEPP-UHFFFAOYSA-N 1 1 265.360 3.484 20 30 CGEDMO Cc1cc([C@H]2C[N@H+](CCCCC#N)CCO2)ccc1F ZINC000128443680 370962807 /nfs/dbraw/zinc/96/28/07/370962807.db2.gz LDIJFYNKZUMBHN-MRXNPFEDSA-N 1 1 276.355 3.201 20 30 CGEDMO Cc1cc([C@H]2C[N@@H+](CCCCC#N)CCO2)ccc1F ZINC000128443680 370962819 /nfs/dbraw/zinc/96/28/19/370962819.db2.gz LDIJFYNKZUMBHN-MRXNPFEDSA-N 1 1 276.355 3.201 20 30 CGEDMO C#CCCC[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000276233446 193251288 /nfs/dbraw/zinc/25/12/88/193251288.db2.gz NNNSHZFGEKUNOW-IRXDYDNUSA-N 1 1 284.447 3.146 20 30 CGEDMO CC(C)CCOCC[N@@H+](C)Cc1cccc(C#N)c1 ZINC000056283597 369524305 /nfs/dbraw/zinc/52/43/05/369524305.db2.gz OTRADWVMSSCUOW-UHFFFAOYSA-N 1 1 260.381 3.053 20 30 CGEDMO COc1ccccc1C[C@H]1CCC[N@H+]1CCCC#N ZINC000058525622 369569923 /nfs/dbraw/zinc/56/99/23/369569923.db2.gz YEBHFFVOTHEHER-OAHLLOKOSA-N 1 1 258.365 3.006 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000276456303 193338006 /nfs/dbraw/zinc/33/80/06/193338006.db2.gz QCXQALVTOIGOIG-JTQLQIEISA-N 1 1 290.436 3.459 20 30 CGEDMO CCOC[C@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000072976271 369846214 /nfs/dbraw/zinc/84/62/14/369846214.db2.gz RMFAVYQFMQAYJF-HNNXBMFYSA-N 1 1 297.402 3.059 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)Nc1cc(C)cc(C)c1 ZINC000076738166 369941838 /nfs/dbraw/zinc/94/18/38/369941838.db2.gz DGTNXOUTQBNBNR-UHFFFAOYSA-N 1 1 260.381 3.140 20 30 CGEDMO C=CCc1cc(C[N@H+](CC)C[C@H](C)C#N)cc(OC)c1O ZINC000091982983 370083715 /nfs/dbraw/zinc/08/37/15/370083715.db2.gz CRKAKWWJXBFJIN-CYBMUJFWSA-N 1 1 288.391 3.111 20 30 CGEDMO C=CCc1cc(C[N@@H+](CC)C[C@H](C)C#N)cc(OC)c1O ZINC000091982983 370083719 /nfs/dbraw/zinc/08/37/19/370083719.db2.gz CRKAKWWJXBFJIN-CYBMUJFWSA-N 1 1 288.391 3.111 20 30 CGEDMO CC[N@@H+](Cc1cc2cc(OC)ccc2o1)C[C@H](C)C#N ZINC000091984260 370086266 /nfs/dbraw/zinc/08/62/66/370086266.db2.gz SMHREZHLVSNUQO-GFCCVEGCSA-N 1 1 272.348 3.423 20 30 CGEDMO CC[N@H+](Cc1cc2cc(OC)ccc2o1)C[C@H](C)C#N ZINC000091984260 370086275 /nfs/dbraw/zinc/08/62/75/370086275.db2.gz SMHREZHLVSNUQO-GFCCVEGCSA-N 1 1 272.348 3.423 20 30 CGEDMO CC[N@@H+](Cc1c[nH]nc1-c1ccc(OC)cc1)C[C@H](C)C#N ZINC000091984134 370086456 /nfs/dbraw/zinc/08/64/56/370086456.db2.gz DMMKRQRTIFYQER-CYBMUJFWSA-N 1 1 298.390 3.067 20 30 CGEDMO CC[N@H+](Cc1c[nH]nc1-c1ccc(OC)cc1)C[C@H](C)C#N ZINC000091984134 370086463 /nfs/dbraw/zinc/08/64/63/370086463.db2.gz DMMKRQRTIFYQER-CYBMUJFWSA-N 1 1 298.390 3.067 20 30 CGEDMO C=CC[N@H+](Cc1cc(C(N)=O)cs1)CC1CCCCC1 ZINC000093382961 370120352 /nfs/dbraw/zinc/12/03/52/370120352.db2.gz ZQCOGQJJTHWILK-UHFFFAOYSA-N 1 1 292.448 3.415 20 30 CGEDMO C#CC[N@H+](CCCCOC)[C@H]1CCc2ccccc21 ZINC000114207314 370493978 /nfs/dbraw/zinc/49/39/78/370493978.db2.gz MRVYERXQDSTEOC-KRWDZBQOSA-N 1 1 257.377 3.036 20 30 CGEDMO CC(C)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000117350495 370589039 /nfs/dbraw/zinc/58/90/39/370589039.db2.gz ZKKNEHCYJNCJCP-ZDUSSCGKSA-N 1 1 291.420 3.069 20 30 CGEDMO CC(C)[C@@H]1CCCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000117350495 370589043 /nfs/dbraw/zinc/58/90/43/370589043.db2.gz ZKKNEHCYJNCJCP-ZDUSSCGKSA-N 1 1 291.420 3.069 20 30 CGEDMO C=CC[N@H+](CCC(C)(C)C#N)Cc1cccc(C#N)c1 ZINC000131331509 371100660 /nfs/dbraw/zinc/10/06/60/371100660.db2.gz VGKDLTVJZOWVHK-UHFFFAOYSA-N 1 1 267.376 3.486 20 30 CGEDMO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000133469982 371253363 /nfs/dbraw/zinc/25/33/63/371253363.db2.gz JBATXTWGUOMLCI-DOTOQJQBSA-N 1 1 282.391 3.006 20 30 CGEDMO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000133469982 371253369 /nfs/dbraw/zinc/25/33/69/371253369.db2.gz JBATXTWGUOMLCI-DOTOQJQBSA-N 1 1 282.391 3.006 20 30 CGEDMO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000134228674 371312898 /nfs/dbraw/zinc/31/28/98/371312898.db2.gz RRKKLFOAHVDUOT-AUUYWEPGSA-N 1 1 292.382 3.382 20 30 CGEDMO CC(C)[C@H]1CC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000135057199 371387715 /nfs/dbraw/zinc/38/77/15/371387715.db2.gz LFKNJUONPKMRDT-INIZCTEOSA-N 1 1 272.392 3.305 20 30 CGEDMO C=CCCC[N@H+](C)CCC(=O)Nc1ccc(OCC)cc1 ZINC000137535108 371500057 /nfs/dbraw/zinc/50/00/57/371500057.db2.gz MWUWOXZAQYSPBQ-UHFFFAOYSA-N 1 1 290.407 3.312 20 30 CGEDMO C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C1CCC(F)(F)CC1 ZINC000286709845 371543274 /nfs/dbraw/zinc/54/32/74/371543274.db2.gz FLQUZSYJTNSAGH-HNNXBMFYSA-N 1 1 294.345 3.101 20 30 CGEDMO C=C[C@H](CC(=O)N1CC[C@@H]2CC[C@H](C1)[N@H+]2C)c1ccccc1 ZINC000137094576 371493103 /nfs/dbraw/zinc/49/31/03/371493103.db2.gz JVEDOSVZSSKMCT-BPQIPLTHSA-N 1 1 298.430 3.041 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000289328446 371755056 /nfs/dbraw/zinc/75/50/56/371755056.db2.gz UPCYOMSTGMJBFO-ROUUACIJSA-N 1 1 295.382 3.349 20 30 CGEDMO CCCC[C@@H](C)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000289737099 371806749 /nfs/dbraw/zinc/80/67/49/371806749.db2.gz DTBDDZADCKNXQP-LLVKDONJSA-N 1 1 279.409 3.069 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@@H]2c2ccncc2)ccc1C#N ZINC000289749779 371809083 /nfs/dbraw/zinc/80/90/83/371809083.db2.gz JCGKCMOQAWLUSK-QGZVFWFLSA-N 1 1 293.370 3.299 20 30 CGEDMO C[C@H]1C[N@@H+](CCCOc2cccc(C#N)c2)CCC1(F)F ZINC000289976168 371867406 /nfs/dbraw/zinc/86/74/06/371867406.db2.gz XJKSODMGJQATRI-ZDUSSCGKSA-N 1 1 294.345 3.304 20 30 CGEDMO CC#CCC[N@@H+]1CCC[C@H]1c1cc(OC)ccc1OC ZINC000155072600 371903632 /nfs/dbraw/zinc/90/36/32/371903632.db2.gz NJCUETOVGYSNCN-INIZCTEOSA-N 1 1 273.376 3.254 20 30 CGEDMO CC#CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000155207915 371914073 /nfs/dbraw/zinc/91/40/73/371914073.db2.gz GMDWWAPIQXDSPM-UHFFFAOYSA-N 1 1 260.337 3.219 20 30 CGEDMO CC[C@H](c1ccncc1)[N@H+](C)Cc1ccc(C#N)o1 ZINC000290622372 372029577 /nfs/dbraw/zinc/02/95/77/372029577.db2.gz XJKKCYYHNRFERV-OAHLLOKOSA-N 1 1 255.321 3.129 20 30 CGEDMO CC[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000290622372 372029580 /nfs/dbraw/zinc/02/95/80/372029580.db2.gz XJKKCYYHNRFERV-OAHLLOKOSA-N 1 1 255.321 3.129 20 30 CGEDMO CC[N@@H+](CCC(=O)Nc1ccccc1Cl)C[C@H](C)C#N ZINC000157653667 372031062 /nfs/dbraw/zinc/03/10/62/372031062.db2.gz OFMDXQFNEVCIMM-GFCCVEGCSA-N 1 1 293.798 3.150 20 30 CGEDMO CC[N@H+](CCOc1cccc(Cl)c1)C[C@H](C)C#N ZINC000157635374 372031433 /nfs/dbraw/zinc/03/14/33/372031433.db2.gz KRRWVTSSBASCIG-GFCCVEGCSA-N 1 1 266.772 3.200 20 30 CGEDMO CC[N@@H+](CCOc1cccc(Cl)c1)C[C@H](C)C#N ZINC000157635374 372031439 /nfs/dbraw/zinc/03/14/39/372031439.db2.gz KRRWVTSSBASCIG-GFCCVEGCSA-N 1 1 266.772 3.200 20 30 CGEDMO CCC[N@@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000157137033 372008715 /nfs/dbraw/zinc/00/87/15/372008715.db2.gz MMQALNFMBULBRH-UHFFFAOYSA-N 1 1 271.282 3.279 20 30 CGEDMO CC(C)[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000158704704 372081101 /nfs/dbraw/zinc/08/11/01/372081101.db2.gz KMCDYJNKIGBUET-UHFFFAOYSA-N 1 1 282.391 3.304 20 30 CGEDMO CC[C@@]1(C)CC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000344236291 217111078 /nfs/dbraw/zinc/11/10/78/217111078.db2.gz JVGFSEMLLJVNNH-KRWDZBQOSA-N 1 1 267.376 3.433 20 30 CGEDMO CC#CC[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000160100685 372212729 /nfs/dbraw/zinc/21/27/29/372212729.db2.gz ZNQDYMKGLIBXAV-UHFFFAOYSA-N 1 1 285.366 3.104 20 30 CGEDMO CSC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000292892397 372239937 /nfs/dbraw/zinc/23/99/37/372239937.db2.gz ZEFWIBRIRMYMRL-LLVKDONJSA-N 1 1 266.435 3.195 20 30 CGEDMO CC(C)[N@@H+](Cc1cccc(F)c1C#N)C1CCOCC1 ZINC000428380856 372187489 /nfs/dbraw/zinc/18/74/89/372187489.db2.gz DXPDPPWQRUQQOE-UHFFFAOYSA-N 1 1 276.355 3.087 20 30 CGEDMO COc1ccc(C[N@@H+](C)Cc2cc(C#N)cs2)cc1 ZINC000159870235 372188582 /nfs/dbraw/zinc/18/85/82/372188582.db2.gz UPDLPKDOTYHVEC-UHFFFAOYSA-N 1 1 272.373 3.260 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)c1 ZINC000428407570 372193878 /nfs/dbraw/zinc/19/38/78/372193878.db2.gz WSONVDPDAVXMRP-CQSZACIVSA-N 1 1 276.405 3.011 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428772569 372263709 /nfs/dbraw/zinc/26/37/09/372263709.db2.gz MUTJJALADGCMGA-MRXNPFEDSA-N 1 1 285.391 3.153 20 30 CGEDMO Cc1ccn(C2CC[NH+](Cc3cccc(F)c3C#N)CC2)n1 ZINC000428940884 372285493 /nfs/dbraw/zinc/28/54/93/372285493.db2.gz SAIJRTAOPNCHBG-UHFFFAOYSA-N 1 1 298.365 3.039 20 30 CGEDMO CCC[C@]1(COC)CCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428938101 372285586 /nfs/dbraw/zinc/28/55/86/372285586.db2.gz IBINYRUYNABLMT-QGZVFWFLSA-N 1 1 290.382 3.478 20 30 CGEDMO COCC(C)(C)[N@@H+](C)CC#Cc1ccccc1Cl ZINC000429254058 372330046 /nfs/dbraw/zinc/33/00/46/372330046.db2.gz DGMRBILUYWOVGL-UHFFFAOYSA-N 1 1 265.784 3.048 20 30 CGEDMO CCc1noc(C)c1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000162761204 372419574 /nfs/dbraw/zinc/41/95/74/372419574.db2.gz JRKZSQCVNDRRNZ-UHFFFAOYSA-N 1 1 269.348 3.049 20 30 CGEDMO CCc1noc(C)c1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000162761204 372419578 /nfs/dbraw/zinc/41/95/78/372419578.db2.gz JRKZSQCVNDRRNZ-UHFFFAOYSA-N 1 1 269.348 3.049 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000430112892 372384692 /nfs/dbraw/zinc/38/46/92/372384692.db2.gz ZZBLRKNUAMQCIU-WCQYABFASA-N 1 1 256.340 3.293 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000430277198 372387568 /nfs/dbraw/zinc/38/75/68/372387568.db2.gz LVRJEBQALSCNJR-VVLHAWIVSA-N 1 1 281.440 3.390 20 30 CGEDMO N#CCCCC[N@@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430307363 372387890 /nfs/dbraw/zinc/38/78/90/372387890.db2.gz QUBOBYMBKSQSOK-UHFFFAOYSA-N 1 1 294.402 3.215 20 30 CGEDMO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)C1(C)C ZINC000344374203 217174935 /nfs/dbraw/zinc/17/49/35/217174935.db2.gz KWJQCFBXSMYVKM-NVXWUHKLSA-N 1 1 290.382 3.333 20 30 CGEDMO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C/C=C/C)C(=O)OCC ZINC000432905437 372575896 /nfs/dbraw/zinc/57/58/96/372575896.db2.gz KRAJWOLGQTUCFU-XAUZTDOBSA-N 1 1 253.386 3.075 20 30 CGEDMO CCOC(=O)CCC[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000171032847 372701099 /nfs/dbraw/zinc/70/10/99/372701099.db2.gz FXUXPMHQWYBULA-CQSZACIVSA-N 1 1 288.391 3.284 20 30 CGEDMO C=C(CC)C[N@@H+]1[C@H](C(=O)OC)CC[C@H]1c1ccccc1 ZINC000434794321 372712101 /nfs/dbraw/zinc/71/21/01/372712101.db2.gz MLUIMTDZICQFSF-HOTGVXAUSA-N 1 1 273.376 3.331 20 30 CGEDMO C=C(CC)C[N@H+]1[C@H](C(=O)OC)CC[C@H]1c1ccccc1 ZINC000434794321 372712105 /nfs/dbraw/zinc/71/21/05/372712105.db2.gz MLUIMTDZICQFSF-HOTGVXAUSA-N 1 1 273.376 3.331 20 30 CGEDMO C=CCCCC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437867902 372859727 /nfs/dbraw/zinc/85/97/27/372859727.db2.gz OXZBFISNTCMBOS-INIZCTEOSA-N 1 1 278.440 3.256 20 30 CGEDMO CC(C)[N@@H+](CCc1cccnc1)Cc1ccc(C#N)cc1 ZINC000172076465 372895016 /nfs/dbraw/zinc/89/50/16/372895016.db2.gz REEOWHQXVNBRLL-UHFFFAOYSA-N 1 1 279.387 3.406 20 30 CGEDMO C=CC[N@H+](CC1CC1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000438269135 372918482 /nfs/dbraw/zinc/91/84/82/372918482.db2.gz JYCZBGYPWRPQKC-QGZVFWFLSA-N 1 1 287.403 3.059 20 30 CGEDMO C=CC[N@@H+](CC1CC1)[C@H](Cc1ccccc1)C(=O)OCC ZINC000438269135 372918491 /nfs/dbraw/zinc/91/84/91/372918491.db2.gz JYCZBGYPWRPQKC-QGZVFWFLSA-N 1 1 287.403 3.059 20 30 CGEDMO CO[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)[C@@H](C)C1 ZINC000441343757 373003374 /nfs/dbraw/zinc/00/33/74/373003374.db2.gz GYUJPNMFKCUFKC-ZFWWWQNUSA-N 1 1 277.795 3.191 20 30 CGEDMO CO[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)[C@@H](C)C1 ZINC000441343757 373003379 /nfs/dbraw/zinc/00/33/79/373003379.db2.gz GYUJPNMFKCUFKC-ZFWWWQNUSA-N 1 1 277.795 3.191 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2cn3ccccc3c2C#N)CC1(C)C ZINC000296254249 373070102 /nfs/dbraw/zinc/07/01/02/373070102.db2.gz YBBSDNUVKVFIMU-KRWDZBQOSA-N 1 1 297.402 3.058 20 30 CGEDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ccc(C(F)(F)F)cc1C#N ZINC000443502803 373153929 /nfs/dbraw/zinc/15/39/29/373153929.db2.gz SUCIAXRMQSSTOX-GHMZBOCLSA-N 1 1 297.324 3.106 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)cc1 ZINC000443794387 373160897 /nfs/dbraw/zinc/16/08/97/373160897.db2.gz ZNNDMJFVURKXQO-RLFYNMQTSA-N 1 1 289.419 3.233 20 30 CGEDMO Cc1cc(CN[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1C#N ZINC000443975216 373164890 /nfs/dbraw/zinc/16/48/90/373164890.db2.gz YVWPVXCUBMBWLH-UXLLHSPISA-N 1 1 299.462 3.323 20 30 CGEDMO Cc1cc(C[NH2+][C@@H](C)CN2C[C@H](C)C[C@H](C)C2)ccc1C#N ZINC000443975216 373164897 /nfs/dbraw/zinc/16/48/97/373164897.db2.gz YVWPVXCUBMBWLH-UXLLHSPISA-N 1 1 299.462 3.323 20 30 CGEDMO COc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)ccc1C#N ZINC000443072888 373149112 /nfs/dbraw/zinc/14/91/12/373149112.db2.gz RZYIZMJOSVWPCG-ZWNOBZJWSA-N 1 1 298.308 3.340 20 30 CGEDMO C=CC[C@H]1[N@H+](CCC(=O)N2CCCCC2)CCCC1(C)C ZINC000444776799 373272786 /nfs/dbraw/zinc/27/27/86/373272786.db2.gz DLOFXHDWFXFAFZ-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444695060 373239267 /nfs/dbraw/zinc/23/92/67/373239267.db2.gz LIPVRVOWJHLTSB-GFCCVEGCSA-N 1 1 298.308 3.341 20 30 CGEDMO CC(C)(C#N)CCCC[N@@H+](CCO)Cc1cccc(F)c1 ZINC000444691827 373240248 /nfs/dbraw/zinc/24/02/48/373240248.db2.gz DJUUVQNPRJEXKO-UHFFFAOYSA-N 1 1 292.398 3.340 20 30 CGEDMO CC(C)[C@H]1CCC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000444773031 373269088 /nfs/dbraw/zinc/26/90/88/373269088.db2.gz PXBCKTMBEXBRTP-INIZCTEOSA-N 1 1 272.392 3.305 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445875179 373317206 /nfs/dbraw/zinc/31/72/06/373317206.db2.gz JOEPSQATXDQMKT-GFCCVEGCSA-N 1 1 282.181 3.391 20 30 CGEDMO CC[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000446731339 373350392 /nfs/dbraw/zinc/35/03/92/373350392.db2.gz HETQKUWCZGPEII-NSHDSACASA-N 1 1 280.318 3.392 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC(CC)(CC)C1 ZINC000446738651 373355324 /nfs/dbraw/zinc/35/53/24/373355324.db2.gz KPEXRJVPIIMTEH-OAHLLOKOSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2cnc(N(C)C)nc2)CCCC1(C)C ZINC000446856058 373371048 /nfs/dbraw/zinc/37/10/48/373371048.db2.gz LSJKZPUOCDRLSP-HNNXBMFYSA-N 1 1 288.439 3.109 20 30 CGEDMO CCC[N@@H+]1CC[C@H](CN[C@H](CC)c2ccc(C#N)cc2)C1 ZINC000447531268 373446415 /nfs/dbraw/zinc/44/64/15/373446415.db2.gz QNUSASIMSBUDSK-SJLPKXTDSA-N 1 1 285.435 3.331 20 30 CGEDMO CCC[N@H+]1CC[C@H](CN[C@H](CC)c2ccc(C#N)cc2)C1 ZINC000447531268 373446417 /nfs/dbraw/zinc/44/64/17/373446417.db2.gz QNUSASIMSBUDSK-SJLPKXTDSA-N 1 1 285.435 3.331 20 30 CGEDMO CC#CCC[N@H+]1CCN(c2cccc3cnccc32)C[C@H]1C ZINC000447389957 373431700 /nfs/dbraw/zinc/43/17/00/373431700.db2.gz BZZHTLCVSDDNJN-MRXNPFEDSA-N 1 1 293.414 3.159 20 30 CGEDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000447843918 373506688 /nfs/dbraw/zinc/50/66/88/373506688.db2.gz OLKFUYVQHMTOMA-PBHICJAKSA-N 1 1 291.822 3.317 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000300257953 373621884 /nfs/dbraw/zinc/62/18/84/373621884.db2.gz RFJFSDWBPOXJRQ-BZUAXINKSA-N 1 1 251.414 3.358 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CCC[N@H+](CC)C2)CCCCC1 ZINC000448825692 373643954 /nfs/dbraw/zinc/64/39/54/373643954.db2.gz XBVPXGKHUTZKIH-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)ccc1C#N ZINC000300200672 373619762 /nfs/dbraw/zinc/61/97/62/373619762.db2.gz VXQDVPPNNLYEPL-GOEBONIOSA-N 1 1 270.376 3.331 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cnn(-c2ccc(OC)cc2)c1 ZINC000449026745 373657013 /nfs/dbraw/zinc/65/70/13/373657013.db2.gz GSNFYGCLYKPQPR-UHFFFAOYSA-N 1 1 285.391 3.279 20 30 CGEDMO CCCC[N@@H+](C)CCNc1c(C#N)cnc2ccccc21 ZINC000301383781 373768552 /nfs/dbraw/zinc/76/85/52/373768552.db2.gz BILPQEMVFHXPMV-UHFFFAOYSA-N 1 1 282.391 3.250 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H](C)C2)c1C ZINC000301764622 373803396 /nfs/dbraw/zinc/80/33/96/373803396.db2.gz RCKMGKTWRLXQRB-ZDUSSCGKSA-N 1 1 274.408 3.206 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CCC[C@H](C)C2)c1C ZINC000301764622 373803402 /nfs/dbraw/zinc/80/34/02/373803402.db2.gz RCKMGKTWRLXQRB-ZDUSSCGKSA-N 1 1 274.408 3.206 20 30 CGEDMO N#Cc1cccc(C[N@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)c1 ZINC000449530496 373828889 /nfs/dbraw/zinc/82/88/89/373828889.db2.gz ADWIIWHQYPUQIL-DLBZAZTESA-N 1 1 252.361 3.179 20 30 CGEDMO C=CCOc1cccc(C[NH2+][C@H]2C[C@H](C)n3ccnc32)c1 ZINC000449575299 373833490 /nfs/dbraw/zinc/83/34/90/373833490.db2.gz XRTIRYBRXCILHY-BBRMVZONSA-N 1 1 283.375 3.244 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CCCC1 ZINC000449847150 373943390 /nfs/dbraw/zinc/94/33/90/373943390.db2.gz DOTBJQSYXYTLBJ-OAHLLOKOSA-N 1 1 290.451 3.256 20 30 CGEDMO Cc1cc(Br)cc(C[N@H+](C)[C@H](C)CC#N)c1O ZINC000180056660 373958486 /nfs/dbraw/zinc/95/84/86/373958486.db2.gz UGOHJUZCDDFNKP-SNVBAGLBSA-N 1 1 297.196 3.197 20 30 CGEDMO C[C@@H](c1ccccc1)[C@@H](O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000450224909 374008005 /nfs/dbraw/zinc/00/80/05/374008005.db2.gz DQVYHGATVDVWPG-KXBFYZLASA-N 1 1 294.398 3.155 20 30 CGEDMO CC(C)[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)C[C@@H](C)O ZINC000304782755 374059055 /nfs/dbraw/zinc/05/90/55/374059055.db2.gz GWFKGIBNZAGZJA-CYBMUJFWSA-N 1 1 299.336 3.148 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@@H]1CN(CC#N)C1CCCC1 ZINC000450420402 374116297 /nfs/dbraw/zinc/11/62/97/374116297.db2.gz CFIMOCVLAQNRJN-MRXNPFEDSA-N 1 1 263.429 3.017 20 30 CGEDMO C[C@@H]1C[C@H](Nc2cccc(Cl)c2C#N)C[N@H+]1C1CC1 ZINC000450380213 374091168 /nfs/dbraw/zinc/09/11/68/374091168.db2.gz RBOLORNIPXUDFW-MNOVXSKESA-N 1 1 275.783 3.249 20 30 CGEDMO C=CC(C)(C)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000450409202 374108830 /nfs/dbraw/zinc/10/88/30/374108830.db2.gz VMMMUVPTDIWSPF-UHFFFAOYSA-N 1 1 286.419 3.474 20 30 CGEDMO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)CC1(C#N)CCC1 ZINC000450585991 374163766 /nfs/dbraw/zinc/16/37/66/374163766.db2.gz NQQYQEFFEYPPKT-BBRMVZONSA-N 1 1 270.376 3.004 20 30 CGEDMO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)CC1(C#N)CCC1 ZINC000450585991 374163767 /nfs/dbraw/zinc/16/37/67/374163767.db2.gz NQQYQEFFEYPPKT-BBRMVZONSA-N 1 1 270.376 3.004 20 30 CGEDMO CCC1(CC)CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000316679560 374336947 /nfs/dbraw/zinc/33/69/47/374336947.db2.gz HTQHHMNYPXOSQH-UHFFFAOYSA-N 1 1 299.418 3.399 20 30 CGEDMO CC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)CC(C)(C)C ZINC000314323837 374315663 /nfs/dbraw/zinc/31/56/63/374315663.db2.gz JHYBRPVCYYYLRN-UHFFFAOYSA-N 1 1 287.407 3.255 20 30 CGEDMO C[N@@H+](CCNC(=O)c1ncoc1C1CC1)C1CCCCC1 ZINC000328785054 374381648 /nfs/dbraw/zinc/38/16/48/374381648.db2.gz OENKGVWSIFAASB-UHFFFAOYSA-N 1 1 291.395 3.121 20 30 CGEDMO Cc1cc(C[NH2+]C[C@@H](C)C#N)ccc1Oc1cccnc1 ZINC000183825665 374460966 /nfs/dbraw/zinc/46/09/66/374460966.db2.gz VPFKLQXPRIGYMN-ZDUSSCGKSA-N 1 1 281.359 3.432 20 30 CGEDMO Cc1cc(C[N@H+](C)C2(C(N)=O)CCCC2)ccc1C#N ZINC000331102464 374505126 /nfs/dbraw/zinc/50/51/26/374505126.db2.gz GPGLUXQJPQYXSI-UHFFFAOYSA-N 1 1 271.364 3.147 20 30 CGEDMO COCC1=CC[N@@H+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000185858123 374755218 /nfs/dbraw/zinc/75/52/18/374755218.db2.gz PLNXFMCXIQNJOI-UHFFFAOYSA-N 1 1 284.403 3.266 20 30 CGEDMO CC1(C)CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459353547 374804593 /nfs/dbraw/zinc/80/45/93/374804593.db2.gz WUBUMTCRWBAATM-UHFFFAOYSA-N 1 1 273.336 3.088 20 30 CGEDMO CC1(C)CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459353547 374804603 /nfs/dbraw/zinc/80/46/03/374804603.db2.gz WUBUMTCRWBAATM-UHFFFAOYSA-N 1 1 273.336 3.088 20 30 CGEDMO C[C@H]1CCCC[C@H]1[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459405972 374807346 /nfs/dbraw/zinc/80/73/46/374807346.db2.gz FYESSPUGAMXBRK-SWLSCSKDSA-N 1 1 287.363 3.477 20 30 CGEDMO C=C(C)C[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000334635770 374926553 /nfs/dbraw/zinc/92/65/53/374926553.db2.gz FTGKVMYPCWIPLO-INIZCTEOSA-N 1 1 257.377 3.416 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CCCC1 ZINC000334635233 374927501 /nfs/dbraw/zinc/92/75/01/374927501.db2.gz LARWCAWMDIJKBJ-QGZVFWFLSA-N 1 1 290.451 3.067 20 30 CGEDMO CC[N@@H+](Cc1ccc(Cl)cc1C#N)C[C@@H]1CCCO1 ZINC000186893783 374934582 /nfs/dbraw/zinc/93/45/82/374934582.db2.gz VJSXRVCLBZKRII-HNNXBMFYSA-N 1 1 278.783 3.213 20 30 CGEDMO CC[N@H+](Cc1ccc(Cl)cc1C#N)C[C@@H]1CCCO1 ZINC000186893783 374934586 /nfs/dbraw/zinc/93/45/86/374934586.db2.gz VJSXRVCLBZKRII-HNNXBMFYSA-N 1 1 278.783 3.213 20 30 CGEDMO N#Cc1ccc(C[NH+]2CC(c3ccc(Cl)cc3)C2)o1 ZINC000334619620 374913049 /nfs/dbraw/zinc/91/30/49/374913049.db2.gz MWGQORNRIZYLKS-UHFFFAOYSA-N 1 1 272.735 3.404 20 30 CGEDMO C=CCC[C@H](CCC)[N@H+]1CCC[C@@H]1C(=O)OCC ZINC000468548866 374983383 /nfs/dbraw/zinc/98/33/83/374983383.db2.gz QPXSRWZDEVEDNS-UONOGXRCSA-N 1 1 253.386 3.149 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCCC[C@@H](COC)C2)cc1 ZINC000468698092 374983414 /nfs/dbraw/zinc/98/34/14/374983414.db2.gz DUBIVRIFLSJCGN-QGZVFWFLSA-N 1 1 289.419 3.500 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000187190191 374985659 /nfs/dbraw/zinc/98/56/59/374985659.db2.gz DQLRLDCOVINDOC-CZUORRHYSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000187190191 374985663 /nfs/dbraw/zinc/98/56/63/374985663.db2.gz DQLRLDCOVINDOC-CZUORRHYSA-N 1 1 290.794 3.213 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000470790956 375000953 /nfs/dbraw/zinc/00/09/53/375000953.db2.gz ZTTXKSXFGMVCEY-INIZCTEOSA-N 1 1 277.383 3.283 20 30 CGEDMO C=CCOCCC[N@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000470788186 375001577 /nfs/dbraw/zinc/00/15/77/375001577.db2.gz DPDZGAHSDMICDZ-IBGZPJMESA-N 1 1 296.414 3.486 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](C)CCCOc1ccc(Cl)cc1 ZINC000472777141 375033957 /nfs/dbraw/zinc/03/39/57/375033957.db2.gz SLBCOAXUCFNEAM-HNNXBMFYSA-N 1 1 297.826 3.368 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](C)CCCOc1ccc(Cl)cc1 ZINC000472777145 375034158 /nfs/dbraw/zinc/03/41/58/375034158.db2.gz SLBCOAXUCFNEAM-OAHLLOKOSA-N 1 1 297.826 3.368 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCC(=O)OC(C)(C)C ZINC000187702725 375076725 /nfs/dbraw/zinc/07/67/25/375076725.db2.gz BFZFHAVFYLPVCS-CYBMUJFWSA-N 1 1 288.391 3.283 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)cc1 ZINC000475268803 375131353 /nfs/dbraw/zinc/13/13/53/375131353.db2.gz KXNBSADGXRJASN-RDTXWAMCSA-N 1 1 287.403 3.251 20 30 CGEDMO Cc1nccnc1[C@@H](C)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000188258260 375185400 /nfs/dbraw/zinc/18/54/00/375185400.db2.gz WHXQTSYRNBORTM-ZBFHGGJFSA-N 1 1 280.375 3.481 20 30 CGEDMO COCC[N@@H+](CC#Cc1ccc(F)cc1)[C@H]1CC[C@@H](C)C1 ZINC000484871228 375188657 /nfs/dbraw/zinc/18/86/57/375188657.db2.gz MINVMXQZZAOYQP-QAPCUYQASA-N 1 1 289.394 3.314 20 30 CGEDMO COCC[N@@H+](Cc1cccc(C#N)c1F)[C@@H]1CCC[C@H]1C ZINC000487981051 375290354 /nfs/dbraw/zinc/29/03/54/375290354.db2.gz NAAMWSXDBIKUIV-CZUORRHYSA-N 1 1 290.382 3.334 20 30 CGEDMO CC(C)[N@@H+](CCOCC(F)F)Cc1ccc(C#N)cc1 ZINC000188924734 375293092 /nfs/dbraw/zinc/29/30/92/375293092.db2.gz HNRAUWOBCNRFDL-UHFFFAOYSA-N 1 1 282.334 3.050 20 30 CGEDMO Cc1nc(N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)ccc1C#N ZINC000488053780 375299348 /nfs/dbraw/zinc/29/93/48/375299348.db2.gz FECSJADRIUDKBU-VBQJREDUSA-N 1 1 298.434 3.103 20 30 CGEDMO Cc1cc(F)c(C[NH+]2CCC(CC#N)CC2)c(F)c1 ZINC000335558706 375330700 /nfs/dbraw/zinc/33/07/00/375330700.db2.gz JCUVMQUDJPDHQS-UHFFFAOYSA-N 1 1 264.319 3.399 20 30 CGEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000335813294 375451688 /nfs/dbraw/zinc/45/16/88/375451688.db2.gz IFFUKGWUYVGTJV-OAHLLOKOSA-N 1 1 298.365 3.374 20 30 CGEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1cccc(C#N)c1F ZINC000335813294 375451693 /nfs/dbraw/zinc/45/16/93/375451693.db2.gz IFFUKGWUYVGTJV-OAHLLOKOSA-N 1 1 298.365 3.374 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496371239 375531431 /nfs/dbraw/zinc/53/14/31/375531431.db2.gz YCPAZOUXRVEMGK-GJZGRUSLSA-N 1 1 294.439 3.284 20 30 CGEDMO C[C@H](CCC#N)[NH+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000496526555 375539157 /nfs/dbraw/zinc/53/91/57/375539157.db2.gz CWJCRKFIRXTEEP-MGPQQGTHSA-N 1 1 295.427 3.008 20 30 CGEDMO C=CC[NH+](CC=C)Cc1ccc(Br)o1 ZINC000191161737 375587837 /nfs/dbraw/zinc/58/78/37/375587837.db2.gz VHSJOVTVXLBCTN-UHFFFAOYSA-N 1 1 256.143 3.216 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000497024318 375573425 /nfs/dbraw/zinc/57/34/25/375573425.db2.gz BLQSRRYUSPYTDH-CQSZACIVSA-N 1 1 282.428 3.189 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)C[C@@H]2CCCC[C@H]2O)cc1 ZINC000497114817 375578731 /nfs/dbraw/zinc/57/87/31/375578731.db2.gz MSCUPIUOQKDZDC-FUHWJXTLSA-N 1 1 289.419 3.234 20 30 CGEDMO C[C@H]1[N@@H+](Cc2cc(C#N)ccc2F)CCC12CCOCC2 ZINC000335996805 375602136 /nfs/dbraw/zinc/60/21/36/375602136.db2.gz OVWXNCXKWMRXNH-CYBMUJFWSA-N 1 1 288.366 3.088 20 30 CGEDMO C[C@@H]1[N@@H+](Cc2cc(F)ccc2C#N)CCC12CCOCC2 ZINC000335997959 375604441 /nfs/dbraw/zinc/60/44/41/375604441.db2.gz XZJBBFRVQZZEOY-ZDUSSCGKSA-N 1 1 288.366 3.088 20 30 CGEDMO N#Cc1cc(F)ccc1C[NH+]1CCC(c2ccncc2)CC1 ZINC000191668715 375649484 /nfs/dbraw/zinc/64/94/84/375649484.db2.gz PESGDCSCLNZHGJ-UHFFFAOYSA-N 1 1 295.361 3.472 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2C2CCOCC2)cc1F ZINC000336087319 375676581 /nfs/dbraw/zinc/67/65/81/375676581.db2.gz NODYXHPUHKLFBW-KRWDZBQOSA-N 1 1 288.366 3.088 20 30 CGEDMO C[N@@H+](CCc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000191948170 375682363 /nfs/dbraw/zinc/68/23/63/375682363.db2.gz XNZJZVQPMRSQKS-UHFFFAOYSA-N 1 1 268.335 3.372 20 30 CGEDMO N#Cc1c(F)cccc1C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000336118583 375698315 /nfs/dbraw/zinc/69/83/15/375698315.db2.gz VDNIBKBOVAXDLC-QGZVFWFLSA-N 1 1 288.366 3.088 20 30 CGEDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000124185492 542031199 /nfs/dbraw/zinc/03/11/99/542031199.db2.gz UFYKRHPTIUGULG-BBRMVZONSA-N 1 1 290.382 3.213 20 30 CGEDMO FC(F)OC[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000512826000 375799305 /nfs/dbraw/zinc/79/93/05/375799305.db2.gz BCSPMJPSECGDRV-LBPRGKRZSA-N 1 1 299.748 3.253 20 30 CGEDMO FC(F)OC[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000512826000 375799313 /nfs/dbraw/zinc/79/93/13/375799313.db2.gz BCSPMJPSECGDRV-LBPRGKRZSA-N 1 1 299.748 3.253 20 30 CGEDMO N#C[C@H]1CC[C@@H]([N@@H+]2CCc3c(F)cc(F)cc3C2)C1 ZINC000336520985 375802523 /nfs/dbraw/zinc/80/25/23/375802523.db2.gz YPPUPMLWZCZSBJ-GXFFZTMASA-N 1 1 262.303 3.015 20 30 CGEDMO N#C[C@H]1CC[C@@H]([N@H+]2CCc3c(F)cc(F)cc3C2)C1 ZINC000336520985 375802529 /nfs/dbraw/zinc/80/25/29/375802529.db2.gz YPPUPMLWZCZSBJ-GXFFZTMASA-N 1 1 262.303 3.015 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+](C)Cc1ccc(CC)cc1 ZINC000514854902 375807100 /nfs/dbraw/zinc/80/71/00/375807100.db2.gz SOPUWTGQFAZRFF-UHFFFAOYSA-N 1 1 288.435 3.105 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)Cc1ccc(CC)cc1 ZINC000514854902 375807106 /nfs/dbraw/zinc/80/71/06/375807106.db2.gz SOPUWTGQFAZRFF-UHFFFAOYSA-N 1 1 288.435 3.105 20 30 CGEDMO Fc1ccc(C#CC[N@@H+]2CCC=C(c3ccccn3)C2)cc1 ZINC000515200625 375811400 /nfs/dbraw/zinc/81/14/00/375811400.db2.gz WJUYQZIFYMRSTE-UHFFFAOYSA-N 1 1 292.357 3.362 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCC=C(c3ccccn3)C2)cc1 ZINC000515200625 375811404 /nfs/dbraw/zinc/81/14/04/375811404.db2.gz WJUYQZIFYMRSTE-UHFFFAOYSA-N 1 1 292.357 3.362 20 30 CGEDMO COc1ncccc1C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000193320540 375860549 /nfs/dbraw/zinc/86/05/49/375860549.db2.gz KNNNHTJDMRTMLQ-UHFFFAOYSA-N 1 1 295.386 3.372 20 30 CGEDMO COc1ncccc1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000193320540 375860552 /nfs/dbraw/zinc/86/05/52/375860552.db2.gz KNNNHTJDMRTMLQ-UHFFFAOYSA-N 1 1 295.386 3.372 20 30 CGEDMO N#CC1(C[C@H](O)C[N@H+]2CCCC3(CCCCC3)CC2)CC1 ZINC000528475167 375903806 /nfs/dbraw/zinc/90/38/06/375903806.db2.gz QDQKKCQHZRSDRD-INIZCTEOSA-N 1 1 290.451 3.478 20 30 CGEDMO C=CCCCCC[NH2+]C1(c2noc(C)n2)CCCC1 ZINC000193363321 375869360 /nfs/dbraw/zinc/86/93/60/375869360.db2.gz RGGSQUGPXXURNP-UHFFFAOYSA-N 1 1 263.385 3.483 20 30 CGEDMO C=CCCCCCN(C)C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000531485076 375946159 /nfs/dbraw/zinc/94/61/59/375946159.db2.gz IOVNFGANFGNYHQ-INIZCTEOSA-N 1 1 295.471 3.105 20 30 CGEDMO Cc1cnc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cn1 ZINC000336832870 375995378 /nfs/dbraw/zinc/99/53/78/375995378.db2.gz BMPUIVOHJCDTFJ-UHFFFAOYSA-N 1 1 280.375 3.067 20 30 CGEDMO Cc1c(C[N@@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cnn1C ZINC000336857188 376015447 /nfs/dbraw/zinc/01/54/47/376015447.db2.gz QUNNHKBOCWUZBP-QZTJIDSGSA-N 1 1 294.402 3.000 20 30 CGEDMO Cc1c(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)cnn1C ZINC000336857188 376015451 /nfs/dbraw/zinc/01/54/51/376015451.db2.gz QUNNHKBOCWUZBP-QZTJIDSGSA-N 1 1 294.402 3.000 20 30 CGEDMO C=CCN1CC[C@H]([N@H+](C)[C@H](C)c2ccc(C)cc2C)C1=O ZINC000337129395 376088732 /nfs/dbraw/zinc/08/87/32/376088732.db2.gz IODCDZLUZUJJQD-WBVHZDCISA-N 1 1 286.419 3.083 20 30 CGEDMO C=CC[N@@H+](CCO[C@H]1CCCCO1)Cc1ccccc1 ZINC000195233794 376092337 /nfs/dbraw/zinc/09/23/37/376092337.db2.gz JWHDWKUPWVHQPM-KRWDZBQOSA-N 1 1 275.392 3.218 20 30 CGEDMO N#CC1(CCC[N@H+]2CCC[C@H]3CCC[C@H]32)CCOCC1 ZINC000337184588 376121274 /nfs/dbraw/zinc/12/12/74/376121274.db2.gz NWEVXOQSCVEUJH-HZPDHXFCSA-N 1 1 276.424 3.351 20 30 CGEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H](c3ccccc3)CC2)C1=O ZINC000337145613 376100139 /nfs/dbraw/zinc/10/01/39/376100139.db2.gz XMNMPLMJKQMYAL-ZWKOTPCHSA-N 1 1 298.430 3.043 20 30 CGEDMO C[C@H]1CCCC[C@@H]1[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000195669924 376116958 /nfs/dbraw/zinc/11/69/58/376116958.db2.gz XTIJREVRJKKELY-YOEHRIQHSA-N 1 1 299.418 3.397 20 30 CGEDMO C=C(CNC1CC[NH+](CCC)CC1)c1ccccc1 ZINC000211846409 376135218 /nfs/dbraw/zinc/13/52/18/376135218.db2.gz WFMCNDFFDUXISO-UHFFFAOYSA-N 1 1 258.409 3.164 20 30 CGEDMO C[C@H]1C[N@@H+](CC2(C#N)CC2)CC[C@@H]1c1ccccc1 ZINC000537255330 376157407 /nfs/dbraw/zinc/15/74/07/376157407.db2.gz STRXZSSAWSFCOY-HOCLYGCPSA-N 1 1 254.377 3.416 20 30 CGEDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cccc(C#N)c1 ZINC000198736681 376122999 /nfs/dbraw/zinc/12/29/99/376122999.db2.gz VSPUFLTZUAPTJJ-UHFFFAOYSA-N 1 1 294.354 3.309 20 30 CGEDMO C=CCCc1ccccc1NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000337597012 376231213 /nfs/dbraw/zinc/23/12/13/376231213.db2.gz KEICPRHRUZOQDN-OAHLLOKOSA-N 1 1 287.407 3.021 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1cccc(C(C)C)c1)C1CC1 ZINC000538955389 376281327 /nfs/dbraw/zinc/28/13/27/376281327.db2.gz JCWUFNVTKWCPMK-UHFFFAOYSA-N 1 1 272.392 3.399 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1cccc(C(C)C)c1)C1CC1 ZINC000538955389 376281330 /nfs/dbraw/zinc/28/13/30/376281330.db2.gz JCWUFNVTKWCPMK-UHFFFAOYSA-N 1 1 272.392 3.399 20 30 CGEDMO CC[C@H](CSC)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000223573529 376256976 /nfs/dbraw/zinc/25/69/76/376256976.db2.gz HEMZEEXUBDLNIZ-CYBMUJFWSA-N 1 1 266.385 3.271 20 30 CGEDMO COC(=O)c1oc(C[NH2+][C@H](C)c2ccc(C#N)cc2)cc1C ZINC000338363238 376351441 /nfs/dbraw/zinc/35/14/41/376351441.db2.gz SKQABCRZZAIDIV-GFCCVEGCSA-N 1 1 298.342 3.097 20 30 CGEDMO C=CC[N@@H+](CCCO[C@@H]1CCCCO1)CCc1ccco1 ZINC000338289575 376316551 /nfs/dbraw/zinc/31/65/51/376316551.db2.gz ITDJEWGWKAGJFJ-QGZVFWFLSA-N 1 1 293.407 3.243 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)Cc1ccc2[nH]cnc2c1 ZINC000539840355 376340831 /nfs/dbraw/zinc/34/08/31/376340831.db2.gz NLSDJPWBFURDMK-UHFFFAOYSA-N 1 1 270.380 3.325 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc2[nH]cnc2c1 ZINC000539840355 376340835 /nfs/dbraw/zinc/34/08/35/376340835.db2.gz NLSDJPWBFURDMK-UHFFFAOYSA-N 1 1 270.380 3.325 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)Cc1ccc2nc[nH]c2c1 ZINC000539840355 376340842 /nfs/dbraw/zinc/34/08/42/376340842.db2.gz NLSDJPWBFURDMK-UHFFFAOYSA-N 1 1 270.380 3.325 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc2nc[nH]c2c1 ZINC000539840355 376340851 /nfs/dbraw/zinc/34/08/51/376340851.db2.gz NLSDJPWBFURDMK-UHFFFAOYSA-N 1 1 270.380 3.325 20 30 CGEDMO C=CCC[N@@H+]1CCc2c(ncn2-c2ccc(C)cc2)C1 ZINC000338543295 376417224 /nfs/dbraw/zinc/41/72/24/376417224.db2.gz LYORTVRFUUTUPV-UHFFFAOYSA-N 1 1 267.376 3.115 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C[C@@H]1CCc2ccccc2C1)C1CC1 ZINC000541985916 376499886 /nfs/dbraw/zinc/49/98/86/376499886.db2.gz VXPBLALGGPABNJ-HUUCEWRRSA-N 1 1 268.404 3.416 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCO[C@@H](C3CCCCC3)C2)cc1 ZINC000542647998 376563492 /nfs/dbraw/zinc/56/34/92/376563492.db2.gz GVMIDGWCKZRXQA-GOSISDBHSA-N 1 1 284.403 3.339 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCO[C@@H](C3CCCCC3)C2)cc1 ZINC000542647998 376563500 /nfs/dbraw/zinc/56/35/00/376563500.db2.gz GVMIDGWCKZRXQA-GOSISDBHSA-N 1 1 284.403 3.339 20 30 CGEDMO C[C@H](C1CCCCC1)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000338955480 376600532 /nfs/dbraw/zinc/60/05/32/376600532.db2.gz OOQJTPCQAGUYJX-CYBMUJFWSA-N 1 1 259.397 3.297 20 30 CGEDMO CC[C@@H](C)C[N@@H+](CC)Cc1ccc(C#N)c(OC)c1 ZINC000233827450 376601651 /nfs/dbraw/zinc/60/16/51/376601651.db2.gz KGLSRAGPLFDPNH-CYBMUJFWSA-N 1 1 260.381 3.435 20 30 CGEDMO COc1cc(C[NH2+]Cc2ccc(F)cc2F)ccc1C#N ZINC000234927409 376625198 /nfs/dbraw/zinc/62/51/98/376625198.db2.gz NYAUJPZNPWNAGZ-UHFFFAOYSA-N 1 1 288.297 3.135 20 30 CGEDMO COc1cc(C[N@H+]2CC[C@@H](C(C)C)C2)ccc1C#N ZINC000234992843 376626611 /nfs/dbraw/zinc/62/66/11/376626611.db2.gz ZQMXKPOSESTADN-OAHLLOKOSA-N 1 1 258.365 3.045 20 30 CGEDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000235256588 376636573 /nfs/dbraw/zinc/63/65/73/376636573.db2.gz RCXDJZNIASELMM-CZUORRHYSA-N 1 1 290.382 3.213 20 30 CGEDMO N#Cc1cccc(CNc2[nH]c3ccc(F)cc3[nH+]2)c1 ZINC000236188755 376661689 /nfs/dbraw/zinc/66/16/89/376661689.db2.gz AWUBTFQUBCPPMY-UHFFFAOYSA-N 1 1 266.279 3.186 20 30 CGEDMO CCc1ncc(C[N@H+](C)Cc2ccc(C#N)cc2)s1 ZINC000264552836 190117777 /nfs/dbraw/zinc/11/77/77/190117777.db2.gz YZUJWCPPQFCZEX-UHFFFAOYSA-N 1 1 271.389 3.209 20 30 CGEDMO CCc1ncc(C[N@@H+](C)Cc2ccc(C#N)cc2)s1 ZINC000264552836 190117778 /nfs/dbraw/zinc/11/77/78/190117778.db2.gz YZUJWCPPQFCZEX-UHFFFAOYSA-N 1 1 271.389 3.209 20 30 CGEDMO CC1(C)C[N@@H+]([C@@H]2CC[C@H](C#N)C2)C[C@](C)(C(F)(F)F)O1 ZINC000339453302 376758426 /nfs/dbraw/zinc/75/84/26/376758426.db2.gz FBPWTOHJVARYJA-DMDPSCGWSA-N 1 1 290.329 3.110 20 30 CGEDMO CC1(C)C[N@H+]([C@@H]2CC[C@H](C#N)C2)C[C@](C)(C(F)(F)F)O1 ZINC000339453302 376758431 /nfs/dbraw/zinc/75/84/31/376758431.db2.gz FBPWTOHJVARYJA-DMDPSCGWSA-N 1 1 290.329 3.110 20 30 CGEDMO C=CCC[N@H+]1CCc2cc(OC)c(Cl)cc2C1 ZINC000339736310 376829646 /nfs/dbraw/zinc/82/96/46/376829646.db2.gz RMXDRNYBESIZFB-UHFFFAOYSA-N 1 1 251.757 3.283 20 30 CGEDMO CCOC1CC([N@@H+](C)CC#Cc2ccc(Cl)cc2)C1 ZINC000553951863 376848216 /nfs/dbraw/zinc/84/82/16/376848216.db2.gz QKVXIJUAIAPDIC-UHFFFAOYSA-N 1 1 277.795 3.191 20 30 CGEDMO C=CCOCC[N@H+]1C[C@H](C)C[C@H]1c1ccccc1F ZINC000555376878 376856360 /nfs/dbraw/zinc/85/63/60/376856360.db2.gz DMMGBCKOBIHQPF-CJNGLKHVSA-N 1 1 263.356 3.411 20 30 CGEDMO CC#CC[N@@H+](C)CCOc1ccc2ccccc2c1 ZINC000555751912 376859821 /nfs/dbraw/zinc/85/98/21/376859821.db2.gz QREWUSYLADQVBC-UHFFFAOYSA-N 1 1 253.345 3.174 20 30 CGEDMO CC[C@H]1CCCC[N@@H+]1CCN[C@H](C)c1cccc(C#N)c1 ZINC000245956100 376942888 /nfs/dbraw/zinc/94/28/88/376942888.db2.gz XJAHKBPCYQTGFE-QAPCUYQASA-N 1 1 285.435 3.473 20 30 CGEDMO CC[C@H]1CCCC[N@H+]1CCN[C@H](C)c1cccc(C#N)c1 ZINC000245956100 376942893 /nfs/dbraw/zinc/94/28/93/376942893.db2.gz XJAHKBPCYQTGFE-QAPCUYQASA-N 1 1 285.435 3.473 20 30 CGEDMO CC[C@@H]1CCCC[N@@H+]1CCN[C@H](C)c1ccc(C#N)cc1 ZINC000245962039 376944838 /nfs/dbraw/zinc/94/48/38/376944838.db2.gz YIMLPWAWXRSDGO-CRAIPNDOSA-N 1 1 285.435 3.473 20 30 CGEDMO CC[C@@H]1CCCC[N@H+]1CCN[C@H](C)c1ccc(C#N)cc1 ZINC000245962039 376944848 /nfs/dbraw/zinc/94/48/48/376944848.db2.gz YIMLPWAWXRSDGO-CRAIPNDOSA-N 1 1 285.435 3.473 20 30 CGEDMO CCC[N@@H+](CCCC#N)[C@H]1C[C@@H](OCC)C1(C)C ZINC000246913890 377116846 /nfs/dbraw/zinc/11/68/46/377116846.db2.gz HZMHNNWSWOSXFZ-UONOGXRCSA-N 1 1 252.402 3.206 20 30 CGEDMO CCS[C@H]1CCCC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000246625343 377064291 /nfs/dbraw/zinc/06/42/91/377064291.db2.gz UKZJYAOUQNNQLX-KGLIPLIRSA-N 1 1 265.426 3.038 20 30 CGEDMO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@@H+]1CCCC#N ZINC000247600648 377227987 /nfs/dbraw/zinc/22/79/87/377227987.db2.gz PDDDYNFHICRERS-FMKPAKJESA-N 1 1 258.365 3.141 20 30 CGEDMO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@H+]1CCCC#N ZINC000247600648 377227990 /nfs/dbraw/zinc/22/79/90/377227990.db2.gz PDDDYNFHICRERS-FMKPAKJESA-N 1 1 258.365 3.141 20 30 CGEDMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000562370462 377303677 /nfs/dbraw/zinc/30/36/77/377303677.db2.gz KVMSPAJNAJTFEZ-LBPRGKRZSA-N 1 1 269.323 3.285 20 30 CGEDMO Cc1ccc2nc(C[NH2+][C@H](C)c3cccc(C#N)c3)cn2c1 ZINC000341016498 377358756 /nfs/dbraw/zinc/35/87/56/377358756.db2.gz RVTHHDPTLHDSRE-CQSZACIVSA-N 1 1 290.370 3.365 20 30 CGEDMO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248919229 377429225 /nfs/dbraw/zinc/42/92/25/377429225.db2.gz WLHWAMKJPGBLSG-VVLHAWIVSA-N 1 1 289.467 3.311 20 30 CGEDMO Cc1ccccc1[C@@H]1C[N@H+]([C@H](C)CCC#N)CCO1 ZINC000563794427 377472024 /nfs/dbraw/zinc/47/20/24/377472024.db2.gz BNLKRHSEOJUQGZ-ZBFHGGJFSA-N 1 1 258.365 3.061 20 30 CGEDMO Cc1ccccc1[C@@H]1C[N@@H+]([C@H](C)CCC#N)CCO1 ZINC000563794427 377472034 /nfs/dbraw/zinc/47/20/34/377472034.db2.gz BNLKRHSEOJUQGZ-ZBFHGGJFSA-N 1 1 258.365 3.061 20 30 CGEDMO N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000249156850 377472526 /nfs/dbraw/zinc/47/25/26/377472526.db2.gz XDRZAEUUUQXAQX-QRVBRYPASA-N 1 1 297.446 3.180 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+]Cc1ccccc1N1CCCCC1 ZINC000565359028 377487554 /nfs/dbraw/zinc/48/75/54/377487554.db2.gz JKTPCZQBIFOUQN-MRXNPFEDSA-N 1 1 296.418 3.210 20 30 CGEDMO C[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)CC2(CCC2)O1 ZINC000566183962 377494489 /nfs/dbraw/zinc/49/44/89/377494489.db2.gz GDJJWMSCVGLPJB-HNNXBMFYSA-N 1 1 276.424 3.494 20 30 CGEDMO C[N@@H+](CCCNCc1cc(C#N)cs1)Cc1ccccc1 ZINC000093492193 249037284 /nfs/dbraw/zinc/03/72/84/249037284.db2.gz FZLLJIPXCDKNHG-UHFFFAOYSA-N 1 1 299.443 3.231 20 30 CGEDMO CN(CCC[NH2+]Cc1cc(C#N)cs1)Cc1ccccc1 ZINC000093492193 249037287 /nfs/dbraw/zinc/03/72/87/249037287.db2.gz FZLLJIPXCDKNHG-UHFFFAOYSA-N 1 1 299.443 3.231 20 30 CGEDMO N#Cc1ccc(CNC[C@@H]2CCC[N@H+]2C2CCCCC2)o1 ZINC000280652078 249069420 /nfs/dbraw/zinc/06/94/20/249069420.db2.gz OGSWPQBITOHOSU-HNNXBMFYSA-N 1 1 287.407 3.038 20 30 CGEDMO Cc1cn2cc(Nc3cc(C#N)ccc3[N+](=O)[O-])ccc2[nH+]1 ZINC000341429426 377562989 /nfs/dbraw/zinc/56/29/89/377562989.db2.gz HRYKXJPABBYSIA-UHFFFAOYSA-N 1 1 293.286 3.166 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCOc2cccc(C#N)c2)[C@H]1C ZINC000252107383 377615655 /nfs/dbraw/zinc/61/56/55/377615655.db2.gz HGCOIQWQRPWZFN-KGLIPLIRSA-N 1 1 258.365 3.057 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+]1Cc2ccccc2C[C@H]1CC ZINC000342353696 377642530 /nfs/dbraw/zinc/64/25/30/377642530.db2.gz DXAHSHNUIGZZLL-GOSISDBHSA-N 1 1 298.430 3.024 20 30 CGEDMO N#Cc1cc(Cl)ccc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252668699 377646978 /nfs/dbraw/zinc/64/69/78/377646978.db2.gz ZRUVQBCHGIGTFJ-KGLIPLIRSA-N 1 1 275.783 3.250 20 30 CGEDMO C=C(CC)C[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253096783 377675801 /nfs/dbraw/zinc/67/58/01/377675801.db2.gz QVHYERCIJDTTHD-BZUAXINKSA-N 1 1 251.414 3.358 20 30 CGEDMO C=CCC[N@H+](C)Cc1coc(-c2cccc(F)c2)n1 ZINC000342716364 377751817 /nfs/dbraw/zinc/75/18/17/377751817.db2.gz CTSGLXWTCCWAAD-UHFFFAOYSA-N 1 1 260.312 3.489 20 30 CGEDMO CCC[N@@H+](CC)C[C@H](C)Nc1ccc(F)cc1C#N ZINC000575171958 377757881 /nfs/dbraw/zinc/75/78/81/377757881.db2.gz QHNBTLHXSPKNAC-LBPRGKRZSA-N 1 1 263.360 3.230 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)c1nc(-c2cccs2)no1 ZINC000342726500 377758814 /nfs/dbraw/zinc/75/88/14/377758814.db2.gz FORBATIUQJMONN-SNVBAGLBSA-N 1 1 263.366 3.367 20 30 CGEDMO CC(C)([NH2+]CC1(C#N)CC1)c1ccc(F)c(F)c1 ZINC000343560303 378019028 /nfs/dbraw/zinc/01/90/28/378019028.db2.gz GSGKRKSVYJYSKG-UHFFFAOYSA-N 1 1 250.292 3.093 20 30 CGEDMO C=CCC[N@H+](C)Cc1cn(-c2ccccc2)nc1C ZINC000343452433 377983850 /nfs/dbraw/zinc/98/38/50/377983850.db2.gz ZKWPBGSGPLJWJL-UHFFFAOYSA-N 1 1 255.365 3.189 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC000343493445 377994787 /nfs/dbraw/zinc/99/47/87/377994787.db2.gz PFMIHXKDWRGTED-AWEZNQCLSA-N 1 1 277.412 3.258 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+](C)CC[C@@H]1CCCO1 ZINC000343500391 377996210 /nfs/dbraw/zinc/99/62/10/377996210.db2.gz WMZDRNXIZWPJHL-INIZCTEOSA-N 1 1 275.392 3.252 20 30 CGEDMO CC(C)([NH2+]CCC#N)c1cccc(C(F)(F)F)c1 ZINC000265195356 378001083 /nfs/dbraw/zinc/00/10/83/378001083.db2.gz FZHLIHJVMLNWNM-UHFFFAOYSA-N 1 1 256.271 3.444 20 30 CGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H]2c2ccccc2)cc1 ZINC000268569252 378075161 /nfs/dbraw/zinc/07/51/61/378075161.db2.gz AGHSTTAHGVOOOK-RTBURBONSA-N 1 1 292.382 3.429 20 30 CGEDMO CC(C)(C)C[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000579849390 378202229 /nfs/dbraw/zinc/20/22/29/378202229.db2.gz WJNPITCXTNAAAD-HNNXBMFYSA-N 1 1 257.381 3.354 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](C3CC3)C2)c1C ZINC000344063136 378156946 /nfs/dbraw/zinc/15/69/46/378156946.db2.gz ZMQGQFDUSHGQJW-MRXNPFEDSA-N 1 1 286.419 3.206 20 30 CGEDMO C=CCCCC[N@@H+]1CCn2c(Cc3ccccc3)nnc2C1 ZINC000583734044 378341839 /nfs/dbraw/zinc/34/18/39/378341839.db2.gz IZKASTJGTSLIFQ-UHFFFAOYSA-N 1 1 296.418 3.041 20 30 CGEDMO C=CCCCC[N@H+]1CCn2c(Cc3ccccc3)nnc2C1 ZINC000583734044 378341843 /nfs/dbraw/zinc/34/18/43/378341843.db2.gz IZKASTJGTSLIFQ-UHFFFAOYSA-N 1 1 296.418 3.041 20 30 CGEDMO CCC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C(C)C ZINC000584002831 378365257 /nfs/dbraw/zinc/36/52/57/378365257.db2.gz MMDLTMVKASRZRY-UHFFFAOYSA-N 1 1 287.407 3.054 20 30 CGEDMO C[N@@H+]1CC[C@]2(C1)CCCN(CCC1(C#N)CCCCC1)C2 ZINC000595505860 378402289 /nfs/dbraw/zinc/40/22/89/378402289.db2.gz ZLQAJFUNABLPFL-SFHVURJKSA-N 1 1 289.467 3.268 20 30 CGEDMO C[N@H+]1CC[C@]2(C1)CCCN(CCC1(C#N)CCCCC1)C2 ZINC000595505860 378402295 /nfs/dbraw/zinc/40/22/95/378402295.db2.gz ZLQAJFUNABLPFL-SFHVURJKSA-N 1 1 289.467 3.268 20 30 CGEDMO Cc1[nH+]ccn1CCN(CC(C)C)c1ccc(C#N)cc1 ZINC000346319427 217868373 /nfs/dbraw/zinc/86/83/73/217868373.db2.gz YBVGRYHNHUFQNC-UHFFFAOYSA-N 1 1 282.391 3.226 20 30 CGEDMO C#CCCC[N@H+]1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000271087069 378450689 /nfs/dbraw/zinc/45/06/89/378450689.db2.gz ZOUVWGWIWQNVII-BBRMVZONSA-N 1 1 261.340 3.001 20 30 CGEDMO COc1ccc(C[N@H+](C)C[C@@H](C)C#N)c2ccccc12 ZINC000271118298 378456197 /nfs/dbraw/zinc/45/61/97/378456197.db2.gz GMMRVNOZADOTQC-ZDUSSCGKSA-N 1 1 268.360 3.440 20 30 CGEDMO COc1ccc(C[N@@H+](C)C[C@@H](C)C#N)c2ccccc12 ZINC000271118298 378456203 /nfs/dbraw/zinc/45/62/03/378456203.db2.gz GMMRVNOZADOTQC-ZDUSSCGKSA-N 1 1 268.360 3.440 20 30 CGEDMO C#CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000270973372 378419806 /nfs/dbraw/zinc/41/98/06/378419806.db2.gz BDPSXICKXXOGPX-QGZVFWFLSA-N 1 1 299.418 3.076 20 30 CGEDMO C#CCCC[N@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000271051713 378438997 /nfs/dbraw/zinc/43/89/97/378438997.db2.gz QBNKOGOAYCMKRE-UHFFFAOYSA-N 1 1 263.406 3.262 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000638098169 378699366 /nfs/dbraw/zinc/69/93/66/378699366.db2.gz KAWMYLPLQFGYFP-CQSZACIVSA-N 1 1 262.401 3.324 20 30 CGEDMO C=CC[C@H](C)[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272878639 378716796 /nfs/dbraw/zinc/71/67/96/378716796.db2.gz XIPHUXRREXOHDZ-BQFCYCMXSA-N 1 1 272.436 3.451 20 30 CGEDMO C=CCOCCC[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000348031677 378759717 /nfs/dbraw/zinc/75/97/17/378759717.db2.gz KEEDYLTWHGHXEE-QZTJIDSGSA-N 1 1 284.403 3.351 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+](C)CC2CCC2)c1C ZINC000348200916 378835264 /nfs/dbraw/zinc/83/52/64/378835264.db2.gz UIJHOSJBUXEKKS-UHFFFAOYSA-N 1 1 274.408 3.206 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCCC2(CCC2)C1 ZINC000348169428 378820640 /nfs/dbraw/zinc/82/06/40/378820640.db2.gz PNCFBTSQGKUALQ-UHFFFAOYSA-N 1 1 258.340 3.463 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CCCC2(CCC2)C1 ZINC000348169428 378820644 /nfs/dbraw/zinc/82/06/44/378820644.db2.gz PNCFBTSQGKUALQ-UHFFFAOYSA-N 1 1 258.340 3.463 20 30 CGEDMO C=CC[N@H+](CCc1cnn(CC)c1)Cc1cccs1 ZINC000348277526 378881022 /nfs/dbraw/zinc/88/10/22/378881022.db2.gz RIPGCGGYLWEYNH-UHFFFAOYSA-N 1 1 275.421 3.195 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000274765669 378891101 /nfs/dbraw/zinc/89/11/01/378891101.db2.gz GBZWDANPQBEAFT-ACJLOTCBSA-N 1 1 265.422 3.383 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2c(C)cnn2C)CCCC1(C)C ZINC000348360842 378927728 /nfs/dbraw/zinc/92/77/28/378927728.db2.gz AZKSQEJXALPDMF-OAHLLOKOSA-N 1 1 261.413 3.295 20 30 CGEDMO CC(C)[N@@H+](Cc1cc(C#N)n(C)c1)Cc1ccccc1F ZINC000276709688 378984009 /nfs/dbraw/zinc/98/40/09/378984009.db2.gz CQVCYQUQJLIIGZ-UHFFFAOYSA-N 1 1 285.366 3.446 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCS[C@H](c3ccccc3)C2)o1 ZINC000371398241 379158235 /nfs/dbraw/zinc/15/82/35/379158235.db2.gz KKBPTFYPWFYPLQ-INIZCTEOSA-N 1 1 284.384 3.441 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCS[C@H](c3ccccc3)C2)o1 ZINC000371398241 379158244 /nfs/dbraw/zinc/15/82/44/379158244.db2.gz KKBPTFYPWFYPLQ-INIZCTEOSA-N 1 1 284.384 3.441 20 30 CGEDMO C=CC[C@H]1[N@@H+](CCc2cnn(C)c2)CCCC1(C)C ZINC000277628549 379203802 /nfs/dbraw/zinc/20/38/02/379203802.db2.gz AYTFHYBTHMYZAW-OAHLLOKOSA-N 1 1 261.413 3.029 20 30 CGEDMO COc1cc(C[N@@H+](Cc2cccnc2)C(C)C)ccc1C#N ZINC000349239553 379199893 /nfs/dbraw/zinc/19/98/93/379199893.db2.gz HWAWQFHLXWTZQE-UHFFFAOYSA-N 1 1 295.386 3.372 20 30 CGEDMO CC(C)[N@@H+](Cc1cc(C#N)cs1)Cc1cccnc1 ZINC000349286024 379215714 /nfs/dbraw/zinc/21/57/14/379215714.db2.gz SZQABANFPFMJRI-UHFFFAOYSA-N 1 1 271.389 3.425 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCN(C(=O)CCC)CC1 ZINC000373271180 379252479 /nfs/dbraw/zinc/25/24/79/379252479.db2.gz CQLJZISSOOXIFF-UHFFFAOYSA-N 1 1 266.429 3.067 20 30 CGEDMO COC(=O)c1coc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)c1 ZINC000278229086 379324107 /nfs/dbraw/zinc/32/41/07/379324107.db2.gz KEIFXJPKSSCAKF-NEPJUHHUSA-N 1 1 298.342 3.350 20 30 CGEDMO C=C(C)C[N@@H+](CC[C@H]1CCOC1=O)Cc1ccccc1 ZINC000279232860 379417022 /nfs/dbraw/zinc/41/70/22/379417022.db2.gz DZOZEQYDZYKVQX-INIZCTEOSA-N 1 1 273.376 3.018 20 30 CGEDMO N#CCCCC[N@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000374815107 379478383 /nfs/dbraw/zinc/47/83/83/379478383.db2.gz NSLVIMKWJVICHU-HNNXBMFYSA-N 1 1 264.319 3.390 20 30 CGEDMO N#CCCCC[N@@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000374815107 379478391 /nfs/dbraw/zinc/47/83/91/379478391.db2.gz NSLVIMKWJVICHU-HNNXBMFYSA-N 1 1 264.319 3.390 20 30 CGEDMO N#CCCCC[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000375293300 379491384 /nfs/dbraw/zinc/49/13/84/379491384.db2.gz RCNODKUZSAZKTA-UHFFFAOYSA-N 1 1 293.361 3.171 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000375347615 379493701 /nfs/dbraw/zinc/49/37/01/379493701.db2.gz DXFARRQMBFSBGC-LSDHHAIUSA-N 1 1 264.413 3.350 20 30 CGEDMO CC(C)(C#N)CCCC[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000375406953 379495656 /nfs/dbraw/zinc/49/56/56/379495656.db2.gz VFSGKSRJKLGKCB-OAHLLOKOSA-N 1 1 276.380 3.373 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000375406953 379495667 /nfs/dbraw/zinc/49/56/67/379495667.db2.gz VFSGKSRJKLGKCB-OAHLLOKOSA-N 1 1 276.380 3.373 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)C[C@@H](C)c2ccccc2)n1 ZINC000279727043 379501964 /nfs/dbraw/zinc/50/19/64/379501964.db2.gz MTBJQQGFRRHRLH-MRXNPFEDSA-N 1 1 281.403 3.142 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCN(C(=O)C(C)(C)C)CC1 ZINC000375724427 379506947 /nfs/dbraw/zinc/50/69/47/379506947.db2.gz LCVHWENZYJNAOY-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CC[N@H+](C[C@H](C)CC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000350986745 379620595 /nfs/dbraw/zinc/62/05/95/379620595.db2.gz GCRBWLJCOCUBEK-CABCVRRESA-N 1 1 299.422 3.257 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@@H](C)CCC#N)cc1OC(F)F ZINC000351610096 379728782 /nfs/dbraw/zinc/72/87/82/379728782.db2.gz UXSANXZOFRPIGO-NSHDSACASA-N 1 1 298.333 3.421 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC000351828972 379745914 /nfs/dbraw/zinc/74/59/14/379745914.db2.gz KLNIQCKPEDNYOX-SFHVURJKSA-N 1 1 298.430 3.333 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)s1 ZINC000377836195 379748976 /nfs/dbraw/zinc/74/89/76/379748976.db2.gz ZPHYWYFJVBUQGJ-KGLIPLIRSA-N 1 1 290.432 3.258 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2cnc(C)nc2)CCCC1(C)C ZINC000352409181 379801915 /nfs/dbraw/zinc/80/19/15/379801915.db2.gz YBLIZFUUKRKRAR-OAHLLOKOSA-N 1 1 259.397 3.352 20 30 CGEDMO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc[nH+]cc1Cl ZINC000280754738 379780499 /nfs/dbraw/zinc/78/04/99/379780499.db2.gz MRSRYRRGLFPESW-MFKMUULPSA-N 1 1 252.745 3.128 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)cc1 ZINC000352377869 379786648 /nfs/dbraw/zinc/78/66/48/379786648.db2.gz ZMPXDSCBURJHFJ-IAGOWNOFSA-N 1 1 273.376 3.005 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)cc1 ZINC000352377869 379786654 /nfs/dbraw/zinc/78/66/54/379786654.db2.gz ZMPXDSCBURJHFJ-IAGOWNOFSA-N 1 1 273.376 3.005 20 30 CGEDMO C=CCC[C@@H]([NH2+]Cc1ncnn1CCF)c1ccccc1 ZINC000281618573 379841600 /nfs/dbraw/zinc/84/16/00/379841600.db2.gz JWLNYYPELPTJEY-OAHLLOKOSA-N 1 1 288.370 3.045 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(Br)s1 ZINC000381557937 379869248 /nfs/dbraw/zinc/86/92/48/379869248.db2.gz PJVMSSLNZFQXBH-VIFPVBQESA-N 1 1 298.209 3.044 20 30 CGEDMO C=C(C)CCn1cc(C[N@H+](C)C2CCCCC2)nn1 ZINC000641069030 379924183 /nfs/dbraw/zinc/92/41/83/379924183.db2.gz BTRGRBJAVUJOGR-UHFFFAOYSA-N 1 1 262.401 3.009 20 30 CGEDMO N#Cc1csc(C[NH2+][C@H](c2ccccc2)C2CC2)n1 ZINC000352823439 379982887 /nfs/dbraw/zinc/98/28/87/379982887.db2.gz NEPRFDWZXUSHCG-OAHLLOKOSA-N 1 1 269.373 3.256 20 30 CGEDMO C=C(C)C[N@H+](CCCF)Cc1cnn(C(C)C)c1 ZINC000352915535 380035960 /nfs/dbraw/zinc/03/59/60/380035960.db2.gz PTUXSRZXRVSWBY-UHFFFAOYSA-N 1 1 253.365 3.202 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cnc2cccc(C)n12 ZINC000352935313 380047827 /nfs/dbraw/zinc/04/78/27/380047827.db2.gz YLZNQTFDRQHKRT-UHFFFAOYSA-N 1 1 295.386 3.466 20 30 CGEDMO C[C@@H](O)C[C@H]1CCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411398089 380142928 /nfs/dbraw/zinc/14/29/28/380142928.db2.gz APFGRQCQPSGCBW-HUUCEWRRSA-N 1 1 264.413 3.086 20 30 CGEDMO N#CC1(CC[N@H+]2CC[C@H]([C@H]3CCOC3)C2)CCCCC1 ZINC000411397020 380143041 /nfs/dbraw/zinc/14/30/41/380143041.db2.gz LDVHCOXNBRGLKI-HOTGVXAUSA-N 1 1 276.424 3.209 20 30 CGEDMO N#CC1(CC[N@H+](CCO)C2CCCCC2)CCCCC1 ZINC000411402501 380144705 /nfs/dbraw/zinc/14/47/05/380144705.db2.gz SXZHDNQERVYUSY-UHFFFAOYSA-N 1 1 278.440 3.478 20 30 CGEDMO C[N@@H+](CCC1(C#N)CCCCC1)[C@H]1CCSC1 ZINC000411408617 380145096 /nfs/dbraw/zinc/14/50/96/380145096.db2.gz QFKIMJDPBVWWRO-ZDUSSCGKSA-N 1 1 252.427 3.288 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268151820 190380995 /nfs/dbraw/zinc/38/09/95/190380995.db2.gz KZZDTBMNLWEFLV-GOSISDBHSA-N 1 1 298.430 3.146 20 30 CGEDMO C=CCOc1cccc(CN[C@H](C)C[N@@H+](C)C(C)C)c1 ZINC000353099914 380114940 /nfs/dbraw/zinc/11/49/40/380114940.db2.gz YJEIUBNNZSBRKY-OAHLLOKOSA-N 1 1 276.424 3.070 20 30 CGEDMO C=CCOc1cccc(C[NH2+][C@H](C)CN(C)C(C)C)c1 ZINC000353099914 380114950 /nfs/dbraw/zinc/11/49/50/380114950.db2.gz YJEIUBNNZSBRKY-OAHLLOKOSA-N 1 1 276.424 3.070 20 30 CGEDMO N#CC1(CC[N@H+]2CCOCC3(CCC3)C2)CCCCC1 ZINC000411523005 380148643 /nfs/dbraw/zinc/14/86/43/380148643.db2.gz CUHIVJWPCDQFOD-UHFFFAOYSA-N 1 1 276.424 3.353 20 30 CGEDMO C[C@H](c1cnn(C)c1)[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000411495402 380149789 /nfs/dbraw/zinc/14/97/89/380149789.db2.gz KVXAHJZHJZGHJS-CQSZACIVSA-N 1 1 274.412 3.277 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)N1CCCCC1 ZINC000411130890 380130259 /nfs/dbraw/zinc/13/02/59/380130259.db2.gz IUSJWHZSTUNIGK-INIZCTEOSA-N 1 1 286.419 3.076 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)N1CCCCC1 ZINC000411130890 380130262 /nfs/dbraw/zinc/13/02/62/380130262.db2.gz IUSJWHZSTUNIGK-INIZCTEOSA-N 1 1 286.419 3.076 20 30 CGEDMO C=CC[NH+](CC=C)[C@@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000411165806 380132038 /nfs/dbraw/zinc/13/20/38/380132038.db2.gz QPWUFULHUGWZMO-CVEARBPZSA-N 1 1 286.419 3.235 20 30 CGEDMO N#CC1(CC[N@H+]2CCO[C@@H]3CCC[C@H]32)CCCCC1 ZINC000411189606 380134155 /nfs/dbraw/zinc/13/41/55/380134155.db2.gz MUBLKGYBJJIUMB-HUUCEWRRSA-N 1 1 262.397 3.104 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)C[C@@](C)(O)C(F)(F)F ZINC000411197735 380134451 /nfs/dbraw/zinc/13/44/51/380134451.db2.gz WJWASVGNTLMHOX-CQSZACIVSA-N 1 1 287.325 3.030 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)[C@@H](C)c1nc(C)cc(=O)[nH]1 ZINC000411187932 380134679 /nfs/dbraw/zinc/13/46/79/380134679.db2.gz BRUWJLIEXITGOJ-HNNXBMFYSA-N 1 1 297.402 3.282 20 30 CGEDMO C[C@H](CN[C@H]1CCc2ccc(C#N)cc21)[NH+]1CCC(C)CC1 ZINC000353385943 380204570 /nfs/dbraw/zinc/20/45/70/380204570.db2.gz MZCAOOOPQNLDOJ-BEFAXECRSA-N 1 1 297.446 3.256 20 30 CGEDMO CC(C)C[N@H+]1CC[C@@H](CNc2snc(Cl)c2C#N)C1 ZINC000268211581 190386914 /nfs/dbraw/zinc/38/69/14/190386914.db2.gz IJMBRJQMQVBNNK-JTQLQIEISA-N 1 1 298.843 3.058 20 30 CGEDMO CC[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000412035098 380159687 /nfs/dbraw/zinc/15/96/87/380159687.db2.gz KQBNPVWHBUQFOX-UHFFFAOYSA-N 1 1 287.363 3.477 20 30 CGEDMO CC[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000412035098 380159696 /nfs/dbraw/zinc/15/96/96/380159696.db2.gz KQBNPVWHBUQFOX-UHFFFAOYSA-N 1 1 287.363 3.477 20 30 CGEDMO C=CCc1cc(C[N@@H+]2CC=C(C)CC2)cc(OC)c1O ZINC000353908661 380227228 /nfs/dbraw/zinc/22/72/28/380227228.db2.gz CNKZAUDTQYLJQA-UHFFFAOYSA-N 1 1 273.376 3.281 20 30 CGEDMO C=CCc1cc(C[N@H+]2CC[C@H](C3CC3)C2)cc(OC)c1O ZINC000354105974 380326302 /nfs/dbraw/zinc/32/63/02/380326302.db2.gz GGYFECCVYIEAJZ-INIZCTEOSA-N 1 1 287.403 3.361 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C[C@@H]1C[C@H]1c1ccccc1)C1CC1 ZINC000354034523 380290862 /nfs/dbraw/zinc/29/08/62/380290862.db2.gz ROOVGNCXWNWPEV-KMFMINBZSA-N 1 1 254.377 3.414 20 30 CGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](C)C(C)(C)C1 ZINC000354043070 380297026 /nfs/dbraw/zinc/29/70/26/380297026.db2.gz UTXPIMQKBFULCC-UONOGXRCSA-N 1 1 299.418 3.253 20 30 CGEDMO C=CCCC1(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000354559714 380485343 /nfs/dbraw/zinc/48/53/43/380485343.db2.gz BIPBEARJOGFVDC-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCSC[C@H]2C2CCC2)c1 ZINC000418124535 380706239 /nfs/dbraw/zinc/70/62/39/380706239.db2.gz HPFWJHUSNLEXEB-AWEZNQCLSA-N 1 1 278.446 3.337 20 30 CGEDMO N#C[C@H]1CC[C@H]([N@H+]2CCC[C@@H](Oc3ccccc3)C2)C1 ZINC000419315986 380802275 /nfs/dbraw/zinc/80/22/75/380802275.db2.gz PJQXOBFQGCZPJT-YQQAZPJKSA-N 1 1 270.376 3.222 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](O)[C@H]1CCc1ccccc1 ZINC000646072010 380821955 /nfs/dbraw/zinc/82/19/55/380821955.db2.gz NOCKHFDMMUTDKA-SJORKVTESA-N 1 1 259.393 3.021 20 30 CGEDMO N#CCSCCC[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000420950078 380863602 /nfs/dbraw/zinc/86/36/02/380863602.db2.gz PMKGLUUXWISCNR-LLVKDONJSA-N 1 1 280.359 3.298 20 30 CGEDMO OCC[C@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)CC1 ZINC000421014084 380868032 /nfs/dbraw/zinc/86/80/32/380868032.db2.gz JZNIKBMOWRFUGD-HNNXBMFYSA-N 1 1 291.822 3.176 20 30 CGEDMO C=C(CC)C[N@H+](C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000358493510 381312127 /nfs/dbraw/zinc/31/21/27/381312127.db2.gz DEKLOPGILOVZMM-ZDUSSCGKSA-N 1 1 281.421 3.049 20 30 CGEDMO C=C(CC)C[N@@H+](C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000358493510 381312131 /nfs/dbraw/zinc/31/21/31/381312131.db2.gz DEKLOPGILOVZMM-ZDUSSCGKSA-N 1 1 281.421 3.049 20 30 CGEDMO C[C@H](CN1CCCCC1)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000358570637 381315946 /nfs/dbraw/zinc/31/59/46/381315946.db2.gz NLFAAKKWABSNAY-ZIAGYGMSSA-N 1 1 289.398 3.222 20 30 CGEDMO C[C@@H]1COc2ccccc2C[N@H+]1Cc1ccc(C#N)cc1 ZINC000359863998 381376576 /nfs/dbraw/zinc/37/65/76/381376576.db2.gz YYFACQKKVONYTP-CQSZACIVSA-N 1 1 278.355 3.341 20 30 CGEDMO N#Cc1ccccc1OCC[N@@H+](CC1CC1)C1CCC1 ZINC000361588139 381820885 /nfs/dbraw/zinc/82/08/85/381820885.db2.gz XUNZXCYMODHORZ-UHFFFAOYSA-N 1 1 270.376 3.202 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+]1C[C@@H](N2CCCC2)[C@@H](SC)C1 ZINC000362015918 381880756 /nfs/dbraw/zinc/88/07/56/381880756.db2.gz OZUJPKWKOUTDDN-XHSDSOJGSA-N 1 1 282.497 3.243 20 30 CGEDMO C=CCCC[C@H](C)N1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000362015918 381880762 /nfs/dbraw/zinc/88/07/62/381880762.db2.gz OZUJPKWKOUTDDN-XHSDSOJGSA-N 1 1 282.497 3.243 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H]1c1ccccc1 ZINC000362189996 381905187 /nfs/dbraw/zinc/90/51/87/381905187.db2.gz NIWQRZUWIPSKPI-DOTOQJQBSA-N 1 1 286.419 3.247 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](CCOc2cccc(C#N)c2)CCS1 ZINC000362384687 381966349 /nfs/dbraw/zinc/96/63/49/381966349.db2.gz JSGOSQOXQZMTAG-INIZCTEOSA-N 1 1 290.432 3.010 20 30 CGEDMO N#Cc1cc(C[N@@H+](CCO)CC2CCCCC2)ccc1F ZINC000362592540 382070551 /nfs/dbraw/zinc/07/05/51/382070551.db2.gz UDMIFOLUJMSDDC-UHFFFAOYSA-N 1 1 290.382 3.072 20 30 CGEDMO N#Cc1ccncc1N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000363531997 382230006 /nfs/dbraw/zinc/23/00/06/382230006.db2.gz DEECPTOMJLIWOL-KRWDZBQOSA-N 1 1 292.386 3.030 20 30 CGEDMO N#Cc1ccc(C2=CC[N@H+](C/C=C/Cl)CC2)cc1 ZINC000367209950 382339241 /nfs/dbraw/zinc/33/92/41/382339241.db2.gz XVOISIGMBBLJEX-UNXLUWIOSA-N 1 1 258.752 3.400 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](C/C=C/Cl)CC2)cc1 ZINC000367209950 382339248 /nfs/dbraw/zinc/33/92/48/382339248.db2.gz XVOISIGMBBLJEX-UNXLUWIOSA-N 1 1 258.752 3.400 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](c2noc(C)n2)C1 ZINC000365850035 382295981 /nfs/dbraw/zinc/29/59/81/382295981.db2.gz QVBHZJNSRZHAMA-AWEZNQCLSA-N 1 1 263.385 3.304 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000368490197 382374940 /nfs/dbraw/zinc/37/49/40/382374940.db2.gz LLWWVUFGXOFLLZ-UHFFFAOYSA-N 1 1 290.313 3.463 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000368490197 382374947 /nfs/dbraw/zinc/37/49/47/382374947.db2.gz LLWWVUFGXOFLLZ-UHFFFAOYSA-N 1 1 290.313 3.463 20 30 CGEDMO C[N@H+]1CCCC12CCN(c1c(Cl)cccc1C#N)CC2 ZINC000368880649 382383968 /nfs/dbraw/zinc/38/39/68/382383968.db2.gz ACAXDQGKCMIOSQ-UHFFFAOYSA-N 1 1 289.810 3.276 20 30 CGEDMO N#Cc1csc(C[NH2+][C@H]2CCc3c2cccc3Cl)n1 ZINC000335308010 208157496 /nfs/dbraw/zinc/15/74/96/208157496.db2.gz YNGLZXVXRQBLAF-ZDUSSCGKSA-N 1 1 289.791 3.445 20 30 CGEDMO CC[C@@H]1C[N@H+]([C@@H](C)c2cccc(C#N)c2)CCCO1 ZINC000281455670 195246556 /nfs/dbraw/zinc/24/65/56/195246556.db2.gz QVLWVKFIYFCBER-XJKSGUPXSA-N 1 1 258.365 3.120 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000336806192 262395443 /nfs/dbraw/zinc/39/54/43/262395443.db2.gz KOEQRUSGUWZZAP-HUUCEWRRSA-N 1 1 264.413 3.207 20 30 CGEDMO CCc1ccc[nH+]c1NCc1ccc(C#N)c(OC)c1 ZINC000281595229 195302161 /nfs/dbraw/zinc/30/21/61/195302161.db2.gz FJAWUWXTMOACKQ-UHFFFAOYSA-N 1 1 267.332 3.136 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2cccc(F)c2)cc1 ZINC000281607492 195307169 /nfs/dbraw/zinc/30/71/69/195307169.db2.gz GRMBDDXTKQMJFF-MSOLQXFVSA-N 1 1 296.345 3.005 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)cc1C#N ZINC000191376098 130228395 /nfs/dbraw/zinc/22/83/95/130228395.db2.gz XTEBYPHOJASZMW-GDBMZVCRSA-N 1 1 257.381 3.051 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+](Cc1ccccn1)C1CC1 ZINC000192144120 130381732 /nfs/dbraw/zinc/38/17/32/130381732.db2.gz ZVJBHVKQKYMXAH-UHFFFAOYSA-N 1 1 262.356 3.098 20 30 CGEDMO C(#Cc1ccccc1)C[N@@H+](Cc1ccccn1)C1CC1 ZINC000192144120 130381736 /nfs/dbraw/zinc/38/17/36/130381736.db2.gz ZVJBHVKQKYMXAH-UHFFFAOYSA-N 1 1 262.356 3.098 20 30 CGEDMO C[C@H](NCC#Cc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000192178622 130388942 /nfs/dbraw/zinc/38/89/42/130388942.db2.gz XOHCWJIHICVNNA-HKUYNNGSSA-N 1 1 296.458 3.281 20 30 CGEDMO CCC[N@@H+](CCCOc1cccc(C#N)c1)CC1CC1 ZINC000048993403 392029583 /nfs/dbraw/zinc/02/95/83/392029583.db2.gz BBVSSXMWIGJGKC-UHFFFAOYSA-N 1 1 272.392 3.449 20 30 CGEDMO CC(=O)Nc1ccc(C[N@H+](CCC#N)CC(C)(C)C)cc1 ZINC000093101169 392234384 /nfs/dbraw/zinc/23/43/84/392234384.db2.gz IRLQQYZVUHGKSU-UHFFFAOYSA-N 1 1 287.407 3.407 20 30 CGEDMO CC(=O)Nc1ccc(C[N@@H+](CCC#N)CC(C)(C)C)cc1 ZINC000093101169 392234388 /nfs/dbraw/zinc/23/43/88/392234388.db2.gz IRLQQYZVUHGKSU-UHFFFAOYSA-N 1 1 287.407 3.407 20 30 CGEDMO COc1ccnc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000106933843 392313668 /nfs/dbraw/zinc/31/36/68/392313668.db2.gz DUNAAOCMWRETOQ-UHFFFAOYSA-N 1 1 295.386 3.372 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C)cc1 ZINC000282178862 392284799 /nfs/dbraw/zinc/28/47/99/392284799.db2.gz FNDDVLUSZYUAIA-CRAIPNDOSA-N 1 1 287.403 3.088 20 30 CGEDMO C=CCCC(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000285888790 392345006 /nfs/dbraw/zinc/34/50/06/392345006.db2.gz BVBRGDQXNIUDLC-INIZCTEOSA-N 1 1 298.386 3.193 20 30 CGEDMO Cc1cccc(C[N@H+](C)Cc2ccc(C#N)c(F)c2)n1 ZINC000361866716 392349156 /nfs/dbraw/zinc/34/91/56/392349156.db2.gz WREOCBITBGDNHJ-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO Cc1cccc(C[N@@H+](C)Cc2ccc(C#N)c(F)c2)n1 ZINC000361866716 392349159 /nfs/dbraw/zinc/34/91/59/392349159.db2.gz WREOCBITBGDNHJ-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@H](C)c1ccc(OC)cc1 ZINC000245999406 131090821 /nfs/dbraw/zinc/09/08/21/131090821.db2.gz IFMKZZZSXBDAJA-HIFRSBDPSA-N 1 1 263.381 3.015 20 30 CGEDMO C=CC[N@H+](CCCCCOC)Cc1cccc(C#N)c1 ZINC000112534535 392382052 /nfs/dbraw/zinc/38/20/52/392382052.db2.gz IAUCEVSIPYNQSA-UHFFFAOYSA-N 1 1 272.392 3.363 20 30 CGEDMO C#Cc1ccc(C[N@@H+](CCCOC)Cc2ccncc2)cc1 ZINC000289490070 392422188 /nfs/dbraw/zinc/42/21/88/392422188.db2.gz ROBWLLDXPKSHHS-UHFFFAOYSA-N 1 1 294.398 3.102 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+](CC)Cc1ccncc1 ZINC000289717863 392429748 /nfs/dbraw/zinc/42/97/48/392429748.db2.gz HAEGFOZFHDNJLC-UHFFFAOYSA-N 1 1 280.371 3.116 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000289868732 392435050 /nfs/dbraw/zinc/43/50/50/392435050.db2.gz RCJHNSCHKKZICW-GOSISDBHSA-N 1 1 292.382 3.431 20 30 CGEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2cccnc2C#N)C1 ZINC000290522308 392449455 /nfs/dbraw/zinc/44/94/55/392449455.db2.gz GMSKWKUZXXKZRF-JKSUJKDBSA-N 1 1 298.434 3.044 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000121116125 392409204 /nfs/dbraw/zinc/40/92/04/392409204.db2.gz PPEXTAUJSVIYRJ-UHFFFAOYSA-N 1 1 291.782 3.048 20 30 CGEDMO Cc1cc[nH+]c(N[C@@H](C)c2ccc(OCC#N)cc2)c1 ZINC000178050594 392670522 /nfs/dbraw/zinc/67/05/22/392670522.db2.gz HLTHUYBSKNNKBF-ZDUSSCGKSA-N 1 1 267.332 3.466 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000374258882 392672517 /nfs/dbraw/zinc/67/25/17/392672517.db2.gz MZTZDGSASZDJBF-MRXNPFEDSA-N 1 1 272.392 3.470 20 30 CGEDMO Clc1cccc(C#CC[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000374412307 392678034 /nfs/dbraw/zinc/67/80/34/392678034.db2.gz RIKRKLZEYIKWBD-CVEARBPZSA-N 1 1 289.806 3.050 20 30 CGEDMO C=CCC[N@H+](Cc1cccc(OC)c1)C1CCC(O)CC1 ZINC000304266440 392628689 /nfs/dbraw/zinc/62/86/89/392628689.db2.gz HCUPUDQHOJBGMO-UHFFFAOYSA-N 1 1 289.419 3.377 20 30 CGEDMO C[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1O)c1ccc(C#N)cc1F ZINC000305825580 392635622 /nfs/dbraw/zinc/63/56/22/392635622.db2.gz QWCGMUCRPOWJFC-PDSMFRHLSA-N 1 1 296.345 3.006 20 30 CGEDMO COCC[N@@H+](CCCC(C)(C)C#N)Cc1ccco1 ZINC000174818608 392645922 /nfs/dbraw/zinc/64/59/22/392645922.db2.gz NPJMXWHPWWECII-UHFFFAOYSA-N 1 1 264.369 3.058 20 30 CGEDMO C=C[C@H](C)[NH2+][C@H](C)c1ncc(Br)cc1F ZINC000308982613 392656485 /nfs/dbraw/zinc/65/64/85/392656485.db2.gz ISFCARIBYLRCGN-JGVFFNPUSA-N 1 1 273.149 3.208 20 30 CGEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC2(CCCC2)C1 ZINC000177162863 392659084 /nfs/dbraw/zinc/65/90/84/392659084.db2.gz OGQFPTJSNDURLV-MRXNPFEDSA-N 1 1 298.386 3.038 20 30 CGEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC2(CCCC2)C1 ZINC000177162863 392659091 /nfs/dbraw/zinc/65/90/91/392659091.db2.gz OGQFPTJSNDURLV-MRXNPFEDSA-N 1 1 298.386 3.038 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](O)COc1ccccc1C(C)C ZINC000181245081 392724013 /nfs/dbraw/zinc/72/40/13/392724013.db2.gz SYPGJVVXKBYJOD-HNNXBMFYSA-N 1 1 277.408 3.058 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000334408474 392725878 /nfs/dbraw/zinc/72/58/78/392725878.db2.gz JCJWAJJRSAEHNX-RHSMWYFYSA-N 1 1 280.375 3.153 20 30 CGEDMO C=CC[NH+]1CCC(N[C@@H](C)c2cccc(F)c2F)CC1 ZINC000183260371 392753867 /nfs/dbraw/zinc/75/38/67/392753867.db2.gz BUWMTINEOCEKGI-LBPRGKRZSA-N 1 1 280.362 3.266 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cc(OC)ccc1OC(F)F ZINC000181047935 392717669 /nfs/dbraw/zinc/71/76/69/392717669.db2.gz WIGHMJXJGBNHPG-UHFFFAOYSA-N 1 1 271.307 3.305 20 30 CGEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000181245279 392723326 /nfs/dbraw/zinc/72/33/26/392723326.db2.gz GMPPGAHJONFISZ-UHFFFAOYSA-N 1 1 296.798 3.103 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000181245279 392723330 /nfs/dbraw/zinc/72/33/30/392723330.db2.gz GMPPGAHJONFISZ-UHFFFAOYSA-N 1 1 296.798 3.103 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000186310402 392782733 /nfs/dbraw/zinc/78/27/33/392782733.db2.gz KFLFLDQSASHALO-QGZVFWFLSA-N 1 1 294.402 3.110 20 30 CGEDMO C=Cn1cc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cn1 ZINC000375720422 392811359 /nfs/dbraw/zinc/81/13/59/392811359.db2.gz RLZIFUSUMPBXLL-UHFFFAOYSA-N 1 1 290.370 3.145 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000338197377 392901440 /nfs/dbraw/zinc/90/14/40/392901440.db2.gz SKIPKILHBAPKNZ-JONQDZQNSA-N 1 1 251.414 3.214 20 30 CGEDMO C=CC[N@H+](CCc1ccncc1)Cc1ccccc1F ZINC000194219790 392907162 /nfs/dbraw/zinc/90/71/62/392907162.db2.gz DZWZZBLIBGNOGF-UHFFFAOYSA-N 1 1 270.351 3.451 20 30 CGEDMO C=CCOCCSCC[N@H+](C)Cc1ccccc1 ZINC000338567228 392921039 /nfs/dbraw/zinc/92/10/39/392921039.db2.gz WHPQZCMZJYBTNE-UHFFFAOYSA-N 1 1 265.422 3.054 20 30 CGEDMO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459371552 392942431 /nfs/dbraw/zinc/94/24/31/392942431.db2.gz YJGZSRGRGIMSEI-NWDGAFQWSA-N 1 1 273.336 3.087 20 30 CGEDMO C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459371552 392942435 /nfs/dbraw/zinc/94/24/35/392942435.db2.gz YJGZSRGRGIMSEI-NWDGAFQWSA-N 1 1 273.336 3.087 20 30 CGEDMO N#CCCOCC[N@H+]1CCCC[C@@H]1CCc1ccccc1 ZINC000339057917 392943658 /nfs/dbraw/zinc/94/36/58/392943658.db2.gz IJHDRMIJDKMHQZ-GOSISDBHSA-N 1 1 286.419 3.404 20 30 CGEDMO CC(C)[N@H+](CCC#N)CCCCOc1ccccc1 ZINC000525865530 392949172 /nfs/dbraw/zinc/94/91/72/392949172.db2.gz LZCOUKZUYSPBNK-UHFFFAOYSA-N 1 1 260.381 3.470 20 30 CGEDMO N#CC1(CC[N@@H+]2CCCCC[C@@H]2CCO)CCCCC1 ZINC000411700872 392986631 /nfs/dbraw/zinc/98/66/31/392986631.db2.gz OHKZDIZEVMGUGD-MRXNPFEDSA-N 1 1 278.440 3.478 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000411790104 392988722 /nfs/dbraw/zinc/98/87/22/392988722.db2.gz GIRKTSBNWHLPRK-DZGCQCFKSA-N 1 1 287.363 3.466 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@@H](C)CCC#N)cc1Cl ZINC000412038954 392995033 /nfs/dbraw/zinc/99/50/33/392995033.db2.gz JUIKUURKVXTVIU-NSHDSACASA-N 1 1 266.772 3.473 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000342836074 393010596 /nfs/dbraw/zinc/01/05/96/393010596.db2.gz GATMSBLXIORBLE-GOSISDBHSA-N 1 1 287.403 3.254 20 30 CGEDMO C[C@@H]1SCC[N@H+](CC2(C#N)CC2)[C@@H]1c1ccccc1 ZINC000343315905 393024035 /nfs/dbraw/zinc/02/40/35/393024035.db2.gz RUUZGXPXOYCKDP-ZFWWWQNUSA-N 1 1 272.417 3.469 20 30 CGEDMO C[C@@H]1SCC[N@@H+](CC2(C#N)CC2)[C@@H]1c1ccccc1 ZINC000343315905 393024042 /nfs/dbraw/zinc/02/40/42/393024042.db2.gz RUUZGXPXOYCKDP-ZFWWWQNUSA-N 1 1 272.417 3.469 20 30 CGEDMO C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1CC1(C#N)CC1 ZINC000343312984 393024665 /nfs/dbraw/zinc/02/46/65/393024665.db2.gz FSLDULMLHCNTIJ-HOCLYGCPSA-N 1 1 254.377 3.243 20 30 CGEDMO CC(C)C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000466676086 393046468 /nfs/dbraw/zinc/04/64/68/393046468.db2.gz DQZDUULZHUVNNO-KRWDZBQOSA-N 1 1 299.418 3.397 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ccc(C)nc1 ZINC000348643291 393127054 /nfs/dbraw/zinc/12/70/54/393127054.db2.gz LRUUTDBDPRONLV-UHFFFAOYSA-N 1 1 286.375 3.054 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccc(C)nc1 ZINC000348643291 393127063 /nfs/dbraw/zinc/12/70/63/393127063.db2.gz LRUUTDBDPRONLV-UHFFFAOYSA-N 1 1 286.375 3.054 20 30 CGEDMO N#CC1(F)CC[NH+](Cc2ccccc2OCC2CC2)CC1 ZINC000348714390 393128859 /nfs/dbraw/zinc/12/88/59/393128859.db2.gz YQCBMUFRZBURLQ-UHFFFAOYSA-N 1 1 288.366 3.303 20 30 CGEDMO N#CC1(F)CC[NH+](Cc2ccc(OCC3CC3)cc2)CC1 ZINC000348717768 393129091 /nfs/dbraw/zinc/12/90/91/393129091.db2.gz VHAGLMDZIWBZAM-UHFFFAOYSA-N 1 1 288.366 3.303 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCC[C@@H]2C2CCOCC2)cc1 ZINC000348951994 393136739 /nfs/dbraw/zinc/13/67/39/393136739.db2.gz UNADNKCFDZVWIJ-GOSISDBHSA-N 1 1 287.378 3.068 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@]2(C)CCCO)c1 ZINC000349186386 393140813 /nfs/dbraw/zinc/14/08/13/393140813.db2.gz JEBTYCAMVFEKQP-GOSISDBHSA-N 1 1 289.419 3.378 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](CCOC)[C@H](C)c1ccccc1 ZINC000268532191 393201450 /nfs/dbraw/zinc/20/14/50/393201450.db2.gz IVCUJUCAQOSDJT-WBVHZDCISA-N 1 1 277.408 3.023 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1C[C@H](c2ccccc2C)C[C@H]1C ZINC000472576932 393336749 /nfs/dbraw/zinc/33/67/49/393336749.db2.gz IWDCNMXHENQHCV-ZACQAIPSSA-N 1 1 273.420 3.500 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]Cc1ccnn1CC(C)C ZINC000647182237 393374615 /nfs/dbraw/zinc/37/46/15/393374615.db2.gz PQKXPHFPABOLIM-UHFFFAOYSA-N 1 1 299.418 3.394 20 30 CGEDMO C[C@H]1CC[C@@H]([N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000429559663 393479729 /nfs/dbraw/zinc/47/97/29/393479729.db2.gz LVKYDNLGJNTUME-SWLSCSKDSA-N 1 1 296.374 3.229 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000427001397 393452108 /nfs/dbraw/zinc/45/21/08/393452108.db2.gz SJKZDCDXMJYMJK-OAHLLOKOSA-N 1 1 292.810 3.343 20 30 CGEDMO CO[C@H](C)C[N@@H+](Cc1ccc(C#N)c(C)c1)C(C)C ZINC000488438536 393513428 /nfs/dbraw/zinc/51/34/28/393513428.db2.gz GPUGEURYBLJFAM-CQSZACIVSA-N 1 1 260.381 3.112 20 30 CGEDMO C=C(C)[C@@H](CO)[N@@H+]1CCc2ccc(Cl)cc2[C@H](C)C1 ZINC000649746782 393570553 /nfs/dbraw/zinc/57/05/53/393570553.db2.gz IIFJKGXNDMAIHD-MLGOLLRUSA-N 1 1 279.811 3.239 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(C)nc1 ZINC000360976925 393628456 /nfs/dbraw/zinc/62/84/56/393628456.db2.gz YPOAXUHKTBNCJV-UHFFFAOYSA-N 1 1 256.349 3.214 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C(C)C)[C@@H]2CCOC2)cc1 ZINC000361054493 393657169 /nfs/dbraw/zinc/65/71/69/393657169.db2.gz UFKHOUJFYSNDCG-MRXNPFEDSA-N 1 1 275.392 3.251 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC1(C#N)CCC1 ZINC000425540462 393697822 /nfs/dbraw/zinc/69/78/22/393697822.db2.gz VIRUSGGJDGIVFG-ZDUSSCGKSA-N 1 1 253.349 3.245 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC1(C#N)CCC1 ZINC000425540462 393697827 /nfs/dbraw/zinc/69/78/27/393697827.db2.gz VIRUSGGJDGIVFG-ZDUSSCGKSA-N 1 1 253.349 3.245 20 30 CGEDMO N#Cc1csc(C[N@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)c1 ZINC000449541746 393891143 /nfs/dbraw/zinc/89/11/43/393891143.db2.gz OUJLTHORWXWQSM-CABCVRRESA-N 1 1 258.390 3.240 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000667147248 542847467 /nfs/dbraw/zinc/84/74/67/542847467.db2.gz ZNTLCWRZAZCZTD-GASCZTMLSA-N 1 1 296.374 3.358 20 30 CGEDMO C[C@H](NCC[N@H+]1CCCC1(C)C)c1ccc(C#N)c(F)c1 ZINC000453398022 394232144 /nfs/dbraw/zinc/23/21/44/394232144.db2.gz MIGOIQLRYLBUKA-ZDUSSCGKSA-N 1 1 289.398 3.222 20 30 CGEDMO C[C@H]([NH2+]CCN1CCCC1(C)C)c1ccc(C#N)c(F)c1 ZINC000453398022 394232145 /nfs/dbraw/zinc/23/21/45/394232145.db2.gz MIGOIQLRYLBUKA-ZDUSSCGKSA-N 1 1 289.398 3.222 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(O[C@@H]2CCOC2)cc1)C1CC1 ZINC000667982803 542952927 /nfs/dbraw/zinc/95/29/27/542952927.db2.gz QMCOSSYITUNIOT-QGZVFWFLSA-N 1 1 273.376 3.005 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2c(C3CCC3)cnn2C)C1 ZINC000668494128 543020686 /nfs/dbraw/zinc/02/06/86/543020686.db2.gz WFAGMEMNGZPKQC-CQSZACIVSA-N 1 1 273.424 3.476 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccccc2C(=O)N(C)C)C1 ZINC000668494291 543020758 /nfs/dbraw/zinc/02/07/58/543020758.db2.gz XHWNDHNVLUYYMK-OAHLLOKOSA-N 1 1 286.419 3.177 20 30 CGEDMO C=CC[C@H](C)[C@@H](C)[NH2+]CCc1ccc2cn[nH]c2c1 ZINC000671301794 543168089 /nfs/dbraw/zinc/16/80/89/543168089.db2.gz PSPDWVLOMDIICP-QWHCGFSZSA-N 1 1 257.381 3.296 20 30 CGEDMO CCC#C[C@H](C)[N@@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000671721330 543180688 /nfs/dbraw/zinc/18/06/88/543180688.db2.gz NRIRBHCKICKOJB-AWEZNQCLSA-N 1 1 283.375 3.013 20 30 CGEDMO C=C(C)C[N@@H+](CCCOC(C)(C)C)Cc1ccc(CO)o1 ZINC000671720849 543180922 /nfs/dbraw/zinc/18/09/22/543180922.db2.gz XVOSJZXSAQPFIA-UHFFFAOYSA-N 1 1 295.423 3.355 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000671732969 543183198 /nfs/dbraw/zinc/18/31/98/543183198.db2.gz VQGRDXKZNOKWRM-OAHLLOKOSA-N 1 1 274.383 3.140 20 30 CGEDMO COCC#CC[N@@H+](Cc1cccc(Cl)c1)C(C)C ZINC000677132963 543435421 /nfs/dbraw/zinc/43/54/21/543435421.db2.gz BCMXELKFTWXBIG-UHFFFAOYSA-N 1 1 265.784 3.200 20 30 CGEDMO CCC#C[C@@H](C)[NH+]1CCN(c2nccc3sccc32)CC1 ZINC000677168366 543437495 /nfs/dbraw/zinc/43/74/95/543437495.db2.gz SFRJAFLVHCOAJH-CQSZACIVSA-N 1 1 299.443 3.220 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](CC)C[C@H]2CCOC2)cc1 ZINC000678151609 543488733 /nfs/dbraw/zinc/48/87/33/543488733.db2.gz PZHLRPQVOFARHS-MRXNPFEDSA-N 1 1 275.392 3.110 20 30 CGEDMO C[C@@H](NCC[N@@H+]1CCCC(C)(C)C1)c1ccc(C#N)cc1 ZINC000447570586 287027313 /nfs/dbraw/zinc/02/73/13/287027313.db2.gz UTAAMVSERDNDIW-OAHLLOKOSA-N 1 1 285.435 3.331 20 30 CGEDMO C[C@@H](NCC[N@H+]1CCCC(C)(C)C1)c1ccc(C#N)cc1 ZINC000447570586 287027315 /nfs/dbraw/zinc/02/73/15/287027315.db2.gz UTAAMVSERDNDIW-OAHLLOKOSA-N 1 1 285.435 3.331 20 30 CGEDMO CC(C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000080642951 165158874 /nfs/dbraw/zinc/15/88/74/165158874.db2.gz QRQYKJAVONZONV-LSDHHAIUSA-N 1 1 299.418 3.253 20 30 CGEDMO COc1ccc(C[N@H+]2CCCCC[C@@H]2C)cc1C#N ZINC000087833435 165188606 /nfs/dbraw/zinc/18/86/06/165188606.db2.gz AHKITABJJQEPOS-ZDUSSCGKSA-N 1 1 258.365 3.331 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@@H]2C(C)C)cc1C#N ZINC000088836958 165194575 /nfs/dbraw/zinc/19/45/75/165194575.db2.gz XMVSSUSCJIPXMB-OAHLLOKOSA-N 1 1 258.365 3.187 20 30 CGEDMO CN(C)c1cccc(C[N@@H+](C)Cc2cc(C#N)cs2)c1 ZINC000093863613 165337805 /nfs/dbraw/zinc/33/78/05/165337805.db2.gz MJMRNIVXVPIMDP-UHFFFAOYSA-N 1 1 285.416 3.318 20 30 CGEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)o2)C1 ZINC000093868681 165340762 /nfs/dbraw/zinc/34/07/62/165340762.db2.gz VTBQWUUKUZJMHT-BXUZGUMPSA-N 1 1 264.394 3.257 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000122144307 287206686 /nfs/dbraw/zinc/20/66/86/287206686.db2.gz GMZGAUYQFHDWIZ-UHFFFAOYSA-N 1 1 291.354 3.071 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000122144307 287206687 /nfs/dbraw/zinc/20/66/87/287206687.db2.gz GMZGAUYQFHDWIZ-UHFFFAOYSA-N 1 1 291.354 3.071 20 30 CGEDMO COc1ccc(C)cc1[C@H](C)[NH2+]C[C@H](C#N)CCC#N ZINC000024099438 171432181 /nfs/dbraw/zinc/43/21/81/171432181.db2.gz SOAFMYDZVVLROS-KBPBESRZSA-N 1 1 271.364 3.098 20 30 CGEDMO C[N@@H+](CCOc1ccccc1C#N)Cc1cccs1 ZINC000035717393 172371538 /nfs/dbraw/zinc/37/15/38/172371538.db2.gz YXIHVLYBGFENIP-UHFFFAOYSA-N 1 1 272.373 3.131 20 30 CGEDMO CSCC[C@H](C)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000126617763 287269299 /nfs/dbraw/zinc/26/92/99/287269299.db2.gz IFXXUXWQAPUUOL-NSHDSACASA-N 1 1 266.385 3.271 20 30 CGEDMO C[C@H]1SCC[N@@H+](CCCOc2cccc(C#N)c2)[C@H]1C ZINC000127298977 287285116 /nfs/dbraw/zinc/28/51/16/287285116.db2.gz ZOVHINVMHSBWAR-UONOGXRCSA-N 1 1 290.432 3.153 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000078759276 177383574 /nfs/dbraw/zinc/38/35/74/177383574.db2.gz ILZCUANFEPJRBW-MRXNPFEDSA-N 1 1 292.467 3.335 20 30 CGEDMO CCC(CC)c1nnc(NC(=O)C[N@H+](C)C(C)C)s1 ZINC000049398911 416471964 /nfs/dbraw/zinc/47/19/64/416471964.db2.gz FHMPWJMTAIDICE-UHFFFAOYSA-N 1 1 284.429 3.370 20 30 CGEDMO CCC(CC)c1nnc(NC(=O)C[N@@H+](C)C(C)C)s1 ZINC000049398911 416471971 /nfs/dbraw/zinc/47/19/71/416471971.db2.gz FHMPWJMTAIDICE-UHFFFAOYSA-N 1 1 284.429 3.370 20 30 CGEDMO N#CCSCCC[N@H+](CCC(F)(F)F)CC1CC1 ZINC000084137698 416496534 /nfs/dbraw/zinc/49/65/34/416496534.db2.gz VMZVTTLSBUUPGG-UHFFFAOYSA-N 1 1 280.359 3.298 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+](Cc1cccnc1)C(C)C ZINC000093225116 416497208 /nfs/dbraw/zinc/49/72/08/416497208.db2.gz QHBPEBDQERSYQR-UHFFFAOYSA-N 1 1 295.386 3.372 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](Cc1cccnc1)C(C)C ZINC000093225116 416497213 /nfs/dbraw/zinc/49/72/13/416497213.db2.gz QHBPEBDQERSYQR-UHFFFAOYSA-N 1 1 295.386 3.372 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@@H](OC(F)F)C2)c1 ZINC000679741135 543659266 /nfs/dbraw/zinc/65/92/66/543659266.db2.gz VSNWRBMMCFJVOH-OAHLLOKOSA-N 1 1 297.345 3.455 20 30 CGEDMO CCC#C[C@@H](C)[NH2+][C@@H](COCC(C)C)c1ccco1 ZINC000680391268 543707598 /nfs/dbraw/zinc/70/75/98/543707598.db2.gz IEGSFZGTMBJIFC-CABCVRRESA-N 1 1 263.381 3.385 20 30 CGEDMO COc1cccc(OCC[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC000130876258 287365426 /nfs/dbraw/zinc/36/54/26/287365426.db2.gz BYMCMPASGBHFJM-UHFFFAOYSA-N 1 1 296.370 3.078 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000682374457 543838042 /nfs/dbraw/zinc/83/80/42/543838042.db2.gz XVZDXVLDKBUHJQ-GOSISDBHSA-N 1 1 297.402 3.399 20 30 CGEDMO C=C(C)[C@@H](CO)[N@@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000684620987 544020781 /nfs/dbraw/zinc/02/07/81/544020781.db2.gz RZAUDEMQVSOYGQ-MRXNPFEDSA-N 1 1 277.795 3.366 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](CCc3cccnc3)CC2)cc1 ZINC000347963922 226390221 /nfs/dbraw/zinc/39/02/21/226390221.db2.gz WBVNBLGWNZFXAV-UHFFFAOYSA-N 1 1 289.382 3.285 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](CCCCF)CC2)cc1 ZINC000367134106 227180237 /nfs/dbraw/zinc/18/02/37/227180237.db2.gz UIEWYGYGFQURSZ-UHFFFAOYSA-N 1 1 258.340 3.397 20 30 CGEDMO C=CC[N@H+](C[C@H](OC)[C@H]1CCOC1)CC1CCCCC1 ZINC000659918937 419033875 /nfs/dbraw/zinc/03/38/75/419033875.db2.gz CFSMEKDXJYZUMS-IRXDYDNUSA-N 1 1 281.440 3.106 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654519899 418981556 /nfs/dbraw/zinc/98/15/56/418981556.db2.gz OPXFGIKULCLRNZ-XHSDSOJGSA-N 1 1 293.455 3.047 20 30 CGEDMO C=CCCn1cc(C[N@H+]2CCC[C@]3(CC=CCC3)C2)nn1 ZINC000653556914 419048672 /nfs/dbraw/zinc/04/86/72/419048672.db2.gz PLCRNOHBSOWADE-QGZVFWFLSA-N 1 1 286.423 3.177 20 30 CGEDMO C=CC[N@H+](C)Cc1cn(-c2ccc(C)cc2)nc1C ZINC000656254897 419157865 /nfs/dbraw/zinc/15/78/65/419157865.db2.gz CRWINHSNTOLTRR-UHFFFAOYSA-N 1 1 255.365 3.107 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(C)c(OC)c1)[C@@H](C)COC ZINC000661239300 419243234 /nfs/dbraw/zinc/24/32/34/419243234.db2.gz DZRSNPKQQOQJKG-AWEZNQCLSA-N 1 1 263.381 3.027 20 30 CGEDMO C=CC[N@H+](CCc1nsc2ccccc21)[C@@H](C)COC ZINC000661238886 419243520 /nfs/dbraw/zinc/24/35/20/419243520.db2.gz GZPBQSDUGGVIMM-ZDUSSCGKSA-N 1 1 290.432 3.362 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)NCc2cccs2)C1 ZINC000661378882 419254991 /nfs/dbraw/zinc/25/49/91/419254991.db2.gz NSNXSBREOFJMOV-KBPBESRZSA-N 1 1 292.448 3.041 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2F)C1 ZINC000661378809 419255076 /nfs/dbraw/zinc/25/50/76/419255076.db2.gz MQTMFOROLDOGIN-AWEZNQCLSA-N 1 1 290.382 3.442 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@H](C(=O)N(C)C)c2ccccc2)C1 ZINC000661378198 419255779 /nfs/dbraw/zinc/25/57/79/419255779.db2.gz ADOOTZQLTADSSP-WBVHZDCISA-N 1 1 286.419 3.104 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000661657618 419283471 /nfs/dbraw/zinc/28/34/71/419283471.db2.gz BZTLTDKQGKUZEE-GOEBONIOSA-N 1 1 293.382 3.298 20 30 CGEDMO C=CC[N@H+](CCOc1ccccc1OC)C(C)(C)C ZINC000661754882 419295169 /nfs/dbraw/zinc/29/51/69/419295169.db2.gz FIYZHKZKBZVXKC-UHFFFAOYSA-N 1 1 263.381 3.361 20 30 CGEDMO C=CC[N@H+](C[C@H](O)[C@@H](C)c1ccccc1)C(C)(C)C ZINC000661759010 419296208 /nfs/dbraw/zinc/29/62/08/419296208.db2.gz XWUANFONMJSMGR-HOCLYGCPSA-N 1 1 261.409 3.438 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1cc(C)ccc1C ZINC000662081232 419333288 /nfs/dbraw/zinc/33/32/88/419333288.db2.gz VCMNXSWSLWGUOD-IYBDPMFKSA-N 1 1 284.403 3.425 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnc(C(C)C)s1 ZINC000662088855 419334079 /nfs/dbraw/zinc/33/40/79/419334079.db2.gz PDYIKBNPNLJAPK-TXEJJXNPSA-N 1 1 263.410 3.345 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnc(C(C)C)s1 ZINC000662088855 419334080 /nfs/dbraw/zinc/33/40/80/419334080.db2.gz PDYIKBNPNLJAPK-TXEJJXNPSA-N 1 1 263.410 3.345 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1ccc(C(C)=O)cc1 ZINC000662085089 419334315 /nfs/dbraw/zinc/33/43/15/419334315.db2.gz CSNKPRIPKGJTLT-CALCHBBNSA-N 1 1 298.386 3.011 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccc(C(C)=O)cc1 ZINC000662085089 419334317 /nfs/dbraw/zinc/33/43/17/419334317.db2.gz CSNKPRIPKGJTLT-CALCHBBNSA-N 1 1 298.386 3.011 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2c(c1)OCCO2 ZINC000662087548 419334895 /nfs/dbraw/zinc/33/48/95/419334895.db2.gz CBTHNUIEMZMOMK-GASCZTMLSA-N 1 1 271.360 3.141 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ncc(C)c(OC)c1C ZINC000662083553 419334956 /nfs/dbraw/zinc/33/49/56/419334956.db2.gz FWEXBCILSLKNCM-GASCZTMLSA-N 1 1 272.392 3.390 20 30 CGEDMO C=CCNC(=O)C[N@@H+](C(C)C)[C@H](CC)c1ccccc1 ZINC000662109670 419336736 /nfs/dbraw/zinc/33/67/36/419336736.db2.gz ZOUGJKACEYEDCL-MRXNPFEDSA-N 1 1 274.408 3.150 20 30 CGEDMO C=C(C)[C@@H](CO)[N@@H+](CCC)CCc1cccc(F)c1 ZINC000662894560 419502433 /nfs/dbraw/zinc/50/24/33/419502433.db2.gz FCHYHRDGKFDFHY-MRXNPFEDSA-N 1 1 265.372 3.017 20 30 CGEDMO C=CCC[C@@H](N[C@@H]1CC[N@@H+](CCC)C1)c1ccco1 ZINC000658287538 419739494 /nfs/dbraw/zinc/73/94/94/419739494.db2.gz ZZYFBNJOHIKGCM-HUUCEWRRSA-N 1 1 262.397 3.361 20 30 CGEDMO C=CCC[C@@H](N[C@@H]1CC[N@H+](CCC)C1)c1ccco1 ZINC000658287538 419739501 /nfs/dbraw/zinc/73/95/01/419739501.db2.gz ZZYFBNJOHIKGCM-HUUCEWRRSA-N 1 1 262.397 3.361 20 30 CGEDMO C=CCCC[NH+]1CCN(C2CCC(C)CC2)CC1 ZINC000117884239 260117031 /nfs/dbraw/zinc/11/70/31/260117031.db2.gz JDLFQOJOIMJWDZ-UHFFFAOYSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)c1cnccn1 ZINC000298255966 260149059 /nfs/dbraw/zinc/14/90/59/260149059.db2.gz UUXWDIJOHJGKQN-AWEZNQCLSA-N 1 1 283.375 3.234 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)c1cnccn1 ZINC000298255966 260149060 /nfs/dbraw/zinc/14/90/60/260149060.db2.gz UUXWDIJOHJGKQN-AWEZNQCLSA-N 1 1 283.375 3.234 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)CCC1CCCCC1 ZINC000523817422 260285516 /nfs/dbraw/zinc/28/55/16/260285516.db2.gz ALOFRIZOEYDJOQ-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCOc1ccccc1C[NH2+][C@H](C)CN(CC)CC ZINC000045692468 260653371 /nfs/dbraw/zinc/65/33/71/260653371.db2.gz HGWDXADIFCIALD-OAHLLOKOSA-N 1 1 276.424 3.071 20 30 CGEDMO CC[N@H+](Cc1ccc(N(C)CCC#N)cc1)CC1CC1 ZINC000125660967 260768307 /nfs/dbraw/zinc/76/83/07/260768307.db2.gz NLEMBCPXGTUAEK-UHFFFAOYSA-N 1 1 271.408 3.268 20 30 CGEDMO C[N@@H+](CCCCC(C)(C)C#N)C[C@@H]1CCCC[C@H]1O ZINC000444674801 261061571 /nfs/dbraw/zinc/06/15/71/261061571.db2.gz LKAJLOXZLJRUON-LSDHHAIUSA-N 1 1 266.429 3.189 20 30 CGEDMO C#CC[NH+]1CCC(c2nc(C3(CCC)CCC3)no2)CC1 ZINC000491266415 261394251 /nfs/dbraw/zinc/39/42/51/261394251.db2.gz OUNANRZZZDPUPS-UHFFFAOYSA-N 1 1 287.407 3.104 20 30 CGEDMO COc1ccc(C#N)cc1Cn1c[nH+]c2c1C[C@H](C)[C@@H](C)C2 ZINC000390026718 262082874 /nfs/dbraw/zinc/08/28/74/262082874.db2.gz XUZRMSVMIGYGRC-STQMWFEESA-N 1 1 295.386 3.182 20 30 CGEDMO Cc1ccc2cc(C[N@@H+](C)[C@H](C)CC#N)ccc2n1 ZINC000187181165 262127304 /nfs/dbraw/zinc/12/73/04/262127304.db2.gz MVPDPWDPIVTULY-CYBMUJFWSA-N 1 1 253.349 3.277 20 30 CGEDMO Cc1ccc2cc(C[N@H+](C)[C@H](C)CC#N)ccc2n1 ZINC000187181165 262127307 /nfs/dbraw/zinc/12/73/07/262127307.db2.gz MVPDPWDPIVTULY-CYBMUJFWSA-N 1 1 253.349 3.277 20 30 CGEDMO C=CC1CC[NH+]([C@@H](C)C(=O)Nc2cc(F)ccc2F)CC1 ZINC000111260300 262258658 /nfs/dbraw/zinc/25/86/58/262258658.db2.gz DFAULLJMPGGHOM-NSHDSACASA-N 1 1 294.345 3.190 20 30 CGEDMO C=CC1CC[NH+](Cc2nc(-c3cccs3)no2)CC1 ZINC000111258310 262259149 /nfs/dbraw/zinc/25/91/49/262259149.db2.gz PLJCZYODLFUEQW-UHFFFAOYSA-N 1 1 275.377 3.196 20 30 CGEDMO C[N@@H+](CCCCC#N)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000495972226 262329541 /nfs/dbraw/zinc/32/95/41/262329541.db2.gz UPUVPOSDPDQXTD-UHFFFAOYSA-N 1 1 295.427 3.059 20 30 CGEDMO C=CC[NH+](CC=C)[C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000355459112 262368288 /nfs/dbraw/zinc/36/82/88/262368288.db2.gz TTZYMICEFYHIQA-ZDUSSCGKSA-N 1 1 292.810 3.019 20 30 CGEDMO N#CCCOCC[N@@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000339078132 262594797 /nfs/dbraw/zinc/59/47/97/262594797.db2.gz IPXFRZNQZOWZNF-OAHLLOKOSA-N 1 1 290.382 3.325 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000272058818 263001609 /nfs/dbraw/zinc/00/16/09/263001609.db2.gz WFEWBCWPYRWYGQ-UONOGXRCSA-N 1 1 276.380 3.107 20 30 CGEDMO CC(C)(O)C[N@@H+](CCC(C)(C)C#N)Cc1ccccc1 ZINC000272068241 263001868 /nfs/dbraw/zinc/00/18/68/263001868.db2.gz YIJCSHUXOSPTOB-UHFFFAOYSA-N 1 1 274.408 3.199 20 30 CGEDMO CC1(C#N)CC[NH+](C[C@H](O)c2ccc(F)cc2Cl)CC1 ZINC000274787914 263030278 /nfs/dbraw/zinc/03/02/78/263030278.db2.gz BKXHEBCIQIZLFO-AWEZNQCLSA-N 1 1 296.773 3.138 20 30 CGEDMO CC[N@H+](Cc1c(F)cccc1F)[C@@H]1CC[C@H](C#N)C1 ZINC000278499806 263048386 /nfs/dbraw/zinc/04/83/86/263048386.db2.gz ABFYECMOJGPTAY-NWDGAFQWSA-N 1 1 264.319 3.479 20 30 CGEDMO CC[N@@H+](Cc1c(F)cccc1F)[C@@H]1CC[C@H](C#N)C1 ZINC000278499806 263048387 /nfs/dbraw/zinc/04/83/87/263048387.db2.gz ABFYECMOJGPTAY-NWDGAFQWSA-N 1 1 264.319 3.479 20 30 CGEDMO CC[N@H+](Cc1c(F)cccc1F)[C@H]1CC[C@H](C#N)C1 ZINC000278499808 263048434 /nfs/dbraw/zinc/04/84/34/263048434.db2.gz ABFYECMOJGPTAY-RYUDHWBXSA-N 1 1 264.319 3.479 20 30 CGEDMO CC[N@@H+](Cc1c(F)cccc1F)[C@H]1CC[C@H](C#N)C1 ZINC000278499808 263048435 /nfs/dbraw/zinc/04/84/35/263048435.db2.gz ABFYECMOJGPTAY-RYUDHWBXSA-N 1 1 264.319 3.479 20 30 CGEDMO C[C@@H]1CCN([C@@H]2CC[C@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000278771820 263050813 /nfs/dbraw/zinc/05/08/13/263050813.db2.gz YUAPAHHLTCBRFR-NZSAHSFTSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C#N)C2)CCN1Cc1ccccc1 ZINC000278771820 263050814 /nfs/dbraw/zinc/05/08/14/263050814.db2.gz YUAPAHHLTCBRFR-NZSAHSFTSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C#N)C2)CCN1Cc1ccccc1 ZINC000278771820 263050815 /nfs/dbraw/zinc/05/08/15/263050815.db2.gz YUAPAHHLTCBRFR-NZSAHSFTSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1CCN([C@H]2CC[C@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000278771818 263050848 /nfs/dbraw/zinc/05/08/48/263050848.db2.gz YUAPAHHLTCBRFR-NEWSRXKRSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C#N)C2)CCN1Cc1ccccc1 ZINC000278771818 263050849 /nfs/dbraw/zinc/05/08/49/263050849.db2.gz YUAPAHHLTCBRFR-NEWSRXKRSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1CC[N@H+]([C@H]2CC[C@H](C#N)C2)CCN1Cc1ccccc1 ZINC000278771818 263050850 /nfs/dbraw/zinc/05/08/50/263050850.db2.gz YUAPAHHLTCBRFR-NEWSRXKRSA-N 1 1 297.446 3.275 20 30 CGEDMO CC[C@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CCCO1 ZINC000281576306 263070485 /nfs/dbraw/zinc/07/04/85/263070485.db2.gz ZLEMAUSHVYIFQY-INIZCTEOSA-N 1 1 286.419 3.489 20 30 CGEDMO C[C@H](c1cccnc1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000281940535 263073008 /nfs/dbraw/zinc/07/30/08/263073008.db2.gz ISFKTUTWLHPVCS-OAHLLOKOSA-N 1 1 287.407 3.175 20 30 CGEDMO C=C[C@@H](CC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000340146053 263077717 /nfs/dbraw/zinc/07/77/17/263077717.db2.gz AWMZWHRSKCOLDM-YJBOKZPZSA-N 1 1 298.430 3.041 20 30 CGEDMO COCC(C)(C)[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000292051496 263127573 /nfs/dbraw/zinc/12/75/73/263127573.db2.gz AYPNVGPYQYPGHN-UHFFFAOYSA-N 1 1 274.408 3.345 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@H](Oc3ccccc3Cl)C2)C1 ZINC000292716121 263134205 /nfs/dbraw/zinc/13/42/05/263134205.db2.gz AEUPCRYIQGHACV-RDBSUJKOSA-N 1 1 290.794 3.485 20 30 CGEDMO C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCOCCC#N)C1 ZINC000292837203 263135636 /nfs/dbraw/zinc/13/56/36/263135636.db2.gz PFEMHCJGZPPCCA-BBRMVZONSA-N 1 1 276.355 3.139 20 30 CGEDMO N#CCCOCC[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000293201929 263138644 /nfs/dbraw/zinc/13/86/44/263138644.db2.gz ULEVLONHFHZDEO-KRWDZBQOSA-N 1 1 272.392 3.014 20 30 CGEDMO N#CCCOCC[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000293201934 263138824 /nfs/dbraw/zinc/13/88/24/263138824.db2.gz ULEVLONHFHZDEO-QGZVFWFLSA-N 1 1 272.392 3.014 20 30 CGEDMO NC(=[NH+]OCc1cccc2cccnc21)C1CCCC1 ZINC000298741659 263225351 /nfs/dbraw/zinc/22/53/51/263225351.db2.gz DGPXSCXXJKMSOP-UHFFFAOYSA-N 1 1 269.348 3.214 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000298826286 263226515 /nfs/dbraw/zinc/22/65/15/263226515.db2.gz GMXBYHSTAYZSNV-HUUCEWRRSA-N 1 1 258.365 3.080 20 30 CGEDMO COc1ccccc1[C@H]1CC[N@H+]([C@@H](C)CCC#N)C1 ZINC000299277003 263237473 /nfs/dbraw/zinc/23/74/73/263237473.db2.gz MSCWVLPCAPIOIG-KBPBESRZSA-N 1 1 258.365 3.177 20 30 CGEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)N(CC#N)C2CC2)cc1 ZINC000299568859 263247703 /nfs/dbraw/zinc/24/77/03/263247703.db2.gz BHEFAMAAWNDOJJ-UHFFFAOYSA-N 1 1 299.418 3.047 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(C(F)(F)F)cn1 ZINC000341838460 263357418 /nfs/dbraw/zinc/35/74/18/263357418.db2.gz ZLCGREZAWBPYOK-UHFFFAOYSA-N 1 1 258.287 3.498 20 30 CGEDMO C=CC[N@H+](Cc1cnc(N(C)C)n1C)CC1CCCCC1 ZINC000425337582 264006762 /nfs/dbraw/zinc/00/67/62/264006762.db2.gz NYLSCFKESLXHGV-UHFFFAOYSA-N 1 1 290.455 3.054 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000343267399 264279289 /nfs/dbraw/zinc/27/92/89/264279289.db2.gz JFFWVFMOWBQJTP-GOEBONIOSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCOc1ccccc1C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000161510463 264288113 /nfs/dbraw/zinc/28/81/13/264288113.db2.gz LKQXFZMWMOTOAR-INMHGKMJSA-N 1 1 288.435 3.070 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000129528498 264323484 /nfs/dbraw/zinc/32/34/84/264323484.db2.gz VGHOFARZSGAICO-USXIJHARSA-N 1 1 291.460 3.492 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000076734919 264342847 /nfs/dbraw/zinc/34/28/47/264342847.db2.gz JKYGNIBALAJIEA-INIZCTEOSA-N 1 1 290.382 3.043 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1cc(F)ccc1F ZINC000076734030 264344034 /nfs/dbraw/zinc/34/40/34/264344034.db2.gz XOKYVLPIYNFFTK-NSHDSACASA-N 1 1 282.334 3.190 20 30 CGEDMO CC(C)(C#N)CCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425501864 264363817 /nfs/dbraw/zinc/36/38/17/264363817.db2.gz OWXXCQADLQOBIR-ZWKOTPCHSA-N 1 1 297.446 3.133 20 30 CGEDMO CC(C)(C#N)CC[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425501864 264363820 /nfs/dbraw/zinc/36/38/20/264363820.db2.gz OWXXCQADLQOBIR-ZWKOTPCHSA-N 1 1 297.446 3.133 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425501864 264363822 /nfs/dbraw/zinc/36/38/22/264363822.db2.gz OWXXCQADLQOBIR-ZWKOTPCHSA-N 1 1 297.446 3.133 20 30 CGEDMO C#CCCOc1ccc(C[NH2+][C@H](COC)c2ccco2)cc1 ZINC000080239394 264392020 /nfs/dbraw/zinc/39/20/20/264392020.db2.gz ZOGUPYRBBFFATO-QGZVFWFLSA-N 1 1 299.370 3.159 20 30 CGEDMO C#CCOc1ccc([C@H](C)[NH2+][C@H](C)Cc2cc(C)[nH]n2)cc1 ZINC000090533292 264397567 /nfs/dbraw/zinc/39/75/67/264397567.db2.gz YVYZXXYYNXDBLI-HIFRSBDPSA-N 1 1 297.402 3.012 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@@H](O)C23CCCC3)c1 ZINC000294063201 265005753 /nfs/dbraw/zinc/00/57/53/265005753.db2.gz XWYHBSDWOQPCQH-QGZVFWFLSA-N 1 1 287.403 3.131 20 30 CGEDMO C=CCC[C@@H]([NH2+]Cc1cnccc1OC)c1ccco1 ZINC000294082522 265007560 /nfs/dbraw/zinc/00/75/60/265007560.db2.gz IMOUZHCJLYNCNC-CQSZACIVSA-N 1 1 272.348 3.480 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+](CC)Cc1ccccc1C ZINC000514541550 265178168 /nfs/dbraw/zinc/17/81/68/265178168.db2.gz QKKJPNSOKVMPFB-UHFFFAOYSA-N 1 1 288.435 3.242 20 30 CGEDMO Cc1noc(C)c1C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000189193850 270070875 /nfs/dbraw/zinc/07/08/75/270070875.db2.gz KYXSGUBZFGLTFS-GFCCVEGCSA-N 1 1 269.348 3.356 20 30 CGEDMO Cc1noc(C)c1C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000189193850 270070876 /nfs/dbraw/zinc/07/08/76/270070876.db2.gz KYXSGUBZFGLTFS-GFCCVEGCSA-N 1 1 269.348 3.356 20 30 CGEDMO C=CCCCC[N@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000514659212 266030991 /nfs/dbraw/zinc/03/09/91/266030991.db2.gz VZTCQIXAARWGTJ-SFHVURJKSA-N 1 1 285.387 3.453 20 30 CGEDMO N#Cc1ccccc1N1CCC[N@@H+](CC2CCCC2)CC1 ZINC000524156265 270111938 /nfs/dbraw/zinc/11/19/38/270111938.db2.gz CFHVEFYOOQXTTC-UHFFFAOYSA-N 1 1 283.419 3.261 20 30 CGEDMO C=CC[N@H+](Cc1ccc(C#N)cc1OC(F)F)C1CC1 ZINC000357553936 266322200 /nfs/dbraw/zinc/32/22/00/266322200.db2.gz QBNXKHPDXQBTKT-UHFFFAOYSA-N 1 1 278.302 3.310 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](N2CCCC2)[C@H]1C ZINC000367892585 267124833 /nfs/dbraw/zinc/12/48/33/267124833.db2.gz QUPYENGLCRXVHZ-CVEARBPZSA-N 1 1 250.430 3.291 20 30 CGEDMO C=CCCCCCN1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000367892585 267124836 /nfs/dbraw/zinc/12/48/36/267124836.db2.gz QUPYENGLCRXVHZ-CVEARBPZSA-N 1 1 250.430 3.291 20 30 CGEDMO C[C@H](CN1CCCCCC1)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000186728692 267156003 /nfs/dbraw/zinc/15/60/03/267156003.db2.gz YRVNOWRUOQZROL-HZPDHXFCSA-N 1 1 285.435 3.473 20 30 CGEDMO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000369242380 267229466 /nfs/dbraw/zinc/22/94/66/267229466.db2.gz JDSIQZVNKBRRIW-MSOLQXFVSA-N 1 1 281.403 3.385 20 30 CGEDMO CC(C)(C#N)CC[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000120008919 267352851 /nfs/dbraw/zinc/35/28/51/267352851.db2.gz STSXDRYABXRMRZ-SFHVURJKSA-N 1 1 284.403 3.100 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000120008919 267352853 /nfs/dbraw/zinc/35/28/53/267352853.db2.gz STSXDRYABXRMRZ-SFHVURJKSA-N 1 1 284.403 3.100 20 30 CGEDMO CC(C)(C#N)CC[N@@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000305801632 268001583 /nfs/dbraw/zinc/00/15/83/268001583.db2.gz XPKNSNVXXWJOSP-QGZVFWFLSA-N 1 1 286.419 3.199 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)Cc1ccc(C#N)cc1 ZINC000123496358 268055921 /nfs/dbraw/zinc/05/59/21/268055921.db2.gz KZYZBMXJKZCKMB-UHFFFAOYSA-N 1 1 255.365 3.320 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)Cc1ccc(C#N)cc1 ZINC000123496358 268055922 /nfs/dbraw/zinc/05/59/22/268055922.db2.gz KZYZBMXJKZCKMB-UHFFFAOYSA-N 1 1 255.365 3.320 20 30 CGEDMO Cc1ccnc(NC[C@@H]2CC[N@H+]2C2CCCCC2)c1C#N ZINC000528114621 268063687 /nfs/dbraw/zinc/06/36/87/268063687.db2.gz AAXRDTXSVOHXQT-HNNXBMFYSA-N 1 1 284.407 3.081 20 30 CGEDMO C[C@@H]1CCC[C@@H](C)[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000357730191 274293874 /nfs/dbraw/zinc/29/38/74/274293874.db2.gz ADQUMLOBFRIDOV-ZIAGYGMSSA-N 1 1 285.391 3.007 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)Cc2ccccc2O1 ZINC000429125795 274353902 /nfs/dbraw/zinc/35/39/02/274353902.db2.gz FQZORYADPBGGIS-CQSZACIVSA-N 1 1 278.355 3.341 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)Cc2ccccc2O1 ZINC000429125795 274353903 /nfs/dbraw/zinc/35/39/03/274353903.db2.gz FQZORYADPBGGIS-CQSZACIVSA-N 1 1 278.355 3.341 20 30 CGEDMO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1ncc[nH]1 ZINC000334904718 278371129 /nfs/dbraw/zinc/37/11/29/278371129.db2.gz GXKRFYGWIJXBIX-IAQYHMDHSA-N 1 1 266.348 3.010 20 30 CGEDMO CC(C)C[C@H](CN[C@@H](C)c1ccc(C#N)cc1)[NH+](C)C ZINC000020201328 279164063 /nfs/dbraw/zinc/16/40/63/279164063.db2.gz MHTLNPSVAALXPP-WMLDXEAASA-N 1 1 273.424 3.185 20 30 CGEDMO CC[N@H+]1CCCC[C@@H]1CNc1cc(C(C)=O)ccc1C#N ZINC000302009431 279275608 /nfs/dbraw/zinc/27/56/08/279275608.db2.gz BUIURLALBULFJH-MRXNPFEDSA-N 1 1 285.391 3.047 20 30 CGEDMO C[C@]1(CN[C@H]2CCCCc3cc(C#N)ccc32)CCC[NH2+]C1 ZINC000423343094 280159281 /nfs/dbraw/zinc/15/92/81/280159281.db2.gz NMYVJUYIJWJBIG-OALUTQOASA-N 1 1 297.446 3.305 20 30 CGEDMO Cc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000271161678 281366790 /nfs/dbraw/zinc/36/67/90/281366790.db2.gz IWTYWWRWEVOZRD-CQSZACIVSA-N 1 1 266.344 3.449 20 30 CGEDMO CC[C@H](c1ccccc1OC)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000554886475 289317600 /nfs/dbraw/zinc/31/76/00/289317600.db2.gz LRWCXWDKTUYCTO-QGZVFWFLSA-N 1 1 297.402 3.488 20 30 CGEDMO COC(C)(C)C[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000531757194 328032132 /nfs/dbraw/zinc/03/21/32/328032132.db2.gz HKPLVVGPETWVQJ-UHFFFAOYSA-N 1 1 274.408 3.345 20 30 CGEDMO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1C[C@H](C#N)CCC#N ZINC000267036449 328172031 /nfs/dbraw/zinc/17/20/31/328172031.db2.gz NXLCXMCVNFCZLE-BPQIPLTHSA-N 1 1 281.403 3.383 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)C1 ZINC000278697894 328229921 /nfs/dbraw/zinc/22/99/21/328229921.db2.gz SUVLKHZCXODJHC-HIFRSBDPSA-N 1 1 292.386 3.344 20 30 CGEDMO N#C[C@H]1CC[C@@H]([N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)C1 ZINC000278697891 328229965 /nfs/dbraw/zinc/22/99/65/328229965.db2.gz SUVLKHZCXODJHC-DZGCQCFKSA-N 1 1 292.386 3.344 20 30 CGEDMO CC1CCC([N@@H+](CC(=O)Nc2nncs2)C2CC2)CC1 ZINC000048579772 328317053 /nfs/dbraw/zinc/31/70/53/328317053.db2.gz XXSNCKYHIVVKEP-UHFFFAOYSA-N 1 1 294.424 3.169 20 30 CGEDMO C[C@@H]1Cc2c([nH+]cn2Cc2ccc(C#N)s2)C[C@@H]1C ZINC000563633116 322005244 /nfs/dbraw/zinc/00/52/44/322005244.db2.gz ZHWQLOWZMHWAIT-WDEREUQCSA-N 1 1 271.389 3.235 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000564449414 322031527 /nfs/dbraw/zinc/03/15/27/322031527.db2.gz CQRSZHFUCVXSIL-KGLIPLIRSA-N 1 1 270.376 3.263 20 30 CGEDMO C[C@H](C1CC1)[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C1CC1 ZINC000565047969 322057092 /nfs/dbraw/zinc/05/70/92/322057092.db2.gz YQGZHRJLJSVGCJ-LLVKDONJSA-N 1 1 285.347 3.229 20 30 CGEDMO CC1(C)C[N@H+](Cc2ccc(C#N)cn2)CC[C@H]1C(F)(F)F ZINC000566569312 322130124 /nfs/dbraw/zinc/13/01/24/322130124.db2.gz OZRFMNBGOLEQGV-CYBMUJFWSA-N 1 1 297.324 3.364 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cn2)CC[C@H]1C(F)(F)F ZINC000566569312 322130127 /nfs/dbraw/zinc/13/01/27/322130127.db2.gz OZRFMNBGOLEQGV-CYBMUJFWSA-N 1 1 297.324 3.364 20 30 CGEDMO CCC1(CC)CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000567392033 322161741 /nfs/dbraw/zinc/16/17/41/322161741.db2.gz AWQRUFBWRUIBPI-UHFFFAOYSA-N 1 1 287.363 3.479 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000567811261 322179102 /nfs/dbraw/zinc/17/91/02/322179102.db2.gz ZWMGHCPTOIBEHZ-KGLIPLIRSA-N 1 1 270.376 3.263 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2C2CCC2)c([N+](=O)[O-])c1 ZINC000567989510 322186668 /nfs/dbraw/zinc/18/66/68/322186668.db2.gz JEFQOYXCTHHGPM-HNNXBMFYSA-N 1 1 285.347 3.231 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)nc1 ZINC000568879791 322225945 /nfs/dbraw/zinc/22/59/45/322225945.db2.gz MCRMMHOJDJKAFJ-GOSISDBHSA-N 1 1 295.361 3.299 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3ccncc3)C2)cc1F ZINC000570174268 322267078 /nfs/dbraw/zinc/26/70/78/322267078.db2.gz VNXLYBFLTRGNTI-MRXNPFEDSA-N 1 1 281.334 3.082 20 30 CGEDMO Cc1cc(CN2CCC[N@H+](C(C)(C)C)CC2)ccc1C#N ZINC000571351850 322296560 /nfs/dbraw/zinc/29/65/60/322296560.db2.gz KYGNKCCHNYXFDF-UHFFFAOYSA-N 1 1 285.435 3.173 20 30 CGEDMO C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cc1ccc(C#N)cn1 ZINC000571413726 322298205 /nfs/dbraw/zinc/29/82/05/322298205.db2.gz JJBZEADXBFECSX-YJBOKZPZSA-N 1 1 291.398 3.406 20 30 CGEDMO C=CC[N@H+](CCn1c(C)csc1=O)CC1CCCCC1 ZINC000112202313 328388938 /nfs/dbraw/zinc/38/89/38/328388938.db2.gz YAJXZEFXXDZWBV-UHFFFAOYSA-N 1 1 294.464 3.287 20 30 CGEDMO N#CC1(c2ccccn2)CC[NH+](Cc2ccsc2)CC1 ZINC000334347956 328423366 /nfs/dbraw/zinc/42/33/66/328423366.db2.gz YCMMUPOHMVAFJZ-UHFFFAOYSA-N 1 1 283.400 3.200 20 30 CGEDMO C=CCOCC[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000292675466 328538034 /nfs/dbraw/zinc/53/80/34/328538034.db2.gz BIHDXMLVOLGILO-CQSZACIVSA-N 1 1 274.389 3.025 20 30 CGEDMO C=C(CC)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000557292181 327000476 /nfs/dbraw/zinc/00/04/76/327000476.db2.gz QPVPUUZHMQAQCE-GOSISDBHSA-N 1 1 272.436 3.407 20 30 CGEDMO C=C(CC)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000557292181 327000477 /nfs/dbraw/zinc/00/04/77/327000477.db2.gz QPVPUUZHMQAQCE-GOSISDBHSA-N 1 1 272.436 3.407 20 30 CGEDMO C=C(CC)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000557292181 327000479 /nfs/dbraw/zinc/00/04/79/327000479.db2.gz QPVPUUZHMQAQCE-GOSISDBHSA-N 1 1 272.436 3.407 20 30 CGEDMO C=C(CC)C[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000557292181 327000481 /nfs/dbraw/zinc/00/04/81/327000481.db2.gz QPVPUUZHMQAQCE-GOSISDBHSA-N 1 1 272.436 3.407 20 30 CGEDMO C=C(CC)C[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000557292181 327000482 /nfs/dbraw/zinc/00/04/82/327000482.db2.gz QPVPUUZHMQAQCE-GOSISDBHSA-N 1 1 272.436 3.407 20 30 CGEDMO C=C(CC)CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000557292181 327000484 /nfs/dbraw/zinc/00/04/84/327000484.db2.gz QPVPUUZHMQAQCE-GOSISDBHSA-N 1 1 272.436 3.407 20 30 CGEDMO C=C(CC)CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000557292181 327000485 /nfs/dbraw/zinc/00/04/85/327000485.db2.gz QPVPUUZHMQAQCE-GOSISDBHSA-N 1 1 272.436 3.407 20 30 CGEDMO N#CCSCCC[N@H+](Cc1ccccc1F)C1CC1 ZINC000074980764 327122490 /nfs/dbraw/zinc/12/24/90/327122490.db2.gz CPJLXGOEDKKBGO-UHFFFAOYSA-N 1 1 278.396 3.437 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](F)C2)cc1OC ZINC000518546915 327173373 /nfs/dbraw/zinc/17/33/73/327173373.db2.gz QUDNHGRYNDZVBY-CQSZACIVSA-N 1 1 279.355 3.194 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H](F)C2)cc1OC ZINC000518546915 327173375 /nfs/dbraw/zinc/17/33/75/327173375.db2.gz QUDNHGRYNDZVBY-CQSZACIVSA-N 1 1 279.355 3.194 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCCC#N)C[C@H](c2ccccc2)O1 ZINC000102398082 327226976 /nfs/dbraw/zinc/22/69/76/327226976.db2.gz CVSKIRNVJNEIPQ-GDBMZVCRSA-N 1 1 258.365 3.142 20 30 CGEDMO CC(C)[C@H]1C[N@H+](CC#Cc2ccccc2Cl)CCCO1 ZINC000559497514 327248988 /nfs/dbraw/zinc/24/89/88/327248988.db2.gz MICAYJZORWIOFA-QGZVFWFLSA-N 1 1 291.822 3.438 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](CC#Cc2ccccc2Cl)CCCO1 ZINC000559497514 327248989 /nfs/dbraw/zinc/24/89/89/327248989.db2.gz MICAYJZORWIOFA-QGZVFWFLSA-N 1 1 291.822 3.438 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)NCc1cccs1 ZINC000150902211 327396954 /nfs/dbraw/zinc/39/69/54/327396954.db2.gz NNZFWNQWVCWKAJ-AWEZNQCLSA-N 1 1 294.464 3.431 20 30 CGEDMO Cc1nc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)[nH]c1C ZINC000583642312 328725351 /nfs/dbraw/zinc/72/53/51/328725351.db2.gz WLCWESROXDDSPA-MRXNPFEDSA-N 1 1 280.375 3.065 20 30 CGEDMO C=C[C@H](CC(=O)N1CCC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000378276871 329044934 /nfs/dbraw/zinc/04/49/34/329044934.db2.gz XOMNCWMLJHRUQV-AEFFLSMTSA-N 1 1 298.430 3.043 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000582602159 329114297 /nfs/dbraw/zinc/11/42/97/329114297.db2.gz MCTBAAAGGGDQAN-JSGCOSHPSA-N 1 1 295.308 3.366 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000186008570 329335780 /nfs/dbraw/zinc/33/57/80/329335780.db2.gz VPSUKKFNYRSQDI-CVEARBPZSA-N 1 1 288.435 3.225 20 30 CGEDMO CO[C@]1(C)CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000230265182 329365853 /nfs/dbraw/zinc/36/58/53/329365853.db2.gz LCYOWAVUKCZGPG-OAHLLOKOSA-N 1 1 252.402 3.207 20 30 CGEDMO C=CC[N@H+](CCc1ccccn1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297904 329378350 /nfs/dbraw/zinc/37/83/50/329378350.db2.gz PGLJMAIPNOFLHY-UHFFFAOYSA-N 1 1 297.358 3.221 20 30 CGEDMO C=C(C)[C@H]([NH2+]Cc1ncccc1O)c1ccc(F)c(F)c1 ZINC000583898705 329530627 /nfs/dbraw/zinc/53/06/27/329530627.db2.gz IDWQWOCKKBGFLX-INIZCTEOSA-N 1 1 290.313 3.472 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000120541903 329551099 /nfs/dbraw/zinc/55/10/99/329551099.db2.gz ZUPUQHWWIMFOPA-KRWDZBQOSA-N 1 1 297.402 3.111 20 30 CGEDMO COC[C@@H]([NH2+]C1CC(C#N)(c2ccccc2)C1)c1ccco1 ZINC000127494927 329599927 /nfs/dbraw/zinc/59/99/27/329599927.db2.gz YTHAWAWBYDBZAK-UPTPFMHGSA-N 1 1 296.370 3.181 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)Cc1nc(C(C)(C)C)cs1 ZINC000429724594 330126963 /nfs/dbraw/zinc/12/69/63/330126963.db2.gz PYKVNNIJXTZQEF-UHFFFAOYSA-N 1 1 295.496 3.380 20 30 CGEDMO C[C@@H]1C[C@H](C)[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000527238692 330240492 /nfs/dbraw/zinc/24/04/92/330240492.db2.gz OZMGINDRSCHYQG-OKILXGFUSA-N 1 1 258.365 3.352 20 30 CGEDMO C=CCCCCC[N@H+](C)CC(=O)NCc1ccc(F)cc1 ZINC000532968428 330323355 /nfs/dbraw/zinc/32/33/55/330323355.db2.gz ITHCUEVAYGBTLY-UHFFFAOYSA-N 1 1 292.398 3.120 20 30 CGEDMO C=C(C)C(C)(C)C(=O)Nc1nc2c(s1)C[N@H+](CC)CC2 ZINC000424574860 330384954 /nfs/dbraw/zinc/38/49/54/330384954.db2.gz ZAFYLGFLHILYNO-UHFFFAOYSA-N 1 1 293.436 3.062 20 30 CGEDMO C=C(C)C(C)(C)C(=O)Nc1nc2c(s1)C[N@@H+](CC)CC2 ZINC000424574860 330384955 /nfs/dbraw/zinc/38/49/55/330384955.db2.gz ZAFYLGFLHILYNO-UHFFFAOYSA-N 1 1 293.436 3.062 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000424575993 330385313 /nfs/dbraw/zinc/38/53/13/330385313.db2.gz YRHJQJKMVUXUAA-UHFFFAOYSA-N 1 1 280.456 3.360 20 30 CGEDMO N#CC1(C[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CCC1 ZINC000450846196 331002437 /nfs/dbraw/zinc/00/24/37/331002437.db2.gz OXOYFPWUOOZRKS-CABCVRRESA-N 1 1 292.329 3.078 20 30 CGEDMO Cc1cccc(Cl)c1C[NH+]1CCC(F)(C#N)CC1 ZINC000450970642 331009332 /nfs/dbraw/zinc/00/93/32/331009332.db2.gz DSIDARVKKYMGCX-UHFFFAOYSA-N 1 1 266.747 3.476 20 30 CGEDMO CC(C)(CO)[C@@H]([NH2+]CC1(C#N)CCC1)c1cccs1 ZINC000451036257 331012852 /nfs/dbraw/zinc/01/28/52/331012852.db2.gz HNCXUUFHAYGMCX-ZDUSSCGKSA-N 1 1 278.421 3.091 20 30 CGEDMO C=C(C)CN1C[C@@H](C)[N@H+](CC(=C)C)CC12CCCC2 ZINC000451339874 331024996 /nfs/dbraw/zinc/02/49/96/331024996.db2.gz KAAOOYQYDLFBHQ-MRXNPFEDSA-N 1 1 262.441 3.458 20 30 CGEDMO C=C(C)CN1CC2(CCCC2)[N@@H+](CC(=C)C)C[C@H]1C ZINC000451339874 331024998 /nfs/dbraw/zinc/02/49/98/331024998.db2.gz KAAOOYQYDLFBHQ-MRXNPFEDSA-N 1 1 262.441 3.458 20 30 CGEDMO C=C(C)CN1CC2(CCCC2)[N@H+](CC(=C)C)C[C@H]1C ZINC000451339874 331024999 /nfs/dbraw/zinc/02/49/99/331024999.db2.gz KAAOOYQYDLFBHQ-MRXNPFEDSA-N 1 1 262.441 3.458 20 30 CGEDMO C=CCCN1C[C@H](C)[N@H+](CCC=C)CC12CCCC2 ZINC000451346383 331025022 /nfs/dbraw/zinc/02/50/22/331025022.db2.gz UKDJGHRKGOKWII-INIZCTEOSA-N 1 1 262.441 3.458 20 30 CGEDMO C=CCCN1CC2(CCCC2)[N@@H+](CCC=C)C[C@@H]1C ZINC000451346383 331025023 /nfs/dbraw/zinc/02/50/23/331025023.db2.gz UKDJGHRKGOKWII-INIZCTEOSA-N 1 1 262.441 3.458 20 30 CGEDMO C=CCCN1CC2(CCCC2)[N@H+](CCC=C)C[C@@H]1C ZINC000451346383 331025024 /nfs/dbraw/zinc/02/50/24/331025024.db2.gz UKDJGHRKGOKWII-INIZCTEOSA-N 1 1 262.441 3.458 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)cc1F ZINC000191869849 331027018 /nfs/dbraw/zinc/02/70/18/331027018.db2.gz GRMFQCBZQVSJML-GFCCVEGCSA-N 1 1 286.272 3.472 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)cc1F ZINC000191869849 331027019 /nfs/dbraw/zinc/02/70/19/331027019.db2.gz GRMFQCBZQVSJML-GFCCVEGCSA-N 1 1 286.272 3.472 20 30 CGEDMO N#CCC[NH+]1CCC(Cc2cc(F)cc(F)c2)CC1 ZINC000451929594 331047409 /nfs/dbraw/zinc/04/74/09/331047409.db2.gz SYBYFDAMFOBREJ-UHFFFAOYSA-N 1 1 264.319 3.133 20 30 CGEDMO Cc1cc(F)ccc1[C@H]1CCC[N@H+]1CCOCCC#N ZINC000451985442 331049291 /nfs/dbraw/zinc/04/92/91/331049291.db2.gz IFMIHINSAFUDFM-MRXNPFEDSA-N 1 1 276.355 3.201 20 30 CGEDMO C=C(C)CC[N@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000452107720 331054327 /nfs/dbraw/zinc/05/43/27/331054327.db2.gz BZBKOHAFHMVSCP-UHFFFAOYSA-N 1 1 278.362 3.301 20 30 CGEDMO C=C(CC)C[NH2+][C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000453373433 331124490 /nfs/dbraw/zinc/12/44/90/331124490.db2.gz SOMAFGHANDSIPW-INIZCTEOSA-N 1 1 271.339 3.261 20 30 CGEDMO C=CC[C@H](CC)NC(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000455618468 331174118 /nfs/dbraw/zinc/17/41/18/331174118.db2.gz IYGGMVSOOMBPDM-LBPRGKRZSA-N 1 1 272.352 3.119 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459302448 331275391 /nfs/dbraw/zinc/27/53/91/331275391.db2.gz WSDIZLOGIZXXBA-UHFFFAOYSA-N 1 1 295.386 3.248 20 30 CGEDMO C=CCOc1ccc(C[NH2+]Cc2cnc(C)o2)cc1Cl ZINC000459680152 331293940 /nfs/dbraw/zinc/29/39/40/331293940.db2.gz UYPAMVXRPFPNLI-UHFFFAOYSA-N 1 1 292.766 3.491 20 30 CGEDMO CC(C)(CC#N)C[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC000459728304 331296277 /nfs/dbraw/zinc/29/62/77/331296277.db2.gz IOBNKTNFFOAUEO-UHFFFAOYSA-N 1 1 268.364 3.106 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@H](C)Cc1cccc(F)c1 ZINC000459773002 331299973 /nfs/dbraw/zinc/29/99/73/331299973.db2.gz VFUSVMGQJYJBSB-CJNGLKHVSA-N 1 1 265.372 3.016 20 30 CGEDMO CC(C)[N@@H+](CC#Cc1ccccc1Cl)[C@@H]1CCOC1 ZINC000463225240 331342981 /nfs/dbraw/zinc/34/29/81/331342981.db2.gz YGJOWPWGXAYHJG-OAHLLOKOSA-N 1 1 277.795 3.191 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCSC[C@H](C)C2)cc1 ZINC000488398548 332004024 /nfs/dbraw/zinc/00/40/24/332004024.db2.gz QDAUBVVEGJOTCE-CQSZACIVSA-N 1 1 277.433 3.436 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000489477152 332054972 /nfs/dbraw/zinc/05/49/72/332054972.db2.gz OAQHBHKTABKTIQ-BBRMVZONSA-N 1 1 290.382 3.043 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000489477152 332054973 /nfs/dbraw/zinc/05/49/73/332054973.db2.gz OAQHBHKTABKTIQ-BBRMVZONSA-N 1 1 290.382 3.043 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1ccccc1C(C)C ZINC000491166577 332160071 /nfs/dbraw/zinc/16/00/71/332160071.db2.gz SJWADEWJALLFHR-UHFFFAOYSA-N 1 1 272.392 3.092 20 30 CGEDMO C#CC(C)(C)[N@H+](C)CC(=O)Nc1ccccc1C(C)C ZINC000491166577 332160073 /nfs/dbraw/zinc/16/00/73/332160073.db2.gz SJWADEWJALLFHR-UHFFFAOYSA-N 1 1 272.392 3.092 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(CF)cc2)n1 ZINC000491243394 332173425 /nfs/dbraw/zinc/17/34/25/332173425.db2.gz WUULWPZKKMHLMW-UHFFFAOYSA-N 1 1 285.366 3.008 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)Cc2ccc(CF)cc2)n1 ZINC000491243394 332173426 /nfs/dbraw/zinc/17/34/26/332173426.db2.gz WUULWPZKKMHLMW-UHFFFAOYSA-N 1 1 285.366 3.008 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1ccc(C)cc1 ZINC000491393837 332203456 /nfs/dbraw/zinc/20/34/56/332203456.db2.gz FKHRSCMMOJJXKY-UHFFFAOYSA-N 1 1 298.386 3.257 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1ccc(C)cc1 ZINC000491393837 332203458 /nfs/dbraw/zinc/20/34/58/332203458.db2.gz FKHRSCMMOJJXKY-UHFFFAOYSA-N 1 1 298.386 3.257 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1cccc(C)c1 ZINC000491422312 332208907 /nfs/dbraw/zinc/20/89/07/332208907.db2.gz HHVYZSHFJUSKMC-UHFFFAOYSA-N 1 1 298.386 3.257 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1cccc(C)c1 ZINC000491422312 332208908 /nfs/dbraw/zinc/20/89/08/332208908.db2.gz HHVYZSHFJUSKMC-UHFFFAOYSA-N 1 1 298.386 3.257 20 30 CGEDMO C#CC[N@@H+](CCc1cncs1)[C@@H]1CCc2ccccc21 ZINC000491651799 332264969 /nfs/dbraw/zinc/26/49/69/332264969.db2.gz JEOIZVQDEWVBCB-QGZVFWFLSA-N 1 1 282.412 3.308 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000248823322 334318514 /nfs/dbraw/zinc/31/85/14/334318514.db2.gz WJCPVIMHFFNRMW-RYUDHWBXSA-N 1 1 279.346 3.224 20 30 CGEDMO C=C(CC)C[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000513368039 333015426 /nfs/dbraw/zinc/01/54/26/333015426.db2.gz TWIWPXQDCUJRTA-UHFFFAOYSA-N 1 1 262.372 3.304 20 30 CGEDMO Cc1cc(C)cc(OCCC[N@@H+](C)C[C@@H](C)C#N)c1 ZINC000513956805 333054759 /nfs/dbraw/zinc/05/47/59/333054759.db2.gz JZNCLJIAIJIRKY-HNNXBMFYSA-N 1 1 260.381 3.164 20 30 CGEDMO Cc1cc(C)cc(OCCC[N@H+](C)C[C@@H](C)C#N)c1 ZINC000513956805 333054760 /nfs/dbraw/zinc/05/47/60/333054760.db2.gz JZNCLJIAIJIRKY-HNNXBMFYSA-N 1 1 260.381 3.164 20 30 CGEDMO C=CCOc1cccc(CNC[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000521218717 333115434 /nfs/dbraw/zinc/11/54/34/333115434.db2.gz USIHWTJEGCHWIV-QGZVFWFLSA-N 1 1 288.435 3.071 20 30 CGEDMO C=CCOc1cccc(CNC[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000521218717 333115435 /nfs/dbraw/zinc/11/54/35/333115435.db2.gz USIHWTJEGCHWIV-QGZVFWFLSA-N 1 1 288.435 3.071 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000190969918 333212785 /nfs/dbraw/zinc/21/27/85/333212785.db2.gz FODUMPDSPNKOMG-WMLDXEAASA-N 1 1 280.456 3.215 20 30 CGEDMO CC[N@@H+](Cc1ccc(OCC2CC2)cc1)C[C@H](C)C#N ZINC000191254566 333217420 /nfs/dbraw/zinc/21/74/20/333217420.db2.gz QOQGVISCOPHEAV-CQSZACIVSA-N 1 1 272.392 3.457 20 30 CGEDMO CC[N@H+](Cc1ccc(OCC2CC2)cc1)C[C@H](C)C#N ZINC000191254566 333217422 /nfs/dbraw/zinc/21/74/22/333217422.db2.gz QOQGVISCOPHEAV-CQSZACIVSA-N 1 1 272.392 3.457 20 30 CGEDMO CS[C@@H]1CCCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000192120756 333230030 /nfs/dbraw/zinc/23/00/30/333230030.db2.gz SCVMHAXFDIEISL-MRXNPFEDSA-N 1 1 259.418 3.256 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](O)COc1c(C)ccc(C)c1C ZINC000523006070 333304423 /nfs/dbraw/zinc/30/44/23/333304423.db2.gz QFCYEHQFCJZRQD-QGZVFWFLSA-N 1 1 291.435 3.250 20 30 CGEDMO CO[C@H](C[NH2+]C[C@@H](C#N)CCC#N)c1ccc(Cl)cc1 ZINC000576064225 335148234 /nfs/dbraw/zinc/14/82/34/335148234.db2.gz BTONQIIFIHGCCR-IUODEOHRSA-N 1 1 291.782 3.061 20 30 CGEDMO C=CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000174940512 335169952 /nfs/dbraw/zinc/16/99/52/335169952.db2.gz FPQWXBMHHSEXOT-WBVHZDCISA-N 1 1 286.419 3.122 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000152644882 334099524 /nfs/dbraw/zinc/09/95/24/334099524.db2.gz ODGQXSGFGLHTPS-GFCCVEGCSA-N 1 1 262.422 3.387 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000135174825 334118890 /nfs/dbraw/zinc/11/88/90/334118890.db2.gz FQRQANYKHGPPNB-HDMKZQKVSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCOCC[N@@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000549865878 334207369 /nfs/dbraw/zinc/20/73/69/334207369.db2.gz XWRZHNCRNCXAIR-RDJZCZTQSA-N 1 1 259.393 3.142 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@H]1CCCC[N@@H+]1CCCC ZINC000549957743 334210346 /nfs/dbraw/zinc/21/03/46/334210346.db2.gz HGGAJVNNISNZQB-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO CC[C@@H]1CC[N@H+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)C1 ZINC000246280426 334248293 /nfs/dbraw/zinc/24/82/93/334248293.db2.gz SWBKGBPFKBMPIA-HZPDHXFCSA-N 1 1 299.418 3.054 20 30 CGEDMO Cc1cc(C[NH2+]C[C@H](C)C#N)ccc1Br ZINC000085706925 334294241 /nfs/dbraw/zinc/29/42/41/334294241.db2.gz XMBUTAKVAWSMRQ-SECBINFHSA-N 1 1 267.170 3.007 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000552343447 334319076 /nfs/dbraw/zinc/31/90/76/334319076.db2.gz BLYCVBRXCJMNTA-MRXNPFEDSA-N 1 1 257.377 3.483 20 30 CGEDMO CC[C@](C)([NH2+]Cc1cc(C#N)cs1)c1nccs1 ZINC000177704656 335380281 /nfs/dbraw/zinc/38/02/81/335380281.db2.gz GELHXJPTSSBSRJ-ZDUSSCGKSA-N 1 1 277.418 3.491 20 30 CGEDMO CC[C@@H]([NH2+]Cc1cc(C#N)ccc1OC)c1c(C)noc1C ZINC000182487000 335823570 /nfs/dbraw/zinc/82/35/70/335823570.db2.gz KLWXNFSHZYBFBH-OAHLLOKOSA-N 1 1 299.374 3.413 20 30 CGEDMO N#CCC[NH+]1CCC(c2ccnc3ccccc32)CC1 ZINC000579727656 335874968 /nfs/dbraw/zinc/87/49/68/335874968.db2.gz SVYRKZGCXAPEHW-UHFFFAOYSA-N 1 1 265.360 3.328 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCc1ccncc1 ZINC000194973235 336041425 /nfs/dbraw/zinc/04/14/25/336041425.db2.gz AATFBSAUXJDRHB-CQSZACIVSA-N 1 1 265.360 3.189 20 30 CGEDMO C=CCCCC[N@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000581984594 336184756 /nfs/dbraw/zinc/18/47/56/336184756.db2.gz OTBQISCKYJMCJF-SJORKVTESA-N 1 1 277.383 3.143 20 30 CGEDMO COc1ccc(C[C@H]2CCC[N@@H+](CC3(C#N)CC3)C2)cc1 ZINC000347479796 533806887 /nfs/dbraw/zinc/80/68/87/533806887.db2.gz MXLOJKKNMBTNLM-MRXNPFEDSA-N 1 1 284.403 3.253 20 30 CGEDMO C[C@@H]1CCC[C@H](C)[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000444220199 533825248 /nfs/dbraw/zinc/82/52/48/533825248.db2.gz BHTFXIMTWDKZNH-CABCVRRESA-N 1 1 299.418 3.397 20 30 CGEDMO C[C@@H]1CC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CC12CCC2 ZINC000329151218 534021866 /nfs/dbraw/zinc/02/18/66/534021866.db2.gz SGODRSFGSAVHIM-CJNGLKHVSA-N 1 1 289.423 3.147 20 30 CGEDMO C[C@@H](CN[C@H]1CCCCc2cc(C#N)ccc21)C[NH+](C)C ZINC000425938566 534084743 /nfs/dbraw/zinc/08/47/43/534084743.db2.gz QJHYUHIFODOTQZ-KSSFIOAISA-N 1 1 285.435 3.113 20 30 CGEDMO C[C@@H](C[NH2+][C@H]1CCCCc2cc(C#N)ccc21)CN(C)C ZINC000425938566 534084753 /nfs/dbraw/zinc/08/47/53/534084753.db2.gz QJHYUHIFODOTQZ-KSSFIOAISA-N 1 1 285.435 3.113 20 30 CGEDMO CC[C@H](C)[C@H](C)[N@@H+](Cc1cc(C#N)n(C)c1)C1CC1 ZINC000191330198 535933544 /nfs/dbraw/zinc/93/35/44/535933544.db2.gz RGVQZKRBTTXBKM-STQMWFEESA-N 1 1 259.397 3.296 20 30 CGEDMO Cc1ccc2nc(C[NH2+]CC(C)(C)CCC#N)[nH]c2c1 ZINC000344726538 534502283 /nfs/dbraw/zinc/50/22/83/534502283.db2.gz IWJJDKMCXZNGNL-UHFFFAOYSA-N 1 1 270.380 3.291 20 30 CGEDMO Cc1sc(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c(C#N)c1C ZINC000123360438 534612292 /nfs/dbraw/zinc/61/22/92/534612292.db2.gz PPTIAZLLKFAAGH-NXEZZACHSA-N 1 1 291.420 3.048 20 30 CGEDMO N#CCc1ccc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)cc1 ZINC000352230214 534718216 /nfs/dbraw/zinc/71/82/16/534718216.db2.gz JDZURXRZVQVIOM-QGZVFWFLSA-N 1 1 280.375 3.203 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)cc1 ZINC000352230214 534718228 /nfs/dbraw/zinc/71/82/28/534718228.db2.gz JDZURXRZVQVIOM-QGZVFWFLSA-N 1 1 280.375 3.203 20 30 CGEDMO Cc1cccc([C@H]2CCC[N@@H+]2CC2(C#N)CCC2)n1 ZINC000336190648 534764475 /nfs/dbraw/zinc/76/44/75/534764475.db2.gz KSYJOLOINNGCNR-OAHLLOKOSA-N 1 1 255.365 3.221 20 30 CGEDMO Cc1cccc([C@H]2CCC[N@H+]2CC2(C#N)CCC2)n1 ZINC000336190648 534764477 /nfs/dbraw/zinc/76/44/77/534764477.db2.gz KSYJOLOINNGCNR-OAHLLOKOSA-N 1 1 255.365 3.221 20 30 CGEDMO C=CC[N@H+](CC[C@@H](C)F)Cc1ccc(OC)cc1 ZINC000351909568 526307396 /nfs/dbraw/zinc/30/73/96/526307396.db2.gz OMSVIOLYJYUWSS-CYBMUJFWSA-N 1 1 251.345 3.431 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+](Cc1cccs1)C(C)C ZINC000353710131 526520080 /nfs/dbraw/zinc/52/00/80/526520080.db2.gz LHUPTLKFOADUOJ-UHFFFAOYSA-N 1 1 294.464 3.383 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H](C)CC ZINC000352799827 526558515 /nfs/dbraw/zinc/55/85/15/526558515.db2.gz MXKFYDOBAMJUOQ-ZDUSSCGKSA-N 1 1 251.370 3.196 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)CCCCOC)cc1 ZINC000352096803 526861072 /nfs/dbraw/zinc/86/10/72/526861072.db2.gz KJECNMDOCNNDIT-UHFFFAOYSA-N 1 1 263.381 3.110 20 30 CGEDMO C=CCC[C@@H](NC[C@H]1CCC[N@H+]1CC)c1ccco1 ZINC000353443999 527448753 /nfs/dbraw/zinc/44/87/53/527448753.db2.gz FEBQCSOXNZMCOB-HUUCEWRRSA-N 1 1 262.397 3.361 20 30 CGEDMO C=CCC[C@@H](NC[C@H]1CCC[N@@H+]1CC)c1ccco1 ZINC000353443999 527448763 /nfs/dbraw/zinc/44/87/63/527448763.db2.gz FEBQCSOXNZMCOB-HUUCEWRRSA-N 1 1 262.397 3.361 20 30 CGEDMO CC(C)[C@H]1CCC[N@H+](Cc2nc(C#N)cs2)CC1 ZINC000356101096 527777461 /nfs/dbraw/zinc/77/74/61/527777461.db2.gz BUVYGIKCFIYTRT-LBPRGKRZSA-N 1 1 263.410 3.273 20 30 CGEDMO CC(C)[C@H]1CCC[N@@H+](Cc2nc(C#N)cs2)CC1 ZINC000356101096 527777463 /nfs/dbraw/zinc/77/74/63/527777463.db2.gz BUVYGIKCFIYTRT-LBPRGKRZSA-N 1 1 263.410 3.273 20 30 CGEDMO CCN1CC[C@H]([N@H+](C)CC(C)(C)CCC#N)C[C@H]1C ZINC000353769309 527831879 /nfs/dbraw/zinc/83/18/79/527831879.db2.gz RFWGMMXXDBMWKP-CABCVRRESA-N 1 1 265.445 3.121 20 30 CGEDMO CCN1CC[C@H]([N@@H+](C)CC(C)(C)CCC#N)C[C@H]1C ZINC000353769309 527831882 /nfs/dbraw/zinc/83/18/82/527831882.db2.gz RFWGMMXXDBMWKP-CABCVRRESA-N 1 1 265.445 3.121 20 30 CGEDMO CC1(C)[C@@H]2C[N@H+](Cc3ccc(C#N)cc3OC(F)F)C[C@@H]21 ZINC000437906509 527850699 /nfs/dbraw/zinc/85/06/99/527850699.db2.gz DRJXRCIAMFVSCR-BETUJISGSA-N 1 1 292.329 3.247 20 30 CGEDMO CC(C)C[C@@H](C[NH+]1CCCC1)NCc1ccc(C#N)cc1 ZINC000449386764 528315248 /nfs/dbraw/zinc/31/52/48/528315248.db2.gz UVNCRIJLYFVLIM-SFHVURJKSA-N 1 1 285.435 3.158 20 30 CGEDMO CC[N@@H+](CCC#N)CC[C@H](C)OCc1ccccc1 ZINC000354840480 528375308 /nfs/dbraw/zinc/37/53/08/528375308.db2.gz DMBJLDDEYROYPN-HNNXBMFYSA-N 1 1 260.381 3.217 20 30 CGEDMO CC[N@H+](CCSc1ccccc1F)C[C@H](C)C#N ZINC000353281890 528584699 /nfs/dbraw/zinc/58/46/99/528584699.db2.gz DHQNRHBPGGXJMV-GFCCVEGCSA-N 1 1 266.385 3.399 20 30 CGEDMO CC[N@@H+](CCSc1ccccc1F)C[C@H](C)C#N ZINC000353281890 528584706 /nfs/dbraw/zinc/58/47/06/528584706.db2.gz DHQNRHBPGGXJMV-GFCCVEGCSA-N 1 1 266.385 3.399 20 30 CGEDMO CCS[C@H]1CC[C@H]([N@H+](C)Cc2nc(C#N)cs2)C1 ZINC000356108359 529234586 /nfs/dbraw/zinc/23/45/86/529234586.db2.gz INYDWMMEITVEPA-RYUDHWBXSA-N 1 1 281.450 3.121 20 30 CGEDMO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2nc(C#N)cs2)C1 ZINC000356108359 529234587 /nfs/dbraw/zinc/23/45/87/529234587.db2.gz INYDWMMEITVEPA-RYUDHWBXSA-N 1 1 281.450 3.121 20 30 CGEDMO CC[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)N1CCCC1 ZINC000358567859 529370701 /nfs/dbraw/zinc/37/07/01/529370701.db2.gz KCJIIFKMNZQZJW-UKRRQHHQSA-N 1 1 289.398 3.222 20 30 CGEDMO CC[C@H](C)C[N@@H+](C)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000111255074 536123286 /nfs/dbraw/zinc/12/32/86/536123286.db2.gz BAORNBQOBFONAW-JQWIXIFHSA-N 1 1 291.395 3.073 20 30 CGEDMO N#CCOc1ccc(C[N@@H+](C2CC2)C2CCCC2)cc1 ZINC000731210373 572400876 /nfs/dbraw/zinc/40/08/76/572400876.db2.gz IVVJSZANHMGLLJ-UHFFFAOYSA-N 1 1 270.376 3.496 20 30 CGEDMO CC(C)[N@H+](Cc1ccc(OCC#N)cc1)CC1CC1 ZINC000731211717 572402070 /nfs/dbraw/zinc/40/20/70/572402070.db2.gz XHVQNDIZHCMNEG-UHFFFAOYSA-N 1 1 258.365 3.209 20 30 CGEDMO C[C@@H]1C[C@@H](/N=C/c2c(O)ccc3ccccc32)CC[N@H+]1C ZINC000741463322 572412484 /nfs/dbraw/zinc/41/24/84/572412484.db2.gz DCHNZJHDLANYMT-QYCYQRASSA-N 1 1 282.387 3.447 20 30 CGEDMO COc1ccc(COCC[N@@H+](CCC#N)CC(C)C)cc1 ZINC000739914247 572427056 /nfs/dbraw/zinc/42/70/56/572427056.db2.gz GCEGPSBWVMGOFW-UHFFFAOYSA-N 1 1 290.407 3.083 20 30 CGEDMO C=CC[N@@H+](CC1CCCCC1)[C@@H](C)C(=O)OCCC ZINC000741786524 572527890 /nfs/dbraw/zinc/52/78/90/572527890.db2.gz BOEWGLZHBGPFAL-AWEZNQCLSA-N 1 1 267.413 3.396 20 30 CGEDMO N#CCOc1ccc(Cl)cc1C[NH+]1CCCCC1 ZINC000735304352 572714589 /nfs/dbraw/zinc/71/45/89/572714589.db2.gz GRJSKYAMLBBRRV-UHFFFAOYSA-N 1 1 264.756 3.228 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)Cc1ccccc1OC ZINC000746156690 572857855 /nfs/dbraw/zinc/85/78/55/572857855.db2.gz MSLDIMNNCRSYDD-UHFFFAOYSA-N 1 1 265.356 3.331 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccccc1OC ZINC000746156690 572857858 /nfs/dbraw/zinc/85/78/58/572857858.db2.gz MSLDIMNNCRSYDD-UHFFFAOYSA-N 1 1 265.356 3.331 20 30 CGEDMO C=CC1CC[NH+](Cc2cccc(Br)n2)CC1 ZINC000779438472 628412981 /nfs/dbraw/zinc/41/29/81/628412981.db2.gz XFUFVIOFHRRSLL-UHFFFAOYSA-N 1 1 281.197 3.242 20 30 CGEDMO C=CCCC[C@@H](C)[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823894063 608383771 /nfs/dbraw/zinc/38/37/71/608383771.db2.gz GNVCJBFSRKNNEF-CYBMUJFWSA-N 1 1 285.395 3.043 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)[C@@]2(C)CC=CCC2)CC1 ZINC000981233441 613253680 /nfs/dbraw/zinc/25/36/80/613253680.db2.gz RDTUINLTCOOXQD-SFHVURJKSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2CC(C)C)CC1 ZINC000981999406 613253720 /nfs/dbraw/zinc/25/37/20/613253720.db2.gz WOLFETAQRQOYPQ-IAGOWNOFSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2CC=CC2)C(C)(C)C1 ZINC000940643357 613265906 /nfs/dbraw/zinc/26/59/06/613265906.db2.gz UODKKFJIQJCELW-MRXNPFEDSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2CC3(CC3)C2)C[C@@H]1C ZINC000947701435 613265984 /nfs/dbraw/zinc/26/59/84/613265984.db2.gz BRPLOVMDUBQIKA-GOEBONIOSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2(C)CC(=C)C2)C[C@H]1C ZINC000947702101 613270618 /nfs/dbraw/zinc/27/06/18/613270618.db2.gz JOLPXPABKQBJDX-CVEARBPZSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C)o2)C[C@H]1C ZINC000947025523 613271730 /nfs/dbraw/zinc/27/17/30/613271730.db2.gz FLFMMWZNDIQVIB-HIFRSBDPSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2csc(C)c2C)C1 ZINC000971599549 613287350 /nfs/dbraw/zinc/28/73/50/613287350.db2.gz MKWYETCQCJLBBE-CQSZACIVSA-N 1 1 292.448 3.087 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)C1CC2(CC2)C1 ZINC000969017105 613306155 /nfs/dbraw/zinc/30/61/55/613306155.db2.gz DKYYBEOTKMDGHO-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)C1CCCC1 ZINC000968729429 613306806 /nfs/dbraw/zinc/30/68/06/613306806.db2.gz FPGPODLUVPCWQF-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)c1occc1C ZINC000968750179 613307369 /nfs/dbraw/zinc/30/73/69/613307369.db2.gz GSEXWNNYFOPGLD-HNNXBMFYSA-N 1 1 290.407 3.139 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)C[C@H]2CCCCC2(C)C)CC1 ZINC000957946602 613316698 /nfs/dbraw/zinc/31/66/98/613316698.db2.gz YLOZGJRWVNEUEW-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C(C)=C2CCC2)C[C@@H]1C ZINC000947301823 613327017 /nfs/dbraw/zinc/32/70/17/613327017.db2.gz ZMUGPKKYRJEJDW-XJKSGUPXSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C2CCC2)C[C@H]1C ZINC000947582254 613334439 /nfs/dbraw/zinc/33/44/39/613334439.db2.gz ZKOQYGVELWNPLW-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C2C(C)(C)C2(C)C)[C@@H](C)C1 ZINC000941934024 613334659 /nfs/dbraw/zinc/33/46/59/613334659.db2.gz FBVFXOBLCNAXBB-KBPBESRZSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC2CCCC2)C[C@H]1C ZINC000947000247 613334939 /nfs/dbraw/zinc/33/49/39/613334939.db2.gz GMUGHGKNDQWNRH-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2CCC(=C)CC2)C[C@@H]1C ZINC000947686006 613334973 /nfs/dbraw/zinc/33/49/73/613334973.db2.gz RRMHDDBYKKWWMO-RDJZCZTQSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cc(C)cs2)C(C)(C)C1 ZINC000974570834 613338609 /nfs/dbraw/zinc/33/86/09/613338609.db2.gz UENIRYIORSFHHZ-CQSZACIVSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(C(C)C)c1 ZINC000962190538 613345756 /nfs/dbraw/zinc/34/57/56/613345756.db2.gz ARTCQWQLUFFCLZ-PIIMJCKOSA-N 1 1 298.430 3.046 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2)C[C@@H]1C ZINC000947005557 613376734 /nfs/dbraw/zinc/37/67/34/613376734.db2.gz QNZOCKKPZFEWKO-DZGCQCFKSA-N 1 1 292.810 3.022 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2)C[C@@H]1C ZINC000947005557 613376735 /nfs/dbraw/zinc/37/67/35/613376735.db2.gz QNZOCKKPZFEWKO-DZGCQCFKSA-N 1 1 292.810 3.022 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CC(C)(C)C2)[C@@H](C)C1 ZINC000942019520 613378307 /nfs/dbraw/zinc/37/83/07/613378307.db2.gz FCBLHJLTVLKCPK-FZMZJTMJSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CC(C)(C)C2)[C@@H](C)C1 ZINC000942019520 613378308 /nfs/dbraw/zinc/37/83/08/613378308.db2.gz FCBLHJLTVLKCPK-FZMZJTMJSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](CC=C(C)C)C[C@H]2C)C1 ZINC000942607453 613397459 /nfs/dbraw/zinc/39/74/59/613397459.db2.gz FWUDVOIXQJGIJV-HZPDHXFCSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)c2sccc2CC)C1 ZINC000957418376 613481538 /nfs/dbraw/zinc/48/15/38/613481538.db2.gz FCXQNAICPIERGB-UHFFFAOYSA-N 1 1 292.448 3.033 20 30 CGEDMO C=C[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CC(=C)C)C1)c1ccccc1 ZINC000980463200 613481677 /nfs/dbraw/zinc/48/16/77/613481677.db2.gz UGMREJFISQHECO-MSOLQXFVSA-N 1 1 298.430 3.065 20 30 CGEDMO C=CCC[N@H+]1CCCC2(CN(C(=O)C3CCCCC3)C2)C1 ZINC000981592944 613488440 /nfs/dbraw/zinc/48/84/40/613488440.db2.gz KXSCRUHVMCWIFQ-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC1(C)C ZINC000968994254 613490579 /nfs/dbraw/zinc/49/05/79/613490579.db2.gz RIFLWYDZZIPBEX-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)C2(C)CCCCC2)CC1 ZINC000981867674 613491952 /nfs/dbraw/zinc/49/19/52/613491952.db2.gz DAYXYFRZKBPYRD-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C(C)C)CC2)C1 ZINC000961328564 613498746 /nfs/dbraw/zinc/49/87/46/613498746.db2.gz CBLKTOGBMPMCEU-QGZVFWFLSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccccc2)CC1 ZINC000948148557 613500419 /nfs/dbraw/zinc/50/04/19/613500419.db2.gz ABAZTVXUNADHOO-QGZVFWFLSA-N 1 1 286.419 3.189 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)CC2CCCC2)CC1 ZINC000948152931 613500948 /nfs/dbraw/zinc/50/09/48/613500948.db2.gz WQBIQYSDQLJEMZ-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2CCC2)C1 ZINC000963246070 613501383 /nfs/dbraw/zinc/50/13/83/613501383.db2.gz HAZGBHRJRFEXFX-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C=C(C)C)C1 ZINC000963248354 613501668 /nfs/dbraw/zinc/50/16/68/613501668.db2.gz BEPOHYWRROXAEJ-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2CCCCCC2)C1 ZINC000965475888 613517150 /nfs/dbraw/zinc/51/71/50/613517150.db2.gz KRKHUHUNYBJAEX-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)C2CCC2)[C@@H](C)C1 ZINC000942535804 613518459 /nfs/dbraw/zinc/51/84/59/613518459.db2.gz ONEZYAVSQDMHBL-GOEBONIOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C=C)cc2)[C@@H](C)C1 ZINC000942897273 613523618 /nfs/dbraw/zinc/52/36/18/613523618.db2.gz VZDOQESYJVWKSM-MAUKXSAKSA-N 1 1 298.430 3.346 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)cc2)C[C@@H]1C ZINC000947971523 613523724 /nfs/dbraw/zinc/52/37/24/613523724.db2.gz OHXXTAVQIKBUNW-DOTOQJQBSA-N 1 1 286.419 3.154 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(C=C)cc2)C1 ZINC000968345366 613530198 /nfs/dbraw/zinc/53/01/98/613530198.db2.gz KJHJYEUBUQHRQV-YJBOKZPZSA-N 1 1 298.430 3.346 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)C(F)=C2CCCC2)[C@@H](C)C1 ZINC000941955430 613533280 /nfs/dbraw/zinc/53/32/80/613533280.db2.gz NIZZMIORUBSUGY-ZFWWWQNUSA-N 1 1 294.414 3.187 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC000980565994 613612870 /nfs/dbraw/zinc/61/28/70/613612870.db2.gz GVDFKVDMGWOMHH-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)c2cccc(C3CCC3)c2)C1 ZINC000972727107 613621240 /nfs/dbraw/zinc/62/12/40/613621240.db2.gz AKYPYQDWFAYJNA-GOSISDBHSA-N 1 1 298.430 3.286 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)CC2CCCC2)C1 ZINC000972471221 613630808 /nfs/dbraw/zinc/63/08/08/613630808.db2.gz CJVOAZSOVDGNQO-IRXDYDNUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(C3CCC3)cc2)C1 ZINC000971640786 613636960 /nfs/dbraw/zinc/63/69/60/613636960.db2.gz IRLGQFUFVPZWKD-SFHVURJKSA-N 1 1 298.430 3.286 20 30 CGEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)c3cccc(C)c3C)C2)C1 ZINC000982136513 613681979 /nfs/dbraw/zinc/68/19/79/613681979.db2.gz MLVGRECSPPSUNY-UHFFFAOYSA-N 1 1 298.430 3.027 20 30 CGEDMO C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)C1CCC(=C)CC1 ZINC000969014357 613683051 /nfs/dbraw/zinc/68/30/51/613683051.db2.gz YRZJCANTZBAELF-QGZVFWFLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C1CCC(F)CC1 ZINC000969014375 613683476 /nfs/dbraw/zinc/68/34/76/613683476.db2.gz ZHTKQAITFLIHQD-UYSNPLJNSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC000968946809 613686064 /nfs/dbraw/zinc/68/60/64/613686064.db2.gz IHESAXFGHFFNPE-ARFHVFGLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccoc1CC ZINC000968837377 613687075 /nfs/dbraw/zinc/68/70/75/613687075.db2.gz NADGXZRCDLOPFU-AWEZNQCLSA-N 1 1 290.407 3.002 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)c2ccccc2C(C)C)CC1 ZINC000981287055 613698231 /nfs/dbraw/zinc/69/82/31/613698231.db2.gz ZONQMNPQZXFQEX-UHFFFAOYSA-N 1 1 286.419 3.144 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC2(C)C)CC1 ZINC000948692426 613701655 /nfs/dbraw/zinc/70/16/55/613701655.db2.gz CIMVGJRVBZTIIO-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccc(C=C)cc2)CC1 ZINC000948800591 613702480 /nfs/dbraw/zinc/70/24/80/613702480.db2.gz UZCJDEAQYZTLQP-GOSISDBHSA-N 1 1 298.430 3.442 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)C2(C)CCCC2)CC1 ZINC000948662296 613704060 /nfs/dbraw/zinc/70/40/60/613704060.db2.gz VJLLYOQRTOGDTN-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C23CCC(CC2)CC3)C[C@H]1C ZINC000948071130 613741010 /nfs/dbraw/zinc/74/10/10/613741010.db2.gz VPCHKSJQYRUKLM-JBCIKUTRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)CC2CCCCCC2)C1 ZINC000968365275 613767376 /nfs/dbraw/zinc/76/73/76/613767376.db2.gz MCQIIEFGZQBCPA-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)C2CCCCCCC2)C(C)(C)C1 ZINC000974805923 613805993 /nfs/dbraw/zinc/80/59/93/613805993.db2.gz ZFZJPUIROVLIBF-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)C2CC(C(C)(C)C)C2)C(C)(C)C1 ZINC000977650430 613826613 /nfs/dbraw/zinc/82/66/13/613826613.db2.gz DVBKLALXYUBBAR-NRXISQOPSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccccc3C)C[C@@H]2C1 ZINC000979483937 613834162 /nfs/dbraw/zinc/83/41/62/613834162.db2.gz YXWYRZIIIPXOQG-GVDBMIGSSA-N 1 1 298.430 3.011 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000899510786 620704950 /nfs/dbraw/zinc/70/49/50/620704950.db2.gz DRIMWVPWYBJMKX-UHFFFAOYSA-N 1 1 289.423 3.335 20 30 CGEDMO C#CC[N@H+](CCCCCCO)[C@H]1CCc2ccccc21 ZINC000175751296 617677129 /nfs/dbraw/zinc/67/71/29/617677129.db2.gz CSFHMWCYTGWZJH-SFHVURJKSA-N 1 1 271.404 3.162 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC2CCCC2)C1 ZINC001021508139 618016821 /nfs/dbraw/zinc/01/68/21/618016821.db2.gz GBZDCBIQALUYAK-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccccc2C)C1 ZINC001021510301 618017925 /nfs/dbraw/zinc/01/79/25/618017925.db2.gz YDTGZZRJTRWONJ-WMZOPIPTSA-N 1 1 298.430 3.108 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)/C(C)=C\C)C1 ZINC001021555348 618039693 /nfs/dbraw/zinc/03/96/93/618039693.db2.gz UBWSIQMXTUJXAB-XIENNYHASA-N 1 1 290.451 3.232 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCC[C@H](C3CCOCC3)C2)CC1 ZINC000933086532 618143203 /nfs/dbraw/zinc/14/32/03/618143203.db2.gz BZNREFDCTKYRGJ-HTWSVDAQSA-N 1 1 290.451 3.455 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CC[C@@H](Cc2nc(C)cs2)C1 ZINC000933126814 618159050 /nfs/dbraw/zinc/15/90/50/618159050.db2.gz RQHMCZSXBOSFKD-OLZOCXBDSA-N 1 1 250.411 3.281 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CC[C@H](Cc3nccs3)C2)cc1 ZINC000934332220 618595416 /nfs/dbraw/zinc/59/54/16/618595416.db2.gz QGFBXLLIAXNRIU-MRXNPFEDSA-N 1 1 297.427 3.274 20 30 CGEDMO C#CCCCCC[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000934332294 618595859 /nfs/dbraw/zinc/59/58/59/618595859.db2.gz QQRHPOMGJLAMEE-AWEZNQCLSA-N 1 1 262.422 3.201 20 30 CGEDMO Cc1cc(C[N@H+]2CC[C@@H](Cc3nccs3)C2)ccc1C#N ZINC000934333732 618597477 /nfs/dbraw/zinc/59/74/77/618597477.db2.gz QQEAAHAFOZQKAY-HNNXBMFYSA-N 1 1 297.427 3.388 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000934461147 618624837 /nfs/dbraw/zinc/62/48/37/618624837.db2.gz VZPPEHDBZHAWBS-INIZCTEOSA-N 1 1 265.360 3.294 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1[C@@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000934464549 618625622 /nfs/dbraw/zinc/62/56/22/618625622.db2.gz JIOXPCDAMMGPOH-KBPBESRZSA-N 1 1 291.395 3.131 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1[C@@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000934464549 618625625 /nfs/dbraw/zinc/62/56/25/618625625.db2.gz JIOXPCDAMMGPOH-KBPBESRZSA-N 1 1 291.395 3.131 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000934469495 618626679 /nfs/dbraw/zinc/62/66/79/618626679.db2.gz DIZAPRODYNFKPA-SFHVURJKSA-N 1 1 298.430 3.463 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1cccc(SC)c1 ZINC000934472639 618628164 /nfs/dbraw/zinc/62/81/64/618628164.db2.gz OTZOOUUJVBMEFN-JSGCOSHPSA-N 1 1 290.432 3.386 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1cccc(SC)c1 ZINC000934472639 618628165 /nfs/dbraw/zinc/62/81/65/618628165.db2.gz OTZOOUUJVBMEFN-JSGCOSHPSA-N 1 1 290.432 3.386 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000934473674 618628712 /nfs/dbraw/zinc/62/87/12/618628712.db2.gz ZXDSQMNYJVLRSS-JSGCOSHPSA-N 1 1 269.348 3.448 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000934473674 618628716 /nfs/dbraw/zinc/62/87/16/618628716.db2.gz ZXDSQMNYJVLRSS-JSGCOSHPSA-N 1 1 269.348 3.448 20 30 CGEDMO C=CCCC[N@@H+](CC)Cc1nc(Cc2ccccc2)no1 ZINC000934648566 618664914 /nfs/dbraw/zinc/66/49/14/618664914.db2.gz CPHDCQOIVPYRBX-UHFFFAOYSA-N 1 1 285.391 3.449 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1nc(Cc2ccccc2)no1 ZINC000934648566 618664916 /nfs/dbraw/zinc/66/49/16/618664916.db2.gz CPHDCQOIVPYRBX-UHFFFAOYSA-N 1 1 285.391 3.449 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000934830627 618700113 /nfs/dbraw/zinc/70/01/13/618700113.db2.gz GFCFSZNNPAAFJX-ZGUYJTEBSA-N 1 1 290.451 3.455 20 30 CGEDMO CC([NH2+]Nc1ccnc(Br)c1)=C1CC1(F)F ZINC000841630945 618701364 /nfs/dbraw/zinc/70/13/64/618701364.db2.gz AJSUZCUWPPRWNM-QMMMGPOBSA-N 1 1 290.111 3.287 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@@H](OCC)C2)cc1 ZINC000155459662 618703550 /nfs/dbraw/zinc/70/35/50/618703550.db2.gz HLHFEXBEBXOLDA-GOSISDBHSA-N 1 1 287.403 3.090 20 30 CGEDMO C#CCOc1ccccc1NC(=O)C1=C(C)[N@@H+](C(C)C)CC1 ZINC000935467718 618809798 /nfs/dbraw/zinc/80/97/98/618809798.db2.gz HCMFIVHEFLOMTG-UHFFFAOYSA-N 1 1 298.386 3.025 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[C@@H]1CC ZINC001018120498 618893165 /nfs/dbraw/zinc/89/31/65/618893165.db2.gz UPJFSRALIMPFIG-NXOAAHMSSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[C@@H]1CC ZINC001018120498 618893168 /nfs/dbraw/zinc/89/31/68/618893168.db2.gz UPJFSRALIMPFIG-NXOAAHMSSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(Br)C[NH2+][C@H](c1cnn(C)c1)C(C)(C)C ZINC000309597881 618928082 /nfs/dbraw/zinc/92/80/82/618928082.db2.gz VJBOJAOIRORURT-LLVKDONJSA-N 1 1 286.217 3.006 20 30 CGEDMO C=CC[C@@H]1[N@@H+](CCC(OC)OC)CCCC1(C)C ZINC000851990561 618941023 /nfs/dbraw/zinc/94/10/23/618941023.db2.gz UQTIGNJXQGDXDJ-ZDUSSCGKSA-N 1 1 255.402 3.062 20 30 CGEDMO C[C@@H]1[C@H](N2CCCC2)CC[N@@H+]1CCCCC1(C#N)CCC1 ZINC000930482126 619001428 /nfs/dbraw/zinc/00/14/28/619001428.db2.gz KKLNFHMAEVYKTQ-IAGOWNOFSA-N 1 1 289.467 3.409 20 30 CGEDMO C[C@@H]1[C@H](N2CCCC2)CC[N@H+]1CCCCC1(C#N)CCC1 ZINC000930482126 619001430 /nfs/dbraw/zinc/00/14/30/619001430.db2.gz KKLNFHMAEVYKTQ-IAGOWNOFSA-N 1 1 289.467 3.409 20 30 CGEDMO C#CCOc1ccccc1C[NH2+][C@@H](C)c1c(C)noc1C ZINC000092326538 619052546 /nfs/dbraw/zinc/05/25/46/619052546.db2.gz SBDDPAPWMXYICI-LBPRGKRZSA-N 1 1 284.359 3.154 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)[C@@H]1CCO ZINC000930970974 619096630 /nfs/dbraw/zinc/09/66/30/619096630.db2.gz MHQMMBPHLXDELW-HZPDHXFCSA-N 1 1 278.440 3.333 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+](CCC#N)CC2CC2)cc1 ZINC000093091362 619165616 /nfs/dbraw/zinc/16/56/16/619165616.db2.gz JTTRPMYOCARDIC-CQSZACIVSA-N 1 1 283.375 3.103 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](CCC#N)CC2CC2)cc1 ZINC000093091362 619165618 /nfs/dbraw/zinc/16/56/18/619165618.db2.gz JTTRPMYOCARDIC-CQSZACIVSA-N 1 1 283.375 3.103 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)s2)C1 ZINC001009419205 619175290 /nfs/dbraw/zinc/17/52/90/619175290.db2.gz RAISUEYEEVLDKM-LLVKDONJSA-N 1 1 298.839 3.172 20 30 CGEDMO CCCCCCC[C@H](C)CNC(=O)c1csc(C[NH3+])n1 ZINC000178444405 619194849 /nfs/dbraw/zinc/19/48/49/619194849.db2.gz LVOLQBNMGKEWBZ-LBPRGKRZSA-N 1 1 297.468 3.328 20 30 CGEDMO C=CC[N@H+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000178465182 619209848 /nfs/dbraw/zinc/20/98/48/619209848.db2.gz PBLFQKPJYIDBBK-CYBMUJFWSA-N 1 1 270.417 3.044 20 30 CGEDMO CC[C@H](c1ccc(C#N)cc1)N1CCC([NH3+])(CC)CC1 ZINC000925757328 619220999 /nfs/dbraw/zinc/22/09/99/619220999.db2.gz FNQUMMGFYMHCHN-MRXNPFEDSA-N 1 1 271.408 3.213 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000931753050 619249041 /nfs/dbraw/zinc/24/90/41/619249041.db2.gz PEHSVLPWLQHTIM-ZBFHGGJFSA-N 1 1 290.794 3.213 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)cc1 ZINC000840954980 619261212 /nfs/dbraw/zinc/26/12/12/619261212.db2.gz OMDBDTNSBSQFRF-LJQANCHMSA-N 1 1 299.414 3.090 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CCO[C@@H](C3CCC3)C2)cc1 ZINC000840954980 619261214 /nfs/dbraw/zinc/26/12/14/619261214.db2.gz OMDBDTNSBSQFRF-LJQANCHMSA-N 1 1 299.414 3.090 20 30 CGEDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1csc(C#N)c1 ZINC000894143112 619392028 /nfs/dbraw/zinc/39/20/28/619392028.db2.gz SCSRMJLFCBUFDM-LDYMZIIASA-N 1 1 274.311 3.392 20 30 CGEDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1csc(C#N)c1 ZINC000894143112 619392032 /nfs/dbraw/zinc/39/20/32/619392032.db2.gz SCSRMJLFCBUFDM-LDYMZIIASA-N 1 1 274.311 3.392 20 30 CGEDMO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)[NH2+]Cc1cccc(C#N)c1 ZINC000067251557 619401563 /nfs/dbraw/zinc/40/15/63/619401563.db2.gz NRLJECYLNVCUMM-BZUAXINKSA-N 1 1 285.435 3.014 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@H](c3ccccn3)C2)cs1 ZINC000894245876 619439633 /nfs/dbraw/zinc/43/96/33/619439633.db2.gz NOQRHSBRJYRCGG-ZDUSSCGKSA-N 1 1 269.373 3.004 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)o1 ZINC000895018655 619697044 /nfs/dbraw/zinc/69/70/44/619697044.db2.gz RBOCGBZQAIAQLZ-LBPRGKRZSA-N 1 1 270.332 3.353 20 30 CGEDMO CC(C)Cc1ccc(C[NH2+]CC2(C#N)CCCC2)cn1 ZINC000895142509 619752139 /nfs/dbraw/zinc/75/21/39/619752139.db2.gz RPTOPPHNCIVSTE-UHFFFAOYSA-N 1 1 271.408 3.454 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cccc3c2NCCC3)C1 ZINC000895227483 619786613 /nfs/dbraw/zinc/78/66/13/619786613.db2.gz BJUDBQOHKYYGGK-CQSZACIVSA-N 1 1 269.392 3.170 20 30 CGEDMO C#C[C@@H](C)[NH2+]Cc1cc(Cl)ccc1Br ZINC000166502296 619804331 /nfs/dbraw/zinc/80/43/31/619804331.db2.gz NYRQQILISTUEPI-MRVPVSSYSA-N 1 1 272.573 3.214 20 30 CGEDMO C#CCCOc1ccc(C[N@H+](C)Cc2ccns2)cc1 ZINC000895453830 619830562 /nfs/dbraw/zinc/83/05/62/619830562.db2.gz PVQDCWHPWHBURX-UHFFFAOYSA-N 1 1 286.400 3.177 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+](C)Cc2ccns2)cc1 ZINC000895453830 619830564 /nfs/dbraw/zinc/83/05/64/619830564.db2.gz PVQDCWHPWHBURX-UHFFFAOYSA-N 1 1 286.400 3.177 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1csc(C#N)c1 ZINC000895786427 619885465 /nfs/dbraw/zinc/88/54/65/619885465.db2.gz SFFKVEWICGSWCL-UHFFFAOYSA-N 1 1 281.384 3.166 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[N@H+](C3CCCC3)CC2)CC1 ZINC000896499092 620017686 /nfs/dbraw/zinc/01/76/86/620017686.db2.gz IESXUPBRKXIGFS-UHFFFAOYSA-N 1 1 290.451 3.210 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)c2cc(C)c(C)o2)CC1 ZINC000985376611 620178120 /nfs/dbraw/zinc/17/81/20/620178120.db2.gz JDTJBHARELXYNV-UHFFFAOYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@H](F)C2)CC1 ZINC000985434829 620188206 /nfs/dbraw/zinc/18/82/06/620188206.db2.gz VPEQNCARPCWXRD-CABCVRRESA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)C[C@@H]2CCC[C@H]2C)CC1 ZINC000985452574 620192278 /nfs/dbraw/zinc/19/22/78/620192278.db2.gz KJSCZFRPRYXAON-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC000985534085 620206063 /nfs/dbraw/zinc/20/60/63/620206063.db2.gz XKHOKZCXVJSWLS-HZPDHXFCSA-N 1 1 292.467 3.168 20 30 CGEDMO Cc1ccc2nc(C[NH2+][C@H](C)CC(C)(C)C#N)[nH]c2c1 ZINC000925191967 620224659 /nfs/dbraw/zinc/22/46/59/620224659.db2.gz PPHRUQGSYAJIGN-GFCCVEGCSA-N 1 1 270.380 3.289 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)C2CC(C(C)(C)C)C2)CC1 ZINC000985811737 620241664 /nfs/dbraw/zinc/24/16/64/620241664.db2.gz OUZBHUWPZPXECL-UHFFFAOYSA-N 1 1 292.467 3.168 20 30 CGEDMO C[C@H]([NH2+]Cc1nc2ccccc2[nH]1)c1cccc(C#N)c1 ZINC000054375705 620278532 /nfs/dbraw/zinc/27/85/32/620278532.db2.gz XRLWPEJDFHIKAZ-LBPRGKRZSA-N 1 1 276.343 3.285 20 30 CGEDMO CC[C@@H]1C[C@@H](C[N@@H+](C)Cc2cc(C#N)cs2)CCO1 ZINC000897626028 620412276 /nfs/dbraw/zinc/41/22/76/620412276.db2.gz UIVYVANAPNCJQD-GXTWGEPZSA-N 1 1 278.421 3.257 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)c3cccc(C)c3)CCC[C@H]12 ZINC000989911825 620531606 /nfs/dbraw/zinc/53/16/06/620531606.db2.gz CAMNCNLSMPNGDW-HKUYNNGSSA-N 1 1 298.430 3.298 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)c3cccs3)CCC[C@H]12 ZINC000989925109 620532787 /nfs/dbraw/zinc/53/27/87/620532787.db2.gz GYFWBAVDCPOWNB-HOCLYGCPSA-N 1 1 290.432 3.051 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)CC3CCCCC3)CCC[C@@H]12 ZINC000989935005 620533409 /nfs/dbraw/zinc/53/34/09/620533409.db2.gz AAAUQHWKNKNOMM-AEFFLSMTSA-N 1 1 290.451 3.256 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)O[C@@H](C)c1ccc(C#N)cc1 ZINC000923887509 620550006 /nfs/dbraw/zinc/55/00/06/620550006.db2.gz GBPOXKJFCMYTFD-BBRMVZONSA-N 1 1 286.375 3.035 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)O[C@@H](C)c1cccc(C#N)c1 ZINC000923889739 620564482 /nfs/dbraw/zinc/56/44/82/620564482.db2.gz VTYSEAVFCFTKTB-BBRMVZONSA-N 1 1 286.375 3.035 20 30 CGEDMO C=CC(C)(C)[NH2+]Cc1ncc(Br)cc1F ZINC000898460137 620590027 /nfs/dbraw/zinc/59/00/27/620590027.db2.gz DKLWDVAAWAVVBA-UHFFFAOYSA-N 1 1 273.149 3.037 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000898516151 620595199 /nfs/dbraw/zinc/59/51/99/620595199.db2.gz NBBPIRZEWHIBPC-HOTGVXAUSA-N 1 1 278.440 3.455 20 30 CGEDMO CC[C@H]([NH2+]Cc1ccoc1)c1cccc(C#N)c1O ZINC000924750707 620621514 /nfs/dbraw/zinc/62/15/14/620621514.db2.gz UMESKDKKPYRGPC-AWEZNQCLSA-N 1 1 256.305 3.098 20 30 CGEDMO CC(=[NH+]N[C@@H](C)c1ccc(C(C)C)cc1)c1c[nH]c(N)n1 ZINC000901170396 620839896 /nfs/dbraw/zinc/83/98/96/620839896.db2.gz MGTVMXAOPKKKLU-NSHDSACASA-N 1 1 285.395 3.190 20 30 CGEDMO CN(C)C[C@@H]([NH2+]Cc1csc(C#N)c1)c1ccccc1 ZINC000921501894 625450411 /nfs/dbraw/zinc/45/04/11/625450411.db2.gz BGYWKHZAQUNFGU-MRXNPFEDSA-N 1 1 285.416 3.012 20 30 CGEDMO CC[C@H](NC[C@H](C)C[NH+]1CCCC1)c1cccc(C#N)c1 ZINC000902754846 621425757 /nfs/dbraw/zinc/42/57/57/621425757.db2.gz HLRUGDYNRMTTJK-YJBOKZPZSA-N 1 1 285.435 3.331 20 30 CGEDMO CCN(C)c1ccccc1C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902796400 621451241 /nfs/dbraw/zinc/45/12/41/621451241.db2.gz POJYIGVWZANBBQ-AWEZNQCLSA-N 1 1 294.402 3.260 20 30 CGEDMO COc1ccc(C2([NH2+][C@H](C)c3cc(C#N)ccn3)CC2)cc1 ZINC000902912558 621495757 /nfs/dbraw/zinc/49/57/57/621495757.db2.gz QGQAFJNDAIEGFA-CYBMUJFWSA-N 1 1 293.370 3.302 20 30 CGEDMO COCCOc1ccc([C@H](C)[NH2+]CC2(C#N)CCC2)cc1 ZINC000903031546 621534931 /nfs/dbraw/zinc/53/49/31/621534931.db2.gz LPUUGJKCYPGVMB-AWEZNQCLSA-N 1 1 288.391 3.056 20 30 CGEDMO CC[C@H]([NH2+][C@H](c1nncn1C)C(C)C)c1cccc(C#N)c1 ZINC000903063147 621552301 /nfs/dbraw/zinc/55/23/01/621552301.db2.gz BUGKDQSNSJRAMU-HOTGVXAUSA-N 1 1 297.406 3.125 20 30 CGEDMO CC(C)(C#N)C[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000903100040 621572985 /nfs/dbraw/zinc/57/29/85/621572985.db2.gz HIQZVEHQFKSSIF-CYBMUJFWSA-N 1 1 250.292 3.091 20 30 CGEDMO N#CC1(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000903105388 621577994 /nfs/dbraw/zinc/57/79/94/621577994.db2.gz BUIFUEVNYBBEKC-HNNXBMFYSA-N 1 1 285.347 3.256 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1nccc2ccccc21 ZINC000903106000 621578598 /nfs/dbraw/zinc/57/85/98/621578598.db2.gz KTNAZIKFPDPCCK-GFCCVEGCSA-N 1 1 251.333 3.189 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1ccc2c(c1)OCCO2 ZINC000903107925 621581001 /nfs/dbraw/zinc/58/10/01/621581001.db2.gz IHZOTVNKZJMVJR-CYBMUJFWSA-N 1 1 286.375 3.192 20 30 CGEDMO CC[N@H+]1CC[C@@H](Nc2ccc(CCC#N)cc2)[C@@H](C)C1 ZINC000903298567 621665974 /nfs/dbraw/zinc/66/59/74/621665974.db2.gz XCTSENKFGPYDHN-WMLDXEAASA-N 1 1 271.408 3.285 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCOc3cc(N)ccc3C2)CCC1 ZINC000903778019 621806237 /nfs/dbraw/zinc/80/62/37/621806237.db2.gz ISDMPWRUMYKNSD-UHFFFAOYSA-N 1 1 299.418 3.327 20 30 CGEDMO C=CC[C@H]1[N@@H+](C[C@H](N)CC(F)F)CCCC1(C)C ZINC000903913547 621832621 /nfs/dbraw/zinc/83/26/21/621832621.db2.gz DVPMTSPCCBHWAP-VXGBXAGGSA-N 1 1 260.372 3.036 20 30 CGEDMO C=CC[C@H]1[N@H+](C[C@H](N)CC(F)F)CCCC1(C)C ZINC000903913547 621832622 /nfs/dbraw/zinc/83/26/22/621832622.db2.gz DVPMTSPCCBHWAP-VXGBXAGGSA-N 1 1 260.372 3.036 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccc3nccnc3c2)no1 ZINC000904613889 621945530 /nfs/dbraw/zinc/94/55/30/621945530.db2.gz XRXHYHOSGMAMPP-LBPRGKRZSA-N 1 1 295.346 3.036 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccc(Cl)o2)no1 ZINC000904692992 621958933 /nfs/dbraw/zinc/95/89/33/621958933.db2.gz TXBGWQFMORIMQR-MRVPVSSYSA-N 1 1 267.716 3.339 20 30 CGEDMO Brc1cnn([NH+]=C2C[C@H]3CCC[C@@H]3C2)c1 ZINC000905456993 622077741 /nfs/dbraw/zinc/07/77/41/622077741.db2.gz QGRZZGVXASSUQK-RKDXNWHRSA-N 1 1 268.158 3.060 20 30 CGEDMO C#CC[N@@H+](Cc1csc([N+](=O)[O-])c1)C1CCCC1 ZINC000155824052 622495975 /nfs/dbraw/zinc/49/59/75/622495975.db2.gz WTNREUGRDPUTMH-UHFFFAOYSA-N 1 1 264.350 3.034 20 30 CGEDMO C#CC[N@H+](Cc1csc([N+](=O)[O-])c1)C1CCCC1 ZINC000155824052 622495981 /nfs/dbraw/zinc/49/59/81/622495981.db2.gz WTNREUGRDPUTMH-UHFFFAOYSA-N 1 1 264.350 3.034 20 30 CGEDMO CCCCCCCCCNC(=O)c1cnc(C[NH3+])s1 ZINC000912114686 622600741 /nfs/dbraw/zinc/60/07/41/622600741.db2.gz XAZDXLOSZCETNG-UHFFFAOYSA-N 1 1 283.441 3.082 20 30 CGEDMO Oc1ccccc1/C=[NH+]/CCCN1CCc2ccccc21 ZINC000912975196 622716892 /nfs/dbraw/zinc/71/68/92/622716892.db2.gz KLRXWKJHLZQADM-XMHGGMMESA-N 1 1 280.371 3.264 20 30 CGEDMO C[C@@H]1C[C@H](/N=C/c2ccccc2O)C[N@H+]1Cc1ccccc1 ZINC000158183954 623012025 /nfs/dbraw/zinc/01/20/25/623012025.db2.gz BKJNLFRMMKEYTI-VZCCDBLZSA-N 1 1 294.398 3.474 20 30 CGEDMO COc1ccc(C[NH2+][C@@H](C)c2nc(C)cs2)cc1C#N ZINC000087824430 623245309 /nfs/dbraw/zinc/24/53/09/623245309.db2.gz OBUWZTFPRZSRHJ-NSHDSACASA-N 1 1 287.388 3.183 20 30 CGEDMO C#CCCCNC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000172924906 623295249 /nfs/dbraw/zinc/29/52/49/623295249.db2.gz QYXAHIVWMLMEJZ-UHFFFAOYSA-N 1 1 286.419 3.060 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1ccc(C(F)(F)F)s1 ZINC000827827205 623472081 /nfs/dbraw/zinc/47/20/81/623472081.db2.gz QIMXHVQAWDUHGK-UHFFFAOYSA-N 1 1 291.338 3.239 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C2CCCC2)[C@@H]1C ZINC000992945642 623754349 /nfs/dbraw/zinc/75/43/49/623754349.db2.gz MZSPGKQCKKLXLT-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCC[C@@H]3COCC[C@H]32)CCC1 ZINC000929826456 623795000 /nfs/dbraw/zinc/79/50/00/623795000.db2.gz PMIXKAZYQNLJEB-HZPDHXFCSA-N 1 1 276.424 3.351 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)o2)[C@@H]1C ZINC000993032988 623800604 /nfs/dbraw/zinc/80/06/04/623800604.db2.gz DAONEJKUEMQLSW-NWDGAFQWSA-N 1 1 296.798 3.092 20 30 CGEDMO CC(C)CCC(N)=[NH+]OCc1csc(C2CC2)n1 ZINC000153162664 623801927 /nfs/dbraw/zinc/80/19/27/623801927.db2.gz WOVGTCUUEPNCGY-UHFFFAOYSA-N 1 1 267.398 3.246 20 30 CGEDMO C=CCO[NH+]=Cc1ccc(N2CCCCC2)s1 ZINC000835016325 623857167 /nfs/dbraw/zinc/85/71/67/623857167.db2.gz UBJCTPPFACDHLN-UHFFFAOYSA-N 1 1 250.367 3.275 20 30 CGEDMO CCCCCCCCNC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000754852055 623971264 /nfs/dbraw/zinc/97/12/64/623971264.db2.gz YZYMDVJSHJUHQU-HOTGVXAUSA-N 1 1 295.471 3.273 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccoc2CC)[C@H]1C ZINC000993267065 623997327 /nfs/dbraw/zinc/99/73/27/623997327.db2.gz NSGZWJGCTUDDDL-UKRRQHHQSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3occc3c2)[C@@H]1C ZINC000993386393 624039842 /nfs/dbraw/zinc/03/98/42/624039842.db2.gz VKAJVQJETSSYQJ-BBRMVZONSA-N 1 1 298.386 3.202 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1nccn1C(F)F ZINC000921605648 625695023 /nfs/dbraw/zinc/69/50/23/625695023.db2.gz BXLLIJIOKOXANZ-UHFFFAOYSA-N 1 1 290.317 3.057 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)sc2C)[C@@H]1C ZINC000993562133 624054407 /nfs/dbraw/zinc/05/44/07/624054407.db2.gz BXMKBSMZLVHREF-WFASDCNBSA-N 1 1 292.448 3.134 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](CCC3CC3)[C@@H]2C)C1 ZINC000993793600 624061828 /nfs/dbraw/zinc/06/18/28/624061828.db2.gz UUKCNLRFAFEWNR-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](CCC(C)C)[C@@H]2C)C1 ZINC000993787724 624063924 /nfs/dbraw/zinc/06/39/24/624063924.db2.gz IXDSWEHINCVJMN-CVEARBPZSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C2CC3(CC3)C2)[C@H]1C ZINC000993823574 624064303 /nfs/dbraw/zinc/06/43/03/624064303.db2.gz YTRRDXXCRUIJMY-GDBMZVCRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C2(C)CC2)C1 ZINC001015693112 624067221 /nfs/dbraw/zinc/06/72/21/624067221.db2.gz QZBGONSFVSPAMU-HNNXBMFYSA-N 1 1 298.430 3.118 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C2(F)CCCCC2)[C@@H]1C ZINC000994154687 624070331 /nfs/dbraw/zinc/07/03/31/624070331.db2.gz CUXVUBPWFHFCSY-GJZGRUSLSA-N 1 1 296.430 3.204 20 30 CGEDMO CCON=C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000915958279 624079433 /nfs/dbraw/zinc/07/94/33/624079433.db2.gz WMDJUTCBTBAESB-UHFFFAOYSA-N 1 1 266.772 3.328 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)[C@H]1C ZINC000994326312 624205306 /nfs/dbraw/zinc/20/53/06/624205306.db2.gz FOURZLFYLBTORO-UKRRQHHQSA-N 1 1 298.386 3.202 20 30 CGEDMO C=CC[N@H+](CC(=O)N(CC(C)C)CC(C)C)C(C)C ZINC000917071791 624233625 /nfs/dbraw/zinc/23/36/25/624233625.db2.gz YYWYBLGUIOQLRE-UHFFFAOYSA-N 1 1 268.445 3.023 20 30 CGEDMO CCCC(N)=[NH+]OCc1ncc(-c2cccc(F)c2)o1 ZINC000154550856 624316916 /nfs/dbraw/zinc/31/69/16/624316916.db2.gz CGXSOMHMLRDCAF-UHFFFAOYSA-N 1 1 277.299 3.070 20 30 CGEDMO CC#CC[N@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000154803296 624373583 /nfs/dbraw/zinc/37/35/83/624373583.db2.gz ZJZFHOXWKFDCLC-KRWDZBQOSA-N 1 1 285.412 3.307 20 30 CGEDMO C[N@@H+](CCCCC1(C#N)CCC1)Cc1cccnc1 ZINC000930090148 624417646 /nfs/dbraw/zinc/41/76/46/624417646.db2.gz NCTZWYUVYARBMZ-UHFFFAOYSA-N 1 1 257.381 3.378 20 30 CGEDMO Cc1csc([C@H](C)[NH2+]Cc2cccc(C#N)c2)n1 ZINC000069168372 624801705 /nfs/dbraw/zinc/80/17/05/624801705.db2.gz VUIWRBIPZYQFCY-NSHDSACASA-N 1 1 257.362 3.174 20 30 CGEDMO C=CC[N@H+](CC)Cc1cc(Br)ccc1O ZINC000076118465 625055481 /nfs/dbraw/zinc/05/54/81/625055481.db2.gz KMERZVMHKPSJII-UHFFFAOYSA-N 1 1 270.170 3.163 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2ccccc2)CC1 ZINC000997909363 625767686 /nfs/dbraw/zinc/76/76/86/625767686.db2.gz QJXXOSYUPPOGID-GOSISDBHSA-N 1 1 298.430 3.027 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(CC)C(=O)C2CC(C)C2)CC1 ZINC000997961610 625776967 /nfs/dbraw/zinc/77/69/67/625776967.db2.gz QDOVQFCTGNLOAM-OFLPRAFFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](N(CC)C(=O)C2=CCCC2)CC1 ZINC000997972873 625777410 /nfs/dbraw/zinc/77/74/10/625777410.db2.gz UYYASAFANGSKTK-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC2(C)C)CC1 ZINC000997976392 625779151 /nfs/dbraw/zinc/77/91/51/625779151.db2.gz MTYVRPYEUQLZIT-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)C2CC(C)(C)C2)CC1 ZINC000998005581 625781415 /nfs/dbraw/zinc/78/14/15/625781415.db2.gz QLORVWGVYNYJPQ-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO COC[C@@H]([NH2+]Cc1csc(C#N)c1)c1ccccc1 ZINC000921740100 625858282 /nfs/dbraw/zinc/85/82/82/625858282.db2.gz IFPKDTSCBVRVNR-OAHLLOKOSA-N 1 1 272.373 3.097 20 30 CGEDMO N#Cc1ccc(F)c(C[NH2+]Cc2nccc3c2CCCC3)c1 ZINC000921791319 625876315 /nfs/dbraw/zinc/87/63/15/625876315.db2.gz BNCCMORPOQBPDN-UHFFFAOYSA-N 1 1 295.361 3.261 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)C2CCC=CCC2)CC1 ZINC001001457649 625896979 /nfs/dbraw/zinc/89/69/79/625896979.db2.gz XXMCFQBXSRBACX-UHFFFAOYSA-N 1 1 288.435 3.057 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)c2cccc(C3CC3)c2)CC1 ZINC001001485895 625898166 /nfs/dbraw/zinc/89/81/66/625898166.db2.gz GGQLJJGYVZBPKL-UHFFFAOYSA-N 1 1 296.414 3.112 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H]2CCC2(C)C)CC1 ZINC001001725198 625900987 /nfs/dbraw/zinc/90/09/87/625900987.db2.gz GEIXKURVMXDUBW-CQSZACIVSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)C2C(C)(C)C2(C)C)CC1 ZINC001002539232 625936778 /nfs/dbraw/zinc/93/67/78/625936778.db2.gz IMPDDUGWYBPIIT-UHFFFAOYSA-N 1 1 298.858 3.002 20 30 CGEDMO C[C@H]1Oc2ccccc2[C@H]1[NH2+]Cc1csc(C#N)c1 ZINC000922133114 625971769 /nfs/dbraw/zinc/97/17/69/625971769.db2.gz AYEYFEBBAJDNOW-BMIGLBTASA-N 1 1 270.357 3.232 20 30 CGEDMO CCC[N@@H+](CCc1ccns1)Cc1ccc(C#N)cc1 ZINC000929270629 625976381 /nfs/dbraw/zinc/97/63/81/625976381.db2.gz RBIDUKUFOKPDLE-UHFFFAOYSA-N 1 1 285.416 3.469 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[C@H]2C)CC1 ZINC001003521401 625982209 /nfs/dbraw/zinc/98/22/09/625982209.db2.gz BDFMRCSNMPKLEE-IUODEOHRSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[C@@H]2C)CC1 ZINC001003521403 625982365 /nfs/dbraw/zinc/98/23/65/625982365.db2.gz BDFMRCSNMPKLEE-SWLSCSKDSA-N 1 1 298.858 3.146 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1cc(C2CC2)no1 ZINC000922337781 626000493 /nfs/dbraw/zinc/00/04/93/626000493.db2.gz JOBBOKXPZAJDRU-UHFFFAOYSA-N 1 1 281.359 3.330 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)/C(C)=C\C)CC1 ZINC001004402583 626046868 /nfs/dbraw/zinc/04/68/68/626046868.db2.gz QAVGEZPXAKMSIY-FLUNIGMLSA-N 1 1 290.451 3.232 20 30 CGEDMO CCCCCCCC[N@H+]1CCC[C@]12CCOC2=O ZINC000186636820 626065415 /nfs/dbraw/zinc/06/54/15/626065415.db2.gz RRAAHOJIUFAGKA-OAHLLOKOSA-N 1 1 253.386 3.128 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)C)CC1 ZINC001004600793 626066050 /nfs/dbraw/zinc/06/60/50/626066050.db2.gz MKNPGLDSONEYRM-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@H+]1CCOC[C@H]1C[C@H]1CNc2ccccc21 ZINC000923556569 626164299 /nfs/dbraw/zinc/16/42/99/626164299.db2.gz POVGOFXVNCOXKY-JKSUJKDBSA-N 1 1 286.419 3.253 20 30 CGEDMO C=CCC1(C(=O)O[C@H]2CC[N@H+]3CCC[C@H]3C2)CCCC1 ZINC000835397659 634482904 /nfs/dbraw/zinc/48/29/04/634482904.db2.gz UBQMKRQZIDBSML-GJZGRUSLSA-N 1 1 277.408 3.293 20 30 CGEDMO C=CCCCCCCNC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000838590941 626239778 /nfs/dbraw/zinc/23/97/78/626239778.db2.gz CXGKWAURKNAVLW-MRXNPFEDSA-N 1 1 295.471 3.247 20 30 CGEDMO Cc1ccc(N=NC2C[N@H+](Cc3ccccc3)C[C@H]2C)nc1 ZINC000751527377 626394335 /nfs/dbraw/zinc/39/43/35/626394335.db2.gz WWTVYAJDKFTABK-OAHLLOKOSA-N 1 1 294.402 3.310 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)[C@@H]1C ZINC000751943970 626412535 /nfs/dbraw/zinc/41/25/35/626412535.db2.gz SGKOWCVVNXZOHD-ZIAGYGMSSA-N 1 1 280.375 3.110 20 30 CGEDMO C#CC[N@H+](Cc1cn2cc(C)ccc2n1)C1CCCCC1 ZINC000752284114 626424471 /nfs/dbraw/zinc/42/44/71/626424471.db2.gz IPUCZOYVEYNNFP-UHFFFAOYSA-N 1 1 281.403 3.411 20 30 CGEDMO CCCCC(CC)=[NH+]n1cc(Br)cn1 ZINC000752745506 626437083 /nfs/dbraw/zinc/43/70/83/626437083.db2.gz CHFLFXRXYVSNPI-UHFFFAOYSA-N 1 1 258.163 3.450 20 30 CGEDMO CCC(=O)CC[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000753708453 626462680 /nfs/dbraw/zinc/46/26/80/626462680.db2.gz FOLZGRLWVUSRSE-UHFFFAOYSA-N 1 1 272.392 3.385 20 30 CGEDMO C[C@@H]1CC(N=Nc2ccc(OC(F)F)cc2)C[N@H+]1C1CC1 ZINC000753960397 626470000 /nfs/dbraw/zinc/47/00/00/626470000.db2.gz QXBCNQSHBCNGTO-SNVBAGLBSA-N 1 1 295.333 3.313 20 30 CGEDMO C[C@@H]1CC(N=Nc2cccc3cnccc32)C[N@H+]1C1CC1 ZINC000753959872 626470167 /nfs/dbraw/zinc/47/01/67/626470167.db2.gz MUQZXWVZUVXNKX-GFCCVEGCSA-N 1 1 280.375 3.259 20 30 CGEDMO C[C@H]1CC(N=Nc2cccc3ncccc23)C[N@H+]1C1CC1 ZINC000753955919 626470215 /nfs/dbraw/zinc/47/02/15/626470215.db2.gz RMDLQRJBNBPAAF-LBPRGKRZSA-N 1 1 280.375 3.259 20 30 CGEDMO C#CC[N@H+](C[C@@H](O)CCc1ccccc1)C1CCCCC1 ZINC000754015920 626472361 /nfs/dbraw/zinc/47/23/61/626472361.db2.gz ZAFURBYUJTUJPT-IBGZPJMESA-N 1 1 285.431 3.248 20 30 CGEDMO C=CCc1cc(C[N@H+](CC)CCC)c(O)c(OC)c1 ZINC000754730571 626584872 /nfs/dbraw/zinc/58/48/72/626584872.db2.gz SHUNQEBERZGCBI-UHFFFAOYSA-N 1 1 263.381 3.361 20 30 CGEDMO CCc1[nH+]c(C=NNc2ccccc2)c2ccccn21 ZINC000755461579 626624585 /nfs/dbraw/zinc/62/45/85/626624585.db2.gz HJLSOZWPBHFGFN-UHFFFAOYSA-N 1 1 264.332 3.343 20 30 CGEDMO COc1ccc(OCCC[N@@H+](CCC#N)CC(C)C)cc1 ZINC000755669952 626635172 /nfs/dbraw/zinc/63/51/72/626635172.db2.gz IUWAXINKVJJYAP-UHFFFAOYSA-N 1 1 290.407 3.336 20 30 CGEDMO C=C(C)C[N@@H+](C)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000839547282 626761824 /nfs/dbraw/zinc/76/18/24/626761824.db2.gz FODVRYNGUCXEAD-CQSZACIVSA-N 1 1 282.428 3.141 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H](Cc1nc(C)no1)c1ccccc1 ZINC000839578832 626762751 /nfs/dbraw/zinc/76/27/51/626762751.db2.gz FGGAWAHYLCRZTA-ZDUSSCGKSA-N 1 1 277.755 3.004 20 30 CGEDMO C=C(Cl)C[NH2+][C@H](Cc1nc(C)no1)c1ccccc1 ZINC000839578831 626762858 /nfs/dbraw/zinc/76/28/58/626762858.db2.gz FGGAWAHYLCRZTA-CYBMUJFWSA-N 1 1 277.755 3.004 20 30 CGEDMO C#CC[N@H+](Cc1c(C)nc2ccccn21)C1CCCCC1 ZINC000759330281 626887394 /nfs/dbraw/zinc/88/73/94/626887394.db2.gz JAKQHBITHABXCY-UHFFFAOYSA-N 1 1 281.403 3.411 20 30 CGEDMO CCc1ccc(C[NH2+]Cc2cc(C#N)ccc2F)o1 ZINC000760677815 626985243 /nfs/dbraw/zinc/98/52/43/626985243.db2.gz CVPMKTZZXIMEMZ-UHFFFAOYSA-N 1 1 258.296 3.143 20 30 CGEDMO C#CC[N@H+](Cc1cc(Cl)cc(OC)c1O)C1CCCC1 ZINC000761206334 627025605 /nfs/dbraw/zinc/02/56/05/627025605.db2.gz WNTHOEGIOMMSNE-UHFFFAOYSA-N 1 1 293.794 3.432 20 30 CGEDMO N#Cc1cccc([C@H]2C[N@H+](CCc3cccs3)CCO2)c1 ZINC000761761338 627059059 /nfs/dbraw/zinc/05/90/59/627059059.db2.gz DJRXCKMYCJKNQK-QGZVFWFLSA-N 1 1 298.411 3.236 20 30 CGEDMO N#Cc1cccc([C@H]2C[N@@H+](CCc3cccs3)CCO2)c1 ZINC000761761338 627059061 /nfs/dbraw/zinc/05/90/61/627059061.db2.gz DJRXCKMYCJKNQK-QGZVFWFLSA-N 1 1 298.411 3.236 20 30 CGEDMO CC[C@H](C)C[N@H+](CC)[C@@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000764282867 627202725 /nfs/dbraw/zinc/20/27/25/627202725.db2.gz JNRCXOCQWXXQLI-XJKSGUPXSA-N 1 1 288.391 3.140 20 30 CGEDMO CC[C@H](C)C[N@@H+](CC)[C@@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000764282867 627202726 /nfs/dbraw/zinc/20/27/26/627202726.db2.gz JNRCXOCQWXXQLI-XJKSGUPXSA-N 1 1 288.391 3.140 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OC)c(OCCCC)c1)C1CC1 ZINC000764676673 627217783 /nfs/dbraw/zinc/21/77/83/627217783.db2.gz NDTWQSPYLBYSEI-UHFFFAOYSA-N 1 1 287.403 3.472 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@@H+](C)[C@H]2CCSC2)c1O ZINC000125053894 634560762 /nfs/dbraw/zinc/56/07/62/634560762.db2.gz GEKLFXWNEVALOS-AWEZNQCLSA-N 1 1 293.432 3.067 20 30 CGEDMO C#CCCC[N@H+](CC)[C@@H](C)Cc1ccc(OC)cc1 ZINC000766899521 627368496 /nfs/dbraw/zinc/36/84/96/627368496.db2.gz CCTLIWAZYQXYLM-HNNXBMFYSA-N 1 1 259.393 3.362 20 30 CGEDMO C#CCCC[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000766903350 627369281 /nfs/dbraw/zinc/36/92/81/627369281.db2.gz CWDWKEDJNIVFBY-GOSISDBHSA-N 1 1 271.404 3.124 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000767974404 627447163 /nfs/dbraw/zinc/44/71/63/627447163.db2.gz VQRRBKDFRMPIOO-DOTOQJQBSA-N 1 1 287.403 3.406 20 30 CGEDMO CCOc1ccc(O)c(C[N@@H+](CCC#N)CC(C)C)c1 ZINC000768153888 627464403 /nfs/dbraw/zinc/46/44/03/627464403.db2.gz OKMBJTREHKDJBP-UHFFFAOYSA-N 1 1 276.380 3.163 20 30 CGEDMO CC(C)[N@H+](CCC#N)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000768766517 627497419 /nfs/dbraw/zinc/49/74/19/627497419.db2.gz YUOUOGPOLPLRMM-AWEZNQCLSA-N 1 1 271.364 3.102 20 30 CGEDMO CC(C)[N@@H+](CCC#N)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000768766517 627497421 /nfs/dbraw/zinc/49/74/21/627497421.db2.gz YUOUOGPOLPLRMM-AWEZNQCLSA-N 1 1 271.364 3.102 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccc(F)cc1C(F)(F)F ZINC000769110881 627523083 /nfs/dbraw/zinc/52/30/83/627523083.db2.gz JOWOHYOBOQOPHA-UHFFFAOYSA-N 1 1 259.246 3.300 20 30 CGEDMO C=CC[N@@H+](Cn1ccc(-c2ccc(F)cc2)n1)C1CC1 ZINC000771643289 627724807 /nfs/dbraw/zinc/72/48/07/627724807.db2.gz ZKXCEEULUJMWDU-UHFFFAOYSA-N 1 1 271.339 3.297 20 30 CGEDMO C=CC[N@H+](Cn1ccc(-c2ccc(F)cc2)n1)C1CC1 ZINC000771643289 627724812 /nfs/dbraw/zinc/72/48/12/627724812.db2.gz ZKXCEEULUJMWDU-UHFFFAOYSA-N 1 1 271.339 3.297 20 30 CGEDMO Cc1cccc(F)c1C[NH2+]Cc1ccc(C#N)cc1F ZINC000772921001 627833020 /nfs/dbraw/zinc/83/30/20/627833020.db2.gz MRTRFTJPGCAGHN-UHFFFAOYSA-N 1 1 272.298 3.435 20 30 CGEDMO C#CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000772986882 627837616 /nfs/dbraw/zinc/83/76/16/627837616.db2.gz FFXFUXYPYROEMN-ZDUSSCGKSA-N 1 1 284.334 3.084 20 30 CGEDMO C=C(CC)C[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000773422146 627882397 /nfs/dbraw/zinc/88/23/97/627882397.db2.gz SSXLYGDAJKZGCC-UHFFFAOYSA-N 1 1 274.408 3.174 20 30 CGEDMO C=C(CC)C[N@H+]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000773425725 627882695 /nfs/dbraw/zinc/88/26/95/627882695.db2.gz BORSTEUKHKVCDH-AWEZNQCLSA-N 1 1 282.428 3.332 20 30 CGEDMO CC[C@@H](NCC[N@@H+]1CCC[C@H]1C)c1ccc(C#N)cc1 ZINC000774207050 627963601 /nfs/dbraw/zinc/96/36/01/627963601.db2.gz FQMNHLUADMHLSI-RHSMWYFYSA-N 1 1 271.408 3.083 20 30 CGEDMO CC[C@@H](NCC[N@H+]1CCC[C@H]1C)c1ccc(C#N)cc1 ZINC000774207050 627963603 /nfs/dbraw/zinc/96/36/03/627963603.db2.gz FQMNHLUADMHLSI-RHSMWYFYSA-N 1 1 271.408 3.083 20 30 CGEDMO CCOCCC[N@H+]1CCC(=NOC2CCCC2)[C@@H](C)C1 ZINC000774603176 628008173 /nfs/dbraw/zinc/00/81/73/628008173.db2.gz OFYSYQNHAPKGJN-AWEZNQCLSA-N 1 1 282.428 3.070 20 30 CGEDMO C#CCCC[N@@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000775839265 628141017 /nfs/dbraw/zinc/14/10/17/628141017.db2.gz VIWOKJKXFFHUFC-XHSDSOJGSA-N 1 1 291.435 3.375 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CC1N=Nc1ccccn1 ZINC000776178675 628176564 /nfs/dbraw/zinc/17/65/64/628176564.db2.gz BGZKLBAJZDXIED-OAHLLOKOSA-N 1 1 294.402 3.392 20 30 CGEDMO Cc1cc(C#N)ccc1CO[NH+]=C(N)C1CCCCC1 ZINC000776743166 628229677 /nfs/dbraw/zinc/22/96/77/628229677.db2.gz MONPILCTZPHDCZ-UHFFFAOYSA-N 1 1 271.364 3.445 20 30 CGEDMO C=CC[N@H+](CN1C[C@](C)(c2ccccc2)CC1=O)C(C)C ZINC000777521617 628278106 /nfs/dbraw/zinc/27/81/06/628278106.db2.gz AMAGSHVCDATYDM-GOSISDBHSA-N 1 1 286.419 3.031 20 30 CGEDMO C=CC[N@@H+](CN1C[C@](C)(c2ccccc2)CC1=O)C(C)C ZINC000777521617 628278112 /nfs/dbraw/zinc/27/81/12/628278112.db2.gz AMAGSHVCDATYDM-GOSISDBHSA-N 1 1 286.419 3.031 20 30 CGEDMO CC(=NNc1cc[nH+]cc1)c1coc2ccccc12 ZINC000779809289 628433358 /nfs/dbraw/zinc/43/33/58/628433358.db2.gz NMLQVNFALLGJII-UHFFFAOYSA-N 1 1 251.289 3.086 20 30 CGEDMO C#CCCCCCC(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000780402711 628487247 /nfs/dbraw/zinc/48/72/47/628487247.db2.gz LFRPTGXBYCWXPI-IXDOHACOSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CC[N@H+](C[C@H]1CCO[C@@H](CC)C1)C1CCCCC1 ZINC000780758903 628514996 /nfs/dbraw/zinc/51/49/96/628514996.db2.gz ZLBCFVYBHKOOTD-RDJZCZTQSA-N 1 1 263.425 3.460 20 30 CGEDMO C[C@H]1CCC(=[NH+]n2cc(Br)cn2)[C@@H](C)C1 ZINC000783856433 628751598 /nfs/dbraw/zinc/75/15/98/628751598.db2.gz CHDYIWUXJZEZSE-IUCAKERBSA-N 1 1 270.174 3.306 20 30 CGEDMO C[C@@]1(C#N)CCC[N@H+](CCOC2CCCCCC2)C1 ZINC000784453205 628814376 /nfs/dbraw/zinc/81/43/76/628814376.db2.gz ILBUMVAVKNEFPO-INIZCTEOSA-N 1 1 264.413 3.351 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](CCOC2CCCCCC2)C1 ZINC000784453205 628814378 /nfs/dbraw/zinc/81/43/78/628814378.db2.gz ILBUMVAVKNEFPO-INIZCTEOSA-N 1 1 264.413 3.351 20 30 CGEDMO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cccnc1Cl ZINC000785617583 628874972 /nfs/dbraw/zinc/87/49/72/628874972.db2.gz OGBQCNYJRAUGSW-HNNXBMFYSA-N 1 1 283.762 3.384 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000785786225 628888294 /nfs/dbraw/zinc/88/82/94/628888294.db2.gz CUHVTLRDFWTORC-KRWDZBQOSA-N 1 1 277.383 3.465 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H](O)c1cccc(Cl)c1 ZINC000785996536 628906394 /nfs/dbraw/zinc/90/63/94/628906394.db2.gz DGEPXSQXLINAGU-CABCVRRESA-N 1 1 265.784 3.414 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000785998495 628906458 /nfs/dbraw/zinc/90/64/58/628906458.db2.gz GZMWQOILKDGNMQ-LSDHHAIUSA-N 1 1 294.439 3.284 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(=O)oc2cc(O)ccc12 ZINC000785998182 628906888 /nfs/dbraw/zinc/90/68/88/628906888.db2.gz YCCVPHIOUATIQO-CYBMUJFWSA-N 1 1 285.343 3.039 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H](CCNC(C)=O)C1 ZINC000805822214 628971133 /nfs/dbraw/zinc/97/11/33/628971133.db2.gz KHGJVLCDGSBFPW-MRXNPFEDSA-N 1 1 268.445 3.195 20 30 CGEDMO C#CC[N@@H+](CC)Cc1cccc(Cl)c1OCC ZINC000787127450 628994311 /nfs/dbraw/zinc/99/43/11/628994311.db2.gz CHJADZKHAYJLHU-UHFFFAOYSA-N 1 1 251.757 3.194 20 30 CGEDMO C#CC[N@H+](CC)Cc1cccc(Cl)c1OCC ZINC000787127450 628994314 /nfs/dbraw/zinc/99/43/14/628994314.db2.gz CHJADZKHAYJLHU-UHFFFAOYSA-N 1 1 251.757 3.194 20 30 CGEDMO C#C[C@H](C)OC(=O)c1ccc(C[N@H+](CC)CCC)cc1 ZINC000805886522 629124594 /nfs/dbraw/zinc/12/45/94/629124594.db2.gz BQJSEKBDQMIMCH-AWEZNQCLSA-N 1 1 273.376 3.097 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)CCCCc2ccccc2)n1 ZINC000789329524 629124653 /nfs/dbraw/zinc/12/46/53/629124653.db2.gz MFOUZQDHCSDEST-UHFFFAOYSA-N 1 1 295.430 3.361 20 30 CGEDMO CC[C@H](C)NN=C1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000790181305 629189407 /nfs/dbraw/zinc/18/94/07/629189407.db2.gz COSYTTVKPFNCDL-CABCVRRESA-N 1 1 273.424 3.273 20 30 CGEDMO CC[C@H](C)NN=C1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000790181305 629189412 /nfs/dbraw/zinc/18/94/12/629189412.db2.gz COSYTTVKPFNCDL-CABCVRRESA-N 1 1 273.424 3.273 20 30 CGEDMO C#CC[N@H+](C[C@@H](O)c1ccccc1)[C@@H]1CCc2ccccc21 ZINC000791444175 629278844 /nfs/dbraw/zinc/27/88/44/629278844.db2.gz DWSWDJLFVBIYBQ-WOJBJXKFSA-N 1 1 291.394 3.343 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1cccc(F)c1OCC(F)(F)F ZINC000862348846 629345936 /nfs/dbraw/zinc/34/59/36/629345936.db2.gz IMKOECCRUGDHLP-JTQLQIEISA-N 1 1 289.272 3.220 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1cccc(F)c1OCC(F)(F)F ZINC000862348846 629345938 /nfs/dbraw/zinc/34/59/38/629345938.db2.gz IMKOECCRUGDHLP-JTQLQIEISA-N 1 1 289.272 3.220 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@]1(Cc1ccccc1)C(=O)OCC ZINC000792337042 629357680 /nfs/dbraw/zinc/35/76/80/629357680.db2.gz WSLVXLASFCOHBF-IBGZPJMESA-N 1 1 299.414 3.040 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(OC)c(Cl)c2)C1 ZINC000862444873 629378352 /nfs/dbraw/zinc/37/83/52/629378352.db2.gz HVTJMKOPIGXTFO-LBPRGKRZSA-N 1 1 263.768 3.194 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2nc3ccc(OC)cc3s2)C1 ZINC000862445354 629379258 /nfs/dbraw/zinc/37/92/58/629379258.db2.gz RHGDULURPIQDML-GFCCVEGCSA-N 1 1 286.400 3.150 20 30 CGEDMO CC[C@H](C)CON=C1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000793159914 629419177 /nfs/dbraw/zinc/41/91/77/629419177.db2.gz RRSUIINVCAKIHM-GJZGRUSLSA-N 1 1 289.423 3.342 20 30 CGEDMO C#CCCOc1ccc(C[N@H+](C)Cc2cnccc2C)cc1 ZINC000793342287 629445204 /nfs/dbraw/zinc/44/52/04/629445204.db2.gz XEHMPYNPTJZWGB-UHFFFAOYSA-N 1 1 294.398 3.424 20 30 CGEDMO Cc1cccnc1[C@H]1CCCC(=[NH+]n2cccn2)C1 ZINC000863163708 629486935 /nfs/dbraw/zinc/48/69/35/629486935.db2.gz MWAUASABVULYRC-ZDUSSCGKSA-N 1 1 254.337 3.148 20 30 CGEDMO CCCCN[NH+]=Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000794494626 629546521 /nfs/dbraw/zinc/54/65/21/629546521.db2.gz YBHCFEUORZJFEQ-UHFFFAOYSA-N 1 1 287.329 3.495 20 30 CGEDMO C#CC[N@H+](C[C@H](OC(C)C)c1ccccc1)C1CC1 ZINC000794494238 629547010 /nfs/dbraw/zinc/54/70/10/629547010.db2.gz FLOHTEXLQBPEIY-KRWDZBQOSA-N 1 1 257.377 3.250 20 30 CGEDMO FC(F)(F)CCN[NH+]=C1CCCNc2ccccc21 ZINC000794546483 629553664 /nfs/dbraw/zinc/55/36/64/629553664.db2.gz SYGFXGXLMYAEFS-UHFFFAOYSA-N 1 1 271.286 3.138 20 30 CGEDMO N#CC1(C[C@H](O)CNc2ccc([NH+]3CCCCC3)cc2)CC1 ZINC000863557170 629605374 /nfs/dbraw/zinc/60/53/74/629605374.db2.gz KVPZWPHPVKLXAS-KRWDZBQOSA-N 1 1 299.418 3.144 20 30 CGEDMO C#CC[N@H+](CC[C@@H](O)c1ccccc1)C1CCCCC1 ZINC000795877407 629723114 /nfs/dbraw/zinc/72/31/14/629723114.db2.gz HLIYLSJCMIVPNF-GOSISDBHSA-N 1 1 271.404 3.378 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000796334169 629767792 /nfs/dbraw/zinc/76/77/92/629767792.db2.gz NQGHVBCENJQSHU-CHWSQXEVSA-N 1 1 281.362 3.450 20 30 CGEDMO C#CCCC[N@@H+](CC(=C)C)Cc1cnn(C(C)C)c1 ZINC000796455855 629783484 /nfs/dbraw/zinc/78/34/84/629783484.db2.gz SUEIQNUJDKRCNU-UHFFFAOYSA-N 1 1 259.397 3.256 20 30 CGEDMO CC[N@H+](Cc1ccc(OCC#N)cc1)CC1CCC1 ZINC000796534575 629796579 /nfs/dbraw/zinc/79/65/79/629796579.db2.gz VVXFYKZNGBSDPF-UHFFFAOYSA-N 1 1 258.365 3.211 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@](C)(C(=O)NC)C1 ZINC000797525131 629956448 /nfs/dbraw/zinc/95/64/48/629956448.db2.gz BWULRLNBXQOFQT-INIZCTEOSA-N 1 1 268.445 3.195 20 30 CGEDMO C=CCC[N@H+](C)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000798952861 630128452 /nfs/dbraw/zinc/12/84/52/630128452.db2.gz BOZIDVOYQKMYTH-INIZCTEOSA-N 1 1 282.428 3.141 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)C[C@@H](O)c1ccc(F)cn1 ZINC000799292669 630160693 /nfs/dbraw/zinc/16/06/93/630160693.db2.gz KIKDRNPVRFHRPP-OAHLLOKOSA-N 1 1 292.379 3.004 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cn(C2CC2)cn1 ZINC000865605455 630217054 /nfs/dbraw/zinc/21/70/54/630217054.db2.gz AJBLBFMSVKJONS-SFHVURJKSA-N 1 1 292.386 3.257 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](CCCC)Cc1ccccc1O ZINC000801599461 630347657 /nfs/dbraw/zinc/34/76/57/630347657.db2.gz OWNSSUNWRVJBHV-INIZCTEOSA-N 1 1 277.408 3.321 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000801911053 630363824 /nfs/dbraw/zinc/36/38/24/630363824.db2.gz SUWXVMQBQXDTFX-LLVKDONJSA-N 1 1 286.297 3.066 20 30 CGEDMO Cc1ccc(C(C)(C)C[N@H+](C)CCO[C@H](C)C#N)cc1 ZINC000801923446 630368227 /nfs/dbraw/zinc/36/82/27/630368227.db2.gz IBDNTOGOPUWZEB-OAHLLOKOSA-N 1 1 274.408 3.133 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CC[C@@](C)(CCc2ccccc2)C1 ZINC000801926641 630368550 /nfs/dbraw/zinc/36/85/50/630368550.db2.gz UGIFJAMDEPZTJT-SJLPKXTDSA-N 1 1 286.419 3.260 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000801930130 630369441 /nfs/dbraw/zinc/36/94/41/630369441.db2.gz GOZHPNREPZQADY-GUYCJALGSA-N 1 1 270.376 3.067 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000801935024 630369739 /nfs/dbraw/zinc/36/97/39/630369739.db2.gz URBJVCSROSSRBX-ZDUSSCGKSA-N 1 1 290.794 3.358 20 30 CGEDMO Cc1ccc([C@@H]2CC[N@H+](CCO[C@H](C)C#N)C2)c(C)c1 ZINC000801952136 630372920 /nfs/dbraw/zinc/37/29/20/630372920.db2.gz OKKDCQJZCGURBN-HZPDHXFCSA-N 1 1 272.392 3.021 20 30 CGEDMO C#Cc1ccc(C[N@@H+](CCC)C[C@@H]2CCCCO2)cc1 ZINC000809568756 630751700 /nfs/dbraw/zinc/75/17/00/630751700.db2.gz WRUNFVSRJHXJID-SFHVURJKSA-N 1 1 271.404 3.449 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1 ZINC000809594901 630756295 /nfs/dbraw/zinc/75/62/95/630756295.db2.gz CMGBSQRARJHJGZ-ICSRJNTNSA-N 1 1 294.442 3.117 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1 ZINC000809594901 630756299 /nfs/dbraw/zinc/75/62/99/630756299.db2.gz CMGBSQRARJHJGZ-ICSRJNTNSA-N 1 1 294.442 3.117 20 30 CGEDMO CC(C)(C#N)C[NH2+][C@@H]1CSCCc2ccccc21 ZINC000809639647 630772113 /nfs/dbraw/zinc/77/21/13/630772113.db2.gz MPMAESWQBDURMM-CQSZACIVSA-N 1 1 260.406 3.156 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCc3ccc(OC)cc3CC2)cc1 ZINC000809649994 630774309 /nfs/dbraw/zinc/77/43/09/630774309.db2.gz KIFBIVRZHYCPBH-UHFFFAOYSA-N 1 1 291.394 3.277 20 30 CGEDMO C=C[C@H](OC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)(C)C ZINC000810835055 630954176 /nfs/dbraw/zinc/95/41/76/630954176.db2.gz SRJAJUBCXRIXIA-BLLLJJGKSA-N 1 1 285.403 3.343 20 30 CGEDMO C=C[C@@H](OC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)(C)C ZINC000810835058 630954290 /nfs/dbraw/zinc/95/42/90/630954290.db2.gz SRJAJUBCXRIXIA-WBMJQRKESA-N 1 1 285.403 3.343 20 30 CGEDMO C#C[C@@H](CC)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811505101 631077441 /nfs/dbraw/zinc/07/74/41/631077441.db2.gz DMQFTAYVCRFALA-JTQLQIEISA-N 1 1 287.146 3.403 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC(F)(F)[C@H](C)C2)cc1 ZINC000811512754 631080241 /nfs/dbraw/zinc/08/02/41/631080241.db2.gz RUAHQOIMYBHTCV-OLZOCXBDSA-N 1 1 294.345 3.455 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)cc1 ZINC000811512755 631080764 /nfs/dbraw/zinc/08/07/64/631080764.db2.gz RUAHQOIMYBHTCV-QWHCGFSZSA-N 1 1 294.345 3.455 20 30 CGEDMO C#C[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000811516377 631081370 /nfs/dbraw/zinc/08/13/70/631081370.db2.gz NBXCHQBHHXFOEC-ULQDDVLXSA-N 1 1 288.822 3.231 20 30 CGEDMO CC(=NOC1CCC1)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000812237037 631227705 /nfs/dbraw/zinc/22/77/05/631227705.db2.gz HUYOGWHYELKVFB-UHFFFAOYSA-N 1 1 269.348 3.474 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)cc1 ZINC000814169796 631537206 /nfs/dbraw/zinc/53/72/06/631537206.db2.gz MLTAHZGNIADDRB-JKSUJKDBSA-N 1 1 291.341 3.176 20 30 CGEDMO C#CC[N@H+](C)CCCNc1cc(C(C)C)nc(C(C)C)n1 ZINC000814929717 631686328 /nfs/dbraw/zinc/68/63/28/631686328.db2.gz PDCDDOYISSRQNJ-UHFFFAOYSA-N 1 1 288.439 3.090 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000815103380 631718198 /nfs/dbraw/zinc/71/81/98/631718198.db2.gz SRIKYSVCAIADPK-SECBINFHSA-N 1 1 286.253 3.067 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000815103380 631718214 /nfs/dbraw/zinc/71/82/14/631718214.db2.gz SRIKYSVCAIADPK-SECBINFHSA-N 1 1 286.253 3.067 20 30 CGEDMO C[N@H+](Cc1cc(Cl)ccc1O)CC(C)(C)C#N ZINC000816632360 632029210 /nfs/dbraw/zinc/02/92/10/632029210.db2.gz FOBFNHFZMGOTRA-UHFFFAOYSA-N 1 1 252.745 3.027 20 30 CGEDMO C[N@@H+](Cc1cc(Cl)ccc1O)CC(C)(C)C#N ZINC000816632360 632029214 /nfs/dbraw/zinc/02/92/14/632029214.db2.gz FOBFNHFZMGOTRA-UHFFFAOYSA-N 1 1 252.745 3.027 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2C[C@@H](C)[C@H]2C)cc1OC ZINC000816649180 632037276 /nfs/dbraw/zinc/03/72/76/632037276.db2.gz VKVPNMIFFGQSMK-CHWSQXEVSA-N 1 1 261.365 3.100 20 30 CGEDMO CCc1noc(C)c1C[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879434087 635786501 /nfs/dbraw/zinc/78/65/01/635786501.db2.gz NBAYCYQRPSWSCJ-UHFFFAOYSA-N 1 1 283.375 3.092 20 30 CGEDMO Cc1nccn1CCCC[N@H+](C)CCc1cccc(C#N)c1 ZINC000879433591 635786825 /nfs/dbraw/zinc/78/68/25/635786825.db2.gz XVKWHAMCZJGWQO-UHFFFAOYSA-N 1 1 296.418 3.018 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)CCc2ccccn2)cc1 ZINC000120816874 632955516 /nfs/dbraw/zinc/95/55/16/632955516.db2.gz AURWOTNGMOJHNX-HNNXBMFYSA-N 1 1 295.386 3.047 20 30 CGEDMO Cc1cc[nH+]c(NC2CCN(c3ccccc3C#N)CC2)c1 ZINC000866045199 632982752 /nfs/dbraw/zinc/98/27/52/632982752.db2.gz HOOSTIKWTSMYTG-UHFFFAOYSA-N 1 1 292.386 3.343 20 30 CGEDMO C[N@@H+]1Cc2ccccc2[C@H]1CNc1ccc(Cl)c(C#N)n1 ZINC000866194278 633024242 /nfs/dbraw/zinc/02/42/42/633024242.db2.gz HMBFFTWIVFCQQD-OAHLLOKOSA-N 1 1 298.777 3.205 20 30 CGEDMO C[N@H+]1Cc2ccccc2[C@H]1CNc1ccc(Cl)c(C#N)n1 ZINC000866194278 633024248 /nfs/dbraw/zinc/02/42/48/633024248.db2.gz HMBFFTWIVFCQQD-OAHLLOKOSA-N 1 1 298.777 3.205 20 30 CGEDMO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccccn1 ZINC000866214732 633032046 /nfs/dbraw/zinc/03/20/46/633032046.db2.gz QURLRVDBWIXBJD-RYUDHWBXSA-N 1 1 267.332 3.071 20 30 CGEDMO C#C[C@H]([NH2+]Cc1cc2ccccc2cc1OC)[C@@H]1CCCO1 ZINC000824196103 633210032 /nfs/dbraw/zinc/21/00/32/633210032.db2.gz ONXOBZRVRAJFOQ-ROUUACIJSA-N 1 1 295.382 3.119 20 30 CGEDMO CCC[C@H](C)[N@@H+](C)Cc1cc(C#N)cnc1Cl ZINC000876582485 634862538 /nfs/dbraw/zinc/86/25/38/634862538.db2.gz PESHLTUCZLYMOJ-JTQLQIEISA-N 1 1 251.761 3.227 20 30 CGEDMO CC[N@@H+](c1ccc(Nc2ncncc2C#N)cc1)C(C)C ZINC000825512802 633361328 /nfs/dbraw/zinc/36/13/28/633361328.db2.gz UWZHWOUHZYCJPT-UHFFFAOYSA-N 1 1 281.363 3.327 20 30 CGEDMO CC[N@H+](c1ccc(Nc2ncncc2C#N)cc1)C(C)C ZINC000825512802 633361340 /nfs/dbraw/zinc/36/13/40/633361340.db2.gz UWZHWOUHZYCJPT-UHFFFAOYSA-N 1 1 281.363 3.327 20 30 CGEDMO COc1cc([C@H](C)[NH2+]CC(C)(C)C#N)ccc1F ZINC000122290342 633363122 /nfs/dbraw/zinc/36/31/22/633363122.db2.gz CZZUIIIUGBZUHC-JTQLQIEISA-N 1 1 250.317 3.035 20 30 CGEDMO C=CCCSCC[NH2+]Cc1c(F)ccc(O)c1F ZINC000826915809 633443768 /nfs/dbraw/zinc/44/37/68/633443768.db2.gz WCOAMGVGTFDGAE-UHFFFAOYSA-N 1 1 273.348 3.069 20 30 CGEDMO C=CCC(F)(F)C(=O)OCc1c(C)cc(C)[nH+]c1C ZINC000869525410 633461995 /nfs/dbraw/zinc/46/19/95/633461995.db2.gz NBGXJBCLWQVQJX-UHFFFAOYSA-N 1 1 269.291 3.261 20 30 CGEDMO CCCCCCCCC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827347360 633483698 /nfs/dbraw/zinc/48/36/98/633483698.db2.gz UOKRBGKLOVTYMC-JKSUJKDBSA-N 1 1 280.456 3.290 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)cc1 ZINC000827377406 633486682 /nfs/dbraw/zinc/48/66/82/633486682.db2.gz XNIZONZCMRVHAB-RTBURBONSA-N 1 1 283.415 3.449 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)C[C@H](O)[C@H](C)c1ccccc1 ZINC000827872598 633528536 /nfs/dbraw/zinc/52/85/36/633528536.db2.gz DOGSKEIZWCHQJB-WBVHZDCISA-N 1 1 274.408 3.023 20 30 CGEDMO C#CC[N@H+](CCCOCC)[C@@H]1CCc2ccccc21 ZINC000123515262 633711437 /nfs/dbraw/zinc/71/14/37/633711437.db2.gz PIXMIVCXIQDNLE-QGZVFWFLSA-N 1 1 257.377 3.036 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1ccc(Cl)c(OC)c1 ZINC000829244397 633716768 /nfs/dbraw/zinc/71/67/68/633716768.db2.gz XCIRKMNLMLZACU-UHFFFAOYSA-N 1 1 251.757 3.192 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)cc1 ZINC000846104681 636143295 /nfs/dbraw/zinc/14/32/95/636143295.db2.gz KFTIBAVGSSRIJS-HNNXBMFYSA-N 1 1 261.315 3.289 20 30 CGEDMO Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C#CC(C)C)cc1 ZINC000829772728 633781486 /nfs/dbraw/zinc/78/14/86/633781486.db2.gz FJYGOEDFYBXEJJ-CQSZACIVSA-N 1 1 295.386 3.017 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](CC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000829789037 633783832 /nfs/dbraw/zinc/78/38/32/633783832.db2.gz MGIBPMHLCDAHIP-QGZVFWFLSA-N 1 1 298.430 3.286 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](C[C@@]2(C)CC2(Cl)Cl)C1 ZINC000829815206 633795530 /nfs/dbraw/zinc/79/55/30/633795530.db2.gz HDDDJJIXXPATLM-VXGBXAGGSA-N 1 1 260.208 3.306 20 30 CGEDMO CCCc1[nH+]ccn1CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000871660767 633814893 /nfs/dbraw/zinc/81/48/93/633814893.db2.gz ZVPWDYUMMQRTIT-SFHVURJKSA-N 1 1 295.386 3.276 20 30 CGEDMO CCCCCCCCC[N@H+]1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000831727874 633995922 /nfs/dbraw/zinc/99/59/22/633995922.db2.gz ALAPIOYLMXPOFX-JKSUJKDBSA-N 1 1 252.446 3.373 20 30 CGEDMO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872082601 634006374 /nfs/dbraw/zinc/00/63/74/634006374.db2.gz YAYQFBADOZHRDR-OUAUKWLOSA-N 1 1 277.299 3.077 20 30 CGEDMO C=C(Cl)C[C@H]([NH3+])c1nc(COc2ccccc2C)no1 ZINC000872174935 634078764 /nfs/dbraw/zinc/07/87/64/634078764.db2.gz HUORPBJJWLPPKI-NSHDSACASA-N 1 1 293.754 3.099 20 30 CGEDMO c1ccc(C[N@H+]2CCC(=NNC3CC3)[C@H]3CCC[C@@H]32)cc1 ZINC000834968253 634297728 /nfs/dbraw/zinc/29/77/28/634297728.db2.gz GHIHJJVDTFIJGU-AEFFLSMTSA-N 1 1 283.419 3.169 20 30 CGEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)CN=Nc1ccncn1 ZINC000835001979 634308501 /nfs/dbraw/zinc/30/85/01/634308501.db2.gz MEWXPFQOGLKPRJ-UHFFFAOYSA-N 1 1 297.406 3.033 20 30 CGEDMO CC(C)[N@@H+](C/C=C/c1ccc(N(C)C)cc1)CCC#N ZINC000835025775 634324509 /nfs/dbraw/zinc/32/45/09/634324509.db2.gz NIJGKNASVOAGGA-FNORWQNLSA-N 1 1 271.408 3.390 20 30 CGEDMO CC(C)[N@H+](C/C=C/c1ccc(N(C)C)cc1)CCC#N ZINC000835025775 634324511 /nfs/dbraw/zinc/32/45/11/634324511.db2.gz NIJGKNASVOAGGA-FNORWQNLSA-N 1 1 271.408 3.390 20 30 CGEDMO CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000835047029 634333424 /nfs/dbraw/zinc/33/34/24/634333424.db2.gz BSBGCFLBVFDAMF-WLPBJKJWSA-N 1 1 283.419 3.391 20 30 CGEDMO CN(C)c1ccc(/C=C\C[N@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000835047029 634333433 /nfs/dbraw/zinc/33/34/33/634333433.db2.gz BSBGCFLBVFDAMF-WLPBJKJWSA-N 1 1 283.419 3.391 20 30 CGEDMO C#CCCCCCC[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000876773001 634897133 /nfs/dbraw/zinc/89/71/33/634897133.db2.gz LDTLZYFFYGYFOD-FQEVSTJZSA-N 1 1 291.460 3.440 20 30 CGEDMO C#CCCCCCC[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000876780543 634898135 /nfs/dbraw/zinc/89/81/35/634898135.db2.gz WPLPSCRBLSTOMM-KRWDZBQOSA-N 1 1 263.425 3.319 20 30 CGEDMO C[C@H]([N@H+](C)Cc1cc(C#N)cnc1Cl)C1(C)CC1 ZINC000876805599 634901616 /nfs/dbraw/zinc/90/16/16/634901616.db2.gz FKLPUSLGCSPPTL-JTQLQIEISA-N 1 1 263.772 3.227 20 30 CGEDMO C[C@H]([N@@H+](C)Cc1cc(C#N)cnc1Cl)C1(C)CC1 ZINC000876805599 634901619 /nfs/dbraw/zinc/90/16/19/634901619.db2.gz FKLPUSLGCSPPTL-JTQLQIEISA-N 1 1 263.772 3.227 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@@H]1COC(=O)c1sccc1C#N ZINC000837484128 634917777 /nfs/dbraw/zinc/91/77/77/634917777.db2.gz FZEDCCUNYNYVTD-CYBMUJFWSA-N 1 1 292.404 3.039 20 30 CGEDMO C#CCCCCCC[NH2+]C1CCN(CCC)CC1 ZINC000877143658 635000803 /nfs/dbraw/zinc/00/08/03/635000803.db2.gz USDVSTXSOZTKHZ-UHFFFAOYSA-N 1 1 250.430 3.034 20 30 CGEDMO C[C@H]1CCCC[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877407889 635036973 /nfs/dbraw/zinc/03/69/73/635036973.db2.gz DYEPQEXTSGWGTM-NSHDSACASA-N 1 1 263.772 3.229 20 30 CGEDMO C[C@@H]([NH2+]CC(C)(C)CC#N)c1ccc(F)cc1O ZINC000840786759 635052433 /nfs/dbraw/zinc/05/24/33/635052433.db2.gz CWXZOQZKKOCOHG-SNVBAGLBSA-N 1 1 250.317 3.122 20 30 CGEDMO CC(C)(C)Oc1cccc(C[NH2+]CC2(C#N)CC2)c1 ZINC000877495139 635060485 /nfs/dbraw/zinc/06/04/85/635060485.db2.gz YSNMPBMSXAGMJD-UHFFFAOYSA-N 1 1 258.365 3.257 20 30 CGEDMO CC[C@H](CSC)[N@H+](C)Cc1cc(C#N)cnc1Cl ZINC000877531528 635074934 /nfs/dbraw/zinc/07/49/34/635074934.db2.gz ORSLJRCLOLFDKC-GFCCVEGCSA-N 1 1 283.828 3.180 20 30 CGEDMO CC[C@H](CSC)[N@@H+](C)Cc1cc(C#N)cnc1Cl ZINC000877531528 635074947 /nfs/dbraw/zinc/07/49/47/635074947.db2.gz ORSLJRCLOLFDKC-GFCCVEGCSA-N 1 1 283.828 3.180 20 30 CGEDMO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000877532672 635075081 /nfs/dbraw/zinc/07/50/81/635075081.db2.gz WKBNMPMOCDGEDK-ZWNOBZJWSA-N 1 1 263.772 3.370 20 30 CGEDMO N#Cc1cnc(Cl)c(C[N@@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)c1 ZINC000877568046 635095028 /nfs/dbraw/zinc/09/50/28/635095028.db2.gz FORCBNMHFQARJG-CABCVRRESA-N 1 1 287.794 3.227 20 30 CGEDMO N#Cc1cnc(Cl)c(C[N@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)c1 ZINC000877568046 635095031 /nfs/dbraw/zinc/09/50/31/635095031.db2.gz FORCBNMHFQARJG-CABCVRRESA-N 1 1 287.794 3.227 20 30 CGEDMO C[C@H]1[C@@H](C)[N@H+](Cc2cc(C#N)cnc2Cl)C[C@H]1C ZINC000877593891 635105953 /nfs/dbraw/zinc/10/59/53/635105953.db2.gz ITBRDGHFNBSZCT-GMTAPVOTSA-N 1 1 263.772 3.083 20 30 CGEDMO COc1cnc(F)c(C[NH2+]C(C)(C)c2cccc(C#N)c2)c1 ZINC000877623271 635117876 /nfs/dbraw/zinc/11/78/76/635117876.db2.gz KJCSYGJEJWQKPQ-UHFFFAOYSA-N 1 1 299.349 3.126 20 30 CGEDMO Cc1ccc(CCC[N@H+](C)CCc2cccc(C#N)c2)cn1 ZINC000877704086 635155765 /nfs/dbraw/zinc/15/57/65/635155765.db2.gz HMJLMZRJSYWCJW-UHFFFAOYSA-N 1 1 293.414 3.369 20 30 CGEDMO Cc1nn(C(C)C)cc1C[N@@H+](C)CCc1cccc(C#N)c1 ZINC000877704833 635156742 /nfs/dbraw/zinc/15/67/42/635156742.db2.gz NNVOUEJMICFJSD-UHFFFAOYSA-N 1 1 296.418 3.319 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000877795917 635207277 /nfs/dbraw/zinc/20/72/77/635207277.db2.gz AANQDULECBYPBJ-MRXNPFEDSA-N 1 1 289.419 3.234 20 30 CGEDMO CC(C)(O)[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000877836709 635236884 /nfs/dbraw/zinc/23/68/84/635236884.db2.gz HLMHCFJKIAUWHU-MRXNPFEDSA-N 1 1 286.419 3.081 20 30 CGEDMO C=CC[C@H](C)[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000877922979 635271990 /nfs/dbraw/zinc/27/19/90/635271990.db2.gz YLOZPBJQTQSDJY-AWEZNQCLSA-N 1 1 255.365 3.269 20 30 CGEDMO C#CCCCCC[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000877930594 635276515 /nfs/dbraw/zinc/27/65/15/635276515.db2.gz NIASGPMRDMZSEK-UHFFFAOYSA-N 1 1 298.430 3.028 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000842167366 635303671 /nfs/dbraw/zinc/30/36/71/635303671.db2.gz PYQFPGMMOYZFAK-HZSPNIEDSA-N 1 1 252.402 3.062 20 30 CGEDMO C=C(Br)C[N@@H+]1CCSC[C@H]1C1CCC1 ZINC000842171209 635304605 /nfs/dbraw/zinc/30/46/05/635304605.db2.gz PZWSLYPGWNCLCQ-NSHDSACASA-N 1 1 276.243 3.113 20 30 CGEDMO C=C(Br)C[N@H+]1CCSC[C@H]1C1CCC1 ZINC000842171209 635304606 /nfs/dbraw/zinc/30/46/06/635304606.db2.gz PZWSLYPGWNCLCQ-NSHDSACASA-N 1 1 276.243 3.113 20 30 CGEDMO Cc1conc1C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000878005993 635316485 /nfs/dbraw/zinc/31/64/85/635316485.db2.gz ZWZIPPSJOYFZAT-UHFFFAOYSA-N 1 1 269.348 3.265 20 30 CGEDMO Cc1conc1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000878005993 635316493 /nfs/dbraw/zinc/31/64/93/635316493.db2.gz ZWZIPPSJOYFZAT-UHFFFAOYSA-N 1 1 269.348 3.265 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000878053844 635340199 /nfs/dbraw/zinc/34/01/99/635340199.db2.gz RGNPDEFZCZTPAE-UONOGXRCSA-N 1 1 282.428 3.140 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)C[C@H]1CCC2(CCC2)O1 ZINC000878121057 635366778 /nfs/dbraw/zinc/36/67/78/635366778.db2.gz HETFXGDGQSGVPX-CQSZACIVSA-N 1 1 264.413 3.350 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@H]1CCC2(CCC2)O1 ZINC000878121057 635366783 /nfs/dbraw/zinc/36/67/83/635366783.db2.gz HETFXGDGQSGVPX-CQSZACIVSA-N 1 1 264.413 3.350 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@H]1CC2(CO1)CCOCC2 ZINC000878125675 635368597 /nfs/dbraw/zinc/36/85/97/635368597.db2.gz QFEMLCRAZISRKA-MRXNPFEDSA-N 1 1 281.440 3.250 20 30 CGEDMO Clc1cccc(N2CCCC2)c1C=[NH+]NC12CC(C1)C2 ZINC000842545545 635398286 /nfs/dbraw/zinc/39/82/86/635398286.db2.gz HXAFGPSJXYDXFM-UHFFFAOYSA-N 1 1 289.810 3.416 20 30 CGEDMO C=C/C=C/CC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000878322884 635461959 /nfs/dbraw/zinc/46/19/59/635461959.db2.gz QOKOMNSFGCCQMW-REMYHPOOSA-N 1 1 268.360 3.064 20 30 CGEDMO C=C/C=C/CC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000878322884 635461961 /nfs/dbraw/zinc/46/19/61/635461961.db2.gz QOKOMNSFGCCQMW-REMYHPOOSA-N 1 1 268.360 3.064 20 30 CGEDMO C=CC[C@@H](C)[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000878560015 635556338 /nfs/dbraw/zinc/55/63/38/635556338.db2.gz CNJGOPINOJZAOQ-CABCVRRESA-N 1 1 274.408 3.102 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000878563055 635557147 /nfs/dbraw/zinc/55/71/47/635557147.db2.gz KTUTXVIOCRFAAO-XJKSGUPXSA-N 1 1 282.428 3.188 20 30 CGEDMO C#CCCCCC[N@@H+]1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000878575012 635560450 /nfs/dbraw/zinc/56/04/50/635560450.db2.gz WJFTURYRMUPWOE-LJQANCHMSA-N 1 1 284.447 3.039 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000878626141 635576068 /nfs/dbraw/zinc/57/60/68/635576068.db2.gz NOGLSICFVHRFSM-WMLDXEAASA-N 1 1 277.383 3.017 20 30 CGEDMO C[N@@H+](Cc1cnc2c(C#N)cnn2c1)C1CCCCCCC1 ZINC000843393529 635658382 /nfs/dbraw/zinc/65/83/82/635658382.db2.gz NIQITKJUOLHGGC-UHFFFAOYSA-N 1 1 297.406 3.146 20 30 CGEDMO C#CCCCCC[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000878935981 635660232 /nfs/dbraw/zinc/66/02/32/635660232.db2.gz AFYBEZLELCGMBG-RBUKOAKNSA-N 1 1 285.431 3.278 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cccc(O)c2Cl)C1 ZINC000843423763 635668084 /nfs/dbraw/zinc/66/80/84/635668084.db2.gz QTUNFMFNTUSNMK-GFCCVEGCSA-N 1 1 263.768 3.281 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000843423711 635668921 /nfs/dbraw/zinc/66/89/21/635668921.db2.gz IRHBAOXRRXZNKU-OAHLLOKOSA-N 1 1 279.387 3.312 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000843423711 635668923 /nfs/dbraw/zinc/66/89/23/635668923.db2.gz IRHBAOXRRXZNKU-OAHLLOKOSA-N 1 1 279.387 3.312 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000843423711 635668926 /nfs/dbraw/zinc/66/89/26/635668926.db2.gz IRHBAOXRRXZNKU-OAHLLOKOSA-N 1 1 279.387 3.312 20 30 CGEDMO C#CCCCCC[N@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000879032231 635686150 /nfs/dbraw/zinc/68/61/50/635686150.db2.gz PEDMZJFEVKBUKM-UHFFFAOYSA-N 1 1 285.435 3.326 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000879031972 635686542 /nfs/dbraw/zinc/68/65/42/635686542.db2.gz GDDPTBGXEUQJOS-LBPRGKRZSA-N 1 1 259.397 3.097 20 30 CGEDMO N#CCC1(C[N@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)CC1 ZINC000879057683 635692098 /nfs/dbraw/zinc/69/20/98/635692098.db2.gz UCILOTCZSNMGML-INIZCTEOSA-N 1 1 297.402 3.106 20 30 CGEDMO CC(=O)Nc1cccc2c1C[N@@H+](CCCC(C)(C)C#N)CC2 ZINC000879236083 635730227 /nfs/dbraw/zinc/73/02/27/635730227.db2.gz ZETZLMWBKJTVSC-UHFFFAOYSA-N 1 1 299.418 3.333 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2[C@H](O)c2ccccc2)c1 ZINC000879240878 635730963 /nfs/dbraw/zinc/73/09/63/635730963.db2.gz PSZOHIFAVPPNJV-RTBURBONSA-N 1 1 292.382 3.256 20 30 CGEDMO CCN(C)c1ccc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)cc1 ZINC000879309414 635752117 /nfs/dbraw/zinc/75/21/17/635752117.db2.gz NAMIUXVULQQKDO-RDJZCZTQSA-N 1 1 271.408 3.267 20 30 CGEDMO C[N@H+](C[C@H](O)c1cccc2ccccc21)[C@H]1CCC[C@@H]1C#N ZINC000879310550 635752247 /nfs/dbraw/zinc/75/22/47/635752247.db2.gz VPRDCXVHSLVERU-MNEFBYGVSA-N 1 1 294.398 3.497 20 30 CGEDMO C[N@@H+](C[C@H](O)c1cccc2ccccc21)[C@H]1CCC[C@@H]1C#N ZINC000879310550 635752254 /nfs/dbraw/zinc/75/22/54/635752254.db2.gz VPRDCXVHSLVERU-MNEFBYGVSA-N 1 1 294.398 3.497 20 30 CGEDMO COc1ccccc1[C@@H]1CCC[N@H+](CCC#N)CC1 ZINC000879728309 635843598 /nfs/dbraw/zinc/84/35/98/635843598.db2.gz QCIVXQUHFQQRNX-CQSZACIVSA-N 1 1 258.365 3.178 20 30 CGEDMO COc1ccccc1[C@@H]1CCC[N@@H+](CCC#N)CC1 ZINC000879728309 635843605 /nfs/dbraw/zinc/84/36/05/635843605.db2.gz QCIVXQUHFQQRNX-CQSZACIVSA-N 1 1 258.365 3.178 20 30 CGEDMO C=CCCCCC[N@H+](C)CN1C(=O)CC12CCCC2 ZINC000844696852 635955238 /nfs/dbraw/zinc/95/52/38/635955238.db2.gz DJUDIAKUMBVRAK-UHFFFAOYSA-N 1 1 264.413 3.167 20 30 CGEDMO C[C@@H]1c2sccc2CC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000880378724 635989750 /nfs/dbraw/zinc/98/97/50/635989750.db2.gz YWIAUCZAXMONTD-WBMJQRKESA-N 1 1 298.411 3.272 20 30 CGEDMO C=CCCC[C@@H]([NH2+]Cc1nnc(C)[nH]1)c1ccccc1 ZINC000880389938 635992219 /nfs/dbraw/zinc/99/22/19/635992219.db2.gz LCXBQXYMIOVNFU-OAHLLOKOSA-N 1 1 270.380 3.300 20 30 CGEDMO CC[N@@H+](Cc1ccc(CC#N)cc1)[C@H](CO)c1ccccc1 ZINC000880464065 636006068 /nfs/dbraw/zinc/00/60/68/636006068.db2.gz PGHMZBIFKJFVEV-LJQANCHMSA-N 1 1 294.398 3.308 20 30 CGEDMO C=C(C)CC[C@H](C)OC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000845867216 636111308 /nfs/dbraw/zinc/11/13/08/636111308.db2.gz RMJXDBDSUFMBRS-ZDUSSCGKSA-N 1 1 285.347 3.169 20 30 CGEDMO C=CC[N@H+](Cc1cc(OC)c(OC)cc1F)C(C)C ZINC000845904284 636117080 /nfs/dbraw/zinc/11/70/80/636117080.db2.gz QHOQTRCENMXTST-UHFFFAOYSA-N 1 1 267.344 3.239 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCCC1 ZINC000846010056 636129108 /nfs/dbraw/zinc/12/91/08/636129108.db2.gz HQDBVOCXXGGAHO-UHFFFAOYSA-N 1 1 293.754 3.422 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2C[C@H](CC)OC[C@@H]2C)cc1 ZINC000846042916 636137209 /nfs/dbraw/zinc/13/72/09/636137209.db2.gz HNYCPNYYHVOOKX-RDJZCZTQSA-N 1 1 287.403 3.088 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2C[C@H](CC)OC[C@@H]2C)cc1 ZINC000846042916 636137212 /nfs/dbraw/zinc/13/72/12/636137212.db2.gz HNYCPNYYHVOOKX-RDJZCZTQSA-N 1 1 287.403 3.088 20 30 CGEDMO C#CC[C@@H]([NH2+]Cc1cnc(CC)o1)c1ccccc1 ZINC000930217262 636190761 /nfs/dbraw/zinc/19/07/61/636190761.db2.gz LPZVDCZOPSVMLP-OAHLLOKOSA-N 1 1 254.333 3.091 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cn1)Cc1ccccc1O ZINC000846810602 636247749 /nfs/dbraw/zinc/24/77/49/636247749.db2.gz XWUNIUAMJACROY-UHFFFAOYSA-N 1 1 281.359 3.071 20 30 CGEDMO C=C(Cl)C[N@H+](Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC000846999664 636305439 /nfs/dbraw/zinc/30/54/39/636305439.db2.gz HRGWNLBWJJAAEK-SHTZXODSSA-N 1 1 295.810 3.250 20 30 CGEDMO C=C(Cl)C[N@@H+](Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC000846999664 636305442 /nfs/dbraw/zinc/30/54/42/636305442.db2.gz HRGWNLBWJJAAEK-SHTZXODSSA-N 1 1 295.810 3.250 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ncc(-c3ccc(C)cc3)o2)C1 ZINC000847023893 636315883 /nfs/dbraw/zinc/31/58/83/636315883.db2.gz GHWPJNVCIHTGGG-HNNXBMFYSA-N 1 1 280.371 3.495 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ncc(-c3ccc(C)cc3)o2)C1 ZINC000847023893 636315890 /nfs/dbraw/zinc/31/58/90/636315890.db2.gz GHWPJNVCIHTGGG-HNNXBMFYSA-N 1 1 280.371 3.495 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000847024817 636316098 /nfs/dbraw/zinc/31/60/98/636316098.db2.gz SYUNCBOMEMVQBB-CYBMUJFWSA-N 1 1 268.335 3.219 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(Br)cs2)C1 ZINC000847026428 636317449 /nfs/dbraw/zinc/31/74/49/636317449.db2.gz PJIYHRZVJATQDM-SNVBAGLBSA-N 1 1 284.222 3.356 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(Br)cs2)C1 ZINC000847026428 636317452 /nfs/dbraw/zinc/31/74/52/636317452.db2.gz PJIYHRZVJATQDM-SNVBAGLBSA-N 1 1 284.222 3.356 20 30 CGEDMO CCCCOC(=O)C(C)(C)[NH2+]CCCC(C)(C)C#N ZINC000847062290 636325535 /nfs/dbraw/zinc/32/55/35/636325535.db2.gz PVSFRGDUTAFMRD-UHFFFAOYSA-N 1 1 268.401 3.028 20 30 CGEDMO C#CCOc1ccc(CNc2cc(C)cc[nH+]2)cc1 ZINC000131090771 636554759 /nfs/dbraw/zinc/55/47/59/636554759.db2.gz LTDBFOHZTMWXOZ-UHFFFAOYSA-N 1 1 252.317 3.014 20 30 CGEDMO O=[N+]([O-])c1ccc(N=NC2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000848398114 636566527 /nfs/dbraw/zinc/56/65/27/636566527.db2.gz CYJOSYJHEQSWSG-HNNXBMFYSA-N 1 1 288.351 3.011 20 30 CGEDMO Cn1c(Cl)ncc1C[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000848542719 636597709 /nfs/dbraw/zinc/59/77/09/636597709.db2.gz CJDSZFWHRCJVKC-AWEZNQCLSA-N 1 1 288.782 3.208 20 30 CGEDMO N#CCCCC[C@H]([NH3+])c1nc([C@@H]2CCCCS2)no1 ZINC000848625399 636623358 /nfs/dbraw/zinc/62/33/58/636623358.db2.gz SNYARGZWTUPGKS-QWRGUYRKSA-N 1 1 280.397 3.112 20 30 CGEDMO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)OCc1ccccc1 ZINC000848921969 636692608 /nfs/dbraw/zinc/69/26/08/636692608.db2.gz YFLPWRRMJKGZNH-KKUMJFAQSA-N 1 1 275.392 3.309 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000848923488 636694136 /nfs/dbraw/zinc/69/41/36/636694136.db2.gz FIVXQHJVHPOVRD-ZDUSSCGKSA-N 1 1 283.350 3.061 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000848924445 636696974 /nfs/dbraw/zinc/69/69/74/636696974.db2.gz SNOTYTQFBKUDRH-ZDUSSCGKSA-N 1 1 283.400 3.050 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000848924489 636697327 /nfs/dbraw/zinc/69/73/27/636697327.db2.gz UADVEIDDIJYVNT-CQSZACIVSA-N 1 1 250.345 3.080 20 30 CGEDMO CC(C)[C@H]1CC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000134980313 637060694 /nfs/dbraw/zinc/06/06/94/637060694.db2.gz CNVVRMJELPASRO-INIZCTEOSA-N 1 1 272.392 3.305 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1ccc(OC)c(OC(F)F)c1 ZINC000134992151 637061810 /nfs/dbraw/zinc/06/18/10/637061810.db2.gz MDKSJAMGXNWQMW-UHFFFAOYSA-N 1 1 277.698 3.139 20 30 CGEDMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000885929492 637315522 /nfs/dbraw/zinc/31/55/22/637315522.db2.gz QQSZSDVUGIIOMJ-XJKSGUPXSA-N 1 1 290.382 3.263 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)C[C@@H]1C[C@]12CCOC2 ZINC000885937579 637321435 /nfs/dbraw/zinc/32/14/35/637321435.db2.gz DCNODRPMZWYGCS-IRXDYDNUSA-N 1 1 257.377 3.101 20 30 CGEDMO C[C@@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCC2)Cc2ccccc21 ZINC000885943694 637324599 /nfs/dbraw/zinc/32/45/99/637324599.db2.gz AFXMPGKLPSPOCQ-ZBFHGGJFSA-N 1 1 284.403 3.051 20 30 CGEDMO N#CC1(C[C@H](O)C[N@H+]2CCC3(C2)CCCCC3)CCC1 ZINC000886020809 637369662 /nfs/dbraw/zinc/36/96/62/637369662.db2.gz IQSMXVPNKZXYHO-HNNXBMFYSA-N 1 1 276.424 3.087 20 30 CGEDMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886072298 637399722 /nfs/dbraw/zinc/39/97/22/637399722.db2.gz CMCVLXCNLKMAAH-HRCADAONSA-N 1 1 278.440 3.332 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@@H]1C[C@]12CCOC2 ZINC000886181415 637450493 /nfs/dbraw/zinc/45/04/93/637450493.db2.gz LBCBLVHOZLTNGQ-ROUUACIJSA-N 1 1 271.404 3.491 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CC[C@@H](OC)C1 ZINC000851729913 637479034 /nfs/dbraw/zinc/47/90/34/637479034.db2.gz SAXJBIPPFDDFKJ-DLBZAZTESA-N 1 1 272.392 3.338 20 30 CGEDMO C[C@H]1c2sccc2CC[N@@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886318034 637498267 /nfs/dbraw/zinc/49/82/67/637498267.db2.gz IALHSRRIPRIMKT-GXTWGEPZSA-N 1 1 290.432 3.112 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](CC(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000886353122 637509685 /nfs/dbraw/zinc/50/96/85/637509685.db2.gz BZRLDJJGLHKIJD-MRXNPFEDSA-N 1 1 298.430 3.402 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](C[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000886367142 637515224 /nfs/dbraw/zinc/51/52/24/637515224.db2.gz LUFCFKIBPGPVMY-KBAYOESNSA-N 1 1 269.388 3.252 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2oc(-c3ccccc3)nc2C)C1 ZINC000886365684 637516299 /nfs/dbraw/zinc/51/62/99/637516299.db2.gz NQTBOICYOOAPPK-OAHLLOKOSA-N 1 1 280.371 3.495 20 30 CGEDMO C#CCOCC[N@@H+]1CC=C(c2c(C)[nH]c3ccccc32)CC1 ZINC000851844723 637520301 /nfs/dbraw/zinc/52/03/01/637520301.db2.gz BLXRGRRGWLEUSH-UHFFFAOYSA-N 1 1 294.398 3.215 20 30 CGEDMO C=CCSCC[NH2+][C@H](C)c1c(O)cccc1F ZINC000886545065 637571960 /nfs/dbraw/zinc/57/19/60/637571960.db2.gz GOONEGPJNIEQMQ-SNVBAGLBSA-N 1 1 255.358 3.101 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](C[C@H]2CCc3ccccc32)C1 ZINC000852319508 637632693 /nfs/dbraw/zinc/63/26/93/637632693.db2.gz NXUCFTHGTATKSL-GOEBONIOSA-N 1 1 254.377 3.342 20 30 CGEDMO CCCCCC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000852318774 637633742 /nfs/dbraw/zinc/63/37/42/637633742.db2.gz AXUBTHZWUHNDCW-CVEARBPZSA-N 1 1 293.455 3.087 20 30 CGEDMO CCCCCC[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000852318774 637633749 /nfs/dbraw/zinc/63/37/49/637633749.db2.gz AXUBTHZWUHNDCW-CVEARBPZSA-N 1 1 293.455 3.087 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000852320299 637634808 /nfs/dbraw/zinc/63/48/08/637634808.db2.gz YTVWJMWFKGKGGR-ABAIWWIYSA-N 1 1 296.773 3.138 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000852320299 637634817 /nfs/dbraw/zinc/63/48/17/637634817.db2.gz YTVWJMWFKGKGGR-ABAIWWIYSA-N 1 1 296.773 3.138 20 30 CGEDMO C=C(CC)C[N@@H+]1Cc2ccc(NC(=O)C(F)(F)F)cc2C1 ZINC000852335541 637636719 /nfs/dbraw/zinc/63/67/19/637636719.db2.gz JJYRUHFXMHORMJ-UHFFFAOYSA-N 1 1 298.308 3.469 20 30 CGEDMO C=C(CC)C[N@H+]1Cc2ccc(NC(=O)C(F)(F)F)cc2C1 ZINC000852335541 637636722 /nfs/dbraw/zinc/63/67/22/637636722.db2.gz JJYRUHFXMHORMJ-UHFFFAOYSA-N 1 1 298.308 3.469 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CCCNC(=O)OC(C)(C)C)C1 ZINC000852408803 637647778 /nfs/dbraw/zinc/64/77/78/637647778.db2.gz AZHXUYRRVIDLIJ-CQSZACIVSA-N 1 1 282.428 3.189 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886685782 637649524 /nfs/dbraw/zinc/64/95/24/637649524.db2.gz BUDRKHCXRWQGQF-QGZVFWFLSA-N 1 1 292.386 3.036 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](C[C@@H](O)c2c(F)cccc2F)C1 ZINC000852410467 637649549 /nfs/dbraw/zinc/64/95/49/637649549.db2.gz MKFWLURSWUDIKW-SWLSCSKDSA-N 1 1 281.346 3.286 20 30 CGEDMO C#CCC[N@H+]1C[C@@H](c2cccc(F)c2)OCC1(C)C ZINC000852550711 637676964 /nfs/dbraw/zinc/67/69/64/637676964.db2.gz LUFWQAWFLIQCRT-HNNXBMFYSA-N 1 1 261.340 3.001 20 30 CGEDMO C#CCC[N@@H+]1C[C@@H](c2cccc(F)c2)OCC1(C)C ZINC000852550711 637676970 /nfs/dbraw/zinc/67/69/70/637676970.db2.gz LUFWQAWFLIQCRT-HNNXBMFYSA-N 1 1 261.340 3.001 20 30 CGEDMO C=CC[N@@H+](Cc1cccc2nsnc21)C(C)(C)C ZINC000852554474 637678635 /nfs/dbraw/zinc/67/86/35/637678635.db2.gz NXRIUKRWYMKPHU-UHFFFAOYSA-N 1 1 261.394 3.478 20 30 CGEDMO C=CC[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)C ZINC000852554564 637678962 /nfs/dbraw/zinc/67/89/62/637678962.db2.gz RMBAMHGVGLOJRV-UHFFFAOYSA-N 1 1 293.323 3.290 20 30 CGEDMO C=CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)C ZINC000852554564 637678965 /nfs/dbraw/zinc/67/89/65/637678965.db2.gz RMBAMHGVGLOJRV-UHFFFAOYSA-N 1 1 293.323 3.290 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OC(C)=O)cc1 ZINC000852685793 637695680 /nfs/dbraw/zinc/69/56/80/637695680.db2.gz KLMGNDQHLXPEHR-IYBDPMFKSA-N 1 1 271.360 3.295 20 30 CGEDMO CCCCC[C@@H]1CCCC[N@H+]1CCO[C@H](C)C#N ZINC000852710906 637698402 /nfs/dbraw/zinc/69/84/02/637698402.db2.gz ATDYHWFYIDSRNG-HUUCEWRRSA-N 1 1 252.402 3.350 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886821409 637706380 /nfs/dbraw/zinc/70/63/80/637706380.db2.gz BVLXMAWTVIEVHE-CZUORRHYSA-N 1 1 290.794 3.213 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1ccc(SC(F)F)cc1 ZINC000852752312 637706717 /nfs/dbraw/zinc/70/67/17/637706717.db2.gz YJLZDPWNJBLSAP-UHFFFAOYSA-N 1 1 299.386 3.473 20 30 CGEDMO C#Cc1cccnc1N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000853444233 637845970 /nfs/dbraw/zinc/84/59/70/637845970.db2.gz FQBYFDKCDRZEGO-YJBOKZPZSA-N 1 1 291.398 3.138 20 30 CGEDMO C=CC[N@H+](Cn1ncc(Cl)c1C1CC1)C(C)C ZINC000853491665 637856051 /nfs/dbraw/zinc/85/60/51/637856051.db2.gz XGJHQCZFDIJRPJ-UHFFFAOYSA-N 1 1 253.777 3.268 20 30 CGEDMO C=CC[N@@H+](Cn1ncc(Cl)c1C1CC1)C(C)C ZINC000853491665 637856054 /nfs/dbraw/zinc/85/60/54/637856054.db2.gz XGJHQCZFDIJRPJ-UHFFFAOYSA-N 1 1 253.777 3.268 20 30 CGEDMO C=C1CC(c2noc([C@H]3CC[N@@H+]3C3CCCC3)n2)C1 ZINC000924122486 638302092 /nfs/dbraw/zinc/30/20/92/638302092.db2.gz KCCSPJBIYUECBY-CYBMUJFWSA-N 1 1 259.353 3.193 20 30 CGEDMO C=C1CC(c2noc([C@H]3CC[N@H+]3C3CCCC3)n2)C1 ZINC000924122486 638302096 /nfs/dbraw/zinc/30/20/96/638302096.db2.gz KCCSPJBIYUECBY-CYBMUJFWSA-N 1 1 259.353 3.193 20 30 CGEDMO C#C[C@H](CCC)NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857191812 638470388 /nfs/dbraw/zinc/47/03/88/638470388.db2.gz SZPQQSFZHAOWHY-ZWKOTPCHSA-N 1 1 298.430 3.028 20 30 CGEDMO CC(C)[NH+](CCCN[C@H](C)CC(C)(C)C#N)C(C)C ZINC000925196456 638473994 /nfs/dbraw/zinc/47/39/94/638473994.db2.gz MSTYKORUUWJFAV-OAHLLOKOSA-N 1 1 267.461 3.413 20 30 CGEDMO N#CCc1ccc(CN[C@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1 ZINC000925704161 638572431 /nfs/dbraw/zinc/57/24/31/638572431.db2.gz IMHXOHDGRZOXTM-OALUTQOASA-N 1 1 297.446 3.011 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@H]2CCCc3scnc32)cc1 ZINC000858351369 638690247 /nfs/dbraw/zinc/69/02/47/638690247.db2.gz PTLFKXNQNMWCOX-ZDUSSCGKSA-N 1 1 269.373 3.182 20 30 CGEDMO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@H](C)CC(C)(C)C#N)[nH]1 ZINC000926274542 638757972 /nfs/dbraw/zinc/75/79/72/638757972.db2.gz BEBCPRSANCUTEW-TUAOUCFPSA-N 1 1 277.416 3.297 20 30 CGEDMO CC(C)n1cc([C@@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)nn1 ZINC000926314705 638762273 /nfs/dbraw/zinc/76/22/73/638762273.db2.gz HQAALMAXKLPBTM-WBMJQRKESA-N 1 1 295.390 3.069 20 30 CGEDMO C=CC[C@H](CC)[NH2+]C1CCN(CCC(C)C)CC1 ZINC000926350259 638765253 /nfs/dbraw/zinc/76/52/53/638765253.db2.gz IUJPUPVILPNNHB-HNNXBMFYSA-N 1 1 252.446 3.441 20 30 CGEDMO CC(C)CC[NH+]1CCC(NCC(C)(C)CC#N)CC1 ZINC000926570866 638786789 /nfs/dbraw/zinc/78/67/89/638786789.db2.gz ZUBTWUWVVJNDLP-UHFFFAOYSA-N 1 1 265.445 3.026 20 30 CGEDMO C=CCn1ncc2ccc(N[C@@H]3C[C@H](C)[N@H+](C4CC4)C3)cc21 ZINC000927068876 638837674 /nfs/dbraw/zinc/83/76/74/638837674.db2.gz ZNFLPZMBEFGUJF-XJKSGUPXSA-N 1 1 296.418 3.259 20 30 CGEDMO CC[N@@H+](CCCCC1(C#N)CCC1)C[C@H]1CCOC1 ZINC000929287903 638915352 /nfs/dbraw/zinc/91/53/52/638915352.db2.gz PNZWVUSHQBFTJG-OAHLLOKOSA-N 1 1 264.413 3.209 20 30 CGEDMO CC[N@@H+](Cc1ccc(N)nc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000929334554 638919577 /nfs/dbraw/zinc/91/95/77/638919577.db2.gz WFXUGNMUWBEXEL-ZDUSSCGKSA-N 1 1 280.375 3.119 20 30 CGEDMO C[C@H]1CSCC[N@@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000929689908 638941240 /nfs/dbraw/zinc/94/12/40/638941240.db2.gz ZYITZFQYPKTGOB-JTQLQIEISA-N 1 1 266.797 3.149 20 30 CGEDMO C[C@H]1CSCC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000929689908 638941242 /nfs/dbraw/zinc/94/12/42/638941242.db2.gz ZYITZFQYPKTGOB-JTQLQIEISA-N 1 1 266.797 3.149 20 30 CGEDMO CCN(CC)[C@@H]1CC[N@H+](CCCCC2(C#N)CCC2)C1 ZINC000929748649 638946567 /nfs/dbraw/zinc/94/65/67/638946567.db2.gz AFHRBAKYDMMNAV-MRXNPFEDSA-N 1 1 277.456 3.267 20 30 CGEDMO CCN(CC)[C@@H]1CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000929748649 638946570 /nfs/dbraw/zinc/94/65/70/638946570.db2.gz AFHRBAKYDMMNAV-MRXNPFEDSA-N 1 1 277.456 3.267 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000929753103 638946841 /nfs/dbraw/zinc/94/68/41/638946841.db2.gz KZGKQMDPBPBPTA-CQSZACIVSA-N 1 1 291.782 3.023 20 30 CGEDMO CC[N@@H+](Cc1cncc(C#N)c1)[C@H](C)c1cccc(O)c1 ZINC000929792653 638952443 /nfs/dbraw/zinc/95/24/43/638952443.db2.gz OXCGEKNMUMQHEJ-CYBMUJFWSA-N 1 1 281.359 3.242 20 30 CGEDMO CC[N@H+](C)C[C@@H]1CCN(CCCCC2(C#N)CCC2)C1 ZINC000929791586 638952491 /nfs/dbraw/zinc/95/24/91/638952491.db2.gz UBKDRMBMYPUGDF-INIZCTEOSA-N 1 1 277.456 3.124 20 30 CGEDMO CC[N@@H+](C)C[C@@H]1CCN(CCCCC2(C#N)CCC2)C1 ZINC000929791586 638952493 /nfs/dbraw/zinc/95/24/93/638952493.db2.gz UBKDRMBMYPUGDF-INIZCTEOSA-N 1 1 277.456 3.124 20 30 CGEDMO CC[C@H]1C[N@@H+](CCCCC2(C#N)CCC2)CCCO1 ZINC000930317967 638990381 /nfs/dbraw/zinc/99/03/81/638990381.db2.gz WUSGORVYBKNIQY-HNNXBMFYSA-N 1 1 264.413 3.351 20 30 CGEDMO C[N@@H+](Cc1cncc(C#N)c1)C(C)(C)c1ccccc1 ZINC000930371748 638993495 /nfs/dbraw/zinc/99/34/95/638993495.db2.gz WVDRMJBNEFRJBI-UHFFFAOYSA-N 1 1 265.360 3.320 20 30 CGEDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3c(C)cc(C#N)cc3C)C2)c1 ZINC000930527110 639018714 /nfs/dbraw/zinc/01/87/14/639018714.db2.gz UXABQRWSWPQZLU-QGZVFWFLSA-N 1 1 294.402 3.127 20 30 CGEDMO COC[C@@]1(C)CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000930602851 639035222 /nfs/dbraw/zinc/03/52/22/639035222.db2.gz FERUCXNQCWEURN-HNNXBMFYSA-N 1 1 278.783 3.070 20 30 CGEDMO COC[C@@H]1CCCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000930665760 639049455 /nfs/dbraw/zinc/04/94/55/639049455.db2.gz QPYPOPQZENSYFG-HNNXBMFYSA-N 1 1 264.413 3.351 20 30 CGEDMO Cc1nc(C)c(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)[nH]1 ZINC000930764364 639065549 /nfs/dbraw/zinc/06/55/49/639065549.db2.gz LODAZACZJANFDB-LBPRGKRZSA-N 1 1 268.364 3.091 20 30 CGEDMO Cc1nc(C)c(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)[nH]1 ZINC000930764364 639065553 /nfs/dbraw/zinc/06/55/53/639065553.db2.gz LODAZACZJANFDB-LBPRGKRZSA-N 1 1 268.364 3.091 20 30 CGEDMO COC/C(C)=C\C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000930765555 639065764 /nfs/dbraw/zinc/06/57/64/639065764.db2.gz ZSLVHQBLPDHEQC-YLHGKKIISA-N 1 1 258.365 3.144 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000930884539 639081564 /nfs/dbraw/zinc/08/15/64/639081564.db2.gz DLBXWZANYJFMSH-GFCCVEGCSA-N 1 1 258.752 3.057 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000930884539 639081567 /nfs/dbraw/zinc/08/15/67/639081567.db2.gz DLBXWZANYJFMSH-GFCCVEGCSA-N 1 1 258.752 3.057 20 30 CGEDMO C=CC[N@@H+](C[C@@H]1CCC[C@H](C(F)(F)F)O1)[C@H](C)COC ZINC000930932427 639088070 /nfs/dbraw/zinc/08/80/70/639088070.db2.gz KSGVHCJNXJUFSS-FRRDWIJNSA-N 1 1 295.345 3.009 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000859415042 639138007 /nfs/dbraw/zinc/13/80/07/639138007.db2.gz LTHRKVNBQLCNNO-TZMCWYRMSA-N 1 1 294.345 3.073 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](c3c[nH]c4ncccc34)C2)C1 ZINC000931371602 639141918 /nfs/dbraw/zinc/14/19/18/639141918.db2.gz CWHHFWNMFFEKBR-QLFBSQMISA-N 1 1 294.402 3.435 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000859444751 639141952 /nfs/dbraw/zinc/14/19/52/639141952.db2.gz ZCNUHVYLKDMFCL-GFCCVEGCSA-N 1 1 277.339 3.132 20 30 CGEDMO C[N@@H+](CCCC(C)(F)F)CCc1cccc(C#N)c1 ZINC000931507601 639161757 /nfs/dbraw/zinc/16/17/57/639161757.db2.gz CGUKRUKOKOQFAU-UHFFFAOYSA-N 1 1 266.335 3.468 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000931509003 639162161 /nfs/dbraw/zinc/16/21/61/639162161.db2.gz MMEOBNQFDOLLPW-MUJYYYPQSA-N 1 1 290.357 3.324 20 30 CGEDMO N#CC1CCC(C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)CC1 ZINC000931551358 639169026 /nfs/dbraw/zinc/16/90/26/639169026.db2.gz WWJJJFJMTLCJCU-CVSAEHQPSA-N 1 1 264.438 3.001 20 30 CGEDMO COCC1([N@@H+](C)Cc2c(C)cc(C#N)cc2C)CCC1 ZINC000931623505 639182009 /nfs/dbraw/zinc/18/20/09/639182009.db2.gz RZBCXLATWUTHOC-UHFFFAOYSA-N 1 1 272.392 3.176 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC000859805170 639220204 /nfs/dbraw/zinc/22/02/04/639220204.db2.gz LOHHDSSQJUPXMA-CZUORRHYSA-N 1 1 290.382 3.322 20 30 CGEDMO N#Cc1csc(C[N@@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)n1 ZINC000859926967 639254926 /nfs/dbraw/zinc/25/49/26/639254926.db2.gz RFGRSSSGCJWBBR-CWRNSKLLSA-N 1 1 295.411 3.250 20 30 CGEDMO N#Cc1csc(C[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)n1 ZINC000859926967 639254940 /nfs/dbraw/zinc/25/49/40/639254940.db2.gz RFGRSSSGCJWBBR-CWRNSKLLSA-N 1 1 295.411 3.250 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859927885 639255565 /nfs/dbraw/zinc/25/55/65/639255565.db2.gz BOHOLFPKANQQGA-QSPRXWTASA-N 1 1 254.377 3.414 20 30 CGEDMO N#CC1(CC[NH2+][C@H](c2ncccn2)C2CC2)CCCCC1 ZINC000932355657 639320673 /nfs/dbraw/zinc/32/06/73/639320673.db2.gz IDUSWSPYPYWCFL-HNNXBMFYSA-N 1 1 284.407 3.381 20 30 CGEDMO C=CC1(CC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC000933487577 639454488 /nfs/dbraw/zinc/45/44/88/639454488.db2.gz BXZOUGHBUZNTHX-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO Cc1cccc(C[N@@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)c1 ZINC000933623661 639470305 /nfs/dbraw/zinc/47/03/05/639470305.db2.gz SKKBGLFTXKLXOY-LJQANCHMSA-N 1 1 292.382 3.440 20 30 CGEDMO Cc1cccc(C[N@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)c1 ZINC000933623661 639470310 /nfs/dbraw/zinc/47/03/10/639470310.db2.gz SKKBGLFTXKLXOY-LJQANCHMSA-N 1 1 292.382 3.440 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000933615086 639470824 /nfs/dbraw/zinc/47/08/24/639470824.db2.gz XBDBQLBAUCXJRL-INIZCTEOSA-N 1 1 292.386 3.181 20 30 CGEDMO CC/C=C\CC[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933627703 639471231 /nfs/dbraw/zinc/47/12/31/639471231.db2.gz HPZDTFLRPVMGEV-LIMHQNJXSA-N 1 1 270.376 3.288 20 30 CGEDMO CC/C=C\CC[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933627703 639471236 /nfs/dbraw/zinc/47/12/36/639471236.db2.gz HPZDTFLRPVMGEV-LIMHQNJXSA-N 1 1 270.376 3.288 20 30 CGEDMO N#Cc1ccc([C@@H]2C[N@H+](CCCCCF)CCO2)cc1 ZINC000933631085 639471378 /nfs/dbraw/zinc/47/13/78/639471378.db2.gz ZQPISIXOQMSFFS-INIZCTEOSA-N 1 1 276.355 3.071 20 30 CGEDMO N#Cc1ccc([C@@H]2C[N@@H+](CCCCCF)CCO2)cc1 ZINC000933631085 639471381 /nfs/dbraw/zinc/47/13/81/639471381.db2.gz ZQPISIXOQMSFFS-INIZCTEOSA-N 1 1 276.355 3.071 20 30 CGEDMO C=C/C=C\CC[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933632624 639472375 /nfs/dbraw/zinc/47/23/75/639472375.db2.gz SFXNVCSTHXJUEX-LIMHQNJXSA-N 1 1 268.360 3.064 20 30 CGEDMO C=C/C=C\CC[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933632624 639472379 /nfs/dbraw/zinc/47/23/79/639472379.db2.gz SFXNVCSTHXJUEX-LIMHQNJXSA-N 1 1 268.360 3.064 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000934463180 639611534 /nfs/dbraw/zinc/61/15/34/639611534.db2.gz UOTOZCZMDLIJMB-GRYCIOLGSA-N 1 1 263.303 3.137 20 30 CGEDMO COc1cc([C@@H](C)[NH2+]CCC#N)cc2ccccc21 ZINC000934631662 639645543 /nfs/dbraw/zinc/64/55/43/639645543.db2.gz NFCUKFATRWYKNS-GFCCVEGCSA-N 1 1 254.333 3.413 20 30 CGEDMO C=CCCC[N@@H+](CC)Cc1nncn1-c1ccccc1 ZINC000934645015 639648568 /nfs/dbraw/zinc/64/85/68/639648568.db2.gz LLCZQHGKXZMEQY-UHFFFAOYSA-N 1 1 270.380 3.055 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1nncn1-c1ccccc1 ZINC000934645015 639648576 /nfs/dbraw/zinc/64/85/76/639648576.db2.gz LLCZQHGKXZMEQY-UHFFFAOYSA-N 1 1 270.380 3.055 20 30 CGEDMO C=C(Br)C[N@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000934837143 639686071 /nfs/dbraw/zinc/68/60/71/639686071.db2.gz RONSZWHQIVCKKC-OLZOCXBDSA-N 1 1 288.229 3.034 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000076017534 640167186 /nfs/dbraw/zinc/16/71/86/640167186.db2.gz IQCKJSUIPCYAJS-GFCCVEGCSA-N 1 1 288.819 3.070 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000076017534 640167194 /nfs/dbraw/zinc/16/71/94/640167194.db2.gz IQCKJSUIPCYAJS-GFCCVEGCSA-N 1 1 288.819 3.070 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CCSCC[C@@H]2C)cc1 ZINC000191819770 640332064 /nfs/dbraw/zinc/33/20/64/640332064.db2.gz UKHVHZKGDZGPOQ-HNNXBMFYSA-N 1 1 289.444 3.416 20 30 CGEDMO C#CC[N@H+](CCOC(C)C)[C@@H]1CCc2ccccc21 ZINC000079997223 640442476 /nfs/dbraw/zinc/44/24/76/640442476.db2.gz DSRGMDUMJHPEGT-QGZVFWFLSA-N 1 1 257.377 3.034 20 30 CGEDMO CC(C)C[C@H]1CCCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000246100900 640656817 /nfs/dbraw/zinc/65/68/17/640656817.db2.gz WJOGHZURFCVRCB-QZTJIDSGSA-N 1 1 286.419 3.492 20 30 CGEDMO CC[C@@H]1CC[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000091929546 640726515 /nfs/dbraw/zinc/72/65/15/640726515.db2.gz OGSJSFHFMSIBDU-UONOGXRCSA-N 1 1 258.365 3.209 20 30 CGEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2sccc2C)c1 ZINC000092143605 640731519 /nfs/dbraw/zinc/73/15/19/640731519.db2.gz PVFHUMIWZQQVFC-UHFFFAOYSA-N 1 1 298.411 3.108 20 30 CGEDMO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2sccc2C)c1 ZINC000092143605 640731529 /nfs/dbraw/zinc/73/15/29/640731529.db2.gz PVFHUMIWZQQVFC-UHFFFAOYSA-N 1 1 298.411 3.108 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001007368663 640940637 /nfs/dbraw/zinc/94/06/37/640940637.db2.gz PWUGUSKPENWDIG-ARFHVFGLSA-N 1 1 292.467 3.215 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2C(C)C)C1 ZINC001007459864 640942291 /nfs/dbraw/zinc/94/22/91/640942291.db2.gz PLCDTQRJQBZSHD-INIZCTEOSA-N 1 1 298.430 3.028 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2coc3c2cccc3C)C1 ZINC001007506507 640942378 /nfs/dbraw/zinc/94/23/78/640942378.db2.gz ODXGRCDBSGZCRY-CQSZACIVSA-N 1 1 298.386 3.121 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)c2ccc3occc3c2)C1 ZINC001007397701 640942642 /nfs/dbraw/zinc/94/26/42/640942642.db2.gz UCHOGBSQALIDGI-INIZCTEOSA-N 1 1 298.386 3.203 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)C2CCC3(CC3)CC2)C1 ZINC001007974122 640944944 /nfs/dbraw/zinc/94/49/44/640944944.db2.gz UYKLVAZSZDNJRE-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccccc2CC)C1 ZINC001008330006 640949550 /nfs/dbraw/zinc/94/95/50/640949550.db2.gz KHBFOZWRBJLJQF-INIZCTEOSA-N 1 1 286.419 3.019 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2c(C)cccc2Cl)C1 ZINC001008412513 640951134 /nfs/dbraw/zinc/95/11/34/640951134.db2.gz PYIUECPDRKDRPN-ZDUSSCGKSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)c2cccs2)C1 ZINC001008499202 640952358 /nfs/dbraw/zinc/95/23/58/640952358.db2.gz JEXDCWWMBGDVFX-UONOGXRCSA-N 1 1 292.448 3.008 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(Cl)cs2)C1 ZINC001008751842 640953321 /nfs/dbraw/zinc/95/33/21/640953321.db2.gz VFEZWMXHAUGOHZ-GFCCVEGCSA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2cc(Cl)cs2)C1 ZINC001008751842 640953325 /nfs/dbraw/zinc/95/33/25/640953325.db2.gz VFEZWMXHAUGOHZ-GFCCVEGCSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)cccc2C)C1 ZINC001008633018 640953582 /nfs/dbraw/zinc/95/35/82/640953582.db2.gz TXVBUVUPOQBCLR-MRXNPFEDSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C)cc2Cl)C1 ZINC001008626570 640953921 /nfs/dbraw/zinc/95/39/21/640953921.db2.gz FEJNILGGRRHOTE-CYBMUJFWSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001008988114 640954607 /nfs/dbraw/zinc/95/46/07/640954607.db2.gz PNTVIDCBXAHPHG-BRWVUGGUSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)c2oc3ccccc3c2C)C1 ZINC001009415905 640958742 /nfs/dbraw/zinc/95/87/42/640958742.db2.gz VOSYPARNJMTXNK-CQSZACIVSA-N 1 1 298.386 3.121 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2oc3ccccc3c2C)C1 ZINC001009415905 640958744 /nfs/dbraw/zinc/95/87/44/640958744.db2.gz VOSYPARNJMTXNK-CQSZACIVSA-N 1 1 298.386 3.121 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001009317752 640959536 /nfs/dbraw/zinc/95/95/36/640959536.db2.gz LMESMQREXGAXAU-GOSISDBHSA-N 1 1 298.430 3.028 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001009317752 640959542 /nfs/dbraw/zinc/95/95/42/640959542.db2.gz LMESMQREXGAXAU-GOSISDBHSA-N 1 1 298.430 3.028 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)C23CCC(CC2)CC3)C1 ZINC001009609034 640960627 /nfs/dbraw/zinc/96/06/27/640960627.db2.gz IICZQZDFLIUOES-PQUAAJSLSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C2(C)CCCCCC2)C1 ZINC001014752397 640975874 /nfs/dbraw/zinc/97/58/74/640975874.db2.gz MPUWZWDQQKVUGB-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc(C)c(Cl)c2)C1 ZINC001015642810 640983186 /nfs/dbraw/zinc/98/31/86/640983186.db2.gz CBWULSONXFDDBS-AWEZNQCLSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cc(Cl)ccc2C)C1 ZINC001015867951 640987125 /nfs/dbraw/zinc/98/71/25/640987125.db2.gz MTIVBTCKRJKMFU-CQSZACIVSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001016078640 640991432 /nfs/dbraw/zinc/99/14/32/640991432.db2.gz XNQYPIWCZOOLTK-QGZVFWFLSA-N 1 1 286.419 3.190 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2C2CCC2)C1 ZINC001016133997 640992855 /nfs/dbraw/zinc/99/28/55/640992855.db2.gz UYIPIBLNCUVVKP-MRXNPFEDSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C(C)(C)C ZINC001017664531 641014430 /nfs/dbraw/zinc/01/44/30/641014430.db2.gz IMZPVUGKSXATKL-OAGGEKHMSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]1CC ZINC001017903623 641018782 /nfs/dbraw/zinc/01/87/82/641018782.db2.gz ZAPIFRGFRBOBAO-NCOADZHNSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)cccc1C ZINC001017986946 641019842 /nfs/dbraw/zinc/01/98/42/641019842.db2.gz HVDPQJSYVRHQFG-CALCHBBNSA-N 1 1 298.430 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)cccc1C ZINC001017986946 641019845 /nfs/dbraw/zinc/01/98/45/641019845.db2.gz HVDPQJSYVRHQFG-CALCHBBNSA-N 1 1 298.430 3.168 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCCC[C@H]1C ZINC001018331968 641021746 /nfs/dbraw/zinc/02/17/46/641021746.db2.gz AIUQDUBWDKDZTC-VQHPVUNQSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCCC[C@H]1C ZINC001018331968 641021749 /nfs/dbraw/zinc/02/17/49/641021749.db2.gz AIUQDUBWDKDZTC-VQHPVUNQSA-N 1 1 290.451 3.064 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](F)CCCCCC ZINC001156403828 805684724 /nfs/dbraw/zinc/68/47/24/805684724.db2.gz PVMWQZVRAUOELB-HZPDHXFCSA-N 1 1 298.446 3.145 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)C1(CC)CCCCC1 ZINC001157053784 805770662 /nfs/dbraw/zinc/77/06/62/805770662.db2.gz WAUXJPDBVVSYCX-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccc(C)o1 ZINC001157487091 805820778 /nfs/dbraw/zinc/82/07/78/805820778.db2.gz QCQCBNKPAAIRPG-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)C(CC)CC ZINC001157561558 805835407 /nfs/dbraw/zinc/83/54/07/805835407.db2.gz LUKWFWMMDYYIOM-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)/C(C)=C\CC ZINC001157630190 805845205 /nfs/dbraw/zinc/84/52/05/805845205.db2.gz IZIOWFGENVAWSA-QOBZYLRHSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC1CCC1 ZINC001157754445 805862023 /nfs/dbraw/zinc/86/20/23/805862023.db2.gz IFNMPMTVBGFBHD-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO Cc1[nH+]c(N2CCC3(CCOC3(C)C)CC2)ccc1CC#N ZINC001157805855 805876877 /nfs/dbraw/zinc/87/68/77/805876877.db2.gz IXFVNSMKPAWSDC-UHFFFAOYSA-N 1 1 299.418 3.242 20 30 CGEDMO N#Cc1c[nH]c2cc[nH+]c(NCCCCc3ccccn3)c12 ZINC001157975143 805909909 /nfs/dbraw/zinc/90/99/09/805909909.db2.gz BQFNVJIECXZNDY-UHFFFAOYSA-N 1 1 291.358 3.264 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@H]1CC=CCC1 ZINC001158322215 805938219 /nfs/dbraw/zinc/93/82/19/805938219.db2.gz UHVDOIVENHJYIA-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)C/C=C(/C)C=C ZINC001158335771 805941297 /nfs/dbraw/zinc/94/12/97/805941297.db2.gz BYDOBRCDLXWISO-DDITZMBXSA-N 1 1 276.424 3.008 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1C[N@H+](C)CCC ZINC001158370649 805946735 /nfs/dbraw/zinc/94/67/35/805946735.db2.gz XKUDMKXYBLVRBY-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO Cc1ccc(CCCNc2[nH+]c(C)ccc2CC#N)cn1 ZINC001158377305 805948023 /nfs/dbraw/zinc/94/80/23/805948023.db2.gz LECGEEXRXZYTDV-UHFFFAOYSA-N 1 1 280.375 3.204 20 30 CGEDMO C#C[C@](C)(CC)Nc1[nH+]cnc2c1ccn2C(C)C ZINC001158743753 805995871 /nfs/dbraw/zinc/99/58/71/805995871.db2.gz ZCCOVMFFLYNKAZ-OAHLLOKOSA-N 1 1 256.353 3.226 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CC[C@@H](C)[C@](C)(O)C1 ZINC001252122949 806008708 /nfs/dbraw/zinc/00/87/08/806008708.db2.gz AQWQYPVWAYBXDX-IXDOHACOSA-N 1 1 285.472 3.191 20 30 CGEDMO C#Cc1cc(NC[C@H](O)CCCCCCCC)cc[nH+]1 ZINC001252122584 806008750 /nfs/dbraw/zinc/00/87/50/806008750.db2.gz XQPDVDWFBBLQQY-QGZVFWFLSA-N 1 1 274.408 3.008 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CC[C@@H](C)[C@@](C)(O)C1 ZINC001252122950 806009177 /nfs/dbraw/zinc/00/91/77/806009177.db2.gz AQWQYPVWAYBXDX-ZACQAIPSSA-N 1 1 285.472 3.191 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCOC[C@@H](C)C1 ZINC001252125010 806013005 /nfs/dbraw/zinc/01/30/05/806013005.db2.gz VNCJTIWLEGWKEI-JKSUJKDBSA-N 1 1 271.445 3.066 20 30 CGEDMO CCCCCCCC[C@@H](O)CN1CCn2c(C)[nH+]cc2C1 ZINC001252125461 806013300 /nfs/dbraw/zinc/01/33/00/806013300.db2.gz DPUMPRPABAAHNN-QGZVFWFLSA-N 1 1 293.455 3.119 20 30 CGEDMO CCCCCCCC[C@@H](O)C[NH+]1CCN(CC2CC2)CC1 ZINC001252127561 806013580 /nfs/dbraw/zinc/01/35/80/806013580.db2.gz BRSAVWQJFIZVLF-GOSISDBHSA-N 1 1 296.499 3.126 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+](C)CC1CCOCC1 ZINC001252125312 806013635 /nfs/dbraw/zinc/01/36/35/806013635.db2.gz XJBZKHIPIFJIIX-KRWDZBQOSA-N 1 1 285.472 3.456 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCOC[C@H]1CC ZINC001252129819 806014727 /nfs/dbraw/zinc/01/47/27/806014727.db2.gz FGHPSADDGZZJCP-HZPDHXFCSA-N 1 1 271.445 3.209 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+](CC)CC(C)(C)O ZINC001252130594 806015944 /nfs/dbraw/zinc/01/59/44/806015944.db2.gz UMSWSIDYDSGJDV-HNNXBMFYSA-N 1 1 273.461 3.191 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+]1CCc2nc(C)[nH]c2C1 ZINC001252130819 806017560 /nfs/dbraw/zinc/01/75/60/806017560.db2.gz YPICOXHJBGDWAC-HNNXBMFYSA-N 1 1 293.455 3.188 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCc2nc(C)[nH]c2C1 ZINC001252130819 806017570 /nfs/dbraw/zinc/01/75/70/806017570.db2.gz YPICOXHJBGDWAC-HNNXBMFYSA-N 1 1 293.455 3.188 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC001252134128 806020095 /nfs/dbraw/zinc/02/00/95/806020095.db2.gz VNUKKXDGOKXBMK-HOTGVXAUSA-N 1 1 266.429 3.333 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)c2cccs2)CC1 ZINC001159123774 806046976 /nfs/dbraw/zinc/04/69/76/806046976.db2.gz FMIWKINLUIDUTE-UHFFFAOYSA-N 1 1 290.432 3.076 20 30 CGEDMO C=C[C@@](C)(O)C[N@@H+](Cc1ccccc1)Cc1cccnc1 ZINC001252549766 806061977 /nfs/dbraw/zinc/06/19/77/806061977.db2.gz HWGDQMIOYKYUFX-GOSISDBHSA-N 1 1 282.387 3.021 20 30 CGEDMO C=C[C@](C)(O)C[N@@H+](Cc1ccccc1)Cc1cccnc1 ZINC001252549767 806062013 /nfs/dbraw/zinc/06/20/13/806062013.db2.gz HWGDQMIOYKYUFX-SFHVURJKSA-N 1 1 282.387 3.021 20 30 CGEDMO C=C[C@](C)(O)C[N@@H+](Cc1ccccc1)Cc1ccncc1 ZINC001252548373 806062333 /nfs/dbraw/zinc/06/23/33/806062333.db2.gz QUVDINBKMZTCIC-SFHVURJKSA-N 1 1 282.387 3.021 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001252558785 806062961 /nfs/dbraw/zinc/06/29/61/806062961.db2.gz JCISWUCSGAOQFK-DZGCQCFKSA-N 1 1 265.784 3.066 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1CCC[C@H]1c1c(F)cccc1F ZINC001252557735 806064643 /nfs/dbraw/zinc/06/46/43/806064643.db2.gz KHHJBWLTQZMDKW-ZFWWWQNUSA-N 1 1 267.319 3.039 20 30 CGEDMO C=C[C@@](C)(O)C[N@@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001252561421 806066056 /nfs/dbraw/zinc/06/60/56/806066056.db2.gz FOFZWNGBPXUXGC-CQSZACIVSA-N 1 1 286.202 3.289 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001252561421 806066065 /nfs/dbraw/zinc/06/60/65/806066065.db2.gz FOFZWNGBPXUXGC-CQSZACIVSA-N 1 1 286.202 3.289 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccncc1 ZINC001252593529 806079428 /nfs/dbraw/zinc/07/94/28/806079428.db2.gz JHXRDXSKXCBSGN-IBGZPJMESA-N 1 1 296.414 3.411 20 30 CGEDMO C=CCCC(=O)NCCC1=CC[N@@H+](CCC(C)C)CC1 ZINC001159538671 806117779 /nfs/dbraw/zinc/11/77/79/806117779.db2.gz GRDAGXPCXHPFGC-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)C[N@H+](CC)C[C@H](O)COC[C@H](CC)CCCC ZINC001253006706 806153202 /nfs/dbraw/zinc/15/32/02/806153202.db2.gz LSENPICNGKIQGA-SJORKVTESA-N 1 1 285.472 3.478 20 30 CGEDMO N#Cc1cc(F)c(NC2=C[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)c1 ZINC001159774924 806169589 /nfs/dbraw/zinc/16/95/89/806169589.db2.gz AJMZGTLGCSSJER-ZJUUUORDSA-N 1 1 277.730 3.171 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[NH2+]Cc1nc(CC)co1 ZINC001253226968 806184638 /nfs/dbraw/zinc/18/46/38/806184638.db2.gz DBHDJDHXRFYKCV-OAHLLOKOSA-N 1 1 280.412 3.214 20 30 CGEDMO C=CCCCCCC[C@@H](O)CNc1cc(C)[nH+]c(C)n1 ZINC001253229331 806185440 /nfs/dbraw/zinc/18/54/40/806185440.db2.gz OXNMEPOTBBTDQW-OAHLLOKOSA-N 1 1 277.412 3.393 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCC[C@@](C)(O)[C@@H](C)C1 ZINC001253236353 806188613 /nfs/dbraw/zinc/18/86/13/806188613.db2.gz SJWZDCTUVPHIHV-OKZBNKHCSA-N 1 1 297.483 3.357 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+](C)CC1CCOCC1 ZINC001253233858 806188621 /nfs/dbraw/zinc/18/86/21/806188621.db2.gz PFCQKYFQOADKMZ-QGZVFWFLSA-N 1 1 283.456 3.232 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@H](C)[C@@](C)(O)CC1 ZINC001253233313 806187423 /nfs/dbraw/zinc/18/74/23/806187423.db2.gz CCILHJRVTYNVSN-BZSNNMDCSA-N 1 1 297.483 3.357 20 30 CGEDMO C=CCCCCCC[C@@H](O)CN(C)CCC[NH+]1CCCC1 ZINC001253239188 806190408 /nfs/dbraw/zinc/19/04/08/806190408.db2.gz KUUOEBVJCXQCTQ-GOSISDBHSA-N 1 1 296.499 3.292 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC001253238565 806190996 /nfs/dbraw/zinc/19/09/96/806190996.db2.gz CZXZQSMZHLFUGA-XHSDSOJGSA-N 1 1 251.414 3.358 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@@H](C#N)C1 ZINC001253241679 806192013 /nfs/dbraw/zinc/19/20/13/806192013.db2.gz ZGFMARPJLVHKDN-HOTGVXAUSA-N 1 1 264.413 3.109 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCC[C@@H](C#N)C1 ZINC001253241679 806192018 /nfs/dbraw/zinc/19/20/18/806192018.db2.gz ZGFMARPJLVHKDN-HOTGVXAUSA-N 1 1 264.413 3.109 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CC[C@H]2O[C@@H](C)C[C@H]2C1 ZINC001253234991 806188881 /nfs/dbraw/zinc/18/88/81/806188881.db2.gz HKJXNTFPWMUEOI-WNRNVDISSA-N 1 1 295.467 3.373 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001253250209 806196676 /nfs/dbraw/zinc/19/66/76/806196676.db2.gz VAYUPILJEGTNLA-XMTFNYHQSA-N 1 1 294.483 3.089 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)CC2(C)CCCC2)CC1 ZINC001160021841 806215406 /nfs/dbraw/zinc/21/54/06/806215406.db2.gz ZEQTZTPSCXBYMF-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)/C=C(\C)CC)CC1 ZINC001160042585 806217803 /nfs/dbraw/zinc/21/78/03/806217803.db2.gz JNSHBVVOFGZVDM-CCEZHUSRSA-N 1 1 276.424 3.057 20 30 CGEDMO C=C[C@H](O)C[N@@H+]1CCCC[C@H]1c1ccc(C)c(C)c1 ZINC001253584032 806263235 /nfs/dbraw/zinc/26/32/35/806263235.db2.gz CTCRUAJAIMXGNM-IRXDYDNUSA-N 1 1 259.393 3.377 20 30 CGEDMO C=C[C@@H](O)C[N@H+]1[C@@H]2Cc3ccccc3[C@@]1(C)c1ccccc12 ZINC001253587021 806265482 /nfs/dbraw/zinc/26/54/82/806265482.db2.gz XNGRZHFQPXYCIR-YSGRDPCXSA-N 1 1 291.394 3.410 20 30 CGEDMO C=C[C@@H](O)CNc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC001253591143 806266969 /nfs/dbraw/zinc/26/69/69/806266969.db2.gz SIZUULXJZYIKAW-MRXNPFEDSA-N 1 1 285.391 3.014 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)C[C@@H](O)C(C)(C)C ZINC001253724756 806286613 /nfs/dbraw/zinc/28/66/13/806286613.db2.gz NPUVAMKMNOQDBB-MRXNPFEDSA-N 1 1 261.409 3.472 20 30 CGEDMO CC(C)[C@@H](O)C[N@@H+](CCC#N)C1CCCCCCC1 ZINC001253763369 806301277 /nfs/dbraw/zinc/30/12/77/806301277.db2.gz YBIZSIUFRSMRBI-INIZCTEOSA-N 1 1 266.429 3.332 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)[C@@H](F)CC)CC1 ZINC001160903625 806316434 /nfs/dbraw/zinc/31/64/34/806316434.db2.gz KEUJPQVEIXPTPY-HOCLYGCPSA-N 1 1 296.430 3.228 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)[C@]2(C)C=CCC2)CC1 ZINC001160915330 806321096 /nfs/dbraw/zinc/32/10/96/806321096.db2.gz UPLCYTPVKIEGHK-GOSISDBHSA-N 1 1 288.435 3.057 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1ncc(Cl)cc1Cl ZINC001160952948 806327093 /nfs/dbraw/zinc/32/70/93/806327093.db2.gz KERJOIPWSXUTRU-NSHDSACASA-N 1 1 286.206 3.451 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1nccc2c(OC)cccc21 ZINC001160957961 806329100 /nfs/dbraw/zinc/32/91/00/806329100.db2.gz YKQYLHOQVGBTDB-AWEZNQCLSA-N 1 1 297.402 3.306 20 30 CGEDMO COc1ccc2c[nH+]c(NCc3cncc(C#N)c3)cc2c1 ZINC001160995323 806334167 /nfs/dbraw/zinc/33/41/67/806334167.db2.gz KRPGYRVTVPSXFH-UHFFFAOYSA-N 1 1 290.326 3.122 20 30 CGEDMO C=CCCC1(C(=O)NCCC2=CC[N@@H+](CC=C)CC2)CC1 ZINC001161112283 806350100 /nfs/dbraw/zinc/35/01/00/806350100.db2.gz FVECHKFMVIBRQP-UHFFFAOYSA-N 1 1 288.435 3.057 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCCC1=CC[N@@H+](CCC)CC1 ZINC001161121713 806351280 /nfs/dbraw/zinc/35/12/80/806351280.db2.gz RDHBLKLVYSQCPO-KRWDZBQOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCCC1=CC[N@@H+](CCC)CC1 ZINC001161121714 806351412 /nfs/dbraw/zinc/35/14/12/806351412.db2.gz RDHBLKLVYSQCPO-QGZVFWFLSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCC1(C(=O)NCCC2=CC[N@@H+](CCC)CC2)CCC1 ZINC001161125921 806352124 /nfs/dbraw/zinc/35/21/24/806352124.db2.gz HXUATYMCCORSSJ-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CCOc1ccccc1[C@H](C)N[C@H]1CCC[N@@H+](C)CC1 ZINC001254507257 806428281 /nfs/dbraw/zinc/42/82/81/806428281.db2.gz AFBLEWHWINYXHG-HOTGVXAUSA-N 1 1 288.435 3.386 20 30 CGEDMO CN1CCC[C@H]([NH+]2CCC(c3cccc(C#N)c3)CC2)CC1 ZINC001254522649 806439542 /nfs/dbraw/zinc/43/95/42/806439542.db2.gz IBNZJFVRXVCTEJ-IBGZPJMESA-N 1 1 297.446 3.222 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](C/C(C)=C\c2ccccc2)C1 ZINC001254645057 806470319 /nfs/dbraw/zinc/47/03/19/806470319.db2.gz FCAOGEZBANYHQU-MLRPBERTSA-N 1 1 257.377 3.367 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([NH+](Cc2cccnc2)Cc2cccnc2)C1 ZINC001254667748 806480210 /nfs/dbraw/zinc/48/02/10/806480210.db2.gz DETYEGLCRFYQEC-CRAIPNDOSA-N 1 1 292.386 3.171 20 30 CGEDMO CC(C)[N@H+](CC(=O)c1ccccc1)[C@H]1CC[C@@H](C#N)C1 ZINC001254667608 806480249 /nfs/dbraw/zinc/48/02/49/806480249.db2.gz BNEUTUCHPKWWKL-ZBFHGGJFSA-N 1 1 270.376 3.272 20 30 CGEDMO CC(C)[N@@H+](CC(=O)c1ccccc1)[C@H]1CC[C@@H](C#N)C1 ZINC001254667608 806480250 /nfs/dbraw/zinc/48/02/50/806480250.db2.gz BNEUTUCHPKWWKL-ZBFHGGJFSA-N 1 1 270.376 3.272 20 30 CGEDMO C=C[C@@H](C(=O)NCCC1=CC[N@@H+](CC)CC1)c1ccccc1 ZINC001161925059 806484213 /nfs/dbraw/zinc/48/42/13/806484213.db2.gz VNRGYLFQTWLKOP-GOSISDBHSA-N 1 1 298.430 3.115 20 30 CGEDMO C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)[C@H](C)CN1Cc1ccccc1 ZINC001254679326 806485114 /nfs/dbraw/zinc/48/51/14/806485114.db2.gz LHOJKZMQEVSADS-ZAWLATJESA-N 1 1 297.446 3.273 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1[C@@H]1CC[C@H](C#N)C1 ZINC001254679326 806485120 /nfs/dbraw/zinc/48/51/20/806485120.db2.gz LHOJKZMQEVSADS-ZAWLATJESA-N 1 1 297.446 3.273 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1[C@@H]1CC[C@H](C#N)C1 ZINC001254679326 806485124 /nfs/dbraw/zinc/48/51/24/806485124.db2.gz LHOJKZMQEVSADS-ZAWLATJESA-N 1 1 297.446 3.273 20 30 CGEDMO CC[C@H](CC#N)[NH2+][C@@H](C)c1cc(OC)cc(OC)c1 ZINC001255156302 806556532 /nfs/dbraw/zinc/55/65/32/806556532.db2.gz HRFFJGMGPLINSO-WCQYABFASA-N 1 1 262.353 3.047 20 30 CGEDMO CC[C@H](CC#N)[N@@H+]1CCC[C@H](Oc2cccc(OC)c2)C1 ZINC001255172934 806566914 /nfs/dbraw/zinc/56/69/14/806566914.db2.gz UDOWCJWTEFPHHV-PBHICJAKSA-N 1 1 288.391 3.231 20 30 CGEDMO CC[C@H](CC#N)[N@H+]1CCC[C@H](Oc2cccc(OC)c2)C1 ZINC001255172934 806566922 /nfs/dbraw/zinc/56/69/22/806566922.db2.gz UDOWCJWTEFPHHV-PBHICJAKSA-N 1 1 288.391 3.231 20 30 CGEDMO CC[C@H](CC#N)[N@H+](C[C@H](O)c1ccccc1OC)C(C)C ZINC001255173544 806567034 /nfs/dbraw/zinc/56/70/34/806567034.db2.gz BRIWSCQOTQFUFQ-ZBFHGGJFSA-N 1 1 290.407 3.131 20 30 CGEDMO CC[C@H](CC#N)[N@@H+](C[C@H](O)c1ccccc1OC)C(C)C ZINC001255173544 806567042 /nfs/dbraw/zinc/56/70/42/806567042.db2.gz BRIWSCQOTQFUFQ-ZBFHGGJFSA-N 1 1 290.407 3.131 20 30 CGEDMO CC[C@H](CC#N)[N@H+](Cc1cccc(OC)c1)[C@H](C)COC ZINC001255175596 806567963 /nfs/dbraw/zinc/56/79/63/806567963.db2.gz RTYWYISQZDZGHW-GDBMZVCRSA-N 1 1 290.407 3.224 20 30 CGEDMO CC[C@H](CC#N)[N@@H+](Cc1cccc(OC)c1)[C@H](C)COC ZINC001255175596 806567967 /nfs/dbraw/zinc/56/79/67/806567967.db2.gz RTYWYISQZDZGHW-GDBMZVCRSA-N 1 1 290.407 3.224 20 30 CGEDMO C#CCCCNc1ncc(C2=CC[N@@H+](CC)CC2)cc1C ZINC001162440055 806586053 /nfs/dbraw/zinc/58/60/53/806586053.db2.gz LPFWVATUASPXCD-UHFFFAOYSA-N 1 1 283.419 3.324 20 30 CGEDMO C=CCn1ccc2c1nc[nH+]c2N[C@@H]1CCCC[C@H]1F ZINC001162505140 806598343 /nfs/dbraw/zinc/59/83/43/806598343.db2.gz DAHLXPCMDXFXLB-CHWSQXEVSA-N 1 1 274.343 3.310 20 30 CGEDMO C=CC[N@H+]([C@H]1CCC[C@H](C(=O)OCC)C1)C(C)(C)C ZINC001255377912 806628771 /nfs/dbraw/zinc/62/87/71/806628771.db2.gz HZFJQDACOREUCH-KBPBESRZSA-N 1 1 267.413 3.395 20 30 CGEDMO C#CCCCC[NH2+][C@@H]1CCCN(Cc2ccccc2)CC1 ZINC001255389265 806632903 /nfs/dbraw/zinc/63/29/03/806632903.db2.gz DLYPEGGOEYDOII-LJQANCHMSA-N 1 1 284.447 3.434 20 30 CGEDMO C[C@@H]([NH2+]CC(C)(C)C#N)c1cccc(OC(F)F)c1 ZINC000122277088 798990911 /nfs/dbraw/zinc/99/09/11/798990911.db2.gz YZNSVEDPOXIWIG-SNVBAGLBSA-N 1 1 268.307 3.488 20 30 CGEDMO CCCCCCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158472563 799071015 /nfs/dbraw/zinc/07/10/15/799071015.db2.gz GXORRYAPTBYTDZ-HZPDHXFCSA-N 1 1 252.446 3.373 20 30 CGEDMO CCCCCCCN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158472563 799071022 /nfs/dbraw/zinc/07/10/22/799071022.db2.gz GXORRYAPTBYTDZ-HZPDHXFCSA-N 1 1 252.446 3.373 20 30 CGEDMO C[N@@H+](CCc1cccs1)Cc1cc(F)cc(C#N)c1 ZINC000163636257 799083799 /nfs/dbraw/zinc/08/37/99/799083799.db2.gz IQHUQKKGRDCMAF-UHFFFAOYSA-N 1 1 274.364 3.433 20 30 CGEDMO C[N@H+]1CCCC[C@H]1CCC(=O)Nc1cnn(C(F)F)c1 ZINC000329446649 799254205 /nfs/dbraw/zinc/25/42/05/799254205.db2.gz NXOVZZNOZHAYJA-NSHDSACASA-N 1 1 286.326 3.131 20 30 CGEDMO Cc1ccc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)cc1O ZINC001211690928 814933157 /nfs/dbraw/zinc/93/31/57/814933157.db2.gz STYAFUMMLLHJIL-UHFFFAOYSA-N 1 1 299.399 3.365 20 30 CGEDMO Cc1[nH+]c(N[C@@H](c2cccc(N)n2)C(C)C)ccc1CC#N ZINC001163346490 806742946 /nfs/dbraw/zinc/74/29/46/806742946.db2.gz HCGPJPXHWKFRDH-QGZVFWFLSA-N 1 1 295.390 3.243 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](Nc2ccc(Cl)c(C#N)n2)[C@H](C)C1 ZINC001163365425 806749307 /nfs/dbraw/zinc/74/93/07/806749307.db2.gz ZWZGLSSBHGSMIE-YPMHNXCESA-N 1 1 292.814 3.137 20 30 CGEDMO Cc1c(C[NH2+]CC2(C#N)CCCC2)cccc1[N+](=O)[O-] ZINC000405179707 799583016 /nfs/dbraw/zinc/58/30/16/799583016.db2.gz WHAOCHYAGAWUBR-UHFFFAOYSA-N 1 1 273.336 3.077 20 30 CGEDMO C=CCCCC[N@@H+](C)[C@@H](C)CS(=O)(=O)c1ccccc1 ZINC001255827194 806759394 /nfs/dbraw/zinc/75/93/94/806759394.db2.gz QTULUEQGRKAMCU-HNNXBMFYSA-N 1 1 295.448 3.137 20 30 CGEDMO C=CCCCC[N@H+](C)[C@@H](C)CS(=O)(=O)c1ccccc1 ZINC001255827194 806759400 /nfs/dbraw/zinc/75/94/00/806759400.db2.gz QTULUEQGRKAMCU-HNNXBMFYSA-N 1 1 295.448 3.137 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000693111109 799808004 /nfs/dbraw/zinc/80/80/04/799808004.db2.gz ZHHSWYVPOYKGLK-QDMKHBRRSA-N 1 1 276.330 3.281 20 30 CGEDMO Cc1cc(N2CCC[C@H](C#N)C2)c2ccccc2[nH+]1 ZINC000693960641 799818343 /nfs/dbraw/zinc/81/83/43/799818343.db2.gz COICXRRLFSWUGS-CYBMUJFWSA-N 1 1 251.333 3.283 20 30 CGEDMO CCCCCCCN1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000697746293 799849039 /nfs/dbraw/zinc/84/90/39/799849039.db2.gz DQYCVPPUGATPII-STQMWFEESA-N 1 1 280.378 3.416 20 30 CGEDMO CCC[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC000708408167 799989293 /nfs/dbraw/zinc/98/92/93/799989293.db2.gz COPKCHUTWALWTQ-PBHICJAKSA-N 1 1 272.392 3.104 20 30 CGEDMO CC1(C)C[C@@H](C[N@H+](CC#N)C2CCCC2)C(C)(C)O1 ZINC000711278685 800051191 /nfs/dbraw/zinc/05/11/91/800051191.db2.gz JJRWSORAJVTQLB-ZDUSSCGKSA-N 1 1 264.413 3.348 20 30 CGEDMO CC1(C)C[C@@H](C[N@@H+](CC#N)C2CCCC2)C(C)(C)O1 ZINC000711278685 800051196 /nfs/dbraw/zinc/05/11/96/800051196.db2.gz JJRWSORAJVTQLB-ZDUSSCGKSA-N 1 1 264.413 3.348 20 30 CGEDMO C#CCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000714970249 800129776 /nfs/dbraw/zinc/12/97/76/800129776.db2.gz WOKWWJZDJRKCII-UXHICEINSA-N 1 1 296.458 3.386 20 30 CGEDMO C#CCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000714970249 800129780 /nfs/dbraw/zinc/12/97/80/800129780.db2.gz WOKWWJZDJRKCII-UXHICEINSA-N 1 1 296.458 3.386 20 30 CGEDMO C#CCCCN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000714970249 800129783 /nfs/dbraw/zinc/12/97/83/800129783.db2.gz WOKWWJZDJRKCII-UXHICEINSA-N 1 1 296.458 3.386 20 30 CGEDMO C#CCCCN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000714970249 800129790 /nfs/dbraw/zinc/12/97/90/800129790.db2.gz WOKWWJZDJRKCII-UXHICEINSA-N 1 1 296.458 3.386 20 30 CGEDMO C#CCOc1ccccc1C[NH2+][C@@H](C)c1ccns1 ZINC000716046324 800162193 /nfs/dbraw/zinc/16/21/93/800162193.db2.gz GQEKNSSLBNRHBI-LBPRGKRZSA-N 1 1 272.373 3.006 20 30 CGEDMO C=CCC1(O)CC[NH+](Cc2cc(F)ccc2Cl)CC1 ZINC000717452551 800202326 /nfs/dbraw/zinc/20/23/26/800202326.db2.gz WJBRHEJWVYBLNQ-UHFFFAOYSA-N 1 1 283.774 3.382 20 30 CGEDMO CCCCCCCCCC[N@H+]1CC[C@@]2(C1)CNCCO2 ZINC000717569276 800204918 /nfs/dbraw/zinc/20/49/18/800204918.db2.gz QUIHVRJHWNUKLI-KRWDZBQOSA-N 1 1 282.472 3.191 20 30 CGEDMO C#CCC[C@H](O)CNc1cc[nH+]c2cc(Cl)ccc12 ZINC000717952479 800208359 /nfs/dbraw/zinc/20/83/59/800208359.db2.gz GOCDOHQLUWUYFF-LBPRGKRZSA-N 1 1 274.751 3.074 20 30 CGEDMO CC[N@@H+](CCC#N)C[C@@H](C)COCc1ccccc1 ZINC000719592582 800244462 /nfs/dbraw/zinc/24/44/62/800244462.db2.gz PIJKYZUWBGSMPD-OAHLLOKOSA-N 1 1 260.381 3.075 20 30 CGEDMO C[C@@H](COCc1ccccc1)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000719610306 800245926 /nfs/dbraw/zinc/24/59/26/800245926.db2.gz LSACMDARUDWTGG-SJORKVTESA-N 1 1 286.419 3.465 20 30 CGEDMO C#Cc1ccc(CNC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000809423911 800437613 /nfs/dbraw/zinc/43/76/13/800437613.db2.gz AWUKKXYNYHPOIB-UHFFFAOYSA-N 1 1 270.420 3.067 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000809547454 800445513 /nfs/dbraw/zinc/44/55/13/800445513.db2.gz NPLDFNLVAFMHLN-LJQANCHMSA-N 1 1 295.357 3.381 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000809547454 800445517 /nfs/dbraw/zinc/44/55/17/800445517.db2.gz NPLDFNLVAFMHLN-LJQANCHMSA-N 1 1 295.357 3.381 20 30 CGEDMO C[C@@H]([NH2+]Cc1nccc2c1CCCC2)c1cc(C#N)ccn1 ZINC000903181555 800594977 /nfs/dbraw/zinc/59/49/77/800594977.db2.gz KQOUYDYAGVPFQS-CYBMUJFWSA-N 1 1 292.386 3.078 20 30 CGEDMO COC(=O)[C@@H]1CC[N@@H+](CCC2(C#N)CCCCC2)[C@H](C)C1 ZINC000933167999 800673569 /nfs/dbraw/zinc/67/35/69/800673569.db2.gz QRHDSOFJDQSRSL-HUUCEWRRSA-N 1 1 292.423 3.124 20 30 CGEDMO C=CC[C@@H]1CCN1Cc1cncc(C[N@@H+]2CC[C@@H]2CC=C)c1 ZINC000934459270 800678471 /nfs/dbraw/zinc/67/84/71/800678471.db2.gz HPCCJCLRHLGPPJ-KDURUIRLSA-N 1 1 297.446 3.382 20 30 CGEDMO C=CC[C@@H]1CCN1Cc1cncc(C[N@H+]2CC[C@@H]2CC=C)c1 ZINC000934459270 800678477 /nfs/dbraw/zinc/67/84/77/800678477.db2.gz HPCCJCLRHLGPPJ-KDURUIRLSA-N 1 1 297.446 3.382 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1cncc(CN2CC[C@@H]2CC=C)c1 ZINC000934459270 800678480 /nfs/dbraw/zinc/67/84/80/800678480.db2.gz HPCCJCLRHLGPPJ-KDURUIRLSA-N 1 1 297.446 3.382 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1cncc(CN2CC[C@@H]2CC=C)c1 ZINC000934459270 800678486 /nfs/dbraw/zinc/67/84/86/800678486.db2.gz HPCCJCLRHLGPPJ-KDURUIRLSA-N 1 1 297.446 3.382 20 30 CGEDMO N#Cc1ccccc1C[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000934688182 800680444 /nfs/dbraw/zinc/68/04/44/800680444.db2.gz UAKRGXNAPHYNNT-QGZVFWFLSA-N 1 1 263.344 3.194 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)c2ccc(CC)cc2)CC1 ZINC001001422664 800697042 /nfs/dbraw/zinc/69/70/42/800697042.db2.gz FRMQCTHTXXKGTJ-UHFFFAOYSA-N 1 1 298.430 3.187 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001023580687 800713492 /nfs/dbraw/zinc/71/34/92/800713492.db2.gz RZFZMBYHKGSDCV-BRWVUGGUSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC001024380290 800725757 /nfs/dbraw/zinc/72/57/57/800725757.db2.gz JJYMYUOGUARGCN-CQSZACIVSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(Cl)o1 ZINC001024332756 800726636 /nfs/dbraw/zinc/72/66/36/800726636.db2.gz GLJCWTVRANWFBD-GFCCVEGCSA-N 1 1 296.798 3.093 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C=C)cc1 ZINC001024670462 800735416 /nfs/dbraw/zinc/73/54/16/800735416.db2.gz QYZRQJRIPHYXFB-SFHVURJKSA-N 1 1 298.430 3.490 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)C1CCC=CCC1 ZINC001024804856 800737711 /nfs/dbraw/zinc/73/77/11/800737711.db2.gz JHGOKGCLZYVPQT-KRWDZBQOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccoc1C(C)C ZINC001024820004 800737926 /nfs/dbraw/zinc/73/79/26/800737926.db2.gz VQDPNORMLJGYRM-AWEZNQCLSA-N 1 1 290.407 3.173 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1CC1 ZINC001025183306 800745364 /nfs/dbraw/zinc/74/53/64/800745364.db2.gz JSDCRXSFOCNQHI-IRXDYDNUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C=C(C)C ZINC001025196437 800747855 /nfs/dbraw/zinc/74/78/55/800747855.db2.gz VEOFFUCOAKNFKA-SJORKVTESA-N 1 1 290.451 3.374 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cc(C)cs2)C1 ZINC001025410415 800760498 /nfs/dbraw/zinc/76/04/98/800760498.db2.gz AKDDWADUAVUUSX-ZIAGYGMSSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)C2CCCCC2)C1 ZINC001027274662 800787864 /nfs/dbraw/zinc/78/78/64/800787864.db2.gz CBTQEIQFGJTTJH-HNNXBMFYSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)C2CCCCC2)C1 ZINC001027274662 800787865 /nfs/dbraw/zinc/78/78/65/800787865.db2.gz CBTQEIQFGJTTJH-HNNXBMFYSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)CC2CCCC2)C1 ZINC001027279185 800787874 /nfs/dbraw/zinc/78/78/74/800787874.db2.gz RAVTZMZXIUWWEU-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)c2ccsc2)C1 ZINC001027288424 800789790 /nfs/dbraw/zinc/78/97/90/800789790.db2.gz DIGBROBQYQFDOP-ZDUSSCGKSA-N 1 1 298.839 3.037 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)c2ccsc2)C1 ZINC001027288424 800789791 /nfs/dbraw/zinc/78/97/91/800789791.db2.gz DIGBROBQYQFDOP-ZDUSSCGKSA-N 1 1 298.839 3.037 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)CCC2CCC2)C1 ZINC001027355309 800791134 /nfs/dbraw/zinc/79/11/34/800791134.db2.gz SSXPMKNJHYPAOX-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)C(C)C)C1 ZINC001027425215 800796261 /nfs/dbraw/zinc/79/62/61/800796261.db2.gz HAXXTWIUBBCSIV-CYBMUJFWSA-N 1 1 286.847 3.096 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)C2CCCCCCC2)C1 ZINC001027487188 800797687 /nfs/dbraw/zinc/79/76/87/800797687.db2.gz YLTQJOGUPIGQBD-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)C(C)(C)C(=C)C)C1 ZINC001027518750 800799631 /nfs/dbraw/zinc/79/96/31/800799631.db2.gz ZZTIPNGSDNTDDK-AWEZNQCLSA-N 1 1 298.858 3.264 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)C(=C)C)C1 ZINC001027518750 800799636 /nfs/dbraw/zinc/79/96/36/800799636.db2.gz ZZTIPNGSDNTDDK-AWEZNQCLSA-N 1 1 298.858 3.264 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@]2(C)C=CCC2)C1 ZINC001027531997 800802432 /nfs/dbraw/zinc/80/24/32/800802432.db2.gz UETBVFSBBGOYPT-ZBFHGGJFSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@]2(C)C=CCC2)C1 ZINC001027531997 800802439 /nfs/dbraw/zinc/80/24/39/800802439.db2.gz UETBVFSBBGOYPT-ZBFHGGJFSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)C2(C)CCCCC2)C1 ZINC001027555597 800802807 /nfs/dbraw/zinc/80/28/07/800802807.db2.gz PCNFKJHZASLOIO-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)s1 ZINC001027726138 800817548 /nfs/dbraw/zinc/81/75/48/800817548.db2.gz OMCFYJJXLMLWGT-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1C(C)C ZINC001027917411 800825207 /nfs/dbraw/zinc/82/52/07/800825207.db2.gz ALTMKIZMRAWNTN-OAHLLOKOSA-N 1 1 286.419 3.190 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)CCC=C2 ZINC001028268748 800837131 /nfs/dbraw/zinc/83/71/31/800837131.db2.gz ZLRHEWDHXXAOBE-SFHVURJKSA-N 1 1 296.414 3.026 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)C1CCC=CCC1 ZINC001028322330 800839801 /nfs/dbraw/zinc/83/98/01/800839801.db2.gz BARISQSKYIRLBP-QGZVFWFLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C)ccc1C ZINC001028285358 800839818 /nfs/dbraw/zinc/83/98/18/800839818.db2.gz WPIHAYZXJVZISY-MRXNPFEDSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H]1CNC(=O)c1coc2ccccc12 ZINC001028349085 800844935 /nfs/dbraw/zinc/84/49/35/800844935.db2.gz HJPHBHOFDDKCRR-AWEZNQCLSA-N 1 1 298.386 3.203 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)C2C(C)(C)C2(C)C)C1 ZINC001028467130 800849001 /nfs/dbraw/zinc/84/90/01/800849001.db2.gz XNIWPLUYDHPNFN-AWEZNQCLSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H]2CC[N@H+](C[C@@H](C)CC)C2)CC1 ZINC001028779133 800851438 /nfs/dbraw/zinc/85/14/38/800851438.db2.gz VLIZYPJGWQWRQM-HOCLYGCPSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001028813160 800855064 /nfs/dbraw/zinc/85/50/64/800855064.db2.gz WSMBGLKFJURLKN-BRWVUGGUSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CNC(=O)c2cc3ccccc3o2)C1 ZINC001028972293 800855359 /nfs/dbraw/zinc/85/53/59/800855359.db2.gz IAHZRSUZSPHZHP-CQSZACIVSA-N 1 1 298.386 3.061 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](CNC(=O)c2cccc(C(C)C)c2)C1 ZINC001028912898 800857075 /nfs/dbraw/zinc/85/70/75/800857075.db2.gz NUDRSJQGVMFHBK-OAHLLOKOSA-N 1 1 286.419 3.048 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H](C[N@@H+](C)CC2CCC2)C1 ZINC001029800106 800876147 /nfs/dbraw/zinc/87/61/47/800876147.db2.gz KIXVJKDWPXJTER-MRXNPFEDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)c2coc3c2cccc3C)C1 ZINC001030448590 800891779 /nfs/dbraw/zinc/89/17/79/800891779.db2.gz SZCMHYGRBMEIID-UHFFFAOYSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)c2ccccc2C2(C)CC2)C1 ZINC001030944949 800901787 /nfs/dbraw/zinc/90/17/87/800901787.db2.gz CDZVUNNXCCVLAZ-UHFFFAOYSA-N 1 1 298.430 3.118 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)c2cccc3ccccc32)C1 ZINC001031341100 800909141 /nfs/dbraw/zinc/90/91/41/800909141.db2.gz CPZDJBJGRZEAEN-UHFFFAOYSA-N 1 1 294.398 3.220 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)CC1CCCC1 ZINC001032661231 800931762 /nfs/dbraw/zinc/93/17/62/800931762.db2.gz RABWKZKHBDKBQO-PVAVHDDUSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCCC(C)(C)C1 ZINC001032733498 800934020 /nfs/dbraw/zinc/93/40/20/800934020.db2.gz XCWSXUJTSJYSOT-PMPSAXMXSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCCC(C)(C)C1 ZINC001032733498 800934026 /nfs/dbraw/zinc/93/40/26/800934026.db2.gz XCWSXUJTSJYSOT-PMPSAXMXSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[C@H](C)CC1 ZINC001032743086 800934744 /nfs/dbraw/zinc/93/47/44/800934744.db2.gz CXMYSPZUYWCIOV-QAETUUGQSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cscc2Cl)C1 ZINC001033170837 800954723 /nfs/dbraw/zinc/95/47/23/800954723.db2.gz ZCRGTFSXZMZDBC-LLVKDONJSA-N 1 1 298.839 3.124 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)C2CCCC2)C1 ZINC001033573840 800968535 /nfs/dbraw/zinc/96/85/35/800968535.db2.gz KEHNZQBNGOZSJJ-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)C2(C)CCC(C)CC2)C1 ZINC001033698095 800975144 /nfs/dbraw/zinc/97/51/44/800975144.db2.gz MCHLKULXYAGZFW-UPTPFMHGSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@]2(C)CCC(C)=C(C)C2)C1 ZINC001033698492 800975300 /nfs/dbraw/zinc/97/53/00/800975300.db2.gz SLQRCYYSFHDKFS-AEFFLSMTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2c(C)coc2C)C1 ZINC001033818058 800984478 /nfs/dbraw/zinc/98/44/78/800984478.db2.gz ZQHLVCFAFKAQSJ-OAHLLOKOSA-N 1 1 290.407 3.009 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)C2CC3(CCC3)C2)C1 ZINC001033921535 800987632 /nfs/dbraw/zinc/98/76/32/800987632.db2.gz CAYOAUXWODVIGJ-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C=C)cc2)C1 ZINC001033961741 800990714 /nfs/dbraw/zinc/99/07/14/800990714.db2.gz NMFGBGSZZOXFFS-QGZVFWFLSA-N 1 1 284.403 3.052 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(C=C)cc2)C1 ZINC001033961739 800990797 /nfs/dbraw/zinc/99/07/97/800990797.db2.gz NMFGBGSZZOXFFS-KRWDZBQOSA-N 1 1 284.403 3.052 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001033960735 800991460 /nfs/dbraw/zinc/99/14/60/800991460.db2.gz HCHVWCNFGLHIKW-IXDOHACOSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc(C)c2C)C1 ZINC001034034745 800995288 /nfs/dbraw/zinc/99/52/88/800995288.db2.gz NJHKQFHXMSMDBP-MRXNPFEDSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)c2ccsc2)C1 ZINC001034101562 801005491 /nfs/dbraw/zinc/00/54/91/801005491.db2.gz UVCNBCAPXBNYNH-HNNXBMFYSA-N 1 1 292.448 3.299 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@@H](C)C2CCC2)C1 ZINC001034266326 801014906 /nfs/dbraw/zinc/01/49/06/801014906.db2.gz NXURBENQTZZMGF-ZFWWWQNUSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H](C)C2CCC2)C1 ZINC001034266326 801014909 /nfs/dbraw/zinc/01/49/09/801014909.db2.gz NXURBENQTZZMGF-ZFWWWQNUSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001034265733 801014935 /nfs/dbraw/zinc/01/49/35/801014935.db2.gz LSORBXNCLOYBAP-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2cc(C)sc2C)C1 ZINC001034302535 801015931 /nfs/dbraw/zinc/01/59/31/801015931.db2.gz RLLXVDAXBOZGKG-CQSZACIVSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C)cc2)C1 ZINC001034502759 801030170 /nfs/dbraw/zinc/03/01/70/801030170.db2.gz JBKJSMQIISAQLX-KRWDZBQOSA-N 1 1 286.419 3.155 20 30 CGEDMO C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)CC1CC1)CC2 ZINC001035150751 801051605 /nfs/dbraw/zinc/05/16/05/801051605.db2.gz GDYRTISZDGORLV-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)C=C(C)C)CC2 ZINC001035149705 801051862 /nfs/dbraw/zinc/05/18/62/801051862.db2.gz HRBZWAZHFOHETK-UHFFFAOYSA-N 1 1 296.842 3.020 20 30 CGEDMO C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)C(CC)CC)CC2 ZINC001035163108 801053578 /nfs/dbraw/zinc/05/35/78/801053578.db2.gz OXCCVZGQXFJSLN-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)C(C)(C)C)CC[C@H]21 ZINC001036790610 801090200 /nfs/dbraw/zinc/09/02/00/801090200.db2.gz LPCBDDWIJFGDLU-LSDHHAIUSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)C3(C)CCCC3)CC[C@@H]21 ZINC001036782288 801090520 /nfs/dbraw/zinc/09/05/20/801090520.db2.gz HQVSOWQIOKUGAF-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C3(CC)CC3)CC[C@@H]21 ZINC001036814932 801091977 /nfs/dbraw/zinc/09/19/77/801091977.db2.gz WNYPYCLBXYDTNA-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001038246561 801123056 /nfs/dbraw/zinc/12/30/56/801123056.db2.gz NHAGKGROZIIIBZ-CVEARBPZSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1CCC ZINC001038500043 801127278 /nfs/dbraw/zinc/12/72/78/801127278.db2.gz COFVIKJYRWRYQD-MRXNPFEDSA-N 1 1 286.419 3.019 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)cccc1Cl ZINC001038674649 801130936 /nfs/dbraw/zinc/13/09/36/801130936.db2.gz RVUOPUFLZGJNQM-ZDUSSCGKSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)C=CCC2 ZINC001038803030 801134098 /nfs/dbraw/zinc/13/40/98/801134098.db2.gz VUBCCJIPZCHGFG-GOSISDBHSA-N 1 1 296.414 3.026 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)CCC=C2 ZINC001038933746 801135739 /nfs/dbraw/zinc/13/57/39/801135739.db2.gz GIDURYNAVXEQMT-GOSISDBHSA-N 1 1 296.414 3.026 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1C1CCC1 ZINC001038968695 801138317 /nfs/dbraw/zinc/13/83/17/801138317.db2.gz SYKGBVMRODVVKY-MRXNPFEDSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC001038983449 801139644 /nfs/dbraw/zinc/13/96/44/801139644.db2.gz SVBRCNSLRJWXEJ-KRWDZBQOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC001038983454 801140944 /nfs/dbraw/zinc/14/09/44/801140944.db2.gz SVBRCNSLRJWXEJ-QGZVFWFLSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C2=CCCC2)cc1 ZINC001039105956 801148108 /nfs/dbraw/zinc/14/81/08/801148108.db2.gz GFOSBTGLPBSPTC-GOSISDBHSA-N 1 1 296.414 3.244 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C2=CCCC2)cc1 ZINC001039105956 801148114 /nfs/dbraw/zinc/14/81/14/801148114.db2.gz GFOSBTGLPBSPTC-GOSISDBHSA-N 1 1 296.414 3.244 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)/C(C)=C/C)CC2)C1 ZINC001039120813 801148897 /nfs/dbraw/zinc/14/88/97/801148897.db2.gz BXUCCMAONYEJOZ-GYKBNXPHSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CC(C)C)CC2)C1 ZINC001039110107 801149282 /nfs/dbraw/zinc/14/92/82/801149282.db2.gz XHNPFVHGYGFRIH-QGZVFWFLSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C2CCC2)C1 ZINC001039177412 801150647 /nfs/dbraw/zinc/15/06/47/801150647.db2.gz DJCDXHXYZYNVLV-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(CC)CC ZINC001039335683 801159344 /nfs/dbraw/zinc/15/93/44/801159344.db2.gz JHYRUUUUKJORSQ-CVEARBPZSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C(C)C ZINC001039896046 801168355 /nfs/dbraw/zinc/16/83/55/801168355.db2.gz CDQPCTPOAALJQE-HLLBOEOZSA-N 1 1 278.440 3.062 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C)C(C)(C)C)C2)C1 ZINC001041407397 801189348 /nfs/dbraw/zinc/18/93/48/801189348.db2.gz HDWLRRZTRZFCAQ-QAPCUYQASA-N 1 1 292.467 3.169 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@@]2(CC[N@@H+](CC(=C)C)C2)C1 ZINC001041632208 801190888 /nfs/dbraw/zinc/19/08/88/801190888.db2.gz FVDBDIGDLJIXNP-ZWKOTPCHSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(C)c3)C[C@H]21 ZINC001041912070 801196778 /nfs/dbraw/zinc/19/67/78/801196778.db2.gz FJDQUUSPGWEQPS-SJLPKXTDSA-N 1 1 298.430 3.108 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)C2CCCCCC2)C1 ZINC001046184110 801302183 /nfs/dbraw/zinc/30/21/83/801302183.db2.gz YDWHHVWLNYZMGQ-QGZVFWFLSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)c2cccc(C)c2Cl)C1 ZINC001046708710 801321490 /nfs/dbraw/zinc/32/14/90/801321490.db2.gz FOSOEIWXJCEKPR-INIZCTEOSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2sccc2CC)C1 ZINC001046853496 801327203 /nfs/dbraw/zinc/32/72/03/801327203.db2.gz YZQNZZBDLAEQHV-INIZCTEOSA-N 1 1 292.448 3.081 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(C)c1 ZINC001049313359 801365111 /nfs/dbraw/zinc/36/51/11/801365111.db2.gz RQNIYWRCLNGOGW-MSOLQXFVSA-N 1 1 298.430 3.250 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1=CCCCCC1 ZINC001049446642 801374389 /nfs/dbraw/zinc/37/43/89/801374389.db2.gz YAWDXHSGCOVNBH-IRXDYDNUSA-N 1 1 288.435 3.128 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCCC1(C)C ZINC001049659923 801382742 /nfs/dbraw/zinc/38/27/42/801382742.db2.gz VBHWICKJLRZBKM-OWCLPIDISA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1(CC)CCCC1 ZINC001049814817 801388474 /nfs/dbraw/zinc/38/84/74/801388474.db2.gz BCMKGUIHVHGNGD-CVEARBPZSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)C2CCCCC2)CC1 ZINC001052164807 801422732 /nfs/dbraw/zinc/42/27/32/801422732.db2.gz BBNWPBXFRSKUMG-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2ccoc2C)CC1 ZINC001052186422 801424926 /nfs/dbraw/zinc/42/49/26/801424926.db2.gz IEHVLEQNPFPQOE-OAHLLOKOSA-N 1 1 290.407 3.139 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cl)o2)CC1 ZINC001052208433 801426246 /nfs/dbraw/zinc/42/62/46/801426246.db2.gz JHUNFZONMUJIND-LBPRGKRZSA-N 1 1 296.798 3.093 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccoc2Cl)CC1 ZINC001052342221 801430526 /nfs/dbraw/zinc/43/05/26/801430526.db2.gz REVKACAEVWXENW-GFCCVEGCSA-N 1 1 296.798 3.093 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C2(F)CCCC2)CC1 ZINC001052509935 801435912 /nfs/dbraw/zinc/43/59/12/801435912.db2.gz SEGFTWXXPLBTPX-OAHLLOKOSA-N 1 1 296.430 3.206 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC)s2)CC1 ZINC001052534772 801439226 /nfs/dbraw/zinc/43/92/26/801439226.db2.gz NOHAAGNLTBQWQY-CYBMUJFWSA-N 1 1 292.448 3.081 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](C[C@H](F)CC)CC2)C1 ZINC001052693686 801448245 /nfs/dbraw/zinc/44/82/45/801448245.db2.gz XFMDZQYQFRSOJS-HUUCEWRRSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)CC1 ZINC001052726651 801449396 /nfs/dbraw/zinc/44/93/96/801449396.db2.gz SGMYDTKOIQLVEN-BRWVUGGUSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cc(Cl)cs2)CC1 ZINC001052762915 801450885 /nfs/dbraw/zinc/45/08/85/801450885.db2.gz BMHJBVKFEIQKOV-LBPRGKRZSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)CC1 ZINC001052882065 801453975 /nfs/dbraw/zinc/45/39/75/801453975.db2.gz AIBNPQQUVDETOF-ULQDDVLXSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC(C)C)C2)C1 ZINC001053005589 801462478 /nfs/dbraw/zinc/46/24/78/801462478.db2.gz PGXSQCIJAQREHK-DLBZAZTESA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C2CC2)C1 ZINC001053057162 801463459 /nfs/dbraw/zinc/46/34/59/801463459.db2.gz HVFGHXVTYYPYRC-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccccc1C)C2 ZINC001054076509 801472488 /nfs/dbraw/zinc/47/24/88/801472488.db2.gz DGMGFVQICMYGBD-LJQANCHMSA-N 1 1 298.430 3.109 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)C=C)C2 ZINC001054175772 801477804 /nfs/dbraw/zinc/47/78/04/801477804.db2.gz VDZTVBADNPSBRO-GOSISDBHSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C(C)=C2CCCC2)CC[C@H]1C ZINC001071419847 801535227 /nfs/dbraw/zinc/53/52/27/801535227.db2.gz FQFJJBQDUKOITP-PBHICJAKSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2cc(C)c(C)o2)CC[C@@H]1C ZINC001071431719 801536022 /nfs/dbraw/zinc/53/60/22/801536022.db2.gz UXZKIPACUZTMSJ-DZGCQCFKSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C2(C)CCCC2)CC[C@@H]1C ZINC001071716280 801547094 /nfs/dbraw/zinc/54/70/94/801547094.db2.gz RZDQOJBFGHDQCU-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)c2ccccc2CC)CC[C@@H]1C ZINC001071768740 801549225 /nfs/dbraw/zinc/54/92/25/801549225.db2.gz BLYWPRWDQJAZNY-GOEBONIOSA-N 1 1 286.419 3.018 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[C@@H](C)[N@H+](CC=C(C)C)C2)C1 ZINC001071804161 801553820 /nfs/dbraw/zinc/55/38/20/801553820.db2.gz XQZHKEXNUCJCFG-HZPDHXFCSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](C/C=C/Cl)C2)C1 ZINC001071802833 801554676 /nfs/dbraw/zinc/55/46/76/801554676.db2.gz CGXUEIPXJLAYTG-QFVHEQCKSA-N 1 1 296.842 3.064 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[C@H](C)[N@H+](C/C=C/Cl)C2)C1 ZINC001071802833 801554682 /nfs/dbraw/zinc/55/46/82/801554682.db2.gz CGXUEIPXJLAYTG-QFVHEQCKSA-N 1 1 296.842 3.064 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C(C)C)CC2)CC1 ZINC001075444657 801603730 /nfs/dbraw/zinc/60/37/30/801603730.db2.gz HKAZWZDXCVXGGH-MRXNPFEDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C)cc3C)[C@@H]2C1 ZINC001076523993 801618570 /nfs/dbraw/zinc/61/85/70/801618570.db2.gz TZGVJQUBZDZCDE-FUHWJXTLSA-N 1 1 298.430 3.026 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001079729602 801647929 /nfs/dbraw/zinc/64/79/29/801647929.db2.gz QIAOUYADDDNKBA-QKPAOTATSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccsc2Cl)C1 ZINC001080561197 801654193 /nfs/dbraw/zinc/65/41/93/801654193.db2.gz BSYDRIOZUDMNSH-ZYHUDNBSSA-N 1 1 298.839 3.028 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[N@@H+](CCC(=C)C)C[C@H]21 ZINC001084634974 801670116 /nfs/dbraw/zinc/67/01/16/801670116.db2.gz LXZDKMHUUOSYPC-NUJGCVRESA-N 1 1 290.451 3.088 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[N@@H+](CC(C)C)[C@H]2C1 ZINC001085023587 801674030 /nfs/dbraw/zinc/67/40/30/801674030.db2.gz LJPXVFXEKGCHJB-RYRKJORJSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](C[C@H](C)CC)[C@H]2C1 ZINC001085004709 801675219 /nfs/dbraw/zinc/67/52/19/801675219.db2.gz CXAINKOJRJESTJ-OAGGEKHMSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cscc1Cl ZINC001085658628 801698203 /nfs/dbraw/zinc/69/82/03/801698203.db2.gz WZEUDPZFBPIVCB-LLVKDONJSA-N 1 1 298.839 3.124 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC=CCCC1 ZINC001085669454 801698246 /nfs/dbraw/zinc/69/82/46/801698246.db2.gz ZOVORHLERGKFQL-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1sc(C)cc1C ZINC001085618511 801698374 /nfs/dbraw/zinc/69/83/74/801698374.db2.gz OPGVAJPIMWJNHU-CQSZACIVSA-N 1 1 292.448 3.087 20 30 CGEDMO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2CC2CCC2)CC1 ZINC001085800816 801706220 /nfs/dbraw/zinc/70/62/20/801706220.db2.gz CJFVONIDUWKKMI-KRWDZBQOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+]2CCC(=C)C)cc1 ZINC001085835891 801707174 /nfs/dbraw/zinc/70/71/74/801707174.db2.gz WGDXRHLASXEEDM-SFHVURJKSA-N 1 1 298.430 3.442 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C=C)cc1 ZINC001085833880 801707657 /nfs/dbraw/zinc/70/76/57/801707657.db2.gz WAKLMCODHDYJMZ-KRWDZBQOSA-N 1 1 284.403 3.052 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(C2CC2)c1 ZINC001085991460 801716981 /nfs/dbraw/zinc/71/69/81/801716981.db2.gz OAOVXINJSNAIMB-GOSISDBHSA-N 1 1 298.430 3.286 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1coc2ccccc12 ZINC001086000299 801719393 /nfs/dbraw/zinc/71/93/93/801719393.db2.gz GMSFLXXWFAVINL-CQSZACIVSA-N 1 1 298.386 3.155 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2C=CCC2)[C@H]1CC ZINC001087496521 801752555 /nfs/dbraw/zinc/75/25/55/801752555.db2.gz CFSVONQXHHFRFD-QLFBSQMISA-N 1 1 296.842 3.064 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2C=CCC2)[C@H]1CC ZINC001087496521 801752559 /nfs/dbraw/zinc/75/25/59/801752559.db2.gz CFSVONQXHHFRFD-QLFBSQMISA-N 1 1 296.842 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC3(CC3)C2)[C@H]1CC ZINC001087569423 801757538 /nfs/dbraw/zinc/75/75/38/801757538.db2.gz VJXGITXJFHWNEQ-HRCADAONSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(C)=C(C)C2)[C@H]1CC ZINC001087584056 801757849 /nfs/dbraw/zinc/75/78/49/801757849.db2.gz LLCWWKADUQKALJ-YESZJQIVSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CCC(C)C)[C@@H]2CC)C1 ZINC001087714547 801764878 /nfs/dbraw/zinc/76/48/78/801764878.db2.gz SQWXOMOVIBWYJS-JKSUJKDBSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2ccsc2)[C@H]1CC ZINC001087721790 801766782 /nfs/dbraw/zinc/76/67/82/801766782.db2.gz FTPWLMGZVCURAJ-AEGPPILISA-N 1 1 292.448 3.007 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC23CCCC3)[C@H]1CC ZINC001087785335 801768550 /nfs/dbraw/zinc/76/85/50/801768550.db2.gz CIDBQIRPLVYSNO-OWCLPIDISA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC2=CCCCC2)[C@H]1C ZINC001088495438 801796883 /nfs/dbraw/zinc/79/68/83/801796883.db2.gz UAXVNJCWDJOZDT-ZBFHGGJFSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC2(C)C)CC(C)(C)C1 ZINC001089364285 801835901 /nfs/dbraw/zinc/83/59/01/801835901.db2.gz XYNVTWIXHGVYBS-HUUCEWRRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H]2C)CC(C)(C)C1 ZINC001089466293 801839867 /nfs/dbraw/zinc/83/98/67/801839867.db2.gz CMCNAEDNQDNZTB-UBHSHLNASA-N 1 1 298.858 3.002 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCC(C)(C)C1)C2 ZINC001098476696 801910514 /nfs/dbraw/zinc/91/05/14/801910514.db2.gz OZRWCYXHBHTKDG-FPCVCCKLSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)CC ZINC001098916772 801921047 /nfs/dbraw/zinc/92/10/47/801921047.db2.gz UFJMXVHPSXCUMG-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CC1 ZINC001099171738 801930729 /nfs/dbraw/zinc/93/07/29/801930729.db2.gz RLACUDGVJUODTD-OAHLLOKOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1(CCC)CC1 ZINC001099230224 801934125 /nfs/dbraw/zinc/93/41/25/801934125.db2.gz QYWGONYBSUFGFB-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C)CCCC)C[C@]2(C)C1 ZINC001101221548 801976237 /nfs/dbraw/zinc/97/62/37/801976237.db2.gz WGJHDRRPCVHEGP-JZXOWHBKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)CC)[C@H](C)C1 ZINC001101731882 801989173 /nfs/dbraw/zinc/98/91/73/801989173.db2.gz MSULUZNNLAUSPB-BRWVUGGUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](CNC(=O)/C=C\C(C)(C)C)[C@H](C)C1 ZINC001101824952 801991763 /nfs/dbraw/zinc/99/17/63/801991763.db2.gz JJLYVGVBGAQYTL-LRDXNBAQSA-N 1 1 292.467 3.239 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)C(C)(C)C)[C@H](C)C1 ZINC001102093381 801998256 /nfs/dbraw/zinc/99/82/56/801998256.db2.gz LIJIIURPGCPJFW-OWCLPIDISA-N 1 1 294.483 3.319 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@H](C)C(CC)CC)[C@H](C)C1 ZINC001102108608 801999282 /nfs/dbraw/zinc/99/92/82/801999282.db2.gz ULOQIOHNXUPZCC-BFYDXBDKSA-N 1 1 294.483 3.319 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C ZINC001102326643 802003846 /nfs/dbraw/zinc/00/38/46/802003846.db2.gz WKZVKWPGDMOISD-QGPMSJSTSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@@H]1C[N@@H+](CC(=C)Cl)C[C@H]1C ZINC001102262969 802003873 /nfs/dbraw/zinc/00/38/73/802003873.db2.gz QUOVJTGOMLDNMX-VHDGCEQUSA-N 1 1 298.858 3.025 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C ZINC001102264760 802004085 /nfs/dbraw/zinc/00/40/85/802004085.db2.gz YJUDDIMZHLSDJZ-IXDOHACOSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H](CCCC)C(C)C)[C@H](C)C1 ZINC001102605019 802013796 /nfs/dbraw/zinc/01/37/96/802013796.db2.gz VMWOMBDVCFBCKJ-BRWVUGGUSA-N 1 1 294.483 3.319 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2CCCC2)C1 ZINC001102645074 802015712 /nfs/dbraw/zinc/01/57/12/802015712.db2.gz WSLGUODJWFNZHM-NVXWUHKLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccsc2)C1 ZINC001102655550 802017810 /nfs/dbraw/zinc/01/78/10/802017810.db2.gz LCTDDDKHVRYTTR-ZIAGYGMSSA-N 1 1 292.448 3.012 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC(C)(C)C)C1 ZINC001102667738 802018104 /nfs/dbraw/zinc/01/81/04/802018104.db2.gz RYUZZERXWCYUSB-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC2CC2)C1 ZINC001102796777 802020764 /nfs/dbraw/zinc/02/07/64/802020764.db2.gz DDSWSVDMXZWXPE-IUODEOHRSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC(C)=C(C)C)C1 ZINC001103313096 802029651 /nfs/dbraw/zinc/02/96/51/802029651.db2.gz BCFJYCGWPUCCCP-IAGOWNOFSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)C2CC2)C1 ZINC001103350046 802033483 /nfs/dbraw/zinc/03/34/83/802033483.db2.gz BQELHTJEZKCYGV-HUUCEWRRSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC(C)(C)C(=O)NCC[C@@H]1C[N@@H+](CC(C)C)C[C@H]1C ZINC001103475130 802034949 /nfs/dbraw/zinc/03/49/49/802034949.db2.gz VXJDRBKWZCOYBG-HZPDHXFCSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@H](C)CC)C1 ZINC001103559849 802035512 /nfs/dbraw/zinc/03/55/12/802035512.db2.gz NKRWFYJMXFDYLA-BRWVUGGUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)C)C1 ZINC001103666657 802037530 /nfs/dbraw/zinc/03/75/30/802037530.db2.gz HFXIIMFSIOCWJX-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(CC)CC)C1 ZINC001103737924 802039378 /nfs/dbraw/zinc/03/93/78/802039378.db2.gz PPCPQMMIOSZDOR-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)CC(C)C)CCC[C@@H]12 ZINC001107590048 802091953 /nfs/dbraw/zinc/09/19/53/802091953.db2.gz UDJBQBKJLMYGTC-LZLYRXPVSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC1)C2 ZINC001108855090 802103142 /nfs/dbraw/zinc/10/31/42/802103142.db2.gz CXSPDXVIEDNNLG-IKGGRYGDSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C(C)=C\CC)C2 ZINC001109011967 802106759 /nfs/dbraw/zinc/10/67/59/802106759.db2.gz UMAWVOMYGVWUPD-ZVGWJTCWSA-N 1 1 276.424 3.030 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CC(C)C)CC1)C2 ZINC001109388336 802114624 /nfs/dbraw/zinc/11/46/24/802114624.db2.gz PJJSEUBWGNXEJU-PMPSAXMXSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C(=C)C)C2 ZINC001109597495 802116106 /nfs/dbraw/zinc/11/61/06/802116106.db2.gz NCMYZCFCKOGMMF-PMPSAXMXSA-N 1 1 290.451 3.276 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](F)CC ZINC001109596506 802116431 /nfs/dbraw/zinc/11/64/31/802116431.db2.gz UKOMGQJDHKPETK-XGUBFFRZSA-N 1 1 296.430 3.058 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](F)CC ZINC001109596506 802116435 /nfs/dbraw/zinc/11/64/35/802116435.db2.gz UKOMGQJDHKPETK-XGUBFFRZSA-N 1 1 296.430 3.058 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CC(C)C)CCC1)C2 ZINC001109509992 802117370 /nfs/dbraw/zinc/11/73/70/802117370.db2.gz VJJPPETVBFUTBK-PMPSAXMXSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCC1 ZINC001109657425 802121007 /nfs/dbraw/zinc/12/10/07/802121007.db2.gz OLIIJOGTPNRKMS-IKGGRYGDSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)CC(C)C)C2 ZINC001109964523 802128692 /nfs/dbraw/zinc/12/86/92/802128692.db2.gz QHYIWDBXYWHYMT-YVSFHVDLSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C)c1 ZINC001110367561 802138984 /nfs/dbraw/zinc/13/89/84/802138984.db2.gz LSUSJOBLGYNXSC-KURKYZTESA-N 1 1 298.430 3.183 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)/C=C\C(C)(C)C)C2 ZINC001110399057 802139907 /nfs/dbraw/zinc/13/99/07/802139907.db2.gz QDSMMJMKWWUQIQ-LQGQDQFNSA-N 1 1 290.451 3.276 20 30 CGEDMO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](F)CC)C2 ZINC001110905246 802148619 /nfs/dbraw/zinc/14/86/19/802148619.db2.gz LYUGNVDKLJMJDR-QXSJWSMHSA-N 1 1 296.430 3.202 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1 ZINC001110933008 802150574 /nfs/dbraw/zinc/15/05/74/802150574.db2.gz DVXRKBWTGOZTKG-SVGFKBNWSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1 ZINC001110934090 802151146 /nfs/dbraw/zinc/15/11/46/802151146.db2.gz YCQJRKXWBSNEAA-SVGFKBNWSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(CC)CC1)C2 ZINC001110993097 802151739 /nfs/dbraw/zinc/15/17/39/802151739.db2.gz MCNYHPNAIWROLE-JJXSEGSLSA-N 1 1 290.451 3.253 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)CC(C)C)C2 ZINC001111256030 802158072 /nfs/dbraw/zinc/15/80/72/802158072.db2.gz OUFFEEIXWMILGG-OAGGEKHMSA-N 1 1 292.467 3.356 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCCC)C1 ZINC001111589480 802163084 /nfs/dbraw/zinc/16/30/84/802163084.db2.gz CQFJNWSUPBNXOH-HOCLYGCPSA-N 1 1 298.858 3.290 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCCC)C1 ZINC001111589480 802163086 /nfs/dbraw/zinc/16/30/86/802163086.db2.gz CQFJNWSUPBNXOH-HOCLYGCPSA-N 1 1 298.858 3.290 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(CC)CC)C1 ZINC001111606180 802165194 /nfs/dbraw/zinc/16/51/94/802165194.db2.gz SXFDLURDAUHWJN-WMZOPIPTSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)CCC)C1 ZINC001111668120 802166973 /nfs/dbraw/zinc/16/69/73/802166973.db2.gz AATYOOBOJKDFLT-BQFCYCMXSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCC(=C)C)C2 ZINC001111858921 802169998 /nfs/dbraw/zinc/16/99/98/802169998.db2.gz FRRKPZWMOSFGRF-WMZOPIPTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CCC)C(C)C)C1 ZINC001111888650 802170615 /nfs/dbraw/zinc/17/06/15/802170615.db2.gz OKKSMKKJVONZRT-JZXOWHBKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC(C)C)C1 ZINC001111881270 802170860 /nfs/dbraw/zinc/17/08/60/802170860.db2.gz NCJYRFZWSRCOSZ-WMZOPIPTSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)CC(C)C)C1 ZINC001111918538 802172270 /nfs/dbraw/zinc/17/22/70/802172270.db2.gz RRJDKZSVKYVXOO-BQFCYCMXSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC(=O)N1CC[NH+]([C@H](C)c2cccc(C)c2)CC1 ZINC001112688049 802185102 /nfs/dbraw/zinc/18/51/02/802185102.db2.gz DXINEDWWCMSFDC-MRXNPFEDSA-N 1 1 286.419 3.166 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[NH+](CC2=CCCCC2)CC1 ZINC001113247101 802209591 /nfs/dbraw/zinc/20/95/91/802209591.db2.gz ZSXCLUMKTOEHEY-MRXNPFEDSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C[C@H](CC(=O)N1CC[NH+](CC(=C)C)CC1)c1ccccc1 ZINC001113667322 802230573 /nfs/dbraw/zinc/23/05/73/802230573.db2.gz ZBPDHSIZBQTORN-QGZVFWFLSA-N 1 1 298.430 3.067 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC(C)(C)C)C[C@H]21 ZINC001114352586 802241930 /nfs/dbraw/zinc/24/19/30/802241930.db2.gz CTOCBDOVEZYSGE-QLPKVWCKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](CCCC(C)(C)C)C[C@H]21 ZINC001114757220 802244486 /nfs/dbraw/zinc/24/44/86/802244486.db2.gz HOBUYDODWVWBNA-QLPKVWCKSA-N 1 1 292.467 3.215 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)C(C)C ZINC001114916126 802248770 /nfs/dbraw/zinc/24/87/70/802248770.db2.gz WIKXAZVVXUPIJF-NCOADZHNSA-N 1 1 294.483 3.295 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)CC(C)C ZINC001115108815 802253343 /nfs/dbraw/zinc/25/33/43/802253343.db2.gz PLHNHOFBDRMONA-CBZIJGRNSA-N 1 1 292.467 3.071 20 30 CGEDMO C#CCCCC(=O)NCC[N@H+](CC)CC1CCCCCC1 ZINC001266388328 808254818 /nfs/dbraw/zinc/25/48/18/808254818.db2.gz ZMAJDSKNJXIEHP-UHFFFAOYSA-N 1 1 292.467 3.198 20 30 CGEDMO C=CC[C@H]([NH2+][C@H]1CCC[C@H](CC)C1)C(=O)OCC ZINC001116790423 802411346 /nfs/dbraw/zinc/41/13/46/802411346.db2.gz VCWCBPPXGYZHBY-IHRRRGAJSA-N 1 1 253.386 3.053 20 30 CGEDMO CCCCCCCC[C@@H](CC)[NH2+][C@](N)(CC)CO ZINC001172501518 808357553 /nfs/dbraw/zinc/35/75/53/808357553.db2.gz CYRDGBSSLFHFHL-HUUCEWRRSA-N 1 1 258.450 3.163 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)C2)s1 ZINC001118304398 802547448 /nfs/dbraw/zinc/54/74/48/802547448.db2.gz GWXQTIQQCGKZIL-QMMMGPOBSA-N 1 1 260.284 3.004 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)s1 ZINC001118304398 802547451 /nfs/dbraw/zinc/54/74/51/802547451.db2.gz GWXQTIQQCGKZIL-QMMMGPOBSA-N 1 1 260.284 3.004 20 30 CGEDMO CC[N@H+]1CCC[C@H](CNc2nc3ccccc3cc2C#N)C1 ZINC001118517427 802578702 /nfs/dbraw/zinc/57/87/02/802578702.db2.gz XDVHAECFNPEQLI-CQSZACIVSA-N 1 1 294.402 3.250 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCCC)C1 ZINC001120321152 802739070 /nfs/dbraw/zinc/73/90/70/802739070.db2.gz WKLGRKUPOLMMHO-IRXDYDNUSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+]2CC=C)C1 ZINC001120422055 802744678 /nfs/dbraw/zinc/74/46/78/802744678.db2.gz IREXEPCVCRGEKF-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cscc2C)C1 ZINC001206810066 813443272 /nfs/dbraw/zinc/44/32/72/813443272.db2.gz WGOUMHSESNILMP-IUODEOHRSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)c2cccs2)CC[C@H]1C ZINC001131771178 803343799 /nfs/dbraw/zinc/34/37/99/803343799.db2.gz FNLRLCAWODMQRH-ZIAGYGMSSA-N 1 1 292.448 3.297 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CC(C)(C)C)CC[C@@H]1C ZINC001131839213 803349593 /nfs/dbraw/zinc/34/95/93/803349593.db2.gz OOSSQKQMLYISPU-GJZGRUSLSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)CCCC(C)(C)C)CC[C@H]1C ZINC001131900343 803355190 /nfs/dbraw/zinc/35/51/90/803355190.db2.gz XCYCLHZJTOIRKQ-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)C(F)=C(C)C)CC[C@H]1C ZINC001131968843 803362944 /nfs/dbraw/zinc/36/29/44/803362944.db2.gz SLEKAPXKKKRUBI-ZIAGYGMSSA-N 1 1 282.403 3.185 20 30 CGEDMO CC(C)C#CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCC(C)(C)C)C1 ZINC001132020990 803367225 /nfs/dbraw/zinc/36/72/25/803367225.db2.gz JQUPOCSZICMOKD-CVEARBPZSA-N 1 1 292.467 3.051 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CC(C)(C)C2CC2)CC[C@H]1C ZINC001132007343 803367413 /nfs/dbraw/zinc/36/74/13/803367413.db2.gz ZKXHGSFFTHLGEU-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO CC(C)CC[N@H+]1C[C@H](NC(=O)C#CC(C)(C)C)CC[C@@H]1C ZINC001132039433 803368797 /nfs/dbraw/zinc/36/87/97/803368797.db2.gz YVQKWKVVJIAJMB-JKSUJKDBSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCC)C1 ZINC001132057600 803369791 /nfs/dbraw/zinc/36/97/91/803369791.db2.gz RPMAQCAOZRJORV-ZBFHGGJFSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCCC[N@H+]1C[C@H](NC(=O)/C=C(/C)CC)CC[C@H]1C ZINC001132041923 803369909 /nfs/dbraw/zinc/36/99/09/803369909.db2.gz NEKGXRMEHCMBGA-CZZMSJKLSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCCF)C1 ZINC001132057021 803370272 /nfs/dbraw/zinc/37/02/72/803370272.db2.gz IXLFUYXAYXDKFF-GDBMZVCRSA-N 1 1 296.430 3.084 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(=C)C)C1 ZINC001132060122 803371685 /nfs/dbraw/zinc/37/16/85/803371685.db2.gz ACNVGKVUTHIBEE-CABCVRRESA-N 1 1 278.440 3.134 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC=C(C)C)C1 ZINC001132071481 803372110 /nfs/dbraw/zinc/37/21/10/803372110.db2.gz BDFAIMFAKSOFNA-JKSUJKDBSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)CC2(C)CC2)CC[C@H]1C ZINC001132195725 803378851 /nfs/dbraw/zinc/37/88/51/803378851.db2.gz UFJIOCTXVQURRN-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)c2cocc2C)CC[C@H]1C ZINC001132228089 803383193 /nfs/dbraw/zinc/38/31/93/803383193.db2.gz MBYIUGGBKKCLCQ-HUUCEWRRSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](NC(=O)C2(CC)CCC2)CC[C@H]1C ZINC001132244226 803385280 /nfs/dbraw/zinc/38/52/80/803385280.db2.gz HRSRAGBINKZXPO-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C#CCCCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCCC)C1 ZINC001132241108 803385778 /nfs/dbraw/zinc/38/57/78/803385778.db2.gz QSJKEYZPJYYMHT-DLBZAZTESA-N 1 1 292.467 3.339 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)C(CCC)CCC)CC[C@H]1C ZINC001132244749 803387245 /nfs/dbraw/zinc/38/72/45/803387245.db2.gz KFZKFQGJJSDYNS-ZBFHGGJFSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCC(C)C)C1 ZINC001132248459 803387629 /nfs/dbraw/zinc/38/76/29/803387629.db2.gz GJTZUOZBVIABQH-HZPDHXFCSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](C/C=C/Cl)C1 ZINC001132249091 803387934 /nfs/dbraw/zinc/38/79/34/803387934.db2.gz LKNGHCLGVORNDA-NQCFCXBZSA-N 1 1 284.831 3.064 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](C/C=C/Cl)C1 ZINC001132249091 803387939 /nfs/dbraw/zinc/38/79/39/803387939.db2.gz LKNGHCLGVORNDA-NQCFCXBZSA-N 1 1 284.831 3.064 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)C2(C)CC=CC2)CC[C@H]1C ZINC001132266486 803389388 /nfs/dbraw/zinc/38/93/88/803389388.db2.gz XJXLDKRYBZETHA-HZPDHXFCSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[C@H](C)[N@H+](CCCF)C2)CCC1 ZINC001132281810 803390454 /nfs/dbraw/zinc/39/04/54/803390454.db2.gz FSWFVBLEMLSOFP-GJZGRUSLSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CCCF)C2)CCC1 ZINC001132281809 803391107 /nfs/dbraw/zinc/39/11/07/803391107.db2.gz FSWFVBLEMLSOFP-CABCVRRESA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[N@H+]1C[C@H](NC(=O)CCCC(C)C)CC[C@@H]1C ZINC001132318334 803395225 /nfs/dbraw/zinc/39/52/25/803395225.db2.gz NHFWFHSURRRUIM-JKSUJKDBSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](CC(=C)C)C1 ZINC001132332850 803396044 /nfs/dbraw/zinc/39/60/44/803396044.db2.gz XKBJYHNBJOGYJV-GJZGRUSLSA-N 1 1 278.440 3.134 20 30 CGEDMO C[N@H+]1CCc2ccc(-c3cc(C#N)ccc3F)cc2C1 ZINC001244559163 803438216 /nfs/dbraw/zinc/43/82/16/803438216.db2.gz HWPFDONJJGAHQH-UHFFFAOYSA-N 1 1 266.319 3.352 20 30 CGEDMO COc1ccc(-c2ccc(C[N@@H+](C)C3CC3)cn2)cc1C#N ZINC001244708052 803507116 /nfs/dbraw/zinc/50/71/16/803507116.db2.gz UQMILZDLXBUWMK-UHFFFAOYSA-N 1 1 293.370 3.223 20 30 CGEDMO COc1ccc(-c2cc(F)c3c(c2)C[N@H+](C)CC3)cc1C#N ZINC001244710929 803509201 /nfs/dbraw/zinc/50/92/01/803509201.db2.gz PZCIIJKWFARSHG-UHFFFAOYSA-N 1 1 296.345 3.361 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)cc1 ZINC001137115284 803684573 /nfs/dbraw/zinc/68/45/73/803684573.db2.gz HAPPCILHVVJLIF-OKILXGFUSA-N 1 1 292.329 3.066 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]2)CC1 ZINC001137319358 803713488 /nfs/dbraw/zinc/71/34/88/803713488.db2.gz YAVXOXXKXRWZNZ-ZDUSSCGKSA-N 1 1 253.349 3.294 20 30 CGEDMO CCCCCCC[N@@H+](C)Cc1cccc(OC)n1 ZINC001137532135 803738759 /nfs/dbraw/zinc/73/87/59/803738759.db2.gz MBNDQULZFNHRFB-UHFFFAOYSA-N 1 1 250.386 3.492 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cccc(F)c2Br)C1 ZINC001137722307 803765264 /nfs/dbraw/zinc/76/52/64/803765264.db2.gz HJMZXQZPSDYLRG-NSHDSACASA-N 1 1 296.183 3.433 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cccc(F)c2Br)C1 ZINC001137722307 803765270 /nfs/dbraw/zinc/76/52/70/803765270.db2.gz HJMZXQZPSDYLRG-NSHDSACASA-N 1 1 296.183 3.433 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3ccc4ncccc4c3)CC[C@@H]2S1 ZINC001138107247 803857679 /nfs/dbraw/zinc/85/76/79/803857679.db2.gz NTPUNFIEHVKMAZ-INIZCTEOSA-N 1 1 296.395 3.009 20 30 CGEDMO O=C1C=C2C[N@@H+](Cc3ccc4ncccc4c3)CCC2S1 ZINC001138107247 803857688 /nfs/dbraw/zinc/85/76/88/803857688.db2.gz NTPUNFIEHVKMAZ-INIZCTEOSA-N 1 1 296.395 3.009 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3ccc4ncccc4c3)CCC2S1 ZINC001138107247 803857695 /nfs/dbraw/zinc/85/76/95/803857695.db2.gz NTPUNFIEHVKMAZ-INIZCTEOSA-N 1 1 296.395 3.009 20 30 CGEDMO COC[C@@H]1CC[N@H+]1Cc1ccc(C#Cc2ccccc2)cc1 ZINC001138336363 803898061 /nfs/dbraw/zinc/89/80/61/803898061.db2.gz QXLPPQWQSASGEN-FQEVSTJZSA-N 1 1 291.394 3.307 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC[C@H]3CCC[C@H]32)cc1 ZINC001138557331 803966564 /nfs/dbraw/zinc/96/65/64/803966564.db2.gz HNNMQJAGFJSWQT-SJLPKXTDSA-N 1 1 269.388 3.463 20 30 CGEDMO C=CCc1cccc(C[N@H+](CC)C2CCOCC2)c1O ZINC001138629083 803985183 /nfs/dbraw/zinc/98/51/83/803985183.db2.gz NFFSNFTVZHQYNJ-UHFFFAOYSA-N 1 1 275.392 3.122 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CCn3cccc3[C@H]2C)c1O ZINC001138628009 803985839 /nfs/dbraw/zinc/98/58/39/803985839.db2.gz LRCUDFCAMGXJNG-CQSZACIVSA-N 1 1 282.387 3.499 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1CCCC12COC2 ZINC001138665287 803997198 /nfs/dbraw/zinc/99/71/98/803997198.db2.gz LRNWHKRFHWLVMB-UHFFFAOYSA-N 1 1 273.376 3.006 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CCCC12COC2 ZINC001138665287 803997201 /nfs/dbraw/zinc/99/72/01/803997201.db2.gz LRNWHKRFHWLVMB-UHFFFAOYSA-N 1 1 273.376 3.006 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+](C)C1CCOCC1 ZINC001138663611 803997787 /nfs/dbraw/zinc/99/77/87/803997787.db2.gz ZYDGFQDOYWVSLF-UHFFFAOYSA-N 1 1 275.392 3.252 20 30 CGEDMO CCCCCCCC[C@H](O)CN1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001246058855 804105023 /nfs/dbraw/zinc/10/50/23/804105023.db2.gz GVZZQRWVBVFBBV-FGTMMUONSA-N 1 1 296.499 3.172 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C(F)(F)F)cn1 ZINC001139014776 804110305 /nfs/dbraw/zinc/11/03/05/804110305.db2.gz DDDURHNFTPMIDV-OJNYZHBWSA-N 1 1 295.308 3.367 20 30 CGEDMO C=CCOc1ccccc1CN1CC[N@H+](CC)CC1(C)C ZINC001139031421 804114660 /nfs/dbraw/zinc/11/46/60/804114660.db2.gz XTBBFDWKNDFWAH-UHFFFAOYSA-N 1 1 288.435 3.168 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1ccc(Oc2ncccn2)cc1 ZINC001139080465 804125892 /nfs/dbraw/zinc/12/58/92/804125892.db2.gz FJTHBQKRPXWFLD-UHFFFAOYSA-N 1 1 296.374 3.395 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1ccc(Oc2ncccn2)cc1 ZINC001139080465 804125897 /nfs/dbraw/zinc/12/58/97/804125897.db2.gz FJTHBQKRPXWFLD-UHFFFAOYSA-N 1 1 296.374 3.395 20 30 CGEDMO CCCCCCCCC[C@@H](C)[NH2+][C@H]1CNC[C@@H]1OC ZINC001246238520 804230600 /nfs/dbraw/zinc/23/06/00/804230600.db2.gz FXJBKFWSYABKRO-PMPSAXMXSA-N 1 1 270.461 3.092 20 30 CGEDMO C#Cc1ccc(CNC2C[C@@H](CC)[NH2+][C@H](CC)C2)cc1 ZINC001246266798 804246750 /nfs/dbraw/zinc/24/67/50/804246750.db2.gz PUDHROCZGZKOTN-IAGOWNOFSA-N 1 1 270.420 3.067 20 30 CGEDMO C=CCn1cc(C[N@H+](CC)Cc2ccccc2)cn1 ZINC001139766225 804277647 /nfs/dbraw/zinc/27/76/47/804277647.db2.gz MRHFCUQAPKRBPE-UHFFFAOYSA-N 1 1 255.365 3.091 20 30 CGEDMO CCCCCCC[C@@H](CCC)[NH2+][C@@H]1CCNC[C@@H]1CO ZINC001246319587 804278522 /nfs/dbraw/zinc/27/85/22/804278522.db2.gz FCUUJBKIEWMPQI-BRWVUGGUSA-N 1 1 284.488 3.076 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(OC3CC3)cc2)no1 ZINC001212325114 815005126 /nfs/dbraw/zinc/00/51/26/815005126.db2.gz IRJBVONCCSKDEC-HNNXBMFYSA-N 1 1 297.358 3.081 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc3scnc3c2)no1 ZINC001212325328 815005505 /nfs/dbraw/zinc/00/55/05/815005505.db2.gz OGXHNNGCDSTXQA-NSHDSACASA-N 1 1 298.371 3.150 20 30 CGEDMO CCCCCCCC[C@@H](CC)[NH2+][C@H]1CCNC[C@H]1OC ZINC001246352654 804299868 /nfs/dbraw/zinc/29/98/68/804299868.db2.gz YNMSTVUQOCULSW-IXDOHACOSA-N 1 1 284.488 3.482 20 30 CGEDMO C=CC[N@H+](C)Cc1c2cc(C)ccc2[nH]c1C(=O)OCC ZINC001139867050 804301917 /nfs/dbraw/zinc/30/19/17/804301917.db2.gz RXJLEGIWZUVEBV-UHFFFAOYSA-N 1 1 286.375 3.271 20 30 CGEDMO C[C@@]1(F)CCC[N@@H+](Cc2cc(F)cc(C#N)c2)CC1 ZINC001139873172 804306157 /nfs/dbraw/zinc/30/61/57/804306157.db2.gz DAJZDKOFYZQQRT-OAHLLOKOSA-N 1 1 264.319 3.411 20 30 CGEDMO N#Cc1cc(F)cc(C[N@@H+]2CCC[C@@H]2c2cccnc2)c1 ZINC001139873657 804306242 /nfs/dbraw/zinc/30/62/42/804306242.db2.gz ZIQMPRTVRKGOPS-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1cc(F)cc(C[N@H+]2CCC[C@@H]2c2cccnc2)c1 ZINC001139873657 804306252 /nfs/dbraw/zinc/30/62/52/804306252.db2.gz ZIQMPRTVRKGOPS-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1c[nH]c2ncnc(Cl)c12 ZINC001139937677 804331076 /nfs/dbraw/zinc/33/10/76/804331076.db2.gz URLUVFXQFRLVLN-UHFFFAOYSA-N 1 1 291.786 3.079 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1c[nH]c2ncnc(Cl)c12 ZINC001139937677 804331087 /nfs/dbraw/zinc/33/10/87/804331087.db2.gz URLUVFXQFRLVLN-UHFFFAOYSA-N 1 1 291.786 3.079 20 30 CGEDMO C=CC[N@H+](Cc1ccc2c(cnn2C)c1)C(C)(C)C ZINC001139956915 804335427 /nfs/dbraw/zinc/33/54/27/804335427.db2.gz ADCFNLWYVDKDOM-UHFFFAOYSA-N 1 1 257.381 3.360 20 30 CGEDMO CC[C@]1(NC2CCC(c3ccc(C#N)cc3)CC2)CC[NH2+]C1 ZINC001246460405 804342487 /nfs/dbraw/zinc/34/24/87/804342487.db2.gz MJHFDNJQHNUXFQ-ACBHZAAOSA-N 1 1 297.446 3.316 20 30 CGEDMO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCCC[C@H]2N)CC1 ZINC001246475326 804351762 /nfs/dbraw/zinc/35/17/62/804351762.db2.gz FCGWLLOCAAMWBN-IAFLDTSXSA-N 1 1 297.446 3.250 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccccc2-c2cncnc2)CC1 ZINC001140022144 804352325 /nfs/dbraw/zinc/35/23/25/804352325.db2.gz IEFGOMLHPPMUOK-OAHLLOKOSA-N 1 1 292.386 3.269 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2OC)C1 ZINC001140062275 804364710 /nfs/dbraw/zinc/36/47/10/804364710.db2.gz QGAJKIPESNTAQH-GFCCVEGCSA-N 1 1 263.768 3.194 20 30 CGEDMO C[C@@]1(CO)CCC[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)CC1 ZINC001140110506 804378840 /nfs/dbraw/zinc/37/88/40/804378840.db2.gz MKWJPWCCDAUCIH-GOSISDBHSA-N 1 1 297.402 3.024 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140110305 804379681 /nfs/dbraw/zinc/37/96/81/804379681.db2.gz DVCTWUBLISOASG-LBPRGKRZSA-N 1 1 253.349 3.271 20 30 CGEDMO N#Cc1ccc2[nH]cc(C[N@@H+]3CCCC[C@H](F)C3)c2c1 ZINC001140110431 804380375 /nfs/dbraw/zinc/38/03/75/804380375.db2.gz LUQUNNQIEPNYKX-AWEZNQCLSA-N 1 1 271.339 3.364 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1F)C[C@@H]1Cc2ccccc2O1 ZINC001140141368 804386474 /nfs/dbraw/zinc/38/64/74/804386474.db2.gz UVPTUVCQDSWWJP-INIZCTEOSA-N 1 1 296.345 3.133 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1F)C[C@@H]1Cc2ccccc2O1 ZINC001140141368 804386482 /nfs/dbraw/zinc/38/64/82/804386482.db2.gz UVPTUVCQDSWWJP-INIZCTEOSA-N 1 1 296.345 3.133 20 30 CGEDMO CCCCCCCCC[C@H](C)[N@@H+]1CCOC2(CNC2)C1 ZINC001246619096 804454095 /nfs/dbraw/zinc/45/40/95/804454095.db2.gz HMUFGLJFUNSQMY-INIZCTEOSA-N 1 1 282.472 3.190 20 30 CGEDMO CCCCCCCCC[C@H](C)[N@H+]1CCOC2(CNC2)C1 ZINC001246619096 804454098 /nfs/dbraw/zinc/45/40/98/804454098.db2.gz HMUFGLJFUNSQMY-INIZCTEOSA-N 1 1 282.472 3.190 20 30 CGEDMO C=CC[NH+]1CCN(Cc2csc3ccccc23)CC1 ZINC001140637976 804479930 /nfs/dbraw/zinc/47/99/30/804479930.db2.gz BXMVVZUGTIRUMN-UHFFFAOYSA-N 1 1 272.417 3.205 20 30 CGEDMO Cn1cnc2ccc(C[N@@H+](C)Cc3cccc(C#N)c3)cc21 ZINC001140740380 804500472 /nfs/dbraw/zinc/50/04/72/804500472.db2.gz JIENDDBCUFQFIH-UHFFFAOYSA-N 1 1 290.370 3.077 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CCNC[C@@H]1c1ccccc1F ZINC001246800638 804522313 /nfs/dbraw/zinc/52/23/13/804522313.db2.gz ZRXMSVLCMQJSLV-XJKSGUPXSA-N 1 1 262.372 3.127 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCNC[C@@H]1c1ccccc1F ZINC001246800638 804522317 /nfs/dbraw/zinc/52/23/17/804522317.db2.gz ZRXMSVLCMQJSLV-XJKSGUPXSA-N 1 1 262.372 3.127 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c1Cl ZINC001140808254 804525726 /nfs/dbraw/zinc/52/57/26/804525726.db2.gz NPCJVXGBEBPPRO-DZGCQCFKSA-N 1 1 290.794 3.213 20 30 CGEDMO COc1cc(F)c(C[NH+]2CCC(CC#N)CC2)c(F)c1 ZINC001140826294 804529535 /nfs/dbraw/zinc/52/95/35/804529535.db2.gz FOQJOQMPDJEAKA-UHFFFAOYSA-N 1 1 280.318 3.099 20 30 CGEDMO CC(C)(C)OC(=O)O[C@H]1CC[N@H+](C2CCC(C#N)CC2)C1 ZINC001256965649 807018301 /nfs/dbraw/zinc/01/83/01/807018301.db2.gz WLVBODRAHLHDLV-RUXDESIVSA-N 1 1 294.395 3.095 20 30 CGEDMO COc1ccc(C[N@@H+](C)C2CCC(C#N)CC2)cc1OC ZINC001256968886 807018401 /nfs/dbraw/zinc/01/84/01/807018401.db2.gz QTMRXELGGQHESB-UHFFFAOYSA-N 1 1 288.391 3.218 20 30 CGEDMO C[N@@H+]([C@@H]1CCN(Cc2ccccc2)C1)C1CCC(C#N)CC1 ZINC001256964866 807019189 /nfs/dbraw/zinc/01/91/89/807019189.db2.gz FVVVDLXAXDCDMR-NKELODKYSA-N 1 1 297.446 3.275 20 30 CGEDMO N#CC1CCC([N@H+]2CC[C@H]2COCc2ccccc2)CC1 ZINC001256969044 807019419 /nfs/dbraw/zinc/01/94/19/807019419.db2.gz YHZISOFZRXDZSY-VJFUWPCTSA-N 1 1 284.403 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CCNC[C@H]1c1ccc(F)cc1 ZINC001246887468 804581629 /nfs/dbraw/zinc/58/16/29/804581629.db2.gz OXDGSYAKIBSOKV-BBRMVZONSA-N 1 1 262.372 3.127 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCNC[C@H]1c1ccc(F)cc1 ZINC001246887468 804581634 /nfs/dbraw/zinc/58/16/34/804581634.db2.gz OXDGSYAKIBSOKV-BBRMVZONSA-N 1 1 262.372 3.127 20 30 CGEDMO CC[N@H+](CCNC)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246892394 804583809 /nfs/dbraw/zinc/58/38/09/804583809.db2.gz RJJGPBGOZYPSJT-UHFFFAOYSA-N 1 1 285.435 3.126 20 30 CGEDMO CC[N@@H+](CCNC)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246892394 804583814 /nfs/dbraw/zinc/58/38/14/804583814.db2.gz RJJGPBGOZYPSJT-UHFFFAOYSA-N 1 1 285.435 3.126 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CCN[C@@H](CCC)C3)C[C@H](C1)C2 ZINC001246902698 804587824 /nfs/dbraw/zinc/58/78/24/804587824.db2.gz MDXCFOGVQWJEFR-TVXGVJEUSA-N 1 1 262.441 3.195 20 30 CGEDMO CC[C@H](N)C[N@@H+](C)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246974269 804623860 /nfs/dbraw/zinc/62/38/60/804623860.db2.gz NZFAKJVWSZOLRG-ADKAHSJRSA-N 1 1 285.435 3.254 20 30 CGEDMO CC[C@H]([NH3+])CN(C)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246974269 804623866 /nfs/dbraw/zinc/62/38/66/804623866.db2.gz NZFAKJVWSZOLRG-ADKAHSJRSA-N 1 1 285.435 3.254 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2cc3cccnc3cc2F)CC1 ZINC001141630885 804658245 /nfs/dbraw/zinc/65/82/45/804658245.db2.gz GVFCRZZYWUUJBQ-CYBMUJFWSA-N 1 1 283.350 3.500 20 30 CGEDMO CCCCCCCCNC(=S)NC[C@@H]1CCCC[N@H+]1C ZINC001247166174 804672680 /nfs/dbraw/zinc/67/26/80/804672680.db2.gz FARSSLJLVWBYKG-HNNXBMFYSA-N 1 1 299.528 3.295 20 30 CGEDMO CCCCCCCCNC(=S)N[C@H]1CCC[N@@H+](C)CC1 ZINC001247172088 804674329 /nfs/dbraw/zinc/67/43/29/804674329.db2.gz UWARADCZHWXJMZ-HNNXBMFYSA-N 1 1 299.528 3.295 20 30 CGEDMO CCOC(=O)c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1 ZINC001142599325 804744371 /nfs/dbraw/zinc/74/43/71/804744371.db2.gz FUISFEVOKGTGRI-XGBSXSJOSA-N 1 1 298.386 3.130 20 30 CGEDMO C#CC[C@H]([NH3+])c1nc(-c2ccc(Cl)cc2Cl)no1 ZINC001247610327 804780003 /nfs/dbraw/zinc/78/00/03/804780003.db2.gz XXERKOORWIWFFX-JTQLQIEISA-N 1 1 282.130 3.067 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2cccc(OC(C)C)c2)no1 ZINC001247622556 804782891 /nfs/dbraw/zinc/78/28/91/804782891.db2.gz NJDRQPCVOARFNT-AWEZNQCLSA-N 1 1 287.363 3.490 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cccc3ccoc32)no1 ZINC001247622170 804783270 /nfs/dbraw/zinc/78/32/70/804783270.db2.gz HQUOJIWGPJNVJI-GFCCVEGCSA-N 1 1 269.304 3.449 20 30 CGEDMO N#Cc1ccc2c(C[N@@H+]3CC[C@@]4(CC4(F)F)C3)c[nH]c2c1 ZINC001142921157 804784405 /nfs/dbraw/zinc/78/44/05/804784405.db2.gz JEFZRQYEXZVBML-OAHLLOKOSA-N 1 1 287.313 3.271 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cc(Cl)ccc2F)no1 ZINC001247623012 804784838 /nfs/dbraw/zinc/78/48/38/804784838.db2.gz VALGYDDFDYNTRP-LLVKDONJSA-N 1 1 281.718 3.495 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1c[nH]c2cc(C#N)ccc12 ZINC001142922406 804784866 /nfs/dbraw/zinc/78/48/66/804784866.db2.gz GULHZERNFYVFGY-UHFFFAOYSA-N 1 1 253.349 3.438 20 30 CGEDMO N#Cc1ccc2c(C[N@H+]3CCC[C@H]4C[C@H]43)c[nH]c2c1 ZINC001142925660 804785109 /nfs/dbraw/zinc/78/51/09/804785109.db2.gz AZVVYAGHCBHDGR-BLLLJJGKSA-N 1 1 251.333 3.024 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2cccc3c2CCCC3)no1 ZINC001247963649 804857205 /nfs/dbraw/zinc/85/72/05/804857205.db2.gz QWHSPIMBGCHOCL-AWEZNQCLSA-N 1 1 269.348 3.191 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2cc(Cl)ccc2F)no1 ZINC001247968154 804858886 /nfs/dbraw/zinc/85/88/86/804858886.db2.gz UIXSSEKCWPTGDL-JTQLQIEISA-N 1 1 267.691 3.105 20 30 CGEDMO COc1c(F)cccc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001143530022 804862715 /nfs/dbraw/zinc/86/27/15/804862715.db2.gz KJQAWPYTTOIXAF-DEZZGGKRSA-N 1 1 274.339 3.101 20 30 CGEDMO C[N@@H+](C1CCC(c2ccc(C#N)cc2)CC1)C1(C)COC1 ZINC001257018688 807029774 /nfs/dbraw/zinc/02/97/74/807029774.db2.gz BHDCWQYARDMRKA-UHFFFAOYSA-N 1 1 284.403 3.305 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc(-n3cccc3)cc2)C1 ZINC001144245676 804960676 /nfs/dbraw/zinc/96/06/76/804960676.db2.gz ALTOJPDFNQFAJV-INIZCTEOSA-N 1 1 264.372 3.323 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCc2c(O)cccc2C1 ZINC001248748213 804981970 /nfs/dbraw/zinc/98/19/70/804981970.db2.gz AQVDVTDMGMJEFZ-UHFFFAOYSA-N 1 1 292.382 3.385 20 30 CGEDMO CCc1cc(C#N)ccc1CN1CC[N@@H+](C)CC12CCCC2 ZINC001248753285 804986284 /nfs/dbraw/zinc/98/62/84/804986284.db2.gz ZQYRJMICRGHNEV-UHFFFAOYSA-N 1 1 297.446 3.181 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@@H+]1CCN(C)CC12CCCC2 ZINC001248753285 804986286 /nfs/dbraw/zinc/98/62/86/804986286.db2.gz ZQYRJMICRGHNEV-UHFFFAOYSA-N 1 1 297.446 3.181 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCN(C)CC12CCCC2 ZINC001248753285 804986291 /nfs/dbraw/zinc/98/62/91/804986291.db2.gz ZQYRJMICRGHNEV-UHFFFAOYSA-N 1 1 297.446 3.181 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)Cc1cnc(OC)c(F)c1 ZINC001144468148 804993464 /nfs/dbraw/zinc/99/34/64/804993464.db2.gz LTKONKAIIQJPRZ-UHFFFAOYSA-N 1 1 286.350 3.418 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cnc(OC)c(F)c1 ZINC001144468148 804993470 /nfs/dbraw/zinc/99/34/70/804993470.db2.gz LTKONKAIIQJPRZ-UHFFFAOYSA-N 1 1 286.350 3.418 20 30 CGEDMO CCCCCCC[N@@H+](C)Cc1c(O)cc(O)cc1O ZINC001144508922 804997847 /nfs/dbraw/zinc/99/78/47/804997847.db2.gz DLHTYFHXCMDZRT-UHFFFAOYSA-N 1 1 267.369 3.206 20 30 CGEDMO C#CC[N@H+](C)Cc1cc(Cl)cc(Br)c1 ZINC001144690181 805034693 /nfs/dbraw/zinc/03/46/93/805034693.db2.gz YUKLUHXGJNPOPA-UHFFFAOYSA-N 1 1 272.573 3.168 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C)CCCC)C2)C1 ZINC001147468574 805132283 /nfs/dbraw/zinc/13/22/83/805132283.db2.gz SBUCSZXHVWHQEY-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CCC(=O)N1CC2(C1)CC[N@H+](CC/C=C/CC)C2 ZINC001147639894 805141297 /nfs/dbraw/zinc/14/12/97/805141297.db2.gz GLEUNLOATIZYGG-AATRIKPKSA-N 1 1 290.451 3.233 20 30 CGEDMO COC(C)(C)[C@H]1CCC[N@H+]1Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249429104 805146346 /nfs/dbraw/zinc/14/63/46/805146346.db2.gz NNUDTETYFUMBBM-QGZVFWFLSA-N 1 1 297.402 3.429 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cc3ccc(C#N)cc3[nH]2)CC[C@@]1(C)O ZINC001249426349 805146532 /nfs/dbraw/zinc/14/65/32/805146532.db2.gz MXMWRSFQELRGCS-FZKQIMNGSA-N 1 1 297.402 3.022 20 30 CGEDMO C=C[C@@H](C)[C@H](C)C(=O)N1CC2(C1)CC[N@H+](CCCCC)C2 ZINC001148095209 805162119 /nfs/dbraw/zinc/16/21/19/805162119.db2.gz DXAWUKUQXIMHNI-CVEARBPZSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](CCCCC)C2 ZINC001148129745 805164110 /nfs/dbraw/zinc/16/41/10/805164110.db2.gz ICGRMYQSUKNZJL-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO N#Cc1cc(F)c(Nc2cc[nH+]cc2C(F)(F)F)c(F)c1 ZINC001249590368 805183147 /nfs/dbraw/zinc/18/31/47/805183147.db2.gz QVRGSUMQEPRHFD-UHFFFAOYSA-N 1 1 299.202 3.416 20 30 CGEDMO CCCCCCCNC(=O)c1ccc(C[NH+](C)C)o1 ZINC001148483750 805187959 /nfs/dbraw/zinc/18/79/59/805187959.db2.gz POVPKRVHHVAGPO-UHFFFAOYSA-N 1 1 266.385 3.041 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H](C)CC(C)C)C2)C1 ZINC001148496274 805190204 /nfs/dbraw/zinc/19/02/04/805190204.db2.gz KZVIPTHVXWBFEW-MRXNPFEDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1CCC2(CN(C(=O)[C@@H](CCC)CC(C)C)C2)C1 ZINC001148869094 805212928 /nfs/dbraw/zinc/21/29/28/805212928.db2.gz YHYAJIPQUQOZMX-INIZCTEOSA-N 1 1 292.467 3.169 20 30 CGEDMO Cc1ccnn1C1CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC001249693005 805214804 /nfs/dbraw/zinc/21/48/04/805214804.db2.gz HOZMKELMTUUFEA-UHFFFAOYSA-N 1 1 298.365 3.039 20 30 CGEDMO Cc1sc(Nc2c[nH+]c(N)c(C)c2)c(C#N)c1C ZINC001249782141 805243435 /nfs/dbraw/zinc/24/34/35/805243435.db2.gz PUVDJAZKALIZMD-UHFFFAOYSA-N 1 1 258.350 3.266 20 30 CGEDMO Cc1cc(C#N)c(Nc2c[nH+]c(N)c(C)c2)cc1F ZINC001249794325 805251599 /nfs/dbraw/zinc/25/15/99/805251599.db2.gz PMKZSMMLEVDBPG-UHFFFAOYSA-N 1 1 256.284 3.035 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)c1ccccc1F ZINC001151605350 805301617 /nfs/dbraw/zinc/30/16/17/805301617.db2.gz HPEALOUFRSRLHO-CQSZACIVSA-N 1 1 292.398 3.232 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)/C(C)=C\CC ZINC001152187715 805338707 /nfs/dbraw/zinc/33/87/07/805338707.db2.gz BSWVRLNZABROSC-KQGZCTBQSA-N 1 1 266.429 3.136 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)CCc1ccoc1 ZINC001152666212 805361191 /nfs/dbraw/zinc/36/11/91/805361191.db2.gz NVKTVXMMFXZCQW-OAHLLOKOSA-N 1 1 292.423 3.005 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)c1ccoc1Cl ZINC001153012783 805379378 /nfs/dbraw/zinc/37/93/78/805379378.db2.gz RZHWFXAKXZUTQD-GFCCVEGCSA-N 1 1 298.814 3.339 20 30 CGEDMO C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)C1(C)CC1 ZINC001153496908 805399547 /nfs/dbraw/zinc/39/95/47/805399547.db2.gz HKCCCWXOBXCAII-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(C)c(F)c1 ZINC001154225780 805442624 /nfs/dbraw/zinc/44/26/24/805442624.db2.gz ZOAAAADOEFNEDS-CQSZACIVSA-N 1 1 292.398 3.150 20 30 CGEDMO C#Cc1ccc(C(=O)NC[C@@H](C)[N@@H+](CC)CCC(=C)C)cc1 ZINC001154574616 805463631 /nfs/dbraw/zinc/46/36/31/805463631.db2.gz UWDHPJCXAOBFEC-MRXNPFEDSA-N 1 1 298.430 3.074 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC1(C)C ZINC001154737442 805480961 /nfs/dbraw/zinc/48/09/61/805480961.db2.gz WVYAODXIABXZBO-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC1(C)C ZINC001154757614 805483460 /nfs/dbraw/zinc/48/34/60/805483460.db2.gz RXEIGNGBPSFXOL-OLZOCXBDSA-N 1 1 286.847 3.002 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC1(C)C ZINC001154757614 805483463 /nfs/dbraw/zinc/48/34/63/805483463.db2.gz RXEIGNGBPSFXOL-OLZOCXBDSA-N 1 1 286.847 3.002 20 30 CGEDMO C=CCCCC(=O)NC[C@@H](C)[N@H+](CC)CCCCC ZINC001154928318 805510371 /nfs/dbraw/zinc/51/03/71/805510371.db2.gz XGLUDRDFOZGWGX-OAHLLOKOSA-N 1 1 268.445 3.360 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)C1CCC(=C)CC1 ZINC001155028318 805526330 /nfs/dbraw/zinc/52/63/30/805526330.db2.gz YKTFDRUSZZYLCD-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC1(C(=O)NC[C@@H](C)[N@@H+](CC)CC[C@H](C)F)CC1 ZINC001155037167 805528066 /nfs/dbraw/zinc/52/80/66/805528066.db2.gz RCKRDWHCHUELEL-LSDHHAIUSA-N 1 1 298.446 3.308 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)c1occc1Cl ZINC001155088608 805539406 /nfs/dbraw/zinc/53/94/06/805539406.db2.gz FBTZGWAIAGGKFF-GFCCVEGCSA-N 1 1 298.814 3.339 20 30 CGEDMO C[C@@H]1[C@H](CO)CC[N@H+]1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257016920 807027998 /nfs/dbraw/zinc/02/79/98/807027998.db2.gz KIHBBNIGFKYIIU-SIBREGTBSA-N 1 1 298.430 3.287 20 30 CGEDMO C=CCN1C(=O)CCC[C@@]12CCC[N@H+](C(CC)CC)C2 ZINC001257296359 807092836 /nfs/dbraw/zinc/09/28/36/807092836.db2.gz LHOMUDKLEWTGRY-KRWDZBQOSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CCOC(=O)N1CCC[C@]2(CC[N@H+]([C@H](C)CCC)C2)C1 ZINC001257317234 807103702 /nfs/dbraw/zinc/10/37/02/807103702.db2.gz VCDCHVLVKSRIIV-NVXWUHKLSA-N 1 1 294.439 3.286 20 30 CGEDMO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@H]2CCCC[C@@H]2C)c1 ZINC001167072990 807143002 /nfs/dbraw/zinc/14/30/02/807143002.db2.gz WWZLWYGDXPCRGA-DOTOQJQBSA-N 1 1 298.430 3.365 20 30 CGEDMO C#CC[N@H+](C[C@@H](O)CC1CCCC1)C1CCCCC1 ZINC001167273744 807174701 /nfs/dbraw/zinc/17/47/01/807174701.db2.gz RBVYMUNDTPZXLB-KRWDZBQOSA-N 1 1 263.425 3.196 20 30 CGEDMO N#Cc1ccccc1N1CCC[N@@H+](CCCC2CC2)CC1 ZINC001167318789 807180672 /nfs/dbraw/zinc/18/06/72/807180672.db2.gz SUFYNHQRHVGGRL-UHFFFAOYSA-N 1 1 283.419 3.261 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1c1ccc(NCc2cccnn2)cc1 ZINC001167334705 807183330 /nfs/dbraw/zinc/18/33/30/807183330.db2.gz RTGLACLYFMSGCR-SFHVURJKSA-N 1 1 294.402 3.412 20 30 CGEDMO C=CCCCCC[N@@H+](C)Cc1csnc1OC ZINC001167462063 807194270 /nfs/dbraw/zinc/19/42/70/807194270.db2.gz ZHADDEMYMHGYJW-UHFFFAOYSA-N 1 1 254.399 3.330 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1csnc1OC ZINC001167462063 807194275 /nfs/dbraw/zinc/19/42/75/807194275.db2.gz ZHADDEMYMHGYJW-UHFFFAOYSA-N 1 1 254.399 3.330 20 30 CGEDMO CCCCCCCCCC[C@H](C)[N@H+]1C[C@H](O)[C@H](CO)C1 ZINC001257550690 807196047 /nfs/dbraw/zinc/19/60/47/807196047.db2.gz QUZOKOIVJNKTMP-ULQDDVLXSA-N 1 1 285.472 3.191 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC001167499590 807199300 /nfs/dbraw/zinc/19/93/00/807199300.db2.gz LNMHWADNQLKCCW-AEFFLSMTSA-N 1 1 271.404 3.327 20 30 CGEDMO Cc1cc2cc[nH+]c(NCc3ccccc3C#N)c2[nH]1 ZINC001167633742 807220976 /nfs/dbraw/zinc/22/09/76/807220976.db2.gz OWQXBLVCTPVFCW-UHFFFAOYSA-N 1 1 262.316 3.355 20 30 CGEDMO C[C@H](Nc1cccn2cc[nH+]c12)c1cccc(C#N)c1 ZINC001167709663 807231130 /nfs/dbraw/zinc/23/11/30/807231130.db2.gz AXLLIXVPGIQRMO-LBPRGKRZSA-N 1 1 262.316 3.379 20 30 CGEDMO C=C1C[C@@H]2CC([NH2+][C@@H](CCC)C(=O)OC)C[C@H](C1)C2 ZINC001257887957 807238776 /nfs/dbraw/zinc/23/87/76/807238776.db2.gz QFMMDHIFIBKGDS-IXXDHKBRSA-N 1 1 265.397 3.053 20 30 CGEDMO C=C1C[C@@H]2CC([NH2+]Cc3noc(C(C)C)n3)C[C@H](C1)C2 ZINC001257887435 807238877 /nfs/dbraw/zinc/23/88/77/807238877.db2.gz XUYMEWSEKHRHIF-PBWFPOADSA-N 1 1 275.396 3.418 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CC[C@@H](Oc4cnccn4)C3)C[C@H](C1)C2 ZINC001257894499 807244150 /nfs/dbraw/zinc/24/41/50/807244150.db2.gz XOJCHAVNPLHJHT-FCLJQHQZSA-N 1 1 299.418 3.065 20 30 CGEDMO CC1(C#N)CC[NH+]([C@@H]2COc3ccc(Cl)cc3C2)CC1 ZINC001257968759 807258578 /nfs/dbraw/zinc/25/85/78/807258578.db2.gz OSJMLQBBXUWDFO-AWEZNQCLSA-N 1 1 290.794 3.269 20 30 CGEDMO CCCCCCC[C@@H](C)N(C(N)=[NH2+])c1cc(C)n[nH]1 ZINC001258043935 807273551 /nfs/dbraw/zinc/27/35/51/807273551.db2.gz VJAKBJGNGVVIOJ-GFCCVEGCSA-N 1 1 265.405 3.167 20 30 CGEDMO CCCCCCCCCCC[C@@H](C)[NH2+]C[C@@H](O)CN ZINC001258052906 807279099 /nfs/dbraw/zinc/27/90/99/807279099.db2.gz VJDDGCCJAVXMKH-CVEARBPZSA-N 1 1 272.477 3.205 20 30 CGEDMO C=CC[C@@H]([NH2+][C@@H](C)C[C@@H](C)CC(C)C)C(=O)OC ZINC001258067391 807286004 /nfs/dbraw/zinc/28/60/04/807286004.db2.gz SDWTWPAVYMITKH-MELADBBJSA-N 1 1 255.402 3.155 20 30 CGEDMO C#CC(C)(C)NC1C[C@H](C)[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC001168007418 807298511 /nfs/dbraw/zinc/29/85/11/807298511.db2.gz APQARNDJYRWSKO-HOTGVXAUSA-N 1 1 284.447 3.429 20 30 CGEDMO C=CCOC(=O)[C@@H]([NH2+]C1CCC(C)CC1)[C@@H](C)CC ZINC001168200427 807347160 /nfs/dbraw/zinc/34/71/60/807347160.db2.gz CIVMRTRTYCKADE-SHWKFHJASA-N 1 1 267.413 3.299 20 30 CGEDMO C=CCN1CC[C@@]2(CCC[N@H+](C3CCC(C)CC3)C2)C1=O ZINC001168211710 807351876 /nfs/dbraw/zinc/35/18/76/807351876.db2.gz HTZFNVYMAAUCKK-LEOMRAHMSA-N 1 1 290.451 3.066 20 30 CGEDMO CC(C)(NC1CC[NH+](CC2CC2)CC1)c1ccc(C#N)cc1 ZINC001168356437 807392128 /nfs/dbraw/zinc/39/21/28/807392128.db2.gz RVLFXPKKFHJLFI-UHFFFAOYSA-N 1 1 297.446 3.257 20 30 CGEDMO CC(C)([NH2+]C1CCN(CC2CC2)CC1)c1ccc(C#N)cc1 ZINC001168356437 807392136 /nfs/dbraw/zinc/39/21/36/807392136.db2.gz RVLFXPKKFHJLFI-UHFFFAOYSA-N 1 1 297.446 3.257 20 30 CGEDMO C[N@H+]1CC[C@@H](c2ccc(NCCCCC#N)cc2)C1 ZINC001168436242 807414527 /nfs/dbraw/zinc/41/45/27/807414527.db2.gz MJSHCKPABQUFNK-OAHLLOKOSA-N 1 1 257.381 3.211 20 30 CGEDMO C=CCN1CC[C@@]2(CCC[N@H+]([C@H]3CCC(C)(C)C3)C2)C1=O ZINC001258599909 807499232 /nfs/dbraw/zinc/49/92/32/807499232.db2.gz DRRTTZILLXGYTC-MAUKXSAKSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[C@@H]([NH2+][C@@H](CCC)CCCCC)C(=O)OC ZINC001258664411 807532009 /nfs/dbraw/zinc/53/20/09/807532009.db2.gz JRVNPUBNFRKRTG-UONOGXRCSA-N 1 1 255.402 3.443 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039899 807557159 /nfs/dbraw/zinc/55/71/59/807557159.db2.gz VOTYNUQEHLGBLM-HOTGVXAUSA-N 1 1 274.364 3.120 20 30 CGEDMO C=CCC[C@@H](C)[NH2+][C@@H](CCSC)C(=O)OC(C)C ZINC001258720989 807568493 /nfs/dbraw/zinc/56/84/93/807568493.db2.gz KNKQFJBKOCBWBC-OLZOCXBDSA-N 1 1 273.442 3.004 20 30 CGEDMO C=CCC[C@H](C)[N@H+](Cc1ccccc1)C[C@H](C)C[NH3+] ZINC001258721363 807569901 /nfs/dbraw/zinc/56/99/01/807569901.db2.gz TZKNARRKLATWIZ-CVEARBPZSA-N 1 1 260.425 3.438 20 30 CGEDMO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]C(C)(C)c1ccc(C#N)cc1)C2 ZINC001169091172 807570544 /nfs/dbraw/zinc/57/05/44/807570544.db2.gz OPZAXCIJKCJJMM-BJWYYQGGSA-N 1 1 283.419 3.008 20 30 CGEDMO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(C)(C)c1ccc(C#N)cc1)C2 ZINC001169091172 807570548 /nfs/dbraw/zinc/57/05/48/807570548.db2.gz OPZAXCIJKCJJMM-BJWYYQGGSA-N 1 1 283.419 3.008 20 30 CGEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(C)(C)c1ccc(C#N)cc1)C2 ZINC001169091172 807570552 /nfs/dbraw/zinc/57/05/52/807570552.db2.gz OPZAXCIJKCJJMM-BJWYYQGGSA-N 1 1 283.419 3.008 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001258725139 807573253 /nfs/dbraw/zinc/57/32/53/807573253.db2.gz IFRXDZCDAGRXGE-UONOGXRCSA-N 1 1 282.428 3.282 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC001258727611 807574656 /nfs/dbraw/zinc/57/46/56/807574656.db2.gz IEPXENKFAZFWHP-ZNMIVQPWSA-N 1 1 294.439 3.282 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@H]2c3ccccc3C(=O)[C@H]2C1 ZINC001258726802 807574978 /nfs/dbraw/zinc/57/49/78/807574978.db2.gz WWILOWDBAJHDBU-KCXAZCMYSA-N 1 1 255.361 3.253 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@]2(CCN2C(=O)OC(C)(C)C)C1 ZINC001258729928 807575857 /nfs/dbraw/zinc/57/58/57/807575857.db2.gz ZEARHZFRHQMVHB-WMLDXEAASA-N 1 1 294.439 3.426 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]2OCCC[C@]2(COCC=C)C1 ZINC001258729846 807576089 /nfs/dbraw/zinc/57/60/89/807576089.db2.gz ZCUDSSDVOLIQNH-OKZBNKHCSA-N 1 1 293.451 3.415 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001258729979 807576164 /nfs/dbraw/zinc/57/61/64/807576164.db2.gz ZZEFBZVBVUNSTG-SOUVJXGZSA-N 1 1 294.439 3.425 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@]2(CCC(=O)N2CC=C)CC1 ZINC001258728604 807576640 /nfs/dbraw/zinc/57/66/40/807576640.db2.gz PIUNQQQBFPNHHZ-SJLPKXTDSA-N 1 1 290.451 3.374 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@]2(CCN(CC3CC3)C2=O)C1 ZINC001258729504 807576727 /nfs/dbraw/zinc/57/67/27/807576727.db2.gz WDDABGMPTSPYFR-CRAIPNDOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(c2ncccc2C)CC1 ZINC001258730998 807577323 /nfs/dbraw/zinc/57/73/23/807577323.db2.gz SYTTYFTVTNBXRI-MRXNPFEDSA-N 1 1 273.424 3.257 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC001258730768 807577491 /nfs/dbraw/zinc/57/74/91/807577491.db2.gz NPTQTMRXRFCCOU-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1Cc2ccccc2[C@@H](C(=O)OC)C1 ZINC001258733615 807579208 /nfs/dbraw/zinc/57/92/08/807579208.db2.gz KAXJVVDBKGMVAK-CJNGLKHVSA-N 1 1 273.376 3.114 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC001258734459 807580546 /nfs/dbraw/zinc/58/05/46/807580546.db2.gz YILSGSFYAYVUHA-KGLIPLIRSA-N 1 1 267.413 3.395 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](Oc2cccc(OC)n2)C1 ZINC001258733978 807580915 /nfs/dbraw/zinc/58/09/15/807580915.db2.gz PPUDRQLKDGDPIF-HUUCEWRRSA-N 1 1 290.407 3.288 20 30 CGEDMO C=CCC[C@H](C)[N@H+](CCC(=O)OCC)[C@@H](CCC)COC ZINC001258733858 807580926 /nfs/dbraw/zinc/58/09/26/807580926.db2.gz NAGLHLYFRKYXKY-HOTGVXAUSA-N 1 1 299.455 3.411 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](Oc2ccncc2)C1 ZINC001258735739 807581793 /nfs/dbraw/zinc/58/17/93/807581793.db2.gz AQLUGPVCZOAMEQ-GDBMZVCRSA-N 1 1 260.381 3.280 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](Oc2ncccc2C)C1 ZINC001258736147 807581798 /nfs/dbraw/zinc/58/17/98/807581798.db2.gz MDRKUTFUYLXSTN-HUUCEWRRSA-N 1 1 260.381 3.198 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+]([C@@H]2CCc3c2cccc3F)C1 ZINC001261641091 807772586 /nfs/dbraw/zinc/77/25/86/807772586.db2.gz WFGSDELYFOKQMS-BLLLJJGKSA-N 1 1 258.340 3.439 20 30 CGEDMO C[C@@H]1C[C@@H](O)CC[N@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170388827 807833843 /nfs/dbraw/zinc/83/38/43/807833843.db2.gz GXUSJQKFEIGKFO-IZIZEDOESA-N 1 1 298.430 3.236 20 30 CGEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCOC3(CC3)C2)CC1 ZINC001170399073 807834173 /nfs/dbraw/zinc/83/41/73/807834173.db2.gz YDRPNFZFWIUFBH-UHFFFAOYSA-N 1 1 296.414 3.255 20 30 CGEDMO C[C@]1(O)CCC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170389646 807834270 /nfs/dbraw/zinc/83/42/70/807834270.db2.gz XFWHJAJRMJQLBP-XBMUEBEBSA-N 1 1 298.430 3.237 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+]([C@@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170716052 807882293 /nfs/dbraw/zinc/88/22/93/807882293.db2.gz OMROTSPKTDIHJD-CJNGLKHVSA-N 1 1 276.330 3.058 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+]([C@@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170716052 807882287 /nfs/dbraw/zinc/88/22/87/807882287.db2.gz OMROTSPKTDIHJD-CJNGLKHVSA-N 1 1 276.330 3.058 20 30 CGEDMO CC1(C)[C@@H]2C[C@@H]([N@H+]3CCc4ccc(C#N)cc4C3)C[C@@H]21 ZINC001170745836 807897079 /nfs/dbraw/zinc/89/70/79/807897079.db2.gz IIDMTLUMTWRIDZ-OSYLJGHBSA-N 1 1 266.388 3.351 20 30 CGEDMO C[N@@H+]1CCc2c(C#N)c(N=C3CCC(C#N)CC3)sc2C1 ZINC001212854413 815159551 /nfs/dbraw/zinc/15/95/51/815159551.db2.gz GCJCFDCIBHCMPM-NSHDSACASA-N 1 1 298.415 3.227 20 30 CGEDMO C[N@H+]1CCc2c(C#N)c(N=C3CCC(C#N)CC3)sc2C1 ZINC001212854413 815159553 /nfs/dbraw/zinc/15/95/53/815159553.db2.gz GCJCFDCIBHCMPM-NSHDSACASA-N 1 1 298.415 3.227 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+]([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170943094 807940329 /nfs/dbraw/zinc/94/03/29/807940329.db2.gz KSLHHNGZDSKPIB-BBRMVZONSA-N 1 1 274.795 3.433 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+]([C@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170943094 807940333 /nfs/dbraw/zinc/94/03/33/807940333.db2.gz KSLHHNGZDSKPIB-BBRMVZONSA-N 1 1 274.795 3.433 20 30 CGEDMO COCC#CC[N@@H+](C)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC001171170719 807999625 /nfs/dbraw/zinc/99/96/25/807999625.db2.gz RNCIWKDCGWICMY-MSOLQXFVSA-N 1 1 271.404 3.294 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)N1CCC([NH3+])(CC2CC2)CC1 ZINC001171195370 808006250 /nfs/dbraw/zinc/00/62/50/808006250.db2.gz RZANYXCHROXTNS-OAHLLOKOSA-N 1 1 297.446 3.083 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC001171199913 808008142 /nfs/dbraw/zinc/00/81/42/808008142.db2.gz IWRWVUMUAQXFFJ-ZDUSSCGKSA-N 1 1 282.428 3.282 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CC[C@H](N2CCCCC2)C1 ZINC001171221341 808011005 /nfs/dbraw/zinc/01/10/05/808011005.db2.gz KTTJOROBMTWZMA-APWZRJJASA-N 1 1 297.446 3.049 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@H](N2CCCCC2)C1 ZINC001171221341 808011014 /nfs/dbraw/zinc/01/10/14/808011014.db2.gz KTTJOROBMTWZMA-APWZRJJASA-N 1 1 297.446 3.049 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@H]1c1cnccn1 ZINC001171220856 808011037 /nfs/dbraw/zinc/01/10/37/808011037.db2.gz FADMIOYHVGLFLL-KSSFIOAISA-N 1 1 292.386 3.116 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H](C(F)F)C1 ZINC001171224332 808012729 /nfs/dbraw/zinc/01/27/29/808012729.db2.gz QOCPCVNEBJPTIR-IUODEOHRSA-N 1 1 278.346 3.466 20 30 CGEDMO Cc1ncccc1C[N@H+](C)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171229784 808014041 /nfs/dbraw/zinc/01/40/41/808014041.db2.gz QRJMSFLCFJJPBI-AWEZNQCLSA-N 1 1 279.387 3.325 20 30 CGEDMO C=CCCC(=O)N[C@@H]1[C@@H]2CCC[N@H+](CC(C)C)[C@H]2C1(C)C ZINC001264030224 808029707 /nfs/dbraw/zinc/02/97/07/808029707.db2.gz PHUDYROMYYWONU-USXIJHARSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1C[C@@H]2C[N@H+](CC(C)C)CC[C@@H]2C1 ZINC001264094313 808035528 /nfs/dbraw/zinc/03/55/28/808035528.db2.gz CXQDWIGESIMQJA-BBWFWOEESA-N 1 1 292.467 3.025 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001171387438 808042937 /nfs/dbraw/zinc/04/29/37/808042937.db2.gz HIVCMGKRQBMVGE-WFASDCNBSA-N 1 1 275.342 3.167 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)CCC(C)C)CC(C)(C)C1 ZINC001264191832 808046114 /nfs/dbraw/zinc/04/61/14/808046114.db2.gz ZNZGWHVIJVYKSS-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@H+](CC)CC(C)(C)C1 ZINC001264195231 808048038 /nfs/dbraw/zinc/04/80/38/808048038.db2.gz OPCZIXMJVQHXLG-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@@H+](CC2=CCCCC2)[C@@H]1C ZINC001264693398 808085858 /nfs/dbraw/zinc/08/58/58/808085858.db2.gz KIKOLZNAVGKWIF-ZBFHGGJFSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCNC(=O)C[C@@H]1CC[C@@H](C)C1 ZINC001265022753 808103033 /nfs/dbraw/zinc/10/30/33/808103033.db2.gz KCBDUSDKLTWELA-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)c1ccc(C)cc1 ZINC001265062719 808107819 /nfs/dbraw/zinc/10/78/19/808107819.db2.gz VNTUDGTVTKKKGR-INIZCTEOSA-N 1 1 288.435 3.401 20 30 CGEDMO C=CC[N@@H+](CC)CCCNC(=O)c1ccc(C)cc1Cl ZINC001265134498 808112910 /nfs/dbraw/zinc/11/29/10/808112910.db2.gz WMTXUAAPUPBMON-UHFFFAOYSA-N 1 1 294.826 3.276 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)C(=C)C)C1 ZINC001265220160 808121138 /nfs/dbraw/zinc/12/11/38/808121138.db2.gz HRIQUJDKNVVEJI-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C#CC[N@@H+](CCC1CCCCCC1)C1CSC1 ZINC001171867355 808150244 /nfs/dbraw/zinc/15/02/44/808150244.db2.gz CCRBPDVMFRGDTP-UHFFFAOYSA-N 1 1 251.439 3.398 20 30 CGEDMO C=CC[N@H+](C)C1CCC(C(=O)OC(C)(C)C)CC1 ZINC001171928389 808155415 /nfs/dbraw/zinc/15/54/15/808155415.db2.gz DSJYJRAIAPNUQA-UHFFFAOYSA-N 1 1 253.386 3.005 20 30 CGEDMO CCCCCC[N@H+]1CCC[C@H](CNC(=O)C#CC(C)C)C1 ZINC001265581842 808157278 /nfs/dbraw/zinc/15/72/78/808157278.db2.gz GZKJRJLSTZTVHQ-QGZVFWFLSA-N 1 1 292.467 3.054 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)C(CC)CC)C1 ZINC001265586976 808158881 /nfs/dbraw/zinc/15/88/81/808158881.db2.gz SLEOJWKAHOHWGA-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO CC(C)(C#N)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172060390 808168941 /nfs/dbraw/zinc/16/89/41/808168941.db2.gz ADFYIQLMOJADNL-NNZMDNLPSA-N 1 1 297.446 3.464 20 30 CGEDMO N#CC1(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172061166 808169137 /nfs/dbraw/zinc/16/91/37/808169137.db2.gz FVZSZRJEASSWQP-NNZMDNLPSA-N 1 1 295.430 3.218 20 30 CGEDMO C#CCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172077179 808170071 /nfs/dbraw/zinc/17/00/71/808170071.db2.gz PJIWEODWYBCZDP-LDLYASANSA-N 1 1 282.431 3.185 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CC2CCCC2)C1 ZINC001265697620 808170942 /nfs/dbraw/zinc/17/09/42/808170942.db2.gz VAMMXLPXPWWPEN-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)CC2CCCC2)C1 ZINC001266090390 808209160 /nfs/dbraw/zinc/20/91/60/808209160.db2.gz JQPREMJRNRMOST-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)c2ccco2)C1 ZINC001266090386 808209706 /nfs/dbraw/zinc/20/97/06/808209706.db2.gz JQBMUQFUDBIBEQ-CABCVRRESA-N 1 1 290.407 3.171 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001266093898 808210348 /nfs/dbraw/zinc/21/03/48/808210348.db2.gz MVDOXYXFZBJZBB-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)C2(CC=C)CCC2)C1 ZINC001266110291 808213151 /nfs/dbraw/zinc/21/31/51/808213151.db2.gz FCXIETRSCUTLSY-INIZCTEOSA-N 1 1 290.451 3.232 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1CCN(C2CCC2)CC1 ZINC001172301878 808220926 /nfs/dbraw/zinc/22/09/26/808220926.db2.gz YUOASXZAAZTCHU-OAHLLOKOSA-N 1 1 297.446 3.096 20 30 CGEDMO CCCCCN1CC[NH+]([C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172306449 808221711 /nfs/dbraw/zinc/22/17/11/808221711.db2.gz KDFCWSZHCXOOIM-KRWDZBQOSA-N 1 1 299.462 3.297 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@]2(C1)CCCCO2 ZINC001172314977 808225270 /nfs/dbraw/zinc/22/52/70/808225270.db2.gz MYKNYTLXVWBMNK-MAUKXSAKSA-N 1 1 284.403 3.134 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)C(C)=C2CCC2)C1 ZINC001266316327 808241107 /nfs/dbraw/zinc/24/11/07/808241107.db2.gz AVBWNIRYAYFOEP-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO CC[C@H](C)OCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001172345003 808243969 /nfs/dbraw/zinc/24/39/69/808243969.db2.gz BKXPFNXIAPWKHA-JKJDWNRSSA-N 1 1 264.413 3.347 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001266343883 808245159 /nfs/dbraw/zinc/24/51/59/808245159.db2.gz AMIFIZJDJZTCFF-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CCN2CCOC[C@@H]2C1 ZINC001172357911 808252506 /nfs/dbraw/zinc/25/25/06/808252506.db2.gz MUEBPACIBUCBMS-SJORKVTESA-N 1 1 282.472 3.142 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CCO[C@H](C(C)=O)C1 ZINC001172360042 808255047 /nfs/dbraw/zinc/25/50/47/808255047.db2.gz IECIGPRSOVMCHF-CVEARBPZSA-N 1 1 269.429 3.415 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@H](NC(C)=O)C1 ZINC001172362548 808256306 /nfs/dbraw/zinc/25/63/06/808256306.db2.gz ZRSRJLNJMMTCRN-HOTGVXAUSA-N 1 1 268.445 3.336 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CC[C@@H](NC(C)=O)C1 ZINC001172362550 808256991 /nfs/dbraw/zinc/25/69/91/808256991.db2.gz ZRSRJLNJMMTCRN-HZPDHXFCSA-N 1 1 268.445 3.336 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)c1ccc(C)cc1 ZINC001266432109 808263024 /nfs/dbraw/zinc/26/30/24/808263024.db2.gz ROMIUTWTEIDKTE-INIZCTEOSA-N 1 1 288.435 3.401 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1C ZINC001266442569 808266115 /nfs/dbraw/zinc/26/61/15/808266115.db2.gz FVEOBUMMNWYPOU-INIZCTEOSA-N 1 1 286.419 3.155 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[C@@H](C[N@H+](C)CCC)C1 ZINC001266466209 808270792 /nfs/dbraw/zinc/27/07/92/808270792.db2.gz KUTQFKISNCBYSJ-CVEARBPZSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+]1CC=C(C)C ZINC001266482689 808274526 /nfs/dbraw/zinc/27/45/26/808274526.db2.gz HCBNDUWUSKKDTM-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C=C ZINC001266491071 808275849 /nfs/dbraw/zinc/27/58/49/808275849.db2.gz BWYTZUFPKGEFMF-OAGGEKHMSA-N 1 1 290.451 3.229 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H](C)CC ZINC001266839459 808321522 /nfs/dbraw/zinc/32/15/22/808321522.db2.gz BAKWSADSIOQMAB-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO C[C@@H](CCCC#N)n1cc(C(=O)C[NH3+])c2ccccc21 ZINC001172483515 808346530 /nfs/dbraw/zinc/34/65/30/808346530.db2.gz ROOFIJQQXASJHV-LBPRGKRZSA-N 1 1 269.348 3.038 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCOC2(CCCCC2)C1 ZINC001172497395 808353395 /nfs/dbraw/zinc/35/33/95/808353395.db2.gz BLQHFWOUWZGJNT-CQSZACIVSA-N 1 1 250.386 3.104 20 30 CGEDMO C[C@H](CCCC#N)[N@@H+]1CCn2c(-c3ccccc3)cnc2C1 ZINC001172498181 808354968 /nfs/dbraw/zinc/35/49/68/808354968.db2.gz JKTFLEZMRIDXSN-OAHLLOKOSA-N 1 1 294.402 3.448 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCn2c(-c3ccccc3)cnc2C1 ZINC001172498181 808354974 /nfs/dbraw/zinc/35/49/74/808354974.db2.gz JKTFLEZMRIDXSN-OAHLLOKOSA-N 1 1 294.402 3.448 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@@H](C)SC)C1 ZINC001267103096 808356994 /nfs/dbraw/zinc/35/69/94/808356994.db2.gz SDDSQJJIMYEXFJ-HUUCEWRRSA-N 1 1 298.496 3.017 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)/C(C)=C/CC)C1 ZINC001267102283 808358560 /nfs/dbraw/zinc/35/85/60/808358560.db2.gz ZJFGFSBBGWPIOU-WPBGYSLVSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)CCC2(C)CC2)C1 ZINC001267113605 808361631 /nfs/dbraw/zinc/36/16/31/808361631.db2.gz OJUNGAKKSRSHJI-CQSZACIVSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)CCC2(C)CC2)C1 ZINC001267113605 808361637 /nfs/dbraw/zinc/36/16/37/808361637.db2.gz OJUNGAKKSRSHJI-CQSZACIVSA-N 1 1 298.858 3.242 20 30 CGEDMO CCCCCCC[C@H](CCC)[N@H+]1CCO[C@@H](CO)C1 ZINC001172507865 808364684 /nfs/dbraw/zinc/36/46/84/808364684.db2.gz BZZJMHHPEHSJQS-JKSUJKDBSA-N 1 1 271.445 3.209 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]1CCCNC(=O)CC(C)C ZINC001267158856 808370358 /nfs/dbraw/zinc/37/03/58/808370358.db2.gz UBMZKEPXEGMXED-MRXNPFEDSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)/C(C)=C/CC ZINC001267161450 808372139 /nfs/dbraw/zinc/37/21/39/808372139.db2.gz SFZIKJLGMYZSFJ-AHQMPEJBSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCC(C)(C)C(=O)NCC[N@H+](C)Cc1cccc(C)c1 ZINC001267219723 808382833 /nfs/dbraw/zinc/38/28/33/808382833.db2.gz YUNZWJBRYUNQNJ-UHFFFAOYSA-N 1 1 288.435 3.145 20 30 CGEDMO C=CCCCC(=O)NCC[N@H+](C)[C@H](C)c1cccc(F)c1 ZINC001267214409 808384286 /nfs/dbraw/zinc/38/42/86/808384286.db2.gz WURIUCPLLKEOJS-CQSZACIVSA-N 1 1 292.398 3.291 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)C=C1CCCCC1 ZINC001267238215 808389972 /nfs/dbraw/zinc/38/99/72/808389972.db2.gz JTQLBXPFERZDLE-UHFFFAOYSA-N 1 1 278.440 3.281 20 30 CGEDMO C=CCCC[N@H+](CC)CCNC(=O)c1cc(C)cc(C)c1 ZINC001267255309 808397651 /nfs/dbraw/zinc/39/76/51/808397651.db2.gz WJMIYXSHDFFRHJ-UHFFFAOYSA-N 1 1 288.435 3.321 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H]1CCC[N@H+]1CC1=CCCCC1 ZINC001267270687 808401752 /nfs/dbraw/zinc/40/17/52/808401752.db2.gz VSRJBUKZXQTPRT-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](CCCCC)C(C)C ZINC001267279430 808402894 /nfs/dbraw/zinc/40/28/94/808402894.db2.gz FHWOGYCUHOIPSW-SJORKVTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1CCC[N@@H+]1C[C@H](C)CC ZINC001267272112 808402946 /nfs/dbraw/zinc/40/29/46/808402946.db2.gz IRFHNUUKPZKECK-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001267305837 808408556 /nfs/dbraw/zinc/40/85/56/808408556.db2.gz CVZZVHLOOGUYTL-LSDHHAIUSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CC[N@H+]1CC[C@H](CNC(=O)CC2(C=C)CCCCC2)C1 ZINC001267305660 808408760 /nfs/dbraw/zinc/40/87/60/808408760.db2.gz SNZDGMFNMIYHNB-MRXNPFEDSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(Cl)C[N@H+](CCCNC(=O)[C@@]1(C)C=CCC1)C(C)C ZINC001267308184 808410968 /nfs/dbraw/zinc/41/09/68/808410968.db2.gz PAKBCIACCREXJU-INIZCTEOSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)[C@H]1CC2CCC1CC2 ZINC001267320678 808413886 /nfs/dbraw/zinc/41/38/86/808413886.db2.gz RTTIJCRCGZBIML-JCYILVPMSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@H+](CCNC(=O)[C@@H](C)C1CCCC1)C1CC1 ZINC001267336314 808417501 /nfs/dbraw/zinc/41/75/01/808417501.db2.gz MLBSGVFCJMBNED-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCCCCC[N@@H+](C)C1CCN(C(=O)OC)CC1 ZINC001172738622 808424636 /nfs/dbraw/zinc/42/46/36/808424636.db2.gz OYHMEVDBFOGYCG-UHFFFAOYSA-N 1 1 270.417 3.119 20 30 CGEDMO C=C1CC(C)(C(=O)NCCC[N@H+](CC(C)C)C(C)C)C1 ZINC001267509544 808436085 /nfs/dbraw/zinc/43/60/85/808436085.db2.gz WICJZXXADBIUJQ-UHFFFAOYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)C(CC)CC)C1 ZINC001267507952 808437079 /nfs/dbraw/zinc/43/70/79/808437079.db2.gz HIPAXNRSVIHIJZ-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO C#CCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCCC ZINC001267529395 808440010 /nfs/dbraw/zinc/44/00/10/808440010.db2.gz KSNDRHQYIGCXIL-CALCHBBNSA-N 1 1 290.451 3.045 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](CCNC(=O)[C@@]2(C)C=CCC2)C1 ZINC001267564217 808447164 /nfs/dbraw/zinc/44/71/64/808447164.db2.gz OAYSWZLWBCMUAA-WMZOPIPTSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@H]1CCN(C(=O)CC(C)C)C1 ZINC001267576915 808451165 /nfs/dbraw/zinc/45/11/65/808451165.db2.gz BJFIRXWZOCMSGP-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)C2(CC)CC2)C1 ZINC001267588710 808452750 /nfs/dbraw/zinc/45/27/50/808452750.db2.gz IMCKXRKDMZHCMP-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO Cc1ccc2c(c1)C[C@@H]([N@H+]1CC[C@](C)(C#N)C1)CC2 ZINC001172837995 808453481 /nfs/dbraw/zinc/45/34/81/808453481.db2.gz KGZYCCHZFPCWPQ-DLBZAZTESA-N 1 1 254.377 3.088 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](CCC)C(C)C)C1 ZINC001267589266 808453546 /nfs/dbraw/zinc/45/35/46/808453546.db2.gz IJZWBWZYEGTZPA-IAGOWNOFSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCCC[N@H+](C)CC1CCN(C(=O)C=C2CCC2)CC1 ZINC001267598944 808455810 /nfs/dbraw/zinc/45/58/10/808455810.db2.gz WMLRJDXTXYIAOU-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)CCC)C1 ZINC001267617912 808458616 /nfs/dbraw/zinc/45/86/16/808458616.db2.gz VDTAOIJSYJOWHK-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CCC(C)C)C1 ZINC001267617133 808458660 /nfs/dbraw/zinc/45/86/60/808458660.db2.gz FVMZXPSABLJTJD-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCCCC[NH+]1CC(NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001267650411 808463813 /nfs/dbraw/zinc/46/38/13/808463813.db2.gz MMWLGHGWKANJJX-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC[NH+]1CC(NC(=O)c2oc3ccccc3c2C)C1 ZINC001267669484 808467216 /nfs/dbraw/zinc/46/72/16/808467216.db2.gz ZKCNVMHDPNMJDV-UHFFFAOYSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)CCCC(C)C)C1 ZINC001267689055 808471426 /nfs/dbraw/zinc/47/14/26/808471426.db2.gz AMACKEOUDHHNMW-INIZCTEOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001267701946 808473145 /nfs/dbraw/zinc/47/31/45/808473145.db2.gz BIZOYHIHCNBZQT-CVEARBPZSA-N 1 1 294.483 3.415 20 30 CGEDMO C[C@]1(C#N)CC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172911457 808476160 /nfs/dbraw/zinc/47/61/60/808476160.db2.gz CHJMZPRVNOLWEN-DOTOQJQBSA-N 1 1 299.374 3.078 20 30 CGEDMO C=CCC[N@H+](C)CC1CCN(C(=O)C[C@@H](C)CC)CC1 ZINC001267724898 808478962 /nfs/dbraw/zinc/47/89/62/808478962.db2.gz PYPJSEOWMKRJDN-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[N@H+](C)CC1CCN(C(=O)[C@]2(C)CCC[C@H]2C)CC1 ZINC001267745769 808483372 /nfs/dbraw/zinc/48/33/72/808483372.db2.gz FGCLXSONFZDSCM-CRAIPNDOSA-N 1 1 292.467 3.169 20 30 CGEDMO CO[C@H]1CCC[C@H]([N@@H+](CCC#N)Cc2ccccc2)C1 ZINC001172931953 808486850 /nfs/dbraw/zinc/48/68/50/808486850.db2.gz MFZRILCDMCDRNH-IRXDYDNUSA-N 1 1 272.392 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)C2CC2)C1 ZINC001267770750 808488153 /nfs/dbraw/zinc/48/81/53/808488153.db2.gz QWJWRBCQWITASQ-ZBFHGGJFSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)C[C@H]2CC=CCC2)C1 ZINC001267792088 808494446 /nfs/dbraw/zinc/49/44/46/808494446.db2.gz SUDBVYHGNIOCEP-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)CCCC)C1 ZINC001267931386 808516169 /nfs/dbraw/zinc/51/61/69/808516169.db2.gz SVHWQXLKVZZCCV-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@H+]([C@H]1COc2cccc(OC)c2C1)C(C)(C)C ZINC001173167589 808529090 /nfs/dbraw/zinc/52/90/90/808529090.db2.gz HLYGRNXAQIHDNM-CYBMUJFWSA-N 1 1 275.392 3.285 20 30 CGEDMO C=CCCC(=O)N(C)CC[N@H+](C)Cc1ccc(CC)cc1 ZINC001268231429 808563952 /nfs/dbraw/zinc/56/39/52/808563952.db2.gz CGWRLLIKHIBZEJ-UHFFFAOYSA-N 1 1 288.435 3.105 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2CN(C(=O)C=C(CC)CC)CC[C@H]21 ZINC001268261415 808571899 /nfs/dbraw/zinc/57/18/99/808571899.db2.gz DDZANIQVKHKUIG-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC[NH+]1CC(NC(=O)c2ccc(C3CCC3)cc2)C1 ZINC001268318026 808577093 /nfs/dbraw/zinc/57/70/93/808577093.db2.gz NUPLLXBOKWGHQS-UHFFFAOYSA-N 1 1 298.430 3.334 20 30 CGEDMO C=CCCCCC[NH+]1CC(NC(=O)C(C)(C)C(=C)C)C1 ZINC001268433257 808586098 /nfs/dbraw/zinc/58/60/98/808586098.db2.gz NODGAAWRYFPQKY-UHFFFAOYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCCCC[NH+]1CC(NC(=O)[C@H]2C[C@@]2(C)C(C)C)C1 ZINC001268467466 808591121 /nfs/dbraw/zinc/59/11/21/808591121.db2.gz UQESQGIOABGSPC-AEFFLSMTSA-N 1 1 292.467 3.215 20 30 CGEDMO CCCCCCCC[C@H](CCC)n1nnc(C[NH3+])n1 ZINC001173310684 808606259 /nfs/dbraw/zinc/60/62/59/808606259.db2.gz XVBAIQXFWJMDFW-ZDUSSCGKSA-N 1 1 267.421 3.224 20 30 CGEDMO C=CCOC1CCC([N@@H+]2CCCC[C@H]2COC)CC1 ZINC001173320293 808611099 /nfs/dbraw/zinc/61/10/99/808611099.db2.gz FDDULABFKCEDKZ-PCKAHOCUSA-N 1 1 267.413 3.001 20 30 CGEDMO C=CCOC1CCC([N@H+]2CC[C@@H]3CCCO[C@H]3C2)CC1 ZINC001173321624 808611872 /nfs/dbraw/zinc/61/18/72/808611872.db2.gz NMJCOJGHFZSUER-OTBWCIGPSA-N 1 1 279.424 3.001 20 30 CGEDMO CCOC(=O)[C@H](CC(C)C)[NH2+]C1CCC(CC#N)CC1 ZINC001173325475 808612476 /nfs/dbraw/zinc/61/24/76/808612476.db2.gz JPPLYOBWCOQYTH-NRXISQOPSA-N 1 1 280.412 3.026 20 30 CGEDMO C=CCOC1CCC(N2CCC([NH+](CC)CC)CC2)CC1 ZINC001173327168 808612437 /nfs/dbraw/zinc/61/24/37/808612437.db2.gz HWEFRWVYJAVYPB-UHFFFAOYSA-N 1 1 294.483 3.306 20 30 CGEDMO C=CCOC1CCC([N@@H+](CC#N)CCCC)CC1 ZINC001173326662 808612758 /nfs/dbraw/zinc/61/27/58/808612758.db2.gz MIDNFTFEVDPUOU-UHFFFAOYSA-N 1 1 250.386 3.126 20 30 CGEDMO C=CCOC1CCC([N@H+](CC#N)CCCC)CC1 ZINC001173326662 808612760 /nfs/dbraw/zinc/61/27/60/808612760.db2.gz MIDNFTFEVDPUOU-UHFFFAOYSA-N 1 1 250.386 3.126 20 30 CGEDMO N#CCC1CCC([N@@H+]2CCc3cc(CO)ccc3C2)CC1 ZINC001173332339 808616123 /nfs/dbraw/zinc/61/61/23/808616123.db2.gz ZMMGRADVPLCSEM-UHFFFAOYSA-N 1 1 284.403 3.009 20 30 CGEDMO CO[C@@H]1CCC[C@@H]2C[N@H+](C3CCC(CC#N)CC3)C[C@@H]21 ZINC001173335047 808616970 /nfs/dbraw/zinc/61/69/70/808616970.db2.gz DAIRBATYNKKCGJ-QTPCEWDRSA-N 1 1 276.424 3.206 20 30 CGEDMO C=CC[N@H+](C)C[C@@H](C)NC(=O)CCCCC(C)(C)C ZINC001268731538 808617953 /nfs/dbraw/zinc/61/79/53/808617953.db2.gz OCWKFENONQBHAN-CQSZACIVSA-N 1 1 268.445 3.215 20 30 CGEDMO COC(=O)CCCC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001173456081 808640799 /nfs/dbraw/zinc/64/07/99/808640799.db2.gz YZSVGWJYFAJBIJ-CQSZACIVSA-N 1 1 288.391 3.112 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)C1CCC(C)(C#N)CC1 ZINC001173596529 808649644 /nfs/dbraw/zinc/64/96/44/808649644.db2.gz ZRQLKNMSOIVWIW-UHFFFAOYSA-N 1 1 267.376 3.463 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CC[C@H](Oc3cccnc3)C2)CC1 ZINC001173596518 808649921 /nfs/dbraw/zinc/64/99/21/808649921.db2.gz ZGSTZVXYKLSKRF-WIHSUSGWSA-N 1 1 285.391 3.007 20 30 CGEDMO CC[N@@H+](Cc1ccccn1)C1CCC(C)(C#N)CC1 ZINC001173599764 808651203 /nfs/dbraw/zinc/65/12/03/808651203.db2.gz QQFWVAPQHBDYMP-UHFFFAOYSA-N 1 1 257.381 3.376 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CCc3cnc(C4CC4)nc3C2)CC1 ZINC001173597031 808651247 /nfs/dbraw/zinc/65/12/47/808651247.db2.gz KAHNUOCWVONWIU-UHFFFAOYSA-N 1 1 296.418 3.185 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]1CNC(=O)C1CCCC1 ZINC001269189604 808653441 /nfs/dbraw/zinc/65/34/41/808653441.db2.gz VXOLRWLQWKQCCD-MRXNPFEDSA-N 1 1 280.456 3.338 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N(C)[C@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001269268225 808661683 /nfs/dbraw/zinc/66/16/83/808661683.db2.gz JHYKIJCHJIIMLH-HOTGVXAUSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)c2ccoc2)C1 ZINC001269307827 808667636 /nfs/dbraw/zinc/66/76/36/808667636.db2.gz XUKQSNATIBUQPB-GDBMZVCRSA-N 1 1 290.407 3.171 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](N(CC)C(=O)c2ccoc2)C1 ZINC001269307829 808667688 /nfs/dbraw/zinc/66/76/88/808667688.db2.gz XUKQSNATIBUQPB-HOCLYGCPSA-N 1 1 290.407 3.171 20 30 CGEDMO C=CCCCC(=O)N1CC[C@]2(C1)CCC[N@H+](CCC)C2 ZINC001269691727 808697987 /nfs/dbraw/zinc/69/79/87/808697987.db2.gz GKMKOWJORXYXML-QGZVFWFLSA-N 1 1 278.440 3.067 20 30 CGEDMO C=C1CC(C)(C(=O)N(C)C2C[NH+](CCCCCC)C2)C1 ZINC001269843145 808706496 /nfs/dbraw/zinc/70/64/96/808706496.db2.gz JMAGTOHCQRGFSM-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)C ZINC001270483425 808732198 /nfs/dbraw/zinc/73/21/98/808732198.db2.gz BOJPDZFLBMVEQT-SJORKVTESA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@@H+]1CCC[C@](C)(CNC(=O)C(C)(CC)CC)C1 ZINC001271016462 808758816 /nfs/dbraw/zinc/75/88/16/808758816.db2.gz GTTHCLYJBYDMOT-MRXNPFEDSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)C[C@@H](C)C2CC2)C1 ZINC001271017067 808759077 /nfs/dbraw/zinc/75/90/77/808759077.db2.gz KZSZYBUNDRVVQX-CRAIPNDOSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1(CCC)CCC1 ZINC001272031886 808793688 /nfs/dbraw/zinc/79/36/88/808793688.db2.gz AVQOUHFNIQKUCA-HOTGVXAUSA-N 1 1 290.451 3.208 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCCCCC ZINC001272045147 808794439 /nfs/dbraw/zinc/79/44/39/808794439.db2.gz UGKOIGMHBJPLBD-IRXDYDNUSA-N 1 1 290.451 3.045 20 30 CGEDMO C=CC[N@H+](C)CCN(C)C(=O)C[C@H](CC)c1ccccc1 ZINC001272151853 808799404 /nfs/dbraw/zinc/79/94/04/808799404.db2.gz FXBWZBNMKMXIPU-INIZCTEOSA-N 1 1 288.435 3.147 20 30 CGEDMO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2ccccc2C)C1=O ZINC001272639758 808818304 /nfs/dbraw/zinc/81/83/04/808818304.db2.gz WVZQOJKFSXZPOE-IBGZPJMESA-N 1 1 298.430 3.138 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CCC[C@]12CCN(C)C2=O ZINC001272711159 808823162 /nfs/dbraw/zinc/82/31/62/808823162.db2.gz BJXACMNQWLPFCZ-QGZVFWFLSA-N 1 1 278.440 3.210 20 30 CGEDMO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccc(C)cc1 ZINC001272971696 808828945 /nfs/dbraw/zinc/82/89/45/808828945.db2.gz KKJAWIBAIMQDKN-QZTJIDSGSA-N 1 1 298.430 3.136 20 30 CGEDMO COc1cc(C#N)ccc1Nc1cc[nH+]c2ccccc12 ZINC001174038157 808834947 /nfs/dbraw/zinc/83/49/47/808834947.db2.gz HAKMTEXRSLCJSK-UHFFFAOYSA-N 1 1 275.311 3.281 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)C[C@H](CC)C(C)C)CC1 ZINC001273464355 808847152 /nfs/dbraw/zinc/84/71/52/808847152.db2.gz BPTFCULNHWPCDX-IRXDYDNUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@H+](C)CCCN(C)C(=O)[C@@H](C)C(C)(C)C ZINC001273529991 808852691 /nfs/dbraw/zinc/85/26/91/808852691.db2.gz MCNGRASFEXNOIV-OAHLLOKOSA-N 1 1 282.472 3.415 20 30 CGEDMO C=CCC1(C(=O)N(C)CCC[N@H+](C)CC(=C)Cl)CCC1 ZINC001273561348 808855015 /nfs/dbraw/zinc/85/50/15/808855015.db2.gz WUNJYHCLPHIAJT-UHFFFAOYSA-N 1 1 298.858 3.266 20 30 CGEDMO C=CCC1(C(=O)N(C)CCC[N@@H+](C)CC(=C)Cl)CCC1 ZINC001273561348 808855020 /nfs/dbraw/zinc/85/50/20/808855020.db2.gz WUNJYHCLPHIAJT-UHFFFAOYSA-N 1 1 298.858 3.266 20 30 CGEDMO C=C(C)CN1CC[C@]2(CCC[N@@H+](CCCCF)CC2)C1=O ZINC001273754579 808860025 /nfs/dbraw/zinc/86/00/25/808860025.db2.gz AGGPBKFXERALTG-QGZVFWFLSA-N 1 1 296.430 3.017 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2(CC)CC2)C[C@@H]1C ZINC001274646529 808881453 /nfs/dbraw/zinc/88/14/53/808881453.db2.gz YLUOSIHYFIBUEZ-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)/C(C)=C/CC ZINC001275094725 808907511 /nfs/dbraw/zinc/90/75/11/808907511.db2.gz SJLXDHZFNJWDTF-AHQMPEJBSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC(C)(C)C1 ZINC001275144342 808916013 /nfs/dbraw/zinc/91/60/13/808916013.db2.gz YAHSPYMUVQQYGR-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO N#Cc1cc(F)c(Nc2ccc3[nH+]ccn3c2)c(F)c1 ZINC001174278810 808926511 /nfs/dbraw/zinc/92/65/11/808926511.db2.gz JEVFRPYHAKEFCM-UHFFFAOYSA-N 1 1 270.242 3.228 20 30 CGEDMO C[NH2+][C@@]12CC[C@@](NCc3ccc(C)c(C#N)c3)(C1)CCC2 ZINC001275373356 808933428 /nfs/dbraw/zinc/93/34/28/808933428.db2.gz FGFRVIROQBRJRJ-ZWKOTPCHSA-N 1 1 283.419 3.021 20 30 CGEDMO C=CCCC(=O)N[C@H](C)C[N@H+](C)Cc1ccc(CC)cc1 ZINC001275520849 808944100 /nfs/dbraw/zinc/94/41/00/808944100.db2.gz JUPXGSPTEFPVSE-OAHLLOKOSA-N 1 1 288.435 3.152 20 30 CGEDMO CC(C)(C)c1cc([NH+]=C(NO)c2ccccc2N)ccn1 ZINC001213168457 815249761 /nfs/dbraw/zinc/24/97/61/815249761.db2.gz IGWOVTUDHJKAIO-UHFFFAOYSA-N 1 1 284.363 3.018 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)C1CCCC1 ZINC001275697643 808959001 /nfs/dbraw/zinc/95/90/01/808959001.db2.gz LPXPHXUUBDYLNE-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)c1ccc2[nH]ccc2c1 ZINC001275913451 808975062 /nfs/dbraw/zinc/97/50/62/808975062.db2.gz RODWCEFGAZVNOF-AWEZNQCLSA-N 1 1 299.418 3.184 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H](F)CC1CCCCC1 ZINC001275976341 808980324 /nfs/dbraw/zinc/98/03/24/808980324.db2.gz CCZFCBRPYKSRPI-ZBFHGGJFSA-N 1 1 298.446 3.308 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@]1(C)CC=C(C)CC1 ZINC001276001108 808983870 /nfs/dbraw/zinc/98/38/70/808983870.db2.gz DMCDESJUVBXQLB-DOTOQJQBSA-N 1 1 278.440 3.136 20 30 CGEDMO CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)CCC ZINC001276319613 809001556 /nfs/dbraw/zinc/00/15/56/809001556.db2.gz MFPOFRUACHHWPK-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C1(C)CC(=C)C1 ZINC001276319545 809002100 /nfs/dbraw/zinc/00/21/00/809002100.db2.gz LIXGMLLBTGNXGD-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)C1CCC1 ZINC001276311585 809002143 /nfs/dbraw/zinc/00/21/43/809002143.db2.gz MVIPBVKMVOBMFL-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)/C=C/C(C)(C)C)C(C)(C)C1 ZINC001276569581 809016440 /nfs/dbraw/zinc/01/64/40/809016440.db2.gz ILBDHMLOEKYUMT-TUPIDYKKSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H](NC(=O)C(C)(C)F)C(C)(C)C1 ZINC001276555308 809016454 /nfs/dbraw/zinc/01/64/54/809016454.db2.gz NDCSLYCSGGMFJH-AWEZNQCLSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)C(F)=C1CCCC1 ZINC001276833827 809035546 /nfs/dbraw/zinc/03/55/46/809035546.db2.gz GOZHEINWIOXJSP-ZFWWWQNUSA-N 1 1 294.414 3.329 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]1CNC(=O)c1coc(C)c1 ZINC001276833024 809036147 /nfs/dbraw/zinc/03/61/47/809036147.db2.gz BESPVBCBEPGBDR-INIZCTEOSA-N 1 1 292.423 3.363 20 30 CGEDMO C=CCCCC(=O)N1CC2(C1)CCC[N@H+](C/C=C/Cl)C2 ZINC001276879299 809039673 /nfs/dbraw/zinc/03/96/73/809039673.db2.gz YVFBYBVRMWPHCT-RMKNXTFCSA-N 1 1 296.842 3.020 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H]1CC[N@H+]1CCC1=CCCCC1 ZINC001276900198 809042107 /nfs/dbraw/zinc/04/21/07/809042107.db2.gz QSTKXWPZVBCTOE-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)C1CC2(CCC2)C1 ZINC001276909175 809043163 /nfs/dbraw/zinc/04/31/63/809043163.db2.gz OHOLOAHZCSTEJK-HOCLYGCPSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CC[N@@H+]2CCC(C)C)CCCC1 ZINC001276986201 809051679 /nfs/dbraw/zinc/05/16/79/809051679.db2.gz SKHUEOOSOZEHKN-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)[C@H]2CC[C@H](C)CC2)CC1 ZINC001277440814 809075065 /nfs/dbraw/zinc/07/50/65/809075065.db2.gz FRDWADLUVZEMDY-WKILWMFISA-N 1 1 292.467 3.312 20 30 CGEDMO C#CC[N@H+](C)C1CCN(C(=O)[C@@H](C)CCCCCC)CC1 ZINC001277435290 809075406 /nfs/dbraw/zinc/07/54/06/809075406.db2.gz KYGKDJHAERBLKF-INIZCTEOSA-N 1 1 292.467 3.149 20 30 CGEDMO CC#CCCCC(=O)N(C)C1C[NH+](CC/C=C\CCC)C1 ZINC001277644122 809086047 /nfs/dbraw/zinc/08/60/47/809086047.db2.gz KELIPWYJCHHCET-NTMALXAHSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CCCCC[N@H+]1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)NC(C)(C)C ZINC001277788634 809095344 /nfs/dbraw/zinc/09/53/44/809095344.db2.gz MCTBOQGBIYZDEN-MUJYYYPQSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)CC2=CCCCC2)C1 ZINC001278369365 809128864 /nfs/dbraw/zinc/12/88/64/809128864.db2.gz QVHYJSZKUJSPOF-MRXNPFEDSA-N 1 1 296.842 3.210 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)CC2=CCCCC2)C1 ZINC001278369365 809128868 /nfs/dbraw/zinc/12/88/68/809128868.db2.gz QVHYJSZKUJSPOF-MRXNPFEDSA-N 1 1 296.842 3.210 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@]1(C)CC[N@H+](CC=C(C)C)C1 ZINC001278396102 809130357 /nfs/dbraw/zinc/13/03/57/809130357.db2.gz MISLHLPHLYAZSA-SFHVURJKSA-N 1 1 290.451 3.302 20 30 CGEDMO C=CCCC(=O)N[C@@]12CCC[C@H]1[N@@H+](CC=C(C)C)CC2 ZINC001278439303 809134276 /nfs/dbraw/zinc/13/42/76/809134276.db2.gz IXHNZKHYWLRJSA-NVXWUHKLSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)CC(C)(C)C2CC2)[C@@H]1C ZINC001278511948 809139061 /nfs/dbraw/zinc/13/90/61/809139061.db2.gz YWJVQWOCZYKRQG-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C2CC2)[C@@H]1C ZINC001278514882 809139386 /nfs/dbraw/zinc/13/93/86/809139386.db2.gz AZGLXXWCZKOXST-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)=C1CCC1)C2 ZINC001279222748 809167168 /nfs/dbraw/zinc/16/71/68/809167168.db2.gz VBFKLUGQILDJOK-ACHSLPGTSA-N 1 1 288.435 3.032 20 30 CGEDMO C=CCCC(=O)NCC1=CC[N@@H+](CCC2CCCC2)CC1 ZINC001279512031 809173145 /nfs/dbraw/zinc/17/31/45/809173145.db2.gz WWDAZHVMCQBQEX-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C#CCCCCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCC ZINC001279552192 809174554 /nfs/dbraw/zinc/17/45/54/809174554.db2.gz ADSJDEWQCGVNNJ-SJORKVTESA-N 1 1 290.451 3.045 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)CC ZINC001279575918 809174873 /nfs/dbraw/zinc/17/48/73/809174873.db2.gz JQGPTTBAGZOKJN-CVEARBPZSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)C[C@H]2CC[C@H](C)C2)CC1 ZINC001279613328 809176011 /nfs/dbraw/zinc/17/60/11/809176011.db2.gz BJOJJBLUFYINST-RDJZCZTQSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)[C@@H](C)c2cccc(C)c2)CC1 ZINC001279644124 809177433 /nfs/dbraw/zinc/17/74/33/809177433.db2.gz NEIXMRASJCIMKZ-INIZCTEOSA-N 1 1 298.430 3.033 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@@H](C)c2ccccc2)CC1 ZINC001279675195 809177737 /nfs/dbraw/zinc/17/77/37/809177737.db2.gz BRKAMUSRZKTSKT-INIZCTEOSA-N 1 1 298.430 3.115 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC001280756855 809197846 /nfs/dbraw/zinc/19/78/46/809197846.db2.gz PETXZJHQZYMGFT-IXDOHACOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)C(C)C)CC1 ZINC001280761732 809197909 /nfs/dbraw/zinc/19/79/09/809197909.db2.gz ZSJTUCFBLNAJAR-CVEARBPZSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)c1ccc(C)cc1 ZINC001280880876 809202727 /nfs/dbraw/zinc/20/27/27/809202727.db2.gz LYJRKBNECYMKPZ-UHFFFAOYSA-N 1 1 288.435 3.355 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@H+](CC(C)C)CC1(C)C ZINC001281551709 809214994 /nfs/dbraw/zinc/21/49/94/809214994.db2.gz CISIPGDXSPXSMB-OAHLLOKOSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)CC(C)(C)C)C[C@H]1C ZINC001281650737 809216659 /nfs/dbraw/zinc/21/66/59/809216659.db2.gz FXHQDPSYZNIUAL-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[N@H+](CC)CC1CCN(C(=O)[C@@H](C)C(C)C)CC1 ZINC001281840064 809221299 /nfs/dbraw/zinc/22/12/99/809221299.db2.gz IVVHXXUFPRIOEA-INIZCTEOSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)c1cc(C)c(C)o1 ZINC001281931308 809223346 /nfs/dbraw/zinc/22/33/46/809223346.db2.gz ZSJDDRXHEYKYPI-OAHLLOKOSA-N 1 1 290.407 3.009 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@]1(C)CC=CCC1 ZINC001281939002 809225148 /nfs/dbraw/zinc/22/51/48/809225148.db2.gz ACPXCIUIJJMZML-FUHWJXTLSA-N 1 1 290.451 3.232 20 30 CGEDMO C#CCC[N@H+](C)[C@@H](C)CNC(=O)C[C@H](C)C1CCCCC1 ZINC001282467289 809249559 /nfs/dbraw/zinc/24/95/59/809249559.db2.gz IACOQNZACQYDIX-HOTGVXAUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCCC1(C)C ZINC001282496055 809251007 /nfs/dbraw/zinc/25/10/07/809251007.db2.gz HWHXGVMVLXEXMU-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)C/C=C(\C)C=C ZINC001282677047 809259686 /nfs/dbraw/zinc/25/96/86/809259686.db2.gz XNCUNLABSXDURY-KMPOOHAWSA-N 1 1 276.424 3.056 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](CCC(C)C)CC1(C)C ZINC001282822112 809265733 /nfs/dbraw/zinc/26/57/33/809265733.db2.gz RHVXNBRKOGUAII-OAHLLOKOSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)[C@H](C)C(CC)CC)CC1 ZINC001283317249 809275491 /nfs/dbraw/zinc/27/54/91/809275491.db2.gz OGMRDDVYKFWMAB-CQSZACIVSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)CCC)[C@H]1C ZINC001284133093 809297435 /nfs/dbraw/zinc/29/74/35/809297435.db2.gz UGRQZNPQDBUAFH-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2cocc2C)[C@H]1C ZINC001284132933 809297722 /nfs/dbraw/zinc/29/77/22/809297722.db2.gz YHWOOWJPYYIHFJ-GDBMZVCRSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)[C@@H]1CCC[C@H]2C[C@H]21)C(C)C ZINC001284535850 809308444 /nfs/dbraw/zinc/30/84/44/809308444.db2.gz AOHGSAFDZJNIGL-GVDBMIGSSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)[C@H](F)c1ccccc1)C(C)C ZINC001284544930 809309499 /nfs/dbraw/zinc/30/94/99/809309499.db2.gz QNIMWYHMXYTFHH-MRXNPFEDSA-N 1 1 292.398 3.052 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@H]1CN(C)CCc1cccc(C#N)c1 ZINC001175533573 809446382 /nfs/dbraw/zinc/44/63/82/809446382.db2.gz ZPFLZRKCNNKEQJ-IBGZPJMESA-N 1 1 299.462 3.295 20 30 CGEDMO C=CCOCC[N@H+]1CCc2ccc(Cl)c(C)c2C1 ZINC001175586583 809463698 /nfs/dbraw/zinc/46/36/98/809463698.db2.gz HZFORJLLCAEXAH-UHFFFAOYSA-N 1 1 265.784 3.209 20 30 CGEDMO N#Cc1cccc([C@H](O)C[N@H+]2CCC[C@@H](C3CCC3)CC2)c1 ZINC001175610594 809472338 /nfs/dbraw/zinc/47/23/38/809472338.db2.gz GXMXXXVLFRISPI-IEBWSBKVSA-N 1 1 298.430 3.494 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)[C@H](CC)CC(C)C ZINC001297373336 809516448 /nfs/dbraw/zinc/51/64/48/809516448.db2.gz SLFDTLUNOSXQRH-OAHLLOKOSA-N 1 1 268.445 3.025 20 30 CGEDMO C#CC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1O)C(C)C ZINC001176373712 809682227 /nfs/dbraw/zinc/68/22/27/809682227.db2.gz XMWZPYVYSBZIFE-UHFFFAOYSA-N 1 1 279.767 3.092 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1CC1(Br)CC1 ZINC001176771597 809759765 /nfs/dbraw/zinc/75/97/65/809759765.db2.gz NJQCAXOUPLPFKW-LLVKDONJSA-N 1 1 258.203 3.345 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCCC[C@]23CCCOC3)cc1 ZINC001177015162 809774897 /nfs/dbraw/zinc/77/48/97/809774897.db2.gz GBXPQLGCYZUVQH-GOSISDBHSA-N 1 1 284.403 3.288 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc(Cl)c(Cl)c2)CCOCC1 ZINC001179780624 809944519 /nfs/dbraw/zinc/94/45/19/809944519.db2.gz OVEJDBDDAYYZSQ-UHFFFAOYSA-N 1 1 299.201 3.403 20 30 CGEDMO C#CC[N@@H+](CC)Cc1c(C)ccc(Br)c1F ZINC001180279523 809989001 /nfs/dbraw/zinc/98/90/01/809989001.db2.gz BLDPQDXRAGVDEY-UHFFFAOYSA-N 1 1 284.172 3.352 20 30 CGEDMO C#CC[N@H+](CC)Cc1c(C)ccc(Br)c1F ZINC001180279523 809989005 /nfs/dbraw/zinc/98/90/05/809989005.db2.gz BLDPQDXRAGVDEY-UHFFFAOYSA-N 1 1 284.172 3.352 20 30 CGEDMO C#C[C@H]([NH2+][C@H](C)[C@H]1CCCO1)c1ccc(Cl)cc1F ZINC001181697133 810067212 /nfs/dbraw/zinc/06/72/12/810067212.db2.gz FQONLYGGIZXKTG-WKPIXPDZSA-N 1 1 281.758 3.311 20 30 CGEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC001181872006 810077409 /nfs/dbraw/zinc/07/74/09/810077409.db2.gz ZLLGCEPOTXEJHZ-MJGOQNOKSA-N 1 1 295.430 3.245 20 30 CGEDMO C=CCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)C1CCCCC1 ZINC001181993121 810088214 /nfs/dbraw/zinc/08/82/14/810088214.db2.gz AIBDVGIJVQMGLS-INIZCTEOSA-N 1 1 278.440 3.208 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](C[C@@H]2CCc3ccccc32)C1 ZINC001182546017 810114415 /nfs/dbraw/zinc/11/44/15/810114415.db2.gz YTWIVWKDTQPCRU-WBVHZDCISA-N 1 1 253.389 3.452 20 30 CGEDMO C=CCCC[N@@H+](CC)Cc1c(F)ccc(O)c1F ZINC001184188957 810181422 /nfs/dbraw/zinc/18/14/22/810181422.db2.gz QOBLOEDVCYETCM-UHFFFAOYSA-N 1 1 255.308 3.459 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1c(F)ccc(O)c1F ZINC001184188957 810181425 /nfs/dbraw/zinc/18/14/25/810181425.db2.gz QOBLOEDVCYETCM-UHFFFAOYSA-N 1 1 255.308 3.459 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)/C(C)=C/CC)[C@@H]2C1 ZINC001187101041 810383834 /nfs/dbraw/zinc/38/38/34/810383834.db2.gz HUJCOGYXWCKMRU-KYKYKBOXSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)CC2CCCCC2)C1 ZINC001188763662 810510930 /nfs/dbraw/zinc/51/09/30/810510930.db2.gz DLCFRNFJGDELRH-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C)[C@@H]2C1 ZINC001188785999 810514265 /nfs/dbraw/zinc/51/42/65/810514265.db2.gz LUABDHRBQUMYQE-YYIAUSFCSA-N 1 1 292.467 3.146 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(Cl)o2)C1 ZINC001188861480 810519937 /nfs/dbraw/zinc/51/99/37/810519937.db2.gz DELRUCZKGDMAND-LBPRGKRZSA-N 1 1 296.798 3.046 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)CCCCC)C1 ZINC001188887488 810521942 /nfs/dbraw/zinc/52/19/42/810521942.db2.gz REFGEUQJDMKTSJ-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]2C[N@H+]([C@@H](C)CCC=C)C[C@H]21 ZINC001189006299 810532282 /nfs/dbraw/zinc/53/22/82/810532282.db2.gz BQLAPXJWWAIMDN-YESZJQIVSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]2C[N@H+]([C@H](C)CCC=C)C[C@H]21 ZINC001189006297 810532688 /nfs/dbraw/zinc/53/26/88/810532688.db2.gz BQLAPXJWWAIMDN-IXDOHACOSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)CCCC(C)C)[C@@H]2C1 ZINC001189203778 810549075 /nfs/dbraw/zinc/54/90/75/810549075.db2.gz QEXLMLWMVQQKFM-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)C2CCCCCC2)C1 ZINC001189280489 810553594 /nfs/dbraw/zinc/55/35/94/810553594.db2.gz SPZXEFDWVIERGB-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CCC2CCC2)C1 ZINC001189564902 810578559 /nfs/dbraw/zinc/57/85/59/810578559.db2.gz IWIHRJSTSHAQRG-DOTOQJQBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)CC(C)C)[C@@H]2C1 ZINC001189762879 810588166 /nfs/dbraw/zinc/58/81/66/810588166.db2.gz HASMBVJNRJHQOV-YESZJQIVSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)CC(C)C)[C@@H]2C1 ZINC001189764668 810588536 /nfs/dbraw/zinc/58/85/36/810588536.db2.gz XFZSLSRKZFVFDG-IXDOHACOSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)c2sccc2Cl)C1 ZINC001190291573 810618703 /nfs/dbraw/zinc/61/87/03/810618703.db2.gz RYOUTLDMULMBKR-LLVKDONJSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[C@H]([N@H+](C)C[C@H](F)CC)C1 ZINC001190354819 810622329 /nfs/dbraw/zinc/62/23/29/810622329.db2.gz QQTVIDWNPBBOMA-CVEARBPZSA-N 1 1 296.430 3.036 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)CC(C)(C)CC)C1 ZINC001190361023 810623543 /nfs/dbraw/zinc/62/35/43/810623543.db2.gz ASVKMXMWRRLWLR-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)C(=C)Cl)C1 ZINC001190355253 810624089 /nfs/dbraw/zinc/62/40/89/810624089.db2.gz XJUBHSUUBDALRQ-AWEZNQCLSA-N 1 1 298.858 3.264 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@@H]([N@@H+](C)CCC(C)(C)C)C1 ZINC001190429279 810628632 /nfs/dbraw/zinc/62/86/32/810628632.db2.gz ZPIYREMBKFBOJQ-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO CCCCCCCCNC(=O)N[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001191076866 810672147 /nfs/dbraw/zinc/67/21/47/810672147.db2.gz OYECHYYHLNPGNI-INIZCTEOSA-N 1 1 297.487 3.376 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H](CC)CCCC)C1 ZINC001191423197 810712720 /nfs/dbraw/zinc/71/27/20/810712720.db2.gz OKXZRCHOHGUBIH-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C2(CCF)CC2)C1 ZINC001191507660 810721186 /nfs/dbraw/zinc/72/11/86/810721186.db2.gz NDVHPVLJTPMBLR-GJZGRUSLSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]([N@H+](C)CC/C=C\CC)C1 ZINC001191718407 810731941 /nfs/dbraw/zinc/73/19/41/810731941.db2.gz GHZUCARQMYMKKN-CDNLZTBQSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)C=C)C1 ZINC001191720007 810733158 /nfs/dbraw/zinc/73/31/58/810733158.db2.gz PQORLBNAOXFOLT-LSDHHAIUSA-N 1 1 278.440 3.086 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C2(C)CCC2)C1 ZINC001191755918 810736160 /nfs/dbraw/zinc/73/61/60/810736160.db2.gz ZVWFYWBADXYCTJ-CABCVRRESA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)CC(C)=C(C)C)C1 ZINC001191763668 810737636 /nfs/dbraw/zinc/73/76/36/810737636.db2.gz NEKVTOYVOHOBGX-CQSZACIVSA-N 1 1 284.831 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)CC(C)=C(C)C)C1 ZINC001191763668 810737641 /nfs/dbraw/zinc/73/76/41/810737641.db2.gz NEKVTOYVOHOBGX-CQSZACIVSA-N 1 1 284.831 3.018 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)c2cocc2C)C1 ZINC001191772461 810739160 /nfs/dbraw/zinc/73/91/60/810739160.db2.gz OYDUTZUOZNHJHM-LSDHHAIUSA-N 1 1 290.407 3.089 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C/C=C(/C)C=C)C1 ZINC001191830079 810749001 /nfs/dbraw/zinc/74/90/01/810749001.db2.gz UDSPCQDURUFONJ-GNBKXHOFSA-N 1 1 290.451 3.396 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)C2(CCC)CCC2)C1 ZINC001191850520 810750836 /nfs/dbraw/zinc/75/08/36/810750836.db2.gz UWALYQYGCWKBMK-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)CCCC2CC2)C1 ZINC001191891065 810753720 /nfs/dbraw/zinc/75/37/20/810753720.db2.gz WTNGDPYOGOYTNT-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC[C@@H]([N@@H+](C)CC2CCCC2)C1 ZINC001191889394 810753942 /nfs/dbraw/zinc/75/39/42/810753942.db2.gz GESZZKCDUCMGCL-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)CC2CC(C)(C)C2)C1 ZINC001191931077 810757184 /nfs/dbraw/zinc/75/71/84/810757184.db2.gz PLEOYFNTGOVBMS-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@](C)(C=C)CC)C1 ZINC001192163315 810772884 /nfs/dbraw/zinc/77/28/84/810772884.db2.gz VEXDMKIYWDYOMU-DOTOQJQBSA-N 1 1 278.440 3.088 20 30 CGEDMO CCOc1cc([NH+]=C(NO)c2ccccc2N)ccc1C ZINC001214328035 815396197 /nfs/dbraw/zinc/39/61/97/815396197.db2.gz IZCAQTOZQQDXCI-UHFFFAOYSA-N 1 1 285.347 3.033 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)C2(CCC)CC2)C1 ZINC001192256677 810781170 /nfs/dbraw/zinc/78/11/70/810781170.db2.gz JACMKYOIKFUVIS-HOTGVXAUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C2(C)CC(=C)C2)C1 ZINC001192258426 810781708 /nfs/dbraw/zinc/78/17/08/810781708.db2.gz WQDSYYZFYAFWCL-CVEARBPZSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)CC(C)C)C1 ZINC001193408645 810884123 /nfs/dbraw/zinc/88/41/23/810884123.db2.gz OKQVTWHLYXTRBW-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](F)CCCCCC)C1 ZINC001193479441 810894172 /nfs/dbraw/zinc/89/41/72/810894172.db2.gz VOFDDAWRDWWLPS-JKSUJKDBSA-N 1 1 298.446 3.404 20 30 CGEDMO CSCCC[N@@H+](C)Cc1c(C)cc(C#N)cc1C ZINC001193734188 810945677 /nfs/dbraw/zinc/94/56/77/810945677.db2.gz IDATVDNWSGGAFL-UHFFFAOYSA-N 1 1 262.422 3.360 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)c2cccc(C)c2C)C1 ZINC001193806136 810959508 /nfs/dbraw/zinc/95/95/08/810959508.db2.gz PRBHBQAKSMNLHJ-INIZCTEOSA-N 1 1 286.419 3.026 20 30 CGEDMO CCCCCCCOC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001194020144 811003435 /nfs/dbraw/zinc/00/34/35/811003435.db2.gz YGXQWIWRVVWOPA-HNNXBMFYSA-N 1 1 282.428 3.167 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)CC(C)(C)C)C1 ZINC001194190442 811032245 /nfs/dbraw/zinc/03/22/45/811032245.db2.gz DTHILYAMHLMUGI-CQSZACIVSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)c2coc3ccccc32)C1 ZINC001194460173 811078731 /nfs/dbraw/zinc/07/87/31/811078731.db2.gz MRPXSRRBGKONAB-CQSZACIVSA-N 1 1 298.386 3.155 20 30 CGEDMO CCCCCCCCOC(=O)N[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC001194753966 811125250 /nfs/dbraw/zinc/12/52/50/811125250.db2.gz XNTPZCCAIJFHFA-LSDHHAIUSA-N 1 1 284.444 3.413 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)CCC2CC2)CC1 ZINC001195337548 811244319 /nfs/dbraw/zinc/24/43/19/811244319.db2.gz HEDLRFKLKIJOTP-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCC[N@H+](C[C@H](C)CC)CC1 ZINC001195966403 811305687 /nfs/dbraw/zinc/30/56/87/811305687.db2.gz BRYFGKNHFZPWQE-MRXNPFEDSA-N 1 1 292.467 3.335 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[N@H+](CCCC(C)C)CC1 ZINC001196018130 811311172 /nfs/dbraw/zinc/31/11/72/811311172.db2.gz JYKFHKDVYCVRRY-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C#CCCCCCC[N@H+]1Cc2ccccc2[C@@H](C(=O)OC)C1 ZINC001196658215 811358314 /nfs/dbraw/zinc/35/83/14/811358314.db2.gz RFSPJNHSKIKYSH-SFHVURJKSA-N 1 1 299.414 3.343 20 30 CGEDMO C#CC[N@H+]1CCCN(C(=O)[C@H](CC)CCCCCC)CC1 ZINC001196732793 811361339 /nfs/dbraw/zinc/36/13/39/811361339.db2.gz UBWQHMNHQRLHLL-QGZVFWFLSA-N 1 1 292.467 3.151 20 30 CGEDMO C#CC[N@@H+]1CCCN(C(=O)[C@H](CC)CCCCCC)CC1 ZINC001196732793 811361344 /nfs/dbraw/zinc/36/13/44/811361344.db2.gz UBWQHMNHQRLHLL-QGZVFWFLSA-N 1 1 292.467 3.151 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC[N@@H+](CCCCCF)CC1 ZINC001196889932 811379387 /nfs/dbraw/zinc/37/93/87/811379387.db2.gz LXJOSTLRAZCVHL-INIZCTEOSA-N 1 1 298.446 3.263 20 30 CGEDMO C=CCCCC(=O)N1CCC[N@H+](CCCC(C)C)CC1 ZINC001197000170 811389767 /nfs/dbraw/zinc/38/97/67/811389767.db2.gz KKFPYRWCSCUJRH-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCCCC(=O)N1CCC[N@H+](CC(CC)CC)CC1 ZINC001197000019 811389931 /nfs/dbraw/zinc/38/99/31/811389931.db2.gz HWZGCMUSRJIDEW-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC001197176895 811403521 /nfs/dbraw/zinc/40/35/21/811403521.db2.gz GBNSLCOIKCZYFT-OAGGEKHMSA-N 1 1 251.414 3.358 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[N@H+](CC=C(C)C)CC1 ZINC001197278671 811410162 /nfs/dbraw/zinc/41/01/62/811410162.db2.gz YQRALAYCJUHLCM-UHFFFAOYSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)C2(CC)CCCC2)CC1 ZINC001197640550 811440283 /nfs/dbraw/zinc/44/02/83/811440283.db2.gz ZXQXENJODSAZSI-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C#CC[N@H+](CC(=O)Nc1cc(Cl)ccc1F)C(C)(C)C ZINC001197930764 811464644 /nfs/dbraw/zinc/46/46/44/811464644.db2.gz SMPOYFYXXATIHD-UHFFFAOYSA-N 1 1 296.773 3.151 20 30 CGEDMO C#CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1F)C(C)(C)C ZINC001197930764 811464647 /nfs/dbraw/zinc/46/46/47/811464647.db2.gz SMPOYFYXXATIHD-UHFFFAOYSA-N 1 1 296.773 3.151 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1C[C@@H]1CCCC[C@H]1C(=O)OC ZINC001198414129 811498795 /nfs/dbraw/zinc/49/87/95/811498795.db2.gz CILFREBTMOCSNH-ARFHVFGLSA-N 1 1 279.424 3.396 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1cc(C(=O)OC)oc1C ZINC001198406633 811499225 /nfs/dbraw/zinc/49/92/25/811499225.db2.gz JXDDFGLKBGODCA-AWEZNQCLSA-N 1 1 277.364 3.305 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1nnc(CC)s1 ZINC001198414352 811499500 /nfs/dbraw/zinc/49/95/00/811499500.db2.gz MXOMIZYBSIVPIO-NSHDSACASA-N 1 1 251.399 3.031 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC001198490830 811508143 /nfs/dbraw/zinc/50/81/43/811508143.db2.gz LEOMCWAHSHKNAE-HIFRSBDPSA-N 1 1 290.794 3.096 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC001198490231 811508178 /nfs/dbraw/zinc/50/81/78/811508178.db2.gz IMDKKXZXRQPKAB-OAHLLOKOSA-N 1 1 294.439 3.284 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCc2cc(O)ccc2C1 ZINC001198828197 811545408 /nfs/dbraw/zinc/54/54/08/811545408.db2.gz KJPNMALCRPOAPY-CYBMUJFWSA-N 1 1 278.355 3.383 20 30 CGEDMO C[C@H](C#N)c1ccc(NC(=O)c2c[nH+]ccc2N(C)C)cc1 ZINC001199349069 811572792 /nfs/dbraw/zinc/57/27/92/811572792.db2.gz AGOHBFGJAUNRIG-GFCCVEGCSA-N 1 1 294.358 3.027 20 30 CGEDMO CCCCCCCCCNC(=S)NC[C@@H]1CC[N@@H+](C)C1 ZINC001200378629 811684201 /nfs/dbraw/zinc/68/42/01/811684201.db2.gz YMFHMYJWIXHYBM-HNNXBMFYSA-N 1 1 299.528 3.153 20 30 CGEDMO N#Cc1ccc2c(c1)CC[N@H+](CC1CCCCC1)C2 ZINC001201390164 811824621 /nfs/dbraw/zinc/82/46/21/811824621.db2.gz CYLQKKUIQSPIFQ-UHFFFAOYSA-N 1 1 254.377 3.497 20 30 CGEDMO CCCCCCC[N@@H+](C)CCCNC(=O)[C@H](C)SC ZINC001234291266 818829035 /nfs/dbraw/zinc/82/90/35/818829035.db2.gz PHCVDHIXZCHXKD-AWEZNQCLSA-N 1 1 288.501 3.146 20 30 CGEDMO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](C[C@H](C)CC)C2 ZINC001201502828 811871891 /nfs/dbraw/zinc/87/18/91/811871891.db2.gz LGVNEDZXNVDFKR-IXDOHACOSA-N 1 1 281.440 3.106 20 30 CGEDMO C=CCN1C(=O)CC[C@@]12CCC[N@H+](C[C@H](C)CC)CC2 ZINC001201505091 811872669 /nfs/dbraw/zinc/87/26/69/811872669.db2.gz YBTVDSSOFKUHGF-NVXWUHKLSA-N 1 1 278.440 3.066 20 30 CGEDMO CC[C@H](C)C[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001201516044 811878505 /nfs/dbraw/zinc/87/85/05/811878505.db2.gz TZQFRVQIJMTODE-HOCLYGCPSA-N 1 1 272.392 3.448 20 30 CGEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](C[C@H](C)CCC)C2 ZINC001201542185 811892997 /nfs/dbraw/zinc/89/29/97/811892997.db2.gz ILJGSTSXNKTDIZ-KZNAEPCWSA-N 1 1 295.467 3.496 20 30 CGEDMO Cn1c[nH+]c2cccc(Nc3ccc(C#N)cc3F)c21 ZINC001201574202 811910742 /nfs/dbraw/zinc/91/07/42/811910742.db2.gz TXSKWCLJOIRCNY-UHFFFAOYSA-N 1 1 266.279 3.328 20 30 CGEDMO CCCCCCCCCCC[N@H+]1CCOC[C@H](O)C1 ZINC001201631716 811926062 /nfs/dbraw/zinc/92/60/62/811926062.db2.gz YXLKNZIIVHTICD-MRXNPFEDSA-N 1 1 271.445 3.210 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](CCCCC)CC2 ZINC001201730463 811949627 /nfs/dbraw/zinc/94/96/27/811949627.db2.gz IZZOKNRQUNDXPY-KRWDZBQOSA-N 1 1 278.440 3.210 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]2OCC[C@@]2(C(=O)OCC)C1 ZINC001201762329 811963315 /nfs/dbraw/zinc/96/33/15/811963315.db2.gz GLWQYJSNYJKZNP-NVXWUHKLSA-N 1 1 297.439 3.001 20 30 CGEDMO CCCCCCC[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001201761934 811963385 /nfs/dbraw/zinc/96/33/85/811963385.db2.gz VUIYOLIGGGWMOC-RYUDHWBXSA-N 1 1 285.325 3.294 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001201761934 811963387 /nfs/dbraw/zinc/96/33/87/811963387.db2.gz VUIYOLIGGGWMOC-RYUDHWBXSA-N 1 1 285.325 3.294 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](CCC(=O)OC)C1 ZINC001201787515 811964358 /nfs/dbraw/zinc/96/43/58/811964358.db2.gz DKQMFSIHFZHFDV-CQSZACIVSA-N 1 1 255.402 3.232 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H](C(=O)OC)[C@H]1C ZINC001201787763 811964679 /nfs/dbraw/zinc/96/46/79/811964679.db2.gz LBUHJBAASMSORR-ZIAGYGMSSA-N 1 1 255.402 3.230 20 30 CGEDMO CCCCCCCC[N@H+]1CCC(O)=C(C(=O)OCC)CC1 ZINC001201826170 811968245 /nfs/dbraw/zinc/96/82/45/811968245.db2.gz OXTQRTRDIBULDD-HNNXBMFYSA-N 1 1 297.439 3.191 20 30 CGEDMO CCCCCCCC[N@H+]1CCC(=O)N2CCC[C@H]2C1 ZINC001201840105 811969223 /nfs/dbraw/zinc/96/92/23/811969223.db2.gz MDXBWKONGTZPLQ-HNNXBMFYSA-N 1 1 266.429 3.044 20 30 CGEDMO CCCCCCCCC[N@H+]1CCCC[C@@H]1C(N)=O ZINC001201847549 811971590 /nfs/dbraw/zinc/97/15/90/811971590.db2.gz XGNOYGVWOCYGSF-CQSZACIVSA-N 1 1 254.418 3.077 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@@H](N(C)C(C)=O)C1 ZINC001201852936 811972521 /nfs/dbraw/zinc/97/25/21/811972521.db2.gz SWAOXLLOXHNLLL-MRXNPFEDSA-N 1 1 268.445 3.290 20 30 CGEDMO N#CCC[N@@H+](C[C@H]1CCOC1)C1CCCCCCC1 ZINC001202498457 812108790 /nfs/dbraw/zinc/10/87/90/812108790.db2.gz UGUZJSMBFMUWKS-OAHLLOKOSA-N 1 1 264.413 3.351 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](CC1CCC1)[C@@H]2CC ZINC001202721678 812158672 /nfs/dbraw/zinc/15/86/72/812158672.db2.gz HWENYBDKLMXLJK-AEFFLSMTSA-N 1 1 290.451 3.208 20 30 CGEDMO CCCCCCCCCC[N@@H+](C)C[C@H]1CCC(=O)N1 ZINC001202904552 812198074 /nfs/dbraw/zinc/19/80/74/812198074.db2.gz WMGXXWPBYXQCSC-OAHLLOKOSA-N 1 1 268.445 3.338 20 30 CGEDMO C#CC[N@H+](CC1(CC)COC1)[C@@H]1CCc2ccccc21 ZINC001202963050 812209706 /nfs/dbraw/zinc/20/97/06/812209706.db2.gz UDFPOWHEGUPIST-QGZVFWFLSA-N 1 1 269.388 3.036 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@H+](Cc1ccccc1F)CC2 ZINC001203346458 812316158 /nfs/dbraw/zinc/31/61/58/812316158.db2.gz NAWIQTDNPIWNHX-UHFFFAOYSA-N 1 1 266.319 3.256 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@@H+](Cc1ccccc1F)CC2 ZINC001203346458 812316163 /nfs/dbraw/zinc/31/61/63/812316163.db2.gz NAWIQTDNPIWNHX-UHFFFAOYSA-N 1 1 266.319 3.256 20 30 CGEDMO COc1ccc(C[N@H+](CCC#N)C2CCCC2)cc1O ZINC001203869010 812477357 /nfs/dbraw/zinc/47/73/57/812477357.db2.gz KUVHCZMBQXZJMD-UHFFFAOYSA-N 1 1 274.364 3.059 20 30 CGEDMO COc1ccc(C[N@@H+](CCC#N)C2CCCC2)cc1O ZINC001203869010 812477359 /nfs/dbraw/zinc/47/73/59/812477359.db2.gz KUVHCZMBQXZJMD-UHFFFAOYSA-N 1 1 274.364 3.059 20 30 CGEDMO CN(C)c1ccc(C[N@@H+]2CC[C@@H](C#N)C2)c2ccccc21 ZINC001204242237 812584345 /nfs/dbraw/zinc/58/43/45/812584345.db2.gz NATBTGRXSKCDBT-AWEZNQCLSA-N 1 1 279.387 3.251 20 30 CGEDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](C#N)C2)c2ccccc21 ZINC001204242237 812584353 /nfs/dbraw/zinc/58/43/53/812584353.db2.gz NATBTGRXSKCDBT-AWEZNQCLSA-N 1 1 279.387 3.251 20 30 CGEDMO C#CC[N@H+](Cc1ccc(O)cc1O)[C@@H]1CCc2ccccc21 ZINC001204278648 812594900 /nfs/dbraw/zinc/59/49/00/812594900.db2.gz GXHNXALRYPHLLC-GOSISDBHSA-N 1 1 293.366 3.221 20 30 CGEDMO C=CC[N@H+](C[C@H](OC)C1CC1)CC1CCCCC1 ZINC001204922489 812777088 /nfs/dbraw/zinc/77/70/88/812777088.db2.gz AEYXSSTXGSTFLR-INIZCTEOSA-N 1 1 251.414 3.480 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1c(C)ccc(Br)c1F ZINC001205568501 813006242 /nfs/dbraw/zinc/00/62/42/813006242.db2.gz JSMLETMVHBXYCN-JTQLQIEISA-N 1 1 284.172 3.350 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1c(C)ccc(Br)c1F ZINC001205568501 813006251 /nfs/dbraw/zinc/00/62/51/813006251.db2.gz JSMLETMVHBXYCN-JTQLQIEISA-N 1 1 284.172 3.350 20 30 CGEDMO Cc1ccc(N2CCC[C@@H](OCCCCC#N)C2)[nH+]c1 ZINC001205671727 813047745 /nfs/dbraw/zinc/04/77/45/813047745.db2.gz DJLWHDYITCTOFM-OAHLLOKOSA-N 1 1 273.380 3.069 20 30 CGEDMO C[C@@H]1CN(Cc2ccc(Cl)cc2C#N)CCC[C@H]1C[NH3+] ZINC001206013735 813165415 /nfs/dbraw/zinc/16/54/15/813165415.db2.gz UAEAPAGBHHTIBP-OLZOCXBDSA-N 1 1 291.826 3.018 20 30 CGEDMO C#C[C@H]([NH2+]Cc1c(F)cc(C)cc1F)C(C)(C)C ZINC001206076969 813192227 /nfs/dbraw/zinc/19/22/27/813192227.db2.gz HMZRPIKHKQOXOC-AWEZNQCLSA-N 1 1 251.320 3.411 20 30 CGEDMO C(#Cc1ccccc1)CNC[C@H]1CC[N@H+]1C1CCCCC1 ZINC001206692085 813399724 /nfs/dbraw/zinc/39/97/24/813399724.db2.gz XMZUTFSIHSKUGU-LJQANCHMSA-N 1 1 282.431 3.035 20 30 CGEDMO C(#Cc1ccccc1)C[NH2+]C[C@H]1CCN1C1CCCCC1 ZINC001206692085 813399734 /nfs/dbraw/zinc/39/97/34/813399734.db2.gz XMZUTFSIHSKUGU-LJQANCHMSA-N 1 1 282.431 3.035 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1Nc1ccccc1C#N ZINC001206738106 813414170 /nfs/dbraw/zinc/41/41/70/813414170.db2.gz WLYGUEVUVSOGEX-UHFFFAOYSA-N 1 1 252.321 3.071 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1Nc1cc(C#N)ccc1F ZINC001206744716 813417321 /nfs/dbraw/zinc/41/73/21/813417321.db2.gz YKVUHUNROHRYPJ-UHFFFAOYSA-N 1 1 270.311 3.210 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)on2)CC1 ZINC001206845604 813450645 /nfs/dbraw/zinc/45/06/45/813450645.db2.gz AWOQMLCIRHYKJR-AWEZNQCLSA-N 1 1 281.359 3.467 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)on2)CC1 ZINC001206845604 813450646 /nfs/dbraw/zinc/45/06/46/813450646.db2.gz AWOQMLCIRHYKJR-AWEZNQCLSA-N 1 1 281.359 3.467 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@H]2c2ccccc2F)cc1C#N ZINC001207106931 813487593 /nfs/dbraw/zinc/48/75/93/813487593.db2.gz YIRCSKJJFJKPPA-KRWDZBQOSA-N 1 1 283.350 3.373 20 30 CGEDMO N#C[C@@H]1CC[N@H+](C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001207192158 813512223 /nfs/dbraw/zinc/51/22/23/813512223.db2.gz PDWFQJUADPNVLD-CORIIIEPSA-N 1 1 260.768 3.289 20 30 CGEDMO C=CCCCC[C@@H](C)[NH2+][C@@H](C)C(=O)OCC(C)C ZINC001207209604 813515066 /nfs/dbraw/zinc/51/50/66/813515066.db2.gz PLXWMYYLVWNSRO-KGLIPLIRSA-N 1 1 255.402 3.299 20 30 CGEDMO C=CCN(CC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(=O)OC(C)(C)C ZINC001207203422 813515579 /nfs/dbraw/zinc/51/55/79/813515579.db2.gz CHHHRLVRFXBFMG-GASCZTMLSA-N 1 1 296.455 3.387 20 30 CGEDMO C#CC[N@H+](Cc1cc(C)c2ncccc2c1)C1CSC1 ZINC001207219246 813516715 /nfs/dbraw/zinc/51/67/15/813516715.db2.gz YDJNWDBLWUBDEY-UHFFFAOYSA-N 1 1 282.412 3.094 20 30 CGEDMO C#C[C@H]1CCC[N@H+](CCc2ccc(Br)cc2)C1 ZINC001207385999 813556531 /nfs/dbraw/zinc/55/65/31/813556531.db2.gz PWXFHSRLKQLRHT-ZDUSSCGKSA-N 1 1 292.220 3.337 20 30 CGEDMO N#Cc1ccc2c(c1)CC[N@H+](CCc1ccccc1F)C2 ZINC001207496862 813578197 /nfs/dbraw/zinc/57/81/97/813578197.db2.gz SBIRKJGQLQAWJL-UHFFFAOYSA-N 1 1 280.346 3.298 20 30 CGEDMO C=CCCCCCCCCC[N@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC001207898720 813666894 /nfs/dbraw/zinc/66/68/94/813666894.db2.gz DDDQUAOWGHTGSU-MSOLQXFVSA-N 1 1 294.483 3.308 20 30 CGEDMO CCCCCCC/C=C/C[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC001208118946 813698150 /nfs/dbraw/zinc/69/81/50/813698150.db2.gz SYDQRUHXQWIZAQ-XVJNWHFHSA-N 1 1 280.412 3.040 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CCN2C(=O)OC[C@H]2C1 ZINC001208118946 813698154 /nfs/dbraw/zinc/69/81/54/813698154.db2.gz SYDQRUHXQWIZAQ-XVJNWHFHSA-N 1 1 280.412 3.040 20 30 CGEDMO CC/C=C\CCC[N@H+]1CCC2SC(=O)C=C2C1 ZINC001208134976 813701713 /nfs/dbraw/zinc/70/17/13/813701713.db2.gz VHXSHRGVJZWBLK-SCOBNMCVSA-N 1 1 251.395 3.007 20 30 CGEDMO C=C(C)[C@@H]1CC=C(CN2CCC[C@@H]3C[N@H+](C)C[C@@H]32)CC1 ZINC001208178961 813731026 /nfs/dbraw/zinc/73/10/26/813731026.db2.gz YXQDJQFXCWQPRT-KURKYZTESA-N 1 1 274.452 3.315 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C/C=C(\C)C=C)C1 ZINC001208354082 813757302 /nfs/dbraw/zinc/75/73/02/813757302.db2.gz UZAAPOHTLXFNKT-JCWINUIBSA-N 1 1 290.451 3.300 20 30 CGEDMO Cc1ncccc1C[N@@H+](C)CCCc1cccc(C#N)c1 ZINC001208854596 813866676 /nfs/dbraw/zinc/86/66/76/813866676.db2.gz RBFATDAHEPAOQN-UHFFFAOYSA-N 1 1 279.387 3.326 20 30 CGEDMO N#Cc1cccc(CCC[N@H+]2CC[C@H](c3cccnc3)C2)c1 ZINC001208853386 813867202 /nfs/dbraw/zinc/86/72/02/813867202.db2.gz KGXWZWMMBWCJED-IBGZPJMESA-N 1 1 291.398 3.375 20 30 CGEDMO CCC[N@@H+](CCCc1ccc(C#N)cc1)CCCN(C)C ZINC001208864815 813875540 /nfs/dbraw/zinc/87/55/40/813875540.db2.gz VBNLCYPUQKWYFK-UHFFFAOYSA-N 1 1 287.451 3.155 20 30 CGEDMO CCC[N@H+](CCCc1ccc(C#N)cc1)CCCN(C)C ZINC001208864815 813875552 /nfs/dbraw/zinc/87/55/52/813875552.db2.gz VBNLCYPUQKWYFK-UHFFFAOYSA-N 1 1 287.451 3.155 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCCC3(CCC3)C2)cc1 ZINC001208928685 813900954 /nfs/dbraw/zinc/90/09/54/813900954.db2.gz GHMSZSIJMUKVNS-UHFFFAOYSA-N 1 1 254.377 3.367 20 30 CGEDMO CC[N@@H+](CCc1ccc(C#N)cc1)Cc1ccccc1O ZINC001208926788 813901838 /nfs/dbraw/zinc/90/18/38/813901838.db2.gz BPXIZCGKZSBTIO-UHFFFAOYSA-N 1 1 280.371 3.328 20 30 CGEDMO N#CCC[N@@H+](CCc1ccc(C#N)cc1)C1CCCC1 ZINC001208927105 813902364 /nfs/dbraw/zinc/90/23/64/813902364.db2.gz PEWIKPFGUQTRHX-UHFFFAOYSA-N 1 1 267.376 3.259 20 30 CGEDMO C=CCN(CC[N@H+]1CCCC2(CCCC2)C1)C(=O)OCC ZINC001209016023 813917776 /nfs/dbraw/zinc/91/77/76/813917776.db2.gz DGGNPSZIJQWFPE-UHFFFAOYSA-N 1 1 294.439 3.287 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 ZINC001209159071 813951379 /nfs/dbraw/zinc/95/13/79/813951379.db2.gz ZQLKGLDTQIOSCV-HUUCEWRRSA-N 1 1 294.439 3.284 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@]2(CC(=O)N(c3cccc(C)c3)C2)C1 ZINC001209161496 813951854 /nfs/dbraw/zinc/95/18/54/813951854.db2.gz LYLOGJHQOMCOIO-IBGZPJMESA-N 1 1 298.430 3.390 20 30 CGEDMO C=CCCC[N@H+]1CCO[C@]2(CCC[C@@H]2COCC=C)C1 ZINC001209161558 813952263 /nfs/dbraw/zinc/95/22/63/813952263.db2.gz MHRHKPHFDOFMIW-IAGOWNOFSA-N 1 1 279.424 3.026 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@H]1[C@H](C(N)=O)c1ccccc1 ZINC001209163204 813953734 /nfs/dbraw/zinc/95/37/34/813953734.db2.gz WJXAFMZUHIENFV-DLBZAZTESA-N 1 1 286.419 3.076 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)CC(C)(C)C)C1 ZINC001209187936 813959785 /nfs/dbraw/zinc/95/97/85/813959785.db2.gz LQJSPUBCNHCHPO-BZUAXINKSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)CC(C)(C)C)C1 ZINC001209188410 813959802 /nfs/dbraw/zinc/95/98/02/813959802.db2.gz VSFJDJYZLWNBBI-RBSFLKMASA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCCCC[N@@H+](CC(=O)OCC)Cc1ccccc1 ZINC001209200506 813965411 /nfs/dbraw/zinc/96/54/11/813965411.db2.gz IXZUWDORRQPGAB-UHFFFAOYSA-N 1 1 275.392 3.408 20 30 CGEDMO C=CCCCC[N@H+](CC(=O)OCC)Cc1ccccc1 ZINC001209200506 813965416 /nfs/dbraw/zinc/96/54/16/813965416.db2.gz IXZUWDORRQPGAB-UHFFFAOYSA-N 1 1 275.392 3.408 20 30 CGEDMO C=CCCCC[N@H+]1CCO[C@]2(CCC[C@@H]2COCC=C)C1 ZINC001209203419 813966318 /nfs/dbraw/zinc/96/63/18/813966318.db2.gz XQBKRGNTWGNINJ-QZTJIDSGSA-N 1 1 293.451 3.416 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC001209203373 813966353 /nfs/dbraw/zinc/96/63/53/813966353.db2.gz MLUUDZFKCJOFDP-DLBZAZTESA-N 1 1 259.393 3.021 20 30 CGEDMO C=CCCCC[N@H+]1Cc2cn(CC)nc2[C@@H](COCC)C1 ZINC001209203652 813966391 /nfs/dbraw/zinc/96/63/91/813966391.db2.gz RPHRDBFAMMAQDN-MRXNPFEDSA-N 1 1 291.439 3.195 20 30 CGEDMO C=CCCCC[N@H+]1CC[C@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001209203316 813966835 /nfs/dbraw/zinc/96/68/35/813966835.db2.gz WJXXGRJPLAMJPS-SJORKVTESA-N 1 1 279.424 3.003 20 30 CGEDMO C=CCCCC[N@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC001209207084 813968582 /nfs/dbraw/zinc/96/85/82/813968582.db2.gz KOXHNONXGIMNRM-QGZVFWFLSA-N 1 1 275.392 3.123 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](CCc2cc(F)c(F)cc2F)C1 ZINC001209251898 813982650 /nfs/dbraw/zinc/98/26/50/813982650.db2.gz DAKKEIRWSSAAFN-NSHDSACASA-N 1 1 282.309 3.272 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](CCc2cc(F)c(F)cc2F)C1 ZINC001209251898 813982656 /nfs/dbraw/zinc/98/26/56/813982656.db2.gz DAKKEIRWSSAAFN-NSHDSACASA-N 1 1 282.309 3.272 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@H](Oc2ccccc2C)C1 ZINC001209265749 813988414 /nfs/dbraw/zinc/98/84/14/813988414.db2.gz HNZZRWZFIXFRSC-INIZCTEOSA-N 1 1 257.377 3.252 20 30 CGEDMO CC[N@H+](CCC#N)CCc1ccccc1C(F)(F)F ZINC001209286327 813992700 /nfs/dbraw/zinc/99/27/00/813992700.db2.gz WWDRIKKNXVGHID-UHFFFAOYSA-N 1 1 270.298 3.483 20 30 CGEDMO CC[N@@H+](CCC#N)CCc1ccccc1C(F)(F)F ZINC001209286327 813992704 /nfs/dbraw/zinc/99/27/04/813992704.db2.gz WWDRIKKNXVGHID-UHFFFAOYSA-N 1 1 270.298 3.483 20 30 CGEDMO C=CCCCCC[N@H+]1Cc2cnn(C)c2[C@H](COCC)C1 ZINC001209424317 814025960 /nfs/dbraw/zinc/02/59/60/814025960.db2.gz PCMXXNJESDVUEL-INIZCTEOSA-N 1 1 291.439 3.102 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC12CN(C(=O)OC(C)(C)C)C2 ZINC001209423135 814025977 /nfs/dbraw/zinc/02/59/77/814025977.db2.gz GWVPAJMGGUTKKO-UHFFFAOYSA-N 1 1 294.439 3.428 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001209423287 814026679 /nfs/dbraw/zinc/02/66/79/814026679.db2.gz LTBFQDLFVLHILI-QWHCGFSZSA-N 1 1 297.336 3.460 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H](C(=O)OC)[C@@H](C)CC ZINC001209432548 814032922 /nfs/dbraw/zinc/03/29/22/814032922.db2.gz GSLULCRGXGATBX-KBPBESRZSA-N 1 1 255.402 3.252 20 30 CGEDMO C=CCCCCC[N@@H+]1CCOC[C@@H]1c1cccnc1 ZINC001209433187 814033383 /nfs/dbraw/zinc/03/33/83/814033383.db2.gz REVRYMUABGWXGE-MRXNPFEDSA-N 1 1 260.381 3.201 20 30 CGEDMO C=CCCCCC[N@H+]1CCOC[C@@H]1c1cccnc1 ZINC001209433187 814033389 /nfs/dbraw/zinc/03/33/89/814033389.db2.gz REVRYMUABGWXGE-MRXNPFEDSA-N 1 1 260.381 3.201 20 30 CGEDMO C=CCCCCCC[N@@H+]1CCCC[C@]12CC(=O)N(C)C2 ZINC001209435469 814036860 /nfs/dbraw/zinc/03/68/60/814036860.db2.gz KBQCBYDEEWSLAV-QGZVFWFLSA-N 1 1 278.440 3.210 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CC[C@H](N(C)C(C)=O)C1 ZINC001209442883 814043011 /nfs/dbraw/zinc/04/30/11/814043011.db2.gz ZCNHGDRRGLYTNG-INIZCTEOSA-N 1 1 266.429 3.066 20 30 CGEDMO Cc1cc(Cl)ncc1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001209635994 814103775 /nfs/dbraw/zinc/10/37/75/814103775.db2.gz MQDCHMJIPZEYCX-GFCCVEGCSA-N 1 1 263.772 3.169 20 30 CGEDMO Cc1cc(Cl)ncc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001209635994 814103777 /nfs/dbraw/zinc/10/37/77/814103777.db2.gz MQDCHMJIPZEYCX-GFCCVEGCSA-N 1 1 263.772 3.169 20 30 CGEDMO N#Cc1ncc(Nc2ccc3[nH]c[nH+]c3c2)cc1Cl ZINC001209847163 814164231 /nfs/dbraw/zinc/16/42/31/814164231.db2.gz BIYQOOQPDPZILI-UHFFFAOYSA-N 1 1 269.695 3.227 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)CC(C)C)C1 ZINC001210142980 814309089 /nfs/dbraw/zinc/30/90/89/814309089.db2.gz HNKINMHECVEBRV-HZPDHXFCSA-N 1 1 294.483 3.461 20 30 CGEDMO Cc1ccc(C#N)cc1Nc1[nH+]c2ccccc2n1C ZINC001210499135 814491258 /nfs/dbraw/zinc/49/12/58/814491258.db2.gz ZZTJOGRGOODOKJ-UHFFFAOYSA-N 1 1 262.316 3.497 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCCCC)C1 ZINC001210750200 814612004 /nfs/dbraw/zinc/61/20/04/814612004.db2.gz PHXYKPNFYVESJS-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO CCCCCCC[C@H](CC)OCC[C@H]([NH3+])C(=O)OC ZINC001217892059 815991369 /nfs/dbraw/zinc/99/13/69/815991369.db2.gz SXKIILAZZBIBKH-KBPBESRZSA-N 1 1 273.417 3.033 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CCCC(C)(C)C)[C@@H]2C1 ZINC001221443065 816314053 /nfs/dbraw/zinc/31/40/53/816314053.db2.gz JDJJMMQTBIVJNP-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCC(=C)C)[C@@H]2C1 ZINC001221583070 816321371 /nfs/dbraw/zinc/32/13/71/816321371.db2.gz CRUHILUMIBITNV-GVDBMIGSSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](CC)CCCC)[C@@H]2C1 ZINC001221701234 816323541 /nfs/dbraw/zinc/32/35/41/816323541.db2.gz JNYZALKGPOWZMB-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC[C@H]2CC[N@@H+](CC(=C)C)[C@H]2C1 ZINC001223338280 816608143 /nfs/dbraw/zinc/60/81/43/816608143.db2.gz KZLMPBXUTUHSHO-BBWFWOEESA-N 1 1 290.451 3.088 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)CC(C)(C)C)C[C@@H]21 ZINC001223629574 816660489 /nfs/dbraw/zinc/66/04/89/816660489.db2.gz YEYRAAIAAYMCCO-OAGGEKHMSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[C@@H](C)CC)C[C@@H]21 ZINC001223745878 816674004 /nfs/dbraw/zinc/67/40/04/816674004.db2.gz SHDGFXCXCBYGHT-BBWFWOEESA-N 1 1 292.467 3.312 20 30 CGEDMO Cc1ccc(N2CCC[C@H](OCCCCCC#N)C2)[nH+]c1 ZINC001224690320 816853593 /nfs/dbraw/zinc/85/35/93/816853593.db2.gz RQYUDUBAZJQTLZ-INIZCTEOSA-N 1 1 287.407 3.459 20 30 CGEDMO C=C[C@]1(C)CC[C@H](OC[C@@H]2CCCC[N@@H+]2C)C(C)(C)O1 ZINC001224705970 816860638 /nfs/dbraw/zinc/86/06/38/816860638.db2.gz HXLJXFZJUWOESK-YQQAZPJKSA-N 1 1 281.440 3.390 20 30 CGEDMO C[C@@H](CS)OC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001224827536 816890817 /nfs/dbraw/zinc/89/08/17/816890817.db2.gz VZCJSBPNIAKBGC-HOCLYGCPSA-N 1 1 279.449 3.234 20 30 CGEDMO C[C@H](CS)OC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001224827538 816891007 /nfs/dbraw/zinc/89/10/07/816891007.db2.gz VZCJSBPNIAKBGC-ZBFHGGJFSA-N 1 1 279.449 3.234 20 30 CGEDMO C(#CC1CC1)CO[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001224850166 816894335 /nfs/dbraw/zinc/89/43/35/816894335.db2.gz LFOVLANNYVNAHB-PMOLBWCYSA-N 1 1 295.426 3.327 20 30 CGEDMO Cc1c(C)c(O[C@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)ccc1C#N ZINC001225513640 817081405 /nfs/dbraw/zinc/08/14/05/817081405.db2.gz QLMBPMYLDXAGCE-VQFNDLOPSA-N 1 1 284.403 3.284 20 30 CGEDMO N#Cc1cc(Cl)cc(OC2CC[NH+](CCF)CC2)c1 ZINC001225696915 817145918 /nfs/dbraw/zinc/14/59/18/817145918.db2.gz AGEHKWPYSDMGTH-UHFFFAOYSA-N 1 1 282.746 3.024 20 30 CGEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc(Cl)cc(C#N)c1)C2 ZINC001225697715 817146706 /nfs/dbraw/zinc/14/67/06/817146706.db2.gz MLZFBAMDEGIQGK-NHAGDIPZSA-N 1 1 276.767 3.216 20 30 CGEDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1c(O)cccc1C#N)C2 ZINC001226520478 817383683 /nfs/dbraw/zinc/38/36/83/817383683.db2.gz OOECKIKPRWAWES-FICVDOATSA-N 1 1 286.375 3.046 20 30 CGEDMO Cc1cc(C#N)cc(C)c1O[C@H]1[C@@H]2CCC[C@H]1C[N@H+](C)C2 ZINC001226528560 817388713 /nfs/dbraw/zinc/38/87/13/817388713.db2.gz XTLFJRDVLRKTCT-VQFNDLOPSA-N 1 1 284.403 3.284 20 30 CGEDMO C[N@H+]1CCC[C@H](Oc2ccc(C(F)(F)F)cc2C#N)C1 ZINC001226999388 817530531 /nfs/dbraw/zinc/53/05/31/817530531.db2.gz OBLRCFBEUPRQNG-LBPRGKRZSA-N 1 1 284.281 3.050 20 30 CGEDMO C[N@H+]1CCC[C@@H](Oc2ccc(C(F)(F)F)cc2C#N)CC1 ZINC001226999507 817530780 /nfs/dbraw/zinc/53/07/80/817530780.db2.gz QKSPDPAHZZPNQD-CYBMUJFWSA-N 1 1 298.308 3.440 20 30 CGEDMO C=CCc1ccc(O[C@@H]2CCC[N@@H+](C)CC2)c(OC)c1 ZINC001227926595 817756053 /nfs/dbraw/zinc/75/60/53/817756053.db2.gz GQUCVBFBZKMYMM-OAHLLOKOSA-N 1 1 275.392 3.287 20 30 CGEDMO C=CCc1ccc(O[C@H]2CCc3[nH+]ccn3C2)c(OC)c1 ZINC001227927010 817757166 /nfs/dbraw/zinc/75/71/66/817757166.db2.gz OKSPVKOELFKWPB-AWEZNQCLSA-N 1 1 284.359 3.014 20 30 CGEDMO C#C[C@H](CC)Oc1ccc(Br)c(C[NH+](C)C)c1 ZINC001228545478 817934673 /nfs/dbraw/zinc/93/46/73/817934673.db2.gz IVBJZOBJXLVFPE-GFCCVEGCSA-N 1 1 296.208 3.301 20 30 CGEDMO CCCc1cc(C)nc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C#N ZINC001228601603 817950238 /nfs/dbraw/zinc/95/02/38/817950238.db2.gz KZRVDZZGZPVNSG-ZSHCYNCHSA-N 1 1 299.418 3.218 20 30 CGEDMO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1Cc1csc(C)c1 ZINC001231169121 818049840 /nfs/dbraw/zinc/04/98/40/818049840.db2.gz DGJZQMDRTBSPHD-OAHLLOKOSA-N 1 1 292.448 3.055 20 30 CGEDMO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1Cc1csc(C)c1 ZINC001231169121 818049847 /nfs/dbraw/zinc/04/98/47/818049847.db2.gz DGJZQMDRTBSPHD-OAHLLOKOSA-N 1 1 292.448 3.055 20 30 CGEDMO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC/C=C\CCC ZINC001231169956 818050403 /nfs/dbraw/zinc/05/04/03/818050403.db2.gz LRZMMXKKNWIHJE-HLRDLLSLSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)c1cccc(F)c1 ZINC001231398071 818091081 /nfs/dbraw/zinc/09/10/81/818091081.db2.gz VDBPMYHZIXHADH-AWEZNQCLSA-N 1 1 292.398 3.232 20 30 CGEDMO Cc1c(F)ccc(C[N@@H+]2CCC[C@H](C#N)CC2)c1F ZINC001231477576 818105686 /nfs/dbraw/zinc/10/56/86/818105686.db2.gz LMCTXBWVZRXQAQ-LBPRGKRZSA-N 1 1 264.319 3.399 20 30 CGEDMO Cc1c(F)ccc(C[N@H+]2CCC[C@H](C#N)CC2)c1F ZINC001231477576 818105689 /nfs/dbraw/zinc/10/56/89/818105689.db2.gz LMCTXBWVZRXQAQ-LBPRGKRZSA-N 1 1 264.319 3.399 20 30 CGEDMO C#Cc1cccc(C[N@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)c1 ZINC001231657397 818149903 /nfs/dbraw/zinc/14/99/03/818149903.db2.gz JVEKOSJKRUVDDB-OALUTQOASA-N 1 1 287.362 3.080 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CCC[C@@H]2Cc2ccccn2)c1 ZINC001231659128 818150662 /nfs/dbraw/zinc/15/06/62/818150662.db2.gz GYYKTSVNNAPNRF-LJQANCHMSA-N 1 1 276.383 3.270 20 30 CGEDMO C=CC[N@H+](Cc1nc(C)ccc1O)C1CCCCC1 ZINC001231674735 818156723 /nfs/dbraw/zinc/15/67/23/818156723.db2.gz GOZMFYBNEPDIJG-UHFFFAOYSA-N 1 1 260.381 3.416 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2c(Cl)cc(OC)cc2OC)C1 ZINC001231699793 818158477 /nfs/dbraw/zinc/15/84/77/818158477.db2.gz QUSFKGSHGMYUJU-GFCCVEGCSA-N 1 1 293.794 3.202 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2c(Cl)cc(OC)cc2OC)C1 ZINC001231699793 818158481 /nfs/dbraw/zinc/15/84/81/818158481.db2.gz QUSFKGSHGMYUJU-GFCCVEGCSA-N 1 1 293.794 3.202 20 30 CGEDMO C=CC[N@H+](Cc1cc(F)cnc1OC)C(C)(C)C ZINC001231741354 818165559 /nfs/dbraw/zinc/16/55/59/818165559.db2.gz BUYYNGLCBJNJSK-UHFFFAOYSA-N 1 1 252.333 3.016 20 30 CGEDMO CC1CC([N@@H+](C)Cc2ccc(N(C)CCC#N)cc2)C1 ZINC001231816500 818184953 /nfs/dbraw/zinc/18/49/53/818184953.db2.gz PECNGFAFDMUKMI-UHFFFAOYSA-N 1 1 271.408 3.267 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cccn2Cc2ccccc2)C1 ZINC001232233740 818288684 /nfs/dbraw/zinc/28/86/84/818288684.db2.gz MOPDYDYOZFIUDL-QGZVFWFLSA-N 1 1 278.399 3.382 20 30 CGEDMO COc1cc(O)c(C[N@H+]2CCC[C@@H](CC#N)C2)cc1Cl ZINC001232269501 818299809 /nfs/dbraw/zinc/29/98/09/818299809.db2.gz CHCNARPSZNDAEM-NSHDSACASA-N 1 1 294.782 3.180 20 30 CGEDMO CC[N@H+]1CCN(Cc2ccc(Cl)cc2C#N)C(C)(C)C1 ZINC001232608624 818393409 /nfs/dbraw/zinc/39/34/09/818393409.db2.gz PYCMJIWFJDDEOK-UHFFFAOYSA-N 1 1 291.826 3.128 20 30 CGEDMO C[N@@H+](CCc1cccnc1)Cc1ccc(Cl)cc1C#N ZINC001232609267 818393470 /nfs/dbraw/zinc/39/34/70/818393470.db2.gz SJAJQNIRKYCGCV-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO CNc1ccccc1C[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001232669122 818413679 /nfs/dbraw/zinc/41/36/79/818413679.db2.gz UBGJJESUOVKNJP-UHFFFAOYSA-N 1 1 277.371 3.158 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cc(C#N)ccc1[O-] ZINC001232679072 818417110 /nfs/dbraw/zinc/41/71/10/818417110.db2.gz ZMEJGQCRNJPBJT-UHFFFAOYSA-N 1 1 278.355 3.452 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cccc3ncsc32)C1 ZINC001232732414 818425214 /nfs/dbraw/zinc/42/52/14/818425214.db2.gz HGPJQRGNONDUIJ-GFCCVEGCSA-N 1 1 271.389 3.422 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)c(OC)cc1C ZINC001232833106 818452068 /nfs/dbraw/zinc/45/20/68/818452068.db2.gz SDKHQDRZIASOCO-AWEZNQCLSA-N 1 1 288.391 3.138 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](OCc3ccccc3)C2)s1 ZINC001232844049 818454302 /nfs/dbraw/zinc/45/43/02/818454302.db2.gz MHCMZEWEEXXRLS-OAHLLOKOSA-N 1 1 298.411 3.411 20 30 CGEDMO N#CCC1C[NH+](Cc2ccc(-c3cccc(F)c3)nc2)C1 ZINC001232883697 818463802 /nfs/dbraw/zinc/46/38/02/818463802.db2.gz UUYZMIZIOVVOTE-UHFFFAOYSA-N 1 1 281.334 3.233 20 30 CGEDMO C=CC[NH+]1CCN(Cc2cncc(-c3ccccc3)c2)CC1 ZINC001232902107 818468018 /nfs/dbraw/zinc/46/80/18/818468018.db2.gz YMJBTJFIVURSKL-UHFFFAOYSA-N 1 1 293.414 3.052 20 30 CGEDMO C=CCN1CC[NH+](Cc2cncc(-c3ccccc3)c2)CC1 ZINC001232902107 818468023 /nfs/dbraw/zinc/46/80/23/818468023.db2.gz YMJBTJFIVURSKL-UHFFFAOYSA-N 1 1 293.414 3.052 20 30 CGEDMO CC(C)[N@H+](Cc1[nH]ccc1C#N)Cc1ccccc1 ZINC001233043309 818508559 /nfs/dbraw/zinc/50/85/59/818508559.db2.gz OHOYBCHSEFOPBO-UHFFFAOYSA-N 1 1 253.349 3.297 20 30 CGEDMO CC(C)[N@@H+](Cc1[nH]ccc1C#N)Cc1ccccc1 ZINC001233043309 818508563 /nfs/dbraw/zinc/50/85/63/818508563.db2.gz OHOYBCHSEFOPBO-UHFFFAOYSA-N 1 1 253.349 3.297 20 30 CGEDMO COCOc1cccc(C[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC001233283144 818565229 /nfs/dbraw/zinc/56/52/29/818565229.db2.gz TWOHPDRJUIKANR-UHFFFAOYSA-N 1 1 296.370 3.173 20 30 CGEDMO C[N@H+]1CC[C@@H](Oc2cccc(-c3ccc(C#N)cc3)c2)C1 ZINC001233513585 818631087 /nfs/dbraw/zinc/63/10/87/818631087.db2.gz ZFAJNKASYXSYEY-GOSISDBHSA-N 1 1 278.355 3.308 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCCNC(=O)c1cccc(C)c1 ZINC001233528226 818633547 /nfs/dbraw/zinc/63/35/47/818633547.db2.gz QDCVPJVGSHOYOJ-UHFFFAOYSA-N 1 1 274.408 3.013 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](Oc2cc(C#N)cc(C(F)(F)F)c2)C1 ZINC001233657571 818672281 /nfs/dbraw/zinc/67/22/81/818672281.db2.gz ZOBDQBAEKKNUGX-CYBMUJFWSA-N 1 1 298.308 3.439 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)CCc1ccco1 ZINC001233855016 818718495 /nfs/dbraw/zinc/71/84/95/818718495.db2.gz CRCVXCRZZWWKKT-HNNXBMFYSA-N 1 1 292.423 3.005 20 30 CGEDMO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@@H](C)c1ccccc1 ZINC001233947259 818737131 /nfs/dbraw/zinc/73/71/31/818737131.db2.gz JVNUJDPOIDEERD-FUHWJXTLSA-N 1 1 298.430 3.084 20 30 CGEDMO C=CC(C)(C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1CC/C=C/CC ZINC001234537297 818876811 /nfs/dbraw/zinc/87/68/11/818876811.db2.gz MLPABYSAQVLDIQ-FDMDGMSGSA-N 1 1 292.467 3.478 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc3cccc(F)c3[nH]2)C1 ZINC001235249781 819048449 /nfs/dbraw/zinc/04/84/49/819048449.db2.gz VNLJWGLHRUTQML-LBPRGKRZSA-N 1 1 256.324 3.152 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCNC(=O)C[C@H](C)CCC ZINC001235365031 819080184 /nfs/dbraw/zinc/08/01/84/819080184.db2.gz QKQGKOQEDSWJKC-GFCCVEGCSA-N 1 1 274.836 3.003 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCNC(=O)C[C@H](C)CCC ZINC001235365031 819080191 /nfs/dbraw/zinc/08/01/91/819080191.db2.gz QKQGKOQEDSWJKC-GFCCVEGCSA-N 1 1 274.836 3.003 20 30 CGEDMO C=CC[N@@H+](Cc1ncc(Cl)cn1)C1CCCCC1 ZINC001235427439 819094603 /nfs/dbraw/zinc/09/46/03/819094603.db2.gz UOADFNUSBHZSKU-UHFFFAOYSA-N 1 1 265.788 3.451 20 30 CGEDMO C=CC[N@H+](Cc1ncc(Cl)cn1)C1CCCCC1 ZINC001235427439 819094607 /nfs/dbraw/zinc/09/46/07/819094607.db2.gz UOADFNUSBHZSKU-UHFFFAOYSA-N 1 1 265.788 3.451 20 30 CGEDMO Cc1ncccc1C[N@H+](C)Cc1ccccc1CC#N ZINC001235525574 819114113 /nfs/dbraw/zinc/11/41/13/819114113.db2.gz OSJYEOPBUALDAI-UHFFFAOYSA-N 1 1 265.360 3.088 20 30 CGEDMO CC1(C#N)CC[NH+](Cc2c[nH]c3cnc(Cl)cc23)CC1 ZINC001235521686 819114935 /nfs/dbraw/zinc/11/49/35/819114935.db2.gz RSOICXGXFNPORP-UHFFFAOYSA-N 1 1 288.782 3.342 20 30 CGEDMO N#Cc1cc(F)c(C[N@@H+]2CC[C@@H](c3cccnc3)C2)c(F)c1 ZINC001235659715 819130148 /nfs/dbraw/zinc/13/01/48/819130148.db2.gz YQJCPSSFQKSRFP-CQSZACIVSA-N 1 1 299.324 3.221 20 30 CGEDMO N#Cc1cc(F)c(C[N@H+]2CC[C@@H](c3cccnc3)C2)c(F)c1 ZINC001235659715 819130150 /nfs/dbraw/zinc/13/01/50/819130150.db2.gz YQJCPSSFQKSRFP-CQSZACIVSA-N 1 1 299.324 3.221 20 30 CGEDMO N#Cc1cc(F)c(C[NH+]2CCC3(CC3)CC2)c(F)c1 ZINC001235652389 819130375 /nfs/dbraw/zinc/13/03/75/819130375.db2.gz WGFSDRHQFYZPHJ-UHFFFAOYSA-N 1 1 262.303 3.212 20 30 CGEDMO N#CCC[N@@H+](CCCCCO)Cc1ccc(Cl)cc1 ZINC001235963870 819252784 /nfs/dbraw/zinc/25/27/84/819252784.db2.gz VCXPEZYMZSHTFY-UHFFFAOYSA-N 1 1 280.799 3.218 20 30 CGEDMO N#CCC[N@H+](CCCCCO)Cc1ccc(Cl)cc1 ZINC001235963870 819252792 /nfs/dbraw/zinc/25/27/92/819252792.db2.gz VCXPEZYMZSHTFY-UHFFFAOYSA-N 1 1 280.799 3.218 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCN[C@@H](CCC)C2)CC1 ZINC001236176885 819356141 /nfs/dbraw/zinc/35/61/41/819356141.db2.gz MATNHFSYLOGWAU-SJORKVTESA-N 1 1 262.441 3.363 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCN[C@@H](CCC)C2)CC1 ZINC001236176885 819356147 /nfs/dbraw/zinc/35/61/47/819356147.db2.gz MATNHFSYLOGWAU-SJORKVTESA-N 1 1 262.441 3.363 20 30 CGEDMO C=CCN1CC[NH+](Cc2cc3ccccc3cc2OC)CC1 ZINC001236676421 819567506 /nfs/dbraw/zinc/56/75/06/819567506.db2.gz ZZTBFJWPYJFXAE-UHFFFAOYSA-N 1 1 296.414 3.152 20 30 CGEDMO C=CC[NH+]1CCN(Cc2cc3ccccc3cc2OC)CC1 ZINC001236676421 819567509 /nfs/dbraw/zinc/56/75/09/819567509.db2.gz ZZTBFJWPYJFXAE-UHFFFAOYSA-N 1 1 296.414 3.152 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(O)cc2OC(F)(F)F)C1 ZINC001236730160 819583682 /nfs/dbraw/zinc/58/36/82/819583682.db2.gz JMTNFQAKQNGTOF-LLVKDONJSA-N 1 1 299.292 3.136 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(O)cc2OC(F)(F)F)C1 ZINC001236730160 819583688 /nfs/dbraw/zinc/58/36/88/819583688.db2.gz JMTNFQAKQNGTOF-LLVKDONJSA-N 1 1 299.292 3.136 20 30 CGEDMO CCc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)c(O)c1 ZINC001236795637 819597823 /nfs/dbraw/zinc/59/78/23/819597823.db2.gz XINWRHSWIJFCIT-CQSZACIVSA-N 1 1 258.365 3.080 20 30 CGEDMO COc1cc(C[NH+]2CCC(CC#N)CC2)c(F)cc1F ZINC001236835297 819614756 /nfs/dbraw/zinc/61/47/56/819614756.db2.gz QUANHQHQVFJUNB-UHFFFAOYSA-N 1 1 280.318 3.099 20 30 CGEDMO C=CC[N@@H+](C)Cc1ccc(-n2ccnc2)cc1Cl ZINC001236916860 819636984 /nfs/dbraw/zinc/63/69/84/819636984.db2.gz QDJHXHCXAHRRGQ-UHFFFAOYSA-N 1 1 261.756 3.144 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(-n2ccnc2)cc1Cl ZINC001236916860 819636987 /nfs/dbraw/zinc/63/69/87/819636987.db2.gz QDJHXHCXAHRRGQ-UHFFFAOYSA-N 1 1 261.756 3.144 20 30 CGEDMO C=CCNCC[N@@H+]1CCC[C@@H](CCc2ccccc2)C1 ZINC001236951644 819638581 /nfs/dbraw/zinc/63/85/81/819638581.db2.gz YSTYFQJFKLXCTO-SFHVURJKSA-N 1 1 272.436 3.107 20 30 CGEDMO C=CCNCC[N@H+]1CCC[C@@H](CCc2ccccc2)C1 ZINC001236951644 819638583 /nfs/dbraw/zinc/63/85/83/819638583.db2.gz YSTYFQJFKLXCTO-SFHVURJKSA-N 1 1 272.436 3.107 20 30 CGEDMO C[N@H+](Cc1ccccc1O)Cc1cc(C#N)c(F)cc1F ZINC001237531274 819773998 /nfs/dbraw/zinc/77/39/98/819773998.db2.gz YLAAJYJJGBWHTH-UHFFFAOYSA-N 1 1 288.297 3.174 20 30 CGEDMO C[N@@H+](Cc1ccccc1O)Cc1cc(C#N)c(F)cc1F ZINC001237531274 819774002 /nfs/dbraw/zinc/77/40/02/819774002.db2.gz YLAAJYJJGBWHTH-UHFFFAOYSA-N 1 1 288.297 3.174 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CCc3cccc(O)c3C2)c1 ZINC001237753560 819837287 /nfs/dbraw/zinc/83/72/87/819837287.db2.gz LWQDAWSHJGCFBQ-UHFFFAOYSA-N 1 1 298.773 3.476 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCc3cccc(O)c3C2)c1 ZINC001237753560 819837291 /nfs/dbraw/zinc/83/72/91/819837291.db2.gz LWQDAWSHJGCFBQ-UHFFFAOYSA-N 1 1 298.773 3.476 20 30 CGEDMO CCCCCCC[N@H+](C)Cc1c(N)ccnc1F ZINC001238157682 819945761 /nfs/dbraw/zinc/94/57/61/819945761.db2.gz XHDFVWGCSWDVND-UHFFFAOYSA-N 1 1 253.365 3.205 20 30 CGEDMO CCCCCCC[N@@H+](C)Cc1c(N)ccnc1F ZINC001238157682 819945764 /nfs/dbraw/zinc/94/57/64/819945764.db2.gz XHDFVWGCSWDVND-UHFFFAOYSA-N 1 1 253.365 3.205 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@]3(CCOC3)C2)ccc1Cl ZINC001238188698 819950631 /nfs/dbraw/zinc/95/06/31/819950631.db2.gz HJZYOPMCURLQBZ-INIZCTEOSA-N 1 1 290.794 3.214 20 30 CGEDMO C[N@H+](Cc1ccc(Cl)c(C#N)c1)CC1CCOCC1 ZINC001238189390 819951548 /nfs/dbraw/zinc/95/15/48/819951548.db2.gz QEGMZPZUEKBUCW-UHFFFAOYSA-N 1 1 278.783 3.070 20 30 CGEDMO CC(C)[N@H+]1CCN(Cc2ccc(Cl)c(C#N)c2)C[C@@H]1C ZINC001238196334 819954078 /nfs/dbraw/zinc/95/40/78/819954078.db2.gz QJPOZBFYRITTFR-ZDUSSCGKSA-N 1 1 291.826 3.126 20 30 CGEDMO COc1cc(C[N@H+]2CCCC[C@](C)(F)C2)ccc1C#N ZINC001238411039 819987800 /nfs/dbraw/zinc/98/78/00/819987800.db2.gz XLRJXGXAIQOFCA-INIZCTEOSA-N 1 1 276.355 3.281 20 30 CGEDMO CC(C)Oc1cncc(C[N@H+](C)Cc2cccc(C#N)c2)c1 ZINC001238466459 820010323 /nfs/dbraw/zinc/01/03/23/820010323.db2.gz ZGMMABVRNKNXGZ-UHFFFAOYSA-N 1 1 295.386 3.372 20 30 CGEDMO CC(C)Oc1cncc(C[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC001238466459 820010334 /nfs/dbraw/zinc/01/03/34/820010334.db2.gz ZGMMABVRNKNXGZ-UHFFFAOYSA-N 1 1 295.386 3.372 20 30 CGEDMO CCc1cc(C[N@H+]2CCCC[C@H](F)C2)ccc1C#N ZINC001238766532 820111196 /nfs/dbraw/zinc/11/11/96/820111196.db2.gz OPNBHIVHVKDNQI-INIZCTEOSA-N 1 1 260.356 3.445 20 30 CGEDMO CCc1cc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)ccc1C#N ZINC001238767322 820112413 /nfs/dbraw/zinc/11/24/13/820112413.db2.gz TVWRMSTYCQMWEM-QZTJIDSGSA-N 1 1 284.403 3.122 20 30 CGEDMO CCc1cc(C[N@H+]2C[C@@H](C)CC23CC3)ccc1C#N ZINC001238768376 820112539 /nfs/dbraw/zinc/11/25/39/820112539.db2.gz IGMRRTCFRIPAQD-ZDUSSCGKSA-N 1 1 254.377 3.495 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1-c1cc(F)cc(CC#N)c1 ZINC001241252697 821673716 /nfs/dbraw/zinc/67/37/16/821673716.db2.gz YUYFJWROBXUKJD-UHFFFAOYSA-N 1 1 269.323 3.328 20 30 CGEDMO C[N@H+]1CC=C(c2cc(/C=N/O)cc(C(F)(F)F)c2)CC1 ZINC001241330496 821738384 /nfs/dbraw/zinc/73/83/84/821738384.db2.gz TWCKHQHKADEGLW-GIJQJNRQSA-N 1 1 284.281 3.232 20 30 CGEDMO C[N@@H+]1CC=C(c2cc(/C=N/O)cc(C(F)(F)F)c2)CC1 ZINC001241330496 821738391 /nfs/dbraw/zinc/73/83/91/821738391.db2.gz TWCKHQHKADEGLW-GIJQJNRQSA-N 1 1 284.281 3.232 20 30 CGEDMO C[N@H+]1CC[C@@H](c2ccc(-c3cncc(C#N)c3)cc2)C1 ZINC001242275909 822934039 /nfs/dbraw/zinc/93/40/39/822934039.db2.gz GRIXQAJQUSKXRT-MRXNPFEDSA-N 1 1 263.344 3.039 20 30 CGEDMO C#Cc1ccc(-c2cc(C[NH+]3CCOCC3)ccc2C)cc1 ZINC001242296390 822942354 /nfs/dbraw/zinc/94/23/54/822942354.db2.gz HATISUBTVKPRAU-UHFFFAOYSA-N 1 1 291.394 3.476 20 30 CGEDMO N#Cc1cc(Cl)cc(-c2cc[nH+]c3c2CCN3)c1 ZINC001242571847 823038604 /nfs/dbraw/zinc/03/86/04/823038604.db2.gz WYTQRSMHMMROLA-UHFFFAOYSA-N 1 1 255.708 3.242 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)CCC(C)C)C[C@H]1C ZINC001328220755 935125645 /nfs/dbraw/zinc/12/56/45/935125645.db2.gz CYWWXZNORKUHFP-HZPDHXFCSA-N 1 1 280.456 3.358 20 30 CGEDMO CC[C@@H](NCCC[NH+]1CCCC1)c1cccc(C#N)c1 ZINC001339195473 936358443 /nfs/dbraw/zinc/35/84/43/936358443.db2.gz QGRUJPHBLYHGLI-QGZVFWFLSA-N 1 1 271.408 3.085 20 30 CGEDMO C=CCn1cnn(C[N@H+]2CCC[C@@H](C)[C@@H]2CCC)c1=S ZINC001339605878 936379627 /nfs/dbraw/zinc/37/96/27/936379627.db2.gz WDQFHDJSLNBIHO-KGLIPLIRSA-N 1 1 294.468 3.458 20 30 CGEDMO C=CCn1cnn(C[N@@H+]2CCC[C@@H](C)[C@@H]2CCC)c1=S ZINC001339605878 936379632 /nfs/dbraw/zinc/37/96/32/936379632.db2.gz WDQFHDJSLNBIHO-KGLIPLIRSA-N 1 1 294.468 3.458 20 30 CGEDMO C#CCCCCCC[N@@H+]1C[C@H](SC)[C@@H](N2CCCC2)C1 ZINC001341080539 936427493 /nfs/dbraw/zinc/42/74/93/936427493.db2.gz YYWJWQAQAXTDQT-IRXDYDNUSA-N 1 1 294.508 3.082 20 30 CGEDMO C#CCCCCCCN1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC001341080539 936427495 /nfs/dbraw/zinc/42/74/95/936427495.db2.gz YYWJWQAQAXTDQT-IRXDYDNUSA-N 1 1 294.508 3.082 20 30 CGEDMO C=C/C(C)=C/CC(=O)N(C)C[C@H]1CC[N@H+]1CCC(=C)C ZINC001479237566 936459997 /nfs/dbraw/zinc/45/99/97/936459997.db2.gz TYJRBVZQFFLFMF-UBYXTUIOSA-N 1 1 276.424 3.008 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001479962271 936948856 /nfs/dbraw/zinc/94/88/56/936948856.db2.gz SCZQBNQDXIZPDS-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C2(CCC)CC2)C1 ZINC001479963898 936949642 /nfs/dbraw/zinc/94/96/42/936949642.db2.gz YOWFEAFZPVPOFJ-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO CCOc1ccc(C[N@@H+](C)CC2(CC#N)CC2)cc1OC ZINC001349635505 936955459 /nfs/dbraw/zinc/95/54/59/936955459.db2.gz BGELOHZPHCYFNR-UHFFFAOYSA-N 1 1 288.391 3.220 20 30 CGEDMO C=C(CC(C)C)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC001350899554 937002298 /nfs/dbraw/zinc/00/22/98/937002298.db2.gz OGWSIAAWQYIDES-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)o2)C1 ZINC001351273110 937012895 /nfs/dbraw/zinc/01/28/95/937012895.db2.gz JTSXFPGIZNEBOS-OAHLLOKOSA-N 1 1 284.359 3.119 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC001352864846 937051740 /nfs/dbraw/zinc/05/17/40/937051740.db2.gz VKZCFRHVYMIZEW-LBPRGKRZSA-N 1 1 262.401 3.079 20 30 CGEDMO C=C(C)C[N@@H+](C)CCNC(=O)[C@]1(C)CCC(C)=C(C)C1 ZINC001480954568 926835458 /nfs/dbraw/zinc/83/54/58/926835458.db2.gz DKWQSZHJRCXYOV-QGZVFWFLSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)C1(C)C(C)(C)C1(C)C ZINC001481021148 926860759 /nfs/dbraw/zinc/86/07/59/926860759.db2.gz DVIBRYNAKHKYRR-UHFFFAOYSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)C[C@@H]1C=CCCC1 ZINC001481045017 926872428 /nfs/dbraw/zinc/87/24/28/926872428.db2.gz GLHKSRZPERMTDY-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)C(CC)CC)C1 ZINC001481099996 926885215 /nfs/dbraw/zinc/88/52/15/926885215.db2.gz WHKZKUXJZFFWRL-LSDHHAIUSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1CC[N@H+](C[C@@H](C)CC)C1 ZINC001481112609 926887406 /nfs/dbraw/zinc/88/74/06/926887406.db2.gz LWZCMGQKAHWQDI-GJZGRUSLSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[N@@H+](CCC)CCNC(=O)c1ccccc1Cl ZINC001481152314 926896830 /nfs/dbraw/zinc/89/68/30/926896830.db2.gz MJIDXUJEMIWIJU-UHFFFAOYSA-N 1 1 294.826 3.358 20 30 CGEDMO C=C1CCC(C(=O)NCC[N@@H+](CC2CCC2)C2CC2)CC1 ZINC001481184989 926903005 /nfs/dbraw/zinc/90/30/05/926903005.db2.gz RGRJLOXPZSAYJT-UHFFFAOYSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+](CCNC(=O)C[C@H]1CC[C@H](C)C1)C1CC1 ZINC001481181847 926903561 /nfs/dbraw/zinc/90/35/61/926903561.db2.gz KCQGYKHRABOKFM-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+](CCNC(=O)C[C@@H]1CC[C@@H](C)C1)C1CC1 ZINC001481181848 926903647 /nfs/dbraw/zinc/90/36/47/926903647.db2.gz KCQGYKHRABOKFM-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)c1cscc1C)C(C)C ZINC001481346913 926962556 /nfs/dbraw/zinc/96/25/56/926962556.db2.gz HTDNRQUIXTWGPD-UHFFFAOYSA-N 1 1 294.464 3.463 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C/Cl ZINC001481384170 926972697 /nfs/dbraw/zinc/97/26/97/926972697.db2.gz DAMYWIYFWIGWBR-MTTRTBPJSA-N 1 1 296.842 3.016 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C/Cl ZINC001481384170 926972706 /nfs/dbraw/zinc/97/27/06/926972706.db2.gz DAMYWIYFWIGWBR-MTTRTBPJSA-N 1 1 296.842 3.016 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC=CCC2)C1 ZINC001481390147 926975026 /nfs/dbraw/zinc/97/50/26/926975026.db2.gz LXPDSXITVCRCBW-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC(=O)N(CCC)[C@@H]1CC[N@@H+](CC[C@H](C)F)C1 ZINC001481398420 926977990 /nfs/dbraw/zinc/97/79/90/926977990.db2.gz UCWYROZGXMSPOH-LSDHHAIUSA-N 1 1 284.419 3.014 20 30 CGEDMO C=CCC1(C(=O)NCC[C@H]2CC[N@H+](C(C)C)C2)CCCC1 ZINC001481465503 926994129 /nfs/dbraw/zinc/99/41/29/926994129.db2.gz UQCZKQCKLBLVNQ-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H](CC)CCCCC)C1 ZINC001481539453 927021957 /nfs/dbraw/zinc/02/19/57/927021957.db2.gz OHUOSFIFHWAWDV-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCCCC[NH+]1CC(NC(=O)c2cc(C)cs2)C1 ZINC001481556838 927026174 /nfs/dbraw/zinc/02/61/74/927026174.db2.gz VHLNWPCDQZAIGQ-UHFFFAOYSA-N 1 1 292.448 3.217 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)c2cc(C)c(C)o2)C1 ZINC001481553277 927026725 /nfs/dbraw/zinc/02/67/25/927026725.db2.gz GLLXLYQRISPVHX-UHFFFAOYSA-N 1 1 292.423 3.281 20 30 CGEDMO C=CCC[C@H](C)[NH+]1CC(NC(=O)c2csc(Cl)c2)C1 ZINC001481586231 927034655 /nfs/dbraw/zinc/03/46/55/927034655.db2.gz AHOOEHHKVBAZQE-JTQLQIEISA-N 1 1 298.839 3.170 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)CCCC ZINC001481664368 927051439 /nfs/dbraw/zinc/05/14/39/927051439.db2.gz LEUQRTIUGXYYEU-JYJNAYRXSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@H+]([C@H](C)c2cccc(C)c2)C1 ZINC001481686465 927058681 /nfs/dbraw/zinc/05/86/81/927058681.db2.gz XXGQHTPGDIQHGB-WBVHZDCISA-N 1 1 286.419 3.213 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)c2sccc2C)C1 ZINC001481711686 927069800 /nfs/dbraw/zinc/06/98/00/927069800.db2.gz NNUAGUGZAZFJCS-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCC1CCN(C(=O)CCC)CC1 ZINC001482499376 927271711 /nfs/dbraw/zinc/27/17/11/927271711.db2.gz NWXKYHPQMMHAFF-UHFFFAOYSA-N 1 1 286.847 3.100 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCCC[C@@H]1CC ZINC001482639643 927332548 /nfs/dbraw/zinc/33/25/48/927332548.db2.gz PSGVXHFIZGQSMW-JKSUJKDBSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[N@H+](C)CCN(C)C(=O)c1cccc(C2CCC2)c1 ZINC001482642345 927336094 /nfs/dbraw/zinc/33/60/94/927336094.db2.gz DRERGOBNZROKSK-UHFFFAOYSA-N 1 1 286.419 3.144 20 30 CGEDMO C=CCCC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CC2CCCC2)C1 ZINC001482657274 927336182 /nfs/dbraw/zinc/33/61/82/927336182.db2.gz KZIZQTOCKSEZRX-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)CC1CCCC1 ZINC001483306891 927477683 /nfs/dbraw/zinc/47/76/83/927477683.db2.gz KADQJGGBNYUAOG-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)c1sccc1CC ZINC001483421132 927503156 /nfs/dbraw/zinc/50/31/56/927503156.db2.gz PZUZQHFKICYSHC-CYBMUJFWSA-N 1 1 294.464 3.327 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCC1CC1 ZINC001483811533 927628627 /nfs/dbraw/zinc/62/86/27/927628627.db2.gz QEDAEPGVYIJAKP-SJORKVTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC=C(C)C ZINC001483826371 927630709 /nfs/dbraw/zinc/63/07/09/927630709.db2.gz XUPLZGNCCYTUHO-CALCHBBNSA-N 1 1 290.451 3.374 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)CCC)C2)C1 ZINC001483839382 927633941 /nfs/dbraw/zinc/63/39/41/927633941.db2.gz VLUMPKCSOIBVJZ-FUHWJXTLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@H](C)CC)C2)C1 ZINC001483838447 927634444 /nfs/dbraw/zinc/63/44/44/927634444.db2.gz GJSCACMEYDSIJG-FUHWJXTLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@@]2(CC[N@@H+](CCC3CC3)C2)C1 ZINC001483841016 927635663 /nfs/dbraw/zinc/63/56/63/927635663.db2.gz GYIPYNJINDIFCU-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@]1(C)CCC[N@@H+](CCCF)C1 ZINC001484169269 927686670 /nfs/dbraw/zinc/68/66/70/927686670.db2.gz ARSCYBNYFOSQAI-QGZVFWFLSA-N 1 1 298.446 3.167 20 30 CGEDMO CC#CCCCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCC ZINC001484463566 927710393 /nfs/dbraw/zinc/71/03/93/927710393.db2.gz QOTKGLAHNROKIK-IAGOWNOFSA-N 1 1 290.451 3.045 20 30 CGEDMO C=CC[N@H+](C)Cc1ccccc1CNC(=O)C(C)=C1CCC1 ZINC001484553439 927720044 /nfs/dbraw/zinc/72/00/44/927720044.db2.gz FAAWAIARLJVARL-UHFFFAOYSA-N 1 1 298.430 3.421 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CCC[N@H+](CCCC=C)CC1 ZINC001484724219 927741585 /nfs/dbraw/zinc/74/15/85/927741585.db2.gz VNIJZSHVIOBOLT-INIZCTEOSA-N 1 1 278.440 3.280 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)/C(C)=C/CC)CC1 ZINC001484707950 927742335 /nfs/dbraw/zinc/74/23/35/927742335.db2.gz IVXWEMHFUUICAE-TZWLIRKLSA-N 1 1 284.831 3.066 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CC(=C)C)CC1 ZINC001484722291 927745384 /nfs/dbraw/zinc/74/53/84/927745384.db2.gz UDTHEONEHXLACX-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)[C@@H](C)C(C)C)cc2C1 ZINC001484875521 927763241 /nfs/dbraw/zinc/76/32/41/927763241.db2.gz IIUAVVHWZMTWSD-AWEZNQCLSA-N 1 1 286.419 3.097 20 30 CGEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H](C)C(C)C)cc2C1 ZINC001484875521 927763247 /nfs/dbraw/zinc/76/32/47/927763247.db2.gz IIUAVVHWZMTWSD-AWEZNQCLSA-N 1 1 286.419 3.097 20 30 CGEDMO C=CCCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3C)cc2C1 ZINC001484874134 927763773 /nfs/dbraw/zinc/76/37/73/927763773.db2.gz GFDGZCNSIMZYEZ-RDTXWAMCSA-N 1 1 298.430 3.241 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C2CC(C)(C)C2)C[C@H]1C ZINC001484974531 927780539 /nfs/dbraw/zinc/78/05/39/927780539.db2.gz VHKDBSDOIFBQIT-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)CC1(C)CCCCC1 ZINC001485325838 927849495 /nfs/dbraw/zinc/84/94/95/927849495.db2.gz ASOMGKQXNAAWON-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H](C)[N@@H+](C)Cc1csc(C)c1 ZINC001485338537 927850849 /nfs/dbraw/zinc/85/08/49/927850849.db2.gz MKRVOJTXQXYVFR-GFCCVEGCSA-N 1 1 294.464 3.205 20 30 CGEDMO C=CC[C@H](C(=O)OC)[N@H+]1CC[C@H](C)C2(CCCCC2)C1 ZINC001473405822 937198551 /nfs/dbraw/zinc/19/85/51/937198551.db2.gz LSFXCEJYXYIEGO-LSDHHAIUSA-N 1 1 279.424 3.396 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@H](C)[N@H+](C)CCC(C)C ZINC001485356406 927855926 /nfs/dbraw/zinc/85/59/26/927855926.db2.gz LCWZDRUHRBYCPA-AWEZNQCLSA-N 1 1 268.445 3.071 20 30 CGEDMO CC#CC[N@@H+](C)[C@H](C)CNC(=O)c1ccccc1C1CCC1 ZINC001485379896 927858179 /nfs/dbraw/zinc/85/81/79/927858179.db2.gz VJSJEKGPFAYCTL-OAHLLOKOSA-N 1 1 298.430 3.028 20 30 CGEDMO C#CCCCC(=O)NC[C@H]1CCCCC[N@@H+]1CCCC=C ZINC001485476442 927877857 /nfs/dbraw/zinc/87/78/57/927877857.db2.gz ATYALLFRMVQPJC-QGZVFWFLSA-N 1 1 290.451 3.117 20 30 CGEDMO C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[C@H](C)CC ZINC001485482793 927878797 /nfs/dbraw/zinc/87/87/97/927878797.db2.gz PJTKLTYLOSZPEN-IAGOWNOFSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[N@H+](CCC2CCCC2)CC1(C)C ZINC001485563361 927888211 /nfs/dbraw/zinc/88/82/11/927888211.db2.gz LVSGVNLZLLMBIE-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)/C=C/C(C)(C)C)C1 ZINC001493997988 927889444 /nfs/dbraw/zinc/88/94/44/927889444.db2.gz SAVZISHHZKKSCF-DHINHOHASA-N 1 1 292.467 3.383 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCCCC)C[C@@H]2C1 ZINC001485656566 927895157 /nfs/dbraw/zinc/89/51/57/927895157.db2.gz DYFDBRMGVGQULN-GVDBMIGSSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCCCCCC[N@H+]1CCOCC2(CCOCC2)C1 ZINC000184088777 927929668 /nfs/dbraw/zinc/92/96/68/927929668.db2.gz AUGWHHVGHJGXEN-UHFFFAOYSA-N 1 1 283.456 3.476 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)CC(C)C)[C@@H]1C ZINC001486184157 927997637 /nfs/dbraw/zinc/99/76/37/927997637.db2.gz QSXZGQBKNZXIMN-LSDHHAIUSA-N 1 1 280.456 3.214 20 30 CGEDMO Cc1cccc2c1cc[nH+]c2NCc1ncc(C#N)s1 ZINC001161003057 928208902 /nfs/dbraw/zinc/20/89/02/928208902.db2.gz DBYGNCNRMPYAKY-UHFFFAOYSA-N 1 1 280.356 3.484 20 30 CGEDMO C#CC[N@@H+](C[C@@H]1CC[C@@H](c2ccccc2)O1)C(C)C ZINC001198027654 928269781 /nfs/dbraw/zinc/26/97/81/928269781.db2.gz RNDMUOUYVRZLAD-IRXDYDNUSA-N 1 1 257.377 3.250 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@]1(C)CC=C(C)CC1 ZINC001488693064 928293705 /nfs/dbraw/zinc/29/37/05/928293705.db2.gz ORSMXOJPBPZIOR-WMZOPIPTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)CCCC)[C@H]1CC ZINC001489113424 928312775 /nfs/dbraw/zinc/31/27/75/928312775.db2.gz BDCJYRWMNSEEGA-HRCADAONSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@H+](CC(=C)Cl)[C@@H]1CC ZINC001489133039 928312993 /nfs/dbraw/zinc/31/29/93/928312993.db2.gz OXYWXQUNUKQVRT-UONOGXRCSA-N 1 1 284.831 3.064 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@@H+](CC(=C)Cl)[C@@H]1CC ZINC001489133039 928313003 /nfs/dbraw/zinc/31/30/03/928313003.db2.gz OXYWXQUNUKQVRT-UONOGXRCSA-N 1 1 284.831 3.064 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CC[N@H+](CCC)[C@@H]1CC ZINC001489115998 928313200 /nfs/dbraw/zinc/31/32/00/928313200.db2.gz GWHURUAGXCSQIE-JKSUJKDBSA-N 1 1 278.440 3.134 20 30 CGEDMO C#CCCCCCC(=O)N[C@H]1CC[N@@H+](CC=C(C)C)[C@@H]1C ZINC001489282344 928324973 /nfs/dbraw/zinc/32/49/73/928324973.db2.gz FSJZCPGEKVLHRU-SJORKVTESA-N 1 1 290.451 3.115 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)CC1CCCCC1 ZINC001493143203 928326340 /nfs/dbraw/zinc/32/63/40/928326340.db2.gz TUKSRSWXRMTILK-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCC[N@H+](CC)CCCNC(=O)[C@@H]1CCCC[C@H]1CC ZINC001490351124 928345857 /nfs/dbraw/zinc/34/58/57/928345857.db2.gz COCPMFDVQIYBDU-IAGOWNOFSA-N 1 1 292.467 3.054 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCCNC(=O)[C@]1(C)C=CCC1 ZINC001490342226 928350692 /nfs/dbraw/zinc/35/06/92/928350692.db2.gz IFJODLFPFJNOMZ-QGZVFWFLSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCC[N@@H+](CC)CCCNC(=O)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001490360189 928354056 /nfs/dbraw/zinc/35/40/56/928354056.db2.gz SAVQDYVZCGBQRW-FVQHAEBGSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001490434140 928362711 /nfs/dbraw/zinc/36/27/11/928362711.db2.gz LRQQCRMTBJXAIO-HNNXBMFYSA-N 1 1 294.414 3.331 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001490553246 928370224 /nfs/dbraw/zinc/37/02/24/928370224.db2.gz POLVJOUTZOIXSF-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)/C(C)=C\CC)C1 ZINC001490752106 928384013 /nfs/dbraw/zinc/38/40/13/928384013.db2.gz JSVOFFKQZPPEKB-RNIVLKNTSA-N 1 1 292.467 3.479 20 30 CGEDMO C#CCCCOC(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC000120092614 928401187 /nfs/dbraw/zinc/40/11/87/928401187.db2.gz XYVNHQZOTBBGTI-INIZCTEOSA-N 1 1 273.376 3.026 20 30 CGEDMO C=CC[N@H+]1CCCN(C(=O)CCC2CCCCC2)CC1 ZINC000072252722 928799633 /nfs/dbraw/zinc/79/96/33/928799633.db2.gz GHVVWJJRWYUWMR-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO Cc1nc([C@@H]2CCC[N@H+]2CCCC(C)(C)C#N)[nH]c1C ZINC001308070703 928812508 /nfs/dbraw/zinc/81/25/08/928812508.db2.gz LCYFFIQMDBYYGU-AWEZNQCLSA-N 1 1 274.412 3.493 20 30 CGEDMO C=CCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=C)C ZINC001490976430 928822229 /nfs/dbraw/zinc/82/22/29/928822229.db2.gz IGGJCOLURWZYNG-MQVJKMGUSA-N 1 1 276.424 3.030 20 30 CGEDMO C[C@@H]1CC(=[NH+]n2cc(Br)cn2)C[C@@H](C)C1 ZINC000752746901 928827982 /nfs/dbraw/zinc/82/79/82/928827982.db2.gz LULJAXSVWRWIJV-IUCAKERBSA-N 1 1 270.174 3.306 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CC(CC)CC)C1 ZINC001491298808 928853609 /nfs/dbraw/zinc/85/36/09/928853609.db2.gz XKTDSVKUFVITLS-ZBFHGGJFSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC(C)(C)C=C)C1 ZINC001491286654 928854111 /nfs/dbraw/zinc/85/41/11/928854111.db2.gz KVBMWBICQKQAIQ-HZPDHXFCSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(CC)CC)C1 ZINC001491299749 928855309 /nfs/dbraw/zinc/85/53/09/928855309.db2.gz INSJFSOYAXCNIT-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(CC(C)C)C(=O)N1CC[N@@H+](C)C2(CCCCC2)C1 ZINC001449897757 937381658 /nfs/dbraw/zinc/38/16/58/937381658.db2.gz PZCFUARVIIRTTI-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO C[C@@H]1C[N@@H+](CCc2ccc(C#N)cc2)Cc2ccccc2O1 ZINC001460175191 937519665 /nfs/dbraw/zinc/51/96/65/937519665.db2.gz LMCCYYOCUQUWFL-OAHLLOKOSA-N 1 1 292.382 3.384 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@H]2CC2CCCC2)CCC1 ZINC001460313272 937526453 /nfs/dbraw/zinc/52/64/53/937526453.db2.gz BBHPTWHIIMGRRB-DLBZAZTESA-N 1 1 290.451 3.476 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@H](CC)C(=O)OC(C)(C)C)C1 ZINC001460364898 937528627 /nfs/dbraw/zinc/52/86/27/937528627.db2.gz VDSPOSOTOQIVQT-ZIAGYGMSSA-N 1 1 267.413 3.395 20 30 CGEDMO CCCCCCCCC[N@H+]1C[C@H](OC)C[C@@]1(C)CO ZINC001460617933 937536953 /nfs/dbraw/zinc/53/69/53/937536953.db2.gz IVICEIWNOJTQDO-CVEARBPZSA-N 1 1 271.445 3.209 20 30 CGEDMO C=CCCCC[N@H+](C)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC001460716212 937541800 /nfs/dbraw/zinc/54/18/00/937541800.db2.gz GQYMBOGPZPRIOX-MRXNPFEDSA-N 1 1 288.391 3.300 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1noc(-c2cncc(C)c2)n1 ZINC001460885771 937550510 /nfs/dbraw/zinc/55/05/10/937550510.db2.gz IJFYEIZNOXQGLS-OAHLLOKOSA-N 1 1 298.390 3.371 20 30 CGEDMO CC1(C)[C@@H]2C[N@H+](Cc3cc(C#N)ccc3Cl)C[C@@H]21 ZINC001140602075 931958678 /nfs/dbraw/zinc/95/86/78/931958678.db2.gz CDBIXKARWMHRJR-BETUJISGSA-N 1 1 260.768 3.299 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)ccc1Cl)C[C@@H]1CCCCO1 ZINC001140601223 931958739 /nfs/dbraw/zinc/95/87/39/931958739.db2.gz JINZGYDSFJDWKX-AWEZNQCLSA-N 1 1 278.783 3.213 20 30 CGEDMO C[N@H+](Cc1cc(C#N)ccc1Cl)C[C@@H]1CCCCO1 ZINC001140601223 931958745 /nfs/dbraw/zinc/95/87/45/931958745.db2.gz JINZGYDSFJDWKX-AWEZNQCLSA-N 1 1 278.783 3.213 20 30 CGEDMO N#CCCOCC[N@H+]1CCCCC12CCCCCC2 ZINC001460959990 937556195 /nfs/dbraw/zinc/55/61/95/937556195.db2.gz SZMVMHKDAABNIT-UHFFFAOYSA-N 1 1 264.413 3.496 20 30 CGEDMO Cc1cccc(C#N)c1O[C@H]1CCC[N@H+](C(C)C)C1 ZINC001229182415 932112860 /nfs/dbraw/zinc/11/28/60/932112860.db2.gz FVTCLOIIDKBIEL-HNNXBMFYSA-N 1 1 258.365 3.118 20 30 CGEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc(C#N)ccc1Cl)C2 ZINC001229248717 932122468 /nfs/dbraw/zinc/12/24/68/932122468.db2.gz OXWSTUMVHJMZGC-ITGUQSILSA-N 1 1 276.767 3.216 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C)o1 ZINC001230658532 932605283 /nfs/dbraw/zinc/60/52/83/932605283.db2.gz BKLCSKLMTNZADO-HIFRSBDPSA-N 1 1 290.407 3.089 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCC ZINC001230797783 932624599 /nfs/dbraw/zinc/62/45/99/932624599.db2.gz JQJKNMXHBCODTE-LSDHHAIUSA-N 1 1 266.429 3.064 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CSC(C)C ZINC001230823428 932627842 /nfs/dbraw/zinc/62/78/42/932627842.db2.gz HFDZPBNTZKLSRM-GJZGRUSLSA-N 1 1 298.496 3.015 20 30 CGEDMO N#C[C@H]1CC[C@@H]([NH2+]CC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC001254642967 932724329 /nfs/dbraw/zinc/72/43/29/932724329.db2.gz HZCIRWCDUIFNAO-GXSJLCMTSA-N 1 1 297.185 3.458 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)C(=C)C ZINC001316599702 932743748 /nfs/dbraw/zinc/74/37/48/932743748.db2.gz FDXXQBPJHRWOIZ-JKSUJKDBSA-N 1 1 292.467 3.476 20 30 CGEDMO C=CC[N@H+](CCOC)[C@H](C)c1nccc2ccccc21 ZINC001462192794 937623642 /nfs/dbraw/zinc/62/36/42/937623642.db2.gz SUCQXXANPMSRJH-CQSZACIVSA-N 1 1 270.376 3.430 20 30 CGEDMO C=CCC[C@H]([NH2+][C@@H](CC)[C@@H]1CC1(C)C)C(=O)OCC ZINC001462249217 937627693 /nfs/dbraw/zinc/62/76/93/937627693.db2.gz ODGJLKXNJIVMBP-IHRRRGAJSA-N 1 1 267.413 3.299 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1c(C)noc1CC ZINC001335628211 932778982 /nfs/dbraw/zinc/77/89/82/932778982.db2.gz OXMVHZWINVNHLH-UHFFFAOYSA-N 1 1 274.364 3.369 20 30 CGEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](CCC)CC(C)C)C1 ZINC001491965331 932800230 /nfs/dbraw/zinc/80/02/30/932800230.db2.gz JWWOSIDQBSFQGD-SJORKVTESA-N 1 1 292.467 3.005 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC001307680866 932985376 /nfs/dbraw/zinc/98/53/76/932985376.db2.gz YBOKBOQMUHEVBQ-JKSUJKDBSA-N 1 1 257.377 3.250 20 30 CGEDMO CCCCCCC[N@@H+]([C@@H](C)C(=O)OC)C1CCC1 ZINC001307678657 932985561 /nfs/dbraw/zinc/98/55/61/932985561.db2.gz DWIRRJXLHVZRHT-ZDUSSCGKSA-N 1 1 255.402 3.373 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)[C@H]1C=CCCCCC1 ZINC001307729695 932993378 /nfs/dbraw/zinc/99/33/78/932993378.db2.gz NZOWBAQGEVBICK-INIZCTEOSA-N 1 1 250.430 3.315 20 30 CGEDMO CCC1(CC)CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC001307929822 933021954 /nfs/dbraw/zinc/02/19/54/933021954.db2.gz ZWNUGEKIRGERGQ-UHFFFAOYSA-N 1 1 299.418 3.399 20 30 CGEDMO COc1ccc(C(C)(C)[NH2+]Cc2cc(C#N)ccn2)cc1F ZINC001307942875 933024284 /nfs/dbraw/zinc/02/42/84/933024284.db2.gz YXUZPEXRKYZKAV-UHFFFAOYSA-N 1 1 299.349 3.126 20 30 CGEDMO C#CCCCCCC[N@@H+]1CC[C@@](OC)(C(F)(F)F)C1 ZINC001308033304 933037780 /nfs/dbraw/zinc/03/77/80/933037780.db2.gz ODXDMLPDWLVGON-ZDUSSCGKSA-N 1 1 277.330 3.223 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1cc(OC)ns1 ZINC001308137042 933055445 /nfs/dbraw/zinc/05/54/45/933055445.db2.gz NJFLSOIZJSDQNF-LLVKDONJSA-N 1 1 252.383 3.082 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1c[nH]c(=O)c2ccccc12 ZINC001308139270 933056847 /nfs/dbraw/zinc/05/68/47/933056847.db2.gz DXGKCISGOKIVOV-ZDUSSCGKSA-N 1 1 254.333 3.091 20 30 CGEDMO C#C[C@H]1CCCC[N@@H+]1C[C@H](C)c1ccc(OC)cc1 ZINC001308142187 933057110 /nfs/dbraw/zinc/05/71/10/933057110.db2.gz PURRVMKBFVAUJJ-HOCLYGCPSA-N 1 1 257.377 3.286 20 30 CGEDMO C=CCOc1cccc(CNC[C@H](CC)[NH+]2CCCC2)c1 ZINC001308194937 933071001 /nfs/dbraw/zinc/07/10/01/933071001.db2.gz RYZRTMFZGKWVTN-KRWDZBQOSA-N 1 1 288.435 3.215 20 30 CGEDMO C#CC[N@@H+](Cc1cc(OCC)c(OC)cc1F)C(C)C ZINC001462628181 937655665 /nfs/dbraw/zinc/65/56/65/937655665.db2.gz DGUNDIVEHKTZBH-UHFFFAOYSA-N 1 1 279.355 3.077 20 30 CGEDMO C#CC[N@H+](Cc1cc(OCC)c(OC)cc1F)C(C)C ZINC001462628181 937655666 /nfs/dbraw/zinc/65/56/66/937655666.db2.gz DGUNDIVEHKTZBH-UHFFFAOYSA-N 1 1 279.355 3.077 20 30 CGEDMO C=CCN1CCC([NH2+]Cc2ncc(C(C)C)s2)CC1 ZINC001308246868 933079923 /nfs/dbraw/zinc/07/99/23/933079923.db2.gz IBFJHPWQOALPBM-UHFFFAOYSA-N 1 1 279.453 3.007 20 30 CGEDMO C=CC[N@@H+](Cc1cc(C#N)ccc1N(C)C)C(C)C ZINC001308584485 933138358 /nfs/dbraw/zinc/13/83/58/933138358.db2.gz IYWRESCJVRQPBX-UHFFFAOYSA-N 1 1 257.381 3.021 20 30 CGEDMO Cc1ccc(C[NH2+]Cc2cccc(F)c2O)cc1C#N ZINC001308934355 933207119 /nfs/dbraw/zinc/20/71/19/933207119.db2.gz KHAUXZDNBRSZHS-UHFFFAOYSA-N 1 1 270.307 3.001 20 30 CGEDMO C=CCCCCCCNC(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC001311401440 933294893 /nfs/dbraw/zinc/29/48/93/933294893.db2.gz RBWWMCIKEPMPRO-INIZCTEOSA-N 1 1 295.471 3.154 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](CCC)CC(C)C ZINC001317513269 933317518 /nfs/dbraw/zinc/31/75/18/933317518.db2.gz JEXDTVLFJWDOLJ-IRXDYDNUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCNC(=O)C(C)(CC)CC ZINC001316866655 933358952 /nfs/dbraw/zinc/35/89/52/933358952.db2.gz RFWADDDZGDJXIC-UHFFFAOYSA-N 1 1 274.836 3.003 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCNC(=O)C(C)(CC)CC ZINC001316866655 933358964 /nfs/dbraw/zinc/35/89/64/933358964.db2.gz RFWADDDZGDJXIC-UHFFFAOYSA-N 1 1 274.836 3.003 20 30 CGEDMO C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[C@@H](CC)C(C)C ZINC001316806896 933482910 /nfs/dbraw/zinc/48/29/10/933482910.db2.gz NSFMVEONVVHPCI-SJORKVTESA-N 1 1 292.467 3.005 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](CCCCC)C(C)C)[C@H]1C ZINC001316794654 933483590 /nfs/dbraw/zinc/48/35/90/933483590.db2.gz RNGOABHKNGKIMO-IKGGRYGDSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)c1sccc1C)C1CC1 ZINC001316912701 933493736 /nfs/dbraw/zinc/49/37/36/933493736.db2.gz VGXFDDQMZUEITF-UHFFFAOYSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](CCCC)C(C)C)C1 ZINC001316994941 933507944 /nfs/dbraw/zinc/50/79/44/933507944.db2.gz ROAYGVMMRYJHRJ-JKSUJKDBSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)C[C@H]2C=CCC2)C1 ZINC001317035365 933517711 /nfs/dbraw/zinc/51/77/11/933517711.db2.gz LAJGMYRXUMWVPG-DLBZAZTESA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@@H](C[N@H+](C)CC(=C)C)C1 ZINC001317037059 933517940 /nfs/dbraw/zinc/51/79/40/933517940.db2.gz LLUHHLYRIMMFQX-INIZCTEOSA-N 1 1 292.467 3.335 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCF ZINC001317098142 933529985 /nfs/dbraw/zinc/52/99/85/933529985.db2.gz PVOAMSYJFKATPA-HNSVSWJLSA-N 1 1 296.430 3.060 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)C2(CC)CCC2)C1 ZINC001317136256 933540681 /nfs/dbraw/zinc/54/06/81/933540681.db2.gz AXXLPTYJEPKZIK-AWEZNQCLSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)C2(CC)CCC2)C1 ZINC001317136256 933540696 /nfs/dbraw/zinc/54/06/96/933540696.db2.gz AXXLPTYJEPKZIK-AWEZNQCLSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCC[N@H+]1CC(=C)C ZINC001317178329 933546405 /nfs/dbraw/zinc/54/64/05/933546405.db2.gz LNJNPUIGGTWQOT-DOTOQJQBSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)CCCC(C)C ZINC001317177916 933547765 /nfs/dbraw/zinc/54/77/65/933547765.db2.gz JWGGSWADDZJJKR-MRXNPFEDSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@H]1CC=CCC1 ZINC001317173758 933548591 /nfs/dbraw/zinc/54/85/91/933548591.db2.gz NBLQTCVIVDPLNH-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@@H+]1CC(C)C ZINC001317199182 933551214 /nfs/dbraw/zinc/55/12/14/933551214.db2.gz QAIGFCVMLIRGEG-IRXDYDNUSA-N 1 1 292.467 3.454 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(CC)CC)C1 ZINC001317204294 933555199 /nfs/dbraw/zinc/55/51/99/933555199.db2.gz MFLHMAILDZULBD-HOTGVXAUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CCCF)C1 ZINC001317208491 933555548 /nfs/dbraw/zinc/55/55/48/933555548.db2.gz JYALOEIBTSJVJD-HUUCEWRRSA-N 1 1 298.446 3.165 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)C[C@H](C)C2CC2)C1 ZINC001317383538 933581165 /nfs/dbraw/zinc/58/11/65/933581165.db2.gz FKVUHXKPQZBHKC-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc2[nH]ccc2c1 ZINC001317457916 933595690 /nfs/dbraw/zinc/59/56/90/933595690.db2.gz GOVAUNDAQPMTEW-AWEZNQCLSA-N 1 1 299.418 3.184 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C1CCCC1 ZINC001317491504 933601571 /nfs/dbraw/zinc/60/15/71/933601571.db2.gz KDHGFJIOYPORBS-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)CC1(C)CCCCC1 ZINC001317485679 933601910 /nfs/dbraw/zinc/60/19/10/933601910.db2.gz WDLITXPZDJARNG-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)c1cccs1 ZINC001317511233 933607666 /nfs/dbraw/zinc/60/76/66/933607666.db2.gz XBWKZKTVAOCQOH-KBPBESRZSA-N 1 1 292.448 3.008 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)[C@H]1CCCC[C@@H]1C1CC1 ZINC001317542669 933614578 /nfs/dbraw/zinc/61/45/78/933614578.db2.gz HFWPXVMXNBRJFN-SJORKVTESA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@@H+](CCNC(=O)C(F)=C1CCCC1)C1CC1 ZINC001317550607 933616600 /nfs/dbraw/zinc/61/66/00/933616600.db2.gz KFNPHAULMYWGKU-UHFFFAOYSA-N 1 1 294.414 3.331 20 30 CGEDMO C=C(C)CCC(=O)NCC[N@@H+](Cc1ccccc1)C1CC1 ZINC001317552476 933617986 /nfs/dbraw/zinc/61/79/86/933617986.db2.gz VXJFXNRLJBFABG-UHFFFAOYSA-N 1 1 286.419 3.124 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)C1(F)CCCC1)C(C)C ZINC001317692745 933633876 /nfs/dbraw/zinc/63/38/76/933633876.db2.gz AVKOZBRMQFTCRI-UHFFFAOYSA-N 1 1 284.419 3.062 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001317772139 933647589 /nfs/dbraw/zinc/64/75/89/933647589.db2.gz LTLCLTIOCUOLKN-ULQDDVLXSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C1CCC(C(=O)N(CCC)[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC001317764001 933647932 /nfs/dbraw/zinc/64/79/32/933647932.db2.gz UUHRSBWJDYTTCJ-KRWDZBQOSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@H]1CCN(C(=O)/C(C)=C\CC)C1 ZINC001317830046 933656199 /nfs/dbraw/zinc/65/61/99/933656199.db2.gz FNHSUHRACYTGFG-DKJKAOOUSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001317943645 933667086 /nfs/dbraw/zinc/66/70/86/933667086.db2.gz OZFODBVWFWGINP-AEFFLSMTSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCCC(C)(C)C ZINC001318197433 933694543 /nfs/dbraw/zinc/69/45/43/933694543.db2.gz FMNYBCRIRRNUMN-GJZGRUSLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCCC(C)(C)C ZINC001318197433 933694550 /nfs/dbraw/zinc/69/45/50/933694550.db2.gz FMNYBCRIRRNUMN-GJZGRUSLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCCCC ZINC001318209610 933696299 /nfs/dbraw/zinc/69/62/99/933696299.db2.gz OULSRRHSBIWGRD-HOTGVXAUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2C=CCCC2)C1 ZINC001318411299 933722014 /nfs/dbraw/zinc/72/20/14/933722014.db2.gz CDRJHTHUXWHXMA-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC001473748916 937820344 /nfs/dbraw/zinc/82/03/44/937820344.db2.gz DWANDCNIDCWHCM-INIZCTEOSA-N 1 1 251.414 3.481 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC001320039025 933985047 /nfs/dbraw/zinc/98/50/47/933985047.db2.gz GEACUDMOUOYZHY-AWEZNQCLSA-N 1 1 290.388 3.180 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC001320039025 933985053 /nfs/dbraw/zinc/98/50/53/933985053.db2.gz GEACUDMOUOYZHY-AWEZNQCLSA-N 1 1 290.388 3.180 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cccc(OCCC)c2)C1 ZINC001320086700 933994886 /nfs/dbraw/zinc/99/48/86/933994886.db2.gz PBXVNZAMKPBART-KRWDZBQOSA-N 1 1 275.392 3.252 20 30 CGEDMO C=C/C(C)=C/CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CC(=C)C)C1 ZINC001320105004 934000855 /nfs/dbraw/zinc/00/08/55/934000855.db2.gz VSSXVWIFRXDJKE-LWNNDPPBSA-N 1 1 288.435 3.008 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC001320159690 934011524 /nfs/dbraw/zinc/01/15/24/934011524.db2.gz IFEZUCRCLJFTRX-CYBMUJFWSA-N 1 1 285.309 3.482 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](C[C@@H](CC)c2ccccc2)C1 ZINC001320378844 934038503 /nfs/dbraw/zinc/03/85/03/934038503.db2.gz LBNZRVRSVFEFCE-NVXWUHKLSA-N 1 1 259.393 3.457 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC001320379753 934041536 /nfs/dbraw/zinc/04/15/36/934041536.db2.gz ZQOQLYVVLFRCAX-MRXNPFEDSA-N 1 1 257.377 3.341 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](CC[C@@H](C)OCc2ccccc2)C1 ZINC001320793206 934104822 /nfs/dbraw/zinc/10/48/22/934104822.db2.gz PYQUXNPNYNIYGK-SJLPKXTDSA-N 1 1 289.419 3.259 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc(OCC)c(F)c2)C1 ZINC001320915244 934122924 /nfs/dbraw/zinc/12/29/24/934122924.db2.gz BQHHUMGAXGDLEH-CQSZACIVSA-N 1 1 279.355 3.001 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001321515929 934192315 /nfs/dbraw/zinc/19/23/15/934192315.db2.gz SRLPFRYYGYHWRY-YESZJQIVSA-N 1 1 290.451 3.088 20 30 CGEDMO CCCCCCCNC(=O)[C@@H]1CCCC[N@H+]1CCC ZINC001470384355 937752158 /nfs/dbraw/zinc/75/21/58/937752158.db2.gz IFSOBVVKRNPXJF-HNNXBMFYSA-N 1 1 268.445 3.338 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H](C)C[N@@H+](C)CC2=CCCCC2)C1 ZINC001322244165 934263164 /nfs/dbraw/zinc/26/31/64/934263164.db2.gz LWMWIZHGYMJGHP-OAHLLOKOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1CC[N@@H+]1CC1CCC(C)CC1 ZINC001323279465 934380224 /nfs/dbraw/zinc/38/02/24/934380224.db2.gz UNBAKPUUSAYEOI-GPANFISMSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]1CNC(=O)C1(CC=C)CCCCC1 ZINC001323358482 934389035 /nfs/dbraw/zinc/38/90/35/934389035.db2.gz UJXHCJINKVPDGO-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC([C@H]2CC[N@@H+](CC)C2)CC1 ZINC001323637717 934413429 /nfs/dbraw/zinc/41/34/29/934413429.db2.gz MVLKEVDCJHUKSH-WBVHZDCISA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](C2CCN(C(=O)CC)CC2)C1 ZINC001323627363 934413758 /nfs/dbraw/zinc/41/37/58/934413758.db2.gz BWUZABPXQJJYDX-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCO[C@H]1CC[N@H+]([C@H]2CCc3c2cccc3F)C1 ZINC001323729640 934422589 /nfs/dbraw/zinc/42/25/89/934422589.db2.gz PSDVJMMQRKOFQG-LRDDRELGSA-N 1 1 261.340 3.090 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC001323785877 934426259 /nfs/dbraw/zinc/42/62/59/934426259.db2.gz ONSOKERPPFRKCT-CQSZACIVSA-N 1 1 286.350 3.151 20 30 CGEDMO C=CCCC(=O)N1CC[C@]2(C1)CCC[N@H+](CCCCC)C2 ZINC001323798771 934427635 /nfs/dbraw/zinc/42/76/35/934427635.db2.gz DCERHALBPLINIM-GOSISDBHSA-N 1 1 292.467 3.457 20 30 CGEDMO C#CCOCC[N@H+](C)[C@@H](C)c1ccc(Br)cc1 ZINC001324102225 934459956 /nfs/dbraw/zinc/45/99/56/934459956.db2.gz PPYWHSOUSGLQSP-LBPRGKRZSA-N 1 1 296.208 3.092 20 30 CGEDMO C#CC[N@H+](C[C@@H](OC(C)C)c1ccccc1)CC1CC1 ZINC001324152815 934465917 /nfs/dbraw/zinc/46/59/17/934465917.db2.gz AOKNOPCQOHCJSZ-GOSISDBHSA-N 1 1 271.404 3.498 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cc(C)cc(Cl)c2)C1 ZINC001324276286 934479947 /nfs/dbraw/zinc/47/99/47/934479947.db2.gz PHHWDOHZRDYUIL-OAHLLOKOSA-N 1 1 265.784 3.425 20 30 CGEDMO C=CC[C@H]([NH2+][C@H](C)CC1CCCC1)C(=O)OCC ZINC001324625419 934533855 /nfs/dbraw/zinc/53/38/55/934533855.db2.gz NRMYJJRNHULCAT-OCCSQVGLSA-N 1 1 253.386 3.053 20 30 CGEDMO C#CCC[N@@H+]1CC[C@](C)(NC(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001324647819 934538691 /nfs/dbraw/zinc/53/86/91/934538691.db2.gz RFOANOHYKBNJMJ-QAPCUYQASA-N 1 1 292.467 3.053 20 30 CGEDMO C[C@@H](CNc1cc(F)ccc1C#N)[N@H+]1CCCC[C@@H]1C ZINC001472657255 937779612 /nfs/dbraw/zinc/77/96/12/937779612.db2.gz KKSSEVIYHNBPCP-STQMWFEESA-N 1 1 275.371 3.372 20 30 CGEDMO Cc1nc(NC[C@H]2CC[N@H+]2C2CCCCCC2)ccc1C#N ZINC001472857813 937786848 /nfs/dbraw/zinc/78/68/48/937786848.db2.gz PLXZQNIZTLZVJI-QGZVFWFLSA-N 1 1 298.434 3.471 20 30 CGEDMO C=C(CC)C[NH+]1CCN(C(=O)CCC2CCCCC2)CC1 ZINC001473114398 937793123 /nfs/dbraw/zinc/79/31/23/937793123.db2.gz AXHVGQAMLAQXKN-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO CCCCC[N@@H+](CCO)Cc1cc(Cl)cc(C#N)c1 ZINC001473157417 937794906 /nfs/dbraw/zinc/79/49/06/937794906.db2.gz FFTIRGGYKWZJIS-UHFFFAOYSA-N 1 1 280.799 3.196 20 30 CGEDMO C=CC[N@@H+](CC1CCCCC1)C[C@](C)(O)C(F)F ZINC001473163328 937795601 /nfs/dbraw/zinc/79/56/01/937795601.db2.gz LKVRUWSRIKSRMV-AWEZNQCLSA-N 1 1 261.356 3.071 20 30 CGEDMO COc1ccc(C[C@@H]2CC[N@H+]2Cc2cccc(C#N)c2)cc1 ZINC001473220113 937798148 /nfs/dbraw/zinc/79/81/48/937798148.db2.gz ZWRKTKALLAPAKV-SFHVURJKSA-N 1 1 292.382 3.384 20 30 CGEDMO CCC[C@@H]1[C@H](C)CCC[N@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001473245668 937798992 /nfs/dbraw/zinc/79/89/92/937798992.db2.gz VUFQCDRHKFVZAG-OLMNPRSZSA-N 1 1 286.419 3.492 20 30 CGEDMO N#Cc1ccc(C[N@@H+](C[C@H]2CC[C@@H](C3CC3)O2)C2CC2)cc1 ZINC001473304923 937801333 /nfs/dbraw/zinc/80/13/33/937801333.db2.gz TYHYNDMFDDCIMP-MOPGFXCFSA-N 1 1 296.414 3.480 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC001473454450 937807523 /nfs/dbraw/zinc/80/75/23/937807523.db2.gz RLMCHOGCAYUFOW-FQEVSTJZSA-N 1 1 298.474 3.429 20 30 CGEDMO COc1cc(C[NH2+]Cc2ccc(C#N)cc2F)ccc1F ZINC001324923231 934872436 /nfs/dbraw/zinc/87/24/36/934872436.db2.gz HZXXCQAHVDTKAS-UHFFFAOYSA-N 1 1 288.297 3.135 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)CCC2(C)CC2)C1 ZINC001324973203 934877915 /nfs/dbraw/zinc/87/79/15/934877915.db2.gz WAMZZWNJOZTLML-GOSISDBHSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC001325012890 934882124 /nfs/dbraw/zinc/88/21/24/934882124.db2.gz LSMRCDNFBALONQ-QGZVFWFLSA-N 1 1 257.377 3.341 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+]([C@@H](C)c2nc(-c3ccccc3)no2)C1 ZINC001325223356 934895675 /nfs/dbraw/zinc/89/56/75/934895675.db2.gz OBUUQAWJMGHERZ-DZGCQCFKSA-N 1 1 299.374 3.075 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+]([C@@H](C)c2nc(-c3ccccc3)no2)C1 ZINC001325223356 934895680 /nfs/dbraw/zinc/89/56/80/934895680.db2.gz OBUUQAWJMGHERZ-DZGCQCFKSA-N 1 1 299.374 3.075 20 30 CGEDMO C#CC[N@@H+](CC1CC1)[C@@H](CCOC)c1ccccc1 ZINC001325223546 934895817 /nfs/dbraw/zinc/89/58/17/934895817.db2.gz XYMQELZCAGMNRN-KRWDZBQOSA-N 1 1 257.377 3.109 20 30 CGEDMO CCCCCCC[N@@H+]1C[C@H]2CN(C(=O)C=C(C)C)C[C@H]2C1 ZINC001325716828 934925045 /nfs/dbraw/zinc/92/50/45/934925045.db2.gz UKGCTLYJVUWBBQ-CALCHBBNSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]2C[N@H+]([C@H](C)CCC=C)C[C@H]21 ZINC001325931857 934940440 /nfs/dbraw/zinc/94/04/40/934940440.db2.gz IRVNZIRJYKEEGG-IXDOHACOSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)C[C@@H](C)C1CCCCC1 ZINC001473705852 937818218 /nfs/dbraw/zinc/81/82/18/937818218.db2.gz GQNDGSGTTITUIY-GDBMZVCRSA-N 1 1 253.430 3.462 20 30 CGEDMO CN(CCC[N@@H+](C)[C@@H]1CCC[C@H]1C#N)c1ccccc1 ZINC001473708355 937818231 /nfs/dbraw/zinc/81/82/31/937818231.db2.gz UKYJEJHAVGZCHH-DOTOQJQBSA-N 1 1 271.408 3.137 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(-c3cnn(C)c3)cc2)C1 ZINC001327832202 935088355 /nfs/dbraw/zinc/08/83/55/935088355.db2.gz PQCKRMHAERNESU-INIZCTEOSA-N 1 1 293.414 3.322 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C(C)C)C(C)(C)C1 ZINC001328079664 935115354 /nfs/dbraw/zinc/11/53/54/935115354.db2.gz DQPALIJJTJQSJJ-CQSZACIVSA-N 1 1 280.456 3.071 20 30 CGEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)CC1CCC(O)CC1 ZINC001328399316 935134652 /nfs/dbraw/zinc/13/46/52/935134652.db2.gz ZZPOZPKFBLFSGV-UHFFFAOYSA-N 1 1 286.419 3.320 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(F)c(OC)c2)C1 ZINC001328695437 935160266 /nfs/dbraw/zinc/16/02/66/935160266.db2.gz AGJYCWLWLOYPEM-ZDUSSCGKSA-N 1 1 261.340 3.070 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1ccccc1F ZINC001329376435 935210733 /nfs/dbraw/zinc/21/07/33/935210733.db2.gz QTGTZCUYPSEXLD-KGLIPLIRSA-N 1 1 292.398 3.231 20 30 CGEDMO C=CC[N@@H+](Cc1nnc(-c2ccccc2OC)o1)C(C)C ZINC001329427221 935215106 /nfs/dbraw/zinc/21/51/06/935215106.db2.gz VCAAOOSFSDHBIG-UHFFFAOYSA-N 1 1 287.363 3.142 20 30 CGEDMO C=CC[N@H+](Cc1nnc(-c2ccccc2OC)o1)C(C)C ZINC001329427221 935215109 /nfs/dbraw/zinc/21/51/09/935215109.db2.gz VCAAOOSFSDHBIG-UHFFFAOYSA-N 1 1 287.363 3.142 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H](C)[N@@H+](C)CCc1ccccc1 ZINC001329451149 935216875 /nfs/dbraw/zinc/21/68/75/935216875.db2.gz RABGJHGEGNWTTQ-INIZCTEOSA-N 1 1 288.435 3.022 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@](C)(C=C)CC ZINC001329937072 935255945 /nfs/dbraw/zinc/25/59/45/935255945.db2.gz KSDOFIQJJXBRNQ-DOTOQJQBSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@H](C=C)CC ZINC001329937124 935255983 /nfs/dbraw/zinc/25/59/83/935255983.db2.gz LRLKSEWGUJOBFI-HZPDHXFCSA-N 1 1 278.440 3.136 20 30 CGEDMO CC(C)(C)OC(=O)c1ccc[nH+]c1NNC=C1CC1(F)F ZINC001330107755 935269908 /nfs/dbraw/zinc/26/99/08/935269908.db2.gz CNDXAFIGMDAPOU-SECBINFHSA-N 1 1 297.305 3.090 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2C[N@H+](CCC)CC2(C)C)CCCC1 ZINC001330261401 935280931 /nfs/dbraw/zinc/28/09/31/935280931.db2.gz GKJCTCKHXQNYOH-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC2(C1)CCC[N@H+](CCCC)C2 ZINC001330501681 935291090 /nfs/dbraw/zinc/29/10/90/935291090.db2.gz IVEFVAXYHJQPEV-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)[C@H](C)CC)CC1 ZINC001330999889 935341424 /nfs/dbraw/zinc/34/14/24/935341424.db2.gz KYTAYENTNIERNZ-CABCVRRESA-N 1 1 280.456 3.310 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC001331043994 935344602 /nfs/dbraw/zinc/34/46/02/935344602.db2.gz FTXGPJMTJCJWDX-HZPDHXFCSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[C@H]2CC)CC1 ZINC001331038938 935345215 /nfs/dbraw/zinc/34/52/15/935345215.db2.gz NCBHHBRWIWYZAZ-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO N#Cc1ccc(CO[NH+]=C(N)C2CCCCC2)s1 ZINC001331942906 935425167 /nfs/dbraw/zinc/42/51/67/935425167.db2.gz HEKVJGCYMOMDSE-UHFFFAOYSA-N 1 1 263.366 3.199 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2occc2C)[C@@H]1C ZINC001332160164 935444211 /nfs/dbraw/zinc/44/42/11/935444211.db2.gz QLIMDPJKBNWODF-GJZGRUSLSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)/C(C)=C\CC)[C@@H]1C ZINC001332166519 935445427 /nfs/dbraw/zinc/44/54/27/935445427.db2.gz RHBGDXMMIRSRJU-IBBDDHLBSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)/C(C)=C/CC)[C@H]1C ZINC001332166517 935445586 /nfs/dbraw/zinc/44/55/86/935445586.db2.gz RHBGDXMMIRSRJU-HVJILKDESA-N 1 1 278.440 3.278 20 30 CGEDMO N#Cc1ccc(C[N@H+](Cc2ccoc2)C2CC2)s1 ZINC001333450772 935536668 /nfs/dbraw/zinc/53/66/68/935536668.db2.gz KKNBKJBCVQNXCT-UHFFFAOYSA-N 1 1 258.346 3.377 20 30 CGEDMO N#Cc1ccc(C[N@@H+](Cc2ccoc2)C2CC2)s1 ZINC001333450772 935536672 /nfs/dbraw/zinc/53/66/72/935536672.db2.gz KKNBKJBCVQNXCT-UHFFFAOYSA-N 1 1 258.346 3.377 20 30 CGEDMO CC[N@H+]1CCC[C@@H](CNc2ccc(C#N)cc2C)C1 ZINC001333645940 935556148 /nfs/dbraw/zinc/55/61/48/935556148.db2.gz MLCZMOFCPPYQFB-HNNXBMFYSA-N 1 1 257.381 3.011 20 30 CGEDMO N#Cc1cccc(C#N)c1NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001334931315 936122428 /nfs/dbraw/zinc/12/24/28/936122428.db2.gz RDVFFNBTQWGIAS-KRWDZBQOSA-N 1 1 294.402 3.249 20 30 CGEDMO C#CC[N@@H+](Cc1ccn(C(CC)CC)n1)CC1CC1 ZINC001335586785 936154903 /nfs/dbraw/zinc/15/49/03/936154903.db2.gz FJDBSFIUULDOLV-UHFFFAOYSA-N 1 1 259.397 3.089 20 30 CGEDMO C#CC[N@H+](Cc1ccn(C(CC)CC)n1)CC1CC1 ZINC001335586785 936154904 /nfs/dbraw/zinc/15/49/04/936154904.db2.gz FJDBSFIUULDOLV-UHFFFAOYSA-N 1 1 259.397 3.089 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OC(F)F)c(OC)c1)CC1CC1 ZINC001335588733 936154935 /nfs/dbraw/zinc/15/49/35/936154935.db2.gz MINLHLKVWCTGEK-UHFFFAOYSA-N 1 1 295.329 3.142 20 30 CGEDMO C[C@@H]1CCSCC[N@H+]1CC1CCC(C#N)CC1 ZINC001335928408 936167517 /nfs/dbraw/zinc/16/75/17/936167517.db2.gz SHRXLCMXHUKWRU-IYXRBSQSSA-N 1 1 252.427 3.144 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cc(C)sc2C)C1 ZINC001337650443 936277093 /nfs/dbraw/zinc/27/70/93/936277093.db2.gz PZHZITFMKIVWQT-CQSZACIVSA-N 1 1 251.395 3.142 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](CCc2ccc(CC)cc2)C1 ZINC001337651053 936277761 /nfs/dbraw/zinc/27/77/61/936277761.db2.gz ULOHOIYQFDFJLX-QGZVFWFLSA-N 1 1 259.393 3.068 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1Cc2c[nH]nc2C[C@@H](C)C1 ZINC001473797509 937822190 /nfs/dbraw/zinc/82/21/90/937822190.db2.gz QXPAEHKWLLWRRW-OLZOCXBDSA-N 1 1 280.375 3.037 20 30 CGEDMO C#CC[N@@H+](Cc1nc2cc(Cl)ccc2n1C)C(C)(C)C ZINC001473808240 937823004 /nfs/dbraw/zinc/82/30/04/937823004.db2.gz BXKLORCSROTOKS-UHFFFAOYSA-N 1 1 289.810 3.460 20 30 CGEDMO C#CC[N@H+](Cc1nc2cc(Cl)ccc2n1C)C(C)(C)C ZINC001473808240 937823005 /nfs/dbraw/zinc/82/30/05/937823005.db2.gz BXKLORCSROTOKS-UHFFFAOYSA-N 1 1 289.810 3.460 20 30 CGEDMO C#CC[N@H+](C[C@@H](O)C(C)C)[C@@H]1CCCc2ccccc21 ZINC001473825829 937823238 /nfs/dbraw/zinc/82/32/38/937823238.db2.gz GNTQRFUEBUKBMZ-QZTJIDSGSA-N 1 1 271.404 3.016 20 30 CGEDMO C#CC[C@H]([NH2+]Cc1c(Cl)ncn1CC)c1ccccc1 ZINC001474075531 937839074 /nfs/dbraw/zinc/83/90/74/937839074.db2.gz NNYOTFCBJKHROR-AWEZNQCLSA-N 1 1 287.794 3.411 20 30 CGEDMO CCCn1cc(C[NH2+]CC2(C#N)CCCCC2)c(C)n1 ZINC001474212360 937844559 /nfs/dbraw/zinc/84/45/59/937844559.db2.gz ZEVWFJDDQJIZKD-UHFFFAOYSA-N 1 1 274.412 3.165 20 30 CGEDMO C#CC[N@@H+](Cc1ccnn1C1CCC1)C1CCCCC1 ZINC001474339087 937852602 /nfs/dbraw/zinc/85/26/02/937852602.db2.gz BVZYLWGPGVZAJU-UHFFFAOYSA-N 1 1 271.408 3.376 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](C[C@@H]2CCC[C@@H](CC)C2)C1 ZINC001474389368 937856606 /nfs/dbraw/zinc/85/66/06/937856606.db2.gz NSZSPLLIGRFCIT-BZUAXINKSA-N 1 1 251.414 3.480 20 30 CGEDMO Cc1cc(C)cc(CC[N@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC001474388850 937856682 /nfs/dbraw/zinc/85/66/82/937856682.db2.gz YKCJPWLEZVSQKM-KRWDZBQOSA-N 1 1 256.393 3.472 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(C(=O)OC)c(C)c1 ZINC001474404334 937857787 /nfs/dbraw/zinc/85/77/87/937857787.db2.gz IROMJGQUOBEEQO-UHFFFAOYSA-N 1 1 261.365 3.180 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc3c(c2)C[C@H](C)O3)C1 ZINC001474647763 937872853 /nfs/dbraw/zinc/87/28/53/937872853.db2.gz SWHWHMBIRUVDOX-UONOGXRCSA-N 1 1 257.377 3.408 20 30 CGEDMO C=C(C)C[C@H]([NH2+]CCC1CCCCC1)C(=O)OCC ZINC001474685931 937875417 /nfs/dbraw/zinc/87/54/17/937875417.db2.gz HBGIHBWPKYQRBP-HNNXBMFYSA-N 1 1 267.413 3.444 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H](CC)C(C)C ZINC001479261267 937918125 /nfs/dbraw/zinc/91/81/25/937918125.db2.gz RAJPZKLTCDTHNW-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C1(C)CC=CC1 ZINC001479241954 937918143 /nfs/dbraw/zinc/91/81/43/937918143.db2.gz GZFKCOJBKUTADZ-JKSUJKDBSA-N 1 1 290.451 3.230 20 30 CGEDMO CC(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)C#CC(C)(C)C ZINC001479734228 937924579 /nfs/dbraw/zinc/92/45/79/937924579.db2.gz KSOUWRLBFOAJTR-INIZCTEOSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCCNC(=O)CC(C)(C)C ZINC001479838106 937927020 /nfs/dbraw/zinc/92/70/20/937927020.db2.gz VGBGPCQVIJFGEI-UHFFFAOYSA-N 1 1 268.445 3.217 20 30 CGEDMO C#CC[N@H+](CCCNC(=O)c1cccc(C(C)C)c1)C1CC1 ZINC001479879588 937927881 /nfs/dbraw/zinc/92/78/81/937927881.db2.gz ZJNAIZRETVZLST-UHFFFAOYSA-N 1 1 298.430 3.028 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C[C@H](C)C2CCCCC2)C1 ZINC001479911967 937928945 /nfs/dbraw/zinc/92/89/45/937928945.db2.gz TXDLCGXYWHXFTE-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C)C2CCCCC2)C1 ZINC001479911968 937929259 /nfs/dbraw/zinc/92/92/59/937929259.db2.gz TXDLCGXYWHXFTE-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)CCCCCC)C1 ZINC001479968123 937930357 /nfs/dbraw/zinc/93/03/57/937930357.db2.gz CUPMSEDMEQVVMP-SJORKVTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[C@H](C(=O)N[C@@H]1CC[N@@H+](CC=C)C1)c1ccccc1 ZINC001479973831 937930377 /nfs/dbraw/zinc/93/03/77/937930377.db2.gz LEPARCRSLULJCG-MSOLQXFVSA-N 1 1 298.430 3.113 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)CC(C)C)C1 ZINC001479967898 937930400 /nfs/dbraw/zinc/93/04/00/937930400.db2.gz PRWBPUWHSWWABN-CVEARBPZSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C2CC2)C1 ZINC001480260822 937935296 /nfs/dbraw/zinc/93/52/96/937935296.db2.gz DGVNIFKVGKZUEL-HNNXBMFYSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C=C)c1ccccc1 ZINC001480333004 937936903 /nfs/dbraw/zinc/93/69/03/937936903.db2.gz VWAURDFFSBSVCD-ZWKOTPCHSA-N 1 1 298.430 3.113 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)CCC(=C)C)C1 ZINC001480736012 937943103 /nfs/dbraw/zinc/94/31/03/937943103.db2.gz LYKHLSVZJUYEQC-INIZCTEOSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)C[C@H]1CCCC[C@@H]1C ZINC001493063231 937946595 /nfs/dbraw/zinc/94/65/95/937946595.db2.gz KDVGJRDMPMNKLE-JKSUJKDBSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](CNC(=O)CC(C)(C)C)C1 ZINC001493171425 937947830 /nfs/dbraw/zinc/94/78/30/937947830.db2.gz ALEVXZFPXCECLG-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1(C)CC1 ZINC001493148458 937947923 /nfs/dbraw/zinc/94/79/23/937947923.db2.gz JXLSUDWCPUTIQF-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H]2CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001493239206 937948732 /nfs/dbraw/zinc/94/87/32/937948732.db2.gz YIUPDKXZDJKGOT-HNNXBMFYSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1CC[N@H+](CC(CC)CC)C1 ZINC001493240500 937948751 /nfs/dbraw/zinc/94/87/51/937948751.db2.gz LKXRBAYZPOBFAH-INIZCTEOSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](CCNC(=O)[C@H](C)C(CC)CC)C1 ZINC001494029499 937953123 /nfs/dbraw/zinc/95/31/23/937953123.db2.gz IKWUZXWTPGSIAS-CABCVRRESA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC23CCCC3)C1 ZINC001494292945 937953861 /nfs/dbraw/zinc/95/38/61/937953861.db2.gz ATLIUZRNANLBMK-HZPDHXFCSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC1(C)CC1 ZINC001494675061 937955496 /nfs/dbraw/zinc/95/54/96/937955496.db2.gz BEICLDRVHQROJX-JYJNAYRXSA-N 1 1 290.451 3.207 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC(C)(C)C1 ZINC001494668579 937955663 /nfs/dbraw/zinc/95/56/63/937955663.db2.gz QQVSTWWBHPLBPB-PMPSAXMXSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCC2(CC[N@H+](CC)C2)CC1 ZINC001495598320 937959897 /nfs/dbraw/zinc/95/98/97/937959897.db2.gz HGPREJUEFLGWRG-UHFFFAOYSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC(C)(C)C(=O)N(C)CC[N@@H+](C)CC1CCCC1 ZINC001496793403 937964122 /nfs/dbraw/zinc/96/41/22/937964122.db2.gz XRCLGSSJCBJSLS-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)c1cscc1C ZINC001498257590 937968631 /nfs/dbraw/zinc/96/86/31/937968631.db2.gz XDMNCNTXNPGHEP-KGLIPLIRSA-N 1 1 294.464 3.461 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)C1(C)CCCC1 ZINC001499030267 937971916 /nfs/dbraw/zinc/97/19/16/937971916.db2.gz MJXYALUJRIKPKU-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC(=O)N1CCC([C@H]2CC[N@H+](CC(=C)C)C2)CC1 ZINC001499474744 937973518 /nfs/dbraw/zinc/97/35/18/937973518.db2.gz UVWJSNBHRCSNJJ-KRWDZBQOSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)CC2=CCCCC2)C1 ZINC001500199370 937976392 /nfs/dbraw/zinc/97/63/92/937976392.db2.gz ZWNTVYFUCGRNBI-KRWDZBQOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC(C)C ZINC001501396542 937979382 /nfs/dbraw/zinc/97/93/82/937979382.db2.gz WLORGMCJZXORKG-SJORKVTESA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC[N@H+](C)CCCN(C)C(=O)c1cccs1 ZINC001502156936 937981614 /nfs/dbraw/zinc/98/16/14/937981614.db2.gz WYNZMCMBWROVEB-UHFFFAOYSA-N 1 1 280.437 3.108 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)C[C@H]1CCC[C@@H]1C ZINC001502335810 937982020 /nfs/dbraw/zinc/98/20/20/937982020.db2.gz AVQKAASENQCQNS-JKSUJKDBSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCCF)C1 ZINC001502406939 937982378 /nfs/dbraw/zinc/98/23/78/937982378.db2.gz WMRSMAZRRZARBZ-JKSUJKDBSA-N 1 1 296.430 3.015 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H](NC(=O)C(CCC)CCC)C[C@H]1C ZINC001502969958 937983904 /nfs/dbraw/zinc/98/39/04/937983904.db2.gz QFXFQCVGWAUESR-NVXWUHKLSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCC[N@H+](CC)CC1CCN(C(=O)[C@H]2CC2(C)C)CC1 ZINC001505395854 937984909 /nfs/dbraw/zinc/98/49/09/937984909.db2.gz ZKUSUKMAJQDZGV-MRXNPFEDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+](CC)CC1CCN(C(=O)[C@@](C)(C=C)CC)CC1 ZINC001505398348 937984970 /nfs/dbraw/zinc/98/49/70/937984970.db2.gz FKULSLCBFOWYBR-SFHVURJKSA-N 1 1 292.467 3.335 20 30 CGEDMO C=CC[N@H+](CC)CC1CCN(C(=O)C=C(CC)CC)CC1 ZINC001505395615 937985017 /nfs/dbraw/zinc/98/50/17/937985017.db2.gz RBWSTTJIFJZSIC-UHFFFAOYSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)c1ccsc1C ZINC001505429932 937985053 /nfs/dbraw/zinc/98/50/53/937985053.db2.gz WNYOJHYSCCNMRQ-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001505916457 937988120 /nfs/dbraw/zinc/98/81/20/937988120.db2.gz LMXGERHKMZQNIL-MRXNPFEDSA-N 1 1 292.467 3.219 20 30 CGEDMO C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)CCCCC(C)C ZINC001506575044 937990867 /nfs/dbraw/zinc/99/08/67/937990867.db2.gz JMWBNWVWNIJBPM-KRWDZBQOSA-N 1 1 292.467 3.197 20 30 CGEDMO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)CCCCC)C(C)(C)C1 ZINC001506754611 937991874 /nfs/dbraw/zinc/99/18/74/937991874.db2.gz WVWCALFXZNKVAV-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)CCCCC)C(C)(C)C1 ZINC001506754611 937991875 /nfs/dbraw/zinc/99/18/75/937991875.db2.gz WVWCALFXZNKVAV-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)c1cc(C)c(C)o1)C(C)C ZINC001507776708 937996910 /nfs/dbraw/zinc/99/69/10/937996910.db2.gz CCCIMAIFTOQREL-UHFFFAOYSA-N 1 1 292.423 3.255 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)c1ccc2cc[nH]c2c1)C(C)C ZINC001507840523 937997124 /nfs/dbraw/zinc/99/71/24/937997124.db2.gz JJLUADHZGRLGLV-UHFFFAOYSA-N 1 1 299.418 3.136 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC2(C)C)CC1 ZINC001508211367 937998766 /nfs/dbraw/zinc/99/87/66/937998766.db2.gz DWZVYEIEHULPON-INIZCTEOSA-N 1 1 290.451 3.137 20 30 CGEDMO C[N@@H+](CCc1cccc(NC(=O)CCCCC#N)c1)C1CC1 ZINC001527269170 938060952 /nfs/dbraw/zinc/06/09/52/938060952.db2.gz VLKFIIWRSCPMEF-UHFFFAOYSA-N 1 1 299.418 3.346 20 30 CGEDMO C=C[C@H](CC)CC(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC001527310423 938060997 /nfs/dbraw/zinc/06/09/97/938060997.db2.gz MGKMOBWGTVSJDS-GFCCVEGCSA-N 1 1 257.337 3.184 20 30 CGEDMO C=C1CCC(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC001543823417 938141832 /nfs/dbraw/zinc/14/18/32/938141832.db2.gz KTTWDJDQTPNNJC-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCCN(O)C(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC001559035350 938150725 /nfs/dbraw/zinc/15/07/25/938150725.db2.gz NAHPJQFTCWENSG-OAHLLOKOSA-N 1 1 278.396 3.087 20 30 CGEDMO C=CC[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CCC)C1 ZINC001557407876 938209886 /nfs/dbraw/zinc/20/98/86/938209886.db2.gz UHGSXIIKHXVGQZ-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO CCc1c[nH]c2nc[nH+]c(NCc3ccc(C#N)s3)c12 ZINC001559216057 938222634 /nfs/dbraw/zinc/22/26/34/938222634.db2.gz MPRNQDQLXVLBQW-UHFFFAOYSA-N 1 1 283.360 3.066 20 30 CGEDMO C=CC[C@@H](C)[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC001559538162 938228720 /nfs/dbraw/zinc/22/87/20/938228720.db2.gz QNYGVCDFONKDCA-ZBFHGGJFSA-N 1 1 272.392 3.078 20 30 CGEDMO C#CCOCC[N@H+](C)[C@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC001559562616 938229662 /nfs/dbraw/zinc/22/96/62/938229662.db2.gz GJVOIFRWMPHJPC-MSOLQXFVSA-N 1 1 271.404 3.213 20 30 CGEDMO CCC#C[C@@H](C)[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC001559638672 938231491 /nfs/dbraw/zinc/23/14/91/938231491.db2.gz JMXRDJJFCDJFCG-CQSZACIVSA-N 1 1 279.387 3.454 20 30 CGEDMO COCC#CC[N@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC001559650425 938231831 /nfs/dbraw/zinc/23/18/31/938231831.db2.gz DTRNMZHRJSXSDW-SFHVURJKSA-N 1 1 271.404 3.124 20 30 CGEDMO CCCCCCCCCC[N@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC001559902956 938238434 /nfs/dbraw/zinc/23/84/34/938238434.db2.gz MHQCUBGRYLWOPB-JKSUJKDBSA-N 1 1 271.445 3.209 20 30 CGEDMO C=C(CC)C[N@H+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC001559924341 938238992 /nfs/dbraw/zinc/23/89/92/938238992.db2.gz SLOVODULHNPOFL-KGLIPLIRSA-N 1 1 267.413 3.395 20 30 CGEDMO C=C(CC)C[N@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC001559924343 938239090 /nfs/dbraw/zinc/23/90/90/938239090.db2.gz SLOVODULHNPOFL-ZIAGYGMSSA-N 1 1 267.413 3.395 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)N(C)[C@@H](C)CC(C)C)C1 ZINC001559983708 938240929 /nfs/dbraw/zinc/24/09/29/938240929.db2.gz ZHUZAAUUARZFBZ-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CCC[C@@H](C2CCCCC2)C1 ZINC001560024354 938242043 /nfs/dbraw/zinc/24/20/43/938242043.db2.gz GJXXMPDUNRLNON-HZPDHXFCSA-N 1 1 251.414 3.216 20 30 CGEDMO C=CC[C@@H](C)[N@@H+](CC)CCOc1ccccc1OC ZINC001560030641 938242205 /nfs/dbraw/zinc/24/22/05/938242205.db2.gz DDNZNDWOQFUUQN-CQSZACIVSA-N 1 1 263.381 3.361 20 30 CGEDMO C=CCCCCC[NH2+]C(C)(C)C(=O)OC(C)(C)C ZINC001560061426 938242713 /nfs/dbraw/zinc/24/27/13/938242713.db2.gz LXBJIVRZWOOXCR-UHFFFAOYSA-N 1 1 255.402 3.443 20 30 CGEDMO CCc1ccccc1CC[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC001560060712 938242936 /nfs/dbraw/zinc/24/29/36/938242936.db2.gz UFTYRDWNJGIVME-IRXDYDNUSA-N 1 1 256.393 3.416 20 30 CGEDMO N#Cc1ccc([C@H](O)C[N@H+]2C[C@@H](C3CC3)C[C@H]2C2CC2)cc1 ZINC001560188336 938246545 /nfs/dbraw/zinc/24/65/45/938246545.db2.gz ZGISQWRCPMNCPS-GBESFXJTSA-N 1 1 296.414 3.102 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@]1(CO)c1ccccc1 ZINC001560230816 938248133 /nfs/dbraw/zinc/24/81/33/938248133.db2.gz HSYHTDYMURWAJM-GOSISDBHSA-N 1 1 286.419 3.300 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC001560289562 938251501 /nfs/dbraw/zinc/25/15/01/938251501.db2.gz LOGFUKNPYOAAOV-WMLDXEAASA-N 1 1 299.462 3.385 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC001560289562 938251503 /nfs/dbraw/zinc/25/15/03/938251503.db2.gz LOGFUKNPYOAAOV-WMLDXEAASA-N 1 1 299.462 3.385 20 30 CGEDMO C#Cc1cccc(C[NH2+]Cc2nccn2-c2ccccc2)c1 ZINC001560503264 938260583 /nfs/dbraw/zinc/26/05/83/938260583.db2.gz HNAHQWYQKBROCD-UHFFFAOYSA-N 1 1 287.366 3.143 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2nc(-c3ccccc3)c[nH]2)s1 ZINC001560509541 938260967 /nfs/dbraw/zinc/26/09/67/938260967.db2.gz HRCNYRCEOQEYMB-UHFFFAOYSA-N 1 1 294.383 3.300 20 30 CGEDMO C#Cc1ccc(C[NH2+]Cc2noc3ccc(F)cc32)cc1 ZINC001560563106 938263106 /nfs/dbraw/zinc/26/31/06/938263106.db2.gz UTPCXYASBDXXMI-UHFFFAOYSA-N 1 1 280.302 3.238 20 30 CGEDMO C[C@@H]1CC[C@H](NCC(C)(C)C#N)C[N@@H+]1Cc1ccccc1 ZINC001560741250 938273253 /nfs/dbraw/zinc/27/32/53/938273253.db2.gz QBBZHYAFKYQLNK-WBVHZDCISA-N 1 1 285.435 3.179 20 30 CGEDMO C[C@@H]1CC[C@H](NCC(C)(C)C#N)C[N@H+]1Cc1ccccc1 ZINC001560741250 938273254 /nfs/dbraw/zinc/27/32/54/938273254.db2.gz QBBZHYAFKYQLNK-WBVHZDCISA-N 1 1 285.435 3.179 20 30 CGEDMO C#C[C@H]1CCC[N@H+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC001560906478 938283138 /nfs/dbraw/zinc/28/31/38/938283138.db2.gz KYYLIAREENTFCT-BPJJOFIESA-N 1 1 261.315 3.323 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2N(C)C)C1 ZINC001560948492 938285957 /nfs/dbraw/zinc/28/59/57/938285957.db2.gz YMFUOQJFXAEZGC-CQSZACIVSA-N 1 1 269.392 3.022 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](C=C)CC)C1 ZINC001481738767 957715883 /nfs/dbraw/zinc/71/58/83/957715883.db2.gz PLCSRFVPHKVBPY-CVEARBPZSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCC(=O)N(C)CC[N@H+](C)[C@@H](C)c1ccccc1C ZINC001482583964 957731816 /nfs/dbraw/zinc/73/18/16/957731816.db2.gz FTKGQRSHLKBFSX-INIZCTEOSA-N 1 1 288.435 3.412 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)CCC)C2)C1 ZINC001485658147 957827743 /nfs/dbraw/zinc/82/77/43/957827743.db2.gz SJUGJIHZZXGFTC-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)[C@H](C)c1ccc(F)nc1 ZINC001307753572 957878075 /nfs/dbraw/zinc/87/80/75/957878075.db2.gz PELGCKSZLJOCHO-CQSZACIVSA-N 1 1 268.335 3.417 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)[C@H](C)c1ccc(F)nc1 ZINC001307753572 957878081 /nfs/dbraw/zinc/87/80/81/957878081.db2.gz PELGCKSZLJOCHO-CQSZACIVSA-N 1 1 268.335 3.417 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)C(C)(C)C=C)C1 ZINC001566626426 960567696 /nfs/dbraw/zinc/56/76/96/960567696.db2.gz MDUFTERZZJQMIR-CABCVRRESA-N 1 1 278.440 3.134 20 30 CGEDMO C=C1CC(C)(C(=O)N(C)C[C@@H]2CC[N@@H+]2CCCC(C)C)C1 ZINC001565827095 960579537 /nfs/dbraw/zinc/57/95/37/960579537.db2.gz YFGGOANZVDDJDA-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@H]([N@@H+](C)CCC(=C)C)C1 ZINC001567198897 960588341 /nfs/dbraw/zinc/58/83/41/960588341.db2.gz QIPOSJWMKCDEIS-FUHWJXTLSA-N 1 1 292.467 3.478 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C)CCCCCC)C1 ZINC001567924709 960601819 /nfs/dbraw/zinc/60/18/19/960601819.db2.gz GAODOIGGMGDODH-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)=C2CCCC2)C1 ZINC001567909167 960602226 /nfs/dbraw/zinc/60/22/26/960602226.db2.gz YXKVWEHXRMRTTO-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](N(CC)C(=O)CCCCCC(C)C)C1 ZINC001567942812 960607236 /nfs/dbraw/zinc/60/72/36/960607236.db2.gz UDBRYROHYRHDLB-KRWDZBQOSA-N 1 1 292.467 3.149 20 30 CGEDMO C#Cc1cccc(N(CC)C(=O)[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001565601932 960796695 /nfs/dbraw/zinc/79/66/95/960796695.db2.gz ICLYKLBWXQLZBJ-QGZVFWFLSA-N 1 1 298.430 3.141 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC2(C)C)[C@H]1C ZINC001566101235 960878018 /nfs/dbraw/zinc/87/80/18/960878018.db2.gz XZBICKOBYGUDBD-PMPSAXMXSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[N@@H+](CCC=C)CC(C)(C)C1 ZINC001566127768 960888958 /nfs/dbraw/zinc/88/89/58/960888958.db2.gz GZHQJUHTQWXYMA-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](NC(=O)C(C)(CC)CC)CC(C)(C)C1 ZINC001566132037 960897000 /nfs/dbraw/zinc/89/70/00/960897000.db2.gz UYTZOTFJOISBSB-HNNXBMFYSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001566510241 960938303 /nfs/dbraw/zinc/93/83/03/960938303.db2.gz UUTWLQOZZDSXCW-WKILWMFISA-N 1 1 280.456 3.217 20 30 CGEDMO CC#CC[N@@H+](CC)CCCNC(=O)C1(C)CCCCCC1 ZINC001566552903 960953140 /nfs/dbraw/zinc/95/31/40/960953140.db2.gz IBVDNQCTWLITHV-UHFFFAOYSA-N 1 1 292.467 3.198 20 30 CGEDMO C=C(Cl)C[N@@H+](CCCNC(=O)C1(C)CCCC1)C1CC1 ZINC001566594178 960960359 /nfs/dbraw/zinc/96/03/59/960960359.db2.gz NWEMYOJFFMRLTP-UHFFFAOYSA-N 1 1 298.858 3.290 20 30 CGEDMO C=C(Cl)C[N@H+](CCCNC(=O)C1(C)CCCC1)C1CC1 ZINC001566594178 960960379 /nfs/dbraw/zinc/96/03/79/960960379.db2.gz NWEMYOJFFMRLTP-UHFFFAOYSA-N 1 1 298.858 3.290 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)[C@@]1(C)CCC[C@@H]1CC)C1CC1 ZINC001566590000 960961182 /nfs/dbraw/zinc/96/11/82/960961182.db2.gz IUHPXIIUQXEQAM-YJBOKZPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001566620457 960971770 /nfs/dbraw/zinc/97/17/70/960971770.db2.gz OJFZDUSUZJSGTF-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CCC[N@H+](CCC(C)C)C1 ZINC001566623306 960974379 /nfs/dbraw/zinc/97/43/79/960974379.db2.gz LKHXOOPQYQSSMV-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[C@H](C[N@@H+](C)C(C)C)C1 ZINC001566741694 960994471 /nfs/dbraw/zinc/99/44/71/960994471.db2.gz HXIXKARONURSKU-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC(=C)C ZINC001566752774 961005979 /nfs/dbraw/zinc/00/59/79/961005979.db2.gz NKOWYKXWWIHNKZ-ZACQAIPSSA-N 1 1 290.451 3.373 20 30 CGEDMO CCCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)C ZINC001566749066 961006026 /nfs/dbraw/zinc/00/60/26/961006026.db2.gz ZZRDTQRZSRJWCO-IYBDPMFKSA-N 1 1 280.456 3.288 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CC1 ZINC001566746401 961009987 /nfs/dbraw/zinc/00/99/87/961009987.db2.gz HJFKENIRPCZBEO-CALCHBBNSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001566820289 961021827 /nfs/dbraw/zinc/02/18/27/961021827.db2.gz LSNHXQCDAXHRCZ-LNRIEFBSSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@H]1CCC[N@H+](CC(=C)Cl)C1 ZINC001566879099 961047852 /nfs/dbraw/zinc/04/78/52/961047852.db2.gz YLXSPMAPJWFJHZ-CQSZACIVSA-N 1 1 298.858 3.169 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](CC(=C)Cl)C1 ZINC001566879099 961047874 /nfs/dbraw/zinc/04/78/74/961047874.db2.gz YLXSPMAPJWFJHZ-CQSZACIVSA-N 1 1 298.858 3.169 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(CC)CC ZINC001566915136 961048648 /nfs/dbraw/zinc/04/86/48/961048648.db2.gz LYLKZLRWGCYOAZ-MRXNPFEDSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@@H]([N@H+](C)C[C@H](F)CC)C2)C1 ZINC001567198365 961139931 /nfs/dbraw/zinc/13/99/31/961139931.db2.gz GVWOHANKOXRXKW-HUUCEWRRSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCCC(=O)NCC[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC001567274027 961265169 /nfs/dbraw/zinc/26/51/69/961265169.db2.gz RGCONOBTKHPADC-CYBMUJFWSA-N 1 1 294.826 3.415 20 30 CGEDMO C=CC(C)(C)CC(=O)NCC[N@@H+](C)CCCC(C)(C)C ZINC001567284012 961267791 /nfs/dbraw/zinc/26/77/91/961267791.db2.gz QHKFTXNKDMDGOO-UHFFFAOYSA-N 1 1 282.472 3.463 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)c1cc(C(C)C)oc1C ZINC001567312023 961272242 /nfs/dbraw/zinc/27/22/42/961272242.db2.gz NSPBCNMVSHCNNO-UHFFFAOYSA-N 1 1 292.423 3.339 20 30 CGEDMO C=CCC[N@H+](C)CCNC(=O)[C@H](c1ccccc1)C(C)C ZINC001567306173 961281098 /nfs/dbraw/zinc/28/10/98/961281098.db2.gz ZSTHUJNNTUDPQI-KRWDZBQOSA-N 1 1 288.435 3.050 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)C1(C)C(C)(C)C1(C)C ZINC001567357421 961288094 /nfs/dbraw/zinc/28/80/94/961288094.db2.gz XXKJZQLKDWDBSZ-UHFFFAOYSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@H]1CC=CCC1 ZINC001567376263 961305275 /nfs/dbraw/zinc/30/52/75/961305275.db2.gz DONNLSZLPCCSGS-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+]1C[C@@H](C)CC(C)C ZINC001567378351 961306058 /nfs/dbraw/zinc/30/60/58/961306058.db2.gz ZYZWLCFKHROGCN-HOTGVXAUSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)=C1CCC1 ZINC001567366020 961307366 /nfs/dbraw/zinc/30/73/66/961307366.db2.gz YJDIOOZMETZNOB-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)C[C@@H]1CC=CCC1 ZINC001567376266 961311108 /nfs/dbraw/zinc/31/11/08/961311108.db2.gz DONNLSZLPCCSGS-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](CNC(=O)C(C)=C2CCC2)C1 ZINC001567399859 961324771 /nfs/dbraw/zinc/32/47/71/961324771.db2.gz DFNGIYMLBVEWBM-HOCLYGCPSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)CC[C@H](C)CC)C1 ZINC001567415581 961326948 /nfs/dbraw/zinc/32/69/48/961326948.db2.gz OUTZXVVTFGEBLG-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)C1(F)CCCCC1 ZINC001567431349 961340389 /nfs/dbraw/zinc/34/03/89/961340389.db2.gz BWRYXBNKOBCSKF-UHFFFAOYSA-N 1 1 284.419 3.063 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CC23CCCC3)C1 ZINC001567689159 961388627 /nfs/dbraw/zinc/38/86/27/961388627.db2.gz RLYPMOHMEABJPD-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC(=O)N(CCC)[C@@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001567681309 961390353 /nfs/dbraw/zinc/39/03/53/961390353.db2.gz OYCYBBGUHHAPDC-MRXNPFEDSA-N 1 1 278.440 3.232 20 30 CGEDMO C#CCCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC ZINC001567673660 961395542 /nfs/dbraw/zinc/39/55/42/961395542.db2.gz HLICURRVMWAUOX-CALCHBBNSA-N 1 1 290.451 3.045 20 30 CGEDMO C=CCCC(=O)N(CCC)[C@H]1CC[N@@H+](C[C@H](C)CC)C1 ZINC001567682318 961398445 /nfs/dbraw/zinc/39/84/45/961398445.db2.gz ZAJGEXLWXUKNOD-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)CCCC#CC)C1 ZINC001567686506 961399300 /nfs/dbraw/zinc/39/93/00/961399300.db2.gz NIOBCFLAIYHBNB-KRWDZBQOSA-N 1 1 290.451 3.069 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)/C=C(/C)C2CC2)C1 ZINC001567723950 961417444 /nfs/dbraw/zinc/41/74/44/961417444.db2.gz PPWKBBUMWQQPGR-QZFKAFNDSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)C2(CCC)CC2)C1 ZINC001567736979 961417745 /nfs/dbraw/zinc/41/77/45/961417745.db2.gz QWROPNHOTREDFX-AWEZNQCLSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCCC ZINC001567860988 961446860 /nfs/dbraw/zinc/44/68/60/961446860.db2.gz FFIWRSJTXRWCBK-PMPSAXMXSA-N 1 1 278.440 3.064 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CCCCC)C(C)C)C1 ZINC001567898427 961450921 /nfs/dbraw/zinc/45/09/21/961450921.db2.gz YCFBWMVVJYISII-SJORKVTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[N@H+]([C@H](CC)c2ccccc2)C1 ZINC001567887512 961457982 /nfs/dbraw/zinc/45/79/82/961457982.db2.gz DINQVEYHWVPAOS-IAGOWNOFSA-N 1 1 286.419 3.294 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)CC2(C)CC2)C1 ZINC001567916864 961464317 /nfs/dbraw/zinc/46/43/17/961464317.db2.gz AMLLZHHCZCGTLA-GJZGRUSLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](CC)C(C)C)C1 ZINC001567925847 961465945 /nfs/dbraw/zinc/46/59/45/961465945.db2.gz UXVRDANYCHOWCS-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCCCC)C1 ZINC001568513225 961607595 /nfs/dbraw/zinc/60/75/95/961607595.db2.gz IPULGKPTWBQSFR-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)CCC(C)C)CC[C@H]21 ZINC001568508116 961608718 /nfs/dbraw/zinc/60/87/18/961608718.db2.gz IZLIJXIRRKXZJL-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)/C(C)=C\CC ZINC001569107772 961693693 /nfs/dbraw/zinc/69/36/93/961693693.db2.gz XDLDECCRSDATMY-GHRAKNKNSA-N 1 1 266.429 3.134 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)C(CC)CC ZINC001569124953 961699488 /nfs/dbraw/zinc/69/94/88/961699488.db2.gz PFICDIUMJDRUGX-KGLIPLIRSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CC[N@H+](C)C[C@H](C)NC(=O)CC/C=C\c1ccccc1 ZINC001569137635 961700294 /nfs/dbraw/zinc/70/02/94/961700294.db2.gz GDUIANYPHYUEMD-LJEUOOAZSA-N 1 1 286.419 3.103 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H](C)c1ccsc1 ZINC001569138444 961701763 /nfs/dbraw/zinc/70/17/63/961701763.db2.gz UMRJORCMRUYSJV-UONOGXRCSA-N 1 1 294.464 3.254 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)c1cc(C)cs1 ZINC001569355429 961736497 /nfs/dbraw/zinc/73/64/97/961736497.db2.gz JTUXDPOEJKOLJP-KBPBESRZSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@@H]1[C@@H]1CC[N@H+](C(C)C)C1 ZINC001569437296 961769145 /nfs/dbraw/zinc/76/91/45/961769145.db2.gz SFTGZMGNJCTIIK-HZPDHXFCSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@](C)(CC)CCC)C2)C1 ZINC001569477979 961778703 /nfs/dbraw/zinc/77/87/03/961778703.db2.gz DOURKHGRCMMWPR-ROUUACIJSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)CCCF)C2)C1 ZINC001569467205 961779947 /nfs/dbraw/zinc/77/99/47/961779947.db2.gz LMNLDNOGPZOQFZ-KRWDZBQOSA-N 1 1 296.430 3.017 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@]1(C)CCC[N@@H+](CCCF)C1 ZINC001569720022 961831034 /nfs/dbraw/zinc/83/10/34/961831034.db2.gz QABUHYSQBWDBTH-RDJZCZTQSA-N 1 1 298.446 3.167 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@]1(C)CCC[N@H+](C[C@@H](F)CC)C1 ZINC001569719185 961832861 /nfs/dbraw/zinc/83/28/61/961832861.db2.gz DAJWTWSVXSPALJ-WMLDXEAASA-N 1 1 298.446 3.165 20 30 CGEDMO C=CCCCC(=O)N1C[C@@H]2C[N@@H+](CCCCCC)C[C@@H]2C1 ZINC001569879324 961856358 /nfs/dbraw/zinc/85/63/58/961856358.db2.gz WHKHUNQVHDFYPA-CALCHBBNSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCCC(=O)N1C[C@@H]2C[N@@H+]([C@H](C)CCC=C)C[C@@H]2C1 ZINC001569878848 961858925 /nfs/dbraw/zinc/85/89/25/961858925.db2.gz NHZFVFCJUSLDSQ-ZACQAIPSSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)/C=C(\C)CC)C2 ZINC001569859472 961860545 /nfs/dbraw/zinc/86/05/45/961860545.db2.gz ZVXNJBIFXXHQMH-ZZGXWXLESA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C)[C@@H](C)CC)C2 ZINC001569860966 961864923 /nfs/dbraw/zinc/86/49/23/961864923.db2.gz IZDFACHTTHLGLR-NNXHMXCWSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)CCC ZINC001569913586 961878876 /nfs/dbraw/zinc/87/88/76/961878876.db2.gz TXCDJGPANHQCKE-CABCVRRESA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@H+](C)Cc1ccccc1CNC(=O)C[C@@H]1C=CCC1 ZINC001570025722 961883557 /nfs/dbraw/zinc/88/35/57/961883557.db2.gz MXEMXKKQZDHXTK-MRXNPFEDSA-N 1 1 298.430 3.277 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@H](C)CC ZINC001570025231 961887400 /nfs/dbraw/zinc/88/74/00/961887400.db2.gz BYUHVSZITINQRN-OAHLLOKOSA-N 1 1 288.435 3.357 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CCCCC)CC1 ZINC001570181201 961913427 /nfs/dbraw/zinc/91/34/27/961913427.db2.gz DYESTAUWLIUFFR-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)/C(C)=C/C ZINC001570268597 961946019 /nfs/dbraw/zinc/94/60/19/961946019.db2.gz FPWCNHDMSIRNKA-LUFMRPCYSA-N 1 1 298.430 3.072 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)CCC)C[C@@H]1C ZINC001570440268 961971405 /nfs/dbraw/zinc/97/14/05/961971405.db2.gz JTZWOOSVIHVIOA-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)CCC1CCCC1 ZINC001570523015 961983678 /nfs/dbraw/zinc/98/36/78/961983678.db2.gz BRCKWLYGJHQDSO-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)CC1(C)CCCC1 ZINC001570530474 961985520 /nfs/dbraw/zinc/98/55/20/961985520.db2.gz LNFVOSXTRLOAME-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@H]1C[N@H+](C)C[C@@H](C)CC ZINC001570537885 961986660 /nfs/dbraw/zinc/98/66/60/961986660.db2.gz IQLVJEOAWQTPGS-GJZGRUSLSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)c1occc1C ZINC001570524709 961986955 /nfs/dbraw/zinc/98/69/55/961986955.db2.gz ZJPCOMCLMFPFML-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)C1(C)CC(=C)C1 ZINC001570541096 961987089 /nfs/dbraw/zinc/98/70/89/961987089.db2.gz XGTNKZMIPFNHHX-AWEZNQCLSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C1(C)CC(=C)C1 ZINC001570541096 961987096 /nfs/dbraw/zinc/98/70/96/961987096.db2.gz XGTNKZMIPFNHHX-AWEZNQCLSA-N 1 1 296.842 3.018 20 30 CGEDMO C#CCCCCCC(=O)N1CCC[C@@H]1C[N@H+](C)CC(=C)C ZINC001570538785 961990637 /nfs/dbraw/zinc/99/06/37/961990637.db2.gz SMBNZCAVJDFMIO-QGZVFWFLSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)c1sc(C)cc1C ZINC001570713946 962058873 /nfs/dbraw/zinc/05/88/73/962058873.db2.gz DQLCXUCDVXZTRQ-ZDUSSCGKSA-N 1 1 294.464 3.381 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@H](C)[N@H+](C)C[C@H](C)CC ZINC001570714474 962059439 /nfs/dbraw/zinc/05/94/39/962059439.db2.gz PRZOEIKZUWSYHK-KGLIPLIRSA-N 1 1 268.445 3.071 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C)CC ZINC001570816047 962092975 /nfs/dbraw/zinc/09/29/75/962092975.db2.gz PMNCRTGJHRYBQJ-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)[C@H](CC)CCCC)CC1 ZINC001571328546 962136223 /nfs/dbraw/zinc/13/62/23/962136223.db2.gz YMOFHNYVZRBZAV-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@@H](C)CCC)CC1 ZINC001571329741 962137589 /nfs/dbraw/zinc/13/75/89/962137589.db2.gz MQXZCOLYHLJUPZ-LBPRGKRZSA-N 1 1 286.847 3.098 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)C(C)C)[C@H]1C ZINC001571514852 962167502 /nfs/dbraw/zinc/16/75/02/962167502.db2.gz KXQNVTSHMPXGOL-CVEARBPZSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C=C(CC)CC)[C@@H]1C ZINC001571517246 962167584 /nfs/dbraw/zinc/16/75/84/962167584.db2.gz PTEKPPOJKZETHV-HOCLYGCPSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)CCC(=C)C)CCC[C@H]12 ZINC001571500190 962167787 /nfs/dbraw/zinc/16/77/87/962167787.db2.gz ATFJQWRVOIORLS-DOTOQJQBSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)CC(C)(C)C)[C@@H]1C ZINC001571515555 962169746 /nfs/dbraw/zinc/16/97/46/962169746.db2.gz UAPKZHDTVHYXLQ-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)/C=C(/C)CC)CCC[C@H]12 ZINC001571499006 962170914 /nfs/dbraw/zinc/17/09/14/962170914.db2.gz LPOXCYVJQBADLF-BAYDZXBMSA-N 1 1 296.842 3.208 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)/C=C(/C)CC)CCC[C@H]12 ZINC001571499006 962170921 /nfs/dbraw/zinc/17/09/21/962170921.db2.gz LPOXCYVJQBADLF-BAYDZXBMSA-N 1 1 296.842 3.208 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)[C@@]2(C)CC=CCC2)CC1 ZINC001571688151 962207069 /nfs/dbraw/zinc/20/70/69/962207069.db2.gz CPUNEZKOXPKOQZ-SFHVURJKSA-N 1 1 288.435 3.057 20 30 CGEDMO C=CCC[C@H]1CCC[N@H+]1C[C@H](CN)c1ccc(OC)cc1 ZINC001574901713 962333550 /nfs/dbraw/zinc/33/35/50/962333550.db2.gz PXWZDHIHQFNFBM-IRXDYDNUSA-N 1 1 288.435 3.168 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1C[C@H](CN)c1ccc(OC)cc1 ZINC001574901713 962333568 /nfs/dbraw/zinc/33/35/68/962333568.db2.gz PXWZDHIHQFNFBM-IRXDYDNUSA-N 1 1 288.435 3.168 20 30 CGEDMO CCCCCCC[N@H+]1Cc2cccc(-c3nn[nH]n3)c2C1 ZINC001577505987 962555714 /nfs/dbraw/zinc/55/57/14/962555714.db2.gz QQHXWPTYKCOURA-UHFFFAOYSA-N 1 1 285.395 3.153 20 30 CGEDMO N#CC1(C[NH2+]Cc2c(C3CC3)nc3sccn23)CCC1 ZINC000573345977 334930001 /nfs/dbraw/zinc/93/00/01/334930001.db2.gz UAYREOLDZZMVBW-UHFFFAOYSA-N 1 1 286.404 3.057 20 30 CGEDMO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1cccc(C#N)c1 ZINC000589990853 346820989 /nfs/dbraw/zinc/82/09/89/346820989.db2.gz FYQGDVMWBPEMNL-GFCCVEGCSA-N 1 1 279.318 3.420 20 30 CGEDMO C=CC[C@@H]1CC[C@@H]([NH2+]C2CCN(CC3CC3)CC2)C1 ZINC000651682217 398268607 /nfs/dbraw/zinc/26/86/07/398268607.db2.gz QHMNHAHRCJQLML-RHSMWYFYSA-N 1 1 262.441 3.195 20 30 CGEDMO CC(C)n1cc(C2=CCC[N@H+]([C@@H]3CC[C@H](C#N)C3)CC2)nn1 ZINC000590659208 346861060 /nfs/dbraw/zinc/86/10/60/346861060.db2.gz YHZZZIQENIGTAN-GOEBONIOSA-N 1 1 299.422 3.030 20 30 CGEDMO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccc3cncn3c2)C1 ZINC000651829282 398295119 /nfs/dbraw/zinc/29/51/19/398295119.db2.gz WRBQJLICQCSGFR-ZFWWWQNUSA-N 1 1 255.365 3.169 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@H](C3CCC3)C2)ccc1F ZINC000591061905 346897450 /nfs/dbraw/zinc/89/74/50/346897450.db2.gz NINUMTFZEBGIIP-AWEZNQCLSA-N 1 1 258.340 3.319 20 30 CGEDMO C[C@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C#N)o1 ZINC000294998636 199292084 /nfs/dbraw/zinc/29/20/84/199292084.db2.gz LCQWIGYFSLVIMZ-VHSXEESVSA-N 1 1 272.270 3.314 20 30 CGEDMO C[C@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)o1 ZINC000294998636 199292086 /nfs/dbraw/zinc/29/20/86/199292086.db2.gz LCQWIGYFSLVIMZ-VHSXEESVSA-N 1 1 272.270 3.314 20 30 CGEDMO C[N@H+](Cc1ccncc1C#N)[C@@H]1CCCc2ccccc21 ZINC000592056184 346958468 /nfs/dbraw/zinc/95/84/68/346958468.db2.gz XNAYRYLOXNUFMD-GOSISDBHSA-N 1 1 277.371 3.463 20 30 CGEDMO C[N@@H+](Cc1ccncc1C#N)[C@@H]1CCCc2ccccc21 ZINC000592056184 346958472 /nfs/dbraw/zinc/95/84/72/346958472.db2.gz XNAYRYLOXNUFMD-GOSISDBHSA-N 1 1 277.371 3.463 20 30 CGEDMO N#Cc1cnccc1C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000592095457 346962767 /nfs/dbraw/zinc/96/27/67/346962767.db2.gz XONCXMIEIUNWNQ-OAHLLOKOSA-N 1 1 269.373 3.256 20 30 CGEDMO N#CC[C@@]1(O)CC[N@@H+](Cc2ccc(C3CCCC3)cc2)C1 ZINC000592155131 346968037 /nfs/dbraw/zinc/96/80/37/346968037.db2.gz YJCDVEZFABZGDS-GOSISDBHSA-N 1 1 284.403 3.195 20 30 CGEDMO C[N@H+](Cc1ccncc1C#N)C(C)(C)c1ccccc1 ZINC000592121084 346964361 /nfs/dbraw/zinc/96/43/61/346964361.db2.gz MTYXOGYACHKWAE-UHFFFAOYSA-N 1 1 265.360 3.320 20 30 CGEDMO C[N@@H+](Cc1ccncc1C#N)C(C)(C)c1ccccc1 ZINC000592121084 346964363 /nfs/dbraw/zinc/96/43/63/346964363.db2.gz MTYXOGYACHKWAE-UHFFFAOYSA-N 1 1 265.360 3.320 20 30 CGEDMO C[C@H](C1CCCCC1)[N@@H+](C)Cc1ccncc1C#N ZINC000592122080 346964895 /nfs/dbraw/zinc/96/48/95/346964895.db2.gz WTWGKOLOZMFVOZ-CYBMUJFWSA-N 1 1 257.381 3.354 20 30 CGEDMO N#CCc1ccc(C[NH2+]Cc2nc3c(s2)CCCC3)cc1 ZINC000592371091 346979566 /nfs/dbraw/zinc/97/95/66/346979566.db2.gz DZMOVMYBPBCDCJ-UHFFFAOYSA-N 1 1 297.427 3.378 20 30 CGEDMO C[C@@]1(c2cccc(F)c2)CC[N@H+](CC2(C#N)CC2)C1 ZINC000593040891 347030910 /nfs/dbraw/zinc/03/09/10/347030910.db2.gz NUINCEZASCCMQB-OAHLLOKOSA-N 1 1 258.340 3.093 20 30 CGEDMO C[C@@]1(c2cccc(F)c2)CC[N@@H+](CC2(C#N)CC2)C1 ZINC000593040891 347030912 /nfs/dbraw/zinc/03/09/12/347030912.db2.gz NUINCEZASCCMQB-OAHLLOKOSA-N 1 1 258.340 3.093 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)CC1CC1 ZINC000356063032 529984042 /nfs/dbraw/zinc/98/40/42/529984042.db2.gz LPDWIZNKGBZVAA-UHFFFAOYSA-N 1 1 268.282 3.419 20 30 CGEDMO CC[C@@H](NCc1ccc(C[NH3+])cc1F)c1ccc(C#N)cc1 ZINC000593324455 347062854 /nfs/dbraw/zinc/06/28/54/347062854.db2.gz WNAXJMSPEQVWAR-GOSISDBHSA-N 1 1 297.377 3.397 20 30 CGEDMO CCC[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000030269728 344922163 /nfs/dbraw/zinc/92/21/63/344922163.db2.gz JKTGCEMDCIYKNU-NSHDSACASA-N 1 1 293.798 3.271 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000029532391 344918139 /nfs/dbraw/zinc/91/81/39/344918139.db2.gz NZQOBTZOLQYTBR-GOSISDBHSA-N 1 1 278.355 3.132 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCO[C@@H](c3ccccc3)C2)cc1 ZINC000029532391 344918141 /nfs/dbraw/zinc/91/81/41/344918141.db2.gz NZQOBTZOLQYTBR-GOSISDBHSA-N 1 1 278.355 3.132 20 30 CGEDMO CC1=C(Br)C[N@H+]([C@@H](C)CCC#N)CC1 ZINC000298616721 263222918 /nfs/dbraw/zinc/22/29/18/263222918.db2.gz UKNMYQYVHSRMRU-JTQLQIEISA-N 1 1 257.175 3.053 20 30 CGEDMO CC1=C(Br)C[N@@H+]([C@@H](C)CCC#N)CC1 ZINC000298616721 263222919 /nfs/dbraw/zinc/22/29/19/263222919.db2.gz UKNMYQYVHSRMRU-JTQLQIEISA-N 1 1 257.175 3.053 20 30 CGEDMO C[N@@H+](CCCOc1ccccc1)Cc1ccccc1C#N ZINC000048057141 345060069 /nfs/dbraw/zinc/06/00/69/345060069.db2.gz LCLOCPQXTVRUSY-UHFFFAOYSA-N 1 1 280.371 3.459 20 30 CGEDMO C[C@H](C#N)C[N@H+](C)CCCOc1ccc(Cl)cc1 ZINC000064796515 345264450 /nfs/dbraw/zinc/26/44/50/345264450.db2.gz LWHORRKXFPXTMY-GFCCVEGCSA-N 1 1 266.772 3.200 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C)CCCOc1ccc(Cl)cc1 ZINC000064796515 345264452 /nfs/dbraw/zinc/26/44/52/345264452.db2.gz LWHORRKXFPXTMY-GFCCVEGCSA-N 1 1 266.772 3.200 20 30 CGEDMO C#CC[N@H+](Cc1nc(-c2ccco2)no1)C1CCCCC1 ZINC000065960280 345282087 /nfs/dbraw/zinc/28/20/87/345282087.db2.gz YRENANPBWPZDAG-UHFFFAOYSA-N 1 1 285.347 3.098 20 30 CGEDMO C#CC[N@@H+](Cc1nc(-c2ccco2)no1)C1CCCCC1 ZINC000065960280 345282088 /nfs/dbraw/zinc/28/20/88/345282088.db2.gz YRENANPBWPZDAG-UHFFFAOYSA-N 1 1 285.347 3.098 20 30 CGEDMO CC[C@@H]1C[C@H](C)C[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000072698318 345416037 /nfs/dbraw/zinc/41/60/37/345416037.db2.gz PODSTSMBOYMUNP-XJKSGUPXSA-N 1 1 285.391 3.007 20 30 CGEDMO N#CCCCC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000070976518 345400153 /nfs/dbraw/zinc/40/01/53/345400153.db2.gz FAPNZMONRCLZAG-INIZCTEOSA-N 1 1 288.391 3.067 20 30 CGEDMO N#CCSCCC[N@@H+](C1CC1)C1CCCCC1 ZINC000074981748 345488796 /nfs/dbraw/zinc/48/87/96/345488796.db2.gz FBWFICOHFRNWQU-UHFFFAOYSA-N 1 1 252.427 3.430 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC2(C1)CCOCC2 ZINC000076156984 345536501 /nfs/dbraw/zinc/53/65/01/345536501.db2.gz LTWCJMLKXUZKSP-CQSZACIVSA-N 1 1 270.376 3.122 20 30 CGEDMO Cn1c2ccccc2[nH+]c1NCc1cccc(C#N)c1 ZINC000079044633 345629267 /nfs/dbraw/zinc/62/92/67/345629267.db2.gz ZIBGHSZFSMGCLE-UHFFFAOYSA-N 1 1 262.316 3.057 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000084135067 345729814 /nfs/dbraw/zinc/72/98/14/345729814.db2.gz KVINKYXHKQWWRB-MRXNPFEDSA-N 1 1 271.360 3.391 20 30 CGEDMO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCCCC#N ZINC000084116655 345729940 /nfs/dbraw/zinc/72/99/40/345729940.db2.gz SRNWJYRGPRKRCE-INIZCTEOSA-N 1 1 282.391 3.404 20 30 CGEDMO C[N@@H+](CCc1cccc(Nc2ncccc2C#N)c1)C1CC1 ZINC000091632135 345819922 /nfs/dbraw/zinc/81/99/22/345819922.db2.gz ANQSQQOVOAXLDD-UHFFFAOYSA-N 1 1 292.386 3.334 20 30 CGEDMO C[C@@H]1C[C@@H](Nc2c(C#N)cnc3ccccc32)CC[N@H+]1C ZINC000090795376 345793675 /nfs/dbraw/zinc/79/36/75/345793675.db2.gz ZFRHSGLHWOZWKX-OCCSQVGLSA-N 1 1 280.375 3.001 20 30 CGEDMO CCCC[N@@H+](C)CCNc1ccc2cc(C#N)ccc2n1 ZINC000092897624 345862059 /nfs/dbraw/zinc/86/20/59/345862059.db2.gz RXJDFMBNHKNMJL-UHFFFAOYSA-N 1 1 282.391 3.250 20 30 CGEDMO C#CCOc1ccc(C[N@H+](C)C2CCC(OC)CC2)cc1 ZINC000093415045 345877763 /nfs/dbraw/zinc/87/77/63/345877763.db2.gz CZPIAHCYYAMQHQ-UHFFFAOYSA-N 1 1 287.403 3.088 20 30 CGEDMO CC[N@H+](Cc1ccoc1)Cc1ccc(C#N)cc1OC ZINC000120794827 345999477 /nfs/dbraw/zinc/99/94/77/345999477.db2.gz SOUGFPZTPZCGFE-UHFFFAOYSA-N 1 1 270.332 3.182 20 30 CGEDMO CC[N@@H+](Cc1ccoc1)Cc1ccc(C#N)cc1OC ZINC000120794827 345999478 /nfs/dbraw/zinc/99/94/78/345999478.db2.gz SOUGFPZTPZCGFE-UHFFFAOYSA-N 1 1 270.332 3.182 20 30 CGEDMO C[N@@H+](CCOc1ccccc1C#N)C1Cc2ccccc2C1 ZINC000141295666 346107777 /nfs/dbraw/zinc/10/77/77/346107777.db2.gz IJKQYVTXCKJNPR-UHFFFAOYSA-N 1 1 292.382 3.036 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](OC)C2)c1 ZINC000188303574 346262125 /nfs/dbraw/zinc/26/21/25/346262125.db2.gz WSTDKMSAXFVFSM-PBHICJAKSA-N 1 1 275.392 3.108 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+]Cc1cc(Br)cs1 ZINC000309584319 346469633 /nfs/dbraw/zinc/46/96/33/346469633.db2.gz UTEVFTGUKYQIEN-SECBINFHSA-N 1 1 298.209 3.044 20 30 CGEDMO N#CC1(C[NH2+]Cc2c[nH]nc2-c2cccs2)CCCC1 ZINC000593650566 347099031 /nfs/dbraw/zinc/09/90/31/347099031.db2.gz VERDXKRESKZZAS-UHFFFAOYSA-N 1 1 286.404 3.312 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCCNc1ncc(C#N)cc1Cl ZINC000339227747 215025918 /nfs/dbraw/zinc/02/59/18/215025918.db2.gz CMEZELGGSBZJMM-GFCCVEGCSA-N 1 1 292.814 3.283 20 30 CGEDMO CCn1cc(C[N@H+](Cc2cc(C#N)cs2)C(C)C)cn1 ZINC000593676467 347102623 /nfs/dbraw/zinc/10/26/23/347102623.db2.gz KHCZDCKZQRLSBX-UHFFFAOYSA-N 1 1 288.420 3.247 20 30 CGEDMO CCn1cc(C[N@@H+](Cc2cc(C#N)cs2)C(C)C)cn1 ZINC000593676467 347102628 /nfs/dbraw/zinc/10/26/28/347102628.db2.gz KHCZDCKZQRLSBX-UHFFFAOYSA-N 1 1 288.420 3.247 20 30 CGEDMO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1cc(C#N)cs1 ZINC000593662036 347102276 /nfs/dbraw/zinc/10/22/76/347102276.db2.gz XHVPFPKSSJFXAO-OLZOCXBDSA-N 1 1 264.394 3.009 20 30 CGEDMO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1cc(C#N)cs1 ZINC000593662036 347102278 /nfs/dbraw/zinc/10/22/78/347102278.db2.gz XHVPFPKSSJFXAO-OLZOCXBDSA-N 1 1 264.394 3.009 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000397647436 346583695 /nfs/dbraw/zinc/58/36/95/346583695.db2.gz LFGCCIYNFLWARS-NSHDSACASA-N 1 1 250.292 3.090 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000397647436 346583698 /nfs/dbraw/zinc/58/36/98/346583698.db2.gz LFGCCIYNFLWARS-NSHDSACASA-N 1 1 250.292 3.090 20 30 CGEDMO N#CC1(CN[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCCC1 ZINC000405090117 346602587 /nfs/dbraw/zinc/60/25/87/346602587.db2.gz PRJRQUYBMXPWTI-GOSISDBHSA-N 1 1 297.446 3.325 20 30 CGEDMO N#CC1(CN[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000405090117 346602592 /nfs/dbraw/zinc/60/25/92/346602592.db2.gz PRJRQUYBMXPWTI-GOSISDBHSA-N 1 1 297.446 3.325 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000585754118 346729511 /nfs/dbraw/zinc/72/95/11/346729511.db2.gz RBONIFBYLAARAJ-SJORKVTESA-N 1 1 270.376 3.010 20 30 CGEDMO CC(C)C[N@@H+](C)CCCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000593716532 347106401 /nfs/dbraw/zinc/10/64/01/347106401.db2.gz RQNXECJAKGWFAJ-CQSZACIVSA-N 1 1 291.414 3.326 20 30 CGEDMO Cc1cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)cc(C)c1O ZINC000589173186 346787052 /nfs/dbraw/zinc/78/70/52/346787052.db2.gz MWDLZMZBKXZLMF-INIZCTEOSA-N 1 1 258.365 3.135 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@@](C)(C#N)C2)cc(C)c1O ZINC000589173186 346787055 /nfs/dbraw/zinc/78/70/55/346787055.db2.gz MWDLZMZBKXZLMF-INIZCTEOSA-N 1 1 258.365 3.135 20 30 CGEDMO CCC(CC)C[N@@H+](CCN(C)C)Cc1ccc(C#N)cc1 ZINC000589194544 346788958 /nfs/dbraw/zinc/78/89/58/346788958.db2.gz ONVPQTSNIKMIBR-UHFFFAOYSA-N 1 1 287.451 3.358 20 30 CGEDMO CCC(CC)CN(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000589194544 346788960 /nfs/dbraw/zinc/78/89/60/346788960.db2.gz ONVPQTSNIKMIBR-UHFFFAOYSA-N 1 1 287.451 3.358 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)c1F ZINC000594026906 347139258 /nfs/dbraw/zinc/13/92/58/347139258.db2.gz PUUXJFBPCBJQQN-MRXNPFEDSA-N 1 1 288.366 3.231 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](OC3CCC3)C2)c1F ZINC000594026906 347139262 /nfs/dbraw/zinc/13/92/62/347139262.db2.gz PUUXJFBPCBJQQN-MRXNPFEDSA-N 1 1 288.366 3.231 20 30 CGEDMO CC(C)(C#N)CC[NH2+][C@@H](Cc1ccccc1)c1ncco1 ZINC000594055296 347145973 /nfs/dbraw/zinc/14/59/73/347145973.db2.gz KMOMZIPOAWOJCF-HNNXBMFYSA-N 1 1 283.375 3.488 20 30 CGEDMO C[C@]1(c2ccc(F)cc2)CC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000593983702 347129778 /nfs/dbraw/zinc/12/97/78/347129778.db2.gz IYQVUFLIJJKKGP-SFHVURJKSA-N 1 1 295.361 3.256 20 30 CGEDMO N#Cc1cc(F)c(N[C@H]2CCC[N@H+]3CCCC[C@H]23)c(F)c1 ZINC000594603425 347201234 /nfs/dbraw/zinc/20/12/34/347201234.db2.gz VDFHYSVTALZVEM-LSDHHAIUSA-N 1 1 291.345 3.265 20 30 CGEDMO N#Cc1ccc(C2([NH2+][C@H]3CCCn4ccnc43)CCC2)cc1 ZINC000594517622 347187489 /nfs/dbraw/zinc/18/74/89/347187489.db2.gz KZWJBYJMAWOKQG-INIZCTEOSA-N 1 1 292.386 3.259 20 30 CGEDMO CC(C)(C)c1n[nH]cc1C[NH2+]CC1(C#N)CCCCC1 ZINC000594993167 347251134 /nfs/dbraw/zinc/25/11/34/347251134.db2.gz ALAWYINGSDATDP-UHFFFAOYSA-N 1 1 274.412 3.271 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(C)nc(C)n1 ZINC000595289930 347287171 /nfs/dbraw/zinc/28/71/71/347287171.db2.gz HRQPULHSULXWRL-UHFFFAOYSA-N 1 1 294.402 3.377 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCC[C@@H]2c2ccncc2)cc1 ZINC000595395960 347298324 /nfs/dbraw/zinc/29/83/24/347298324.db2.gz ADVAGOLPWJMPSZ-GOSISDBHSA-N 1 1 277.371 3.333 20 30 CGEDMO C[C@@H](N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(C#N)cc1 ZINC000595056854 347272592 /nfs/dbraw/zinc/27/25/92/347272592.db2.gz RNSZJTRJSJCTSO-CZUORRHYSA-N 1 1 271.408 3.082 20 30 CGEDMO C[C@@H](N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(C#N)cc1 ZINC000595056854 347272596 /nfs/dbraw/zinc/27/25/96/347272596.db2.gz RNSZJTRJSJCTSO-CZUORRHYSA-N 1 1 271.408 3.082 20 30 CGEDMO Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595610747 347326494 /nfs/dbraw/zinc/32/64/94/347326494.db2.gz BGHICJDJRWNUAQ-HOTGVXAUSA-N 1 1 299.418 3.256 20 30 CGEDMO Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595610747 347326497 /nfs/dbraw/zinc/32/64/97/347326497.db2.gz BGHICJDJRWNUAQ-HOTGVXAUSA-N 1 1 299.418 3.256 20 30 CGEDMO N#CC[C@H]1CCC[N@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000595613375 347327173 /nfs/dbraw/zinc/32/71/73/347327173.db2.gz CEEKRHSHGFMSKH-WBMJQRKESA-N 1 1 258.340 3.439 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](CCCc2cccc(F)c2)C1 ZINC000595620222 347328536 /nfs/dbraw/zinc/32/85/36/347328536.db2.gz KNICGLUTHHBOEH-OAHLLOKOSA-N 1 1 260.356 3.384 20 30 CGEDMO COCC[C@H](c1ccccc1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595621509 347328704 /nfs/dbraw/zinc/32/87/04/347328704.db2.gz VTHIXWZUICFJOR-NVXWUHKLSA-N 1 1 272.392 3.390 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+]([C@H](C(=O)OC)c2ccsc2)C1 ZINC000595659811 347334126 /nfs/dbraw/zinc/33/41/26/347334126.db2.gz PLTBGNMCIMSVRR-OCCSQVGLSA-N 1 1 279.405 3.250 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@H](C(=O)OC)c2ccsc2)C1 ZINC000595659811 347334127 /nfs/dbraw/zinc/33/41/27/347334127.db2.gz PLTBGNMCIMSVRR-OCCSQVGLSA-N 1 1 279.405 3.250 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000595657734 347334220 /nfs/dbraw/zinc/33/42/20/347334220.db2.gz BODMDAFYUUTGCV-CABCVRRESA-N 1 1 297.402 3.173 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(C(=O)OC)o2)C1 ZINC000595660972 347335676 /nfs/dbraw/zinc/33/56/76/347335676.db2.gz UVAFAXJDUJJJRK-QWHCGFSZSA-N 1 1 277.364 3.415 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@H](C(=O)OC)[C@@H]2CCCC[C@@H]21 ZINC000595729757 347347998 /nfs/dbraw/zinc/34/79/98/347347998.db2.gz FSRKPYXAMIHKAK-KKUMJFAQSA-N 1 1 265.397 3.006 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](CCF)C1 ZINC000595754821 347350730 /nfs/dbraw/zinc/35/07/30/347350730.db2.gz CRKHJACNSVVDOD-GFCCVEGCSA-N 1 1 291.326 3.038 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](CCF)C1 ZINC000595754821 347350733 /nfs/dbraw/zinc/35/07/33/347350733.db2.gz CRKHJACNSVVDOD-GFCCVEGCSA-N 1 1 291.326 3.038 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@H](CCF)C2)ccc1C#N ZINC000595755505 347350910 /nfs/dbraw/zinc/35/09/10/347350910.db2.gz NBBPKJAHTFFXKG-CQSZACIVSA-N 1 1 260.356 3.438 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)cc1 ZINC000595786817 347356043 /nfs/dbraw/zinc/35/60/43/347356043.db2.gz HSVPTKWJGRPUGI-MSOLQXFVSA-N 1 1 284.403 3.339 20 30 CGEDMO CN(CCC[N@@H+](C)Cc1ccco1)[C@H](C#N)c1ccccc1 ZINC000595483784 347309783 /nfs/dbraw/zinc/30/97/83/347309783.db2.gz MCUYHMHUEKMFAG-GOSISDBHSA-N 1 1 297.402 3.298 20 30 CGEDMO Cc1ccc2c(c1)C[N@H+](CCc1ccc(C#N)cc1)CCO2 ZINC000595483362 347310080 /nfs/dbraw/zinc/31/00/80/347310080.db2.gz LSLOKHVTSZWLOK-UHFFFAOYSA-N 1 1 292.382 3.304 20 30 CGEDMO C[C@@]12C[N@@H+](CCc3ccc(C#N)cc3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000595510582 347313548 /nfs/dbraw/zinc/31/35/48/347313548.db2.gz NFPFMLUXOVXBDD-XWSJACJDSA-N 1 1 278.399 3.245 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](CCCCOc2ccccc2)C1 ZINC000595836912 347364749 /nfs/dbraw/zinc/36/47/49/347364749.db2.gz BESCNYWFXAOCOF-MRXNPFEDSA-N 1 1 258.365 3.081 20 30 CGEDMO CC(C)[C@@](C)(CN)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000595892415 347371091 /nfs/dbraw/zinc/37/10/91/347371091.db2.gz QOCLPRAQNXEVEV-CQSZACIVSA-N 1 1 299.340 3.040 20 30 CGEDMO CCC[N@H+]1CC[C@H](Nc2nc(C(C)(C)C)ccc2C#N)C1 ZINC000596518901 347473423 /nfs/dbraw/zinc/47/34/23/347473423.db2.gz ZCVWMTKPAGSEFG-AWEZNQCLSA-N 1 1 286.423 3.147 20 30 CGEDMO COc1cc(C)c(C[N@H+]2CCC[C@@H](CC#N)C2)cc1OC ZINC000597175120 347544028 /nfs/dbraw/zinc/54/40/28/347544028.db2.gz WWRNQPLURDQPCR-AWEZNQCLSA-N 1 1 288.391 3.138 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc3cnccc3c2)C1 ZINC000597175520 347544366 /nfs/dbraw/zinc/54/43/66/347544366.db2.gz BJPZPQVATHBXCM-CQSZACIVSA-N 1 1 265.360 3.360 20 30 CGEDMO CCOc1cc(C[N@H+]2CCC[C@H](CC#N)C2)ccc1OC ZINC000597174410 347544405 /nfs/dbraw/zinc/54/44/05/347544405.db2.gz PYMVCNGLHUPQPB-CQSZACIVSA-N 1 1 288.391 3.220 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000597175490 347544466 /nfs/dbraw/zinc/54/44/66/347544466.db2.gz BEXXFBUSLIGJJR-GFCCVEGCSA-N 1 1 286.404 3.264 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cccc(OC3CC3)c2F)C1 ZINC000597175698 347544473 /nfs/dbraw/zinc/54/44/73/347544473.db2.gz CZPUMOZDSUFKPX-ZDUSSCGKSA-N 1 1 288.366 3.493 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2cccc(OC3CC3)c2F)C1 ZINC000597175698 347544475 /nfs/dbraw/zinc/54/44/75/347544475.db2.gz CZPUMOZDSUFKPX-ZDUSSCGKSA-N 1 1 288.366 3.493 20 30 CGEDMO Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000597176625 347545021 /nfs/dbraw/zinc/54/50/21/347545021.db2.gz IVEUCGHGRWUISQ-OAHLLOKOSA-N 1 1 288.439 3.381 20 30 CGEDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597012633 347527778 /nfs/dbraw/zinc/52/77/78/347527778.db2.gz XNJVYPNLYSHAFU-KGLIPLIRSA-N 1 1 254.377 3.472 20 30 CGEDMO Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000597176622 347545354 /nfs/dbraw/zinc/54/53/54/347545354.db2.gz IVEUCGHGRWUISQ-HNNXBMFYSA-N 1 1 288.439 3.381 20 30 CGEDMO C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)Cc1cccnc1 ZINC000597075037 347533077 /nfs/dbraw/zinc/53/30/77/347533077.db2.gz IRBHSVSTJZYMNC-UHFFFAOYSA-N 1 1 277.371 3.269 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@@H](C2CC2)O1 ZINC000597114877 347536629 /nfs/dbraw/zinc/53/66/29/347536629.db2.gz CGJKVDIABOLHQJ-KSSFIOAISA-N 1 1 296.414 3.241 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000597173574 347543153 /nfs/dbraw/zinc/54/31/53/347543153.db2.gz KFICZMWECNGUFY-ZBKLQPJUSA-N 1 1 285.347 3.234 20 30 CGEDMO COc1ccc(C[C@@H](C)C[N@H+]2CC[C@](C)(C#N)C2)cc1F ZINC000597231399 347558363 /nfs/dbraw/zinc/55/83/63/347558363.db2.gz NIUUAZXFGUYHFB-CXAGYDPISA-N 1 1 290.382 3.248 20 30 CGEDMO COCc1ccccc1/C=C(/C)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597233187 347559791 /nfs/dbraw/zinc/55/97/91/347559791.db2.gz ZVXYYEBRIWQWIH-QWSHFYNQSA-N 1 1 284.403 3.472 20 30 CGEDMO COCc1ccccc1/C=C(/C)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000597233187 347559794 /nfs/dbraw/zinc/55/97/94/347559794.db2.gz ZVXYYEBRIWQWIH-QWSHFYNQSA-N 1 1 284.403 3.472 20 30 CGEDMO Cc1ccc2c(c1)C[N@@H+](Cc1ccc(C#N)o1)CC2 ZINC000597183279 347546318 /nfs/dbraw/zinc/54/63/18/347546318.db2.gz GQCUTUUDVCXOFV-UHFFFAOYSA-N 1 1 252.317 3.018 20 30 CGEDMO Cc1ccc2c(c1)C[N@H+](Cc1ccc(C#N)o1)CC2 ZINC000597183279 347546320 /nfs/dbraw/zinc/54/63/20/347546320.db2.gz GQCUTUUDVCXOFV-UHFFFAOYSA-N 1 1 252.317 3.018 20 30 CGEDMO N#CCC1C[NH+](Cc2ccccc2OCc2cccnc2)C1 ZINC000597194244 347548581 /nfs/dbraw/zinc/54/85/81/347548581.db2.gz PIAQMTBPWFUWAP-UHFFFAOYSA-N 1 1 293.370 3.006 20 30 CGEDMO N#CCC1C[NH+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000597194736 347548670 /nfs/dbraw/zinc/54/86/70/347548670.db2.gz ZHIFSYLSGNCETE-UHFFFAOYSA-N 1 1 293.370 3.006 20 30 CGEDMO CCC(C#N)(CC)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000599081153 347715023 /nfs/dbraw/zinc/71/50/23/347715023.db2.gz SOOGKJLNRNTTDN-OAHLLOKOSA-N 1 1 293.455 3.087 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@H]1c1cccs1 ZINC000598584646 347666305 /nfs/dbraw/zinc/66/63/05/347666305.db2.gz QUFHKJJMQLBXQE-OLZOCXBDSA-N 1 1 278.421 3.186 20 30 CGEDMO Cc1ccc([C@@H]2CCC[N@H+]2C[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598585006 347666593 /nfs/dbraw/zinc/66/65/93/347666593.db2.gz NHGFKGSLYCLQQB-IRXDYDNUSA-N 1 1 286.419 3.433 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@@H+](Cc1cccs1)C1CC1 ZINC000598587199 347666617 /nfs/dbraw/zinc/66/66/17/347666617.db2.gz OZPKAYRICXNZLU-ZDUSSCGKSA-N 1 1 278.421 3.013 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)CC(C)(C)C#N ZINC000598585423 347666719 /nfs/dbraw/zinc/66/67/19/347666719.db2.gz CZOWFWAEOKVWSO-QGZVFWFLSA-N 1 1 299.418 3.071 20 30 CGEDMO C[C@H](c1cccs1)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598586424 347667053 /nfs/dbraw/zinc/66/70/53/347667053.db2.gz UPXGEFMIPUWWMH-NEPJUHHUSA-N 1 1 266.410 3.042 20 30 CGEDMO C/C=C\C[C@H]1CCC[N@@H+](Cc2ccncc2C#N)C1 ZINC000599690955 347766616 /nfs/dbraw/zinc/76/66/16/347766616.db2.gz PROLUDGDDCLNMP-SFAKSCPVSA-N 1 1 255.365 3.131 20 30 CGEDMO C/C=C\C[C@H]1CCC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000599691183 347766750 /nfs/dbraw/zinc/76/67/50/347766750.db2.gz QXNLLTKTPLHESV-SFAKSCPVSA-N 1 1 255.365 3.131 20 30 CGEDMO COc1cc(C[N@@H+](C)Cc2ccc(C)c(C#N)c2)ccc1O ZINC000599285431 347731671 /nfs/dbraw/zinc/73/16/71/347731671.db2.gz SLDCQIUYFVPXNH-UHFFFAOYSA-N 1 1 296.370 3.213 20 30 CGEDMO CC[C@@H]1C[N@@H+](Cc2ccc(C)c(C#N)c2)CCS1 ZINC000599303773 347733518 /nfs/dbraw/zinc/73/35/18/347733518.db2.gz SCTPXYRKQLZLTN-OAHLLOKOSA-N 1 1 260.406 3.194 20 30 CGEDMO CCOC(=O)C[N@H+](Cc1ccc(C)c(C#N)c1)C(C)(C)C ZINC000599311996 347734612 /nfs/dbraw/zinc/73/46/12/347734612.db2.gz PRDGQJAGNXIXHB-UHFFFAOYSA-N 1 1 288.391 3.030 20 30 CGEDMO CCOC(=O)C[N@@H+](Cc1ccc(C)c(C#N)c1)C(C)(C)C ZINC000599311996 347734614 /nfs/dbraw/zinc/73/46/14/347734614.db2.gz PRDGQJAGNXIXHB-UHFFFAOYSA-N 1 1 288.391 3.030 20 30 CGEDMO CC(C)C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000599470019 347747714 /nfs/dbraw/zinc/74/77/14/347747714.db2.gz OOGVFYDPJZLMKQ-GJZGRUSLSA-N 1 1 294.439 3.368 20 30 CGEDMO CC(C)C[C@@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000599470019 347747717 /nfs/dbraw/zinc/74/77/17/347747717.db2.gz OOGVFYDPJZLMKQ-GJZGRUSLSA-N 1 1 294.439 3.368 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H](C)C1(F)F ZINC000599513724 347749040 /nfs/dbraw/zinc/74/90/40/347749040.db2.gz SYRJIVXYRKULAI-TXEJJXNPSA-N 1 1 264.319 3.281 20 30 CGEDMO N#CCCOCC[N@@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000599515552 347749970 /nfs/dbraw/zinc/74/99/70/347749970.db2.gz FJQTXJIPLAFQDJ-AWEZNQCLSA-N 1 1 294.345 3.074 20 30 CGEDMO COc1cccc2c1C[N@H+](Cc1ccc(CC#N)cc1)C2 ZINC000599648046 347761239 /nfs/dbraw/zinc/76/12/39/347761239.db2.gz YYOTUHRQFHSJFK-UHFFFAOYSA-N 1 1 278.355 3.277 20 30 CGEDMO COc1cccc2c1C[N@@H+](Cc1ccc(CC#N)cc1)C2 ZINC000599648046 347761242 /nfs/dbraw/zinc/76/12/42/347761242.db2.gz YYOTUHRQFHSJFK-UHFFFAOYSA-N 1 1 278.355 3.277 20 30 CGEDMO Cc1cc(C)c(C[S@](=O)CCC(C)(C)C#N)c(C)[nH+]1 ZINC000600936295 347848426 /nfs/dbraw/zinc/84/84/26/347848426.db2.gz VELUVZFLQQTVDL-LJQANCHMSA-N 1 1 278.421 3.195 20 30 CGEDMO Cc1ncc([C@H](C)[NH2+]Cc2ccccc2C#N)s1 ZINC000601150436 347875636 /nfs/dbraw/zinc/87/56/36/347875636.db2.gz ZYXRQNFYMJKJFL-JTQLQIEISA-N 1 1 257.362 3.174 20 30 CGEDMO CN(C)[C@H](C[NH2+]Cc1cccc(F)c1C#N)c1ccccc1 ZINC000601994885 347931609 /nfs/dbraw/zinc/93/16/09/347931609.db2.gz CYOKWBAPBCNPND-GOSISDBHSA-N 1 1 297.377 3.090 20 30 CGEDMO C[N@H+]1CC[C@@H](CSc2ccc(Cl)cc2C#N)C1 ZINC000601913128 347922851 /nfs/dbraw/zinc/92/28/51/347922851.db2.gz PPAQQFOTEHRQCV-SNVBAGLBSA-N 1 1 266.797 3.255 20 30 CGEDMO C[C@H](CCC#N)C[NH2+]CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 ZINC000602529769 347976420 /nfs/dbraw/zinc/97/64/20/347976420.db2.gz OSVIKEWNRIEKKU-PMPSAXMXSA-N 1 1 279.472 3.272 20 30 CGEDMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602430749 347956219 /nfs/dbraw/zinc/95/62/19/347956219.db2.gz PQVIKEGNLZCGNM-LBPRGKRZSA-N 1 1 269.323 3.285 20 30 CGEDMO N#Cc1cccc(C[N@@H+](Cc2ccccc2)C2CC2)n1 ZINC000602434543 347957098 /nfs/dbraw/zinc/95/70/98/347957098.db2.gz FWWGFTXATPLFQT-UHFFFAOYSA-N 1 1 263.344 3.118 20 30 CGEDMO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2N)C2CC2)cc1 ZINC000602441525 347959525 /nfs/dbraw/zinc/95/95/25/347959525.db2.gz OLMMMWJNSFPLCB-UHFFFAOYSA-N 1 1 295.361 3.444 20 30 CGEDMO C[N@@H+](CCCCc1ccccc1)Cc1cccc(C#N)n1 ZINC000602448964 347960186 /nfs/dbraw/zinc/96/01/86/347960186.db2.gz XDRLXMKQECJJJD-UHFFFAOYSA-N 1 1 279.387 3.408 20 30 CGEDMO N#Cc1cccc(OC2CC[NH+](Cc3ccns3)CC2)c1 ZINC000602452222 347961412 /nfs/dbraw/zinc/96/14/12/347961412.db2.gz JCFLTPLWVVKWNH-UHFFFAOYSA-N 1 1 299.399 3.058 20 30 CGEDMO CCC[N@@H+](C[C@H](C)CCC#N)C[C@H]1CCCCO1 ZINC000602463597 347962057 /nfs/dbraw/zinc/96/20/57/347962057.db2.gz IDIWEJMMOCMCAI-HUUCEWRRSA-N 1 1 252.402 3.207 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)n1 ZINC000602463605 347962182 /nfs/dbraw/zinc/96/21/82/347962182.db2.gz IJDKFROPYDTESF-AWEZNQCLSA-N 1 1 281.334 3.082 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C)Cc1nccn1Cc1ccccc1 ZINC000602466283 347962984 /nfs/dbraw/zinc/96/29/84/347962984.db2.gz CAOROYOSQVNDHP-INIZCTEOSA-N 1 1 296.418 3.303 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000602467920 347963017 /nfs/dbraw/zinc/96/30/17/347963017.db2.gz LAWGDOIUTZNECL-KBPBESRZSA-N 1 1 260.381 3.195 20 30 CGEDMO C[C@H](CCC#N)C[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000602468420 347963095 /nfs/dbraw/zinc/96/30/95/347963095.db2.gz NSIDBUZXWCRQGZ-MJGOQNOKSA-N 1 1 299.462 3.380 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000602468420 347963097 /nfs/dbraw/zinc/96/30/97/347963097.db2.gz NSIDBUZXWCRQGZ-MJGOQNOKSA-N 1 1 299.462 3.380 20 30 CGEDMO CCc1ccc([C@@H]2COCC[N@@H+]2C[C@@H](C)CCC#N)o1 ZINC000602471291 347964009 /nfs/dbraw/zinc/96/40/09/347964009.db2.gz BFNFUSWNNCURFC-ZFWWWQNUSA-N 1 1 276.380 3.155 20 30 CGEDMO CCc1ccc([C@@H]2COCC[N@H+]2C[C@@H](C)CCC#N)o1 ZINC000602471291 347964014 /nfs/dbraw/zinc/96/40/14/347964014.db2.gz BFNFUSWNNCURFC-ZFWWWQNUSA-N 1 1 276.380 3.155 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000602480117 347965670 /nfs/dbraw/zinc/96/56/70/347965670.db2.gz SYICQVHKCHOJSD-VNHYZAJKSA-N 1 1 278.421 3.450 20 30 CGEDMO CCS[C@@H](C)c1noc(C[N@H+](C)C[C@H](C)CCC#N)n1 ZINC000602483326 347966624 /nfs/dbraw/zinc/96/66/24/347966624.db2.gz GGAZXFFBDZKTHW-NEPJUHHUSA-N 1 1 296.440 3.255 20 30 CGEDMO CCS[C@@H](C)c1noc(C[N@@H+](C)C[C@H](C)CCC#N)n1 ZINC000602483326 347966627 /nfs/dbraw/zinc/96/66/27/347966627.db2.gz GGAZXFFBDZKTHW-NEPJUHHUSA-N 1 1 296.440 3.255 20 30 CGEDMO CO[C@]1(C)C[C@H]([N@@H+](C)C[C@H](C)CCC#N)C1(C)C ZINC000602482223 347967076 /nfs/dbraw/zinc/96/70/76/347967076.db2.gz HMHXRUDQRWEIEJ-VNHYZAJKSA-N 1 1 252.402 3.062 20 30 CGEDMO CCC[C@@H](C)[C@@H]1CCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602486977 347967809 /nfs/dbraw/zinc/96/78/09/347967809.db2.gz XQBRIFISKLQUQF-CJNGLKHVSA-N 1 1 257.381 3.354 20 30 CGEDMO N#Cc1cccc(C[NH2+]C2(c3ccc(F)cc3F)CCC2)n1 ZINC000602578254 347986396 /nfs/dbraw/zinc/98/63/96/347986396.db2.gz MGJSMUCRKCDPTI-UHFFFAOYSA-N 1 1 299.324 3.400 20 30 CGEDMO N#CCC1(C[N@H+]2CCS[C@@H](c3ccccc3)C2)CC1 ZINC000602785617 348027922 /nfs/dbraw/zinc/02/79/22/348027922.db2.gz WZWFJUZTQNNXKJ-OAHLLOKOSA-N 1 1 272.417 3.470 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000602606926 347991908 /nfs/dbraw/zinc/99/19/08/347991908.db2.gz OXTSPPXSIBSADZ-JKSUJKDBSA-N 1 1 272.392 3.327 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000602670658 348005771 /nfs/dbraw/zinc/00/57/71/348005771.db2.gz BJQLRIAYTFPGIS-UONOGXRCSA-N 1 1 258.365 3.209 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](CCN(C)C)Cc1ccsc1 ZINC000602686275 348008847 /nfs/dbraw/zinc/00/88/47/348008847.db2.gz AYDNDGNSVMLOTC-CQSZACIVSA-N 1 1 279.453 3.052 20 30 CGEDMO C[C@H](CCC#N)CN(CC[NH+](C)C)Cc1ccsc1 ZINC000602686275 348008848 /nfs/dbraw/zinc/00/88/48/348008848.db2.gz AYDNDGNSVMLOTC-CQSZACIVSA-N 1 1 279.453 3.052 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cccc(C#N)n2)CCc2ccc(F)cc21 ZINC000602703724 348013495 /nfs/dbraw/zinc/01/34/95/348013495.db2.gz CMCICFCYUIZMBH-ZDUSSCGKSA-N 1 1 295.361 3.254 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000602722821 348017927 /nfs/dbraw/zinc/01/79/27/348017927.db2.gz IAJDNDKVJHJGRF-ILXRZTDVSA-N 1 1 294.439 3.226 20 30 CGEDMO C/C=C/C[C@H]1CCC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602729004 348019154 /nfs/dbraw/zinc/01/91/54/348019154.db2.gz HAAZGRFDSIWLCL-HSWBROFVSA-N 1 1 255.365 3.131 20 30 CGEDMO COc1ccc(C[N@@H+](CC2(CC#N)CC2)C2CC2)cc1 ZINC000602756796 348023969 /nfs/dbraw/zinc/02/39/69/348023969.db2.gz QBGHBRQLIHOEFD-UHFFFAOYSA-N 1 1 270.376 3.353 20 30 CGEDMO Cc1cc(C)c(/C=C/C[NH+]2CCN(CCC#N)CC2)cc1C ZINC000602751379 348024177 /nfs/dbraw/zinc/02/41/77/348024177.db2.gz JWXHVXVKDHCFDR-GQCTYLIASA-N 1 1 297.446 3.156 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)CC1(CC#N)CC1 ZINC000602768491 348025729 /nfs/dbraw/zinc/02/57/29/348025729.db2.gz JGTJNUFRCATGSU-UHFFFAOYSA-N 1 1 267.376 3.463 20 30 CGEDMO N#CCC1(C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)CC1 ZINC000602779691 348027190 /nfs/dbraw/zinc/02/71/90/348027190.db2.gz MNLXYXQBPJRNIH-SFHVURJKSA-N 1 1 298.430 3.404 20 30 CGEDMO CC1=Nc2ccccc2C12CC[NH+](CC1(C#N)CC1)CC2 ZINC000602863513 348038534 /nfs/dbraw/zinc/03/85/34/348038534.db2.gz OWVQPIHSLWUTRQ-UHFFFAOYSA-N 1 1 279.387 3.430 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H](n2ccnn2)CC1 ZINC000602893657 348041030 /nfs/dbraw/zinc/04/10/30/348041030.db2.gz WHFRJTJAESEBCO-HNNXBMFYSA-N 1 1 289.427 3.025 20 30 CGEDMO Cc1cnc([C@H](C)[NH+]2CCC(c3ccc(C#N)cn3)CC2)o1 ZINC000602906343 348042696 /nfs/dbraw/zinc/04/26/96/348042696.db2.gz FPQBWKQRCZARFO-ZDUSSCGKSA-N 1 1 296.374 3.190 20 30 CGEDMO COc1cc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)ccc1Cl ZINC000602982199 348051225 /nfs/dbraw/zinc/05/12/25/348051225.db2.gz OXCBLURCYLLCAK-OCCSQVGLSA-N 1 1 278.783 3.473 20 30 CGEDMO COc1cc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)ccc1Cl ZINC000602982199 348051227 /nfs/dbraw/zinc/05/12/27/348051227.db2.gz OXCBLURCYLLCAK-OCCSQVGLSA-N 1 1 278.783 3.473 20 30 CGEDMO C[N@@H+](Cc1cccc2ncccc12)[C@@H]1CCC[C@@H]1C#N ZINC000602981701 348051673 /nfs/dbraw/zinc/05/16/73/348051673.db2.gz IGONFCICRBKIQE-CXAGYDPISA-N 1 1 265.360 3.359 20 30 CGEDMO CC[C@@]1(O)CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000602983504 348052011 /nfs/dbraw/zinc/05/20/11/348052011.db2.gz MDQMTYTYAZJWJV-MRXNPFEDSA-N 1 1 264.413 3.087 20 30 CGEDMO CC[N@H+](CCOc1cc(C)cc(C)c1)C[C@@H](C)C#N ZINC000604285398 348113271 /nfs/dbraw/zinc/11/32/71/348113271.db2.gz BIOKAWSHLMDIIU-HNNXBMFYSA-N 1 1 260.381 3.164 20 30 CGEDMO CC[N@@H+](CCOc1cc(C)cc(C)c1)C[C@@H](C)C#N ZINC000604285398 348113275 /nfs/dbraw/zinc/11/32/75/348113275.db2.gz BIOKAWSHLMDIIU-HNNXBMFYSA-N 1 1 260.381 3.164 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](OCC(F)(F)F)C2)cc1 ZINC000603834970 348097326 /nfs/dbraw/zinc/09/73/26/348097326.db2.gz ZDNUQOVVXGCPAQ-AWEZNQCLSA-N 1 1 298.308 3.102 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)cc1 ZINC000603834970 348097328 /nfs/dbraw/zinc/09/73/28/348097328.db2.gz ZDNUQOVVXGCPAQ-AWEZNQCLSA-N 1 1 298.308 3.102 20 30 CGEDMO C=CCCC[N@H+](C)CCCOc1ccc(OC)cc1 ZINC000605738797 348167330 /nfs/dbraw/zinc/16/73/30/348167330.db2.gz YXKLNWAOXGAWMB-UHFFFAOYSA-N 1 1 263.381 3.362 20 30 CGEDMO CC#CC[N@@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000607728176 348258313 /nfs/dbraw/zinc/25/83/13/348258313.db2.gz NGTRLBNAYCYJQX-IAGOWNOFSA-N 1 1 257.377 3.109 20 30 CGEDMO N#CCC[N@@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000609144056 348337621 /nfs/dbraw/zinc/33/76/21/348337621.db2.gz CILXHXROBRPHIH-AWEZNQCLSA-N 1 1 253.349 3.261 20 30 CGEDMO N#CCC[N@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000609144056 348337623 /nfs/dbraw/zinc/33/76/23/348337623.db2.gz CILXHXROBRPHIH-AWEZNQCLSA-N 1 1 253.349 3.261 20 30 CGEDMO CC(C)(C)[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000483239476 535073514 /nfs/dbraw/zinc/07/35/14/535073514.db2.gz XUQKQZDCGPDVPT-OAHLLOKOSA-N 1 1 299.418 3.255 20 30 CGEDMO CC[N@H+](CCC(F)(F)F)Cc1cc(C#N)ccc1OC ZINC000610953289 348411231 /nfs/dbraw/zinc/41/12/31/348411231.db2.gz FKYYDISXFGBTIE-UHFFFAOYSA-N 1 1 286.297 3.341 20 30 CGEDMO CC[N@@H+](CCC(F)(F)F)Cc1cc(C#N)ccc1OC ZINC000610953289 348411232 /nfs/dbraw/zinc/41/12/32/348411232.db2.gz FKYYDISXFGBTIE-UHFFFAOYSA-N 1 1 286.297 3.341 20 30 CGEDMO C[N@@H+](Cc1ccnc(C#N)c1)[C@@H]1CCCc2ccccc21 ZINC000610991359 348413675 /nfs/dbraw/zinc/41/36/75/348413675.db2.gz LDYBURAFEAXSGR-GOSISDBHSA-N 1 1 277.371 3.463 20 30 CGEDMO C[N@@H+](CCCc1ccccc1)Cc1ccnc(C#N)c1 ZINC000610991632 348413813 /nfs/dbraw/zinc/41/38/13/348413813.db2.gz ANUOWHHEJFJCHV-UHFFFAOYSA-N 1 1 265.360 3.018 20 30 CGEDMO Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccnc(C#N)c2)s1 ZINC000610992877 348415442 /nfs/dbraw/zinc/41/54/42/348415442.db2.gz PMWVUUIQCQAKEE-LLVKDONJSA-N 1 1 286.404 3.220 20 30 CGEDMO Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2ccnc(C#N)c2)s1 ZINC000610992877 348415446 /nfs/dbraw/zinc/41/54/46/348415446.db2.gz PMWVUUIQCQAKEE-LLVKDONJSA-N 1 1 286.404 3.220 20 30 CGEDMO CC[C@@](C)([NH2+]Cc1ccnc(C#N)c1)c1nc(C)cs1 ZINC000610994379 348416628 /nfs/dbraw/zinc/41/66/28/348416628.db2.gz BKJKBEADZYQBGD-OAHLLOKOSA-N 1 1 286.404 3.133 20 30 CGEDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000610995356 348417541 /nfs/dbraw/zinc/41/75/41/348417541.db2.gz XUKPTPFXNLKOLM-GFCCVEGCSA-N 1 1 269.323 3.285 20 30 CGEDMO CC[C@@H](C[N@@H+](CCC#N)CCOC)c1ccccc1 ZINC000611268768 348433446 /nfs/dbraw/zinc/43/34/46/348433446.db2.gz SZHANHPZHXZEFC-HNNXBMFYSA-N 1 1 260.381 3.042 20 30 CGEDMO CC[C@@H](C[N@H+](CCC#N)CCOC)c1ccccc1 ZINC000611268768 348433451 /nfs/dbraw/zinc/43/34/51/348433451.db2.gz SZHANHPZHXZEFC-HNNXBMFYSA-N 1 1 260.381 3.042 20 30 CGEDMO CCC[N@@H+]1CC[C@@H](CN[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391533 348444790 /nfs/dbraw/zinc/44/47/90/348444790.db2.gz MZYBNJJLHSKAQM-QFBILLFUSA-N 1 1 297.446 3.257 20 30 CGEDMO CCC[N@H+]1CC[C@@H](CN[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611391533 348444792 /nfs/dbraw/zinc/44/47/92/348444792.db2.gz MZYBNJJLHSKAQM-QFBILLFUSA-N 1 1 297.446 3.257 20 30 CGEDMO CC[NH+](CC)C[C@@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611392272 348445258 /nfs/dbraw/zinc/44/52/58/348445258.db2.gz PMHNSSQZUVZRLA-RDTXWAMCSA-N 1 1 285.435 3.256 20 30 CGEDMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000611531624 348459355 /nfs/dbraw/zinc/45/93/55/348459355.db2.gz DFEJCKSYNSYCAC-CQSZACIVSA-N 1 1 294.439 3.228 20 30 CGEDMO COCC[N@@H+](CCC#N)C[C@@H](C)CC1CCCCC1 ZINC000612577430 348529317 /nfs/dbraw/zinc/52/93/17/348529317.db2.gz LTPFRFRQXSYEKK-HNNXBMFYSA-N 1 1 266.429 3.455 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000612584899 348530666 /nfs/dbraw/zinc/53/06/66/348530666.db2.gz GVXXITUZZULCAH-UHFFFAOYSA-N 1 1 295.386 3.300 20 30 CGEDMO CC(C)(C)c1ccc(C#N)c(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000613412161 348598155 /nfs/dbraw/zinc/59/81/55/348598155.db2.gz PZXCHXLEWQIHRF-LSDHHAIUSA-N 1 1 298.434 3.289 20 30 CGEDMO C[C@H]1C[C@@H](Nc2nc(C(C)(C)C)ccc2C#N)C[N@H+]1C1CC1 ZINC000613427162 348601484 /nfs/dbraw/zinc/60/14/84/348601484.db2.gz SCKSCDKGNYMDTF-GXTWGEPZSA-N 1 1 298.434 3.288 20 30 CGEDMO CC[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccnc(C#N)c1 ZINC000613497408 348611517 /nfs/dbraw/zinc/61/15/17/348611517.db2.gz CNOUYMCTSPKYPI-GOSISDBHSA-N 1 1 277.371 3.290 20 30 CGEDMO C[C@@H]1COCCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176085 348655554 /nfs/dbraw/zinc/65/55/54/348655554.db2.gz ALSUTDNGRGMOBV-CQSZACIVSA-N 1 1 272.392 3.099 20 30 CGEDMO CC[N@H+]1C[C@@H](C)N(Cc2ccc(C(C)(C)C#N)cc2)C[C@@H]1C ZINC000614178486 348655922 /nfs/dbraw/zinc/65/59/22/348655922.db2.gz FQICNVNCRUTTJE-JKSUJKDBSA-N 1 1 299.462 3.402 20 30 CGEDMO CCN1C[C@@H](C)[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@@H]1C ZINC000614178486 348655925 /nfs/dbraw/zinc/65/59/25/348655925.db2.gz FQICNVNCRUTTJE-JKSUJKDBSA-N 1 1 299.462 3.402 20 30 CGEDMO CCN1C[C@@H](C)[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@@H]1C ZINC000614178486 348655927 /nfs/dbraw/zinc/65/59/27/348655927.db2.gz FQICNVNCRUTTJE-JKSUJKDBSA-N 1 1 299.462 3.402 20 30 CGEDMO CCOc1ccccc1[C@H](C)[NH2+]Cc1ccc(C#N)cn1 ZINC000615093082 348713477 /nfs/dbraw/zinc/71/34/77/348713477.db2.gz ZPZUWTYAZBNPJL-ZDUSSCGKSA-N 1 1 281.359 3.203 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+](C)C1CCN(C(C)C)CC1 ZINC000614397402 348673239 /nfs/dbraw/zinc/67/32/39/348673239.db2.gz QNCDQBXHFCDAEK-UHFFFAOYSA-N 1 1 285.435 3.171 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+](C)C1CCN(C(C)C)CC1 ZINC000614397402 348673242 /nfs/dbraw/zinc/67/32/42/348673242.db2.gz QNCDQBXHFCDAEK-UHFFFAOYSA-N 1 1 285.435 3.171 20 30 CGEDMO COC1CCC([N@@H+](C)Cc2ccc(C#N)cc2C)CC1 ZINC000614400846 348674240 /nfs/dbraw/zinc/67/42/40/348674240.db2.gz JEWCQGOMOQTWEC-UHFFFAOYSA-N 1 1 272.392 3.256 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000614407665 348674974 /nfs/dbraw/zinc/67/49/74/348674974.db2.gz VUKGOWYQEPAGRV-GOSISDBHSA-N 1 1 291.398 3.326 20 30 CGEDMO Cc1[nH+]c2ccccc2c(N2CC[C@](F)(C#N)C2)c1C ZINC000615531689 348747425 /nfs/dbraw/zinc/74/74/25/348747425.db2.gz RFDSYSFITSWSOE-INIZCTEOSA-N 1 1 269.323 3.294 20 30 CGEDMO CCn1ccc(C[N@@H+](C)Cc2ccc(CC#N)cc2)c1 ZINC000616786430 348877401 /nfs/dbraw/zinc/87/74/01/348877401.db2.gz YVPWGDHUIMLJEZ-UHFFFAOYSA-N 1 1 267.376 3.206 20 30 CGEDMO Cc1cc(C[N@H+]2CCC(F)(F)[C@H](C)C2)ccc1C#N ZINC000352018386 219290494 /nfs/dbraw/zinc/29/04/94/219290494.db2.gz QAQUFIHCFJMXPR-GFCCVEGCSA-N 1 1 264.319 3.344 20 30 CGEDMO Cc1nc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)nc2ccccc12 ZINC000618568524 349107551 /nfs/dbraw/zinc/10/75/51/349107551.db2.gz DDZVRSCDECPVSP-UONOGXRCSA-N 1 1 280.375 3.110 20 30 CGEDMO C[C@@H](C1CCCCC1)[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000618554264 349105837 /nfs/dbraw/zinc/10/58/37/349105837.db2.gz JSXWPLCBUIHGOZ-ZDUSSCGKSA-N 1 1 257.381 3.354 20 30 CGEDMO C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1nccs1 ZINC000618801332 349155574 /nfs/dbraw/zinc/15/55/74/349155574.db2.gz ACQNNNZIMMPDJT-IINYFYTJSA-N 1 1 269.373 3.353 20 30 CGEDMO C=CCCC[N@@H+](C)Cc1ccncc1Br ZINC000625175710 350136351 /nfs/dbraw/zinc/13/63/51/350136351.db2.gz BSORGNSIGLVAEI-UHFFFAOYSA-N 1 1 269.186 3.242 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccncc1Br ZINC000625175710 350136357 /nfs/dbraw/zinc/13/63/57/350136357.db2.gz BSORGNSIGLVAEI-UHFFFAOYSA-N 1 1 269.186 3.242 20 30 CGEDMO C=C(C)C[N@@H+](CCOC1CCOCC1)Cc1ccccc1 ZINC000625380303 350165911 /nfs/dbraw/zinc/16/59/11/350165911.db2.gz FVCNPJUMFAVRHJ-UHFFFAOYSA-N 1 1 289.419 3.260 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CCOCC(F)(F)C(F)(F)F)C1 ZINC000625701655 350199523 /nfs/dbraw/zinc/19/95/23/350199523.db2.gz LHYUCNFNPMNUFK-JTQLQIEISA-N 1 1 287.272 3.099 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)N[C@H](C)c2ccccc2)C1 ZINC000625534386 350182282 /nfs/dbraw/zinc/18/22/82/350182282.db2.gz ABPAYHIVTJKRNV-HZPDHXFCSA-N 1 1 286.419 3.152 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CC(=O)Nc2c(C)cccc2CC)C1 ZINC000625703818 350200557 /nfs/dbraw/zinc/20/05/57/350200557.db2.gz PFIMXOBONPCHHL-OAHLLOKOSA-N 1 1 286.419 3.394 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625803182 350215770 /nfs/dbraw/zinc/21/57/70/350215770.db2.gz OAUSETXATGEVJD-SFHVURJKSA-N 1 1 285.387 3.453 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2nc(-c3cccc(C)c3)no2)C1 ZINC000625704012 350201102 /nfs/dbraw/zinc/20/11/02/350201102.db2.gz RAZWLSGBEWTYQP-AWEZNQCLSA-N 1 1 283.375 3.443 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc(C)c(Br)cn1 ZINC000628247246 350464509 /nfs/dbraw/zinc/46/45/09/350464509.db2.gz UFWBIYQNWHDRKZ-UHFFFAOYSA-N 1 1 269.186 3.160 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cnc3cccc(C)n23)C1 ZINC000628405991 350529492 /nfs/dbraw/zinc/52/94/92/350529492.db2.gz ZIYBPFIVVJLWPO-CQSZACIVSA-N 1 1 255.365 3.041 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccnn2-c2ccccc2OC)C1 ZINC000628406400 350529934 /nfs/dbraw/zinc/52/99/34/350529934.db2.gz JCOXIPPAPIOENE-HNNXBMFYSA-N 1 1 297.402 3.279 20 30 CGEDMO C=CC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000628489344 350557027 /nfs/dbraw/zinc/55/70/27/350557027.db2.gz UPOYOWDBDJHVNP-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(-n2ccnc2)cc1)C1CC1 ZINC000271391174 191112325 /nfs/dbraw/zinc/11/23/25/191112325.db2.gz JWKSIZMVVNQYNQ-UHFFFAOYSA-N 1 1 253.349 3.023 20 30 CGEDMO CC(C)[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000117347551 186748630 /nfs/dbraw/zinc/74/86/30/186748630.db2.gz MURFHRUJFMTPOM-QGZVFWFLSA-N 1 1 299.418 3.397 20 30 CGEDMO N#Cc1cccc(OCCC[N@H+]2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000123353446 187086611 /nfs/dbraw/zinc/08/66/11/187086611.db2.gz MIWAWKOYEFNICB-GOSISDBHSA-N 1 1 295.386 3.492 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000336451434 213317935 /nfs/dbraw/zinc/31/79/35/213317935.db2.gz FPTJRUDWQVQOIX-YOEHRIQHSA-N 1 1 294.402 3.232 20 30 CGEDMO CC[C@H]1CC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000292318456 198242372 /nfs/dbraw/zinc/24/23/72/198242372.db2.gz FEVCRBLOJVPSEN-LBPRGKRZSA-N 1 1 279.181 3.305 20 30 CGEDMO CC[C@H]1CC[N@H+]1Cc1cc(C#N)ccc1Br ZINC000292318456 198242373 /nfs/dbraw/zinc/24/23/73/198242373.db2.gz FEVCRBLOJVPSEN-LBPRGKRZSA-N 1 1 279.181 3.305 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000155377213 188202249 /nfs/dbraw/zinc/20/22/49/188202249.db2.gz NWKVWXWLBLMOEV-OAHLLOKOSA-N 1 1 271.360 3.008 20 30 CGEDMO C[C@@H](c1ccco1)[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000156394542 188260363 /nfs/dbraw/zinc/26/03/63/188260363.db2.gz ZJFKBRZAFHHIGD-ZDUSSCGKSA-N 1 1 257.308 3.463 20 30 CGEDMO C[C@@H](c1ccco1)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000156394542 188260364 /nfs/dbraw/zinc/26/03/64/188260364.db2.gz ZJFKBRZAFHHIGD-ZDUSSCGKSA-N 1 1 257.308 3.463 20 30 CGEDMO CC(C)(C#N)CCC[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000157446134 188317540 /nfs/dbraw/zinc/31/75/40/188317540.db2.gz YVJBHIQTBLJSDQ-CYBMUJFWSA-N 1 1 278.421 3.451 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000157446134 188317541 /nfs/dbraw/zinc/31/75/41/188317541.db2.gz YVJBHIQTBLJSDQ-CYBMUJFWSA-N 1 1 278.421 3.451 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(Cl)cc1)CCc1nccs1 ZINC000157761821 188337598 /nfs/dbraw/zinc/33/75/98/188337598.db2.gz LCMZMOVCEJIQGQ-UHFFFAOYSA-N 1 1 290.819 3.323 20 30 CGEDMO C[N@H+](CC#Cc1ccc(Cl)cc1)CCc1nccs1 ZINC000157761821 188337599 /nfs/dbraw/zinc/33/75/99/188337599.db2.gz LCMZMOVCEJIQGQ-UHFFFAOYSA-N 1 1 290.819 3.323 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000336413624 283094105 /nfs/dbraw/zinc/09/41/05/283094105.db2.gz GZVDEFOVGKATIM-CJNGLKHVSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000336413624 283094106 /nfs/dbraw/zinc/09/41/06/283094106.db2.gz GZVDEFOVGKATIM-CJNGLKHVSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1cc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)nc2ccccc12 ZINC000317613736 283111062 /nfs/dbraw/zinc/11/10/62/283111062.db2.gz UAVPEUBXPVIBPV-GJZGRUSLSA-N 1 1 292.386 3.145 20 30 CGEDMO N#Cc1ccc(C[N@H+](C[C@@H]2CCCC[C@H]2O)C2CC2)cc1 ZINC000518192706 283138749 /nfs/dbraw/zinc/13/87/49/283138749.db2.gz PONRZNLCRAAATJ-FUHWJXTLSA-N 1 1 284.403 3.074 20 30 CGEDMO N#Cc1csc(C[NH2+][C@@H]2CCCc3ccc(F)cc32)n1 ZINC000334295891 283247616 /nfs/dbraw/zinc/24/76/16/283247616.db2.gz XQNLNVHBHVUFJB-CQSZACIVSA-N 1 1 287.363 3.321 20 30 CGEDMO C[C@H]1C[C@H](CO)CC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000344145250 291124195 /nfs/dbraw/zinc/12/41/95/291124195.db2.gz OVZYTICHSNEJKJ-LSDHHAIUSA-N 1 1 286.419 3.081 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)C1CCCCC1 ZINC000425542498 236258610 /nfs/dbraw/zinc/25/86/10/236258610.db2.gz YEIRQBKLBQNNRU-RDTXWAMCSA-N 1 1 286.419 3.492 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1Cl)[C@@H](CO)CC(C)(C)C ZINC000451778657 240358204 /nfs/dbraw/zinc/35/82/04/240358204.db2.gz DPLDBRKICGXPBB-CQSZACIVSA-N 1 1 294.826 3.441 20 30 CGEDMO N#Cc1csc(C[NH2+]Cc2ccc(C(F)F)cc2)n1 ZINC000352863499 219694425 /nfs/dbraw/zinc/69/44/25/219694425.db2.gz VLQVDBGZFHDEOF-UHFFFAOYSA-N 1 1 279.315 3.242 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)cc1C#N ZINC000298217711 200363733 /nfs/dbraw/zinc/36/37/33/200363733.db2.gz FKGFPUPTANMSII-LSDHHAIUSA-N 1 1 292.329 3.044 20 30 CGEDMO C[C@]12CC[N@H+](Cc3ccc(F)c(C#N)c3)C[C@H]1C2(F)F ZINC000298284744 200382569 /nfs/dbraw/zinc/38/25/69/200382569.db2.gz OSXMDYLAMDBAAR-KGLIPLIRSA-N 1 1 280.293 3.174 20 30 CGEDMO C[C@]12CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]1C2(F)F ZINC000298284744 200382570 /nfs/dbraw/zinc/38/25/70/200382570.db2.gz OSXMDYLAMDBAAR-KGLIPLIRSA-N 1 1 280.293 3.174 20 30 CGEDMO CCCOc1ncccc1C[NH2+]Cc1ccc(C#N)s1 ZINC000176955947 189016999 /nfs/dbraw/zinc/01/69/99/189016999.db2.gz FIWPGDCUBWHBRU-UHFFFAOYSA-N 1 1 287.388 3.093 20 30 CGEDMO C[C@@H]1CCSCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000336327533 213173816 /nfs/dbraw/zinc/17/38/16/213173816.db2.gz RXOMTBWVTQVPJZ-LLVKDONJSA-N 1 1 264.369 3.025 20 30 CGEDMO CCC[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C1CC1 ZINC000179931187 189228544 /nfs/dbraw/zinc/22/85/44/189228544.db2.gz CVGYQUMXVCSZDN-UHFFFAOYSA-N 1 1 294.402 3.333 20 30 CGEDMO Cc1cnc(CC[N@H+](C)Cc2ccc(C#N)s2)s1 ZINC000180059140 189235527 /nfs/dbraw/zinc/23/55/27/189235527.db2.gz YCRGIEWEFJKEKX-UHFFFAOYSA-N 1 1 277.418 3.059 20 30 CGEDMO N#Cc1ccccc1OCC[N@H+]1CCc2ccc(F)cc2C1 ZINC000441021397 238363580 /nfs/dbraw/zinc/36/35/80/238363580.db2.gz AVSNMZZJFYNJCM-UHFFFAOYSA-N 1 1 296.345 3.134 20 30 CGEDMO N#Cc1ccccc1OCC[N@@H+]1CCc2ccc(F)cc2C1 ZINC000441021397 238363588 /nfs/dbraw/zinc/36/35/88/238363588.db2.gz AVSNMZZJFYNJCM-UHFFFAOYSA-N 1 1 296.345 3.134 20 30 CGEDMO COc1ccc(C[N@@H+](C)CCC(C)(C)C#N)cc1C ZINC000119631532 370693069 /nfs/dbraw/zinc/69/30/69/370693069.db2.gz ZUJZOLDCQFYMMS-UHFFFAOYSA-N 1 1 260.381 3.375 20 30 CGEDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)Nc1ccc(Cl)c(C#N)n1 ZINC000301518181 201042335 /nfs/dbraw/zinc/04/23/35/201042335.db2.gz KKAYHRZTGZWOLD-NEPJUHHUSA-N 1 1 292.814 3.139 20 30 CGEDMO CC(=O)c1ccc(C#N)c(NC[C@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC000302104883 201344101 /nfs/dbraw/zinc/34/41/01/201344101.db2.gz MYUFROUOAILAIR-KBPBESRZSA-N 1 1 299.418 3.293 20 30 CGEDMO CC(C)[N@@H+](CCOc1cccc(C#N)c1)C1CCC1 ZINC000119754106 370705146 /nfs/dbraw/zinc/70/51/46/370705146.db2.gz VYRHSELUYSXSGN-UHFFFAOYSA-N 1 1 258.365 3.200 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@H]2C2CCC2)ccc1F ZINC000119877782 370717778 /nfs/dbraw/zinc/71/77/78/370717778.db2.gz KMEVEGGFFAFMEL-INIZCTEOSA-N 1 1 258.340 3.462 20 30 CGEDMO CC[N@@H+](Cc1cccn1C)[C@H](C)c1ccc(C#N)cc1 ZINC000119880627 370718475 /nfs/dbraw/zinc/71/84/75/370718475.db2.gz BOEYQZQPMABBHQ-CQSZACIVSA-N 1 1 267.376 3.480 20 30 CGEDMO N#CCCCC[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000120498379 370774714 /nfs/dbraw/zinc/77/47/14/370774714.db2.gz QVCSQCYXJSXFJX-UHFFFAOYSA-N 1 1 250.292 3.017 20 30 CGEDMO N#CCCCC[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000120498379 370774719 /nfs/dbraw/zinc/77/47/19/370774719.db2.gz QVCSQCYXJSXFJX-UHFFFAOYSA-N 1 1 250.292 3.017 20 30 CGEDMO C[N@@H+](CCC1CCOCC1)Cc1cn2ccccc2c1C#N ZINC000120571225 370782274 /nfs/dbraw/zinc/78/22/74/370782274.db2.gz ZLNTUYBKXDSAEI-UHFFFAOYSA-N 1 1 297.402 3.059 20 30 CGEDMO C[C@@H](C#N)C[N@H+](Cc1ccnc2ccccc12)C1CC1 ZINC000537661752 376191241 /nfs/dbraw/zinc/19/12/41/376191241.db2.gz SOOSTRFSOFXSSC-ZDUSSCGKSA-N 1 1 265.360 3.359 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](Cc1ccnc2ccccc12)C1CC1 ZINC000537661752 376191247 /nfs/dbraw/zinc/19/12/47/376191247.db2.gz SOOSTRFSOFXSSC-ZDUSSCGKSA-N 1 1 265.360 3.359 20 30 CGEDMO C=CC[N@H+](C)Cc1cc(Cl)c(OCC)c(OC)c1 ZINC000154787947 260751846 /nfs/dbraw/zinc/75/18/46/260751846.db2.gz BRFLTQHDJDLSFG-UHFFFAOYSA-N 1 1 269.772 3.365 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000121052265 370825015 /nfs/dbraw/zinc/82/50/15/370825015.db2.gz UFBFWZSJPFQMLW-HOCLYGCPSA-N 1 1 270.376 3.331 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1C[C@H](C)CC[C@H]1C ZINC000121102124 370829736 /nfs/dbraw/zinc/82/97/36/370829736.db2.gz MLRYVILHZVDTAB-CHWSQXEVSA-N 1 1 258.365 3.187 20 30 CGEDMO C=CC[N@@H+](C)[C@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000121333250 370851891 /nfs/dbraw/zinc/85/18/91/370851891.db2.gz HGBXIHFXVKMNTF-SECBINFHSA-N 1 1 276.409 3.069 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000121333250 370851894 /nfs/dbraw/zinc/85/18/94/370851894.db2.gz HGBXIHFXVKMNTF-SECBINFHSA-N 1 1 276.409 3.069 20 30 CGEDMO C=CCCCC[N@H+](C)C1CCN(CC(F)(F)F)CC1 ZINC000574248660 335003841 /nfs/dbraw/zinc/00/38/41/335003841.db2.gz RAEUOOSWMWFVPB-UHFFFAOYSA-N 1 1 278.362 3.301 20 30 CGEDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000015028506 368688404 /nfs/dbraw/zinc/68/84/04/368688404.db2.gz HTJHTMIWRFBLIR-UHFFFAOYSA-N 1 1 279.387 3.256 20 30 CGEDMO C=C(Br)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000125072850 370930741 /nfs/dbraw/zinc/93/07/41/370930741.db2.gz INDMXDXKFAVKNF-JTQLQIEISA-N 1 1 299.168 3.462 20 30 CGEDMO CC(C)(C)[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000330626175 203055775 /nfs/dbraw/zinc/05/57/75/203055775.db2.gz UYMRPBZRDLUMDN-HNNXBMFYSA-N 1 1 285.391 3.007 20 30 CGEDMO CC(C)(C)[C@H]1CCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000330620655 203048290 /nfs/dbraw/zinc/04/82/90/203048290.db2.gz KQQCZSOKNOJSFG-OAHLLOKOSA-N 1 1 285.391 3.007 20 30 CGEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000019846951 368773148 /nfs/dbraw/zinc/77/31/48/368773148.db2.gz QHLCZPQJYBCAQQ-OKILXGFUSA-N 1 1 285.391 3.150 20 30 CGEDMO CC[N@H+](CC(=O)Nc1cccc(C#N)c1)Cc1cccs1 ZINC000019537851 368757093 /nfs/dbraw/zinc/75/70/93/368757093.db2.gz HNZWTWQCSHVBQO-UHFFFAOYSA-N 1 1 299.399 3.080 20 30 CGEDMO CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)Cc1cccs1 ZINC000019537851 368757094 /nfs/dbraw/zinc/75/70/94/368757094.db2.gz HNZWTWQCSHVBQO-UHFFFAOYSA-N 1 1 299.399 3.080 20 30 CGEDMO C[N@H+](CC(=O)Nc1sccc1C#N)CC1CCCCC1 ZINC000029455099 368895159 /nfs/dbraw/zinc/89/51/59/368895159.db2.gz AILCJCBNIWJUNB-UHFFFAOYSA-N 1 1 291.420 3.070 20 30 CGEDMO C[N@@H+](CCOc1ccc(C#N)cc1)C1CCCCC1 ZINC000034651729 368976886 /nfs/dbraw/zinc/97/68/86/368976886.db2.gz SVKGPVGEXSQDTO-UHFFFAOYSA-N 1 1 258.365 3.202 20 30 CGEDMO CCC[N@@H+](CCCOc1cccc(C#N)c1)C1CC1 ZINC000034674571 368977997 /nfs/dbraw/zinc/97/79/97/368977997.db2.gz GCDGHRAOXKUZNS-UHFFFAOYSA-N 1 1 258.365 3.202 20 30 CGEDMO CC1CCC([N@@H+](C)CCOc2ccc(C#N)cc2)CC1 ZINC000042299102 369211572 /nfs/dbraw/zinc/21/15/72/369211572.db2.gz SJNFLCRRSOLZRJ-UHFFFAOYSA-N 1 1 272.392 3.448 20 30 CGEDMO C[C@@H]([N@@H+](C)CCOc1cccc(C#N)c1)C(C)(C)C ZINC000042253318 369207509 /nfs/dbraw/zinc/20/75/09/369207509.db2.gz PLXSPTIRTLBJBN-CYBMUJFWSA-N 1 1 260.381 3.303 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H]1CCCCO1 ZINC000054271954 369500145 /nfs/dbraw/zinc/50/01/45/369500145.db2.gz UFZZHBAGFJTPQX-QGZVFWFLSA-N 1 1 275.392 3.252 20 30 CGEDMO C[N@H+]1CCC[C@H]2CN(c3cc(Cl)ccc3C#N)CC[C@@H]21 ZINC000129094845 370974191 /nfs/dbraw/zinc/97/41/91/370974191.db2.gz DEJRJRKLKQFHSJ-ZFWWWQNUSA-N 1 1 289.810 3.132 20 30 CGEDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000055386547 369516842 /nfs/dbraw/zinc/51/68/42/369516842.db2.gz QGHSUZUQWUMEQS-CJNGLKHVSA-N 1 1 285.391 3.007 20 30 CGEDMO CCCCOc1ncccc1C[NH2+]Cc1cccc(C#N)c1 ZINC000063579268 369647878 /nfs/dbraw/zinc/64/78/78/369647878.db2.gz HPOYHXUCTFWBII-UHFFFAOYSA-N 1 1 295.386 3.422 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000276508701 193362370 /nfs/dbraw/zinc/36/23/70/193362370.db2.gz XCAJCLOFTJWJRM-UHFFFAOYSA-N 1 1 254.717 3.256 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)CCOc1ccc(C#N)cc1 ZINC000072692223 369835110 /nfs/dbraw/zinc/83/51/10/369835110.db2.gz ZPQKWPBNDNUZNN-UHFFFAOYSA-N 1 1 285.391 3.199 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)CCOc1ccc(C#N)cc1 ZINC000072692223 369835115 /nfs/dbraw/zinc/83/51/15/369835115.db2.gz ZPQKWPBNDNUZNN-UHFFFAOYSA-N 1 1 285.391 3.199 20 30 CGEDMO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCCCC#N)C1 ZINC000072965331 369846107 /nfs/dbraw/zinc/84/61/07/369846107.db2.gz LLFAZAREBGTOGV-IAGOWNOFSA-N 1 1 277.456 3.267 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCCCC#N)C1 ZINC000072965331 369846110 /nfs/dbraw/zinc/84/61/10/369846110.db2.gz LLFAZAREBGTOGV-IAGOWNOFSA-N 1 1 277.456 3.267 20 30 CGEDMO C=C(C)CN1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000072974865 369846130 /nfs/dbraw/zinc/84/61/30/369846130.db2.gz MSSZNOIEVXFTKW-JKSUJKDBSA-N 1 1 250.430 3.149 20 30 CGEDMO CC(C)CO[C@H]1CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000091964886 370084517 /nfs/dbraw/zinc/08/45/17/370084517.db2.gz QYTNAPNVGHZMSW-AWEZNQCLSA-N 1 1 252.402 3.063 20 30 CGEDMO CC(C)(CCC#N)C[N@@H+]1CCO[C@H](c2cccs2)C1 ZINC000092595080 370098489 /nfs/dbraw/zinc/09/84/89/370098489.db2.gz DQOCAHWUKCOFFE-ZDUSSCGKSA-N 1 1 278.421 3.451 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000092595080 370098498 /nfs/dbraw/zinc/09/84/98/370098498.db2.gz DQOCAHWUKCOFFE-ZDUSSCGKSA-N 1 1 278.421 3.451 20 30 CGEDMO COc1cc(C[N@H+](CCC#N)CC(C)(C)C)cc(OC)c1 ZINC000093101178 370109402 /nfs/dbraw/zinc/10/94/02/370109402.db2.gz CLJATUOTKKPHMA-UHFFFAOYSA-N 1 1 290.407 3.466 20 30 CGEDMO COc1cc(C[N@@H+](CCC#N)CC(C)(C)C)cc(OC)c1 ZINC000093101178 370109405 /nfs/dbraw/zinc/10/94/05/370109405.db2.gz CLJATUOTKKPHMA-UHFFFAOYSA-N 1 1 290.407 3.466 20 30 CGEDMO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)o2)n1 ZINC000093453329 370134053 /nfs/dbraw/zinc/13/40/53/370134053.db2.gz ACQFUZKRFIAEPQ-INIZCTEOSA-N 1 1 267.332 3.192 20 30 CGEDMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)o2)n1 ZINC000093453329 370134057 /nfs/dbraw/zinc/13/40/57/370134057.db2.gz ACQFUZKRFIAEPQ-INIZCTEOSA-N 1 1 267.332 3.192 20 30 CGEDMO CSCC[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000093509478 370139144 /nfs/dbraw/zinc/13/91/44/370139144.db2.gz CTNDHVSFHKSQPD-UHFFFAOYSA-N 1 1 278.421 3.164 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000102669917 370308418 /nfs/dbraw/zinc/30/84/18/370308418.db2.gz FORCVZJOLAKBBZ-CVEARBPZSA-N 1 1 288.435 3.193 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104963276 370348420 /nfs/dbraw/zinc/34/84/20/370348420.db2.gz KNXISCZULAOSCW-UHFFFAOYSA-N 1 1 276.767 3.154 20 30 CGEDMO CCc1nc([C@H](C)[NH2+]Cc2cccc(C#N)c2)cs1 ZINC000111406354 370399050 /nfs/dbraw/zinc/39/90/50/370399050.db2.gz XDWOJVLVXPXENE-NSHDSACASA-N 1 1 271.389 3.428 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)NC1(c2ccccc2)CCC1 ZINC000114712642 370508879 /nfs/dbraw/zinc/50/88/79/370508879.db2.gz FPPSRRZIJWZMKF-UHFFFAOYSA-N 1 1 286.419 3.080 20 30 CGEDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(Cc1ccc(C#N)s1)C2 ZINC000130418509 371032013 /nfs/dbraw/zinc/03/20/13/371032013.db2.gz OAIBCMCBLOLQMZ-UONOGXRCSA-N 1 1 289.448 3.067 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000133122329 371229447 /nfs/dbraw/zinc/22/94/47/371229447.db2.gz PFSOYOPEAGCNHD-AWEZNQCLSA-N 1 1 261.365 3.417 20 30 CGEDMO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000134227192 371313029 /nfs/dbraw/zinc/31/30/29/371313029.db2.gz DIUDSWGKOGLAOG-AUUYWEPGSA-N 1 1 292.382 3.382 20 30 CGEDMO CS[C@H]1CCCC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000134559333 371350302 /nfs/dbraw/zinc/35/03/02/371350302.db2.gz HMQUANUFIXVRLQ-HNNXBMFYSA-N 1 1 290.432 3.155 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCCC[C@H](SC)C1 ZINC000134610110 371355030 /nfs/dbraw/zinc/35/50/30/371355030.db2.gz HVRIUILYFRFVAA-HNNXBMFYSA-N 1 1 290.432 3.284 20 30 CGEDMO CC[C@H](CC#N)N[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000136959140 371488397 /nfs/dbraw/zinc/48/83/97/371488397.db2.gz XHAYOAAPEHSZPB-CGTJXYLNSA-N 1 1 285.435 3.179 20 30 CGEDMO CC[C@H](CC#N)[NH2+][C@@H]1C[C@H](C)CN(Cc2ccccc2)C1 ZINC000136959140 371488405 /nfs/dbraw/zinc/48/84/05/371488405.db2.gz XHAYOAAPEHSZPB-CGTJXYLNSA-N 1 1 285.435 3.179 20 30 CGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC000344040310 217024111 /nfs/dbraw/zinc/02/41/11/217024111.db2.gz HFXNPLZGDKZAQW-KGLIPLIRSA-N 1 1 299.418 3.253 20 30 CGEDMO CC1(C)C[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1[C@@H]1CCCO1 ZINC000289877180 371844094 /nfs/dbraw/zinc/84/40/94/371844094.db2.gz RPYZRTMYZPIMSV-JKSUJKDBSA-N 1 1 288.366 3.087 20 30 CGEDMO CC1(C)C[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1[C@@H]1CCCO1 ZINC000289877180 371844097 /nfs/dbraw/zinc/84/40/97/371844097.db2.gz RPYZRTMYZPIMSV-JKSUJKDBSA-N 1 1 288.366 3.087 20 30 CGEDMO C#Cc1ccc(C[N@@H+](CC)CCc2nccs2)cc1 ZINC000290174421 371922212 /nfs/dbraw/zinc/92/22/12/371922212.db2.gz YPMXISAVMUCDBX-UHFFFAOYSA-N 1 1 270.401 3.189 20 30 CGEDMO COc1cncc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000290254884 371947630 /nfs/dbraw/zinc/94/76/30/371947630.db2.gz KEPPYKFPTAGENE-UHFFFAOYSA-N 1 1 295.386 3.372 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000157973422 372045707 /nfs/dbraw/zinc/04/57/07/372045707.db2.gz XYFQIHSCJJRWNX-INIZCTEOSA-N 1 1 294.402 3.065 20 30 CGEDMO C=CC[NH+](CC=C)Cc1ncccc1C(F)(F)F ZINC000158120647 372054625 /nfs/dbraw/zinc/05/46/25/372054625.db2.gz JVTCOHVJVHFTHW-UHFFFAOYSA-N 1 1 256.271 3.274 20 30 CGEDMO C[N@@H+](CCc1ccccc1O)Cc1ccc(F)c(C#N)c1 ZINC000344220900 217104821 /nfs/dbraw/zinc/10/48/21/217104821.db2.gz RKJGQGOJJUUYGD-UHFFFAOYSA-N 1 1 284.334 3.077 20 30 CGEDMO C=CCCCCC[N@@H+](C)Cc1nnc(C)n1CCC ZINC000159210679 372118517 /nfs/dbraw/zinc/11/85/17/372118517.db2.gz BNWJBZLNUZWNLN-UHFFFAOYSA-N 1 1 264.417 3.175 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1nnc(C)n1CCC ZINC000159210679 372118522 /nfs/dbraw/zinc/11/85/22/372118522.db2.gz BNWJBZLNUZWNLN-UHFFFAOYSA-N 1 1 264.417 3.175 20 30 CGEDMO C[C@@H](NC[C@H]1[NH2+]CCc2ccccc21)c1ccc(C#N)cc1 ZINC000423446300 372063833 /nfs/dbraw/zinc/06/38/33/372063833.db2.gz ZANBYGHACYENRG-AUUYWEPGSA-N 1 1 291.398 3.096 20 30 CGEDMO C=CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)C(C)C)c1ccccc1 ZINC000290973631 372084445 /nfs/dbraw/zinc/08/44/45/372084445.db2.gz UGXCEQUQUBRXGF-NVXWUHKLSA-N 1 1 288.435 3.191 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000424755853 372097940 /nfs/dbraw/zinc/09/79/40/372097940.db2.gz FSHSZSUEFKOMAS-HUUCEWRRSA-N 1 1 292.467 3.358 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCO[C@]2(CCc3ccccc32)C1 ZINC000159489376 372149233 /nfs/dbraw/zinc/14/92/33/372149233.db2.gz OPEYHUQTXMWQRX-LJQANCHMSA-N 1 1 298.430 3.490 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000159579370 372157355 /nfs/dbraw/zinc/15/73/55/372157355.db2.gz AQPJNFRAOMIDFP-GOSISDBHSA-N 1 1 295.361 3.384 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000159579370 372157360 /nfs/dbraw/zinc/15/73/60/372157360.db2.gz AQPJNFRAOMIDFP-GOSISDBHSA-N 1 1 295.361 3.384 20 30 CGEDMO CC(C)[N@@H+](CC#Cc1cccc(Cl)c1)[C@@H]1CCOC1 ZINC000291878094 372176165 /nfs/dbraw/zinc/17/61/65/372176165.db2.gz QARKPCCSYWJFKM-MRXNPFEDSA-N 1 1 277.795 3.191 20 30 CGEDMO C=C[C@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000428050787 372179253 /nfs/dbraw/zinc/17/92/53/372179253.db2.gz TXTIDBXUMNZZDM-QAPCUYQASA-N 1 1 298.430 3.000 20 30 CGEDMO CCC[N@@H+](CCCOCC)Cc1ccc(C#N)cc1 ZINC000159260902 372122919 /nfs/dbraw/zinc/12/29/19/372122919.db2.gz YCOPPGHJZHHINC-UHFFFAOYSA-N 1 1 260.381 3.197 20 30 CGEDMO COc1cc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)ccc1C#N ZINC000292863803 372228836 /nfs/dbraw/zinc/22/88/36/372228836.db2.gz VOFIEUJWJARZOP-CABCVRRESA-N 1 1 292.329 3.044 20 30 CGEDMO C[N@H+]1CCC[C@]2(CCN(c3ccc(Cl)cc3C#N)C2)C1 ZINC000292654791 372198306 /nfs/dbraw/zinc/19/83/06/372198306.db2.gz CAAPWPVSSDFMNF-INIZCTEOSA-N 1 1 289.810 3.134 20 30 CGEDMO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000292905060 372243794 /nfs/dbraw/zinc/24/37/94/372243794.db2.gz DZHPEOATAJMTGZ-VHSXEESVSA-N 1 1 279.181 3.161 20 30 CGEDMO C[C@@H]1[C@@H](C)C[N@H+]1Cc1ccc(C#N)cc1Br ZINC000292905060 372243802 /nfs/dbraw/zinc/24/38/02/372243802.db2.gz DZHPEOATAJMTGZ-VHSXEESVSA-N 1 1 279.181 3.161 20 30 CGEDMO CCOC1(C)CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000428715184 372254891 /nfs/dbraw/zinc/25/48/91/372254891.db2.gz VIZGLWNPZOFUKL-UHFFFAOYSA-N 1 1 276.355 3.088 20 30 CGEDMO CCC(C)(C)CC[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428809154 372265434 /nfs/dbraw/zinc/26/54/34/372265434.db2.gz VTOHHWLJNVDVFA-OAHLLOKOSA-N 1 1 287.407 3.233 20 30 CGEDMO C[C@H](NCC1([NH+](C)C)CCCC1)c1cccc(C#N)c1 ZINC000160697753 372269624 /nfs/dbraw/zinc/26/96/24/372269624.db2.gz SBVPRYYTFHVMSA-AWEZNQCLSA-N 1 1 271.408 3.083 20 30 CGEDMO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000293338684 372359151 /nfs/dbraw/zinc/35/91/51/372359151.db2.gz GXIOTFXRLMXZJK-VHSXEESVSA-N 1 1 279.181 3.161 20 30 CGEDMO C[C@@H]1[C@@H](C)C[N@H+]1Cc1cc(C#N)ccc1Br ZINC000293338684 372359155 /nfs/dbraw/zinc/35/91/55/372359155.db2.gz GXIOTFXRLMXZJK-VHSXEESVSA-N 1 1 279.181 3.161 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN([C@H]2CC[C@H](C#N)C2)C1 ZINC000429696009 372375661 /nfs/dbraw/zinc/37/56/61/372375661.db2.gz QRYZMCPULDHHFQ-OWSLCNJRSA-N 1 1 289.467 3.265 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)Cc1ccc(OC(F)F)cc1 ZINC000429715472 372377757 /nfs/dbraw/zinc/37/77/57/372377757.db2.gz INSARIMLXGCMCF-UHFFFAOYSA-N 1 1 298.377 3.228 20 30 CGEDMO C=CC[N@@H+](C)CCN(CC)Cc1ccc(OC(F)F)cc1 ZINC000429715472 372377761 /nfs/dbraw/zinc/37/77/61/372377761.db2.gz INSARIMLXGCMCF-UHFFFAOYSA-N 1 1 298.377 3.228 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)Cc1ccc(OC(F)F)cc1 ZINC000429715472 372377763 /nfs/dbraw/zinc/37/77/63/372377763.db2.gz INSARIMLXGCMCF-UHFFFAOYSA-N 1 1 298.377 3.228 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)Cc1cc(C)sc1C ZINC000429717419 372378199 /nfs/dbraw/zinc/37/81/99/372378199.db2.gz LWNAEOHUBNPFJT-UHFFFAOYSA-N 1 1 266.454 3.305 20 30 CGEDMO C=CC[N@@H+](C)CCN(CC)Cc1cc(C)sc1C ZINC000429717419 372378207 /nfs/dbraw/zinc/37/82/07/372378207.db2.gz LWNAEOHUBNPFJT-UHFFFAOYSA-N 1 1 266.454 3.305 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)Cc1cc(C)sc1C ZINC000429717419 372378214 /nfs/dbraw/zinc/37/82/14/372378214.db2.gz LWNAEOHUBNPFJT-UHFFFAOYSA-N 1 1 266.454 3.305 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430210759 372386698 /nfs/dbraw/zinc/38/66/98/372386698.db2.gz FKGKQBOYTJPYOS-UHFFFAOYSA-N 1 1 264.325 3.001 20 30 CGEDMO CC[C@H]1CC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000430195587 372386848 /nfs/dbraw/zinc/38/68/48/372386848.db2.gz OIYBQJRJBIBCFD-HNNXBMFYSA-N 1 1 258.365 3.353 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430247576 372388644 /nfs/dbraw/zinc/38/86/44/372388644.db2.gz ZYXAOWGMYJDEEG-ZDUSSCGKSA-N 1 1 276.336 3.144 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430247576 372388651 /nfs/dbraw/zinc/38/86/51/372388651.db2.gz ZYXAOWGMYJDEEG-ZDUSSCGKSA-N 1 1 276.336 3.144 20 30 CGEDMO C=CC[N@@H+](Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000430257322 372388731 /nfs/dbraw/zinc/38/87/31/372388731.db2.gz KWAOJXZZXWWOAU-UHFFFAOYSA-N 1 1 275.783 3.262 20 30 CGEDMO C=CC[N@H+](Cc1cnn(C)c1)Cc1ccc(Cl)cc1 ZINC000430257322 372388741 /nfs/dbraw/zinc/38/87/41/372388741.db2.gz KWAOJXZZXWWOAU-UHFFFAOYSA-N 1 1 275.783 3.262 20 30 CGEDMO N#CCC1(C[NH2+][C@H](c2ccccc2)c2ccccn2)CC1 ZINC000430744317 372394860 /nfs/dbraw/zinc/39/48/60/372394860.db2.gz RUCAZOPTDOFJKJ-QGZVFWFLSA-N 1 1 277.371 3.454 20 30 CGEDMO Cc1nocc1C[NH2+]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000293524780 372403167 /nfs/dbraw/zinc/40/31/67/372403167.db2.gz IXZSSPKIVQEOHW-UHFFFAOYSA-N 1 1 294.276 3.143 20 30 CGEDMO Cc1ccncc1C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000344404358 217182446 /nfs/dbraw/zinc/18/24/46/217182446.db2.gz WYOJZKKZKRXSSX-GFCCVEGCSA-N 1 1 269.323 3.252 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433045365 372580170 /nfs/dbraw/zinc/58/01/70/372580170.db2.gz DXSFARMGJLXYBZ-SFHVURJKSA-N 1 1 298.430 3.067 20 30 CGEDMO Cc1ccc2c(C[N@H+](C)CC(C)(C)C#N)ccc(O)c2n1 ZINC000433296557 372585866 /nfs/dbraw/zinc/58/58/66/372585866.db2.gz IIMDQCHWRZBWCO-UHFFFAOYSA-N 1 1 283.375 3.230 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)CC1CC(F)(F)C1 ZINC000294880665 372676700 /nfs/dbraw/zinc/67/67/00/372676700.db2.gz BXLOGWSCOAXZHQ-UHFFFAOYSA-N 1 1 255.308 3.355 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1cscn1 ZINC000171064997 372708420 /nfs/dbraw/zinc/70/84/20/372708420.db2.gz ZAQSPWVPMGDDOU-UHFFFAOYSA-N 1 1 258.390 3.374 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)Cc1cscn1 ZINC000171064997 372708426 /nfs/dbraw/zinc/70/84/26/372708426.db2.gz ZAQSPWVPMGDDOU-UHFFFAOYSA-N 1 1 258.390 3.374 20 30 CGEDMO C=CCCN(C)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000438150626 372899779 /nfs/dbraw/zinc/89/97/79/372899779.db2.gz FNMFINCKCQRRQA-INIZCTEOSA-N 1 1 293.455 3.001 20 30 CGEDMO CC1(C)CCCC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000438370873 372943230 /nfs/dbraw/zinc/94/32/30/372943230.db2.gz KJTLFQNCEUZGKV-UHFFFAOYSA-N 1 1 282.391 3.218 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CC[C@H]2Cc2ccccc2)cc1 ZINC000438465245 372957236 /nfs/dbraw/zinc/95/72/36/372957236.db2.gz APNFNQWHWFQYBB-IBGZPJMESA-N 1 1 279.358 3.494 20 30 CGEDMO C=CC[N@@H+]1CCN(Cc2ccc(C)nc2)C[C@@H]1[C@H](C)CC ZINC000441176503 372998495 /nfs/dbraw/zinc/99/84/95/372998495.db2.gz MCHSPNDDQXFLRI-CRAIPNDOSA-N 1 1 287.451 3.108 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)Nc1c(F)cccc1F ZINC000172543946 372986275 /nfs/dbraw/zinc/98/62/75/372986275.db2.gz NULLXPZUFQCSBD-NSHDSACASA-N 1 1 282.334 3.190 20 30 CGEDMO CS[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000296146482 373036867 /nfs/dbraw/zinc/03/68/67/373036867.db2.gz GNWZAMCLZWSFRR-AWEZNQCLSA-N 1 1 265.809 3.129 20 30 CGEDMO CN(C)c1cccc(C[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000172720304 373022081 /nfs/dbraw/zinc/02/20/81/373022081.db2.gz LYDVVRMNYQIISV-UHFFFAOYSA-N 1 1 279.387 3.256 20 30 CGEDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000443334766 373152017 /nfs/dbraw/zinc/15/20/17/373152017.db2.gz NBELWFRBWQONHR-CKEIUWERSA-N 1 1 291.822 3.173 20 30 CGEDMO C=CCCCCC[N@@H+](C)Cc1nncn1-c1ccccc1 ZINC000444654261 373221875 /nfs/dbraw/zinc/22/18/75/373221875.db2.gz ORBSGVGMAVPQIT-UHFFFAOYSA-N 1 1 284.407 3.446 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1nncn1-c1ccccc1 ZINC000444654261 373221885 /nfs/dbraw/zinc/22/18/85/373221885.db2.gz ORBSGVGMAVPQIT-UHFFFAOYSA-N 1 1 284.407 3.446 20 30 CGEDMO C=CC[C@@H]1[N@H+](CCOCC(F)F)CCCC1(C)C ZINC000444782029 373274460 /nfs/dbraw/zinc/27/44/60/373274460.db2.gz IDGMJMUNXYPFCN-LBPRGKRZSA-N 1 1 261.356 3.335 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000296751649 373235541 /nfs/dbraw/zinc/23/55/41/373235541.db2.gz PTCONFKPTUBTLH-CABCVRRESA-N 1 1 283.419 3.035 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCN(C2CC2)C[C@H](C)C1 ZINC000296751649 373235549 /nfs/dbraw/zinc/23/55/49/373235549.db2.gz PTCONFKPTUBTLH-CABCVRRESA-N 1 1 283.419 3.035 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCN(C2CC2)C[C@H](C)C1 ZINC000296751649 373235553 /nfs/dbraw/zinc/23/55/53/373235553.db2.gz PTCONFKPTUBTLH-CABCVRRESA-N 1 1 283.419 3.035 20 30 CGEDMO C=C(C)CN(CC)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000296990250 373255503 /nfs/dbraw/zinc/25/55/03/373255503.db2.gz OLJYYXZBGDOASY-UHFFFAOYSA-N 1 1 272.352 3.073 20 30 CGEDMO C=C[C@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000297158895 373259298 /nfs/dbraw/zinc/25/92/98/373259298.db2.gz VYLIZOWWCVWBCP-CCNLRDMRSA-N 1 1 298.430 3.088 20 30 CGEDMO CC(C)[N@@H+](C)C[C@@H](C)N[C@H](C)c1ccc(C#N)cc1F ZINC000353581288 220171572 /nfs/dbraw/zinc/17/15/72/220171572.db2.gz YSRPEBZGTHJOFA-CHWSQXEVSA-N 1 1 277.387 3.077 20 30 CGEDMO CC#CC[N@@H+](C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445885585 373316153 /nfs/dbraw/zinc/31/61/53/373316153.db2.gz LTAVJEAVZVUGAP-CYBMUJFWSA-N 1 1 294.192 3.228 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@@H](C)[C@@H](C)O1 ZINC000446078958 373318645 /nfs/dbraw/zinc/31/86/45/373318645.db2.gz NPOPZXXXVZUPQC-QLFBSQMISA-N 1 1 286.419 3.485 20 30 CGEDMO C[N@@H+](CC#Cc1cccc(Cl)c1)[C@@H](CO)c1ccccc1 ZINC000446844229 373371711 /nfs/dbraw/zinc/37/17/11/373371711.db2.gz FZSOOWJEHYWEGL-SFHVURJKSA-N 1 1 299.801 3.357 20 30 CGEDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1CC#Cc1ccccc1Cl ZINC000447836334 373502816 /nfs/dbraw/zinc/50/28/16/373502816.db2.gz WZQYRNQQXCIXOA-GDBMZVCRSA-N 1 1 291.822 3.317 20 30 CGEDMO N#CCCCC[N@@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000175821317 373524974 /nfs/dbraw/zinc/52/49/74/373524974.db2.gz FURHFMXUGCXZNA-UONOGXRCSA-N 1 1 278.421 3.330 20 30 CGEDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccccc1C#N ZINC000176852224 373636183 /nfs/dbraw/zinc/63/61/83/373636183.db2.gz LMXJIGJOYBKTFY-AWEZNQCLSA-N 1 1 280.371 3.327 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCNc1c(F)cc(C#N)cc1F ZINC000301098613 373658610 /nfs/dbraw/zinc/65/86/10/373658610.db2.gz JWURQHICVJKTNT-LLVKDONJSA-N 1 1 279.334 3.123 20 30 CGEDMO C[N@@H+](CCNc1ccc(C#N)cc1)Cc1ccccc1 ZINC000301069946 373649085 /nfs/dbraw/zinc/64/90/85/373649085.db2.gz FJGAMWIXWXJIRU-UHFFFAOYSA-N 1 1 265.360 3.102 20 30 CGEDMO C[C@H](Cc1ccccc1)N1CCC([NH2+]CCCCC#N)CC1 ZINC000449131133 373664199 /nfs/dbraw/zinc/66/41/99/373664199.db2.gz KGUMBENJWUDMMC-QGZVFWFLSA-N 1 1 299.462 3.365 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1c(Cl)cccc1N1CCOCC1 ZINC000449228895 373673089 /nfs/dbraw/zinc/67/30/89/373673089.db2.gz WVWZDMWCLWOIDU-UHFFFAOYSA-N 1 1 294.826 3.185 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1c(Cl)cccc1N1CCOCC1 ZINC000449228895 373673097 /nfs/dbraw/zinc/67/30/97/373673097.db2.gz WVWZDMWCLWOIDU-UHFFFAOYSA-N 1 1 294.826 3.185 20 30 CGEDMO C=CCC[C@H]([NH2+][C@H]1CC[C@H]1C1CCC1)C(=O)OCC ZINC000449656079 373837473 /nfs/dbraw/zinc/83/74/73/373837473.db2.gz JCTZYVDPHCCPPD-KKUMJFAQSA-N 1 1 265.397 3.053 20 30 CGEDMO C=CCC1(C(=O)NCC[N@H+](C)C2CCCC2)CCCC1 ZINC000449846638 373943016 /nfs/dbraw/zinc/94/30/16/373943016.db2.gz ZQOSCGCALNVQSE-UHFFFAOYSA-N 1 1 278.440 3.114 20 30 CGEDMO Cc1ccc(NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)nc1C#N ZINC000302661947 373918952 /nfs/dbraw/zinc/91/89/52/373918952.db2.gz PGLYYLAMRFVRIJ-OKILXGFUSA-N 1 1 286.423 3.042 20 30 CGEDMO CO[C@@H](Cc1ccccc1)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000450225234 374008533 /nfs/dbraw/zinc/00/85/33/374008533.db2.gz FVIAPJJQFUJUJG-IBGZPJMESA-N 1 1 294.398 3.248 20 30 CGEDMO C=CC[N@H+](C[C@H](O)COCC(C)C)CC1CCCCC1 ZINC000303456736 374018263 /nfs/dbraw/zinc/01/82/63/374018263.db2.gz MOERVKUDIWUMED-KRWDZBQOSA-N 1 1 283.456 3.088 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1OC ZINC000305091437 374066765 /nfs/dbraw/zinc/06/67/65/374066765.db2.gz PUGXKIFEDITWFQ-GOEBONIOSA-N 1 1 275.392 3.159 20 30 CGEDMO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@@H](C)c1ccc(C#N)cc1 ZINC000181567828 374141843 /nfs/dbraw/zinc/14/18/43/374141843.db2.gz YHEDDQXRAWAXBL-OAGGEKHMSA-N 1 1 285.435 3.329 20 30 CGEDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)N[C@@H](C)c1ccc(C#N)cc1 ZINC000181567828 374141849 /nfs/dbraw/zinc/14/18/49/374141849.db2.gz YHEDDQXRAWAXBL-OAGGEKHMSA-N 1 1 285.435 3.329 20 30 CGEDMO C[C@H](NCC1(C#N)CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000450693134 374172730 /nfs/dbraw/zinc/17/27/30/374172730.db2.gz CXNSHFPSEBJQMQ-FUHWJXTLSA-N 1 1 297.446 3.180 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+](C)Cc1occc1C ZINC000312996308 374297433 /nfs/dbraw/zinc/29/74/33/374297433.db2.gz MTGLZUXVIQMZIK-UHFFFAOYSA-N 1 1 270.332 3.100 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](C)Cc1occc1C ZINC000312996308 374297436 /nfs/dbraw/zinc/29/74/36/374297436.db2.gz MTGLZUXVIQMZIK-UHFFFAOYSA-N 1 1 270.332 3.100 20 30 CGEDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000313703977 374304539 /nfs/dbraw/zinc/30/45/39/374304539.db2.gz AZQADTUKDVXPGF-GUYCJALGSA-N 1 1 290.382 3.213 20 30 CGEDMO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)[C@H]2CCCC[C@H]12 ZINC000182486827 374281533 /nfs/dbraw/zinc/28/15/33/374281533.db2.gz YBIFWPZEGCXGKC-XYPHTWIQSA-N 1 1 297.402 3.007 20 30 CGEDMO C[C@H]1CCCC[C@@H]1[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000314782513 374321857 /nfs/dbraw/zinc/32/18/57/374321857.db2.gz ITCSTSUQDDOBMS-YOEHRIQHSA-N 1 1 299.418 3.397 20 30 CGEDMO C[C@H]1CCC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000315024593 374324731 /nfs/dbraw/zinc/32/47/31/374324731.db2.gz UNEKGZFMFBWZFU-WMLDXEAASA-N 1 1 299.418 3.397 20 30 CGEDMO C[C@H]1CN(CCC(C)(C)C#N)CC[N@@H+](Cc2ccccc2)C1 ZINC000323944039 374357137 /nfs/dbraw/zinc/35/71/37/374357137.db2.gz UXPYHDOYQUZJRC-KRWDZBQOSA-N 1 1 299.462 3.380 20 30 CGEDMO C[C@@H]1CN(Cc2ccccc2)CC[N@H+](CCC(C)(C)C#N)C1 ZINC000323944039 374357140 /nfs/dbraw/zinc/35/71/40/374357140.db2.gz UXPYHDOYQUZJRC-KRWDZBQOSA-N 1 1 299.462 3.380 20 30 CGEDMO C[C@@H]1CN(Cc2ccccc2)CC[N@@H+](CCC(C)(C)C#N)C1 ZINC000323944039 374357144 /nfs/dbraw/zinc/35/71/44/374357144.db2.gz UXPYHDOYQUZJRC-KRWDZBQOSA-N 1 1 299.462 3.380 20 30 CGEDMO C[C@@H](C1CCC1)[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000325590272 374358691 /nfs/dbraw/zinc/35/86/91/374358691.db2.gz QLFWGDJQBQFKMS-AWEZNQCLSA-N 1 1 272.392 3.448 20 30 CGEDMO C[N@@H+](CCNC(=O)c1coc(C2CCCCC2)n1)C1CC1 ZINC000328739841 374379232 /nfs/dbraw/zinc/37/92/32/374379232.db2.gz LKPNOLULMIYFAV-UHFFFAOYSA-N 1 1 291.395 3.121 20 30 CGEDMO CCn1ccnc1[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000453377900 374463821 /nfs/dbraw/zinc/46/38/21/374463821.db2.gz ZHOJUELWXGZJGS-RYUDHWBXSA-N 1 1 286.354 3.326 20 30 CGEDMO CCCc1ncc(C[NH2+][C@H](C)c2cccc(C#N)c2)o1 ZINC000453382214 374468087 /nfs/dbraw/zinc/46/80/87/374468087.db2.gz LSSNEHSAIBETFO-GFCCVEGCSA-N 1 1 269.348 3.350 20 30 CGEDMO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(CC#N)cc2)on1 ZINC000331866659 374548390 /nfs/dbraw/zinc/54/83/90/374548390.db2.gz UESOZTCMSHERNT-INIZCTEOSA-N 1 1 281.359 3.386 20 30 CGEDMO CC[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(C#N)o1 ZINC000185653368 374706179 /nfs/dbraw/zinc/70/61/79/374706179.db2.gz BGUGSJCGHCVNMV-HNNXBMFYSA-N 1 1 266.344 3.488 20 30 CGEDMO C[C@@H]1CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@@H]1C ZINC000459333461 374804652 /nfs/dbraw/zinc/80/46/52/374804652.db2.gz BTBDKNQMFVKXJZ-VXGBXAGGSA-N 1 1 273.336 3.087 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@@H]1C ZINC000459333461 374804661 /nfs/dbraw/zinc/80/46/61/374804661.db2.gz BTBDKNQMFVKXJZ-VXGBXAGGSA-N 1 1 273.336 3.087 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)C(C)C ZINC000467294814 374973803 /nfs/dbraw/zinc/97/38/03/374973803.db2.gz DOIMOJDXOMNLLK-QGZVFWFLSA-N 1 1 288.435 3.050 20 30 CGEDMO CO[C@H]1C[N@H+](CC#Cc2ccccc2Cl)CC[C@H]1C ZINC000467284191 374973896 /nfs/dbraw/zinc/97/38/96/374973896.db2.gz ORKKYQSBCWIOCN-CJNGLKHVSA-N 1 1 277.795 3.048 20 30 CGEDMO CO[C@H]1C[N@@H+](CC#Cc2ccccc2Cl)CC[C@H]1C ZINC000467284191 374973902 /nfs/dbraw/zinc/97/39/02/374973902.db2.gz ORKKYQSBCWIOCN-CJNGLKHVSA-N 1 1 277.795 3.048 20 30 CGEDMO C=CCC(CC=C)C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000467815129 374977497 /nfs/dbraw/zinc/97/74/97/374977497.db2.gz HLUHLYVUOITNJC-UHFFFAOYSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCOCCC[N@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000470778132 374998910 /nfs/dbraw/zinc/99/89/10/374998910.db2.gz BJDOUHMRUBGTKU-MRXNPFEDSA-N 1 1 261.409 3.451 20 30 CGEDMO C=C(C)[C@@H]([NH2+]Cc1cncn1C)c1ccc(F)c(F)c1 ZINC000187371126 375010302 /nfs/dbraw/zinc/01/03/02/375010302.db2.gz RTTVEQRGGPZVSM-OAHLLOKOSA-N 1 1 277.318 3.105 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2Cc3ccccc3C3(CC3)C2)o1 ZINC000187677639 375070113 /nfs/dbraw/zinc/07/01/13/375070113.db2.gz PPUPXAXYIBTRKI-UHFFFAOYSA-N 1 1 264.328 3.199 20 30 CGEDMO N#Cc1ccc(C[N@H+]2Cc3ccccc3C3(CC3)C2)o1 ZINC000187677639 375070118 /nfs/dbraw/zinc/07/01/18/375070118.db2.gz PPUPXAXYIBTRKI-UHFFFAOYSA-N 1 1 264.328 3.199 20 30 CGEDMO C=C(C)[C@@H]([NH2+]CC(=O)N[C@H](C)CC)c1ccc(F)c(F)c1 ZINC000187764242 375089417 /nfs/dbraw/zinc/08/94/17/375089417.db2.gz RLGHQKGEZNECMU-BDJLRTHQSA-N 1 1 296.361 3.086 20 30 CGEDMO C=C(C)C[N@@H+](CC[C@@H]1CCOC1)Cc1ccccc1 ZINC000475277371 375131521 /nfs/dbraw/zinc/13/15/21/375131521.db2.gz SCSVHSDHWXPZQT-QGZVFWFLSA-N 1 1 259.393 3.491 20 30 CGEDMO C=CC[N@H+]1[C@H](C(=O)OC(C)(C)C)C[C@H]2CCCC[C@@H]21 ZINC000481826910 375168258 /nfs/dbraw/zinc/16/82/58/375168258.db2.gz WPQRPDPSGPGDNV-RDBSUJKOSA-N 1 1 265.397 3.147 20 30 CGEDMO C(#Cc1ccccc1)C[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000483949598 375184314 /nfs/dbraw/zinc/18/43/14/375184314.db2.gz CKCXXQMYTABGFF-UHFFFAOYSA-N 1 1 283.415 3.463 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCOC2(C1)CCCCCC2 ZINC000483949598 375184319 /nfs/dbraw/zinc/18/43/19/375184319.db2.gz CKCXXQMYTABGFF-UHFFFAOYSA-N 1 1 283.415 3.463 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccc(OC)c2ccccc12 ZINC000483418205 375180138 /nfs/dbraw/zinc/18/01/38/375180138.db2.gz GCCJCIYVGOXNGE-UHFFFAOYSA-N 1 1 285.387 3.483 20 30 CGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCC[C@H](C)C1 ZINC000187924929 375118730 /nfs/dbraw/zinc/11/87/30/375118730.db2.gz ACXHEACYYFYSNR-KBPBESRZSA-N 1 1 285.391 3.007 20 30 CGEDMO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000487379371 375233572 /nfs/dbraw/zinc/23/35/72/375233572.db2.gz NMRRRIRKBPBKKO-GDBMZVCRSA-N 1 1 286.419 3.487 20 30 CGEDMO Cc1nc(N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)ccc1C#N ZINC000488053778 375299776 /nfs/dbraw/zinc/29/97/76/375299776.db2.gz FECSJADRIUDKBU-JKIFEVAISA-N 1 1 298.434 3.103 20 30 CGEDMO C#CC[N@@H+](Cc1cc2cccnc2o1)C1CCCC1 ZINC000491694225 375341755 /nfs/dbraw/zinc/34/17/55/375341755.db2.gz KTZGMWSFGKKANM-UHFFFAOYSA-N 1 1 254.333 3.206 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)Nc1ccccc1 ZINC000189226756 375343611 /nfs/dbraw/zinc/34/36/11/375343611.db2.gz AMVBSFONCCWTEN-CQSZACIVSA-N 1 1 293.370 3.190 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)Nc1ccccc1 ZINC000189226756 375343614 /nfs/dbraw/zinc/34/36/14/375343614.db2.gz AMVBSFONCCWTEN-CQSZACIVSA-N 1 1 293.370 3.190 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(OCc2cccnc2)cc1 ZINC000494658233 375489918 /nfs/dbraw/zinc/48/99/18/375489918.db2.gz WXWJTEJDUMLPIX-UHFFFAOYSA-N 1 1 268.360 3.278 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)ccc1C#N ZINC000335933690 375549927 /nfs/dbraw/zinc/54/99/27/375549927.db2.gz NSHGURWUJXKDLX-SJORKVTESA-N 1 1 270.376 3.010 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000496822010 375558457 /nfs/dbraw/zinc/55/84/57/375558457.db2.gz RAQBRBPPDVWKSL-ZBFHGGJFSA-N 1 1 286.375 3.052 20 30 CGEDMO C[C@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CCC1(F)F ZINC000336008267 375613453 /nfs/dbraw/zinc/61/34/53/375613453.db2.gz JCXYMOYBVHJLKC-JTQLQIEISA-N 1 1 268.282 3.174 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CCC1(F)F ZINC000336008267 375613457 /nfs/dbraw/zinc/61/34/57/375613457.db2.gz JCXYMOYBVHJLKC-JTQLQIEISA-N 1 1 268.282 3.174 20 30 CGEDMO CC[N@H+]1C[C@H](C)N(Cc2ccccc2C(C)(C)C#N)C[C@H]1C ZINC000498922298 375628306 /nfs/dbraw/zinc/62/83/06/375628306.db2.gz KZRJTIONPFRZGP-CVEARBPZSA-N 1 1 299.462 3.402 20 30 CGEDMO CCN1C[C@H](C)[N@H+](Cc2ccccc2C(C)(C)C#N)C[C@H]1C ZINC000498922298 375628311 /nfs/dbraw/zinc/62/83/11/375628311.db2.gz KZRJTIONPFRZGP-CVEARBPZSA-N 1 1 299.462 3.402 20 30 CGEDMO CCN1C[C@H](C)[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@H]1C ZINC000498922298 375628319 /nfs/dbraw/zinc/62/83/19/375628319.db2.gz KZRJTIONPFRZGP-CVEARBPZSA-N 1 1 299.462 3.402 20 30 CGEDMO CC(C)CC[C@@H]1CCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191430802 375628443 /nfs/dbraw/zinc/62/84/43/375628443.db2.gz KFYHBYQWKJCBEU-HNNXBMFYSA-N 1 1 259.397 3.297 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000498799876 375629154 /nfs/dbraw/zinc/62/91/54/375629154.db2.gz SDYGLDIIDKLNTR-HUUCEWRRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@H+](Cc1ccc(OC)cc1OC)CC1CC1 ZINC000503243681 375649709 /nfs/dbraw/zinc/64/97/09/375649709.db2.gz NMDYABKHIDBXJW-UHFFFAOYSA-N 1 1 275.392 3.492 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000505859208 375662255 /nfs/dbraw/zinc/66/22/55/375662255.db2.gz RJSPVWSXMNGVTQ-UHFFFAOYSA-N 1 1 299.317 3.415 20 30 CGEDMO CO[C@]1(C)CCC[N@@H+](Cc2ccc(F)cc2C#N)CC1 ZINC000336087513 375676513 /nfs/dbraw/zinc/67/65/13/375676513.db2.gz AHHURNWXDOOVJW-MRXNPFEDSA-N 1 1 276.355 3.088 20 30 CGEDMO CCCO[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000192015713 375689239 /nfs/dbraw/zinc/68/92/39/375689239.db2.gz VMQIFSNLWIEIQD-MRXNPFEDSA-N 1 1 290.382 3.478 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000509677965 375782113 /nfs/dbraw/zinc/78/21/13/375782113.db2.gz CARMUKUAVOXDGZ-OAHLLOKOSA-N 1 1 292.810 3.343 20 30 CGEDMO C[C@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000192623997 375772752 /nfs/dbraw/zinc/77/27/52/375772752.db2.gz HSLPVUIMQBWNMP-AAEUAGOBSA-N 1 1 291.420 3.069 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H]2c2cccnc2)c1 ZINC000336443859 375795599 /nfs/dbraw/zinc/79/55/99/375795599.db2.gz AOWALMQNHAJAQB-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H]2c2cccnc2)c1 ZINC000336443859 375795604 /nfs/dbraw/zinc/79/56/04/375795604.db2.gz AOWALMQNHAJAQB-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1nnc2ccccn21 ZINC000192982391 375811968 /nfs/dbraw/zinc/81/19/68/375811968.db2.gz ZXHHJRNLDNKZAA-STQMWFEESA-N 1 1 291.358 3.013 20 30 CGEDMO C=C(CC)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000511759477 375792229 /nfs/dbraw/zinc/79/22/29/375792229.db2.gz UTEBXIOIVNYFOF-SQNIBIBYSA-N 1 1 271.404 3.457 20 30 CGEDMO C[C@@H]1CC[N@@H+](C[C@H](O)CC2(C#N)CC2)CC12CCCCC2 ZINC000528447624 375902233 /nfs/dbraw/zinc/90/22/33/375902233.db2.gz BAAFCIILEAVART-HZPDHXFCSA-N 1 1 290.451 3.333 20 30 CGEDMO CC(C)[C@H]1CN(CCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000528641076 375907229 /nfs/dbraw/zinc/90/72/29/375907229.db2.gz RSCNAZHBUJROTL-GOSISDBHSA-N 1 1 285.435 3.133 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1CCCC#N ZINC000528612250 375907331 /nfs/dbraw/zinc/90/73/31/375907331.db2.gz VSFXFLCQFCPAMH-GOSISDBHSA-N 1 1 285.435 3.133 20 30 CGEDMO CC(C)[C@H]1CN(Cc2ccccc2)CC[N@@H+]1CCCC#N ZINC000528612250 375907338 /nfs/dbraw/zinc/90/73/38/375907338.db2.gz VSFXFLCQFCPAMH-GOSISDBHSA-N 1 1 285.435 3.133 20 30 CGEDMO CC(C)[C@H]1CN(Cc2ccccc2)CC[N@H+]1CCCC#N ZINC000528612250 375907343 /nfs/dbraw/zinc/90/73/43/375907343.db2.gz VSFXFLCQFCPAMH-GOSISDBHSA-N 1 1 285.435 3.133 20 30 CGEDMO N#CC1(C[NH2+][C@@H](c2ccccn2)C2CCC2)CCC1 ZINC000528656816 375907524 /nfs/dbraw/zinc/90/75/24/375907524.db2.gz UCKUWPZKOLPCKR-OAHLLOKOSA-N 1 1 255.365 3.206 20 30 CGEDMO C=CCOCC[N@@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000528799376 375910159 /nfs/dbraw/zinc/91/01/59/375910159.db2.gz SXZQVOPQZUKROE-UHFFFAOYSA-N 1 1 285.309 3.266 20 30 CGEDMO C=CCOCC[N@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000528799376 375910166 /nfs/dbraw/zinc/91/01/66/375910166.db2.gz SXZQVOPQZUKROE-UHFFFAOYSA-N 1 1 285.309 3.266 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(F)cc1)C1Cc2ccccc2C1 ZINC000532605960 375952254 /nfs/dbraw/zinc/95/22/54/375952254.db2.gz QIKZKIZGRFEOKU-UHFFFAOYSA-N 1 1 279.358 3.276 20 30 CGEDMO C=CC[N@@H+](Cc1cc(OCC)c(OC)cc1F)C1CC1 ZINC000529544207 375928180 /nfs/dbraw/zinc/92/81/80/375928180.db2.gz VBCTWNVLPLACRN-UHFFFAOYSA-N 1 1 279.355 3.383 20 30 CGEDMO C=CC[N@H+](Cc1cc(OCC)c(OC)cc1F)C1CC1 ZINC000529544207 375928187 /nfs/dbraw/zinc/92/81/87/375928187.db2.gz VBCTWNVLPLACRN-UHFFFAOYSA-N 1 1 279.355 3.383 20 30 CGEDMO N#CCC[N@H+](CC1CC1)C[C@H]1CCC2(CCCC2)O1 ZINC000530358304 375940957 /nfs/dbraw/zinc/94/09/57/375940957.db2.gz HUWUFHKDBRMWOA-OAHLLOKOSA-N 1 1 262.397 3.104 20 30 CGEDMO N#CCC[N@@H+](CC1CC1)C[C@H]1CCC2(CCCC2)O1 ZINC000530358304 375940960 /nfs/dbraw/zinc/94/09/60/375940960.db2.gz HUWUFHKDBRMWOA-OAHLLOKOSA-N 1 1 262.397 3.104 20 30 CGEDMO CC(C)N1C(=O)C[N@@H+](CCCCC(C)(C)C#N)CC1(C)C ZINC000336845281 376007492 /nfs/dbraw/zinc/00/74/92/376007492.db2.gz DZQXSGGURYGWLL-UHFFFAOYSA-N 1 1 293.455 3.038 20 30 CGEDMO Cc1ccc(C#N)c(NCCC[N@H+](C)Cc2ccccc2)n1 ZINC000194308651 375982655 /nfs/dbraw/zinc/98/26/55/375982655.db2.gz UNFPGSKSXMDGOK-UHFFFAOYSA-N 1 1 294.402 3.196 20 30 CGEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)c2cccc(Cl)c2)C1=O ZINC000337125701 376087590 /nfs/dbraw/zinc/08/75/90/376087590.db2.gz FFNZYOXPBIRCNM-WFASDCNBSA-N 1 1 292.810 3.120 20 30 CGEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@@H](c3ccccc3)CC2)C1=O ZINC000337145610 376100675 /nfs/dbraw/zinc/10/06/75/376100675.db2.gz XMNMPLMJKQMYAL-MSOLQXFVSA-N 1 1 298.430 3.043 20 30 CGEDMO CCC[N@H+](CCCC1(C#N)CCOCC1)CC(F)F ZINC000337145623 376100781 /nfs/dbraw/zinc/10/07/81/376100781.db2.gz XNEZQNBQDYOESD-UHFFFAOYSA-N 1 1 274.355 3.064 20 30 CGEDMO CCC[N@@H+](CCCC1(C#N)CCOCC1)CC(F)F ZINC000337145623 376100786 /nfs/dbraw/zinc/10/07/86/376100786.db2.gz XNEZQNBQDYOESD-UHFFFAOYSA-N 1 1 274.355 3.064 20 30 CGEDMO CCC(CC)[N@@H+](Cc1cnc2ccc(C#N)cn12)C1CC1 ZINC000535802396 376062252 /nfs/dbraw/zinc/06/22/52/376062252.db2.gz CRXFQFDROMAVMC-UHFFFAOYSA-N 1 1 282.391 3.359 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2c2cccc(C)c2C)C1=O ZINC000337197412 376130599 /nfs/dbraw/zinc/13/05/99/376130599.db2.gz XDLAPQAMTDZDKU-MSOLQXFVSA-N 1 1 298.430 3.227 20 30 CGEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@@H](C)C3(CCCCC3)C2)C1=O ZINC000337216058 376143415 /nfs/dbraw/zinc/14/34/15/376143415.db2.gz YXKXEZOBHPJQBM-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO CC[C@@H](C)[N@@H+](C)CCNc1cc(C#N)c2ccccc2n1 ZINC000218070772 376182557 /nfs/dbraw/zinc/18/25/57/376182557.db2.gz UNNQDOJUVURSST-CYBMUJFWSA-N 1 1 282.391 3.249 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H]2Cc2ccccc2)s1 ZINC000537619148 376183795 /nfs/dbraw/zinc/18/37/95/376183795.db2.gz XHVDEIYBUCHRCP-AWEZNQCLSA-N 1 1 268.385 3.437 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000539433947 376312115 /nfs/dbraw/zinc/31/21/15/376312115.db2.gz VQUBZGPFWDLUBD-ARFHVFGLSA-N 1 1 295.471 3.293 20 30 CGEDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000539588860 376320786 /nfs/dbraw/zinc/32/07/86/376320786.db2.gz SKEZVZVNPFXNTJ-CQSZACIVSA-N 1 1 294.439 3.370 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)cc1OC ZINC000539834317 376340069 /nfs/dbraw/zinc/34/00/69/376340069.db2.gz SBMYAJBGEDRWCL-GASCZTMLSA-N 1 1 287.403 3.348 20 30 CGEDMO C=CCCC[C@@H](C)[N@@H+](C)CCC(=O)OC(C)(C)C ZINC000539250269 376302062 /nfs/dbraw/zinc/30/20/62/376302062.db2.gz LGVDNZFYVJEHJH-CYBMUJFWSA-N 1 1 255.402 3.395 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H]2c2cccnc2)ccc1F ZINC000334280200 206303028 /nfs/dbraw/zinc/30/30/28/206303028.db2.gz RFKBUYYOXKQAAZ-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]2c2cccnc2)ccc1F ZINC000334280200 206303030 /nfs/dbraw/zinc/30/30/30/206303030.db2.gz RFKBUYYOXKQAAZ-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO C=CCOCC[N@@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000338917673 376576188 /nfs/dbraw/zinc/57/61/88/376576188.db2.gz YDPYODLIHRPXIR-UHFFFAOYSA-N 1 1 267.319 3.132 20 30 CGEDMO C=CCOCC[N@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000338917673 376576197 /nfs/dbraw/zinc/57/61/97/376576197.db2.gz YDPYODLIHRPXIR-UHFFFAOYSA-N 1 1 267.319 3.132 20 30 CGEDMO C=CCN(CCc1ccccc1)c1[nH+]cnc2[nH]ccc21 ZINC000339139581 376705096 /nfs/dbraw/zinc/70/50/96/376705096.db2.gz GPGDYOLENLWKFX-UHFFFAOYSA-N 1 1 278.359 3.193 20 30 CGEDMO C[N@@H+](CCOc1ccc(C#N)cc1)C[C@H]1CC=CCC1 ZINC000544113874 376705044 /nfs/dbraw/zinc/70/50/44/376705044.db2.gz FSJLKKOXIJNDJY-INIZCTEOSA-N 1 1 270.376 3.225 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000339441410 376756234 /nfs/dbraw/zinc/75/62/34/376756234.db2.gz NDHRGGKRYHWXRJ-UHFFFAOYSA-N 1 1 290.451 3.089 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCn3cccc3[C@H]2C)cc1 ZINC000245502745 376835318 /nfs/dbraw/zinc/83/53/18/376835318.db2.gz GTIHSTFXJAYEHX-HUUCEWRRSA-N 1 1 295.386 3.356 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCn3cccc3[C@H]2C)cc1 ZINC000245502745 376835331 /nfs/dbraw/zinc/83/53/31/376835331.db2.gz GTIHSTFXJAYEHX-HUUCEWRRSA-N 1 1 295.386 3.356 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](OC(F)F)C2)cc1 ZINC000555367706 376856088 /nfs/dbraw/zinc/85/60/88/376856088.db2.gz GKRWNLLDJIZIQY-AWEZNQCLSA-N 1 1 283.318 3.065 20 30 CGEDMO CCNC(=O)C[C@@H]1CCCC[N@H+]1CCCCC(C)(C)C#N ZINC000556517389 376864457 /nfs/dbraw/zinc/86/44/57/376864457.db2.gz BGPRESJIOYDBAO-HNNXBMFYSA-N 1 1 293.455 3.087 20 30 CGEDMO C=CC[NH+](CC=C)[C@H](C)C(=O)N(CC)C1CCCCC1 ZINC000556620195 376865970 /nfs/dbraw/zinc/86/59/70/376865970.db2.gz WOCWDAYMPMWRII-OAHLLOKOSA-N 1 1 278.440 3.230 20 30 CGEDMO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@@H](C)c1ccc(C#N)cc1 ZINC000245961894 376944884 /nfs/dbraw/zinc/94/48/84/376944884.db2.gz YHEDDQXRAWAXBL-PMPSAXMXSA-N 1 1 285.435 3.329 20 30 CGEDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)N[C@@H](C)c1ccc(C#N)cc1 ZINC000245961894 376944890 /nfs/dbraw/zinc/94/48/90/376944890.db2.gz YHEDDQXRAWAXBL-PMPSAXMXSA-N 1 1 285.435 3.329 20 30 CGEDMO CC(C)(CO)[C@H]([NH2+]Cc1ccccc1C#N)c1ccccc1 ZINC000340200997 376947727 /nfs/dbraw/zinc/94/77/27/376947727.db2.gz HSMGNVRPJUDPBB-GOSISDBHSA-N 1 1 294.398 3.408 20 30 CGEDMO C#CC[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000246992098 377134830 /nfs/dbraw/zinc/13/48/30/377134830.db2.gz KFTOPNHXEWJVFD-ZIAGYGMSSA-N 1 1 263.406 3.049 20 30 CGEDMO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)[C@H]2CCCC[C@@H]12 ZINC000248450529 377321918 /nfs/dbraw/zinc/32/19/18/377321918.db2.gz YBIFWPZEGCXGKC-COXVUDFISA-N 1 1 297.402 3.007 20 30 CGEDMO C=CCCCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000562539313 377327006 /nfs/dbraw/zinc/32/70/06/377327006.db2.gz YYHIOMXPLZDQGF-UHFFFAOYSA-N 1 1 262.353 3.425 20 30 CGEDMO CCCC[N@H+](C)C[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000562090881 377275727 /nfs/dbraw/zinc/27/57/27/377275727.db2.gz YKAMHGGMNKLIRN-HUUCEWRRSA-N 1 1 273.424 3.329 20 30 CGEDMO CCCC[N@@H+](C)C[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000562090881 377275734 /nfs/dbraw/zinc/27/57/34/377275734.db2.gz YKAMHGGMNKLIRN-HUUCEWRRSA-N 1 1 273.424 3.329 20 30 CGEDMO CN(C)CC[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)C(C)(C)C ZINC000248882616 377420932 /nfs/dbraw/zinc/42/09/32/377420932.db2.gz RUIFYHNQGJGPCX-ILXRZTDVSA-N 1 1 265.445 3.025 20 30 CGEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C(C)C ZINC000563215058 377422050 /nfs/dbraw/zinc/42/20/50/377422050.db2.gz IDWSUZNMGLYUEE-UHFFFAOYSA-N 1 1 275.352 3.333 20 30 CGEDMO N#C[C@@H]1CCC[C@@H](N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000248800101 377402256 /nfs/dbraw/zinc/40/22/56/377402256.db2.gz JOVBJMINIJTDKI-BHIYHBOVSA-N 1 1 297.446 3.495 20 30 CGEDMO C=CCCCC[N@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000565874357 377491068 /nfs/dbraw/zinc/49/10/68/377491068.db2.gz GSXYVFONHJEJHP-UHFFFAOYSA-N 1 1 282.334 3.191 20 30 CGEDMO CC[C@H](CSC)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000091098546 249030480 /nfs/dbraw/zinc/03/04/80/249030480.db2.gz XWFUMBLHNQPBRL-CQSZACIVSA-N 1 1 278.421 3.010 20 30 CGEDMO N#Cc1csc(C[NH2+]Cc2cc(F)ccc2F)c1 ZINC000093492632 249037644 /nfs/dbraw/zinc/03/76/44/249037644.db2.gz SVLQNCUSQMDTMP-UHFFFAOYSA-N 1 1 264.300 3.188 20 30 CGEDMO N#Cc1ccc(OCC[N@H+]2CC[C@H](c3ccccc3)C2)cc1 ZINC000315472438 249099053 /nfs/dbraw/zinc/09/90/53/249099053.db2.gz UHASUHIZJKRIJZ-SFHVURJKSA-N 1 1 292.382 3.427 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)C[C@H]1CCCC[C@H]1O ZINC000572291400 377547457 /nfs/dbraw/zinc/54/74/57/377547457.db2.gz LWMWXGSUYAUHBG-UKRRQHHQSA-N 1 1 265.422 3.287 20 30 CGEDMO CCCC[N@@H+](C)C[C@@H](C)Nc1ccc(F)cc1C#N ZINC000515023990 249198882 /nfs/dbraw/zinc/19/88/82/249198882.db2.gz QUVULEKOYSAVEL-GFCCVEGCSA-N 1 1 263.360 3.230 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cnn(CC(C)C)c1 ZINC000341470743 377579729 /nfs/dbraw/zinc/57/97/29/377579729.db2.gz GYCOQBDUNYNGNL-UHFFFAOYSA-N 1 1 287.407 3.363 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](OC(C)C)C2)cc1 ZINC000573921251 377595637 /nfs/dbraw/zinc/59/56/37/377595637.db2.gz OSUHNLTUKWPNPZ-QGZVFWFLSA-N 1 1 275.392 3.251 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000253104225 377678036 /nfs/dbraw/zinc/67/80/36/377678036.db2.gz ZGNQQGJWCJQSLK-KURKYZTESA-N 1 1 284.403 3.074 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC[C@H]1CCCO1 ZINC000342598244 377682530 /nfs/dbraw/zinc/68/25/30/377682530.db2.gz SEKFMRQXYXZYQY-XJKSGUPXSA-N 1 1 258.365 3.120 20 30 CGEDMO C[C@@H](C[NH+]1CCC(C)CC1)N[C@H]1CCc2ccc(C#N)cc21 ZINC000574585013 377683479 /nfs/dbraw/zinc/68/34/79/377683479.db2.gz PIGWEHIREBXEPK-KXBFYZLASA-N 1 1 297.446 3.256 20 30 CGEDMO C=CCC[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000342767160 377780615 /nfs/dbraw/zinc/78/06/15/377780615.db2.gz XOJXDEDXZDVJHE-UHFFFAOYSA-N 1 1 287.319 3.258 20 30 CGEDMO CC1=C[C@@H](C)C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000575114272 377749178 /nfs/dbraw/zinc/74/91/78/377749178.db2.gz VGLAIBLZTPUDIQ-GFCCVEGCSA-N 1 1 294.358 3.006 20 30 CGEDMO CC1=C[C@@H](C)C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000575114272 377749182 /nfs/dbraw/zinc/74/91/82/377749182.db2.gz VGLAIBLZTPUDIQ-GFCCVEGCSA-N 1 1 294.358 3.006 20 30 CGEDMO COC[C@@H]1CCCC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000342734061 377762681 /nfs/dbraw/zinc/76/26/81/377762681.db2.gz GPJTUOINHRLLHT-GOEBONIOSA-N 1 1 272.392 3.368 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)N[C@H](CCC)c1ccccc1 ZINC000342739980 377766536 /nfs/dbraw/zinc/76/65/36/377766536.db2.gz XSZHLWWUDPWPJY-MRXNPFEDSA-N 1 1 274.408 3.152 20 30 CGEDMO N#CC1(C[NH2+]Cc2cccc(Br)c2)CCC1 ZINC000258928402 377802347 /nfs/dbraw/zinc/80/23/47/377802347.db2.gz ODPPWSMZXSWEEZ-UHFFFAOYSA-N 1 1 279.181 3.233 20 30 CGEDMO N#Cc1ccc(OCC[N@H+]2CCC[C@@H]2C2CCC2)cc1 ZINC000343012449 377881892 /nfs/dbraw/zinc/88/18/92/377881892.db2.gz XADNTOTZKQXXRU-QGZVFWFLSA-N 1 1 270.376 3.202 20 30 CGEDMO N#CC1(C[N@H+](Cc2ccccc2)CC2(O)CCCC2)CC1 ZINC000343320291 377951502 /nfs/dbraw/zinc/95/15/02/377951502.db2.gz LLMVIERPEXXQJG-UHFFFAOYSA-N 1 1 284.403 3.097 20 30 CGEDMO CCO[C@@H]1C[C@H]([N@@H+](C)CC2(C#N)CC2)C12CCCCC2 ZINC000343322539 377953437 /nfs/dbraw/zinc/95/34/37/377953437.db2.gz QPUWZDPKPJAHHM-LSDHHAIUSA-N 1 1 276.424 3.350 20 30 CGEDMO C=CCC[N@H+]1Cc2ccccc2C[C@H]1c1nnc(C)o1 ZINC000265853817 378011035 /nfs/dbraw/zinc/01/10/35/378011035.db2.gz ZEUOMGYZTGVXNQ-HNNXBMFYSA-N 1 1 269.348 3.054 20 30 CGEDMO C=CCC[N@@H+]1Cc2ccccc2C[C@H]1c1nnc(C)o1 ZINC000265853817 378011039 /nfs/dbraw/zinc/01/10/39/378011039.db2.gz ZEUOMGYZTGVXNQ-HNNXBMFYSA-N 1 1 269.348 3.054 20 30 CGEDMO CCCC[N@@H+](C)C[C@@H](C)Nc1cccc(F)c1C#N ZINC000577790781 378012744 /nfs/dbraw/zinc/01/27/44/378012744.db2.gz QFRLNQMANPZPJS-GFCCVEGCSA-N 1 1 263.360 3.230 20 30 CGEDMO C#CC[N@@H+](CC)[C@H](C)c1nc2ccccc2n1C(F)F ZINC000266947905 378029488 /nfs/dbraw/zinc/02/94/88/378029488.db2.gz SRHVSTMEVKMGII-LLVKDONJSA-N 1 1 277.318 3.448 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)c1nc2ccccc2n1C(F)F ZINC000266947905 378029491 /nfs/dbraw/zinc/02/94/91/378029491.db2.gz SRHVSTMEVKMGII-LLVKDONJSA-N 1 1 277.318 3.448 20 30 CGEDMO CC[N@@H+](Cc1ccc(OCC#N)cc1)Cc1ccccn1 ZINC000268209989 378049878 /nfs/dbraw/zinc/04/98/78/378049878.db2.gz SZWARJHYQKVONK-UHFFFAOYSA-N 1 1 281.359 3.006 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCCO[C@@H](CC)C1 ZINC000343688301 378066787 /nfs/dbraw/zinc/06/67/87/378066787.db2.gz ZAXRWSZEZKMDGC-INIZCTEOSA-N 1 1 275.392 3.252 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1cc2c(cc1Cl)OCCO2 ZINC000343699164 378069719 /nfs/dbraw/zinc/06/97/19/378069719.db2.gz WLUPPEQUAYZZAK-UHFFFAOYSA-N 1 1 267.756 3.119 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cc2c(cc1Cl)OCCO2 ZINC000343699164 378069722 /nfs/dbraw/zinc/06/97/22/378069722.db2.gz WLUPPEQUAYZZAK-UHFFFAOYSA-N 1 1 267.756 3.119 20 30 CGEDMO C=CC[N@H+](Cc1cc(=O)c(OC)co1)CC1CCCCC1 ZINC000268538719 378072869 /nfs/dbraw/zinc/07/28/69/378072869.db2.gz KLTLTDZBFMRPBN-UHFFFAOYSA-N 1 1 291.391 3.217 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000266543866 378023257 /nfs/dbraw/zinc/02/32/57/378023257.db2.gz IZMMXDSIUGMWKZ-KGLIPLIRSA-N 1 1 258.365 3.209 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CCS1 ZINC000266534317 378023385 /nfs/dbraw/zinc/02/33/85/378023385.db2.gz GZDQHLUHENLFCM-MRXNPFEDSA-N 1 1 290.432 3.162 20 30 CGEDMO N#CCSCCC[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC000266708403 378025813 /nfs/dbraw/zinc/02/58/13/378025813.db2.gz GZLFIPHCWYBYAS-UHFFFAOYSA-N 1 1 292.423 3.479 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000578901608 378111567 /nfs/dbraw/zinc/11/15/67/378111567.db2.gz VUEHXZMQIINFFI-OCCSQVGLSA-N 1 1 265.422 3.458 20 30 CGEDMO CCCCc1noc([C@@H](C)[NH+]2CCC(CCC#N)CC2)n1 ZINC000578646112 378088322 /nfs/dbraw/zinc/08/83/22/378088322.db2.gz NSFBOWDNZAEIAF-CYBMUJFWSA-N 1 1 290.411 3.489 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCC[C@@H]1C ZINC000579727338 378187928 /nfs/dbraw/zinc/18/79/28/378187928.db2.gz GLJUENBOLHDYCG-SWLSCSKDSA-N 1 1 278.421 3.257 20 30 CGEDMO N#CCCC1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000579833188 378200435 /nfs/dbraw/zinc/20/04/35/378200435.db2.gz MFQUZNLGCNPWBK-LJQANCHMSA-N 1 1 297.446 3.277 20 30 CGEDMO N#CCCC1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000579833188 378200441 /nfs/dbraw/zinc/20/04/41/378200441.db2.gz MFQUZNLGCNPWBK-LJQANCHMSA-N 1 1 297.446 3.277 20 30 CGEDMO C=CC[C@@H]1[N@H+](CCOC[C@@H]2CCCO2)CCCC1(C)C ZINC000579914235 378206745 /nfs/dbraw/zinc/20/67/45/378206745.db2.gz LSVPVJOLKFNZFW-HOTGVXAUSA-N 1 1 281.440 3.249 20 30 CGEDMO Cc1cc(C[N@@H+](C)C[C@@H](C)C#N)ccc1Br ZINC000271112571 378453745 /nfs/dbraw/zinc/45/37/45/378453745.db2.gz CEGFLIXBTJGLCY-JTQLQIEISA-N 1 1 281.197 3.349 20 30 CGEDMO Cc1cc(C[N@H+](C)C[C@@H](C)C#N)ccc1Br ZINC000271112571 378453749 /nfs/dbraw/zinc/45/37/49/378453749.db2.gz CEGFLIXBTJGLCY-JTQLQIEISA-N 1 1 281.197 3.349 20 30 CGEDMO N#Cc1ccc(C[N@H+](CCCO)Cc2ccccc2)s1 ZINC000271174828 378470297 /nfs/dbraw/zinc/47/02/97/378470297.db2.gz SGELOWFOTVLFFM-UHFFFAOYSA-N 1 1 286.400 3.004 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000270976030 378420351 /nfs/dbraw/zinc/42/03/51/378420351.db2.gz BLLUUPIQHLVFRL-ZIAGYGMSSA-N 1 1 263.406 3.049 20 30 CGEDMO C#CCCC[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000270990969 378423681 /nfs/dbraw/zinc/42/36/81/378423681.db2.gz DTLANGPJPYGWSE-HNNXBMFYSA-N 1 1 271.360 3.008 20 30 CGEDMO C=CC[NH+](CC=C)Cc1c(C)nn(C(C)(C)C)c1C ZINC000271024027 378430380 /nfs/dbraw/zinc/43/03/80/378430380.db2.gz VRZPRKGMJBFWML-UHFFFAOYSA-N 1 1 261.413 3.429 20 30 CGEDMO C=C(C)CN(CC)C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000637368970 378490492 /nfs/dbraw/zinc/49/04/92/378490492.db2.gz CWLOQVHDFYQVTE-MRXNPFEDSA-N 1 1 293.455 3.001 20 30 CGEDMO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000271495545 378495436 /nfs/dbraw/zinc/49/54/36/378495436.db2.gz IMWSBOFIVIOCSG-UKRRQHHQSA-N 1 1 258.365 3.352 20 30 CGEDMO Fc1ccc(C#CC[N@@H+]2CCC=C(c3cccnc3)C2)cc1 ZINC000347727239 378725364 /nfs/dbraw/zinc/72/53/64/378725364.db2.gz DWNHKRLXBYADCG-UHFFFAOYSA-N 1 1 292.357 3.362 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCC=C(c3cccnc3)C2)cc1 ZINC000347727239 378725367 /nfs/dbraw/zinc/72/53/67/378725367.db2.gz DWNHKRLXBYADCG-UHFFFAOYSA-N 1 1 292.357 3.362 20 30 CGEDMO Cc1cc(C[N@@H+]2CCSCC[C@H]2C)ccc1C#N ZINC000348189786 378831419 /nfs/dbraw/zinc/83/14/19/378831419.db2.gz XRZRKEJPBRSFFQ-CYBMUJFWSA-N 1 1 260.406 3.194 20 30 CGEDMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CCOc1ccccc1C#N ZINC000348246925 378862798 /nfs/dbraw/zinc/86/27/98/378862798.db2.gz NAIYLCVVKJYUTN-WCQYABFASA-N 1 1 298.308 3.210 20 30 CGEDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1CCOc1ccccc1C#N ZINC000348246922 378863093 /nfs/dbraw/zinc/86/30/93/378863093.db2.gz NAIYLCVVKJYUTN-AAEUAGOBSA-N 1 1 298.308 3.210 20 30 CGEDMO CCC(C)(C)[N@@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000348310175 378899762 /nfs/dbraw/zinc/89/97/62/378899762.db2.gz WBBYUHLDAQWPBK-MRXNPFEDSA-N 1 1 299.418 3.174 20 30 CGEDMO C=CC[C@H](C(=O)NCCC[N@H+](C)C(C)C)c1ccccc1 ZINC000275143269 378943527 /nfs/dbraw/zinc/94/35/27/378943527.db2.gz NKBLIMQDMQMKIP-KRWDZBQOSA-N 1 1 288.435 3.193 20 30 CGEDMO C[C@H](NCC(C)(C)C[NH+]1CCCC1)c1cccc(C#N)c1 ZINC000276634355 378970858 /nfs/dbraw/zinc/97/08/58/378970858.db2.gz QSNCSYRTGYYCMU-HNNXBMFYSA-N 1 1 285.435 3.331 20 30 CGEDMO C[C@@H](NCC(C)(C)C[NH+]1CCCC1)c1cccc(C#N)c1 ZINC000276634380 378971731 /nfs/dbraw/zinc/97/17/31/378971731.db2.gz QSNCSYRTGYYCMU-OAHLLOKOSA-N 1 1 285.435 3.331 20 30 CGEDMO C=CCSCC[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000278585479 194056851 /nfs/dbraw/zinc/05/68/51/194056851.db2.gz GKOGGUDNCSLEGF-UHFFFAOYSA-N 1 1 282.356 3.171 20 30 CGEDMO Cc1cccc([C@H]2CC[N@H+](Cc3cc(C#N)n(C)c3)C2)c1 ZINC000276787798 378998179 /nfs/dbraw/zinc/99/81/79/378998179.db2.gz RVKAYKLOAYMQPS-KRWDZBQOSA-N 1 1 279.387 3.195 20 30 CGEDMO CCCC[N@@H+](Cc1ccc(C#N)cc1OC)C1CC1 ZINC000347321843 218191051 /nfs/dbraw/zinc/19/10/51/218191051.db2.gz ZBCWISCHQFHRHD-UHFFFAOYSA-N 1 1 258.365 3.331 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000639264747 379210647 /nfs/dbraw/zinc/21/06/47/379210647.db2.gz FUQNIOYDJMEDDW-KSSFIOAISA-N 1 1 298.386 3.036 20 30 CGEDMO N#Cc1ccc(C[N@@H+](C[C@H]2CCSC2)C2CC2)cc1 ZINC000278361696 379361812 /nfs/dbraw/zinc/36/18/12/379361812.db2.gz AYZGHZMXOCQZLO-OAHLLOKOSA-N 1 1 272.417 3.276 20 30 CGEDMO C=C(C)C[N@H+](Cc1cn(C)nc1C)Cc1ccccc1 ZINC000279660975 379484008 /nfs/dbraw/zinc/48/40/08/379484008.db2.gz LXIVMJKDIUGDRW-UHFFFAOYSA-N 1 1 269.392 3.307 20 30 CGEDMO C=CCOc1ccccc1CNc1cc(CCOC)cc[nH+]1 ZINC000351541540 379726547 /nfs/dbraw/zinc/72/65/47/379726547.db2.gz AGXVRSOSJSSQEE-UHFFFAOYSA-N 1 1 298.386 3.447 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000351751051 379741099 /nfs/dbraw/zinc/74/10/99/379741099.db2.gz FONIPDBHWBQVQV-QGZVFWFLSA-N 1 1 258.409 3.159 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCc2c(F)cc(F)cc2[C@H]1C ZINC000351741004 379742695 /nfs/dbraw/zinc/74/26/95/379742695.db2.gz QGOHORANYNRJJH-DGCLKSJQSA-N 1 1 281.346 3.211 20 30 CGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](CCC)C1CC1 ZINC000351772899 379743804 /nfs/dbraw/zinc/74/38/04/379743804.db2.gz ALWYOJKDHJRGMV-KRWDZBQOSA-N 1 1 289.419 3.029 20 30 CGEDMO C=C(C)CC[N@@H+](C)Cc1nc([C@H](C)SCC)no1 ZINC000351887307 379748540 /nfs/dbraw/zinc/74/85/40/379748540.db2.gz FEENPBZGRMXXPC-NSHDSACASA-N 1 1 269.414 3.282 20 30 CGEDMO C=C(C)CC[N@H+](C)Cc1nc([C@H](C)SCC)no1 ZINC000351887307 379748546 /nfs/dbraw/zinc/74/85/46/379748546.db2.gz FEENPBZGRMXXPC-NSHDSACASA-N 1 1 269.414 3.282 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000352311753 379761563 /nfs/dbraw/zinc/76/15/63/379761563.db2.gz YVBJCJQJQYCPRA-FCEWJHQRSA-N 1 1 297.446 3.395 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1C[C@@H](C)CC1(C)C ZINC000380384455 379863755 /nfs/dbraw/zinc/86/37/55/379863755.db2.gz PQMVXAYPYDFLNT-LBPRGKRZSA-N 1 1 258.365 3.187 20 30 CGEDMO COC[C@@]1(C)CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000381367484 379866800 /nfs/dbraw/zinc/86/68/00/379866800.db2.gz LPWHFDZUSDTYKY-HNNXBMFYSA-N 1 1 278.783 3.070 20 30 CGEDMO C=CCCCCCn1cc(C[NH2+]Cc2ccccc2)nn1 ZINC000641045123 379917071 /nfs/dbraw/zinc/91/70/71/379917071.db2.gz LFKLSOXSODFEBX-UHFFFAOYSA-N 1 1 284.407 3.314 20 30 CGEDMO COc1ccccc1CC[N@@H+](C)Cc1cccc(C#N)c1F ZINC000352865139 380011053 /nfs/dbraw/zinc/01/10/53/380011053.db2.gz AODJNJKLKWHANL-UHFFFAOYSA-N 1 1 298.361 3.380 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H]1CCCOC1 ZINC000352956520 380054448 /nfs/dbraw/zinc/05/44/48/380054448.db2.gz VPINHUBKVMDZED-INIZCTEOSA-N 1 1 291.439 3.269 20 30 CGEDMO C[N@H+](CC1CC1)C[C@@H]1CCN(CCCCC(C)(C)C#N)C1 ZINC000409446911 380037113 /nfs/dbraw/zinc/03/71/13/380037113.db2.gz ZJKRRUHRPAEOGR-KRWDZBQOSA-N 1 1 291.483 3.370 20 30 CGEDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(CCCCC(C)(C)C#N)C1 ZINC000409446911 380037119 /nfs/dbraw/zinc/03/71/19/380037119.db2.gz ZJKRRUHRPAEOGR-KRWDZBQOSA-N 1 1 291.483 3.370 20 30 CGEDMO N#CC1(CC[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)CCCCC1 ZINC000411397019 380141049 /nfs/dbraw/zinc/14/10/49/380141049.db2.gz LDVHCOXNBRGLKI-CVEARBPZSA-N 1 1 276.424 3.209 20 30 CGEDMO CC[N@H+]1C[C@H](C)N(CCC2(C#N)CCCCC2)C[C@@H]1C ZINC000411428650 380146939 /nfs/dbraw/zinc/14/69/39/380146939.db2.gz QEQYIIHRYAACMN-HOTGVXAUSA-N 1 1 277.456 3.265 20 30 CGEDMO CCN1C[C@H](C)[N@H+](CCC2(C#N)CCCCC2)C[C@@H]1C ZINC000411428650 380146944 /nfs/dbraw/zinc/14/69/44/380146944.db2.gz QEQYIIHRYAACMN-HOTGVXAUSA-N 1 1 277.456 3.265 20 30 CGEDMO CCN1C[C@H](C)[N@@H+](CCC2(C#N)CCCCC2)C[C@@H]1C ZINC000411428650 380146950 /nfs/dbraw/zinc/14/69/50/380146950.db2.gz QEQYIIHRYAACMN-HOTGVXAUSA-N 1 1 277.456 3.265 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000353059824 380095960 /nfs/dbraw/zinc/09/59/60/380095960.db2.gz ZCEFDGXILZCNKD-HNNXBMFYSA-N 1 1 261.340 3.439 20 30 CGEDMO CCc1nc(N[C@@H](C)c2ccc(C#N)cc2)cc(C)[nH+]1 ZINC000286268674 380186126 /nfs/dbraw/zinc/18/61/26/380186126.db2.gz WHISWKPNQWSIHS-LBPRGKRZSA-N 1 1 266.348 3.392 20 30 CGEDMO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)CC#N ZINC000414163949 380196086 /nfs/dbraw/zinc/19/60/86/380196086.db2.gz JNZXJARGHLVSMA-FUHWJXTLSA-N 1 1 299.462 3.426 20 30 CGEDMO C[NH+](C)[C@@H]1CCC[C@@H](N[C@H]2CCc3ccc(C#N)cc32)C1 ZINC000353268617 380199918 /nfs/dbraw/zinc/19/99/18/380199918.db2.gz REZNSAUSJSRTPL-NUJGCVRESA-N 1 1 283.419 3.008 20 30 CGEDMO CC(C)(C#N)CCCC[N@@H+]1CCOC[C@@H]1CC(F)F ZINC000353283258 380201563 /nfs/dbraw/zinc/20/15/63/380201563.db2.gz OPIYHBQNNSGSPM-LBPRGKRZSA-N 1 1 274.355 3.062 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCOC[C@@H]1CC(F)F ZINC000353283258 380201568 /nfs/dbraw/zinc/20/15/68/380201568.db2.gz OPIYHBQNNSGSPM-LBPRGKRZSA-N 1 1 274.355 3.062 20 30 CGEDMO Cc1nnc([C@@H](C)[NH2+]CCC2(C#N)CCCCC2)s1 ZINC000411532584 380150103 /nfs/dbraw/zinc/15/01/03/380150103.db2.gz YOCVIRQEJOFHER-LLVKDONJSA-N 1 1 278.425 3.361 20 30 CGEDMO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2F)C1(C)C ZINC000353948069 380249557 /nfs/dbraw/zinc/24/95/57/380249557.db2.gz RFFXJMPVJUAWQT-NVXWUHKLSA-N 1 1 290.382 3.333 20 30 CGEDMO Cc1ccc(C[N@@H+](C)CC(C)(C)C#N)c(-c2ccnn2C)c1 ZINC000354038353 380293165 /nfs/dbraw/zinc/29/31/65/380293165.db2.gz KVBRIPPYCROCLU-UHFFFAOYSA-N 1 1 296.418 3.377 20 30 CGEDMO C[N@H+](Cc1ccc(OC(F)F)cc1)CC(C)(C)C#N ZINC000354039062 380295244 /nfs/dbraw/zinc/29/52/44/380295244.db2.gz MAIDNDYNHKWSMH-UHFFFAOYSA-N 1 1 268.307 3.270 20 30 CGEDMO C[N@@H+](Cc1ccc(OC(F)F)cc1)CC(C)(C)C#N ZINC000354039062 380295250 /nfs/dbraw/zinc/29/52/50/380295250.db2.gz MAIDNDYNHKWSMH-UHFFFAOYSA-N 1 1 268.307 3.270 20 30 CGEDMO C=CCOCC[N@H+]1CCc2ccccc2[C@H]1C(C)C ZINC000645091395 380578225 /nfs/dbraw/zinc/57/82/25/380578225.db2.gz FZJUSVXLPHPVHW-QGZVFWFLSA-N 1 1 259.393 3.444 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCSC[C@H]2C2CCC2)c1 ZINC000419359847 380813384 /nfs/dbraw/zinc/81/33/84/380813384.db2.gz KXEWKPTVVOXYAQ-INIZCTEOSA-N 1 1 290.407 3.415 20 30 CGEDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000419371944 380818155 /nfs/dbraw/zinc/81/81/55/380818155.db2.gz LSROQVLTGXQFNC-FRRDWIJNSA-N 1 1 296.374 3.085 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCSC[C@H]2C2CCC2)c1F ZINC000419372119 380820173 /nfs/dbraw/zinc/82/01/73/380820173.db2.gz KIAFOBVGNUUMTA-HNNXBMFYSA-N 1 1 290.407 3.415 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]1COc1cccnc1C ZINC000419400297 380828066 /nfs/dbraw/zinc/82/80/66/380828066.db2.gz LOTOEHVJPJLERH-OAHLLOKOSA-N 1 1 260.381 3.199 20 30 CGEDMO C[C@H]1CC[N@@H+](CCOc2ccc(C#N)cc2)CC12CCC2 ZINC000357024343 380995213 /nfs/dbraw/zinc/99/52/13/380995213.db2.gz MTLFSYUVTDDOBW-HNNXBMFYSA-N 1 1 284.403 3.449 20 30 CGEDMO CSc1cc(C[NH2+]Cc2ccc(C#N)cc2F)ccn1 ZINC000357353543 381123442 /nfs/dbraw/zinc/12/34/42/381123442.db2.gz GYHNLFREOFKOFE-UHFFFAOYSA-N 1 1 287.363 3.104 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)C[C@@](C)(O)C(F)(F)F ZINC000358626202 381318977 /nfs/dbraw/zinc/31/89/77/381318977.db2.gz BAPFMTURGNJYCY-LLVKDONJSA-N 1 1 279.327 3.049 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)C[C@@](C)(O)C(F)(F)F ZINC000358626202 381318980 /nfs/dbraw/zinc/31/89/80/381318980.db2.gz BAPFMTURGNJYCY-LLVKDONJSA-N 1 1 279.327 3.049 20 30 CGEDMO C=C(CC)C[N@H+]1Cc2ccccc2[C@@H](C(=O)OCC)C1 ZINC000358616994 381319555 /nfs/dbraw/zinc/31/95/55/381319555.db2.gz QVDGMFXKFPGQFR-INIZCTEOSA-N 1 1 273.376 3.115 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1[C@H](C)Cc2cc(OC)ccc2[C@@H]1C ZINC000359653526 381360795 /nfs/dbraw/zinc/36/07/95/381360795.db2.gz WNADTLAQSJVPNG-YCPHGPKFSA-N 1 1 289.419 3.330 20 30 CGEDMO C=CC[N@H+](CCC1CC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000360074280 381436230 /nfs/dbraw/zinc/43/62/30/381436230.db2.gz YTCMDXMBULLBIS-CQSZACIVSA-N 1 1 297.406 3.011 20 30 CGEDMO C=C(CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000360210497 381479674 /nfs/dbraw/zinc/47/96/74/381479674.db2.gz YYFSJOIMZHDKGP-GOSISDBHSA-N 1 1 294.398 3.119 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000361272679 381669424 /nfs/dbraw/zinc/66/94/24/381669424.db2.gz PNWWRMDMEPXXJP-HNNXBMFYSA-N 1 1 288.391 3.424 20 30 CGEDMO CC(C)CC[C@H](O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000361321524 381694092 /nfs/dbraw/zinc/69/40/92/381694092.db2.gz OWEARBWDZPSKDP-IBGZPJMESA-N 1 1 298.430 3.444 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H](NC(=O)C(C)C)C1 ZINC000740876514 572465385 /nfs/dbraw/zinc/46/53/85/572465385.db2.gz XJUYUYOXNIIPMA-HNNXBMFYSA-N 1 1 268.445 3.193 20 30 CGEDMO N#Cc1cccc(OCC[N@@H+](CC2CC2)C2CCC2)c1 ZINC000361585912 381820158 /nfs/dbraw/zinc/82/01/58/381820158.db2.gz RECCBKZURJHMPS-UHFFFAOYSA-N 1 1 270.376 3.202 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@H]2CC(C)(C)C)cc1C#N ZINC000361567744 381809319 /nfs/dbraw/zinc/80/93/19/381809319.db2.gz VIUSAOJQAIBCGJ-AWEZNQCLSA-N 1 1 259.397 3.297 20 30 CGEDMO N#Cc1ccc(OCC[N@@H+](CC2CC2)C2CCC2)cc1 ZINC000361578227 381814928 /nfs/dbraw/zinc/81/49/28/381814928.db2.gz NWTHECUZSUMOJR-UHFFFAOYSA-N 1 1 270.376 3.202 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@H]1c1ccccc1 ZINC000362190006 381904895 /nfs/dbraw/zinc/90/48/95/381904895.db2.gz NIWQRZUWIPSKPI-WBVHZDCISA-N 1 1 286.419 3.247 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@](C)(CC)C1 ZINC000362383777 381967289 /nfs/dbraw/zinc/96/72/89/381967289.db2.gz BNOSSPBWUBROAP-RDJZCZTQSA-N 1 1 278.440 3.088 20 30 CGEDMO Cc1cc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)ccc1C#N ZINC000362950587 382159350 /nfs/dbraw/zinc/15/93/50/382159350.db2.gz FFXCTGCPUHESKM-IBGZPJMESA-N 1 1 292.382 3.440 20 30 CGEDMO Cc1cc(C[N@H+]2CCO[C@H](c3ccccc3)C2)ccc1C#N ZINC000362950587 382159358 /nfs/dbraw/zinc/15/93/58/382159358.db2.gz FFXCTGCPUHESKM-IBGZPJMESA-N 1 1 292.382 3.440 20 30 CGEDMO C[N@H+]1Cc2ccccc2[C@@H](Nc2c(C#N)cccc2C#N)C1 ZINC000366784592 382318267 /nfs/dbraw/zinc/31/82/67/382318267.db2.gz ZOXKPABXGZVUCZ-KRWDZBQOSA-N 1 1 288.354 3.029 20 30 CGEDMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2c(C#N)cccc2C#N)C1 ZINC000366784592 382318272 /nfs/dbraw/zinc/31/82/72/382318272.db2.gz ZOXKPABXGZVUCZ-KRWDZBQOSA-N 1 1 288.354 3.029 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)cc1 ZINC000367369182 382344899 /nfs/dbraw/zinc/34/48/99/382344899.db2.gz AGPYGWBUKQWHTB-FQEVSTJZSA-N 1 1 289.378 3.299 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)ccc1C#N ZINC000335322820 208189485 /nfs/dbraw/zinc/18/94/85/208189485.db2.gz UXNVXAUNSLOAQH-ZWKOTPCHSA-N 1 1 284.403 3.115 20 30 CGEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2C#N)C1(C)C ZINC000353778780 220324435 /nfs/dbraw/zinc/32/44/35/220324435.db2.gz FIRSHHCPCVPAMP-CVEARBPZSA-N 1 1 272.392 3.194 20 30 CGEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](C2CC2)C1 ZINC000289358479 197309839 /nfs/dbraw/zinc/30/98/39/197309839.db2.gz HBDNLXROSJMGHB-INIZCTEOSA-N 1 1 297.402 3.009 20 30 CGEDMO CO[C@H](C)C[N@@H+](Cc1ccc(C#N)cc1Cl)C(C)C ZINC000439451751 533083153 /nfs/dbraw/zinc/08/31/53/533083153.db2.gz MKOJVUAAXXVJPA-GFCCVEGCSA-N 1 1 280.799 3.457 20 30 CGEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2)C1 ZINC000281167115 195132702 /nfs/dbraw/zinc/13/27/02/195132702.db2.gz GQWFZAWRDWXOCG-AXUOBQJMSA-N 1 1 298.430 3.320 20 30 CGEDMO Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000281416405 195232591 /nfs/dbraw/zinc/23/25/91/195232591.db2.gz YPVBAGMKKVVQIH-QGZVFWFLSA-N 1 1 280.375 3.019 20 30 CGEDMO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1cccc(C#N)c1 ZINC000281416405 195232592 /nfs/dbraw/zinc/23/25/92/195232592.db2.gz YPVBAGMKKVVQIH-QGZVFWFLSA-N 1 1 280.375 3.019 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CC(C)(C)C[C@H]1C ZINC000412040096 533267845 /nfs/dbraw/zinc/26/78/45/533267845.db2.gz KCWWYEUGJFOPCF-GFCCVEGCSA-N 1 1 258.365 3.187 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccccc1C#N)c1cccc(O)c1 ZINC000161983251 533459525 /nfs/dbraw/zinc/45/95/25/533459525.db2.gz SUAULHZMGSLZMG-GFCCVEGCSA-N 1 1 252.317 3.115 20 30 CGEDMO Cn1cc(C[N@H+]2CCCCC[C@H]2c2ccncc2)cc1C#N ZINC000191157458 130192924 /nfs/dbraw/zinc/19/29/24/130192924.db2.gz SZIFAAMEAUPXCC-SFHVURJKSA-N 1 1 294.402 3.409 20 30 CGEDMO CC[C@@](C)([NH2+]Cc1cc(C#N)n(C)c1)c1nc(C)cs1 ZINC000191196764 130200236 /nfs/dbraw/zinc/20/02/36/130200236.db2.gz HREKUTBDNNQNGF-OAHLLOKOSA-N 1 1 288.420 3.077 20 30 CGEDMO COc1cccc([C@@H]2CCC[N@H+]2Cc2cc(C#N)n(C)c2)c1 ZINC000191205739 130202219 /nfs/dbraw/zinc/20/22/19/130202219.db2.gz LQAFPVYPEQRQLS-SFHVURJKSA-N 1 1 295.386 3.242 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](CNc2ccc(C#N)c(Cl)c2)C1 ZINC000061846218 392128853 /nfs/dbraw/zinc/12/88/53/392128853.db2.gz KARSAKBJRPUTSS-GFCCVEGCSA-N 1 1 277.799 3.354 20 30 CGEDMO N#CCC[N@@H+](Cc1c[nH]nc1-c1ccccc1)CC1CC1 ZINC000093091333 392233760 /nfs/dbraw/zinc/23/37/60/392233760.db2.gz RGPUPCKFSNMLMQ-UHFFFAOYSA-N 1 1 280.375 3.202 20 30 CGEDMO N#CCC[N@H+](Cc1c[nH]nc1-c1ccccc1)CC1CC1 ZINC000093091333 392233764 /nfs/dbraw/zinc/23/37/64/392233764.db2.gz RGPUPCKFSNMLMQ-UHFFFAOYSA-N 1 1 280.375 3.202 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)CC1(COC)CCC1 ZINC000361291228 392274886 /nfs/dbraw/zinc/27/48/86/392274886.db2.gz WGLLSWYOFDSFJG-UHFFFAOYSA-N 1 1 289.419 3.500 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(-c2cnn(C)c2)s1 ZINC000282829833 392296979 /nfs/dbraw/zinc/29/69/79/392296979.db2.gz QGUSPLPBFLTJKW-UHFFFAOYSA-N 1 1 261.394 3.157 20 30 CGEDMO C=C(C)C[N@@H+](CC)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283680681 392307828 /nfs/dbraw/zinc/30/78/28/392307828.db2.gz VZTUXZCYACYVHD-INIZCTEOSA-N 1 1 286.419 3.047 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000285923286 392348902 /nfs/dbraw/zinc/34/89/02/392348902.db2.gz LJBNMYGVRRVEIN-IKGGRYGDSA-N 1 1 257.377 3.067 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)s1)C[C@H]1CCCCO1 ZINC000119567758 392396619 /nfs/dbraw/zinc/39/66/19/392396619.db2.gz QQSAWKJRIGDFRH-CYBMUJFWSA-N 1 1 278.421 3.401 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 ZINC000289465897 392422914 /nfs/dbraw/zinc/42/29/14/392422914.db2.gz YQMIALFSMGTGHF-WMLDXEAASA-N 1 1 299.418 3.335 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000289465897 392422921 /nfs/dbraw/zinc/42/29/21/392422921.db2.gz YQMIALFSMGTGHF-WMLDXEAASA-N 1 1 299.418 3.335 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000289465897 392422930 /nfs/dbraw/zinc/42/29/30/392422930.db2.gz YQMIALFSMGTGHF-WMLDXEAASA-N 1 1 299.418 3.335 20 30 CGEDMO N#CCC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000123932330 392432200 /nfs/dbraw/zinc/43/22/00/392432200.db2.gz AIDNLOBYIWJKJK-IRXDYDNUSA-N 1 1 272.392 3.268 20 30 CGEDMO CC1(C)C[N@H+](CC#Cc2ccc(F)cc2)[C@H]1[C@H]1CCCO1 ZINC000289941234 392438373 /nfs/dbraw/zinc/43/83/73/392438373.db2.gz VRBSAEULUZLNDN-SJORKVTESA-N 1 1 287.378 3.067 20 30 CGEDMO CC1(C)C[N@@H+](CC#Cc2ccc(F)cc2)[C@H]1[C@H]1CCCO1 ZINC000289941234 392438381 /nfs/dbraw/zinc/43/83/81/392438381.db2.gz VRBSAEULUZLNDN-SJORKVTESA-N 1 1 287.378 3.067 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H]2c2c(C)n[nH]c2C)cc1 ZINC000290315174 392445453 /nfs/dbraw/zinc/44/54/53/392445453.db2.gz CNEZSUNFJXGYSL-KRWDZBQOSA-N 1 1 279.387 3.345 20 30 CGEDMO O[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C12CCCC2 ZINC000292710172 392510058 /nfs/dbraw/zinc/51/00/58/392510058.db2.gz LKNAYZWHPXNCNG-INIZCTEOSA-N 1 1 289.806 3.071 20 30 CGEDMO COC[C@@H]1CCCC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000372095094 392583331 /nfs/dbraw/zinc/58/33/31/392583331.db2.gz MVTJKUFZWNVHRQ-OAHLLOKOSA-N 1 1 297.402 3.059 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000372359714 392604100 /nfs/dbraw/zinc/60/41/00/392604100.db2.gz VQKPWVSAQOVYTD-HNNXBMFYSA-N 1 1 264.413 3.207 20 30 CGEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@H+]2CCCCC#N)C1 ZINC000373910614 392664739 /nfs/dbraw/zinc/66/47/39/392664739.db2.gz HABJQNBUFRRHQO-VQHPVUNQSA-N 1 1 278.440 3.332 20 30 CGEDMO Cc1ncsc1CC[N@H+](CCC#N)CC(C)(C)C ZINC000172537581 392620383 /nfs/dbraw/zinc/62/03/83/392620383.db2.gz NLYWXNRPAKQGLA-UHFFFAOYSA-N 1 1 265.426 3.256 20 30 CGEDMO Cc1ncsc1CC[N@@H+](CCC#N)CC(C)(C)C ZINC000172537581 392620387 /nfs/dbraw/zinc/62/03/87/392620387.db2.gz NLYWXNRPAKQGLA-UHFFFAOYSA-N 1 1 265.426 3.256 20 30 CGEDMO C[C@H]1c2ccccc2CC[N@@H+]1CCCSCC#N ZINC000173890064 392630689 /nfs/dbraw/zinc/63/06/89/392630689.db2.gz HBXNABLBAFSTQZ-ZDUSSCGKSA-N 1 1 260.406 3.253 20 30 CGEDMO COc1ccc(OCC[N@@H+](C)CCCC(C)(C)C#N)cc1 ZINC000174810640 392645856 /nfs/dbraw/zinc/64/58/56/392645856.db2.gz MNQZERLLZUJJHD-UHFFFAOYSA-N 1 1 290.407 3.336 20 30 CGEDMO C[N@H+](CCCCC#N)Cc1nc(C(F)(F)F)cs1 ZINC000174972105 392647240 /nfs/dbraw/zinc/64/72/40/392647240.db2.gz ZTRIXPGVUVZBMF-UHFFFAOYSA-N 1 1 277.315 3.288 20 30 CGEDMO C[N@@H+](CCCCC#N)Cc1nc(C(F)(F)F)cs1 ZINC000174972105 392647245 /nfs/dbraw/zinc/64/72/45/392647245.db2.gz ZTRIXPGVUVZBMF-UHFFFAOYSA-N 1 1 277.315 3.288 20 30 CGEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1cccc(Cl)c1Cl ZINC000181248893 392724219 /nfs/dbraw/zinc/72/42/19/392724219.db2.gz ZMMMXEPSKHAFBP-UHFFFAOYSA-N 1 1 287.190 3.440 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)Nc1cccc(Cl)c1Cl ZINC000181248893 392724223 /nfs/dbraw/zinc/72/42/23/392724223.db2.gz ZMMMXEPSKHAFBP-UHFFFAOYSA-N 1 1 287.190 3.440 20 30 CGEDMO C=C(C)C[N@@H+](C)CCCCCn1nnc(-c2ccccc2)n1 ZINC000181254878 392724426 /nfs/dbraw/zinc/72/44/26/392724426.db2.gz OOSDWZXCGHILKK-UHFFFAOYSA-N 1 1 299.422 3.018 20 30 CGEDMO CC[N@H+](Cc1cccc2cnccc21)C[C@H](C)C#N ZINC000183128147 392753170 /nfs/dbraw/zinc/75/31/70/392753170.db2.gz YNAMRSLQCJGSRQ-CYBMUJFWSA-N 1 1 253.349 3.216 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCCN(c3ccccc3F)CC2)C1 ZINC000334325068 392720912 /nfs/dbraw/zinc/72/09/12/392720912.db2.gz FWMGOEFVMONSEN-CABCVRRESA-N 1 1 287.382 3.030 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@H]3CCC=CO3)CC2)cc1 ZINC000375721446 392811115 /nfs/dbraw/zinc/81/11/15/392811115.db2.gz VPBVADGHPIXXDR-GOSISDBHSA-N 1 1 280.371 3.340 20 30 CGEDMO C[C@@]1(c2ccc(F)cc2)CC[N@H+](CC2(C#N)CC2)C1 ZINC000335756252 392814279 /nfs/dbraw/zinc/81/42/79/392814279.db2.gz QYDIAXWNKLLKPR-OAHLLOKOSA-N 1 1 258.340 3.093 20 30 CGEDMO C[C@@]1(c2ccc(F)cc2)CC[N@@H+](CC2(C#N)CC2)C1 ZINC000335756252 392814282 /nfs/dbraw/zinc/81/42/82/392814282.db2.gz QYDIAXWNKLLKPR-OAHLLOKOSA-N 1 1 258.340 3.093 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000336038984 392829767 /nfs/dbraw/zinc/82/97/67/392829767.db2.gz QHLXIKBJHTWFCI-KRWDZBQOSA-N 1 1 270.376 3.058 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000338352073 392911250 /nfs/dbraw/zinc/91/12/50/392911250.db2.gz FHFIOZYXJXWTEA-KBPBESRZSA-N 1 1 292.427 3.060 20 30 CGEDMO N#CCCOCC[N@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000339045111 392944038 /nfs/dbraw/zinc/94/40/38/392944038.db2.gz QVBGDHRRHUWZNL-MRXNPFEDSA-N 1 1 294.345 3.422 20 30 CGEDMO N#CCCOCC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000339045111 392944041 /nfs/dbraw/zinc/94/40/41/392944041.db2.gz QVBGDHRRHUWZNL-MRXNPFEDSA-N 1 1 294.345 3.422 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000739912280 572608024 /nfs/dbraw/zinc/60/80/24/572608024.db2.gz JHGGWYVCYSRBNE-KGLIPLIRSA-N 1 1 282.428 3.330 20 30 CGEDMO CC1CCC([N@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459286039 392940339 /nfs/dbraw/zinc/94/03/39/392940339.db2.gz HMNHRHMVYJVUNN-UHFFFAOYSA-N 1 1 287.363 3.477 20 30 CGEDMO CC1CCC([N@@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459286039 392940345 /nfs/dbraw/zinc/94/03/45/392940345.db2.gz HMNHRHMVYJVUNN-UHFFFAOYSA-N 1 1 287.363 3.477 20 30 CGEDMO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459354259 392941317 /nfs/dbraw/zinc/94/13/17/392941317.db2.gz SJHIJZIDIOACID-TXEJJXNPSA-N 1 1 273.336 3.229 20 30 CGEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459354259 392941326 /nfs/dbraw/zinc/94/13/26/392941326.db2.gz SJHIJZIDIOACID-TXEJJXNPSA-N 1 1 273.336 3.229 20 30 CGEDMO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@H+]1CCOCCC#N ZINC000339062224 392943204 /nfs/dbraw/zinc/94/32/04/392943204.db2.gz ZZSSSURMCBETLX-OLZOCXBDSA-N 1 1 276.355 3.064 20 30 CGEDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000194941274 392946739 /nfs/dbraw/zinc/94/67/39/392946739.db2.gz YDPSLGQJDXZKRO-KRWDZBQOSA-N 1 1 290.382 3.478 20 30 CGEDMO CC(C)[C@H]1CN(CCC2(C#N)CCCCC2)CC[N@H+]1C ZINC000411632958 392984948 /nfs/dbraw/zinc/98/49/48/392984948.db2.gz NCADUOVULOUDPV-MRXNPFEDSA-N 1 1 277.456 3.123 20 30 CGEDMO CC(C)[C@H]1C[N@H+](CCC2(C#N)CCCCC2)CCN1C ZINC000411632958 392984950 /nfs/dbraw/zinc/98/49/50/392984950.db2.gz NCADUOVULOUDPV-MRXNPFEDSA-N 1 1 277.456 3.123 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)CCN1C ZINC000411632958 392984952 /nfs/dbraw/zinc/98/49/52/392984952.db2.gz NCADUOVULOUDPV-MRXNPFEDSA-N 1 1 277.456 3.123 20 30 CGEDMO C[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)C[C@@H](C2CC2)O1 ZINC000411656875 392985003 /nfs/dbraw/zinc/98/50/03/392985003.db2.gz DICLVGUSXYKTDH-HOCLYGCPSA-N 1 1 276.424 3.350 20 30 CGEDMO C[C@@H]1C[C@@H](N2CCCC2)C[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411720844 392986782 /nfs/dbraw/zinc/98/67/82/392986782.db2.gz QVHFQGNVYIGSOJ-IAGOWNOFSA-N 1 1 289.467 3.409 20 30 CGEDMO C[C@@H]1C[C@@H](N2CCCC2)C[N@H+]1CCC1(C#N)CCCCC1 ZINC000411720844 392986785 /nfs/dbraw/zinc/98/67/85/392986785.db2.gz QVHFQGNVYIGSOJ-IAGOWNOFSA-N 1 1 289.467 3.409 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000411720150 392987053 /nfs/dbraw/zinc/98/70/53/392987053.db2.gz GHDQLRBXLHLKRH-AWEZNQCLSA-N 1 1 275.371 3.030 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](N(C)CCC2(C#N)CCCCC2)C1 ZINC000411884842 392990481 /nfs/dbraw/zinc/99/04/81/392990481.db2.gz WVJNWLNBTZQIHF-MRXNPFEDSA-N 1 1 277.456 3.265 20 30 CGEDMO C[N@@H+](CCCOc1cccc(C#N)c1)Cc1cccc(O)c1 ZINC000532422410 392993966 /nfs/dbraw/zinc/99/39/66/392993966.db2.gz YRJTTXMGUNFQPW-UHFFFAOYSA-N 1 1 296.370 3.165 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1 ZINC000342829064 393008917 /nfs/dbraw/zinc/00/89/17/393008917.db2.gz ZNLPKWUTVVEKNZ-ROUUACIJSA-N 1 1 287.403 3.395 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)c1 ZINC000342819100 393009243 /nfs/dbraw/zinc/00/92/43/393009243.db2.gz XRYFNQAVBWIERP-ZWKOTPCHSA-N 1 1 287.403 3.395 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cnc(C(C)(C)C)nc1 ZINC000342848601 393010168 /nfs/dbraw/zinc/01/01/68/393010168.db2.gz DMJKISGFSLNTOD-CQSZACIVSA-N 1 1 259.397 3.315 20 30 CGEDMO CC[N@@H+](CC1(C#N)CC1)[C@H](C)Cc1ccc(OC)cc1 ZINC000343317515 393025892 /nfs/dbraw/zinc/02/58/92/393025892.db2.gz VPPHFVGIMMQOGR-CQSZACIVSA-N 1 1 272.392 3.252 20 30 CGEDMO C=C1CCN(C(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000348817171 393132622 /nfs/dbraw/zinc/13/26/22/393132622.db2.gz KFJMPJZRVYYWCL-OAHLLOKOSA-N 1 1 292.810 3.121 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+](C)CCCn1ccnc1C ZINC000349363030 393146473 /nfs/dbraw/zinc/14/64/73/393146473.db2.gz DPFPFSSVKPODPR-UHFFFAOYSA-N 1 1 299.418 3.278 20 30 CGEDMO CO[C@@]1(C)CCC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000279299472 393332070 /nfs/dbraw/zinc/33/20/70/393332070.db2.gz LZRQSYWGZSNHMX-BBRMVZONSA-N 1 1 258.365 3.120 20 30 CGEDMO C=CCCC[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000648852999 393274328 /nfs/dbraw/zinc/27/43/28/393274328.db2.gz JMVIDGPGLIULKA-KGLIPLIRSA-N 1 1 277.412 3.258 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCc2cccc(C)c2C1 ZINC000429598373 393492504 /nfs/dbraw/zinc/49/25/04/393492504.db2.gz PZHTYBWENUTCOP-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO C[C@@H]1C[C@@H]1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000488346998 393492829 /nfs/dbraw/zinc/49/28/29/393492829.db2.gz AENHGZORTYEFIR-CXAGYDPISA-N 1 1 252.361 3.303 20 30 CGEDMO C=CC[NH+](CC=C)CC(=O)N(Cc1ccc(C)cc1)C1CC1 ZINC000358934219 393529628 /nfs/dbraw/zinc/52/96/28/393529628.db2.gz LSXIIOPHIAEKJV-UHFFFAOYSA-N 1 1 298.430 3.160 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@H]1Cn1c(C)nc2ccccc21 ZINC000360493622 393567908 /nfs/dbraw/zinc/56/79/08/393567908.db2.gz YAUZXKSAPUFDRJ-INIZCTEOSA-N 1 1 281.403 3.223 20 30 CGEDMO CC[C@@H](NCC1([NH3+])CCCCC1)c1ccc(C#N)cc1 ZINC000423174331 393654073 /nfs/dbraw/zinc/65/40/73/393654073.db2.gz AJVGHDFMUUGCSQ-MRXNPFEDSA-N 1 1 271.408 3.261 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000361057396 393659202 /nfs/dbraw/zinc/65/92/02/393659202.db2.gz MDTDTYZQOFHUKD-LSDHHAIUSA-N 1 1 286.419 3.376 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1Cc2ccccc2[C@@H]1C ZINC000361057396 393659205 /nfs/dbraw/zinc/65/92/05/393659205.db2.gz MDTDTYZQOFHUKD-LSDHHAIUSA-N 1 1 286.419 3.376 20 30 CGEDMO COc1ccc(C[N@H+]2CC3(CCC3)C[C@H]2C)cc1C#N ZINC000433024582 393670441 /nfs/dbraw/zinc/67/04/41/393670441.db2.gz DPKAOQLLTITJGL-CYBMUJFWSA-N 1 1 270.376 3.331 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000443662055 393770477 /nfs/dbraw/zinc/77/04/77/393770477.db2.gz ULZOXDRDJXRGCU-KGLIPLIRSA-N 1 1 272.392 3.435 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](CC(C)C)C1 ZINC000501212133 393848723 /nfs/dbraw/zinc/84/87/23/393848723.db2.gz UZFZIRFINBXPBL-HNNXBMFYSA-N 1 1 272.392 3.435 20 30 CGEDMO CC1(C)C[C@@H](O)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000451811503 394047967 /nfs/dbraw/zinc/04/79/67/394047967.db2.gz PARWSLVICKADSY-HNNXBMFYSA-N 1 1 291.822 3.174 20 30 CGEDMO CC1(C)C[C@@H](O)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000451811503 394047969 /nfs/dbraw/zinc/04/79/69/394047969.db2.gz PARWSLVICKADSY-HNNXBMFYSA-N 1 1 291.822 3.174 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2c(C(F)(F)F)cnn2C)C1 ZINC000668494382 543020878 /nfs/dbraw/zinc/02/08/78/543020878.db2.gz YMBMVYHZJASESH-NSHDSACASA-N 1 1 287.329 3.227 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2c(C(F)(F)F)cnn2C)C1 ZINC000668494382 543020882 /nfs/dbraw/zinc/02/08/82/543020882.db2.gz YMBMVYHZJASESH-NSHDSACASA-N 1 1 287.329 3.227 20 30 CGEDMO C=C(C)[C@@H](CO)[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000671715841 543179817 /nfs/dbraw/zinc/17/98/17/543179817.db2.gz QRRQPDVGUUYUMF-ZIAGYGMSSA-N 1 1 251.757 3.024 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000671715841 543179819 /nfs/dbraw/zinc/17/98/19/543179819.db2.gz QRRQPDVGUUYUMF-ZIAGYGMSSA-N 1 1 251.757 3.024 20 30 CGEDMO COCC#CC[N@H+]1C[C@H](C)CC[C@@H]1c1ccccc1 ZINC000671722793 543180762 /nfs/dbraw/zinc/18/07/62/543180762.db2.gz WQOIXOPFERGYRD-NVXWUHKLSA-N 1 1 257.377 3.109 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000649916866 397753457 /nfs/dbraw/zinc/75/34/57/397753457.db2.gz QUBWSNQXVPPMBR-ULQDDVLXSA-N 1 1 255.361 3.004 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCc2ccc(F)cc2[C@@H](C)C1 ZINC000649894430 397745298 /nfs/dbraw/zinc/74/52/98/397745298.db2.gz LIRPNMQAGPVBJU-BBRMVZONSA-N 1 1 277.383 3.114 20 30 CGEDMO FC(F)[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000677729700 543460966 /nfs/dbraw/zinc/46/09/66/543460966.db2.gz BMWVAGLJHLFOKR-GFCCVEGCSA-N 1 1 269.722 3.279 20 30 CGEDMO COCC#CC[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000677817094 543467308 /nfs/dbraw/zinc/46/73/08/543467308.db2.gz HESNITSYXOITBK-OAHLLOKOSA-N 1 1 263.768 3.127 20 30 CGEDMO COCC#CC[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000677817094 543467309 /nfs/dbraw/zinc/46/73/09/543467309.db2.gz HESNITSYXOITBK-OAHLLOKOSA-N 1 1 263.768 3.127 20 30 CGEDMO COCC#CC[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000677817092 543467532 /nfs/dbraw/zinc/46/75/32/543467532.db2.gz HESNITSYXOITBK-HNNXBMFYSA-N 1 1 263.768 3.127 20 30 CGEDMO COCC#CC[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000677817092 543467533 /nfs/dbraw/zinc/46/75/33/543467533.db2.gz HESNITSYXOITBK-HNNXBMFYSA-N 1 1 263.768 3.127 20 30 CGEDMO CCC#C[C@H](C)[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000678049595 543479042 /nfs/dbraw/zinc/47/90/42/543479042.db2.gz MIJSBQYKZHFHDN-RDJZCZTQSA-N 1 1 257.377 3.036 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000678049595 543479044 /nfs/dbraw/zinc/47/90/44/543479044.db2.gz MIJSBQYKZHFHDN-RDJZCZTQSA-N 1 1 257.377 3.036 20 30 CGEDMO CCO[C@@H]1CC[N@H+]([C@H](C)c2ccc(C#N)cc2)C[C@H]1C ZINC000451526755 286216391 /nfs/dbraw/zinc/21/63/91/286216391.db2.gz GXZLHXBJZHNDDU-CKEIUWERSA-N 1 1 272.392 3.366 20 30 CGEDMO CC[C@@H]([NH2+]Cc1cccc(C#N)c1)c1nccs1 ZINC000080261293 165153698 /nfs/dbraw/zinc/15/36/98/165153698.db2.gz KKWAUWWRZWTVFG-CYBMUJFWSA-N 1 1 257.362 3.256 20 30 CGEDMO Cc1ccccc1OCCC[N@H+](C)Cc1ccc(C#N)o1 ZINC000092166431 165281954 /nfs/dbraw/zinc/28/19/54/165281954.db2.gz MMOBCLFSCXPVSF-UHFFFAOYSA-N 1 1 284.359 3.361 20 30 CGEDMO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2cc(C#N)cs2)C1(C)C ZINC000093871902 165338739 /nfs/dbraw/zinc/33/87/39/165338739.db2.gz RVQHWJHXHUITGZ-UKRRQHHQSA-N 1 1 278.421 3.255 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000334408477 287130888 /nfs/dbraw/zinc/13/08/88/287130888.db2.gz JCJWAJJRSAEHNX-WMLDXEAASA-N 1 1 280.375 3.153 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292883215 287131902 /nfs/dbraw/zinc/13/19/02/287131902.db2.gz FEKFJMRABBMYPY-MAUKXSAKSA-N 1 1 283.419 3.037 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000292883215 287131903 /nfs/dbraw/zinc/13/19/03/287131903.db2.gz FEKFJMRABBMYPY-MAUKXSAKSA-N 1 1 283.419 3.037 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000292883215 287131907 /nfs/dbraw/zinc/13/19/07/287131907.db2.gz FEKFJMRABBMYPY-MAUKXSAKSA-N 1 1 283.419 3.037 20 30 CGEDMO CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)N1CCCC1 ZINC000020200703 171064618 /nfs/dbraw/zinc/06/46/18/171064618.db2.gz BRLZNMZILCBDLJ-MAUKXSAKSA-N 1 1 285.435 3.329 20 30 CGEDMO CC(C)C[C@@H](CN[C@H](C)c1cccc(C#N)c1)[NH+](C)C ZINC000037240977 173057526 /nfs/dbraw/zinc/05/75/26/173057526.db2.gz OFMRJSOXUVKTDU-PBHICJAKSA-N 1 1 273.424 3.185 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000077012537 177147545 /nfs/dbraw/zinc/14/75/45/177147545.db2.gz ZHLYAQVBSNKDEL-UHFFFAOYSA-N 1 1 278.355 3.147 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCC[C@H]2C2CCOCC2)cc1 ZINC000343808212 224867550 /nfs/dbraw/zinc/86/75/50/224867550.db2.gz JNGBSAHQIFEXAC-SFHVURJKSA-N 1 1 284.403 3.144 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1cn2cccc(C)c2n1 ZINC000679329501 543620003 /nfs/dbraw/zinc/62/00/03/543620003.db2.gz SODAWHSHBWGQEA-UHFFFAOYSA-N 1 1 295.386 3.466 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cn2cccc(C)c2n1 ZINC000679329501 543620006 /nfs/dbraw/zinc/62/00/06/543620006.db2.gz SODAWHSHBWGQEA-UHFFFAOYSA-N 1 1 295.386 3.466 20 30 CGEDMO CCC#C[C@@H](C)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000680900574 543745394 /nfs/dbraw/zinc/74/53/94/543745394.db2.gz TWGWSTYQIKWRFK-CABCVRRESA-N 1 1 276.449 3.229 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000681779243 543808307 /nfs/dbraw/zinc/80/83/07/543808307.db2.gz BRJAHSVQIMQJIU-HNNXBMFYSA-N 1 1 269.392 3.324 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CCCC2(CCCCC2)CC1 ZINC000682538078 543851747 /nfs/dbraw/zinc/85/17/47/543851747.db2.gz KEBLDRHRFOITFA-OAHLLOKOSA-N 1 1 251.414 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000682778460 543867955 /nfs/dbraw/zinc/86/79/55/543867955.db2.gz DESLEUFLFIZZJP-AWEZNQCLSA-N 1 1 262.372 3.302 20 30 CGEDMO COc1ccc(C[N@H+](C)CC#Cc2ccccc2)cc1OC ZINC000683002846 543887365 /nfs/dbraw/zinc/88/73/65/543887365.db2.gz HERGEEQZFQXREA-UHFFFAOYSA-N 1 1 295.382 3.187 20 30 CGEDMO COc1ccc(C[N@@H+](C)CC#Cc2ccccc2)cc1OC ZINC000683002846 543887369 /nfs/dbraw/zinc/88/73/69/543887369.db2.gz HERGEEQZFQXREA-UHFFFAOYSA-N 1 1 295.382 3.187 20 30 CGEDMO Cc1cccc2nc(C[NH2+][C@H]3CCC[C@H](C#N)C3)[nH]c21 ZINC000336628797 227220521 /nfs/dbraw/zinc/22/05/21/227220521.db2.gz MZTNNEKPDOQSOC-STQMWFEESA-N 1 1 268.364 3.043 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1cc(OC)ns1 ZINC000659857823 419016381 /nfs/dbraw/zinc/01/63/81/419016381.db2.gz SGXHTJXOUZPLTA-UHFFFAOYSA-N 1 1 288.416 3.382 20 30 CGEDMO C=CCCCCCNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC000655247877 419033021 /nfs/dbraw/zinc/03/30/21/419033021.db2.gz XSJBSVNJZURYGK-CQSZACIVSA-N 1 1 277.412 3.259 20 30 CGEDMO C=CCCn1cc(C[N@H+](CC)CC(CC)CC)nn1 ZINC000653493800 419038264 /nfs/dbraw/zinc/03/82/64/419038264.db2.gz FTVFNUYATKXLMT-UHFFFAOYSA-N 1 1 264.417 3.112 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CCC[C@H]2CCC(C)C)nn1 ZINC000653570924 419051644 /nfs/dbraw/zinc/05/16/44/419051644.db2.gz KMKCYLLFOWPIMZ-INIZCTEOSA-N 1 1 276.428 3.255 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@H](C)c2ccc(C)cc2)nn1 ZINC000653599276 419058664 /nfs/dbraw/zinc/05/86/64/419058664.db2.gz FYTXDSBPVODPSJ-CQSZACIVSA-N 1 1 270.380 3.013 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@H](C)c2nnc(C)s2)C1 ZINC000661383353 419255225 /nfs/dbraw/zinc/25/52/25/419255225.db2.gz CKLDGZHACGKCPI-ZYHUDNBSSA-N 1 1 251.399 3.196 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)c2cc(C)[nH]c2C)C1 ZINC000661380396 419255411 /nfs/dbraw/zinc/25/54/11/419255411.db2.gz GMDZIIVBSXYGGO-CQSZACIVSA-N 1 1 260.381 3.102 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2nnc(-c3ccccc3)n2C)C1 ZINC000661382387 419256016 /nfs/dbraw/zinc/25/60/16/419256016.db2.gz VFZMEDHSKUQJGM-HNNXBMFYSA-N 1 1 296.418 3.270 20 30 CGEDMO C[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)[C@@H]1CCO ZINC000661493084 419266714 /nfs/dbraw/zinc/26/67/14/419266714.db2.gz NJFHFZVBYPJVRQ-WMLDXEAASA-N 1 1 291.822 3.174 20 30 CGEDMO CC#CCC[N@@H+]1CCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000661659726 419283351 /nfs/dbraw/zinc/28/33/51/419283351.db2.gz LPYGOUVPQCAGOS-OAHLLOKOSA-N 1 1 261.340 3.385 20 30 CGEDMO C=CCCn1cc(C[NH2+]Cc2cccc3ccsc32)nn1 ZINC000657501478 419295197 /nfs/dbraw/zinc/29/51/97/419295197.db2.gz VXZRCLHXQYKUDV-UHFFFAOYSA-N 1 1 298.415 3.359 20 30 CGEDMO C=CC[N@H+](CC(=O)N1[C@H](C)CCC[C@@H]1C)C(C)(C)C ZINC000661755921 419295369 /nfs/dbraw/zinc/29/53/69/419295369.db2.gz VFMJDXRYKARFNS-OKILXGFUSA-N 1 1 266.429 3.062 20 30 CGEDMO C=CCOc1ccccc1CN[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000657561782 419304467 /nfs/dbraw/zinc/30/44/67/419304467.db2.gz JLRQHEXZKUPYPM-INIZCTEOSA-N 1 1 288.435 3.214 20 30 CGEDMO C=CCOc1ccccc1C[NH2+][C@H]1CCN(C(C)(C)C)C1 ZINC000657561782 419304469 /nfs/dbraw/zinc/30/44/69/419304469.db2.gz JLRQHEXZKUPYPM-INIZCTEOSA-N 1 1 288.435 3.214 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000662082992 419333380 /nfs/dbraw/zinc/33/33/80/419333380.db2.gz ZCNYDKHBMAVTHS-BQJWPVKWSA-N 1 1 290.451 3.347 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)NC1CCCCC1 ZINC000662078845 419333536 /nfs/dbraw/zinc/33/35/36/419333536.db2.gz CQTDSGQYXDBDGV-CWRNSKLLSA-N 1 1 276.424 3.007 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@H]2CCCc3c(C)cccc32)nn1 ZINC000657799380 419358984 /nfs/dbraw/zinc/35/89/84/419358984.db2.gz VWLXVJHDZWCYAZ-SFHVURJKSA-N 1 1 296.418 3.330 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@H](C)c1cnccn1 ZINC000298255973 260149038 /nfs/dbraw/zinc/14/90/38/260149038.db2.gz UUXWDIJOHJGKQN-CQSZACIVSA-N 1 1 283.375 3.234 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)[C@H](C)c1cnccn1 ZINC000298255973 260149039 /nfs/dbraw/zinc/14/90/39/260149039.db2.gz UUXWDIJOHJGKQN-CQSZACIVSA-N 1 1 283.375 3.234 20 30 CGEDMO CC(C)(C#N)CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000087608408 260215645 /nfs/dbraw/zinc/21/56/45/260215645.db2.gz PXSXITYTLUWENR-UHFFFAOYSA-N 1 1 285.435 3.134 20 30 CGEDMO CC(C)CC[N@H+]1Cc2cccc(N[C@@H](C)C#N)c2C1 ZINC000076393643 260293602 /nfs/dbraw/zinc/29/36/02/260293602.db2.gz QGSAFZRDWIRWDV-ZDUSSCGKSA-N 1 1 257.381 3.372 20 30 CGEDMO C=CCCCC[N@H+](C)[C@@H](CO)c1ccc(OC)cc1 ZINC000518084628 260341399 /nfs/dbraw/zinc/34/13/99/260341399.db2.gz QDABWTPHFFUEJH-INIZCTEOSA-N 1 1 263.381 3.017 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@@H+](C)CCC2CC2)cc1 ZINC000092067180 260491635 /nfs/dbraw/zinc/49/16/35/260491635.db2.gz PQBKNIUNEDNHNI-UHFFFAOYSA-N 1 1 271.408 3.268 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000448351518 261124021 /nfs/dbraw/zinc/12/40/21/261124021.db2.gz ATPMKUCPELDFNG-KRWDZBQOSA-N 1 1 289.419 3.498 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000448351518 261124022 /nfs/dbraw/zinc/12/40/22/261124022.db2.gz ATPMKUCPELDFNG-KRWDZBQOSA-N 1 1 289.419 3.498 20 30 CGEDMO N#CCC1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000335860602 261331063 /nfs/dbraw/zinc/33/10/63/261331063.db2.gz LIPSFLWGZXKRRA-UHFFFAOYSA-N 1 1 250.292 3.090 20 30 CGEDMO Cc1ccc(C[N@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000020264500 262244682 /nfs/dbraw/zinc/24/46/82/262244682.db2.gz QWFHVGCGUPTIQD-UHFFFAOYSA-N 1 1 250.345 3.499 20 30 CGEDMO C=CCN1CC[C@@H]([N@H+](C2CC2)C2CCC(CC)CC2)C1=O ZINC000337146844 262426943 /nfs/dbraw/zinc/42/69/43/262426943.db2.gz YRIXYGCAPUFSOI-VMBOVVBDSA-N 1 1 290.451 3.207 20 30 CGEDMO CC1(C#N)CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000272472045 263005064 /nfs/dbraw/zinc/00/50/64/263005064.db2.gz ADKMQZOFJQVGJF-UHFFFAOYSA-N 1 1 272.779 3.317 20 30 CGEDMO C[C@H](C#N)Oc1ccccc1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000272626446 263007876 /nfs/dbraw/zinc/00/78/76/263007876.db2.gz ZKYXZEFUXHPWAS-QLFBSQMISA-N 1 1 285.391 3.016 20 30 CGEDMO C[C@@H](c1ccccn1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000282143065 263074742 /nfs/dbraw/zinc/07/47/42/263074742.db2.gz ZRFKAINNUJZOGR-HNNXBMFYSA-N 1 1 287.407 3.175 20 30 CGEDMO N#CCCCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000285921363 263096509 /nfs/dbraw/zinc/09/65/09/263096509.db2.gz LHJNHAHPWNKKBD-FGTMMUONSA-N 1 1 284.403 3.185 20 30 CGEDMO C[N@@H+](CCc1nc(-c2ccccc2)no1)CCC(C)(C)C#N ZINC000286205020 263097725 /nfs/dbraw/zinc/09/77/25/263097725.db2.gz YBUSCQVEWZZENW-UHFFFAOYSA-N 1 1 298.390 3.151 20 30 CGEDMO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]3CCCC#N)nc2c1 ZINC000289306213 263108806 /nfs/dbraw/zinc/10/88/06/263108806.db2.gz ISVIWFFNCPWQAP-OAHLLOKOSA-N 1 1 268.364 3.312 20 30 CGEDMO Cc1ccc2[nH]c([C@H]3CCC[N@H+]3CCCC#N)nc2c1 ZINC000289306213 263108807 /nfs/dbraw/zinc/10/88/07/263108807.db2.gz ISVIWFFNCPWQAP-OAHLLOKOSA-N 1 1 268.364 3.312 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000292718054 263134195 /nfs/dbraw/zinc/13/41/95/263134195.db2.gz LXFCYBQRXVOMTQ-QGZVFWFLSA-N 1 1 298.430 3.367 20 30 CGEDMO CC(C)C[N@@H+](CCOCCC#N)Cc1ccccc1F ZINC000293039318 263137240 /nfs/dbraw/zinc/13/72/40/263137240.db2.gz JORPSMHOAPDYHE-UHFFFAOYSA-N 1 1 278.371 3.214 20 30 CGEDMO C[C@H]1SCC[N@@H+](CCOCCC#N)[C@@H]1c1ccccc1 ZINC000293027248 263137243 /nfs/dbraw/zinc/13/72/43/263137243.db2.gz ITTBWIIVTJLIGV-ZBFHGGJFSA-N 1 1 290.432 3.095 20 30 CGEDMO N#CCCOCC[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000293067945 263137784 /nfs/dbraw/zinc/13/77/84/263137784.db2.gz LQCYJDZTZFNEKO-AWEZNQCLSA-N 1 1 262.353 3.127 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](c3ccccc3F)C2)C1 ZINC000293133401 263138061 /nfs/dbraw/zinc/13/80/61/263138061.db2.gz PVLJQYAEVBAYMY-MCIONIFRSA-N 1 1 258.340 3.307 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)C1 ZINC000293147532 263138302 /nfs/dbraw/zinc/13/83/02/263138302.db2.gz UBRJTOALGSQGPX-IVMMDQJWSA-N 1 1 290.794 3.485 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](c3cccc(F)c3)C2)C1 ZINC000293229363 263138640 /nfs/dbraw/zinc/13/86/40/263138640.db2.gz VWOVECYTQBBSMK-IVMMDQJWSA-N 1 1 258.340 3.307 20 30 CGEDMO C[N@@H+](Cc1ccccc1N1CCCC1)[C@H]1CC[C@H](C#N)C1 ZINC000293355150 263139409 /nfs/dbraw/zinc/13/94/09/263139409.db2.gz DVQKUPMPJHUIGW-RDJZCZTQSA-N 1 1 283.419 3.411 20 30 CGEDMO C=CCC1(C[NH2+][C@@H]2CCN(C)C[C@@H]2C)CCCC1 ZINC000453385603 263257729 /nfs/dbraw/zinc/25/77/29/263257729.db2.gz UVBJISRDNHXCME-LSDHHAIUSA-N 1 1 250.430 3.053 20 30 CGEDMO C=CC[C@H](CO)CNc1cc(C)[nH+]c2c(OC)cccc12 ZINC000340905326 263308838 /nfs/dbraw/zinc/30/88/38/263308838.db2.gz YLHBQBRAXBJIKU-ZDUSSCGKSA-N 1 1 286.375 3.148 20 30 CGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1CC ZINC000341170299 263324863 /nfs/dbraw/zinc/32/48/63/263324863.db2.gz OXENNNHKNNTJBJ-IRXDYDNUSA-N 1 1 289.419 3.029 20 30 CGEDMO C=CC[C@@H](CC)[NH2+]Cc1cn(-c2ccncc2)nc1C ZINC000341453722 263336139 /nfs/dbraw/zinc/33/61/39/263336139.db2.gz GFYLZVBWIKHEFQ-OAHLLOKOSA-N 1 1 270.380 3.020 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccc(C(F)(F)F)cn1 ZINC000341896217 263366375 /nfs/dbraw/zinc/36/63/75/263366375.db2.gz YMSQJAHXJXOOOW-UHFFFAOYSA-N 1 1 258.287 3.498 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC[C@@H](C(=O)OC)c1ccccc1 ZINC000425385696 264220848 /nfs/dbraw/zinc/22/08/48/264220848.db2.gz QFMJBWLGVJKAJY-MRXNPFEDSA-N 1 1 275.392 3.231 20 30 CGEDMO C=CCCC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000074445883 264305060 /nfs/dbraw/zinc/30/50/60/264305060.db2.gz HYXSJSRRALTOTO-KRWDZBQOSA-N 1 1 286.419 3.076 20 30 CGEDMO C=CCCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000076734015 264342677 /nfs/dbraw/zinc/34/26/77/264342677.db2.gz YBMVJLGEDQZGPT-ZDUSSCGKSA-N 1 1 288.391 3.114 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000076734015 264342678 /nfs/dbraw/zinc/34/26/78/264342678.db2.gz YBMVJLGEDQZGPT-ZDUSSCGKSA-N 1 1 288.391 3.114 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1 ZINC000285224678 264551821 /nfs/dbraw/zinc/55/18/21/264551821.db2.gz RXGPWBXEWPSXLH-RTBURBONSA-N 1 1 299.414 3.232 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc2c(c1)nnn2C ZINC000349543024 265197220 /nfs/dbraw/zinc/19/72/20/265197220.db2.gz PJCQUSWPUCOQGK-UHFFFAOYSA-N 1 1 298.415 3.218 20 30 CGEDMO CCC[C@]1(COC)CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000194922777 266083016 /nfs/dbraw/zinc/08/30/16/266083016.db2.gz VUQAHUWHIZJQCZ-QGZVFWFLSA-N 1 1 272.392 3.339 20 30 CGEDMO C=CCOc1cccc(C[N@H+](CCO)[C@H]2CC[C@@H](C)C2)c1 ZINC000356363314 266101315 /nfs/dbraw/zinc/10/13/15/266101315.db2.gz LLAPELJJTAAJIV-WBVHZDCISA-N 1 1 289.419 3.234 20 30 CGEDMO C=CC[N@H+](Cc1ccc2oc(C(=O)OC)cc2c1)C1CC1 ZINC000357555015 266324072 /nfs/dbraw/zinc/32/40/72/266324072.db2.gz RSSZUHFIZGGWDI-UHFFFAOYSA-N 1 1 285.343 3.370 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000356426532 266395456 /nfs/dbraw/zinc/39/54/56/266395456.db2.gz YJNVGXOFZKJISF-GFCCVEGCSA-N 1 1 281.281 3.359 20 30 CGEDMO C[C@@H]1C[C@@H](C)CN(C(C)(C)C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000237546972 267075752 /nfs/dbraw/zinc/07/57/52/267075752.db2.gz OEGBDBZYCKBFQJ-HZPDHXFCSA-N 1 1 299.462 3.404 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H](CC)O[C@]2(CCOC2)C1 ZINC000369534153 267249133 /nfs/dbraw/zinc/24/91/33/267249133.db2.gz YIMHBZNHNIQYDW-JKSUJKDBSA-N 1 1 267.413 3.003 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](N2CCCC2)C[C@H]1C ZINC000370579394 267329908 /nfs/dbraw/zinc/32/99/08/267329908.db2.gz JWSKQNXLTKZDCJ-CVEARBPZSA-N 1 1 250.430 3.291 20 30 CGEDMO C=CCCCCCN1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000370579394 267329911 /nfs/dbraw/zinc/32/99/11/267329911.db2.gz JWSKQNXLTKZDCJ-CVEARBPZSA-N 1 1 250.430 3.291 20 30 CGEDMO N#CCCCC[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000120163016 267388553 /nfs/dbraw/zinc/38/85/53/267388553.db2.gz KIGACLJMUPNIEP-OAHLLOKOSA-N 1 1 278.783 3.487 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2cc(C#N)ccn2)C1 ZINC000376176945 274286382 /nfs/dbraw/zinc/28/63/82/274286382.db2.gz ZCWDCLILDOZHIC-WBVHZDCISA-N 1 1 298.434 3.044 20 30 CGEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1ccc(F)cc1C#N ZINC000361023276 274296292 /nfs/dbraw/zinc/29/62/92/274296292.db2.gz UHXTYCZYCYNGGV-BETUJISGSA-N 1 1 275.371 3.372 20 30 CGEDMO CC1(C)C[C@H](O)CC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000334636992 276149313 /nfs/dbraw/zinc/14/93/13/276149313.db2.gz HXYIHSNLOCLPQS-OAHLLOKOSA-N 1 1 278.440 3.333 20 30 CGEDMO CCC[C@@H]1C[N@@H+]([C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000131935137 276276241 /nfs/dbraw/zinc/27/62/41/276276241.db2.gz VTVABUSQZMTJAR-XJKSGUPXSA-N 1 1 258.365 3.120 20 30 CGEDMO CCC[C@@H]1C[N@H+]([C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000131935137 276276242 /nfs/dbraw/zinc/27/62/42/276276242.db2.gz VTVABUSQZMTJAR-XJKSGUPXSA-N 1 1 258.365 3.120 20 30 CGEDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNc1cccc(F)c1C#N ZINC000447809616 277040714 /nfs/dbraw/zinc/04/07/14/277040714.db2.gz AYZIFFPJHUTYBC-HNNXBMFYSA-N 1 1 275.371 3.230 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000336460950 277121499 /nfs/dbraw/zinc/12/14/99/277121499.db2.gz RBSQTSAZWRPYDQ-IAGOWNOFSA-N 1 1 284.403 3.241 20 30 CGEDMO C=CCCCC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000262001367 277827738 /nfs/dbraw/zinc/82/77/38/277827738.db2.gz PYSHWPXZBQXMCT-OAHLLOKOSA-N 1 1 292.810 3.169 20 30 CGEDMO C[C@@H](CCN[C@@H]1CCc2ccc(C#N)cc21)[NH+]1CCCCC1 ZINC000353675895 278233657 /nfs/dbraw/zinc/23/36/57/278233657.db2.gz INIZZYUASBCRPS-HNAYVOBHSA-N 1 1 297.446 3.400 20 30 CGEDMO C[C@@H]([NH2+][C@@H]1COc2ccc(F)cc21)c1ccc(C#N)cc1 ZINC000335973741 278377185 /nfs/dbraw/zinc/37/71/85/278377185.db2.gz IAOYXJOXUIXSSY-BDJLRTHQSA-N 1 1 282.318 3.482 20 30 CGEDMO CC[N@H+](CCO[C@@H]1CCCC[C@H]1C)C[C@H](C)C#N ZINC000353287834 279211024 /nfs/dbraw/zinc/21/10/24/279211024.db2.gz SLWQMNCGXSSMIM-RBSFLKMASA-N 1 1 252.402 3.063 20 30 CGEDMO CC[N@@H+](CCO[C@@H]1CCCC[C@H]1C)C[C@H](C)C#N ZINC000353287834 279211025 /nfs/dbraw/zinc/21/10/25/279211025.db2.gz SLWQMNCGXSSMIM-RBSFLKMASA-N 1 1 252.402 3.063 20 30 CGEDMO CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)N1CCCC1 ZINC000020200705 280253956 /nfs/dbraw/zinc/25/39/56/280253956.db2.gz BRLZNMZILCBDLJ-YJBOKZPZSA-N 1 1 285.435 3.329 20 30 CGEDMO CC[C@]1(C)C[N@H+]([C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000135690424 281323116 /nfs/dbraw/zinc/32/31/16/281323116.db2.gz CUJPONNHAJSFOM-XJKSGUPXSA-N 1 1 258.365 3.120 20 30 CGEDMO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]Cc1ccc(C#N)cn1 ZINC000554066250 289254321 /nfs/dbraw/zinc/25/43/21/289254321.db2.gz BWXDKABIATYGSK-GFCCVEGCSA-N 1 1 297.406 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000351992294 526443951 /nfs/dbraw/zinc/44/39/51/526443951.db2.gz BZRWCEYCUYLSRD-AWEZNQCLSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]Cc1conc1CC ZINC000339249017 328003437 /nfs/dbraw/zinc/00/34/37/328003437.db2.gz KKMKYBYQEOCXJR-UHFFFAOYSA-N 1 1 272.348 3.092 20 30 CGEDMO CSc1cc(Br)ccc1C[NH2+]C[C@H](C)C#N ZINC000309922417 328061264 /nfs/dbraw/zinc/06/12/64/328061264.db2.gz SWKBQRJSWCKREZ-SECBINFHSA-N 1 1 299.237 3.420 20 30 CGEDMO CC[C@@H](C)[N@H+](CCC1(C#N)CCCCC1)CC(=O)OC ZINC000411662509 328097993 /nfs/dbraw/zinc/09/79/93/328097993.db2.gz BJQBXFKFYPZLFN-CQSZACIVSA-N 1 1 280.412 3.124 20 30 CGEDMO CC[C@@H](C)[N@@H+](CCC1(C#N)CCCCC1)CC(=O)OC ZINC000411662509 328097994 /nfs/dbraw/zinc/09/79/94/328097994.db2.gz BJQBXFKFYPZLFN-CQSZACIVSA-N 1 1 280.412 3.124 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000264568759 328160508 /nfs/dbraw/zinc/16/05/08/328160508.db2.gz QPKOLKQUSNANHD-KRWDZBQOSA-N 1 1 281.359 3.254 20 30 CGEDMO CC[N@H+](CCC#N)CCC(=O)Nc1ccc(Cl)cc1F ZINC000266943329 328170901 /nfs/dbraw/zinc/17/09/01/328170901.db2.gz RNMRWMPWOKEKOX-UHFFFAOYSA-N 1 1 297.761 3.043 20 30 CGEDMO CC[N@@H+](CCC#N)CCC(=O)Nc1ccc(Cl)cc1F ZINC000266943329 328170902 /nfs/dbraw/zinc/17/09/02/328170902.db2.gz RNMRWMPWOKEKOX-UHFFFAOYSA-N 1 1 297.761 3.043 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)Cc1ccc(C)nn1 ZINC000414450360 328177518 /nfs/dbraw/zinc/17/75/18/328177518.db2.gz XCMFGABCPQYTIY-UHFFFAOYSA-N 1 1 267.376 3.363 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1ccc(C)nn1 ZINC000414450360 328177520 /nfs/dbraw/zinc/17/75/20/328177520.db2.gz XCMFGABCPQYTIY-UHFFFAOYSA-N 1 1 267.376 3.363 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000289542862 328255216 /nfs/dbraw/zinc/25/52/16/328255216.db2.gz FTFYMPLXPIMESY-PCAWENJQSA-N 1 1 250.292 3.260 20 30 CGEDMO CCOc1cc(C)ccc1C[NH2+]Cc1ccc(C#N)o1 ZINC000153396490 321718731 /nfs/dbraw/zinc/71/87/31/321718731.db2.gz XQGFRFVUBQCRHD-UHFFFAOYSA-N 1 1 270.332 3.148 20 30 CGEDMO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](C3CCCC3)C2)cc1 ZINC000570074247 322264332 /nfs/dbraw/zinc/26/43/32/322264332.db2.gz GGLDNQGYLMHORT-MRXNPFEDSA-N 1 1 297.402 3.009 20 30 CGEDMO Cc1cc(C[N@H+]2CC[C@H](CC3CC3)C2)ccc1C#N ZINC000571704799 322305604 /nfs/dbraw/zinc/30/56/04/322305604.db2.gz AWYKVFWQMWTCOO-MRXNPFEDSA-N 1 1 254.377 3.489 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000573492997 322391247 /nfs/dbraw/zinc/39/12/47/322391247.db2.gz ASIGILUCTUDNOD-ZFWWWQNUSA-N 1 1 285.347 3.231 20 30 CGEDMO C=C(Cl)C[NH2+][C@H]1CCc2cc(F)c(OC)cc21 ZINC000281481022 328501789 /nfs/dbraw/zinc/50/17/89/328501789.db2.gz FUHSGKXGHNCPQE-LBPRGKRZSA-N 1 1 255.720 3.164 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1cccc(F)c1F ZINC000181970407 328506107 /nfs/dbraw/zinc/50/61/07/328506107.db2.gz YXROGGDJOHHGNA-GFCCVEGCSA-N 1 1 296.361 3.040 20 30 CGEDMO C=C(CC)C[N@@H+](C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451337007 331024822 /nfs/dbraw/zinc/02/48/22/331024822.db2.gz WPMPNOCLGWKXGI-AWEZNQCLSA-N 1 1 253.773 3.271 20 30 CGEDMO C[N@@H+](CCCCC#N)Cc1ccc(Br)o1 ZINC000102397275 327226785 /nfs/dbraw/zinc/22/67/85/327226785.db2.gz GGQBJCNTWQRXBJ-UHFFFAOYSA-N 1 1 271.158 3.168 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000559400952 327243528 /nfs/dbraw/zinc/24/35/28/327243528.db2.gz TWQRUXPPLNJNTQ-GOEBONIOSA-N 1 1 295.810 3.120 20 30 CGEDMO C[C@H]1C[NH+](Cc2ccccc2C(C)(C)C#N)C[C@H](C)O1 ZINC000135093018 327503435 /nfs/dbraw/zinc/50/34/35/327503435.db2.gz KPUYDVCJBZVXEP-KBPBESRZSA-N 1 1 272.392 3.097 20 30 CGEDMO C=C[C@@H](C)NC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000362705646 328929485 /nfs/dbraw/zinc/92/94/85/328929485.db2.gz XLSGFCDYFMVBMY-OLZOCXBDSA-N 1 1 298.390 3.115 20 30 CGEDMO C[C@]1(c2ccccc2)CC[N@@H+](CCCSCC#N)C1 ZINC000378126059 329040825 /nfs/dbraw/zinc/04/08/25/329040825.db2.gz LIWJMVRBCYDEJH-INIZCTEOSA-N 1 1 274.433 3.297 20 30 CGEDMO C=CCCCC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000175288337 329166432 /nfs/dbraw/zinc/16/64/32/329166432.db2.gz OILLZXMGKSGWCR-UHFFFAOYSA-N 1 1 288.435 3.499 20 30 CGEDMO C=CCCCC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000176338823 329174352 /nfs/dbraw/zinc/17/43/52/329174352.db2.gz ZMWBMBSEFBXLSR-MRXNPFEDSA-N 1 1 288.435 3.370 20 30 CGEDMO CCC[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177081259 329180253 /nfs/dbraw/zinc/18/02/53/329180253.db2.gz INMRSXXHLXZNKO-UHFFFAOYSA-N 1 1 255.283 3.399 20 30 CGEDMO C=CCC[N@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000178398629 329199452 /nfs/dbraw/zinc/19/94/52/329199452.db2.gz GYZJBPICSJLNTG-QGZVFWFLSA-N 1 1 259.393 3.325 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000181263185 329228275 /nfs/dbraw/zinc/22/82/75/329228275.db2.gz XXGZKSCEYDHAPA-NSHDSACASA-N 1 1 291.782 3.047 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000181263185 329228277 /nfs/dbraw/zinc/22/82/77/329228277.db2.gz XXGZKSCEYDHAPA-NSHDSACASA-N 1 1 291.782 3.047 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)Nc1nc2c(s1)C[N@H+](CC)CC2 ZINC000184901870 329265457 /nfs/dbraw/zinc/26/54/57/329265457.db2.gz MVGFTYSPGYNSIY-NSHDSACASA-N 1 1 293.436 3.062 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)Nc1nc2c(s1)C[N@@H+](CC)CC2 ZINC000184901870 329265458 /nfs/dbraw/zinc/26/54/58/329265458.db2.gz MVGFTYSPGYNSIY-NSHDSACASA-N 1 1 293.436 3.062 20 30 CGEDMO C[C@@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1cn(-c2ccccc2)nn1 ZINC000185855355 329333537 /nfs/dbraw/zinc/33/35/37/329333537.db2.gz UFHOWUHYMZFMBI-ILXRZTDVSA-N 1 1 295.390 3.000 20 30 CGEDMO CC(C)[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1nc(C2CC2)no1 ZINC000185885073 329334316 /nfs/dbraw/zinc/33/43/16/329334316.db2.gz JACZJKSKCKBFCD-YUTCNCBUSA-N 1 1 288.395 3.316 20 30 CGEDMO C=CCN(CC=C)C(=O)C[NH2+][C@H](C)c1ccccc1Cl ZINC000071080490 329856457 /nfs/dbraw/zinc/85/64/57/329856457.db2.gz PIFQEGPJYMJPQZ-CYBMUJFWSA-N 1 1 292.810 3.191 20 30 CGEDMO CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)C#N)[C@H]1Sc1ccccc1 ZINC000571859051 329926586 /nfs/dbraw/zinc/92/65/86/329926586.db2.gz SJZPTQGOJQMYDT-SLBVQIDZSA-N 1 1 290.432 3.074 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000268546009 330066110 /nfs/dbraw/zinc/06/61/10/330066110.db2.gz MBLBSSLNHXYOKX-KGLIPLIRSA-N 1 1 251.395 3.212 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)C[C@@H]1CCCC[C@H]1O ZINC000572443842 330085490 /nfs/dbraw/zinc/08/54/90/330085490.db2.gz ICXXAEUHIFGFCB-DLBZAZTESA-N 1 1 259.393 3.226 20 30 CGEDMO C=CCn1cc(C[NH2+][C@@H](CC)c2ccc(C)cc2)nn1 ZINC000424291793 330335020 /nfs/dbraw/zinc/33/50/20/330335020.db2.gz FMSCGWHKLLMMMT-INIZCTEOSA-N 1 1 270.380 3.013 20 30 CGEDMO C=CCn1cc(C[NH2+][C@H]2C[C@H](C(C)C)c3ccccc32)nn1 ZINC000424297891 330336500 /nfs/dbraw/zinc/33/65/00/330336500.db2.gz RHGISKKBVSHJCD-MSOLQXFVSA-N 1 1 296.418 3.438 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000537031189 330387893 /nfs/dbraw/zinc/38/78/93/330387893.db2.gz BOFGWBXRVRSWCD-HOCLYGCPSA-N 1 1 251.414 3.480 20 30 CGEDMO C=CC[C@@H]1[N@H+](Cc2cn(CC3CC3)nn2)CCCC1(C)C ZINC000450873312 331004080 /nfs/dbraw/zinc/00/40/80/331004080.db2.gz SVDZGIJJJIQSMV-INIZCTEOSA-N 1 1 288.439 3.255 20 30 CGEDMO Clc1ccc(C#CCn2c[nH+]c3c2CCCC3)cc1 ZINC000450979006 331009761 /nfs/dbraw/zinc/00/97/61/331009761.db2.gz NTGVUKLKDFUSKY-UHFFFAOYSA-N 1 1 270.763 3.467 20 30 CGEDMO C[C@@H]1Cc2[nH+]cn(CC#Cc3ccc(F)cc3)c2C[C@H]1C ZINC000451003935 331011256 /nfs/dbraw/zinc/01/12/56/331011256.db2.gz VJXJCRWYWDEMDP-ZIAGYGMSSA-N 1 1 282.362 3.445 20 30 CGEDMO N#CC1(C[NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)CC1 ZINC000451313372 331024057 /nfs/dbraw/zinc/02/40/57/331024057.db2.gz WABNYCRGDCWGJV-CYBMUJFWSA-N 1 1 298.308 3.022 20 30 CGEDMO CC#CCC[N@H+](C)[C@H]1C[C@H](c2cccc(OC)c2)C1 ZINC000452022390 331050754 /nfs/dbraw/zinc/05/07/54/331050754.db2.gz VBQCSSZQNMJBMP-WKILWMFISA-N 1 1 257.377 3.286 20 30 CGEDMO COC[C@H]1CCCC[N@@H+]1CC#Cc1ccccc1Cl ZINC000452035989 331051328 /nfs/dbraw/zinc/05/13/28/331051328.db2.gz IBJSNKWZRYAEQC-OAHLLOKOSA-N 1 1 277.795 3.192 20 30 CGEDMO COC[C@H]1CCCC[N@H+]1CC#Cc1ccccc1Cl ZINC000452035989 331051329 /nfs/dbraw/zinc/05/13/29/331051329.db2.gz IBJSNKWZRYAEQC-OAHLLOKOSA-N 1 1 277.795 3.192 20 30 CGEDMO N#CCC[C@@H]([NH2+]Cc1cnc(C2CC2)nc1)c1ccccc1 ZINC000459455736 331282121 /nfs/dbraw/zinc/28/21/21/331282121.db2.gz VONMIPBLODNQQI-QGZVFWFLSA-N 1 1 292.386 3.489 20 30 CGEDMO FC(F)(F)c1ccc(C#CC[N@@H+]2C[C@@H]3C[C@H]2CS3)cc1 ZINC000459795697 331301406 /nfs/dbraw/zinc/30/14/06/331301406.db2.gz OPAPAMGHESOAID-KBPBESRZSA-N 1 1 297.345 3.247 20 30 CGEDMO FC(F)(F)c1ccc(C#CC[N@H+]2C[C@@H]3C[C@H]2CS3)cc1 ZINC000459795697 331301407 /nfs/dbraw/zinc/30/14/07/331301407.db2.gz OPAPAMGHESOAID-KBPBESRZSA-N 1 1 297.345 3.247 20 30 CGEDMO C=CCC[C@H](CC)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000462878389 331333756 /nfs/dbraw/zinc/33/37/56/331333756.db2.gz RSCKGOOUQDHHOE-WMZOPIPTSA-N 1 1 288.435 3.410 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(C)cc1C ZINC000489450394 332053501 /nfs/dbraw/zinc/05/35/01/332053501.db2.gz QCOPFTNSYOCYMR-DLBZAZTESA-N 1 1 289.419 3.084 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)N1c2ccccc2C[C@@H]1C ZINC000489481972 332055279 /nfs/dbraw/zinc/05/52/79/332055279.db2.gz TVRRMFZKQMOIQP-HOCLYGCPSA-N 1 1 284.403 3.005 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)N1c2ccccc2C[C@@H]1C ZINC000489481972 332055281 /nfs/dbraw/zinc/05/52/81/332055281.db2.gz TVRRMFZKQMOIQP-HOCLYGCPSA-N 1 1 284.403 3.005 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc2c(c1)CCC2 ZINC000489479281 332055443 /nfs/dbraw/zinc/05/54/43/332055443.db2.gz ONVQCNUMBCXZJL-QGZVFWFLSA-N 1 1 284.403 3.154 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc2c(c1)CCC2 ZINC000489479281 332055445 /nfs/dbraw/zinc/05/54/45/332055445.db2.gz ONVQCNUMBCXZJL-QGZVFWFLSA-N 1 1 284.403 3.154 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1c(C)cccc1C ZINC000489488074 332055617 /nfs/dbraw/zinc/05/56/17/332055617.db2.gz VYZAJRSTVNVRQX-SJORKVTESA-N 1 1 289.419 3.084 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1cc(C)ccc1C ZINC000489489990 332056129 /nfs/dbraw/zinc/05/61/29/332056129.db2.gz BWOXKALOORQCOZ-DLBZAZTESA-N 1 1 289.419 3.084 20 30 CGEDMO C#CC[N@@H+](C[C@@H]1CCCOC1)[C@H]1CCc2ccccc21 ZINC000490830427 332118508 /nfs/dbraw/zinc/11/85/08/332118508.db2.gz KJZRTYICBZFPOC-YJBOKZPZSA-N 1 1 269.388 3.036 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000491133956 332154940 /nfs/dbraw/zinc/15/49/40/332154940.db2.gz USAFDMLLZZYZAF-HZPDHXFCSA-N 1 1 286.419 3.150 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000491133954 332154973 /nfs/dbraw/zinc/15/49/73/332154973.db2.gz USAFDMLLZZYZAF-CVEARBPZSA-N 1 1 286.419 3.150 20 30 CGEDMO C#C[C@H](C)N(C)C(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000491452795 332214318 /nfs/dbraw/zinc/21/43/18/332214318.db2.gz NHRGRRZUABKREO-HNNXBMFYSA-N 1 1 286.419 3.011 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)C[C@H]2C[C@@H]2c2ccccc2)n1 ZINC000491514611 332226699 /nfs/dbraw/zinc/22/66/99/332226699.db2.gz JKCOGVHPTUIOSL-IEBWSBKVSA-N 1 1 293.414 3.142 20 30 CGEDMO C#C[C@H](CC)[NH2+]Cc1c(F)ccc(C2OCCO2)c1Cl ZINC000491544522 332234203 /nfs/dbraw/zinc/23/42/03/332234203.db2.gz MHFWTYGUFOTFAN-SNVBAGLBSA-N 1 1 297.757 3.026 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(OCc2ccccn2)cc1 ZINC000491638560 332259044 /nfs/dbraw/zinc/25/90/44/332259044.db2.gz VVXRMUPEWVSOBM-HNNXBMFYSA-N 1 1 280.371 3.114 20 30 CGEDMO C#Cc1ccc(C[NH2+][C@@H](C#C)c2ccc(F)cc2)cc1 ZINC000491657673 332269012 /nfs/dbraw/zinc/26/90/12/332269012.db2.gz KKZXXGUPFVVIIS-SFHVURJKSA-N 1 1 263.315 3.271 20 30 CGEDMO CC(C)(C)C[N@@H+](CCCO)CCCC(C)(C)C#N ZINC000174852860 333009098 /nfs/dbraw/zinc/00/90/98/333009098.db2.gz PDUCWLLNAUIIQP-UHFFFAOYSA-N 1 1 254.418 3.047 20 30 CGEDMO C=CCCCC[N@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000516713930 333081392 /nfs/dbraw/zinc/08/13/92/333081392.db2.gz JKVKXCBPPZFTGD-UHFFFAOYSA-N 1 1 292.448 3.252 20 30 CGEDMO C[C@@H]1C[C@H](C)CN(C(C)(C)C[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000185794366 333148940 /nfs/dbraw/zinc/14/89/40/333148940.db2.gz SYRBQSILSUSYCC-VVLHAWIVSA-N 1 1 291.483 3.415 20 30 CGEDMO C=CCCCN(C)C(=O)NC[C@H]1CCCC[N@@H+]1CCCC ZINC000522981309 333302997 /nfs/dbraw/zinc/30/29/97/333302997.db2.gz IUKSUYINWYCCGG-MRXNPFEDSA-N 1 1 295.471 3.249 20 30 CGEDMO C=CCCCCCN(C)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000523519579 333332002 /nfs/dbraw/zinc/33/20/02/333332002.db2.gz RKWPTHIYHQVTAC-HZPDHXFCSA-N 1 1 293.455 3.001 20 30 CGEDMO Clc1ccc(C#CC[N@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1 ZINC000575926859 335132130 /nfs/dbraw/zinc/13/21/30/335132130.db2.gz LHNTUQHIWIXBLD-IAGOWNOFSA-N 1 1 289.806 3.335 20 30 CGEDMO CC#CC[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000525119893 333399191 /nfs/dbraw/zinc/39/91/91/333399191.db2.gz YGBGZKANHFYTAO-UHFFFAOYSA-N 1 1 257.255 3.040 20 30 CGEDMO C[C@@H](c1ccccc1Cl)[N@@H+](C)CCOCCC#N ZINC000338929873 335140020 /nfs/dbraw/zinc/14/00/20/335140020.db2.gz RMARRGRCQZKWBF-LBPRGKRZSA-N 1 1 266.772 3.263 20 30 CGEDMO C=CCC[C@H](C)[NH2+][C@@H](C(=O)OC(C)(C)C)C(C)C ZINC000541767511 333791315 /nfs/dbraw/zinc/79/13/15/333791315.db2.gz BUGGZYAJRUZQAS-QWHCGFSZSA-N 1 1 255.402 3.297 20 30 CGEDMO N#CCC1CC[NH+](Cc2ncc(-c3ccccc3)o2)CC1 ZINC000542879121 333847368 /nfs/dbraw/zinc/84/73/68/333847368.db2.gz MWYFXYHLQUMDOF-UHFFFAOYSA-N 1 1 281.359 3.467 20 30 CGEDMO N#CCC1CC[NH+](Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC000543806936 333901087 /nfs/dbraw/zinc/90/10/87/333901087.db2.gz JCHXOYGPFBTPIG-UHFFFAOYSA-N 1 1 292.766 3.194 20 30 CGEDMO COC[C@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000135077155 334114748 /nfs/dbraw/zinc/11/47/48/334114748.db2.gz BVVNQTXPGHVKCU-AWEZNQCLSA-N 1 1 277.795 3.050 20 30 CGEDMO COC[C@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000135077155 334114749 /nfs/dbraw/zinc/11/47/49/334114749.db2.gz BVVNQTXPGHVKCU-AWEZNQCLSA-N 1 1 277.795 3.050 20 30 CGEDMO CC#CC[NH2+][C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000135266623 334122789 /nfs/dbraw/zinc/12/27/89/334122789.db2.gz PTNYOAUCGOINKT-KRWDZBQOSA-N 1 1 296.345 3.118 20 30 CGEDMO CC#CC[N@H+](C)Cc1ccc(OCc2ccccc2F)nc1 ZINC000550502639 334223552 /nfs/dbraw/zinc/22/35/52/334223552.db2.gz NYMRKMPJVMGJKW-UHFFFAOYSA-N 1 1 298.361 3.255 20 30 CGEDMO CC#CC[N@@H+](C)Cc1ccc(OCc2ccccc2F)nc1 ZINC000550502639 334223553 /nfs/dbraw/zinc/22/35/53/334223553.db2.gz NYMRKMPJVMGJKW-UHFFFAOYSA-N 1 1 298.361 3.255 20 30 CGEDMO C[N@H+](Cc1ccnc2ccccc12)CC(C)(C)C#N ZINC000552085886 334287428 /nfs/dbraw/zinc/28/74/28/334287428.db2.gz PYLXIPRZQIHCGX-UHFFFAOYSA-N 1 1 253.349 3.216 20 30 CGEDMO C[N@@H+](Cc1ccnc2ccccc12)CC(C)(C)C#N ZINC000552085886 334287429 /nfs/dbraw/zinc/28/74/29/334287429.db2.gz PYLXIPRZQIHCGX-UHFFFAOYSA-N 1 1 253.349 3.216 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](CC)[C@H](C)Cc1ccc(OC)cc1 ZINC000247680052 334288113 /nfs/dbraw/zinc/28/81/13/334288113.db2.gz ZOSTVECZFLQGCA-NVXWUHKLSA-N 1 1 291.435 3.275 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000248731074 334315150 /nfs/dbraw/zinc/31/51/50/334315150.db2.gz LFVGUUINPXESIT-FGTMMUONSA-N 1 1 294.483 3.306 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000565172646 334542373 /nfs/dbraw/zinc/54/23/73/334542373.db2.gz MAAPACNVGOVLPU-QGZVFWFLSA-N 1 1 299.418 3.095 20 30 CGEDMO C=CCCCC[N@@H+]1C[C@@H](CC)N(C(C)=O)C[C@@H]1CC ZINC000577340327 335340394 /nfs/dbraw/zinc/34/03/94/335340394.db2.gz YPSVWHUWRYGLEV-JKSUJKDBSA-N 1 1 266.429 3.064 20 30 CGEDMO C[C@H]([NH2+][C@H](CO)c1ccsc1)c1ccc(C#N)cc1F ZINC000349418152 335465796 /nfs/dbraw/zinc/46/57/96/335465796.db2.gz AQBQRWTWLTUHAV-ZUZCIYMTSA-N 1 1 290.363 3.143 20 30 CGEDMO C=CCCC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000381926471 336077599 /nfs/dbraw/zinc/07/75/99/336077599.db2.gz PYTWSUQKDNIDBW-MOPGFXCFSA-N 1 1 284.447 3.407 20 30 CGEDMO C=CCCC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000381926471 336077600 /nfs/dbraw/zinc/07/76/00/336077600.db2.gz PYTWSUQKDNIDBW-MOPGFXCFSA-N 1 1 284.447 3.407 20 30 CGEDMO C=CCCC[N@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000381926471 336077601 /nfs/dbraw/zinc/07/76/01/336077601.db2.gz PYTWSUQKDNIDBW-MOPGFXCFSA-N 1 1 284.447 3.407 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000381926471 336077603 /nfs/dbraw/zinc/07/76/03/336077603.db2.gz PYTWSUQKDNIDBW-MOPGFXCFSA-N 1 1 284.447 3.407 20 30 CGEDMO C=CC(C)(C)C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000294680657 500573736 /nfs/dbraw/zinc/57/37/36/500573736.db2.gz RUDORFAUVGYNBF-UHFFFAOYSA-N 1 1 288.435 3.355 20 30 CGEDMO C[C@@H]1CC[C@@]2(CC[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)C1 ZINC000364674106 534204231 /nfs/dbraw/zinc/20/42/31/534204231.db2.gz IGVOOZBHPRTXPA-ZTFGCOKTSA-N 1 1 284.403 3.104 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184218927 518699720 /nfs/dbraw/zinc/69/97/20/518699720.db2.gz MKCMAIWCSTYJNR-UHFFFAOYSA-N 1 1 282.315 3.141 20 30 CGEDMO N#CC1(C[N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)CC1 ZINC000347483808 534550107 /nfs/dbraw/zinc/55/01/07/534550107.db2.gz QMVMOEKEZLVDPC-CQSZACIVSA-N 1 1 276.767 3.097 20 30 CGEDMO N#CC1(C[N@@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)CC1 ZINC000347483808 534550112 /nfs/dbraw/zinc/55/01/12/534550112.db2.gz QMVMOEKEZLVDPC-CQSZACIVSA-N 1 1 276.767 3.097 20 30 CGEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)C1CCCCC1 ZINC000157308959 522041637 /nfs/dbraw/zinc/04/16/37/522041637.db2.gz BXLNCKNMHYCHDB-UHFFFAOYSA-N 1 1 288.391 3.210 20 30 CGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](C2CC2)C1 ZINC000289534367 524278156 /nfs/dbraw/zinc/27/81/56/524278156.db2.gz WITGYDJHIYJXEO-BBRMVZONSA-N 1 1 297.402 3.007 20 30 CGEDMO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000363916582 534845389 /nfs/dbraw/zinc/84/53/89/534845389.db2.gz BGAPXXGMAWSRGB-KRWDZBQOSA-N 1 1 298.365 3.076 20 30 CGEDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000363916582 534845393 /nfs/dbraw/zinc/84/53/93/534845393.db2.gz BGAPXXGMAWSRGB-KRWDZBQOSA-N 1 1 298.365 3.076 20 30 CGEDMO C[C@@H]1[C@@H](C)CC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000156637437 525652570 /nfs/dbraw/zinc/65/25/70/525652570.db2.gz NGLZZHDJYHBELE-UONOGXRCSA-N 1 1 258.365 3.057 20 30 CGEDMO C=CC[N@@H+](Cc1nc2ccc(OC)cc2s1)C1CC1 ZINC000354930230 526382980 /nfs/dbraw/zinc/38/29/80/526382980.db2.gz XELKAGSNKBDHKJ-UHFFFAOYSA-N 1 1 274.389 3.455 20 30 CGEDMO C=CC[N@H+](Cc1nc2ccc(OC)cc2s1)C1CC1 ZINC000354930230 526382985 /nfs/dbraw/zinc/38/29/85/526382985.db2.gz XELKAGSNKBDHKJ-UHFFFAOYSA-N 1 1 274.389 3.455 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000157005234 526735290 /nfs/dbraw/zinc/73/52/90/526735290.db2.gz ZXJGWMJIAIXSGU-OAHLLOKOSA-N 1 1 283.400 3.394 20 30 CGEDMO C=CCOCCC[N@H+](C)Cc1cc(Cl)ccc1OC ZINC000347970155 526747278 /nfs/dbraw/zinc/74/72/78/526747278.db2.gz MBWXBAUWHIJGCV-UHFFFAOYSA-N 1 1 283.799 3.373 20 30 CGEDMO C=CCOCCC[N@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000347260028 526759274 /nfs/dbraw/zinc/75/92/74/526759274.db2.gz ZWXNNXIXUPPVBO-GDBMZVCRSA-N 1 1 260.381 3.057 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)[C@@H](C)c2cnn(C)c2)cc1 ZINC000347635068 526860792 /nfs/dbraw/zinc/86/07/92/526860792.db2.gz WYHGOMKAHBSYNI-AWEZNQCLSA-N 1 1 285.391 3.178 20 30 CGEDMO C=CC[C@@H](CC)NC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000347703375 527043238 /nfs/dbraw/zinc/04/32/38/527043238.db2.gz MZESELRJSSUSNY-JKSUJKDBSA-N 1 1 295.471 3.152 20 30 CGEDMO C=CCCC1(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000355032550 527086849 /nfs/dbraw/zinc/08/68/49/527086849.db2.gz CSRWCBXSHAPSGG-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000355904347 527194531 /nfs/dbraw/zinc/19/45/31/527194531.db2.gz DJQVFXMCWXPEHX-QGZVFWFLSA-N 1 1 258.409 3.159 20 30 CGEDMO C=CCC[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccco1 ZINC000353533972 527488751 /nfs/dbraw/zinc/48/87/51/527488751.db2.gz YKVNZIPDBIWYRH-KKUMJFAQSA-N 1 1 262.397 3.359 20 30 CGEDMO C=CCC[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1ccco1 ZINC000353533972 527488755 /nfs/dbraw/zinc/48/87/55/527488755.db2.gz YKVNZIPDBIWYRH-KKUMJFAQSA-N 1 1 262.397 3.359 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@](C)(F)C1 ZINC000347389645 527499305 /nfs/dbraw/zinc/49/93/05/527499305.db2.gz NDYDXNWSBCVNGX-INIZCTEOSA-N 1 1 260.356 3.422 20 30 CGEDMO CC(C)CC[C@@H](O)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425540510 527811779 /nfs/dbraw/zinc/81/17/79/527811779.db2.gz VOOKSILSJGCVPH-RHSMWYFYSA-N 1 1 274.408 3.348 20 30 CGEDMO CC(C)[C@H]1C[N@H+](Cc2cccc(F)c2C#N)CCS1 ZINC000428217662 527856177 /nfs/dbraw/zinc/85/61/77/527856177.db2.gz HMCZCMRRVWSLMA-OAHLLOKOSA-N 1 1 278.396 3.271 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](Cc2cccc(F)c2C#N)CCS1 ZINC000428217662 527856180 /nfs/dbraw/zinc/85/61/80/527856180.db2.gz HMCZCMRRVWSLMA-OAHLLOKOSA-N 1 1 278.396 3.271 20 30 CGEDMO CC(C)C[N@H+]1CCCC[C@H]1CNc1ncc(C#N)cc1F ZINC000413206250 527969127 /nfs/dbraw/zinc/96/91/27/527969127.db2.gz PMFUKMRDQJIEJK-AWEZNQCLSA-N 1 1 290.386 3.015 20 30 CGEDMO CC(C)C[C@@H](C[NH+]1CCCC1)NCc1cc(C#N)cs1 ZINC000449383259 528314628 /nfs/dbraw/zinc/31/46/28/528314628.db2.gz GBJVRKJAUAZBNL-HNNXBMFYSA-N 1 1 291.464 3.220 20 30 CGEDMO CC[N@@H+](CCC#N)CC[C@@H](C)OCc1ccccc1 ZINC000354840483 528376560 /nfs/dbraw/zinc/37/65/60/528376560.db2.gz DMBJLDDEYROYPN-OAHLLOKOSA-N 1 1 260.381 3.217 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)C[C@@H]1CCO[C@H](C)C1 ZINC000352721378 528750845 /nfs/dbraw/zinc/75/08/45/528750845.db2.gz MEOSZFFOBDLINI-GDBMZVCRSA-N 1 1 266.429 3.453 20 30 CGEDMO CC(C)[N@@H+](CCO)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000177034479 528908594 /nfs/dbraw/zinc/90/85/94/528908594.db2.gz QGGXLVUSTUZCNB-UHFFFAOYSA-N 1 1 294.398 3.428 20 30 CGEDMO CC[N@@H+]1CCCC[C@@H]1CN[C@@H](C)c1ccc(C#N)cc1F ZINC000358570661 529005068 /nfs/dbraw/zinc/00/50/68/529005068.db2.gz NOBSFAZPBQDPIY-DZGCQCFKSA-N 1 1 289.398 3.222 20 30 CGEDMO CC[N@H+]1CCCC[C@@H]1CN[C@@H](C)c1ccc(C#N)cc1F ZINC000358570661 529005076 /nfs/dbraw/zinc/00/50/76/529005076.db2.gz NOBSFAZPBQDPIY-DZGCQCFKSA-N 1 1 289.398 3.222 20 30 CGEDMO CC[C@@H]([NH2+][C@@H](C)c1ccn(C)n1)c1ccc(C#N)cc1 ZINC000414184849 529200711 /nfs/dbraw/zinc/20/07/11/529200711.db2.gz OLWOOZUQVVGYCI-SWLSCSKDSA-N 1 1 268.364 3.094 20 30 CGEDMO CC[C@@H]1CC[C@@H](C)[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000357555591 529337379 /nfs/dbraw/zinc/33/73/79/529337379.db2.gz SORDBEIKZWZLDZ-UKRRQHHQSA-N 1 1 288.391 3.209 20 30 CGEDMO CCC[N@@H+](CCC(=O)Nc1sccc1C#N)C(C)C ZINC000516580960 535314855 /nfs/dbraw/zinc/31/48/55/535314855.db2.gz XTIUBOBTOKEPLH-UHFFFAOYSA-N 1 1 279.409 3.069 20 30 CGEDMO CN(C)c1ccc(C=[NH+]NCc2cccc(F)c2)cc1F ZINC000727651239 571759138 /nfs/dbraw/zinc/75/91/38/571759138.db2.gz OPJRADQZWHXLHX-UHFFFAOYSA-N 1 1 289.329 3.155 20 30 CGEDMO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2c2ccccc2)C1=O ZINC000337181617 571823205 /nfs/dbraw/zinc/82/32/05/571823205.db2.gz BADIJCYNLCAJFE-DLBZAZTESA-N 1 1 284.403 3.001 20 30 CGEDMO C[N@H+](Cc1ccccc1)Cc1ccc(C#N)cc1F ZINC000019508114 571834811 /nfs/dbraw/zinc/83/48/11/571834811.db2.gz WEBMWMVFFCUXOU-UHFFFAOYSA-N 1 1 254.308 3.329 20 30 CGEDMO C[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1F ZINC000019508114 571834817 /nfs/dbraw/zinc/83/48/17/571834817.db2.gz WEBMWMVFFCUXOU-UHFFFAOYSA-N 1 1 254.308 3.329 20 30 CGEDMO N#CCC[N@H+](Cc1c(O)ccc2ccncc21)CC1CC1 ZINC000728901670 571846580 /nfs/dbraw/zinc/84/65/80/571846580.db2.gz ZHRDRBZYFPGMAR-UHFFFAOYSA-N 1 1 281.359 3.066 20 30 CGEDMO CC(C)C[N@H+](CCC#N)Cc1cc2c(c(Cl)c1)OCO2 ZINC000740423332 572441880 /nfs/dbraw/zinc/44/18/80/572441880.db2.gz GWFLXKGLCFNLNJ-UHFFFAOYSA-N 1 1 294.782 3.440 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)Cc1cc2c(c(Cl)c1)OCO2 ZINC000740423332 572441882 /nfs/dbraw/zinc/44/18/82/572441882.db2.gz GWFLXKGLCFNLNJ-UHFFFAOYSA-N 1 1 294.782 3.440 20 30 CGEDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000740885078 572466409 /nfs/dbraw/zinc/46/64/09/572466409.db2.gz YNVIKOZVOUPLNO-VXGBXAGGSA-N 1 1 278.783 3.473 20 30 CGEDMO C#CCOc1ccc(C[NH2+]Cc2csc(C3CC3)n2)cc1 ZINC000733326461 572556425 /nfs/dbraw/zinc/55/64/25/572556425.db2.gz FEFUEHSAGVDRDB-UHFFFAOYSA-N 1 1 298.411 3.322 20 30 CGEDMO CCCCCCCC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000742841141 572621409 /nfs/dbraw/zinc/62/14/09/572621409.db2.gz JXEUJQMUJUCWHQ-HNNXBMFYSA-N 1 1 268.445 3.193 20 30 CGEDMO C#CC[N@@H+](C)CCOc1ccc(OCc2ccccc2)cc1 ZINC000734001314 572622204 /nfs/dbraw/zinc/62/22/04/572622204.db2.gz AJPCTWLATPRIPH-UHFFFAOYSA-N 1 1 295.382 3.209 20 30 CGEDMO C#CC[N@H+](CCc1ccc(OC)cc1)CC(C)(C)C ZINC000734486810 572659452 /nfs/dbraw/zinc/65/94/52/572659452.db2.gz JIBJJBMBXHHUCR-UHFFFAOYSA-N 1 1 259.393 3.219 20 30 CGEDMO C[C@@H](Nc1nc(N2CCCC2)cc[nH+]1)c1cccc(C#N)c1 ZINC000743459675 572663975 /nfs/dbraw/zinc/66/39/75/572663975.db2.gz LNYFFLSZMTWSKP-CYBMUJFWSA-N 1 1 293.374 3.122 20 30 CGEDMO C[N@@H+](Cc1cc(Cl)ccc1OCC#N)C1CCC1 ZINC000743852859 572690751 /nfs/dbraw/zinc/69/07/51/572690751.db2.gz JMPLVHFDSDXVKM-UHFFFAOYSA-N 1 1 264.756 3.227 20 30 CGEDMO CC[N@H+](Cc1cc(Cl)ccc1OCC#N)CC1CC1 ZINC000735311107 572714545 /nfs/dbraw/zinc/71/45/45/572714545.db2.gz KCTWYDAFMFDTTL-UHFFFAOYSA-N 1 1 278.783 3.474 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000744208749 572723271 /nfs/dbraw/zinc/72/32/71/572723271.db2.gz GRHDRRGUILSKSB-UHFFFAOYSA-N 1 1 278.330 3.333 20 30 CGEDMO C#CC[N@H+](Cc1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000744208749 572723275 /nfs/dbraw/zinc/72/32/75/572723275.db2.gz GRHDRRGUILSKSB-UHFFFAOYSA-N 1 1 278.330 3.333 20 30 CGEDMO C#CC[N@@H+](CC(=O)Nc1ccccc1F)C1CCCCC1 ZINC000744212547 572723548 /nfs/dbraw/zinc/72/35/48/572723548.db2.gz IXPJRIFBZQHRJC-UHFFFAOYSA-N 1 1 288.366 3.032 20 30 CGEDMO C#CC[N@H+](CC(=O)Nc1ccccc1F)C1CCCCC1 ZINC000744212547 572723549 /nfs/dbraw/zinc/72/35/49/572723549.db2.gz IXPJRIFBZQHRJC-UHFFFAOYSA-N 1 1 288.366 3.032 20 30 CGEDMO CCCCCCCCC(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000744345917 572745565 /nfs/dbraw/zinc/74/55/65/572745565.db2.gz UMAPIJJYTVFFBY-HNNXBMFYSA-N 1 1 268.445 3.338 20 30 CGEDMO Cc1nn(C)c(C)c1C[N@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000749905448 573055769 /nfs/dbraw/zinc/05/57/69/573055769.db2.gz HYOWUFVTJWFNCQ-ZDUSSCGKSA-N 1 1 282.391 3.102 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC000823894726 608708124 /nfs/dbraw/zinc/70/81/24/608708124.db2.gz WVFQBASMHLQLBN-UHFFFAOYSA-N 1 1 291.424 3.106 20 30 CGEDMO C#Cc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C(C)C)CC2)cc1 ZINC000948665277 613166424 /nfs/dbraw/zinc/16/64/24/613166424.db2.gz IXVHNAYCXQEJRM-SFHVURJKSA-N 1 1 298.430 3.003 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC000968274428 613263106 /nfs/dbraw/zinc/26/31/06/613263106.db2.gz LSMHQNNTUFAJAI-CVEARBPZSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2(F)CCCC2)C1 ZINC000967063474 613264702 /nfs/dbraw/zinc/26/47/02/613264702.db2.gz RDWOJISIZJZVJC-HUUCEWRRSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C(C)=C2CCC2)C[C@H]1C ZINC000947301685 613265122 /nfs/dbraw/zinc/26/51/22/613265122.db2.gz XTYWOILBSYDCGS-RHSMWYFYSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C(C)=C2CCC2)C[C@@H]1C ZINC000947301687 613270437 /nfs/dbraw/zinc/27/04/37/613270437.db2.gz XTYWOILBSYDCGS-YOEHRIQHSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCC)C2)C1 ZINC000961103241 613273466 /nfs/dbraw/zinc/27/34/66/613273466.db2.gz WBWOWCMXKKOVLD-SJORKVTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@]2(C)C=CCC2)C(C)(C)C1 ZINC000974966065 613274274 /nfs/dbraw/zinc/27/42/74/613274274.db2.gz VRRBNYONCMTBKK-QAPCUYQASA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)C2(F)CCCC2)C(C)(C)C1 ZINC000974745935 613276903 /nfs/dbraw/zinc/27/69/03/613276903.db2.gz NJSNEBAKNMBFOK-AWEZNQCLSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)C(C)(C)C)C1 ZINC000972090182 613282588 /nfs/dbraw/zinc/28/25/88/613282588.db2.gz OPJGOWZWDJLPNY-CQSZACIVSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)C2(C3CCC3)CCC2)C1 ZINC000972023879 613287986 /nfs/dbraw/zinc/28/79/86/613287986.db2.gz LRRXRRPRNZPGEA-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC000971563964 613289966 /nfs/dbraw/zinc/28/99/66/613289966.db2.gz QVUKGTNRXMZCOF-HRCADAONSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC000980456013 613290911 /nfs/dbraw/zinc/29/09/11/613290911.db2.gz GTXBJOAVGBAEOH-FUHWJXTLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2ccc(CC)s2)C1 ZINC000971888907 613291119 /nfs/dbraw/zinc/29/11/19/613291119.db2.gz ZEAGBPLWXUMUTA-ZDUSSCGKSA-N 1 1 292.448 3.033 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC12CCC2 ZINC000969054552 613306264 /nfs/dbraw/zinc/30/62/64/613306264.db2.gz UKRBHZHXRMDTNN-HZPDHXFCSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]2CCC)CC1 ZINC000981503526 613309614 /nfs/dbraw/zinc/30/96/14/613309614.db2.gz NRPIUYDPFFEGPR-IAGOWNOFSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)[C@H]2CCC(C)=C(C)C2)CC1 ZINC000981226261 613310738 /nfs/dbraw/zinc/31/07/38/613310738.db2.gz BNDUNNSDTGHWIF-KRWDZBQOSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)CC2(C)CCCCC2)CC1 ZINC000949224141 613315903 /nfs/dbraw/zinc/31/59/03/613315903.db2.gz JIKDDJBXYNWHFB-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C=C(C)C)C2)C1 ZINC000961106365 613332064 /nfs/dbraw/zinc/33/20/64/613332064.db2.gz BUMIGWAVMAMTOL-IAGOWNOFSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)CC2CC(C)(C)C2)[C@H](C)C1 ZINC000942577454 613334997 /nfs/dbraw/zinc/33/49/97/613334997.db2.gz KRXZRTJMOKAHGS-ZBFHGGJFSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](C)C2CCCC2)C(C)(C)C1 ZINC000977449361 613338265 /nfs/dbraw/zinc/33/82/65/613338265.db2.gz JGSCGORYCKQJGZ-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccc(C)s2)C(C)(C)C1 ZINC000972758672 613338579 /nfs/dbraw/zinc/33/85/79/613338579.db2.gz WFTZUTYHVKPKNG-CQSZACIVSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)c2cccc(C)c2)C(C)(C)C1 ZINC000972765358 613342106 /nfs/dbraw/zinc/34/21/06/613342106.db2.gz IZBPCPINXNJTQC-INIZCTEOSA-N 1 1 286.419 3.011 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)CC2CCCCC2)C1 ZINC000971030991 613368025 /nfs/dbraw/zinc/36/80/25/613368025.db2.gz FICZKAFGFQEVDQ-OAHLLOKOSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)CC2CCCCC2)C1 ZINC000971030991 613368026 /nfs/dbraw/zinc/36/80/26/613368026.db2.gz FICZKAFGFQEVDQ-OAHLLOKOSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)CC(C)(C)C2CC2)C1 ZINC000971500904 613369548 /nfs/dbraw/zinc/36/95/48/613369548.db2.gz QAOPFTIEXBLKHF-AWEZNQCLSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)CC(C)(C)C2CC2)C1 ZINC000971500904 613369549 /nfs/dbraw/zinc/36/95/49/613369549.db2.gz QAOPFTIEXBLKHF-AWEZNQCLSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)C2CCC=CCC2)C1 ZINC000980423003 613369623 /nfs/dbraw/zinc/36/96/23/613369623.db2.gz QLIMZUARBFZTEC-HNNXBMFYSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)C2CCC=CCC2)C1 ZINC000980423003 613369624 /nfs/dbraw/zinc/36/96/24/613369624.db2.gz QLIMZUARBFZTEC-HNNXBMFYSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](N(C)C(=O)C2CC=CC2)CC1 ZINC000948263034 613374126 /nfs/dbraw/zinc/37/41/26/613374126.db2.gz XKECYEVYXRAWLM-OAHLLOKOSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(C)CCCC2)C[C@@H]1C ZINC000947588221 613378289 /nfs/dbraw/zinc/37/82/89/613378289.db2.gz AHFORACTFNLBPG-KBPBESRZSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(C)CCCC2)C[C@@H]1C ZINC000947588221 613378290 /nfs/dbraw/zinc/37/82/90/613378290.db2.gz AHFORACTFNLBPG-KBPBESRZSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C1CC(C)(C(=O)N(C)[C@@H]2CCC[N@@H+](CC3CC3)CC2)C1 ZINC000948753817 613393027 /nfs/dbraw/zinc/39/30/27/613393027.db2.gz PRUFOGJIUIMHSX-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC[C@@H]2CCC)C1 ZINC000950677960 613477266 /nfs/dbraw/zinc/47/72/66/613477266.db2.gz MQMAQFBMNWLUFM-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2C[C@]2(CC)C(C)C)C1 ZINC000957066987 613478261 /nfs/dbraw/zinc/47/82/61/613478261.db2.gz ITKQTZVHWGRMOZ-FUHWJXTLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)c2cc(C)ccc2C)C1 ZINC000957322508 613479255 /nfs/dbraw/zinc/47/92/55/613479255.db2.gz RBWSDALZNJHLFE-UHFFFAOYSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C[C@H](C(=O)N1CC[NH+](CC=C(C)C)CC1)c1ccccc1 ZINC000957744120 613481587 /nfs/dbraw/zinc/48/15/87/613481587.db2.gz KYMNBMIYLCSXOK-SFHVURJKSA-N 1 1 298.430 3.067 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)c2cscc2Cl)C1 ZINC000950573283 613481727 /nfs/dbraw/zinc/48/17/27/613481727.db2.gz NOCVLHULGYGZOG-UHFFFAOYSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CCC[N@@H+]1CCCC2(CN(C(=O)C(C)(C)C(=C)C)C2)C1 ZINC000981930072 613488299 /nfs/dbraw/zinc/48/82/99/613488299.db2.gz HYLMKIILEQSOLX-UHFFFAOYSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC000969054167 613490048 /nfs/dbraw/zinc/49/00/48/613490048.db2.gz RFBQQIKNVVLFDN-CVEARBPZSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccsc1 ZINC000968744505 613490273 /nfs/dbraw/zinc/49/02/73/613490273.db2.gz JCKPBOZPILMCQY-OAHLLOKOSA-N 1 1 292.448 3.299 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)c2cc(Cl)cs2)CC1 ZINC000982085980 613496763 /nfs/dbraw/zinc/49/67/63/613496763.db2.gz ALTATXPWDRSIGI-UHFFFAOYSA-N 1 1 298.839 3.126 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@]23C[C@H]2CCC3)CC1 ZINC000948635336 613499745 /nfs/dbraw/zinc/49/97/45/613499745.db2.gz PEKQGYBRKPCQJK-JFIYKMOQSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)C2CC(C)(C)C2)CC1 ZINC000948350250 613500966 /nfs/dbraw/zinc/50/09/66/613500966.db2.gz XEAKWJFICNYBLB-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)c2coc(C)c2)CC1 ZINC000948331146 613501341 /nfs/dbraw/zinc/50/13/41/613501341.db2.gz YYCYILVKMQXDFN-INIZCTEOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[N@@H+](CC2CCCC2)CC1 ZINC000981887884 613501841 /nfs/dbraw/zinc/50/18/41/613501841.db2.gz SRBVNVNYGGZSTM-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[C@H]2C[N@@H+](CCC)C[C@H]2CC1 ZINC000946762103 613504306 /nfs/dbraw/zinc/50/43/06/613504306.db2.gz PUPMCRQHJSYLOZ-SOLBZPMBSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)cs2)C[C@@H]1C ZINC000947272864 613523258 /nfs/dbraw/zinc/52/32/58/613523258.db2.gz ZAPMRNWZKLLJAT-UONOGXRCSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC(C)C)C2)C1 ZINC000961120986 613528871 /nfs/dbraw/zinc/52/88/71/613528871.db2.gz WTYYSDSJOMYFOR-IAGOWNOFSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)CC2=CCCCC2)C1 ZINC000965625565 613530853 /nfs/dbraw/zinc/53/08/53/613530853.db2.gz OEXSZUUKZZUASB-DOTOQJQBSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C2CCC2)C[C@@H]1C ZINC000947579647 613533434 /nfs/dbraw/zinc/53/34/34/613533434.db2.gz DUMWYXSLGXCLDK-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)C2(F)CCCC2)C(C)(C)C1 ZINC000940851329 613533894 /nfs/dbraw/zinc/53/38/94/613533894.db2.gz VNDYHXFOZUUGPT-AWEZNQCLSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC=CCC2)C(C)(C)C1 ZINC000940559974 613536923 /nfs/dbraw/zinc/53/69/23/613536923.db2.gz KIIBSDOZZMQVFC-HOTGVXAUSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)c2ccc(C)s2)[C@@H](C)C1 ZINC000941756256 613538516 /nfs/dbraw/zinc/53/85/16/613538516.db2.gz QFSTVGSARWQERT-JSGCOSHPSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)CC2CC(C)(C)C2)C(C)(C)C1 ZINC000974965436 613543650 /nfs/dbraw/zinc/54/36/50/613543650.db2.gz ZFENXXFFJNHZHJ-OAHLLOKOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)CC2CCCCC2)C1 ZINC000972456489 613616965 /nfs/dbraw/zinc/61/69/65/613616965.db2.gz AGMFCVABGHQBKK-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)C[C@H](C)C2CCCCC2)C1 ZINC000972536309 613628741 /nfs/dbraw/zinc/62/87/41/613628741.db2.gz KJVSEDBFIPUVKB-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)c2ccccc2C(C)C)C1 ZINC000971644004 613637315 /nfs/dbraw/zinc/63/73/15/613637315.db2.gz CZVRTPGAFYGNLU-HNNXBMFYSA-N 1 1 286.419 3.142 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2sccc2C)CC1 ZINC000948148937 613703165 /nfs/dbraw/zinc/70/31/65/613703165.db2.gz KWXOURQLTCRXJA-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(F)=C(C)C)C1 ZINC000963288129 613703211 /nfs/dbraw/zinc/70/32/11/613703211.db2.gz YGESDLSZENRFFC-HUUCEWRRSA-N 1 1 294.414 3.139 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)(C)C2CCCC2)C1 ZINC000966778937 613732244 /nfs/dbraw/zinc/73/22/44/613732244.db2.gz BQVKIJWTJXHCQD-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)[C@]2(C)CC=CCC2)C(C)(C)C1 ZINC000940763072 613746302 /nfs/dbraw/zinc/74/63/02/613746302.db2.gz CDHOZMDZHAGEJK-CRAIPNDOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)c(C)c2)C[C@H]1C ZINC000947999078 613752096 /nfs/dbraw/zinc/75/20/96/613752096.db2.gz UCEAYRTWZZGTAW-NVXWUHKLSA-N 1 1 286.419 3.072 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc(Cl)s2)[C@@H](C)C1 ZINC000944653100 613752482 /nfs/dbraw/zinc/75/24/82/613752482.db2.gz KQTZAMUUEXKPNB-WDEREUQCSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2occc2C(C)C)[C@H](C)C1 ZINC000942577601 613762875 /nfs/dbraw/zinc/76/28/75/613762875.db2.gz MTKGLFDUQHBVHR-UKRRQHHQSA-N 1 1 290.407 3.029 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC000961109891 613765813 /nfs/dbraw/zinc/76/58/13/613765813.db2.gz IDKBKPFGSYRAGD-QZTJIDSGSA-N 1 1 298.430 3.047 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C2CCC2)C(C)(C)C1 ZINC000940918778 613778899 /nfs/dbraw/zinc/77/88/99/613778899.db2.gz UYPKLIMUNFOTQR-HNNXBMFYSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)C[C@H]1C ZINC000948085803 613779578 /nfs/dbraw/zinc/77/95/78/613779578.db2.gz CORYFSRLTFZYII-KGLIPLIRSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cc3ccccc3o2)C[C@H]1C ZINC000948001723 613789329 /nfs/dbraw/zinc/78/93/29/613789329.db2.gz DVKZGPYYRBXOLZ-HIFRSBDPSA-N 1 1 298.386 3.202 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cscc2C)C(C)(C)C1 ZINC000940658987 613799134 /nfs/dbraw/zinc/79/91/34/613799134.db2.gz UGHLALSDNKNLQC-AWEZNQCLSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)[C@H]2CCCCC2(C)C)C(C)(C)C1 ZINC000977635564 613828027 /nfs/dbraw/zinc/82/80/27/613828027.db2.gz MMXBGXXBPSAMGW-CABCVRRESA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC2(C)CC2)C1 ZINC001021634124 618077662 /nfs/dbraw/zinc/07/76/62/618077662.db2.gz WZPGDHQSFCYODD-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(Cc2ccc(F)cc2)no1 ZINC000899994061 620742326 /nfs/dbraw/zinc/74/23/26/620742326.db2.gz RTTIOMZSMQWQBJ-CYBMUJFWSA-N 1 1 275.327 3.156 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccc3c(c2)CCO3)no1 ZINC000900012224 620743980 /nfs/dbraw/zinc/74/39/80/620743980.db2.gz RTPCVUPLYXYZPM-ZDUSSCGKSA-N 1 1 285.347 3.028 20 30 CGEDMO C#CC[C@H](Cc1ccccc1)Nc1cc(C)[nH+]c(CC)n1 ZINC000804808397 617849918 /nfs/dbraw/zinc/84/99/18/617849918.db2.gz SBFNMKZGOWEUFU-MRXNPFEDSA-N 1 1 279.387 3.394 20 30 CGEDMO C[N@H+]1CCCC[C@@H]1C(=O)N(O)Cc1cccc2ccccc21 ZINC000900091666 620761274 /nfs/dbraw/zinc/76/12/74/620761274.db2.gz HCALPCIGLWHBJX-QGZVFWFLSA-N 1 1 298.386 3.042 20 30 CGEDMO C=C1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)CC1 ZINC001021367705 617970320 /nfs/dbraw/zinc/97/03/20/617970320.db2.gz UBIIIRCZTKNYKS-ALOPSCKCSA-N 1 1 290.451 3.253 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C=C(C)C)C1 ZINC001021509982 618017289 /nfs/dbraw/zinc/01/72/89/618017289.db2.gz DSJXCMXZUDDCJH-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933076595 618139169 /nfs/dbraw/zinc/13/91/69/618139169.db2.gz ANVOJPCNWXWYAH-MRXNPFEDSA-N 1 1 278.440 3.455 20 30 CGEDMO CC(C)CC(N)=[NH+]OCc1cccc(OC(F)F)c1 ZINC000050957422 618171653 /nfs/dbraw/zinc/17/16/53/618171653.db2.gz QLNTWRSJWZCPHR-UHFFFAOYSA-N 1 1 272.295 3.123 20 30 CGEDMO CCn1cnc2c1CC[N@@H+](CCCCC1(C#N)CCC1)C2 ZINC000933256019 618176646 /nfs/dbraw/zinc/17/66/46/618176646.db2.gz HYCYVZRXKVFDQZ-UHFFFAOYSA-N 1 1 286.423 3.125 20 30 CGEDMO COCC[N@@H+](Cc1csc(C#N)c1)Cc1cccs1 ZINC000891511765 618234836 /nfs/dbraw/zinc/23/48/36/618234836.db2.gz YUUXHEAVCROOMH-UHFFFAOYSA-N 1 1 292.429 3.330 20 30 CGEDMO COCC[N@H+](Cc1csc(C#N)c1)Cc1cccs1 ZINC000891511765 618234839 /nfs/dbraw/zinc/23/48/39/618234839.db2.gz YUUXHEAVCROOMH-UHFFFAOYSA-N 1 1 292.429 3.330 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1O[C@@H](C)C(=O)OC)C(C)C ZINC000891675822 618245771 /nfs/dbraw/zinc/24/57/71/618245771.db2.gz YJJCIZUVUOFIMX-AWEZNQCLSA-N 1 1 291.391 3.023 20 30 CGEDMO C[N@@H+](CCSC(F)(F)F)Cc1cc(C#N)cs1 ZINC000933769730 618321193 /nfs/dbraw/zinc/32/11/93/618321193.db2.gz FAIGVHRTKCEVDJ-UHFFFAOYSA-N 1 1 280.340 3.305 20 30 CGEDMO C[C@H](c1ccc(F)nc1)[N@H+](C)Cc1cc(C#N)cs1 ZINC000933771006 618321899 /nfs/dbraw/zinc/32/18/99/618321899.db2.gz UPPISTCDJGSVJZ-SNVBAGLBSA-N 1 1 275.352 3.347 20 30 CGEDMO C[C@H](c1ccc(F)nc1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933771006 618321907 /nfs/dbraw/zinc/32/19/07/618321907.db2.gz UPPISTCDJGSVJZ-SNVBAGLBSA-N 1 1 275.352 3.347 20 30 CGEDMO C=CCCCN(CC)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000900862026 620817041 /nfs/dbraw/zinc/81/70/41/620817041.db2.gz MXULAVZAZNQQMV-HNNXBMFYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1CCCCC(=O)OC(C)(C)C ZINC000934463038 618623753 /nfs/dbraw/zinc/62/37/53/618623753.db2.gz VUWWYUWRQGSBDE-ZDUSSCGKSA-N 1 1 253.386 3.149 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1C[C@@H](O)c1ccc(Br)cc1 ZINC000934462964 618624405 /nfs/dbraw/zinc/62/44/05/618624405.db2.gz SIQGZKFMHVRWTL-UONOGXRCSA-N 1 1 296.208 3.133 20 30 CGEDMO C#CCCCCC[N@@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC000934492379 618633444 /nfs/dbraw/zinc/63/34/44/618633444.db2.gz MJLGKTMNMLHYTL-INIZCTEOSA-N 1 1 283.419 3.060 20 30 CGEDMO C=C(Cl)C[NH2+][C@H](C)c1cnn(CC2CCC2)c1 ZINC000934553150 618644378 /nfs/dbraw/zinc/64/43/78/618644378.db2.gz BPFBFZPVNIGYRL-LLVKDONJSA-N 1 1 253.777 3.086 20 30 CGEDMO C=CCCC[N@H+](CC)CCOC1CCSCC1 ZINC000934643837 618664365 /nfs/dbraw/zinc/66/43/65/618664365.db2.gz WBMMHFUWUYYWIG-UHFFFAOYSA-N 1 1 257.443 3.187 20 30 CGEDMO C=CCCC[N@H+](CC)C[C@H](O)c1cccc(F)c1 ZINC000934648572 618664942 /nfs/dbraw/zinc/66/49/42/618664942.db2.gz CXFFYUKZDMAKSO-HNNXBMFYSA-N 1 1 251.345 3.147 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)c1 ZINC000934880600 618708532 /nfs/dbraw/zinc/70/85/32/618708532.db2.gz PFEULQWMCPNVDR-UONOGXRCSA-N 1 1 287.407 3.276 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H](OCCOC)C1 ZINC000179337919 618775961 /nfs/dbraw/zinc/77/59/61/618775961.db2.gz UHLLKEBCOQAYOJ-OAHLLOKOSA-N 1 1 257.418 3.084 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](C[C@@H]2CCc3ccccc32)C1 ZINC000784451566 618960075 /nfs/dbraw/zinc/96/00/75/618960075.db2.gz IBUDYPBNGJZWOV-RDJZCZTQSA-N 1 1 254.377 3.342 20 30 CGEDMO C[C@H]1Cc2ccccc2C[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000178329935 618971843 /nfs/dbraw/zinc/97/18/43/618971843.db2.gz ZUKDIDXYAFVHEG-LIRRHRJNSA-N 1 1 292.382 3.038 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001009299944 619172647 /nfs/dbraw/zinc/17/26/47/619172647.db2.gz OAKLPSDGKDCJQE-OAHLLOKOSA-N 1 1 292.810 3.110 20 30 CGEDMO C[C@H](C#N)Oc1ccccc1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000893472850 619186864 /nfs/dbraw/zinc/18/68/64/619186864.db2.gz PKAITCOUGIUCIV-FFHGMXDLSA-N 1 1 285.391 3.015 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cn1cccnc1=S ZINC000054515993 619233424 /nfs/dbraw/zinc/23/34/24/619233424.db2.gz WLFAFAQAAYEDBF-UHFFFAOYSA-N 1 1 298.415 3.354 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)Cn1cccnc1=S ZINC000054515993 619233426 /nfs/dbraw/zinc/23/34/26/619233426.db2.gz WLFAFAQAAYEDBF-UHFFFAOYSA-N 1 1 298.415 3.354 20 30 CGEDMO C#CC[N@@H+](Cc1ocnc1C)[C@H]1CCc2ccccc21 ZINC000893867036 619324477 /nfs/dbraw/zinc/32/44/77/619324477.db2.gz SUDMMGBTQPHSFF-INIZCTEOSA-N 1 1 266.344 3.106 20 30 CGEDMO C#CC[N@H+](Cc1ocnc1C)[C@H]1CCc2ccccc21 ZINC000893867036 619324480 /nfs/dbraw/zinc/32/44/80/619324480.db2.gz SUDMMGBTQPHSFF-INIZCTEOSA-N 1 1 266.344 3.106 20 30 CGEDMO Cc1nc(C[NH2+][C@H](C)CC(C)(C)C#N)nc2ccccc12 ZINC000924905400 619432523 /nfs/dbraw/zinc/43/25/23/619432523.db2.gz GIROHBDJNVQZIW-GFCCVEGCSA-N 1 1 282.391 3.356 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@H+]2CCSC[C@H]2C)c1O ZINC000178893475 619436557 /nfs/dbraw/zinc/43/65/57/619436557.db2.gz LCYWPEQCMIAEJJ-GFCCVEGCSA-N 1 1 293.432 3.067 20 30 CGEDMO CCOC1CC2(C1)CC[N@@H+](Cc1csc(C#N)c1)C2 ZINC000894423997 619530533 /nfs/dbraw/zinc/53/05/33/619530533.db2.gz VFZFTHGBKSIIAP-UHFFFAOYSA-N 1 1 276.405 3.011 20 30 CGEDMO C=CC[C@H]([NH2+][C@H](C)c1cn(C(C)C)nn1)c1ccncc1 ZINC000925075507 619568780 /nfs/dbraw/zinc/56/87/80/619568780.db2.gz OZKVKUBHXVOFHJ-HIFRSBDPSA-N 1 1 285.395 3.222 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000894648586 619594939 /nfs/dbraw/zinc/59/49/39/619594939.db2.gz IQRZSGKEEJBPCD-MOPGFXCFSA-N 1 1 296.414 3.319 20 30 CGEDMO Cc1n[nH]c(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1C ZINC000895055301 619702969 /nfs/dbraw/zinc/70/29/69/619702969.db2.gz KYPIFTPDUDXUEA-CYBMUJFWSA-N 1 1 268.364 3.091 20 30 CGEDMO Cc1n[nH]c(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c1C ZINC000895055301 619702972 /nfs/dbraw/zinc/70/29/72/619702972.db2.gz KYPIFTPDUDXUEA-CYBMUJFWSA-N 1 1 268.364 3.091 20 30 CGEDMO N#CCC1C[NH+](Cc2cccc(Oc3ccccn3)c2)C1 ZINC000895343655 619808903 /nfs/dbraw/zinc/80/89/03/619808903.db2.gz IXRFERNFDIMLFI-UHFFFAOYSA-N 1 1 279.343 3.219 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@H](CCF)C2)cs1 ZINC000895383911 619818076 /nfs/dbraw/zinc/81/80/76/619818076.db2.gz RJXRRUYAIBEKPC-LLVKDONJSA-N 1 1 252.358 3.191 20 30 CGEDMO N#CC1(c2ccc(C[N@@H+]3CCC[C@H](CF)C3)cc2)CC1 ZINC000895543463 619846476 /nfs/dbraw/zinc/84/64/76/619846476.db2.gz BRUJBSAAKLDXCP-OAHLLOKOSA-N 1 1 272.367 3.423 20 30 CGEDMO C[C@H](CCC#N)CN1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000895551273 619848651 /nfs/dbraw/zinc/84/86/51/619848651.db2.gz HRZGWCDQXUHJKK-IAGOWNOFSA-N 1 1 285.435 3.305 20 30 CGEDMO COc1ccc(C[NH2+]Cc2ccc(SC)c(C#N)c2)o1 ZINC000896045036 619935664 /nfs/dbraw/zinc/93/56/64/619935664.db2.gz BNHMPOQHRMBYCH-UHFFFAOYSA-N 1 1 288.372 3.172 20 30 CGEDMO C#Cc1ccc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000897136054 620151039 /nfs/dbraw/zinc/15/10/39/620151039.db2.gz GPKNDMMMNCKRFW-UONOGXRCSA-N 1 1 274.795 3.360 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)[C@H]2CCCC3(CC3)C2)CC1 ZINC000985433961 620188885 /nfs/dbraw/zinc/18/88/85/620188885.db2.gz QUXLOJNXVPFRGH-HNNXBMFYSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@H]2CC)CC1 ZINC000985636293 620224087 /nfs/dbraw/zinc/22/40/87/620224087.db2.gz IQIBJYLQKMBQMR-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H](C)C2CCCC2)CC1 ZINC000985746870 620234957 /nfs/dbraw/zinc/23/49/57/620234957.db2.gz MRADUEFMXYAUSY-OAHLLOKOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2CC[C@H](C)CC2)CC1 ZINC000985759446 620235947 /nfs/dbraw/zinc/23/59/47/620235947.db2.gz JODFHTBXOOVNRP-WKILWMFISA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)C2CCC=CCC2)CC1 ZINC000985791230 620239554 /nfs/dbraw/zinc/23/95/54/620239554.db2.gz AWPWBQOIQXLVEB-UHFFFAOYSA-N 1 1 290.451 3.232 20 30 CGEDMO N#Cc1cnc(Cl)c(CNc2ccc(C3CC3)c[nH+]2)c1 ZINC000897715028 620422270 /nfs/dbraw/zinc/42/22/70/620422270.db2.gz DBFVOYSAMDRBQM-UHFFFAOYSA-N 1 1 284.750 3.491 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CC[C@H](Cc3nccs3)C2)cc1 ZINC000898071810 620477109 /nfs/dbraw/zinc/47/71/09/620477109.db2.gz UCFXDHGOTPXATO-MRXNPFEDSA-N 1 1 282.412 3.189 20 30 CGEDMO C=CCC[N@H+]1CCCN(C(=O)CCC2CCCCC2)CC1 ZINC000989603261 620518347 /nfs/dbraw/zinc/51/83/47/620518347.db2.gz OEIBEHJVAXJWTR-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C[C@@H](c1ccc(F)nc1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000929162717 620518427 /nfs/dbraw/zinc/51/84/27/620518427.db2.gz SMQDHAKVPQMJED-LBPRGKRZSA-N 1 1 269.323 3.285 20 30 CGEDMO C=CC[N@H+]1CCCN(C(=O)c2cccc3ccccc32)CC1 ZINC000989597794 620518790 /nfs/dbraw/zinc/51/87/90/620518790.db2.gz IQDALAPHVCPKJE-UHFFFAOYSA-N 1 1 294.398 3.174 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)c2ccc(F)s2)CC1 ZINC000989780275 620525077 /nfs/dbraw/zinc/52/50/77/620525077.db2.gz BLGWPTZHZMHMLO-UHFFFAOYSA-N 1 1 296.411 3.001 20 30 CGEDMO C[C@H]([NH2+][C@@H]1CCCc2cccnc21)c1cc(C#N)ccn1 ZINC000927062400 620569484 /nfs/dbraw/zinc/56/94/84/620569484.db2.gz MFSFTXJCRAQGHH-SWLSCSKDSA-N 1 1 278.359 3.076 20 30 CGEDMO C=CC(C)(C)[NH2+]Cc1nccc(C)c1Br ZINC000898460121 620589912 /nfs/dbraw/zinc/58/99/12/620589912.db2.gz CVFFDDSTLBWXJP-UHFFFAOYSA-N 1 1 269.186 3.207 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000898516311 620594988 /nfs/dbraw/zinc/59/49/88/620594988.db2.gz PXEIFYGSNSTMCP-OWCLPIDISA-N 1 1 264.413 3.065 20 30 CGEDMO CCNN=C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000901280927 620848561 /nfs/dbraw/zinc/84/85/61/620848561.db2.gz FRYFSTIDRQZWIT-UHFFFAOYSA-N 1 1 259.397 3.027 20 30 CGEDMO C=C(Br)C[NH2+]Cc1ccccc1NCC ZINC000902198266 621190789 /nfs/dbraw/zinc/19/07/89/621190789.db2.gz BBTIJIOJCJBNLV-UHFFFAOYSA-N 1 1 269.186 3.117 20 30 CGEDMO CC(C)CC(N)=[NH+]OCCCCC1(C#N)CCC1 ZINC000902702714 621407544 /nfs/dbraw/zinc/40/75/44/621407544.db2.gz XDCPDZUESRMZNI-UHFFFAOYSA-N 1 1 251.374 3.395 20 30 CGEDMO CC[C@@H](NC[C@H](C)C[NH+]1CCCC1)c1cccc(C#N)c1 ZINC000902754844 621425302 /nfs/dbraw/zinc/42/53/02/621425302.db2.gz HLRUGDYNRMTTJK-MAUKXSAKSA-N 1 1 285.435 3.331 20 30 CGEDMO CC[C@H]([NH2+]Cc1nccs1)c1cccc(C#N)c1 ZINC000902759074 621429111 /nfs/dbraw/zinc/42/91/11/621429111.db2.gz ONNDJKLELPXTRD-ZDUSSCGKSA-N 1 1 257.362 3.256 20 30 CGEDMO CC[C@@H](N[C@@H]1CC[N@H+](CC2CC2)C1)c1cccc(C#N)c1 ZINC000902797764 621453386 /nfs/dbraw/zinc/45/33/86/621453386.db2.gz YRCPUUFBMGURBB-QZTJIDSGSA-N 1 1 283.419 3.083 20 30 CGEDMO CC[C@@H](N[C@@H]1CC[N@@H+](CC2CC2)C1)c1cccc(C#N)c1 ZINC000902797764 621453389 /nfs/dbraw/zinc/45/33/89/621453389.db2.gz YRCPUUFBMGURBB-QZTJIDSGSA-N 1 1 283.419 3.083 20 30 CGEDMO COC(=O)c1ccc2c(c1)[C@H]([NH2+]CC1(C#N)CCC1)CCC2 ZINC000903034700 621536360 /nfs/dbraw/zinc/53/63/60/621536360.db2.gz BEKKKIFQNXFPHY-MRXNPFEDSA-N 1 1 298.386 3.134 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CCC1)c1ccc2c(c1)COC2 ZINC000903032750 621536442 /nfs/dbraw/zinc/53/64/42/621536442.db2.gz WUGIQAZXULVCKT-GFCCVEGCSA-N 1 1 256.349 3.061 20 30 CGEDMO CC[C@@H]([NH2+]CC1(C#N)CCC1)c1ccc(C(=O)OC)cc1 ZINC000903035418 621537321 /nfs/dbraw/zinc/53/73/21/621537321.db2.gz OUQQBMVYQZFVBI-OAHLLOKOSA-N 1 1 286.375 3.208 20 30 CGEDMO N#CC1(C[NH2+][C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000903101196 621574619 /nfs/dbraw/zinc/57/46/19/621574619.db2.gz BZLKEXVXIOLVLG-CYBMUJFWSA-N 1 1 291.192 3.330 20 30 CGEDMO C[C@H]([NH2+]CC(C)(C)C#N)c1nccc2ccccc21 ZINC000903102092 621575872 /nfs/dbraw/zinc/57/58/72/621575872.db2.gz RZURVVARRQOBIA-LBPRGKRZSA-N 1 1 253.349 3.435 20 30 CGEDMO N#CC1(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000903105389 621578551 /nfs/dbraw/zinc/57/85/51/621578551.db2.gz BUIFUEVNYBBEKC-OAHLLOKOSA-N 1 1 285.347 3.256 20 30 CGEDMO N#CC1(C[NH2+][C@H]2CCc3ccc(Br)cc32)CC1 ZINC000903106258 621580057 /nfs/dbraw/zinc/58/00/57/621580057.db2.gz NPFWIMDLEUXEGI-ZDUSSCGKSA-N 1 1 291.192 3.330 20 30 CGEDMO CC(C)n1cc([C@@H](C)[NH2+]CC2(C#N)CCCC2)cn1 ZINC000903108161 621581524 /nfs/dbraw/zinc/58/15/24/621581524.db2.gz NYSNJQOVVQKOSR-CYBMUJFWSA-N 1 1 260.385 3.199 20 30 CGEDMO C=CCC[C@@H]([NH2+]Cc1cnn(C)n1)c1cccc(Cl)c1 ZINC000903171052 621619400 /nfs/dbraw/zinc/61/94/00/621619400.db2.gz MHRXMWLIWROVSV-OAHLLOKOSA-N 1 1 290.798 3.266 20 30 CGEDMO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1nc3c(s1)CCC3)CC2 ZINC000903191329 621628209 /nfs/dbraw/zinc/62/82/09/621628209.db2.gz TXOAGUPZTZBAHB-AWEZNQCLSA-N 1 1 295.411 3.281 20 30 CGEDMO C[C@@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1ccc([N+](=O)[O-])cc1 ZINC000903286567 621669553 /nfs/dbraw/zinc/66/95/53/621669553.db2.gz BGGGHSXCZYFYGF-NEPJUHHUSA-N 1 1 296.330 3.273 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(Cc2ccccc2OC)no1 ZINC000904514106 621928225 /nfs/dbraw/zinc/92/82/25/621928225.db2.gz LSWWGBMRGFNNPU-ZDUSSCGKSA-N 1 1 287.363 3.025 20 30 CGEDMO CCCCCCCC[C@H]([NH3+])c1nc(Cc2ccon2)no1 ZINC000904608357 621945034 /nfs/dbraw/zinc/94/50/34/621945034.db2.gz ZUWCRLAAGGWMMN-ZDUSSCGKSA-N 1 1 292.383 3.399 20 30 CGEDMO CCCCCCCC[C@@H]([NH3+])c1nc(-c2cocn2)no1 ZINC000904688472 621954129 /nfs/dbraw/zinc/95/41/29/621954129.db2.gz BNAPASNQMBULPD-LLVKDONJSA-N 1 1 278.356 3.475 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2cc(C)oc2C)no1 ZINC000904695624 621959785 /nfs/dbraw/zinc/95/97/85/621959785.db2.gz RRQSYYLTDCRQHU-GFCCVEGCSA-N 1 1 261.325 3.303 20 30 CGEDMO N#Cc1sccc1-c1ccc(CC[NH+]2CCOCC2)cc1 ZINC000904895462 622021378 /nfs/dbraw/zinc/02/13/78/622021378.db2.gz PLHMLQFPVKKMOD-UHFFFAOYSA-N 1 1 298.411 3.161 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000163955391 622809218 /nfs/dbraw/zinc/80/92/18/622809218.db2.gz GXAWNEUZICQSGY-UHFFFAOYSA-N 1 1 258.148 3.117 20 30 CGEDMO C=CCc1cc(C[N@@H+](CC)CC2CC2)c(O)c(OC)c1 ZINC000164326760 622828131 /nfs/dbraw/zinc/82/81/31/622828131.db2.gz WXASODANDJKJNG-UHFFFAOYSA-N 1 1 275.392 3.361 20 30 CGEDMO C=CCc1cc(C[N@H+]2CC[C@H](C)[C@H]2C)c(O)c(OC)c1 ZINC000164452382 622836031 /nfs/dbraw/zinc/83/60/31/622836031.db2.gz HTGQLCYPPJNZLD-QWHCGFSZSA-N 1 1 275.392 3.360 20 30 CGEDMO C=CCc1cc(C[N@@H+]2CC[C@H](CC)C2)c(O)c(OC)c1 ZINC000164476689 622836809 /nfs/dbraw/zinc/83/68/09/622836809.db2.gz UAALOJHDMHGNSA-ZDUSSCGKSA-N 1 1 275.392 3.361 20 30 CGEDMO C#C[C@H](C)[NH2+]Cc1ccc(Cl)cc1Br ZINC000166356176 622882030 /nfs/dbraw/zinc/88/20/30/622882030.db2.gz UNEDNHXHXKYECV-QMMMGPOBSA-N 1 1 272.573 3.214 20 30 CGEDMO CCCCCCC[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC000157311954 622898454 /nfs/dbraw/zinc/89/84/54/622898454.db2.gz SJDACLMCLIYNGQ-UHFFFAOYSA-N 1 1 278.396 3.008 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000045796825 622898545 /nfs/dbraw/zinc/89/85/45/622898545.db2.gz XEEXWVWKJUYWDE-GOSISDBHSA-N 1 1 267.372 3.408 20 30 CGEDMO CCCCC(N)=[NH+]OCc1csc(C(C)(C)C)n1 ZINC000063460026 623328029 /nfs/dbraw/zinc/32/80/29/623328029.db2.gz QBYPJGBJTRWGII-UHFFFAOYSA-N 1 1 269.414 3.420 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC3(C)C)CCC[C@@H]12 ZINC000992117872 623440772 /nfs/dbraw/zinc/44/07/72/623440772.db2.gz JHUGJRLMKBGFSQ-IIDMSEBBSA-N 1 1 290.451 3.112 20 30 CGEDMO C[C@H]1CC(=NOCC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000758906313 623515776 /nfs/dbraw/zinc/51/57/76/623515776.db2.gz DXWQFCJDZJJGDE-LBPRGKRZSA-N 1 1 282.334 3.309 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H](C)c3ccccc3)CCC[C@H]12 ZINC000992429666 623554693 /nfs/dbraw/zinc/55/46/93/623554693.db2.gz MQVLUYWMXZJLSQ-VDZJLULYSA-N 1 1 298.430 3.089 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)C3CCC=CCC3)CCC[C@@H]12 ZINC000992492832 623601814 /nfs/dbraw/zinc/60/18/14/623601814.db2.gz HYECTCIPIUZTQE-SJLPKXTDSA-N 1 1 288.435 3.032 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2occc2C)[C@H]1C ZINC000993041801 623801861 /nfs/dbraw/zinc/80/18/61/623801861.db2.gz UAYRYONGGIRETL-HUUCEWRRSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C=C2CCCCC2)[C@H]1C ZINC000993080291 623822057 /nfs/dbraw/zinc/82/20/57/623822057.db2.gz NZCYIBQUCAEULG-NVXWUHKLSA-N 1 1 290.451 3.422 20 30 CGEDMO C[C@@H]1[N@@H+](CCCCC2(C#N)CCC2)CCOC1(C)C ZINC000929840988 623840853 /nfs/dbraw/zinc/84/08/53/623840853.db2.gz JANRSGFZJDVKBJ-AWEZNQCLSA-N 1 1 264.413 3.350 20 30 CGEDMO CCCCCCCCN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000915224011 623921311 /nfs/dbraw/zinc/92/13/11/623921311.db2.gz ZDPNXNRHTJYRPV-QGZVFWFLSA-N 1 1 282.472 3.144 20 30 CGEDMO C#CC[N@H+](Cc1cc(Cl)c(OCC)c(OC)c1)C1CC1 ZINC000764677055 623933287 /nfs/dbraw/zinc/93/32/87/623933287.db2.gz RQZARQJFOQPASA-UHFFFAOYSA-N 1 1 293.794 3.345 20 30 CGEDMO CCOc1ccccc1C[NH2+]Cc1csc(C#N)c1 ZINC000921577387 625689278 /nfs/dbraw/zinc/68/92/78/625689278.db2.gz DUHCXSVCIBTNFH-UHFFFAOYSA-N 1 1 272.373 3.308 20 30 CGEDMO CC#CCC[N@H+]1CCCC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000764955464 623971026 /nfs/dbraw/zinc/97/10/26/623971026.db2.gz YWYMDZPCKLPEOO-LSDHHAIUSA-N 1 1 294.439 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccoc2Cl)[C@@H]1C ZINC000993218665 623980144 /nfs/dbraw/zinc/98/01/44/623980144.db2.gz QXMJGLWBIGNLRB-AAEUAGOBSA-N 1 1 296.798 3.092 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccoc2Cl)[C@H]1C ZINC000993251899 623995930 /nfs/dbraw/zinc/99/59/30/623995930.db2.gz ACIQEMHPPXOTEO-YPMHNXCESA-N 1 1 296.798 3.092 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2c(C)coc2C)[C@@H]1C ZINC000993278543 623997367 /nfs/dbraw/zinc/99/73/67/623997367.db2.gz JIKCCROAXGIVGI-DZGCQCFKSA-N 1 1 290.407 3.055 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccoc2CC)[C@H]1C ZINC000993271838 623998242 /nfs/dbraw/zinc/99/82/42/623998242.db2.gz XNPHIFGNHPQZMJ-UKRRQHHQSA-N 1 1 290.407 3.001 20 30 CGEDMO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CCCC)[C@@H]2C)cc1 ZINC000993673708 624057561 /nfs/dbraw/zinc/05/75/61/624057561.db2.gz RJYUMHZSXZSMDF-CRAIPNDOSA-N 1 1 298.430 3.051 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C2CCC(=C)CC2)[C@H]1C ZINC000993777485 624062891 /nfs/dbraw/zinc/06/28/91/624062891.db2.gz QRVBWEFHBQCTPA-WBVHZDCISA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2occc2CC)[C@@H]1C ZINC000993788784 624063885 /nfs/dbraw/zinc/06/38/85/624063885.db2.gz LDUWWUOEJSZNEW-ZFWWWQNUSA-N 1 1 290.407 3.001 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](C/C=C\Cl)[C@@H]2C)C1 ZINC000993795486 624063970 /nfs/dbraw/zinc/06/39/70/624063970.db2.gz XTGXDEZDOJPIBP-KMVAXQJASA-N 1 1 296.842 3.064 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](C/C=C\Cl)[C@@H]2C)C1 ZINC000993795486 624063973 /nfs/dbraw/zinc/06/39/73/624063973.db2.gz XTGXDEZDOJPIBP-KMVAXQJASA-N 1 1 296.842 3.064 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C(C)C)c2)[C@@H]1C ZINC000994149470 624069881 /nfs/dbraw/zinc/06/98/81/624069881.db2.gz QVCOPQYEYBVHQN-YJBOKZPZSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@H]1C ZINC000994251574 624129449 /nfs/dbraw/zinc/12/94/49/624129449.db2.gz NAHVRPLKYGGWMB-QBPKDAKJSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@H+](CC(=O)N1c2ccccc2CC[C@H]1C)C(C)C ZINC000917071511 624234104 /nfs/dbraw/zinc/23/41/04/624234104.db2.gz UAMVJENBPXTVOK-OAHLLOKOSA-N 1 1 286.419 3.251 20 30 CGEDMO C=CC[N@@H+](CC(=O)N1c2ccccc2CC[C@H]1C)C(C)C ZINC000917071511 624234106 /nfs/dbraw/zinc/23/41/06/624234106.db2.gz UAMVJENBPXTVOK-OAHLLOKOSA-N 1 1 286.419 3.251 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(F)s2)[C@@H]1C ZINC000994503111 624244051 /nfs/dbraw/zinc/24/40/51/624244051.db2.gz DTGVWRBSIZKHEM-NWDGAFQWSA-N 1 1 296.411 3.046 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2coc3ccccc23)[C@@H]1C ZINC000994521659 624266993 /nfs/dbraw/zinc/26/69/93/624266993.db2.gz ASGQRMWQYNWCHM-XJKSGUPXSA-N 1 1 298.386 3.202 20 30 CGEDMO N#CC1CCC(C[N@@H+]2CCc3ccc(O)cc3C2)CC1 ZINC000929992665 624305625 /nfs/dbraw/zinc/30/56/25/624305625.db2.gz URBSZEGSYVSNNT-UHFFFAOYSA-N 1 1 270.376 3.080 20 30 CGEDMO CC[N@H+](C[C@@H](C)C#N)C[C@@H](O)c1ccc2ccccc2c1 ZINC000920087380 624447367 /nfs/dbraw/zinc/44/73/67/624447367.db2.gz QCUPMALTKWJWEH-KBXCAEBGSA-N 1 1 282.387 3.355 20 30 CGEDMO CC[N@@H+](C[C@@H](C)C#N)C[C@@H](O)c1ccc2ccccc2c1 ZINC000920087380 624447369 /nfs/dbraw/zinc/44/73/69/624447369.db2.gz QCUPMALTKWJWEH-KBXCAEBGSA-N 1 1 282.387 3.355 20 30 CGEDMO C#CCCCCC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000179828316 624688578 /nfs/dbraw/zinc/68/85/78/624688578.db2.gz WRPMBHOWOYPOQM-IYBDPMFKSA-N 1 1 292.467 3.053 20 30 CGEDMO CC(C)CC[N@@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000180046904 624707979 /nfs/dbraw/zinc/70/79/79/624707979.db2.gz IVRYRYPKEMGJMV-CQSZACIVSA-N 1 1 260.381 3.455 20 30 CGEDMO C=CCn1c(C)nn(C[NH+]2CCCCCCC2)c1=S ZINC000070697983 625028526 /nfs/dbraw/zinc/02/85/26/625028526.db2.gz MQZMEKGLAMRKKE-UHFFFAOYSA-N 1 1 280.441 3.132 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C(F)F)c2)C1 ZINC001016057376 625758219 /nfs/dbraw/zinc/75/82/19/625758219.db2.gz KXMWDLUEXBXWJK-CQSZACIVSA-N 1 1 294.345 3.004 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2oc3ccccc3c2C)C1 ZINC001016181828 625858382 /nfs/dbraw/zinc/85/83/82/625858382.db2.gz ZHETYIVRIZLUOT-AWEZNQCLSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)C2CCCCCC2)CC1 ZINC001002442901 625929526 /nfs/dbraw/zinc/92/95/26/625929526.db2.gz BCVLTEFSNWFDTL-UHFFFAOYSA-N 1 1 298.858 3.290 20 30 CGEDMO N#Cc1cc(C[NH2+][C@H]2C[C@@]2(F)c2ccccc2)cs1 ZINC000922197693 625982574 /nfs/dbraw/zinc/98/25/74/625982574.db2.gz JVWPNKCPQDIVOM-LSDHHAIUSA-N 1 1 272.348 3.347 20 30 CGEDMO N#Cc1cc(C[NH2+]CC2(C#N)CCCCC2)cs1 ZINC000922250687 625990538 /nfs/dbraw/zinc/99/05/38/625990538.db2.gz SSHVEZHIFNFAGN-UHFFFAOYSA-N 1 1 259.378 3.183 20 30 CGEDMO COc1ccc([C@H](C)[NH2+]Cc2nc(C#N)cs2)cc1C ZINC000922672281 626030045 /nfs/dbraw/zinc/03/00/45/626030045.db2.gz PTPWFTDFAAEOQY-NSHDSACASA-N 1 1 287.388 3.183 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCC)CC1 ZINC001004326943 626037988 /nfs/dbraw/zinc/03/79/88/626037988.db2.gz PKIKMVSPIOBKRE-OAHLLOKOSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@]2(C)C=CCC2)CC1 ZINC001005841284 626108235 /nfs/dbraw/zinc/10/82/35/626108235.db2.gz PZIBIYZPHHZAOD-MRXNPFEDSA-N 1 1 296.842 3.018 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H](COC(=O)CCCCCC#N)C1 ZINC000842830572 626227472 /nfs/dbraw/zinc/22/74/72/626227472.db2.gz NSMIPBVZGCAMHH-HNNXBMFYSA-N 1 1 280.412 3.124 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1N1CCO[C@H](C)C1)C(C)C ZINC000838795246 626249431 /nfs/dbraw/zinc/24/94/31/626249431.db2.gz XNRVLNPVAQFECT-MRXNPFEDSA-N 1 1 288.435 3.308 20 30 CGEDMO C=CC[N@H+](C[C@H](O)COc1ccc(SC)cc1)C(C)C ZINC000839467727 626354805 /nfs/dbraw/zinc/35/48/05/626354805.db2.gz YVNXOHLUHARIOM-AWEZNQCLSA-N 1 1 295.448 3.045 20 30 CGEDMO CCCCCCCCNC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000754864929 626590966 /nfs/dbraw/zinc/59/09/66/626590966.db2.gz IDHJYJFPVFOCDE-INIZCTEOSA-N 1 1 297.487 3.376 20 30 CGEDMO C#CCCC[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC000755195608 626606295 /nfs/dbraw/zinc/60/62/95/626606295.db2.gz OXCYDJKRTSRONS-UHFFFAOYSA-N 1 1 284.172 3.433 20 30 CGEDMO C=CCc1cc(C[N@@H+]2CC=C(C)CC2)c(O)c(OC)c1 ZINC000755768486 626644279 /nfs/dbraw/zinc/64/42/79/626644279.db2.gz PSDGDHCCEWGAGE-UHFFFAOYSA-N 1 1 273.376 3.281 20 30 CGEDMO C[C@@H]1C[N@H+](C2CC2)CC1N=Nc1ccccc1Cl ZINC000755870888 626655583 /nfs/dbraw/zinc/65/55/83/626655583.db2.gz AJXQPVHMMCUUJJ-SNVBAGLBSA-N 1 1 263.772 3.222 20 30 CGEDMO C[C@H]1C[N@H+](C2CC2)CC1N=Nc1nccc2sccc21 ZINC000755890587 626655936 /nfs/dbraw/zinc/65/59/36/626655936.db2.gz NHHKZLTUYSSSCE-JTQLQIEISA-N 1 1 286.404 3.178 20 30 CGEDMO Cc1cc(C)cc(N=NC2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000755886094 626656478 /nfs/dbraw/zinc/65/64/78/626656478.db2.gz KBFVHRLCORVLPF-CYBMUJFWSA-N 1 1 257.381 3.185 20 30 CGEDMO CC[C@@H]1CC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000755924689 626661337 /nfs/dbraw/zinc/66/13/37/626661337.db2.gz PDKLVXIQWYSDOE-CQSZACIVSA-N 1 1 280.375 3.111 20 30 CGEDMO C#CC[N@@H+](CC#CC)Cc1ccc2nc(C)sc2c1 ZINC000756080668 626675085 /nfs/dbraw/zinc/67/50/85/626675085.db2.gz QWAPVUYBWJQTTJ-UHFFFAOYSA-N 1 1 268.385 3.063 20 30 CGEDMO C#CC[N@H+](CC#CC)Cc1ccc2nc(C)sc2c1 ZINC000756080668 626675086 /nfs/dbraw/zinc/67/50/86/626675086.db2.gz QWAPVUYBWJQTTJ-UHFFFAOYSA-N 1 1 268.385 3.063 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)Cc2ccc(C)cn2)cc1 ZINC000809652455 626676984 /nfs/dbraw/zinc/67/69/84/626676984.db2.gz VLKBLXULLLUCTB-UHFFFAOYSA-N 1 1 250.345 3.003 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(-n2cccn2)cc1)C1CCCC1 ZINC000756910474 626741109 /nfs/dbraw/zinc/74/11/09/626741109.db2.gz AMDIWPNOQFGKQB-UHFFFAOYSA-N 1 1 279.387 3.250 20 30 CGEDMO C=CC[N@H+](CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000839535054 626758763 /nfs/dbraw/zinc/75/87/63/626758763.db2.gz GMAKGJSWJWIVBT-CQSZACIVSA-N 1 1 294.439 3.284 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CC[C@@H](CC(C)(C)C)C1(C)C ZINC000839667739 626773748 /nfs/dbraw/zinc/77/37/48/626773748.db2.gz ZAXOHLUBYNJFEW-KBPBESRZSA-N 1 1 266.429 3.452 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000839647070 626774243 /nfs/dbraw/zinc/77/42/43/626774243.db2.gz UCZMPRRIUSSDHL-NVXWUHKLSA-N 1 1 284.403 3.185 20 30 CGEDMO C=C(C)C[NH+]1CCC(NCc2cnc(Cl)c(C)c2)CC1 ZINC000760669671 626984241 /nfs/dbraw/zinc/98/42/41/626984241.db2.gz LNLIXIOKOHZYTC-UHFFFAOYSA-N 1 1 293.842 3.174 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)Cc1ccc(N(CC)CC)cc1 ZINC000760806937 626992867 /nfs/dbraw/zinc/99/28/67/626992867.db2.gz RBLWCFOSRABEFT-GOSISDBHSA-N 1 1 290.451 3.292 20 30 CGEDMO C#CCC[N@H+](C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000760818697 626993760 /nfs/dbraw/zinc/99/37/60/626993760.db2.gz JHBZDKVFBHNYOZ-UHFFFAOYSA-N 1 1 281.403 3.253 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000760848258 626996287 /nfs/dbraw/zinc/99/62/87/626996287.db2.gz VAPLBPLDMIDGDY-LBPRGKRZSA-N 1 1 284.186 3.470 20 30 CGEDMO C[N@@H+](Cc1cc(Cl)ccc1OCC#N)[C@H]1CCSC1 ZINC000760886202 627000176 /nfs/dbraw/zinc/00/01/76/627000176.db2.gz MLWDGZSQYWSSTA-ZDUSSCGKSA-N 1 1 296.823 3.180 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000760934184 627003642 /nfs/dbraw/zinc/00/36/42/627003642.db2.gz VDSXLKJITVFCNH-SFHVURJKSA-N 1 1 290.451 3.290 20 30 CGEDMO N#CCOc1ccc(CNc2[nH]c3ccccc3[nH+]2)cc1 ZINC000762519743 627114435 /nfs/dbraw/zinc/11/44/35/627114435.db2.gz GXZUYFYEFHQSAU-UHFFFAOYSA-N 1 1 278.315 3.077 20 30 CGEDMO CC[C@H](C)[C@H]1CCCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000763242112 627146384 /nfs/dbraw/zinc/14/63/84/627146384.db2.gz RYUIZFVIHFQXLQ-BMGDILEWSA-N 1 1 286.419 3.492 20 30 CGEDMO CC[C@@H](C)C[N@H+](CC)[C@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000764282864 627202659 /nfs/dbraw/zinc/20/26/59/627202659.db2.gz JNRCXOCQWXXQLI-CJNGLKHVSA-N 1 1 288.391 3.140 20 30 CGEDMO CC[C@@H](C)C[N@@H+](CC)[C@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000764282864 627202661 /nfs/dbraw/zinc/20/26/61/627202661.db2.gz JNRCXOCQWXXQLI-CJNGLKHVSA-N 1 1 288.391 3.140 20 30 CGEDMO Cc1cc(C)c(N=NC2CC[N@H+]3CCC[C@H]23)c(C)c1 ZINC000765581184 627260873 /nfs/dbraw/zinc/26/08/73/627260873.db2.gz OPIYJXJQUJANST-OAHLLOKOSA-N 1 1 257.381 3.248 20 30 CGEDMO C#CCN(CC[C@H]1CCC[N@@H+]1C)[C@H]1CCc2ccccc21 ZINC000767363929 627401750 /nfs/dbraw/zinc/40/17/50/627401750.db2.gz MDGBMBMXUDRGHC-MJGOQNOKSA-N 1 1 282.431 3.093 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+](CC)CC(=C)C)cc1 ZINC000768140653 627462864 /nfs/dbraw/zinc/46/28/64/627462864.db2.gz RHLQDLVTEDOKTR-UHFFFAOYSA-N 1 1 257.377 3.487 20 30 CGEDMO Cc1cccc(C[N@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)n1 ZINC000769479317 627558330 /nfs/dbraw/zinc/55/83/30/627558330.db2.gz HOQUFTLIBQHYPQ-HNNXBMFYSA-N 1 1 295.386 3.313 20 30 CGEDMO C#CC[N@H+](Cc1cc(Cl)ccc1O)C1CCCC1 ZINC000769530382 627563169 /nfs/dbraw/zinc/56/31/69/627563169.db2.gz MPNVOOXOLFXAFG-UHFFFAOYSA-N 1 1 263.768 3.423 20 30 CGEDMO CN1c2ccccc2C(C)(C)/C1=C/C=[NH+]NCC(F)(F)F ZINC000769809060 627579919 /nfs/dbraw/zinc/57/99/19/627579919.db2.gz XDVLDEGAJGYQDC-BSVWGCMESA-N 1 1 297.324 3.436 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(SC(F)F)cc1 ZINC000769954165 627592526 /nfs/dbraw/zinc/59/25/26/627592526.db2.gz SGUBLMZPPLJUMH-SNVBAGLBSA-N 1 1 255.333 3.455 20 30 CGEDMO N#C[C@H]1CC[C@@H](NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000769999620 627596935 /nfs/dbraw/zinc/59/69/35/627596935.db2.gz APSMCTJVRUWDPC-FUHWJXTLSA-N 1 1 289.467 3.313 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000770287086 627612083 /nfs/dbraw/zinc/61/20/83/627612083.db2.gz VMVPUFSVKPFXBC-MJGOQNOKSA-N 1 1 299.414 3.090 20 30 CGEDMO Cc1cc(C[NH2+]Cc2ccc(C#N)cc2F)c(C)o1 ZINC000772922358 627833193 /nfs/dbraw/zinc/83/31/93/627833193.db2.gz YSOLOJSBOTVUSQ-UHFFFAOYSA-N 1 1 258.296 3.197 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(Br)c(C)c1 ZINC000775182551 628069369 /nfs/dbraw/zinc/06/93/69/628069369.db2.gz CEUDRSYEKOLQKK-LLVKDONJSA-N 1 1 266.182 3.211 20 30 CGEDMO C[C@H]1CCC[N@@H+]1CCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000775396060 628090233 /nfs/dbraw/zinc/09/02/33/628090233.db2.gz WYOBDWVKNJXVPX-KSSFIOAISA-N 1 1 283.419 3.010 20 30 CGEDMO C[C@H]1CCC[N@H+]1CCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000775396060 628090235 /nfs/dbraw/zinc/09/02/35/628090235.db2.gz WYOBDWVKNJXVPX-KSSFIOAISA-N 1 1 283.419 3.010 20 30 CGEDMO C#C[C@H]([NH2+][C@H](C)c1ccc2ccccc2n1)[C@H]1CCCO1 ZINC000775573102 628109717 /nfs/dbraw/zinc/10/97/17/628109717.db2.gz GELXKDGNDJTTML-QIIPPGSGSA-N 1 1 280.371 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000775591208 628111848 /nfs/dbraw/zinc/11/18/48/628111848.db2.gz WIJREEFQTWBNLU-AWEZNQCLSA-N 1 1 282.428 3.332 20 30 CGEDMO Cc1[nH+]ccn1CC(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000776858425 628236606 /nfs/dbraw/zinc/23/66/06/628236606.db2.gz BWLAFVGODJORTP-GZTJUZNOSA-N 1 1 295.386 3.072 20 30 CGEDMO C=C(C)C[N@H+](C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000777961007 628315320 /nfs/dbraw/zinc/31/53/20/628315320.db2.gz QGPNESGVKVGPNM-UHFFFAOYSA-N 1 1 294.742 3.063 20 30 CGEDMO C=C(C)C[N@@H+](C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000777961007 628315323 /nfs/dbraw/zinc/31/53/23/628315323.db2.gz QGPNESGVKVGPNM-UHFFFAOYSA-N 1 1 294.742 3.063 20 30 CGEDMO CC[C@@H]1C[C@H](C[N@@H+](CCC#N)CC(C)C)CCO1 ZINC000780755535 628514475 /nfs/dbraw/zinc/51/44/75/628514475.db2.gz WPLAFOUBBSEHMA-HUUCEWRRSA-N 1 1 252.402 3.063 20 30 CGEDMO C[C@@H]1C[C@@H](C)CCC1=[NH+]n1cc(Br)cn1 ZINC000783856432 628751764 /nfs/dbraw/zinc/75/17/64/628751764.db2.gz CHDYIWUXJZEZSE-DTWKUNHWSA-N 1 1 270.174 3.306 20 30 CGEDMO C=CCOCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788732899 629076873 /nfs/dbraw/zinc/07/68/73/629076873.db2.gz GOJFQJPRXJOWOL-SNVBAGLBSA-N 1 1 289.297 3.264 20 30 CGEDMO C[N@H+]1CC[C@@H](Nc2ccc(F)cc2OCC#N)CC1(C)C ZINC000862303137 629342889 /nfs/dbraw/zinc/34/28/89/629342889.db2.gz KYQXGJDLLNBNRS-CYBMUJFWSA-N 1 1 291.370 3.013 20 30 CGEDMO Cc1c(F)nccc1C[NH2+]CC1(C#N)CCCCC1 ZINC000862416063 629368950 /nfs/dbraw/zinc/36/89/50/629368950.db2.gz LQTLQMJRXTWGSS-UHFFFAOYSA-N 1 1 261.344 3.093 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1csc(C(F)(F)F)c1 ZINC000862419057 629369378 /nfs/dbraw/zinc/36/93/78/629369378.db2.gz VILKFCOYYZIJBO-UHFFFAOYSA-N 1 1 291.338 3.239 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000862443018 629375088 /nfs/dbraw/zinc/37/50/88/629375088.db2.gz KPEGKQGFBBEARS-HNNXBMFYSA-N 1 1 286.394 3.271 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(OC)c(OCC(=C)C)c2)C1 ZINC000862443214 629376081 /nfs/dbraw/zinc/37/60/81/629376081.db2.gz LWQQCDBTLRKXKQ-INIZCTEOSA-N 1 1 299.414 3.495 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000862444521 629378183 /nfs/dbraw/zinc/37/81/83/629378183.db2.gz BHBAYPWTVJWENQ-LBPRGKRZSA-N 1 1 257.308 3.417 20 30 CGEDMO C#CC[C@H]1CC[N@H+](C[C@H](C)c2ccc(OC)cc2)C1 ZINC000862445219 629378498 /nfs/dbraw/zinc/37/84/98/629378498.db2.gz OMGDOUSUVLIRPN-GJZGRUSLSA-N 1 1 257.377 3.144 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc3nc(C)ccc3c2)C1 ZINC000862445074 629378755 /nfs/dbraw/zinc/37/87/55/629378755.db2.gz LIUMPCPNDBVHJD-HNNXBMFYSA-N 1 1 264.372 3.388 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC000862445403 629379027 /nfs/dbraw/zinc/37/90/27/629379027.db2.gz SJWHQPVANXGAIT-NSHDSACASA-N 1 1 251.732 3.324 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000862446650 629379676 /nfs/dbraw/zinc/37/96/76/629379676.db2.gz CCIWZNHJUSWSIJ-XTKXOIQPSA-N 1 1 268.404 3.111 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2cccc(C)c2)C1 ZINC000862445377 629380193 /nfs/dbraw/zinc/38/01/93/629380193.db2.gz RYASVHZWQPMQEJ-OAHLLOKOSA-N 1 1 279.387 3.230 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000862448044 629381028 /nfs/dbraw/zinc/38/10/28/629381028.db2.gz VTDMVFDTMMVGCD-LBPRGKRZSA-N 1 1 292.304 3.422 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000862447552 629381832 /nfs/dbraw/zinc/38/18/32/629381832.db2.gz NYUFIOUEUYPOKB-OAHLLOKOSA-N 1 1 266.388 3.333 20 30 CGEDMO C=CCCCCC[NH+]1CC(O)(c2ccc(F)cc2)C1 ZINC000792876429 629390037 /nfs/dbraw/zinc/39/00/37/629390037.db2.gz XRAJSMFFRGIAMA-UHFFFAOYSA-N 1 1 263.356 3.075 20 30 CGEDMO CSCCON=C(C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000794572245 629557762 /nfs/dbraw/zinc/55/77/62/629557762.db2.gz MRDYOIIENXDSAK-UHFFFAOYSA-N 1 1 289.404 3.284 20 30 CGEDMO CCCCCCC[NH2+][C@H](c1ncc[nH]1)c1cccnc1 ZINC000794813719 629581161 /nfs/dbraw/zinc/58/11/61/629581161.db2.gz CDWSPMAYZHLLTF-HNNXBMFYSA-N 1 1 272.396 3.454 20 30 CGEDMO C[C@H](O[NH+]=C(N)CCC(F)(F)F)c1cccc(C#N)c1 ZINC000863490173 629588854 /nfs/dbraw/zinc/58/88/54/629588854.db2.gz IGVBIMMDUYMINM-VIFPVBQESA-N 1 1 285.269 3.460 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795134013 629635046 /nfs/dbraw/zinc/63/50/46/629635046.db2.gz VWZLFUBMAYELIX-GJZGRUSLSA-N 1 1 294.439 3.284 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+]1CCn2c(Br)cnc2C1 ZINC000796043595 629739178 /nfs/dbraw/zinc/73/91/78/629739178.db2.gz LEVSATRQEJPDQD-NSHDSACASA-N 1 1 298.228 3.206 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCn2c(Br)cnc2C1 ZINC000796043595 629739184 /nfs/dbraw/zinc/73/91/84/629739184.db2.gz LEVSATRQEJPDQD-NSHDSACASA-N 1 1 298.228 3.206 20 30 CGEDMO C#CC[C@@H](NCc1ncc(C[NH+](C)C)s1)c1ccccc1 ZINC000796340008 629768337 /nfs/dbraw/zinc/76/83/37/629768337.db2.gz HFLZEUWMMZWFMI-MRXNPFEDSA-N 1 1 299.443 3.059 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](CC)O[C@]2(CCOC2)C1 ZINC000796557763 629800194 /nfs/dbraw/zinc/80/01/94/629800194.db2.gz VYUUZKDCCSSYPR-HZPDHXFCSA-N 1 1 269.429 3.227 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H](CC)O[C@@]2(CCOC2)C1 ZINC000796557760 629800368 /nfs/dbraw/zinc/80/03/68/629800368.db2.gz VYUUZKDCCSSYPR-HOTGVXAUSA-N 1 1 269.429 3.227 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000796685298 629814480 /nfs/dbraw/zinc/81/44/80/629814480.db2.gz ZBZNWWZCPRVJCL-MRXNPFEDSA-N 1 1 294.439 3.476 20 30 CGEDMO CC[C@H]([NH2+]CC1(CC#N)CC1)c1ccc(F)cc1O ZINC000796978070 629867964 /nfs/dbraw/zinc/86/79/64/629867964.db2.gz LVHLZHBQADVDEI-ZDUSSCGKSA-N 1 1 262.328 3.266 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CC(C)=C[C@@H](C)C2)cc1 ZINC000797605011 629969782 /nfs/dbraw/zinc/96/97/82/629969782.db2.gz LFMXPJWKGZFWRS-CQSZACIVSA-N 1 1 255.361 3.097 20 30 CGEDMO CC1=C[C@@H](C)C[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000797605663 629970058 /nfs/dbraw/zinc/97/00/58/629970058.db2.gz UFDLSWRHSSUGGB-HIFRSBDPSA-N 1 1 270.376 3.375 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@H+]2CCC=C(C)C2)c1O ZINC000797822092 629987556 /nfs/dbraw/zinc/98/75/56/629987556.db2.gz JEDRPMPYFAQRAP-UHFFFAOYSA-N 1 1 273.376 3.281 20 30 CGEDMO C#CC[N@H+](CCCN(C)C(=O)OC(C)(C)C)C1CCCC1 ZINC000797967204 630010320 /nfs/dbraw/zinc/01/03/20/630010320.db2.gz JGRQHPSBWACTJX-UHFFFAOYSA-N 1 1 294.439 3.121 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000799190599 630155904 /nfs/dbraw/zinc/15/59/04/630155904.db2.gz RQZYOMVXUHHONL-AWEZNQCLSA-N 1 1 281.334 3.082 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000799190599 630155909 /nfs/dbraw/zinc/15/59/09/630155909.db2.gz RQZYOMVXUHHONL-AWEZNQCLSA-N 1 1 281.334 3.082 20 30 CGEDMO C=CC[C@@H]([NH2+][C@@H](C)c1cc(C)n(C)n1)c1ccncc1 ZINC000800478735 630284397 /nfs/dbraw/zinc/28/43/97/630284397.db2.gz QNHQHIVLMDJBJN-DZGCQCFKSA-N 1 1 270.380 3.092 20 30 CGEDMO C=CC[C@H]([NH2+][C@@H](C)c1cc(C)n(C)n1)c1ccncc1 ZINC000800478738 630284448 /nfs/dbraw/zinc/28/44/48/630284448.db2.gz QNHQHIVLMDJBJN-ZFWWWQNUSA-N 1 1 270.380 3.092 20 30 CGEDMO CC[N@@H+](CCO[C@@H](C)C#N)[C@@H](C)c1ccc(F)cc1 ZINC000801915393 630365972 /nfs/dbraw/zinc/36/59/72/630365972.db2.gz JYOQWBPEUSRFMR-STQMWFEESA-N 1 1 264.344 3.137 20 30 CGEDMO COc1ccccc1[C@H]1CCCC[N@H+]1CCO[C@H](C)C#N ZINC000801919017 630366581 /nfs/dbraw/zinc/36/65/81/630366581.db2.gz FWZUHYWUXLGEAO-GDBMZVCRSA-N 1 1 288.391 3.151 20 30 CGEDMO C=CC[N@H+](Cc1cc(C(=O)OC)c(CC)o1)C(C)C ZINC000802638903 630400407 /nfs/dbraw/zinc/40/04/07/630400407.db2.gz YJGKVNRCFIQHNT-UHFFFAOYSA-N 1 1 265.353 3.025 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@H+](C)CC(C)(C)C#N)c1O ZINC000840073781 630576447 /nfs/dbraw/zinc/57/64/47/630576447.db2.gz OQHLCBKQZMFSEH-UHFFFAOYSA-N 1 1 288.391 3.111 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@@H+](C)CC(C)(C)C#N)c1O ZINC000840073781 630576450 /nfs/dbraw/zinc/57/64/50/630576450.db2.gz OQHLCBKQZMFSEH-UHFFFAOYSA-N 1 1 288.391 3.111 20 30 CGEDMO C=C(CNc1nc(N2CCCC2)cc[nH+]1)c1ccccc1 ZINC000808073874 630620672 /nfs/dbraw/zinc/62/06/72/630620672.db2.gz SJEOZJAKYSOOFH-UHFFFAOYSA-N 1 1 280.375 3.202 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)CCC1(C)C ZINC000808140372 630626154 /nfs/dbraw/zinc/62/61/54/630626154.db2.gz HCXAWNBDGJXGNB-UHFFFAOYSA-N 1 1 299.418 3.129 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)CCC1(C)C ZINC000808140372 630626155 /nfs/dbraw/zinc/62/61/55/630626155.db2.gz HCXAWNBDGJXGNB-UHFFFAOYSA-N 1 1 299.418 3.129 20 30 CGEDMO C=C(C)C[N@H+](C)CN1CCN(c2ccc(Cl)cc2)C1=O ZINC000808176351 630629171 /nfs/dbraw/zinc/62/91/71/630629171.db2.gz FOZRTBRGWQPUIU-UHFFFAOYSA-N 1 1 293.798 3.047 20 30 CGEDMO C=C(C)C[N@@H+](C)CN1CCN(c2ccc(Cl)cc2)C1=O ZINC000808176351 630629173 /nfs/dbraw/zinc/62/91/73/630629173.db2.gz FOZRTBRGWQPUIU-UHFFFAOYSA-N 1 1 293.798 3.047 20 30 CGEDMO C=CC[N@@H+](CCC(=O)C(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000808713110 630669233 /nfs/dbraw/zinc/66/92/33/630669233.db2.gz LFBPICSEFRECPF-UHFFFAOYSA-N 1 1 290.363 3.198 20 30 CGEDMO C=CC[N@H+](CCC(=O)C(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000808713110 630669236 /nfs/dbraw/zinc/66/92/36/630669236.db2.gz LFBPICSEFRECPF-UHFFFAOYSA-N 1 1 290.363 3.198 20 30 CGEDMO CCc1ccc([C@@H]2CCCCC[N@H+]2C[C@H](O)CC#N)o1 ZINC000809574370 630751800 /nfs/dbraw/zinc/75/18/00/630751800.db2.gz JXZPHWRZRXGTLG-HIFRSBDPSA-N 1 1 276.380 3.034 20 30 CGEDMO C#Cc1ccc(C[N@@H+](CCCO)Cc2ccccc2)cc1 ZINC000809566651 630752168 /nfs/dbraw/zinc/75/21/68/630752168.db2.gz QAQYZQXFRATKOE-UHFFFAOYSA-N 1 1 279.383 3.053 20 30 CGEDMO C#Cc1ccc(CNCC(C)(C)[NH+]2CCCCC2)cc1 ZINC000809602453 630758964 /nfs/dbraw/zinc/75/89/64/630758964.db2.gz YUNUUQWIVGEUHM-UHFFFAOYSA-N 1 1 270.420 3.022 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1O ZINC000809718600 630791054 /nfs/dbraw/zinc/79/10/54/630791054.db2.gz WUGSACUZBGEVGW-UHFFFAOYSA-N 1 1 269.319 3.167 20 30 CGEDMO CC[C@](C)([NH2+]Cc1nc(C#N)cs1)c1ccccc1 ZINC000810143312 630845809 /nfs/dbraw/zinc/84/58/09/630845809.db2.gz FAZCYLFJRWHDJJ-HNNXBMFYSA-N 1 1 271.389 3.430 20 30 CGEDMO C=C[C@@](C)(CC)COC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810709213 630931472 /nfs/dbraw/zinc/93/14/72/630931472.db2.gz UGVDFYNHUSHEDW-JKSUJKDBSA-N 1 1 285.403 3.344 20 30 CGEDMO C=C[C@@](C)(CC)COC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810709211 630931764 /nfs/dbraw/zinc/93/17/64/630931764.db2.gz UGVDFYNHUSHEDW-HOTGVXAUSA-N 1 1 285.403 3.344 20 30 CGEDMO C=CCCCCCCCNC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000811589553 631087852 /nfs/dbraw/zinc/08/78/52/631087852.db2.gz ARUBHIBQUADSAA-INIZCTEOSA-N 1 1 278.440 3.256 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)CC1(COC)CCC1 ZINC000812823953 631319758 /nfs/dbraw/zinc/31/97/58/631319758.db2.gz BPYUYNVLXNDANQ-UHFFFAOYSA-N 1 1 275.367 3.078 20 30 CGEDMO N#CCC1CC[NH+](Cc2cncc(C(F)(F)F)c2)CC1 ZINC000812832351 631321967 /nfs/dbraw/zinc/32/19/67/631321967.db2.gz KNQOJQPXNPUZIM-UHFFFAOYSA-N 1 1 283.297 3.226 20 30 CGEDMO CCOc1ccc(N=NC2C[N@H+](C(C)C)C[C@@H]2C)cc1 ZINC000814984411 631701044 /nfs/dbraw/zinc/70/10/44/631701044.db2.gz ZVSNBELPUIEWMM-ZDUSSCGKSA-N 1 1 275.396 3.213 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@@H](N(C)c2ccc(C)cc2)C1 ZINC000815089587 631714879 /nfs/dbraw/zinc/71/48/79/631714879.db2.gz DXWDOAPCLHHKGA-GOSISDBHSA-N 1 1 288.435 3.098 20 30 CGEDMO COc1ccc(F)c(C[NH2+]Cc2cc(C#N)ccc2F)c1 ZINC000815127501 631724078 /nfs/dbraw/zinc/72/40/78/631724078.db2.gz UXPPLMSEYOLKHN-UHFFFAOYSA-N 1 1 288.297 3.135 20 30 CGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CC[C@H](C3CCCC3)C2)cc1 ZINC000817283370 632115522 /nfs/dbraw/zinc/11/55/22/632115522.db2.gz UBEUSHVXKOBRGZ-ZWKOTPCHSA-N 1 1 284.403 3.104 20 30 CGEDMO CC(C)c1noc([C@H](C)[N@H+](C)CCc2cccc(C#N)c2)n1 ZINC000879435236 635786633 /nfs/dbraw/zinc/78/66/33/635786633.db2.gz XDTDEORNEREYMI-ZDUSSCGKSA-N 1 1 298.390 3.300 20 30 CGEDMO CC(C)c1noc([C@H](C)[N@@H+](C)CCc2cccc(C#N)c2)n1 ZINC000879435236 635786640 /nfs/dbraw/zinc/78/66/40/635786640.db2.gz XDTDEORNEREYMI-ZDUSSCGKSA-N 1 1 298.390 3.300 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1ccnc(Cl)c1 ZINC000879433777 635787570 /nfs/dbraw/zinc/78/75/70/635787570.db2.gz FLXCQTMCRBHGNO-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000818346947 632312039 /nfs/dbraw/zinc/31/20/39/632312039.db2.gz LDBRFAJJWYVJOB-ZETOZRRWSA-N 1 1 281.783 3.287 20 30 CGEDMO C=C(C)C(C)(C)C(=O)OC[C@H]1CCC[N@H+]1Cc1ccco1 ZINC000820376169 632614700 /nfs/dbraw/zinc/61/47/00/632614700.db2.gz NGLSFKSGAXWGKE-CQSZACIVSA-N 1 1 291.391 3.390 20 30 CGEDMO CN(C)c1[nH+]cc(/C=C\C(=O)c2cc3ccccc3o2)n1C ZINC000821027463 632714388 /nfs/dbraw/zinc/71/43/88/632714388.db2.gz HNUFLWLEDKRCDU-HJWRWDBZSA-N 1 1 295.342 3.128 20 30 CGEDMO Cc1ccsc1C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866241836 633041146 /nfs/dbraw/zinc/04/11/46/633041146.db2.gz GKFUVRPXVFETGV-NSHDSACASA-N 1 1 272.373 3.485 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCCCCCCO ZINC000823617423 633127369 /nfs/dbraw/zinc/12/73/69/633127369.db2.gz IXFORJVXMHAHMZ-OAHLLOKOSA-N 1 1 274.408 3.494 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(C(=O)OCc2ccccc2)[nH]1 ZINC000824114581 633199729 /nfs/dbraw/zinc/19/97/29/633199729.db2.gz XOSLSGIVTVFHTJ-UHFFFAOYSA-N 1 1 298.386 3.380 20 30 CGEDMO CCn1nc(C)c(C[NH2+][C@H](CCCC#N)c2ccccc2)n1 ZINC000824434525 633244622 /nfs/dbraw/zinc/24/46/22/633244622.db2.gz RAPCDQQNYFOJKO-MRXNPFEDSA-N 1 1 297.406 3.131 20 30 CGEDMO CC[C@@H]1CCC[N@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876613018 634867536 /nfs/dbraw/zinc/86/75/36/634867536.db2.gz FOOHXDYVHSUMEV-LLVKDONJSA-N 1 1 263.772 3.229 20 30 CGEDMO CC[C@@H]1CCC[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876613018 634867538 /nfs/dbraw/zinc/86/75/38/634867538.db2.gz FOOHXDYVHSUMEV-LLVKDONJSA-N 1 1 263.772 3.229 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)cc1 ZINC000826538883 633412417 /nfs/dbraw/zinc/41/24/17/633412417.db2.gz KQQDQXJGNFCDGT-WMZOPIPTSA-N 1 1 283.419 3.411 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000826861057 633437974 /nfs/dbraw/zinc/43/79/74/633437974.db2.gz AGJXFZMWDYOFGV-CABCVRRESA-N 1 1 283.375 3.103 20 30 CGEDMO C=CC1(CC(=O)NC[C@H]2CCCC[N@H+](C)C2)CCCCC1 ZINC000827192617 633469828 /nfs/dbraw/zinc/46/98/28/633469828.db2.gz RLORCEMNPGIIGU-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000827634895 633505787 /nfs/dbraw/zinc/50/57/87/633505787.db2.gz GDXKQBNPHDVVQS-AWEZNQCLSA-N 1 1 282.428 3.189 20 30 CGEDMO C#CCC[N@H+](CCOC)[C@@H](C)CCc1cccc(F)c1 ZINC000827822969 633522116 /nfs/dbraw/zinc/52/21/16/633522116.db2.gz IJAOAUZZFIDSBQ-HNNXBMFYSA-N 1 1 277.383 3.119 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1ccc2nc(C)ccc2c1 ZINC000827822741 633522665 /nfs/dbraw/zinc/52/26/65/633522665.db2.gz DQXOJMKYLJRGOQ-UHFFFAOYSA-N 1 1 282.387 3.015 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1ccc2nc(C)sc2c1 ZINC000827827147 633523061 /nfs/dbraw/zinc/52/30/61/633523061.db2.gz PXXOIFSIHPAABX-UHFFFAOYSA-N 1 1 288.416 3.076 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1C[C@@H]1CN(C2CCCCC2)C(=O)O1 ZINC000828440344 633614281 /nfs/dbraw/zinc/61/42/81/633614281.db2.gz PGMDBOPHUWADLQ-GOEBONIOSA-N 1 1 292.423 3.180 20 30 CGEDMO C[C@]1(C[N@@H+]2CCC[C@@](C)(C#N)C2)CC1(Cl)Cl ZINC000828786022 633653140 /nfs/dbraw/zinc/65/31/40/633653140.db2.gz TURTUYDLDVFPEQ-WDEREUQCSA-N 1 1 261.196 3.196 20 30 CGEDMO C[C@]1(C[N@H+]2CCC[C@@](C)(C#N)C2)CC1(Cl)Cl ZINC000828786022 633653146 /nfs/dbraw/zinc/65/31/46/633653146.db2.gz TURTUYDLDVFPEQ-WDEREUQCSA-N 1 1 261.196 3.196 20 30 CGEDMO CCCCCCC[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000829285187 633720571 /nfs/dbraw/zinc/72/05/71/633720571.db2.gz ANSWTNIPHZLJKW-CQSZACIVSA-N 1 1 257.443 3.165 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2nnc(-c3cc(C)oc3C)o2)C1 ZINC000829774268 633780980 /nfs/dbraw/zinc/78/09/80/633780980.db2.gz OHRGCGMCIHLJHT-CQSZACIVSA-N 1 1 299.374 3.182 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(OC)c(F)c2)C1 ZINC000829774404 633781092 /nfs/dbraw/zinc/78/10/92/633781092.db2.gz PUQTWWIISKIIQD-CYBMUJFWSA-N 1 1 261.340 3.070 20 30 CGEDMO C#CC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000829778545 633781858 /nfs/dbraw/zinc/78/18/58/633781858.db2.gz DUUCUQLUKASVHY-SJORKVTESA-N 1 1 298.430 3.366 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](C[C@H](O)c2cccc(Cl)c2)C1 ZINC000829784912 633784525 /nfs/dbraw/zinc/78/45/25/633784525.db2.gz OCJZHUJNLHGECI-BBRMVZONSA-N 1 1 277.795 3.109 20 30 CGEDMO C#CC[C@H]1CCC[N@H+]([C@@H](C(=O)OCC)c2ccccc2)C1 ZINC000829805600 633790174 /nfs/dbraw/zinc/79/01/74/633790174.db2.gz VMPVATDFPSQELS-DOTOQJQBSA-N 1 1 285.387 3.026 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000832298520 634043423 /nfs/dbraw/zinc/04/34/23/634043423.db2.gz OLBYJRGKRMHGOC-NEPJUHHUSA-N 1 1 267.335 3.202 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000832298522 634043730 /nfs/dbraw/zinc/04/37/30/634043730.db2.gz OLBYJRGKRMHGOC-RYUDHWBXSA-N 1 1 267.335 3.202 20 30 CGEDMO C=C(Cl)C[C@H]([NH3+])c1nc(Cc2cc(C)ccc2C)no1 ZINC000872172516 634076811 /nfs/dbraw/zinc/07/68/11/634076811.db2.gz AUDURFBVOPSRKD-ZDUSSCGKSA-N 1 1 291.782 3.420 20 30 CGEDMO C=C(Cl)C[C@H]([NH3+])c1nc([C@H](C)c2cccs2)no1 ZINC000872176848 634078788 /nfs/dbraw/zinc/07/87/88/634078788.db2.gz YZZMOJIDGWQTHW-BDAKNGLRSA-N 1 1 283.784 3.425 20 30 CGEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2cc(C)cc(C)c2)no1 ZINC000872174641 634079369 /nfs/dbraw/zinc/07/93/69/634079369.db2.gz KIQUSEKQDRARIX-LBPRGKRZSA-N 1 1 277.755 3.496 20 30 CGEDMO FC1(F)CCC[C@H]1CNN=C1CCC[N@H+]2CCCC[C@@H]12 ZINC000872405678 634134818 /nfs/dbraw/zinc/13/48/18/634134818.db2.gz QBVCXURIIKTGDP-JSGCOSHPSA-N 1 1 285.382 3.016 20 30 CGEDMO CSc1nnc(SC)n1[NH+]=C[C@H]1CCCC[C@H]1C ZINC000872417561 634141021 /nfs/dbraw/zinc/14/10/21/634141021.db2.gz FFZUKOLRRIBOLC-NXEZZACHSA-N 1 1 284.454 3.382 20 30 CGEDMO C=CC(C)(C)CCCNC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000872927975 634221933 /nfs/dbraw/zinc/22/19/33/634221933.db2.gz ZDJXCEROGQXNRA-HNNXBMFYSA-N 1 1 295.471 3.008 20 30 CGEDMO C#Cc1ccc(C[NH2+]Cc2noc3c2CC(C)(C)CC3)cc1 ZINC000873174174 634271286 /nfs/dbraw/zinc/27/12/86/634271286.db2.gz CLAGTLPOPNJXJG-UHFFFAOYSA-N 1 1 294.398 3.461 20 30 CGEDMO C#CCCCCCC[N@H+]1CCC[C@H]1CN1CCCC1 ZINC000876644433 634874484 /nfs/dbraw/zinc/87/44/84/634874484.db2.gz GNLQBVUYXPYLFM-KRWDZBQOSA-N 1 1 262.441 3.130 20 30 CGEDMO C#CCCCCCCN1CCC[C@H]1C[NH+]1CCCC1 ZINC000876644433 634874486 /nfs/dbraw/zinc/87/44/86/634874486.db2.gz GNLQBVUYXPYLFM-KRWDZBQOSA-N 1 1 262.441 3.130 20 30 CGEDMO C#CCCCCCC[N@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000876731011 634888557 /nfs/dbraw/zinc/88/85/57/634888557.db2.gz CZBHQVKVRHUNCQ-UHFFFAOYSA-N 1 1 298.390 3.147 20 30 CGEDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000876748253 634891812 /nfs/dbraw/zinc/89/18/12/634891812.db2.gz ZLTJTTXRAAKJFT-ZWNOBZJWSA-N 1 1 263.772 3.227 20 30 CGEDMO C#CCCCCCC[N@@H+](C)[C@@H]1CCN(CC)[C@H](C)C1 ZINC000876757737 634893678 /nfs/dbraw/zinc/89/36/78/634893678.db2.gz FTNVLQRIVNCAAL-IAGOWNOFSA-N 1 1 264.457 3.375 20 30 CGEDMO C#CCCCCCC[N@H+](C)[C@@H]1CCN(CC)[C@H](C)C1 ZINC000876757737 634893682 /nfs/dbraw/zinc/89/36/82/634893682.db2.gz FTNVLQRIVNCAAL-IAGOWNOFSA-N 1 1 264.457 3.375 20 30 CGEDMO CC[N@@H+](C[C@H](C)CCC#N)C[C@@H](O)c1ccc(C)cc1 ZINC000876763362 634895297 /nfs/dbraw/zinc/89/52/97/634895297.db2.gz DVZYODZCOSYIDZ-NVXWUHKLSA-N 1 1 274.408 3.290 20 30 CGEDMO C#CCCCCCC[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000876811027 634903606 /nfs/dbraw/zinc/90/36/06/634903606.db2.gz GFVSHIDSJSPVTR-DLBZAZTESA-N 1 1 263.425 3.319 20 30 CGEDMO C#CCCCCCC[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000876811029 634903707 /nfs/dbraw/zinc/90/37/07/634903707.db2.gz GFVSHIDSJSPVTR-IRXDYDNUSA-N 1 1 263.425 3.319 20 30 CGEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C#CC(C)(C)C)C1 ZINC000837411115 634904510 /nfs/dbraw/zinc/90/45/10/634904510.db2.gz WBULKMLWMIIKIR-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@H]1COC(=O)c1cc(C#N)cs1 ZINC000837565726 634936546 /nfs/dbraw/zinc/93/65/46/634936546.db2.gz IRMCFCWABZVMIB-ZDUSSCGKSA-N 1 1 292.404 3.039 20 30 CGEDMO N#CC1(COC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CCC1 ZINC000837749420 634980129 /nfs/dbraw/zinc/98/01/29/634980129.db2.gz XWQVRKZZJOMQQG-HNNXBMFYSA-N 1 1 290.407 3.021 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cc2c(ccnc2Cl)o1 ZINC000877165632 635004820 /nfs/dbraw/zinc/00/48/20/635004820.db2.gz OKAAUUVORLIQGO-UHFFFAOYSA-N 1 1 250.729 3.489 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCn2c(C(C)C)nnc2[C@H]1C ZINC000877465474 635047663 /nfs/dbraw/zinc/04/76/63/635047663.db2.gz XPWOMDQLDLQLFP-OAHLLOKOSA-N 1 1 288.439 3.362 20 30 CGEDMO C#CCCCCCC[N@H+]1CCn2c(C(C)C)nnc2[C@H]1C ZINC000877465474 635047665 /nfs/dbraw/zinc/04/76/65/635047665.db2.gz XPWOMDQLDLQLFP-OAHLLOKOSA-N 1 1 288.439 3.362 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000877507713 635064722 /nfs/dbraw/zinc/06/47/22/635064722.db2.gz QLURAOFTQXTRJM-UTUOFQBUSA-N 1 1 275.223 3.442 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2N(C)C)CCC1(F)F ZINC000877538773 635078255 /nfs/dbraw/zinc/07/82/55/635078255.db2.gz GQXXMPFAMBIACT-LBPRGKRZSA-N 1 1 293.361 3.101 20 30 CGEDMO C=CCC[C@H]([NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)C(=O)OCC ZINC000877571776 635096891 /nfs/dbraw/zinc/09/68/91/635096891.db2.gz JJYWBNABFZCLJH-KKUMJFAQSA-N 1 1 297.439 3.068 20 30 CGEDMO C=CCOc1ccccc1CNCc1ccc(CC[NH3+])cc1 ZINC000841034973 635109957 /nfs/dbraw/zinc/10/99/57/635109957.db2.gz HTISKOMYDPYAQF-UHFFFAOYSA-N 1 1 296.414 3.042 20 30 CGEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CCC12CCCC2 ZINC000877610665 635111267 /nfs/dbraw/zinc/11/12/67/635111267.db2.gz WVBLSYBAELWRND-UHFFFAOYSA-N 1 1 269.392 3.143 20 30 CGEDMO Cc1c(F)nccc1C[N@@H+](C)CCc1cccc(C#N)c1 ZINC000877704901 635156618 /nfs/dbraw/zinc/15/66/18/635156618.db2.gz PFMXESOJJMNTHG-UHFFFAOYSA-N 1 1 283.350 3.075 20 30 CGEDMO CCc1ncc(C[N@@H+](C)CCc2cccc(C#N)c2)s1 ZINC000877704859 635156993 /nfs/dbraw/zinc/15/69/93/635156993.db2.gz WUMWSRNIFSTTKG-UHFFFAOYSA-N 1 1 285.416 3.252 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2C[C@H](O)CC(C)(C)C2)cc1 ZINC000877751393 635181384 /nfs/dbraw/zinc/18/13/84/635181384.db2.gz DWQAPAKEBVDYGS-MRXNPFEDSA-N 1 1 286.419 3.081 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCC1 ZINC000841899091 635250554 /nfs/dbraw/zinc/25/05/54/635250554.db2.gz SKFCCJWNQCLWMP-UHFFFAOYSA-N 1 1 279.727 3.032 20 30 CGEDMO CC[N@@H+](CC[C@H](O)C(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000877990409 635308865 /nfs/dbraw/zinc/30/88/65/635308865.db2.gz DVTGNQUSCJSQMA-PBHICJAKSA-N 1 1 274.408 3.348 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878120807 635365719 /nfs/dbraw/zinc/36/57/19/635365719.db2.gz BTNPHMSXMXYNJV-SOUVJXGZSA-N 1 1 264.413 3.206 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878120807 635365724 /nfs/dbraw/zinc/36/57/24/635365724.db2.gz BTNPHMSXMXYNJV-SOUVJXGZSA-N 1 1 264.413 3.206 20 30 CGEDMO C=CC[C@@H](C)[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000878159669 635386193 /nfs/dbraw/zinc/38/61/93/635386193.db2.gz QVLBBRWGBOLGOO-LLVKDONJSA-N 1 1 250.411 3.418 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878159908 635386225 /nfs/dbraw/zinc/38/62/25/635386225.db2.gz ZTPOKZCEFOCWGQ-JYJNAYRXSA-N 1 1 264.413 3.206 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878159908 635386233 /nfs/dbraw/zinc/38/62/33/635386233.db2.gz ZTPOKZCEFOCWGQ-JYJNAYRXSA-N 1 1 264.413 3.206 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@@H](C(C)C)C1)c1ccccc1 ZINC000878182758 635398274 /nfs/dbraw/zinc/39/82/74/635398274.db2.gz SYXUHUSKOUPPJL-IEBWSBKVSA-N 1 1 298.430 3.405 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cn2cc(C(C)C)n(C)c2=S)C1 ZINC000842629028 635420091 /nfs/dbraw/zinc/42/00/91/635420091.db2.gz IGSJWDLJKKKQTG-CQSZACIVSA-N 1 1 291.464 3.372 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cn2cc(C(C)C)n(C)c2=S)C1 ZINC000842629027 635421766 /nfs/dbraw/zinc/42/17/66/635421766.db2.gz IGSJWDLJKKKQTG-AWEZNQCLSA-N 1 1 291.464 3.372 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)C(=O)Nc1c(C)cccc1Cl ZINC000878489867 635529126 /nfs/dbraw/zinc/52/91/26/635529126.db2.gz ADCSTSJSNAVSPL-GFCCVEGCSA-N 1 1 280.799 3.483 20 30 CGEDMO CC(C)(C)c1ccc([C@H](O)C[NH2+]C[C@@H](C#N)CCC#N)cc1 ZINC000843083075 635557287 /nfs/dbraw/zinc/55/72/87/635557287.db2.gz WKCSERJGMJORQP-RHSMWYFYSA-N 1 1 299.418 3.051 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cccc(OCC)c2O)C1 ZINC000843424452 635668371 /nfs/dbraw/zinc/66/83/71/635668371.db2.gz UPZMAANANHDWJB-AWEZNQCLSA-N 1 1 273.376 3.026 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cc(OCC)ccc2O)C1 ZINC000843423727 635668491 /nfs/dbraw/zinc/66/84/91/635668491.db2.gz JAWAUIBCPJPHKB-AWEZNQCLSA-N 1 1 273.376 3.026 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cccc(O)c2Cl)C1 ZINC000843423765 635668720 /nfs/dbraw/zinc/66/87/20/635668720.db2.gz QTUNFMFNTUSNMK-LBPRGKRZSA-N 1 1 263.768 3.281 20 30 CGEDMO C#CC1CC[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000843426637 635671174 /nfs/dbraw/zinc/67/11/74/635671174.db2.gz DPJHWLUERMTHIF-UHFFFAOYSA-N 1 1 278.739 3.093 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000879240733 635731720 /nfs/dbraw/zinc/73/17/20/635731720.db2.gz FWLGTWQMXLZTFP-GDBMZVCRSA-N 1 1 290.451 3.064 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@H]3CSC[C@@H]3C2)cc1C#N ZINC000879566079 635812522 /nfs/dbraw/zinc/81/25/22/635812522.db2.gz ZTLPFDVPGQFJOL-HOCLYGCPSA-N 1 1 272.417 3.052 20 30 CGEDMO C=CC[C@H](C)[N@@H+]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC000879636117 635823439 /nfs/dbraw/zinc/82/34/39/635823439.db2.gz HHSWCPSIFIXOJR-BBRMVZONSA-N 1 1 261.365 3.033 20 30 CGEDMO CC(C)CC(N)=[NH+]OCc1nnc(-c2ccccc2)s1 ZINC000127924440 635833528 /nfs/dbraw/zinc/83/35/28/635833528.db2.gz RQOIQPSFOLIJKG-UHFFFAOYSA-N 1 1 290.392 3.040 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](c2ccccc2OC)CC1 ZINC000879730482 635845313 /nfs/dbraw/zinc/84/53/13/635845313.db2.gz CGEFVLOMTIVYQX-OAHLLOKOSA-N 1 1 257.377 3.288 20 30 CGEDMO CC(C)C[C@H](C)C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844367940 635882510 /nfs/dbraw/zinc/88/25/10/635882510.db2.gz DGEDPGVMYBBAJA-YOEHRIQHSA-N 1 1 274.408 3.206 20 30 CGEDMO N#CCCCC[N@@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000844373062 635884300 /nfs/dbraw/zinc/88/43/00/635884300.db2.gz JCJCYDHQTXEWRI-MRXNPFEDSA-N 1 1 292.810 3.317 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000879963850 635890040 /nfs/dbraw/zinc/89/00/40/635890040.db2.gz QBVMIAYXPYIARA-CZUORRHYSA-N 1 1 272.392 3.102 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@@]2(CCc3ccccc32)C1 ZINC000879997011 635893039 /nfs/dbraw/zinc/89/30/39/635893039.db2.gz LYGMLQWQDDFEBD-YOEHRIQHSA-N 1 1 254.377 3.269 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844436743 635901450 /nfs/dbraw/zinc/90/14/50/635901450.db2.gz QYVOBBKZTMUOFY-CQSZACIVSA-N 1 1 262.303 3.179 20 30 CGEDMO Cc1nccnc1[C@@H](C)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC000880106910 635915477 /nfs/dbraw/zinc/91/54/77/635915477.db2.gz PCEFBCYIAAQRMG-GFCCVEGCSA-N 1 1 285.778 3.141 20 30 CGEDMO C=C[C@H](C)ON=C(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000844621909 635944864 /nfs/dbraw/zinc/94/48/64/635944864.db2.gz PNIQBHCEOOHUCF-WMLDXEAASA-N 1 1 272.392 3.476 20 30 CGEDMO CCCC(N)=[NH+]OCc1cccc(OCC(F)(F)F)c1 ZINC000105605851 635959735 /nfs/dbraw/zinc/95/97/35/635959735.db2.gz DCVAIRAWHRMCJA-UHFFFAOYSA-N 1 1 290.285 3.217 20 30 CGEDMO C=CCCC[C@H]([NH2+]Cc1nncn1C)c1ccccc1 ZINC000880389403 635992039 /nfs/dbraw/zinc/99/20/39/635992039.db2.gz STCPVHNLBNAWED-HNNXBMFYSA-N 1 1 270.380 3.002 20 30 CGEDMO CC[N@H+](Cc1ccccc1C#N)[C@@H](CO)c1ccccc1 ZINC000880460757 636004933 /nfs/dbraw/zinc/00/49/33/636004933.db2.gz ZKYDPKRNXFARDM-SFHVURJKSA-N 1 1 280.371 3.114 20 30 CGEDMO CC[N@@H+](Cc1ccccc1C#N)[C@@H](CO)c1ccccc1 ZINC000880460757 636004936 /nfs/dbraw/zinc/00/49/36/636004936.db2.gz ZKYDPKRNXFARDM-SFHVURJKSA-N 1 1 280.371 3.114 20 30 CGEDMO C#CC[N@@H+](Cc1cc(OC)ccn1)[C@H]1CCc2ccccc21 ZINC000128467677 636010937 /nfs/dbraw/zinc/01/09/37/636010937.db2.gz OTBMTHOMIWGVAW-IBGZPJMESA-N 1 1 292.382 3.213 20 30 CGEDMO C#CC[N@H+](Cc1cc(OC)ccn1)[C@H]1CCc2ccccc21 ZINC000128467677 636010941 /nfs/dbraw/zinc/01/09/41/636010941.db2.gz OTBMTHOMIWGVAW-IBGZPJMESA-N 1 1 292.382 3.213 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCCC[C@@H](C3CCOCC3)C2)C1 ZINC000880577774 636026005 /nfs/dbraw/zinc/02/60/05/636026005.db2.gz KSQCLTGOCXQPDC-DJIMGWMZSA-N 1 1 276.424 3.207 20 30 CGEDMO CC(C)c1ncc(C[NH2+]CC2(C#N)CCCC2)s1 ZINC000846010021 636129111 /nfs/dbraw/zinc/12/91/11/636129111.db2.gz HAMDEEIBIFJEFL-UHFFFAOYSA-N 1 1 263.410 3.440 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000846106348 636143953 /nfs/dbraw/zinc/14/39/53/636143953.db2.gz AAOPLCQGGMHOMN-MRXNPFEDSA-N 1 1 291.341 3.320 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](CC[C@@H](C)OCc2ccccc2)C1 ZINC000847017926 636311477 /nfs/dbraw/zinc/31/14/77/636311477.db2.gz FQDYEHAOBBJORT-IAGOWNOFSA-N 1 1 271.404 3.327 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(C(C)C)nc2C)C1 ZINC000847017242 636311497 /nfs/dbraw/zinc/31/14/97/636311497.db2.gz AHDIBCMVIRMNFI-HNNXBMFYSA-N 1 1 256.393 3.359 20 30 CGEDMO C#C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000847018474 636311775 /nfs/dbraw/zinc/31/17/75/636311775.db2.gz KFIXSZYGULEETD-ZDUSSCGKSA-N 1 1 290.794 3.014 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000847019551 636312159 /nfs/dbraw/zinc/31/21/59/636312159.db2.gz RIJHSKHMPLCIES-INIZCTEOSA-N 1 1 279.387 3.026 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000847022765 636313876 /nfs/dbraw/zinc/31/38/76/636313876.db2.gz XJGZFTFBZGXOLZ-AWEZNQCLSA-N 1 1 250.345 3.080 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000847023063 636315344 /nfs/dbraw/zinc/31/53/44/636315344.db2.gz APIWOESYCIDVQR-CYBMUJFWSA-N 1 1 288.778 3.088 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000847023063 636315349 /nfs/dbraw/zinc/31/53/49/636315349.db2.gz APIWOESYCIDVQR-CYBMUJFWSA-N 1 1 288.778 3.088 20 30 CGEDMO C#C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000847023412 636316076 /nfs/dbraw/zinc/31/60/76/636316076.db2.gz MJUJDOWYBNKWMN-IRXDYDNUSA-N 1 1 298.430 3.284 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000847023412 636316080 /nfs/dbraw/zinc/31/60/80/636316080.db2.gz MJUJDOWYBNKWMN-IRXDYDNUSA-N 1 1 298.430 3.284 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC000847027744 636316999 /nfs/dbraw/zinc/31/69/99/636316999.db2.gz WLMBXSDLPDWQNI-LSDHHAIUSA-N 1 1 295.386 3.451 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC000847027744 636317003 /nfs/dbraw/zinc/31/70/03/636317003.db2.gz WLMBXSDLPDWQNI-LSDHHAIUSA-N 1 1 295.386 3.451 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cc(C(C)=O)ccc2OCC)C1 ZINC000847029227 636319262 /nfs/dbraw/zinc/31/92/62/636319262.db2.gz MBEOAIGRXJIPOL-HNNXBMFYSA-N 1 1 285.387 3.133 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(C(C)=O)ccc2OCC)C1 ZINC000847029227 636319267 /nfs/dbraw/zinc/31/92/67/636319267.db2.gz MBEOAIGRXJIPOL-HNNXBMFYSA-N 1 1 285.387 3.133 20 30 CGEDMO C=C(Br)C[NH2+]Cc1cccc(Cl)c1F ZINC000131129210 636560906 /nfs/dbraw/zinc/56/09/06/636560906.db2.gz HXXQSOGOJAGWTQ-UHFFFAOYSA-N 1 1 278.552 3.477 20 30 CGEDMO Fc1cccc(N=NC2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000848402807 636567383 /nfs/dbraw/zinc/56/73/83/636567383.db2.gz IAESXRLLCZRMDM-HNNXBMFYSA-N 1 1 261.344 3.242 20 30 CGEDMO C=CCC[C@@H]([NH2+]C1CCN(C(C)(C)C)CC1)[C@@H]1CCCO1 ZINC000883201187 636582535 /nfs/dbraw/zinc/58/25/35/636582535.db2.gz ZWBLNVOZMMBDMP-SJORKVTESA-N 1 1 294.483 3.353 20 30 CGEDMO Cc1cc(F)ccc1-c1noc([C@@H]([NH3+])CCCCC#N)n1 ZINC000848620311 636620147 /nfs/dbraw/zinc/62/01/47/636620147.db2.gz BTWJNRYRAGNAJO-ZDUSSCGKSA-N 1 1 288.326 3.268 20 30 CGEDMO N#CCCCC[C@@H]([NH3+])c1nc(-c2ccc3[nH]ccc3c2)no1 ZINC000848622502 636621386 /nfs/dbraw/zinc/62/13/86/636621386.db2.gz XPLANEFVGXKRDE-CYBMUJFWSA-N 1 1 295.346 3.302 20 30 CGEDMO N#CCCCC[C@@H]([NH3+])c1nc(-c2cc(F)cc(F)c2)no1 ZINC000848621252 636621408 /nfs/dbraw/zinc/62/14/08/636621408.db2.gz KMNVKDNLQNURHZ-GFCCVEGCSA-N 1 1 292.289 3.099 20 30 CGEDMO N#CCCCC[C@@H]([NH3+])c1nc([C@H]2CCc3ccccc32)no1 ZINC000848622135 636621490 /nfs/dbraw/zinc/62/14/90/636621490.db2.gz SENQVIRMOSDFBN-LSDHHAIUSA-N 1 1 296.374 3.231 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(OC(C)C)c(OC)c2)C1 ZINC000848923835 636695281 /nfs/dbraw/zinc/69/52/81/636695281.db2.gz QXZRQEMYCJRFDJ-HNNXBMFYSA-N 1 1 287.403 3.328 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000848924276 636696153 /nfs/dbraw/zinc/69/61/53/636696153.db2.gz OZJMODHYPBEWLQ-QKIRZYONSA-N 1 1 268.404 3.111 20 30 CGEDMO CCOc1ccc(O)c(/C=N\C[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000849169719 636762479 /nfs/dbraw/zinc/76/24/79/636762479.db2.gz HVQKEJZVNLKBFA-JVVDOCDTSA-N 1 1 290.407 3.083 20 30 CGEDMO CC(C)(C)[N@H+]1CC[C@H]1CN=Cc1cc2ccccc2[nH]c1=O ZINC000849171490 636763737 /nfs/dbraw/zinc/76/37/37/636763737.db2.gz XQXUFWJBONPUME-VUQQOUJSSA-N 1 1 297.402 3.232 20 30 CGEDMO C=CCC[NH2+]Cc1cc(C)cc(Br)c1O ZINC000850354678 637024933 /nfs/dbraw/zinc/02/49/33/637024933.db2.gz UGFRDCZWIAHRIG-UHFFFAOYSA-N 1 1 270.170 3.129 20 30 CGEDMO C#Cc1ccc(CN[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000850382801 637040777 /nfs/dbraw/zinc/04/07/77/637040777.db2.gz XXFFKGPAMRWNHV-GOSISDBHSA-N 1 1 282.431 3.165 20 30 CGEDMO C#Cc1ccc(C[NH2+][C@@H]2CCN(C3CCCCC3)C2)cc1 ZINC000850382801 637040781 /nfs/dbraw/zinc/04/07/81/637040781.db2.gz XXFFKGPAMRWNHV-GOSISDBHSA-N 1 1 282.431 3.165 20 30 CGEDMO C[N@@H+](Cc1ccccc1O)Cc1ccc(C#N)cc1F ZINC000109771369 637267257 /nfs/dbraw/zinc/26/72/57/637267257.db2.gz AHNYOLGELQTUFF-UHFFFAOYSA-N 1 1 270.307 3.035 20 30 CGEDMO C#Cc1ccc(NC(=O)C[N@H+](C)CC(C)(C)C)c(Cl)c1 ZINC000885669620 637281458 /nfs/dbraw/zinc/28/14/58/637281458.db2.gz JZLJUGAFRMCJLI-UHFFFAOYSA-N 1 1 292.810 3.238 20 30 CGEDMO C=C(Br)C[NH2+]Cc1ccc(F)cc1Cl ZINC000136052591 637285453 /nfs/dbraw/zinc/28/54/53/637285453.db2.gz LIKWMCLXCZOCFE-UHFFFAOYSA-N 1 1 278.552 3.477 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)C[C@H](O)CC1(C#N)CCC1 ZINC000885933513 637320112 /nfs/dbraw/zinc/32/01/12/637320112.db2.gz WMLVUCSFYJKECF-CQSZACIVSA-N 1 1 290.432 3.181 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)C[C@H]1C[C@@]12CCOC2 ZINC000886030696 637375747 /nfs/dbraw/zinc/37/57/47/637375747.db2.gz RUBVKNJSBRXOPE-HZPDHXFCSA-N 1 1 264.413 3.065 20 30 CGEDMO Cc1cc(C)c2c(c1)C[N@H+](C[C@@H](O)CC1(C#N)CCC1)CC2 ZINC000886145282 637434236 /nfs/dbraw/zinc/43/42/36/637434236.db2.gz UDBVTLILLFDKOJ-KRWDZBQOSA-N 1 1 298.430 3.106 20 30 CGEDMO Cc1cc(C)cc(C[N@@H+](C)C[C@@H](O)CC2(C#N)CCC2)c1 ZINC000886173566 637447505 /nfs/dbraw/zinc/44/75/05/637447505.db2.gz SVPLPDWUGGBKAE-KRWDZBQOSA-N 1 1 286.419 3.180 20 30 CGEDMO C#CCOCC[N@H+](Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000851712893 637471237 /nfs/dbraw/zinc/47/12/37/637471237.db2.gz VDECEJUUSOQRMO-CJNGLKHVSA-N 1 1 273.376 3.017 20 30 CGEDMO C[C@@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCC2)CCc2ccccc21 ZINC000886267477 637472997 /nfs/dbraw/zinc/47/29/97/637472997.db2.gz NSAUUTBHBHCVOB-NVXWUHKLSA-N 1 1 298.430 3.093 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@H+]2CCCC[C@@H]2C2CCC2)CCC1 ZINC000886267094 637473670 /nfs/dbraw/zinc/47/36/70/637473670.db2.gz FYUNDNYCPPAHRM-HZPDHXFCSA-N 1 1 276.424 3.086 20 30 CGEDMO N#CC1(C[C@H](O)C[N@H+]2CC3CC2(c2ccccc2)C3)CCC1 ZINC000886289598 637487081 /nfs/dbraw/zinc/48/70/81/637487081.db2.gz YYSPVVSBSHDVLD-RMXPPQQLSA-N 1 1 296.414 3.052 20 30 CGEDMO C/C=C\C[C@@H]1CCC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886303835 637491628 /nfs/dbraw/zinc/49/16/28/637491628.db2.gz HHHMUOLSNKPIHY-JIYQYTEPSA-N 1 1 276.424 3.109 20 30 CGEDMO C#CCOCC[N@@H+]1CC[C@H](C)C[C@@H]1c1ccc(C)o1 ZINC000851792195 637505329 /nfs/dbraw/zinc/50/53/29/637505329.db2.gz JMQBHGFNMDOQDS-DZGCQCFKSA-N 1 1 261.365 3.011 20 30 CGEDMO C#CC[C@H]1CC[N@H+](CC(=O)Nc2ccccc2C(C)C)C1 ZINC000886353157 637509595 /nfs/dbraw/zinc/50/95/95/637509595.db2.gz CNLZDVTWQUDOAM-HNNXBMFYSA-N 1 1 284.403 3.094 20 30 CGEDMO C#CC[C@H]1CC[N@H+]([C@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC000886358128 637513214 /nfs/dbraw/zinc/51/32/14/637513214.db2.gz PSRNSCBDKZWXIX-OLZOCXBDSA-N 1 1 260.381 3.378 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2nc3cc(C)ccc3s2)C1 ZINC000886366039 637515779 /nfs/dbraw/zinc/51/57/79/637515779.db2.gz VTPGLYQCLPCWPV-ZDUSSCGKSA-N 1 1 270.401 3.450 20 30 CGEDMO CC[N@@H+](CCCCC#N)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000886412393 637525431 /nfs/dbraw/zinc/52/54/31/637525431.db2.gz FUPCZXLPNAQENK-CQSZACIVSA-N 1 1 295.427 3.012 20 30 CGEDMO C=CC[C@H]1[N@@H+](CCC(OC)OC)CCCC1(C)C ZINC000851990560 637566094 /nfs/dbraw/zinc/56/60/94/637566094.db2.gz UQTIGNJXQGDXDJ-CYBMUJFWSA-N 1 1 255.402 3.062 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+]Cc1coc(-c2ccc(OC)cc2)n1 ZINC000852098496 637593268 /nfs/dbraw/zinc/59/32/68/637593268.db2.gz OTQZLJFHQDWLOO-KRWDZBQOSA-N 1 1 284.359 3.242 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+]Cc1ncc(-c2ccc(OC)cc2)o1 ZINC000852100608 637594698 /nfs/dbraw/zinc/59/46/98/637594698.db2.gz YTGFTYVFOJHRKJ-KRWDZBQOSA-N 1 1 284.359 3.242 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC[C@H]1COC(C)(C)O1 ZINC000852191805 637611599 /nfs/dbraw/zinc/61/15/99/637611599.db2.gz KPWJSRVHJPIGBX-CJNGLKHVSA-N 1 1 288.391 3.093 20 30 CGEDMO CC(C)Oc1ccc(CO[NH+]=C(N)C2CCCC2)cc1 ZINC000110470514 637613982 /nfs/dbraw/zinc/61/39/82/637613982.db2.gz AEBNRIDWJZVIRW-UHFFFAOYSA-N 1 1 276.380 3.453 20 30 CGEDMO C=C(CC)C[N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C ZINC000852307308 637631878 /nfs/dbraw/zinc/63/18/78/637631878.db2.gz UFWWDRFFQOOYKZ-UHFFFAOYSA-N 1 1 270.417 3.188 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852333947 637637077 /nfs/dbraw/zinc/63/70/77/637637077.db2.gz ZDRLRHPHFKQLOE-KRWDZBQOSA-N 1 1 269.392 3.295 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852333947 637637085 /nfs/dbraw/zinc/63/70/85/637637085.db2.gz ZDRLRHPHFKQLOE-KRWDZBQOSA-N 1 1 269.392 3.295 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2nnc(C(C)(C)C)o2)C1 ZINC000852410125 637646461 /nfs/dbraw/zinc/64/64/61/637646461.db2.gz IQUWAVLHIOXZRW-GFCCVEGCSA-N 1 1 263.385 3.155 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2nnc(C(C)(C)C)o2)C1 ZINC000852410125 637646470 /nfs/dbraw/zinc/64/64/70/637646470.db2.gz IQUWAVLHIOXZRW-GFCCVEGCSA-N 1 1 263.385 3.155 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](C[C@H](O)c2ccccc2C)C1 ZINC000852410037 637647541 /nfs/dbraw/zinc/64/75/41/637647541.db2.gz GJHDUWHIDITCRL-RDJZCZTQSA-N 1 1 259.393 3.317 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](C[C@H](O)c2ccc(F)cc2F)C1 ZINC000852411932 637648825 /nfs/dbraw/zinc/64/88/25/637648825.db2.gz WRLBJORKAZCATD-LRDDRELGSA-N 1 1 281.346 3.286 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](C[C@H](O)c2ccccc2F)C1 ZINC000852410542 637649908 /nfs/dbraw/zinc/64/99/08/637649908.db2.gz NFDFGMWCLOMNJU-CJNGLKHVSA-N 1 1 263.356 3.147 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc(F)c2)C1 ZINC000852412233 637649945 /nfs/dbraw/zinc/64/99/45/637649945.db2.gz ZUMOGGSSHMUXMU-CZUORRHYSA-N 1 1 263.356 3.147 20 30 CGEDMO Cc1csc(C[C@@H]2CCC[N@@H+](CC3(CC#N)CC3)C2)n1 ZINC000886691482 637657254 /nfs/dbraw/zinc/65/72/54/637657254.db2.gz FIBASJWFIUTGAF-AWEZNQCLSA-N 1 1 289.448 3.400 20 30 CGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CC[C@@H](C3CCCCC3)C2)cc1 ZINC000852488806 637662758 /nfs/dbraw/zinc/66/27/58/637662758.db2.gz AVGRFHFIYHZQRX-RTBURBONSA-N 1 1 298.430 3.494 20 30 CGEDMO C#CCCC[N@@H+]1CC[C@@](C)(c2cccc(OC)c2)C1 ZINC000852535437 637674671 /nfs/dbraw/zinc/67/46/71/637674671.db2.gz DCGSZDKKCIMBCO-QGZVFWFLSA-N 1 1 257.377 3.072 20 30 CGEDMO C=CC[N@@H+](Cc1cc(=O)oc2cc(O)ccc12)C(C)(C)C ZINC000852554309 637676813 /nfs/dbraw/zinc/67/68/13/637676813.db2.gz IUVDFQJDFXBUIH-UHFFFAOYSA-N 1 1 287.359 3.285 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)OC(C)(C)C)C(C)(C)C ZINC000852554365 637677206 /nfs/dbraw/zinc/67/72/06/637677206.db2.gz KHUJQGRGPIFKDO-UHFFFAOYSA-N 1 1 270.417 3.188 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn(Cc2ccccc2)nn1 ZINC000852688409 637697230 /nfs/dbraw/zinc/69/72/30/637697230.db2.gz TYKRCDNWNWSJQB-HDICACEKSA-N 1 1 294.402 3.009 20 30 CGEDMO Clc1cccc(C#CC[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1 ZINC000886816791 637705011 /nfs/dbraw/zinc/70/50/11/637705011.db2.gz YOXMXMPNSUSHOH-NVXWUHKLSA-N 1 1 289.806 3.192 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)c(Cl)c1 ZINC000886819622 637705742 /nfs/dbraw/zinc/70/57/42/637705742.db2.gz UVGQVSISIHEQAC-GOEBONIOSA-N 1 1 290.794 3.213 20 30 CGEDMO C#CCC[N@@H+](CCOC)Cc1nc(-c2ccccc2)oc1C ZINC000852753104 637705942 /nfs/dbraw/zinc/70/59/42/637705942.db2.gz XJNCZRLBYBCZSF-UHFFFAOYSA-N 1 1 298.386 3.122 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1nc(-c2ccccc2)oc1C ZINC000852753104 637705949 /nfs/dbraw/zinc/70/59/49/637705949.db2.gz XJNCZRLBYBCZSF-UHFFFAOYSA-N 1 1 298.386 3.122 20 30 CGEDMO Oc1ccccc1/C=N/C[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000852998633 637727769 /nfs/dbraw/zinc/72/77/69/637727769.db2.gz QHSWPXRSCWGFQE-MIQLPHMESA-N 1 1 280.371 3.086 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2Cc3ccccc3OC3(CCC3)C2)C1 ZINC000887150121 637763739 /nfs/dbraw/zinc/76/37/39/637763739.db2.gz YBCRDNDHTOZZIX-GDBMZVCRSA-N 1 1 282.387 3.496 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1cc(C)cnc1=S ZINC000853598607 637871594 /nfs/dbraw/zinc/87/15/94/637871594.db2.gz UEMFCCFEHSFVOM-BETUJISGSA-N 1 1 261.394 3.062 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1cnc(-c2ccccc2)n1 ZINC000853597731 637871631 /nfs/dbraw/zinc/87/16/31/637871631.db2.gz DRGONRLDFMWNGJ-IYBDPMFKSA-N 1 1 280.375 3.086 20 30 CGEDMO Cc1ccn(C[N@H+]2CCCC[C@H]2CC2CCC2)c(=O)c1C#N ZINC000853607503 637872851 /nfs/dbraw/zinc/87/28/51/637872851.db2.gz ONKLCUMXKJHAQA-INIZCTEOSA-N 1 1 299.418 3.031 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000887712085 637890462 /nfs/dbraw/zinc/89/04/62/637890462.db2.gz BPBQCQHFTQZNRP-SFHVURJKSA-N 1 1 298.430 3.124 20 30 CGEDMO C=C1CCC(C(=O)Nc2c[nH+]ccc2-n2cc(C)cn2)CC1 ZINC000889682203 638096781 /nfs/dbraw/zinc/09/67/81/638096781.db2.gz NFFVYHUZCXHKEG-UHFFFAOYSA-N 1 1 296.374 3.261 20 30 CGEDMO CCCCCCCC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000855287928 638165540 /nfs/dbraw/zinc/16/55/40/638165540.db2.gz YRMSVDCZRGAEHQ-CQSZACIVSA-N 1 1 268.445 3.336 20 30 CGEDMO C#CCCCCCC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000855810221 638256446 /nfs/dbraw/zinc/25/64/46/638256446.db2.gz VMKPUCVHXAGMFP-MRXNPFEDSA-N 1 1 290.451 3.093 20 30 CGEDMO C=CCCCNC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000857197055 638469858 /nfs/dbraw/zinc/46/98/58/638469858.db2.gz XBJYHVFPSOWRPL-QGZVFWFLSA-N 1 1 286.419 3.192 20 30 CGEDMO C=C[C@@H](C)[NH2+][C@H](C)c1nc(Br)ccc1F ZINC000925263164 638484464 /nfs/dbraw/zinc/48/44/64/638484464.db2.gz PUCJEGMTJKYAMX-HTQZYQBOSA-N 1 1 273.149 3.208 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H]1CCCc2c(Cl)ccnc21 ZINC000925438371 638502906 /nfs/dbraw/zinc/50/29/06/638502906.db2.gz XYVWNBVJEPDXGD-LLVKDONJSA-N 1 1 257.164 3.455 20 30 CGEDMO C=CC[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@@H](N)C12CCC2 ZINC000925687975 638570012 /nfs/dbraw/zinc/57/00/12/638570012.db2.gz CZLBEDUVVZCOEP-ZACQAIPSSA-N 1 1 270.420 3.033 20 30 CGEDMO CCCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCOC ZINC000925702637 638572041 /nfs/dbraw/zinc/57/20/41/638572041.db2.gz PVSMJBPURNJQDR-ALOPSCKCSA-N 1 1 282.472 3.188 20 30 CGEDMO N#CCCC[N@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858015375 638620805 /nfs/dbraw/zinc/62/08/05/638620805.db2.gz UOXBTIQJMSTXDV-MRXNPFEDSA-N 1 1 285.391 3.106 20 30 CGEDMO C=CC[NH+](CC=C)[C@@H](CNCc1ccnc(F)c1)C(C)C ZINC000858094308 638625789 /nfs/dbraw/zinc/62/57/89/638625789.db2.gz NWJKOJLQNPFQOM-INIZCTEOSA-N 1 1 291.414 3.009 20 30 CGEDMO C[C@H]([NH2+]Cc1cccc2c1OCC2)c1cccc(C#N)c1O ZINC000927089729 638840247 /nfs/dbraw/zinc/84/02/47/638840247.db2.gz HQSVCFGRFVXRJS-LBPRGKRZSA-N 1 1 294.354 3.050 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000929164909 638903877 /nfs/dbraw/zinc/90/38/77/638903877.db2.gz PECIUWYISZTVKU-KBPBESRZSA-N 1 1 298.308 3.100 20 30 CGEDMO CC[N@@H+](C/C(C)=C\C(=O)OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000929334278 638919428 /nfs/dbraw/zinc/91/94/28/638919428.db2.gz VAUKRIQISZMMHT-ZVHGMHCTSA-N 1 1 286.375 3.060 20 30 CGEDMO CC[N@@H+](C/C(C)=C/C(=O)OC)[C@H](C)c1ccc(C#N)cc1 ZINC000929334275 638919461 /nfs/dbraw/zinc/91/94/61/638919461.db2.gz VAUKRIQISZMMHT-JWAFFJSPSA-N 1 1 286.375 3.060 20 30 CGEDMO N#Cc1cncc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c1 ZINC000929528283 638931082 /nfs/dbraw/zinc/93/10/82/638931082.db2.gz AKYHZSKXFRCGGR-MRXNPFEDSA-N 1 1 281.334 3.082 20 30 CGEDMO C=CC[N@H+](CCCCCNC(C)=O)CC1CCCCC1 ZINC000929625722 638935339 /nfs/dbraw/zinc/93/53/39/638935339.db2.gz UWXMXCKAWUXBOW-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C[C@H](c1ccc(Cl)cc1)[N@@H+](C[C@H](O)CC#N)C1CC1 ZINC000929889892 638959740 /nfs/dbraw/zinc/95/97/40/638959740.db2.gz YMBLHMVNTINQHI-IAQYHMDHSA-N 1 1 278.783 3.140 20 30 CGEDMO CC(C)(O)[C@@H]1CCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000930062774 638971940 /nfs/dbraw/zinc/97/19/40/638971940.db2.gz YLFVVHRMQWAUPQ-AWEZNQCLSA-N 1 1 264.413 3.086 20 30 CGEDMO N#CC1(CCCC[N@H+]2CC[C@H]([C@H]3CCOC3)C2)CCC1 ZINC000930071748 638972346 /nfs/dbraw/zinc/97/23/46/638972346.db2.gz KVWBFVYHNJJPKY-HOTGVXAUSA-N 1 1 276.424 3.209 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+](C)[C@@H]1CCSC1 ZINC000930092951 638973719 /nfs/dbraw/zinc/97/37/19/638973719.db2.gz FZKUBYRHAIRAMT-CQSZACIVSA-N 1 1 260.406 3.112 20 30 CGEDMO C[N@@H+](CCc1ccncc1)Cc1cc(Cl)cc(C#N)c1 ZINC000930158391 638978184 /nfs/dbraw/zinc/97/81/84/638978184.db2.gz MTFSLJYYUWRBQS-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO C=C(C)C[N@@H+](CCCCCNC(C)=O)Cc1ccccc1 ZINC000930272274 638987400 /nfs/dbraw/zinc/98/74/00/638987400.db2.gz DGURTDZEXABVON-UHFFFAOYSA-N 1 1 288.435 3.371 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2c(C)cc(C#N)cc2C)[C@H](C)C1 ZINC000930324211 638990785 /nfs/dbraw/zinc/99/07/85/638990785.db2.gz QUEALJYRBOJGQJ-GDBMZVCRSA-N 1 1 272.392 3.174 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)c1 ZINC000930565025 639027013 /nfs/dbraw/zinc/02/70/13/639027013.db2.gz RGRXTLFQQDVLME-GOSISDBHSA-N 1 1 277.371 3.333 20 30 CGEDMO C#CC[NH+]1CCC(c2nc(C3C(C)(C)C3(C)C)no2)CC1 ZINC000858845975 639027899 /nfs/dbraw/zinc/02/78/99/639027899.db2.gz UUMNOCJBGFDYBN-UHFFFAOYSA-N 1 1 287.407 3.032 20 30 CGEDMO CN1CCC[C@@]2(CC[N@H+](CCCCC3(C#N)CCC3)C2)C1 ZINC000930577340 639030347 /nfs/dbraw/zinc/03/03/47/639030347.db2.gz SJFRGQICFYRJPK-GOSISDBHSA-N 1 1 289.467 3.268 20 30 CGEDMO CN1CCC[C@@]2(CC[N@@H+](CCCCC3(C#N)CCC3)C2)C1 ZINC000930577340 639030352 /nfs/dbraw/zinc/03/03/52/639030352.db2.gz SJFRGQICFYRJPK-GOSISDBHSA-N 1 1 289.467 3.268 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCO[C@]3(CCSC3)C2)CCC1 ZINC000930812017 639069636 /nfs/dbraw/zinc/06/96/36/639069636.db2.gz GFVWBRDKERXSBR-MRXNPFEDSA-N 1 1 294.464 3.058 20 30 CGEDMO C=CC[N@H+](CCC1CN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000859080251 639073779 /nfs/dbraw/zinc/07/37/79/639073779.db2.gz GZIPLPRIPXRWST-UHFFFAOYSA-N 1 1 282.428 3.140 20 30 CGEDMO CC[N@@H+](Cc1c(C)cc(C#N)cc1C)[C@@H]1CCCOC1 ZINC000930852262 639076521 /nfs/dbraw/zinc/07/65/21/639076521.db2.gz IPEBWMGWMLJXIH-MRXNPFEDSA-N 1 1 272.392 3.176 20 30 CGEDMO C=CC[N@@H+](C[C@@H](O)CC[C@H](O)c1ccccc1)C(C)(C)C ZINC000931017210 639098695 /nfs/dbraw/zinc/09/86/95/639098695.db2.gz NVFFPMICRSABMI-IRXDYDNUSA-N 1 1 291.435 3.148 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000931063448 639106103 /nfs/dbraw/zinc/10/61/03/639106103.db2.gz SILOOMFVCXQTEQ-KFWWJZLASA-N 1 1 276.330 3.271 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000931063448 639106104 /nfs/dbraw/zinc/10/61/04/639106104.db2.gz SILOOMFVCXQTEQ-KFWWJZLASA-N 1 1 276.330 3.271 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000931164620 639120152 /nfs/dbraw/zinc/12/01/52/639120152.db2.gz WELGCNPBFZBGMS-AGIUHOORSA-N 1 1 277.330 3.384 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2cccc3nsnc32)C1 ZINC000859445557 639142693 /nfs/dbraw/zinc/14/26/93/639142693.db2.gz QIBZLTADWCNBFK-LLVKDONJSA-N 1 1 259.378 3.089 20 30 CGEDMO Cc1cccc([C@H](O)C[N@@H+](C)CCc2cccc(C#N)c2)c1 ZINC000931507526 639161539 /nfs/dbraw/zinc/16/15/39/639161539.db2.gz BBBLCQKBXQKADV-LJQANCHMSA-N 1 1 294.398 3.075 20 30 CGEDMO CC(C)(C)[C@@H]1CSCC[N@H+]1CCCSCC#N ZINC000931593723 639176637 /nfs/dbraw/zinc/17/66/37/639176637.db2.gz YBFQPTZTXOQTSX-LBPRGKRZSA-N 1 1 272.483 3.097 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CC[C@@]3(CCc4ccccc43)C2)c1 ZINC000931611787 639179510 /nfs/dbraw/zinc/17/95/10/639179510.db2.gz RHSDJFAEPRDIOZ-IBGZPJMESA-N 1 1 289.382 3.043 20 30 CGEDMO C[C@H]1CC(F)(F)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000859835839 639235748 /nfs/dbraw/zinc/23/57/48/639235748.db2.gz CSYYPWSKURJVMD-LBPRGKRZSA-N 1 1 280.318 3.209 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859930402 639256660 /nfs/dbraw/zinc/25/66/60/639256660.db2.gz VTYOFNRQKQMWEQ-XLAORIBOSA-N 1 1 271.404 3.049 20 30 CGEDMO CC(C)(C)OC[C@H]1CCC[N@H+]1CCc1ccc(C#N)cc1 ZINC000932166821 639281545 /nfs/dbraw/zinc/28/15/45/639281545.db2.gz BBGIOULSTCKKSZ-QGZVFWFLSA-N 1 1 286.419 3.380 20 30 CGEDMO CC(C)(C)OC[C@H]1CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000932164897 639282253 /nfs/dbraw/zinc/28/22/53/639282253.db2.gz WGPSPNQZTFFRNF-MRXNPFEDSA-N 1 1 272.392 3.338 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000932199662 639296205 /nfs/dbraw/zinc/29/62/05/639296205.db2.gz ZGBQNCIMGQRVMN-OLZOCXBDSA-N 1 1 250.411 3.362 20 30 CGEDMO CC(C)C[N@@H+](Cc1ccccn1)[C@@H]1CC[C@H](C#N)C1 ZINC000932448555 639333660 /nfs/dbraw/zinc/33/36/60/639333660.db2.gz BQIJALBGFPWGAR-GOEBONIOSA-N 1 1 257.381 3.232 20 30 CGEDMO C#CC[N@H+](CC(=O)Nc1ccccc1Cl)C(C)(C)C ZINC000932463259 639337013 /nfs/dbraw/zinc/33/70/13/639337013.db2.gz GDBMGLQZCWZWGL-UHFFFAOYSA-N 1 1 278.783 3.012 20 30 CGEDMO C#CC[N@@H+](CC(=O)Nc1ccccc1Cl)C(C)(C)C ZINC000932463259 639337021 /nfs/dbraw/zinc/33/70/21/639337021.db2.gz GDBMGLQZCWZWGL-UHFFFAOYSA-N 1 1 278.783 3.012 20 30 CGEDMO CC[C@@H]([NH2+]Cc1cncc(C#N)c1)c1cc(F)ccc1OC ZINC000932473012 639338908 /nfs/dbraw/zinc/33/89/08/639338908.db2.gz TURWZORKHVCELP-MRXNPFEDSA-N 1 1 299.349 3.342 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932603254 639365892 /nfs/dbraw/zinc/36/58/92/639365892.db2.gz QNAWWSUJAGKSRX-UHFFFAOYSA-N 1 1 286.423 3.296 20 30 CGEDMO C[C@]1(Cc2cc(Cl)cs2)CCC[N@H+]1C[C@H](O)CC#N ZINC000932916047 639398723 /nfs/dbraw/zinc/39/87/23/639398723.db2.gz ITAHAGKUALQOLT-TZMCWYRMSA-N 1 1 298.839 3.073 20 30 CGEDMO C#CC[N@@H+](Cc1nccnc1C)[C@H]1CCCc2ccccc21 ZINC000933417039 639448241 /nfs/dbraw/zinc/44/82/41/639448241.db2.gz DYRLBFJZFBSWIF-IBGZPJMESA-N 1 1 291.398 3.298 20 30 CGEDMO C#CC[N@H+](Cc1nccnc1C)[C@H]1CCCc2ccccc21 ZINC000933417039 639448244 /nfs/dbraw/zinc/44/82/44/639448244.db2.gz DYRLBFJZFBSWIF-IBGZPJMESA-N 1 1 291.398 3.298 20 30 CGEDMO Cc1cc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)no1 ZINC000933606170 639468452 /nfs/dbraw/zinc/46/84/52/639468452.db2.gz FJBLHBMQNDSIFG-UHFFFAOYSA-N 1 1 281.359 3.234 20 30 CGEDMO N#Cc1ccc([C@@H]2C[N@@H+](CC3CCCC3)CCO2)cc1 ZINC000933624958 639470427 /nfs/dbraw/zinc/47/04/27/639470427.db2.gz MDYPKEMRYYEMAA-KRWDZBQOSA-N 1 1 270.376 3.122 20 30 CGEDMO C[N@@H+](CCCc1ccncc1)Cc1cc(C#N)cs1 ZINC000933774123 639488936 /nfs/dbraw/zinc/48/89/36/639488936.db2.gz WYUCBKQGMSLNNF-UHFFFAOYSA-N 1 1 271.389 3.079 20 30 CGEDMO C=CCCCC[N@@H+]1CCCSC[C@H]1c1cnn(C)c1 ZINC000933975571 639516627 /nfs/dbraw/zinc/51/66/27/639516627.db2.gz IKLGHPFKEDCPMU-HNNXBMFYSA-N 1 1 279.453 3.256 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1cccc(C)c1C ZINC000934472600 639614919 /nfs/dbraw/zinc/61/49/19/639614919.db2.gz OJHYLUJYKGLBSV-HUUCEWRRSA-N 1 1 272.392 3.281 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000934473081 639616444 /nfs/dbraw/zinc/61/64/44/639616444.db2.gz UKTVSIYDQMGKMC-XJKCOSOUSA-N 1 1 290.382 3.042 20 30 CGEDMO C#CCCCCCC[N@H+]1CCOC[C@@H]1CC1CCOCC1 ZINC000934634277 639646681 /nfs/dbraw/zinc/64/66/81/639646681.db2.gz FIPAOKZOTFXWGC-SFHVURJKSA-N 1 1 293.451 3.088 20 30 CGEDMO C=CCCC[N@H+](CC)C[C@H]1CCC2(CCOCC2)O1 ZINC000934646164 639649099 /nfs/dbraw/zinc/64/90/99/639649099.db2.gz DMSKVIUVROOVLD-OAHLLOKOSA-N 1 1 267.413 3.003 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000934831699 639683116 /nfs/dbraw/zinc/68/31/16/639683116.db2.gz JMFJKNWTGKOHOZ-RBUKOAKNSA-N 1 1 298.430 3.391 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000934839610 639687622 /nfs/dbraw/zinc/68/76/22/639687622.db2.gz WTKQTZLISMDUBI-HOTGVXAUSA-N 1 1 278.440 3.455 20 30 CGEDMO C=C(Br)C[N@@H+](CCc1nccs1)C(C)C ZINC000159944821 640079431 /nfs/dbraw/zinc/07/94/31/640079431.db2.gz FVIHDTFOLKTSIH-UHFFFAOYSA-N 1 1 289.242 3.305 20 30 CGEDMO C=C(Br)C[N@H+](CCc1nccs1)C(C)C ZINC000159944821 640079434 /nfs/dbraw/zinc/07/94/34/640079434.db2.gz FVIHDTFOLKTSIH-UHFFFAOYSA-N 1 1 289.242 3.305 20 30 CGEDMO CCC[N@H+](Cc1ccccc1O)C[C@@H](C#N)CCC#N ZINC000076074198 640173872 /nfs/dbraw/zinc/17/38/72/640173872.db2.gz OCXGGHANNPLJTL-CQSZACIVSA-N 1 1 271.364 3.048 20 30 CGEDMO C#CC[N@H+](Cc1nccn1-c1ccccc1)C1CCCC1 ZINC000191425482 640310070 /nfs/dbraw/zinc/31/00/70/640310070.db2.gz XGFVRNPRBVPASC-UHFFFAOYSA-N 1 1 279.387 3.250 20 30 CGEDMO C#CC[N@@H+](Cc1nccn1-c1ccccc1)C1CCCC1 ZINC000191425482 640310077 /nfs/dbraw/zinc/31/00/77/640310077.db2.gz XGFVRNPRBVPASC-UHFFFAOYSA-N 1 1 279.387 3.250 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H]1CCC=CO1 ZINC000193785400 640495606 /nfs/dbraw/zinc/49/56/06/640495606.db2.gz MIQHYEOKPYVZPA-KRWDZBQOSA-N 1 1 273.376 3.376 20 30 CGEDMO CC[C@@H]1C[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)CCS1 ZINC000093502154 640773786 /nfs/dbraw/zinc/77/37/86/640773786.db2.gz KSRJUPBUXZSMQE-XJKSGUPXSA-N 1 1 290.432 3.305 20 30 CGEDMO C#CC[N@@H+](CC[C@H]1CCCO1)[C@H]1CCc2ccccc21 ZINC000249379563 640796971 /nfs/dbraw/zinc/79/69/71/640796971.db2.gz QFNWHOJBLKWDIF-AEFFLSMTSA-N 1 1 269.388 3.178 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)C1CCCCCCC1 ZINC000303020682 640823289 /nfs/dbraw/zinc/82/32/89/640823289.db2.gz MSOGCMWCGDWNKW-UHFFFAOYSA-N 1 1 280.456 3.456 20 30 CGEDMO C=C(C)C[N@@H+](CC)C[C@@H](O)c1ccc(F)cc1C ZINC000304556566 640865361 /nfs/dbraw/zinc/86/53/61/640865361.db2.gz WRKVGJVBQYAVFQ-OAHLLOKOSA-N 1 1 251.345 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2cccc(C)c2)C1 ZINC001006647793 640936520 /nfs/dbraw/zinc/93/65/20/640936520.db2.gz AQGUVKJGLVZHMJ-KRWDZBQOSA-N 1 1 286.419 3.155 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C(C)C)C1 ZINC001007459865 640942762 /nfs/dbraw/zinc/94/27/62/640942762.db2.gz PLCDTQRJQBZSHD-MRXNPFEDSA-N 1 1 298.430 3.028 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CCC[N@@H+](CC3CCC3)C2)CC1 ZINC001008418597 640950623 /nfs/dbraw/zinc/95/06/23/640950623.db2.gz PFFKUWBLBLNKKI-KRWDZBQOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C2CCCCC2)C1 ZINC001008809252 640954297 /nfs/dbraw/zinc/95/42/97/640954297.db2.gz YGVSSZYCHAJSMS-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001009321809 640959291 /nfs/dbraw/zinc/95/92/91/640959291.db2.gz ZVLXNZBIGOKLAH-SFHVURJKSA-N 1 1 298.430 3.028 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)CC2CCC(C)(C)CC2)C1 ZINC001009778158 640962747 /nfs/dbraw/zinc/96/27/47/640962747.db2.gz MABHMCMAOLDYLX-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2scc(C)c2Cl)C1 ZINC001014549375 640974304 /nfs/dbraw/zinc/97/43/04/640974304.db2.gz LGRGHYZIFFHCFO-NSHDSACASA-N 1 1 298.839 3.090 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2coc3c2cccc3C)C1 ZINC001014738611 640974871 /nfs/dbraw/zinc/97/48/71/640974871.db2.gz XTAPEVPBMZCKCI-CQSZACIVSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2c(C)cccc2Cl)C1 ZINC001015655790 640984631 /nfs/dbraw/zinc/98/46/31/640984631.db2.gz YCFRZXHRJIDSQS-ZDUSSCGKSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2sccc2C2CC2)C1 ZINC001016179770 640994327 /nfs/dbraw/zinc/99/43/27/640994327.db2.gz DPLYVXYAZGRHJB-CYBMUJFWSA-N 1 1 290.432 3.006 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cc3c(cccc3C)o2)C1 ZINC001016367086 640996719 /nfs/dbraw/zinc/99/67/19/640996719.db2.gz IHJPRDNDXZEBEM-CQSZACIVSA-N 1 1 298.386 3.121 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CCC(C)=C(C)C2)C1 ZINC001016370345 640997074 /nfs/dbraw/zinc/99/70/74/640997074.db2.gz CKSHHPMJGULROH-FUHWJXTLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1(C)CCCC1 ZINC001017525167 641014078 /nfs/dbraw/zinc/01/40/78/641014078.db2.gz DAGRDBPEFCRWGO-IYBDPMFKSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]1CC ZINC001017903622 641018477 /nfs/dbraw/zinc/01/84/77/641018477.db2.gz ZAPIFRGFRBOBAO-MWDXBVQZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C=C)cc1 ZINC001017985529 641018916 /nfs/dbraw/zinc/01/89/16/641018916.db2.gz HFOMDVZJVQETBY-HDICACEKSA-N 1 1 296.414 3.195 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@]1(C)CC ZINC001018130398 641020000 /nfs/dbraw/zinc/02/00/00/641020000.db2.gz RYOBIGWBTGNFDZ-HPFXQQBRSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)c(C)c1 ZINC001018233324 641021033 /nfs/dbraw/zinc/02/10/33/641021033.db2.gz GRCZUTBKAWWERO-HDICACEKSA-N 1 1 298.430 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)c(C)c1 ZINC001018233324 641021039 /nfs/dbraw/zinc/02/10/39/641021039.db2.gz GRCZUTBKAWWERO-HDICACEKSA-N 1 1 298.430 3.168 20 30 CGEDMO CCN(CCC#N)c1ccc([C@@H]2CCCC[N@H+]2CC)cn1 ZINC001165048615 721987590 /nfs/dbraw/zinc/98/75/90/721987590.db2.gz NXZBZNGACRPBPS-INIZCTEOSA-N 1 1 286.423 3.368 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001155343940 805574059 /nfs/dbraw/zinc/57/40/59/805574059.db2.gz WTBORWYSNRNNOY-BZUAXINKSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001155353876 805575197 /nfs/dbraw/zinc/57/51/97/805575197.db2.gz VWPYCRFCYMTGEF-BRWVUGGUSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)[C@@H](C)C(CC)CC ZINC001568551375 961612697 /nfs/dbraw/zinc/61/26/97/961612697.db2.gz AWOVWSBSLOWTIE-AWEZNQCLSA-N 1 1 268.445 3.025 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)C1[C@H]2CCCCCC[C@H]12 ZINC001155446351 805582914 /nfs/dbraw/zinc/58/29/14/805582914.db2.gz VGFBZTKMFUYXKE-PMPSAXMXSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)CC(=C)Cl ZINC001155489689 805586024 /nfs/dbraw/zinc/58/60/24/805586024.db2.gz JBZPELGKFHOKQZ-CYBMUJFWSA-N 1 1 286.847 3.168 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)CC(=C)Cl ZINC001155489689 805586030 /nfs/dbraw/zinc/58/60/30/805586030.db2.gz JBZPELGKFHOKQZ-CYBMUJFWSA-N 1 1 286.847 3.168 20 30 CGEDMO C=C(C)CNc1[nH+]cnc2c1ccn2Cc1ccccc1 ZINC001155661127 805601053 /nfs/dbraw/zinc/60/10/53/805601053.db2.gz UFIWNRCTLUFWTI-UHFFFAOYSA-N 1 1 278.359 3.468 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1cc(C)c(CC)o1 ZINC001156335595 805676377 /nfs/dbraw/zinc/67/63/77/805676377.db2.gz KQDGVFJTYZLMHI-CQSZACIVSA-N 1 1 292.423 3.167 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1ccoc1CCC ZINC001156366450 805677695 /nfs/dbraw/zinc/67/76/95/805677695.db2.gz KTMYWOSTBZVTGU-CQSZACIVSA-N 1 1 292.423 3.248 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1oc(CC)cc1C ZINC001156403419 805684336 /nfs/dbraw/zinc/68/43/36/805684336.db2.gz FBYGJHDMUWQNPD-CQSZACIVSA-N 1 1 292.423 3.167 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1ccc(F)cc1C ZINC001156501698 805704548 /nfs/dbraw/zinc/70/45/48/805704548.db2.gz FFDLVCCIIVSFAD-CQSZACIVSA-N 1 1 292.398 3.150 20 30 CGEDMO C=CC[N@@H+](C[C@H](O)COc1ccc(Cl)cc1)C(C)(C)C ZINC001250674039 805752956 /nfs/dbraw/zinc/75/29/56/805752956.db2.gz QKHDNNIVLUAMCW-AWEZNQCLSA-N 1 1 297.826 3.366 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)C1CC1 ZINC001157154058 805785773 /nfs/dbraw/zinc/78/57/73/805785773.db2.gz VOVYMGQJSYBZPS-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC2CCC1CC2 ZINC001157158511 805786255 /nfs/dbraw/zinc/78/62/55/805786255.db2.gz BMYSZLHJIUIAQI-VXLLPVPCSA-N 1 1 292.467 3.215 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)CNC(=O)C(CC(C)C)CC(C)C ZINC001157159123 805786534 /nfs/dbraw/zinc/78/65/34/805786534.db2.gz URKYEBPUJHOUCR-MRXNPFEDSA-N 1 1 294.483 3.155 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCC ZINC001157441211 805811350 /nfs/dbraw/zinc/81/13/50/805811350.db2.gz OMKBUUXHRBBUNG-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)C1CCCCC1 ZINC001157470895 805820417 /nfs/dbraw/zinc/82/04/17/805820417.db2.gz VOOSWSWTBWYNTQ-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)C1=CCCC1 ZINC001157802710 805873776 /nfs/dbraw/zinc/87/37/76/805873776.db2.gz RTCLTXLMGOBYRF-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO Cc1[nH+]c(N[C@@H](C)CCCC(C)(C)O)ccc1CC#N ZINC001157896718 805901069 /nfs/dbraw/zinc/90/10/69/805901069.db2.gz KKMKJFCJOMTBIN-LBPRGKRZSA-N 1 1 275.396 3.198 20 30 CGEDMO CC[C@@H](C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C#CC(C)C ZINC001157940039 805905625 /nfs/dbraw/zinc/90/56/25/805905625.db2.gz QDRQHOUFORSBCN-IAGOWNOFSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)CC[C@@H](C)F ZINC001158419743 805953119 /nfs/dbraw/zinc/95/31/19/805953119.db2.gz ZHCKOXMQCSBYLT-HZPDHXFCSA-N 1 1 298.446 3.404 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)C1CCC(=C)CC1 ZINC001158434427 805955510 /nfs/dbraw/zinc/95/55/10/805955510.db2.gz KYQMVNAEZOTWQX-QGZVFWFLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1CC ZINC001158501828 805962556 /nfs/dbraw/zinc/96/25/56/805962556.db2.gz QERTWLSRMUAVOH-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](CC)CCC ZINC001158667345 805982207 /nfs/dbraw/zinc/98/22/07/805982207.db2.gz PDTIBOYJQKNXAO-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCOC(C)(C)C1 ZINC001252121230 806008061 /nfs/dbraw/zinc/00/80/61/806008061.db2.gz DYOFBWDOYJFQGX-HNNXBMFYSA-N 1 1 271.445 3.209 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCC(=O)[C@H](F)CC1 ZINC001252123611 806010577 /nfs/dbraw/zinc/01/05/77/806010577.db2.gz KDISNJWPUUOZKT-HUUCEWRRSA-N 1 1 287.419 3.101 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+]1CCC(=O)[C@H](F)CC1 ZINC001252123611 806010587 /nfs/dbraw/zinc/01/05/87/806010587.db2.gz KDISNJWPUUOZKT-HUUCEWRRSA-N 1 1 287.419 3.101 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+]1CCC(=O)[C@H](C)CC1 ZINC001252123208 806011888 /nfs/dbraw/zinc/01/18/88/806011888.db2.gz DQQJSSMZLBHZMG-CVEARBPZSA-N 1 1 283.456 3.399 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC001252129975 806014757 /nfs/dbraw/zinc/01/47/57/806014757.db2.gz ICVQKOQTVAZOSG-DFBDCSAJSA-N 1 1 295.467 3.207 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+](C)CC1(C)COC1 ZINC001252130816 806016826 /nfs/dbraw/zinc/01/68/26/806016826.db2.gz YMTJLHKZRROCOP-OAHLLOKOSA-N 1 1 271.445 3.066 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@H]1C(C)=O ZINC001252132747 806017038 /nfs/dbraw/zinc/01/70/38/806017038.db2.gz KROBAWQJSUKTEL-HOTGVXAUSA-N 1 1 269.429 3.151 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+](C)[C@@H]1CCCOC1 ZINC001252132278 806019122 /nfs/dbraw/zinc/01/91/22/806019122.db2.gz DLNMKRWXVGYDHB-CVEARBPZSA-N 1 1 271.445 3.209 20 30 CGEDMO C=CCOC[C@@H](O)C[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC001252472901 806048896 /nfs/dbraw/zinc/04/88/96/806048896.db2.gz CFQMDVGKZITEOY-HOTGVXAUSA-N 1 1 295.810 3.040 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC001252556765 806064294 /nfs/dbraw/zinc/06/42/94/806064294.db2.gz DSMXZWWFMRZZDM-IAGOWNOFSA-N 1 1 259.393 3.193 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)C12CC3CC(CC(C3)C1)C2 ZINC001252600171 806080104 /nfs/dbraw/zinc/08/01/04/806080104.db2.gz YRHYOJRQQPVFIJ-KLZNEWFBSA-N 1 1 263.425 3.214 20 30 CGEDMO C=CCCC(=O)NCCC1=CC[N@@H+](C[C@H](C)CC)CC1 ZINC001159538698 806118415 /nfs/dbraw/zinc/11/84/15/806118415.db2.gz HWMVGYKZBWUMFV-OAHLLOKOSA-N 1 1 278.440 3.137 20 30 CGEDMO N#CCC[N@@H+](C[C@H](O)c1ccc(F)cc1)C1CCCC1 ZINC001252846089 806130619 /nfs/dbraw/zinc/13/06/19/806130619.db2.gz GUMZKBUYBRBDRD-INIZCTEOSA-N 1 1 276.355 3.017 20 30 CGEDMO N#CCC[N@H+](C[C@H](O)c1ccc(F)cc1)C1CCCC1 ZINC001252846089 806130623 /nfs/dbraw/zinc/13/06/23/806130623.db2.gz GUMZKBUYBRBDRD-INIZCTEOSA-N 1 1 276.355 3.017 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[N@H+]1C[C@@H](O)C[C@H]1C ZINC001252979904 806144999 /nfs/dbraw/zinc/14/49/99/806144999.db2.gz OWQZSHBSMUJPJO-ZACQAIPSSA-N 1 1 285.472 3.333 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[N@H+]1CCC[C@H]1CO ZINC001252980608 806145282 /nfs/dbraw/zinc/14/52/82/806145282.db2.gz WSPHKLMHOWRJLL-DLBZAZTESA-N 1 1 285.472 3.335 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[N@H+]1CC[C@@H](CO)C1 ZINC001252986069 806146542 /nfs/dbraw/zinc/14/65/42/806146542.db2.gz SDYAGRKMJQNLNA-IAGOWNOFSA-N 1 1 285.472 3.192 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CCNC(=O)C(F)=C(C)C)CC1 ZINC001159768361 806169057 /nfs/dbraw/zinc/16/90/57/806169057.db2.gz YBUXYZFSLIDIJE-UHFFFAOYSA-N 1 1 294.414 3.354 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC2(C)C)CC1 ZINC001159828378 806181540 /nfs/dbraw/zinc/18/15/40/806181540.db2.gz YPABSIRYJLXPOK-INIZCTEOSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CCCC[C@H]1C(C)=O ZINC001253238102 806188704 /nfs/dbraw/zinc/18/87/04/806188704.db2.gz AVBCNFDNPWTWFQ-IRXDYDNUSA-N 1 1 281.440 3.317 20 30 CGEDMO C=CCCCCCC[C@H](O)C[NH+]1CCN(CC(C)C)CC1 ZINC001253237096 806188786 /nfs/dbraw/zinc/18/87/86/806188786.db2.gz VQJUIYPEFCPHNZ-SFHVURJKSA-N 1 1 296.499 3.148 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+](C)Cc1cncs1 ZINC001253240869 806192174 /nfs/dbraw/zinc/19/21/74/806192174.db2.gz BCKJQEQNDLTSIC-AWEZNQCLSA-N 1 1 282.453 3.462 20 30 CGEDMO C#CC[N@H+](CC#Cc1ccc(Cl)cc1)CC1CC1 ZINC001253563036 806260121 /nfs/dbraw/zinc/26/01/21/806260121.db2.gz JVZQJIAUMCGMIT-UHFFFAOYSA-N 1 1 257.764 3.037 20 30 CGEDMO CC[N@@H+](Cc1ccc(N2CCCC2)cc1)C[C@@H](C)C#N ZINC001253990457 806326443 /nfs/dbraw/zinc/32/64/43/806326443.db2.gz SVIZBQQUFXZNDJ-HNNXBMFYSA-N 1 1 271.408 3.268 20 30 CGEDMO CC[N@H+](Cc1ccc(N2CCCC2)cc1)C[C@@H](C)C#N ZINC001253990457 806326452 /nfs/dbraw/zinc/32/64/52/806326452.db2.gz SVIZBQQUFXZNDJ-HNNXBMFYSA-N 1 1 271.408 3.268 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1cc2ccc(F)cc2cn1 ZINC001160957905 806329608 /nfs/dbraw/zinc/32/96/08/806329608.db2.gz XNBWMYBQEMWAHO-INIZCTEOSA-N 1 1 285.366 3.436 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC2(C)C)CC1 ZINC001160968513 806329973 /nfs/dbraw/zinc/32/99/73/806329973.db2.gz WCFPMBMQSKNVJJ-INIZCTEOSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)C[C@@H](C=C)CC)CC1 ZINC001160968442 806330426 /nfs/dbraw/zinc/33/04/26/806330426.db2.gz VHVXFZZGLOOHFH-INIZCTEOSA-N 1 1 290.451 3.303 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NCCC1=CC[N@@H+](CC(C)C)CC1 ZINC001160992489 806334422 /nfs/dbraw/zinc/33/44/22/806334422.db2.gz YVGNUINUHZKSKZ-MRXNPFEDSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCCCC(=O)NCCC1=CC[N@H+](CC(=C)Cl)CC1 ZINC001161056505 806344349 /nfs/dbraw/zinc/34/43/49/806344349.db2.gz IBTHQIGVRIMNDX-UHFFFAOYSA-N 1 1 296.842 3.234 20 30 CGEDMO C=CCCCC(=O)NCCC1=CC[N@@H+](CC(=C)Cl)CC1 ZINC001161056505 806344358 /nfs/dbraw/zinc/34/43/58/806344358.db2.gz IBTHQIGVRIMNDX-UHFFFAOYSA-N 1 1 296.842 3.234 20 30 CGEDMO C=CCCC1(C(=O)NCCC2=CC[N@@H+](C(C)C)CC2)CC1 ZINC001161116663 806350588 /nfs/dbraw/zinc/35/05/88/806350588.db2.gz NKWSLLXKMWHFRG-UHFFFAOYSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@@]2(C)CC)CC1 ZINC001161611429 806398360 /nfs/dbraw/zinc/39/83/60/806398360.db2.gz SUMSNCXELCAERL-FUHWJXTLSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC[C@@H]([NH2+][C@H](CCC)CCc1ccccc1)C(=O)OC ZINC001254487298 806414423 /nfs/dbraw/zinc/41/44/23/806414423.db2.gz NZSPJWLAPQHGRG-IAGOWNOFSA-N 1 1 289.419 3.495 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCSC[C@H]2c2ccccc2)C1 ZINC001254669871 806479509 /nfs/dbraw/zinc/47/95/09/806479509.db2.gz WMEDPKHNYFMIDL-KBMXLJTQSA-N 1 1 272.417 3.469 20 30 CGEDMO CC[N@@H+]([C@@H]1CC[C@@H](C#N)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001254670381 806481093 /nfs/dbraw/zinc/48/10/93/806481093.db2.gz JAVFMNOFQWTBKR-GUDVDZBRSA-N 1 1 297.446 3.275 20 30 CGEDMO CCN([C@@H]1CC[C@@H](C#N)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001254670381 806481099 /nfs/dbraw/zinc/48/10/99/806481099.db2.gz JAVFMNOFQWTBKR-GUDVDZBRSA-N 1 1 297.446 3.275 20 30 CGEDMO CCN([C@@H]1CC[C@@H](C#N)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001254670381 806481101 /nfs/dbraw/zinc/48/11/01/806481101.db2.gz JAVFMNOFQWTBKR-GUDVDZBRSA-N 1 1 297.446 3.275 20 30 CGEDMO CC[N@@H+](Cc1cccc(OC)c1)[C@@H]1CC[C@H](C#N)C1 ZINC001254670761 806482008 /nfs/dbraw/zinc/48/20/08/806482008.db2.gz MIXMENUWYQJPOC-DZGCQCFKSA-N 1 1 258.365 3.209 20 30 CGEDMO C[C@H]1C[N@H+]([C@@H]2CC[C@@H](C#N)C2)[C@@H](c2ccccc2)CO1 ZINC001254676281 806483162 /nfs/dbraw/zinc/48/31/62/806483162.db2.gz JVZLMEHLNWQBPC-XOSAIJSUSA-N 1 1 270.376 3.141 20 30 CGEDMO C[C@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)[C@@H](c2ccccc2)CO1 ZINC001254676281 806483165 /nfs/dbraw/zinc/48/31/65/806483165.db2.gz JVZLMEHLNWQBPC-XOSAIJSUSA-N 1 1 270.376 3.141 20 30 CGEDMO COc1cccc(CCC[N@@H+](C)[C@H]2CC[C@@H](C#N)C2)c1 ZINC001254673789 806483735 /nfs/dbraw/zinc/48/37/35/806483735.db2.gz PIDIFBKYFKCABE-CVEARBPZSA-N 1 1 272.392 3.252 20 30 CGEDMO COC(=O)c1ccc([C@@H]2CCC[N@H+]2[C@H]2CC[C@@H](C#N)C2)cc1 ZINC001254678520 806484325 /nfs/dbraw/zinc/48/43/25/806484325.db2.gz FHIXPCYRWSPTFT-COXVUDFISA-N 1 1 298.386 3.302 20 30 CGEDMO C[C@@H]1C[N@@H+]([C@H]2CC[C@H](C#N)C2)[C@H](C)CN1Cc1ccccc1 ZINC001254679323 806484410 /nfs/dbraw/zinc/48/44/10/806484410.db2.gz LHOJKZMQEVSADS-FPAYPSAMSA-N 1 1 297.446 3.273 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1[C@H]1CC[C@H](C#N)C1 ZINC001254679323 806484413 /nfs/dbraw/zinc/48/44/13/806484413.db2.gz LHOJKZMQEVSADS-FPAYPSAMSA-N 1 1 297.446 3.273 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1[C@H]1CC[C@H](C#N)C1 ZINC001254679323 806484417 /nfs/dbraw/zinc/48/44/17/806484417.db2.gz LHOJKZMQEVSADS-FPAYPSAMSA-N 1 1 297.446 3.273 20 30 CGEDMO C#CC(C)(C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001255122391 806548648 /nfs/dbraw/zinc/54/86/48/806548648.db2.gz PHAOWJJTYDQHSO-BCDXTJNWSA-N 1 1 282.431 3.183 20 30 CGEDMO C#CC(C)(C)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255122391 806548653 /nfs/dbraw/zinc/54/86/53/806548653.db2.gz PHAOWJJTYDQHSO-BCDXTJNWSA-N 1 1 282.431 3.183 20 30 CGEDMO C#CC(C)(C)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255122391 806548659 /nfs/dbraw/zinc/54/86/59/806548659.db2.gz PHAOWJJTYDQHSO-BCDXTJNWSA-N 1 1 282.431 3.183 20 30 CGEDMO C[N@H+]1CCC[C@@](C)(Nc2nc(C#N)c(Cl)cc2Cl)C1 ZINC001162340488 806558946 /nfs/dbraw/zinc/55/89/46/806558946.db2.gz ULCVGPQKWZIORZ-CYBMUJFWSA-N 1 1 299.205 3.156 20 30 CGEDMO CC[C@H](CC#N)[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC001255165173 806563300 /nfs/dbraw/zinc/56/33/00/806563300.db2.gz UYXWRDQMSHFCGY-OAHLLOKOSA-N 1 1 292.810 3.316 20 30 CGEDMO CC[C@@H](CC#N)[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)CC1 ZINC001255172843 806566092 /nfs/dbraw/zinc/56/60/92/806566092.db2.gz GXFQMKAMHWKKOZ-KGLIPLIRSA-N 1 1 295.427 3.058 20 30 CGEDMO CC[C@H](CC#N)[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)CC1 ZINC001255172846 806567474 /nfs/dbraw/zinc/56/74/74/806567474.db2.gz GXFQMKAMHWKKOZ-ZIAGYGMSSA-N 1 1 295.427 3.058 20 30 CGEDMO CC[C@@H](CC#N)[NH+]1CCC(Oc2cccc(Cl)n2)CC1 ZINC001255175268 806569327 /nfs/dbraw/zinc/56/93/27/806569327.db2.gz OCPMNJSAXHZXPO-LBPRGKRZSA-N 1 1 293.798 3.270 20 30 CGEDMO CC[C@H](CC#N)[N@H+]1CC[C@@H](c2cccc(OC)c2)C1 ZINC001255179848 806572390 /nfs/dbraw/zinc/57/23/90/806572390.db2.gz SKJLEAQABVTZTC-HUUCEWRRSA-N 1 1 258.365 3.177 20 30 CGEDMO C[N@H+]1CCCC[C@H]1c1ccc(NCC2(C#N)CCC2)nc1 ZINC001162413609 806582632 /nfs/dbraw/zinc/58/26/32/806582632.db2.gz ZDPLJRXVUWAGFZ-HNNXBMFYSA-N 1 1 284.407 3.344 20 30 CGEDMO C=CCN1CC[C@@]2(CCC[N@H+]([C@H](C)CCCC)C2)C1=O ZINC001255325816 806613768 /nfs/dbraw/zinc/61/37/68/806613768.db2.gz MBARKWRSVTYHMQ-NVXWUHKLSA-N 1 1 278.440 3.066 20 30 CGEDMO CCOC(=O)[C@@H]1CCC[C@@H]([N@@H+](CCC#N)C2CCCC2)C1 ZINC001255368588 806626793 /nfs/dbraw/zinc/62/67/93/806626793.db2.gz UPMQWVKWZDCKKL-GDBMZVCRSA-N 1 1 292.423 3.267 20 30 CGEDMO N#C[C@H]1CCCCN1[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255402821 806633036 /nfs/dbraw/zinc/63/30/36/806633036.db2.gz BCAAOFSAFYAHPJ-RTBURBONSA-N 1 1 297.446 3.419 20 30 CGEDMO C[N@H+]1CCC[C@H](N(CCC#N)C2CCCCCCC2)C1 ZINC001255486962 806650529 /nfs/dbraw/zinc/65/05/29/806650529.db2.gz PIFTVIWGOMNCSI-KRWDZBQOSA-N 1 1 277.456 3.409 20 30 CGEDMO CN1CCC[C@H]([N@H+](CCC#N)C2CCCCCCC2)C1 ZINC001255486962 806650533 /nfs/dbraw/zinc/65/05/33/806650533.db2.gz PIFTVIWGOMNCSI-KRWDZBQOSA-N 1 1 277.456 3.409 20 30 CGEDMO CN1CCC[C@H]([N@@H+](CCC#N)C2CCCCCCC2)C1 ZINC001255486962 806650539 /nfs/dbraw/zinc/65/05/39/806650539.db2.gz PIFTVIWGOMNCSI-KRWDZBQOSA-N 1 1 277.456 3.409 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)[C@H]1CCCN(C)C1 ZINC001255485510 806650699 /nfs/dbraw/zinc/65/06/99/806650699.db2.gz DCUSKRQWGMEEAM-KRWDZBQOSA-N 1 1 258.409 3.159 20 30 CGEDMO CC1(C)C[C@@H]([N@@H+](CCC#N)C2CCCC2)CCO1 ZINC001255543543 806669709 /nfs/dbraw/zinc/66/97/09/806669709.db2.gz UJIHQAYTQDELAF-AWEZNQCLSA-N 1 1 250.386 3.102 20 30 CGEDMO CC1(C)C[C@H]([N@@H+](CCC#N)C2CCCC2)CCO1 ZINC001255543545 806670141 /nfs/dbraw/zinc/67/01/41/806670141.db2.gz UJIHQAYTQDELAF-CQSZACIVSA-N 1 1 250.386 3.102 20 30 CGEDMO C[N@@H+](CCCNCc1ccc(C#N)cc1)C1CCCCC1 ZINC000037897159 798879801 /nfs/dbraw/zinc/87/98/01/798879801.db2.gz AHPPOQJOKDZZNO-UHFFFAOYSA-N 1 1 285.435 3.302 20 30 CGEDMO CC[C@H](C)[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001257447969 807162896 /nfs/dbraw/zinc/16/28/96/807162896.db2.gz NXNFOFHEYPSQMI-XJKSGUPXSA-N 1 1 258.365 3.200 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCCC[C@H]2CC)cc1 ZINC000077012317 798926267 /nfs/dbraw/zinc/92/62/67/798926267.db2.gz GIGYURJLMAWUCG-MRXNPFEDSA-N 1 1 257.377 3.463 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCCC[C@@H]2CC)cc1OC ZINC000077009560 798926523 /nfs/dbraw/zinc/92/65/23/798926523.db2.gz KCNOAVXXXVOAGN-INIZCTEOSA-N 1 1 287.403 3.472 20 30 CGEDMO C=CC[N@@H+](C)CC(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000121613041 798989356 /nfs/dbraw/zinc/98/93/56/798989356.db2.gz HBKQJBGSDYWJAI-ZDUSSCGKSA-N 1 1 260.381 3.256 20 30 CGEDMO C=CC[N@H+](C)CC(=O)Nc1ccc([C@@H](C)CC)cc1 ZINC000121613041 798989360 /nfs/dbraw/zinc/98/93/60/798989360.db2.gz HBKQJBGSDYWJAI-ZDUSSCGKSA-N 1 1 260.381 3.256 20 30 CGEDMO C[N@@H+](CC/N=C/c1ccccc1O)Cc1ccc(F)cc1 ZINC000176414461 799096327 /nfs/dbraw/zinc/09/63/27/799096327.db2.gz HHAVDBPVPYHFOH-XDHOZWIPSA-N 1 1 286.350 3.082 20 30 CGEDMO C[C@@H](CNC1CC(C#N)(c2ccccc2)C1)[NH+]1CCCCC1 ZINC000315608280 799237074 /nfs/dbraw/zinc/23/70/74/799237074.db2.gz IGDBPPABOAIDTM-IVMQYODDSA-N 1 1 297.446 3.074 20 30 CGEDMO C#CC[N@@H+](C)CCCN[C@@H](C)c1oc2ccccc2c1C ZINC000328022658 799250505 /nfs/dbraw/zinc/25/05/05/799250505.db2.gz SSSPWXOBRNWHHK-HNNXBMFYSA-N 1 1 284.403 3.347 20 30 CGEDMO C#CC[N@H+](C)CCCN[C@@H](C)c1oc2ccccc2c1C ZINC000328022658 799250509 /nfs/dbraw/zinc/25/05/09/799250509.db2.gz SSSPWXOBRNWHHK-HNNXBMFYSA-N 1 1 284.403 3.347 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000384203592 799414668 /nfs/dbraw/zinc/41/46/68/799414668.db2.gz MLTMOXQKGLMVMI-AWEZNQCLSA-N 1 1 250.411 3.332 20 30 CGEDMO C#C[C@H](C)[NH2+]Cc1cc(Cl)c(OC)cc1Cl ZINC000390455836 799470380 /nfs/dbraw/zinc/47/03/80/799470380.db2.gz CUDMZAVMHVTAIA-QMMMGPOBSA-N 1 1 258.148 3.113 20 30 CGEDMO CO[C@@H]1CC[C@H](C)[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000687219435 799737309 /nfs/dbraw/zinc/73/73/09/799737309.db2.gz QELXJNKMHCCESK-UONOGXRCSA-N 1 1 252.402 3.206 20 30 CGEDMO C[C@@H](CC(C)(C)C#N)[NH2+]CCCN(C)Cc1ccccc1 ZINC000695859646 799836749 /nfs/dbraw/zinc/83/67/49/799836749.db2.gz PEFCMSMVCKQJLC-INIZCTEOSA-N 1 1 287.451 3.426 20 30 CGEDMO C=CCC1(NC(=O)NCC[N@@H+]2CCC[C@H]2C)CCCCC1 ZINC001256032988 806806570 /nfs/dbraw/zinc/80/65/70/806806570.db2.gz RJCMYYHJYRDBAO-OAHLLOKOSA-N 1 1 293.455 3.049 20 30 CGEDMO C=C[C@H](CO)[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1F ZINC000717521431 800203140 /nfs/dbraw/zinc/20/31/40/800203140.db2.gz LGMOIJYHRJMVOU-IONNQARKSA-N 1 1 278.154 3.330 20 30 CGEDMO C(#Cc1ccccc1)C[NH2+]Cc1nc2c(s1)CCCC2 ZINC000719550014 800242253 /nfs/dbraw/zinc/24/22/53/800242253.db2.gz MENYLQVAFMRLTN-UHFFFAOYSA-N 1 1 282.412 3.163 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)Cc2ccccc2F)cc1 ZINC000809541037 800443079 /nfs/dbraw/zinc/44/30/79/800443079.db2.gz CUZLOPICEVEYKR-UHFFFAOYSA-N 1 1 253.320 3.439 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C=C2CCC2)[C@@H]1C ZINC000993181954 800694638 /nfs/dbraw/zinc/69/46/38/800694638.db2.gz DAWOHDNQNAPACQ-HOCLYGCPSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001023389560 800710007 /nfs/dbraw/zinc/71/00/07/800710007.db2.gz XHLVPIWNJNNPQS-IAGOWNOFSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccoc1CC ZINC001024415179 800728401 /nfs/dbraw/zinc/72/84/01/800728401.db2.gz PNPYCNHPOFUQQK-AWEZNQCLSA-N 1 1 290.407 3.002 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2CC2CC2)CC1 ZINC001024634001 800733419 /nfs/dbraw/zinc/73/34/19/800733419.db2.gz PTNWCKRBMYPFBT-KRWDZBQOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(Cl)cs1 ZINC001024692467 800735778 /nfs/dbraw/zinc/73/57/78/800735778.db2.gz LUOKZZBSAJNYGS-LBPRGKRZSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(Cl)cs1 ZINC001024692467 800735781 /nfs/dbraw/zinc/73/57/81/800735781.db2.gz LUOKZZBSAJNYGS-LBPRGKRZSA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC001024745181 800735875 /nfs/dbraw/zinc/73/58/75/800735875.db2.gz PRPCIKYNOIJWLH-JKSUJKDBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)C ZINC001025203666 800748683 /nfs/dbraw/zinc/74/86/83/800748683.db2.gz JASJAMQANSATHP-HOTGVXAUSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCC1CC1 ZINC001025214089 800750765 /nfs/dbraw/zinc/75/07/65/800750765.db2.gz UDSGNMTYRYLZBY-SJORKVTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC001027281533 800790035 /nfs/dbraw/zinc/79/00/35/800790035.db2.gz USJUICGSRUSOSZ-LBPRGKRZSA-N 1 1 298.839 3.037 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC001027281533 800790038 /nfs/dbraw/zinc/79/00/38/800790038.db2.gz USJUICGSRUSOSZ-LBPRGKRZSA-N 1 1 298.839 3.037 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)CC2CC(C)(C)C2)C1 ZINC001027541462 800800989 /nfs/dbraw/zinc/80/09/89/800800989.db2.gz RTSOEJBGPHVFBN-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@H]([N@@H+](C)CC2CCC2)C1 ZINC001027560285 800804134 /nfs/dbraw/zinc/80/41/34/800804134.db2.gz VASHGFFPOOFBFQ-FUHWJXTLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)C2(C)CC(=C)C2)C1 ZINC001027566431 800804286 /nfs/dbraw/zinc/80/42/86/800804286.db2.gz ISRZPQXMFQLKEP-AWEZNQCLSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)C2(C)CC(=C)C2)C1 ZINC001027566431 800804293 /nfs/dbraw/zinc/80/42/93/800804293.db2.gz ISRZPQXMFQLKEP-AWEZNQCLSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001027698110 800813239 /nfs/dbraw/zinc/81/32/39/800813239.db2.gz CRLSOSOKRWUYLB-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C(C)C)oc1C ZINC001028234699 800835564 /nfs/dbraw/zinc/83/55/64/800835564.db2.gz DYWLBMQUYRTTDA-AWEZNQCLSA-N 1 1 290.407 3.092 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC001028299104 800840195 /nfs/dbraw/zinc/84/01/95/800840195.db2.gz ZNBLSZJLNZSTGN-QGZVFWFLSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC(C)(C)C1 ZINC001028341151 800845161 /nfs/dbraw/zinc/84/51/61/800845161.db2.gz ZUAYXBDBJPXSNY-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)C2=CCCCCC2)C1 ZINC001028499708 800849030 /nfs/dbraw/zinc/84/90/30/800849030.db2.gz KFWACIDWGNEVQF-MRXNPFEDSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](CNC(=O)c2ccc3occc3c2)C1 ZINC001028555255 800849888 /nfs/dbraw/zinc/84/98/88/800849888.db2.gz UYWYOOQJVCPTDV-AWEZNQCLSA-N 1 1 298.386 3.061 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccsc2Cl)C1 ZINC001028848747 800854607 /nfs/dbraw/zinc/85/46/07/800854607.db2.gz YYLVKIVRGZSQQX-NSHDSACASA-N 1 1 298.839 3.029 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(C(C)C)cc2)C1 ZINC001028945100 800856322 /nfs/dbraw/zinc/85/63/22/800856322.db2.gz KQPVCQTVQVVNLJ-OAHLLOKOSA-N 1 1 286.419 3.048 20 30 CGEDMO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(CC)CC ZINC001029421474 800867987 /nfs/dbraw/zinc/86/79/87/800867987.db2.gz BFKWTIKTVQKFOV-IYBDPMFKSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC(C[N@@H+](C)CC2CC2)CC1 ZINC001029990634 800881662 /nfs/dbraw/zinc/88/16/62/800881662.db2.gz ORPLWGOUEUGPSK-SFHVURJKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)c2cc(C)cc(Cl)c2)C1 ZINC001030680807 800894550 /nfs/dbraw/zinc/89/45/50/800894550.db2.gz YCOZGXZEVRQHBT-UHFFFAOYSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)C2(C3CCCCC3)CC2)C1 ZINC001031315448 800908533 /nfs/dbraw/zinc/90/85/33/800908533.db2.gz IIMNGLPJWQJEGM-UHFFFAOYSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)c2cc3cc(C)ccc3o2)C1 ZINC001031438445 800911346 /nfs/dbraw/zinc/91/13/46/800911346.db2.gz CNOJTDHBEYJZQT-UHFFFAOYSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC(CC)CC ZINC001032557366 800929904 /nfs/dbraw/zinc/92/99/04/800929904.db2.gz HRKSFZQQVTZIBS-HOTGVXAUSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCCC1(C)C ZINC001032809523 800935910 /nfs/dbraw/zinc/93/59/10/800935910.db2.gz QKJQXPPKKUOFIK-JYJNAYRXSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001033101370 800953228 /nfs/dbraw/zinc/95/32/28/800953228.db2.gz FOJCHBVANFURAU-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)C2CCCC2)C1 ZINC001033150737 800953723 /nfs/dbraw/zinc/95/37/23/800953723.db2.gz GYOUTWSYMFIQCX-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2C=CCCC2)C1 ZINC001033181266 800955854 /nfs/dbraw/zinc/95/58/54/800955854.db2.gz HAUHRZQBZBOQBS-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)C2(C)CCCCC2)C1 ZINC001033395341 800963138 /nfs/dbraw/zinc/96/31/38/800963138.db2.gz HQOMJMIUCMHKJM-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2sccc2C)C1 ZINC001033732560 800979455 /nfs/dbraw/zinc/97/94/55/800979455.db2.gz KXZSXKXSYXSCRB-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)C2C(C)(C)C2(C)C)C1 ZINC001033789668 800983746 /nfs/dbraw/zinc/98/37/46/800983746.db2.gz PUXIGCIHGBCZNG-CQSZACIVSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC=CCCC2)C1 ZINC001033871695 800984801 /nfs/dbraw/zinc/98/48/01/800984801.db2.gz GRNUWLBAHFVOCD-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2csc(C)c2C)C1 ZINC001033845343 800986101 /nfs/dbraw/zinc/98/61/01/800986101.db2.gz FULKUATVRFXKFH-CQSZACIVSA-N 1 1 292.448 3.087 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(C)sc2C)C1 ZINC001033891703 800987295 /nfs/dbraw/zinc/98/72/95/800987295.db2.gz FTUUCULNYZIVNE-AWEZNQCLSA-N 1 1 292.448 3.087 20 30 CGEDMO C=C1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001033944521 800991504 /nfs/dbraw/zinc/99/15/04/800991504.db2.gz GYOPPUVLJXPMEW-KRWDZBQOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=Cc1ccc(C(=O)N(CC)[C@H]2CC[N@@H+](CC(=C)C)C2)cc1 ZINC001033962288 800993858 /nfs/dbraw/zinc/99/38/58/800993858.db2.gz UQUWBTSTVXGYCK-SFHVURJKSA-N 1 1 298.430 3.442 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc3ccccc3o2)C1 ZINC001034036677 800995158 /nfs/dbraw/zinc/99/51/58/800995158.db2.gz VKLAMGJWWXMWHI-OAHLLOKOSA-N 1 1 298.386 3.155 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)C2CCCC2)C1 ZINC001034069356 801001206 /nfs/dbraw/zinc/00/12/06/801001206.db2.gz NFNQQGIZZHWZKY-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CC=CCC2)C1 ZINC001034103274 801005772 /nfs/dbraw/zinc/00/57/72/801005772.db2.gz ZDZVFEKNUDAHSS-LSDHHAIUSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC=CCC2)C1 ZINC001034103274 801005776 /nfs/dbraw/zinc/00/57/76/801005776.db2.gz ZDZVFEKNUDAHSS-LSDHHAIUSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)C2=CCCC2)C1 ZINC001034153653 801007205 /nfs/dbraw/zinc/00/72/05/801007205.db2.gz FYSZMGBNRHCIAH-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CC[N@H+]1CCCC[C@H](NC(=O)C2=CCCCCC2)C1 ZINC001034177595 801008644 /nfs/dbraw/zinc/00/86/44/801008644.db2.gz JGHQUBIXAMDKLO-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2cc(C)c(C)o2)C1 ZINC001034166076 801010014 /nfs/dbraw/zinc/01/00/14/801010014.db2.gz SIQMFCQSNAZAOP-OAHLLOKOSA-N 1 1 290.407 3.057 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)C(C)=C2CCC2)C1 ZINC001034198636 801010899 /nfs/dbraw/zinc/01/08/99/801010899.db2.gz NQVKFVSFHIZZLH-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2cc(C)cs2)C1 ZINC001034198813 801010967 /nfs/dbraw/zinc/01/09/67/801010967.db2.gz OGLHEIXXALSCEG-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@]2(C)C=CCC2)C1 ZINC001034349063 801017787 /nfs/dbraw/zinc/01/77/87/801017787.db2.gz ICSQLXAWSAIZLY-SJLPKXTDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@@H+](C/C=C\Cl)C2)C1 ZINC001034390366 801025538 /nfs/dbraw/zinc/02/55/38/801025538.db2.gz ZFABKISABUOAIJ-BRLPQQTGSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001034496528 801030340 /nfs/dbraw/zinc/03/03/40/801030340.db2.gz JCRZXJRQVUBSIV-ULQDDVLXSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)c3cccc(C)c3)CC[C@@H]21 ZINC001036630837 801084468 /nfs/dbraw/zinc/08/44/68/801084468.db2.gz MUXZTBOQBQXHBW-ROUUACIJSA-N 1 1 298.430 3.108 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C(F)=C(C)C)CC[C@@H]21 ZINC001036684435 801088006 /nfs/dbraw/zinc/08/80/06/801088006.db2.gz HQVUNWUGAYNOOB-CABCVRRESA-N 1 1 294.414 3.139 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)CCC3CCC3)CC[C@H]21 ZINC001036679231 801088500 /nfs/dbraw/zinc/08/85/00/801088500.db2.gz DBTBWTUFIGQZLJ-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(CC)CCC3)CC[C@H]21 ZINC001036794869 801092112 /nfs/dbraw/zinc/09/21/12/801092112.db2.gz CTDUFBBQUBGFMU-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)c1cscc1Cl ZINC001038379857 801124356 /nfs/dbraw/zinc/12/43/56/801124356.db2.gz MFNGQRODSXRNFX-LLVKDONJSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(CCC)s1 ZINC001038298801 801124964 /nfs/dbraw/zinc/12/49/64/801124964.db2.gz ZJFPHOWUBIDWQU-CYBMUJFWSA-N 1 1 292.448 3.081 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)C1CCC2(CC2)CC1 ZINC001038525139 801126749 /nfs/dbraw/zinc/12/67/49/801126749.db2.gz BZULOYUMYLQOBZ-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@H+]1CC[C@H]1CNC(=O)C1CC(C)(C)CC(C)(C)C1 ZINC001038553113 801128773 /nfs/dbraw/zinc/12/87/73/801128773.db2.gz QJYKDYNLHQRMMZ-HNNXBMFYSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CNC(=O)C1CC(C)(C)CC(C)(C)C1 ZINC001038553113 801128775 /nfs/dbraw/zinc/12/87/75/801128775.db2.gz QJYKDYNLHQRMMZ-HNNXBMFYSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(C)c1Cl ZINC001038828192 801134056 /nfs/dbraw/zinc/13/40/56/801134056.db2.gz YCBKLHGIFBROBF-ZDUSSCGKSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)csc1Cl ZINC001038959809 801137816 /nfs/dbraw/zinc/13/78/16/801137816.db2.gz YTOHXBCVIAPFEC-LLVKDONJSA-N 1 1 298.839 3.090 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1c(C)csc1Cl ZINC001038959809 801137820 /nfs/dbraw/zinc/13/78/20/801137820.db2.gz YTOHXBCVIAPFEC-LLVKDONJSA-N 1 1 298.839 3.090 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)C12CCC(CC1)CC2 ZINC001039044315 801141743 /nfs/dbraw/zinc/14/17/43/801141743.db2.gz YILATOHEKKQBHP-PQUAAJSLSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](C)CC)CC2)C1 ZINC001039105603 801147715 /nfs/dbraw/zinc/14/77/15/801147715.db2.gz XSXNNFKQCDXWTJ-WBVHZDCISA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC001039188919 801151891 /nfs/dbraw/zinc/15/18/91/801151891.db2.gz OHKWQHNSIPYWHA-INIZCTEOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)CC ZINC001039426842 801161354 /nfs/dbraw/zinc/16/13/54/801161354.db2.gz UQJCNBBNOJWTNZ-CABCVRRESA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1CC ZINC001039424659 801161457 /nfs/dbraw/zinc/16/14/57/801161457.db2.gz BNLMPCPHEIWEHS-SJORKVTESA-N 1 1 298.430 3.114 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1c(C)cccc1C ZINC001039442325 801162585 /nfs/dbraw/zinc/16/25/85/801162585.db2.gz ZNMRKGWPNRHGGQ-SJORKVTESA-N 1 1 298.430 3.168 20 30 CGEDMO C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC=C(C)C ZINC001039820324 801166574 /nfs/dbraw/zinc/16/65/74/801166574.db2.gz DLFPXIKFPXJLNJ-IYBDPMFKSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC=C(C)C ZINC001039820324 801166576 /nfs/dbraw/zinc/16/65/76/801166576.db2.gz DLFPXIKFPXJLNJ-IYBDPMFKSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)CC(C)(C)C)C2)C1 ZINC001040059675 801172546 /nfs/dbraw/zinc/17/25/46/801172546.db2.gz NSAMNSBHXZFWAW-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)C(C)C)C2)C1 ZINC001040218472 801175708 /nfs/dbraw/zinc/17/57/08/801175708.db2.gz ZTXXKTFPAOSBKJ-SFHVURJKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)CCC3CC3)C2)C1 ZINC001041151420 801186988 /nfs/dbraw/zinc/18/69/88/801186988.db2.gz CVJMWDLOLASXPN-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]2CCN(C(=O)C3(CC)CCC3)C[C@@H]21 ZINC001042192073 801202254 /nfs/dbraw/zinc/20/22/54/801202254.db2.gz WSCJLFJPGIRXJP-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3(CC)CCC3)C[C@H]21 ZINC001042192074 801202567 /nfs/dbraw/zinc/20/25/67/801202567.db2.gz WSCJLFJPGIRXJP-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H]2CCN(C(=O)C(C)(C)CC)C[C@H]21 ZINC001042208553 801204018 /nfs/dbraw/zinc/20/40/18/801204018.db2.gz SAQAKLVNDWVMDP-UONOGXRCSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)CC)C[C@H]21 ZINC001042208553 801204020 /nfs/dbraw/zinc/20/40/20/801204020.db2.gz SAQAKLVNDWVMDP-UONOGXRCSA-N 1 1 298.858 3.098 20 30 CGEDMO C[C@H]1CCN(c2[nH+]ccc3[nH]cc(C#N)c32)CCC1(F)F ZINC001164114743 806893758 /nfs/dbraw/zinc/89/37/58/806893758.db2.gz BCYXPULSPCYIHR-JTQLQIEISA-N 1 1 290.317 3.306 20 30 CGEDMO CCOC1CCC([N@H+]2CCc3ccc(C#N)cc3C2)CC1 ZINC001256436672 806897612 /nfs/dbraw/zinc/89/76/12/806897612.db2.gz NAQZGZHWXAGJBI-UHFFFAOYSA-N 1 1 284.403 3.264 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@H]2C[C@@]2(C)CC)CC1 ZINC001045606942 801282175 /nfs/dbraw/zinc/28/21/75/801282175.db2.gz ONKPKOACZBXGAA-UKRRQHHQSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)C)C2 ZINC001045981181 801297473 /nfs/dbraw/zinc/29/74/73/801297473.db2.gz QTAMZFCCBIRNCL-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)c2c(C)coc2C)C1 ZINC001046290794 801308061 /nfs/dbraw/zinc/30/80/61/801308061.db2.gz SEXGDTLZPHEXQW-QGZVFWFLSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2c(C)oc3ccccc32)C1 ZINC001046342729 801310540 /nfs/dbraw/zinc/31/05/40/801310540.db2.gz UWOMHHDTTKRDRZ-GOSISDBHSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001046638609 801318939 /nfs/dbraw/zinc/31/89/39/801318939.db2.gz YJHBOUYDIVDXNE-JFIYKMOQSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(C)c2Cl)C1 ZINC001046708712 801322291 /nfs/dbraw/zinc/32/22/91/801322291.db2.gz FOSOEIWXJCEKPR-MRXNPFEDSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccccc2Cl)C1 ZINC001046788328 801322645 /nfs/dbraw/zinc/32/26/45/801322645.db2.gz BVQCDTDAXYHDQJ-MRXNPFEDSA-N 1 1 292.810 3.110 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(Cl)cc2)C1 ZINC001046789757 801325603 /nfs/dbraw/zinc/32/56/03/801325603.db2.gz USZXDQSFETVAEC-INIZCTEOSA-N 1 1 292.810 3.110 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2oc3ccccc3c2C)C1 ZINC001046817500 801325654 /nfs/dbraw/zinc/32/56/54/801325654.db2.gz CUWJSDWJJPQEPW-GOSISDBHSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)C(C)(C)C)C[C@H]2C1 ZINC001048895515 801353225 /nfs/dbraw/zinc/35/32/25/801353225.db2.gz PQEHJRIYJQUYFN-OAGGEKHMSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccsc1 ZINC001049310603 801365692 /nfs/dbraw/zinc/36/56/92/801365692.db2.gz ZFHFSKUJSLJLGY-CABCVRRESA-N 1 1 290.432 3.003 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccc(C)c1 ZINC001049313362 801365823 /nfs/dbraw/zinc/36/58/23/801365823.db2.gz RQNIYWRCLNGOGW-ZWKOTPCHSA-N 1 1 298.430 3.250 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(F)=C1CCCC1 ZINC001049419146 801371945 /nfs/dbraw/zinc/37/19/45/801371945.db2.gz MLHLUNKQVWQYFK-HUUCEWRRSA-N 1 1 292.398 3.035 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC1(C)CCCC1 ZINC001049462671 801373713 /nfs/dbraw/zinc/37/37/13/801373713.db2.gz VVZJCJJAADLOHI-JKSUJKDBSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)C1CCC1 ZINC001049546830 801375556 /nfs/dbraw/zinc/37/55/56/801375556.db2.gz UFYCIJVNRVVYKM-DJIMGWMZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)C(C)C ZINC001049500749 801375889 /nfs/dbraw/zinc/37/58/89/801375889.db2.gz GAZUCRFXVAWZSG-CVEARBPZSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(C)CCCC1 ZINC001049627629 801378553 /nfs/dbraw/zinc/37/85/53/801378553.db2.gz TVRLDWRGVQVTRV-JKSUJKDBSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCCC ZINC001049639905 801380899 /nfs/dbraw/zinc/38/08/99/801380899.db2.gz RCRQEQGCBRGHBO-JKSUJKDBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1(C(C)C)CC1 ZINC001049705101 801385886 /nfs/dbraw/zinc/38/58/86/801385886.db2.gz CVYGICJWFBXTPJ-HZPDHXFCSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@](C)(C=C)CC ZINC001049700577 801386439 /nfs/dbraw/zinc/38/64/39/801386439.db2.gz XHDMGBCHJKDBHB-JZXOWHBKSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC(C)C ZINC001049699480 801386802 /nfs/dbraw/zinc/38/68/02/801386802.db2.gz HZQQVIDFGAGWNB-JFIYKMOQSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@](C)(C=C)CC ZINC001049700578 801387155 /nfs/dbraw/zinc/38/71/55/801387155.db2.gz XHDMGBCHJKDBHB-LZLYRXPVSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H](C)c1ccccc1 ZINC001049860286 801391305 /nfs/dbraw/zinc/39/13/05/801391305.db2.gz RTUKKKSPCSGMNL-NJAFHUGGSA-N 1 1 298.430 3.041 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C(C)=C2CCCC2)CC1 ZINC001052296063 801428236 /nfs/dbraw/zinc/42/82/36/801428236.db2.gz XSGLACHSWWKGHU-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C2=CCCC2)CC1 ZINC001052304127 801430090 /nfs/dbraw/zinc/43/00/90/801430090.db2.gz HDDSTSQNWFBKRR-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)C2CCC2)CC1 ZINC001052486012 801436565 /nfs/dbraw/zinc/43/65/65/801436565.db2.gz GSFCJJUFVYZBNW-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(=C)C)CC2)cc1 ZINC001052736809 801448218 /nfs/dbraw/zinc/44/82/18/801448218.db2.gz ZLQXVOUYNKNUTF-GOSISDBHSA-N 1 1 298.430 3.490 20 30 CGEDMO C[C@@H]1C[C@H](NC2(C#N)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001256528024 806911136 /nfs/dbraw/zinc/91/11/36/806911136.db2.gz XDUIBQYNAOGVTI-SJLPKXTDSA-N 1 1 297.446 3.465 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cl)cc2)CC1 ZINC001052885201 801455474 /nfs/dbraw/zinc/45/54/74/801455474.db2.gz PCIDOZQGLKMJOE-HNNXBMFYSA-N 1 1 292.810 3.110 20 30 CGEDMO CC[C@](C)(C#N)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256529265 806911446 /nfs/dbraw/zinc/91/14/46/806911446.db2.gz AWCLIHLKIPEFKC-CGTJXYLNSA-N 1 1 285.435 3.321 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCC)C2)C1 ZINC001052998884 801459829 /nfs/dbraw/zinc/45/98/29/801459829.db2.gz FHJQRWXCCXNXAA-IAGOWNOFSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCC)C1 ZINC001053063789 801465693 /nfs/dbraw/zinc/46/56/93/801465693.db2.gz RGWYPNXQYWXPGK-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C)CC)C2 ZINC001054090455 801473215 /nfs/dbraw/zinc/47/32/15/801473215.db2.gz BGOXFJWYCJAHTP-AEFFLSMTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CCC[C@]2(CC[N@H+](CC)C2)C1 ZINC001054138572 801475356 /nfs/dbraw/zinc/47/53/56/801475356.db2.gz SXHAMYUYDOJHRN-MRXNPFEDSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@]3(CC[N@H+](C(C)C)C3)C2)C1 ZINC001054192835 801479689 /nfs/dbraw/zinc/47/96/89/801479689.db2.gz KGYUKAIXYAEDBB-GOSISDBHSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)C3CC(C)(C)C3)cc2C1 ZINC001054263736 801485049 /nfs/dbraw/zinc/48/50/49/801485049.db2.gz BKZJDYRAIRKUHG-UHFFFAOYSA-N 1 1 298.430 3.241 20 30 CGEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)C3CC(C)(C)C3)cc2C1 ZINC001054263736 801485051 /nfs/dbraw/zinc/48/50/51/801485051.db2.gz BKZJDYRAIRKUHG-UHFFFAOYSA-N 1 1 298.430 3.241 20 30 CGEDMO CCN(CCC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001256552217 806915378 /nfs/dbraw/zinc/91/53/78/806915378.db2.gz ZUNMYWAQDUSHEB-FUHWJXTLSA-N 1 1 285.435 3.275 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256553523 806915507 /nfs/dbraw/zinc/91/55/07/806915507.db2.gz HXVPDIPFWPWXLD-NSHGMRRFSA-N 1 1 296.458 3.385 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C=C2CCCCC2)CC[C@@H]1C ZINC001071373647 801531748 /nfs/dbraw/zinc/53/17/48/801531748.db2.gz MLXYXLDEFILOQX-HOCLYGCPSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)CC2=CCCCC2)CC[C@@H]1C ZINC001071391750 801532896 /nfs/dbraw/zinc/53/28/96/801532896.db2.gz MULBESFBUHARQP-HOCLYGCPSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccsc2C)CC[C@@H]1C ZINC001071493308 801539977 /nfs/dbraw/zinc/53/99/77/801539977.db2.gz ACXZQGALWREUAX-JSGCOSHPSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)C(C)(C)C2CCCC2)CC[C@@H]1C ZINC001071574908 801543912 /nfs/dbraw/zinc/54/39/12/801543912.db2.gz QZLDCJUZAMHWSY-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2cc(C)sc2C)CC[C@H]1C ZINC001071660211 801546119 /nfs/dbraw/zinc/54/61/19/801546119.db2.gz RTNCIWZOYARJIW-BXUZGUMPSA-N 1 1 292.448 3.134 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2ccc(C=C)cc2)CC[C@@H]1C ZINC001071834665 801554048 /nfs/dbraw/zinc/55/40/48/801554048.db2.gz AYETXRHUROUPNZ-WMLDXEAASA-N 1 1 284.403 3.098 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2cccc(C)c2C)CC[C@@H]1C ZINC001072041248 801560685 /nfs/dbraw/zinc/56/06/85/801560685.db2.gz VRYUORICASGYMG-GOEBONIOSA-N 1 1 286.419 3.072 20 30 CGEDMO C=CCC[N@H+]1CCC2(CN(C(=O)CCC3CCCC3)C2)C1 ZINC001072418834 801571509 /nfs/dbraw/zinc/57/15/09/801571509.db2.gz BQLMNOFLNYUZNH-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@@H+]1CCC2(CN(C(=O)c3cccc(C(C)C)c3)C2)C1 ZINC001073103863 801576719 /nfs/dbraw/zinc/57/67/19/801576719.db2.gz QLQKGGRYAZVLIT-UHFFFAOYSA-N 1 1 298.430 3.144 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(C)c3)[C@@H]2C1 ZINC001075515024 801604985 /nfs/dbraw/zinc/60/49/85/801604985.db2.gz UFDWSJFCUSKTSC-ZWKOTPCHSA-N 1 1 298.430 3.108 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[N@@H+](CCC(C)C)C[C@H]21 ZINC001084635293 801669803 /nfs/dbraw/zinc/66/98/03/801669803.db2.gz VFCOLOHRWYQOQS-JFIYKMOQSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C)ccc3C)[C@@H]2C1 ZINC001084796705 801672513 /nfs/dbraw/zinc/67/25/13/801672513.db2.gz OKGVAHQTVZEUCG-SJLPKXTDSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1sccc1C ZINC001085460001 801687068 /nfs/dbraw/zinc/68/70/68/801687068.db2.gz VTJVGVWSELSPTD-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1occc1C(C)C ZINC001085779656 801702900 /nfs/dbraw/zinc/70/29/00/801702900.db2.gz AGIJXQAMXBMAMU-AWEZNQCLSA-N 1 1 290.407 3.125 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1occc1C(C)C ZINC001085779656 801702905 /nfs/dbraw/zinc/70/29/05/801702905.db2.gz AGIJXQAMXBMAMU-AWEZNQCLSA-N 1 1 290.407 3.125 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CCC(F)CC1 ZINC001085800885 801705851 /nfs/dbraw/zinc/70/58/51/801705851.db2.gz DVONCWNPEXWVJN-UYSNPLJNSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc(Cl)cs1 ZINC001085855634 801709485 /nfs/dbraw/zinc/70/94/85/801709485.db2.gz FGPCJSVWCQHYQU-GFCCVEGCSA-N 1 1 298.839 3.124 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(Cl)cs1 ZINC001085855634 801709488 /nfs/dbraw/zinc/70/94/88/801709488.db2.gz FGPCJSVWCQHYQU-GFCCVEGCSA-N 1 1 298.839 3.124 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1csc(Cl)c1 ZINC001085854225 801710267 /nfs/dbraw/zinc/71/02/67/801710267.db2.gz SZDIRSXFGHUDHL-LBPRGKRZSA-N 1 1 298.839 3.124 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1csc(Cl)c1 ZINC001085854225 801710270 /nfs/dbraw/zinc/71/02/70/801710270.db2.gz SZDIRSXFGHUDHL-LBPRGKRZSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1C1CCC1 ZINC001085950468 801715099 /nfs/dbraw/zinc/71/50/99/801715099.db2.gz GXEGICZSOZKCDN-INIZCTEOSA-N 1 1 298.430 3.286 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1C1CCC1 ZINC001085950468 801715105 /nfs/dbraw/zinc/71/51/05/801715105.db2.gz GXEGICZSOZKCDN-INIZCTEOSA-N 1 1 298.430 3.286 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2C)[C@H]1CC ZINC001087490102 801752896 /nfs/dbraw/zinc/75/28/96/801752896.db2.gz FZWMCQPMKXVZGG-DLBZAZTESA-N 1 1 286.419 3.154 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccoc2C(C)C)[C@H]1CC ZINC001087844152 801771364 /nfs/dbraw/zinc/77/13/64/801771364.db2.gz KGSXNOIBIWXDIB-LSDHHAIUSA-N 1 1 290.407 3.172 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C(CC)(CC)CC)C[C@@H]2C1 ZINC001088153263 801773040 /nfs/dbraw/zinc/77/30/40/801773040.db2.gz JWPZVFDIZOAREN-CVEARBPZSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](C[C@@H](C)CC)CC[C@@H]2C1 ZINC001088066228 801773830 /nfs/dbraw/zinc/77/38/30/801773830.db2.gz BXXPRCXGOSIVGH-XHSDSOJGSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CC2=CCCCC2)[C@H]1C ZINC001088496079 801797159 /nfs/dbraw/zinc/79/71/59/801797159.db2.gz CAQWIBMMIUXHRM-WBVHZDCISA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2csc(C)c2C)[C@H]1C ZINC001088590113 801803876 /nfs/dbraw/zinc/80/38/76/801803876.db2.gz KVZFAINZZGMMAI-DOMZBBRYSA-N 1 1 292.448 3.134 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)[C@H]1C ZINC001088993021 801815862 /nfs/dbraw/zinc/81/58/62/801815862.db2.gz LTKWFRIWYGSZBJ-VQHPVUNQSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C)c(C)c2)[C@H]1C ZINC001089018682 801817078 /nfs/dbraw/zinc/81/70/78/801817078.db2.gz VWEACOYKWXMRFM-WBVHZDCISA-N 1 1 286.419 3.072 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)ccc2C)[C@H]1C ZINC001089003300 801817169 /nfs/dbraw/zinc/81/71/69/801817169.db2.gz IQUDUFHPLVQIRE-WBVHZDCISA-N 1 1 286.419 3.072 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cccc3ccccc32)[C@H]1C ZINC001089016846 801817230 /nfs/dbraw/zinc/81/72/30/801817230.db2.gz XPPXTDNERLCKIO-KDOFPFPSSA-N 1 1 294.398 3.218 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2CC(C)C2)CC(C)(C)C1 ZINC001089356820 801834573 /nfs/dbraw/zinc/83/45/73/801834573.db2.gz FIDMCSDSJLNHMU-GPANFISMSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2(C)CCC2)CC(C)(C)C1 ZINC001089463943 801839194 /nfs/dbraw/zinc/83/91/94/801839194.db2.gz COSDAFWKCNZRKL-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2C)CC(C)(C)C1 ZINC001089457605 801839766 /nfs/dbraw/zinc/83/97/66/801839766.db2.gz CMCNAEDNQDNZTB-KWCYVHTRSA-N 1 1 298.858 3.002 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C=C1CCCCC1)C2 ZINC001095221071 801880863 /nfs/dbraw/zinc/88/08/63/801880863.db2.gz MRJMIJABIRCSCD-IKGGRYGDSA-N 1 1 288.435 3.175 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC1(C)C)C2 ZINC001095885041 801885523 /nfs/dbraw/zinc/88/55/23/801885523.db2.gz MZKNYYPUKLWYQU-WCVJEAGWSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(C)CC=C(C)CC1)C2 ZINC001096591057 801889520 /nfs/dbraw/zinc/88/95/20/801889520.db2.gz JLTWEHKMOGZPMK-CVYDXHPNSA-N 1 1 288.435 3.030 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1CCC)C2 ZINC001097807401 801904641 /nfs/dbraw/zinc/90/46/41/801904641.db2.gz QHLHVDZFJYNVJO-HHARLNAUSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C)CCCCC1)C2 ZINC001097777479 801905213 /nfs/dbraw/zinc/90/52/13/801905213.db2.gz GXBLXXOCHZOLAR-OAGGEKHMSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(CC)cc1)C2 ZINC001098317293 801910143 /nfs/dbraw/zinc/91/01/43/801910143.db2.gz OKUMKZXBCNGOEG-KURKYZTESA-N 1 1 298.430 3.160 20 30 CGEDMO C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)F ZINC001098863316 801918217 /nfs/dbraw/zinc/91/82/17/801918217.db2.gz UCUVVWJLGLLOPL-AWEZNQCLSA-N 1 1 298.446 3.308 20 30 CGEDMO C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC(C)(C)C ZINC001098910730 801919984 /nfs/dbraw/zinc/91/99/84/801919984.db2.gz NZASXMOHZMFCMN-HNNXBMFYSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)C1CC1 ZINC001099001744 801924617 /nfs/dbraw/zinc/92/46/17/801924617.db2.gz WHSBOAFMTQLEQK-GOEBONIOSA-N 1 1 292.467 3.215 20 30 CGEDMO C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)CCC ZINC001098983653 801924893 /nfs/dbraw/zinc/92/48/93/801924893.db2.gz SEQIXRFTSSSCKO-CVEARBPZSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)/C(C)=C\C ZINC001099000837 801924923 /nfs/dbraw/zinc/92/49/23/801924923.db2.gz NDENEUNRVUYVAY-ZDWRTJATSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)/C(C)=C\C ZINC001099000837 801924925 /nfs/dbraw/zinc/92/49/25/801924925.db2.gz NDENEUNRVUYVAY-ZDWRTJATSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)C1CC1 ZINC001099001745 801925065 /nfs/dbraw/zinc/92/50/65/801925065.db2.gz WHSBOAFMTQLEQK-HOCLYGCPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1(C)CCC1 ZINC001099175342 801932454 /nfs/dbraw/zinc/93/24/54/801932454.db2.gz HZPADNXVBFTHCN-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)CC ZINC001099208388 801934854 /nfs/dbraw/zinc/93/48/54/801934854.db2.gz QQEWREVXQSODOG-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC(CC)CC ZINC001099286261 801935790 /nfs/dbraw/zinc/93/57/90/801935790.db2.gz SGPJJVHMCUECNP-INIZCTEOSA-N 1 1 292.467 3.053 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H]2CN(C(=O)CC)C[C@]2(C)C1 ZINC001101098465 801972541 /nfs/dbraw/zinc/97/25/41/801972541.db2.gz AFWJUTYCHSJUSJ-WBVHZDCISA-N 1 1 280.456 3.147 20 30 CGEDMO C=C(C)CCC(=O)N1C[C@H]2C[N@H+](C[C@H](C)CC)C[C@@]2(C)C1 ZINC001101253595 801975472 /nfs/dbraw/zinc/97/54/72/801975472.db2.gz SAYPYOGBNALACI-NUJGCVRESA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)CC(C)C)C[C@]2(C)C1 ZINC001101421643 801977677 /nfs/dbraw/zinc/97/76/77/801977677.db2.gz PTECPBFBBULFAJ-JZXOWHBKSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H](CNC(=O)C2CCC2)[C@H](C)C1 ZINC001101660882 801984933 /nfs/dbraw/zinc/98/49/33/801984933.db2.gz SSKSYIBWJNBMTI-NVXWUHKLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](CNC(=O)/C(C)=C\CC)[C@H](C)C1 ZINC001101778982 801989936 /nfs/dbraw/zinc/98/99/36/801989936.db2.gz GFUWBNGMEHDKMU-KAZVVLCRSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)/C=C\C(C)(C)C)[C@H](C)C1 ZINC001101825066 801992621 /nfs/dbraw/zinc/99/26/21/801992621.db2.gz MWBJEPWZGQNZBM-PFBXESSKSA-N 1 1 298.858 3.025 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1C[N@@H+](CC[C@@H](C)F)C[C@H]1C ZINC001102006454 801998423 /nfs/dbraw/zinc/99/84/23/801998423.db2.gz COVNSTRTGYQRGZ-RBSFLKMASA-N 1 1 298.446 3.021 20 30 CGEDMO C=CC[N@H+]1C[C@@H](CNC(=O)C2(C)CCCCCC2)[C@H](C)C1 ZINC001102053865 801998502 /nfs/dbraw/zinc/99/85/02/801998502.db2.gz BGUGANLSXUQGEL-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1C ZINC001102222804 801999782 /nfs/dbraw/zinc/99/97/82/801999782.db2.gz GWPCSJMAJTVODK-YOIVVXPQSA-N 1 1 298.858 3.025 20 30 CGEDMO C=CCCCC(=O)NC[C@@H]1C[N@@H+]([C@H](C)CCC=C)C[C@H]1C ZINC001102297350 802003665 /nfs/dbraw/zinc/00/36/65/802003665.db2.gz VUWLESKMPBRBRP-BRWVUGGUSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)C[C@H]2C)CCC1 ZINC001102333092 802005957 /nfs/dbraw/zinc/00/59/57/802005957.db2.gz KDGOAPLWRWKOIG-HZPDHXFCSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)C2(CC)CC2)[C@H](C)C1 ZINC001102333305 802006452 /nfs/dbraw/zinc/00/64/52/802006452.db2.gz PCGFJFIJJUUDAE-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)CCCC(C)C)[C@H](C)C1 ZINC001102395940 802006958 /nfs/dbraw/zinc/00/69/58/802006958.db2.gz FLFAMPZQIJOPDH-HZPDHXFCSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H]2C[N@@H+](C[C@@H](C)CC)C[C@H]2C)C1 ZINC001102349492 802007084 /nfs/dbraw/zinc/00/70/84/802007084.db2.gz GTFZRPFSOBJEOY-NUEKZKHPSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H](CNC(=O)C(C)(C)C)[C@H](C)C1 ZINC001102526523 802011389 /nfs/dbraw/zinc/01/13/89/802011389.db2.gz DTHINLYQKDLCGE-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)CCC2(C)CC2)[C@H](C)C1 ZINC001102493838 802011657 /nfs/dbraw/zinc/01/16/57/802011657.db2.gz KOHDOPNGRIIXDU-TZMCWYRMSA-N 1 1 298.858 3.003 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2C[N@@H+](CCC)C[C@H]2C)CCCC1 ZINC001102621174 802012788 /nfs/dbraw/zinc/01/27/88/802012788.db2.gz NXHRBZXJOHZYBH-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CCC2)C1 ZINC001102632413 802016265 /nfs/dbraw/zinc/01/62/65/802016265.db2.gz VYCZPAOLJXULKN-HLLBOEOZSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C=C2CCCCC2)C1 ZINC001102737199 802018775 /nfs/dbraw/zinc/01/87/75/802018775.db2.gz AUOVMPWRNSASLO-NVXWUHKLSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)/C(C)=C/CC)C1 ZINC001102728494 802019197 /nfs/dbraw/zinc/01/91/97/802019197.db2.gz VMDAYOYSFGFUGK-DKXBRRKKSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)/C(C)=C\C)C1 ZINC001102838419 802021987 /nfs/dbraw/zinc/02/19/87/802021987.db2.gz DGJSWMCZYAFTJU-VXXNGAFASA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC(C)(C)C2)C1 ZINC001102939673 802023484 /nfs/dbraw/zinc/02/34/84/802023484.db2.gz VFWMLSFNQLKNMY-HUUCEWRRSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC(C)(C)CC(=O)NCC[C@@H]1C[N@@H+](CCC)C[C@H]1C ZINC001103033241 802026876 /nfs/dbraw/zinc/02/68/76/802026876.db2.gz BDLPYEPKAZTVJM-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[C@@H]1C[N@H+](CCC2CC2)C[C@H]1C ZINC001103311925 802028803 /nfs/dbraw/zinc/02/88/03/802028803.db2.gz RUXCEVZBEDUDKP-GDBMZVCRSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[C@@H]1C[N@@H+](C[C@H](C)CC)C[C@H]1C ZINC001103312055 802029721 /nfs/dbraw/zinc/02/97/21/802029721.db2.gz YXLYQALAVWAMPQ-BZUAXINKSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(CC)CCC2)C1 ZINC001103341500 802030143 /nfs/dbraw/zinc/03/01/43/802030143.db2.gz JHLXIPLFIPRALD-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCCC(=O)NCC[C@@H]1C[N@@H+](CC(C)C)C[C@H]1C ZINC001103385138 802033696 /nfs/dbraw/zinc/03/36/96/802033696.db2.gz FCNVIMRWHWVFRE-HZPDHXFCSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@@H](C)CC)C1 ZINC001103561605 802036474 /nfs/dbraw/zinc/03/64/74/802036474.db2.gz VEKZZJBUWICXHT-ARFHVFGLSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)CC)CCC[C@@H]12 ZINC001107291255 802084604 /nfs/dbraw/zinc/08/46/04/802084604.db2.gz QYXUJBPQXVKNCO-JFIYKMOQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC(CC=C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC)CC2 ZINC001107417714 802088357 /nfs/dbraw/zinc/08/83/57/802088357.db2.gz NZLRBLNUFOEFFD-SJLPKXTDSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(CC)CC ZINC001109055206 802108265 /nfs/dbraw/zinc/10/82/65/802108265.db2.gz SPQBHZKWBBTIEY-PMPSAXMXSA-N 1 1 278.440 3.110 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(=C)C ZINC001109683586 802122172 /nfs/dbraw/zinc/12/21/72/802122172.db2.gz SAVCHUKQJNOXDN-MUQADHOPSA-N 1 1 290.451 3.276 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC(C)(C)C)C2 ZINC001109872301 802125027 /nfs/dbraw/zinc/12/50/27/802125027.db2.gz IDGLGFWFLVRZOF-ILXRZTDVSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H](C)CC)C2 ZINC001109876647 802126839 /nfs/dbraw/zinc/12/68/39/802126839.db2.gz ULRCGOQTWXQCQP-WCVJEAGWSA-N 1 1 278.440 3.110 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC ZINC001110934587 802150050 /nfs/dbraw/zinc/15/00/50/802150050.db2.gz ITOGERXRCYTRMR-FPCVCCKLSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C1CC1)C2 ZINC001110928905 802150231 /nfs/dbraw/zinc/15/02/31/802150231.db2.gz KSJTWQPVBWKCMU-OAGGEKHMSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCC1 ZINC001110964513 802152886 /nfs/dbraw/zinc/15/28/86/802152886.db2.gz OLIIJOGTPNRKMS-ZACQAIPSSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(CC)CC)C2 ZINC001111431395 802160363 /nfs/dbraw/zinc/16/03/63/802160363.db2.gz AADQBWWQYGWIEW-KFWWJZLASA-N 1 1 278.440 3.110 20 30 CGEDMO C=C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C(C)C)c1ccccc1 ZINC001111443686 802160346 /nfs/dbraw/zinc/16/03/46/802160346.db2.gz SRYTVTUGLJQAIH-XDNAFOTISA-N 1 1 298.430 3.086 20 30 CGEDMO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCCCC)C2 ZINC001111648527 802164810 /nfs/dbraw/zinc/16/48/10/802164810.db2.gz CDQHKSFWSBQEDU-RDJZCZTQSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)CCCC)C1 ZINC001111732641 802166737 /nfs/dbraw/zinc/16/67/37/802166737.db2.gz WLQGLYUQXAALME-RYRKJORJSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)CCC)C1 ZINC001111673130 802166955 /nfs/dbraw/zinc/16/69/55/802166955.db2.gz YTZIQNSFWMMJMR-NOLJZWGESA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)CCC)C1 ZINC001111673130 802166961 /nfs/dbraw/zinc/16/69/61/802166961.db2.gz YTZIQNSFWMMJMR-NOLJZWGESA-N 1 1 298.858 3.146 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C=C2CCC2)C1 ZINC001111693460 802167340 /nfs/dbraw/zinc/16/73/40/802167340.db2.gz ZZYKVWYWBVQLMW-WMZOPIPTSA-N 1 1 288.435 3.034 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=C)C)C2 ZINC001111848987 802170970 /nfs/dbraw/zinc/17/09/70/802170970.db2.gz ZYGXHXZZUIIRGV-RYRKJORJSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)CC(C)C)C1 ZINC001111917918 802172831 /nfs/dbraw/zinc/17/28/31/802172831.db2.gz AWAZWMZAZHWVKY-RYRKJORJSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[NH+](CC/C=C/CC)CC1 ZINC001113388678 802218619 /nfs/dbraw/zinc/21/86/19/802218619.db2.gz JUSKTOXXYVWIQP-BQYQJAHWSA-N 1 1 278.440 3.089 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)[C@@H](C)CCCCCC)CC1 ZINC001113446896 802221401 /nfs/dbraw/zinc/22/14/01/802221401.db2.gz OQYKRVFQLJGULS-INIZCTEOSA-N 1 1 280.456 3.313 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC1CC1 ZINC001114091610 802238664 /nfs/dbraw/zinc/23/86/64/802238664.db2.gz ZUISHQLIFADHIF-VQFNDLOPSA-N 1 1 292.467 3.193 20 30 CGEDMO C=C(C)CCC(=O)NC1[C@H]2C[N@H+](CC/C=C\CCC)C[C@@H]12 ZINC001114348744 802241896 /nfs/dbraw/zinc/24/18/96/802241896.db2.gz PQBSQWSZVVFLSP-SXZNDUFUSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](CCCCCC)C[C@H]21 ZINC001114680160 802243053 /nfs/dbraw/zinc/24/30/53/802243053.db2.gz FFXFPMFOTWOSIC-ZSHCYNCHSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC(C)C)C[C@H]21 ZINC001114726555 802243630 /nfs/dbraw/zinc/24/36/30/802243630.db2.gz NTWGLWTVTGGYEE-LISAXSMJSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCCCC ZINC001115199649 802254563 /nfs/dbraw/zinc/25/45/63/802254563.db2.gz WRAXRGBLRMRELM-CBZIJGRNSA-N 1 1 292.467 3.358 20 30 CGEDMO C[C@H](Cc1ccncc1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001256749584 806972033 /nfs/dbraw/zinc/97/20/33/806972033.db2.gz QPOFRVDMRDDDGC-CQSZACIVSA-N 1 1 265.360 3.016 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OC)c(Cl)c1)CC1CC1 ZINC001116417525 802345701 /nfs/dbraw/zinc/34/57/01/802345701.db2.gz JKHYQYQLLUMFGS-UHFFFAOYSA-N 1 1 263.768 3.194 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(Oc2ccccc2)nn1)CC1CC1 ZINC001116423557 802345617 /nfs/dbraw/zinc/34/56/17/802345617.db2.gz JLWPLFVNFJRCQY-UHFFFAOYSA-N 1 1 293.370 3.114 20 30 CGEDMO C#CC[N@H+](Cc1ccc(Oc2ccccc2)nn1)CC1CC1 ZINC001116423557 802345626 /nfs/dbraw/zinc/34/56/26/802345626.db2.gz JLWPLFVNFJRCQY-UHFFFAOYSA-N 1 1 293.370 3.114 20 30 CGEDMO C[C@H](C#N)C[N@H+](Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC001116445610 802353025 /nfs/dbraw/zinc/35/30/25/802353025.db2.gz WCKMNLWXMKIIKM-OAHLLOKOSA-N 1 1 283.419 3.411 20 30 CGEDMO C[C@H](C#N)C[N@@H+](Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC001116445610 802353031 /nfs/dbraw/zinc/35/30/31/802353031.db2.gz WCKMNLWXMKIIKM-OAHLLOKOSA-N 1 1 283.419 3.411 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](CCOc2ccc(F)cc2Cl)C1 ZINC001116541806 802374228 /nfs/dbraw/zinc/37/42/28/802374228.db2.gz MSHQCPBZQIFFJK-ZDUSSCGKSA-N 1 1 299.773 3.135 20 30 CGEDMO CC(C)COCC[C@@H](C)[N@H+]1CCC[C@@H](C#N)CC1 ZINC001172475314 808341062 /nfs/dbraw/zinc/34/10/62/808341062.db2.gz HXBASBNQQRMQAD-HUUCEWRRSA-N 1 1 252.402 3.063 20 30 CGEDMO CCCCN1CCC([N@H+](C)[C@H](C)CCCC#N)CC1 ZINC001172501761 808358055 /nfs/dbraw/zinc/35/80/55/808358055.db2.gz FJTTUOOGCRPDPM-OAHLLOKOSA-N 1 1 265.445 3.265 20 30 CGEDMO CCCCN1CCC([N@@H+](C)[C@H](C)CCCC#N)CC1 ZINC001172501761 808358060 /nfs/dbraw/zinc/35/80/60/808358060.db2.gz FJTTUOOGCRPDPM-OAHLLOKOSA-N 1 1 265.445 3.265 20 30 CGEDMO CC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C(C)(C)C ZINC001117805342 802501318 /nfs/dbraw/zinc/50/13/18/802501318.db2.gz VHVVEUFLQDIWOW-UHFFFAOYSA-N 1 1 284.363 3.229 20 30 CGEDMO CCOc1ccc(C[N@@H+](C)C[C@H](C)CCC#N)cc1OC ZINC001119292241 802643322 /nfs/dbraw/zinc/64/33/22/802643322.db2.gz ZKKRUBCCUWICAN-CQSZACIVSA-N 1 1 290.407 3.466 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](C[C@H]2CCc3ccccc3C2)C1 ZINC001119292672 802643747 /nfs/dbraw/zinc/64/37/47/802643747.db2.gz DEFMZZROUQRRFE-YJBOKZPZSA-N 1 1 271.404 3.068 20 30 CGEDMO COc1cccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)c1C ZINC001119729353 802695564 /nfs/dbraw/zinc/69/55/64/802695564.db2.gz QXKKDWGIQXEASN-INIZCTEOSA-N 1 1 258.365 3.129 20 30 CGEDMO COc1cccc(C[N@H+]2CCC[C@@](C)(C#N)C2)c1C ZINC001119729353 802695566 /nfs/dbraw/zinc/69/55/66/802695566.db2.gz QXKKDWGIQXEASN-INIZCTEOSA-N 1 1 258.365 3.129 20 30 CGEDMO N#CC1CCC(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)CC1 ZINC001119740962 802696778 /nfs/dbraw/zinc/69/67/78/802696778.db2.gz SGSJFWXKHQBXOO-LADRWXRNSA-N 1 1 296.414 3.448 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](CC(C)(C)Oc2ccccc2)C1 ZINC001180318125 809992463 /nfs/dbraw/zinc/99/24/63/809992463.db2.gz WXKUUDBFNGGLNQ-MRXNPFEDSA-N 1 1 275.392 3.121 20 30 CGEDMO Cc1cc(F)c(C#N)c(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC001120014527 802725382 /nfs/dbraw/zinc/72/53/82/802725382.db2.gz NWNNXQRRIKYNNV-STQMWFEESA-N 1 1 273.355 3.045 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCC(C)C)C1 ZINC001120320697 802739143 /nfs/dbraw/zinc/73/91/43/802739143.db2.gz RTBSXMPAUJQKNU-SJORKVTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCCC)C1 ZINC001120321150 802739648 /nfs/dbraw/zinc/73/96/48/802739648.db2.gz WKLGRKUPOLMMHO-DLBZAZTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CC)C1 ZINC001120430068 802744486 /nfs/dbraw/zinc/74/44/86/802744486.db2.gz GZINCIZXZPERRE-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCOC(=O)N[C@@H]1CCC[N@H+](C2CCC(CC)CC2)C1 ZINC001256876234 806999100 /nfs/dbraw/zinc/99/91/00/806999100.db2.gz JYQWUJRPSLOZJM-HWOWSKLDSA-N 1 1 294.439 3.332 20 30 CGEDMO C=C(CC)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001123656262 802961180 /nfs/dbraw/zinc/96/11/80/802961180.db2.gz CMLSEEBISBIBGS-NVXWUHKLSA-N 1 1 286.419 3.122 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCCCCF)C1 ZINC001131895653 803355331 /nfs/dbraw/zinc/35/53/31/803355331.db2.gz LBNKWRJHOPGAIV-HUUCEWRRSA-N 1 1 284.419 3.062 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC/C=C/CC)C1 ZINC001131895236 803355592 /nfs/dbraw/zinc/35/55/92/803355592.db2.gz HFGZEYCOJLBXHY-BWVNKGDMSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)C=C2CCC2)CC[C@H]1C ZINC001131954685 803361241 /nfs/dbraw/zinc/36/12/41/803361241.db2.gz DWLYNDLSHFDFCX-GDBMZVCRSA-N 1 1 276.424 3.032 20 30 CGEDMO C#CCCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCC(=C)C)C1 ZINC001131971278 803362339 /nfs/dbraw/zinc/36/23/39/803362339.db2.gz FKJQQGYFVSYHPW-DLBZAZTESA-N 1 1 290.451 3.115 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)C2CC(C)(C)C2)CC[C@@H]1C ZINC001132000236 803365699 /nfs/dbraw/zinc/36/56/99/803365699.db2.gz ZLCSTEVJCIKAML-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](CCCC)C1 ZINC001132221762 803380464 /nfs/dbraw/zinc/38/04/64/803380464.db2.gz NNLRWWXRPTYWPC-GJZGRUSLSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@H+]1C[C@H](NC(=O)CCCC#CC)CC[C@H]1C ZINC001132224831 803381568 /nfs/dbraw/zinc/38/15/68/803381568.db2.gz RAPOIQJZQYQNDK-IAGOWNOFSA-N 1 1 290.451 3.115 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C2(CC=C)CCC2)CC[C@@H]1C ZINC001132282368 803391745 /nfs/dbraw/zinc/39/17/45/803391745.db2.gz KDCALUWLMPENNS-HOTGVXAUSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)C2(C(C)C)CC2)CC[C@@H]1C ZINC001132283041 803392062 /nfs/dbraw/zinc/39/20/62/803392062.db2.gz QJCIGFBMPQMARO-HOTGVXAUSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CCC)C2)CCC1 ZINC001132282052 803392844 /nfs/dbraw/zinc/39/28/44/803392844.db2.gz HPBZGEFHEDLGFD-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)CCC(C)(C)C)CC[C@@H]1C ZINC001132372334 803398059 /nfs/dbraw/zinc/39/80/59/803398059.db2.gz PZAAUEKACMOBBI-GJZGRUSLSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)CC(CC)CC)CC[C@H]1C ZINC001132392571 803399906 /nfs/dbraw/zinc/39/99/06/803399906.db2.gz MNQFYFMFOGAIEK-ZBFHGGJFSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)CCCCCC)CC[C@@H]1C ZINC001132463963 803406053 /nfs/dbraw/zinc/40/60/53/803406053.db2.gz KWZVYUQDOVTBEH-GJZGRUSLSA-N 1 1 266.429 3.112 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C(C)(CC)CC)CC[C@H]1C ZINC001132494578 803409113 /nfs/dbraw/zinc/40/91/13/803409113.db2.gz UPGKDICTGOFPAC-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO N#Cc1ccc(F)c(-c2cc(N3CCCC3)cc[nH+]2)c1 ZINC001244554299 803435866 /nfs/dbraw/zinc/43/58/66/803435866.db2.gz JBMJCXWBPUJXGJ-UHFFFAOYSA-N 1 1 267.307 3.360 20 30 CGEDMO CCc1cc(-c2ccc(-n3cc[nH+]c3C)nn2)ccc1C#N ZINC001244951266 803589282 /nfs/dbraw/zinc/58/92/82/803589282.db2.gz CZZDJLVGCPECHL-UHFFFAOYSA-N 1 1 289.342 3.072 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2nc3ccccc3s2)CC1 ZINC001136954870 803662221 /nfs/dbraw/zinc/66/22/21/803662221.db2.gz GLZQOPVEUOJHCJ-LBPRGKRZSA-N 1 1 271.389 3.422 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2nc3ccccc3s2)CC1 ZINC001136954870 803662224 /nfs/dbraw/zinc/66/22/24/803662224.db2.gz GLZQOPVEUOJHCJ-LBPRGKRZSA-N 1 1 271.389 3.422 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2c[nH]c3cccc(F)c23)C1 ZINC001136985791 803667636 /nfs/dbraw/zinc/66/76/36/803667636.db2.gz VSTRPOSDYZTKLF-GFCCVEGCSA-N 1 1 256.324 3.152 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2ccccc2[nH]1 ZINC001137319695 803714422 /nfs/dbraw/zinc/71/44/22/803714422.db2.gz KILHQCBNBMFBDT-DVSIDAKKSA-N 1 1 265.360 3.434 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2c[nH]c3ccc(F)cc23)C1 ZINC001137340209 803718596 /nfs/dbraw/zinc/71/85/96/803718596.db2.gz VTCBDYWRISOFTA-LBPRGKRZSA-N 1 1 271.339 3.433 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1c[nH]c2ncccc12 ZINC001137401907 803729257 /nfs/dbraw/zinc/72/92/57/803729257.db2.gz KUCWNOYOFWVBGV-UHFFFAOYSA-N 1 1 256.353 3.079 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1c[nH]c2ncccc12 ZINC001137401907 803729262 /nfs/dbraw/zinc/72/92/62/803729262.db2.gz KUCWNOYOFWVBGV-UHFFFAOYSA-N 1 1 256.353 3.079 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@@H](C)[C@H](C)C2)c(C#N)c1 ZINC001137699508 803760864 /nfs/dbraw/zinc/76/08/64/803760864.db2.gz JWEAHTWLYKARTK-ZIAGYGMSSA-N 1 1 272.392 3.435 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCCC[C@@H](F)C2)cc1OC ZINC001138343063 803898742 /nfs/dbraw/zinc/89/87/42/803898742.db2.gz FVXYEUIAKFXRFC-OAHLLOKOSA-N 1 1 291.366 3.031 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCCC[C@@H](F)C2)cc1OC ZINC001138343063 803898751 /nfs/dbraw/zinc/89/87/51/803898751.db2.gz FVXYEUIAKFXRFC-OAHLLOKOSA-N 1 1 291.366 3.031 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC[C@@H](F)CC2)cc1OC ZINC001138343743 803898837 /nfs/dbraw/zinc/89/88/37/803898837.db2.gz OSOLWNRLLIGHRY-OAHLLOKOSA-N 1 1 291.366 3.031 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2[nH]c3ccccc3c2C)C1 ZINC001138401017 803917179 /nfs/dbraw/zinc/91/71/79/803917179.db2.gz AJGCEIYWOGNGIS-CQSZACIVSA-N 1 1 252.361 3.322 20 30 CGEDMO COc1ccc2[nH]cc(C[N@H+]3CCC[C@H](C#N)CC3)c2c1 ZINC001138510667 803955408 /nfs/dbraw/zinc/95/54/08/803955408.db2.gz FLBIHLAPSHGBJN-ZDUSSCGKSA-N 1 1 283.375 3.302 20 30 CGEDMO CCCc1ccc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)s1 ZINC001138525801 803958689 /nfs/dbraw/zinc/95/86/89/803958689.db2.gz KINSKVNVYOAZHB-CQSZACIVSA-N 1 1 293.457 3.475 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCCC(F)(F)[C@H](F)C2)cc1 ZINC001138556012 803965860 /nfs/dbraw/zinc/96/58/60/803965860.db2.gz AXFJQVKHYUNLCZ-OAHLLOKOSA-N 1 1 297.320 3.268 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCCC(F)(F)[C@H](F)C2)cc1 ZINC001138556012 803965867 /nfs/dbraw/zinc/96/58/67/803965867.db2.gz AXFJQVKHYUNLCZ-OAHLLOKOSA-N 1 1 297.320 3.268 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)cc1 ZINC001138556483 803967363 /nfs/dbraw/zinc/96/73/63/803967363.db2.gz XWPFNVWDFBOBRG-ZBFHGGJFSA-N 1 1 291.341 3.176 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCCC[C@H]2CCOC)cc1 ZINC001138559462 803968782 /nfs/dbraw/zinc/96/87/82/803968782.db2.gz VIFICFFIKCEIQI-KRWDZBQOSA-N 1 1 287.403 3.090 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccccc2N2CCCC2)CC1 ZINC001138611925 803981533 /nfs/dbraw/zinc/98/15/33/803981533.db2.gz WVJVNOVLVSOIIP-MRXNPFEDSA-N 1 1 283.419 3.412 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CCCC[C@H](F)C2)c1O ZINC001138625504 803982553 /nfs/dbraw/zinc/98/25/53/803982553.db2.gz MQVOEZFVWPMGPO-HNNXBMFYSA-N 1 1 263.356 3.445 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CCC3(C2)CCOCC3)c1O ZINC001138629161 803986360 /nfs/dbraw/zinc/98/63/60/803986360.db2.gz QMRRSEMLMHHLNH-UHFFFAOYSA-N 1 1 287.403 3.123 20 30 CGEDMO C=CCc1cccc(C[N@@H+](CCC)CCC#N)c1O ZINC001138629018 803986791 /nfs/dbraw/zinc/98/67/91/803986791.db2.gz LHWXCHBYNFWTMN-UHFFFAOYSA-N 1 1 258.365 3.246 20 30 CGEDMO C=C(C)COc1ccccc1CN1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC001138665529 803997143 /nfs/dbraw/zinc/99/71/43/803997143.db2.gz ONDMCCGUHCHITM-IYBDPMFKSA-N 1 1 288.435 3.166 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC001138665529 803997150 /nfs/dbraw/zinc/99/71/50/803997150.db2.gz ONDMCCGUHCHITM-IYBDPMFKSA-N 1 1 288.435 3.166 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC001138665138 803997697 /nfs/dbraw/zinc/99/76/97/803997697.db2.gz HAKRGPXYNJOGGE-IRXDYDNUSA-N 1 1 287.403 3.110 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2c3cc[nH]c3ncc2Cl)C1 ZINC001138951093 804077875 /nfs/dbraw/zinc/07/78/75/804077875.db2.gz OVPZRCAMOCQWDW-NSHDSACASA-N 1 1 288.782 3.294 20 30 CGEDMO CCCCCCCC[C@H](O)CN1CCC[C@H](C[NH2+]C)C1 ZINC001246014757 804097517 /nfs/dbraw/zinc/09/75/17/804097517.db2.gz CUVNQLVKBPBSGP-SJORKVTESA-N 1 1 284.488 3.029 20 30 CGEDMO CCCCCCCC[C@H](O)C[NH2+]C[C@@H](N)CC(C)C ZINC001246000571 804098046 /nfs/dbraw/zinc/09/80/46/804098046.db2.gz LDGKYGZLEYRBRO-HOTGVXAUSA-N 1 1 272.477 3.061 20 30 CGEDMO CCCCCCCC[C@H](O)CNC[C@@H]([NH3+])CC(C)C ZINC001246000571 804098055 /nfs/dbraw/zinc/09/80/55/804098055.db2.gz LDGKYGZLEYRBRO-HOTGVXAUSA-N 1 1 272.477 3.061 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[NH2+]C[C@@H](N)CC ZINC001246005136 804098329 /nfs/dbraw/zinc/09/83/29/804098329.db2.gz QZBVXDOLHJNANI-HOTGVXAUSA-N 1 1 272.477 3.205 20 30 CGEDMO CCCCCCCCCC[C@H](O)CNC[C@@H]([NH3+])CC ZINC001246005136 804098340 /nfs/dbraw/zinc/09/83/40/804098340.db2.gz QZBVXDOLHJNANI-HOTGVXAUSA-N 1 1 272.477 3.205 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+]1C[C@@H](C)CC[C@@H]1CN ZINC001246019430 804099909 /nfs/dbraw/zinc/09/99/09/804099909.db2.gz HIAFDHKJWFFKSY-BBWFWOEESA-N 1 1 284.488 3.157 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1C[C@@H](C)CC[C@@H]1CN ZINC001246019430 804099922 /nfs/dbraw/zinc/09/99/22/804099922.db2.gz HIAFDHKJWFFKSY-BBWFWOEESA-N 1 1 284.488 3.157 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[N@@H+]1C[C@@H](N)C[C@H]1C ZINC001246066085 804106686 /nfs/dbraw/zinc/10/66/86/804106686.db2.gz RAJYTTYBDSWHJO-IKGGRYGDSA-N 1 1 284.488 3.300 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@H](C)[C@@](C)(O)CC1 ZINC001139029200 804112568 /nfs/dbraw/zinc/11/25/68/804112568.db2.gz RPEWSWJTDFYRPW-YJBOKZPZSA-N 1 1 289.419 3.234 20 30 CGEDMO Cn1ccc2c1cccc2C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001139158462 804145083 /nfs/dbraw/zinc/14/50/83/804145083.db2.gz AWFLQKNLLIQGLH-CQSZACIVSA-N 1 1 267.376 3.304 20 30 CGEDMO CCCCCCCC[C@@H](CC)[NH2+][C@H]1CN[C@@H]2CCO[C@@H]21 ZINC001246152260 804171025 /nfs/dbraw/zinc/17/10/25/804171025.db2.gz MGFIDGPZBBCDKQ-NCOADZHNSA-N 1 1 282.472 3.235 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc3cc(O)ccc3c2)C1 ZINC001139339047 804177965 /nfs/dbraw/zinc/17/79/65/804177965.db2.gz MFDYWLYENKJDKJ-CQSZACIVSA-N 1 1 265.356 3.391 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1ccc(-n2ccnc2)cc1 ZINC001139360244 804183771 /nfs/dbraw/zinc/18/37/71/804183771.db2.gz OEVOMACALFEHOR-UHFFFAOYSA-N 1 1 282.391 3.388 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1ccc(-n2ccnc2)cc1 ZINC001139360244 804183775 /nfs/dbraw/zinc/18/37/75/804183775.db2.gz OEVOMACALFEHOR-UHFFFAOYSA-N 1 1 282.391 3.388 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(-c3cnccn3)cc2)C1 ZINC001139393052 804186473 /nfs/dbraw/zinc/18/64/73/804186473.db2.gz CKIBYNCEITXDLA-HNNXBMFYSA-N 1 1 292.386 3.269 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)cc1F ZINC001139527154 804200529 /nfs/dbraw/zinc/20/05/29/804200529.db2.gz YYWZKYGVNYPHEB-UKRRQHHQSA-N 1 1 258.340 3.319 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](F)C(F)(F)CC2)c1 ZINC001139646783 804241467 /nfs/dbraw/zinc/24/14/67/804241467.db2.gz LWAITSJOTKZFKU-CYBMUJFWSA-N 1 1 286.272 3.267 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](F)C(F)(F)CC2)c1 ZINC001139646783 804241477 /nfs/dbraw/zinc/24/14/77/804241477.db2.gz LWAITSJOTKZFKU-CYBMUJFWSA-N 1 1 286.272 3.267 20 30 CGEDMO CCC[N@@H+](Cc1cc(C#N)ccc1F)C1CCOCC1 ZINC001139649718 804243605 /nfs/dbraw/zinc/24/36/05/804243605.db2.gz BJPPVYKZGZFEIZ-UHFFFAOYSA-N 1 1 276.355 3.088 20 30 CGEDMO COCC[C@@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1F ZINC001139651981 804243653 /nfs/dbraw/zinc/24/36/53/804243653.db2.gz ZTVLFEFVQTYDRV-HNNXBMFYSA-N 1 1 276.355 3.088 20 30 CGEDMO C[C@@]1(CF)CC[N@H+](Cc2cccc(Cl)c2C#N)C1 ZINC001139686658 804254304 /nfs/dbraw/zinc/25/43/04/804254304.db2.gz ATXOUHSOYLTFKK-AWEZNQCLSA-N 1 1 266.747 3.393 20 30 CGEDMO C[C@@]1(CF)CC[N@@H+](Cc2cccc(Cl)c2C#N)C1 ZINC001139686658 804254309 /nfs/dbraw/zinc/25/43/09/804254309.db2.gz ATXOUHSOYLTFKK-AWEZNQCLSA-N 1 1 266.747 3.393 20 30 CGEDMO CC(C)[N@@H+](C)[C@H]1CCN(Cc2cccc(Cl)c2C#N)C1 ZINC001139694006 804255791 /nfs/dbraw/zinc/25/57/91/804255791.db2.gz YEXQQOBEKAERIU-AWEZNQCLSA-N 1 1 291.826 3.126 20 30 CGEDMO CO[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2C#N)CC1 ZINC001139691865 804257018 /nfs/dbraw/zinc/25/70/18/804257018.db2.gz HRQYGGNQJLIWDG-CYBMUJFWSA-N 1 1 278.783 3.213 20 30 CGEDMO CO[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2C#N)CC1 ZINC001139691865 804257022 /nfs/dbraw/zinc/25/70/22/804257022.db2.gz HRQYGGNQJLIWDG-CYBMUJFWSA-N 1 1 278.783 3.213 20 30 CGEDMO CC1(C)C[N@@H+](Cc2c[nH]c3c2cccc3C#N)[C@](C)(CO)C1 ZINC001139702265 804259126 /nfs/dbraw/zinc/25/91/26/804259126.db2.gz YGQFDBMMHSQXLB-SFHVURJKSA-N 1 1 297.402 3.022 20 30 CGEDMO Cc1nc2c(s1)C[N@H+](Cc1ccc(C)c(C#N)c1)CC2 ZINC001139726240 804266666 /nfs/dbraw/zinc/26/66/66/804266666.db2.gz BLIDQFLOQUJURU-UHFFFAOYSA-N 1 1 283.400 3.190 20 30 CGEDMO Cc1nc2c(s1)C[N@@H+](Cc1ccc(C)c(C#N)c1)CC2 ZINC001139726240 804266678 /nfs/dbraw/zinc/26/66/78/804266678.db2.gz BLIDQFLOQUJURU-UHFFFAOYSA-N 1 1 283.400 3.190 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@H](F)C(F)(F)CC2)cc1C#N ZINC001139723187 804267624 /nfs/dbraw/zinc/26/76/24/804267624.db2.gz UVZCJJXOBWAMNR-AWEZNQCLSA-N 1 1 282.309 3.436 20 30 CGEDMO C=CCn1cc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)cn1 ZINC001139772614 804277044 /nfs/dbraw/zinc/27/70/44/804277044.db2.gz MPDQOPSVNQWOOH-CVEARBPZSA-N 1 1 259.397 3.081 20 30 CGEDMO C=CCn1cc(C[N@@H+](C)CCCc2ccccc2)cn1 ZINC001139770456 804277689 /nfs/dbraw/zinc/27/76/89/804277689.db2.gz NULZFDOVICXZIE-UHFFFAOYSA-N 1 1 269.392 3.134 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cc(F)ccc2Cl)no1 ZINC001212325088 815005835 /nfs/dbraw/zinc/00/58/35/815005835.db2.gz HCKMBRCPRJNXEO-LBPRGKRZSA-N 1 1 293.729 3.332 20 30 CGEDMO CCCCCCC[C@@H](CC)[NH2+][C@H]1CCNC[C@H]1OC ZINC001246349817 804299604 /nfs/dbraw/zinc/29/96/04/804299604.db2.gz PFJURHCYVBBYAA-OWCLPIDISA-N 1 1 270.461 3.092 20 30 CGEDMO N#Cc1cc(F)cc(C[N@H+]2CC[C@H](F)C(F)(F)CC2)c1 ZINC001139873289 804304669 /nfs/dbraw/zinc/30/46/69/804304669.db2.gz IKDXWVUFLOVUHT-ZDUSSCGKSA-N 1 1 286.272 3.267 20 30 CGEDMO N#Cc1cc(F)cc(C[N@@H+]2CC[C@H](F)C(F)(F)CC2)c1 ZINC001139873289 804304677 /nfs/dbraw/zinc/30/46/77/804304677.db2.gz IKDXWVUFLOVUHT-ZDUSSCGKSA-N 1 1 286.272 3.267 20 30 CGEDMO O=C1C=C2C[N@@H+](Cc3cncc4ccccc43)CC[C@H]2S1 ZINC001139894292 804321332 /nfs/dbraw/zinc/32/13/32/804321332.db2.gz POSIBSUYKSFTDX-MRXNPFEDSA-N 1 1 296.395 3.009 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3cncc4ccccc43)CC[C@H]2S1 ZINC001139894292 804321342 /nfs/dbraw/zinc/32/13/42/804321342.db2.gz POSIBSUYKSFTDX-MRXNPFEDSA-N 1 1 296.395 3.009 20 30 CGEDMO C#CC1(N[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCCCC1 ZINC001246461562 804342394 /nfs/dbraw/zinc/34/23/94/804342394.db2.gz DEMRDEVVLIOEHM-ZWKOTPCHSA-N 1 1 282.431 3.405 20 30 CGEDMO C#CC1(N[C@@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CCCCC1 ZINC001246461075 804342513 /nfs/dbraw/zinc/34/25/13/804342513.db2.gz BYIZZIAUCLSUGT-MOPGFXCFSA-N 1 1 296.458 3.275 20 30 CGEDMO N#Cc1ccc2[nH]cc(C[N@H+]3CC[C@@]4(C3)CCCCO4)c2c1 ZINC001140110253 804380404 /nfs/dbraw/zinc/38/04/04/804380404.db2.gz HHVXNKOCUOTAGC-GOSISDBHSA-N 1 1 295.386 3.185 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC001140382595 804426392 /nfs/dbraw/zinc/42/63/92/804426392.db2.gz VBVDBUDPGNRHRP-SFHVURJKSA-N 1 1 277.371 3.484 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC001140382595 804426396 /nfs/dbraw/zinc/42/63/96/804426396.db2.gz VBVDBUDPGNRHRP-SFHVURJKSA-N 1 1 277.371 3.484 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)cn1 ZINC001140543598 804457989 /nfs/dbraw/zinc/45/79/89/804457989.db2.gz CRNHPZVRDZEXDE-CQSZACIVSA-N 1 1 281.334 3.082 20 30 CGEDMO COc1ccccc1[C@H](C)[N@H+](C)Cc1ccc(C#N)nc1 ZINC001140545834 804458004 /nfs/dbraw/zinc/45/80/04/804458004.db2.gz MNCDNMPZUUXHCZ-ZDUSSCGKSA-N 1 1 281.359 3.155 20 30 CGEDMO COc1ccccc1[C@H](C)[N@@H+](C)Cc1ccc(C#N)nc1 ZINC001140545834 804458007 /nfs/dbraw/zinc/45/80/07/804458007.db2.gz MNCDNMPZUUXHCZ-ZDUSSCGKSA-N 1 1 281.359 3.155 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)cn1 ZINC001140545619 804458022 /nfs/dbraw/zinc/45/80/22/804458022.db2.gz GZTWRAOVDDAIIK-HNNXBMFYSA-N 1 1 281.334 3.082 20 30 CGEDMO N#Cc1c(Br)cccc1Nc1ccc[nH+]c1N ZINC001212402114 815019526 /nfs/dbraw/zinc/01/95/26/815019526.db2.gz SFDJZRFZVDONKQ-UHFFFAOYSA-N 1 1 289.136 3.042 20 30 CGEDMO N#Cc1cccc2c(Nc3ccc[nH+]c3N)cccc12 ZINC001212404138 815019834 /nfs/dbraw/zinc/01/98/34/815019834.db2.gz NIIPBEPHVBHNKA-UHFFFAOYSA-N 1 1 260.300 3.432 20 30 CGEDMO CC(C)[N@@H+](C)[C@H]1CCN(Cc2cc(C#N)ccc2Cl)C1 ZINC001140603997 804473211 /nfs/dbraw/zinc/47/32/11/804473211.db2.gz MPIYQFMZXODQNR-HNNXBMFYSA-N 1 1 291.826 3.126 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@@H+]1CCO[C@H]2CNCC[C@@H]21 ZINC001246664217 804486289 /nfs/dbraw/zinc/48/62/89/804486289.db2.gz LRZOLMPDTDWLCJ-IKGGRYGDSA-N 1 1 282.472 3.188 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CCO[C@H]2CNCC[C@@H]21 ZINC001246664217 804486290 /nfs/dbraw/zinc/48/62/90/804486290.db2.gz LRZOLMPDTDWLCJ-IKGGRYGDSA-N 1 1 282.472 3.188 20 30 CGEDMO CCCCCCCC[C@H](CC)[N@H+]1C[C@@H]2COC[C@H](C1)N2 ZINC001246678485 804492605 /nfs/dbraw/zinc/49/26/05/804492605.db2.gz WQHMZKRFUONXOA-BBWFWOEESA-N 1 1 282.472 3.188 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2N)C1 ZINC001140717042 804495872 /nfs/dbraw/zinc/49/58/72/804495872.db2.gz GPPRMAVCSDALSV-NSHDSACASA-N 1 1 263.772 3.048 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2N)C1 ZINC001140717042 804495877 /nfs/dbraw/zinc/49/58/77/804495877.db2.gz GPPRMAVCSDALSV-NSHDSACASA-N 1 1 263.772 3.048 20 30 CGEDMO CC[N@H+](Cc1ccncc1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140750911 804504597 /nfs/dbraw/zinc/50/45/97/804504597.db2.gz CFUKEVISEQPDDV-UHFFFAOYSA-N 1 1 287.313 3.254 20 30 CGEDMO CC[N@@H+](Cc1ccncc1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140750911 804504601 /nfs/dbraw/zinc/50/46/01/804504601.db2.gz CFUKEVISEQPDDV-UHFFFAOYSA-N 1 1 287.313 3.254 20 30 CGEDMO N#Cc1c(F)cc(C[N@H+]2CCC3(CCC3)C2)cc1F ZINC001140755228 804506894 /nfs/dbraw/zinc/50/68/94/804506894.db2.gz VYPIBAYBMSNNBH-UHFFFAOYSA-N 1 1 262.303 3.212 20 30 CGEDMO C[N@@H+](CCC(=O)c1ccccc1)C1CCC(C#N)CC1 ZINC001256969261 807020412 /nfs/dbraw/zinc/02/04/12/807020412.db2.gz CRUNNUKKBXDNNA-UHFFFAOYSA-N 1 1 270.376 3.274 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+](CC)[C@@H]3CCCNC3)C[C@H](C1)C2 ZINC001246856157 804563538 /nfs/dbraw/zinc/56/35/38/804563538.db2.gz YTPIRZWBUISHBF-LVYZTWJOSA-N 1 1 262.441 3.195 20 30 CGEDMO C=C1C[C@@H]2CC(N(CC)[C@@H]3CCC[NH2+]C3)C[C@H](C1)C2 ZINC001246856157 804563544 /nfs/dbraw/zinc/56/35/44/804563544.db2.gz YTPIRZWBUISHBF-LVYZTWJOSA-N 1 1 262.441 3.195 20 30 CGEDMO C[N@@H+](Cc1cccc(F)c1F)C1CCC(C#N)CC1 ZINC001256971440 807020805 /nfs/dbraw/zinc/02/08/05/807020805.db2.gz IBGHSAIJRQBRII-UHFFFAOYSA-N 1 1 264.319 3.479 20 30 CGEDMO C[C@H]1C[N@H+](C2CCC(C#N)CC2)CCN1Cc1ccccc1 ZINC001256973422 807021446 /nfs/dbraw/zinc/02/14/46/807021446.db2.gz QOAPMCBNGJFPGV-MUYFXNHWSA-N 1 1 297.446 3.275 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc2cccc(O)c2n1 ZINC001141021344 804573484 /nfs/dbraw/zinc/57/34/84/804573484.db2.gz DCBHMOTYDYAHLA-UHFFFAOYSA-N 1 1 256.349 3.338 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+](C3CC3)[C@@H]3CCCNC3)C[C@H](C1)C2 ZINC001246923438 804601996 /nfs/dbraw/zinc/60/19/96/804601996.db2.gz ZGSCOOSGAUCFGD-FZBAJKBMSA-N 1 1 274.452 3.338 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+](C3CC3)[C@@H]3CCCNC3)C[C@H](C1)C2 ZINC001246923438 804602001 /nfs/dbraw/zinc/60/20/01/804602001.db2.gz ZGSCOOSGAUCFGD-FZBAJKBMSA-N 1 1 274.452 3.338 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@]2(C1)CNCCO2 ZINC001246991040 804631804 /nfs/dbraw/zinc/63/18/04/804631804.db2.gz YDUVKOKAJXEBSE-DLBZAZTESA-N 1 1 282.472 3.190 20 30 CGEDMO CCCC[N@@H+](CC)Cc1ccc(C#N)c(SC)n1 ZINC001141929634 804680469 /nfs/dbraw/zinc/68/04/69/804680469.db2.gz YWUAWBQKUWXVAQ-UHFFFAOYSA-N 1 1 263.410 3.297 20 30 CGEDMO CC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)c(SC)n1 ZINC001141939206 804680952 /nfs/dbraw/zinc/68/09/52/804680952.db2.gz MRGDDSJMVLVINV-CYBMUJFWSA-N 1 1 261.394 3.050 20 30 CGEDMO N#C[C@@H]1CCC[N@H+]([C@H]2CCO[C@H](c3ccccc3)C2)C1 ZINC001256820635 806985637 /nfs/dbraw/zinc/98/56/37/806985637.db2.gz KGDNYGDLSITQPP-XIRDDKMYSA-N 1 1 270.376 3.142 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1ccnc2[nH]ccc21 ZINC001142881059 804778832 /nfs/dbraw/zinc/77/88/32/804778832.db2.gz NJKHUEVCCRRDPH-UHFFFAOYSA-N 1 1 256.353 3.079 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1ccnc2[nH]ccc21 ZINC001142881059 804778835 /nfs/dbraw/zinc/77/88/35/804778835.db2.gz NJKHUEVCCRRDPH-UHFFFAOYSA-N 1 1 256.353 3.079 20 30 CGEDMO C#CC[C@H]([NH3+])c1nc(-c2cc3ccoc3c(Cl)c2)no1 ZINC001247609964 804780231 /nfs/dbraw/zinc/78/02/31/804780231.db2.gz RJYYAWVDOFVGDW-NSHDSACASA-N 1 1 287.706 3.159 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2ccc(Cl)c(F)c2)no1 ZINC001247622387 804782666 /nfs/dbraw/zinc/78/26/66/804782666.db2.gz LIACKHDGNVXHPF-NSHDSACASA-N 1 1 281.718 3.495 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2ccc3cnccc3c2)no1 ZINC001247622204 804782843 /nfs/dbraw/zinc/78/28/43/804782843.db2.gz IHMLSIGDHSJEHF-AWEZNQCLSA-N 1 1 280.331 3.251 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2cc(C)c(OC)c(C)c2)no1 ZINC001247622159 804783511 /nfs/dbraw/zinc/78/35/11/804783511.db2.gz HIAACYXWKJURMS-ZDUSSCGKSA-N 1 1 287.363 3.328 20 30 CGEDMO N#Cc1ccc2c(C[N@H+]3CC[C@]4(C3)CCCOC4)c[nH]c2c1 ZINC001142922588 804784939 /nfs/dbraw/zinc/78/49/39/804784939.db2.gz NBIJMXYHFHHKJT-SFHVURJKSA-N 1 1 295.386 3.042 20 30 CGEDMO C[N@H+](CCC1CC1)Cc1c(F)ccc(C#N)c1F ZINC001143173879 804816602 /nfs/dbraw/zinc/81/66/02/804816602.db2.gz IEHCJWCXTSRHPE-UHFFFAOYSA-N 1 1 250.292 3.068 20 30 CGEDMO C[N@@H+](CCC1CC1)Cc1c(F)ccc(C#N)c1F ZINC001143173879 804816610 /nfs/dbraw/zinc/81/66/10/804816610.db2.gz IEHCJWCXTSRHPE-UHFFFAOYSA-N 1 1 250.292 3.068 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1c[nH]c2ccc(C(=O)OC)cc12 ZINC001143237491 804825154 /nfs/dbraw/zinc/82/51/54/804825154.db2.gz MSINBVAPFUQFLD-UHFFFAOYSA-N 1 1 299.374 3.080 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1c[nH]c2ccc(C(=O)OC)cc12 ZINC001143237491 804825162 /nfs/dbraw/zinc/82/51/62/804825162.db2.gz MSINBVAPFUQFLD-UHFFFAOYSA-N 1 1 299.374 3.080 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2nc3ccccc3cc2C)no1 ZINC001247963307 804857421 /nfs/dbraw/zinc/85/74/21/804857421.db2.gz MQEYIRYANMHUDZ-LBPRGKRZSA-N 1 1 280.331 3.169 20 30 CGEDMO CC[N@H+](C)Cc1nc(-c2ccc(C#N)c3ccccc23)no1 ZINC001248145773 804888197 /nfs/dbraw/zinc/88/81/97/804888197.db2.gz ITTFTRYNQVLLCB-UHFFFAOYSA-N 1 1 292.342 3.213 20 30 CGEDMO CC[N@@H+](C)Cc1nc(-c2ccc(C#N)c3ccccc23)no1 ZINC001248145773 804888204 /nfs/dbraw/zinc/88/82/04/804888204.db2.gz ITTFTRYNQVLLCB-UHFFFAOYSA-N 1 1 292.342 3.213 20 30 CGEDMO CC(C)(C)C[C@H]([NH3+])c1nc(-c2cccc(C#N)c2)no1 ZINC001248189595 804891473 /nfs/dbraw/zinc/89/14/73/804891473.db2.gz GGUVHMBMYPIENE-LBPRGKRZSA-N 1 1 270.336 3.044 20 30 CGEDMO CC(C)(C)C[C@@H]([NH3+])c1nc(-c2cc(F)cc(C#N)c2)no1 ZINC001248205147 804894725 /nfs/dbraw/zinc/89/47/25/804894725.db2.gz DTVRFKHBUFAWFQ-GFCCVEGCSA-N 1 1 288.326 3.183 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@@H+]1CCC(=O)[C@@H]2CCCC[C@H]21 ZINC001248748804 804982656 /nfs/dbraw/zinc/98/26/56/804982656.db2.gz WVDONZNUUHZLIE-QZTJIDSGSA-N 1 1 296.414 3.454 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCC(=O)[C@@H]2CCCC[C@H]21 ZINC001248748804 804982659 /nfs/dbraw/zinc/98/26/59/804982659.db2.gz WVDONZNUUHZLIE-QZTJIDSGSA-N 1 1 296.414 3.454 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@@H+]1CC[C@](C)(F)[C@H](F)C1 ZINC001248748261 804982813 /nfs/dbraw/zinc/98/28/13/804982813.db2.gz CYDKQPHIUQQZST-CVEARBPZSA-N 1 1 278.346 3.393 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CC[C@](C)(F)[C@H](F)C1 ZINC001248748261 804982818 /nfs/dbraw/zinc/98/28/18/804982818.db2.gz CYDKQPHIUQQZST-CVEARBPZSA-N 1 1 278.346 3.393 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2c[nH]c3nc(Cl)ccc23)C1 ZINC001144414346 804982918 /nfs/dbraw/zinc/98/29/18/804982918.db2.gz BWVBEJGEJUQOII-NSHDSACASA-N 1 1 288.782 3.342 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCc2cccc(O)c2C1 ZINC001248752437 804984084 /nfs/dbraw/zinc/98/40/84/804984084.db2.gz LTLCBLUQZRTXEM-UHFFFAOYSA-N 1 1 292.382 3.385 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1c1cnccn1 ZINC001248751744 804984383 /nfs/dbraw/zinc/98/43/83/804984383.db2.gz IXNWNZQGXJERTO-GOSISDBHSA-N 1 1 292.386 3.248 20 30 CGEDMO Cn1ccc(-c2ccc(C[N@H+]3CCC[C@@H](CC#N)C3)cc2)n1 ZINC001248766400 804988109 /nfs/dbraw/zinc/98/81/09/804988109.db2.gz OTKZMKXECNTFGU-HNNXBMFYSA-N 1 1 294.402 3.213 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)cc1 ZINC001144567326 805006191 /nfs/dbraw/zinc/00/61/91/805006191.db2.gz JRBQNBWQZMFDER-IAGOWNOFSA-N 1 1 267.372 3.002 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)cc1 ZINC001144567326 805006200 /nfs/dbraw/zinc/00/62/00/805006200.db2.gz JRBQNBWQZMFDER-IAGOWNOFSA-N 1 1 267.372 3.002 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC[C@@H](Oc3cccnc3)C2)cc1 ZINC001144573592 805008448 /nfs/dbraw/zinc/00/84/48/805008448.db2.gz MHQWECIYOYMJLA-LJQANCHMSA-N 1 1 292.382 3.106 20 30 CGEDMO Fc1ccc(-c2nc(C[NH+]3CCC(S)CC3)co2)cc1 ZINC001248855344 805021694 /nfs/dbraw/zinc/02/16/94/805021694.db2.gz JHCQIXYEGIWSTQ-UHFFFAOYSA-N 1 1 292.379 3.375 20 30 CGEDMO Cc1nc(C[N@@H+]2CCC[C@@H](CC#N)C2)ccc1Cl ZINC001248878278 805030936 /nfs/dbraw/zinc/03/09/36/805030936.db2.gz QZFMTDOVJLGVPR-LBPRGKRZSA-N 1 1 263.772 3.169 20 30 CGEDMO Cc1nc(C[N@H+]2CCC[C@@H](CC#N)C2)ccc1Cl ZINC001248878278 805030946 /nfs/dbraw/zinc/03/09/46/805030946.db2.gz QZFMTDOVJLGVPR-LBPRGKRZSA-N 1 1 263.772 3.169 20 30 CGEDMO N#Cc1ccn2ncc(C[N@@H+]3CC[C@H]3c3ccccc3)c2c1 ZINC001249113443 805092662 /nfs/dbraw/zinc/09/26/62/805092662.db2.gz IISXVXWFHSYTDY-KRWDZBQOSA-N 1 1 288.354 3.153 20 30 CGEDMO N#Cc1ccn2ncc(C[N@H+]3CC[C@H]3c3ccccc3)c2c1 ZINC001249113443 805092670 /nfs/dbraw/zinc/09/26/70/805092670.db2.gz IISXVXWFHSYTDY-KRWDZBQOSA-N 1 1 288.354 3.153 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)CC(C)(C)C)C2)C1 ZINC001146991084 805101377 /nfs/dbraw/zinc/10/13/77/805101377.db2.gz XNZUSQHEPJDJJE-OAHLLOKOSA-N 1 1 292.467 3.312 20 30 CGEDMO COC[C@H]1CCCC[N@H+]1Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249426692 805146318 /nfs/dbraw/zinc/14/63/18/805146318.db2.gz CGZHKIXPVYKVDR-MRXNPFEDSA-N 1 1 283.375 3.040 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2cc3ccc(C#N)cc3[nH]2)CC[C@]1(C)O ZINC001249426351 805146702 /nfs/dbraw/zinc/14/67/02/805146702.db2.gz MXMWRSFQELRGCS-UGSOOPFHSA-N 1 1 297.402 3.022 20 30 CGEDMO C[C@@]1(CF)CC[N@@H+](Cc2cc3ccc(C#N)cc3[nH]2)C1 ZINC001249427023 805146714 /nfs/dbraw/zinc/14/67/14/805146714.db2.gz NYTWQNGRTHDKCL-INIZCTEOSA-N 1 1 271.339 3.221 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2cc3ccc(C#N)cc3[nH]2)CC[C@@]1(C)O ZINC001249426350 805147444 /nfs/dbraw/zinc/14/74/44/805147444.db2.gz MXMWRSFQELRGCS-SCLBCKFNSA-N 1 1 297.402 3.022 20 30 CGEDMO C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H](C)C(CC)CC)C2)C1 ZINC001147830062 805152594 /nfs/dbraw/zinc/15/25/94/805152594.db2.gz PVRWUQPXLAHDTM-HNNXBMFYSA-N 1 1 292.467 3.169 20 30 CGEDMO CCCCCCC[N@H+]1CCC2(CN(C(=O)[C@H](F)CC)C2)C1 ZINC001148045988 805161102 /nfs/dbraw/zinc/16/11/02/805161102.db2.gz UKNYVYSORAWWEN-OAHLLOKOSA-N 1 1 298.446 3.239 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CC[N@H+](CCCCC)C2 ZINC001148216020 805167360 /nfs/dbraw/zinc/16/73/60/805167360.db2.gz JPXDZGUOLMQIID-KRWDZBQOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H](CCC)C(C)C)C2)C1 ZINC001148386286 805177567 /nfs/dbraw/zinc/17/75/67/805177567.db2.gz UGMFNGDWRZVHHB-INIZCTEOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(CN(C(=O)CC[C@@H](C)CC)C2)C1 ZINC001148484637 805187774 /nfs/dbraw/zinc/18/77/74/805187774.db2.gz KWYVWWJSNCKJEZ-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO CCCCCCCNC(=S)N1CCC([N@@H+](C)CC)CC1 ZINC001249641354 805197351 /nfs/dbraw/zinc/19/73/51/805197351.db2.gz YYYUIPORRVCNSB-UHFFFAOYSA-N 1 1 299.528 3.247 20 30 CGEDMO CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(F)F ZINC001151548851 805297545 /nfs/dbraw/zinc/29/75/45/805297545.db2.gz SJKFXXHBXOIIHS-CYBMUJFWSA-N 1 1 292.414 3.439 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)c1ccc(F)cc1 ZINC001151572409 805298966 /nfs/dbraw/zinc/29/89/66/805298966.db2.gz NTHQHWPDHFYWPK-GFCCVEGCSA-N 1 1 298.789 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)c1ccc(F)cc1 ZINC001151572409 805298972 /nfs/dbraw/zinc/29/89/72/805298972.db2.gz NTHQHWPDHFYWPK-GFCCVEGCSA-N 1 1 298.789 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)c1ccccc1F ZINC001151606219 805300135 /nfs/dbraw/zinc/30/01/35/805300135.db2.gz UVTFWYRQAKSTPF-GFCCVEGCSA-N 1 1 298.789 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)c1ccccc1F ZINC001151606219 805300143 /nfs/dbraw/zinc/30/01/43/805300143.db2.gz UVTFWYRQAKSTPF-GFCCVEGCSA-N 1 1 298.789 3.018 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)c1cc(Cl)c[nH]1 ZINC001151841284 805316240 /nfs/dbraw/zinc/31/62/40/805316240.db2.gz DXRCXKOUAMZPKM-GFCCVEGCSA-N 1 1 297.830 3.075 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)c1cc(C)oc1C ZINC001151852329 805317738 /nfs/dbraw/zinc/31/77/38/805317738.db2.gz LVXZCHZBBDUGDG-CYBMUJFWSA-N 1 1 292.423 3.303 20 30 CGEDMO C=CCCC(=O)NC[C@@H](C)[N@@H+](CC)CC1CC2(CCC2)C1 ZINC001152313895 805344599 /nfs/dbraw/zinc/34/45/99/805344599.db2.gz YTZZAEQVPDDZTI-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)CCC1CCC1 ZINC001152701945 805362607 /nfs/dbraw/zinc/36/26/07/805362607.db2.gz MWXSBXSVZIRPHQ-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@]1(C)CC=CCC1 ZINC001153561395 805402638 /nfs/dbraw/zinc/40/26/38/805402638.db2.gz ONCCPCFTYXFIHU-ZBFHGGJFSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@@]1(C)CC=CCC1 ZINC001153561395 805402643 /nfs/dbraw/zinc/40/26/43/805402643.db2.gz ONCCPCFTYXFIHU-ZBFHGGJFSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)C1(C2CCC2)CCC1 ZINC001154489174 805458700 /nfs/dbraw/zinc/45/87/00/805458700.db2.gz YQNMVLWJQIZJGC-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)C1(C2CC2)CCC1 ZINC001154500569 805460238 /nfs/dbraw/zinc/46/02/38/805460238.db2.gz BHURSHOVUUWURF-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1cc2cc(C)ccc2[nH]1 ZINC001154556182 805463753 /nfs/dbraw/zinc/46/37/53/805463753.db2.gz FDSINPYUUATJMR-CQSZACIVSA-N 1 1 299.418 3.103 20 30 CGEDMO C=C/C(C)=C\CC(=O)NC[C@@H](C)[N@H+](CC)CC(=C)Cl ZINC001154699535 805479040 /nfs/dbraw/zinc/47/90/40/805479040.db2.gz NTGUXSPQJQAXGS-ICDLMJIXSA-N 1 1 284.831 3.088 20 30 CGEDMO C=C/C(C)=C\CC(=O)NC[C@@H](C)[N@@H+](CC)CC(=C)Cl ZINC001154699535 805479044 /nfs/dbraw/zinc/47/90/44/805479044.db2.gz NTGUXSPQJQAXGS-ICDLMJIXSA-N 1 1 284.831 3.088 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)CC=C(C)C ZINC001154742767 805481390 /nfs/dbraw/zinc/48/13/90/805481390.db2.gz MQNKGXDNJFQFDW-JKSUJKDBSA-N 1 1 280.456 3.382 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)CCCC1CC1 ZINC001154742897 805481408 /nfs/dbraw/zinc/48/14/08/805481408.db2.gz OFGPDYUPHKSRIL-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@@H](C)[N@H+](CC)CC(=C)Cl ZINC001154750839 805483199 /nfs/dbraw/zinc/48/31/99/805483199.db2.gz CIULILWTQLCOQB-ZIAGYGMSSA-N 1 1 286.847 3.168 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)CC(=C)Cl ZINC001154750839 805483201 /nfs/dbraw/zinc/48/32/01/805483201.db2.gz CIULILWTQLCOQB-ZIAGYGMSSA-N 1 1 286.847 3.168 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@@H](C)[N@H+](CC)CCCC ZINC001154757054 805483340 /nfs/dbraw/zinc/48/33/40/805483340.db2.gz KNWDTSQVJHDKPI-HUUCEWRRSA-N 1 1 268.445 3.215 20 30 CGEDMO C=C(C)Cc1ccc(C2(N3CC[NH+](C)CC3)CC2)cc1 ZINC001250244036 805515888 /nfs/dbraw/zinc/51/58/88/805515888.db2.gz FQNZASFPXQYAPJ-UHFFFAOYSA-N 1 1 270.420 3.042 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(Cl)c(C)c1 ZINC001155011346 805522127 /nfs/dbraw/zinc/52/21/27/805522127.db2.gz PYAJQUIHNHJJRE-CYBMUJFWSA-N 1 1 294.826 3.275 20 30 CGEDMO COc1c(C)ccc(F)c1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001250251407 805523024 /nfs/dbraw/zinc/52/30/24/805523024.db2.gz QDTQNSTWMXISEJ-ZDUSSCGKSA-N 1 1 276.355 3.268 20 30 CGEDMO COc1c(C)ccc(F)c1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001250251407 805523031 /nfs/dbraw/zinc/52/30/31/805523031.db2.gz QDTQNSTWMXISEJ-ZDUSSCGKSA-N 1 1 276.355 3.268 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H](C)[N@@H+](CC)CCC(=C)C ZINC001155072963 805535344 /nfs/dbraw/zinc/53/53/44/805535344.db2.gz QFLFDTPDZWMUHT-WBVHZDCISA-N 1 1 280.456 3.382 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)c1ccsc1 ZINC001155200430 805555319 /nfs/dbraw/zinc/55/53/19/805555319.db2.gz PUZUBBSHRBKEMT-KGLIPLIRSA-N 1 1 294.464 3.254 20 30 CGEDMO CC(C)(C)OC(=O)[C@@H]([NH2+]C1CCC(C#N)CC1)C(C)(C)C ZINC001256962099 807017779 /nfs/dbraw/zinc/01/77/79/807017779.db2.gz CDIZSCJYARPRGX-JXQTWKCFSA-N 1 1 294.439 3.415 20 30 CGEDMO N#CC1CCC([N@H+]2CCC[C@H]2c2ccncc2)CC1 ZINC001256969050 807020217 /nfs/dbraw/zinc/02/02/17/807020217.db2.gz YKDTVNROYIQUIP-BCLQGDPASA-N 1 1 255.365 3.301 20 30 CGEDMO C[C@@]1(O)CCC[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257020550 807028799 /nfs/dbraw/zinc/02/87/99/807028799.db2.gz GYERPADFACGJLR-CTWPCTMYSA-N 1 1 298.430 3.431 20 30 CGEDMO C=CCCCC[N@H+](C)[C@H]1CC[C@H](C(=O)OCC)C1 ZINC001257062660 807038459 /nfs/dbraw/zinc/03/84/59/807038459.db2.gz FLDYFODLGVRZHY-KBPBESRZSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CCCCC[N@H+](C)[C@@H]1CC[C@@H](C(=O)OCC)C1 ZINC001257062663 807038611 /nfs/dbraw/zinc/03/86/11/807038611.db2.gz FLDYFODLGVRZHY-ZIAGYGMSSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@H]1CC[C@@H](C(=O)OCC)C1 ZINC001257066537 807041211 /nfs/dbraw/zinc/04/12/11/807041211.db2.gz ZFIBPDVYZJBEES-SJORKVTESA-N 1 1 287.403 3.406 20 30 CGEDMO CCC[C@@H](CC)[N@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001257264359 807079508 /nfs/dbraw/zinc/07/95/08/807079508.db2.gz LCQCTSPQVGBLHS-MRXNPFEDSA-N 1 1 286.423 3.044 20 30 CGEDMO CCC[C@H](CC)[N@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001257264358 807080202 /nfs/dbraw/zinc/08/02/02/807080202.db2.gz LCQCTSPQVGBLHS-INIZCTEOSA-N 1 1 286.423 3.044 20 30 CGEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@H](C)CCC)C2 ZINC001257319626 807104724 /nfs/dbraw/zinc/10/47/24/807104724.db2.gz ANNAPDNNPWQBOI-PMPSAXMXSA-N 1 1 267.413 3.001 20 30 CGEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+]([C@@H](C)CCC)CCO2 ZINC001257322696 807108647 /nfs/dbraw/zinc/10/86/47/807108647.db2.gz ZKSBYBVZKIOPES-YESZJQIVSA-N 1 1 281.440 3.249 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H](C)CC)[C@@H]2CC ZINC001257439747 807156752 /nfs/dbraw/zinc/15/67/52/807156752.db2.gz IYZVAWYIQIWCMA-INMHGKMJSA-N 1 1 278.440 3.207 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 ZINC001167263703 807172007 /nfs/dbraw/zinc/17/20/07/807172007.db2.gz CFZWAZGLZVGQNW-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 ZINC001167263702 807172201 /nfs/dbraw/zinc/17/22/01/807172201.db2.gz CFZWAZGLZVGQNW-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1c1ccc(NC2CC(=O)C2)cc1 ZINC001167348113 807184360 /nfs/dbraw/zinc/18/43/60/807184360.db2.gz PVFCYLMRYVKZOW-QGZVFWFLSA-N 1 1 270.376 3.153 20 30 CGEDMO N#Cc1cccc([C@H](O)C[N@H+]2CCC[C@@]3(CC=CCC3)C2)c1 ZINC001167382293 807188362 /nfs/dbraw/zinc/18/83/62/807188362.db2.gz XLTCUEUBWRSTJV-MOPGFXCFSA-N 1 1 296.414 3.414 20 30 CGEDMO CCCCCCCCCC[C@@H](C)[N@H+]1C[C@H](O)C[C@@H]1CO ZINC001257550149 807196270 /nfs/dbraw/zinc/19/62/70/807196270.db2.gz JNNYPFUGNGXSQZ-BRWVUGGUSA-N 1 1 285.472 3.333 20 30 CGEDMO COCC#CC[N@H+]1CCC[C@H](C)[C@@H]1c1ccc(C)cc1 ZINC001167478066 807197302 /nfs/dbraw/zinc/19/73/02/807197302.db2.gz KREITHGHCFAMMV-FUHWJXTLSA-N 1 1 271.404 3.418 20 30 CGEDMO C#CC[N@H+](CC#CC)CCOc1ccccc1C(F)(F)F ZINC001167504726 807200773 /nfs/dbraw/zinc/20/07/73/807200773.db2.gz OFZMEWZNOYOWCG-UHFFFAOYSA-N 1 1 295.304 3.043 20 30 CGEDMO C#CC[N@@H+](CC#CC)CCOc1ccccc1C(F)(F)F ZINC001167504726 807200779 /nfs/dbraw/zinc/20/07/79/807200779.db2.gz OFZMEWZNOYOWCG-UHFFFAOYSA-N 1 1 295.304 3.043 20 30 CGEDMO C[C@H](Nc1cc(Cl)cc(N)[nH+]1)c1cccc(C#N)c1 ZINC001167709374 807231115 /nfs/dbraw/zinc/23/11/15/807231115.db2.gz YGGITQBAPDMCJU-VIFPVBQESA-N 1 1 272.739 3.362 20 30 CGEDMO C=C1C[C@@H]2CC([NH2+]C(C)(C)C(=O)OCC)C[C@H](C1)C2 ZINC001257886389 807237316 /nfs/dbraw/zinc/23/73/16/807237316.db2.gz BZECUMOVEAQXIE-PBWFPOADSA-N 1 1 265.397 3.053 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3C[C@@H](CO)CC[C@@H]3C)C[C@H](C1)C2 ZINC001257892185 807242820 /nfs/dbraw/zinc/24/28/20/807242820.db2.gz VFBXGELESWWFLE-UIJGJVKASA-N 1 1 263.425 3.214 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CC[C@@H](c4nc(C)no4)C3)C[C@H](C1)C2 ZINC001257895205 807245595 /nfs/dbraw/zinc/24/55/95/807245595.db2.gz LJUASGRRPQQNNX-IUOOZAAYSA-N 1 1 287.407 3.302 20 30 CGEDMO Cc1[nH+]c(N)ccc1CNc1ncc2ccccc2c1C#N ZINC001167784796 807250458 /nfs/dbraw/zinc/25/04/58/807250458.db2.gz DBIVIKUTCIBQRO-UHFFFAOYSA-N 1 1 289.342 3.004 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CCO[C@@H]2C[C@@H](CO)C[C@H]21 ZINC001258045186 807273386 /nfs/dbraw/zinc/27/33/86/807273386.db2.gz YFVWPEMKWWLIDR-MWDXBVQZSA-N 1 1 283.456 3.207 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CC[C@H](N(C)C(C)=O)C1 ZINC001258049251 807275821 /nfs/dbraw/zinc/27/58/21/807275821.db2.gz CJZYDKIDXDDTSI-HOCLYGCPSA-N 1 1 268.445 3.288 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CCC(=O)N2CCC[C@@H]2C1 ZINC001258053319 807279885 /nfs/dbraw/zinc/27/98/85/807279885.db2.gz YUGOMOMJHVRRAT-JKSUJKDBSA-N 1 1 280.456 3.432 20 30 CGEDMO N#Cc1cccc(O[C@H]2CCC[N@H+]([C@H]3C[C@H]4C[C@H]4C3)C2)c1 ZINC001167950089 807281239 /nfs/dbraw/zinc/28/12/39/807281239.db2.gz BDOVIRJHDNBBCU-LHHMISFZSA-N 1 1 282.387 3.200 20 30 CGEDMO C[C@@H]1CC([NH2+]CCCS)C[C@@H](C)N1Cc1ccccc1 ZINC001168028188 807301694 /nfs/dbraw/zinc/30/16/94/807301694.db2.gz ONBMQHTVRAYFFT-HUUCEWRRSA-N 1 1 292.492 3.338 20 30 CGEDMO C[C@@H](Cc1ccco1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001258191177 807350665 /nfs/dbraw/zinc/35/06/65/807350665.db2.gz BMQQYHUDFLTDEC-ZDUSSCGKSA-N 1 1 254.333 3.214 20 30 CGEDMO CC(C)[NH+]1CC(Nc2nc(-c3ccccc3)ccc2C#N)C1 ZINC001168312056 807378587 /nfs/dbraw/zinc/37/85/87/807378587.db2.gz VFZNWRVRBHVBCA-UHFFFAOYSA-N 1 1 292.386 3.125 20 30 CGEDMO CCCCCCCCC[C@H](C)n1cnc(C[NH3+])n1 ZINC001258232035 807380739 /nfs/dbraw/zinc/38/07/39/807380739.db2.gz XHTIJVAJGOQNKN-ZDUSSCGKSA-N 1 1 252.406 3.439 20 30 CGEDMO C=CC[C@@H]([NH2+]C(CCCC)CCCC)C(=O)OC ZINC001258380568 807432721 /nfs/dbraw/zinc/43/27/21/807432721.db2.gz KOLPVUNBLDGGLI-CQSZACIVSA-N 1 1 255.402 3.443 20 30 CGEDMO C=CCOC[C@H]1CCC[C@@]12C[N@@H+]([C@H](C)CC1CC1)CCO2 ZINC001258461342 807464328 /nfs/dbraw/zinc/46/43/28/807464328.db2.gz CYWBSRGYLJJHTM-KBAYOESNSA-N 1 1 293.451 3.249 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)CCC(=O)OCC ZINC001258498058 807479450 /nfs/dbraw/zinc/47/94/50/807479450.db2.gz HPDYDTJGFCVJAC-HNNXBMFYSA-N 1 1 275.392 3.406 20 30 CGEDMO N#C[C@H]1CCC[N@H+]([C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168734685 807498506 /nfs/dbraw/zinc/49/85/06/807498506.db2.gz KGHPOQFOAJKDRJ-GXTWGEPZSA-N 1 1 274.795 3.433 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC12CN(C(=O)OC(C)(C)C)C2 ZINC001258726255 807573513 /nfs/dbraw/zinc/57/35/13/807573513.db2.gz PXUBPRHNACPOAE-CYBMUJFWSA-N 1 1 280.412 3.036 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@]2(CCCC(=O)N2CC=C)C1 ZINC001258729963 807576029 /nfs/dbraw/zinc/57/60/29/807576029.db2.gz ZQSUFEHLGXKLRQ-AEFFLSMTSA-N 1 1 290.451 3.374 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@]2(CCCC(=O)N2CC=C)C1 ZINC001258729968 807576101 /nfs/dbraw/zinc/57/61/01/807576101.db2.gz ZQSUFEHLGXKLRQ-WMZOPIPTSA-N 1 1 290.451 3.374 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCN(C)[C@@H](c2ccccc2)C1 ZINC001258730354 807577270 /nfs/dbraw/zinc/57/72/70/807577270.db2.gz FSPMCXYTEGAICZ-DOTOQJQBSA-N 1 1 258.409 3.330 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H]1C(=O)Nc1ccccc1 ZINC001258733493 807579640 /nfs/dbraw/zinc/57/96/40/807579640.db2.gz GXAQLDHLTCGBGT-ZBFHGGJFSA-N 1 1 272.392 3.444 20 30 CGEDMO C=CC[C@@](C)([NH2+][C@H](CCC)CCCC)C(=O)OC ZINC001258759073 807599003 /nfs/dbraw/zinc/59/90/03/807599003.db2.gz MWTPEFZKMXAXGP-UKRRQHHQSA-N 1 1 255.402 3.443 20 30 CGEDMO C#C[C@](C)(CC)Nc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC001169691487 807688469 /nfs/dbraw/zinc/68/84/69/807688469.db2.gz FABICNBJQIANPM-GOSISDBHSA-N 1 1 292.386 3.211 20 30 CGEDMO COc1ccc(N[NH+]=Cc2ccc(N)cc2Cl)cc1 ZINC001261223030 807717312 /nfs/dbraw/zinc/71/73/12/807717312.db2.gz HOEPKAPKAASSLC-UHFFFAOYSA-N 1 1 275.739 3.377 20 30 CGEDMO CCC[N@H+](CCN1CCCC1)Cc1c(C)cc(C#N)cc1C ZINC001170149406 807775981 /nfs/dbraw/zinc/77/59/81/807775981.db2.gz OCQXHHGWRKQNBC-UHFFFAOYSA-N 1 1 299.462 3.483 20 30 CGEDMO CCC[N@@H+](CCN1CCCC1)Cc1c(C)cc(C#N)cc1C ZINC001170149406 807775986 /nfs/dbraw/zinc/77/59/86/807775986.db2.gz OCQXHHGWRKQNBC-UHFFFAOYSA-N 1 1 299.462 3.483 20 30 CGEDMO N#CC1(c2ccccc2)CCC([N@H+]2C=C(N)C=CC2)CC1 ZINC001170371645 807830404 /nfs/dbraw/zinc/83/04/04/807830404.db2.gz HQFXPNSKIQEMJG-UHFFFAOYSA-N 1 1 279.387 3.062 20 30 CGEDMO C[C@@H]1CC(=O)CC[N@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170378600 807832761 /nfs/dbraw/zinc/83/27/61/807832761.db2.gz GNIJLZCJDJNTQC-LSJNQWAISA-N 1 1 296.414 3.444 20 30 CGEDMO C[C@H](CO)[N@@H+](Cc1cc(Cl)cc(C#N)c1)C1CCCC1 ZINC001262270479 807843564 /nfs/dbraw/zinc/84/35/64/807843564.db2.gz XSAPVICXACKEBN-GFCCVEGCSA-N 1 1 292.810 3.337 20 30 CGEDMO CC[N@@H+](CCC#N)[C@H]1CCc2cccc(Cl)c2C1 ZINC001170932640 807938269 /nfs/dbraw/zinc/93/82/69/807938269.db2.gz GEXGXPVEIFFXCL-ZDUSSCGKSA-N 1 1 262.784 3.433 20 30 CGEDMO C[C@H]1CCC(C)(C)[N@H+]1CCOc1ccccc1C#N ZINC001171078213 807980501 /nfs/dbraw/zinc/98/05/01/807980501.db2.gz JMSHCAJEZMDDOO-ZDUSSCGKSA-N 1 1 258.365 3.200 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H]1c1cnccn1 ZINC001171220857 808011425 /nfs/dbraw/zinc/01/14/25/808011425.db2.gz FADMIOYHVGLFLL-RDTXWAMCSA-N 1 1 292.386 3.116 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@H](C#N)CC1 ZINC001171224697 808012461 /nfs/dbraw/zinc/01/24/61/808012461.db2.gz UJLZNTLWRQDVIR-CABCVRRESA-N 1 1 267.376 3.115 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC2CCC1CC2 ZINC001171222475 808013129 /nfs/dbraw/zinc/01/31/29/808013129.db2.gz HKLBMAJXMZKENI-CBCUQQMYSA-N 1 1 254.377 3.364 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1[C@H]2CCC[N@H+](CC)[C@@H]2C1(C)C ZINC001264029832 808029457 /nfs/dbraw/zinc/02/94/57/808029457.db2.gz JWONNZTVWQBYBB-BMFZPTHFSA-N 1 1 292.467 3.214 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CCc2c(F)cccc2C1 ZINC001171438670 808057432 /nfs/dbraw/zinc/05/74/32/808057432.db2.gz UPWMMYXNYRZKHW-DMRZNYOFSA-N 1 1 284.378 3.450 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N(C)C[C@H]1CC[N@@H+]1CC/C=C/CC ZINC001264370958 808060785 /nfs/dbraw/zinc/06/07/85/808060785.db2.gz MYPIXOUZKOMKNI-NKHMXISVSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)CC(C)C ZINC001264376434 808062341 /nfs/dbraw/zinc/06/23/41/808062341.db2.gz JBQZHHULBBZCGR-HNNXBMFYSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C(CC)CC)C[C@@H]2C1 ZINC001264646263 808082875 /nfs/dbraw/zinc/08/28/75/808082875.db2.gz IBDSEZKUWFWVKF-UAGQMJEPSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2cccs2)C1 ZINC001265303588 808128011 /nfs/dbraw/zinc/12/80/11/808128011.db2.gz LEIUZCWYLNRZIK-KBPBESRZSA-N 1 1 292.448 3.008 20 30 CGEDMO C[C@@H]1C[C@@H](N2CCCC[C@@H]2C#N)C[N@H+]1Cc1ccccc1 ZINC001171762865 808133295 /nfs/dbraw/zinc/13/32/95/808133295.db2.gz MMMOJPPZRAAPKY-KBAYOESNSA-N 1 1 283.419 3.027 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](CC)C(C)C ZINC001265414947 808140935 /nfs/dbraw/zinc/14/09/35/808140935.db2.gz SQFOZDYAJYORFH-ZACQAIPSSA-N 1 1 292.467 3.310 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](CC)CCCC)C1 ZINC001265575754 808155509 /nfs/dbraw/zinc/15/55/09/808155509.db2.gz LLDFGRUMSIPWGG-DLBZAZTESA-N 1 1 292.467 3.054 20 30 CGEDMO CC#CC[N@@H+](Cc1ccccc1)[C@@H]1COC(C)(C)C1 ZINC001171937725 808156135 /nfs/dbraw/zinc/15/61/35/808156135.db2.gz UPMFFTSQGKMZIW-INIZCTEOSA-N 1 1 257.377 3.079 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](CNC(=O)C[C@@H]2C=CCCC2)C1 ZINC001265584901 808156885 /nfs/dbraw/zinc/15/68/85/808156885.db2.gz WVFXFNGHPFRJMN-SJORKVTESA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC(CC)CC ZINC001265655481 808165969 /nfs/dbraw/zinc/16/59/69/808165969.db2.gz IYLZHFUEUPULCN-MRXNPFEDSA-N 1 1 280.456 3.360 20 30 CGEDMO CCCCCCCC[N@@H+](C)[C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172021059 808166769 /nfs/dbraw/zinc/16/67/69/808166769.db2.gz GPDLPKPXUYLBOY-MRXNPFEDSA-N 1 1 280.456 3.432 20 30 CGEDMO SCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172061925 808168608 /nfs/dbraw/zinc/16/86/08/808168608.db2.gz JYYKKXWCGLHONG-BJWYYQGGSA-N 1 1 290.476 3.092 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC001265702862 808170884 /nfs/dbraw/zinc/17/08/84/808170884.db2.gz IUONSZJEROQDSA-ZBFHGGJFSA-N 1 1 292.467 3.215 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172175815 808189958 /nfs/dbraw/zinc/18/99/58/808189958.db2.gz DKLHJCIHFMWLMJ-CABCVRRESA-N 1 1 266.429 3.042 20 30 CGEDMO C=CC[N@@H+](CC)CCCNC(=O)c1ccc(F)c(Cl)c1 ZINC001266077247 808207780 /nfs/dbraw/zinc/20/77/80/808207780.db2.gz DKWBUQVTVCGIIH-UHFFFAOYSA-N 1 1 298.789 3.107 20 30 CGEDMO C=C/C(C)=C\CC(=O)N1CCC[C@H]([N@@H+](C)CC(=C)C)C1 ZINC001266107988 808212523 /nfs/dbraw/zinc/21/25/23/808212523.db2.gz NSAJOVBFYUWCET-TYWAAFNRSA-N 1 1 276.424 3.008 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(C)cc2)C1 ZINC001266117395 808214806 /nfs/dbraw/zinc/21/48/06/808214806.db2.gz SIIVQKOCZMBMEM-QGZVFWFLSA-N 1 1 286.419 3.108 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCCC1(F)F ZINC001172297572 808219584 /nfs/dbraw/zinc/21/95/84/808219584.db2.gz QBYWYYARADCTQK-BXUZGUMPSA-N 1 1 264.319 3.267 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H](c2cccnc2)C1 ZINC001172307024 808222024 /nfs/dbraw/zinc/22/20/24/808222024.db2.gz MDLIENPCNZCQPW-KXBFYZLASA-N 1 1 291.398 3.374 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001172315655 808225775 /nfs/dbraw/zinc/22/57/75/808225775.db2.gz PIXLEGIMUAGXEM-VBNZEHGJSA-N 1 1 290.357 3.466 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001172318541 808227651 /nfs/dbraw/zinc/22/76/51/808227651.db2.gz HCQJOSQELILWCC-XDKFSHSGSA-N 1 1 279.387 3.256 20 30 CGEDMO C#CCCCCC(=O)N[C@@H]1CCC[N@H+](CCCC(C)C)C1 ZINC001266214043 808228828 /nfs/dbraw/zinc/22/88/28/808228828.db2.gz ALAUZUJMXHYJED-QGZVFWFLSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)CCCCCC(C)C)C1 ZINC001266242845 808231779 /nfs/dbraw/zinc/23/17/79/808231779.db2.gz IEBLFXLVTHKJGO-INIZCTEOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCC[N@@H+](CC=C(C)C)C1 ZINC001266237075 808231944 /nfs/dbraw/zinc/23/19/44/808231944.db2.gz QDVXFNQRGSBLJX-WBVHZDCISA-N 1 1 278.440 3.136 20 30 CGEDMO C=C[C@H](CC)CC(=O)NCC[N@@H+](C)Cc1ccccc1C ZINC001266311522 808240119 /nfs/dbraw/zinc/24/01/19/808240119.db2.gz AAQDRRYUEPUNFI-MRXNPFEDSA-N 1 1 288.435 3.145 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCC[N@@H+](C)Cc1csc(C)c1 ZINC001266320649 808242159 /nfs/dbraw/zinc/24/21/59/808242159.db2.gz ONBRQMHVEGOKNT-MRXNPFEDSA-N 1 1 294.464 3.207 20 30 CGEDMO CC[C@@H](C)OCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001172345006 808243954 /nfs/dbraw/zinc/24/39/54/808243954.db2.gz BKXPFNXIAPWKHA-QCODTGAPSA-N 1 1 264.413 3.347 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)C=CCC2)C1 ZINC001266336589 808244889 /nfs/dbraw/zinc/24/48/89/808244889.db2.gz RUHPJKVDASSRBZ-WMZOPIPTSA-N 1 1 290.451 3.280 20 30 CGEDMO CC#CCCCC(=O)N[C@@H]1CC[N@H+](CC/C=C/CCC)C1 ZINC001266336359 808245000 /nfs/dbraw/zinc/24/50/00/808245000.db2.gz ODQFWGLRHUESIH-UGAXZCSASA-N 1 1 290.451 3.117 20 30 CGEDMO C#CCC1(C(=O)NCC[N@H+](C)C[C@H](C)CC)CCCCC1 ZINC001266365364 808250049 /nfs/dbraw/zinc/25/00/49/808250049.db2.gz YIAROCFUSXOSAJ-MRXNPFEDSA-N 1 1 292.467 3.054 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)[C@]1(C)CC=CCC1 ZINC001266392702 808256429 /nfs/dbraw/zinc/25/64/29/808256429.db2.gz NSDWUVPQAUAACY-QGZVFWFLSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)C(C)=C1CCC1 ZINC001266461042 808268799 /nfs/dbraw/zinc/26/87/99/808268799.db2.gz IIODOWKKSBNOGD-PBHICJAKSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)CC(C)=C(C)C)C1 ZINC001266464391 808270097 /nfs/dbraw/zinc/27/00/97/808270097.db2.gz ZURYZXPEAXBMLI-INIZCTEOSA-N 1 1 278.440 3.089 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001266517960 808280969 /nfs/dbraw/zinc/28/09/69/808280969.db2.gz QKMGZIHYDBHIGO-QGZVFWFLSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001266517437 808281232 /nfs/dbraw/zinc/28/12/32/808281232.db2.gz JTHNSQNLYFDGOD-QGZVFWFLSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CC[N@H+](CCNC(=O)CC1(C)CCCCC1)C1CC1 ZINC001266600055 808294880 /nfs/dbraw/zinc/29/48/80/808294880.db2.gz HRTWYXXHSFFPDP-UHFFFAOYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)CCC(C)C)C1 ZINC001266739617 808311098 /nfs/dbraw/zinc/31/10/98/808311098.db2.gz ASMYREUYCVXIBH-MRXNPFEDSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCCC(=O)NC[C@H]1CCCC[N@H+]1CCC1CC1 ZINC001266853562 808323985 /nfs/dbraw/zinc/32/39/85/808323985.db2.gz OCASWMINMAVMOO-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)c1ccsc1 ZINC001266855940 808324919 /nfs/dbraw/zinc/32/49/19/808324919.db2.gz IAVFTPPRAOZTHL-ZFWWWQNUSA-N 1 1 292.448 3.008 20 30 CGEDMO C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC001266855897 808325117 /nfs/dbraw/zinc/32/51/17/808325117.db2.gz HTMWBFGCNSNHNI-CVEARBPZSA-N 1 1 290.451 3.114 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC001172491934 808351999 /nfs/dbraw/zinc/35/19/99/808351999.db2.gz IIJRTPZJOWBKKP-RDJZCZTQSA-N 1 1 271.408 3.057 20 30 CGEDMO COc1ccc2c(c1)CC[N@@H+]([C@@H](C)CCCC#N)C2 ZINC001172494188 808353087 /nfs/dbraw/zinc/35/30/87/808353087.db2.gz RVAFGCVISXUWQS-ZDUSSCGKSA-N 1 1 258.365 3.136 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@H]1CCCN(C(=O)/C(C)=C\C)C1 ZINC001267102226 808358089 /nfs/dbraw/zinc/35/80/89/808358089.db2.gz DKVUSCHOAXAEPZ-BKZJWICZSA-N 1 1 278.440 3.230 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC[C@H]([N@@H+](C)CC=C(C)C)C1 ZINC001267111206 808359991 /nfs/dbraw/zinc/35/99/91/808359991.db2.gz NAUXSGDDHWUQDB-IRXDYDNUSA-N 1 1 292.467 3.478 20 30 CGEDMO CCCCCCCC[C@H](CC)[N@@H+](C)CC(=O)NC ZINC001172504802 808361158 /nfs/dbraw/zinc/36/11/58/808361158.db2.gz GNTUCFXYVWUNSY-AWEZNQCLSA-N 1 1 256.434 3.193 20 30 CGEDMO CCCCCCC[C@@H](CCC)[NH2+][C@@](N)(CC)CO ZINC001172508383 808364103 /nfs/dbraw/zinc/36/41/03/808364103.db2.gz JTZCFBFLMFDDPO-CABCVRRESA-N 1 1 258.450 3.163 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCN(C)[C@H](c2ccccc2)C1 ZINC001172507127 808364050 /nfs/dbraw/zinc/36/40/50/808364050.db2.gz PMGXLPBDOFSLJW-WBVHZDCISA-N 1 1 271.408 3.057 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]1CCCNC(=O)/C(C)=C/C ZINC001267164050 808372288 /nfs/dbraw/zinc/37/22/88/808372288.db2.gz AYLDBEGEBJHPLT-HSUWOCHWSA-N 1 1 278.440 3.280 20 30 CGEDMO C=C(C)CC[N@H+](CCCNC(=O)/C(C)=C/C)C(C)C ZINC001267243853 808391873 /nfs/dbraw/zinc/39/18/73/808391873.db2.gz MUVYWCJNHAMSMA-VIZOYTHASA-N 1 1 266.429 3.136 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1CCC[N@H+]1CC1=CCCCC1 ZINC001267270685 808401039 /nfs/dbraw/zinc/40/10/39/808401039.db2.gz VSRJBUKZXQTPRT-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)C(=C)C ZINC001267272822 808402387 /nfs/dbraw/zinc/40/23/87/808402387.db2.gz TXIPZEJARUGCCH-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC[N@@H+]1C[C@@H](C)CC ZINC001267272111 808403399 /nfs/dbraw/zinc/40/33/99/808403399.db2.gz IRFHNUUKPZKECK-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001267286846 808405540 /nfs/dbraw/zinc/40/55/40/808405540.db2.gz APQZJIXAEOGARN-KRWDZBQOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001267299423 808406932 /nfs/dbraw/zinc/40/69/32/808406932.db2.gz YHKKBYDFQLVNCS-HNNXBMFYSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CC[N@H+](CCC(=C)C)C2)CCC1 ZINC001267302396 808408839 /nfs/dbraw/zinc/40/88/39/808408839.db2.gz PJHVIJYRYDXRJC-MRXNPFEDSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)C ZINC001267423503 808425366 /nfs/dbraw/zinc/42/53/66/808425366.db2.gz PWBATOJFFGGFEY-ZACQAIPSSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CCNC(=O)c2ccccc2C)C1 ZINC001267502348 808435274 /nfs/dbraw/zinc/43/52/74/808435274.db2.gz RTERVYRSLURPBF-INIZCTEOSA-N 1 1 286.419 3.013 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)[C@H](C)c1ccc(C)o1)C(C)C ZINC001267510271 808437109 /nfs/dbraw/zinc/43/71/09/808437109.db2.gz IXHMXDHJIRGKHG-OAHLLOKOSA-N 1 1 292.423 3.094 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1CCC[N@@H+](C/C=C/Cl)C1 ZINC001267613385 808458831 /nfs/dbraw/zinc/45/88/31/808458831.db2.gz GTNXHNDEHHKKRF-WCLQSUPFSA-N 1 1 296.842 3.088 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1CCC[N@H+](C/C=C/Cl)C1 ZINC001267613385 808458837 /nfs/dbraw/zinc/45/88/37/808458837.db2.gz GTNXHNDEHHKKRF-WCLQSUPFSA-N 1 1 296.842 3.088 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)C(C)(C)C2CC2)C1 ZINC001267629321 808460368 /nfs/dbraw/zinc/46/03/68/808460368.db2.gz SAHCMRKNUDAJCQ-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC)CCCC)C1 ZINC001267633377 808462084 /nfs/dbraw/zinc/46/20/84/808462084.db2.gz XWERQBLNCCLXKF-IRXDYDNUSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)CCCCCC)C1 ZINC001267632984 808463003 /nfs/dbraw/zinc/46/30/03/808463003.db2.gz YCIGUXDMNRLXQI-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CC[N@H+](C)C[C@H]1CCN(C(=O)C[C@H](C)CCCCC)C1 ZINC001267689262 808471406 /nfs/dbraw/zinc/47/14/06/808471406.db2.gz CPZHHMDQFMWRPO-IAGOWNOFSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CC[N@@H+]1CCC2(C1)CCN(C(=O)CC[C@H](C)CC)CC2 ZINC001267974137 808522534 /nfs/dbraw/zinc/52/25/34/808522534.db2.gz NQQLNRZNPUNNBS-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+](C)CCC1CCN(C(=O)[C@@]2(C)C=CCC2)CC1 ZINC001268199083 808555306 /nfs/dbraw/zinc/55/53/06/808555306.db2.gz ATZGVPFTUSSFRM-SFHVURJKSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC23CC3)C1 ZINC001268202442 808555345 /nfs/dbraw/zinc/55/53/45/808555345.db2.gz WOJIYRKQKSKIHD-HOTGVXAUSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001268225072 808560076 /nfs/dbraw/zinc/56/00/76/808560076.db2.gz VFACHZYTCVRFHT-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)c1occc1C(C)C ZINC001268246852 808567977 /nfs/dbraw/zinc/56/79/77/808567977.db2.gz DBJQHDAFQQTAFF-UHFFFAOYSA-N 1 1 292.423 3.373 20 30 CGEDMO CC[C@@H]1CC[C@@H]([N@H+]2CCc3ccc(C#N)cc3C2)C1 ZINC001173271685 808576184 /nfs/dbraw/zinc/57/61/84/808576184.db2.gz FXYUISSHVNCTCE-CXAGYDPISA-N 1 1 254.377 3.495 20 30 CGEDMO C=CCOC1CCC([N@@H+](CCC[NH3+])C2CCCCC2)CC1 ZINC001173312412 808606508 /nfs/dbraw/zinc/60/65/08/808606508.db2.gz ZEXADUKPQPIQEG-UHFFFAOYSA-N 1 1 294.483 3.484 20 30 CGEDMO C=CCOC1CCC([N@H+](CCC#N)Cc2cccnc2)CC1 ZINC001173322246 808611455 /nfs/dbraw/zinc/61/14/55/808611455.db2.gz ZYHCXQSEONDGKG-UHFFFAOYSA-N 1 1 299.418 3.311 20 30 CGEDMO C=CCOC1CCC([N@@H+](CCC#N)Cc2cccnc2)CC1 ZINC001173322246 808611459 /nfs/dbraw/zinc/61/14/59/808611459.db2.gz ZYHCXQSEONDGKG-UHFFFAOYSA-N 1 1 299.418 3.311 20 30 CGEDMO C=CCOC1CCC([N@H+]2CCC[C@@H](OCC)C2)CC1 ZINC001173321089 808611626 /nfs/dbraw/zinc/61/16/26/808611626.db2.gz WEZMNYQBKCSXHZ-UYSNPLJNSA-N 1 1 267.413 3.001 20 30 CGEDMO C=CCOC1CCC([N@@H+]2CC[C@H](C)C(F)(F)C2)CC1 ZINC001173321605 808611689 /nfs/dbraw/zinc/61/16/89/808611689.db2.gz MVKRKRYVFJCZLO-HSBZDZAISA-N 1 1 273.367 3.477 20 30 CGEDMO C=CCOC1CCC([N@H+]2CC[C@H](C)C(F)(F)C2)CC1 ZINC001173321605 808611694 /nfs/dbraw/zinc/61/16/94/808611694.db2.gz MVKRKRYVFJCZLO-HSBZDZAISA-N 1 1 273.367 3.477 20 30 CGEDMO C=CCOC1CCC([N@H+]2CCC[C@@H]2c2cnccn2)CC1 ZINC001173327245 808612528 /nfs/dbraw/zinc/61/25/28/808612528.db2.gz KOEBXIKAXVFKRA-VMBOVVBDSA-N 1 1 287.407 3.127 20 30 CGEDMO C[N@@H+](CCc1ccccn1)C1CCC(CC#N)CC1 ZINC001173331730 808616216 /nfs/dbraw/zinc/61/62/16/808616216.db2.gz GEWOOQSWMRRKRF-UHFFFAOYSA-N 1 1 257.381 3.028 20 30 CGEDMO C=CCCCC(=O)N[C@H](C)C[N@@H+](C)CCC(C)(C)C ZINC001268742512 808619536 /nfs/dbraw/zinc/61/95/36/808619536.db2.gz IFVIBXLCQNNZJU-CQSZACIVSA-N 1 1 268.445 3.215 20 30 CGEDMO C#Cc1ccc(C(=O)N[C@H](C)C[N@H+](C)CC/C=C\CC)cc1 ZINC001268741810 808619672 /nfs/dbraw/zinc/61/96/72/808619672.db2.gz YOJSUENYNGCNEK-XITLMJRVSA-N 1 1 298.430 3.074 20 30 CGEDMO N#CCC1CCC([N@H+]2CCC[C@@H]2c2cnccn2)CC1 ZINC001173339149 808620207 /nfs/dbraw/zinc/62/02/07/808620207.db2.gz MTXRJQDCABOKCS-ZBCRRDGASA-N 1 1 270.380 3.086 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)CC2(C)CC2)C1 ZINC001269046492 808644295 /nfs/dbraw/zinc/64/42/95/808644295.db2.gz NDGFENDSMAFEGY-HNNXBMFYSA-N 1 1 280.456 3.338 20 30 CGEDMO CC1(C#N)CCC([N@@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)CC1 ZINC001173593382 808649565 /nfs/dbraw/zinc/64/95/65/808649565.db2.gz IBGBWXUXCBHMMI-SEXGHCQPSA-N 1 1 294.398 3.371 20 30 CGEDMO C[C@H]1CC[N@@H+](C2CCC(C)(C#N)CC2)CC1(F)F ZINC001173594050 808649728 /nfs/dbraw/zinc/64/97/28/808649728.db2.gz PYCQNYMKAYNDIJ-HIFPTAJRSA-N 1 1 256.340 3.436 20 30 CGEDMO C[C@H]1CC[N@H+](C2CCC(C)(C#N)CC2)CC1(F)F ZINC001173594050 808649730 /nfs/dbraw/zinc/64/97/30/808649730.db2.gz PYCQNYMKAYNDIJ-HIFPTAJRSA-N 1 1 256.340 3.436 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](CCC2=CCCCC2)C1 ZINC001269134878 808650496 /nfs/dbraw/zinc/65/04/96/808650496.db2.gz ULRSQTLWIQFZNE-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO CCCCOC(=O)[C@@H]1CC[N@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173597515 808651038 /nfs/dbraw/zinc/65/10/38/808651038.db2.gz WUOUSYQTEMKMLK-HPUBIQBYSA-N 1 1 292.423 3.124 20 30 CGEDMO CC[N@@H+](CC(=O)OC(C)(C)C)C1CCC(C)(C#N)CC1 ZINC001173599910 808651315 /nfs/dbraw/zinc/65/13/15/808651315.db2.gz SQHHWUHEXLKMST-UHFFFAOYSA-N 1 1 280.412 3.122 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)C=C1CCCCC1 ZINC001269204077 808654019 /nfs/dbraw/zinc/65/40/19/808654019.db2.gz AIBBHQMFIPIFAM-NVXWUHKLSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C)s2)C1 ZINC001269207938 808655998 /nfs/dbraw/zinc/65/59/98/808655998.db2.gz BDLKRTXTUGHJMZ-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC001269215218 808656273 /nfs/dbraw/zinc/65/62/73/808656273.db2.gz NUVOWMHRKLBOBT-KGLIPLIRSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C1CC=C(F)C=C1[NH2+][C@H]1CC[C@@H](CC(=O)OCC)C1 ZINC001173651018 808660264 /nfs/dbraw/zinc/66/02/64/808660264.db2.gz JXOWNSYFPSITOB-OCCSQVGLSA-N 1 1 279.355 3.395 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1CC[N@@H+]1CC/C=C\CC ZINC001269272594 808661926 /nfs/dbraw/zinc/66/19/26/808661926.db2.gz LWGKPHDPSRGZRC-LZNQSLFOSA-N 1 1 278.440 3.136 20 30 CGEDMO CC#CCCCC(=O)N(C)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001269268497 808662270 /nfs/dbraw/zinc/66/22/70/808662270.db2.gz MKQOSBJYLJAKRQ-MRXNPFEDSA-N 1 1 292.467 3.149 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@@H](C)Cc1ccc(C(=O)OC)cc1 ZINC001173728255 808668180 /nfs/dbraw/zinc/66/81/80/808668180.db2.gz QKQXNFQDGWFBEG-AWEZNQCLSA-N 1 1 288.391 3.030 20 30 CGEDMO C#CCCCC(=O)N(CC)[C@H]1CC[N@H+](CC(CC)CC)C1 ZINC001269324540 808669460 /nfs/dbraw/zinc/66/94/60/808669460.db2.gz MGASVVREAJZSDA-KRWDZBQOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@]1(C)CCC(C)=C(C)C1 ZINC001269351806 808672961 /nfs/dbraw/zinc/67/29/61/808672961.db2.gz RJEDMMYJGLEJSD-FUHWJXTLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)[C@]1(C)CCC(C)=C(C)C1 ZINC001269351806 808672965 /nfs/dbraw/zinc/67/29/65/808672965.db2.gz RJEDMMYJGLEJSD-FUHWJXTLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[C@]2(C1)CCC[N@H+](CCC)C2 ZINC001269691663 808697762 /nfs/dbraw/zinc/69/77/62/808697762.db2.gz FPOSIPVVTHPGFZ-SJLPKXTDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)/C=C(\C)C2CC2)CC1 ZINC001270212988 808721456 /nfs/dbraw/zinc/72/14/56/808721456.db2.gz ODFAUWTWFHSEAK-ZRDIBKRKSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)CC(C)(C)C=C)C1 ZINC001270589609 808737649 /nfs/dbraw/zinc/73/76/49/808737649.db2.gz JEJUDNKTVNVNAL-QGZVFWFLSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)C)C2 ZINC001271751297 808782547 /nfs/dbraw/zinc/78/25/47/808782547.db2.gz ZRBHOZGZRSFIKQ-MUJYYYPQSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@H]1CC=CCC1 ZINC001271962216 808790795 /nfs/dbraw/zinc/79/07/95/808790795.db2.gz INBNNXXOHYROAV-HOTGVXAUSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)CCC ZINC001272016119 808793460 /nfs/dbraw/zinc/79/34/60/808793460.db2.gz OBQAORRAGVREGF-VHDGCEQUSA-N 1 1 298.858 3.240 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)CCC ZINC001272016119 808793463 /nfs/dbraw/zinc/79/34/63/808793463.db2.gz OBQAORRAGVREGF-VHDGCEQUSA-N 1 1 298.858 3.240 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCC=C ZINC001272035416 808794019 /nfs/dbraw/zinc/79/40/19/808794019.db2.gz VXKRBVGIAYYKRW-SJORKVTESA-N 1 1 290.451 3.374 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)[C@H](C)[C@@H](C)C(C)(C)C ZINC001272131178 808799009 /nfs/dbraw/zinc/79/90/09/808799009.db2.gz BCSLVFIJOLGVSF-HUUCEWRRSA-N 1 1 282.472 3.271 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)C3(C)CCC3)CC[C@@H]21 ZINC001272215644 808800083 /nfs/dbraw/zinc/80/00/83/808800083.db2.gz ITOXSQKIGQXUNL-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@H+](CCC(C)(C)C)CC2)C1=O ZINC001272495158 808813037 /nfs/dbraw/zinc/81/30/37/808813037.db2.gz HVYAVWZSBMKSQJ-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C2(F)CCCC2)CC1 ZINC001273429088 808845532 /nfs/dbraw/zinc/84/55/32/808845532.db2.gz UGJSDIIZVKBOGC-OAHLLOKOSA-N 1 1 296.430 3.206 20 30 CGEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)C[C@@H](C)CC(C)C)CC1 ZINC001273466487 808846198 /nfs/dbraw/zinc/84/61/98/808846198.db2.gz PGHZVYWYKPCMFR-IRXDYDNUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC1(CC(=O)N(C)CCC[N@@H+](C)CCF)CCCCC1 ZINC001273571382 808855178 /nfs/dbraw/zinc/85/51/78/808855178.db2.gz FYHPWKJCTDWGSE-UHFFFAOYSA-N 1 1 298.446 3.263 20 30 CGEDMO C#CCCCCCC(=O)N[C@@H]1CC[N@H+](CCC)CC1(C)C ZINC001274445771 808876219 /nfs/dbraw/zinc/87/62/19/808876219.db2.gz JMLRDSWTUWXSRI-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)CCC1CCCC1 ZINC001275086872 808905921 /nfs/dbraw/zinc/90/59/21/808905921.db2.gz GSIHITTXMQCDDW-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CCC(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(C)cc1 ZINC001275565042 808949321 /nfs/dbraw/zinc/94/93/21/808949321.db2.gz ACLISPRQTKAYIX-MRXNPFEDSA-N 1 1 288.435 3.288 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H](C)C[N@H+](C)CC/C=C/CC ZINC001275615709 808951575 /nfs/dbraw/zinc/95/15/75/808951575.db2.gz SUCWTGADTYBXRP-BOLDSZDNSA-N 1 1 280.456 3.382 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)C[C@H](C)CC(C)(C)C ZINC001275657105 808955428 /nfs/dbraw/zinc/95/54/28/808955428.db2.gz ATWUBVBGRAMLEC-GJZGRUSLSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)c1cccs1 ZINC001275928190 808976584 /nfs/dbraw/zinc/97/65/84/808976584.db2.gz GVWKQJJOQRSCQI-KBPBESRZSA-N 1 1 294.464 3.254 20 30 CGEDMO C[N@H+]1CCC[C@]2(CCCN(Cc3ccccc3CC#N)C2)C1 ZINC001276242657 808995940 /nfs/dbraw/zinc/99/59/40/808995940.db2.gz QZDNQTQVRWHIMP-IBGZPJMESA-N 1 1 297.446 3.060 20 30 CGEDMO CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H](C)C(C)(C)C ZINC001276311296 809002078 /nfs/dbraw/zinc/00/20/78/809002078.db2.gz LZSPRLSGRHPMPJ-HOTGVXAUSA-N 1 1 292.467 3.053 20 30 CGEDMO N#Cc1cc(Nc2ccc(C[NH+]3CCOCC3)cc2)cs1 ZINC001174446037 809016877 /nfs/dbraw/zinc/01/68/77/809016877.db2.gz XILOYORPFWZZSP-UHFFFAOYSA-N 1 1 299.399 3.196 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H]1C[N@@H+](CC(C)C)CC1(C)C ZINC001276602387 809020253 /nfs/dbraw/zinc/02/02/53/809020253.db2.gz ZJEGQACBMKOYNB-CABCVRRESA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)CC(C)(C)C=C ZINC001276862889 809040665 /nfs/dbraw/zinc/04/06/65/809040665.db2.gz YVQULWNOXCLHQG-HUUCEWRRSA-N 1 1 278.440 3.134 20 30 CGEDMO N#Cc1cccc(N2CC[C@H]3[C@@H]2CC[N@H+]3C2CCCC2)c1 ZINC001276952871 809048872 /nfs/dbraw/zinc/04/88/72/809048872.db2.gz AZTHOQSTAMMRBK-ROUUACIJSA-N 1 1 281.403 3.154 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](C(N)=O)[C@@H]1c1ccccc1 ZINC001277150596 809058928 /nfs/dbraw/zinc/05/89/28/809058928.db2.gz BNMKGTQABOARGN-SJORKVTESA-N 1 1 286.419 3.281 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@]2(CCC[C@H]2C(=O)N(C)C)C1 ZINC001277153171 809060329 /nfs/dbraw/zinc/06/03/29/809060329.db2.gz XLWPSXWPPTWXBN-FUHWJXTLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@]2(CCN(C(=O)CCCC)C2)C1 ZINC001277502090 809076920 /nfs/dbraw/zinc/07/69/20/809076920.db2.gz IIFGPMPJXOQZDS-WMZOPIPTSA-N 1 1 292.467 3.456 20 30 CGEDMO CCCC[C@H](CC)C[N@H+]1CCC2(CN(CCC#N)C2)C1 ZINC001277936309 809107472 /nfs/dbraw/zinc/10/74/72/809107472.db2.gz FTFNIEFPANXJSR-INIZCTEOSA-N 1 1 277.456 3.124 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[C@H](C)CC)C2 ZINC001278336020 809126470 /nfs/dbraw/zinc/12/64/70/809126470.db2.gz OBMMDFRAAGGPAI-AEFFLSMTSA-N 1 1 292.467 3.313 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@](C)(NC(=O)c2ccc[nH]2)C1 ZINC001278356135 809127111 /nfs/dbraw/zinc/12/71/11/809127111.db2.gz GZKCWYIEIJPHKK-KRWDZBQOSA-N 1 1 291.439 3.179 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@](C)(NC(=O)CCCC)C1 ZINC001278364664 809128908 /nfs/dbraw/zinc/12/89/08/809128908.db2.gz XOCRFGJJYANIKO-HOCLYGCPSA-N 1 1 266.429 3.112 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)C2(CCF)CC2)C1 ZINC001278413376 809131377 /nfs/dbraw/zinc/13/13/77/809131377.db2.gz BYNAKAAPWYTAJU-ZBFHGGJFSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)c2cccs2)C1 ZINC001278427476 809132789 /nfs/dbraw/zinc/13/27/89/809132789.db2.gz UYAVADBZEPIDIO-CJNGLKHVSA-N 1 1 292.448 3.008 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@]12CCC[C@H]1[N@H+](C(C)C)CC2 ZINC001278458978 809135335 /nfs/dbraw/zinc/13/53/35/809135335.db2.gz HGXVUIKMTWAJBO-BFYDXBDKSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001278662663 809150952 /nfs/dbraw/zinc/15/09/52/809150952.db2.gz DPUHIBCTOZIVNY-MSOLQXFVSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C(=O)C1CC(C)C1)C(C)C ZINC001278899577 809154104 /nfs/dbraw/zinc/15/41/04/809154104.db2.gz KATHFDNIEDNNQN-UHFFFAOYSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)[C@H]1CCC[C@H](F)C1)C(C)C ZINC001278908856 809155049 /nfs/dbraw/zinc/15/50/49/809155049.db2.gz YWWXGFHMNBXURI-HOTGVXAUSA-N 1 1 298.446 3.260 20 30 CGEDMO CC1(C)CC[C@@H](CO)[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001174819287 809170546 /nfs/dbraw/zinc/17/05/46/809170546.db2.gz YDSUWOXMWHNITP-INIZCTEOSA-N 1 1 291.822 3.174 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)/C(C)=C/C)CC1 ZINC001279527225 809173120 /nfs/dbraw/zinc/17/31/20/809173120.db2.gz CCOLTSJSOFCVLU-HVJNQHDOSA-N 1 1 276.424 3.056 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H](C)CCCC)CC1 ZINC001279544137 809174787 /nfs/dbraw/zinc/17/47/87/809174787.db2.gz DWNLTYIUUTWYMU-OAHLLOKOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)C[C@H]2CC[C@@H](C)C2)CC1 ZINC001279613329 809176103 /nfs/dbraw/zinc/17/61/03/809176103.db2.gz BJOJJBLUFYINST-WBVHZDCISA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H]2CCCN(C(=O)CCC3CC3)[C@@H]2C1 ZINC001279606374 809176375 /nfs/dbraw/zinc/17/63/75/809176375.db2.gz VYBXXVITNPPBLI-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO N#Cc1ccc(Nc2ccc3c[nH+]ccc3c2)c(N)c1 ZINC001213355747 815269532 /nfs/dbraw/zinc/26/95/32/815269532.db2.gz TZUKMAXDHXTNNN-UHFFFAOYSA-N 1 1 260.300 3.432 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2cocc2C)CC1 ZINC001280743307 809195832 /nfs/dbraw/zinc/19/58/32/809195832.db2.gz HBHLYGFCZOIAEH-HNNXBMFYSA-N 1 1 290.407 3.139 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)/C=C/C(C)(C)C)CC1 ZINC001280712371 809195982 /nfs/dbraw/zinc/19/59/82/809195982.db2.gz XRUDOUBKSJIBOX-KGXGESDWSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)C2(CC=C)CCC2)C(C)(C)C1 ZINC001281554130 809215505 /nfs/dbraw/zinc/21/55/05/809215505.db2.gz WPFFSEIWPIQGIV-OAHLLOKOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)c1coc(C)c1 ZINC001281933638 809224959 /nfs/dbraw/zinc/22/49/59/809224959.db2.gz SVWXJESGYSCKBT-MRXNPFEDSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)C(C)=C1CCC1 ZINC001281932672 809225565 /nfs/dbraw/zinc/22/55/65/809225565.db2.gz OLUPKKSQWNIDFB-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@](C)(CC)CCC ZINC001281965901 809226596 /nfs/dbraw/zinc/22/65/96/809226596.db2.gz YKKJIZDZFZFUBR-SJLPKXTDSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCCC(=O)N[C@H]1C[N@H+](CCC(=C)C)CC1(C)C ZINC001282820034 809263759 /nfs/dbraw/zinc/26/37/59/809263759.db2.gz AODTXAXHMBJZMH-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC(=C)C)C[C@@H]2C1 ZINC001282947747 809266177 /nfs/dbraw/zinc/26/61/77/809266177.db2.gz LXAOWFJZLNSICR-GVDBMIGSSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCC(=C)C)C[C@@H]2C1 ZINC001282947744 809266271 /nfs/dbraw/zinc/26/62/71/809266271.db2.gz LXAOWFJZLNSICR-BBWFWOEESA-N 1 1 290.451 3.136 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@]12CCC[C@@H]1[N@@H+](CC(=C)C)CC2 ZINC001284066496 809294875 /nfs/dbraw/zinc/29/48/75/809294875.db2.gz HAIGBOHEPYZVHB-SOLBZPMBSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)CC)[C@@H]1C ZINC001284103359 809296268 /nfs/dbraw/zinc/29/62/68/809296268.db2.gz TYLUHCJLFJQKGY-LSDHHAIUSA-N 1 1 266.429 3.112 20 30 CGEDMO C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@H](C)C2CC2)CC1 ZINC001284677758 809314709 /nfs/dbraw/zinc/31/47/09/809314709.db2.gz MFWVDTWFPJJCKG-CHWSQXEVSA-N 1 1 298.858 3.002 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@](COC)(C(=O)OC(C)(C)C)C1 ZINC001175249361 809323979 /nfs/dbraw/zinc/32/39/79/809323979.db2.gz GYQQQCDATBFJJL-KRWDZBQOSA-N 1 1 297.439 3.023 20 30 CGEDMO N#Cc1ccc(Nc2cccc(C[NH+]3CCOCC3)c2)s1 ZINC001175858774 809559989 /nfs/dbraw/zinc/55/99/89/809559989.db2.gz SWBSXPATTPRPEU-UHFFFAOYSA-N 1 1 299.399 3.196 20 30 CGEDMO C=CCC[C@H]1CCC[N@H+]1Cc1cccc2c1OCCO2 ZINC001176767447 809758588 /nfs/dbraw/zinc/75/85/88/809758588.db2.gz JSLFBKRQMNRRBT-HNNXBMFYSA-N 1 1 273.376 3.388 20 30 CGEDMO C=CCCC[N@H+](CC)CC(=O)NCCC1CCCCC1 ZINC001176798594 809761644 /nfs/dbraw/zinc/76/16/44/809761644.db2.gz USUZNHZTDHVIDR-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1cc(C)c(C2OCCO2)cc1C ZINC001179772395 809944272 /nfs/dbraw/zinc/94/42/72/809944272.db2.gz ZBLYRJNLQYJRKX-HNNXBMFYSA-N 1 1 288.391 3.131 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1ncccc1F ZINC001180333030 809994829 /nfs/dbraw/zinc/99/48/29/809994829.db2.gz XPNPTNMLLBOZEN-UHFFFAOYSA-N 1 1 260.312 3.044 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1ncccc1F ZINC001180333030 809994831 /nfs/dbraw/zinc/99/48/31/809994831.db2.gz XPNPTNMLLBOZEN-UHFFFAOYSA-N 1 1 260.312 3.044 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@]1(C)CCCCO1 ZINC001181686024 810066158 /nfs/dbraw/zinc/06/61/58/810066158.db2.gz DJGSJSWRXUPIKN-QGZVFWFLSA-N 1 1 293.407 3.109 20 30 CGEDMO CCCCC[N@@H+](C)CCC(=O)Nc1ccsc1C#N ZINC001181859836 810076642 /nfs/dbraw/zinc/07/66/42/810076642.db2.gz SCWLUCXYJXVSNZ-UHFFFAOYSA-N 1 1 279.409 3.070 20 30 CGEDMO C=CC[C@@H](NC(=O)[C@@H]1CC[N@H+](C(C)C)C1)c1ccccc1 ZINC001181981442 810087313 /nfs/dbraw/zinc/08/73/13/810087313.db2.gz ZXYLQZSWMOPDGQ-IAGOWNOFSA-N 1 1 286.419 3.150 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2c(C)cc(OC)nc2C)C1 ZINC001182796301 810125174 /nfs/dbraw/zinc/12/51/74/810125174.db2.gz UDTWWAAQTRXTDB-HNNXBMFYSA-N 1 1 274.408 3.495 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CC3CC3)[C@@H]2C1 ZINC001186644054 810352905 /nfs/dbraw/zinc/35/29/05/810352905.db2.gz ALIZREASBBZHLF-DLBZAZTESA-N 1 1 292.467 3.290 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)CC3CCCC3)[C@@H]2C1 ZINC001186685329 810356442 /nfs/dbraw/zinc/35/64/42/810356442.db2.gz JDLRFTKPTSQZTG-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)C(C)C)[C@@H]2C1 ZINC001186866791 810367737 /nfs/dbraw/zinc/36/77/37/810367737.db2.gz QYPSAHLTVSTIHQ-JKSUJKDBSA-N 1 1 280.456 3.146 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)CCCCC)[C@@H]2C1 ZINC001186878495 810368121 /nfs/dbraw/zinc/36/81/21/810368121.db2.gz BLPSGVOAILGJHH-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO CCc1[nH+]ccn1CCNc1ncc(C#N)c2ccsc21 ZINC001187615644 810410185 /nfs/dbraw/zinc/41/01/85/810410185.db2.gz OJRHVVCBPUUNRX-UHFFFAOYSA-N 1 1 297.387 3.039 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccccc1CC ZINC001187660142 810413814 /nfs/dbraw/zinc/41/38/14/810413814.db2.gz JVYWDQIHWNJISH-HNNXBMFYSA-N 1 1 287.407 3.021 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC[C@H]2C[N@@H+](CCC(=C)C)C[C@H]21 ZINC001188909135 810522765 /nfs/dbraw/zinc/52/27/65/810522765.db2.gz OEHJYIILHWRZNN-YESZJQIVSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCCC(=O)N1CC[C@@H]([N@H+](C)CC/C=C/CCC)C1 ZINC001189281171 810553944 /nfs/dbraw/zinc/55/39/44/810553944.db2.gz YYVAJYKSKGOCLE-ROJDOSBLSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)CC(C)(C)C)[C@@H]2C1 ZINC001189323980 810558618 /nfs/dbraw/zinc/55/86/18/810558618.db2.gz CVDCBDNQOWDCED-HRCADAONSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)CCC2CCC2)C1 ZINC001189575126 810579806 /nfs/dbraw/zinc/57/98/06/810579806.db2.gz QRPGGIRUQROYMX-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)/C(C)=C/C)C1 ZINC001189582479 810580268 /nfs/dbraw/zinc/58/02/68/810580268.db2.gz HNSMRCHJRFXYHX-KNDGBBJPSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C2=CCCCCC2)C1 ZINC001189818596 810590592 /nfs/dbraw/zinc/59/05/92/810590592.db2.gz NHAUGPPFVMRZNB-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@H]([N@@H+](C)CCCCCF)C1 ZINC001190398306 810624830 /nfs/dbraw/zinc/62/48/30/810624830.db2.gz VHBIQVXVMLFRJJ-HNNXBMFYSA-N 1 1 298.446 3.261 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@@H]([N@H+](C)C[C@@H](C)CC)C1 ZINC001190388233 810625716 /nfs/dbraw/zinc/62/57/16/810625716.db2.gz LYCLJXUSUAOXSO-LSDHHAIUSA-N 1 1 280.456 3.168 20 30 CGEDMO CC(C)C[N@@H+](CC[C@@H](O)C(C)C)Cc1ccc(C#N)cc1 ZINC001190615561 810637846 /nfs/dbraw/zinc/63/78/46/810637846.db2.gz DSWWXLJBAIMHPZ-GOSISDBHSA-N 1 1 288.435 3.423 20 30 CGEDMO COCC[N@@H+](Cc1cc(C#N)ccn1)[C@@H](C)c1ccccc1 ZINC001190635800 810640569 /nfs/dbraw/zinc/64/05/69/810640569.db2.gz QGEVXUVRASTUJX-HNNXBMFYSA-N 1 1 295.386 3.163 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@](C)(F)CCCC)C1 ZINC001191039939 810665849 /nfs/dbraw/zinc/66/58/49/810665849.db2.gz HIFOEGKGERJOOG-WBVHZDCISA-N 1 1 298.446 3.404 20 30 CGEDMO C#CC[N@@H+](CC#CC)Cc1ccccc1CC(C)C ZINC001191246462 810692898 /nfs/dbraw/zinc/69/28/98/810692898.db2.gz WWUIJAKVRTXNOP-UHFFFAOYSA-N 1 1 253.389 3.344 20 30 CGEDMO C#CC[N@H+](CC#CC)Cc1ccccc1CC(C)C ZINC001191246462 810692902 /nfs/dbraw/zinc/69/29/02/810692902.db2.gz WWUIJAKVRTXNOP-UHFFFAOYSA-N 1 1 253.389 3.344 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@@H]([N@H+](C)CC/C=C/CCC)C1 ZINC001191719128 810732931 /nfs/dbraw/zinc/73/29/31/810732931.db2.gz IGMMSGSLHILXDB-ZNFPLGDCSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[C@@H]([N@H+](C)CC/C=C/CC)C1 ZINC001191891022 810754358 /nfs/dbraw/zinc/75/43/58/810754358.db2.gz WBQYOKGEMVNZGQ-PIIXRYACSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCCCC(=O)N1CC[C@@H]([N@H+](C)[C@H](C)CCC=C)C1 ZINC001192093211 810768185 /nfs/dbraw/zinc/76/81/85/810768185.db2.gz HUYCOXGKUSXMFM-HZPDHXFCSA-N 1 1 278.440 3.230 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]([N@@H+](C)CC2CCCCC2)C1 ZINC001192095088 810769966 /nfs/dbraw/zinc/76/99/66/810769966.db2.gz ZKLVRLQSAIRVMK-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[C@H]([N@@H+](C)CCC(C)C)C1 ZINC001192160285 810772439 /nfs/dbraw/zinc/77/24/39/810772439.db2.gz CTGRGHWIMBDVCT-DOTOQJQBSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC1(C(=O)N2CC[C@@H]([N@H+](C)C[C@@H](C)CC)C2)CC1 ZINC001192207399 810775595 /nfs/dbraw/zinc/77/55/95/810775595.db2.gz WYZSMMKWGZCOIX-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CCOCC[N@H+](CCc1ccc(F)cc1)C1CCCC1 ZINC001192224477 810777164 /nfs/dbraw/zinc/77/71/64/810777164.db2.gz LKXBMTQKYQVQBS-UHFFFAOYSA-N 1 1 289.394 3.263 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)CCCCCF)C1 ZINC001192586957 810809319 /nfs/dbraw/zinc/80/93/19/810809319.db2.gz YEFUQBZRZHTTKY-OAHLLOKOSA-N 1 1 298.446 3.261 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)c2csc(Cl)c2)C1 ZINC001192688625 810816847 /nfs/dbraw/zinc/81/68/47/810816847.db2.gz WTYBOMWKPVMFIB-GFCCVEGCSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)c2csc(C)c2)C1 ZINC001192845410 810824536 /nfs/dbraw/zinc/82/45/36/810824536.db2.gz HRKNCMHGSANKLM-OAHLLOKOSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)CCC)C1 ZINC001193121951 810859454 /nfs/dbraw/zinc/85/94/54/810859454.db2.gz IBYFYRHBNRWAAJ-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CCC2(C)CC2)C1 ZINC001193259068 810867602 /nfs/dbraw/zinc/86/76/02/810867602.db2.gz ZHTBQDBIFDZHMU-JKSUJKDBSA-N 1 1 292.467 3.454 20 30 CGEDMO CC[C@@H]1CCCC[C@H]1[N@@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC001193459469 810890750 /nfs/dbraw/zinc/89/07/50/810890750.db2.gz DAKJTTCCUZORTA-BZUAXINKSA-N 1 1 278.440 3.332 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](F)CCCCCC)C1 ZINC001193479259 810894488 /nfs/dbraw/zinc/89/44/88/810894488.db2.gz UHLRVVKSKAMDNA-GJZGRUSLSA-N 1 1 284.419 3.014 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-])c1ccsc1 ZINC001193796579 810958750 /nfs/dbraw/zinc/95/87/50/810958750.db2.gz HJMMITQNCHWHBQ-JTQLQIEISA-N 1 1 287.344 3.379 20 30 CGEDMO CCCCCCCCOC(=O)N[C@H]1CC[N@@H+](C)C[C@H]1C ZINC001194753963 811124136 /nfs/dbraw/zinc/12/41/36/811124136.db2.gz XNTPZCCAIJFHFA-CABCVRRESA-N 1 1 284.444 3.413 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)c2ccoc2C)CC1 ZINC001194761699 811127178 /nfs/dbraw/zinc/12/71/78/811127178.db2.gz LIPBVVBCFIIRKM-AWEZNQCLSA-N 1 1 290.407 3.091 20 30 CGEDMO CCCCCCCCCOC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC001194919789 811170547 /nfs/dbraw/zinc/17/05/47/811170547.db2.gz JMIFGPWEJYPGME-HNNXBMFYSA-N 1 1 284.444 3.415 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](C)[C@@H]1C(=O)OC(C)(C)C ZINC001195350326 811246609 /nfs/dbraw/zinc/24/66/09/811246609.db2.gz UKUZRDXEJBKMLC-UONOGXRCSA-N 1 1 267.413 3.395 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC001195569438 811267137 /nfs/dbraw/zinc/26/71/37/811267137.db2.gz ZONGHNTUBFKKTC-LLVKDONJSA-N 1 1 251.732 3.324 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC001195569438 811267141 /nfs/dbraw/zinc/26/71/41/811267141.db2.gz ZONGHNTUBFKKTC-LLVKDONJSA-N 1 1 251.732 3.324 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)c2coc(C)c2)CC1 ZINC001195604864 811269877 /nfs/dbraw/zinc/26/98/77/811269877.db2.gz KYZDATRMGRYVAC-CQSZACIVSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)C[C@H]2CCC[C@H]2C)CC1 ZINC001195915267 811302700 /nfs/dbraw/zinc/30/27/00/811302700.db2.gz NZTKFMFPLFNEGP-IAGOWNOFSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](C[C@H]2COC3(CCCCC3)O2)C1 ZINC001195953601 811305070 /nfs/dbraw/zinc/30/50/70/811305070.db2.gz BBCFRFXSVIKUKG-CVEARBPZSA-N 1 1 279.424 3.350 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[N@H+](CCC(=C)C)CC1 ZINC001195990036 811307356 /nfs/dbraw/zinc/30/73/56/811307356.db2.gz JQKWZPOORGGEQN-UHFFFAOYSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[N@H+](CCCCC)CC1 ZINC001195982579 811307869 /nfs/dbraw/zinc/30/78/69/811307869.db2.gz XXOPXCKSVTZMLP-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)CCCC[C@@H](C)CC)CC1 ZINC001195981570 811308301 /nfs/dbraw/zinc/30/83/01/811308301.db2.gz AKRIFPVJABJWFP-INIZCTEOSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)CC(C)(C)C=C)CC1 ZINC001195990156 811309057 /nfs/dbraw/zinc/30/90/57/811309057.db2.gz LBRLBBYOTREZOW-INIZCTEOSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C(C)(C)C(=C)C)CC1 ZINC001196724923 811358781 /nfs/dbraw/zinc/35/87/81/811358781.db2.gz SNDGBXJUTIEFAC-MRXNPFEDSA-N 1 1 292.467 3.478 20 30 CGEDMO CCCCCCC[N@H+]1CCCN(C(=O)[C@@H](F)CC)CC1 ZINC001196774626 811365676 /nfs/dbraw/zinc/36/56/76/811365676.db2.gz IDKQGIUGAJFNHO-HNNXBMFYSA-N 1 1 286.435 3.239 20 30 CGEDMO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@H+](CC(CC)CC)CC1 ZINC001196828681 811371352 /nfs/dbraw/zinc/37/13/52/811371352.db2.gz ANPSSQVMUKYNPG-CVEARBPZSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1CCC[N@H+](C[C@H](C)CC)CC1 ZINC001196881138 811376886 /nfs/dbraw/zinc/37/68/86/811376886.db2.gz QBGVCQITEUIBCV-HZPDHXFCSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C[C@H](C=C)CC)CC1 ZINC001196890801 811379771 /nfs/dbraw/zinc/37/97/71/811379771.db2.gz XBVORCGSDDDEAK-IAGOWNOFSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@H](C)C2)CC1 ZINC001196943556 811385797 /nfs/dbraw/zinc/38/57/97/811385797.db2.gz QSJYCVFQUFGMBH-IRXDYDNUSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCCCC[N@H+]1CCOC[C@H]1C[C@H]1CCCO1 ZINC001198242069 811486226 /nfs/dbraw/zinc/48/62/26/811486226.db2.gz QGVFHBZINXUBNW-HZPDHXFCSA-N 1 1 267.413 3.003 20 30 CGEDMO CC[C@H](C)C[N@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001201516420 811877750 /nfs/dbraw/zinc/87/77/50/811877750.db2.gz XZUASSKDNDHQKS-YOEHRIQHSA-N 1 1 272.392 3.448 20 30 CGEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](C[C@H](C)CCC)C2 ZINC001201549836 811896626 /nfs/dbraw/zinc/89/66/26/811896626.db2.gz DJIGNMLKGLYFMH-IXDOHACOSA-N 1 1 281.440 3.249 20 30 CGEDMO CCCC[N@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001201714786 811945004 /nfs/dbraw/zinc/94/50/04/811945004.db2.gz BHCIPDDVRMUOIC-OAHLLOKOSA-N 1 1 258.365 3.202 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)OC(C)(C)C ZINC001201762846 811963442 /nfs/dbraw/zinc/96/34/42/811963442.db2.gz XQDTWWDGYRUVIM-FICVDOATSA-N 1 1 296.455 3.412 20 30 CGEDMO CCCCCCC[N@@H+](C(C)C)[C@H]1CCN(C(C)=O)C1 ZINC001201797679 811965157 /nfs/dbraw/zinc/96/51/57/811965157.db2.gz COIXRHNTIXSHNR-INIZCTEOSA-N 1 1 268.445 3.288 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@H]1CCC2(C1)OCCO2 ZINC001201798123 811966073 /nfs/dbraw/zinc/96/60/73/811966073.db2.gz PFDKFOOQAXQCNZ-AWEZNQCLSA-N 1 1 255.402 3.184 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H](CC(=O)OC)C1 ZINC001201797696 811966194 /nfs/dbraw/zinc/96/61/94/811966194.db2.gz DCIVOJOKCUQWFK-AWEZNQCLSA-N 1 1 255.402 3.232 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C ZINC001201846308 811970922 /nfs/dbraw/zinc/97/09/22/811970922.db2.gz HNOALADAWIFHJA-HZPDHXFCSA-N 1 1 280.456 3.432 20 30 CGEDMO C=CCOC[C@@]12CCCO[C@H]1CC[N@@H+](CC1CCCC1)C2 ZINC001202159998 812027599 /nfs/dbraw/zinc/02/75/99/812027599.db2.gz GBWRYEVCTXCYGJ-ROUUACIJSA-N 1 1 293.451 3.250 20 30 CGEDMO COc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)c(C)c1C ZINC001203726497 812443817 /nfs/dbraw/zinc/44/38/17/812443817.db2.gz FFLKMDSTNQQNBD-MRXNPFEDSA-N 1 1 258.365 3.048 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)c(C)c1C ZINC001203726497 812443819 /nfs/dbraw/zinc/44/38/19/812443819.db2.gz FFLKMDSTNQQNBD-MRXNPFEDSA-N 1 1 258.365 3.048 20 30 CGEDMO COc1cccc(CC[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC001203905294 812487735 /nfs/dbraw/zinc/48/77/35/812487735.db2.gz GTESSIYYKOTVQD-UHFFFAOYSA-N 1 1 280.371 3.241 20 30 CGEDMO CCc1cccc2cc(C[NH2+]CC3(C#N)CCOCC3)oc21 ZINC001204029410 812525360 /nfs/dbraw/zinc/52/53/60/812525360.db2.gz YHYBKDWSJPVTJT-UHFFFAOYSA-N 1 1 298.386 3.405 20 30 CGEDMO Cc1[nH]c2ccccc2c1C[N@H+]1CC[C@](C)(C#N)C1 ZINC001204293163 812603497 /nfs/dbraw/zinc/60/34/97/812603497.db2.gz VKWFACMHZRCACD-MRXNPFEDSA-N 1 1 253.349 3.212 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@]3(CCO3)C2)cc1 ZINC001204303132 812605024 /nfs/dbraw/zinc/60/50/24/812605024.db2.gz ASULBIPDQHLPIJ-QGZVFWFLSA-N 1 1 273.376 3.006 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)cc1 ZINC001204304336 812606466 /nfs/dbraw/zinc/60/64/66/812606466.db2.gz DZNPRBWLIFUVIL-DOTOQJQBSA-N 1 1 285.387 3.052 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCC(=O)C(C)(C)C2)cc1 ZINC001204303916 812606517 /nfs/dbraw/zinc/60/65/17/812606517.db2.gz SPCGEJXWFCLIBG-UHFFFAOYSA-N 1 1 273.376 3.052 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC(=O)C(C)(C)C2)cc1 ZINC001204303916 812606524 /nfs/dbraw/zinc/60/65/24/812606524.db2.gz SPCGEJXWFCLIBG-UHFFFAOYSA-N 1 1 273.376 3.052 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204328867 812613857 /nfs/dbraw/zinc/61/38/57/812613857.db2.gz REOLAZJVOQXKMU-KRWDZBQOSA-N 1 1 269.392 3.022 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204328867 812613861 /nfs/dbraw/zinc/61/38/61/812613861.db2.gz REOLAZJVOQXKMU-KRWDZBQOSA-N 1 1 269.392 3.022 20 30 CGEDMO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2csc(C#N)c2)C1(C)C ZINC001204359818 812620805 /nfs/dbraw/zinc/62/08/05/812620805.db2.gz RJIZUIPUZXPCHH-UKRRQHHQSA-N 1 1 278.421 3.255 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@@](C)(OC)C1CC1 ZINC001204496392 812655499 /nfs/dbraw/zinc/65/54/99/812655499.db2.gz GHYSANYODNZYGX-QGZVFWFLSA-N 1 1 275.367 3.076 20 30 CGEDMO N#Cc1cc(C[NH+]2CC3(C2)CCCCC3)ccc1F ZINC001205496613 812991888 /nfs/dbraw/zinc/99/18/88/812991888.db2.gz HPSVYIZAGPDCDU-UHFFFAOYSA-N 1 1 258.340 3.463 20 30 CGEDMO N#CCCO[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001205622533 813030276 /nfs/dbraw/zinc/03/02/76/813030276.db2.gz VTZKZHCRLYNIHR-BJWYYQGGSA-N 1 1 270.376 3.112 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1OCCCC#N ZINC001205648911 813040186 /nfs/dbraw/zinc/04/01/86/813040186.db2.gz QAGCXOZPJSESOH-NVXWUHKLSA-N 1 1 272.392 3.217 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)Cc1ccnc(F)c1C ZINC001205740959 813065174 /nfs/dbraw/zinc/06/51/74/813065174.db2.gz NIVBYNHWVMSBHI-UHFFFAOYSA-N 1 1 268.335 3.165 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccnc(F)c1C ZINC001205740959 813065179 /nfs/dbraw/zinc/06/51/79/813065179.db2.gz NIVBYNHWVMSBHI-UHFFFAOYSA-N 1 1 268.335 3.165 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CC)C1 ZINC001206083798 813195104 /nfs/dbraw/zinc/19/51/04/813195104.db2.gz ZFMFGOMSKYJMLB-ARFHVFGLSA-N 1 1 280.456 3.215 20 30 CGEDMO Cc1ccc(CC[NH+]2CC(Oc3ccc(C#N)cc3)C2)cc1 ZINC001206186943 813231897 /nfs/dbraw/zinc/23/18/97/813231897.db2.gz OLPFVZIRLULRHR-UHFFFAOYSA-N 1 1 292.382 3.172 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[N@@H+](CC/C=C/CCC)C[C@H]1C ZINC001206537210 813343270 /nfs/dbraw/zinc/34/32/70/813343270.db2.gz LWUOQDDXHQAATA-GUFYHEMZSA-N 1 1 278.440 3.136 20 30 CGEDMO CC[C@H]1C[N@@H+](Cc2ccc(C#N)c(C)c2)[C@@H](CC)CO1 ZINC001206569489 813356045 /nfs/dbraw/zinc/35/60/45/813356045.db2.gz WCTDPCMXORUNIH-IRXDYDNUSA-N 1 1 272.392 3.256 20 30 CGEDMO CCc1cc(CN2CCCC[C@](C)(C[NH3+])C2)ccc1C#N ZINC001206574237 813360117 /nfs/dbraw/zinc/36/01/17/813360117.db2.gz RLAKSTDBTGKAAZ-GOSISDBHSA-N 1 1 285.435 3.072 20 30 CGEDMO N#Cc1cc(Nc2cc[nH+]c(-c3ccccc3)c2)ccn1 ZINC001206594109 813367522 /nfs/dbraw/zinc/36/75/22/813367522.db2.gz JKSCJHZCACJQCV-UHFFFAOYSA-N 1 1 272.311 3.181 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1Nc1cc(Cl)cnc1C#N ZINC001206736113 813412389 /nfs/dbraw/zinc/41/23/89/813412389.db2.gz CZPSUVWRWMXQFH-UHFFFAOYSA-N 1 1 287.754 3.120 20 30 CGEDMO C#CCCCCC(=O)N[C@@H]1C[N@@H+](CCCCCC)C[C@H]1C ZINC001206887014 813457305 /nfs/dbraw/zinc/45/73/05/813457305.db2.gz RLZHDPNBILQUJZ-IAGOWNOFSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCN(CC[N@H+](C)CCCC)C(=O)OC(C)(C)C ZINC001207198438 813515371 /nfs/dbraw/zinc/51/53/71/813515371.db2.gz DALPZVWSVFOBTL-UHFFFAOYSA-N 1 1 270.417 3.141 20 30 CGEDMO C=CCN(CC[N@@H+]1CC[C@@H](CC)C1)C(=O)OC(C)(C)C ZINC001207204767 813515471 /nfs/dbraw/zinc/51/54/71/813515471.db2.gz XKBIEYSSWMKKAC-CQSZACIVSA-N 1 1 282.428 3.141 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[NH+]1CC(Oc2ccccc2)C1 ZINC001207864783 813663613 /nfs/dbraw/zinc/66/36/13/813663613.db2.gz FDBZCFQMIIEKCF-UHFFFAOYSA-N 1 1 292.382 3.438 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@@H](C)[C@H]2CO)CC1 ZINC001208171745 813725905 /nfs/dbraw/zinc/72/59/05/813725905.db2.gz YRNQBXJIATXRFV-DJIMGWMZSA-N 1 1 263.425 3.382 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CCCC(C)C)C[C@H]2C)C1 ZINC001208544823 813766792 /nfs/dbraw/zinc/76/67/92/813766792.db2.gz WELITRUTVWCTIV-HZPDHXFCSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](CCC1CCCC1)C2 ZINC001208694876 813800424 /nfs/dbraw/zinc/80/04/24/813800424.db2.gz CVAYBBFREHKUOK-QZTJIDSGSA-N 1 1 293.451 3.393 20 30 CGEDMO COC[C@@]12CCC[C@@H]1C[N@@H+](CCCc1ccc(C#N)cc1)C2 ZINC001208859823 813872196 /nfs/dbraw/zinc/87/21/96/813872196.db2.gz UTDGLQHJTHSZLR-MOPGFXCFSA-N 1 1 298.430 3.239 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC23CC3)C1 ZINC001208886690 813882687 /nfs/dbraw/zinc/88/26/87/813882687.db2.gz CUWPDYVYZGTQCK-BZUAXINKSA-N 1 1 292.467 3.193 20 30 CGEDMO N#Cc1ccc(CC[N@@H+]2CC[C@@H](F)C(F)(F)CC2)cc1 ZINC001208920855 813901021 /nfs/dbraw/zinc/90/10/21/813901021.db2.gz RZASCLLPLYWQJN-CQSZACIVSA-N 1 1 282.309 3.170 20 30 CGEDMO C=CCN(CC=C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208948577 813907896 /nfs/dbraw/zinc/90/78/96/813907896.db2.gz HAAVHFAWNNZTKE-GOSISDBHSA-N 1 1 270.420 3.183 20 30 CGEDMO C=CC[NH+](CC=C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC001208948577 813907917 /nfs/dbraw/zinc/90/79/17/813907917.db2.gz HAAVHFAWNNZTKE-GOSISDBHSA-N 1 1 270.420 3.183 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@]2(CCN2C(=O)OC(C)(C)C)C1 ZINC001209156573 813950730 /nfs/dbraw/zinc/95/07/30/813950730.db2.gz CZHHBPROBKFEQS-QGZVFWFLSA-N 1 1 294.439 3.428 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2c1ccccc1 ZINC001209160966 813951797 /nfs/dbraw/zinc/95/17/97/813951797.db2.gz FIBBCJOPKIUBRM-IAGOWNOFSA-N 1 1 284.403 3.223 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC001209158958 813952148 /nfs/dbraw/zinc/95/21/48/813952148.db2.gz XKMLFHLBASPLQY-UONOGXRCSA-N 1 1 280.412 3.036 20 30 CGEDMO C=CCCC[N@@H+](Cc1cccnc1)Cc1ccccn1 ZINC001209162044 813953453 /nfs/dbraw/zinc/95/34/53/813953453.db2.gz QLLRYFRZXADIHG-UHFFFAOYSA-N 1 1 267.376 3.445 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)OC(C)(C)C)C[C@H](C)C1 ZINC001209162994 813953603 /nfs/dbraw/zinc/95/36/03/813953603.db2.gz SCOZCVPPUDPZSV-UONOGXRCSA-N 1 1 282.428 3.188 20 30 CGEDMO C=CCCC[N@@H+](CCC(=O)OCC)[C@@H](CCC)COC ZINC001209164287 813955408 /nfs/dbraw/zinc/95/54/08/813955408.db2.gz WOOWNEHEYZHYOF-HNNXBMFYSA-N 1 1 285.428 3.023 20 30 CGEDMO C=CCCCC[N@@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001209199874 813962395 /nfs/dbraw/zinc/96/23/95/813962395.db2.gz COPNMPNSJWUYLN-GJZGRUSLSA-N 1 1 294.439 3.284 20 30 CGEDMO C=CCCCC[N@H+]1CCc2ncnc(OC(C)C)c2CC1 ZINC001209200096 813965500 /nfs/dbraw/zinc/96/55/00/813965500.db2.gz GMKCKJSYDBOQKA-UHFFFAOYSA-N 1 1 289.423 3.021 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@H](Oc2ccncc2)C1 ZINC001209207877 813968227 /nfs/dbraw/zinc/96/82/27/813968227.db2.gz GGISAPSZAREKIN-INIZCTEOSA-N 1 1 260.381 3.281 20 30 CGEDMO C#CCCC[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)CC[C@@H]1C ZINC001209262621 813987095 /nfs/dbraw/zinc/98/70/95/813987095.db2.gz XHZQINMROVUPPI-GJZGRUSLSA-N 1 1 294.439 3.025 20 30 CGEDMO C#CCCC[N@H+]1C[C@H]2CCC[C@@]2(COCc2ccncc2)C1 ZINC001209267379 813990142 /nfs/dbraw/zinc/99/01/42/813990142.db2.gz OSHZDYAVLUSWPH-MOPGFXCFSA-N 1 1 298.430 3.114 20 30 CGEDMO C[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001209422242 814025182 /nfs/dbraw/zinc/02/51/82/814025182.db2.gz UNOYDIPYIDXEGL-UKPHBRMFSA-N 1 1 270.376 3.057 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001209427050 814027866 /nfs/dbraw/zinc/02/78/66/814027866.db2.gz DYMRHVDVKFUICK-QZTJIDSGSA-N 1 1 293.451 3.393 20 30 CGEDMO C[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001209429210 814030021 /nfs/dbraw/zinc/03/00/21/814030021.db2.gz VSSXLDBTASFMIO-UKPHBRMFSA-N 1 1 270.376 3.057 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001209428871 814030821 /nfs/dbraw/zinc/03/08/21/814030821.db2.gz OJULTYWLRAWAAX-SRVKXCTJSA-N 1 1 263.303 3.137 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001209428871 814030824 /nfs/dbraw/zinc/03/08/24/814030824.db2.gz OJULTYWLRAWAAX-SRVKXCTJSA-N 1 1 263.303 3.137 20 30 CGEDMO C=CCCCCCC[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC001209431846 814031240 /nfs/dbraw/zinc/03/12/40/814031240.db2.gz UZBUKXKLGVNSCR-GFCCVEGCSA-N 1 1 265.319 3.122 20 30 CGEDMO C=CCCCCC[N@H+]1CCc2cnc(C3CC3)nc2C1 ZINC001209433365 814034853 /nfs/dbraw/zinc/03/48/53/814034853.db2.gz UPPROFYGESVJOF-UHFFFAOYSA-N 1 1 271.408 3.459 20 30 CGEDMO C=CCCCCCC[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2C)C1 ZINC001209438600 814038415 /nfs/dbraw/zinc/03/84/15/814038415.db2.gz PAIAWPKJBVTNPS-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CC[C@@H](C(=O)OC)C1 ZINC001209438258 814039304 /nfs/dbraw/zinc/03/93/04/814039304.db2.gz IBXANNPAGRBUIN-CQSZACIVSA-N 1 1 253.386 3.008 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001209441309 814041871 /nfs/dbraw/zinc/04/18/71/814041871.db2.gz HETSOUGMMQSXSA-HNNXBMFYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCCCCCCC[N@H+]1CC[C@H](Oc2ncccn2)C1 ZINC001209442892 814042685 /nfs/dbraw/zinc/04/26/85/814042685.db2.gz ZJUNUTBZBSHRBK-INIZCTEOSA-N 1 1 289.423 3.456 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CC[C@@H](C(=O)OC)C1 ZINC001209443489 814043073 /nfs/dbraw/zinc/04/30/73/814043073.db2.gz TYPVTGLLXFCMEK-OAHLLOKOSA-N 1 1 267.413 3.398 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CCO[C@@H]2C[C@H](CO)C[C@H]21 ZINC001209443533 814043617 /nfs/dbraw/zinc/04/36/17/814043617.db2.gz UWIDSXIMESPCEE-KZNAEPCWSA-N 1 1 295.467 3.375 20 30 CGEDMO C=CCCCCCCC[N@H+]1CC[C@@H](Oc2ncccn2)C1 ZINC001209442893 814043652 /nfs/dbraw/zinc/04/36/52/814043652.db2.gz ZJUNUTBZBSHRBK-MRXNPFEDSA-N 1 1 289.423 3.456 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CC[C@@](C)(C(=O)OC)C1 ZINC001209442182 814043860 /nfs/dbraw/zinc/04/38/60/814043860.db2.gz BGPJPZZFTHHYMT-MRXNPFEDSA-N 1 1 267.413 3.398 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CC[C@H](NC(C)=O)C1 ZINC001209445986 814045690 /nfs/dbraw/zinc/04/56/90/814045690.db2.gz OMPSEQFVZPXSCW-INIZCTEOSA-N 1 1 266.429 3.114 20 30 CGEDMO Cc1cccc2c(C[N@H+]3CC[C@@H]4SC(=O)C=C4C3)c[nH]c21 ZINC001209481809 814055062 /nfs/dbraw/zinc/05/50/62/814055062.db2.gz BVMUNYMEDQIJMP-HNNXBMFYSA-N 1 1 298.411 3.250 20 30 CGEDMO Cc1cccc2c(C[N@@H+]3CCC4SC(=O)C=C4C3)c[nH]c21 ZINC001209481809 814055064 /nfs/dbraw/zinc/05/50/64/814055064.db2.gz BVMUNYMEDQIJMP-HNNXBMFYSA-N 1 1 298.411 3.250 20 30 CGEDMO Cc1cccc2c(C[N@H+]3CCC4SC(=O)C=C4C3)c[nH]c21 ZINC001209481809 814055068 /nfs/dbraw/zinc/05/50/68/814055068.db2.gz BVMUNYMEDQIJMP-HNNXBMFYSA-N 1 1 298.411 3.250 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2cc[nH]c2c1 ZINC001209515283 814069146 /nfs/dbraw/zinc/06/91/46/814069146.db2.gz RZAAVFYYRVWPFA-MKZZRHPPSA-N 1 1 265.360 3.434 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2c[nH]c3cc(F)ccc23)C1 ZINC001209694195 814113122 /nfs/dbraw/zinc/11/31/22/814113122.db2.gz KAUXKFPRTZTXGK-GFCCVEGCSA-N 1 1 256.324 3.152 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2c[nH]c3cc(F)ccc23)CC1 ZINC001209691677 814113644 /nfs/dbraw/zinc/11/36/44/814113644.db2.gz HTRWAAHELOWQMA-GFCCVEGCSA-N 1 1 271.339 3.433 20 30 CGEDMO C=CC[NH+](CC=C)Cc1[nH]nc2ccc(Cl)cc21 ZINC001209754920 814131877 /nfs/dbraw/zinc/13/18/77/814131877.db2.gz FRRSYLNKKDGOPB-UHFFFAOYSA-N 1 1 261.756 3.390 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2[nH]nc3ccc(Cl)cc32)C1 ZINC001209760030 814132609 /nfs/dbraw/zinc/13/26/09/814132609.db2.gz RYXMZVMPVNHYGO-LLVKDONJSA-N 1 1 273.767 3.062 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2[nH]nc3ccc(Cl)cc32)C1 ZINC001209760030 814132614 /nfs/dbraw/zinc/13/26/14/814132614.db2.gz RYXMZVMPVNHYGO-LLVKDONJSA-N 1 1 273.767 3.062 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)CC(C)C)C1 ZINC001210159092 814316167 /nfs/dbraw/zinc/31/61/67/814316167.db2.gz MPZDGCGACHCTNK-HUUCEWRRSA-N 1 1 280.456 3.071 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](F)CCCCCC)C1 ZINC001210284769 814379335 /nfs/dbraw/zinc/37/93/35/814379335.db2.gz SLKFEMQMVLWSHD-BZUAXINKSA-N 1 1 298.446 3.308 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)C(C)(C)C)C1 ZINC001210620848 814559907 /nfs/dbraw/zinc/55/99/07/814559907.db2.gz YJTKDRCJKSSKJN-QLFBSQMISA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CCC=CCC2)C1 ZINC001211073683 814732287 /nfs/dbraw/zinc/73/22/87/814732287.db2.gz KWIZSIIBHOQUFO-NVXWUHKLSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)CCCCC)C1 ZINC001211211906 814850516 /nfs/dbraw/zinc/85/05/16/814850516.db2.gz LFXPMLDMGSWRII-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO Cn1c[nH+]c2cccc(Nc3cc(C#N)cc([N+](=O)[O-])c3)c21 ZINC001211334074 814881151 /nfs/dbraw/zinc/88/11/51/814881151.db2.gz KZXKQMPFJRZKPK-UHFFFAOYSA-N 1 1 293.286 3.097 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C/C=C\c2ccc(C)cc2)C1 ZINC001211512738 814900237 /nfs/dbraw/zinc/90/02/37/814900237.db2.gz CDZDIDMPFNOMEZ-GOVFWEMJSA-N 1 1 298.430 3.021 20 30 CGEDMO CCCCCCC[C@H](CCC)OCC[C@H]([NH3+])C(=O)OC ZINC001217895319 815994742 /nfs/dbraw/zinc/99/47/42/815994742.db2.gz AENNHLBPWLUBHJ-GJZGRUSLSA-N 1 1 287.444 3.423 20 30 CGEDMO CC[C@@H](C#Cc1ccccc1)Oc1ccc(C(=O)C[NH3+])cc1 ZINC001218439333 816213253 /nfs/dbraw/zinc/21/32/53/816213253.db2.gz SHMRNKQOIKTXRV-KRWDZBQOSA-N 1 1 293.366 3.037 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C3(C)CCC3)[C@@H]2C1 ZINC001221735851 816323934 /nfs/dbraw/zinc/32/39/34/816323934.db2.gz ZATUIJHNTNFCNH-BZUAXINKSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[N@@H+](CC=C(C)C)C[C@H]21 ZINC001221754297 816325865 /nfs/dbraw/zinc/32/58/65/816325865.db2.gz HUGGQUBTGAEDQA-GVDBMIGSSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)CC)[C@@H]2C1 ZINC001221778630 816327901 /nfs/dbraw/zinc/32/79/01/816327901.db2.gz RRVCHLACRPTVDF-BZUAXINKSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](CC)C(C)(C)C)[C@@H]2C1 ZINC001221944504 816336962 /nfs/dbraw/zinc/33/69/62/816336962.db2.gz RGHBYSONYWFOQH-OWCLPIDISA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)CCCCC)CC1 ZINC001222372374 816421025 /nfs/dbraw/zinc/42/10/25/816421025.db2.gz ZFBDZBMRFJHDCQ-UHFFFAOYSA-N 1 1 286.847 3.147 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)CCCC)C[C@@H]21 ZINC001222631747 816485276 /nfs/dbraw/zinc/48/52/76/816485276.db2.gz DUBOHTRESIUPOP-ZACQAIPSSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)/C=C(/C)CC)C[C@@H]21 ZINC001222644949 816489166 /nfs/dbraw/zinc/48/91/66/816489166.db2.gz ISBSMSNHSGIVRC-PVBRJXJSSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)/C=C(/C)CC)C[C@@H]21 ZINC001222644949 816489172 /nfs/dbraw/zinc/48/91/72/816489172.db2.gz ISBSMSNHSGIVRC-PVBRJXJSSA-N 1 1 296.842 3.018 20 30 CGEDMO CCCCCCCCCNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001223275011 816595243 /nfs/dbraw/zinc/59/52/43/816595243.db2.gz SUTAKIJBVGHTHJ-HOTGVXAUSA-N 1 1 295.471 3.083 20 30 CGEDMO C=C[C@H](O[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC001223310833 816601974 /nfs/dbraw/zinc/60/19/74/816601974.db2.gz QYIMYGCHEVJYIB-CABCVRRESA-N 1 1 254.333 3.142 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]2CC[N@@H+](CC(=C)Cl)[C@H]2C1 ZINC001223394000 816623089 /nfs/dbraw/zinc/62/30/89/816623089.db2.gz YNKOTLOBOQDXHV-CABCVRRESA-N 1 1 296.842 3.018 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]2CC[N@H+](CC(=C)Cl)[C@H]2C1 ZINC001223394000 816623091 /nfs/dbraw/zinc/62/30/91/816623091.db2.gz YNKOTLOBOQDXHV-CABCVRRESA-N 1 1 296.842 3.018 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)C(C)C)C[C@@H]21 ZINC001223605656 816656633 /nfs/dbraw/zinc/65/66/33/816656633.db2.gz HQLMPUBISVEPMF-ZACQAIPSSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)CC(C)C)C[C@@H]21 ZINC001223874745 816694860 /nfs/dbraw/zinc/69/48/60/816694860.db2.gz MGUGRWNRJGHCQU-CVEARBPZSA-N 1 1 292.467 3.168 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H](OCCCCCCC#N)C1 ZINC001224374719 816789799 /nfs/dbraw/zinc/78/97/99/816789799.db2.gz AVUICFZCCYEBJC-HNNXBMFYSA-N 1 1 252.402 3.350 20 30 CGEDMO C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC[C@@H]1CCC[N@H+]1C ZINC001224817773 816889629 /nfs/dbraw/zinc/88/96/29/816889629.db2.gz ZSFXABZYXXYLLS-UGUYLWEFSA-N 1 1 251.414 3.478 20 30 CGEDMO C[C@H](CS)OC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001224827530 816891113 /nfs/dbraw/zinc/89/11/13/816891113.db2.gz VZCJSBPNIAKBGC-GDBMZVCRSA-N 1 1 279.449 3.234 20 30 CGEDMO C(#CC1CC1)CO[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001224851141 816894234 /nfs/dbraw/zinc/89/42/34/816894234.db2.gz WKTGUQHGNQWCBP-SLFFLAALSA-N 1 1 295.426 3.327 20 30 CGEDMO C(#CC1CC1)CO[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001224851143 816894747 /nfs/dbraw/zinc/89/47/47/816894747.db2.gz WKTGUQHGNQWCBP-XUVXKRRUSA-N 1 1 295.426 3.327 20 30 CGEDMO C=C(C)[C@@H]1CC[C@H](C)C[C@H]1OCCC[NH+]1CCOCC1 ZINC001224866938 816897980 /nfs/dbraw/zinc/89/79/80/816897980.db2.gz JTGYWIINTJUEQD-YESZJQIVSA-N 1 1 281.440 3.106 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC001224913316 816909078 /nfs/dbraw/zinc/90/90/78/816909078.db2.gz BCZIVEUCKKECHB-LSDHHAIUSA-N 1 1 295.471 3.151 20 30 CGEDMO N#CC1(CO[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC001224949814 816915979 /nfs/dbraw/zinc/91/59/79/816915979.db2.gz IIUMGPNAGSFWDN-OKZBNKHCSA-N 1 1 296.414 3.217 20 30 CGEDMO Cc1cc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(C)c1C#N ZINC001226830848 817478709 /nfs/dbraw/zinc/47/87/09/817478709.db2.gz DDZAVAYPRSYUTO-MIFYACCESA-N 1 1 270.376 3.179 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H](Oc2ccc(Cl)cc2C#N)C1 ZINC001227205508 817590620 /nfs/dbraw/zinc/59/06/20/817590620.db2.gz LGFUUHUAAWRCCZ-CQSZACIVSA-N 1 1 278.783 3.463 20 30 CGEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cccc(Cl)c1C#N)C2 ZINC001227788781 817721441 /nfs/dbraw/zinc/72/14/41/817721441.db2.gz GDIJPTNGGNSWJN-ZSBIGDGJSA-N 1 1 276.767 3.216 20 30 CGEDMO Cc1cc(C#N)cc(O[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001227838030 817730928 /nfs/dbraw/zinc/73/09/28/817730928.db2.gz HZNFGLVJSUYQQA-HNNXBMFYSA-N 1 1 258.365 3.118 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H](Oc2c(F)cc(C#N)cc2F)C1 ZINC001228081088 817804593 /nfs/dbraw/zinc/80/45/93/817804593.db2.gz WVRNAJXATLMOIH-GFCCVEGCSA-N 1 1 280.318 3.088 20 30 CGEDMO C#C[C@@H](CC)Oc1ccc(Br)c(C[NH+](C)C)c1 ZINC001228545479 817934655 /nfs/dbraw/zinc/93/46/55/817934655.db2.gz IVBJZOBJXLVFPE-LBPRGKRZSA-N 1 1 296.208 3.301 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(Br)c[nH]1 ZINC001231576004 818126263 /nfs/dbraw/zinc/12/62/63/818126263.db2.gz SESCJSDPQKLTQL-UHFFFAOYSA-N 1 1 257.175 3.175 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)c1 ZINC001231658893 818150805 /nfs/dbraw/zinc/15/08/05/818150805.db2.gz ARMOZKOJJZPHOP-IBGZPJMESA-N 1 1 295.357 3.460 20 30 CGEDMO C#Cc1cccc(C[N@H+](C)Cc2ccccc2OC)c1 ZINC001231659767 818151922 /nfs/dbraw/zinc/15/19/22/818151922.db2.gz UXBQPJSDWAMGAB-UHFFFAOYSA-N 1 1 265.356 3.309 20 30 CGEDMO C#Cc1cccc(C[N@H+](C)CCc2ccc(OC)cc2)c1 ZINC001231662513 818153579 /nfs/dbraw/zinc/15/35/79/818153579.db2.gz HBSPECXNDJBEGN-UHFFFAOYSA-N 1 1 279.383 3.351 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CC[C@H](Oc3ccc(C)cn3)C2)c1 ZINC001231664886 818153655 /nfs/dbraw/zinc/15/36/55/818153655.db2.gz YPCUKCOVDJMXBJ-SFHVURJKSA-N 1 1 292.382 3.025 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1c[nH]c2c1cccc2OC ZINC001231900655 818207463 /nfs/dbraw/zinc/20/74/63/818207463.db2.gz LXQZDPIMHLLEAH-UHFFFAOYSA-N 1 1 271.364 3.302 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1c[nH]c2c1cccc2OC ZINC001231900655 818207467 /nfs/dbraw/zinc/20/74/67/818207467.db2.gz LXQZDPIMHLLEAH-UHFFFAOYSA-N 1 1 271.364 3.302 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCCOC3)cc1Cl ZINC001232117338 818259844 /nfs/dbraw/zinc/25/98/44/818259844.db2.gz YDBBBONPUHWBPB-MRXNPFEDSA-N 1 1 290.794 3.214 20 30 CGEDMO N#Cc1ccc([O-])c(C[N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)c1 ZINC001232677525 818416436 /nfs/dbraw/zinc/41/64/36/818416436.db2.gz FKWVLGUWROXJBN-GASCZTMLSA-N 1 1 290.366 3.351 20 30 CGEDMO N#Cc1ccc([O-])c(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)c1 ZINC001232678665 818417524 /nfs/dbraw/zinc/41/75/24/818417524.db2.gz MLPHQZPHERTZGS-HNNXBMFYSA-N 1 1 296.345 3.392 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2ccc3ncsc3c2)CC1 ZINC001232742047 818431337 /nfs/dbraw/zinc/43/13/37/818431337.db2.gz RCMHPMQFIOGNAK-LBPRGKRZSA-N 1 1 271.389 3.422 20 30 CGEDMO COc1ccc(CC[N@@H+](C)Cc2ccc(C#N)s2)cc1 ZINC001232845707 818454216 /nfs/dbraw/zinc/45/42/16/818454216.db2.gz LEAIYMPOWLYSOW-UHFFFAOYSA-N 1 1 286.400 3.303 20 30 CGEDMO C[N@@H+](CCc1cccc(F)c1)Cc1ccc(C#N)s1 ZINC001232846941 818455232 /nfs/dbraw/zinc/45/52/32/818455232.db2.gz PEBBRBHRIMJOQR-UHFFFAOYSA-N 1 1 274.364 3.433 20 30 CGEDMO C[N@@H+](Cc1ccc2ncoc2c1)Cc1cccc(C#N)c1 ZINC001232944625 818479640 /nfs/dbraw/zinc/47/96/40/818479640.db2.gz WUBMXPSGPONNBW-UHFFFAOYSA-N 1 1 277.327 3.331 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCC[C@H](C(F)F)C2)c(C#N)c1 ZINC001232966140 818486049 /nfs/dbraw/zinc/48/60/49/818486049.db2.gz GSRQXBPJZLUUKC-ZDUSSCGKSA-N 1 1 264.319 3.344 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@H](C(F)F)C2)c(C#N)c1 ZINC001232966140 818486051 /nfs/dbraw/zinc/48/60/51/818486051.db2.gz GSRQXBPJZLUUKC-ZDUSSCGKSA-N 1 1 264.319 3.344 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001233082436 818519355 /nfs/dbraw/zinc/51/93/55/818519355.db2.gz MHSLLVMVSJBYTE-XGBSXSJOSA-N 1 1 265.360 3.133 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001233082857 818520757 /nfs/dbraw/zinc/52/07/57/818520757.db2.gz LJKLWPJPYYXBSZ-LJQANCHMSA-N 1 1 291.398 3.469 20 30 CGEDMO CC(C)(C)c1ccc(O)c(C[N@@H+]2CCC[C@@H](C#N)C2)c1 ZINC001233286220 818568048 /nfs/dbraw/zinc/56/80/48/818568048.db2.gz KPFNBQYNJDCSJS-ZDUSSCGKSA-N 1 1 272.392 3.425 20 30 CGEDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CCC[C@@H](C#N)C2)c1 ZINC001233286220 818568053 /nfs/dbraw/zinc/56/80/53/818568053.db2.gz KPFNBQYNJDCSJS-ZDUSSCGKSA-N 1 1 272.392 3.425 20 30 CGEDMO Cc1ccc2c(c1)C[N@@H+](Cc1ccc(C#N)cc1O)CC2 ZINC001233383531 818604559 /nfs/dbraw/zinc/60/45/59/818604559.db2.gz LLAHHEWKOYUDFK-UHFFFAOYSA-N 1 1 278.355 3.131 20 30 CGEDMO Cc1ccc2c(c1)C[N@H+](Cc1ccc(C#N)cc1O)CC2 ZINC001233383531 818604562 /nfs/dbraw/zinc/60/45/62/818604562.db2.gz LLAHHEWKOYUDFK-UHFFFAOYSA-N 1 1 278.355 3.131 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(F)c(F)cc1N ZINC001233382116 818605258 /nfs/dbraw/zinc/60/52/58/818605258.db2.gz HNPWQZYIYSDVEN-UHFFFAOYSA-N 1 1 287.313 3.051 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(F)c(F)cc1N ZINC001233382116 818605262 /nfs/dbraw/zinc/60/52/62/818605262.db2.gz HNPWQZYIYSDVEN-UHFFFAOYSA-N 1 1 287.313 3.051 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c(O)c1 ZINC001233386476 818607119 /nfs/dbraw/zinc/60/71/19/818607119.db2.gz VQCTUQPYLYPBDO-CQSZACIVSA-N 1 1 296.345 3.392 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3ccccc3F)C2)c(O)c1 ZINC001233386476 818607122 /nfs/dbraw/zinc/60/71/22/818607122.db2.gz VQCTUQPYLYPBDO-CQSZACIVSA-N 1 1 296.345 3.392 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)c(O)c1 ZINC001233386016 818607218 /nfs/dbraw/zinc/60/72/18/818607218.db2.gz BNTTYDOHAXBWNQ-GDBMZVCRSA-N 1 1 270.376 3.418 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)c(O)c1 ZINC001233386016 818607222 /nfs/dbraw/zinc/60/72/22/818607222.db2.gz BNTTYDOHAXBWNQ-GDBMZVCRSA-N 1 1 270.376 3.418 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)/C=C\C1CC1 ZINC001233498095 818627774 /nfs/dbraw/zinc/62/77/74/818627774.db2.gz APOLEZPALTXLSD-MQNTZWLQSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCc1ccc(OC2CC[NH+](CCF)CC2)cc1 ZINC001233596438 818653800 /nfs/dbraw/zinc/65/38/00/818653800.db2.gz YDQOHPOWUXFOLK-UHFFFAOYSA-N 1 1 263.356 3.228 20 30 CGEDMO C[N@H+]1CC[C@H](Oc2ccc(-c3cccc(C#N)c3)cc2)C1 ZINC001233867447 818720874 /nfs/dbraw/zinc/72/08/74/818720874.db2.gz UKRRHRMAFOIVSF-SFHVURJKSA-N 1 1 278.355 3.308 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)CC(C)(C)C ZINC001233997995 818750602 /nfs/dbraw/zinc/75/06/02/818750602.db2.gz UPVUGEMCUSOUBR-AWEZNQCLSA-N 1 1 268.445 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)CCCC ZINC001234049362 818767905 /nfs/dbraw/zinc/76/79/05/818767905.db2.gz HCRWKFOVNJIPMX-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO Cc1cc2ccccc2cc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001234107469 818782973 /nfs/dbraw/zinc/78/29/73/818782973.db2.gz ZMXNBFYXEPUIEI-ADJODDSESA-N 1 1 295.382 3.139 20 30 CGEDMO Cc1cc2ccccc2cc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001234107469 818782982 /nfs/dbraw/zinc/78/29/82/818782982.db2.gz ZMXNBFYXEPUIEI-ADJODDSESA-N 1 1 295.382 3.139 20 30 CGEDMO C=C(C)C[N@H+](C)CCCNC(=O)[C@@H](CC)CCCC ZINC001234268851 818821143 /nfs/dbraw/zinc/82/11/43/818821143.db2.gz JOMZCISMNNQQRA-HNNXBMFYSA-N 1 1 268.445 3.217 20 30 CGEDMO C=CCC(CC=C)C(=O)N(C)C[C@H]1CC[N@@H+]1C[C@@H](C)CC ZINC001234509796 818869879 /nfs/dbraw/zinc/86/98/79/818869879.db2.gz PXCBOTSPWIZMRH-DOTOQJQBSA-N 1 1 292.467 3.334 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@]1(C)CC=CCC1 ZINC001234525354 818873108 /nfs/dbraw/zinc/87/31/08/818873108.db2.gz BGPHUZOXXJPMSL-AEFFLSMTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)/C=C(\C)C1CC1 ZINC001234541290 818878222 /nfs/dbraw/zinc/87/82/22/818878222.db2.gz ZWQYWYMQLDTMDJ-BUYIWHAFSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCCNC(=O)C=C1CCCCC1 ZINC001234999162 818973850 /nfs/dbraw/zinc/97/38/50/818973850.db2.gz FRMIXKIAUXEYLH-UHFFFAOYSA-N 1 1 278.440 3.281 20 30 CGEDMO CCc1cc(CN2CCC[C@]3(CCC[NH2+]3)CC2)ccc1C#N ZINC001235037147 818986111 /nfs/dbraw/zinc/98/61/11/818986111.db2.gz DZIRTDZOCXHVQF-LJQANCHMSA-N 1 1 297.446 3.229 20 30 CGEDMO CCc1cccc(C[N@@H+]2CCc3cc(C#N)ccc3C2)n1 ZINC001235256452 819053819 /nfs/dbraw/zinc/05/38/19/819053819.db2.gz ZMBCGXLBTRYHNM-UHFFFAOYSA-N 1 1 277.371 3.074 20 30 CGEDMO CCc1cccc(C[N@H+]2CCc3cc(C#N)ccc3C2)n1 ZINC001235256452 819053826 /nfs/dbraw/zinc/05/38/26/819053826.db2.gz ZMBCGXLBTRYHNM-UHFFFAOYSA-N 1 1 277.371 3.074 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cnc(OC(C)C)cc2C)C1 ZINC001235428121 819094162 /nfs/dbraw/zinc/09/41/62/819094162.db2.gz JMZNMLIYGVSXFE-OAHLLOKOSA-N 1 1 272.392 3.022 20 30 CGEDMO Cc1cc(OC(C)C)ncc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001235427215 819094252 /nfs/dbraw/zinc/09/42/52/819094252.db2.gz CDHRBCWSISIKOX-HNNXBMFYSA-N 1 1 287.407 3.303 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C1(C)CCCCCC1 ZINC001235454847 819102314 /nfs/dbraw/zinc/10/23/14/819102314.db2.gz NFCMJSHKPRLYNO-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC(=O)NCCC[N@H+](C)[C@@H](C)c1cccc(F)c1 ZINC001235464562 819104726 /nfs/dbraw/zinc/10/47/26/819104726.db2.gz LDQBXDFEAGLUCB-AWEZNQCLSA-N 1 1 292.398 3.291 20 30 CGEDMO CC[N@@H+](Cc1cccnc1)Cc1ccccc1CC#N ZINC001235523736 819114714 /nfs/dbraw/zinc/11/47/14/819114714.db2.gz TWYQYVVEROTLQH-UHFFFAOYSA-N 1 1 265.360 3.170 20 30 CGEDMO COc1cccc(CC[N@@H+](C)Cc2ccccc2CC#N)c1 ZINC001235523981 819114945 /nfs/dbraw/zinc/11/49/45/819114945.db2.gz XLFGZFAKBKYDET-UHFFFAOYSA-N 1 1 294.398 3.436 20 30 CGEDMO COC(C)(C)[C@H]1CCC[N@H+]1Cc1ccccc1CC#N ZINC001235522705 819114983 /nfs/dbraw/zinc/11/49/83/819114983.db2.gz IQGSDYMYGDZZNA-MRXNPFEDSA-N 1 1 272.392 3.142 20 30 CGEDMO N#Cc1cccc(C2CCN(CC[C@H]3CCCC[NH2+]3)CC2)c1 ZINC001235718373 819151925 /nfs/dbraw/zinc/15/19/25/819151925.db2.gz FZHAWNHRYPCZCB-LJQANCHMSA-N 1 1 297.446 3.270 20 30 CGEDMO C=CCCCCCCC[N@@H+]1C[C@H]2CCC[C@@H](C1)N2 ZINC001236095218 819314150 /nfs/dbraw/zinc/31/41/50/819314150.db2.gz OBULINRAKMZSLW-IYBDPMFKSA-N 1 1 250.430 3.339 20 30 CGEDMO C=CCCCCCCCN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001236095218 819314158 /nfs/dbraw/zinc/31/41/58/819314158.db2.gz OBULINRAKMZSLW-IYBDPMFKSA-N 1 1 250.430 3.339 20 30 CGEDMO CCCCCCCCCCC[N@H+]1CC[C@@](N)(C(=O)OC)C1 ZINC001236280232 819411941 /nfs/dbraw/zinc/41/19/41/819411941.db2.gz UZLDXBUPOXFAEE-KRWDZBQOSA-N 1 1 298.471 3.093 20 30 CGEDMO CCCCCCCCCCN(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236412529 819458893 /nfs/dbraw/zinc/45/88/93/819458893.db2.gz WHZGJSQVISRSFY-ZSHCYNCHSA-N 1 1 252.446 3.277 20 30 CGEDMO C=CCCCCCCCCN(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236417076 819462482 /nfs/dbraw/zinc/46/24/82/819462482.db2.gz WSPLQDDRENDGHA-ZSHCYNCHSA-N 1 1 250.430 3.053 20 30 CGEDMO C[N@H+]1CCc2c(F)cc(-c3ccc(C#N)cc3F)cc2C1 ZINC001236534435 819525755 /nfs/dbraw/zinc/52/57/55/819525755.db2.gz DRLGPZRXBOXORW-UHFFFAOYSA-N 1 1 284.309 3.491 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2cc(F)cc3c2OCCC3)CC1 ZINC001236629946 819555595 /nfs/dbraw/zinc/55/55/95/819555595.db2.gz NFNGDXSNWUATTB-ZDUSSCGKSA-N 1 1 288.366 3.276 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2cc(F)cc3c2OCCC3)CC1 ZINC001236629946 819555597 /nfs/dbraw/zinc/55/55/97/819555597.db2.gz NFNGDXSNWUATTB-ZDUSSCGKSA-N 1 1 288.366 3.276 20 30 CGEDMO Cc1cc(Cl)cc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)n1 ZINC001236643989 819558540 /nfs/dbraw/zinc/55/85/40/819558540.db2.gz RRTNJGYNGSKQKD-UWEBFBLFSA-N 1 1 275.783 3.310 20 30 CGEDMO Cc1cc(Cl)cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)n1 ZINC001236643989 819558546 /nfs/dbraw/zinc/55/85/46/819558546.db2.gz RRTNJGYNGSKQKD-UWEBFBLFSA-N 1 1 275.783 3.310 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc(O)cc2OC(F)(F)F)C1 ZINC001236730165 819583354 /nfs/dbraw/zinc/58/33/54/819583354.db2.gz JMTNFQAKQNGTOF-NSHDSACASA-N 1 1 299.292 3.136 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(O)cc2OC(F)(F)F)C1 ZINC001236730165 819583358 /nfs/dbraw/zinc/58/33/58/819583358.db2.gz JMTNFQAKQNGTOF-NSHDSACASA-N 1 1 299.292 3.136 20 30 CGEDMO CCc1ccc(C[N@H+]2CCc3cc(C#N)ccc3C2)c(O)c1 ZINC001236783861 819593162 /nfs/dbraw/zinc/59/31/62/819593162.db2.gz PEGOHRMWHPNELD-UHFFFAOYSA-N 1 1 292.382 3.385 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC3(CC3)C2)cc1Br ZINC001236855862 819623086 /nfs/dbraw/zinc/62/30/86/819623086.db2.gz HVBSOOXHVJHQKF-UHFFFAOYSA-N 1 1 291.192 3.307 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC3(CC3)C2)cc1Br ZINC001236855862 819623090 /nfs/dbraw/zinc/62/30/90/819623090.db2.gz HVBSOOXHVJHQKF-UHFFFAOYSA-N 1 1 291.192 3.307 20 30 CGEDMO N#Cc1ccc(C[NH+]2CC3CC(C3)C2)cc1Br ZINC001236866622 819626396 /nfs/dbraw/zinc/62/63/96/819626396.db2.gz RZURZMKBADVSME-UHFFFAOYSA-N 1 1 291.192 3.163 20 30 CGEDMO CCOc1ccc(C[N@@H+](CCC#N)C2CCCC2)c(O)c1 ZINC001237041064 819648286 /nfs/dbraw/zinc/64/82/86/819648286.db2.gz CJHLKIWPMACZFG-UHFFFAOYSA-N 1 1 288.391 3.449 20 30 CGEDMO N#CCC[N@H+](CC1OC=CC1=S)C1CCCC1 ZINC001237177970 819687598 /nfs/dbraw/zinc/68/75/98/819687598.db2.gz HCQCFVIOUXWBSD-UHFFFAOYSA-N 1 1 250.367 3.227 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2ccncc2C(F)(F)F)CC1 ZINC001237291833 819719615 /nfs/dbraw/zinc/71/96/15/819719615.db2.gz HUCLJWUSBZDSOR-NSHDSACASA-N 1 1 283.297 3.226 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2ccncc2C(F)(F)F)CC1 ZINC001237291833 819719620 /nfs/dbraw/zinc/71/96/20/819719620.db2.gz HUCLJWUSBZDSOR-NSHDSACASA-N 1 1 283.297 3.226 20 30 CGEDMO Cn1cc(C[N@@H+](C)C[C@@H]2CCCCO2)c2cc(C#N)ccc21 ZINC001237470793 819759317 /nfs/dbraw/zinc/75/93/17/819759317.db2.gz JNVRSSJISWOGGA-INIZCTEOSA-N 1 1 297.402 3.051 20 30 CGEDMO COCC[C@@H]1CCCC[N@H+]1Cc1cc(C#N)c(F)cc1F ZINC001237526906 819771513 /nfs/dbraw/zinc/77/15/13/819771513.db2.gz SAKRKCVIPZIYJW-AWEZNQCLSA-N 1 1 294.345 3.227 20 30 CGEDMO COc1ccc(C)c(C[N@H+]2CCC[C@@H](C#N)CC2)c1 ZINC001237709399 819816187 /nfs/dbraw/zinc/81/61/87/819816187.db2.gz IDZIZLZXSWFMLL-CQSZACIVSA-N 1 1 258.365 3.129 20 30 CGEDMO COCC[N@@H+](Cc1cc(Cl)cc(C#N)c1)C(C)C ZINC001237756594 819837514 /nfs/dbraw/zinc/83/75/14/819837514.db2.gz KUPSXKBQJZWPKA-UHFFFAOYSA-N 1 1 266.772 3.068 20 30 CGEDMO CCOc1ccc(C[N@H+]2CCC[C@@H](C#N)CC2)cc1F ZINC001237956342 819895483 /nfs/dbraw/zinc/89/54/83/819895483.db2.gz MTSJVWXQFKSTMM-CYBMUJFWSA-N 1 1 276.355 3.350 20 30 CGEDMO C[C@]1(CF)CC[N@@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238188546 819951037 /nfs/dbraw/zinc/95/10/37/819951037.db2.gz FEMNYBFSJPGIQW-CQSZACIVSA-N 1 1 266.747 3.393 20 30 CGEDMO CC(C)O[C@@H]1CC[N@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238195703 819952594 /nfs/dbraw/zinc/95/25/94/819952594.db2.gz KGAMCSDMUQUYCQ-CQSZACIVSA-N 1 1 278.783 3.211 20 30 CGEDMO CC(C)O[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238195703 819952598 /nfs/dbraw/zinc/95/25/98/819952598.db2.gz KGAMCSDMUQUYCQ-CQSZACIVSA-N 1 1 278.783 3.211 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(OC(C)C)cc2F)C1 ZINC001238450505 820001492 /nfs/dbraw/zinc/00/14/92/820001492.db2.gz VCVFXRLIDMKHEV-CQSZACIVSA-N 1 1 275.367 3.458 20 30 CGEDMO C=CC[NH+]1CCN(Cc2ccc(F)c(C3CC3)c2)CC1 ZINC001238501556 820028383 /nfs/dbraw/zinc/02/83/83/820028383.db2.gz OESIZSQLPVJFSX-UHFFFAOYSA-N 1 1 274.383 3.007 20 30 CGEDMO CCOc1ccc(C)c(C[N@@H+]2CC[C@@](C)(C#N)C2)c1 ZINC001238714363 820097589 /nfs/dbraw/zinc/09/75/89/820097589.db2.gz SHVUFFGFHULABW-INIZCTEOSA-N 1 1 258.365 3.129 20 30 CGEDMO CCOc1ccc(C)c(C[N@H+]2CC[C@@](C)(C#N)C2)c1 ZINC001238714363 820097599 /nfs/dbraw/zinc/09/75/99/820097599.db2.gz SHVUFFGFHULABW-INIZCTEOSA-N 1 1 258.365 3.129 20 30 CGEDMO CCc1cc(C[N@@H+](C)Cc2ccccn2)ccc1C#N ZINC001238766289 820110885 /nfs/dbraw/zinc/11/08/85/820110885.db2.gz KFLBEGUBRXEZHX-UHFFFAOYSA-N 1 1 265.360 3.148 20 30 CGEDMO CCc1cc(C[N@H+]2CC[C@H](OC)C[C@H]2C)ccc1C#N ZINC001238771439 820114514 /nfs/dbraw/zinc/11/45/14/820114514.db2.gz FHTDFSRJOIPKAW-DYVFJYSZSA-N 1 1 272.392 3.120 20 30 CGEDMO N#CCc1ccc(-c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC001240477251 821080675 /nfs/dbraw/zinc/08/06/75/821080675.db2.gz WVKRCUISWYCMOX-UHFFFAOYSA-N 1 1 292.382 3.252 20 30 CGEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(-c2cccnc2C#N)nc1 ZINC001242311560 822947950 /nfs/dbraw/zinc/94/79/50/822947950.db2.gz QAIUBWHIXCACHM-AWEZNQCLSA-N 1 1 292.386 3.390 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(Cl)cc1F)CC1CC1 ZINC001338564685 936328199 /nfs/dbraw/zinc/32/81/99/936328199.db2.gz JMDIVBIMEORVQJ-UHFFFAOYSA-N 1 1 251.732 3.324 20 30 CGEDMO C#CC[N@H+](Cc1ccc(Cl)cc1F)CC1CC1 ZINC001338564685 936328202 /nfs/dbraw/zinc/32/82/02/936328202.db2.gz JMDIVBIMEORVQJ-UHFFFAOYSA-N 1 1 251.732 3.324 20 30 CGEDMO C=CC[C@@H]([NH2+][C@H]1CCCC(C)(C)C1)C(=O)OCC ZINC001339095787 936349407 /nfs/dbraw/zinc/34/94/07/936349407.db2.gz SFAWTYZYPLTJSV-QWHCGFSZSA-N 1 1 253.386 3.053 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccn2)CCC1=NOC(C)(C)C ZINC001341307273 936433715 /nfs/dbraw/zinc/43/37/15/936433715.db2.gz FCZVYFFJBHKGEG-ZDUSSCGKSA-N 1 1 275.396 3.095 20 30 CGEDMO C#CC[N@@H+](Cc1cc(F)ccc1Cl)CC1CC1 ZINC001343243950 936491590 /nfs/dbraw/zinc/49/15/90/936491590.db2.gz ZHDJLTZVXCZGIB-UHFFFAOYSA-N 1 1 251.732 3.324 20 30 CGEDMO C#CC[N@H+](Cc1cc(F)ccc1Cl)CC1CC1 ZINC001343243950 936491592 /nfs/dbraw/zinc/49/15/92/936491592.db2.gz ZHDJLTZVXCZGIB-UHFFFAOYSA-N 1 1 251.732 3.324 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cc(C)nc3c2CCCC3)C1 ZINC001343018663 936486940 /nfs/dbraw/zinc/48/69/40/936486940.db2.gz BTTQFCUGYCNXFW-INIZCTEOSA-N 1 1 286.419 3.046 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCCNC(=O)[C@H]1CC2CCC1CC2 ZINC001479816583 936536809 /nfs/dbraw/zinc/53/68/09/936536809.db2.gz VRNNVZJZCNRURK-JCYILVPMSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)C2(CCC)CC2)C1 ZINC001479963892 936949809 /nfs/dbraw/zinc/94/98/09/936949809.db2.gz YOWFEAFZPVPOFJ-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3cccnc3)C2)s1 ZINC001349646689 936955414 /nfs/dbraw/zinc/95/54/14/936955414.db2.gz NGKKIPAEZADBNV-CQSZACIVSA-N 1 1 283.400 3.394 20 30 CGEDMO C=C(CC(C)C)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC001350899551 937002307 /nfs/dbraw/zinc/00/23/07/937002307.db2.gz OGWSIAAWQYIDES-HNNXBMFYSA-N 1 1 280.456 3.217 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)CC1 ZINC001351183458 937010446 /nfs/dbraw/zinc/01/04/46/937010446.db2.gz IDCORFGLRWTIHR-ACBHZAAOSA-N 1 1 298.430 3.260 20 30 CGEDMO CCC[C@H](C)[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC001354529026 937105132 /nfs/dbraw/zinc/10/51/32/937105132.db2.gz SFYJXROOYKTDCW-GOEBONIOSA-N 1 1 257.381 3.127 20 30 CGEDMO CCC[C@H](C)[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC001354529026 937105134 /nfs/dbraw/zinc/10/51/34/937105134.db2.gz SFYJXROOYKTDCW-GOEBONIOSA-N 1 1 257.381 3.127 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCNC(=O)c1ccc(C)cc1Cl ZINC001480915091 926779817 /nfs/dbraw/zinc/77/98/17/926779817.db2.gz NCDLBOLIFZSAFW-UHFFFAOYSA-N 1 1 294.826 3.276 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CCC[N@@H+]2CC=C(C)C)CCC1 ZINC001481058363 926876224 /nfs/dbraw/zinc/87/62/24/926876224.db2.gz WUMBPIMZUYEPEN-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)c1ccc(F)cc1C ZINC001481152295 926898013 /nfs/dbraw/zinc/89/80/13/926898013.db2.gz LTUPKLLNOAYIFB-UHFFFAOYSA-N 1 1 292.398 3.152 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)C1CCC(F)CC1)C(C)C ZINC001481353938 926964339 /nfs/dbraw/zinc/96/43/39/926964339.db2.gz KODOGIJUHCULGL-UHFFFAOYSA-N 1 1 298.446 3.308 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCCC ZINC001481385824 926972342 /nfs/dbraw/zinc/97/23/42/926972342.db2.gz YUJPQXYJZSMNAD-SOLBZPMBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC001481524431 927014615 /nfs/dbraw/zinc/01/46/15/927014615.db2.gz SJFJADIACHVWSH-SJLPKXTDSA-N 1 1 298.430 3.221 20 30 CGEDMO C=CCC[C@@H](C)[NH+]1CC(NC(=O)c2cc(C)c(C)s2)C1 ZINC001481600781 927037955 /nfs/dbraw/zinc/03/79/55/927037955.db2.gz VKLZRBDKSNESSZ-GFCCVEGCSA-N 1 1 292.448 3.134 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C=C(CC)CC)C1 ZINC001481719422 927074755 /nfs/dbraw/zinc/07/47/55/927074755.db2.gz JFOHJCQXAWVDTC-INIZCTEOSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001358112426 927282418 /nfs/dbraw/zinc/28/24/18/927282418.db2.gz UADFUPRSAGBEDF-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)C[C@H]1C=CCC1 ZINC001482579031 927302059 /nfs/dbraw/zinc/30/20/59/927302059.db2.gz PKFOIAQVYXGGHA-CVEARBPZSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@]12C[C@H]1CCCC2 ZINC001496780614 927362629 /nfs/dbraw/zinc/36/26/29/927362629.db2.gz CUDUQEWJENNYAG-LZLYRXPVSA-N 1 1 292.467 3.312 20 30 CGEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@H]2C2CCCCC2)CCC1 ZINC001307421490 927460714 /nfs/dbraw/zinc/46/07/14/927460714.db2.gz GYRGHLZPCOOPFZ-IRXDYDNUSA-N 1 1 290.451 3.476 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)c1ccccc1CCC ZINC001483365315 927490426 /nfs/dbraw/zinc/49/04/26/927490426.db2.gz OIUZLNHDNLBEET-OAHLLOKOSA-N 1 1 288.435 3.265 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC(C)(C)C1 ZINC001483383689 927492859 /nfs/dbraw/zinc/49/28/59/927492859.db2.gz LZAXEADZXBLHQR-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(C=C)cc1 ZINC001483387169 927496725 /nfs/dbraw/zinc/49/67/25/927496725.db2.gz LBJJDIITGTXCTF-OAHLLOKOSA-N 1 1 286.419 3.346 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)c1cccc(C)c1 ZINC001483392387 927496790 /nfs/dbraw/zinc/49/67/90/927496790.db2.gz WWEIAGHSAHVPMW-CVEARBPZSA-N 1 1 288.435 3.111 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc2ccccc2c1 ZINC001483408439 927498409 /nfs/dbraw/zinc/49/84/09/927498409.db2.gz LBSZSYNVSXLEAN-OAHLLOKOSA-N 1 1 296.414 3.466 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC=CCCC1 ZINC001483658122 927562302 /nfs/dbraw/zinc/56/23/02/927562302.db2.gz GLTRGVRXFPBXCD-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC)CCC)C2)C1 ZINC001483846660 927635554 /nfs/dbraw/zinc/63/55/54/927635554.db2.gz IPPJVEHXYQQSMA-WMZOPIPTSA-N 1 1 292.467 3.313 20 30 CGEDMO C#CCCCCC(=O)NC[C@@]1(C)CCC[N@H+](CC(C)C)C1 ZINC001484157679 927682434 /nfs/dbraw/zinc/68/24/34/927682434.db2.gz NEPQZHAJBMLCRI-GOSISDBHSA-N 1 1 292.467 3.054 20 30 CGEDMO C#CCCCCC(=O)NC[C@]1(C)CCC[N@H+](CCCC)C1 ZINC001484158302 927684932 /nfs/dbraw/zinc/68/49/32/927684932.db2.gz YYYWIIIYCDZYDL-SFHVURJKSA-N 1 1 292.467 3.198 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@@]2(C)C=CCC2)C1 ZINC001484166567 927687657 /nfs/dbraw/zinc/68/76/57/927687657.db2.gz JSZPMIHGILETMD-ROUUACIJSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](CC)CCC)C[C@H]2C1 ZINC001484413583 927703403 /nfs/dbraw/zinc/70/34/03/927703403.db2.gz RLHNIULCCZPQNV-YESZJQIVSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCCC ZINC001484456137 927705959 /nfs/dbraw/zinc/70/59/59/927705959.db2.gz LPEYGUATTHBIDX-JKSUJKDBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C=C(CC)CC ZINC001484455708 927706323 /nfs/dbraw/zinc/70/63/23/927706323.db2.gz AYGOYYVGZPLJJO-DLBZAZTESA-N 1 1 290.451 3.374 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H](C)CC ZINC001484457051 927707335 /nfs/dbraw/zinc/70/73/35/927707335.db2.gz RNXZRUKCWILEDR-GVDBMIGSSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC[N@H+](C)CCCN(C)C(=O)[C@H]1CC=CCC1 ZINC001484732300 927746048 /nfs/dbraw/zinc/74/60/48/927746048.db2.gz OAQPMYYAQWPBLW-INIZCTEOSA-N 1 1 278.440 3.089 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)c1ccsc1C ZINC001484741948 927749443 /nfs/dbraw/zinc/74/94/43/927749443.db2.gz KKRNAEBNIUEFHC-UHFFFAOYSA-N 1 1 280.437 3.027 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001484747878 927752312 /nfs/dbraw/zinc/75/23/12/927752312.db2.gz OBSQOSYENGCFKZ-BBWFWOEESA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@H+](CC(=C)Cl)[C@H](C)C1 ZINC001484976025 927780413 /nfs/dbraw/zinc/78/04/13/927780413.db2.gz KNGHCAPCRKWOIR-KGLIPLIRSA-N 1 1 284.831 3.064 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@@H+](CC(=C)Cl)[C@H](C)C1 ZINC001484976025 927780423 /nfs/dbraw/zinc/78/04/23/927780423.db2.gz KNGHCAPCRKWOIR-KGLIPLIRSA-N 1 1 284.831 3.064 20 30 CGEDMO C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](CC)CCCCC ZINC001485081088 927804595 /nfs/dbraw/zinc/80/45/95/927804595.db2.gz ZUCYBVCHJYLDTB-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@](C)(CC)CCC ZINC001485485865 927881596 /nfs/dbraw/zinc/88/15/96/927881596.db2.gz SPJAJCSALLBGIB-WMZOPIPTSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)C2CCCC2)C(C)(C)C1 ZINC001485559550 927887258 /nfs/dbraw/zinc/88/72/58/927887258.db2.gz YTVXHYAGMDKMGX-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](C)C(C)(C)C)C(C)(C)C1 ZINC001485570740 927888388 /nfs/dbraw/zinc/88/83/88/927888388.db2.gz WJAYKSRXIWGJQQ-UONOGXRCSA-N 1 1 280.456 3.071 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C(C)C)C[C@@H]2C1 ZINC001485659104 927899686 /nfs/dbraw/zinc/89/96/86/927899686.db2.gz YJYQANQREXRNMN-OWCLPIDISA-N 1 1 292.467 3.214 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@]2(NC(=O)C3CC=CC3)CCC[C@H]12 ZINC001486136464 927986526 /nfs/dbraw/zinc/98/65/26/927986526.db2.gz BEJPAMVIKICCSJ-WMZOPIPTSA-N 1 1 288.435 3.032 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)CC(C)C)[C@@H]1C ZINC001486184155 927996075 /nfs/dbraw/zinc/99/60/75/927996075.db2.gz QSXZGQBKNZXIMN-GJZGRUSLSA-N 1 1 280.456 3.214 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CCC[N@H+](CCCC)[C@H]1C ZINC001486177329 927997127 /nfs/dbraw/zinc/99/71/27/927997127.db2.gz PIZOUCSVLWQDAF-LSDHHAIUSA-N 1 1 266.429 3.112 20 30 CGEDMO COc1c[nH+]c(N[C@@H]2CCc3c2cccc3C#N)cc1C ZINC001171064231 928185616 /nfs/dbraw/zinc/18/56/16/928185616.db2.gz ACSLDFPFSRCGSE-OAHLLOKOSA-N 1 1 279.343 3.370 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC(=O)[C@@H]2CCCC[C@@H]21 ZINC001171204393 928199614 /nfs/dbraw/zinc/19/96/14/928199614.db2.gz XAXSNZCMKBSEOD-OLMNPRSZSA-N 1 1 296.414 3.323 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC(=O)[C@@H]2CCCC[C@H]21 ZINC001171204394 928200347 /nfs/dbraw/zinc/20/03/47/928200347.db2.gz XAXSNZCMKBSEOD-ZTFGCOKTSA-N 1 1 296.414 3.323 20 30 CGEDMO CC(C)N1CC[C@H]([NH2+][C@H](C)Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001171204430 928200457 /nfs/dbraw/zinc/20/04/57/928200457.db2.gz XRYMRVIFGLNDRI-MDZRGWNJSA-N 1 1 299.462 3.198 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@](C)(F)C1 ZINC001171208875 928201195 /nfs/dbraw/zinc/20/11/95/928201195.db2.gz GKZHCJNLAHZUMH-XJKSGUPXSA-N 1 1 260.356 3.313 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)c1cc(Cl)cs1)C1CC1 ZINC001317558911 928276447 /nfs/dbraw/zinc/27/64/47/928276447.db2.gz NUXJFRJOWRWJKO-UHFFFAOYSA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(C)CCCC1 ZINC001488645541 928290552 /nfs/dbraw/zinc/29/05/52/928290552.db2.gz RSQSECVOIQMKSM-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)(CC)CC)[C@H]1CC ZINC001489145002 928316989 /nfs/dbraw/zinc/31/69/89/928316989.db2.gz MOEPJQLZBMGUAS-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)CCCNC(=O)C[C@@H]1C=CCCC1 ZINC001490331612 928345664 /nfs/dbraw/zinc/34/56/64/928345664.db2.gz SXXJQLMRPJMEPX-OAHLLOKOSA-N 1 1 298.858 3.314 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)C1(C)CCCC1)C1CC1 ZINC001490381586 928352406 /nfs/dbraw/zinc/35/24/06/928352406.db2.gz YWPMGAVPNCNUMR-UHFFFAOYSA-N 1 1 278.440 3.114 20 30 CGEDMO C#CC[N@@H+](CC)CCCNC(=O)C[C@@H]1CCCCC1(C)C ZINC001490361048 928355406 /nfs/dbraw/zinc/35/54/06/928355406.db2.gz ZWTMEVPKNKHBQW-INIZCTEOSA-N 1 1 292.467 3.054 20 30 CGEDMO CC#CCCCC(=O)N[C@H]1CCC[N@@H+](CCCC(C)C)C1 ZINC001490449483 928359636 /nfs/dbraw/zinc/35/96/36/928359636.db2.gz UOILAZAWRGHDHC-KRWDZBQOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC(=O)N[C@H]1CCC[N@H+](Cc2cccc(C)c2)C1 ZINC001490431205 928363091 /nfs/dbraw/zinc/36/30/91/928363091.db2.gz RWFJDEQBGALCSD-KRWDZBQOSA-N 1 1 286.419 3.042 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C(CCC)CCC)C1 ZINC001490559637 928372590 /nfs/dbraw/zinc/37/25/90/928372590.db2.gz SXHNHQMBMRYALC-INIZCTEOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@H+](CC)CCNC(=O)c1ccsc1C ZINC001492950800 937244358 /nfs/dbraw/zinc/24/43/58/937244358.db2.gz GAXYAYMLWXARIB-UHFFFAOYSA-N 1 1 280.437 3.074 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)C(C)(CC)CC)C1 ZINC001490577157 928376005 /nfs/dbraw/zinc/37/60/05/928376005.db2.gz UFBODWRBMRCJIV-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)C(C)C)C1 ZINC001490758166 928388227 /nfs/dbraw/zinc/38/82/27/928388227.db2.gz FTKRBAKJLFMAEX-INIZCTEOSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)C[C@H](C)CCC)C1 ZINC001317753972 928396834 /nfs/dbraw/zinc/39/68/34/928396834.db2.gz NVVAJTGEWDTJLH-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CCC1 ZINC001490798500 928402646 /nfs/dbraw/zinc/40/26/46/928402646.db2.gz BEUAQFCTLBCLAT-OAGGEKHMSA-N 1 1 290.451 3.207 20 30 CGEDMO C#CC[N@H+](C)C[C@H]1CCN(C(=O)CCCCC(C)(C)C)C1 ZINC001317839240 928404149 /nfs/dbraw/zinc/40/41/49/928404149.db2.gz GYHGCGFSQSXHEH-MRXNPFEDSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(C)C[N@H+](CC)CCNC(=O)c1ccc(CCC)s1 ZINC001492963512 937244199 /nfs/dbraw/zinc/24/41/99/937244199.db2.gz UWDKNZOZASMKFX-UHFFFAOYSA-N 1 1 294.464 3.328 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2cc(C(=O)OC)no2)CCCC1(C)C ZINC001307730195 928514960 /nfs/dbraw/zinc/51/49/60/928514960.db2.gz UYGMHAWUHNLFII-CQSZACIVSA-N 1 1 292.379 3.028 20 30 CGEDMO C=CCCC[N@H+](CC)C[C@@H](O)c1c(F)cccc1F ZINC001460903083 928748852 /nfs/dbraw/zinc/74/88/52/928748852.db2.gz VUFHIXMKAIDZFJ-CQSZACIVSA-N 1 1 269.335 3.286 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](CCCc2ccc(F)c(F)c2)C1 ZINC001462458782 928792950 /nfs/dbraw/zinc/79/29/50/928792950.db2.gz VJAJNSYVOKOEQH-HNNXBMFYSA-N 1 1 264.319 3.133 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)CC2CC(C)(C)C2)C1 ZINC001491119733 928833617 /nfs/dbraw/zinc/83/36/17/928833617.db2.gz HKPXWSHQQMTIMK-OAHLLOKOSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@](C)(C=C)CC ZINC001491224495 928844813 /nfs/dbraw/zinc/84/48/13/928844813.db2.gz ITHMXGCBKRDKKP-RDJZCZTQSA-N 1 1 278.440 3.136 20 30 CGEDMO CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](CCC)C(C)C ZINC001491226829 928848488 /nfs/dbraw/zinc/84/84/88/928848488.db2.gz XIHPNKOPDLAWOG-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CC(CC)CC)C1 ZINC001491294703 928854606 /nfs/dbraw/zinc/85/46/06/928854606.db2.gz GSQMIYSVWDBJNR-RDJZCZTQSA-N 1 1 292.467 3.053 20 30 CGEDMO CCCCCCCC[C@@H](C)C(=O)NC[C@@H]1CC[N@H+]1C ZINC001439522489 937318847 /nfs/dbraw/zinc/31/88/47/937318847.db2.gz CJHZJTCLZAWMFW-CABCVRRESA-N 1 1 268.445 3.193 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNc2cc(F)ccc2C#N)C1 ZINC001458107620 937451412 /nfs/dbraw/zinc/45/14/12/937451412.db2.gz IWTDETMXPDJBIY-OKILXGFUSA-N 1 1 289.398 3.477 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2C[C@@H](C)C[C@H]2CC)cc1 ZINC001459634239 937495055 /nfs/dbraw/zinc/49/50/55/937495055.db2.gz DWRCGLJQWJQKGX-WMLDXEAASA-N 1 1 284.403 3.117 20 30 CGEDMO CC[C@H](c1ccccc1)N1CC[NH+](CCCCC#N)CC1 ZINC001459592379 937492448 /nfs/dbraw/zinc/49/24/48/937492448.db2.gz ZGMKRIXDCUOADV-GOSISDBHSA-N 1 1 285.435 3.449 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](C[C@@H](C)C2CCCCC2)C1 ZINC001459820085 937501547 /nfs/dbraw/zinc/50/15/47/937501547.db2.gz QCXNTIWWFRDGOR-GDBMZVCRSA-N 1 1 251.414 3.480 20 30 CGEDMO CC[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)[C@H]1C ZINC001459984188 937510044 /nfs/dbraw/zinc/51/00/44/937510044.db2.gz MPOXMYFKMYVGLE-GZBFAFLISA-N 1 1 285.391 3.006 20 30 CGEDMO CC#CC[N@@H+]1C[C@H](C)CC[C@@H]1c1ccccc1OC ZINC001460086542 937514570 /nfs/dbraw/zinc/51/45/70/937514570.db2.gz VDRCDTDZPAFYIT-GDBMZVCRSA-N 1 1 257.377 3.492 20 30 CGEDMO Cc1ccccc1CC[N@@H+](C)CCOc1cccc(C#N)c1 ZINC001460155204 937517916 /nfs/dbraw/zinc/51/79/16/937517916.db2.gz YZKFEOHPEBSZRR-UHFFFAOYSA-N 1 1 294.398 3.420 20 30 CGEDMO CC[C@@H]1C[C@H]1C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC001460185638 937519200 /nfs/dbraw/zinc/51/92/00/937519200.db2.gz NAAWBSSHFXKPEB-SJORKVTESA-N 1 1 272.392 3.053 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC001460332590 937527012 /nfs/dbraw/zinc/52/70/12/937527012.db2.gz BBEUZKWCEXDCEH-UHFFFAOYSA-N 1 1 262.397 3.029 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1CCCN1CCCCC1 ZINC001460886794 937549042 /nfs/dbraw/zinc/54/90/42/937549042.db2.gz QDLAFMQZXNGTGQ-INIZCTEOSA-N 1 1 250.430 3.293 20 30 CGEDMO C=CCC[C@H]1CCC[N@H+]1CCCN1CCCCC1 ZINC001460886794 937549045 /nfs/dbraw/zinc/54/90/45/937549045.db2.gz QDLAFMQZXNGTGQ-INIZCTEOSA-N 1 1 250.430 3.293 20 30 CGEDMO N#Cc1ccc(Cl)c(C[NH+]2CC(c3cccnc3)C2)c1 ZINC001140602092 931958657 /nfs/dbraw/zinc/95/86/57/931958657.db2.gz DAIYRRHAONSTDE-UHFFFAOYSA-N 1 1 283.762 3.206 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2CCO ZINC001460913060 937552565 /nfs/dbraw/zinc/55/25/65/937552565.db2.gz RJEFOUKLXTWCOO-ROUUACIJSA-N 1 1 296.499 3.268 20 30 CGEDMO C=C(CC)C[N@H+]1C[C@H](N2CCCC2)C[C@H]1C(C)C ZINC001460938269 937554294 /nfs/dbraw/zinc/55/42/94/937554294.db2.gz RTUSPPKSWNXEFT-CVEARBPZSA-N 1 1 250.430 3.147 20 30 CGEDMO C=C(CC)CN1C[C@H]([NH+]2CCCC2)C[C@H]1C(C)C ZINC001460938269 937554296 /nfs/dbraw/zinc/55/42/96/937554296.db2.gz RTUSPPKSWNXEFT-CVEARBPZSA-N 1 1 250.430 3.147 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)CNC(=O)c1sccc1C(C)C ZINC001329622035 932010285 /nfs/dbraw/zinc/01/02/85/932010285.db2.gz BONPIPNQYRMHQO-LBPRGKRZSA-N 1 1 280.437 3.108 20 30 CGEDMO N#Cc1ccc2ccc(O[C@@H]3CCc4[nH+]ccn4C3)cc2c1 ZINC001228968132 932059783 /nfs/dbraw/zinc/05/97/83/932059783.db2.gz HNSHAORXHXSOLW-QGZVFWFLSA-N 1 1 289.338 3.302 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CNCC[N@H+]1CCCC1(C)C ZINC001461566872 937586617 /nfs/dbraw/zinc/58/66/17/937586617.db2.gz AGXMKVFDINVBOF-UHFFFAOYSA-N 1 1 285.435 3.139 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[NH2+]CCN1CCCC1(C)C ZINC001461566872 937586618 /nfs/dbraw/zinc/58/66/18/937586618.db2.gz AGXMKVFDINVBOF-UHFFFAOYSA-N 1 1 285.435 3.139 20 30 CGEDMO N#Cc1csc(C[NH2+]C/C=C/c2ccc(F)cc2F)n1 ZINC001461781749 937597147 /nfs/dbraw/zinc/59/71/47/937597147.db2.gz DPVOMDDJXARSCQ-OWOJBTEDSA-N 1 1 291.326 3.096 20 30 CGEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CCc2ccccc2C1 ZINC001461839196 937601249 /nfs/dbraw/zinc/60/12/49/937601249.db2.gz SUWQEYABQSEZLB-UHFFFAOYSA-N 1 1 291.398 3.183 20 30 CGEDMO Cc1cc(C(C)C)ccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001230210629 932540703 /nfs/dbraw/zinc/54/07/03/932540703.db2.gz IUDCKYFOIDFLCB-XHSLCFAUSA-N 1 1 287.403 3.110 20 30 CGEDMO Cc1cc(C(C)C)ccc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001230210629 932540712 /nfs/dbraw/zinc/54/07/12/932540712.db2.gz IUDCKYFOIDFLCB-XHSLCFAUSA-N 1 1 287.403 3.110 20 30 CGEDMO C#CC[N@H+](CC)Cc1cn(CC)nc1-c1ccccc1 ZINC001461985260 937610741 /nfs/dbraw/zinc/61/07/41/937610741.db2.gz DZWYJQIKTGIYFE-UHFFFAOYSA-N 1 1 267.376 3.025 20 30 CGEDMO C=C[C@@H](Oc1ccc2[nH+]c(N)[nH]c2c1)c1ccccc1 ZINC001230518341 932583084 /nfs/dbraw/zinc/58/30/84/932583084.db2.gz PLVAFMSOOATLJD-OAHLLOKOSA-N 1 1 265.316 3.451 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)Cc1cccc(C#N)n1 ZINC001462036368 937614101 /nfs/dbraw/zinc/61/41/01/937614101.db2.gz VLSKBNHNAKMZHX-UHFFFAOYSA-N 1 1 269.373 3.203 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)Cc1cccc(C#N)n1 ZINC001462036368 937614102 /nfs/dbraw/zinc/61/41/02/937614102.db2.gz VLSKBNHNAKMZHX-UHFFFAOYSA-N 1 1 269.373 3.203 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCCC ZINC001230776493 932623465 /nfs/dbraw/zinc/62/34/65/932623465.db2.gz SWSJWYRITKHZMA-HZPDHXFCSA-N 1 1 280.456 3.454 20 30 CGEDMO C=CC(C)(C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC/C=C/CCC ZINC001316602119 932744353 /nfs/dbraw/zinc/74/43/53/932744353.db2.gz SNEBHQFWSYWWEC-SCOAYWHSSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C[C@H](C(=O)N(C)C[C@@H]1CC[N@H+]1CC(=C)C)c1ccccc1 ZINC001316608215 932748471 /nfs/dbraw/zinc/74/84/71/932748471.db2.gz FWWAZUXJZIMVRO-ROUUACIJSA-N 1 1 298.430 3.065 20 30 CGEDMO C=C[C@H](CC)CC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC001332867022 932754965 /nfs/dbraw/zinc/75/49/65/932754965.db2.gz PLFRQCAMIWORNL-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCC(=O)NCC[N@H+](C)Cc1ccccc1C(C)C ZINC001492214661 932810679 /nfs/dbraw/zinc/81/06/79/932810679.db2.gz ZRLGSSBKBFFTMH-UHFFFAOYSA-N 1 1 288.435 3.324 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C=C2CCC2)C1 ZINC001317200115 932819042 /nfs/dbraw/zinc/81/90/42/932819042.db2.gz IIRDSBWXESLVST-ZFWWWQNUSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC[C@@H]([N@H+](C)CC(=C)Cl)C1 ZINC001317379738 932860712 /nfs/dbraw/zinc/86/07/12/932860712.db2.gz QQCXKUATOPNEFW-LSDHHAIUSA-N 1 1 298.858 3.264 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC[C@@H]([N@@H+](C)CC(=C)Cl)C1 ZINC001317379738 932860716 /nfs/dbraw/zinc/86/07/16/932860716.db2.gz QQCXKUATOPNEFW-LSDHHAIUSA-N 1 1 298.858 3.264 20 30 CGEDMO C=CCC[N@@H+](C)CCCNC(=O)c1ccc(Cl)cc1C ZINC001316845694 932867255 /nfs/dbraw/zinc/86/72/55/932867255.db2.gz NNEQQWCOKFTYAO-UHFFFAOYSA-N 1 1 294.826 3.276 20 30 CGEDMO C[N@H+]1C[C@@]23CN(c4cc(F)ccc4C#N)C[C@]2(C1)CCCC3 ZINC001307234902 932932518 /nfs/dbraw/zinc/93/25/18/932932518.db2.gz QYXIXICIXNZKKU-HDICACEKSA-N 1 1 299.393 3.010 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC001307421664 932949792 /nfs/dbraw/zinc/94/97/92/932949792.db2.gz AUCJTLKFZHBKBM-KRWDZBQOSA-N 1 1 292.386 3.036 20 30 CGEDMO C[N@@H+](C[C@H](O)c1cccc(C#N)c1)[C@H]1CCC(C)(C)C1 ZINC001307739223 932994316 /nfs/dbraw/zinc/99/43/16/932994316.db2.gz WULUNQJYBAYEQC-HOTGVXAUSA-N 1 1 272.392 3.102 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1CC1CCCC1 ZINC001307888001 933015405 /nfs/dbraw/zinc/01/54/05/933015405.db2.gz XSKVGACQYAFBGE-HZPDHXFCSA-N 1 1 251.414 3.358 20 30 CGEDMO C[N@H+](CCN1CCCc2ccccc21)[C@@H]1CCC[C@@H]1C#N ZINC001307992026 933031383 /nfs/dbraw/zinc/03/13/83/933031383.db2.gz BNGLKNMHVPEZKD-IAGOWNOFSA-N 1 1 283.419 3.063 20 30 CGEDMO C[N@@H+](CCN1CCCc2ccccc21)[C@@H]1CCC[C@@H]1C#N ZINC001307992026 933031387 /nfs/dbraw/zinc/03/13/87/933031387.db2.gz BNGLKNMHVPEZKD-IAGOWNOFSA-N 1 1 283.419 3.063 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001308124758 933052642 /nfs/dbraw/zinc/05/26/42/933052642.db2.gz PVDVXFNIBFICSN-QLFBSQMISA-N 1 1 296.455 3.434 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC001308134895 933055043 /nfs/dbraw/zinc/05/50/43/933055043.db2.gz UBMHSLPCMUQYDM-CQSZACIVSA-N 1 1 285.391 3.173 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1C[C@H](O)Cc1ccccc1C(F)(F)F ZINC001308143388 933056764 /nfs/dbraw/zinc/05/67/64/933056764.db2.gz ZOEZBNDBKWBSMN-ZIAGYGMSSA-N 1 1 299.336 3.259 20 30 CGEDMO C#C[C@H]1CCCC[N@H+]1Cc1ccc2ncccc2c1 ZINC001308143827 933057380 /nfs/dbraw/zinc/05/73/80/933057380.db2.gz WDZIQTUXIRBTMM-INIZCTEOSA-N 1 1 250.345 3.223 20 30 CGEDMO Cc1oc(-c2cccs2)nc1C[NH2+]CC1(CC#N)CC1 ZINC001308390679 933105470 /nfs/dbraw/zinc/10/54/70/933105470.db2.gz LLCLROJQOJORMN-UHFFFAOYSA-N 1 1 287.388 3.495 20 30 CGEDMO C=CCC[C@H]([NH2+][C@@H]1CCCC(C)(C)C1)C(=O)OCC ZINC001308769130 933173340 /nfs/dbraw/zinc/17/33/40/933173340.db2.gz FYOUZBMLBYCAHZ-KGLIPLIRSA-N 1 1 267.413 3.443 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001308828175 933185559 /nfs/dbraw/zinc/18/55/59/933185559.db2.gz MCAZAQUHCMZBFY-UHOSZYNNSA-N 1 1 297.446 3.133 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cc(C(=O)OC)c(CC)o2)C1 ZINC001308854247 933190450 /nfs/dbraw/zinc/19/04/50/933190450.db2.gz CVATUJULDSQMHG-CYBMUJFWSA-N 1 1 291.391 3.417 20 30 CGEDMO C=C(C)C[C@H]([NH2+]C[C@@H]1C(C)=CCC[C@@H]1C)C(=O)OC ZINC001308903417 933200529 /nfs/dbraw/zinc/20/05/29/933200529.db2.gz XJVALGHSFOUITQ-ZNMIVQPWSA-N 1 1 265.397 3.076 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)/C=C(/C)C1CC1 ZINC001317495675 933265214 /nfs/dbraw/zinc/26/52/14/933265214.db2.gz AFVRUXXUAYBXHT-KTWGLELUSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H]1CNC(=O)C1CC(C)C1 ZINC001317498835 933282403 /nfs/dbraw/zinc/28/24/03/933282403.db2.gz YNIQFXWSGMDQFB-JCYILVPMSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCCCCNC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC001311401441 933294064 /nfs/dbraw/zinc/29/40/64/933294064.db2.gz RBWWMCIKEPMPRO-MRXNPFEDSA-N 1 1 295.471 3.154 20 30 CGEDMO CCCCCCCCNC(=O)NCC[N@H+]1CCC[C@H]1C ZINC001312312125 933351757 /nfs/dbraw/zinc/35/17/57/933351757.db2.gz ZAGIDGZXPLEJTI-OAHLLOKOSA-N 1 1 283.460 3.130 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](CNC(=O)CC(C)C)C1 ZINC001317134068 933473947 /nfs/dbraw/zinc/47/39/47/933473947.db2.gz SNMIQQYZOGFDJC-JKSUJKDBSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)c1sccc1F ZINC001316822846 933475036 /nfs/dbraw/zinc/47/50/36/933475036.db2.gz SEPPPZDGQFHWBM-LBPRGKRZSA-N 1 1 298.427 3.294 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCCC[N@H+](C)C[C@H](C)CC ZINC001316840569 933487671 /nfs/dbraw/zinc/48/76/71/933487671.db2.gz SGCKGPYYBPMWSH-CQSZACIVSA-N 1 1 268.445 3.073 20 30 CGEDMO C=CC[N@@H+](CCCNC(=O)C1CCCCCC1)C1CC1 ZINC001316910892 933495586 /nfs/dbraw/zinc/49/55/86/933495586.db2.gz CDQZAEHLGYJXTF-UHFFFAOYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@H+](C[C@H](C)CC)C1 ZINC001316943905 933499028 /nfs/dbraw/zinc/49/90/28/933499028.db2.gz IUKLPZIBMKKAKG-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@@H+](CCCCCF)C1 ZINC001316945418 933500442 /nfs/dbraw/zinc/50/04/42/933500442.db2.gz REUGGKAEBBRVAE-OAHLLOKOSA-N 1 1 298.446 3.309 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)CC(C)C)C1 ZINC001316938734 933500721 /nfs/dbraw/zinc/50/07/21/933500721.db2.gz XVMIWIYPYIPQAD-INIZCTEOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@H+](Cc2cc(C)sc2C)C1 ZINC001316973950 933502584 /nfs/dbraw/zinc/50/25/84/933502584.db2.gz LJCIYPABYQJZCE-HNNXBMFYSA-N 1 1 292.448 3.022 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C2(CCC)CCC2)C1 ZINC001316987301 933504494 /nfs/dbraw/zinc/50/44/94/933504494.db2.gz WMDDZBJAAXXHLS-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2ccoc2CC)C1 ZINC001316974943 933505809 /nfs/dbraw/zinc/50/58/09/933505809.db2.gz ACXXOODLSCRSKM-KGLIPLIRSA-N 1 1 290.407 3.001 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](NC(=O)c2cc(C)co2)C1 ZINC001316985681 933506000 /nfs/dbraw/zinc/50/60/00/933506000.db2.gz MDSYSQDOLZVYLA-OAHLLOKOSA-N 1 1 292.423 3.363 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2cc(C)c(C)o2)C1 ZINC001316974389 933506761 /nfs/dbraw/zinc/50/67/61/933506761.db2.gz BFFGOFPWFKLOMT-UKRRQHHQSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@](C)(CC)CCC)C1 ZINC001317143206 933539398 /nfs/dbraw/zinc/53/93/98/933539398.db2.gz LHJPXGUHLHQSDZ-NVXWUHKLSA-N 1 1 280.456 3.217 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(CC)CC)C1 ZINC001317204296 933553813 /nfs/dbraw/zinc/55/38/13/933553813.db2.gz MFLHMAILDZULBD-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)C[C@H](C)SC)C1 ZINC001317374098 933578504 /nfs/dbraw/zinc/57/85/04/933578504.db2.gz SYGBWEGHJPYBPO-GJZGRUSLSA-N 1 1 298.496 3.017 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H]1CCCNC(=O)c1ccsc1 ZINC001317420834 933591789 /nfs/dbraw/zinc/59/17/89/933591789.db2.gz SHQCTVYEAFIQLQ-OAHLLOKOSA-N 1 1 292.448 3.299 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001317445692 933594405 /nfs/dbraw/zinc/59/44/05/933594405.db2.gz FHSQSGIHLSIYLD-HRCADAONSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)c1cccc2cc[nH]c21 ZINC001317486870 933601819 /nfs/dbraw/zinc/60/18/19/933601819.db2.gz IHIVNSYNVXDUGG-UHFFFAOYSA-N 1 1 299.418 3.186 20 30 CGEDMO C=C1CC(C)(C(=O)NCC[N@H+](CC)CC2=CCCCC2)C1 ZINC001317486265 933603432 /nfs/dbraw/zinc/60/34/32/933603432.db2.gz PEMVLFMTKBMIQH-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)C1CCCC1 ZINC001317508474 933606107 /nfs/dbraw/zinc/60/61/07/933606107.db2.gz LCKSHCROJLEHEW-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)CC ZINC001317506760 933607256 /nfs/dbraw/zinc/60/72/56/933607256.db2.gz FFSPSJHFAZDDIX-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1CCC[N@@H+]1CC1CC(C)C1 ZINC001317506121 933607286 /nfs/dbraw/zinc/60/72/86/933607286.db2.gz RAYQMADDDFITBT-UYSNPLJNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](CNC(=O)C2CC(C)(C)C2)C1 ZINC001317519846 933609811 /nfs/dbraw/zinc/60/98/11/933609811.db2.gz VLQAWHCGSMEYAJ-HUUCEWRRSA-N 1 1 292.467 3.215 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)CCCCC)C1 ZINC001317535938 933612031 /nfs/dbraw/zinc/61/20/31/933612031.db2.gz LCDWBLLKHNSRNP-INIZCTEOSA-N 1 1 292.467 3.054 20 30 CGEDMO C#CCC[N@H+](CCNC(=O)C[C@H](C)CC(C)(C)C)C1CC1 ZINC001317557830 933620154 /nfs/dbraw/zinc/62/01/54/933620154.db2.gz AMLZCDRLTSQWCU-HNNXBMFYSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@H+](CCNC(=O)[C@H](C)[C@H](C)C(C)(C)C)C1CC1 ZINC001317557654 933621040 /nfs/dbraw/zinc/62/10/40/933621040.db2.gz GMTQCSZBKZJHQD-CABCVRRESA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)c1c(C)coc1C)C(C)C ZINC001317688039 933631942 /nfs/dbraw/zinc/63/19/42/933631942.db2.gz VASLNJBAJJZGDJ-UHFFFAOYSA-N 1 1 292.423 3.303 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)C1=CCCCCC1)C(C)C ZINC001317681956 933632384 /nfs/dbraw/zinc/63/23/84/933632384.db2.gz OUYAAYXCCDZAPK-UHFFFAOYSA-N 1 1 278.440 3.280 20 30 CGEDMO C#CC[N@H+](CCCNC(=O)C1(C)CCC(C)CC1)C(C)C ZINC001317711169 933636194 /nfs/dbraw/zinc/63/61/94/933636194.db2.gz JIMUQKQCGYPAGE-UHFFFAOYSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC ZINC001317740811 933640922 /nfs/dbraw/zinc/64/09/22/933640922.db2.gz QYPSKQPGLMEDNP-OAGGEKHMSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)CCC2(C)CC2)C1 ZINC001317856705 933658578 /nfs/dbraw/zinc/65/85/78/933658578.db2.gz JCHXFPGFNPPBFF-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)C2(CCC)CC2)C1 ZINC001317853713 933658751 /nfs/dbraw/zinc/65/87/51/933658751.db2.gz LUIOEUOQFGFFAX-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC(CC=C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCCC ZINC001318202026 933694691 /nfs/dbraw/zinc/69/46/91/933694691.db2.gz XVQLYCAFTVUDEW-IRXDYDNUSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001318358356 933714031 /nfs/dbraw/zinc/71/40/31/933714031.db2.gz SYPYYYYHHQKSSJ-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)/C=C\C(C)(C)C)C1 ZINC001318456428 933729956 /nfs/dbraw/zinc/72/99/56/933729956.db2.gz BJXYSEVNGYWPJR-KLQCNHIUSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC1(C(=O)N(C)[C@@H]2CC[N@H+](CCC)C2)CCCC1 ZINC001318454853 933730209 /nfs/dbraw/zinc/73/02/09/933730209.db2.gz XIOUHGBSFFVIOO-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(CC)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](CC)C1 ZINC001466752569 937712314 /nfs/dbraw/zinc/71/23/14/937712314.db2.gz GYVSVBFJOSXVLJ-QGZVFWFLSA-N 1 1 286.419 3.076 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)CC1(C)CCCCC1 ZINC001467727338 937721544 /nfs/dbraw/zinc/72/15/44/937721544.db2.gz DZQQDPXHESUHJL-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1C(C)(C)C#N)CC1CC1 ZINC001319446327 933876638 /nfs/dbraw/zinc/87/66/38/933876638.db2.gz NRJLTAWATFURFP-UHFFFAOYSA-N 1 1 266.388 3.333 20 30 CGEDMO C#CC[N@@H+](Cc1nc2ccccc2n1C(F)F)CC1CC1 ZINC001319458021 933878913 /nfs/dbraw/zinc/87/89/13/933878913.db2.gz GKLLVTXAVCSZHO-UHFFFAOYSA-N 1 1 289.329 3.277 20 30 CGEDMO C#CC[N@H+](Cc1nc2ccccc2n1C(F)F)CC1CC1 ZINC001319458021 933878918 /nfs/dbraw/zinc/87/89/18/933878918.db2.gz GKLLVTXAVCSZHO-UHFFFAOYSA-N 1 1 289.329 3.277 20 30 CGEDMO C#CCOCC[N@@H+](C)CCCc1cccc2ccccc21 ZINC001319553073 933891737 /nfs/dbraw/zinc/89/17/37/933891737.db2.gz IWWIJFPPQUHDOD-UHFFFAOYSA-N 1 1 281.399 3.354 20 30 CGEDMO C=CCOc1cccc(CN[C@@H]2CCCC[C@H]2[NH+](C)C)c1 ZINC001319833018 933940372 /nfs/dbraw/zinc/94/03/72/933940372.db2.gz GZFAEYHOVAYLBE-QZTJIDSGSA-N 1 1 288.435 3.214 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)c1sccc1F ZINC001319993412 933974242 /nfs/dbraw/zinc/97/42/42/933974242.db2.gz AKDFBLZNQKNZIM-GFCCVEGCSA-N 1 1 298.427 3.246 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@H]1CCC(C)=C(C)C1 ZINC001319998767 933975580 /nfs/dbraw/zinc/97/55/80/933975580.db2.gz BYSILBAUDLNUBR-KRWDZBQOSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001320029320 933983970 /nfs/dbraw/zinc/98/39/70/933983970.db2.gz WSEANILZZONSBI-YESZJQIVSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)c1ccc(C)c(Cl)c1 ZINC001320043723 933985191 /nfs/dbraw/zinc/98/51/91/933985191.db2.gz XRDSICIPFJTFBL-UHFFFAOYSA-N 1 1 294.826 3.228 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N(C)CC[N@@H+](C)CC1CC(C)C1 ZINC001320041679 933986331 /nfs/dbraw/zinc/98/63/31/933986331.db2.gz FIPYYWKJGJTMCF-VMBOVVBDSA-N 1 1 280.456 3.025 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)/C(C)=C/CC)CC[C@@H]21 ZINC001320097476 933999791 /nfs/dbraw/zinc/99/97/91/933999791.db2.gz MJEZQARHEYBTOV-HHHZRULFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC001320209500 934017772 /nfs/dbraw/zinc/01/77/72/934017772.db2.gz VRNUARDAWLZZNQ-LBPRGKRZSA-N 1 1 269.747 3.256 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC001320209500 934017779 /nfs/dbraw/zinc/01/77/79/934017779.db2.gz VRNUARDAWLZZNQ-LBPRGKRZSA-N 1 1 269.747 3.256 20 30 CGEDMO CCCCCCCCNC(=O)N(CC)[C@H]1CC[N@@H+](CC)C1 ZINC001469427371 937739245 /nfs/dbraw/zinc/73/92/45/937739245.db2.gz SYJAXNJLBRWIDX-INIZCTEOSA-N 1 1 297.487 3.473 20 30 CGEDMO C#CC[N@@H+](Cc1cc(Cl)ccc1F)CC1CC1 ZINC001320522164 934058555 /nfs/dbraw/zinc/05/85/55/934058555.db2.gz HANFJEOIMNJQSU-UHFFFAOYSA-N 1 1 251.732 3.324 20 30 CGEDMO C#CC[N@H+](Cc1cc(Cl)ccc1F)CC1CC1 ZINC001320522164 934058560 /nfs/dbraw/zinc/05/85/60/934058560.db2.gz HANFJEOIMNJQSU-UHFFFAOYSA-N 1 1 251.732 3.324 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(C#N)cc1Cl)CC1CC1 ZINC001320587352 934071176 /nfs/dbraw/zinc/07/11/76/934071176.db2.gz DGDJWCPJSVAIPL-UHFFFAOYSA-N 1 1 258.752 3.057 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C#N)cc1Cl)CC1CC1 ZINC001320587352 934071185 /nfs/dbraw/zinc/07/11/85/934071185.db2.gz DGDJWCPJSVAIPL-UHFFFAOYSA-N 1 1 258.752 3.057 20 30 CGEDMO C=CC[C@H]([NH2+][C@H]1CCC[C@H](C2CC2)C1)C(=O)OCC ZINC001321148099 934156832 /nfs/dbraw/zinc/15/68/32/934156832.db2.gz IRYKXEZBWAUWIA-KKUMJFAQSA-N 1 1 265.397 3.053 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001321515926 934191697 /nfs/dbraw/zinc/19/16/97/934191697.db2.gz SRLPFRYYGYHWRY-BBWFWOEESA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]1CNC(=O)C=C1CCCCC1 ZINC001323194155 934373641 /nfs/dbraw/zinc/37/36/41/934373641.db2.gz PGDKBETXZTVFQW-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H]1CC[N@@H+]1Cc1csc(C)c1 ZINC001323243840 934376187 /nfs/dbraw/zinc/37/61/87/934376187.db2.gz TXTPBHCMFKWIFE-OAHLLOKOSA-N 1 1 292.448 3.103 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H]1CC[N@H+]1Cc1csc(C)c1 ZINC001323243840 934376195 /nfs/dbraw/zinc/37/61/95/934376195.db2.gz TXTPBHCMFKWIFE-OAHLLOKOSA-N 1 1 292.448 3.103 20 30 CGEDMO CN(C)c1ncccc1C=[NH+]Nc1ccc(Cl)cc1 ZINC001323609096 934411692 /nfs/dbraw/zinc/41/16/92/934411692.db2.gz HZZVGGPLYYMGNH-UHFFFAOYSA-N 1 1 274.755 3.247 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C)CCCC)C2)C1 ZINC001323846239 934430668 /nfs/dbraw/zinc/43/06/68/934430668.db2.gz HYDPRYDPFPWMFN-WMZOPIPTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@](C)(F)CCCC)C2)C1 ZINC001323857550 934433393 /nfs/dbraw/zinc/43/33/93/934433393.db2.gz JJQXEMCTYFYTOT-IRXDYDNUSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N(C)C1C[NH+](CC/C=C\CC)C1 ZINC001323970476 934443874 /nfs/dbraw/zinc/44/38/74/934443874.db2.gz VHBJMEHWNRKKFM-CDNLZTBQSA-N 1 1 278.440 3.088 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C(C)C)nc1C)CC1CC1 ZINC001324213624 934472980 /nfs/dbraw/zinc/47/29/80/934472980.db2.gz OIBLTFQAPQKSIO-UHFFFAOYSA-N 1 1 256.393 3.359 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@H](C)C(C)C)CC1 ZINC001324333964 934487467 /nfs/dbraw/zinc/48/74/67/934487467.db2.gz GYOKKGZSBILWHH-CYBMUJFWSA-N 1 1 286.847 3.002 20 30 CGEDMO C[C@@H]1C[C@H]([NH2+]C2CC(C#N)(c3ccccc3)C2)c2nccn21 ZINC001324543984 934521435 /nfs/dbraw/zinc/52/14/35/934521435.db2.gz XBSCUMJWWSCIPW-REUGXJQISA-N 1 1 292.386 3.102 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](CC)CC2CCCC2)C1 ZINC001324656970 934542598 /nfs/dbraw/zinc/54/25/98/934542598.db2.gz OXYQPKAUNBYVRE-WMZOPIPTSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCC[N@@H+]1CC[C@](C)(NC(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001324662863 934544951 /nfs/dbraw/zinc/54/49/51/934544951.db2.gz WXLCHVUNFLBDKJ-QAPCUYQASA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@@H+](CC1CCCCC1)[C@@H]1CCN(C2CCC2)C1=O ZINC001473162093 937795253 /nfs/dbraw/zinc/79/52/53/937795253.db2.gz BRWRYVZSZSEVFD-QGZVFWFLSA-N 1 1 290.451 3.208 20 30 CGEDMO CCC[C@]1(C)CCC[N@@H+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001473192741 937796783 /nfs/dbraw/zinc/79/67/83/937796783.db2.gz OFJLPXYRTDIGHI-QZTJIDSGSA-N 1 1 286.419 3.494 20 30 CGEDMO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@@](C)(CCc2ccccc2)C1 ZINC001473213028 937797758 /nfs/dbraw/zinc/79/77/58/937797758.db2.gz PYIJOOJSKGFSIA-FUHWJXTLSA-N 1 1 287.403 3.059 20 30 CGEDMO C=C[C@@H](C(=O)OC)[N@H+]1CC[C@@](C)(CCc2ccccc2)C1 ZINC001473213028 937797760 /nfs/dbraw/zinc/79/77/60/937797760.db2.gz PYIJOOJSKGFSIA-FUHWJXTLSA-N 1 1 287.403 3.059 20 30 CGEDMO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@](C)(CCc2ccccc2)C1 ZINC001473213029 937797812 /nfs/dbraw/zinc/79/78/12/937797812.db2.gz PYIJOOJSKGFSIA-SJLPKXTDSA-N 1 1 287.403 3.059 20 30 CGEDMO C=C[C@H](C(=O)OC)[N@H+]1CC[C@@](C)(CCc2ccccc2)C1 ZINC001473213029 937797813 /nfs/dbraw/zinc/79/78/13/937797813.db2.gz PYIJOOJSKGFSIA-SJLPKXTDSA-N 1 1 287.403 3.059 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)C[C@@H]1CCCC(C)(C)O1 ZINC001473453510 937807844 /nfs/dbraw/zinc/80/78/44/937807844.db2.gz GFEIZJBCZKUUDF-KRWDZBQOSA-N 1 1 271.404 3.470 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@](C)(CNC(=O)C=C2CCC2)C1 ZINC001324929850 934873621 /nfs/dbraw/zinc/87/36/21/934873621.db2.gz XABCTPYSPZRKHK-GOSISDBHSA-N 1 1 290.451 3.281 20 30 CGEDMO C=C(C)CCC(=O)NC[C@]1(C)CCC[N@@H+](CC2CCC2)C1 ZINC001324936999 934873766 /nfs/dbraw/zinc/87/37/66/934873766.db2.gz RJUPBEPPEBEBAY-SFHVURJKSA-N 1 1 292.467 3.361 20 30 CGEDMO Cc1cccc(NC[C@@H]2CCC[N@H+]2CCC(C)(C)C#N)n1 ZINC001324939941 934875780 /nfs/dbraw/zinc/87/57/80/934875780.db2.gz BNSOIHKQHZXRCO-HNNXBMFYSA-N 1 1 286.423 3.206 20 30 CGEDMO C[C@@H](CNc1cccc(CC#N)n1)[N@@H+](C)Cc1ccccc1 ZINC001325709787 934923507 /nfs/dbraw/zinc/92/35/07/934923507.db2.gz GNHMYXBIOARCFJ-HNNXBMFYSA-N 1 1 294.402 3.080 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC(CC)CC ZINC001325917430 934938867 /nfs/dbraw/zinc/93/88/67/934938867.db2.gz BOWKVWDQGLOFJT-IRXDYDNUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC(C)C ZINC001325920755 934939223 /nfs/dbraw/zinc/93/92/23/934939223.db2.gz MGSRJUGWTBBXII-HOTGVXAUSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)CC[C@@H](C)CC)[C@@H]2C1 ZINC001325954334 934941335 /nfs/dbraw/zinc/94/13/35/934941335.db2.gz AXZXIJNWJVIVKS-YESZJQIVSA-N 1 1 292.467 3.312 20 30 CGEDMO CCCCCCC[N@@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC001473652305 937816056 /nfs/dbraw/zinc/81/60/56/937816056.db2.gz FRZGJLLDPCTNJM-UHFFFAOYSA-N 1 1 274.408 3.435 20 30 CGEDMO CCCCCCC[N@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC001473652305 937816058 /nfs/dbraw/zinc/81/60/58/937816058.db2.gz FRZGJLLDPCTNJM-UHFFFAOYSA-N 1 1 274.408 3.435 20 30 CGEDMO C[N@H+](CCOC1CCCCCC1)[C@H]1CCC[C@H]1C#N ZINC001473707467 937816851 /nfs/dbraw/zinc/81/68/51/937816851.db2.gz QWYKFPNXSGOINX-HOCLYGCPSA-N 1 1 264.413 3.350 20 30 CGEDMO C[N@@H+](CCOC1CCCCCC1)[C@H]1CCC[C@H]1C#N ZINC001473707467 937816853 /nfs/dbraw/zinc/81/68/53/937816853.db2.gz QWYKFPNXSGOINX-HOCLYGCPSA-N 1 1 264.413 3.350 20 30 CGEDMO CC[N@@H+](Cc1cn2ccccc2c1C#N)C(C)(C)C ZINC001326515467 934986383 /nfs/dbraw/zinc/98/63/83/934986383.db2.gz BAKPHNZVRWOEOZ-UHFFFAOYSA-N 1 1 255.365 3.431 20 30 CGEDMO CCCCCCCCC[N@H+]1CCO[C@](C)(COC)C1 ZINC001473690927 937817350 /nfs/dbraw/zinc/81/73/50/937817350.db2.gz PLXJSQDDKFMTMZ-INIZCTEOSA-N 1 1 271.445 3.474 20 30 CGEDMO C=CC[C@@H]1CCCN(c2cc[nH+]cc2C(=O)OCC)C1 ZINC001327692458 935078484 /nfs/dbraw/zinc/07/84/84/935078484.db2.gz OTBGXTBPWJLESS-CYBMUJFWSA-N 1 1 274.364 3.051 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc(OCC)cc2C)C1 ZINC001327878171 935093623 /nfs/dbraw/zinc/09/36/23/935093623.db2.gz JVIKJUSYLVEVKI-QGZVFWFLSA-N 1 1 275.392 3.171 20 30 CGEDMO C#CC[N@H+](Cc1cc(Cl)c(O)c(OCC)c1)CC1CC1 ZINC001328216559 935124596 /nfs/dbraw/zinc/12/45/96/935124596.db2.gz WSJPUDKDSPWWKW-UHFFFAOYSA-N 1 1 293.794 3.290 20 30 CGEDMO C=CCN(C(=O)C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC001328302758 935128964 /nfs/dbraw/zinc/12/89/64/935128964.db2.gz MVHFDKPAGUWUIX-UHFFFAOYSA-N 1 1 294.398 3.338 20 30 CGEDMO C=CCN(C(=O)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC001328302758 935128966 /nfs/dbraw/zinc/12/89/66/935128966.db2.gz MVHFDKPAGUWUIX-UHFFFAOYSA-N 1 1 294.398 3.338 20 30 CGEDMO C=C(C)CC[N@H+](CC)CC1CCN(C(=O)CCC)CC1 ZINC001328568611 935148106 /nfs/dbraw/zinc/14/81/06/935148106.db2.gz YBGSHTZBAMTHHZ-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCCC[N@H+](CC)CC1CCN(C(=O)/C(C)=C\C)CC1 ZINC001328575668 935149230 /nfs/dbraw/zinc/14/92/30/935149230.db2.gz XXIDHFNDEQYEQV-SOFYXZRVSA-N 1 1 292.467 3.479 20 30 CGEDMO CC(C)[N@@H+](CCc1ccccc1)Cc1nc(C#N)cs1 ZINC001328727356 935163439 /nfs/dbraw/zinc/16/34/39/935163439.db2.gz CLQQHPSKBLZPRA-UHFFFAOYSA-N 1 1 285.416 3.468 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)CCCC1CC1 ZINC001328753324 935166272 /nfs/dbraw/zinc/16/62/72/935166272.db2.gz QXCLLFYDBIZARO-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)CCCC(C)C ZINC001328764509 935167936 /nfs/dbraw/zinc/16/79/36/935167936.db2.gz BJFVPBHXZWWROB-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)C[C@@H](CC)C(C)C ZINC001328787644 935168764 /nfs/dbraw/zinc/16/87/64/935168764.db2.gz WUOAIKPOXCIXMI-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1sccc1F ZINC001329432102 935216198 /nfs/dbraw/zinc/21/61/98/935216198.db2.gz RRJFDMKVLDAHEX-NEPJUHHUSA-N 1 1 298.427 3.292 20 30 CGEDMO N#CCOc1cccc(C[NH2+][C@@H]2CCCc3scnc32)c1 ZINC001329746513 935243110 /nfs/dbraw/zinc/24/31/10/935243110.db2.gz VONXMAWFPOYUAD-CQSZACIVSA-N 1 1 299.399 3.213 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H]1C[N@@H+](CCC2CC2)CC1(C)C ZINC001330231009 935278793 /nfs/dbraw/zinc/27/87/93/935278793.db2.gz VAKNDUKMMFBENK-MAUKXSAKSA-N 1 1 292.467 3.215 20 30 CGEDMO CC(=O)c1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC001330564727 935297314 /nfs/dbraw/zinc/29/73/14/935297314.db2.gz HVXHZXMNRMHNOX-CQSZACIVSA-N 1 1 256.349 3.015 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC([N@@H+](C)C/C=C\Cl)CC2)C1 ZINC001331053729 935346482 /nfs/dbraw/zinc/34/64/82/935346482.db2.gz LWIZJYIYUFTYJD-DAXSKMNVSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CCC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001331432018 935378757 /nfs/dbraw/zinc/37/87/57/935378757.db2.gz GJEZBOQEZAKWHG-AWEZNQCLSA-N 1 1 294.439 3.141 20 30 CGEDMO N#CC1(C[NH2+][C@@H]2CCc3nc(Cl)ccc32)CCCC1 ZINC001331983489 935430295 /nfs/dbraw/zinc/43/02/95/935430295.db2.gz GWFSIYNOFNEDAK-GFCCVEGCSA-N 1 1 275.783 3.396 20 30 CGEDMO C=CCCCC(=O)N[C@]12CCC[C@H]1[N@@H+](CCCC=C)CC2 ZINC001332110306 935440251 /nfs/dbraw/zinc/44/02/51/935440251.db2.gz IMLGWXTVFPXSDC-AEFFLSMTSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2)[C@H]1C ZINC001332162904 935445415 /nfs/dbraw/zinc/44/54/15/935445415.db2.gz YQSYFZAMVUHBFI-NVXWUHKLSA-N 1 1 286.419 3.236 20 30 CGEDMO C=CCCCCC[N@@H+]1CC=C(CNC(=O)C(C)(C)F)CC1 ZINC001333278827 935522134 /nfs/dbraw/zinc/52/21/34/935522134.db2.gz JYFRGQYOCLHOFC-UHFFFAOYSA-N 1 1 296.430 3.229 20 30 CGEDMO COC(=O)[C@@H](C)[N@@H+](CCCCC1(C#N)CCC1)C1CCC1 ZINC001333461082 935536463 /nfs/dbraw/zinc/53/64/63/935536463.db2.gz KNMMUHCPZNIDIG-CQSZACIVSA-N 1 1 292.423 3.267 20 30 CGEDMO C#CCOCC[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC001333571608 935547989 /nfs/dbraw/zinc/54/79/89/935547989.db2.gz JMRCYDYBZSRWGO-OAHLLOKOSA-N 1 1 263.768 3.127 20 30 CGEDMO Cc1[nH+]ccn1CCCCNc1cc(C)cc(F)c1C#N ZINC001333658493 935557391 /nfs/dbraw/zinc/55/73/91/935557391.db2.gz TYFNQSDHFCVPMN-UHFFFAOYSA-N 1 1 286.354 3.403 20 30 CGEDMO C=CCCCC[N@H+](C)CCc1nccc(C(F)(F)F)n1 ZINC001335264080 936135881 /nfs/dbraw/zinc/13/58/81/936135881.db2.gz VVMJYGCCHVBPMK-UHFFFAOYSA-N 1 1 287.329 3.326 20 30 CGEDMO C=C(C)CCC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001335964262 936169916 /nfs/dbraw/zinc/16/99/16/936169916.db2.gz ZAWOCELJDUWLIO-ZWKOTPCHSA-N 1 1 298.430 3.076 20 30 CGEDMO C#CCOCC[N@H+](C)[C@H](C)c1ccc(C(C)C)cc1 ZINC001337640779 936276517 /nfs/dbraw/zinc/27/65/17/936276517.db2.gz QLFRIPFZCUHPCR-OAHLLOKOSA-N 1 1 259.393 3.453 20 30 CGEDMO C#Cc1ccc(N2CCC(C[N@H+](C)CCCC)CC2)nc1 ZINC001337741095 936285126 /nfs/dbraw/zinc/28/51/26/936285126.db2.gz MUHCMMFVBCCJHV-UHFFFAOYSA-N 1 1 285.435 3.011 20 30 CGEDMO C#CC[N@H+](Cc1ccc(Br)cc1C#N)C(C)C ZINC001473816577 937822712 /nfs/dbraw/zinc/82/27/12/937822712.db2.gz GWUZLBRENZLKON-UHFFFAOYSA-N 1 1 291.192 3.164 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(Br)cc1C#N)C(C)C ZINC001473816577 937822714 /nfs/dbraw/zinc/82/27/14/937822714.db2.gz GWUZLBRENZLKON-UHFFFAOYSA-N 1 1 291.192 3.164 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001473857368 937825055 /nfs/dbraw/zinc/82/50/55/937825055.db2.gz OVWOPOFQDGENPP-AWEZNQCLSA-N 1 1 285.347 3.397 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@@H](c2cncn2C(C)(C)C)C1 ZINC001473897267 937828604 /nfs/dbraw/zinc/82/86/04/937828604.db2.gz JBPABKJHQPNKMG-OAHLLOKOSA-N 1 1 291.439 3.020 20 30 CGEDMO C=CCOc1ccc(C[NH2+][C@@H](C)CC#N)cc1Cl ZINC001474250688 937846322 /nfs/dbraw/zinc/84/63/22/937846322.db2.gz JNQBNYMEVQMPFE-NSHDSACASA-N 1 1 264.756 3.297 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2sc(N(C)C)nc2Cl)C1 ZINC001474594901 937869568 /nfs/dbraw/zinc/86/95/68/937869568.db2.gz CLWWYDIGSMDNII-LLVKDONJSA-N 1 1 297.855 3.098 20 30 CGEDMO C=CCC(C)(C)CNC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC001478711971 937909399 /nfs/dbraw/zinc/90/93/99/937909399.db2.gz YXMUPGWBVYTICI-HNNXBMFYSA-N 1 1 295.471 3.152 20 30 CGEDMO C=C/C(C)=C\CC(=O)N(C)C[C@H]1CC[N@H+]1CCC(=C)C ZINC001479237565 937918005 /nfs/dbraw/zinc/91/80/05/937918005.db2.gz TYJRBVZQFFLFMF-NXADEVLQSA-N 1 1 276.424 3.008 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C(=C)C)[C@H]1C ZINC001479713871 937924261 /nfs/dbraw/zinc/92/42/61/937924261.db2.gz CVARSXRVPSHWRQ-CABCVRRESA-N 1 1 278.440 3.134 20 30 CGEDMO C#CCCCCC(=O)N[C@@H]1CC[N@H+](C(C)C)CC(C)(C)C1 ZINC001479745980 937925247 /nfs/dbraw/zinc/92/52/47/937925247.db2.gz ONARGUSHYLJJQT-MRXNPFEDSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)/C=C(/C)CC)C1 ZINC001479903449 937928897 /nfs/dbraw/zinc/92/88/97/937928897.db2.gz UNSHWFVNYPTCQS-GBDTVTBQSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]2C[N@@H+](CCCCC)CC[C@H]21 ZINC001480186604 937933955 /nfs/dbraw/zinc/93/39/55/937933955.db2.gz NZIDVPVYZRGWNM-IAGOWNOFSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CC=C(C)C)C1 ZINC001480377453 937937798 /nfs/dbraw/zinc/93/77/98/937937798.db2.gz UQUSJKHKTZZBGK-HZPDHXFCSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@H]([N@H+](C)C[C@@H](F)CC)C1 ZINC001480734995 937943280 /nfs/dbraw/zinc/94/32/80/937943280.db2.gz AQDGNAUZJGQZDI-GJZGRUSLSA-N 1 1 298.446 3.260 20 30 CGEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](CCCC)C(C)C)C1 ZINC001480743235 937943351 /nfs/dbraw/zinc/94/33/51/937943351.db2.gz XNGMPCUKCNAXAZ-IAGOWNOFSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H]1CCCNC(=O)C=C1CCC1 ZINC001480820522 937945171 /nfs/dbraw/zinc/94/51/71/937945171.db2.gz IPFYISRPPXKWDC-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)C2(CCC)CCC2)C1 ZINC001493229687 937948557 /nfs/dbraw/zinc/94/85/57/937948557.db2.gz XCYJVLVYDVYSAQ-CQSZACIVSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)C2(CCC)CCC2)C1 ZINC001493229687 937948559 /nfs/dbraw/zinc/94/85/59/937948559.db2.gz XCYJVLVYDVYSAQ-CQSZACIVSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)CC(C)C)C1 ZINC001493251381 937949182 /nfs/dbraw/zinc/94/91/82/937949182.db2.gz CXVQYMNFLHDKDV-MRXNPFEDSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)c1ccc(C)cc1 ZINC001493329540 937949826 /nfs/dbraw/zinc/94/98/26/937949826.db2.gz GSJICOAWBUXEEF-UHFFFAOYSA-N 1 1 274.408 3.013 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CCNC(=O)C(C)=C2CCCC2)C1 ZINC001494004048 937952858 /nfs/dbraw/zinc/95/28/58/937952858.db2.gz LSABTCPYNZPYRB-INIZCTEOSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](CCNC(=O)C[C@@H]2C=CCCC2)C1 ZINC001494027321 937952967 /nfs/dbraw/zinc/95/29/67/937952967.db2.gz DMIILHMKALJKQI-SJORKVTESA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)CC(C)C)C1 ZINC001494070393 937953245 /nfs/dbraw/zinc/95/32/45/937953245.db2.gz QRVQCCOWXPWSJA-HNNXBMFYSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCC(=O)N1CC[C@@H](C[N@H+](C)CC/C=C/CC)C1 ZINC001494117941 937953472 /nfs/dbraw/zinc/95/34/72/937953472.db2.gz BBHPNJIWFIVPIJ-BVBGJJFLSA-N 1 1 278.440 3.089 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)C(=C)C)C1 ZINC001494150340 937953769 /nfs/dbraw/zinc/95/37/69/937953769.db2.gz RYVAUSPQYCTKHT-AWEZNQCLSA-N 1 1 298.858 3.122 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)CC(C)=C(C)C)C1 ZINC001494281851 937953951 /nfs/dbraw/zinc/95/39/51/937953951.db2.gz LLMZZAHVPRADRP-MRXNPFEDSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCC[N@H+](C)CC1CCN(C(=O)[C@](C)(C=C)CC)CC1 ZINC001494206070 937953953 /nfs/dbraw/zinc/95/39/53/937953953.db2.gz JDISNUYRLVUIIK-GOSISDBHSA-N 1 1 292.467 3.335 20 30 CGEDMO C=C(C)CC[N@H+](C)CC1CCN(C(=O)C2(C)CCC2)CC1 ZINC001494204749 937953959 /nfs/dbraw/zinc/95/39/59/937953959.db2.gz LCLCQQSQQJXKQW-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC(C[N@H+](C)CC[C@H](C)F)CC1 ZINC001494201085 937954019 /nfs/dbraw/zinc/95/40/19/937954019.db2.gz CEWAXXVPAQBQBD-AWEZNQCLSA-N 1 1 298.446 3.117 20 30 CGEDMO C=CCCCC(=O)NC1C[NH+](Cc2ccccc2C2CC2)C1 ZINC001494446099 937954768 /nfs/dbraw/zinc/95/47/68/937954768.db2.gz LPQXAJUWSPMUKZ-UHFFFAOYSA-N 1 1 298.430 3.221 20 30 CGEDMO CCCCCCCCC(=O)N(C)[C@@H]1CC[N@@H+](CC)C1 ZINC001494864761 937956543 /nfs/dbraw/zinc/95/65/43/937956543.db2.gz VCJAOTTVICHVNF-OAHLLOKOSA-N 1 1 268.445 3.290 20 30 CGEDMO C=CC(C)(C)CC(=O)N(CC)[C@@H]1CC[N@H+](CCCC)C1 ZINC001494899029 937957184 /nfs/dbraw/zinc/95/71/84/937957184.db2.gz AXNPVUQWWOULEP-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)CCCC(C)C)C1 ZINC001494912197 937957276 /nfs/dbraw/zinc/95/72/76/937957276.db2.gz DXHKRJZZNAXZLV-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)CCC2(C)CC2)C1 ZINC001494920119 937957281 /nfs/dbraw/zinc/95/72/81/937957281.db2.gz ZBOYKKVMJHQESJ-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)CC(C)(C)C=C)C1 ZINC001494901425 937957310 /nfs/dbraw/zinc/95/73/10/937957310.db2.gz TXBAVMCFVDVIMJ-OAHLLOKOSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC1(C(=O)N(C)CC[N@@H+](C)CC=C(C)C)CCCC1 ZINC001496847283 937964251 /nfs/dbraw/zinc/96/42/51/937964251.db2.gz PYPWYWPHYFTUIU-UHFFFAOYSA-N 1 1 292.467 3.479 20 30 CGEDMO CC#CC[N@@H+](C)CCN(C)C(=O)C[C@H]1CCCCC1(C)C ZINC001496847255 937964283 /nfs/dbraw/zinc/96/42/83/937964283.db2.gz OZQNESFZZPUTFW-MRXNPFEDSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)C(F)=C1CCCC1 ZINC001498259395 937968472 /nfs/dbraw/zinc/96/84/72/937968472.db2.gz QSVCPUPRKCEGQH-CYBMUJFWSA-N 1 1 282.403 3.187 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)C1=CCCCCC1 ZINC001498284750 937968781 /nfs/dbraw/zinc/96/87/81/937968781.db2.gz BATDPFNJKJUIEH-OAHLLOKOSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cccc(C)c1F ZINC001498292723 937968915 /nfs/dbraw/zinc/96/89/15/937968915.db2.gz DFJLAPNVWWJGHZ-CQSZACIVSA-N 1 1 292.398 3.150 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(C)C ZINC001499554874 937973615 /nfs/dbraw/zinc/97/36/15/937973615.db2.gz JRDOOICTHPXLFV-YESZJQIVSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)/C(C)=C\CC ZINC001499502290 937973717 /nfs/dbraw/zinc/97/37/17/937973717.db2.gz WNMWUHZWYCYYEV-DUEUMOEASA-N 1 1 290.451 3.374 20 30 CGEDMO C#CCCCC(=O)N[C@]1(C)CC[N@H+](CC/C=C\CCC)C1 ZINC001500211894 937976259 /nfs/dbraw/zinc/97/62/59/937976259.db2.gz DLAFLCQEZQMBLM-CNZFZVQHSA-N 1 1 290.451 3.117 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)CC2=CCCCC2)C1 ZINC001500198223 937976515 /nfs/dbraw/zinc/97/65/15/937976515.db2.gz PVSNCCNEAZYDSH-SFHVURJKSA-N 1 1 290.451 3.424 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@]1(C)CCC[N@H+](CCC)C1 ZINC001500512118 937977853 /nfs/dbraw/zinc/97/78/53/937977853.db2.gz QXFITTZLSNFFGZ-KRWDZBQOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC1CCCC1)C2 ZINC001500999572 937978319 /nfs/dbraw/zinc/97/83/19/937978319.db2.gz JHGBXJYZCZHZBK-BBWFWOEESA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC1(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CCC)CCC1 ZINC001501399712 937979441 /nfs/dbraw/zinc/97/94/41/937979441.db2.gz KHBQCNCUNTZVPL-HZPDHXFCSA-N 1 1 290.451 3.208 20 30 CGEDMO C#CCC[N@H+](C)Cc1ccccc1CNC(=O)/C(C)=C\CC ZINC001501660927 937980017 /nfs/dbraw/zinc/98/00/17/937980017.db2.gz FOGHBLGGTZSYHH-YBEGLDIGSA-N 1 1 298.430 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@](C)(F)CCCC)CC1 ZINC001502127986 937981433 /nfs/dbraw/zinc/98/14/33/937981433.db2.gz ZBIVMCQWFAVRDS-DOTOQJQBSA-N 1 1 298.446 3.452 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCN(C)C(=O)c1cc[nH]c1C ZINC001502171784 937981783 /nfs/dbraw/zinc/98/17/83/937981783.db2.gz JVGOCPIBXCVFPL-AWEZNQCLSA-N 1 1 291.439 3.072 20 30 CGEDMO C=C[C@H](CC)CC(=O)NCc1ccc2c(c1)C[N@H+](CC)C2 ZINC001502650901 937982869 /nfs/dbraw/zinc/98/28/69/937982869.db2.gz RGKXEVXCNODVNG-CQSZACIVSA-N 1 1 286.419 3.241 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC2(C)C)C(C)(C)C1 ZINC001502822666 937983505 /nfs/dbraw/zinc/98/35/05/937983505.db2.gz CKHOBCSAAHKAQI-CABCVRRESA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)CCCC)C[C@H]1C ZINC001502903710 937983723 /nfs/dbraw/zinc/98/37/23/937983723.db2.gz SXGFEGJCWCIYRV-CABCVRRESA-N 1 1 266.429 3.112 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)CCCCC(C)C)C[C@H]1C ZINC001503003458 937984083 /nfs/dbraw/zinc/98/40/83/937984083.db2.gz RSFZXDCTTLTKMI-CVEARBPZSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)C1CC=CC1 ZINC001505425269 937985049 /nfs/dbraw/zinc/98/50/49/937985049.db2.gz AEGGNAOLXUWMKA-RDJZCZTQSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1[nH]c(C)cc1C ZINC001505945492 937988059 /nfs/dbraw/zinc/98/80/59/937988059.db2.gz DMJHEZNTVBVWRQ-GJZGRUSLSA-N 1 1 291.439 3.036 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)c1cc[nH]c1C(C)C ZINC001505983579 937988291 /nfs/dbraw/zinc/98/82/91/937988291.db2.gz FFBAPPDTGRUFCN-CQSZACIVSA-N 1 1 291.439 3.154 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)c1cc2ccccc2o1 ZINC001506049406 937989084 /nfs/dbraw/zinc/98/90/84/937989084.db2.gz AJOYIWRGMRQHDV-CYBMUJFWSA-N 1 1 286.375 3.059 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)CC(C)(C)C ZINC001506558506 937990753 /nfs/dbraw/zinc/99/07/53/937990753.db2.gz JEGHPZRLFZFXKL-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccccc2)C(C)(C)C1 ZINC001506722803 937991462 /nfs/dbraw/zinc/99/14/62/937991462.db2.gz STVROYFEOGXXQO-MRXNPFEDSA-N 1 1 286.419 3.093 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)CC3(C)CC3)CCC[C@@H]12 ZINC001507358904 937995291 /nfs/dbraw/zinc/99/52/91/937995291.db2.gz UGTYNEKFEFBTPN-CRAIPNDOSA-N 1 1 290.451 3.256 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C2(CCC)CC2)[C@@H]1C ZINC001507387990 937995934 /nfs/dbraw/zinc/99/59/34/937995934.db2.gz ZYLXPPSQEJCJQH-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)C[C@H](C)CC)C(C)C ZINC001507786807 937996993 /nfs/dbraw/zinc/99/69/93/937996993.db2.gz FJZTWCIYPHLJFB-OAHLLOKOSA-N 1 1 268.445 3.168 20 30 CGEDMO CCCCCCCC(=O)N1[C@H](C)C[N@@H+](C)[C@H](C)[C@H]1C ZINC001527120336 938060203 /nfs/dbraw/zinc/06/02/03/938060203.db2.gz WMECZTNIJHQQHL-RBSFLKMASA-N 1 1 268.445 3.286 20 30 CGEDMO CCCCCCCC[C@H](CO)Nc1[nH+]cnc2[nH]ccc21 ZINC001559300598 938224893 /nfs/dbraw/zinc/22/48/93/938224893.db2.gz XWOAQPKWFTYVPL-CYBMUJFWSA-N 1 1 290.411 3.481 20 30 CGEDMO C[N@H+]1C[C@@H]2CC[C@H](Nc3nc(C(C)(C)C)ccc3C#N)[C@H]2C1 ZINC001559303753 938225015 /nfs/dbraw/zinc/22/50/15/938225015.db2.gz GGTNGFJENDFFQI-KKUMJFAQSA-N 1 1 298.434 3.003 20 30 CGEDMO Cc1cccc(OCC[N@H+](C)CC#Cc2ccc(F)cc2)c1 ZINC001559488742 938227238 /nfs/dbraw/zinc/22/72/38/938227238.db2.gz ROLDMQNQXAYPGX-UHFFFAOYSA-N 1 1 297.373 3.496 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CCC[C@@H](C(=O)NCCCCCC)C1 ZINC001559509084 938227857 /nfs/dbraw/zinc/22/78/57/938227857.db2.gz PMVVBNIAEIMUEQ-IAGOWNOFSA-N 1 1 292.467 3.197 20 30 CGEDMO C#CCCCCCC[N@@H+]1C[C@H](CC)N(C(C)=O)C[C@@H]1CC ZINC001559580624 938230064 /nfs/dbraw/zinc/23/00/64/938230064.db2.gz MKZBZHNFCKVNPI-ROUUACIJSA-N 1 1 292.467 3.291 20 30 CGEDMO C=CC[N@H+](CC(C)C)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001559751764 938234746 /nfs/dbraw/zinc/23/47/46/938234746.db2.gz LZKQJNKEENJYIX-KRWDZBQOSA-N 1 1 289.419 3.305 20 30 CGEDMO C=CC[N@@H+](CC(C)C)[C@@H](Cc1ccccc1)C(=O)OCC ZINC001559751764 938234747 /nfs/dbraw/zinc/23/47/47/938234747.db2.gz LZKQJNKEENJYIX-KRWDZBQOSA-N 1 1 289.419 3.305 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)[C@@H]1CCc2c1cccc2F ZINC001559796255 938235866 /nfs/dbraw/zinc/23/58/66/938235866.db2.gz CLRPULPOGMFXMJ-QGZVFWFLSA-N 1 1 276.399 3.253 20 30 CGEDMO C=CC[N@@H+](C)CCN(CC)[C@@H]1CCc2c1cccc2F ZINC001559796255 938235867 /nfs/dbraw/zinc/23/58/67/938235867.db2.gz CLRPULPOGMFXMJ-QGZVFWFLSA-N 1 1 276.399 3.253 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)[C@@H]1CCc2c1cccc2F ZINC001559796255 938235868 /nfs/dbraw/zinc/23/58/68/938235868.db2.gz CLRPULPOGMFXMJ-QGZVFWFLSA-N 1 1 276.399 3.253 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2C=C)cc1 ZINC001559799433 938236137 /nfs/dbraw/zinc/23/61/37/938236137.db2.gz YUYFVNRUZKPLRW-QGZVFWFLSA-N 1 1 282.387 3.037 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CCc2c(F)cccc2F)C1 ZINC001560026848 938242316 /nfs/dbraw/zinc/24/23/16/938242316.db2.gz IOZYTOSFXBJBEM-LBPRGKRZSA-N 1 1 251.320 3.405 20 30 CGEDMO C=CCCCC[N@@H+]1CCO[C@H](c2ccccc2OC)C1 ZINC001560075839 938243374 /nfs/dbraw/zinc/24/33/74/938243374.db2.gz OOZGMNFQGXJMJR-KRWDZBQOSA-N 1 1 275.392 3.425 20 30 CGEDMO C=CCCCC[N@H+]1CCO[C@H](c2ccccc2OC)C1 ZINC001560075839 938243375 /nfs/dbraw/zinc/24/33/75/938243375.db2.gz OOZGMNFQGXJMJR-KRWDZBQOSA-N 1 1 275.392 3.425 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H]1C(=O)NC(C)(C)C ZINC001560162421 938245449 /nfs/dbraw/zinc/24/54/49/938245449.db2.gz RIVCUSLGAKFOCW-CQSZACIVSA-N 1 1 266.429 3.112 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1[C@H]1CCCN(c2ccc(C)cc2)C1=O ZINC001560205456 938247046 /nfs/dbraw/zinc/24/70/46/938247046.db2.gz BNIQXUYDKMROGR-RDJZCZTQSA-N 1 1 284.403 3.141 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC001560289564 938251216 /nfs/dbraw/zinc/25/12/16/938251216.db2.gz LOGFUKNPYOAAOV-YOEHRIQHSA-N 1 1 299.462 3.385 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC001560289564 938251218 /nfs/dbraw/zinc/25/12/18/938251218.db2.gz LOGFUKNPYOAAOV-YOEHRIQHSA-N 1 1 299.462 3.385 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2ccsc2C(F)(F)F)nc1 ZINC001560492884 938260190 /nfs/dbraw/zinc/26/01/90/938260190.db2.gz KORAXXCDDIHSTM-UHFFFAOYSA-N 1 1 297.305 3.323 20 30 CGEDMO C#CCCCCCC[N@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC001560669263 938269031 /nfs/dbraw/zinc/26/90/31/938269031.db2.gz JLGCCMLCSKGQBC-UHFFFAOYSA-N 1 1 286.419 3.449 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](C[C@@H]2CCc3ccccc3C2)C1 ZINC001560906887 938283172 /nfs/dbraw/zinc/28/31/72/938283172.db2.gz WEDJXEYJBWAINN-JKSUJKDBSA-N 1 1 253.389 3.137 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1ccc(CC(F)(F)F)cc1 ZINC001560946434 938285754 /nfs/dbraw/zinc/28/57/54/938285754.db2.gz GMQQGIUWNQIQMZ-UHFFFAOYSA-N 1 1 299.336 3.263 20 30 CGEDMO C=CCC[N@@H+](C)CCNC(=O)CC1(C=C)CCCCC1 ZINC001480924802 957695585 /nfs/dbraw/zinc/69/55/85/957695585.db2.gz UHCPTSODIDHCHK-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCCC(=O)N(C)CC[N@H+](C)[C@H](C)c1ccccc1C ZINC001482583965 957731922 /nfs/dbraw/zinc/73/19/22/957731922.db2.gz FTKGQRSHLKBFSX-MRXNPFEDSA-N 1 1 288.435 3.412 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H]2C[N@H+](C(C)C)C[C@H]2C1 ZINC001485659101 957827701 /nfs/dbraw/zinc/82/77/01/957827701.db2.gz YJYQANQREXRNMN-ARFHVFGLSA-N 1 1 292.467 3.214 20 30 CGEDMO Cc1cc2c(nc[nH+]c2NC23CCC(C#N)(CC2)CC3)[nH]1 ZINC001158785614 958831832 /nfs/dbraw/zinc/83/18/32/958831832.db2.gz GHCZGJRNLMTZDZ-UHFFFAOYSA-N 1 1 281.363 3.295 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCCCC)C[C@@H]21 ZINC001222270661 960403670 /nfs/dbraw/zinc/40/36/70/960403670.db2.gz DHTJTQZIHNXRSL-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)ccc1Cl ZINC001238192907 960411244 /nfs/dbraw/zinc/41/12/44/960411244.db2.gz WFNHXIUNOAQDLF-ZDUSSCGKSA-N 1 1 282.721 3.443 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@@H+](CCCC(C)C)C1 ZINC001566673073 960569475 /nfs/dbraw/zinc/56/94/75/960569475.db2.gz ZREATGGNQDCVKA-CVEARBPZSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](C)CCCCCC)C1 ZINC001567924712 960603374 /nfs/dbraw/zinc/60/33/74/960603374.db2.gz GAODOIGGMGDODH-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@](C)(CC)CCC)[C@H]1CC ZINC001566024914 960865332 /nfs/dbraw/zinc/86/53/32/960865332.db2.gz ZFLBDYDHKQZDSH-JZXOWHBKSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@@H+](CC2CCC2)[C@@H]1CC ZINC001566020247 960866736 /nfs/dbraw/zinc/86/67/36/960866736.db2.gz DZMVUVBSLWSFCG-JKSUJKDBSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)/C=C(/C)CC ZINC001566120076 960887951 /nfs/dbraw/zinc/88/79/51/960887951.db2.gz WJLZLAAKWUSIQN-WVUXNXBLSA-N 1 1 298.858 3.408 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@@H]1CCCCN1C(=O)/C=C(/C)CC ZINC001566120076 960887978 /nfs/dbraw/zinc/88/79/78/960887978.db2.gz WJLZLAAKWUSIQN-WVUXNXBLSA-N 1 1 298.858 3.408 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCNC(=O)[C@@H]1CCC[C@H]1CC ZINC001566488462 960935564 /nfs/dbraw/zinc/93/55/64/960935564.db2.gz RRGIAZFYTVGWTM-ZIAGYGMSSA-N 1 1 286.847 3.003 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@H]1CC ZINC001566488462 960935573 /nfs/dbraw/zinc/93/55/73/960935573.db2.gz RRGIAZFYTVGWTM-ZIAGYGMSSA-N 1 1 286.847 3.003 20 30 CGEDMO C=CCCC[N@@H+](C)CCCNC(=O)c1cc(C)sc1C ZINC001566472446 960938887 /nfs/dbraw/zinc/93/88/87/960938887.db2.gz ZRKONGSPFOSMLQ-UHFFFAOYSA-N 1 1 294.464 3.383 20 30 CGEDMO C#Cc1ccc(C(=O)NCCC[N@H+](CC)CC=C(C)C)cc1 ZINC001566560466 960951921 /nfs/dbraw/zinc/95/19/21/960951921.db2.gz NUKNTCONCQXAAS-UHFFFAOYSA-N 1 1 298.430 3.076 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)C2(CC)CC2)C1 ZINC001566672210 960971570 /nfs/dbraw/zinc/97/15/70/960971570.db2.gz IXFRJKPRZSKBGQ-HNNXBMFYSA-N 1 1 280.456 3.338 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H](NC(=O)CC2=CCCCC2)C1 ZINC001566616900 960973230 /nfs/dbraw/zinc/97/32/30/960973230.db2.gz QBMARDWSTWZCFE-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccsc2C)C1 ZINC001566663224 960974611 /nfs/dbraw/zinc/97/46/11/960974611.db2.gz NTBSQELAOAXUIU-TZMCWYRMSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)C2(CF)CCC2)C1 ZINC001566629314 960975551 /nfs/dbraw/zinc/97/55/51/960975551.db2.gz YNQCILPQMZEOLA-HUUCEWRRSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@H](NC(=O)C2CC3(CC3)C2)C1 ZINC001566672309 960980070 /nfs/dbraw/zinc/98/00/70/960980070.db2.gz KDQUEKFXLOGECF-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)C2(CF)CCC2)C1 ZINC001566629312 960980455 /nfs/dbraw/zinc/98/04/55/960980455.db2.gz YNQCILPQMZEOLA-CABCVRRESA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)CCCC(C)C)C1 ZINC001566878309 961031845 /nfs/dbraw/zinc/03/18/45/961031845.db2.gz PHSSUQIMIZUSJO-INIZCTEOSA-N 1 1 280.456 3.217 20 30 CGEDMO CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)C(CC)(CC)CC ZINC001566927244 961056626 /nfs/dbraw/zinc/05/66/26/961056626.db2.gz NJOLFHNFWFVXNS-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H](C)CC ZINC001566920770 961059106 /nfs/dbraw/zinc/05/91/06/961059106.db2.gz ZPBHPJCJVLKRAA-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)C1CCC1 ZINC001566923773 961066216 /nfs/dbraw/zinc/06/62/16/961066216.db2.gz ZIDYLSYPCRBGCZ-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)C2CCC2)C1 ZINC001567185517 961128837 /nfs/dbraw/zinc/12/88/37/961128837.db2.gz YLBXSXHANGNYIZ-GDBMZVCRSA-N 1 1 278.440 3.064 20 30 CGEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001567201830 961141472 /nfs/dbraw/zinc/14/14/72/961141472.db2.gz JAUBXNXHRZNILE-JKSUJKDBSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CCCNC(=O)C1(C)CC=CC1 ZINC001567262298 961158026 /nfs/dbraw/zinc/15/80/26/961158026.db2.gz ZGOIGKIQWCPXKT-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO CC#CCCCC(=O)NCC[N@@H+](C)CCC1CCCCC1 ZINC001567299073 961265506 /nfs/dbraw/zinc/26/55/06/961265506.db2.gz ZVTGFPSOWGHDPI-UHFFFAOYSA-N 1 1 292.467 3.198 20 30 CGEDMO C=C[C@@H](CC(=O)NCC[N@H+](C)CC(C)C)c1ccccc1 ZINC001567320565 961275096 /nfs/dbraw/zinc/27/50/96/961275096.db2.gz WMMVWGNQRRGWAL-INIZCTEOSA-N 1 1 288.435 3.050 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCNC(=O)[C@@]1(C)CC=C(C)CC1 ZINC001567320558 961283257 /nfs/dbraw/zinc/28/32/57/961283257.db2.gz WKMZWAVQJQPUEH-KRWDZBQOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)C1=CCCCCC1 ZINC001567330293 961289278 /nfs/dbraw/zinc/28/92/78/961289278.db2.gz HBSJRJLUSMDNGB-UHFFFAOYSA-N 1 1 278.440 3.281 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@@H]1CNC(=O)C1CCC1 ZINC001567356898 961293212 /nfs/dbraw/zinc/29/32/12/961293212.db2.gz JPHHGLWTFQBGNQ-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCC[N@H+](CC)CC1CC(C)C1 ZINC001567344177 961296835 /nfs/dbraw/zinc/29/68/35/961296835.db2.gz WOGXWAZTCGDHPF-DQPZFDDXSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC[N@H+](CC)CC1CCCC1 ZINC001567342130 961299204 /nfs/dbraw/zinc/29/92/04/961299204.db2.gz YVGFEKYGWKAVEZ-UHFFFAOYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1CCC[N@@H+]1CCC(C)C ZINC001567368217 961301573 /nfs/dbraw/zinc/30/15/73/961301573.db2.gz RRCNKUVGSXIIQV-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)C1(CCC)CC1 ZINC001567378509 961311220 /nfs/dbraw/zinc/31/12/20/961311220.db2.gz CWDZLEITYYENLD-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)CC(C)C ZINC001567383629 961311970 /nfs/dbraw/zinc/31/19/70/961311970.db2.gz STCFTWWMUMXTJL-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCC[N@@H+]1Cc1csc(C)c1 ZINC001567366193 961313155 /nfs/dbraw/zinc/31/31/55/961313155.db2.gz COKAABWEAFBHRJ-OAHLLOKOSA-N 1 1 292.448 3.103 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCC2)C1 ZINC001567378921 961315116 /nfs/dbraw/zinc/31/51/16/961315116.db2.gz KYSBAFFAFXXZPI-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(Cl)C[N@H+](CCC)CCNC(=O)C(C)(C)CC ZINC001567429718 961327585 /nfs/dbraw/zinc/32/75/85/961327585.db2.gz ZLVAYNRPRSWDHH-UHFFFAOYSA-N 1 1 274.836 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+](CCC)CCNC(=O)C(C)(C)CC ZINC001567429718 961327592 /nfs/dbraw/zinc/32/75/92/961327592.db2.gz ZLVAYNRPRSWDHH-UHFFFAOYSA-N 1 1 274.836 3.003 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CCNC(=O)C1(C)CCC1)C1CC1 ZINC001567446964 961354284 /nfs/dbraw/zinc/35/42/84/961354284.db2.gz LSNGNYUCUUCZMK-CQSZACIVSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)[C@@]2(C)C=CCC2)C1 ZINC001567706145 961403537 /nfs/dbraw/zinc/40/35/37/961403537.db2.gz WFTZRRWGZLJTBF-AEFFLSMTSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)CC2(C)CC2)C1 ZINC001567733140 961418976 /nfs/dbraw/zinc/41/89/76/961418976.db2.gz MEIIVOVNHVQTEU-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)CCCCCC)C1 ZINC001567927534 961460393 /nfs/dbraw/zinc/46/03/93/961460393.db2.gz OFUXFIRUCRTBAT-INIZCTEOSA-N 1 1 280.456 3.456 20 30 CGEDMO C=CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CC[C@H](C)C2)CC1 ZINC001568439303 961577017 /nfs/dbraw/zinc/57/70/17/961577017.db2.gz OHXBPCOOWQMWKX-RDJZCZTQSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@H]1CC[C@H](C)CC1 ZINC001568502714 961592693 /nfs/dbraw/zinc/59/26/93/961592693.db2.gz PLMRGIPZIBIOMF-WKILWMFISA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCCCC)C1 ZINC001568511189 961610143 /nfs/dbraw/zinc/61/01/43/961610143.db2.gz RKYQFAFHSBOVBL-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)C1(CCC)CCC1 ZINC001569133071 961694788 /nfs/dbraw/zinc/69/47/88/961694788.db2.gz OXLMNFDTSNFUEO-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)c1cccs1 ZINC001569137695 961699523 /nfs/dbraw/zinc/69/95/23/961699523.db2.gz GXUJHOHLAIZLSH-ZIAGYGMSSA-N 1 1 294.464 3.254 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CC[N@H+]1CC/C=C\c1ccccc1 ZINC001569350698 961744412 /nfs/dbraw/zinc/74/44/12/961744412.db2.gz OPCJDIJITDIDFS-RLGIIYIFSA-N 1 1 298.430 3.247 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccsc1 ZINC001569360033 961745272 /nfs/dbraw/zinc/74/52/72/961745272.db2.gz RCLXJMCRXDXOFE-CQSZACIVSA-N 1 1 292.448 3.041 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@H]1CC[N@H+]1Cc1ccsc1 ZINC001569360033 961745286 /nfs/dbraw/zinc/74/52/86/961745286.db2.gz RCLXJMCRXDXOFE-CQSZACIVSA-N 1 1 292.448 3.041 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCCC1(C)C ZINC001569386330 961747966 /nfs/dbraw/zinc/74/79/66/961747966.db2.gz MARJAABZIZSHJF-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CC[N@H+]2CCC2CC2)CCCC1 ZINC001569387404 961749853 /nfs/dbraw/zinc/74/98/53/961749853.db2.gz LYVBTFXBUZXLIP-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@@H+](CCNC(=O)C(C)(C)F)C1CCCCCC1 ZINC001569448558 961768090 /nfs/dbraw/zinc/76/80/90/961768090.db2.gz USJHQYSODYESTE-UHFFFAOYSA-N 1 1 298.446 3.452 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)CC ZINC001569444584 961768944 /nfs/dbraw/zinc/76/89/44/961768944.db2.gz DPCLQLZGQYQVHN-ZACQAIPSSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@H+](CCNC(=O)C(C)C)C1CCCCCC1 ZINC001569448307 961771033 /nfs/dbraw/zinc/77/10/33/961771033.db2.gz OIFGVLIJYXZZQW-UHFFFAOYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@]2(CCN(C(=O)C3CC3)C2)C1 ZINC001569472311 961781552 /nfs/dbraw/zinc/78/15/52/961781552.db2.gz QOPROASNQYAJKF-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)c2sccc2C)C1 ZINC001569708731 961827879 /nfs/dbraw/zinc/82/78/79/961827879.db2.gz HONXJAJGNOJWPV-INIZCTEOSA-N 1 1 292.448 3.074 20 30 CGEDMO C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)C(CC)CC)C[C@H]2C1 ZINC001569877615 961857271 /nfs/dbraw/zinc/85/72/71/961857271.db2.gz SSVXPSVGZMJZHP-BHYGNILZSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCC ZINC001569905741 961873534 /nfs/dbraw/zinc/87/35/34/961873534.db2.gz YNLAEJHVQOAGSN-HZPDHXFCSA-N 1 1 278.440 3.208 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CCC[N@H+](C[C@@H](F)CC)CC1 ZINC001570181025 961911096 /nfs/dbraw/zinc/91/10/96/961911096.db2.gz BHIGPEPOQVQZNT-GJZGRUSLSA-N 1 1 298.446 3.308 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CCC[N@H+](CCC(=C)C)CC1 ZINC001570177052 961916511 /nfs/dbraw/zinc/91/65/11/961916511.db2.gz DRWKEZNROJFVNG-MRXNPFEDSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CCC[N@H+](CC[C@@H](C)F)CC1 ZINC001570183455 961919325 /nfs/dbraw/zinc/91/93/25/961919325.db2.gz LDUFSCFOUONRLE-CABCVRRESA-N 1 1 298.446 3.308 20 30 CGEDMO C=C/C(C)=C\CC(=O)N(C)CCC[N@H+](C)CC(=C)Cl ZINC001570206224 961920932 /nfs/dbraw/zinc/92/09/32/961920932.db2.gz MFCRFYSIXTXFCB-JYRVWZFOSA-N 1 1 284.831 3.042 20 30 CGEDMO C=C/C(C)=C\CC(=O)N(C)CCC[N@@H+](C)CC(=C)Cl ZINC001570206224 961920950 /nfs/dbraw/zinc/92/09/50/961920950.db2.gz MFCRFYSIXTXFCB-JYRVWZFOSA-N 1 1 284.831 3.042 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)C1CCC=CCC1 ZINC001570218460 961936535 /nfs/dbraw/zinc/93/65/35/961936535.db2.gz UWDYHXIFBGCOHA-UHFFFAOYSA-N 1 1 292.467 3.479 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@]2(CC[N@H+](CCC)C2)C1 ZINC001570273394 961942238 /nfs/dbraw/zinc/94/22/38/961942238.db2.gz PRFMFKMXVRVGLQ-QGZVFWFLSA-N 1 1 278.440 3.067 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC(C)C)C2 ZINC001570271967 961946391 /nfs/dbraw/zinc/94/63/91/961946391.db2.gz RTCIWZFOCBJUMJ-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)CCCC1CC1 ZINC001570538811 961986727 /nfs/dbraw/zinc/98/67/27/961986727.db2.gz SRHBNXBGIVJBIS-OAHLLOKOSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)CCCC1CC1 ZINC001570538811 961986739 /nfs/dbraw/zinc/98/67/39/961986739.db2.gz SRHBNXBGIVJBIS-OAHLLOKOSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C)C1CCCC1 ZINC001570544064 961987525 /nfs/dbraw/zinc/98/75/25/961987525.db2.gz QKRUSHHPHIUJCL-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)/C=C(/C)C1CC1 ZINC001570525251 961994185 /nfs/dbraw/zinc/99/41/85/961994185.db2.gz BBLFQQBJLWCPPB-KSVUCXBSSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)C1(F)CCCC1 ZINC001570720668 962053901 /nfs/dbraw/zinc/05/39/01/962053901.db2.gz XLNVRZXUUPFIFT-ZIAGYGMSSA-N 1 1 284.419 3.060 20 30 CGEDMO CC#CCCCC(=O)NC[C@H](C)[N@@H+](C)CC1=CCCCC1 ZINC001570731005 962057526 /nfs/dbraw/zinc/05/75/26/962057526.db2.gz ZIXUMRLIOOOWTN-INIZCTEOSA-N 1 1 290.451 3.117 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](CCC)c1ccccc1 ZINC001570750413 962075615 /nfs/dbraw/zinc/07/56/15/962075615.db2.gz RPICNXOTFGHVRA-RDJZCZTQSA-N 1 1 288.435 3.193 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)[C@H](CC)CC(C)C)C(C)(C)C1 ZINC001570907784 962109086 /nfs/dbraw/zinc/10/90/86/962109086.db2.gz OELBNARQUYCSLX-CVEARBPZSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)C2(C)CC2)CC1 ZINC001571331429 962134322 /nfs/dbraw/zinc/13/43/22/962134322.db2.gz VPDZCOJUFKEYCW-CQSZACIVSA-N 1 1 278.440 3.064 20 30 CGEDMO C#CCC[N@H+](C)C1CCN(C(=O)CCCCC(C)C)CC1 ZINC001571334934 962134434 /nfs/dbraw/zinc/13/44/34/962134434.db2.gz PORLUEXRNAYDQD-UHFFFAOYSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)CC(C)(C)C=C)[C@H]1C ZINC001571519606 962170101 /nfs/dbraw/zinc/17/01/01/962170101.db2.gz USQBKKVABVIYAM-HUUCEWRRSA-N 1 1 278.440 3.134 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)CC(C)C)[C@@H]1C ZINC001571525675 962181417 /nfs/dbraw/zinc/18/14/17/962181417.db2.gz VQIYWUMNRFBYKK-JKSUJKDBSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CC(C)(C)CC(=O)NCC1=CC[N@@H+](CCC(=C)C)CC1 ZINC001571688782 962215899 /nfs/dbraw/zinc/21/58/99/962215899.db2.gz YRDYJSWIAHYELN-UHFFFAOYSA-N 1 1 290.451 3.303 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@H]2CCN[C@H](c3ccccc3)C2)s1 ZINC001580065828 962684596 /nfs/dbraw/zinc/68/45/96/962684596.db2.gz TWDONGHFUPPEJO-YOEHRIQHSA-N 1 1 297.427 3.203 20 30 CGEDMO C=C1CCC(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001584065008 962889274 /nfs/dbraw/zinc/88/92/74/962889274.db2.gz LBZMHGJVUNCMEP-KRWDZBQOSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCCC[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001589390295 963981550 /nfs/dbraw/zinc/98/15/50/963981550.db2.gz IBVKVUSOTFTBHJ-DLBZAZTESA-N 1 1 286.419 3.294 20 30 CGEDMO C=CC[C@@H]1CC[C@H]([NH2+]C2CCN(C(C)C)CC2)C1 ZINC000651670597 398265649 /nfs/dbraw/zinc/26/56/49/398265649.db2.gz OAPHQDIINXMJBO-ZBFHGGJFSA-N 1 1 250.430 3.194 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@](F)(c3ccccc3)C2)C1 ZINC000590180829 346835149 /nfs/dbraw/zinc/83/51/49/346835149.db2.gz GQXOVZAODNIQRT-KBMXLJTQSA-N 1 1 258.340 3.249 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000590593824 346852954 /nfs/dbraw/zinc/85/29/54/346852954.db2.gz JEMDZNYFHCBKHF-FUHWJXTLSA-N 1 1 286.419 3.465 20 30 CGEDMO C=CC[N@@H+](CCOC)Cc1cn(-c2cccc(C)c2)nc1C ZINC000651784903 398287154 /nfs/dbraw/zinc/28/71/54/398287154.db2.gz IDHMMTBSAOTPIQ-UHFFFAOYSA-N 1 1 299.418 3.124 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cn(-c2cccc(C)c2)nc1C ZINC000651784903 398287157 /nfs/dbraw/zinc/28/71/57/398287157.db2.gz IDHMMTBSAOTPIQ-UHFFFAOYSA-N 1 1 299.418 3.124 20 30 CGEDMO C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cc(C#N)ccc32)c2nccn21 ZINC000590778437 346875189 /nfs/dbraw/zinc/87/51/89/346875189.db2.gz FTIZJVOGTFFASQ-RLCCDNCMSA-N 1 1 278.359 3.038 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000187694608 542246538 /nfs/dbraw/zinc/24/65/38/542246538.db2.gz GJLFSMTZKNLQGN-OAHLLOKOSA-N 1 1 261.413 3.476 20 30 CGEDMO Cc1ccccc1CC1C[NH+](Cc2ccc(C#N)o2)C1 ZINC000590967197 346891620 /nfs/dbraw/zinc/89/16/20/346891620.db2.gz HGZNENLOGOLTKT-UHFFFAOYSA-N 1 1 266.344 3.134 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](C3CCC3)C2)c1 ZINC000591061655 346897512 /nfs/dbraw/zinc/89/75/12/346897512.db2.gz CBUHDBPZWFHQQV-AWEZNQCLSA-N 1 1 258.340 3.319 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](C2CCC2)C1 ZINC000591063389 346898209 /nfs/dbraw/zinc/89/82/09/346898209.db2.gz UKOBZVLHTXCXDQ-HNNXBMFYSA-N 1 1 270.376 3.189 20 30 CGEDMO C[N@@H+](CCc1ccccc1)Cc1ccc(C#N)s1 ZINC000126462065 187240841 /nfs/dbraw/zinc/24/08/41/187240841.db2.gz CTGMQAGGZAFLGS-UHFFFAOYSA-N 1 1 256.374 3.294 20 30 CGEDMO CC[N@H+](CCC#N)Cc1cc(C)nc2ccccc12 ZINC000080789037 260181969 /nfs/dbraw/zinc/18/19/69/260181969.db2.gz NZXUNXUJJGVMHX-UHFFFAOYSA-N 1 1 253.349 3.279 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1cc(C)nc2ccccc12 ZINC000080789037 260181971 /nfs/dbraw/zinc/18/19/71/260181971.db2.gz NZXUNXUJJGVMHX-UHFFFAOYSA-N 1 1 253.349 3.279 20 30 CGEDMO CCc1ccc([C@@H](CO)[NH2+]Cc2cccc(C#N)c2F)cc1 ZINC000359625000 529709452 /nfs/dbraw/zinc/70/94/52/529709452.db2.gz KCYOCCAZUHZVBU-QGZVFWFLSA-N 1 1 298.361 3.083 20 30 CGEDMO Cc1nc(C)c(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)o1 ZINC000591852984 346942628 /nfs/dbraw/zinc/94/26/28/346942628.db2.gz OSNVZUJHIKLPPI-GFCCVEGCSA-N 1 1 269.348 3.356 20 30 CGEDMO Cc1nc(C)c(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)o1 ZINC000591852984 346942632 /nfs/dbraw/zinc/94/26/32/346942632.db2.gz OSNVZUJHIKLPPI-GFCCVEGCSA-N 1 1 269.348 3.356 20 30 CGEDMO CCc1ncc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cn1 ZINC000414367258 529752896 /nfs/dbraw/zinc/75/28/96/529752896.db2.gz DMEBGCLWILDNSX-UHFFFAOYSA-N 1 1 294.402 3.321 20 30 CGEDMO C[N@@H+](CCCC1(C#N)CCOCC1)CCC(C)(C)C ZINC000592144628 346966954 /nfs/dbraw/zinc/96/69/54/346966954.db2.gz FGOSKGVURPDLEL-UHFFFAOYSA-N 1 1 266.429 3.455 20 30 CGEDMO CCCC[N@@H+](CCCC#N)[C@@H]1CCc2ncsc2C1 ZINC000592187860 346970662 /nfs/dbraw/zinc/97/06/62/346970662.db2.gz MCXCMVYDKWKCPA-CYBMUJFWSA-N 1 1 277.437 3.406 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000593035453 347030283 /nfs/dbraw/zinc/03/02/83/347030283.db2.gz MHCOMMWBKUCWFW-CQSZACIVSA-N 1 1 285.347 3.088 20 30 CGEDMO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1CC1(C#N)CC1 ZINC000593048851 347032634 /nfs/dbraw/zinc/03/26/34/347032634.db2.gz KDBXFLXBYNYQBN-GVDBMIGSSA-N 1 1 297.446 3.273 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)c(Cl)c1 ZINC000593116272 347041354 /nfs/dbraw/zinc/04/13/54/347041354.db2.gz HBEZVXCYNBLGLI-CYBMUJFWSA-N 1 1 282.721 3.443 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593118704 347042353 /nfs/dbraw/zinc/04/23/53/347042353.db2.gz RJMIJANRAGDWCN-BXUZGUMPSA-N 1 1 262.303 3.350 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)c(F)c1 ZINC000044437973 345009948 /nfs/dbraw/zinc/00/99/48/345009948.db2.gz FYIUQJQFIORRJI-UHFFFAOYSA-N 1 1 272.298 3.468 20 30 CGEDMO Cc1cc(NCCSCc2ccccc2C#N)nc(C)[nH+]1 ZINC000044712301 345015809 /nfs/dbraw/zinc/01/58/09/345015809.db2.gz IUPRCKVYLZGQKV-UHFFFAOYSA-N 1 1 298.415 3.310 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1nc(-c2cccc(C)c2)no1 ZINC000048060818 345059383 /nfs/dbraw/zinc/05/93/83/345059383.db2.gz SLQGIKGWBXVRPY-UHFFFAOYSA-N 1 1 271.364 3.443 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1nc(-c2cccc(C)c2)no1 ZINC000048060818 345059387 /nfs/dbraw/zinc/05/93/87/345059387.db2.gz SLQGIKGWBXVRPY-UHFFFAOYSA-N 1 1 271.364 3.443 20 30 CGEDMO CCn1c2ccccc2nc1C[NH2+]Cc1cccc(C#N)c1 ZINC000057620209 345184242 /nfs/dbraw/zinc/18/42/42/345184242.db2.gz XAAVFTNKIPMLIR-UHFFFAOYSA-N 1 1 290.370 3.218 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000061758553 345232739 /nfs/dbraw/zinc/23/27/39/345232739.db2.gz UGLBXRFIWLDEQV-HNNXBMFYSA-N 1 1 274.408 3.104 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)CCc1cccs1 ZINC000075966935 345528842 /nfs/dbraw/zinc/52/88/42/345528842.db2.gz XZBNVENYJABBKA-AWEZNQCLSA-N 1 1 294.464 3.036 20 30 CGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCCCC[C@@H]1C ZINC000077313978 345568494 /nfs/dbraw/zinc/56/84/94/345568494.db2.gz HCNXTZCOOKVDMI-AWEZNQCLSA-N 1 1 288.391 3.210 20 30 CGEDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000080656095 345681875 /nfs/dbraw/zinc/68/18/75/345681875.db2.gz JXJUHIWZVRAJKN-SWLSCSKDSA-N 1 1 296.374 3.229 20 30 CGEDMO CC(C)CCO[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000083247121 345725889 /nfs/dbraw/zinc/72/58/89/345725889.db2.gz LEKWDMKVBLKMFI-MRXNPFEDSA-N 1 1 290.382 3.334 20 30 CGEDMO CC(C)CCO[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000083247121 345725891 /nfs/dbraw/zinc/72/58/91/345725891.db2.gz LEKWDMKVBLKMFI-MRXNPFEDSA-N 1 1 290.382 3.334 20 30 CGEDMO Cn1ccc(C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000093872275 345892428 /nfs/dbraw/zinc/89/24/28/345892428.db2.gz SKTJFBISGDIUOH-ZWKOTPCHSA-N 1 1 279.387 3.297 20 30 CGEDMO N#Cc1csc(C[N@H+](CCCO)Cc2ccccc2)c1 ZINC000093102211 345869457 /nfs/dbraw/zinc/86/94/57/345869457.db2.gz XKNQUHSYXJZDNM-UHFFFAOYSA-N 1 1 286.400 3.004 20 30 CGEDMO C[C@@H](CCO)[N@@H+](Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000093303961 345874952 /nfs/dbraw/zinc/87/49/52/345874952.db2.gz JWAGKORYQDVALT-INIZCTEOSA-N 1 1 294.398 3.331 20 30 CGEDMO C[C@@H]1CC[C@@H]([N@@H+](CCO)Cc2ccc(Cl)cc2C#N)C1 ZINC000351647763 219162124 /nfs/dbraw/zinc/16/21/24/219162124.db2.gz JPBCEKKMAHSWQZ-MLGOLLRUSA-N 1 1 292.810 3.195 20 30 CGEDMO CC[N@@H+](CCOc1cccc(C#N)c1)Cc1ccoc1 ZINC000102407292 345916121 /nfs/dbraw/zinc/91/61/21/345916121.db2.gz PVFPQIPZNMVKDL-UHFFFAOYSA-N 1 1 270.332 3.052 20 30 CGEDMO COc1ccccc1OCC[N@H+](CCC#N)CC(C)(C)C ZINC000109812099 345943837 /nfs/dbraw/zinc/94/38/37/345943837.db2.gz HODLZEZEEPPAMU-UHFFFAOYSA-N 1 1 290.407 3.336 20 30 CGEDMO COc1ccccc1OCC[N@@H+](CCC#N)CC(C)(C)C ZINC000109812099 345943838 /nfs/dbraw/zinc/94/38/38/345943838.db2.gz HODLZEZEEPPAMU-UHFFFAOYSA-N 1 1 290.407 3.336 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CCc3ccsc3C2)c1 ZINC000127084406 346028902 /nfs/dbraw/zinc/02/89/02/346028902.db2.gz CRBPKUYVSINELL-UHFFFAOYSA-N 1 1 260.387 3.240 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCc3ccsc3C2)c1 ZINC000127084406 346028905 /nfs/dbraw/zinc/02/89/05/346028905.db2.gz CRBPKUYVSINELL-UHFFFAOYSA-N 1 1 260.387 3.240 20 30 CGEDMO COC[C@@H]1CCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000135273172 346087079 /nfs/dbraw/zinc/08/70/79/346087079.db2.gz HBNBCFDWFXAVRH-HNNXBMFYSA-N 1 1 272.392 3.099 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1cncs1 ZINC000151144319 346135398 /nfs/dbraw/zinc/13/53/98/346135398.db2.gz LSWWRMYHJLUARP-VIFPVBQESA-N 1 1 261.325 3.005 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cccnc1 ZINC000171145334 346203021 /nfs/dbraw/zinc/20/30/21/346203021.db2.gz CIZFTIVJUSHLOS-UHFFFAOYSA-N 1 1 268.360 3.278 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cccnc1 ZINC000171145334 346203025 /nfs/dbraw/zinc/20/30/25/346203025.db2.gz CIZFTIVJUSHLOS-UHFFFAOYSA-N 1 1 268.360 3.278 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)c1F ZINC000223528026 346300559 /nfs/dbraw/zinc/30/05/59/346300559.db2.gz CKCRHUKYAHCYOU-WFASDCNBSA-N 1 1 258.340 3.462 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCCCC[C@@H]1C[C@H](C)O ZINC000229202289 346316046 /nfs/dbraw/zinc/31/60/46/346316046.db2.gz UVLHAGGEDCOFDE-MAUKXSAKSA-N 1 1 286.419 3.382 20 30 CGEDMO CC[N@H+]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)C[C@H]1C ZINC000250204437 346384699 /nfs/dbraw/zinc/38/46/99/346384699.db2.gz BTWYGGAGESKANQ-LLVKDONJSA-N 1 1 297.324 3.107 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCO[C@H](CCc3ccccc3)C2)C1 ZINC000278642981 346416062 /nfs/dbraw/zinc/41/60/62/346416062.db2.gz PFBLPKZGUVXJRE-FGTMMUONSA-N 1 1 284.403 3.012 20 30 CGEDMO C[N@@H+](CCCOCc1ccccc1)CCC(C)(C)C#N ZINC000281233612 346418364 /nfs/dbraw/zinc/41/83/64/346418364.db2.gz CIDXWPTZDYPPNM-UHFFFAOYSA-N 1 1 274.408 3.465 20 30 CGEDMO C=CCOCC[N@H+](C)Cc1ccccc1SC ZINC000294280972 346432717 /nfs/dbraw/zinc/43/27/17/346432717.db2.gz WBFCQPFXXMAONW-UHFFFAOYSA-N 1 1 251.395 3.043 20 30 CGEDMO N#Cc1ncccc1N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309581800 346469731 /nfs/dbraw/zinc/46/97/31/346469731.db2.gz LHNAZTRKLOGDEJ-MRXNPFEDSA-N 1 1 292.386 3.030 20 30 CGEDMO N#CC1(C[NH2+]Cc2cnc(-c3ccccn3)s2)CCCC1 ZINC000593652769 347099136 /nfs/dbraw/zinc/09/91/36/347099136.db2.gz LJICBBANDCFOGA-UHFFFAOYSA-N 1 1 298.415 3.379 20 30 CGEDMO OCC[N@@H+](CC#Cc1ccccc1Cl)C1CCCCC1 ZINC000536042053 346649032 /nfs/dbraw/zinc/64/90/32/346649032.db2.gz PMEIRVPWKZWUKO-UHFFFAOYSA-N 1 1 291.822 3.319 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1C[C@H](C)C[C@H]1c1cccc(OC)c1 ZINC000541315016 346652224 /nfs/dbraw/zinc/65/22/24/346652224.db2.gz PKSUDFCAUOMYJT-HFTRVMKXSA-N 1 1 289.419 3.405 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1nc2cc(Br)ccc2o1 ZINC000491664003 346629258 /nfs/dbraw/zinc/62/92/58/346629258.db2.gz DWTJNSYMSCMRGJ-VIFPVBQESA-N 1 1 293.164 3.044 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1nc2cc(Br)ccc2o1 ZINC000491664003 346629267 /nfs/dbraw/zinc/62/92/67/346629267.db2.gz DWTJNSYMSCMRGJ-VIFPVBQESA-N 1 1 293.164 3.044 20 30 CGEDMO Cc1cc([C@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)no1 ZINC000585726629 346727865 /nfs/dbraw/zinc/72/78/65/346727865.db2.gz UJPNEVZQKVNQSE-NHYWBVRUSA-N 1 1 267.332 3.193 20 30 CGEDMO C=CC[C@@H](C)NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000584788302 346715261 /nfs/dbraw/zinc/71/52/61/346715261.db2.gz LDNRRVQQIWNWBZ-BXUZGUMPSA-N 1 1 280.799 3.024 20 30 CGEDMO COc1ccccc1C[C@H](C)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000593959269 347123639 /nfs/dbraw/zinc/12/36/39/347123639.db2.gz JFEDNVNIOVOYIY-AWEZNQCLSA-N 1 1 295.386 3.025 20 30 CGEDMO Cc1nc(C)c(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)o1 ZINC000589252417 346791313 /nfs/dbraw/zinc/79/13/13/346791313.db2.gz IFSYRSFXKHACFP-UHFFFAOYSA-N 1 1 281.359 3.328 20 30 CGEDMO Cc1nc(C)c(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)o1 ZINC000589252417 346791316 /nfs/dbraw/zinc/79/13/16/346791316.db2.gz IFSYRSFXKHACFP-UHFFFAOYSA-N 1 1 281.359 3.328 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000589278949 346792198 /nfs/dbraw/zinc/79/21/98/346792198.db2.gz BYZQKSNRJVCBPE-SFHVURJKSA-N 1 1 284.403 3.396 20 30 CGEDMO CCC[N@@H+](CCCc1cncn1C)Cc1ccc(C#N)cc1 ZINC000593945819 347121608 /nfs/dbraw/zinc/12/16/08/347121608.db2.gz XRIASWXKMJQVPT-UHFFFAOYSA-N 1 1 296.418 3.137 20 30 CGEDMO COc1cccc(OC)c1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000594708663 347212108 /nfs/dbraw/zinc/21/21/08/347212108.db2.gz BCHCEZMIPMSRJD-ZDUSSCGKSA-N 1 1 296.370 3.426 20 30 CGEDMO N#Cc1ccccc1COc1cc[nH+]c2c1CCCC2 ZINC000594492991 347177685 /nfs/dbraw/zinc/17/76/85/347177685.db2.gz BEFLILLCRFMQLG-UHFFFAOYSA-N 1 1 264.328 3.411 20 30 CGEDMO N#CC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000594994222 347250933 /nfs/dbraw/zinc/25/09/33/347250933.db2.gz IDGJCPIRDNJUIS-UHFFFAOYSA-N 1 1 273.336 3.158 20 30 CGEDMO COc1ccccc1C[NH2+]CC1(C#N)CCCCC1 ZINC000594994856 347251454 /nfs/dbraw/zinc/25/14/54/347251454.db2.gz NUQVFOBITNLWOO-UHFFFAOYSA-N 1 1 258.365 3.259 20 30 CGEDMO C[C@H](C[NH+]1CCCCC1)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594914238 347227947 /nfs/dbraw/zinc/22/79/47/347227947.db2.gz GINWXVPZBYETQO-MRXNPFEDSA-N 1 1 297.446 3.206 20 30 CGEDMO C[C@@H](CNCc1ccc(C2(C#N)CC2)cc1)C[NH+]1CCCC1 ZINC000594924592 347230648 /nfs/dbraw/zinc/23/06/48/347230648.db2.gz KCODTLONFLMROQ-INIZCTEOSA-N 1 1 297.446 3.063 20 30 CGEDMO Cc1ccc(C[N@@H+](C)CCc2ccc(C#N)cc2)o1 ZINC000595292036 347287811 /nfs/dbraw/zinc/28/78/11/347287811.db2.gz OEUFFVKNRPSVNR-UHFFFAOYSA-N 1 1 254.333 3.134 20 30 CGEDMO COCC[N@@H+](CCC1CCC1)Cc1ccc(C#N)cc1 ZINC000595296684 347288024 /nfs/dbraw/zinc/28/80/24/347288024.db2.gz HATQHZOWDMLWAM-UHFFFAOYSA-N 1 1 272.392 3.197 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H]1COC(C)(C)C1 ZINC000595297250 347288692 /nfs/dbraw/zinc/28/86/92/347288692.db2.gz QKZAUUJUEXXUJT-MRXNPFEDSA-N 1 1 270.376 3.114 20 30 CGEDMO N#Cc1ccc(CC[N@@H+]2CCc3c(F)ccc(F)c3C2)cc1 ZINC000595339944 347294212 /nfs/dbraw/zinc/29/42/12/347294212.db2.gz RUQZYSGVTLKQDH-UHFFFAOYSA-N 1 1 298.336 3.437 20 30 CGEDMO CCC[N@@H+](CCc1ccc(C#N)cc1)C[C@H]1CCCCO1 ZINC000595368213 347296931 /nfs/dbraw/zinc/29/69/31/347296931.db2.gz XQDNTIWFUAAOIG-GOSISDBHSA-N 1 1 286.419 3.382 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000595609979 347326456 /nfs/dbraw/zinc/32/64/56/347326456.db2.gz RDECSVJPHCWRHF-LBPRGKRZSA-N 1 1 280.318 3.414 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000595609979 347326459 /nfs/dbraw/zinc/32/64/59/347326459.db2.gz RDECSVJPHCWRHF-LBPRGKRZSA-N 1 1 280.318 3.414 20 30 CGEDMO CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595611989 347327136 /nfs/dbraw/zinc/32/71/36/347327136.db2.gz RASJQOPHDWCAMS-CABCVRRESA-N 1 1 299.418 3.202 20 30 CGEDMO CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595611989 347327137 /nfs/dbraw/zinc/32/71/37/347327137.db2.gz RASJQOPHDWCAMS-CABCVRRESA-N 1 1 299.418 3.202 20 30 CGEDMO COc1cccc([C@@H](C)[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595615414 347327544 /nfs/dbraw/zinc/32/75/44/347327544.db2.gz QTBNUHAAHKPVJJ-KGLIPLIRSA-N 1 1 258.365 3.382 20 30 CGEDMO N#CC[C@H]1CCC[N@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000595613374 347327928 /nfs/dbraw/zinc/32/79/28/347327928.db2.gz CEEKRHSHGFMSKH-MLGOLLRUSA-N 1 1 258.340 3.439 20 30 CGEDMO CC(C)(C)OC(=O)CCCC[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595620255 347328691 /nfs/dbraw/zinc/32/86/91/347328691.db2.gz LEAPIWMBJJSHHO-AWEZNQCLSA-N 1 1 280.412 3.124 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595627175 347330476 /nfs/dbraw/zinc/33/04/76/347330476.db2.gz WHIFQZIWMGXEDR-IBGZPJMESA-N 1 1 298.430 3.489 20 30 CGEDMO C=CC[N@H+](CCCCC(C)(C)C#N)[C@H](C)COC ZINC000595638305 347330805 /nfs/dbraw/zinc/33/08/05/347330805.db2.gz FXJKQPXZTRGPFD-CQSZACIVSA-N 1 1 252.402 3.229 20 30 CGEDMO CC1(C)C[C@@H]([N@H+](Cc2ccccc2)CC2(C#N)CC2)CO1 ZINC000595636903 347331106 /nfs/dbraw/zinc/33/11/06/347331106.db2.gz KBZRICWOQOYYDW-MRXNPFEDSA-N 1 1 284.403 3.360 20 30 CGEDMO CC1(C)C[C@@H]([N@@H+](Cc2ccccc2)CC2(C#N)CC2)CO1 ZINC000595636903 347331112 /nfs/dbraw/zinc/33/11/12/347331112.db2.gz KBZRICWOQOYYDW-MRXNPFEDSA-N 1 1 284.403 3.360 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000595661222 347335380 /nfs/dbraw/zinc/33/53/80/347335380.db2.gz XINDSWSPEWICNM-WMLDXEAASA-N 1 1 298.386 3.060 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000595661222 347335385 /nfs/dbraw/zinc/33/53/85/347335385.db2.gz XINDSWSPEWICNM-WMLDXEAASA-N 1 1 298.386 3.060 20 30 CGEDMO C[C@@H]1COC2(CCCC2)C[N@H+]1Cc1ccc(C#N)cc1 ZINC000595816508 347359279 /nfs/dbraw/zinc/35/92/79/347359279.db2.gz XUEOCIRGNBAESN-CQSZACIVSA-N 1 1 270.376 3.092 20 30 CGEDMO C[N@H+]1CCN([C@H](C#N)c2ccccc2)CC12CCCCC2 ZINC000595510051 347313432 /nfs/dbraw/zinc/31/34/32/347313432.db2.gz JMNQXPOOIOJEJY-QGZVFWFLSA-N 1 1 283.419 3.202 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCOCC23CCCCC3)cc1 ZINC000595522185 347315068 /nfs/dbraw/zinc/31/50/68/347315068.db2.gz ZHQIGDMAODFRKT-UHFFFAOYSA-N 1 1 284.403 3.136 20 30 CGEDMO CC(C)(CC#N)CNc1[nH+]ccc2c(N)cccc21 ZINC000596266187 347407673 /nfs/dbraw/zinc/40/76/73/347407673.db2.gz ZCGSYNDKEJTOQG-UHFFFAOYSA-N 1 1 254.337 3.169 20 30 CGEDMO C[C@H](c1ccc2c(c1)CCC2)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595841350 347365251 /nfs/dbraw/zinc/36/52/51/347365251.db2.gz KOKNPQOSMYRKHW-DYVFJYSZSA-N 1 1 254.377 3.472 20 30 CGEDMO CC[C@H](OCC[N@@H+]1CC[C@](C)(C#N)C1)c1ccccc1 ZINC000595842970 347366715 /nfs/dbraw/zinc/36/67/15/347366715.db2.gz XBIIAVAQUGZFLO-DLBZAZTESA-N 1 1 272.392 3.390 20 30 CGEDMO CC[C@H](OCC[N@H+]1CC[C@](C)(C#N)C1)c1ccccc1 ZINC000595842970 347366716 /nfs/dbraw/zinc/36/67/16/347366716.db2.gz XBIIAVAQUGZFLO-DLBZAZTESA-N 1 1 272.392 3.390 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C(=O)OCC)c1ccccc1 ZINC000595845649 347367526 /nfs/dbraw/zinc/36/75/26/347367526.db2.gz RYZWELJNXULMQS-BBWFWOEESA-N 1 1 285.387 3.474 20 30 CGEDMO N#Cc1cnccc1C[N@H+]1CCCC[C@@H]1CC1CCC1 ZINC000595870643 347369365 /nfs/dbraw/zinc/36/93/65/347369365.db2.gz IGJMIKHGKHRGIT-QGZVFWFLSA-N 1 1 269.392 3.498 20 30 CGEDMO C[C@@]1(C(F)F)C[N@H+](CCC2(C#N)CCCCC2)CCO1 ZINC000595917913 347372783 /nfs/dbraw/zinc/37/27/83/347372783.db2.gz PLCWIUIWPRIMCP-AWEZNQCLSA-N 1 1 286.366 3.207 20 30 CGEDMO C[C@@]1(C(F)F)C[N@@H+](CCC2(C#N)CCCCC2)CCO1 ZINC000595917913 347372785 /nfs/dbraw/zinc/37/27/85/347372785.db2.gz PLCWIUIWPRIMCP-AWEZNQCLSA-N 1 1 286.366 3.207 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000595913157 347372814 /nfs/dbraw/zinc/37/28/14/347372814.db2.gz CGPFWBIGUARMEZ-BFQNTYOBSA-N 1 1 294.345 3.364 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000595913157 347372815 /nfs/dbraw/zinc/37/28/15/347372815.db2.gz CGPFWBIGUARMEZ-BFQNTYOBSA-N 1 1 294.345 3.364 20 30 CGEDMO COCc1csc(C[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000596980000 347523754 /nfs/dbraw/zinc/52/37/54/347523754.db2.gz RMNYDNGCGKYAHN-UHFFFAOYSA-N 1 1 286.400 3.398 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000597178245 347545343 /nfs/dbraw/zinc/54/53/43/347545343.db2.gz WPMZSHPFGDPONC-CYBMUJFWSA-N 1 1 286.404 3.059 20 30 CGEDMO C[C@@]1(C#N)CCC[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597080177 347534019 /nfs/dbraw/zinc/53/40/19/347534019.db2.gz JIUJGXSBHDGLCN-KRWDZBQOSA-N 1 1 279.387 3.367 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597080177 347534024 /nfs/dbraw/zinc/53/40/24/347534024.db2.gz JIUJGXSBHDGLCN-KRWDZBQOSA-N 1 1 279.387 3.367 20 30 CGEDMO C[C@@H](CO)[N@H+](Cc1ccc(C2(C#N)CC2)cc1)CC1CCC1 ZINC000597120373 347537553 /nfs/dbraw/zinc/53/75/53/347537553.db2.gz GMEZWUBZTORWTF-HNNXBMFYSA-N 1 1 298.430 3.225 20 30 CGEDMO CC[N@H+](CCCN(C)C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597126972 347537614 /nfs/dbraw/zinc/53/76/14/347537614.db2.gz FUEFUAGDQDFLIW-UHFFFAOYSA-N 1 1 285.435 3.015 20 30 CGEDMO CC[N@@H+](CCCN(C)C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597126972 347537617 /nfs/dbraw/zinc/53/76/17/347537617.db2.gz FUEFUAGDQDFLIW-UHFFFAOYSA-N 1 1 285.435 3.015 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3CC[C@@H]4C[C@@H]4C3)cc2)CC1 ZINC000597222063 347556929 /nfs/dbraw/zinc/55/69/29/347556929.db2.gz BQQJUQQKKVCMAZ-HUUCEWRRSA-N 1 1 252.361 3.084 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000597231488 347559039 /nfs/dbraw/zinc/55/90/39/347559039.db2.gz YGOFIIYVNCBJPL-GOSISDBHSA-N 1 1 277.371 3.484 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000597231488 347559043 /nfs/dbraw/zinc/55/90/43/347559043.db2.gz YGOFIIYVNCBJPL-GOSISDBHSA-N 1 1 277.371 3.484 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](CCCCCOc2ccccc2)C1 ZINC000597230432 347559136 /nfs/dbraw/zinc/55/91/36/347559136.db2.gz GOPHRTPWAQCMPO-KRWDZBQOSA-N 1 1 272.392 3.471 20 30 CGEDMO Cc1cc(NC(=O)CC2(C#N)CCCCC2)cn2cc[nH+]c12 ZINC000597698426 347588608 /nfs/dbraw/zinc/58/86/08/347588608.db2.gz QPGYZIYEWAEWOW-UHFFFAOYSA-N 1 1 296.374 3.445 20 30 CGEDMO C[N@@H+]1CCCC[C@H](CN[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000599071799 347714668 /nfs/dbraw/zinc/71/46/68/347714668.db2.gz TXKJMLASHPEZPS-VQIMIIECSA-N 1 1 297.446 3.257 20 30 CGEDMO C[N@H+]1CCCC[C@H](CN[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000599071799 347714670 /nfs/dbraw/zinc/71/46/70/347714670.db2.gz TXKJMLASHPEZPS-VQIMIIECSA-N 1 1 297.446 3.257 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@@H+](Cc1ccco1)C1CCCC1 ZINC000598586414 347666753 /nfs/dbraw/zinc/66/67/53/347666753.db2.gz UDZBLDZKBQILBA-OAHLLOKOSA-N 1 1 290.407 3.325 20 30 CGEDMO Cc1ccccc1[C@H]1CCC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598585746 347666996 /nfs/dbraw/zinc/66/69/96/347666996.db2.gz KQALIAGKNMQROC-NVXWUHKLSA-N 1 1 286.419 3.433 20 30 CGEDMO Cc1nc(C)c([C@H](C)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N)s1 ZINC000598589139 347667858 /nfs/dbraw/zinc/66/78/58/347667858.db2.gz RAFOYFRAOCPIRG-AAEUAGOBSA-N 1 1 295.452 3.054 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000598618978 347672286 /nfs/dbraw/zinc/67/22/86/347672286.db2.gz TUDQJNMMWFGZPU-DLBZAZTESA-N 1 1 286.419 3.167 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCC3(CC3)CC2)c([N+](=O)[O-])c1 ZINC000599672164 347762944 /nfs/dbraw/zinc/76/29/44/347762944.db2.gz BQFASEGMTCKYLM-UHFFFAOYSA-N 1 1 285.347 3.233 20 30 CGEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCCC2(CC2)CC1 ZINC000599673056 347762994 /nfs/dbraw/zinc/76/29/94/347762994.db2.gz LRIXMPSQTXGEGB-MRXNPFEDSA-N 1 1 298.386 3.038 20 30 CGEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCCC2(CC2)CC1 ZINC000599673056 347762996 /nfs/dbraw/zinc/76/29/96/347762996.db2.gz LRIXMPSQTXGEGB-MRXNPFEDSA-N 1 1 298.386 3.038 20 30 CGEDMO CCC(O)(CC)C[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000599672544 347763030 /nfs/dbraw/zinc/76/30/30/347763030.db2.gz FPRNJMJBXTWKOL-UHFFFAOYSA-N 1 1 280.799 3.195 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCS[C@H](C)[C@@H]2C)cc1C#N ZINC000599304052 347733826 /nfs/dbraw/zinc/73/38/26/347733826.db2.gz PKBNOTVFAFTWGN-QWHCGFSZSA-N 1 1 260.406 3.193 20 30 CGEDMO COC[C@H]([NH2+]Cc1ccc(C)c(C#N)c1)c1ccc(C)o1 ZINC000599358733 347739851 /nfs/dbraw/zinc/73/98/51/347739851.db2.gz HAZNIWWZIYNYQY-INIZCTEOSA-N 1 1 284.359 3.245 20 30 CGEDMO Cc1ccc(C[N@H+](C)[C@@H](CO)CC(C)(C)C)cc1C#N ZINC000599432745 347744512 /nfs/dbraw/zinc/74/45/12/347744512.db2.gz BLKSINVGAYHOBU-MRXNPFEDSA-N 1 1 274.408 3.096 20 30 CGEDMO Cc1ccc(C[N@H+](Cc2cnn(C)c2)CC(C)C)cc1C#N ZINC000599437835 347745643 /nfs/dbraw/zinc/74/56/43/347745643.db2.gz RXLAUIROTTZXRU-UHFFFAOYSA-N 1 1 296.418 3.258 20 30 CGEDMO C[C@@H]1C[NH+](Cc2cccc(C#N)c2F)C[C@@H](C)C1(F)F ZINC000599514482 347749172 /nfs/dbraw/zinc/74/91/72/347749172.db2.gz JANSBDQMNSZAFZ-GHMZBOCLSA-N 1 1 282.309 3.420 20 30 CGEDMO CC(C)(C#N)CCCC[N@@H+]1Cc2ccc(O)cc2C1 ZINC000599536745 347752710 /nfs/dbraw/zinc/75/27/10/347752710.db2.gz QLSLPXMJYYXGGX-UHFFFAOYSA-N 1 1 258.365 3.428 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1Cc2ccc(O)cc2C1 ZINC000599536745 347752715 /nfs/dbraw/zinc/75/27/15/347752715.db2.gz QLSLPXMJYYXGGX-UHFFFAOYSA-N 1 1 258.365 3.428 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCC(F)(F)C[C@@H]2C)cc1C#N ZINC000599629276 347759609 /nfs/dbraw/zinc/75/96/09/347759609.db2.gz ZLPOBKONKNJQST-LBPRGKRZSA-N 1 1 264.319 3.486 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(OC)c(OC2CC2)c1 ZINC000600152083 347785476 /nfs/dbraw/zinc/78/54/76/347785476.db2.gz QSSQELHNFISOGA-CYBMUJFWSA-N 1 1 274.364 3.018 20 30 CGEDMO N#CC1(c2ccc(Cn3c[nH+]c4c3CCCC4)cc2)CC1 ZINC000600181296 347789797 /nfs/dbraw/zinc/78/97/97/347789797.db2.gz NMBZGDAJKGKIPX-UHFFFAOYSA-N 1 1 277.371 3.365 20 30 CGEDMO COc1cc(C[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)ccc1C#N ZINC000600182366 347790336 /nfs/dbraw/zinc/79/03/36/347790336.db2.gz AZPNGAWEMAQKSI-TXEJJXNPSA-N 1 1 294.345 3.290 20 30 CGEDMO N#Cc1csc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC000600190192 347791712 /nfs/dbraw/zinc/79/17/12/347791712.db2.gz MYBWRZMLRFARRP-NEPJUHHUSA-N 1 1 264.419 3.090 20 30 CGEDMO C[N@H+](Cc1ccc2c(c1)OC(F)(F)O2)[C@H]1CCC[C@H]1C#N ZINC000600860596 347841807 /nfs/dbraw/zinc/84/18/07/347841807.db2.gz XYIBLRIRMFASTQ-RYUDHWBXSA-N 1 1 294.301 3.132 20 30 CGEDMO C[N@@H+](Cc1ccc2c(c1)OC(F)(F)O2)[C@H]1CCC[C@H]1C#N ZINC000600860596 347841808 /nfs/dbraw/zinc/84/18/08/347841808.db2.gz XYIBLRIRMFASTQ-RYUDHWBXSA-N 1 1 294.301 3.132 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C)Cc1ccc(F)cc1F ZINC000602436852 347957984 /nfs/dbraw/zinc/95/79/84/347957984.db2.gz RQQDJJBBTSQPCI-NSHDSACASA-N 1 1 252.308 3.336 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)CC1CCSCC1 ZINC000602437584 347958488 /nfs/dbraw/zinc/95/84/88/347958488.db2.gz CLWPKQNPWVSRRQ-UHFFFAOYSA-N 1 1 260.406 3.133 20 30 CGEDMO CC[C@@](C)(C[N@@H+](Cc1ccc(C#N)cc1)C1CC1)OC ZINC000602442468 347958753 /nfs/dbraw/zinc/95/87/53/347958753.db2.gz YWRXYGRXPFEYRN-KRWDZBQOSA-N 1 1 272.392 3.338 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cccc(C#N)n2)[C@H]2CCCC[C@H]12 ZINC000602444336 347959081 /nfs/dbraw/zinc/95/90/81/347959081.db2.gz GPAIOEFFZWMLBW-XYPHTWIQSA-N 1 1 269.392 3.354 20 30 CGEDMO Cc1ccccc1CN1CCC[N@H+](C[C@H](C)CCC#N)CC1 ZINC000602442102 347959195 /nfs/dbraw/zinc/95/91/95/347959195.db2.gz UUFXITIVVADURT-QGZVFWFLSA-N 1 1 299.462 3.443 20 30 CGEDMO Cc1ccccc1C[N@H+]1CCCN(C[C@H](C)CCC#N)CC1 ZINC000602442102 347959196 /nfs/dbraw/zinc/95/91/96/347959196.db2.gz UUFXITIVVADURT-QGZVFWFLSA-N 1 1 299.462 3.443 20 30 CGEDMO Cc1ccccc1C[N@@H+]1CCCN(C[C@H](C)CCC#N)CC1 ZINC000602442102 347959200 /nfs/dbraw/zinc/95/92/00/347959200.db2.gz UUFXITIVVADURT-QGZVFWFLSA-N 1 1 299.462 3.443 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602441764 347959409 /nfs/dbraw/zinc/95/94/09/347959409.db2.gz ZPLORNFAKFNNAA-CYBMUJFWSA-N 1 1 287.363 3.499 20 30 CGEDMO C[C@H](CCC#N)C[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000602447850 347959926 /nfs/dbraw/zinc/95/99/26/347959926.db2.gz GUQCQTHVSHAXNC-GDBMZVCRSA-N 1 1 276.380 3.200 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)n1 ZINC000602448388 347960118 /nfs/dbraw/zinc/96/01/18/347960118.db2.gz GQFFRFNEBJLPPQ-GOSISDBHSA-N 1 1 295.361 3.299 20 30 CGEDMO CCC[N@@H+](C[C@H](C)CCC#N)C[C@@H]1CCCCO1 ZINC000602463595 347962196 /nfs/dbraw/zinc/96/21/96/347962196.db2.gz IDIWEJMMOCMCAI-CABCVRRESA-N 1 1 252.402 3.207 20 30 CGEDMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1cccc(C#N)n1 ZINC000602473184 347963586 /nfs/dbraw/zinc/96/35/86/347963586.db2.gz LNQCXSLLUMWZGL-HOCLYGCPSA-N 1 1 277.371 3.331 20 30 CGEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](C)CCC#N)C1(C)C ZINC000602474359 347965093 /nfs/dbraw/zinc/96/50/93/347965093.db2.gz UWTDIILJPQDOCX-BFHYXJOUSA-N 1 1 252.402 3.062 20 30 CGEDMO CCC[C@H](C)[C@H]1CCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602486981 347967746 /nfs/dbraw/zinc/96/77/46/347967746.db2.gz XQBRIFISKLQUQF-XJKSGUPXSA-N 1 1 257.381 3.354 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000602485351 347967876 /nfs/dbraw/zinc/96/78/76/347967876.db2.gz SEYZXWKDJOKBLZ-CQSZACIVSA-N 1 1 259.397 3.124 20 30 CGEDMO CC(C)([NH2+]Cc1cccc(C#N)n1)c1ccc(F)c(F)c1 ZINC000602565471 347983717 /nfs/dbraw/zinc/98/37/17/347983717.db2.gz QLTODWLLYOQFLP-UHFFFAOYSA-N 1 1 287.313 3.256 20 30 CGEDMO COCC[C@@H]1CCCC[N@@H+](C[C@@H](C)CCC#N)C1 ZINC000602611265 347993937 /nfs/dbraw/zinc/99/39/37/347993937.db2.gz KXUBWJGULASHME-GJZGRUSLSA-N 1 1 252.402 3.065 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000602620114 347995344 /nfs/dbraw/zinc/99/53/44/347995344.db2.gz UTMKEVVRRHTVJJ-RHSMWYFYSA-N 1 1 270.376 3.058 20 30 CGEDMO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602619552 347995420 /nfs/dbraw/zinc/99/54/20/347995420.db2.gz HYBXKOWXAAEVCY-MFKMUULPSA-N 1 1 283.297 3.116 20 30 CGEDMO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602619552 347995422 /nfs/dbraw/zinc/99/54/22/347995422.db2.gz HYBXKOWXAAEVCY-MFKMUULPSA-N 1 1 283.297 3.116 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000602623228 347996156 /nfs/dbraw/zinc/99/61/56/347996156.db2.gz WLVXTQMBBSKLJC-QAPCUYQASA-N 1 1 284.403 3.448 20 30 CGEDMO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cc(C2CC2)no1 ZINC000602639537 347998455 /nfs/dbraw/zinc/99/84/55/347998455.db2.gz KDGWHUJNTMVKEN-MRXNPFEDSA-N 1 1 279.343 3.201 20 30 CGEDMO C[C@H](CCC#N)C[NH2+]C[C@@H]1CCCN1C1CCCCC1 ZINC000602645517 347999603 /nfs/dbraw/zinc/99/96/03/347999603.db2.gz JNEUPNLKQZKPOJ-WBVHZDCISA-N 1 1 277.456 3.313 20 30 CGEDMO CC(C)(C)[C@H]1CCC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602645235 347999918 /nfs/dbraw/zinc/99/99/18/347999918.db2.gz QOPYYEZIQGTNTE-ZDUSSCGKSA-N 1 1 257.381 3.211 20 30 CGEDMO CC(C)O[C@H](C[NH2+]CC1(C#N)CC1)c1ccccc1 ZINC000602643250 348000009 /nfs/dbraw/zinc/00/00/09/348000009.db2.gz PCPLBMNIOFXUOD-OAHLLOKOSA-N 1 1 258.365 3.046 20 30 CGEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1C[C@@H](C)CCC#N ZINC000602663671 348003575 /nfs/dbraw/zinc/00/35/75/348003575.db2.gz DNFLFGXROAEURV-SMDDNHRTSA-N 1 1 260.385 3.103 20 30 CGEDMO N#Cc1cccc(CNc2ccc(C3CCC3)c[nH+]2)n1 ZINC000602675710 348006500 /nfs/dbraw/zinc/00/65/00/348006500.db2.gz IEIORQWFIRIAPB-UHFFFAOYSA-N 1 1 264.332 3.228 20 30 CGEDMO CC(C)C[C@]1(C)CCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602678092 348007554 /nfs/dbraw/zinc/00/75/54/348007554.db2.gz BXHASGROQHYHIR-INIZCTEOSA-N 1 1 257.381 3.354 20 30 CGEDMO CC[C@](C)(C[N@@H+](C)[C@H](C)c1cccc(C#N)c1)OC ZINC000602691174 348009872 /nfs/dbraw/zinc/00/98/72/348009872.db2.gz DGWKCGIPYMKBPG-CZUORRHYSA-N 1 1 260.381 3.366 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)[C@H](c1nccn1C)C1CC1 ZINC000602694266 348010299 /nfs/dbraw/zinc/01/02/99/348010299.db2.gz YPLUWIKZOWLVOV-DYVFJYSZSA-N 1 1 294.402 3.436 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)[C@H](c1nccn1C)C1CC1 ZINC000602694266 348010300 /nfs/dbraw/zinc/01/03/00/348010300.db2.gz YPLUWIKZOWLVOV-DYVFJYSZSA-N 1 1 294.402 3.436 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1C[C@@H](C)OC2(CCCCC2)C1 ZINC000602712962 348015882 /nfs/dbraw/zinc/01/58/82/348015882.db2.gz WWIJJBLYUOZWNL-LSDHHAIUSA-N 1 1 264.413 3.350 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000602716899 348016598 /nfs/dbraw/zinc/01/65/98/348016598.db2.gz LEFURHPTDSVTFP-OAGGEKHMSA-N 1 1 264.413 3.207 20 30 CGEDMO CC[N@H+](CC(=O)Nc1c(C)cccc1C)CC1(CC#N)CC1 ZINC000602796386 348030189 /nfs/dbraw/zinc/03/01/89/348030189.db2.gz YGSMBUPQYLLYHI-UHFFFAOYSA-N 1 1 299.418 3.258 20 30 CGEDMO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)CC1(CC#N)CC1 ZINC000602796386 348030192 /nfs/dbraw/zinc/03/01/92/348030192.db2.gz YGSMBUPQYLLYHI-UHFFFAOYSA-N 1 1 299.418 3.258 20 30 CGEDMO C=C(C)C[C@H]([NH2+][C@H](C)CCCC(F)(F)F)C(=O)OC ZINC000602733987 348020946 /nfs/dbraw/zinc/02/09/46/348020946.db2.gz MCGKJJHLAJTEAV-MNOVXSKESA-N 1 1 281.318 3.205 20 30 CGEDMO COCc1cc(C#N)ccc1N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000603403466 348079789 /nfs/dbraw/zinc/07/97/89/348079789.db2.gz NWRDXANZKGEYCS-MSOLQXFVSA-N 1 1 299.418 3.133 20 30 CGEDMO N#CCC1(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)CC1 ZINC000602795356 348030746 /nfs/dbraw/zinc/03/07/46/348030746.db2.gz APMQMTFYSNVTDG-UHFFFAOYSA-N 1 1 277.371 3.341 20 30 CGEDMO C[C@@]1(c2ccc(F)cc2)CC[N@@H+](CC2(CC#N)CC2)C1 ZINC000602831170 348034798 /nfs/dbraw/zinc/03/47/98/348034798.db2.gz ZRYWQQHVTUIAKH-MRXNPFEDSA-N 1 1 272.367 3.483 20 30 CGEDMO C[C@@H]1CCC[N@H+](CC2(CC#N)CC2)[C@@H]1C(=O)OC(C)(C)C ZINC000602846562 348036651 /nfs/dbraw/zinc/03/66/51/348036651.db2.gz PDUVBYZNCHESPY-KGLIPLIRSA-N 1 1 292.423 3.122 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CC2(CC#N)CC2)[C@@H]1C(=O)OC(C)(C)C ZINC000602846562 348036654 /nfs/dbraw/zinc/03/66/54/348036654.db2.gz PDUVBYZNCHESPY-KGLIPLIRSA-N 1 1 292.423 3.122 20 30 CGEDMO CCCC[C@@H](CC)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602855157 348037167 /nfs/dbraw/zinc/03/71/67/348037167.db2.gz SPQVLZIPAJYGCP-OWCLPIDISA-N 1 1 265.445 3.121 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](c3cccnc3)C2)c1 ZINC000602857663 348037179 /nfs/dbraw/zinc/03/71/79/348037179.db2.gz XHKSHMVDCCXUDY-SFHVURJKSA-N 1 1 277.371 3.333 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](c3ccc4cccnc4n3)C2)C1 ZINC000602886209 348041003 /nfs/dbraw/zinc/04/10/03/348041003.db2.gz IIAXBJHKRGHEGT-BMFZPTHFSA-N 1 1 292.386 3.111 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cnc(C(=O)OCC)s2)C1 ZINC000602883262 348041025 /nfs/dbraw/zinc/04/10/25/348041025.db2.gz QOJIMUAXTLOREI-GFCCVEGCSA-N 1 1 294.420 3.108 20 30 CGEDMO C[N@@H+](Cc1cccc2cccnc21)[C@H]1CCC[C@@H]1C#N ZINC000602977187 348049537 /nfs/dbraw/zinc/04/95/37/348049537.db2.gz YXQUDSQLGZSWET-ZBFHGGJFSA-N 1 1 265.360 3.359 20 30 CGEDMO C[N@@H+](CCCCOC(C)(C)C)[C@@H]1CCC[C@@H]1C#N ZINC000602979182 348050004 /nfs/dbraw/zinc/05/00/04/348050004.db2.gz ATEJOMYJCOYYHC-ZIAGYGMSSA-N 1 1 252.402 3.206 20 30 CGEDMO COc1cc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)ccc1C ZINC000602981790 348051388 /nfs/dbraw/zinc/05/13/88/348051388.db2.gz JRYFAFLZEAIVJL-HUUCEWRRSA-N 1 1 258.365 3.128 20 30 CGEDMO COc1cc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)ccc1C ZINC000602981790 348051392 /nfs/dbraw/zinc/05/13/92/348051392.db2.gz JRYFAFLZEAIVJL-HUUCEWRRSA-N 1 1 258.365 3.128 20 30 CGEDMO C[N@H+](C[C@@H]1CCC2(CCCC2)O1)[C@@H]1CCC[C@@H]1C#N ZINC000602980839 348051627 /nfs/dbraw/zinc/05/16/27/348051627.db2.gz WHLLMHKDGCCNGO-QLFBSQMISA-N 1 1 262.397 3.102 20 30 CGEDMO C[N@@H+](C[C@@H]1CCC2(CCCC2)O1)[C@@H]1CCC[C@@H]1C#N ZINC000602980839 348051629 /nfs/dbraw/zinc/05/16/29/348051629.db2.gz WHLLMHKDGCCNGO-QLFBSQMISA-N 1 1 262.397 3.102 20 30 CGEDMO CC(C)[C@H](C#N)N1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000610859460 348406250 /nfs/dbraw/zinc/40/62/50/348406250.db2.gz QVLKFEDTWGKRFP-KRWDZBQOSA-N 1 1 297.402 3.099 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)ccn1 ZINC000610991673 348413902 /nfs/dbraw/zinc/41/39/02/348413902.db2.gz CGASTNFGNZHFBW-SFHVURJKSA-N 1 1 295.361 3.299 20 30 CGEDMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1ccnc(C#N)c1 ZINC000610993188 348414797 /nfs/dbraw/zinc/41/47/97/348414797.db2.gz GONDKDSSWZQFJF-CJNGLKHVSA-N 1 1 295.361 3.470 20 30 CGEDMO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1ccnc(C#N)c1 ZINC000610993186 348415311 /nfs/dbraw/zinc/41/53/11/348415311.db2.gz GONDKDSSWZQFJF-BBRMVZONSA-N 1 1 295.361 3.470 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccnc(C#N)c2)[C@H]2CCCC[C@H]12 ZINC000610991977 348415387 /nfs/dbraw/zinc/41/53/87/348415387.db2.gz NTUNLGVAYLBGAO-XYPHTWIQSA-N 1 1 269.392 3.354 20 30 CGEDMO CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000610993745 348416835 /nfs/dbraw/zinc/41/68/35/348416835.db2.gz GLZSPKLMPFCIPR-GOSISDBHSA-N 1 1 279.387 3.406 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](CCC(=O)OCC)C1 ZINC000611038676 348419089 /nfs/dbraw/zinc/41/90/89/348419089.db2.gz XTXYKEAZHCNHPA-CQSZACIVSA-N 1 1 253.386 3.008 20 30 CGEDMO COCC[N@@H+](CC(C)(C)CCC#N)C1CCCC1 ZINC000611257668 348431847 /nfs/dbraw/zinc/43/18/47/348431847.db2.gz BFRGIFUVGNBNCX-UHFFFAOYSA-N 1 1 252.402 3.207 20 30 CGEDMO Cc1cccc(C)c1OCC[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000611091100 348422571 /nfs/dbraw/zinc/42/25/71/348422571.db2.gz FZCICFHTAJREQL-CYBMUJFWSA-N 1 1 272.392 3.306 20 30 CGEDMO Cc1cccc(C)c1OCC[N@H+](C[C@H](C)C#N)C1CC1 ZINC000611091100 348422575 /nfs/dbraw/zinc/42/25/75/348422575.db2.gz FZCICFHTAJREQL-CYBMUJFWSA-N 1 1 272.392 3.306 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C(F)F)C1 ZINC000611180516 348426675 /nfs/dbraw/zinc/42/66/75/348426675.db2.gz YVTBJGGKLHQXQJ-GXFFZTMASA-N 1 1 250.292 3.206 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000611394552 348446548 /nfs/dbraw/zinc/44/65/48/348446548.db2.gz POVCYHQHROMIPR-SJORKVTESA-N 1 1 292.386 3.326 20 30 CGEDMO COc1cccc(C[N@@H+](CC(C)C)CC2(C#N)CC2)c1 ZINC000611429316 348450864 /nfs/dbraw/zinc/45/08/64/348450864.db2.gz OLLJMMHUTXUDJF-UHFFFAOYSA-N 1 1 272.392 3.457 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611577264 348462316 /nfs/dbraw/zinc/46/23/16/348462316.db2.gz HBTQVKGADIHNPA-SMDDNHRTSA-N 1 1 280.318 3.323 20 30 CGEDMO CCc1c(C)[nH+]c2ccccc2c1NCC(C)(C)C#N ZINC000611618117 348463881 /nfs/dbraw/zinc/46/38/81/348463881.db2.gz SAUUOKIDZQMLFW-UHFFFAOYSA-N 1 1 267.376 3.489 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](C[C@@H]2CCc3ccccc3C2)C1 ZINC000612165228 348499266 /nfs/dbraw/zinc/49/92/66/348499266.db2.gz LTJGMDTWAHFUJB-QAPCUYQASA-N 1 1 268.404 3.417 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000612174581 348499889 /nfs/dbraw/zinc/49/98/89/348499889.db2.gz JIPIAACUMUDRLO-HNNXBMFYSA-N 1 1 276.355 3.219 20 30 CGEDMO CC[C@@]1(C)COCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614178952 348656103 /nfs/dbraw/zinc/65/61/03/348656103.db2.gz VCTRBAXTYSUOGD-SFHVURJKSA-N 1 1 286.419 3.489 20 30 CGEDMO COCC[N@@H+](CCC#N)CC1CCC(C(F)(F)F)CC1 ZINC000613537229 348616236 /nfs/dbraw/zinc/61/62/36/348616236.db2.gz XOUCABPVMFXZCG-UHFFFAOYSA-N 1 1 292.345 3.217 20 30 CGEDMO Cc1cc(C)c2c(c1)C[N@@H+](Cc1ccnc(C#N)c1)CC2 ZINC000614415907 348675740 /nfs/dbraw/zinc/67/57/40/348675740.db2.gz BPONZXCOANKKJB-UHFFFAOYSA-N 1 1 277.371 3.128 20 30 CGEDMO Cc1cc(C)c2c(c1)C[N@H+](Cc1ccnc(C#N)c1)CC2 ZINC000614415907 348675743 /nfs/dbraw/zinc/67/57/43/348675743.db2.gz BPONZXCOANKKJB-UHFFFAOYSA-N 1 1 277.371 3.128 20 30 CGEDMO CC[N@@H+](Cc1ccnc(C#N)c1)[C@@H](C)Cc1ccsc1 ZINC000614603453 348686384 /nfs/dbraw/zinc/68/63/84/348686384.db2.gz ZTLDOHGTTSFUEK-ZDUSSCGKSA-N 1 1 285.416 3.468 20 30 CGEDMO CC(C)(C)OCCCC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000616114060 348787790 /nfs/dbraw/zinc/78/77/90/348787790.db2.gz NFUQWYRFZGZUMV-HNNXBMFYSA-N 1 1 252.402 3.207 20 30 CGEDMO C[C@@H]1CCCCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000358403503 233126495 /nfs/dbraw/zinc/12/64/95/233126495.db2.gz WBCFWZYKTRDCDH-GFCCVEGCSA-N 1 1 291.420 3.213 20 30 CGEDMO C[C@H](NCC[N@H+]1CCC[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000358571629 233156926 /nfs/dbraw/zinc/15/69/26/233156926.db2.gz OWECOJXHNNMJBZ-KGLIPLIRSA-N 1 1 289.398 3.080 20 30 CGEDMO C[C@H]([NH2+]CCN1CCC[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000358571629 233156927 /nfs/dbraw/zinc/15/69/27/233156927.db2.gz OWECOJXHNNMJBZ-KGLIPLIRSA-N 1 1 289.398 3.080 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000618888358 349176411 /nfs/dbraw/zinc/17/64/11/349176411.db2.gz WIPMUWILUKVMAE-WMZOPIPTSA-N 1 1 286.419 3.260 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)cn2)[C@@H]1c1ccccc1 ZINC000618904945 349177839 /nfs/dbraw/zinc/17/78/39/349177839.db2.gz NSMYYVQCJMQTPH-DYVFJYSZSA-N 1 1 263.344 3.146 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)[C@@H]1c1ccccc1 ZINC000618904945 349177842 /nfs/dbraw/zinc/17/78/42/349177842.db2.gz NSMYYVQCJMQTPH-DYVFJYSZSA-N 1 1 263.344 3.146 20 30 CGEDMO COCC[N@H+](CCC#N)C[C@H](c1ccccc1)C(C)C ZINC000619424194 349248070 /nfs/dbraw/zinc/24/80/70/349248070.db2.gz HRRDDYJDAOEGNC-KRWDZBQOSA-N 1 1 274.408 3.288 20 30 CGEDMO COCC[N@@H+](CCC#N)C[C@H](c1ccccc1)C(C)C ZINC000619424194 349248075 /nfs/dbraw/zinc/24/80/75/349248075.db2.gz HRRDDYJDAOEGNC-KRWDZBQOSA-N 1 1 274.408 3.288 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000619509246 349255363 /nfs/dbraw/zinc/25/53/63/349255363.db2.gz OBPWGQOXAWMIER-SFHVURJKSA-N 1 1 284.403 3.180 20 30 CGEDMO CC[C@H](C)Oc1cc(C[NH2+]CC2(C#N)CC2)ccc1OC ZINC000619535220 349257656 /nfs/dbraw/zinc/25/76/56/349257656.db2.gz QYISCZHRDRSZNP-ZDUSSCGKSA-N 1 1 288.391 3.266 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)[C@@H](C)C1 ZINC000619655372 349267759 /nfs/dbraw/zinc/26/77/59/349267759.db2.gz BBXUFIFNPDRKBT-YOEHRIQHSA-N 1 1 286.419 3.487 20 30 CGEDMO C[C@H](C1CCCCC1)[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000619785621 349285432 /nfs/dbraw/zinc/28/54/32/349285432.db2.gz JSXWPLCBUIHGOZ-CYBMUJFWSA-N 1 1 257.381 3.354 20 30 CGEDMO C=CCCCN(C)C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000624547315 350063507 /nfs/dbraw/zinc/06/35/07/350063507.db2.gz ZYBNJOJEWZPLOO-MRXNPFEDSA-N 1 1 293.455 3.001 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000625535955 350182142 /nfs/dbraw/zinc/18/21/42/350182142.db2.gz YAUITCWTTZPRMC-DOTOQJQBSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CC(=O)Nc2cccc(SC)c2)C1 ZINC000625699134 350197256 /nfs/dbraw/zinc/19/72/56/350197256.db2.gz AIVDTZBSEKQDRE-CYBMUJFWSA-N 1 1 290.432 3.245 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2nc(-c3ccccc3C)no2)C1 ZINC000625699208 350197515 /nfs/dbraw/zinc/19/75/15/350197515.db2.gz BFWOFQOPWWMMFQ-AWEZNQCLSA-N 1 1 283.375 3.443 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CC(=O)Nc2c(C)cccc2C)C1 ZINC000625699919 350198273 /nfs/dbraw/zinc/19/82/73/350198273.db2.gz DXWBXKHPMZZFDE-OAHLLOKOSA-N 1 1 272.392 3.140 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)C1 ZINC000625701583 350198662 /nfs/dbraw/zinc/19/86/62/350198662.db2.gz KSYWKJVCPYZTRO-CQSZACIVSA-N 1 1 295.386 3.247 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](CCC(=O)N2CCCc3ccccc32)C1 ZINC000625703229 350199536 /nfs/dbraw/zinc/19/95/36/350199536.db2.gz RLXBMWSQXDDVSV-MRXNPFEDSA-N 1 1 298.430 3.254 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CCC1 ZINC000628544157 350573573 /nfs/dbraw/zinc/57/35/73/350573573.db2.gz MLOHSJUOCIRPMT-INIZCTEOSA-N 1 1 290.451 3.256 20 30 CGEDMO C=CC[NH+]1CCC(N[C@H](CCC)c2cc(C)ccn2)CC1 ZINC000631579073 351075277 /nfs/dbraw/zinc/07/52/77/351075277.db2.gz BUXWLPPUJVZJLN-QGZVFWFLSA-N 1 1 287.451 3.471 20 30 CGEDMO N#Cc1ccc(CN2C[C@H]3CCC[N@H+]3Cc3ccccc32)o1 ZINC000291455506 198027080 /nfs/dbraw/zinc/02/70/80/198027080.db2.gz CUNZQWJHBGLNAU-OAHLLOKOSA-N 1 1 293.370 3.136 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1nc(C)ccc1O ZINC000119252525 370660220 /nfs/dbraw/zinc/66/02/20/370660220.db2.gz PNQUBHSGKUJWPR-UHFFFAOYSA-N 1 1 295.386 3.380 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)o1 ZINC000367441375 234217514 /nfs/dbraw/zinc/21/75/14/234217514.db2.gz UJMDGHSOJOLQJT-HNNXBMFYSA-N 1 1 284.334 3.497 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000292372037 198262509 /nfs/dbraw/zinc/26/25/09/198262509.db2.gz RARPRZGAOGZDKS-CVEARBPZSA-N 1 1 297.446 3.425 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000368652174 234329589 /nfs/dbraw/zinc/32/95/89/234329589.db2.gz YLCYNOROYGAESB-OAHLLOKOSA-N 1 1 295.361 3.157 20 30 CGEDMO COc1cc(C[N@@H+](C)[C@@H](C)c2ccc(C#N)cc2)ccc1O ZINC000156834222 188283981 /nfs/dbraw/zinc/28/39/81/188283981.db2.gz FLSLNZOORPCTDR-ZDUSSCGKSA-N 1 1 296.370 3.465 20 30 CGEDMO C[N@@H+](CCCOc1ccccc1)CCC(C)(C)C#N ZINC000157651294 188330880 /nfs/dbraw/zinc/33/08/80/188330880.db2.gz LJOFGGRIVNVZGN-UHFFFAOYSA-N 1 1 260.381 3.327 20 30 CGEDMO C#CC[C@H]([NH2+]Cc1c(C)onc1CC)c1ccccc1 ZINC000271706377 191283968 /nfs/dbraw/zinc/28/39/68/191283968.db2.gz NORQOGFCNCLDLO-KRWDZBQOSA-N 1 1 268.360 3.400 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000163371645 188605841 /nfs/dbraw/zinc/60/58/41/188605841.db2.gz CHQQSCDIYDLYKU-LBPRGKRZSA-N 1 1 254.717 3.388 20 30 CGEDMO CC(C)c1nnc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)[nH]1 ZINC000271878806 191386638 /nfs/dbraw/zinc/38/66/38/191386638.db2.gz OTEZBXJJHARKIH-VXGBXAGGSA-N 1 1 283.379 3.212 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCSC[C@@H]2C2CCC2)c1 ZINC000419359856 283151603 /nfs/dbraw/zinc/15/16/03/283151603.db2.gz KXEWKPTVVOXYAQ-MRXNPFEDSA-N 1 1 290.407 3.415 20 30 CGEDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000124517444 138375602 /nfs/dbraw/zinc/37/56/02/138375602.db2.gz GIGOFHIEFHBIJJ-GFCCVEGCSA-N 1 1 286.400 3.388 20 30 CGEDMO CC[N@@H+](CCO)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000126935504 138387718 /nfs/dbraw/zinc/38/77/18/138387718.db2.gz WNGQDXJUWHZLLI-UHFFFAOYSA-N 1 1 280.371 3.039 20 30 CGEDMO COc1cc(C[NH2+][C@@H](C)c2nc(C)cs2)ccc1C#N ZINC000234939620 138512100 /nfs/dbraw/zinc/51/21/00/138512100.db2.gz AQSOUBVHUXUPGM-NSHDSACASA-N 1 1 287.388 3.183 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)CC1CCCC1 ZINC000425534908 236257949 /nfs/dbraw/zinc/25/79/49/236257949.db2.gz MNAMYOKJYZZLMN-KDOFPFPSSA-N 1 1 286.419 3.492 20 30 CGEDMO CCn1cc(CC[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cn1 ZINC000425532692 236258070 /nfs/dbraw/zinc/25/80/70/236258070.db2.gz JSQPNCDMAKJWRS-AWEZNQCLSA-N 1 1 282.391 3.010 20 30 CGEDMO Cc1cc(NCCCC[N@@H+]2CCCC[C@H]2C)cc(C#N)n1 ZINC000341541039 216006939 /nfs/dbraw/zinc/00/69/39/216006939.db2.gz CIGRXAQSZSOHKQ-OAHLLOKOSA-N 1 1 286.423 3.328 20 30 CGEDMO CN(C)CC[C@H]([NH2+]Cc1ccc(C#N)s1)C(C)(C)C ZINC000176971261 189017246 /nfs/dbraw/zinc/01/72/46/189017246.db2.gz WIQFHPSVEPKUMW-AWEZNQCLSA-N 1 1 279.453 3.076 20 30 CGEDMO CC[C@@H](C)C[N@@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000177158763 189032863 /nfs/dbraw/zinc/03/28/63/189032863.db2.gz VZLZTYVHAIAGCK-SNVBAGLBSA-N 1 1 293.436 3.153 20 30 CGEDMO CCC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C#N)C1CC1 ZINC000177119793 189029897 /nfs/dbraw/zinc/02/98/97/189029897.db2.gz UDULBPFIWMBPSB-UHFFFAOYSA-N 1 1 291.420 3.050 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000298789613 200535157 /nfs/dbraw/zinc/53/51/57/200535157.db2.gz XFCRKHKJIWLVRB-MRXNPFEDSA-N 1 1 251.333 3.223 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000298789613 200535158 /nfs/dbraw/zinc/53/51/58/200535158.db2.gz XFCRKHKJIWLVRB-MRXNPFEDSA-N 1 1 251.333 3.223 20 30 CGEDMO C[C@@H](c1ccccc1)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000177987079 189083626 /nfs/dbraw/zinc/08/36/26/189083626.db2.gz NNJXTVWGXYYAHQ-KSSFIOAISA-N 1 1 280.371 3.285 20 30 CGEDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)c(F)c2)C12CCC2 ZINC000451829900 240368084 /nfs/dbraw/zinc/36/80/84/240368084.db2.gz BSLLUGJEIPTUIL-CVEARBPZSA-N 1 1 288.366 3.087 20 30 CGEDMO N#Cc1c(F)cccc1N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000301469297 201019940 /nfs/dbraw/zinc/01/99/40/201019940.db2.gz NTEANZANWOMDQR-CQSZACIVSA-N 1 1 287.382 3.374 20 30 CGEDMO CC[N@@H+](CCCn1ccnc1)[C@H](C)c1ccc(C#N)cc1 ZINC000183166024 189348497 /nfs/dbraw/zinc/34/84/97/189348497.db2.gz BXBDAVCTFGASJD-OAHLLOKOSA-N 1 1 282.391 3.228 20 30 CGEDMO CC(=O)c1ccc(C#N)c(NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC000302104885 201344280 /nfs/dbraw/zinc/34/42/80/201344280.db2.gz MYUFROUOAILAIR-UONOGXRCSA-N 1 1 299.418 3.293 20 30 CGEDMO Cn1cccc1[C@@H]1CCCC[N@H+]1CCC(C)(C)C#N ZINC000119960023 370726281 /nfs/dbraw/zinc/72/62/81/370726281.db2.gz LDVWOVXYEKUKSR-HNNXBMFYSA-N 1 1 259.397 3.492 20 30 CGEDMO Cn1cc(Cl)cc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000120091537 370736930 /nfs/dbraw/zinc/73/69/30/370736930.db2.gz XLHVFHXRLUWKGJ-UHFFFAOYSA-N 1 1 273.767 3.182 20 30 CGEDMO Cn1cc(Cl)cc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000120091537 370736933 /nfs/dbraw/zinc/73/69/33/370736933.db2.gz XLHVFHXRLUWKGJ-UHFFFAOYSA-N 1 1 273.767 3.182 20 30 CGEDMO CO[C@@H]1C[C@H]([N@H+](C)Cc2cc(F)ccc2C#N)C12CCC2 ZINC000451850366 240370380 /nfs/dbraw/zinc/37/03/80/240370380.db2.gz LQGGQLBHZFQFTR-JKSUJKDBSA-N 1 1 288.366 3.087 20 30 CGEDMO CO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(F)ccc2C#N)C12CCC2 ZINC000451850366 240370383 /nfs/dbraw/zinc/37/03/83/240370383.db2.gz LQGGQLBHZFQFTR-JKSUJKDBSA-N 1 1 288.366 3.087 20 30 CGEDMO COc1cc(C[NH2+]Cc2ccc(Cl)o2)ccc1C#N ZINC000353222213 219971499 /nfs/dbraw/zinc/97/14/99/219971499.db2.gz QEGCQLRZXSOXFG-UHFFFAOYSA-N 1 1 276.723 3.103 20 30 CGEDMO C[N@@H+](CCOCC1CCCC1)Cc1ccc(C#N)cc1 ZINC000459291536 242055785 /nfs/dbraw/zinc/05/57/85/242055785.db2.gz MZPIGBHSMLJGNG-UHFFFAOYSA-N 1 1 272.392 3.197 20 30 CGEDMO C[C@@H](Cc1cccc(F)c1)[N@H+](C)Cc1nc(C#N)cs1 ZINC000459782373 242229373 /nfs/dbraw/zinc/22/93/73/242229373.db2.gz ZPKPUNNLHHSUMN-NSHDSACASA-N 1 1 289.379 3.217 20 30 CGEDMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000459782373 242229376 /nfs/dbraw/zinc/22/93/76/242229376.db2.gz ZPKPUNNLHHSUMN-NSHDSACASA-N 1 1 289.379 3.217 20 30 CGEDMO C=CC[N@@H+](C)CC(=O)Nc1c(C)cccc1C(C)C ZINC000121469660 370864533 /nfs/dbraw/zinc/86/45/33/370864533.db2.gz PBIKORHYHSYJFO-UHFFFAOYSA-N 1 1 260.381 3.175 20 30 CGEDMO C=CC[N@H+](C)CC(=O)Nc1c(C)cccc1C(C)C ZINC000121469660 370864538 /nfs/dbraw/zinc/86/45/38/370864538.db2.gz PBIKORHYHSYJFO-UHFFFAOYSA-N 1 1 260.381 3.175 20 30 CGEDMO Cc1cccc(N2CC[NH+](Cc3cc(C#N)cs3)CC2)c1 ZINC000121996531 370902501 /nfs/dbraw/zinc/90/25/01/370902501.db2.gz HXGVANFUDUUXIX-UHFFFAOYSA-N 1 1 297.427 3.250 20 30 CGEDMO C=CCC[C@@H](O)C[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000124779857 370927051 /nfs/dbraw/zinc/92/70/51/370927051.db2.gz LYFHVPJAPOUZGS-HUUCEWRRSA-N 1 1 288.416 3.149 20 30 CGEDMO C=CCC[C@H](O)C[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000124779225 370927086 /nfs/dbraw/zinc/92/70/86/370927086.db2.gz LYFHVPJAPOUZGS-GJZGRUSLSA-N 1 1 288.416 3.149 20 30 CGEDMO CC(C)(C)[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000330626176 203054489 /nfs/dbraw/zinc/05/44/89/203054489.db2.gz UYMRPBZRDLUMDN-OAHLLOKOSA-N 1 1 285.391 3.007 20 30 CGEDMO CC[N@@H+](CCCOc1cccc(C#N)c1)CC(C)C ZINC000034674646 368977716 /nfs/dbraw/zinc/97/77/16/368977716.db2.gz KANDOOCSQHTSRJ-UHFFFAOYSA-N 1 1 260.381 3.305 20 30 CGEDMO C=CCNc1nnc(SCC[C@H]2CCCC[N@@H+]2C)s1 ZINC000041295355 369180257 /nfs/dbraw/zinc/18/02/57/369180257.db2.gz JNBSHSFCRYLZIH-LLVKDONJSA-N 1 1 298.481 3.103 20 30 CGEDMO C[N@H+](C/C=C/c1ccc(F)c(F)c1)CC(C)(C)C#N ZINC000574300334 335008794 /nfs/dbraw/zinc/00/87/94/335008794.db2.gz ANZWHEKKDBRJDA-SNAWJCMRSA-N 1 1 264.319 3.460 20 30 CGEDMO C[N@@H+](C/C=C/c1ccc(F)c(F)c1)CC(C)(C)C#N ZINC000574300334 335008795 /nfs/dbraw/zinc/00/87/95/335008795.db2.gz ANZWHEKKDBRJDA-SNAWJCMRSA-N 1 1 264.319 3.460 20 30 CGEDMO CC[N@@H+](Cc1ccc(Br)cc1)C[C@H](C)C#N ZINC000044373673 369261128 /nfs/dbraw/zinc/26/11/28/369261128.db2.gz JUPVRYVAKRJMCV-LLVKDONJSA-N 1 1 281.197 3.431 20 30 CGEDMO CC[N@H+](Cc1ccc(Br)cc1)C[C@H](C)C#N ZINC000044373673 369261131 /nfs/dbraw/zinc/26/11/31/369261131.db2.gz JUPVRYVAKRJMCV-LLVKDONJSA-N 1 1 281.197 3.431 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000276096411 193212822 /nfs/dbraw/zinc/21/28/22/193212822.db2.gz DSZFEFXEZSKMFA-UHFFFAOYSA-N 1 1 299.168 3.365 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000128696352 370966015 /nfs/dbraw/zinc/96/60/15/370966015.db2.gz LNXJTOHBYNKVGZ-HOCLYGCPSA-N 1 1 279.811 3.456 20 30 CGEDMO CC(C)[N@@H+](C)CCNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000054134218 369495831 /nfs/dbraw/zinc/49/58/31/369495831.db2.gz BXNSJTLYWIATAK-UHFFFAOYSA-N 1 1 285.313 3.329 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000058528453 369570396 /nfs/dbraw/zinc/57/03/96/369570396.db2.gz PCIUCBQSDFZPKS-UHFFFAOYSA-N 1 1 251.395 3.425 20 30 CGEDMO Cn1cccc1[C@H]1CCC[N@H+]1CCOc1ccccc1C#N ZINC000060465095 369587861 /nfs/dbraw/zinc/58/78/61/369587861.db2.gz OFHPULVSOYRSMA-QGZVFWFLSA-N 1 1 295.386 3.113 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)Nc1ccccc1SCC=C ZINC000276456434 193338177 /nfs/dbraw/zinc/33/81/77/193338177.db2.gz QENSZOCDZFSXOJ-UHFFFAOYSA-N 1 1 290.432 3.411 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccn(-c2ccccc2F)n1 ZINC000276390959 193312988 /nfs/dbraw/zinc/31/29/88/193312988.db2.gz JHZLPJHHWRJVHW-UHFFFAOYSA-N 1 1 259.328 3.019 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](O)c1ccccc1C(F)(F)F ZINC000276468757 193344232 /nfs/dbraw/zinc/34/42/32/193344232.db2.gz RHHIAPNLDHFTFM-ZDUSSCGKSA-N 1 1 273.298 3.247 20 30 CGEDMO C=CCC[N@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000276481417 193350467 /nfs/dbraw/zinc/35/04/67/193350467.db2.gz STHDGYPRKDVFMZ-UHFFFAOYSA-N 1 1 291.782 3.048 20 30 CGEDMO N#Cc1ccccc1N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000072073555 369814386 /nfs/dbraw/zinc/81/43/86/369814386.db2.gz BJBXJIFTTWZPFB-UHFFFAOYSA-N 1 1 295.361 3.020 20 30 CGEDMO CC[C@H]([NH2+]Cc1ccc(C#N)cc1)c1nccs1 ZINC000078004147 369950572 /nfs/dbraw/zinc/95/05/72/369950572.db2.gz GSQPRIVBZKDXIY-ZDUSSCGKSA-N 1 1 257.362 3.256 20 30 CGEDMO N#CCC[N@H+](Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000077379344 369946016 /nfs/dbraw/zinc/94/60/16/369946016.db2.gz AVWFEOMMZGZRAL-UHFFFAOYSA-N 1 1 286.375 3.464 20 30 CGEDMO N#CCC[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000077379344 369946018 /nfs/dbraw/zinc/94/60/18/369946018.db2.gz AVWFEOMMZGZRAL-UHFFFAOYSA-N 1 1 286.375 3.464 20 30 CGEDMO C[N@@H+](CCCNc1cccc(C#N)n1)C1CCCCC1 ZINC000080117470 369984278 /nfs/dbraw/zinc/98/42/78/369984278.db2.gz WEGDFNFNKLDVLY-UHFFFAOYSA-N 1 1 272.396 3.020 20 30 CGEDMO CC[N@@H+](Cc1c[nH]nc1-c1ccccc1F)C[C@@H](C)C#N ZINC000091983267 370085362 /nfs/dbraw/zinc/08/53/62/370085362.db2.gz SOQIGPHTSPUPAJ-LBPRGKRZSA-N 1 1 286.354 3.197 20 30 CGEDMO CC[N@H+](Cc1c[nH]nc1-c1ccccc1F)C[C@@H](C)C#N ZINC000091983267 370085365 /nfs/dbraw/zinc/08/53/65/370085365.db2.gz SOQIGPHTSPUPAJ-LBPRGKRZSA-N 1 1 286.354 3.197 20 30 CGEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(C#N)cs2)C12CCC2 ZINC000092041113 370090027 /nfs/dbraw/zinc/09/00/27/370090027.db2.gz QZIXQRMOUJSHPW-HUUCEWRRSA-N 1 1 290.432 3.399 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)CC1=CCCOC1 ZINC000092217547 370094385 /nfs/dbraw/zinc/09/43/85/370094385.db2.gz GAVVCZNRWIDVSV-UHFFFAOYSA-N 1 1 273.376 3.030 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@H]1CN1CCCCC1 ZINC000092219257 370095364 /nfs/dbraw/zinc/09/53/64/370095364.db2.gz HIFWHVFESQBZOD-INIZCTEOSA-N 1 1 277.456 3.267 20 30 CGEDMO CC(C)(CCC#N)CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000092219257 370095369 /nfs/dbraw/zinc/09/53/69/370095369.db2.gz HIFWHVFESQBZOD-INIZCTEOSA-N 1 1 277.456 3.267 20 30 CGEDMO C#CCOc1ccccc1C[N@H+](CC)Cc1ccccn1 ZINC000093338853 370118027 /nfs/dbraw/zinc/11/80/27/370118027.db2.gz NWSDLCHDKZZNAB-UHFFFAOYSA-N 1 1 280.371 3.116 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+](CC)Cc1ccccn1 ZINC000093338853 370118028 /nfs/dbraw/zinc/11/80/28/370118028.db2.gz NWSDLCHDKZZNAB-UHFFFAOYSA-N 1 1 280.371 3.116 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](COC)C2)cc1 ZINC000093337362 370118857 /nfs/dbraw/zinc/11/88/57/370118857.db2.gz MULSXNOBKBCVNK-MRXNPFEDSA-N 1 1 275.392 3.110 20 30 CGEDMO CSCC[C@@H](C)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000093558948 370141250 /nfs/dbraw/zinc/14/12/50/370141250.db2.gz XYVBKCHDZLGBKR-SNVBAGLBSA-N 1 1 254.424 3.193 20 30 CGEDMO CC(C)[N@@H+](C)CCNc1ccc(C#N)cc1Br ZINC000134770049 371362626 /nfs/dbraw/zinc/36/26/26/371362626.db2.gz ZRMXHTZGFBALBZ-UHFFFAOYSA-N 1 1 296.212 3.073 20 30 CGEDMO CC#CC[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000134470064 371340112 /nfs/dbraw/zinc/34/01/12/371340112.db2.gz CUNMSFFLJKPKIV-JTQLQIEISA-N 1 1 288.338 3.365 20 30 CGEDMO COc1ccc(C[N@@H+](C2CC2)C2CCCC2)cc1C#N ZINC000135061717 371387053 /nfs/dbraw/zinc/38/70/53/371387053.db2.gz JGUBHALWFZTZCU-UHFFFAOYSA-N 1 1 270.376 3.474 20 30 CGEDMO COc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)o2)cc1F ZINC000135134104 371392996 /nfs/dbraw/zinc/39/29/96/371392996.db2.gz OPFRSGUOCVOTDR-JTQLQIEISA-N 1 1 274.295 3.150 20 30 CGEDMO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)o2)cc1F ZINC000135134127 371393081 /nfs/dbraw/zinc/39/30/81/371393081.db2.gz OPFRSGUOCVOTDR-SNVBAGLBSA-N 1 1 274.295 3.150 20 30 CGEDMO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC000135134429 371393210 /nfs/dbraw/zinc/39/32/10/371393210.db2.gz JHKMSGYUFIMJDQ-GFCCVEGCSA-N 1 1 270.332 3.319 20 30 CGEDMO CC[N@H+](CCC#N)Cc1ccccc1C(C)(C)C#N ZINC000135245121 371406532 /nfs/dbraw/zinc/40/65/32/371406532.db2.gz FJNPDZKXCOSYGH-UHFFFAOYSA-N 1 1 255.365 3.223 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1ccccc1C(C)(C)C#N ZINC000135245121 371406536 /nfs/dbraw/zinc/40/65/36/371406536.db2.gz FJNPDZKXCOSYGH-UHFFFAOYSA-N 1 1 255.365 3.223 20 30 CGEDMO Cc1cnc([C@H](C)[NH2+]Cc2ccc(C#N)cc2)s1 ZINC000134907663 371374321 /nfs/dbraw/zinc/37/43/21/371374321.db2.gz XZKVVABGKOIXHD-NSHDSACASA-N 1 1 257.362 3.174 20 30 CGEDMO CSC[C@@H]1CCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000135478707 371430932 /nfs/dbraw/zinc/43/09/32/371430932.db2.gz CMADMMTZGWLIOF-AWEZNQCLSA-N 1 1 285.416 3.138 20 30 CGEDMO CSC[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000135485408 371432489 /nfs/dbraw/zinc/43/24/89/371432489.db2.gz SKRXYJBERDVTQE-AWEZNQCLSA-N 1 1 264.369 3.025 20 30 CGEDMO CSC[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000135485408 371432496 /nfs/dbraw/zinc/43/24/96/371432496.db2.gz SKRXYJBERDVTQE-AWEZNQCLSA-N 1 1 264.369 3.025 20 30 CGEDMO C=CCCC[N@H+](C)CCC(=O)Nc1ccccc1OCC ZINC000137536054 371499147 /nfs/dbraw/zinc/49/91/47/371499147.db2.gz BEQYOSJPZVPLDN-UHFFFAOYSA-N 1 1 290.407 3.312 20 30 CGEDMO N#Cc1sc(NC[C@H]2CCCC[N@H+]2C2CC2)nc1Cl ZINC000287808794 371707493 /nfs/dbraw/zinc/70/74/93/371707493.db2.gz PSQUQJOSKZWUQK-SNVBAGLBSA-N 1 1 296.827 3.097 20 30 CGEDMO CCC[C@@]1(CO)CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000288933709 371747403 /nfs/dbraw/zinc/74/74/03/371747403.db2.gz WEFYMGJOXONGNW-QGZVFWFLSA-N 1 1 291.822 3.176 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC000156147627 371964331 /nfs/dbraw/zinc/96/43/31/371964331.db2.gz YFCNEVPPJGLMOP-AWEZNQCLSA-N 1 1 266.429 3.064 20 30 CGEDMO CC#CCC[N@@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000155958026 371954812 /nfs/dbraw/zinc/95/48/12/371954812.db2.gz UXAWZAHOBMZQOB-GOSISDBHSA-N 1 1 271.404 3.162 20 30 CGEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000290652997 372034597 /nfs/dbraw/zinc/03/45/97/372034597.db2.gz ZEOHRTRICXBTPW-AWEZNQCLSA-N 1 1 286.404 3.297 20 30 CGEDMO C=C(C)C(C)(C)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000424852835 372104642 /nfs/dbraw/zinc/10/46/42/372104642.db2.gz UHLVSJDOTGHEEN-UHFFFAOYSA-N 1 1 257.337 3.184 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(OC)c2c(c1)OCCO2 ZINC000426569501 372164674 /nfs/dbraw/zinc/16/46/74/372164674.db2.gz AVAYUFKDDYQJES-AWEZNQCLSA-N 1 1 289.375 3.007 20 30 CGEDMO C[C@@H]1CC[N@H+](Cc2cccc(F)c2C#N)CCS1 ZINC000428983385 372296800 /nfs/dbraw/zinc/29/68/00/372296800.db2.gz VIMPTXZNLGPGJH-LLVKDONJSA-N 1 1 264.369 3.025 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cccc(F)c2C#N)CCS1 ZINC000428983385 372296806 /nfs/dbraw/zinc/29/68/06/372296806.db2.gz VIMPTXZNLGPGJH-LLVKDONJSA-N 1 1 264.369 3.025 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428772568 372262645 /nfs/dbraw/zinc/26/26/45/372262645.db2.gz MUTJJALADGCMGA-INIZCTEOSA-N 1 1 285.391 3.153 20 30 CGEDMO COCC(C)(C)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000429252870 372330004 /nfs/dbraw/zinc/33/00/04/372330004.db2.gz IOTFVOQARQZIJE-UHFFFAOYSA-N 1 1 265.784 3.048 20 30 CGEDMO C[C@H]1CC[C@@H]([N@H+](CC#Cc2ccc(Cl)cc2)CCO)C1 ZINC000429768520 372377237 /nfs/dbraw/zinc/37/72/37/372377237.db2.gz SREQQACFGPMPEB-WMLDXEAASA-N 1 1 291.822 3.174 20 30 CGEDMO C[C@@H]1CCSCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000429774567 372377729 /nfs/dbraw/zinc/37/77/29/372377729.db2.gz NALJFUIXTJLOGC-CYBMUJFWSA-N 1 1 263.381 3.005 20 30 CGEDMO N#Cc1ccc(C[N@H+](CCO)C2CCCCC2)c(Cl)c1 ZINC000162888749 372431599 /nfs/dbraw/zinc/43/15/99/372431599.db2.gz GUUOBZFTDRPNEA-UHFFFAOYSA-N 1 1 292.810 3.339 20 30 CGEDMO CCc1noc(C)c1C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000293827799 372494571 /nfs/dbraw/zinc/49/45/71/372494571.db2.gz WVRHZLUIJVAHOF-JTQLQIEISA-N 1 1 287.338 3.407 20 30 CGEDMO C[N@H+](CCc1ccccc1Cl)CC(C)(C)C#N ZINC000433293304 372585493 /nfs/dbraw/zinc/58/54/93/372585493.db2.gz DGRNTEQFMVABNE-UHFFFAOYSA-N 1 1 250.773 3.364 20 30 CGEDMO C[N@@H+](CCc1ccccc1Cl)CC(C)(C)C#N ZINC000433293304 372585498 /nfs/dbraw/zinc/58/54/98/372585498.db2.gz DGRNTEQFMVABNE-UHFFFAOYSA-N 1 1 250.773 3.364 20 30 CGEDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CC(C)(C)C#N ZINC000433299605 372586149 /nfs/dbraw/zinc/58/61/49/372586149.db2.gz BZRKDVPXGDZDFP-GFCCVEGCSA-N 1 1 275.352 3.446 20 30 CGEDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CC(C)(C)C#N ZINC000433299605 372586158 /nfs/dbraw/zinc/58/61/58/372586158.db2.gz BZRKDVPXGDZDFP-GFCCVEGCSA-N 1 1 275.352 3.446 20 30 CGEDMO CC#CCN(C)C(=O)c1ccc(C[N@H+](CC)CCC)cc1 ZINC000294466618 372656059 /nfs/dbraw/zinc/65/60/59/372656059.db2.gz IATAEZXATYCQIB-UHFFFAOYSA-N 1 1 286.419 3.014 20 30 CGEDMO C[C@@H]1CCCC[N@@H+]1CCCN[C@H]1CCc2ccc(C#N)cc21 ZINC000353412322 220068960 /nfs/dbraw/zinc/06/89/60/220068960.db2.gz LSWODKLTWNGFRC-BEFAXECRSA-N 1 1 297.446 3.400 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCCN[C@H]1CCc2ccc(C#N)cc21 ZINC000353412322 220068963 /nfs/dbraw/zinc/06/89/63/220068963.db2.gz LSWODKLTWNGFRC-BEFAXECRSA-N 1 1 297.446 3.400 20 30 CGEDMO C=CCCC[N@@H+](C)Cc1ncc(CSC)s1 ZINC000295411068 372769448 /nfs/dbraw/zinc/76/94/48/372769448.db2.gz ROQQJWJAQYGTSN-UHFFFAOYSA-N 1 1 256.440 3.404 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ncc(CSC)s1 ZINC000295411068 372769457 /nfs/dbraw/zinc/76/94/57/372769457.db2.gz ROQQJWJAQYGTSN-UHFFFAOYSA-N 1 1 256.440 3.404 20 30 CGEDMO C[N@@H+](CCCC(=O)OC(C)(C)C)Cc1ccc(C#N)s1 ZINC000353437949 220082266 /nfs/dbraw/zinc/08/22/66/220082266.db2.gz SUKWKNMJRTWORO-UHFFFAOYSA-N 1 1 294.420 3.173 20 30 CGEDMO CSCCC[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000439481526 372978847 /nfs/dbraw/zinc/97/88/47/372978847.db2.gz IWJKKWPWERIBRX-UHFFFAOYSA-N 1 1 267.825 3.376 20 30 CGEDMO CC1(C)C[N@H+](CC#Cc2ccc(F)cc2)[C@@H]2CCC[C@H]2O1 ZINC000440971277 372995812 /nfs/dbraw/zinc/99/58/12/372995812.db2.gz YEQLVRYTKGTDMS-IAGOWNOFSA-N 1 1 287.378 3.209 20 30 CGEDMO CC1(C)C[N@@H+](CC#Cc2ccc(F)cc2)[C@@H]2CCC[C@H]2O1 ZINC000440971277 372995818 /nfs/dbraw/zinc/99/58/18/372995818.db2.gz YEQLVRYTKGTDMS-IAGOWNOFSA-N 1 1 287.378 3.209 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000440920775 372996295 /nfs/dbraw/zinc/99/62/95/372996295.db2.gz VAIRLFYWGCJWNT-HNNXBMFYSA-N 1 1 298.386 3.203 20 30 CGEDMO COCC[N@@H+](CC#Cc1ccccc1Cl)CC(C)C ZINC000441167636 372997334 /nfs/dbraw/zinc/99/73/34/372997334.db2.gz IDYJKCJSCSZZBT-UHFFFAOYSA-N 1 1 279.811 3.296 20 30 CGEDMO Clc1ccccc1C#CCN1CCC(c2[nH]cc[nH+]2)CC1 ZINC000441182196 373000647 /nfs/dbraw/zinc/00/06/47/373000647.db2.gz ZMCPXXRHBNGQRM-UHFFFAOYSA-N 1 1 299.805 3.294 20 30 CGEDMO C=CC[NH+]1CCN([C@H](CC)c2ccc(F)cc2F)CC1 ZINC000441443348 373015385 /nfs/dbraw/zinc/01/53/85/373015385.db2.gz ZEZOHFXHKFRBFV-MRXNPFEDSA-N 1 1 280.362 3.220 20 30 CGEDMO C[C@H](CC[NH2+][C@H]1CC[C@H](C#N)C1)N(C)Cc1ccccc1 ZINC000442767072 373075324 /nfs/dbraw/zinc/07/53/24/373075324.db2.gz LZBGCHAMSNZNBK-NJAFHUGGSA-N 1 1 285.435 3.179 20 30 CGEDMO Cc1cc(CNC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)ccc1C#N ZINC000443977393 373163491 /nfs/dbraw/zinc/16/34/91/373163491.db2.gz IEWYARIFHSCDDV-GOEBONIOSA-N 1 1 285.435 3.077 20 30 CGEDMO Cc1cc(CNC[C@@H](C)[N@H+]2CCC[C@H](C)C2)ccc1C#N ZINC000443977393 373163499 /nfs/dbraw/zinc/16/34/99/373163499.db2.gz IEWYARIFHSCDDV-GOEBONIOSA-N 1 1 285.435 3.077 20 30 CGEDMO C=CC[C@H]1[N@@H+](CCCC(=O)OC)CCCC1(C)C ZINC000444779375 373271817 /nfs/dbraw/zinc/27/18/17/373271817.db2.gz KYZGXRLSMBAMAG-CYBMUJFWSA-N 1 1 253.386 3.006 20 30 CGEDMO CC[C@@H]1CCCC[C@H]1[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000444675370 373230181 /nfs/dbraw/zinc/23/01/81/373230181.db2.gz LWCWAZIDZLMINP-NVXWUHKLSA-N 1 1 299.418 3.397 20 30 CGEDMO C=CC[C@H]1[N@@H+](CC(=O)Nc2nccs2)CCCC1(C)C ZINC000444793278 373278697 /nfs/dbraw/zinc/27/86/97/373278697.db2.gz RPHRIONNVIOSPN-GFCCVEGCSA-N 1 1 293.436 3.148 20 30 CGEDMO C=CC[C@H]1[N@H+](CC(=O)Nc2nccs2)CCCC1(C)C ZINC000444793278 373278702 /nfs/dbraw/zinc/27/87/02/373278702.db2.gz RPHRIONNVIOSPN-GFCCVEGCSA-N 1 1 293.436 3.148 20 30 CGEDMO CC(C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000444749015 373258771 /nfs/dbraw/zinc/25/87/71/373258771.db2.gz OOCUKMUWJVECAI-MRXNPFEDSA-N 1 1 299.418 3.255 20 30 CGEDMO COc1ccc2c(c1)C[N@@H+](CC#Cc1ccc(F)cc1)CC2 ZINC000446767978 373362652 /nfs/dbraw/zinc/36/26/52/373362652.db2.gz LUTJLAHPEOLWJF-UHFFFAOYSA-N 1 1 295.357 3.244 20 30 CGEDMO COc1ccc2c(c1)C[N@H+](CC#Cc1ccc(F)cc1)CC2 ZINC000446767978 373362658 /nfs/dbraw/zinc/36/26/58/373362658.db2.gz LUTJLAHPEOLWJF-UHFFFAOYSA-N 1 1 295.357 3.244 20 30 CGEDMO C[N@H+]1CCCC(C)(C)[C@H]1CNc1ccc(C#N)cc1 ZINC000447806148 373493884 /nfs/dbraw/zinc/49/38/84/373493884.db2.gz LTHBZVZRZMASMA-OAHLLOKOSA-N 1 1 257.381 3.091 20 30 CGEDMO CN(CC[N@@H+](C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000353643204 220216804 /nfs/dbraw/zinc/21/68/04/220216804.db2.gz JGTVWSDGPXLWQL-UHFFFAOYSA-N 1 1 279.387 3.126 20 30 CGEDMO COc1cccc2c(C[N@H+](C)C[C@H](C)C#N)cccc12 ZINC000449020161 373657069 /nfs/dbraw/zinc/65/70/69/373657069.db2.gz YOFBPHUCHBCUQG-CYBMUJFWSA-N 1 1 268.360 3.440 20 30 CGEDMO COc1cccc2c(C[N@@H+](C)C[C@H](C)C#N)cccc12 ZINC000449020161 373657072 /nfs/dbraw/zinc/65/70/72/373657072.db2.gz YOFBPHUCHBCUQG-CYBMUJFWSA-N 1 1 268.360 3.440 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCCCC1 ZINC000448763784 373640175 /nfs/dbraw/zinc/64/01/75/373640175.db2.gz PHEALKBVGZQABD-HNNXBMFYSA-N 1 1 290.451 3.114 20 30 CGEDMO CC#CCC[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1 ZINC000449224984 373672287 /nfs/dbraw/zinc/67/22/87/373672287.db2.gz JDTJVBGFOHHFCF-KRWDZBQOSA-N 1 1 284.447 3.085 20 30 CGEDMO C[C@@H]1c2cccn2CC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000178294973 373762336 /nfs/dbraw/zinc/76/23/36/373762336.db2.gz ZMJLTMJSPIPKNR-OAHLLOKOSA-N 1 1 295.386 3.205 20 30 CGEDMO C[C@@H]1c2cccn2CC[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000178294973 373762339 /nfs/dbraw/zinc/76/23/39/373762339.db2.gz ZMJLTMJSPIPKNR-OAHLLOKOSA-N 1 1 295.386 3.205 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](O)CC(C)(C)C2)cc1 ZINC000449620589 373835812 /nfs/dbraw/zinc/83/58/12/373835812.db2.gz VYKZSBGWALUKQI-INIZCTEOSA-N 1 1 289.419 3.234 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000449619378 373836053 /nfs/dbraw/zinc/83/60/53/373836053.db2.gz PGQBBYKZWBUWEQ-MRXNPFEDSA-N 1 1 289.419 3.234 20 30 CGEDMO C=CCC[C@H]([NH2+][C@H]1CCC[C@@H]1C1CC1)C(=O)OCC ZINC000449656061 373838108 /nfs/dbraw/zinc/83/81/08/373838108.db2.gz JBUNPAYXXKABAP-ILXRZTDVSA-N 1 1 265.397 3.053 20 30 CGEDMO COc1ccc(C[NH+]2CCC(C#N)CC2)cc1Cl ZINC000179272568 373850598 /nfs/dbraw/zinc/85/05/98/373850598.db2.gz BCGYCKZKBWZDLJ-UHFFFAOYSA-N 1 1 264.756 3.084 20 30 CGEDMO C=CCOc1ccccc1CN(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000449789217 373920935 /nfs/dbraw/zinc/92/09/35/373920935.db2.gz ZFLFCSFZJYLJMQ-QGZVFWFLSA-N 1 1 288.435 3.166 20 30 CGEDMO C[N@@H+](CCCSCC#N)Cc1cc(F)c(F)c(F)c1 ZINC000180515931 374016428 /nfs/dbraw/zinc/01/64/28/374016428.db2.gz VSDUMHLUHXIIBK-UHFFFAOYSA-N 1 1 288.338 3.183 20 30 CGEDMO C=CCC1(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CCCC1 ZINC000449989882 373980277 /nfs/dbraw/zinc/98/02/77/373980277.db2.gz VNRFDDLCMQIYNQ-CABCVRRESA-N 1 1 278.440 3.064 20 30 CGEDMO COc1ccccc1C[C@H]1CCC[N@H+]1CC1(C#N)CCC1 ZINC000450319583 374056861 /nfs/dbraw/zinc/05/68/61/374056861.db2.gz RAZLWTZAYXSTJT-MRXNPFEDSA-N 1 1 284.403 3.396 20 30 CGEDMO COC[C@H](C#N)Nc1ccc([N@@H+]2CCCC[C@@H]2C)cc1C ZINC000181338845 374109191 /nfs/dbraw/zinc/10/91/91/374109191.db2.gz XSJSOCRDPDLNTL-GJZGRUSLSA-N 1 1 287.407 3.324 20 30 CGEDMO COC[C@H](C#N)Nc1ccc([N@H+]2CCCC[C@@H]2C)cc1C ZINC000181338845 374109197 /nfs/dbraw/zinc/10/91/97/374109197.db2.gz XSJSOCRDPDLNTL-GJZGRUSLSA-N 1 1 287.407 3.324 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000181414619 374120062 /nfs/dbraw/zinc/12/00/62/374120062.db2.gz DTHIKYKMRVEHCZ-HOTGVXAUSA-N 1 1 295.471 3.151 20 30 CGEDMO C[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC000181127168 374083975 /nfs/dbraw/zinc/08/39/75/374083975.db2.gz GOPLZEKEPVDGCG-SNVBAGLBSA-N 1 1 279.181 3.305 20 30 CGEDMO C[C@H]1C[C@@H](Nc2cccc(Cl)c2C#N)C[N@H+]1C1CC1 ZINC000450380216 374090888 /nfs/dbraw/zinc/09/08/88/374090888.db2.gz RBOLORNIPXUDFW-WDEREUQCSA-N 1 1 275.783 3.249 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCc1cscn1 ZINC000450455734 374141771 /nfs/dbraw/zinc/14/17/71/374141771.db2.gz VTIPPWDFEKTWNV-IAGOWNOFSA-N 1 1 297.427 3.457 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCc1cscn1 ZINC000450455734 374141777 /nfs/dbraw/zinc/14/17/77/374141777.db2.gz VTIPPWDFEKTWNV-IAGOWNOFSA-N 1 1 297.427 3.457 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCc1cscn1 ZINC000450455736 374142016 /nfs/dbraw/zinc/14/20/16/374142016.db2.gz VTIPPWDFEKTWNV-SJORKVTESA-N 1 1 297.427 3.457 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCc1cscn1 ZINC000450455736 374142021 /nfs/dbraw/zinc/14/20/21/374142021.db2.gz VTIPPWDFEKTWNV-SJORKVTESA-N 1 1 297.427 3.457 20 30 CGEDMO C[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(C#N)c1 ZINC000181860076 374182929 /nfs/dbraw/zinc/18/29/29/374182929.db2.gz XCIRODXSAPEBMF-JQFCIGGWSA-N 1 1 271.408 3.082 20 30 CGEDMO C=CC[N@@H+](CCO[C@H]1CCCCO1)Cc1ccccc1F ZINC000181653562 374150193 /nfs/dbraw/zinc/15/01/93/374150193.db2.gz WPCCUXIKLQRONJ-KRWDZBQOSA-N 1 1 293.382 3.357 20 30 CGEDMO C=CC[N@H+](CCO[C@H]1CCCCO1)Cc1ccccc1F ZINC000181653562 374150200 /nfs/dbraw/zinc/15/02/00/374150200.db2.gz WPCCUXIKLQRONJ-KRWDZBQOSA-N 1 1 293.382 3.357 20 30 CGEDMO N#CC1(C[N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)CCC1 ZINC000450623658 374165513 /nfs/dbraw/zinc/16/55/13/374165513.db2.gz NARPQDHWIHXWTF-OAHLLOKOSA-N 1 1 290.794 3.487 20 30 CGEDMO N#CC1(C[N@@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)CCC1 ZINC000450623658 374165516 /nfs/dbraw/zinc/16/55/16/374165516.db2.gz NARPQDHWIHXWTF-OAHLLOKOSA-N 1 1 290.794 3.487 20 30 CGEDMO C=CC[N@@H+](CCCc1cc(CC)no1)CCc1ccco1 ZINC000450701656 374172699 /nfs/dbraw/zinc/17/26/99/374172699.db2.gz XGSWDXIHLQXPJJ-UHFFFAOYSA-N 1 1 288.391 3.493 20 30 CGEDMO C=C[C@@H]1OCC[C@H]1Nc1cc(C)[nH+]c2c(OC)cccc12 ZINC000450754872 374176559 /nfs/dbraw/zinc/17/65/59/374176559.db2.gz ICUHUODOSFHNKQ-HIFRSBDPSA-N 1 1 284.359 3.307 20 30 CGEDMO Cc1ccnc(NCCC[N@H+](C)Cc2ccccc2)c1C#N ZINC000309570480 374187535 /nfs/dbraw/zinc/18/75/35/374187535.db2.gz CXWBXGJUDWTQBB-UHFFFAOYSA-N 1 1 294.402 3.196 20 30 CGEDMO Cc1ccc(Br)cc1C[N@@H+](C)C[C@H](C)C#N ZINC000313768781 374307111 /nfs/dbraw/zinc/30/71/11/374307111.db2.gz NVFLUAOTXRIUQC-SNVBAGLBSA-N 1 1 281.197 3.349 20 30 CGEDMO Cc1ccc(Br)cc1C[N@H+](C)C[C@H](C)C#N ZINC000313768781 374307117 /nfs/dbraw/zinc/30/71/17/374307117.db2.gz NVFLUAOTXRIUQC-SNVBAGLBSA-N 1 1 281.197 3.349 20 30 CGEDMO CC[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000313854930 374309421 /nfs/dbraw/zinc/30/94/21/374309421.db2.gz NAYZEKPWSQIGQX-ZIAGYGMSSA-N 1 1 285.391 3.007 20 30 CGEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@H]3CCC[C@H]32)c1 ZINC000316018335 374332983 /nfs/dbraw/zinc/33/29/83/374332983.db2.gz ZVGASBMAOSRBPH-NVXWUHKLSA-N 1 1 297.402 3.151 20 30 CGEDMO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1ccccc1OC ZINC000316649653 374334556 /nfs/dbraw/zinc/33/45/56/374334556.db2.gz QMICDHNXTXMQIV-ZDUSSCGKSA-N 1 1 296.370 3.426 20 30 CGEDMO CCC1(CC)CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000316725679 374335784 /nfs/dbraw/zinc/33/57/84/374335784.db2.gz NHLPLVBJOOEJON-AWEZNQCLSA-N 1 1 299.418 3.397 20 30 CGEDMO N#CC1(C[NH+]2CCC(c3noc4cc(F)ccc43)CC2)CC1 ZINC000329838351 374433860 /nfs/dbraw/zinc/43/38/60/374433860.db2.gz MLRFBKLWEVJRMH-UHFFFAOYSA-N 1 1 299.349 3.450 20 30 CGEDMO COc1ccc(C[NH2+]C[C@@H](C)C#N)cc1OCCC(C)C ZINC000183834503 374463663 /nfs/dbraw/zinc/46/36/63/374463663.db2.gz XXPFZHQHTXCEGC-AWEZNQCLSA-N 1 1 290.407 3.369 20 30 CGEDMO CC1(C)C[N@H+](Cc2ccc(C#N)c(F)c2)[C@H]1[C@@H]1CCCO1 ZINC000334153917 206107222 /nfs/dbraw/zinc/10/72/22/206107222.db2.gz PTXMLGZENSREBK-HOTGVXAUSA-N 1 1 288.366 3.087 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)c(F)c2)[C@H]1[C@@H]1CCCO1 ZINC000334153917 206107226 /nfs/dbraw/zinc/10/72/26/206107226.db2.gz PTXMLGZENSREBK-HOTGVXAUSA-N 1 1 288.366 3.087 20 30 CGEDMO C[N@H+]1CCCC[C@H]1CCC(=O)NCC1(O)CCCCCC1 ZINC000330358936 374455657 /nfs/dbraw/zinc/45/56/57/374455657.db2.gz VNJIAUZRHARAPK-HNNXBMFYSA-N 1 1 296.455 3.293 20 30 CGEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1c(C)[nH]nc1C(C)C ZINC000330664212 374487876 /nfs/dbraw/zinc/48/78/76/374487876.db2.gz FRHJOICDFFDMCM-ZDUSSCGKSA-N 1 1 292.427 3.021 20 30 CGEDMO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)n[nH]c1C(C)C ZINC000330664212 374487881 /nfs/dbraw/zinc/48/78/81/374487881.db2.gz FRHJOICDFFDMCM-ZDUSSCGKSA-N 1 1 292.427 3.021 20 30 CGEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1c(C)n[nH]c1C(C)C ZINC000330664212 374487890 /nfs/dbraw/zinc/48/78/90/374487890.db2.gz FRHJOICDFFDMCM-ZDUSSCGKSA-N 1 1 292.427 3.021 20 30 CGEDMO CC[C@H]1[C@@H](C)CC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000185635628 374702503 /nfs/dbraw/zinc/70/25/03/374702503.db2.gz BOSHWSDZCQRHAJ-RDJZCZTQSA-N 1 1 299.418 3.054 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000185952578 374773644 /nfs/dbraw/zinc/77/36/44/374773644.db2.gz NTOODXMYYXNTDV-DJIMGWMZSA-N 1 1 286.419 3.150 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000470774962 374998426 /nfs/dbraw/zinc/99/84/26/374998426.db2.gz VRDBCNKIPXPKFE-WBVHZDCISA-N 1 1 259.393 3.457 20 30 CGEDMO CO[C@]1(C)CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000470920112 375000987 /nfs/dbraw/zinc/00/09/87/375000987.db2.gz OYWRHHPGHNOJIT-MRXNPFEDSA-N 1 1 277.795 3.192 20 30 CGEDMO CO[C@]1(C)CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000470920112 375000993 /nfs/dbraw/zinc/00/09/93/375000993.db2.gz OYWRHHPGHNOJIT-MRXNPFEDSA-N 1 1 277.795 3.192 20 30 CGEDMO C=C(C)C[N@@H+](CC(=O)NCCCCC)Cc1ccccc1 ZINC000470905053 375001731 /nfs/dbraw/zinc/00/17/31/375001731.db2.gz BRTUDMZIJHTFSF-UHFFFAOYSA-N 1 1 288.435 3.371 20 30 CGEDMO C=C(C)C[N@H+](CC(=O)NCCCCC)Cc1ccccc1 ZINC000470905053 375001734 /nfs/dbraw/zinc/00/17/34/375001734.db2.gz BRTUDMZIJHTFSF-UHFFFAOYSA-N 1 1 288.435 3.371 20 30 CGEDMO C=CC[N@H+](C[C@@H](O)CCOC(C)C)CC1CCCCC1 ZINC000472153868 375009723 /nfs/dbraw/zinc/00/97/23/375009723.db2.gz HZYHGAPENAYFMQ-KRWDZBQOSA-N 1 1 283.456 3.231 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000472567456 375024991 /nfs/dbraw/zinc/02/49/91/375024991.db2.gz CKDZDKYNRILKFK-SZMVWBNQSA-N 1 1 273.420 3.267 20 30 CGEDMO CCOC[C@@H]1CCC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187691549 375074008 /nfs/dbraw/zinc/07/40/08/375074008.db2.gz HZZKECYEMZANQL-GOEBONIOSA-N 1 1 272.392 3.368 20 30 CGEDMO C=C(C)[C@@H]([NH2+]CC(=O)N(CC)CC)c1ccc(F)c(F)c1 ZINC000187758105 375088641 /nfs/dbraw/zinc/08/86/41/375088641.db2.gz WKEQJPCZEAWOHI-MRXNPFEDSA-N 1 1 296.361 3.040 20 30 CGEDMO C=C(C)[C@H]([NH2+]CC(=O)N[C@@H](C)CC)c1ccc(F)c(F)c1 ZINC000187764301 375089038 /nfs/dbraw/zinc/08/90/38/375089038.db2.gz RLGHQKGEZNECMU-ZBEGNZNMSA-N 1 1 296.361 3.086 20 30 CGEDMO C=CCOc1ccccc1C[NH2+][C@H](C)c1nccnc1C ZINC000187997649 375134930 /nfs/dbraw/zinc/13/49/30/375134930.db2.gz PXGIMZXHUXXFOX-CQSZACIVSA-N 1 1 283.375 3.201 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000481705287 375165449 /nfs/dbraw/zinc/16/54/49/375165449.db2.gz YUPPGPOELFWKSM-QGZVFWFLSA-N 1 1 257.377 3.474 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](CCCc1ccc2c(c1)CCO2)C1CC1 ZINC000482166802 375167607 /nfs/dbraw/zinc/16/76/07/375167607.db2.gz DNYVOOJOFLTXCB-AWEZNQCLSA-N 1 1 284.403 3.178 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](C(=O)NCCCC)C1 ZINC000486675664 375197407 /nfs/dbraw/zinc/19/74/07/375197407.db2.gz LMUQKISLHOAENT-MRXNPFEDSA-N 1 1 280.456 3.361 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@H](c3cccnc3)C2)ccc1F ZINC000335419782 375278319 /nfs/dbraw/zinc/27/83/19/375278319.db2.gz XXIOPIWEGCDHJJ-HNNXBMFYSA-N 1 1 281.334 3.082 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@H](O)CC(F)(F)F ZINC000188862958 375283009 /nfs/dbraw/zinc/28/30/09/375283009.db2.gz INBFICKISKKDBI-GFCCVEGCSA-N 1 1 291.288 3.127 20 30 CGEDMO COCC[N@@H+](CC#Cc1ccccc1)[C@H]1CCC[C@H]1C ZINC000487966962 375289296 /nfs/dbraw/zinc/28/92/96/375289296.db2.gz YEVVWGIFSBQBOE-AEFFLSMTSA-N 1 1 271.404 3.175 20 30 CGEDMO COCC[N@@H+](Cc1cc(C#N)ccc1F)[C@H]1CCC[C@@H]1C ZINC000487998209 375294851 /nfs/dbraw/zinc/29/48/51/375294851.db2.gz HDUXHTZXMOFKNS-GUYCJALGSA-N 1 1 290.382 3.334 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1ccn(-c2ccccc2F)n1 ZINC000188811984 375273536 /nfs/dbraw/zinc/27/35/36/375273536.db2.gz HWIATGVMBCVWJH-UHFFFAOYSA-N 1 1 273.355 3.409 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccn(-c2ccccc2F)n1 ZINC000188811984 375273539 /nfs/dbraw/zinc/27/35/39/375273539.db2.gz HWIATGVMBCVWJH-UHFFFAOYSA-N 1 1 273.355 3.409 20 30 CGEDMO CC[N@@H+](C[C@@H](C)COC)[C@@H](C)c1ccc(C#N)cc1 ZINC000189693610 375435226 /nfs/dbraw/zinc/43/52/26/375435226.db2.gz LGGKHUBAPYBCEF-KGLIPLIRSA-N 1 1 260.381 3.224 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000493948811 375485060 /nfs/dbraw/zinc/48/50/60/375485060.db2.gz LCDHJSLQGNSACI-UONOGXRCSA-N 1 1 282.428 3.188 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCC[C@H](OCC3CC3)C2)cc1 ZINC000494660936 375489499 /nfs/dbraw/zinc/48/94/99/375489499.db2.gz HLUXYZACHXFFMO-SFHVURJKSA-N 1 1 284.403 3.144 20 30 CGEDMO N#Cc1csc(C[NH2+][C@@H]2CCSc3ccccc32)n1 ZINC000335870008 375499550 /nfs/dbraw/zinc/49/95/50/375499550.db2.gz PVPPKQKVLXQKPE-GFCCVEGCSA-N 1 1 287.413 3.341 20 30 CGEDMO Cn1cc(C[N@@H+]2CC=C(c3ccccc3)CC2)cc1C#N ZINC000191168373 375589203 /nfs/dbraw/zinc/58/92/03/375589203.db2.gz JJDOJKBDVTWPMZ-UHFFFAOYSA-N 1 1 277.371 3.186 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000496791923 375557121 /nfs/dbraw/zinc/55/71/21/375557121.db2.gz OVPQDBAEGFVHHP-KBPBESRZSA-N 1 1 295.427 3.010 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)cc1 ZINC000497114819 375578043 /nfs/dbraw/zinc/57/80/43/375578043.db2.gz MSCUPIUOQKDZDC-WMZOPIPTSA-N 1 1 289.419 3.234 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@@H]3CCCCO3)CC2)cc1 ZINC000335970438 375581913 /nfs/dbraw/zinc/58/19/13/375581913.db2.gz FHARJLDAGRWQPG-SFHVURJKSA-N 1 1 282.387 3.216 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccc(Br)c(C)c1 ZINC000501926473 375640803 /nfs/dbraw/zinc/64/08/03/375640803.db2.gz IIQVBAUQTPVYTK-UHFFFAOYSA-N 1 1 298.224 3.392 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cc2c(cc1SC)OCCO2 ZINC000505908481 375663976 /nfs/dbraw/zinc/66/39/76/375663976.db2.gz XVQYPENZZTYHSC-UHFFFAOYSA-N 1 1 291.416 3.354 20 30 CGEDMO CCC(CC)[N@@H+](CCOC)Cc1ccc(C#N)c(F)c1 ZINC000191989956 375687615 /nfs/dbraw/zinc/68/76/15/375687615.db2.gz AMJQDBBDUIPSQM-UHFFFAOYSA-N 1 1 278.371 3.334 20 30 CGEDMO Cn1cccc1[C@@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC000192080188 375696570 /nfs/dbraw/zinc/69/65/70/375696570.db2.gz PDGABTDDTWYUFM-SFHVURJKSA-N 1 1 264.372 3.214 20 30 CGEDMO CC[N@@H+](CCc1nccs1)Cc1ccc(C#N)c(F)c1 ZINC000192129174 375701396 /nfs/dbraw/zinc/70/13/96/375701396.db2.gz ORGSLSUEWDRMAJ-UHFFFAOYSA-N 1 1 289.379 3.218 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)CC1(O)CCCCCC1 ZINC000192706811 375780503 /nfs/dbraw/zinc/78/05/03/375780503.db2.gz GFMDPEQTUPJYGB-UHFFFAOYSA-N 1 1 272.392 3.075 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000509664116 375781435 /nfs/dbraw/zinc/78/14/35/375781435.db2.gz GJFBBCBHGNSGAP-QGZVFWFLSA-N 1 1 286.419 3.237 20 30 CGEDMO CO[C@H]1C[C@@H]([N@@H+](C)CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000510145761 375783137 /nfs/dbraw/zinc/78/31/37/375783137.db2.gz TZUUHJXYROQZRS-GASCZTMLSA-N 1 1 297.320 3.166 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000336521803 375803037 /nfs/dbraw/zinc/80/30/37/375803037.db2.gz BYRTTXIGLCBMRN-KRWDZBQOSA-N 1 1 263.344 3.290 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000336521803 375803042 /nfs/dbraw/zinc/80/30/42/375803042.db2.gz BYRTTXIGLCBMRN-KRWDZBQOSA-N 1 1 263.344 3.290 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cncn1Cc1ccccc1 ZINC000527074918 375892714 /nfs/dbraw/zinc/89/27/14/375892714.db2.gz DXTPIFHOQDYBCQ-UHFFFAOYSA-N 1 1 269.392 3.329 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@H+]2CCCC3(C2)CCCCCC3)CC1 ZINC000528393948 375900372 /nfs/dbraw/zinc/90/03/72/375900372.db2.gz ZHIDNXMCUITGQM-MRXNPFEDSA-N 1 1 290.451 3.478 20 30 CGEDMO C=Cn1cc(C[N@H+](CCC)Cc2ccc(C#N)cc2)cn1 ZINC000193717659 375915070 /nfs/dbraw/zinc/91/50/70/375915070.db2.gz QUHXHQRGSGFXRK-UHFFFAOYSA-N 1 1 280.375 3.267 20 30 CGEDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](CCCCC#N)C1 ZINC000532379535 375951091 /nfs/dbraw/zinc/95/10/91/375951091.db2.gz JEWLBTFWMCATBH-AWEZNQCLSA-N 1 1 280.412 3.124 20 30 CGEDMO CC[N@@H+](CCn1cc(C)cn1)[C@H](C)c1ccc(C#N)cc1 ZINC000336847807 376009189 /nfs/dbraw/zinc/00/91/89/376009189.db2.gz YIASZJGOAQWEGZ-OAHLLOKOSA-N 1 1 282.391 3.146 20 30 CGEDMO C=CCN1CC[C@@H]([N@@H+](Cc2ccc(CC)cc2)C2CC2)C1=O ZINC000337129968 376089130 /nfs/dbraw/zinc/08/91/30/376089130.db2.gz JLMMCUNOQJIVLY-GOSISDBHSA-N 1 1 298.430 3.000 20 30 CGEDMO C=CC[N@H+](Cc1c[nH]c(C(=O)OC)c1)CC1CCCCC1 ZINC000536671397 376117911 /nfs/dbraw/zinc/11/79/11/376117911.db2.gz IFDYTLUXRBBWOT-UHFFFAOYSA-N 1 1 290.407 3.370 20 30 CGEDMO C=CC[N@H+](CCOC)[C@@H](CC)c1ccc(F)cc1 ZINC000195002474 376068598 /nfs/dbraw/zinc/06/85/98/376068598.db2.gz IPPVNEVFBYVYGG-HNNXBMFYSA-N 1 1 251.345 3.411 20 30 CGEDMO C[C@@H]1C[C@H](C)CC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337196351 376129821 /nfs/dbraw/zinc/12/98/21/376129821.db2.gz XIPDOCDHSOCYAO-HZPDHXFCSA-N 1 1 278.440 3.455 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](CCCC2(C#N)CCOCC2)CCS1 ZINC000337198553 376131510 /nfs/dbraw/zinc/13/15/10/376131510.db2.gz YFBBGBQJWHXLBG-HNNXBMFYSA-N 1 1 296.480 3.160 20 30 CGEDMO C[C@H]1CCCC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337206947 376136618 /nfs/dbraw/zinc/13/66/18/376136618.db2.gz NMAUFODNPDSUTK-HNNXBMFYSA-N 1 1 264.413 3.209 20 30 CGEDMO C[C@@H]1C[N@@H+](CC2(C#N)CC2)CC[C@H]1c1ccccc1 ZINC000537255327 376158014 /nfs/dbraw/zinc/15/80/14/376158014.db2.gz STRXZSSAWSFCOY-GDBMZVCRSA-N 1 1 254.377 3.416 20 30 CGEDMO CC1(C)CC[N@@H+](CCCC2(C#N)CCOCC2)CCS1 ZINC000337253625 376167088 /nfs/dbraw/zinc/16/70/88/376167088.db2.gz SCVGBOVLFCBZFZ-UHFFFAOYSA-N 1 1 296.480 3.304 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2cnc(OC)nc2C)CCCC1(C)C ZINC000337267180 376178535 /nfs/dbraw/zinc/17/85/35/376178535.db2.gz ZWIBQAJTYBTGGS-HNNXBMFYSA-N 1 1 289.423 3.360 20 30 CGEDMO CC[C@H](C)[N@@H+](C)CCNc1cc(C#N)c2ccccc2n1 ZINC000218070852 376183346 /nfs/dbraw/zinc/18/33/46/376183346.db2.gz UNNQDOJUVURSST-ZDUSSCGKSA-N 1 1 282.391 3.249 20 30 CGEDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cccc(C#N)c1F ZINC000222572066 376238513 /nfs/dbraw/zinc/23/85/13/376238513.db2.gz MPOHCWUYOAGAEK-BBRMVZONSA-N 1 1 290.382 3.213 20 30 CGEDMO C=CC[N@@H+](CC(=O)N[C@@H](c1ccccc1)C(C)C)C1CC1 ZINC000538955208 376280966 /nfs/dbraw/zinc/28/09/66/376280966.db2.gz GKWSWPJMDXRUHO-GOSISDBHSA-N 1 1 286.419 3.150 20 30 CGEDMO C=CC[N@H+](CC(=O)N[C@@H](c1ccccc1)C(C)C)C1CC1 ZINC000538955208 376280973 /nfs/dbraw/zinc/28/09/73/376280973.db2.gz GKWSWPJMDXRUHO-GOSISDBHSA-N 1 1 286.419 3.150 20 30 CGEDMO CC[N@H+]1C[C@@H](C)N(c2ccc3cc(C#N)ccc3n2)C[C@@H]1C ZINC000538978752 376284484 /nfs/dbraw/zinc/28/44/84/376284484.db2.gz JDKGBFGFWQWKAJ-UONOGXRCSA-N 1 1 294.402 3.025 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H]3CCC[C@H]32)c1 ZINC000228012607 376423167 /nfs/dbraw/zinc/42/31/67/376423167.db2.gz OJMBCRFSGBBAKP-CZUORRHYSA-N 1 1 258.340 3.462 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]3CCC[C@H]32)c(F)c1 ZINC000228013433 376423406 /nfs/dbraw/zinc/42/34/06/376423406.db2.gz ABOUZQXZUKPVFP-CZUORRHYSA-N 1 1 258.340 3.462 20 30 CGEDMO CC(C)[N@@H+](C)CC1CCN(c2ccc(F)cc2C#N)CC1 ZINC000540297256 376368930 /nfs/dbraw/zinc/36/89/30/376368930.db2.gz KSIBVLOCSCSJSP-UHFFFAOYSA-N 1 1 289.398 3.254 20 30 CGEDMO O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1 ZINC000228497365 376438604 /nfs/dbraw/zinc/43/86/04/376438604.db2.gz AJLWXQVUYWEWOK-CEXWTWQISA-N 1 1 283.415 3.054 20 30 CGEDMO C[C@@H]1C[N@@H+](CCOc2ccccc2C#N)[C@H]2CCCC[C@H]12 ZINC000542968311 376595119 /nfs/dbraw/zinc/59/51/19/376595119.db2.gz YWSCEWWEXUGBJN-OIISXLGYSA-N 1 1 284.403 3.448 20 30 CGEDMO CC[N@@H+](Cc1ccc(-c2cnn(C)c2)s1)C[C@H](C)C#N ZINC000338946347 376592124 /nfs/dbraw/zinc/59/21/24/376592124.db2.gz IGXQJRBVARNWAA-GFCCVEGCSA-N 1 1 288.420 3.130 20 30 CGEDMO CC[N@H+](Cc1ccc(-c2cnn(C)c2)s1)C[C@H](C)C#N ZINC000338946347 376592140 /nfs/dbraw/zinc/59/21/40/376592140.db2.gz IGXQJRBVARNWAA-GFCCVEGCSA-N 1 1 288.420 3.130 20 30 CGEDMO C[N@@H+](CCOc1ccccc1C#N)C[C@@H]1CC=CCC1 ZINC000543181125 376615980 /nfs/dbraw/zinc/61/59/80/376615980.db2.gz AMJREVSQNAWDAR-OAHLLOKOSA-N 1 1 270.376 3.225 20 30 CGEDMO C[C@H]1CCC[N@@H+](CCNc2cccc(Cl)c2C#N)C1 ZINC000338991664 376617056 /nfs/dbraw/zinc/61/70/56/376617056.db2.gz AXGHYFOFFSATPO-LBPRGKRZSA-N 1 1 277.799 3.355 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@H]2C(C)C)ccc1C#N ZINC000234979888 376627391 /nfs/dbraw/zinc/62/73/91/376627391.db2.gz MIVYJONBABTLLN-HNNXBMFYSA-N 1 1 258.365 3.187 20 30 CGEDMO C[C@H](Cc1ccccc1)C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000544405911 376731747 /nfs/dbraw/zinc/73/17/47/376731747.db2.gz VKZPUFLESCPYFT-HUUCEWRRSA-N 1 1 256.393 3.489 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000339139476 376704469 /nfs/dbraw/zinc/70/44/69/376704469.db2.gz GCEIIISYNHTRMT-INIZCTEOSA-N 1 1 293.382 3.009 20 30 CGEDMO COc1ccccc1CC[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000544143907 376710084 /nfs/dbraw/zinc/71/00/84/376710084.db2.gz TVVNMDZFHBMAMF-UHFFFAOYSA-N 1 1 294.398 3.436 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000544440128 376737907 /nfs/dbraw/zinc/73/79/07/376737907.db2.gz UKUCQOKWYIASBB-SOUVJXGZSA-N 1 1 253.430 3.460 20 30 CGEDMO CC1=CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000339660868 376792905 /nfs/dbraw/zinc/79/29/05/376792905.db2.gz PCONDCOMRKYSCL-UHFFFAOYSA-N 1 1 278.302 3.312 20 30 CGEDMO CC1=CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)CC1 ZINC000339660868 376792914 /nfs/dbraw/zinc/79/29/14/376792914.db2.gz PCONDCOMRKYSCL-UHFFFAOYSA-N 1 1 278.302 3.312 20 30 CGEDMO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@H](C)c1cccc(C#N)c1 ZINC000245849089 376918059 /nfs/dbraw/zinc/91/80/59/376918059.db2.gz GAGRWRUSQSDQHP-BZUAXINKSA-N 1 1 285.435 3.329 20 30 CGEDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)N[C@H](C)c1cccc(C#N)c1 ZINC000245849089 376918064 /nfs/dbraw/zinc/91/80/64/376918064.db2.gz GAGRWRUSQSDQHP-BZUAXINKSA-N 1 1 285.435 3.329 20 30 CGEDMO C[C@H](N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(C#N)c1 ZINC000245954557 376942433 /nfs/dbraw/zinc/94/24/33/376942433.db2.gz XCIRODXSAPEBMF-IAOVAPTHSA-N 1 1 271.408 3.082 20 30 CGEDMO C=CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC000245961758 376945603 /nfs/dbraw/zinc/94/56/03/376945603.db2.gz YFNWXAWZMCLVRK-CABCVRRESA-N 1 1 266.429 3.110 20 30 CGEDMO C[C@H]1C[N@H+](CCCSCC#N)C[C@@H](c2ccsc2)O1 ZINC000246517513 377045605 /nfs/dbraw/zinc/04/56/05/377045605.db2.gz PBOXIHFZJCNLNA-JSGCOSHPSA-N 1 1 296.461 3.157 20 30 CGEDMO C[C@H]1C[N@@H+](CCCSCC#N)C[C@@H](c2ccsc2)O1 ZINC000246517513 377045615 /nfs/dbraw/zinc/04/56/15/377045615.db2.gz PBOXIHFZJCNLNA-JSGCOSHPSA-N 1 1 296.461 3.157 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@@H]1CN(C)Cc1cccc(C#N)c1 ZINC000340283872 376981260 /nfs/dbraw/zinc/98/12/60/376981260.db2.gz OGHBUHHPDKKEAD-GOSISDBHSA-N 1 1 285.435 3.253 20 30 CGEDMO N#Cc1ccccc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246814984 377095226 /nfs/dbraw/zinc/09/52/26/377095226.db2.gz NLJQRILGQRGQOP-HKUYNNGSSA-N 1 1 295.430 3.007 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(C#N)c1F ZINC000340759623 377246317 /nfs/dbraw/zinc/24/63/17/377246317.db2.gz JMWHANPOYQOHNV-UHFFFAOYSA-N 1 1 279.318 3.201 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(C#N)c1F ZINC000340759623 377246324 /nfs/dbraw/zinc/24/63/24/377246324.db2.gz JMWHANPOYQOHNV-UHFFFAOYSA-N 1 1 279.318 3.201 20 30 CGEDMO N#CCCCN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248068623 377264160 /nfs/dbraw/zinc/26/41/60/377264160.db2.gz MJJSCNWTVUFDNU-RBUKOAKNSA-N 1 1 297.446 3.277 20 30 CGEDMO C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C#N)c2)[C@@H]2CCCC[C@H]21 ZINC000248417240 377314936 /nfs/dbraw/zinc/31/49/36/377314936.db2.gz JJIBCJAJTUBFMH-XOKHGSTOSA-N 1 1 297.402 3.007 20 30 CGEDMO C=C(CC)CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000562862911 377367070 /nfs/dbraw/zinc/36/70/70/377367070.db2.gz YNPJCAPADWLMPG-KRWDZBQOSA-N 1 1 264.457 3.397 20 30 CGEDMO C[N@H+](Cc1ccc(Cl)cc1C#N)C[C@@H]1CCCC[C@H]1O ZINC000248585213 377356566 /nfs/dbraw/zinc/35/65/66/377356566.db2.gz XJFZDTUYRCPYNA-XJKSGUPXSA-N 1 1 292.810 3.195 20 30 CGEDMO CC[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000563151492 377409367 /nfs/dbraw/zinc/40/93/67/377409367.db2.gz XCPXHVCCCWGABT-GDBMZVCRSA-N 1 1 297.406 3.002 20 30 CGEDMO C=CC[C@H](CC)NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000566982098 377502250 /nfs/dbraw/zinc/50/22/50/377502250.db2.gz QWTCEVXUTWNDCJ-GJZGRUSLSA-N 1 1 294.826 3.414 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000249085587 377459144 /nfs/dbraw/zinc/45/91/44/377459144.db2.gz BQEDSNOAPAZISC-IIDMSEBBSA-N 1 1 294.402 3.399 20 30 CGEDMO CC(C)O[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000564915821 377481913 /nfs/dbraw/zinc/48/19/13/377481913.db2.gz MZLDNCJPPIYRFP-OAHLLOKOSA-N 1 1 277.795 3.191 20 30 CGEDMO CC(C)O[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000564915821 377481921 /nfs/dbraw/zinc/48/19/21/377481921.db2.gz MZLDNCJPPIYRFP-OAHLLOKOSA-N 1 1 277.795 3.191 20 30 CGEDMO CC#CC[N@@H+](C)Cc1cccc(OCC(F)(F)F)c1 ZINC000565611515 377488761 /nfs/dbraw/zinc/48/87/61/377488761.db2.gz BCPIWLVYILKCBT-UHFFFAOYSA-N 1 1 271.282 3.083 20 30 CGEDMO C[C@@H]1CC[C@H](C)C[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000088704584 249027419 /nfs/dbraw/zinc/02/74/19/249027419.db2.gz BPVMNDVGRNXWPE-LSDHHAIUSA-N 1 1 272.392 3.448 20 30 CGEDMO C[C@@H]1C[C@@H](Nc2ccc(C#N)cc2C(F)(F)F)CC[N@H+]1C ZINC000090795094 249029778 /nfs/dbraw/zinc/02/97/78/249029778.db2.gz LIIYPNMTEYFOKD-PWSUYJOCSA-N 1 1 297.324 3.472 20 30 CGEDMO CC[C@H](CSC)[N@@H+](C)Cc1cc(C#N)ccc1OC ZINC000091099380 249030573 /nfs/dbraw/zinc/03/05/73/249030573.db2.gz CJLJFOHBSXWELD-CQSZACIVSA-N 1 1 278.421 3.140 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(OC)n1 ZINC000171859477 249047669 /nfs/dbraw/zinc/04/76/69/249047669.db2.gz OUOZMUPQXWBPJM-UHFFFAOYSA-N 1 1 295.386 3.374 20 30 CGEDMO CC[C@]1(CO)CCC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000249578908 377515451 /nfs/dbraw/zinc/51/54/51/377515451.db2.gz QGQYPCJSZJQJJF-PBHICJAKSA-N 1 1 272.392 3.104 20 30 CGEDMO CCN1C[C@@H](C)[NH+](Cc2ccccc2C(C)(C)C#N)[C@H](C)C1 ZINC000572205168 377547831 /nfs/dbraw/zinc/54/78/31/377547831.db2.gz ZPJONJYHTRBECY-HZPDHXFCSA-N 1 1 299.462 3.402 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H](O)C(C)(C)C ZINC000572623092 377549677 /nfs/dbraw/zinc/54/96/77/377549677.db2.gz ODFCTGRWTQHBRI-MRXNPFEDSA-N 1 1 277.408 3.090 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000573623554 377558584 /nfs/dbraw/zinc/55/85/84/377558584.db2.gz MYBBNOBMCDNYRO-ZDUSSCGKSA-N 1 1 258.365 3.186 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000573623554 377558590 /nfs/dbraw/zinc/55/85/90/377558590.db2.gz MYBBNOBMCDNYRO-ZDUSSCGKSA-N 1 1 258.365 3.186 20 30 CGEDMO Cc1noc([C@H]2CCC[N@H+]([C@H](C)c3ccc(C#N)cc3)C2)n1 ZINC000265475188 190184811 /nfs/dbraw/zinc/18/48/11/190184811.db2.gz JYNWDHUMLHGUEE-WBMJQRKESA-N 1 1 296.374 3.190 20 30 CGEDMO CO[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CC[C@H]1C ZINC000251531343 377586786 /nfs/dbraw/zinc/58/67/86/377586786.db2.gz DEXPWRHBGUIXHO-RHSMWYFYSA-N 1 1 286.419 3.345 20 30 CGEDMO C=C1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000342480940 377650589 /nfs/dbraw/zinc/65/05/89/377650589.db2.gz WOKAUTBOGAKPCS-GOSISDBHSA-N 1 1 298.430 3.220 20 30 CGEDMO C=CC[C@H](C)NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000342522312 377655749 /nfs/dbraw/zinc/65/57/49/377655749.db2.gz ITKYLOWYXSDAHP-SMDDNHRTSA-N 1 1 280.799 3.024 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccc(F)cc2)cc1 ZINC000253394725 377688990 /nfs/dbraw/zinc/68/89/90/377688990.db2.gz JMCNBXQJWLOGBB-ROUUACIJSA-N 1 1 296.345 3.005 20 30 CGEDMO C=CCCCCCN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000253355322 377684334 /nfs/dbraw/zinc/68/43/34/377684334.db2.gz UYJGUTDFBUGBOZ-HZPDHXFCSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CCCCCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000253355322 377684344 /nfs/dbraw/zinc/68/43/44/377684344.db2.gz UYJGUTDFBUGBOZ-HZPDHXFCSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](O)COc1ccccc1C(C)C ZINC000342767105 377780592 /nfs/dbraw/zinc/78/05/92/377780592.db2.gz WNLACWRHTBXGNJ-HNNXBMFYSA-N 1 1 277.408 3.058 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000342729418 377760202 /nfs/dbraw/zinc/76/02/02/377760202.db2.gz FASMJGSOLMJGBQ-JTQLQIEISA-N 1 1 284.762 3.314 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)C[C@H]1CCCOC1 ZINC000342748665 377772324 /nfs/dbraw/zinc/77/23/24/377772324.db2.gz XCFHHJHKAZLWKS-OAHLLOKOSA-N 1 1 252.402 3.065 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)C[C@@H]1CCCOC1 ZINC000342748664 377772539 /nfs/dbraw/zinc/77/25/39/377772539.db2.gz XCFHHJHKAZLWKS-HNNXBMFYSA-N 1 1 252.402 3.065 20 30 CGEDMO CCC(CC)[C@@H](C[NH2+]Cc1ccc(C#N)cc1F)N(C)C ZINC000343289360 377947916 /nfs/dbraw/zinc/94/79/16/377947916.db2.gz PSNRBMBOLSQHIF-QGZVFWFLSA-N 1 1 291.414 3.153 20 30 CGEDMO C=CCCC(=O)N1c2ccc(C)cc2[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000263682515 377949833 /nfs/dbraw/zinc/94/98/33/377949833.db2.gz PCEKIMLYDQETEK-NVXWUHKLSA-N 1 1 284.403 3.096 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(OC(F)F)c(F)c1 ZINC000343451306 377983614 /nfs/dbraw/zinc/98/36/14/377983614.db2.gz YBNXMVNYDGPIRT-UHFFFAOYSA-N 1 1 259.271 3.435 20 30 CGEDMO COc1ccnc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000264436536 377984855 /nfs/dbraw/zinc/98/48/55/377984855.db2.gz PLPHRRMIXLSZFM-UHFFFAOYSA-N 1 1 293.370 3.126 20 30 CGEDMO COc1ccnc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000264436536 377984860 /nfs/dbraw/zinc/98/48/60/377984860.db2.gz PLPHRRMIXLSZFM-UHFFFAOYSA-N 1 1 293.370 3.126 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](CC(=O)OC)[C@@H](C)CC)c1 ZINC000343599030 378033489 /nfs/dbraw/zinc/03/34/89/378033489.db2.gz GPMLMIWOEKZVOM-AWEZNQCLSA-N 1 1 291.391 3.025 20 30 CGEDMO C=CCOc1cccc(C[N@H+](CC(=O)OC)[C@@H](C)CC)c1 ZINC000343599030 378033493 /nfs/dbraw/zinc/03/34/93/378033493.db2.gz GPMLMIWOEKZVOM-AWEZNQCLSA-N 1 1 291.391 3.025 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1cscn1 ZINC000578131811 378039538 /nfs/dbraw/zinc/03/95/38/378039538.db2.gz XGAWAJTVNYNEES-NSHDSACASA-N 1 1 257.362 3.060 20 30 CGEDMO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CCCC#N ZINC000267762469 378043605 /nfs/dbraw/zinc/04/36/05/378043605.db2.gz FRNTWFTYPKRDHY-OAHLLOKOSA-N 1 1 268.364 3.014 20 30 CGEDMO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1CCCC#N ZINC000267762469 378043609 /nfs/dbraw/zinc/04/36/09/378043609.db2.gz FRNTWFTYPKRDHY-OAHLLOKOSA-N 1 1 268.364 3.014 20 30 CGEDMO C[C@@H](CC#N)[N@H+](C)CCC(=O)Nc1ccc(Cl)cc1F ZINC000268317847 378052569 /nfs/dbraw/zinc/05/25/69/378052569.db2.gz SCRLPAWLNAPMMO-JTQLQIEISA-N 1 1 297.761 3.042 20 30 CGEDMO C[C@@H](CC#N)[N@@H+](C)CCC(=O)Nc1ccc(Cl)cc1F ZINC000268317847 378052573 /nfs/dbraw/zinc/05/25/73/378052573.db2.gz SCRLPAWLNAPMMO-JTQLQIEISA-N 1 1 297.761 3.042 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCCO[C@H](CC)C1 ZINC000343688304 378066822 /nfs/dbraw/zinc/06/68/22/378066822.db2.gz ZAXRWSZEZKMDGC-MRXNPFEDSA-N 1 1 275.392 3.252 20 30 CGEDMO C[C@@H]1CC[C@H]([N@H+](CC#Cc2ccccc2Cl)CCO)C1 ZINC000577903899 378022588 /nfs/dbraw/zinc/02/25/88/378022588.db2.gz QKSSNYMEZAOKRD-ZBFHGGJFSA-N 1 1 291.822 3.174 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)C[C@H](O)c1ccc(F)cc1 ZINC000266723679 378025773 /nfs/dbraw/zinc/02/57/73/378025773.db2.gz INMUTTGDFMOVEI-INIZCTEOSA-N 1 1 278.371 3.121 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)C[C@H](O)c1ccc(F)cc1 ZINC000266723679 378025779 /nfs/dbraw/zinc/02/57/79/378025779.db2.gz INMUTTGDFMOVEI-INIZCTEOSA-N 1 1 278.371 3.121 20 30 CGEDMO N#Cc1cccc(OCC[N@H+]2CCC[C@@H](C3CC3)C2)c1 ZINC000343956427 378143249 /nfs/dbraw/zinc/14/32/49/378143249.db2.gz DRTZNCOXZIHORX-MRXNPFEDSA-N 1 1 270.376 3.059 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)[C@@H]1CCCc2nc(CC)sc21 ZINC000268661196 378087516 /nfs/dbraw/zinc/08/75/16/378087516.db2.gz JBZGNRJVELXDLN-TZMCWYRMSA-N 1 1 294.464 3.342 20 30 CGEDMO CC(C)(C)OC(=O)c1ccc(C[NH2+]CC2(C#N)CC2)cc1 ZINC000578708015 378093889 /nfs/dbraw/zinc/09/38/89/378093889.db2.gz PGELPGPDXLECHV-UHFFFAOYSA-N 1 1 286.375 3.035 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)c1F ZINC000578745501 378096599 /nfs/dbraw/zinc/09/65/99/378096599.db2.gz ZOWMCEDGPYVEHX-KRWDZBQOSA-N 1 1 296.345 3.351 20 30 CGEDMO C=CCCCC[NH2+][C@H](C)c1noc(COC(C)C)n1 ZINC000578834904 378104061 /nfs/dbraw/zinc/10/40/61/378104061.db2.gz IJJQYFIELIMOQX-GFCCVEGCSA-N 1 1 267.373 3.002 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000579964441 378212888 /nfs/dbraw/zinc/21/28/88/378212888.db2.gz HGFWOEOAYKIYQO-STQMWFEESA-N 1 1 287.363 3.334 20 30 CGEDMO C=CCCCCCN[C@@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000579977389 378214581 /nfs/dbraw/zinc/21/45/81/378214581.db2.gz CPQBAMULUBETJQ-MRXNPFEDSA-N 1 1 288.370 3.369 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)C1CCC(C(F)(F)F)CC1 ZINC000344143364 378160505 /nfs/dbraw/zinc/16/05/05/378160505.db2.gz BJJOSQHKQSVSFS-BPCQOVAHSA-N 1 1 279.346 3.366 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)C1CCC(C(F)(F)F)CC1 ZINC000344143365 378160553 /nfs/dbraw/zinc/16/05/53/378160553.db2.gz BJJOSQHKQSVSFS-WXRRBKDZSA-N 1 1 279.346 3.366 20 30 CGEDMO COc1cccc(C[N@@H+](C)Cc2ccc(OC)c(C#N)c2)c1 ZINC000269677819 378252332 /nfs/dbraw/zinc/25/23/32/378252332.db2.gz SKMHKLAEWCYNBV-UHFFFAOYSA-N 1 1 296.370 3.207 20 30 CGEDMO C#CCCC[N@@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000271010200 378426965 /nfs/dbraw/zinc/42/69/65/378426965.db2.gz HTMHHEHEZJHIBF-UHFFFAOYSA-N 1 1 256.324 3.079 20 30 CGEDMO C#CCCC[N@H+]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000271010200 378426966 /nfs/dbraw/zinc/42/69/66/378426966.db2.gz HTMHHEHEZJHIBF-UHFFFAOYSA-N 1 1 256.324 3.079 20 30 CGEDMO C#CCCC[N@@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000271020032 378428082 /nfs/dbraw/zinc/42/80/82/378428082.db2.gz IZWRUUCHOPJXDJ-UHFFFAOYSA-N 1 1 262.300 3.007 20 30 CGEDMO C#CCCC[N@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000271020032 378428086 /nfs/dbraw/zinc/42/80/86/378428086.db2.gz IZWRUUCHOPJXDJ-UHFFFAOYSA-N 1 1 262.300 3.007 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cnn(C(C)(C)C)c1 ZINC000272623095 378679305 /nfs/dbraw/zinc/67/93/05/378679305.db2.gz MEQLZYDURXSXJY-UHFFFAOYSA-N 1 1 287.407 3.462 20 30 CGEDMO C=CCOCCC[N@H+]1C[C@@H](c2ccc(F)cc2)O[C@@H](C)C1 ZINC000348029201 378757856 /nfs/dbraw/zinc/75/78/56/378757856.db2.gz HYNYHTLRXXBFJE-YOEHRIQHSA-N 1 1 293.382 3.180 20 30 CGEDMO CC(C)Oc1ccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1C#N ZINC000272926172 378724203 /nfs/dbraw/zinc/72/42/03/378724203.db2.gz USFPFBJOJUJONQ-SJORKVTESA-N 1 1 299.418 3.384 20 30 CGEDMO C=CCOCCCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000348049004 378766361 /nfs/dbraw/zinc/76/63/61/378766361.db2.gz HXVRXEBURZIDCE-GOSISDBHSA-N 1 1 294.483 3.167 20 30 CGEDMO C=CCOCCC[N@@H+]1CCCC[C@H]1c1cccn1C ZINC000348056248 378769601 /nfs/dbraw/zinc/76/96/01/378769601.db2.gz OBGUTIQOPULCGM-INIZCTEOSA-N 1 1 262.397 3.145 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(OCc2ccncc2)cc1)C1CC1 ZINC000274151673 378784156 /nfs/dbraw/zinc/78/41/56/378784156.db2.gz LBYVBCUYWAZXHZ-UHFFFAOYSA-N 1 1 292.382 3.258 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)C[C@H](O)COCC(C)C ZINC000348207465 378840902 /nfs/dbraw/zinc/84/09/02/378840902.db2.gz WQNIHYXUPRQUQI-SFHVURJKSA-N 1 1 291.435 3.098 20 30 CGEDMO C=C(C)CC[N@H+](C)CC(=O)Nc1ccccc1SC ZINC000274766376 378890022 /nfs/dbraw/zinc/89/00/22/378890022.db2.gz LJENESMVRCLJND-UHFFFAOYSA-N 1 1 278.421 3.245 20 30 CGEDMO C=C(C)CC[N@@H+]1Cc2ccccc2C[C@H]1c1nnc(C)o1 ZINC000274765437 378890082 /nfs/dbraw/zinc/89/00/82/378890082.db2.gz LDNVQGWQYARGLI-INIZCTEOSA-N 1 1 283.375 3.444 20 30 CGEDMO C=C(C)CC[N@H+]1Cc2ccccc2C[C@H]1c1nnc(C)o1 ZINC000274765437 378890089 /nfs/dbraw/zinc/89/00/89/378890089.db2.gz LDNVQGWQYARGLI-INIZCTEOSA-N 1 1 283.375 3.444 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000274818479 378901299 /nfs/dbraw/zinc/90/12/99/378901299.db2.gz XPYCQJFXYKQLOU-QGZVFWFLSA-N 1 1 259.393 3.491 20 30 CGEDMO Cn1cc(C[N@H+]2CC[C@@H](c3ccccc3F)C2)cc1C#N ZINC000276764256 378993871 /nfs/dbraw/zinc/99/38/71/378993871.db2.gz NISWSZXUMXVPQE-CQSZACIVSA-N 1 1 283.350 3.025 20 30 CGEDMO Cn1cc(C[N@@H+]2CC=C(C(C)(C)C)CC2)cc1C#N ZINC000276768472 378993993 /nfs/dbraw/zinc/99/39/93/378993993.db2.gz OAFFGXRBTFQHSF-UHFFFAOYSA-N 1 1 257.381 3.075 20 30 CGEDMO Cc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(C#N)n(C)c2)o1 ZINC000276716974 378985229 /nfs/dbraw/zinc/98/52/29/378985229.db2.gz DSLWKWRVOVEEIC-HNNXBMFYSA-N 1 1 269.348 3.135 20 30 CGEDMO CC#CC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000277389647 379146923 /nfs/dbraw/zinc/14/69/23/379146923.db2.gz KFTVKSUXYDUJET-UHFFFAOYSA-N 1 1 284.403 3.413 20 30 CGEDMO CO[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000371736483 379174931 /nfs/dbraw/zinc/17/49/31/379174931.db2.gz XHSVNACVVRYIIH-MRXNPFEDSA-N 1 1 277.795 3.192 20 30 CGEDMO C=CC[C@@H]1[N@H+](Cc2cn3cccnc3n2)CCCC1(C)C ZINC000277749222 379227103 /nfs/dbraw/zinc/22/71/03/379227103.db2.gz LLPOOOOEZJXDCJ-HNNXBMFYSA-N 1 1 284.407 3.296 20 30 CGEDMO CC[C@H](NC1CC[NH+](CC2CC2)CC1)c1ccc(C#N)cc1 ZINC000278151431 379301830 /nfs/dbraw/zinc/30/18/30/379301830.db2.gz AAZWRWPQXFMMPH-IBGZPJMESA-N 1 1 297.446 3.473 20 30 CGEDMO CC[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccc(C#N)cc1 ZINC000278151431 379301838 /nfs/dbraw/zinc/30/18/38/379301838.db2.gz AAZWRWPQXFMMPH-IBGZPJMESA-N 1 1 297.446 3.473 20 30 CGEDMO N#Cc1c(C[N@H+]2CC[C@H](c3ccco3)C2)cn2ccccc12 ZINC000374002779 379359111 /nfs/dbraw/zinc/35/91/11/379359111.db2.gz NHDXBZOUCGXSEN-AWEZNQCLSA-N 1 1 291.354 3.393 20 30 CGEDMO C=CC[C@H](C(=O)N1CCC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000376340897 379541020 /nfs/dbraw/zinc/54/10/20/379541020.db2.gz MTGIYINERBPCAD-ROUUACIJSA-N 1 1 298.430 3.043 20 30 CGEDMO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000279804537 379520885 /nfs/dbraw/zinc/52/08/85/379520885.db2.gz PLTPTUFTYZIPNL-LRDDRELGSA-N 1 1 292.810 3.337 20 30 CGEDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000279804537 379520891 /nfs/dbraw/zinc/52/08/91/379520891.db2.gz PLTPTUFTYZIPNL-LRDDRELGSA-N 1 1 292.810 3.337 20 30 CGEDMO C=CCC1(C(=O)N2CCC[N@@H+](CC3CCC3)CC2)CCC1 ZINC000351053520 379629366 /nfs/dbraw/zinc/62/93/66/379629366.db2.gz RALAPHIOXXNKDN-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@H](C)C(=O)N1CCSc2ccccc21 ZINC000351063265 379631138 /nfs/dbraw/zinc/63/11/38/379631138.db2.gz LNFQIKHHMCSUJA-CYBMUJFWSA-N 1 1 290.432 3.022 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)N1CCSc2ccccc21 ZINC000351063265 379631149 /nfs/dbraw/zinc/63/11/49/379631149.db2.gz LNFQIKHHMCSUJA-CYBMUJFWSA-N 1 1 290.432 3.022 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+]1CCC[C@](C)(OC)CC1 ZINC000280385539 379693526 /nfs/dbraw/zinc/69/35/26/379693526.db2.gz WMRRSRVPYFGSRM-SFHVURJKSA-N 1 1 287.403 3.090 20 30 CGEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@@H]1CCCOC1 ZINC000352202173 379754303 /nfs/dbraw/zinc/75/43/03/379754303.db2.gz ILBGYROHOYTZAB-OAHLLOKOSA-N 1 1 272.392 3.099 20 30 CGEDMO C[C@@H](CCC#N)[N@@H+](C)CCOc1cccc(Cl)c1 ZINC000351607057 379728498 /nfs/dbraw/zinc/72/84/98/379728498.db2.gz GTXMHAIIVMGNMG-LBPRGKRZSA-N 1 1 266.772 3.343 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)Cc1cccc(Br)c1 ZINC000351616750 379732279 /nfs/dbraw/zinc/73/22/79/379732279.db2.gz VASDZMMEBZKRFQ-AWEZNQCLSA-N 1 1 298.224 3.208 20 30 CGEDMO C=C1CC[NH+](Cc2cccc(OC(C)(C)C)n2)CC1 ZINC000351694584 379739740 /nfs/dbraw/zinc/73/97/40/379739740.db2.gz MXCURKKFLYIKPU-UHFFFAOYSA-N 1 1 260.381 3.411 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000351750839 379741766 /nfs/dbraw/zinc/74/17/66/379741766.db2.gz BSRIINNAZQBJLT-OAHLLOKOSA-N 1 1 255.365 3.249 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000352403361 379796576 /nfs/dbraw/zinc/79/65/76/379796576.db2.gz VBEMPIOGGRXWGI-ZDUSSCGKSA-N 1 1 264.344 3.030 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H](O)CC ZINC000281475296 379836207 /nfs/dbraw/zinc/83/62/07/379836207.db2.gz ONDDJZUXUFAMBJ-JTQLQIEISA-N 1 1 259.802 3.160 20 30 CGEDMO CC[C@H]1C[N@H+]([C@@H](C)c2ccc(C#N)cc2)CCCO1 ZINC000281542478 379839215 /nfs/dbraw/zinc/83/92/15/379839215.db2.gz WZUMXOLCNJUTCE-BBRMVZONSA-N 1 1 258.365 3.120 20 30 CGEDMO CC1(C)C[N@@H+](CCOc2ccc(C#N)cc2)[C@H]2CCC[C@H]21 ZINC000378825103 379857350 /nfs/dbraw/zinc/85/73/50/379857350.db2.gz HDPXCMNZOAKWJL-SJORKVTESA-N 1 1 284.403 3.448 20 30 CGEDMO C=CCOCCC[N@@H+]1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000352431886 379813456 /nfs/dbraw/zinc/81/34/56/379813456.db2.gz MXSVYUNJUCTCMC-UHFFFAOYSA-N 1 1 287.403 3.135 20 30 CGEDMO N#CC1(F)CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000352458774 379824060 /nfs/dbraw/zinc/82/40/60/379824060.db2.gz OUCITMRTVNOGLS-UHFFFAOYSA-N 1 1 284.281 3.116 20 30 CGEDMO COc1cc(C[N@@H+](C)[C@@H](C)c2ccncc2)ccc1C#N ZINC000282309643 379894681 /nfs/dbraw/zinc/89/46/81/379894681.db2.gz MWGOJIPCNSAACA-ZDUSSCGKSA-N 1 1 281.359 3.155 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)CC[C@@H]2c2ccccc2)C1=O ZINC000352801903 379968530 /nfs/dbraw/zinc/96/85/30/379968530.db2.gz UJQUSHIWIIZBHI-JQHSSLGASA-N 1 1 298.430 3.247 20 30 CGEDMO CC[NH+](CC)C[C@H]1CCN(CCCCC(C)(C)C#N)C1 ZINC000409446488 380035576 /nfs/dbraw/zinc/03/55/76/380035576.db2.gz BRJYGSGUVCFZBV-MRXNPFEDSA-N 1 1 279.472 3.370 20 30 CGEDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000352884951 380017693 /nfs/dbraw/zinc/01/76/93/380017693.db2.gz BXJUKZBSPOXVON-CYBMUJFWSA-N 1 1 298.361 3.466 20 30 CGEDMO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1ccc(C)cc1C ZINC000267908665 190362443 /nfs/dbraw/zinc/36/24/43/190362443.db2.gz YVQITYXOCCVMEW-OAHLLOKOSA-N 1 1 272.392 3.304 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+](CCC)CC2CCCCC2)C1=O ZINC000410334473 380086525 /nfs/dbraw/zinc/08/65/25/380086525.db2.gz YOOZZLFUZPSPOS-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1cccc2c[nH]nc21 ZINC000352927525 380043642 /nfs/dbraw/zinc/04/36/42/380043642.db2.gz ANUHAISLGKRZOG-UHFFFAOYSA-N 1 1 281.359 3.387 20 30 CGEDMO CC[C@]1(C)COCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411433873 380146187 /nfs/dbraw/zinc/14/61/87/380146187.db2.gz YCOVMVQGBAPRER-OAHLLOKOSA-N 1 1 264.413 3.351 20 30 CGEDMO C=CCC(CC=C)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000268184038 190384190 /nfs/dbraw/zinc/38/41/90/190384190.db2.gz JIUVNLAQYZCRLN-MRXNPFEDSA-N 1 1 278.440 3.088 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1c(F)cncc1F ZINC000353124144 380127180 /nfs/dbraw/zinc/12/71/80/380127180.db2.gz YCKXUOWLLNRQNR-SNVBAGLBSA-N 1 1 273.286 3.082 20 30 CGEDMO C=CC[N@@H+](CCc1cncs1)CCc1ccccc1 ZINC000411199625 380134523 /nfs/dbraw/zinc/13/45/23/380134523.db2.gz ZZUXUNNGNWMCDB-UHFFFAOYSA-N 1 1 272.417 3.416 20 30 CGEDMO CCC[N@@H+](CC1CCCCC1)[C@@H](C)C(=O)N(C)CCC#N ZINC000411185215 380134654 /nfs/dbraw/zinc/13/46/54/380134654.db2.gz HIQFQKQDMAUPPT-HNNXBMFYSA-N 1 1 293.455 3.039 20 30 CGEDMO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1(C)C ZINC000353956959 380252627 /nfs/dbraw/zinc/25/26/27/380252627.db2.gz NAEBGOLGEHVDQY-DOTOQJQBSA-N 1 1 272.392 3.194 20 30 CGEDMO CCCC[N@H+](C)C[C@H](C)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353566489 380213317 /nfs/dbraw/zinc/21/33/17/380213317.db2.gz DLCQYULYZKVIIU-KBXCAEBGSA-N 1 1 285.435 3.256 20 30 CGEDMO CCCC[N@@H+](C)C[C@H](C)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353566489 380213322 /nfs/dbraw/zinc/21/33/22/380213322.db2.gz DLCQYULYZKVIIU-KBXCAEBGSA-N 1 1 285.435 3.256 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000353743284 380222573 /nfs/dbraw/zinc/22/25/73/380222573.db2.gz CCTZOFUSODANFN-MRXNPFEDSA-N 1 1 264.413 3.209 20 30 CGEDMO Cc1cn2cc(Nc3ncc(C#N)cc3Cl)ccc2[nH+]1 ZINC000354093106 380320502 /nfs/dbraw/zinc/32/05/02/380320502.db2.gz XABAXMDVQOEDGN-UHFFFAOYSA-N 1 1 283.722 3.306 20 30 CGEDMO C=CC[N@H+](CCC[C@H]1CCOC1)Cc1ccc(OC)cc1 ZINC000645780473 380729443 /nfs/dbraw/zinc/72/94/43/380729443.db2.gz SQIOPRYOFCSLMC-KRWDZBQOSA-N 1 1 289.419 3.500 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000355777072 380775361 /nfs/dbraw/zinc/77/53/61/380775361.db2.gz CFMNRODJSJICEY-MCIONIFRSA-N 1 1 272.392 3.433 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCSC[C@H]1C1CCC1 ZINC000419361651 380814878 /nfs/dbraw/zinc/81/48/78/380814878.db2.gz MUZYSXBHTSHUAS-INIZCTEOSA-N 1 1 290.407 3.415 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCSC[C@H]1C1CCC1 ZINC000419361651 380814885 /nfs/dbraw/zinc/81/48/85/380814885.db2.gz MUZYSXBHTSHUAS-INIZCTEOSA-N 1 1 290.407 3.415 20 30 CGEDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000419375983 380819165 /nfs/dbraw/zinc/81/91/65/380819165.db2.gz SJCDUSHMEQVIKD-FRRDWIJNSA-N 1 1 296.374 3.085 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCSC[C@@H]2C2CCC2)cc1 ZINC000419372062 380819959 /nfs/dbraw/zinc/81/99/59/380819959.db2.gz KCKSDHNAUFHRMH-QGZVFWFLSA-N 1 1 286.444 3.470 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC000420923589 380859181 /nfs/dbraw/zinc/85/91/81/380859181.db2.gz IDGFRHBSDJUQOZ-CHWSQXEVSA-N 1 1 253.386 3.005 20 30 CGEDMO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1CCCCC#N ZINC000420920982 380860741 /nfs/dbraw/zinc/86/07/41/380860741.db2.gz CEVZUTNFLHCZKH-KGLIPLIRSA-N 1 1 280.412 3.122 20 30 CGEDMO CC[C@@H]1C[C@H](C[N@@H+](C)Cc2ccc(C#N)cc2)CCO1 ZINC000356895239 380925713 /nfs/dbraw/zinc/92/57/13/380925713.db2.gz TUYZLMRIHVUERP-IAGOWNOFSA-N 1 1 272.392 3.195 20 30 CGEDMO CC[N@@H+](CCNc1c(Cl)cccc1C#N)C(C)C ZINC000357268796 381088584 /nfs/dbraw/zinc/08/85/84/381088584.db2.gz YWLRBFYOWNRQOM-UHFFFAOYSA-N 1 1 265.788 3.354 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)c(Cl)c1 ZINC000334804202 207108121 /nfs/dbraw/zinc/10/81/21/207108121.db2.gz LFZXQNJCQKBAJK-HOCLYGCPSA-N 1 1 290.794 3.213 20 30 CGEDMO C=C(CC)C[N@H+](C)Cc1nc2c(s1)CCCC2 ZINC000358500184 381312304 /nfs/dbraw/zinc/31/23/04/381312304.db2.gz PIGZBKBQORUNHN-UHFFFAOYSA-N 1 1 250.411 3.420 20 30 CGEDMO C=C(CC)C[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000358500184 381312306 /nfs/dbraw/zinc/31/23/06/381312306.db2.gz PIGZBKBQORUNHN-UHFFFAOYSA-N 1 1 250.411 3.420 20 30 CGEDMO CC[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)N1CCCC1 ZINC000358567860 381316049 /nfs/dbraw/zinc/31/60/49/381316049.db2.gz KCJIIFKMNZQZJW-ZFWWWQNUSA-N 1 1 289.398 3.222 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@H]1c1ccccc1 ZINC000362179795 381900831 /nfs/dbraw/zinc/90/08/31/381900831.db2.gz GYUACFYUCPZRRZ-WBVHZDCISA-N 1 1 284.403 3.023 20 30 CGEDMO COCC[N@@H+](Cc1cccc(C#N)c1F)[C@H]1CC[C@@H](C)C1 ZINC000362159179 381891234 /nfs/dbraw/zinc/89/12/34/381891234.db2.gz UTHCRTUKVLSMIP-CJNGLKHVSA-N 1 1 290.382 3.334 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](CCOc2ccc(C#N)cc2)CCS1 ZINC000362385199 381969210 /nfs/dbraw/zinc/96/92/10/381969210.db2.gz UKBSECBYPQDZSE-MRXNPFEDSA-N 1 1 290.432 3.010 20 30 CGEDMO COc1ccc2c(c1)CC[N@H+](Cc1ccc(C#N)s1)CC2 ZINC000368958872 382383348 /nfs/dbraw/zinc/38/33/48/382383348.db2.gz ZXRFKDIUZWFJIJ-UHFFFAOYSA-N 1 1 298.411 3.229 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)c1 ZINC000335248535 208021808 /nfs/dbraw/zinc/02/18/08/208021808.db2.gz JPPKWHDTBVHMTN-AEFFLSMTSA-N 1 1 296.345 3.005 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)c1 ZINC000335248535 208021813 /nfs/dbraw/zinc/02/18/13/208021813.db2.gz JPPKWHDTBVHMTN-AEFFLSMTSA-N 1 1 296.345 3.005 20 30 CGEDMO C#CC[N@@H+](C)Cc1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC000192234559 533109978 /nfs/dbraw/zinc/10/99/78/533109978.db2.gz ISGZWCGBWBDWBD-UHFFFAOYSA-N 1 1 285.778 3.170 20 30 CGEDMO C#CC[N@H+](C)Cc1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC000192234559 533109981 /nfs/dbraw/zinc/10/99/81/533109981.db2.gz ISGZWCGBWBDWBD-UHFFFAOYSA-N 1 1 285.778 3.170 20 30 CGEDMO COC(=O)C(C)(C)CC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425365289 533126731 /nfs/dbraw/zinc/12/67/31/533126731.db2.gz JVKQPTFRDDKXIA-ZDUSSCGKSA-N 1 1 288.391 3.140 20 30 CGEDMO C=CCC[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309917172 542427877 /nfs/dbraw/zinc/42/78/77/542427877.db2.gz OXBNTAWMLQQAHP-RDJZCZTQSA-N 1 1 258.409 3.063 20 30 CGEDMO N#CCCCC[N@H+]1CCc2sc(Cl)cc2C1 ZINC000575056610 335059870 /nfs/dbraw/zinc/05/98/70/335059870.db2.gz IFVHNPLMLDZOGH-UHFFFAOYSA-N 1 1 254.786 3.453 20 30 CGEDMO N#CCCCC[N@@H+]1CCc2sc(Cl)cc2C1 ZINC000575056610 335059872 /nfs/dbraw/zinc/05/98/72/335059872.db2.gz IFVHNPLMLDZOGH-UHFFFAOYSA-N 1 1 254.786 3.453 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000334513757 262267574 /nfs/dbraw/zinc/26/75/74/262267574.db2.gz MXESHKKRJNGGHR-LBPRGKRZSA-N 1 1 277.330 3.244 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2cccc(F)c2)c1 ZINC000281565303 195290051 /nfs/dbraw/zinc/29/00/51/195290051.db2.gz CZWJRPSFFBBEMH-ZWKOTPCHSA-N 1 1 296.345 3.005 20 30 CGEDMO N#Cc1cccc(C[N@H+]2C[C@@H](O)C[C@@H]2c2cccc(F)c2)c1 ZINC000281565303 195290054 /nfs/dbraw/zinc/29/00/54/195290054.db2.gz CZWJRPSFFBBEMH-ZWKOTPCHSA-N 1 1 296.345 3.005 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](CNc2cc(Cl)ccc2C#N)C1 ZINC000062785369 392133630 /nfs/dbraw/zinc/13/36/30/392133630.db2.gz RSADWWLQVHXRIQ-LBPRGKRZSA-N 1 1 277.799 3.354 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C)cc1 ZINC000282178865 392284333 /nfs/dbraw/zinc/28/43/33/392284333.db2.gz FNDDVLUSZYUAIA-MAUKXSAKSA-N 1 1 287.403 3.088 20 30 CGEDMO C=CC[N@@H+](CCc1cscn1)Cc1cccc(C#N)c1 ZINC000283654469 392307496 /nfs/dbraw/zinc/30/74/96/392307496.db2.gz BJUQWWGMZXGHHQ-UHFFFAOYSA-N 1 1 283.400 3.245 20 30 CGEDMO C=CCN1CCC([NH2+][C@H](CC)c2ccc(F)cc2O)CC1 ZINC000286089451 392374102 /nfs/dbraw/zinc/37/41/02/392374102.db2.gz MQINWUGRWXBMGH-MRXNPFEDSA-N 1 1 292.398 3.222 20 30 CGEDMO C(#Cc1ccccc1)C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000289484409 392422783 /nfs/dbraw/zinc/42/27/83/392422783.db2.gz IOYJVSLAZDNOKU-QZTJIDSGSA-N 1 1 281.399 3.072 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000289484409 392422787 /nfs/dbraw/zinc/42/27/87/392422787.db2.gz IOYJVSLAZDNOKU-QZTJIDSGSA-N 1 1 281.399 3.072 20 30 CGEDMO C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)CC1CC1 ZINC000122888797 392425346 /nfs/dbraw/zinc/42/53/46/392425346.db2.gz NRUFPRJJEXOCCR-UHFFFAOYSA-N 1 1 294.402 3.306 20 30 CGEDMO C#Cc1ccc(C[NH2+][C@H](C)c2nnc([C@H](C)CC)[nH]2)cc1 ZINC000289703710 392429956 /nfs/dbraw/zinc/42/99/56/392429956.db2.gz NQLVMPMSJPFHCP-CHWSQXEVSA-N 1 1 282.391 3.150 20 30 CGEDMO C=CC[N@H+](CCCC(=O)CC)Cc1cccc(C#N)c1 ZINC000289970866 392438090 /nfs/dbraw/zinc/43/80/90/392438090.db2.gz JCDNFODCCSFSAW-UHFFFAOYSA-N 1 1 270.376 3.306 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000121120844 392409460 /nfs/dbraw/zinc/40/94/60/392409460.db2.gz YCNNJNITEDDBEE-CQSZACIVSA-N 1 1 253.773 3.099 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(C)nc1)Cc1cccc(C#N)c1 ZINC000153793806 392529561 /nfs/dbraw/zinc/52/95/61/392529561.db2.gz PKIYUWFBLOSKAL-UHFFFAOYSA-N 1 1 277.371 3.450 20 30 CGEDMO C=CC[N@H+](Cc1ccc(C)nc1)Cc1cccc(C#N)c1 ZINC000153793806 392529565 /nfs/dbraw/zinc/52/95/65/392529565.db2.gz PKIYUWFBLOSKAL-UHFFFAOYSA-N 1 1 277.371 3.450 20 30 CGEDMO Cc1[nH+]ccn1-c1ccc(NCc2cccc(C#N)c2)cn1 ZINC000372529554 392617916 /nfs/dbraw/zinc/61/79/16/392617916.db2.gz RIZBLYAENSRTDK-UHFFFAOYSA-N 1 1 289.342 3.060 20 30 CGEDMO C=CC[C@H](CO)Nc1cc[nH+]c2ccc(Cl)cc12 ZINC000302113461 392610516 /nfs/dbraw/zinc/61/05/16/392610516.db2.gz BKMFLOGGCHASSE-LLVKDONJSA-N 1 1 262.740 3.237 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2nccs2)cc1 ZINC000372433967 392611722 /nfs/dbraw/zinc/61/17/22/392611722.db2.gz STOQJRLHHNDQCX-MRXNPFEDSA-N 1 1 298.411 3.492 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC[C@@H]2c2nccs2)cc1 ZINC000372433967 392611724 /nfs/dbraw/zinc/61/17/24/392611724.db2.gz STOQJRLHHNDQCX-MRXNPFEDSA-N 1 1 298.411 3.492 20 30 CGEDMO C=CC[C@@H](CC)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000374160750 392671423 /nfs/dbraw/zinc/67/14/23/392671423.db2.gz LFFBLJREUHMXQO-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO CC(C)c1scnc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000329406926 392680503 /nfs/dbraw/zinc/68/05/03/392680503.db2.gz CFVLLWLMZUFHON-WDEREUQCSA-N 1 1 296.440 3.075 20 30 CGEDMO CC[N@@H+](Cc1cnc2ccc(C#N)cn12)C1CCCCC1 ZINC000505253272 392653341 /nfs/dbraw/zinc/65/33/41/392653341.db2.gz DHKRUHPBDRMDJT-UHFFFAOYSA-N 1 1 282.391 3.361 20 30 CGEDMO Cc1ccc(C#N)c(N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000180430951 392709223 /nfs/dbraw/zinc/70/92/23/392709223.db2.gz IZXVOXMYSZZCQU-VNHYZAJKSA-N 1 1 286.423 3.040 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](OCC3CC3)C2)c(F)c1 ZINC000375314183 392766400 /nfs/dbraw/zinc/76/64/00/392766400.db2.gz LBVQAEZKGMMZCV-INIZCTEOSA-N 1 1 288.366 3.088 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](OCC3CC3)C2)c(F)c1 ZINC000375314183 392766407 /nfs/dbraw/zinc/76/64/07/392766407.db2.gz LBVQAEZKGMMZCV-INIZCTEOSA-N 1 1 288.366 3.088 20 30 CGEDMO C[C@H]1SCC[N@@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC000192031487 392838525 /nfs/dbraw/zinc/83/85/25/392838525.db2.gz OIDHOHUGYUVAMC-GHMZBOCLSA-N 1 1 264.369 3.023 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)N1CCC2(CCC[N@H+]2C)CC1 ZINC000335111472 392773339 /nfs/dbraw/zinc/77/33/39/392773339.db2.gz PYPRQSAJWAOELW-OAHLLOKOSA-N 1 1 283.419 3.179 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H](OCC(C)C)C1 ZINC000186256978 392780683 /nfs/dbraw/zinc/78/06/83/392780683.db2.gz VRQRRLHCGZUKDY-KRWDZBQOSA-N 1 1 272.392 3.114 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCS[C@@H](C(C)C)C1 ZINC000186245780 392780816 /nfs/dbraw/zinc/78/08/16/392780816.db2.gz CTYJIAWYSZGGDD-MRXNPFEDSA-N 1 1 274.433 3.440 20 30 CGEDMO N#Cc1cccc(OCC[NH2+]C2(C(F)F)CCCCC2)c1 ZINC000510115207 392784560 /nfs/dbraw/zinc/78/45/60/392784560.db2.gz XNLYRVLUYNLTTN-UHFFFAOYSA-N 1 1 294.345 3.495 20 30 CGEDMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1ccc(C#N)cn1 ZINC000519806586 392895277 /nfs/dbraw/zinc/89/52/77/392895277.db2.gz UIELCVGXXVEPPD-CJNGLKHVSA-N 1 1 295.361 3.470 20 30 CGEDMO C[C@H](C#N)C[N@H+](CCCOc1ccc(F)cc1)C1CC1 ZINC000338350860 392910481 /nfs/dbraw/zinc/91/04/81/392910481.db2.gz PWYKHWHQFFZJCL-CYBMUJFWSA-N 1 1 276.355 3.219 20 30 CGEDMO C[C@H](C#N)C[N@@H+](CCCOc1ccc(F)cc1)C1CC1 ZINC000338350860 392910484 /nfs/dbraw/zinc/91/04/84/392910484.db2.gz PWYKHWHQFFZJCL-CYBMUJFWSA-N 1 1 276.355 3.219 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@H]1c1ccc(C)s1 ZINC000339003170 392939313 /nfs/dbraw/zinc/93/93/13/392939313.db2.gz XRZPZOASFDOAIG-ZDUSSCGKSA-N 1 1 251.395 3.396 20 30 CGEDMO CC#CC[N@@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000525625542 392940236 /nfs/dbraw/zinc/94/02/36/392940236.db2.gz RTNJSZSYMHKNPO-UHFFFAOYSA-N 1 1 269.388 3.389 20 30 CGEDMO C=CCOCC[N@@H+]1CCc2c(F)cc(F)cc2[C@H]1C ZINC000339016670 392941056 /nfs/dbraw/zinc/94/10/56/392941056.db2.gz CUHHBBXWAPJSAZ-LLVKDONJSA-N 1 1 267.319 3.087 20 30 CGEDMO C=CCOCC[N@H+]1CCc2c(F)cc(F)cc2[C@H]1C ZINC000339016670 392941067 /nfs/dbraw/zinc/94/10/67/392941067.db2.gz CUHHBBXWAPJSAZ-LLVKDONJSA-N 1 1 267.319 3.087 20 30 CGEDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000194937748 392947277 /nfs/dbraw/zinc/94/72/77/392947277.db2.gz KPCCXWCEZLWHDK-KRWDZBQOSA-N 1 1 290.382 3.478 20 30 CGEDMO CC(C)O[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000404106371 392962778 /nfs/dbraw/zinc/96/27/78/392962778.db2.gz YKQNUQHNVAPCAW-OAHLLOKOSA-N 1 1 276.355 3.087 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+]1CCC(F)(F)C[C@H]1C ZINC000528766127 392971249 /nfs/dbraw/zinc/97/12/49/392971249.db2.gz CVWPXUWBUJIGNH-LLVKDONJSA-N 1 1 280.318 3.186 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC(F)(F)C[C@H]1C ZINC000528766127 392971253 /nfs/dbraw/zinc/97/12/53/392971253.db2.gz CVWPXUWBUJIGNH-LLVKDONJSA-N 1 1 280.318 3.186 20 30 CGEDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411616908 392982678 /nfs/dbraw/zinc/98/26/78/392982678.db2.gz NHEHZNZLMZLFMA-OAGGEKHMSA-N 1 1 278.440 3.332 20 30 CGEDMO COC[C@H]1CCCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411810580 392988841 /nfs/dbraw/zinc/98/88/41/392988841.db2.gz QWDFTHHLPWAPMZ-OAHLLOKOSA-N 1 1 264.413 3.351 20 30 CGEDMO N#CCc1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000411921154 392990902 /nfs/dbraw/zinc/99/09/02/392990902.db2.gz HFVDADQRNWOCGL-RBUKOAKNSA-N 1 1 292.382 3.061 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@H]2CC[C@@H](C#N)C2)cc1Cl ZINC000412024037 392993157 /nfs/dbraw/zinc/99/31/57/392993157.db2.gz BCSNTBGUJTZDCA-YPMHNXCESA-N 1 1 278.783 3.473 20 30 CGEDMO C[C@@H]1CCC[C@@H]([N@@H+](C)C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000218568589 392997437 /nfs/dbraw/zinc/99/74/37/392997437.db2.gz IOLBALPSBZUJLI-KBRIMQKVSA-N 1 1 272.392 3.102 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1 ZINC000342829063 393008474 /nfs/dbraw/zinc/00/84/74/393008474.db2.gz ZNLPKWUTVVEKNZ-QZTJIDSGSA-N 1 1 287.403 3.395 20 30 CGEDMO C=CCCCCCN(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000346339240 393083572 /nfs/dbraw/zinc/08/35/72/393083572.db2.gz PGNNNKAXTVGXRK-GASCZTMLSA-N 1 1 266.429 3.064 20 30 CGEDMO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)CCC(C)(C)C#N ZINC000345734875 393066787 /nfs/dbraw/zinc/06/67/87/393066787.db2.gz YPAVNVOTUBSNAJ-UONOGXRCSA-N 1 1 266.429 3.452 20 30 CGEDMO COc1ccccc1/C=C\C[NH+]1CCC(F)(C#N)CC1 ZINC000348718237 393129443 /nfs/dbraw/zinc/12/94/43/393129443.db2.gz WRWDKEGXFYRAHQ-XQRVVYSFSA-N 1 1 274.339 3.036 20 30 CGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1[C@H](C)C[C@@H]1C ZINC000547769609 393145182 /nfs/dbraw/zinc/14/51/82/393145182.db2.gz CLMRIELNVAWATE-OUAUKWLOSA-N 1 1 291.782 3.021 20 30 CGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+]1[C@H](C)C[C@@H]1C ZINC000547769609 393145189 /nfs/dbraw/zinc/14/51/89/393145189.db2.gz CLMRIELNVAWATE-OUAUKWLOSA-N 1 1 291.782 3.021 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[NH+]1CC(C(F)(F)F)C1 ZINC000570604725 393196584 /nfs/dbraw/zinc/19/65/84/393196584.db2.gz SMCHWVMFSVIHJP-UHFFFAOYSA-N 1 1 282.309 3.482 20 30 CGEDMO C=CC[NH+](CC=C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000355453326 393328806 /nfs/dbraw/zinc/32/88/06/393328806.db2.gz HERBBHXZSFWRLB-KBPBESRZSA-N 1 1 290.382 3.065 20 30 CGEDMO CC(=O)c1ccc(C#N)c(NCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000273234254 393273837 /nfs/dbraw/zinc/27/38/37/393273837.db2.gz RZOGYPLBVGUSRO-ZDUSSCGKSA-N 1 1 285.391 3.047 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+](C)CC(C)(C)c1ccc(C)cc1 ZINC000649324169 393401415 /nfs/dbraw/zinc/40/14/15/393401415.db2.gz LXLOVJWIWPSYDG-INIZCTEOSA-N 1 1 261.409 3.141 20 30 CGEDMO Cc1cc(C[N@@H+](C)CCc2ccccc2O)ccc1C#N ZINC000488298104 393481808 /nfs/dbraw/zinc/48/18/08/393481808.db2.gz MKKKEXFAGVDLPL-UHFFFAOYSA-N 1 1 280.371 3.247 20 30 CGEDMO C=CC[C@@H](C(=O)NCC[N@H+](C)CCCC)c1ccccc1 ZINC000426835148 393451840 /nfs/dbraw/zinc/45/18/40/393451840.db2.gz QDACDJWSZVGAQJ-QGZVFWFLSA-N 1 1 288.435 3.194 20 30 CGEDMO CO[C@H](C)C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000360003545 393558041 /nfs/dbraw/zinc/55/80/41/393558041.db2.gz JRASEWARIRYGIJ-CQSZACIVSA-N 1 1 260.381 3.051 20 30 CGEDMO C[C@@H](CCN(C)C)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360837727 393596001 /nfs/dbraw/zinc/59/60/01/393596001.db2.gz RBDRICJRCOOSEW-KBXCAEBGSA-N 1 1 285.435 3.256 20 30 CGEDMO CC(C)[N@H+](C)CCN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360841308 393596535 /nfs/dbraw/zinc/59/65/35/393596535.db2.gz RIVDLZXAYLAPJA-SFHVURJKSA-N 1 1 285.435 3.256 20 30 CGEDMO CC(C)[N@@H+](C)CCN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360841308 393596541 /nfs/dbraw/zinc/59/65/41/393596541.db2.gz RIVDLZXAYLAPJA-SFHVURJKSA-N 1 1 285.435 3.256 20 30 CGEDMO Cn1cc(C[N@@H+](C)Cc2ccc(F)c(Cl)c2)cc1C#N ZINC000432792126 393641564 /nfs/dbraw/zinc/64/15/64/393641564.db2.gz IVSBMUOGPHYQPE-UHFFFAOYSA-N 1 1 291.757 3.321 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1Cc2ccccc2[C@H]1C ZINC000361058771 393660055 /nfs/dbraw/zinc/66/00/55/393660055.db2.gz QNVLXRQNERHGCL-HUUCEWRRSA-N 1 1 284.403 3.152 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1Cc2ccccc2[C@H]1C ZINC000361058771 393660062 /nfs/dbraw/zinc/66/00/62/393660062.db2.gz QNVLXRQNERHGCL-HUUCEWRRSA-N 1 1 284.403 3.152 20 30 CGEDMO C#C[C@H]([NH2+]Cc1cccnc1)c1ccc(Cl)cc1 ZINC000491461404 393691302 /nfs/dbraw/zinc/69/13/02/393691302.db2.gz DQRKBUMJXRLVQO-HNNXBMFYSA-N 1 1 256.736 3.199 20 30 CGEDMO Cc1cc(C[NH2+]C[C@@H](C(C)C)N2CCCC2)ccc1C#N ZINC000443989097 393780078 /nfs/dbraw/zinc/78/00/78/393780078.db2.gz KEIGISNXIJRRFL-SFHVURJKSA-N 1 1 285.435 3.077 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](CC(C)C)C1 ZINC000501212134 393848445 /nfs/dbraw/zinc/84/84/45/393848445.db2.gz UZFZIRFINBXPBL-OAHLLOKOSA-N 1 1 272.392 3.435 20 30 CGEDMO CCCc1ncc(C[NH2+]Cc2ccc(C#N)c(C)c2)o1 ZINC000449612976 393920873 /nfs/dbraw/zinc/92/08/73/393920873.db2.gz PWERDWUYGCNQPT-UHFFFAOYSA-N 1 1 269.348 3.097 20 30 CGEDMO CCO[C@@H]1CC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C[C@H]1C ZINC000451526758 394045820 /nfs/dbraw/zinc/04/58/20/394045820.db2.gz GXZLHXBJZHNDDU-JKIFEVAISA-N 1 1 272.392 3.366 20 30 CGEDMO C[C@@H](NCC[N@H+]1CCCC1(C)C)c1ccc(C#N)cc1 ZINC000453408986 394237324 /nfs/dbraw/zinc/23/73/24/394237324.db2.gz WGMMLJHXTPMRQM-CQSZACIVSA-N 1 1 271.408 3.083 20 30 CGEDMO C[C@@H]([NH2+]CCN1CCCC1(C)C)c1ccc(C#N)cc1 ZINC000453408986 394237327 /nfs/dbraw/zinc/23/73/27/394237327.db2.gz WGMMLJHXTPMRQM-CQSZACIVSA-N 1 1 271.408 3.083 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(O[C@H](C)COC)cc1 ZINC000667943546 542946954 /nfs/dbraw/zinc/94/69/54/542946954.db2.gz SUDRRILDVSLMDT-CQSZACIVSA-N 1 1 263.381 3.108 20 30 CGEDMO C[C@H](C1CC1)[N@@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000735309898 572714125 /nfs/dbraw/zinc/71/41/25/572714125.db2.gz MZNWBZXWNOOUBV-LLVKDONJSA-N 1 1 278.783 3.473 20 30 CGEDMO FC1(F)C[C@]12CC[N@@H+](CC#Cc1cccc(Cl)c1)C2 ZINC000649906846 397750658 /nfs/dbraw/zinc/75/06/58/397750658.db2.gz DJOFEKBJQDPOKQ-AWEZNQCLSA-N 1 1 281.733 3.423 20 30 CGEDMO CC(C)(C)C[N@H+](CC#Cc1ccccc1Cl)CCO ZINC000676715513 543412894 /nfs/dbraw/zinc/41/28/94/543412894.db2.gz OHVWGESKBKVRIE-UHFFFAOYSA-N 1 1 279.811 3.032 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000677476734 543450334 /nfs/dbraw/zinc/45/03/34/543450334.db2.gz CZQGTSKWDDXHDM-KGLIPLIRSA-N 1 1 288.416 3.370 20 30 CGEDMO CCC#C[C@@H](C)[NH+]1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000677475541 543450610 /nfs/dbraw/zinc/45/06/10/543450610.db2.gz BBKXPYZGOVYDCF-CQSZACIVSA-N 1 1 297.402 3.181 20 30 CGEDMO C=C(C)[C@@H](CO)[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000678049840 543479380 /nfs/dbraw/zinc/47/93/80/543479380.db2.gz OZVJCOAMHBEBJL-MRXNPFEDSA-N 1 1 277.795 3.366 20 30 CGEDMO CCO[C@@H]1C[C@H]([N@@H+](C)CC2(C#N)CC2)C1(CC)CC ZINC000347479067 286332094 /nfs/dbraw/zinc/33/20/94/286332094.db2.gz MLOPMLNQZMHNSG-UONOGXRCSA-N 1 1 264.413 3.206 20 30 CGEDMO CC[N@H+](Cc1cn2ccccc2c1C#N)CC1CC1 ZINC000070013101 165056193 /nfs/dbraw/zinc/05/61/93/165056193.db2.gz AZDAIUGGBQYALJ-UHFFFAOYSA-N 1 1 253.349 3.043 20 30 CGEDMO COc1ccc(OC)c(C[N@H+](C)Cc2cccc(C#N)c2)c1 ZINC000073615353 165081777 /nfs/dbraw/zinc/08/17/77/165081777.db2.gz UVVIMZBJEXBTAI-UHFFFAOYSA-N 1 1 296.370 3.207 20 30 CGEDMO COc1ccc(OC)c(C[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC000073615353 165081779 /nfs/dbraw/zinc/08/17/79/165081779.db2.gz UVVIMZBJEXBTAI-UHFFFAOYSA-N 1 1 296.370 3.207 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)o1 ZINC000092121045 165283834 /nfs/dbraw/zinc/28/38/34/165283834.db2.gz WGIZVIWYLULZPH-OAHLLOKOSA-N 1 1 284.334 3.497 20 30 CGEDMO C[C@@H](c1cccnc1)[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000093236012 165324351 /nfs/dbraw/zinc/32/43/51/165324351.db2.gz QABLDBITJOFUPB-HNNXBMFYSA-N 1 1 295.386 3.415 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000292141315 287131534 /nfs/dbraw/zinc/13/15/34/287131534.db2.gz MLKDVRFEAUZISU-KBXCAEBGSA-N 1 1 284.403 3.368 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2C2CCOCC2)s1 ZINC000336443495 165862812 /nfs/dbraw/zinc/86/28/12/165862812.db2.gz ZRSKYWVKUPNXKB-HNNXBMFYSA-N 1 1 276.405 3.011 20 30 CGEDMO Cc1cccc(N2CC[NH+](Cc3ccc(C#N)s3)CC2)c1 ZINC000121991512 287205180 /nfs/dbraw/zinc/20/51/80/287205180.db2.gz GLINFXACBKMDFG-UHFFFAOYSA-N 1 1 297.427 3.250 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2cccc(F)c2)c(F)c1 ZINC000020473606 171217262 /nfs/dbraw/zinc/21/72/62/171217262.db2.gz CDCWVGCSMVAGEV-UHFFFAOYSA-N 1 1 258.271 3.126 20 30 CGEDMO C[C@H]1SCC[N@@H+](CCCOc2cccc(C#N)c2)[C@@H]1C ZINC000127298749 287285237 /nfs/dbraw/zinc/28/52/37/287285237.db2.gz ZOVHINVMHSBWAR-ZIAGYGMSSA-N 1 1 290.432 3.153 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCC(=O)OC(C)(C)C ZINC000128194093 287305473 /nfs/dbraw/zinc/30/54/73/287305473.db2.gz LYEVYPGMPHIABQ-ZDUSSCGKSA-N 1 1 288.391 3.283 20 30 CGEDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1ccc(C#N)cn1 ZINC000071954799 176304160 /nfs/dbraw/zinc/30/41/60/176304160.db2.gz BZGMSFZZTICJKC-UHFFFAOYSA-N 1 1 294.402 3.406 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000680113974 543685697 /nfs/dbraw/zinc/68/56/97/543685697.db2.gz ZUBKOISLTMWPIF-RDJZCZTQSA-N 1 1 259.393 3.030 20 30 CGEDMO N#CC1(C[N@@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)CC1 ZINC000334644993 225237545 /nfs/dbraw/zinc/23/75/45/225237545.db2.gz SZEUTRMZGBLMJT-INIZCTEOSA-N 1 1 282.387 3.144 20 30 CGEDMO N#CC1(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)CC1 ZINC000334644993 225237550 /nfs/dbraw/zinc/23/75/50/225237550.db2.gz SZEUTRMZGBLMJT-INIZCTEOSA-N 1 1 282.387 3.144 20 30 CGEDMO N#C[C@H]1CC[C@H]([N@H+]2CCCc3ccccc3CC2)C1 ZINC000334634327 225181164 /nfs/dbraw/zinc/18/11/64/225181164.db2.gz DHZXBMMWFVETRD-YOEHRIQHSA-N 1 1 254.377 3.170 20 30 CGEDMO CC#CCC[N@@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000680883396 543741518 /nfs/dbraw/zinc/74/15/18/543741518.db2.gz QHJCHGYGVRQHSK-ROUUACIJSA-N 1 1 271.404 3.500 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000683012720 543888512 /nfs/dbraw/zinc/88/85/12/543888512.db2.gz YPLVBVGTBBHPOP-GOSISDBHSA-N 1 1 262.356 3.270 20 30 CGEDMO C=CCC[N@H+]1CCOc2c(Br)cccc2C1 ZINC000684207877 543972465 /nfs/dbraw/zinc/97/24/65/543972465.db2.gz AZLZCBAMCJBNTB-UHFFFAOYSA-N 1 1 282.181 3.220 20 30 CGEDMO C=CCC[N@@H+]1CCOc2c(Br)cccc2C1 ZINC000684207877 543972467 /nfs/dbraw/zinc/97/24/67/543972467.db2.gz AZLZCBAMCJBNTB-UHFFFAOYSA-N 1 1 282.181 3.220 20 30 CGEDMO CCn1cncc1C[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000417942024 227246547 /nfs/dbraw/zinc/24/65/47/227246547.db2.gz BCCAQPDZJDBSLU-INIZCTEOSA-N 1 1 268.364 3.038 20 30 CGEDMO C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)c1ccon1 ZINC000329194195 227348367 /nfs/dbraw/zinc/34/83/67/227348367.db2.gz UNICKBGZCIWUHZ-FZMZJTMJSA-N 1 1 277.368 3.099 20 30 CGEDMO C=CCCn1cc(C[N@H+](C)[C@@H](CC)Cc2ccccc2)nn1 ZINC000653559700 419047651 /nfs/dbraw/zinc/04/76/51/419047651.db2.gz OTCVVUFCRLIJAV-SFHVURJKSA-N 1 1 298.434 3.307 20 30 CGEDMO C=CCCCCCNC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654666958 418993946 /nfs/dbraw/zinc/99/39/46/418993946.db2.gz IAFJLHLORJBQLV-JKSUJKDBSA-N 1 1 293.455 3.049 20 30 CGEDMO C=CCCCCCNC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654666955 418993970 /nfs/dbraw/zinc/99/39/70/418993970.db2.gz IAFJLHLORJBQLV-CVEARBPZSA-N 1 1 293.455 3.049 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1cc(C2CC2)no1 ZINC000660223773 419104313 /nfs/dbraw/zinc/10/43/13/419104313.db2.gz FPUKEIJABCQGLA-UHFFFAOYSA-N 1 1 272.348 3.376 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cccc(SC)c1 ZINC000660404292 419137333 /nfs/dbraw/zinc/13/73/33/419137333.db2.gz XKSBDLALYLAQGA-UHFFFAOYSA-N 1 1 251.395 3.043 20 30 CGEDMO C=C[C@@H]1CCCCN1CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660430422 419142727 /nfs/dbraw/zinc/14/27/27/419142727.db2.gz TZVODVUKHDSPPR-OWCLPIDISA-N 1 1 250.430 3.005 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000660667805 419181301 /nfs/dbraw/zinc/18/13/01/419181301.db2.gz QKRIDLQELLVPIA-UHFFFAOYSA-N 1 1 266.335 3.053 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cccc(C(=O)N(C)C)c2)C1 ZINC000661378536 419255257 /nfs/dbraw/zinc/25/52/57/419255257.db2.gz IKKOPRAITFBRNF-HNNXBMFYSA-N 1 1 286.419 3.177 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC000661387609 419256488 /nfs/dbraw/zinc/25/64/88/419256488.db2.gz YZAJNBIVQZENJP-CQSZACIVSA-N 1 1 261.413 3.426 20 30 CGEDMO C=CC[C@H](CC)NC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000661121758 419232589 /nfs/dbraw/zinc/23/25/89/419232589.db2.gz GDAIJDIUDCJVQO-GJZGRUSLSA-N 1 1 293.455 3.047 20 30 CGEDMO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nnsc1Cl ZINC000661118631 419232760 /nfs/dbraw/zinc/23/27/60/419232760.db2.gz IKGFDZMZWGVMJA-NXEZZACHSA-N 1 1 271.817 3.416 20 30 CGEDMO CCC#C[C@@H](C)[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000662049953 419328787 /nfs/dbraw/zinc/32/87/87/419328787.db2.gz DDHJAOQQZOQORH-MFKMUULPSA-N 1 1 286.202 3.418 20 30 CGEDMO C[C@H](C1CC1)n1cc(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)cn1 ZINC000330217659 228069659 /nfs/dbraw/zinc/06/96/59/228069659.db2.gz IQGAQRQOMOSRBF-ABAIWWIYSA-N 1 1 288.395 3.069 20 30 CGEDMO C[C@H](C1CC1)n1cc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)cn1 ZINC000330217659 228069662 /nfs/dbraw/zinc/06/96/62/228069662.db2.gz IQGAQRQOMOSRBF-ABAIWWIYSA-N 1 1 288.395 3.069 20 30 CGEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000331838346 228131652 /nfs/dbraw/zinc/13/16/52/228131652.db2.gz SIQJAPDECKQGSC-QGZVFWFLSA-N 1 1 294.402 3.430 20 30 CGEDMO Cc1cc([C@H]2CCC[N@H+]2CCCC(C)(C)C#N)on1 ZINC000332409010 228158363 /nfs/dbraw/zinc/15/83/63/228158363.db2.gz ZFEYJMXZGVRFPL-CYBMUJFWSA-N 1 1 261.369 3.450 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccc(C)c(F)c1 ZINC000662081066 419333823 /nfs/dbraw/zinc/33/38/23/419333823.db2.gz SZQWRCQDISNHSE-GASCZTMLSA-N 1 1 288.366 3.256 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1nc2ccccc2c(=O)[nH]1 ZINC000662087899 419334402 /nfs/dbraw/zinc/33/44/02/419334402.db2.gz OSXMKDCQWPNQIE-OKILXGFUSA-N 1 1 295.386 3.061 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc2ccccc2n1C ZINC000662087679 419334574 /nfs/dbraw/zinc/33/45/74/419334574.db2.gz HSKMDUKAETYERP-OKILXGFUSA-N 1 1 267.376 3.256 20 30 CGEDMO C=CCC[C@H](N[C@H]1CC[N@@H+](CCC)C1)c1ccco1 ZINC000658287537 419736664 /nfs/dbraw/zinc/73/66/64/419736664.db2.gz ZZYFBNJOHIKGCM-GJZGRUSLSA-N 1 1 262.397 3.361 20 30 CGEDMO C=CCC[C@H](N[C@H]1CC[N@H+](CCC)C1)c1ccco1 ZINC000658287537 419736676 /nfs/dbraw/zinc/73/66/76/419736676.db2.gz ZZYFBNJOHIKGCM-GJZGRUSLSA-N 1 1 262.397 3.361 20 30 CGEDMO C=C(C)C[N@H+](CCc1cncn1C)Cc1ccccc1 ZINC000297828981 260136193 /nfs/dbraw/zinc/13/61/93/260136193.db2.gz ZMMDTHMSBVPDCS-UHFFFAOYSA-N 1 1 269.392 3.041 20 30 CGEDMO C[N@@H+](CCCCC#N)Cc1nc2ccccc2s1 ZINC000071115220 260271974 /nfs/dbraw/zinc/27/19/74/260271974.db2.gz BAFSGNDHDYGNHF-UHFFFAOYSA-N 1 1 259.378 3.422 20 30 CGEDMO CC(C)C(N)=[NH+]OCc1ncc(-c2cccc(Cl)c2)o1 ZINC000128557656 260819636 /nfs/dbraw/zinc/81/96/36/260819636.db2.gz KAAVZBFUSJMZOO-UHFFFAOYSA-N 1 1 293.754 3.440 20 30 CGEDMO C[N@H+](Cc1nccn1C(F)F)CC(C)(C)CCC#N ZINC000155036129 261097103 /nfs/dbraw/zinc/09/71/03/261097103.db2.gz DOSSQXIFOAXZQN-UHFFFAOYSA-N 1 1 270.327 3.040 20 30 CGEDMO C[N@@H+](Cc1nccn1C(F)F)CC(C)(C)CCC#N ZINC000155036129 261097104 /nfs/dbraw/zinc/09/71/04/261097104.db2.gz DOSSQXIFOAXZQN-UHFFFAOYSA-N 1 1 270.327 3.040 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000448357417 261125289 /nfs/dbraw/zinc/12/52/89/261125289.db2.gz YGQXRWRUYQOYTE-QGZVFWFLSA-N 1 1 289.419 3.498 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000448357417 261125291 /nfs/dbraw/zinc/12/52/91/261125291.db2.gz YGQXRWRUYQOYTE-QGZVFWFLSA-N 1 1 289.419 3.498 20 30 CGEDMO CCC(CC)C[N@H+](CCC#N)C[C@@H](O)c1ccc(C#N)cc1 ZINC000156629982 261127970 /nfs/dbraw/zinc/12/79/70/261127970.db2.gz HFUPWHDZVZVUAG-GOSISDBHSA-N 1 1 299.418 3.244 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)C[C@@H](O)c1ccc(C#N)cc1 ZINC000156629982 261127971 /nfs/dbraw/zinc/12/79/71/261127971.db2.gz HFUPWHDZVZVUAG-GOSISDBHSA-N 1 1 299.418 3.244 20 30 CGEDMO C#CC[N@H+](Cc1nc(-c2ccoc2)no1)C1CCCCC1 ZINC000490615489 261168639 /nfs/dbraw/zinc/16/86/39/261168639.db2.gz FJEQKDLAMPNIKS-UHFFFAOYSA-N 1 1 285.347 3.098 20 30 CGEDMO C#CC[N@@H+](Cc1nc(-c2ccoc2)no1)C1CCCCC1 ZINC000490615489 261168641 /nfs/dbraw/zinc/16/86/41/261168641.db2.gz FJEQKDLAMPNIKS-UHFFFAOYSA-N 1 1 285.347 3.098 20 30 CGEDMO C#CC[N@@H+](CC[C@@H]1CCOC1)[C@H]1CCc2ccccc21 ZINC000490714835 261191405 /nfs/dbraw/zinc/19/14/05/261191405.db2.gz RMDVXWZIKQMUHH-QAPCUYQASA-N 1 1 269.388 3.036 20 30 CGEDMO COCC[N@@H+](Cc1ccccc1)CC(C)(C)CCC#N ZINC000160455798 261214624 /nfs/dbraw/zinc/21/46/24/261214624.db2.gz YXGFRENDSMQSMI-UHFFFAOYSA-N 1 1 274.408 3.465 20 30 CGEDMO N#CCCCC[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000175952600 261257036 /nfs/dbraw/zinc/25/70/36/261257036.db2.gz HMRYWLXHWADBTM-SFHVURJKSA-N 1 1 286.419 3.404 20 30 CGEDMO C=CC[N@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000103142523 261274439 /nfs/dbraw/zinc/27/44/39/261274439.db2.gz VAGHIDCLOQWXPA-UHFFFAOYSA-N 1 1 270.351 3.451 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cn1)[C@@H]1CCc2ccccc21 ZINC000491251648 261389103 /nfs/dbraw/zinc/38/91/03/261389103.db2.gz BCAXAAOCZVJUCN-GOSISDBHSA-N 1 1 280.346 3.343 20 30 CGEDMO C#CC[N@H+](Cc1ccc(F)cn1)[C@@H]1CCc2ccccc21 ZINC000491251648 261389104 /nfs/dbraw/zinc/38/91/04/261389104.db2.gz BCAXAAOCZVJUCN-GOSISDBHSA-N 1 1 280.346 3.343 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000191497734 262192787 /nfs/dbraw/zinc/19/27/87/262192787.db2.gz KOACVKOUJUOAIV-OAHLLOKOSA-N 1 1 258.365 3.257 20 30 CGEDMO N#C[C@H]1CCC[C@@H]([NH2+]Cc2nnc(-c3ccccc3)s2)C1 ZINC000193020822 262214560 /nfs/dbraw/zinc/21/45/60/262214560.db2.gz ZJAXEGRIHSDFHK-GXTWGEPZSA-N 1 1 298.415 3.377 20 30 CGEDMO C[C@@H]([NH2+]CCC#N)c1ccc(Br)cc1 ZINC000020199512 262232577 /nfs/dbraw/zinc/23/25/77/262232577.db2.gz WVYJXFSDNOBELR-SECBINFHSA-N 1 1 253.143 3.013 20 30 CGEDMO N#CC1CC[NH+](CCSc2ccccc2F)CC1 ZINC000195314759 262249855 /nfs/dbraw/zinc/24/98/55/262249855.db2.gz IHAMAAQNSCUHSR-UHFFFAOYSA-N 1 1 264.369 3.153 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H](CC)N(C(C)=O)C[C@H]1CC ZINC000488454062 262325715 /nfs/dbraw/zinc/32/57/15/262325715.db2.gz YAACUGDYBVLVIB-SJORKVTESA-N 1 1 280.456 3.454 20 30 CGEDMO C=CCOc1ccccc1C[N@H+](C)Cc1ccc[nH]1 ZINC000354045442 262357467 /nfs/dbraw/zinc/35/74/67/262357467.db2.gz UFOQCUIWURMLHR-UHFFFAOYSA-N 1 1 256.349 3.212 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+](C)Cc1ccc[nH]1 ZINC000354045442 262357468 /nfs/dbraw/zinc/35/74/68/262357468.db2.gz UFOQCUIWURMLHR-UHFFFAOYSA-N 1 1 256.349 3.212 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)[C@@H](C)c1cnc(C)cn1 ZINC000411496905 262696571 /nfs/dbraw/zinc/69/65/71/262696571.db2.gz YWTABGSGDRRNEX-AWEZNQCLSA-N 1 1 271.364 3.170 20 30 CGEDMO COCC[N@@H+](CCc1ccccc1)CCC(C)(C)C#N ZINC000272071105 263002046 /nfs/dbraw/zinc/00/20/46/263002046.db2.gz ZCIWFZACQAZOBS-UHFFFAOYSA-N 1 1 274.408 3.117 20 30 CGEDMO C[C@@H](C[N@@H+](C)CCC(C)(C)C#N)c1nccs1 ZINC000273058010 263011875 /nfs/dbraw/zinc/01/18/75/263011875.db2.gz LRFSIFMJGYCQSO-NSHDSACASA-N 1 1 251.399 3.118 20 30 CGEDMO Cc1cccc([C@H]2CC[N@@H+](CCCSCC#N)C2)c1 ZINC000273100837 263012601 /nfs/dbraw/zinc/01/26/01/263012601.db2.gz OOGCYOIDBKXROY-INIZCTEOSA-N 1 1 274.433 3.431 20 30 CGEDMO CC(C)(C#N)CC[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000273391938 263016571 /nfs/dbraw/zinc/01/65/71/263016571.db2.gz FFHHAPHWBPEESI-QGZVFWFLSA-N 1 1 286.419 3.260 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000273391938 263016572 /nfs/dbraw/zinc/01/65/72/263016572.db2.gz FFHHAPHWBPEESI-QGZVFWFLSA-N 1 1 286.419 3.260 20 30 CGEDMO CCN(CC)c1ccc(C[N@H+](C)C[C@@H](C)C#N)cc1 ZINC000274051472 263021100 /nfs/dbraw/zinc/02/11/00/263021100.db2.gz GKMYVDPJGNKIBT-AWEZNQCLSA-N 1 1 259.397 3.124 20 30 CGEDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@@H](C)C#N)cc1 ZINC000274051472 263021101 /nfs/dbraw/zinc/02/11/01/263021101.db2.gz GKMYVDPJGNKIBT-AWEZNQCLSA-N 1 1 259.397 3.124 20 30 CGEDMO NC(CCCc1ccccc1)=[NH+]OCc1ccc(F)cn1 ZINC000276116903 263035073 /nfs/dbraw/zinc/03/50/73/263035073.db2.gz XGXFQVJJEQLWOE-UHFFFAOYSA-N 1 1 287.338 3.032 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000277670382 263042944 /nfs/dbraw/zinc/04/29/44/263042944.db2.gz JSSLABNIYLKMPD-CQSZACIVSA-N 1 1 274.412 3.309 20 30 CGEDMO C=CCC[C@@H]([NH2+]C[C@H](C1CC1)N(C)C)c1ccco1 ZINC000353454187 263070508 /nfs/dbraw/zinc/07/05/08/263070508.db2.gz IGAQNVYOBROIIL-HUUCEWRRSA-N 1 1 262.397 3.217 20 30 CGEDMO C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1c(F)cncc1F ZINC000285662422 263094977 /nfs/dbraw/zinc/09/49/77/263094977.db2.gz MKCQVGYZCRTNIJ-DCAQKATOSA-N 1 1 265.307 3.093 20 30 CGEDMO C=CCC[C@H]([NH2+]CCN(C)C(C)C)c1ccco1 ZINC000353501578 263102023 /nfs/dbraw/zinc/10/20/23/263102023.db2.gz ZQZXWXXXUMNODC-AWEZNQCLSA-N 1 1 250.386 3.217 20 30 CGEDMO C=CCC[C@@H]([NH2+]CCN(C)C(C)C)c1ccco1 ZINC000353501579 263102030 /nfs/dbraw/zinc/10/20/30/263102030.db2.gz ZQZXWXXXUMNODC-CQSZACIVSA-N 1 1 250.386 3.217 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CCC[C@@H](C3CC3)C2)cc1 ZINC000288791568 263106044 /nfs/dbraw/zinc/10/60/44/263106044.db2.gz CJFYMAJGLXWUTR-MRXNPFEDSA-N 1 1 270.376 3.211 20 30 CGEDMO C[N@@H+]1CC[C@@H](NCC2(CC#N)CC2)C[C@@H]1c1ccccc1 ZINC000340375515 263121113 /nfs/dbraw/zinc/12/11/13/263121113.db2.gz JNCSEUKNNPCGRZ-IAGOWNOFSA-N 1 1 283.419 3.105 20 30 CGEDMO C[N@H+]1CC[C@@H](NCC2(CC#N)CC2)C[C@@H]1c1ccccc1 ZINC000340375515 263121114 /nfs/dbraw/zinc/12/11/14/263121114.db2.gz JNCSEUKNNPCGRZ-IAGOWNOFSA-N 1 1 283.419 3.105 20 30 CGEDMO CC[C@H]1C[N@@H+](CCOCCC#N)CC[C@@H]1c1ccccc1 ZINC000292892194 263136038 /nfs/dbraw/zinc/13/60/38/263136038.db2.gz VFGIZPJXWLPLQS-WMZOPIPTSA-N 1 1 286.419 3.432 20 30 CGEDMO COc1ccc([C@@H]2CC[N@H+]([C@H]3CC[C@@H](C#N)C3)C2)cc1 ZINC000292983393 263136849 /nfs/dbraw/zinc/13/68/49/263136849.db2.gz FMEAIIFOPIGTOS-BMFZPTHFSA-N 1 1 270.376 3.177 20 30 CGEDMO CCC[N@@H+](CCOCCC#N)CCc1cccc(F)c1 ZINC000293087078 263137972 /nfs/dbraw/zinc/13/79/72/263137972.db2.gz MVEYXCFEQVVZNQ-UHFFFAOYSA-N 1 1 278.371 3.010 20 30 CGEDMO COc1cc2c(cc1Cl)C[N@@H+]([C@H]1CC[C@@H](C#N)C1)CC2 ZINC000293260910 263139080 /nfs/dbraw/zinc/13/90/80/263139080.db2.gz UKACUEZDQDUQOG-RISCZKNCSA-N 1 1 290.794 3.399 20 30 CGEDMO COc1cc2c(cc1Cl)C[N@H+]([C@H]1CC[C@@H](C#N)C1)CC2 ZINC000293260910 263139081 /nfs/dbraw/zinc/13/90/81/263139081.db2.gz UKACUEZDQDUQOG-RISCZKNCSA-N 1 1 290.794 3.399 20 30 CGEDMO N#CCCOCC[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000293293269 263139202 /nfs/dbraw/zinc/13/92/02/263139202.db2.gz YZVIJTMQRCQRMQ-AWEZNQCLSA-N 1 1 278.783 3.060 20 30 CGEDMO CC1=C(Br)C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000293974667 263153615 /nfs/dbraw/zinc/15/36/15/263153615.db2.gz DGUGGDUPGLHCQG-GHMZBOCLSA-N 1 1 269.186 3.053 20 30 CGEDMO CC1=C(Br)C[N@H+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000293974667 263153617 /nfs/dbraw/zinc/15/36/17/263153617.db2.gz DGUGGDUPGLHCQG-GHMZBOCLSA-N 1 1 269.186 3.053 20 30 CGEDMO CCn1ccnc1[C@H]1CCCC[N@H+]1CCCSCC#N ZINC000294095433 263155998 /nfs/dbraw/zinc/15/59/98/263155998.db2.gz MBIWKBYKZLBSDX-CQSZACIVSA-N 1 1 292.452 3.077 20 30 CGEDMO C[N@@H+](Cc1cc(F)c(F)c(F)c1)[C@@H]1CC[C@@H](C#N)C1 ZINC000294370010 263160463 /nfs/dbraw/zinc/16/04/63/263160463.db2.gz BACOZFWZWXJCPM-MWLCHTKSSA-N 1 1 268.282 3.228 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)CCC#N ZINC000298048877 263214617 /nfs/dbraw/zinc/21/46/17/263214617.db2.gz HPFWTHZKVQLVMN-AWEZNQCLSA-N 1 1 258.365 3.375 20 30 CGEDMO CCc1ccc([C@H]2C[N@@H+]([C@@H](C)CCC#N)CCO2)cc1 ZINC000298656816 263223613 /nfs/dbraw/zinc/22/36/13/263223613.db2.gz XTSYGLMMDLNNLX-WMLDXEAASA-N 1 1 272.392 3.315 20 30 CGEDMO CCc1ccc([C@H]2C[N@H+]([C@@H](C)CCC#N)CCO2)cc1 ZINC000298656816 263223615 /nfs/dbraw/zinc/22/36/15/263223615.db2.gz XTSYGLMMDLNNLX-WMLDXEAASA-N 1 1 272.392 3.315 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000340893495 263312904 /nfs/dbraw/zinc/31/29/04/263312904.db2.gz KXVQCDSHWSKCQS-NEPJUHHUSA-N 1 1 265.319 3.120 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000340921846 263315188 /nfs/dbraw/zinc/31/51/88/263315188.db2.gz TUUQQGMICSOKFU-YQQAZPJKSA-N 1 1 290.451 3.207 20 30 CGEDMO C=CC[C@H](C)[C@H](C)[NH2+]C1CCN(C2CCC2)CC1 ZINC000341472122 263340950 /nfs/dbraw/zinc/34/09/50/263340950.db2.gz ACGHCJPVYNKAAZ-KBPBESRZSA-N 1 1 250.430 3.194 20 30 CGEDMO C=CC[N@@H+](CCn1cc(C)cn1)Cc1ccccc1F ZINC000341831910 263353581 /nfs/dbraw/zinc/35/35/81/263353581.db2.gz KUDIGZDHJADHSQ-UHFFFAOYSA-N 1 1 273.355 3.019 20 30 CGEDMO C=CC[N@H+](CCn1cc(C)cn1)Cc1ccccc1F ZINC000341831910 263353584 /nfs/dbraw/zinc/35/35/84/263353584.db2.gz KUDIGZDHJADHSQ-UHFFFAOYSA-N 1 1 273.355 3.019 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425451363 264331188 /nfs/dbraw/zinc/33/11/88/264331188.db2.gz BJELAJXPBJOSCR-UHFFFAOYSA-N 1 1 299.168 3.365 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425451363 264331190 /nfs/dbraw/zinc/33/11/90/264331190.db2.gz BJELAJXPBJOSCR-UHFFFAOYSA-N 1 1 299.168 3.365 20 30 CGEDMO C=CCOCCC[N@H+](CC)Cc1ccc(OC)cc1 ZINC000347966553 265138934 /nfs/dbraw/zinc/13/89/34/265138934.db2.gz GYUUVEPWLCAVIF-UHFFFAOYSA-N 1 1 263.381 3.110 20 30 CGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)[C@@H](C)CCC ZINC000514541506 265178336 /nfs/dbraw/zinc/17/83/36/265178336.db2.gz CWFRRUORLBVEMA-RDJZCZTQSA-N 1 1 291.435 3.275 20 30 CGEDMO C=CC1CC[NH+](Cc2cncc(Br)c2)CC1 ZINC000171953989 335086633 /nfs/dbraw/zinc/08/66/33/335086633.db2.gz QAOPAMZKUJZZAB-UHFFFAOYSA-N 1 1 281.197 3.242 20 30 CGEDMO C=CCOc1cccc(C[N@H+](CCO)[C@H]2CC[C@H](C)C2)c1 ZINC000356363312 266101415 /nfs/dbraw/zinc/10/14/15/266101415.db2.gz LLAPELJJTAAJIV-RDJZCZTQSA-N 1 1 289.419 3.234 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000356381612 266105586 /nfs/dbraw/zinc/10/55/86/266105586.db2.gz ACABWXKAMDKNGH-UHFFFAOYSA-N 1 1 259.271 3.419 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000356426534 266111954 /nfs/dbraw/zinc/11/19/54/266111954.db2.gz YJNVGXOFZKJISF-LBPRGKRZSA-N 1 1 281.281 3.359 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)o1)Cc1ccc(OC)cc1 ZINC000179327681 266135922 /nfs/dbraw/zinc/13/59/22/266135922.db2.gz CUQRAZHKYREDLR-UHFFFAOYSA-N 1 1 270.332 3.182 20 30 CGEDMO C[C@@H]1CCC[C@H](C)[N@@H+](CCOc2ccccc2C#N)C1 ZINC000525127852 270117241 /nfs/dbraw/zinc/11/72/41/270117241.db2.gz QEQJHUGADFJCCF-CABCVRRESA-N 1 1 272.392 3.448 20 30 CGEDMO C=CC[N@@H+](CC(=O)N(C)[C@@H]1CCCc2ccccc21)C1CC1 ZINC000357556279 266323267 /nfs/dbraw/zinc/32/32/67/266323267.db2.gz VNBJDHUJNITSMP-GOSISDBHSA-N 1 1 298.430 3.173 20 30 CGEDMO C=CC[N@H+](CC(=O)N(C)[C@@H]1CCCc2ccccc21)C1CC1 ZINC000357556279 266323270 /nfs/dbraw/zinc/32/32/70/266323270.db2.gz VNBJDHUJNITSMP-GOSISDBHSA-N 1 1 298.430 3.173 20 30 CGEDMO CCCCC[C@@H]1CCC[N@H+]1CC(=O)N(CC)C[C@H](C)C#N ZINC000362943354 267064792 /nfs/dbraw/zinc/06/47/92/267064792.db2.gz XYVMDZKLOIVHDU-HZPDHXFCSA-N 1 1 293.455 3.039 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000363170637 267078757 /nfs/dbraw/zinc/07/87/57/267078757.db2.gz LIYNFJFKMCYRKM-INIZCTEOSA-N 1 1 272.392 3.470 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](N2CCCC2)[C@@H]1C ZINC000367892588 267124547 /nfs/dbraw/zinc/12/45/47/267124547.db2.gz QUPYENGLCRXVHZ-JKSUJKDBSA-N 1 1 250.430 3.291 20 30 CGEDMO C=CCCCCCN1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000367892588 267124548 /nfs/dbraw/zinc/12/45/48/267124548.db2.gz QUPYENGLCRXVHZ-JKSUJKDBSA-N 1 1 250.430 3.291 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](N2CCCC2)[C@H]1C ZINC000367892587 267124563 /nfs/dbraw/zinc/12/45/63/267124563.db2.gz QUPYENGLCRXVHZ-HZPDHXFCSA-N 1 1 250.430 3.291 20 30 CGEDMO C=CCCCCCN1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000367892587 267124564 /nfs/dbraw/zinc/12/45/64/267124564.db2.gz QUPYENGLCRXVHZ-HZPDHXFCSA-N 1 1 250.430 3.291 20 30 CGEDMO CC[C@H](CC#N)N[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000368625704 267192100 /nfs/dbraw/zinc/19/21/00/267192100.db2.gz QRXCOJBVIBTWFQ-SJORKVTESA-N 1 1 285.435 3.321 20 30 CGEDMO CC[C@H](CC#N)[NH2+][C@@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000368625704 267192103 /nfs/dbraw/zinc/19/21/03/267192103.db2.gz QRXCOJBVIBTWFQ-SJORKVTESA-N 1 1 285.435 3.321 20 30 CGEDMO N#CCCCC[N@@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000368903581 267211884 /nfs/dbraw/zinc/21/18/84/267211884.db2.gz YDGSTKXKXCFQCX-IRXDYDNUSA-N 1 1 272.392 3.268 20 30 CGEDMO N#CCC[C@H](C#N)C[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000369242383 267228783 /nfs/dbraw/zinc/22/87/83/267228783.db2.gz JDSIQZVNKBRRIW-ZWKOTPCHSA-N 1 1 281.403 3.385 20 30 CGEDMO COc1ccccc1[C@H]1CC[C@@H](C)C[N@@H+]1CCC#N ZINC000370541840 267328282 /nfs/dbraw/zinc/32/82/82/267328282.db2.gz KSIAYVQZTDWWRE-UKRRQHHQSA-N 1 1 258.365 3.382 20 30 CGEDMO COc1ccccc1[C@H]1CC[C@@H](C)C[N@H+]1CCC#N ZINC000370541840 267328284 /nfs/dbraw/zinc/32/82/84/267328284.db2.gz KSIAYVQZTDWWRE-UKRRQHHQSA-N 1 1 258.365 3.382 20 30 CGEDMO C=CCOc1ccccc1C[N@H+](C)CCCCOC ZINC000418138918 267361200 /nfs/dbraw/zinc/36/12/00/267361200.db2.gz UFLKBFSBXYCDCI-UHFFFAOYSA-N 1 1 263.381 3.110 20 30 CGEDMO C=CCOc1cccc(C[NH2+]CC2(C#N)CCC2)c1 ZINC000418136043 267367923 /nfs/dbraw/zinc/36/79/23/267367923.db2.gz BWLSXEICNDCPIO-UHFFFAOYSA-N 1 1 256.349 3.035 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000120114691 267381552 /nfs/dbraw/zinc/38/15/52/267381552.db2.gz WIPPPJOBFZYSGP-KBPBESRZSA-N 1 1 292.398 3.289 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000530963452 268218594 /nfs/dbraw/zinc/21/85/94/268218594.db2.gz RSXYKDQIWRWTAS-KRWDZBQOSA-N 1 1 263.344 3.290 20 30 CGEDMO C[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H](C)[N@@H+]1C ZINC000135265609 274362527 /nfs/dbraw/zinc/36/25/27/274362527.db2.gz ZGPSKFNETSVPEZ-PHIMTYICSA-N 1 1 297.324 3.106 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C)nn1 ZINC000414375228 276001745 /nfs/dbraw/zinc/00/17/45/276001745.db2.gz YFJCWBFJWDWPPA-UHFFFAOYSA-N 1 1 280.375 3.069 20 30 CGEDMO CCn1nnc(C)c1C[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000449015526 276353469 /nfs/dbraw/zinc/35/34/69/276353469.db2.gz UDCDMVJHYNETPW-CQSZACIVSA-N 1 1 297.406 3.061 20 30 CGEDMO CCn1nnc(C)c1C[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000449015526 276353470 /nfs/dbraw/zinc/35/34/70/276353470.db2.gz UDCDMVJHYNETPW-CQSZACIVSA-N 1 1 297.406 3.061 20 30 CGEDMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2cccc(F)c2C#N)C1 ZINC000378271247 277210884 /nfs/dbraw/zinc/21/08/84/277210884.db2.gz MCVFJHXVHWBFNM-KRWDZBQOSA-N 1 1 281.334 3.296 20 30 CGEDMO C[C@@H](CCNc1ccc(C#N)nc1)[N@@H+](C)Cc1ccccc1 ZINC000301530593 278233906 /nfs/dbraw/zinc/23/39/06/278233906.db2.gz HNTTZZWYUOWFQC-HNNXBMFYSA-N 1 1 294.402 3.276 20 30 CGEDMO C[C@@H](CN[C@@H]1CCc2ccc(C#N)cc21)C[NH+]1CCCCC1 ZINC000353383239 278285573 /nfs/dbraw/zinc/28/55/73/278285573.db2.gz IREXUOUCHMDGAR-HNAYVOBHSA-N 1 1 297.446 3.257 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000279274126 278309885 /nfs/dbraw/zinc/30/98/85/278309885.db2.gz JLRPNSRPHBQYIF-XNJGSVPQSA-N 1 1 270.376 3.119 20 30 CGEDMO C[C@@H](NCCC[N@@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000216004400 278344666 /nfs/dbraw/zinc/34/46/66/278344666.db2.gz NPVYJKMFOOYPEE-JKSUJKDBSA-N 1 1 285.435 3.473 20 30 CGEDMO C[C@@H](NCCC[N@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000216004400 278344667 /nfs/dbraw/zinc/34/46/67/278344667.db2.gz NPVYJKMFOOYPEE-JKSUJKDBSA-N 1 1 285.435 3.473 20 30 CGEDMO CCC1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000330797000 278653202 /nfs/dbraw/zinc/65/32/02/278653202.db2.gz GCFGWJVAVXJQGO-HNNXBMFYSA-N 1 1 271.364 3.257 20 30 CGEDMO CC[C@@H]1CCCC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459305039 280255234 /nfs/dbraw/zinc/25/52/34/280255234.db2.gz MPMSTJZGHVHQEK-CYBMUJFWSA-N 1 1 273.336 3.231 20 30 CGEDMO CC[C@@H]1CCCC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459305039 280255236 /nfs/dbraw/zinc/25/52/36/280255236.db2.gz MPMSTJZGHVHQEK-CYBMUJFWSA-N 1 1 273.336 3.231 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)C[C@H]1CCCOC1 ZINC000531760334 328030977 /nfs/dbraw/zinc/03/09/77/328030977.db2.gz HSEDTCVIAKPOSH-QGZVFWFLSA-N 1 1 259.393 3.144 20 30 CGEDMO CC[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)C[C@H](C)O1 ZINC000411267268 328081453 /nfs/dbraw/zinc/08/14/53/328081453.db2.gz YYVSHXDOYRTWCF-LSDHHAIUSA-N 1 1 264.413 3.350 20 30 CGEDMO C=CC[N@H+](Cc1ccc(C)nn1)CC1CCCCC1 ZINC000414385707 328159628 /nfs/dbraw/zinc/15/96/28/328159628.db2.gz FXEVPXCDRGGCBT-UHFFFAOYSA-N 1 1 259.397 3.353 20 30 CGEDMO C[N@@H+](CCCCC(C)(C)C#N)CCc1nccs1 ZINC000277739894 328222229 /nfs/dbraw/zinc/22/22/29/328222229.db2.gz OWABLRHJECDAQW-UHFFFAOYSA-N 1 1 265.426 3.337 20 30 CGEDMO C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)C[C@@H](c2ccccc2)O1 ZINC000278552225 328227259 /nfs/dbraw/zinc/22/72/59/328227259.db2.gz HLSNDIPSUPUGEA-WTTBNOFXSA-N 1 1 270.376 3.141 20 30 CGEDMO C[C@@H]1C[N@H+]([C@@H]2CC[C@H](C#N)C2)C[C@@H](c2ccccc2)O1 ZINC000278552225 328227260 /nfs/dbraw/zinc/22/72/60/328227260.db2.gz HLSNDIPSUPUGEA-WTTBNOFXSA-N 1 1 270.376 3.141 20 30 CGEDMO Cc1ccccc1OCCC[N@H+](C)[C@H]1CC[C@@H](C#N)C1 ZINC000278700221 328229947 /nfs/dbraw/zinc/22/99/47/328229947.db2.gz SYVWDLFZJPTMKX-CVEARBPZSA-N 1 1 272.392 3.388 20 30 CGEDMO C[C@@H]1Cc2[nH+]cn(CCOc3cccc(C#N)c3)c2C[C@@H]1C ZINC000319764322 321961561 /nfs/dbraw/zinc/96/15/61/321961561.db2.gz NXHAGJVPWRFGHD-KGLIPLIRSA-N 1 1 295.386 3.205 20 30 CGEDMO CC(C)[N@@H+](C)C[C@H](C)Nc1c(Cl)cccc1C#N ZINC000566711427 322135342 /nfs/dbraw/zinc/13/53/42/322135342.db2.gz LXUVVUFPTITZJM-NSHDSACASA-N 1 1 265.788 3.352 20 30 CGEDMO CCC[N@@H+](C(C)C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000567246706 322156030 /nfs/dbraw/zinc/15/60/30/322156030.db2.gz SGAPDHWKKUAUKF-KRWDZBQOSA-N 1 1 299.418 3.174 20 30 CGEDMO N#Cc1ncccc1NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000570016089 322262971 /nfs/dbraw/zinc/26/29/71/322262971.db2.gz JJJWMUOBHSMNEN-HNNXBMFYSA-N 1 1 284.407 3.162 20 30 CGEDMO C[C@@H](C#N)C[N@H+](CCN1CCCc2ccccc21)C1CC1 ZINC000534913595 328368211 /nfs/dbraw/zinc/36/82/11/328368211.db2.gz CEGTVRFHPFYLPY-HNNXBMFYSA-N 1 1 283.419 3.063 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](CCN1CCCc2ccccc21)C1CC1 ZINC000534913595 328368212 /nfs/dbraw/zinc/36/82/12/328368212.db2.gz CEGTVRFHPFYLPY-HNNXBMFYSA-N 1 1 283.419 3.063 20 30 CGEDMO C=CC[N@@H+](C)CC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000121363198 328375661 /nfs/dbraw/zinc/37/56/61/328375661.db2.gz JYJTVVZITAHIGQ-AWEZNQCLSA-N 1 1 280.437 3.069 20 30 CGEDMO C=CC[N@H+](C)CC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000121363198 328375663 /nfs/dbraw/zinc/37/56/63/328375663.db2.gz JYJTVVZITAHIGQ-AWEZNQCLSA-N 1 1 280.437 3.069 20 30 CGEDMO CC[N@@H+](CCCSCC#N)Cc1ccccc1C ZINC000074981151 327122635 /nfs/dbraw/zinc/12/26/35/327122635.db2.gz DPEUAYQISNIUGU-UHFFFAOYSA-N 1 1 262.422 3.464 20 30 CGEDMO COc1ccc2c(c1)CCC[N@@H+]([C@H]1CC[C@H](C#N)C1)C2 ZINC000559070805 327140072 /nfs/dbraw/zinc/14/00/72/327140072.db2.gz GCQFWECGYUOFPJ-BBRMVZONSA-N 1 1 270.376 3.136 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000584268559 327205063 /nfs/dbraw/zinc/20/50/63/327205063.db2.gz QMZZUWTVVFCYNW-UHFFFAOYSA-N 1 1 280.456 3.168 20 30 CGEDMO CSc1ccccc1C[N@H+](C)Cc1ccc(C#N)cn1 ZINC000584299530 327229583 /nfs/dbraw/zinc/22/95/83/327229583.db2.gz MZESMFGREPDULK-UHFFFAOYSA-N 1 1 283.400 3.307 20 30 CGEDMO CSc1ccccc1C[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000584299530 327229584 /nfs/dbraw/zinc/22/95/84/327229584.db2.gz MZESMFGREPDULK-UHFFFAOYSA-N 1 1 283.400 3.307 20 30 CGEDMO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cc2n(n1)CCC2 ZINC000583428016 327359581 /nfs/dbraw/zinc/35/95/81/327359581.db2.gz MLJHAEGVYZSFSC-ZDUSSCGKSA-N 1 1 292.386 3.041 20 30 CGEDMO CC1(C)C[N@@H+](CCOc2ccccc2C#N)[C@H]2CCC[C@H]21 ZINC000393558830 329087358 /nfs/dbraw/zinc/08/73/58/329087358.db2.gz NDXAFNPWZXSNTG-CVEARBPZSA-N 1 1 284.403 3.448 20 30 CGEDMO C=CCC[N@H+]1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000582477425 329095000 /nfs/dbraw/zinc/09/50/00/329095000.db2.gz ZWEYMRDASDISJE-CQSZACIVSA-N 1 1 255.283 3.411 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000582477425 329095001 /nfs/dbraw/zinc/09/50/01/329095001.db2.gz ZWEYMRDASDISJE-CQSZACIVSA-N 1 1 255.283 3.411 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1cccc(C)c1C ZINC000181244265 329227217 /nfs/dbraw/zinc/22/72/17/329227217.db2.gz BNODEFOHIDILGF-CQSZACIVSA-N 1 1 260.381 3.138 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)N(CC)[C@H](C)c1ccc(F)cc1 ZINC000181322358 329231454 /nfs/dbraw/zinc/23/14/54/329231454.db2.gz QZPWPZVCKUUPMN-CQSZACIVSA-N 1 1 292.398 3.243 20 30 CGEDMO N#CCSCCC[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000185326094 329273057 /nfs/dbraw/zinc/27/30/57/329273057.db2.gz RJJWETPTWUGBSK-GFCCVEGCSA-N 1 1 296.386 3.401 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186666454 329347135 /nfs/dbraw/zinc/34/71/35/329347135.db2.gz FSTKLHPQMYESRE-SFHVURJKSA-N 1 1 284.403 3.448 20 30 CGEDMO C=C(Br)C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186710133 329347918 /nfs/dbraw/zinc/34/79/18/329347918.db2.gz YHQQXAQYOHMOKR-AWEZNQCLSA-N 1 1 294.192 3.026 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCSc2ccccc21 ZINC000583216307 329372067 /nfs/dbraw/zinc/37/20/67/329372067.db2.gz WIHXHHGLRZDIHJ-GXTWGEPZSA-N 1 1 271.389 3.257 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@H](O)CC1CCCC1 ZINC000190594619 329398355 /nfs/dbraw/zinc/39/83/55/329398355.db2.gz VHHWUWSMMCIMMP-OAHLLOKOSA-N 1 1 266.429 3.189 20 30 CGEDMO CC(C)[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1nc(C2CC2)no1 ZINC000248794084 329899272 /nfs/dbraw/zinc/89/92/72/329899272.db2.gz JACZJKSKCKBFCD-BNOWGMLFSA-N 1 1 288.395 3.316 20 30 CGEDMO C=CCCC[N@@H+](C)Cc1c(Cl)n(C)nc1C(F)(F)F ZINC000272910699 330087455 /nfs/dbraw/zinc/08/74/55/330087455.db2.gz RIZPSLUWRSUCAD-UHFFFAOYSA-N 1 1 295.736 3.490 20 30 CGEDMO C=CCCC[N@H+](C)Cc1c(Cl)n(C)nc1C(F)(F)F ZINC000272910699 330087456 /nfs/dbraw/zinc/08/74/56/330087456.db2.gz RIZPSLUWRSUCAD-UHFFFAOYSA-N 1 1 295.736 3.490 20 30 CGEDMO C=CCCC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000080428570 330130923 /nfs/dbraw/zinc/13/09/23/330130923.db2.gz LJICAQGRTOBLDS-ZDUSSCGKSA-N 1 1 283.375 3.324 20 30 CGEDMO N#C[C@H]1CC[C@@H]([NH2+]Cc2c(F)ccc(F)c2Cl)C1 ZINC000527722059 330277293 /nfs/dbraw/zinc/27/72/93/330277293.db2.gz QWUCMCCZHAJXAH-DTWKUNHWSA-N 1 1 270.710 3.400 20 30 CGEDMO Fc1ccc(C#CC[N@@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000533025828 330324724 /nfs/dbraw/zinc/32/47/24/330324724.db2.gz KVVSQSVUPFXKNR-GOSISDBHSA-N 1 1 280.346 3.409 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000533025828 330324725 /nfs/dbraw/zinc/32/47/25/330324725.db2.gz KVVSQSVUPFXKNR-GOSISDBHSA-N 1 1 280.346 3.409 20 30 CGEDMO C=CCn1cc(C[NH2+][C@H](CCCC)c2ccccc2)nn1 ZINC000424290284 330334086 /nfs/dbraw/zinc/33/40/86/330334086.db2.gz BIVGRHNCOXONJL-QGZVFWFLSA-N 1 1 284.407 3.485 20 30 CGEDMO C=CCn1cc(C[NH2+][C@H](CC)c2ccc(C)cc2)nn1 ZINC000424291795 330335034 /nfs/dbraw/zinc/33/50/34/330335034.db2.gz FMSCGWHKLLMMMT-MRXNPFEDSA-N 1 1 270.380 3.013 20 30 CGEDMO C=CCn1cc(C[NH2+][C@H]2CC[C@@H](C)c3ccccc32)nn1 ZINC000424292324 330335097 /nfs/dbraw/zinc/33/50/97/330335097.db2.gz GLRCVRAOEWFUJF-DYVFJYSZSA-N 1 1 282.391 3.192 20 30 CGEDMO C=CCn1cc(C[NH2+][C@H](CCC)c2ccsc2)nn1 ZINC000424300275 330337016 /nfs/dbraw/zinc/33/70/16/330337016.db2.gz XHWIQEDGQZFAFH-CQSZACIVSA-N 1 1 276.409 3.157 20 30 CGEDMO CCc1[nH+]ccn1Cc1cc(C#N)ccc1Br ZINC000191689576 330352181 /nfs/dbraw/zinc/35/21/81/330352181.db2.gz UJFZSCFRIJYETR-UHFFFAOYSA-N 1 1 290.164 3.128 20 30 CGEDMO C=CCN(CC[C@@H]1CCC[N@H+]1C)Cc1ccc(OC)cc1 ZINC000089425769 330384885 /nfs/dbraw/zinc/38/48/85/330384885.db2.gz FTJFGCUYRFFKOB-KRWDZBQOSA-N 1 1 288.435 3.168 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000537031188 330387910 /nfs/dbraw/zinc/38/79/10/330387910.db2.gz BOFGWBXRVRSWCD-GOEBONIOSA-N 1 1 251.414 3.480 20 30 CGEDMO C=C(C)CN(CC)c1cc[nH+]cc1Br ZINC000159957512 330855056 /nfs/dbraw/zinc/85/50/56/330855056.db2.gz RTSYUYNOJAOSFE-UHFFFAOYSA-N 1 1 255.159 3.247 20 30 CGEDMO C=CCCCC[C@H](C)[NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000449189230 330905053 /nfs/dbraw/zinc/90/50/53/330905053.db2.gz MBEANLHYDNFSJK-CGTJXYLNSA-N 1 1 294.483 3.089 20 30 CGEDMO N#CC1(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)CCC1 ZINC000450849081 331002679 /nfs/dbraw/zinc/00/26/79/331002679.db2.gz VTFJIFCYAFDSTK-HUUCEWRRSA-N 1 1 290.794 3.453 20 30 CGEDMO C[C@]1(O)CCCC[C@H]1[C@@H]1CCC[N@H+]1CC1(C#N)CCC1 ZINC000450953806 331008593 /nfs/dbraw/zinc/00/85/93/331008593.db2.gz AFBUJMUBYODBJA-JYJNAYRXSA-N 1 1 276.424 3.086 20 30 CGEDMO N#CC1(C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)CCC1 ZINC000451033753 331012693 /nfs/dbraw/zinc/01/26/93/331012693.db2.gz ZAEQUDAKQUSAPU-AWEZNQCLSA-N 1 1 278.783 3.047 20 30 CGEDMO Cc1ccccc1CC[N@@H+](C)CCCSCC#N ZINC000451170588 331018708 /nfs/dbraw/zinc/01/87/08/331018708.db2.gz QAPUTIHOFOAODF-UHFFFAOYSA-N 1 1 262.422 3.116 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CCCC1 ZINC000451200024 331020185 /nfs/dbraw/zinc/02/01/85/331020185.db2.gz GASIEXRDCQJHCE-INIZCTEOSA-N 1 1 290.451 3.256 20 30 CGEDMO C=CCCN1C[C@@H](C)[N@H+](CCC=C)CC12CCCC2 ZINC000451346384 331025052 /nfs/dbraw/zinc/02/50/52/331025052.db2.gz UKDJGHRKGOKWII-MRXNPFEDSA-N 1 1 262.441 3.458 20 30 CGEDMO C=CCCN1CC2(CCCC2)[N@@H+](CCC=C)C[C@H]1C ZINC000451346384 331025053 /nfs/dbraw/zinc/02/50/53/331025053.db2.gz UKDJGHRKGOKWII-MRXNPFEDSA-N 1 1 262.441 3.458 20 30 CGEDMO C=CCCN1CC2(CCCC2)[N@H+](CCC=C)C[C@H]1C ZINC000451346384 331025054 /nfs/dbraw/zinc/02/50/54/331025054.db2.gz UKDJGHRKGOKWII-MRXNPFEDSA-N 1 1 262.441 3.458 20 30 CGEDMO CO[C@H]1CC[N@@H+](CCCC(C)(C)C#N)CC1(C)C ZINC000451549732 331033638 /nfs/dbraw/zinc/03/36/38/331033638.db2.gz HWCRDAFYSUIHTD-ZDUSSCGKSA-N 1 1 252.402 3.063 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451702072 331039483 /nfs/dbraw/zinc/03/94/83/331039483.db2.gz RVDPNRQYUKKRDD-OAGGEKHMSA-N 1 1 278.440 3.189 20 30 CGEDMO CN(C)c1[nH+]ccc2cc(NC(=O)CC(C)(C)C#N)ccc21 ZINC000452354846 331063113 /nfs/dbraw/zinc/06/31/13/331063113.db2.gz MDWHNSJGFLJEPK-UHFFFAOYSA-N 1 1 296.374 3.179 20 30 CGEDMO CC(C)[C@H]1[N@@H+](C[C@H](C#N)CCC#N)CC12CCCC2 ZINC000453034118 331084417 /nfs/dbraw/zinc/08/44/17/331084417.db2.gz JAYALGFIWLOGGE-LSDHHAIUSA-N 1 1 259.397 3.331 20 30 CGEDMO C=C(CC)CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000456830181 331206541 /nfs/dbraw/zinc/20/65/41/331206541.db2.gz QETGMSXHXJTUOP-CQSZACIVSA-N 1 1 280.799 3.025 20 30 CGEDMO CC(C)(CC#N)C[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000459738832 331297233 /nfs/dbraw/zinc/29/72/33/331297233.db2.gz YBPMYEQXMGWCCA-UHFFFAOYSA-N 1 1 269.348 3.371 20 30 CGEDMO C=CCOCCC[N@H+]1Cc2ccc(Cl)cc2C1 ZINC000459774052 331300103 /nfs/dbraw/zinc/30/01/03/331300103.db2.gz VUKMDIUOZOADJE-UHFFFAOYSA-N 1 1 251.757 3.248 20 30 CGEDMO C=CCOCCC[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC000459774052 331300104 /nfs/dbraw/zinc/30/01/04/331300104.db2.gz VUKMDIUOZOADJE-UHFFFAOYSA-N 1 1 251.757 3.248 20 30 CGEDMO CC#CCC[N@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000462357271 331320313 /nfs/dbraw/zinc/32/03/13/331320313.db2.gz SNNHNAHQDXREKT-OAHLLOKOSA-N 1 1 263.768 3.207 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)N(C)CC1CCCCC1 ZINC000489421247 332051068 /nfs/dbraw/zinc/05/10/68/332051068.db2.gz CQIQBJLWMNXOBQ-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CCc1ccccc1C(=O)OC ZINC000489464939 332054301 /nfs/dbraw/zinc/05/43/01/332054301.db2.gz QWIGUIYUZFHIAN-OAHLLOKOSA-N 1 1 273.376 3.056 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CCc1ccc2c(c1)CCO2 ZINC000489474970 332054793 /nfs/dbraw/zinc/05/47/93/332054793.db2.gz LKUROSNCZITAMC-MRXNPFEDSA-N 1 1 257.377 3.205 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1C[C@H](c2ccc(C)cc2)C[C@H]1C ZINC000490077153 332080387 /nfs/dbraw/zinc/08/03/87/332080387.db2.gz QCOKOGOKEWPNON-NXHRZFHOSA-N 1 1 273.420 3.500 20 30 CGEDMO C#CC[N@@H+](C[C@H]1CCCOC1)[C@H]1CCc2ccccc21 ZINC000490830426 332118575 /nfs/dbraw/zinc/11/85/75/332118575.db2.gz KJZRTYICBZFPOC-QAPCUYQASA-N 1 1 269.388 3.036 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccc(OCc2ccncc2)cc1 ZINC000490865868 332121875 /nfs/dbraw/zinc/12/18/75/332121875.db2.gz JLSTZRLWMSEQEQ-UHFFFAOYSA-N 1 1 280.371 3.116 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccccc1OCc1ccncc1 ZINC000490893000 332125818 /nfs/dbraw/zinc/12/58/18/332125818.db2.gz QEEQCPIZWQKPGE-UHFFFAOYSA-N 1 1 280.371 3.116 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H]1CCO[C@H](C)C1 ZINC000491115329 332151238 /nfs/dbraw/zinc/15/12/38/332151238.db2.gz RLEWIYWWDMLLEK-NVXWUHKLSA-N 1 1 289.419 3.498 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(OCc2cccnc2)cc1)C1CC1 ZINC000491313931 332187954 /nfs/dbraw/zinc/18/79/54/332187954.db2.gz BWIPWXGBNKCLFT-UHFFFAOYSA-N 1 1 292.382 3.258 20 30 CGEDMO C=CC[N@@H+](CCOc1ccccc1)CCc1ccco1 ZINC000491393381 332203160 /nfs/dbraw/zinc/20/31/60/332203160.db2.gz CZRMBHAUKQFLFT-UHFFFAOYSA-N 1 1 271.360 3.389 20 30 CGEDMO C#CC[NH+]1CCC(c2nc([C@@H]3CCC[C@H](C)C3)no2)CC1 ZINC000491451022 332213264 /nfs/dbraw/zinc/21/32/64/332213264.db2.gz DCCFFEWIAQZTEP-DZGCQCFKSA-N 1 1 287.407 3.176 20 30 CGEDMO C#C[C@H]([NH2+]Cc1nc(C)ccc1O)c1ccc(Cl)cc1 ZINC000491772262 332338691 /nfs/dbraw/zinc/33/86/91/332338691.db2.gz QGLWUADAVIJELB-AWEZNQCLSA-N 1 1 286.762 3.213 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cnc(-c2ccncc2)s1 ZINC000505853978 332755150 /nfs/dbraw/zinc/75/51/50/332755150.db2.gz YBQVWNHZLFEUTG-UHFFFAOYSA-N 1 1 271.389 3.379 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000309980510 333052363 /nfs/dbraw/zinc/05/23/63/333052363.db2.gz URLYCHYBZKQBOC-ZWKOTPCHSA-N 1 1 270.420 3.016 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000309980510 333052364 /nfs/dbraw/zinc/05/23/64/333052364.db2.gz URLYCHYBZKQBOC-ZWKOTPCHSA-N 1 1 270.420 3.016 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCC=C(c3ccccn3)C2)cc1 ZINC000516875851 333085198 /nfs/dbraw/zinc/08/51/98/333085198.db2.gz YDXBRAUGMFGVIZ-UHFFFAOYSA-N 1 1 289.382 3.437 20 30 CGEDMO CC[N@H+](C[C@@H](C)C#N)C[C@H](C)Cc1ccc(OC)c(F)c1 ZINC000186640237 333163972 /nfs/dbraw/zinc/16/39/72/333163972.db2.gz RGDOQFVUZFBWCJ-KGLIPLIRSA-N 1 1 292.398 3.494 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(Br)c2cccnc12 ZINC000192239634 333233687 /nfs/dbraw/zinc/23/36/87/333233687.db2.gz ZIKYEBDXGHWENJ-UHFFFAOYSA-N 1 1 289.176 3.062 20 30 CGEDMO C=CCCCCC[NH+]1CC[C@H](C[N@H+](C)CCC)C1 ZINC000193368991 333248886 /nfs/dbraw/zinc/24/88/86/333248886.db2.gz PXWWHNHRIDYZHH-MRXNPFEDSA-N 1 1 252.446 3.397 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000193368991 333248887 /nfs/dbraw/zinc/24/88/87/333248887.db2.gz PXWWHNHRIDYZHH-MRXNPFEDSA-N 1 1 252.446 3.397 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000193368991 333248888 /nfs/dbraw/zinc/24/88/88/333248888.db2.gz PXWWHNHRIDYZHH-MRXNPFEDSA-N 1 1 252.446 3.397 20 30 CGEDMO C=CCCCCC[N@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000193458090 333250372 /nfs/dbraw/zinc/25/03/72/333250372.db2.gz HFLGAOUTSVOOHF-ZDUSSCGKSA-N 1 1 278.362 3.301 20 30 CGEDMO C[N@@H+](CC#Cc1ccccc1Cl)CCOCC1CC1 ZINC000135142598 334117561 /nfs/dbraw/zinc/11/75/61/334117561.db2.gz IFLMYAPFWHULJO-UHFFFAOYSA-N 1 1 277.795 3.050 20 30 CGEDMO C[N@H+](CC#Cc1ccccc1Cl)CCOCC1CC1 ZINC000135142598 334117562 /nfs/dbraw/zinc/11/75/62/334117562.db2.gz IFLMYAPFWHULJO-UHFFFAOYSA-N 1 1 277.795 3.050 20 30 CGEDMO CC(C)(C#N)CC[N@@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000549842736 334206535 /nfs/dbraw/zinc/20/65/35/334206535.db2.gz VXBOOUCVZXPPBH-ZDUSSCGKSA-N 1 1 292.345 3.358 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000549842736 334206537 /nfs/dbraw/zinc/20/65/37/334206537.db2.gz VXBOOUCVZXPPBH-ZDUSSCGKSA-N 1 1 292.345 3.358 20 30 CGEDMO C=CCOCC[N@H+]1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000549860975 334207136 /nfs/dbraw/zinc/20/71/36/334207136.db2.gz UTQSXEPKUOALKK-CJNGLKHVSA-N 1 1 263.356 3.411 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1CCCC[N@@H+]1CCCC ZINC000549957741 334210303 /nfs/dbraw/zinc/21/03/03/334210303.db2.gz HGGAJVNNISNZQB-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC(C)(C)c1noc(Cn2c[nH+]c3c2CCCC3)n1 ZINC000551136455 334239325 /nfs/dbraw/zinc/23/93/25/334239325.db2.gz MXDQPZZUKMBKTL-UHFFFAOYSA-N 1 1 286.379 3.047 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000551441849 334250524 /nfs/dbraw/zinc/25/05/24/334250524.db2.gz JFPXONARZMUCMD-UHFFFAOYSA-N 1 1 266.335 3.053 20 30 CGEDMO CC[N@H+](CCOc1ccc(F)cc1Cl)C[C@@H](C)C#N ZINC000091739000 334382688 /nfs/dbraw/zinc/38/26/88/334382688.db2.gz JGRUIXPQRRZOFZ-NSHDSACASA-N 1 1 284.762 3.339 20 30 CGEDMO CC[N@@H+](CCOc1ccc(F)cc1Cl)C[C@@H](C)C#N ZINC000091739000 334382690 /nfs/dbraw/zinc/38/26/90/334382690.db2.gz JGRUIXPQRRZOFZ-NSHDSACASA-N 1 1 284.762 3.339 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)cc1 ZINC000576870060 335257952 /nfs/dbraw/zinc/25/79/52/335257952.db2.gz KMOMQQXLNBVVPL-FUHWJXTLSA-N 1 1 287.378 3.068 20 30 CGEDMO C=CCCCCNC(=O)[C@@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000580606799 335301270 /nfs/dbraw/zinc/30/12/70/335301270.db2.gz IHJYCKIPUYXDJE-QGZVFWFLSA-N 1 1 288.435 3.370 20 30 CGEDMO C=CCCCCNC(=O)[C@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000580606798 335301475 /nfs/dbraw/zinc/30/14/75/335301475.db2.gz IHJYCKIPUYXDJE-KRWDZBQOSA-N 1 1 288.435 3.370 20 30 CGEDMO CCN(CC)[C@H](C[NH2+]Cc1cc(C#N)cs1)CC(C)C ZINC000177684213 335378889 /nfs/dbraw/zinc/37/88/89/335378889.db2.gz TWFZWHHGVVMMJL-HNNXBMFYSA-N 1 1 293.480 3.466 20 30 CGEDMO C[C@@H]1Cc2[nH+]cn(CC#Cc3ccccc3)c2C[C@H]1C ZINC000380773845 336028280 /nfs/dbraw/zinc/02/82/80/336028280.db2.gz QXOCPNWFDJTHIF-HUUCEWRRSA-N 1 1 264.372 3.306 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)nc1 ZINC000581348708 336056578 /nfs/dbraw/zinc/05/65/78/336056578.db2.gz PTCKHJNHTMAQAS-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)nc1 ZINC000581348708 336056579 /nfs/dbraw/zinc/05/65/79/336056579.db2.gz PTCKHJNHTMAQAS-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO C=CC[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000361775363 500579416 /nfs/dbraw/zinc/57/94/16/500579416.db2.gz FUSAFYBNVWUNQI-ZWKOTPCHSA-N 1 1 298.430 3.041 20 30 CGEDMO C[C@H]1CC[C@@H]([N@@H+](CCO)CCCCC(C)(C)C#N)C1 ZINC000351638957 500936258 /nfs/dbraw/zinc/93/62/58/500936258.db2.gz YUFNEXRMOGZJSD-LSDHHAIUSA-N 1 1 266.429 3.189 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cncc(F)c1 ZINC000425368452 534082514 /nfs/dbraw/zinc/08/25/14/534082514.db2.gz WWBMOLYZEWBQFV-LBPRGKRZSA-N 1 1 269.323 3.285 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cncc(F)c1 ZINC000425368452 534082522 /nfs/dbraw/zinc/08/25/22/534082522.db2.gz WWBMOLYZEWBQFV-LBPRGKRZSA-N 1 1 269.323 3.285 20 30 CGEDMO C#CCOc1ccc(C[N@H+](C)[C@@H](C)c2cccnc2)cc1 ZINC000183729359 518323658 /nfs/dbraw/zinc/32/36/58/518323658.db2.gz MVPJRGHSPOVMOR-HNNXBMFYSA-N 1 1 280.371 3.287 20 30 CGEDMO Cc1noc([C@H]2CCC[N@H+]2CCCCC(C)(C)C#N)n1 ZINC000353542778 534481744 /nfs/dbraw/zinc/48/17/44/534481744.db2.gz LLZVLTPQNRIPHE-CYBMUJFWSA-N 1 1 276.384 3.235 20 30 CGEDMO CN(CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(C#N)cc1F ZINC000075860030 522929627 /nfs/dbraw/zinc/92/96/27/522929627.db2.gz UPFMPEUVSCUYSH-INIZCTEOSA-N 1 1 289.398 3.004 20 30 CGEDMO COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)cn1 ZINC000085789267 524014578 /nfs/dbraw/zinc/01/45/78/524014578.db2.gz SXVGISNWZNZJNI-UHFFFAOYSA-N 1 1 295.386 3.372 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCOCC3(CCCC3)C2)c(F)c1 ZINC000364325805 534781193 /nfs/dbraw/zinc/78/11/93/534781193.db2.gz DUSVLLCVKMWHEP-UHFFFAOYSA-N 1 1 288.366 3.090 20 30 CGEDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000163874548 525837824 /nfs/dbraw/zinc/83/78/24/525837824.db2.gz BGIPLUCDPQNFQI-IUODEOHRSA-N 1 1 292.810 3.337 20 30 CGEDMO C=CC[N@@H+](CCOc1ccccc1C#N)CCc1ccco1 ZINC000352719539 526307059 /nfs/dbraw/zinc/30/70/59/526307059.db2.gz HRQQXSDIDSEHMW-UHFFFAOYSA-N 1 1 296.370 3.261 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCC[C@@H]1c1nnc([C@@H]2CCCO2)o1 ZINC000347309796 526444179 /nfs/dbraw/zinc/44/41/79/526444179.db2.gz CQTOEKMYVQACIE-KGLIPLIRSA-N 1 1 291.395 3.414 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1c1nnc([C@@H]2CCCO2)o1 ZINC000347309796 526444187 /nfs/dbraw/zinc/44/41/87/526444187.db2.gz CQTOEKMYVQACIE-KGLIPLIRSA-N 1 1 291.395 3.414 20 30 CGEDMO C=C(C)CN1CCC([NH2+][C@H](CC)c2ccc(F)cn2)CC1 ZINC000352719426 526606068 /nfs/dbraw/zinc/60/60/68/526606068.db2.gz KAWSQKXNWOWDPX-MRXNPFEDSA-N 1 1 291.414 3.302 20 30 CGEDMO C=CCOCCC[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000347968170 526749166 /nfs/dbraw/zinc/74/91/66/526749166.db2.gz IYBBRNRPDKQUQE-UHFFFAOYSA-N 1 1 272.392 3.361 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCO[C@H](C(C)C)C2)c1 ZINC000353176259 526899585 /nfs/dbraw/zinc/89/95/85/526899585.db2.gz VPDBODVDIVRRAR-KRWDZBQOSA-N 1 1 275.392 3.108 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCO[C@H](C(C)C)C2)c1 ZINC000353176259 526899591 /nfs/dbraw/zinc/89/95/91/526899591.db2.gz VPDBODVDIVRRAR-KRWDZBQOSA-N 1 1 275.392 3.108 20 30 CGEDMO C=CCOc1ccccc1C[N@H+](C)Cc1ccncc1 ZINC000350350378 526929732 /nfs/dbraw/zinc/92/97/32/526929732.db2.gz GBUUDRGHNBVDEQ-UHFFFAOYSA-N 1 1 268.360 3.278 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+](C)Cc1ccncc1 ZINC000350350378 526929736 /nfs/dbraw/zinc/92/97/36/526929736.db2.gz GBUUDRGHNBVDEQ-UHFFFAOYSA-N 1 1 268.360 3.278 20 30 CGEDMO C=CCCC1(C(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)CC1 ZINC000344721104 527084425 /nfs/dbraw/zinc/08/44/25/527084425.db2.gz HOFIAVVGFWALMC-HNNXBMFYSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC1(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000355032552 527086060 /nfs/dbraw/zinc/08/60/60/527086060.db2.gz CSRWCBXSHAPSGG-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000355904346 527193813 /nfs/dbraw/zinc/19/38/13/527193813.db2.gz DJQVFXMCWXPEHX-KRWDZBQOSA-N 1 1 258.409 3.159 20 30 CGEDMO C=CCC[N@@H+](Cc1cccs1)[C@H]1C=C[C@@H](CO)C1 ZINC000347333611 527326583 /nfs/dbraw/zinc/32/65/83/527326583.db2.gz HXABHFSZONOIGD-KGLIPLIRSA-N 1 1 263.406 3.063 20 30 CGEDMO CCC[NH+](CCC)CCCN[C@@H]1CCC[C@H](C#N)C1 ZINC000192815109 528058924 /nfs/dbraw/zinc/05/89/24/528058924.db2.gz WLKRPLSPCUDJBP-JKSUJKDBSA-N 1 1 265.445 3.170 20 30 CGEDMO CC(C)CO[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439447148 528131208 /nfs/dbraw/zinc/13/12/08/528131208.db2.gz FRADVJSZLAQXIY-OAHLLOKOSA-N 1 1 292.810 3.459 20 30 CGEDMO CC(C)CO[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439447148 528131214 /nfs/dbraw/zinc/13/12/14/528131214.db2.gz FRADVJSZLAQXIY-OAHLLOKOSA-N 1 1 292.810 3.459 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](CC)OC ZINC000419194499 528133485 /nfs/dbraw/zinc/13/34/85/528133485.db2.gz WMOLBGOTLXNQPV-MRXNPFEDSA-N 1 1 260.381 3.195 20 30 CGEDMO CCCCC[N@@H+](Cc1nc(C#N)cs1)C(C)C ZINC000356069410 528181981 /nfs/dbraw/zinc/18/19/81/528181981.db2.gz VQSHESSFSAGRLE-UHFFFAOYSA-N 1 1 251.399 3.415 20 30 CGEDMO CC[N@@H+](CCC#N)CCc1ccc(F)cc1Cl ZINC000356082368 528375191 /nfs/dbraw/zinc/37/51/91/528375191.db2.gz HHCDYBDIFRNDLS-UHFFFAOYSA-N 1 1 254.736 3.257 20 30 CGEDMO CC[N@H+](CCC#N)CCc1ccc(F)cc1Cl ZINC000356082368 528375186 /nfs/dbraw/zinc/37/51/86/528375186.db2.gz HHCDYBDIFRNDLS-UHFFFAOYSA-N 1 1 254.736 3.257 20 30 CGEDMO CCC(C)(C)[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000358424049 528537779 /nfs/dbraw/zinc/53/77/79/528537779.db2.gz IEDZNXSDDYHZOT-UHFFFAOYSA-N 1 1 279.409 3.069 20 30 CGEDMO CC(C)[N@@H+](Cc1cc(C#N)n(C)c1)C1CCCCC1 ZINC000191168506 535086818 /nfs/dbraw/zinc/08/68/18/535086818.db2.gz ZKXOSEXFBIKGEL-UHFFFAOYSA-N 1 1 259.397 3.440 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000747790827 572949700 /nfs/dbraw/zinc/94/97/00/572949700.db2.gz QGOSMPDNOOIDEM-CABCVRRESA-N 1 1 265.784 3.327 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000747790827 572949703 /nfs/dbraw/zinc/94/97/03/572949703.db2.gz QGOSMPDNOOIDEM-CABCVRRESA-N 1 1 265.784 3.327 20 30 CGEDMO C=C(C)CNc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000729675685 571928919 /nfs/dbraw/zinc/92/89/19/571928919.db2.gz OWLDZHOXQUQCLS-CQSZACIVSA-N 1 1 260.381 3.068 20 30 CGEDMO CCCCCCCCC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000731019040 572390252 /nfs/dbraw/zinc/39/02/52/572390252.db2.gz CREAQRORPSHWSQ-MRXNPFEDSA-N 1 1 280.456 3.338 20 30 CGEDMO Cc1cnn(CCCCC[N@@H+](CCC#N)CC(C)C)c1 ZINC000739913816 572426991 /nfs/dbraw/zinc/42/69/91/572426991.db2.gz BEQICDCMHFIEGL-UHFFFAOYSA-N 1 1 276.428 3.234 20 30 CGEDMO C=CCOC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000732396194 572462212 /nfs/dbraw/zinc/46/22/12/572462212.db2.gz ABDGVPGIDOGPKE-OAHLLOKOSA-N 1 1 287.403 3.059 20 30 CGEDMO C=CCCOC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000741329043 572493613 /nfs/dbraw/zinc/49/36/13/572493613.db2.gz SULMWNHMYKGQIH-INIZCTEOSA-N 1 1 273.376 3.018 20 30 CGEDMO CC#CC[N@@H+](C)Cc1ccc(SC(F)F)cc1 ZINC000741782874 572528536 /nfs/dbraw/zinc/52/85/36/572528536.db2.gz YIUWMTZBBWUGNJ-UHFFFAOYSA-N 1 1 255.333 3.456 20 30 CGEDMO C#CC[N@@H+](Cc1ccn(C(C)C)n1)C1CCCCC1 ZINC000735078021 572698881 /nfs/dbraw/zinc/69/88/81/572698881.db2.gz CUNOGXYQDWHVEB-UHFFFAOYSA-N 1 1 259.397 3.232 20 30 CGEDMO C#CC[N@H+](Cc1ccn(C(C)C)n1)C1CCCCC1 ZINC000735078021 572698885 /nfs/dbraw/zinc/69/88/85/572698885.db2.gz CUNOGXYQDWHVEB-UHFFFAOYSA-N 1 1 259.397 3.232 20 30 CGEDMO CCCCCCCC(=O)NCCNc1cccc(C)[nH+]1 ZINC000735930512 572752198 /nfs/dbraw/zinc/75/21/98/572752198.db2.gz HDTRUEYDDNOVKV-UHFFFAOYSA-N 1 1 277.412 3.279 20 30 CGEDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000744443222 572753983 /nfs/dbraw/zinc/75/39/83/572753983.db2.gz IJQDBRFQDXDFIQ-RHSMWYFYSA-N 1 1 294.402 3.500 20 30 CGEDMO C#CC[N@H+](Cc1ccc(N(C)C)cc1)C1CCCC1 ZINC000746152916 572857052 /nfs/dbraw/zinc/85/70/52/572857052.db2.gz MZULNFGYFQXPDQ-UHFFFAOYSA-N 1 1 256.393 3.130 20 30 CGEDMO C=CCCC[N@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000747532990 572934960 /nfs/dbraw/zinc/93/49/60/572934960.db2.gz GYHJXUAUSBUVNP-UHFFFAOYSA-N 1 1 284.444 3.435 20 30 CGEDMO C#CC[N@@H+](CC)CCc1cccc(OC(F)(F)F)c1 ZINC000747619858 572936967 /nfs/dbraw/zinc/93/69/67/572936967.db2.gz NOCHLTMZYSRBAL-UHFFFAOYSA-N 1 1 271.282 3.083 20 30 CGEDMO C#CC[N@@H+](CC)[C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000749155538 572990035 /nfs/dbraw/zinc/99/00/35/572990035.db2.gz UNVVUOZYHQQKEK-JTQLQIEISA-N 1 1 299.201 3.276 20 30 CGEDMO C#CC[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000749155538 572990036 /nfs/dbraw/zinc/99/00/36/572990036.db2.gz UNVVUOZYHQQKEK-JTQLQIEISA-N 1 1 299.201 3.276 20 30 CGEDMO C#CC[N@@H+](CC)[C@H](C)C(=O)Nc1ccccc1[C@H](C)CC ZINC000749154641 572990099 /nfs/dbraw/zinc/99/00/99/572990099.db2.gz FOTJIVMCOWYYDV-HUUCEWRRSA-N 1 1 286.419 3.482 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)C(=O)Nc1ccccc1[C@H](C)CC ZINC000749154641 572990100 /nfs/dbraw/zinc/99/01/00/572990100.db2.gz FOTJIVMCOWYYDV-HUUCEWRRSA-N 1 1 286.419 3.482 20 30 CGEDMO CC(=[NH+]OCC(C)C)c1ccc(F)cc1N(C)C ZINC000749637128 573026387 /nfs/dbraw/zinc/02/63/87/573026387.db2.gz YLMBMWFWTNOJOF-UHFFFAOYSA-N 1 1 252.333 3.288 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(-n2ccnc2)nc1)C1CCCCC1 ZINC000750041382 573077014 /nfs/dbraw/zinc/07/70/14/573077014.db2.gz NCDSTYSHXPACPX-UHFFFAOYSA-N 1 1 294.402 3.035 20 30 CGEDMO C#C[C@@H](CC)[NH2+]Cc1cccc(F)c1Br ZINC000229967709 623181787 /nfs/dbraw/zinc/18/17/87/623181787.db2.gz HIBVMIQWRZJLQJ-JTQLQIEISA-N 1 1 270.145 3.090 20 30 CGEDMO C=C(C)CC[NH+]1CC(N(CC)C(=O)c2ccoc2Cl)C1 ZINC000949978830 613246811 /nfs/dbraw/zinc/24/68/11/613246811.db2.gz VZPGBUMXDSUTHL-UHFFFAOYSA-N 1 1 296.798 3.046 20 30 CGEDMO C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)C1CC=CC1 ZINC000968794186 613251306 /nfs/dbraw/zinc/25/13/06/613251306.db2.gz PBPNMAAFSBQKFN-KRWDZBQOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)CC2(C)CCCC2)CC1 ZINC000981103785 613251814 /nfs/dbraw/zinc/25/18/14/613251814.db2.gz IUNOJBVMXALPAS-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)C[C@@H]2CC=CCC2)CC1 ZINC000981760040 613252002 /nfs/dbraw/zinc/25/20/02/613252002.db2.gz FZIABNXFWVWUOY-QGZVFWFLSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H](C)C(C)(C)C)CC1 ZINC000981450931 613252654 /nfs/dbraw/zinc/25/26/54/613252654.db2.gz OHLFMCKJEZYREZ-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000963227247 613256154 /nfs/dbraw/zinc/25/61/54/613256154.db2.gz BQSBCPHNIZQUQX-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)CC2CCC2)CC1 ZINC000948257901 613256416 /nfs/dbraw/zinc/25/64/16/613256416.db2.gz SKCGOFVLQNLJIB-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC)C1 ZINC000963216026 613256593 /nfs/dbraw/zinc/25/65/93/613256593.db2.gz IPZSVDGNQQSCNV-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C(C)C)C2)C1 ZINC000961149141 613268685 /nfs/dbraw/zinc/26/86/85/613268685.db2.gz VUIPVWHBQQMCEB-DLBZAZTESA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2CC(C)C2)C(C)(C)C1 ZINC000940665794 613270447 /nfs/dbraw/zinc/27/04/47/613270447.db2.gz ZEWBVWUZOWUJJG-GPANFISMSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2CC3(CC3)C2)C[C@@H]1C ZINC000947701436 613270648 /nfs/dbraw/zinc/27/06/48/613270648.db2.gz BRPLOVMDUBQIKA-HOCLYGCPSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)C=C2CCC2)C(C)(C)C1 ZINC000940669423 613271070 /nfs/dbraw/zinc/27/10/70/613271070.db2.gz JNNIGPMOJMCPPH-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2cscc2Cl)C1 ZINC000971742648 613287448 /nfs/dbraw/zinc/28/74/48/613287448.db2.gz JPRIVPKMVNUGJY-LLVKDONJSA-N 1 1 298.839 3.124 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccoc2C)CC1 ZINC000948170141 613314096 /nfs/dbraw/zinc/31/40/96/613314096.db2.gz ZWLOPEOWLDOHEG-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2(F)CCCCC2)C1 ZINC000968507009 613325176 /nfs/dbraw/zinc/32/51/76/613325176.db2.gz YPNDVUWXMCKVIR-HUUCEWRRSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C[C@@H]2C=CCCC2)C(C)(C)C1 ZINC000974720293 613337884 /nfs/dbraw/zinc/33/78/84/613337884.db2.gz MLWRCQKSUIGJBK-HZPDHXFCSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)C(C)=C2CCCC2)C(C)(C)C1 ZINC000973021682 613341264 /nfs/dbraw/zinc/34/12/64/613341264.db2.gz DOFACFLXORZHIS-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C(C)C)CC[C@@H]2C1 ZINC000946806551 613343302 /nfs/dbraw/zinc/34/33/02/613343302.db2.gz SLPZGQHJESYVOY-ZACQAIPSSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccccc3)C[C@@H]2C1 ZINC000979485185 613343604 /nfs/dbraw/zinc/34/36/04/613343604.db2.gz QAQRSUODFZEXPM-RCCFBDPRSA-N 1 1 298.430 3.093 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC2CCCC2)C[C@@H]1C ZINC000947014500 613376494 /nfs/dbraw/zinc/37/64/94/613376494.db2.gz WKNLAELMQYJPBP-DZGCQCFKSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC2CCCC2)C[C@@H]1C ZINC000947014500 613376495 /nfs/dbraw/zinc/37/64/95/613376495.db2.gz WKNLAELMQYJPBP-DZGCQCFKSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)=C2CCC2)C[C@H]1C ZINC000947301220 613377981 /nfs/dbraw/zinc/37/79/81/613377981.db2.gz PPTHWBYCFHXOQX-DOMZBBRYSA-N 1 1 296.842 3.208 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)=C2CCC2)C[C@H]1C ZINC000947301220 613377982 /nfs/dbraw/zinc/37/79/82/613377982.db2.gz PPTHWBYCFHXOQX-DOMZBBRYSA-N 1 1 296.842 3.208 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC2(C)C)C(C)(C)C1 ZINC000940665472 613378556 /nfs/dbraw/zinc/37/85/56/613378556.db2.gz VJRFTSVEMGOZHR-OLZOCXBDSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC2(C)C)C(C)(C)C1 ZINC000940665472 613378557 /nfs/dbraw/zinc/37/85/57/613378557.db2.gz VJRFTSVEMGOZHR-OLZOCXBDSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[N@@H+](CCC(C)C)CC1 ZINC000981887383 613473049 /nfs/dbraw/zinc/47/30/49/613473049.db2.gz COFIZKHIVQEALR-KRWDZBQOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2C[C@]2(CC)C(C)C)C1 ZINC000957066988 613479021 /nfs/dbraw/zinc/47/90/21/613479021.db2.gz ITKQTZVHWGRMOZ-SJLPKXTDSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2CC)CC1 ZINC000983389982 613494135 /nfs/dbraw/zinc/49/41/35/613494135.db2.gz MRCAWMHNJSXHHO-DLBZAZTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[NH+](CC2=CCCCC2)CC1 ZINC000950038844 613502409 /nfs/dbraw/zinc/50/24/09/613502409.db2.gz GUFDJQLZSBOKSC-GOSISDBHSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C2CCC(=C)CC2)C1 ZINC000968216111 613515029 /nfs/dbraw/zinc/51/50/29/613515029.db2.gz ZSVDLNVIMYRYOR-WBVHZDCISA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C2CCC2)C[C@H]1C ZINC000947579643 613518770 /nfs/dbraw/zinc/51/87/70/613518770.db2.gz DUMWYXSLGXCLDK-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)C2(C)CCCCC2)[C@H](C)C1 ZINC000942596472 613519195 /nfs/dbraw/zinc/51/91/95/613519195.db2.gz AXRXRSZBGZGMAF-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C2C(C)(C)C2(C)C)C[C@H]1C ZINC000947173884 613519328 /nfs/dbraw/zinc/51/93/28/613519328.db2.gz AYLLRYOHEXAVAG-ZIAGYGMSSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccsc2C)C1 ZINC000966004108 613529817 /nfs/dbraw/zinc/52/98/17/613529817.db2.gz NLXDSEASOLZYPN-WFASDCNBSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)C2CCC(=C)CC2)[C@@H](C)C1 ZINC000942600933 613534773 /nfs/dbraw/zinc/53/47/73/613534773.db2.gz WXJFTINMFRYALD-RDJZCZTQSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000961271311 613542771 /nfs/dbraw/zinc/54/27/71/613542771.db2.gz KOBSCBFNKJMJBJ-CVEARBPZSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C(CC)CC)C[C@@]2(C)C1 ZINC000982207047 613550964 /nfs/dbraw/zinc/55/09/64/613550964.db2.gz GAJMPINFGJHBLA-HDICACEKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2cc(C)cs2)C(C)(C)C1 ZINC000974565613 613555490 /nfs/dbraw/zinc/55/54/90/613555490.db2.gz IYDIODCWBHPAQI-AWEZNQCLSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1C(C)C ZINC000960188529 613566751 /nfs/dbraw/zinc/56/67/51/613566751.db2.gz ZNVCIIFYTQUBFA-PIIMJCKOSA-N 1 1 298.430 3.046 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(CCC)s2)C1 ZINC000971613557 613620560 /nfs/dbraw/zinc/62/05/60/613620560.db2.gz OJCJGCJABDNOFT-CYBMUJFWSA-N 1 1 292.448 3.033 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)C2(C3CCCCC3)CC2)C1 ZINC000980274689 613626461 /nfs/dbraw/zinc/62/64/61/613626461.db2.gz JRMODJAHDQFSJG-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]1CCCCC[C@H]1CNC(=O)C1CCC(=C)CC1 ZINC000969014356 613685444 /nfs/dbraw/zinc/68/54/44/613685444.db2.gz YRZJCANTZBAELF-KRWDZBQOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCCC12CC2 ZINC000968913450 613686395 /nfs/dbraw/zinc/68/63/95/613686395.db2.gz GMXGJAOIKXXJDV-JKSUJKDBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)C=C2CCCCC2)CC1 ZINC000948208254 613703939 /nfs/dbraw/zinc/70/39/39/613703939.db2.gz HZFUBSDHUOKPGV-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)c2ccccc2C)CC1 ZINC000948159517 613705075 /nfs/dbraw/zinc/70/50/75/613705075.db2.gz OCVIYWZUWWHDRH-INIZCTEOSA-N 1 1 286.419 3.108 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC000968566782 613733745 /nfs/dbraw/zinc/73/37/45/613733745.db2.gz XXBLOYFEERVWRB-QBPKDAKJSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C2=CCCCCC2)C[C@@H]1C ZINC000947240641 613741171 /nfs/dbraw/zinc/74/11/71/613741171.db2.gz QPLIQJBUZYUZHG-GOEBONIOSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC2(C)C)C(C)(C)C1 ZINC000940960362 613745915 /nfs/dbraw/zinc/74/59/15/613745915.db2.gz FIEOLNRJXRBVKH-LSDHHAIUSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccoc2C(C)C)C[C@@H]1C ZINC000948072640 613756299 /nfs/dbraw/zinc/75/62/99/613756299.db2.gz AOUKIJRANMPEJF-UONOGXRCSA-N 1 1 290.407 3.172 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccoc2CCC)C[C@H]1C ZINC000947925576 613756475 /nfs/dbraw/zinc/75/64/75/613756475.db2.gz QIQFTLDCMYDTFW-ZIAGYGMSSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cccc(C3CC3)c2)C1 ZINC000968688700 613773770 /nfs/dbraw/zinc/77/37/70/613773770.db2.gz NKDZZPYCRRTCLI-KBXCAEBGSA-N 1 1 298.430 3.190 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)CC2CC(C)(C)C2)C(C)(C)C1 ZINC000940974376 613780613 /nfs/dbraw/zinc/78/06/13/613780613.db2.gz AXSYBOJGFXWUNG-HNNXBMFYSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2csc(Cl)c2)C[C@H]1C ZINC000947776821 613799401 /nfs/dbraw/zinc/79/94/01/613799401.db2.gz YNEAVMGSYFYAGK-PWSUYJOCSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C(C)(C)C1 ZINC000977500281 613807803 /nfs/dbraw/zinc/80/78/03/613807803.db2.gz JIGHQFYVEDYWGI-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C(C)(C)C1 ZINC000974589038 613827609 /nfs/dbraw/zinc/82/76/09/613827609.db2.gz RXLWVBAXYPSGCC-ZNMIVQPWSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(COc2ccc(F)cc2)no1 ZINC000900004954 620744262 /nfs/dbraw/zinc/74/42/62/620744262.db2.gz UKVPCYKDFCCLAO-ZDUSSCGKSA-N 1 1 291.326 3.144 20 30 CGEDMO C#CC[N@H+](CCCCCCO)[C@@H]1CCc2ccccc21 ZINC000175751279 617676325 /nfs/dbraw/zinc/67/63/25/617676325.db2.gz CSFHMWCYTGWZJH-GOSISDBHSA-N 1 1 271.404 3.162 20 30 CGEDMO C=CCCCCCCNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000807571015 617856902 /nfs/dbraw/zinc/85/69/02/617856902.db2.gz YFPVYGXNCHZKIR-HOTGVXAUSA-N 1 1 295.471 3.105 20 30 CGEDMO CC#CC[N@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000175864414 618001000 /nfs/dbraw/zinc/00/10/00/618001000.db2.gz DCWBXNNDUWBWCJ-GJZGRUSLSA-N 1 1 277.433 3.440 20 30 CGEDMO COc1ccc(C[N@H+](C)Cc2csc(C#N)c2)cc1F ZINC000891510626 618234716 /nfs/dbraw/zinc/23/47/16/618234716.db2.gz ZORNOZDLLOUFDY-UHFFFAOYSA-N 1 1 290.363 3.399 20 30 CGEDMO COc1ccc(C[N@@H+](C)Cc2csc(C#N)c2)cc1F ZINC000891510626 618234718 /nfs/dbraw/zinc/23/47/18/618234718.db2.gz ZORNOZDLLOUFDY-UHFFFAOYSA-N 1 1 290.363 3.399 20 30 CGEDMO C[C@@H]1C[C@@H](Nc2ccc(C#N)cc2Cl)CC[N@H+]1C ZINC000157964522 618237694 /nfs/dbraw/zinc/23/76/94/618237694.db2.gz GVTDQRZZCPEPNN-PWSUYJOCSA-N 1 1 263.772 3.106 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)C[C@@H]1C[C@]1(C)Br ZINC000891937565 618396295 /nfs/dbraw/zinc/39/62/95/618396295.db2.gz NFZBOAIZOMHGGM-STQMWFEESA-N 1 1 287.245 3.422 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)C[C@@H]1C[C@]1(C)Br ZINC000891937565 618396301 /nfs/dbraw/zinc/39/63/01/618396301.db2.gz NFZBOAIZOMHGGM-STQMWFEESA-N 1 1 287.245 3.422 20 30 CGEDMO N#CC1CCC(C[N@H+]2CC[C@H](Cc3nccs3)C2)CC1 ZINC000934329455 618594608 /nfs/dbraw/zinc/59/46/08/618594608.db2.gz QZODRZVTVRKUQY-YMAMQOFZSA-N 1 1 289.448 3.337 20 30 CGEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CC[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000934338608 618600359 /nfs/dbraw/zinc/60/03/59/618600359.db2.gz AHVLMAZCCHEOSE-WDSOQIARSA-N 1 1 296.414 3.301 20 30 CGEDMO C=C[C@@H](C)OC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000781578369 618714466 /nfs/dbraw/zinc/71/44/66/618714466.db2.gz ATQYRWINBLYZIW-UKRRQHHQSA-N 1 1 261.365 3.187 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)C2CCCCCC2)C1 ZINC001006900881 618799318 /nfs/dbraw/zinc/79/93/18/618799318.db2.gz WABUPHSTRHJQQZ-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)C2CCCCCC2)C1 ZINC001006900884 618799808 /nfs/dbraw/zinc/79/98/08/618799808.db2.gz WABUPHSTRHJQQZ-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@H+](C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC000178465241 619210115 /nfs/dbraw/zinc/21/01/15/619210115.db2.gz PBLFQKPJYIDBBK-ZDUSSCGKSA-N 1 1 270.417 3.044 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](C)Cc1ccncc1 ZINC000893539166 619209857 /nfs/dbraw/zinc/20/98/57/619209857.db2.gz DNGHYBHJUNRFAU-UHFFFAOYSA-N 1 1 265.360 3.202 20 30 CGEDMO CC(C)[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000226983950 619234122 /nfs/dbraw/zinc/23/41/22/619234122.db2.gz FSTCLQFKTBRSOO-FUHWJXTLSA-N 1 1 286.419 3.350 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1cc(C)nc2c1CCCC2 ZINC000893605416 619235360 /nfs/dbraw/zinc/23/53/60/619235360.db2.gz FYXIPCSMXXIHIL-CQSZACIVSA-N 1 1 257.381 3.051 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CCO[C@H](C3CCC3)C2)cc1 ZINC000840954979 619261312 /nfs/dbraw/zinc/26/13/12/619261312.db2.gz OMDBDTNSBSQFRF-IBGZPJMESA-N 1 1 299.414 3.090 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CCO[C@H](C3CCC3)C2)cc1 ZINC000840954979 619261313 /nfs/dbraw/zinc/26/13/13/619261313.db2.gz OMDBDTNSBSQFRF-IBGZPJMESA-N 1 1 299.414 3.090 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)C1 ZINC000931910196 619269684 /nfs/dbraw/zinc/26/96/84/619269684.db2.gz AZJSZBRRNYGCGB-VWYCJHECSA-N 1 1 276.277 3.045 20 30 CGEDMO Cc1ccnc(N)c1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000893929826 619334897 /nfs/dbraw/zinc/33/48/97/619334897.db2.gz XXLXFLATGLUDIS-UHFFFAOYSA-N 1 1 292.386 3.009 20 30 CGEDMO Cc1ccnc(N)c1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000893929826 619334899 /nfs/dbraw/zinc/33/48/99/619334899.db2.gz XXLXFLATGLUDIS-UHFFFAOYSA-N 1 1 292.386 3.009 20 30 CGEDMO COCC[N@@H+](Cc1csc(C#N)c1)[C@H]1CC[C@H](C)C1 ZINC000894002047 619349408 /nfs/dbraw/zinc/34/94/08/619349408.db2.gz UPBPBHMCNAXLJH-JSGCOSHPSA-N 1 1 278.421 3.257 20 30 CGEDMO Cc1ncoc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000894096301 619370634 /nfs/dbraw/zinc/37/06/34/619370634.db2.gz WPOKSGNHIYCYBQ-UHFFFAOYSA-N 1 1 279.343 3.144 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000034673944 619373200 /nfs/dbraw/zinc/37/32/00/619373200.db2.gz DKPZVUAFSFRTQZ-CQSZACIVSA-N 1 1 258.365 3.059 20 30 CGEDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1csc(C#N)c1 ZINC000894143111 619392168 /nfs/dbraw/zinc/39/21/68/619392168.db2.gz SCSRMJLFCBUFDM-KWQFWETISA-N 1 1 274.311 3.392 20 30 CGEDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1csc(C#N)c1 ZINC000894143111 619392170 /nfs/dbraw/zinc/39/21/70/619392170.db2.gz SCSRMJLFCBUFDM-KWQFWETISA-N 1 1 274.311 3.392 20 30 CGEDMO C[NH+]1CCN(N=Cc2sc3ccccc3c2Cl)CC1 ZINC000814684993 619422192 /nfs/dbraw/zinc/42/21/92/619422192.db2.gz GHZJCBUYMRDSTJ-UHFFFAOYSA-N 1 1 293.823 3.136 20 30 CGEDMO Cc1nn(-c2ccccc2C)c(C)c1C[NH2+]CC(C)(C)C#N ZINC000894452994 619542945 /nfs/dbraw/zinc/54/29/45/619542945.db2.gz CEIPATJPEVVVST-UHFFFAOYSA-N 1 1 296.418 3.437 20 30 CGEDMO C=CC[N@H+](Cc1cc(C)cc(OC)c1OC)C1CC1 ZINC000894457030 619543528 /nfs/dbraw/zinc/54/35/28/619543528.db2.gz XYEPLYWBJYGGAQ-UHFFFAOYSA-N 1 1 261.365 3.163 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)cs1 ZINC000894543822 619570092 /nfs/dbraw/zinc/57/00/92/619570092.db2.gz FGINDHNFUQFEGR-AWEZNQCLSA-N 1 1 258.390 3.384 20 30 CGEDMO C[C@]12CC[N@H+](Cc3csc(C#N)c3)C[C@H]1C2(F)F ZINC000894580027 619581964 /nfs/dbraw/zinc/58/19/64/619581964.db2.gz HOGKMCPOOSUEFR-NEPJUHHUSA-N 1 1 268.332 3.097 20 30 CGEDMO C[C@]12CC[N@@H+](Cc3csc(C#N)c3)C[C@H]1C2(F)F ZINC000894580027 619581969 /nfs/dbraw/zinc/58/19/69/619581969.db2.gz HOGKMCPOOSUEFR-NEPJUHHUSA-N 1 1 268.332 3.097 20 30 CGEDMO CO[C@H]1C[C@H]([N@@H+](C)Cc2csc(C#N)c2)C12CCC2 ZINC000894753841 619623012 /nfs/dbraw/zinc/62/30/12/619623012.db2.gz NUIGAESNTUGHLM-KBPBESRZSA-N 1 1 276.405 3.009 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCSC3(CCC3)CC2)cs1 ZINC000894889172 619669452 /nfs/dbraw/zinc/66/94/52/619669452.db2.gz KJJHFBLXMOADOR-UHFFFAOYSA-N 1 1 278.446 3.481 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000134242412 619718616 /nfs/dbraw/zinc/71/86/16/619718616.db2.gz LHPBUFYCBDRRQF-BXUZGUMPSA-N 1 1 251.757 3.063 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000134242412 619718619 /nfs/dbraw/zinc/71/86/19/619718619.db2.gz LHPBUFYCBDRRQF-BXUZGUMPSA-N 1 1 251.757 3.063 20 30 CGEDMO C#CC[N@@H+](Cc1cnn(C=C)c1)[C@H]1CCc2ccccc21 ZINC000193580596 619728272 /nfs/dbraw/zinc/72/82/72/619728272.db2.gz DTNRYSQDRPELMU-SFHVURJKSA-N 1 1 277.371 3.106 20 30 CGEDMO C#CC[N@H+](Cc1cnn(C=C)c1)[C@H]1CCc2ccccc21 ZINC000193580596 619728275 /nfs/dbraw/zinc/72/82/75/619728275.db2.gz DTNRYSQDRPELMU-SFHVURJKSA-N 1 1 277.371 3.106 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccccc2OCC(F)F)C1 ZINC000895227732 619786495 /nfs/dbraw/zinc/78/64/95/619786495.db2.gz CSHRBCRZGYXLOI-ZDUSSCGKSA-N 1 1 294.345 3.456 20 30 CGEDMO C=CCOc1cccc(C[N@H+](C)Cc2ccns2)c1 ZINC000895453073 619830041 /nfs/dbraw/zinc/83/00/41/619830041.db2.gz CXXVJMGDIUTKRS-UHFFFAOYSA-N 1 1 274.389 3.340 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](C)Cc2ccns2)c1 ZINC000895453073 619830043 /nfs/dbraw/zinc/83/00/43/619830043.db2.gz CXXVJMGDIUTKRS-UHFFFAOYSA-N 1 1 274.389 3.340 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](CF)C2)cc1 ZINC000895545149 619846981 /nfs/dbraw/zinc/84/69/81/619846981.db2.gz CPBARBHMFVFEOT-ZFWWWQNUSA-N 1 1 276.355 3.159 20 30 CGEDMO C=CC[C@H]1CC[N@H+](C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000895561279 619849964 /nfs/dbraw/zinc/84/99/64/619849964.db2.gz ZATQKYUIWUWPSR-SOUVJXGZSA-N 1 1 294.439 3.188 20 30 CGEDMO C[C@@H]1[C@@H](Nc2cc(C#N)ccc2C(F)(F)F)CC[N@H+]1C ZINC000895740172 619878376 /nfs/dbraw/zinc/87/83/76/619878376.db2.gz LVWNXZIOKVVADI-SKDRFNHKSA-N 1 1 283.297 3.082 20 30 CGEDMO C=CCOc1cccc(NC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000895856363 619898019 /nfs/dbraw/zinc/89/80/19/619898019.db2.gz XZVHLYBRUMYVAB-HNNXBMFYSA-N 1 1 288.391 3.063 20 30 CGEDMO C=CCOc1cccc(NC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000895856363 619898021 /nfs/dbraw/zinc/89/80/21/619898021.db2.gz XZVHLYBRUMYVAB-HNNXBMFYSA-N 1 1 288.391 3.063 20 30 CGEDMO C[C@@]1(C(F)(F)F)CC[N@H+](Cc2csc(C#N)c2)C1 ZINC000895939218 619912460 /nfs/dbraw/zinc/91/24/60/619912460.db2.gz QEASEEVOCUNUEU-LLVKDONJSA-N 1 1 274.311 3.394 20 30 CGEDMO C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2csc(C#N)c2)C1 ZINC000895939218 619912466 /nfs/dbraw/zinc/91/24/66/619912466.db2.gz QEASEEVOCUNUEU-LLVKDONJSA-N 1 1 274.311 3.394 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@H+](C)CCCCOC ZINC000841894776 619928175 /nfs/dbraw/zinc/92/81/75/619928175.db2.gz UWJJIISFPVPQJE-UHFFFAOYSA-N 1 1 295.810 3.210 20 30 CGEDMO Cc1ccc(CNc2nc(C)[nH+]c(C)c2C)cc1C#N ZINC000896116895 619950926 /nfs/dbraw/zinc/95/09/26/619950926.db2.gz DMORFLAANYQOCI-UHFFFAOYSA-N 1 1 266.348 3.194 20 30 CGEDMO C=C1CCC(C(=O)NCCCNc2ccc(C)c[nH+]2)CC1 ZINC000896444267 620010929 /nfs/dbraw/zinc/01/09/29/620010929.db2.gz GZVNZMQKMSCIKI-UHFFFAOYSA-N 1 1 287.407 3.055 20 30 CGEDMO COCc1c(C)cc(C)c(C[N@@H+]2CCC[C@@H](C#N)C2)c1C ZINC000896500656 620017489 /nfs/dbraw/zinc/01/74/89/620017489.db2.gz IXSBHNRWVXOZEC-INIZCTEOSA-N 1 1 286.419 3.494 20 30 CGEDMO COCc1c(C)cc(C)c(C[N@H+]2CCC[C@@H](C#N)C2)c1C ZINC000896500656 620017493 /nfs/dbraw/zinc/01/74/93/620017493.db2.gz IXSBHNRWVXOZEC-INIZCTEOSA-N 1 1 286.419 3.494 20 30 CGEDMO N#Cc1cnc(Cl)c(C[NH2+][C@@H](c2ccccn2)C2CC2)c1 ZINC000896610291 620035257 /nfs/dbraw/zinc/03/52/57/620035257.db2.gz UQQYKMGKNSFUQE-OAHLLOKOSA-N 1 1 298.777 3.243 20 30 CGEDMO CCCCCCCC[N@H+]1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000796378358 620096034 /nfs/dbraw/zinc/09/60/34/620096034.db2.gz PWWNMVSMEPQNOY-IRXDYDNUSA-N 1 1 282.472 3.142 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000796606215 620115297 /nfs/dbraw/zinc/11/52/97/620115297.db2.gz DJVTZUJJZFNTKZ-HOTGVXAUSA-N 1 1 269.429 3.227 20 30 CGEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)C[C@@H]2C=CCC2)CC1 ZINC000985249055 620142624 /nfs/dbraw/zinc/14/26/24/620142624.db2.gz ODBSZDCDTVGQTG-CQSZACIVSA-N 1 1 296.842 3.018 20 30 CGEDMO CC#CC[N@H+](C)Cc1ccccc1OCc1ccccn1 ZINC000897167027 620153992 /nfs/dbraw/zinc/15/39/92/620153992.db2.gz VVONANXDYPLJSL-UHFFFAOYSA-N 1 1 280.371 3.116 20 30 CGEDMO CC#CC[N@@H+](C)Cc1ccccc1OCc1ccccn1 ZINC000897167027 620153993 /nfs/dbraw/zinc/15/39/93/620153993.db2.gz VVONANXDYPLJSL-UHFFFAOYSA-N 1 1 280.371 3.116 20 30 CGEDMO C=CCC[N@H+](CC(C)C)C[C@H](O)c1ccc(F)cc1 ZINC000121295278 620174698 /nfs/dbraw/zinc/17/46/98/620174698.db2.gz HSAPSKCWFTYYQM-INIZCTEOSA-N 1 1 265.372 3.393 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[C@H]2CCC)CC1 ZINC000985507465 620203226 /nfs/dbraw/zinc/20/32/26/620203226.db2.gz XVIGLDOQHWFASW-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@]2(C)C=CCC2)CC1 ZINC000985580333 620215430 /nfs/dbraw/zinc/21/54/30/620215430.db2.gz HRQWKZBGEMEOGI-MRXNPFEDSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@@]2(C)C=CCC2)CC1 ZINC000985580330 620215491 /nfs/dbraw/zinc/21/54/91/620215491.db2.gz HRQWKZBGEMEOGI-INIZCTEOSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C1CCC(C(=O)N2CCC([N@H+](C)CC(C)C)CC2)CC1 ZINC000985618620 620222196 /nfs/dbraw/zinc/22/21/96/620222196.db2.gz KMOHIKFERORQPF-UHFFFAOYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@]2(C)C(C)C)CC1 ZINC000985724042 620231988 /nfs/dbraw/zinc/23/19/88/620231988.db2.gz BQLTTXNINHJSIQ-FUHWJXTLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCCCC[N@H+]1CCCC[C@@H]1CN1CCCC1=O ZINC000785695405 620386508 /nfs/dbraw/zinc/38/65/08/620386508.db2.gz YTJCAZQXBPLRIM-MRXNPFEDSA-N 1 1 278.440 3.210 20 30 CGEDMO Cc1ccc(C[N@@H+](C)Cc2cc(C#N)cs2)c(O)c1 ZINC000897624315 620411648 /nfs/dbraw/zinc/41/16/48/620411648.db2.gz HYGNYHSTUHQMJU-UHFFFAOYSA-N 1 1 272.373 3.266 20 30 CGEDMO COCc1csc(C[N@H+](C)Cc2cc(C#N)cs2)c1 ZINC000897624609 620412838 /nfs/dbraw/zinc/41/28/38/620412838.db2.gz RDKNGQSRCPEVKF-UHFFFAOYSA-N 1 1 292.429 3.460 20 30 CGEDMO COCc1csc(C[N@@H+](C)Cc2cc(C#N)cs2)c1 ZINC000897624609 620412841 /nfs/dbraw/zinc/41/28/41/620412841.db2.gz RDKNGQSRCPEVKF-UHFFFAOYSA-N 1 1 292.429 3.460 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCN(c2ccccc2)[C@@H](C)C1 ZINC000898067518 620473987 /nfs/dbraw/zinc/47/39/87/620473987.db2.gz GHUGNQPTUZEFDQ-HOTGVXAUSA-N 1 1 271.408 3.137 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)[C@H]2CC[C@H](CC)CC2)CC1 ZINC000989523609 620516803 /nfs/dbraw/zinc/51/68/03/620516803.db2.gz OMUUNFBBBMIDMV-QAQDUYKDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000989603773 620518596 /nfs/dbraw/zinc/51/85/96/620518596.db2.gz GMXLYUCQFHZALJ-UHFFFAOYSA-N 1 1 298.839 3.126 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)C3CC=CC3)CCC[C@H]12 ZINC000990078902 620535855 /nfs/dbraw/zinc/53/58/55/620535855.db2.gz BOPJNPFXUOJBTA-WMZOPIPTSA-N 1 1 288.435 3.032 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H](C)C3CC3)CCC[C@H]12 ZINC000990152785 620537438 /nfs/dbraw/zinc/53/74/38/620537438.db2.gz XNHCXNMLIPVZEM-UWWQBHOKSA-N 1 1 290.451 3.112 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)cs1 ZINC000898513389 620594708 /nfs/dbraw/zinc/59/47/08/620594708.db2.gz SSAFKBUCVIYGBP-LSDHHAIUSA-N 1 1 290.432 3.258 20 30 CGEDMO CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)CCO[C@H](C)C#N ZINC000801926619 621395761 /nfs/dbraw/zinc/39/57/61/621395761.db2.gz YDMZIVPWIVNFJR-PBHICJAKSA-N 1 1 292.398 3.253 20 30 CGEDMO COCC[C@H]([NH2+][C@H](C)c1cc(C#N)ccn1)c1ccc(C)o1 ZINC000902943425 621496673 /nfs/dbraw/zinc/49/66/73/621496673.db2.gz ZOSRZEBIILFYPD-HIFRSBDPSA-N 1 1 299.374 3.283 20 30 CGEDMO Cc1c(C[NH2+][C@H](C)c2cc(C#N)ccn2)cccc1[N+](=O)[O-] ZINC000902971702 621517479 /nfs/dbraw/zinc/51/74/79/621517479.db2.gz ZPTYBXVNWTZFGW-GFCCVEGCSA-N 1 1 296.330 3.021 20 30 CGEDMO Cc1c([C@@H](C)[NH2+]CC2(C#N)CCC2)cnn1C(C)(C)C ZINC000903033518 621536896 /nfs/dbraw/zinc/53/68/96/621536896.db2.gz WMGNCMJAIDWDBV-GFCCVEGCSA-N 1 1 274.412 3.291 20 30 CGEDMO CC[C@@H]([NH2+]CC1(C#N)CCC1)c1ccc(F)cc1O ZINC000903035919 621537284 /nfs/dbraw/zinc/53/72/84/621537284.db2.gz WIQXERXJMIBWBA-CYBMUJFWSA-N 1 1 262.328 3.266 20 30 CGEDMO COc1cccc2c1OCCC[C@@H]2[NH2+]CC1(C#N)CCC1 ZINC000903035144 621537860 /nfs/dbraw/zinc/53/78/60/621537860.db2.gz JLQULWHQOSUCJD-AWEZNQCLSA-N 1 1 286.375 3.192 20 30 CGEDMO CC(C)(C#N)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000903099981 621572624 /nfs/dbraw/zinc/57/26/24/621572624.db2.gz DYNMZNRTCJAKFN-NNZMDNLPSA-N 1 1 297.446 3.321 20 30 CGEDMO COc1ccc([C@@H](C)[NH2+]CC2(C#N)CCCC2)c(OC)c1 ZINC000903107797 621581903 /nfs/dbraw/zinc/58/19/03/621581903.db2.gz FMOUULYQCSFRFT-CYBMUJFWSA-N 1 1 288.391 3.438 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CCCC1)c1ccc([S@](C)=O)cc1 ZINC000903109593 621582822 /nfs/dbraw/zinc/58/28/22/621582822.db2.gz SCELXISNUNESMB-RBZFPXEDSA-N 1 1 290.432 3.159 20 30 CGEDMO CC[C@@H]([NH2+]Cc1cc(N(C)C)ccn1)c1ccc(C#N)cc1 ZINC000903198400 621623313 /nfs/dbraw/zinc/62/33/13/621623313.db2.gz KQDGGAOOXZKJSY-GOSISDBHSA-N 1 1 294.402 3.260 20 30 CGEDMO C=CC[C@H]1[N@@H+](C[C@@H](N)CC(F)F)CCCC1(C)C ZINC000903913545 621832893 /nfs/dbraw/zinc/83/28/93/621832893.db2.gz DVPMTSPCCBHWAP-NWDGAFQWSA-N 1 1 260.372 3.036 20 30 CGEDMO C=CC[C@H]1[N@H+](C[C@@H](N)CC(F)F)CCCC1(C)C ZINC000903913545 621832894 /nfs/dbraw/zinc/83/28/94/621832894.db2.gz DVPMTSPCCBHWAP-NWDGAFQWSA-N 1 1 260.372 3.036 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(Cc2cccc(C)c2)no1 ZINC000904539577 621932453 /nfs/dbraw/zinc/93/24/53/621932453.db2.gz QGRRKWPSHKSMKP-CQSZACIVSA-N 1 1 271.364 3.325 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2cc(F)cc(F)c2)no1 ZINC000904545974 621932594 /nfs/dbraw/zinc/93/25/94/621932594.db2.gz MCSKZRLRWZTPLN-GFCCVEGCSA-N 1 1 279.290 3.371 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(-c2cnc3ccc(C)cn32)no1 ZINC000904720726 621956383 /nfs/dbraw/zinc/95/63/83/621956383.db2.gz FGIPJTYORHPERQ-LBPRGKRZSA-N 1 1 297.362 3.049 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2C[C@H](C)C[C@@H]2C)cc1 ZINC000769471263 625570964 /nfs/dbraw/zinc/57/09/64/625570964.db2.gz RPKOTJNYOPGUIJ-CABCVRRESA-N 1 1 257.377 3.319 20 30 CGEDMO N#CC[C@@H](O)C[N@@H+]1CC=C(c2cccc3ccccc32)CC1 ZINC000929410524 623289076 /nfs/dbraw/zinc/28/90/76/623289076.db2.gz ABOIPQLRDRMAOG-QGZVFWFLSA-N 1 1 292.382 3.203 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC2(CCCC2)C1 ZINC000174277138 623383041 /nfs/dbraw/zinc/38/30/41/623383041.db2.gz GXCOPCJTAXNCKO-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000311654635 623458002 /nfs/dbraw/zinc/45/80/02/623458002.db2.gz UWAYMALGAPMVDS-ZDUSSCGKSA-N 1 1 268.282 3.251 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000929819312 623755365 /nfs/dbraw/zinc/75/53/65/623755365.db2.gz XZWPEMUDZJMTDB-SFHVURJKSA-N 1 1 296.370 3.342 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000929819312 623755372 /nfs/dbraw/zinc/75/53/72/623755372.db2.gz XZWPEMUDZJMTDB-SFHVURJKSA-N 1 1 296.370 3.342 20 30 CGEDMO C[NH+]1CCC[C@H]2C[N@@H+](CCCCC3(C#N)CCC3)CC[C@H]21 ZINC000929848752 623859643 /nfs/dbraw/zinc/85/96/43/623859643.db2.gz UFPZIPWQNPLVNF-DLBZAZTESA-N 1 1 289.467 3.267 20 30 CGEDMO C[N@@H+]1CCC[C@H]2CN(CCCCC3(C#N)CCC3)CC[C@H]21 ZINC000929848752 623859644 /nfs/dbraw/zinc/85/96/44/623859644.db2.gz UFPZIPWQNPLVNF-DLBZAZTESA-N 1 1 289.467 3.267 20 30 CGEDMO C[N@H+]1CCC[C@H]2CN(CCCCC3(C#N)CCC3)CC[C@H]21 ZINC000929848752 623859645 /nfs/dbraw/zinc/85/96/45/623859645.db2.gz UFPZIPWQNPLVNF-DLBZAZTESA-N 1 1 289.467 3.267 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2c(C)coc2C)[C@H]1C ZINC000993278545 623998069 /nfs/dbraw/zinc/99/80/69/623998069.db2.gz JIKCCROAXGIVGI-HIFRSBDPSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C2=CCCCCC2)[C@H]1C ZINC000993303493 624002399 /nfs/dbraw/zinc/00/23/99/624002399.db2.gz PYORQFLJNZCUJB-WBVHZDCISA-N 1 1 290.451 3.422 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C2CCCC2)[C@H]1C ZINC000993444738 624050662 /nfs/dbraw/zinc/05/06/62/624050662.db2.gz QLJGMVQDKYAEDQ-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C2CC3(CCC3)C2)[C@H]1C ZINC000993714387 624059142 /nfs/dbraw/zinc/05/91/42/624059142.db2.gz ZKNXNLNZZCHAMG-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C2(C)CC=CC2)[C@@H]1C ZINC000993781993 624062727 /nfs/dbraw/zinc/06/27/27/624062727.db2.gz YKDLAHMSUGGZCL-JKSUJKDBSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](CCCC)[C@@H]2C)C1 ZINC000993795488 624063809 /nfs/dbraw/zinc/06/38/09/624063809.db2.gz XTVURKCAELJWSV-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](NC(=O)c2cc(Cl)cs2)[C@H]1C ZINC000993913063 624066076 /nfs/dbraw/zinc/06/60/76/624066076.db2.gz FFGLQONHMURKJN-PWSUYJOCSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cc(Cl)cs2)[C@H]1C ZINC000993913063 624066078 /nfs/dbraw/zinc/06/60/78/624066078.db2.gz FFGLQONHMURKJN-PWSUYJOCSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1cccc(Cl)c1C)C(C)C ZINC000917069092 624233321 /nfs/dbraw/zinc/23/33/21/624233321.db2.gz HNBONVVNYJNKTF-UHFFFAOYSA-N 1 1 280.799 3.483 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1cccc(Cl)c1C)C(C)C ZINC000917069092 624233322 /nfs/dbraw/zinc/23/33/22/624233322.db2.gz HNBONVVNYJNKTF-UHFFFAOYSA-N 1 1 280.799 3.483 20 30 CGEDMO C=CC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccccc1)C(C)C ZINC000917071716 624233993 /nfs/dbraw/zinc/23/39/93/624233993.db2.gz XZQNJTMPWWPPNP-HNNXBMFYSA-N 1 1 274.408 3.102 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1ccc(C)cc1Cl)C(C)C ZINC000917167044 624248740 /nfs/dbraw/zinc/24/87/40/624248740.db2.gz QHAPXRGSGBRIPT-UHFFFAOYSA-N 1 1 280.799 3.483 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1ccc(C)cc1Cl)C(C)C ZINC000917167044 624248745 /nfs/dbraw/zinc/24/87/45/624248745.db2.gz QHAPXRGSGBRIPT-UHFFFAOYSA-N 1 1 280.799 3.483 20 30 CGEDMO CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)cc(C#N)cc2C)[C@@H](C)C1 ZINC000930000819 624317422 /nfs/dbraw/zinc/31/74/22/624317422.db2.gz RZKYQYIWDFNZJK-QFBILLFUSA-N 1 1 299.462 3.337 20 30 CGEDMO CCN1CC[C@@H]([N@H+](C)Cc2c(C)cc(C#N)cc2C)[C@@H](C)C1 ZINC000930000819 624317429 /nfs/dbraw/zinc/31/74/29/624317429.db2.gz RZKYQYIWDFNZJK-QFBILLFUSA-N 1 1 299.462 3.337 20 30 CGEDMO CCN1CC[C@@H]([N@@H+](C)Cc2c(C)cc(C#N)cc2C)[C@@H](C)C1 ZINC000930000819 624317435 /nfs/dbraw/zinc/31/74/35/624317435.db2.gz RZKYQYIWDFNZJK-QFBILLFUSA-N 1 1 299.462 3.337 20 30 CGEDMO CCCCCCCCCC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000918395283 624346042 /nfs/dbraw/zinc/34/60/42/624346042.db2.gz NAQLHUQIMAVJMC-HNNXBMFYSA-N 1 1 268.445 3.338 20 30 CGEDMO Cc1nccn1CCC[N@@H+](C)CCCCC1(C#N)CCC1 ZINC000930060721 624391970 /nfs/dbraw/zinc/39/19/70/624391970.db2.gz OIBYXXCCYYGTFF-UHFFFAOYSA-N 1 1 288.439 3.378 20 30 CGEDMO Cc1cc(C[N@H+](CCC#N)CC(C)C)cc(C)c1O ZINC000919944199 624434220 /nfs/dbraw/zinc/43/42/20/624434220.db2.gz WWVNVWDUDYEQIY-UHFFFAOYSA-N 1 1 260.381 3.381 20 30 CGEDMO CC[N@@H+](CCc1ccccn1)Cc1cccc(C#N)c1 ZINC000920256687 624463513 /nfs/dbraw/zinc/46/35/13/624463513.db2.gz UYCVIJUXNGKHOS-UHFFFAOYSA-N 1 1 265.360 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](N(CC)C(=O)C2CCC2)CC1 ZINC000997903201 625764981 /nfs/dbraw/zinc/76/49/81/625764981.db2.gz WMPPNERDVOXYLW-HNNXBMFYSA-N 1 1 298.858 3.242 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)c2cocc2C)CC1 ZINC000998085120 625787489 /nfs/dbraw/zinc/78/74/89/625787489.db2.gz QDGZUECXLHCUSC-HNNXBMFYSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC23CC3)CC1 ZINC000998144353 625791475 /nfs/dbraw/zinc/79/14/75/625791475.db2.gz RFUOQKDABJPBFC-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO CC[N@H+](C)Cc1cccc(CNCc2csc(C#N)c2)c1 ZINC000921686654 625834267 /nfs/dbraw/zinc/83/42/67/625834267.db2.gz MOOWUDQNROOHKN-UHFFFAOYSA-N 1 1 299.443 3.361 20 30 CGEDMO CC[N@@H+](C)Cc1cccc(CNCc2csc(C#N)c2)c1 ZINC000921686654 625834273 /nfs/dbraw/zinc/83/42/73/625834273.db2.gz MOOWUDQNROOHKN-UHFFFAOYSA-N 1 1 299.443 3.361 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)c2ccccc2C(C)C)CC1 ZINC001000757469 625880995 /nfs/dbraw/zinc/88/09/95/625880995.db2.gz ORMGPZGMYNOUDN-UHFFFAOYSA-N 1 1 298.430 3.358 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC2(C)C)CC1 ZINC001001071439 625888598 /nfs/dbraw/zinc/88/85/98/625888598.db2.gz WXBSRMTXHUXHFM-INIZCTEOSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001001103827 625889884 /nfs/dbraw/zinc/88/98/84/625889884.db2.gz BZJSHPGTCBOLFV-NVXWUHKLSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@]2(C)CCC[C@@H]2C)CC1 ZINC001003576130 625983857 /nfs/dbraw/zinc/98/38/57/625983857.db2.gz RTKDHHWCPYKEEK-BLLLJJGKSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCC)CC1 ZINC001004332603 626039327 /nfs/dbraw/zinc/03/93/27/626039327.db2.gz IKOSIHYKDGNMLI-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C)C(C)C)CC1 ZINC001004570496 626065473 /nfs/dbraw/zinc/06/54/73/626065473.db2.gz TZBOZBHEGMHDNP-DOTOQJQBSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000886019204 626179562 /nfs/dbraw/zinc/17/95/62/626179562.db2.gz OCRUCYNDMAJMRQ-OAHLLOKOSA-N 1 1 264.413 3.109 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC2(CCCC2)C1 ZINC000838861293 626271347 /nfs/dbraw/zinc/27/13/47/626271347.db2.gz XLAYFXDGUMXMRN-UHFFFAOYSA-N 1 1 285.347 3.233 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC2(CCCC2)C1 ZINC000838861293 626271350 /nfs/dbraw/zinc/27/13/50/626271350.db2.gz XLAYFXDGUMXMRN-UHFFFAOYSA-N 1 1 285.347 3.233 20 30 CGEDMO c1ccc(CNN=C2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000839398671 626344839 /nfs/dbraw/zinc/34/48/39/626344839.db2.gz ANBDZTNDDORUCB-UHFFFAOYSA-N 1 1 279.387 3.038 20 30 CGEDMO c1ccc(CNN=C2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000839398671 626344846 /nfs/dbraw/zinc/34/48/46/626344846.db2.gz ANBDZTNDDORUCB-UHFFFAOYSA-N 1 1 279.387 3.038 20 30 CGEDMO CCCCCCCCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000873958273 634498439 /nfs/dbraw/zinc/49/84/39/634498439.db2.gz GYLJRUQLHXDMAZ-OAHLLOKOSA-N 1 1 268.445 3.195 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000752092401 626418823 /nfs/dbraw/zinc/41/88/23/626418823.db2.gz BXWZVXOYWRUAFC-INIZCTEOSA-N 1 1 279.811 3.463 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000752092401 626418824 /nfs/dbraw/zinc/41/88/24/626418824.db2.gz BXWZVXOYWRUAFC-INIZCTEOSA-N 1 1 279.811 3.463 20 30 CGEDMO COc1ccc(N[NH+]=Cc2ccc3c(c2)CCN3C)cc1 ZINC000752732588 626436335 /nfs/dbraw/zinc/43/63/35/626436335.db2.gz BSLTUBLAUOWYJQ-UHFFFAOYSA-N 1 1 281.359 3.134 20 30 CGEDMO C[C@@H]1CC(N=Nc2cccc3ncccc23)C[N@H+]1C1CC1 ZINC000753955917 626470163 /nfs/dbraw/zinc/47/01/63/626470163.db2.gz RMDLQRJBNBPAAF-GFCCVEGCSA-N 1 1 280.375 3.259 20 30 CGEDMO C=CC[N@@H+](CCC1OCCCO1)CC1CCCCC1 ZINC000754651341 626580711 /nfs/dbraw/zinc/58/07/11/626580711.db2.gz KIHXOWFGOJGDSJ-UHFFFAOYSA-N 1 1 267.413 3.208 20 30 CGEDMO Cc1cc(C)c(O)c(C[N@H+](CCC#N)CC(C)C)c1 ZINC000754723430 626584498 /nfs/dbraw/zinc/58/44/98/626584498.db2.gz SFFDCEIKKBABDT-UHFFFAOYSA-N 1 1 260.381 3.381 20 30 CGEDMO CCCCCCCCNC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000754864700 626590970 /nfs/dbraw/zinc/59/09/70/626590970.db2.gz KUADDCKAYMLKCF-JKSUJKDBSA-N 1 1 295.471 3.273 20 30 CGEDMO CC(C)c1[nH+]c(/C=C/C(=O)c2cnn(C)c2)c2ccccn21 ZINC000755626530 626632367 /nfs/dbraw/zinc/63/23/67/626632367.db2.gz NHZMSOTXJQDSRK-BQYQJAHWSA-N 1 1 294.358 3.087 20 30 CGEDMO C[C@H]1C[N@H+](C2CC2)CC1N=Nc1cccc2cnccc21 ZINC000755890101 626656268 /nfs/dbraw/zinc/65/62/68/626656268.db2.gz POUYSDUUGBFNLY-LBPRGKRZSA-N 1 1 280.375 3.117 20 30 CGEDMO C[C@@H]1C[N@H+](C2CC2)CC1N=Nc1ccc(Cl)c(F)c1 ZINC000755891509 626657015 /nfs/dbraw/zinc/65/70/15/626657015.db2.gz HYVNDFXHGOMGJF-SECBINFHSA-N 1 1 281.762 3.361 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1ccc2sccc2c1 ZINC000756553834 626714664 /nfs/dbraw/zinc/71/46/64/626714664.db2.gz NYLPWGQRSNMFJS-HNNXBMFYSA-N 1 1 299.395 3.156 20 30 CGEDMO CCCCCCCC[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000756896548 626739934 /nfs/dbraw/zinc/73/99/34/626739934.db2.gz LCBDEOIFBFHCBG-CVEARBPZSA-N 1 1 269.429 3.227 20 30 CGEDMO COc1ccc(N[NH+]=C(C)c2ccc(N)cc2C)cc1 ZINC000758120885 626828709 /nfs/dbraw/zinc/82/87/09/626828709.db2.gz VNVDMCYSRLPJOH-UHFFFAOYSA-N 1 1 269.348 3.422 20 30 CGEDMO N#Cc1cccn(C[N@@H+]2CCCC3(C2)CCCCCC3)c1=O ZINC000758230100 626833739 /nfs/dbraw/zinc/83/37/39/626833739.db2.gz GKHJBYMPAVQGKT-UHFFFAOYSA-N 1 1 299.418 3.114 20 30 CGEDMO N#Cc1cccn(C[N@H+]2CCCC3(C2)CCCCCC3)c1=O ZINC000758230100 626833742 /nfs/dbraw/zinc/83/37/42/626833742.db2.gz GKHJBYMPAVQGKT-UHFFFAOYSA-N 1 1 299.418 3.114 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@@H](C)[S@](=O)CC1 ZINC000759867716 626928364 /nfs/dbraw/zinc/92/83/64/626928364.db2.gz JMEFTDDVQAOSMB-RHSMWYFYSA-N 1 1 259.459 3.190 20 30 CGEDMO C#CCC[N@@H+]1CCCC[C@H]1c1nc2ccccc2n1C ZINC000760854574 626996551 /nfs/dbraw/zinc/99/65/51/626996551.db2.gz ADXYULYFVJOWPL-INIZCTEOSA-N 1 1 267.376 3.124 20 30 CGEDMO C[C@@H]1CC(N=Nc2cccc(C(F)(F)F)c2)C[N@H+]1C ZINC000761792161 627060742 /nfs/dbraw/zinc/06/07/42/627060742.db2.gz BQXHGRFVOWZSGD-SECBINFHSA-N 1 1 271.286 3.197 20 30 CGEDMO COCC#CC[N@@H+]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000762919122 627132382 /nfs/dbraw/zinc/13/23/82/627132382.db2.gz SMTKHRJJYFPDOI-HNNXBMFYSA-N 1 1 297.320 3.492 20 30 CGEDMO COCC#CC[N@H+]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000762919122 627132386 /nfs/dbraw/zinc/13/23/86/627132386.db2.gz SMTKHRJJYFPDOI-HNNXBMFYSA-N 1 1 297.320 3.492 20 30 CGEDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000763242117 627146488 /nfs/dbraw/zinc/14/64/88/627146488.db2.gz RYUIZFVIHFQXLQ-JCGIZDLHSA-N 1 1 286.419 3.492 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000763623876 627170993 /nfs/dbraw/zinc/17/09/93/627170993.db2.gz PLMUZDSWAWJRQH-HNNXBMFYSA-N 1 1 286.419 3.030 20 30 CGEDMO C#CC[N@@H+](Cc1c(Cl)ccc2cccnc21)C1CC1 ZINC000763949675 627186304 /nfs/dbraw/zinc/18/63/04/627186304.db2.gz GMNGKRANMQWAIK-UHFFFAOYSA-N 1 1 270.763 3.486 20 30 CGEDMO C#CC[N@H+](Cc1c(Cl)ccc2cccnc21)C1CC1 ZINC000763949675 627186307 /nfs/dbraw/zinc/18/63/07/627186307.db2.gz GMNGKRANMQWAIK-UHFFFAOYSA-N 1 1 270.763 3.486 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1Oc1cccnc1)C1CC1 ZINC000763950858 627186902 /nfs/dbraw/zinc/18/69/02/627186902.db2.gz PBRRXXLUCRJMLK-UHFFFAOYSA-N 1 1 278.355 3.472 20 30 CGEDMO C#Cc1cccc(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)c1 ZINC000764052231 627192400 /nfs/dbraw/zinc/19/24/00/627192400.db2.gz KDSKTXWSLFSFSQ-SFHVURJKSA-N 1 1 296.414 3.404 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1/N=C\c1ccccc1O ZINC000764887877 627231768 /nfs/dbraw/zinc/23/17/68/627231768.db2.gz IQHUVCMSNWWOIB-OXVNBPLBSA-N 1 1 294.398 3.332 20 30 CGEDMO CC#CCC[N@H+](C)Cc1ccc(N(CC)CC)cc1 ZINC000764953102 627234115 /nfs/dbraw/zinc/23/41/15/627234115.db2.gz CJDXJFSBJMVULC-UHFFFAOYSA-N 1 1 258.409 3.378 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@@H](C)[C@H]1CNC(=O)OC(C)(C)C ZINC000764974887 627234832 /nfs/dbraw/zinc/23/48/32/627234832.db2.gz ILKXFSHJXUPJMF-HUUCEWRRSA-N 1 1 294.439 3.025 20 30 CGEDMO CC#CCC[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 ZINC000764980954 627235318 /nfs/dbraw/zinc/23/53/18/627235318.db2.gz UZLQBWNYDDZYJS-HUUCEWRRSA-N 1 1 294.439 3.025 20 30 CGEDMO CCC#C[C@H](C)[N@@H+](CC)C[C@@H](O)c1ccc(C)cc1 ZINC000765498340 627253812 /nfs/dbraw/zinc/25/38/12/627253812.db2.gz AXMFVKGBPPSUFO-DOTOQJQBSA-N 1 1 259.393 3.152 20 30 CGEDMO C#CCCC[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000766894952 627367822 /nfs/dbraw/zinc/36/78/22/627367822.db2.gz HNJQHZHSKWFXKF-AOOOYVTPSA-N 1 1 287.247 3.463 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)OCCCCn1cc[nH+]c1C ZINC000767691718 627429246 /nfs/dbraw/zinc/42/92/46/627429246.db2.gz UFLYFUFWBRIUNN-CYBMUJFWSA-N 1 1 264.369 3.117 20 30 CGEDMO Cc1cncc([C@H](C)[NH2+]Cc2cc(C#N)ccc2F)c1 ZINC000768226157 627469251 /nfs/dbraw/zinc/46/92/51/627469251.db2.gz CZAHNWFVLIUXQM-LBPRGKRZSA-N 1 1 269.323 3.252 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000768359530 627475868 /nfs/dbraw/zinc/47/58/68/627475868.db2.gz FHVXVZALRJEAMK-IBGZPJMESA-N 1 1 292.382 3.431 20 30 CGEDMO CCON=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000768356118 627475892 /nfs/dbraw/zinc/47/58/92/627475892.db2.gz VOFSHVSPAZATSD-IYBDPMFKSA-N 1 1 258.365 3.206 20 30 CGEDMO C#CCOc1ccc(C[N@H+](C)C2Cc3ccccc3C2)cc1 ZINC000769035224 627519484 /nfs/dbraw/zinc/51/94/84/627519484.db2.gz WOPQSMTYAZTITP-UHFFFAOYSA-N 1 1 291.394 3.298 20 30 CGEDMO C#CC[N@H+](Cc1ccc(NC(C)=O)cc1)C1CCCCC1 ZINC000769145670 627526325 /nfs/dbraw/zinc/52/63/25/627526325.db2.gz MRKDKUXDFVFTSJ-UHFFFAOYSA-N 1 1 284.403 3.413 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@H](C)C[C@@H]2C)cc1 ZINC000769470654 627556986 /nfs/dbraw/zinc/55/69/86/627556986.db2.gz NENZYNZUMBLKIF-HZSPNIEDSA-N 1 1 258.365 3.208 20 30 CGEDMO C=C(C)CN1CCC([NH2+][C@@H](C)c2c(C)onc2CC)CC1 ZINC000769872525 627585292 /nfs/dbraw/zinc/58/52/92/627585292.db2.gz ILWCWAUOGJDDFC-ZDUSSCGKSA-N 1 1 291.439 3.237 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cccc(Br)c1C ZINC000769962223 627593100 /nfs/dbraw/zinc/59/31/00/627593100.db2.gz VHADEPBKNWRCDM-SNVBAGLBSA-N 1 1 266.182 3.211 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)CCOc1cccc2ccccc21 ZINC000769975281 627593812 /nfs/dbraw/zinc/59/38/12/627593812.db2.gz BZXQVHIGPDYLRU-CQSZACIVSA-N 1 1 253.345 3.172 20 30 CGEDMO C=CCCC(=O)O[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000770361811 627615699 /nfs/dbraw/zinc/61/56/99/627615699.db2.gz UDKUAWPNOLOSJR-SFHVURJKSA-N 1 1 299.414 3.259 20 30 CGEDMO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H](C)c1ccncc1 ZINC000771808387 627733216 /nfs/dbraw/zinc/73/32/16/627733216.db2.gz XTKQCUQXBZTZPF-AWEZNQCLSA-N 1 1 268.335 3.417 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)[C@@H](C)c1ccncc1 ZINC000771808387 627733220 /nfs/dbraw/zinc/73/32/20/627733220.db2.gz XTKQCUQXBZTZPF-AWEZNQCLSA-N 1 1 268.335 3.417 20 30 CGEDMO N#Cc1cnc(Nc2ccc([NH+]3CCCCCC3)cc2)cn1 ZINC000772039707 627757748 /nfs/dbraw/zinc/75/77/48/627757748.db2.gz QRKZUBKIRAZXKH-UHFFFAOYSA-N 1 1 293.374 3.472 20 30 CGEDMO CC(C)CC(N)=[NH+]OCc1ccc(Cl)cc1C#N ZINC000774750973 628023921 /nfs/dbraw/zinc/02/39/21/628023921.db2.gz OWRABCJAEOABEQ-UHFFFAOYSA-N 1 1 265.744 3.256 20 30 CGEDMO Cc1cc(Br)cc(C[NH+]2CCC(C#N)CC2)c1 ZINC000774865814 628043748 /nfs/dbraw/zinc/04/37/48/628043748.db2.gz YCMPGVIPIIINGO-UHFFFAOYSA-N 1 1 293.208 3.493 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C)c(OC)c1)C1CCCC1 ZINC000774910868 628049363 /nfs/dbraw/zinc/04/93/63/628049363.db2.gz UIJCSQYLGZRQCL-UHFFFAOYSA-N 1 1 257.377 3.381 20 30 CGEDMO C=CCCC[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775051225 628056956 /nfs/dbraw/zinc/05/69/56/628056956.db2.gz PKKDYNIQQXYYIK-LLVKDONJSA-N 1 1 294.351 3.143 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000775136877 628067209 /nfs/dbraw/zinc/06/72/09/628067209.db2.gz NXUDBYFNCZZZNJ-ZDUSSCGKSA-N 1 1 297.320 3.473 20 30 CGEDMO C#C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1OC)[C@@H]1CCCO1 ZINC000775575855 628110668 /nfs/dbraw/zinc/11/06/68/628110668.db2.gz ZMEFAPPRRJMMOW-PJODQICGSA-N 1 1 293.794 3.180 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(OC)cn1)[C@@H]1CCc2ccccc21 ZINC000775948100 628152948 /nfs/dbraw/zinc/15/29/48/628152948.db2.gz OZFOPVIDZDOGEY-LJQANCHMSA-N 1 1 292.382 3.213 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OC)cn1)[C@@H]1CCc2ccccc21 ZINC000775948100 628152950 /nfs/dbraw/zinc/15/29/50/628152950.db2.gz OZFOPVIDZDOGEY-LJQANCHMSA-N 1 1 292.382 3.213 20 30 CGEDMO N#CC1(C[N@H+](Cc2ccccc2O)C2CCCC2)CC1 ZINC000775970700 628153951 /nfs/dbraw/zinc/15/39/51/628153951.db2.gz DESWKVARJOOXNT-UHFFFAOYSA-N 1 1 270.376 3.441 20 30 CGEDMO CCc1[nH+]c(C=NOCCC(F)(F)F)c2ccccn21 ZINC000777455212 628271880 /nfs/dbraw/zinc/27/18/80/628271880.db2.gz AGBDTRLXODPAFY-UHFFFAOYSA-N 1 1 285.269 3.200 20 30 CGEDMO C#CCCC[N@@H+](CC(=O)OCC)[C@H](C)c1ccccc1 ZINC000777711714 628295120 /nfs/dbraw/zinc/29/51/20/628295120.db2.gz HKKRMOSTBJVJOO-OAHLLOKOSA-N 1 1 273.376 3.026 20 30 CGEDMO C#CCCC[N@H+](CC(=O)OCC)[C@H](C)c1ccccc1 ZINC000777711714 628295121 /nfs/dbraw/zinc/29/51/21/628295121.db2.gz HKKRMOSTBJVJOO-OAHLLOKOSA-N 1 1 273.376 3.026 20 30 CGEDMO CCc1[nH+]c(CN=Nc2cc(Cl)ccn2)c2ccccn21 ZINC000777907364 628309806 /nfs/dbraw/zinc/30/98/06/628309806.db2.gz SCQPDGSBRKIQGZ-UHFFFAOYSA-N 1 1 299.765 3.391 20 30 CGEDMO C#CC[N@H+](C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCc2ccccc21 ZINC000778984199 628381144 /nfs/dbraw/zinc/38/11/44/628381144.db2.gz AYPNWHXROQOZKZ-FCEWJHQRSA-N 1 1 283.415 3.424 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1c(O)cccc1OC ZINC000779170351 628392809 /nfs/dbraw/zinc/39/28/09/628392809.db2.gz UIPVHLIMKXUIRJ-UHFFFAOYSA-N 1 1 287.359 3.225 20 30 CGEDMO CCCOc1ccc(C=NNc2cc[nH+]cc2)cc1OCC ZINC000779808571 628433375 /nfs/dbraw/zinc/43/33/75/628433375.db2.gz MEJMEYWNERIOKF-UHFFFAOYSA-N 1 1 299.374 3.137 20 30 CGEDMO COc1ccc2ccccc2c1C=NNc1cc[nH+]cc1 ZINC000779809559 628434044 /nfs/dbraw/zinc/43/40/44/628434044.db2.gz KPUUARRFFCQTOM-UHFFFAOYSA-N 1 1 277.327 3.111 20 30 CGEDMO COc1cccc2cc(C(C)=NNc3cc[nH+]cc3)oc21 ZINC000779811358 628434385 /nfs/dbraw/zinc/43/43/85/628434385.db2.gz PWEZIVMQBGKIPN-UHFFFAOYSA-N 1 1 281.315 3.094 20 30 CGEDMO Fc1ccc(-c2ccc(C=NNc3cc[nH+]cc3)o2)cc1 ZINC000779812170 628434397 /nfs/dbraw/zinc/43/43/97/628434397.db2.gz ZRTJRUHDHYXQRA-UHFFFAOYSA-N 1 1 281.290 3.349 20 30 CGEDMO C=CCCC(=O)O[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000781040666 628531467 /nfs/dbraw/zinc/53/14/67/628531467.db2.gz WZQOZZBJTPAVQE-WBVHZDCISA-N 1 1 287.403 3.406 20 30 CGEDMO C=CCCC(=O)O[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000781040662 628531747 /nfs/dbraw/zinc/53/17/47/628531747.db2.gz WZQOZZBJTPAVQE-DOTOQJQBSA-N 1 1 287.403 3.406 20 30 CGEDMO CCCNN=C1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000781122823 628538070 /nfs/dbraw/zinc/53/80/70/628538070.db2.gz NOTSEKNZTLFINJ-IAGOWNOFSA-N 1 1 285.435 3.274 20 30 CGEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)CCCC(C)(C)C)c1 ZINC000781883947 628601952 /nfs/dbraw/zinc/60/19/52/628601952.db2.gz IOVLSSPURMQKLE-UHFFFAOYSA-N 1 1 286.419 3.365 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC000781974620 628608272 /nfs/dbraw/zinc/60/82/72/628608272.db2.gz MQZNFKAEZLTQAF-UHFFFAOYSA-N 1 1 288.819 3.118 20 30 CGEDMO C#CCCCCC(=O)O[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000783436520 628712005 /nfs/dbraw/zinc/71/20/05/628712005.db2.gz CMWFLAZXTILAIN-GOSISDBHSA-N 1 1 299.414 3.388 20 30 CGEDMO CCCCCCCC[N@H+]1C[C@H](C)O[C@H](COC)C1 ZINC000784367856 628810114 /nfs/dbraw/zinc/81/01/14/628810114.db2.gz CPJOEOBQMIFGCK-GJZGRUSLSA-N 1 1 257.418 3.083 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC000805764169 628824398 /nfs/dbraw/zinc/82/43/98/628824398.db2.gz XXQFIWCNTGTFIW-CQSZACIVSA-N 1 1 282.428 3.332 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)NC1CCCCCCC1 ZINC000785996161 628906644 /nfs/dbraw/zinc/90/66/44/628906644.db2.gz BBLUQVUHKJKRER-MRXNPFEDSA-N 1 1 278.440 3.256 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)NC1CCCCCCC1 ZINC000785996161 628906648 /nfs/dbraw/zinc/90/66/48/628906648.db2.gz BBLUQVUHKJKRER-MRXNPFEDSA-N 1 1 278.440 3.256 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000786435108 628932826 /nfs/dbraw/zinc/93/28/26/628932826.db2.gz CIEMCKMVGHGVKY-INIZCTEOSA-N 1 1 299.418 3.138 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000787310674 629008191 /nfs/dbraw/zinc/00/81/91/629008191.db2.gz QPLLQUPBZOQYJB-AWEZNQCLSA-N 1 1 262.372 3.432 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1cc(Cl)ccc1OC ZINC000787997350 629038281 /nfs/dbraw/zinc/03/82/81/629038281.db2.gz KSUTVFOLHSRHCC-UHFFFAOYSA-N 1 1 251.757 3.192 20 30 CGEDMO Cc1ccc(C[N@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)nc1 ZINC000789588963 629148643 /nfs/dbraw/zinc/14/86/43/629148643.db2.gz JZIQOJJMWNKJAA-HNNXBMFYSA-N 1 1 295.386 3.313 20 30 CGEDMO CC[C@H](C)NN=C1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000790187537 629191019 /nfs/dbraw/zinc/19/10/19/629191019.db2.gz FXZZMYUKXAERTM-GJZGRUSLSA-N 1 1 273.424 3.273 20 30 CGEDMO CC[C@H](C)NN=C1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000790187537 629191021 /nfs/dbraw/zinc/19/10/21/629191021.db2.gz FXZZMYUKXAERTM-GJZGRUSLSA-N 1 1 273.424 3.273 20 30 CGEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2[C@H](C)C[C@@H]2C)cc1 ZINC000791575274 629290389 /nfs/dbraw/zinc/29/03/89/629290389.db2.gz CCLURAKDCDCWOP-XHSDSOJGSA-N 1 1 299.418 3.113 20 30 CGEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2[C@H](C)C[C@@H]2C)cc1 ZINC000791575274 629290393 /nfs/dbraw/zinc/29/03/93/629290393.db2.gz CCLURAKDCDCWOP-XHSDSOJGSA-N 1 1 299.418 3.113 20 30 CGEDMO C=CC[N@H+](Cc1ccc(N(C)C(C)C)nc1)C(C)C ZINC000792162823 629342544 /nfs/dbraw/zinc/34/25/44/629342544.db2.gz PZTHGCJCYDKVHH-UHFFFAOYSA-N 1 1 261.413 3.323 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)C[C@H](O)c1cnn(CC)c1 ZINC000792364881 629358118 /nfs/dbraw/zinc/35/81/18/629358118.db2.gz IXLHSLYNHXPMNR-SFHVURJKSA-N 1 1 299.418 3.015 20 30 CGEDMO C=C(Br)C[N@H+](CCOC)[C@H]1CC[C@@H](C)C1 ZINC000792465159 629361519 /nfs/dbraw/zinc/36/15/19/629361519.db2.gz KNGRYURURHPNDH-PWSUYJOCSA-N 1 1 276.218 3.032 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000862442726 629375210 /nfs/dbraw/zinc/37/52/10/629375210.db2.gz GLDGGOSUFPVKHI-LLVKDONJSA-N 1 1 251.732 3.324 20 30 CGEDMO C#Cc1ccc(C[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)cc1 ZINC000862443944 629377284 /nfs/dbraw/zinc/37/72/84/629377284.db2.gz QTWCVOXWYKWAGD-BETUJISGSA-N 1 1 263.331 3.391 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2ccnc(Cl)c2Cl)C1 ZINC000862445251 629378596 /nfs/dbraw/zinc/37/85/96/629378596.db2.gz PEPYRKOXQGVMGD-SNVBAGLBSA-N 1 1 269.175 3.234 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccnc(Cl)c2Cl)C1 ZINC000862445251 629378598 /nfs/dbraw/zinc/37/85/98/629378598.db2.gz PEPYRKOXQGVMGD-SNVBAGLBSA-N 1 1 269.175 3.234 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(F)c(Cl)c2)C1 ZINC000862445707 629379326 /nfs/dbraw/zinc/37/93/26/629379326.db2.gz ZZLUQYINWVOPFU-NSHDSACASA-N 1 1 251.732 3.324 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2c(O)cc(C)cc2Cl)C1 ZINC000862446801 629379383 /nfs/dbraw/zinc/37/93/83/629379383.db2.gz FFFLUINZQGEWLI-GFCCVEGCSA-N 1 1 263.768 3.199 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(OC)c(OC3CC3)c2)C1 ZINC000862447580 629381209 /nfs/dbraw/zinc/38/12/09/629381209.db2.gz OOWKDAGMCONIFT-AWEZNQCLSA-N 1 1 285.387 3.082 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+]1CCCC(F)(F)CC1 ZINC000862466822 629383017 /nfs/dbraw/zinc/38/30/17/629383017.db2.gz LXGONQZLSRRXHZ-UHFFFAOYSA-N 1 1 279.330 3.320 20 30 CGEDMO C#CCCC[N@H+](C)[C@]1(c2ccccc2)CCCCC1=O ZINC000792879572 629389825 /nfs/dbraw/zinc/38/98/25/629389825.db2.gz IWJNAHYSWUFMFW-SFHVURJKSA-N 1 1 269.388 3.370 20 30 CGEDMO C[C@@H](C#N)C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793076105 629408077 /nfs/dbraw/zinc/40/80/77/629408077.db2.gz LEXQYIUTEHMIKT-JTQLQIEISA-N 1 1 285.313 3.021 20 30 CGEDMO CCOCCC[N@H+]1CCC(=NOC[C@@H](C)CC)[C@H](C)C1 ZINC000793163994 629420388 /nfs/dbraw/zinc/42/03/88/629420388.db2.gz OXYLKMFDYFIBAL-LSDHHAIUSA-N 1 1 284.444 3.174 20 30 CGEDMO C#CC[C@H](Cc1ccccc1)OC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000793375032 629450617 /nfs/dbraw/zinc/45/06/17/629450617.db2.gz NVWPZDGRMOANLX-MSOLQXFVSA-N 1 1 299.414 3.039 20 30 CGEDMO C#CC[C@H](Cc1ccccc1)OC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000793375032 629450619 /nfs/dbraw/zinc/45/06/19/629450619.db2.gz NVWPZDGRMOANLX-MSOLQXFVSA-N 1 1 299.414 3.039 20 30 CGEDMO C=CCCCCC[C@H](C)[NH2+][C@@H]1CCc2cn[nH]c2C1 ZINC000793532525 629477555 /nfs/dbraw/zinc/47/75/55/629477555.db2.gz MJCIGQVTTJHBBL-DZGCQCFKSA-N 1 1 261.413 3.382 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CCC2(CCCC2)C1 ZINC000794381450 629538696 /nfs/dbraw/zinc/53/86/96/629538696.db2.gz AQJYOJQMSFOLCH-UHFFFAOYSA-N 1 1 258.340 3.463 20 30 CGEDMO N#Cc1cc(F)ccc1CO[NH+]=C(N)CCC(F)(F)F ZINC000863489944 629588899 /nfs/dbraw/zinc/58/88/99/629588899.db2.gz YNKDLKYXCQYFDO-UHFFFAOYSA-N 1 1 289.232 3.038 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000863587574 629611783 /nfs/dbraw/zinc/61/17/83/629611783.db2.gz PRPJKVPOEJNSGC-NHYWBVRUSA-N 1 1 273.767 3.360 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000795088476 629631405 /nfs/dbraw/zinc/63/14/05/629631405.db2.gz VZBRGXAUZFZPOP-OAHLLOKOSA-N 1 1 289.485 3.104 20 30 CGEDMO COCC(C)(C)[N@@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000795192462 629642507 /nfs/dbraw/zinc/64/25/07/629642507.db2.gz KBDIOUVUMGUSOS-UHFFFAOYSA-N 1 1 296.798 3.099 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000796284890 629761385 /nfs/dbraw/zinc/76/13/85/629761385.db2.gz UGVSRPMNHWMDMH-BZZMCLGOSA-N 1 1 284.403 3.183 20 30 CGEDMO N#Cc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000796447174 629782250 /nfs/dbraw/zinc/78/22/50/629782250.db2.gz ABQCIQZTFUCZSC-UHFFFAOYSA-N 1 1 295.361 3.020 20 30 CGEDMO Cc1ccc(N(CCC#N)C(=O)C[NH+]2CCCCC2)cc1C ZINC000799425131 630180648 /nfs/dbraw/zinc/18/06/48/630180648.db2.gz GVIOBUUKNKVGRY-UHFFFAOYSA-N 1 1 299.418 3.036 20 30 CGEDMO Cc1cc(C)c(N[NH2+]C2=CC(=O)N3CCCC[C@H]23)c(C)c1 ZINC000799480897 630187953 /nfs/dbraw/zinc/18/79/53/630187953.db2.gz ARWVXBXVZJUQGF-OAHLLOKOSA-N 1 1 285.391 3.165 20 30 CGEDMO Cc1ccnc(C[NH2+]CC(C)(C)CC#N)c1Br ZINC000865599643 630213378 /nfs/dbraw/zinc/21/33/78/630213378.db2.gz OKFRXQIHYRAEQH-UHFFFAOYSA-N 1 1 296.212 3.182 20 30 CGEDMO C[C@]1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CCN(Cc2ccccc2)C1 ZINC000799724541 630225452 /nfs/dbraw/zinc/22/54/52/630225452.db2.gz FAGDRNRNKGMAEV-IPMKNSEASA-N 1 1 297.446 3.180 20 30 CGEDMO CC[N@@H+](CCc1ccccn1)Cc1ccc(C#N)c(OC)c1 ZINC000799731183 630227089 /nfs/dbraw/zinc/22/70/89/630227089.db2.gz KOGAPDPDMGBSFC-UHFFFAOYSA-N 1 1 295.386 3.026 20 30 CGEDMO C#CCOc1ccccc1C[NH2+]Cc1cccc(OC)c1F ZINC000800237633 630255245 /nfs/dbraw/zinc/25/52/45/630255245.db2.gz JTUFXXRZYKOMSO-UHFFFAOYSA-N 1 1 299.345 3.136 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000801911706 630364299 /nfs/dbraw/zinc/36/42/99/630364299.db2.gz SLCVEVNGGAKZJM-CQSZACIVSA-N 1 1 274.408 3.345 20 30 CGEDMO COc1cccc(C[N@@H+](CCO[C@@H](C)C#N)CC(C)C)c1 ZINC000801913412 630365088 /nfs/dbraw/zinc/36/50/88/630365088.db2.gz DPGZSBOQIGUPAE-HNNXBMFYSA-N 1 1 290.407 3.082 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000801912498 630365111 /nfs/dbraw/zinc/36/51/11/630365111.db2.gz UDQVKWCWQXXGAJ-JTQLQIEISA-N 1 1 287.190 3.354 20 30 CGEDMO Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CCO[C@@H](C)C#N)o1 ZINC000801926008 630368003 /nfs/dbraw/zinc/36/80/03/630368003.db2.gz UATNBEADDGQLFM-QEJZJMRPSA-N 1 1 276.380 3.290 20 30 CGEDMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)CCO[C@H](C)C#N ZINC000801924697 630368113 /nfs/dbraw/zinc/36/81/13/630368113.db2.gz YKTCFDIWMMLROS-NVXWUHKLSA-N 1 1 274.408 3.177 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000801930255 630369296 /nfs/dbraw/zinc/36/92/96/630369296.db2.gz KPPJUEKSKRHFFI-KBXCAEBGSA-N 1 1 284.403 3.457 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000801934805 630370034 /nfs/dbraw/zinc/37/00/34/630370034.db2.gz RAVIVHLTVSVRLU-WBMJQRKESA-N 1 1 294.345 3.420 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000801934805 630370037 /nfs/dbraw/zinc/37/00/37/630370037.db2.gz RAVIVHLTVSVRLU-WBMJQRKESA-N 1 1 294.345 3.420 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC000801937857 630370921 /nfs/dbraw/zinc/37/09/21/630370921.db2.gz AOXFALIYHZTJOO-WKPOEDDGSA-N 1 1 270.376 3.093 20 30 CGEDMO C=CCc1cc(OCC)cc(C[N@H+]2CC[C@@H](F)C2)c1O ZINC000840102921 630594224 /nfs/dbraw/zinc/59/42/24/630594224.db2.gz HKZBBZNXDZMEMY-CQSZACIVSA-N 1 1 279.355 3.063 20 30 CGEDMO C#CC[N@H+](CC[C@H](O)c1ccccc1)Cc1ccc(F)cc1 ZINC000808712551 630668924 /nfs/dbraw/zinc/66/89/24/630668924.db2.gz FPEQNXVBEKVOJY-IBGZPJMESA-N 1 1 297.373 3.385 20 30 CGEDMO CC[N@@H+](C[C@H](O)CC#N)[C@H](C)c1cc2ccccc2o1 ZINC000809572001 630752355 /nfs/dbraw/zinc/75/23/55/630752355.db2.gz GKXBNNHDSAWEPM-TZMCWYRMSA-N 1 1 272.348 3.090 20 30 CGEDMO C#Cc1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cc1 ZINC000809580541 630754503 /nfs/dbraw/zinc/75/45/03/630754503.db2.gz CKFZOVIPZRLFSB-MOPGFXCFSA-N 1 1 282.431 3.115 20 30 CGEDMO C#Cc1ccc(CNCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000809606666 630760238 /nfs/dbraw/zinc/76/02/38/630760238.db2.gz ZDHYNJXPDZAFGC-CALCHBBNSA-N 1 1 284.447 3.126 20 30 CGEDMO C#Cc1ccc(CNCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000809606666 630760240 /nfs/dbraw/zinc/76/02/40/630760240.db2.gz ZDHYNJXPDZAFGC-CALCHBBNSA-N 1 1 284.447 3.126 20 30 CGEDMO C#Cc1ccc(C[N@@H+](CC=C)CCc2ccco2)cc1 ZINC000809635835 630768859 /nfs/dbraw/zinc/76/88/59/630768859.db2.gz LEUSHRCWJMPYME-UHFFFAOYSA-N 1 1 265.356 3.492 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)Cc2ccc(O)cc2)cc1 ZINC000809754010 630800152 /nfs/dbraw/zinc/80/01/52/630800152.db2.gz ZURPWKYXCODERL-CQSZACIVSA-N 1 1 296.370 3.315 20 30 CGEDMO C#CC[N@@H+](Cc1oc(C)nc1C)[C@@H]1CCc2ccccc21 ZINC000809934778 630816837 /nfs/dbraw/zinc/81/68/37/630816837.db2.gz IBRNQBTYDXSULM-QGZVFWFLSA-N 1 1 280.371 3.414 20 30 CGEDMO C#CC[N@H+](Cc1oc(C)nc1C)[C@@H]1CCc2ccccc21 ZINC000809934778 630816842 /nfs/dbraw/zinc/81/68/42/630816842.db2.gz IBRNQBTYDXSULM-QGZVFWFLSA-N 1 1 280.371 3.414 20 30 CGEDMO C#CC[C@H](OC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)(C)C ZINC000810674097 630925736 /nfs/dbraw/zinc/92/57/36/630925736.db2.gz XHGCKVWFFKVXGX-GUYCJALGSA-N 1 1 297.414 3.180 20 30 CGEDMO C=CCCC(C)(C)OC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810692332 630927557 /nfs/dbraw/zinc/92/75/57/630927557.db2.gz CWFPENPVIQAVBK-INIZCTEOSA-N 1 1 285.403 3.487 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC(F)(F)[C@H](C)C2)cc1 ZINC000811512753 631079902 /nfs/dbraw/zinc/07/99/02/631079902.db2.gz RUAHQOIMYBHTCV-CHWSQXEVSA-N 1 1 294.345 3.455 20 30 CGEDMO C[C@H]1C(N=Nc2ccnc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000811647430 631096559 /nfs/dbraw/zinc/09/65/59/631096559.db2.gz MMTFFRGQICZFJP-ZDUSSCGKSA-N 1 1 298.365 3.283 20 30 CGEDMO C=C(C)CNN=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000811651062 631098200 /nfs/dbraw/zinc/09/82/00/631098200.db2.gz FGZCONHUAFCAMZ-HDICACEKSA-N 1 1 283.419 3.335 20 30 CGEDMO C[C@@H]1CC(=NOC2CCC2)C[N@H+](Cc2ccccc2)C1 ZINC000812236325 631227232 /nfs/dbraw/zinc/22/72/32/631227232.db2.gz KNUWUXNWUDFVEE-CQSZACIVSA-N 1 1 272.392 3.454 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000814666462 631619113 /nfs/dbraw/zinc/61/91/13/631619113.db2.gz HCTNBOSZXAUGPQ-JSGCOSHPSA-N 1 1 278.783 3.058 20 30 CGEDMO C=CCOCC[N@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000815048696 631707324 /nfs/dbraw/zinc/70/73/24/631707324.db2.gz ZEKCBTIMDZYCFX-BFYDXBDKSA-N 1 1 275.392 3.040 20 30 CGEDMO C=CCOCC[N@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000815048698 631707510 /nfs/dbraw/zinc/70/75/10/631707510.db2.gz ZEKCBTIMDZYCFX-HLLBOEOZSA-N 1 1 275.392 3.040 20 30 CGEDMO CCN(C)c1ccc(C[N@H+](C)CC(C)(C)C#N)cc1 ZINC000815123746 631722944 /nfs/dbraw/zinc/72/29/44/631722944.db2.gz HTPRWYUZGGMIJJ-UHFFFAOYSA-N 1 1 259.397 3.124 20 30 CGEDMO CCN(C)c1ccc(C[N@@H+](C)CC(C)(C)C#N)cc1 ZINC000815123746 631722947 /nfs/dbraw/zinc/72/29/47/631722947.db2.gz HTPRWYUZGGMIJJ-UHFFFAOYSA-N 1 1 259.397 3.124 20 30 CGEDMO C=C(Cl)CN1CC[N@H+](CC(=C)Cl)[C@@H]2CCCC[C@H]21 ZINC000815252500 631751742 /nfs/dbraw/zinc/75/17/42/631751742.db2.gz VCCOCHWWWCVUHR-ZIAGYGMSSA-N 1 1 289.250 3.420 20 30 CGEDMO C=C(Cl)CN1CC[N@@H+](CC(=C)Cl)[C@@H]2CCCC[C@H]21 ZINC000815252500 631751746 /nfs/dbraw/zinc/75/17/46/631751746.db2.gz VCCOCHWWWCVUHR-ZIAGYGMSSA-N 1 1 289.250 3.420 20 30 CGEDMO C=C(CC)COC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000815444951 631780401 /nfs/dbraw/zinc/78/04/01/631780401.db2.gz OLYMDYUTPVWNOV-OAHLLOKOSA-N 1 1 265.397 3.293 20 30 CGEDMO COc1ccc(C[N@H+]2C[C@@H](C)[C@@H]2C)cc1OCCCC#N ZINC000816647436 632033836 /nfs/dbraw/zinc/03/38/36/632033836.db2.gz SBUCNIKMWVNCSC-KGLIPLIRSA-N 1 1 288.391 3.218 20 30 CGEDMO CC(C)[N@@H+](CCO[C@H](C)C#N)[C@@H](C)c1ccsc1 ZINC000817286373 632115261 /nfs/dbraw/zinc/11/52/61/632115261.db2.gz KBMWGNBTANUYTL-OLZOCXBDSA-N 1 1 266.410 3.448 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000819156288 632390703 /nfs/dbraw/zinc/39/07/03/632390703.db2.gz ZJZLNSBQQNAXLO-GDBMZVCRSA-N 1 1 295.386 3.466 20 30 CGEDMO C[C@@H]1C[N@H+](C2CC2)CC1N=Nc1cc(Cl)nc(Cl)c1 ZINC000819830124 632529028 /nfs/dbraw/zinc/52/90/28/632529028.db2.gz AMRWXOMCLKJXPP-MRVPVSSYSA-N 1 1 299.205 3.270 20 30 CGEDMO C[N@@H+](CC(C)(C)CCC#N)C[C@](C)(O)c1ccccc1 ZINC000822515688 632952936 /nfs/dbraw/zinc/95/29/36/632952936.db2.gz DXXZLTHIMZOLQX-KRWDZBQOSA-N 1 1 274.408 3.156 20 30 CGEDMO C[C@@H]1CCC[C@H](c2noc([C@@H]([NH3+])CCCC#N)n2)C1 ZINC000822760881 633018398 /nfs/dbraw/zinc/01/83/98/633018398.db2.gz SPWBSJWATGNRNA-WOPDTQHZSA-N 1 1 262.357 3.057 20 30 CGEDMO C[N@H+]1CC[C@H]2CN(c3cccc(C(F)F)c3C#N)CC[C@@H]21 ZINC000866206795 633029953 /nfs/dbraw/zinc/02/99/53/633029953.db2.gz FXIXLNFKNRYBGQ-FZMZJTMJSA-N 1 1 291.345 3.026 20 30 CGEDMO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1ccccn1 ZINC000866214735 633031946 /nfs/dbraw/zinc/03/19/46/633031946.db2.gz QURLRVDBWIXBJD-VXGBXAGGSA-N 1 1 267.332 3.071 20 30 CGEDMO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccns1 ZINC000866396815 633122810 /nfs/dbraw/zinc/12/28/10/633122810.db2.gz ADKGPWDUXYLDKY-VHSXEESVSA-N 1 1 273.361 3.132 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC[C@@]3(CCSC3)C2)cc1 ZINC000825215060 633336134 /nfs/dbraw/zinc/33/61/34/633336134.db2.gz FOPYYBLJCOGPOX-QGZVFWFLSA-N 1 1 271.429 3.387 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000826861809 633438369 /nfs/dbraw/zinc/43/83/69/633438369.db2.gz KBEPGRDUEBNOLI-SNVBAGLBSA-N 1 1 282.746 3.310 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000826946187 633445159 /nfs/dbraw/zinc/44/51/59/633445159.db2.gz FUROEJYAFMEEGA-ZDUSSCGKSA-N 1 1 261.365 3.189 20 30 CGEDMO C=C(C)[C@@H](CC(=O)OCc1c(C)cc(C)[nH+]c1C)OCC ZINC000869451094 633446612 /nfs/dbraw/zinc/44/66/12/633446612.db2.gz WRDHQAADEFDQFV-MRXNPFEDSA-N 1 1 291.391 3.421 20 30 CGEDMO CCCCCCCCC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000827347356 633483670 /nfs/dbraw/zinc/48/36/70/633483670.db2.gz UOKRBGKLOVTYMC-CVEARBPZSA-N 1 1 280.456 3.290 20 30 CGEDMO C=C(Br)C[NH2+]Cc1cc(Cl)ccc1OC ZINC000122709023 633493730 /nfs/dbraw/zinc/49/37/30/633493730.db2.gz MWSMKWJKDDGSIZ-UHFFFAOYSA-N 1 1 290.588 3.347 20 30 CGEDMO C#CCC[N@H+](CCOC)CC[C@H](C)c1ccccc1 ZINC000827822877 633522207 /nfs/dbraw/zinc/52/22/07/633522207.db2.gz GWNORKHHRRXIDQ-INIZCTEOSA-N 1 1 259.393 3.152 20 30 CGEDMO COc1cc([C@@H](C)[NH2+]CC2(C#N)CCC2)ccc1F ZINC000828691415 633642048 /nfs/dbraw/zinc/64/20/48/633642048.db2.gz CEDMPUBUBMBQHS-LLVKDONJSA-N 1 1 262.328 3.179 20 30 CGEDMO C[N@@H+](CCCC(C)(C)C#N)C[C@]1(O)CCc2ccccc21 ZINC000829337825 633724763 /nfs/dbraw/zinc/72/47/63/633724763.db2.gz MSJIMORUPQMDRG-GOSISDBHSA-N 1 1 286.419 3.082 20 30 CGEDMO C=C1CC(C)(C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000888577578 633776512 /nfs/dbraw/zinc/77/65/12/633776512.db2.gz MBKRCPGNHQVNOI-UHFFFAOYSA-N 1 1 285.391 3.367 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000829775128 633780121 /nfs/dbraw/zinc/78/01/21/633780121.db2.gz XWVZFRSZQSVRKX-UONOGXRCSA-N 1 1 272.348 3.391 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000829810088 633792589 /nfs/dbraw/zinc/79/25/89/633792589.db2.gz LSARKUVERZOHSM-GFCCVEGCSA-N 1 1 282.309 3.336 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2C)C1 ZINC000829809555 633793058 /nfs/dbraw/zinc/79/30/58/633793058.db2.gz DDUXQUIXWXYBFW-HNNXBMFYSA-N 1 1 252.361 3.102 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](CCC(=O)c2ccc(C)cc2)C1 ZINC000829810348 633793155 /nfs/dbraw/zinc/79/31/55/633793155.db2.gz ONUFQXDQGJBYCB-INIZCTEOSA-N 1 1 269.388 3.303 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000829814995 633795660 /nfs/dbraw/zinc/79/56/60/633795660.db2.gz DGZYYNPNDVSNCH-RYUDHWBXSA-N 1 1 260.208 3.306 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(COC)cc2)C1 ZINC000829815602 633796692 /nfs/dbraw/zinc/79/66/92/633796692.db2.gz PENJLXDWVRNXTC-HNNXBMFYSA-N 1 1 257.377 3.068 20 30 CGEDMO C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000829975796 633814794 /nfs/dbraw/zinc/81/47/94/633814794.db2.gz TXWJIBFSHBQPID-SMDDNHRTSA-N 1 1 298.308 3.117 20 30 CGEDMO C#CC1CC[NH+](Cc2csc(-c3ccccn3)n2)CC1 ZINC000830316004 633848760 /nfs/dbraw/zinc/84/87/60/633848760.db2.gz ASEMZINCSWGZQX-UHFFFAOYSA-N 1 1 283.400 3.050 20 30 CGEDMO Cc1cc(C)c(CON=C2CCCOCC2)c(C)[nH+]1 ZINC000871739688 633848933 /nfs/dbraw/zinc/84/89/33/633848933.db2.gz NUJWGPFVWHYVAE-UHFFFAOYSA-N 1 1 262.353 3.080 20 30 CGEDMO C=C(C)CN1CCC([NH2+][C@@H](C)c2cccc(O)c2F)CC1 ZINC000872033884 633952532 /nfs/dbraw/zinc/95/25/32/633952532.db2.gz JPJDRIUEFOEPAB-ZDUSSCGKSA-N 1 1 292.398 3.222 20 30 CGEDMO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC000831679172 633991855 /nfs/dbraw/zinc/99/18/55/633991855.db2.gz SCCOBDYEXRAHKJ-YUELXQCFSA-N 1 1 299.374 3.039 20 30 CGEDMO CCCCCCCCC[N@@H+]1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000831805370 634003033 /nfs/dbraw/zinc/00/30/33/634003033.db2.gz VSPUAEFDBFTABY-CALCHBBNSA-N 1 1 284.488 3.124 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000832517597 634069625 /nfs/dbraw/zinc/06/96/25/634069625.db2.gz LTZFYFQPBAAHRL-ABAIWWIYSA-N 1 1 280.318 3.030 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000832517597 634069632 /nfs/dbraw/zinc/06/96/32/634069632.db2.gz LTZFYFQPBAAHRL-ABAIWWIYSA-N 1 1 280.318 3.030 20 30 CGEDMO C=CCC(C)(C)c1noc([C@@H]([NH3+])CC(=C)Cl)n1 ZINC000872182817 634081639 /nfs/dbraw/zinc/08/16/39/634081639.db2.gz RLHLAXNSXFAHDT-VIFPVBQESA-N 1 1 255.749 3.066 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](OC3CCC3)CC2)cc1 ZINC000872260134 634090126 /nfs/dbraw/zinc/09/01/26/634090126.db2.gz IRKLTQRMVGIUPR-SFHVURJKSA-N 1 1 284.403 3.482 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](OC3CCC3)CC2)c1 ZINC000872260901 634092249 /nfs/dbraw/zinc/09/22/49/634092249.db2.gz VTJDQVHTEMLHJJ-GOSISDBHSA-N 1 1 284.403 3.482 20 30 CGEDMO N#Cc1c(F)cccc1C[NH2+][C@H]1CCCC[C@H]1F ZINC000873150859 634258624 /nfs/dbraw/zinc/25/86/24/634258624.db2.gz RETPPSYNERTKSK-KGLIPLIRSA-N 1 1 250.292 3.068 20 30 CGEDMO C=CC(C)(C)C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000834883696 634265473 /nfs/dbraw/zinc/26/54/73/634265473.db2.gz OWZPFMLWYZPZAC-NSHDSACASA-N 1 1 277.364 3.042 20 30 CGEDMO C#CCOc1ccc([C@H](C)[NH2+]Cc2cnc(CCC)o2)cc1 ZINC000834898531 634275391 /nfs/dbraw/zinc/27/53/91/634275391.db2.gz FYVZYCQOJNYQKP-AWEZNQCLSA-N 1 1 298.386 3.490 20 30 CGEDMO FC(F)(F)c1cccc(NNC=C2CC2(F)F)[nH+]1 ZINC000834959740 634294539 /nfs/dbraw/zinc/29/45/39/634294539.db2.gz ZQLAHRKXCNLTOX-LURJTMIESA-N 1 1 265.185 3.153 20 30 CGEDMO C=CCNN=C1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]12 ZINC000834977674 634301315 /nfs/dbraw/zinc/30/13/15/634301315.db2.gz PZDRGLYDBDEXPJ-AEFFLSMTSA-N 1 1 283.419 3.193 20 30 CGEDMO C#CCON=C1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]12 ZINC000834980120 634303045 /nfs/dbraw/zinc/30/30/45/634303045.db2.gz VOACPDZKJRRWMX-FUHWJXTLSA-N 1 1 282.387 3.067 20 30 CGEDMO CCCCCCCNC(=O)[C@H]([NH3+])c1ccc(F)cc1F ZINC000876989305 634945222 /nfs/dbraw/zinc/94/52/22/634945222.db2.gz XVPDAFDUAYNQNU-CQSZACIVSA-N 1 1 284.350 3.051 20 30 CGEDMO Cc1ccncc1[C@@H](C)[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877135790 634997609 /nfs/dbraw/zinc/99/76/09/634997609.db2.gz NFOQEFRIAWEJEL-LLVKDONJSA-N 1 1 286.766 3.161 20 30 CGEDMO Cc1cc(F)cc2c1C[N@@H+](C[C@@H](C)CCC#N)CC2 ZINC000877499108 635062045 /nfs/dbraw/zinc/06/20/45/635062045.db2.gz CZWMVXNAHBGFAF-LBPRGKRZSA-N 1 1 260.356 3.432 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000877552806 635086436 /nfs/dbraw/zinc/08/64/36/635086436.db2.gz XEIIJXADRBXRGO-DGCLKSJQSA-N 1 1 292.345 3.358 20 30 CGEDMO N#Cc1cnc(Cl)c(C[N@@H+]2C[C@H](C3CC3)[C@H]2C2CC2)c1 ZINC000877568048 635094987 /nfs/dbraw/zinc/09/49/87/635094987.db2.gz FORCBNMHFQARJG-HUUCEWRRSA-N 1 1 287.794 3.227 20 30 CGEDMO N#Cc1cnc(Cl)c(C[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)c1 ZINC000877568048 635094992 /nfs/dbraw/zinc/09/49/92/635094992.db2.gz FORCBNMHFQARJG-HUUCEWRRSA-N 1 1 287.794 3.227 20 30 CGEDMO C#CCCCCCC[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000877604359 635107622 /nfs/dbraw/zinc/10/76/22/635107622.db2.gz ZWSBPODTPACARS-DLBZAZTESA-N 1 1 263.425 3.461 20 30 CGEDMO C#CCCCCCC[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000877610741 635111763 /nfs/dbraw/zinc/11/17/63/635111763.db2.gz XYLNEUSNWINIFO-SFHVURJKSA-N 1 1 284.403 3.107 20 30 CGEDMO C[C@H](CCC#N)C[NH+]1CC(O)(c2cccc3ccccc32)C1 ZINC000877617559 635114875 /nfs/dbraw/zinc/11/48/75/635114875.db2.gz QYZBAWLHEQRHJA-OAHLLOKOSA-N 1 1 294.398 3.283 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cc(OC)cnc2F)C1 ZINC000877625092 635118838 /nfs/dbraw/zinc/11/88/38/635118838.db2.gz VDSDHSTUWADWLM-GFCCVEGCSA-N 1 1 264.344 3.017 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000877650537 635131171 /nfs/dbraw/zinc/13/11/71/635131171.db2.gz KGZKCICYSGVXFR-CQSZACIVSA-N 1 1 250.345 3.080 20 30 CGEDMO CCc1ccc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)cc1 ZINC000841492810 635186256 /nfs/dbraw/zinc/18/62/56/635186256.db2.gz PPRNNDPKQCIGKC-IBGZPJMESA-N 1 1 294.398 3.286 20 30 CGEDMO COc1ccc(N[NH2+]C(C)=C2CC2(F)F)c([N+](=O)[O-])c1 ZINC000841630553 635201490 /nfs/dbraw/zinc/20/14/90/635201490.db2.gz RBVSXSHENHIERR-VIFPVBQESA-N 1 1 285.250 3.046 20 30 CGEDMO CC1(C)CCc2onc(C[NH2+][C@@H]3CCC[C@H](C#N)C3)c2C1 ZINC000877810336 635213575 /nfs/dbraw/zinc/21/35/75/635213575.db2.gz ROVBHAXSIQTVJR-QWHCGFSZSA-N 1 1 287.407 3.361 20 30 CGEDMO C#CCCCCC[N@H+](C)Cc1ccc(O)c(OC)c1 ZINC000878056990 635340683 /nfs/dbraw/zinc/34/06/83/635340683.db2.gz HUHPIOXCMIVZGN-UHFFFAOYSA-N 1 1 261.365 3.026 20 30 CGEDMO C#CCCCCC[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000878189213 635404153 /nfs/dbraw/zinc/40/41/53/635404153.db2.gz ZJOSPQMLPUMSPO-OAHLLOKOSA-N 1 1 263.406 3.315 20 30 CGEDMO C#CCCCCC[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000878189213 635404157 /nfs/dbraw/zinc/40/41/57/635404157.db2.gz ZJOSPQMLPUMSPO-OAHLLOKOSA-N 1 1 263.406 3.315 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cn2ccc(-c3cccs3)n2)C1 ZINC000842629850 635421010 /nfs/dbraw/zinc/42/10/10/635421010.db2.gz SJBIISCVPFJHED-CQSZACIVSA-N 1 1 285.416 3.304 20 30 CGEDMO C#CCCCCC[N@H+](C)Cc1c(C)nc2sccn12 ZINC000878270553 635439280 /nfs/dbraw/zinc/43/92/80/635439280.db2.gz XHVGOMSJTBKFNX-UHFFFAOYSA-N 1 1 275.421 3.330 20 30 CGEDMO C#CCCCCC[N@@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000878373279 635478760 /nfs/dbraw/zinc/47/87/60/635478760.db2.gz LJARLEGCNBRRNM-UHFFFAOYSA-N 1 1 290.373 3.139 20 30 CGEDMO CC[C@@H](C(=O)Nc1ccc(C)cc1)[NH+]1CCC(C)(C#N)CC1 ZINC000878389298 635484425 /nfs/dbraw/zinc/48/44/25/635484425.db2.gz CMEJFAFOTPHWGN-INIZCTEOSA-N 1 1 299.418 3.338 20 30 CGEDMO C#CCCCCC[N@@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000878548336 635552489 /nfs/dbraw/zinc/55/24/89/635552489.db2.gz WAEHMQFNZAFPNP-KRWDZBQOSA-N 1 1 298.430 3.165 20 30 CGEDMO C#CCCCCC[N@H+](C)Cc1nc(-c2cccs2)no1 ZINC000878598636 635564959 /nfs/dbraw/zinc/56/49/59/635564959.db2.gz KOAZFLFOWGFEKS-UHFFFAOYSA-N 1 1 289.404 3.424 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878698706 635607690 /nfs/dbraw/zinc/60/76/90/635607690.db2.gz HPRKLTYEMPVXAF-GXFFZTMASA-N 1 1 287.190 3.309 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2oc(-c3ccccc3)nc2C)C1 ZINC000878843933 635641179 /nfs/dbraw/zinc/64/11/79/635641179.db2.gz MXDHVOOOJZGBIS-HNNXBMFYSA-N 1 1 280.371 3.495 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2noc3c2CC(C)(C)CC3)C1 ZINC000878844095 635641253 /nfs/dbraw/zinc/64/12/53/635641253.db2.gz QOLIYIUVFRUKGK-CYBMUJFWSA-N 1 1 272.392 3.035 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2noc3c2CC(C)(C)CC3)C1 ZINC000878844095 635641255 /nfs/dbraw/zinc/64/12/55/635641255.db2.gz QOLIYIUVFRUKGK-CYBMUJFWSA-N 1 1 272.392 3.035 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2C)C1 ZINC000843423263 635667161 /nfs/dbraw/zinc/66/71/61/635667161.db2.gz BJOMCESHPJVWBN-KRWDZBQOSA-N 1 1 293.414 3.416 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000843424137 635667793 /nfs/dbraw/zinc/66/77/93/635667793.db2.gz OYCFWCQSAJGESJ-JKSUJKDBSA-N 1 1 269.388 3.288 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cccc(OC)c2F)C1 ZINC000843424302 635668268 /nfs/dbraw/zinc/66/82/68/635668268.db2.gz YKWVHCHRJNQDKV-CYBMUJFWSA-N 1 1 261.340 3.070 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000843424136 635668715 /nfs/dbraw/zinc/66/87/15/635668715.db2.gz OYCFWCQSAJGESJ-HZPDHXFCSA-N 1 1 269.388 3.288 20 30 CGEDMO C[C@@]1(Cc2ccc(F)c(F)c2)CCC[N@@H+]1CCC#N ZINC000879452402 635790343 /nfs/dbraw/zinc/79/03/43/635790343.db2.gz PVBAUJBCPIOSGR-HNNXBMFYSA-N 1 1 264.319 3.275 20 30 CGEDMO C[C@@]1(Cc2ccc(F)c(F)c2)CCC[N@H+]1CCC#N ZINC000879452402 635790353 /nfs/dbraw/zinc/79/03/53/635790353.db2.gz PVBAUJBCPIOSGR-HNNXBMFYSA-N 1 1 264.319 3.275 20 30 CGEDMO C=CCCc1ccccc1NC(=O)NC[C@@H]1CC[N@@H+]1CC ZINC000879495159 635797904 /nfs/dbraw/zinc/79/79/04/635797904.db2.gz CAZLMKDPSVYPSD-HNNXBMFYSA-N 1 1 287.407 3.021 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc(OC(C)C)ccn2)C1 ZINC000844348468 635876073 /nfs/dbraw/zinc/87/60/73/635876073.db2.gz ZEPXABINFXKCGV-OAHLLOKOSA-N 1 1 272.392 3.104 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CCC23CCCC3)cc1 ZINC000844358630 635880108 /nfs/dbraw/zinc/88/01/08/635880108.db2.gz KMMGUBIAKGPWNS-UHFFFAOYSA-N 1 1 256.349 3.107 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+](C)[C@@H](C)CSc1ccccc1 ZINC000844362034 635881090 /nfs/dbraw/zinc/88/10/90/635881090.db2.gz WVVPVXIDLLGDGU-KBPBESRZSA-N 1 1 278.421 3.028 20 30 CGEDMO C[N@H+](Cc1ccc(CF)cc1)C[C@H](O)c1cccc(C#N)c1 ZINC000844366889 635881257 /nfs/dbraw/zinc/88/12/57/635881257.db2.gz PEALJKJIXCZDQR-SFHVURJKSA-N 1 1 298.361 3.193 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000844364228 635881309 /nfs/dbraw/zinc/88/13/09/635881309.db2.gz QDYHVTQHNMCAOC-CQSZACIVSA-N 1 1 296.370 3.233 20 30 CGEDMO CC(C)(O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000879963780 635889699 /nfs/dbraw/zinc/88/96/99/635889699.db2.gz ORIPHOWIWJOYHA-CQSZACIVSA-N 1 1 292.810 3.195 20 30 CGEDMO CC(C)(O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000879963780 635889702 /nfs/dbraw/zinc/88/97/02/635889702.db2.gz ORIPHOWIWJOYHA-CQSZACIVSA-N 1 1 292.810 3.195 20 30 CGEDMO FC1(F)C[C@@]12CCC[N@@H+](CC#Cc1ccccc1)C2 ZINC000844442126 635903589 /nfs/dbraw/zinc/90/35/89/635903589.db2.gz VSEYUDPWWAYDQM-OAHLLOKOSA-N 1 1 261.315 3.159 20 30 CGEDMO C[C@H](CCC#N)[NH+]1CCN([C@@H](C)c2ccccc2)CC1 ZINC000880251062 635956267 /nfs/dbraw/zinc/95/62/67/635956267.db2.gz PQXPEBIXXVSYLD-CVEARBPZSA-N 1 1 271.408 3.057 20 30 CGEDMO C#Cc1ccc(C[N@H+](Cc2cnn(CC)c2)C(C)C)cc1 ZINC000846054759 636138952 /nfs/dbraw/zinc/13/89/52/636138952.db2.gz FRWVOWARZQJUKT-UHFFFAOYSA-N 1 1 281.403 3.295 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(OCc2ccccc2)nc1 ZINC000846878703 636268966 /nfs/dbraw/zinc/26/89/66/636268966.db2.gz KHLLKYLKJOSUJR-HNNXBMFYSA-N 1 1 280.371 3.114 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(OCc2ccccc2)nc1 ZINC000846878703 636268975 /nfs/dbraw/zinc/26/89/75/636268975.db2.gz KHLLKYLKJOSUJR-HNNXBMFYSA-N 1 1 280.371 3.114 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cscc2Br)C1 ZINC000847019975 636312498 /nfs/dbraw/zinc/31/24/98/636312498.db2.gz UDZHYOBOYWCXKT-JTQLQIEISA-N 1 1 284.222 3.356 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cscc2Br)C1 ZINC000847019975 636312500 /nfs/dbraw/zinc/31/25/00/636312500.db2.gz UDZHYOBOYWCXKT-JTQLQIEISA-N 1 1 284.222 3.356 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cnc3ccc(C)cc3c2)C1 ZINC000847019453 636313023 /nfs/dbraw/zinc/31/30/23/636313023.db2.gz QMQGIJVWEQYVGH-OAHLLOKOSA-N 1 1 264.372 3.388 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000847021805 636314239 /nfs/dbraw/zinc/31/42/39/636314239.db2.gz PPTGEHYWDNNPTM-IAQYHMDHSA-N 1 1 298.213 3.372 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(F)c(C)c3)no2)C1 ZINC000847023199 636315447 /nfs/dbraw/zinc/31/54/47/636315447.db2.gz BJCJUBKYJBRDBX-ZDUSSCGKSA-N 1 1 299.349 3.029 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2nc(-c3ccc(F)c(C)c3)no2)C1 ZINC000847023199 636315449 /nfs/dbraw/zinc/31/54/49/636315449.db2.gz BJCJUBKYJBRDBX-ZDUSSCGKSA-N 1 1 299.349 3.029 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(Br)s2)C1 ZINC000847025613 636317693 /nfs/dbraw/zinc/31/76/93/636317693.db2.gz WHGJTUIHGFBDTA-SNVBAGLBSA-N 1 1 284.222 3.356 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(Br)s2)C1 ZINC000847025613 636317697 /nfs/dbraw/zinc/31/76/97/636317697.db2.gz WHGJTUIHGFBDTA-SNVBAGLBSA-N 1 1 284.222 3.356 20 30 CGEDMO C=C(C)C[N@@H+](CC)C[C@@H](O)c1ccccc1Br ZINC000131310893 636617045 /nfs/dbraw/zinc/61/70/45/636617045.db2.gz OGUNSRKABZGDIZ-CQSZACIVSA-N 1 1 298.224 3.381 20 30 CGEDMO C[C@@H](c1noc([C@@H]([NH3+])CCCCC#N)n1)C(C)(C)C ZINC000848623122 636621942 /nfs/dbraw/zinc/62/19/42/636621942.db2.gz FJWMROAQFGOTSQ-QWRGUYRKSA-N 1 1 264.373 3.303 20 30 CGEDMO Cc1cc(-c2noc([C@@H]([NH3+])CCCCC#N)n2)c(C)o1 ZINC000848627788 636623265 /nfs/dbraw/zinc/62/32/65/636623265.db2.gz LEXGPRGYJSTMTR-LBPRGKRZSA-N 1 1 274.324 3.030 20 30 CGEDMO C=CCCCCC[N@H+](C)Cn1cc(Br)cn1 ZINC000131384119 636647105 /nfs/dbraw/zinc/64/71/05/636647105.db2.gz ZURJLNPJTOVDKV-UHFFFAOYSA-N 1 1 286.217 3.281 20 30 CGEDMO C=CCCCOC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000848775150 636656461 /nfs/dbraw/zinc/65/64/61/636656461.db2.gz WSNIIIRUXYPIEO-MRXNPFEDSA-N 1 1 273.376 3.018 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc3cc(OC)ccc3o2)C1 ZINC000848923354 636693670 /nfs/dbraw/zinc/69/36/70/636693670.db2.gz CDCQLQRLJKPPTB-ZDUSSCGKSA-N 1 1 269.344 3.287 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2cccc(C)c2)C1 ZINC000848923548 636694093 /nfs/dbraw/zinc/69/40/93/636694093.db2.gz GLSMJLCUIVNZEJ-OAHLLOKOSA-N 1 1 279.387 3.230 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000848923557 636694540 /nfs/dbraw/zinc/69/45/40/636694540.db2.gz GNAGPOGJQPBELA-ZDUSSCGKSA-N 1 1 279.330 3.176 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000848924087 636695053 /nfs/dbraw/zinc/69/50/53/636695053.db2.gz NHSYLKIXEWHZOD-HUUCEWRRSA-N 1 1 257.377 3.144 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc3cccc(OC)c3o2)C1 ZINC000848924173 636695560 /nfs/dbraw/zinc/69/55/60/636695560.db2.gz WJCALNHIWUWFIG-ZDUSSCGKSA-N 1 1 269.344 3.287 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2conc2Cc2ccccc2)C1 ZINC000848924311 636695668 /nfs/dbraw/zinc/69/56/68/636695668.db2.gz PQLNURCOGPOYAV-OAHLLOKOSA-N 1 1 280.371 3.111 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000848923760 636695774 /nfs/dbraw/zinc/69/57/74/636695774.db2.gz PMPTVRYIHOHAGZ-ZDUSSCGKSA-N 1 1 283.350 3.061 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1ccccc1OC(F)(F)F ZINC000134792631 637038042 /nfs/dbraw/zinc/03/80/42/637038042.db2.gz KVDHGAQGHHNORO-UHFFFAOYSA-N 1 1 265.662 3.427 20 30 CGEDMO CSc1ccc(CNc2cc(CO)cc(C)[nH+]2)cc1C#N ZINC000884643452 637106323 /nfs/dbraw/zinc/10/63/23/637106323.db2.gz IFKOBZJKJKLHLK-UHFFFAOYSA-N 1 1 299.399 3.088 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCC2(CCC2)CO1 ZINC000885938390 637321416 /nfs/dbraw/zinc/32/14/16/637321416.db2.gz YWGHJKMKRYBQPK-QGZVFWFLSA-N 1 1 284.403 3.339 20 30 CGEDMO Cc1ccc([C@@H](C)[N@@H+](C)C[C@@H](O)CC2(C#N)CCC2)cc1 ZINC000885955932 637328617 /nfs/dbraw/zinc/32/86/17/637328617.db2.gz CUZIXYWLVCJXLP-WBVHZDCISA-N 1 1 286.419 3.433 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)C[C@H]1C[C@]12CCOC2 ZINC000886030694 637374874 /nfs/dbraw/zinc/37/48/74/637374874.db2.gz RUBVKNJSBRXOPE-CVEARBPZSA-N 1 1 264.413 3.065 20 30 CGEDMO CC(C)C[C@H]1CCCC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886075195 637401279 /nfs/dbraw/zinc/40/12/79/637401279.db2.gz DCMWFTFUTQNSJQ-CVEARBPZSA-N 1 1 278.440 3.332 20 30 CGEDMO CC(C)C[C@@H]1CCCC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886075197 637401748 /nfs/dbraw/zinc/40/17/48/637401748.db2.gz DCMWFTFUTQNSJQ-HOTGVXAUSA-N 1 1 278.440 3.332 20 30 CGEDMO Cc1cccc([C@@H]2CC[N@@H+](C[C@@H](O)CC3(C#N)CCC3)C2)c1 ZINC000886125105 637425961 /nfs/dbraw/zinc/42/59/61/637425961.db2.gz JERWOPKRHNHQAI-MSOLQXFVSA-N 1 1 298.430 3.229 20 30 CGEDMO C[C@@H](C1CCCCC1)[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000886174580 637448851 /nfs/dbraw/zinc/44/88/51/637448851.db2.gz DNNDCCSDXAHSBT-HOCLYGCPSA-N 1 1 278.440 3.332 20 30 CGEDMO C[N@@H+](C[C@H](O)CC1(C#N)CCC1)C(C)(C)c1ccccc1 ZINC000886193708 637454145 /nfs/dbraw/zinc/45/41/45/637454145.db2.gz ATARTOVSVGUIFQ-MRXNPFEDSA-N 1 1 286.419 3.298 20 30 CGEDMO CC(C)C[C@]1(C)CCC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886223387 637464774 /nfs/dbraw/zinc/46/47/74/637464774.db2.gz KPNWVFMGQZCRJY-HOTGVXAUSA-N 1 1 278.440 3.332 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)[C@@H]1CC[C@H](OC)C1 ZINC000851738024 637485274 /nfs/dbraw/zinc/48/52/74/637485274.db2.gz UOXNEFAWDJGCEN-SJORKVTESA-N 1 1 259.393 3.285 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2C(C)(C)C)C1 ZINC000886353745 637509351 /nfs/dbraw/zinc/50/93/51/637509351.db2.gz ONFKETKJEIGFKQ-OAHLLOKOSA-N 1 1 298.430 3.268 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000886356212 637510765 /nfs/dbraw/zinc/51/07/65/637510765.db2.gz WDASWXZMZMFQBV-CYBMUJFWSA-N 1 1 284.334 3.326 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000886363746 637514561 /nfs/dbraw/zinc/51/45/61/637514561.db2.gz BFQBOZKHIVDCTC-LBPRGKRZSA-N 1 1 258.752 3.057 20 30 CGEDMO C#C[C@](C)(CC)[NH2+][C@H](C)c1nnc(-c2cccs2)o1 ZINC000852098914 637593055 /nfs/dbraw/zinc/59/30/55/637593055.db2.gz ZDWCHGQSZCRXAT-QMTHXVAHSA-N 1 1 275.377 3.251 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+][C@@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC000852100072 637593808 /nfs/dbraw/zinc/59/38/08/637593808.db2.gz SUZINYADWSPPAR-GUYCJALGSA-N 1 1 283.375 3.498 20 30 CGEDMO C#C[C@](C)(CC)[NH2+]Cc1nc(Cl)ccc1Cl ZINC000852102092 637595650 /nfs/dbraw/zinc/59/56/50/637595650.db2.gz VPLVZYGSXMFLGK-GFCCVEGCSA-N 1 1 257.164 3.280 20 30 CGEDMO N#CC1(C[NH2+][C@H]2CCc3cccnc32)CCCCC1 ZINC000886637944 637622854 /nfs/dbraw/zinc/62/28/54/637622854.db2.gz IRQZSYJDYLITIH-AWEZNQCLSA-N 1 1 255.365 3.133 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000852319384 637632743 /nfs/dbraw/zinc/63/27/43/637632743.db2.gz LORUZYFCMCNYQI-IAQYHMDHSA-N 1 1 296.773 3.138 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+](Cc1ccsc1)C(C)(C)C ZINC000852312151 637633594 /nfs/dbraw/zinc/63/35/94/637633594.db2.gz WSBFTUBGISUSSB-LBPRGKRZSA-N 1 1 266.410 3.277 20 30 CGEDMO CC/C=C\CC[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852332306 637636405 /nfs/dbraw/zinc/63/64/05/637636405.db2.gz QQBRUKUEXVGOTE-LIMHQNJXSA-N 1 1 269.392 3.295 20 30 CGEDMO CC/C=C\CC[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852332306 637636412 /nfs/dbraw/zinc/63/64/12/637636412.db2.gz QQBRUKUEXVGOTE-LIMHQNJXSA-N 1 1 269.392 3.295 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)nc2)C1 ZINC000852410138 637647279 /nfs/dbraw/zinc/64/72/79/637647279.db2.gz IUCLCFMBYCGYEW-OAHLLOKOSA-N 1 1 282.391 3.055 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC000852410200 637649243 /nfs/dbraw/zinc/64/92/43/637649243.db2.gz JPSKUWNPYSUUEW-CZUORRHYSA-N 1 1 263.356 3.147 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](C[C@@H](O)c2ccccc2F)C1 ZINC000852410545 637649716 /nfs/dbraw/zinc/64/97/16/637649716.db2.gz NFDFGMWCLOMNJU-XJKSGUPXSA-N 1 1 263.356 3.147 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@H](Cc2nc(C)cs2)C1 ZINC000886692147 637655515 /nfs/dbraw/zinc/65/55/15/637655515.db2.gz SRQIHILPJQVAHN-CQSZACIVSA-N 1 1 262.422 3.119 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000852497619 637663866 /nfs/dbraw/zinc/66/38/66/637663866.db2.gz VYUKAAMZUAUJNH-HZPDHXFCSA-N 1 1 280.456 3.338 20 30 CGEDMO C=CC[N@H+](CC(=O)OCc1ccccc1)C(C)(C)C ZINC000852554445 637678884 /nfs/dbraw/zinc/67/88/84/637678884.db2.gz MYOQZGVRDKRBPB-UHFFFAOYSA-N 1 1 261.365 3.016 20 30 CGEDMO C=CC[N@@H+](CC(=O)OCc1ccccc1)C(C)(C)C ZINC000852554445 637678889 /nfs/dbraw/zinc/67/88/89/637678889.db2.gz MYOQZGVRDKRBPB-UHFFFAOYSA-N 1 1 261.365 3.016 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)OCc1ccccc1 ZINC000852686388 637695588 /nfs/dbraw/zinc/69/55/88/637695588.db2.gz SSWQSWBRAPJRFF-CALCHBBNSA-N 1 1 285.387 3.303 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)cc1C#N ZINC000852686144 637695757 /nfs/dbraw/zinc/69/57/57/637695757.db2.gz ORDYJNWSWIFRFH-IYBDPMFKSA-N 1 1 256.324 3.380 20 30 CGEDMO CCCCC[C@H]1CCCC[N@H+]1CCO[C@@H](C)C#N ZINC000852710904 637698124 /nfs/dbraw/zinc/69/81/24/637698124.db2.gz ATDYHWFYIDSRNG-GJZGRUSLSA-N 1 1 252.402 3.350 20 30 CGEDMO Clc1ccc(C#CC[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000886815941 637703023 /nfs/dbraw/zinc/70/30/23/637703023.db2.gz LUAULWLQTLZOPS-RDJZCZTQSA-N 1 1 289.806 3.192 20 30 CGEDMO C#CCC[N@H+](CC/C=C\c1ccccc1)CCOC ZINC000852749142 637706866 /nfs/dbraw/zinc/70/68/66/637706866.db2.gz QCHYIGQILJJMJB-WQLSENKSSA-N 1 1 257.377 3.062 20 30 CGEDMO CC1(C)C(=[NH+]n2cc(Br)cn2)[C@H]2CCC[C@H]21 ZINC000853324856 637810194 /nfs/dbraw/zinc/81/01/94/637810194.db2.gz OQXKINBJBHCEBL-VHSXEESVSA-N 1 1 282.185 3.306 20 30 CGEDMO C#Cc1cccnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000853331979 637813005 /nfs/dbraw/zinc/81/30/05/637813005.db2.gz BMFKTPZDMXVZFL-SJORKVTESA-N 1 1 297.446 3.154 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cn2c(=O)sc3c2CCCC3)C1 ZINC000853537474 637865449 /nfs/dbraw/zinc/86/54/49/637865449.db2.gz YNFJNUXWINVIDS-ZDUSSCGKSA-N 1 1 292.448 3.034 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cn2c(=O)sc3c2CCCC3)C1 ZINC000853537474 637865452 /nfs/dbraw/zinc/86/54/52/637865452.db2.gz YNFJNUXWINVIDS-ZDUSSCGKSA-N 1 1 292.448 3.034 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CN2C(=O)[C@@H](C)[C@@H]2c2ccccc2)C1 ZINC000853537421 637865677 /nfs/dbraw/zinc/86/56/77/637865677.db2.gz XRCSSZVOSSALEM-LZLYRXPVSA-N 1 1 298.430 3.452 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1C(=O)C[C@H]1c1ccccc1 ZINC000853598138 637872055 /nfs/dbraw/zinc/87/20/55/637872055.db2.gz LVFSFYQVYDZFID-BBWFWOEESA-N 1 1 282.387 3.101 20 30 CGEDMO C[C@@H]1C[C@H]1C(N)=[NH+]OCc1ccc(C#N)cc1C(F)(F)F ZINC000853730311 637903397 /nfs/dbraw/zinc/90/33/97/637903397.db2.gz DZDAVQGIPOSYKV-LDYMZIIASA-N 1 1 297.280 3.232 20 30 CGEDMO C=C[C@@H](C)[NH2+][C@@H](C)c1nc(Br)ccc1F ZINC000925263168 638483951 /nfs/dbraw/zinc/48/39/51/638483951.db2.gz PUCJEGMTJKYAMX-SFYZADRCSA-N 1 1 273.149 3.208 20 30 CGEDMO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccnn1C1CCC1 ZINC000925475940 638508581 /nfs/dbraw/zinc/50/85/81/638508581.db2.gz NZGGOYXUDJYMBW-LBPRGKRZSA-N 1 1 298.365 3.470 20 30 CGEDMO C#CC[C@@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1ccccc1 ZINC000857859742 638581528 /nfs/dbraw/zinc/58/15/28/638581528.db2.gz WFHDALTWGZALOO-HZPDHXFCSA-N 1 1 265.360 3.141 20 30 CGEDMO C=CCC[C@H](C1CC1)[N@H+]1CCOc2ccc(N)cc2C1 ZINC000925753305 638597295 /nfs/dbraw/zinc/59/72/95/638597295.db2.gz ONJDFHIVTHPHOT-MRXNPFEDSA-N 1 1 272.392 3.208 20 30 CGEDMO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000926634738 638793017 /nfs/dbraw/zinc/79/30/17/638793017.db2.gz ICSSLGFGMYGQLY-JQHSSLGASA-N 1 1 299.462 3.250 20 30 CGEDMO CCCCC[N@H+](Cc1ccc(F)cc1)C[C@H](O)CC#N ZINC000929144819 638902585 /nfs/dbraw/zinc/90/25/85/638902585.db2.gz QVODSXZNHJTDQS-MRXNPFEDSA-N 1 1 278.371 3.092 20 30 CGEDMO C=CC[N@@H+](Cc1[nH]c(C)nc1C)Cc1ccccc1 ZINC000929162848 638903870 /nfs/dbraw/zinc/90/38/70/638903870.db2.gz TVZLSZADUXDBCQ-UHFFFAOYSA-N 1 1 255.365 3.215 20 30 CGEDMO C=CC[N@H+](Cc1[nH]c(C)nc1C)Cc1ccccc1 ZINC000929162848 638903873 /nfs/dbraw/zinc/90/38/73/638903873.db2.gz TVZLSZADUXDBCQ-UHFFFAOYSA-N 1 1 255.365 3.215 20 30 CGEDMO C[N@@H+](CCOc1ccccc1)CC1CCC(C#N)CC1 ZINC000929207689 638908290 /nfs/dbraw/zinc/90/82/90/638908290.db2.gz UMEHODMFZZWDFG-UHFFFAOYSA-N 1 1 272.392 3.327 20 30 CGEDMO Cc1noc(C)c1C[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000929253535 638911986 /nfs/dbraw/zinc/91/19/86/638911986.db2.gz HIZYJJOHTBVOMG-UHFFFAOYSA-N 1 1 289.766 3.449 20 30 CGEDMO Cc1noc(C)c1C[N@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000929253535 638911989 /nfs/dbraw/zinc/91/19/89/638911989.db2.gz HIZYJJOHTBVOMG-UHFFFAOYSA-N 1 1 289.766 3.449 20 30 CGEDMO N#CC1(CCCC[N@@H+]2CCC[C@H](N3CCCC3)C2)CCC1 ZINC000929284875 638915167 /nfs/dbraw/zinc/91/51/67/638915167.db2.gz YIUOIPCTMNVAIK-KRWDZBQOSA-N 1 1 289.467 3.411 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCC[C@H](N3CCCC3)C2)CCC1 ZINC000929284875 638915170 /nfs/dbraw/zinc/91/51/70/638915170.db2.gz YIUOIPCTMNVAIK-KRWDZBQOSA-N 1 1 289.467 3.411 20 30 CGEDMO C=CCN(Cc1[nH]c(C)[nH+]c1C)Cc1ccc(OC)cc1 ZINC000929316103 638918187 /nfs/dbraw/zinc/91/81/87/638918187.db2.gz DUCQLUZKANSYBB-UHFFFAOYSA-N 1 1 285.391 3.223 20 30 CGEDMO CC[N@@H+](Cc1cncc(C#N)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000929332807 638919639 /nfs/dbraw/zinc/91/96/39/638919639.db2.gz KZYPJZPTUWLEOO-AWEZNQCLSA-N 1 1 290.370 3.408 20 30 CGEDMO Cc1nc(C)c(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)[nH]1 ZINC000929366932 638921368 /nfs/dbraw/zinc/92/13/68/638921368.db2.gz GZDOYOOEJKNQPX-UHFFFAOYSA-N 1 1 280.375 3.063 20 30 CGEDMO Cc1nc(C)c(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)[nH]1 ZINC000929366932 638921370 /nfs/dbraw/zinc/92/13/70/638921370.db2.gz GZDOYOOEJKNQPX-UHFFFAOYSA-N 1 1 280.375 3.063 20 30 CGEDMO CC[N@@H+](CCCCC1(C#N)CCC1)C[C@@H]1CCCO1 ZINC000929417470 638924303 /nfs/dbraw/zinc/92/43/03/638924303.db2.gz QEEUZNYBGKSMTE-HNNXBMFYSA-N 1 1 264.413 3.351 20 30 CGEDMO CCOCC[N@@H+](CC)Cc1cc(Cl)cc(C#N)c1 ZINC000929601644 638933418 /nfs/dbraw/zinc/93/34/18/638933418.db2.gz QVZUJPOFKVFBRH-UHFFFAOYSA-N 1 1 266.772 3.070 20 30 CGEDMO CCn1cc(C[N@H+](C)Cc2cc(Cl)cc(C#N)c2)cn1 ZINC000929645879 638937073 /nfs/dbraw/zinc/93/70/73/638937073.db2.gz LVIJSHNRDOUFFM-UHFFFAOYSA-N 1 1 288.782 3.060 20 30 CGEDMO CCn1cc(C[N@@H+](C)Cc2cc(Cl)cc(C#N)c2)cn1 ZINC000929645879 638937074 /nfs/dbraw/zinc/93/70/74/638937074.db2.gz LVIJSHNRDOUFFM-UHFFFAOYSA-N 1 1 288.782 3.060 20 30 CGEDMO Cc1[nH]c(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(C)[nH+]1 ZINC000929756334 638947651 /nfs/dbraw/zinc/94/76/51/638947651.db2.gz DWFKYUZFDIQDRC-SJLPKXTDSA-N 1 1 294.402 3.298 20 30 CGEDMO C[C@H](O)C[C@H]1CCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000930081246 638972737 /nfs/dbraw/zinc/97/27/37/638972737.db2.gz ITSMBHOJPRELIU-LSDHHAIUSA-N 1 1 264.413 3.086 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000930085617 638972962 /nfs/dbraw/zinc/97/29/62/638972962.db2.gz BIXYAQBQHRPWFX-GFCCVEGCSA-N 1 1 267.376 3.299 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000930085617 638972964 /nfs/dbraw/zinc/97/29/64/638972964.db2.gz BIXYAQBQHRPWFX-GFCCVEGCSA-N 1 1 267.376 3.299 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@H](C(F)F)C2)c1 ZINC000930125833 638976383 /nfs/dbraw/zinc/97/63/83/638976383.db2.gz FWAPYLVDULBCJX-NSHDSACASA-N 1 1 270.710 3.299 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](C(F)F)C2)c1 ZINC000930125833 638976384 /nfs/dbraw/zinc/97/63/84/638976384.db2.gz FWAPYLVDULBCJX-NSHDSACASA-N 1 1 270.710 3.299 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@@H]1CCC2(COC2)O1 ZINC000930274186 638987899 /nfs/dbraw/zinc/98/78/99/638987899.db2.gz VNFUSWSALLGCGP-KRWDZBQOSA-N 1 1 287.403 3.013 20 30 CGEDMO C#CCCCCCC[N@H+](C)[C@@H](CC(N)=O)c1ccccc1 ZINC000930289663 638988945 /nfs/dbraw/zinc/98/89/45/638988945.db2.gz CULTZDCWGQLTKV-KRWDZBQOSA-N 1 1 286.419 3.119 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCC[C@H]2[C@@H]2CCCO2)CCC1 ZINC000930365805 638993272 /nfs/dbraw/zinc/99/32/72/638993272.db2.gz RMRVJYWBZPDAHO-HOTGVXAUSA-N 1 1 276.424 3.494 20 30 CGEDMO CCC[C@@]1(CO)CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000930506002 639013727 /nfs/dbraw/zinc/01/37/27/639013727.db2.gz YUBQWMVUOSNZMX-QGZVFWFLSA-N 1 1 278.440 3.335 20 30 CGEDMO CC(C)[C@H]1CN(C)CC[N@H+]1CCCCC1(C#N)CCC1 ZINC000930573713 639028859 /nfs/dbraw/zinc/02/88/59/639028859.db2.gz AIWVCFBQTBWFFU-MRXNPFEDSA-N 1 1 277.456 3.123 20 30 CGEDMO C#CC[C@@H](CCOC)Nc1[nH+]ccc2cc(F)ccc21 ZINC000858858901 639031213 /nfs/dbraw/zinc/03/12/13/639031213.db2.gz VADZERZBERXZRB-AWEZNQCLSA-N 1 1 272.323 3.214 20 30 CGEDMO COC[C@H]1CCCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000930665761 639049802 /nfs/dbraw/zinc/04/98/02/639049802.db2.gz QPYPOPQZENSYFG-OAHLLOKOSA-N 1 1 264.413 3.351 20 30 CGEDMO N#CC1(CCCC[N@@H+]2CCCC[C@H]2C2(O)CC2)CCC1 ZINC000930691510 639053666 /nfs/dbraw/zinc/05/36/66/639053666.db2.gz BMZFBOUDWRQLAP-HNNXBMFYSA-N 1 1 276.424 3.230 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](C2CC(OCc3ccccc3)C2)C1 ZINC000930816508 639071583 /nfs/dbraw/zinc/07/15/83/639071583.db2.gz MMNJWRCFOYCGOE-IVMQYODDSA-N 1 1 283.415 3.470 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000930960823 639091493 /nfs/dbraw/zinc/09/14/93/639091493.db2.gz RJSXQWSSWDHGFR-UHFFFAOYSA-N 1 1 271.408 3.093 20 30 CGEDMO C[C@@]12COC[C@]1(C)C[N@H+](CCCCC1(C#N)CCC1)C2 ZINC000930969987 639092416 /nfs/dbraw/zinc/09/24/16/639092416.db2.gz DZZJKJDSGLTMAT-IYBDPMFKSA-N 1 1 276.424 3.209 20 30 CGEDMO CC[C@H](c1ccccc1)[N@@H+](C[C@H](O)CC#N)C(C)C ZINC000931064710 639105542 /nfs/dbraw/zinc/10/55/42/639105542.db2.gz WKNMYBDSZRFFLF-HZPDHXFCSA-N 1 1 260.381 3.123 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000931063812 639106107 /nfs/dbraw/zinc/10/61/07/639106107.db2.gz VRJVAGNNSJRVEN-QNWHQSFQSA-N 1 1 275.314 3.279 20 30 CGEDMO C#CC1(O)CC[NH+]([C@H](C)c2cccc(Cl)c2F)CC1 ZINC000931151550 639118687 /nfs/dbraw/zinc/11/86/87/639118687.db2.gz YCLAZNIHHAZOJQ-LLVKDONJSA-N 1 1 281.758 3.000 20 30 CGEDMO C/C=C/C[C@H]1CCC[N@@H+](Cc2cncc(C#N)c2)C1 ZINC000931337446 639137236 /nfs/dbraw/zinc/13/72/36/639137236.db2.gz JXZQLKFFKJFEQB-HSWBROFVSA-N 1 1 255.365 3.131 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000859415039 639138372 /nfs/dbraw/zinc/13/83/72/639138372.db2.gz LTHRKVNBQLCNNO-OCCSQVGLSA-N 1 1 294.345 3.073 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](C[C@H](O)c2ccc(F)cc2C)C1 ZINC000859444686 639142250 /nfs/dbraw/zinc/14/22/50/639142250.db2.gz WQLHZHQKKLVYRB-CJNGLKHVSA-N 1 1 263.356 3.066 20 30 CGEDMO CC[N@@H+](CCCC(C)(C)C#N)CCNC(=O)OC(C)(C)C ZINC000859530562 639157424 /nfs/dbraw/zinc/15/74/24/639157424.db2.gz STZILZHBQKANPN-UHFFFAOYSA-N 1 1 297.443 3.163 20 30 CGEDMO CN1CC[N@@H+](CCCCC2(C#N)CCC2)Cc2cccnc21 ZINC000931568815 639171937 /nfs/dbraw/zinc/17/19/37/639171937.db2.gz CUNUHQRFCXMLCC-UHFFFAOYSA-N 1 1 298.434 3.198 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC000859805171 639220376 /nfs/dbraw/zinc/22/03/76/639220376.db2.gz LOHHDSSQJUPXMA-XJKSGUPXSA-N 1 1 290.382 3.322 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931913325 639227479 /nfs/dbraw/zinc/22/74/79/639227479.db2.gz MBNSKJASOVLVCW-LLVKDONJSA-N 1 1 278.293 3.293 20 30 CGEDMO CC(C)(C)OC[C@@H]1CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000932171401 639285393 /nfs/dbraw/zinc/28/53/93/639285393.db2.gz KDVCUJLUYNHNAY-HNNXBMFYSA-N 1 1 290.382 3.477 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000932344755 639318182 /nfs/dbraw/zinc/31/81/82/639318182.db2.gz CLYQNRTYDBMEJT-AWEZNQCLSA-N 1 1 272.392 3.099 20 30 CGEDMO CC(C)(C)NC(=O)[C@@H]1CCC[N@H+]1CCCCC(C)(C)C#N ZINC000932435164 639333064 /nfs/dbraw/zinc/33/30/64/639333064.db2.gz RKDYUWUOGJAPAT-AWEZNQCLSA-N 1 1 293.455 3.086 20 30 CGEDMO C=CC[C@H](OC(=O)Cn1c[nH+]cc1C)c1ccccc1 ZINC000860677417 639400516 /nfs/dbraw/zinc/40/05/16/639400516.db2.gz LCSGJOCWSJVWCA-HNNXBMFYSA-N 1 1 270.332 3.052 20 30 CGEDMO C#CC[N@@H+](CCc1cnccn1)[C@H]1CCCc2ccccc21 ZINC000933417353 639448334 /nfs/dbraw/zinc/44/83/34/639448334.db2.gz HACGPXFTMHPOJE-IBGZPJMESA-N 1 1 291.398 3.032 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@@H](Cc2nc(C)no2)C1 ZINC000933566874 639461817 /nfs/dbraw/zinc/46/18/17/639461817.db2.gz ZBTJPXQPUFFWTP-INIZCTEOSA-N 1 1 289.423 3.216 20 30 CGEDMO Cc1cccc(C[N@@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)c1 ZINC000933623658 639471132 /nfs/dbraw/zinc/47/11/32/639471132.db2.gz SKKBGLFTXKLXOY-IBGZPJMESA-N 1 1 292.382 3.440 20 30 CGEDMO Cc1cccc(C[N@H+]2CCO[C@H](c3ccc(C#N)cc3)C2)c1 ZINC000933623658 639471140 /nfs/dbraw/zinc/47/11/40/639471140.db2.gz SKKBGLFTXKLXOY-IBGZPJMESA-N 1 1 292.382 3.440 20 30 CGEDMO C[C@]12C[N@@H+](CC3CCC(C#N)CC3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000933703039 639479179 /nfs/dbraw/zinc/47/91/79/639479179.db2.gz AEASLRXKIHKMFH-IYCYBWODSA-N 1 1 270.420 3.460 20 30 CGEDMO Cc1nc(C)c(C[N@H+](C)Cc2cc(C#N)cs2)s1 ZINC000933777130 639489289 /nfs/dbraw/zinc/48/92/89/639489289.db2.gz FWTCTKPUDGCERI-UHFFFAOYSA-N 1 1 277.418 3.325 20 30 CGEDMO Cc1nc(C)c(C[N@@H+](C)Cc2cc(C#N)cs2)s1 ZINC000933777130 639489296 /nfs/dbraw/zinc/48/92/96/639489296.db2.gz FWTCTKPUDGCERI-UHFFFAOYSA-N 1 1 277.418 3.325 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCCSC[C@@H]1C1CC1 ZINC000933914431 639506238 /nfs/dbraw/zinc/50/62/38/639506238.db2.gz CSEGUYPYLOPEIC-MRXNPFEDSA-N 1 1 290.407 3.415 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1nc(C)c2ccccc2n1 ZINC000934463487 639612578 /nfs/dbraw/zinc/61/25/78/639612578.db2.gz BAADYGPXQMMIMX-CYBMUJFWSA-N 1 1 253.349 3.089 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1nc(C)c2ccccc2n1 ZINC000934463487 639612585 /nfs/dbraw/zinc/61/25/85/639612585.db2.gz BAADYGPXQMMIMX-CYBMUJFWSA-N 1 1 253.349 3.089 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC000934465052 639613511 /nfs/dbraw/zinc/61/35/11/639613511.db2.gz CABAVQSTKBNLQT-DZGCQCFKSA-N 1 1 288.391 3.063 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1ccc(Cl)cc1-n1cncn1 ZINC000934465593 639614372 /nfs/dbraw/zinc/61/43/72/639614372.db2.gz VVVPMRLZDFHQGA-CQSZACIVSA-N 1 1 288.782 3.071 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1C[C@@H](O)c1ccccc1C(F)(F)F ZINC000934471151 639615465 /nfs/dbraw/zinc/61/54/65/639615465.db2.gz RXPJIJMKWSGRCJ-SMDDNHRTSA-N 1 1 285.309 3.389 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1ccc(OC(F)F)c(OC)c1 ZINC000934472336 639615549 /nfs/dbraw/zinc/61/55/49/639615549.db2.gz LVYMJPJRPHZGTC-LBPRGKRZSA-N 1 1 283.318 3.447 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1nccn1Cc1ccccc1 ZINC000934469039 639615584 /nfs/dbraw/zinc/61/55/84/639615584.db2.gz NCSXDVCONKPMCE-INIZCTEOSA-N 1 1 267.376 3.082 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1nccn1Cc1ccccc1 ZINC000934469039 639615592 /nfs/dbraw/zinc/61/55/92/639615592.db2.gz NCSXDVCONKPMCE-INIZCTEOSA-N 1 1 267.376 3.082 20 30 CGEDMO C#C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1Cl ZINC000934511838 639622431 /nfs/dbraw/zinc/62/24/31/639622431.db2.gz VDBPMKXBSCDOOM-CYBMUJFWSA-N 1 1 290.794 3.156 20 30 CGEDMO C=CCCC[N@@H+](CC)Cc1csc(COC)n1 ZINC000934647097 639648888 /nfs/dbraw/zinc/64/88/88/639648888.db2.gz ZNAPQQXVUKTDOX-UHFFFAOYSA-N 1 1 254.399 3.078 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1csc(COC)n1 ZINC000934647097 639648894 /nfs/dbraw/zinc/64/88/94/639648894.db2.gz ZNAPQQXVUKTDOX-UHFFFAOYSA-N 1 1 254.399 3.078 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1cc(C(F)(F)F)nn1C ZINC000934642073 639649001 /nfs/dbraw/zinc/64/90/01/639649001.db2.gz KKXLLZFNVOCSBK-UHFFFAOYSA-N 1 1 275.318 3.227 20 30 CGEDMO C=CCCC[N@H+](CC)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000934644712 639649152 /nfs/dbraw/zinc/64/91/52/639649152.db2.gz HEMJIWCCQXDLCY-UHFFFAOYSA-N 1 1 282.428 3.141 20 30 CGEDMO N#Cc1cc(F)ccc1C[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000934690789 639658677 /nfs/dbraw/zinc/65/86/77/639658677.db2.gz CTNOKBGZOKMTMZ-QGZVFWFLSA-N 1 1 281.334 3.333 20 30 CGEDMO CCOc1ccc(CC[N@@H+](C)CC2(CC#N)CC2)cc1 ZINC000934720033 639666002 /nfs/dbraw/zinc/66/60/02/639666002.db2.gz UWZMWNODFJVXGG-UHFFFAOYSA-N 1 1 272.392 3.253 20 30 CGEDMO CCOc1ccc(CC[N@@H+](C)[C@H](C)CCC#N)cc1 ZINC000934722742 639666619 /nfs/dbraw/zinc/66/66/19/639666619.db2.gz YPZUPGMDDCCSRY-CQSZACIVSA-N 1 1 260.381 3.252 20 30 CGEDMO C#CC[N@H+](C[C@H](O)c1ccc(Cl)cc1)C1CCCC1 ZINC000155793052 639950797 /nfs/dbraw/zinc/95/07/97/639950797.db2.gz WPCFPAAEKNSIQY-INIZCTEOSA-N 1 1 277.795 3.251 20 30 CGEDMO CC[N@@H+](CC#Cc1ccccc1)C[C@@H](O)c1ccc(C)cc1 ZINC000192048453 640346561 /nfs/dbraw/zinc/34/65/61/640346561.db2.gz STSIITWUADHOFS-HXUWFJFHSA-N 1 1 293.410 3.402 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cn1cccnc1=S ZINC000195162881 640569074 /nfs/dbraw/zinc/56/90/74/640569074.db2.gz CDNPZAGHFCCPHE-UHFFFAOYSA-N 1 1 285.416 3.301 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)Cn1cccnc1=S ZINC000195162881 640569075 /nfs/dbraw/zinc/56/90/75/640569075.db2.gz CDNPZAGHFCCPHE-UHFFFAOYSA-N 1 1 285.416 3.301 20 30 CGEDMO CCCCCCCC[N@@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000246981090 640704906 /nfs/dbraw/zinc/70/49/06/640704906.db2.gz LVHDJHOYKYNIIA-KGLIPLIRSA-N 1 1 277.474 3.100 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)Cc2ccccc2O)cc1 ZINC000091956712 640728359 /nfs/dbraw/zinc/72/83/59/640728359.db2.gz BZVYBTDJZCWGLL-CQSZACIVSA-N 1 1 296.370 3.315 20 30 CGEDMO CCCCCCCCN1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000249426286 640799036 /nfs/dbraw/zinc/79/90/36/640799036.db2.gz YFKFKBMGFLIRFK-MRXNPFEDSA-N 1 1 284.488 3.124 20 30 CGEDMO CCCCCCCC[N@@H+]1CCN(CC(C)(C)O)C[C@H]1C ZINC000249426286 640799040 /nfs/dbraw/zinc/79/90/40/640799040.db2.gz YFKFKBMGFLIRFK-MRXNPFEDSA-N 1 1 284.488 3.124 20 30 CGEDMO CCCCCCCC[N@H+]1CCN(CC(C)(C)O)C[C@H]1C ZINC000249426286 640799045 /nfs/dbraw/zinc/79/90/45/640799045.db2.gz YFKFKBMGFLIRFK-MRXNPFEDSA-N 1 1 284.488 3.124 20 30 CGEDMO CCC(CC)[C@H](CNC(=[NH2+])Nc1cccc(C)c1)N(C)C ZINC000303793094 640843583 /nfs/dbraw/zinc/84/35/83/640843583.db2.gz YZRPUBPNZDKPHR-INIZCTEOSA-N 1 1 290.455 3.088 20 30 CGEDMO CCN(CCNC(=[NH2+])Nc1cccc(C(C)C)c1)C1CC1 ZINC000303973016 640852355 /nfs/dbraw/zinc/85/23/55/640852355.db2.gz GIZLLXFBILTOKI-UHFFFAOYSA-N 1 1 288.439 3.021 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C=C2CCCCC2)C1 ZINC001006860974 640937945 /nfs/dbraw/zinc/93/79/45/640937945.db2.gz DAJXGKRPHMGHCW-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+](CC[C@@H](C)F)C2)CC1 ZINC001008423239 640950286 /nfs/dbraw/zinc/95/02/86/640950286.db2.gz QJTWFOBPGKARAB-GDBMZVCRSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C(F)F)c2)C1 ZINC001009262418 640957183 /nfs/dbraw/zinc/95/71/83/640957183.db2.gz GOOWWDSQFWFDJP-AWEZNQCLSA-N 1 1 294.345 3.004 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)c2cc3c(cccc3C)o2)C1 ZINC001009655329 640961233 /nfs/dbraw/zinc/96/12/33/640961233.db2.gz DOFYELNOQRWXAF-CQSZACIVSA-N 1 1 298.386 3.121 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3c(cccc3C)o2)C1 ZINC001009655329 640961240 /nfs/dbraw/zinc/96/12/40/640961240.db2.gz DOFYELNOQRWXAF-CQSZACIVSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C2(C)CCC(C)CC2)C1 ZINC001009693796 640961451 /nfs/dbraw/zinc/96/14/51/640961451.db2.gz XAHUWBHPDCLBOH-UPTPFMHGSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001014922223 640976616 /nfs/dbraw/zinc/97/66/16/640976616.db2.gz ZPXXEBJFBVDAOU-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2(C3CCC3)CCC2)C1 ZINC001015422046 640979319 /nfs/dbraw/zinc/97/93/19/640979319.db2.gz KTJYXONPHZSEIK-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)cc2Cl)C1 ZINC001015742720 640985373 /nfs/dbraw/zinc/98/53/73/640985373.db2.gz YBFLCFRZMRRCDG-CYBMUJFWSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)ccc2C)C1 ZINC001015868286 640986938 /nfs/dbraw/zinc/98/69/38/640986938.db2.gz UHLVVRSSFLBKQT-AWEZNQCLSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccccc2Cl)C1 ZINC001016068642 640990591 /nfs/dbraw/zinc/99/05/91/640990591.db2.gz UCXLLSVGBZBEDX-ZDUSSCGKSA-N 1 1 292.810 3.110 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[C@H]2CCCCC2(C)C)C1 ZINC001016425217 640999286 /nfs/dbraw/zinc/99/92/86/640999286.db2.gz SJCMZFPFQWXKRF-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]1CCC ZINC001017691003 641016469 /nfs/dbraw/zinc/01/64/69/641016469.db2.gz SGEIWIPWJQGUTB-NCOADZHNSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]1CCC ZINC001017691003 641016470 /nfs/dbraw/zinc/01/64/70/641016470.db2.gz SGEIWIPWJQGUTB-NCOADZHNSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[C@H](C)C1 ZINC001017821745 641017014 /nfs/dbraw/zinc/01/70/14/641017014.db2.gz GYXVXEZWWVVQNA-VVLHAWIVSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(CC)CCCC1 ZINC001018129594 641019487 /nfs/dbraw/zinc/01/94/87/641019487.db2.gz XESLGEARUXFIKS-IYBDPMFKSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(CC)(CC)CC ZINC001018106625 641019573 /nfs/dbraw/zinc/01/95/73/641019573.db2.gz FBFATLUDGHYKQO-IYBDPMFKSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(CC)cc1 ZINC001018232048 641020557 /nfs/dbraw/zinc/02/05/57/641020557.db2.gz SZIHPSXYBRAKCO-HDICACEKSA-N 1 1 298.430 3.114 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)cc1C ZINC001018231510 641021180 /nfs/dbraw/zinc/02/11/80/641021180.db2.gz LVZWOLORMZYKBY-CALCHBBNSA-N 1 1 298.430 3.168 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(CC)CC ZINC001018288559 641022811 /nfs/dbraw/zinc/02/28/11/641022811.db2.gz ISRUMUPMUBWCGV-IYBDPMFKSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[NH+]1CCN(c2nccc3cccc(Cl)c32)CC1 ZINC001165031777 721867345 /nfs/dbraw/zinc/86/73/45/721867345.db2.gz VFYGDQFEOILAOC-UHFFFAOYSA-N 1 1 287.794 3.196 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)C(C)C ZINC001155573402 805595206 /nfs/dbraw/zinc/59/52/06/805595206.db2.gz WOWSNPOQSCVTDZ-CABCVRRESA-N 1 1 268.445 3.071 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)C1CCCCC1 ZINC001155710614 805607210 /nfs/dbraw/zinc/60/72/10/805607210.db2.gz PSOIWDFLUZHKSV-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)c1ccc(C)s1 ZINC001156366226 805677196 /nfs/dbraw/zinc/67/71/96/805677196.db2.gz BUBPDJXHQOSXML-TZMCWYRMSA-N 1 1 294.464 3.173 20 30 CGEDMO CCN(C)c1cc[nH+]c(NC(C)(C)c2ccc(C#N)cc2)n1 ZINC001156429319 805689961 /nfs/dbraw/zinc/68/99/61/805689961.db2.gz RDPCMXPKLWTDTP-UHFFFAOYSA-N 1 1 295.390 3.152 20 30 CGEDMO N#Cc1c[nH]c2cc[nH+]c(NCCc3ccsc3)c12 ZINC001156521375 805709028 /nfs/dbraw/zinc/70/90/28/805709028.db2.gz ADSJVLZJDWODAK-UHFFFAOYSA-N 1 1 268.345 3.151 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)CCC1CCCCC1 ZINC001156717779 805727963 /nfs/dbraw/zinc/72/79/63/805727963.db2.gz SUZFTVJXDUVGKT-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1cccn1C(C)C ZINC001156922873 805753070 /nfs/dbraw/zinc/75/30/70/805753070.db2.gz RZZWHSNNOSEABC-OAHLLOKOSA-N 1 1 291.439 3.085 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](CC)CCCCC ZINC001157041212 805767753 /nfs/dbraw/zinc/76/77/53/805767753.db2.gz JQYVCLDXRRWZEA-IAGOWNOFSA-N 1 1 294.483 3.443 20 30 CGEDMO CC(C)[N@@H+](C)[C@@H]1CCN(c2cc(C#N)c3ccccc3n2)C1 ZINC001157018924 805766422 /nfs/dbraw/zinc/76/64/22/805766422.db2.gz BAALRPCNJJEGKJ-OAHLLOKOSA-N 1 1 294.402 3.025 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCSC ZINC001157503307 805826074 /nfs/dbraw/zinc/82/60/74/805826074.db2.gz ISQOTJXNKSAQCL-OAHLLOKOSA-N 1 1 298.496 3.019 20 30 CGEDMO C=CCN(c1cc(N2CCCC2)nc(C)[nH+]1)C(C)(C)C ZINC001157583464 805838704 /nfs/dbraw/zinc/83/87/04/805838704.db2.gz WZAZWEJNWZXFJP-UHFFFAOYSA-N 1 1 274.412 3.176 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)/C(C)=C\C ZINC001157784943 805870003 /nfs/dbraw/zinc/87/00/03/805870003.db2.gz VCJAARVUASAMAF-WTKLMOFPSA-N 1 1 284.831 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)/C(C)=C\C ZINC001157784943 805870014 /nfs/dbraw/zinc/87/00/14/805870014.db2.gz VCJAARVUASAMAF-WTKLMOFPSA-N 1 1 284.831 3.018 20 30 CGEDMO C#CCCCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)CCC ZINC001158316769 805936750 /nfs/dbraw/zinc/93/67/50/805936750.db2.gz RCOQPRJAWQUAQV-QGZVFWFLSA-N 1 1 292.467 3.293 20 30 CGEDMO C#CCOC[C@@H](O)C[N@H+](C)CCCCCCCCCC ZINC001251858279 805945654 /nfs/dbraw/zinc/94/56/54/805945654.db2.gz VAUBAYCSTONTEJ-KRWDZBQOSA-N 1 1 283.456 3.070 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC(CC)CC ZINC001158667571 805982305 /nfs/dbraw/zinc/98/23/05/805982305.db2.gz USNIBXLBQMFRMT-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+]1CCC(=O)[C@@H](C)CC1 ZINC001252123223 806010378 /nfs/dbraw/zinc/01/03/78/806010378.db2.gz DQQJSSMZLBHZMG-JKSUJKDBSA-N 1 1 283.456 3.399 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+](CC)CCn1cccn1 ZINC001252129909 806014893 /nfs/dbraw/zinc/01/48/93/806014893.db2.gz GVMUWCWRFSIPLN-QGZVFWFLSA-N 1 1 295.471 3.317 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@H](C(C)=O)C1 ZINC001252130232 806015062 /nfs/dbraw/zinc/01/50/62/806015062.db2.gz NWIJEXJHVKADBA-IRXDYDNUSA-N 1 1 283.456 3.399 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC001252130156 806015783 /nfs/dbraw/zinc/01/57/83/806015783.db2.gz MIOUMGHCDBMGQQ-ULQDDVLXSA-N 1 1 283.456 3.066 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC001252129974 806016070 /nfs/dbraw/zinc/01/60/70/806016070.db2.gz ICVQKOQTVAZOSG-AVEIZBFRSA-N 1 1 295.467 3.207 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@@H](CCO)C1 ZINC001252130326 806016428 /nfs/dbraw/zinc/01/64/28/806016428.db2.gz OKEAGXONLQOUQF-DLBZAZTESA-N 1 1 285.472 3.192 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@H]1C(C)(C)O ZINC001252130850 806017480 /nfs/dbraw/zinc/01/74/80/806017480.db2.gz ZEVXZUHRMOWRST-HOTGVXAUSA-N 1 1 285.472 3.333 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+](C)CCSC ZINC001252132308 806018751 /nfs/dbraw/zinc/01/87/51/806018751.db2.gz FDUBSTRBPQWYCB-AWEZNQCLSA-N 1 1 261.475 3.393 20 30 CGEDMO CCCCCCCC[C@H](O)C[NH2+]Cc1ncc(Cl)cn1 ZINC001252133945 806019817 /nfs/dbraw/zinc/01/98/17/806019817.db2.gz MKXNTHOCMLNLFL-AWEZNQCLSA-N 1 1 299.846 3.331 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)c2ccccc2)CC1 ZINC001159111119 806041747 /nfs/dbraw/zinc/04/17/47/806041747.db2.gz DHVZTBKMODGLAL-UHFFFAOYSA-N 1 1 284.403 3.015 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CCNC(=O)c2ccccc2)CC1 ZINC001159111216 806042821 /nfs/dbraw/zinc/04/28/21/806042821.db2.gz IXLRRMPEQSSVNS-UHFFFAOYSA-N 1 1 298.430 3.405 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CCNC(=O)C=C(C)C)CC1 ZINC001159199377 806057256 /nfs/dbraw/zinc/05/72/56/806057256.db2.gz LXMGSVVTQAYDNV-UHFFFAOYSA-N 1 1 276.424 3.057 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC001252558790 806063026 /nfs/dbraw/zinc/06/30/26/806063026.db2.gz JCISWUCSGAOQFK-HIFRSBDPSA-N 1 1 265.784 3.066 20 30 CGEDMO C=C[C@](C)(O)C[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001252560433 806065789 /nfs/dbraw/zinc/06/57/89/806065789.db2.gz RWFPVCLGUPBVIK-RISCZKNCSA-N 1 1 253.773 3.270 20 30 CGEDMO C=C(Cl)C[N@H+]1CC=C(CCNC(=O)C(CC)CC)CC1 ZINC001159354183 806084642 /nfs/dbraw/zinc/08/46/42/806084642.db2.gz IOTGGYRUUVZOPY-UHFFFAOYSA-N 1 1 298.858 3.314 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)C(CC)CC)CC1 ZINC001159354183 806084649 /nfs/dbraw/zinc/08/46/49/806084649.db2.gz IOTGGYRUUVZOPY-UHFFFAOYSA-N 1 1 298.858 3.314 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CCNC(=O)/C(C)=C\CC)CC1 ZINC001159457341 806105488 /nfs/dbraw/zinc/10/54/88/806105488.db2.gz CEAKALCMKUQTSZ-PXNMLYILSA-N 1 1 290.451 3.447 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+](C)[C@H]1CC[C@H](O)CC1 ZINC001253235592 806188488 /nfs/dbraw/zinc/18/84/88/806188488.db2.gz MCUDWNLPBITVDW-BRWVUGGUSA-N 1 1 283.456 3.109 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCCC(=O)[C@H](C)C1 ZINC001253233863 806188600 /nfs/dbraw/zinc/18/86/00/806188600.db2.gz PHIBCUXKLJAPHZ-HZPDHXFCSA-N 1 1 281.440 3.175 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+](CC)C1CCN(C)CC1 ZINC001253239559 806190973 /nfs/dbraw/zinc/19/09/73/806190973.db2.gz NQRGBLNNGDBMFA-GOSISDBHSA-N 1 1 296.499 3.290 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCO[C@H](C(C)C)C1 ZINC001253240725 806192932 /nfs/dbraw/zinc/19/29/32/806192932.db2.gz POWZSBAYCYRPNR-SJORKVTESA-N 1 1 283.456 3.231 20 30 CGEDMO C=CCCCC[N@H+](C)C[C@@H](O)c1ccc(F)c(F)c1 ZINC001253361277 806210197 /nfs/dbraw/zinc/21/01/97/806210197.db2.gz QUMJTGMTSWXNMW-OAHLLOKOSA-N 1 1 269.335 3.286 20 30 CGEDMO N#Cc1c[nH]c2cc[nH+]c(N[C@@H]3COCc4ccccc43)c12 ZINC001160119609 806225046 /nfs/dbraw/zinc/22/50/46/806225046.db2.gz HESQMDYFUFPYEQ-OAHLLOKOSA-N 1 1 290.326 3.118 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)C(C)(C)C(C)C)CC1 ZINC001160236721 806240028 /nfs/dbraw/zinc/24/00/28/806240028.db2.gz YJIKAGAPDGIBHH-UHFFFAOYSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)[C@]2(C)CC=CCC2)CC1 ZINC001160253441 806242889 /nfs/dbraw/zinc/24/28/89/806242889.db2.gz SUXQXTAEKHCAPT-GOSISDBHSA-N 1 1 288.435 3.057 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)C2(CC(C)C)CC2)CC1 ZINC001160342146 806258517 /nfs/dbraw/zinc/25/85/17/806258517.db2.gz GVMJZANOLJNYDA-UHFFFAOYSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C[C@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1SC ZINC001253586014 806264800 /nfs/dbraw/zinc/26/48/00/806264800.db2.gz IEVWPOPRIYYAQH-JSGCOSHPSA-N 1 1 263.406 3.092 20 30 CGEDMO C=C[C@H](O)C[N@H+]1[C@@H]2Cc3ccccc3[C@@]1(C)c1ccccc12 ZINC001253587020 806265411 /nfs/dbraw/zinc/26/54/11/806265411.db2.gz XNGRZHFQPXYCIR-BEVDRBHNSA-N 1 1 291.394 3.410 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H](C)C2CCC2)CC1 ZINC001160462968 806275416 /nfs/dbraw/zinc/27/54/16/806275416.db2.gz UMPNIAJOTBFAMU-HNNXBMFYSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CCNC(=O)C(C)(C)C=C)CC1 ZINC001160888316 806316354 /nfs/dbraw/zinc/31/63/54/806316354.db2.gz NDHTVYPRCADRQH-UHFFFAOYSA-N 1 1 290.451 3.303 20 30 CGEDMO C=CC(C)(C)C(=O)NCCC1=CC[N@@H+](CC2CCC2)CC1 ZINC001160888360 806316608 /nfs/dbraw/zinc/31/66/08/806316608.db2.gz REVTVMXYIZCGIC-UHFFFAOYSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)C(C)(C)CC=C)CC1 ZINC001161343764 806367290 /nfs/dbraw/zinc/36/72/90/806367290.db2.gz SHSBAZFAYWLPFJ-UHFFFAOYSA-N 1 1 290.451 3.303 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H](C)CC(C)C)CC1 ZINC001161579414 806395676 /nfs/dbraw/zinc/39/56/76/806395676.db2.gz RAMRFJKHPYUGJX-MRXNPFEDSA-N 1 1 292.467 3.383 20 30 CGEDMO N#C[C@H]1CCCC[N@@H+]1C1CCc2ccccc2CC1 ZINC001254461681 806409371 /nfs/dbraw/zinc/40/93/71/806409371.db2.gz KYVPPTSCQSJRCB-QGZVFWFLSA-N 1 1 254.377 3.312 20 30 CGEDMO N#C[C@H]1CCCC[N@H+]1C1CCc2ccccc2CC1 ZINC001254461681 806409377 /nfs/dbraw/zinc/40/93/77/806409377.db2.gz KYVPPTSCQSJRCB-QGZVFWFLSA-N 1 1 254.377 3.312 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](C2CCc3ccccc3CC2)C1 ZINC001254461515 806409405 /nfs/dbraw/zinc/40/94/05/806409405.db2.gz IFDLLDYLKRUWFC-AWEZNQCLSA-N 1 1 254.377 3.170 20 30 CGEDMO C[N@H+]1CCC[C@H](N[C@@](C)(C#N)c2ccccc2Cl)CC1 ZINC001254506633 806427700 /nfs/dbraw/zinc/42/77/00/806427700.db2.gz VZDSVNUEQIKEDU-BBRMVZONSA-N 1 1 291.826 3.153 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254560516 806451433 /nfs/dbraw/zinc/45/14/33/806451433.db2.gz UWWYPIQCHRJCKD-CYBMUJFWSA-N 1 1 262.353 3.424 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](C2CCN(c3ccc(F)cc3)CC2)C1 ZINC001254633632 806466276 /nfs/dbraw/zinc/46/62/76/806466276.db2.gz QCNWEDMHSBOTMO-KRWDZBQOSA-N 1 1 287.382 3.030 20 30 CGEDMO COc1ccc(-c2nc(C[NH2+][C@@H]3CC[C@@H](C#N)C3)co2)cc1 ZINC001254650329 806474307 /nfs/dbraw/zinc/47/43/07/806474307.db2.gz UUZCPFMTIVFNHX-TZMCWYRMSA-N 1 1 297.358 3.132 20 30 CGEDMO N#C[C@@H]1CC[C@@H](NC2CC[NH+](C[C@@H]3CC=CCC3)CC2)C1 ZINC001254654188 806475080 /nfs/dbraw/zinc/47/50/80/806475080.db2.gz SJDKUWALXLUCQS-JFIYKMOQSA-N 1 1 287.451 3.089 20 30 CGEDMO COc1ccccc1[C@H](C)[N@@H+](C)[C@@H]1CC[C@@H](C#N)C1 ZINC001254668221 806479370 /nfs/dbraw/zinc/47/93/70/806479370.db2.gz FLRXYRSYCBCLOA-BFHYXJOUSA-N 1 1 258.365 3.380 20 30 CGEDMO N#C[C@@H]1CC[C@@H](N2CCCC[C@@H]2CC[NH+]2CCCC2)C1 ZINC001254669000 806479491 /nfs/dbraw/zinc/47/94/91/806479491.db2.gz MMHBTJGUOOCTKM-BRWVUGGUSA-N 1 1 275.440 3.019 20 30 CGEDMO Cc1[nH+]c(NCC2(c3ncccc3F)CC2)ccc1CC#N ZINC001162164219 806519204 /nfs/dbraw/zinc/51/92/04/806519204.db2.gz RSHBGMNFPNDDDP-UHFFFAOYSA-N 1 1 296.349 3.134 20 30 CGEDMO N#CCC[N@@H+](C1CCOCC1)C1CCCCCCC1 ZINC001255041607 806532737 /nfs/dbraw/zinc/53/27/37/806532737.db2.gz SIBDYHAHZRQGEO-UHFFFAOYSA-N 1 1 264.413 3.494 20 30 CGEDMO C[C@H](C#N)N(C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255151830 806554580 /nfs/dbraw/zinc/55/45/80/806554580.db2.gz YMKADVLOWKQSCP-BGTYHANMSA-N 1 1 283.419 3.026 20 30 CGEDMO CC[C@H](CC#N)[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC001255153042 806554880 /nfs/dbraw/zinc/55/48/80/806554880.db2.gz OTQIMCYRUDSSKK-ZIAGYGMSSA-N 1 1 266.772 3.045 20 30 CGEDMO CC[C@H](CC#N)[N@H+]1CC[C@@H](c2ccc(OC)cc2)C1 ZINC001255173651 806566117 /nfs/dbraw/zinc/56/61/17/806566117.db2.gz CURQEBXVQSRBHG-HUUCEWRRSA-N 1 1 258.365 3.177 20 30 CGEDMO CC[C@H](CC#N)[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC001255173289 806566478 /nfs/dbraw/zinc/56/64/78/806566478.db2.gz YSBWFGWLGMOAPS-CQSZACIVSA-N 1 1 276.355 3.361 20 30 CGEDMO CC[C@@H](CC#N)[N@H+]1CCC[C@H]1CCNC(=O)OC(C)(C)C ZINC001255174419 806568828 /nfs/dbraw/zinc/56/88/28/806568828.db2.gz WZMQPIJHMJEZRU-KBPBESRZSA-N 1 1 295.427 3.058 20 30 CGEDMO CC[C@H](CC#N)[N@@H+](C1CCCC1)C1CCN(C)CC1 ZINC001255177536 806570330 /nfs/dbraw/zinc/57/03/30/806570330.db2.gz UKPSUVGKURXYRS-CQSZACIVSA-N 1 1 263.429 3.017 20 30 CGEDMO CC[C@H](CC#N)N(C1CCCC1)C1CC[NH+](C)CC1 ZINC001255177536 806570341 /nfs/dbraw/zinc/57/03/41/806570341.db2.gz UKPSUVGKURXYRS-CQSZACIVSA-N 1 1 263.429 3.017 20 30 CGEDMO CC[C@@H](CC#N)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1CC ZINC001255178782 806571608 /nfs/dbraw/zinc/57/16/08/806571608.db2.gz JPZHXVGHDNMGEU-ROUUACIJSA-N 1 1 285.435 3.275 20 30 CGEDMO CC[C@@H](CC#N)[N@H+]1CC[C@H](c2cccc(OC)c2)C1 ZINC001255179845 806572037 /nfs/dbraw/zinc/57/20/37/806572037.db2.gz SKJLEAQABVTZTC-GJZGRUSLSA-N 1 1 258.365 3.177 20 30 CGEDMO C#CC[N@H+]([C@@H]1CCc2ccccc21)[C@H]1CCSC1 ZINC001255289042 806594723 /nfs/dbraw/zinc/59/47/23/806594723.db2.gz DQDUNCSGQIBYSM-GOEBONIOSA-N 1 1 257.402 3.115 20 30 CGEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H](C)CCCC)C2 ZINC001255328337 806614617 /nfs/dbraw/zinc/61/46/17/806614617.db2.gz ITZOAFINXGSJLI-IXDOHACOSA-N 1 1 281.440 3.391 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@H+]([C@H](C)CCCC)C2)C1=O ZINC001255325818 806613254 /nfs/dbraw/zinc/61/32/54/806613254.db2.gz MBARKWRSVTYHMQ-WBVHZDCISA-N 1 1 278.440 3.066 20 30 CGEDMO N#C[C@@H]1CCCCN1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255402818 806632078 /nfs/dbraw/zinc/63/20/78/806632078.db2.gz BCAAOFSAFYAHPJ-OALUTQOASA-N 1 1 297.446 3.419 20 30 CGEDMO CC(C)(C)C(=[NH2+])Nc1cc(CC#N)ccc1[N+](=O)[O-] ZINC001162665880 806645129 /nfs/dbraw/zinc/64/51/29/806645129.db2.gz RVTZGMIZDUSIJL-UHFFFAOYSA-N 1 1 260.297 3.096 20 30 CGEDMO CC1(C)C[C@H]([N@@H+](CCC#N)Cc2ccccc2)CCO1 ZINC001255534944 806667538 /nfs/dbraw/zinc/66/75/38/806667538.db2.gz JIWWMASHUJAVQX-MRXNPFEDSA-N 1 1 272.392 3.360 20 30 CGEDMO C=C(Br)C[N@H+](C)[C@H]1CC[C@H](SC)C1 ZINC000075920937 798924290 /nfs/dbraw/zinc/92/42/90/798924290.db2.gz ZINBDWYXSCTFHR-UWVGGRQHSA-N 1 1 264.232 3.111 20 30 CGEDMO C=C1CC=C(F)C=C1NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255671285 806701216 /nfs/dbraw/zinc/70/12/16/806701216.db2.gz HXIKVULXHQVGQE-GOOCMWNKSA-N 1 1 262.372 3.289 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001255715220 806716557 /nfs/dbraw/zinc/71/65/57/806716557.db2.gz CNYPXOMWXWDEIT-UPJWGTAASA-N 1 1 259.315 3.453 20 30 CGEDMO Cc1ccc(CC#N)c(NC2(c3ccc(N)cc3)CC2)[nH+]1 ZINC001163201062 806720026 /nfs/dbraw/zinc/72/00/26/806720026.db2.gz VFSNLQHINKNGOU-UHFFFAOYSA-N 1 1 278.359 3.140 20 30 CGEDMO C#C[C@](C)(CC)[NH2+]Cc1nc(C(C)(C)C)cs1 ZINC000384203593 799414387 /nfs/dbraw/zinc/41/43/87/799414387.db2.gz MLTMOXQKGLMVMI-CQSZACIVSA-N 1 1 250.411 3.332 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](Nc2ncc(C#N)cc2Cl)[C@H](C)C1 ZINC001163362038 806747423 /nfs/dbraw/zinc/74/74/23/806747423.db2.gz LYPVFHOYPQKFJJ-RISCZKNCSA-N 1 1 292.814 3.137 20 30 CGEDMO C=C(Br)C[NH2+]Cc1cnc(Cl)c(C)c1 ZINC000388808987 799456935 /nfs/dbraw/zinc/45/69/35/799456935.db2.gz BZGVMFMGHHKCGH-UHFFFAOYSA-N 1 1 275.577 3.042 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](Nc2cc(Cl)ncc2C#N)[C@@H](C)C1 ZINC001163365140 806749947 /nfs/dbraw/zinc/74/99/47/806749947.db2.gz XNMYEVCXYGLBGQ-WCQYABFASA-N 1 1 292.814 3.137 20 30 CGEDMO C[C@@H]1C[C@H](NCC2(C#N)CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000405110753 799581834 /nfs/dbraw/zinc/58/18/34/799581834.db2.gz SFITUVASRRQGMO-AEFFLSMTSA-N 1 1 297.446 3.323 20 30 CGEDMO C[C@@H]1C[C@H](NCC2(C#N)CCCC2)C[N@H+]1Cc1ccccc1 ZINC000405110753 799581836 /nfs/dbraw/zinc/58/18/36/799581836.db2.gz SFITUVASRRQGMO-AEFFLSMTSA-N 1 1 297.446 3.323 20 30 CGEDMO CCOC(=O)CC(=[NH2+])Nc1cc(CC#N)cc2ccccc21 ZINC001163449520 806763731 /nfs/dbraw/zinc/76/37/31/806763731.db2.gz YFUAQRFTRWUXPS-UHFFFAOYSA-N 1 1 295.342 3.248 20 30 CGEDMO CCC(C)(C)CC[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000686221984 799733599 /nfs/dbraw/zinc/73/35/99/799733599.db2.gz VGDJTSOGSRJAHF-MRXNPFEDSA-N 1 1 274.408 3.350 20 30 CGEDMO CC(C)(C)[N@H+]1CC[C@@H](CNc2nc(Cl)c(C#N)s2)C1 ZINC000693003421 799805774 /nfs/dbraw/zinc/80/57/74/799805774.db2.gz DJLFPJIRNDRCHX-VIFPVBQESA-N 1 1 298.843 3.200 20 30 CGEDMO C=CC[N@H+](CC(=O)OCC)C[C@@H](C)CC(C)(C)C ZINC000709117050 800003639 /nfs/dbraw/zinc/00/36/39/800003639.db2.gz YAEQGDFFDCKMCW-ZDUSSCGKSA-N 1 1 255.402 3.110 20 30 CGEDMO C=CC[N@@H+](CC(=O)OCC)C[C@@H](C)CC(C)(C)C ZINC000709117050 800003633 /nfs/dbraw/zinc/00/36/33/800003633.db2.gz YAEQGDFFDCKMCW-ZDUSSCGKSA-N 1 1 255.402 3.110 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@@H](c3nccs3)C2)cc1C#N ZINC000710353742 800032890 /nfs/dbraw/zinc/03/28/90/800032890.db2.gz CQCJPXLIBTVABB-CQSZACIVSA-N 1 1 283.400 3.313 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](CF)C2)c(Cl)c1 ZINC000711420345 800057568 /nfs/dbraw/zinc/05/75/68/800057568.db2.gz MQUXFTAYXDZTAJ-LBPRGKRZSA-N 1 1 266.747 3.393 20 30 CGEDMO C#C[C@](C)(CC)[NH2+]Cc1nc(C)c(Br)s1 ZINC000719214404 800233352 /nfs/dbraw/zinc/23/33/52/800233352.db2.gz CPNBDMYNBPMPSS-LLVKDONJSA-N 1 1 287.226 3.106 20 30 CGEDMO N#Cc1csc(C[NH2+]Cc2nc3c(s2)CCCC3)c1 ZINC000719530583 800240453 /nfs/dbraw/zinc/24/04/53/800240453.db2.gz LYARNZDRLZXKTF-UHFFFAOYSA-N 1 1 289.429 3.245 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)c1 ZINC000721559293 800294470 /nfs/dbraw/zinc/29/44/70/800294470.db2.gz LTPSCBBSWQCLQB-CVEARBPZSA-N 1 1 255.365 3.108 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCCN(c3ccccc3)CC2)cc1 ZINC000809553500 800446153 /nfs/dbraw/zinc/44/61/53/800446153.db2.gz XWAIHDNVWZRXGQ-UHFFFAOYSA-N 1 1 290.410 3.380 20 30 CGEDMO COc1ccc(C#N)cc1C[NH2+][C@H](c1ccccn1)C1CC1 ZINC000932384168 800662809 /nfs/dbraw/zinc/66/28/09/800662809.db2.gz QBRDYELFMGHDTL-SFHVURJKSA-N 1 1 293.370 3.203 20 30 CGEDMO C=CCOCc1cccc(NCCn2cc[nH+]c2C)c1 ZINC001163927778 806852010 /nfs/dbraw/zinc/85/20/10/806852010.db2.gz CJIPMSFHJRIROD-UHFFFAOYSA-N 1 1 271.364 3.006 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000934458973 800678944 /nfs/dbraw/zinc/67/89/44/800678944.db2.gz GWTSVYUJSSAAIF-ZIAGYGMSSA-N 1 1 285.309 3.389 20 30 CGEDMO Cc1[nH+]ccn1CCNc1cc(Cl)ccc1CC#N ZINC001163932794 806853318 /nfs/dbraw/zinc/85/33/18/806853318.db2.gz DMALZMRUJRAVGH-UHFFFAOYSA-N 1 1 274.755 3.023 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C2CCCCC2)C1 ZINC001006610024 800699540 /nfs/dbraw/zinc/69/95/40/800699540.db2.gz SHKYYPSSFKXWIT-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C)s2)C1 ZINC001023204439 800707152 /nfs/dbraw/zinc/70/71/52/800707152.db2.gz QLWJQUFCLIGBRJ-AWEZNQCLSA-N 1 1 292.448 3.074 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)C1=CCCCCC1 ZINC001024411354 800728948 /nfs/dbraw/zinc/72/89/48/800728948.db2.gz OVUVMJRRAHVXIT-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC(C(C)(C)C)C1 ZINC001024820428 800737232 /nfs/dbraw/zinc/73/72/32/800737232.db2.gz ZFTIQDHESQDUPG-UYSNPLJNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C)cc1 ZINC001024773846 800738018 /nfs/dbraw/zinc/73/80/18/800738018.db2.gz LIUUSMZRTVPQRR-QGZVFWFLSA-N 1 1 286.419 3.155 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC1CC1 ZINC001025190620 800746395 /nfs/dbraw/zinc/74/63/95/800746395.db2.gz YPLAVUMXMJDOJG-IRXDYDNUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCC ZINC001025192403 800747093 /nfs/dbraw/zinc/74/70/93/800747093.db2.gz PTQDLUDHYDJZBD-HUUCEWRRSA-N 1 1 298.858 3.385 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC1CC1 ZINC001025190619 800747247 /nfs/dbraw/zinc/74/72/47/800747247.db2.gz YPLAVUMXMJDOJG-IAGOWNOFSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(CC)CC ZINC001025199641 800748411 /nfs/dbraw/zinc/74/84/11/800748411.db2.gz YALLGPYTTHYPSY-IAGOWNOFSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1=CCCC1 ZINC001025220600 800750401 /nfs/dbraw/zinc/75/04/01/800750401.db2.gz IANTZPOJWRGTHD-SJORKVTESA-N 1 1 288.435 3.128 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@H+]1CCF ZINC001025259047 800751911 /nfs/dbraw/zinc/75/19/11/800751911.db2.gz NBHZSYUGVXVLGO-LSDHHAIUSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)C ZINC001025292373 800752731 /nfs/dbraw/zinc/75/27/31/800752731.db2.gz HWVKGAIUCVGMEZ-HZPDHXFCSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2sccc2C)C1 ZINC001025310202 800752887 /nfs/dbraw/zinc/75/28/87/800752887.db2.gz FUJABVOKAUFHGL-ZIAGYGMSSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccs2)C1 ZINC001025329005 800757234 /nfs/dbraw/zinc/75/72/34/800757234.db2.gz MLSADSLYJUYBBH-ZIAGYGMSSA-N 1 1 292.448 3.155 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccsc2C)C1 ZINC001025415991 800760220 /nfs/dbraw/zinc/76/02/20/800760220.db2.gz XGZCREJFJSLTIW-OCCSQVGLSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)CC2CCCCC2)C1 ZINC001027287266 800790044 /nfs/dbraw/zinc/79/00/44/800790044.db2.gz IYYWOFLIJQZWLH-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C[C@@H]2C=CCCC2)C1 ZINC001027460533 800796606 /nfs/dbraw/zinc/79/66/06/800796606.db2.gz KESWIAFOAPTRHK-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)C(C)(C)C)C1 ZINC001027527370 800800335 /nfs/dbraw/zinc/80/03/35/800800335.db2.gz CPQWOUBQYJSJLI-CQSZACIVSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1 ZINC001027662739 800809868 /nfs/dbraw/zinc/80/98/68/800809868.db2.gz YJKNYZWXZUTGFK-QGZVFWFLSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2occc2c1 ZINC001027898614 800825692 /nfs/dbraw/zinc/82/56/92/800825692.db2.gz KCOZZFAFVVYJJG-MRXNPFEDSA-N 1 1 298.386 3.203 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C2CCC2)cc1 ZINC001027918572 800825828 /nfs/dbraw/zinc/82/58/28/800825828.db2.gz OSRRUTDYIMIBBX-GOSISDBHSA-N 1 1 298.430 3.334 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C)sc1C ZINC001028008707 800827486 /nfs/dbraw/zinc/82/74/86/800827486.db2.gz DDASSLNUGHCWCT-CQSZACIVSA-N 1 1 292.448 3.135 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)C1CCC2(CC2)CC1 ZINC001028032434 800828657 /nfs/dbraw/zinc/82/86/57/800828657.db2.gz WAEAYUUMDUQBQQ-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1Cl ZINC001028276564 800837691 /nfs/dbraw/zinc/83/76/91/800837691.db2.gz KRNNNHKKZPLDOB-CYBMUJFWSA-N 1 1 292.810 3.110 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC12CCCC2 ZINC001028242740 800838150 /nfs/dbraw/zinc/83/81/50/800838150.db2.gz HWPSNYAZANUKQP-HOTGVXAUSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(C)c(C)s1 ZINC001028307460 800839650 /nfs/dbraw/zinc/83/96/50/800839650.db2.gz ICODKNUYDMKAPX-AWEZNQCLSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1sccc1C1CC1 ZINC001028303409 800840651 /nfs/dbraw/zinc/84/06/51/800840651.db2.gz NIUZYDMITIHLQD-ZDUSSCGKSA-N 1 1 290.432 3.006 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C)c(C)s1 ZINC001028307461 800840921 /nfs/dbraw/zinc/84/09/21/800840921.db2.gz ICODKNUYDMKAPX-CQSZACIVSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)C1CC(C(C)(C)C)C1 ZINC001028344393 800843901 /nfs/dbraw/zinc/84/39/01/800843901.db2.gz DZESFZJWBDHHEC-UYSNPLJNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)C2CCCCCC2)C1 ZINC001028442779 800847333 /nfs/dbraw/zinc/84/73/33/800847333.db2.gz HSWLVBDTHHPQAA-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001028625249 800850872 /nfs/dbraw/zinc/85/08/72/800850872.db2.gz OUUFDRWAOPNJKX-IAGOWNOFSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001028562653 800850996 /nfs/dbraw/zinc/85/09/96/800850996.db2.gz RJABIKXUGFYENE-DLBZAZTESA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](CNC(=O)c2occc2C(C)C)C1 ZINC001028758895 800852980 /nfs/dbraw/zinc/85/29/80/800852980.db2.gz ZAYXZRLHFAAIHK-CQSZACIVSA-N 1 1 290.407 3.031 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](CNC(=O)c2csc(Cl)c2)C1 ZINC001028847549 800853567 /nfs/dbraw/zinc/85/35/67/800853567.db2.gz KBYDMWLYXAHGQB-LLVKDONJSA-N 1 1 298.839 3.029 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)c2csc(C)c2)C1 ZINC001028868993 800853722 /nfs/dbraw/zinc/85/37/22/800853722.db2.gz MWGDEIKFGARUJN-AWEZNQCLSA-N 1 1 292.448 3.074 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001029009227 800858228 /nfs/dbraw/zinc/85/82/28/800858228.db2.gz QEHWXUFSHNPHJK-JKSUJKDBSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001029453867 800868969 /nfs/dbraw/zinc/86/89/69/800868969.db2.gz NVEMVGSYABCAPO-JZXOWHBKSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCCC)CC1 ZINC001029457108 800869298 /nfs/dbraw/zinc/86/92/98/800869298.db2.gz FJHWVEAYVWIXOH-CALCHBBNSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)c2cccc(C)c2Cl)C1 ZINC001031123905 800903812 /nfs/dbraw/zinc/90/38/12/800903812.db2.gz NBNSIGSIFSTLIG-UHFFFAOYSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001031092868 800903863 /nfs/dbraw/zinc/90/38/63/800903863.db2.gz KPCDGBRUJLLQPO-UHFFFAOYSA-N 1 1 296.414 3.026 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)c2oc3ccccc3c2C)C1 ZINC001031351752 800908780 /nfs/dbraw/zinc/90/87/80/800908780.db2.gz ICZZVWPGHIBOTB-UHFFFAOYSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)c2cc3cccc(C)c3o2)C1 ZINC001031443735 800910282 /nfs/dbraw/zinc/91/02/82/800910282.db2.gz AAADEABZKVNVTF-UHFFFAOYSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCCCCC1 ZINC001032312161 800924489 /nfs/dbraw/zinc/92/44/89/800924489.db2.gz YETLGOGVFQKVOL-IRXDYDNUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2sccc2Cl)C1 ZINC001033096672 800952499 /nfs/dbraw/zinc/95/24/99/800952499.db2.gz BPOUVERENSBDHN-NSHDSACASA-N 1 1 298.839 3.124 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3occc3c2)C1 ZINC001033104967 800952679 /nfs/dbraw/zinc/95/26/79/800952679.db2.gz WZUPYDCDUGGOQQ-INIZCTEOSA-N 1 1 298.386 3.155 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2sc(C)cc2C)C1 ZINC001033119830 800954223 /nfs/dbraw/zinc/95/42/23/800954223.db2.gz PWSPRISLEAMRAB-CQSZACIVSA-N 1 1 292.448 3.087 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2c(C)oc3ccccc32)C1 ZINC001033111172 800954343 /nfs/dbraw/zinc/95/43/43/800954343.db2.gz LYEZSQKQVGPEBL-AWEZNQCLSA-N 1 1 298.386 3.074 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)C2CCCC2)C1 ZINC001033151035 800954452 /nfs/dbraw/zinc/95/44/52/800954452.db2.gz IZEQFLFNGNDRGP-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)C2CCC3(CC3)CC2)C1 ZINC001033269498 800957137 /nfs/dbraw/zinc/95/71/37/800957137.db2.gz ISYBIKWUJXGFAW-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C)c(C)c2)C1 ZINC001033634779 800972121 /nfs/dbraw/zinc/97/21/21/800972121.db2.gz XXSUHTWQRCNBLY-KRWDZBQOSA-N 1 1 286.419 3.026 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(Cl)o2)C1 ZINC001033751010 800982038 /nfs/dbraw/zinc/98/20/38/800982038.db2.gz ZWXFMWARQKTIQM-GFCCVEGCSA-N 1 1 296.798 3.046 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(C)oc2C)C1 ZINC001033750486 800982059 /nfs/dbraw/zinc/98/20/59/800982059.db2.gz SFLZYXTXFXEKFW-HNNXBMFYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCC23CC3)C1 ZINC001033872453 800986927 /nfs/dbraw/zinc/98/69/27/800986927.db2.gz KKQBZKJPABHDGM-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCC2(C)C)C1 ZINC001033927825 800989266 /nfs/dbraw/zinc/98/92/66/800989266.db2.gz QNRUECBSFOTAKK-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C1CCC(C(=O)N(CC)[C@H]2CC[N@H+](CCC)C2)CC1 ZINC001033951404 800991890 /nfs/dbraw/zinc/99/18/90/800991890.db2.gz VGRNFBQTGDCPMF-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)c2ccoc2C)C1 ZINC001034091273 801004028 /nfs/dbraw/zinc/00/40/28/801004028.db2.gz OQGDIHCLWHQKPG-OAHLLOKOSA-N 1 1 290.407 3.139 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001034101747 801005929 /nfs/dbraw/zinc/00/59/29/801005929.db2.gz NZGYGPUSKGNEJY-LBPRGKRZSA-N 1 1 296.798 3.093 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)C(C)=C2CCC2)C1 ZINC001034203236 801010459 /nfs/dbraw/zinc/01/04/59/801010459.db2.gz FGCORRVYJWYLAJ-HNNXBMFYSA-N 1 1 296.842 3.210 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)C(C)=C2CCC2)C1 ZINC001034203236 801010467 /nfs/dbraw/zinc/01/04/67/801010467.db2.gz FGCORRVYJWYLAJ-HNNXBMFYSA-N 1 1 296.842 3.210 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)C(C)=C2CCC2)C1 ZINC001034203989 801010722 /nfs/dbraw/zinc/01/07/22/801010722.db2.gz LEMJSCOKECGQAM-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2sccc2F)C1 ZINC001034198007 801011516 /nfs/dbraw/zinc/01/15/16/801011516.db2.gz LWPAVFBGQQBCMT-GFCCVEGCSA-N 1 1 296.411 3.048 20 30 CGEDMO C#Cc1ccc(C(=O)N[C@H]2CCCC[N@H+](CCCC)C2)cc1 ZINC001034344247 801018160 /nfs/dbraw/zinc/01/81/60/801018160.db2.gz HYEXTNWDIXYGPZ-SFHVURJKSA-N 1 1 298.430 3.052 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)C(C)(C)C2CC2)C1 ZINC001034354343 801019340 /nfs/dbraw/zinc/01/93/40/801019340.db2.gz DKDHAIKOWIHCRQ-AWEZNQCLSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)C2CC2)C1 ZINC001034354343 801019347 /nfs/dbraw/zinc/01/93/47/801019347.db2.gz DKDHAIKOWIHCRQ-AWEZNQCLSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2cc(Cl)cs2)C1 ZINC001034433900 801026014 /nfs/dbraw/zinc/02/60/14/801026014.db2.gz IMGYWYALKHXQQU-GFCCVEGCSA-N 1 1 298.839 3.172 20 30 CGEDMO C=Cc1ccc(C(=O)N[C@@H]2CCCC[N@H+](CC(=C)C)C2)cc1 ZINC001034419793 801026715 /nfs/dbraw/zinc/02/67/15/801026715.db2.gz RFHITWVDYXLWBR-GOSISDBHSA-N 1 1 298.430 3.490 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC23CCC3)C1 ZINC001034420943 801027166 /nfs/dbraw/zinc/02/71/66/801027166.db2.gz CPIPUSSVTXJSPG-JKSUJKDBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C)cc2C)C1 ZINC001034520409 801031710 /nfs/dbraw/zinc/03/17/10/801031710.db2.gz WHSASAUOPBDIRO-INIZCTEOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001034547415 801033902 /nfs/dbraw/zinc/03/39/02/801033902.db2.gz QKCRJNZWAGCLSL-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](C)C(C)C)CC2 ZINC001035235813 801057740 /nfs/dbraw/zinc/05/77/40/801057740.db2.gz SYFDHZHIFQZKSQ-MRXNPFEDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C)CC[C@H]21 ZINC001036631817 801084684 /nfs/dbraw/zinc/08/46/84/801084684.db2.gz CBYIQRWTNXYBKV-SJLPKXTDSA-N 1 1 298.430 3.108 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CN(C(=O)CC3CCCC3)CC[C@@H]21 ZINC001036633441 801084878 /nfs/dbraw/zinc/08/48/78/801084878.db2.gz CGNZGYIJISZGKV-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(CC)CC3)CC[C@@H]21 ZINC001036814931 801090799 /nfs/dbraw/zinc/09/07/99/801090799.db2.gz WNYPYCLBXYDTNA-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1coc2c1cccc2C ZINC001038342726 801124116 /nfs/dbraw/zinc/12/41/16/801124116.db2.gz VRVOZJWDGYHTBF-CQSZACIVSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1coc2c1cccc2C ZINC001038342726 801124119 /nfs/dbraw/zinc/12/41/19/801124119.db2.gz VRVOZJWDGYHTBF-CQSZACIVSA-N 1 1 298.386 3.121 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C)ccc1C1CC1 ZINC001038557033 801129244 /nfs/dbraw/zinc/12/92/44/801129244.db2.gz ZAIAEUDLDIKNPU-INIZCTEOSA-N 1 1 298.430 3.253 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)c1ccsc1Cl ZINC001038772113 801134822 /nfs/dbraw/zinc/13/48/22/801134822.db2.gz FKJGDVXMTAPWGK-NSHDSACASA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccoc1C(C)C ZINC001039068349 801146534 /nfs/dbraw/zinc/14/65/34/801146534.db2.gz SYHMQJPTXMIGTO-CQSZACIVSA-N 1 1 290.407 3.173 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](C2CCN(C(=O)C=C(C)C)CC2)C1 ZINC001039103946 801148009 /nfs/dbraw/zinc/14/80/09/801148009.db2.gz LKRLMLYAIYVCEK-KRWDZBQOSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C(C)(C)F)C1 ZINC001039179045 801151489 /nfs/dbraw/zinc/15/14/89/801151489.db2.gz XUPSCPSACRHRMF-HUUCEWRRSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C2CC2)C1 ZINC001039186075 801152451 /nfs/dbraw/zinc/15/24/51/801152451.db2.gz XILVJLRDARTSIO-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C(CC)CC)C1 ZINC001039193757 801152850 /nfs/dbraw/zinc/15/28/50/801152850.db2.gz QDHILGQBECJVJV-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(CC)CCC1 ZINC001039422296 801161484 /nfs/dbraw/zinc/16/14/84/801161484.db2.gz RNCDASIWUBXNNM-CVEARBPZSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C(C)C ZINC001039447026 801162490 /nfs/dbraw/zinc/16/24/90/801162490.db2.gz YZRAVEMICJBMGU-ZACQAIPSSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC([N@@H+](CC)CC3CC3)CC2)C1 ZINC001039489122 801163474 /nfs/dbraw/zinc/16/34/74/801163474.db2.gz LUPTXOILSZHHTO-UHFFFAOYSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)C(C)(C)C)C2)C1 ZINC001041406315 801189509 /nfs/dbraw/zinc/18/95/09/801189509.db2.gz BEMJKVYMMHJFBO-MAUKXSAKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@]2(CC[N@H+](CCCC)C2)C1 ZINC001041536746 801190140 /nfs/dbraw/zinc/19/01/40/801190140.db2.gz QFTKHJXZFHGTRT-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)C(C)C)C[C@H]21 ZINC001042077494 801200344 /nfs/dbraw/zinc/20/03/44/801200344.db2.gz LMCZYJJKMCCEFN-HZPDHXFCSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(C)cc(C)c3)C[C@H]21 ZINC001042336746 801204609 /nfs/dbraw/zinc/20/46/09/801204609.db2.gz ZJLXYIJRVSVKHX-FUHWJXTLSA-N 1 1 298.430 3.026 20 30 CGEDMO C=CCC[NH+]1CC(N(C)C(=O)c2cccc(C3CCC3)c2)C1 ZINC001044188467 801229574 /nfs/dbraw/zinc/22/95/74/801229574.db2.gz JIGJMPCDUSVLQW-UHFFFAOYSA-N 1 1 298.430 3.286 20 30 CGEDMO C=C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC)c1ccccc1 ZINC001045894561 801290308 /nfs/dbraw/zinc/29/03/08/801290308.db2.gz FRJVSTMCCXJGAK-SQNIBIBYSA-N 1 1 298.430 3.041 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](C)CC)C2 ZINC001045919818 801293866 /nfs/dbraw/zinc/29/38/66/801293866.db2.gz VXICBZQEPDFQRX-AEFFLSMTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)CC)C2 ZINC001045916550 801294117 /nfs/dbraw/zinc/29/41/17/801294117.db2.gz DMBLIAYGLWVYGK-SJLPKXTDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](F)CC)C2 ZINC001045958085 801294943 /nfs/dbraw/zinc/29/49/43/801294943.db2.gz KFDDAHONUXIHAP-WBVHZDCISA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](F)CC)C2 ZINC001045958083 801295329 /nfs/dbraw/zinc/29/53/29/801295329.db2.gz KFDDAHONUXIHAP-NVXWUHKLSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)c2sccc2C)C1 ZINC001046104671 801298448 /nfs/dbraw/zinc/29/84/48/801298448.db2.gz QJMJIEYMCWIRTH-MRXNPFEDSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001046479830 801312885 /nfs/dbraw/zinc/31/28/85/801312885.db2.gz KBUCXFLTNGUEBL-IIDMSEBBSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2cc(Cl)ccc2C)C1 ZINC001046710332 801320933 /nfs/dbraw/zinc/32/09/33/801320933.db2.gz OIQJXWUWFPSDRU-MRXNPFEDSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)c2cccc(C3CCC3)c2)C1 ZINC001046771331 801324495 /nfs/dbraw/zinc/32/44/95/801324495.db2.gz OTEVIJXIYQIXGU-IBGZPJMESA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001046864422 801330149 /nfs/dbraw/zinc/33/01/49/801330149.db2.gz SNFMAFXFIVGRSQ-JMLCCBQJSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CCCCC1 ZINC001049298992 801360324 /nfs/dbraw/zinc/36/03/24/801360324.db2.gz PRRZQFGMZFYTKD-IRXDYDNUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1 ZINC001049295750 801360988 /nfs/dbraw/zinc/36/09/88/801360988.db2.gz GFWYZDDARGZQOW-MSOLQXFVSA-N 1 1 298.430 3.332 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC1CCCC1 ZINC001049304583 801361887 /nfs/dbraw/zinc/36/18/87/801361887.db2.gz QCBRZDKTZNDSTP-IRXDYDNUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccs1 ZINC001049303869 801363366 /nfs/dbraw/zinc/36/33/66/801363366.db2.gz WGWPDLZQWGPOFC-ZIAGYGMSSA-N 1 1 290.432 3.003 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(C)CCC1 ZINC001049644885 801379449 /nfs/dbraw/zinc/37/94/49/801379449.db2.gz KRRSHCODSQXUNR-JKSUJKDBSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC(C)C ZINC001049639487 801380852 /nfs/dbraw/zinc/38/08/52/801380852.db2.gz PROYXCKJKLHGLM-HOTGVXAUSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)CC ZINC001049693209 801384496 /nfs/dbraw/zinc/38/44/96/801384496.db2.gz XFEDJVLGYNNXMY-JKSUJKDBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)CC ZINC001049693372 801384711 /nfs/dbraw/zinc/38/47/11/801384711.db2.gz YKZYRXONTJXVBJ-GJZGRUSLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCCC ZINC001049699807 801385900 /nfs/dbraw/zinc/38/59/00/801385900.db2.gz MSRUVLLZWRGOPA-LZLYRXPVSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)C3CCCCC3)[C@@H]2C1 ZINC001049961940 801395842 /nfs/dbraw/zinc/39/58/42/801395842.db2.gz ZYGDQYLJKOVMAZ-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO CC[C@](C)(C#N)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256529264 806910735 /nfs/dbraw/zinc/91/07/35/806910735.db2.gz AWCLIHLKIPEFKC-BPQIPLTHSA-N 1 1 285.435 3.321 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](NC(=O)C2CCCCCC2)CC1 ZINC001052249232 801426106 /nfs/dbraw/zinc/42/61/06/801426106.db2.gz TVBXWQNJFFJXSS-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C(C)=C2CCC2)CC1 ZINC001052368657 801431915 /nfs/dbraw/zinc/43/19/15/801431915.db2.gz LNFQLAXOFZISQL-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)C23CCC(CC2)C3)CC1 ZINC001052499136 801437000 /nfs/dbraw/zinc/43/70/00/801437000.db2.gz OLZWITVVDKXCAD-PQUAAJSLSA-N 1 1 290.451 3.114 20 30 CGEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CCCC)CC2)cc1 ZINC001052615109 801440714 /nfs/dbraw/zinc/44/07/14/801440714.db2.gz FUYWYXVUXPAYDM-SFHVURJKSA-N 1 1 298.430 3.052 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC23CCC3)CC1 ZINC001052755987 801451166 /nfs/dbraw/zinc/45/11/66/801451166.db2.gz ZLBGMYUVACHLTC-JKSUJKDBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C)cc2)CC1 ZINC001052891555 801455294 /nfs/dbraw/zinc/45/52/94/801455294.db2.gz WJKMOIKIPJYYCY-KRWDZBQOSA-N 1 1 286.419 3.155 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C=C(C)C)C2)C1 ZINC001052997762 801460827 /nfs/dbraw/zinc/46/08/27/801460827.db2.gz SWYHVNVLUZQWJP-DLBZAZTESA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C(C)C)C2)C1 ZINC001053006075 801462174 /nfs/dbraw/zinc/46/21/74/801462174.db2.gz ICKUCMRDRLMHRW-IRXDYDNUSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC)C1 ZINC001053057096 801464437 /nfs/dbraw/zinc/46/44/37/801464437.db2.gz HCFGHXWHOQWNIL-SJORKVTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CCCCC1)C2 ZINC001054075568 801470386 /nfs/dbraw/zinc/47/03/86/801470386.db2.gz LRGBDNGXZOGLKD-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CCCC1)C2 ZINC001054069960 801470458 /nfs/dbraw/zinc/47/04/58/801470458.db2.gz XJVPUANSDIJMRE-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(CC)CC)C2 ZINC001054086106 801471921 /nfs/dbraw/zinc/47/19/21/801471921.db2.gz HMDZWCUVNOWGCR-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCC1CC1)C2 ZINC001054105109 801473983 /nfs/dbraw/zinc/47/39/83/801473983.db2.gz PUCSCYAJJBKRMW-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C)C(C)(C)C)C2 ZINC001054152693 801475263 /nfs/dbraw/zinc/47/52/63/801475263.db2.gz FYDRACZZYGDNSD-YJBOKZPZSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)C(C)C)C2 ZINC001054134938 801475307 /nfs/dbraw/zinc/47/53/07/801475307.db2.gz QCFHUTWGFFBPFR-SFHVURJKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(F)=C(C)C)C2 ZINC001054113975 801475666 /nfs/dbraw/zinc/47/56/66/801475666.db2.gz RTPHYBHOUIDMNP-KRWDZBQOSA-N 1 1 294.414 3.140 20 30 CGEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CC=CCC3)cc2C1 ZINC001054254903 801481078 /nfs/dbraw/zinc/48/10/78/801481078.db2.gz NKRHISROKBGURK-MRXNPFEDSA-N 1 1 296.414 3.161 20 30 CGEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CC=CCC3)cc2C1 ZINC001054254903 801481087 /nfs/dbraw/zinc/48/10/87/801481087.db2.gz NKRHISROKBGURK-MRXNPFEDSA-N 1 1 296.414 3.161 20 30 CGEDMO CCN(CCC#N)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256552216 806914722 /nfs/dbraw/zinc/91/47/22/806914722.db2.gz ZUNMYWAQDUSHEB-AEFFLSMTSA-N 1 1 285.435 3.275 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2sccc2C)CC[C@@H]1C ZINC001071315227 801526677 /nfs/dbraw/zinc/52/66/77/801526677.db2.gz UJUODKCIFNMEGU-KBPBESRZSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)CC2=CCCCC2)CC[C@H]1C ZINC001071391613 801532417 /nfs/dbraw/zinc/53/24/17/801532417.db2.gz KIJNLODZMVBZTP-NVXWUHKLSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2oc(C)cc2C)CC[C@@H]1C ZINC001071398739 801534967 /nfs/dbraw/zinc/53/49/67/801534967.db2.gz IRCPNJXKGMVEOH-ZFWWWQNUSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C(C)=C2CCCC2)CC[C@@H]1C ZINC001071427865 801536404 /nfs/dbraw/zinc/53/64/04/801536404.db2.gz RJBDKLOMVFLHRM-WMLDXEAASA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C2=CCCCCC2)CC[C@@H]1C ZINC001071457194 801536564 /nfs/dbraw/zinc/53/65/64/801536564.db2.gz GTEHFQVDQZZBAM-RDJZCZTQSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)c2sccc2Cl)CC[C@@H]1C ZINC001071525066 801540076 /nfs/dbraw/zinc/54/00/76/801540076.db2.gz JUCGDMFSXSNFOS-WDEREUQCSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2sccc2Cl)CC[C@@H]1C ZINC001071525066 801540086 /nfs/dbraw/zinc/54/00/86/801540086.db2.gz JUCGDMFSXSNFOS-WDEREUQCSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2sccc2F)CC[C@@H]1C ZINC001071491149 801540986 /nfs/dbraw/zinc/54/09/86/801540986.db2.gz XHRBQOSPJIECGB-RYUDHWBXSA-N 1 1 296.411 3.046 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)C2(C3CCC3)CCC2)CC[C@H]1C ZINC001071712043 801546868 /nfs/dbraw/zinc/54/68/68/801546868.db2.gz IIDXOMNXKFINEC-GDBMZVCRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C2(C3CC3)CCC2)CC[C@@H]1C ZINC001071709560 801548274 /nfs/dbraw/zinc/54/82/74/801548274.db2.gz ZZRLRZJSYPQWIE-GOEBONIOSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2ccccc2CC)CC[C@@H]1C ZINC001071768741 801549266 /nfs/dbraw/zinc/54/92/66/801549266.db2.gz BLYWPRWDQJAZNY-HOCLYGCPSA-N 1 1 286.419 3.018 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)C(C)(C)C2CC2)CC[C@H]1C ZINC001071757891 801549581 /nfs/dbraw/zinc/54/95/81/801549581.db2.gz WHWGERAHOWDUTR-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2occc2Cl)CC[C@@H]1C ZINC001071795612 801552590 /nfs/dbraw/zinc/55/25/90/801552590.db2.gz MJBUCVHQQVYEQI-NWDGAFQWSA-N 1 1 296.798 3.092 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C2(F)CCCCC2)CC[C@@H]1C ZINC001071963069 801557384 /nfs/dbraw/zinc/55/73/84/801557384.db2.gz DEKXXQLTMFFZAT-GJZGRUSLSA-N 1 1 296.430 3.204 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2ccc(Cl)cc2)CC[C@@H]1C ZINC001072008125 801559562 /nfs/dbraw/zinc/55/95/62/801559562.db2.gz AJRNUPURAMZSPX-SWLSCSKDSA-N 1 1 292.810 3.109 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)c2ccc(CC)cc2)CC[C@@H]1C ZINC001072041233 801560725 /nfs/dbraw/zinc/56/07/25/801560725.db2.gz VNKRTGWZEHNSRJ-WMLDXEAASA-N 1 1 286.419 3.018 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)cc2C)CC[C@H]1C ZINC001072041423 801560773 /nfs/dbraw/zinc/56/07/73/801560773.db2.gz YCPCXSISSQFYRN-CVEARBPZSA-N 1 1 286.419 3.072 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(C(C)C)c3)[C@@H]2C1 ZINC001076427457 801617412 /nfs/dbraw/zinc/61/74/12/801617412.db2.gz ZQRRFWXSLRMMPS-ZWKOTPCHSA-N 1 1 298.430 3.142 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](C2CCN(Cc3ccccc3)CC2)CC1 ZINC001256610191 806924853 /nfs/dbraw/zinc/92/48/53/806924853.db2.gz YALJXMPKDCYIBO-QGZVFWFLSA-N 1 1 297.446 3.277 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C3CCCCC3)[C@@H]2C1 ZINC001084162755 801666631 /nfs/dbraw/zinc/66/66/31/801666631.db2.gz YZYYRNVIJWFOPJ-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cscc1C ZINC001085535826 801690395 /nfs/dbraw/zinc/69/03/95/801690395.db2.gz QCKUDKYULZGXTL-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1=CCCCCC1 ZINC001085563976 801694182 /nfs/dbraw/zinc/69/41/82/801694182.db2.gz AUYBRBHHJKYHMM-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2C[C@H](F)CC)CC1 ZINC001085800700 801705973 /nfs/dbraw/zinc/70/59/73/801705973.db2.gz AFZPKTZMAPISOS-CVEARBPZSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2C[C@H](F)CC)CC1 ZINC001085800700 801705978 /nfs/dbraw/zinc/70/59/78/801705978.db2.gz AFZPKTZMAPISOS-CVEARBPZSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(Cl)c1 ZINC001085940348 801711016 /nfs/dbraw/zinc/71/10/16/801711016.db2.gz DXZDFUWYVPBAIJ-HNNXBMFYSA-N 1 1 292.810 3.062 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)oc2C)[C@H]1CC ZINC001087500816 801752770 /nfs/dbraw/zinc/75/27/70/801752770.db2.gz ZQLLCDOWPOAUQC-JKSUJKDBSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)CC=CCC2)[C@H]1CC ZINC001087584623 801756869 /nfs/dbraw/zinc/75/68/69/801756869.db2.gz PWFQVBYIMVCBST-JZXOWHBKSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](C)C2CCC2)[C@H]1CC ZINC001087620128 801758890 /nfs/dbraw/zinc/75/88/90/801758890.db2.gz RZQJCYYXNAWNAF-VHDGCEQUSA-N 1 1 298.858 3.144 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)C2CCC2)[C@H]1CC ZINC001087620128 801758894 /nfs/dbraw/zinc/75/88/94/801758894.db2.gz RZQJCYYXNAWNAF-VHDGCEQUSA-N 1 1 298.858 3.144 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C[C@H]2C=CCCC2)[C@H]1CC ZINC001087621441 801759448 /nfs/dbraw/zinc/75/94/48/801759448.db2.gz VEGBWPBTUTXPMX-YESZJQIVSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2sccc2Cl)[C@H]1C ZINC001088585159 801801039 /nfs/dbraw/zinc/80/10/39/801801039.db2.gz HDYYJTYYCHZPID-PWSUYJOCSA-N 1 1 298.839 3.170 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2sc(C)cc2C)[C@H]1C ZINC001088594365 801803731 /nfs/dbraw/zinc/80/37/31/801803731.db2.gz FGSMQPOUDCPKFY-KGLIPLIRSA-N 1 1 292.448 3.134 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC)s2)[C@H]1C ZINC001088714953 801804323 /nfs/dbraw/zinc/80/43/23/801804323.db2.gz LGJAGDFORQVYQD-OCCSQVGLSA-N 1 1 292.448 3.079 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2CCCCCCC2)[C@H]1C ZINC001088733369 801805135 /nfs/dbraw/zinc/80/51/35/801805135.db2.gz JFEVCMYCPVAUEI-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2CC3(CCC3)C2)[C@H]1C ZINC001088803025 801808213 /nfs/dbraw/zinc/80/82/13/801808213.db2.gz SJNOFDYHVIHYTF-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CC2CC(C)(C)C2)[C@H]1C ZINC001088813194 801809381 /nfs/dbraw/zinc/80/93/81/801809381.db2.gz INNAKRKKUFKZEA-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2C=CCC2)CC(C)(C)C1 ZINC001089315122 801833850 /nfs/dbraw/zinc/83/38/50/801833850.db2.gz HYOGDVCVAZTPAC-HOTGVXAUSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cccs1 ZINC001089603117 801845591 /nfs/dbraw/zinc/84/55/91/801845591.db2.gz JVUUVTHRXILMQU-CYBMUJFWSA-N 1 1 292.448 3.155 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@H]1CCc2c(cccc2OC)C1 ZINC001256649489 806940122 /nfs/dbraw/zinc/94/01/22/806940122.db2.gz CBCJISZAIDLKAK-HNNXBMFYSA-N 1 1 272.392 3.178 20 30 CGEDMO C=C(C)CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(C)=O)CC1 ZINC001093347399 801866392 /nfs/dbraw/zinc/86/63/92/801866392.db2.gz KXZRJFILDGAKBU-QGZVFWFLSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCCC2(C)C)[C@H](C)C1 ZINC001093233248 801867056 /nfs/dbraw/zinc/86/70/56/801867056.db2.gz IIIYAVJIAZIPFW-BZUAXINKSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(CNC(=O)C3CCCC3)CCC[C@@H]12 ZINC001094347806 801872247 /nfs/dbraw/zinc/87/22/47/801872247.db2.gz ZRAQGVCIWCNNGA-SJLPKXTDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1C=CCCC1)C2 ZINC001095606972 801885272 /nfs/dbraw/zinc/88/52/72/801885272.db2.gz KSLDXVODSQXLNA-YVSFHVDLSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CCC)cc1)C2 ZINC001095942029 801888490 /nfs/dbraw/zinc/88/84/90/801888490.db2.gz JSHOJWAJTGPUOU-SQNIBIBYSA-N 1 1 298.430 3.160 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cccc(C)c2)C1 ZINC001098708200 801912652 /nfs/dbraw/zinc/91/26/52/801912652.db2.gz RTGJUCPAOLQQFA-HKUYNNGSSA-N 1 1 298.430 3.155 20 30 CGEDMO C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC(C)C ZINC001098873130 801918868 /nfs/dbraw/zinc/91/88/68/801918868.db2.gz JYJXLMCRLJQXIM-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)/C=C(/C)C1CC1 ZINC001098939754 801922834 /nfs/dbraw/zinc/92/28/34/801922834.db2.gz SVCIARDQAJLVDJ-QBOMHBFWSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)C1CC1 ZINC001099001746 801923864 /nfs/dbraw/zinc/92/38/64/801923864.db2.gz WHSBOAFMTQLEQK-ZBFHGGJFSA-N 1 1 292.467 3.215 20 30 CGEDMO CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C#CC(C)(C)C ZINC001099060890 801929158 /nfs/dbraw/zinc/92/91/58/801929158.db2.gz PGMOSQIBPVEIOF-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C)cc2)C1 ZINC001099132630 801930294 /nfs/dbraw/zinc/93/02/94/801930294.db2.gz SPEIJHWJJOYXJP-HKUYNNGSSA-N 1 1 298.430 3.155 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@](C)(C=C)CC ZINC001099213338 801933540 /nfs/dbraw/zinc/93/35/40/801933540.db2.gz CEGXEXSZZSUNBK-YJBOKZPZSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCCC1(C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CC)CC1 ZINC001099214236 801934023 /nfs/dbraw/zinc/93/40/23/801934023.db2.gz ISELOIPIHJYUFS-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)CC=C ZINC001099250979 801934922 /nfs/dbraw/zinc/93/49/22/801934922.db2.gz DXGYYDHZGPEZIE-HNNXBMFYSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H](C)C(C)C)C[C@]2(C)C1 ZINC001101170491 801973345 /nfs/dbraw/zinc/97/33/45/801973345.db2.gz IDHHPQLFEGEBKR-NUJGCVRESA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H](CNC(=O)C(C)(C)F)[C@H](C)C1 ZINC001101679914 801985202 /nfs/dbraw/zinc/98/52/02/801985202.db2.gz NYEDIYCWBXMDRH-HUUCEWRRSA-N 1 1 298.446 3.165 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)CCC(C)C)[C@H](C)C1 ZINC001101711188 801986818 /nfs/dbraw/zinc/98/68/18/801986818.db2.gz QKSPCNWSSRSKNO-BRWVUGGUSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](CNC(=O)C(CC)CC)[C@H](C)C1 ZINC001101742672 801990433 /nfs/dbraw/zinc/99/04/33/801990433.db2.gz BQGOPNQNWLMKMQ-GDBMZVCRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](CNC(=O)CC2CC(C)(C)C2)[C@H](C)C1 ZINC001102272246 802003675 /nfs/dbraw/zinc/00/36/75/802003675.db2.gz PAVXGGICUMBLGU-GDBMZVCRSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCCCC(=O)NC[C@@H]1C[N@@H+](CC/C=C\CC)C[C@H]1C ZINC001102296976 802004968 /nfs/dbraw/zinc/00/49/68/802004968.db2.gz CMQWARMASZMWRF-QXUXXFOKSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C ZINC001102263046 802005108 /nfs/dbraw/zinc/00/51/08/802005108.db2.gz TVCDYMHVTJQPBZ-BFYDXBDKSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](CNC(=O)CC[C@H](C)CC)[C@H](C)C1 ZINC001102478008 802009557 /nfs/dbraw/zinc/00/95/57/802009557.db2.gz AMSAHEYUUDACPW-BRWVUGGUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)CC)C1 ZINC001102679649 802018089 /nfs/dbraw/zinc/01/80/89/802018089.db2.gz GYRSTCIWHBZKSZ-BZUAXINKSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)CC)C1 ZINC001102682938 802018194 /nfs/dbraw/zinc/01/81/94/802018194.db2.gz MBEIDJLVJPVWMQ-ARFHVFGLSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)C(C)C)C1 ZINC001103028104 802027090 /nfs/dbraw/zinc/02/70/90/802027090.db2.gz PKWITCBHIMCBIR-HZPDHXFCSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC(=C)C)C1 ZINC001103041285 802027570 /nfs/dbraw/zinc/02/75/70/802027570.db2.gz DLUZKWJDUWUGHA-IAGOWNOFSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)C(C)C)C1 ZINC001103027850 802027747 /nfs/dbraw/zinc/02/77/47/802027747.db2.gz FEVGQMHVCIGWFE-HZPDHXFCSA-N 1 1 294.483 3.319 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+](CCCF)C[C@H]1C ZINC001103308181 802029045 /nfs/dbraw/zinc/02/90/45/802029045.db2.gz XRQOYLZCBDWEIV-HUUCEWRRSA-N 1 1 298.446 3.023 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NCC[C@@H]1C[N@@H+](CCC)C[C@H]1C ZINC001103346380 802031294 /nfs/dbraw/zinc/03/12/94/802031294.db2.gz KEVMXJNHORZHGG-BZUAXINKSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NCC[C@@H]1C[N@@H+](CCCC)C[C@H]1C ZINC001103350027 802032364 /nfs/dbraw/zinc/03/23/64/802032364.db2.gz BFJVRDOVXWPECR-IXDOHACOSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCC[C@@H]1C[N@@H+](CC(C)C)C[C@H]1C ZINC001103401888 802033443 /nfs/dbraw/zinc/03/34/43/802033443.db2.gz RPMBKUMDCRSOLB-NUJGCVRESA-N 1 1 294.483 3.319 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(CCCC)CC2)C1 ZINC001103403023 802033499 /nfs/dbraw/zinc/03/34/99/802033499.db2.gz WWDCKDYYCNCVEU-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)CC(C)C)C1 ZINC001103621755 802037207 /nfs/dbraw/zinc/03/72/07/802037207.db2.gz BYWSWIKWGAGPPG-BRWVUGGUSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)CCC)C1 ZINC001103580486 802037608 /nfs/dbraw/zinc/03/76/08/802037608.db2.gz MBEWGDAUBGMDIT-BZUAXINKSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(CC)CC)C1 ZINC001103737077 802039024 /nfs/dbraw/zinc/03/90/24/802039024.db2.gz YJUULAGCGZUCQL-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)CC)CCC[C@@H]12 ZINC001107286601 802083247 /nfs/dbraw/zinc/08/32/47/802083247.db2.gz NVLKLHBUPKUVQZ-LZLYRXPVSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(CNC(=O)CCC(=C)C)CCC[C@@H]12 ZINC001107424565 802086893 /nfs/dbraw/zinc/08/68/93/802086893.db2.gz VHGPVNPEVOUFIJ-SJLPKXTDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)C(C)C)CCC[C@@H]12 ZINC001107421049 802087107 /nfs/dbraw/zinc/08/71/07/802087107.db2.gz WGYOGPLIUWFKEL-CRAIPNDOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)CCC)C2 ZINC001109084632 802108973 /nfs/dbraw/zinc/10/89/73/802108973.db2.gz YYYIBVUKQONTAU-WCVJEAGWSA-N 1 1 278.440 3.110 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1 ZINC001109596397 802117062 /nfs/dbraw/zinc/11/70/62/802117062.db2.gz PAYRUWMFNGDQLB-PMPSAXMXSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@]1(C)C=CCC1)C2 ZINC001109607289 802118177 /nfs/dbraw/zinc/11/81/77/802118177.db2.gz RDKUAEIQHFMATF-CVYDXHPNSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C=C)CC)C2 ZINC001109634537 802120335 /nfs/dbraw/zinc/12/03/35/802120335.db2.gz PLMDRSDFOSXGDM-NCOADZHNSA-N 1 1 290.451 3.276 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)CC)C2 ZINC001109660807 802120707 /nfs/dbraw/zinc/12/07/07/802120707.db2.gz FZXCUYYOVYIAFR-WCVJEAGWSA-N 1 1 292.467 3.499 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CC=C)CCC1)C2 ZINC001109680322 802122154 /nfs/dbraw/zinc/12/21/54/802122154.db2.gz CWUFZRYTZUSRTP-PMPSAXMXSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)/C(C)=C\CC)C2 ZINC001110349101 802138738 /nfs/dbraw/zinc/13/87/38/802138738.db2.gz HRRADUYUZDHLMK-GDHXBJKVSA-N 1 1 290.451 3.419 20 30 CGEDMO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C)CC1)C2 ZINC001110579966 802145083 /nfs/dbraw/zinc/14/50/83/802145083.db2.gz QZIOXAUFRNXNAT-OAGGEKHMSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C1CCC1)C2 ZINC001110706042 802147541 /nfs/dbraw/zinc/14/75/41/802147541.db2.gz RRIYCMAEYNUAFX-DZUCGIPZSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](C)CC ZINC001110890811 802149303 /nfs/dbraw/zinc/14/93/03/802149303.db2.gz ISDZDPUENHWTIT-FPCVCCKLSA-N 1 1 292.467 3.356 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(=C)C ZINC001110933323 802150037 /nfs/dbraw/zinc/15/00/37/802150037.db2.gz JOVOZIUBWBTVAK-HZMVEIRTSA-N 1 1 290.451 3.276 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(C)C)CCC1 ZINC001110987468 802152474 /nfs/dbraw/zinc/15/24/74/802152474.db2.gz QUBCJJDKPJQIMV-OAGGEKHMSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(CC=C)CCC1)C2 ZINC001110986967 802152607 /nfs/dbraw/zinc/15/26/07/802152607.db2.gz CWUFZRYTZUSRTP-OAGGEKHMSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C)cc1)C2 ZINC001111314676 802157897 /nfs/dbraw/zinc/15/78/97/802157897.db2.gz MUEDNFAJMIJMAD-KURKYZTESA-N 1 1 298.430 3.296 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC)CCCC1 ZINC001111523349 802160152 /nfs/dbraw/zinc/16/01/52/802160152.db2.gz VSBUEURGIGYVSA-OAGGEKHMSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC(C)(C)C)C1 ZINC001111591537 802162999 /nfs/dbraw/zinc/16/29/99/802162999.db2.gz SGRXMDMDNBPUNU-YJBOKZPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(F)=C(C)C)C1 ZINC001111702990 802167360 /nfs/dbraw/zinc/16/73/60/802167360.db2.gz ZYZZMDWAKSHDCE-YOEHRIQHSA-N 1 1 294.414 3.187 20 30 CGEDMO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](C[C@@H](F)CC)C2 ZINC001111859232 802170144 /nfs/dbraw/zinc/17/01/44/802170144.db2.gz VVFNXBDZSDYQML-ZOBUZTSGSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)CC(=C)C)C1 ZINC001111850302 802170677 /nfs/dbraw/zinc/17/06/77/802170677.db2.gz IWXJUPQYALIPGX-RYRKJORJSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC2(C)CC2)C1 ZINC001111924145 802172285 /nfs/dbraw/zinc/17/22/85/802172285.db2.gz TTZMMAAFIOQGKV-YJBOKZPZSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)CCC)C1 ZINC001111916750 802172899 /nfs/dbraw/zinc/17/28/99/802172899.db2.gz DOWIPZWQGNGVQK-RYRKJORJSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCCCCC[NH+]1CCN(C(=O)c2occc2C)CC1 ZINC001112611411 802182766 /nfs/dbraw/zinc/18/27/66/802182766.db2.gz WRRNCAVLOOJZTJ-UHFFFAOYSA-N 1 1 292.423 3.316 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)CCCC ZINC001113910819 802236560 /nfs/dbraw/zinc/23/65/60/802236560.db2.gz KPNFDKIQKXXUJJ-BYNSBNAKSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)CCCC ZINC001113910819 802236565 /nfs/dbraw/zinc/23/65/65/802236565.db2.gz KPNFDKIQKXXUJJ-BYNSBNAKSA-N 1 1 298.858 3.002 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)C1CC1 ZINC001114103852 802238230 /nfs/dbraw/zinc/23/82/30/802238230.db2.gz REZJMLMZMYXAHD-SIXLDLHFSA-N 1 1 292.467 3.049 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](CC)C(C)(C)C ZINC001115113134 802252982 /nfs/dbraw/zinc/25/29/82/802252982.db2.gz FZHLNXDUSITURF-LJIGWXMPSA-N 1 1 292.467 3.071 20 30 CGEDMO CCCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC)C[C@H]21 ZINC001115165154 802254507 /nfs/dbraw/zinc/25/45/07/802254507.db2.gz BMWDYUHSOOOICB-QLPKVWCKSA-N 1 1 280.456 3.193 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)C(C)(C)C ZINC001115174497 802254620 /nfs/dbraw/zinc/25/46/20/802254620.db2.gz RVBLEMHOGJRMRP-LJIGWXMPSA-N 1 1 292.467 3.071 20 30 CGEDMO CCCCCCC[C@H](CC)[N@@H+](C)CC(=O)NCC ZINC001172358859 808254429 /nfs/dbraw/zinc/25/44/29/808254429.db2.gz SHXIVOAPHFEKEE-AWEZNQCLSA-N 1 1 256.434 3.193 20 30 CGEDMO C#CCOCC[N@H+](C)[C@H](C)c1cccc(Cl)c1F ZINC001116675367 802395531 /nfs/dbraw/zinc/39/55/31/802395531.db2.gz CLPDXIWPQIIYCD-LLVKDONJSA-N 1 1 269.747 3.122 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CC[C@](CF)(C(F)(F)F)C1 ZINC001172491142 808350519 /nfs/dbraw/zinc/35/05/19/808350519.db2.gz CCZFQNKYZYCUFH-GHMZBOCLSA-N 1 1 266.282 3.293 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@](C)(CNC(=O)CC2CC2)C1 ZINC001270932824 808755048 /nfs/dbraw/zinc/75/50/48/808755048.db2.gz PHZXPRJUBFUBET-QAPCUYQASA-N 1 1 292.467 3.360 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CC[C@]2(CCN(C)C2=O)C1 ZINC001273107825 808833219 /nfs/dbraw/zinc/83/32/19/808833219.db2.gz GDWRYKNMJBVPAZ-QZEKMECESA-N 1 1 292.467 3.457 20 30 CGEDMO CC1(C)CCC[N@H+]1CCNC1CC(C#N)(c2ccccc2)C1 ZINC001117747936 802485753 /nfs/dbraw/zinc/48/57/53/802485753.db2.gz MMGHCCQGTNSUSH-UHFFFAOYSA-N 1 1 297.446 3.074 20 30 CGEDMO CC1(C)CCCN1CC[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC001117747936 802485759 /nfs/dbraw/zinc/48/57/59/802485759.db2.gz MMGHCCQGTNSUSH-UHFFFAOYSA-N 1 1 297.446 3.074 20 30 CGEDMO C=C(Cl)COc1ccc([C@H](C)NC[C@H](C)C[NH2+]C)cc1 ZINC001118057650 802521258 /nfs/dbraw/zinc/52/12/58/802521258.db2.gz FTWKTDUZXYTASU-OCCSQVGLSA-N 1 1 296.842 3.324 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001118631471 802590559 /nfs/dbraw/zinc/59/05/59/802590559.db2.gz VHMUXWHOCXVUGM-MRXNPFEDSA-N 1 1 283.419 3.412 20 30 CGEDMO C#C[C@H]([NH2+]Cc1csc(C(F)(F)F)c1)[C@H]1CCCO1 ZINC001118804266 802605222 /nfs/dbraw/zinc/60/52/22/802605222.db2.gz DZRRPVSSCDDIGO-WDEREUQCSA-N 1 1 289.322 3.037 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2[C@H](O)c2ccccc2)s1 ZINC001119260111 802640596 /nfs/dbraw/zinc/64/05/96/802640596.db2.gz YEBGDDWHRWWCFH-DLBZAZTESA-N 1 1 298.411 3.318 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2nc3ccc(F)cc3s2)C1 ZINC001180317145 809991443 /nfs/dbraw/zinc/99/14/43/809991443.db2.gz BWJVYDJOHWJVIC-LBPRGKRZSA-N 1 1 292.379 3.212 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2nc3ccc(F)cc3s2)C1 ZINC001180317145 809991445 /nfs/dbraw/zinc/99/14/45/809991445.db2.gz BWJVYDJOHWJVIC-LBPRGKRZSA-N 1 1 292.379 3.212 20 30 CGEDMO CC(C)[C@@]1(CO)CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001119781267 802699703 /nfs/dbraw/zinc/69/97/03/802699703.db2.gz SEYIDXPPTLASQC-INIZCTEOSA-N 1 1 292.810 3.052 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCOCC3(CCC3)C2)CCC1 ZINC001119815916 802700668 /nfs/dbraw/zinc/70/06/68/802700668.db2.gz DIAZLYYXFLLXKQ-UHFFFAOYSA-N 1 1 276.424 3.353 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CCF)C1 ZINC001120423441 802744951 /nfs/dbraw/zinc/74/49/51/802744951.db2.gz UOAFJZZQIZRENE-HOTGVXAUSA-N 1 1 296.430 3.015 20 30 CGEDMO N#C[C@H](N[C@H]1CCC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC001256898441 807003368 /nfs/dbraw/zinc/00/33/68/807003368.db2.gz ZWQZRTDDORGXRG-WMZOPIPTSA-N 1 1 283.419 3.248 20 30 CGEDMO CC1(C)CC(=O)C=C(N[C@@H]2CCC[N@H+](C3CCCC3)C2)C1 ZINC001256903677 807005604 /nfs/dbraw/zinc/00/56/04/807005604.db2.gz CPPXOXMLMVPOMC-CQSZACIVSA-N 1 1 290.451 3.256 20 30 CGEDMO N#C[C@H]1CC=C(c2cccc(CN3CCC([NH3+])CC3)c2)CC1 ZINC001243796734 803014660 /nfs/dbraw/zinc/01/46/60/803014660.db2.gz YKFSXQMEIIDSEY-HNNXBMFYSA-N 1 1 295.430 3.317 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC001205031700 812832976 /nfs/dbraw/zinc/83/29/76/812832976.db2.gz GYXGJSHERVWPHY-INIZCTEOSA-N 1 1 259.393 3.490 20 30 CGEDMO CCCC=CNc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001210058533 814269491 /nfs/dbraw/zinc/26/94/91/814269491.db2.gz XYQFYOAQMAPJNA-FNORWQNLSA-N 1 1 261.394 3.333 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)CCCC)CC[C@H]1C ZINC001131856319 803351022 /nfs/dbraw/zinc/35/10/22/803351022.db2.gz KYVPAXZHPOQBKG-CABCVRRESA-N 1 1 266.429 3.112 20 30 CGEDMO C=CCCC[N@H+]1C[C@H](NC(=O)CCSCC)CC[C@H]1C ZINC001131847389 803352185 /nfs/dbraw/zinc/35/21/85/803352185.db2.gz CAYCRYXHHJVWAG-HUUCEWRRSA-N 1 1 298.496 3.065 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001131899948 803356089 /nfs/dbraw/zinc/35/60/89/803356089.db2.gz RGQWDKMGVXTCJH-WBVHZDCISA-N 1 1 286.419 3.122 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](NC(=O)C=C(CC)CC)CC[C@H]1C ZINC001131987506 803364659 /nfs/dbraw/zinc/36/46/59/803364659.db2.gz BPDJUWQTPWNBCV-ZBFHGGJFSA-N 1 1 278.440 3.278 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCC(C)(C)C)C1 ZINC001132003764 803366132 /nfs/dbraw/zinc/36/61/32/803366132.db2.gz ZLEBJIJDTBDNNM-HZPDHXFCSA-N 1 1 292.467 3.195 20 30 CGEDMO CCCCCC[N@H+]1C[C@@H](NC(=O)C#CC(C)C)CC[C@@H]1C ZINC001132024115 803368388 /nfs/dbraw/zinc/36/83/88/803368388.db2.gz CZZDWAZZBQBAEO-IRXDYDNUSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCCC[N@H+]1C[C@H](NC(=O)/C=C(\C)CC)CC[C@H]1C ZINC001132041925 803369859 /nfs/dbraw/zinc/36/98/59/803369859.db2.gz NEKGXRMEHCMBGA-XRZYUTHKSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](CCC2CC2)C1 ZINC001132060136 803371845 /nfs/dbraw/zinc/37/18/45/803371845.db2.gz AGVWOQYZNDTVKP-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(C)C)C1 ZINC001132060611 803372161 /nfs/dbraw/zinc/37/21/61/803372161.db2.gz IMTDYYXJPCDVCB-GJZGRUSLSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)CC(C)=C(C)C)CC[C@@H]1C ZINC001132223941 803381410 /nfs/dbraw/zinc/38/14/10/803381410.db2.gz IGVFPDHIRWHCKT-JKSUJKDBSA-N 1 1 278.440 3.278 20 30 CGEDMO CC#CC[N@H+]1C[C@H](NC(=O)CCCCC(C)C)CC[C@H]1C ZINC001132369075 803397422 /nfs/dbraw/zinc/39/74/22/803397422.db2.gz UEUKXXOIUIBWQZ-IAGOWNOFSA-N 1 1 292.467 3.195 20 30 CGEDMO CC#CC[N@H+]1C[C@H](NC(=O)C(C)(C)CC(C)C)CC[C@H]1C ZINC001132416837 803402366 /nfs/dbraw/zinc/40/23/66/803402366.db2.gz NGTFVEQGSQOSPG-HZPDHXFCSA-N 1 1 292.467 3.051 20 30 CGEDMO C#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)CC(C)(C)C)CC[C@H]1C ZINC001132505375 803409295 /nfs/dbraw/zinc/40/92/95/803409295.db2.gz RVVOYBMMVOACMG-CABCVRRESA-N 1 1 292.467 3.051 20 30 CGEDMO C#CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)CC(C)(C)C)CC[C@H]1C ZINC001132505375 803409298 /nfs/dbraw/zinc/40/92/98/803409298.db2.gz RVVOYBMMVOACMG-CABCVRRESA-N 1 1 292.467 3.051 20 30 CGEDMO C[N@@H+](Cc1ccc(-c2cccc(C#N)c2F)nc1)C1CC1 ZINC001245067665 803629484 /nfs/dbraw/zinc/62/94/84/803629484.db2.gz BNEISXPOGZOMCE-UHFFFAOYSA-N 1 1 281.334 3.354 20 30 CGEDMO C=CC[NH+]1CCN(Cc2cc3c(cccc3Cl)[nH]2)CC1 ZINC001136861025 803655795 /nfs/dbraw/zinc/65/57/95/803655795.db2.gz LSDKZHBICCFEBD-UHFFFAOYSA-N 1 1 289.810 3.125 20 30 CGEDMO C=CC[N@H+](Cc1cnc2cc(C)ccn12)C(C)(C)C ZINC001136892712 803659155 /nfs/dbraw/zinc/65/91/55/803659155.db2.gz PLEMRSCWWOSAOQ-UHFFFAOYSA-N 1 1 257.381 3.429 20 30 CGEDMO N#CCOc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)cc1 ZINC001137115491 803684687 /nfs/dbraw/zinc/68/46/87/803684687.db2.gz QXKTWVLXOGDCRZ-OKILXGFUSA-N 1 1 292.329 3.066 20 30 CGEDMO Cc1csc(C[N@H+]2CCc3ccc(C#N)cc3C2)c1 ZINC001137153547 803690740 /nfs/dbraw/zinc/69/07/40/803690740.db2.gz YQHPVWLZOWUDMW-UHFFFAOYSA-N 1 1 268.385 3.487 20 30 CGEDMO Cc1cccc(C)c1C[NH+]1CC(Oc2ccccc2C#N)C1 ZINC001137854157 803784557 /nfs/dbraw/zinc/78/45/57/803784557.db2.gz KNJSBIJNXHTPBJ-UHFFFAOYSA-N 1 1 292.382 3.438 20 30 CGEDMO CC(=O)C[N@@H+](C)Cc1ccc(C#Cc2ccccc2)cc1 ZINC001138335537 803898537 /nfs/dbraw/zinc/89/85/37/803898537.db2.gz VMZTVRRXXHYCMU-UHFFFAOYSA-N 1 1 277.367 3.107 20 30 CGEDMO CC(=O)C[N@H+](C)Cc1ccc(C#Cc2ccccc2)cc1 ZINC001138335537 803898546 /nfs/dbraw/zinc/89/85/46/803898546.db2.gz VMZTVRRXXHYCMU-UHFFFAOYSA-N 1 1 277.367 3.107 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2C)cc1OC ZINC001138345415 803899688 /nfs/dbraw/zinc/89/96/88/803899688.db2.gz FUIOEIPRRSJXCJ-LSDHHAIUSA-N 1 1 287.403 3.328 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2c[nH]c3ccc(OC)cc23)C1 ZINC001138510063 803954629 /nfs/dbraw/zinc/95/46/29/803954629.db2.gz NDGZLRZPRYIIBW-CYBMUJFWSA-N 1 1 268.360 3.022 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@@H]2C(C)(C)OC)cc1 ZINC001138557381 803966246 /nfs/dbraw/zinc/96/62/46/803966246.db2.gz JBJNISJLUCUTFN-QGZVFWFLSA-N 1 1 287.403 3.088 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCc3c(F)cccc3C2)cc1 ZINC001138559819 803968358 /nfs/dbraw/zinc/96/83/58/803968358.db2.gz CQPKMVUTYIWGEP-UHFFFAOYSA-N 1 1 295.357 3.396 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCc3c(F)cccc3C2)cc1 ZINC001138559819 803968364 /nfs/dbraw/zinc/96/83/64/803968364.db2.gz CQPKMVUTYIWGEP-UHFFFAOYSA-N 1 1 295.357 3.396 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2CC[C@@H](C)[C@](C)(O)CC2)c1O ZINC001138625912 803983854 /nfs/dbraw/zinc/98/38/54/803983854.db2.gz WVUZDFMRXZFDKU-RDTXWAMCSA-N 1 1 289.419 3.104 20 30 CGEDMO C=CCc1cccc(C[N@@H+](CC2CC2)C2CC2)c1O ZINC001138629733 803985479 /nfs/dbraw/zinc/98/54/79/803985479.db2.gz HJGQWYXESCJVQB-UHFFFAOYSA-N 1 1 257.377 3.495 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001138664929 803997024 /nfs/dbraw/zinc/99/70/24/803997024.db2.gz AUYGBQOTDFTARS-FUHWJXTLSA-N 1 1 287.403 3.252 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CCOC[C@H]1C(C)C ZINC001138665724 803997941 /nfs/dbraw/zinc/99/79/41/803997941.db2.gz VMGHXYNDYIKVMT-KRWDZBQOSA-N 1 1 289.419 3.498 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1CCOC[C@H]1C(C)C ZINC001138665724 803997949 /nfs/dbraw/zinc/99/79/49/803997949.db2.gz VMGHXYNDYIKVMT-KRWDZBQOSA-N 1 1 289.419 3.498 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CC[C@]12CCOC2 ZINC001138666536 803998413 /nfs/dbraw/zinc/99/84/13/803998413.db2.gz WUJWIEIBIUAFDW-QGZVFWFLSA-N 1 1 273.376 3.006 20 30 CGEDMO CC1(C#N)CC[NH+](Cc2cnc3[nH]ccc3c2Cl)CC1 ZINC001138936694 804077102 /nfs/dbraw/zinc/07/71/02/804077102.db2.gz SWIYZTNUUDPGNF-UHFFFAOYSA-N 1 1 288.782 3.294 20 30 CGEDMO CCCCOc1cccc(C[NH+]2CC(CC#N)C2)c1 ZINC001138952639 804080692 /nfs/dbraw/zinc/08/06/92/804080692.db2.gz SWNDYFDODOBEKY-UHFFFAOYSA-N 1 1 258.365 3.211 20 30 CGEDMO CCCCCCCCCc1cc(=O)n(CC[NH+](C)C)[nH]1 ZINC001245953496 804088484 /nfs/dbraw/zinc/08/84/84/804088484.db2.gz IRERFQLFUGIDFS-UHFFFAOYSA-N 1 1 281.444 3.443 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[NH2+][C@H]1CCCNC1 ZINC001245978240 804094333 /nfs/dbraw/zinc/09/43/33/804094333.db2.gz ACPCKWBWARITIP-DLBZAZTESA-N 1 1 284.488 3.220 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[N@H+](CC)CCN ZINC001246052959 804105288 /nfs/dbraw/zinc/10/52/88/804105288.db2.gz PFSXFYQUEABCHP-MRXNPFEDSA-N 1 1 272.477 3.159 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[N@@H+](CC)CCN ZINC001246052959 804105292 /nfs/dbraw/zinc/10/52/92/804105292.db2.gz PFSXFYQUEABCHP-MRXNPFEDSA-N 1 1 272.477 3.159 20 30 CGEDMO C#CC(CC)(CC)N[C@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246073265 804110824 /nfs/dbraw/zinc/11/08/24/804110824.db2.gz WGPHNZCYCGKIHJ-ZWKOTPCHSA-N 1 1 284.447 3.131 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@H]1c1cnccn1 ZINC001139029547 804115039 /nfs/dbraw/zinc/11/50/39/804115039.db2.gz DBNWMKUJYATKQN-KRWDZBQOSA-N 1 1 295.386 3.379 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@H]1c1cnccn1 ZINC001139029547 804115041 /nfs/dbraw/zinc/11/50/41/804115041.db2.gz DBNWMKUJYATKQN-KRWDZBQOSA-N 1 1 295.386 3.379 20 30 CGEDMO CCCCCCCC[C@H](CC)[NH2+]C[C@@]12CN[C@@H](CO1)C2 ZINC001246144092 804166969 /nfs/dbraw/zinc/16/69/69/804166969.db2.gz BIKMAEWXEQXJNT-BBWFWOEESA-N 1 1 282.472 3.236 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)nc2)CC1 ZINC001139344639 804179741 /nfs/dbraw/zinc/17/97/41/804179741.db2.gz IGSXOBDAYFGISA-INIZCTEOSA-N 1 1 298.434 3.198 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-n2ccnc2)cc1 ZINC001139362891 804182858 /nfs/dbraw/zinc/18/28/58/804182858.db2.gz QQZMUAMUHZNLPK-XGWQRUHWSA-N 1 1 292.386 3.139 20 30 CGEDMO C[C@@H]1CC[N@H+]1Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139426961 804188355 /nfs/dbraw/zinc/18/83/55/804188355.db2.gz OWOSZHHSXYRETQ-CYBMUJFWSA-N 1 1 279.343 3.340 20 30 CGEDMO CCCOC1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC001139651241 804244394 /nfs/dbraw/zinc/24/43/94/804244394.db2.gz MKCMWQLXIOPBSJ-UHFFFAOYSA-N 1 1 276.355 3.088 20 30 CGEDMO C[N@H+](CCc1ccccn1)Cc1cccc(Cl)c1C#N ZINC001139688805 804254353 /nfs/dbraw/zinc/25/43/53/804254353.db2.gz BBWCGSOXWDELMI-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO C[N@@H+](CCc1ccccn1)Cc1cccc(Cl)c1C#N ZINC001139688805 804254359 /nfs/dbraw/zinc/25/43/59/804254359.db2.gz BBWCGSOXWDELMI-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO CO[C@H]1CCC[N@H+](Cc2cccc(Cl)c2C#N)CC1 ZINC001139691866 804255955 /nfs/dbraw/zinc/25/59/55/804255955.db2.gz HRQYGGNQJLIWDG-ZDUSSCGKSA-N 1 1 278.783 3.213 20 30 CGEDMO CO[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2C#N)CC1 ZINC001139691866 804255963 /nfs/dbraw/zinc/25/59/63/804255963.db2.gz HRQYGGNQJLIWDG-ZDUSSCGKSA-N 1 1 278.783 3.213 20 30 CGEDMO N#Cc1c(Cl)cccc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC001139693747 804256629 /nfs/dbraw/zinc/25/66/29/804256629.db2.gz QUGREJUIFPHTOL-MRXNPFEDSA-N 1 1 290.794 3.214 20 30 CGEDMO N#Cc1c(Cl)cccc1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC001139693747 804256634 /nfs/dbraw/zinc/25/66/34/804256634.db2.gz QUGREJUIFPHTOL-MRXNPFEDSA-N 1 1 290.794 3.214 20 30 CGEDMO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]c2c1cccc2C#N ZINC001139706996 804261430 /nfs/dbraw/zinc/26/14/30/804261430.db2.gz MWFQTRJDYLWIJO-XYPWUTKMSA-N 1 1 295.386 3.181 20 30 CGEDMO N#Cc1cccc2c(C[N@H+]3CCC[C@]4(CCOC4)C3)c[nH]c21 ZINC001139704786 804261639 /nfs/dbraw/zinc/26/16/39/804261639.db2.gz YBBTXNLIZISGAJ-SFHVURJKSA-N 1 1 295.386 3.042 20 30 CGEDMO N#CCC[N@H+](Cc1cnc2cccnc2c1)C1CCCC1 ZINC001139740983 804272360 /nfs/dbraw/zinc/27/23/60/804272360.db2.gz GPAUZJAPOLSCQR-UHFFFAOYSA-N 1 1 280.375 3.288 20 30 CGEDMO N#CCC[N@@H+](Cc1cnc2cccnc2c1)C1CCCC1 ZINC001139740983 804272365 /nfs/dbraw/zinc/27/23/65/804272365.db2.gz GPAUZJAPOLSCQR-UHFFFAOYSA-N 1 1 280.375 3.288 20 30 CGEDMO C=CCn1cc(C[N@H+]2CCC[C@@H]2c2ccc(C)nc2)cn1 ZINC001139771424 804277280 /nfs/dbraw/zinc/27/72/80/804277280.db2.gz ZNYVVVQDHAIYHE-QGZVFWFLSA-N 1 1 282.391 3.110 20 30 CGEDMO C=CCn1cc(C[N@@H+]2CCC[C@@H]2c2ccc(C)nc2)cn1 ZINC001139771424 804277288 /nfs/dbraw/zinc/27/72/88/804277288.db2.gz ZNYVVVQDHAIYHE-QGZVFWFLSA-N 1 1 282.391 3.110 20 30 CGEDMO C=CCn1cc(C[N@@H+]2CCC[C@H]2c2ccccc2OC)cn1 ZINC001139770514 804278678 /nfs/dbraw/zinc/27/86/78/804278678.db2.gz QENUTIZOYVYTGU-KRWDZBQOSA-N 1 1 297.402 3.415 20 30 CGEDMO C=CCn1cc(C[N@H+]2Cc3ccccc3[C@H](C)C2)cn1 ZINC001139766625 804278759 /nfs/dbraw/zinc/27/87/59/804278759.db2.gz RMOHGPDNQBHOAB-CQSZACIVSA-N 1 1 267.376 3.188 20 30 CGEDMO C=CCn1cc(C[N@H+](CC)Cc2ccc(F)cc2)cn1 ZINC001139772726 804280208 /nfs/dbraw/zinc/28/02/08/804280208.db2.gz PYVQZMOLOZJMOG-UHFFFAOYSA-N 1 1 273.355 3.230 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc3cnccc3c2)no1 ZINC001212324952 815005390 /nfs/dbraw/zinc/00/53/90/815005390.db2.gz CYCLZZQKKYTBCF-HNNXBMFYSA-N 1 1 292.342 3.088 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(F)c(C)c2F)no1 ZINC001212325611 815006030 /nfs/dbraw/zinc/00/60/30/815006030.db2.gz XILGBCSKLPBHMG-LBPRGKRZSA-N 1 1 291.301 3.127 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](F)C(F)(F)CC2)c(F)c1 ZINC001140135227 804384784 /nfs/dbraw/zinc/38/47/84/804384784.db2.gz YHQLAFZFMBHHKW-ZDUSSCGKSA-N 1 1 286.272 3.267 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](F)C(F)(F)CC2)c(F)c1 ZINC001140135227 804384789 /nfs/dbraw/zinc/38/47/89/804384789.db2.gz YHQLAFZFMBHHKW-ZDUSSCGKSA-N 1 1 286.272 3.267 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](F)CC2)c(F)c1 ZINC001140136019 804385201 /nfs/dbraw/zinc/38/52/01/804385201.db2.gz DGYQZYSIIBBWRM-CYBMUJFWSA-N 1 1 250.292 3.021 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1c[nH]c2cccc(O)c12 ZINC001140233273 804403320 /nfs/dbraw/zinc/40/33/20/804403320.db2.gz LJYZKBPGYSOTFO-UHFFFAOYSA-N 1 1 271.364 3.389 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1c[nH]c2cccc(O)c12 ZINC001140233273 804403326 /nfs/dbraw/zinc/40/33/26/804403326.db2.gz LJYZKBPGYSOTFO-UHFFFAOYSA-N 1 1 271.364 3.389 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@@H+]1CCCC[C@](O)(CN)C1 ZINC001246564950 804414149 /nfs/dbraw/zinc/41/41/49/804414149.db2.gz XUMOTVUFWGGFBU-SJORKVTESA-N 1 1 284.488 3.301 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CCCC[C@](O)(CN)C1 ZINC001246564950 804414153 /nfs/dbraw/zinc/41/41/53/804414153.db2.gz XUMOTVUFWGGFBU-SJORKVTESA-N 1 1 284.488 3.301 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1CCC(F)(F)[C@@H](N)C1 ZINC001246584842 804428710 /nfs/dbraw/zinc/42/87/10/804428710.db2.gz VFIGWVUJDVBQNK-OLZOCXBDSA-N 1 1 262.388 3.404 20 30 CGEDMO CCCCCCCC[C@@H](CC)[N@H+]1CCN[C@@H](COC)C1 ZINC001246590972 804434205 /nfs/dbraw/zinc/43/42/05/804434205.db2.gz FPXRRGHDUDXAPV-IAGOWNOFSA-N 1 1 284.488 3.436 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@H+](Cc1ccc(Cl)cc1O)CC2 ZINC001140462998 804440999 /nfs/dbraw/zinc/44/09/99/804440999.db2.gz RKWVDRLOSBRCIX-UHFFFAOYSA-N 1 1 298.773 3.476 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@@H+](Cc1ccc(Cl)cc1O)CC2 ZINC001140462998 804441002 /nfs/dbraw/zinc/44/10/02/804441002.db2.gz RKWVDRLOSBRCIX-UHFFFAOYSA-N 1 1 298.773 3.476 20 30 CGEDMO COc1cc(F)cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1 ZINC001140483703 804445390 /nfs/dbraw/zinc/44/53/90/804445390.db2.gz ZAWDAEIOHZJXFH-UWEBFBLFSA-N 1 1 274.339 3.101 20 30 CGEDMO COc1ccc([C@H](C)[N@@H+](C)Cc2ccc(C#N)nc2)cc1 ZINC001140545953 804457639 /nfs/dbraw/zinc/45/76/39/804457639.db2.gz QTQMYXINZOALGN-ZDUSSCGKSA-N 1 1 281.359 3.155 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccccc2)cn1 ZINC001140543419 804458500 /nfs/dbraw/zinc/45/85/00/804458500.db2.gz NZHAVRVISYNLFF-QGZVFWFLSA-N 1 1 263.344 3.290 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C#N)nc1)[C@@H]1CCc2ccccc21 ZINC001140544440 804458561 /nfs/dbraw/zinc/45/85/61/804458561.db2.gz PBHKOTBKCNAACB-LJQANCHMSA-N 1 1 287.366 3.076 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(C#N)nc1)[C@@H]1CCc2ccccc21 ZINC001140544440 804458563 /nfs/dbraw/zinc/45/85/63/804458563.db2.gz PBHKOTBKCNAACB-LJQANCHMSA-N 1 1 287.366 3.076 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC001140568262 804462972 /nfs/dbraw/zinc/46/29/72/804462972.db2.gz XJWGGDJMVMWIPM-NSHDSACASA-N 1 1 251.732 3.324 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cccc(F)c2Cl)C1 ZINC001140568262 804462976 /nfs/dbraw/zinc/46/29/76/804462976.db2.gz XJWGGDJMVMWIPM-NSHDSACASA-N 1 1 251.732 3.324 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1c([O-])cc(F)cc1F ZINC001140585971 804468575 /nfs/dbraw/zinc/46/85/75/804468575.db2.gz XUUNMXMXYHCKAC-UHFFFAOYSA-N 1 1 288.297 3.174 20 30 CGEDMO CCCCCCC[C@@H](CC(C)C)[N@H+]1CCNC[C@H]1CO ZINC001246694458 804499524 /nfs/dbraw/zinc/49/95/24/804499524.db2.gz IKHNGIVAYNVGJM-IRXDYDNUSA-N 1 1 284.488 3.028 20 30 CGEDMO C[C@H]1CCCC[N@@H+](Cc2cc(F)c(C#N)c(F)c2)C1 ZINC001140750887 804504791 /nfs/dbraw/zinc/50/47/91/804504791.db2.gz BBEPLTSMZRCNAZ-NSHDSACASA-N 1 1 264.319 3.458 20 30 CGEDMO O=C1C=C2C[N@@H+](Cc3coc4ccccc34)CC[C@H]2S1 ZINC001140783115 804513998 /nfs/dbraw/zinc/51/39/98/804513998.db2.gz KAPYZQZQUXPGAG-OAHLLOKOSA-N 1 1 285.368 3.207 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3coc4ccccc34)CC[C@H]2S1 ZINC001140783115 804514002 /nfs/dbraw/zinc/51/40/02/804514002.db2.gz KAPYZQZQUXPGAG-OAHLLOKOSA-N 1 1 285.368 3.207 20 30 CGEDMO O=C1C=C2C[N@@H+](Cc3coc4ccccc34)CCC2S1 ZINC001140783115 804514004 /nfs/dbraw/zinc/51/40/04/804514004.db2.gz KAPYZQZQUXPGAG-OAHLLOKOSA-N 1 1 285.368 3.207 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3coc4ccccc34)CCC2S1 ZINC001140783115 804514008 /nfs/dbraw/zinc/51/40/08/804514008.db2.gz KAPYZQZQUXPGAG-OAHLLOKOSA-N 1 1 285.368 3.207 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2cc(O)cc(Cl)c2)CC1 ZINC001140797725 804518469 /nfs/dbraw/zinc/51/84/69/804518469.db2.gz NUQQJPYNPZMBSE-LLVKDONJSA-N 1 1 264.756 3.171 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2cc(O)cc(Cl)c2)CC1 ZINC001140797725 804518471 /nfs/dbraw/zinc/51/84/71/804518471.db2.gz NUQQJPYNPZMBSE-LLVKDONJSA-N 1 1 264.756 3.171 20 30 CGEDMO CC[N@H+]1CCN(Cc2cccc(C#N)c2Cl)C(C)(C)C1 ZINC001140814316 804526858 /nfs/dbraw/zinc/52/68/58/804526858.db2.gz HEVXIJSYMQKLIB-UHFFFAOYSA-N 1 1 291.826 3.128 20 30 CGEDMO Cc1cccnc1O[C@@H]1CCC[N@H+](C2CCC(C#N)CC2)C1 ZINC001256971387 807020514 /nfs/dbraw/zinc/02/05/14/807020514.db2.gz POYGTDSUELYWBO-OFLPRAFFSA-N 1 1 299.418 3.316 20 30 CGEDMO N#CC1CCC([N@H+]2CC[C@@H](C(=O)c3ccccc3)C2)CC1 ZINC001256972409 807021115 /nfs/dbraw/zinc/02/11/15/807021115.db2.gz XYFPUIYXRUJWTH-ARWYELJZSA-N 1 1 282.387 3.274 20 30 CGEDMO N#Cc1c(N)sc(C[N@@H+](CC2CC2)C2CC2)c1Cl ZINC001141113647 804591751 /nfs/dbraw/zinc/59/17/51/804591751.db2.gz NILGHIILNZMIGH-UHFFFAOYSA-N 1 1 281.812 3.230 20 30 CGEDMO CC1(C)CC[N@@H+](Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141112159 804592340 /nfs/dbraw/zinc/59/23/40/804592340.db2.gz RHAYFXBBSXKZSK-UHFFFAOYSA-N 1 1 269.801 3.087 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001141163691 804602314 /nfs/dbraw/zinc/60/23/14/804602314.db2.gz OXFSZHSXIZXBKM-STQMWFEESA-N 1 1 258.340 3.319 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H]1Cc1ccccn1 ZINC001141166325 804603840 /nfs/dbraw/zinc/60/38/40/804603840.db2.gz FZILAZQDWZHMFT-SFHVURJKSA-N 1 1 295.361 3.299 20 30 CGEDMO CCc1ccccc1C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001141224641 804614442 /nfs/dbraw/zinc/61/44/42/804614442.db2.gz GBKCOURXTWZLGS-OAHLLOKOSA-N 1 1 273.401 3.023 20 30 CGEDMO CCc1ccccc1C[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001141224641 804614446 /nfs/dbraw/zinc/61/44/46/804614446.db2.gz GBKCOURXTWZLGS-OAHLLOKOSA-N 1 1 273.401 3.023 20 30 CGEDMO CCc1ccccc1C[N@H+]1CCC2SC(=O)C=C2C1 ZINC001141224641 804614449 /nfs/dbraw/zinc/61/44/49/804614449.db2.gz GBKCOURXTWZLGS-OAHLLOKOSA-N 1 1 273.401 3.023 20 30 CGEDMO CC(C)C[N@H+]([C@@H](C)Cc1cccc(C#N)c1)[C@@H]1CCCNC1 ZINC001246951125 804615638 /nfs/dbraw/zinc/61/56/38/804615638.db2.gz BETUEOZCXFMZLE-QFBILLFUSA-N 1 1 299.462 3.199 20 30 CGEDMO CC(C)C[N@@H+]([C@@H](C)Cc1cccc(C#N)c1)[C@@H]1CCCNC1 ZINC001246951125 804615643 /nfs/dbraw/zinc/61/56/43/804615643.db2.gz BETUEOZCXFMZLE-QFBILLFUSA-N 1 1 299.462 3.199 20 30 CGEDMO CSc1nc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)ccc1C#N ZINC001141941810 804680220 /nfs/dbraw/zinc/68/02/20/804680220.db2.gz YVBQRRABQUHCPP-WFASDCNBSA-N 1 1 287.432 3.440 20 30 CGEDMO CSc1nc(C[N@H+]2CCC[C@H](C)[C@@H]2C)ccc1C#N ZINC001141939800 804680252 /nfs/dbraw/zinc/68/02/52/804680252.db2.gz UKXPFFMGVJZCFK-RYUDHWBXSA-N 1 1 275.421 3.296 20 30 CGEDMO CCCCC[N@@H+](C)Cc1ccc(C#N)c(SC)n1 ZINC001141928990 804680349 /nfs/dbraw/zinc/68/03/49/804680349.db2.gz GUEGMFRFEYWURD-UHFFFAOYSA-N 1 1 263.410 3.297 20 30 CGEDMO Cn1cc2c(cccc2C[N@@H+](C)Cc2ccc(C#N)cc2)n1 ZINC001142456291 804725265 /nfs/dbraw/zinc/72/52/65/804725265.db2.gz JWPQVVRFJBUYBP-UHFFFAOYSA-N 1 1 290.370 3.077 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001142527351 804733772 /nfs/dbraw/zinc/73/37/72/804733772.db2.gz SAJDTOYHXUFCDE-UHFFFAOYSA-N 1 1 255.308 3.459 20 30 CGEDMO C=CCCCC[N@@H+](C)Cc1cc(F)c(F)cc1O ZINC001142527351 804733777 /nfs/dbraw/zinc/73/37/77/804733777.db2.gz SAJDTOYHXUFCDE-UHFFFAOYSA-N 1 1 255.308 3.459 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cc(F)c(F)cc1O ZINC001142527351 804733780 /nfs/dbraw/zinc/73/37/80/804733780.db2.gz SAJDTOYHXUFCDE-UHFFFAOYSA-N 1 1 255.308 3.459 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH3+])c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC001247621244 804781026 /nfs/dbraw/zinc/78/10/26/804781026.db2.gz KWFJUMHGUNOVJQ-NOZJJQNGSA-N 1 1 295.264 3.115 20 30 CGEDMO C[C@]1(F)CC[N@H+](Cc2c[nH]c3cc(C#N)ccc23)C[C@@H]1F ZINC001142911607 804781585 /nfs/dbraw/zinc/78/15/85/804781585.db2.gz BIHZYYITPAFLDL-HOTGVXAUSA-N 1 1 289.329 3.312 20 30 CGEDMO C[C@]1(F)CC[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)C[C@@H]1F ZINC001142911607 804781589 /nfs/dbraw/zinc/78/15/89/804781589.db2.gz BIHZYYITPAFLDL-HOTGVXAUSA-N 1 1 289.329 3.312 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH3+])c1nc(-c2cc(Cl)cc(Cl)c2)no1 ZINC001247621117 804781812 /nfs/dbraw/zinc/78/18/12/804781812.db2.gz GKODCSWFUQRGOJ-AMIZOPFISA-N 1 1 296.157 3.403 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2cccc(F)c2Cl)no1 ZINC001247623056 804784184 /nfs/dbraw/zinc/78/41/84/804784184.db2.gz WLZCQZGCPOSODJ-JTQLQIEISA-N 1 1 281.718 3.495 20 30 CGEDMO Cn1nc(-c2ccccc2)cc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001143012195 804795269 /nfs/dbraw/zinc/79/52/69/804795269.db2.gz JKVGMFYUHTZVAW-HNNXBMFYSA-N 1 1 294.402 3.213 20 30 CGEDMO CC(C)(C)c1cccc(C[N@@H+]2CC[C@@H](C#N)C2)c1O ZINC001143112306 804803642 /nfs/dbraw/zinc/80/36/42/804803642.db2.gz PLAXPWGKBOAARY-LBPRGKRZSA-N 1 1 258.365 3.035 20 30 CGEDMO CC(C)(C)c1cccc(C[N@H+]2CC[C@@H](C#N)C2)c1O ZINC001143112306 804803648 /nfs/dbraw/zinc/80/36/48/804803648.db2.gz PLAXPWGKBOAARY-LBPRGKRZSA-N 1 1 258.365 3.035 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2CC3CCC2CC3)c1F ZINC001143173006 804814532 /nfs/dbraw/zinc/81/45/32/804814532.db2.gz KHMBNQMPYCFNTN-UHFFFAOYSA-N 1 1 262.303 3.211 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CC3CCC2CC3)c1F ZINC001143173006 804814540 /nfs/dbraw/zinc/81/45/40/804814540.db2.gz KHMBNQMPYCFNTN-UHFFFAOYSA-N 1 1 262.303 3.211 20 30 CGEDMO C[N@H+](Cc1c(F)ccc(C#N)c1F)CC(C)(C)C ZINC001143172863 804814865 /nfs/dbraw/zinc/81/48/65/804814865.db2.gz DRLJXITWLUQYFD-UHFFFAOYSA-N 1 1 252.308 3.314 20 30 CGEDMO C[N@@H+](Cc1c(F)ccc(C#N)c1F)CC(C)(C)C ZINC001143172863 804814872 /nfs/dbraw/zinc/81/48/72/804814872.db2.gz DRLJXITWLUQYFD-UHFFFAOYSA-N 1 1 252.308 3.314 20 30 CGEDMO C[C@@H]1CCC[N@H+](Cc2c(F)ccc(C#N)c2F)CC1 ZINC001143164557 804815349 /nfs/dbraw/zinc/81/53/49/804815349.db2.gz LZXWZMZQZALYEH-LLVKDONJSA-N 1 1 264.319 3.458 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2c(F)ccc(C#N)c2F)CC1 ZINC001143164557 804815357 /nfs/dbraw/zinc/81/53/57/804815357.db2.gz LZXWZMZQZALYEH-LLVKDONJSA-N 1 1 264.319 3.458 20 30 CGEDMO CC(C)[N@@H+](CCCCCO)Cc1c(F)ccc(C#N)c1F ZINC001143175603 804816778 /nfs/dbraw/zinc/81/67/78/804816778.db2.gz BOHMEROBFKNJHR-UHFFFAOYSA-N 1 1 296.361 3.209 20 30 CGEDMO C=CCOc1ccc(-c2noc([C@@H]([NH3+])CC=C)n2)c(F)c1 ZINC001247963271 804857800 /nfs/dbraw/zinc/85/78/00/804857800.db2.gz LLTJYWIWGDXEKF-ZDUSSCGKSA-N 1 1 289.310 3.016 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2ccc(C(C)(C)C)cc2C#N)no1 ZINC001247963682 804857955 /nfs/dbraw/zinc/85/79/55/804857955.db2.gz SREYAAWZOUSVMZ-AWEZNQCLSA-N 1 1 296.374 3.482 20 30 CGEDMO C=CCCCCCCNC(=O)N1CC[N@H+](CC)C[C@H]1CC ZINC001248566506 804954679 /nfs/dbraw/zinc/95/46/79/804954679.db2.gz RYNNXHNVAXZEGN-MRXNPFEDSA-N 1 1 295.471 3.249 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc2nc(Br)sc2c1 ZINC001248592105 804958676 /nfs/dbraw/zinc/95/86/76/804958676.db2.gz JMQBXOZHVRGDLH-UHFFFAOYSA-N 1 1 295.205 3.124 20 30 CGEDMO CCCCCCC[N@@H+](CC)Cc1cccc(=O)n1C ZINC001248807031 804999219 /nfs/dbraw/zinc/99/92/19/804999219.db2.gz CJSHOIPMYYDYEB-UHFFFAOYSA-N 1 1 264.413 3.178 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cccc(C)n3)C2)cc1 ZINC001144580776 805011705 /nfs/dbraw/zinc/01/17/05/805011705.db2.gz JFJNUNROQWZZKT-GOSISDBHSA-N 1 1 292.382 3.025 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1cn(C)c2ccnc(Cl)c12 ZINC001248837659 805014924 /nfs/dbraw/zinc/01/49/24/805014924.db2.gz MDPZFCRTPBBUJM-UHFFFAOYSA-N 1 1 290.798 3.352 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1cn(C)c2ccnc(Cl)c12 ZINC001248837659 805014931 /nfs/dbraw/zinc/01/49/31/805014931.db2.gz MDPZFCRTPBBUJM-UHFFFAOYSA-N 1 1 290.798 3.352 20 30 CGEDMO Cc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)c(Cl)nc1C ZINC001249019396 805071680 /nfs/dbraw/zinc/07/16/80/805071680.db2.gz JYAHGFQPUSJLHD-CYBMUJFWSA-N 1 1 277.799 3.478 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@H](CC#N)C2)c(Cl)nc1C ZINC001249019396 805071687 /nfs/dbraw/zinc/07/16/87/805071687.db2.gz JYAHGFQPUSJLHD-CYBMUJFWSA-N 1 1 277.799 3.478 20 30 CGEDMO CCCCCCCC(=O)N(CC)[C@H]1CC[N@@H+](CC)C1 ZINC001146909927 805097194 /nfs/dbraw/zinc/09/71/94/805097194.db2.gz GUWDJEFIJFAPFE-HNNXBMFYSA-N 1 1 268.445 3.290 20 30 CGEDMO C=CCCC(=O)N1CC2(C1)CC[N@H+]([C@H](C)c1ccccc1)C2 ZINC001147188479 805114496 /nfs/dbraw/zinc/11/44/96/805114496.db2.gz ZYAJHKSQZASLAQ-MRXNPFEDSA-N 1 1 298.430 3.248 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@@H](C)CCCC)C2)C1 ZINC001147466955 805131284 /nfs/dbraw/zinc/13/12/84/805131284.db2.gz ABONWGWCGYZYQC-ZDUSSCGKSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@@H](C)CCCC)C2)C1 ZINC001147466955 805131287 /nfs/dbraw/zinc/13/12/87/805131287.db2.gz ABONWGWCGYZYQC-ZDUSSCGKSA-N 1 1 298.858 3.100 20 30 CGEDMO N#Cc1ccc2cc(C[N@@H+]3CC[C@]4(CC4(F)F)C3)[nH]c2c1 ZINC001249429285 805146257 /nfs/dbraw/zinc/14/62/57/805146257.db2.gz UXGBWGTXQDKRLO-HNNXBMFYSA-N 1 1 287.313 3.271 20 30 CGEDMO N#Cc1ccc2cc(C[N@H+]3CCCC[C@@H](F)C3)[nH]c2c1 ZINC001249427321 805147013 /nfs/dbraw/zinc/14/70/13/805147013.db2.gz YYWDVQSRMWUAJZ-CQSZACIVSA-N 1 1 271.339 3.364 20 30 CGEDMO N#Cc1ccc2cc(C[N@@H+]3CCCC[C@@H](F)C3)[nH]c2c1 ZINC001249427321 805147020 /nfs/dbraw/zinc/14/70/20/805147020.db2.gz YYWDVQSRMWUAJZ-CQSZACIVSA-N 1 1 271.339 3.364 20 30 CGEDMO C=CC[N@H+](C)Cc1c(OC)cc(OC)c2ccccc21 ZINC001249445944 805152273 /nfs/dbraw/zinc/15/22/73/805152273.db2.gz XYMSXKKJKWQTQW-UHFFFAOYSA-N 1 1 271.360 3.475 20 30 CGEDMO N#Cc1cc(F)cc(F)c1Nc1cc[nH+]cc1C(F)(F)F ZINC001249593395 805185326 /nfs/dbraw/zinc/18/53/26/805185326.db2.gz HSCWMOPBDQAFST-UHFFFAOYSA-N 1 1 299.202 3.416 20 30 CGEDMO CCCCCCCCC(=O)NCC[NH2+]Cc1cscn1 ZINC001148727667 805206719 /nfs/dbraw/zinc/20/67/19/805206719.db2.gz FFEKKXFYBVEPFN-UHFFFAOYSA-N 1 1 297.468 3.100 20 30 CGEDMO Cc1ccc(C)c(Nc2c[nH+]c(N)c(C)c2)c1C#N ZINC001249793867 805251098 /nfs/dbraw/zinc/25/10/98/805251098.db2.gz FPBWDZWWWBMXKC-UHFFFAOYSA-N 1 1 252.321 3.204 20 30 CGEDMO C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)c1ccoc1 ZINC001151870321 805318527 /nfs/dbraw/zinc/31/85/27/805318527.db2.gz IEUCGXKYDXCHOM-OAHLLOKOSA-N 1 1 292.423 3.466 20 30 CGEDMO C=CCCC(=O)NC[C@@H](C)[N@@H+](CC)CCCC(C)C ZINC001152313908 805343498 /nfs/dbraw/zinc/34/34/98/805343498.db2.gz ZJIRVAYPXWTALC-OAHLLOKOSA-N 1 1 268.445 3.215 20 30 CGEDMO C=CCCC(=O)NC[C@@H](C)[N@@H+](CC)CC1CC(C)(C)C1 ZINC001152313792 805344067 /nfs/dbraw/zinc/34/40/67/805344067.db2.gz SRFMZHUKLYWYEI-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO CC[N@@H+](CCC(C)(C)C)[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001153260471 805389868 /nfs/dbraw/zinc/38/98/68/805389868.db2.gz UQYKXUBYCRRVLN-OAHLLOKOSA-N 1 1 294.483 3.299 20 30 CGEDMO CC[N@@H+](CCCC(C)C)[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001153260086 805390667 /nfs/dbraw/zinc/39/06/67/805390667.db2.gz OEJRPGLKXBPXJX-MRXNPFEDSA-N 1 1 294.483 3.299 20 30 CGEDMO CCOc1cc(OC)ccc1C[NH+]1CCC(C)(C#N)CC1 ZINC001250063543 805397857 /nfs/dbraw/zinc/39/78/57/805397857.db2.gz ZVMOYYCHLRFITA-UHFFFAOYSA-N 1 1 288.391 3.220 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@](C)(F)CCCC ZINC001154075054 805431734 /nfs/dbraw/zinc/43/17/34/805431734.db2.gz WKZQYWHEUCIZFY-ZBFHGGJFSA-N 1 1 286.435 3.308 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1ccccc1CCC ZINC001154251462 805444672 /nfs/dbraw/zinc/44/46/72/805444672.db2.gz RNEVPUQIAZCWCW-OAHLLOKOSA-N 1 1 288.435 3.265 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC001154443974 805456573 /nfs/dbraw/zinc/45/65/73/805456573.db2.gz NVSRZFDXQYTOQH-HGTKMLMNSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC001154443974 805456576 /nfs/dbraw/zinc/45/65/76/805456576.db2.gz NVSRZFDXQYTOQH-HGTKMLMNSA-N 1 1 298.858 3.002 20 30 CGEDMO CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[C@@H]1C ZINC001154676959 805476900 /nfs/dbraw/zinc/47/69/00/805476900.db2.gz MGEBIEPKEVQQMH-XHSDSOJGSA-N 1 1 282.472 3.439 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)C(CCC)CCC ZINC001154887707 805504754 /nfs/dbraw/zinc/50/47/54/805504754.db2.gz DPELMTXGSDIZCI-OAHLLOKOSA-N 1 1 280.456 3.053 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)CCCc1ccccc1 ZINC001154980613 805516261 /nfs/dbraw/zinc/51/62/61/805516261.db2.gz HZIJDMPBPYXWFK-MRXNPFEDSA-N 1 1 288.435 3.022 20 30 CGEDMO C=CCc1c(Cl)ncnc1NCC[C@@H]1CCC[N@H+](C)C1 ZINC001165254500 806982447 /nfs/dbraw/zinc/98/24/47/806982447.db2.gz XIEMQSHWKNDXDL-LBPRGKRZSA-N 1 1 294.830 3.002 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001155120824 805542872 /nfs/dbraw/zinc/54/28/72/805542872.db2.gz VDCVJUDMLRMXOW-RYRKJORJSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001155141120 805543840 /nfs/dbraw/zinc/54/38/40/805543840.db2.gz FAKURRWTQNIPFW-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO N#C[C@@H]1CCCN([C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256920404 807010619 /nfs/dbraw/zinc/01/06/19/807010619.db2.gz KXEADZQCLNEFEU-NVXWUHKLSA-N 1 1 275.440 3.019 20 30 CGEDMO N#Cc1ccc(C2CCC([N@@H+]3C[C@H]4CC[C@@H](C3)O4)CC2)cc1 ZINC001257016844 807027621 /nfs/dbraw/zinc/02/76/21/807027621.db2.gz JWVKQWJAZYXQMJ-YHFFBGSDSA-N 1 1 296.414 3.448 20 30 CGEDMO C=CCN1CC[C@@]2(CCC[N@H+]([C@H](CC)CCC)C2)C1=O ZINC001257258620 807073847 /nfs/dbraw/zinc/07/38/47/807073847.db2.gz FAKNWXKZAVJDIR-NVXWUHKLSA-N 1 1 278.440 3.066 20 30 CGEDMO C#C[C@H]1CCCN(c2[nH+]ccc3cccc(C)c32)C1 ZINC001167008238 807128612 /nfs/dbraw/zinc/12/86/12/807128612.db2.gz VMYVKHQRPDOCAU-AWEZNQCLSA-N 1 1 250.345 3.393 20 30 CGEDMO CCCCOC(=O)CC[C@H](C)[N@H+]1CCC[C@H](C#N)CC1 ZINC001257400210 807138831 /nfs/dbraw/zinc/13/88/31/807138831.db2.gz LLRFDTGGYGRPHO-GJZGRUSLSA-N 1 1 280.412 3.124 20 30 CGEDMO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@@H]2CCCC[C@@H]2C)c1 ZINC001167072992 807143595 /nfs/dbraw/zinc/14/35/95/807143595.db2.gz WWZLWYGDXPCRGA-RDJZCZTQSA-N 1 1 298.430 3.365 20 30 CGEDMO C#CC[N@H+](C[C@H]1CCCC[C@@H]1C(=O)OC)C1CCCCC1 ZINC001167274116 807175482 /nfs/dbraw/zinc/17/54/82/807175482.db2.gz YJQUJYAWIDOHOS-WBVHZDCISA-N 1 1 291.435 3.234 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC001167433798 807192543 /nfs/dbraw/zinc/19/25/43/807192543.db2.gz MFQYGFSEQUAVDS-GDBMZVCRSA-N 1 1 259.368 3.492 20 30 CGEDMO C=CC[C@H](C)[N@@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC001167628157 807218821 /nfs/dbraw/zinc/21/88/21/807218821.db2.gz AQSCVKGGTKCNEV-ZDUSSCGKSA-N 1 1 284.444 3.434 20 30 CGEDMO C=CCCCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001167648648 807223587 /nfs/dbraw/zinc/22/35/87/807223587.db2.gz VZZZXGUZNLIEHW-UHFFFAOYSA-N 1 1 260.337 3.309 20 30 CGEDMO C=CC[N@H+](C)C1C[C@H]2C[C@@H](C1)CN(C(=O)OC(C)(C)C)C2 ZINC001257850003 807227703 /nfs/dbraw/zinc/22/77/03/807227703.db2.gz NNWKFAUIBUHXQL-YIONKMFJSA-N 1 1 294.439 3.140 20 30 CGEDMO C=C1C[C@@H]2CC(N3CC[N@H+]4CCCC[C@@H]4C3)C[C@H](C1)C2 ZINC001257892766 807242340 /nfs/dbraw/zinc/24/23/40/807242340.db2.gz DFJLMPOZPZSQPK-SOABOVLPSA-N 1 1 274.452 3.291 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CCN4CCCC[C@@H]4C3)C[C@H](C1)C2 ZINC001257892766 807242345 /nfs/dbraw/zinc/24/23/45/807242345.db2.gz DFJLMPOZPZSQPK-SOABOVLPSA-N 1 1 274.452 3.291 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCN4CCCC[C@@H]4C3)C[C@H](C1)C2 ZINC001257892766 807242348 /nfs/dbraw/zinc/24/23/48/807242348.db2.gz DFJLMPOZPZSQPK-SOABOVLPSA-N 1 1 274.452 3.291 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3C[C@H]4CCCN(C)[C@H]4C3)C[C@H](C1)C2 ZINC001257894351 807244455 /nfs/dbraw/zinc/24/44/55/807244455.db2.gz QMCWDRPXQMFYGN-JILJLDPQSA-N 1 1 274.452 3.147 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+](CC)CC(=O)OCC)C[C@H](C1)C2 ZINC001257894944 807244761 /nfs/dbraw/zinc/24/47/61/807244761.db2.gz DYEXALSWVJHGBF-YIONKMFJSA-N 1 1 265.397 3.006 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+](C)Cc3cnc(C)nc3)C[C@H](C1)C2 ZINC001257895713 807245425 /nfs/dbraw/zinc/24/54/25/807245425.db2.gz ZAHZEDFHVPVWAU-FKEKPDDDSA-N 1 1 271.408 3.352 20 30 CGEDMO Cc1[nH+]c(N)ccc1CNc1ncc(C#N)c2ccsc21 ZINC001167785851 807249946 /nfs/dbraw/zinc/24/99/46/807249946.db2.gz CBNXPMKZTSKHOW-UHFFFAOYSA-N 1 1 295.371 3.066 20 30 CGEDMO C=CCc1cc(C)c[nH+]c1N[C@H]1CC[C@H](C(=O)OC)CC1 ZINC001167828597 807257794 /nfs/dbraw/zinc/25/77/94/807257794.db2.gz ZDLNTKZVRGWXAX-CTYIDZIISA-N 1 1 288.391 3.262 20 30 CGEDMO C=CC[C@H]([NH2+][C@@H](C)CCCCCCC)C(=O)OC ZINC001258039441 807271664 /nfs/dbraw/zinc/27/16/64/807271664.db2.gz QDDMZIPWERIPIV-KBPBESRZSA-N 1 1 255.402 3.443 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1CCN(C(C)=O)[C@H](C)C1 ZINC001258049207 807274917 /nfs/dbraw/zinc/27/49/17/807274917.db2.gz BNCIYVZLCQBSCT-HUUCEWRRSA-N 1 1 268.445 3.288 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC001258050735 807276611 /nfs/dbraw/zinc/27/66/11/807276611.db2.gz XFGFOAUDWFUSGH-HUUCEWRRSA-N 1 1 289.485 3.244 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CCN(C(C)=O)C[C@@H]1C ZINC001258050386 807276852 /nfs/dbraw/zinc/27/68/52/807276852.db2.gz TXNVPBZFECTIMG-GJZGRUSLSA-N 1 1 268.445 3.288 20 30 CGEDMO CCCCCCC[C@@H](C)N1CC[NH+](CC(C)(C)O)CC1 ZINC001258052198 807278334 /nfs/dbraw/zinc/27/83/34/807278334.db2.gz MLEUGBPZZDPUQO-MRXNPFEDSA-N 1 1 284.488 3.124 20 30 CGEDMO CC[C@H](C#N)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001168029033 807299772 /nfs/dbraw/zinc/29/97/72/807299772.db2.gz RXKJJPFRSWRBRZ-CYGHRXIMSA-N 1 1 285.435 3.320 20 30 CGEDMO COCC#CC[N@H+]1CCC[C@@H](CCCc2ccccc2)C1 ZINC001168274152 807371111 /nfs/dbraw/zinc/37/11/11/807371111.db2.gz ABNCRYSABZSWBO-LJQANCHMSA-N 1 1 285.431 3.371 20 30 CGEDMO C=CC[C@@](C)([NH2+][C@@H](C)CC(C)(C)SC)C(=O)OC ZINC001258330906 807413554 /nfs/dbraw/zinc/41/35/54/807413554.db2.gz HAMAKQJTNOOZDZ-SMDDNHRTSA-N 1 1 273.442 3.004 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@H]2CCc3cc(F)ccc3C2)C1 ZINC001168440577 807416061 /nfs/dbraw/zinc/41/60/61/807416061.db2.gz JOWRSEWQAVPYSK-GUYCJALGSA-N 1 1 257.352 3.028 20 30 CGEDMO C=CC[C@H]([NH2+]C1CCC(CCC)CC1)C(=O)OC ZINC001258528972 807486149 /nfs/dbraw/zinc/48/61/49/807486149.db2.gz GLBKCUNQZZKDLA-RUXDESIVSA-N 1 1 253.386 3.053 20 30 CGEDMO C=CC[C@@](C)([NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)C(=O)OC ZINC001258694825 807550952 /nfs/dbraw/zinc/55/09/52/807550952.db2.gz WIGWBPUFEVLKOM-DVOMOZLQSA-N 1 1 267.413 3.299 20 30 CGEDMO CC(C)C[C@H](Cc1ccccc1)[NH+]1CC(C)(C#N)C1 ZINC001169068939 807566646 /nfs/dbraw/zinc/56/66/46/807566646.db2.gz BDJIBBFGDDLGKD-MRXNPFEDSA-N 1 1 256.393 3.489 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CCN(C)C)Cc1ccccc1 ZINC001258724841 807573237 /nfs/dbraw/zinc/57/32/37/807573237.db2.gz BVCSAFXLEGQBQE-INIZCTEOSA-N 1 1 260.425 3.405 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C1 ZINC001258727700 807574724 /nfs/dbraw/zinc/57/47/24/807574724.db2.gz ILCCMVPVXHLKIZ-SOUVJXGZSA-N 1 1 294.439 3.282 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H]2[C@@H]1CN2C(=O)OC(C)(C)C ZINC001258728935 807575987 /nfs/dbraw/zinc/57/59/87/807575987.db2.gz RJOAXUGXSVLZGF-KKUMJFAQSA-N 1 1 294.439 3.425 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(Cc3cccs3)C[C@H]2C1 ZINC001258729015 807576494 /nfs/dbraw/zinc/57/64/94/807576494.db2.gz SBGZZVJAFRVRBW-HRCADAONSA-N 1 1 290.476 3.466 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC001258729693 807576592 /nfs/dbraw/zinc/57/65/92/807576592.db2.gz XGHXFDGPWYWNBT-SOUVJXGZSA-N 1 1 294.439 3.282 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCO[C@]2(CCC[C@@H]2COCC=C)C1 ZINC001258730199 807576660 /nfs/dbraw/zinc/57/66/60/807576660.db2.gz BUCRZZVTOFHRCA-RCCFBDPRSA-N 1 1 293.451 3.415 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@@H](Cc1ccccc1)C(=O)OC ZINC001258732411 807577518 /nfs/dbraw/zinc/57/75/18/807577518.db2.gz LIPJJUBSQAUNPS-HOCLYGCPSA-N 1 1 275.392 3.057 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCc2nc(Cl)ccc2C1 ZINC001258731650 807577781 /nfs/dbraw/zinc/57/77/81/807577781.db2.gz BPPYMHONXBGVJW-NSHDSACASA-N 1 1 250.773 3.448 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H]1C(=O)OC(C)(C)C ZINC001258734601 807580592 /nfs/dbraw/zinc/58/05/92/807580592.db2.gz GIGONMFVIYGRPN-OLZOCXBDSA-N 1 1 253.386 3.147 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](CC(=O)OC(C)(C)C)C1 ZINC001258734460 807581143 /nfs/dbraw/zinc/58/11/43/807581143.db2.gz YILSGSFYAYVUHA-UONOGXRCSA-N 1 1 267.413 3.395 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)C1CCN(CC)CC1 ZINC001169265847 807618907 /nfs/dbraw/zinc/61/89/07/807618907.db2.gz SBZKPMYPZBADAI-UHFFFAOYSA-N 1 1 258.409 3.159 20 30 CGEDMO C=CCN(Cc1ccccc1)C1CC[NH+](CC)CC1 ZINC001169265847 807618911 /nfs/dbraw/zinc/61/89/11/807618911.db2.gz SBZKPMYPZBADAI-UHFFFAOYSA-N 1 1 258.409 3.159 20 30 CGEDMO C[C@@H]1CCC[C@@H]([N@H+]2CCc3cc(C#N)ccc3C2)C1 ZINC001258817811 807634298 /nfs/dbraw/zinc/63/42/98/807634298.db2.gz AVCPYFDUJYONLU-CXAGYDPISA-N 1 1 254.377 3.495 20 30 CGEDMO C#C[C@@](C)(CC)Nc1[nH+]cnc2[nH]c3c(c21)CCCC3 ZINC001169693541 807689046 /nfs/dbraw/zinc/68/90/46/807689046.db2.gz WEQCHNVLFVXYKN-INIZCTEOSA-N 1 1 268.364 3.051 20 30 CGEDMO C#C[C@](C)(CC)Nc1ccc([C@@H]2CC[N@@H+](C)C2)cc1 ZINC001169700462 807691869 /nfs/dbraw/zinc/69/18/69/807691869.db2.gz ORRTVQUDALQPOV-NVXWUHKLSA-N 1 1 256.393 3.320 20 30 CGEDMO C=C(C)C[N@H+](CC)C1CC(C)(C)N(O)C(C)(C)C1 ZINC001170004017 807737408 /nfs/dbraw/zinc/73/74/08/807737408.db2.gz BKGLZGUEJQCMDF-UHFFFAOYSA-N 1 1 254.418 3.295 20 30 CGEDMO CO[C@H]1CC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170379461 807831731 /nfs/dbraw/zinc/83/17/31/807831731.db2.gz ZIMARROAIKJGSH-ADKAHSJRSA-N 1 1 284.403 3.111 20 30 CGEDMO N#CC1(c2ccccc2)CCC([N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001170378797 807832276 /nfs/dbraw/zinc/83/22/76/807832276.db2.gz LNPCXZBARHQHIA-FXSDRFNOSA-N 1 1 296.414 3.254 20 30 CGEDMO C[C@]1(CO)CC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170378748 807832655 /nfs/dbraw/zinc/83/26/55/807832655.db2.gz KDBZPTVRMCSXIE-XBMUEBEBSA-N 1 1 298.430 3.095 20 30 CGEDMO C[C@@H]1C[N@H+](C2CCC(C#N)(c3ccccc3)CC2)CCN1C ZINC001170389609 807834484 /nfs/dbraw/zinc/83/44/84/807834484.db2.gz VPDFLVIQIIXUPX-IPJUCJBFSA-N 1 1 297.446 3.026 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1O ZINC001171230028 808014381 /nfs/dbraw/zinc/01/43/81/808014381.db2.gz RPTJKVFNUHQWGB-CQSZACIVSA-N 1 1 280.371 3.327 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001171319389 808025999 /nfs/dbraw/zinc/02/59/99/808025999.db2.gz CSZBYAQXGONWPO-LLVKDONJSA-N 1 1 265.784 3.324 20 30 CGEDMO C#CCCCCC(=O)N[C@H]1CC[N@H+](C[C@H](C)CC)[C@@H]1CC ZINC001264049324 808031521 /nfs/dbraw/zinc/03/15/21/808031521.db2.gz VHGIXZZPSHBFDI-IXDOHACOSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C/C=C\c2ccc(C)cc2)[C@H]1C ZINC001264179142 808044572 /nfs/dbraw/zinc/04/45/72/808044572.db2.gz JSVXFJWYYXFSQK-ROEZOGTPSA-N 1 1 298.430 3.163 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)CCCC#CC ZINC001264184419 808046385 /nfs/dbraw/zinc/04/63/85/808046385.db2.gz RSFXCONBXQXKCX-KRWDZBQOSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CC(C)(C)C(=O)N(C)C[C@H]1CC[N@H+]1CC1=CCCCC1 ZINC001264366952 808061320 /nfs/dbraw/zinc/06/13/20/808061320.db2.gz OMZQQFPQDGHZLB-MRXNPFEDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)CC(C)C ZINC001264376169 808063502 /nfs/dbraw/zinc/06/35/02/808063502.db2.gz DBUVBKXLWVHLSM-OAHLLOKOSA-N 1 1 280.456 3.168 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171492287 808076357 /nfs/dbraw/zinc/07/63/57/808076357.db2.gz BYFAHKKJNPXCMM-SWLSCSKDSA-N 1 1 275.342 3.167 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)CC(C)(C)C)[C@H]1CC ZINC001264600120 808079440 /nfs/dbraw/zinc/07/94/40/808079440.db2.gz DEGNTYJDMSAWMM-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)C[N@@H+](C)CCCNC(=O)c1cc2ccccc2o1 ZINC001265064762 808107383 /nfs/dbraw/zinc/10/73/83/808107383.db2.gz DSVHNLDVGUFAQM-UHFFFAOYSA-N 1 1 286.375 3.061 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)CC1=CCCCC1 ZINC001265104760 808109765 /nfs/dbraw/zinc/10/97/65/808109765.db2.gz ZMXLOHPQWDRDEN-UHFFFAOYSA-N 1 1 278.440 3.281 20 30 CGEDMO C=C(C)C[N@@H+](CCCNC(=O)c1ccc(Cl)o1)C1CC1 ZINC001265153973 808113444 /nfs/dbraw/zinc/11/34/44/808113444.db2.gz OTPJTYXFNPZFAD-UHFFFAOYSA-N 1 1 296.798 3.093 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C2CCCC2)C1 ZINC001265287925 808126723 /nfs/dbraw/zinc/12/67/23/808126723.db2.gz KNQVXKJGYBMIAP-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)C23CCC(CC2)C3)C1 ZINC001265289843 808127056 /nfs/dbraw/zinc/12/70/56/808127056.db2.gz DKAKCVKSQZXCSL-UERKLNTKSA-N 1 1 290.451 3.112 20 30 CGEDMO CC(C)[C@](C)(C#N)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171725223 808127417 /nfs/dbraw/zinc/12/74/17/808127417.db2.gz HYWDAHVCAHPNPQ-NXHRZFHOSA-N 1 1 285.435 3.177 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)c2cccc(Cl)c2)C1 ZINC001265312282 808130233 /nfs/dbraw/zinc/13/02/33/808130233.db2.gz KWLHGFCMHIHUPG-HNNXBMFYSA-N 1 1 292.810 3.110 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)C=C)C1 ZINC001265393251 808138148 /nfs/dbraw/zinc/13/81/48/808138148.db2.gz VFQLCBVPMRWLCX-INIZCTEOSA-N 1 1 292.467 3.335 20 30 CGEDMO C#CCCCCC(=O)N1CCC[C@H](C[N@H+](C)CC(C)C)C1 ZINC001265388838 808138643 /nfs/dbraw/zinc/13/86/43/808138643.db2.gz MQKYMQDRUHXEIX-QGZVFWFLSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)C[C@@H](C)C2CC2)C1 ZINC001265401144 808139782 /nfs/dbraw/zinc/13/97/82/808139782.db2.gz KWYTZGVTMGFRIQ-HZPDHXFCSA-N 1 1 292.467 3.169 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@@H+]([C@@H]1Cc3cccc(F)c3C1)CC2 ZINC001171793939 808141224 /nfs/dbraw/zinc/14/12/24/808141224.db2.gz NZOWMAGEKYEMGM-QGZVFWFLSA-N 1 1 292.357 3.223 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)C2CCC2)C1 ZINC001265584294 808156780 /nfs/dbraw/zinc/15/67/80/808156780.db2.gz KEPHPZDCSAILLT-UONOGXRCSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)C2CCC2)C1 ZINC001265584294 808156784 /nfs/dbraw/zinc/15/67/84/808156784.db2.gz KEPHPZDCSAILLT-UONOGXRCSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)[C@H](C)C2CCC2)C1 ZINC001265584293 808157023 /nfs/dbraw/zinc/15/70/23/808157023.db2.gz KEPHPZDCSAILLT-KGLIPLIRSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)C2CCC2)C1 ZINC001265584293 808157025 /nfs/dbraw/zinc/15/70/25/808157025.db2.gz KEPHPZDCSAILLT-KGLIPLIRSA-N 1 1 298.858 3.003 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H](CNC(=O)CCC2CCC2)C1 ZINC001265579518 808157173 /nfs/dbraw/zinc/15/71/73/808157173.db2.gz GVYCZMLTPSEEFP-QGZVFWFLSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC ZINC001265693238 808169266 /nfs/dbraw/zinc/16/92/66/808169266.db2.gz GOOACDOTQKGXAP-JKSUJKDBSA-N 1 1 278.440 3.208 20 30 CGEDMO C[C@H](C#N)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077040 808170737 /nfs/dbraw/zinc/17/07/37/808170737.db2.gz ONGJWOMZEMVXCT-NRSFXHEJSA-N 1 1 283.419 3.074 20 30 CGEDMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N(CC#N)Cc1ccccc1)C2 ZINC001172128077 808187271 /nfs/dbraw/zinc/18/72/71/808187271.db2.gz OAWMDBYFYDYEQG-BCDXTJNWSA-N 1 1 283.419 3.027 20 30 CGEDMO C=Cc1ccc(C(=O)NCCC[N@@H+](C)CC(=C)Cl)cc1 ZINC001265927435 808194124 /nfs/dbraw/zinc/19/41/24/808194124.db2.gz LNISXUIUZVOHGH-UHFFFAOYSA-N 1 1 292.810 3.134 20 30 CGEDMO C=Cc1ccc(C(=O)NCCC[N@H+](C)CC(=C)Cl)cc1 ZINC001265927435 808194128 /nfs/dbraw/zinc/19/41/28/808194128.db2.gz LNISXUIUZVOHGH-UHFFFAOYSA-N 1 1 292.810 3.134 20 30 CGEDMO C=CC[N@H+](C)CCCNC(=O)C[C@@H](C)C1CCCCC1 ZINC001265938730 808195613 /nfs/dbraw/zinc/19/56/13/808195613.db2.gz JBVPKZKELVULBI-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@@H+](CC)CCCNC(=O)[C@@H]1CCCC1(C)C ZINC001266073582 808207889 /nfs/dbraw/zinc/20/78/89/808207889.db2.gz LNEBTIWVVNYSKR-HNNXBMFYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@]2(C)CC=CCC2)C1 ZINC001266100176 808211318 /nfs/dbraw/zinc/21/13/18/808211318.db2.gz TZSSYDGCTXUTFE-FUHWJXTLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C/C(C)=C/CC(=O)N1CCC[C@@H]([N@@H+](C)CC(=C)C)C1 ZINC001266107985 808213685 /nfs/dbraw/zinc/21/36/85/808213685.db2.gz NSAJOVBFYUWCET-HTRKUNOGSA-N 1 1 276.424 3.008 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)C2(CC=C)CCC2)C1 ZINC001266110292 808213698 /nfs/dbraw/zinc/21/36/98/808213698.db2.gz FCXIETRSCUTLSY-MRXNPFEDSA-N 1 1 290.451 3.232 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC(=O)[C@@H]2CCCC[C@H]21 ZINC001172308679 808223254 /nfs/dbraw/zinc/22/32/54/808223254.db2.gz LUQVWQMTRYFCMX-ZTFGCOKTSA-N 1 1 296.414 3.323 20 30 CGEDMO Cc1ncccc1C[N@H+](C)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172313415 808224470 /nfs/dbraw/zinc/22/44/70/808224470.db2.gz WOHFHONAZACPLF-CQSZACIVSA-N 1 1 279.387 3.325 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)CSC(C)C ZINC001266201413 808227124 /nfs/dbraw/zinc/22/71/24/808227124.db2.gz JAOMKUMSFCZFTB-HNNXBMFYSA-N 1 1 298.496 3.065 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)CC(C)(C)CC ZINC001266220149 808228519 /nfs/dbraw/zinc/22/85/19/808228519.db2.gz OMTHOGHNSNOTQY-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)CCc1cccnc1 ZINC001172319125 808229262 /nfs/dbraw/zinc/22/92/62/808229262.db2.gz LOWHGGHDDWSXQM-OAHLLOKOSA-N 1 1 279.387 3.059 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)C2(C)CC=CC2)C1 ZINC001266236688 808232171 /nfs/dbraw/zinc/23/21/71/808232171.db2.gz MTNVIPWHNAHMMS-HOTGVXAUSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NCC[N@@H+](C)Cc1ccc(C)cc1 ZINC001266312060 808239939 /nfs/dbraw/zinc/23/99/39/808239939.db2.gz QIVYTOXLTVMYAB-INIZCTEOSA-N 1 1 288.435 3.145 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001266341158 808244915 /nfs/dbraw/zinc/24/49/15/808244915.db2.gz BCFMYOWAORFKTM-GDBMZVCRSA-N 1 1 292.448 3.041 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[N@H+](CCCF)C2)CCCCC1 ZINC001266361816 808247898 /nfs/dbraw/zinc/24/78/98/808247898.db2.gz SQDDFZLTKFQCGI-OAHLLOKOSA-N 1 1 296.430 3.063 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCNC(=O)c1cc2ccccc2o1 ZINC001266356701 808248533 /nfs/dbraw/zinc/24/85/33/808248533.db2.gz GUJRZSWSKSVLPD-UHFFFAOYSA-N 1 1 286.375 3.061 20 30 CGEDMO C=CCC1(C(=O)NCC[N@H+](C)CCCC)CCCCC1 ZINC001266362377 808249665 /nfs/dbraw/zinc/24/96/65/808249665.db2.gz GHBUUQBCCXOTDK-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)c1cccc(F)c1Cl ZINC001266418451 808261251 /nfs/dbraw/zinc/26/12/51/808261251.db2.gz ZYIJWXPPRGYGFE-UHFFFAOYSA-N 1 1 298.789 3.107 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001266425705 808261497 /nfs/dbraw/zinc/26/14/97/808261497.db2.gz ZRPSXEDGCQHDSU-QAQDUYKDSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)C1CCCC1 ZINC001266468662 808271321 /nfs/dbraw/zinc/27/13/21/808271321.db2.gz VJGDNESWZOUKKP-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCC[N@H+]1CCC(C)C ZINC001266480835 808274421 /nfs/dbraw/zinc/27/44/21/808274421.db2.gz YZWNJAMZVYSFAQ-DOTOQJQBSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H](C)CC ZINC001266496662 808277565 /nfs/dbraw/zinc/27/75/65/808277565.db2.gz VHPUTYCQOQTJDU-ZACQAIPSSA-N 1 1 292.467 3.454 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC001266526377 808282563 /nfs/dbraw/zinc/28/25/63/808282563.db2.gz USNKJUGCJKBDJK-BZUAXINKSA-N 1 1 280.456 3.051 20 30 CGEDMO C=C(C)CC[N@@H+](CCNC(=O)c1sccc1F)C1CC1 ZINC001266590577 808293766 /nfs/dbraw/zinc/29/37/66/808293766.db2.gz MAUPQKYXYVDJTC-UHFFFAOYSA-N 1 1 296.411 3.048 20 30 CGEDMO C=CC(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC=C(C)C ZINC001266652227 808301947 /nfs/dbraw/zinc/30/19/47/808301947.db2.gz UXXCLAHAGJBCAV-MQVJKMGUSA-N 1 1 290.451 3.276 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](CNC(=O)CC2=CCCCC2)C1 ZINC001266742767 808310849 /nfs/dbraw/zinc/31/08/49/808310849.db2.gz FPYKHXLLVPGHSE-KRWDZBQOSA-N 1 1 290.451 3.281 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCC[N@H+](CC(=C)Cl)C1 ZINC001266760646 808314194 /nfs/dbraw/zinc/31/41/94/808314194.db2.gz KCWQGGMXLLJGKX-GOEBONIOSA-N 1 1 298.858 3.169 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCC[N@@H+](CC(=C)Cl)C1 ZINC001266760646 808314198 /nfs/dbraw/zinc/31/41/98/808314198.db2.gz KCWQGGMXLLJGKX-GOEBONIOSA-N 1 1 298.858 3.169 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@H]2CCCC[N@@H+]2C[C@@H](C)CC)C1 ZINC001266856425 808325572 /nfs/dbraw/zinc/32/55/72/808325572.db2.gz QUEYXGSORBVSCI-GOEBONIOSA-N 1 1 292.467 3.360 20 30 CGEDMO CC(C)OCC[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001172455565 808327061 /nfs/dbraw/zinc/32/70/61/808327061.db2.gz VQGDXHKCPCWHRB-CQSZACIVSA-N 1 1 260.381 3.194 20 30 CGEDMO CC[C@H](C)[C@H]([NH2+][C@H](C)CCCC#N)C(=O)OC(C)(C)C ZINC001172486963 808348013 /nfs/dbraw/zinc/34/80/13/808348013.db2.gz FZQNIEPSETYXIR-MJBXVCDLSA-N 1 1 282.428 3.415 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@@](O)(C(F)(F)F)[C@H](C)C1 ZINC001172491601 808352525 /nfs/dbraw/zinc/35/25/25/808352525.db2.gz FONOPKBBMTXELI-UPJWGTAASA-N 1 1 292.345 3.094 20 30 CGEDMO CCCCCCC[C@H](CCC)[NH2+]CCN1CCN(C)CC1 ZINC001172501002 808355481 /nfs/dbraw/zinc/35/54/81/808355481.db2.gz FLQJKUZLHDJIMC-SFHVURJKSA-N 1 1 297.531 3.353 20 30 CGEDMO COc1cccc(C[N@@H+](C)[C@@H](C)CCCC#N)c1OC ZINC001172497887 808356331 /nfs/dbraw/zinc/35/63/31/808356331.db2.gz HFRLBLSFTQIPKR-ZDUSSCGKSA-N 1 1 276.380 3.218 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@H]1Cc1ccccn1 ZINC001172504315 808359832 /nfs/dbraw/zinc/35/98/32/808359832.db2.gz GKTJIXZJTYYPNP-ZBFHGGJFSA-N 1 1 257.381 3.171 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)CC(CC)CC)C1 ZINC001267114231 808361557 /nfs/dbraw/zinc/36/15/57/808361557.db2.gz YWTLVJIHKNWQAC-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@@H]([N@H+](C)CCCC)C2)C1 ZINC001267111716 808362171 /nfs/dbraw/zinc/36/21/71/808362171.db2.gz ROAKMFUJIXENCC-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C[C@H](CCCC#N)[N@@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001172506803 808362554 /nfs/dbraw/zinc/36/25/54/808362554.db2.gz JSINNCNVVGTGTQ-SJORKVTESA-N 1 1 277.456 3.409 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCCC[C@H]1CCN1CCCC1 ZINC001172506803 808362561 /nfs/dbraw/zinc/36/25/61/808362561.db2.gz JSINNCNVVGTGTQ-SJORKVTESA-N 1 1 277.456 3.409 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CC[C@H](C(=O)c2ccccc2)C1 ZINC001172508018 808363646 /nfs/dbraw/zinc/36/36/46/808363646.db2.gz AWGZSLSHBCPFSL-HOCLYGCPSA-N 1 1 270.376 3.274 20 30 CGEDMO CCCCCCC[C@@H](CCC)[N@H+]1CCOC[C@H](O)C1 ZINC001172509027 808365742 /nfs/dbraw/zinc/36/57/42/808365742.db2.gz RLDYJWVKQYWOGW-HZPDHXFCSA-N 1 1 271.445 3.209 20 30 CGEDMO C[C@H](CCCC#N)[N@@H+]1CCn2cc(-c3ccccc3)nc2C1 ZINC001172510224 808366213 /nfs/dbraw/zinc/36/62/13/808366213.db2.gz XRCBYWWOTQCKQR-OAHLLOKOSA-N 1 1 294.402 3.448 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCn2cc(-c3ccccc3)nc2C1 ZINC001172510224 808366222 /nfs/dbraw/zinc/36/62/22/808366222.db2.gz XRCBYWWOTQCKQR-OAHLLOKOSA-N 1 1 294.402 3.448 20 30 CGEDMO C[C@@H](CCCC#N)N1CC[NH+](C2(c3ccccc3)CC2)CC1 ZINC001172509937 808366867 /nfs/dbraw/zinc/36/68/67/808366867.db2.gz SRUFCJOFODHLOD-KRWDZBQOSA-N 1 1 297.446 3.376 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)C1(F)CCCC1 ZINC001267169948 808372157 /nfs/dbraw/zinc/37/21/57/808372157.db2.gz APRTUFOWEAHRLA-HNNXBMFYSA-N 1 1 296.430 3.206 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)CCCC ZINC001267160244 808372223 /nfs/dbraw/zinc/37/22/23/808372223.db2.gz DLQUTIBAKMYLRZ-OAHLLOKOSA-N 1 1 266.429 3.114 20 30 CGEDMO C=CCCC(=O)NCC[N@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC001267188956 808377367 /nfs/dbraw/zinc/37/73/67/808377367.db2.gz UQIHSQTXPMYIBN-INIZCTEOSA-N 1 1 288.435 3.379 20 30 CGEDMO C=C(C)C[N@H+](C)CCNC(=O)c1cccc(C(C)C)c1 ZINC001267225582 808386587 /nfs/dbraw/zinc/38/65/87/808386587.db2.gz YGDRTCURIXJRGW-UHFFFAOYSA-N 1 1 274.408 3.048 20 30 CGEDMO C=CCCC(=O)NCC[N@H+](CC)[C@H]1CCc2ccccc21 ZINC001267238217 808390796 /nfs/dbraw/zinc/39/07/96/808390796.db2.gz JYFOOJZNZNANFF-KRWDZBQOSA-N 1 1 286.419 3.078 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)CCCCCC ZINC001267278752 808402491 /nfs/dbraw/zinc/40/24/91/808402491.db2.gz PPUDQSLXYKFUOP-SJORKVTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](CNC(=O)CC(C)(C)CC)C1 ZINC001267294750 808406885 /nfs/dbraw/zinc/40/68/85/808406885.db2.gz MCYFSYKPLAQPPE-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC1(C(=O)NCC[N@H+](C(C)C)C2CC2)CCCC1 ZINC001267339208 808418784 /nfs/dbraw/zinc/41/87/84/808418784.db2.gz YGAFZPUXULDRJQ-UHFFFAOYSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)C ZINC001267423502 808425117 /nfs/dbraw/zinc/42/51/17/808425117.db2.gz PWBATOJFFGGFEY-YESZJQIVSA-N 1 1 292.467 3.310 20 30 CGEDMO C#CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H](CC)CCCC)C1 ZINC001267449808 808427340 /nfs/dbraw/zinc/42/73/40/808427340.db2.gz GCRVOOHGNBFSSF-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H](CC)CCCC)C1 ZINC001267449808 808427341 /nfs/dbraw/zinc/42/73/41/808427341.db2.gz GCRVOOHGNBFSSF-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)C=C(CC)CC)C1 ZINC001267455226 808427451 /nfs/dbraw/zinc/42/74/51/808427451.db2.gz WROREHJEIQUVIB-INIZCTEOSA-N 1 1 278.440 3.232 20 30 CGEDMO COC(=O)[C@@H]1CCC[C@H]([NH2+]C2(C#N)CCCCCC2)CC1 ZINC001172767685 808435755 /nfs/dbraw/zinc/43/57/55/808435755.db2.gz JYKMOTHELJLELI-CABCVRRESA-N 1 1 292.423 3.314 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](N(CCC)C(=O)C2CCC2)C1 ZINC001267539748 808442342 /nfs/dbraw/zinc/44/23/42/808442342.db2.gz PVCUCAWOZDYTDM-RDJZCZTQSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H](C)C2CCC2)C1 ZINC001267544861 808443932 /nfs/dbraw/zinc/44/39/32/808443932.db2.gz UXOQPAZTVDDJNH-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CCC(=O)N(CCC)[C@H]1CC[N@@H+](CC[C@H](C)F)C1 ZINC001267542517 808444374 /nfs/dbraw/zinc/44/43/74/808444374.db2.gz YIUGRODEJGAOSY-HOTGVXAUSA-N 1 1 298.446 3.404 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001267547166 808444648 /nfs/dbraw/zinc/44/46/48/808444648.db2.gz VMOGMVOXWGJTGV-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CCC(=O)NCC[C@@H]1CC[N@H+](CC2CC(C)C2)C1 ZINC001267559284 808445764 /nfs/dbraw/zinc/44/57/64/808445764.db2.gz RIWHKUJTTDQYNY-AQFXKWCLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](CCNC(=O)C(C)=C2CCCC2)C1 ZINC001267553068 808446037 /nfs/dbraw/zinc/44/60/37/808446037.db2.gz BCGZIYIGXGJLPO-MRXNPFEDSA-N 1 1 290.451 3.281 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC2(C)C)C1 ZINC001267565318 808448329 /nfs/dbraw/zinc/44/83/29/808448329.db2.gz ZMVSYGSEPHHPKG-HOTGVXAUSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC(C)(C)C(=O)NCC[C@@H]1CC[N@H+](CCC(=C)C)C1 ZINC001267566105 808449237 /nfs/dbraw/zinc/44/92/37/808449237.db2.gz BHIPXEGFVHYQOF-MRXNPFEDSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(C)cs2)C1 ZINC001267581121 808452198 /nfs/dbraw/zinc/45/21/98/808452198.db2.gz JBXMMPQOERIIKU-AWEZNQCLSA-N 1 1 292.448 3.027 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001267618289 808459383 /nfs/dbraw/zinc/45/93/83/808459383.db2.gz ZZHFZQGFWDRYSJ-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCN(C(=O)C(CCC)CCC)C1 ZINC001267684218 808470532 /nfs/dbraw/zinc/47/05/32/808470532.db2.gz NMWJJXVACDUIEQ-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CC1 ZINC001267705780 808473577 /nfs/dbraw/zinc/47/35/77/808473577.db2.gz NLBUJYZZLORPKJ-GJZGRUSLSA-N 1 1 278.440 3.042 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)=C1CCC1 ZINC001267706373 808473840 /nfs/dbraw/zinc/47/38/40/808473840.db2.gz LXKRUDLEOOOTDN-COXVUDFISA-N 1 1 288.435 3.127 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC001267728528 808479240 /nfs/dbraw/zinc/47/92/40/808479240.db2.gz DBZOZQJMAGMTOV-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)C(C)(C)F)C1 ZINC001267780372 808490032 /nfs/dbraw/zinc/49/00/32/808490032.db2.gz MWKSUCOPAOHXHS-UONOGXRCSA-N 1 1 284.419 3.012 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H](CC)SC)C1 ZINC001267784166 808492429 /nfs/dbraw/zinc/49/24/29/808492429.db2.gz NXTOOBHUMJAELU-GJZGRUSLSA-N 1 1 298.496 3.017 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)C[C@H]2CC=CCC2)C1 ZINC001267792028 808493836 /nfs/dbraw/zinc/49/38/36/808493836.db2.gz SUDBVYHGNIOCEP-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](C2CCC3(CCOCC3)CC2)C1 ZINC001173049841 808499523 /nfs/dbraw/zinc/49/95/23/808499523.db2.gz ISEUTFYGVBDRTL-HNNXBMFYSA-N 1 1 276.424 3.351 20 30 CGEDMO C#CC[N@H+](C)[C@@H](C)Cc1ccc(OC(F)(F)F)cc1 ZINC001173088309 808504341 /nfs/dbraw/zinc/50/43/41/808504341.db2.gz QPTPHDJVQRGTCW-NSHDSACASA-N 1 1 271.282 3.081 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)/C=C(\C)CC)C1 ZINC001267931507 808516367 /nfs/dbraw/zinc/51/63/67/808516367.db2.gz UNSHWFVNYPTCQS-KBYULJEUSA-N 1 1 278.440 3.278 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)CCCC[C@@H](C)CC)C1 ZINC001267937704 808518025 /nfs/dbraw/zinc/51/80/25/808518025.db2.gz SYPURAVQGLWQKQ-DLBZAZTESA-N 1 1 292.467 3.197 20 30 CGEDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](CC#N)C1 ZINC001173228427 808540997 /nfs/dbraw/zinc/54/09/97/808540997.db2.gz WMLBDWOLOCPSFL-UKRRQHHQSA-N 1 1 287.363 3.151 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173227599 808541520 /nfs/dbraw/zinc/54/15/20/808541520.db2.gz RFEDWMGIASTOCB-ZDUSSCGKSA-N 1 1 275.352 3.151 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)/C=C(/C)C1CC1 ZINC001268232653 808564696 /nfs/dbraw/zinc/56/46/96/808564696.db2.gz KZQQOIFXQZLLJQ-PLFFATQSSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C[C@H](CC)CC(=O)N(C)CC[N@@H+](C)CC1=CCCCC1 ZINC001268244554 808568335 /nfs/dbraw/zinc/56/83/35/808568335.db2.gz DFOGZJIOISHZPK-MRXNPFEDSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)c1ccc2ccccc2c1 ZINC001268255653 808569237 /nfs/dbraw/zinc/56/92/37/808569237.db2.gz JDRCSWRBOPMKJN-UHFFFAOYSA-N 1 1 296.414 3.420 20 30 CGEDMO C=CCC[C@H](C)[NH+]1CC(NC(=O)c2cscc2Cl)C1 ZINC001268328013 808577711 /nfs/dbraw/zinc/57/77/11/808577711.db2.gz MUCONLYXGNYHHQ-JTQLQIEISA-N 1 1 298.839 3.170 20 30 CGEDMO CCCCCCCC[C@H](CCC)[N@@H+]1C[C@H](CO)[C@H](O)C1 ZINC001173309189 808605092 /nfs/dbraw/zinc/60/50/92/808605092.db2.gz GKONLYQCLDRROZ-IXDOHACOSA-N 1 1 285.472 3.191 20 30 CGEDMO C=CCOC1CCC([N@H+]2CC[C@@]3(C2)CCCCO3)CC1 ZINC001173322142 808610971 /nfs/dbraw/zinc/61/09/71/808610971.db2.gz WGOWSZQVHNHFOE-OFLPRAFFSA-N 1 1 279.424 3.145 20 30 CGEDMO C=CCOC1CCC([N@H+]2CC[C@@H](COCC3CC3)C2)CC1 ZINC001173326534 808612455 /nfs/dbraw/zinc/61/24/55/808612455.db2.gz JMNZYBBCSAYCTB-WWDZGPRUSA-N 1 1 293.451 3.249 20 30 CGEDMO C=CCOC1CCC([N@H+]2CCC[C@@H](C(F)F)C2)CC1 ZINC001173327884 808613803 /nfs/dbraw/zinc/61/38/03/808613803.db2.gz VCPNJGWDFMAMNP-IYXRBSQSSA-N 1 1 273.367 3.477 20 30 CGEDMO C=CCOC1CCC([N@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC001173327532 808614775 /nfs/dbraw/zinc/61/47/75/808614775.db2.gz NQUGIWMQLFAXLV-FHERZECASA-N 1 1 262.397 3.126 20 30 CGEDMO N#CCC1CCC([N@@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)CC1 ZINC001173331399 808616204 /nfs/dbraw/zinc/61/62/04/808616204.db2.gz OWGUCBIQMBJLKC-FJBKBRRZSA-N 1 1 274.408 3.292 20 30 CGEDMO N#CCC1CCC([NH+]2CCN(C3CCCC3)CC2)CC1 ZINC001173335538 808616930 /nfs/dbraw/zinc/61/69/30/808616930.db2.gz PZVUXAXUAADAHR-UHFFFAOYSA-N 1 1 275.440 3.019 20 30 CGEDMO C=C(C)CCC(=O)N[C@H](C)C[N@@H+](C)CC1CC(C)(C)C1 ZINC001268733222 808618366 /nfs/dbraw/zinc/61/83/66/808618366.db2.gz ULTOHCVRRHYVER-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO N#CCC1CCC([N@H+]2CCC[C@H](Oc3ccncc3)C2)CC1 ZINC001173339443 808620029 /nfs/dbraw/zinc/62/00/29/808620029.db2.gz HSWDEBMEHYNONQ-HTWSVDAQSA-N 1 1 299.418 3.397 20 30 CGEDMO C=CC[N@H+]([C@H](C)CCCCC(=O)OC)C(C)(C)C ZINC001173460388 808641224 /nfs/dbraw/zinc/64/12/24/808641224.db2.gz XBZCZYXOZKZOHS-CYBMUJFWSA-N 1 1 255.402 3.395 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1=CCCC1 ZINC001268935008 808636744 /nfs/dbraw/zinc/63/67/44/808636744.db2.gz NHIWWCGRVOUWHP-IRXDYDNUSA-N 1 1 288.435 3.128 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C1CC1 ZINC001268935250 808636848 /nfs/dbraw/zinc/63/68/48/808636848.db2.gz QRQNMBFQPFISGZ-XIRDDKMYSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@H]2C[N@H+](C3CCCC3)C[C@H]21 ZINC001268985006 808640650 /nfs/dbraw/zinc/64/06/50/808640650.db2.gz CECJYEVOJIWQDV-GOEBONIOSA-N 1 1 290.451 3.064 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)CC1 ZINC001173592652 808648796 /nfs/dbraw/zinc/64/87/96/808648796.db2.gz XLGMMBZHZBAGJC-GWUWNPHMSA-N 1 1 274.408 3.292 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001269165893 808651379 /nfs/dbraw/zinc/65/13/79/808651379.db2.gz NTXZZJSSOLGTBP-CRAIPNDOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)C=C1CCCCC1 ZINC001269204076 808655021 /nfs/dbraw/zinc/65/50/21/808655021.db2.gz AIBBHQMFIPIFAM-DOTOQJQBSA-N 1 1 290.451 3.422 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](N(C)C(=O)c2ccoc2)C1 ZINC001269208989 808655976 /nfs/dbraw/zinc/65/59/76/808655976.db2.gz RSTQLUJCEGIXAK-MRXNPFEDSA-N 1 1 292.423 3.396 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@H]1CC[N@H+]1CCC(C)(C)C ZINC001269278998 808664344 /nfs/dbraw/zinc/66/43/44/808664344.db2.gz SUUHCHKDXVGALT-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(C)c1C ZINC001269337151 808671543 /nfs/dbraw/zinc/67/15/43/808671543.db2.gz HFCUQVBQHKARMC-MRXNPFEDSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@@]1(C)CCC(C)=C(C)C1 ZINC001269351808 808672837 /nfs/dbraw/zinc/67/28/37/808672837.db2.gz RJEDMMYJGLEJSD-WMZOPIPTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)[C@@]1(C)CCC(C)=C(C)C1 ZINC001269351808 808672842 /nfs/dbraw/zinc/67/28/42/808672842.db2.gz RJEDMMYJGLEJSD-WMZOPIPTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)/C=C(\C)CC)C2)C1 ZINC001269693682 808697339 /nfs/dbraw/zinc/69/73/39/808697339.db2.gz XYVJCZYOKFPEIE-QCUIPMNBSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@]2(CCN(C(=O)CCC=C)C2)C1 ZINC001269685759 808697940 /nfs/dbraw/zinc/69/79/40/808697940.db2.gz JUXFYMHAVCSOPS-SFHVURJKSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@]1(C)CCC[N@H+](CC(=C)C)C1 ZINC001270965273 808756763 /nfs/dbraw/zinc/75/67/63/808756763.db2.gz DNXFHYPDYSOJGB-SFHVURJKSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C/C=C(\C)C=C)C2 ZINC001271743609 808782407 /nfs/dbraw/zinc/78/24/07/808782407.db2.gz FUZIYGCJSOHEQL-FQIWGMNUSA-N 1 1 288.435 3.054 20 30 CGEDMO C=CC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](CCCCCC)C[C@@H]2C1 ZINC001271873534 808787001 /nfs/dbraw/zinc/78/70/01/808787001.db2.gz IVEPGLQZHDOVQI-IYBDPMFKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)CCN(C)C(=O)/C(C)=C/CC ZINC001271969349 808791045 /nfs/dbraw/zinc/79/10/45/808791045.db2.gz HKBSKFVQIQVJOY-YVGNARHYSA-N 1 1 266.429 3.088 20 30 CGEDMO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2C[C@@H](C)CC ZINC001272423043 808807377 /nfs/dbraw/zinc/80/73/77/808807377.db2.gz TUBHAZMPHUIIGI-RDJZCZTQSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CN1CC[C@]2(CCC[N@@H+](CC3CCC3)CC2)C1=O ZINC001272517621 808815250 /nfs/dbraw/zinc/81/52/50/808815250.db2.gz VSTAJTFGPCZHCD-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC1(C)CCCCC1 ZINC001273450758 808846006 /nfs/dbraw/zinc/84/60/06/808846006.db2.gz PDTPVOAVWTXVBC-HZPDHXFCSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@]2(CCN(CCCC)C2=O)CC1 ZINC001273486071 808847878 /nfs/dbraw/zinc/84/78/78/808847878.db2.gz BTSSHANXYNVZAV-SFHVURJKSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+](CC)C2)C1 ZINC001273598904 808856712 /nfs/dbraw/zinc/85/67/12/808856712.db2.gz KDRSKZBPOAYFTC-IAGOWNOFSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CCC(=O)N1CCCC[C@H]1[C@H]1CCC[N@H+](CC)C1 ZINC001273607450 808857510 /nfs/dbraw/zinc/85/75/10/808857510.db2.gz NPJDLPOLBDHBPL-IRXDYDNUSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CC(C)(C)C2CC2)C[C@@H]1C ZINC001274623348 808879538 /nfs/dbraw/zinc/87/95/38/808879538.db2.gz LFDVMQPFNXOMIS-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C#CCC[N@H+](CC)CC1CCN(C(=O)[C@@H](C)CCC)CC1 ZINC001274945552 808893987 /nfs/dbraw/zinc/89/39/87/808893987.db2.gz PPWMPZRZZGZVJZ-INIZCTEOSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCCC[N@H+]1CCCC2(CN(C3CCCC3)C2)C1 ZINC001274964429 808894908 /nfs/dbraw/zinc/89/49/08/808894908.db2.gz MEHGSZTVJDYBPD-UHFFFAOYSA-N 1 1 262.441 3.293 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)C[C@@H]1C=CCC1 ZINC001275088355 808907047 /nfs/dbraw/zinc/90/70/47/808907047.db2.gz UVJIRBPHTAYUOO-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)C1(C)CC1 ZINC001275107528 808909359 /nfs/dbraw/zinc/90/93/59/808909359.db2.gz DQOVYDLZYDFEIK-CABCVRRESA-N 1 1 278.440 3.064 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)NC(C)C ZINC001275131111 808914100 /nfs/dbraw/zinc/91/41/00/808914100.db2.gz NNHLATROEDTYDH-HOTGVXAUSA-N 1 1 295.471 3.223 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@H]1C[N@H+](C)C[C@H](F)CC ZINC001275151330 808917104 /nfs/dbraw/zinc/91/71/04/808917104.db2.gz ZTMTZNFNPQAPQT-CABCVRRESA-N 1 1 298.446 3.260 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@@H]([C@@H]2CC[N@H+](CC)C2)C1 ZINC001275183405 808919691 /nfs/dbraw/zinc/91/96/91/808919691.db2.gz FNKNLXIPKMIKRI-HZPDHXFCSA-N 1 1 292.467 3.169 20 30 CGEDMO N#Cc1cc(F)cc(F)c1Nc1ccc2[nH+]ccn2c1 ZINC001174280446 808929697 /nfs/dbraw/zinc/92/96/97/808929697.db2.gz WSDBOXMZPUXXQR-UHFFFAOYSA-N 1 1 270.242 3.228 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)/C=C\C(C)(C)C ZINC001275521075 808943710 /nfs/dbraw/zinc/94/37/10/808943710.db2.gz MHMWESKIWRDZIM-HRFGFKIASA-N 1 1 280.456 3.380 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)/C=C/C(C)(C)C ZINC001275521074 808944677 /nfs/dbraw/zinc/94/46/77/808944677.db2.gz MHMWESKIWRDZIM-BOXZDTQESA-N 1 1 280.456 3.380 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)c1cc2ccccc2o1 ZINC001275714402 808960188 /nfs/dbraw/zinc/96/01/88/808960188.db2.gz WGGHTGCDBGQRSV-CYBMUJFWSA-N 1 1 286.375 3.059 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)c1c(C)oc(C)c1C ZINC001275873450 808972516 /nfs/dbraw/zinc/97/25/16/808972516.db2.gz KSHWJLCPABUZCV-LBPRGKRZSA-N 1 1 292.423 3.221 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@H]2CN(Cc3ccc[nH]3)C[C@H]21 ZINC001276035525 808984866 /nfs/dbraw/zinc/98/48/66/808984866.db2.gz ITQJEYPAEUGRNA-FUHWJXTLSA-N 1 1 287.451 3.267 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCCC[N@H+]1CC1CC1 ZINC001276312381 809001475 /nfs/dbraw/zinc/00/14/75/809001475.db2.gz QDRAYLLTMILWIP-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)/C=C\C(C)(C)C ZINC001276809654 809033578 /nfs/dbraw/zinc/03/35/78/809033578.db2.gz MATRFAAGGNACPZ-ACVZPDSXSA-N 1 1 278.440 3.134 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)CC1CCCCCC1 ZINC001276933384 809047785 /nfs/dbraw/zinc/04/77/85/809047785.db2.gz WSHJSDBUJRUTLU-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)C(C)(C)F)C1CCCCCC1 ZINC001277369126 809070731 /nfs/dbraw/zinc/07/07/31/809070731.db2.gz UEHLVFNIDYJOJK-UHFFFAOYSA-N 1 1 298.446 3.452 20 30 CGEDMO N#CCCN1CCC[C@@]2(CCC[N@H+](C3CCCC3)C2)C1 ZINC001277939232 809107732 /nfs/dbraw/zinc/10/77/32/809107732.db2.gz PORFEKSULIRSGV-QGZVFWFLSA-N 1 1 275.440 3.021 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@](C)(NC(=O)c2ccc[nH]2)C1 ZINC001278356136 809127164 /nfs/dbraw/zinc/12/71/64/809127164.db2.gz GZKCWYIEIJPHKK-QGZVFWFLSA-N 1 1 291.439 3.179 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)CCCC)C1 ZINC001278364662 809128440 /nfs/dbraw/zinc/12/84/40/809128440.db2.gz XOCRFGJJYANIKO-GOEBONIOSA-N 1 1 266.429 3.112 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)c2c(C)coc2C)C1 ZINC001278389674 809129851 /nfs/dbraw/zinc/12/98/51/809129851.db2.gz WVNBULAVJLSGKF-QGZVFWFLSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@]2(C)CC=CCC2)C1 ZINC001278662664 809150793 /nfs/dbraw/zinc/15/07/93/809150793.db2.gz DPUHIBCTOZIVNY-QZTJIDSGSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCCC(=O)N1C[C@@H]2C[N@@H+](C[C@H](C)CC(C)C)C[C@@H]2C1 ZINC001279347867 809170833 /nfs/dbraw/zinc/17/08/33/809170833.db2.gz VRGNZOFVSHPNQI-ZACQAIPSSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)/C(C)=C/C)CC1 ZINC001279527229 809173100 /nfs/dbraw/zinc/17/31/00/809173100.db2.gz CCOLTSJSOFCVLU-SXSSENBOSA-N 1 1 276.424 3.056 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@@H](C)CC)[C@@H]2C1 ZINC001279613100 809175850 /nfs/dbraw/zinc/17/58/50/809175850.db2.gz MGMLBGMMNVXBHD-YESZJQIVSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]2C[N@H+](C[C@@H](F)CC)C[C@H]21 ZINC001279624568 809176328 /nfs/dbraw/zinc/17/63/28/809176328.db2.gz MCDGNUMDDMOETK-HRCADAONSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)/C=C(\C)C2CC2)CC1 ZINC001280709624 809196121 /nfs/dbraw/zinc/19/61/21/809196121.db2.gz OSLXYMDXBRZSHB-PABFRNLHSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)C2(CC=C)CCC2)CC1 ZINC001280756881 809197695 /nfs/dbraw/zinc/19/76/95/809197695.db2.gz PPNSSIJKSIQBHY-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001280821753 809200150 /nfs/dbraw/zinc/20/01/50/809200150.db2.gz ITQYEIQRUDKKEN-MRXNPFEDSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)C2CCC2)C(C)(C)C1 ZINC001281537218 809213913 /nfs/dbraw/zinc/21/39/13/809213913.db2.gz VKSBJFFNCKXRMI-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[N@H+](CCC=C)CC1(C)C ZINC001281553345 809214712 /nfs/dbraw/zinc/21/47/12/809214712.db2.gz PSHANWPYXQHZNH-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)CCC1CC1 ZINC001281928522 809223441 /nfs/dbraw/zinc/22/34/41/809223441.db2.gz LINJXABFESBFIA-RDJZCZTQSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@H]1C[N@@H+](C)CC=C(C)C ZINC001281953458 809225252 /nfs/dbraw/zinc/22/52/52/809225252.db2.gz WBUYSDWGMUZDOR-HNNXBMFYSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C1CCC(=C)CC1 ZINC001281958037 809226660 /nfs/dbraw/zinc/22/66/60/809226660.db2.gz XDKZAYJAPWZSMB-KRWDZBQOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)C1CCC(=C)CC1 ZINC001281958038 809226959 /nfs/dbraw/zinc/22/69/59/809226959.db2.gz XDKZAYJAPWZSMB-QGZVFWFLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)CC1CCCC1 ZINC001282344347 809242353 /nfs/dbraw/zinc/24/23/53/809242353.db2.gz VPTRZOXOHLDMPF-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1cc(C)[nH]c1C ZINC001282467877 809250438 /nfs/dbraw/zinc/25/04/38/809250438.db2.gz KCCXAKNGRDMESC-UONOGXRCSA-N 1 1 291.439 3.036 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)Cc1ccc(C)s1 ZINC001282497929 809252939 /nfs/dbraw/zinc/25/29/39/809252939.db2.gz TXLMONNVCLQTID-CYBMUJFWSA-N 1 1 294.464 3.002 20 30 CGEDMO C=CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](F)CC ZINC001282667244 809258444 /nfs/dbraw/zinc/25/84/44/809258444.db2.gz XETYEPMETGWTQC-LSDHHAIUSA-N 1 1 284.419 3.062 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1C[N@@H+](CC(C)C)CC1(C)C ZINC001282819459 809263133 /nfs/dbraw/zinc/26/31/33/809263133.db2.gz BAOSFTTXYLTYEH-YOEHRIQHSA-N 1 1 280.456 3.071 20 30 CGEDMO CC[C@H](C)C[N@@H+](C)C1CCN(C(=O)C#CC(C)(C)C)CC1 ZINC001283306825 809275343 /nfs/dbraw/zinc/27/53/43/809275343.db2.gz HKKQCILITRTLFD-HNNXBMFYSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)C(C)(C)C(=C)C)CC1 ZINC001283320607 809275707 /nfs/dbraw/zinc/27/57/07/809275707.db2.gz YVHKRMZJDRRZNE-UHFFFAOYSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)CCC2(C)CC2)CC1 ZINC001283333874 809276798 /nfs/dbraw/zinc/27/67/98/809276798.db2.gz FDUZLRWUUJLHGZ-UHFFFAOYSA-N 1 1 298.858 3.242 20 30 CGEDMO C#CCCCCCC(=O)N[C@]12CCC[C@H]1[N@@H+](C(C)C)CC2 ZINC001284071777 809295273 /nfs/dbraw/zinc/29/52/73/809295273.db2.gz ZMLHZMUFGQETGK-AEFFLSMTSA-N 1 1 290.451 3.092 20 30 CGEDMO C=C(C)CCC(=O)N[C@@]12CCC[C@H]1[N@@H+](CC(C)C)CC2 ZINC001284057224 809295285 /nfs/dbraw/zinc/29/52/85/809295285.db2.gz KGTZBDVUQAUUHA-NVXWUHKLSA-N 1 1 278.440 3.112 20 30 CGEDMO N#Cc1cc(Nc2ccc3c[nH+]ccc3c2)ccc1N ZINC001213436180 815281524 /nfs/dbraw/zinc/28/15/24/815281524.db2.gz VFDLTKMPEVKYCM-UHFFFAOYSA-N 1 1 260.300 3.432 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)[C@H]1[C@@H]2CCCC[C@@H]21)C(C)C ZINC001284530941 809307930 /nfs/dbraw/zinc/30/79/30/809307930.db2.gz WAJWLUHAXFFKQY-FVQHAEBGSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)CCCC(F)(F)F)C(C)C ZINC001284543433 809308819 /nfs/dbraw/zinc/30/88/19/809308819.db2.gz DHQKOFWGLOFRJK-UHFFFAOYSA-N 1 1 294.361 3.074 20 30 CGEDMO C=C[C@@H](C(=O)N(CC[N@H+](C)CC)C(C)C)c1ccccc1 ZINC001284559816 809310269 /nfs/dbraw/zinc/31/02/69/809310269.db2.gz ZTFXQDXGJYQZMM-QGZVFWFLSA-N 1 1 288.435 3.145 20 30 CGEDMO C#CC[N@H+](C)CCN(C(=O)[C@@H]1CCCCC1(C)C)C(C)C ZINC001284561645 809310286 /nfs/dbraw/zinc/31/02/86/809310286.db2.gz CXTWVJBFIPVQKV-INIZCTEOSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC=C(CNC(=O)C2(C)CCC2)CC1 ZINC001284947098 809321200 /nfs/dbraw/zinc/32/12/00/809321200.db2.gz QHLYIPGGKAQWRV-OAHLLOKOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)C[C@H](C)CC(C)C)CC1 ZINC001284979559 809321601 /nfs/dbraw/zinc/32/16/01/809321601.db2.gz ZEZQBSHGJCGAQL-MRXNPFEDSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)C[C@H]2CC=CCC2)CC1 ZINC001284947003 809321729 /nfs/dbraw/zinc/32/17/29/809321729.db2.gz OERVORZEHUIUDI-INIZCTEOSA-N 1 1 288.435 3.057 20 30 CGEDMO C[N@H+]1CCC=C(Nc2c(C#N)cccc2C(F)(F)F)C1 ZINC001175580256 809460365 /nfs/dbraw/zinc/46/03/65/809460365.db2.gz LOULYYUCUDMLFJ-UHFFFAOYSA-N 1 1 281.281 3.208 20 30 CGEDMO C[N@@H+]1CCC=C(Nc2ccc(Cl)c(C#N)c2Cl)C1 ZINC001175582934 809463079 /nfs/dbraw/zinc/46/30/79/809463079.db2.gz QTZOEEJJLNNWGS-UHFFFAOYSA-N 1 1 282.174 3.496 20 30 CGEDMO C[N@H+]1CCC=C(Nc2ccc(Cl)c(C#N)c2Cl)C1 ZINC001175582934 809463082 /nfs/dbraw/zinc/46/30/82/809463082.db2.gz QTZOEEJJLNNWGS-UHFFFAOYSA-N 1 1 282.174 3.496 20 30 CGEDMO CCC1(CC)CCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC001175897911 809565808 /nfs/dbraw/zinc/56/58/08/809565808.db2.gz GOJOPIMCKDQZJN-UHFFFAOYSA-N 1 1 285.391 3.151 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC001176070301 809613926 /nfs/dbraw/zinc/61/39/26/809613926.db2.gz PMFVWUWJSNAIEL-GFCCVEGCSA-N 1 1 283.293 3.430 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](CCOc2ccc(SC)cc2)C1 ZINC001176071421 809613965 /nfs/dbraw/zinc/61/39/65/809613965.db2.gz YHUAZQGESRYHSX-CQSZACIVSA-N 1 1 275.417 3.133 20 30 CGEDMO C=CCCCCC[N@@H+]1CCN(C)C[C@H]1CC(C)C ZINC001176432605 809695724 /nfs/dbraw/zinc/69/57/24/809695724.db2.gz PSBYKQHEWAMYMD-MRXNPFEDSA-N 1 1 252.446 3.395 20 30 CGEDMO Cc1cc([C@@H]2CCCC[N@@H+]2Cc2cccc(C#N)c2)[nH]n1 ZINC001176484338 809706006 /nfs/dbraw/zinc/70/60/06/809706006.db2.gz FXAYPSZMZXUXJG-KRWDZBQOSA-N 1 1 280.375 3.317 20 30 CGEDMO Cc1cc([C@@H]2CCCC[N@H+]2Cc2cccc(C#N)c2)[nH]n1 ZINC001176484338 809706008 /nfs/dbraw/zinc/70/60/08/809706008.db2.gz FXAYPSZMZXUXJG-KRWDZBQOSA-N 1 1 280.375 3.317 20 30 CGEDMO CC[NH+](CC)CC[C@@H](C)NCc1ccc(C2(C#N)CC2)cc1 ZINC001179830769 809948450 /nfs/dbraw/zinc/94/84/50/809948450.db2.gz VWVKHRMBAFPDKL-MRXNPFEDSA-N 1 1 299.462 3.452 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC)o1)Cc1ccc(OC)cc1 ZINC001179965945 809963207 /nfs/dbraw/zinc/96/32/07/809963207.db2.gz CKHASNOPDFPVKL-UHFFFAOYSA-N 1 1 287.359 3.485 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)o1)Cc1ccc(OC)cc1 ZINC001179965945 809963212 /nfs/dbraw/zinc/96/32/12/809963212.db2.gz CKHASNOPDFPVKL-UHFFFAOYSA-N 1 1 287.359 3.485 20 30 CGEDMO COc1ccc(SCC[N@H+](C)[C@@H](C)CC#N)cc1 ZINC001180030418 809968677 /nfs/dbraw/zinc/96/86/77/809968677.db2.gz LPEIKYQNKXHRSV-LBPRGKRZSA-N 1 1 264.394 3.021 20 30 CGEDMO COc1ccc(SCC[N@@H+](C)[C@@H](C)CC#N)cc1 ZINC001180030418 809968680 /nfs/dbraw/zinc/96/86/80/809968680.db2.gz LPEIKYQNKXHRSV-LBPRGKRZSA-N 1 1 264.394 3.021 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](CCN(C)C)CC1CCCCC1 ZINC001181471968 810054705 /nfs/dbraw/zinc/05/47/05/810054705.db2.gz MAOXERXCYMRYJZ-MRXNPFEDSA-N 1 1 279.472 3.370 20 30 CGEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC001181872002 810077149 /nfs/dbraw/zinc/07/71/49/810077149.db2.gz ZLLGCEPOTXEJHZ-HKUYNNGSSA-N 1 1 295.430 3.245 20 30 CGEDMO CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc([C@H](C)C#N)cc1 ZINC001181997608 810088024 /nfs/dbraw/zinc/08/80/24/810088024.db2.gz IVQSRAWUQWTPGQ-CZUORRHYSA-N 1 1 285.391 3.127 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2ccc(Br)nc2)C1 ZINC001182542062 810113960 /nfs/dbraw/zinc/11/39/60/810113960.db2.gz AXQZDVTXNKPPIC-LBPRGKRZSA-N 1 1 293.208 3.079 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(Br)nc2)C1 ZINC001182542062 810113963 /nfs/dbraw/zinc/11/39/63/810113963.db2.gz AXQZDVTXNKPPIC-LBPRGKRZSA-N 1 1 293.208 3.079 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)/C=C(\C)CC)[C@@H]2C1 ZINC001187811794 810426574 /nfs/dbraw/zinc/42/65/74/810426574.db2.gz FNZRIHIRDAVVRU-GKRFFDPFSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CCCCC)C1 ZINC001188916423 810523224 /nfs/dbraw/zinc/52/32/24/810523224.db2.gz YIAPAULIJMZECQ-JKSUJKDBSA-N 1 1 280.456 3.454 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)CC(C)(C)C)[C@@H]2C1 ZINC001189230339 810550084 /nfs/dbraw/zinc/55/00/84/810550084.db2.gz MUTRFANYTIBYJZ-HRCADAONSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)C(C)C)C1 ZINC001189328893 810560654 /nfs/dbraw/zinc/56/06/54/810560654.db2.gz WIDRIHVLJYNMGE-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)CCCCC)[C@@H]2C1 ZINC001189343034 810561094 /nfs/dbraw/zinc/56/10/94/810561094.db2.gz YMSSOWQYLOWBNR-IXDOHACOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)CCCC(C)(C)C)C1 ZINC001189379084 810565094 /nfs/dbraw/zinc/56/50/94/810565094.db2.gz GGMUEJQTBPATLZ-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)CCCCC(C)C)[C@@H]2C1 ZINC001189463217 810571921 /nfs/dbraw/zinc/57/19/21/810571921.db2.gz WUOGLUUILCMPEE-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C(C)=C2CCCC2)C1 ZINC001189604040 810581417 /nfs/dbraw/zinc/58/14/17/810581417.db2.gz PKIJWFZJIDEGMR-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)C=C2CCC2)C1 ZINC001189611875 810582409 /nfs/dbraw/zinc/58/24/09/810582409.db2.gz XBHMIPDPCUKYDM-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](CC)C(C)C)[C@@H]2C1 ZINC001189879373 810592344 /nfs/dbraw/zinc/59/23/44/810592344.db2.gz BONVFIINIFVMPK-IXDOHACOSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)c2cc(C)cs2)C1 ZINC001189983800 810600875 /nfs/dbraw/zinc/60/08/75/810600875.db2.gz OCOLRPOJSCAOPR-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO CC1CCC([N@@H+](Cc2cc(C#N)ccn2)C2CC2)CC1 ZINC001190399336 810626466 /nfs/dbraw/zinc/62/64/66/810626466.db2.gz JZGPFMXEDHQWOJ-UHFFFAOYSA-N 1 1 269.392 3.496 20 30 CGEDMO CC[N@H+](Cc1ccccc1F)C[C@@H](O)c1cccc(C#N)c1 ZINC001190628298 810640509 /nfs/dbraw/zinc/64/05/09/810640509.db2.gz VLXLNEOAVCOEGF-GOSISDBHSA-N 1 1 298.361 3.253 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)C2CCCC2)C1 ZINC001190696452 810643625 /nfs/dbraw/zinc/64/36/25/810643625.db2.gz KARFNCGZFZEGDI-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO Cc1ccccc1C[C@H]1CCC[N@H+]1Cc1cc(C#N)ccn1 ZINC001191077433 810672079 /nfs/dbraw/zinc/67/20/79/810672079.db2.gz KRFZRZQRTPXBDE-LJQANCHMSA-N 1 1 291.398 3.469 20 30 CGEDMO C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)CCCCCC)C1 ZINC001191719205 810732604 /nfs/dbraw/zinc/73/26/04/810732604.db2.gz JTSDKMRUGNQOBF-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]([N@@H+](C)CC2CCCC2)C1 ZINC001191902488 810755584 /nfs/dbraw/zinc/75/55/84/810755584.db2.gz OZTMLESMRRVGLP-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]([N@@H+](C)CC=C(C)C)C1 ZINC001191902060 810756393 /nfs/dbraw/zinc/75/63/93/810756393.db2.gz MAZHCBKJIZQWDB-HZPDHXFCSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)CC)C1 ZINC001192048277 810767058 /nfs/dbraw/zinc/76/70/58/810767058.db2.gz YDRKBVUHYTWSCI-LSDHHAIUSA-N 1 1 280.456 3.310 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)C2(C)CCCCC2)C1 ZINC001192159861 810772683 /nfs/dbraw/zinc/77/26/83/810772683.db2.gz ABQQIJXPWXHQJR-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C2(CCCC)CC2)C1 ZINC001192189617 810774378 /nfs/dbraw/zinc/77/43/78/810774378.db2.gz GLQWBMGVRMXRHL-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC1(C(=O)N2CC[C@@H]([N@H+](C)C[C@@H](F)CC)C2)CC1 ZINC001192204984 810775418 /nfs/dbraw/zinc/77/54/18/810775418.db2.gz BBPJLSHTLIPRJA-LSDHHAIUSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)c2occc2Cl)C1 ZINC001192198677 810776003 /nfs/dbraw/zinc/77/60/03/810776003.db2.gz VFUUNDYGTIAYBI-LBPRGKRZSA-N 1 1 296.798 3.046 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@H]([N@@H+](C)C/C=C\Cl)C2)CCC1 ZINC001192226616 810778157 /nfs/dbraw/zinc/77/81/57/810778157.db2.gz KRYZBDWDTYSWSF-MFNCVGGLSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001192237364 810780562 /nfs/dbraw/zinc/78/05/62/810780562.db2.gz GSRZQXWWWLXVHW-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)CC/C=C/c2ccccc2)C1 ZINC001192326974 810787947 /nfs/dbraw/zinc/78/79/47/810787947.db2.gz VZSKYTUCAGWOAZ-DBEXCURXSA-N 1 1 298.430 3.199 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)CCC(=C)C)C1 ZINC001192587014 810809589 /nfs/dbraw/zinc/80/95/89/810809589.db2.gz YMPHQTHJBVHSSW-OAHLLOKOSA-N 1 1 278.440 3.088 20 30 CGEDMO CCCCCCC[C@H](C)NC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC001192927704 810830439 /nfs/dbraw/zinc/83/04/39/810830439.db2.gz WCPJUUQAEOBMAF-JKSUJKDBSA-N 1 1 295.471 3.225 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)CC(C)C)C1 ZINC001193365144 810878574 /nfs/dbraw/zinc/87/85/74/810878574.db2.gz AZTXYMYUFURBKU-HNNXBMFYSA-N 1 1 280.456 3.168 20 30 CGEDMO CCC[N@@H+](CCCC(C)(C)C#N)[C@H](CC)C(=O)OCC ZINC001193364523 810878883 /nfs/dbraw/zinc/87/88/83/810878883.db2.gz MDLGUALUBUEQPV-CQSZACIVSA-N 1 1 282.428 3.370 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)CC(C)C)C1 ZINC001193408644 810884042 /nfs/dbraw/zinc/88/40/42/810884042.db2.gz OKQVTWHLYXTRBW-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO CC#CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001193417135 810885135 /nfs/dbraw/zinc/88/51/35/810885135.db2.gz MPLAYSDSRSASGN-HZPDHXFCSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001193432069 810888368 /nfs/dbraw/zinc/88/83/68/810888368.db2.gz GSDMWCKGKLXFKZ-CABCVRRESA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)C[C@H](CC)C(C)C)C1 ZINC001193570416 810911624 /nfs/dbraw/zinc/91/16/24/810911624.db2.gz JNMUTEGFIAJXEK-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001194173377 811026222 /nfs/dbraw/zinc/02/62/22/811026222.db2.gz AJCCTJXYCNKRLE-AEFFLSMTSA-N 1 1 290.451 3.232 20 30 CGEDMO C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)CCCCC)C1 ZINC001194182805 811029775 /nfs/dbraw/zinc/02/97/75/811029775.db2.gz GQBXDXXOZFVLOO-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CCCC)C(C)C)C1 ZINC001194336804 811054381 /nfs/dbraw/zinc/05/43/81/811054381.db2.gz MOOARUDEIHGFTQ-IAGOWNOFSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)C/C=C/c2ccc(C)cc2)C1 ZINC001194606059 811093474 /nfs/dbraw/zinc/09/34/74/811093474.db2.gz HEBCRLFGTBUYCT-QWNKOJSDSA-N 1 1 298.430 3.117 20 30 CGEDMO C#CCOCC[N@@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC001194607619 811095652 /nfs/dbraw/zinc/09/56/52/811095652.db2.gz JYFLUBVBNNHTQQ-OAHLLOKOSA-N 1 1 295.835 3.156 20 30 CGEDMO C=CCCCCC[N@H+]1CCCN(C(=O)CC2CC2)CC1 ZINC001194621687 811095966 /nfs/dbraw/zinc/09/59/66/811095966.db2.gz CJGFXLYWDGVPOO-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCCC(=O)N1CCC[N@H+]([C@H](C)c2ccccc2)CC1 ZINC001195233331 811229904 /nfs/dbraw/zinc/22/99/04/811229904.db2.gz SLENMOSXWGHPEY-MRXNPFEDSA-N 1 1 286.419 3.248 20 30 CGEDMO C#CCCCC(=O)N1CCC[N@H+](CCCC(C)(C)C)CC1 ZINC001195675765 811278736 /nfs/dbraw/zinc/27/87/36/811278736.db2.gz ZKLSHZDJASMRRP-UHFFFAOYSA-N 1 1 292.467 3.151 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Br)cc1)[C@@H](C)COC ZINC001196047681 811313367 /nfs/dbraw/zinc/31/33/67/811313367.db2.gz BHQSFNJLPYHECI-LBPRGKRZSA-N 1 1 298.224 3.472 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@H+](CC)[C@@H](C)CC)cc1 ZINC001196047920 811313636 /nfs/dbraw/zinc/31/36/36/811313636.db2.gz IDIWZFAMXDBILU-AWEZNQCLSA-N 1 1 272.392 3.117 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)C2(CC(C)C)CC2)CC1 ZINC001196127934 811320916 /nfs/dbraw/zinc/32/09/16/811320916.db2.gz BTVCLQSQZRWTFU-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C#CCCCCCC(=O)N1CCC[N@H+](CCCCC)CC1 ZINC001196754378 811362522 /nfs/dbraw/zinc/36/25/22/811362522.db2.gz SZYRKRRBJAGHOH-UHFFFAOYSA-N 1 1 292.467 3.295 20 30 CGEDMO C#CCCCCCC(=O)N1CCC[N@H+](CCC(=C)C)CC1 ZINC001196769353 811364718 /nfs/dbraw/zinc/36/47/18/811364718.db2.gz CMKVZCJWMFLPOQ-UHFFFAOYSA-N 1 1 290.451 3.071 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC[N@@H+](CC2CCCC2)CC1 ZINC001196889521 811378137 /nfs/dbraw/zinc/37/81/37/811378137.db2.gz FGICCEQDGLPNKG-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC[N@H+](CC/C=C/CC)CC1 ZINC001196890651 811380306 /nfs/dbraw/zinc/38/03/06/811380306.db2.gz VCBVOVGAQGIDGW-OZSKJFCKSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@H]2CC)CC1 ZINC001197062289 811394969 /nfs/dbraw/zinc/39/49/69/811394969.db2.gz OOTGYCOCRDJGKY-SJORKVTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@H](C)C(C)C)CC1 ZINC001197316118 811414215 /nfs/dbraw/zinc/41/42/15/811414215.db2.gz QQROMGYMURBUDB-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H](CCC)C(C)C)CC1 ZINC001197308850 811415030 /nfs/dbraw/zinc/41/50/30/811415030.db2.gz RGQXTDWDPCTOEH-INIZCTEOSA-N 1 1 280.456 3.169 20 30 CGEDMO CC#CC[N@@H+]1CCCN(C(=O)CCCCCC(C)C)CC1 ZINC001197361641 811419905 /nfs/dbraw/zinc/41/99/05/811419905.db2.gz RCVXZNJRHMAMLM-UHFFFAOYSA-N 1 1 292.467 3.151 20 30 CGEDMO CC#CC[N@H+]1CCCN(C(=O)CCCCCC(C)C)CC1 ZINC001197361641 811419913 /nfs/dbraw/zinc/41/99/13/811419913.db2.gz RCVXZNJRHMAMLM-UHFFFAOYSA-N 1 1 292.467 3.151 20 30 CGEDMO COCC#CC[N@@H+](CCCC(C)C)Cc1ccc(C)o1 ZINC001197778162 811452313 /nfs/dbraw/zinc/45/23/13/811452313.db2.gz SDSGRYHSHDPFLE-UHFFFAOYSA-N 1 1 277.408 3.476 20 30 CGEDMO C[C@@H]1Cc2n[nH]cc2C[N@H+](CCC2(C#N)CCCCC2)C1 ZINC001197785305 811452658 /nfs/dbraw/zinc/45/26/58/811452658.db2.gz CNPMJRDZECYULW-CQSZACIVSA-N 1 1 286.423 3.268 20 30 CGEDMO C[C@H]1CN(Cc2ccc(C#N)s2)CC[N@H+]1C1CCCC1 ZINC001197796440 811454463 /nfs/dbraw/zinc/45/44/63/811454463.db2.gz DNOHSVNBWKRNSL-ZDUSSCGKSA-N 1 1 289.448 3.068 20 30 CGEDMO C#CCC[N@@H+]1CCCN(C(=O)[C@@H](C)CCC(C)(C)C)CC1 ZINC001197842636 811457508 /nfs/dbraw/zinc/45/75/08/811457508.db2.gz LCVYAWMWAARAAC-INIZCTEOSA-N 1 1 292.467 3.006 20 30 CGEDMO C#CCC[N@@H+]1CCCN(C(=O)[C@H](C)CCC(C)(C)C)CC1 ZINC001197842638 811457674 /nfs/dbraw/zinc/45/76/74/811457674.db2.gz LCVYAWMWAARAAC-MRXNPFEDSA-N 1 1 292.467 3.006 20 30 CGEDMO C#CC[N@H+](CCC(=O)OC(C)C)[C@H]1CCCc2ccccc21 ZINC001198103874 811477100 /nfs/dbraw/zinc/47/71/00/811477100.db2.gz KPMYRMDSPGKCTA-SFHVURJKSA-N 1 1 299.414 3.341 20 30 CGEDMO C=CCCC[N@H+](CC)C[C@@](C)(O)c1ccc(F)cc1 ZINC001198458617 811505014 /nfs/dbraw/zinc/50/50/14/811505014.db2.gz XEJSIDGBFJSSTG-MRXNPFEDSA-N 1 1 265.372 3.321 20 30 CGEDMO C=CCCC[N@H+](CC)[C@@H](C)C(=O)NCc1ccccc1F ZINC001198457499 811505048 /nfs/dbraw/zinc/50/50/48/811505048.db2.gz BNJHWVVDMIJSBS-AWEZNQCLSA-N 1 1 292.398 3.119 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCc2cc(O)ccc2C1 ZINC001198828204 811546368 /nfs/dbraw/zinc/54/63/68/811546368.db2.gz KJPNMALCRPOAPY-ZDUSSCGKSA-N 1 1 278.355 3.383 20 30 CGEDMO CCCCCCCCCNC(=S)NC[C@H]1CCC[N@H+]1C ZINC001200378159 811684346 /nfs/dbraw/zinc/68/43/46/811684346.db2.gz NGHZMFRBOAQJTR-OAHLLOKOSA-N 1 1 299.528 3.295 20 30 CGEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](C[C@@H]1CC=CCC1)C2 ZINC001201415485 811834954 /nfs/dbraw/zinc/83/49/54/811834954.db2.gz CKHNGYMBUSHVSF-FGTMMUONSA-N 1 1 291.435 3.169 20 30 CGEDMO CCCCCCCCCCC[N@H+]1CCOC[C@@H](O)C1 ZINC001201631715 811925605 /nfs/dbraw/zinc/92/56/05/811925605.db2.gz YXLKNZIIVHTICD-INIZCTEOSA-N 1 1 271.445 3.210 20 30 CGEDMO CCCCCCCC[N@H+]1CCCN(C(=O)OC)CC1 ZINC001201804534 811966597 /nfs/dbraw/zinc/96/65/97/811966597.db2.gz OLEPATMYOQPHDP-UHFFFAOYSA-N 1 1 270.417 3.121 20 30 CGEDMO CCCCCCCC[N@H+]1CCC[C@@H](NC(=O)C2CC2)C1 ZINC001201839764 811969724 /nfs/dbraw/zinc/96/97/24/811969724.db2.gz IWDQVCOQZUMXMK-MRXNPFEDSA-N 1 1 280.456 3.338 20 30 CGEDMO CCCCCCCCC[N@H+]1CCOC[C@@H]1CC(=O)OC ZINC001201852863 811972349 /nfs/dbraw/zinc/97/23/49/811972349.db2.gz PGAFIMDJKKYQRA-HNNXBMFYSA-N 1 1 285.428 3.001 20 30 CGEDMO CCCCCCCCCCN1CC[NH+](CCCO)CC1 ZINC001201852774 811973198 /nfs/dbraw/zinc/97/31/98/811973198.db2.gz LAIUMAIYZBQSSF-UHFFFAOYSA-N 1 1 284.488 3.127 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccccc1Cl ZINC001202069801 812010543 /nfs/dbraw/zinc/01/05/43/812010543.db2.gz CTWXAJRZAVEWED-LBPRGKRZSA-N 1 1 293.798 3.112 20 30 CGEDMO C#Cc1cccc(C[NH2+]Cc2nc3ccccc3o2)c1 ZINC001202811567 812179129 /nfs/dbraw/zinc/17/91/29/812179129.db2.gz HPOCVCGBTBQCTO-UHFFFAOYSA-N 1 1 262.312 3.099 20 30 CGEDMO Cc1ccc(C[NH2+]Cc2ccc3nc[nH]c3c2)cc1C#N ZINC001203639750 812414063 /nfs/dbraw/zinc/41/40/63/812414063.db2.gz QIHCDSHBJJJNIV-UHFFFAOYSA-N 1 1 276.343 3.033 20 30 CGEDMO Cc1ccc(C)c(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)c1 ZINC001203743154 812449417 /nfs/dbraw/zinc/44/94/17/812449417.db2.gz MZOPPGKLNZODNT-OAHLLOKOSA-N 1 1 273.401 3.078 20 30 CGEDMO Cc1ccc(C)c(C[N@@H+]2CCC3SC(=O)C=C3C2)c1 ZINC001203743154 812449422 /nfs/dbraw/zinc/44/94/22/812449422.db2.gz MZOPPGKLNZODNT-OAHLLOKOSA-N 1 1 273.401 3.078 20 30 CGEDMO Cc1ccc(C)c(C[N@H+]2CCC3SC(=O)C=C3C2)c1 ZINC001203743154 812449425 /nfs/dbraw/zinc/44/94/25/812449425.db2.gz MZOPPGKLNZODNT-OAHLLOKOSA-N 1 1 273.401 3.078 20 30 CGEDMO CN1CCC([N@@H+](Cc2cccc(C#N)c2)C2CCCC2)CC1 ZINC001203765259 812458245 /nfs/dbraw/zinc/45/82/45/812458245.db2.gz YFDOCGSDFZVOIS-UHFFFAOYSA-N 1 1 297.446 3.397 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)c(OC)c1)C(C)(C)C ZINC001203839809 812473298 /nfs/dbraw/zinc/47/32/98/812473298.db2.gz DRKZTHCZBXJWER-UHFFFAOYSA-N 1 1 263.381 3.490 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)CCC1(F)F ZINC001203900283 812485873 /nfs/dbraw/zinc/48/58/73/812485873.db2.gz YCLYJQUMECPLFE-GFCCVEGCSA-N 1 1 264.319 3.425 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@H](F)CC2)ccc1F ZINC001205459100 812986613 /nfs/dbraw/zinc/98/66/13/812986613.db2.gz BLDUKJNLRCIFNM-ZDUSSCGKSA-N 1 1 250.292 3.021 20 30 CGEDMO N#CCCCCO[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001205656388 813044337 /nfs/dbraw/zinc/04/43/37/813044337.db2.gz RHCKLKDSQYZBRO-QGZVFWFLSA-N 1 1 272.392 3.361 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1cc(C)cc(Cl)c1 ZINC001206779415 813435417 /nfs/dbraw/zinc/43/54/17/813435417.db2.gz GQUBGMUKGRUWHV-UHFFFAOYSA-N 1 1 265.784 3.120 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@@H]2c2ccccc2F)cc1C#N ZINC001207106937 813486848 /nfs/dbraw/zinc/48/68/48/813486848.db2.gz YIRCSKJJFJKPPA-QGZVFWFLSA-N 1 1 283.350 3.373 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC(C)(C)CC)C1 ZINC001207128037 813492759 /nfs/dbraw/zinc/49/27/59/813492759.db2.gz ZZSNAMBSBNQQNH-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C(=C)Cl)C1 ZINC001207152919 813498492 /nfs/dbraw/zinc/49/84/92/813498492.db2.gz JTESZFWRFNIFQA-TZMCWYRMSA-N 1 1 298.858 3.168 20 30 CGEDMO CN(C)CC(C)(C)C[NH+]1CCC(C#Cc2ccccc2)CC1 ZINC001207288610 813537131 /nfs/dbraw/zinc/53/71/31/813537131.db2.gz TZTARGHQMBYILQ-UHFFFAOYSA-N 1 1 298.474 3.338 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(CC(C)C)CC2)C1 ZINC001207478140 813572498 /nfs/dbraw/zinc/57/24/98/813572498.db2.gz NMJJOGJXJVPBJG-HZPDHXFCSA-N 1 1 292.467 3.215 20 30 CGEDMO N#Cc1ccc2c(c1)CC[N@H+](C[C@H]1C[C@H]3C=C[C@@H]1C3)C2 ZINC001207615858 813614746 /nfs/dbraw/zinc/61/47/46/813614746.db2.gz MIPHGGISXCMJTB-JCKWVBRZSA-N 1 1 264.372 3.129 20 30 CGEDMO C#CC[N@@H+](Cc1cn(-c2cccc(C)c2)nc1C)C(C)C ZINC001207715338 813640551 /nfs/dbraw/zinc/64/05/51/813640551.db2.gz DGGVAGIXMDTTHE-UHFFFAOYSA-N 1 1 281.403 3.333 20 30 CGEDMO CCCCCCC[N@@H+](CC)C[C@H]1COC(C)(C)O1 ZINC001207928379 813671557 /nfs/dbraw/zinc/67/15/57/813671557.db2.gz PAXZWMDNFITDML-AWEZNQCLSA-N 1 1 257.418 3.430 20 30 CGEDMO CC1(C)OC[C@H](C[N@@H+](CCC#N)C2CCCCCCC2)O1 ZINC001207928348 813671619 /nfs/dbraw/zinc/67/16/19/813671619.db2.gz NLRKEKZRHSZGEJ-INIZCTEOSA-N 1 1 294.439 3.466 20 30 CGEDMO CCCCCCC/C=C/C[N@@H+]1CCn2nncc2C1 ZINC001208118832 813698332 /nfs/dbraw/zinc/69/83/32/813698332.db2.gz PGBYXNZKQQPMEA-CMDGGOBGSA-N 1 1 262.401 3.010 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CCn2nncc2C1 ZINC001208118832 813698336 /nfs/dbraw/zinc/69/83/36/813698336.db2.gz PGBYXNZKQQPMEA-CMDGGOBGSA-N 1 1 262.401 3.010 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@](C)(O)[C@H](C)C2)CC1 ZINC001208170906 813724131 /nfs/dbraw/zinc/72/41/31/813724131.db2.gz NYNNXLPLXPULQE-OIISXLGYSA-N 1 1 263.425 3.382 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@H](O)[C@@H](F)CC2)CC1 ZINC001208171482 813726184 /nfs/dbraw/zinc/72/61/84/813726184.db2.gz USBFFIPGBWILFU-PMPSAXMXSA-N 1 1 267.388 3.084 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCN3CC(F)(F)C[C@H]3C2)CC1 ZINC001208178554 813728559 /nfs/dbraw/zinc/72/85/59/813728559.db2.gz RBFDBOWUNWGHKG-CVEARBPZSA-N 1 1 296.405 3.314 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCn3nccc3C2)CC1 ZINC001208178413 813729301 /nfs/dbraw/zinc/72/93/01/813729301.db2.gz CVAQJDCEMNWCLO-OAHLLOKOSA-N 1 1 257.381 3.001 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCn3nccc3C2)CC1 ZINC001208178413 813729306 /nfs/dbraw/zinc/72/93/06/813729306.db2.gz CVAQJDCEMNWCLO-OAHLLOKOSA-N 1 1 257.381 3.001 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001208307038 813753761 /nfs/dbraw/zinc/75/37/61/813753761.db2.gz VJQUXPYLCFBCFH-BRWVUGGUSA-N 1 1 290.451 3.136 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](F)CC)C1 ZINC001208332312 813755364 /nfs/dbraw/zinc/75/53/64/813755364.db2.gz FBEIMOPTXNHHBH-RBSFLKMASA-N 1 1 286.435 3.141 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(CCC)CCC)C1 ZINC001208438401 813761337 /nfs/dbraw/zinc/76/13/37/813761337.db2.gz SYKDGMSCIJYVSA-GDBMZVCRSA-N 1 1 280.456 3.215 20 30 CGEDMO N#C[C@@H]1CCCN(C[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001208588397 813769172 /nfs/dbraw/zinc/76/91/72/813769172.db2.gz HRUQZHFNEVVEIK-RBUKOAKNSA-N 1 1 297.446 3.277 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@@H+](CCC3CCCC3)C2)C1=O ZINC001208693218 813798809 /nfs/dbraw/zinc/79/88/09/813798809.db2.gz LEDGDVVPNBJYIO-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](CC/C=C\CC)CCO2 ZINC001208728267 813817329 /nfs/dbraw/zinc/81/73/29/813817329.db2.gz PCSBGJLWVCPMKB-FDICQLOXSA-N 1 1 293.451 3.416 20 30 CGEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+](CCCC(C)C)C2 ZINC001208733761 813822158 /nfs/dbraw/zinc/82/21/58/813822158.db2.gz HCZHNSVIUKOZBZ-GOSISDBHSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCOCc1ncn2c1C[N@@H+](CCCC(C)C)CCC2 ZINC001208735096 813825423 /nfs/dbraw/zinc/82/54/23/813825423.db2.gz SNNRPPLJWGCZNJ-UHFFFAOYSA-N 1 1 291.439 3.228 20 30 CGEDMO N#Cc1cccc(CCC[N@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC001208845719 813863093 /nfs/dbraw/zinc/86/30/93/813863093.db2.gz ROVJOANUQZHECB-CALCHBBNSA-N 1 1 254.377 3.223 20 30 CGEDMO C[N@@H+](C1CC1)C1CCN(CCCc2cccc(C#N)c2)CC1 ZINC001208850790 813864650 /nfs/dbraw/zinc/86/46/50/813864650.db2.gz IVJSFDQBFXRJRV-UHFFFAOYSA-N 1 1 297.446 3.049 20 30 CGEDMO CC[N@@H+](CCCc1cccc(C#N)c1)Cc1cccnc1 ZINC001208853092 813865883 /nfs/dbraw/zinc/86/58/83/813865883.db2.gz CNDVTFGYWZJPOU-UHFFFAOYSA-N 1 1 279.387 3.408 20 30 CGEDMO N#Cc1cccc(CCC[N@H+]2CC[C@@H](c3ccccn3)C2)c1 ZINC001208853707 813866409 /nfs/dbraw/zinc/86/64/09/813866409.db2.gz SVSMJYUIBWAVTB-GOSISDBHSA-N 1 1 291.398 3.375 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](CCCc2cccc(C#N)c2)C1 ZINC001208853514 813867815 /nfs/dbraw/zinc/86/78/15/813867815.db2.gz OWOAJFPYSSIQPG-INIZCTEOSA-N 1 1 267.376 3.117 20 30 CGEDMO N#Cc1ccc(CCC[N@H+]2CC[C@H](COCC3CC3)C2)cc1 ZINC001208861761 813872452 /nfs/dbraw/zinc/87/24/52/813872452.db2.gz ARBYOZKPEDYMAK-IBGZPJMESA-N 1 1 298.430 3.239 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)cc1 ZINC001208925566 813901082 /nfs/dbraw/zinc/90/10/82/813901082.db2.gz HWVZOHDGXXQGEH-CABCVRRESA-N 1 1 276.330 3.078 20 30 CGEDMO N#Cc1ccc(CC[NH+]2CC(Oc3ccc(F)cc3)C2)cc1 ZINC001208927603 813901376 /nfs/dbraw/zinc/90/13/76/813901376.db2.gz MFZJUHDAAMBUIT-UHFFFAOYSA-N 1 1 296.345 3.003 20 30 CGEDMO CCOC[C@@]12CCC[C@@H]1C[N@@H+](CCc1ccc(C#N)cc1)C2 ZINC001208922465 813901994 /nfs/dbraw/zinc/90/19/94/813901994.db2.gz HLLSPNUSVMMNHR-MOPGFXCFSA-N 1 1 298.430 3.239 20 30 CGEDMO N#CC[C@H]1CCCN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC001208947841 813906376 /nfs/dbraw/zinc/90/63/76/813906376.db2.gz DNXIBWFAGOMJFW-MOPGFXCFSA-N 1 1 297.446 3.134 20 30 CGEDMO N#CC[C@H]1CCCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001208947841 813906381 /nfs/dbraw/zinc/90/63/81/813906381.db2.gz DNXIBWFAGOMJFW-MOPGFXCFSA-N 1 1 297.446 3.134 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208947841 813906385 /nfs/dbraw/zinc/90/63/85/813906385.db2.gz DNXIBWFAGOMJFW-MOPGFXCFSA-N 1 1 297.446 3.134 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC001208947841 813906390 /nfs/dbraw/zinc/90/63/90/813906390.db2.gz DNXIBWFAGOMJFW-MOPGFXCFSA-N 1 1 297.446 3.134 20 30 CGEDMO CCCN(CCC#N)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001208947350 813907151 /nfs/dbraw/zinc/90/71/51/813907151.db2.gz AXNOMWNDUYJSOI-GOSISDBHSA-N 1 1 285.435 3.134 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](C)CC)C[C@H]1C ZINC001208953840 813910702 /nfs/dbraw/zinc/91/07/02/813910702.db2.gz AFFFWMWWUKZWML-RRFJBIMHSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCN(CC[N@H+]1CC[C@H]2CCCC[C@@H]2C1)C(=O)OCC ZINC001209024266 813917633 /nfs/dbraw/zinc/91/76/33/813917633.db2.gz QHQCWNSUCPVRPS-HZPDHXFCSA-N 1 1 294.439 3.143 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001209157518 813949631 /nfs/dbraw/zinc/94/96/31/813949631.db2.gz FHMSODNGLGQCQH-HUUCEWRRSA-N 1 1 294.439 3.141 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@@](C)(C(=O)OCC)C1 ZINC001209156347 813950339 /nfs/dbraw/zinc/95/03/39/813950339.db2.gz ANPKXGGKDXHSQS-OAHLLOKOSA-N 1 1 253.386 3.008 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](C(=O)OC)[C@@H]1c1ccccc1 ZINC001209158521 813951196 /nfs/dbraw/zinc/95/11/96/813951196.db2.gz QCXBTNGCDRBBAQ-CVEARBPZSA-N 1 1 273.376 3.189 20 30 CGEDMO C=CCCC[N@@H+]1CCc2sc(C(=O)OCC)cc2C1 ZINC001209160431 813952124 /nfs/dbraw/zinc/95/21/24/813952124.db2.gz ZWDBAIZVGDPXST-UHFFFAOYSA-N 1 1 279.405 3.249 20 30 CGEDMO C=CCCCN1CC[N@@H+](C2CCCCC2)[C@@H](C)C1 ZINC001209164353 813955331 /nfs/dbraw/zinc/95/53/31/813955331.db2.gz BOQJNDFZNOCSEF-HNNXBMFYSA-N 1 1 250.430 3.291 20 30 CGEDMO C=CCCC[N@@H+]1CCN(C2CCCCC2)[C@@H](C)C1 ZINC001209164353 813955333 /nfs/dbraw/zinc/95/53/33/813955333.db2.gz BOQJNDFZNOCSEF-HNNXBMFYSA-N 1 1 250.430 3.291 20 30 CGEDMO C=CCCC[N@H+]1CCN(C2CCCCC2)[C@@H](C)C1 ZINC001209164353 813955336 /nfs/dbraw/zinc/95/53/36/813955336.db2.gz BOQJNDFZNOCSEF-HNNXBMFYSA-N 1 1 250.430 3.291 20 30 CGEDMO C=CCCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C2(CC2)C1 ZINC001209204822 813965999 /nfs/dbraw/zinc/96/59/99/813965999.db2.gz KFINZQCHDHGMKH-UHFFFAOYSA-N 1 1 294.439 3.428 20 30 CGEDMO C=CCCCC[NH+]1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC001209205021 813966778 /nfs/dbraw/zinc/96/67/78/813966778.db2.gz OTVPQZDKWUCBOS-OALUTQOASA-N 1 1 284.447 3.407 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@H](CC(=O)OCC)[C@@H](C)C1 ZINC001209208662 813968893 /nfs/dbraw/zinc/96/88/93/813968893.db2.gz WUPNVXAOLUZDDM-LSDHHAIUSA-N 1 1 267.413 3.254 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@@H+](CCc1ccc(F)c(F)c1)CC2 ZINC001209240013 813980033 /nfs/dbraw/zinc/98/00/33/813980033.db2.gz RBUSECCCCCZUAZ-UHFFFAOYSA-N 1 1 298.336 3.437 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](CCCCOCc2ccccc2)C1 ZINC001209264761 813987108 /nfs/dbraw/zinc/98/71/08/813987108.db2.gz ZMOFJVYJNOEHJV-KRWDZBQOSA-N 1 1 272.392 3.219 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@@H]1c1ccc(C(=O)OC)cc1 ZINC001209269279 813989917 /nfs/dbraw/zinc/98/99/17/813989917.db2.gz SXQNQPDGVCZFLU-MRXNPFEDSA-N 1 1 271.360 3.024 20 30 CGEDMO C=CCCCCCCCC[N@H+](CC)CCC(N)=O ZINC001209444016 814043227 /nfs/dbraw/zinc/04/32/27/814043227.db2.gz KPOKEFZJLJFZFD-UHFFFAOYSA-N 1 1 254.418 3.100 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](CCC(=O)OC)C1 ZINC001209429105 814030399 /nfs/dbraw/zinc/03/03/99/814030399.db2.gz TXEPXBNKFNGRNQ-AWEZNQCLSA-N 1 1 253.386 3.008 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](Oc2nccnc2C)C1 ZINC001209432551 814033023 /nfs/dbraw/zinc/03/30/23/814033023.db2.gz GUQAFOOPPWFCGF-INIZCTEOSA-N 1 1 289.423 3.375 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](Oc2ncncc2C)C1 ZINC001209432859 814033969 /nfs/dbraw/zinc/03/39/69/814033969.db2.gz LGAQMXAFAUPEPD-INIZCTEOSA-N 1 1 289.423 3.375 20 30 CGEDMO C=CCCCCCCC[N@H+](C)CCC1OCCO1 ZINC001209442880 814043334 /nfs/dbraw/zinc/04/33/34/814043334.db2.gz YYJFURDTYGFQTG-UHFFFAOYSA-N 1 1 255.402 3.208 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C ZINC001209445193 814045597 /nfs/dbraw/zinc/04/55/97/814045597.db2.gz GUSLVBQCLOAQAP-HOTGVXAUSA-N 1 1 250.430 3.291 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CCOC[C@H]1COC ZINC001209446288 814045626 /nfs/dbraw/zinc/04/56/26/814045626.db2.gz VGYDHNNQHPGTEO-MRXNPFEDSA-N 1 1 269.429 3.250 20 30 CGEDMO C=CCCCCCCCC[N@H+](C)CCC(=O)OC ZINC001209446241 814045742 /nfs/dbraw/zinc/04/57/42/814045742.db2.gz UEMDTDIHWMOMDI-UHFFFAOYSA-N 1 1 255.402 3.398 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@](C)(CC)CCC)C1 ZINC001209791937 814141546 /nfs/dbraw/zinc/14/15/46/814141546.db2.gz MECIFOYLOXASMS-INMHGKMJSA-N 1 1 280.456 3.215 20 30 CGEDMO COc1cc(C#N)cc(Nc2ccc3[nH]c[nH+]c3c2)c1 ZINC001209851676 814169621 /nfs/dbraw/zinc/16/96/21/814169621.db2.gz NNPZWZGJBMWJFH-UHFFFAOYSA-N 1 1 264.288 3.187 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(F)CCCCC2)C1 ZINC001209994950 814236224 /nfs/dbraw/zinc/23/62/24/814236224.db2.gz GQHJAKLTUSBJRY-HUUCEWRRSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC2(C)CC2)C1 ZINC001210008552 814240799 /nfs/dbraw/zinc/24/07/99/814240799.db2.gz MIYLSLGBELZIPV-OWCLPIDISA-N 1 1 292.467 3.358 20 30 CGEDMO C[C@H]1CC(=O)C=C(c2ccc3c(c2)CC[N@H+](C)C3)C1 ZINC001242746402 823121207 /nfs/dbraw/zinc/12/12/07/823121207.db2.gz XEAZEQWPNLXGBC-GFCCVEGCSA-N 1 1 255.361 3.057 20 30 CGEDMO Cc1cc(Nc2[nH+]c3ccccc3n2C)ccc1C#N ZINC001210802351 814633899 /nfs/dbraw/zinc/63/38/99/814633899.db2.gz ATDORGGTNCVLFV-UHFFFAOYSA-N 1 1 262.316 3.497 20 30 CGEDMO CCCCCCCC[C@H](CC)OCC[C@H]([NH3+])C(=O)OC ZINC001217896085 815994931 /nfs/dbraw/zinc/99/49/31/815994931.db2.gz HQBXSEPYQKXOMU-GJZGRUSLSA-N 1 1 287.444 3.423 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C3CCCC3)[C@@H]2C1 ZINC001221217133 816306821 /nfs/dbraw/zinc/30/68/21/816306821.db2.gz AFRCDSNJFCYTEX-USXIJHARSA-N 1 1 290.451 3.064 20 30 CGEDMO CCCCCCCNC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC001221437566 816315169 /nfs/dbraw/zinc/31/51/69/816315169.db2.gz XOGLNLIESXYRJP-CVEARBPZSA-N 1 1 297.487 3.376 20 30 CGEDMO C=C(C)CCC(=O)N1C[C@H]2CC[N@@H+](CCCCCF)C[C@H]21 ZINC001221584785 816320143 /nfs/dbraw/zinc/32/01/43/816320143.db2.gz CLDKXGLCOLEJJN-HZPDHXFCSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C/C(C)=C\CC(=O)N1C[C@H]2CC[N@H+](CCC(=C)C)C[C@H]21 ZINC001221748422 816325841 /nfs/dbraw/zinc/32/58/41/816325841.db2.gz WLBWUBLQYCCCOY-FHASGNSBSA-N 1 1 288.435 3.008 20 30 CGEDMO C=C1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC001221794575 816328382 /nfs/dbraw/zinc/32/83/82/816328382.db2.gz QRQWCPQVCHWNEY-INIZCTEOSA-N 1 1 293.455 3.003 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)CC(=C)C)C[C@@H]21 ZINC001223344449 816610270 /nfs/dbraw/zinc/61/02/70/816610270.db2.gz KVDRQCKTHGKTHN-ZACQAIPSSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)CC=C)C[C@@H]21 ZINC001223580799 816653076 /nfs/dbraw/zinc/65/30/76/816653076.db2.gz VRHHVMBIBMZHJM-CVEARBPZSA-N 1 1 290.451 3.088 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CC[C@H](OCc2cccs2)C1 ZINC001223865889 816693974 /nfs/dbraw/zinc/69/39/74/816693974.db2.gz WELUTETXZFBIRX-INIZCTEOSA-N 1 1 298.411 3.411 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CC[C@H](OCc2cccs2)C1 ZINC001223865889 816693977 /nfs/dbraw/zinc/69/39/77/816693977.db2.gz WELUTETXZFBIRX-INIZCTEOSA-N 1 1 298.411 3.411 20 30 CGEDMO C=CCCCCCC[C@@H](C)OCC[NH+]1CCN(C)CC1 ZINC001224548347 816827214 /nfs/dbraw/zinc/82/72/14/816827214.db2.gz AGWWGVJOWWSFJN-QGZVFWFLSA-N 1 1 282.472 3.166 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Oc1ccc(C#N)cc1 ZINC001225247709 816978937 /nfs/dbraw/zinc/97/89/37/816978937.db2.gz STWNATHZLKZBRY-KXBFYZLASA-N 1 1 292.382 3.458 20 30 CGEDMO N#Cc1cc(O[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC001225815072 817187134 /nfs/dbraw/zinc/18/71/34/817187134.db2.gz ASAUJPDRVZBPTG-KRWDZBQOSA-N 1 1 296.345 3.351 20 30 CGEDMO C=C(C)n1c2ccccc2nc1O[C@@H]1CCc2[nH+]ccn2C1 ZINC001226219417 817302582 /nfs/dbraw/zinc/30/25/82/817302582.db2.gz VPTPBSQRWFKGJC-CYBMUJFWSA-N 1 1 294.358 3.117 20 30 CGEDMO Cc1cc(O[C@H]2CC[N@H+](C(C)C)C2)cc(C)c1C#N ZINC001226831186 817478108 /nfs/dbraw/zinc/47/81/08/817478108.db2.gz HZOCULOZODSSHI-AWEZNQCLSA-N 1 1 258.365 3.037 20 30 CGEDMO CC[N@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cc2C#N)C1 ZINC001226999121 817530597 /nfs/dbraw/zinc/53/05/97/817530597.db2.gz HNCUJEBZMOPPHA-LBPRGKRZSA-N 1 1 284.281 3.050 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@H](C)CCCC)CC1 ZINC001227192306 817586374 /nfs/dbraw/zinc/58/63/74/817586374.db2.gz MZNQEIGMIUATBK-GFCCVEGCSA-N 1 1 286.847 3.146 20 30 CGEDMO CC(C)(C)[NH+]1CC(Oc2ccc(Cl)cc2C#N)C1 ZINC001227205575 817590752 /nfs/dbraw/zinc/59/07/52/817590752.db2.gz NUPLYCYRAAGHRB-UHFFFAOYSA-N 1 1 264.756 3.073 20 30 CGEDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1cccc(Cl)c1C#N ZINC001227788225 817721568 /nfs/dbraw/zinc/72/15/68/817721568.db2.gz YPGZYAXRUWKSMS-DRXBFXEBSA-N 1 1 290.794 3.321 20 30 CGEDMO C=C[C@@H](CCC)Oc1cc2c(cc1OC)CC[NH+]=C2 ZINC001228088961 817809104 /nfs/dbraw/zinc/80/91/04/817809104.db2.gz HJXWKMRFNJAINN-AWEZNQCLSA-N 1 1 259.349 3.404 20 30 CGEDMO CC[N@H+]1CCC[C@H](Oc2cc(C)c(C#N)cc2C)C1 ZINC001228146443 817823990 /nfs/dbraw/zinc/82/39/90/817823990.db2.gz BSIDBJSWMHBGHQ-HNNXBMFYSA-N 1 1 258.365 3.038 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](C)CCC ZINC001231129194 818038928 /nfs/dbraw/zinc/03/89/28/818038928.db2.gz AKRZCGRVRPBQBA-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)/C=C/C(C)(C)C ZINC001231253587 818063545 /nfs/dbraw/zinc/06/35/45/818063545.db2.gz AHPYDASNTDFFEE-SLZMIMFISA-N 1 1 278.440 3.088 20 30 CGEDMO Cc1c(F)ccc(C[NH+]2CCC(C)(C#N)CC2)c1F ZINC001231479473 818105726 /nfs/dbraw/zinc/10/57/26/818105726.db2.gz NCSQMPBTQFUQEX-UHFFFAOYSA-N 1 1 264.319 3.399 20 30 CGEDMO C#CC[NH+](CC#C)Cc1cccc(-c2ccccc2)c1 ZINC001231511497 818117893 /nfs/dbraw/zinc/11/78/93/818117893.db2.gz PIXXTEBYNLGKJQ-UHFFFAOYSA-N 1 1 259.352 3.422 20 30 CGEDMO CC(C)Oc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)cn1 ZINC001231532548 818121193 /nfs/dbraw/zinc/12/11/93/818121193.db2.gz FBGVCEIUNHMKRZ-UHFFFAOYSA-N 1 1 295.386 3.372 20 30 CGEDMO C(#Cc1ccccc1C[N@@H+]1C[C@@H]2C[C@H]1CO2)c1ccccc1 ZINC001231578721 818127585 /nfs/dbraw/zinc/12/75/85/818127585.db2.gz RUYZERPWMOZJST-PMACEKPBSA-N 1 1 289.378 3.060 20 30 CGEDMO C(#Cc1ccccc1C[N@H+]1C[C@@H]2C[C@H]1CO2)c1ccccc1 ZINC001231578721 818127590 /nfs/dbraw/zinc/12/75/90/818127590.db2.gz RUYZERPWMOZJST-PMACEKPBSA-N 1 1 289.378 3.060 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCC[C@@](C)(O)[C@H](C)C2)c1 ZINC001231621150 818137876 /nfs/dbraw/zinc/13/78/76/818137876.db2.gz RPFMQKFVJYGBMJ-CRAIPNDOSA-N 1 1 289.419 3.234 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)c1 ZINC001231625446 818141006 /nfs/dbraw/zinc/14/10/06/818141006.db2.gz WYNWLQYYZGVBEN-RDJZCZTQSA-N 1 1 285.387 3.052 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCC[C@@]3(CCO3)C2)c1 ZINC001231625269 818141099 /nfs/dbraw/zinc/14/10/99/818141099.db2.gz RJQWTPSEIMTHJJ-QGZVFWFLSA-N 1 1 273.376 3.006 20 30 CGEDMO C#Cc1cccc(C[N@@H+](CC)Cc2ccncc2)c1 ZINC001231656515 818151008 /nfs/dbraw/zinc/15/10/08/818151008.db2.gz NETVOGDASTYVPW-UHFFFAOYSA-N 1 1 250.345 3.085 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(OC2CCCCC2)nc1 ZINC001231873108 818196326 /nfs/dbraw/zinc/19/63/26/818196326.db2.gz ZAWQWTVILPLCTQ-UHFFFAOYSA-N 1 1 260.381 3.411 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccnc(C(F)F)c2)C1 ZINC001231890133 818203616 /nfs/dbraw/zinc/20/36/16/818203616.db2.gz UXRFTMAUQKONGG-LLVKDONJSA-N 1 1 265.307 3.145 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2ccnc(C(F)F)c2)C1 ZINC001231890133 818203622 /nfs/dbraw/zinc/20/36/22/818203622.db2.gz UXRFTMAUQKONGG-LLVKDONJSA-N 1 1 265.307 3.145 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@]3(C2)CCCOC3)cc1Cl ZINC001232117331 818259948 /nfs/dbraw/zinc/25/99/48/818259948.db2.gz YDBBBONPUHWBPB-INIZCTEOSA-N 1 1 290.794 3.214 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC001232116037 818259988 /nfs/dbraw/zinc/25/99/88/818259988.db2.gz IUMVPGKHOCKAJB-BXUZGUMPSA-N 1 1 278.783 3.211 20 30 CGEDMO N#CC1(c2ccccc2)CC[NH+](Cc2ccns2)CC1 ZINC001232189893 818272967 /nfs/dbraw/zinc/27/29/67/818272967.db2.gz OORVHYNTRZNYGQ-UHFFFAOYSA-N 1 1 283.400 3.200 20 30 CGEDMO CCOc1ccc(OC)cc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001232384792 818332657 /nfs/dbraw/zinc/33/26/57/818332657.db2.gz WCUJWNRIUONNIZ-CQSZACIVSA-N 1 1 288.391 3.220 20 30 CGEDMO C=CC[N@@H+](Cc1cc(C#N)ccn1)C1CCCCC1 ZINC001232480861 818364018 /nfs/dbraw/zinc/36/40/18/818364018.db2.gz AWCQQEPYKLUYJU-UHFFFAOYSA-N 1 1 255.365 3.274 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](Cc2cccc3c2CCCC3)C1 ZINC001232640271 818408384 /nfs/dbraw/zinc/40/83/84/818408384.db2.gz LYVJGYZDXAKWEN-KRWDZBQOSA-N 1 1 254.377 3.301 20 30 CGEDMO N#Cc1cc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)ccc1Br ZINC001232898342 818468819 /nfs/dbraw/zinc/46/88/19/818468819.db2.gz DDWTVMNTBMJLBK-WCQYABFASA-N 1 1 291.192 3.305 20 30 CGEDMO N#Cc1cc(C[N@H+]2C[C@H]3CC[C@@H]2C3)ccc1Br ZINC001232898342 818468822 /nfs/dbraw/zinc/46/88/22/818468822.db2.gz DDWTVMNTBMJLBK-WCQYABFASA-N 1 1 291.192 3.305 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@@H+](Cc1ccc3ncoc3c1)CC2 ZINC001232937508 818477122 /nfs/dbraw/zinc/47/71/22/818477122.db2.gz BXEXNMDVMWJAQV-UHFFFAOYSA-N 1 1 289.338 3.258 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@H+](Cc1ccc3ncoc3c1)CC2 ZINC001232937508 818477127 /nfs/dbraw/zinc/47/71/27/818477127.db2.gz BXEXNMDVMWJAQV-UHFFFAOYSA-N 1 1 289.338 3.258 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001233080051 818519859 /nfs/dbraw/zinc/51/98/59/818519859.db2.gz CBBKUWRAXSVSGF-AWEZNQCLSA-N 1 1 282.309 3.436 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+](C)C[C@H]1Cc2ccccc2O1 ZINC001233084384 818521541 /nfs/dbraw/zinc/52/15/41/818521541.db2.gz UAGJUKZUUWQRAU-GOSISDBHSA-N 1 1 292.382 3.302 20 30 CGEDMO CC1(C#N)CC[NH+](Cc2ccc(N)cc2Cl)CC1 ZINC001233376380 818603442 /nfs/dbraw/zinc/60/34/42/818603442.db2.gz GJTUGHQTECVUOX-UHFFFAOYSA-N 1 1 263.772 3.048 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)c([O-])c1 ZINC001233386829 818607846 /nfs/dbraw/zinc/60/78/46/818607846.db2.gz KGNYWWWMYHPOAK-HNNXBMFYSA-N 1 1 296.345 3.392 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)c(O)c1 ZINC001233386829 818607851 /nfs/dbraw/zinc/60/78/51/818607851.db2.gz KGNYWWWMYHPOAK-HNNXBMFYSA-N 1 1 296.345 3.392 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)c(O)c1 ZINC001233386829 818607854 /nfs/dbraw/zinc/60/78/54/818607854.db2.gz KGNYWWWMYHPOAK-HNNXBMFYSA-N 1 1 296.345 3.392 20 30 CGEDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1c(Cl)cccc1C#N ZINC001233550422 818638667 /nfs/dbraw/zinc/63/86/67/818638667.db2.gz JYHOKPDBNKUALD-AGGWBTHJSA-N 1 1 290.794 3.321 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)c1cc(C)oc1C ZINC001233825704 818713447 /nfs/dbraw/zinc/71/34/47/818713447.db2.gz IPCUUCJRPGDIAT-CYBMUJFWSA-N 1 1 292.423 3.303 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)[C@@H]1CC=CCC1 ZINC001233834841 818714472 /nfs/dbraw/zinc/71/44/72/818714472.db2.gz DDGZILKMSWJRPC-JKSUJKDBSA-N 1 1 278.440 3.136 20 30 CGEDMO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1C[C@H](C)CC(C)C ZINC001233948462 818738263 /nfs/dbraw/zinc/73/82/63/818738263.db2.gz WHJIYCOFGYBVOG-IAGOWNOFSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)CC(C)(C)C ZINC001233997996 818750620 /nfs/dbraw/zinc/75/06/20/818750620.db2.gz UPVUGEMCUSOUBR-CQSZACIVSA-N 1 1 268.445 3.215 20 30 CGEDMO C=CC(C)(C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1CCCCC ZINC001234554873 818881604 /nfs/dbraw/zinc/88/16/04/818881604.db2.gz OCTGGNIWCZTXPM-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO Cc1nnc(-c2ccc(C[N@H+]3CCC[C@H](CC#N)C3)cc2)o1 ZINC001235052738 818992421 /nfs/dbraw/zinc/99/24/21/818992421.db2.gz UUGAXCFBXVTWLR-CQSZACIVSA-N 1 1 296.374 3.171 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(CC(C)C)CC1 ZINC001235193650 819032407 /nfs/dbraw/zinc/03/24/07/819032407.db2.gz SNGOVAZMRCDHHX-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C[C@@H]1C(=O)CC[N@@H+](Cc2ccccc2CC#N)C12CCCC2 ZINC001235526119 819115712 /nfs/dbraw/zinc/11/57/12/819115712.db2.gz AVMVISUEQFWVSE-OAHLLOKOSA-N 1 1 296.414 3.476 20 30 CGEDMO C=CC[NH+]1CCN(Cc2ccccc2-c2ccncc2)CC1 ZINC001235615230 819126663 /nfs/dbraw/zinc/12/66/63/819126663.db2.gz AVSRWRLAGMEODO-UHFFFAOYSA-N 1 1 293.414 3.052 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2ccccc2-c2ccncc2)C1 ZINC001235627707 819129564 /nfs/dbraw/zinc/12/95/64/819129564.db2.gz JAOHVMQVIFFWHH-HNNXBMFYSA-N 1 1 277.371 3.484 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccccc2-c2ccncc2)C1 ZINC001235627707 819129568 /nfs/dbraw/zinc/12/95/68/819129568.db2.gz JAOHVMQVIFFWHH-HNNXBMFYSA-N 1 1 277.371 3.484 20 30 CGEDMO C[C@H]1CCCC[N@@H+]1Cc1c(F)cc(C#N)cc1F ZINC001235650275 819130207 /nfs/dbraw/zinc/13/02/07/819130207.db2.gz OVMHEPMMGMHSBR-JTQLQIEISA-N 1 1 250.292 3.211 20 30 CGEDMO C[C@H]1CCCC[N@H+]1Cc1c(F)cc(C#N)cc1F ZINC001235650275 819130210 /nfs/dbraw/zinc/13/02/10/819130210.db2.gz OVMHEPMMGMHSBR-JTQLQIEISA-N 1 1 250.292 3.211 20 30 CGEDMO N#Cc1cc(F)c(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)c(F)c1 ZINC001235655222 819130479 /nfs/dbraw/zinc/13/04/79/819130479.db2.gz VXCLRWRUTOORIK-QWHCGFSZSA-N 1 1 276.330 3.458 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCc3cc(N)ccc3C2)c1 ZINC001236105729 819323287 /nfs/dbraw/zinc/32/32/87/819323287.db2.gz LLXYGSUFSKGQMY-UHFFFAOYSA-N 1 1 294.398 3.392 20 30 CGEDMO CC(C)C[N@H+](CCCc1cccc(C#N)c1)[C@@H]1CCCNC1 ZINC001236473527 819492976 /nfs/dbraw/zinc/49/29/76/819492976.db2.gz KROQVZMQOBWOII-LJQANCHMSA-N 1 1 299.462 3.201 20 30 CGEDMO CC(C)C[N@@H+](CCCc1cccc(C#N)c1)[C@@H]1CCCNC1 ZINC001236473527 819492984 /nfs/dbraw/zinc/49/29/84/819492984.db2.gz KROQVZMQOBWOII-LJQANCHMSA-N 1 1 299.462 3.201 20 30 CGEDMO COc1ccc(C#N)cc1-c1cc(F)c2c(c1)C[N@H+](C)CC2 ZINC001236545845 819531115 /nfs/dbraw/zinc/53/11/15/819531115.db2.gz SGLYIHDFAMEBFT-UHFFFAOYSA-N 1 1 296.345 3.361 20 30 CGEDMO C=CC[N@H+](Cc1ccc(F)c(S(C)(=O)=O)c1)C(C)(C)C ZINC001236960136 819639135 /nfs/dbraw/zinc/63/91/35/819639135.db2.gz WFAFZMIZSGSZGC-UHFFFAOYSA-N 1 1 299.411 3.016 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(F)c(S(C)(=O)=O)c1)C(C)(C)C ZINC001236960136 819639139 /nfs/dbraw/zinc/63/91/39/819639139.db2.gz WFAFZMIZSGSZGC-UHFFFAOYSA-N 1 1 299.411 3.016 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](Cc2cc(O)cc3ccccc32)C1 ZINC001237070365 819658763 /nfs/dbraw/zinc/65/87/63/819658763.db2.gz DRJGSOSDCDXLPM-KRWDZBQOSA-N 1 1 266.344 3.281 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](Cc2cc(O)cc3ccccc32)C1 ZINC001237070365 819658766 /nfs/dbraw/zinc/65/87/66/819658766.db2.gz DRJGSOSDCDXLPM-KRWDZBQOSA-N 1 1 266.344 3.281 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCCC3(CC(F)C3)CC2)ccn1 ZINC001237461885 819758084 /nfs/dbraw/zinc/75/80/84/819758084.db2.gz BPEBYAVRKQZMBA-UHFFFAOYSA-N 1 1 273.355 3.057 20 30 CGEDMO C[N@@H+](Cc1ccnc(C#N)c1)C(C)(C)Cc1ccccc1 ZINC001237468916 819759658 /nfs/dbraw/zinc/75/96/58/819759658.db2.gz NAIWJRLVPPESAF-UHFFFAOYSA-N 1 1 279.387 3.406 20 30 CGEDMO Cc1cccc(O)c1C[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001237484880 819762349 /nfs/dbraw/zinc/76/23/49/819762349.db2.gz JNDHFZRYRAXNBX-UHFFFAOYSA-N 1 1 278.355 3.131 20 30 CGEDMO C=CC[NH+]1CCN(Cc2cccc(-c3ccccc3)n2)CC1 ZINC001237551226 819777835 /nfs/dbraw/zinc/77/78/35/819777835.db2.gz UHYOERJSVZBACF-UHFFFAOYSA-N 1 1 293.414 3.052 20 30 CGEDMO C=CCN1CC[NH+](Cc2cccc(-c3ccccc3)n2)CC1 ZINC001237551226 819777840 /nfs/dbraw/zinc/77/78/40/819777840.db2.gz UHYOERJSVZBACF-UHFFFAOYSA-N 1 1 293.414 3.052 20 30 CGEDMO Cc1ccnc2cccc(C[N@@H+]3CCC[C@@H](C#N)C3)c12 ZINC001237631791 819792127 /nfs/dbraw/zinc/79/21/27/819792127.db2.gz XFPYKMWDJKGQPS-AWEZNQCLSA-N 1 1 265.360 3.279 20 30 CGEDMO Cc1ccnc2cccc(C[N@H+]3CCC[C@@H](C#N)C3)c12 ZINC001237631791 819792134 /nfs/dbraw/zinc/79/21/34/819792134.db2.gz XFPYKMWDJKGQPS-AWEZNQCLSA-N 1 1 265.360 3.279 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237798756 819845873 /nfs/dbraw/zinc/84/58/73/819845873.db2.gz MWEMHRJRCISIAQ-SNVBAGLBSA-N 1 1 282.746 3.310 20 30 CGEDMO N#CC[C@H]1CCCN(Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237798756 819845878 /nfs/dbraw/zinc/84/58/78/819845878.db2.gz MWEMHRJRCISIAQ-SNVBAGLBSA-N 1 1 282.746 3.310 20 30 CGEDMO N#CC1CC[NH+](Cc2ccccc2Oc2cnccn2)CC1 ZINC001238016109 819912374 /nfs/dbraw/zinc/91/23/74/819912374.db2.gz JBJHLFDKYDCOOT-UHFFFAOYSA-N 1 1 294.358 3.004 20 30 CGEDMO Cc1ccc(O)cc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC001238108960 819935568 /nfs/dbraw/zinc/93/55/68/819935568.db2.gz GJOSRCUBXNJSGF-UHFFFAOYSA-N 1 1 266.344 3.204 20 30 CGEDMO COC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)c(C#N)c1 ZINC001238189908 819951631 /nfs/dbraw/zinc/95/16/31/819951631.db2.gz YVWXLGNRJXAHMX-CQSZACIVSA-N 1 1 278.783 3.213 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@H](C)[C@H](C)C2)ccc1C#N ZINC001238410860 819988776 /nfs/dbraw/zinc/98/87/76/819988776.db2.gz VDAWCFGBNLXGEN-UONOGXRCSA-N 1 1 272.392 3.435 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(OCC)ccc2C)C1 ZINC001238705803 820091337 /nfs/dbraw/zinc/09/13/37/820091337.db2.gz AXUDVVUJNXUHDO-OAHLLOKOSA-N 1 1 257.377 3.239 20 30 CGEDMO Cn1ccc2c1cc[nH+]c2-c1ccccc1OCC#N ZINC001243579685 823452815 /nfs/dbraw/zinc/45/28/15/823452815.db2.gz FJMDZSGIQPFMBE-UHFFFAOYSA-N 1 1 263.300 3.143 20 30 CGEDMO CCc1cc(C[N@@H+](CCO)Cc2ccccc2)ccc1C#N ZINC001238762099 820110832 /nfs/dbraw/zinc/11/08/32/820110832.db2.gz AJUBVUNOYPIMKE-UHFFFAOYSA-N 1 1 294.398 3.115 20 30 CGEDMO CCc1cc(C[N@@H+](C)Cc2cccc(O)c2)ccc1C#N ZINC001238767493 820112890 /nfs/dbraw/zinc/11/28/90/820112890.db2.gz WHOMMSCFVDGZNW-UHFFFAOYSA-N 1 1 280.371 3.458 20 30 CGEDMO CCc1cc(C[N@@H+]2CCC[C@@H]2c2cnccn2)ccc1C#N ZINC001238770267 820113476 /nfs/dbraw/zinc/11/34/76/820113476.db2.gz AAMBFACIOQVAFD-GOSISDBHSA-N 1 1 292.386 3.248 20 30 CGEDMO CCc1cc(C[N@H+]2CCC[C@@H]2c2cnccn2)ccc1C#N ZINC001238770267 820113479 /nfs/dbraw/zinc/11/34/79/820113479.db2.gz AAMBFACIOQVAFD-GOSISDBHSA-N 1 1 292.386 3.248 20 30 CGEDMO N#Cc1ccc(-c2ccc(C[NH+]3CCOCC3)cc2)cc1F ZINC001240149931 820858326 /nfs/dbraw/zinc/85/83/26/820858326.db2.gz MUIAEHXKEKCUSH-UHFFFAOYSA-N 1 1 296.345 3.197 20 30 CGEDMO C[N@H+]1CCc2cc(-c3ccc(C#N)c(F)c3)ccc2C1 ZINC001240157776 820865489 /nfs/dbraw/zinc/86/54/89/820865489.db2.gz YAUQLPPUDXXTLL-UHFFFAOYSA-N 1 1 266.319 3.352 20 30 CGEDMO N#Cc1ncc(C2=CCC[N@@H+](Cc3ccccc3)C2)cc1F ZINC001240387922 821011664 /nfs/dbraw/zinc/01/16/64/821011664.db2.gz WFSUPSPABBMNBZ-UHFFFAOYSA-N 1 1 293.345 3.382 20 30 CGEDMO C[N@H+]1CC[C@@H](c2ccc(-c3ccnc(C#N)c3)cc2)C1 ZINC001241199903 821634590 /nfs/dbraw/zinc/63/45/90/821634590.db2.gz GMFAQXKNNNYTAB-MRXNPFEDSA-N 1 1 263.344 3.039 20 30 CGEDMO N#CCc1ccnc(C2=CC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001241501965 821904478 /nfs/dbraw/zinc/90/44/78/821904478.db2.gz JLAKARKELPHNQT-UHFFFAOYSA-N 1 1 289.382 3.437 20 30 CGEDMO Cc1cc(N)[nH+]cc1-c1nccc2ccc(C#N)cc21 ZINC001242070546 822329431 /nfs/dbraw/zinc/32/94/31/822329431.db2.gz BTJPIWNFLSFDCB-UHFFFAOYSA-N 1 1 260.300 3.059 20 30 CGEDMO Cc1ccc(C#N)nc1N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001339657937 936381838 /nfs/dbraw/zinc/38/18/38/936381838.db2.gz BMJCDRFFOGXVIO-CABCVRRESA-N 1 1 298.434 3.327 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC001340921713 936420004 /nfs/dbraw/zinc/42/00/04/936420004.db2.gz NOAMJRQUQIVBGA-INIZCTEOSA-N 1 1 284.359 3.119 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC001340921713 936420006 /nfs/dbraw/zinc/42/00/06/936420006.db2.gz NOAMJRQUQIVBGA-INIZCTEOSA-N 1 1 284.359 3.119 20 30 CGEDMO C=C(C)CCC(=O)OC[C@H]1CCC[N@H+](C(C)C)C1 ZINC001343754739 936513237 /nfs/dbraw/zinc/51/32/37/936513237.db2.gz KBTBNMADBMNQBQ-AWEZNQCLSA-N 1 1 253.386 3.006 20 30 CGEDMO C=C(CC(C)C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001346452696 936849090 /nfs/dbraw/zinc/84/90/90/936849090.db2.gz XQNLNDYAMAPXJG-DOTOQJQBSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCCF ZINC001480371828 937047497 /nfs/dbraw/zinc/04/74/97/937047497.db2.gz GZMHPZYXMHTTOF-HOTGVXAUSA-N 1 1 296.430 3.158 20 30 CGEDMO COCC1=CC[N@@H+](CCCCC2(C#N)CCC2)CC1 ZINC001354626991 937108645 /nfs/dbraw/zinc/10/86/45/937108645.db2.gz PQHDIPDXANCNBL-UHFFFAOYSA-N 1 1 262.397 3.129 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1CCC[N@@H+]1CCCCC ZINC001481041565 926870279 /nfs/dbraw/zinc/87/02/79/926870279.db2.gz HURMDNGJWNUJCJ-HNNXBMFYSA-N 1 1 266.429 3.114 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)c1sc(C)cc1C)C(C)C ZINC001481351373 926965056 /nfs/dbraw/zinc/96/50/56/926965056.db2.gz DGJWDKYBNYXWLD-UHFFFAOYSA-N 1 1 294.464 3.381 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)[C@H]1CCCC1(C)C)C(C)C ZINC001481353602 926965636 /nfs/dbraw/zinc/96/56/36/926965636.db2.gz LTADVCDQLBQCIT-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)C2(CC)CCC2)C1 ZINC001481445603 926985617 /nfs/dbraw/zinc/98/56/17/926985617.db2.gz IDKJJIBSDWHXAO-CQSZACIVSA-N 1 1 298.858 3.147 20 30 CGEDMO C#CCC[N@H+](C)C[C@H]1CCN(C(=O)C(CC)(CC)CC)C1 ZINC001481501929 927006703 /nfs/dbraw/zinc/00/67/03/927006703.db2.gz HGPVIVBCCLOSGL-MRXNPFEDSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(CC)CC)C1 ZINC001481508339 927007434 /nfs/dbraw/zinc/00/74/34/927007434.db2.gz JCHGZZWPPBFICK-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC)CCCCC)C1 ZINC001481508705 927007559 /nfs/dbraw/zinc/00/75/59/927007559.db2.gz LIFDHXBPTNVZLO-SJORKVTESA-N 1 1 292.467 3.006 20 30 CGEDMO C#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC)CCCCC)C1 ZINC001481508702 927008212 /nfs/dbraw/zinc/00/82/12/927008212.db2.gz LIFDHXBPTNVZLO-DLBZAZTESA-N 1 1 292.467 3.006 20 30 CGEDMO C=CC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[C@H]2CC)CC1 ZINC001481518271 927011086 /nfs/dbraw/zinc/01/10/86/927011086.db2.gz OLCCLGXHJICTQG-SJORKVTESA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC(C)(C)CC(=O)NCC[N@H+](CC=C(C)C)C1CC1 ZINC001493373848 927019122 /nfs/dbraw/zinc/01/91/22/927019122.db2.gz PPWIVTLQYIMESP-UHFFFAOYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC(C)(C)CC(=O)NC1C[NH+]([C@H]2CCc3ccccc32)C1 ZINC001481560237 927027518 /nfs/dbraw/zinc/02/75/18/927027518.db2.gz CTMOIJPFQHRTES-KRWDZBQOSA-N 1 1 298.430 3.077 20 30 CGEDMO C=CCC1(C(=O)NC2C[NH+](CCCCCF)C2)CCCC1 ZINC001481608479 927040468 /nfs/dbraw/zinc/04/04/68/927040468.db2.gz OANFNEYOHSPGFI-UHFFFAOYSA-N 1 1 296.430 3.063 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)CC(C)(C)C ZINC001481677702 927053686 /nfs/dbraw/zinc/05/36/86/927053686.db2.gz JRWCYCDVXURRRO-JYJNAYRXSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[N@H+](CCCC(C)C)C1 ZINC001481688941 927059719 /nfs/dbraw/zinc/05/97/19/927059719.db2.gz BEQUHVGAFQSUPY-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](N(CC)C(=O)C2=CCCC2)C1 ZINC001481763986 927083123 /nfs/dbraw/zinc/08/31/23/927083123.db2.gz JIRHGBMMHJEOCJ-WBVHZDCISA-N 1 1 290.451 3.374 20 30 CGEDMO C=CCC1(C(=O)N[C@H](C)C[N@H+](C)C[C@H](C)CC)CCC1 ZINC001498377063 927139026 /nfs/dbraw/zinc/13/90/26/927139026.db2.gz UUJUFOQXWRWQDE-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC2(C1)CCN(C(=O)C1CC1)CC2 ZINC001482067906 927140965 /nfs/dbraw/zinc/14/09/65/927140965.db2.gz UHIATRRUCWWKBS-OAHLLOKOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)c1cc2ccc(C)cc2[nH]1 ZINC001492995388 927254564 /nfs/dbraw/zinc/25/45/64/927254564.db2.gz KTZYDTNIFZCZKI-UHFFFAOYSA-N 1 1 299.418 3.104 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@H](C)C(C)(F)F ZINC001482628800 927334460 /nfs/dbraw/zinc/33/44/60/927334460.db2.gz IBIMCJKQKPTLKM-STQMWFEESA-N 1 1 290.398 3.023 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)c1ccc(CC)cc1 ZINC001482646486 927338660 /nfs/dbraw/zinc/33/86/60/927338660.db2.gz HDTWJIJVAYFMEF-UHFFFAOYSA-N 1 1 288.435 3.219 20 30 CGEDMO CC#CCCCC(=O)N[C@H](C)C[N@@H+](C)CCC1CCCC1 ZINC001483373505 927489785 /nfs/dbraw/zinc/48/97/85/927489785.db2.gz CJENOTGHAYZNDK-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCCC(=O)N[C@@H](C)C[N@@H+](C)CC1CC2(CCC2)C1 ZINC001483377866 927492882 /nfs/dbraw/zinc/49/28/82/927492882.db2.gz HTKOEQRYDFTXEY-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CC[N@@H+]1Cc1cc2ccccc2o1 ZINC001483635090 927554544 /nfs/dbraw/zinc/55/45/44/927554544.db2.gz AAICPRUDRIFYOE-HNNXBMFYSA-N 1 1 298.386 3.090 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CC[N@H+]1Cc1cc2ccccc2o1 ZINC001483635090 927554553 /nfs/dbraw/zinc/55/45/53/927554553.db2.gz AAICPRUDRIFYOE-HNNXBMFYSA-N 1 1 298.386 3.090 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)C/C=C(/C)C=C ZINC001483674203 927565271 /nfs/dbraw/zinc/56/52/71/927565271.db2.gz XCURYDSMRKGPBO-RPZAIAHZSA-N 1 1 276.424 3.054 20 30 CGEDMO C=CCC1(C(=O)N(C)C2C[NH+](CC/C=C/CC)C2)CCC1 ZINC001483876983 927637050 /nfs/dbraw/zinc/63/70/50/927637050.db2.gz LCFGAENZILNTQZ-VOTSOKGWSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H](C)F ZINC001484017256 927662079 /nfs/dbraw/zinc/66/20/79/927662079.db2.gz ZAKFWUXMSDULLE-XHSDSOJGSA-N 1 1 296.430 3.156 20 30 CGEDMO C=C(C)CCC(=O)NC[C@]1(C)CCC[N@@H+](CCC2CC2)C1 ZINC001484162284 927684957 /nfs/dbraw/zinc/68/49/57/927684957.db2.gz ZAUMOSRSFWACOE-SFHVURJKSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)C2(C)CC(=C)C2)C1 ZINC001484168162 927687488 /nfs/dbraw/zinc/68/74/88/927687488.db2.gz KRNMXOSSWNYZQW-KRWDZBQOSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC)C2 ZINC001484384988 927699687 /nfs/dbraw/zinc/69/96/87/927699687.db2.gz FBVJOSRQHRYTNC-JONQDZQNSA-N 1 1 278.440 3.110 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)/C(C)=C\CC)CC1 ZINC001484707949 927743072 /nfs/dbraw/zinc/74/30/72/927743072.db2.gz IVXWEMHFUUICAE-NFEOESJKSA-N 1 1 284.831 3.066 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@]12C[C@H]1CCC2 ZINC001484750449 927751455 /nfs/dbraw/zinc/75/14/55/927751455.db2.gz IWTCQKMIEITANL-JFIYKMOQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+](CC)C2)C1 ZINC001484770568 927753914 /nfs/dbraw/zinc/75/39/14/927753914.db2.gz GWJRDWYCXCKZMK-IAGOWNOFSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CCC(C)C)C(C)(C)C1 ZINC001484933502 927770532 /nfs/dbraw/zinc/77/05/32/927770532.db2.gz HPSWTWZICAPSNW-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[N@H+](CCC(C)C)CC1(C)C ZINC001484929598 927773176 /nfs/dbraw/zinc/77/31/76/927773176.db2.gz DWNFDQUIJMLSFL-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C(C)C)C[C@@H]1C ZINC001484984038 927781316 /nfs/dbraw/zinc/78/13/16/927781316.db2.gz YJTRHERSVVBMND-GJZGRUSLSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CCC2(C)CC2)C[C@@H]1C ZINC001484982083 927781686 /nfs/dbraw/zinc/78/16/86/927781686.db2.gz QENSODIRSNJPJG-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)CC(C)(C)C ZINC001485046129 927792240 /nfs/dbraw/zinc/79/22/40/927792240.db2.gz BPTNANMNLQIAQV-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[C@H]2C[N@H+](C)CC(C)C)CC1 ZINC001485070597 927801979 /nfs/dbraw/zinc/80/19/79/927801979.db2.gz ZYZRYBWTSGRULF-KRWDZBQOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC1(C(=O)N2CCC[C@@H]2C[N@H+](C)CCC)CCCC1 ZINC001485080580 927804274 /nfs/dbraw/zinc/80/42/74/927804274.db2.gz TWIUYMVKUNKWJK-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC(=O)N1CCC([C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001485084995 927806140 /nfs/dbraw/zinc/80/61/40/927806140.db2.gz QMSPEWSJJCWMNX-QGZVFWFLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC(=O)NC[C@H](C)[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC001485283823 927840961 /nfs/dbraw/zinc/84/09/61/927840961.db2.gz AIGAVZBUNSZVGE-INIZCTEOSA-N 1 1 288.435 3.206 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)CC1(C)CCCCC1 ZINC001485325837 927848589 /nfs/dbraw/zinc/84/85/89/927848589.db2.gz ASOMGKQXNAAWON-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCCC#CC ZINC001485483039 927873579 /nfs/dbraw/zinc/87/35/79/927873579.db2.gz UKDOLVJLHZKLSE-QGZVFWFLSA-N 1 1 290.451 3.117 20 30 CGEDMO C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C(CC)CC ZINC001485473406 927875784 /nfs/dbraw/zinc/87/57/84/927875784.db2.gz DGDWJBJQMMOWCU-MRXNPFEDSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)C(CC)CC ZINC001485473405 927877865 /nfs/dbraw/zinc/87/78/65/927877865.db2.gz DGDWJBJQMMOWCU-INIZCTEOSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CC[NH+]1CC([C@H](C)NC(=O)[C@](C)(CC)CCCCC)C1 ZINC001485539028 927885266 /nfs/dbraw/zinc/88/52/66/927885266.db2.gz KWBJSDRUJDLWHB-MAUKXSAKSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CCCCC)C[C@@]2(C)C1 ZINC001485666241 927897935 /nfs/dbraw/zinc/89/79/35/927897935.db2.gz JQHQBECWIDUABY-HDICACEKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC([N@@H+](C)CCC2CC2)CC1 ZINC001485762216 927917154 /nfs/dbraw/zinc/91/71/54/927917154.db2.gz PJVNLPXIJQPZMM-OAHLLOKOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)C2(CC=C)CCCC2)CC1 ZINC001485770071 927919148 /nfs/dbraw/zinc/91/91/48/927919148.db2.gz QLCYHLPJADCNIE-UHFFFAOYSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C=C(CC)CC)[C@H]1C ZINC001486168895 927994584 /nfs/dbraw/zinc/99/45/84/927994584.db2.gz ALWWVCYQDDINBQ-HIFRSBDPSA-N 1 1 298.858 3.454 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C=C(CC)CC)[C@H]1C ZINC001486168895 927994594 /nfs/dbraw/zinc/99/45/94/927994594.db2.gz ALWWVCYQDDINBQ-HIFRSBDPSA-N 1 1 298.858 3.454 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)/C=C/c1ccco1)C(C)C ZINC001486361970 928008882 /nfs/dbraw/zinc/00/88/82/928008882.db2.gz ZKMXOKSGAFAYHT-CMDGGOBGSA-N 1 1 290.407 3.038 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CCSCC ZINC001230890443 928074801 /nfs/dbraw/zinc/07/48/01/928074801.db2.gz UERJLZNUZKCLDJ-HUUCEWRRSA-N 1 1 298.496 3.017 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](CCc1ccccc1)C(C)C ZINC001323894550 928082730 /nfs/dbraw/zinc/08/27/30/928082730.db2.gz FFQOKRYILMEFLH-QGZVFWFLSA-N 1 1 261.409 3.267 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(C)c2)C1 ZINC001494800040 928090174 /nfs/dbraw/zinc/09/01/74/928090174.db2.gz FQTJNTPSTRKXLF-QGZVFWFLSA-N 1 1 286.419 3.108 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)c1cc(Cl)ccc1F ZINC001492981709 937229379 /nfs/dbraw/zinc/22/93/79/937229379.db2.gz GCSMZROFUJPQOR-UHFFFAOYSA-N 1 1 298.789 3.107 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC1(C)C ZINC001488649179 928287643 /nfs/dbraw/zinc/28/76/43/928287643.db2.gz XQDPXVDMOPHVRT-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)CCCC)[C@H]1C ZINC001489248195 928318071 /nfs/dbraw/zinc/31/80/71/928318071.db2.gz DPKGGRQKFKWAJQ-OAGGEKHMSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)C2CC(C)C2)[C@H]1C ZINC001489255211 928320366 /nfs/dbraw/zinc/32/03/66/928320366.db2.gz IKCQSKYKBHYLAJ-MYBQVCMBSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1CC[N@@H+](CCF)CC(C)(C)C1 ZINC001489347640 928328269 /nfs/dbraw/zinc/32/82/69/928328269.db2.gz OYAZLBUBGZWLCD-HUUCEWRRSA-N 1 1 298.446 3.165 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)CC)CC(C)(C)C1 ZINC001489342507 928330218 /nfs/dbraw/zinc/33/02/18/928330218.db2.gz AWOSHKJEBCWHFV-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@@H+](CCCNC(=O)c1sccc1C)C1CC1 ZINC001490363591 928354088 /nfs/dbraw/zinc/35/40/88/928354088.db2.gz VYQOQNWYXDCEDE-UHFFFAOYSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)CC[N@@H+](CCCNC(=O)c1ccsc1)C1CC1 ZINC001490363508 928356501 /nfs/dbraw/zinc/35/65/01/928356501.db2.gz GFJJDCLJFYXOIQ-UHFFFAOYSA-N 1 1 292.448 3.299 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001490445655 928359216 /nfs/dbraw/zinc/35/92/16/928359216.db2.gz YGQOZCBJEHMUHW-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO CC(C)C#CC(=O)N[C@H]1CCC[N@@H+](CCCC(C)(C)C)C1 ZINC001490436042 928362845 /nfs/dbraw/zinc/36/28/45/928362845.db2.gz CXBHPIGRPSKTPH-INIZCTEOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H](CCC)CC(C)C)C1 ZINC001490579563 928374317 /nfs/dbraw/zinc/37/43/17/928374317.db2.gz FTWFFFJYVXBZHE-HZPDHXFCSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)C=C(CC)CC)C1 ZINC001490754024 928385793 /nfs/dbraw/zinc/38/57/93/928385793.db2.gz DFOMELDMBQMWBI-INIZCTEOSA-N 1 1 278.440 3.089 20 30 CGEDMO C#CCCCCCC(=O)N1CCC[C@H](C[N@H+](C)C(C)C)C1 ZINC001490768919 928386677 /nfs/dbraw/zinc/38/66/77/928386677.db2.gz WOCYCDRSBLZJOL-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)/C=C(\C)CC)C1 ZINC001490761459 928388318 /nfs/dbraw/zinc/38/83/18/928388318.db2.gz XQNDIIYGIDNTPI-MOKGIYGOSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCC[N@H+](C)CCNC(=O)[C@H](C)c1cccc(Cl)c1 ZINC001492866837 937242873 /nfs/dbraw/zinc/24/28/73/937242873.db2.gz KVQFDTDPZSPVPZ-CYBMUJFWSA-N 1 1 294.826 3.068 20 30 CGEDMO C=CCn1cnn(C[N@H+]2CCCC[C@@H]2CC(C)C)c1=S ZINC001322499509 928512887 /nfs/dbraw/zinc/51/28/87/928512887.db2.gz AJQYQKFMNZTWIA-CQSZACIVSA-N 1 1 294.468 3.458 20 30 CGEDMO C=CCn1cnn(C[N@@H+]2CCCC[C@@H]2CC(C)C)c1=S ZINC001322499509 928512895 /nfs/dbraw/zinc/51/28/95/928512895.db2.gz AJQYQKFMNZTWIA-CQSZACIVSA-N 1 1 294.468 3.458 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1CCCC[N@@H+]1CCC(=C)C ZINC001491219774 928844023 /nfs/dbraw/zinc/84/40/23/928844023.db2.gz YFOLVLBTXBFNOO-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCCCCCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001449211389 937378932 /nfs/dbraw/zinc/37/89/32/937378932.db2.gz IQRREXFEIDEYBO-UHFFFAOYSA-N 1 1 268.445 3.217 20 30 CGEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001459424232 937488092 /nfs/dbraw/zinc/48/80/92/937488092.db2.gz PPTGWNUUIQCCKQ-QRVBRYPASA-N 1 1 298.430 3.443 20 30 CGEDMO C[C@@H](c1ccco1)[N@@H+](C[C@H](O)c1cccc(C#N)c1)C1CC1 ZINC001459722249 937497826 /nfs/dbraw/zinc/49/78/26/937497826.db2.gz YEIDZWRMXKKQGH-GUYCJALGSA-N 1 1 296.370 3.410 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](CC[C@@H]2CCC[C@@H](C)C2)C1 ZINC001459815202 937501048 /nfs/dbraw/zinc/50/10/48/937501048.db2.gz BOQZVYQOBLUPDY-OWCLPIDISA-N 1 1 251.414 3.480 20 30 CGEDMO C=C(C)C[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1CCC ZINC001459928897 937506362 /nfs/dbraw/zinc/50/63/62/937506362.db2.gz JZZYMTJMTYLQMS-CQSZACIVSA-N 1 1 282.428 3.284 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)ccn1)CC1(c2ccccc2)CC1 ZINC001459951380 937508080 /nfs/dbraw/zinc/50/80/80/937508080.db2.gz BKAXASIWVDBXAJ-UHFFFAOYSA-N 1 1 277.371 3.117 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CCN(C)Cc1ccccc1 ZINC001460040288 937512573 /nfs/dbraw/zinc/51/25/73/937512573.db2.gz FEMXUIHNCRPESZ-KRWDZBQOSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C[C@H]1CCCCN1CC[N@@H+](C)Cc1ccccc1 ZINC001460040288 937512574 /nfs/dbraw/zinc/51/25/74/937512574.db2.gz FEMXUIHNCRPESZ-KRWDZBQOSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C[C@H]1CCCCN1CC[N@H+](C)Cc1ccccc1 ZINC001460040288 937512576 /nfs/dbraw/zinc/51/25/76/937512576.db2.gz FEMXUIHNCRPESZ-KRWDZBQOSA-N 1 1 258.409 3.159 20 30 CGEDMO C#CCCCCCC[N@@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC001460193394 937520162 /nfs/dbraw/zinc/52/01/62/937520162.db2.gz CKVHGHZWJBGSPL-HZPDHXFCSA-N 1 1 263.425 3.460 20 30 CGEDMO C=CCCCC[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C ZINC001460208160 937520193 /nfs/dbraw/zinc/52/01/93/937520193.db2.gz LEHHFTSXFCOXNT-CYBMUJFWSA-N 1 1 255.402 3.252 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1cccc(C#N)c1 ZINC001460748361 937543121 /nfs/dbraw/zinc/54/31/21/937543121.db2.gz MQEMHWGUFRFULL-NSHDSACASA-N 1 1 299.305 3.456 20 30 CGEDMO C=CCCC[N@H+](CC)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC001460899945 937552018 /nfs/dbraw/zinc/55/20/18/937552018.db2.gz LKPXLEVXYDVRBZ-QGZVFWFLSA-N 1 1 286.419 3.294 20 30 CGEDMO C=CC[C@@H](Oc1ccc(C(=[NH2+])NO)c(F)c1)C(C)C ZINC001229079834 932089161 /nfs/dbraw/zinc/08/91/61/932089161.db2.gz BNIPPMCROIOSLV-CYBMUJFWSA-N 1 1 266.316 3.109 20 30 CGEDMO N#Cc1cc(C[NH2+]Cc2noc3ccccc32)cs1 ZINC001461755327 937595759 /nfs/dbraw/zinc/59/57/59/937595759.db2.gz UPMFYAMWHGAWKA-UHFFFAOYSA-N 1 1 269.329 3.051 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)C2(CC)CCCC2)CC1 ZINC001229858875 932495175 /nfs/dbraw/zinc/49/51/75/932495175.db2.gz VGIKRJPOKYXUGA-UHFFFAOYSA-N 1 1 298.858 3.290 20 30 CGEDMO C#CC[N@@H+](CC1CCSCC1)C1CCCCC1 ZINC001461894959 937604846 /nfs/dbraw/zinc/60/48/46/937604846.db2.gz GQPBSSRKJOSENZ-UHFFFAOYSA-N 1 1 251.439 3.398 20 30 CGEDMO C#CC[N@@H+](CC#CC)CCc1ccc(C(C)C)cc1 ZINC001461955711 937608085 /nfs/dbraw/zinc/60/80/85/937608085.db2.gz CRCAYIAQILTREV-UHFFFAOYSA-N 1 1 253.389 3.311 20 30 CGEDMO C[C@@H](Oc1ccc2[nH+]c(N)[nH]c2c1)c1ccccc1C#N ZINC001230517977 932582022 /nfs/dbraw/zinc/58/20/22/932582022.db2.gz JXTMMMOKTUHWME-SNVBAGLBSA-N 1 1 278.315 3.157 20 30 CGEDMO C=C(C)C[C@@H](Oc1ccc2[nH+]c(N)[nH]c2c1)C(=C)C ZINC001230519028 932582518 /nfs/dbraw/zinc/58/25/18/932582518.db2.gz XJNUPQGUXCRFHJ-CQSZACIVSA-N 1 1 257.337 3.435 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)/C(C)=C/CC)CC1 ZINC001230531293 932583706 /nfs/dbraw/zinc/58/37/06/932583706.db2.gz ZKHFYDCHBGAZJZ-QRMGNNRRSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CCC(=O)N1CCC([C@H]2CCC[N@@H+]2CC)CC1 ZINC001230572749 932591753 /nfs/dbraw/zinc/59/17/53/932591753.db2.gz SSNFPTCNPCTOFU-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1 ZINC001230622360 932599979 /nfs/dbraw/zinc/59/99/79/932599979.db2.gz XYBNYMNHBJLAEU-NVXWUHKLSA-N 1 1 286.419 3.188 20 30 CGEDMO Cc1noc2ncc(C[N@@H+](C)Cc3cccc(C#N)c3)cc12 ZINC001462018532 937612888 /nfs/dbraw/zinc/61/28/88/937612888.db2.gz HZISSDADCBFJPM-UHFFFAOYSA-N 1 1 292.342 3.035 20 30 CGEDMO CC#CCC[NH2+]Cc1nc(Cl)ccc1Br ZINC001462024635 937613396 /nfs/dbraw/zinc/61/33/96/937613396.db2.gz WDFZAPGWIFMFPM-UHFFFAOYSA-N 1 1 287.588 3.001 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccoc1 ZINC001230757919 932620796 /nfs/dbraw/zinc/62/07/96/932620796.db2.gz CYXITQQPZCOWAI-INIZCTEOSA-N 1 1 292.423 3.396 20 30 CGEDMO C=CC[N@H+](CCOC)CC1C2CC3CC(C2)CC1C3 ZINC001462187278 937624082 /nfs/dbraw/zinc/62/40/82/937624082.db2.gz COTQUIUZXGFKMY-UHFFFAOYSA-N 1 1 263.425 3.193 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)C(=C)C ZINC001316599699 932743781 /nfs/dbraw/zinc/74/37/81/932743781.db2.gz FDXXQBPJHRWOIZ-CVEARBPZSA-N 1 1 292.467 3.476 20 30 CGEDMO C=C1CC(C)(C(=O)N(C)C[C@H]2CC[N@@H+]2CCCCC)C1 ZINC001316601398 932745584 /nfs/dbraw/zinc/74/55/84/932745584.db2.gz CACZXNAKSYBNAP-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC001332867017 932755097 /nfs/dbraw/zinc/75/50/97/932755097.db2.gz PLFRQCAMIWORNL-HOTGVXAUSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC001491903790 932794914 /nfs/dbraw/zinc/79/49/14/932794914.db2.gz FSIABCAPRGCIEC-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)CCC2CC2)C1 ZINC001491951737 932798171 /nfs/dbraw/zinc/79/81/71/932798171.db2.gz LJTIDEAMOHWJOX-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)C2CCC(=C)CC2)C1 ZINC001491947196 932798883 /nfs/dbraw/zinc/79/88/83/932798883.db2.gz RDKRPTFPGOVMBT-KRWDZBQOSA-N 1 1 290.451 3.232 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H](C)CCCC ZINC001492149721 932806132 /nfs/dbraw/zinc/80/61/32/932806132.db2.gz WJEJZKXCSNFQFB-DLBZAZTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1cccc(C)c1 ZINC001492138188 932809328 /nfs/dbraw/zinc/80/93/28/932809328.db2.gz OGGXOYVFGJVJHM-KRWDZBQOSA-N 1 1 286.419 3.155 20 30 CGEDMO C=CCC[N@H+](C)CCNC(=O)C[C@H](C)CC(C)(C)C ZINC001492432824 932818184 /nfs/dbraw/zinc/81/81/84/932818184.db2.gz VRQTVCZYALNWQA-AWEZNQCLSA-N 1 1 268.445 3.073 20 30 CGEDMO CC(C)C[C@H]1CCCC[N@H+]1Cc1cc(C#N)ccn1 ZINC001307557091 932970465 /nfs/dbraw/zinc/97/04/65/932970465.db2.gz CGZMQXTWRQTIHA-MRXNPFEDSA-N 1 1 257.381 3.354 20 30 CGEDMO N#CC1(CC[N@@H+]2CC[C@@H]3[C@H](C2)C3(F)F)CCCCC1 ZINC001307598283 932974636 /nfs/dbraw/zinc/97/46/36/932974636.db2.gz VTCPQZNNRJMMRJ-OLZOCXBDSA-N 1 1 268.351 3.438 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](CCO)C1CCCCC1 ZINC001307597454 932974698 /nfs/dbraw/zinc/97/46/98/932974698.db2.gz HRVARHYJPLWIOZ-UHFFFAOYSA-N 1 1 286.419 3.302 20 30 CGEDMO C=CCN(C)CC[N@@H+](CC)CC[C@@H]1CC1(Cl)Cl ZINC001307730394 932992310 /nfs/dbraw/zinc/99/23/10/932992310.db2.gz YFJBGJVZGWPEAB-GFCCVEGCSA-N 1 1 279.255 3.010 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1c[nH]c(=O)c2ccccc12 ZINC001307732496 932993309 /nfs/dbraw/zinc/99/33/09/932993309.db2.gz OJYRSTYWBLIDFL-AWEZNQCLSA-N 1 1 268.360 3.481 20 30 CGEDMO CC1(C)CCC[N@H+](C[Si](C)(C)c2ccccc2)[C@H]1C#N ZINC001307747447 932995941 /nfs/dbraw/zinc/99/59/41/932995941.db2.gz WENUPNCKNLKEBI-INIZCTEOSA-N 1 1 286.495 3.155 20 30 CGEDMO CC1(C)CCC[N@@H+](C[Si](C)(C)c2ccccc2)[C@H]1C#N ZINC001307747447 932995943 /nfs/dbraw/zinc/99/59/43/932995943.db2.gz WENUPNCKNLKEBI-INIZCTEOSA-N 1 1 286.495 3.155 20 30 CGEDMO CCC[N@@H+](C)CC(C)(C)NCc1c(C)cc(C#N)cc1C ZINC001307954746 933026165 /nfs/dbraw/zinc/02/61/65/933026165.db2.gz UMJODTGEAMMVKZ-UHFFFAOYSA-N 1 1 287.451 3.385 20 30 CGEDMO CCCN(C)CC(C)(C)[NH2+]Cc1c(C)cc(C#N)cc1C ZINC001307954746 933026168 /nfs/dbraw/zinc/02/61/68/933026168.db2.gz UMJODTGEAMMVKZ-UHFFFAOYSA-N 1 1 287.451 3.385 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(C3(C(=O)OC)CC3)cc2)C1 ZINC001307961053 933027354 /nfs/dbraw/zinc/02/73/54/933027354.db2.gz GDVRWSIMLAJCET-OAHLLOKOSA-N 1 1 299.414 3.289 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC001308069261 933042798 /nfs/dbraw/zinc/04/27/98/933042798.db2.gz UPVHZZIJPZLUNT-NSHDSACASA-N 1 1 251.732 3.324 20 30 CGEDMO C#CC[N@@H+](CC(=O)Nc1cccc(Cl)c1C)C(C)(C)C ZINC001308088176 933045919 /nfs/dbraw/zinc/04/59/19/933045919.db2.gz MLLJIFAUKMIJAT-UHFFFAOYSA-N 1 1 292.810 3.321 20 30 CGEDMO C#CC[N@H+](CC(=O)Nc1cccc(Cl)c1C)C(C)(C)C ZINC001308088176 933045925 /nfs/dbraw/zinc/04/59/25/933045925.db2.gz MLLJIFAUKMIJAT-UHFFFAOYSA-N 1 1 292.810 3.321 20 30 CGEDMO COc1nscc1C[N@H+](C)CCCCC1(C#N)CCC1 ZINC001308109233 933050074 /nfs/dbraw/zinc/05/00/74/933050074.db2.gz NWRKWYWBPQZBDO-UHFFFAOYSA-N 1 1 293.436 3.448 20 30 CGEDMO COc1nscc1C[N@@H+](C)CCCCC1(C#N)CCC1 ZINC001308109233 933050077 /nfs/dbraw/zinc/05/00/77/933050077.db2.gz NWRKWYWBPQZBDO-UHFFFAOYSA-N 1 1 293.436 3.448 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001308124146 933052628 /nfs/dbraw/zinc/05/26/28/933052628.db2.gz JWKODRFEYDEWHF-HUUCEWRRSA-N 1 1 296.455 3.435 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1[C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC001308142817 933057265 /nfs/dbraw/zinc/05/72/65/933057265.db2.gz WXLPUALRBWEWBI-DLBZAZTESA-N 1 1 298.430 3.368 20 30 CGEDMO C=CCCCC[N@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC001308145325 933057867 /nfs/dbraw/zinc/05/78/67/933057867.db2.gz KXPHRKSVRAUYFD-HZPDHXFCSA-N 1 1 251.414 3.481 20 30 CGEDMO C=CC[N@@H+](CCOC)Cc1cc(Cl)ccc1OCC ZINC001308742024 933168058 /nfs/dbraw/zinc/16/80/58/933168058.db2.gz MDGXBVOUCSENCO-UHFFFAOYSA-N 1 1 283.799 3.373 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cc(Cl)ccc1OCC ZINC001308742024 933168060 /nfs/dbraw/zinc/16/80/60/933168060.db2.gz MDGXBVOUCSENCO-UHFFFAOYSA-N 1 1 283.799 3.373 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCO[C@H](C(C)(C)C)CC2)cc1 ZINC001308984979 933223059 /nfs/dbraw/zinc/22/30/59/933223059.db2.gz UIGNHFPSGPVWJO-KRWDZBQOSA-N 1 1 271.404 3.305 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](CNC(=O)C[C@@H](C)CC(C)C)C1 ZINC001317531769 933360734 /nfs/dbraw/zinc/36/07/34/933360734.db2.gz DOFRJFPXOQTVNO-HOTGVXAUSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C2(CC)CCC2)C[C@@H]1C ZINC001328265640 933431352 /nfs/dbraw/zinc/43/13/52/933431352.db2.gz CEFMGJRMZGQRFO-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC2(C)C)C1 ZINC001316984359 933464204 /nfs/dbraw/zinc/46/42/04/933464204.db2.gz JJSYATFHMTWVDK-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C(C)(C)C)[C@H]1C ZINC001316786052 933464429 /nfs/dbraw/zinc/46/44/29/933464429.db2.gz AAMAFVVMILFOFL-KFWWJZLASA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCCC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)CCC=C)CC[C@@H]2C1 ZINC001316749296 933477348 /nfs/dbraw/zinc/47/73/48/933477348.db2.gz JCIJYADKFSAFRS-BBWFWOEESA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)CCC)C[C@@H]2C1 ZINC001316748621 933478029 /nfs/dbraw/zinc/47/80/29/933478029.db2.gz COTSKKUILZVXEU-ZACQAIPSSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@@H+](C)CCCNC(=O)c1cc(C)ccc1C ZINC001316861566 933487315 /nfs/dbraw/zinc/48/73/15/933487315.db2.gz GWYNLWBIEYQMIM-UHFFFAOYSA-N 1 1 288.435 3.321 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)CCCCC)C1 ZINC001316937357 933497043 /nfs/dbraw/zinc/49/70/43/933497043.db2.gz GEXRDEJBVFWADE-OAHLLOKOSA-N 1 1 266.429 3.114 20 30 CGEDMO C#CC[N@H+](CCCNC(=O)c1ccc(C(C)C)cc1)C1CC1 ZINC001316927689 933497364 /nfs/dbraw/zinc/49/73/64/933497364.db2.gz ULHKBBMSVQORGZ-UHFFFAOYSA-N 1 1 298.430 3.028 20 30 CGEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](CC)CCCCCC)C1 ZINC001316947273 933500814 /nfs/dbraw/zinc/50/08/14/933500814.db2.gz JSRPZASXEBEXGT-IAGOWNOFSA-N 1 1 292.467 3.197 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](CC)CCCCCC)C1 ZINC001316947273 933500819 /nfs/dbraw/zinc/50/08/19/933500819.db2.gz JSRPZASXEBEXGT-IAGOWNOFSA-N 1 1 292.467 3.197 20 30 CGEDMO CC(C)(C)C#CC(=O)N[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001316978002 933504864 /nfs/dbraw/zinc/50/48/64/933504864.db2.gz NECQKKKYOXBBON-HNNXBMFYSA-N 1 1 292.467 3.053 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)CC(C)(F)F)C1 ZINC001316985705 933505898 /nfs/dbraw/zinc/50/58/98/933505898.db2.gz HPIXPOXHBFZMPX-ZDUSSCGKSA-N 1 1 290.398 3.193 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H](C[N@@H+](C)C/C=C/Cl)C1 ZINC001317038234 933518156 /nfs/dbraw/zinc/51/81/56/933518156.db2.gz HAENBLQYQYISCZ-KGXGESDWSA-N 1 1 298.858 3.122 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@H](C[N@@H+](C)C/C=C/Cl)C1 ZINC001317038237 933519738 /nfs/dbraw/zinc/51/97/38/933519738.db2.gz HAENBLQYQYISCZ-RCQQVGEISA-N 1 1 298.858 3.122 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H](C[N@H+](C)C[C@H](F)CC)C1 ZINC001317037473 933519823 /nfs/dbraw/zinc/51/98/23/933519823.db2.gz SYCGRJAIXHJZOA-HZPDHXFCSA-N 1 1 298.446 3.261 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[C@H]([N@@H+](C)CCCF)C2)CC1 ZINC001317377361 933579851 /nfs/dbraw/zinc/57/98/51/933579851.db2.gz CCIDHIDVTYFULJ-INIZCTEOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1CCCNC(=O)/C=C(\C)CC ZINC001317422289 933590551 /nfs/dbraw/zinc/59/05/51/933590551.db2.gz SBBMZXJZLXCNBS-HFBDAHEESA-N 1 1 298.858 3.456 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H]1CC[N@H+](CC/C=C/CC)C1 ZINC001317520401 933610055 /nfs/dbraw/zinc/61/00/55/933610055.db2.gz MLPHHPASQQMTGX-SQRWCISFSA-N 1 1 278.440 3.137 20 30 CGEDMO C#CCC[N@@H+](CCC)CCNC(=O)[C@H](C)[C@@H](C)C(C)(C)C ZINC001317544658 933614681 /nfs/dbraw/zinc/61/46/81/933614681.db2.gz QWDFIHAZXHGYCI-HZPDHXFCSA-N 1 1 294.483 3.156 20 30 CGEDMO C=CCCC[N@H+](CCNC(=O)[C@H]1CCC[C@@H](F)C1)C1CC1 ZINC001317553132 933617881 /nfs/dbraw/zinc/61/78/81/933617881.db2.gz QEBFUICTFUTZNH-LSDHHAIUSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)c1sccc1CC)C1CC1 ZINC001317560743 933619663 /nfs/dbraw/zinc/61/96/63/933619663.db2.gz ALXSSDSWIJQYPS-UHFFFAOYSA-N 1 1 292.448 3.081 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCC[N@@H+](CC=C(C)C)C1CC1 ZINC001317557235 933619777 /nfs/dbraw/zinc/61/97/77/933619777.db2.gz YAGCXAJGMWXANU-QGZVFWFLSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[C@@H]([NH2+]C1CCC(C)(CC)CC1)C(=O)OC ZINC001474668052 933637643 /nfs/dbraw/zinc/63/76/43/933637643.db2.gz OUQSEFTWYNOVMG-NPCAHTBFSA-N 1 1 267.413 3.443 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ccsc2C)C1 ZINC001317758441 933644071 /nfs/dbraw/zinc/64/40/71/933644071.db2.gz HTZIPUNEDSMNML-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)c2ccoc2)C1 ZINC001317774375 933646082 /nfs/dbraw/zinc/64/60/82/933646082.db2.gz HUAPVVFPISLUJU-HUUCEWRRSA-N 1 1 290.407 3.076 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](N(CCC)C(=O)CCCCCC)C1 ZINC001317769365 933647647 /nfs/dbraw/zinc/64/76/47/933647647.db2.gz BYDLUTNGTGEYKL-KRWDZBQOSA-N 1 1 292.467 3.293 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)CC[C@H](C)CC)C1 ZINC001317806092 933652649 /nfs/dbraw/zinc/65/26/49/933652649.db2.gz REXYBSXNIQVIFZ-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)C[C@@H](C)C2CC2)C1 ZINC001317811512 933653835 /nfs/dbraw/zinc/65/38/35/933653835.db2.gz NNJKLKIUIBABQB-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C#CCCCCCC(=O)N[C@H]1CCC[N@H+](C[C@@H](C)CC)C1 ZINC001317979363 933671328 /nfs/dbraw/zinc/67/13/28/933671328.db2.gz JBERYRHQWZSHIZ-IRXDYDNUSA-N 1 1 292.467 3.197 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)c2ccc(C)s2)C1 ZINC001317994512 933675068 /nfs/dbraw/zinc/67/50/68/933675068.db2.gz DQGXFRHNETZMRO-UHFFFAOYSA-N 1 1 294.464 3.441 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C1CCC1 ZINC001318205669 933693424 /nfs/dbraw/zinc/69/34/24/933693424.db2.gz KFGOKYRPVJLJMF-HOTGVXAUSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[C@@H](C)CC ZINC001318201139 933694184 /nfs/dbraw/zinc/69/41/84/933694184.db2.gz GYQCMQYOUMROIA-ULQDDVLXSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@](C)(F)CCCC)C1 ZINC001318411388 933721485 /nfs/dbraw/zinc/72/14/85/933721485.db2.gz CVPBMLMPJVIKKT-DOTOQJQBSA-N 1 1 298.446 3.404 20 30 CGEDMO C#CC[N@H+](Cc1cccc(OC2CC2)c1F)C(C)C ZINC001474734250 933811917 /nfs/dbraw/zinc/81/19/17/933811917.db2.gz NKVNRBOKBYIPPW-UHFFFAOYSA-N 1 1 261.340 3.211 20 30 CGEDMO C#CC[N@@H+](Cc1cccc(OC2CC2)c1F)C(C)C ZINC001474734250 933811922 /nfs/dbraw/zinc/81/19/22/933811922.db2.gz NKVNRBOKBYIPPW-UHFFFAOYSA-N 1 1 261.340 3.211 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@H](C)c1ccsc1 ZINC001320041305 933985256 /nfs/dbraw/zinc/98/52/56/933985256.db2.gz CZTLEIHMQVIDQK-CQSZACIVSA-N 1 1 294.464 3.208 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2c[nH]nc2-c2cccc(C)c2)C1 ZINC001320085183 933994392 /nfs/dbraw/zinc/99/43/92/933994392.db2.gz DPSGMAJPYGDMQT-KRWDZBQOSA-N 1 1 297.402 3.162 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCCC)C1 ZINC001320103939 934002185 /nfs/dbraw/zinc/00/21/85/934002185.db2.gz OCKHXLWBEWLLDP-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@@H](COC)[NH2+]Cc1cc(Cl)cc(Cl)c1OC ZINC001320584936 934069633 /nfs/dbraw/zinc/06/96/33/934069633.db2.gz XSINZPLSOMXLOM-NSHDSACASA-N 1 1 290.190 3.293 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2ccsc2Cl)C1 ZINC001320716459 934093942 /nfs/dbraw/zinc/09/39/42/934093942.db2.gz GOZOEDVVVFXDPA-NSHDSACASA-N 1 1 257.786 3.178 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccsc2Cl)C1 ZINC001320716459 934093954 /nfs/dbraw/zinc/09/39/54/934093954.db2.gz GOZOEDVVVFXDPA-NSHDSACASA-N 1 1 257.786 3.178 20 30 CGEDMO Cn1cc(-c2ccc(C[N@H+](CCC#N)CC3CC3)cc2)cn1 ZINC001321029964 934139139 /nfs/dbraw/zinc/13/91/39/934139139.db2.gz JQHJTJCXBIPIPU-UHFFFAOYSA-N 1 1 294.402 3.213 20 30 CGEDMO Cn1cc(-c2ccc(C[N@@H+](CCC#N)CC3CC3)cc2)cn1 ZINC001321029964 934139142 /nfs/dbraw/zinc/13/91/42/934139142.db2.gz JQHJTJCXBIPIPU-UHFFFAOYSA-N 1 1 294.402 3.213 20 30 CGEDMO CC(C)[N@H+](CCC#N)Cc1ccc(-c2cnn(C)c2)cc1 ZINC001321032113 934139636 /nfs/dbraw/zinc/13/96/36/934139636.db2.gz WRDOIZGOXDSFOE-UHFFFAOYSA-N 1 1 282.391 3.211 20 30 CGEDMO CC(C)[N@@H+](CCC#N)Cc1ccc(-c2cnn(C)c2)cc1 ZINC001321032113 934139637 /nfs/dbraw/zinc/13/96/37/934139637.db2.gz WRDOIZGOXDSFOE-UHFFFAOYSA-N 1 1 282.391 3.211 20 30 CGEDMO C[NH+]1CCN(N=CC2CCC(c3ccccc3)CC2)CC1 ZINC001321164229 934158520 /nfs/dbraw/zinc/15/85/20/934158520.db2.gz DIGKKFJCPBULDQ-UHFFFAOYSA-N 1 1 285.435 3.194 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(F)c(Cl)c1 ZINC001322232111 934260107 /nfs/dbraw/zinc/26/01/07/934260107.db2.gz ZYBPSKFBUWMHHI-LLVKDONJSA-N 1 1 298.789 3.105 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)C1(F)CCCCC1 ZINC001322273155 934269390 /nfs/dbraw/zinc/26/93/90/934269390.db2.gz DRHKTKNODSTJLZ-AWEZNQCLSA-N 1 1 284.419 3.062 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CC[N@@H+]2CC/C=C\CC)CCC1 ZINC001323300684 934382230 /nfs/dbraw/zinc/38/22/30/934382230.db2.gz BIIWTJQABYNOSR-OGZRUICASA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCO[C@H]1CC[N@H+]([C@@H](C)c2ccc(F)cc2F)C1 ZINC001323729081 934421970 /nfs/dbraw/zinc/42/19/70/934421970.db2.gz OKDOHTLNQOKGNJ-AAEUAGOBSA-N 1 1 267.319 3.303 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC001323727908 934422654 /nfs/dbraw/zinc/42/26/54/934422654.db2.gz JPBJXDMGMADDNA-OAHLLOKOSA-N 1 1 284.359 3.119 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC001323727908 934422660 /nfs/dbraw/zinc/42/26/60/934422660.db2.gz JPBJXDMGMADDNA-OAHLLOKOSA-N 1 1 284.359 3.119 20 30 CGEDMO C=C(C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001323773730 934423731 /nfs/dbraw/zinc/42/37/31/934423731.db2.gz HMVDHHQCKLFBMG-CALCHBBNSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)C[C@@H](C)CCC)C2)C1 ZINC001323844902 934431722 /nfs/dbraw/zinc/43/17/22/934431722.db2.gz MTMAOHYDCPOQFI-WMZOPIPTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCCCC[NH+]1CC(N(C)C(=O)C2(C3CC3)CC2)C1 ZINC001323946093 934440728 /nfs/dbraw/zinc/44/07/28/934440728.db2.gz KQGJKJBUPOIKKD-UHFFFAOYSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2ccc3occc3c2)C1 ZINC001323965336 934442831 /nfs/dbraw/zinc/44/28/31/934442831.db2.gz NSRRRSYLRQXYNV-OAHLLOKOSA-N 1 1 257.333 3.210 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC2(C1)CC[N@H+](CCC(C)C)C2 ZINC001472131700 937772845 /nfs/dbraw/zinc/77/28/45/937772845.db2.gz SUMHTWPKNGGJKD-UHFFFAOYSA-N 1 1 292.467 3.169 20 30 CGEDMO C#CC[N@@H+](Cc1ncc(-c2ccccc2)o1)CC1CC1 ZINC001324381584 934496631 /nfs/dbraw/zinc/49/66/31/934496631.db2.gz KHBOMVGQZIGSKM-UHFFFAOYSA-N 1 1 266.344 3.187 20 30 CGEDMO C#CC[N@H+](Cc1ncc(-c2ccccc2)o1)CC1CC1 ZINC001324381584 934496636 /nfs/dbraw/zinc/49/66/36/934496636.db2.gz KHBOMVGQZIGSKM-UHFFFAOYSA-N 1 1 266.344 3.187 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)C(C)=C2CCC2)C1 ZINC001324616831 934533981 /nfs/dbraw/zinc/53/39/81/934533981.db2.gz XVOZPZXDVGLOFW-QGZVFWFLSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](CC)CC2CCCC2)C1 ZINC001324656964 934543262 /nfs/dbraw/zinc/54/32/62/934543262.db2.gz OXYQPKAUNBYVRE-FUHWJXTLSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CC[N@@H+](C[C@H]1COC2(CCCCC2)O1)C1CCCCC1 ZINC001473137486 937794137 /nfs/dbraw/zinc/79/41/37/937794137.db2.gz WVASJJMJPKKTPJ-KRWDZBQOSA-N 1 1 291.435 3.330 20 30 CGEDMO C=CC[N@@H+](CC1CCCCC1)[C@H]1CCN(C2CCC2)C1=O ZINC001473162091 937795199 /nfs/dbraw/zinc/79/51/99/937795199.db2.gz BRWRYVZSZSEVFD-KRWDZBQOSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(Cl)CN1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC001473281862 937800185 /nfs/dbraw/zinc/80/01/85/937800185.db2.gz CPMXPXIZLXLRBB-HUUCEWRRSA-N 1 1 278.827 3.334 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2C[C@@H](C)CC(C)(C)C2)cc1 ZINC001473303766 937801076 /nfs/dbraw/zinc/80/10/76/937801076.db2.gz DBFYAYXRSSNMAM-HNNXBMFYSA-N 1 1 298.430 3.365 20 30 CGEDMO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)/C(C)=C\C)C2 ZINC001325616498 934920624 /nfs/dbraw/zinc/92/06/24/934920624.db2.gz GWHWQCLKPNNXAI-JACHYLNESA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H]1CC1(C)C ZINC001325883047 934936815 /nfs/dbraw/zinc/93/68/15/934936815.db2.gz QJOBRDNWISRAFQ-OAGGEKHMSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)CCC ZINC001325880089 934937062 /nfs/dbraw/zinc/93/70/62/934937062.db2.gz JFOXXPCUPDRXQM-BRWVUGGUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H](C=C)CC ZINC001325897175 934938099 /nfs/dbraw/zinc/93/80/99/934938099.db2.gz IYXMZIYBWZFZCC-GVDBMIGSSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](CCC)C(C)C ZINC001325925392 934939556 /nfs/dbraw/zinc/93/95/56/934939556.db2.gz ZRWZHWZCHGKBKO-IXDOHACOSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]2C[N@H+]([C@@H](C)CCC=C)C[C@H]21 ZINC001325931859 934940076 /nfs/dbraw/zinc/94/00/76/934940076.db2.gz IRVNZIRJYKEEGG-YESZJQIVSA-N 1 1 290.451 3.230 20 30 CGEDMO CC(C)[C@H]1[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CC1(C)C ZINC001326192265 934957453 /nfs/dbraw/zinc/95/74/53/934957453.db2.gz FRJOFGPUYRPDQM-QGZVFWFLSA-N 1 1 299.418 3.253 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC001473659469 937814846 /nfs/dbraw/zinc/81/48/46/937814846.db2.gz HWSHWLKJVCJURS-JSGCOSHPSA-N 1 1 261.356 3.477 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCCC[C@H]1[C@H](C)CO ZINC001473632377 937814912 /nfs/dbraw/zinc/81/49/12/937814912.db2.gz YDHLTSKBVROKBJ-QAPCUYQASA-N 1 1 286.419 3.158 20 30 CGEDMO C=CC[C@@H]1[N@@H+](CC(=O)OC(C)C)CCCC1(C)C ZINC001326465411 934982337 /nfs/dbraw/zinc/98/23/37/934982337.db2.gz KVKOMRXARTZTGD-ZDUSSCGKSA-N 1 1 253.386 3.005 20 30 CGEDMO C/C=C/C[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC001473688442 937817708 /nfs/dbraw/zinc/81/77/08/937817708.db2.gz YUDMIPXNXSTDJU-XYBNCVKDSA-N 1 1 297.402 3.175 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)c1ccc(F)cc1 ZINC001327175609 935039715 /nfs/dbraw/zinc/03/97/15/935039715.db2.gz BIANCLAZNFIRHA-UHFFFAOYSA-N 1 1 292.398 3.186 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)C1CCC2(CC2)CC1 ZINC001327238670 935046749 /nfs/dbraw/zinc/04/67/49/935046749.db2.gz JAQDTSUWDHRIPL-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)[C@@H]1C[C@]1(C)C(C)C ZINC001327276684 935050970 /nfs/dbraw/zinc/05/09/70/935050970.db2.gz DYPSWKJYWRVGJR-DOTOQJQBSA-N 1 1 280.456 3.025 20 30 CGEDMO C=CCC1(C(=O)N2CCC[C@@]3(CC[N@H+](CC)C3)C2)CCC1 ZINC001327528835 935066119 /nfs/dbraw/zinc/06/61/19/935066119.db2.gz CHKDVZVFLQOTDM-KRWDZBQOSA-N 1 1 290.451 3.067 20 30 CGEDMO Cc1cc(OCCCOc2ccc(C#N)cc2)cc[nH+]1 ZINC001327517812 935066748 /nfs/dbraw/zinc/06/67/48/935066748.db2.gz MRXLKHJGSCFDNY-UHFFFAOYSA-N 1 1 268.316 3.110 20 30 CGEDMO C=C(Cl)COc1ccc([C@H](C)NCC[C@H](C)[NH2+]C)cc1 ZINC001327840107 935088938 /nfs/dbraw/zinc/08/89/38/935088938.db2.gz MOUYYZFNBZACAY-KBPBESRZSA-N 1 1 296.842 3.467 20 30 CGEDMO N#CCCC[C@@H]([NH3+])c1nc([C@@H]2CCCc3ccccc32)no1 ZINC001328026194 935110911 /nfs/dbraw/zinc/11/09/11/935110911.db2.gz XLRSXDJZZQXAGW-HUUCEWRRSA-N 1 1 296.374 3.231 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](C/C=C/Cl)[C@H](C)C1 ZINC001328266549 935126674 /nfs/dbraw/zinc/12/66/74/935126674.db2.gz JXVWDZBEFUYLCH-RTIZMKJZSA-N 1 1 298.858 3.310 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)/C=C\C(C)(C)C)C[C@@H]1C ZINC001328240918 935126686 /nfs/dbraw/zinc/12/66/86/935126686.db2.gz JYXHFZQSWKYJAD-VOUMOHMSSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](C)C(C)(C)C ZINC001328732511 935163738 /nfs/dbraw/zinc/16/37/38/935163738.db2.gz GVVNGPBAWLGQLN-LSDHHAIUSA-N 1 1 280.456 3.168 20 30 CGEDMO C[NH+](C)[C@@H]1CCCC[C@H]1NCc1ccc(C(C)(C)C#N)cc1 ZINC001329113338 935187828 /nfs/dbraw/zinc/18/78/28/935187828.db2.gz JDUJZCPMGZLXBV-QZTJIDSGSA-N 1 1 299.462 3.450 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CC(C)(C)C ZINC001329387417 935211815 /nfs/dbraw/zinc/21/18/15/935211815.db2.gz XVMUYTSNSRFLFF-KGLIPLIRSA-N 1 1 268.445 3.214 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@H](CC)CC1CCCC1 ZINC001329573938 935229330 /nfs/dbraw/zinc/22/93/30/935229330.db2.gz NVTQTOFMZFVQII-GOEBONIOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)c1cccc(C(C)C)c1 ZINC001329587831 935230909 /nfs/dbraw/zinc/23/09/09/935230909.db2.gz KOCLIQYQQZKOOG-HNNXBMFYSA-N 1 1 288.435 3.436 20 30 CGEDMO Cc1c2cc(C#N)ccc2sc1-c1nnc(C[NH+](C)C)o1 ZINC001330101779 935269138 /nfs/dbraw/zinc/26/91/38/935269138.db2.gz UXWPEIXSCCCEBA-UHFFFAOYSA-N 1 1 298.371 3.193 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)CC2(C)CC2)C(C)(C)C1 ZINC001330222578 935277750 /nfs/dbraw/zinc/27/77/50/935277750.db2.gz PCCGFFCCFDDSFN-LSDHHAIUSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC(C)C)C[C@@H]2C1 ZINC001330447239 935288083 /nfs/dbraw/zinc/28/80/83/935288083.db2.gz SADSNXNEQASNOQ-ZNMIVQPWSA-N 1 1 298.858 3.002 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC([N@@H+](C)CC(=C)Cl)CC1 ZINC001331029703 935343756 /nfs/dbraw/zinc/34/37/56/935343756.db2.gz QVURFLMQFVCUAV-UHFFFAOYSA-N 1 1 298.858 3.264 20 30 CGEDMO C=CCCCC(=O)N1CCC([N@H+](C)CC2CC(C)C2)CC1 ZINC001331038403 935344028 /nfs/dbraw/zinc/34/40/28/935344028.db2.gz DSSOCRNCZMFMMR-UHFFFAOYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)C2(CCC)CC2)CC1 ZINC001331054242 935346078 /nfs/dbraw/zinc/34/60/78/935346078.db2.gz QUSTUXAOTOOCBO-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO CC[C@H](C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccccc1 ZINC001331585433 935397203 /nfs/dbraw/zinc/39/72/03/935397203.db2.gz UCSPYJHAYGERBD-IXDOHACOSA-N 1 1 285.435 3.098 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2occc2C)[C@H]1C ZINC001332160166 935444133 /nfs/dbraw/zinc/44/41/33/935444133.db2.gz QLIMDPJKBNWODF-HUUCEWRRSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CCC[N@H+](CCC(C)C)[C@@H]1C ZINC001332188236 935447192 /nfs/dbraw/zinc/44/71/92/935447192.db2.gz ZJGHBLYWGGRTPD-HZPDHXFCSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C2(CC=C)CCC2)[C@H]1C ZINC001332197988 935448140 /nfs/dbraw/zinc/44/81/40/935448140.db2.gz GXESTNKPNWBWFF-CVEARBPZSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)CCCC#CC)[C@@H]1C ZINC001332198736 935448366 /nfs/dbraw/zinc/44/83/66/935448366.db2.gz KWRFLJYHVWSBFI-IRXDYDNUSA-N 1 1 290.451 3.115 20 30 CGEDMO CC#CC[N@@H+](C)CCN(C(=O)C[C@@H](C)CC(C)C)C(C)C ZINC001332735428 935486509 /nfs/dbraw/zinc/48/65/09/935486509.db2.gz ODSMTZGVHHGOFO-KRWDZBQOSA-N 1 1 294.483 3.251 20 30 CGEDMO COC[C@H]1CCCC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC001332904811 935496440 /nfs/dbraw/zinc/49/64/40/935496440.db2.gz GTZGJVKVHBAGSN-GPANFISMSA-N 1 1 264.413 3.065 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H]1CNc1cccc(C)n1 ZINC001333008240 935503757 /nfs/dbraw/zinc/50/37/57/935503757.db2.gz ISDVDGWSLFDNQK-ZDUSSCGKSA-N 1 1 265.788 3.019 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1CNc1cccc(C)n1 ZINC001333008240 935503763 /nfs/dbraw/zinc/50/37/63/935503763.db2.gz ISDVDGWSLFDNQK-ZDUSSCGKSA-N 1 1 265.788 3.019 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cccc(OC)c2Cl)C1 ZINC001333588387 935550413 /nfs/dbraw/zinc/55/04/13/935550413.db2.gz XAHSHENJVJSLGR-CYBMUJFWSA-N 1 1 281.783 3.126 20 30 CGEDMO CC(C)(C)[C@H]1CC[N@@H+](CC2CCC(C#N)CC2)C[C@@H]1O ZINC001333911143 936074593 /nfs/dbraw/zinc/07/45/93/936074593.db2.gz HJOWKRVRDCXDHE-CKUJCDMFSA-N 1 1 278.440 3.045 20 30 CGEDMO C#CCOCC[N@@H+](C)Cc1c(Cl)oc2ccccc21 ZINC001334649204 936107313 /nfs/dbraw/zinc/10/73/13/936107313.db2.gz ILBYXNPGLZHSSX-UHFFFAOYSA-N 1 1 277.751 3.168 20 30 CGEDMO C#CCOCC[N@H+](C)Cc1c(Cl)oc2ccccc21 ZINC001334649204 936107316 /nfs/dbraw/zinc/10/73/16/936107316.db2.gz ILBYXNPGLZHSSX-UHFFFAOYSA-N 1 1 277.751 3.168 20 30 CGEDMO C=CC[C@@H]1[N@H+](Cc2noc3c2COCC3)CCCC1(C)C ZINC001334889305 936120919 /nfs/dbraw/zinc/12/09/19/936120919.db2.gz XKCQWGLSDSDAFX-INIZCTEOSA-N 1 1 290.407 3.314 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC001335919944 936167385 /nfs/dbraw/zinc/16/73/85/936167385.db2.gz KTPGIJDZLFEBSY-RDJZCZTQSA-N 1 1 286.419 3.122 20 30 CGEDMO N#CC1(CCCC[N@H+]2CC[C@@H](Oc3ccncc3)C2)CCC1 ZINC001335965291 936169883 /nfs/dbraw/zinc/16/98/83/936169883.db2.gz CWCJPJKCNRCLFE-QGZVFWFLSA-N 1 1 299.418 3.399 20 30 CGEDMO CS[C@@H]1CC[C@H]([N@@H+](C)Cc2cc(C#N)cs2)C1 ZINC001337042443 936233618 /nfs/dbraw/zinc/23/36/18/936233618.db2.gz MTIJCLHEONGLBY-NWDGAFQWSA-N 1 1 266.435 3.336 20 30 CGEDMO Cc1[nH+]c2ccccc2c(NCC2(C#N)CCOCC2)c1C ZINC001337315884 936250012 /nfs/dbraw/zinc/25/00/12/936250012.db2.gz IPUFHILYMXZCKE-UHFFFAOYSA-N 1 1 295.386 3.006 20 30 CGEDMO CC[C@H]([NH2+]Cc1cc(C#N)ccn1)c1cc(F)ccc1OC ZINC001473814191 937822749 /nfs/dbraw/zinc/82/27/49/937822749.db2.gz ZXFWGQOGYFMLHE-INIZCTEOSA-N 1 1 299.349 3.342 20 30 CGEDMO COc1ccc(F)c(C[NH2+]Cc2ccc(C#N)s2)c1 ZINC001474185081 937843426 /nfs/dbraw/zinc/84/34/26/937843426.db2.gz MMAYKHLGDFZNSX-UHFFFAOYSA-N 1 1 276.336 3.057 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N(C)C[C@H]1CC[N@@H+]1CCCCC ZINC001479245282 937918227 /nfs/dbraw/zinc/91/82/27/937918227.db2.gz ZYTFMXJTWMVPHO-NVXWUHKLSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](NC(=O)CCCC[C@@H](C)CC)[C@H]1CC ZINC001479636359 937923144 /nfs/dbraw/zinc/92/31/44/937923144.db2.gz XIRZYMIUOPQKEP-YESZJQIVSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)CCCC)C[C@@H]2C1 ZINC001479665711 937923904 /nfs/dbraw/zinc/92/39/04/937923904.db2.gz CSKDQNZTNMUVLQ-ZACQAIPSSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)cc2)[C@@H]1C ZINC001479701132 937924271 /nfs/dbraw/zinc/92/42/71/937924271.db2.gz VVFCFOHDFGNCLE-WBVHZDCISA-N 1 1 286.419 3.040 20 30 CGEDMO C=CC[N@@H+](CC)CCCNC(=O)c1cc2occc2s1 ZINC001479854846 937927256 /nfs/dbraw/zinc/92/72/56/937927256.db2.gz YFUFDFKHSUCOMT-UHFFFAOYSA-N 1 1 292.404 3.122 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)CC(C)(C)CC)C1 ZINC001479953815 937929875 /nfs/dbraw/zinc/92/98/75/937929875.db2.gz GTZQCBVLCVLEDG-GJZGRUSLSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CCCCC(C)(C)C)C1 ZINC001479953903 937929916 /nfs/dbraw/zinc/92/99/16/937929916.db2.gz LESMZSCSPOAMTQ-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CCCC2CCCC2)C1 ZINC001479960771 937930353 /nfs/dbraw/zinc/93/03/53/937930353.db2.gz WBIHCJDBZQZSGP-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)C/C=C(\C)C=C)C1 ZINC001479961681 937930384 /nfs/dbraw/zinc/93/03/84/937930384.db2.gz GXOLAFNIJMFQPU-IYSULOHHSA-N 1 1 276.424 3.054 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](CC)CCC)C1 ZINC001480085027 937932213 /nfs/dbraw/zinc/93/22/13/937932213.db2.gz LWRIZKFQWCMWRZ-HOTGVXAUSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](C)F ZINC001480180916 937933611 /nfs/dbraw/zinc/93/36/11/937933611.db2.gz KPLCTYNXSXEYKK-HNSVSWJLSA-N 1 1 296.430 3.202 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(C)(C)F)C1 ZINC001480183908 937933803 /nfs/dbraw/zinc/93/38/03/937933803.db2.gz GQQVDGWZCHYWAO-LSDHHAIUSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC(CC)CC)C1 ZINC001480189902 937934019 /nfs/dbraw/zinc/93/40/19/937934019.db2.gz URJBTPISNPZUJY-SJORKVTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001480267222 937935569 /nfs/dbraw/zinc/93/55/69/937935569.db2.gz JCJMCMCXAWHVLR-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001480740127 937943260 /nfs/dbraw/zinc/94/32/60/937943260.db2.gz VSPONZRPDWPDTL-HZPDHXFCSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC12CCC2 ZINC001480830164 937945383 /nfs/dbraw/zinc/94/53/83/937945383.db2.gz TXTDBWPGUIKZDP-JKSUJKDBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)/C=C\C(C)(C)C ZINC001493087108 937947262 /nfs/dbraw/zinc/94/72/62/937947262.db2.gz ORMSGMFKLZXAPY-JQPIKURYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@](C)(F)CCCC ZINC001493117816 937947633 /nfs/dbraw/zinc/94/76/33/937947633.db2.gz DINGYYRDJOSUNC-HOCLYGCPSA-N 1 1 284.419 3.062 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)CC(C)(C)C=C)C1 ZINC001493206987 937948499 /nfs/dbraw/zinc/94/84/99/937948499.db2.gz NKXJPWLTCKSLRD-CVEARBPZSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)C2CCC2)C1 ZINC001493223581 937948768 /nfs/dbraw/zinc/94/87/68/937948768.db2.gz PPVIOQFJCUMUPU-OAHLLOKOSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(Cl)C[N@H+](CCC)CCNC(=O)c1ccc(F)cc1 ZINC001493270200 937949272 /nfs/dbraw/zinc/94/92/72/937949272.db2.gz NFSXAOWHBOXTTA-UHFFFAOYSA-N 1 1 298.789 3.020 20 30 CGEDMO C=C(Cl)C[N@@H+](CCC)CCNC(=O)c1ccc(F)cc1 ZINC001493270200 937949273 /nfs/dbraw/zinc/94/92/73/937949273.db2.gz NFSXAOWHBOXTTA-UHFFFAOYSA-N 1 1 298.789 3.020 20 30 CGEDMO C=C(C)CC[N@@H+](CCC)CCNC(=O)[C@H]1CC[C@H](C)C1 ZINC001493317091 937949517 /nfs/dbraw/zinc/94/95/17/937949517.db2.gz VDHWYEKWSVNPDO-HOTGVXAUSA-N 1 1 280.456 3.217 20 30 CGEDMO C#Cc1ccc(C(=O)NCCC[N@@H+](CCC=C)C(C)C)cc1 ZINC001493865257 937951691 /nfs/dbraw/zinc/95/16/91/937951691.db2.gz JHFQWJKRPAFJRW-UHFFFAOYSA-N 1 1 298.430 3.074 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001494018814 937953125 /nfs/dbraw/zinc/95/31/25/937953125.db2.gz PNHWGMNGIOTQNW-AEFFLSMTSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001494047668 937953148 /nfs/dbraw/zinc/95/31/48/937953148.db2.gz KGNVNOULWPAZMJ-RBSFLKMASA-N 1 1 298.858 3.003 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H](C)C(CC)CC)C1 ZINC001494029502 937953185 /nfs/dbraw/zinc/95/31/85/937953185.db2.gz IKWUZXWTPGSIAS-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C(CC(C)C)CC(C)C)C1 ZINC001494330794 937954153 /nfs/dbraw/zinc/95/41/53/937954153.db2.gz OYUKZOMTUHFWIC-KRWDZBQOSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)C2CCC=CCC2)C1 ZINC001494866893 937956902 /nfs/dbraw/zinc/95/69/02/937956902.db2.gz BBABHNNZKLJNGK-KRWDZBQOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C/C(C)=C\CC(=O)N(CC)[C@@H]1CC[N@@H+](CC(=C)C)C1 ZINC001494910919 937957267 /nfs/dbraw/zinc/95/72/67/937957267.db2.gz QYNFBZBBALBBIX-MVMZHWFQSA-N 1 1 276.424 3.008 20 30 CGEDMO C=CCC(CC=C)C(=O)N(CC)[C@@H]1CC[N@H+](C(C)C)C1 ZINC001494902223 937957375 /nfs/dbraw/zinc/95/73/75/937957375.db2.gz ZTOWQEOBCXRFMU-MRXNPFEDSA-N 1 1 278.440 3.086 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)C3(CC)CC3)CC[C@H]21 ZINC001496863968 937964513 /nfs/dbraw/zinc/96/45/13/937964513.db2.gz RBQPAADWNQKHBD-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)C1CCCCCCC1 ZINC001498338381 937969027 /nfs/dbraw/zinc/96/90/27/937969027.db2.gz PONMMAXGOMLSBC-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)CCc1ccccc1 ZINC001498435699 937969541 /nfs/dbraw/zinc/96/95/41/937969541.db2.gz FEZGVOPNCYDIGR-MRXNPFEDSA-N 1 1 288.435 3.022 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]1CNC(=O)C1CC=CC1 ZINC001498953103 937971336 /nfs/dbraw/zinc/97/13/36/937971336.db2.gz REYVXWYPJKIKKS-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)CC=C ZINC001499072278 937972662 /nfs/dbraw/zinc/97/26/62/937972662.db2.gz NIWJMLMUVFGVTD-LSDHHAIUSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)CCCC ZINC001499500045 937973605 /nfs/dbraw/zinc/97/36/05/937973605.db2.gz MDWXUTLYVNTLCH-BBWFWOEESA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCF ZINC001499511282 937973698 /nfs/dbraw/zinc/97/36/98/937973698.db2.gz OTZVRNCAHVYMGG-XHSDSOJGSA-N 1 1 296.430 3.156 20 30 CGEDMO C=CCCC(=O)N[C@]1(C)CC[N@H+](CC/C=C/CCC)C1 ZINC001500192212 937976339 /nfs/dbraw/zinc/97/63/39/937976339.db2.gz ZTWICBJCQWINJZ-KBOKABMXSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCCC(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001500192176 937976450 /nfs/dbraw/zinc/97/64/50/937976450.db2.gz YWXPKZOBELOFAV-SFHVURJKSA-N 1 1 286.419 3.042 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)CC2CCC2)C1 ZINC001500203924 937976461 /nfs/dbraw/zinc/97/64/61/937976461.db2.gz JMKRRCKERUXVOH-PBHICJAKSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)c2ccoc2)C1 ZINC001500474760 937977456 /nfs/dbraw/zinc/97/74/56/937977456.db2.gz ABZNPFJIIROQIG-KRWDZBQOSA-N 1 1 290.407 3.078 20 30 CGEDMO C=CCCC(=O)NC[C@]1(C)CCC[N@H+](CCC(=C)C)C1 ZINC001500482096 937977532 /nfs/dbraw/zinc/97/75/32/937977532.db2.gz OMIMLAKTOODNFJ-KRWDZBQOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC=C(C)C)C2 ZINC001501008340 937978389 /nfs/dbraw/zinc/97/83/89/937978389.db2.gz VCWZITLTGOJOCT-JYJNAYRXSA-N 1 1 290.451 3.134 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)/C=C\C(C)(C)C ZINC001501384047 937979473 /nfs/dbraw/zinc/97/94/73/937979473.db2.gz ZAOVSUNZLQCFPM-JIHRLENESA-N 1 1 290.451 3.230 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H](C)CC ZINC001501386141 937979533 /nfs/dbraw/zinc/97/95/33/937979533.db2.gz FRECKXBNWKHFEH-GVDBMIGSSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@@H+]1Cc2ccc(CNC(=O)C(C)(C)C)cc2C1 ZINC001502652874 937982827 /nfs/dbraw/zinc/98/28/27/937982827.db2.gz INWGOVMFIHURDR-UHFFFAOYSA-N 1 1 286.419 3.241 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001505430647 937985236 /nfs/dbraw/zinc/98/52/36/937985236.db2.gz GVJGFLXFIPCSFR-HRCADAONSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)C1CC(C)(C)C1 ZINC001505429331 937985316 /nfs/dbraw/zinc/98/53/16/937985316.db2.gz OYIMMNPXPHMCJR-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]([C@@H]2CC[N@H+](CC(=C)C)C2)C1 ZINC001505471862 937985686 /nfs/dbraw/zinc/98/56/86/937985686.db2.gz CKFSTTYOAUNNAE-IAGOWNOFSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)c1ccc(C)cc1Cl ZINC001506005825 937988742 /nfs/dbraw/zinc/98/87/42/937988742.db2.gz JBGOBJKNBMUVPB-ZDUSSCGKSA-N 1 1 294.826 3.275 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)/C(C)=C/CC)C(C)(C)C1 ZINC001506734071 937991501 /nfs/dbraw/zinc/99/15/01/937991501.db2.gz QLFFMGXORYDRMU-UJMHRVFCSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC(=O)N[C@H]1C[N@H+](C[C@@H](C)CC(C)C)CC1(C)C ZINC001506733491 937991802 /nfs/dbraw/zinc/99/18/02/937991802.db2.gz ZFXDKHWQWKPXPJ-HOTGVXAUSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)CCC2CCC2)C(C)(C)C1 ZINC001506737313 937991824 /nfs/dbraw/zinc/99/18/24/937991824.db2.gz OQCNWXBLWZIEBQ-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCC(=O)N[C@H]1C[N@H+](C[C@H](C)CC)CC1(C)C ZINC001506750492 937991836 /nfs/dbraw/zinc/99/18/36/937991836.db2.gz ZIUVWPQWMUHDFV-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)[C@@H](C)CC)C[C@@]2(C)C1 ZINC001506869563 937992102 /nfs/dbraw/zinc/99/21/02/937992102.db2.gz YVWAUSAEUDWMMF-CIRFHOKZSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)CCCCCC)CC1 ZINC001506966883 937993170 /nfs/dbraw/zinc/99/31/70/937993170.db2.gz HIHPHVTYQZDSIF-UHFFFAOYSA-N 1 1 280.456 3.456 20 30 CGEDMO C=CCCCC(=O)N1CCC([N@H+](C)CCCC)CC1 ZINC001506962296 937993339 /nfs/dbraw/zinc/99/33/39/937993339.db2.gz XFLQBQLJWGTYAG-UHFFFAOYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccoc2C)[C@H]1C ZINC001507368582 937995714 /nfs/dbraw/zinc/99/57/14/937995714.db2.gz MTRSQNVCSVFGIA-CZUORRHYSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)c1cccs1)C(C)C ZINC001507745916 937996637 /nfs/dbraw/zinc/99/66/37/937996637.db2.gz ZRICNPIEQIJJOU-UHFFFAOYSA-N 1 1 280.437 3.107 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)CC1CCCC1)C(C)C ZINC001507745595 937996720 /nfs/dbraw/zinc/99/67/20/937996720.db2.gz SZZARWKYJBLCRL-UHFFFAOYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCCN(CC)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001539485807 938124810 /nfs/dbraw/zinc/12/48/10/938124810.db2.gz STWGUUNDNDLEKI-MRXNPFEDSA-N 1 1 284.419 3.014 20 30 CGEDMO CCCCCCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001557613567 938211001 /nfs/dbraw/zinc/21/10/01/938211001.db2.gz ZDLZQWTWCSHDRE-GJZGRUSLSA-N 1 1 266.429 3.090 20 30 CGEDMO C=CC(C)(C)CCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001557641523 938211225 /nfs/dbraw/zinc/21/12/25/938211225.db2.gz JRPWQYXALHWMKS-UHFFFAOYSA-N 1 1 280.456 3.360 20 30 CGEDMO C#Cc1ccc(CNc2[nH+]cnc3[nH]cc(CC)c32)cc1 ZINC001559195678 938222007 /nfs/dbraw/zinc/22/20/07/938222007.db2.gz QXEIZRUYSXCTOT-UHFFFAOYSA-N 1 1 276.343 3.065 20 30 CGEDMO COCC#CCS[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001559429051 938226577 /nfs/dbraw/zinc/22/65/77/938226577.db2.gz FUYJXXQJBIIYCM-QGZVFWFLSA-N 1 1 289.444 3.034 20 30 CGEDMO C#CC[N@@H+](C[C@@H]1C[C@@H]2CCC[C@@H]2O1)C1CCCCC1 ZINC001559514184 938228227 /nfs/dbraw/zinc/22/82/27/938228227.db2.gz UKZDZFYOZBYYBA-XIRDDKMYSA-N 1 1 261.409 3.212 20 30 CGEDMO C#CC[N@@H+](C[C@@H]1C[C@H]2CCC[C@@H]2O1)C1CCCCC1 ZINC001559514183 938228361 /nfs/dbraw/zinc/22/83/61/938228361.db2.gz UKZDZFYOZBYYBA-PVAVHDDUSA-N 1 1 261.409 3.212 20 30 CGEDMO CCCCCCCC[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC001559544048 938228998 /nfs/dbraw/zinc/22/89/98/938228998.db2.gz LXABOKPPZUQVJW-XYPWUTKMSA-N 1 1 253.430 3.440 20 30 CGEDMO C=CC[C@H](C(=O)OC)[N@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC001559548845 938229165 /nfs/dbraw/zinc/22/91/65/938229165.db2.gz YZNNPANRBIDIGZ-JGGQBBKZSA-N 1 1 291.366 3.121 20 30 CGEDMO COc1ccc(C[C@H]2CC[N@H+]2Cc2ccc(C#N)s2)cc1 ZINC001559591948 938230465 /nfs/dbraw/zinc/23/04/65/938230465.db2.gz FTIGCWOOSNBFKU-CQSZACIVSA-N 1 1 298.411 3.445 20 30 CGEDMO C=CCCCC[N@@H+]1CCc2ccccc2[C@@H]1C(=O)OC ZINC001559632040 938231410 /nfs/dbraw/zinc/23/14/10/938231410.db2.gz YWNOVZRPIKQPRN-MRXNPFEDSA-N 1 1 273.376 3.115 20 30 CGEDMO C=CCCCC[N@H+]1CCc2ccccc2[C@@H]1C(=O)OC ZINC001559632040 938231411 /nfs/dbraw/zinc/23/14/11/938231411.db2.gz YWNOVZRPIKQPRN-MRXNPFEDSA-N 1 1 273.376 3.115 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](CC2([C@H]3CCCCO3)CCC2)C1 ZINC001559671350 938232566 /nfs/dbraw/zinc/23/25/66/938232566.db2.gz MSYBUEMIIODLOL-CVEARBPZSA-N 1 1 276.424 3.351 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)C[C@H]1CC[C@H](C2CC2)O1 ZINC001559688773 938232997 /nfs/dbraw/zinc/23/29/97/938232997.db2.gz CSKLXQNVFCAVHI-IAGOWNOFSA-N 1 1 275.392 3.268 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)C[C@@H](O)[C@@H](C)c1ccccc1 ZINC001559821702 938236644 /nfs/dbraw/zinc/23/66/44/938236644.db2.gz ZKXGVNNJSQZCQS-FXAWDEMLSA-N 1 1 293.410 3.286 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](CCCOc2c(C)cccc2C)C1 ZINC001559947007 938239687 /nfs/dbraw/zinc/23/96/87/938239687.db2.gz IETICPIFDJSUAS-QGZVFWFLSA-N 1 1 271.404 3.418 20 30 CGEDMO C=CCCCC[N@@H+]1C[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001560054206 938242939 /nfs/dbraw/zinc/24/29/39/938242939.db2.gz VMTDRIPRZOYWQA-UONOGXRCSA-N 1 1 282.428 3.330 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2[C@@H](C)c2ccccc2)C1=O ZINC001560163715 938245438 /nfs/dbraw/zinc/24/54/38/938245438.db2.gz YZWWFTUKNFQNIE-JQHSSLGASA-N 1 1 298.430 3.041 20 30 CGEDMO C=CCC[C@@H]1CCC[N@H+]1CC(=O)Nc1cccnc1Cl ZINC001560199811 938246735 /nfs/dbraw/zinc/24/67/35/938246735.db2.gz DOAGMLKXVZQLHB-GFCCVEGCSA-N 1 1 293.798 3.104 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1CC(=O)Nc1cccnc1Cl ZINC001560199811 938246736 /nfs/dbraw/zinc/24/67/36/938246736.db2.gz DOAGMLKXVZQLHB-GFCCVEGCSA-N 1 1 293.798 3.104 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1cc(C(=O)OC)ccc1F ZINC001560204298 938247006 /nfs/dbraw/zinc/24/70/06/938247006.db2.gz FYRUBMMLNRTDOP-UHFFFAOYSA-N 1 1 279.355 3.400 20 30 CGEDMO C#CCC[N@H+](CCOC)C[C@H](c1ccccc1)C(C)C ZINC001560946130 938285639 /nfs/dbraw/zinc/28/56/39/938285639.db2.gz PSKAMDLRTZHDRG-SFHVURJKSA-N 1 1 273.420 3.398 20 30 CGEDMO C#CCC[N@H+](CCOC)C[C@@H]1CCC[C@@H](CC)C1 ZINC001560945876 938285703 /nfs/dbraw/zinc/28/57/03/938285703.db2.gz MFXULUFNOIXEND-HZPDHXFCSA-N 1 1 251.414 3.175 20 30 CGEDMO Cc1cc(C[NH2+]Cc2c(O)cccc2F)ccc1C#N ZINC001561016302 938289606 /nfs/dbraw/zinc/28/96/06/938289606.db2.gz TVFMWYWINHOIBB-UHFFFAOYSA-N 1 1 270.307 3.001 20 30 CGEDMO C#CC[N@H+](C)C/C(C)=C\c1ccccc1OC(F)F ZINC001561032739 938290511 /nfs/dbraw/zinc/29/05/11/938290511.db2.gz PCIMUDOBQYLRKH-BENRWUELSA-N 1 1 265.303 3.256 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CCOCC1)c1nccc2ccccc21 ZINC001561044740 938291348 /nfs/dbraw/zinc/29/13/48/938291348.db2.gz MQNNBYKELYMQMR-CQSZACIVSA-N 1 1 295.386 3.206 20 30 CGEDMO C=CCCC[N@H+](CC)CCNC(=O)[C@@]1(C)CCC[C@@H]1C ZINC001480998159 957701522 /nfs/dbraw/zinc/70/15/22/957701522.db2.gz JDLNEDBJXCSHRW-RDJZCZTQSA-N 1 1 280.456 3.217 20 30 CGEDMO Cc1cc(C[NH2+]CCC#N)ccc1Oc1cccnc1 ZINC000426002277 957837198 /nfs/dbraw/zinc/83/71/98/957837198.db2.gz OJBGLCYNGJUJBS-UHFFFAOYSA-N 1 1 267.332 3.186 20 30 CGEDMO C=CCCCC(=O)N1CCC([C@H]2CCC[N@H+]2CC=C)CC1 ZINC001230591512 957848529 /nfs/dbraw/zinc/84/85/29/957848529.db2.gz ALAVTARPVAFUGE-QGZVFWFLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@H+](C)CCC1CCN(C(=O)C[C@@H](C)CC)CC1 ZINC001319877129 958794366 /nfs/dbraw/zinc/79/43/66/958794366.db2.gz XNWLHTMQHJFHSV-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)c1cccc(C)c1 ZINC001317437131 960432492 /nfs/dbraw/zinc/43/24/92/960432492.db2.gz MRJICWBEBCGWOP-OAHLLOKOSA-N 1 1 274.408 3.011 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H]2CC[C@@H](NC(C)=O)C[C@@H]2C1 ZINC001571011213 960458375 /nfs/dbraw/zinc/45/83/75/960458375.db2.gz XOWSNNQXCHLLTL-GVDBMIGSSA-N 1 1 280.456 3.193 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)CCC(C)C)[C@H]1C ZINC001571515542 960468364 /nfs/dbraw/zinc/46/83/64/960468364.db2.gz TWSOXBMUWUVZFA-HZPDHXFCSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)CCC ZINC001566748330 960574222 /nfs/dbraw/zinc/57/42/22/960574222.db2.gz BMDMYJKPWWDVME-ZACQAIPSSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCCC(=O)NC[C@H]1CCC[N@@H+]1CCC(C)(C)C ZINC001567373275 960595465 /nfs/dbraw/zinc/59/54/65/960595465.db2.gz FIUMSYGZKALKAE-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)CCC ZINC001565824507 960829477 /nfs/dbraw/zinc/82/94/77/960829477.db2.gz IZVBXTMUXHVJMY-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C2CC(C)(C)C2)[C@H]1CC ZINC001566012336 960865381 /nfs/dbraw/zinc/86/53/81/960865381.db2.gz SKFBQFWOHILFAG-JKSUJKDBSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)/C(C)=C\CC ZINC001565993590 960868852 /nfs/dbraw/zinc/86/88/52/960868852.db2.gz UCNSUMHIDNOILE-BOROGLOUSA-N 1 1 290.451 3.134 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@](C)(CC)CCC)[C@H]1C ZINC001566108116 960883993 /nfs/dbraw/zinc/88/39/93/960883993.db2.gz KPOYUXGPHSXETH-HLLBOEOZSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCCC[C@H]1C[N@H+](C)CCC ZINC001566122020 960898256 /nfs/dbraw/zinc/89/82/56/960898256.db2.gz GJXATUNSHOHWCX-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](C[C@H](F)CC)C2)CCCC1 ZINC001566684871 960987614 /nfs/dbraw/zinc/98/76/14/960987614.db2.gz YBILHUIGYODFPO-HUUCEWRRSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[N@H+](C[C@H](F)CC)C2)CCCC1 ZINC001566684871 960987630 /nfs/dbraw/zinc/98/76/30/960987630.db2.gz YBILHUIGYODFPO-HUUCEWRRSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)CC ZINC001566751696 961010201 /nfs/dbraw/zinc/01/02/01/961010201.db2.gz XDNBNIFREXKQAX-TWMKSMIVSA-N 1 1 292.467 3.453 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)CCC2CCC2)C1 ZINC001566870402 961036897 /nfs/dbraw/zinc/03/68/97/961036897.db2.gz ZETFLEUQTFHFQY-HNNXBMFYSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)CCC2CCC2)C1 ZINC001566870402 961036919 /nfs/dbraw/zinc/03/69/19/961036919.db2.gz ZETFLEUQTFHFQY-HNNXBMFYSA-N 1 1 298.858 3.147 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](CNC(=O)C2(CC)CCCCC2)C1 ZINC001566881328 961043422 /nfs/dbraw/zinc/04/34/22/961043422.db2.gz QAUDLMBOPYOKBW-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCCCC ZINC001566954782 961068728 /nfs/dbraw/zinc/06/87/28/961068728.db2.gz CVVJXCGFUZSWAM-SJORKVTESA-N 1 1 290.451 3.045 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001566963814 961071111 /nfs/dbraw/zinc/07/11/11/961071111.db2.gz ZSSQNJZBOLNNSH-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCCCC ZINC001566954779 961073859 /nfs/dbraw/zinc/07/38/59/961073859.db2.gz CVVJXCGFUZSWAM-DLBZAZTESA-N 1 1 290.451 3.045 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001566963263 961076588 /nfs/dbraw/zinc/07/65/88/961076588.db2.gz RVULMFHFAYRHDW-GOEBONIOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)/C(C)=C\CC)C1 ZINC001567188541 961128156 /nfs/dbraw/zinc/12/81/56/961128156.db2.gz PDGLDVJZCYBKDZ-YRBHFNIASA-N 1 1 284.831 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)/C(C)=C\CC)C1 ZINC001567188541 961128163 /nfs/dbraw/zinc/12/81/63/961128163.db2.gz PDGLDVJZCYBKDZ-YRBHFNIASA-N 1 1 284.831 3.018 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]([N@H+](C)CC(CC)CC)C1 ZINC001567188673 961128353 /nfs/dbraw/zinc/12/83/53/961128353.db2.gz RRLBXMJUIUCWIE-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)c2ccsc2C)C1 ZINC001567192279 961133475 /nfs/dbraw/zinc/13/34/75/961133475.db2.gz WJFDCXNKLVIITD-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)C1(C)CC=CC1 ZINC001567262297 961156730 /nfs/dbraw/zinc/15/67/30/961156730.db2.gz ZGOIGKIQWCPXKT-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)CC(C)(C)C2CC2)C1 ZINC001567398820 961316170 /nfs/dbraw/zinc/31/61/70/961316170.db2.gz INDDAHXGTJXUDL-ZDUSSCGKSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)CC(C)(C)C2CC2)C1 ZINC001567398820 961316190 /nfs/dbraw/zinc/31/61/90/961316190.db2.gz INDDAHXGTJXUDL-ZDUSSCGKSA-N 1 1 298.858 3.003 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](CNC(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001567415829 961320205 /nfs/dbraw/zinc/32/02/05/961320205.db2.gz OVSJIYQTXOKSCV-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC001567395973 961327756 /nfs/dbraw/zinc/32/77/56/961327756.db2.gz UJQJETCYSHFZMC-MAUKXSAKSA-N 1 1 298.430 3.078 20 30 CGEDMO C=CCC[N@@H+](CCC)CCNC(=O)c1ccc2[nH]ccc2c1 ZINC001567429661 961335302 /nfs/dbraw/zinc/33/53/02/961335302.db2.gz XPRXPJWKPCURDO-UHFFFAOYSA-N 1 1 299.418 3.186 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]([NH2+]CCF)c1ccccc1 ZINC001567660135 961379335 /nfs/dbraw/zinc/37/93/35/961379335.db2.gz UFVKQRVZMGHOKH-OAHLLOKOSA-N 1 1 292.398 3.005 20 30 CGEDMO C=CCCC(=O)N(CCC)[C@@H]1CC[N@@H+](C[C@H](C)CC)C1 ZINC001567682320 961396763 /nfs/dbraw/zinc/39/67/63/961396763.db2.gz ZAJGEXLWXUKNOD-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](CCNC(=O)C2(CCC)CCC2)C1 ZINC001567706516 961406811 /nfs/dbraw/zinc/40/68/11/961406811.db2.gz ZKRDPQBNEFRMBH-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001567706589 961407317 /nfs/dbraw/zinc/40/73/17/961407317.db2.gz WQLQYOCPTILIFH-ARFHVFGLSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CCNC(=O)c2cc(C)cs2)C1 ZINC001567698620 961407854 /nfs/dbraw/zinc/40/78/54/961407854.db2.gz WBCYRERFOVTQSC-AWEZNQCLSA-N 1 1 292.448 3.074 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CC1CCN(C(=O)CCCF)CC1 ZINC001567749512 961418823 /nfs/dbraw/zinc/41/88/23/961418823.db2.gz FLPUFTBYVCLEGZ-OAHLLOKOSA-N 1 1 298.446 3.261 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CC=C(C)C)C1 ZINC001567766807 961422035 /nfs/dbraw/zinc/42/20/35/961422035.db2.gz JBOJHHJSYADXHT-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@H+](C)CC1CCN(C(=O)C[C@@H]2CC=CCC2)CC1 ZINC001567749859 961423871 /nfs/dbraw/zinc/42/38/71/961423871.db2.gz SBLGDVHBOJTYBO-MRXNPFEDSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)C/C=C(\C)C=C)C1 ZINC001567764975 961425073 /nfs/dbraw/zinc/42/50/73/961425073.db2.gz BGRYWGNLRQSRAL-OSGGRZCESA-N 1 1 290.451 3.444 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)C/C=C(\C)C=C)C1 ZINC001567764973 961429115 /nfs/dbraw/zinc/42/91/15/961429115.db2.gz BGRYWGNLRQSRAL-HPKIFAADSA-N 1 1 290.451 3.444 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001567812050 961430790 /nfs/dbraw/zinc/43/07/90/961430790.db2.gz WJWHHXFECFXNMC-INIZCTEOSA-N 1 1 292.467 3.338 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC(C)C ZINC001567850251 961443457 /nfs/dbraw/zinc/44/34/57/961443457.db2.gz BBAMYEWBSTVOMR-IRXDYDNUSA-N 1 1 292.467 3.454 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H](C)C(CC)CC)C1 ZINC001567938596 961461111 /nfs/dbraw/zinc/46/11/11/961461111.db2.gz IWMKEAAMJGPNPZ-DOTOQJQBSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)CCCCCC)C1 ZINC001567927535 961464960 /nfs/dbraw/zinc/46/49/60/961464960.db2.gz OFUXFIRUCRTBAT-MRXNPFEDSA-N 1 1 280.456 3.456 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)C1(CCC)CCC1 ZINC001568494087 961591791 /nfs/dbraw/zinc/59/17/91/961591791.db2.gz OXDIGHZJANLMOF-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCCC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2Cc2ccccc2)C1 ZINC001568509371 961607514 /nfs/dbraw/zinc/60/75/14/961607514.db2.gz SHDJEGYHCNTZRK-QZTJIDSGSA-N 1 1 298.430 3.076 20 30 CGEDMO C=CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC001569122274 961695094 /nfs/dbraw/zinc/69/50/94/961695094.db2.gz ZEFHWBGRONNCAX-XIRDDKMYSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)C1(CCC)CCC1 ZINC001569133073 961695664 /nfs/dbraw/zinc/69/56/64/961695664.db2.gz OXLMNFDTSNFUEO-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CCC(=O)N(C)C1C[NH+](CC/C=C/CCC)C1 ZINC001569492252 961773290 /nfs/dbraw/zinc/77/32/90/961773290.db2.gz PRTSBHKNGFFGCP-BQYQJAHWSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)c2ccoc2C)C1 ZINC001569628569 961809384 /nfs/dbraw/zinc/80/93/84/961809384.db2.gz QNFMSNXAJCJBSZ-SUMWQHHRSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@](C)(CNC(=O)CCCF)C1 ZINC001569718853 961830333 /nfs/dbraw/zinc/83/03/33/961830333.db2.gz BCGLSXNPYREVKI-DOTOQJQBSA-N 1 1 298.446 3.309 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@]1(C)CCC[N@H+](C[C@H](F)CC)C1 ZINC001569719182 961835249 /nfs/dbraw/zinc/83/52/49/961835249.db2.gz DAJWTWSVXSPALJ-PBHICJAKSA-N 1 1 298.446 3.165 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC ZINC001569909259 961866945 /nfs/dbraw/zinc/86/69/45/961866945.db2.gz BSAMDMAMKUZGLB-HUUCEWRRSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H](C)CC ZINC001569906256 961868277 /nfs/dbraw/zinc/86/82/77/961868277.db2.gz JCFMCJBUNNUTEC-BZUAXINKSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1(CCC)CC1 ZINC001569912812 961875349 /nfs/dbraw/zinc/87/53/49/961875349.db2.gz KCDVEZUZWQUZQR-HOTGVXAUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@H+](C)Cc1ccccc1CNC(=O)c1occc1C ZINC001570025431 961889913 /nfs/dbraw/zinc/88/99/13/961889913.db2.gz GKECPNXWSMTDKE-UHFFFAOYSA-N 1 1 298.386 3.136 20 30 CGEDMO C=CC[N@@H+]1CCc2c(CNC(=O)/C(C)=C\CC)cccc2C1 ZINC001570077816 961900385 /nfs/dbraw/zinc/90/03/85/961900385.db2.gz ABQFJFOFAYVYHS-CHHVJCJISA-N 1 1 298.430 3.203 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)CCCC)CC1 ZINC001570175559 961911018 /nfs/dbraw/zinc/91/10/18/961911018.db2.gz XDUPBCFZHPLQFE-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)CC2(C)CC2)CC1 ZINC001570179451 961915578 /nfs/dbraw/zinc/91/55/78/961915578.db2.gz ODSBLRSYUXECRD-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CCC[N@H+](CC[C@H](C)F)CC1 ZINC001570177382 961916956 /nfs/dbraw/zinc/91/69/56/961916956.db2.gz KYBNPNURUYEJED-GJZGRUSLSA-N 1 1 284.419 3.062 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C/C=C(/C)C=C)CC1 ZINC001570182306 961924658 /nfs/dbraw/zinc/92/46/58/961924658.db2.gz ZTVASDMDBNVVPP-LPPOOGIUSA-N 1 1 290.451 3.446 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)c1cccc(C)c1F ZINC001570197977 961925920 /nfs/dbraw/zinc/92/59/20/961925920.db2.gz YPCDAYCUPKWJKV-UHFFFAOYSA-N 1 1 292.398 3.104 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001570205904 961927106 /nfs/dbraw/zinc/92/71/06/961927106.db2.gz BBCDNPBCZZOTKW-NCOADZHNSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCC[N@H+](CC)CC1CCN(C(=O)[C@H]2C[C@@H]2C)CC1 ZINC001570502497 961979033 /nfs/dbraw/zinc/97/90/33/961979033.db2.gz BVCFYYVFXBLGCK-RDJZCZTQSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@@H](C)CC ZINC001570528490 961989455 /nfs/dbraw/zinc/98/94/55/961989455.db2.gz UJIBFIOZUXTZGT-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO CCCCCCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C)C#N ZINC001570525658 961990317 /nfs/dbraw/zinc/99/03/17/961990317.db2.gz GUNCTNGSFNUNPB-JKSUJKDBSA-N 1 1 293.455 3.039 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C)C1CCCC1 ZINC001570544151 962001778 /nfs/dbraw/zinc/00/17/78/962001778.db2.gz RKGCEJGNDOVAID-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC(=O)NC[C@@H](C)[N@@H+](C)[C@@H](C)c1ccccc1C ZINC001570700993 962044297 /nfs/dbraw/zinc/04/42/97/962044297.db2.gz ZRQZCTXSJOQZIN-CVEARBPZSA-N 1 1 288.435 3.459 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)C1(CC)CCCC1 ZINC001570744634 962072982 /nfs/dbraw/zinc/07/29/82/962072982.db2.gz VVRYKPSAAGYQRB-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)C2(CC(C)C)CCC2)CC1 ZINC001571332701 962137376 /nfs/dbraw/zinc/13/73/76/962137376.db2.gz PECLAZWUDWHYKQ-UHFFFAOYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)CC(C)=C(C)C)CCC[C@@H]12 ZINC001571503817 962167651 /nfs/dbraw/zinc/16/76/51/962167651.db2.gz WIQWHKSZNGWAPU-NVXWUHKLSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCCC(=O)N[C@]12CCC[C@@H]1[N@@H+](CC/C=C\CC)CC2 ZINC001571497572 962169063 /nfs/dbraw/zinc/16/90/63/962169063.db2.gz SBYVRMZHILWFEW-AKKGJHILSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)CCC(=C)C)CCC[C@@H]12 ZINC001571500193 962169774 /nfs/dbraw/zinc/16/97/74/962169774.db2.gz ATFJQWRVOIORLS-WBVHZDCISA-N 1 1 276.424 3.032 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)[C@H]1C[C@@]1(C)C(C)C)C(C)C ZINC001571615318 962185098 /nfs/dbraw/zinc/18/50/98/962185098.db2.gz NFJBCHWGQNOBIU-WBVHZDCISA-N 1 1 280.456 3.023 20 30 CGEDMO C=C[C@H](CC)CC(=O)NCC1=CC[N@@H+](CC[C@H](C)F)CC1 ZINC001571693203 962208667 /nfs/dbraw/zinc/20/86/67/962208667.db2.gz QCYRUTPOPRATOV-LSDHHAIUSA-N 1 1 296.430 3.085 20 30 CGEDMO C#CC[C@@]1(C(=O)Oc2ccc(CCCC)cc2)CCC[NH2+]1 ZINC001574524933 962310624 /nfs/dbraw/zinc/31/06/24/962310624.db2.gz ANAGDDACKKJPGZ-SFHVURJKSA-N 1 1 285.387 3.080 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@@H]2CCN[C@H](c3ccccc3)C2)s1 ZINC001580065814 962687776 /nfs/dbraw/zinc/68/77/76/962687776.db2.gz TWDONGHFUPPEJO-PBHICJAKSA-N 1 1 297.427 3.203 20 30 CGEDMO CCC(CC)CN(CCC#N)C(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC001585341709 963001736 /nfs/dbraw/zinc/00/17/36/963001736.db2.gz CKHUGWCYORKIHV-HNNXBMFYSA-N 1 1 293.455 3.038 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000589742332 346810508 /nfs/dbraw/zinc/81/05/08/346810508.db2.gz ICQQDSYKWOKXAK-ULQDDVLXSA-N 1 1 254.377 3.416 20 30 CGEDMO CCn1nccc1C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000350661451 219045124 /nfs/dbraw/zinc/04/51/24/219045124.db2.gz PXWJCNFZOPTQGV-UHFFFAOYSA-N 1 1 296.418 3.433 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1ccnn1CCc1ccccc1 ZINC000621721436 349565846 /nfs/dbraw/zinc/56/58/46/349565846.db2.gz OPSOWRBXNLFGJX-UHFFFAOYSA-N 1 1 269.392 3.134 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccnn1CCc1ccccc1 ZINC000621721436 349565848 /nfs/dbraw/zinc/56/58/48/349565848.db2.gz OPSOWRBXNLFGJX-UHFFFAOYSA-N 1 1 269.392 3.134 20 30 CGEDMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000590971627 346892362 /nfs/dbraw/zinc/89/23/62/346892362.db2.gz ANQMRPQXYBHCSO-ZDUSSCGKSA-N 1 1 283.350 3.155 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](C3CCC3)C2)c1 ZINC000591061656 346897349 /nfs/dbraw/zinc/89/73/49/346897349.db2.gz CBUHDBPZWFHQQV-CQSZACIVSA-N 1 1 258.340 3.319 20 30 CGEDMO C=C(C)CC[N@H+]1CCc2nccc(Br)c2C1 ZINC000623287255 349776216 /nfs/dbraw/zinc/77/62/16/349776216.db2.gz WCPVTNSRVZLIKO-UHFFFAOYSA-N 1 1 281.197 3.168 20 30 CGEDMO CC(C)c1ccc([C@@H](C)[N@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592151318 346967545 /nfs/dbraw/zinc/96/75/45/346967545.db2.gz LNVKWHYBJNVZIM-PBHICJAKSA-N 1 1 272.392 3.221 20 30 CGEDMO N#CCCC[C@@H]([NH2+]Cc1ccncc1C#N)c1ccccc1 ZINC000592122215 346964829 /nfs/dbraw/zinc/96/48/29/346964829.db2.gz ICVJMZAJJKJFCD-GOSISDBHSA-N 1 1 290.370 3.478 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCC[C@@H]1CCOC1 ZINC000592126528 346965044 /nfs/dbraw/zinc/96/50/44/346965044.db2.gz WWRFBYZFMPDWTD-HUUCEWRRSA-N 1 1 272.392 3.368 20 30 CGEDMO CC(C)O[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000592133312 346965614 /nfs/dbraw/zinc/96/56/14/346965614.db2.gz OXMCYETVQMTEKR-QGZVFWFLSA-N 1 1 286.419 3.487 20 30 CGEDMO CC[N@H+](CC#Cc1cccc(Cl)c1)CCSC ZINC000592203153 346972052 /nfs/dbraw/zinc/97/20/52/346972052.db2.gz JYJGSFSCFRCLGH-UHFFFAOYSA-N 1 1 267.825 3.376 20 30 CGEDMO C[N@H+](CCC#N)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000347480049 529869899 /nfs/dbraw/zinc/86/98/99/529869899.db2.gz SGFVTXXTYGGSTR-GJZGRUSLSA-N 1 1 258.365 3.078 20 30 CGEDMO C[N@@H+](CCC#N)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000347480049 529869900 /nfs/dbraw/zinc/86/99/00/529869900.db2.gz SGFVTXXTYGGSTR-GJZGRUSLSA-N 1 1 258.365 3.078 20 30 CGEDMO C[C@@H]1CC2(C[N@H+]1Cc1ccc(C#N)s1)CCOCC2 ZINC000592526014 346997009 /nfs/dbraw/zinc/99/70/09/346997009.db2.gz FGVZPTFTPJVZOA-GFCCVEGCSA-N 1 1 276.405 3.011 20 30 CGEDMO C=C(C)CN(CC)c1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000623843048 349893666 /nfs/dbraw/zinc/89/36/66/349893666.db2.gz AXXUOFDPVABUDY-UHFFFAOYSA-N 1 1 294.402 3.399 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000593035448 347030293 /nfs/dbraw/zinc/03/02/93/347030293.db2.gz MFHYLPKZUQEGGZ-VXGBXAGGSA-N 1 1 273.336 3.087 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccncc2C#N)CCc2ccc(F)cc21 ZINC000593114513 347041313 /nfs/dbraw/zinc/04/13/13/347041313.db2.gz AIJNECAYBVJQTE-CYBMUJFWSA-N 1 1 295.361 3.254 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccncc2C#N)CCc2ccc(F)cc21 ZINC000593114513 347041315 /nfs/dbraw/zinc/04/13/15/347041315.db2.gz AIJNECAYBVJQTE-CYBMUJFWSA-N 1 1 295.361 3.254 20 30 CGEDMO CCCC[N@@H+](CC)CCC(=O)Nc1sccc1C#N ZINC000027272825 344909408 /nfs/dbraw/zinc/90/94/08/344909408.db2.gz FXAMLBBWRFCSSK-UHFFFAOYSA-N 1 1 279.409 3.070 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)cc1F ZINC000043626382 345002497 /nfs/dbraw/zinc/00/24/97/345002497.db2.gz QBUCEKOFMULRIA-UHFFFAOYSA-N 1 1 272.298 3.468 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)cc1F ZINC000043626382 345002501 /nfs/dbraw/zinc/00/25/01/345002501.db2.gz QBUCEKOFMULRIA-UHFFFAOYSA-N 1 1 272.298 3.468 20 30 CGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)CC1CCCCC1 ZINC000043999926 345005278 /nfs/dbraw/zinc/00/52/78/345005278.db2.gz KWVFZKJVUGNRTQ-CQSZACIVSA-N 1 1 299.418 3.397 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000053422330 345119972 /nfs/dbraw/zinc/11/99/72/345119972.db2.gz JVBHXSSJLXCDBD-CQSZACIVSA-N 1 1 290.382 3.019 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000053422330 345119976 /nfs/dbraw/zinc/11/99/76/345119976.db2.gz JVBHXSSJLXCDBD-CQSZACIVSA-N 1 1 290.382 3.019 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@H](C)c1cccs1 ZINC000053429650 345120890 /nfs/dbraw/zinc/12/08/90/345120890.db2.gz WBVBWUVXVGSXCI-CYBMUJFWSA-N 1 1 280.437 3.166 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H](C)c1cccs1 ZINC000053429650 345120892 /nfs/dbraw/zinc/12/08/92/345120892.db2.gz WBVBWUVXVGSXCI-CYBMUJFWSA-N 1 1 280.437 3.166 20 30 CGEDMO CC(C)=CC[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000055172256 345144031 /nfs/dbraw/zinc/14/40/31/345144031.db2.gz AATFUPLFNWNIEH-UHFFFAOYSA-N 1 1 283.419 3.032 20 30 CGEDMO CC(C)=CCN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000055172256 345144032 /nfs/dbraw/zinc/14/40/32/345144032.db2.gz AATFUPLFNWNIEH-UHFFFAOYSA-N 1 1 283.419 3.032 20 30 CGEDMO CC(C)=CCN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000055172256 345144035 /nfs/dbraw/zinc/14/40/35/345144035.db2.gz AATFUPLFNWNIEH-UHFFFAOYSA-N 1 1 283.419 3.032 20 30 CGEDMO N#Cc1ccc(N[C@H]2CC[N@H+](C3CC3)C2)c(C(F)(F)F)c1 ZINC000061981235 345236445 /nfs/dbraw/zinc/23/64/45/345236445.db2.gz LHSCUAIYLAMNNR-NSHDSACASA-N 1 1 295.308 3.226 20 30 CGEDMO C[C@@H](C#N)C[N@H+](C)CCCOc1cccc(Cl)c1 ZINC000067387579 345320720 /nfs/dbraw/zinc/32/07/20/345320720.db2.gz IGYNFEUTJBYUSQ-LBPRGKRZSA-N 1 1 266.772 3.200 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C)CCCOc1cccc(Cl)c1 ZINC000067387579 345320723 /nfs/dbraw/zinc/32/07/23/345320723.db2.gz IGYNFEUTJBYUSQ-LBPRGKRZSA-N 1 1 266.772 3.200 20 30 CGEDMO Cc1[nH+]ccn1CCCNc1cc(C#N)nc2ccccc21 ZINC000078333208 345600562 /nfs/dbraw/zinc/60/05/62/345600562.db2.gz OXOXJGZTKBSQOH-UHFFFAOYSA-N 1 1 291.358 3.114 20 30 CGEDMO CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CCCC#N ZINC000084131834 345729625 /nfs/dbraw/zinc/72/96/25/345729625.db2.gz LLXJGJYHQWOKBT-INIZCTEOSA-N 1 1 282.391 3.497 20 30 CGEDMO CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCCC#N ZINC000084131834 345729627 /nfs/dbraw/zinc/72/96/27/345729627.db2.gz LLXJGJYHQWOKBT-INIZCTEOSA-N 1 1 282.391 3.497 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000084116721 345729713 /nfs/dbraw/zinc/72/97/13/345729713.db2.gz YTBTXQFNPXLVTF-HNNXBMFYSA-N 1 1 255.365 3.286 20 30 CGEDMO C=CCCC[C@@H](C)[N@@H+](C)Cc1nccn1C(F)F ZINC000091508409 345817214 /nfs/dbraw/zinc/81/72/14/345817214.db2.gz CDPBVVVOANBSOB-LLVKDONJSA-N 1 1 257.328 3.455 20 30 CGEDMO CCc1nn(C)cc1C[NH2+][C@H](CCC#N)c1ccccc1 ZINC000092414718 345838864 /nfs/dbraw/zinc/83/88/64/345838864.db2.gz XNAIIOGNFHVYRO-QGZVFWFLSA-N 1 1 282.391 3.117 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)[C@H](CO)C(C)(C)C)cc1 ZINC000093821725 345887972 /nfs/dbraw/zinc/88/79/72/345887972.db2.gz KABHOYQCXWZHAO-MRXNPFEDSA-N 1 1 277.408 3.090 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](COCC)C2)cc1 ZINC000093838625 345889242 /nfs/dbraw/zinc/88/92/42/345889242.db2.gz DCLVZQHAFMREPL-INIZCTEOSA-N 1 1 275.392 3.110 20 30 CGEDMO CC(C)(CCC#N)C[N@@H+](CCCO)Cc1ccccc1 ZINC000093102251 345869140 /nfs/dbraw/zinc/86/91/40/345869140.db2.gz QAPQPMJHVYMLFJ-UHFFFAOYSA-N 1 1 274.408 3.201 20 30 CGEDMO N#CCC[N@@H+](CC1CC1)C[C@H]1C[C@@H]1c1ccccc1 ZINC000093091412 345869270 /nfs/dbraw/zinc/86/92/70/345869270.db2.gz LCJQSUZGAVFNKY-IAGOWNOFSA-N 1 1 254.377 3.416 20 30 CGEDMO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)C[N@H+]1CCCCC#N ZINC000093258898 345873620 /nfs/dbraw/zinc/87/36/20/345873620.db2.gz DUBRQIKSOXTHKX-KGLIPLIRSA-N 1 1 295.427 3.010 20 30 CGEDMO C=CC1CC[NH+](Cc2csc(CCC)n2)CC1 ZINC000111693289 345950753 /nfs/dbraw/zinc/95/07/53/345950753.db2.gz LANUIUOLAXXOCG-UHFFFAOYSA-N 1 1 250.411 3.494 20 30 CGEDMO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(OC(F)F)cc1 ZINC000125807677 346020272 /nfs/dbraw/zinc/02/02/72/346020272.db2.gz PQYFIIFDYJQKDG-VXGBXAGGSA-N 1 1 293.317 3.382 20 30 CGEDMO CCCCCCCCC(=O)NCCn1cc[nH+]c1C ZINC000138991229 346098614 /nfs/dbraw/zinc/09/86/14/346098614.db2.gz UPCGJJWWKKOSCO-UHFFFAOYSA-N 1 1 265.401 3.058 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000177547215 232370276 /nfs/dbraw/zinc/37/02/76/232370276.db2.gz NJPLFUAWVQRCQT-BETUJISGSA-N 1 1 258.340 3.319 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1cc(C(=O)OC)co1 ZINC000171035114 346201007 /nfs/dbraw/zinc/20/10/07/346201007.db2.gz JOJOIDSCHXMMJZ-UHFFFAOYSA-N 1 1 299.370 3.297 20 30 CGEDMO N#Cc1ccc(-c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000205591653 346283234 /nfs/dbraw/zinc/28/32/34/346283234.db2.gz VLYVCGAVJMELCL-UHFFFAOYSA-N 1 1 278.355 3.057 20 30 CGEDMO COc1cc(C[N@@H+](C)Cc2ccsc2)ccc1C#N ZINC000234931989 346333630 /nfs/dbraw/zinc/33/36/30/346333630.db2.gz MCEVVGAEIXMVIK-UHFFFAOYSA-N 1 1 272.373 3.260 20 30 CGEDMO C[C@H]1C[C@@H](Nc2cccc(C#N)n2)C[N@H+]1Cc1ccccc1 ZINC000339217344 215018711 /nfs/dbraw/zinc/01/87/11/215018711.db2.gz LBMBXGQREKICFQ-WMLDXEAASA-N 1 1 292.386 3.028 20 30 CGEDMO CC(C)CO[C@H]1CC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000253158786 346393670 /nfs/dbraw/zinc/39/36/70/346393670.db2.gz QNKLDVSKAOBOCN-PBHICJAKSA-N 1 1 272.392 3.366 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCO[C@@H](CCc3ccccc3)C2)C1 ZINC000278642985 346415976 /nfs/dbraw/zinc/41/59/76/346415976.db2.gz PFBLPKZGUVXJRE-KURKYZTESA-N 1 1 284.403 3.012 20 30 CGEDMO C[N@@H+](CCCOc1ccccc1)[C@H]1CC[C@@H](C#N)C1 ZINC000278643043 346416037 /nfs/dbraw/zinc/41/60/37/346416037.db2.gz PGDLCQUFTBZHGH-CABCVRRESA-N 1 1 258.365 3.080 20 30 CGEDMO N#Cc1cnc2ccccc2c1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000314785713 346482715 /nfs/dbraw/zinc/48/27/15/346482715.db2.gz YRVVZBDQRWYEHW-ZDUSSCGKSA-N 1 1 292.386 3.003 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCCNc1ncc(C#N)cc1Cl ZINC000339227748 215026304 /nfs/dbraw/zinc/02/63/04/215026304.db2.gz CMEZELGGSBZJMM-LBPRGKRZSA-N 1 1 292.814 3.283 20 30 CGEDMO C[N@H+]1CCCC12CCN(CCCCC(C)(C)C#N)CC2 ZINC000365625552 346548594 /nfs/dbraw/zinc/54/85/94/346548594.db2.gz MGELZUMEAZOBEX-UHFFFAOYSA-N 1 1 277.456 3.267 20 30 CGEDMO C[N@@H+](CC1(CC#N)CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388364505 346570121 /nfs/dbraw/zinc/57/01/21/346570121.db2.gz MIDGUJCYVBEMTK-GOSISDBHSA-N 1 1 297.446 3.277 20 30 CGEDMO CN(CC1(CC#N)CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388364505 346570132 /nfs/dbraw/zinc/57/01/32/346570132.db2.gz MIDGUJCYVBEMTK-GOSISDBHSA-N 1 1 297.446 3.277 20 30 CGEDMO CN(CC1(CC#N)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388364505 346570134 /nfs/dbraw/zinc/57/01/34/346570134.db2.gz MIDGUJCYVBEMTK-GOSISDBHSA-N 1 1 297.446 3.277 20 30 CGEDMO Cc1c(C[N@H+]2CCC[C@H](CC#N)C2)cccc1[N+](=O)[O-] ZINC000397681749 346584025 /nfs/dbraw/zinc/58/40/25/346584025.db2.gz MCFLIWADILFBRX-CYBMUJFWSA-N 1 1 273.336 3.029 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000397793756 346584903 /nfs/dbraw/zinc/58/49/03/346584903.db2.gz DICBCWGPCZQFQB-AWEZNQCLSA-N 1 1 265.360 3.360 20 30 CGEDMO N#CCCC1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC000399362278 346587474 /nfs/dbraw/zinc/58/74/74/346587474.db2.gz GVAOJVPUVLJPQN-UHFFFAOYSA-N 1 1 264.319 3.481 20 30 CGEDMO CC[N@@H+](CCCCC(C)(C)C#N)[C@@H]1CCCOC1 ZINC000402852615 346595898 /nfs/dbraw/zinc/59/58/98/346595898.db2.gz UABXUTGPTYFLIJ-CQSZACIVSA-N 1 1 252.402 3.207 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403718054 346597687 /nfs/dbraw/zinc/59/76/87/346597687.db2.gz ZCWIKTQGDVTHIK-ZACQAIPSSA-N 1 1 254.377 3.426 20 30 CGEDMO CC[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)[C@H](C)CO1 ZINC000404015611 346598954 /nfs/dbraw/zinc/59/89/54/346598954.db2.gz WKUKSOQALNSBOI-ZIAGYGMSSA-N 1 1 252.402 3.206 20 30 CGEDMO C=CC[C@@H](C)NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000584788304 346714908 /nfs/dbraw/zinc/71/49/08/346714908.db2.gz LDNRRVQQIWNWBZ-RISCZKNCSA-N 1 1 280.799 3.024 20 30 CGEDMO N#Cc1ccncc1NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000584817489 346716484 /nfs/dbraw/zinc/71/64/84/346716484.db2.gz XKBBNNAPCHAJMC-MRXNPFEDSA-N 1 1 284.407 3.162 20 30 CGEDMO CCc1ccc(-c2noc([C@@H]([NH3+])CCCCC#N)n2)cc1 ZINC000593944043 347120767 /nfs/dbraw/zinc/12/07/67/347120767.db2.gz RIMCSVVFBLCOMX-AWEZNQCLSA-N 1 1 284.363 3.383 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]C[C@H](OC)c1ccc(Cl)cc1 ZINC000594006544 347135645 /nfs/dbraw/zinc/13/56/45/347135645.db2.gz FZLFEKIPWQJCGS-KBPBESRZSA-N 1 1 266.772 3.309 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2C2CCC2)nc1 ZINC000594016464 347138595 /nfs/dbraw/zinc/13/85/95/347138595.db2.gz XTTGNQDUXTZOGO-MRXNPFEDSA-N 1 1 255.365 3.108 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCCC#N)CC2(CCCCC2)O1 ZINC000594057637 347146706 /nfs/dbraw/zinc/14/67/06/347146706.db2.gz JZSITQVYOBBJHQ-CQSZACIVSA-N 1 1 250.386 3.104 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CC2(CCCCC2)O1 ZINC000594057582 347146733 /nfs/dbraw/zinc/14/67/33/347146733.db2.gz IEQVACBOXPZIHA-OAHLLOKOSA-N 1 1 284.403 3.482 20 30 CGEDMO CC(C)[N@@H+]1CC[C@@H](CNCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594496112 347178598 /nfs/dbraw/zinc/17/85/98/347178598.db2.gz HHAVRRYBTHIZTD-KRWDZBQOSA-N 1 1 299.462 3.308 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](CNCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594496112 347178599 /nfs/dbraw/zinc/17/85/99/347178599.db2.gz HHAVRRYBTHIZTD-KRWDZBQOSA-N 1 1 299.462 3.308 20 30 CGEDMO N#Cc1ccc(C2(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CCC2)cc1 ZINC000594517218 347186399 /nfs/dbraw/zinc/18/63/99/347186399.db2.gz IHJLMYJJLISFPQ-ZWKOTPCHSA-N 1 1 295.430 3.154 20 30 CGEDMO N#Cc1ccc(C2(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)CCC2)cc1 ZINC000594517218 347186402 /nfs/dbraw/zinc/18/64/02/347186402.db2.gz IHJLMYJJLISFPQ-ZWKOTPCHSA-N 1 1 295.430 3.154 20 30 CGEDMO C[C@H]1CCCC[N@@H+]1CCNCc1ccc(C2(C#N)CC2)cc1 ZINC000594925188 347230782 /nfs/dbraw/zinc/23/07/82/347230782.db2.gz MIQXXPVWGFTDAL-INIZCTEOSA-N 1 1 297.446 3.206 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCNCc1ccc(C2(C#N)CC2)cc1 ZINC000594925188 347230785 /nfs/dbraw/zinc/23/07/85/347230785.db2.gz MIQXXPVWGFTDAL-INIZCTEOSA-N 1 1 297.446 3.206 20 30 CGEDMO CCC[N@@H+](C)CC(C)(C)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594999453 347253167 /nfs/dbraw/zinc/25/31/67/347253167.db2.gz ADCMXKIZXRGDIM-UHFFFAOYSA-N 1 1 299.462 3.452 20 30 CGEDMO CCCN(C)CC(C)(C)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594999453 347253169 /nfs/dbraw/zinc/25/31/69/347253169.db2.gz ADCMXKIZXRGDIM-UHFFFAOYSA-N 1 1 299.462 3.452 20 30 CGEDMO CC[C@@H]([NH2+][C@@H](C)c1nccn1C)c1ccc(C#N)cc1 ZINC000595109098 347285022 /nfs/dbraw/zinc/28/50/22/347285022.db2.gz SYZJCHMSNMUEGE-SWLSCSKDSA-N 1 1 268.364 3.094 20 30 CGEDMO CC[N@@H+](C[C@@H](C)C#N)C[C@H](OC)C1CCCCC1 ZINC000595307605 347289847 /nfs/dbraw/zinc/28/98/47/347289847.db2.gz WSXQHKVHLPPONC-ZFWWWQNUSA-N 1 1 252.402 3.063 20 30 CGEDMO CC[N@@H+](C[C@@H](C)C#N)C[C@@H](OC)C1CCCCC1 ZINC000595307602 347290388 /nfs/dbraw/zinc/29/03/88/347290388.db2.gz WSXQHKVHLPPONC-DZGCQCFKSA-N 1 1 252.402 3.063 20 30 CGEDMO N#Cc1ccc(CC[N@@H+]2CCc3ccc(F)cc3C2)cc1 ZINC000595382409 347297464 /nfs/dbraw/zinc/29/74/64/347297464.db2.gz HNTOGDYCEPPINF-UHFFFAOYSA-N 1 1 280.346 3.298 20 30 CGEDMO C[C@@H](N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc(C#N)c1 ZINC000595057234 347272393 /nfs/dbraw/zinc/27/23/93/347272393.db2.gz VOLXKKMDVWCSJD-CJNGLKHVSA-N 1 1 271.408 3.082 20 30 CGEDMO C[C@@H](N[C@H]1CC[N@H+](C(C)(C)C)C1)c1cccc(C#N)c1 ZINC000595057234 347272394 /nfs/dbraw/zinc/27/23/94/347272394.db2.gz VOLXKKMDVWCSJD-CJNGLKHVSA-N 1 1 271.408 3.082 20 30 CGEDMO CC[C@H](CSC)[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595420341 347300818 /nfs/dbraw/zinc/30/08/18/347300818.db2.gz HFSBHDHBIAWCJO-OAHLLOKOSA-N 1 1 262.422 3.174 20 30 CGEDMO Cc1ccc(C[NH+]2CCN(c3ccsc3C#N)CC2)cc1 ZINC000595631552 347330345 /nfs/dbraw/zinc/33/03/45/347330345.db2.gz DFKSUHCRXIZGQT-UHFFFAOYSA-N 1 1 297.427 3.250 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2csc(C(=O)OCC)n2)C1 ZINC000595657696 347334410 /nfs/dbraw/zinc/33/44/10/347334410.db2.gz AKLJIFZERYTBFN-LBPRGKRZSA-N 1 1 294.420 3.108 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2csc(C(=O)OCC)n2)C1 ZINC000595657696 347334413 /nfs/dbraw/zinc/33/44/13/347334413.db2.gz AKLJIFZERYTBFN-LBPRGKRZSA-N 1 1 294.420 3.108 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2ccc(C(=O)OC)s2)C1 ZINC000595661388 347335185 /nfs/dbraw/zinc/33/51/85/347335185.db2.gz ZXILODQCILXQTP-LBPRGKRZSA-N 1 1 279.405 3.323 20 30 CGEDMO N#Cc1ccc(OCC[N@@H+]2CCC[C@@H](CCF)C2)cc1 ZINC000595756359 347351822 /nfs/dbraw/zinc/35/18/22/347351822.db2.gz UJMRRIHNZASFFG-HNNXBMFYSA-N 1 1 276.355 3.009 20 30 CGEDMO CC(C)c1ncc(C[N@@H+](C)CCc2ccc(C#N)cc2)cn1 ZINC000595472789 347308615 /nfs/dbraw/zinc/30/86/15/347308615.db2.gz QNLNWMZMJIHXDG-UHFFFAOYSA-N 1 1 294.402 3.146 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cc1 ZINC000595490438 347311519 /nfs/dbraw/zinc/31/15/19/347311519.db2.gz KYZOVPDENQGXCL-ROUUACIJSA-N 1 1 296.414 3.134 20 30 CGEDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595493955 347311631 /nfs/dbraw/zinc/31/16/31/347311631.db2.gz XPKVOHAHAXWVSY-MAUKXSAKSA-N 1 1 286.419 3.116 20 30 CGEDMO C[C@@H]1COC2(CCCC2)C[N@H+]1CCc1ccc(C#N)cc1 ZINC000595809520 347357572 /nfs/dbraw/zinc/35/75/72/347357572.db2.gz SIRPTPMVWVXGQB-OAHLLOKOSA-N 1 1 284.403 3.134 20 30 CGEDMO CO[C@@H](C[N@@H+]1Cc2cccc(C#N)c2C1)C1CCCCC1 ZINC000595561615 347319558 /nfs/dbraw/zinc/31/95/58/347319558.db2.gz OIEXPFTVBFNSEO-SFHVURJKSA-N 1 1 284.403 3.469 20 30 CGEDMO CO[C@@H](C[N@H+]1Cc2cccc(C#N)c2C1)C1CCCCC1 ZINC000595561615 347319562 /nfs/dbraw/zinc/31/95/62/347319562.db2.gz OIEXPFTVBFNSEO-SFHVURJKSA-N 1 1 284.403 3.469 20 30 CGEDMO CCC[N@@H+](CC)C[C@H](C)Nc1nc2ncccc2cc1C#N ZINC000596242499 347403746 /nfs/dbraw/zinc/40/37/46/347403746.db2.gz UUSNGSJSDMITHY-ZDUSSCGKSA-N 1 1 297.406 3.034 20 30 CGEDMO CN(c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000595825155 347360974 /nfs/dbraw/zinc/36/09/74/347360974.db2.gz CFBRKLHAQRANIP-IBGZPJMESA-N 1 1 291.398 3.269 20 30 CGEDMO Cc1cccc(C)c1NC(=O)CCC[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595833077 347362490 /nfs/dbraw/zinc/36/24/90/347362490.db2.gz FMXLPBUUVKAEQC-SFHVURJKSA-N 1 1 299.418 3.258 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000595833969 347363382 /nfs/dbraw/zinc/36/33/82/347363382.db2.gz JGKJECSTZBCPDV-HNNXBMFYSA-N 1 1 278.783 3.344 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000595833969 347363384 /nfs/dbraw/zinc/36/33/84/347363384.db2.gz JGKJECSTZBCPDV-HNNXBMFYSA-N 1 1 278.783 3.344 20 30 CGEDMO N#CCSCCC[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000595838732 347364472 /nfs/dbraw/zinc/36/44/72/347364472.db2.gz VHKSITLIQPUMQT-AWEZNQCLSA-N 1 1 252.427 3.145 20 30 CGEDMO COc1ccc([C@H](C)C[N@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000595840375 347365103 /nfs/dbraw/zinc/36/51/03/347365103.db2.gz AJUQKORMSFRNCR-CJNGLKHVSA-N 1 1 258.365 3.034 20 30 CGEDMO CC(C)O[C@@H](C[N@@H+]1CC[C@](C)(C#N)C1)c1ccccc1 ZINC000595840582 347365658 /nfs/dbraw/zinc/36/56/58/347365658.db2.gz CCAKZTXDFUJJEK-DLBZAZTESA-N 1 1 272.392 3.388 20 30 CGEDMO CC(C)O[C@@H](C[N@H+]1CC[C@](C)(C#N)C1)c1ccccc1 ZINC000595840582 347365662 /nfs/dbraw/zinc/36/56/62/347365662.db2.gz CCAKZTXDFUJJEK-DLBZAZTESA-N 1 1 272.392 3.388 20 30 CGEDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000595858035 347368296 /nfs/dbraw/zinc/36/82/96/347368296.db2.gz QYABDLGPLMDOIM-PHTAMDTFSA-N 1 1 285.347 3.229 20 30 CGEDMO C[N@@H+](Cc1nc(C#N)cs1)C[C@H]1CCc2ccccc21 ZINC000595877878 347370134 /nfs/dbraw/zinc/37/01/34/347370134.db2.gz LBFPVMNGJNQXSZ-CYBMUJFWSA-N 1 1 283.400 3.177 20 30 CGEDMO C[N@H+](Cc1nc(C#N)cs1)C[C@H]1CCc2ccccc21 ZINC000595877878 347370136 /nfs/dbraw/zinc/37/01/36/347370136.db2.gz LBFPVMNGJNQXSZ-CYBMUJFWSA-N 1 1 283.400 3.177 20 30 CGEDMO C[N@H+](CC1=CCSC1)Cc1ccc(Cl)cc1C#N ZINC000595889256 347371013 /nfs/dbraw/zinc/37/10/13/347371013.db2.gz SQMLNDVAWRPDOV-UHFFFAOYSA-N 1 1 278.808 3.317 20 30 CGEDMO C[N@@H+](CC1=CCSC1)Cc1ccc(Cl)cc1C#N ZINC000595889256 347371014 /nfs/dbraw/zinc/37/10/14/347371014.db2.gz SQMLNDVAWRPDOV-UHFFFAOYSA-N 1 1 278.808 3.317 20 30 CGEDMO Cc1ccc(C#N)nc1NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000596074593 347379500 /nfs/dbraw/zinc/37/95/00/347379500.db2.gz CDNHMDLUAIEBQD-CQSZACIVSA-N 1 1 286.423 3.186 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000597173888 347543970 /nfs/dbraw/zinc/54/39/70/347543970.db2.gz MTGYTRLERMEFBG-GFCCVEGCSA-N 1 1 286.404 3.264 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)CC(C)(C)O ZINC000596996558 347525459 /nfs/dbraw/zinc/52/54/59/347525459.db2.gz UCWDYHFBWBVIKF-UHFFFAOYSA-N 1 1 286.419 3.225 20 30 CGEDMO CCC[C@@]1(CO)CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597133485 347538997 /nfs/dbraw/zinc/53/89/97/347538997.db2.gz UAKGQXSVQLWUAR-GOSISDBHSA-N 1 1 298.430 3.226 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CC1(C)C ZINC000597138167 347539588 /nfs/dbraw/zinc/53/95/88/347539588.db2.gz MFFDPZDXRGIPOU-KRWDZBQOSA-N 1 1 298.430 3.489 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@@H]1C ZINC000597138226 347539980 /nfs/dbraw/zinc/53/99/80/347539980.db2.gz MYIUMIHMPOQTFD-WMLDXEAASA-N 1 1 284.403 3.099 20 30 CGEDMO COC[C@H]1CCCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597147380 347540697 /nfs/dbraw/zinc/54/06/97/347540697.db2.gz JXGUYXKYRKASPF-QGZVFWFLSA-N 1 1 284.403 3.243 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CCC1)c1cc2cnccc2o1 ZINC000597152500 347540845 /nfs/dbraw/zinc/54/08/45/347540845.db2.gz BYHBXRHZFZQAFB-NSHDSACASA-N 1 1 255.321 3.172 20 30 CGEDMO N#CCC1C[NH+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000597194443 347548769 /nfs/dbraw/zinc/54/87/69/347548769.db2.gz TWVQLCSKEFMKHT-UHFFFAOYSA-N 1 1 252.317 3.292 20 30 CGEDMO CCCCOc1ccc(C[NH+]2CC(CC#N)C2)cc1 ZINC000597194824 347548953 /nfs/dbraw/zinc/54/89/53/347548953.db2.gz ZFTFZWKSFUDFCW-UHFFFAOYSA-N 1 1 258.365 3.211 20 30 CGEDMO N#Cc1ccc(C[NH+]2CC(Cc3ccsc3)C2)cc1F ZINC000598678205 347677661 /nfs/dbraw/zinc/67/76/61/347677661.db2.gz ONAILSWLWSHWMO-UHFFFAOYSA-N 1 1 286.375 3.433 20 30 CGEDMO C[N@@H+](C[C@@H](O)CC(C)(C)C#N)[C@H]1CCCc2ccccc21 ZINC000598584733 347665948 /nfs/dbraw/zinc/66/59/48/347665948.db2.gz UDYNZRWLOTUASP-RDJZCZTQSA-N 1 1 286.419 3.297 20 30 CGEDMO Cc1ccccc1[C@H]1CC[N@@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598589611 347667537 /nfs/dbraw/zinc/66/75/37/347667537.db2.gz HBCFCTREWNEVAX-JKSUJKDBSA-N 1 1 286.419 3.085 20 30 CGEDMO CCC[N@@H+](CCc1cccs1)C[C@H](O)CC(C)(C)C#N ZINC000598604637 347670512 /nfs/dbraw/zinc/67/05/12/347670512.db2.gz OOLIFZGPBGJZLO-CQSZACIVSA-N 1 1 294.464 3.303 20 30 CGEDMO CC(C)C[C@]1(C)CCC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598618911 347671214 /nfs/dbraw/zinc/67/12/14/347671214.db2.gz SEKLXNXUJXVFOL-ZBFHGGJFSA-N 1 1 266.429 3.188 20 30 CGEDMO C=CC[C@H]1[N@@H+](C[C@H](O)CC(C)(C)C#N)CCCC1(C)C ZINC000598615391 347671682 /nfs/dbraw/zinc/67/16/82/347671682.db2.gz XYLFOIDHEWNUMR-HUUCEWRRSA-N 1 1 278.440 3.354 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000598627103 347673002 /nfs/dbraw/zinc/67/30/02/347673002.db2.gz PFEBJEAMIHBMJI-HOTGVXAUSA-N 1 1 278.440 3.189 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CCCC2(CC2)CC1 ZINC000599673088 347762978 /nfs/dbraw/zinc/76/29/78/347762978.db2.gz MJYFKGIYKOEHDC-UHFFFAOYSA-N 1 1 258.340 3.463 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCCC3(CC3)CC2)ccc1F ZINC000599673043 347763289 /nfs/dbraw/zinc/76/32/89/347763289.db2.gz LNVJIMRDZGRUIK-UHFFFAOYSA-N 1 1 258.340 3.463 20 30 CGEDMO N#CCc1cccc2c1CC[N@H+](C[C@H](O)C1CCCCC1)C2 ZINC000599679117 347764707 /nfs/dbraw/zinc/76/47/07/347764707.db2.gz WIHQUKRZLPJDSZ-IBGZPJMESA-N 1 1 298.430 3.052 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@H](c3ccco3)C2)cc1C#N ZINC000599291832 347732427 /nfs/dbraw/zinc/73/24/27/347732427.db2.gz SEQDMIVMBFVTCU-HNNXBMFYSA-N 1 1 266.344 3.449 20 30 CGEDMO CCN1CC[C@H]([N@H+](C)Cc2ccc(C)c(C#N)c2)[C@@H](C)C1 ZINC000599332456 347736565 /nfs/dbraw/zinc/73/65/65/347736565.db2.gz TVDSNAFAHBBWPP-YJBOKZPZSA-N 1 1 285.435 3.029 20 30 CGEDMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(C)c(C#N)c2)[C@@H](C)C1 ZINC000599332456 347736570 /nfs/dbraw/zinc/73/65/70/347736570.db2.gz TVDSNAFAHBBWPP-YJBOKZPZSA-N 1 1 285.435 3.029 20 30 CGEDMO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(C)c(C#N)c2)[C@@H](C)C1 ZINC000599332456 347736575 /nfs/dbraw/zinc/73/65/75/347736575.db2.gz TVDSNAFAHBBWPP-YJBOKZPZSA-N 1 1 285.435 3.029 20 30 CGEDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(C)c(C#N)c2)[C@@H](C)C1 ZINC000599332456 347736579 /nfs/dbraw/zinc/73/65/79/347736579.db2.gz TVDSNAFAHBBWPP-YJBOKZPZSA-N 1 1 285.435 3.029 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@@H](OC(F)F)C2)cc1C#N ZINC000599357530 347739079 /nfs/dbraw/zinc/73/90/79/347739079.db2.gz RGPOPBRXFPTZRW-CQSZACIVSA-N 1 1 280.318 3.070 20 30 CGEDMO Cc1ccc(C[N@H+](C)Cc2cnccc2C)cc1C#N ZINC000599390113 347741394 /nfs/dbraw/zinc/74/13/94/347741394.db2.gz FIABRNZUWZZPPR-UHFFFAOYSA-N 1 1 265.360 3.202 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC000599470594 347747559 /nfs/dbraw/zinc/74/75/59/347747559.db2.gz UBMZUFUHYLTHGM-NSHDSACASA-N 1 1 264.756 3.171 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC000599470594 347747560 /nfs/dbraw/zinc/74/75/60/347747560.db2.gz UBMZUFUHYLTHGM-NSHDSACASA-N 1 1 264.756 3.171 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(C(=O)OC)cc2F)C1 ZINC000599526784 347750592 /nfs/dbraw/zinc/75/05/92/347750592.db2.gz SAQPSFAZRYUJSC-LBPRGKRZSA-N 1 1 277.339 3.010 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1 ZINC000599552419 347753251 /nfs/dbraw/zinc/75/32/51/347753251.db2.gz BYUDPRHERGNLMA-CVEARBPZSA-N 1 1 272.417 3.223 20 30 CGEDMO C[C@H]1C[N@@H+](CCC(C)(C)C#N)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599580887 347756100 /nfs/dbraw/zinc/75/61/00/347756100.db2.gz HFDFXHOFZIBQLO-KBPBESRZSA-N 1 1 294.439 3.226 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599587571 347756217 /nfs/dbraw/zinc/75/62/17/347756217.db2.gz FSMGCQUPVBGEDG-KBPBESRZSA-N 1 1 267.413 3.252 20 30 CGEDMO C[C@@]1(C#N)CCC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000600144821 347784647 /nfs/dbraw/zinc/78/46/47/347784647.db2.gz OCDBIWQBELNPJW-INIZCTEOSA-N 1 1 253.349 3.294 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000600144821 347784649 /nfs/dbraw/zinc/78/46/49/347784649.db2.gz OCDBIWQBELNPJW-INIZCTEOSA-N 1 1 253.349 3.294 20 30 CGEDMO C[N@@H+](CC(=O)N[C@H](CCCC#N)c1ccccc1)C1CCC1 ZINC000600825964 347839903 /nfs/dbraw/zinc/83/99/03/347839903.db2.gz WPQZXEBICKGOTE-QGZVFWFLSA-N 1 1 299.418 3.022 20 30 CGEDMO Cc1c2cc(C#N)ccc2nc2c1C[N@@H+](C)C(C)(C)C2 ZINC000601043735 347855396 /nfs/dbraw/zinc/85/53/96/347855396.db2.gz ICNAZVLHZUESDO-UHFFFAOYSA-N 1 1 265.360 3.181 20 30 CGEDMO Cc1c2cc(C#N)ccc2nc2c1C[N@H+](C)C(C)(C)C2 ZINC000601043735 347855399 /nfs/dbraw/zinc/85/53/99/347855399.db2.gz ICNAZVLHZUESDO-UHFFFAOYSA-N 1 1 265.360 3.181 20 30 CGEDMO Cc1cc(C)c(COc2cccc(C#N)c2)c(C)[nH+]1 ZINC000601070737 347862680 /nfs/dbraw/zinc/86/26/80/347862680.db2.gz RJXSEZUTJZHOJO-UHFFFAOYSA-N 1 1 252.317 3.458 20 30 CGEDMO CC[N@@H+](Cc1cccc(C#N)n1)Cc1ccccc1C ZINC000602437985 347958309 /nfs/dbraw/zinc/95/83/09/347958309.db2.gz AVEXUAJPCHPZDW-UHFFFAOYSA-N 1 1 265.360 3.284 20 30 CGEDMO CCC[N@@H+](CCC[C@@H]1CCO1)Cc1ccc(C#N)cc1 ZINC000602444145 347959344 /nfs/dbraw/zinc/95/93/44/347959344.db2.gz MMCQZPBQCRCICZ-QGZVFWFLSA-N 1 1 272.392 3.339 20 30 CGEDMO CC(C)[N@@H+](CCC#N)C[C@@H]1CCN(c2ccccc2)C1 ZINC000602448148 347960224 /nfs/dbraw/zinc/96/02/24/347960224.db2.gz MKHKNWZLXSOPCF-INIZCTEOSA-N 1 1 271.408 3.137 20 30 CGEDMO CCC[N@@H+](C[C@H](C)CCC#N)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000602471984 347963718 /nfs/dbraw/zinc/96/37/18/347963718.db2.gz MZQHEKOFIJIPBB-QKPAOTATSA-N 1 1 278.440 3.452 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCS[C@H](c3ccccc3)C2)n1 ZINC000602474512 347964841 /nfs/dbraw/zinc/96/48/41/347964841.db2.gz XLNVCRYMSWBTEE-KRWDZBQOSA-N 1 1 295.411 3.243 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCS[C@H](c3ccccc3)C2)n1 ZINC000602474512 347964847 /nfs/dbraw/zinc/96/48/47/347964847.db2.gz XLNVCRYMSWBTEE-KRWDZBQOSA-N 1 1 295.411 3.243 20 30 CGEDMO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1cccc(C#N)n1)CCC2 ZINC000602477202 347965028 /nfs/dbraw/zinc/96/50/28/347965028.db2.gz YZXWNUAQRNGIRR-OAHLLOKOSA-N 1 1 298.415 3.228 20 30 CGEDMO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1cccc(C#N)n1)CCC2 ZINC000602477202 347965030 /nfs/dbraw/zinc/96/50/30/347965030.db2.gz YZXWNUAQRNGIRR-OAHLLOKOSA-N 1 1 298.415 3.228 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000602475621 347965142 /nfs/dbraw/zinc/96/51/42/347965142.db2.gz LOZFTPCZWFHJDW-QAPCUYQASA-N 1 1 284.403 3.100 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000602480159 347966271 /nfs/dbraw/zinc/96/62/71/347966271.db2.gz UNYZRWMDDMOEBJ-GXTWGEPZSA-N 1 1 264.394 3.061 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000602480159 347966272 /nfs/dbraw/zinc/96/62/72/347966272.db2.gz UNYZRWMDDMOEBJ-GXTWGEPZSA-N 1 1 264.394 3.061 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000602620115 347995523 /nfs/dbraw/zinc/99/55/23/347995523.db2.gz UTMKEVVRRHTVJJ-WMLDXEAASA-N 1 1 270.376 3.058 20 30 CGEDMO CC[C@@H](CO)[N@H+](Cc1ccccc1)C[C@@H](C)CCC#N ZINC000602626349 347995895 /nfs/dbraw/zinc/99/58/95/347995895.db2.gz XZIMHJPJCGATQG-RDJZCZTQSA-N 1 1 274.408 3.199 20 30 CGEDMO CC[N@@H+](Cc1cccc(C#N)n1)[C@@H](C)Cc1ccsc1 ZINC000602622605 347996199 /nfs/dbraw/zinc/99/61/99/347996199.db2.gz BANOTRBAPBTSLJ-ZDUSSCGKSA-N 1 1 285.416 3.468 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000602628364 347996700 /nfs/dbraw/zinc/99/67/00/347996700.db2.gz WSYGKOVOGZVQQW-AWEZNQCLSA-N 1 1 264.413 3.350 20 30 CGEDMO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1C[C@H](C)CCC#N ZINC000602637170 347998501 /nfs/dbraw/zinc/99/85/01/347998501.db2.gz LPRMOZPMTIXPIP-ZBFHGGJFSA-N 1 1 280.412 3.124 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)CCCOCc1ccccc1 ZINC000602656122 348002128 /nfs/dbraw/zinc/00/21/28/348002128.db2.gz MOCVUFMEYYTRIW-MRXNPFEDSA-N 1 1 274.408 3.465 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc(C(F)F)nc2)CCCC1 ZINC000602697591 348011498 /nfs/dbraw/zinc/01/14/98/348011498.db2.gz BXYJWRAHOXSQFK-UHFFFAOYSA-N 1 1 265.307 3.193 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000602709579 348015075 /nfs/dbraw/zinc/01/50/75/348015075.db2.gz GEYYHAXVRZQBCG-RYQLBKOJSA-N 1 1 286.419 3.024 20 30 CGEDMO COc1nc(C)cc(C)c1C[N@@H+](C)C[C@@H](C)CCC#N ZINC000602716614 348016601 /nfs/dbraw/zinc/01/66/01/348016601.db2.gz URMBRALMHCLHMA-LBPRGKRZSA-N 1 1 275.396 3.079 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000602716904 348016611 /nfs/dbraw/zinc/01/66/11/348016611.db2.gz LEFURHPTDSVTFP-PMPSAXMXSA-N 1 1 264.413 3.207 20 30 CGEDMO CC[N@@H+](Cc1cnc(OC)c2ccccc12)C[C@H](C)C#N ZINC000602768779 348025594 /nfs/dbraw/zinc/02/55/94/348025594.db2.gz AQLVANMNNQUMPQ-CYBMUJFWSA-N 1 1 283.375 3.225 20 30 CGEDMO CC[N@H+](Cc1cnc(OC)c2ccccc12)C[C@H](C)C#N ZINC000602768779 348025598 /nfs/dbraw/zinc/02/55/98/348025598.db2.gz AQLVANMNNQUMPQ-CYBMUJFWSA-N 1 1 283.375 3.225 20 30 CGEDMO CC(C)COC[C@H]([NH2+]CC1(CC#N)CC1)c1ccco1 ZINC000602804102 348031259 /nfs/dbraw/zinc/03/12/59/348031259.db2.gz IFSYYYXNTJJKOH-AWEZNQCLSA-N 1 1 276.380 3.277 20 30 CGEDMO Cc1csc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)n1 ZINC000602907226 348042529 /nfs/dbraw/zinc/04/25/29/348042529.db2.gz QFWURFLTSVYBNY-UHFFFAOYSA-N 1 1 298.415 3.098 20 30 CGEDMO C[N@H+](Cc1ccc(OC(F)F)cc1)[C@H]1CCC[C@H]1C#N ZINC000602977209 348049465 /nfs/dbraw/zinc/04/94/65/348049465.db2.gz ZCFMSACTPGHXCI-JSGCOSHPSA-N 1 1 280.318 3.412 20 30 CGEDMO C[N@@H+](Cc1ccc(OC(F)F)cc1)[C@H]1CCC[C@H]1C#N ZINC000602977209 348049467 /nfs/dbraw/zinc/04/94/67/348049467.db2.gz ZCFMSACTPGHXCI-JSGCOSHPSA-N 1 1 280.318 3.412 20 30 CGEDMO COc1ccccc1CCC[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602980403 348050328 /nfs/dbraw/zinc/05/03/28/348050328.db2.gz PUHQLUNODFLSNX-HZPDHXFCSA-N 1 1 272.392 3.252 20 30 CGEDMO C[N@H+](CCC1(C#N)CCCCC1)[C@H]1CCC[C@H]1C#N ZINC000602982600 348052048 /nfs/dbraw/zinc/05/20/48/348052048.db2.gz VEGAIWQXZZZISD-GJZGRUSLSA-N 1 1 259.397 3.475 20 30 CGEDMO C[N@@H+](CCC1(C#N)CCCCC1)[C@H]1CCC[C@H]1C#N ZINC000602982600 348052050 /nfs/dbraw/zinc/05/20/50/348052050.db2.gz VEGAIWQXZZZISD-GJZGRUSLSA-N 1 1 259.397 3.475 20 30 CGEDMO N#CCC1(C[NH2+][C@H](CF)c2ccc(F)cc2)CC1 ZINC000603019770 348054770 /nfs/dbraw/zinc/05/47/70/348054770.db2.gz MSIYNNLRHOUYTE-CYBMUJFWSA-N 1 1 250.292 3.120 20 30 CGEDMO COc1ccc(C)cc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000609239503 348340655 /nfs/dbraw/zinc/34/06/55/348340655.db2.gz RHIIMEULHWCKNV-UHFFFAOYSA-N 1 1 284.334 3.304 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](c3ccco3)C2)c1 ZINC000609540421 348346660 /nfs/dbraw/zinc/34/66/60/348346660.db2.gz VYGLGZKUDDUHAO-OAHLLOKOSA-N 1 1 252.317 3.141 20 30 CGEDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2ccc(C#N)cc2)C1 ZINC000610282015 348371699 /nfs/dbraw/zinc/37/16/99/348371699.db2.gz ZBCDFGQIWRGSKQ-IBGZPJMESA-N 1 1 291.398 3.269 20 30 CGEDMO CCS[C@@H]1CCCC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000610992794 348414755 /nfs/dbraw/zinc/41/47/55/348414755.db2.gz JUJLLXLMGINMEZ-OAHLLOKOSA-N 1 1 275.421 3.061 20 30 CGEDMO CC[C@H](C)[C@@H](C)[N@@H+](Cc1ccnc(C#N)c1)C1CC1 ZINC000610992641 348414892 /nfs/dbraw/zinc/41/48/92/348414892.db2.gz WPBJLTSKMSURIN-QWHCGFSZSA-N 1 1 257.381 3.352 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@]3(CC=CCC3)C2)ccn1 ZINC000610993449 348416160 /nfs/dbraw/zinc/41/61/60/348416160.db2.gz SUWRMTVKZMDIMX-QGZVFWFLSA-N 1 1 267.376 3.276 20 30 CGEDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccnc(C#N)c1 ZINC000610993774 348416762 /nfs/dbraw/zinc/41/67/62/348416762.db2.gz IGLWWPJZMZRMTB-IVMMDQJWSA-N 1 1 255.365 3.106 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@H]2c2ccccc2)ccn1 ZINC000610995335 348417262 /nfs/dbraw/zinc/41/72/62/348417262.db2.gz SUJVDMBNNWEEHT-KRWDZBQOSA-N 1 1 263.344 3.290 20 30 CGEDMO CCn1cc(C[N@@H+](Cc2cccc(C#N)c2)C(C)C)cn1 ZINC000611254727 348432362 /nfs/dbraw/zinc/43/23/62/348432362.db2.gz UGKLZQLQQGQHAB-UHFFFAOYSA-N 1 1 282.391 3.185 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@H](C)[C@H]2C)c1C#N ZINC000611347875 348440059 /nfs/dbraw/zinc/44/00/59/348440059.db2.gz LRJMGZBTYUKBHB-DZGCQCFKSA-N 1 1 294.402 3.283 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@H](C)[C@H]2C)c1C#N ZINC000611347875 348440061 /nfs/dbraw/zinc/44/00/61/348440061.db2.gz LRJMGZBTYUKBHB-DZGCQCFKSA-N 1 1 294.402 3.283 20 30 CGEDMO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000611372101 348441710 /nfs/dbraw/zinc/44/17/10/348441710.db2.gz DOIWLVQZWJEBLI-INIZCTEOSA-N 1 1 298.365 3.076 20 30 CGEDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1cccc(C#N)c1F ZINC000611372101 348441712 /nfs/dbraw/zinc/44/17/12/348441712.db2.gz DOIWLVQZWJEBLI-INIZCTEOSA-N 1 1 298.365 3.076 20 30 CGEDMO N#Cc1cc(C[NH2+]C2(c3ccc(F)cc3F)CCC2)ccn1 ZINC000611397438 348446888 /nfs/dbraw/zinc/44/68/88/348446888.db2.gz OKPJBTFLAJVXTP-UHFFFAOYSA-N 1 1 299.324 3.400 20 30 CGEDMO C[C@@H](NCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)cc1 ZINC000611438122 348452237 /nfs/dbraw/zinc/45/22/37/348452237.db2.gz LVNSUXCEFOMMBK-OWCLPIDISA-N 1 1 285.435 3.187 20 30 CGEDMO C[C@@H](NCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)cc1 ZINC000611438122 348452240 /nfs/dbraw/zinc/45/22/40/348452240.db2.gz LVNSUXCEFOMMBK-OWCLPIDISA-N 1 1 285.435 3.187 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](CCCCOc2ccccc2)C1 ZINC000612164284 348498567 /nfs/dbraw/zinc/49/85/67/348498567.db2.gz CRIVFDQMGDNSLR-QGZVFWFLSA-N 1 1 272.392 3.471 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000612406097 348516753 /nfs/dbraw/zinc/51/67/53/348516753.db2.gz ICQQDSYKWOKXAK-IXDOHACOSA-N 1 1 254.377 3.416 20 30 CGEDMO C[C@@]1(C#N)CCC[N@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000612405765 348516820 /nfs/dbraw/zinc/51/68/20/348516820.db2.gz CNTPFGRJYIPYIU-HNNXBMFYSA-N 1 1 286.404 3.059 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000612405765 348516821 /nfs/dbraw/zinc/51/68/21/348516821.db2.gz CNTPFGRJYIPYIU-HNNXBMFYSA-N 1 1 286.404 3.059 20 30 CGEDMO N#Cc1ccccc1C[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000339499218 215211840 /nfs/dbraw/zinc/21/18/40/215211840.db2.gz NBTCAOQMWBCHQL-UHFFFAOYSA-N 1 1 292.338 3.066 20 30 CGEDMO CC(C)(C)OC(=O)c1ccc(C[NH2+]CC(C)(C)C#N)cc1 ZINC000613241371 348579412 /nfs/dbraw/zinc/57/94/12/348579412.db2.gz SURYEICUSKMWRI-UHFFFAOYSA-N 1 1 288.391 3.281 20 30 CGEDMO CC[C@@H](C)[N@@H+](C)CCNc1nc(C(C)(C)C)ccc1C#N ZINC000613418501 348600015 /nfs/dbraw/zinc/60/00/15/348600015.db2.gz VMVDGGANNCQOQE-CYBMUJFWSA-N 1 1 288.439 3.393 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)cc1 ZINC000614159846 348653297 /nfs/dbraw/zinc/65/32/97/348653297.db2.gz STHVCKKKVVGYAJ-INIZCTEOSA-N 1 1 298.430 3.489 20 30 CGEDMO C[C@H]1CSCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614167971 348654303 /nfs/dbraw/zinc/65/43/03/348654303.db2.gz FESDTUNXUQRYFP-ZDUSSCGKSA-N 1 1 274.433 3.425 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000614176166 348655029 /nfs/dbraw/zinc/65/50/29/348655029.db2.gz NXHQMACGLBAVSO-SJORKVTESA-N 1 1 298.430 3.346 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCOC[C@@H]2C2CC2)cc1 ZINC000614178462 348655408 /nfs/dbraw/zinc/65/54/08/348655408.db2.gz DOFLJMOSMZHLIZ-QGZVFWFLSA-N 1 1 284.403 3.099 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000614176164 348655417 /nfs/dbraw/zinc/65/54/17/348655417.db2.gz NXHQMACGLBAVSO-IAGOWNOFSA-N 1 1 298.430 3.346 20 30 CGEDMO CO[C@H](C)C[N@@H+](Cc1ccc(C#N)cc1C)C(C)C ZINC000614400782 348673735 /nfs/dbraw/zinc/67/37/35/348673735.db2.gz DTYHPWJUGKKOSE-CQSZACIVSA-N 1 1 260.381 3.112 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+](C)Cc1cccc(O)c1 ZINC000614402426 348673813 /nfs/dbraw/zinc/67/38/13/348673813.db2.gz XOHNQPWBESDSAG-UHFFFAOYSA-N 1 1 266.344 3.204 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCC2(CCOCC2)C1 ZINC000614400777 348673879 /nfs/dbraw/zinc/67/38/79/348673879.db2.gz DDINWDAXIQYJPD-UHFFFAOYSA-N 1 1 284.403 3.259 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(F)c(F)c1 ZINC000614800098 348694469 /nfs/dbraw/zinc/69/44/69/348694469.db2.gz CWYYPTSDWFGHHL-SNVBAGLBSA-N 1 1 273.286 3.082 20 30 CGEDMO CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000614922623 348700479 /nfs/dbraw/zinc/70/04/79/348700479.db2.gz YJKLKVJXJYSHDW-CQSZACIVSA-N 1 1 298.308 3.102 20 30 CGEDMO CO[C@]1(C(F)(F)F)CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000614922623 348700482 /nfs/dbraw/zinc/70/04/82/348700482.db2.gz YJKLKVJXJYSHDW-CQSZACIVSA-N 1 1 298.308 3.102 20 30 CGEDMO CCn1ccc(C[N@@H+](C)Cc2cc(C#N)cs2)c1 ZINC000616737744 348876999 /nfs/dbraw/zinc/87/69/99/348876999.db2.gz IINHKBUDHJIGQI-UHFFFAOYSA-N 1 1 259.378 3.073 20 30 CGEDMO CC1(C)C[N@H+](Cc2ccnc(C#N)c2)CC[C@H]1C(F)(F)F ZINC000616809455 348878949 /nfs/dbraw/zinc/87/89/49/348878949.db2.gz HWAWZQIFUPVOGC-CYBMUJFWSA-N 1 1 297.324 3.364 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccnc(C#N)c2)CC[C@H]1C(F)(F)F ZINC000616809455 348878954 /nfs/dbraw/zinc/87/89/54/348878954.db2.gz HWAWZQIFUPVOGC-CYBMUJFWSA-N 1 1 297.324 3.364 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccc(C(C)(C)C#N)cc1 ZINC000616847143 348880422 /nfs/dbraw/zinc/88/04/22/348880422.db2.gz YZNSOZIBIUEJJN-UHFFFAOYSA-N 1 1 272.392 3.122 20 30 CGEDMO Cc1cc(C)cc(C[N@@H+](C)Cc2ccnc(C#N)c2)c1 ZINC000618311003 349068033 /nfs/dbraw/zinc/06/80/33/349068033.db2.gz FTAPFBUKRJCGBF-UHFFFAOYSA-N 1 1 265.360 3.202 20 30 CGEDMO COCC[N@H+](CCC#N)CC[C@@H](C)c1ccccc1 ZINC000618593627 349115779 /nfs/dbraw/zinc/11/57/79/349115779.db2.gz BZARBSRZVKAEQZ-OAHLLOKOSA-N 1 1 260.381 3.042 20 30 CGEDMO COCC[N@@H+](CCC#N)CC[C@@H](C)c1ccccc1 ZINC000618593627 349115782 /nfs/dbraw/zinc/11/57/82/349115782.db2.gz BZARBSRZVKAEQZ-OAHLLOKOSA-N 1 1 260.381 3.042 20 30 CGEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cn2)cc1 ZINC000618903888 349177746 /nfs/dbraw/zinc/17/77/46/349177746.db2.gz BRMWBRPZUUBXQC-SFHVURJKSA-N 1 1 293.370 3.299 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000618888344 349176128 /nfs/dbraw/zinc/17/61/28/349176128.db2.gz WIPMUWILUKVMAE-AEFFLSMTSA-N 1 1 286.419 3.260 20 30 CGEDMO C[C@]1(c2ccc(F)cc2)CC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000619517245 349255618 /nfs/dbraw/zinc/25/56/18/349255618.db2.gz IUEMEVJDXMGGRQ-SFHVURJKSA-N 1 1 295.361 3.256 20 30 CGEDMO CC[N@H+]1CC[C@H](NCc2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000619755566 349282498 /nfs/dbraw/zinc/28/24/98/349282498.db2.gz ZRYAYFFEUVKADC-WBMJQRKESA-N 1 1 291.826 3.032 20 30 CGEDMO CCN1CC[C@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000619755566 349282508 /nfs/dbraw/zinc/28/25/08/349282508.db2.gz ZRYAYFFEUVKADC-WBMJQRKESA-N 1 1 291.826 3.032 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccncc2Br)C1 ZINC000625705925 350200503 /nfs/dbraw/zinc/20/05/03/350200503.db2.gz UFNYMDQRFRNOQI-NSHDSACASA-N 1 1 281.197 3.242 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2nc3cc(F)ccc3o2)C1 ZINC000625700192 350198118 /nfs/dbraw/zinc/19/81/18/350198118.db2.gz ICVCJCXNAYXCSQ-LLVKDONJSA-N 1 1 260.312 3.365 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2C)C1 ZINC000625704523 350200778 /nfs/dbraw/zinc/20/07/78/350200778.db2.gz OHEGODNUHAYAGK-HNNXBMFYSA-N 1 1 272.392 3.222 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000625705198 350201202 /nfs/dbraw/zinc/20/12/02/350201202.db2.gz YOPFKKPKMDMMFZ-CRAIPNDOSA-N 1 1 298.430 3.078 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(OCCOC)cc2)C1 ZINC000628404990 350528999 /nfs/dbraw/zinc/52/89/99/350528999.db2.gz ASCWLEUFBQKKHF-OAHLLOKOSA-N 1 1 275.392 3.110 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(OC)cc2OC)C1 ZINC000628405959 350529689 /nfs/dbraw/zinc/52/96/89/350529689.db2.gz YOABUIZKTJMCTO-ZDUSSCGKSA-N 1 1 261.365 3.102 20 30 CGEDMO C=C1CC(C)(C(=O)N(C)CC[N@@H+](C)C2CCCCC2)C1 ZINC000630843914 350897881 /nfs/dbraw/zinc/89/78/81/350897881.db2.gz WTWMYSRZBYNFED-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCO[C@@H](C(F)F)CC2)cc1 ZINC000634735600 351581524 /nfs/dbraw/zinc/58/15/24/351581524.db2.gz LBUDNQIYFGFFTL-OAHLLOKOSA-N 1 1 297.345 3.107 20 30 CGEDMO CCC[N@@H+](Cc1ccnn1CC)Cc1ccc(C#N)cc1 ZINC000119261322 370659834 /nfs/dbraw/zinc/65/98/34/370659834.db2.gz WEXAFVMMWGRTEQ-UHFFFAOYSA-N 1 1 282.391 3.187 20 30 CGEDMO C[C@H]1CC[C@H](C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)O1 ZINC000364490667 234047523 /nfs/dbraw/zinc/04/75/23/234047523.db2.gz LRDNYVYZOFUJQA-KBXCAEBGSA-N 1 1 282.387 3.215 20 30 CGEDMO C=C(C)C[N@@H+](CC)[C@@H](C)c1nc(CCCC)no1 ZINC000152549368 188027856 /nfs/dbraw/zinc/02/78/56/188027856.db2.gz DQWKNQPHAQRXID-LBPRGKRZSA-N 1 1 251.374 3.371 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)c1nc(CCCC)no1 ZINC000152549368 188027858 /nfs/dbraw/zinc/02/78/58/188027858.db2.gz DQWKNQPHAQRXID-LBPRGKRZSA-N 1 1 251.374 3.371 20 30 CGEDMO COCC[C@@H]1CCCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000368659399 234329717 /nfs/dbraw/zinc/32/97/17/234329717.db2.gz NNODKHTWYTYZFF-AWEZNQCLSA-N 1 1 290.382 3.336 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000155069295 188179821 /nfs/dbraw/zinc/17/98/21/188179821.db2.gz BPFWUBFDIKBYPJ-OAHLLOKOSA-N 1 1 271.360 3.008 20 30 CGEDMO Clc1cccc(C#CC[N@@H+](C[C@H]2CCOC2)C2CC2)c1 ZINC000156113576 188243662 /nfs/dbraw/zinc/24/36/62/188243662.db2.gz KGYNGCNXALKLGB-OAHLLOKOSA-N 1 1 289.806 3.192 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000156147343 188245389 /nfs/dbraw/zinc/24/53/89/188245389.db2.gz IXSCGISMPJPGGB-UHFFFAOYSA-N 1 1 269.266 3.031 20 30 CGEDMO CC#CCC[N@H+](C)[C@H](C)c1sc(CC)nc1C ZINC000155774967 188227322 /nfs/dbraw/zinc/22/73/22/188227322.db2.gz XLKQODQHLMGGSY-GFCCVEGCSA-N 1 1 250.411 3.420 20 30 CGEDMO C[C@H]1CC[C@]2(CC[N@H+](Cc3nc(C#N)cs3)C2)C1 ZINC000336401578 213259442 /nfs/dbraw/zinc/25/94/42/213259442.db2.gz TXSBNNWYCMSIDP-FZMZJTMJSA-N 1 1 261.394 3.027 20 30 CGEDMO C[C@H]1CC[C@]2(CC[N@@H+](Cc3nc(C#N)cs3)C2)C1 ZINC000336401578 213259444 /nfs/dbraw/zinc/25/94/44/213259444.db2.gz TXSBNNWYCMSIDP-FZMZJTMJSA-N 1 1 261.394 3.027 20 30 CGEDMO N#Cc1ccc2c(c1)CCCC[C@H]2NCC[C@H]1CCC[NH2+]1 ZINC000423361259 283192154 /nfs/dbraw/zinc/19/21/54/283192154.db2.gz RJNCXSGSIBXYCY-SJLPKXTDSA-N 1 1 283.419 3.057 20 30 CGEDMO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1COc3ccc(F)cc31)CC2 ZINC000353648346 283197787 /nfs/dbraw/zinc/19/77/87/283197787.db2.gz YTVMQMDWUDGLCP-IRXDYDNUSA-N 1 1 294.329 3.408 20 30 CGEDMO N#Cc1ccccc1N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000192809152 283215730 /nfs/dbraw/zinc/21/57/30/283215730.db2.gz JPTSDEPGKSXZAT-UHFFFAOYSA-N 1 1 297.427 3.332 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](Nc3ccccc3)C2)s1 ZINC000127087283 138387733 /nfs/dbraw/zinc/38/77/33/138387733.db2.gz XYLKGKFMYAYIRR-AWEZNQCLSA-N 1 1 283.400 3.306 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@H](c2ccccc2)C2(CO)CCC2)o1 ZINC000294043445 198884555 /nfs/dbraw/zinc/88/45/55/198884555.db2.gz WKVMBKQZSPLGNM-QGZVFWFLSA-N 1 1 296.370 3.145 20 30 CGEDMO C[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1cccc([N+](=O)[O-])c1 ZINC000341570274 216017479 /nfs/dbraw/zinc/01/74/79/216017479.db2.gz DYGBADBSQFXGND-LLVKDONJSA-N 1 1 299.305 3.456 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)o1)[C@@H]1CCc2ccccc21 ZINC000179906852 189227219 /nfs/dbraw/zinc/22/72/19/189227219.db2.gz LXXOCMKFWKPVQF-MRXNPFEDSA-N 1 1 252.317 3.271 20 30 CGEDMO Cn1cc(C[N@@H+](C)CCC2CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180284265 189248491 /nfs/dbraw/zinc/24/84/91/189248491.db2.gz IVEHZBGMBIEKMZ-UHFFFAOYSA-N 1 1 294.402 3.191 20 30 CGEDMO COc1ccc(C[N@H+](Cc2cccnc2)C2CC2)cc1C#N ZINC000180736817 189272364 /nfs/dbraw/zinc/27/23/64/189272364.db2.gz XHACFZPWDDAYOF-UHFFFAOYSA-N 1 1 293.370 3.126 20 30 CGEDMO COc1ccc(C[N@@H+](Cc2cccnc2)C2CC2)cc1C#N ZINC000180736817 189272365 /nfs/dbraw/zinc/27/23/65/189272365.db2.gz XHACFZPWDDAYOF-UHFFFAOYSA-N 1 1 293.370 3.126 20 30 CGEDMO COC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccco1 ZINC000181848955 189308225 /nfs/dbraw/zinc/30/82/25/189308225.db2.gz WOQSXCALMOKPTD-WFASDCNBSA-N 1 1 270.332 3.190 20 30 CGEDMO C[C@H]1CCC[N@@H+](CCNc2ccc(C#N)c(Cl)c2)C1 ZINC000301522691 201046645 /nfs/dbraw/zinc/04/66/45/201046645.db2.gz LYJOBBRSXVAWBF-LBPRGKRZSA-N 1 1 277.799 3.355 20 30 CGEDMO C[C@H](NCc1cccc(C#N)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183103649 189346595 /nfs/dbraw/zinc/34/65/95/189346595.db2.gz HEVIFHPXPVFQMY-MAUKXSAKSA-N 1 1 297.446 3.301 20 30 CGEDMO C[C@H](NCc1cccc(C#N)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183103649 189346596 /nfs/dbraw/zinc/34/65/96/189346596.db2.gz HEVIFHPXPVFQMY-MAUKXSAKSA-N 1 1 297.446 3.301 20 30 CGEDMO Cc1nc(NCc2ccc(C#N)cc2F)c(C)c(C)[nH+]1 ZINC000301687239 201138988 /nfs/dbraw/zinc/13/89/88/201138988.db2.gz MDBSVELJRNYMGU-UHFFFAOYSA-N 1 1 270.311 3.025 20 30 CGEDMO CC(=O)c1ccc(C#N)cc1NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000302117967 201347928 /nfs/dbraw/zinc/34/79/28/201347928.db2.gz SESLCQDVDIMSKP-KGLIPLIRSA-N 1 1 299.418 3.293 20 30 CGEDMO CC[C@@H](c1ccncc1)[N@@H+](C)CCCSCC#N ZINC000119814922 370711724 /nfs/dbraw/zinc/71/17/24/370711724.db2.gz CSXQQKYJIBMFOG-AWEZNQCLSA-N 1 1 263.410 3.111 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@]3(CCSC3)C2)c1 ZINC000335578289 212288459 /nfs/dbraw/zinc/28/84/59/212288459.db2.gz FVFAOSMVUANKMG-INIZCTEOSA-N 1 1 272.417 3.277 20 30 CGEDMO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451965795 240389007 /nfs/dbraw/zinc/38/90/07/240389007.db2.gz LCHHQOIWECRVHD-MRXNPFEDSA-N 1 1 290.407 3.416 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451965795 240389011 /nfs/dbraw/zinc/38/90/11/240389011.db2.gz LCHHQOIWECRVHD-MRXNPFEDSA-N 1 1 290.407 3.416 20 30 CGEDMO C=CCC[C@H](C(=O)NCC1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000275386622 193017988 /nfs/dbraw/zinc/01/79/88/193017988.db2.gz YBFJJRQWKAYWFM-SFHVURJKSA-N 1 1 298.430 3.115 20 30 CGEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)C12CCC2 ZINC000120950318 370816640 /nfs/dbraw/zinc/81/66/40/370816640.db2.gz PWGBGFZHBHXGMS-SJORKVTESA-N 1 1 284.403 3.338 20 30 CGEDMO CCC[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000120978965 370819320 /nfs/dbraw/zinc/81/93/20/370819320.db2.gz CBNFWGMIQFOZMQ-AWEZNQCLSA-N 1 1 285.391 3.009 20 30 CGEDMO C=CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000121347845 370853241 /nfs/dbraw/zinc/85/32/41/370853241.db2.gz FTRCWUJDCWIRHS-LLVKDONJSA-N 1 1 266.772 3.093 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000121347845 370853245 /nfs/dbraw/zinc/85/32/45/370853245.db2.gz FTRCWUJDCWIRHS-LLVKDONJSA-N 1 1 266.772 3.093 20 30 CGEDMO C=CC[N@H+](C)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000121500278 370867213 /nfs/dbraw/zinc/86/72/13/370867213.db2.gz NOZOAQXLGKWUBY-GOSISDBHSA-N 1 1 297.398 3.211 20 30 CGEDMO N#Cc1ccc(OCC[N@H+]2CC[C@H]2Cc2ccccc2)cc1 ZINC000479128393 243095119 /nfs/dbraw/zinc/09/51/19/243095119.db2.gz JLEZQHCXOUPJOB-SFHVURJKSA-N 1 1 292.382 3.254 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000574247972 335003740 /nfs/dbraw/zinc/00/37/40/335003740.db2.gz YBJVYCYULBOVDB-NVXWUHKLSA-N 1 1 262.441 3.291 20 30 CGEDMO C=CCCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000574247972 335003741 /nfs/dbraw/zinc/00/37/41/335003741.db2.gz YBJVYCYULBOVDB-NVXWUHKLSA-N 1 1 262.441 3.291 20 30 CGEDMO C[C@H]1SCC[N@@H+](CC#Cc2ccc(F)cc2)[C@H]1C ZINC000125242146 370934162 /nfs/dbraw/zinc/93/41/62/370934162.db2.gz DSHBABUPGBDZBT-QWHCGFSZSA-N 1 1 263.381 3.003 20 30 CGEDMO C[N@H+]1CCN(Cc2cccc(C#N)c2)[C@H](c2ccccc2)C1 ZINC000034790058 368977876 /nfs/dbraw/zinc/97/78/76/368977876.db2.gz HCOYHEVTPZHNQM-IBGZPJMESA-N 1 1 291.398 3.047 20 30 CGEDMO CC[C@H]1CCC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000036169529 369012603 /nfs/dbraw/zinc/01/26/03/369012603.db2.gz VRDQSGOXOJFNHY-AWEZNQCLSA-N 1 1 258.365 3.059 20 30 CGEDMO Cc1nc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2)cs1 ZINC000037748424 369103696 /nfs/dbraw/zinc/10/36/96/369103696.db2.gz AJTPVUXDWORCOY-SNVBAGLBSA-N 1 1 257.362 3.174 20 30 CGEDMO Cc1csc(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)n1 ZINC000038090999 369143484 /nfs/dbraw/zinc/14/34/84/369143484.db2.gz OGDUTMQGKZOYRW-LBPRGKRZSA-N 1 1 287.388 3.205 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1ccccc1F ZINC000042267124 369208525 /nfs/dbraw/zinc/20/85/25/369208525.db2.gz JTMBNKYVQXYROT-UHFFFAOYSA-N 1 1 254.308 3.329 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccccc1F ZINC000042267124 369208530 /nfs/dbraw/zinc/20/85/30/369208530.db2.gz JTMBNKYVQXYROT-UHFFFAOYSA-N 1 1 254.308 3.329 20 30 CGEDMO CC[N@H+](Cc1cccs1)C[C@H](O)c1ccc(C#N)cc1 ZINC000048970452 369377789 /nfs/dbraw/zinc/37/77/89/369377789.db2.gz JTVXUDHKUNFNEH-INIZCTEOSA-N 1 1 286.400 3.175 20 30 CGEDMO COc1ccc(C[N@@H+](C)CC#Cc2ccc(F)cc2)cc1 ZINC000127732202 370956575 /nfs/dbraw/zinc/95/65/75/370956575.db2.gz ZHSZKYDBHJQXBZ-UHFFFAOYSA-N 1 1 283.346 3.318 20 30 CGEDMO C=CCOc1cccc(C[N@H+](C)CCSC)c1 ZINC000128206171 370961562 /nfs/dbraw/zinc/96/15/62/370961562.db2.gz UFZBUHZKQXWFAX-UHFFFAOYSA-N 1 1 251.395 3.046 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(OC)c(COCC)c1 ZINC000276207660 193243525 /nfs/dbraw/zinc/24/35/25/193243525.db2.gz ZPCIAGYFRSFJFC-UHFFFAOYSA-N 1 1 263.381 3.240 20 30 CGEDMO C=CCC[N@@H+](C)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000276385033 193310556 /nfs/dbraw/zinc/31/05/56/193310556.db2.gz IRKSAPRMTGCCDS-UHFFFAOYSA-N 1 1 279.290 3.023 20 30 CGEDMO C=CCC[N@H+](C)Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000276385033 193310558 /nfs/dbraw/zinc/31/05/58/193310558.db2.gz IRKSAPRMTGCCDS-UHFFFAOYSA-N 1 1 279.290 3.023 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC000276422679 193324975 /nfs/dbraw/zinc/32/49/75/193324975.db2.gz MSNUBCCREVQRFF-NSHDSACASA-N 1 1 296.798 3.184 20 30 CGEDMO CC[N@@H+](Cc1ccc(-n2nc(C)cc2C)cc1)C[C@@H](C)C#N ZINC000066424015 369693859 /nfs/dbraw/zinc/69/38/59/369693859.db2.gz NHSYXAQGTZDQEN-AWEZNQCLSA-N 1 1 296.418 3.471 20 30 CGEDMO CC[N@H+](Cc1ccc(-n2nc(C)cc2C)cc1)C[C@@H](C)C#N ZINC000066424015 369693864 /nfs/dbraw/zinc/69/38/64/369693864.db2.gz NHSYXAQGTZDQEN-AWEZNQCLSA-N 1 1 296.418 3.471 20 30 CGEDMO C[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000068837979 369749201 /nfs/dbraw/zinc/74/92/01/369749201.db2.gz GIBZYVMLXPGNIC-INIZCTEOSA-N 1 1 299.418 3.055 20 30 CGEDMO C=C(C)CN1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000077371295 369945929 /nfs/dbraw/zinc/94/59/29/369945929.db2.gz HNNZKDBLUVJQCY-INIZCTEOSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000077371295 369945933 /nfs/dbraw/zinc/94/59/33/369945933.db2.gz HNNZKDBLUVJQCY-INIZCTEOSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(Cc2ccccc2)C[C@@H]1C ZINC000077371295 369945934 /nfs/dbraw/zinc/94/59/34/369945934.db2.gz HNNZKDBLUVJQCY-INIZCTEOSA-N 1 1 258.409 3.159 20 30 CGEDMO C[C@@H]1C[C@H](Nc2ccc(C#N)cc2C(F)(F)F)CC[N@H+]1C ZINC000090795092 370070576 /nfs/dbraw/zinc/07/05/76/370070576.db2.gz LIIYPNMTEYFOKD-ZYHUDNBSSA-N 1 1 297.324 3.472 20 30 CGEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000091081653 370070844 /nfs/dbraw/zinc/07/08/44/370070844.db2.gz UEDNETZOOIYDEW-KRWDZBQOSA-N 1 1 297.377 3.354 20 30 CGEDMO CC[N@@H+](Cc1cccc(OCCCOC)c1)C[C@@H](C)C#N ZINC000091984223 370086654 /nfs/dbraw/zinc/08/66/54/370086654.db2.gz IKCALYCFWOGMKY-HNNXBMFYSA-N 1 1 290.407 3.083 20 30 CGEDMO CC[N@H+](Cc1cccc(OCCCOC)c1)C[C@@H](C)C#N ZINC000091984223 370086658 /nfs/dbraw/zinc/08/66/58/370086658.db2.gz IKCALYCFWOGMKY-HNNXBMFYSA-N 1 1 290.407 3.083 20 30 CGEDMO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)Cc1ccc(C#N)o1 ZINC000092042886 370089669 /nfs/dbraw/zinc/08/96/69/370089669.db2.gz MCBXSFSXXZFEJW-HUUCEWRRSA-N 1 1 276.380 3.177 20 30 CGEDMO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)Cc1ccc(C#N)o1 ZINC000092042887 370089964 /nfs/dbraw/zinc/08/99/64/370089964.db2.gz MCBXSFSXXZFEJW-LSDHHAIUSA-N 1 1 276.380 3.177 20 30 CGEDMO CC(C)CCO[C@@H]1CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000093476341 370133595 /nfs/dbraw/zinc/13/35/95/370133595.db2.gz MOUFVQGTNRXFKP-OAHLLOKOSA-N 1 1 266.429 3.453 20 30 CGEDMO C=CCOc1ccccc1CN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000093644293 370149608 /nfs/dbraw/zinc/14/96/08/370149608.db2.gz WKVHWKWSVGIJNV-WBVHZDCISA-N 1 1 288.435 3.166 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000093644293 370149616 /nfs/dbraw/zinc/14/96/16/370149616.db2.gz WKVHWKWSVGIJNV-WBVHZDCISA-N 1 1 288.435 3.166 20 30 CGEDMO C=CCOc1ccccc1C[N@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000093644293 370149618 /nfs/dbraw/zinc/14/96/18/370149618.db2.gz WKVHWKWSVGIJNV-WBVHZDCISA-N 1 1 288.435 3.166 20 30 CGEDMO Cc1cnc(CC[N@H+](C)Cc2cc(C#N)cs2)s1 ZINC000093807377 370160096 /nfs/dbraw/zinc/16/00/96/370160096.db2.gz HNUKQGYNPWAZIP-UHFFFAOYSA-N 1 1 277.418 3.059 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000103142397 370320135 /nfs/dbraw/zinc/32/01/35/370320135.db2.gz IJGWVGDNSSMTNF-SFHVURJKSA-N 1 1 295.361 3.384 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000103142397 370320141 /nfs/dbraw/zinc/32/01/41/370320141.db2.gz IJGWVGDNSSMTNF-SFHVURJKSA-N 1 1 295.361 3.384 20 30 CGEDMO CC(=O)Nc1cccc(C[N@H+](C)Cc2cccc(C#N)c2)c1 ZINC000101544242 370290087 /nfs/dbraw/zinc/29/00/87/370290087.db2.gz UDNBQKOLKVTVEV-UHFFFAOYSA-N 1 1 293.370 3.149 20 30 CGEDMO CCC[N@@H+](CCCCC#N)Cc1ccc(C#N)cc1 ZINC000102397397 370302786 /nfs/dbraw/zinc/30/27/86/370302786.db2.gz KXNDCVGFRIHCTJ-UHFFFAOYSA-N 1 1 255.365 3.464 20 30 CGEDMO C[N@@H+](CCCCC#N)Cc1nc2c(s1)CCCC2 ZINC000175537109 261231967 /nfs/dbraw/zinc/23/19/67/261231967.db2.gz ZLYSHWRSAPKTDV-UHFFFAOYSA-N 1 1 263.410 3.148 20 30 CGEDMO C[C@@H]1[C@H](Nc2cc(C#N)ccc2C(F)(F)F)CCC[N@H+]1C ZINC000513023626 245062390 /nfs/dbraw/zinc/06/23/90/245062390.db2.gz KIXOFCQECGCKQQ-ZWNOBZJWSA-N 1 1 297.324 3.472 20 30 CGEDMO CC(C)C[C@@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)N(C)C ZINC000512619473 245043768 /nfs/dbraw/zinc/04/37/68/245043768.db2.gz MAWBYBZLJGWRHR-ZFWWWQNUSA-N 1 1 291.414 3.324 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1C[C@@H](c2ccccc2C)OC[C@H]1C ZINC000131635377 371120713 /nfs/dbraw/zinc/12/07/13/371120713.db2.gz DELFLVVXPQNILB-NUJGCVRESA-N 1 1 289.419 3.084 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCc3ccsc3C2)cc1 ZINC000132927086 371212749 /nfs/dbraw/zinc/21/27/49/371212749.db2.gz VKZZNWBBHJIRRJ-UHFFFAOYSA-N 1 1 254.358 3.178 20 30 CGEDMO CN(C)[C@H]1CCC[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135214860 371401952 /nfs/dbraw/zinc/40/19/52/371401952.db2.gz OVSYPUCWANGFDI-INIZCTEOSA-N 1 1 285.435 3.014 20 30 CGEDMO CN(C)[C@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135214860 371401956 /nfs/dbraw/zinc/40/19/56/371401956.db2.gz OVSYPUCWANGFDI-INIZCTEOSA-N 1 1 285.435 3.014 20 30 CGEDMO COc1cc([C@H](C)[NH2+]Cc2ccc(C#N)s2)c(F)cn1 ZINC000421894957 371702287 /nfs/dbraw/zinc/70/22/87/371702287.db2.gz YEYZZFJOAFIFDH-VIFPVBQESA-N 1 1 291.351 3.013 20 30 CGEDMO CCC(CC)C[N@@H+](CC)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000153883139 371795583 /nfs/dbraw/zinc/79/55/83/371795583.db2.gz KQBBAOWGMQKWBK-PBHICJAKSA-N 1 1 295.471 3.187 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](Cc1cccc(OC)c1)CC(C)C ZINC000036100102 541859731 /nfs/dbraw/zinc/85/97/31/541859731.db2.gz BKZIBZHSXXBOBQ-KRWDZBQOSA-N 1 1 291.435 3.480 20 30 CGEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1ccc(F)cc1 ZINC000344061703 217032819 /nfs/dbraw/zinc/03/28/19/217032819.db2.gz BBHAODHFQFOTIV-UHFFFAOYSA-N 1 1 298.361 3.346 20 30 CGEDMO C=CC[N@H+](C)Cc1c(C)nn(-c2ccc(F)cc2F)c1C ZINC000154776357 371878186 /nfs/dbraw/zinc/87/81/86/371878186.db2.gz RCZXIPMXUPIOFV-UHFFFAOYSA-N 1 1 291.345 3.385 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000154786782 371878461 /nfs/dbraw/zinc/87/84/61/371878461.db2.gz BPRKDYLNIYQDFT-UHFFFAOYSA-N 1 1 272.304 3.473 20 30 CGEDMO CC#CCC[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000155982019 371956872 /nfs/dbraw/zinc/95/68/72/371956872.db2.gz PXKSFACLCZSYBR-SFHVURJKSA-N 1 1 271.404 3.124 20 30 CGEDMO CC(C)C[C@@H](C[NH3+])N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000423272904 372046934 /nfs/dbraw/zinc/04/69/34/372046934.db2.gz ZPPMOZJNRJKSIV-WMZOPIPTSA-N 1 1 285.435 3.289 20 30 CGEDMO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NCc2ccc(C#N)o2)C1 ZINC000344188944 217090589 /nfs/dbraw/zinc/09/05/89/217090589.db2.gz LYYVIPJNTTXPOW-HOCLYGCPSA-N 1 1 295.386 3.076 20 30 CGEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NCc2ccc(C#N)o2)C1 ZINC000344188944 217090591 /nfs/dbraw/zinc/09/05/91/217090591.db2.gz LYYVIPJNTTXPOW-HOCLYGCPSA-N 1 1 295.386 3.076 20 30 CGEDMO C=CCCCCCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000291008640 372092584 /nfs/dbraw/zinc/09/25/84/372092584.db2.gz WPZUIOGGNYWZML-HNNXBMFYSA-N 1 1 289.423 3.007 20 30 CGEDMO CCC[N@H+]1CC[C@@H](CNc2nc(C)c(C#N)cc2Cl)C1 ZINC000291031554 372099351 /nfs/dbraw/zinc/09/93/51/372099351.db2.gz XFAIWTAONRDTSY-LBPRGKRZSA-N 1 1 292.814 3.059 20 30 CGEDMO C=C[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000428050786 372178684 /nfs/dbraw/zinc/17/86/84/372178684.db2.gz TXTIDBXUMNZZDM-MAUKXSAKSA-N 1 1 298.430 3.000 20 30 CGEDMO C=CC[N@H+](C[C@H](O)c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000291163320 372130181 /nfs/dbraw/zinc/13/01/81/372130181.db2.gz MHKWIDPAQMRRSK-AWEZNQCLSA-N 1 1 285.309 3.389 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCCCC#N)[C@@H]1C(=O)OC(C)(C)C ZINC000425525381 372130582 /nfs/dbraw/zinc/13/05/82/372130582.db2.gz TZIQOJQIXMGEFQ-KGLIPLIRSA-N 1 1 280.412 3.122 20 30 CGEDMO C[N@H+](CCOc1ccccc1)Cc1cccc(F)c1C#N ZINC000428464653 372211857 /nfs/dbraw/zinc/21/18/57/372211857.db2.gz UQSOAAUYNIYSJK-UHFFFAOYSA-N 1 1 284.334 3.208 20 30 CGEDMO C[N@@H+](CCOc1ccccc1)Cc1cccc(F)c1C#N ZINC000428464653 372211863 /nfs/dbraw/zinc/21/18/63/372211863.db2.gz UQSOAAUYNIYSJK-UHFFFAOYSA-N 1 1 284.334 3.208 20 30 CGEDMO CSC[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000292892399 372240174 /nfs/dbraw/zinc/24/01/74/372240174.db2.gz ZEFWIBRIRMYMRL-NSHDSACASA-N 1 1 266.435 3.195 20 30 CGEDMO CC1(C)CC[N@H+](Cc2cccc(F)c2C#N)CCS1 ZINC000428957061 372291250 /nfs/dbraw/zinc/29/12/50/372291250.db2.gz RRXKWFGQWSHHKJ-UHFFFAOYSA-N 1 1 278.396 3.415 20 30 CGEDMO CC1(C)CC[N@@H+](Cc2cccc(F)c2C#N)CCS1 ZINC000428957061 372291252 /nfs/dbraw/zinc/29/12/52/372291252.db2.gz RRXKWFGQWSHHKJ-UHFFFAOYSA-N 1 1 278.396 3.415 20 30 CGEDMO CC1CCC(C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000428813432 372265498 /nfs/dbraw/zinc/26/54/98/372265498.db2.gz DCMVHHCOBIGIHL-DQPZFDDXSA-N 1 1 299.418 3.233 20 30 CGEDMO CC(C)[N@@H+](CC(=O)NC1(C#N)CCC1)[C@@H](C)c1ccccc1 ZINC000428863409 372272822 /nfs/dbraw/zinc/27/28/22/372272822.db2.gz QALUGBCLLXAGBZ-HNNXBMFYSA-N 1 1 299.418 3.020 20 30 CGEDMO CC[N@H+](Cc1ccc(O)c2nc(C)ccc12)C[C@@H](C)C#N ZINC000429691331 372375215 /nfs/dbraw/zinc/37/52/15/372375215.db2.gz VYGVPSGGNSGQHZ-LBPRGKRZSA-N 1 1 283.375 3.230 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](C)Cc2ccco2)c1 ZINC000162150102 372377213 /nfs/dbraw/zinc/37/72/13/372377213.db2.gz RNPPOTBRGXPVQR-UHFFFAOYSA-N 1 1 257.333 3.476 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)Cc1ccc(OC)c(Cl)c1 ZINC000429714590 372377997 /nfs/dbraw/zinc/37/79/97/372377997.db2.gz LEYTUQQFWUHAPN-UHFFFAOYSA-N 1 1 296.842 3.288 20 30 CGEDMO C=CCN(C)CC[N@@H+](CC)Cc1ccc(OC)c(Cl)c1 ZINC000429714590 372378003 /nfs/dbraw/zinc/37/80/03/372378003.db2.gz LEYTUQQFWUHAPN-UHFFFAOYSA-N 1 1 296.842 3.288 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)Cc1ccc(OC)c(Cl)c1 ZINC000429714590 372378009 /nfs/dbraw/zinc/37/80/09/372378009.db2.gz LEYTUQQFWUHAPN-UHFFFAOYSA-N 1 1 296.842 3.288 20 30 CGEDMO C[C@@H](Nc1[nH+]c2ccc(F)cc2n1C)c1ccc(C#N)cc1 ZINC000431034444 372419919 /nfs/dbraw/zinc/41/99/19/372419919.db2.gz WXEWTBIBTYSZES-LLVKDONJSA-N 1 1 294.333 3.179 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCSCC2)c(Cl)c1 ZINC000162876253 372430772 /nfs/dbraw/zinc/43/07/72/372430772.db2.gz GEAOGOJTMIUMHV-UHFFFAOYSA-N 1 1 266.797 3.151 20 30 CGEDMO C=CC[NH+](CC=C)CC(=O)N[C@H](C)c1ccccc1Cl ZINC000052869450 541876107 /nfs/dbraw/zinc/87/61/07/541876107.db2.gz UXHNQRPTNLYGEH-CYBMUJFWSA-N 1 1 292.810 3.191 20 30 CGEDMO CC1CC[NH+](CCCN[C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353428612 220077798 /nfs/dbraw/zinc/07/77/98/220077798.db2.gz SAPWPFSXACFFNS-IBGZPJMESA-N 1 1 297.446 3.257 20 30 CGEDMO C=CCC[C@H](NC(=O)C[N@H+](C)CCC)c1ccccc1 ZINC000435720733 372797299 /nfs/dbraw/zinc/79/72/99/372797299.db2.gz CZHWHWLOGMNWMD-INIZCTEOSA-N 1 1 274.408 3.152 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](C)CC2(N(C)C)CCC2)c1 ZINC000438485559 372961379 /nfs/dbraw/zinc/96/13/79/372961379.db2.gz MDTVVCLRFSTGFB-UHFFFAOYSA-N 1 1 288.435 3.168 20 30 CGEDMO C=CCOc1cccc(C[N@H+](C)CC2(N(C)C)CCC2)c1 ZINC000438485559 372961387 /nfs/dbraw/zinc/96/13/87/372961387.db2.gz MDTVVCLRFSTGFB-UHFFFAOYSA-N 1 1 288.435 3.168 20 30 CGEDMO Clc1ccccc1C#CC[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000441243640 373000377 /nfs/dbraw/zinc/00/03/77/373000377.db2.gz AOTFJAQEVXPNEU-UHFFFAOYSA-N 1 1 299.805 3.294 20 30 CGEDMO CC(C)c1ncc(C[N@@H+](C)CCCC(C)(C)C#N)cn1 ZINC000440478836 372985831 /nfs/dbraw/zinc/98/58/31/372985831.db2.gz DDMKEDVGFHAOBR-UHFFFAOYSA-N 1 1 274.412 3.362 20 30 CGEDMO CC1(C)C[C@@H](O)CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000296209735 373053684 /nfs/dbraw/zinc/05/36/84/373053684.db2.gz VPWDUIDINWNKMO-INIZCTEOSA-N 1 1 291.822 3.174 20 30 CGEDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CCCCC(C)(C)C#N ZINC000444684225 373234561 /nfs/dbraw/zinc/23/45/61/373234561.db2.gz IVFCSTJOFJIXAM-KFWWJZLASA-N 1 1 266.429 3.188 20 30 CGEDMO CC(C)[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000444748193 373259045 /nfs/dbraw/zinc/25/90/45/373259045.db2.gz HIWWXIYMXHXGMV-ZBFHGGJFSA-N 1 1 299.418 3.253 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](C(C)C)C1 ZINC000444773914 373270102 /nfs/dbraw/zinc/27/01/02/373270102.db2.gz UALXRFKYHCSWMZ-OAHLLOKOSA-N 1 1 272.392 3.435 20 30 CGEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNCc2ccc(C#N)o2)C1 ZINC000174376208 373301995 /nfs/dbraw/zinc/30/19/95/373301995.db2.gz HMEXRBICNUKDGI-AWEZNQCLSA-N 1 1 289.423 3.141 20 30 CGEDMO CC[C@H]1CCCN(C(C)(C)C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000174376208 373302005 /nfs/dbraw/zinc/30/20/05/373302005.db2.gz HMEXRBICNUKDGI-AWEZNQCLSA-N 1 1 289.423 3.141 20 30 CGEDMO C#CC(C)(C)[N@H+](C)CCC(=O)Nc1ccccc1SC ZINC000298463580 373333694 /nfs/dbraw/zinc/33/36/94/373333694.db2.gz IEPCMPZHWASDDR-UHFFFAOYSA-N 1 1 290.432 3.081 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c(F)c1 ZINC000298746945 373397417 /nfs/dbraw/zinc/39/74/17/373397417.db2.gz DMJAXVZMQXAZIG-MRXNPFEDSA-N 1 1 269.323 3.363 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)c(F)c1 ZINC000298746945 373397425 /nfs/dbraw/zinc/39/74/25/373397425.db2.gz DMJAXVZMQXAZIG-MRXNPFEDSA-N 1 1 269.323 3.363 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000448723789 373636913 /nfs/dbraw/zinc/63/69/13/373636913.db2.gz IYDYTKMYMRQQTM-HZPDHXFCSA-N 1 1 290.451 3.256 20 30 CGEDMO CCCC(N)=[NH+]OCc1ccc(SC(=O)N(C)C)cc1 ZINC000176862417 373637282 /nfs/dbraw/zinc/63/72/82/373637282.db2.gz AJQUYPTYVIWVJL-UHFFFAOYSA-N 1 1 295.408 3.049 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000449242607 373674481 /nfs/dbraw/zinc/67/44/81/373674481.db2.gz GJPHBJJJGVTLLN-OAHLLOKOSA-N 1 1 286.354 3.008 20 30 CGEDMO N#Cc1ccc(NC[C@@H]2CCC[N@H+]2CC2CCCCC2)nc1 ZINC000301165603 373680564 /nfs/dbraw/zinc/68/05/64/373680564.db2.gz HISSHZHMNJOGJA-KRWDZBQOSA-N 1 1 298.434 3.410 20 30 CGEDMO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000177505948 373688853 /nfs/dbraw/zinc/68/88/53/373688853.db2.gz KKFZYHRQURXXHU-QGZVFWFLSA-N 1 1 283.350 3.373 20 30 CGEDMO Cn1cccc1[C@H]1CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000177505948 373688858 /nfs/dbraw/zinc/68/88/58/373688858.db2.gz KKFZYHRQURXXHU-QGZVFWFLSA-N 1 1 283.350 3.373 20 30 CGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000177561124 373689845 /nfs/dbraw/zinc/68/98/45/373689845.db2.gz ZCBIYQZQTJDXFY-CWRNSKLLSA-N 1 1 297.402 3.007 20 30 CGEDMO N#CCCCOc1cccc(C[N@H+]2CC[C@H]2C2CC2)c1 ZINC000449424778 373699021 /nfs/dbraw/zinc/69/90/21/373699021.db2.gz FYXCBLLUYYTCRC-KRWDZBQOSA-N 1 1 270.376 3.353 20 30 CGEDMO C=CCOc1ccccc1C[N@H+](C)[C@@H](CO)c1ccccc1 ZINC000449449148 373728696 /nfs/dbraw/zinc/72/86/96/373728696.db2.gz CALCPTJCCBBPHX-SFHVURJKSA-N 1 1 297.398 3.417 20 30 CGEDMO COC[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccccc1 ZINC000178790597 373810326 /nfs/dbraw/zinc/81/03/26/373810326.db2.gz RECNZUAMBKFNNM-KRWDZBQOSA-N 1 1 284.334 3.175 20 30 CGEDMO N#Cc1ccc(N2CC[NH+](Cc3cccc(F)c3)CC2)cc1 ZINC000301710284 373799127 /nfs/dbraw/zinc/79/91/27/373799127.db2.gz KAZUKRSAGMXKNP-UHFFFAOYSA-N 1 1 295.361 3.020 20 30 CGEDMO Cc1ccc(NCCC[N@H+](C)C2CCCCC2)nc1C#N ZINC000302729991 373944812 /nfs/dbraw/zinc/94/48/12/373944812.db2.gz VEHJDNIKEXIXAN-UHFFFAOYSA-N 1 1 286.423 3.328 20 30 CGEDMO C=CCC1(C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)CCCC1 ZINC000449803789 373932441 /nfs/dbraw/zinc/93/24/41/373932441.db2.gz MEYHJZWTCZFBJE-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC1(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)CCCC1 ZINC000449803791 373933121 /nfs/dbraw/zinc/93/31/21/373933121.db2.gz MEYHJZWTCZFBJE-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC1(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CCCCC1 ZINC000449987080 373979889 /nfs/dbraw/zinc/97/98/89/373979889.db2.gz PRKDGAGGQVVNOG-HZPDHXFCSA-N 1 1 292.467 3.454 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNc2c(C#N)cccc2C#N)C1 ZINC000302861184 373986550 /nfs/dbraw/zinc/98/65/50/373986550.db2.gz VBQJZXHREANSPL-GASCZTMLSA-N 1 1 296.418 3.210 20 30 CGEDMO COCC[N@H+](CC1(C#N)CCC1)[C@@H](C)c1ccccc1 ZINC000450311539 374053290 /nfs/dbraw/zinc/05/32/90/374053290.db2.gz DJLFDEHUTXSZNS-HNNXBMFYSA-N 1 1 272.392 3.390 20 30 CGEDMO COCC[N@@H+](CC1(C#N)CCC1)[C@@H](C)c1ccccc1 ZINC000450311539 374053292 /nfs/dbraw/zinc/05/32/92/374053292.db2.gz DJLFDEHUTXSZNS-HNNXBMFYSA-N 1 1 272.392 3.390 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H]([C@@H](C)O)C2)cc1Cl ZINC000180864625 374054727 /nfs/dbraw/zinc/05/47/27/374054727.db2.gz LVXXLOKFLQDVPM-OCCSQVGLSA-N 1 1 295.810 3.108 20 30 CGEDMO C[C@@H](NCC(C)(C)[NH+]1CCCCC1)c1cccc(C#N)c1 ZINC000181395876 374117706 /nfs/dbraw/zinc/11/77/06/374117706.db2.gz YZCGBZXZPRAKLO-OAHLLOKOSA-N 1 1 285.435 3.473 20 30 CGEDMO C[C@@H]1C[C@@H](N[C@@H](CCC#N)c2ccccc2)CC[N@H+]1C ZINC000181574812 374141770 /nfs/dbraw/zinc/14/17/70/374141770.db2.gz JQMIHSWCZRFBMK-PVAVHDDUSA-N 1 1 271.408 3.104 20 30 CGEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)CC2(C#N)CCC2)C1 ZINC000450457831 374144585 /nfs/dbraw/zinc/14/45/85/374144585.db2.gz SLISRUJUWFFWAV-QWHCGFSZSA-N 1 1 252.427 3.286 20 30 CGEDMO N#CC1(C[N@H+](CCCO)[C@H]2CCc3ccccc32)CCC1 ZINC000450466099 374148904 /nfs/dbraw/zinc/14/89/04/374148904.db2.gz FYHAFWLIUXMVGG-KRWDZBQOSA-N 1 1 284.403 3.052 20 30 CGEDMO CCO[C@H]1C[C@H]([N@@H+](C)CC2(C#N)CCC2)C12CCCC2 ZINC000450571795 374162028 /nfs/dbraw/zinc/16/20/28/374162028.db2.gz SNGNTIBGARLLDN-GJZGRUSLSA-N 1 1 276.424 3.350 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CCC1)c1cccc(N2CCCC2=O)c1 ZINC000450666481 374168779 /nfs/dbraw/zinc/16/87/79/374168779.db2.gz IIZXCEZKLOIZFV-CQSZACIVSA-N 1 1 297.402 3.158 20 30 CGEDMO Cc1ccc(C[N@@H+](CCO)CCCC(C)(C)C#N)cc1 ZINC000181962217 374196246 /nfs/dbraw/zinc/19/62/46/374196246.db2.gz XEMULTXOBVCXHM-UHFFFAOYSA-N 1 1 274.408 3.119 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)c(OC)c1)CC(C)C ZINC000311419120 374240891 /nfs/dbraw/zinc/24/08/91/374240891.db2.gz KITZZANTQOJUTB-UHFFFAOYSA-N 1 1 260.381 3.435 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000182644896 374303530 /nfs/dbraw/zinc/30/35/30/374303530.db2.gz YEHRGVJILPFYFT-XQLPTFJDSA-N 1 1 266.429 3.109 20 30 CGEDMO COc1cccc2c1CC[N@@H+](CCCC(C)(C)C#N)C2 ZINC000182687279 374314908 /nfs/dbraw/zinc/31/49/08/374314908.db2.gz WKWBVXICEJGYBF-UHFFFAOYSA-N 1 1 272.392 3.383 20 30 CGEDMO CC1=CC[N@@H+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000328778065 374382327 /nfs/dbraw/zinc/38/23/27/374382327.db2.gz DHGQJTYBMKCEAI-UHFFFAOYSA-N 1 1 275.377 3.250 20 30 CGEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@@H](CO)c1ccsc1 ZINC000329372542 374406595 /nfs/dbraw/zinc/40/65/95/374406595.db2.gz JJVRTQMNLZKSKR-KGLIPLIRSA-N 1 1 296.436 3.003 20 30 CGEDMO Cc1cc(C[NH2+]Cc2ccc(C#N)o2)ccc1Cl ZINC000184335452 374515082 /nfs/dbraw/zinc/51/50/82/374515082.db2.gz PGGXQXUDDTZNQM-UHFFFAOYSA-N 1 1 260.724 3.403 20 30 CGEDMO CC[C@]1(C)CCC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000464781891 374899468 /nfs/dbraw/zinc/89/94/68/374899468.db2.gz WPDLFAZPLXVUKY-QGZVFWFLSA-N 1 1 272.392 3.449 20 30 CGEDMO Cc1cc(C[N@H+]2CC[C@H](C)C[C@@H]2C(N)=O)ccc1C#N ZINC000334552078 374848947 /nfs/dbraw/zinc/84/89/47/374848947.db2.gz DKDYCGXUUGODNW-XHDPSFHLSA-N 1 1 271.364 3.002 20 30 CGEDMO Cc1cc(C[N@@H+]2CC[C@H](C)C[C@@H]2C(N)=O)ccc1C#N ZINC000334552078 374848954 /nfs/dbraw/zinc/84/89/54/374848954.db2.gz DKDYCGXUUGODNW-XHDPSFHLSA-N 1 1 271.364 3.002 20 30 CGEDMO C[C@@H](CN1CCCCCC1)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000186728643 374905933 /nfs/dbraw/zinc/90/59/33/374905933.db2.gz YRVNOWRUOQZROL-HOTGVXAUSA-N 1 1 285.435 3.473 20 30 CGEDMO C[C@H]1C[C@@H](N(C)Cc2ccc(Cl)cc2C#N)CC[N@H+]1C ZINC000187119819 374975677 /nfs/dbraw/zinc/97/56/77/374975677.db2.gz RZWJWYMQUMMCNY-LRDDRELGSA-N 1 1 291.826 3.126 20 30 CGEDMO C[C@H]([NH2+]CC#Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000467867100 374977662 /nfs/dbraw/zinc/97/76/62/374977662.db2.gz NOQPMOSVLRASDB-AWEZNQCLSA-N 1 1 280.327 3.297 20 30 CGEDMO C=CCOCCCN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000470721229 374998612 /nfs/dbraw/zinc/99/86/12/374998612.db2.gz BRRDCPNKWUPAOR-UHFFFAOYSA-N 1 1 294.483 3.167 20 30 CGEDMO C=CCCCCNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000471703453 375006282 /nfs/dbraw/zinc/00/62/82/375006282.db2.gz VPHRKNNIMWOXMS-MRXNPFEDSA-N 1 1 274.408 3.152 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000472576928 375025020 /nfs/dbraw/zinc/02/50/20/375025020.db2.gz IWDCNMXHENQHCV-BBWFWOEESA-N 1 1 273.420 3.500 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H](O)CSC ZINC000187803247 375099035 /nfs/dbraw/zinc/09/90/35/375099035.db2.gz HSUVROMYVITMQU-SNVBAGLBSA-N 1 1 291.869 3.113 20 30 CGEDMO CC(C)C[C@@H](CO)[N@@H+](C)CC#Cc1ccccc1Cl ZINC000481423336 375165820 /nfs/dbraw/zinc/16/58/20/375165820.db2.gz MUIUYCCPQMPNGH-HNNXBMFYSA-N 1 1 279.811 3.030 20 30 CGEDMO COCC[N@@H+](CC#Cc1ccc(F)cc1)[C@@H]1CC[C@H](C)C1 ZINC000484871227 375188445 /nfs/dbraw/zinc/18/84/45/375188445.db2.gz MINVMXQZZAOYQP-MAUKXSAKSA-N 1 1 289.394 3.314 20 30 CGEDMO C=CC[N@@H+](CCOC)CCc1c(F)cccc1Cl ZINC000484670233 375189515 /nfs/dbraw/zinc/18/95/15/375189515.db2.gz IJEQWGLYUUYEHI-UHFFFAOYSA-N 1 1 271.763 3.156 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000335235790 375253095 /nfs/dbraw/zinc/25/30/95/375253095.db2.gz AROGVJVCDMCUKK-INIZCTEOSA-N 1 1 290.794 3.214 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000335235790 375253100 /nfs/dbraw/zinc/25/31/00/375253100.db2.gz AROGVJVCDMCUKK-INIZCTEOSA-N 1 1 290.794 3.214 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000487916131 375285025 /nfs/dbraw/zinc/28/50/25/375285025.db2.gz PZQGPWKYPJCEOY-VXGBXAGGSA-N 1 1 265.319 3.120 20 30 CGEDMO N#CCC1CC[NH+](Cc2nc3cc(F)ccc3o2)CC1 ZINC000335440759 375295007 /nfs/dbraw/zinc/29/50/07/375295007.db2.gz SCQAOYXRIDBJKP-UHFFFAOYSA-N 1 1 273.311 3.093 20 30 CGEDMO CC1=C(c2ccco2)C[N@H+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000335767438 375413228 /nfs/dbraw/zinc/41/32/28/375413228.db2.gz MPMXVBCUSJCTKV-KGLIPLIRSA-N 1 1 256.349 3.451 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)cs1)CC1(O)CCCCCC1 ZINC000190140705 375480982 /nfs/dbraw/zinc/48/09/82/375480982.db2.gz ZLFBQNRCOPQUJV-UHFFFAOYSA-N 1 1 278.421 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000496771321 375555204 /nfs/dbraw/zinc/55/52/04/375555204.db2.gz CHSPWYGWDFOCPB-ZIAGYGMSSA-N 1 1 282.428 3.330 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(OC)cc2c1O[C@@H](C)C2 ZINC000505842755 375662372 /nfs/dbraw/zinc/66/23/72/375662372.db2.gz PNIQOOXAKMLMCI-ZDUSSCGKSA-N 1 1 275.392 3.417 20 30 CGEDMO CCc1cc(OC)ccc1C[N@H+](CC)C[C@H](C)C#N ZINC000503953379 375653240 /nfs/dbraw/zinc/65/32/40/375653240.db2.gz OODVXDXZXSJHAJ-CYBMUJFWSA-N 1 1 260.381 3.239 20 30 CGEDMO CCc1cc(OC)ccc1C[N@@H+](CC)C[C@H](C)C#N ZINC000503953379 375653242 /nfs/dbraw/zinc/65/32/42/375653242.db2.gz OODVXDXZXSJHAJ-CYBMUJFWSA-N 1 1 260.381 3.239 20 30 CGEDMO C=CC[N@@H+](CCOC)Cc1cnc(-c2ccccc2)s1 ZINC000191757306 375659786 /nfs/dbraw/zinc/65/97/86/375659786.db2.gz CPFZMHLXNFIXND-UHFFFAOYSA-N 1 1 288.416 3.445 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cnc(-c2ccccc2)s1 ZINC000191757306 375659790 /nfs/dbraw/zinc/65/97/90/375659790.db2.gz CPFZMHLXNFIXND-UHFFFAOYSA-N 1 1 288.416 3.445 20 30 CGEDMO C=C(C)C[N@@H+](CC(N)=O)[C@H](C)c1ccc(CCC)cc1 ZINC000505881717 375663929 /nfs/dbraw/zinc/66/39/29/375663929.db2.gz QYTVELCMYYOWLT-CQSZACIVSA-N 1 1 274.408 3.064 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)C(C1CC1)C1CC1 ZINC000191974260 375686345 /nfs/dbraw/zinc/68/63/45/375686345.db2.gz JPLFDIDDZKFJKW-UHFFFAOYSA-N 1 1 258.340 3.318 20 30 CGEDMO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192080236 375696255 /nfs/dbraw/zinc/69/62/55/375696255.db2.gz UYEXUMFHMGEBDO-KRWDZBQOSA-N 1 1 283.350 3.373 20 30 CGEDMO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192080236 375696264 /nfs/dbraw/zinc/69/62/64/375696264.db2.gz UYEXUMFHMGEBDO-KRWDZBQOSA-N 1 1 283.350 3.373 20 30 CGEDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192076829 375697137 /nfs/dbraw/zinc/69/71/37/375697137.db2.gz MUIHOUVJBOUFDC-CYBMUJFWSA-N 1 1 298.361 3.466 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](CN(CC)CC(F)(F)F)C1 ZINC000509686003 375782066 /nfs/dbraw/zinc/78/20/66/375782066.db2.gz DRZNLYUVZDYKOK-CYBMUJFWSA-N 1 1 278.362 3.159 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000509848931 375783883 /nfs/dbraw/zinc/78/38/83/375783883.db2.gz IVSBPWJQGRBSKV-UHFFFAOYSA-N 1 1 276.399 3.300 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)ccc1F)CC1(O)CCCCCC1 ZINC000192932163 375804415 /nfs/dbraw/zinc/80/44/15/375804415.db2.gz TVIJYLHHWMAPJI-UHFFFAOYSA-N 1 1 290.382 3.214 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2Cc3ccccc3C3(CC3)C2)C1 ZINC000336573653 375842572 /nfs/dbraw/zinc/84/25/72/375842572.db2.gz VCKBYBNXNXQKGP-HIFRSBDPSA-N 1 1 252.361 3.226 20 30 CGEDMO Cc1ccccc1OCCC[N@H+](C)CC(C)(C)C#N ZINC000519814832 375851140 /nfs/dbraw/zinc/85/11/40/375851140.db2.gz HCOXTUMFZRLDNW-UHFFFAOYSA-N 1 1 260.381 3.246 20 30 CGEDMO C=CCCC1(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC000526992554 375890849 /nfs/dbraw/zinc/89/08/49/375890849.db2.gz SMHURFMOSKOTJQ-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO N#CC1(C[C@H](O)C[N@H+]2CCCC3(CCCCC3)C2)CC1 ZINC000528377397 375900115 /nfs/dbraw/zinc/90/01/15/375900115.db2.gz FTWJZLZIMVENKY-HNNXBMFYSA-N 1 1 276.424 3.087 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC000528720351 375908490 /nfs/dbraw/zinc/90/84/90/375908490.db2.gz OSXPSXXQAUKQPY-ZDUSSCGKSA-N 1 1 299.336 3.391 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)N1CCCCCC1 ZINC000533427475 375954869 /nfs/dbraw/zinc/95/48/69/375954869.db2.gz WVAJWVIYSZVEBM-MRXNPFEDSA-N 1 1 280.456 3.456 20 30 CGEDMO CC[N@@H+](CCC[C@H](C)O)[C@H](C)c1ccc(C#N)cc1 ZINC000336817417 375972711 /nfs/dbraw/zinc/97/27/11/375972711.db2.gz QGZVUEMEQQNMDW-UONOGXRCSA-N 1 1 260.381 3.102 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1cc(OC)cc(C(F)(F)F)c1 ZINC000529545767 375928247 /nfs/dbraw/zinc/92/82/47/375928247.db2.gz ZYQMDOSOIHUBQO-LBPRGKRZSA-N 1 1 286.297 3.496 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc(OCC)c(OC)cc1F ZINC000529558586 375928398 /nfs/dbraw/zinc/92/83/98/375928398.db2.gz UOGDNFNLJHZWLM-UHFFFAOYSA-N 1 1 267.344 3.241 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000532378904 375950957 /nfs/dbraw/zinc/95/09/57/375950957.db2.gz LZPQNHWDNZHIFI-ZDUSSCGKSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)c2ccc(C)cc2C)C1=O ZINC000337129393 376089302 /nfs/dbraw/zinc/08/93/02/376089302.db2.gz IODCDZLUZUJJQD-NVXWUHKLSA-N 1 1 286.419 3.083 20 30 CGEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)c2cc3ccccc3o2)C1=O ZINC000337136412 376092779 /nfs/dbraw/zinc/09/27/79/376092779.db2.gz ONEZXZDEYQAKPU-UKRRQHHQSA-N 1 1 298.386 3.213 20 30 CGEDMO CC[N@@H+](CCCC1(C#N)CCOCC1)[C@@H](C)C(C)C ZINC000337138245 376093949 /nfs/dbraw/zinc/09/39/49/376093949.db2.gz OVARXIJELKNBFD-HNNXBMFYSA-N 1 1 266.429 3.453 20 30 CGEDMO C[N@@H+](CCCC1(C#N)CCOCC1)C1CCCCC1 ZINC000337137441 376094241 /nfs/dbraw/zinc/09/42/41/376094241.db2.gz PLURHHUCSLXAMU-UHFFFAOYSA-N 1 1 264.413 3.351 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2c2ccc(C)cc2)C1=O ZINC000337184773 376121969 /nfs/dbraw/zinc/12/19/69/376121969.db2.gz OBFMPIHLZPWAIK-MSOLQXFVSA-N 1 1 298.430 3.309 20 30 CGEDMO CC[N@@H+](CCCC1(C#N)CCOCC1)CCC1CC1 ZINC000337207327 376137203 /nfs/dbraw/zinc/13/72/03/376137203.db2.gz OJZDTKOUVTXLIR-UHFFFAOYSA-N 1 1 264.413 3.209 20 30 CGEDMO C[C@@H]1C[N@@H+](CC2(C#N)CC2)CC[C@@H]1c1ccccc1 ZINC000537255331 376157781 /nfs/dbraw/zinc/15/77/81/376157781.db2.gz STRXZSSAWSFCOY-ZBFHGGJFSA-N 1 1 254.377 3.416 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cc(OC)cc2c1O[C@H](C)C2 ZINC000537635694 376187328 /nfs/dbraw/zinc/18/73/28/376187328.db2.gz MGSXFSWZUDBSMM-CYBMUJFWSA-N 1 1 275.392 3.417 20 30 CGEDMO C=CC[N@H+](CCOCC(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000337342079 376214320 /nfs/dbraw/zinc/21/43/20/376214320.db2.gz VTLHVSHPJBHHHM-UHFFFAOYSA-N 1 1 292.379 3.255 20 30 CGEDMO C=CCCc1ccccc1NC(=O)c1cc(C[NH+](C)C)on1 ZINC000337561451 376228613 /nfs/dbraw/zinc/22/86/13/376228613.db2.gz STJCTWQSNAAMHE-UHFFFAOYSA-N 1 1 299.374 3.107 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000538285686 376230372 /nfs/dbraw/zinc/23/03/72/376230372.db2.gz ILHONMRKOFYVIL-PMPSAXMXSA-N 1 1 295.471 3.151 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000538285670 376230502 /nfs/dbraw/zinc/23/05/02/376230502.db2.gz ILHONMRKOFYVIL-HRCADAONSA-N 1 1 295.471 3.151 20 30 CGEDMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC000538957574 376281377 /nfs/dbraw/zinc/28/13/77/376281377.db2.gz JRMXXXYHUXTGKE-OCCSQVGLSA-N 1 1 286.375 3.108 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)CC(C)(C)OC)cc1 ZINC000538827166 376274901 /nfs/dbraw/zinc/27/49/01/376274901.db2.gz MAJPKFWLMJKTFN-UHFFFAOYSA-N 1 1 263.381 3.108 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000539887702 376346073 /nfs/dbraw/zinc/34/60/73/376346073.db2.gz UUMBJNVNGQXWTL-XEZPLFJOSA-N 1 1 277.383 3.460 20 30 CGEDMO C[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000540426027 376374839 /nfs/dbraw/zinc/37/48/39/376374839.db2.gz RKYRSWHXYXIGMD-CYBMUJFWSA-N 1 1 298.317 3.436 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000227272458 376386550 /nfs/dbraw/zinc/38/65/50/376386550.db2.gz BMZFQCMWVJJSAZ-GDBMZVCRSA-N 1 1 270.376 3.331 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000541388255 376445675 /nfs/dbraw/zinc/44/56/75/376445675.db2.gz ZLAXKWYAEWGDBH-CABCVRRESA-N 1 1 280.456 3.168 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC=C(c3ccncc3)C2)c1 ZINC000334303930 206337370 /nfs/dbraw/zinc/33/73/70/206337370.db2.gz GCIYPROWDVOXCL-UHFFFAOYSA-N 1 1 281.384 3.304 20 30 CGEDMO C[C@H]([NH2+][C@@H]1COc2ccc(F)cc21)c1cccc(C#N)c1 ZINC000334316262 206358027 /nfs/dbraw/zinc/35/80/27/206358027.db2.gz SFZVORZTGLCPJI-MEDUHNTESA-N 1 1 282.318 3.482 20 30 CGEDMO C[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1c(F)cccc1F ZINC000232314785 376579567 /nfs/dbraw/zinc/57/95/67/376579567.db2.gz HXVQXEMSDRDYNY-JTQLQIEISA-N 1 1 275.302 3.026 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@](F)(c3ccccc3F)C2)C1 ZINC000339174262 376725985 /nfs/dbraw/zinc/72/59/85/376725985.db2.gz GJALVHOKAGKWBH-DVOMOZLQSA-N 1 1 276.330 3.388 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@](F)(c3ccccc3F)C2)C1 ZINC000339174262 376725990 /nfs/dbraw/zinc/72/59/90/376725990.db2.gz GJALVHOKAGKWBH-DVOMOZLQSA-N 1 1 276.330 3.388 20 30 CGEDMO CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000264502003 190114717 /nfs/dbraw/zinc/11/47/17/190114717.db2.gz YCYKAJWWFUWUMH-LJQANCHMSA-N 1 1 294.398 3.331 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000544440126 376737131 /nfs/dbraw/zinc/73/71/31/376737131.db2.gz UKUCQOKWYIASBB-KKUMJFAQSA-N 1 1 253.430 3.460 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@@H](CC3CC3)C2)ccc1F ZINC000339678570 376804963 /nfs/dbraw/zinc/80/49/63/376804963.db2.gz HYZGDQARJOFVAC-AWEZNQCLSA-N 1 1 258.340 3.319 20 30 CGEDMO N#Cc1cccc(OCC[N@H+]2CC[C@@H](CC3CC3)C2)c1 ZINC000339671976 376799666 /nfs/dbraw/zinc/79/96/66/376799666.db2.gz KOVXDKPILHJPRE-INIZCTEOSA-N 1 1 270.376 3.059 20 30 CGEDMO C[C@H]1C[N@@H+](CCCSCC#N)[C@@H](c2ccccc2)CO1 ZINC000245482196 376830613 /nfs/dbraw/zinc/83/06/13/376830613.db2.gz DDKNARAULMUVTN-GOEBONIOSA-N 1 1 290.432 3.095 20 30 CGEDMO C=CCC[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000245923955 376936052 /nfs/dbraw/zinc/93/60/52/376936052.db2.gz HFXVNLBBQGGUAF-SOLBZPMBSA-N 1 1 294.483 3.210 20 30 CGEDMO CC(C)(CO)[C@@H]([NH2+]Cc1ccccc1C#N)c1ccccc1 ZINC000340200998 376946620 /nfs/dbraw/zinc/94/66/20/376946620.db2.gz HSMGNVRPJUDPBB-SFHVURJKSA-N 1 1 294.398 3.408 20 30 CGEDMO CC[C@H]1CCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000340676653 377209090 /nfs/dbraw/zinc/20/90/90/377209090.db2.gz BYTVZSYMRFWFOF-AWEZNQCLSA-N 1 1 253.349 3.185 20 30 CGEDMO CC[C@@H]1C[N@H+]([C@H](C)c2ccc(C#N)cc2)CCS1 ZINC000247707288 377236425 /nfs/dbraw/zinc/23/64/25/377236425.db2.gz ZFPDRUFZPYMVMI-IUODEOHRSA-N 1 1 260.406 3.447 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248628352 377369970 /nfs/dbraw/zinc/36/99/70/377369970.db2.gz PJOJXJASTMQYQG-XHSDSOJGSA-N 1 1 292.467 3.358 20 30 CGEDMO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1cn(-c2ccccc2)nn1 ZINC000248898610 377424789 /nfs/dbraw/zinc/42/47/89/377424789.db2.gz UFHOWUHYMZFMBI-RRFJBIMHSA-N 1 1 295.390 3.000 20 30 CGEDMO Cc1cc(C)c2c(c1)C[N@@H+](Cc1ccc(C#N)cn1)CC2 ZINC000563352166 377445103 /nfs/dbraw/zinc/44/51/03/377445103.db2.gz ALDWXZTZKGLSOQ-UHFFFAOYSA-N 1 1 277.371 3.128 20 30 CGEDMO Cc1cc(C)c2c(c1)C[N@H+](Cc1ccc(C#N)cn1)CC2 ZINC000563352166 377445114 /nfs/dbraw/zinc/44/51/14/377445114.db2.gz ALDWXZTZKGLSOQ-UHFFFAOYSA-N 1 1 277.371 3.128 20 30 CGEDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000563354930 377445471 /nfs/dbraw/zinc/44/54/71/377445471.db2.gz RQLBWZBZIVQVDU-BBRMVZONSA-N 1 1 257.381 3.354 20 30 CGEDMO N#C[C@@H]1CCC[C@@H](N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000248800126 377402001 /nfs/dbraw/zinc/40/20/01/377402001.db2.gz JOVBJMINIJTDKI-QRQLOZEOSA-N 1 1 297.446 3.495 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCSC[C@H](C)C1 ZINC000249110434 377465268 /nfs/dbraw/zinc/46/52/68/377465268.db2.gz VURJKPNKXKYPKJ-CHWSQXEVSA-N 1 1 260.406 3.304 20 30 CGEDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2C)[C@@H](C)C1 ZINC000249131777 377467992 /nfs/dbraw/zinc/46/79/92/377467992.db2.gz LTUZPOZMDJHCNJ-MAUKXSAKSA-N 1 1 285.435 3.029 20 30 CGEDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2C)[C@@H](C)C1 ZINC000249131777 377467996 /nfs/dbraw/zinc/46/79/96/377467996.db2.gz LTUZPOZMDJHCNJ-MAUKXSAKSA-N 1 1 285.435 3.029 20 30 CGEDMO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(C#N)cc2C)[C@@H](C)C1 ZINC000249131777 377468000 /nfs/dbraw/zinc/46/80/00/377468000.db2.gz LTUZPOZMDJHCNJ-MAUKXSAKSA-N 1 1 285.435 3.029 20 30 CGEDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C#N)cc2C)[C@@H](C)C1 ZINC000249131777 377468002 /nfs/dbraw/zinc/46/80/02/377468002.db2.gz LTUZPOZMDJHCNJ-MAUKXSAKSA-N 1 1 285.435 3.029 20 30 CGEDMO C=CCC1(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)CCC1 ZINC000564788347 377478791 /nfs/dbraw/zinc/47/87/91/377478791.db2.gz WQOWAFOUJKENLC-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000565172639 377484094 /nfs/dbraw/zinc/48/40/94/377484094.db2.gz MAAPACNVGOVLPU-KRWDZBQOSA-N 1 1 299.418 3.095 20 30 CGEDMO C[C@H]1C[C@H](Nc2cc(Cl)ccc2C#N)CC[N@H+]1C ZINC000090794957 249029593 /nfs/dbraw/zinc/02/95/93/249029593.db2.gz QZQLLSZCUOESOE-GXFFZTMASA-N 1 1 263.772 3.106 20 30 CGEDMO CC(C)(C)c1cnc(C[NH+]2CCC(CCC#N)CC2)o1 ZINC000567789699 377510226 /nfs/dbraw/zinc/51/02/26/377510226.db2.gz ATYJIWOPQYWVBZ-UHFFFAOYSA-N 1 1 275.396 3.488 20 30 CGEDMO C=CCCCCCNC(=O)CCn1cc[nH+]c1C(C)C ZINC000568223407 377515869 /nfs/dbraw/zinc/51/58/69/377515869.db2.gz NYBTVIKWLHWIBM-UHFFFAOYSA-N 1 1 277.412 3.259 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000570058855 377533139 /nfs/dbraw/zinc/53/31/39/377533139.db2.gz JIEMSLQHGABWFC-MRXNPFEDSA-N 1 1 260.356 3.497 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000570015891 377533222 /nfs/dbraw/zinc/53/32/22/377533222.db2.gz CEMLMEUZLYZBJN-CQSZACIVSA-N 1 1 274.412 3.149 20 30 CGEDMO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000573694637 377564881 /nfs/dbraw/zinc/56/48/81/377564881.db2.gz GGCVUKSUTZKIPE-NSHDSACASA-N 1 1 287.313 3.424 20 30 CGEDMO C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000573694637 377564884 /nfs/dbraw/zinc/56/48/84/377564884.db2.gz GGCVUKSUTZKIPE-NSHDSACASA-N 1 1 287.313 3.424 20 30 CGEDMO CCCC[N@@H+](C)C[C@H](C)Nc1ccc(C#N)cc1F ZINC000515087353 249201988 /nfs/dbraw/zinc/20/19/88/249201988.db2.gz LIHPQDFMFXAGTM-LBPRGKRZSA-N 1 1 263.360 3.230 20 30 CGEDMO C=CC[C@H](C)NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000342522310 377654804 /nfs/dbraw/zinc/65/48/04/377654804.db2.gz ITKYLOWYXSDAHP-FZMZJTMJSA-N 1 1 280.799 3.024 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000181311178 542218716 /nfs/dbraw/zinc/21/87/16/542218716.db2.gz FVBDOSGLIXUDRW-QGZVFWFLSA-N 1 1 285.387 3.087 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H]1CCCOC1 ZINC000342681813 377731064 /nfs/dbraw/zinc/73/10/64/377731064.db2.gz ROCJUNBSOGICOE-INIZCTEOSA-N 1 1 275.392 3.110 20 30 CGEDMO COc1ccc2c(c1)C[N@H+](Cc1ccc(CC#N)cc1)CC2 ZINC000342688668 377735489 /nfs/dbraw/zinc/73/54/89/377735489.db2.gz BSUBHRXJUYRAOR-UHFFFAOYSA-N 1 1 292.382 3.320 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000342766110 377778972 /nfs/dbraw/zinc/77/89/72/377778972.db2.gz SHUIOANNPXMEMC-ZDUSSCGKSA-N 1 1 287.325 3.117 20 30 CGEDMO CCc1nc(N[C@@H](CCC#N)c2ccccc2)cc(C)[nH+]1 ZINC000342777686 377784077 /nfs/dbraw/zinc/78/40/77/377784077.db2.gz JKJPCELRZPCKOZ-HNNXBMFYSA-N 1 1 280.375 3.226 20 30 CGEDMO C=CCC[N@@H+](C)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000342738105 377766519 /nfs/dbraw/zinc/76/65/19/377766519.db2.gz UAEQLIKFRSOOAA-UHFFFAOYSA-N 1 1 277.755 3.398 20 30 CGEDMO C=CCC[N@H+](C)Cc1nc(-c2cccc(Cl)c2)no1 ZINC000342738105 377766522 /nfs/dbraw/zinc/76/65/22/377766522.db2.gz UAEQLIKFRSOOAA-UHFFFAOYSA-N 1 1 277.755 3.398 20 30 CGEDMO CC(C)(C[NH2+]Cc1ccc(C#N)cc1F)N1CCCCC1 ZINC000342911245 377855868 /nfs/dbraw/zinc/85/58/68/377855868.db2.gz KWRNRUMFFLNWRM-UHFFFAOYSA-N 1 1 289.398 3.051 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)CC1(C#N)CC1 ZINC000343249206 377940222 /nfs/dbraw/zinc/94/02/22/377940222.db2.gz MESINTGMZXKERE-UHFFFAOYSA-N 1 1 253.349 3.074 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)CC1(C#N)CC1 ZINC000343249206 377940227 /nfs/dbraw/zinc/94/02/27/377940227.db2.gz MESINTGMZXKERE-UHFFFAOYSA-N 1 1 253.349 3.074 20 30 CGEDMO COc1ccc(C[N@@H+](C)CCCCC#N)cc1OC(F)F ZINC000263842480 377952275 /nfs/dbraw/zinc/95/22/75/377952275.db2.gz YMQVSKDLCMVOJQ-UHFFFAOYSA-N 1 1 298.333 3.422 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(OCC#N)cc2)[C@@H]1C ZINC000266011180 378013747 /nfs/dbraw/zinc/01/37/47/378013747.db2.gz SAHPCQUTMFSYJO-ZIAGYGMSSA-N 1 1 258.365 3.209 20 30 CGEDMO COc1ccccc1C[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000264181136 377961408 /nfs/dbraw/zinc/96/14/08/377961408.db2.gz YNTHRRAFJNBAGV-UHFFFAOYSA-N 1 1 296.370 3.230 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CC[C@H](C)[C@@H](OC)C1 ZINC000343468174 377988266 /nfs/dbraw/zinc/98/82/66/377988266.db2.gz LKJBMUINQVLYIG-YOEHRIQHSA-N 1 1 275.392 3.108 20 30 CGEDMO CCCOc1ccc([C@@H](C)[NH2+]CC2(C#N)CC2)cc1OC ZINC000343581903 378028374 /nfs/dbraw/zinc/02/83/74/378028374.db2.gz OIGGGSNQBVHTAN-CYBMUJFWSA-N 1 1 288.391 3.438 20 30 CGEDMO C=CCCCC[N@H+](CCOC)[C@H]1CCCSC1 ZINC000578484571 378072564 /nfs/dbraw/zinc/07/25/64/378072564.db2.gz INUILECVZMSKJC-AWEZNQCLSA-N 1 1 257.443 3.187 20 30 CGEDMO C[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1cscn1 ZINC000579025488 378123690 /nfs/dbraw/zinc/12/36/90/378123690.db2.gz FAPMHNIYWLCCAZ-YGRLFVJLSA-N 1 1 269.373 3.353 20 30 CGEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CC(C)(C)C1 ZINC000344012383 378154246 /nfs/dbraw/zinc/15/42/46/378154246.db2.gz BUVGGVYHPPGTQO-AWEZNQCLSA-N 1 1 299.418 3.255 20 30 CGEDMO N#Cc1cccc(OCC[N@H+]2CCC[C@H](C3CC3)C2)c1 ZINC000343956426 378143321 /nfs/dbraw/zinc/14/33/21/378143321.db2.gz DRTZNCOXZIHORX-INIZCTEOSA-N 1 1 270.376 3.059 20 30 CGEDMO Cc1cccc(C)c1NC(=O)CCC[N@H+](C)C[C@H](C)C#N ZINC000268929798 378155934 /nfs/dbraw/zinc/15/59/34/378155934.db2.gz XVUHAAYUIOZCJX-CYBMUJFWSA-N 1 1 287.407 3.114 20 30 CGEDMO CCC[N@@H+](CCCSCC#N)CCN1CCCCCC1 ZINC000344072990 378157183 /nfs/dbraw/zinc/15/71/83/378157183.db2.gz SQQKIQZQRNBLQG-UHFFFAOYSA-N 1 1 297.512 3.221 20 30 CGEDMO CCCN(CCCSCC#N)CC[NH+]1CCCCCC1 ZINC000344072990 378157186 /nfs/dbraw/zinc/15/71/86/378157186.db2.gz SQQKIQZQRNBLQG-UHFFFAOYSA-N 1 1 297.512 3.221 20 30 CGEDMO CC[C@@H]([NH2+][C@H](C)c1ccon1)c1ccc(C#N)cc1 ZINC000583480018 378326329 /nfs/dbraw/zinc/32/63/29/378326329.db2.gz XWFHYJPQNDBOSL-BXUZGUMPSA-N 1 1 255.321 3.348 20 30 CGEDMO COCC[N@@H+](CCC(C)(C)C#N)Cc1cccs1 ZINC000345704075 378349534 /nfs/dbraw/zinc/34/95/34/378349534.db2.gz CYANDZHLBPLFFC-UHFFFAOYSA-N 1 1 266.410 3.136 20 30 CGEDMO C#CCCC[N@@H+]1C[C@@H](c2ccccc2C)OC[C@H]1C ZINC000271064581 378444791 /nfs/dbraw/zinc/44/47/91/378444791.db2.gz UDNNAVJPAZNVEZ-WBVHZDCISA-N 1 1 257.377 3.170 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1ccccc1C ZINC000272337339 378615536 /nfs/dbraw/zinc/61/55/36/378615536.db2.gz XSKAVRLOKGDYGU-UHFFFAOYSA-N 1 1 298.386 3.257 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1ccccc1C ZINC000272337339 378615542 /nfs/dbraw/zinc/61/55/42/378615542.db2.gz XSKAVRLOKGDYGU-UHFFFAOYSA-N 1 1 298.386 3.257 20 30 CGEDMO CC(C)[C@@H](C)[N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000272339670 378615583 /nfs/dbraw/zinc/61/55/83/378615583.db2.gz YMROYCCTBCEOSS-CQSZACIVSA-N 1 1 296.418 3.435 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](COc3ccccc3)C2)cc1 ZINC000272621904 378678065 /nfs/dbraw/zinc/67/80/65/378678065.db2.gz UWEFCKXVBKBOTC-GOSISDBHSA-N 1 1 292.382 3.459 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C(=O)N(CC)CC)c1ccccc1 ZINC000346954584 378698258 /nfs/dbraw/zinc/69/82/58/378698258.db2.gz AJBHMHPFXYRORR-KRWDZBQOSA-N 1 1 288.435 3.494 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCN(c2ccccc2)C1 ZINC000638098844 378698695 /nfs/dbraw/zinc/69/86/95/378698695.db2.gz PSZGFWKICUOKIO-INIZCTEOSA-N 1 1 258.409 3.411 20 30 CGEDMO C=CC[N@H+](CCOC1CCC1)Cc1ccc(OC)cc1 ZINC000346834979 378692078 /nfs/dbraw/zinc/69/20/78/378692078.db2.gz ZGIFJEWAFYBIDO-UHFFFAOYSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CCOCCC[N@H+](C)[C@H](C)c1ccc(OC)cc1 ZINC000347970842 378741596 /nfs/dbraw/zinc/74/15/96/378741596.db2.gz XGIANCIXQGGTEA-CQSZACIVSA-N 1 1 263.381 3.281 20 30 CGEDMO C=CCOCCC[N@@H+]1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000348049693 378766736 /nfs/dbraw/zinc/76/67/36/378766736.db2.gz JBXBJMPSPVPZEZ-WBVHZDCISA-N 1 1 275.392 3.041 20 30 CGEDMO C=CCOCCC[N@@H+]1CCC[C@@H]1c1csc(C)n1 ZINC000348029181 378758635 /nfs/dbraw/zinc/75/86/35/378758635.db2.gz HTSFVBUNONOVAI-CQSZACIVSA-N 1 1 266.410 3.181 20 30 CGEDMO C=CCOCCC[N@H+](C)[C@H](C)c1sc(C)nc1C ZINC000348030068 378759579 /nfs/dbraw/zinc/75/95/79/378759579.db2.gz IEKKURYIKBJQAF-GFCCVEGCSA-N 1 1 268.426 3.345 20 30 CGEDMO C=CCOCCC[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000348193467 378832090 /nfs/dbraw/zinc/83/20/90/378832090.db2.gz MVRYXUBTRRIDOM-UHFFFAOYSA-N 1 1 267.413 3.003 20 30 CGEDMO CCn1cc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)cn1 ZINC000346860992 218038919 /nfs/dbraw/zinc/03/89/19/218038919.db2.gz DHOAJKGQXLNLRV-NWDGAFQWSA-N 1 1 286.354 3.326 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1CCCCO1 ZINC000275112836 378938469 /nfs/dbraw/zinc/93/84/69/378938469.db2.gz WQOKJXDQKOOQRI-XJKSGUPXSA-N 1 1 258.365 3.120 20 30 CGEDMO CC(C)([NH2+]CCCC#N)c1nc(C(F)(F)F)cs1 ZINC000348517638 378974562 /nfs/dbraw/zinc/97/45/62/378974562.db2.gz WZXUPKYNYCUQMF-UHFFFAOYSA-N 1 1 277.315 3.290 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCCCC[C@@H]1C ZINC000347268703 218174712 /nfs/dbraw/zinc/17/47/12/218174712.db2.gz UPUPURZROIDYHH-ZDUSSCGKSA-N 1 1 258.365 3.331 20 30 CGEDMO N#CCC[N@@H+](CC1CC1)C[C@@H]1CCOc2ccccc21 ZINC000371417733 379161959 /nfs/dbraw/zinc/16/19/59/379161959.db2.gz WYFHFFKPEGOXTC-HNNXBMFYSA-N 1 1 270.376 3.178 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC000277458864 379165439 /nfs/dbraw/zinc/16/54/39/379165439.db2.gz QDXBZUUEDBPNGW-AWEZNQCLSA-N 1 1 291.395 3.067 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC000277458864 379165447 /nfs/dbraw/zinc/16/54/47/379165447.db2.gz QDXBZUUEDBPNGW-AWEZNQCLSA-N 1 1 291.395 3.067 20 30 CGEDMO C[N@@H+](CCC#N)CCCc1cc(-c2ccc(F)cc2)no1 ZINC000372950451 379205234 /nfs/dbraw/zinc/20/52/34/379205234.db2.gz QNHSXDDKOJQCMB-UHFFFAOYSA-N 1 1 287.338 3.259 20 30 CGEDMO C[N@H+](CCC#N)CCCc1cc(-c2ccc(F)cc2)no1 ZINC000372950451 379205242 /nfs/dbraw/zinc/20/52/42/379205242.db2.gz QNHSXDDKOJQCMB-UHFFFAOYSA-N 1 1 287.338 3.259 20 30 CGEDMO C=C1CC[NH+](C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000266528426 190264277 /nfs/dbraw/zinc/26/42/77/190264277.db2.gz LHBGBCBPBJBRHD-CQSZACIVSA-N 1 1 251.757 3.025 20 30 CGEDMO CN(C)c1ccccc1C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000266560204 190266926 /nfs/dbraw/zinc/26/69/26/190266926.db2.gz XJPMEJLJMZNVHD-UHFFFAOYSA-N 1 1 297.377 3.395 20 30 CGEDMO CN(C)c1ccccc1C[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000266560204 190266927 /nfs/dbraw/zinc/26/69/27/190266927.db2.gz XJPMEJLJMZNVHD-UHFFFAOYSA-N 1 1 297.377 3.395 20 30 CGEDMO CC(C)C[N@H+](CCC#N)CCO[C@@H]1CCCC[C@@H]1C ZINC000739914638 572427091 /nfs/dbraw/zinc/42/70/91/572427091.db2.gz MNDYKTCWYANDPH-JKSUJKDBSA-N 1 1 266.429 3.453 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CC[C@H](CC(F)(F)F)C2)cc1 ZINC000278908967 194208506 /nfs/dbraw/zinc/20/85/06/194208506.db2.gz VURLTSMXLUENIO-CYBMUJFWSA-N 1 1 285.284 3.452 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)[C@H](C)c2cccc(F)c2)n1 ZINC000279648639 379479673 /nfs/dbraw/zinc/47/96/73/379479673.db2.gz BAWMMCIZJPBJBK-CQSZACIVSA-N 1 1 285.366 3.239 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)[C@H](C)c2cccc(F)c2)n1 ZINC000279648639 379479678 /nfs/dbraw/zinc/47/96/78/379479678.db2.gz BAWMMCIZJPBJBK-CQSZACIVSA-N 1 1 285.366 3.239 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)Cc2c(C)cccc2C)n1 ZINC000279795999 379518237 /nfs/dbraw/zinc/51/82/37/379518237.db2.gz WEPVOWJSQRYNCW-UHFFFAOYSA-N 1 1 281.403 3.155 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)Cc2c(C)cccc2C)n1 ZINC000279795999 379518245 /nfs/dbraw/zinc/51/82/45/379518245.db2.gz WEPVOWJSQRYNCW-UHFFFAOYSA-N 1 1 281.403 3.155 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639793744 379589631 /nfs/dbraw/zinc/58/96/31/379589631.db2.gz PTPUNMJNVLOQRT-HNNXBMFYSA-N 1 1 267.376 3.385 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@@](C)(OC)CC2)cc1 ZINC000280267176 379661529 /nfs/dbraw/zinc/66/15/29/379661529.db2.gz MGRJYJRUNJZMEO-GOSISDBHSA-N 1 1 287.403 3.090 20 30 CGEDMO C=C(C)CC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000351717367 379741470 /nfs/dbraw/zinc/74/14/70/379741470.db2.gz DJAKHHYYJYBHNE-LSDHHAIUSA-N 1 1 250.430 3.195 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCc2c(F)cc(F)cc2[C@@H]1C ZINC000351741023 379742052 /nfs/dbraw/zinc/74/20/52/379742052.db2.gz QGOHORANYNRJJH-WCQYABFASA-N 1 1 281.346 3.211 20 30 CGEDMO C=C(C)CC[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000351875048 379748292 /nfs/dbraw/zinc/74/82/92/379748292.db2.gz KQFAQEVMXOABTL-KRWDZBQOSA-N 1 1 259.393 3.325 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(Cc2ccccc2C#N)C1 ZINC000352311147 379761319 /nfs/dbraw/zinc/76/13/19/379761319.db2.gz RXQJZAIDFBEWAI-JTDSTZFVSA-N 1 1 297.446 3.395 20 30 CGEDMO CC(C)Oc1ccccc1C[NH+]1CCC(F)(C#N)CC1 ZINC000352458275 379824105 /nfs/dbraw/zinc/82/41/05/379824105.db2.gz IQNIJLMNOUXQAA-UHFFFAOYSA-N 1 1 276.355 3.301 20 30 CGEDMO C[C@H]1C[C@H](C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)CCO1 ZINC000352700592 379914878 /nfs/dbraw/zinc/91/48/78/379914878.db2.gz SNMRXZAHFWDXCU-WMLDXEAASA-N 1 1 284.403 3.338 20 30 CGEDMO C=C(C)CCn1cc([C@@H]([NH3+])c2ccc(Cl)cc2F)nn1 ZINC000641069461 379924484 /nfs/dbraw/zinc/92/44/84/379924484.db2.gz IPLWRQVURDECDN-AWEZNQCLSA-N 1 1 294.761 3.085 20 30 CGEDMO C=CCCCn1cc(C[N@H+](C)C2CCCCC2)nn1 ZINC000640936297 379877318 /nfs/dbraw/zinc/87/73/18/379877318.db2.gz UGUKNHSVPAVSPW-UHFFFAOYSA-N 1 1 262.401 3.009 20 30 CGEDMO COc1cc(C[N@@H+](C)[C@@H](C)C2(C)CC2)ccc1C#N ZINC000282282700 379888892 /nfs/dbraw/zinc/88/88/92/379888892.db2.gz LCSJUFFEUAUJOM-LBPRGKRZSA-N 1 1 258.365 3.187 20 30 CGEDMO CC[C@@H]1C[N@H+](Cc2ccc(CC#N)cc2)C[C@H](CC)O1 ZINC000399182602 379936181 /nfs/dbraw/zinc/93/61/81/379936181.db2.gz MHLSKDQFOKMQTB-CALCHBBNSA-N 1 1 272.392 3.142 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1nccs1 ZINC000399206795 379937055 /nfs/dbraw/zinc/93/70/55/379937055.db2.gz WDJTWZWOKMXQKV-LLVKDONJSA-N 1 1 257.362 3.060 20 30 CGEDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000399748991 379943144 /nfs/dbraw/zinc/94/31/44/379943144.db2.gz LDEORONRTYXTFJ-SWLSCSKDSA-N 1 1 258.365 3.187 20 30 CGEDMO CC(C)O[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000404671270 379982515 /nfs/dbraw/zinc/98/25/15/379982515.db2.gz BOZHDMBJBGZOQZ-HNNXBMFYSA-N 1 1 276.355 3.087 20 30 CGEDMO CC(C)COC1CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC000352894784 380024229 /nfs/dbraw/zinc/02/42/29/380024229.db2.gz VISYFYXKYCKSRX-UHFFFAOYSA-N 1 1 290.382 3.334 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1cnn2ccccc12 ZINC000352928172 380043805 /nfs/dbraw/zinc/04/38/05/380043805.db2.gz CCLHDNQQZRJNNZ-UHFFFAOYSA-N 1 1 281.359 3.158 20 30 CGEDMO C[C@H]1[N@@H+](CCC2(C#N)CCCCC2)CCOC1(C)C ZINC000411340839 380141293 /nfs/dbraw/zinc/14/12/93/380141293.db2.gz ASJOSSOUVRKBJE-CQSZACIVSA-N 1 1 264.413 3.350 20 30 CGEDMO N#CC1(CC[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)CCCCC1 ZINC000411397022 380142737 /nfs/dbraw/zinc/14/27/37/380142737.db2.gz LDVHCOXNBRGLKI-JKSUJKDBSA-N 1 1 276.424 3.209 20 30 CGEDMO CC[N@H+]1C[C@H](C)N(CCC2(C#N)CCCCC2)C[C@H]1C ZINC000411428648 380146431 /nfs/dbraw/zinc/14/64/31/380146431.db2.gz QEQYIIHRYAACMN-CVEARBPZSA-N 1 1 277.456 3.265 20 30 CGEDMO CCN1C[C@H](C)[N@H+](CCC2(C#N)CCCCC2)C[C@H]1C ZINC000411428648 380146433 /nfs/dbraw/zinc/14/64/33/380146433.db2.gz QEQYIIHRYAACMN-CVEARBPZSA-N 1 1 277.456 3.265 20 30 CGEDMO CCN1C[C@H](C)[N@@H+](CCC2(C#N)CCCCC2)C[C@H]1C ZINC000411428648 380146437 /nfs/dbraw/zinc/14/64/37/380146437.db2.gz QEQYIIHRYAACMN-CVEARBPZSA-N 1 1 277.456 3.265 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCC1(O)CCC1 ZINC000411116585 380129876 /nfs/dbraw/zinc/12/98/76/380129876.db2.gz YPTFAAKDPBQDEF-DLBZAZTESA-N 1 1 284.403 3.063 20 30 CGEDMO C[C@H](CCC#N)[NH+]1CCN(Cc2ccc(Cl)s2)CC1 ZINC000411131874 380129934 /nfs/dbraw/zinc/12/99/34/380129934.db2.gz FTBSTEKBOJTPAO-GFCCVEGCSA-N 1 1 297.855 3.211 20 30 CGEDMO CCOC(=O)[C@@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411139790 380130621 /nfs/dbraw/zinc/13/06/21/380130621.db2.gz SYIJRSQGTASWHH-OAHLLOKOSA-N 1 1 292.423 3.126 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)N[C@H](C)CCC ZINC000411142444 380130897 /nfs/dbraw/zinc/13/08/97/380130897.db2.gz WQYDTKXXZFILDU-ZIAGYGMSSA-N 1 1 294.464 3.429 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)N[C@H](C)CCC ZINC000411142444 380130907 /nfs/dbraw/zinc/13/09/07/380130907.db2.gz WQYDTKXXZFILDU-ZIAGYGMSSA-N 1 1 294.464 3.429 20 30 CGEDMO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411552297 380152133 /nfs/dbraw/zinc/15/21/33/380152133.db2.gz GIHPEZJKFYYAHW-LSDHHAIUSA-N 1 1 292.423 3.124 20 30 CGEDMO COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411552297 380152139 /nfs/dbraw/zinc/15/21/39/380152139.db2.gz GIHPEZJKFYYAHW-LSDHHAIUSA-N 1 1 292.423 3.124 20 30 CGEDMO CCC[N@H+]1CCC[C@@H]1CN[C@H](C)c1ccc(C#N)cc1F ZINC000353974158 380258885 /nfs/dbraw/zinc/25/88/85/380258885.db2.gz RNYOAYRBWLTERX-UKRRQHHQSA-N 1 1 289.398 3.222 20 30 CGEDMO CCCN1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000353974158 380258888 /nfs/dbraw/zinc/25/88/88/380258888.db2.gz RNYOAYRBWLTERX-UKRRQHHQSA-N 1 1 289.398 3.222 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cnc(CC)nc1 ZINC000414373454 380216107 /nfs/dbraw/zinc/21/61/07/380216107.db2.gz SIPHCDKLFXNCQJ-UHFFFAOYSA-N 1 1 297.402 3.236 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cnc(CC)nc1 ZINC000414373454 380216112 /nfs/dbraw/zinc/21/61/12/380216112.db2.gz SIPHCDKLFXNCQJ-UHFFFAOYSA-N 1 1 297.402 3.236 20 30 CGEDMO C=CCC[C@@H](C)[NH2+]C1(c2noc(C(F)F)n2)CCC1 ZINC000644837983 380523651 /nfs/dbraw/zinc/52/36/51/380523651.db2.gz YRVJYYGBBCNMQL-SECBINFHSA-N 1 1 271.311 3.331 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@H](C)[C@@H]2C)cc1OC ZINC000355131497 380591451 /nfs/dbraw/zinc/59/14/51/380591451.db2.gz IOOJYZVGGJIWFH-KBPBESRZSA-N 1 1 275.392 3.490 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCSC[C@H]2C2CCC2)c1 ZINC000418131094 380709091 /nfs/dbraw/zinc/70/90/91/380709091.db2.gz VYSFVZFVSKRUFT-INIZCTEOSA-N 1 1 272.417 3.276 20 30 CGEDMO C=CCN(C(=O)[C@@H](CC)[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000355503272 380690593 /nfs/dbraw/zinc/69/05/93/380690593.db2.gz FIDSDQJRYXNHBM-QGZVFWFLSA-N 1 1 286.419 3.074 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@@]3(CCSC3)C2)c1 ZINC000334747044 207008029 /nfs/dbraw/zinc/00/80/29/207008029.db2.gz JTECPQYQLGHDSB-CQSZACIVSA-N 1 1 278.446 3.339 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)CC1=CCCC1 ZINC000645910788 380771694 /nfs/dbraw/zinc/77/16/94/380771694.db2.gz XFSFSZWJFDHORG-UHFFFAOYSA-N 1 1 261.365 3.260 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H](CC(C)C)OC ZINC000419291015 380795548 /nfs/dbraw/zinc/79/55/48/380795548.db2.gz ZOECYWAVHUDGFC-KRWDZBQOSA-N 1 1 295.423 3.211 20 30 CGEDMO N#CC1(F)CC[NH+](CCc2ccc(F)cc2Cl)CC1 ZINC000356310085 380796556 /nfs/dbraw/zinc/79/65/56/380796556.db2.gz XGCKLZAXYRHWKX-UHFFFAOYSA-N 1 1 284.737 3.349 20 30 CGEDMO C[C@H]1[C@@H](C)[N@H+](CCCC2(C#N)CCOCC2)C[C@H]1C ZINC000419352757 380812179 /nfs/dbraw/zinc/81/21/79/380812179.db2.gz KJAYMLLVWOAAFH-RBSFLKMASA-N 1 1 264.413 3.063 20 30 CGEDMO CC[N@@H+](CCCSCC#N)CCOc1ccccc1C ZINC000420977357 380866243 /nfs/dbraw/zinc/86/62/43/380866243.db2.gz UZDUOLQHGRCDSZ-UHFFFAOYSA-N 1 1 292.448 3.343 20 30 CGEDMO CC[C@H]1CCCC[N@H+]1CCNCc1ccc(C#N)c(F)c1 ZINC000421362392 380897381 /nfs/dbraw/zinc/89/73/81/380897381.db2.gz JCZUPFKDQLZLPX-INIZCTEOSA-N 1 1 289.398 3.051 20 30 CGEDMO CC[C@H]1CCCCN1CC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421362392 380897383 /nfs/dbraw/zinc/89/73/83/380897383.db2.gz JCZUPFKDQLZLPX-INIZCTEOSA-N 1 1 289.398 3.051 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)C[C@@H](C)c2ccc(F)cc2)n1 ZINC000279343768 194392923 /nfs/dbraw/zinc/39/29/23/194392923.db2.gz FHTOBLCDFFHEOV-OAHLLOKOSA-N 1 1 299.393 3.281 20 30 CGEDMO Cc1cn2cc(Nc3ccc(C#N)c([N+](=O)[O-])c3)ccc2[nH+]1 ZINC000357517512 381190858 /nfs/dbraw/zinc/19/08/58/381190858.db2.gz UCLQIRKCMXMPSU-UHFFFAOYSA-N 1 1 293.286 3.166 20 30 CGEDMO CC[C@@H]1[C@H](C)CC[N@H+]1CCOc1cccc(C#N)c1 ZINC000360469655 381551976 /nfs/dbraw/zinc/55/19/76/381551976.db2.gz VQLDTZARVWXCMH-CZUORRHYSA-N 1 1 258.365 3.057 20 30 CGEDMO Cc1ccncc1C[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000361412921 381737068 /nfs/dbraw/zinc/73/70/68/381737068.db2.gz NUEORPQBFCJRCO-UHFFFAOYSA-N 1 1 268.335 3.013 20 30 CGEDMO Cc1ccncc1C[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000361412921 381737075 /nfs/dbraw/zinc/73/70/75/381737075.db2.gz NUEORPQBFCJRCO-UHFFFAOYSA-N 1 1 268.335 3.013 20 30 CGEDMO N#Cc1cccc(NC(=O)C[N@@H+](CC2CC2)CC2CCC2)c1 ZINC000361556604 381800852 /nfs/dbraw/zinc/80/08/52/381800852.db2.gz JADRCDFGVVYZCX-UHFFFAOYSA-N 1 1 297.402 3.009 20 30 CGEDMO CC[N@@H+](CCOc1ccc(C#N)cc1OC)CC1CCC1 ZINC000361481384 381767040 /nfs/dbraw/zinc/76/70/40/381767040.db2.gz MGIPHGKKWIBHMV-UHFFFAOYSA-N 1 1 288.391 3.068 20 30 CGEDMO CC[N@H+](Cc1ccc(C#N)cc1OC(F)F)C[C@@H](C)OC ZINC000361573687 381812384 /nfs/dbraw/zinc/81/23/84/381812384.db2.gz NDLLQRJCBQEIFJ-LLVKDONJSA-N 1 1 298.333 3.016 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccc(OC(F)(F)F)cc1 ZINC000361641864 381850708 /nfs/dbraw/zinc/85/07/08/381850708.db2.gz DTMSNRKUYJEDGV-UHFFFAOYSA-N 1 1 289.297 3.220 20 30 CGEDMO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2cc(C#N)ccc2F)C1(C)C ZINC000362439799 381991928 /nfs/dbraw/zinc/99/19/28/381991928.db2.gz PFINAUFEIDNQBB-RDJZCZTQSA-N 1 1 290.382 3.333 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCc1cccnc1 ZINC000362440803 381993921 /nfs/dbraw/zinc/99/39/21/381993921.db2.gz SDTMUCXCPZWCTG-OALUTQOASA-N 1 1 291.398 3.396 20 30 CGEDMO COc1ccc2c(c1)C[N@H+](Cc1ccc(C#N)c(C)c1)CC2 ZINC000362923728 382150309 /nfs/dbraw/zinc/15/03/09/382150309.db2.gz UWEONIOAHLXFPZ-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC2(CC#N)CC2)CC1 ZINC000369706483 382392543 /nfs/dbraw/zinc/39/25/43/382392543.db2.gz KSEQVKQUVMZYNH-NVXWUHKLSA-N 1 1 289.467 3.313 20 30 CGEDMO COC(C)(C)CC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425533428 532950298 /nfs/dbraw/zinc/95/02/98/532950298.db2.gz KTVIWZSAVSQMFR-ZDUSSCGKSA-N 1 1 260.381 3.366 20 30 CGEDMO COC1CC([N@@H+](C)Cc2ccccc2C(C)(C)C#N)C1 ZINC000352230973 533031997 /nfs/dbraw/zinc/03/19/97/533031997.db2.gz NNMMGRXALUJVKN-UHFFFAOYSA-N 1 1 272.392 3.097 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c1 ZINC000335367205 208288129 /nfs/dbraw/zinc/28/81/29/208288129.db2.gz DIPXWOMPSNRNJQ-RHSMWYFYSA-N 1 1 288.366 3.088 20 30 CGEDMO C[C@@H]([NH2+]Cc1cnn2ccccc12)c1ccc(C#N)cc1F ZINC000353871863 220380825 /nfs/dbraw/zinc/38/08/25/220380825.db2.gz ULHHRFYMXBAWMR-GFCCVEGCSA-N 1 1 294.333 3.196 20 30 CGEDMO CCC[C@]1(CO)CC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000288784360 197165602 /nfs/dbraw/zinc/16/56/02/197165602.db2.gz KQTDAXATUUROJO-PBHICJAKSA-N 1 1 272.392 3.104 20 30 CGEDMO CC(C)(C#N)CCCC[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000336806141 262395549 /nfs/dbraw/zinc/39/55/49/262395549.db2.gz HYIUIKCWSPEDOD-AWEZNQCLSA-N 1 1 264.413 3.207 20 30 CGEDMO C[C@@H]([NH2+]Cc1cccc(N(C)C)n1)c1ccc(C#N)cc1F ZINC000358576554 533455269 /nfs/dbraw/zinc/45/52/69/533455269.db2.gz UHEITVBPWQCRTR-GFCCVEGCSA-N 1 1 298.365 3.009 20 30 CGEDMO C[C@@H]([NH2+]Cc1cccc(O)c1)c1ccc(C#N)cc1F ZINC000358561289 533456501 /nfs/dbraw/zinc/45/65/01/533456501.db2.gz GHYYLVQUSHVWFI-LLVKDONJSA-N 1 1 270.307 3.254 20 30 CGEDMO C=CCC[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000189960092 130044803 /nfs/dbraw/zinc/04/48/03/130044803.db2.gz IJXOFUGBPIQVDD-BYICEURKSA-N 1 1 272.436 3.309 20 30 CGEDMO Cn1cc(C[N@@H+](Cc2cccs2)C2CC2)cc1C#N ZINC000191224766 130205387 /nfs/dbraw/zinc/20/53/87/130205387.db2.gz XBRNYACHFGLMIN-UHFFFAOYSA-N 1 1 271.389 3.123 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1cc(C#N)n(C)c1 ZINC000191274757 130213343 /nfs/dbraw/zinc/21/33/43/130213343.db2.gz HQNRAYRXLLEHFS-UHFFFAOYSA-N 1 1 279.387 3.127 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@H](C)CCOC ZINC000411181169 542630153 /nfs/dbraw/zinc/63/01/53/542630153.db2.gz UCJLACRFRRNQQG-CQSZACIVSA-N 1 1 263.381 3.108 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCCOc2cccc(C#N)c2)[C@@H]1C ZINC000050564778 392064529 /nfs/dbraw/zinc/06/45/29/392064529.db2.gz UBYLORFQEUVFOC-HUUCEWRRSA-N 1 1 272.392 3.448 20 30 CGEDMO C=C(C)C[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000071012581 392187500 /nfs/dbraw/zinc/18/75/00/392187500.db2.gz WYOAQJUFCDLINM-UHFFFAOYSA-N 1 1 264.344 3.051 20 30 CGEDMO COCC[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccco1 ZINC000361748482 392312295 /nfs/dbraw/zinc/31/22/95/392312295.db2.gz HKYLXJZUIQNEFM-OAHLLOKOSA-N 1 1 288.322 3.158 20 30 CGEDMO N#Cc1ccc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000096474209 392256463 /nfs/dbraw/zinc/25/64/63/392256463.db2.gz CQWNTUGDXAUFJS-UONOGXRCSA-N 1 1 275.783 3.250 20 30 CGEDMO C#CCC[N@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000285218022 392318606 /nfs/dbraw/zinc/31/86/06/392318606.db2.gz FDGOVHDYHVODND-UHFFFAOYSA-N 1 1 271.282 3.083 20 30 CGEDMO CC(C)CC[C@@H](O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000361268963 392273680 /nfs/dbraw/zinc/27/36/80/392273680.db2.gz YFGGQOJSJNCTNW-GOSISDBHSA-N 1 1 286.419 3.320 20 30 CGEDMO C=CC[C@@H]1[N@@H+](CCc2ccnn2C)CCCC1(C)C ZINC000282967273 392299001 /nfs/dbraw/zinc/29/90/01/392299001.db2.gz DUOMANWZIULCNU-HNNXBMFYSA-N 1 1 261.413 3.029 20 30 CGEDMO C=CCC[C@@H](NCC(C)(C)[NH+](C)C)c1ccco1 ZINC000285623774 392327434 /nfs/dbraw/zinc/32/74/34/392327434.db2.gz KYAULYSNVIDQOU-CYBMUJFWSA-N 1 1 250.386 3.217 20 30 CGEDMO C=CCN(CCc1ccccc1)c1cc(C)[nH+]c(C)n1 ZINC000436294296 542658075 /nfs/dbraw/zinc/65/80/75/542658075.db2.gz GBYDJRGZJKULSJ-UHFFFAOYSA-N 1 1 267.376 3.329 20 30 CGEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000247159113 131101362 /nfs/dbraw/zinc/10/13/62/131101362.db2.gz XXZDYAFYBOBBMR-RHSMWYFYSA-N 1 1 297.402 3.151 20 30 CGEDMO C=CCC[C@H](NC[C@]1([NH+](C)C)CCSC1)c1ccco1 ZINC000286190876 392379532 /nfs/dbraw/zinc/37/95/32/392379532.db2.gz RHSHRSFSRLHYDX-GOEBONIOSA-N 1 1 294.464 3.314 20 30 CGEDMO C[C@H]1SCC[N@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC000121254083 392410841 /nfs/dbraw/zinc/41/08/41/392410841.db2.gz KWBQYMHORAUQFD-GHMZBOCLSA-N 1 1 264.369 3.023 20 30 CGEDMO C[C@H]1SCC[N@@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1C ZINC000121254083 392410847 /nfs/dbraw/zinc/41/08/47/392410847.db2.gz KWBQYMHORAUQFD-GHMZBOCLSA-N 1 1 264.369 3.023 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000121206709 392411297 /nfs/dbraw/zinc/41/12/97/392411297.db2.gz RXPIYJIWLIULQA-MRXNPFEDSA-N 1 1 297.402 3.354 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)c1 ZINC000121206709 392411304 /nfs/dbraw/zinc/41/13/04/392411304.db2.gz RXPIYJIWLIULQA-MRXNPFEDSA-N 1 1 297.402 3.354 20 30 CGEDMO Cc1ccc(NCc2ccc(N(C)CCC#N)cc2)[nH+]c1 ZINC000121603769 392414289 /nfs/dbraw/zinc/41/42/89/392414289.db2.gz LDUUYJVFAGKAKY-UHFFFAOYSA-N 1 1 280.375 3.352 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@](C)(OC)CC2)cc1 ZINC000289815951 392432910 /nfs/dbraw/zinc/43/29/10/392432910.db2.gz TUTMRYFAARIBNR-KRWDZBQOSA-N 1 1 257.377 3.059 20 30 CGEDMO C=CCCCCC[NH2+][C@H](C)c1noc(COC(C)C)n1 ZINC000290065949 392439489 /nfs/dbraw/zinc/43/94/89/392439489.db2.gz YAMDJFWFWPOIJQ-CYBMUJFWSA-N 1 1 281.400 3.392 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)Cc1ccccc1Cl ZINC000121123015 392409438 /nfs/dbraw/zinc/40/94/38/392409438.db2.gz TYSOWBUVWGEIQY-CYBMUJFWSA-N 1 1 253.773 3.099 20 30 CGEDMO C=CCCCCC[N@@H+](C)[C@H](C)c1nnnn1-c1ccccc1 ZINC000150881818 392482262 /nfs/dbraw/zinc/48/22/62/392482262.db2.gz RGIKFIOABJFMRF-OAHLLOKOSA-N 1 1 299.422 3.402 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H](C)c1nnnn1-c1ccccc1 ZINC000150881818 392482263 /nfs/dbraw/zinc/48/22/63/392482263.db2.gz RGIKFIOABJFMRF-OAHLLOKOSA-N 1 1 299.422 3.402 20 30 CGEDMO N#CC1(CCC[N@H+]2CCC[C@H]2C2CCC2)CCOCC1 ZINC000374159275 392671602 /nfs/dbraw/zinc/67/16/02/392671602.db2.gz IOZXYAWBLVKIKL-INIZCTEOSA-N 1 1 276.424 3.351 20 30 CGEDMO CC(C)(CCC#N)C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000374281792 392673757 /nfs/dbraw/zinc/67/37/57/392673757.db2.gz CHUCEYQIPARULZ-QGZVFWFLSA-N 1 1 297.402 3.262 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000374281792 392673765 /nfs/dbraw/zinc/67/37/65/392673765.db2.gz CHUCEYQIPARULZ-QGZVFWFLSA-N 1 1 297.402 3.262 20 30 CGEDMO C[C@@H]1c2ccccc2CC[N@@H+]1CCCSCC#N ZINC000173890051 392630395 /nfs/dbraw/zinc/63/03/95/392630395.db2.gz HBXNABLBAFSTQZ-CYBMUJFWSA-N 1 1 260.406 3.253 20 30 CGEDMO N#CCSCCC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000173874280 392630823 /nfs/dbraw/zinc/63/08/23/392630823.db2.gz HLTYUWSHEKSVFJ-UHFFFAOYSA-N 1 1 285.416 3.170 20 30 CGEDMO C[C@H](c1cccc(O)c1)[N@@H+](C)CCCSCC#N ZINC000174157798 392637006 /nfs/dbraw/zinc/63/70/06/392637006.db2.gz QNEMVRVTCUWIBK-GFCCVEGCSA-N 1 1 264.394 3.032 20 30 CGEDMO CC(C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000307774291 392655033 /nfs/dbraw/zinc/65/50/33/392655033.db2.gz LPHZBCQIBHIKLF-MRXNPFEDSA-N 1 1 299.418 3.255 20 30 CGEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000181249039 392724359 /nfs/dbraw/zinc/72/43/59/392724359.db2.gz BJBJOODFHOPBLW-UHFFFAOYSA-N 1 1 266.772 3.095 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000181249039 392724366 /nfs/dbraw/zinc/72/43/66/392724366.db2.gz BJBJOODFHOPBLW-UHFFFAOYSA-N 1 1 266.772 3.095 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)N[C@@H](c1ccccc1)C(C)C ZINC000181258634 392725974 /nfs/dbraw/zinc/72/59/74/392725974.db2.gz YCHYVDCMWPPYLF-QGZVFWFLSA-N 1 1 274.408 3.008 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000181260470 392726295 /nfs/dbraw/zinc/72/62/95/392726295.db2.gz WXRFFMLWZSZLKW-OLZOCXBDSA-N 1 1 294.826 3.414 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCS[C@H](C)CC1 ZINC000192178082 392840227 /nfs/dbraw/zinc/84/02/27/392840227.db2.gz ZNWWRCTYRWHGDI-CYBMUJFWSA-N 1 1 260.406 3.194 20 30 CGEDMO C[C@@H](C#N)C[N@H+](CCCOc1ccc(F)cc1)C1CC1 ZINC000338350861 392911085 /nfs/dbraw/zinc/91/10/85/392911085.db2.gz PWYKHWHQFFZJCL-ZDUSSCGKSA-N 1 1 276.355 3.219 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](CCCOc1ccc(F)cc1)C1CC1 ZINC000338350861 392911088 /nfs/dbraw/zinc/91/10/88/392911088.db2.gz PWYKHWHQFFZJCL-ZDUSSCGKSA-N 1 1 276.355 3.219 20 30 CGEDMO C=C1CC[NH+](Cc2cnn(-c3ccccc3C)c2)CC1 ZINC000648007092 392865869 /nfs/dbraw/zinc/86/58/69/392865869.db2.gz PROVPRROBTVCOD-UHFFFAOYSA-N 1 1 267.376 3.333 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@H]1CNc2ccnn2C1 ZINC000648029904 392878592 /nfs/dbraw/zinc/87/85/92/392878592.db2.gz ZLGRZZAZJPHMKT-QGZVFWFLSA-N 1 1 296.418 3.003 20 30 CGEDMO CC(C)C[N@@H+](CCOCCC#N)Cc1ccccc1 ZINC000338939878 392936542 /nfs/dbraw/zinc/93/65/42/392936542.db2.gz YDQKMNAYWITYMG-UHFFFAOYSA-N 1 1 260.381 3.075 20 30 CGEDMO CC(C)C[C@H]1CCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000396865607 392943915 /nfs/dbraw/zinc/94/39/15/392943915.db2.gz KPEKEIZVGNLWEI-MRXNPFEDSA-N 1 1 272.392 3.448 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000459416208 392944239 /nfs/dbraw/zinc/94/42/39/392944239.db2.gz UQHGZMJPSSAYGO-XPKDYRNWSA-N 1 1 299.374 3.477 20 30 CGEDMO Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](CCOCCC#N)C1 ZINC000339003550 392939727 /nfs/dbraw/zinc/93/97/27/392939727.db2.gz OASOWWDVQAUTNY-CVEARBPZSA-N 1 1 272.392 3.103 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C(C)(C)C1 ZINC000459361727 392941286 /nfs/dbraw/zinc/94/12/86/392941286.db2.gz PQLPYAPZKSBLNN-NSHDSACASA-N 1 1 273.336 3.087 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCCNCc1ccc(C#N)c(F)c1 ZINC000404052426 392962604 /nfs/dbraw/zinc/96/26/04/392962604.db2.gz KILBOSSXTDDCGL-CQSZACIVSA-N 1 1 289.398 3.051 20 30 CGEDMO C[C@H]1CCCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000198698107 392978870 /nfs/dbraw/zinc/97/88/70/392978870.db2.gz ONNCNEUHLMNWKZ-ZDUSSCGKSA-N 1 1 253.349 3.185 20 30 CGEDMO N#Cc1ccc(Cn2cc[nH+]c2C2CC2)c(OC(F)F)c1 ZINC000530130416 392984851 /nfs/dbraw/zinc/98/48/51/392984851.db2.gz VQCYGUJOGSUCEQ-UHFFFAOYSA-N 1 1 289.285 3.282 20 30 CGEDMO N#CC1(CC[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)CCCCC1 ZINC000411803346 392988832 /nfs/dbraw/zinc/98/88/32/392988832.db2.gz OHMOEIAXDAGPJL-ZACQAIPSSA-N 1 1 290.451 3.476 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411836923 392988964 /nfs/dbraw/zinc/98/89/64/392988964.db2.gz ALZQJNHIKVSZID-OAHLLOKOSA-N 1 1 264.413 3.207 20 30 CGEDMO CC[N@@H+](Cc1cccc(C(=O)OC)c1C#N)[C@H](C)C(C)C ZINC000534486681 392999197 /nfs/dbraw/zinc/99/91/97/392999197.db2.gz IKFIAIRBDDARIY-CYBMUJFWSA-N 1 1 288.391 3.211 20 30 CGEDMO CC[C@@H]1C[N@H+](Cc2cccc(C#N)c2F)CCS1 ZINC000219524020 393003033 /nfs/dbraw/zinc/00/30/33/393003033.db2.gz LYFRHOZWXMZWIZ-CYBMUJFWSA-N 1 1 264.369 3.025 20 30 CGEDMO CC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2F)CCS1 ZINC000219524020 393003040 /nfs/dbraw/zinc/00/30/40/393003040.db2.gz LYFRHOZWXMZWIZ-CYBMUJFWSA-N 1 1 264.369 3.025 20 30 CGEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCOC1 ZINC000342672165 393003467 /nfs/dbraw/zinc/00/34/67/393003467.db2.gz LDLBDGKQEYCVSR-SFHVURJKSA-N 1 1 286.419 3.443 20 30 CGEDMO CC(C)C[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000466676087 393046801 /nfs/dbraw/zinc/04/68/01/393046801.db2.gz DQZDUULZHUVNNO-QGZVFWFLSA-N 1 1 299.418 3.397 20 30 CGEDMO N#Cc1ccc(C[N@H+](CCCO)Cc2ccccc2)c(F)c1 ZINC000269015664 393217525 /nfs/dbraw/zinc/21/75/25/393217525.db2.gz WXKXRMGHCYXAKW-UHFFFAOYSA-N 1 1 298.361 3.082 20 30 CGEDMO N#Cc1ccc(C[N@@H+](CCCO)Cc2ccccc2)c(F)c1 ZINC000269015664 393217531 /nfs/dbraw/zinc/21/75/31/393217531.db2.gz WXKXRMGHCYXAKW-UHFFFAOYSA-N 1 1 298.361 3.082 20 30 CGEDMO CC(C)C[C@@H](CN[C@@H]1CCc2ccc(C#N)cc21)[NH+](C)C ZINC000353387930 393221730 /nfs/dbraw/zinc/22/17/30/393221730.db2.gz OSPQHOIOGBZFSH-FUHWJXTLSA-N 1 1 285.435 3.111 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000649272749 393389654 /nfs/dbraw/zinc/38/96/54/393389654.db2.gz MJKCJSSCLFBGFV-FGTMMUONSA-N 1 1 289.419 3.023 20 30 CGEDMO C[C@H]1CCC[N@H+](CCNCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594494960 542771248 /nfs/dbraw/zinc/77/12/48/542771248.db2.gz MFNFAMDUIGWJKA-INIZCTEOSA-N 1 1 299.462 3.309 20 30 CGEDMO C[C@H]1CCC[N@@H+](CCNCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594494960 542771250 /nfs/dbraw/zinc/77/12/50/542771250.db2.gz MFNFAMDUIGWJKA-INIZCTEOSA-N 1 1 299.462 3.309 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000355772274 393339754 /nfs/dbraw/zinc/33/97/54/393339754.db2.gz PXVSIXWSGYYQMX-QGZVFWFLSA-N 1 1 259.393 3.022 20 30 CGEDMO COC[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356050569 393353862 /nfs/dbraw/zinc/35/38/62/393353862.db2.gz FXWUAAXQMAIASK-JTQLQIEISA-N 1 1 286.297 3.044 20 30 CGEDMO COc1ccc([C@H]2CC[N@H+](Cc3nc(C#N)cs3)C2)cc1 ZINC000356195849 393376909 /nfs/dbraw/zinc/37/69/09/393376909.db2.gz QRIMFXRYGZLAEL-ZDUSSCGKSA-N 1 1 299.399 3.013 20 30 CGEDMO COc1ccc([C@H]2CC[N@@H+](Cc3nc(C#N)cs3)C2)cc1 ZINC000356195849 393376916 /nfs/dbraw/zinc/37/69/16/393376916.db2.gz QRIMFXRYGZLAEL-ZDUSSCGKSA-N 1 1 299.399 3.013 20 30 CGEDMO Cc1ccccc1C[C@@H](C)[N@H+](C)Cc1nc(C#N)cs1 ZINC000356433883 393443468 /nfs/dbraw/zinc/44/34/68/393443468.db2.gz VHLMJSXELHIQMC-CYBMUJFWSA-N 1 1 285.416 3.386 20 30 CGEDMO Cc1ccccc1C[C@@H](C)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356433883 393443470 /nfs/dbraw/zinc/44/34/70/393443470.db2.gz VHLMJSXELHIQMC-CYBMUJFWSA-N 1 1 285.416 3.386 20 30 CGEDMO Cc1cc(C[N@H+](C)[C@H](C)c2ccccn2)ccc1C#N ZINC000488148314 393464010 /nfs/dbraw/zinc/46/40/10/393464010.db2.gz JTMAHHCPERPTDO-CQSZACIVSA-N 1 1 265.360 3.455 20 30 CGEDMO COc1ccc(C[N@H+]2CCc3cccc(C)c3C2)cc1C#N ZINC000429556495 393476895 /nfs/dbraw/zinc/47/68/95/393476895.db2.gz DUYQTGZIUZGKBA-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO COC[C@H]([NH2+]Cc1ccc(C#N)c(C)c1)c1ccc(C)o1 ZINC000488312259 393484634 /nfs/dbraw/zinc/48/46/34/393484634.db2.gz JRWJYPNKWYLEOL-INIZCTEOSA-N 1 1 284.359 3.245 20 30 CGEDMO C[C@H]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000429574061 393485862 /nfs/dbraw/zinc/48/58/62/393485862.db2.gz FCJUDGLCRRZFIM-XJKSGUPXSA-N 1 1 285.391 3.007 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(OC(C)C)ccn1 ZINC000649594485 393506172 /nfs/dbraw/zinc/50/61/72/393506172.db2.gz CVSRYGIBLWFZEV-HNNXBMFYSA-N 1 1 260.381 3.409 20 30 CGEDMO Cc1cc(C[N@H+]2CCS[C@@H](C(C)C)C2)ccc1C#N ZINC000488459323 393522148 /nfs/dbraw/zinc/52/21/48/393522148.db2.gz IZWIJIVLAQBSDH-MRXNPFEDSA-N 1 1 274.433 3.440 20 30 CGEDMO C[N@H+](Cc1cc(F)ccc1C#N)C1CC(OC(C)(C)C)C1 ZINC000420999785 393570122 /nfs/dbraw/zinc/57/01/22/393570122.db2.gz CYMAOUGQANJSFV-UHFFFAOYSA-N 1 1 290.382 3.475 20 30 CGEDMO C[N@@H+](Cc1cc(F)ccc1C#N)C1CC(OC(C)(C)C)C1 ZINC000420999785 393570124 /nfs/dbraw/zinc/57/01/24/393570124.db2.gz CYMAOUGQANJSFV-UHFFFAOYSA-N 1 1 290.382 3.475 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000489507192 393601968 /nfs/dbraw/zinc/60/19/68/393601968.db2.gz IFOJFXSYLFMFHR-MRXNPFEDSA-N 1 1 270.376 3.368 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000443064414 393741936 /nfs/dbraw/zinc/74/19/36/393741936.db2.gz OREJEBJMJSDPMT-OAHLLOKOSA-N 1 1 256.349 3.107 20 30 CGEDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000443340733 393753028 /nfs/dbraw/zinc/75/30/28/393753028.db2.gz BGXYAHBMNULEJE-WQGACYEGSA-N 1 1 292.810 3.193 20 30 CGEDMO CCCCCCC[N@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000361168414 393691972 /nfs/dbraw/zinc/69/19/72/393691972.db2.gz KBKYRDXWRMWMEK-UHFFFAOYSA-N 1 1 268.445 3.147 20 30 CGEDMO C#CC[N@@H+](Cc1scnc1C1CC1)C1CCCC1 ZINC000491474268 393692363 /nfs/dbraw/zinc/69/23/63/393692363.db2.gz LIJPWBFGTCGVDL-UHFFFAOYSA-N 1 1 260.406 3.398 20 30 CGEDMO Cc1cc(C[NH2+]CCN2[C@H](C)CCC[C@H]2C)ccc1C#N ZINC000443970419 393779337 /nfs/dbraw/zinc/77/93/37/393779337.db2.gz ICSISJVMCXAQTH-HZPDHXFCSA-N 1 1 285.435 3.219 20 30 CGEDMO Cc1cc(C[NH2+][C@H](CCN(C)C)C(C)(C)C)ccc1C#N ZINC000443997487 393781264 /nfs/dbraw/zinc/78/12/64/393781264.db2.gz RFRLTRCOJKEQSE-QGZVFWFLSA-N 1 1 287.451 3.323 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)[C@H]1C(C)C ZINC000449559800 393902658 /nfs/dbraw/zinc/90/26/58/393902658.db2.gz ZEXBDQVTWAPCGR-AEFFLSMTSA-N 1 1 296.418 3.318 20 30 CGEDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1ccc(C#N)cc1OC ZINC000501212160 393848809 /nfs/dbraw/zinc/84/88/09/393848809.db2.gz VJWYIGYWOIOQKG-WFASDCNBSA-N 1 1 258.365 3.187 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CC3(CC=CC3)[C@H]2C(C)C)nn1 ZINC000668277737 543000821 /nfs/dbraw/zinc/00/08/21/543000821.db2.gz OUQYYTBWBAKVTR-MRXNPFEDSA-N 1 1 286.423 3.031 20 30 CGEDMO C=CCCn1cc(C[N@H+]2CC3(CC=CC3)[C@H]2C(C)C)nn1 ZINC000668277737 543000823 /nfs/dbraw/zinc/00/08/23/543000823.db2.gz OUQYYTBWBAKVTR-MRXNPFEDSA-N 1 1 286.423 3.031 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2nn(C)c3ccccc23)C1 ZINC000668493630 543020431 /nfs/dbraw/zinc/02/04/31/543020431.db2.gz PXWIUMBCSHRTJF-CQSZACIVSA-N 1 1 269.392 3.361 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2cccc3nccn32)C1 ZINC000668493675 543020498 /nfs/dbraw/zinc/02/04/98/543020498.db2.gz QHENEVVLGUTHOG-AWEZNQCLSA-N 1 1 255.365 3.122 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000669694678 543118639 /nfs/dbraw/zinc/11/86/39/543118639.db2.gz DCHVLGXFJFFXTC-HOTGVXAUSA-N 1 1 285.435 3.201 20 30 CGEDMO CC(C)C[N@H+](CCC#N)Cc1ccccc1N(C)C ZINC000743851137 572689485 /nfs/dbraw/zinc/68/94/85/572689485.db2.gz KZZKSJDRPCRSMQ-UHFFFAOYSA-N 1 1 259.397 3.124 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)Cc1ccccc1N(C)C ZINC000743851137 572689488 /nfs/dbraw/zinc/68/94/88/572689488.db2.gz KZZKSJDRPCRSMQ-UHFFFAOYSA-N 1 1 259.397 3.124 20 30 CGEDMO COCC#CC[N@H+]1C[C@H](C)CC[C@H]1c1ccccc1 ZINC000671722795 543180984 /nfs/dbraw/zinc/18/09/84/543180984.db2.gz WQOIXOPFERGYRD-WBVHZDCISA-N 1 1 257.377 3.109 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000672578683 543217649 /nfs/dbraw/zinc/21/76/49/543217649.db2.gz VNKUMWNEPSOZKR-YPMHNXCESA-N 1 1 251.395 3.068 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccc(Br)o1 ZINC000117872986 397655671 /nfs/dbraw/zinc/65/56/71/397655671.db2.gz UKNFIUHDLRQYLW-UHFFFAOYSA-N 1 1 258.159 3.440 20 30 CGEDMO CCn1cc(C[N@H+](CC#Cc2ccccc2)C(C)C)cn1 ZINC000649814309 397726527 /nfs/dbraw/zinc/72/65/27/397726527.db2.gz IVWNZVRDRTZCTH-UHFFFAOYSA-N 1 1 281.403 3.165 20 30 CGEDMO CCn1cc(C[N@@H+](CC#Cc2ccccc2)C(C)C)cn1 ZINC000649814309 397726532 /nfs/dbraw/zinc/72/65/32/397726532.db2.gz IVWNZVRDRTZCTH-UHFFFAOYSA-N 1 1 281.403 3.165 20 30 CGEDMO FC1(F)C[C@]12CC[N@H+](CC#Cc1ccccc1Cl)C2 ZINC000649906975 397750989 /nfs/dbraw/zinc/75/09/89/397750989.db2.gz HCEUYXBPWHUEKY-AWEZNQCLSA-N 1 1 281.733 3.423 20 30 CGEDMO FC1(F)C[C@]12CC[N@@H+](CC#Cc1ccccc1Cl)C2 ZINC000649906975 397750992 /nfs/dbraw/zinc/75/09/92/397750992.db2.gz HCEUYXBPWHUEKY-AWEZNQCLSA-N 1 1 281.733 3.423 20 30 CGEDMO COCC#CC[N@H+](Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000677132878 543435785 /nfs/dbraw/zinc/43/57/85/543435785.db2.gz XGZSEFCNYYXFLC-CJNGLKHVSA-N 1 1 273.376 3.017 20 30 CGEDMO COCC#CC[N@@H+](Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000677132878 543435787 /nfs/dbraw/zinc/43/57/87/543435787.db2.gz XGZSEFCNYYXFLC-CJNGLKHVSA-N 1 1 273.376 3.017 20 30 CGEDMO CCC#C[C@@H](C)[N@H+](CCC)CC(=O)Nc1ccccc1C ZINC000677477158 543450203 /nfs/dbraw/zinc/45/02/03/543450203.db2.gz SNCBYKYQJAQVFO-MRXNPFEDSA-N 1 1 286.419 3.447 20 30 CGEDMO CCC#C[C@@H](C)[N@@H+](CCC)CC(=O)Nc1ccccc1C ZINC000677477158 543450204 /nfs/dbraw/zinc/45/02/04/543450204.db2.gz SNCBYKYQJAQVFO-MRXNPFEDSA-N 1 1 286.419 3.447 20 30 CGEDMO COCC#CC[N@@H+](Cc1ccc(F)cc1F)C1CCCC1 ZINC000677819212 543467846 /nfs/dbraw/zinc/46/78/46/543467846.db2.gz UREAYQXLODARAU-UHFFFAOYSA-N 1 1 293.357 3.359 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1nc2c(s1)CCCC2 ZINC000678942109 543575369 /nfs/dbraw/zinc/57/53/69/543575369.db2.gz OTKMBJGEJDVXRK-UHFFFAOYSA-N 1 1 250.411 3.420 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1nc2c(s1)CCCC2 ZINC000678942109 543575372 /nfs/dbraw/zinc/57/53/72/543575372.db2.gz OTKMBJGEJDVXRK-UHFFFAOYSA-N 1 1 250.411 3.420 20 30 CGEDMO CC[C@H]1C[N@H+](Cc2cn3ccccc3c2C#N)CCS1 ZINC000076072064 165113432 /nfs/dbraw/zinc/11/34/32/165113432.db2.gz LXAOIYCMJAVASA-AWEZNQCLSA-N 1 1 285.416 3.138 20 30 CGEDMO CC[C@H]1C[N@@H+](Cc2cn3ccccc3c2C#N)CCS1 ZINC000076072064 165113438 /nfs/dbraw/zinc/11/34/38/165113438.db2.gz LXAOIYCMJAVASA-AWEZNQCLSA-N 1 1 285.416 3.138 20 30 CGEDMO CC(C)C[C@@H]1CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000093716482 165334217 /nfs/dbraw/zinc/33/42/17/165334217.db2.gz XASYGQFBJVQALS-HNNXBMFYSA-N 1 1 296.418 3.464 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000187077185 287142470 /nfs/dbraw/zinc/14/24/70/287142470.db2.gz NLHGVHQSJBSUBY-OLZOCXBDSA-N 1 1 258.365 3.119 20 30 CGEDMO COCC[N@H+](Cc1ccc(C)o1)Cc1ccc(C#N)cc1 ZINC000125735839 287249636 /nfs/dbraw/zinc/24/96/36/287249636.db2.gz MCPXONZUWWEZAP-UHFFFAOYSA-N 1 1 284.359 3.108 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C)o1)Cc1ccc(C#N)cc1 ZINC000125735839 287249638 /nfs/dbraw/zinc/24/96/38/287249638.db2.gz MCPXONZUWWEZAP-UHFFFAOYSA-N 1 1 284.359 3.108 20 30 CGEDMO CC(C)C[C@H](CN[C@H](C)c1ccc(C#N)cc1)[NH+](C)C ZINC000020201332 171065252 /nfs/dbraw/zinc/06/52/52/171065252.db2.gz MHTLNPSVAALXPP-RHSMWYFYSA-N 1 1 273.424 3.185 20 30 CGEDMO CCC(CC)[C@@H](CNCc1cccc(C#N)c1)[NH+](C)C ZINC000020201993 171065997 /nfs/dbraw/zinc/06/59/97/171065997.db2.gz MCUYQYIJDLIFQL-QGZVFWFLSA-N 1 1 273.424 3.014 20 30 CGEDMO C[C@H](CN[C@@H](C)c1cccc(C#N)c1)C[NH+]1CCCCC1 ZINC000038042051 174044340 /nfs/dbraw/zinc/04/43/40/174044340.db2.gz FJSPKOVBEPTSLW-CVEARBPZSA-N 1 1 285.435 3.331 20 30 CGEDMO CCOC(=O)CCCCC[N@@H+](C)Cc1cccc(C#N)c1 ZINC000071293417 176111890 /nfs/dbraw/zinc/11/18/90/176111890.db2.gz BHAVOIALBJEDAL-UHFFFAOYSA-N 1 1 288.391 3.114 20 30 CGEDMO CCCCC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000078774839 177385541 /nfs/dbraw/zinc/38/55/41/177385541.db2.gz OYSIKYCUXCCNFF-UHFFFAOYSA-N 1 1 271.408 3.261 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)CC1CCCCC1 ZINC000219617503 416521122 /nfs/dbraw/zinc/52/11/22/416521122.db2.gz UAFTYKVKFPTADD-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C[C@H](NCCC[N@H+]1CCCC[C@@H]1C)c1cccc(C#N)c1 ZINC000037200226 260074151 /nfs/dbraw/zinc/07/41/51/260074151.db2.gz NNMFLLLWHNSADL-HOTGVXAUSA-N 1 1 285.435 3.473 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)cc1 ZINC000679357745 543626902 /nfs/dbraw/zinc/62/69/02/543626902.db2.gz FISXUXHXIKEIRS-CZUORRHYSA-N 1 1 263.356 3.431 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000680113971 543685743 /nfs/dbraw/zinc/68/57/43/543685743.db2.gz ZUBKOISLTMWPIF-DOTOQJQBSA-N 1 1 259.393 3.030 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](OC)CC1 ZINC000680003609 543674835 /nfs/dbraw/zinc/67/48/35/543674835.db2.gz IOOLXTXKWHPXDF-MRXNPFEDSA-N 1 1 275.392 3.252 20 30 CGEDMO C=C(C)[C@@H](CO)[NH2+][C@H](CC)c1nc(C(F)(F)F)cs1 ZINC000680401820 543708817 /nfs/dbraw/zinc/70/88/17/543708817.db2.gz OBRBVFPNJQGGIQ-RKDXNWHRSA-N 1 1 294.342 3.140 20 30 CGEDMO N#C[C@H]1CC[C@H]([N@H+]2CCSC3(CCC3)CC2)C1 ZINC000334732652 225294101 /nfs/dbraw/zinc/29/41/01/225294101.db2.gz MMMLKPYIDSFIHR-STQMWFEESA-N 1 1 250.411 3.040 20 30 CGEDMO C[N@H+](Cc1c[nH]nc1C(C)(C)C)Cc1cccc(C#N)c1 ZINC000130774906 287362945 /nfs/dbraw/zinc/36/29/45/287362945.db2.gz OGCZWHDYCWMRHC-UHFFFAOYSA-N 1 1 282.391 3.211 20 30 CGEDMO C[N@@H+](Cc1c[nH]nc1C(C)(C)C)Cc1cccc(C#N)c1 ZINC000130774906 287362946 /nfs/dbraw/zinc/36/29/46/287362946.db2.gz OGCZWHDYCWMRHC-UHFFFAOYSA-N 1 1 282.391 3.211 20 30 CGEDMO Cc1cccn2c(C[N@@H+](C)Cc3cccc(C#N)c3)cnc12 ZINC000130771436 287362981 /nfs/dbraw/zinc/36/29/81/287362981.db2.gz RCXDXZMVKGCKRA-UHFFFAOYSA-N 1 1 290.370 3.146 20 30 CGEDMO Cc1cccn2c(C[N@H+](C)Cc3cccc(C#N)c3)cnc12 ZINC000130771436 287362982 /nfs/dbraw/zinc/36/29/82/287362982.db2.gz RCXDXZMVKGCKRA-UHFFFAOYSA-N 1 1 290.370 3.146 20 30 CGEDMO Cc1cccc2nc(C[NH2+][C@@H]3CCC[C@H](C#N)C3)[nH]c21 ZINC000336628795 227220648 /nfs/dbraw/zinc/22/06/48/227220648.db2.gz MZTNNEKPDOQSOC-QWHCGFSZSA-N 1 1 268.364 3.043 20 30 CGEDMO C=CCCn1cc(C[N@H+]2CCC[C@H]2c2ccccc2C)nn1 ZINC000653499375 419037310 /nfs/dbraw/zinc/03/73/10/419037310.db2.gz IZCRIDHZDXTKPF-SFHVURJKSA-N 1 1 296.418 3.500 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CCC[C@H]2c2ccccc2C)nn1 ZINC000653499375 419037315 /nfs/dbraw/zinc/03/73/15/419037315.db2.gz IZCRIDHZDXTKPF-SFHVURJKSA-N 1 1 296.418 3.500 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000659947032 419042713 /nfs/dbraw/zinc/04/27/13/419042713.db2.gz LKLBQCGJQYRLNB-BZUAXINKSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC000659821721 419000601 /nfs/dbraw/zinc/00/06/01/419000601.db2.gz FCHFDHGUZMSEIV-RCCFBDPRSA-N 1 1 298.430 3.122 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@@H](C)c2cccc(C)c2C)nn1 ZINC000653605000 419058444 /nfs/dbraw/zinc/05/84/44/419058444.db2.gz BUULFRNOOVMWCG-HNNXBMFYSA-N 1 1 284.407 3.322 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CCC[C@H](C(C)(C)C)C2)nn1 ZINC000653654588 419065839 /nfs/dbraw/zinc/06/58/39/419065839.db2.gz YHCUVVSOBIZKGZ-AWEZNQCLSA-N 1 1 276.428 3.112 20 30 CGEDMO C=CCOc1ccccc1C[NH+]1CC2(CC2(F)F)C1 ZINC000656266973 419161066 /nfs/dbraw/zinc/16/10/66/419161066.db2.gz MUYHLEDEVVKPCX-UHFFFAOYSA-N 1 1 265.303 3.092 20 30 CGEDMO CC[N@H+]1CCCN(CC#Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000660786692 419196018 /nfs/dbraw/zinc/19/60/18/419196018.db2.gz FBEXXCCEGQBCFL-HNNXBMFYSA-N 1 1 290.838 3.108 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@@H]2CCCc3ccccc32)nn1 ZINC000657287180 419243122 /nfs/dbraw/zinc/24/31/22/419243122.db2.gz ZYKKXQWULDTECH-QGZVFWFLSA-N 1 1 282.391 3.021 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(OC(F)F)c1)[C@H](C)COC ZINC000661242174 419244826 /nfs/dbraw/zinc/24/48/26/419244826.db2.gz HXHLVQWBAOCJDB-GFCCVEGCSA-N 1 1 285.334 3.311 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@@H](c2ccc(C)cc2)C2CC2)nn1 ZINC000657305243 419246797 /nfs/dbraw/zinc/24/67/97/419246797.db2.gz MBFXXBOMIKXODG-SFHVURJKSA-N 1 1 296.418 3.404 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)c2c[nH]c3ncccc23)C1 ZINC000661382185 419255526 /nfs/dbraw/zinc/25/55/26/419255526.db2.gz UCJXCHAYPRIOHH-ZIAGYGMSSA-N 1 1 297.402 3.422 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nn2)C1 ZINC000661378641 419255860 /nfs/dbraw/zinc/25/58/60/419255860.db2.gz JSIZKWGETSBYAL-HNNXBMFYSA-N 1 1 282.391 3.055 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](CCOCC(F)(F)C(F)F)C1 ZINC000661386907 419256745 /nfs/dbraw/zinc/25/67/45/419256745.db2.gz WFXFQGHNLHLKSR-NSHDSACASA-N 1 1 283.309 3.192 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000661434912 419259170 /nfs/dbraw/zinc/25/91/70/419259170.db2.gz CUOILFVWJFHHTE-DZGCQCFKSA-N 1 1 261.365 3.134 20 30 CGEDMO C[C@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)[C@H]1CCO ZINC000661497086 419266642 /nfs/dbraw/zinc/26/66/42/419266642.db2.gz HURSJKOXAVEJFQ-YOEHRIQHSA-N 1 1 291.822 3.174 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)[C@@H]1CCO ZINC000661497080 419266887 /nfs/dbraw/zinc/26/68/87/419266887.db2.gz HURSJKOXAVEJFQ-RHSMWYFYSA-N 1 1 291.822 3.174 20 30 CGEDMO C=CC[N@H+](CCC(=O)N1CCc2ccccc21)C(C)(C)C ZINC000661754895 419294669 /nfs/dbraw/zinc/29/46/69/419294669.db2.gz FYRFHPUBTLIQRS-UHFFFAOYSA-N 1 1 286.419 3.252 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(S(=O)(=O)CC)cc1)C(C)(C)C ZINC000661757073 419295291 /nfs/dbraw/zinc/29/52/91/419295291.db2.gz DCJJMCMGVWHOGE-UHFFFAOYSA-N 1 1 295.448 3.267 20 30 CGEDMO C=CC[N@H+](Cc1ccc(S(=O)(=O)CC)cc1)C(C)(C)C ZINC000661757073 419295293 /nfs/dbraw/zinc/29/52/93/419295293.db2.gz DCJJMCMGVWHOGE-UHFFFAOYSA-N 1 1 295.448 3.267 20 30 CGEDMO C=CC[N@H+](Cc1cccc(C(=O)N(C)C)c1)C(C)(C)C ZINC000661755601 419295477 /nfs/dbraw/zinc/29/54/77/419295477.db2.gz VOICVINCXKGESU-UHFFFAOYSA-N 1 1 274.408 3.175 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661872365 419310088 /nfs/dbraw/zinc/31/00/88/419310088.db2.gz APLLMMSHRHDBKE-OALUTQOASA-N 1 1 283.415 3.319 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(Cc2ccccc2)no1 ZINC000662081378 419333729 /nfs/dbraw/zinc/33/37/29/419333729.db2.gz WDBHHMRJWMHMHD-IYBDPMFKSA-N 1 1 295.386 3.343 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(Cc2ccccc2)no1 ZINC000662081378 419333731 /nfs/dbraw/zinc/33/37/31/419333731.db2.gz WDBHHMRJWMHMHD-IYBDPMFKSA-N 1 1 295.386 3.343 20 30 CGEDMO C[C@@H](C#N)C[N@H+](C)Cc1cccc(-c2ccncc2)c1 ZINC000352079983 228181006 /nfs/dbraw/zinc/18/10/06/228181006.db2.gz SNPCHRWPFTZAPB-AWEZNQCLSA-N 1 1 265.360 3.340 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C)Cc1cccc(-c2ccncc2)c1 ZINC000352079983 228181007 /nfs/dbraw/zinc/18/10/07/228181007.db2.gz SNPCHRWPFTZAPB-AWEZNQCLSA-N 1 1 265.360 3.340 20 30 CGEDMO C=C(C)[C@H]1OCC[C@@H]1CNc1[nH+]ccc2c(N)cccc21 ZINC000663870381 419747643 /nfs/dbraw/zinc/74/76/43/419747643.db2.gz UBRFHGZCZSXUPY-MLGOLLRUSA-N 1 1 283.375 3.210 20 30 CGEDMO C=CCC[C@H](NC(=O)Cn1cc[nH+]c1C)c1ccccc1 ZINC000297662482 260131755 /nfs/dbraw/zinc/13/17/55/260131755.db2.gz VCOXDMRMXANEHP-INIZCTEOSA-N 1 1 283.375 3.015 20 30 CGEDMO CCCCC(N)=[NH+]OCc1coc(-c2cccs2)n1 ZINC000063460125 260239854 /nfs/dbraw/zinc/23/98/54/260239854.db2.gz BNFKDRSYPZYAAJ-UHFFFAOYSA-N 1 1 279.365 3.382 20 30 CGEDMO CCc1cnc(C[NH2+]C2CC(C#N)(c3ccccc3)C2)s1 ZINC000127451108 260363504 /nfs/dbraw/zinc/36/35/04/260363504.db2.gz GCHRQWARTMRLAT-UHFFFAOYSA-N 1 1 297.427 3.419 20 30 CGEDMO C=CC[C@H]1[N@@H+](C[C@@H](O)COCC(C)C)CCCC1(C)C ZINC000444783737 261178972 /nfs/dbraw/zinc/17/89/72/261178972.db2.gz TXBLBZFLTAQZIG-HZPDHXFCSA-N 1 1 283.456 3.087 20 30 CGEDMO C#CC[N@@H+](CC[C@@H]1CCOC1)[C@@H]1CCc2ccccc21 ZINC000490714833 261191778 /nfs/dbraw/zinc/19/17/78/261191778.db2.gz RMDVXWZIKQMUHH-CRAIPNDOSA-N 1 1 269.388 3.036 20 30 CGEDMO C#C[C@@H](CC)[NH2+]Cc1csc(-c2cccs2)n1 ZINC000491724629 261939539 /nfs/dbraw/zinc/93/95/39/261939539.db2.gz GKTGRVGQWOKBCM-JTQLQIEISA-N 1 1 262.403 3.373 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1cc(F)cc2cccnc21 ZINC000184088121 262008135 /nfs/dbraw/zinc/00/81/35/262008135.db2.gz JVFLTHJOXMSRKC-CQSZACIVSA-N 1 1 257.312 3.156 20 30 CGEDMO N#C[C@@H]1CCC[C@H]([NH2+]Cc2ncc(-c3ccccc3)cn2)C1 ZINC000193289561 262219249 /nfs/dbraw/zinc/21/92/49/262219249.db2.gz AXXUUQYMPLAFFP-PBHICJAKSA-N 1 1 292.386 3.316 20 30 CGEDMO C[N@H+](Cc1ccc(F)c2cccnc12)CC(C)(C)C#N ZINC000354018931 262276217 /nfs/dbraw/zinc/27/62/17/262276217.db2.gz SYWCELCKNMZITH-UHFFFAOYSA-N 1 1 271.339 3.355 20 30 CGEDMO C[N@@H+](Cc1ccc(F)c2cccnc12)CC(C)(C)C#N ZINC000354018931 262276218 /nfs/dbraw/zinc/27/62/18/262276218.db2.gz SYWCELCKNMZITH-UHFFFAOYSA-N 1 1 271.339 3.355 20 30 CGEDMO C=CCOc1ccc(CNC[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000057994113 262350647 /nfs/dbraw/zinc/35/06/47/262350647.db2.gz WBHVZVGMEAYAOA-MRXNPFEDSA-N 1 1 288.435 3.073 20 30 CGEDMO CCOCc1cc(C[N@H+](C)CC(C)(C)C#N)ccc1OC ZINC000354040267 262354921 /nfs/dbraw/zinc/35/49/21/262354921.db2.gz OLPYQZZUMVTEPN-UHFFFAOYSA-N 1 1 290.407 3.213 20 30 CGEDMO CCOCc1cc(C[N@@H+](C)CC(C)(C)C#N)ccc1OC ZINC000354040267 262354922 /nfs/dbraw/zinc/35/49/22/262354922.db2.gz OLPYQZZUMVTEPN-UHFFFAOYSA-N 1 1 290.407 3.213 20 30 CGEDMO C[C@H]1[N@@H+](CCCCC(C)(C)C#N)CCOC1(C)C ZINC000336784806 262394607 /nfs/dbraw/zinc/39/46/07/262394607.db2.gz XVRYDMRDKQBAMR-CYBMUJFWSA-N 1 1 252.402 3.206 20 30 CGEDMO N#CCCOCC[N@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000411978080 262711412 /nfs/dbraw/zinc/71/14/12/262711412.db2.gz GRAUKOKGICEUHV-KRWDZBQOSA-N 1 1 284.403 3.186 20 30 CGEDMO C[C@@H](CCC#N)[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000276316939 263036097 /nfs/dbraw/zinc/03/60/97/263036097.db2.gz NTHZLWKQUQKIJQ-RDJZCZTQSA-N 1 1 272.392 3.012 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000276316939 263036098 /nfs/dbraw/zinc/03/60/98/263036098.db2.gz NTHZLWKQUQKIJQ-RDJZCZTQSA-N 1 1 272.392 3.012 20 30 CGEDMO CC[N@H+](Cc1c(F)cccc1F)[C@@H]1CC[C@@H](C#N)C1 ZINC000278499809 263048477 /nfs/dbraw/zinc/04/84/77/263048477.db2.gz ABFYECMOJGPTAY-VXGBXAGGSA-N 1 1 264.319 3.479 20 30 CGEDMO CC[N@@H+](Cc1c(F)cccc1F)[C@@H]1CC[C@@H](C#N)C1 ZINC000278499809 263048478 /nfs/dbraw/zinc/04/84/78/263048478.db2.gz ABFYECMOJGPTAY-VXGBXAGGSA-N 1 1 264.319 3.479 20 30 CGEDMO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCCC#N ZINC000278974021 263052315 /nfs/dbraw/zinc/05/23/15/263052315.db2.gz QJSKPFINSATCBQ-CQSZACIVSA-N 1 1 266.772 3.263 20 30 CGEDMO CCCC[N@H+](Cc1ccccc1O)C[C@@H](C#N)CCC#N ZINC000282361308 263076212 /nfs/dbraw/zinc/07/62/12/263076212.db2.gz DJLDLMXSZCOTBJ-OAHLLOKOSA-N 1 1 285.391 3.438 20 30 CGEDMO COc1cc(C[N@H+](CCC#N)CCC(C)C)ccc1C#N ZINC000282436699 263076530 /nfs/dbraw/zinc/07/65/30/263076530.db2.gz UHSCXECWDOZTBV-UHFFFAOYSA-N 1 1 285.391 3.329 20 30 CGEDMO COc1cc(C[N@@H+](CCC#N)CCC(C)C)ccc1C#N ZINC000282436699 263076531 /nfs/dbraw/zinc/07/65/31/263076531.db2.gz UHSCXECWDOZTBV-UHFFFAOYSA-N 1 1 285.391 3.329 20 30 CGEDMO C[N@@H+](CCCC(C)(C)C#N)CCc1ccccc1[N+](=O)[O-] ZINC000285389336 263092797 /nfs/dbraw/zinc/09/27/97/263092797.db2.gz SIWATZRHTLICBM-UHFFFAOYSA-N 1 1 289.379 3.399 20 30 CGEDMO Cc1cnn([C@@H]2CC[N@@H+](CCCCC(C)(C)C#N)C2)c1 ZINC000290097699 263114694 /nfs/dbraw/zinc/11/46/94/263114694.db2.gz ZYYNOAYSBVXXNJ-OAHLLOKOSA-N 1 1 274.412 3.158 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000291814560 263125764 /nfs/dbraw/zinc/12/57/64/263125764.db2.gz NOYXIDUADYDLJW-INIZCTEOSA-N 1 1 294.402 3.131 20 30 CGEDMO N#CCC[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000292773730 263134852 /nfs/dbraw/zinc/13/48/52/263134852.db2.gz UCZHEKZYHLHTFR-CYBMUJFWSA-N 1 1 293.208 3.227 20 30 CGEDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@@H]1CC[C@@H](C#N)C1 ZINC000293493578 263141872 /nfs/dbraw/zinc/14/18/72/263141872.db2.gz NHDFMDDEDGERAF-UKRRQHHQSA-N 1 1 288.391 3.218 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](Nc3ccccc3)C2)C1 ZINC000293836481 263150554 /nfs/dbraw/zinc/15/05/54/263150554.db2.gz QESQVJMQQYXFJP-PVAVHDDUSA-N 1 1 269.392 3.255 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CC[C@@H](C#N)C1 ZINC000297716322 263208605 /nfs/dbraw/zinc/20/86/05/263208605.db2.gz BFKPFKJHEUONOT-NVXWUHKLSA-N 1 1 265.360 3.239 20 30 CGEDMO C[C@@H](CCC#N)[N@@H+](C)CCCOc1ccc(F)cc1 ZINC000297956059 263212817 /nfs/dbraw/zinc/21/28/17/263212817.db2.gz UBEHUUWXCGFTKG-ZDUSSCGKSA-N 1 1 264.344 3.219 20 30 CGEDMO COc1ccc([C@H](Cc2ccccc2)[NH2+]CCC#N)cc1 ZINC000298419128 263219542 /nfs/dbraw/zinc/21/95/42/263219542.db2.gz FUPBRMWXDJAISA-SFHVURJKSA-N 1 1 280.371 3.482 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccnn1CC ZINC000120057225 263281168 /nfs/dbraw/zinc/28/11/68/263281168.db2.gz DIFMQGWPYJXKJR-UHFFFAOYSA-N 1 1 269.392 3.134 20 30 CGEDMO C#CCCCCC(=O)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000120914229 263288638 /nfs/dbraw/zinc/28/86/38/263288638.db2.gz HEMNOGMISCEOTP-QGZVFWFLSA-N 1 1 296.414 3.191 20 30 CGEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1CC ZINC000341170297 263324943 /nfs/dbraw/zinc/32/49/43/263324943.db2.gz OXENNNHKNNTJBJ-IAGOWNOFSA-N 1 1 289.419 3.029 20 30 CGEDMO C=C1CC[NH+]([C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000342000872 263375117 /nfs/dbraw/zinc/37/51/17/263375117.db2.gz ZQYOSHDKORQERC-GJZGRUSLSA-N 1 1 284.403 3.005 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000343267401 264279783 /nfs/dbraw/zinc/27/97/83/264279783.db2.gz JFFWVFMOWBQJTP-ZBFHGGJFSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)Nc1ccccc1OC(F)F ZINC000076736282 264342805 /nfs/dbraw/zinc/34/28/05/264342805.db2.gz FBHTXUSJPUOOPA-UHFFFAOYSA-N 1 1 298.333 3.125 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000076801643 264344116 /nfs/dbraw/zinc/34/41/16/264344116.db2.gz IXVCNXRDMLGGDF-LBPRGKRZSA-N 1 1 272.352 3.091 20 30 CGEDMO C=CCC[C@H](NCC(C)(C)[NH+](C)C)c1ccco1 ZINC000285623778 264555574 /nfs/dbraw/zinc/55/55/74/264555574.db2.gz KYAULYSNVIDQOU-ZDUSSCGKSA-N 1 1 250.386 3.217 20 30 CGEDMO C=CCOCCC[N@H+](C)[C@@H](C)c1ccccc1F ZINC000347967350 265138972 /nfs/dbraw/zinc/13/89/72/265138972.db2.gz HCCLNSCNYMQVQO-ZDUSSCGKSA-N 1 1 251.345 3.411 20 30 CGEDMO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000114564123 266395325 /nfs/dbraw/zinc/39/53/25/266395325.db2.gz XGGVLMJBKJPPBI-HOTGVXAUSA-N 1 1 257.381 3.252 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(F)c2cccnc12 ZINC000358284005 266448184 /nfs/dbraw/zinc/44/81/84/266448184.db2.gz GGYUELKYMCCVOD-GFCCVEGCSA-N 1 1 257.312 3.156 20 30 CGEDMO C=CCCCCCCNC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000367865884 267123167 /nfs/dbraw/zinc/12/31/67/267123167.db2.gz QTOMUVCGMKWRCU-JKSUJKDBSA-N 1 1 293.455 3.049 20 30 CGEDMO C=CCCCCCCNC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000367865883 267123330 /nfs/dbraw/zinc/12/33/30/267123330.db2.gz QTOMUVCGMKWRCU-HZPDHXFCSA-N 1 1 293.455 3.049 20 30 CGEDMO CC(C)[C@@]1(CO)CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000368068436 267144023 /nfs/dbraw/zinc/14/40/23/267144023.db2.gz ICAWNALRPMOVJK-KRWDZBQOSA-N 1 1 291.822 3.032 20 30 CGEDMO COCCCC[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000369802546 267267620 /nfs/dbraw/zinc/26/76/20/267267620.db2.gz CYJRGKGHBNYCIP-DLBZAZTESA-N 1 1 272.392 3.185 20 30 CGEDMO N#CCCCC[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000369803569 267267991 /nfs/dbraw/zinc/26/79/91/267267991.db2.gz MWQLUAWEYWTUMO-DLBZAZTESA-N 1 1 267.376 3.452 20 30 CGEDMO C[N@@H+](Cc1cccc(O)c1)Cc1ccc(F)c(C#N)c1 ZINC000531833667 267318847 /nfs/dbraw/zinc/31/88/47/267318847.db2.gz VNKODPNBVQKSCI-UHFFFAOYSA-N 1 1 270.307 3.035 20 30 CGEDMO CC(C)C[C@H]1CCC[N@@H+](CCCSCC#N)C1 ZINC000119333526 267323120 /nfs/dbraw/zinc/32/31/20/267323120.db2.gz XJAPOUAGNPMXDU-CQSZACIVSA-N 1 1 254.443 3.391 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC=C(c2cccc(OC)c2)CC1 ZINC000370505858 267325370 /nfs/dbraw/zinc/32/53/70/267325370.db2.gz ZOIBEKUYVKGGGY-KRWDZBQOSA-N 1 1 287.403 3.111 20 30 CGEDMO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000528769973 270172392 /nfs/dbraw/zinc/17/23/92/270172392.db2.gz SAFBRJIKBBWKRY-SNVBAGLBSA-N 1 1 268.282 3.317 20 30 CGEDMO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC000528769973 270172393 /nfs/dbraw/zinc/17/23/93/270172393.db2.gz SAFBRJIKBBWKRY-SNVBAGLBSA-N 1 1 268.282 3.317 20 30 CGEDMO N#CC1(CCC[N@H+]2CC[C@H](c3ccco3)C2)CCOCC1 ZINC000377107938 268048686 /nfs/dbraw/zinc/04/86/86/268048686.db2.gz XBWDHPBPJDMHLB-HNNXBMFYSA-N 1 1 288.391 3.169 20 30 CGEDMO Cc1ccnc(NC[C@H]2CC[N@H+]2C2CCCCC2)c1C#N ZINC000528114625 268064127 /nfs/dbraw/zinc/06/41/27/268064127.db2.gz AAXRDTXSVOHXQT-OAHLLOKOSA-N 1 1 284.407 3.081 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000530963453 268218818 /nfs/dbraw/zinc/21/88/18/268218818.db2.gz RSXYKDQIWRWTAS-QGZVFWFLSA-N 1 1 263.344 3.290 20 30 CGEDMO C[C@H](O)C[N@H+](Cc1ccccc1)Cc1cc(F)ccc1C#N ZINC000532091693 270213717 /nfs/dbraw/zinc/21/37/17/270213717.db2.gz JWVPTTKTFDXQPM-AWEZNQCLSA-N 1 1 298.361 3.080 20 30 CGEDMO C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1C#N ZINC000532091693 270213718 /nfs/dbraw/zinc/21/37/18/270213718.db2.gz JWVPTTKTFDXQPM-AWEZNQCLSA-N 1 1 298.361 3.080 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2cccnc2C#N)C1 ZINC000290522303 274286500 /nfs/dbraw/zinc/28/65/00/274286500.db2.gz GMSKWKUZXXKZRF-HZPDHXFCSA-N 1 1 298.434 3.044 20 30 CGEDMO C#CC[N@@H+](CC)[C@@H](C)C(=O)Nc1c(C)cccc1C(C)C ZINC000267360513 275381230 /nfs/dbraw/zinc/38/12/30/275381230.db2.gz WLPYVGVGVWJYKG-HNNXBMFYSA-N 1 1 286.419 3.401 20 30 CGEDMO C#CC[N@H+](CC)[C@@H](C)C(=O)Nc1c(C)cccc1C(C)C ZINC000267360513 275381231 /nfs/dbraw/zinc/38/12/31/275381231.db2.gz WLPYVGVGVWJYKG-HNNXBMFYSA-N 1 1 286.419 3.401 20 30 CGEDMO C#CC[C@H]([NH2+][C@H](C)c1nccnc1C)c1ccccc1 ZINC000275866878 275385251 /nfs/dbraw/zinc/38/52/51/275385251.db2.gz NPRFYRPEGYDIGN-ZBFHGGJFSA-N 1 1 265.360 3.200 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H](C)CCOC ZINC000411162111 276001773 /nfs/dbraw/zinc/00/17/73/276001773.db2.gz CPDSUQYFUQUIKO-AWEZNQCLSA-N 1 1 260.381 3.195 20 30 CGEDMO CC[C@@H]([NH2+]Cc1ncnn1C(C)(C)C)c1ccc(C#N)cc1 ZINC000282693946 276438288 /nfs/dbraw/zinc/43/82/88/276438288.db2.gz KMVWCBJZKWRCNT-OAHLLOKOSA-N 1 1 297.406 3.146 20 30 CGEDMO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1cscn1 ZINC000162383088 278379181 /nfs/dbraw/zinc/37/91/81/278379181.db2.gz IYFRPUDDHQPLJL-GHMZBOCLSA-N 1 1 257.362 3.427 20 30 CGEDMO CC[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(C#N)cc1 ZINC000373028277 288090462 /nfs/dbraw/zinc/09/04/62/288090462.db2.gz XXQYCZOJPZUFHD-BZSNNMDCSA-N 1 1 283.419 3.226 20 30 CGEDMO CC[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(C#N)cc1 ZINC000373028277 288090464 /nfs/dbraw/zinc/09/04/64/288090464.db2.gz XXQYCZOJPZUFHD-BZSNNMDCSA-N 1 1 283.419 3.226 20 30 CGEDMO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(C#N)o1 ZINC000179909811 279017158 /nfs/dbraw/zinc/01/71/58/279017158.db2.gz UJDMIFIDNAIIRZ-GFCCVEGCSA-N 1 1 252.317 3.098 20 30 CGEDMO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(C#N)o1 ZINC000179909811 279017160 /nfs/dbraw/zinc/01/71/60/279017160.db2.gz UJDMIFIDNAIIRZ-GFCCVEGCSA-N 1 1 252.317 3.098 20 30 CGEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)C[C@@H]1CC=CCC1 ZINC000554886455 289317025 /nfs/dbraw/zinc/31/70/25/289317025.db2.gz KVKDCSUYOHTANM-QGZVFWFLSA-N 1 1 284.403 3.363 20 30 CGEDMO C[C@@H](C#N)C[N@H+](C[C@H]1CCC2(CCCC2)O1)C1CC1 ZINC000571107535 328086034 /nfs/dbraw/zinc/08/60/34/328086034.db2.gz KUJKPKRKTADRIR-DZGCQCFKSA-N 1 1 262.397 3.102 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C[C@H]1CCC2(CCCC2)O1)C1CC1 ZINC000571107535 328086035 /nfs/dbraw/zinc/08/60/35/328086035.db2.gz KUJKPKRKTADRIR-DZGCQCFKSA-N 1 1 262.397 3.102 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccccc2C(F)(F)F)CC1 ZINC000582463382 329087432 /nfs/dbraw/zinc/08/74/32/329087432.db2.gz DTTQBTGXQQRRIZ-UHFFFAOYSA-N 1 1 254.255 3.099 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)Cc1ccc(OCC#N)cc1 ZINC000264601280 328160620 /nfs/dbraw/zinc/16/06/20/328160620.db2.gz DWPFJURQRSSFJW-UHFFFAOYSA-N 1 1 285.391 3.351 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc(OCC#N)cc1 ZINC000264601280 328160622 /nfs/dbraw/zinc/16/06/22/328160622.db2.gz DWPFJURQRSSFJW-UHFFFAOYSA-N 1 1 285.391 3.351 20 30 CGEDMO FC(F)(F)c1ccc(C#CC[NH+]2CCSCC2)cc1 ZINC000177258219 329182031 /nfs/dbraw/zinc/18/20/31/329182031.db2.gz AXEPWMSFQJBLLV-UHFFFAOYSA-N 1 1 285.334 3.106 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(SC)c1 ZINC000181272789 329228758 /nfs/dbraw/zinc/22/87/58/329228758.db2.gz OVALZBUGTFSTGU-LBPRGKRZSA-N 1 1 278.421 3.243 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1cccc(SC)c1 ZINC000181272789 329228760 /nfs/dbraw/zinc/22/87/60/329228760.db2.gz OVALZBUGTFSTGU-LBPRGKRZSA-N 1 1 278.421 3.243 20 30 CGEDMO N#CCCOCC[N@H+](Cc1ccco1)Cc1cccs1 ZINC000292940690 328273960 /nfs/dbraw/zinc/27/39/60/328273960.db2.gz AXCBOOHFHVZDTC-UHFFFAOYSA-N 1 1 290.388 3.274 20 30 CGEDMO N#CCCOCC[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000292940690 328273961 /nfs/dbraw/zinc/27/39/61/328273961.db2.gz AXCBOOHFHVZDTC-UHFFFAOYSA-N 1 1 290.388 3.274 20 30 CGEDMO CC[N@@H+](Cc1ccc(OC)cc1)[C@H]1CC[C@H](C#N)C1 ZINC000293556649 328276560 /nfs/dbraw/zinc/27/65/60/328276560.db2.gz RQNWZLUEEUEKCA-GJZGRUSLSA-N 1 1 258.365 3.209 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000564449432 322031635 /nfs/dbraw/zinc/03/16/35/322031635.db2.gz CQRSZHFUCVXSIL-ZIAGYGMSSA-N 1 1 270.376 3.263 20 30 CGEDMO C[C@H]1C[C@@H](Nc2cccc(C(F)F)c2C#N)CC[N@H+]1C ZINC000569355187 322244903 /nfs/dbraw/zinc/24/49/03/322244903.db2.gz AQJZNKNOZDLZDM-QWRGUYRKSA-N 1 1 279.334 3.390 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])CC1CCCCC1 ZINC000570216154 322267757 /nfs/dbraw/zinc/26/77/57/322267757.db2.gz OJMASEKUSYLNPQ-UHFFFAOYSA-N 1 1 287.363 3.479 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)Cc1ccc(Br)cc1 ZINC000121118594 328364951 /nfs/dbraw/zinc/36/49/51/328364951.db2.gz BSIVKBSPTBQOHU-CQSZACIVSA-N 1 1 298.224 3.208 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000535077696 328384713 /nfs/dbraw/zinc/38/47/13/328384713.db2.gz YTFJMHQQOZMVMC-GFCCVEGCSA-N 1 1 292.345 3.360 20 30 CGEDMO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1ccc(CC)cc1 ZINC000556571971 326951050 /nfs/dbraw/zinc/95/10/50/326951050.db2.gz AZPJCCQWCHWRTM-AWEZNQCLSA-N 1 1 272.392 3.250 20 30 CGEDMO CC(C)N(C)c1ccccc1C[NH2+]C[C@@H](C#N)CCC#N ZINC000565989150 327103206 /nfs/dbraw/zinc/10/32/06/327103206.db2.gz KNCABZOQISHYLH-OAHLLOKOSA-N 1 1 284.407 3.064 20 30 CGEDMO Cc1c2ccccc2n(C)c1C[NH2+]C[C@@H](C#N)CCC#N ZINC000558786802 327120310 /nfs/dbraw/zinc/12/03/10/327120310.db2.gz ISAILMKLKNVXHX-CQSZACIVSA-N 1 1 280.375 3.020 20 30 CGEDMO COc1ccc([C@H](C)[N@@H+](C)CCCSCC#N)cc1 ZINC000074980523 327122446 /nfs/dbraw/zinc/12/24/46/327122446.db2.gz IVTKKRXNKWJEBQ-ZDUSSCGKSA-N 1 1 278.421 3.335 20 30 CGEDMO COc1ccc(C[C@H](C)C[N@@H+](C)[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000559146018 327143281 /nfs/dbraw/zinc/14/32/81/327143281.db2.gz ZSSWFOPCHQFJRM-UAGQMJEPSA-N 1 1 286.419 3.498 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000559400465 327243469 /nfs/dbraw/zinc/24/34/69/327243469.db2.gz YDQRWSXZPKVQDQ-CQSZACIVSA-N 1 1 251.757 3.369 20 30 CGEDMO C=CCCCCC[NH2+][C@@H](Cc1ccccc1)[C@@H](C)N ZINC000570696394 327611969 /nfs/dbraw/zinc/61/19/69/327611969.db2.gz LOCFAWJQCFROON-WBVHZDCISA-N 1 1 260.425 3.281 20 30 CGEDMO C[C@H]1Cc2[nH+]cn(Cc3ccc(CC#N)cc3)c2C[C@@H]1C ZINC000399148421 328668594 /nfs/dbraw/zinc/66/85/94/328668594.db2.gz XXNTXLFGEIJDGK-KBPBESRZSA-N 1 1 279.387 3.368 20 30 CGEDMO CC(C)[C@]1(CO)CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000377660438 329023419 /nfs/dbraw/zinc/02/34/19/329023419.db2.gz WUVWTZNLHGPPBH-MRXNPFEDSA-N 1 1 266.429 3.047 20 30 CGEDMO C=CC1CC[NH+](Cc2ccc(Br)cn2)CC1 ZINC000171961026 329082641 /nfs/dbraw/zinc/08/26/41/329082641.db2.gz CSLIETNUYCOVON-UHFFFAOYSA-N 1 1 281.197 3.242 20 30 CGEDMO C=CCCCC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000175681106 329167741 /nfs/dbraw/zinc/16/77/41/329167741.db2.gz PVACTJYIMVAQFC-QGZVFWFLSA-N 1 1 286.419 3.124 20 30 CGEDMO C[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)c1ccccn1 ZINC000181786768 329237092 /nfs/dbraw/zinc/23/70/92/329237092.db2.gz NINCUBXSWFHCAZ-CYBMUJFWSA-N 1 1 270.763 3.437 20 30 CGEDMO C[C@H]1C[N@@H+](CCCSCC#N)[C@H]2CCCC[C@H]12 ZINC000182493031 329242293 /nfs/dbraw/zinc/24/22/93/329242293.db2.gz FBVUZHQNHKKBNC-MJBXVCDLSA-N 1 1 252.427 3.144 20 30 CGEDMO CC[C@@H]1CN(c2ccccc2)CC[N@H+]1CCCCC#N ZINC000184019476 329252428 /nfs/dbraw/zinc/25/24/28/329252428.db2.gz RKHMPVNWYPVNJW-MRXNPFEDSA-N 1 1 271.408 3.281 20 30 CGEDMO CC(C)C[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000582913022 329287945 /nfs/dbraw/zinc/28/79/45/329287945.db2.gz PSULBLGUQLIUJV-INIZCTEOSA-N 1 1 257.381 3.354 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCCC3(CC3)C2)cc1 ZINC000186625064 329346860 /nfs/dbraw/zinc/34/68/60/329346860.db2.gz AEKBBBJIHIRLEY-CQSZACIVSA-N 1 1 270.376 3.353 20 30 CGEDMO C=CCC1(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CCC1 ZINC000189970367 329390828 /nfs/dbraw/zinc/39/08/28/329390828.db2.gz PWCRTFLARJMPGG-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@@H]([NH2+]Cc1ncccn1)c1ccccc1 ZINC000192159943 329429852 /nfs/dbraw/zinc/42/98/52/329429852.db2.gz KYNHNXPEMVDSSM-OAHLLOKOSA-N 1 1 253.349 3.274 20 30 CGEDMO CC(C)Cc1ncc(C[NH+]2CCC(C#N)CC2)s1 ZINC000123782173 329562752 /nfs/dbraw/zinc/56/27/52/329562752.db2.gz SMAHPGSVLOCCET-UHFFFAOYSA-N 1 1 263.410 3.077 20 30 CGEDMO CC#CCC[N@@H+](C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000274202170 330103982 /nfs/dbraw/zinc/10/39/82/330103982.db2.gz UJAQYCUCJCXMFH-IRXDYDNUSA-N 1 1 275.367 3.391 20 30 CGEDMO C#Cc1ccc(CN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000279146225 330121705 /nfs/dbraw/zinc/12/17/05/330121705.db2.gz ZORLFDVCKZOYOH-QFBILLFUSA-N 1 1 296.458 3.411 20 30 CGEDMO C#Cc1ccc(CN[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000279146225 330121707 /nfs/dbraw/zinc/12/17/07/330121707.db2.gz ZORLFDVCKZOYOH-QFBILLFUSA-N 1 1 296.458 3.411 20 30 CGEDMO C=C[C@@H]1OCC[C@H]1CNc1[nH+]ccc2ccccc21 ZINC000528038510 330303311 /nfs/dbraw/zinc/30/33/11/330303311.db2.gz OKBYIOLBYMZXQD-ZFWWWQNUSA-N 1 1 254.333 3.238 20 30 CGEDMO C=CCn1cc(C[NH2+][C@H](CC)c2ccc(CC)cc2)nn1 ZINC000424299583 330336849 /nfs/dbraw/zinc/33/68/49/330336849.db2.gz VQHYLXPXYPTWJF-QGZVFWFLSA-N 1 1 284.407 3.267 20 30 CGEDMO C[C@H]1CCCC[C@H]1[NH+]1CCC(N[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000424316774 330339626 /nfs/dbraw/zinc/33/96/26/330339626.db2.gz BJKBUQQHPSFGNR-CWLKWCNXSA-N 1 1 289.467 3.311 20 30 CGEDMO C=C1CC[NH+]([C@@H](C)C(=O)N2c3ccccc3CC[C@H]2C)CC1 ZINC000533280531 330356385 /nfs/dbraw/zinc/35/63/85/330356385.db2.gz CQAVVHHFAHVGIU-CVEARBPZSA-N 1 1 298.430 3.395 20 30 CGEDMO C=CCCC[N@@H+](CC(N)=O)[C@@H](C)c1ccc(CCC)cc1 ZINC000533348753 330358356 /nfs/dbraw/zinc/35/83/56/330358356.db2.gz FOGMOEMJCBTSKS-HNNXBMFYSA-N 1 1 288.435 3.454 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000424586899 330390702 /nfs/dbraw/zinc/39/07/02/330390702.db2.gz GELJPRQIXZGJRA-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@H](N2CCCCC2)C1 ZINC000537038182 330393323 /nfs/dbraw/zinc/39/33/23/330393323.db2.gz WHCXJZQXRPPWCT-HOTGVXAUSA-N 1 1 250.430 3.291 20 30 CGEDMO C=CCCC[C@H](C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000537038182 330393324 /nfs/dbraw/zinc/39/33/24/330393324.db2.gz WHCXJZQXRPPWCT-HOTGVXAUSA-N 1 1 250.430 3.291 20 30 CGEDMO C=CCCC[NH2+][C@H](C(=O)OC(C)(C)C)[C@@H](C)CC ZINC000537292383 330431277 /nfs/dbraw/zinc/43/12/77/330431277.db2.gz ZVRZCWMLNNCJFL-STQMWFEESA-N 1 1 255.402 3.299 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000449242604 330908993 /nfs/dbraw/zinc/90/89/93/330908993.db2.gz GJPHBJJJGVTLLN-HNNXBMFYSA-N 1 1 286.354 3.008 20 30 CGEDMO Cc1cccc2c1CC(C)(C)[N@@H+](CC1(C#N)CC1)C2 ZINC000451263186 331022380 /nfs/dbraw/zinc/02/23/80/331022380.db2.gz QNWYXLTWQQLGMN-UHFFFAOYSA-N 1 1 254.377 3.436 20 30 CGEDMO CO[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC000451576566 331035072 /nfs/dbraw/zinc/03/50/72/331035072.db2.gz UKKFWXVPCJYQJL-CJNGLKHVSA-N 1 1 277.795 3.048 20 30 CGEDMO CO[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC000451576566 331035073 /nfs/dbraw/zinc/03/50/73/331035073.db2.gz UKKFWXVPCJYQJL-CJNGLKHVSA-N 1 1 277.795 3.048 20 30 CGEDMO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000451596113 331035487 /nfs/dbraw/zinc/03/54/87/331035487.db2.gz GEOIVCSTDOKMPQ-YUELXQCFSA-N 1 1 299.374 3.039 20 30 CGEDMO CC[C@@H]1C[N@@H+](CC)CCN1Cc1ccccc1C(C)(C)C#N ZINC000451729080 331040465 /nfs/dbraw/zinc/04/04/65/331040465.db2.gz IXIJSEUJNAITTE-QGZVFWFLSA-N 1 1 299.462 3.404 20 30 CGEDMO CC[C@@H]1CN(CC)CC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000451729080 331040466 /nfs/dbraw/zinc/04/04/66/331040466.db2.gz IXIJSEUJNAITTE-QGZVFWFLSA-N 1 1 299.462 3.404 20 30 CGEDMO CC[C@@H]1CN(CC)CC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000451729080 331040467 /nfs/dbraw/zinc/04/04/67/331040467.db2.gz IXIJSEUJNAITTE-QGZVFWFLSA-N 1 1 299.462 3.404 20 30 CGEDMO C[N@@H+](CCCCC(C)(C)C#N)[C@@H](CO)CC(C)(C)C ZINC000451791318 331042122 /nfs/dbraw/zinc/04/21/22/331042122.db2.gz PWHDEVQQVCNTRJ-CQSZACIVSA-N 1 1 268.445 3.435 20 30 CGEDMO COC[C@@H]1CCC[N@@H+](CCCCC(C)(C)C#N)CC1 ZINC000452102332 331054261 /nfs/dbraw/zinc/05/42/61/331054261.db2.gz KOTRVFJMQUQPFN-OAHLLOKOSA-N 1 1 266.429 3.455 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H](CCCO)C1 ZINC000452127085 331055204 /nfs/dbraw/zinc/05/52/04/331055204.db2.gz KUYDEJLGVQSPTK-HNNXBMFYSA-N 1 1 286.419 3.082 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C[C@@H]1C[C@H]1c1ccccc1)C1CC1 ZINC000459360355 331278127 /nfs/dbraw/zinc/27/81/27/331278127.db2.gz ROOVGNCXWNWPEV-QRTARXTBSA-N 1 1 254.377 3.414 20 30 CGEDMO CC[N@@H+]1C[C@@H](C)N(CC#Cc2ccccc2Cl)[C@@H](C)C1 ZINC000459480232 331284075 /nfs/dbraw/zinc/28/40/75/331284075.db2.gz OVRDKSWEKFLWDQ-GASCZTMLSA-N 1 1 290.838 3.106 20 30 CGEDMO N#CCc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1 ZINC000459794103 331301368 /nfs/dbraw/zinc/30/13/68/331301368.db2.gz LUCGOJIHCCSLQG-RBUKOAKNSA-N 1 1 298.430 3.126 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@@](C)(CCC)C1 ZINC000464839243 331370585 /nfs/dbraw/zinc/37/05/85/331370585.db2.gz PGXTYOGEPHJRLT-SJLPKXTDSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](CC)C[C@@H](C)CC ZINC000489337920 332047538 /nfs/dbraw/zinc/04/75/38/332047538.db2.gz XWUVUYBBLCLOPW-LSDHHAIUSA-N 1 1 268.445 3.168 20 30 CGEDMO COc1cccc2c1CC[N@@H+](CC#Cc1ccccc1)CC2 ZINC000489582215 332060203 /nfs/dbraw/zinc/06/02/03/332060203.db2.gz KXCCAIYVQQPSHD-UHFFFAOYSA-N 1 1 291.394 3.148 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1ccc(Oc2ccccc2)nn1 ZINC000491072115 332146675 /nfs/dbraw/zinc/14/66/75/332146675.db2.gz PTVZOWTUESLIOT-UHFFFAOYSA-N 1 1 281.359 3.113 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1ccc(Oc2ccccc2)nn1 ZINC000491072115 332146677 /nfs/dbraw/zinc/14/66/77/332146677.db2.gz PTVZOWTUESLIOT-UHFFFAOYSA-N 1 1 281.359 3.113 20 30 CGEDMO Clc1ccc(C#CC[N@H+]2CC[C@H](C3CC3)C2)cc1 ZINC000491108539 332150541 /nfs/dbraw/zinc/15/05/41/332150541.db2.gz HEWJIZVQCPGNNQ-HNNXBMFYSA-N 1 1 259.780 3.423 20 30 CGEDMO C#C[C@H](Nc1cc(C)[nH+]c(C)n1)c1ccc(F)cc1 ZINC000491568492 332239897 /nfs/dbraw/zinc/23/98/97/332239897.db2.gz QUGQSJWABKJZKL-AWEZNQCLSA-N 1 1 255.296 3.019 20 30 CGEDMO CC[N@@H+](CCc1ccc(Cl)cc1)C[C@H](C)C#N ZINC000308642026 333037204 /nfs/dbraw/zinc/03/72/04/333037204.db2.gz FGVOQWWEMNTXBL-GFCCVEGCSA-N 1 1 250.773 3.364 20 30 CGEDMO C=CCC[C@@H]([NH2+]Cc1nc(C2CC2)nn1C)c1ccccc1 ZINC000516924671 333086463 /nfs/dbraw/zinc/08/64/63/333086463.db2.gz SBHSXUQRWBLGND-MRXNPFEDSA-N 1 1 296.418 3.490 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000190079486 333203070 /nfs/dbraw/zinc/20/30/70/333203070.db2.gz QORMAXAEKSNHQQ-KRWDZBQOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCSC[C@H](C)C2)c1 ZINC000190850469 333211729 /nfs/dbraw/zinc/21/17/29/333211729.db2.gz UUZVSZVYVFAGDF-CQSZACIVSA-N 1 1 277.433 3.436 20 30 CGEDMO C=CC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCOC ZINC000191109133 333215220 /nfs/dbraw/zinc/21/52/20/333215220.db2.gz OZBKEMKCGGYSQG-UHFFFAOYSA-N 1 1 297.320 3.191 20 30 CGEDMO C=CC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCOC ZINC000191109133 333215222 /nfs/dbraw/zinc/21/52/22/333215222.db2.gz OZBKEMKCGGYSQG-UHFFFAOYSA-N 1 1 297.320 3.191 20 30 CGEDMO C=CC[N@H+](CCOC)CC1CCC(C(F)(F)F)CC1 ZINC000191762174 333224700 /nfs/dbraw/zinc/22/47/00/333224700.db2.gz KEUILHRLUAMVJR-UHFFFAOYSA-N 1 1 279.346 3.490 20 30 CGEDMO C=CCCCCC[N@H+]1CC[S@](=O)C(CC)(CC)C1 ZINC000193560570 333253374 /nfs/dbraw/zinc/25/33/74/333253374.db2.gz ZFEIFKMDNYCHBA-SFHVURJKSA-N 1 1 271.470 3.356 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC000523551932 333332843 /nfs/dbraw/zinc/33/28/43/333332843.db2.gz JEZAMWMBZMEGOZ-ZDUSSCGKSA-N 1 1 255.402 3.395 20 30 CGEDMO CC(C)(C#N)CCCC[N@@H+]1CC[C@@H](N2CCCCC2)C1 ZINC000232531526 333338134 /nfs/dbraw/zinc/33/81/34/333338134.db2.gz VFTSHZAWIKQRLN-MRXNPFEDSA-N 1 1 277.456 3.267 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@H](N2CCCCC2)C1 ZINC000232531526 333338135 /nfs/dbraw/zinc/33/81/35/333338135.db2.gz VFTSHZAWIKQRLN-MRXNPFEDSA-N 1 1 277.456 3.267 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCOC2(CCOCC2)CC1 ZINC000545984488 334010515 /nfs/dbraw/zinc/01/05/15/334010515.db2.gz WBBLPKQBNFYEED-OAHLLOKOSA-N 1 1 267.413 3.003 20 30 CGEDMO N#CCSCCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000074991323 334022311 /nfs/dbraw/zinc/02/23/11/334022311.db2.gz UCDOFNDLQXEETQ-UHFFFAOYSA-N 1 1 280.824 3.345 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCCC[C@H](SC)C1 ZINC000134588670 334096009 /nfs/dbraw/zinc/09/60/09/334096009.db2.gz LUSCONZUWQEQNB-CABCVRRESA-N 1 1 298.496 3.017 20 30 CGEDMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCCCC#N ZINC000134643535 334098757 /nfs/dbraw/zinc/09/87/57/334098757.db2.gz GVJAZHLXCAISNH-ZIAGYGMSSA-N 1 1 295.427 3.058 20 30 CGEDMO CC[C@H](O)[C@H]1CCCC[N@@H+]1CC#Cc1ccccc1Cl ZINC000135091385 334115293 /nfs/dbraw/zinc/11/52/93/334115293.db2.gz HMTBVBWSEUYTMW-SJORKVTESA-N 1 1 291.822 3.317 20 30 CGEDMO CC[C@H](O)[C@H]1CCCC[N@H+]1CC#Cc1ccccc1Cl ZINC000135091385 334115294 /nfs/dbraw/zinc/11/52/94/334115294.db2.gz HMTBVBWSEUYTMW-SJORKVTESA-N 1 1 291.822 3.317 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000135127287 334116779 /nfs/dbraw/zinc/11/67/79/334116779.db2.gz JMEXQYNWCWBRNG-HNNXBMFYSA-N 1 1 298.430 3.489 20 30 CGEDMO C=C(C)CC[N@H+](CC)C1CCC(C(=O)OCC)CC1 ZINC000548944876 334180918 /nfs/dbraw/zinc/18/09/18/334180918.db2.gz QGGDUJHKGJQHRP-UHFFFAOYSA-N 1 1 267.413 3.396 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1csc2ccccc12 ZINC000549195312 334187338 /nfs/dbraw/zinc/18/73/38/334187338.db2.gz UFPGOMWWJDIOBH-LBPRGKRZSA-N 1 1 269.373 3.434 20 30 CGEDMO C=C(C)C[N@@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000081535007 334194867 /nfs/dbraw/zinc/19/48/67/334194867.db2.gz DPSGDLUPEPEVNP-KRWDZBQOSA-N 1 1 259.393 3.325 20 30 CGEDMO C=CCOCC[N@@H+]1CC[C@@H](c2ccc(C)cc2C)C1 ZINC000549613223 334199663 /nfs/dbraw/zinc/19/96/63/334199663.db2.gz DUCHYWLOBFGCEM-MRXNPFEDSA-N 1 1 259.393 3.295 20 30 CGEDMO C=CCOCC[N@@H+]1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000549865875 334207356 /nfs/dbraw/zinc/20/73/56/334207356.db2.gz XWRZHNCRNCXAIR-DOTOQJQBSA-N 1 1 259.393 3.142 20 30 CGEDMO COc1ccc(C[C@H](C)C[N@@H+](C)CCCCC#N)cc1 ZINC000090617567 334364917 /nfs/dbraw/zinc/36/49/17/334364917.db2.gz IBWZDQNCBDNKLJ-HNNXBMFYSA-N 1 1 274.408 3.499 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)C[C@H](C)Cc1ccc(OC)cc1 ZINC000090619832 334365286 /nfs/dbraw/zinc/36/52/86/334365286.db2.gz ZNVBRONMWBCPKM-NVXWUHKLSA-N 1 1 291.435 3.133 20 30 CGEDMO C=CCCC[N@@H+](C)[C@H](C(=O)OC)c1ccccc1C ZINC000163008185 334393224 /nfs/dbraw/zinc/39/32/24/334393224.db2.gz MJXOPRAPVCAERF-HNNXBMFYSA-N 1 1 261.365 3.107 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C(=O)OC)c1ccccc1C ZINC000163008185 334393225 /nfs/dbraw/zinc/39/32/25/334393225.db2.gz MJXOPRAPVCAERF-HNNXBMFYSA-N 1 1 261.365 3.107 20 30 CGEDMO Cc1ncncc1[C@H](C)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000568413824 334823983 /nfs/dbraw/zinc/82/39/83/334823983.db2.gz ROIWEEGSWRLBKY-WMLDXEAASA-N 1 1 280.375 3.481 20 30 CGEDMO CN(C)[C@H](C[NH2+]Cc1cc(C#N)cs1)C1CCCCC1 ZINC000177686209 335378760 /nfs/dbraw/zinc/37/87/60/335378760.db2.gz QLWVSMAAEGOXBO-MRXNPFEDSA-N 1 1 291.464 3.220 20 30 CGEDMO C=CCC[C@@H](CC)[NH2+][C@H](CC)C(=O)OC(C)(C)C ZINC000579064702 335705021 /nfs/dbraw/zinc/70/50/21/335705021.db2.gz KICRGBFCQIASHE-CHWSQXEVSA-N 1 1 255.402 3.441 20 30 CGEDMO C=CCC1(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)CCCC1 ZINC000581924765 336168847 /nfs/dbraw/zinc/16/88/47/336168847.db2.gz VVRGTHMTAVGASL-UHFFFAOYSA-N 1 1 292.467 3.456 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1CCSC1 ZINC000425366296 534080785 /nfs/dbraw/zinc/08/07/85/534080785.db2.gz PEJSAWSYVSKIGW-GXTWGEPZSA-N 1 1 260.406 3.304 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccn(C)c1 ZINC000425365495 534081584 /nfs/dbraw/zinc/08/15/84/534081584.db2.gz KZVRTZCCHYDULZ-ZDUSSCGKSA-N 1 1 253.349 3.090 20 30 CGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2cnccc2C#N)C1 ZINC000359485868 534133129 /nfs/dbraw/zinc/13/31/29/534133129.db2.gz HSHLLEGIIHRDQM-RHSMWYFYSA-N 1 1 292.386 3.201 20 30 CGEDMO CC(C)(C)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000515864826 534632488 /nfs/dbraw/zinc/63/24/88/534632488.db2.gz OPSFLSSUKQBCCW-ZDUSSCGKSA-N 1 1 257.381 3.211 20 30 CGEDMO C[N@@H+](CCOc1ccc(C#N)cc1)CC1CCCC1 ZINC000070168280 522906298 /nfs/dbraw/zinc/90/62/98/522906298.db2.gz XCIACRWSQUROIG-UHFFFAOYSA-N 1 1 258.365 3.059 20 30 CGEDMO Cc1ncc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)s1 ZINC000358558556 534745207 /nfs/dbraw/zinc/74/52/07/534745207.db2.gz CPSFNKZKAMZNGK-SECBINFHSA-N 1 1 275.352 3.313 20 30 CGEDMO Cc1cnc([C@H](C)[NH2+]CC#Cc2ccc(F)cc2)s1 ZINC000184980434 526155593 /nfs/dbraw/zinc/15/55/93/526155593.db2.gz ZTJRHWLBRVERCD-LBPRGKRZSA-N 1 1 274.364 3.293 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1F)CC1CCOCC1 ZINC000112697150 526364804 /nfs/dbraw/zinc/36/48/04/526364804.db2.gz AJJDJGRBGQSIHQ-UHFFFAOYSA-N 1 1 263.356 3.240 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccc(CC)cc1 ZINC000481213150 526505949 /nfs/dbraw/zinc/50/59/49/526505949.db2.gz QURDNMJZRDELJP-HUUCEWRRSA-N 1 1 288.435 3.323 20 30 CGEDMO C=C(C)CN1CCC([NH2+][C@@H](CC)c2ccc(F)cn2)CC1 ZINC000352719425 526605124 /nfs/dbraw/zinc/60/51/24/526605124.db2.gz KAWSQKXNWOWDPX-INIZCTEOSA-N 1 1 291.414 3.302 20 30 CGEDMO C=CCOCCC[N@H+](C)Cc1cccc(Cl)c1 ZINC000347972497 526748148 /nfs/dbraw/zinc/74/81/48/526748148.db2.gz QUFUYEYHKUUPRO-UHFFFAOYSA-N 1 1 253.773 3.365 20 30 CGEDMO C=CCOCCC[N@@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000347971807 526753178 /nfs/dbraw/zinc/75/31/78/526753178.db2.gz YRTPQNBENBFLJD-CQSZACIVSA-N 1 1 280.437 3.224 20 30 CGEDMO C=CCOCCC[N@@H+]1CCC[C@H](c2nc(CC)cs2)C1 ZINC000347967645 526754780 /nfs/dbraw/zinc/75/47/80/526754780.db2.gz PXRABBZGRFYWJV-AWEZNQCLSA-N 1 1 294.464 3.478 20 30 CGEDMO C=CCOCCC[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000347443417 526758328 /nfs/dbraw/zinc/75/83/28/526758328.db2.gz FJKDIBMRVONXHT-UHFFFAOYSA-N 1 1 251.757 3.248 20 30 CGEDMO C=CCOCCC[N@H+]1Cc2cccc(Cl)c2C1 ZINC000347443417 526758333 /nfs/dbraw/zinc/75/83/33/526758333.db2.gz FJKDIBMRVONXHT-UHFFFAOYSA-N 1 1 251.757 3.248 20 30 CGEDMO C=CC[C@@H](CC)NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000347703374 527042805 /nfs/dbraw/zinc/04/28/05/527042805.db2.gz MZESELRJSSUSNY-HZPDHXFCSA-N 1 1 295.471 3.152 20 30 CGEDMO C=CCCCCCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC000352265430 527126627 /nfs/dbraw/zinc/12/66/27/527126627.db2.gz KWRJRPNYULOQSW-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000346974890 527193745 /nfs/dbraw/zinc/19/37/45/527193745.db2.gz UHXHOYYRWIMCMW-ZDUSSCGKSA-N 1 1 278.371 3.359 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000344613811 527196333 /nfs/dbraw/zinc/19/63/33/527196333.db2.gz CSTGPXQNZNBESR-UHFFFAOYSA-N 1 1 276.399 3.300 20 30 CGEDMO C=CCCC[N@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 ZINC000344602530 527201044 /nfs/dbraw/zinc/20/10/44/527201044.db2.gz PLPPBNNUABUULP-SFHVURJKSA-N 1 1 298.430 3.002 20 30 CGEDMO C=CCN(C(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)C1CC1 ZINC000347899194 527543491 /nfs/dbraw/zinc/54/34/91/527543491.db2.gz IEYRHGZWOQSUNL-OAHLLOKOSA-N 1 1 292.810 3.120 20 30 CGEDMO CCC[N@H+](CCN1CCCCC1)CCC(C)(C)C#N ZINC000353175173 528083512 /nfs/dbraw/zinc/08/35/12/528083512.db2.gz XSQBWTXJOISKAM-UHFFFAOYSA-N 1 1 265.445 3.124 20 30 CGEDMO CCC[N@@H+](CCN1CCCCC1)CCC(C)(C)C#N ZINC000353175173 528083518 /nfs/dbraw/zinc/08/35/18/528083518.db2.gz XSQBWTXJOISKAM-UHFFFAOYSA-N 1 1 265.445 3.124 20 30 CGEDMO CCOC1CC([N@@H+](C)Cc2ccccc2C(C)(C)C#N)C1 ZINC000347442531 528510350 /nfs/dbraw/zinc/51/03/50/528510350.db2.gz HCENREFQKJBJPX-UHFFFAOYSA-N 1 1 286.419 3.487 20 30 CGEDMO CC[N@@H+](CC[C@H]1CCOC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000437577392 528587132 /nfs/dbraw/zinc/58/71/32/528587132.db2.gz JWOOYGCTUZZXBD-HOCLYGCPSA-N 1 1 272.392 3.368 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@@H]1Cn1nc(C#N)c2ccccc21 ZINC000412994621 529004081 /nfs/dbraw/zinc/00/40/81/529004081.db2.gz BGKNSTHUCXQDGX-CQSZACIVSA-N 1 1 282.391 3.171 20 30 CGEDMO CC[C@@H](C)C[N@@H+](CC)CCOc1cccc(C#N)c1 ZINC000093250936 535509138 /nfs/dbraw/zinc/50/91/38/535509138.db2.gz OURGRMLDVPOIME-CQSZACIVSA-N 1 1 260.381 3.305 20 30 CGEDMO CC[C@H]1CC[C@@H](C)[N@H+]1CCOc1ccc(C#N)cc1 ZINC000124614626 536092871 /nfs/dbraw/zinc/09/28/71/536092871.db2.gz RLQFGJMBQUXPAG-HIFRSBDPSA-N 1 1 258.365 3.200 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1[C@@H](C)CCC1(C)C ZINC000452012606 536645940 /nfs/dbraw/zinc/64/59/40/536645940.db2.gz SALQCOJCNSYRQG-LBPRGKRZSA-N 1 1 258.365 3.330 20 30 CGEDMO CCCCCCC[N@H+](C)Cc1nc([C@H](C)OC)no1 ZINC000747966720 572956820 /nfs/dbraw/zinc/95/68/20/572956820.db2.gz HTMBFVNQDBGUJS-LBPRGKRZSA-N 1 1 269.389 3.179 20 30 CGEDMO CCCCCCC[N@@H+](C)Cc1nc([C@H](C)OC)no1 ZINC000747966720 572956822 /nfs/dbraw/zinc/95/68/22/572956822.db2.gz HTMBFVNQDBGUJS-LBPRGKRZSA-N 1 1 269.389 3.179 20 30 CGEDMO C[C@H]1C[C@H](C)[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000740859859 571886024 /nfs/dbraw/zinc/88/60/24/571886024.db2.gz NQDKONKUUYTIEM-KBPBESRZSA-N 1 1 280.375 3.110 20 30 CGEDMO C=CCC[N@@H+](C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000739912436 572426604 /nfs/dbraw/zinc/42/66/04/572426604.db2.gz KMFVANITWNTPAF-UHFFFAOYSA-N 1 1 294.439 3.426 20 30 CGEDMO CC(C)C[N@H+](CCC#N)CCO[C@H]1CCCC[C@@H]1C ZINC000739914636 572426834 /nfs/dbraw/zinc/42/68/34/572426834.db2.gz MNDYKTCWYANDPH-HOTGVXAUSA-N 1 1 266.429 3.453 20 30 CGEDMO CC(C)C[N@H+](CCC#N)Cc1cc2ccccc2[nH]c1=O ZINC000739915320 572427174 /nfs/dbraw/zinc/42/71/74/572427174.db2.gz YGMYZNOAQKDAKS-UHFFFAOYSA-N 1 1 283.375 3.312 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)Cc1cc2ccccc2[nH]c1=O ZINC000739915320 572427177 /nfs/dbraw/zinc/42/71/77/572427177.db2.gz YGMYZNOAQKDAKS-UHFFFAOYSA-N 1 1 283.375 3.312 20 30 CGEDMO CC[NH+](CC)[C@H](C(=O)OCCCCC#N)c1ccccc1 ZINC000732350396 572461390 /nfs/dbraw/zinc/46/13/90/572461390.db2.gz TVGFONBIFMXWQR-INIZCTEOSA-N 1 1 288.391 3.307 20 30 CGEDMO C=C(C)COC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000741321246 572492207 /nfs/dbraw/zinc/49/22/07/572492207.db2.gz SFXNXNVWJXRSNS-MRXNPFEDSA-N 1 1 273.376 3.018 20 30 CGEDMO CCN(C)c1ccc(C[N@H+](CC)C[C@@H](C)C#N)cc1 ZINC000741753767 572522114 /nfs/dbraw/zinc/52/21/14/572522114.db2.gz AOJIGABGLOGUOO-AWEZNQCLSA-N 1 1 259.397 3.124 20 30 CGEDMO CCN(C)c1ccc(C[N@@H+](CC)C[C@@H](C)C#N)cc1 ZINC000741753767 572522117 /nfs/dbraw/zinc/52/21/17/572522117.db2.gz AOJIGABGLOGUOO-AWEZNQCLSA-N 1 1 259.397 3.124 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@H]1Cc1ccc(Br)cc1 ZINC000741785237 572528413 /nfs/dbraw/zinc/52/84/13/572528413.db2.gz XTEMVFJROWPHTK-OAHLLOKOSA-N 1 1 292.220 3.479 20 30 CGEDMO N#CCOc1ccc(C[NH2+]Cc2csc(C3CC3)n2)cc1 ZINC000733328392 572556631 /nfs/dbraw/zinc/55/66/31/572556631.db2.gz PVGRXBRQXZIXAJ-UHFFFAOYSA-N 1 1 299.399 3.213 20 30 CGEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ccc(C#N)o2)c1 ZINC000742370981 572569579 /nfs/dbraw/zinc/56/95/79/572569579.db2.gz CNAKBWBWRGTWCV-AWEZNQCLSA-N 1 1 295.342 3.122 20 30 CGEDMO C#CCCCNc1cc[nH+]c2ccc(Br)cc12 ZINC000742422735 572580048 /nfs/dbraw/zinc/58/00/48/572580048.db2.gz BMCKVEFIDUPPJN-UHFFFAOYSA-N 1 1 289.176 3.245 20 30 CGEDMO C#CCOc1ccccc1C[NH2+]Cc1cccnc1Cl ZINC000734159429 572636953 /nfs/dbraw/zinc/63/69/53/572636953.db2.gz NPNHPJBMKRMOCS-UHFFFAOYSA-N 1 1 286.762 3.037 20 30 CGEDMO CCCCCC[C@H](C)NN=C1CC[N@@H+](C)[C@H](C)C1 ZINC000743450552 572663188 /nfs/dbraw/zinc/66/31/88/572663188.db2.gz MCEFGKKKGMRWRS-UONOGXRCSA-N 1 1 253.434 3.405 20 30 CGEDMO C#CC[N@H+](Cn1cnc(-c2ccccc2)n1)C1CCCCC1 ZINC000735484296 572727123 /nfs/dbraw/zinc/72/71/23/572727123.db2.gz QASLZAJMQCWQKK-UHFFFAOYSA-N 1 1 294.402 3.171 20 30 CGEDMO C#CC[N@@H+](Cn1cnc(-c2ccccc2)n1)C1CCCCC1 ZINC000735484296 572727129 /nfs/dbraw/zinc/72/71/29/572727129.db2.gz QASLZAJMQCWQKK-UHFFFAOYSA-N 1 1 294.402 3.171 20 30 CGEDMO CC#CCOC(=O)c1ccc(C[N@H+](CC)CCC)cc1 ZINC000745097377 572796387 /nfs/dbraw/zinc/79/63/87/572796387.db2.gz YEJUZKNUUDCBGB-UHFFFAOYSA-N 1 1 273.376 3.099 20 30 CGEDMO C=CCN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C(C)C ZINC000749379502 572995778 /nfs/dbraw/zinc/99/57/78/572995778.db2.gz OUSGDVIIVBYIQV-OAHLLOKOSA-N 1 1 278.440 3.064 20 30 CGEDMO Cc1[nH+]ccn1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000750038007 573077075 /nfs/dbraw/zinc/07/70/75/573077075.db2.gz SFMCYXWPLZRWQR-UHFFFAOYSA-N 1 1 264.250 3.262 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCC)C1 ZINC000963244823 613256108 /nfs/dbraw/zinc/25/61/08/613256108.db2.gz QVHSTVHZZLAPLA-IAGOWNOFSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)C2CC(C)C2)CC1 ZINC000948286275 613256677 /nfs/dbraw/zinc/25/66/77/613256677.db2.gz PHZYXFFWYZAQJH-OFLPRAFFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2(C3CC3)CC2)C[C@H]1C ZINC000947427077 613265386 /nfs/dbraw/zinc/26/53/86/613265386.db2.gz WHCLVDSZMJPGPL-GDBMZVCRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2CC)C(C)(C)C1 ZINC000941043977 613266913 /nfs/dbraw/zinc/26/69/13/613266913.db2.gz GASBMLYLYPQCDX-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2coc(C)c2)C[C@H]1C ZINC000947239240 613268097 /nfs/dbraw/zinc/26/80/97/613268097.db2.gz BAKKENCGAVYMDZ-CZUORRHYSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cocc2C)C[C@@H]1C ZINC000947624022 613268145 /nfs/dbraw/zinc/26/81/45/613268145.db2.gz GCJIEPLVFKLHTJ-LSDHHAIUSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C2CCCCC2)C1 ZINC000964748006 613268816 /nfs/dbraw/zinc/26/88/16/613268816.db2.gz WYJDJPLAHNCRNK-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)CC2CCCC2)C(C)(C)C1 ZINC000972767805 613276709 /nfs/dbraw/zinc/27/67/09/613276709.db2.gz DUSHBQJQVYMYHU-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)c2cccs2)C(C)(C)C1 ZINC000972771355 613277141 /nfs/dbraw/zinc/27/71/41/613277141.db2.gz MWPPWKCKWMEHKF-AWEZNQCLSA-N 1 1 292.448 3.155 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC000980509348 613284619 /nfs/dbraw/zinc/28/46/19/613284619.db2.gz ZAAJBZHLRSMPGF-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2csc(Cl)c2)C1 ZINC000972474853 613287337 /nfs/dbraw/zinc/28/73/37/613287337.db2.gz GQELJHCNZNPAGE-GFCCVEGCSA-N 1 1 298.839 3.124 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2ccc3occc3c2)C1 ZINC000971581820 613291678 /nfs/dbraw/zinc/29/16/78/613291678.db2.gz GLHXUQIGQPOJPC-INIZCTEOSA-N 1 1 298.386 3.155 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)C1CC(C)(C)C1 ZINC000968846452 613306103 /nfs/dbraw/zinc/30/61/03/613306103.db2.gz LGBQXPCJYUNWEF-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC000968744095 613306392 /nfs/dbraw/zinc/30/63/92/613306392.db2.gz DAHFPFASYKFFMY-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)C2(C)CCCCCC2)CC1 ZINC000981350160 613307725 /nfs/dbraw/zinc/30/77/25/613307725.db2.gz HPTMKWSYGZXZGQ-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC=CCC2)CC1 ZINC000948170121 613313525 /nfs/dbraw/zinc/31/35/25/613313525.db2.gz ZLSDRCWFCMJVGB-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000963393963 613315523 /nfs/dbraw/zinc/31/55/23/613315523.db2.gz ZZIPPQAPOSVBRV-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2=CCCCCC2)C1 ZINC000965945821 613325521 /nfs/dbraw/zinc/32/55/21/613325521.db2.gz BYCIGCXQOAGCNW-NVXWUHKLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C2=CCCCCC2)C1 ZINC000965945822 613332047 /nfs/dbraw/zinc/33/20/47/613332047.db2.gz BYCIGCXQOAGCNW-RDJZCZTQSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC000967993315 613332682 /nfs/dbraw/zinc/33/26/82/613332682.db2.gz IWXFVIJIVKIPOW-HOCLYGCPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C(F)=C2CCCC2)[C@@H](C)C1 ZINC000941950844 613334626 /nfs/dbraw/zinc/33/46/26/613334626.db2.gz PXXNJKMESYUZBF-ZFWWWQNUSA-N 1 1 294.414 3.187 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2=CCCCCC2)C[C@@H]1C ZINC000947239645 613334663 /nfs/dbraw/zinc/33/46/63/613334663.db2.gz GLZQVXMRSKWAHF-RDJZCZTQSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C23CCC(CC2)C3)C[C@@H]1C ZINC000947450294 613334719 /nfs/dbraw/zinc/33/47/19/613334719.db2.gz RKBQSLLRPNNARD-VUGNNNGISA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC2=CCCCC2)C[C@@H]1C ZINC000947143215 613334831 /nfs/dbraw/zinc/33/48/31/613334831.db2.gz IEFMDVJSKXEYOH-RDJZCZTQSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(F)s2)C[C@H]1C ZINC000948082358 613336193 /nfs/dbraw/zinc/33/61/93/613336193.db2.gz BPQAEUPDZUWOQK-NEPJUHHUSA-N 1 1 296.411 3.046 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2oc(C)cc2C)C[C@H]1C ZINC000947166557 613337286 /nfs/dbraw/zinc/33/72/86/613337286.db2.gz PLLRHHPIZUBWAH-HIFRSBDPSA-N 1 1 290.407 3.055 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)[C@@H]2CCCC2(C)C)C(C)(C)C1 ZINC000974938858 613341891 /nfs/dbraw/zinc/34/18/91/613341891.db2.gz VMOISVWIMJZJOF-GJZGRUSLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(C)CC(=C)C2)C[C@H]1C ZINC000947702600 613375955 /nfs/dbraw/zinc/37/59/55/613375955.db2.gz QFSQIPMFWNTENH-ZIAGYGMSSA-N 1 1 296.842 3.064 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(C)CC(=C)C2)C[C@H]1C ZINC000947702600 613375956 /nfs/dbraw/zinc/37/59/56/613375956.db2.gz QFSQIPMFWNTENH-ZIAGYGMSSA-N 1 1 296.842 3.064 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C2CC2)[C@H](C)C1 ZINC000942572034 613378065 /nfs/dbraw/zinc/37/80/65/613378065.db2.gz MLMKVRIFEKIZLQ-RISCZKNCSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)(C)C2CC2)[C@H](C)C1 ZINC000942572034 613378066 /nfs/dbraw/zinc/37/80/66/613378066.db2.gz MLMKVRIFEKIZLQ-RISCZKNCSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@@H]([C@@H]3CCC[N@@H+]3CC)C2)C1 ZINC000963361766 613393455 /nfs/dbraw/zinc/39/34/55/613393455.db2.gz UODRHIXAWMZDQR-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C1CCC(C(=O)N(C)[C@H]2CCC[N@H+](C(C)C)CC2)CC1 ZINC000948747208 613403268 /nfs/dbraw/zinc/40/32/68/613403268.db2.gz RFGQBBRLTUAPMS-KRWDZBQOSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[N@@H+](C[C@H](F)CC)CC2)CC1 ZINC000981884431 613404995 /nfs/dbraw/zinc/40/49/95/613404995.db2.gz FHMOYEXGCZCMPF-MRXNPFEDSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[N@H+](C[C@H](F)CC)CC2)CC1 ZINC000981884431 613404998 /nfs/dbraw/zinc/40/49/98/613404998.db2.gz FHMOYEXGCZCMPF-MRXNPFEDSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccc(C)o1 ZINC000968735629 613491060 /nfs/dbraw/zinc/49/10/60/613491060.db2.gz MGQSWTLVYURYQF-HNNXBMFYSA-N 1 1 290.407 3.139 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)=C2CCCC2)C1 ZINC000965891020 613514849 /nfs/dbraw/zinc/51/48/49/613514849.db2.gz PIXITAARUVSWMA-PBHICJAKSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc(C)c2)C1 ZINC000964871892 613515777 /nfs/dbraw/zinc/51/57/77/613515777.db2.gz HMUBMCNHNGOFCS-WBVHZDCISA-N 1 1 286.419 3.011 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC000967997008 613517528 /nfs/dbraw/zinc/51/75/28/613517528.db2.gz UACQIUKNSGPZIO-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(C=C)cc2)C1 ZINC000968345363 613517922 /nfs/dbraw/zinc/51/79/22/613517922.db2.gz KJHJYEUBUQHRQV-CRAIPNDOSA-N 1 1 298.430 3.346 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C(C)=C2CCCC2)C[C@@H]1C ZINC000947195748 613518712 /nfs/dbraw/zinc/51/87/12/613518712.db2.gz MYCDONMUQVFUNU-WMLDXEAASA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C2=CCCCCC2)C[C@@H]1C ZINC000947245098 613519247 /nfs/dbraw/zinc/51/92/47/613519247.db2.gz QMACWXXMCJSRGK-DOTOQJQBSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)cs2)C[C@H]1C ZINC000947272865 613523190 /nfs/dbraw/zinc/52/31/90/613523190.db2.gz ZAPMRNWZKLLJAT-ZIAGYGMSSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cscc2C)C[C@@H]1C ZINC000947169995 613527034 /nfs/dbraw/zinc/52/70/34/613527034.db2.gz BLVIDAGCJMOZIX-UONOGXRCSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2occc2CC)C[C@H]1C ZINC000947690462 613527796 /nfs/dbraw/zinc/52/77/96/613527796.db2.gz WXRDIWDIYXUFBB-UKRRQHHQSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc(C)cs2)C1 ZINC000965999880 613529630 /nfs/dbraw/zinc/52/96/30/613529630.db2.gz HYTWPEUCIRVEBU-KBPBESRZSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccccc3)C[C@@H]2C1 ZINC000979493207 613559343 /nfs/dbraw/zinc/55/93/43/613559343.db2.gz ZBGHHSWTIBBIET-KSZLIROESA-N 1 1 298.430 3.093 20 30 CGEDMO C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC12CCCC2 ZINC000969103412 613685376 /nfs/dbraw/zinc/68/53/76/613685376.db2.gz RUOWIXFGZBGLPM-HOTGVXAUSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC000969037059 613686075 /nfs/dbraw/zinc/68/60/75/613686075.db2.gz ADSAAUUVKRTDBX-IXDOHACOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1cc(C)cs1 ZINC000968850241 613686708 /nfs/dbraw/zinc/68/67/08/613686708.db2.gz SYMUJNQCRBACPV-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)C2CCC2)CC1 ZINC000948648521 613700310 /nfs/dbraw/zinc/70/03/10/613700310.db2.gz SPMBHPWFDVINCD-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CCCC23CC3)CC1 ZINC000948542386 613701586 /nfs/dbraw/zinc/70/15/86/613701586.db2.gz RAPQBNSGPAJACO-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2cccc(C)c2)CC1 ZINC000948162315 613702442 /nfs/dbraw/zinc/70/24/42/613702442.db2.gz PHSFUUDVGNILQM-QGZVFWFLSA-N 1 1 286.419 3.108 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)C2=CCCCCC2)CC1 ZINC000948326829 613703970 /nfs/dbraw/zinc/70/39/70/613703970.db2.gz GVYLPHSWKVLFCT-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)c2oc(C)cc2C)CC1 ZINC000948274538 613705619 /nfs/dbraw/zinc/70/56/19/613705619.db2.gz VQZKZOASXGJRGV-HNNXBMFYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(Cl)s2)C1 ZINC000968614833 613734395 /nfs/dbraw/zinc/73/43/95/613734395.db2.gz OIGVCZMZZGNNBU-GHMZBOCLSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(Cl)s2)C1 ZINC000968614833 613734398 /nfs/dbraw/zinc/73/43/98/613734398.db2.gz OIGVCZMZZGNNBU-GHMZBOCLSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C=C2CCCCC2)C[C@@H]1C ZINC000947080601 613741557 /nfs/dbraw/zinc/74/15/57/613741557.db2.gz MNBDZCGTNXVUJG-GOEBONIOSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C)C(C)(C)C1 ZINC000940547127 613754035 /nfs/dbraw/zinc/75/40/35/613754035.db2.gz FSKDXTWNPIXJQE-MRXNPFEDSA-N 1 1 286.419 3.011 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)c2ccsc2Cl)[C@@H](C)C1 ZINC000943332981 613756320 /nfs/dbraw/zinc/75/63/20/613756320.db2.gz GTHLWVVVLVMFOA-CMPLNLGQSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)C2CCC(C)(C)CC2)[C@H](C)C1 ZINC000945338246 613780219 /nfs/dbraw/zinc/78/02/19/613780219.db2.gz ZEZPJEWOBFWJKK-ZBFHGGJFSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)CC2CCCCC2)C(C)(C)C1 ZINC000940554316 613781073 /nfs/dbraw/zinc/78/10/73/613781073.db2.gz QGWJLNOLEBYIOY-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C(C)(C)C1 ZINC000941046708 613784148 /nfs/dbraw/zinc/78/41/48/613784148.db2.gz JUPSVHSKTXDWNH-OAGGEKHMSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)c2cc3ccccc3o2)[C@@H](C)C1 ZINC000944633229 613789302 /nfs/dbraw/zinc/78/93/02/613789302.db2.gz DZJCAQRZOWZQGH-ZFWWWQNUSA-N 1 1 298.386 3.059 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cscc2Cl)C[C@@H]1C ZINC000947427311 613799212 /nfs/dbraw/zinc/79/92/12/613799212.db2.gz ZZGUIOAPLNNQFM-QWRGUYRKSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(Cl)cs2)C(C)(C)C1 ZINC000975114840 613810144 /nfs/dbraw/zinc/81/01/44/613810144.db2.gz XBCXQLGXEACIKU-GFCCVEGCSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cc(Cl)cs2)C(C)(C)C1 ZINC000975114840 613810147 /nfs/dbraw/zinc/81/01/47/613810147.db2.gz XBCXQLGXEACIKU-GFCCVEGCSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000899513986 620705767 /nfs/dbraw/zinc/70/57/67/620705767.db2.gz HZQXLINMTDPYAG-UHFFFAOYSA-N 1 1 289.423 3.335 20 30 CGEDMO C=C(C)CNN=C1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000811650648 617657489 /nfs/dbraw/zinc/65/74/89/617657489.db2.gz JSUQDFAXQQOGFM-OAHLLOKOSA-N 1 1 271.408 3.050 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC(C)(C)C)C1 ZINC001021524043 618020806 /nfs/dbraw/zinc/02/08/06/618020806.db2.gz VJOHPMUKGYWNFS-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO CC(C)C[C@@H]1CN(C)CC[N@H+]1CCCCC(C)(C)C#N ZINC000933252653 618175190 /nfs/dbraw/zinc/17/51/90/618175190.db2.gz ZCUGXIQWVUCXDH-MRXNPFEDSA-N 1 1 279.472 3.369 20 30 CGEDMO C=C1CCN(C(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000891892484 618367414 /nfs/dbraw/zinc/36/74/14/618367414.db2.gz FKXCCIBCULKHFU-UHFFFAOYSA-N 1 1 293.455 3.003 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@H](c3ccco3)C2)cs1 ZINC000892019445 618491242 /nfs/dbraw/zinc/49/12/42/618491242.db2.gz SZVODQWDLUQLDW-LBPRGKRZSA-N 1 1 258.346 3.202 20 30 CGEDMO C[C@H](NN=C1CCC[N@H+]2CCCC[C@H]12)C(C)(C)C ZINC000848409614 618494888 /nfs/dbraw/zinc/49/48/88/618494888.db2.gz CBRXMKQENKIUPP-GXTWGEPZSA-N 1 1 251.418 3.015 20 30 CGEDMO Cc1cc(C[N@@H+]2CCCSC[C@@H]2C)ccc1C#N ZINC000934299559 618580996 /nfs/dbraw/zinc/58/09/96/618580996.db2.gz WNLWDPVNNDXTHW-ZDUSSCGKSA-N 1 1 260.406 3.194 20 30 CGEDMO C[C@@H](C#N)C[N@H+](Cc1ccc2c(c1)C[C@@H](C)O2)C1CC1 ZINC000892194087 618587053 /nfs/dbraw/zinc/58/70/53/618587053.db2.gz JNKBUGHCIWNOJO-QWHCGFSZSA-N 1 1 270.376 3.134 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](Cc1ccc2c(c1)C[C@@H](C)O2)C1CC1 ZINC000892194087 618587061 /nfs/dbraw/zinc/58/70/61/618587061.db2.gz JNKBUGHCIWNOJO-QWHCGFSZSA-N 1 1 270.376 3.134 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1CC(=O)Nc1cccc(Cl)c1C ZINC000934469921 618626585 /nfs/dbraw/zinc/62/65/85/618626585.db2.gz JWUUTWFLOIKGRC-LBPRGKRZSA-N 1 1 278.783 3.237 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1CC(=O)Nc1cccc(Cl)c1C ZINC000934469921 618626588 /nfs/dbraw/zinc/62/65/88/618626588.db2.gz JWUUTWFLOIKGRC-LBPRGKRZSA-N 1 1 278.783 3.237 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1ncc(-c2ccccc2)o1 ZINC000934471787 618627574 /nfs/dbraw/zinc/62/75/74/618627574.db2.gz KJJHFZRRHRJEMU-CQSZACIVSA-N 1 1 254.333 3.492 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1ncc(-c2ccccc2)o1 ZINC000934471787 618627581 /nfs/dbraw/zinc/62/75/81/618627581.db2.gz KJJHFZRRHRJEMU-CQSZACIVSA-N 1 1 254.333 3.492 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1[C@H](C)c1nc(-c2ccccc2)no1 ZINC000934473676 618628205 /nfs/dbraw/zinc/62/82/05/618628205.db2.gz ZXDSQMNYJVLRSS-TZMCWYRMSA-N 1 1 269.348 3.448 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@H](C)c1nc(-c2ccccc2)no1 ZINC000934473676 618628207 /nfs/dbraw/zinc/62/82/07/618628207.db2.gz ZXDSQMNYJVLRSS-TZMCWYRMSA-N 1 1 269.348 3.448 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000934830626 618699784 /nfs/dbraw/zinc/69/97/84/618699784.db2.gz GFCFSZNNPAAFJX-OPQOLIRYSA-N 1 1 290.451 3.455 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000934835840 618701384 /nfs/dbraw/zinc/70/13/84/618701384.db2.gz XEIWVYRTKDFBJS-LSDHHAIUSA-N 1 1 264.413 3.065 20 30 CGEDMO COc1cc([C@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)on1 ZINC000926598482 618758009 /nfs/dbraw/zinc/75/80/09/618758009.db2.gz AVOIZOYZGWTAEA-NHYWBVRUSA-N 1 1 297.358 3.283 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC)o2)C1 ZINC001007665200 618918722 /nfs/dbraw/zinc/91/87/22/618918722.db2.gz JYDHUYJYEUUPND-CQSZACIVSA-N 1 1 290.407 3.002 20 30 CGEDMO CCC[N@@H+](C)C[C@H]1CCN(c2cc(C)cc(F)c2C#N)C1 ZINC000892721820 618924182 /nfs/dbraw/zinc/92/41/82/618924182.db2.gz QCVSDVXMZFEROB-CQSZACIVSA-N 1 1 289.398 3.174 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc2cc(OC)ccc2c1 ZINC000775183133 619003933 /nfs/dbraw/zinc/00/39/33/619003933.db2.gz JAWGVQRPPXWJDS-CYBMUJFWSA-N 1 1 253.345 3.302 20 30 CGEDMO CCn1cc(C[NH2+][C@@H](CCC#N)c2ccccc2)c(C)n1 ZINC000893195144 619025233 /nfs/dbraw/zinc/02/52/33/619025233.db2.gz UHBBKKVFQHQGSU-KRWDZBQOSA-N 1 1 282.391 3.346 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](C[C@H]2CCCC3(CCC3)O2)C1 ZINC000930923461 619092928 /nfs/dbraw/zinc/09/29/28/619092928.db2.gz HZLPVYUPOFMCCI-LSDHHAIUSA-N 1 1 262.397 3.104 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+](C[C@H](C)CC)C2)CC1 ZINC001008413886 619093524 /nfs/dbraw/zinc/09/35/24/619093524.db2.gz WPLLZCBWASZQIG-RHSMWYFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1 ZINC001008762147 619158941 /nfs/dbraw/zinc/15/89/41/619158941.db2.gz SLPCIFVSYHTHIX-MPGHIAIKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)c2sccc2C(C)C)C1 ZINC001009607662 619182402 /nfs/dbraw/zinc/18/24/02/619182402.db2.gz CHGAIOOCUJDHJN-CYBMUJFWSA-N 1 1 292.448 3.252 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2C(C)C)C1 ZINC001009607662 619182403 /nfs/dbraw/zinc/18/24/03/619182403.db2.gz CHGAIOOCUJDHJN-CYBMUJFWSA-N 1 1 292.448 3.252 20 30 CGEDMO Cc1cc(F)c(C#N)c(N2CCC[C@H](c3[nH+]ccn3C)C2)c1 ZINC000893530754 619206245 /nfs/dbraw/zinc/20/62/45/619206245.db2.gz AOUOAPQZICDVAO-ZDUSSCGKSA-N 1 1 298.365 3.123 20 30 CGEDMO CSC[C@H]1CCC[N@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000093760972 619214554 /nfs/dbraw/zinc/21/45/54/619214554.db2.gz QKLCQDAVZPFAEK-DZGCQCFKSA-N 1 1 290.432 3.305 20 30 CGEDMO CCCOC(=O)[C@@H](C)[N@H+](CCC)Cc1ccc(C#N)cc1 ZINC000159260415 619229635 /nfs/dbraw/zinc/22/96/35/619229635.db2.gz SZJZILAFUVHQIM-CQSZACIVSA-N 1 1 288.391 3.112 20 30 CGEDMO CCCOC(=O)[C@@H](C)[N@@H+](CCC)Cc1ccc(C#N)cc1 ZINC000159260415 619229636 /nfs/dbraw/zinc/22/96/36/619229636.db2.gz SZJZILAFUVHQIM-CQSZACIVSA-N 1 1 288.391 3.112 20 30 CGEDMO Cc1ccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1C#N ZINC000925842458 619291212 /nfs/dbraw/zinc/29/12/12/619291212.db2.gz XCWYYXVHQSKQTC-GUDVDZBRSA-N 1 1 297.446 3.267 20 30 CGEDMO C[C@@H](CNc1nc(Cl)c(C#N)s1)[N@H+]1CCCC[C@H]1C ZINC000804349130 619381472 /nfs/dbraw/zinc/38/14/72/619381472.db2.gz JAKMGOWLIXDUHA-ZJUUUORDSA-N 1 1 298.843 3.343 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)NC1CCCCCCC1 ZINC000048617484 619512794 /nfs/dbraw/zinc/51/27/94/619512794.db2.gz KDICINBZUQWVLF-UHFFFAOYSA-N 1 1 266.429 3.114 20 30 CGEDMO Cc1ccc(CO[NH+]=C(N)CCc2ccccc2)c(C)n1 ZINC000185358449 625351883 /nfs/dbraw/zinc/35/18/83/625351883.db2.gz MIVJGERGDKMKGH-UHFFFAOYSA-N 1 1 283.375 3.120 20 30 CGEDMO CC[N@@H+](Cc1csc(C#N)c1)[C@H]1CCOC(C)(C)C1 ZINC000894535170 619567742 /nfs/dbraw/zinc/56/77/42/619567742.db2.gz JEFGCGIWYKUOPS-ZDUSSCGKSA-N 1 1 278.421 3.399 20 30 CGEDMO N#Cc1cc(C[N@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)cs1 ZINC000894736068 619617259 /nfs/dbraw/zinc/61/72/59/619617259.db2.gz NRJXOCQVSXOKFS-LSDHHAIUSA-N 1 1 258.390 3.240 20 30 CGEDMO CN(CCC#N)c1ccc(C[NH+]2CC(C(F)(F)F)C2)cc1 ZINC000894896013 619673720 /nfs/dbraw/zinc/67/37/20/619673720.db2.gz KYZDKGSLVVRPPP-UHFFFAOYSA-N 1 1 297.324 3.031 20 30 CGEDMO C=C(C)C[N@@H+](CC)C[C@H](O)c1ccccc1Cl ZINC000046055690 619713032 /nfs/dbraw/zinc/71/30/32/619713032.db2.gz LHQDRGYHSVVFHA-AWEZNQCLSA-N 1 1 253.773 3.271 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cc(=O)oc2cc(C)ccc12 ZINC000181326484 619715626 /nfs/dbraw/zinc/71/56/26/619715626.db2.gz ANCGZIKZQLGIKV-UHFFFAOYSA-N 1 1 257.333 3.109 20 30 CGEDMO NC(CCc1ccccc1)=[NH+]OCc1ccccc1 ZINC000049322553 619733369 /nfs/dbraw/zinc/73/33/69/619733369.db2.gz WXLWWQIAKZNXKK-UHFFFAOYSA-N 1 1 254.333 3.108 20 30 CGEDMO COc1ccc(C2CC2)cc1C[NH2+]Cc1cccc(C#N)n1 ZINC000895535856 619844229 /nfs/dbraw/zinc/84/42/29/619844229.db2.gz CESJCYDURQHZOG-UHFFFAOYSA-N 1 1 293.370 3.129 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(CC(C)C)nc2)C1 ZINC000895562939 619850560 /nfs/dbraw/zinc/85/05/60/619850560.db2.gz OHKXIMNWCNTJKA-HNNXBMFYSA-N 1 1 256.393 3.125 20 30 CGEDMO C=CCC1(O)CC[NH+](Cc2c(F)cc(C)cc2F)CC1 ZINC000895835069 619894839 /nfs/dbraw/zinc/89/48/39/619894839.db2.gz XYDIPFSENYLUHN-UHFFFAOYSA-N 1 1 281.346 3.176 20 30 CGEDMO CC(C)([NH2+]Cc1cccc(C#N)n1)c1ccc(F)cc1F ZINC000895855913 619898014 /nfs/dbraw/zinc/89/80/14/619898014.db2.gz VAKDFACQFPHMCL-UHFFFAOYSA-N 1 1 287.313 3.256 20 30 CGEDMO N#Cc1ccc(N[C@H]2CCC[N@@H+](Cc3ccsc3)C2)nc1 ZINC000896660819 620041972 /nfs/dbraw/zinc/04/19/72/620041972.db2.gz VBCJECWQVZRCOC-HNNXBMFYSA-N 1 1 298.415 3.091 20 30 CGEDMO CCc1c(C)[nH+]c2ccccc2c1N1CCO[C@](C)(C#N)C1 ZINC000896858102 620078137 /nfs/dbraw/zinc/07/81/37/620078137.db2.gz VBABPVVYNIODGK-GOSISDBHSA-N 1 1 295.386 3.225 20 30 CGEDMO C=C1CC(C)(c2noc(C[N@H+]3[C@H](C)CC[C@@H]3C)n2)C1 ZINC000896916203 620098820 /nfs/dbraw/zinc/09/88/20/620098820.db2.gz URCWNEWGBQIUCT-TXEJJXNPSA-N 1 1 261.369 3.050 20 30 CGEDMO C=C1CC(C)(c2noc(C[N@@H+]3[C@H](C)CC[C@@H]3C)n2)C1 ZINC000896916203 620098822 /nfs/dbraw/zinc/09/88/22/620098822.db2.gz URCWNEWGBQIUCT-TXEJJXNPSA-N 1 1 261.369 3.050 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)c2cccc(C)c2)CC1 ZINC000985238109 620142361 /nfs/dbraw/zinc/14/23/61/620142361.db2.gz QJOKRTVZIHHYNO-UHFFFAOYSA-N 1 1 286.419 3.108 20 30 CGEDMO C#CC[N@@H+](Cc1cc2c(ccnc2Cl)o1)C(C)C ZINC000897170629 620155027 /nfs/dbraw/zinc/15/50/27/620155027.db2.gz DGNOUNFBIHBMMZ-UHFFFAOYSA-N 1 1 262.740 3.325 20 30 CGEDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC[C@@H](C#N)C1 ZINC000788020180 620164333 /nfs/dbraw/zinc/16/43/33/620164333.db2.gz OIGSLKDMBHFWLO-PWSUYJOCSA-N 1 1 293.754 3.372 20 30 CGEDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC[C@@H](C#N)C1 ZINC000788020180 620164338 /nfs/dbraw/zinc/16/43/38/620164338.db2.gz OIGSLKDMBHFWLO-PWSUYJOCSA-N 1 1 293.754 3.372 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000897240830 620169246 /nfs/dbraw/zinc/16/92/46/620169246.db2.gz RLFPVKAJUIZAJV-ZWKOTPCHSA-N 1 1 298.430 3.294 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2CCC[C@@H]2CC)CC1 ZINC000985636294 620224003 /nfs/dbraw/zinc/22/40/03/620224003.db2.gz IQIBJYLQKMBQMR-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)C2(CC)CCCC2)CC1 ZINC000985723345 620231899 /nfs/dbraw/zinc/23/18/99/620231899.db2.gz ABNIRTQKHFBQAT-UHFFFAOYSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)C2(F)CCCCC2)CC1 ZINC000989412631 620410155 /nfs/dbraw/zinc/41/01/55/620410155.db2.gz RORHALDGFMOPQS-UHFFFAOYSA-N 1 1 296.430 3.159 20 30 CGEDMO Cc1cc(C[N@H+](C)Cc2cc(C#N)cs2)cnc1F ZINC000897624583 620413140 /nfs/dbraw/zinc/41/31/40/620413140.db2.gz QAXDGJAHXZDFDN-UHFFFAOYSA-N 1 1 275.352 3.094 20 30 CGEDMO Cc1cc(C[N@@H+](C)Cc2cc(C#N)cs2)cnc1F ZINC000897624583 620413142 /nfs/dbraw/zinc/41/31/42/620413142.db2.gz QAXDGJAHXZDFDN-UHFFFAOYSA-N 1 1 275.352 3.094 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)c2cc(C)ccc2C)CC1 ZINC000989554266 620517320 /nfs/dbraw/zinc/51/73/20/620517320.db2.gz WNMCTFVTQCBGAE-UHFFFAOYSA-N 1 1 286.419 3.027 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)CC3CCCC3)CCC[C@@H]12 ZINC000989921182 620531654 /nfs/dbraw/zinc/53/16/54/620531654.db2.gz GDXQMYYUGXMTHH-SJLPKXTDSA-N 1 1 290.451 3.256 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)c3cccc(C)c3)CCC[C@@H]12 ZINC000989929639 620532042 /nfs/dbraw/zinc/53/20/42/620532042.db2.gz XSURSTBLJMSRMP-IEBWSBKVSA-N 1 1 298.430 3.298 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)C=C3CCCCC3)CCC[C@H]12 ZINC000989997595 620534695 /nfs/dbraw/zinc/53/46/95/620534695.db2.gz BGRSWMWMYYENHV-FUHWJXTLSA-N 1 1 288.435 3.176 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)CC3CCC3)CCC[C@@H]12 ZINC000990083869 620535434 /nfs/dbraw/zinc/53/54/34/620535434.db2.gz QXLVZGKSKWEEJO-GDBMZVCRSA-N 1 1 296.842 3.042 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)CC3CCC3)CCC[C@@H]12 ZINC000990083869 620535435 /nfs/dbraw/zinc/53/54/35/620535435.db2.gz QXLVZGKSKWEEJO-GDBMZVCRSA-N 1 1 296.842 3.042 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)O[C@H](C)c1ccc(C#N)cc1 ZINC000923887511 620549829 /nfs/dbraw/zinc/54/98/29/620549829.db2.gz GBPOXKJFCMYTFD-CJNGLKHVSA-N 1 1 286.375 3.035 20 30 CGEDMO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1csc(N)n1 ZINC000902498623 621345434 /nfs/dbraw/zinc/34/54/34/621345434.db2.gz GJOABNKCOKCTQW-OAHLLOKOSA-N 1 1 298.415 3.154 20 30 CGEDMO Cc1ccncc1[C@H](C)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902849168 621471384 /nfs/dbraw/zinc/47/13/84/621471384.db2.gz HKCVIYICFKXEFD-STQMWFEESA-N 1 1 266.348 3.069 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CCC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000903032150 621534917 /nfs/dbraw/zinc/53/49/17/621534917.db2.gz QQKAPLKXZUCXSS-LBPRGKRZSA-N 1 1 297.402 3.261 20 30 CGEDMO N#CC1(C[NH2+][C@H]2CCc3ccc(F)cc32)CCCC1 ZINC000903107662 621581287 /nfs/dbraw/zinc/58/12/87/621581287.db2.gz AWCNKSTYKLTQNN-HNNXBMFYSA-N 1 1 258.340 3.487 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CCCC1)c1ccc(Cl)nc1 ZINC000903109994 621583698 /nfs/dbraw/zinc/58/36/98/621583698.db2.gz YAMZXEISBUUGRY-NSHDSACASA-N 1 1 263.772 3.470 20 30 CGEDMO C=CCC[C@H]([NH2+]Cc1cnn(C)n1)c1cccc(Cl)c1 ZINC000903171050 621619912 /nfs/dbraw/zinc/61/99/12/621619912.db2.gz MHRXMWLIWROVSV-HNNXBMFYSA-N 1 1 290.798 3.266 20 30 CGEDMO COc1cccc2c1CCC[C@H]2[NH2+]Cc1nc(C#N)cs1 ZINC000903262684 621648007 /nfs/dbraw/zinc/64/80/07/621648007.db2.gz GRKZIGFBLIFPHD-CQSZACIVSA-N 1 1 299.399 3.191 20 30 CGEDMO C=CCC[C@H](C)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000903381280 621722621 /nfs/dbraw/zinc/72/26/21/621722621.db2.gz UTZIWUKAQMTVMK-GOEBONIOSA-N 1 1 261.413 3.019 20 30 CGEDMO CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(C#N)cc1Cl ZINC000903990679 621848256 /nfs/dbraw/zinc/84/82/56/621848256.db2.gz WSDPOAAKWBVFFJ-CQSZACIVSA-N 1 1 291.782 3.023 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(C#N)cc1Cl ZINC000903990679 621848259 /nfs/dbraw/zinc/84/82/59/621848259.db2.gz WSDPOAAKWBVFFJ-CQSZACIVSA-N 1 1 291.782 3.023 20 30 CGEDMO C#CCOc1ccc(C[N@@H+](C)Cc2ccc(F)cc2)cc1 ZINC000768173776 625530145 /nfs/dbraw/zinc/53/01/45/625530145.db2.gz FBHXJXWLTXBPQV-UHFFFAOYSA-N 1 1 283.346 3.470 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccccc2COC)no1 ZINC000904566590 621938745 /nfs/dbraw/zinc/93/87/45/621938745.db2.gz VDYBUBIVKDJVRR-CQSZACIVSA-N 1 1 287.363 3.239 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(COc2ccccc2C)no1 ZINC000904623693 621942240 /nfs/dbraw/zinc/94/22/40/621942240.db2.gz RKSSNRMYSMJLEH-ZDUSSCGKSA-N 1 1 287.363 3.313 20 30 CGEDMO CC(C)C[N@H+](CCC#N)Cc1ccc(N(C)C)c(F)c1 ZINC000768153989 625529232 /nfs/dbraw/zinc/52/92/32/625529232.db2.gz RPCJIVGSEKZBOP-UHFFFAOYSA-N 1 1 277.387 3.263 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc(N(C)C)c(F)c1 ZINC000768153989 625529238 /nfs/dbraw/zinc/52/92/38/625529238.db2.gz RPCJIVGSEKZBOP-UHFFFAOYSA-N 1 1 277.387 3.263 20 30 CGEDMO COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@H](C#N)C3)c2c1 ZINC000905718880 622098360 /nfs/dbraw/zinc/09/83/60/622098360.db2.gz GSXVRMAHMBFKJX-CYBMUJFWSA-N 1 1 296.370 3.290 20 30 CGEDMO COc1ccc2ccc(O)c(C[N@H+]3CCC[C@H](C#N)C3)c2c1 ZINC000905718880 622098364 /nfs/dbraw/zinc/09/83/64/622098364.db2.gz GSXVRMAHMBFKJX-CYBMUJFWSA-N 1 1 296.370 3.290 20 30 CGEDMO C=CC[C@H](Nc1ccc([NH+]2CCCCC2)cc1)C(=O)OC ZINC000905747983 622099401 /nfs/dbraw/zinc/09/94/01/622099401.db2.gz SGNOOKONTJVOSW-INIZCTEOSA-N 1 1 288.391 3.207 20 30 CGEDMO CC(C)[C@@H]1[N@@H+](C[C@@H](O)CC2(C#N)CCC2)CC12CC=CC2 ZINC000905961636 622133710 /nfs/dbraw/zinc/13/37/10/622133710.db2.gz SPDKAVVVPOJKKC-HOTGVXAUSA-N 1 1 288.435 3.108 20 30 CGEDMO C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)C2CC(C)C2)CC1 ZINC000997009641 625606844 /nfs/dbraw/zinc/60/68/44/625606844.db2.gz DUMMXDKDNNPAMI-GLWUULTISA-N 1 1 298.858 3.002 20 30 CGEDMO C[C@@H]1C[C@H](Nc2ccc(C#N)cc2Cl)CC[N@H+]1C ZINC000157964210 622988338 /nfs/dbraw/zinc/98/83/38/622988338.db2.gz GVTDQRZZCPEPNN-ZYHUDNBSSA-N 1 1 263.772 3.106 20 30 CGEDMO NC(=[NH+]OCc1ccc(OC(F)F)cc1)C1CCCC1 ZINC000060453698 623042404 /nfs/dbraw/zinc/04/24/04/623042404.db2.gz DMIZSWQTLGOGBY-UHFFFAOYSA-N 1 1 284.306 3.267 20 30 CGEDMO C#C[C@H](CC)[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000229897997 623176084 /nfs/dbraw/zinc/17/60/84/623176084.db2.gz JDQNQEIGPGCUPZ-CYBMUJFWSA-N 1 1 274.364 3.451 20 30 CGEDMO C#CC[N@H+](CCCCCOC)[C@@H]1CCc2ccccc21 ZINC000172012128 623207397 /nfs/dbraw/zinc/20/73/97/623207397.db2.gz LSPLPMZCVZDGDB-GOSISDBHSA-N 1 1 271.404 3.426 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000172829516 623285023 /nfs/dbraw/zinc/28/50/23/623285023.db2.gz YBZZYZOQUAVOOV-CQSZACIVSA-N 1 1 282.428 3.141 20 30 CGEDMO C=C(Cl)C[N@H+](CC)C[C@H](O)c1ccc(C)cc1 ZINC000174284031 623378700 /nfs/dbraw/zinc/37/87/00/623378700.db2.gz BXSDPCYGJNJYSY-AWEZNQCLSA-N 1 1 253.773 3.103 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)C[C@H](O)c1ccc(C)cc1 ZINC000174284031 623378705 /nfs/dbraw/zinc/37/87/05/623378705.db2.gz BXSDPCYGJNJYSY-AWEZNQCLSA-N 1 1 253.773 3.103 20 30 CGEDMO C[C@@H]1C(=NOCC(F)F)CCC[N@@H+]1Cc1ccccc1 ZINC000814904058 623428164 /nfs/dbraw/zinc/42/81/64/623428164.db2.gz PGFBRKNSALDYOE-GFCCVEGCSA-N 1 1 282.334 3.309 20 30 CGEDMO C=C1CCC(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CCC)CC3)CC1 ZINC000992156094 623453580 /nfs/dbraw/zinc/45/35/80/623453580.db2.gz VENHXYJYCOIZQQ-FUHWJXTLSA-N 1 1 290.451 3.256 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3CCC)CCC[C@H]12 ZINC000992196878 623471542 /nfs/dbraw/zinc/47/15/42/623471542.db2.gz ZYQPZPDILCYJJM-CBZIJGRNSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3CCC)CCC[C@@H]12 ZINC000992196881 623471634 /nfs/dbraw/zinc/47/16/34/623471634.db2.gz ZYQPZPDILCYJJM-KONPQCLYSA-N 1 1 290.451 3.112 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCSC[C@@H]1C ZINC000929686570 623508781 /nfs/dbraw/zinc/50/87/81/623508781.db2.gz BCRIJKFPRIKCCS-ZDUSSCGKSA-N 1 1 260.406 3.112 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(C)cc3C)CCC[C@H]12 ZINC000992486513 623596918 /nfs/dbraw/zinc/59/69/18/623596918.db2.gz HEMBXLQWQCEKJL-HKUYNNGSSA-N 1 1 298.430 3.216 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2C)CC1 ZINC000998097263 625788882 /nfs/dbraw/zinc/78/88/82/625788882.db2.gz ZPYLROUXNNFZLH-VHDGCEQUSA-N 1 1 298.858 3.098 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C)[C@@H]1C ZINC000992989742 623772669 /nfs/dbraw/zinc/77/26/69/623772669.db2.gz SEHNIZUWJOXODP-DOTOQJQBSA-N 1 1 286.419 3.154 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C2CCCCCC2)[C@@H]1C ZINC000993129220 623858038 /nfs/dbraw/zinc/85/80/38/623858038.db2.gz XEGRVHMXYKWVPJ-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2sccc2F)[C@@H]1C ZINC000993263891 623995573 /nfs/dbraw/zinc/99/55/73/623995573.db2.gz KYIYDGMLHWUZHK-AAEUAGOBSA-N 1 1 296.411 3.046 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2sccc2F)[C@H]1C ZINC000993263895 623996384 /nfs/dbraw/zinc/99/63/84/623996384.db2.gz KYIYDGMLHWUZHK-DGCLKSJQSA-N 1 1 296.411 3.046 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2c(C)coc2C)[C@@H]1C ZINC000993307190 624005393 /nfs/dbraw/zinc/00/53/93/624005393.db2.gz CMVOHIAKOVZSBE-ZFWWWQNUSA-N 1 1 290.407 3.055 20 30 CGEDMO CCCCCCCC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000915634192 624014877 /nfs/dbraw/zinc/01/48/77/624014877.db2.gz UMSGLJNNTMSWRI-LSDHHAIUSA-N 1 1 266.429 3.090 20 30 CGEDMO CCCCCCCC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000915634190 624014927 /nfs/dbraw/zinc/01/49/27/624014927.db2.gz UMSGLJNNTMSWRI-GJZGRUSLSA-N 1 1 266.429 3.090 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C=C)cc2)[C@@H]1C ZINC000993853686 624065495 /nfs/dbraw/zinc/06/54/95/624065495.db2.gz AGHKEVLMAALBEU-WMLDXEAASA-N 1 1 284.403 3.098 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2csc(C)c2)[C@H]1C ZINC000993996170 624067279 /nfs/dbraw/zinc/06/72/79/624067279.db2.gz QQTGKYWYRGHGFJ-UKRRQHHQSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)c2ccsc2)C1 ZINC001015691146 624067508 /nfs/dbraw/zinc/06/75/08/624067508.db2.gz YVDAFNPDWQZQEV-UKRRQHHQSA-N 1 1 292.448 3.008 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](NC(=O)c2ccc(Cl)s2)[C@H]1C ZINC000994354102 624205321 /nfs/dbraw/zinc/20/53/21/624205321.db2.gz UXFCFRCIBRMLDU-MNOVXSKESA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cl)s2)[C@H]1C ZINC000994354102 624205323 /nfs/dbraw/zinc/20/53/23/624205323.db2.gz UXFCFRCIBRMLDU-MNOVXSKESA-N 1 1 298.839 3.170 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C2CCC=CCC2)[C@@H]1C ZINC000994447062 624225684 /nfs/dbraw/zinc/22/56/84/624225684.db2.gz BATBQPWKWBUTSU-DOTOQJQBSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC[N@@H+](C[C@H](O)COc1ccc2ccccc2c1)C(C)C ZINC000917069808 624234062 /nfs/dbraw/zinc/23/40/62/624234062.db2.gz WGAICASIWFSTLU-SFHVURJKSA-N 1 1 299.414 3.476 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1Cc1cccc(OC)c1 ZINC000917086642 624238134 /nfs/dbraw/zinc/23/81/34/624238134.db2.gz GVNNSPRBZPQIJY-CQSZACIVSA-N 1 1 265.784 3.455 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1c(C)cccc1C)C(C)C ZINC000917167068 624248668 /nfs/dbraw/zinc/24/86/68/624248668.db2.gz RJKLCZBTAYEKMH-UHFFFAOYSA-N 1 1 260.381 3.138 20 30 CGEDMO Cc1[nH]c(CSc2ccc(C#N)c(C)c2)c(C)[nH+]1 ZINC000917872735 624316933 /nfs/dbraw/zinc/31/69/33/624316933.db2.gz GWVBOQINZKZFPH-UHFFFAOYSA-N 1 1 257.362 3.499 20 30 CGEDMO C#CCCC[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000766902040 624394441 /nfs/dbraw/zinc/39/44/41/624394441.db2.gz CNHSZLMZNHESOG-IAGOWNOFSA-N 1 1 252.361 3.172 20 30 CGEDMO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1cnn(C2CCC2)c1 ZINC000925475283 624434765 /nfs/dbraw/zinc/43/47/65/624434765.db2.gz LGAXABBMFGADJU-GFCCVEGCSA-N 1 1 298.365 3.470 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cc(OC)ccc1O ZINC000179881416 624694648 /nfs/dbraw/zinc/69/46/48/624694648.db2.gz WMJSOAAEFUVGGR-UHFFFAOYSA-N 1 1 299.345 3.175 20 30 CGEDMO CCC[N@@H+](Cc1ccc(O[C@@H](C)C#N)cc1)C1CC1 ZINC000180097348 624714574 /nfs/dbraw/zinc/71/45/74/624714574.db2.gz LHEIEGCRRCUWMA-ZDUSSCGKSA-N 1 1 258.365 3.352 20 30 CGEDMO CC[N@H+]1CCC[C@H]1CNc1nc2ccccc2cc1C#N ZINC000071385748 625084192 /nfs/dbraw/zinc/08/41/92/625084192.db2.gz MNCCBWKPQUIZKL-HNNXBMFYSA-N 1 1 280.375 3.003 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@@](C)(OC)CC1 ZINC000877491184 635058048 /nfs/dbraw/zinc/05/80/48/635058048.db2.gz HHNURYKFLPPSPB-MRXNPFEDSA-N 1 1 251.414 3.461 20 30 CGEDMO CCOP(=O)(CCC[N@@H+](C)CC(C)(C)C#N)OCC ZINC000877549023 635084826 /nfs/dbraw/zinc/08/48/26/635084826.db2.gz GZLXDANLXJMMQQ-UHFFFAOYSA-N 1 1 290.344 3.124 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC000998112000 625790570 /nfs/dbraw/zinc/79/05/70/625790570.db2.gz RTIUNLRVRMVVSS-IXDOHACOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)c2ccc(CCC)cc2)CC1 ZINC001001104635 625889837 /nfs/dbraw/zinc/88/98/37/625889837.db2.gz GPPLUKZDOIFEPV-UHFFFAOYSA-N 1 1 298.430 3.187 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[C@@H](C)C2)CC1 ZINC001001225516 625893655 /nfs/dbraw/zinc/89/36/55/625893655.db2.gz KJGVCNSVYJFATD-NVXWUHKLSA-N 1 1 290.451 3.137 20 30 CGEDMO Cn1nc2c(c1C[NH2+][C@H](CCC#N)c1ccccc1)CCC2 ZINC000921922037 625933080 /nfs/dbraw/zinc/93/30/80/625933080.db2.gz FHYIODGMVGWTOC-MRXNPFEDSA-N 1 1 294.402 3.043 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)c2cscc2C)CC1 ZINC001002543860 625938843 /nfs/dbraw/zinc/93/88/43/625938843.db2.gz DTLTWBXZPXUGPJ-UHFFFAOYSA-N 1 1 298.839 3.003 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@H](c2ccccn2)C2CC2)c(F)c1 ZINC000922584712 626016582 /nfs/dbraw/zinc/01/65/82/626016582.db2.gz NPZCBVYXRAYLOF-KRWDZBQOSA-N 1 1 281.334 3.333 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1C1CCN(C(=O)C2CCC2)CC1 ZINC001004319789 626037331 /nfs/dbraw/zinc/03/73/31/626037331.db2.gz RPGDAWZPTYJBNA-KRWDZBQOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C(CC)CC)CC1 ZINC001004353614 626042238 /nfs/dbraw/zinc/04/22/38/626042238.db2.gz PGVYFYJHKHQNSX-QGZVFWFLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC([C@H]2CCC[N@@H+]2CCC)CC1 ZINC001004504259 626064269 /nfs/dbraw/zinc/06/42/69/626064269.db2.gz CBHWNWNTZAPMSS-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC([C@H]2CCC[N@@H+]2CC)CC1 ZINC001004540516 626065121 /nfs/dbraw/zinc/06/51/21/626065121.db2.gz RJKWNKLBJCMKIP-AEFFLSMTSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CCC1([NH2+]Cc2c[nH]c(-c3ccccc3)n2)CCC1 ZINC000922997454 626117411 /nfs/dbraw/zinc/11/74/11/626117411.db2.gz IVZZRKZBSRYGHJ-UHFFFAOYSA-N 1 1 265.360 3.112 20 30 CGEDMO C=CCC[C@@H]([NH2+]Cc1cnn(CC)n1)c1ccccc1 ZINC000838978364 626290131 /nfs/dbraw/zinc/29/01/31/626290131.db2.gz BPAHQOPIOZPITA-MRXNPFEDSA-N 1 1 270.380 3.095 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000839090374 626312643 /nfs/dbraw/zinc/31/26/43/626312643.db2.gz JTIRWYMJSJSSKX-LSDHHAIUSA-N 1 1 296.455 3.435 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000839524452 626356300 /nfs/dbraw/zinc/35/63/00/626356300.db2.gz GECVPVTYOBEDDR-KBRIMQKVSA-N 1 1 290.382 3.406 20 30 CGEDMO Oc1ccccc1/C=[NH+]\CCc1ccn(-c2ccccc2)n1 ZINC000750949089 626371661 /nfs/dbraw/zinc/37/16/61/626371661.db2.gz RXBVCDRJYNQJLC-RGEXLXHISA-N 1 1 291.354 3.240 20 30 CGEDMO CN1CCc2cc(C=[NH+]Nc3ccccc3)ccc21 ZINC000752712680 626435547 /nfs/dbraw/zinc/43/55/47/626435547.db2.gz CVIYDNHWMQAWRU-UHFFFAOYSA-N 1 1 251.333 3.125 20 30 CGEDMO C[C@@H]1CC(N=Nc2cc(F)c(F)cc2F)C[N@H+]1C1CC1 ZINC000753959202 626470187 /nfs/dbraw/zinc/47/01/87/626470187.db2.gz FRCVTDZLDMKPLS-MRVPVSSYSA-N 1 1 283.297 3.128 20 30 CGEDMO CCCCCCCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000754864922 626591180 /nfs/dbraw/zinc/59/11/80/626591180.db2.gz IDCSMNHQKONOFG-CABCVRRESA-N 1 1 283.460 3.129 20 30 CGEDMO CC(=NNc1cc[nH+]cc1)c1cc2ccc(C)cc2o1 ZINC000754974112 626594969 /nfs/dbraw/zinc/59/49/69/626594969.db2.gz RNDUFRRSKFHXKP-UHFFFAOYSA-N 1 1 265.316 3.394 20 30 CGEDMO C[C@H]1C[N@H+](Cc2ccccc2)CC1=NO[C@@H]1CCCCO1 ZINC000755820280 626650587 /nfs/dbraw/zinc/65/05/87/626650587.db2.gz BIUHQBTXODQHOT-WMLDXEAASA-N 1 1 288.391 3.038 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC1=NO[C@@H]1CCCCO1 ZINC000755820280 626650589 /nfs/dbraw/zinc/65/05/89/626650589.db2.gz BIUHQBTXODQHOT-WMLDXEAASA-N 1 1 288.391 3.038 20 30 CGEDMO C#CC[N@@H+](CC(=O)Nc1ccc(C)c(C)c1)C1CCCC1 ZINC000756910791 626740800 /nfs/dbraw/zinc/74/08/00/626740800.db2.gz AWMPUVOATWVSIW-UHFFFAOYSA-N 1 1 284.403 3.120 20 30 CGEDMO C#CC[N@H+](CC(=O)Nc1ccc(C)c(C)c1)C1CCCC1 ZINC000756910791 626740804 /nfs/dbraw/zinc/74/08/04/626740804.db2.gz AWMPUVOATWVSIW-UHFFFAOYSA-N 1 1 284.403 3.120 20 30 CGEDMO C#CC[C@@H]([NH2+]Cc1ccc(C#N)o1)c1ccccc1 ZINC000756996725 626746004 /nfs/dbraw/zinc/74/60/04/626746004.db2.gz RAIIPKDOLVUYKQ-MRXNPFEDSA-N 1 1 250.301 3.005 20 30 CGEDMO C=CC[N@H+](CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000839535051 626758666 /nfs/dbraw/zinc/75/86/66/626758666.db2.gz GMAKGJSWJWIVBT-AWEZNQCLSA-N 1 1 294.439 3.284 20 30 CGEDMO C#CC[N@H+](Cc1cnc2ccc(C)cc2c1)C1CC1 ZINC000839557889 626763494 /nfs/dbraw/zinc/76/34/94/626763494.db2.gz JRCIUTZEEPUHFA-UHFFFAOYSA-N 1 1 250.345 3.141 20 30 CGEDMO C[C@@H](C#N)C[NH2+]Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000757906055 626813763 /nfs/dbraw/zinc/81/37/63/626813763.db2.gz HEXIGTBYZULVRX-LBPRGKRZSA-N 1 1 258.365 3.039 20 30 CGEDMO CC#CCCOC(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC000760274282 626953256 /nfs/dbraw/zinc/95/32/56/626953256.db2.gz HJDJULTWRSZXCE-INIZCTEOSA-N 1 1 273.376 3.026 20 30 CGEDMO C#CCC[N@H+](CCc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000760840916 626995495 /nfs/dbraw/zinc/99/54/95/626995495.db2.gz JOGKPUVEGQZMJP-SFHVURJKSA-N 1 1 271.404 3.042 20 30 CGEDMO C=CCCCCCCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000805217973 627011752 /nfs/dbraw/zinc/01/17/52/627011752.db2.gz OLLBMJJXKQKTIR-HNNXBMFYSA-N 1 1 266.429 3.114 20 30 CGEDMO C[C@@H]1CC(N=Nc2ccc(C#N)c(C(F)(F)F)c2)C[N@H+]1C ZINC000761813009 627062797 /nfs/dbraw/zinc/06/27/97/627062797.db2.gz SVDORNJBKXOOFO-SECBINFHSA-N 1 1 296.296 3.069 20 30 CGEDMO CC[N@H+]1CCC(=NNCc2cnc3ccccc3c2)[C@@H](C)C1 ZINC000764779709 627223183 /nfs/dbraw/zinc/22/31/83/627223183.db2.gz STULQEZEZAWBDA-AWEZNQCLSA-N 1 1 296.418 3.042 20 30 CGEDMO C=CCCC[C@H](C)OC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000765487710 627253379 /nfs/dbraw/zinc/25/33/79/627253379.db2.gz FDGSEZXYQYDLEK-GOEBONIOSA-N 1 1 297.439 3.068 20 30 CGEDMO CC(C)c1[nH+]c(/C=C/C(=O)c2ccnn2C)c2ccccn21 ZINC000766034102 627289801 /nfs/dbraw/zinc/28/98/01/627289801.db2.gz NOCIJTCIXQFEDK-BQYQJAHWSA-N 1 1 294.358 3.087 20 30 CGEDMO C#CCCC[N@H+](C)[C@H]1CCCc2cc(OC)ccc21 ZINC000766897011 627368221 /nfs/dbraw/zinc/36/82/21/627368221.db2.gz ZCLCXPMXYSVPDO-KRWDZBQOSA-N 1 1 257.377 3.418 20 30 CGEDMO C#CCCC[N@H+](C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000766896632 627368376 /nfs/dbraw/zinc/36/83/76/627368376.db2.gz VXJGMOWPJLEUNR-MSOLQXFVSA-N 1 1 271.404 3.500 20 30 CGEDMO C#CCCC[N@H+](C)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000766906011 627369065 /nfs/dbraw/zinc/36/90/65/627369065.db2.gz OVEOXMJKPIHKEL-UHFFFAOYSA-N 1 1 294.439 3.168 20 30 CGEDMO N#Cc1ccc(Nc2ccc([NH+]3CCCCCC3)cc2)nn1 ZINC000767222889 627391204 /nfs/dbraw/zinc/39/12/04/627391204.db2.gz LSBNGWJBTZQFQJ-UHFFFAOYSA-N 1 1 293.374 3.472 20 30 CGEDMO C#C[C@H](CC)OC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000768041623 627451964 /nfs/dbraw/zinc/45/19/64/627451964.db2.gz MLQGYFSKXFOOFG-HZPDHXFCSA-N 1 1 273.376 3.025 20 30 CGEDMO CCOc1cccc(C[N@H+](CCC#N)CC(C)C)c1 ZINC000768153734 627463492 /nfs/dbraw/zinc/46/34/92/627463492.db2.gz IZOUXVSRJKBLJD-UHFFFAOYSA-N 1 1 260.381 3.457 20 30 CGEDMO CCOc1cccc(C[N@@H+](CCC#N)CC(C)C)c1 ZINC000768153734 627463494 /nfs/dbraw/zinc/46/34/94/627463494.db2.gz IZOUXVSRJKBLJD-UHFFFAOYSA-N 1 1 260.381 3.457 20 30 CGEDMO CC(C)C[N@H+](CCC#N)Cc1ccc(N2CCCC2)nc1 ZINC000768153493 627463670 /nfs/dbraw/zinc/46/36/70/627463670.db2.gz HCECDGWPTSJPDS-UHFFFAOYSA-N 1 1 286.423 3.053 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc(N2CCCC2)nc1 ZINC000768153493 627463673 /nfs/dbraw/zinc/46/36/73/627463673.db2.gz HCECDGWPTSJPDS-UHFFFAOYSA-N 1 1 286.423 3.053 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1OCCOC)C(C)C ZINC000768547381 627485765 /nfs/dbraw/zinc/48/57/65/627485765.db2.gz KCUJORSMYBZGRH-UHFFFAOYSA-N 1 1 263.381 3.108 20 30 CGEDMO CC[C@H]1CCC[N@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000769011534 627516740 /nfs/dbraw/zinc/51/67/40/627516740.db2.gz XSFPUWDGAZFGFT-HIFRSBDPSA-N 1 1 258.365 3.352 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000769103801 627522523 /nfs/dbraw/zinc/52/25/23/627522523.db2.gz CABKJXDFNVYJMJ-UHFFFAOYSA-N 1 1 284.315 3.310 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccc(OC)c(OCC(C)C)c1 ZINC000769106134 627522542 /nfs/dbraw/zinc/52/25/42/627522542.db2.gz QNAPUAYMCLNESK-UHFFFAOYSA-N 1 1 275.392 3.185 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@H](C)C[C@H]2C)cc1 ZINC000769470656 627557582 /nfs/dbraw/zinc/55/75/82/627557582.db2.gz NENZYNZUMBLKIF-MGPQQGTHSA-N 1 1 258.365 3.208 20 30 CGEDMO C#CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000769531987 627562765 /nfs/dbraw/zinc/56/27/65/627562765.db2.gz ZWOHSHPGRXLLCU-VQHVLOKHSA-N 1 1 284.359 3.486 20 30 CGEDMO C=CC[C@H]1[N@H+](C[C@@H]2CC3(CC3)C(=O)O2)CCCC1(C)C ZINC000769952607 627592306 /nfs/dbraw/zinc/59/23/06/627592306.db2.gz DRYLLMAJGIGIJR-UONOGXRCSA-N 1 1 277.408 3.149 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)CCOc1ccc2ccccc2c1 ZINC000769963634 627592648 /nfs/dbraw/zinc/59/26/48/627592648.db2.gz ZEEFOFBQHCSBLC-AWEZNQCLSA-N 1 1 253.345 3.172 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(Cl)cc2cccnc21 ZINC000769963035 627592831 /nfs/dbraw/zinc/59/28/31/627592831.db2.gz PLZBXKZQKZHFMT-LLVKDONJSA-N 1 1 258.752 3.342 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)Cc2cccc(O)c2)cc1 ZINC000771934781 627746607 /nfs/dbraw/zinc/74/66/07/627746607.db2.gz FEJVFGIPZSZFME-CQSZACIVSA-N 1 1 296.370 3.315 20 30 CGEDMO C=CC[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000772383695 627788826 /nfs/dbraw/zinc/78/88/26/627788826.db2.gz XDAFPLJTKNROJX-UHFFFAOYSA-N 1 1 266.728 3.399 20 30 CGEDMO C=CC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000772383695 627788829 /nfs/dbraw/zinc/78/88/29/627788829.db2.gz XDAFPLJTKNROJX-UHFFFAOYSA-N 1 1 266.728 3.399 20 30 CGEDMO CCc1noc(C)c1[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000773022445 627843720 /nfs/dbraw/zinc/84/37/20/627843720.db2.gz CSEKIGSBQRUCKX-JTQLQIEISA-N 1 1 287.338 3.407 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1ccc(Oc2ccccc2)o1)[C@H]1CCCO1 ZINC000775339939 628083911 /nfs/dbraw/zinc/08/39/11/628083911.db2.gz DUHRSQHISCEHDU-IAGOWNOFSA-N 1 1 297.354 3.342 20 30 CGEDMO C=C[C@H](CC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C)c1ccccc1 ZINC000874834869 634629721 /nfs/dbraw/zinc/62/97/21/634629721.db2.gz VAJPTKYTUVBNNK-NJAFHUGGSA-N 1 1 298.430 3.041 20 30 CGEDMO CCc1ccccc1N[NH+]=Cc1cnccc1N(C)C ZINC000776185071 628177361 /nfs/dbraw/zinc/17/73/61/628177361.db2.gz DNKFNUPEVQQBBK-UHFFFAOYSA-N 1 1 268.364 3.156 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@@H+](C)C1CCC1 ZINC000779158847 628391749 /nfs/dbraw/zinc/39/17/49/628391749.db2.gz ZHRCEIJDXCVEHY-UHFFFAOYSA-N 1 1 263.768 3.336 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@H+](C)C1CCC1 ZINC000779158847 628391751 /nfs/dbraw/zinc/39/17/51/628391751.db2.gz ZHRCEIJDXCVEHY-UHFFFAOYSA-N 1 1 263.768 3.336 20 30 CGEDMO C#CCCC[NH2+][C@@H](CCc1ccccc1)C(F)F ZINC000779398802 628410968 /nfs/dbraw/zinc/41/09/68/628410968.db2.gz IEQLKSQPROSCRS-AWEZNQCLSA-N 1 1 251.320 3.256 20 30 CGEDMO CCC(=NNC1=[NH+]C[C@H](C)N1)c1ccc(Cl)c(Cl)c1 ZINC000779794016 628432496 /nfs/dbraw/zinc/43/24/96/628432496.db2.gz ZTKUGIWCELLMEK-QMMMGPOBSA-N 1 1 299.205 3.045 20 30 CGEDMO CCC(=NNc1cc[nH+]cc1)c1cccc(Cl)c1 ZINC000779809063 628433360 /nfs/dbraw/zinc/43/33/60/628433360.db2.gz DVGAMWPUXFCUSM-UHFFFAOYSA-N 1 1 259.740 3.383 20 30 CGEDMO CSc1ccc(C(C)=NNc2cc[nH+]cc2)cc1 ZINC000779810278 628434024 /nfs/dbraw/zinc/43/40/24/628434024.db2.gz ZYNNTCVNFQDJNE-UHFFFAOYSA-N 1 1 257.362 3.062 20 30 CGEDMO C(=NNc1cc[nH+]cc1)c1cnc(-c2ccccc2)s1 ZINC000779812181 628434562 /nfs/dbraw/zinc/43/45/62/628434562.db2.gz ZSJBDDZWOVKJAE-UHFFFAOYSA-N 1 1 280.356 3.073 20 30 CGEDMO C=CCCC[N@H+](C)CN1C[C@@](C)(C2CCCC2)CC1=O ZINC000780443682 628490005 /nfs/dbraw/zinc/49/00/05/628490005.db2.gz ODWDYYNGNCDLBI-KRWDZBQOSA-N 1 1 278.440 3.271 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2cc3cc(F)ccc3o2)nc1 ZINC000780554123 628498425 /nfs/dbraw/zinc/49/84/25/628498425.db2.gz IQFHFPWYWMICQQ-UHFFFAOYSA-N 1 1 281.290 3.128 20 30 CGEDMO CC[C@@H](C#N)OC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000781175472 628543832 /nfs/dbraw/zinc/54/38/32/628543832.db2.gz MRURQBKEBZELAI-INIZCTEOSA-N 1 1 288.391 3.376 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1cc(F)cc(F)c1 ZINC000783299395 628700675 /nfs/dbraw/zinc/70/06/75/628700675.db2.gz BSKUKAGXMFGTTO-SNVBAGLBSA-N 1 1 273.286 3.082 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)OCCCCC(C)(C)C#N ZINC000785731266 628883030 /nfs/dbraw/zinc/88/30/30/628883030.db2.gz OESGYCKRJZOPKE-OKILXGFUSA-N 1 1 280.412 3.122 20 30 CGEDMO C=C[C@](C)(CC)C(=O)OCC[C@H]1CCCC[N@H+]1C ZINC000785770868 628887467 /nfs/dbraw/zinc/88/74/67/628887467.db2.gz YSDLUWVQJXMUGX-UKRRQHHQSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000786435995 628932799 /nfs/dbraw/zinc/93/27/99/628932799.db2.gz KFJVIFSXQUQDDG-CQSZACIVSA-N 1 1 282.428 3.141 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(OC)ccc1OCOC ZINC000787311949 629008688 /nfs/dbraw/zinc/00/86/88/629008688.db2.gz YSJKBNIAFJJCRG-HNNXBMFYSA-N 1 1 291.391 3.218 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)[C@H](CCO)c2ccccc2)cc1 ZINC000788846888 629086612 /nfs/dbraw/zinc/08/66/12/629086612.db2.gz MPRBPJSIVOKXTN-LJQANCHMSA-N 1 1 279.383 3.223 20 30 CGEDMO CC(C)C[N@H+](CCC#N)CCCCOC(C)(C)C ZINC000789325955 629122280 /nfs/dbraw/zinc/12/22/80/629122280.db2.gz KCLVRCDAIRBORJ-UHFFFAOYSA-N 1 1 254.418 3.453 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000790357397 629208030 /nfs/dbraw/zinc/20/80/30/629208030.db2.gz PBDGGXLAMXCIAB-ZWKOTPCHSA-N 1 1 298.430 3.218 20 30 CGEDMO C#C[C@@H](CCC)[NH2+][C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000790547815 629216939 /nfs/dbraw/zinc/21/69/39/629216939.db2.gz ZOENPEYYKHVHFV-ZWKOTPCHSA-N 1 1 298.430 3.132 20 30 CGEDMO CCCCCCCC[N@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000791589887 629291398 /nfs/dbraw/zinc/29/13/98/629291398.db2.gz JKEHZHRXMCVYSG-HOTGVXAUSA-N 1 1 269.429 3.227 20 30 CGEDMO C=CC[C@H]([NH2+]Cc1cnc(C2CC2)o1)c1ccncc1 ZINC000862279479 629337966 /nfs/dbraw/zinc/33/79/66/629337966.db2.gz ABYQIVMTNJCSPK-HNNXBMFYSA-N 1 1 269.348 3.354 20 30 CGEDMO CN(C)c1cc(F)c(C[NH+]2CCC(CC#N)CC2)cc1F ZINC000862312674 629342241 /nfs/dbraw/zinc/34/22/41/629342241.db2.gz RJKWZTWBGJZONJ-UHFFFAOYSA-N 1 1 293.361 3.156 20 30 CGEDMO C#CC[N@H+](Cc1ccc(N(C)CC)nc1)C1CCCCC1 ZINC000792166349 629342596 /nfs/dbraw/zinc/34/25/96/629342596.db2.gz YIDZLIRTMZIUJQ-UHFFFAOYSA-N 1 1 285.435 3.306 20 30 CGEDMO CCn1ccc(C[N@@H+](C)CCCOc2ccc(C#N)cc2)c1 ZINC000792310731 629355643 /nfs/dbraw/zinc/35/56/43/629355643.db2.gz CARQNTBCYGRCTF-UHFFFAOYSA-N 1 1 297.402 3.281 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(OC)c(OCC(=C)C)c2)C1 ZINC000862443215 629375430 /nfs/dbraw/zinc/37/54/30/629375430.db2.gz LWQQCDBTLRKXKQ-MRXNPFEDSA-N 1 1 299.414 3.495 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(OCCC)cc2)C1 ZINC000862444124 629376952 /nfs/dbraw/zinc/37/69/52/629376952.db2.gz YDLZGYFSNJBIIB-OAHLLOKOSA-N 1 1 257.377 3.321 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2coc(-c3ccc(C)cc3)n2)C1 ZINC000862445102 629378109 /nfs/dbraw/zinc/37/81/09/629378109.db2.gz LXWPFDCCQACTFO-HNNXBMFYSA-N 1 1 280.371 3.495 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000862445060 629378475 /nfs/dbraw/zinc/37/84/75/629378475.db2.gz LAZZHYDWLPDLIY-HNNXBMFYSA-N 1 1 269.388 3.321 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cnc(C)n2-c2ccccc2)C1 ZINC000862445361 629379301 /nfs/dbraw/zinc/37/93/01/629379301.db2.gz RJRATJYDDGBKNJ-MRXNPFEDSA-N 1 1 279.387 3.026 20 30 CGEDMO CN1c2ccccc2C(C)(C)/C1=C\C=[NH+]n1cccn1 ZINC000863166291 629487580 /nfs/dbraw/zinc/48/75/80/629487580.db2.gz WXGPGCMWGYVKAK-IJSAQSNKSA-N 1 1 266.348 3.029 20 30 CGEDMO C=CC1CC[NH+](CN2C[C@H](c3ccccc3)OC2=O)CC1 ZINC000863258594 629514399 /nfs/dbraw/zinc/51/43/99/629514399.db2.gz FTTJJZBBONPRDB-MRXNPFEDSA-N 1 1 286.375 3.035 20 30 CGEDMO C[C@@H]1CC(=NNCCC(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000794553068 629555394 /nfs/dbraw/zinc/55/53/94/629555394.db2.gz XANCKFYRDPPZGN-GFCCVEGCSA-N 1 1 299.340 3.179 20 30 CGEDMO C[C@@H]1CC(=NNCCC(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000794553068 629555397 /nfs/dbraw/zinc/55/53/97/629555397.db2.gz XANCKFYRDPPZGN-GFCCVEGCSA-N 1 1 299.340 3.179 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H](C)[S@](=O)[C@@H](CC)C1 ZINC000796376221 629773735 /nfs/dbraw/zinc/77/37/35/629773735.db2.gz NWTCGBSZDCDMMH-ZQIUZPCESA-N 1 1 259.459 3.188 20 30 CGEDMO C=CCCCCC[N@@H+](CCO)Cc1cccnc1Cl ZINC000796555673 629800317 /nfs/dbraw/zinc/80/03/17/629800317.db2.gz FOYIHGFWRCVLCA-UHFFFAOYSA-N 1 1 282.815 3.276 20 30 CGEDMO C=CCCCCC[N@H+](CCO)Cc1cccnc1Cl ZINC000796555673 629800321 /nfs/dbraw/zinc/80/03/21/629800321.db2.gz FOYIHGFWRCVLCA-UHFFFAOYSA-N 1 1 282.815 3.276 20 30 CGEDMO C#CC[N@H+](CCCCCn1cc(C)cn1)Cc1ccccc1 ZINC000796641368 629809900 /nfs/dbraw/zinc/80/99/00/629809900.db2.gz PMEVWLIYNAHYAB-UHFFFAOYSA-N 1 1 295.430 3.497 20 30 CGEDMO CC(C)C[N@H+](CCC#N)CCCN(C)C(=O)OC(C)(C)C ZINC000797965205 630010646 /nfs/dbraw/zinc/01/06/46/630010646.db2.gz IOSPBCFMRIGSRG-UHFFFAOYSA-N 1 1 297.443 3.115 20 30 CGEDMO C=CCCCCCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000836625201 634786091 /nfs/dbraw/zinc/78/60/91/634786091.db2.gz NFRPQMZKKAWFFP-MQVJKMGUSA-N 1 1 293.455 3.047 20 30 CGEDMO CC(=[NH+]Nc1ccc(C)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000799105393 630142569 /nfs/dbraw/zinc/14/25/69/630142569.db2.gz VXKRBPFPZHKWSM-UHFFFAOYSA-N 1 1 284.319 3.322 20 30 CGEDMO C[C@H](C1CCCCC1)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000801600440 630347740 /nfs/dbraw/zinc/34/77/40/630347740.db2.gz GVFMIPRDZAVQPJ-RDTXWAMCSA-N 1 1 286.419 3.492 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+](C)Cc1csc2ccccc12 ZINC000801914519 630364734 /nfs/dbraw/zinc/36/47/34/630364734.db2.gz JMPOFZRWJKNEII-LBPRGKRZSA-N 1 1 274.389 3.262 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC000801913300 630365031 /nfs/dbraw/zinc/36/50/31/630365031.db2.gz SJSQWYXFTJTKIG-WFASDCNBSA-N 1 1 278.783 3.406 20 30 CGEDMO CC(C)[N@@H+](CCO[C@H](C)C#N)Cc1cccc(Cl)c1 ZINC000801915607 630365667 /nfs/dbraw/zinc/36/56/67/630365667.db2.gz SNBOOWIZKGRHSR-CYBMUJFWSA-N 1 1 280.799 3.479 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000801923271 630367933 /nfs/dbraw/zinc/36/79/33/630367933.db2.gz CONJYLOBQDCVRL-ZMSDIMECSA-N 1 1 272.392 3.041 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000801930131 630369110 /nfs/dbraw/zinc/36/91/10/630369110.db2.gz GOZHPNREPZQADY-SUMWQHHRSA-N 1 1 270.376 3.067 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000801938316 630370503 /nfs/dbraw/zinc/37/05/03/630370503.db2.gz DNXZAYYSGCJBMM-HUUCEWRRSA-N 1 1 290.382 3.324 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCCC2(CCCCC2)CC1 ZINC000801950416 630372712 /nfs/dbraw/zinc/37/27/12/630372712.db2.gz ZJJDUQZLYIMQRM-OAHLLOKOSA-N 1 1 264.413 3.351 20 30 CGEDMO CC(C)(C)[C@@H]1CCC1=[NH+]n1cc(Br)cn1 ZINC000807979879 630610323 /nfs/dbraw/zinc/61/03/23/630610323.db2.gz YUFIGKFYIDMNJW-SECBINFHSA-N 1 1 270.174 3.306 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)CN1C(=O)CCC1(C)C ZINC000808146835 630626790 /nfs/dbraw/zinc/62/67/90/630626790.db2.gz YXZYRPPJLKQXPG-UHFFFAOYSA-N 1 1 299.418 3.127 20 30 CGEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)CN1C(=O)CCC1(C)C ZINC000808146835 630626791 /nfs/dbraw/zinc/62/67/91/630626791.db2.gz YXZYRPPJLKQXPG-UHFFFAOYSA-N 1 1 299.418 3.127 20 30 CGEDMO N#CCC1(C[N@@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)CC1 ZINC000878222859 635420941 /nfs/dbraw/zinc/42/09/41/635420941.db2.gz JHFGACVLGPOGBK-IRXDYDNUSA-N 1 1 284.403 3.268 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCN(C)c3ccccc3C2)cc1 ZINC000809567588 630751683 /nfs/dbraw/zinc/75/16/83/630751683.db2.gz KMMGDZQKYPOGSO-UHFFFAOYSA-N 1 1 276.383 3.120 20 30 CGEDMO C#Cc1ccc(CNC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000809606200 630760256 /nfs/dbraw/zinc/76/02/56/630760256.db2.gz VUJHSULQOHCGFH-HOTGVXAUSA-N 1 1 270.420 3.020 20 30 CGEDMO C#Cc1ccc(CNC[C@H](C)[N@H+]2CCCC[C@@H]2C)cc1 ZINC000809606200 630760259 /nfs/dbraw/zinc/76/02/59/630760259.db2.gz VUJHSULQOHCGFH-HOTGVXAUSA-N 1 1 270.420 3.020 20 30 CGEDMO C#Cc1ccc(C[NH2+][C@@H](C)c2nc(C)cs2)cc1 ZINC000809613590 630761942 /nfs/dbraw/zinc/76/19/42/630761942.db2.gz ZCWKGKJCKIMBSF-LBPRGKRZSA-N 1 1 256.374 3.284 20 30 CGEDMO C#Cc1ccc(C[NH2+]Cc2ccn(-c3ccccc3)n2)cc1 ZINC000809611189 630762423 /nfs/dbraw/zinc/76/24/23/630762423.db2.gz VGVOLTLEUOIJDR-UHFFFAOYSA-N 1 1 287.366 3.143 20 30 CGEDMO C#C[C@@H](CC)[NH2+]Cc1c(C)nn(CCCC)c1Cl ZINC000809686266 630778843 /nfs/dbraw/zinc/77/88/43/630778843.db2.gz GHGRJUUXTBXZGC-LBPRGKRZSA-N 1 1 267.804 3.146 20 30 CGEDMO C#C[C@H](NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)C(C)C ZINC000809685883 630782019 /nfs/dbraw/zinc/78/20/19/630782019.db2.gz XULDKAJVUIIGNM-NJAFHUGGSA-N 1 1 276.468 3.277 20 30 CGEDMO C#C[C@H](CC)[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000809686183 630782200 /nfs/dbraw/zinc/78/22/00/630782200.db2.gz YKBLSUDPXLDBPY-SECBINFHSA-N 1 1 273.710 3.443 20 30 CGEDMO CC[C@@](C)([NH2+]Cc1nc(C#N)cs1)c1ccccc1 ZINC000810143313 630846048 /nfs/dbraw/zinc/84/60/48/630846048.db2.gz FAZCYLFJRWHDJJ-OAHLLOKOSA-N 1 1 271.389 3.430 20 30 CGEDMO Cc1cc([NH+](C)C)cc(C)c1NCc1nc(C#N)cs1 ZINC000810153136 630847994 /nfs/dbraw/zinc/84/79/94/630847994.db2.gz OVJPOWSJMRWKTK-UHFFFAOYSA-N 1 1 286.404 3.310 20 30 CGEDMO C=CCCCCCN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810428042 630876832 /nfs/dbraw/zinc/87/68/32/630876832.db2.gz QRCUYAOOIULTMG-KRWDZBQOSA-N 1 1 298.446 3.404 20 30 CGEDMO C#C[C@@H](C)[NH2+]Cc1c(Cl)cc(Cl)cc1N(C)C ZINC000811505175 631077748 /nfs/dbraw/zinc/07/77/48/631077748.db2.gz HINNBEMKBRUARN-SECBINFHSA-N 1 1 271.191 3.171 20 30 CGEDMO C=C(C)CNN=C1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000811651543 631098936 /nfs/dbraw/zinc/09/89/36/631098936.db2.gz CKKDXWXALMEWCH-OAHLLOKOSA-N 1 1 271.408 3.050 20 30 CGEDMO C=C(C)CNN=C1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000811651543 631098942 /nfs/dbraw/zinc/09/89/42/631098942.db2.gz CKKDXWXALMEWCH-OAHLLOKOSA-N 1 1 271.408 3.050 20 30 CGEDMO CC(=[NH+]OC/C=C\Cl)c1ccc(N2CCOCC2)cc1 ZINC000811670494 631108272 /nfs/dbraw/zinc/10/82/72/631108272.db2.gz UCLWJZSQUOAUEW-FQDKZAGOSA-N 1 1 294.782 3.016 20 30 CGEDMO CCC[N@@H+](CC)C[C@H](C)Nc1cc(C#N)ccc1C(C)=O ZINC000811869326 631128402 /nfs/dbraw/zinc/12/84/02/631128402.db2.gz KMNXEAXEMSMCQG-ZDUSSCGKSA-N 1 1 287.407 3.293 20 30 CGEDMO CC(=[NH+]Nc1ccc(C)cc1)c1cc([N+](=O)[O-])ccc1N ZINC000814686013 631623353 /nfs/dbraw/zinc/62/33/53/631623353.db2.gz TVGFCOFGXMUVJD-UHFFFAOYSA-N 1 1 284.319 3.322 20 30 CGEDMO Nc1ccc2c(c1)C(=[NH+]OC/C=C\Cl)CCC2 ZINC000814934366 631689678 /nfs/dbraw/zinc/68/96/78/631689678.db2.gz SILIINYPBZRJHS-GIWJDWNJSA-N 1 1 250.729 3.078 20 30 CGEDMO C=CCSCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816548486 632007744 /nfs/dbraw/zinc/00/77/44/632007744.db2.gz JINKAUOWDMYQQX-UHFFFAOYSA-N 1 1 275.776 3.194 20 30 CGEDMO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H](CN)C2CC2)cc1 ZINC000817959494 632254929 /nfs/dbraw/zinc/25/49/29/632254929.db2.gz GQLYQNXMVQNJEY-WBMJQRKESA-N 1 1 294.826 3.206 20 30 CGEDMO C[N@@H+](CCc1ccc(C#N)cc1)CCc1cccc(C#N)c1 ZINC000879433415 635786514 /nfs/dbraw/zinc/78/65/14/635786514.db2.gz ZGDXSDSAKQYPRU-UHFFFAOYSA-N 1 1 289.382 3.147 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](CC[C@@H]1CC1(Cl)Cl)C1CC1 ZINC000822780801 633020990 /nfs/dbraw/zinc/02/09/90/633020990.db2.gz VISXORKKNUICMW-VHSXEESVSA-N 1 1 261.196 3.194 20 30 CGEDMO Cc1cc(C)cc(-c2noc([C@H]([NH3+])CCCC#N)n2)c1 ZINC000822804076 633023370 /nfs/dbraw/zinc/02/33/70/633023370.db2.gz WEGUYGZKVMEWOQ-CYBMUJFWSA-N 1 1 270.336 3.047 20 30 CGEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)C[C@](C)(O)c1ccccc1 ZINC000823590622 633124547 /nfs/dbraw/zinc/12/45/47/633124547.db2.gz FTCPAWLYCNPULE-SFHVURJKSA-N 1 1 298.361 3.037 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)c1ccccc1F ZINC000823617174 633127550 /nfs/dbraw/zinc/12/75/50/633127550.db2.gz GJRYDYCBKIQYSW-FZKQIMNGSA-N 1 1 298.361 3.424 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000866583126 633202815 /nfs/dbraw/zinc/20/28/15/633202815.db2.gz PAEFHBBVQWMTCJ-DAXOMENPSA-N 1 1 272.417 3.304 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1cc2ccccc2c(OC)c1 ZINC000824297129 633225662 /nfs/dbraw/zinc/22/56/62/633225662.db2.gz PZGBODHPWQTWGX-ZDUSSCGKSA-N 1 1 253.345 3.302 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1cnc(CCc2ccccc2)s1 ZINC000824296110 633226074 /nfs/dbraw/zinc/22/60/74/633226074.db2.gz AUIYJKRXJRCKEW-AWEZNQCLSA-N 1 1 284.428 3.382 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1cnc(CCc2ccccc2)s1 ZINC000824296110 633226095 /nfs/dbraw/zinc/22/60/95/633226095.db2.gz AUIYJKRXJRCKEW-AWEZNQCLSA-N 1 1 284.428 3.382 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@H+]2CC[C@@H]2C2CC2)cc1 ZINC000824649318 633267622 /nfs/dbraw/zinc/26/76/22/633267622.db2.gz CLZCRPFVTRJVKL-QGZVFWFLSA-N 1 1 269.392 3.021 20 30 CGEDMO CCn1ccnc1[C@H](C)[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000825005426 633317053 /nfs/dbraw/zinc/31/70/53/633317053.db2.gz KFBAXERFSZBFOR-KGLIPLIRSA-N 1 1 298.390 3.045 20 30 CGEDMO C#Cc1cccc(C[NH2+]Cc2nc3c(s2)CCCC3)c1 ZINC000825226329 633337492 /nfs/dbraw/zinc/33/74/92/633337492.db2.gz FZCXFAMLFQCGEV-UHFFFAOYSA-N 1 1 282.412 3.293 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](C[C@@H]2CCO[C@@H](CC)C2)C1 ZINC000826948161 633445597 /nfs/dbraw/zinc/44/55/97/633445597.db2.gz WQHHUCLXKPXYKZ-OAGGEKHMSA-N 1 1 251.414 3.480 20 30 CGEDMO C[C@H](C[C@@H]1CCCC[N@H+]1C)OC(=O)CCCCCC#N ZINC000870785295 633646110 /nfs/dbraw/zinc/64/61/10/633646110.db2.gz NQHWXXKECQRJRB-CABCVRRESA-N 1 1 280.412 3.267 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000829774380 633779860 /nfs/dbraw/zinc/77/98/60/633779860.db2.gz POYKZRHRYZHDPH-DLBZAZTESA-N 1 1 298.430 3.366 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](CCCCCn2cc(C)cn2)C1 ZINC000829785836 633783428 /nfs/dbraw/zinc/78/34/28/633783428.db2.gz ZHXQRFHUPYPGRL-QGZVFWFLSA-N 1 1 273.424 3.097 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000829784898 633784345 /nfs/dbraw/zinc/78/43/45/633784345.db2.gz NYJSVDDSHIQOEO-GFCCVEGCSA-N 1 1 292.766 3.484 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000829793991 633785826 /nfs/dbraw/zinc/78/58/26/633785826.db2.gz PMGGPHDMRKGHCW-INIZCTEOSA-N 1 1 279.387 3.108 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2nccn2-c2ccccc2)C1 ZINC000829811162 633794537 /nfs/dbraw/zinc/79/45/37/633794537.db2.gz YTWJCKCZNDPHCW-INIZCTEOSA-N 1 1 279.387 3.108 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](CC/C=C/c2cncc(OC)c2)C1 ZINC000829814933 633795499 /nfs/dbraw/zinc/79/54/99/633795499.db2.gz CJSWKAJGUMSHFD-KZJSRBBCSA-N 1 1 284.403 3.229 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000871931251 633919538 /nfs/dbraw/zinc/91/95/38/633919538.db2.gz BAPNDPFTIVZJIK-VIFPVBQESA-N 1 1 287.310 3.300 20 30 CGEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2ccccc2OCC)no1 ZINC000872172907 634078170 /nfs/dbraw/zinc/07/81/70/634078170.db2.gz HVURYTQISLDJGS-NSHDSACASA-N 1 1 293.754 3.278 20 30 CGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2cccc(COC)c2)no1 ZINC000872175130 634079495 /nfs/dbraw/zinc/07/94/95/634079495.db2.gz HOJMPVCHUSQRRI-GFCCVEGCSA-N 1 1 293.754 3.025 20 30 CGEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2cscc2C)no1 ZINC000872181080 634080130 /nfs/dbraw/zinc/08/01/30/634080130.db2.gz XODURZHRMIAWCZ-VIFPVBQESA-N 1 1 269.757 3.249 20 30 CGEDMO CCCCCCCCC(=O)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000834599626 634195751 /nfs/dbraw/zinc/19/57/51/634195751.db2.gz MUDCDQXHYAINBF-HOTGVXAUSA-N 1 1 298.446 3.382 20 30 CGEDMO Cc1cc(N(C)C)ccc1C[NH2+]Cc1cccc(F)c1C#N ZINC000873051407 634237842 /nfs/dbraw/zinc/23/78/42/634237842.db2.gz BFJSHGSBYWDFNP-UHFFFAOYSA-N 1 1 297.377 3.362 20 30 CGEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CCn2ccnc21 ZINC000834831607 634252154 /nfs/dbraw/zinc/25/21/54/634252154.db2.gz KQYJTVJZPPVNFQ-DLBZAZTESA-N 1 1 292.386 3.257 20 30 CGEDMO C#CCOc1ccc(C[NH2+][C@@H](C)c2cscn2)cc1 ZINC000834890429 634270012 /nfs/dbraw/zinc/27/00/12/634270012.db2.gz JTBCDOACUOFYAA-LBPRGKRZSA-N 1 1 272.373 3.006 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(C(F)(F)F)nc1 ZINC000873185183 634275246 /nfs/dbraw/zinc/27/52/46/634275246.db2.gz REJNHTQXINYIAX-SECBINFHSA-N 1 1 295.264 3.416 20 30 CGEDMO CC[N@H+](C/C=C/c1ccc(N(C)C)cc1)C[C@@H](C)C#N ZINC000835025969 634324497 /nfs/dbraw/zinc/32/44/97/634324497.db2.gz PFNPEUOQUBRHMU-LFAOLKIESA-N 1 1 271.408 3.247 20 30 CGEDMO CC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)C[C@@H](C)C#N ZINC000835025969 634324500 /nfs/dbraw/zinc/32/45/00/634324500.db2.gz PFNPEUOQUBRHMU-LFAOLKIESA-N 1 1 271.408 3.247 20 30 CGEDMO CC[N@H+](C/C=C\c1ccc(N(C)C)cc1)C[C@@H](C)C#N ZINC000835025971 634325842 /nfs/dbraw/zinc/32/58/42/634325842.db2.gz PFNPEUOQUBRHMU-XHPSBEMXSA-N 1 1 271.408 3.247 20 30 CGEDMO CC[N@@H+](C/C=C\c1ccc(N(C)C)cc1)C[C@@H](C)C#N ZINC000835025971 634325845 /nfs/dbraw/zinc/32/58/45/634325845.db2.gz PFNPEUOQUBRHMU-XHPSBEMXSA-N 1 1 271.408 3.247 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)Cc1ccn(-c2ccccc2)n1 ZINC000876621740 634869970 /nfs/dbraw/zinc/86/99/70/634869970.db2.gz HCTPYKAYMLWKFO-OAHLLOKOSA-N 1 1 282.391 3.244 20 30 CGEDMO C#CCCCCCC[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000876780545 634897606 /nfs/dbraw/zinc/89/76/06/634897606.db2.gz WPLPSCRBLSTOMM-QGZVFWFLSA-N 1 1 263.425 3.319 20 30 CGEDMO C=C(C)[C@@H](CC(=O)OC[C@@H]1CCCC[N@H+]1C(C)C)OCC ZINC000837598681 634946617 /nfs/dbraw/zinc/94/66/17/634946617.db2.gz UYMJYUYNWVMXRU-JKSUJKDBSA-N 1 1 297.439 3.164 20 30 CGEDMO C=C[C@](C)(CCOC)C(=O)OC[C@H]1CCCC[N@H+]1C(C)C ZINC000837656027 634959592 /nfs/dbraw/zinc/95/95/92/634959592.db2.gz LRJOSBOPCGCFEW-NVXWUHKLSA-N 1 1 297.439 3.021 20 30 CGEDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877312293 635023066 /nfs/dbraw/zinc/02/30/66/635023066.db2.gz CQCFYJTUTKJKMT-CYBMUJFWSA-N 1 1 277.799 3.475 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cnc2c(F)cccc2c1 ZINC000877473432 635051111 /nfs/dbraw/zinc/05/11/11/635051111.db2.gz LSYPOOGLLGIBNM-UHFFFAOYSA-N 1 1 274.339 3.008 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@H](c2nccn2C)C1 ZINC000877481159 635053521 /nfs/dbraw/zinc/05/35/21/635053521.db2.gz WUWYJXKHAMXUMO-INIZCTEOSA-N 1 1 273.424 3.183 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1cc2c(cc[nH]c2=O)o1 ZINC000877483465 635054494 /nfs/dbraw/zinc/05/44/94/635054494.db2.gz NPRODGDDWTUOPE-NSHDSACASA-N 1 1 258.321 3.074 20 30 CGEDMO C#C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000877541494 635080972 /nfs/dbraw/zinc/08/09/72/635080972.db2.gz OXGPRSRMESURCV-KCXAZCMYSA-N 1 1 276.811 3.087 20 30 CGEDMO C#CCCCCCC[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000877610736 635111752 /nfs/dbraw/zinc/11/17/52/635111752.db2.gz XYLNEUSNWINIFO-GOSISDBHSA-N 1 1 284.403 3.107 20 30 CGEDMO C[N@H+]1CC[C@H]2CN(Cc3ccc(C(C)(C)C#N)cc3)CC[C@@H]21 ZINC000877738743 635173134 /nfs/dbraw/zinc/17/31/34/635173134.db2.gz CVEFWGVERXDTDU-WMZOPIPTSA-N 1 1 297.446 3.014 20 30 CGEDMO COc1ccccc1[C@@H]1C[N@H+](C[C@H](C)CCC#N)CCO1 ZINC000877755474 635184378 /nfs/dbraw/zinc/18/43/78/635184378.db2.gz KYOXNTUXFCIQGN-PBHICJAKSA-N 1 1 288.391 3.008 20 30 CGEDMO COc1ccccc1[C@@H]1C[N@@H+](C[C@H](C)CCC#N)CCO1 ZINC000877755474 635184381 /nfs/dbraw/zinc/18/43/81/635184381.db2.gz KYOXNTUXFCIQGN-PBHICJAKSA-N 1 1 288.391 3.008 20 30 CGEDMO CC1CCC(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC000842149804 635296228 /nfs/dbraw/zinc/29/62/28/635296228.db2.gz GDCKCFYKPZMGIA-JTTJXQCZSA-N 1 1 286.419 3.350 20 30 CGEDMO Cc1ccc(F)cc1C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000842156872 635298331 /nfs/dbraw/zinc/29/83/31/635298331.db2.gz AEFQSMQJBLGJOP-SFHVURJKSA-N 1 1 298.361 3.171 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000878136518 635374601 /nfs/dbraw/zinc/37/46/01/635374601.db2.gz AXDLXJDCDJMGLP-RDJZCZTQSA-N 1 1 259.393 3.490 20 30 CGEDMO CC(C)[C@H](O)CC[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000878154079 635383838 /nfs/dbraw/zinc/38/38/38/635383838.db2.gz UMBYWPFVSIMJBI-KZNAEPCWSA-N 1 1 286.419 3.165 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000878166072 635388884 /nfs/dbraw/zinc/38/88/84/635388884.db2.gz KWEBOPHHMKVZKG-CVEARBPZSA-N 1 1 286.419 3.093 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000878166075 635389203 /nfs/dbraw/zinc/38/92/03/635389203.db2.gz KWEBOPHHMKVZKG-JKSUJKDBSA-N 1 1 286.419 3.093 20 30 CGEDMO C#CCCCCC[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000878192602 635405164 /nfs/dbraw/zinc/40/51/64/635405164.db2.gz GRUSRKJXCGGRCJ-AWEZNQCLSA-N 1 1 263.406 3.315 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cc(CC=C)cc(OC)c2O)C1 ZINC000842628260 635420668 /nfs/dbraw/zinc/42/06/68/635420668.db2.gz WDMCSWSAZKISBB-HNNXBMFYSA-N 1 1 299.414 3.365 20 30 CGEDMO C=C(C)C[N@@H+](CCCC1CC1)Cc1ccc(CO)o1 ZINC000878605840 635566152 /nfs/dbraw/zinc/56/61/52/635566152.db2.gz FDVQCUBMUHXTNS-UHFFFAOYSA-N 1 1 263.381 3.340 20 30 CGEDMO C#CCCCCC[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000878729309 635617922 /nfs/dbraw/zinc/61/79/22/635617922.db2.gz FZMCBCMEHOWEGY-QGZVFWFLSA-N 1 1 275.436 3.461 20 30 CGEDMO C#CCCCCC[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000878954401 635665616 /nfs/dbraw/zinc/66/56/16/635665616.db2.gz VSLSJHXYEXPMQA-IAGOWNOFSA-N 1 1 263.425 3.461 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000843423455 635666318 /nfs/dbraw/zinc/66/63/18/635666318.db2.gz DUQMIJZYESMPHS-GFCCVEGCSA-N 1 1 293.794 3.290 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000843423418 635667155 /nfs/dbraw/zinc/66/71/55/635667155.db2.gz DAKIITLMIAFDHZ-CYBMUJFWSA-N 1 1 285.416 3.374 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC000843423911 635667928 /nfs/dbraw/zinc/66/79/28/635667928.db2.gz LLNYXMAABXJVQU-MRXNPFEDSA-N 1 1 287.451 3.490 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC000879008613 635680443 /nfs/dbraw/zinc/68/04/43/635680443.db2.gz VAKAKZAUOHQUGD-NWDGAFQWSA-N 1 1 294.420 3.074 20 30 CGEDMO C#CCCCCC[N@H+]1CCc2cccc(NC(C)=O)c2C1 ZINC000879237346 635730425 /nfs/dbraw/zinc/73/04/25/635730425.db2.gz CTSOYKHUCAFXRT-UHFFFAOYSA-N 1 1 284.403 3.197 20 30 CGEDMO C[N@H+](C[C@H](O)c1cccc2ccccc21)[C@H]1CCC[C@H]1C#N ZINC000879310551 635752579 /nfs/dbraw/zinc/75/25/79/635752579.db2.gz VPRDCXVHSLVERU-SNRMKQJTSA-N 1 1 294.398 3.497 20 30 CGEDMO C[N@@H+](C[C@H](O)c1cccc2ccccc21)[C@H]1CCC[C@H]1C#N ZINC000879310551 635752583 /nfs/dbraw/zinc/75/25/83/635752583.db2.gz VPRDCXVHSLVERU-SNRMKQJTSA-N 1 1 294.398 3.497 20 30 CGEDMO C#CCCCCCN1C[C@@H]2C[C@H]1C[N@H+]2CCCCCC#C ZINC000879353569 635764065 /nfs/dbraw/zinc/76/40/65/635764065.db2.gz SEOYULHIZPHDAA-OALUTQOASA-N 1 1 286.463 3.132 20 30 CGEDMO Cc1cccc(C)c1C[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000844362169 635881431 /nfs/dbraw/zinc/88/14/31/635881431.db2.gz SWASKYZHUUDXJT-LJQANCHMSA-N 1 1 294.398 3.341 20 30 CGEDMO CC(C)c1cc([C@H]2CCC[N@H+]([C@H](C)CCC#N)C2)[nH]n1 ZINC000879919206 635883126 /nfs/dbraw/zinc/88/31/26/635883126.db2.gz PHGKIMVBMDESHZ-KGLIPLIRSA-N 1 1 274.412 3.405 20 30 CGEDMO CC(C)c1cc([C@H]2CCC[N@@H+]([C@H](C)CCC#N)C2)n[nH]1 ZINC000879919206 635883130 /nfs/dbraw/zinc/88/31/30/635883130.db2.gz PHGKIMVBMDESHZ-KGLIPLIRSA-N 1 1 274.412 3.405 20 30 CGEDMO CC(C)c1cc([C@H]2CCC[N@H+]([C@H](C)CCC#N)C2)n[nH]1 ZINC000879919206 635883134 /nfs/dbraw/zinc/88/31/34/635883134.db2.gz PHGKIMVBMDESHZ-KGLIPLIRSA-N 1 1 274.412 3.405 20 30 CGEDMO CC(C)O[C@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000844377161 635884924 /nfs/dbraw/zinc/88/49/24/635884924.db2.gz CTAPJSIXKUGRBW-INIZCTEOSA-N 1 1 276.355 3.087 20 30 CGEDMO CC(C)O[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000844377161 635884928 /nfs/dbraw/zinc/88/49/28/635884928.db2.gz CTAPJSIXKUGRBW-INIZCTEOSA-N 1 1 276.355 3.087 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000844399647 635890685 /nfs/dbraw/zinc/89/06/85/635890685.db2.gz FKFJIYLCTVWKPX-CABCVRRESA-N 1 1 294.439 3.025 20 30 CGEDMO N#CCCCC[N@H+]1CC[C@]2(CCc3ccccc32)C1 ZINC000879998203 635893786 /nfs/dbraw/zinc/89/37/86/635893786.db2.gz OBCUGDQSRBEWEZ-QGZVFWFLSA-N 1 1 254.377 3.270 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000844460166 635908535 /nfs/dbraw/zinc/90/85/35/635908535.db2.gz WFJGHWRTTAXRLO-OKILXGFUSA-N 1 1 276.330 3.185 20 30 CGEDMO COc1cc2c(cc1OC)[C@@H](C)[N@@H+](CCCCC#N)CC2 ZINC000880089716 635911234 /nfs/dbraw/zinc/91/12/34/635911234.db2.gz AGGXUIUMBJPXMB-CYBMUJFWSA-N 1 1 288.391 3.317 20 30 CGEDMO C=CC[N@@H+]1CCCSC[C@@H]1c1ccccc1OC ZINC000880172739 635928451 /nfs/dbraw/zinc/92/84/51/635928451.db2.gz BCRJKJWSIKWAEB-CQSZACIVSA-N 1 1 263.406 3.361 20 30 CGEDMO C=C[C@@H](C)O[NH+]=C1CC(C)(C)Oc2ccc(N)cc21 ZINC000844620463 635943455 /nfs/dbraw/zinc/94/34/55/635943455.db2.gz LHGDTNOIAMYWRJ-SNVBAGLBSA-N 1 1 260.337 3.125 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H](CF)C1 ZINC000880294804 635966903 /nfs/dbraw/zinc/96/69/03/635966903.db2.gz MEEHPLNLCLVUKM-CYBMUJFWSA-N 1 1 260.356 3.279 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000880316418 635973540 /nfs/dbraw/zinc/97/35/40/635973540.db2.gz GQPBSCIWTMXNQB-GFCCVEGCSA-N 1 1 287.363 3.143 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000880316418 635973543 /nfs/dbraw/zinc/97/35/43/635973543.db2.gz GQPBSCIWTMXNQB-GFCCVEGCSA-N 1 1 287.363 3.143 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000880578926 636026577 /nfs/dbraw/zinc/02/65/77/636026577.db2.gz UCKSGLWXWKTVFC-GOEBONIOSA-N 1 1 264.413 3.207 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000880579636 636026760 /nfs/dbraw/zinc/02/67/60/636026760.db2.gz XZIGTDCCZLZUNH-MRXNPFEDSA-N 1 1 278.440 3.455 20 30 CGEDMO C=CCCCn1cc(C[NH2+][C@@H]2CCCc3ccccc32)nn1 ZINC000881194544 636083687 /nfs/dbraw/zinc/08/36/87/636083687.db2.gz MYNQLQIGVFVAPM-GOSISDBHSA-N 1 1 296.418 3.412 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000846107882 636144815 /nfs/dbraw/zinc/14/48/15/636144815.db2.gz MBBIVILXQJDJRW-ZDUSSCGKSA-N 1 1 256.340 3.438 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000846991528 636302587 /nfs/dbraw/zinc/30/25/87/636302587.db2.gz IQCUORKNGPLTFT-QWHCGFSZSA-N 1 1 286.297 3.021 20 30 CGEDMO C#C[C@H]1CCC[N@H+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000847018316 636311635 /nfs/dbraw/zinc/31/16/35/636311635.db2.gz JAMYJWGLHCJKGH-OXJNMPFZSA-N 1 1 293.410 3.088 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(Cl)c(OC)c2)C1 ZINC000847019986 636312276 /nfs/dbraw/zinc/31/22/76/636312276.db2.gz ULZCECXYXUJEIT-LBPRGKRZSA-N 1 1 263.768 3.194 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](C[C@@H](OC(C)C)c2ccccc2)C1 ZINC000847019386 636312401 /nfs/dbraw/zinc/31/24/01/636312401.db2.gz POUACTIANYRPKI-SJLPKXTDSA-N 1 1 271.404 3.498 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](C[C@@H](OC)c2ccc(Cl)cc2)C1 ZINC000847020214 636312946 /nfs/dbraw/zinc/31/29/46/636312946.db2.gz XIMKQDFEMRRJHC-CZUORRHYSA-N 1 1 277.795 3.373 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000847023522 636315051 /nfs/dbraw/zinc/31/50/51/636315051.db2.gz NGBSSNRVTRCDNS-CQSZACIVSA-N 1 1 266.344 3.187 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000847023522 636315056 /nfs/dbraw/zinc/31/50/56/636315056.db2.gz NGBSSNRVTRCDNS-CQSZACIVSA-N 1 1 266.344 3.187 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](CCCCOc2ccccc2)C1 ZINC000847024232 636315436 /nfs/dbraw/zinc/31/54/36/636315436.db2.gz HRYZTJIDDQCUDQ-MRXNPFEDSA-N 1 1 257.377 3.191 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000847030230 636318335 /nfs/dbraw/zinc/31/83/35/636318335.db2.gz PIQYQNNVRBRCAE-CYBMUJFWSA-N 1 1 284.334 3.326 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000847030230 636318342 /nfs/dbraw/zinc/31/83/42/636318342.db2.gz PIQYQNNVRBRCAE-CYBMUJFWSA-N 1 1 284.334 3.326 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(-n3nc(C)cc3C)cc2)C1 ZINC000847028526 636319395 /nfs/dbraw/zinc/31/93/95/636319395.db2.gz HJTSXOPWZLZKFQ-KRWDZBQOSA-N 1 1 293.414 3.334 20 30 CGEDMO c1ccc2c(N=NC3CCC[N@@H+]4CCCC[C@H]34)cnnc2c1 ZINC000848406925 636568673 /nfs/dbraw/zinc/56/86/73/636568673.db2.gz RZVKUZCLOYHDAG-QGZVFWFLSA-N 1 1 295.390 3.046 20 30 CGEDMO CC1(C)CCC[C@@H]1NN=C1CCC[N@H+]2CCCC[C@@H]12 ZINC000848410063 636569524 /nfs/dbraw/zinc/56/95/24/636569524.db2.gz HDPFMEJZIVJWHZ-GJZGRUSLSA-N 1 1 263.429 3.159 20 30 CGEDMO C=CCCC[C@H]([NH2+]CCc1n[nH]c(C)n1)c1ccccc1 ZINC000883214447 636589508 /nfs/dbraw/zinc/58/95/08/636589508.db2.gz FWWIXCQLCWXWNI-INIZCTEOSA-N 1 1 284.407 3.343 20 30 CGEDMO C=CCCC[C@H]([NH2+]CCc1nnc(C)[nH]1)c1ccccc1 ZINC000883214447 636589512 /nfs/dbraw/zinc/58/95/12/636589512.db2.gz FWWIXCQLCWXWNI-INIZCTEOSA-N 1 1 284.407 3.343 20 30 CGEDMO C=CC[C@@H]([NH2+][C@H]1CCCn2ccnc21)c1ccncc1 ZINC000848531120 636591607 /nfs/dbraw/zinc/59/16/07/636591607.db2.gz MOORSIDOUIOZIR-CABCVRRESA-N 1 1 268.364 3.020 20 30 CGEDMO CCSc1ccc(C[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000883236361 636605876 /nfs/dbraw/zinc/60/58/76/636605876.db2.gz ZVBIDOPXESVDAG-UHFFFAOYSA-N 1 1 289.429 3.417 20 30 CGEDMO N#CCCCC[C@H]([NH3+])c1nc([C@H]2CCCCS2)no1 ZINC000848625401 636623349 /nfs/dbraw/zinc/62/33/49/636623349.db2.gz SNYARGZWTUPGKS-WDEREUQCSA-N 1 1 280.397 3.112 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(C)cc2-c2cnn(C)c2)C1 ZINC000848924690 636696757 /nfs/dbraw/zinc/69/67/57/636696757.db2.gz YCVIZGDBYLGTHF-MRXNPFEDSA-N 1 1 293.414 3.241 20 30 CGEDMO CC[C@@H]1C[C@@H](C[N@H+]2Cc3ccc(C#N)cc3C2)CCO1 ZINC000848926485 636698588 /nfs/dbraw/zinc/69/85/88/636698588.db2.gz YSSDOIOOJBVEPB-WMLDXEAASA-N 1 1 270.376 3.079 20 30 CGEDMO C=C(C)C[C@H](CO)[NH2+][C@@H](CCc1ccccc1)C(F)F ZINC000883390690 636733748 /nfs/dbraw/zinc/73/37/48/636733748.db2.gz RNNPRDFISIGVEP-CABCVRRESA-N 1 1 283.362 3.170 20 30 CGEDMO Cc1nc(F)ccc1C[NH2+]CC1(C#N)CCCCC1 ZINC000850391168 637044162 /nfs/dbraw/zinc/04/41/62/637044162.db2.gz GVBONKUMBNIDBU-UHFFFAOYSA-N 1 1 261.344 3.093 20 30 CGEDMO C[N@H+](Cc1cccc(Cl)c1)C[C@@H](O)CC1(C#N)CCC1 ZINC000885946950 637325178 /nfs/dbraw/zinc/32/51/78/637325178.db2.gz WCJICRKSRZZPMC-HNNXBMFYSA-N 1 1 292.810 3.217 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H]1C[C@@]12CCOC2 ZINC000885954006 637329667 /nfs/dbraw/zinc/32/96/67/637329667.db2.gz LCTAGOCNOQNHSB-QZTJIDSGSA-N 1 1 284.403 3.197 20 30 CGEDMO C[C@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCC2)CCc2ccccc21 ZINC000886267478 637473657 /nfs/dbraw/zinc/47/36/57/637473657.db2.gz NSAUUTBHBHCVOB-RDJZCZTQSA-N 1 1 298.430 3.093 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1F)[C@@H]1CC[C@@H](OC)C1 ZINC000851734553 637482025 /nfs/dbraw/zinc/48/20/25/637482025.db2.gz UORUTVBDPMVMLF-HUUCEWRRSA-N 1 1 263.356 3.381 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@@H]1CC[C@@H](OC)C1 ZINC000851733271 637482595 /nfs/dbraw/zinc/48/25/95/637482595.db2.gz PPROAUUDORAECT-NVXWUHKLSA-N 1 1 275.392 3.251 20 30 CGEDMO C#CC[C@H]1CC[N@H+]([C@@H](C)c2nnc(-c3cccs3)o2)C1 ZINC000886353738 637509379 /nfs/dbraw/zinc/50/93/79/637509379.db2.gz OIATUUYORORKQW-RYUDHWBXSA-N 1 1 287.388 3.204 20 30 CGEDMO C#CC[C@H]1CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000886364195 637514595 /nfs/dbraw/zinc/51/45/95/637514595.db2.gz ROIOPHARMBFPAD-KBPBESRZSA-N 1 1 272.348 3.309 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H]3C[C@H]32)c(C(F)(F)F)c1 ZINC000851877780 637528484 /nfs/dbraw/zinc/52/84/84/637528484.db2.gz RDACFMZAQQYPQA-GXFFZTMASA-N 1 1 266.266 3.171 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3C[C@H]32)c(C(F)(F)F)c1 ZINC000851877780 637528487 /nfs/dbraw/zinc/52/84/87/637528487.db2.gz RDACFMZAQQYPQA-GXFFZTMASA-N 1 1 266.266 3.171 20 30 CGEDMO C[C@@H]([NH2+]Cc1cc(C2CC2)no1)c1ccc(OCC#N)cc1 ZINC000851900343 637537322 /nfs/dbraw/zinc/53/73/22/637537322.db2.gz SNXRAPXIJAFOFN-GFCCVEGCSA-N 1 1 297.358 3.305 20 30 CGEDMO C#CC[N@@H+](Cc1cccc(F)c1OC(F)F)C1CC1 ZINC000851938173 637554367 /nfs/dbraw/zinc/55/43/67/637554367.db2.gz LBPKMLWMGVXQIL-UHFFFAOYSA-N 1 1 269.266 3.025 20 30 CGEDMO C#CC[N@H+](Cc1cccc(F)c1OC(F)F)C1CC1 ZINC000851938173 637554372 /nfs/dbraw/zinc/55/43/72/637554372.db2.gz LBPKMLWMGVXQIL-UHFFFAOYSA-N 1 1 269.266 3.025 20 30 CGEDMO C#C[C@](C)(CC)[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000852102439 637595996 /nfs/dbraw/zinc/59/59/96/637595996.db2.gz XYNLKHZBRMWBMN-LJQANCHMSA-N 1 1 293.414 3.253 20 30 CGEDMO CCCCCCC[N@@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000852109101 637598603 /nfs/dbraw/zinc/59/86/03/637598603.db2.gz VMCRCXDVQKLCHU-MRXNPFEDSA-N 1 1 252.446 3.375 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC000852109101 637598607 /nfs/dbraw/zinc/59/86/07/637598607.db2.gz VMCRCXDVQKLCHU-MRXNPFEDSA-N 1 1 252.446 3.375 20 30 CGEDMO CCCCCCCC[N@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852296828 637629709 /nfs/dbraw/zinc/62/97/09/637629709.db2.gz BNYHNPWOYJWNHZ-UHFFFAOYSA-N 1 1 264.413 3.217 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cncc3ccccc32)C1 ZINC000852319965 637634347 /nfs/dbraw/zinc/63/43/47/637634347.db2.gz UGPFGMMOIYKUPK-AWEZNQCLSA-N 1 1 265.360 3.360 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC000852410201 637649804 /nfs/dbraw/zinc/64/98/04/637649804.db2.gz JPSKUWNPYSUUEW-XJKSGUPXSA-N 1 1 263.356 3.147 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H](Cc2nc(C)cs2)C1 ZINC000886694559 637660465 /nfs/dbraw/zinc/66/04/65/637660465.db2.gz YFTYSHXYCSMYHC-LSDHHAIUSA-N 1 1 294.464 3.033 20 30 CGEDMO C=CC[N@H+](Cc1nnc(C(C)(C)C)o1)C(C)(C)C ZINC000852553340 637677148 /nfs/dbraw/zinc/67/71/48/637677148.db2.gz OWVGOSZBMNTLSP-UHFFFAOYSA-N 1 1 251.374 3.154 20 30 CGEDMO C=CC[N@@H+](Cc1nnc(C(C)(C)C)o1)C(C)(C)C ZINC000852553340 637677156 /nfs/dbraw/zinc/67/71/56/637677156.db2.gz OWVGOSZBMNTLSP-UHFFFAOYSA-N 1 1 251.374 3.154 20 30 CGEDMO C=C(Br)C[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000852595895 637686051 /nfs/dbraw/zinc/68/60/51/637686051.db2.gz JKCMUBYXKXVCMX-STQMWFEESA-N 1 1 288.229 3.176 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1CC(=O)OC ZINC000852685136 637695433 /nfs/dbraw/zinc/69/54/33/637695433.db2.gz CDCOXAKVLOSDFD-CALCHBBNSA-N 1 1 285.387 3.085 20 30 CGEDMO Clc1ccc(C#CC[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)cc1 ZINC000886815940 637702738 /nfs/dbraw/zinc/70/27/38/637702738.db2.gz LUAULWLQTLZOPS-NVXWUHKLSA-N 1 1 289.806 3.192 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)cc1 ZINC000886822701 637708207 /nfs/dbraw/zinc/70/82/07/637708207.db2.gz UEWRUXGZWGGGKF-FUHWJXTLSA-N 1 1 298.430 3.489 20 30 CGEDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](CC#N)C2)cc1C ZINC000853526022 637861361 /nfs/dbraw/zinc/86/13/61/637861361.db2.gz LUBDDIZWLNUOBS-AWEZNQCLSA-N 1 1 258.365 3.135 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](CN2Cc3ccc(F)cc3C2=O)C1 ZINC000853536392 637863632 /nfs/dbraw/zinc/86/36/32/637863632.db2.gz BRRNNUOTJLWBAY-CYBMUJFWSA-N 1 1 288.366 3.027 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CN2Cc3ccc(F)cc3C2=O)C1 ZINC000853536392 637863638 /nfs/dbraw/zinc/86/36/38/637863638.db2.gz BRRNNUOTJLWBAY-CYBMUJFWSA-N 1 1 288.366 3.027 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cn2nccc2-c2cccnc2)C1 ZINC000853537122 637864228 /nfs/dbraw/zinc/86/42/28/637864228.db2.gz PMNWCFNKCCJOTA-HNNXBMFYSA-N 1 1 282.391 3.191 20 30 CGEDMO C=C(CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1ccccc1 ZINC000925632575 638550218 /nfs/dbraw/zinc/55/02/18/638550218.db2.gz AYKBIUQPXRYPPR-RTBURBONSA-N 1 1 284.447 3.458 20 30 CGEDMO N#CCc1ccc(CN[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1 ZINC000925704160 638571931 /nfs/dbraw/zinc/57/19/31/638571931.db2.gz IMHXOHDGRZOXTM-MOPGFXCFSA-N 1 1 297.446 3.011 20 30 CGEDMO Cc1ccc(O[C@H]2CC[N@@H+](CC(C)(C)CCC#N)C2)nc1 ZINC000858013274 638617989 /nfs/dbraw/zinc/61/79/89/638617989.db2.gz QMEPZHZCRVSVOB-HNNXBMFYSA-N 1 1 287.407 3.173 20 30 CGEDMO N#CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC000926133842 638718293 /nfs/dbraw/zinc/71/82/93/638718293.db2.gz TVWBDBSUMJHMAP-YQQQUEKLSA-N 1 1 297.446 3.465 20 30 CGEDMO C=CCn1cc(C[NH2+][C@H](C)c2c(C)oc3ccccc32)nn1 ZINC000926616801 638791378 /nfs/dbraw/zinc/79/13/78/638791378.db2.gz WMGULWBCXTWYPN-GFCCVEGCSA-N 1 1 296.374 3.370 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CCC1)c1ccnn1CC1CCC1 ZINC000926623617 638791752 /nfs/dbraw/zinc/79/17/52/638791752.db2.gz DHJYFHJVTOBXCX-CYBMUJFWSA-N 1 1 272.396 3.028 20 30 CGEDMO CC[C@H]([NH2+]Cc1ccc(C)o1)c1cccc(C#N)c1O ZINC000926786705 638811668 /nfs/dbraw/zinc/81/16/68/638811668.db2.gz AHYMCALJARBMPS-HNNXBMFYSA-N 1 1 270.332 3.406 20 30 CGEDMO C=CCn1ncc2ccc(N[C@H]3CC[N@H+](CC)C[C@@H]3C)cc21 ZINC000927069779 638838154 /nfs/dbraw/zinc/83/81/54/638838154.db2.gz CFZGQQMEUKWDCS-YOEHRIQHSA-N 1 1 298.434 3.365 20 30 CGEDMO N#Cc1cncc(C[N@@H+]2CCC[C@@H]2c2ccsc2)c1 ZINC000929261734 638913344 /nfs/dbraw/zinc/91/33/44/638913344.db2.gz BMRPYEICACRCLR-OAHLLOKOSA-N 1 1 269.373 3.352 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCC[C@@H]2c2ccsc2)c1 ZINC000929261734 638913346 /nfs/dbraw/zinc/91/33/46/638913346.db2.gz BMRPYEICACRCLR-OAHLLOKOSA-N 1 1 269.373 3.352 20 30 CGEDMO C#CC[N@@H+](Cc1[nH]c(C)nc1C)[C@@H]1CCc2ccccc21 ZINC000929335553 638919630 /nfs/dbraw/zinc/91/96/30/638919630.db2.gz VICLQBZIEFKRIC-GOSISDBHSA-N 1 1 279.387 3.149 20 30 CGEDMO C#CC[N@H+](Cc1[nH]c(C)nc1C)[C@@H]1CCc2ccccc21 ZINC000929335553 638919633 /nfs/dbraw/zinc/91/96/33/638919633.db2.gz VICLQBZIEFKRIC-GOSISDBHSA-N 1 1 279.387 3.149 20 30 CGEDMO COc1ccccc1CC[N@@H+](C)CC1CCC(C#N)CC1 ZINC000929524643 638930605 /nfs/dbraw/zinc/93/06/05/638930605.db2.gz NFMRKBNUHSWPCE-UHFFFAOYSA-N 1 1 286.419 3.499 20 30 CGEDMO C=CC[N@H+](Cc1[nH]nc2c1COCC2)CC1CCCCC1 ZINC000929625167 638935572 /nfs/dbraw/zinc/93/55/72/638935572.db2.gz QDZUAZLEWRANPB-UHFFFAOYSA-N 1 1 289.423 3.051 20 30 CGEDMO Cc1ccccc1C[C@H]1CCC[N@H+]1Cc1cncc(C#N)c1 ZINC000929650064 638937580 /nfs/dbraw/zinc/93/75/80/638937580.db2.gz UHFFJKKCADLYEL-LJQANCHMSA-N 1 1 291.398 3.469 20 30 CGEDMO Cc1ccc([C@@H]2[C@@H](C)CCC[N@H+]2C[C@H](O)CC#N)cc1 ZINC000929687133 638940840 /nfs/dbraw/zinc/94/08/40/638940840.db2.gz COGUGFLGXFSWIM-UAGQMJEPSA-N 1 1 272.392 3.043 20 30 CGEDMO CC[N@@H+](CCC#N)CCCN(C(=O)OC(C)(C)C)C1CC1 ZINC000929774902 638949294 /nfs/dbraw/zinc/94/92/94/638949294.db2.gz GBCAWDPMLNFHFG-UHFFFAOYSA-N 1 1 295.427 3.012 20 30 CGEDMO CC[N@H+](CCC#N)CCCN(C(=O)OC(C)(C)C)C1CC1 ZINC000929774902 638949296 /nfs/dbraw/zinc/94/92/96/638949296.db2.gz GBCAWDPMLNFHFG-UHFFFAOYSA-N 1 1 295.427 3.012 20 30 CGEDMO N#CC1CCC(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000930100687 638974087 /nfs/dbraw/zinc/97/40/87/638974087.db2.gz XDFQZVWBCMERIC-UHFFFAOYSA-N 1 1 299.374 3.283 20 30 CGEDMO C[N@H+]1CCCC12CCN(CCCCC1(C#N)CCC1)CC2 ZINC000930171939 638979156 /nfs/dbraw/zinc/97/91/56/638979156.db2.gz XKKDFADZACRZIG-UHFFFAOYSA-N 1 1 289.467 3.411 20 30 CGEDMO C=CC[N@H+](C[C@H]1CCC[C@@H](C(F)(F)F)O1)C1CC1 ZINC000930175609 638979831 /nfs/dbraw/zinc/97/98/31/638979831.db2.gz NGJIZPQXLWRLBT-NEPJUHHUSA-N 1 1 263.303 3.137 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2c(C)cc(C#N)cc2C)[C@@H](C)C1 ZINC000930324213 638991112 /nfs/dbraw/zinc/99/11/12/638991112.db2.gz QUEALJYRBOJGQJ-HOCLYGCPSA-N 1 1 272.392 3.174 20 30 CGEDMO N#CC1(CCCC[N@@H+]2CC[C@@H](O)C23CCCC3)CCC1 ZINC000930574096 639029155 /nfs/dbraw/zinc/02/91/55/639029155.db2.gz ZPDKEEDTHUEYIQ-OAHLLOKOSA-N 1 1 276.424 3.230 20 30 CGEDMO C#CCCCCCC[N@@H+]1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000930590341 639033248 /nfs/dbraw/zinc/03/32/48/639033248.db2.gz ZGPZGSIZCXCSPS-QGZVFWFLSA-N 1 1 287.451 3.429 20 30 CGEDMO C#CCCCCCC[N@@H+]1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000930590340 639033547 /nfs/dbraw/zinc/03/35/47/639033547.db2.gz ZGPZGSIZCXCSPS-KRWDZBQOSA-N 1 1 287.451 3.429 20 30 CGEDMO C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCCCC1(C#N)CCC1)C2 ZINC000930600825 639035729 /nfs/dbraw/zinc/03/57/29/639035729.db2.gz BOPPQZOENQRUPE-GOSISDBHSA-N 1 1 289.467 3.268 20 30 CGEDMO CN1CC[C@@]2(C1)CCC[N@H+](CCCCC1(C#N)CCC1)C2 ZINC000930600825 639035744 /nfs/dbraw/zinc/03/57/44/639035744.db2.gz BOPPQZOENQRUPE-GOSISDBHSA-N 1 1 289.467 3.268 20 30 CGEDMO CN1CC[C@@]2(C1)CCC[N@@H+](CCCCC1(C#N)CCC1)C2 ZINC000930600825 639035752 /nfs/dbraw/zinc/03/57/52/639035752.db2.gz BOPPQZOENQRUPE-GOSISDBHSA-N 1 1 289.467 3.268 20 30 CGEDMO C[N@@H+](CC1CCC(C#N)CC1)C[C@](C)(O)c1ccccc1 ZINC000930763807 639065369 /nfs/dbraw/zinc/06/53/69/639065369.db2.gz OYFQZNMJRZHJMF-HTWSVDAQSA-N 1 1 286.419 3.156 20 30 CGEDMO CC[N@@H+](CC1CC(OC)C1)[C@H](C)c1ccc(C#N)cc1 ZINC000859089309 639075697 /nfs/dbraw/zinc/07/56/97/639075697.db2.gz BXLYRKUTMBJMGW-BZOOQXSSSA-N 1 1 272.392 3.366 20 30 CGEDMO Cn1cc(C2=CCC[N@@H+](CCCCC3(C#N)CCC3)C2)cn1 ZINC000930959812 639091681 /nfs/dbraw/zinc/09/16/81/639091681.db2.gz CUNYAZMGBIHCED-UHFFFAOYSA-N 1 1 298.434 3.373 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCCC[C@@H]2CC2CCC2)c1 ZINC000931065594 639105482 /nfs/dbraw/zinc/10/54/82/639105482.db2.gz CLINKMIZPOOUJB-QGZVFWFLSA-N 1 1 269.392 3.498 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC1CCSCC1 ZINC000931061674 639105907 /nfs/dbraw/zinc/10/59/07/639105907.db2.gz AWGBIIKZUNYOAP-OKILXGFUSA-N 1 1 267.438 3.082 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](C[C@H]2CCC3(CCCCCC3)O2)C1 ZINC000931062920 639105926 /nfs/dbraw/zinc/10/59/26/639105926.db2.gz NEMACHGXATUVNC-HZPDHXFCSA-N 1 1 276.424 3.494 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](C[C@H]2CCC3(CCCCCC3)O2)C1 ZINC000931062920 639105930 /nfs/dbraw/zinc/10/59/30/639105930.db2.gz NEMACHGXATUVNC-HZPDHXFCSA-N 1 1 276.424 3.494 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](c3c[nH]c4ncccc34)C2)C1 ZINC000931371600 639141824 /nfs/dbraw/zinc/14/18/24/639141824.db2.gz CWHHFWNMFFEKBR-ILXRZTDVSA-N 1 1 294.402 3.435 20 30 CGEDMO CC1(C)[C@H]2[C@H](CCC[N@H+]2CCCCC2(C#N)CCC2)[C@@H]1O ZINC000931380469 639143584 /nfs/dbraw/zinc/14/35/84/639143584.db2.gz SIXZWXGQXAICIR-XHSDSOJGSA-N 1 1 290.451 3.332 20 30 CGEDMO CC[C@@]1(O)CCC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000931475794 639157915 /nfs/dbraw/zinc/15/79/15/639157915.db2.gz MMXOWDFNPVCXRF-MRXNPFEDSA-N 1 1 264.413 3.087 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000931551632 639168440 /nfs/dbraw/zinc/16/84/40/639168440.db2.gz YKXRSNUWNNQKDG-HZPDHXFCSA-N 1 1 286.444 3.360 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000931551633 639169049 /nfs/dbraw/zinc/16/90/49/639169049.db2.gz YKXRSNUWNNQKDG-JKSUJKDBSA-N 1 1 286.444 3.360 20 30 CGEDMO FC(F)(F)CC[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931910920 639226574 /nfs/dbraw/zinc/22/65/74/639226574.db2.gz GYZYYQZOGVAASE-SSDOTTSWSA-N 1 1 279.199 3.305 20 30 CGEDMO CC(C)(C)OC[C@H]1CCC[N@H+]1CCC(C)(C)C#N ZINC000932167506 639284600 /nfs/dbraw/zinc/28/46/00/639284600.db2.gz WAJGATYHDUXHLL-CYBMUJFWSA-N 1 1 252.402 3.206 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000932199663 639294956 /nfs/dbraw/zinc/29/49/56/639294956.db2.gz ZGBQNCIMGQRVMN-QWHCGFSZSA-N 1 1 250.411 3.362 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000932203643 639296445 /nfs/dbraw/zinc/29/64/45/639296445.db2.gz KZQOWBOWBHHTEI-CYBMUJFWSA-N 1 1 250.411 3.364 20 30 CGEDMO C#CC[N@@H+](CC(=O)Nc1c(C)cc(C)cc1C)C(C)(C)C ZINC000932465119 639337942 /nfs/dbraw/zinc/33/79/42/639337942.db2.gz TZPJMCCXDXYPAX-UHFFFAOYSA-N 1 1 286.419 3.284 20 30 CGEDMO C#CC[N@H+](CC(=O)Nc1c(C)cc(C)cc1C)C(C)(C)C ZINC000932465119 639337946 /nfs/dbraw/zinc/33/79/46/639337946.db2.gz TZPJMCCXDXYPAX-UHFFFAOYSA-N 1 1 286.419 3.284 20 30 CGEDMO N#Cc1c(F)cccc1C[NH+]1CCC(F)(C2CC2)CC1 ZINC000932624322 639368433 /nfs/dbraw/zinc/36/84/33/639368433.db2.gz KBYWJOXLCVDVMA-UHFFFAOYSA-N 1 1 276.330 3.411 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000932697569 639375052 /nfs/dbraw/zinc/37/50/52/639375052.db2.gz NJDONEOHFBKLCT-ZIAGYGMSSA-N 1 1 282.428 3.188 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](C3CCOCC3)C2)cc1 ZINC000933080780 639413090 /nfs/dbraw/zinc/41/30/90/639413090.db2.gz DUUXGOYXCYSKRO-SFHVURJKSA-N 1 1 284.403 3.197 20 30 CGEDMO C[C@]12C[N@@H+](CCCSCC#N)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000933708195 639480556 /nfs/dbraw/zinc/48/05/56/639480556.db2.gz DJTSMWQZSADOAX-LJISPDSOSA-N 1 1 264.438 3.001 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1ccc(C(=O)OC)c2cccnc12 ZINC000934463064 639611810 /nfs/dbraw/zinc/61/18/10/639611810.db2.gz UALPTHOWHGZOJG-AWEZNQCLSA-N 1 1 296.370 3.172 20 30 CGEDMO C#CCCCCCC[N@H+]1CCOC[C@H]1CC1CCOCC1 ZINC000934634271 639647309 /nfs/dbraw/zinc/64/73/09/639647309.db2.gz FIPAOKZOTFXWGC-GOSISDBHSA-N 1 1 293.451 3.088 20 30 CGEDMO C=CCCC[N@@H+](CC)Cc1nnc(C2CC2)n1C1CC1 ZINC000934646487 639648169 /nfs/dbraw/zinc/64/81/69/639648169.db2.gz LIIDYAABAXXQID-UHFFFAOYSA-N 1 1 274.412 3.279 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1nnc(C2CC2)n1C1CC1 ZINC000934646487 639648178 /nfs/dbraw/zinc/64/81/78/639648178.db2.gz LIIDYAABAXXQID-UHFFFAOYSA-N 1 1 274.412 3.279 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCC[C@H]([C@H]3CCOC3)C2)s1 ZINC000934834301 639684818 /nfs/dbraw/zinc/68/48/18/639684818.db2.gz PTNVKDZIHGTXMV-KBPBESRZSA-N 1 1 290.432 3.258 20 30 CGEDMO C#CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCCC1 ZINC000155883145 639956177 /nfs/dbraw/zinc/95/61/77/639956177.db2.gz JTXIPVUWPVIMGW-UHFFFAOYSA-N 1 1 299.330 3.114 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000077483255 640242647 /nfs/dbraw/zinc/24/26/47/640242647.db2.gz NMGGYJCRFKCZPH-GFCCVEGCSA-N 1 1 265.740 3.305 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000077483255 640242653 /nfs/dbraw/zinc/24/26/53/640242653.db2.gz NMGGYJCRFKCZPH-GFCCVEGCSA-N 1 1 265.740 3.305 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+](C)Cc1ccccc1O ZINC000091974491 640727392 /nfs/dbraw/zinc/72/73/92/640727392.db2.gz UKKPQEMOFQUWNE-UHFFFAOYSA-N 1 1 281.355 3.036 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)cc1 ZINC000092540626 640739188 /nfs/dbraw/zinc/73/91/88/640739188.db2.gz XOOZTLRHJIKBLW-MELADBBJSA-N 1 1 290.432 3.303 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CCO[C@H](CCC)C2)cc1 ZINC000093508773 640774089 /nfs/dbraw/zinc/77/40/89/640774089.db2.gz XUWXLWBFSRDXKC-GOSISDBHSA-N 1 1 287.403 3.090 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CCO[C@H](CCC)C2)cc1 ZINC000093508773 640774092 /nfs/dbraw/zinc/77/40/92/640774092.db2.gz XUWXLWBFSRDXKC-GOSISDBHSA-N 1 1 287.403 3.090 20 30 CGEDMO C#CC[N@H+](CCSCC)Cc1ccc(F)cc1 ZINC000303787701 640842775 /nfs/dbraw/zinc/84/27/75/640842775.db2.gz PQCPUKQMFYLHIU-UHFFFAOYSA-N 1 1 251.370 3.014 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2c(C)cccc2C)C1 ZINC001008633531 640953732 /nfs/dbraw/zinc/95/37/32/640953732.db2.gz URZYECRFTUYRHD-INIZCTEOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C3CC3)s2)C1 ZINC001009197544 640955869 /nfs/dbraw/zinc/95/58/69/640955869.db2.gz VMHULTGHYZTHNR-ZDUSSCGKSA-N 1 1 290.432 3.006 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C3CC3)s2)C1 ZINC001009197544 640955876 /nfs/dbraw/zinc/95/58/76/640955876.db2.gz VMHULTGHYZTHNR-ZDUSSCGKSA-N 1 1 290.432 3.006 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001009105732 640956833 /nfs/dbraw/zinc/95/68/33/640956833.db2.gz SLQBBIGJALOLCC-CVEARBPZSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2coc3ccccc23)C1 ZINC001009723437 640962674 /nfs/dbraw/zinc/96/26/74/640962674.db2.gz AIALOJKBVUCVPV-AWEZNQCLSA-N 1 1 298.386 3.203 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001009748457 640963741 /nfs/dbraw/zinc/96/37/41/640963741.db2.gz HBRUPEQOMPGERP-AWEZNQCLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2coc3c2cccc3C)C1 ZINC001014735490 640975068 /nfs/dbraw/zinc/97/50/68/640975068.db2.gz GIGONUQFRVDWGW-AWEZNQCLSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C(C)C)C1 ZINC001014646026 640975385 /nfs/dbraw/zinc/97/53/85/640975385.db2.gz AJELYBMAPGRBBV-OAHLLOKOSA-N 1 1 286.419 3.190 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2(C3CCC3)CCC2)C1 ZINC001015422044 640979725 /nfs/dbraw/zinc/97/97/25/640979725.db2.gz KTJYXONPHZSEIK-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](CC(CC)CC)C2)CC1 ZINC001015659927 640984336 /nfs/dbraw/zinc/98/43/36/640984336.db2.gz NVJGXTRDVAOYAK-QGZVFWFLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)c2cc3cc(C)c(C)cc3o2)C1 ZINC001016007814 640989581 /nfs/dbraw/zinc/98/95/81/640989581.db2.gz XZGXMHOMSSNXMM-HNNXBMFYSA-N 1 1 298.386 3.040 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cc3cc(C)c(C)cc3o2)C1 ZINC001016007814 640989586 /nfs/dbraw/zinc/98/95/86/640989586.db2.gz XZGXMHOMSSNXMM-HNNXBMFYSA-N 1 1 298.386 3.040 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CCCCC1 ZINC001017330408 641011800 /nfs/dbraw/zinc/01/18/00/641011800.db2.gz FHZYYGDTUHTARY-CALCHBBNSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1=CCCCCC1 ZINC001017500705 641013294 /nfs/dbraw/zinc/01/32/94/641013294.db2.gz FTTJDYACZYGPAO-CALCHBBNSA-N 1 1 288.435 3.128 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(CC)CCC1 ZINC001017823217 641017513 /nfs/dbraw/zinc/01/75/13/641017513.db2.gz UIGHUOYJQMEQRV-IYBDPMFKSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C1CCCC1 ZINC001018165060 641020501 /nfs/dbraw/zinc/02/05/01/641020501.db2.gz HKLDTKAEJZSNKU-OIISXLGYSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)CCCC(C)C ZINC001155400881 805578395 /nfs/dbraw/zinc/57/83/95/805578395.db2.gz MMZHODSMYRQOMU-OAHLLOKOSA-N 1 1 268.445 3.215 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1cc(F)cc(Cl)c1 ZINC001155418596 805580631 /nfs/dbraw/zinc/58/06/31/805580631.db2.gz MGHALHWSNGKHQO-LLVKDONJSA-N 1 1 298.789 3.105 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)C[C@@H](F)CC ZINC001155490230 805586551 /nfs/dbraw/zinc/58/65/51/805586551.db2.gz ZQTBUPCGXZGZPL-KGLIPLIRSA-N 1 1 286.435 3.163 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)CC1CCCCCC1 ZINC001155509821 805587329 /nfs/dbraw/zinc/58/73/29/805587329.db2.gz NTGDCMXJFBVANA-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)CC1CCCCCC1 ZINC001155509805 805587953 /nfs/dbraw/zinc/58/79/53/805587953.db2.gz NAKITKRTRXPNHR-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CNc1nc(N(C)Cc2ccc(OC)cc2)cc[nH+]1 ZINC001155662074 805602306 /nfs/dbraw/zinc/60/23/06/805602306.db2.gz SUTXVFOQGKYAJT-UHFFFAOYSA-N 1 1 298.390 3.110 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)CCCCCC ZINC001155924263 805626411 /nfs/dbraw/zinc/62/64/11/805626411.db2.gz FMTBJDQTLPITOU-IAGOWNOFSA-N 1 1 294.483 3.443 20 30 CGEDMO N#Cc1ccccc1-c1ccc(CC[NH+]2CCOCC2)cc1 ZINC001250580431 805706231 /nfs/dbraw/zinc/70/62/31/805706231.db2.gz YGJNMKDGVLIXKO-UHFFFAOYSA-N 1 1 292.382 3.100 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc2ccccc2c1 ZINC001156573557 805715377 /nfs/dbraw/zinc/71/53/77/805715377.db2.gz JNPJYFIYMAIGCK-OAHLLOKOSA-N 1 1 296.414 3.466 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)[C@@]1(C)CCC(C)=C(C)C1 ZINC001156680119 805726718 /nfs/dbraw/zinc/72/67/18/805726718.db2.gz SVSJPBMAZNZACH-SFHVURJKSA-N 1 1 292.467 3.479 20 30 CGEDMO CCCc1cc(NCc2ccccc2C#N)nc(C)[nH+]1 ZINC001156787085 805735883 /nfs/dbraw/zinc/73/58/83/805735883.db2.gz WEMALZPJWAWEHT-UHFFFAOYSA-N 1 1 266.348 3.221 20 30 CGEDMO Cc1c[nH+]c(N[C@H]2CC[C@H](C#N)CC2)nc1NC(C)C ZINC001157049604 805769315 /nfs/dbraw/zinc/76/93/15/805769315.db2.gz GONHQSXMCOXCFR-JOCQHMNTSA-N 1 1 273.384 3.100 20 30 CGEDMO C=CCOC(=O)[C@@H](Nc1[nH+]ccc2[nH]ccc21)[C@@H](C)CC ZINC001157182030 805787495 /nfs/dbraw/zinc/78/74/95/805787495.db2.gz ORFLKNZNIDBBQX-FZMZJTMJSA-N 1 1 287.363 3.119 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCCCN1C(=O)CSC ZINC001157493856 805823350 /nfs/dbraw/zinc/82/33/50/805823350.db2.gz UHZZDURVVGTYBA-HUUCEWRRSA-N 1 1 298.496 3.017 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)c1cccs1 ZINC001157477489 805818908 /nfs/dbraw/zinc/81/89/08/805818908.db2.gz XQCRMGLSWPYXAM-CQSZACIVSA-N 1 1 292.448 3.251 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccccc1C ZINC001157470685 805818963 /nfs/dbraw/zinc/81/89/63/805818963.db2.gz KQMRMJFOTWGCBA-MRXNPFEDSA-N 1 1 286.419 3.108 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C1CCCCC1 ZINC001157476970 805819219 /nfs/dbraw/zinc/81/92/19/805819219.db2.gz MWHZFQVFJZWKLJ-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)CCC(C)C ZINC001157509960 805825566 /nfs/dbraw/zinc/82/55/66/805825566.db2.gz BZHSTFDQKYVBPM-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1oc(C)cc1C ZINC001157774716 805868120 /nfs/dbraw/zinc/86/81/20/805868120.db2.gz CYSUYGSASHEZFO-OAHLLOKOSA-N 1 1 290.407 3.009 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)C1=CCCC1 ZINC001157797013 805873132 /nfs/dbraw/zinc/87/31/32/805873132.db2.gz PEBUQMAUZFXNBZ-OAHLLOKOSA-N 1 1 296.842 3.162 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C1=CCCC1 ZINC001157797013 805873140 /nfs/dbraw/zinc/87/31/40/805873140.db2.gz PEBUQMAUZFXNBZ-OAHLLOKOSA-N 1 1 296.842 3.162 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](CC)SC ZINC001157807050 805876541 /nfs/dbraw/zinc/87/65/41/805876541.db2.gz LNWRCBYOLXBEHH-HUUCEWRRSA-N 1 1 298.496 3.017 20 30 CGEDMO C=CCN(c1nc(NC2CC2)cc[nH+]1)C1CCCCC1 ZINC001157848309 805887684 /nfs/dbraw/zinc/88/76/84/805887684.db2.gz TVGKDKOKYZBCCR-UHFFFAOYSA-N 1 1 272.396 3.376 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)CCCC ZINC001157903702 805901235 /nfs/dbraw/zinc/90/12/35/805901235.db2.gz XRUADVIOTOHADL-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCF ZINC001158000274 805912127 /nfs/dbraw/zinc/91/21/27/805912127.db2.gz ZYUXDJZQEPNCSV-OAHLLOKOSA-N 1 1 298.446 3.261 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCC1(C)CC1 ZINC001158689784 805986818 /nfs/dbraw/zinc/98/68/18/805986818.db2.gz SEPHPLHDAUNYMA-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO Cc1c[nH+]c(NC23CCC(C#N)(CC2)CC3)nc1NC1CC1 ZINC001158783073 806001332 /nfs/dbraw/zinc/00/13/32/806001332.db2.gz CAVCJLAFVCULAB-UHFFFAOYSA-N 1 1 297.406 3.388 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCCC(=O)[C@H](C)C1 ZINC001252123619 806011764 /nfs/dbraw/zinc/01/17/64/806011764.db2.gz KGDSOVQIIKPYLF-HZPDHXFCSA-N 1 1 283.456 3.399 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCCC(=O)CC1 ZINC001252126761 806012593 /nfs/dbraw/zinc/01/25/93/806012593.db2.gz SKCAHVQJBFNPOQ-MRXNPFEDSA-N 1 1 269.429 3.153 20 30 CGEDMO CCCCCCC[N@@H+]1CC=C(CCNC(C)=O)CC1 ZINC001159021987 806034419 /nfs/dbraw/zinc/03/44/19/806034419.db2.gz DERGNBXQQKUNRZ-UHFFFAOYSA-N 1 1 266.429 3.115 20 30 CGEDMO C=CCOC[C@H](O)C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC001252464794 806048758 /nfs/dbraw/zinc/04/87/58/806048758.db2.gz AFNIJXGTSJTOLB-CVEARBPZSA-N 1 1 295.810 3.040 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC001252557103 806063350 /nfs/dbraw/zinc/06/33/50/806063350.db2.gz HEONFMAMYHYKIW-DOTOQJQBSA-N 1 1 277.383 3.017 20 30 CGEDMO C=C[C@](C)(O)C[N@@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC001252555581 806063752 /nfs/dbraw/zinc/06/37/52/806063752.db2.gz YDTASSDJEJNKFV-ZDUSSCGKSA-N 1 1 273.298 3.074 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC001252558816 806065810 /nfs/dbraw/zinc/06/58/10/806065810.db2.gz OHYPXYZOQSARPS-CQSZACIVSA-N 1 1 285.309 3.001 20 30 CGEDMO C=C[C@](C)(O)C[N@@H+](CC)Cc1ccc(Cl)cc1 ZINC001252560978 806066916 /nfs/dbraw/zinc/06/69/16/806066916.db2.gz WZMKBYFJANDPIT-AWEZNQCLSA-N 1 1 253.773 3.099 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCc2ccc(C(F)(F)F)cc2C1 ZINC001252599977 806081458 /nfs/dbraw/zinc/08/14/58/806081458.db2.gz RTPKWBVVWYUAMO-HNNXBMFYSA-N 1 1 299.336 3.391 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)C[C@H](C)C(C)C)CC1 ZINC001159549280 806120880 /nfs/dbraw/zinc/12/08/80/806120880.db2.gz GSJRMGNPLBWAHB-INIZCTEOSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CCNC(=O)/C=C\C2CC2)CC1 ZINC001159686312 806151105 /nfs/dbraw/zinc/15/11/05/806151105.db2.gz MRNVTEUEHPWZBT-FPLPWBNLSA-N 1 1 288.435 3.057 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)C=C(CC)CC)CC1 ZINC001159826953 806181861 /nfs/dbraw/zinc/18/18/61/806181861.db2.gz CGJJFRWASCYMBM-UHFFFAOYSA-N 1 1 290.451 3.447 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCC[C@H](C#N)CC1 ZINC001253241607 806191703 /nfs/dbraw/zinc/19/17/03/806191703.db2.gz YGUYDFNYILEZRX-DLBZAZTESA-N 1 1 278.440 3.500 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001253242761 806192166 /nfs/dbraw/zinc/19/21/66/806192166.db2.gz NNXYVBJYFRECQW-PMPSAXMXSA-N 1 1 251.414 3.358 20 30 CGEDMO C=C(Cl)C[N@H+]1CC=C(CCNC(=O)/C=C(\C)CC)CC1 ZINC001160030356 806216917 /nfs/dbraw/zinc/21/69/17/806216917.db2.gz QLZSAKWZBCZPBB-ACCUITESSA-N 1 1 296.842 3.234 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)/C=C(\C)CC)CC1 ZINC001160030356 806216925 /nfs/dbraw/zinc/21/69/25/806216925.db2.gz QLZSAKWZBCZPBB-ACCUITESSA-N 1 1 296.842 3.234 20 30 CGEDMO C=C[C@H](O)C[N@@H+]1CC[C@H](c2ccc(OC(C)(C)C)cc2)C1 ZINC001253590584 806267030 /nfs/dbraw/zinc/26/70/30/806267030.db2.gz WMOSIOVZMIFZAY-HOTGVXAUSA-N 1 1 289.419 3.200 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC=C(CCNC(=O)[C@H]2C[C@@H]2C)CC1 ZINC001160909252 806319139 /nfs/dbraw/zinc/31/91/39/806319139.db2.gz DBSJNVIAOQFZHJ-UXLLHSPISA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1nc(C)nc2sccc21 ZINC001160952010 806325983 /nfs/dbraw/zinc/32/59/83/806325983.db2.gz PBWVZTLLSSVYDG-LBPRGKRZSA-N 1 1 288.420 3.062 20 30 CGEDMO CC[N@@H+](Cc1ccc(N2CCCC2)cc1)C[C@H](C)C#N ZINC001253990458 806326617 /nfs/dbraw/zinc/32/66/17/806326617.db2.gz SVIZBQQUFXZNDJ-OAHLLOKOSA-N 1 1 271.408 3.268 20 30 CGEDMO CC[N@H+](Cc1ccc(N2CCCC2)cc1)C[C@H](C)C#N ZINC001253990458 806326628 /nfs/dbraw/zinc/32/66/28/806326628.db2.gz SVIZBQQUFXZNDJ-OAHLLOKOSA-N 1 1 271.408 3.268 20 30 CGEDMO C#CCOc1ccccc1C[N@H+](C)[C@H]1CC[C@H](SC)C1 ZINC001254018736 806330861 /nfs/dbraw/zinc/33/08/61/806330861.db2.gz OTCCHCVHGMSTSX-HOTGVXAUSA-N 1 1 289.444 3.415 20 30 CGEDMO COc1cc(NCc2ncc(C#N)s2)[nH+]c2ccccc21 ZINC001161002424 806335175 /nfs/dbraw/zinc/33/51/75/806335175.db2.gz BAAJLKHKXAZFHX-UHFFFAOYSA-N 1 1 296.355 3.184 20 30 CGEDMO C=CCCCC(=O)NCCC1=CC[N@@H+](CC2CCC2)CC1 ZINC001161056914 806344136 /nfs/dbraw/zinc/34/41/36/806344136.db2.gz UHIMXIFVKSATIM-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CCNC(=O)C[C@H]2C[C@@H]2C)CC1 ZINC001161111957 806349686 /nfs/dbraw/zinc/34/96/86/806349686.db2.gz BYSXIBONGSNTSZ-DOTOQJQBSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCCC1=CC[N@@H+](CCCF)CC1 ZINC001161116723 806351526 /nfs/dbraw/zinc/35/15/26/806351526.db2.gz PQXRUIQBQDHNTC-KRWDZBQOSA-N 1 1 296.430 3.087 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC001161155530 806354267 /nfs/dbraw/zinc/35/42/67/806354267.db2.gz OHHCHHBGJUAUGF-MRXNPFEDSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@H](C)C(C)C)CC1 ZINC001161375941 806372760 /nfs/dbraw/zinc/37/27/60/806372760.db2.gz FQUBKUFOYPBEHW-MRXNPFEDSA-N 1 1 292.467 3.383 20 30 CGEDMO N#C[C@@H]1CCCC[N@@H+]1C1CCc2ccccc2CC1 ZINC001254461680 806409958 /nfs/dbraw/zinc/40/99/58/806409958.db2.gz KYVPPTSCQSJRCB-KRWDZBQOSA-N 1 1 254.377 3.312 20 30 CGEDMO N#C[C@@H]1CCCC[N@H+]1C1CCc2ccccc2CC1 ZINC001254461680 806409962 /nfs/dbraw/zinc/40/99/62/806409962.db2.gz KYVPPTSCQSJRCB-KRWDZBQOSA-N 1 1 254.377 3.312 20 30 CGEDMO C=CCOc1ccccc1[C@H](C)N[C@@H]1CCC[N@@H+](C)CC1 ZINC001254507259 806427376 /nfs/dbraw/zinc/42/73/76/806427376.db2.gz AFBLEWHWINYXHG-JKSUJKDBSA-N 1 1 288.435 3.386 20 30 CGEDMO C=CCN(Cc1ccccc1)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254525085 806439521 /nfs/dbraw/zinc/43/95/21/806439521.db2.gz FXUBRYQEOFFDRC-QGZVFWFLSA-N 1 1 258.409 3.159 20 30 CGEDMO C=CCN(Cc1ccccc1)[C@@H]1CCC[N@H+](C)CC1 ZINC001254525085 806439525 /nfs/dbraw/zinc/43/95/25/806439525.db2.gz FXUBRYQEOFFDRC-QGZVFWFLSA-N 1 1 258.409 3.159 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)[C@@H]1CCCN(C)CC1 ZINC001254525085 806439527 /nfs/dbraw/zinc/43/95/27/806439527.db2.gz FXUBRYQEOFFDRC-QGZVFWFLSA-N 1 1 258.409 3.159 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C)CC1 ZINC001254525085 806439530 /nfs/dbraw/zinc/43/95/30/806439530.db2.gz FXUBRYQEOFFDRC-QGZVFWFLSA-N 1 1 258.409 3.159 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([NH2+]Cc2c(F)cccc2Br)C1 ZINC001254658375 806477797 /nfs/dbraw/zinc/47/77/97/806477797.db2.gz VHMWYEWVXDUNSO-NXEZZACHSA-N 1 1 297.171 3.370 20 30 CGEDMO C[N@@H+]([C@@H]1CC[C@H](C#N)C1)C1CCN(Cc2ccccc2)CC1 ZINC001254661109 806478180 /nfs/dbraw/zinc/47/81/80/806478180.db2.gz PAGXMPCWDSKJCK-PKOBYXMFSA-N 1 1 297.446 3.275 20 30 CGEDMO CN(CCC#N)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255135456 806551230 /nfs/dbraw/zinc/55/12/30/806551230.db2.gz BLJYPDWPRJRKFJ-BCDXTJNWSA-N 1 1 283.419 3.027 20 30 CGEDMO CC[C@H](CC#N)[NH+]1CCC2(CC1)OCc1ccccc12 ZINC001255171900 806565265 /nfs/dbraw/zinc/56/52/65/806565265.db2.gz DJVPTHWGFQPMOV-OAHLLOKOSA-N 1 1 270.376 3.200 20 30 CGEDMO CC[C@H](CC#N)[NH+]1CCC(Oc2ccccc2C#N)CC1 ZINC001255173460 806566600 /nfs/dbraw/zinc/56/66/00/806566600.db2.gz AQWDHJDVNUFQKQ-OAHLLOKOSA-N 1 1 283.375 3.094 20 30 CGEDMO C=CC[N@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001255244486 806583235 /nfs/dbraw/zinc/58/32/35/806583235.db2.gz MCSLXQZEORWKEO-WDNDVIMCSA-N 1 1 280.412 3.035 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCCC[C@H]2CC)cc1OC ZINC000077009558 798926228 /nfs/dbraw/zinc/92/62/28/798926228.db2.gz KCNOAVXXXVOAGN-MRXNPFEDSA-N 1 1 287.403 3.472 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(Br)cc1N ZINC000086705995 798945973 /nfs/dbraw/zinc/94/59/73/798945973.db2.gz JESQCOUKKWKYRF-UHFFFAOYSA-N 1 1 283.213 3.429 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1 ZINC000093504946 798965354 /nfs/dbraw/zinc/96/53/54/798965354.db2.gz YBEBCODDXBBJOV-SJLPKXTDSA-N 1 1 287.403 3.252 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+]([C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001255718676 806716541 /nfs/dbraw/zinc/71/65/41/806716541.db2.gz VVUNXTPKRFINOQ-TUAOUCFPSA-N 1 1 260.303 3.343 20 30 CGEDMO N#C[C@@H]1CCC[N@H+]([C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001255718676 806716546 /nfs/dbraw/zinc/71/65/46/806716546.db2.gz VVUNXTPKRFINOQ-TUAOUCFPSA-N 1 1 260.303 3.343 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](Nc2cc(Cl)cc(C#N)n2)[C@@H](C)C1 ZINC001163362285 806747215 /nfs/dbraw/zinc/74/72/15/806747215.db2.gz MFMGMXLYZJIUMD-FZMZJTMJSA-N 1 1 292.814 3.137 20 30 CGEDMO C#C[C@@H](C)[NH2+]Cc1cc(Cl)c(OC)cc1Cl ZINC000390455834 799471080 /nfs/dbraw/zinc/47/10/80/799471080.db2.gz CUDMZAVMHVTAIA-MRVPVSSYSA-N 1 1 258.148 3.113 20 30 CGEDMO CC[C@@H](CC#N)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000390714569 799472693 /nfs/dbraw/zinc/47/26/93/799472693.db2.gz BTLNTBLQTYEVEH-ROUUACIJSA-N 1 1 285.435 3.180 20 30 CGEDMO N#Cc1ccc(OCCC[N@H+]2CC[C@@H](C3CC3)C2)cc1 ZINC000400091423 799544220 /nfs/dbraw/zinc/54/42/20/799544220.db2.gz UPHWVFNNRVBASB-MRXNPFEDSA-N 1 1 270.376 3.059 20 30 CGEDMO C[N@@H+](C[C@@H](O)c1cccc(C#N)c1)CC1CCCCC1 ZINC000402292823 799561000 /nfs/dbraw/zinc/56/10/00/799561000.db2.gz YVMUZCITWADCLM-QGZVFWFLSA-N 1 1 272.392 3.104 20 30 CGEDMO CC1(C)CCC[N@@H+](C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC000402209113 799561296 /nfs/dbraw/zinc/56/12/96/799561296.db2.gz LUVZNOMZXJGOBA-MRXNPFEDSA-N 1 1 272.392 3.104 20 30 CGEDMO COc1cc(C[NH2+]CCC#N)c(-c2ccccc2)cc1OC ZINC000425956413 799603104 /nfs/dbraw/zinc/60/31/04/799603104.db2.gz DAWPIWZRKWNNRQ-UHFFFAOYSA-N 1 1 296.370 3.374 20 30 CGEDMO C[N@H+](CCON=Cc1cccs1)Cc1ccc(F)cc1 ZINC000588514393 799705039 /nfs/dbraw/zinc/70/50/39/799705039.db2.gz OCDJIUQJSRJXRY-UHFFFAOYSA-N 1 1 292.379 3.370 20 30 CGEDMO C[N@@H+](CCON=Cc1cccs1)Cc1ccc(F)cc1 ZINC000588514393 799705045 /nfs/dbraw/zinc/70/50/45/799705045.db2.gz OCDJIUQJSRJXRY-UHFFFAOYSA-N 1 1 292.379 3.370 20 30 CGEDMO C#CCCCCCN1CCC([NH+]2CCCCC2)CC1 ZINC000686682072 799735902 /nfs/dbraw/zinc/73/59/02/799735902.db2.gz IBKCRLKAEDDZMN-UHFFFAOYSA-N 1 1 262.441 3.130 20 30 CGEDMO CC(C)[NH+](CCN[C@@H](C)CC(C)(C)C#N)C(C)C ZINC000695790115 799834722 /nfs/dbraw/zinc/83/47/22/799834722.db2.gz HJETZKBJJDRQTE-AWEZNQCLSA-N 1 1 253.434 3.023 20 30 CGEDMO C[C@@H]([NH2+][C@H](C)c1ccc(OCC#N)cc1)c1cscn1 ZINC000697880642 799850554 /nfs/dbraw/zinc/85/05/54/799850554.db2.gz BFKZZMUBAZKPAV-VXGBXAGGSA-N 1 1 287.388 3.457 20 30 CGEDMO C=CCOC(=O)N[C@@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC001255894426 806787480 /nfs/dbraw/zinc/78/74/80/806787480.db2.gz SGBFZQJMLFKAJI-CQSZACIVSA-N 1 1 280.412 3.086 20 30 CGEDMO C=CC[C@@H]([NH2+][C@H](C)CC[C@H](C)CCC)C(=O)OC ZINC001257472110 807172854 /nfs/dbraw/zinc/17/28/54/807172854.db2.gz QOZXHYFFDFNPJQ-MGPQQGTHSA-N 1 1 255.402 3.299 20 30 CGEDMO C=C(Cl)CN[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716718117 800178986 /nfs/dbraw/zinc/17/89/86/800178986.db2.gz MZUMFWXNWFPPCS-BBWFWOEESA-N 1 1 290.838 3.382 20 30 CGEDMO C#CC[C@H](COC)[NH2+]Cc1cc(Cl)sc1Cl ZINC000716958453 800188088 /nfs/dbraw/zinc/18/80/88/800188088.db2.gz RLKCHMYLBMDUBO-SECBINFHSA-N 1 1 278.204 3.183 20 30 CGEDMO C=C(Br)C[N@H+]1CCCSC[C@@H]1C1CC1 ZINC000725489176 800375099 /nfs/dbraw/zinc/37/50/99/800375099.db2.gz JYLNBFPFWDYADY-LLVKDONJSA-N 1 1 276.243 3.113 20 30 CGEDMO C=C(Br)C[N@H+](C)C1CCC(F)(F)CC1 ZINC000725469548 800375785 /nfs/dbraw/zinc/37/57/85/800375785.db2.gz FHLMRJFVIABKOZ-UHFFFAOYSA-N 1 1 268.145 3.405 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000809546954 800444539 /nfs/dbraw/zinc/44/45/39/800444539.db2.gz GHHANNDKHCCPRS-SFHVURJKSA-N 1 1 262.356 3.400 20 30 CGEDMO C#CC[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000932388709 800664561 /nfs/dbraw/zinc/66/45/61/800664561.db2.gz SZRVOBDEDPRZOB-UHFFFAOYSA-N 1 1 299.330 3.093 20 30 CGEDMO C#CC[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000932388709 800664564 /nfs/dbraw/zinc/66/45/64/800664564.db2.gz SZRVOBDEDPRZOB-UHFFFAOYSA-N 1 1 299.330 3.093 20 30 CGEDMO CO[C@@H](CC(C)C)C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933770870 800675808 /nfs/dbraw/zinc/67/58/08/800675808.db2.gz NSVGKEDQNXGRPE-ZDUSSCGKSA-N 1 1 266.410 3.113 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)c2cc(C)ccc2C)CC1 ZINC001001406012 800697118 /nfs/dbraw/zinc/69/71/18/800697118.db2.gz XSZPOLOOHQXXKN-UHFFFAOYSA-N 1 1 298.430 3.241 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2C)C1 ZINC001023204942 800706800 /nfs/dbraw/zinc/70/68/00/800706800.db2.gz GRSTZODCEQNARL-MRXNPFEDSA-N 1 1 286.419 3.013 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)c2sccc2C)C1 ZINC001023204137 800707013 /nfs/dbraw/zinc/70/70/13/800707013.db2.gz IWHNNSNAGPNDTJ-AWEZNQCLSA-N 1 1 292.448 3.074 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC2(C)C)C1 ZINC001023544427 800711224 /nfs/dbraw/zinc/71/12/24/800711224.db2.gz HQDNNSFNZXSNOC-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)c2occc2C(C)C)C1 ZINC001023555603 800712152 /nfs/dbraw/zinc/71/21/52/800712152.db2.gz XSMUJGHTSOVMJD-CQSZACIVSA-N 1 1 290.407 3.031 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccsc2Cl)C1 ZINC001023630665 800713851 /nfs/dbraw/zinc/71/38/51/800713851.db2.gz LFMFOIFJYFPJKR-NSHDSACASA-N 1 1 298.839 3.029 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](CNC(=O)c2coc3ccccc23)C1 ZINC001023775708 800715615 /nfs/dbraw/zinc/71/56/15/800715615.db2.gz FGDKONDFTNKNBR-CQSZACIVSA-N 1 1 298.386 3.061 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1sccc1C ZINC001024295400 800722206 /nfs/dbraw/zinc/72/22/06/800722206.db2.gz HFPIBPFZCNJUHT-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C)oc1C ZINC001024326908 800724628 /nfs/dbraw/zinc/72/46/28/800724628.db2.gz ODKCKTRGJUZLSV-HNNXBMFYSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001024448536 800728794 /nfs/dbraw/zinc/72/87/94/800728794.db2.gz QEYBEXWLHVQHGS-ARFHVFGLSA-N 1 1 292.467 3.215 20 30 CGEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1C(C)C ZINC001024471330 800730252 /nfs/dbraw/zinc/73/02/52/800730252.db2.gz CVYYWBZWEMVRNN-MRXNPFEDSA-N 1 1 298.430 3.028 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)cc(C)c1 ZINC001024778309 800737298 /nfs/dbraw/zinc/73/72/98/800737298.db2.gz XJAZTMLFEAIJBT-QGZVFWFLSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1=CCCC1 ZINC001025220597 800750365 /nfs/dbraw/zinc/75/03/65/800750365.db2.gz IANTZPOJWRGTHD-DLBZAZTESA-N 1 1 288.435 3.128 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2=CCCC2)C1 ZINC001025376729 800759227 /nfs/dbraw/zinc/75/92/27/800759227.db2.gz ZZCVRTOHDRBTHG-HIFRSBDPSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001025522791 800762486 /nfs/dbraw/zinc/76/24/86/800762486.db2.gz JGYAISMZHUWKID-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001025522790 800762723 /nfs/dbraw/zinc/76/27/23/800762723.db2.gz JGYAISMZHUWKID-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2ccccc2C)C1 ZINC001027279384 800788474 /nfs/dbraw/zinc/78/84/74/800788474.db2.gz VXISDJPDDOZNLO-INIZCTEOSA-N 1 1 286.419 3.108 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)/C=C(/C)C2CC2)C1 ZINC001027311953 800792088 /nfs/dbraw/zinc/79/20/88/800792088.db2.gz APVJISSQAWEEOL-LMRWQKIVSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)/C=C(/C)C2CC2)C1 ZINC001027311953 800792093 /nfs/dbraw/zinc/79/20/93/800792093.db2.gz APVJISSQAWEEOL-LMRWQKIVSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)CC2(C)CCCC2)C1 ZINC001027396477 800792654 /nfs/dbraw/zinc/79/26/54/800792654.db2.gz BYSNMPGEJXEJEI-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2ccsc2C)C1 ZINC001027401489 800794844 /nfs/dbraw/zinc/79/48/44/800794844.db2.gz FDSAKJMTVVHLBF-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)C2(C)CCCCCC2)C1 ZINC001027445769 800796495 /nfs/dbraw/zinc/79/64/95/800796495.db2.gz RLIZEGFQSZMISG-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)CCC)C1 ZINC001027425608 800796629 /nfs/dbraw/zinc/79/66/29/800796629.db2.gz JTMVSFBKWFYHRC-CYBMUJFWSA-N 1 1 286.847 3.098 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)C23CCC(CC2)CC3)C1 ZINC001027690963 800811419 /nfs/dbraw/zinc/81/14/19/800811419.db2.gz KTIWENRFAJZDHM-PQUAAJSLSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC12CC2 ZINC001027965663 800828027 /nfs/dbraw/zinc/82/80/27/800828027.db2.gz ZVNCXFZQPGPTRS-CVEARBPZSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C)ccc1C1CC1 ZINC001028050494 800829596 /nfs/dbraw/zinc/82/95/96/800829596.db2.gz SOZDMUKLZVOZPF-INIZCTEOSA-N 1 1 298.430 3.253 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CCC2CC2)CC1 ZINC001028118389 800831983 /nfs/dbraw/zinc/83/19/83/800831983.db2.gz ZAQIIEPLGUCBOB-KRWDZBQOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)c1occc1C(C)C ZINC001028093899 800832071 /nfs/dbraw/zinc/83/20/71/800832071.db2.gz QQJWFTIYJWKONZ-AWEZNQCLSA-N 1 1 290.407 3.173 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001028123327 800832710 /nfs/dbraw/zinc/83/27/10/800832710.db2.gz QKZVCAUHUOLDML-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC12CCCC2 ZINC001028242739 800835434 /nfs/dbraw/zinc/83/54/34/800835434.db2.gz HWPSNYAZANUKQP-CVEARBPZSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1cc(Cl)cs1 ZINC001028178415 800836695 /nfs/dbraw/zinc/83/66/95/800836695.db2.gz QDLPYIWUEUBAIB-LBPRGKRZSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C(C)C)cc1 ZINC001028280184 800837994 /nfs/dbraw/zinc/83/79/94/800837994.db2.gz HYQWEMLAPOSPGY-KRWDZBQOSA-N 1 1 286.419 3.190 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1cccc(C2CC2)c1 ZINC001028338819 800841999 /nfs/dbraw/zinc/84/19/99/800841999.db2.gz IASJADOFIAXTOC-SFHVURJKSA-N 1 1 298.430 3.334 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)C1CCC(C)(C)CC1 ZINC001028343013 800844218 /nfs/dbraw/zinc/84/42/18/800844218.db2.gz NWGJVCIKIAEHQO-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](CNC(=O)c2cc(C)ccc2C2CC2)C1 ZINC001028714059 800851871 /nfs/dbraw/zinc/85/18/71/800851871.db2.gz PXXGTUZHIXDGKQ-OAHLLOKOSA-N 1 1 298.430 3.110 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001028746658 800852625 /nfs/dbraw/zinc/85/26/25/800852625.db2.gz QRUHADBFNAJDCL-KGLIPLIRSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001028746658 800852632 /nfs/dbraw/zinc/85/26/32/800852632.db2.gz QRUHADBFNAJDCL-KGLIPLIRSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CNC(=O)c2ccsc2Cl)C1 ZINC001028848746 800854739 /nfs/dbraw/zinc/85/47/39/800854739.db2.gz YYLVKIVRGZSQQX-LLVKDONJSA-N 1 1 298.839 3.029 20 30 CGEDMO C=CC[N@H+]1CC[C@H](CNC(=O)c2cccc3ccccc32)C1 ZINC001028962421 800856181 /nfs/dbraw/zinc/85/61/81/800856181.db2.gz TYKUGJWGEDXFCP-OAHLLOKOSA-N 1 1 294.398 3.078 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)c2ccc(C(C)C)s2)C1 ZINC001031453927 800910971 /nfs/dbraw/zinc/91/09/71/800910971.db2.gz IJSJTKRJOXTCHZ-UHFFFAOYSA-N 1 1 292.448 3.252 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCCC1(C)C ZINC001032809522 800935798 /nfs/dbraw/zinc/93/57/98/800935798.db2.gz QKJQXPPKKUOFIK-HRCADAONSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cscc2C)C1 ZINC001032986977 800947952 /nfs/dbraw/zinc/94/79/52/800947952.db2.gz NMKVPZPKCRQLDN-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001033101377 800952080 /nfs/dbraw/zinc/95/20/80/800952080.db2.gz FOJCHBVANFURAU-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2cscc2Cl)C1 ZINC001033174897 800954183 /nfs/dbraw/zinc/95/41/83/800954183.db2.gz ZLCXHLZSPRVXMT-NSHDSACASA-N 1 1 298.839 3.124 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001033338711 800959488 /nfs/dbraw/zinc/95/94/88/800959488.db2.gz IMIGAHZYNSQMDC-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C(C)C)oc2C)C1 ZINC001033542990 800967550 /nfs/dbraw/zinc/96/75/50/800967550.db2.gz AZWMOKVHZXTLTK-AWEZNQCLSA-N 1 1 290.407 3.044 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C)cc(C)c2)C1 ZINC001033617887 800970963 /nfs/dbraw/zinc/97/09/63/800970963.db2.gz SLNRQFLNEMDDDH-QGZVFWFLSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)C2CCCC2)C1 ZINC001033728635 800978442 /nfs/dbraw/zinc/97/84/42/800978442.db2.gz VFHRIUGUTOVACE-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC2(C)C)C1 ZINC001033925462 800988642 /nfs/dbraw/zinc/98/86/42/800988642.db2.gz NYZSRBNSRADLAU-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc(Cl)c2)C1 ZINC001034028592 800994404 /nfs/dbraw/zinc/99/44/04/800994404.db2.gz HKFCOLNXQJZBBL-HNNXBMFYSA-N 1 1 292.810 3.062 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(C)cc2)C1 ZINC001034026302 800994810 /nfs/dbraw/zinc/99/48/10/800994810.db2.gz UYDKDDCPUAKEJZ-KRWDZBQOSA-N 1 1 286.419 3.108 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)CC2CCC2)C1 ZINC001034151463 801007475 /nfs/dbraw/zinc/00/74/75/801007475.db2.gz NUOLEDGYDZHZFM-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2cc(C)c(C)o2)C1 ZINC001034164119 801009847 /nfs/dbraw/zinc/00/98/47/801009847.db2.gz GVASFUFJRSIRTA-HNNXBMFYSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2c(C)coc2C)C1 ZINC001034202920 801011314 /nfs/dbraw/zinc/01/13/14/801011314.db2.gz XGNWLLGXDGKVQY-HNNXBMFYSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001034222369 801012441 /nfs/dbraw/zinc/01/24/41/801012441.db2.gz CLKHAIYLTMQPGV-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001034263727 801014296 /nfs/dbraw/zinc/01/42/96/801014296.db2.gz BLQQYFZBUALSBQ-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001034331051 801017168 /nfs/dbraw/zinc/01/71/68/801017168.db2.gz POBVPPLJKHQILG-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2occc2C(C)C)C1 ZINC001034359752 801021371 /nfs/dbraw/zinc/02/13/71/801021371.db2.gz BDGNWDAMCJOZRC-CQSZACIVSA-N 1 1 290.407 3.173 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)c2occc2CC)C1 ZINC001034386222 801022848 /nfs/dbraw/zinc/02/28/48/801022848.db2.gz XLOWHPSAMWDLBM-HNNXBMFYSA-N 1 1 290.407 3.002 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001034389233 801022875 /nfs/dbraw/zinc/02/28/75/801022875.db2.gz KWNGRDAENYDRLM-RBSFLKMASA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001034389233 801022880 /nfs/dbraw/zinc/02/28/80/801022880.db2.gz KWNGRDAENYDRLM-RBSFLKMASA-N 1 1 298.858 3.146 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@@H+](CCC3CC3)C2)C1 ZINC001034388955 801023079 /nfs/dbraw/zinc/02/30/79/801023079.db2.gz KYUOINROAGQXNF-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001034388851 801023231 /nfs/dbraw/zinc/02/32/31/801023231.db2.gz ITEUBCBYPNPYTG-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2cccc(C(C)C)c2)C1 ZINC001034472804 801028546 /nfs/dbraw/zinc/02/85/46/801028546.db2.gz ZUGQFKXRQSEJQY-GOSISDBHSA-N 1 1 298.430 3.028 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CN(C(=O)C3CCCCC3)CC[C@@H]21 ZINC001036629949 801085323 /nfs/dbraw/zinc/08/53/23/801085323.db2.gz YNWDIEMFIHXGLU-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)C3CCCCC3)CC[C@@H]21 ZINC001036628417 801085670 /nfs/dbraw/zinc/08/56/70/801085670.db2.gz AMSQPWYPRXJYNE-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CC(C)C)C1 ZINC001036791756 801089850 /nfs/dbraw/zinc/08/98/50/801089850.db2.gz DHKFCDYOADZLAT-HOTGVXAUSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C(C)(C)C)CC[C@H]21 ZINC001036790609 801090418 /nfs/dbraw/zinc/09/04/18/801090418.db2.gz LPCBDDWIJFGDLU-HUUCEWRRSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C)ccc3C)CC[C@H]21 ZINC001036878905 801093058 /nfs/dbraw/zinc/09/30/58/801093058.db2.gz DFJDZYYFWSIOND-SJLPKXTDSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)sc1C ZINC001038468640 801126804 /nfs/dbraw/zinc/12/68/04/801126804.db2.gz IWVVLWPQNUWKAS-CQSZACIVSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(Cl)c(C)c1 ZINC001038663124 801130735 /nfs/dbraw/zinc/13/07/35/801130735.db2.gz MTFFIGCYLOEFBM-AWEZNQCLSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1cc(C(C)C)oc1C ZINC001038868277 801134148 /nfs/dbraw/zinc/13/41/48/801134148.db2.gz KMVZDCKWICGLPU-CQSZACIVSA-N 1 1 290.407 3.092 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C(C)C)oc1C ZINC001038868277 801134153 /nfs/dbraw/zinc/13/41/53/801134153.db2.gz KMVZDCKWICGLPU-CQSZACIVSA-N 1 1 290.407 3.092 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2ccccc2c1 ZINC001038956123 801138404 /nfs/dbraw/zinc/13/84/04/801138404.db2.gz MGEJWDZPIFTTAK-GOSISDBHSA-N 1 1 294.398 3.220 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1cc2cccc(C)c2o1 ZINC001039057428 801143798 /nfs/dbraw/zinc/14/37/98/801143798.db2.gz SFCUWVBRGDJGIO-HNNXBMFYSA-N 1 1 298.386 3.121 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC001039189537 801151720 /nfs/dbraw/zinc/15/17/20/801151720.db2.gz UODVRQCNNHUUQY-INIZCTEOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)CCC3CCC3)C2)C1 ZINC001040146382 801173521 /nfs/dbraw/zinc/17/35/21/801173521.db2.gz SXEPEWUUSCKTKV-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)/C(C)=C\C)C2)C1 ZINC001040145647 801174063 /nfs/dbraw/zinc/17/40/63/801174063.db2.gz PVZKCXIETHOBPO-JZWGVLFKSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C)C(C)(C)C)C2)C1 ZINC001040263732 801175833 /nfs/dbraw/zinc/17/58/33/801175833.db2.gz HRTGQEYVKJDJLR-MAUKXSAKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C(C)C)C2 ZINC001040368574 801177479 /nfs/dbraw/zinc/17/74/79/801177479.db2.gz IXSRQINYLNHUOV-ROUUACIJSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](C)C(C)C)C2)C1 ZINC001040426814 801178242 /nfs/dbraw/zinc/17/82/42/801178242.db2.gz YOPVLEPYTMWMTR-SJLPKXTDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)c3ccccc3)C2)C1 ZINC001041025254 801184385 /nfs/dbraw/zinc/18/43/85/801184385.db2.gz AKJJJAVXZNJGSR-LJQANCHMSA-N 1 1 298.430 3.191 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(CCN(C(=O)CC3CCCC3)C2)C1 ZINC001041038145 801185147 /nfs/dbraw/zinc/18/51/47/801185147.db2.gz SBDVJKNQRSPZFK-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)C(C)(C)C)C2)C1 ZINC001041540830 801189452 /nfs/dbraw/zinc/18/94/52/801189452.db2.gz QNVXGBPUYPOFER-SFHVURJKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc(C=C)cc3)C2)C1 ZINC001041704985 801192280 /nfs/dbraw/zinc/19/22/80/801192280.db2.gz HZWHLLZBNLNBDG-LJQANCHMSA-N 1 1 296.414 3.054 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC[C@@]3(CC[N@H+](CCCC)C3)C2)C1 ZINC001041655996 801193015 /nfs/dbraw/zinc/19/30/15/801193015.db2.gz JAZUXIRPLUYNPY-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)CC(C)(C)C)C[C@@H]21 ZINC001041927692 801196588 /nfs/dbraw/zinc/19/65/88/801196588.db2.gz INMMOZYATWHKNL-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C3(CC)CCC3)C[C@@H]21 ZINC001042193653 801201368 /nfs/dbraw/zinc/20/13/68/801201368.db2.gz PPKIJMWRRWKHCX-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)CC)C[C@H]21 ZINC001042206363 801203469 /nfs/dbraw/zinc/20/34/69/801203469.db2.gz DVVUAAZVMYPMPS-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C=C)cc3)C[C@H]21 ZINC001042241313 801203986 /nfs/dbraw/zinc/20/39/86/801203986.db2.gz WGSZWCQXEFCLCB-SJLPKXTDSA-N 1 1 296.414 3.052 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)C3(CC)CCCC3)C[C@H]21 ZINC001042292797 801205263 /nfs/dbraw/zinc/20/52/63/801205263.db2.gz XLMSIHFUCQZOPG-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC ZINC001045787892 801286807 /nfs/dbraw/zinc/28/68/07/801286807.db2.gz ZTLCHEWKNOMWCM-KGLIPLIRSA-N 1 1 298.858 3.240 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](F)CC ZINC001045826680 801287675 /nfs/dbraw/zinc/28/76/75/801287675.db2.gz CQGLVMGLAVEPPJ-KFWWJZLASA-N 1 1 296.430 3.012 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC ZINC001045827369 801287762 /nfs/dbraw/zinc/28/77/62/801287762.db2.gz MAJKKCINXHRUAN-CABCVRRESA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C1CC1)C2 ZINC001045906417 801290252 /nfs/dbraw/zinc/29/02/52/801290252.db2.gz YUGCDWCOBBQJJV-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](F)CC)C2 ZINC001045958084 801295960 /nfs/dbraw/zinc/29/59/60/801295960.db2.gz KFDDAHONUXIHAP-RDJZCZTQSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001046320543 801307836 /nfs/dbraw/zinc/30/78/36/801307836.db2.gz JMCOLKOYWZZZBS-RDJZCZTQSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(C)sc2C)C1 ZINC001046465073 801311631 /nfs/dbraw/zinc/31/16/31/801311631.db2.gz WGVSUVDZOHBFTI-MRXNPFEDSA-N 1 1 292.448 3.135 20 30 CGEDMO C=C1CCC(C(=O)N[C@@]2(C)CC[N@H+](C[C@H](F)CC)C2)CC1 ZINC001046594937 801317383 /nfs/dbraw/zinc/31/73/83/801317383.db2.gz SHDMSBFWMXMGBZ-WBVHZDCISA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2cc(C)cc(C)c2)C1 ZINC001046797075 801326796 /nfs/dbraw/zinc/32/67/96/801326796.db2.gz SCXJIQBHBIXJBX-SFHVURJKSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2cc3c(cccc3C)o2)C1 ZINC001046862346 801330834 /nfs/dbraw/zinc/33/08/34/801330834.db2.gz HPWRZZXUELXSME-GOSISDBHSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCC)C3)CC1 ZINC001047139272 801333330 /nfs/dbraw/zinc/33/33/30/801333330.db2.gz PARBQBANBFBYGQ-UAGQMJEPSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[N@@H+](C[C@H](C)CC)C[C@@H]2C1 ZINC001049036610 801356910 /nfs/dbraw/zinc/35/69/10/801356910.db2.gz YHZTZIRVFWECBC-XLMAVXFVSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CCCCC1 ZINC001049298991 801361043 /nfs/dbraw/zinc/36/10/43/801361043.db2.gz PRRZQFGMZFYTKD-IAGOWNOFSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC(C)(C)C ZINC001049327243 801364720 /nfs/dbraw/zinc/36/47/20/801364720.db2.gz NOULZFOCGNBVCC-GJZGRUSLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CC1 ZINC001049634129 801377519 /nfs/dbraw/zinc/37/75/19/801377519.db2.gz PAWBMYDBRHFUEC-CVEARBPZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(CC)CCC1 ZINC001049645091 801380616 /nfs/dbraw/zinc/38/06/16/801380616.db2.gz LUHKBQDDQANOMU-JKSUJKDBSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CC1 ZINC001049694836 801385097 /nfs/dbraw/zinc/38/50/97/801385097.db2.gz RUEGAHLUGLMDGG-LZLYRXPVSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1CCC ZINC001049702752 801385814 /nfs/dbraw/zinc/38/58/14/801385814.db2.gz NUAMDVUUWYGKFC-QBPKDAKJSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CC(C)C)C1 ZINC001049701540 801385877 /nfs/dbraw/zinc/38/58/77/801385877.db2.gz FGDOARBRGLXSJZ-HOTGVXAUSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)C(C)C ZINC001049769735 801388843 /nfs/dbraw/zinc/38/88/43/801388843.db2.gz PWEZAWACHVEWCS-RRFJBIMHSA-N 1 1 298.858 3.096 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)C(C)C ZINC001049769735 801388852 /nfs/dbraw/zinc/38/88/52/801388852.db2.gz PWEZAWACHVEWCS-RRFJBIMHSA-N 1 1 298.858 3.096 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)C(C)C ZINC001049769703 801389308 /nfs/dbraw/zinc/38/93/08/801389308.db2.gz PRGOEOSEMKTZIA-BRWVUGGUSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccc(C)c(C)c1 ZINC001049872309 801391744 /nfs/dbraw/zinc/39/17/44/801391744.db2.gz RCXCWULJMSJACY-ZWKOTPCHSA-N 1 1 298.430 3.168 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C[C@@H]2C=CCC2)CC1 ZINC001052187776 801424354 /nfs/dbraw/zinc/42/43/54/801424354.db2.gz PHRKMBQSZVZQPD-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2ccsc2)CC1 ZINC001052179320 801425052 /nfs/dbraw/zinc/42/50/52/801425052.db2.gz GGRHGPUGDVGENB-OAHLLOKOSA-N 1 1 292.448 3.299 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2sccc2F)CC1 ZINC001052360172 801432215 /nfs/dbraw/zinc/43/22/15/801432215.db2.gz ITSNHUPTSTVVSX-LBPRGKRZSA-N 1 1 296.411 3.048 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)C2CCC2)CC1 ZINC001052483165 801436261 /nfs/dbraw/zinc/43/62/61/801436261.db2.gz FAYKWVXQEZGNRC-UKRRQHHQSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@]2(C)C=CCC2)CC1 ZINC001052631026 801440422 /nfs/dbraw/zinc/44/04/22/801440422.db2.gz MKZJRWIRLNLQCL-AEFFLSMTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)C2CCC(=C)CC2)CC1 ZINC001052675739 801444829 /nfs/dbraw/zinc/44/48/29/801444829.db2.gz APBVCUAMSXIUMM-KRWDZBQOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2occc2Cl)CC1 ZINC001052686594 801446590 /nfs/dbraw/zinc/44/65/90/801446590.db2.gz LCXAGCSQPSUHEP-LBPRGKRZSA-N 1 1 296.798 3.093 20 30 CGEDMO C[C@H]1C[C@@H](N2CCC(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001256536197 806911066 /nfs/dbraw/zinc/91/10/66/806911066.db2.gz FYBDGMJENBQCHJ-LPHOPBHVSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@H]1C[C@@H](N2CCC(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC001256536197 806911071 /nfs/dbraw/zinc/91/10/71/806911071.db2.gz FYBDGMJENBQCHJ-LPHOPBHVSA-N 1 1 297.446 3.275 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccoc2CCC)CC1 ZINC001052866014 801452956 /nfs/dbraw/zinc/45/29/56/801452956.db2.gz UAFCHDMMEZAHNX-CQSZACIVSA-N 1 1 290.407 3.002 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)c(C)s2)CC1 ZINC001052922762 801458487 /nfs/dbraw/zinc/45/84/87/801458487.db2.gz QZWFFIIEPOMQKW-CQSZACIVSA-N 1 1 292.448 3.135 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCC)C2)C1 ZINC001052998885 801460413 /nfs/dbraw/zinc/46/04/13/801460413.db2.gz FHJQRWXCCXNXAA-IRXDYDNUSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C(C)C)C2)C1 ZINC001053006076 801461866 /nfs/dbraw/zinc/46/18/66/801461866.db2.gz ICKUCMRDRLMHRW-SJORKVTESA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)/C(C)=C\C)C2 ZINC001054110327 801473668 /nfs/dbraw/zinc/47/36/68/801473668.db2.gz CVIXIDYREQEOED-JZWGVLFKSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1(C)CCC1)C2 ZINC001054178465 801477417 /nfs/dbraw/zinc/47/74/17/801477417.db2.gz DRBLNXWMYJMPGO-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@](C)(C=C)CC)C2 ZINC001054192035 801478154 /nfs/dbraw/zinc/47/81/54/801478154.db2.gz PXNKKDJGZRNCTN-QZTJIDSGSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2CCCC2)CC[C@@H]1C ZINC001071294493 801522011 /nfs/dbraw/zinc/52/20/11/801522011.db2.gz UCNIJOUPKCFTKB-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C[C@@H]1C[C@@H](N2CC[C@](C)(C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC001256561200 806916450 /nfs/dbraw/zinc/91/64/50/806916450.db2.gz WBDARGZBIWLQTA-NZSAHSFTSA-N 1 1 297.446 3.275 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C2(C)CCCC2)CC[C@@H]1C ZINC001071714815 801547166 /nfs/dbraw/zinc/54/71/66/801547166.db2.gz BBMHNYUCNAMLBZ-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2occc2Cl)CC[C@@H]1C ZINC001071796557 801551892 /nfs/dbraw/zinc/55/18/92/801551892.db2.gz UAWKYERIDFEPSK-RYUDHWBXSA-N 1 1 296.798 3.092 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CCCC)C2)C1 ZINC001071803353 801553965 /nfs/dbraw/zinc/55/39/65/801553965.db2.gz LAYNMXUMKKZYIF-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C2(F)CCCCC2)CC[C@@H]1C ZINC001071963746 801558582 /nfs/dbraw/zinc/55/85/82/801558582.db2.gz IIHQJVBPRGCAJW-LSDHHAIUSA-N 1 1 296.430 3.204 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)C23CCC(CC2)CC3)CC[C@@H]1C ZINC001072096077 801563982 /nfs/dbraw/zinc/56/39/82/801563982.db2.gz SRNPSBYGWJJVKF-UERKLNTKSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)c2sccc2CC)CC[C@H]1C ZINC001072098874 801564021 /nfs/dbraw/zinc/56/40/21/801564021.db2.gz HLULBHUGDBVGFW-TZMCWYRMSA-N 1 1 292.448 3.079 20 30 CGEDMO C=CCC[N@H+]1CCC2(CN(C(=O)c3ccc(C=C)cc3)C2)C1 ZINC001073003829 801577027 /nfs/dbraw/zinc/57/70/27/801577027.db2.gz NRRWBPQAYZRFRL-UHFFFAOYSA-N 1 1 296.414 3.054 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C3CCCCCC3)[C@@H]2C1 ZINC001075602805 801606853 /nfs/dbraw/zinc/60/68/53/801606853.db2.gz OGXIULYUDNMBCI-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C3CCCCCC3)[C@@H]2C1 ZINC001075602831 801607031 /nfs/dbraw/zinc/60/70/31/801607031.db2.gz PFWXMTWRRQRZOF-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001080407436 801651566 /nfs/dbraw/zinc/65/15/66/801651566.db2.gz AZIRJIVKEMVSOL-OWCLPIDISA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCN(CC=C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001256611457 806925410 /nfs/dbraw/zinc/92/54/10/806925410.db2.gz SIRJONACSVYLDW-UHFFFAOYSA-N 1 1 270.420 3.325 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2occc2C(C)C)C1 ZINC001080314690 801651848 /nfs/dbraw/zinc/65/18/48/801651848.db2.gz ODJBSDWSUSFZIN-UKRRQHHQSA-N 1 1 290.407 3.029 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001080472057 801652861 /nfs/dbraw/zinc/65/28/61/801652861.db2.gz AJBZRURSXGIWLK-QBPKDAKJSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2coc3ccccc23)C1 ZINC001081040745 801658905 /nfs/dbraw/zinc/65/89/05/801658905.db2.gz SCCNJWQOXKLVJO-CZUORRHYSA-N 1 1 298.386 3.059 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3(C)CCCCC3)[C@@H]2C1 ZINC001084629921 801670573 /nfs/dbraw/zinc/67/05/73/801670573.db2.gz NSGMFMCQTWRHRM-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC=CCCC1 ZINC001085669232 801697598 /nfs/dbraw/zinc/69/75/98/801697598.db2.gz VNDWZMXLSPYFOO-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CCC(=C)CC1 ZINC001085800886 801705858 /nfs/dbraw/zinc/70/58/58/801705858.db2.gz DXUCPWQUJDVMHN-KRWDZBQOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c(C)csc1Cl ZINC001085945027 801711679 /nfs/dbraw/zinc/71/16/79/801711679.db2.gz XYRJBJSIHUZDBW-NSHDSACASA-N 1 1 298.839 3.042 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(C)csc1Cl ZINC001085945027 801711681 /nfs/dbraw/zinc/71/16/81/801711681.db2.gz XYRJBJSIHUZDBW-NSHDSACASA-N 1 1 298.839 3.042 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(Cl)c1 ZINC001085940349 801711695 /nfs/dbraw/zinc/71/16/95/801711695.db2.gz DXZDFUWYVPBAIJ-OAHLLOKOSA-N 1 1 292.810 3.062 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc2ccccc2o1 ZINC001085960935 801713373 /nfs/dbraw/zinc/71/33/73/801713373.db2.gz SGXOOORWMVIAFH-OAHLLOKOSA-N 1 1 298.386 3.155 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2ccccc2o1 ZINC001085960935 801713378 /nfs/dbraw/zinc/71/33/78/801713378.db2.gz SGXOOORWMVIAFH-OAHLLOKOSA-N 1 1 298.386 3.155 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1sccc1CC ZINC001085985786 801716060 /nfs/dbraw/zinc/71/60/60/801716060.db2.gz MZIJYUDOHFBQHA-CQSZACIVSA-N 1 1 292.448 3.033 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2CCCCCC2)[C@H]1CC ZINC001087519402 801754521 /nfs/dbraw/zinc/75/45/21/801754521.db2.gz MGHALRQPAUUWSO-JKSUJKDBSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2occc2CC)[C@H]1CC ZINC001087714438 801764906 /nfs/dbraw/zinc/76/49/06/801764906.db2.gz NKTAIITYWRMOTE-LSDHHAIUSA-N 1 1 290.407 3.001 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](C[C@@H](F)CC)[C@@H]2CC)C1 ZINC001087717816 801766156 /nfs/dbraw/zinc/76/61/56/801766156.db2.gz PJXOLDMTIPDZSF-SOUVJXGZSA-N 1 1 296.430 3.060 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2(C)CCCCCC2)[C@H]1C ZINC001088627992 801804855 /nfs/dbraw/zinc/80/48/55/801804855.db2.gz SHQLRXSFTOPHIS-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cccc(C)c2C)[C@H]1C ZINC001089015975 801816714 /nfs/dbraw/zinc/81/67/14/801816714.db2.gz BAUVQRCYFQRNNW-WBVHZDCISA-N 1 1 286.419 3.072 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C2CCC2)[C@H]1C ZINC001089011009 801817213 /nfs/dbraw/zinc/81/72/13/801817213.db2.gz FVLWGANWTKDGSK-KDOFPFPSSA-N 1 1 298.430 3.333 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC(C)(C)C2)[C@H]1C ZINC001089065758 801817782 /nfs/dbraw/zinc/81/77/82/801817782.db2.gz AQZIFHQNXLKLFL-OAGGEKHMSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C3CC3)cc2)[C@H]1C ZINC001089053920 801818247 /nfs/dbraw/zinc/81/82/47/801818247.db2.gz SUIQZIHKQAIXNV-KDOFPFPSSA-N 1 1 298.430 3.333 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCC2(C)C)[C@H]1C ZINC001089067882 801819007 /nfs/dbraw/zinc/81/90/07/801819007.db2.gz AMKFBGHXBDOXPY-PMPSAXMXSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C23CCC(CC2)CC3)[C@H]1C ZINC001089055071 801819180 /nfs/dbraw/zinc/81/91/80/801819180.db2.gz UQOMSAOKRXBMDS-CTMQZQKCSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCC2(C)C)[C@H]1C ZINC001089067881 801819455 /nfs/dbraw/zinc/81/94/55/801819455.db2.gz AMKFBGHXBDOXPY-OAGGEKHMSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2CCC2)CC(C)(C)C1 ZINC001089292906 801828985 /nfs/dbraw/zinc/82/89/85/801828985.db2.gz LHVLCIWWIHFMJU-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2(C)CC=CC2)CC(C)(C)C1 ZINC001089483604 801841099 /nfs/dbraw/zinc/84/10/99/801841099.db2.gz KHBFXFGLTLJJHN-HNNXBMFYSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC001089606087 801846434 /nfs/dbraw/zinc/84/64/34/801846434.db2.gz VPFAETBFGNTJAX-CVEARBPZSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)C[C@H]2C)CC1 ZINC001092934429 801864525 /nfs/dbraw/zinc/86/45/25/801864525.db2.gz AFSGUZGUXFHCQZ-NVXWUHKLSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(C)=O)CC1 ZINC001093347396 801866926 /nfs/dbraw/zinc/86/69/26/801866926.db2.gz KXZRJFILDGAKBU-KRWDZBQOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)c1ccc(C)cc1)C2 ZINC001096371959 801888913 /nfs/dbraw/zinc/88/89/13/801888913.db2.gz ALHGGFJZGIFDQN-RANZSIQMSA-N 1 1 298.430 3.006 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C1CCC1)C2 ZINC001097315382 801899358 /nfs/dbraw/zinc/89/93/58/801899358.db2.gz XHGTUBQZPCCGHO-DZUCGIPZSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1C=CCCC1)C2 ZINC001097319574 801899609 /nfs/dbraw/zinc/89/96/09/801899609.db2.gz KSLDXVODSQXLNA-HZMVEIRTSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1C=CCCC1)C2 ZINC001097319576 801900194 /nfs/dbraw/zinc/90/01/94/801900194.db2.gz KSLDXVODSQXLNA-VQHPVUNQSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC=CCC1)C2 ZINC001097654024 801901201 /nfs/dbraw/zinc/90/12/01/801901201.db2.gz UAFHOLHGRQZIPP-VQHPVUNQSA-N 1 1 288.435 3.030 20 30 CGEDMO C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)C ZINC001098916832 801920073 /nfs/dbraw/zinc/92/00/73/801920073.db2.gz ULPDASYFLOBHDT-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)C ZINC001098904152 801920940 /nfs/dbraw/zinc/92/09/40/801920940.db2.gz AQOBMANTUOFVAI-ZDUSSCGKSA-N 1 1 286.847 3.002 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)C ZINC001098904152 801920945 /nfs/dbraw/zinc/92/09/45/801920945.db2.gz AQOBMANTUOFVAI-ZDUSSCGKSA-N 1 1 286.847 3.002 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)/C(C)=C/CC ZINC001098944011 801922980 /nfs/dbraw/zinc/92/29/80/801922980.db2.gz HEPHMQJZQJXQSX-UJMHRVFCSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccccc2CC)C1 ZINC001099002918 801924031 /nfs/dbraw/zinc/92/40/31/801924031.db2.gz UQQHHABMSKUEPR-LPHOPBHVSA-N 1 1 298.430 3.019 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCC ZINC001099171303 801930069 /nfs/dbraw/zinc/93/00/69/801930069.db2.gz OXDRVJGFBACUIJ-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](F)CC ZINC001099183826 801932313 /nfs/dbraw/zinc/93/23/13/801932313.db2.gz YLTMZDSXVNCJEG-GJZGRUSLSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1(CC)CC1 ZINC001099224571 801934415 /nfs/dbraw/zinc/93/44/15/801934415.db2.gz DGSUJMQVJILVPM-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(C)=O ZINC001099372109 801935946 /nfs/dbraw/zinc/93/59/46/801935946.db2.gz KFTAZSTUWWPLJQ-FJIDUMEYSA-N 1 1 292.467 3.146 20 30 CGEDMO C=CCCC(=O)N1C[C@H]2C[N@H+](CCC(C)(C)C)C[C@@]2(C)C1 ZINC001101167571 801973795 /nfs/dbraw/zinc/97/37/95/801973795.db2.gz JOOFMJOYTGJLMV-QAPCUYQASA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CCC(=O)N1C[C@H]2C[N@H+](CCC(C)C)C[C@@]2(C)C1 ZINC001101253538 801975738 /nfs/dbraw/zinc/97/57/38/801975738.db2.gz PPVBETSWUUCBSU-AEFFLSMTSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)CC(C)C)C[C@]2(C)C1 ZINC001101424412 801979793 /nfs/dbraw/zinc/97/97/93/801979793.db2.gz ONNZCAOXIQHNDS-QAPCUYQASA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](CNC(=O)C[C@H](C)CCC)[C@H](C)C1 ZINC001101802675 801991443 /nfs/dbraw/zinc/99/14/43/801991443.db2.gz FCWSJVNUTLNHAC-BZUAXINKSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)C[C@H](C)C(C)C)[C@H](C)C1 ZINC001101808003 801992561 /nfs/dbraw/zinc/99/25/61/801992561.db2.gz QGLJTRXYKYPUDY-GVDBMIGSSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1C[N@H+](CC=C(C)C)C[C@H]1C ZINC001102003837 801997611 /nfs/dbraw/zinc/99/76/11/801997611.db2.gz RMFAUMXGIGIQLG-HZPDHXFCSA-N 1 1 292.467 3.239 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@](C)(F)CCCC)[C@H](C)C1 ZINC001102106528 801999321 /nfs/dbraw/zinc/99/93/21/801999321.db2.gz RUCMLCHKNWHIEH-INMHGKMJSA-N 1 1 298.446 3.165 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](C[C@H](F)CC)C[C@H]1C ZINC001102219540 801999601 /nfs/dbraw/zinc/99/96/01/801999601.db2.gz LVCWYIPTGUTRKG-RBSFLKMASA-N 1 1 298.446 3.021 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H](F)CC)[C@H](C)C1 ZINC001102233271 802000627 /nfs/dbraw/zinc/00/06/27/802000627.db2.gz PNIQBCRXOPVPJF-BZUAXINKSA-N 1 1 298.446 3.165 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)CC)[C@H](C)C1 ZINC001102303092 802003823 /nfs/dbraw/zinc/00/38/23/802003823.db2.gz OYTRSLCPPMFZNJ-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@](C)(CC)CCC)[C@H](C)C1 ZINC001102484742 802008050 /nfs/dbraw/zinc/00/80/50/802008050.db2.gz VUXLHEBJZBJLOG-JFIYKMOQSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CCCCC2)C1 ZINC001102643947 802016283 /nfs/dbraw/zinc/01/62/83/802016283.db2.gz VEQUYOQAIZGKJH-NVXWUHKLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C=C(CC)CC)C1 ZINC001102851690 802021451 /nfs/dbraw/zinc/02/14/51/802021451.db2.gz VXCCEUVNQBNZGG-NVXWUHKLSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NCC[C@@H]1C[N@@H+](CC2CC2)C[C@H]1C ZINC001103346468 802030334 /nfs/dbraw/zinc/03/03/34/802030334.db2.gz MVBGJMVZMDVVRX-HLLBOEOZSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1C ZINC001103314948 802031557 /nfs/dbraw/zinc/03/15/57/802031557.db2.gz HWFIOABEEACFQL-RTIZMKJZSA-N 1 1 298.858 3.025 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NCC[C@@H]1C[N@@H+](CCCC)C[C@H]1C ZINC001103346760 802032168 /nfs/dbraw/zinc/03/21/68/802032168.db2.gz RDQWPKGBBSVIEZ-GVDBMIGSSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC(CC)CC)C1 ZINC001103580457 802036312 /nfs/dbraw/zinc/03/63/12/802036312.db2.gz LDXWLSCDLGBUSV-NVXWUHKLSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(CNC(=O)CCC(C)C)CCC[C@@H]12 ZINC001107276980 802083319 /nfs/dbraw/zinc/08/33/19/802083319.db2.gz JEBKGJBQFFYLQT-SJLPKXTDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)CCC)CCC[C@@H]12 ZINC001107261693 802083494 /nfs/dbraw/zinc/08/34/94/802083494.db2.gz ORYVGILTDDICBY-NVXWUHKLSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@]2(CNC(=O)CCC=C)CCC[C@@H]12 ZINC001107326786 802086174 /nfs/dbraw/zinc/08/61/74/802086174.db2.gz GIJNSGFGFRQTOE-SJLPKXTDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)C(CC)CC)CCC[C@@H]12 ZINC001107292514 802086330 /nfs/dbraw/zinc/08/63/30/802086330.db2.gz IONCJHOHUMSQSV-SJLPKXTDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](C[C@@H](C)CC)CC2 ZINC001107327051 802086415 /nfs/dbraw/zinc/08/64/15/802086415.db2.gz PPCPFXAYTYHKJY-LZLYRXPVSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC)CC2 ZINC001107424165 802087173 /nfs/dbraw/zinc/08/71/73/802087173.db2.gz ALNUXQAAXQQLLC-NVXWUHKLSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=C)C)CC2 ZINC001107502890 802089070 /nfs/dbraw/zinc/08/90/70/802089070.db2.gz PRLUMAKEYMYJHY-CRAIPNDOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)CC(CC)CC)CCC[C@@H]12 ZINC001107590896 802091275 /nfs/dbraw/zinc/09/12/75/802091275.db2.gz MWRZHYHUNOEIRT-SJLPKXTDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC)C2 ZINC001108869215 802101120 /nfs/dbraw/zinc/10/11/20/802101120.db2.gz MJVFWCFANUCKRH-PMPSAXMXSA-N 1 1 278.440 3.254 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCCCC1)C2 ZINC001108873451 802103032 /nfs/dbraw/zinc/10/30/32/802103032.db2.gz LGXUMPAOVLXRJC-IKGGRYGDSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C(C)=C/CC)C2 ZINC001109009111 802105522 /nfs/dbraw/zinc/10/55/22/802105522.db2.gz HRRADUYUZDHLMK-WHOKWOSTSA-N 1 1 290.451 3.419 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=C)C ZINC001109327879 802112887 /nfs/dbraw/zinc/11/28/87/802112887.db2.gz AKNGULCGTGRERB-IKGGRYGDSA-N 1 1 288.435 3.052 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=C)C)CCC1 ZINC001109680655 802122596 /nfs/dbraw/zinc/12/25/96/802122596.db2.gz SNKQKZJZANAOEX-PMPSAXMXSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC)CCC1 ZINC001109680484 802123110 /nfs/dbraw/zinc/12/31/10/802123110.db2.gz LJTXSSROJFHLJB-PMPSAXMXSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)C ZINC001109767989 802124340 /nfs/dbraw/zinc/12/43/40/802124340.db2.gz UKXVRPJCQISJGC-PMPSAXMXSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](C)CC ZINC001109767971 802125328 /nfs/dbraw/zinc/12/53/28/802125328.db2.gz SVKORKFHTZJZJP-WCVJEAGWSA-N 1 1 292.467 3.356 20 30 CGEDMO CCCCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC ZINC001110023050 802129943 /nfs/dbraw/zinc/12/99/43/802129943.db2.gz JAOPKJAZHULYLP-PMPSAXMXSA-N 1 1 280.456 3.478 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C ZINC001110368871 802139085 /nfs/dbraw/zinc/13/90/85/802139085.db2.gz PLVNFMLICSIHPW-KURKYZTESA-N 1 1 298.430 3.183 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC=CC1)C2 ZINC001110408847 802140993 /nfs/dbraw/zinc/14/09/93/802140993.db2.gz FNXXPIHWGSZNNY-SVGFKBNWSA-N 1 1 288.435 3.029 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C=C(CC)CC)C2 ZINC001110442380 802141970 /nfs/dbraw/zinc/14/19/70/802141970.db2.gz KFSFPILZKRMQLO-OAGGEKHMSA-N 1 1 276.424 3.030 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)CCCC)C2 ZINC001110519400 802145100 /nfs/dbraw/zinc/14/51/00/802145100.db2.gz UVDBTFGCPZBZPM-JJXSEGSLSA-N 1 1 278.440 3.110 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C(C)(C)C)C2 ZINC001110902280 802148998 /nfs/dbraw/zinc/14/89/98/802148998.db2.gz SLWMWNKHQFIQBU-KFWWJZLASA-N 1 1 292.467 3.356 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@H](C)F ZINC001110891915 802149374 /nfs/dbraw/zinc/14/93/74/802149374.db2.gz FINSZIMHKPCNMM-YJNKXOJESA-N 1 1 296.430 3.058 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC1CC1)C2 ZINC001110930412 802150364 /nfs/dbraw/zinc/15/03/64/802150364.db2.gz FCEPUYCPQDRMLY-ZACQAIPSSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)C ZINC001110934475 802150813 /nfs/dbraw/zinc/15/08/13/802150813.db2.gz FIOXECHNRSAJNT-VQHPVUNQSA-N 1 1 292.467 3.356 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C\Cl ZINC001110934571 802151221 /nfs/dbraw/zinc/15/12/21/802151221.db2.gz IEMWBBVHGFNQCS-ULGBILJFSA-N 1 1 296.842 3.063 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C/C=C\Cl ZINC001110934571 802151226 /nfs/dbraw/zinc/15/12/26/802151226.db2.gz IEMWBBVHGFNQCS-ULGBILJFSA-N 1 1 296.842 3.063 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](F)CCCCCC)C2 ZINC001111278169 802158944 /nfs/dbraw/zinc/15/89/44/802158944.db2.gz AJKYQAVWJMDYIV-FPCVCCKLSA-N 1 1 296.430 3.202 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)c1ccccc1)C2 ZINC001111357439 802159805 /nfs/dbraw/zinc/15/98/05/802159805.db2.gz FRJIMBGMMFHKKD-DDBAPUKQSA-N 1 1 298.430 3.088 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=C)C)C2 ZINC001111848418 802170898 /nfs/dbraw/zinc/17/08/98/802170898.db2.gz GHCOKUDHCXDLNP-RYRKJORJSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCCC[NH+]1CCN(C(=O)c2sccc2Cl)CC1 ZINC001112869821 802193369 /nfs/dbraw/zinc/19/33/69/802193369.db2.gz VJQIKMZHYIFHGQ-UHFFFAOYSA-N 1 1 298.839 3.126 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)C[C@@H](C)CCCCC)CC1 ZINC001113404886 802218307 /nfs/dbraw/zinc/21/83/07/802218307.db2.gz LSEJDBSFAWLPSX-INIZCTEOSA-N 1 1 280.456 3.313 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)[C@H](C)[C@H](C)C(C)(C)C)CC1 ZINC001113422470 802220072 /nfs/dbraw/zinc/22/00/72/802220072.db2.gz PLTNHMCHJRNBCW-CABCVRRESA-N 1 1 280.456 3.025 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)CCCC ZINC001113913697 802236477 /nfs/dbraw/zinc/23/64/77/802236477.db2.gz QSLNQZWFXIKNKV-NCOADZHNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)c3ccccc3C)C[C@H]21 ZINC001114010193 802236585 /nfs/dbraw/zinc/23/65/85/802236585.db2.gz WVFCEMJBDMTZSG-NWGLXNPWSA-N 1 1 298.430 3.069 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC(C)(C)C ZINC001114047307 802237555 /nfs/dbraw/zinc/23/75/55/802237555.db2.gz CYZOHXPRFBMOOQ-QLPKVWCKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)C(C)C ZINC001114912285 802247553 /nfs/dbraw/zinc/24/75/53/802247553.db2.gz CPXIVKIJJXOJIG-MWDXBVQZSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@](C)(CC)CCC ZINC001115029618 802250953 /nfs/dbraw/zinc/25/09/53/802250953.db2.gz ACMRMXFQCUNOGT-LHHMISFZSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)CCCCCC ZINC001115106741 802252819 /nfs/dbraw/zinc/25/28/19/802252819.db2.gz ZXFQISPCHIUWMS-CBZIJGRNSA-N 1 1 292.467 3.215 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)C ZINC001115154417 802252864 /nfs/dbraw/zinc/25/28/64/802252864.db2.gz KHGIWIFOKAXYAA-FICVDOATSA-N 1 1 280.456 3.049 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](CC)C(C)C ZINC001115145877 802253147 /nfs/dbraw/zinc/25/31/47/802253147.db2.gz PNGSSLNVVAYLMG-LISAXSMJSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)CCCCC ZINC001115274298 802255982 /nfs/dbraw/zinc/25/59/82/802255982.db2.gz UXDMJZRBDCXPFM-NCOADZHNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)[C@H](NCc1cc(C)[nH]n1)c1ccc(F)c(F)c1 ZINC001116672857 802394302 /nfs/dbraw/zinc/39/43/02/802394302.db2.gz KENJGJALUPZMOW-HNNXBMFYSA-N 1 1 277.318 3.403 20 30 CGEDMO C=C(C)[C@H]([NH2+]Cc1cc(C)n[nH]1)c1ccc(F)c(F)c1 ZINC001116672857 802394312 /nfs/dbraw/zinc/39/43/12/802394312.db2.gz KENJGJALUPZMOW-HNNXBMFYSA-N 1 1 277.318 3.403 20 30 CGEDMO C=CC[C@H]([NH2+]CC(C(C)C)C(C)C)C(=O)OCC ZINC001117081676 802432895 /nfs/dbraw/zinc/43/28/95/802432895.db2.gz OSTISFJTBADTMQ-AWEZNQCLSA-N 1 1 255.402 3.012 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CC[C@@H](OC(=O)OC(C)(C)C)C1 ZINC001172490971 808351157 /nfs/dbraw/zinc/35/11/57/808351157.db2.gz BEASDJVFUCURBE-CHWSQXEVSA-N 1 1 282.384 3.095 20 30 CGEDMO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](C)c1ccccc1 ZINC001273080239 808833557 /nfs/dbraw/zinc/83/35/57/808833557.db2.gz XHUUYXHGCLJDRI-CGTJXYLNSA-N 1 1 298.430 3.041 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](CC/C=C/c2ccccc2)C1 ZINC001117801084 802499068 /nfs/dbraw/zinc/49/90/68/802499068.db2.gz BWUFSILQNGTYCI-BHMZLHOFSA-N 1 1 257.377 3.367 20 30 CGEDMO N#CC1(CCCC[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)CCC1 ZINC001119684935 802691725 /nfs/dbraw/zinc/69/17/25/802691725.db2.gz JAGBQEISARQGJD-CVEARBPZSA-N 1 1 276.424 3.351 20 30 CGEDMO C[N@@H+](CCCCC1(C#N)CCC1)C[C@H]1CCCC[C@H]1O ZINC001119700661 802692778 /nfs/dbraw/zinc/69/27/78/802692778.db2.gz AFFYJPVQSVJLBU-HZPDHXFCSA-N 1 1 278.440 3.333 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CCCF)C1 ZINC001120347250 802741032 /nfs/dbraw/zinc/74/10/32/802741032.db2.gz FQGSCGBKHRJNCO-HOTGVXAUSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCCF)C1 ZINC001120423636 802744768 /nfs/dbraw/zinc/74/47/68/802744768.db2.gz VVWYGFZNOVGGIZ-CVEARBPZSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)c2ccoc2C)CC[C@@H]1C ZINC001131772610 803343017 /nfs/dbraw/zinc/34/30/17/803343017.db2.gz RDKGTZMBFVAJLV-DZGCQCFKSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)c2ccsc2)CC[C@@H]1C ZINC001131796413 803347012 /nfs/dbraw/zinc/34/70/12/803347012.db2.gz FMOCDVYMITZRFY-DZGCQCFKSA-N 1 1 292.448 3.297 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001131899944 803356579 /nfs/dbraw/zinc/35/65/79/803356579.db2.gz RGQWDKMGVXTCJH-DOTOQJQBSA-N 1 1 286.419 3.122 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)/C=C/C(C)(C)C)CC[C@H]1C ZINC001131912416 803357330 /nfs/dbraw/zinc/35/73/30/803357330.db2.gz XJJTYUBWGUYMBC-UWLACMPISA-N 1 1 278.440 3.134 20 30 CGEDMO C#CCCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC=C(C)C)C1 ZINC001131976434 803362782 /nfs/dbraw/zinc/36/27/82/803362782.db2.gz KMLJIBOJAIIKKT-DLBZAZTESA-N 1 1 290.451 3.115 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C(F)=C(C)C)CC[C@H]1C ZINC001131967581 803362906 /nfs/dbraw/zinc/36/29/06/803362906.db2.gz GHBYHVKAHBVKII-KGLIPLIRSA-N 1 1 282.403 3.185 20 30 CGEDMO C=CCCC[N@H+]1C[C@H](NC(=O)/C=C(/C)CC)CC[C@@H]1C ZINC001132041926 803369140 /nfs/dbraw/zinc/36/91/40/803369140.db2.gz NEKGXRMEHCMBGA-YNLMUAPZSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=C)C)C1 ZINC001132056986 803369653 /nfs/dbraw/zinc/36/96/53/803369653.db2.gz ICPBBETWFUZVGF-NVXWUHKLSA-N 1 1 290.451 3.300 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C(CC=C)CC=C)CC[C@@H]1C ZINC001132056673 803370206 /nfs/dbraw/zinc/37/02/06/803370206.db2.gz BGRFTYALBGJYLK-DOTOQJQBSA-N 1 1 290.451 3.300 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=C)C)C1 ZINC001132060125 803370849 /nfs/dbraw/zinc/37/08/49/803370849.db2.gz ACNVGKVUTHIBEE-LSDHHAIUSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C(C)(C)C(=C)Cl)CC[C@@H]1C ZINC001132079513 803372989 /nfs/dbraw/zinc/37/29/89/803372989.db2.gz ZSJUGUALUZWEMY-GXTWGEPZSA-N 1 1 298.858 3.310 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C2(CC(C)C)CC2)CC[C@@H]1C ZINC001132086956 803373296 /nfs/dbraw/zinc/37/32/96/803373296.db2.gz KYHHJNAXUJHETG-HOTGVXAUSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(=C)Cl)CC[C@@H]1C ZINC001132079514 803373474 /nfs/dbraw/zinc/37/34/74/803373474.db2.gz ZSJUGUALUZWEMY-JSGCOSHPSA-N 1 1 298.858 3.310 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCCC)C1 ZINC001132255627 803389019 /nfs/dbraw/zinc/38/90/19/803389019.db2.gz BXYUVTAFFRIOIB-LSDHHAIUSA-N 1 1 266.429 3.112 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CCCF)C2)CCC1 ZINC001132281812 803389808 /nfs/dbraw/zinc/38/98/08/803389808.db2.gz FSWFVBLEMLSOFP-LSDHHAIUSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C2(CC=C)CCC2)CC[C@H]1C ZINC001132282369 803391648 /nfs/dbraw/zinc/39/16/48/803391648.db2.gz KDCALUWLMPENNS-HZPDHXFCSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CCF)C2)CCCC1 ZINC001132545553 803413244 /nfs/dbraw/zinc/41/32/44/803413244.db2.gz CHBLITYXSOKMPX-CABCVRRESA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CCF)C2)CCCC1 ZINC001132545553 803413245 /nfs/dbraw/zinc/41/32/45/803413245.db2.gz CHBLITYXSOKMPX-CABCVRRESA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1[nH]c(C)c(CCC(=O)OC)c1C ZINC001136921226 803659772 /nfs/dbraw/zinc/65/97/72/803659772.db2.gz VZNJPLIFCQFUQV-UHFFFAOYSA-N 1 1 292.423 3.135 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2nc3ccccc3s2)CC1 ZINC001136954869 803662281 /nfs/dbraw/zinc/66/22/81/803662281.db2.gz GLZQOPVEUOJHCJ-GFCCVEGCSA-N 1 1 271.389 3.422 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2nc3ccccc3s2)CC1 ZINC001136954869 803662283 /nfs/dbraw/zinc/66/22/83/803662283.db2.gz GLZQOPVEUOJHCJ-GFCCVEGCSA-N 1 1 271.389 3.422 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccc2nccnc2c1 ZINC001137090914 803681989 /nfs/dbraw/zinc/68/19/89/803681989.db2.gz BPHXMNCLHOIGEE-UHFFFAOYSA-N 1 1 255.365 3.418 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccc(C(=O)OC)cc1OC ZINC001137455003 803734435 /nfs/dbraw/zinc/73/44/35/803734435.db2.gz APWNDYVFQGNCID-UHFFFAOYSA-N 1 1 291.391 3.270 20 30 CGEDMO COc1ccc(C[N@@H+](C)CCc2ccccc2)c(C#N)c1 ZINC001137698021 803759131 /nfs/dbraw/zinc/75/91/31/803759131.db2.gz GISCIKCWYXLFJF-UHFFFAOYSA-N 1 1 280.371 3.241 20 30 CGEDMO CC[C@@H]1CCCC[N@H+]1Cc1ccc(OC)cc1C#N ZINC001137704535 803760500 /nfs/dbraw/zinc/76/05/00/803760500.db2.gz KJHNUIBAZBLTOT-OAHLLOKOSA-N 1 1 258.365 3.331 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@@H](CC)C2)cc1OC ZINC001138346438 803898523 /nfs/dbraw/zinc/89/85/23/803898523.db2.gz BZCHINWUGNPYFB-OAHLLOKOSA-N 1 1 287.403 3.329 20 30 CGEDMO C#CCOc1ccc(C[N@@H+](CC=C)C(C)(C)C)cc1OC ZINC001138346506 803899465 /nfs/dbraw/zinc/89/94/65/803899465.db2.gz FUWYURHPUOBDQM-UHFFFAOYSA-N 1 1 287.403 3.494 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)cc1OC ZINC001138348464 803901126 /nfs/dbraw/zinc/90/11/26/803901126.db2.gz JWDNEGNPLNNTRM-SJORKVTESA-N 1 1 299.414 3.472 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(OCC)cc2C)C1 ZINC001138435774 803933371 /nfs/dbraw/zinc/93/33/71/803933371.db2.gz MWOLZDCAJFZIJM-OAHLLOKOSA-N 1 1 257.377 3.239 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@H](F)CC2)cc1 ZINC001138556062 803965903 /nfs/dbraw/zinc/96/59/03/803965903.db2.gz DIVBJKILXCPNFG-HNNXBMFYSA-N 1 1 261.340 3.023 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CC[C@H](C)C[C@@H]2C)cc1 ZINC001138557439 803966163 /nfs/dbraw/zinc/96/61/63/803966163.db2.gz LDFGKFUVQNGPKK-GJZGRUSLSA-N 1 1 257.377 3.319 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@@H](C)CC2)cc1 ZINC001138556283 803967111 /nfs/dbraw/zinc/96/71/11/803967111.db2.gz NLWJDKODBUGZDC-OAHLLOKOSA-N 1 1 257.377 3.321 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCCC[C@H](C)C2)cc1 ZINC001138556375 803967172 /nfs/dbraw/zinc/96/71/72/803967172.db2.gz SKCUZIKGYBJDMI-HNNXBMFYSA-N 1 1 257.377 3.321 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CCC[C@@H](F)CC2)c1O ZINC001138624355 803982981 /nfs/dbraw/zinc/98/29/81/803982981.db2.gz FICJUMFKGHUAHT-OAHLLOKOSA-N 1 1 263.356 3.445 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1C[C@H](CO)CC[C@H]1C ZINC001138661699 803994701 /nfs/dbraw/zinc/99/47/01/803994701.db2.gz FDZJGRYFNYRPNT-HZPDHXFCSA-N 1 1 289.419 3.234 20 30 CGEDMO C=C(C)COc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001138663562 803997878 /nfs/dbraw/zinc/99/78/78/803997878.db2.gz YAZHMHMDHGFRQQ-HUUCEWRRSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CC[N@@H+](Cc1ccnn1[C@H]1CCCCO1)C(C)(C)C ZINC001138788023 804041028 /nfs/dbraw/zinc/04/10/28/804041028.db2.gz DQUYQMBKKHZWGB-OAHLLOKOSA-N 1 1 277.412 3.369 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC001138882589 804062390 /nfs/dbraw/zinc/06/23/90/804062390.db2.gz KJOVLUBWMFCIPX-ZDUSSCGKSA-N 1 1 298.365 3.341 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[NH2+]C[C@H](N)C(C)C ZINC001246003788 804097347 /nfs/dbraw/zinc/09/73/47/804097347.db2.gz NXUCZIXMBGSEGD-SJORKVTESA-N 1 1 286.504 3.451 20 30 CGEDMO CCCCCCCCCC[C@@H](O)CNC[C@H]([NH3+])C(C)C ZINC001246003788 804097354 /nfs/dbraw/zinc/09/73/54/804097354.db2.gz NXUCZIXMBGSEGD-SJORKVTESA-N 1 1 286.504 3.451 20 30 CGEDMO CCCCCCCC[C@H](O)CN1CCC2(CCC[NH2+]2)CC1 ZINC001246025321 804100625 /nfs/dbraw/zinc/10/06/25/804100625.db2.gz HHOQBVCIAOMROQ-KRWDZBQOSA-N 1 1 296.499 3.316 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCCC12CC[NH2+]CC2 ZINC001246034321 804102221 /nfs/dbraw/zinc/10/22/21/804102221.db2.gz PEXUOLUCPBDGSY-QGZVFWFLSA-N 1 1 294.483 3.092 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[N@H+]1CC[NH2+]C[C@@H](C)C1 ZINC001246034251 804102600 /nfs/dbraw/zinc/10/26/00/804102600.db2.gz XAVFTLBUCUUKSD-MSOLQXFVSA-N 1 1 298.515 3.419 20 30 CGEDMO CCCCCCCCCC[C@H](O)CN1CC[NH2+]C[C@@H](C)C1 ZINC001246034251 804102607 /nfs/dbraw/zinc/10/26/07/804102607.db2.gz XAVFTLBUCUUKSD-MSOLQXFVSA-N 1 1 298.515 3.419 20 30 CGEDMO CCCCCCCC[C@H](O)CN(C)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001246059881 804105348 /nfs/dbraw/zinc/10/53/48/804105348.db2.gz CBNLYXVKYNJHHY-YESZJQIVSA-N 1 1 284.488 3.300 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+]1CCN[C@@H](CCC)C1 ZINC001246068479 804108914 /nfs/dbraw/zinc/10/89/14/804108914.db2.gz HTFBDHAPVFRKLA-DLBZAZTESA-N 1 1 284.488 3.172 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCN[C@@H](CCC)C1 ZINC001246068479 804108917 /nfs/dbraw/zinc/10/89/17/804108917.db2.gz HTFBDHAPVFRKLA-DLBZAZTESA-N 1 1 284.488 3.172 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@](C)(O)[C@H](C)C1 ZINC001139028753 804112044 /nfs/dbraw/zinc/11/20/44/804112044.db2.gz BBVKWLCOHDGUPQ-QAPCUYQASA-N 1 1 289.419 3.234 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H]1c1cnccn1 ZINC001139029548 804113665 /nfs/dbraw/zinc/11/36/65/804113665.db2.gz DBNWMKUJYATKQN-QGZVFWFLSA-N 1 1 295.386 3.379 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@@H]1c1cnccn1 ZINC001139029548 804113673 /nfs/dbraw/zinc/11/36/73/804113673.db2.gz DBNWMKUJYATKQN-QGZVFWFLSA-N 1 1 295.386 3.379 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@H](CF)C1 ZINC001139029788 804114742 /nfs/dbraw/zinc/11/47/42/804114742.db2.gz NVKPPRMHXQFYMB-CQSZACIVSA-N 1 1 263.356 3.433 20 30 CGEDMO Cn1ccc2c1cccc2C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001139160407 804145136 /nfs/dbraw/zinc/14/51/36/804145136.db2.gz XUTPYSWXVBDMKB-MKZZRHPPSA-N 1 1 279.387 3.445 20 30 CGEDMO Cn1ccc2cc(C[N@H+]3CCC[C@@H](C#N)CC3)ccc21 ZINC001139189493 804153839 /nfs/dbraw/zinc/15/38/39/804153839.db2.gz FDKFCSOBQLWRAV-CQSZACIVSA-N 1 1 267.376 3.304 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2c[nH]c3cccc(C)c23)C1 ZINC001139196746 804156834 /nfs/dbraw/zinc/15/68/34/804156834.db2.gz TXHZRZJVFOFWBZ-AWEZNQCLSA-N 1 1 252.361 3.322 20 30 CGEDMO CC[N@@H+](CCOC)Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139400160 804187145 /nfs/dbraw/zinc/18/71/45/804187145.db2.gz ISUJEWZHURJTGW-UHFFFAOYSA-N 1 1 295.386 3.089 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2Cc2ccccn2)cc1F ZINC001139527265 804202148 /nfs/dbraw/zinc/20/21/48/804202148.db2.gz CWGSUXDWRYKVGJ-KRWDZBQOSA-N 1 1 295.361 3.299 20 30 CGEDMO CCCCCCCC[C@@H](CC)[NH2+][C@@H]1CCNC[C@H]1OC ZINC001246219390 804213416 /nfs/dbraw/zinc/21/34/16/804213416.db2.gz YNMSTVUQOCULSW-BRWVUGGUSA-N 1 1 284.488 3.482 20 30 CGEDMO C[C@]1(CO)CCC[N@@H+](Cc2c[nH]c3c2cccc3C#N)CC1 ZINC001139702081 804258319 /nfs/dbraw/zinc/25/83/19/804258319.db2.gz VIRIBPKMMXZZPV-SFHVURJKSA-N 1 1 297.402 3.024 20 30 CGEDMO CC(C)[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(C#N)c1 ZINC001246299764 804265955 /nfs/dbraw/zinc/26/59/55/804265955.db2.gz KRAVMNBXGLSWRH-UJJTZGENSA-N 1 1 283.419 3.128 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@@H](F)C(F)(F)CC2)cc1C#N ZINC001139723188 804266603 /nfs/dbraw/zinc/26/66/03/804266603.db2.gz UVZCJJXOBWAMNR-CQSZACIVSA-N 1 1 282.309 3.436 20 30 CGEDMO C=CCn1cc(C[N@@H+]2CCC[C@@H]2c2ccc(OC)cc2)cn1 ZINC001139770097 804277792 /nfs/dbraw/zinc/27/77/92/804277792.db2.gz CKHMHBUCZJVZRH-GOSISDBHSA-N 1 1 297.402 3.415 20 30 CGEDMO C=CCn1cc(C[N@@H+]2CC[C@@H]2c2ccccc2)cn1 ZINC001139772551 804278066 /nfs/dbraw/zinc/27/80/66/804278066.db2.gz KFIXBBKKVQMAOQ-MRXNPFEDSA-N 1 1 253.349 3.016 20 30 CGEDMO C=CCn1cc(C[N@H+]2CC[C@@H]2c2ccccc2)cn1 ZINC001139772551 804278073 /nfs/dbraw/zinc/27/80/73/804278073.db2.gz KFIXBBKKVQMAOQ-MRXNPFEDSA-N 1 1 253.349 3.016 20 30 CGEDMO C=CCn1cc(C[N@@H+]2Cc3ccccc3C[C@H]2C)cn1 ZINC001139770866 804278874 /nfs/dbraw/zinc/27/88/74/804278874.db2.gz DVYKGGIYACKTMT-CQSZACIVSA-N 1 1 267.376 3.016 20 30 CGEDMO N#Cc1cc(F)cc(C[N@H+]2CCC[C@@H](c3ccccn3)C2)c1 ZINC001139874979 804305288 /nfs/dbraw/zinc/30/52/88/804305288.db2.gz DXXIKSXDZZDYRQ-MRXNPFEDSA-N 1 1 295.361 3.472 20 30 CGEDMO CCCCCCCCC[C@@H](CCC)[NH2+][C@H]1CNC[C@@H]1N ZINC001246446910 804335453 /nfs/dbraw/zinc/33/54/53/804335453.db2.gz OUEDONAJZXCVSB-IKGGRYGDSA-N 1 1 283.504 3.185 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001246459807 804340069 /nfs/dbraw/zinc/34/00/69/804340069.db2.gz GSIAGVICKLARJM-DNVCBOLYSA-N 1 1 297.446 3.001 20 30 CGEDMO C[N@@H+](CCc1cccnc1)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140114951 804381468 /nfs/dbraw/zinc/38/14/68/804381468.db2.gz HHNQZWMKBPABSC-UHFFFAOYSA-N 1 1 290.370 3.109 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cnc(-c2ccccc2F)nc1 ZINC001140399924 804428556 /nfs/dbraw/zinc/42/85/56/804428556.db2.gz MRQWGDVOGAACGS-UHFFFAOYSA-N 1 1 283.350 3.457 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)cn1 ZINC001140543609 804458158 /nfs/dbraw/zinc/45/81/58/804458158.db2.gz CSUNHLIBKAKSTH-HOCLYGCPSA-N 1 1 255.365 3.108 20 30 CGEDMO CCCCCCC[C@@H](C)N1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC001246647700 804475805 /nfs/dbraw/zinc/47/58/05/804475805.db2.gz VERLSZZJTUNFAX-MSOLQXFVSA-N 1 1 296.499 3.437 20 30 CGEDMO COc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001140728526 804500130 /nfs/dbraw/zinc/50/01/30/804500130.db2.gz CEVPZCZRZCAUJC-LBPRGKRZSA-N 1 1 278.783 3.474 20 30 CGEDMO COc1cccc(Cl)c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001140728526 804500133 /nfs/dbraw/zinc/50/01/33/804500133.db2.gz CEVPZCZRZCAUJC-LBPRGKRZSA-N 1 1 278.783 3.474 20 30 CGEDMO C[N@@H+](Cc1cc(F)c(C#N)c(F)c1)CC(C)(C)C ZINC001140754100 804506529 /nfs/dbraw/zinc/50/65/29/804506529.db2.gz PADNQKWZDQCQKB-UHFFFAOYSA-N 1 1 252.308 3.314 20 30 CGEDMO CC[N@H+](Cc1cccnc1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140754384 804506596 /nfs/dbraw/zinc/50/65/96/804506596.db2.gz XQSODWZHASBKKH-UHFFFAOYSA-N 1 1 287.313 3.254 20 30 CGEDMO CC[N@@H+](Cc1cccnc1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140754384 804506600 /nfs/dbraw/zinc/50/66/00/804506600.db2.gz XQSODWZHASBKKH-UHFFFAOYSA-N 1 1 287.313 3.254 20 30 CGEDMO CC[N@H+](Cc1cc(F)c(C#N)c(F)c1)Cc1ccccn1 ZINC001140754492 804506681 /nfs/dbraw/zinc/50/66/81/804506681.db2.gz BGAYZAGBBOOIQQ-UHFFFAOYSA-N 1 1 287.313 3.254 20 30 CGEDMO CC[N@@H+](Cc1cc(F)c(C#N)c(F)c1)Cc1ccccn1 ZINC001140754492 804506685 /nfs/dbraw/zinc/50/66/85/804506685.db2.gz BGAYZAGBBOOIQQ-UHFFFAOYSA-N 1 1 287.313 3.254 20 30 CGEDMO CCCCCCCCCC[C@@H](C)[N@H+]1CCN[C@@H](CO)C1 ZINC001246795292 804517023 /nfs/dbraw/zinc/51/70/23/804517023.db2.gz IJRROWYYIVYEGO-IAGOWNOFSA-N 1 1 284.488 3.172 20 30 CGEDMO CCCCCCCCCC[C@@H](C)N1CC[NH2+][C@@H](CO)C1 ZINC001246795292 804517028 /nfs/dbraw/zinc/51/70/28/804517028.db2.gz IJRROWYYIVYEGO-IAGOWNOFSA-N 1 1 284.488 3.172 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H]3CCCO[C@H]3C2)c1Cl ZINC001140808628 804525448 /nfs/dbraw/zinc/52/54/48/804525448.db2.gz XIUFIFGGIBZRAY-WFASDCNBSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)c1Cl ZINC001140808628 804525454 /nfs/dbraw/zinc/52/54/54/804525454.db2.gz XIUFIFGGIBZRAY-WFASDCNBSA-N 1 1 290.794 3.213 20 30 CGEDMO Cc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)c(O)c1 ZINC001140949985 804555404 /nfs/dbraw/zinc/55/54/04/804555404.db2.gz PRZWCDHBXVHSHW-UHFFFAOYSA-N 1 1 266.344 3.204 20 30 CGEDMO COc1ccccc1CC[N@@H+](C)C1CCC(C#N)CC1 ZINC001256969677 807021088 /nfs/dbraw/zinc/02/10/88/807021088.db2.gz MRJCUTAAVMOBBA-UHFFFAOYSA-N 1 1 272.392 3.252 20 30 CGEDMO Cc1ccn2cc(C[N@H+](C)C3CCC(C#N)CC3)nc2c1 ZINC001256970983 807021332 /nfs/dbraw/zinc/02/13/32/807021332.db2.gz IOBJZNNRBKVIEX-UHFFFAOYSA-N 1 1 282.391 3.157 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cc(O)ccc1O ZINC001141161806 804601975 /nfs/dbraw/zinc/60/19/75/804601975.db2.gz YUPCHQYATJVKGI-UHFFFAOYSA-N 1 1 269.344 3.286 20 30 CGEDMO CCCCCCC[C@@H](CC(C)C)[N@H+]1C[C@@H](N)C[C@@H]1CO ZINC001246939316 804609797 /nfs/dbraw/zinc/60/97/97/804609797.db2.gz RMDUSLRIXBQHKI-YESZJQIVSA-N 1 1 284.488 3.156 20 30 CGEDMO C=CC[N@@H+](C1CCCCC1)[C@H]1CC[NH2+][C@@H](CC)C1 ZINC001246944841 804612025 /nfs/dbraw/zinc/61/20/25/804612025.db2.gz CYPMKPBPLDSWET-HOCLYGCPSA-N 1 1 250.430 3.338 20 30 CGEDMO CN(C)c1cccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1 ZINC001141268680 804625843 /nfs/dbraw/zinc/62/58/43/804625843.db2.gz ZFJSFHDHNNFKLK-XGBSXSJOSA-N 1 1 269.392 3.019 20 30 CGEDMO N#C[C@@H]1CC[N@@H+](Cc2c[nH]c3cc(Cl)ccc23)C1 ZINC001141586195 804656259 /nfs/dbraw/zinc/65/62/59/804656259.db2.gz WMMDRMPDENCRDR-JTQLQIEISA-N 1 1 259.740 3.167 20 30 CGEDMO N#C[C@@H]1CC[N@H+](Cc2c[nH]c3cc(Cl)ccc23)C1 ZINC001141586195 804656264 /nfs/dbraw/zinc/65/62/64/804656264.db2.gz WMMDRMPDENCRDR-JTQLQIEISA-N 1 1 259.740 3.167 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2ccc3cc(F)ccc3n2)C1 ZINC001141649350 804661000 /nfs/dbraw/zinc/66/10/00/804661000.db2.gz SJCLZHWILPJHOP-CYBMUJFWSA-N 1 1 283.350 3.500 20 30 CGEDMO CSc1nc(C[NH+]2CC(c3ccccc3)C2)ccc1C#N ZINC001141941365 804680864 /nfs/dbraw/zinc/68/08/64/804680864.db2.gz GSWIZOZBTQONLE-UHFFFAOYSA-N 1 1 295.411 3.275 20 30 CGEDMO CSc1nc(C[N@H+]2CCC[C@H]2C(C)C)ccc1C#N ZINC001141943571 804682246 /nfs/dbraw/zinc/68/22/46/804682246.db2.gz AHZWDSANPRYAAX-AWEZNQCLSA-N 1 1 275.421 3.296 20 30 CGEDMO C[C@@H](Cc1ccccc1Br)[NH+]1CC(CC#N)C1 ZINC001256837199 806990493 /nfs/dbraw/zinc/99/04/93/806990493.db2.gz BNLIVCRFVYUSQB-NSHDSACASA-N 1 1 293.208 3.226 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2ccc(F)c(CC)c2)no1 ZINC001247623099 804784504 /nfs/dbraw/zinc/78/45/04/804784504.db2.gz XMGXPMXPFYSZCW-ZDUSSCGKSA-N 1 1 275.327 3.404 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)C2(CC2)C1 ZINC001142926381 804784656 /nfs/dbraw/zinc/78/46/56/804784656.db2.gz PWPFGXUXIXLWJI-GFCCVEGCSA-N 1 1 265.360 3.414 20 30 CGEDMO CO[C@H]1CCC[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)CC1 ZINC001142922659 804784996 /nfs/dbraw/zinc/78/49/96/804784996.db2.gz PTDYAYNPSZGGAE-HNNXBMFYSA-N 1 1 283.375 3.040 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(-c2ccccc2)nn1C ZINC001143015223 804794657 /nfs/dbraw/zinc/79/46/57/804794657.db2.gz GFOTZDCPASDJND-UHFFFAOYSA-N 1 1 269.392 3.485 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)Cc1cc2c(cn1)OCCO2 ZINC001143066686 804798352 /nfs/dbraw/zinc/79/83/52/804798352.db2.gz AJIFVZZGKYMCNI-UHFFFAOYSA-N 1 1 296.370 3.041 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cc2c(cn1)OCCO2 ZINC001143066686 804798358 /nfs/dbraw/zinc/79/83/58/804798358.db2.gz AJIFVZZGKYMCNI-UHFFFAOYSA-N 1 1 296.370 3.041 20 30 CGEDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC001143156093 804811483 /nfs/dbraw/zinc/81/14/83/804811483.db2.gz DJGJYPZJHVCGSU-AWEZNQCLSA-N 1 1 258.365 3.129 20 30 CGEDMO C[N@@H+](Cc1c(F)ccc(C#N)c1F)CC1CCC1 ZINC001143172982 804815144 /nfs/dbraw/zinc/81/51/44/804815144.db2.gz IZACLXWCARKQRN-UHFFFAOYSA-N 1 1 250.292 3.068 20 30 CGEDMO C[N@H+](Cc1c(F)ccc(C#N)c1F)CC1CCC1 ZINC001143172982 804815149 /nfs/dbraw/zinc/81/51/49/804815149.db2.gz IZACLXWCARKQRN-UHFFFAOYSA-N 1 1 250.292 3.068 20 30 CGEDMO C[C@H]1C[C@H](C)C[NH+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143174106 804816061 /nfs/dbraw/zinc/81/60/61/804816061.db2.gz LZHHBVHEYVKAEN-QWRGUYRKSA-N 1 1 264.319 3.314 20 30 CGEDMO Cc1cc(-c2noc([C@H]3CCCC[N@H+]3C)n2)ccc1C#N ZINC001247750924 804817499 /nfs/dbraw/zinc/81/74/99/804817499.db2.gz IETNKBBCVHEBFS-CQSZACIVSA-N 1 1 282.347 3.074 20 30 CGEDMO Cc1cc(-c2noc([C@H]3CCCC[N@@H+]3C)n2)ccc1C#N ZINC001247750924 804817506 /nfs/dbraw/zinc/81/75/06/804817506.db2.gz IETNKBBCVHEBFS-CQSZACIVSA-N 1 1 282.347 3.074 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(C(F)(F)F)c(OC)c1 ZINC001143349489 804837284 /nfs/dbraw/zinc/83/72/84/804837284.db2.gz HOOULQBPDDMMJS-UHFFFAOYSA-N 1 1 259.271 3.332 20 30 CGEDMO Cc1cc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)cc(C)c1F ZINC001143374106 804839540 /nfs/dbraw/zinc/83/95/40/804839540.db2.gz LRYDKXQCIDRLPV-AWEZNQCLSA-N 1 1 291.391 3.217 20 30 CGEDMO Cc1cc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)cc(C)c1F ZINC001143374106 804839544 /nfs/dbraw/zinc/83/95/44/804839544.db2.gz LRYDKXQCIDRLPV-AWEZNQCLSA-N 1 1 291.391 3.217 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2cc(Cl)c(F)cc2F)no1 ZINC001247966601 804859270 /nfs/dbraw/zinc/85/92/70/804859270.db2.gz BBECEFWJDBVOPA-JTQLQIEISA-N 1 1 285.681 3.244 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cc(Br)c(C)cn1 ZINC001143663014 804883115 /nfs/dbraw/zinc/88/31/15/804883115.db2.gz SUNCJVQBMFJUIZ-UHFFFAOYSA-N 1 1 281.197 3.327 20 30 CGEDMO C[C@]1(CO)CCC[N@H+](Cc2c(Cl)cccc2C#N)CC1 ZINC001143716256 804886939 /nfs/dbraw/zinc/88/69/39/804886939.db2.gz JJXVHUCWBLACEN-INIZCTEOSA-N 1 1 292.810 3.196 20 30 CGEDMO C[C@]1(CO)CCC[N@@H+](Cc2c(Cl)cccc2C#N)CC1 ZINC001143716256 804886948 /nfs/dbraw/zinc/88/69/48/804886948.db2.gz JJXVHUCWBLACEN-INIZCTEOSA-N 1 1 292.810 3.196 20 30 CGEDMO C[C@]1(CF)CC[N@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143716227 804887628 /nfs/dbraw/zinc/88/76/28/804887628.db2.gz HUUCWTVMEZHKCQ-CQSZACIVSA-N 1 1 266.747 3.393 20 30 CGEDMO C[C@]1(CF)CC[N@@H+](Cc2c(Cl)cccc2C#N)C1 ZINC001143716227 804887636 /nfs/dbraw/zinc/88/76/36/804887636.db2.gz HUUCWTVMEZHKCQ-CQSZACIVSA-N 1 1 266.747 3.393 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(N[C@@H](C)CCO)cc1 ZINC001165965955 807028921 /nfs/dbraw/zinc/02/89/21/807028921.db2.gz IBMAGFHSCNKVHR-YOEHRIQHSA-N 1 1 274.408 3.192 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cc(Cl)cn2ccnc12 ZINC001248447421 804933397 /nfs/dbraw/zinc/93/33/97/804933397.db2.gz MVIITZDQCKVASA-UHFFFAOYSA-N 1 1 261.756 3.162 20 30 CGEDMO C[N@@H+](CCc1cccc(Cl)c1)Cc1cncc(C#N)c1 ZINC001144079605 804934280 /nfs/dbraw/zinc/93/42/80/804934280.db2.gz WVWSCNQVZPLREH-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(C#N)cn1 ZINC001144163330 804946501 /nfs/dbraw/zinc/94/65/01/804946501.db2.gz BHODOKNYXFJXEE-UHFFFAOYSA-N 1 1 269.323 3.114 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC=C(c3ccccc3)CC2)nc1 ZINC001144163466 804947146 /nfs/dbraw/zinc/94/71/46/804947146.db2.gz HCTIBNWMBWCCKA-UHFFFAOYSA-N 1 1 275.355 3.243 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC=C(c3ccccc3)CC2)nc1 ZINC001144163466 804947149 /nfs/dbraw/zinc/94/71/49/804947149.db2.gz HCTIBNWMBWCCKA-UHFFFAOYSA-N 1 1 275.355 3.243 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001248748294 804982402 /nfs/dbraw/zinc/98/24/02/804982402.db2.gz DXSDQMSELLWPHY-ZWKOTPCHSA-N 1 1 284.403 3.122 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CC[C@H](C)[C@](C)(O)CC1 ZINC001248748453 804982937 /nfs/dbraw/zinc/98/29/37/804982937.db2.gz KFOCMVAPSRZDLN-KBXCAEBGSA-N 1 1 286.419 3.104 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1c[nH]c2nc(Cl)ccc12 ZINC001144414829 804984325 /nfs/dbraw/zinc/98/43/25/804984325.db2.gz VPQPZENEZVSFNB-UHFFFAOYSA-N 1 1 276.771 3.342 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1C[C@H](C)CC12CC2 ZINC001248752715 804984135 /nfs/dbraw/zinc/98/41/35/804984135.db2.gz XIQNQTGVBPNKPD-CYBMUJFWSA-N 1 1 254.377 3.495 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1c[nH]c2nc(Cl)ccc12 ZINC001144414829 804984318 /nfs/dbraw/zinc/98/43/18/804984318.db2.gz VPQPZENEZVSFNB-UHFFFAOYSA-N 1 1 276.771 3.342 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H]2CC(=O)OC(C)(C)C)cc1 ZINC001144578726 805008527 /nfs/dbraw/zinc/00/85/27/805008527.db2.gz KVZDWXMMFFWYIN-QGZVFWFLSA-N 1 1 299.414 3.364 20 30 CGEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)[C@H](CC)CCCC)C2)C1 ZINC001147039971 805105982 /nfs/dbraw/zinc/10/59/82/805105982.db2.gz IRFSBMAYHVXTFM-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)C[C@H](C)C(C)C)C2)C1 ZINC001147246024 805117707 /nfs/dbraw/zinc/11/77/07/805117707.db2.gz PRFFQMCAZVWNMX-INIZCTEOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+](Cc1nc2cc(OC)ccc2[nH]1)C(C)(C)C ZINC001249416005 805145411 /nfs/dbraw/zinc/14/54/11/805145411.db2.gz WKJRBLWHKAPQQQ-UHFFFAOYSA-N 1 1 273.380 3.358 20 30 CGEDMO CCC[N@@H+](Cc1cc2ccc(C#N)cc2[nH]1)C1CCOCC1 ZINC001249430534 805148780 /nfs/dbraw/zinc/14/87/80/805148780.db2.gz WNFQILVZSZMLEX-UHFFFAOYSA-N 1 1 297.402 3.431 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@H](C)C(C)C)C2)C1 ZINC001148371808 805177835 /nfs/dbraw/zinc/17/78/35/805177835.db2.gz PHHVEUHAAUOZGG-JKSUJKDBSA-N 1 1 292.467 3.168 20 30 CGEDMO N#CCc1cccc(Nc2cc[nH+]cc2C(F)(F)F)c1 ZINC001249592481 805184672 /nfs/dbraw/zinc/18/46/72/805184672.db2.gz DYENEGDAKQPMIP-UHFFFAOYSA-N 1 1 277.249 3.332 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(CN(C(=O)CC[C@H](C)CC)C2)C1 ZINC001148484638 805188357 /nfs/dbraw/zinc/18/83/57/805188357.db2.gz KWYVWWJSNCKJEZ-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@](C)(CC)CCC)C2)C1 ZINC001148493367 805189377 /nfs/dbraw/zinc/18/93/77/805189377.db2.gz VOIFCXDHHJNNJA-KRWDZBQOSA-N 1 1 292.467 3.313 20 30 CGEDMO CCCCCCCCC(=O)NCC[NH2+]Cc1nccs1 ZINC001148728067 805207401 /nfs/dbraw/zinc/20/74/01/805207401.db2.gz UEBWOXDVQDMPPA-UHFFFAOYSA-N 1 1 297.468 3.100 20 30 CGEDMO C=CC[N@@H+]1CCC2(CN(C(=O)[C@H](CCCC)C(C)C)C2)C1 ZINC001148851940 805213290 /nfs/dbraw/zinc/21/32/90/805213290.db2.gz WHCGGGGCNDDALI-MRXNPFEDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)c1ccsc1 ZINC001151783988 805312762 /nfs/dbraw/zinc/31/27/62/805312762.db2.gz MKNSWHKROOCILE-CYBMUJFWSA-N 1 1 280.437 3.155 20 30 CGEDMO C=CCCC(=O)NC[C@@H](C)[N@@H+](CC)C[C@@H](C)CC(C)C ZINC001152313440 805344948 /nfs/dbraw/zinc/34/49/48/805344948.db2.gz LTVFUEAWRSQPDJ-JKSUJKDBSA-N 1 1 282.472 3.461 20 30 CGEDMO C#CCCCCC(=O)NC[C@@H](C)[N@@H+](CC)CCC(C)C ZINC001152841839 805372552 /nfs/dbraw/zinc/37/25/52/805372552.db2.gz KOKXUXOREDIGOQ-MRXNPFEDSA-N 1 1 280.456 3.053 20 30 CGEDMO C#CCCCC(=O)NC[C@@H](C)[N@@H+](CC)CC1=CCCCC1 ZINC001153024966 805380480 /nfs/dbraw/zinc/38/04/80/805380480.db2.gz IMQBMHWNTZTDNZ-MRXNPFEDSA-N 1 1 290.451 3.117 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)CC1(C)CCCC1 ZINC001153134258 805384871 /nfs/dbraw/zinc/38/48/71/805384871.db2.gz ZNTYXGTWZCAOON-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001153452289 805398317 /nfs/dbraw/zinc/39/83/17/805398317.db2.gz PMJLZYZDSZZSIN-QLFBSQMISA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)C12CCC(CC1)C2 ZINC001154029334 805429071 /nfs/dbraw/zinc/42/90/71/805429071.db2.gz JLCKHXKBVPHBJS-KLHKWILBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)CCCC(C)C ZINC001154605725 805467084 /nfs/dbraw/zinc/46/70/84/805467084.db2.gz OSFZIPSMATZNNP-OAHLLOKOSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)CC1CC(C)(C)C1 ZINC001154605889 805467914 /nfs/dbraw/zinc/46/79/14/805467914.db2.gz UCMCFWWWIJTNBP-CQSZACIVSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)C/C=C(/C)C=C ZINC001154676589 805477035 /nfs/dbraw/zinc/47/70/35/805477035.db2.gz KSMICPDKVORFQD-UVQBRAAOSA-N 1 1 278.440 3.302 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)CCC(C)C ZINC001154756557 805483285 /nfs/dbraw/zinc/48/32/85/805483285.db2.gz CRXMNHSTRXPJBR-CVEARBPZSA-N 1 1 282.472 3.461 20 30 CGEDMO CCN(Cc1ccccc1O)c1ccc(CC#N)c(C)[nH+]1 ZINC001154890845 805506300 /nfs/dbraw/zinc/50/63/00/805506300.db2.gz RTRUTJQMADHSGY-UHFFFAOYSA-N 1 1 281.359 3.188 20 30 CGEDMO C[N@H+]1CCC[C@@H](CCNc2nc3ccccc3cc2C#N)C1 ZINC001165261518 806982556 /nfs/dbraw/zinc/98/25/56/806982556.db2.gz RDJDVVQHGAQVRD-AWEZNQCLSA-N 1 1 294.402 3.250 20 30 CGEDMO N#CC1CCC([N@H+]2CCOC[C@@H]2c2ccccc2)CC1 ZINC001256963400 807016908 /nfs/dbraw/zinc/01/69/08/807016908.db2.gz GZSQETQXQDWRRB-BDVYOWHSSA-N 1 1 270.376 3.142 20 30 CGEDMO CC[C@H]1C[C@@H]([N@@H+](C)CCC#N)CCN1C(=O)OC(C)(C)C ZINC001257124140 807055078 /nfs/dbraw/zinc/05/50/78/807055078.db2.gz ZGPRMCYXYVEPFU-KBPBESRZSA-N 1 1 295.427 3.010 20 30 CGEDMO C=CCOC(=O)N[C@H]1CCC[N@H+]([C@@H](CC)CCCC)C1 ZINC001257427883 807152722 /nfs/dbraw/zinc/15/27/22/807152722.db2.gz BQQRFRSVHUUILG-GJZGRUSLSA-N 1 1 282.428 3.332 20 30 CGEDMO C#CC[N@H+](Cc1ccc(F)cc1)C[C@@H]1CCC2(CCC2)O1 ZINC001167273959 807174590 /nfs/dbraw/zinc/17/45/90/807174590.db2.gz WHYDJFSQTYHCLX-KRWDZBQOSA-N 1 1 287.378 3.363 20 30 CGEDMO CCCCC[C@H](C)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001257513284 807188452 /nfs/dbraw/zinc/18/84/52/807188452.db2.gz SCTMOZQDQUHOAR-WCQYABFASA-N 1 1 253.411 3.229 20 30 CGEDMO C#CC[N@@H+](CC#CC)Cc1cccc(Br)c1C ZINC001167504299 807201300 /nfs/dbraw/zinc/20/13/00/807201300.db2.gz JQRGNBBDOVWARV-UHFFFAOYSA-N 1 1 290.204 3.216 20 30 CGEDMO C#CC[N@H+](CC#CC)Cc1cccc(Br)c1C ZINC001167504299 807201305 /nfs/dbraw/zinc/20/13/05/807201305.db2.gz JQRGNBBDOVWARV-UHFFFAOYSA-N 1 1 290.204 3.216 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCCNc1nc(Cl)ccc1C#N ZINC001167749062 807240321 /nfs/dbraw/zinc/24/03/21/807240321.db2.gz WTPURKCBFGRLCM-GFCCVEGCSA-N 1 1 292.814 3.283 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCC4SC(=O)C=C4C3)C[C@H](C1)C2 ZINC001257890991 807241347 /nfs/dbraw/zinc/24/13/47/807241347.db2.gz CVYIKVKIIMUHIJ-MRKMAMSISA-N 1 1 289.444 3.395 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CC[C@@](C)(O)[C@H](C)C3)C[C@H](C1)C2 ZINC001257891069 807241421 /nfs/dbraw/zinc/24/14/21/807241421.db2.gz CWLPHSINWGSXLL-CTVHLWBWSA-N 1 1 263.425 3.214 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3C[C@H](C)C[C@H](C(=O)OC)C3)C[C@H](C1)C2 ZINC001257894906 807243985 /nfs/dbraw/zinc/24/39/85/807243985.db2.gz BXTQAZQRUDONSX-ILUDGRTOSA-N 1 1 291.435 3.252 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CC[C@@H](N(C)C4CC4)C3)C[C@H](C1)C2 ZINC001257894211 807244326 /nfs/dbraw/zinc/24/43/26/807244326.db2.gz NOWYIQQNTCMEFA-FZBAJKBMSA-N 1 1 274.452 3.290 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCN(C)C(C)(C)C3)C[C@H](C1)C2 ZINC001257894926 807245518 /nfs/dbraw/zinc/24/55/18/807245518.db2.gz CVINHRGTBFWFGV-XYPWUTKMSA-N 1 1 262.441 3.147 20 30 CGEDMO CCCCCCC[N@@H+](C)C1(C(=O)OC)CCCC1 ZINC001167772085 807247624 /nfs/dbraw/zinc/24/76/24/807247624.db2.gz FUEGBBOFINJFHU-UHFFFAOYSA-N 1 1 255.402 3.374 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+]([C@@H]2COc3ccc(Cl)cc3C2)C1 ZINC001257968220 807259076 /nfs/dbraw/zinc/25/90/76/807259076.db2.gz KASZNOPDVLYMRD-WFASDCNBSA-N 1 1 290.794 3.269 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+]([C@@H]2COc3ccc(Cl)cc3C2)C1 ZINC001257968220 807259081 /nfs/dbraw/zinc/25/90/81/807259081.db2.gz KASZNOPDVLYMRD-WFASDCNBSA-N 1 1 290.794 3.269 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1CCC[C@H]1C(=O)OC ZINC001258039866 807271253 /nfs/dbraw/zinc/27/12/53/807271253.db2.gz ZYXADZCHUDQQCS-KGLIPLIRSA-N 1 1 255.402 3.373 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1CCC(O)=C(C(=O)OCC)C1 ZINC001258044772 807273592 /nfs/dbraw/zinc/27/35/92/807273592.db2.gz UWGFUDZOWKGIJD-HUUCEWRRSA-N 1 1 297.439 3.190 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1CCC[C@]2(CCNC2=O)C1 ZINC001258043292 807273961 /nfs/dbraw/zinc/27/39/61/807273961.db2.gz AZZRQYISLWXJCQ-WBVHZDCISA-N 1 1 280.456 3.338 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1C[C@@H](F)C[C@H](CO)C1 ZINC001258043598 807274011 /nfs/dbraw/zinc/27/40/11/807274011.db2.gz DYZDINFVZBJOQG-KKUMJFAQSA-N 1 1 259.409 3.388 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC001258049330 807274998 /nfs/dbraw/zinc/27/49/98/807274998.db2.gz FDIKGHGNHIYSJZ-GOEBONIOSA-N 1 1 282.428 3.310 20 30 CGEDMO N#CC1(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCCC1 ZINC001167959882 807286088 /nfs/dbraw/zinc/28/60/88/807286088.db2.gz UAIPDMXYZVAAIW-ALOPSCKCSA-N 1 1 287.451 3.065 20 30 CGEDMO C=CC[C@@H]([NH2+][C@@H](C)C[C@H](C)CC(C)C)C(=O)OC ZINC001258067389 807286805 /nfs/dbraw/zinc/28/68/05/807286805.db2.gz SDWTWPAVYMITKH-HZSPNIEDSA-N 1 1 255.402 3.155 20 30 CGEDMO CC(C)(C)C#CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167972849 807290634 /nfs/dbraw/zinc/29/06/34/807290634.db2.gz CRNPFAAYOMYZIN-ALOPSCKCSA-N 1 1 274.452 3.031 20 30 CGEDMO CC(C)C[C@@](C)(C#N)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167977325 807290814 /nfs/dbraw/zinc/29/08/14/807290814.db2.gz BHUAREOMPASRCU-FBVQUNGASA-N 1 1 289.467 3.310 20 30 CGEDMO C=CC[N@H+]([C@@H](C)CCCC(=O)OCC)C(C)(C)C ZINC001258133632 807318535 /nfs/dbraw/zinc/31/85/35/807318535.db2.gz ZWPSAVWHYRWSRH-ZDUSSCGKSA-N 1 1 255.402 3.395 20 30 CGEDMO N#Cc1ccc(C2([NH2+]C3CCN(CC4CC4)CC3)CC2)cc1 ZINC001168360336 807392408 /nfs/dbraw/zinc/39/24/08/807392408.db2.gz OFTYPZKOBSMMCA-UHFFFAOYSA-N 1 1 295.430 3.011 20 30 CGEDMO N#CC12CCC([NH2+]C3CCN(CC4CC4)CC3)(CC1)CC2 ZINC001168361007 807393235 /nfs/dbraw/zinc/39/32/35/807393235.db2.gz YXEMUKPRCAAQGJ-UHFFFAOYSA-N 1 1 287.451 3.067 20 30 CGEDMO C=CCOC(=O)N[C@H]1CCC[N@H+]([C@H]2CCCC(C)(C)C2)C1 ZINC001258298132 807403378 /nfs/dbraw/zinc/40/33/78/807403378.db2.gz LCNRDTCOSQMHQH-GJZGRUSLSA-N 1 1 294.439 3.332 20 30 CGEDMO C=CC[N@H+](CCC(=O)Nc1ccc(C)c(F)c1)C1CC1 ZINC001168435676 807414132 /nfs/dbraw/zinc/41/41/32/807414132.db2.gz DABOEGGKCGQSNY-UHFFFAOYSA-N 1 1 276.355 3.113 20 30 CGEDMO N#C[C@@H]1CCC[N@H+]([C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168440047 807415881 /nfs/dbraw/zinc/41/58/81/807415881.db2.gz FOANARDZJXOJDO-CXAGYDPISA-N 1 1 272.367 3.309 20 30 CGEDMO CC[N@@H+](CCC#N)C1CCN(c2cccc(F)c2)CC1 ZINC001258423587 807445347 /nfs/dbraw/zinc/44/53/47/807445347.db2.gz LANFFYXJNHNDRC-UHFFFAOYSA-N 1 1 275.371 3.030 20 30 CGEDMO N#C[C@@H]1CCC[N@H+]([C@@H]2Cc3cccc(Cl)c3C2)CC1 ZINC001168734688 807498593 /nfs/dbraw/zinc/49/85/93/807498593.db2.gz KGHPOQFOAJKDRJ-TZMCWYRMSA-N 1 1 274.795 3.433 20 30 CGEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H]1CCC(C)(C)C1)C2 ZINC001258606329 807503675 /nfs/dbraw/zinc/50/36/75/807503675.db2.gz VPQKFDONPFLPEJ-XYJFISCASA-N 1 1 293.451 3.391 20 30 CGEDMO CCCCCCC[C@H](CC(C)C)[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC001258714134 807565445 /nfs/dbraw/zinc/56/54/45/807565445.db2.gz JASJMGGRVVNQMY-KZNAEPCWSA-N 1 1 299.499 3.437 20 30 CGEDMO CCCCCCC[C@H](CC(C)C)[N@@H+](CCN)CCO ZINC001258715520 807565498 /nfs/dbraw/zinc/56/54/98/807565498.db2.gz HIIBCOWTNRPGPS-MRXNPFEDSA-N 1 1 272.477 3.015 20 30 CGEDMO CCCCCCC[C@H](CC(C)C)N(CC[NH3+])CCO ZINC001258715520 807565507 /nfs/dbraw/zinc/56/55/07/807565507.db2.gz HIIBCOWTNRPGPS-MRXNPFEDSA-N 1 1 272.477 3.015 20 30 CGEDMO C=CCC[C@@H](C)[NH2+][C@@H](CCSC)C(=O)OC(C)(C)C ZINC001258718953 807567742 /nfs/dbraw/zinc/56/77/42/807567742.db2.gz YRTJDYMUQZOWNV-OLZOCXBDSA-N 1 1 287.469 3.394 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC001258728424 807574718 /nfs/dbraw/zinc/57/47/18/807574718.db2.gz OUHSPTQFLWBPTP-BHYGNILZSA-N 1 1 259.393 3.019 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1Cc2c(cnn2CC)[C@H](COCC)C1 ZINC001258729462 807575754 /nfs/dbraw/zinc/57/57/54/807575754.db2.gz VINBRGRAEZJUJY-CABCVRRESA-N 1 1 291.439 3.193 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@]2(CCN(CC3CC3)C2=O)C1 ZINC001258729506 807576071 /nfs/dbraw/zinc/57/60/71/807576071.db2.gz WDDABGMPTSPYFR-MAUKXSAKSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCN(C(=O)OC(C)(C)C)C2(CC2)C1 ZINC001258732281 807577605 /nfs/dbraw/zinc/57/76/05/807577605.db2.gz KWVAXRMDOIENJM-AWEZNQCLSA-N 1 1 294.439 3.426 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@@H](C)C[C@@H]1C(=O)OCC ZINC001258732174 807578089 /nfs/dbraw/zinc/57/80/89/807578089.db2.gz JNULRFZHBGQDEH-HZSPNIEDSA-N 1 1 253.386 3.005 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCc2ncc(Cl)cc2C1 ZINC001258733512 807578752 /nfs/dbraw/zinc/57/87/52/807578752.db2.gz HLUCZYZPPFUDGH-LLVKDONJSA-N 1 1 250.773 3.448 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](Oc2ncccc2OC)C1 ZINC001258733704 807579218 /nfs/dbraw/zinc/57/92/18/807579218.db2.gz LZSSLULMCNKXSB-GJZGRUSLSA-N 1 1 290.407 3.288 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCN(C)Cc1ccccc1 ZINC001258732680 807579667 /nfs/dbraw/zinc/57/96/67/807579667.db2.gz BGJSXJMHOJUQEN-INIZCTEOSA-N 1 1 260.425 3.405 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](Oc2ccc(C)cn2)C1 ZINC001258734085 807580345 /nfs/dbraw/zinc/58/03/45/807580345.db2.gz RGONOEVIGXIXRV-GJZGRUSLSA-N 1 1 260.381 3.198 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC)C1 ZINC001258735767 807582106 /nfs/dbraw/zinc/58/21/06/807582106.db2.gz BLCBWVSVVAWLPJ-BHYGNILZSA-N 1 1 287.403 3.230 20 30 CGEDMO C[C@H]1CCC[C@H]([N@H+]2CCc3ccc(C#N)cc3C2)C1 ZINC001258820469 807637084 /nfs/dbraw/zinc/63/70/84/807637084.db2.gz YTFPGZCOZIXKAJ-GUYCJALGSA-N 1 1 254.377 3.495 20 30 CGEDMO CCCCCCCC[N@@H+](C)[C@H]1CC[C@@H](C(=O)OCC)OC1 ZINC001169391661 807637862 /nfs/dbraw/zinc/63/78/62/807637862.db2.gz JAIUIYLBQYOJBT-HOTGVXAUSA-N 1 1 299.455 3.389 20 30 CGEDMO C=CC[C@@H]([NH2+]C(CC(C)C)CC(C)C)C(=O)OC ZINC001258831441 807647291 /nfs/dbraw/zinc/64/72/91/807647291.db2.gz QPPNHCBWBHYQPN-CQSZACIVSA-N 1 1 255.402 3.155 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NC[C@H](C)OC)cc1 ZINC001169777605 807707872 /nfs/dbraw/zinc/70/78/72/807707872.db2.gz BDQROUTXDHQTPM-WMLDXEAASA-N 1 1 274.408 3.456 20 30 CGEDMO C=CCCCC[N@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001169872598 807719189 /nfs/dbraw/zinc/71/91/89/807719189.db2.gz MXXKKDAFGNAFDN-GASCZTMLSA-N 1 1 294.439 3.141 20 30 CGEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+]([C@@H]1CC[C@H](C)C1)C2 ZINC001170137610 807772829 /nfs/dbraw/zinc/77/28/29/807772829.db2.gz OJEQRHUFQCWIIG-BSDSXHPESA-N 1 1 293.451 3.249 20 30 CGEDMO C[C@@H]1COCC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170379094 807832315 /nfs/dbraw/zinc/83/23/15/807832315.db2.gz PXBNLTWAZOOUJJ-IVMQYODDSA-N 1 1 298.430 3.359 20 30 CGEDMO C=C(C)CC[N@H+]1CCN(Cc2ccccc2)C(=O)C1(C)C ZINC001170639326 807868529 /nfs/dbraw/zinc/86/85/29/807868529.db2.gz PNCVVUYFQIFLOB-UHFFFAOYSA-N 1 1 286.419 3.076 20 30 CGEDMO CC(C)[NH+](CCN[C@H](C)Cc1cccc(C#N)c1)C(C)C ZINC001171177873 808000705 /nfs/dbraw/zinc/00/07/05/808000705.db2.gz BMWQHPHOPZIHNR-MRXNPFEDSA-N 1 1 287.451 3.198 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1nccs1 ZINC001171222078 808012213 /nfs/dbraw/zinc/01/22/13/808012213.db2.gz CPROTFQGYFQAOC-LBPRGKRZSA-N 1 1 271.389 3.078 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@H](COCC2CC2)C1 ZINC001171230328 808015211 /nfs/dbraw/zinc/01/52/11/808015211.db2.gz UUQVCZPEXNPRLK-KXBFYZLASA-N 1 1 298.430 3.238 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC[C@H](C)CC)[C@H]1CC ZINC001264065653 808032880 /nfs/dbraw/zinc/03/28/80/808032880.db2.gz ZCWBVSBJVCNNET-OWCLPIDISA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)C2CC2)[C@H]1CC ZINC001264071670 808034576 /nfs/dbraw/zinc/03/45/76/808034576.db2.gz KSWXKTQNUFVQME-BHYGNILZSA-N 1 1 292.467 3.358 20 30 CGEDMO CC#CCCCC(=O)N[C@H]1CC[N@H+](CCCCCC)[C@@H]1C ZINC001264156138 808041617 /nfs/dbraw/zinc/04/16/17/808041617.db2.gz NACYOAMWYZQCNF-SJORKVTESA-N 1 1 292.467 3.339 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](C)SC ZINC001264179347 808044449 /nfs/dbraw/zinc/04/44/49/808044449.db2.gz RMJWPWXNQHZUNR-CABCVRRESA-N 1 1 298.496 3.017 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171492286 808076039 /nfs/dbraw/zinc/07/60/39/808076039.db2.gz BYFAHKKJNPXCMM-IUODEOHRSA-N 1 1 275.342 3.167 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+]([C@@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171497859 808078399 /nfs/dbraw/zinc/07/83/99/808078399.db2.gz WXVFUPGZAYGADA-CJNGLKHVSA-N 1 1 276.330 3.058 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+]([C@@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171497859 808078401 /nfs/dbraw/zinc/07/84/01/808078401.db2.gz WXVFUPGZAYGADA-CJNGLKHVSA-N 1 1 276.330 3.058 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)CCCC)[C@H]1C ZINC001264698925 808085950 /nfs/dbraw/zinc/08/59/50/808085950.db2.gz XBHGSDNLBPWICL-OAGGEKHMSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCCC(=O)N1CCCC[C@H]1C[N@@H+](C)CCCF ZINC001264743123 808091137 /nfs/dbraw/zinc/09/11/37/808091137.db2.gz TVEDOSOAHXPRJN-HNNXBMFYSA-N 1 1 284.419 3.015 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCNC(=O)C[C@@H]1CC[C@H](C)C1 ZINC001265022754 808102999 /nfs/dbraw/zinc/10/29/99/808102999.db2.gz KCBDUSDKLTWELA-JKSUJKDBSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCCNC(=O)c1ccc2[nH]ccc2c1 ZINC001265028905 808104967 /nfs/dbraw/zinc/10/49/67/808104967.db2.gz NINUYQPYBGKRQG-UHFFFAOYSA-N 1 1 299.418 3.186 20 30 CGEDMO C=C(C)C[N@@H+](C)CCCNC(=O)[C@@H](F)CC1CCCCC1 ZINC001265058204 808106647 /nfs/dbraw/zinc/10/66/47/808106647.db2.gz LZTAGDBWTZMUMN-INIZCTEOSA-N 1 1 298.446 3.309 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC001265274263 808125179 /nfs/dbraw/zinc/12/51/79/808125179.db2.gz AORBEQYNWZESRC-QGZVFWFLSA-N 1 1 298.430 3.221 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001265319696 808131379 /nfs/dbraw/zinc/13/13/79/808131379.db2.gz PYAKMGYUUSRODV-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)c2cccs2)C1 ZINC001265384738 808136780 /nfs/dbraw/zinc/13/67/80/808136780.db2.gz OFTMZAAXWPBBKX-AWEZNQCLSA-N 1 1 292.448 3.108 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC001265384943 808137430 /nfs/dbraw/zinc/13/74/30/808137430.db2.gz SHRGMGIPOBLLEM-IAGOWNOFSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)CCC(C)C)C1 ZINC001265385319 808137484 /nfs/dbraw/zinc/13/74/84/808137484.db2.gz ZUQAVPIZICQXKY-MRXNPFEDSA-N 1 1 280.456 3.169 20 30 CGEDMO CC[C@H](C#N)N[C@@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974027 808162961 /nfs/dbraw/zinc/16/29/61/808162961.db2.gz BNRXUZRKDOCMEH-IAGOWNOFSA-N 1 1 285.435 3.321 20 30 CGEDMO C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@H+](C)CCC#N ZINC001171971473 808163110 /nfs/dbraw/zinc/16/31/10/808163110.db2.gz VOUKYAGNJPCBJE-LLVKDONJSA-N 1 1 270.298 3.482 20 30 CGEDMO C[C@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+](C)CCC#N ZINC001171971473 808163114 /nfs/dbraw/zinc/16/31/14/808163114.db2.gz VOUKYAGNJPCBJE-LLVKDONJSA-N 1 1 270.298 3.482 20 30 CGEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](CC)CC(C)C ZINC001265655513 808165889 /nfs/dbraw/zinc/16/58/89/808165889.db2.gz JOSZVSYDFAFMDH-SJORKVTESA-N 1 1 292.467 3.053 20 30 CGEDMO CC#CCCCC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@@H+]1CC ZINC001265696888 808170436 /nfs/dbraw/zinc/17/04/36/808170436.db2.gz LKQXANACQALERH-IRXDYDNUSA-N 1 1 290.451 3.045 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001265702727 808171042 /nfs/dbraw/zinc/17/10/42/808171042.db2.gz HDVSFAFTTPDUFA-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CCC(=O)NCCC[N@H+](C)CCC(C)(C)C ZINC001265855499 808188992 /nfs/dbraw/zinc/18/89/92/808188992.db2.gz TVKCRWQJKBESMU-UHFFFAOYSA-N 1 1 268.445 3.217 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)C12CCC(CC1)C2 ZINC001265874514 808189942 /nfs/dbraw/zinc/18/99/42/808189942.db2.gz GAYOEXVRLCOKSL-KLHKWILBSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCCCCCC[N@@H+](C)[C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172180068 808190723 /nfs/dbraw/zinc/19/07/23/808190723.db2.gz WSMIWYNTCNTCQR-CVEARBPZSA-N 1 1 280.456 3.432 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001265894010 808190957 /nfs/dbraw/zinc/19/09/57/808190957.db2.gz UWGPUMLVAWHATG-QKDCVEJESA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001265894010 808190958 /nfs/dbraw/zinc/19/09/58/808190958.db2.gz UWGPUMLVAWHATG-QKDCVEJESA-N 1 1 298.858 3.003 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)[C@@]1(C)C=CCC1 ZINC001265904263 808192305 /nfs/dbraw/zinc/19/23/05/808192305.db2.gz CYYFALWWQFKGMT-RDJZCZTQSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@H+](C)CCCNC(=O)C[C@H](C)C1CCCCC1 ZINC001265938729 808195172 /nfs/dbraw/zinc/19/51/72/808195172.db2.gz JBVPKZKELVULBI-HNNXBMFYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)C[C@H]1C=CCCC1 ZINC001266054452 808206454 /nfs/dbraw/zinc/20/64/54/808206454.db2.gz RZAIGXDPEYVUJE-INIZCTEOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)CCC2CCCC2)C1 ZINC001266090579 808209927 /nfs/dbraw/zinc/20/99/27/808209927.db2.gz NBQXTGKZXOCZJM-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)CCCC)C1 ZINC001266099198 808211525 /nfs/dbraw/zinc/21/15/25/808211525.db2.gz AWGCTBNARBYNCS-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC[C@H]([N@@H+](C)CCC2CC2)C1 ZINC001266108401 808213395 /nfs/dbraw/zinc/21/33/95/808213395.db2.gz WEKPURYORFBINF-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO CC(C)[NH+](CCN[C@H](C)Cc1ccc(C#N)cc1)C(C)C ZINC001172290462 808216608 /nfs/dbraw/zinc/21/66/08/808216608.db2.gz PYAWFUMPUCZFAZ-MRXNPFEDSA-N 1 1 287.451 3.198 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CC[C@H](N2CCCCC2)C1 ZINC001172305999 808221476 /nfs/dbraw/zinc/22/14/76/808221476.db2.gz HRKYXNSMGVDPFF-APWZRJJASA-N 1 1 297.446 3.049 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H](N2CCCCC2)C1 ZINC001172305999 808221482 /nfs/dbraw/zinc/22/14/82/808221482.db2.gz HRKYXNSMGVDPFF-APWZRJJASA-N 1 1 297.446 3.049 20 30 CGEDMO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)Cc1ccc(C#N)cc1 ZINC001172311812 808223982 /nfs/dbraw/zinc/22/39/82/808223982.db2.gz YYBMSWNUFXXNCI-DTWYCDNDSA-N 1 1 284.403 3.131 20 30 CGEDMO CCCC[N@H+]1CCC[C@@H]1CCCNC(=O)C#CC(C)(C)C ZINC001266214428 808228717 /nfs/dbraw/zinc/22/87/17/808228717.db2.gz CNGFGYQXHSXOTQ-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+](C)Cc1cscn1 ZINC001172320284 808229532 /nfs/dbraw/zinc/22/95/32/808229532.db2.gz UUCNRIOGNQTSMG-LBPRGKRZSA-N 1 1 271.389 3.078 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1cscn1 ZINC001172320284 808229540 /nfs/dbraw/zinc/22/95/40/808229540.db2.gz UUCNRIOGNQTSMG-LBPRGKRZSA-N 1 1 271.389 3.078 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1CCC[N@H+](CC[C@H](C)F)C1 ZINC001266222026 808230521 /nfs/dbraw/zinc/23/05/21/808230521.db2.gz MMWNLHKCHYHGTH-GOEBONIOSA-N 1 1 296.430 3.084 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)CC[C@H](C)CC ZINC001266238356 808231741 /nfs/dbraw/zinc/23/17/41/808231741.db2.gz QWWUOHDIXXGWPN-IAGOWNOFSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NCC[N@@H+](C)Cc1ccccc1C ZINC001266311521 808239962 /nfs/dbraw/zinc/23/99/62/808239962.db2.gz AAQDRRYUEPUNFI-INIZCTEOSA-N 1 1 288.435 3.145 20 30 CGEDMO CC[C@H](C)OCC[C@H](C)[N@H+]1CCC[C@H](C#N)CC1 ZINC001172351927 808249827 /nfs/dbraw/zinc/24/98/27/808249827.db2.gz DXPKEJTUVFFDMV-KKUMJFAQSA-N 1 1 252.402 3.206 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC001172356565 808252576 /nfs/dbraw/zinc/25/25/76/808252576.db2.gz WZSFTIZTZFKGQG-GJZGRUSLSA-N 1 1 289.485 3.244 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@@H](NC(C)=O)C1 ZINC001172362547 808257134 /nfs/dbraw/zinc/25/71/34/808257134.db2.gz ZRSRJLNJMMTCRN-CVEARBPZSA-N 1 1 268.445 3.336 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)c1ccc(F)c(C)c1 ZINC001266413185 808258820 /nfs/dbraw/zinc/25/88/20/808258820.db2.gz IGVYGZBDNQFYHH-UHFFFAOYSA-N 1 1 292.398 3.152 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)[C@@H]1CCC[C@H](C)C1 ZINC001266413667 808258877 /nfs/dbraw/zinc/25/88/77/808258877.db2.gz QYWCVPUJMFZTPD-JKSUJKDBSA-N 1 1 280.456 3.217 20 30 CGEDMO C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](CC)CCCC)C1 ZINC001266448017 808266965 /nfs/dbraw/zinc/26/69/65/808266965.db2.gz FLEDIJRJSVYMDW-DLBZAZTESA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C(C)=C1CCC1 ZINC001266461043 808269310 /nfs/dbraw/zinc/26/93/10/808269310.db2.gz IIODOWKKSBNOGD-RHSMWYFYSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)C2CCC2)C1 ZINC001266463644 808270507 /nfs/dbraw/zinc/27/05/07/808270507.db2.gz NWNRNESUKUYENC-OAHLLOKOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC12CC2 ZINC001266483025 808273723 /nfs/dbraw/zinc/27/37/23/808273723.db2.gz MNGNWZSQHZWCCV-HOTGVXAUSA-N 1 1 290.451 3.114 20 30 CGEDMO CCC[N@@H+](CCNC(=O)C#CC(C)(C)C)CC1CCCC1 ZINC001266560365 808286484 /nfs/dbraw/zinc/28/64/84/808286484.db2.gz JOEPNEIOQDPVEF-UHFFFAOYSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)c1c(C)cc(F)cc1C ZINC001266568500 808288680 /nfs/dbraw/zinc/28/86/80/808288680.db2.gz NDSWTZJVJISXRC-UHFFFAOYSA-N 1 1 292.398 3.070 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](CNC(=O)CC2=CCCCC2)C1 ZINC001266742768 808309745 /nfs/dbraw/zinc/30/97/45/808309745.db2.gz FPYKHXLLVPGHSE-QGZVFWFLSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1CCC[N@H+](CC[C@H](C)F)C1 ZINC001266751203 808311437 /nfs/dbraw/zinc/31/14/37/808311437.db2.gz CZMJWLMXEGNZMD-GJZGRUSLSA-N 1 1 298.446 3.165 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@H]1CCC[N@@H+](C/C=C\Cl)C1 ZINC001266760913 808314338 /nfs/dbraw/zinc/31/43/38/808314338.db2.gz OYLORTACMKSQIH-LMQOONNDSA-N 1 1 298.858 3.169 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001266767615 808314440 /nfs/dbraw/zinc/31/44/40/808314440.db2.gz PDNMNQHCVLZHGN-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@H]1CCC[N@H+](CCC(=C)C)C1 ZINC001266763783 808314523 /nfs/dbraw/zinc/31/45/23/808314523.db2.gz HXCINDHBZHQQQQ-MRXNPFEDSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)/C=C/C(C)(C)C ZINC001266837865 808321968 /nfs/dbraw/zinc/32/19/68/808321968.db2.gz XUANFDRKHDOKKR-AUECHBEKSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001266893623 808330716 /nfs/dbraw/zinc/33/07/16/808330716.db2.gz CYORYQZDJQFOOT-HOCLYGCPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCOC(=O)[C@@H]([NH2+][C@H](C)CCOCC(C)C)[C@@H](C)CC ZINC001172462495 808332996 /nfs/dbraw/zinc/33/29/96/808332996.db2.gz PXDFTJBNOYBNIF-XHSDSOJGSA-N 1 1 299.455 3.171 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)CC=C)C1 ZINC001266895722 808333543 /nfs/dbraw/zinc/33/35/43/808333543.db2.gz SALLOCYRUZZYAM-HOTGVXAUSA-N 1 1 292.467 3.382 20 30 CGEDMO C[C@@H](CCCC#N)[N@@H+](C)Cc1ccc(Cl)nc1 ZINC001172499984 808355592 /nfs/dbraw/zinc/35/55/92/808355592.db2.gz HVCPMOXLMHCSGV-NSHDSACASA-N 1 1 251.761 3.249 20 30 CGEDMO C[C@H](CCCC#N)[N@@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC001172498020 808355787 /nfs/dbraw/zinc/35/57/87/808355787.db2.gz IFOKHPZELOWJAR-OAHLLOKOSA-N 1 1 282.391 3.386 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCC2)C1 ZINC001267103809 808358074 /nfs/dbraw/zinc/35/80/74/808358074.db2.gz HDIYIRRPCQBCNZ-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@H]([N@H+](C)CC[C@H](C)F)C1 ZINC001267111320 808360342 /nfs/dbraw/zinc/36/03/42/808360342.db2.gz HZOCZOXEPBYADM-GJZGRUSLSA-N 1 1 298.446 3.260 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC001172505196 808360549 /nfs/dbraw/zinc/36/05/49/808360549.db2.gz KRPANOARTLLRHP-BBRMVZONSA-N 1 1 276.355 3.361 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCN(C)[C@@H](c2ccccc2)C1 ZINC001172507124 808362223 /nfs/dbraw/zinc/36/22/23/808362223.db2.gz PMGXLPBDOFSLJW-DOTOQJQBSA-N 1 1 271.408 3.057 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@@H](Oc2ccncc2)C1 ZINC001172509805 808365384 /nfs/dbraw/zinc/36/53/84/808365384.db2.gz QVHYIEYYQJWITK-GOEBONIOSA-N 1 1 273.380 3.007 20 30 CGEDMO Cc1cccnc1O[C@H]1CCC[N@H+]([C@H](C)CCCC#N)C1 ZINC001172509705 808366090 /nfs/dbraw/zinc/36/60/90/808366090.db2.gz OKOXVHBKEPKPJM-CVEARBPZSA-N 1 1 287.407 3.316 20 30 CGEDMO CCCCCCC[C@@H](CCC)[NH2+]CCCN(C)CCO ZINC001172509244 808366138 /nfs/dbraw/zinc/36/61/38/808366138.db2.gz UQEUKLUXFVJGHY-QGZVFWFLSA-N 1 1 286.504 3.419 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)C1CCC(F)CC1 ZINC001267175325 808373863 /nfs/dbraw/zinc/37/38/63/808373863.db2.gz SKWDLHYMKRWTFP-UYSNPLJNSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCCC(=O)NCC[N@H+](C)[C@H](C)c1cc(C)ccc1C ZINC001267188963 808377834 /nfs/dbraw/zinc/37/78/34/808377834.db2.gz UQIHSQTXPMYIBN-MRXNPFEDSA-N 1 1 288.435 3.379 20 30 CGEDMO C=C(C)CC[N@H+](C)CCNC(=O)[C@H]1CCCC[C@H]1CC ZINC001267224343 808385015 /nfs/dbraw/zinc/38/50/15/808385015.db2.gz CKCDGJJSNYUQBN-CVEARBPZSA-N 1 1 280.456 3.217 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)CCCCCC ZINC001267278750 808402480 /nfs/dbraw/zinc/40/24/80/808402480.db2.gz PPUDQSLXYKFUOP-IAGOWNOFSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC[N@@H+]1C[C@H](C)CC ZINC001267272110 808402644 /nfs/dbraw/zinc/40/26/44/808402644.db2.gz IRFHNUUKPZKECK-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](CC)CCC)C1 ZINC001267304589 808408755 /nfs/dbraw/zinc/40/87/55/808408755.db2.gz KJUPIOHZDPJGBG-HOTGVXAUSA-N 1 1 280.456 3.217 20 30 CGEDMO CC1(C)CC([N@@H+]2CCCC[C@H]2C#N)CC(C)(C)O1 ZINC001172659434 808411916 /nfs/dbraw/zinc/41/19/16/808411916.db2.gz WMBXOKMMJOEUNI-LBPRGKRZSA-N 1 1 250.386 3.101 20 30 CGEDMO CC1(C)CC([N@H+]2CCCC[C@H]2C#N)CC(C)(C)O1 ZINC001172659434 808411919 /nfs/dbraw/zinc/41/19/19/808411919.db2.gz WMBXOKMMJOEUNI-LBPRGKRZSA-N 1 1 250.386 3.101 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)c1sccc1Cl ZINC001267313889 808412420 /nfs/dbraw/zinc/41/24/20/808412420.db2.gz ADMOILIJQGEXBH-UHFFFAOYSA-N 1 1 286.828 3.029 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)CC1(C)CCCC1)C1CC1 ZINC001267326968 808415434 /nfs/dbraw/zinc/41/54/34/808415434.db2.gz VLABFVZYGYCDAB-UHFFFAOYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)C=C(CC)CC)C1 ZINC001267455228 808428452 /nfs/dbraw/zinc/42/84/52/808428452.db2.gz WROREHJEIQUVIB-MRXNPFEDSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)C(C)=C2CCC2)C1 ZINC001267459451 808429645 /nfs/dbraw/zinc/42/96/45/808429645.db2.gz JSJMDYIRJHOMDI-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO COC(=O)[C@@H]1CCC[C@H]([N@@H+](CCC#N)C2CCCC2)CC1 ZINC001172791687 808440825 /nfs/dbraw/zinc/44/08/25/808440825.db2.gz MESBIYITYZBJBM-ZBFHGGJFSA-N 1 1 292.423 3.267 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CCC)C(=O)/C(C)=C\C)C1 ZINC001267541159 808442536 /nfs/dbraw/zinc/44/25/36/808442536.db2.gz WRUNYGMOGHLKMJ-NXADEVLQSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)C2CCCCC2)C1 ZINC001267550008 808446128 /nfs/dbraw/zinc/44/61/28/808446128.db2.gz NJYDWUINBYWZPA-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)C(C)(C)C)C1 ZINC001267583899 808453062 /nfs/dbraw/zinc/45/30/62/808453062.db2.gz ACPMYPCCIKVLTJ-HUUCEWRRSA-N 1 1 280.456 3.025 20 30 CGEDMO C=CCCC[N@H+](C)CC1CCN(C(=O)CCC(=C)C)CC1 ZINC001267599684 808454805 /nfs/dbraw/zinc/45/48/05/808454805.db2.gz YSDSKFQPSTWYSV-UHFFFAOYSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCCC[N@H+](C)CC1CCN(C(=O)/C=C(\C)CC)CC1 ZINC001267599641 808455200 /nfs/dbraw/zinc/45/52/00/808455200.db2.gz WTZJGTXLHNZNJD-JQIJEIRASA-N 1 1 292.467 3.479 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H](C[N@H+](C)CCCC(C)C)C1 ZINC001267669103 808466986 /nfs/dbraw/zinc/46/69/86/808466986.db2.gz COKCCXRRTCFCSZ-MRXNPFEDSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCCC[NH+]1CC(NC(=O)C(C)(C)CC(C)(C)C)C1 ZINC001267669270 808467252 /nfs/dbraw/zinc/46/72/52/808467252.db2.gz GGOVHUIREMEYKR-UHFFFAOYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(Cl)C[N@H+](C)CC1CCN(C(=O)CCCC)CC1 ZINC001267719126 808476088 /nfs/dbraw/zinc/47/60/88/808476088.db2.gz XKUOZWMYNNWSQO-UHFFFAOYSA-N 1 1 286.847 3.100 20 30 CGEDMO CC#CCCCC(=O)N[C@H]1CC[N@@H+](C[C@H](C)CC(C)C)C1 ZINC001267729339 808478458 /nfs/dbraw/zinc/47/84/58/808478458.db2.gz SPODHMHWNSUPRW-SJORKVTESA-N 1 1 292.467 3.053 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172922169 808480827 /nfs/dbraw/zinc/48/08/27/808480827.db2.gz WROLDUYYIKYJKI-PBHICJAKSA-N 1 1 298.386 3.187 20 30 CGEDMO C=CC[N@H+](C)CC1CCN(C(=O)[C@@]2(C)CCC[C@H]2C)CC1 ZINC001267745771 808482399 /nfs/dbraw/zinc/48/23/99/808482399.db2.gz FGCLXSONFZDSCM-QAPCUYQASA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@H+](C)CC1CCN(C(=O)[C@@H](C)C(C)C)CC1 ZINC001267752782 808483221 /nfs/dbraw/zinc/48/32/21/808483221.db2.gz RLYVWXIMLXPPAB-INIZCTEOSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2cocc2C)C1 ZINC001267771002 808488297 /nfs/dbraw/zinc/48/82/97/808488297.db2.gz WRVYGUDIZFPGHQ-GJZGRUSLSA-N 1 1 290.407 3.089 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)C2CC2)C1 ZINC001267770749 808488984 /nfs/dbraw/zinc/48/89/84/808488984.db2.gz QWJWRBCQWITASQ-HOCLYGCPSA-N 1 1 292.467 3.310 20 30 CGEDMO N#C[C@H]1CC[N@H+](C2CCC(Oc3ccccc3)CC2)C1 ZINC001173203186 808536151 /nfs/dbraw/zinc/53/61/51/808536151.db2.gz JSZZKFXDWSWQRJ-HPUBIQBYSA-N 1 1 270.376 3.222 20 30 CGEDMO CCc1ccc(C[C@@H](C)[N@H+]2CCC[C@H](C#N)C2)cc1 ZINC001173242960 808550016 /nfs/dbraw/zinc/55/00/16/808550016.db2.gz JNSVZIQLXVRMSX-RHSMWYFYSA-N 1 1 256.393 3.416 20 30 CGEDMO C#CCCCCC(=O)N[C@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001268185012 808553623 /nfs/dbraw/zinc/55/36/23/808553623.db2.gz XANAJYGOFGQQDO-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)CC2(C)CCCC2)C1 ZINC001268195200 808554037 /nfs/dbraw/zinc/55/40/37/808554037.db2.gz PPPSJCRLNSDFFU-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC001268216376 808559563 /nfs/dbraw/zinc/55/95/63/808559563.db2.gz GHYRUMUYJYIBAF-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCOC(=O)[C@H](CC(C)C)[NH2+][C@H]1CC[C@H](CC)C1 ZINC001173268339 808572528 /nfs/dbraw/zinc/57/25/28/808572528.db2.gz WKLFQRBSAAJPKT-KKUMJFAQSA-N 1 1 267.413 3.299 20 30 CGEDMO C=CC[C@H](C(=O)NC1C[NH+](CCC(=C)C)C1)c1ccccc1 ZINC001268483581 808592408 /nfs/dbraw/zinc/59/24/08/808592408.db2.gz OVNQJMQZIHLPBQ-SFHVURJKSA-N 1 1 298.430 3.113 20 30 CGEDMO C=CCOC1CCC([NH2+][C@H](C(=O)OCC)[C@@H](C)CC)CC1 ZINC001173316002 808608882 /nfs/dbraw/zinc/60/88/82/808608882.db2.gz VQLBHGAPHAKHJO-LBDPXKHJSA-N 1 1 297.439 3.068 20 30 CGEDMO C=CCOC1CCC([N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OC)CC1 ZINC001173320362 808611332 /nfs/dbraw/zinc/61/13/32/808611332.db2.gz MKKMRZZMYPWIQV-UIJHXXCUSA-N 1 1 293.451 3.247 20 30 CGEDMO C=CCOC1CCC([N@@H+](CCCC)CC(=O)OCC)CC1 ZINC001173322778 808611481 /nfs/dbraw/zinc/61/14/81/808611481.db2.gz LZKKSDOXFJVBMM-UHFFFAOYSA-N 1 1 297.439 3.165 20 30 CGEDMO C=CCOC1CCC([N@@H+](CC)CCN2CCCCC2)CC1 ZINC001173327016 808612832 /nfs/dbraw/zinc/61/28/32/808612832.db2.gz ZGJMKMIFEJFFHM-UHFFFAOYSA-N 1 1 294.483 3.308 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc(C)s1 ZINC001268719120 808614702 /nfs/dbraw/zinc/61/47/02/808614702.db2.gz GTZRLDNTKUFVLR-OLZOCXBDSA-N 1 1 294.464 3.461 20 30 CGEDMO N#CCC1CCC(n2cc(CC[NH3+])c3cnccc32)CC1 ZINC001173333538 808617335 /nfs/dbraw/zinc/61/73/35/808617335.db2.gz JJTICNMPYJPSSP-UHFFFAOYSA-N 1 1 282.391 3.182 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)c1cccc(Cl)c1C ZINC001268731368 808618671 /nfs/dbraw/zinc/61/86/71/808618671.db2.gz NENNBQDALFYWRT-LBPRGKRZSA-N 1 1 294.826 3.275 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H](C)C[N@@H+](C)CC1CC(C)C1 ZINC001268739881 808619481 /nfs/dbraw/zinc/61/94/81/808619481.db2.gz FUAJDZQIKPREPD-SHARSMKWSA-N 1 1 280.456 3.071 20 30 CGEDMO C[N@H+]1CCN(C2CCC(CC#N)CC2)C2(CCCC2)C1 ZINC001173339367 808620192 /nfs/dbraw/zinc/62/01/92/808620192.db2.gz GASLBPNOCOXUFZ-UHFFFAOYSA-N 1 1 275.440 3.019 20 30 CGEDMO Cc1nc2c(s1)C[N@H+](C1CCC(CC#N)CC1)CC2 ZINC001173339727 808620219 /nfs/dbraw/zinc/62/02/19/808620219.db2.gz RDPYVLJBAYSSRH-UHFFFAOYSA-N 1 1 275.421 3.282 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C/C=C/c2ccc(C)cc2)C1 ZINC001269101107 808647921 /nfs/dbraw/zinc/64/79/21/808647921.db2.gz QGRMLWOHZAOOHM-WRFKIARRSA-N 1 1 298.430 3.165 20 30 CGEDMO CC(C)N1CC[C@H]([NH2+]C2CCC(C)(C#N)CC2)[C@@H](C)C1 ZINC001173591961 808648948 /nfs/dbraw/zinc/64/89/48/808648948.db2.gz AIWNDXRYGWLMQQ-SOEBMCCKSA-N 1 1 277.456 3.167 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CCCN(c3cccnc3)CC2)CC1 ZINC001173601527 808652777 /nfs/dbraw/zinc/65/27/77/808652777.db2.gz UYVYRNNBUPRDSE-UHFFFAOYSA-N 1 1 298.434 3.066 20 30 CGEDMO CCC[N@@H+](CCC#N)C1CCC2(C[C@@H]2C(=O)OCC)CC1 ZINC001173618607 808653910 /nfs/dbraw/zinc/65/39/10/808653910.db2.gz RKCKARJAFFUJEP-ISXOHVOVSA-N 1 1 292.423 3.124 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC)CCCC)C1 ZINC001269215415 808656191 /nfs/dbraw/zinc/65/61/91/808656191.db2.gz GTANUMXLCPMHDB-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC(CC=C)C(=O)N(C)[C@@H]1CC[N@H+](C[C@H](F)CC)C1 ZINC001269245962 808660717 /nfs/dbraw/zinc/66/07/17/808660717.db2.gz POMPLOZJZGOCRE-HZPDHXFCSA-N 1 1 296.430 3.036 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1CC[N@@H+]1CC/C=C/CC ZINC001269272595 808661799 /nfs/dbraw/zinc/66/17/99/808661799.db2.gz LWGKPHDPSRGZRC-MVGZEHJDSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)/C(C)=C/CC)C2)C1 ZINC001269685119 808697530 /nfs/dbraw/zinc/69/75/30/808697530.db2.gz CSVDPPGSDCWQGF-WHMKARLCSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)c2ccc(Cl)o2)C1 ZINC001269750306 808702520 /nfs/dbraw/zinc/70/25/20/808702520.db2.gz ALSOGGWRKXKKSA-NSHDSACASA-N 1 1 296.798 3.044 20 30 CGEDMO CCCCCCC[NH+]1CC(N(C)C(=O)c2coc(C)c2)C1 ZINC001269773496 808705171 /nfs/dbraw/zinc/70/51/71/808705171.db2.gz YVJRPGOGOWVWET-UHFFFAOYSA-N 1 1 292.423 3.315 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@](C)(NC(=O)CC2CC2)C1 ZINC001270530339 808733920 /nfs/dbraw/zinc/73/39/20/808733920.db2.gz SUFZRYKWPMMQSQ-KRWDZBQOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@@H](CC)CCCC)C[C@H]2C1 ZINC001271833246 808786355 /nfs/dbraw/zinc/78/63/55/808786355.db2.gz ZFDHGOARNBACOB-YESZJQIVSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)CC ZINC001272005943 808792055 /nfs/dbraw/zinc/79/20/55/808792055.db2.gz PRMAAKWAQVATPT-ARFHVFGLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)C(C)C ZINC001272045548 808795212 /nfs/dbraw/zinc/79/52/12/808795212.db2.gz VUUUZKUCSORKBE-YESZJQIVSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCC(C)C)C1 ZINC001272204463 808801411 /nfs/dbraw/zinc/80/14/11/808801411.db2.gz FDDWRFUXAQNSMX-IRXDYDNUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCN1CC[C@@]2(CC[N@H+](C[C@@H](CC)CCCC)C2)C1=O ZINC001272429562 808808176 /nfs/dbraw/zinc/80/81/76/808808176.db2.gz LJLHMSJXCHJSAN-FUHWJXTLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CCCC(C)C ZINC001273425238 808845282 /nfs/dbraw/zinc/84/52/82/808845282.db2.gz UDFQYTVXXRZGAK-KRWDZBQOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@]12CC(=O)N([C@@H](C)CC)C2 ZINC001273486903 808847854 /nfs/dbraw/zinc/84/78/54/808847854.db2.gz RJFPVGAKCVNDRN-DOTOQJQBSA-N 1 1 278.440 3.208 20 30 CGEDMO C#CCC[N@H+](C)CCCN(C)C(=O)CC1CCCCCC1 ZINC001273566394 808855567 /nfs/dbraw/zinc/85/55/67/808855567.db2.gz RUMPCDLDFQBFOR-UHFFFAOYSA-N 1 1 292.467 3.151 20 30 CGEDMO C=C(C)CN1CC[C@@]2(CCC[N@H+]([C@H](C)CC)CC2)C1=O ZINC001273922425 808864246 /nfs/dbraw/zinc/86/42/46/808864246.db2.gz MQXDJWBBXIVKTN-WBVHZDCISA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)/C=C(/C)CC)cc2C1 ZINC001274027905 808867106 /nfs/dbraw/zinc/86/71/06/808867106.db2.gz OPEVMDMUXHNQQP-ZROIWOOFSA-N 1 1 284.403 3.161 20 30 CGEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)/C=C(/C)CC)cc2C1 ZINC001274027905 808867112 /nfs/dbraw/zinc/86/71/12/808867112.db2.gz OPEVMDMUXHNQQP-ZROIWOOFSA-N 1 1 284.403 3.161 20 30 CGEDMO CC#CC[N@H+]1Cc2ccc(CNC(=O)C(C)(C)CC)cc2C1 ZINC001274035227 808868152 /nfs/dbraw/zinc/86/81/52/808868152.db2.gz GYTCWKWMFSFSRI-UHFFFAOYSA-N 1 1 298.430 3.078 20 30 CGEDMO CC#CC[N@@H+]1Cc2ccc(CNC(=O)C(C)(C)CC)cc2C1 ZINC001274035227 808868160 /nfs/dbraw/zinc/86/81/60/808868160.db2.gz GYTCWKWMFSFSRI-UHFFFAOYSA-N 1 1 298.430 3.078 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C2(C)CCC2)C(C)(C)C1 ZINC001274445799 808875714 /nfs/dbraw/zinc/87/57/14/808875714.db2.gz KAQUCYAFFXBSKL-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CCCC)C[C@@H]1C ZINC001274596606 808878838 /nfs/dbraw/zinc/87/88/38/808878838.db2.gz JWSOYIQDANPJSP-LSDHHAIUSA-N 1 1 266.429 3.112 20 30 CGEDMO C=CC[N@H+](CC)CC1CCN(C(=O)C2(C)CC(=C)C2)CC1 ZINC001274955972 808894191 /nfs/dbraw/zinc/89/41/91/808894191.db2.gz ULUFBCKDSXWOQH-UHFFFAOYSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)C[C@@H](F)CC ZINC001275151333 808916723 /nfs/dbraw/zinc/91/67/23/808916723.db2.gz ZTMTZNFNPQAPQT-LSDHHAIUSA-N 1 1 298.446 3.260 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)c1cc(Cl)ccc1C ZINC001275682935 808957358 /nfs/dbraw/zinc/95/73/58/808957358.db2.gz YXTXPSSTYHJVEZ-ZDUSSCGKSA-N 1 1 294.826 3.275 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1ccoc1Cl ZINC001275819980 808968305 /nfs/dbraw/zinc/96/83/05/808968305.db2.gz WWRAHAODLRNERS-RYUDHWBXSA-N 1 1 298.814 3.338 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@H](C)[N@H+](C)C[C@H](C)CC ZINC001275897931 808973721 /nfs/dbraw/zinc/97/37/21/808973721.db2.gz XTDKGVZQJOQNLZ-KGLIPLIRSA-N 1 1 268.445 3.071 20 30 CGEDMO C#CCCC[NH+]1CC2(CN(C[C@@H](CC)CCCC)C2)C1 ZINC001275976042 808980539 /nfs/dbraw/zinc/98/05/39/808980539.db2.gz XOZXMLMCXXKRGB-KRWDZBQOSA-N 1 1 276.468 3.234 20 30 CGEDMO C#CCCC[N@H+]1CCC[C@]2(CCCN(Cc3ccc[nH]3)C2)C1 ZINC001275975391 808981155 /nfs/dbraw/zinc/98/11/55/808981155.db2.gz AYQYXLMNSSNELC-IBGZPJMESA-N 1 1 299.462 3.106 20 30 CGEDMO COc1cc[nH+]c(Nc2ccc(Cl)c(C#N)c2)c1 ZINC001174400062 808997636 /nfs/dbraw/zinc/99/76/36/808997636.db2.gz GQHCRNKVUZWFGW-UHFFFAOYSA-N 1 1 259.696 3.359 20 30 CGEDMO C[N@H+]1CCc2ncc(Nc3ccc(Cl)c(C#N)c3)cc2C1 ZINC001174401584 808998412 /nfs/dbraw/zinc/99/84/12/808998412.db2.gz HTCLZFRBSVZCPE-UHFFFAOYSA-N 1 1 298.777 3.338 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)CCC1CC1 ZINC001276290844 808999990 /nfs/dbraw/zinc/99/99/90/808999990.db2.gz SVNUGUGKOMBNQM-HNNXBMFYSA-N 1 1 298.858 3.290 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)CCC1CC1 ZINC001276290844 808999994 /nfs/dbraw/zinc/99/99/94/808999994.db2.gz SVNUGUGKOMBNQM-HNNXBMFYSA-N 1 1 298.858 3.290 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1CCCCC[N@@H+]1CC(=C)C ZINC001276313248 809001243 /nfs/dbraw/zinc/00/12/43/809001243.db2.gz ZWANGCDTRUOLSK-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H]1CCCCC[N@@H+]1CC(=C)C ZINC001276313249 809001383 /nfs/dbraw/zinc/00/13/83/809001383.db2.gz ZWANGCDTRUOLSK-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@H](NC(=O)CCCC)C(C)(C)C1 ZINC001276555607 809016470 /nfs/dbraw/zinc/01/64/70/809016470.db2.gz RJIMUVCDZYDZJW-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@H](NC(=O)CCCC)C(C)(C)C1 ZINC001276555609 809016969 /nfs/dbraw/zinc/01/69/69/809016969.db2.gz RJIMUVCDZYDZJW-GJZGRUSLSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCCC(=O)NC[C@H]1CC[N@H+]1CC1CC2(CCC2)C1 ZINC001276916687 809044827 /nfs/dbraw/zinc/04/48/27/809044827.db2.gz USRMEAOHOCGENV-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CC[C@H]2C[C@]21C(=O)N(C)C ZINC001277169802 809061577 /nfs/dbraw/zinc/06/15/77/809061577.db2.gz GTJRYUIPBVZHKT-FUHWJXTLSA-N 1 1 292.467 3.456 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]2C[C@@]21C(=O)NC(C)(C)C ZINC001277224825 809064590 /nfs/dbraw/zinc/06/45/90/809064590.db2.gz NXDYPVHBGJLWJZ-PBHICJAKSA-N 1 1 280.456 3.336 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CC)C1 ZINC001277286269 809068237 /nfs/dbraw/zinc/06/82/37/809068237.db2.gz XCHYUOSATWUKIH-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)C(C)(C)CCC)C2)C1 ZINC001277474551 809076057 /nfs/dbraw/zinc/07/60/57/809076057.db2.gz RMPAJDAKJGPJSV-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)/C=C/C(C)(C)C)C2)C1 ZINC001277509563 809079195 /nfs/dbraw/zinc/07/91/95/809079195.db2.gz NOCZLRLTXKRDCE-DVBCCOPCSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@@H](C)C2CCC2)CC1 ZINC001278057460 809113927 /nfs/dbraw/zinc/11/39/27/809113927.db2.gz MJGXMCNFVQJRCK-ZDUSSCGKSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)C[C@H](C)C2CC2)CC1 ZINC001278094938 809115510 /nfs/dbraw/zinc/11/55/10/809115510.db2.gz QDTDTYXFRFJGAG-LBPRGKRZSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[C@@H](C)CC)C2 ZINC001278336021 809126309 /nfs/dbraw/zinc/12/63/09/809126309.db2.gz OBMMDFRAAGGPAI-FUHWJXTLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@](C)(NC(=O)CC(C)C)C1 ZINC001278356714 809127135 /nfs/dbraw/zinc/12/71/35/809127135.db2.gz MCROHYSLDCTSOM-QGZVFWFLSA-N 1 1 280.456 3.360 20 30 CGEDMO CCCCCCCOC(=O)N1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001278353532 809127371 /nfs/dbraw/zinc/12/73/71/809127371.db2.gz IOKVOQKZBLDRMR-IYBDPMFKSA-N 1 1 296.455 3.367 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](F)C(C)C)C1 ZINC001278420696 809131345 /nfs/dbraw/zinc/13/13/45/809131345.db2.gz OLUABNNUVYUKLG-RDJZCZTQSA-N 1 1 298.446 3.308 20 30 CGEDMO C#CCC[N@@H+]1CC[C@](C)(NC(=O)CCCCCC(C)C)C1 ZINC001278426678 809132873 /nfs/dbraw/zinc/13/28/73/809132873.db2.gz IYUNWPGWFINVLY-SFHVURJKSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CC(C)=C(C)C)[C@H]1C ZINC001278515695 809139232 /nfs/dbraw/zinc/13/92/32/809139232.db2.gz KSDNYGQFPIXIGP-HZPDHXFCSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C(CC=C)CC=C)[C@H]1C ZINC001278511295 809139401 /nfs/dbraw/zinc/13/94/01/809139401.db2.gz SWYLBBDBCQDRRB-NVXWUHKLSA-N 1 1 290.451 3.300 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)/C=C(\C)CC)C1 ZINC001278659451 809149370 /nfs/dbraw/zinc/14/93/70/809149370.db2.gz UYURHFVGZLHCBS-OBHPCNEJSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)c1ccsc1C)C(C)C ZINC001278904796 809155417 /nfs/dbraw/zinc/15/54/17/809155417.db2.gz URVICWRSGMPECM-UHFFFAOYSA-N 1 1 294.464 3.415 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)[C@H](C)C1CCC1)C(C)C ZINC001278912495 809155896 /nfs/dbraw/zinc/15/58/96/809155896.db2.gz RUMCOUDQEXGEFQ-OAHLLOKOSA-N 1 1 280.456 3.168 20 30 CGEDMO CCc1ccc(C)[nH+]c1Nc1ccc(C#N)cc1N ZINC001213347045 815267234 /nfs/dbraw/zinc/26/72/34/815267234.db2.gz QQZUYOYAQFMDFH-UHFFFAOYSA-N 1 1 252.321 3.150 20 30 CGEDMO Cc1[nH+]c2c(Nc3ccc(C#N)cc3N)cccn2c1C ZINC001213355551 815269511 /nfs/dbraw/zinc/26/95/11/815269511.db2.gz IBLZZRLSQAHQOW-UHFFFAOYSA-N 1 1 277.331 3.149 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)/C=C/C(C)(C)C)CC1 ZINC001280712376 809196234 /nfs/dbraw/zinc/19/62/34/809196234.db2.gz XRUDOUBKSJIBOX-RCQQVGEISA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCCC(=O)N(C)CCC[N@H+](C)[C@H](C)c1ccccc1 ZINC001280793306 809198545 /nfs/dbraw/zinc/19/85/45/809198545.db2.gz JMFPROWWWHJORP-MRXNPFEDSA-N 1 1 288.435 3.494 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H](C)CC)C2 ZINC001281086221 809206548 /nfs/dbraw/zinc/20/65/48/809206548.db2.gz OYDDGDBQRHCZBF-AEFFLSMTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CC2(C)CC2)C(C)(C)C1 ZINC001281554394 809215521 /nfs/dbraw/zinc/21/55/21/809215521.db2.gz BPGMHDXBJHQSPF-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)CCC1CC1 ZINC001281930217 809223637 /nfs/dbraw/zinc/22/36/37/809223637.db2.gz URKVTBBHQFKQDJ-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)c1ccccc1Cl ZINC001281970487 809226346 /nfs/dbraw/zinc/22/63/46/809226346.db2.gz WHNDCRRZUJEFPB-CYBMUJFWSA-N 1 1 292.810 3.062 20 30 CGEDMO CC#CCCCC(=O)NC[C@H](C)[N@@H+](C)CC1CCCCC1 ZINC001282448619 809248761 /nfs/dbraw/zinc/24/87/61/809248761.db2.gz BEZRTZJZIQHXSL-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)Cc1ccsc1C ZINC001282463703 809250358 /nfs/dbraw/zinc/25/03/58/809250358.db2.gz BNWVXGQVIGJNPM-CYBMUJFWSA-N 1 1 294.464 3.002 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)CNC(=O)c1ccc(C(C)C)cc1 ZINC001282484671 809251383 /nfs/dbraw/zinc/25/13/83/809251383.db2.gz FXMJECAFFBVSCN-AWEZNQCLSA-N 1 1 274.408 3.046 20 30 CGEDMO C=CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](F)C(C)C ZINC001282677224 809259051 /nfs/dbraw/zinc/25/90/51/809259051.db2.gz YYIKWIZQFMFNTA-HZPDHXFCSA-N 1 1 298.446 3.308 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)C1CC1 ZINC001282673654 809259791 /nfs/dbraw/zinc/25/97/91/809259791.db2.gz AONBCKREDKAMEX-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)CCCCC(C)C)C(C)(C)C1 ZINC001282834470 809264872 /nfs/dbraw/zinc/26/48/72/809264872.db2.gz VYSUYJSJOXIZQQ-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[C@@H](CC)C(C)C)C(C)(C)C1 ZINC001282833146 809265672 /nfs/dbraw/zinc/26/56/72/809265672.db2.gz NDQBYEYTCKRIBR-HZPDHXFCSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)CCCC)C[C@@]2(C)C1 ZINC001282981572 809267825 /nfs/dbraw/zinc/26/78/25/809267825.db2.gz BWCVCIXEHBWMSN-HDICACEKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)C3(C)CC3)C2)C1 ZINC001282964785 809268045 /nfs/dbraw/zinc/26/80/45/809268045.db2.gz LOQBTELXTCDBBA-OAHLLOKOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)C(C)(C)C=C)CC1 ZINC001283318677 809275673 /nfs/dbraw/zinc/27/56/73/809275673.db2.gz CYGPIWZSSPWIKG-OAHLLOKOSA-N 1 1 292.467 3.476 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CCCCC)[C@@H]1C ZINC001284118534 809295939 /nfs/dbraw/zinc/29/59/39/809295939.db2.gz JWKYPQKGCUFURW-GJZGRUSLSA-N 1 1 266.429 3.112 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)CCN(C(=O)C(C)(C)F)C(C)C ZINC001284527843 809306305 /nfs/dbraw/zinc/30/63/05/809306305.db2.gz QZYCFLUGALFRTL-AWEZNQCLSA-N 1 1 286.435 3.258 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)[C@H]1CCC(C)=C(C)C1)C(C)C ZINC001284537295 809308563 /nfs/dbraw/zinc/30/85/63/809308563.db2.gz MOULXFVTKOCIDQ-KRWDZBQOSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)[C@@H]1CC[C@@H](C)C1)C(C)C ZINC001284544816 809309169 /nfs/dbraw/zinc/30/91/69/809309169.db2.gz PKKAXGXFDOMZPK-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CNC(=O)c2ccccc2C)CC1 ZINC001284877538 809319346 /nfs/dbraw/zinc/31/93/46/809319346.db2.gz DTHAXNSYUCTGJU-UHFFFAOYSA-N 1 1 298.430 3.323 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CNC(=O)C2CCCCC2)CC1 ZINC001284877725 809319514 /nfs/dbraw/zinc/31/95/14/809319514.db2.gz GVDMIUSGJISQBE-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)[C@](C)(F)CCCC)CC1 ZINC001284930079 809320611 /nfs/dbraw/zinc/32/06/11/809320611.db2.gz PBDDOTBFAVRFCC-QGZVFWFLSA-N 1 1 296.430 3.229 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@@H]1CN(C)CCc1cccc(C#N)c1 ZINC001175533575 809446726 /nfs/dbraw/zinc/44/67/26/809446726.db2.gz ZPFLZRKCNNKEQJ-LJQANCHMSA-N 1 1 299.462 3.295 20 30 CGEDMO C[N@H+]1CCC=C(Nc2cc(C(F)(F)F)ccc2C#N)C1 ZINC001175578627 809459125 /nfs/dbraw/zinc/45/91/25/809459125.db2.gz HUVHHOVCXZLZTO-UHFFFAOYSA-N 1 1 281.281 3.208 20 30 CGEDMO C[N@H+]1CCC=C(Nc2cc(C#N)ccc2C(F)(F)F)C1 ZINC001175580950 809461681 /nfs/dbraw/zinc/46/16/81/809461681.db2.gz VJDHSKWJTZQUHW-UHFFFAOYSA-N 1 1 281.281 3.208 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1ccc(Cl)cc1OC ZINC001176814705 809764476 /nfs/dbraw/zinc/76/44/76/809764476.db2.gz PLVZGSGPRAPDLD-ZDUSSCGKSA-N 1 1 251.757 3.499 20 30 CGEDMO CC(C)[C@H]1C[C@@H](N2CCCC2)C[N@@H+]1Cc1cccc(C#N)c1 ZINC001176888097 809767783 /nfs/dbraw/zinc/76/77/83/809767783.db2.gz XYWSIGFROXDOOC-RTBURBONSA-N 1 1 297.446 3.253 20 30 CGEDMO CC(C)[C@H]1C[C@@H](N2CCCC2)C[N@H+]1Cc1cccc(C#N)c1 ZINC001176888097 809767787 /nfs/dbraw/zinc/76/77/87/809767787.db2.gz XYWSIGFROXDOOC-RTBURBONSA-N 1 1 297.446 3.253 20 30 CGEDMO COc1cccc(F)c1C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC001179681867 809936239 /nfs/dbraw/zinc/93/62/39/809936239.db2.gz RTPUGHHSIOZFFL-UHFFFAOYSA-N 1 1 284.334 3.304 20 30 CGEDMO C=C(C)C[C@H]([NH2+]C1CCC(CSC)CC1)C(=O)OCC ZINC001183551140 810152080 /nfs/dbraw/zinc/15/20/80/810152080.db2.gz OYXCFXUUIWOVCQ-NRXISQOPSA-N 1 1 299.480 3.396 20 30 CGEDMO CC#CC[N@H+](C)Cc1cn(CC)nc1-c1ccccc1 ZINC001184116004 810178046 /nfs/dbraw/zinc/17/80/46/810178046.db2.gz SHFJVEUDEABJGX-UHFFFAOYSA-N 1 1 267.376 3.025 20 30 CGEDMO N#Cc1cnccc1Nc1cc[nH+]c(-c2ccccc2)c1 ZINC001214004536 815356108 /nfs/dbraw/zinc/35/61/08/815356108.db2.gz GAWYCIPSFARVSF-UHFFFAOYSA-N 1 1 272.311 3.181 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)/C=C(/C)CC)[C@@H]2C1 ZINC001187811792 810426091 /nfs/dbraw/zinc/42/60/91/810426091.db2.gz FNZRIHIRDAVVRU-AXHPBSPVSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]2C[N@H+](CC(CC)CC)C[C@H]21 ZINC001188080680 810452264 /nfs/dbraw/zinc/45/22/64/810452264.db2.gz GTJZAKMXOLUHNK-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CC3(C)CC3)[C@@H]2C1 ZINC001188596350 810491756 /nfs/dbraw/zinc/49/17/56/810491756.db2.gz ZGYGCPWYYRMVPT-HRCADAONSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC001188665622 810502004 /nfs/dbraw/zinc/50/20/04/810502004.db2.gz PQDOOXBBLYUPHQ-NVXWUHKLSA-N 1 1 286.419 3.188 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C2CCCCC2)C1 ZINC001188674863 810502624 /nfs/dbraw/zinc/50/26/24/810502624.db2.gz GVCRMAFIZLEVDK-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)c2cccc(C)c2)C1 ZINC001188725454 810508949 /nfs/dbraw/zinc/50/89/49/810508949.db2.gz BLHUUJKFKXPVPC-QGZVFWFLSA-N 1 1 286.419 3.108 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)c2ccoc2C)C1 ZINC001188784268 810514593 /nfs/dbraw/zinc/51/45/93/810514593.db2.gz INPPHCWVWMLFCM-UKRRQHHQSA-N 1 1 290.407 3.089 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)CC(C)=C(C)C)[C@@H]2C1 ZINC001188838927 810517470 /nfs/dbraw/zinc/51/74/70/810517470.db2.gz IRLQAQFOSSJORI-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)CC(=C)C)[C@@H]2C1 ZINC001188886249 810521881 /nfs/dbraw/zinc/52/18/81/810521881.db2.gz VIKQWCAOLSZHCL-YESZJQIVSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@@H](C)CC)[C@@H]2C1 ZINC001189507030 810573747 /nfs/dbraw/zinc/57/37/47/810573747.db2.gz QUQRGXLMADPOBN-YESZJQIVSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CCCCCC(=O)N1CC[C@@H]([N@@H+](C)CCC(C)(C)C)C1 ZINC001189744119 810587311 /nfs/dbraw/zinc/58/73/11/810587311.db2.gz NFMPWQLFWDVCTA-MRXNPFEDSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)CC2(C)CCCC2)C1 ZINC001189961597 810599105 /nfs/dbraw/zinc/59/91/05/810599105.db2.gz ABNUZPGOYSDGED-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO CC(C)C#CC(=O)N1CC[C@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001190054574 810605341 /nfs/dbraw/zinc/60/53/41/810605341.db2.gz RTBDMVDEBRRYHK-INIZCTEOSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[C@H]([N@H+](C)CC(=C)Cl)C1 ZINC001190328670 810620192 /nfs/dbraw/zinc/62/01/92/810620192.db2.gz KDHWKLGEYSSYHU-HNNXBMFYSA-N 1 1 296.842 3.040 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[C@H]([N@@H+](C)CC(=C)Cl)C1 ZINC001190328670 810620198 /nfs/dbraw/zinc/62/01/98/810620198.db2.gz KDHWKLGEYSSYHU-HNNXBMFYSA-N 1 1 296.842 3.040 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)CC(C)(C)CC)C1 ZINC001190370299 810623279 /nfs/dbraw/zinc/62/32/79/810623279.db2.gz JTGFQERUNPIRMD-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO CC[N@@H+](C[C@H](C)C#N)C[C@@H]1CCCC12CCOCC2 ZINC001190642777 810641854 /nfs/dbraw/zinc/64/18/54/810641854.db2.gz HRWMNLFPSWJLCI-CABCVRRESA-N 1 1 264.413 3.065 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@](C)(F)CCCC)C1 ZINC001191040366 810666149 /nfs/dbraw/zinc/66/61/49/810666149.db2.gz IQYOKWXIQXUMJS-GDBMZVCRSA-N 1 1 284.419 3.014 20 30 CGEDMO CCCCCCCCC[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC001191398349 810710155 /nfs/dbraw/zinc/71/01/55/810710155.db2.gz CSZAXOYWQSGZBC-UHFFFAOYSA-N 1 1 266.429 3.044 20 30 CGEDMO CCCCCCCCC[N@H+]1CCN(C2CC2)C(=O)C1 ZINC001191398349 810710158 /nfs/dbraw/zinc/71/01/58/810710158.db2.gz CSZAXOYWQSGZBC-UHFFFAOYSA-N 1 1 266.429 3.044 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C2(C3CC3)CCC2)C1 ZINC001191567503 810726742 /nfs/dbraw/zinc/72/67/42/810726742.db2.gz BLFYUMLSTSXAIS-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001191791022 810741858 /nfs/dbraw/zinc/74/18/58/810741858.db2.gz RKYOHXZWQSDSHE-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C2CC3(CCC3)C2)C1 ZINC001191830052 810748674 /nfs/dbraw/zinc/74/86/74/810748674.db2.gz TVETWWONVHIEBM-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO CC#CCCCC(=O)N1CC[C@H]([N@@H+](C)CCC(C)(C)C)C1 ZINC001191858967 810752620 /nfs/dbraw/zinc/75/26/20/810752620.db2.gz GRCBPONYGASANA-INIZCTEOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)c2occc2C(C)C)C1 ZINC001191950604 810758830 /nfs/dbraw/zinc/75/88/30/810758830.db2.gz VEOGXUNNZUSJCU-CQSZACIVSA-N 1 1 290.407 3.125 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccsc2)C1 ZINC001192093057 810769011 /nfs/dbraw/zinc/76/90/11/810769011.db2.gz GFKWROFIOCZVIG-HNNXBMFYSA-N 1 1 292.448 3.137 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[C@@H]([N@@H+](C)CCCCCF)C1 ZINC001192163718 810772389 /nfs/dbraw/zinc/77/23/89/810772389.db2.gz ZTEHZXIZWLLKKD-NVXWUHKLSA-N 1 1 298.446 3.261 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)CC/C=C/c2ccccc2)C1 ZINC001192326976 810788016 /nfs/dbraw/zinc/78/80/16/810788016.db2.gz VZSKYTUCAGWOAZ-JGZYNSJSSA-N 1 1 298.430 3.199 20 30 CGEDMO C[C@@H](COCc1ccccc1)C[N@H+]1CCC[C@](C)(C#N)C1 ZINC001192461890 810799645 /nfs/dbraw/zinc/79/96/45/810799645.db2.gz ZZKKEFFALAWGEJ-SJLPKXTDSA-N 1 1 286.419 3.465 20 30 CGEDMO C=CC[N@H+](Cc1ccc(C2(C(=O)OC)CC2)cc1)C1CC1 ZINC001192514125 810803617 /nfs/dbraw/zinc/80/36/17/810803617.db2.gz FMBMTCFDNRCURM-UHFFFAOYSA-N 1 1 285.387 3.042 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)CCCCCC(C)C)C1 ZINC001192680692 810815270 /nfs/dbraw/zinc/81/52/70/810815270.db2.gz VZLDSNQDQMDXLV-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO CCCCCCCC[N@@H+]1C[C@@H](N(C)C)[C@@H](SC)C1 ZINC001193020651 810841827 /nfs/dbraw/zinc/84/18/27/810841827.db2.gz CRGVLOLZEWRCBY-CABCVRRESA-N 1 1 272.502 3.324 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)CC(CC)CC)C1 ZINC001193076491 810852164 /nfs/dbraw/zinc/85/21/64/810852164.db2.gz BMHUGAASDQGRAC-CQSZACIVSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)CC(CC)CC)C1 ZINC001193076491 810852172 /nfs/dbraw/zinc/85/21/72/810852172.db2.gz BMHUGAASDQGRAC-CQSZACIVSA-N 1 1 286.847 3.098 20 30 CGEDMO C=CC[C@H]([NH2+][C@@H](C)C1CCCCCC1)C(=O)OC ZINC001193259999 810867588 /nfs/dbraw/zinc/86/75/88/810867588.db2.gz DNUGWYOGNQEIRA-JSGCOSHPSA-N 1 1 253.386 3.053 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC001193365608 810878388 /nfs/dbraw/zinc/87/83/88/810878388.db2.gz UOIZILMOICIZFL-UHFFFAOYSA-N 1 1 271.282 3.429 20 30 CGEDMO CC[N@@H+](Cc1cc(C#N)ccn1)[C@H]1CCCC[C@@H]1C ZINC001193412189 810885942 /nfs/dbraw/zinc/88/59/42/810885942.db2.gz AEHSHYXECGAZIF-BBRMVZONSA-N 1 1 257.381 3.354 20 30 CGEDMO C#CCC[N@H+](C)[C@H]1CCN(C(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001193432028 810886368 /nfs/dbraw/zinc/88/63/68/810886368.db2.gz FFCDZGIMPIOIGL-HOTGVXAUSA-N 1 1 292.467 3.005 20 30 CGEDMO CC[C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC001193460727 810890720 /nfs/dbraw/zinc/89/07/20/810890720.db2.gz MMIOOYNKIFZUDB-NJAFHUGGSA-N 1 1 286.419 3.492 20 30 CGEDMO C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001193479635 810893403 /nfs/dbraw/zinc/89/34/03/810893403.db2.gz YSSHXHPTVDXTKZ-JKSUJKDBSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](F)CCCCCC)C1 ZINC001193479260 810894688 /nfs/dbraw/zinc/89/46/88/810894688.db2.gz UHLRVVKSKAMDNA-HUUCEWRRSA-N 1 1 284.419 3.014 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001193580579 810912763 /nfs/dbraw/zinc/91/27/63/810912763.db2.gz VTCGYHTVUQGVCF-ULQDDVLXSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)CCCCCC)C1 ZINC001193847299 810967679 /nfs/dbraw/zinc/96/76/79/810967679.db2.gz XHYBLKUWLZLGFK-INIZCTEOSA-N 1 1 280.456 3.456 20 30 CGEDMO CCCCCCCOC(=O)N1CC[C@H]([N@@H+](C)C2CC2)C1 ZINC001194003837 810998604 /nfs/dbraw/zinc/99/86/04/810998604.db2.gz AOLORZPONQYUTC-HNNXBMFYSA-N 1 1 282.428 3.262 20 30 CGEDMO C#CCCCCCC[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC001194020835 811003035 /nfs/dbraw/zinc/00/30/35/811003035.db2.gz QPRQIHJRMPGHNF-OAHLLOKOSA-N 1 1 251.414 3.317 20 30 CGEDMO CCCCCCCOC(=O)N[C@]1(C)CCC[N@@H+](C)C1 ZINC001194020225 811002976 /nfs/dbraw/zinc/00/29/76/811002976.db2.gz OPFGFXXBYZBHNN-OAHLLOKOSA-N 1 1 270.417 3.167 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C=C)c2ccccc2)C1 ZINC001194183949 811030784 /nfs/dbraw/zinc/03/07/84/811030784.db2.gz WVJOHGQZGQOECZ-QZTJIDSGSA-N 1 1 298.430 3.065 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CCCC)C(C)C)C1 ZINC001194306752 811048329 /nfs/dbraw/zinc/04/83/29/811048329.db2.gz WWCOWNCOLHPFTQ-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)CCCC2CCCC2)C1 ZINC001194335961 811053932 /nfs/dbraw/zinc/05/39/32/811053932.db2.gz DYPFIMOMBBVZNN-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C)c(Br)c1)C1CC1 ZINC001194435862 811075845 /nfs/dbraw/zinc/07/58/45/811075845.db2.gz PXWYHSSHZHSLTP-UHFFFAOYSA-N 1 1 278.193 3.355 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)CC(C)C)C2)CCCC1 ZINC001194568833 811090757 /nfs/dbraw/zinc/09/07/57/811090757.db2.gz VJSICXCXWUUDLP-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@H]([N@H+](C)CC(C)C)C2)CCCC1 ZINC001194568832 811091969 /nfs/dbraw/zinc/09/19/69/811091969.db2.gz VJSICXCXWUUDLP-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO CCCCCCC[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2C)CC1 ZINC001194713840 811113871 /nfs/dbraw/zinc/11/38/71/811113871.db2.gz IAHZYSSRYSGXRR-HZPDHXFCSA-N 1 1 280.456 3.147 20 30 CGEDMO CCCCCCCCOC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC001194747875 811122719 /nfs/dbraw/zinc/12/27/19/811122719.db2.gz ISPDCLJUDLPGDI-AWEZNQCLSA-N 1 1 270.417 3.167 20 30 CGEDMO CCCCCCCCOC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC001194748209 811123007 /nfs/dbraw/zinc/12/30/07/811123007.db2.gz PCISRAYAJXRSBU-OAHLLOKOSA-N 1 1 284.444 3.415 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)/C=C(/C)C2CC2)CC1 ZINC001195017342 811185584 /nfs/dbraw/zinc/18/55/84/811185584.db2.gz XCKUXVDEFMKVQK-YARYAAFXSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](C)[C@@H]1C(=O)OC(C)(C)C ZINC001195350327 811245850 /nfs/dbraw/zinc/24/58/50/811245850.db2.gz UKUZRDXEJBKMLC-ZIAGYGMSSA-N 1 1 267.413 3.395 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2c[nH]c(=O)c3ccccc23)C1 ZINC001195462813 811256213 /nfs/dbraw/zinc/25/62/13/811256213.db2.gz DJFVRVDDBXPFRD-CQSZACIVSA-N 1 1 280.371 3.176 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C(F)=C(C)C)CC1 ZINC001195474091 811258336 /nfs/dbraw/zinc/25/83/36/811258336.db2.gz TZQJAODXWGSPFR-AWEZNQCLSA-N 1 1 282.403 3.139 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)N1CC[N@@H+](C)[C@H](C(C)(C)C)C1 ZINC001195671053 811278982 /nfs/dbraw/zinc/27/89/82/811278982.db2.gz XDMYPIMUSZUWGI-PBHICJAKSA-N 1 1 285.435 3.281 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCN(C)[C@H](C(C)(C)C)C1 ZINC001195671053 811278988 /nfs/dbraw/zinc/27/89/88/811278988.db2.gz XDMYPIMUSZUWGI-PBHICJAKSA-N 1 1 285.435 3.281 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCN(C)[C@H](C(C)(C)C)C1 ZINC001195671053 811278992 /nfs/dbraw/zinc/27/89/92/811278992.db2.gz XDMYPIMUSZUWGI-PBHICJAKSA-N 1 1 285.435 3.281 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C(C)=C2CCC2)CC1 ZINC001195746501 811284874 /nfs/dbraw/zinc/28/48/74/811284874.db2.gz DOMNKYVNMPOONS-HNNXBMFYSA-N 1 1 290.451 3.376 20 30 CGEDMO CC[C@H]1C[N@@H+](Cc2c(C)cc(C#N)cc2C)[C@@H](C)CO1 ZINC001195749284 811287057 /nfs/dbraw/zinc/28/70/57/811287057.db2.gz RWYRIQZPPNVALT-HOCLYGCPSA-N 1 1 272.392 3.174 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@H](F)C2)CC1 ZINC001195768543 811289047 /nfs/dbraw/zinc/28/90/47/811289047.db2.gz DAHMVSHDBHAHIR-CVEARBPZSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[N@H+](C[C@@H](C)CC)CC1 ZINC001195981721 811307958 /nfs/dbraw/zinc/30/79/58/811307958.db2.gz DRPLHHMYQDKINJ-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC001196018476 811310926 /nfs/dbraw/zinc/31/09/26/811310926.db2.gz WAJZXGLSPKLVKM-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CCCCC3)C1 ZINC001196038554 811313317 /nfs/dbraw/zinc/31/33/17/811313317.db2.gz BWPLFHUACZSXOJ-HZPDHXFCSA-N 1 1 276.424 3.351 20 30 CGEDMO C=CC[N@H+](CCSCc1ccccc1)[C@@H](C)COC ZINC001196047729 811313488 /nfs/dbraw/zinc/31/34/88/811313488.db2.gz CPCCCQYZHZVYCK-HNNXBMFYSA-N 1 1 279.449 3.443 20 30 CGEDMO C#CCCCCCC[N@@H+]1CC[C@H](Oc2ccc(C)cn2)C1 ZINC001196575764 811353074 /nfs/dbraw/zinc/35/30/74/811353074.db2.gz XDIBNWBLMVQWML-KRWDZBQOSA-N 1 1 286.419 3.427 20 30 CGEDMO C#CCC[N@@H+]1CCCN(C(=O)C[C@H](CC)CCCC)CC1 ZINC001196574761 811353108 /nfs/dbraw/zinc/35/31/08/811353108.db2.gz RJUIJYWBHXUOQH-QGZVFWFLSA-N 1 1 292.467 3.151 20 30 CGEDMO C#CCCCCCC(=O)N1CCC[N@H+](C[C@@H](C)CC)CC1 ZINC001196753127 811362203 /nfs/dbraw/zinc/36/22/03/811362203.db2.gz KWDPGLVECKFTFG-KRWDZBQOSA-N 1 1 292.467 3.151 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1CCC[N@H+](C[C@@H](C)CC)CC1 ZINC001196881139 811377339 /nfs/dbraw/zinc/37/73/39/811377339.db2.gz QBGVCQITEUIBCV-JKSUJKDBSA-N 1 1 280.456 3.169 20 30 CGEDMO Clc1ccc(C#CC[N@H+]2CC[C@H]3CSC[C@@H]3C2)cc1 ZINC001197032787 811391014 /nfs/dbraw/zinc/39/10/14/811391014.db2.gz SKILVWIQARMDPI-GJZGRUSLSA-N 1 1 291.847 3.376 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[N@H+](CC/C=C\CC)CC1 ZINC001197038866 811394061 /nfs/dbraw/zinc/39/40/61/811394061.db2.gz ZLJBUOGRMNDQPZ-CNZFZVQHSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)C[C@H](C)CC(C)(C)C)CC1 ZINC001197262551 811408163 /nfs/dbraw/zinc/40/81/63/811408163.db2.gz NFCMBNWKGYWOQZ-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)[C@H](C)[C@@H](C)C(C)(C)C)CC1 ZINC001197428740 811422983 /nfs/dbraw/zinc/42/29/83/811422983.db2.gz ZPRVCWTWBOJWSA-HZPDHXFCSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@@H](C)[C@@H](C)CC)CC1 ZINC001197596467 811431763 /nfs/dbraw/zinc/43/17/63/811431763.db2.gz IDDJFZLPZQLPNK-HOTGVXAUSA-N 1 1 280.456 3.169 20 30 CGEDMO C#CC[N@H+](CC(=O)Nc1cccc(Cl)c1)C(C)(C)C ZINC001197930357 811465204 /nfs/dbraw/zinc/46/52/04/811465204.db2.gz QUDIODMSXIBABV-UHFFFAOYSA-N 1 1 278.783 3.012 20 30 CGEDMO C#CC[N@@H+](CC(=O)Nc1cccc(Cl)c1)C(C)(C)C ZINC001197930357 811465207 /nfs/dbraw/zinc/46/52/07/811465207.db2.gz QUDIODMSXIBABV-UHFFFAOYSA-N 1 1 278.783 3.012 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)C[C@H](C)C(C)(C)C)CC1 ZINC001197943310 811466089 /nfs/dbraw/zinc/46/60/89/811466089.db2.gz PUYXZVHJQAVSLW-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1CCC(=O)Nc1cc(F)ccc1C ZINC001198489834 811508446 /nfs/dbraw/zinc/50/84/46/811508446.db2.gz DIOAJKRVRRSVBP-CQSZACIVSA-N 1 1 276.355 3.113 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](Oc2nccnc2C)C1 ZINC001201798384 811966082 /nfs/dbraw/zinc/96/60/82/811966082.db2.gz WKUXHFDNPDAFKQ-OAHLLOKOSA-N 1 1 277.412 3.209 20 30 CGEDMO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](CCC(C)(C)C)C2 ZINC001202073279 812009686 /nfs/dbraw/zinc/00/96/86/812009686.db2.gz LVUADHXLQBRNHR-AEFFLSMTSA-N 1 1 295.467 3.496 20 30 CGEDMO C=CCN1C(=O)CC[C@@]12CCC[N@H+](CCC(C)(C)C)CC2 ZINC001202072993 812009717 /nfs/dbraw/zinc/00/97/17/812009717.db2.gz HYWGIRQVCRJHDG-GOSISDBHSA-N 1 1 292.467 3.456 20 30 CGEDMO N#Cc1ccccc1N1CC[NH+](CCCC(F)(F)F)CC1 ZINC001202368324 812077184 /nfs/dbraw/zinc/07/71/84/812077184.db2.gz NJZDRVAAICDLBG-UHFFFAOYSA-N 1 1 297.324 3.023 20 30 CGEDMO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccoc2)C1 ZINC001204243634 812583993 /nfs/dbraw/zinc/58/39/93/812583993.db2.gz BQRVYQWOFFYIBC-MRXNPFEDSA-N 1 1 282.343 3.195 20 30 CGEDMO Cc1[nH]c2ccccc2c1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC001204293162 812602598 /nfs/dbraw/zinc/60/25/98/812602598.db2.gz VKWFACMHZRCACD-INIZCTEOSA-N 1 1 253.349 3.212 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)cc1 ZINC001204297659 812603203 /nfs/dbraw/zinc/60/32/03/812603203.db2.gz MMOWIAIKEKCEGC-WMZOPIPTSA-N 1 1 287.403 3.252 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)cc1 ZINC001204300756 812604351 /nfs/dbraw/zinc/60/43/51/812604351.db2.gz KDBPZVZXOAAROL-QILLFSRXSA-N 1 1 287.403 3.251 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@@](C)(O)CC2)cc1 ZINC001204298310 812605088 /nfs/dbraw/zinc/60/50/88/812605088.db2.gz ZTACCBKIUDFHHT-QAPCUYQASA-N 1 1 289.419 3.234 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cn(C)c3ccccc23)C1 ZINC001204319888 812610894 /nfs/dbraw/zinc/61/08/94/812610894.db2.gz CHNDVYJTLIKNAP-CQSZACIVSA-N 1 1 252.361 3.024 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204321746 812612694 /nfs/dbraw/zinc/61/26/94/812612694.db2.gz JYSFDMUKDJUHMX-MRXNPFEDSA-N 1 1 283.419 3.412 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204321103 812612888 /nfs/dbraw/zinc/61/28/88/812612888.db2.gz GKXHMLCDTJEARI-INIZCTEOSA-N 1 1 268.404 3.132 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@@H](C#N)CC2)c2ccccc21 ZINC001204326609 812614442 /nfs/dbraw/zinc/61/44/42/812614442.db2.gz WBNIRMUQMCTCJC-CQSZACIVSA-N 1 1 267.376 3.304 20 30 CGEDMO C[N@@H+](Cc1cc2cnccc2o1)Cc1cccc(C#N)c1 ZINC001205077895 812849613 /nfs/dbraw/zinc/84/96/13/812849613.db2.gz VJPDESZKPKULKG-UHFFFAOYSA-N 1 1 277.327 3.331 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(C(F)(F)F)nc1 ZINC001205442201 812983784 /nfs/dbraw/zinc/98/37/84/812983784.db2.gz UXZYQOZSKHXDRM-UHFFFAOYSA-N 1 1 258.287 3.498 20 30 CGEDMO N#Cc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)ccc1F ZINC001205459098 812987211 /nfs/dbraw/zinc/98/72/11/812987211.db2.gz BIBCDIXZFPDLIU-BETUJISGSA-N 1 1 280.293 3.174 20 30 CGEDMO N#Cc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)ccc1F ZINC001205459098 812987217 /nfs/dbraw/zinc/98/72/17/812987217.db2.gz BIBCDIXZFPDLIU-BETUJISGSA-N 1 1 280.293 3.174 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]2Cc2ccccn2)ccc1F ZINC001205479200 812989216 /nfs/dbraw/zinc/98/92/16/812989216.db2.gz VUODVOSFTCQPBG-QGZVFWFLSA-N 1 1 295.361 3.299 20 30 CGEDMO C=CC[C@H]([NH2+][C@H](CC)C[C@@H](C)CC)C(=O)OCC ZINC001205659051 813043567 /nfs/dbraw/zinc/04/35/67/813043567.db2.gz ASKYXQRGJPWDAE-MJBXVCDLSA-N 1 1 255.402 3.299 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CCC2)C1 ZINC001205709814 813057093 /nfs/dbraw/zinc/05/70/93/813057093.db2.gz AHEGOUJHBFWUMM-GDBMZVCRSA-N 1 1 280.456 3.193 20 30 CGEDMO Cc1cc(-c2noc([C@@H]3CC[N@H+]3C(C)C)n2)ccc1C#N ZINC001206032288 813173241 /nfs/dbraw/zinc/17/32/41/813173241.db2.gz AROFPDSDWZDKNO-AWEZNQCLSA-N 1 1 282.347 3.072 20 30 CGEDMO Cc1cc(-c2noc([C@@H]3CC[N@@H+]3C(C)C)n2)ccc1C#N ZINC001206032288 813173242 /nfs/dbraw/zinc/17/32/42/813173242.db2.gz AROFPDSDWZDKNO-AWEZNQCLSA-N 1 1 282.347 3.072 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC(C)(C)C)C1 ZINC001206034641 813174236 /nfs/dbraw/zinc/17/42/36/813174236.db2.gz HXTXQEFHNYMECZ-QLFBSQMISA-N 1 1 280.456 3.214 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](CC2(c3ccc4c(c3)OCO4)CC2)C1 ZINC001206411754 813316935 /nfs/dbraw/zinc/31/69/35/813316935.db2.gz ZPPIKOCQAPCOFM-HNNXBMFYSA-N 1 1 297.398 3.182 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@H]2CCc3ccccc32)C[C@H]1C ZINC001206537396 813342334 /nfs/dbraw/zinc/34/23/34/813342334.db2.gz SKERTQUGDBFLQP-OLMNPRSZSA-N 1 1 298.430 3.077 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cc(C)c(C3OCCO3)cc2C)C1 ZINC001206800517 813439406 /nfs/dbraw/zinc/43/94/06/813439406.db2.gz LAHSLQDKZXCRAL-INIZCTEOSA-N 1 1 299.414 3.194 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC(C)(C)C2)C1 ZINC001206920115 813459054 /nfs/dbraw/zinc/45/90/54/813459054.db2.gz AZKFLBMPOIVZAP-IIAWOOMASA-N 1 1 292.467 3.214 20 30 CGEDMO C#CC1CC[NH+](Cc2c(F)cccc2OC(F)F)CC1 ZINC001207117778 813489602 /nfs/dbraw/zinc/48/96/02/813489602.db2.gz ZGYDEMFXEUGNSL-UHFFFAOYSA-N 1 1 283.293 3.272 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](CC(CC)CC)C[C@H]1C ZINC001207171924 813503958 /nfs/dbraw/zinc/50/39/58/813503958.db2.gz KDZUGCHUBXBTHZ-GDBMZVCRSA-N 1 1 294.483 3.461 20 30 CGEDMO N#C[C@H]1CC[N@H+](C[C@@H]2C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001207192162 813512401 /nfs/dbraw/zinc/51/24/01/813512401.db2.gz PDWFQJUADPNVLD-OSAQELSMSA-N 1 1 260.768 3.289 20 30 CGEDMO C=CCN(CC[N@H+]1CCC(C)(C)C1)C(=O)OC(C)(C)C ZINC001207206690 813515170 /nfs/dbraw/zinc/51/51/70/813515170.db2.gz YKRNOBVXPXZHLX-UHFFFAOYSA-N 1 1 282.428 3.141 20 30 CGEDMO C=CCN(CC[N@@H+]1CCC[C@H](C)C1)C(=O)OC(C)(C)C ZINC001207199780 813515732 /nfs/dbraw/zinc/51/57/32/813515732.db2.gz STAQDEXZTJXNGS-AWEZNQCLSA-N 1 1 282.428 3.141 20 30 CGEDMO C=CCN(CC[N@H+](C)CC1CCC1)C(=O)OC(C)(C)C ZINC001207205824 813516008 /nfs/dbraw/zinc/51/60/08/813516008.db2.gz OKIWHUQFPYPHHC-UHFFFAOYSA-N 1 1 282.428 3.141 20 30 CGEDMO C=CCCCCCCCCC[N@@H+]1CCOC[C@](C)(O)C1 ZINC001207899192 813667915 /nfs/dbraw/zinc/66/79/15/813667915.db2.gz PMCYRVXDBWAVIZ-QGZVFWFLSA-N 1 1 283.456 3.376 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@H](C)[C@H]2CO)CC1 ZINC001208171749 813725937 /nfs/dbraw/zinc/72/59/37/813725937.db2.gz YRNQBXJIATXRFV-USXIJHARSA-N 1 1 263.425 3.382 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)CC1 ZINC001208171724 813725991 /nfs/dbraw/zinc/72/59/91/813725991.db2.gz YDDXTIVIGPIJDB-KFWWJZLASA-N 1 1 283.362 3.255 20 30 CGEDMO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](C[C@@H](C)CC)C[C@H]1C ZINC001208315061 813754114 /nfs/dbraw/zinc/75/41/14/813754114.db2.gz HRXWIXPXOQWBDM-GVDBMIGSSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CC/C=C/CC)C[C@H]1C ZINC001208511840 813764896 /nfs/dbraw/zinc/76/48/96/813764896.db2.gz LTBYOWFAVGWGMI-FTVWBCRMSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCCC1(C(=O)N[C@@H]2C[N@@H+](CCC(C)C)C[C@H]2C)CC1 ZINC001208515438 813765468 /nfs/dbraw/zinc/76/54/68/813765468.db2.gz NJLURTQNOUUZNZ-HZPDHXFCSA-N 1 1 292.467 3.215 20 30 CGEDMO N#C[C@H]1CCCN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001208588395 813769198 /nfs/dbraw/zinc/76/91/98/813769198.db2.gz HRUQZHFNEVVEIK-MOPGFXCFSA-N 1 1 297.446 3.277 20 30 CGEDMO COC(=O)[C@H](C)C[N@@H+](CCC#N)C1CCCCCCC1 ZINC001208719121 813814085 /nfs/dbraw/zinc/81/40/85/813814085.db2.gz PHLCTDWWLWFQGJ-CQSZACIVSA-N 1 1 280.412 3.124 20 30 CGEDMO C[N@@H+](CCCc1cccc(C#N)c1)C[C@@H]1CC1(C)C ZINC001208850933 813866968 /nfs/dbraw/zinc/86/69/68/813866968.db2.gz OUGHYJPZOWVZKJ-INIZCTEOSA-N 1 1 256.393 3.469 20 30 CGEDMO N#Cc1ccc(CCC[N@H+]2CC[C@@H](c3cccnc3)C2)cc1 ZINC001208858301 813868237 /nfs/dbraw/zinc/86/82/37/813868237.db2.gz JSRZZGDPXVHOJM-LJQANCHMSA-N 1 1 291.398 3.375 20 30 CGEDMO N#Cc1ccc(CCC[N@@H+]2CCC[C@H](C(F)F)C2)cc1 ZINC001208858937 813871115 /nfs/dbraw/zinc/87/11/15/813871115.db2.gz QKDWEBSLUMQKJY-HNNXBMFYSA-N 1 1 278.346 3.468 20 30 CGEDMO C[N@@H+](CCCc1ccc(C#N)cc1)C[C@H]1CC1(C)C ZINC001208862932 813871936 /nfs/dbraw/zinc/87/19/36/813871936.db2.gz SKJYFUFTQHQQDE-MRXNPFEDSA-N 1 1 256.393 3.469 20 30 CGEDMO C[N@@H+](CCCc1ccc(C#N)cc1)Cc1ccccn1 ZINC001208860872 813872643 /nfs/dbraw/zinc/87/26/43/813872643.db2.gz VDQLBRVANAPDPA-UHFFFAOYSA-N 1 1 265.360 3.018 20 30 CGEDMO Cc1cnc2c(c1)C[N@H+](CCCc1ccc(C#N)cc1)CC2 ZINC001208864703 813874395 /nfs/dbraw/zinc/87/43/95/813874395.db2.gz QEQKMSKCPWXOOW-UHFFFAOYSA-N 1 1 291.398 3.253 20 30 CGEDMO N#Cc1ccc(O[C@@H]2CCC[N@@H+](C[C@H]3CCC=CO3)C2)cc1 ZINC001208885157 813880761 /nfs/dbraw/zinc/88/07/61/813880761.db2.gz KMSYGNSPANQYMR-QZTJIDSGSA-N 1 1 298.386 3.094 20 30 CGEDMO C[N@@H+]1CC=C(Nc2ccccc2-c2ccc(C#N)cn2)CC1 ZINC001208980044 813910879 /nfs/dbraw/zinc/91/08/79/813910879.db2.gz OVXWEUMJSVPQHH-UHFFFAOYSA-N 1 1 290.370 3.252 20 30 CGEDMO N#C[C@H]1CCC[N@H+](CCc2cc(F)cc(F)c2)CC1 ZINC001209139587 813946055 /nfs/dbraw/zinc/94/60/55/813946055.db2.gz CHIZOXXOLAVYRI-LBPRGKRZSA-N 1 1 264.319 3.133 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2OCC1CC1 ZINC001209160803 813951209 /nfs/dbraw/zinc/95/12/09/813951209.db2.gz CKMHTSBFLBYZKX-IXDOHACOSA-N 1 1 263.425 3.480 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2C[C@@H](CN(C(=O)OC(C)(C)C)C2)C1 ZINC001209158675 813951550 /nfs/dbraw/zinc/95/15/50/813951550.db2.gz VWOKSBVEWYYCJV-GASCZTMLSA-N 1 1 294.439 3.141 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]2OCCC[C@@]2(COCC=C)C1 ZINC001209162648 813954095 /nfs/dbraw/zinc/95/40/95/813954095.db2.gz XMRHJGCPJGZBEZ-IRXDYDNUSA-N 1 1 279.424 3.026 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H](C(=O)OCc2ccccc2)C1 ZINC001209165589 813955419 /nfs/dbraw/zinc/95/54/19/813955419.db2.gz SADAALZQVCACHL-KRWDZBQOSA-N 1 1 287.403 3.408 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@H](CC(=O)OCC)C1 ZINC001209201873 813965127 /nfs/dbraw/zinc/96/51/27/813965127.db2.gz XKRCCNBHFDEESR-CQSZACIVSA-N 1 1 253.386 3.008 20 30 CGEDMO CCCC[N@@H+](CCC#N)CC1C[C@@H](C)O[C@H](C)C1 ZINC001209388657 814010274 /nfs/dbraw/zinc/01/02/74/814010274.db2.gz NYMRTYANHXXHBC-ZIAGYGMSSA-N 1 1 252.402 3.206 20 30 CGEDMO C[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001209422901 814023992 /nfs/dbraw/zinc/02/39/92/814023992.db2.gz ZSZXUCIMNDUBLA-VNQPRFMTSA-N 1 1 270.376 3.057 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](C(=O)OC)[C@H]1C ZINC001209428547 814029345 /nfs/dbraw/zinc/02/93/45/814029345.db2.gz KZSLFPBQSXUESJ-KGLIPLIRSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](C(=O)OCC)[C@H]1C ZINC001209428480 814029802 /nfs/dbraw/zinc/02/98/02/814029802.db2.gz HFEBSCDGAIRIOZ-CABCVRRESA-N 1 1 267.413 3.396 20 30 CGEDMO C=CCCCCC[N@H+](CCC)C1CCN(C(C)=O)CC1 ZINC001209428991 814030196 /nfs/dbraw/zinc/03/01/96/814030196.db2.gz QRUXNHRTCNMQOS-UHFFFAOYSA-N 1 1 280.456 3.456 20 30 CGEDMO C=CCCCCCC[N@H+]1CCCN(c2ncccn2)CC1 ZINC001209435899 814036153 /nfs/dbraw/zinc/03/61/53/814036153.db2.gz KMRWQXWUUJRCMD-UHFFFAOYSA-N 1 1 288.439 3.125 20 30 CGEDMO C=CCCCCCCC[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC001209442800 814044065 /nfs/dbraw/zinc/04/40/65/814044065.db2.gz WRCXMMDNHJZXFT-INIZCTEOSA-N 1 1 276.428 3.442 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)Cc1cnc(OC)c(OC)c1 ZINC001209621479 814100935 /nfs/dbraw/zinc/10/09/35/814100935.db2.gz XXIGJAIJYBZHMO-UHFFFAOYSA-N 1 1 298.386 3.287 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cnc(OC)c(OC)c1 ZINC001209621479 814100936 /nfs/dbraw/zinc/10/09/36/814100936.db2.gz XXIGJAIJYBZHMO-UHFFFAOYSA-N 1 1 298.386 3.287 20 30 CGEDMO Cn1cc(C[N@@H+](C)Cc2cccc(C#N)c2)c2cccnc21 ZINC001209750220 814128462 /nfs/dbraw/zinc/12/84/62/814128462.db2.gz FZLKMYNKVHIXEM-UHFFFAOYSA-N 1 1 290.370 3.077 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)CCC)C1 ZINC001209800197 814146454 /nfs/dbraw/zinc/14/64/54/814146454.db2.gz QXVBSTVBALQSHY-BZUAXINKSA-N 1 1 280.456 3.215 20 30 CGEDMO N#Cc1cc(Nc2ccc3[nH]c[nH+]c3c2)cc(F)c1F ZINC001209847401 814164483 /nfs/dbraw/zinc/16/44/83/814164483.db2.gz AMTNVRRMEXFSOB-UHFFFAOYSA-N 1 1 270.242 3.456 20 30 CGEDMO N#Cc1ccc(Nc2ccc3[nH]c[nH+]c3c2)c(F)c1F ZINC001209848202 814166455 /nfs/dbraw/zinc/16/64/55/814166455.db2.gz IBJSDXJDPAGMGH-UHFFFAOYSA-N 1 1 270.242 3.456 20 30 CGEDMO C#CCOc1ccc(Nc2ccc3[nH]c[nH+]c3c2)cc1 ZINC001209848620 814167778 /nfs/dbraw/zinc/16/77/78/814167778.db2.gz NKBPIAPMIDRDEC-UHFFFAOYSA-N 1 1 263.300 3.319 20 30 CGEDMO Cc1cc(C#N)cc(Nc2cccc3[nH+]cn(C)c32)c1 ZINC001210391133 814439372 /nfs/dbraw/zinc/43/93/72/814439372.db2.gz KFYPLRIHDIDQHX-UHFFFAOYSA-N 1 1 262.316 3.497 20 30 CGEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)CCCCC)C1 ZINC001211218495 814853763 /nfs/dbraw/zinc/85/37/63/814853763.db2.gz XTYVOUSZHDJZBM-BRWVUGGUSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nnc([C@@H]2C[C@H]2c2ccccc2)o1 ZINC001217757162 815954691 /nfs/dbraw/zinc/95/46/91/815954691.db2.gz DXHFTSHGKHPDNL-ZNMIVQPWSA-N 1 1 281.359 3.144 20 30 CGEDMO C=C[C@H](CCCCCC)OCCCC[C@H]([NH3+])C(=O)OC ZINC001217896829 815996074 /nfs/dbraw/zinc/99/60/74/815996074.db2.gz TVJVRNLMOPGZDT-CABCVRRESA-N 1 1 285.428 3.199 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCCCC)[C@@H]2C1 ZINC001221278737 816308282 /nfs/dbraw/zinc/30/82/82/816308282.db2.gz CXEACXWQYBSFFW-GVDBMIGSSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)/C=C\C(C)(C)C)[C@@H]2C1 ZINC001221452429 816314977 /nfs/dbraw/zinc/31/49/77/816314977.db2.gz ASZHAWGXMJTLIZ-JBILIXEDSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CCC3CCC3)[C@@H]2C1 ZINC001221471831 816315693 /nfs/dbraw/zinc/31/56/93/816315693.db2.gz BMKKSFBBITTWMR-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C3(C)CC3)[C@@H]2C1 ZINC001221563611 816320809 /nfs/dbraw/zinc/32/08/09/816320809.db2.gz YVMZSAGQOPGNJS-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@](C)(F)CCCC)[C@@H]2C1 ZINC001221661250 816323604 /nfs/dbraw/zinc/32/36/04/816323604.db2.gz QPQPLJKPRULZKL-BFYDXBDKSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001221780035 816328452 /nfs/dbraw/zinc/32/84/52/816328452.db2.gz YONNWTZRPFLCRT-QZTJIDSGSA-N 1 1 298.430 3.076 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)CCC)[C@@H]2C1 ZINC001221900383 816335316 /nfs/dbraw/zinc/33/53/16/816335316.db2.gz FUAZKEWEYCKSJU-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@@H](C)CC)C[C@@H]21 ZINC001222589416 816473138 /nfs/dbraw/zinc/47/31/38/816473138.db2.gz ZMLYNHKJNXZQNO-CFVMTHIKSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H](C)CC)C[C@@H]21 ZINC001222589416 816473141 /nfs/dbraw/zinc/47/31/41/816473141.db2.gz ZMLYNHKJNXZQNO-CFVMTHIKSA-N 1 1 298.858 3.098 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H](O[C@H](C#N)c2ccccc2)C1 ZINC001223708297 816668864 /nfs/dbraw/zinc/66/88/64/816668864.db2.gz BFTTZLKPLUUUFC-JKSUJKDBSA-N 1 1 258.365 3.141 20 30 CGEDMO C=C/C(C)=C\CC(=O)NCC1CC[NH+](CC(=C)Cl)CC1 ZINC001224144303 816742131 /nfs/dbraw/zinc/74/21/31/816742131.db2.gz QAIMLHMWCUZEHQ-ACAGNQJTSA-N 1 1 296.842 3.090 20 30 CGEDMO C=CCCO[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001224339205 816782368 /nfs/dbraw/zinc/78/23/68/816782368.db2.gz GRJJCADIQIYDGZ-WBVHZDCISA-N 1 1 259.393 3.490 20 30 CGEDMO C=C[C@]1(C)CC[C@@H](C(C)(C)OC[C@H]2CCCC[N@@H+]2C)O1 ZINC001224701108 816856548 /nfs/dbraw/zinc/85/65/48/816856548.db2.gz CTSRYRGMNPJEGM-HLLBOEOZSA-N 1 1 281.440 3.390 20 30 CGEDMO C=C[C@@H](Oc1cccnc1C[NH+](C)C)c1ccccc1 ZINC001225282240 816994120 /nfs/dbraw/zinc/99/41/20/816994120.db2.gz QCEINKMQWOPECT-MRXNPFEDSA-N 1 1 268.360 3.449 20 30 CGEDMO Cc1cccc(O[C@@H]2CCC[N@H+](C(C)C)C2)c1C#N ZINC001226919860 817504832 /nfs/dbraw/zinc/50/48/32/817504832.db2.gz DIWBLKRCIADDLK-CQSZACIVSA-N 1 1 258.365 3.118 20 30 CGEDMO CCCCc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)cc1 ZINC001227623932 817685679 /nfs/dbraw/zinc/68/56/79/817685679.db2.gz VLBPPSCRPYYGNA-PFJGLKMASA-N 1 1 287.403 3.020 20 30 CGEDMO CCCCc1ccc(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)cc1 ZINC001227623932 817685682 /nfs/dbraw/zinc/68/56/82/817685682.db2.gz VLBPPSCRPYYGNA-PFJGLKMASA-N 1 1 287.403 3.020 20 30 CGEDMO C=CCc1ccc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(OC)c1 ZINC001227927223 817757363 /nfs/dbraw/zinc/75/73/63/817757363.db2.gz SPOMFJCWJAWHEW-MUJYYYPQSA-N 1 1 287.403 3.428 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)CCC=C ZINC001231170125 818050360 /nfs/dbraw/zinc/05/03/60/818050360.db2.gz NCANYZGLVUYNFX-INIZCTEOSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1C[C@H](C)CC(C)C ZINC001231169506 818051236 /nfs/dbraw/zinc/05/12/36/818051236.db2.gz HVQYKTCZZRDNKT-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)CC1=CCCCC1 ZINC001231261848 818065649 /nfs/dbraw/zinc/06/56/49/818065649.db2.gz BLQGVIONECUYQJ-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CC=CC1 ZINC001231341007 818079513 /nfs/dbraw/zinc/07/95/13/818079513.db2.gz GMVULAJHHNOIFT-QGZVFWFLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)c1 ZINC001231621962 818137920 /nfs/dbraw/zinc/13/79/20/818137920.db2.gz MYEDKAXPVHDNJS-FUHWJXTLSA-N 1 1 287.403 3.252 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cc(OC)c(O)cc1O ZINC001231637361 818143893 /nfs/dbraw/zinc/14/38/93/818143893.db2.gz KKUIZEYSEHFNBT-UHFFFAOYSA-N 1 1 299.370 3.295 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC001231659375 818150060 /nfs/dbraw/zinc/15/00/60/818150060.db2.gz KHQPRSBCMGFFPF-CQSZACIVSA-N 1 1 267.294 3.442 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CCC[C@H]2c2cccnc2)c1 ZINC001231656827 818150088 /nfs/dbraw/zinc/15/00/88/818150088.db2.gz SZUALQHSXGRSGC-SFHVURJKSA-N 1 1 262.356 3.400 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CCC[C@H]2c2nccs2)c1 ZINC001231662087 818152171 /nfs/dbraw/zinc/15/21/71/818152171.db2.gz DRTVWIBVCLDEBQ-HNNXBMFYSA-N 1 1 268.385 3.462 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CCC[C@H]2c2nccs2)c1 ZINC001231662087 818152174 /nfs/dbraw/zinc/15/21/74/818152174.db2.gz DRTVWIBVCLDEBQ-HNNXBMFYSA-N 1 1 268.385 3.462 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CC[C@H](CC(=O)OCC)[C@H](C)C2)c1 ZINC001231664657 818153621 /nfs/dbraw/zinc/15/36/21/818153621.db2.gz UGAIPXUMXHGVIB-CRAIPNDOSA-N 1 1 299.414 3.079 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)c(OC(C)=O)c1)C(C)(C)C ZINC001231711875 818160160 /nfs/dbraw/zinc/16/01/60/818160160.db2.gz NWHSLZGSLFKZIO-UHFFFAOYSA-N 1 1 291.391 3.407 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@H+]2CCCC[C@H](F)C2)cc1 ZINC001231815796 818184674 /nfs/dbraw/zinc/18/46/74/818184674.db2.gz BJJALLNVSQMWSB-INIZCTEOSA-N 1 1 289.398 3.360 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(Cl)c2)CCC[C@]1(C)O ZINC001232111199 818258036 /nfs/dbraw/zinc/25/80/36/818258036.db2.gz BRFVGJGFCVBDNZ-WBMJQRKESA-N 1 1 292.810 3.195 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)cc1Cl ZINC001232112180 818258077 /nfs/dbraw/zinc/25/80/77/818258077.db2.gz QJOLAKDYSWFELZ-OKILXGFUSA-N 1 1 260.768 3.444 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cnn(C)c1-c1ccc(OC)cc1 ZINC001232113289 818258248 /nfs/dbraw/zinc/25/82/48/818258248.db2.gz ZQDZFLIIJFUJQK-UHFFFAOYSA-N 1 1 299.418 3.494 20 30 CGEDMO CCO[C@H]1CCC[N@H+](Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232119570 818259839 /nfs/dbraw/zinc/25/98/39/818259839.db2.gz GPVHJKDNJVCBAW-AWEZNQCLSA-N 1 1 278.783 3.213 20 30 CGEDMO CCO[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232119570 818259840 /nfs/dbraw/zinc/25/98/40/818259840.db2.gz GPVHJKDNJVCBAW-AWEZNQCLSA-N 1 1 278.783 3.213 20 30 CGEDMO CO[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(Cl)c2)CC1 ZINC001232115402 818260243 /nfs/dbraw/zinc/26/02/43/818260243.db2.gz OBWSPZNKIOCKGG-AWEZNQCLSA-N 1 1 278.783 3.213 20 30 CGEDMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)c(C)c1 ZINC001232187050 818271109 /nfs/dbraw/zinc/27/11/09/818271109.db2.gz DDSWPBPFBZYLGX-HNNXBMFYSA-N 1 1 285.391 3.079 20 30 CGEDMO C=CC[NH+](CC=C)Cc1ccnc(C(F)(F)F)c1 ZINC001232241283 818289465 /nfs/dbraw/zinc/28/94/65/818289465.db2.gz MFGSMKQMJRFLQN-UHFFFAOYSA-N 1 1 256.271 3.274 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2nccc3ccccc32)CC1 ZINC001232248701 818292202 /nfs/dbraw/zinc/29/22/02/818292202.db2.gz VEFYDJKRMHMFIO-AWEZNQCLSA-N 1 1 265.360 3.360 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2c[nH]c3nccc(Cl)c23)CC1 ZINC001232460689 818358626 /nfs/dbraw/zinc/35/86/26/818358626.db2.gz UTCUYTMHTMCPEO-LLVKDONJSA-N 1 1 288.782 3.342 20 30 CGEDMO COc1ccccc1[C@@H](C)[N@H+](C)Cc1cc(C#N)ccn1 ZINC001232479763 818363863 /nfs/dbraw/zinc/36/38/63/818363863.db2.gz XALYKIKDGLIFOS-CYBMUJFWSA-N 1 1 281.359 3.155 20 30 CGEDMO COc1ccccc1[C@@H](C)[N@@H+](C)Cc1cc(C#N)ccn1 ZINC001232479763 818363873 /nfs/dbraw/zinc/36/38/73/818363873.db2.gz XALYKIKDGLIFOS-CYBMUJFWSA-N 1 1 281.359 3.155 20 30 CGEDMO CCc1ccc(C[N@@H+](C)Cc2cc(C#N)ccc2[O-])cc1 ZINC001232678609 818416833 /nfs/dbraw/zinc/41/68/33/818416833.db2.gz JQVWKOBEOSYPJP-UHFFFAOYSA-N 1 1 280.371 3.458 20 30 CGEDMO COCC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)s1 ZINC001232843981 818455193 /nfs/dbraw/zinc/45/51/93/818455193.db2.gz JXCKOOSERSWYCT-LBPRGKRZSA-N 1 1 264.394 3.011 20 30 CGEDMO C[N@H+](Cc1ccc(Br)c(C#N)c1)CC1CC1 ZINC001232892294 818466579 /nfs/dbraw/zinc/46/65/79/818466579.db2.gz GQRRWLRPMOQEBC-UHFFFAOYSA-N 1 1 279.181 3.163 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(OC(F)F)nc1 ZINC001232954238 818483129 /nfs/dbraw/zinc/48/31/29/818483129.db2.gz AXIYPDVUHVEVCK-UHFFFAOYSA-N 1 1 256.296 3.081 20 30 CGEDMO Cc1ccc(C[N@H+](C)Cc2ccccc2)c(C#N)c1 ZINC001232962551 818484319 /nfs/dbraw/zinc/48/43/19/818484319.db2.gz OOWAYQCELCLIGH-UHFFFAOYSA-N 1 1 250.345 3.499 20 30 CGEDMO Cc1ccc(C[N@@H+](C)Cc2ccccc2)c(C#N)c1 ZINC001232962551 818484322 /nfs/dbraw/zinc/48/43/22/818484322.db2.gz OOWAYQCELCLIGH-UHFFFAOYSA-N 1 1 250.345 3.499 20 30 CGEDMO Cc1ccc(C[N@@H+](C)CC2CC(F)(F)C2)c(C#N)c1 ZINC001232967360 818486001 /nfs/dbraw/zinc/48/60/01/818486001.db2.gz JVFMNMWTMBKQFK-UHFFFAOYSA-N 1 1 264.319 3.344 20 30 CGEDMO CO[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(C)cc3C#N)C[C@@H]21 ZINC001232966092 818486089 /nfs/dbraw/zinc/48/60/89/818486089.db2.gz LOERXMZMDZVCCY-BPQIPLTHSA-N 1 1 284.403 3.114 20 30 CGEDMO CCC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1O ZINC001233386144 818607582 /nfs/dbraw/zinc/60/75/82/818607582.db2.gz HQCFFSQUFVRUGD-HNNXBMFYSA-N 1 1 258.365 3.418 20 30 CGEDMO CCC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1O ZINC001233386144 818607584 /nfs/dbraw/zinc/60/75/84/818607584.db2.gz HQCFFSQUFVRUGD-HNNXBMFYSA-N 1 1 258.365 3.418 20 30 CGEDMO N#C[C@@H](Oc1ccc2[nH+]ccn2c1)c1cccc(F)c1 ZINC001233756327 818698751 /nfs/dbraw/zinc/69/87/51/818698751.db2.gz ZCVPKGLZXJIMAD-CQSZACIVSA-N 1 1 267.263 3.117 20 30 CGEDMO CC[NH+]1CC(Oc2ccc(-c3cccc(C#N)c3)cc2)C1 ZINC001233867777 818720481 /nfs/dbraw/zinc/72/04/81/818720481.db2.gz YKAICICOCWAPRD-UHFFFAOYSA-N 1 1 278.355 3.308 20 30 CGEDMO CC(C)(C)[NH+]1CC(Oc2ccc(Cl)c(C#N)c2)C1 ZINC001233921953 818731879 /nfs/dbraw/zinc/73/18/79/818731879.db2.gz VZIGSCBASRKACN-UHFFFAOYSA-N 1 1 264.756 3.073 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]c(=O)c2ccccc12 ZINC001234007966 818754408 /nfs/dbraw/zinc/75/44/08/818754408.db2.gz NSDBFABWMYTOQN-XMQYKBBCSA-N 1 1 293.370 3.207 20 30 CGEDMO C[N@H+]1CC[C@@H](Oc2ccccc2C=NNc2ccccc2)C1 ZINC001234078967 818773797 /nfs/dbraw/zinc/77/37/97/818773797.db2.gz FSEJPWKKEUHBFQ-QGZVFWFLSA-N 1 1 295.386 3.216 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC1(C)CCCC1 ZINC001234089934 818775658 /nfs/dbraw/zinc/77/56/58/818775658.db2.gz WKNMXLSGCHACED-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(C)CC1 ZINC001234455458 818858909 /nfs/dbraw/zinc/85/89/09/818858909.db2.gz MDESSVAYQLFJLQ-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC(CC=C)C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCC1 ZINC001234508821 818870517 /nfs/dbraw/zinc/87/05/17/818870517.db2.gz CODMLNLIRVOVNU-KRWDZBQOSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCC(CC=C)C(=O)N(C)C[C@H]1CC[N@H+]1CCC(=C)C ZINC001234518899 818872178 /nfs/dbraw/zinc/87/21/78/818872178.db2.gz YDSUMLFWKVDPAE-QGZVFWFLSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC(C)(C)CC ZINC001234536629 818876778 /nfs/dbraw/zinc/87/67/78/818876778.db2.gz FZLAKFXPQCULIB-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO CC(C)c1c(C#N)cccc1O[C@H]1CCc2[nH+]ccn2C1 ZINC001234857060 818936107 /nfs/dbraw/zinc/93/61/07/818936107.db2.gz PXSOWYSCTOHOJI-AWEZNQCLSA-N 1 1 281.359 3.272 20 30 CGEDMO N#CCC1C[NH+](Cc2c[nH]c(-c3ccccc3F)c2)C1 ZINC001235036445 818986297 /nfs/dbraw/zinc/98/62/97/818986297.db2.gz RPBCTCSGAAWLCN-UHFFFAOYSA-N 1 1 269.323 3.166 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](Cc2cccc(N3CCCC3)c2)C1 ZINC001235098404 819001229 /nfs/dbraw/zinc/00/12/29/819001229.db2.gz JZAVVKDVXZFORH-QGZVFWFLSA-N 1 1 269.392 3.022 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](Cc2cccc(N3CCCC3)c2)C1 ZINC001235098404 819001231 /nfs/dbraw/zinc/00/12/31/819001231.db2.gz JZAVVKDVXZFORH-QGZVFWFLSA-N 1 1 269.392 3.022 20 30 CGEDMO CCc1cc(C#N)ccc1CN1CCCCC12CC[NH2+]CC2 ZINC001235189989 819029932 /nfs/dbraw/zinc/02/99/32/819029932.db2.gz BUWDKIXXSGIKRR-UHFFFAOYSA-N 1 1 297.446 3.229 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cc3cccc(F)c3[nH]2)C1 ZINC001235245418 819046281 /nfs/dbraw/zinc/04/62/81/819046281.db2.gz HHQPEVCHISMSOH-GFCCVEGCSA-N 1 1 271.339 3.433 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2cc3cccc(F)c3[nH]2)C1 ZINC001235245418 819046286 /nfs/dbraw/zinc/04/62/86/819046286.db2.gz HHQPEVCHISMSOH-GFCCVEGCSA-N 1 1 271.339 3.433 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCNC(=O)C[C@H](C)CCC ZINC001235352253 819076920 /nfs/dbraw/zinc/07/69/20/819076920.db2.gz RYLGLCCTXLKGHA-OAHLLOKOSA-N 1 1 268.445 3.217 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCNC(=O)C[C@@H](C)CCC ZINC001235352251 819077253 /nfs/dbraw/zinc/07/72/53/819077253.db2.gz RYLGLCCTXLKGHA-HNNXBMFYSA-N 1 1 268.445 3.217 20 30 CGEDMO N#CCc1ccccc1C[N@@H+]1CCC[C@H](C(F)F)C1 ZINC001235522655 819113960 /nfs/dbraw/zinc/11/39/60/819113960.db2.gz HYHSJVUFDZVONE-AWEZNQCLSA-N 1 1 264.319 3.230 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2c[nH]c3cnc(Cl)cc23)C1 ZINC001235520416 819115117 /nfs/dbraw/zinc/11/51/17/819115117.db2.gz KQDZRUHBBZDZSQ-LLVKDONJSA-N 1 1 273.767 3.062 20 30 CGEDMO N#CCc1ccccc1C[NH+]1CC2(C1)CC(F)(F)CS2 ZINC001235530247 819115936 /nfs/dbraw/zinc/11/59/36/819115936.db2.gz TZBSAOXZGUEWJP-UHFFFAOYSA-N 1 1 294.370 3.079 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCN[C@H](c2ccccc2)C1 ZINC001235858460 819188706 /nfs/dbraw/zinc/18/87/06/819188706.db2.gz XYHWJWCIYJYDKO-IBGZPJMESA-N 1 1 291.398 3.013 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCN[C@H](c2ccccc2)C1 ZINC001235858460 819188711 /nfs/dbraw/zinc/18/87/11/819188711.db2.gz XYHWJWCIYJYDKO-IBGZPJMESA-N 1 1 291.398 3.013 20 30 CGEDMO C=CCCCCCCCC[N@H+]1CC[C@](F)(CN)C1 ZINC001236434565 819477935 /nfs/dbraw/zinc/47/79/35/819477935.db2.gz NFFJMFNMMURASN-HNNXBMFYSA-N 1 1 256.409 3.276 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CC[C@](F)(CN)C1 ZINC001236434565 819477936 /nfs/dbraw/zinc/47/79/36/819477936.db2.gz NFFJMFNMMURASN-HNNXBMFYSA-N 1 1 256.409 3.276 20 30 CGEDMO CCc1cc(C#N)ccc1CN(C[C@@H]1CCC[NH2+]C1)C1CC1 ZINC001236605335 819549791 /nfs/dbraw/zinc/54/97/91/819549791.db2.gz MEFYDONOPMFRRT-MRXNPFEDSA-N 1 1 297.446 3.085 20 30 CGEDMO Cc1cc(Cl)cc(C[NH+]2CCC(CC#N)CC2)n1 ZINC001236639179 819558227 /nfs/dbraw/zinc/55/82/27/819558227.db2.gz MNPUWABHRCIJGO-UHFFFAOYSA-N 1 1 263.772 3.169 20 30 CGEDMO CCc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)c(O)c1 ZINC001236786183 819594541 /nfs/dbraw/zinc/59/45/41/819594541.db2.gz DHIWZRUJRKJBPR-UHFFFAOYSA-N 1 1 280.371 3.458 20 30 CGEDMO C=CC[N@H+](C)Cc1cc(F)c(F)c(Br)c1 ZINC001236858399 819624220 /nfs/dbraw/zinc/62/42/20/819624220.db2.gz GPBGFYYNUFRGJU-UHFFFAOYSA-N 1 1 276.124 3.345 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]3C[C@@H]32)cc1Br ZINC001236865796 819626417 /nfs/dbraw/zinc/62/64/17/819626417.db2.gz GTZKTUVGXRPRGU-RISCZKNCSA-N 1 1 291.192 3.305 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]3C[C@@H]32)cc1Br ZINC001236865796 819626421 /nfs/dbraw/zinc/62/64/21/819626421.db2.gz GTZKTUVGXRPRGU-RISCZKNCSA-N 1 1 291.192 3.305 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(F)c(N2CCOCC2)c1 ZINC001236960377 819639844 /nfs/dbraw/zinc/63/98/44/819639844.db2.gz JBOJWCRESJNIJF-UHFFFAOYSA-N 1 1 292.398 3.060 20 30 CGEDMO Cn1cc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c2cc(C#N)ccc21 ZINC001237465731 819757652 /nfs/dbraw/zinc/75/76/52/819757652.db2.gz KDUYBHMNYXVMDJ-GASCZTMLSA-N 1 1 279.387 3.282 20 30 CGEDMO Cn1cc(C[N@@H+](C)C2CC(F)(F)C2)c2cc(C#N)ccc21 ZINC001237467011 819758166 /nfs/dbraw/zinc/75/81/66/819758166.db2.gz QKSUOYGCZWFHHB-UHFFFAOYSA-N 1 1 289.329 3.279 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@H](CF)C2)c2cc(C#N)ccc21 ZINC001237471680 819758839 /nfs/dbraw/zinc/75/88/39/819758839.db2.gz XFBILEYHHDAOLC-CQSZACIVSA-N 1 1 285.366 3.231 20 30 CGEDMO CC(C)O[C@@H]1CC[N@@H+](Cc2cn(C)c3ccc(C#N)cc23)C1 ZINC001237471817 819759511 /nfs/dbraw/zinc/75/95/11/819759511.db2.gz IRAATLHYFMALAF-MRXNPFEDSA-N 1 1 297.402 3.049 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)c(F)cc1F ZINC001237527978 819772648 /nfs/dbraw/zinc/77/26/48/819772648.db2.gz NIBKNHMGWVFNGG-RYUDHWBXSA-N 1 1 276.330 3.458 20 30 CGEDMO Cc1ccnc2cccc(C[N@H+]3CC[C@](C)(C#N)C3)c12 ZINC001237637398 819794720 /nfs/dbraw/zinc/79/47/20/819794720.db2.gz TYCTXOGOSNAJCE-QGZVFWFLSA-N 1 1 265.360 3.279 20 30 CGEDMO CCCO[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001237755149 819838426 /nfs/dbraw/zinc/83/84/26/819838426.db2.gz MIDAWTIPDLPVED-OAHLLOKOSA-N 1 1 278.783 3.213 20 30 CGEDMO CCCO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001237755149 819838435 /nfs/dbraw/zinc/83/84/35/819838435.db2.gz MIDAWTIPDLPVED-OAHLLOKOSA-N 1 1 278.783 3.213 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccccc1C(=O)OCC ZINC001237892679 819873301 /nfs/dbraw/zinc/87/33/01/819873301.db2.gz QURAPTXHAYNUND-UHFFFAOYSA-N 1 1 261.365 3.261 20 30 CGEDMO C[N@@H+](CCc1cccnc1)Cc1ccc(C#N)cc1Cl ZINC001238086192 819928120 /nfs/dbraw/zinc/92/81/20/819928120.db2.gz YAJWNZAHYDCMRH-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO CCCCN(CCC#N)Cc1[nH+]cc(C)c(OC)c1C ZINC001238174583 819947839 /nfs/dbraw/zinc/94/78/39/819947839.db2.gz HBUFNINXPNPIOW-UHFFFAOYSA-N 1 1 275.396 3.223 20 30 CGEDMO C[N@@H+](CCc1ccccn1)Cc1ccc(Cl)c(C#N)c1 ZINC001238196728 819954631 /nfs/dbraw/zinc/95/46/31/819954631.db2.gz PWQIKKXYNVJQPD-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO CCc1cc(C[N@H+]2CC(C)(C)C[C@]2(C)CO)ccc1C#N ZINC001238767676 820113037 /nfs/dbraw/zinc/11/30/37/820113037.db2.gz XWRPSNSIKJPBSN-GOSISDBHSA-N 1 1 286.419 3.104 20 30 CGEDMO CCc1cc(C[N@@H+](C)C[C@@H]2CCCCO2)ccc1C#N ZINC001238778101 820115818 /nfs/dbraw/zinc/11/58/18/820115818.db2.gz KNKJDVFOVJLEHC-KRWDZBQOSA-N 1 1 272.392 3.122 20 30 CGEDMO N#Cc1ncc(-c2ccc(C3=[NH+]CCC3)cc2)cc1F ZINC001238990689 820184357 /nfs/dbraw/zinc/18/43/57/820184357.db2.gz NAGUGCORUBTRRO-UHFFFAOYSA-N 1 1 265.291 3.342 20 30 CGEDMO C=C(C)c1ncnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001240830596 821360347 /nfs/dbraw/zinc/36/03/47/821360347.db2.gz BGSBGWHOIZSVIV-UHFFFAOYSA-N 1 1 265.360 3.068 20 30 CGEDMO C=C(C)c1ncnc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001240830596 821360356 /nfs/dbraw/zinc/36/03/56/821360356.db2.gz BGSBGWHOIZSVIV-UHFFFAOYSA-N 1 1 265.360 3.068 20 30 CGEDMO CCc1cc(C2=CC[N@@H+](C)CC2)cc(CC)c1C#N ZINC001241330659 821737956 /nfs/dbraw/zinc/73/79/56/821737956.db2.gz XDLQGFDOXRBUDP-UHFFFAOYSA-N 1 1 254.377 3.402 20 30 CGEDMO N#CCc1cccc(C2=CC[N@@H+](Cc3ccccc3)CC2)n1 ZINC001241501924 821904038 /nfs/dbraw/zinc/90/40/38/821904038.db2.gz GUWIMJCNGQXNEJ-UHFFFAOYSA-N 1 1 289.382 3.437 20 30 CGEDMO N#Cc1cnccc1C1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001241503779 821905918 /nfs/dbraw/zinc/90/59/18/821905918.db2.gz CBVGDUQRSZPPGG-UHFFFAOYSA-N 1 1 275.355 3.243 20 30 CGEDMO N#Cc1cc(F)cc(-c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC001241657626 822034304 /nfs/dbraw/zinc/03/43/04/822034304.db2.gz ZDFQNVNJPVFNHN-UHFFFAOYSA-N 1 1 296.345 3.197 20 30 CGEDMO Cc1cc(N)[nH+]cc1-c1ccc(C#C[Si](C)(C)C)cn1 ZINC001242071016 822329740 /nfs/dbraw/zinc/32/97/40/822329740.db2.gz RAVUOMKPSBSWRC-UHFFFAOYSA-N 1 1 281.435 3.263 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC001341044253 936425301 /nfs/dbraw/zinc/42/53/01/936425301.db2.gz KYMUYYITLDVSEG-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCC23CCOCC3)CCC1 ZINC001341377824 936436039 /nfs/dbraw/zinc/43/60/39/936436039.db2.gz WWNYBOMJWKUNQD-UHFFFAOYSA-N 1 1 262.397 3.105 20 30 CGEDMO C=C/C(C)=C\CC(=O)N(C)C[C@@H]1CC[N@H+]1CCC(=C)C ZINC001479237567 936460000 /nfs/dbraw/zinc/46/00/00/936460000.db2.gz TYJRBVZQFFLFMF-UJPCXNRSSA-N 1 1 276.424 3.008 20 30 CGEDMO C=C(C)CC[C@H](C)OC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001343836449 936514732 /nfs/dbraw/zinc/51/47/32/936514732.db2.gz HWHWUQRMQSZTFS-ZDUSSCGKSA-N 1 1 285.347 3.169 20 30 CGEDMO CCC(CC)C[N@@H+](CC)CCCNC(=O)C#CC(C)(C)C ZINC001479843815 936812045 /nfs/dbraw/zinc/81/20/45/936812045.db2.gz NSTPUADWQROEMN-UHFFFAOYSA-N 1 1 294.483 3.300 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cccc(OC3CC3)c2F)C1 ZINC001350615067 936996114 /nfs/dbraw/zinc/99/61/14/936996114.db2.gz HXBROBRLXXIBDP-HNNXBMFYSA-N 1 1 291.366 3.144 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCNC(=O)c1csc(Cl)c1 ZINC001480921015 926795163 /nfs/dbraw/zinc/79/51/63/926795163.db2.gz FHVAXQZXZIIROF-UHFFFAOYSA-N 1 1 286.828 3.029 20 30 CGEDMO N#Cc1ccc(CCNc2[nH+]ccc3cc[nH]c32)cc1 ZINC001167678931 926829224 /nfs/dbraw/zinc/82/92/24/926829224.db2.gz BYZMBSUXLRDOBF-UHFFFAOYSA-N 1 1 262.316 3.089 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)c1cc(Cl)c[nH]1 ZINC001480961322 926845397 /nfs/dbraw/zinc/84/53/97/926845397.db2.gz PQTVKCXHLQDPTG-LBPRGKRZSA-N 1 1 297.830 3.075 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001481084459 926882620 /nfs/dbraw/zinc/88/26/20/926882620.db2.gz WKPIHLCOMQBWMW-JKSUJKDBSA-N 1 1 286.419 3.152 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](CNC(=O)C2(C)CC2)C1 ZINC001481094570 926883196 /nfs/dbraw/zinc/88/31/96/926883196.db2.gz XSNHPZGXXGRATF-OAHLLOKOSA-N 1 1 280.456 3.195 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)C2(CC)CCCC2)C1 ZINC001481117493 926889599 /nfs/dbraw/zinc/88/95/99/926889599.db2.gz VFBGDADRPGOWQV-CQSZACIVSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)C2(CC)CCCC2)C1 ZINC001481117493 926889611 /nfs/dbraw/zinc/88/96/11/926889611.db2.gz VFBGDADRPGOWQV-CQSZACIVSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001481119341 926890644 /nfs/dbraw/zinc/89/06/44/926890644.db2.gz UFAPYODWQAMQMQ-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCC[N@H+](CCNC(=O)[C@]1(C)CCC[C@@H]1C)C1CC1 ZINC001481184982 926901917 /nfs/dbraw/zinc/90/19/17/926901917.db2.gz RFWAMJSHUCBNEL-MAUKXSAKSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)CSC(C)C)C1 ZINC001481390643 926976310 /nfs/dbraw/zinc/97/63/10/926976310.db2.gz OEUPNMJJBDBMDR-OAHLLOKOSA-N 1 1 298.496 3.017 20 30 CGEDMO C=C(C)CCC(=O)N(CCC)[C@@H]1CC[N@@H+](CC(=C)C)C1 ZINC001481399409 926978415 /nfs/dbraw/zinc/97/84/15/926978415.db2.gz JLPQBAYMRBJBRY-MRXNPFEDSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CCNC(=O)CC2CCCCC2)C1 ZINC001481418279 926982353 /nfs/dbraw/zinc/98/23/53/926982353.db2.gz ZYZILRUPMKJRMB-KRWDZBQOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCC[C@H]1CC[N@@H+](C/C=C/Cl)C1 ZINC001481446541 926985482 /nfs/dbraw/zinc/98/54/82/926985482.db2.gz IBXQIWIFBBTXOD-BILQUBDUSA-N 1 1 298.858 3.169 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)C=C(CC)CC)C1 ZINC001481481741 926998675 /nfs/dbraw/zinc/99/86/75/926998675.db2.gz LONXNBLXEAPQMM-MRXNPFEDSA-N 1 1 278.440 3.089 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)C(C)=C2CCC2)C1 ZINC001481485217 927001671 /nfs/dbraw/zinc/00/16/71/927001671.db2.gz FQRWRHGZHJAYAA-CQSZACIVSA-N 1 1 296.842 3.020 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@H](CC)C(C)C)C1 ZINC001481505922 927007050 /nfs/dbraw/zinc/00/70/50/927007050.db2.gz XKVUQXYFKWDZNQ-HOTGVXAUSA-N 1 1 280.456 3.025 20 30 CGEDMO C#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC)CCCCC)C1 ZINC001481508704 927008188 /nfs/dbraw/zinc/00/81/88/927008188.db2.gz LIFDHXBPTNVZLO-IRXDYDNUSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CC(C)(C)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC/C=C\CC ZINC001481671433 927051089 /nfs/dbraw/zinc/05/10/89/927051089.db2.gz QBJRYCZJBMLMSE-FLELRFNZSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001481692855 927059829 /nfs/dbraw/zinc/05/98/29/927059829.db2.gz ZXKQIZFMCSPOKG-WMZOPIPTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[N@H+](CC=C(C)C)C2)CCCC1 ZINC001481710577 927071691 /nfs/dbraw/zinc/07/16/91/927071691.db2.gz IYFJCLLLBJDQNP-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)/C=C/c1ccco1 ZINC001482576182 927300566 /nfs/dbraw/zinc/30/05/66/927300566.db2.gz OXNPYPBGPPMRBF-NKSUMMKUSA-N 1 1 290.407 3.038 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)/C=C\c1ccco1 ZINC001482576183 927300731 /nfs/dbraw/zinc/30/07/31/927300731.db2.gz OXNPYPBGPPMRBF-WOLCWHLNSA-N 1 1 290.407 3.038 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCC(=C)C)CC[C@H]21 ZINC001482659991 927341287 /nfs/dbraw/zinc/34/12/87/927341287.db2.gz UZTVFOOSISTSSP-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CC(=C)Cl)C1 ZINC001482664671 927342056 /nfs/dbraw/zinc/34/20/56/927342056.db2.gz VYTVUHJKSKHACE-GJZGRUSLSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2CN(C(=O)CC(CC)CC)CC[C@H]21 ZINC001482668160 927346844 /nfs/dbraw/zinc/34/68/44/927346844.db2.gz VFJKGGLGUUFYNM-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)c1sccc1C ZINC001483303823 927476699 /nfs/dbraw/zinc/47/66/99/927476699.db2.gz GLGFVXHASZTXOQ-KGLIPLIRSA-N 1 1 294.464 3.461 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)CC1CCCC1 ZINC001483306890 927477037 /nfs/dbraw/zinc/47/70/37/927477037.db2.gz KADQJGGBNYUAOG-HUUCEWRRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)c1cccc(C)c1 ZINC001483392389 927496465 /nfs/dbraw/zinc/49/64/65/927496465.db2.gz WWEIAGHSAHVPMW-HZPDHXFCSA-N 1 1 288.435 3.111 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CC[N@@H+]1Cc1cc(C)sc1C ZINC001483635502 927554623 /nfs/dbraw/zinc/55/46/23/927554623.db2.gz KLRYUZWMYFXCKS-HNNXBMFYSA-N 1 1 292.448 3.022 20 30 CGEDMO C/C=C(/C)C(=O)NC[C@H]1CC[N@@H+]1CCCCCCC ZINC001483641706 927558328 /nfs/dbraw/zinc/55/83/28/927558328.db2.gz PJWQZQOBBZCWTL-NUKWSGDCSA-N 1 1 266.429 3.114 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H]1CC[N@H+]1CC1CCCCCC1 ZINC001483672463 927565636 /nfs/dbraw/zinc/56/56/36/927565636.db2.gz UETQTUFKFYNURS-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO CC#CC[N@H+]1CC[C@H]1CNC(=O)[C@H](CCCCC)C(C)C ZINC001483692172 927576847 /nfs/dbraw/zinc/57/68/47/927576847.db2.gz VUOIMCFOYDLXEG-DLBZAZTESA-N 1 1 292.467 3.053 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](CCCCC)C(C)C ZINC001483692172 927576853 /nfs/dbraw/zinc/57/68/53/927576853.db2.gz VUOIMCFOYDLXEG-DLBZAZTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=C[C@@H](C(=O)NC[C@H]1CC[N@@H+]1CCC(=C)C)c1ccccc1 ZINC001483707841 927581003 /nfs/dbraw/zinc/58/10/03/927581003.db2.gz FXJZIOONPKNVKK-QZTJIDSGSA-N 1 1 298.430 3.113 20 30 CGEDMO C=CCCC(=O)N1CC[C@]2(C1)CCC[N@H+](CCCC)C2 ZINC001483828803 927630735 /nfs/dbraw/zinc/63/07/35/927630735.db2.gz ANDAGJXOUIAJJE-QGZVFWFLSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCCC(=O)N1CC[C@]2(CC[N@H+](CCCCC)C2)C1 ZINC001483844674 927631785 /nfs/dbraw/zinc/63/17/85/927631785.db2.gz ZHTUUFFVCASVBF-KRWDZBQOSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)CCCC[C@@H](C)CC)C1 ZINC001484045307 927667517 /nfs/dbraw/zinc/66/75/17/927667517.db2.gz PUOZJAPMRPSILI-DOTOQJQBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCCC(=O)N[C@]1(C)CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001484059501 927669424 /nfs/dbraw/zinc/66/94/24/927669424.db2.gz SXVDYEYVEJWFCO-GOSISDBHSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCC)C2 ZINC001484316431 927692079 /nfs/dbraw/zinc/69/20/79/927692079.db2.gz NQZAUZIJBKVGLS-XHSDSOJGSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](C)CC ZINC001484457053 927706037 /nfs/dbraw/zinc/70/60/37/927706037.db2.gz RNXZRUKCWILEDR-YESZJQIVSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H](NC(=O)C[C@H]2C=CCC2)CC1 ZINC001484705880 927740571 /nfs/dbraw/zinc/74/05/71/927740571.db2.gz ATBRDTLARQPNAH-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCN(C)C(=O)CC(F)(F)F ZINC001484735212 927747428 /nfs/dbraw/zinc/74/74/28/927747428.db2.gz PQLCMRLCHFFYLE-GFCCVEGCSA-N 1 1 294.361 3.074 20 30 CGEDMO C#Cc1ccc(C(=O)N(C)CCC[N@@H+](C)CCC(=C)C)cc1 ZINC001484753625 927750971 /nfs/dbraw/zinc/75/09/71/927750971.db2.gz ZFKQBKQJFVORTP-UHFFFAOYSA-N 1 1 298.430 3.028 20 30 CGEDMO C#CC[N@H+](C)CCCN(C)C(=O)[C@@H](C)CC1CCCCC1 ZINC001484761971 927751226 /nfs/dbraw/zinc/75/12/26/927751226.db2.gz ZZJVXABYMPZXOR-INIZCTEOSA-N 1 1 292.467 3.006 20 30 CGEDMO C#Cc1ccc(C(=O)N(C)CCC[N@@H+](C)CC=C(C)C)cc1 ZINC001484753369 927753159 /nfs/dbraw/zinc/75/31/59/927753159.db2.gz UMMWJFUZMKIBFE-UHFFFAOYSA-N 1 1 298.430 3.028 20 30 CGEDMO C=C(C)CC[N@@H+]1Cc2ccc(CNC(=O)CCC)cc2C1 ZINC001484873352 927763640 /nfs/dbraw/zinc/76/36/40/927763640.db2.gz YIVHXAWDYLBCNI-UHFFFAOYSA-N 1 1 286.419 3.385 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](CC=C(C)C)CC1(C)C ZINC001484939479 927773827 /nfs/dbraw/zinc/77/38/27/927773827.db2.gz WNTDEWKUBBGDSO-HNNXBMFYSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)/C=C\C(C)(C)C)C[C@@H]1C ZINC001484967922 927776600 /nfs/dbraw/zinc/77/66/00/927776600.db2.gz OFLZNOSFHGLFBF-SKJVMOOOSA-N 1 1 278.440 3.134 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)C(CCC)CCC)C[C@H]1C ZINC001484976755 927778222 /nfs/dbraw/zinc/77/82/22/927778222.db2.gz OJVDTHLZAWGFGV-NVXWUHKLSA-N 1 1 292.467 3.195 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)/C=C(/C)CC)C[C@H]1C ZINC001484972146 927778784 /nfs/dbraw/zinc/77/87/84/927778784.db2.gz KOSVCDNVQGGNMA-PSRIFBLRSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC1CCN(C(=O)/C(C)=C/C)CC1 ZINC001485030271 927790388 /nfs/dbraw/zinc/79/03/88/927790388.db2.gz UXXBMLVQFZSIOU-GIDUJCDVSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CC[N@H+](CC)CC1CCN(C(=O)C[C@H](C)C2CC2)CC1 ZINC001485034026 927791882 /nfs/dbraw/zinc/79/18/82/927791882.db2.gz BTGGIFBTCLJIBO-HNNXBMFYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)CCC1CCCC1 ZINC001485047855 927796896 /nfs/dbraw/zinc/79/68/96/927796896.db2.gz QCUWJAYDIOJFFI-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccc(CC)s1 ZINC001485061711 927802782 /nfs/dbraw/zinc/80/27/82/927802782.db2.gz KAQDDQXDDNYTLV-ZDUSSCGKSA-N 1 1 292.448 3.033 20 30 CGEDMO C=CCCC(=O)NC[C@H](C)[N@@H+](C)[C@H]1CCc2ccccc21 ZINC001485284050 927840523 /nfs/dbraw/zinc/84/05/23/927840523.db2.gz DZGHXERIOWTAJU-YOEHRIQHSA-N 1 1 286.419 3.077 20 30 CGEDMO C=CC[C@@H]1[N@@H+](CCC(=O)OC(C)C)CCCC1(C)C ZINC001473431522 937199288 /nfs/dbraw/zinc/19/92/88/937199288.db2.gz FZHPYQJQNHYKJN-AWEZNQCLSA-N 1 1 267.413 3.395 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC(C)=C(C)C ZINC001485479618 927874573 /nfs/dbraw/zinc/87/45/73/927874573.db2.gz FQGIROGGZOCEPK-MRXNPFEDSA-N 1 1 278.440 3.280 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001473580913 937200460 /nfs/dbraw/zinc/20/04/60/937200460.db2.gz BGOWUBDDDPZHJU-MRXNPFEDSA-N 1 1 271.791 3.427 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)/C(C)=C\C)C[C@@H]2C1 ZINC001485652589 927896297 /nfs/dbraw/zinc/89/62/97/927896297.db2.gz DTWRVGSSPQSYBM-BCUZFTSHSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)CC[N@H+](C)C1CCN(C(=O)C[C@H](C)SC)CC1 ZINC001485756534 927913059 /nfs/dbraw/zinc/91/30/59/927913059.db2.gz OWMHFZDGJXCGIY-AWEZNQCLSA-N 1 1 298.496 3.017 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001474602375 937207475 /nfs/dbraw/zinc/20/74/75/937207475.db2.gz QJMAUUKEHAQDHQ-AWEZNQCLSA-N 1 1 257.377 3.361 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H](C)CCCC)CCC[C@@H]12 ZINC001486152099 927989968 /nfs/dbraw/zinc/98/99/68/927989968.db2.gz NUVYZQBWKWKYFF-ZMSDIMECSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CCC2CCC2)[C@H]1C ZINC001486168898 927994829 /nfs/dbraw/zinc/99/48/29/927994829.db2.gz ATMGWJINAYHSCF-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO N#Cc1ccnc(C[N@@H+](CCC(F)(F)F)CC2CC2)c1 ZINC001559584699 937210420 /nfs/dbraw/zinc/21/04/20/937210420.db2.gz UTJMYLNDSSAFJQ-UHFFFAOYSA-N 1 1 283.297 3.118 20 30 CGEDMO CCCCCCCCC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000144368510 928079109 /nfs/dbraw/zinc/07/91/09/928079109.db2.gz KWBGQDJSQLUOHN-CQSZACIVSA-N 1 1 266.429 3.090 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](CCc1ccccc1)C(C)C ZINC001323894543 928083780 /nfs/dbraw/zinc/08/37/80/928083780.db2.gz FFQOKRYILMEFLH-KRWDZBQOSA-N 1 1 261.409 3.267 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC001171204216 928199710 /nfs/dbraw/zinc/19/97/10/928199710.db2.gz UMQFWZRBQLQURZ-CHWSQXEVSA-N 1 1 278.346 3.466 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@](C)(CF)C1 ZINC001171210024 928201562 /nfs/dbraw/zinc/20/15/62/928201562.db2.gz OYQZEACJGZEYIP-XJKSGUPXSA-N 1 1 260.356 3.171 20 30 CGEDMO C[C@]1(C#N)CCC[N@H+](Cc2cc3ccc(F)cc3[nH]c2=O)C1 ZINC001363909679 937232482 /nfs/dbraw/zinc/23/24/82/937232482.db2.gz NRCLYHAUJWHVEN-QGZVFWFLSA-N 1 1 299.349 3.205 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](Cc2cc3ccc(F)cc3[nH]c2=O)C1 ZINC001363909679 937232484 /nfs/dbraw/zinc/23/24/84/937232484.db2.gz NRCLYHAUJWHVEN-QGZVFWFLSA-N 1 1 299.349 3.205 20 30 CGEDMO C#CC[N@@H+](Cc1cnc2ccc(C)cc2c1)C(C)C ZINC001198027656 928268999 /nfs/dbraw/zinc/26/89/99/928268999.db2.gz RPHDNGZSMFCFSD-UHFFFAOYSA-N 1 1 252.361 3.387 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)/C=C\C(C)(C)C)C1 ZINC001494891338 928277385 /nfs/dbraw/zinc/27/73/85/928277385.db2.gz YQKYIWYIXFSLAR-UILAEWCASA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C1(CF)CCC1 ZINC001488665578 928289421 /nfs/dbraw/zinc/28/94/21/928289421.db2.gz ZKMYBAXPBZQMFD-CABCVRRESA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]([N@H+](C)CCCC(C)C)C1 ZINC001480722558 937235799 /nfs/dbraw/zinc/23/57/99/937235799.db2.gz RMHBUYREKUTHPK-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C)CCC)C1 ZINC001480724043 937236147 /nfs/dbraw/zinc/23/61/47/937236147.db2.gz YFMDNCQNGUUMMS-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@H+](CCCC)[C@@H]2C)CCC1 ZINC001489288552 928325512 /nfs/dbraw/zinc/32/55/12/928325512.db2.gz HWPTYPFNVUSJTM-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C1C(C)(C)C1(C)C ZINC001489322256 928327578 /nfs/dbraw/zinc/32/75/78/928327578.db2.gz NCVOKOFSBNMYLL-AWEZNQCLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@@H+](C)CCCNC(=O)c1cc(C(C)(C)C)oc1C ZINC001490255336 928337510 /nfs/dbraw/zinc/33/75/10/928337510.db2.gz MRKMDHQJXOKAOL-UHFFFAOYSA-N 1 1 292.423 3.123 20 30 CGEDMO C=CCC[N@@H+](C)CCCNC(=O)c1ccc2c(c1)CCC=C2 ZINC001490271813 928340100 /nfs/dbraw/zinc/34/01/00/928340100.db2.gz QGEQCPREPRSOAD-UHFFFAOYSA-N 1 1 298.430 3.274 20 30 CGEDMO C=C(C)C[N@H+](C)CCCNC(=O)[C@H](C)CCC(C)(C)C ZINC001490270273 928340549 /nfs/dbraw/zinc/34/05/49/928340549.db2.gz LBWJCUHIZGPGBJ-OAHLLOKOSA-N 1 1 282.472 3.463 20 30 CGEDMO C=CC[N@H+](C)CCCNC(=O)c1cc(CCC)c(C)s1 ZINC001490275978 928340819 /nfs/dbraw/zinc/34/08/19/928340819.db2.gz MPMCXMPGXGQCNR-UHFFFAOYSA-N 1 1 294.464 3.247 20 30 CGEDMO C=C(C)C[N@H+](C)CCCNC(=O)c1ccoc1C(C)C ZINC001490283818 928341725 /nfs/dbraw/zinc/34/17/25/928341725.db2.gz VNWLGHGMSIPJKR-UHFFFAOYSA-N 1 1 278.396 3.031 20 30 CGEDMO CC#CCCCC(=O)N[C@@H]1CCC[N@@H+](CCCC(C)C)C1 ZINC001490449484 928359722 /nfs/dbraw/zinc/35/97/22/928359722.db2.gz UOILAZAWRGHDHC-QGZVFWFLSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C(CCC)CCC)C1 ZINC001490448934 928360809 /nfs/dbraw/zinc/36/08/09/928360809.db2.gz IGIMUTHTJQIYQR-INIZCTEOSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)CC(CC)CC)C1 ZINC001490773217 928387979 /nfs/dbraw/zinc/38/79/79/928387979.db2.gz CQAHVGQHKDVFIN-QGZVFWFLSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)c1c(F)cccc1Cl ZINC001492827660 937242043 /nfs/dbraw/zinc/24/20/43/937242043.db2.gz UMHGRZGKJLITMC-UHFFFAOYSA-N 1 1 298.789 3.107 20 30 CGEDMO C#Cc1ccc(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c(Cl)c1 ZINC000885673347 928440990 /nfs/dbraw/zinc/44/09/90/928440990.db2.gz JBNXQDWCVSTQOX-VXGBXAGGSA-N 1 1 290.794 3.133 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC1CC1 ZINC001320135330 928488816 /nfs/dbraw/zinc/48/88/16/928488816.db2.gz MSBVKOLNINCSRM-UHFFFAOYSA-N 1 1 278.739 3.093 20 30 CGEDMO C#CC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC1CC1 ZINC001320135330 928488823 /nfs/dbraw/zinc/48/88/23/928488823.db2.gz MSBVKOLNINCSRM-UHFFFAOYSA-N 1 1 278.739 3.093 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@@]1(C)C(C)C ZINC001320067802 928489010 /nfs/dbraw/zinc/48/90/10/928489010.db2.gz VSFJVAKURFOAOD-RDJZCZTQSA-N 1 1 280.456 3.025 20 30 CGEDMO C[N@H+]1CCc2ccc(NC3=CC[C@H](C#N)CC3)cc2C1 ZINC001212866645 928658803 /nfs/dbraw/zinc/65/88/03/928658803.db2.gz CWCGHWBZTWILHZ-ZDUSSCGKSA-N 1 1 267.376 3.294 20 30 CGEDMO C#C[C@@H]1CCCC[N@@H+]1Cc1ccccc1OC(C)C ZINC001460917596 928748892 /nfs/dbraw/zinc/74/88/92/928748892.db2.gz TWPUZOUSJHGTKK-MRXNPFEDSA-N 1 1 257.377 3.462 20 30 CGEDMO C=C(C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=C)Cl ZINC001490969983 928821382 /nfs/dbraw/zinc/82/13/82/928821382.db2.gz TYZIWNJOEZICAZ-GOOCMWNKSA-N 1 1 296.842 3.207 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)/C=C(\C)C2CC2)C1 ZINC001491092832 928829751 /nfs/dbraw/zinc/82/97/51/928829751.db2.gz JGCPYUYUJYUYRS-SFKKXYGYSA-N 1 1 290.451 3.137 20 30 CGEDMO CC#CCCCC(=O)NC[C@@H]1CCCC[N@@H+]1CCCCC ZINC001491222213 928843168 /nfs/dbraw/zinc/84/31/68/928843168.db2.gz JJWFVCPAFPHRCZ-KRWDZBQOSA-N 1 1 292.467 3.341 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@H]1CCCC[N@H+]1CCC1CC1 ZINC001491224416 928844843 /nfs/dbraw/zinc/84/48/43/928844843.db2.gz IHILTAHYTNYTSW-AEFFLSMTSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC1(CC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CCCCC1 ZINC001445778255 937359049 /nfs/dbraw/zinc/35/90/49/937359049.db2.gz CGIUGOZKBVGDTH-GOEBONIOSA-N 1 1 290.451 3.112 20 30 CGEDMO CCCCCCCC(=O)NCC[N@H+]1CCCC1(C)C ZINC001451306878 937389662 /nfs/dbraw/zinc/38/96/62/937389662.db2.gz CJZRZXDLBQDQQF-UHFFFAOYSA-N 1 1 268.445 3.338 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[N@@H+](C2CCCC2)[C@H](C)C1 ZINC001455690545 937420207 /nfs/dbraw/zinc/42/02/07/937420207.db2.gz RVAWBMNCMGICMQ-OAHLLOKOSA-N 1 1 290.451 3.230 20 30 CGEDMO COc1ccc(C[C@H](C)[N@@H+](C)Cc2cc(C#N)ccn2)cc1 ZINC001459412336 937487326 /nfs/dbraw/zinc/48/73/26/937487326.db2.gz CXANXWVYAGVILO-AWEZNQCLSA-N 1 1 295.386 3.025 20 30 CGEDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cc(C#N)ccn1 ZINC001459522897 937490465 /nfs/dbraw/zinc/49/04/65/937490465.db2.gz RIRICLJDPSZZAH-IVMMDQJWSA-N 1 1 255.365 3.106 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC001460271008 937524079 /nfs/dbraw/zinc/52/40/79/937524079.db2.gz RJBCYIWLKJYRLM-ZIAGYGMSSA-N 1 1 267.413 3.395 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](CCN2CCCc3ccccc32)C1 ZINC001460522066 937533708 /nfs/dbraw/zinc/53/37/08/937533708.db2.gz LUEPLRMJDHRUDZ-INIZCTEOSA-N 1 1 270.420 3.337 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)c(F)c1 ZINC001140136402 931957088 /nfs/dbraw/zinc/95/70/88/931957088.db2.gz YWXPUSIGYDZCKM-UONOGXRCSA-N 1 1 258.340 3.319 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CC[C@@H](Cc2nc(C)cs2)C1 ZINC001460825524 937547031 /nfs/dbraw/zinc/54/70/31/937547031.db2.gz BNWTUSCEDLQKQQ-KGLIPLIRSA-N 1 1 262.422 3.118 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC=CCCC1 ZINC001329473653 932002715 /nfs/dbraw/zinc/00/27/15/932002715.db2.gz BEMSLMVTIXGXIU-JKSUJKDBSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)C(C)(C)CCC)CC1 ZINC001228935007 932054790 /nfs/dbraw/zinc/05/47/90/932054790.db2.gz JKRSDOYZQOKPLO-UHFFFAOYSA-N 1 1 286.847 3.146 20 30 CGEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cccc(C#N)c1Cl)C2 ZINC001229068286 932085724 /nfs/dbraw/zinc/08/57/24/932085724.db2.gz WZBQNRLEHPYHIE-CLLJXQQHSA-N 1 1 276.767 3.216 20 30 CGEDMO C=CCOc1ccccc1O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001229614838 932179234 /nfs/dbraw/zinc/17/92/34/932179234.db2.gz YDOSEGXJKLLLBU-FICVDOATSA-N 1 1 273.376 3.255 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)c1cccs1 ZINC001230646520 932603200 /nfs/dbraw/zinc/60/32/00/932603200.db2.gz QGKOXLZPHTYPMY-KGLIPLIRSA-N 1 1 292.448 3.249 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cnn(-c2ccccc2C)c1 ZINC001462008616 937612676 /nfs/dbraw/zinc/61/26/76/937612676.db2.gz SEICDEMULXXINR-UHFFFAOYSA-N 1 1 267.376 3.355 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCC1CCCC1 ZINC001230670637 932607039 /nfs/dbraw/zinc/60/70/39/932607039.db2.gz CTZJLTYVCAFFKJ-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC(C)(C)C(=O)N(C)C[C@H]1CC[N@@H+]1CC/C=C/CCC ZINC001316602127 932745115 /nfs/dbraw/zinc/74/51/15/932745115.db2.gz SNEBHQFWSYWWEC-ZNFPLGDCSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCC1CCCCCC1 ZINC001316601472 932745627 /nfs/dbraw/zinc/74/56/27/932745627.db2.gz OOJJKEWSRFOGLM-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H](CC)C(C)(C)C ZINC001316606466 932746786 /nfs/dbraw/zinc/74/67/86/932746786.db2.gz OIXHOGGJSAQCLG-CVEARBPZSA-N 1 1 292.467 3.005 20 30 CGEDMO N#CC1(C[N@H+]2CCCSC[C@@H]2c2ccccc2)CC1 ZINC001333490058 932758342 /nfs/dbraw/zinc/75/83/42/932758342.db2.gz INUAMYSQTUPLAS-OAHLLOKOSA-N 1 1 272.417 3.470 20 30 CGEDMO COc1ccc(SCC[N@H+](C)CC(C)(C)C#N)cc1 ZINC001462268018 937628354 /nfs/dbraw/zinc/62/83/54/937628354.db2.gz NWYRBCGGGLAPNT-UHFFFAOYSA-N 1 1 278.421 3.269 20 30 CGEDMO COc1ccc(SCC[N@@H+](C)CC(C)(C)C#N)cc1 ZINC001462268018 937628357 /nfs/dbraw/zinc/62/83/57/937628357.db2.gz NWYRBCGGGLAPNT-UHFFFAOYSA-N 1 1 278.421 3.269 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)C(CC)CC)C1 ZINC001491910302 932796667 /nfs/dbraw/zinc/79/66/67/932796667.db2.gz PSTYRTPRYNPKCV-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)CCCCC(C)(C)C)C1 ZINC001491930568 932797725 /nfs/dbraw/zinc/79/77/25/932797725.db2.gz ZSXRIMVVIXYHJY-INIZCTEOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](C/C=C/Cl)[C@@H]1CC ZINC001316735261 932858178 /nfs/dbraw/zinc/85/81/78/932858178.db2.gz DLLAYTMJDMFZLS-LUIPGBGBSA-N 1 1 298.858 3.310 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cc3ccc(F)cc3[nH]c2=O)C1 ZINC001462365810 937635579 /nfs/dbraw/zinc/63/55/79/937635579.db2.gz FZAMKBGEWCGFIL-ZDUSSCGKSA-N 1 1 298.361 3.315 20 30 CGEDMO C=CCC1(C(=O)N2CCC[C@@H]([N@H+](C)CC)C2)CCCC1 ZINC001317386109 932862109 /nfs/dbraw/zinc/86/21/09/932862109.db2.gz XAUXWHDEERNARQ-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO CC[N@H+](C[C@H](C)C#N)C[C@H]1CC2(CO1)CCCCC2 ZINC001307438499 932953042 /nfs/dbraw/zinc/95/30/42/932953042.db2.gz KQMFFGXRIJSVJX-HUUCEWRRSA-N 1 1 264.413 3.207 20 30 CGEDMO CC[N@@H+](C[C@H](C)C#N)C[C@H]1CC2(CO1)CCCCC2 ZINC001307438499 932953046 /nfs/dbraw/zinc/95/30/46/932953046.db2.gz KQMFFGXRIJSVJX-HUUCEWRRSA-N 1 1 264.413 3.207 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@H](NC(=O)c2ccccc2)C1 ZINC001307489103 932960474 /nfs/dbraw/zinc/96/04/74/932960474.db2.gz HFBVCJZFIJQZNI-KRWDZBQOSA-N 1 1 286.419 3.237 20 30 CGEDMO C#CC[N@H+](Cc1ccc(Cl)c(OC)c1)CC1CC1 ZINC001307588469 932972603 /nfs/dbraw/zinc/97/26/03/932972603.db2.gz KGDDWVCALLUQMM-UHFFFAOYSA-N 1 1 263.768 3.194 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001307597077 932975015 /nfs/dbraw/zinc/97/50/15/932975015.db2.gz LTEVNTSFQRPYCN-NEPJUHHUSA-N 1 1 256.340 3.293 20 30 CGEDMO CC#CC[N@@H+](Cc1cnn(Cc2ccccc2)c1)C(C)C ZINC001307608656 932975679 /nfs/dbraw/zinc/97/56/79/932975679.db2.gz MORPSYFQXUQTRA-UHFFFAOYSA-N 1 1 281.403 3.165 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC001307608049 932975825 /nfs/dbraw/zinc/97/58/25/932975825.db2.gz HKEWBYIDDFYMGF-QGZVFWFLSA-N 1 1 272.392 3.032 20 30 CGEDMO C#C[C@H]1COCC[N@@H+]1CCCc1cccc2ccccc21 ZINC001307831373 933006333 /nfs/dbraw/zinc/00/63/33/933006333.db2.gz OKVCDFWCIOREEY-SFHVURJKSA-N 1 1 279.383 3.106 20 30 CGEDMO C#C[C@H]1COCC[N@H+]1CCCc1cccc2ccccc21 ZINC001307831373 933006335 /nfs/dbraw/zinc/00/63/35/933006335.db2.gz OKVCDFWCIOREEY-SFHVURJKSA-N 1 1 279.383 3.106 20 30 CGEDMO COCC#CC[N@H+](Cc1c(C)cccc1C)CC(C)C ZINC001307868893 933012173 /nfs/dbraw/zinc/01/21/73/933012173.db2.gz AJPSUHPBXDXSEZ-UHFFFAOYSA-N 1 1 273.420 3.411 20 30 CGEDMO C=CC[N@H+](CCCN(C)c1ccccc1)[C@H](C)COC ZINC001307924133 933020758 /nfs/dbraw/zinc/02/07/58/933020758.db2.gz NCYPLKLFTGBYAX-MRXNPFEDSA-N 1 1 276.424 3.036 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@](CC)(C(=O)OC(C)(C)C)C1 ZINC001308120658 933052830 /nfs/dbraw/zinc/05/28/30/933052830.db2.gz HFBAPWKTFJUZCD-MRXNPFEDSA-N 1 1 267.413 3.396 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@H]1[C@H]1CCCO1 ZINC001308162508 933062301 /nfs/dbraw/zinc/06/23/01/933062301.db2.gz VPOKPHQUGKYCAG-ZWKOTPCHSA-N 1 1 284.403 3.400 20 30 CGEDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1cc(C#N)ccc1N(C)C ZINC001308620170 933144268 /nfs/dbraw/zinc/14/42/68/933144268.db2.gz RKGJECABSBSMHV-CZUORRHYSA-N 1 1 271.408 3.245 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc2nc(Cl)ccc2s1 ZINC001308724117 933166024 /nfs/dbraw/zinc/16/60/24/933166024.db2.gz MLZBWTNRBJFHCF-SECBINFHSA-N 1 1 264.781 3.403 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)C=C(CC)CC)C1 ZINC001317033209 933467280 /nfs/dbraw/zinc/46/72/80/933467280.db2.gz KSONHWCFMIDCHB-KRWDZBQOSA-N 1 1 292.467 3.479 20 30 CGEDMO C=C(C)CCC(=O)NCCC[N@@H+](C)CC=C(Cl)Cl ZINC001316825358 933484858 /nfs/dbraw/zinc/48/48/58/933484858.db2.gz IOCJIUXZAVKZQW-UHFFFAOYSA-N 1 1 293.238 3.100 20 30 CGEDMO C=C(C)CCC(=O)NCCC[N@H+](C)CC=C(Cl)Cl ZINC001316825358 933484860 /nfs/dbraw/zinc/48/48/60/933484860.db2.gz IOCJIUXZAVKZQW-UHFFFAOYSA-N 1 1 293.238 3.100 20 30 CGEDMO C=CCC[N@@H+](CC)CCCNC(=O)c1cc(C)cs1 ZINC001316887460 933489834 /nfs/dbraw/zinc/48/98/34/933489834.db2.gz AJBFAVGFJUTFSB-UHFFFAOYSA-N 1 1 280.437 3.074 20 30 CGEDMO C=C1CCC(C(=O)NCCC[N@H+](CC(C)C)C2CC2)CC1 ZINC001316921907 933495667 /nfs/dbraw/zinc/49/56/67/933495667.db2.gz GNYGYTAJLYDNKD-UHFFFAOYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)C2(CC)CCC2)CC1 ZINC001316935517 933497574 /nfs/dbraw/zinc/49/75/74/933497574.db2.gz JTFMJDJDTGAWKY-UHFFFAOYSA-N 1 1 298.858 3.242 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001316985429 933504929 /nfs/dbraw/zinc/50/49/29/933504929.db2.gz JVVNGPMUAAIHHN-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001316977275 933506669 /nfs/dbraw/zinc/50/66/69/933506669.db2.gz GULGSUCAMLECQO-HOTGVXAUSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2cc(Cl)cs2)C1 ZINC001316989291 933507902 /nfs/dbraw/zinc/50/79/02/933507902.db2.gz UCLGIYFYRGVJQG-GFCCVEGCSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@H](C[N@H+](C)CC(=C)C)C1 ZINC001317037060 933517952 /nfs/dbraw/zinc/51/79/52/933517952.db2.gz LLUHHLYRIMMFQX-MRXNPFEDSA-N 1 1 292.467 3.335 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC[C@@H](C[N@@H+](C)CC(C)C)C1 ZINC001317038060 933518508 /nfs/dbraw/zinc/51/85/08/933518508.db2.gz FQPGOUUJYGJMKO-IRXDYDNUSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](CNC(=O)C=C(C)C)C1 ZINC001317134041 933536246 /nfs/dbraw/zinc/53/62/46/933536246.db2.gz SIEMFGACBVUCEY-JKSUJKDBSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)C2CCC2)C1 ZINC001317140834 933539222 /nfs/dbraw/zinc/53/92/22/933539222.db2.gz SNJYMPOOSVEWNL-JKSUJKDBSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)C2(CCC)CCC2)C1 ZINC001317139722 933541093 /nfs/dbraw/zinc/54/10/93/933541093.db2.gz QEJNPSOLTRGBDE-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@H+]1CCF ZINC001317209907 933553745 /nfs/dbraw/zinc/55/37/45/933553745.db2.gz VKKADCQJASLKEY-JKSUJKDBSA-N 1 1 296.430 3.158 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2(C)CC(=C)C2)C1 ZINC001317209218 933554513 /nfs/dbraw/zinc/55/45/13/933554513.db2.gz OBISTYOUTWMJCF-CVEARBPZSA-N 1 1 290.451 3.136 20 30 CGEDMO C#CCN(C(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)C1CCCCC1 ZINC001464648700 937694001 /nfs/dbraw/zinc/69/40/01/937694001.db2.gz IQNMYNYDJFOSHJ-OWCLPIDISA-N 1 1 290.451 3.042 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)CCC2(C)CC2)C1 ZINC001317381179 933580851 /nfs/dbraw/zinc/58/08/51/933580851.db2.gz JNJSSEYDYPGQMR-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@@H](C)C2CC2)C1 ZINC001317383537 933582348 /nfs/dbraw/zinc/58/23/48/933582348.db2.gz FKVUHXKPQZBHKC-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)C(C)=C1CCC1 ZINC001317423094 933591008 /nfs/dbraw/zinc/59/10/08/933591008.db2.gz XWNVBQQFNCDGMW-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C(C)=C1CCC1 ZINC001317423092 933591667 /nfs/dbraw/zinc/59/16/67/933591667.db2.gz XWNVBQQFNCDGMW-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)C[N@H+](C)CCNC(=O)c1ccccc1C(C)C ZINC001317448871 933594564 /nfs/dbraw/zinc/59/45/64/933594564.db2.gz SXOYFPYCSBPDAB-UHFFFAOYSA-N 1 1 274.408 3.048 20 30 CGEDMO C=CCC(C)(C)C(=O)NCC[N@H+](C)Cc1ccccc1C ZINC001317462863 933596551 /nfs/dbraw/zinc/59/65/51/933596551.db2.gz KLWLPYLPFKQRIQ-UHFFFAOYSA-N 1 1 288.435 3.145 20 30 CGEDMO C=CCCC[N@H+](CC)CCNC(=O)c1c(C)cccc1F ZINC001317492004 933604652 /nfs/dbraw/zinc/60/46/52/933604652.db2.gz OQWGUFSRDDOHKX-UHFFFAOYSA-N 1 1 292.398 3.152 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)[C@@H]1CCC[C@@H](F)C1)C(C)C ZINC001317685997 933632540 /nfs/dbraw/zinc/63/25/40/933632540.db2.gz GZMJLIKANFZALV-HZPDHXFCSA-N 1 1 298.446 3.308 20 30 CGEDMO CCCCC[N@H+]1CC[C@H](N(CCC)C(=O)C#CC(C)C)C1 ZINC001317757964 933645235 /nfs/dbraw/zinc/64/52/35/933645235.db2.gz BKFPGIUBNSMLKR-KRWDZBQOSA-N 1 1 292.467 3.149 20 30 CGEDMO CC#CCCCC(=O)N(CCC)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001317764427 933646369 /nfs/dbraw/zinc/64/63/69/933646369.db2.gz ZMYBTMIRFDRMOP-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](CCNC(=O)C2=CCCCCC2)C1 ZINC001317783849 933649515 /nfs/dbraw/zinc/64/95/15/933649515.db2.gz KMDDIQLGJMUGSO-MRXNPFEDSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)CC)C1 ZINC001317796528 933652616 /nfs/dbraw/zinc/65/26/16/933652616.db2.gz AEQSHYRTBYJSLA-HNNXBMFYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@@H](C[N@H+](C)CC(=C)C)C2)CCC1 ZINC001317851583 933658968 /nfs/dbraw/zinc/65/89/68/933658968.db2.gz BDETUBAIHIBTMC-INIZCTEOSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@](C)(F)CCCC)C1 ZINC001318260254 933701701 /nfs/dbraw/zinc/70/17/01/933701701.db2.gz AVMSQDKSXYQIMC-GOEBONIOSA-N 1 1 284.419 3.062 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2ccsc2)C1 ZINC001318382297 933716194 /nfs/dbraw/zinc/71/61/94/933716194.db2.gz VMULXIDZQQMKDY-UKRRQHHQSA-N 1 1 292.448 3.249 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)CSC(C)C)C1 ZINC001318458311 933728765 /nfs/dbraw/zinc/72/87/65/933728765.db2.gz KKHZHBKZMPLXHF-HNNXBMFYSA-N 1 1 298.496 3.017 20 30 CGEDMO C=C(CC)C(=O)N(CC)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001466679052 937711444 /nfs/dbraw/zinc/71/14/44/937711444.db2.gz MLCYIHLTFLBCMT-KRWDZBQOSA-N 1 1 286.419 3.076 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C ZINC001467727948 937721530 /nfs/dbraw/zinc/72/15/30/937721530.db2.gz XNONNVDYUGLUGI-HZPDHXFCSA-N 1 1 292.467 3.191 20 30 CGEDMO C=CCC1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CCCC1 ZINC001467990310 937723714 /nfs/dbraw/zinc/72/37/14/937723714.db2.gz FHLAUSSBIISFMY-HZPDHXFCSA-N 1 1 290.451 3.256 20 30 CGEDMO COCC#CC[N@H+]1C[C@H]2CCCC[C@]21c1ccccc1 ZINC001319582456 933894671 /nfs/dbraw/zinc/89/46/71/933894671.db2.gz GTLLSARCFQEAOE-MSOLQXFVSA-N 1 1 269.388 3.038 20 30 CGEDMO C#CC[C@H](NC(=O)Nc1cc(C)[nH+]c(C)c1)c1ccccc1 ZINC001319732443 933923231 /nfs/dbraw/zinc/92/32/31/933923231.db2.gz KPEOXGPSATZBLE-KRWDZBQOSA-N 1 1 293.370 3.006 20 30 CGEDMO C#CC[N@H+](C)CCC1CCN(C(=O)CC(C)(C)CC)CC1 ZINC001319882002 933951160 /nfs/dbraw/zinc/95/11/60/933951160.db2.gz YRVHRAKMFYSXEU-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO C#CC[N@H+](Cc1c(C)nn(-c2ccccc2)c1C)CC1CC1 ZINC001319973765 933968597 /nfs/dbraw/zinc/96/85/97/933968597.db2.gz VPVHGGLJKWOYLA-UHFFFAOYSA-N 1 1 293.414 3.334 20 30 CGEDMO C#CCC[N@H+](C)CCN(C)C(=O)CCC1CCCCCC1 ZINC001320026093 933981258 /nfs/dbraw/zinc/98/12/58/933981258.db2.gz JEHSEYFCBZGIDT-UHFFFAOYSA-N 1 1 292.467 3.151 20 30 CGEDMO C=CC[C@@H](CO)CNc1cc(C)c2ccccc2[nH+]1 ZINC001320041024 933986495 /nfs/dbraw/zinc/98/64/95/933986495.db2.gz HEAKCPQLVGTBLZ-CYBMUJFWSA-N 1 1 256.349 3.140 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@H](C)c1ccc(C)o1 ZINC001320059503 933989633 /nfs/dbraw/zinc/98/96/33/933989633.db2.gz STFLZRDAWSMWFF-OAHLLOKOSA-N 1 1 292.423 3.048 20 30 CGEDMO C=CC[N@H+](C)CCN(C)C(=O)CCCC1CCCCC1 ZINC001320080939 933995291 /nfs/dbraw/zinc/99/52/91/933995291.db2.gz QNXQMIMWANFUEG-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=C(C)[C@@H](CO)[NH2+][C@H](C)c1nc(C(C)(C)C)cs1 ZINC001320089688 933997953 /nfs/dbraw/zinc/99/79/53/933997953.db2.gz WOUXSGGZBMJOON-GHMZBOCLSA-N 1 1 268.426 3.028 20 30 CGEDMO CC(C)(CCC#N)C[N@@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001320509044 934057746 /nfs/dbraw/zinc/05/77/46/934057746.db2.gz KNJVJQUWMRJZHK-UHFFFAOYSA-N 1 1 273.336 3.240 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001320509044 934057753 /nfs/dbraw/zinc/05/77/53/934057753.db2.gz KNJVJQUWMRJZHK-UHFFFAOYSA-N 1 1 273.336 3.240 20 30 CGEDMO C=C[C@@H](COC)[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC001321145954 934156410 /nfs/dbraw/zinc/15/64/10/934156410.db2.gz CMVDMTBXWCCGAJ-VIFPVBQESA-N 1 1 278.154 3.423 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C)CC1CCCCC1 ZINC001323317381 934385457 /nfs/dbraw/zinc/38/54/57/934385457.db2.gz GRSMQNZBCWTBAB-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001471588674 937767119 /nfs/dbraw/zinc/76/71/19/937767119.db2.gz IBVKVUSOTFTBHJ-IRXDYDNUSA-N 1 1 286.419 3.294 20 30 CGEDMO C=CCO[C@H]1CC[N@H+]([C@@H]2CCc3c2cccc3F)C1 ZINC001323729639 934421397 /nfs/dbraw/zinc/42/13/97/934421397.db2.gz PSDVJMMQRKOFQG-BLLLJJGKSA-N 1 1 261.340 3.090 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC)C2 ZINC001323803151 934427666 /nfs/dbraw/zinc/42/76/66/934427666.db2.gz LUDWUJBPZDUARU-SFHVURJKSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@]3(C2)CCC[N@H+](CC)C3)CCC1 ZINC001323813536 934427894 /nfs/dbraw/zinc/42/78/94/934427894.db2.gz RNPODESUXLCUDG-QGZVFWFLSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)C=C(C)C)C2)C1 ZINC001323835848 934431522 /nfs/dbraw/zinc/43/15/22/934431522.db2.gz NTBBUBHLJCVVLO-FUHWJXTLSA-N 1 1 290.451 3.232 20 30 CGEDMO CC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C(C)(C)C ZINC001324438685 934504193 /nfs/dbraw/zinc/50/41/93/934504193.db2.gz RIGAYHKNSWXWAS-UHFFFAOYSA-N 1 1 284.363 3.229 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)CCC2CCCC2)C1 ZINC001324570577 934525854 /nfs/dbraw/zinc/52/58/54/934525854.db2.gz FTUXXIAFQQEGEC-QGZVFWFLSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[C@H]([NH2+]CCC1CCCCC1)C(=O)OCC ZINC001324623890 934533835 /nfs/dbraw/zinc/53/38/35/934533835.db2.gz CPVULWDWXGHYGF-AWEZNQCLSA-N 1 1 253.386 3.054 20 30 CGEDMO CC#CCCCC(=O)N[C@]1(C)CC[N@H+](CC/C=C\CC)C1 ZINC001324640678 934536842 /nfs/dbraw/zinc/53/68/42/934536842.db2.gz FKUNNECFHSLRHQ-YPLUBFQTSA-N 1 1 290.451 3.117 20 30 CGEDMO CC(C)[N@@H+](Cc1cccs1)Cc1cc(C#N)ccn1 ZINC001473122542 937793376 /nfs/dbraw/zinc/79/33/76/937793376.db2.gz GEKAJWUQXKZYEP-UHFFFAOYSA-N 1 1 271.389 3.425 20 30 CGEDMO CC[C@H](C)[N@H+](CC#CCOC)CCc1ccccc1F ZINC001473128475 937793606 /nfs/dbraw/zinc/79/36/06/937793606.db2.gz LBVKYJBJAOXPAL-HNNXBMFYSA-N 1 1 277.383 3.119 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@H+]2C[C@H](C)CC[C@@H]2C)cc1 ZINC001473183547 937796441 /nfs/dbraw/zinc/79/64/41/937796441.db2.gz BSJNGKJIDKFRFH-CABCVRRESA-N 1 1 284.403 3.117 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(C)c2ccc(C)cc2)C1 ZINC001473303090 937800690 /nfs/dbraw/zinc/80/06/90/937800690.db2.gz GSPFFQIECAVCKP-QGZVFWFLSA-N 1 1 258.409 3.472 20 30 CGEDMO C#CC(C)(C)[N@H+](C)C[C@H](C)COCc1ccccc1 ZINC001473378582 937804062 /nfs/dbraw/zinc/80/40/62/937804062.db2.gz JQLCILJPWJQNDP-HNNXBMFYSA-N 1 1 259.393 3.183 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@@H]1C(=O)OC(C)(C)C ZINC001473383638 937804424 /nfs/dbraw/zinc/80/44/24/937804424.db2.gz GMLMIGPFISMEQE-OAHLLOKOSA-N 1 1 279.424 3.376 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@](C)(CNC(=O)CC)C1 ZINC001324905819 934871492 /nfs/dbraw/zinc/87/14/92/934871492.db2.gz XFIBFNVNENUOEZ-QGZVFWFLSA-N 1 1 280.456 3.361 20 30 CGEDMO C=CCC1(C(=O)NC[C@]2(C)CCC[N@H+](CCC)C2)CCC1 ZINC001324957863 934876278 /nfs/dbraw/zinc/87/62/78/934876278.db2.gz OCHIDAMIGSRUDU-KRWDZBQOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](CCCc2cccc(F)c2)C1 ZINC001325227543 934896675 /nfs/dbraw/zinc/89/66/75/934896675.db2.gz GBYBJYLWUHLTDW-INIZCTEOSA-N 1 1 263.356 3.035 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC ZINC001325632546 934921643 /nfs/dbraw/zinc/92/16/43/934921643.db2.gz REPAIMXJEQBSNI-MUJYYYPQSA-N 1 1 292.467 3.358 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccccc2N2CCCC2)CCC1 ZINC001325681552 934923743 /nfs/dbraw/zinc/92/37/43/934923743.db2.gz SLSBXKJTFINBKW-UHFFFAOYSA-N 1 1 269.392 3.070 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)Cc1ccc(F)c(OC)c1 ZINC001325702641 934923940 /nfs/dbraw/zinc/92/39/40/934923940.db2.gz STGGQGPZKGDXCV-UHFFFAOYSA-N 1 1 283.346 3.470 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(F)c(OC)c1 ZINC001325702641 934923945 /nfs/dbraw/zinc/92/39/45/934923945.db2.gz STGGQGPZKGDXCV-UHFFFAOYSA-N 1 1 283.346 3.470 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](C)[C@@H]1C(=O)OC(C)(C)C ZINC001473571711 937812020 /nfs/dbraw/zinc/81/20/20/937812020.db2.gz OUOQEXHCZUIXHK-QWHCGFSZSA-N 1 1 253.386 3.005 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](C)[C@@H]1C(=O)OC(C)(C)C ZINC001473571711 937812021 /nfs/dbraw/zinc/81/20/21/937812021.db2.gz OUOQEXHCZUIXHK-QWHCGFSZSA-N 1 1 253.386 3.005 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC1 ZINC001325878175 934936808 /nfs/dbraw/zinc/93/68/08/934936808.db2.gz XATXKVUNTQRFLM-DLBZAZTESA-N 1 1 290.451 3.208 20 30 CGEDMO CCCCCCC[N@@H+]1CCNC(=O)[C@@H]1c1cccc(C)c1 ZINC001473604172 937813258 /nfs/dbraw/zinc/81/32/58/937813258.db2.gz FKJBUXVXOLSSNG-KRWDZBQOSA-N 1 1 288.435 3.438 20 30 CGEDMO CCCCCCC[N@H+]1CCNC(=O)[C@@H]1c1cccc(C)c1 ZINC001473604172 937813260 /nfs/dbraw/zinc/81/32/60/937813260.db2.gz FKJBUXVXOLSSNG-KRWDZBQOSA-N 1 1 288.435 3.438 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)CCCC ZINC001325899923 934938465 /nfs/dbraw/zinc/93/84/65/934938465.db2.gz OMCSPYZEMFOOFA-ARFHVFGLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@H+](CCOc1cccc(OC)c1)C(C)(C)C ZINC001473651300 937815712 /nfs/dbraw/zinc/81/57/12/937815712.db2.gz QKQCAYJIKCBTNJ-UHFFFAOYSA-N 1 1 263.381 3.361 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C(=C)C)CC1 ZINC001327142947 935035311 /nfs/dbraw/zinc/03/53/11/935035311.db2.gz LBWGAZGRZZNPTC-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C(CC)CC)CC1 ZINC001327097422 935028186 /nfs/dbraw/zinc/02/81/86/935028186.db2.gz DQGMQRREHAQFRP-INIZCTEOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CCC[N@H+](CC)CC2)CCCC1 ZINC001327171973 935040504 /nfs/dbraw/zinc/04/05/04/935040504.db2.gz IEGDPMIMXHNCBZ-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CC2CC2)C(C)(C)C1 ZINC001328060674 935113667 /nfs/dbraw/zinc/11/36/67/935113667.db2.gz MBCQILVAXZWDHX-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1CC[N@@H+](CC(=C)C)CC1(C)C ZINC001328103039 935117802 /nfs/dbraw/zinc/11/78/02/935117802.db2.gz QPTLOFFIPOXDBY-QAPCUYQASA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[N@@H+](CC2CCC2)[C@@H](C)C1 ZINC001328277137 935127829 /nfs/dbraw/zinc/12/78/29/935127829.db2.gz CRDJLXZRFFSASN-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@H]2c3ccccc3CC[N@@H+]2CC)C1 ZINC001328469891 935141626 /nfs/dbraw/zinc/14/16/26/935141626.db2.gz SVNMGUTXULZHGG-KRWDZBQOSA-N 1 1 298.430 3.078 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(Cc2ccc(C)cc2)CC1 ZINC001328652550 935156201 /nfs/dbraw/zinc/15/62/01/935156201.db2.gz FAOVWTIBSPDOBY-UHFFFAOYSA-N 1 1 272.436 3.469 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1cccs1 ZINC001328703304 935160658 /nfs/dbraw/zinc/16/06/58/935160658.db2.gz LRWBFTJHNJSWFY-AWEZNQCLSA-N 1 1 292.448 3.251 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)C(C)(C)C ZINC001329474169 935219269 /nfs/dbraw/zinc/21/92/69/935219269.db2.gz IIWVBRUMISPMPG-KBPBESRZSA-N 1 1 268.445 3.071 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@H](C)[N@@H+](C)Cc1ccsc1 ZINC001329515301 935222430 /nfs/dbraw/zinc/22/24/30/935222430.db2.gz MHRLZGLPJZGOPA-UONOGXRCSA-N 1 1 294.464 3.287 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)CNC(=O)c1cccc(C2CCC2)c1 ZINC001329592034 935230981 /nfs/dbraw/zinc/23/09/81/935230981.db2.gz KKXBVNXQWCYGDB-CQSZACIVSA-N 1 1 286.419 3.190 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)c1ccc(C)cc1C ZINC001329608740 935233103 /nfs/dbraw/zinc/23/31/03/935233103.db2.gz MYKNAILEZXZMLP-MRXNPFEDSA-N 1 1 288.435 3.320 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C(C)(C)C#N)cc1)CC1CC1 ZINC001329933644 935254938 /nfs/dbraw/zinc/25/49/38/935254938.db2.gz GRQHUJJRHVUFEK-UHFFFAOYSA-N 1 1 266.388 3.333 20 30 CGEDMO CC(C)(C)OC(=O)c1ccc[nH+]c1NNC=C1CC1(F)F ZINC001330107757 935269998 /nfs/dbraw/zinc/26/99/98/935269998.db2.gz CNDXAFIGMDAPOU-VIFPVBQESA-N 1 1 297.305 3.090 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)C[C@H]2CC[C@@H](C)C2)CC1 ZINC001331038404 935345457 /nfs/dbraw/zinc/34/54/57/935345457.db2.gz DUYIQEHGXMZMTC-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2nc(-c3ccccc3)c[nH]2)C1 ZINC001331804809 935411048 /nfs/dbraw/zinc/41/10/48/935411048.db2.gz YUIWVBZBSXIPEZ-CQSZACIVSA-N 1 1 267.376 3.475 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)CCC3CC3)CCC[C@H]12 ZINC001332082639 935438168 /nfs/dbraw/zinc/43/81/68/935438168.db2.gz PFYPOZDGDKQHNR-FUHWJXTLSA-N 1 1 290.451 3.256 20 30 CGEDMO C#CCCCCCC(=O)N[C@H]1CCC[N@@H+](CC(=C)C)[C@H]1C ZINC001332197558 935448437 /nfs/dbraw/zinc/44/84/37/935448437.db2.gz CPMXWIMYSFUQGM-IRXDYDNUSA-N 1 1 290.451 3.115 20 30 CGEDMO C=C/C(C)=C\CC(=O)N[C@@H]1CCC[N@@H+](CCC(=C)C)[C@@H]1C ZINC001332199006 935449317 /nfs/dbraw/zinc/44/93/17/935449317.db2.gz NAWHEOSKYXDRDQ-CBNFBOEASA-N 1 1 290.451 3.444 20 30 CGEDMO C#CC[N@H+](C)CCN(C(=O)[C@@H]1CCCC[C@@H]1CC)C(C)C ZINC001332736110 935486122 /nfs/dbraw/zinc/48/61/22/935486122.db2.gz WDSRGNLXYYHGOG-DLBZAZTESA-N 1 1 292.467 3.005 20 30 CGEDMO CC[C@@]1(CO)CCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001332937680 935498677 /nfs/dbraw/zinc/49/86/77/935498677.db2.gz KWSBWKSURCTPIN-MRXNPFEDSA-N 1 1 292.810 3.196 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)[C@@H](C)c1snnc1C ZINC001333195917 935517309 /nfs/dbraw/zinc/51/73/09/935517309.db2.gz PBIUDMKEVGPIHM-LBPRGKRZSA-N 1 1 277.393 3.231 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)[C@@H](C)c1snnc1C ZINC001333195917 935517313 /nfs/dbraw/zinc/51/73/13/935517313.db2.gz PBIUDMKEVGPIHM-LBPRGKRZSA-N 1 1 277.393 3.231 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)Cc2ccccc2CF)n1 ZINC001334228994 936091856 /nfs/dbraw/zinc/09/18/56/936091856.db2.gz WIGJXDTTWSVXRC-UHFFFAOYSA-N 1 1 285.366 3.008 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)Cc2ccccc2CF)n1 ZINC001334228994 936091861 /nfs/dbraw/zinc/09/18/61/936091861.db2.gz WIGJXDTTWSVXRC-UHFFFAOYSA-N 1 1 285.366 3.008 20 30 CGEDMO CC[N@@H+](CCCNC[C@H](C#N)CCC#N)C1CCCCC1 ZINC001335318436 936139231 /nfs/dbraw/zinc/13/92/31/936139231.db2.gz VJCXAJQRSPLYPM-INIZCTEOSA-N 1 1 290.455 3.064 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC001473857394 937825160 /nfs/dbraw/zinc/82/51/60/937825160.db2.gz QCTMCLVVLNGQIC-OAHLLOKOSA-N 1 1 298.386 3.275 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC001473865221 937825692 /nfs/dbraw/zinc/82/56/92/937825692.db2.gz NFABYKJVMZLZHI-HIFRSBDPSA-N 1 1 290.794 3.096 20 30 CGEDMO C[C@H](CC#N)[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC001474250846 937846329 /nfs/dbraw/zinc/84/63/29/937846329.db2.gz LVCKXYYPLSOKCY-SNVBAGLBSA-N 1 1 285.313 3.163 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2N(C)C)C[C@H]1C ZINC001474370590 937855606 /nfs/dbraw/zinc/85/56/06/937855606.db2.gz XMWBMTHMYQBQKN-UONOGXRCSA-N 1 1 271.408 3.102 20 30 CGEDMO CCCn1cncc1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC001474389040 937856771 /nfs/dbraw/zinc/85/67/71/937856771.db2.gz DWFWFCQTOQTBRU-UHFFFAOYSA-N 1 1 294.402 3.329 20 30 CGEDMO CCCn1cncc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC001474389040 937856772 /nfs/dbraw/zinc/85/67/72/937856772.db2.gz DWFWFCQTOQTBRU-UHFFFAOYSA-N 1 1 294.402 3.329 20 30 CGEDMO C#CC[N@H+](Cc1cn(CC)nc1-c1ccccc1)C1CC1 ZINC001474532457 937865195 /nfs/dbraw/zinc/86/51/95/937865195.db2.gz MOWFLBOPGZSEDR-UHFFFAOYSA-N 1 1 279.387 3.168 20 30 CGEDMO C#Cc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC001474580126 937868499 /nfs/dbraw/zinc/86/84/99/937868499.db2.gz SOKOZZVENXULSW-UHFFFAOYSA-N 1 1 284.290 3.005 20 30 CGEDMO C#CC[N@H+](C)C[C@@H](C)c1cccc(Br)c1 ZINC001474733904 937877991 /nfs/dbraw/zinc/87/79/91/937877991.db2.gz XFVWGAMUHLHUOQ-LLVKDONJSA-N 1 1 266.182 3.118 20 30 CGEDMO CCCCCCCCCNC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC001477450884 937895391 /nfs/dbraw/zinc/89/53/91/937895391.db2.gz UFFMXEGXGRLOGQ-MRXNPFEDSA-N 1 1 297.487 3.473 20 30 CGEDMO CC#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(CC)CC ZINC001479234516 937917796 /nfs/dbraw/zinc/91/77/96/937917796.db2.gz FUCCYEXNLDTPLH-KRWDZBQOSA-N 1 1 292.467 3.149 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](NC(=O)CCCCC(C)(C)C)[C@H]1CC ZINC001479635764 937923186 /nfs/dbraw/zinc/92/31/86/937923186.db2.gz MUMFPGPCZFOGMR-JKSUJKDBSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)C2=CCCC2)[C@H]1C ZINC001479704432 937924189 /nfs/dbraw/zinc/92/41/89/937924189.db2.gz WUVMVXNQMTTWJE-WBVHZDCISA-N 1 1 290.451 3.422 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)CCCCC)[C@H]1C ZINC001479721624 937925076 /nfs/dbraw/zinc/92/50/76/937925076.db2.gz UBITYIXSPIYEMN-ZACQAIPSSA-N 1 1 292.467 3.195 20 30 CGEDMO C=C(Cl)C[N@@H+](CCCNC(=O)/C=C(\C)C1CC1)C1CC1 ZINC001479865355 937928160 /nfs/dbraw/zinc/92/81/60/937928160.db2.gz OQWIEAQXVPVBBQ-ZRDIBKRKSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@H+](CCCNC(=O)/C=C(\C)C1CC1)C1CC1 ZINC001479865355 937928163 /nfs/dbraw/zinc/92/81/63/937928163.db2.gz OQWIEAQXVPVBBQ-ZRDIBKRKSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@](C)(CC)CCC)C1 ZINC001479912736 937928855 /nfs/dbraw/zinc/92/88/55/937928855.db2.gz YVEPKIPHLIGTQS-NVXWUHKLSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)CCCC2CCCC2)C1 ZINC001479915406 937928960 /nfs/dbraw/zinc/92/89/60/937928960.db2.gz URWCIFRZMILFPC-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)CCC2(C)CC2)C1 ZINC001479911893 937929017 /nfs/dbraw/zinc/92/90/17/937929017.db2.gz UDAVQDKMTDCMNL-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)/C(C)=C\CC)C1 ZINC001479945676 937929529 /nfs/dbraw/zinc/92/95/29/937929529.db2.gz KKUUDSURSOBHAH-IZNAZMGOSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)C2CCC(=C)CC2)C1 ZINC001479963111 937930080 /nfs/dbraw/zinc/93/00/80/937930080.db2.gz PPSOTYNXWNWNIY-DOTOQJQBSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC(CC)CC)C1 ZINC001480189899 937934038 /nfs/dbraw/zinc/93/40/38/937934038.db2.gz URJBTPISNPZUJY-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCCCCC)C1 ZINC001480189713 937934079 /nfs/dbraw/zinc/93/40/79/937934079.db2.gz QZEGONGDKBAQOI-SJORKVTESA-N 1 1 292.467 3.456 20 30 CGEDMO CC(C)C#CC(=O)NC[C@@H]1CCCC[N@@H+]1CCCC(C)C ZINC001480316238 937936390 /nfs/dbraw/zinc/93/63/90/937936390.db2.gz FNRPKIMFDQUOQV-KRWDZBQOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)/C=C(/C)C2CC2)C1 ZINC001480376533 937937585 /nfs/dbraw/zinc/93/75/85/937937585.db2.gz OZTFILCMFVLXJH-LAJUXKIGSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)C(C)(C)C ZINC001480392599 937938032 /nfs/dbraw/zinc/93/80/32/937938032.db2.gz KQPCCLSEVJWOFO-RFBLXINOSA-N 1 1 292.467 3.070 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)CCC ZINC001480395707 937938081 /nfs/dbraw/zinc/93/80/81/937938081.db2.gz ATFRWFLNMSVWOO-MTSZKFMLSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)C2CCC2)C1 ZINC001480731083 937942424 /nfs/dbraw/zinc/94/24/24/937942424.db2.gz NLQIZEDNWCVLGP-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CCC[N@H+](C)[C@H]1CCCN(C(=O)C[C@@H](CC)C(C)C)C1 ZINC001480737880 937942920 /nfs/dbraw/zinc/94/29/20/937942920.db2.gz AYMPWLARSDHZHH-SJORKVTESA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]([N@@H+](C)C/C=C/Cl)C1 ZINC001480735187 937943185 /nfs/dbraw/zinc/94/31/85/937943185.db2.gz RCOOEPLFAUJEDR-RNVIBTMRSA-N 1 1 284.831 3.018 20 30 CGEDMO C=CCCC(=O)NCC[N@H+](C)Cc1ccc(Cl)cc1C ZINC001480848271 937946019 /nfs/dbraw/zinc/94/60/19/937946019.db2.gz MOYXTJRVYWMSAO-UHFFFAOYSA-N 1 1 294.826 3.163 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H](CNC(=O)CCC2CCCC2)C1 ZINC001493175722 937947927 /nfs/dbraw/zinc/94/79/27/937947927.db2.gz MWBNRQJIANWLTJ-KRWDZBQOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)C(C)(C)C)C1 ZINC001493214539 937948352 /nfs/dbraw/zinc/94/83/52/937948352.db2.gz YRNXTVYVQBPOON-LSDHHAIUSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1CC[N@H+](CC/C=C/CC)C1 ZINC001493206436 937948790 /nfs/dbraw/zinc/94/87/90/937948790.db2.gz JSCJIDDAKKZMPL-WAVCKPEOSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](CNC(=O)C(CC)(CC)CC)C1 ZINC001493252092 937949195 /nfs/dbraw/zinc/94/91/95/937949195.db2.gz YOAXJLODLPWZTG-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@H]([NH2+]CCF)c1ccccc1 ZINC001493900010 937951867 /nfs/dbraw/zinc/95/18/67/937951867.db2.gz TUOQNZOFECFYNT-HNNXBMFYSA-N 1 1 292.398 3.005 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)C2CCCCC2)C1 ZINC001493939641 937952290 /nfs/dbraw/zinc/95/22/90/937952290.db2.gz UOLYDQYNATUVDL-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](CCNC(=O)C(F)=C2CCCC2)C1 ZINC001494003623 937952808 /nfs/dbraw/zinc/95/28/08/937952808.db2.gz IHHUZGQEJUNLNJ-CQSZACIVSA-N 1 1 294.414 3.188 20 30 CGEDMO C=CCCC(=O)N1CC[C@H](C[N@H+](C)CC/C=C\CC)C1 ZINC001494117945 937953319 /nfs/dbraw/zinc/95/33/19/937953319.db2.gz BBHPNJIWFIVPIJ-QKIRZYONSA-N 1 1 278.440 3.089 20 30 CGEDMO C#CC[N@H+](C)C[C@H]1CCN(C(=O)CCCCCC(C)C)C1 ZINC001494164068 937953557 /nfs/dbraw/zinc/95/35/57/937953557.db2.gz VOUCCNIDBJWAHP-QGZVFWFLSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](CC/C=C/CC)C2)C1 ZINC001494324848 937954258 /nfs/dbraw/zinc/95/42/58/937954258.db2.gz RRQGMZLAFQXKAK-JFDDCEBESA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CCC(=O)NC1C[NH+](CCCC2CCCC2)C1 ZINC001494396323 937954526 /nfs/dbraw/zinc/95/45/26/937954526.db2.gz OEVWXSBCKPZGTQ-UHFFFAOYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)CCCC ZINC001494643105 937955222 /nfs/dbraw/zinc/95/52/22/937955222.db2.gz LEABNZLQRABWKZ-PMPSAXMXSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC1(C(=O)N(C)[C@H]2CC[N@H+](C[C@H](F)CC)C2)CCC1 ZINC001494849430 937956787 /nfs/dbraw/zinc/95/67/87/937956787.db2.gz YWEAYYKYHUKGPR-CABCVRRESA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CC)CC[C@@H]21 ZINC001496851750 937964432 /nfs/dbraw/zinc/96/44/32/937964432.db2.gz SMULSLYFNZBVKG-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)CC1CCCCC1 ZINC001498224215 937968227 /nfs/dbraw/zinc/96/82/27/937968227.db2.gz SWAFSGZLFRGGDU-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CCC(=O)N[C@H](C)C[N@@H+](C)CC1CCCCC1 ZINC001498301961 937969012 /nfs/dbraw/zinc/96/90/12/937969012.db2.gz VSALTBMVAMTABS-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@]1(C)CC=CCC1 ZINC001498296071 937969014 /nfs/dbraw/zinc/96/90/14/937969014.db2.gz ONWWBHYOQLAXDZ-RDJZCZTQSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)C12CCC(CC1)C2(C)C ZINC001498402288 937969581 /nfs/dbraw/zinc/96/95/81/937969581.db2.gz ZBPNVJAOCRVOCB-SYJJWHGVSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001498414568 937969632 /nfs/dbraw/zinc/96/96/32/937969632.db2.gz HSWWQXYTUDWORB-ULQDDVLXSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(Cl)c(F)c1 ZINC001498387777 937969654 /nfs/dbraw/zinc/96/96/54/937969654.db2.gz CVLHWIPLKWWJLT-NSHDSACASA-N 1 1 298.789 3.105 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)c1ccoc1C(C)C ZINC001498465999 937969718 /nfs/dbraw/zinc/96/97/18/937969718.db2.gz SIUPVWFARWHOPU-CYBMUJFWSA-N 1 1 278.396 3.029 20 30 CGEDMO C=C(C)CCC(=O)N1CCCC[C@@H]1[C@H]1CC[N@H+](CC)C1 ZINC001499481091 937973423 /nfs/dbraw/zinc/97/34/23/937973423.db2.gz LYRYFFGIOKMDCU-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO CC#CC[N@H+](CCNC(=O)[C@H](C)CC)C1CCCCCC1 ZINC001499517536 937973664 /nfs/dbraw/zinc/97/36/64/937973664.db2.gz GCOMUTREFTWRPA-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC(=O)N[C@]1(C)CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001500189529 937976455 /nfs/dbraw/zinc/97/64/55/937976455.db2.gz IIGBXHSZYMVARX-MAUKXSAKSA-N 1 1 286.419 3.294 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)C=C2CCCCC2)C1 ZINC001500191470 937976509 /nfs/dbraw/zinc/97/65/09/937976509.db2.gz KYNDJDYCJVZJKJ-GOSISDBHSA-N 1 1 290.451 3.424 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)/C=C/C(C)(C)C)C1 ZINC001500482498 937977545 /nfs/dbraw/zinc/97/75/45/937977545.db2.gz WRYPNMOOEDWADU-LNENJAERSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C)C(C)C)C[C@H]2C1 ZINC001501232599 937979187 /nfs/dbraw/zinc/97/91/87/937979187.db2.gz KIYQKJSXXPPSBX-TWMKSMIVSA-N 1 1 292.467 3.023 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)CC)C[C@H]2C1 ZINC001501228653 937979247 /nfs/dbraw/zinc/97/92/47/937979247.db2.gz YCJXSONCTGVFCY-OAGGEKHMSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)C[C@@H](C)CC)C[C@H]2C1 ZINC001501217403 937979332 /nfs/dbraw/zinc/97/93/32/937979332.db2.gz YWYBVIJDROTKFV-VVLHAWIVSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)CCC)CC1 ZINC001502116541 937981461 /nfs/dbraw/zinc/98/14/61/937981461.db2.gz MAALYLZWGNYEOF-JSGCOSHPSA-N 1 1 286.847 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)[C@H](C)C(C)(C)C ZINC001502345718 937981822 /nfs/dbraw/zinc/98/18/22/937981822.db2.gz JMVMEHYJXLMRFU-ZDUSSCGKSA-N 1 1 288.863 3.201 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCN(C)C(=O)[C@H](C)C(C)(C)C ZINC001502345718 937981823 /nfs/dbraw/zinc/98/18/23/937981823.db2.gz JMVMEHYJXLMRFU-ZDUSSCGKSA-N 1 1 288.863 3.201 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCC12CC2 ZINC001502345396 937982035 /nfs/dbraw/zinc/98/20/35/937982035.db2.gz CVBUYBOYLFNLFY-AWEZNQCLSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCC12CC2 ZINC001502345396 937982036 /nfs/dbraw/zinc/98/20/36/937982036.db2.gz CVBUYBOYLFNLFY-AWEZNQCLSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)[C@H]1CC[C@@H](C)C1 ZINC001502380084 937982132 /nfs/dbraw/zinc/98/21/32/937982132.db2.gz BFSCYBLNDWLIBS-CVEARBPZSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCC)C2 ZINC001502538711 937982738 /nfs/dbraw/zinc/98/27/38/937982738.db2.gz QISQQXRMSYVFES-KRWDZBQOSA-N 1 1 278.440 3.067 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)CC(C)(C)C)C(C)(C)C1 ZINC001502817983 937983360 /nfs/dbraw/zinc/98/33/60/937983360.db2.gz NOEXRLLLWVTIRO-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)CSC(C)C)C[C@@H]1C ZINC001502903973 937983544 /nfs/dbraw/zinc/98/35/44/937983544.db2.gz WZYLUAUPNKLOMR-LSDHHAIUSA-N 1 1 298.496 3.063 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@H]1C[N@H+](C)CCCC ZINC001505445225 937985403 /nfs/dbraw/zinc/98/54/03/937985403.db2.gz QRQJJBCWSJIEQG-DOTOQJQBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)C1(C)CC(=C)C1 ZINC001505444744 937985620 /nfs/dbraw/zinc/98/56/20/937985620.db2.gz HEHFODFZDLCADJ-MRXNPFEDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)Cc1ccsc1 ZINC001505862017 937987332 /nfs/dbraw/zinc/98/73/32/937987332.db2.gz RXERESWCJDMRIL-UONOGXRCSA-N 1 1 294.464 3.082 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001505925779 937987895 /nfs/dbraw/zinc/98/78/95/937987895.db2.gz ZZECAVPBPTUSOP-JKSUJKDBSA-N 1 1 278.440 3.136 20 30 CGEDMO C#CCCCC(=O)NC[C@H](C)[N@@H+](C)CC1CCCCCC1 ZINC001505909761 937988110 /nfs/dbraw/zinc/98/81/10/937988110.db2.gz GGQXJTFGUNLQAB-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)CC(C)C ZINC001506581963 937990986 /nfs/dbraw/zinc/99/09/86/937990986.db2.gz ZRTXSKDEPVZTFK-INIZCTEOSA-N 1 1 292.467 3.053 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[C@@H]2C)C(C)(C)C1 ZINC001506742581 937991663 /nfs/dbraw/zinc/99/16/63/937991663.db2.gz CCCZGXCRZHRLBB-HRCADAONSA-N 1 1 294.483 3.439 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)C[C@@H](CC)C(C)C)CCC[C@@H]12 ZINC001507353022 937995282 /nfs/dbraw/zinc/99/52/82/937995282.db2.gz RMXUBWBFNBEGHD-JFIYKMOQSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CCC[N@@H+](CCC2CC2)[C@H]1C ZINC001507377088 937995629 /nfs/dbraw/zinc/99/56/29/937995629.db2.gz SFSKQNVWTWUHCO-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C(=O)CC(F)(F)F)C(C)C ZINC001507767306 937996541 /nfs/dbraw/zinc/99/65/41/937996541.db2.gz ULEPWYKLTGYHMM-UHFFFAOYSA-N 1 1 294.361 3.074 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)C1CCC2(CC2)CC1)C(C)C ZINC001507817770 937996815 /nfs/dbraw/zinc/99/68/15/937996815.db2.gz KJTLODPYFVPRON-UHFFFAOYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)c1ccsc1C)C(C)C ZINC001507787221 937996900 /nfs/dbraw/zinc/99/69/00/937996900.db2.gz IMLOBRZSHWBFAO-UHFFFAOYSA-N 1 1 280.437 3.025 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)[C@H](C)[C@@H](C)C(C)(C)C)CC1 ZINC001508225582 937998703 /nfs/dbraw/zinc/99/87/03/937998703.db2.gz TWJVPKYHYUOERW-HUUCEWRRSA-N 1 1 292.467 3.239 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[N@@H+](C2CCCC2)[C@@H](C)C1 ZINC001520686040 938026890 /nfs/dbraw/zinc/02/68/90/938026890.db2.gz WPDLXXBGOHLLIF-AWEZNQCLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC1(C(=O)N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)CCCCC1 ZINC001537409358 938110134 /nfs/dbraw/zinc/11/01/34/938110134.db2.gz ZYNRBNFEROYZGP-HZPDHXFCSA-N 1 1 292.467 3.454 20 30 CGEDMO Cc1cc(C#N)cc(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC001557005515 938207264 /nfs/dbraw/zinc/20/72/64/938207264.db2.gz ZTPBBZODGVIZIU-QGZVFWFLSA-N 1 1 293.370 3.108 20 30 CGEDMO CC[N@H+]1CC[C@@H](N(C)c2cc(C)cc(F)c2C#N)[C@@H](C)C1 ZINC001559113745 938220494 /nfs/dbraw/zinc/22/04/94/938220494.db2.gz VPSSFDGYIXAHAK-XJKSGUPXSA-N 1 1 289.398 3.172 20 30 CGEDMO C=CCCCCC[N@H+](C)CCOc1ccc2c(c1)OCO2 ZINC001559556230 938229386 /nfs/dbraw/zinc/22/93/86/938229386.db2.gz WOBNWCWPKXPQHZ-UHFFFAOYSA-N 1 1 291.391 3.472 20 30 CGEDMO CCCCCCCCCC[N@H+]1CCN(C)C(=O)[C@H]1C ZINC001559771118 938235326 /nfs/dbraw/zinc/23/53/26/938235326.db2.gz KRCMEYHWPFHBLN-OAHLLOKOSA-N 1 1 268.445 3.290 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC001559832452 938236572 /nfs/dbraw/zinc/23/65/72/938236572.db2.gz RVHPWOPBJLAUQC-NSHDSACASA-N 1 1 299.305 3.456 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](CCc2c(F)cccc2Cl)C1 ZINC001559947620 938239760 /nfs/dbraw/zinc/23/97/60/938239760.db2.gz XSKZYJUEUBPQSA-GFCCVEGCSA-N 1 1 265.759 3.367 20 30 CGEDMO C#C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC001560209750 938247355 /nfs/dbraw/zinc/24/73/55/938247355.db2.gz WWZXBNVCMRTUFF-OAHLLOKOSA-N 1 1 290.794 3.156 20 30 CGEDMO N#Cc1cc(C[NH2+][C@@H]2COc3ccc(Cl)cc32)cs1 ZINC001560392745 938256562 /nfs/dbraw/zinc/25/65/62/938256562.db2.gz ZSTYFDJSYAQUEK-CYBMUJFWSA-N 1 1 290.775 3.496 20 30 CGEDMO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](CCCCC)C(=O)OC)C1 ZINC001560764034 938274636 /nfs/dbraw/zinc/27/46/36/938274636.db2.gz RCDWTKDJAZINTQ-RBSFLKMASA-N 1 1 267.413 3.443 20 30 CGEDMO C[C@@H]1CCCCC[N@H+]1Cc1cc(C#N)ccc1N(C)C ZINC001560769090 938274925 /nfs/dbraw/zinc/27/49/25/938274925.db2.gz RGNXALPHOUJJLV-CQSZACIVSA-N 1 1 271.408 3.389 20 30 CGEDMO C[C@H]1CC(C)(C)C[N@H+]1Cc1cc(C#N)ccc1N(C)C ZINC001560889943 938282057 /nfs/dbraw/zinc/28/20/57/938282057.db2.gz WKTFPWSGRPLFIV-ZDUSSCGKSA-N 1 1 271.408 3.245 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC001560901201 938282934 /nfs/dbraw/zinc/28/29/34/938282934.db2.gz NOCQXXKDMBNWSE-MRXNPFEDSA-N 1 1 270.420 3.296 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cn3cc(C)ccc3n2)C1 ZINC001560923753 938284296 /nfs/dbraw/zinc/28/42/96/938284296.db2.gz LXFXDUYESDSIDI-HNNXBMFYSA-N 1 1 269.392 3.431 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)c1csc(C)c1C ZINC001480868802 957677327 /nfs/dbraw/zinc/67/73/27/957677327.db2.gz XJORHUQCYVEYOV-GFCCVEGCSA-N 1 1 294.464 3.381 20 30 CGEDMO CCCCCCCC[N@H+]1CCSC[C@H]1CC(=O)OC ZINC001307582809 957840197 /nfs/dbraw/zinc/84/01/97/957840197.db2.gz IDYCKOWMMJXNAB-CQSZACIVSA-N 1 1 287.469 3.327 20 30 CGEDMO C=CCC(C)(C)C(=O)N(C)C[C@H]1CC[N@@H+]1CCCCC ZINC001565827301 960587228 /nfs/dbraw/zinc/58/72/28/960587228.db2.gz AGCBEDFHSCABEJ-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)CCCCCC(C)C)C1 ZINC001567942813 960607271 /nfs/dbraw/zinc/60/72/71/960607271.db2.gz UDBRYROHYRHDLB-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N(C)C[C@H]1CC[N@H+]1CCCCCF ZINC001565822329 960829004 /nfs/dbraw/zinc/82/90/04/960829004.db2.gz CZSQIYXXCHNNSO-OAHLLOKOSA-N 1 1 298.446 3.261 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCC1CCCC1 ZINC001565835570 960829742 /nfs/dbraw/zinc/82/97/42/960829742.db2.gz PLAYSBOMHVXPLC-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC1(C=C)CCCCC1 ZINC001565828904 960830594 /nfs/dbraw/zinc/83/05/94/960830594.db2.gz TZRXVJHCNQIRPD-MRXNPFEDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CCCC#CC ZINC001566124363 960887553 /nfs/dbraw/zinc/88/75/53/960887553.db2.gz QIABDFSTUPDPAT-KRWDZBQOSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)C(C)C)CC(C)(C)C1 ZINC001566127636 960891549 /nfs/dbraw/zinc/89/15/49/960891549.db2.gz DJGRNWHXVXQAAK-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C=C1CCC1 ZINC001566119152 960897477 /nfs/dbraw/zinc/89/74/77/960897477.db2.gz CFIHFMCXRQZVSA-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCCC[N@H+](C)CCCNC(=O)[C@H]1CCC[C@@H](C)C1 ZINC001566486545 960938414 /nfs/dbraw/zinc/93/84/14/960938414.db2.gz IGMUZLJJIMIATN-CVEARBPZSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCC[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC001566486548 960939042 /nfs/dbraw/zinc/93/90/42/960939042.db2.gz IGMUZLJJIMIATN-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCC[N@@H+](C)CCCNC(=O)c1cccc(F)c1C ZINC001566455803 960945346 /nfs/dbraw/zinc/94/53/46/960945346.db2.gz HVQVDKWSUIHMCB-UHFFFAOYSA-N 1 1 292.398 3.152 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCCNC(=O)c1[nH]c(C)cc1C ZINC001566555385 960950994 /nfs/dbraw/zinc/95/09/94/960950994.db2.gz VFAINUOFHFUSRL-UHFFFAOYSA-N 1 1 291.439 3.040 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)CC/C=C\c2ccccc2)C1 ZINC001566671832 960978448 /nfs/dbraw/zinc/97/84/48/960978448.db2.gz BXANAAWUNKAIGR-OEPRFQHASA-N 1 1 298.430 3.247 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CCC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001566623551 960978489 /nfs/dbraw/zinc/97/84/89/960978489.db2.gz PRJJMEVFPVSWRD-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@@H+](C[C@H](F)CC)C2)CCCC1 ZINC001566684869 960989195 /nfs/dbraw/zinc/98/91/95/960989195.db2.gz YBILHUIGYODFPO-CABCVRRESA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@H+](C[C@H](F)CC)C2)CCCC1 ZINC001566684869 960989212 /nfs/dbraw/zinc/98/92/12/960989212.db2.gz YBILHUIGYODFPO-CABCVRRESA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(CC)CC ZINC001566915135 961043539 /nfs/dbraw/zinc/04/35/39/961043539.db2.gz LYLKZLRWGCYOAZ-INIZCTEOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)C1CC1 ZINC001566925205 961061974 /nfs/dbraw/zinc/06/19/74/961061974.db2.gz CLKJYXBQUDEDQQ-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCCCCC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H](C)CC ZINC001566919717 961063673 /nfs/dbraw/zinc/06/36/73/961063673.db2.gz FQCWOCPEHNWBHF-IRXDYDNUSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)CCCC#CC)C1 ZINC001567195902 961138823 /nfs/dbraw/zinc/13/88/23/961138823.db2.gz DJEUMSRPZSOSEB-QGZVFWFLSA-N 1 1 290.451 3.069 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)c1cc(C)co1 ZINC001567261673 961152312 /nfs/dbraw/zinc/15/23/12/961152312.db2.gz NIZPFRYEJCJBSJ-HNNXBMFYSA-N 1 1 290.407 3.139 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)C=C1CCC1 ZINC001567248687 961153899 /nfs/dbraw/zinc/15/38/99/961153899.db2.gz YIUZVIZKSFVHKV-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)C(C)(C)C(=C)C ZINC001567257457 961156305 /nfs/dbraw/zinc/15/63/05/961156305.db2.gz OAZVPDWYKAURGA-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C(C)(CC)CC ZINC001567266142 961156544 /nfs/dbraw/zinc/15/65/44/961156544.db2.gz HEWGHJNHBJJHBE-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)c1cc2ccc(C)cc2[nH]1 ZINC001567295301 961263888 /nfs/dbraw/zinc/26/38/88/961263888.db2.gz JZZAEHHRZMHQCD-UHFFFAOYSA-N 1 1 299.418 3.104 20 30 CGEDMO C=CC[N@H+](C)CCNC(=O)c1cc(CC)c(CCC)s1 ZINC001567318834 961276526 /nfs/dbraw/zinc/27/65/26/961276526.db2.gz PMZYPLRBELPXLK-UHFFFAOYSA-N 1 1 294.464 3.111 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)C[C@H](C)CC(C)(C)C ZINC001567345185 961285881 /nfs/dbraw/zinc/28/58/81/961285881.db2.gz LHFAWZHHWUYDAM-HNNXBMFYSA-N 1 1 282.472 3.463 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)CC1CCC1 ZINC001567361914 961302634 /nfs/dbraw/zinc/30/26/34/961302634.db2.gz XSQSGINACYWXAO-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)C(C)=C1CCCC1 ZINC001567360984 961303293 /nfs/dbraw/zinc/30/32/93/961303293.db2.gz IVXSWFBBBFECCY-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](CNC(=O)C2(C)CC(=C)C2)C1 ZINC001567410108 961323865 /nfs/dbraw/zinc/32/38/65/961323865.db2.gz VKNWVZVDYDVOQM-JKSUJKDBSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)c1c(C)cccc1C ZINC001567430184 961331177 /nfs/dbraw/zinc/33/11/77/961331177.db2.gz PXZPYGLDDACIHZ-UHFFFAOYSA-N 1 1 288.435 3.321 20 30 CGEDMO C#CCC[N@@H+](CCC)CCNC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001567431680 961338178 /nfs/dbraw/zinc/33/81/78/961338178.db2.gz NUBNXJYEEPLHRZ-QAQDUYKDSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CC[N@H+](CCNC(=O)c1ccc(C)c(Cl)c1)C1CC1 ZINC001567449421 961357372 /nfs/dbraw/zinc/35/73/72/961357372.db2.gz XHGMRYOLNBNSKX-UHFFFAOYSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)CC1CC(C)(C)C1)C(C)C ZINC001567647242 961385838 /nfs/dbraw/zinc/38/58/38/961385838.db2.gz GZGBYOCCOXBBTB-UHFFFAOYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](CCNC(=O)C2CCC=CCC2)C1 ZINC001567713832 961406587 /nfs/dbraw/zinc/40/65/87/961406587.db2.gz BBBCIUGUENIFSX-MRXNPFEDSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CCC(=O)NCC[C@H]1CC[N@H+](C[C@@H](C)CC)C1 ZINC001567701185 961407559 /nfs/dbraw/zinc/40/75/59/961407559.db2.gz DOMNOZUPDXTDJI-HOTGVXAUSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C(=C)C ZINC001567860493 961444766 /nfs/dbraw/zinc/44/47/66/961444766.db2.gz MXDJWMLIESJZTJ-PMPSAXMXSA-N 1 1 290.451 3.229 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)C2CC2)C1 ZINC001567888297 961455903 /nfs/dbraw/zinc/45/59/03/961455903.db2.gz JEJWWCCQTLLNBV-GOEBONIOSA-N 1 1 280.456 3.193 20 30 CGEDMO C=CC(C)(C)C(=O)N(C)[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001567918617 961460319 /nfs/dbraw/zinc/46/03/19/961460319.db2.gz MAOSXMUWVSWUCL-INIZCTEOSA-N 1 1 290.451 3.232 20 30 CGEDMO CC#CCCCC(=O)N(C)CC[N@@H+](C)CCC(C)(C)C ZINC001568492898 961596925 /nfs/dbraw/zinc/59/69/25/961596925.db2.gz BHNMVFFIZWCLIX-UHFFFAOYSA-N 1 1 280.456 3.006 20 30 CGEDMO CN(CC[N@@H+](C)CC1CCCCC1)C(=O)C#CC(C)(C)C ZINC001568480346 961597602 /nfs/dbraw/zinc/59/76/02/961597602.db2.gz CQSRVQLKYFUYPU-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C ZINC001568489126 961600277 /nfs/dbraw/zinc/60/02/77/961600277.db2.gz ONKSFOBIOFOGOF-HOTGVXAUSA-N 1 1 292.467 3.191 20 30 CGEDMO C=CCCCC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CCC2CC2)C1 ZINC001568512849 961604405 /nfs/dbraw/zinc/60/44/05/961604405.db2.gz CPCKNJMUVSDQAA-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCCCCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001568787477 961645320 /nfs/dbraw/zinc/64/53/20/961645320.db2.gz IFSBSHBPYUDQNH-CVEARBPZSA-N 1 1 278.440 3.256 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)CC1CC(C)(C)C1 ZINC001569134767 961701796 /nfs/dbraw/zinc/70/17/96/961701796.db2.gz KKKCJRKDFQEJFN-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)CCC(C)(C)C ZINC001569131991 961702383 /nfs/dbraw/zinc/70/23/83/961702383.db2.gz BTCNGHQHKHPBBQ-ZDUSSCGKSA-N 1 1 268.445 3.071 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC2(CC2)C1 ZINC001569118952 961702408 /nfs/dbraw/zinc/70/24/08/961702408.db2.gz YBPAXQZFGGOTPK-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CC[N@H+]1CC/C=C/c1ccccc1 ZINC001569350697 961737866 /nfs/dbraw/zinc/73/78/66/961737866.db2.gz OPCJDIJITDIDFS-JGZYNSJSSA-N 1 1 298.430 3.247 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)CCC ZINC001569443923 961765999 /nfs/dbraw/zinc/76/59/99/961765999.db2.gz GCHMPUVMBZEMHM-ZACQAIPSSA-N 1 1 292.467 3.454 20 30 CGEDMO C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001569651606 961805122 /nfs/dbraw/zinc/80/51/22/961805122.db2.gz SWKSPVMVHXYMOI-YJBOKZPZSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001569641776 961809615 /nfs/dbraw/zinc/80/96/15/961809615.db2.gz SQZQLKZUAARFIE-AEFFLSMTSA-N 1 1 290.451 3.280 20 30 CGEDMO C#CCCCC(=O)N[C@]1(C)CC[N@H+](C[C@H](C)CC(C)C)C1 ZINC001569638304 961813209 /nfs/dbraw/zinc/81/32/09/961813209.db2.gz XWLLCFWMCWHGNF-SJLPKXTDSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@]1(C)CCC[N@H+](C[C@H](F)CC)C1 ZINC001569719184 961825969 /nfs/dbraw/zinc/82/59/69/961825969.db2.gz DAJWTWSVXSPALJ-RHSMWYFYSA-N 1 1 298.446 3.165 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)/C=C(/C)C2CC2)C1 ZINC001569710406 961831486 /nfs/dbraw/zinc/83/14/86/961831486.db2.gz SEZWLWKJNOWLDC-QWSHFYNQSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@]1(C)CCC[N@@H+](C/C=C\Cl)C1 ZINC001569720541 961840621 /nfs/dbraw/zinc/84/06/21/961840621.db2.gz QAQTXUYINIWXMO-DZFYGRHCSA-N 1 1 298.858 3.169 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)CC(CC)CC)C1 ZINC001569723381 961845113 /nfs/dbraw/zinc/84/51/13/961845113.db2.gz FXVGNASASQTJSA-SFHVURJKSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(CCC)CC1 ZINC001569912816 961877431 /nfs/dbraw/zinc/87/74/31/961877431.db2.gz KCDVEZUZWQUZQR-JKSUJKDBSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[C@@H](F)C1 ZINC001570196688 961928134 /nfs/dbraw/zinc/92/81/34/961928134.db2.gz OHJDQPRFJUVOAC-JKSUJKDBSA-N 1 1 298.446 3.261 20 30 CGEDMO C=CCCC(=O)N1CCC[C@]2(CC[N@H+](C[C@@H](C)CC)C2)C1 ZINC001570271980 961943176 /nfs/dbraw/zinc/94/31/76/961943176.db2.gz RXSWKLLYKNNNNE-FUHWJXTLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCC(C)C)C2 ZINC001570271968 961946265 /nfs/dbraw/zinc/94/62/65/961946265.db2.gz RTCIWZFOCBJUMJ-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@@H](C)CCC)C2 ZINC001570271210 961946991 /nfs/dbraw/zinc/94/69/91/961946991.db2.gz DENTUORPHSVMIB-FUHWJXTLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](C[C@H](F)CC)CC1(C)C ZINC001570395577 961957339 /nfs/dbraw/zinc/95/73/39/961957339.db2.gz MCTKZVOEZVBBFC-KGLIPLIRSA-N 1 1 298.446 3.163 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)CC1(C)C ZINC001570398169 961961816 /nfs/dbraw/zinc/96/18/16/961961816.db2.gz WWNDZWQBLYCNSS-OAHLLOKOSA-N 1 1 292.467 3.215 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)CC(C)(C)C)C[C@@H]1C ZINC001570449692 961971611 /nfs/dbraw/zinc/97/16/11/961971611.db2.gz TVRCDUWEQGVPCT-GJZGRUSLSA-N 1 1 292.467 3.051 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccsc1 ZINC001570524695 961983808 /nfs/dbraw/zinc/98/38/08/961983808.db2.gz ZDRFXRLUCINEJN-ZDUSSCGKSA-N 1 1 298.839 3.037 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)c1ccsc1 ZINC001570524695 961983820 /nfs/dbraw/zinc/98/38/20/961983820.db2.gz ZDRFXRLUCINEJN-ZDUSSCGKSA-N 1 1 298.839 3.037 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC12CC2 ZINC001570534521 961990690 /nfs/dbraw/zinc/99/06/90/961990690.db2.gz KYHMQKKCNUZRNP-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C)C1CCCC1 ZINC001570544152 961996069 /nfs/dbraw/zinc/99/60/69/961996069.db2.gz RKGCEJGNDOVAID-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)C12CCC(CC1)C2(C)C ZINC001570742886 962073926 /nfs/dbraw/zinc/07/39/26/962073926.db2.gz YHRZVTNLSFTGTQ-KSTDHSDQSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](CC)SC ZINC001570820343 962097737 /nfs/dbraw/zinc/09/77/37/962097737.db2.gz NLOAFPJCVTXYSI-LSDHHAIUSA-N 1 1 298.496 3.065 20 30 CGEDMO C#CC[N@@H+]1C[C@H](NC(=O)C[C@H](C)CCCCC)C(C)(C)C1 ZINC001570905231 962110557 /nfs/dbraw/zinc/11/05/57/962110557.db2.gz PUHXFWQGQAKZPV-CVEARBPZSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC([N@@H+](C)CCC(=C)C)CC1 ZINC001571333478 962135552 /nfs/dbraw/zinc/13/55/52/962135552.db2.gz SNLGYRNMHGFTLD-INIZCTEOSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCCCC(=O)N[C@@]12CCC[C@@H]1[N@@H+](CC(=C)C)CC2 ZINC001571502550 962167218 /nfs/dbraw/zinc/16/72/18/962167218.db2.gz GHXFYRFAVQPKTA-DOTOQJQBSA-N 1 1 276.424 3.032 20 30 CGEDMO CCCCCCCCCNC(=O)[C@H]1[NH2+]CCc2occc21 ZINC001577430023 962541874 /nfs/dbraw/zinc/54/18/74/962541874.db2.gz JLAYKAXSRNIZDV-INIZCTEOSA-N 1 1 292.423 3.333 20 30 CGEDMO C=CCCCCCCC[NH2+]Cc1ccc(-c2nn[nH]n2)o1 ZINC001588594555 963283063 /nfs/dbraw/zinc/28/30/63/963283063.db2.gz WEZYDVDMLBJTNY-UHFFFAOYSA-N 1 1 289.383 3.076 20 30 CGEDMO C=CCCC[N@@H+](C)Cc1cc(OC)ncc1Br ZINC000621258588 349483346 /nfs/dbraw/zinc/48/33/46/349483346.db2.gz ROAUCBXPIWWYFO-UHFFFAOYSA-N 1 1 299.212 3.251 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cc(OC)ncc1Br ZINC000621258588 349483347 /nfs/dbraw/zinc/48/33/47/349483347.db2.gz ROAUCBXPIWWYFO-UHFFFAOYSA-N 1 1 299.212 3.251 20 30 CGEDMO C=CC[C@H]1[N@@H+](CCc2cncn2C)CCCC1(C)C ZINC000297812519 260135634 /nfs/dbraw/zinc/13/56/34/260135634.db2.gz YGLSXZKZLAQNEX-OAHLLOKOSA-N 1 1 261.413 3.029 20 30 CGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000590202716 346836692 /nfs/dbraw/zinc/83/66/92/346836692.db2.gz MJIHNCVSHPNJPM-BBRMVZONSA-N 1 1 297.402 3.007 20 30 CGEDMO CS[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000590749949 346871534 /nfs/dbraw/zinc/87/15/34/346871534.db2.gz GSAOYFIBZJGHLD-HNNXBMFYSA-N 1 1 274.433 3.425 20 30 CGEDMO CO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2C)C12CCC2 ZINC000590761956 346872503 /nfs/dbraw/zinc/87/25/03/346872503.db2.gz HCYODAIYBPYDMN-IAGOWNOFSA-N 1 1 284.403 3.256 20 30 CGEDMO CCO[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2C)C[C@@H]1C ZINC000590756880 346872779 /nfs/dbraw/zinc/87/27/79/346872779.db2.gz DLFHQFCWEWWNBX-WMLDXEAASA-N 1 1 272.392 3.114 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@H](C2CCC2)C1 ZINC000591063069 346898153 /nfs/dbraw/zinc/89/81/53/346898153.db2.gz IHALOHUWKJXATA-AWEZNQCLSA-N 1 1 285.347 3.088 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCCc2c(F)cc(F)cc21 ZINC000591374545 346918525 /nfs/dbraw/zinc/91/85/25/346918525.db2.gz XMNOXXJWVFXVNW-MEDUHNTESA-N 1 1 289.329 3.375 20 30 CGEDMO CC[N@@H+](CCOc1ccccc1C)Cc1ccnc(C#N)c1 ZINC000591477312 346926729 /nfs/dbraw/zinc/92/67/29/346926729.db2.gz FWPOVHVESPMHOZ-UHFFFAOYSA-N 1 1 295.386 3.163 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@H]2N[C@H](C[NH3+])C1CCCCC1 ZINC000591576965 346929248 /nfs/dbraw/zinc/92/92/48/346929248.db2.gz MNYAQTAVLGIYDZ-RTBURBONSA-N 1 1 297.446 3.433 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000591582573 346929719 /nfs/dbraw/zinc/92/97/19/346929719.db2.gz MCPQRVOZNAHFMV-AEFFLSMTSA-N 1 1 295.430 3.200 20 30 CGEDMO C=CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623521164 349826142 /nfs/dbraw/zinc/82/61/42/349826142.db2.gz MBDFSCUULQWJJV-INIZCTEOSA-N 1 1 288.435 3.214 20 30 CGEDMO N#Cc1cnccc1C[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000592064837 346959346 /nfs/dbraw/zinc/95/93/46/346959346.db2.gz VPNFSDRQWKWDIY-MRXNPFEDSA-N 1 1 255.365 3.108 20 30 CGEDMO CC[C@H](C)[C@H](C)[N@@H+](Cc1ccncc1C#N)C1CC1 ZINC000592067429 346959511 /nfs/dbraw/zinc/95/95/11/346959511.db2.gz PKGCSLXFKGRYDS-STQMWFEESA-N 1 1 257.381 3.352 20 30 CGEDMO N#Cc1cnccc1C[N@@H+](CCc1ccc(F)cc1)C1CC1 ZINC000592069753 346959621 /nfs/dbraw/zinc/95/96/21/346959621.db2.gz RWFPVLYGQFRSFV-UHFFFAOYSA-N 1 1 295.361 3.299 20 30 CGEDMO N#Cc1cnccc1C[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC000592069753 346959625 /nfs/dbraw/zinc/95/96/25/346959625.db2.gz RWFPVLYGQFRSFV-UHFFFAOYSA-N 1 1 295.361 3.299 20 30 CGEDMO CC(C)(C)C[C@@H]1CC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592125819 346965075 /nfs/dbraw/zinc/96/50/75/346965075.db2.gz KQRQXLCDSZDZNK-ZDUSSCGKSA-N 1 1 257.381 3.211 20 30 CGEDMO C[C@@H](Cc1cccc(F)c1)[N@H+](C)Cc1ccncc1C#N ZINC000592124964 346965245 /nfs/dbraw/zinc/96/52/45/346965245.db2.gz OOBUQBJECAGIAI-ZDUSSCGKSA-N 1 1 283.350 3.155 20 30 CGEDMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)Cc1ccncc1C#N ZINC000592124964 346965247 /nfs/dbraw/zinc/96/52/47/346965247.db2.gz OOBUQBJECAGIAI-ZDUSSCGKSA-N 1 1 283.350 3.155 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCCC[C@H]2C2CCC2)n1 ZINC000592197490 346971468 /nfs/dbraw/zinc/97/14/68/346971468.db2.gz DNJWDXRBODMQHL-ZDUSSCGKSA-N 1 1 261.394 3.169 20 30 CGEDMO C[N@@H+](CCCC#N)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000347466933 529879115 /nfs/dbraw/zinc/87/91/15/529879115.db2.gz DTKXIYRCKNBCDC-CVEARBPZSA-N 1 1 272.392 3.468 20 30 CGEDMO CC(C)[C@@H]1[N@@H+](C[C@@H](C#N)CCC#N)CC12CC=CC2 ZINC000592446644 346986866 /nfs/dbraw/zinc/98/68/66/346986866.db2.gz KZMUZKUXPAMQEI-CABCVRRESA-N 1 1 257.381 3.107 20 30 CGEDMO C[N@H+](CCc1ccccc1O)Cc1cccc(F)c1C#N ZINC000428342315 529934949 /nfs/dbraw/zinc/93/49/49/529934949.db2.gz AFVQOSXJRLEWHM-UHFFFAOYSA-N 1 1 284.334 3.077 20 30 CGEDMO C[N@@H+](CCc1ccccc1O)Cc1cccc(F)c1C#N ZINC000428342315 529934951 /nfs/dbraw/zinc/93/49/51/529934951.db2.gz AFVQOSXJRLEWHM-UHFFFAOYSA-N 1 1 284.334 3.077 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000593029211 347029522 /nfs/dbraw/zinc/02/95/22/347029522.db2.gz QQBGIEASDLDQCN-CQSZACIVSA-N 1 1 285.347 3.088 20 30 CGEDMO CC[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)[C@@H](C)CO1 ZINC000593063266 347034603 /nfs/dbraw/zinc/03/46/03/347034603.db2.gz SYHCDFHWUMKPAI-GJZGRUSLSA-N 1 1 264.413 3.350 20 30 CGEDMO N#Cc1cccc2c1C[N@H+]([C@@H]1C[C@@H]1c1ccccc1)C2 ZINC000593126725 347043144 /nfs/dbraw/zinc/04/31/44/347043144.db2.gz MUSDBHDUGSSGFO-SJLPKXTDSA-N 1 1 260.340 3.430 20 30 CGEDMO CN(c1cc(Cl)ccc1C#N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367736203 530034786 /nfs/dbraw/zinc/03/47/86/530034786.db2.gz CYHRCLAGMACXCO-YIONKMFJSA-N 1 1 289.810 3.273 20 30 CGEDMO Cc1c(C#N)c(NCC2=CC[N@@H+](C)CC2)nc2ccccc12 ZINC000295091049 199340857 /nfs/dbraw/zinc/34/08/57/199340857.db2.gz SFPIFVMIWSKWJN-UHFFFAOYSA-N 1 1 292.386 3.089 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000047959664 345057399 /nfs/dbraw/zinc/05/73/99/345057399.db2.gz WRLASQLJECFMRH-INIZCTEOSA-N 1 1 286.419 3.188 20 30 CGEDMO C[C@H](c1ccccc1Cl)N1CC[NH+](CCCC#N)CC1 ZINC000051538286 345091395 /nfs/dbraw/zinc/09/13/95/345091395.db2.gz GTASRXOASTZUTH-CQSZACIVSA-N 1 1 291.826 3.322 20 30 CGEDMO Cc1cc([C@H]2CCC[N@H+]2CCOc2ccc(C#N)cc2)on1 ZINC000052009745 345095855 /nfs/dbraw/zinc/09/58/55/345095855.db2.gz YBMXXBUPZWOFIF-MRXNPFEDSA-N 1 1 297.358 3.071 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCC(=O)NCc1ccccc1Cl ZINC000054424257 345135333 /nfs/dbraw/zinc/13/53/33/345135333.db2.gz YFVWWTDMLIIEAJ-UHFFFAOYSA-N 1 1 294.826 3.244 20 30 CGEDMO CC(C)CC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000058580638 345197052 /nfs/dbraw/zinc/19/70/52/345197052.db2.gz AWSQVHQFVYIPMV-UHFFFAOYSA-N 1 1 271.408 3.116 20 30 CGEDMO N#CCSCCC[N@H+]1CCC2(C1)CCCCC2 ZINC000074991550 345490021 /nfs/dbraw/zinc/49/00/21/345490021.db2.gz HLNHMRHQYDNJCP-UHFFFAOYSA-N 1 1 252.427 3.289 20 30 CGEDMO CC(C)[C@H]1CCC[N@@H+](Cc2ccnc(C#N)c2)CC1 ZINC000079342212 345637716 /nfs/dbraw/zinc/63/77/16/345637716.db2.gz DHMJMSSKOLEFQY-HNNXBMFYSA-N 1 1 257.381 3.211 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1cccc(O)c1 ZINC000080923993 345689184 /nfs/dbraw/zinc/68/91/84/345689184.db2.gz WFDUOLUSGUYNGF-ZDUSSCGKSA-N 1 1 266.344 3.457 20 30 CGEDMO C[C@H]1CCCC[C@H]1OCC[N@H+](CCC#N)CC1CC1 ZINC000081514733 345711173 /nfs/dbraw/zinc/71/11/73/345711173.db2.gz VNZCAGHTLWPSTF-GOEBONIOSA-N 1 1 264.413 3.207 20 30 CGEDMO C[C@H]1CCCC[C@H]1OCC[N@@H+](CCC#N)CC1CC1 ZINC000081514733 345711174 /nfs/dbraw/zinc/71/11/74/345711174.db2.gz VNZCAGHTLWPSTF-GOEBONIOSA-N 1 1 264.413 3.207 20 30 CGEDMO CCC[N@H+]1CC[C@@H](CNc2ccc3cc(C#N)ccc3n2)C1 ZINC000091457362 345814842 /nfs/dbraw/zinc/81/48/42/345814842.db2.gz CULKCCNQZZHXMS-HNNXBMFYSA-N 1 1 294.402 3.250 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+](C)CC(=O)Nc1ccccc1 ZINC000091507322 345817322 /nfs/dbraw/zinc/81/73/22/345817322.db2.gz FQIPKORVDNMENJ-AWEZNQCLSA-N 1 1 260.381 3.302 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H](c2nc(C)no2)C1 ZINC000091509337 345817707 /nfs/dbraw/zinc/81/77/07/345817707.db2.gz FSISOECTULKPNN-GXTWGEPZSA-N 1 1 263.385 3.302 20 30 CGEDMO C[N@@H+](CCc1cccc(Nc2ccc(C#N)cn2)c1)C1CC1 ZINC000091632349 345819915 /nfs/dbraw/zinc/81/99/15/345819915.db2.gz GMFKVNPKKGCYKI-UHFFFAOYSA-N 1 1 292.386 3.334 20 30 CGEDMO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000092331693 345836090 /nfs/dbraw/zinc/83/60/90/345836090.db2.gz YRYYOIQDWVJXGX-SECBINFHSA-N 1 1 273.311 3.153 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000093318748 345874706 /nfs/dbraw/zinc/87/47/06/345874706.db2.gz UMNBMCVOGNOVIZ-LBPRGKRZSA-N 1 1 286.297 3.130 20 30 CGEDMO COC1CCC([N@@H+](C)CC(C)(C)CCC#N)CC1 ZINC000093415227 345879013 /nfs/dbraw/zinc/87/90/13/345879013.db2.gz CTJVKUUTPGXIAM-UHFFFAOYSA-N 1 1 252.402 3.206 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)ccc1F ZINC000119412120 345993152 /nfs/dbraw/zinc/99/31/52/345993152.db2.gz HAIDVJDDJRUMIB-BBRMVZONSA-N 1 1 258.340 3.462 20 30 CGEDMO CC[N@@H+](Cc1ccoc1)Cc1ccc(OC)c(C#N)c1 ZINC000135027634 346085513 /nfs/dbraw/zinc/08/55/13/346085513.db2.gz AXZWGNNRGWUFLH-UHFFFAOYSA-N 1 1 270.332 3.182 20 30 CGEDMO C=CCn1cc(C[NH2+][C@H](CC)c2cc(C)ccc2C)nn1 ZINC000624003885 349942628 /nfs/dbraw/zinc/94/26/28/349942628.db2.gz NKBWUAPQPSJHMZ-QGZVFWFLSA-N 1 1 284.407 3.322 20 30 CGEDMO Cc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2C)o1 ZINC000165440878 346184248 /nfs/dbraw/zinc/18/42/48/346184248.db2.gz OKFFCLFKHHWHFC-UHFFFAOYSA-N 1 1 254.333 3.400 20 30 CGEDMO CC[C@@H](CSC)[N@@H+](C)Cc1ccc(C#N)cc1C ZINC000165504179 346184827 /nfs/dbraw/zinc/18/48/27/346184827.db2.gz VSEDHMSVCCTJLC-HNNXBMFYSA-N 1 1 262.422 3.440 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000246019124 346357716 /nfs/dbraw/zinc/35/77/16/346357716.db2.gz MZHVDFHSIPCPAT-DLBZAZTESA-N 1 1 259.393 3.459 20 30 CGEDMO CC[N@H+]1CCN(c2ccc(C(F)(F)F)cc2C#N)C[C@H]1C ZINC000250332795 346384992 /nfs/dbraw/zinc/38/49/92/346384992.db2.gz OTBVEEKKHQXHQL-LLVKDONJSA-N 1 1 297.324 3.107 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)c1 ZINC000311612111 346474060 /nfs/dbraw/zinc/47/40/60/346474060.db2.gz FKVNFBTZCAUWPY-LLVKDONJSA-N 1 1 272.245 3.082 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](C(F)(F)F)C2)c1 ZINC000311612111 346474062 /nfs/dbraw/zinc/47/40/62/346474062.db2.gz FKVNFBTZCAUWPY-LLVKDONJSA-N 1 1 272.245 3.082 20 30 CGEDMO Cc1cc(C#N)ccc1Cn1c[nH+]c2c1C[C@H](C)[C@@H](C)C2 ZINC000315676151 346484287 /nfs/dbraw/zinc/48/42/87/346484287.db2.gz ZMTXYFXTMPMLPL-STQMWFEESA-N 1 1 279.387 3.482 20 30 CGEDMO C[C@@]1(c2cccc(F)c2)CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000593644872 347098220 /nfs/dbraw/zinc/09/82/20/347098220.db2.gz OTYIVIIGPPYJJI-QGZVFWFLSA-N 1 1 284.334 3.454 20 30 CGEDMO Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CC1(C#N)CCCC1 ZINC000593652959 347099578 /nfs/dbraw/zinc/09/95/78/347099578.db2.gz SRCITDZSUBCFDX-UHFFFAOYSA-N 1 1 288.439 3.429 20 30 CGEDMO CC[C@@H]1C[N@H+](Cc2cc(C#N)cs2)[C@H](CC)CO1 ZINC000593662034 347102153 /nfs/dbraw/zinc/10/21/53/347102153.db2.gz XHVPFPKSSJFXAO-CHWSQXEVSA-N 1 1 264.394 3.009 20 30 CGEDMO CC[C@@H]1C[N@@H+](Cc2cc(C#N)cs2)[C@H](CC)CO1 ZINC000593662034 347102156 /nfs/dbraw/zinc/10/21/56/347102156.db2.gz XHVPFPKSSJFXAO-CHWSQXEVSA-N 1 1 264.394 3.009 20 30 CGEDMO CC[C@H]1C[N@@H+](Cc2ccc(CC#N)cc2)[C@@H](CC)CO1 ZINC000403960789 346598194 /nfs/dbraw/zinc/59/81/94/346598194.db2.gz NJZHBCLJDORFOP-IRXDYDNUSA-N 1 1 272.392 3.142 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](OC(C)C)C1 ZINC000404728957 346600960 /nfs/dbraw/zinc/60/09/60/346600960.db2.gz YQFSOEIHXIREEO-QGZVFWFLSA-N 1 1 272.392 3.256 20 30 CGEDMO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NCC1(C#N)CCCC1 ZINC000405153527 346602507 /nfs/dbraw/zinc/60/25/07/346602507.db2.gz QIHWLOZNYHZVDC-WMZOPIPTSA-N 1 1 297.446 3.180 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCC1(C#N)CCCC1 ZINC000405153527 346602513 /nfs/dbraw/zinc/60/25/13/346602513.db2.gz QIHWLOZNYHZVDC-WMZOPIPTSA-N 1 1 297.446 3.180 20 30 CGEDMO C#C[C@H]([NH2+]Cc1cccc(OC)c1)c1ccc(F)cc1 ZINC000491513316 346628720 /nfs/dbraw/zinc/62/87/20/346628720.db2.gz BPGJHURLFZBLAJ-KRWDZBQOSA-N 1 1 269.319 3.298 20 30 CGEDMO Cc1ccc([C@@H]2C[C@@H](C)[N@H+](C[C@H](O)CC3(C#N)CC3)C2)cc1 ZINC000528486638 346642850 /nfs/dbraw/zinc/64/28/50/346642850.db2.gz PNYNFQARMAGMNO-KBAYOESNSA-N 1 1 298.430 3.228 20 30 CGEDMO C=CC[C@H](C)NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000584788303 346715059 /nfs/dbraw/zinc/71/50/59/346715059.db2.gz LDNRRVQQIWNWBZ-FZMZJTMJSA-N 1 1 280.799 3.024 20 30 CGEDMO CC(C)(C)C1=CC[N@@H+](CCNc2ncccc2C#N)CC1 ZINC000589101266 346782441 /nfs/dbraw/zinc/78/24/41/346782441.db2.gz LYZUKWNTBKOQRA-UHFFFAOYSA-N 1 1 284.407 3.043 20 30 CGEDMO COC[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000589501444 346799076 /nfs/dbraw/zinc/79/90/76/346799076.db2.gz PJVMHWHHKCURBC-CYBMUJFWSA-N 1 1 298.308 3.188 20 30 CGEDMO Cc1ccc(-c2noc([C@@H]([NH3+])CCCCC#N)n2)cc1F ZINC000593942272 347121021 /nfs/dbraw/zinc/12/10/21/347121021.db2.gz FULFUZIINTTYDK-ZDUSSCGKSA-N 1 1 288.326 3.268 20 30 CGEDMO Cc1ccc(-c2noc([C@H]([NH3+])CCCCC#N)n2)cc1 ZINC000593944586 347121821 /nfs/dbraw/zinc/12/18/21/347121821.db2.gz XDZBDPVUORQANC-CYBMUJFWSA-N 1 1 270.336 3.129 20 30 CGEDMO C[C@@]1(c2cccc(F)c2)CC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000594016068 347137578 /nfs/dbraw/zinc/13/75/78/347137578.db2.gz SHGHCCIKSZFXMD-GOSISDBHSA-N 1 1 295.361 3.256 20 30 CGEDMO Cc1cc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)on1 ZINC000594032708 347140894 /nfs/dbraw/zinc/14/08/94/347140894.db2.gz LVSJTSOSJFNRCK-UHFFFAOYSA-N 1 1 267.332 3.024 20 30 CGEDMO CCOC(=O)CC[N@@H+](Cc1ccc(C#N)cc1C)C(C)C ZINC000594052590 347145638 /nfs/dbraw/zinc/14/56/38/347145638.db2.gz ILVNWEHLVVPCMR-UHFFFAOYSA-N 1 1 288.391 3.030 20 30 CGEDMO N#CCCCCC(=O)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000593963941 347124605 /nfs/dbraw/zinc/12/46/05/347124605.db2.gz ATMFCJBJHXNOCC-MRXNPFEDSA-N 1 1 297.402 3.082 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@H]2CCCn3ccnc32)cc1Cl ZINC000594505020 347181037 /nfs/dbraw/zinc/18/10/37/347181037.db2.gz YHUKDRFUIKKHTG-AWEZNQCLSA-N 1 1 286.766 3.033 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000594995461 347251825 /nfs/dbraw/zinc/25/18/25/347251825.db2.gz QZJRXBREHYBTPL-UHFFFAOYSA-N 1 1 273.336 3.158 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000595327580 347292328 /nfs/dbraw/zinc/29/23/28/347292328.db2.gz PXODWQWLBXASAE-DLBZAZTESA-N 1 1 254.377 3.365 20 30 CGEDMO CO[C@H](C[N@@H+](CCC#N)CC(C)(C)C)C1CCCC1 ZINC000595328730 347293274 /nfs/dbraw/zinc/29/32/74/347293274.db2.gz LGCRDAUSNIOVRM-OAHLLOKOSA-N 1 1 266.429 3.453 20 30 CGEDMO N#Cc1ccc(CC[N@@H+]2CC=C(C(F)(F)F)CC2)cc1 ZINC000595394037 347298666 /nfs/dbraw/zinc/29/86/66/347298666.db2.gz UYYHAQMUWOJBBB-UHFFFAOYSA-N 1 1 280.293 3.295 20 30 CGEDMO C[C@@H](N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(C#N)cc1 ZINC000595056853 347272861 /nfs/dbraw/zinc/27/28/61/347272861.db2.gz RNSZJTRJSJCTSO-CJNGLKHVSA-N 1 1 271.408 3.082 20 30 CGEDMO C[C@@H](N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(C#N)cc1 ZINC000595056853 347272864 /nfs/dbraw/zinc/27/28/64/347272864.db2.gz RNSZJTRJSJCTSO-CJNGLKHVSA-N 1 1 271.408 3.082 20 30 CGEDMO C[C@H](C[NH+]1CCC(C)CC1)N[C@H](C)c1ccc(C#N)cc1 ZINC000595090774 347280397 /nfs/dbraw/zinc/28/03/97/347280397.db2.gz QXYKHBKISQYMMM-HZPDHXFCSA-N 1 1 285.435 3.329 20 30 CGEDMO CC[C@@H](C)[N@@H+](CC)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000595593671 347322893 /nfs/dbraw/zinc/32/28/93/347322893.db2.gz SKUBHPGBYBZEHK-LLVKDONJSA-N 1 1 293.798 3.271 20 30 CGEDMO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)OC(C)(C)C ZINC000595603547 347324829 /nfs/dbraw/zinc/32/48/29/347324829.db2.gz OGFGKZSSIUJBLX-QWHCGFSZSA-N 1 1 253.386 3.053 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000595611001 347326150 /nfs/dbraw/zinc/32/61/50/347326150.db2.gz FWWSHYPJQNNYTI-NSHDSACASA-N 1 1 292.766 3.194 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000595611001 347326151 /nfs/dbraw/zinc/32/61/51/347326151.db2.gz FWWSHYPJQNNYTI-NSHDSACASA-N 1 1 292.766 3.194 20 30 CGEDMO CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595609934 347326275 /nfs/dbraw/zinc/32/62/75/347326275.db2.gz QMJCGHFQPVUSIC-GDBMZVCRSA-N 1 1 299.418 3.202 20 30 CGEDMO CCc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595609934 347326277 /nfs/dbraw/zinc/32/62/77/347326277.db2.gz QMJCGHFQPVUSIC-GDBMZVCRSA-N 1 1 299.418 3.202 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](CCc2ccc(F)c(F)c2)C1 ZINC000595614898 347327152 /nfs/dbraw/zinc/32/71/52/347327152.db2.gz JHACQRDVIBDMEN-ZDUSSCGKSA-N 1 1 264.319 3.133 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000595657762 347334342 /nfs/dbraw/zinc/33/43/42/347334342.db2.gz BWOITDQPUSNUSA-CYBMUJFWSA-N 1 1 258.340 3.485 20 30 CGEDMO CC(C)(C#N)CCCC[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000595690943 347338039 /nfs/dbraw/zinc/33/80/39/347338039.db2.gz WQCSPSWXAXBGNH-IYBDPMFKSA-N 1 1 264.413 3.065 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)[C@H]1CCO ZINC000595703527 347343530 /nfs/dbraw/zinc/34/35/30/347343530.db2.gz TWLUUKBZYHNNSA-LRDDRELGSA-N 1 1 292.810 3.195 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@H](C(=O)OC)[C@H]2CCCC[C@@H]21 ZINC000595729756 347347549 /nfs/dbraw/zinc/34/75/49/347347549.db2.gz FSRKPYXAMIHKAK-ILXRZTDVSA-N 1 1 265.397 3.006 20 30 CGEDMO N#Cc1ccc(OCC[N@@H+]2CCC[C@H](CCF)C2)cc1 ZINC000595756360 347352035 /nfs/dbraw/zinc/35/20/35/347352035.db2.gz UJMRRIHNZASFFG-OAHLLOKOSA-N 1 1 276.355 3.009 20 30 CGEDMO C=CC[N@H+](Cc1csc(C(=O)OC)c1)C(C)(C)C ZINC000595765076 347352422 /nfs/dbraw/zinc/35/24/22/347352422.db2.gz GVMLECXJIQJHSK-UHFFFAOYSA-N 1 1 267.394 3.321 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c1 ZINC000595788031 347355773 /nfs/dbraw/zinc/35/57/73/347355773.db2.gz MFLLKVWAXPMAFC-ZWKOTPCHSA-N 1 1 284.403 3.339 20 30 CGEDMO Cc1noc([C@H]2CCCC[N@H+]2CCc2ccc(C#N)cc2)n1 ZINC000595482685 347310264 /nfs/dbraw/zinc/31/02/64/347310264.db2.gz IKZQXNFBSSRCMA-MRXNPFEDSA-N 1 1 296.374 3.019 20 30 CGEDMO CO[C@@H](C[N@@H+](C)CC(C)(C)C#N)C1CCCCC1 ZINC000595502306 347312410 /nfs/dbraw/zinc/31/24/10/347312410.db2.gz RYTGKUFRTKSDPO-AWEZNQCLSA-N 1 1 252.402 3.063 20 30 CGEDMO C[C@H]1COC2(CCCC2)C[N@H+]1Cc1ccc(CC#N)cc1 ZINC000595806771 347357498 /nfs/dbraw/zinc/35/74/98/347357498.db2.gz GDMLMBBOYKTGAK-HNNXBMFYSA-N 1 1 284.403 3.286 20 30 CGEDMO CC[N@H+]1CCCN(CCC2(C#N)CCCCC2)[C@H](C)C1 ZINC000595536932 347316775 /nfs/dbraw/zinc/31/67/75/347316775.db2.gz XWEZCVYBPWWBQH-MRXNPFEDSA-N 1 1 277.456 3.267 20 30 CGEDMO CCN1CCC[N@H+](CCC2(C#N)CCCCC2)[C@H](C)C1 ZINC000595536932 347316777 /nfs/dbraw/zinc/31/67/77/347316777.db2.gz XWEZCVYBPWWBQH-MRXNPFEDSA-N 1 1 277.456 3.267 20 30 CGEDMO CCN1CCC[N@@H+](CCC2(C#N)CCCCC2)[C@H](C)C1 ZINC000595536932 347316779 /nfs/dbraw/zinc/31/67/79/347316779.db2.gz XWEZCVYBPWWBQH-MRXNPFEDSA-N 1 1 277.456 3.267 20 30 CGEDMO COC(=O)C1([N@@H+](CCCCC(C)(C)C#N)C2CC2)CCC1 ZINC000595541783 347317519 /nfs/dbraw/zinc/31/75/19/347317519.db2.gz JAUSZWZGAGJUBE-UHFFFAOYSA-N 1 1 292.423 3.267 20 30 CGEDMO CO[C@@H](C[N@@H+]1CC[C@](C)(C#N)C1)c1ccc(Cl)cc1 ZINC000595845151 347367112 /nfs/dbraw/zinc/36/71/12/347367112.db2.gz YWVLQZMSOHUWIO-LSDHHAIUSA-N 1 1 278.783 3.263 20 30 CGEDMO CO[C@@H](C[N@H+]1CC[C@](C)(C#N)C1)c1ccc(Cl)cc1 ZINC000595845151 347367115 /nfs/dbraw/zinc/36/71/15/347367115.db2.gz YWVLQZMSOHUWIO-LSDHHAIUSA-N 1 1 278.783 3.263 20 30 CGEDMO N#Cc1ccc(C[N@@H+](CCC2CC2)CC2CC2)c([N+](=O)[O-])c1 ZINC000595871841 347368932 /nfs/dbraw/zinc/36/89/32/347368932.db2.gz RQPKBVCTHCKAGI-UHFFFAOYSA-N 1 1 299.374 3.479 20 30 CGEDMO CCC[N@@H+](C)CC(C)(C)NCc1ccc(C#N)cc1C ZINC000595870393 347369438 /nfs/dbraw/zinc/36/94/38/347369438.db2.gz BIDYSXOGYNHIQF-UHFFFAOYSA-N 1 1 273.424 3.077 20 30 CGEDMO CCCN(C)CC(C)(C)[NH2+]Cc1ccc(C#N)cc1C ZINC000595870393 347369440 /nfs/dbraw/zinc/36/94/40/347369440.db2.gz BIDYSXOGYNHIQF-UHFFFAOYSA-N 1 1 273.424 3.077 20 30 CGEDMO CC[N@@H+](CCCCC#N)CCOc1ccccc1OC ZINC000595879586 347369939 /nfs/dbraw/zinc/36/99/39/347369939.db2.gz UDIIRBQTOQUXST-UHFFFAOYSA-N 1 1 276.380 3.090 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC000595921715 347372660 /nfs/dbraw/zinc/37/26/60/347372660.db2.gz WLGKCJMNWQWWCG-GFCCVEGCSA-N 1 1 294.420 3.075 20 30 CGEDMO C[C@@H](NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cccc(C#N)c1 ZINC000596095910 347382554 /nfs/dbraw/zinc/38/25/54/347382554.db2.gz RBLSBUDVSVCQQM-QAPCUYQASA-N 1 1 297.446 3.331 20 30 CGEDMO C[C@@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(C#N)c1 ZINC000596095910 347382557 /nfs/dbraw/zinc/38/25/57/347382557.db2.gz RBLSBUDVSVCQQM-QAPCUYQASA-N 1 1 297.446 3.331 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC000597175106 347544138 /nfs/dbraw/zinc/54/41/38/347544138.db2.gz WQLXCAWCIIZVFZ-CYBMUJFWSA-N 1 1 253.349 3.294 20 30 CGEDMO CCO[C@@H]1CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000596983746 347524615 /nfs/dbraw/zinc/52/46/15/347524615.db2.gz ISCUTHDQDLRGNT-QGZVFWFLSA-N 1 1 284.403 3.243 20 30 CGEDMO C[C@H]1[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CCOC1(C)C ZINC000597007727 347526353 /nfs/dbraw/zinc/52/63/53/347526353.db2.gz GTMVBRZNKYPGIQ-CQSZACIVSA-N 1 1 284.403 3.241 20 30 CGEDMO C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)C[C@H]1CCCOC1 ZINC000597003158 347526409 /nfs/dbraw/zinc/52/64/09/347526409.db2.gz MGORHMWYUHHPHF-MRXNPFEDSA-N 1 1 284.403 3.100 20 30 CGEDMO CC[C@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@H](C)O1 ZINC000596999598 347526504 /nfs/dbraw/zinc/52/65/04/347526504.db2.gz DNQKTOPDSGAAOJ-YOEHRIQHSA-N 1 1 284.403 3.241 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000597178005 347545170 /nfs/dbraw/zinc/54/51/70/347545170.db2.gz TVNZFGZCYZDOOJ-GFCCVEGCSA-N 1 1 275.421 3.148 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2nc3c(s2)CCCC3)C1 ZINC000597178005 347545172 /nfs/dbraw/zinc/54/51/72/347545172.db2.gz TVNZFGZCYZDOOJ-GFCCVEGCSA-N 1 1 275.421 3.148 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@@H]4COCC[C@@H]43)cc2)CC1 ZINC000597025739 347528897 /nfs/dbraw/zinc/52/88/97/347528897.db2.gz CFYPEBSCFUBUJJ-AEFFLSMTSA-N 1 1 296.414 3.243 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000597177567 347545298 /nfs/dbraw/zinc/54/52/98/347545298.db2.gz PILVCLRJUXXOCZ-BHYGNILZSA-N 1 1 254.377 3.416 20 30 CGEDMO CO[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CC[C@H]1C ZINC000597110711 347535551 /nfs/dbraw/zinc/53/55/51/347535551.db2.gz KIYUHUVBXLOLDD-RHSMWYFYSA-N 1 1 284.403 3.099 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)[C@H](C)[C@@H](C)O1 ZINC000597111518 347536782 /nfs/dbraw/zinc/53/67/82/347536782.db2.gz PYFKISFIZIIJJY-RBSFLKMASA-N 1 1 284.403 3.239 20 30 CGEDMO CCOC1CC([N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597129795 347538355 /nfs/dbraw/zinc/53/83/55/347538355.db2.gz FRPSZVOZBVQHGS-UHFFFAOYSA-N 1 1 284.403 3.241 20 30 CGEDMO CCO[C@@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@@H]1C ZINC000597138305 347539990 /nfs/dbraw/zinc/53/99/90/347539990.db2.gz PKZZGANCSRZYCA-MAUKXSAKSA-N 1 1 298.430 3.489 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@H]1C ZINC000597138210 347540186 /nfs/dbraw/zinc/54/01/86/347540186.db2.gz MYIUMIHMPOQTFD-PBHICJAKSA-N 1 1 284.403 3.099 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000597173157 347543424 /nfs/dbraw/zinc/54/34/24/347543424.db2.gz GOZNLMANJPDESQ-CQSZACIVSA-N 1 1 268.360 3.088 20 30 CGEDMO COc1ccccc1/C=C\C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000597173646 347543573 /nfs/dbraw/zinc/54/35/73/347543573.db2.gz LMQTXWHNFFCRHU-KKTNHOPESA-N 1 1 270.376 3.334 20 30 CGEDMO COc1c(C)cc(C[N@@H+]2CC[C@@](C)(C#N)C2)cc1C ZINC000597229559 347558393 /nfs/dbraw/zinc/55/83/93/347558393.db2.gz MKFBGKCBPXEXHB-INIZCTEOSA-N 1 1 258.365 3.048 20 30 CGEDMO COc1c(C)cc(C[N@H+]2CC[C@@](C)(C#N)C2)cc1C ZINC000597229559 347558397 /nfs/dbraw/zinc/55/83/97/347558397.db2.gz MKFBGKCBPXEXHB-INIZCTEOSA-N 1 1 258.365 3.048 20 30 CGEDMO Cc1oc2ccccc2c1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597231895 347560212 /nfs/dbraw/zinc/56/02/12/347560212.db2.gz PRFGSXOKZPSSRR-MRXNPFEDSA-N 1 1 254.333 3.477 20 30 CGEDMO Cc1oc2ccccc2c1C[N@H+]1CC[C@](C)(C#N)C1 ZINC000597231895 347560215 /nfs/dbraw/zinc/56/02/15/347560215.db2.gz PRFGSXOKZPSSRR-MRXNPFEDSA-N 1 1 254.333 3.477 20 30 CGEDMO CCC[N@H+](Cc1ccccc1)C[C@@H](O)CC(C)(C)C#N ZINC000598584690 347666014 /nfs/dbraw/zinc/66/60/14/347666014.db2.gz RZAJCJAAWRREKH-INIZCTEOSA-N 1 1 274.408 3.199 20 30 CGEDMO Cc1ccccc1[C@H]1CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598589609 347667646 /nfs/dbraw/zinc/66/76/46/347667646.db2.gz HBCFCTREWNEVAX-HOTGVXAUSA-N 1 1 286.419 3.085 20 30 CGEDMO C=CC[N@H+](C[C@@H](O)CC(C)(C)C#N)CC1CCCCC1 ZINC000598587451 347667774 /nfs/dbraw/zinc/66/77/74/347667774.db2.gz ALAFENCKWWHONG-INIZCTEOSA-N 1 1 278.440 3.355 20 30 CGEDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598592445 347667823 /nfs/dbraw/zinc/66/78/23/347667823.db2.gz ISDIREUEFFAOEO-PVAVHDDUSA-N 1 1 286.419 3.165 20 30 CGEDMO CCC(CC)[N@@H+](CC(C)C)C[C@@H](O)CC(C)(C)C#N ZINC000598595040 347668484 /nfs/dbraw/zinc/66/84/84/347668484.db2.gz LWJPWWSLIMSNOW-HNNXBMFYSA-N 1 1 268.445 3.434 20 30 CGEDMO CCC(CC)CCC[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598629117 347673030 /nfs/dbraw/zinc/67/30/30/347673030.db2.gz XKOQOFYEUDXCJI-HNNXBMFYSA-N 1 1 268.445 3.435 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCCC[C@@H]1CC1CCC1 ZINC000598627544 347673238 /nfs/dbraw/zinc/67/32/38/347673238.db2.gz HMUHBPBSAJMBIG-CVEARBPZSA-N 1 1 278.440 3.332 20 30 CGEDMO Cc1ccc(C[N@H+]2CCc3c(CC#N)cccc3C2)c(C)n1 ZINC000599676908 347763903 /nfs/dbraw/zinc/76/39/03/347763903.db2.gz CRIDBWBVALQTIS-UHFFFAOYSA-N 1 1 291.398 3.323 20 30 CGEDMO N#CCc1cccc2c1CC[N@@H+](C[C@@H]1C[C@H]3C[C@H]3C1)C2 ZINC000599678956 347764966 /nfs/dbraw/zinc/76/49/66/347764966.db2.gz UMTGMADNOWDVGO-AYGBPOKTSA-N 1 1 266.388 3.157 20 30 CGEDMO COc1ccc([C@H]2CC[N@H+]([C@@H](C)CCC#N)C2)cc1F ZINC000599680151 347765085 /nfs/dbraw/zinc/76/50/85/347765085.db2.gz RXOARYVCYQVHDQ-JSGCOSHPSA-N 1 1 276.355 3.316 20 30 CGEDMO COc1ccc([C@@H]2CC[N@@H+](CCCCC#N)C2)cc1F ZINC000599678012 347765345 /nfs/dbraw/zinc/76/53/45/347765345.db2.gz HLVIADUQVOUWAH-CQSZACIVSA-N 1 1 276.355 3.317 20 30 CGEDMO CC(C)n1nccc1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679415 347765466 /nfs/dbraw/zinc/76/54/66/347765466.db2.gz ZUEUUEFSDAOZJR-UHFFFAOYSA-N 1 1 294.402 3.088 20 30 CGEDMO CC(C)n1nccc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679415 347765470 /nfs/dbraw/zinc/76/54/70/347765470.db2.gz ZUEUUEFSDAOZJR-UHFFFAOYSA-N 1 1 294.402 3.088 20 30 CGEDMO C=CC[N@H+](CCCCC(=O)OC)Cc1cccs1 ZINC000599251699 347729094 /nfs/dbraw/zinc/72/90/94/347729094.db2.gz JSQFTODVFHWCLW-UHFFFAOYSA-N 1 1 267.394 3.079 20 30 CGEDMO Cc1ccc(C[N@@H+](C)CCOC(C)(C)C)cc1C#N ZINC000599317600 347735508 /nfs/dbraw/zinc/73/55/08/347735508.db2.gz CYLZDJHUQHKEKJ-UHFFFAOYSA-N 1 1 260.381 3.114 20 30 CGEDMO Cc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)cc1C#N ZINC000599436373 347745656 /nfs/dbraw/zinc/74/56/56/347745656.db2.gz JOMUTICMDNTEKZ-OALUTQOASA-N 1 1 292.382 3.175 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H](C)C1(F)F ZINC000599513090 347748915 /nfs/dbraw/zinc/74/89/15/347748915.db2.gz QSESRQKWAJLACP-PHIMTYICSA-N 1 1 282.309 3.420 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H](C)C1(F)F ZINC000599513090 347748917 /nfs/dbraw/zinc/74/89/17/347748917.db2.gz QSESRQKWAJLACP-PHIMTYICSA-N 1 1 282.309 3.420 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1C#N ZINC000599553451 347754380 /nfs/dbraw/zinc/75/43/80/347754380.db2.gz VDXUOWWRPOYCFJ-CVEARBPZSA-N 1 1 272.417 3.337 20 30 CGEDMO C[C@@H](C[N@@H+](C)CCOCCC#N)C1CCCCC1 ZINC000599632868 347760518 /nfs/dbraw/zinc/76/05/18/347760518.db2.gz HYTLPDCOEYAOES-AWEZNQCLSA-N 1 1 252.402 3.065 20 30 CGEDMO C[C@H](C[N@@H+](C)C[C@@H](O)CC(C)(C)C#N)C1CCCCC1 ZINC000599633339 347760524 /nfs/dbraw/zinc/76/05/24/347760524.db2.gz QTVDTQRLQZBQTB-ZBFHGGJFSA-N 1 1 280.456 3.435 20 30 CGEDMO N#Cc1ccc(C[NH+]2CC(Cc3cccs3)C2)s1 ZINC000600214599 347794924 /nfs/dbraw/zinc/79/49/24/347794924.db2.gz BZQUAZLYJULXOE-UHFFFAOYSA-N 1 1 274.414 3.356 20 30 CGEDMO C[N@H+](Cc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CCC[C@@H]1C#N ZINC000600860597 347841664 /nfs/dbraw/zinc/84/16/64/347841664.db2.gz XYIBLRIRMFASTQ-VXGBXAGGSA-N 1 1 294.301 3.132 20 30 CGEDMO C[N@@H+](Cc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CCC[C@@H]1C#N ZINC000600860597 347841666 /nfs/dbraw/zinc/84/16/66/347841666.db2.gz XYIBLRIRMFASTQ-VXGBXAGGSA-N 1 1 294.301 3.132 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CC[C@]1(C)C1CCCCC1 ZINC000601961192 347929979 /nfs/dbraw/zinc/92/99/79/347929979.db2.gz BGBLYCZMEHYYFL-NVXWUHKLSA-N 1 1 278.440 3.332 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H]2c2ccsc2)n1 ZINC000602439828 347957792 /nfs/dbraw/zinc/95/77/92/347957792.db2.gz LJIIRXGQCLLGDI-HNNXBMFYSA-N 1 1 269.373 3.352 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]2c2ccsc2)n1 ZINC000602439828 347957794 /nfs/dbraw/zinc/95/77/94/347957794.db2.gz LJIIRXGQCLLGDI-HNNXBMFYSA-N 1 1 269.373 3.352 20 30 CGEDMO CC[N@@H+](Cc1ccc(=O)[nH]c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000602444797 347959389 /nfs/dbraw/zinc/95/93/89/347959389.db2.gz QEDMOFFAGVMNNA-ZDUSSCGKSA-N 1 1 281.359 3.242 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@H](Cc3ccccc3)C2)n1 ZINC000602441977 347959448 /nfs/dbraw/zinc/95/94/48/347959448.db2.gz HKUDEUFYKJILDD-MRXNPFEDSA-N 1 1 277.371 3.018 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000602447751 347960239 /nfs/dbraw/zinc/96/02/39/347960239.db2.gz FXIVGTZKBMFLTR-RHSMWYFYSA-N 1 1 272.392 3.172 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000602468169 347962686 /nfs/dbraw/zinc/96/26/86/347962686.db2.gz JWTMXVDVZKJLLR-YJBOKZPZSA-N 1 1 286.419 3.298 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCN(Cc2ccccc2)C[C@H]1C ZINC000602468775 347963736 /nfs/dbraw/zinc/96/37/36/347963736.db2.gz RRNKVHXSPFZWBF-DLBZAZTESA-N 1 1 285.435 3.133 20 30 CGEDMO CC(C)[N@H+](CCc1nccs1)C[C@@H](C)CCC#N ZINC000602479488 347966154 /nfs/dbraw/zinc/96/61/54/347966154.db2.gz MMCMIDWLWUQYMR-ZDUSSCGKSA-N 1 1 265.426 3.336 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000602480162 347966163 /nfs/dbraw/zinc/96/61/63/347966163.db2.gz UNYZRWMDDMOEBJ-TZMCWYRMSA-N 1 1 264.394 3.061 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000602480162 347966167 /nfs/dbraw/zinc/96/61/67/347966167.db2.gz UNYZRWMDDMOEBJ-TZMCWYRMSA-N 1 1 264.394 3.061 20 30 CGEDMO CCO[C@@H]1C[C@H]([N@@H+](C)C[C@@H](C)CCC#N)C12CCC2 ZINC000602482392 347966886 /nfs/dbraw/zinc/96/68/86/347966886.db2.gz GBVSETUIMIMKMX-SOUVJXGZSA-N 1 1 264.413 3.206 20 30 CGEDMO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1cccc(C#N)n1 ZINC000602596169 347990893 /nfs/dbraw/zinc/99/08/93/347990893.db2.gz ILYGMECZBWFLJW-WDEREUQCSA-N 1 1 283.297 3.116 20 30 CGEDMO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1cccc(C#N)n1 ZINC000602596169 347990896 /nfs/dbraw/zinc/99/08/96/347990896.db2.gz ILYGMECZBWFLJW-WDEREUQCSA-N 1 1 283.297 3.116 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)C[C@H](C)c1nccs1 ZINC000602606105 347991660 /nfs/dbraw/zinc/99/16/60/347991660.db2.gz ACJYJINAEUZSNX-NEPJUHHUSA-N 1 1 251.399 3.118 20 30 CGEDMO C[C@H](C#N)C[NH2+]Cc1ccc(CC(F)(F)F)cc1 ZINC000602606566 347992159 /nfs/dbraw/zinc/99/21/59/347992159.db2.gz AVZGOJOPRMVDRE-SNVBAGLBSA-N 1 1 256.271 3.041 20 30 CGEDMO CC[C@H]1Cc2ccccc2C[N@H+]1Cc1cccc(C#N)n1 ZINC000602612837 347993830 /nfs/dbraw/zinc/99/38/30/347993830.db2.gz UPCJABLVBGMTBQ-SFHVURJKSA-N 1 1 277.371 3.290 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000602613808 347994776 /nfs/dbraw/zinc/99/47/76/347994776.db2.gz QDASERNQJOYSQW-ZBFHGGJFSA-N 1 1 264.413 3.207 20 30 CGEDMO C[C@H]1c2ccccc2OCC[N@@H+]1CC1(CC#N)CC1 ZINC000602785658 348028176 /nfs/dbraw/zinc/02/81/76/348028176.db2.gz ANAYGLSLNUSWTL-ZDUSSCGKSA-N 1 1 256.349 3.136 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)Cc1nc(-c2cccs2)no1 ZINC000602651582 348001087 /nfs/dbraw/zinc/00/10/87/348001087.db2.gz SUDYZPMZRXPJEN-LLVKDONJSA-N 1 1 290.392 3.170 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000602665325 348004214 /nfs/dbraw/zinc/00/42/14/348004214.db2.gz HESDGQFYZVHLQI-BZUAXINKSA-N 1 1 264.413 3.065 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000602680999 348008144 /nfs/dbraw/zinc/00/81/44/348008144.db2.gz HCKSUQMCXSNYAP-UONOGXRCSA-N 1 1 252.427 3.145 20 30 CGEDMO CC(C)(C)C[C@@H]1CC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602687445 348009732 /nfs/dbraw/zinc/00/97/32/348009732.db2.gz WIYVCTSBVSOGJQ-ZDUSSCGKSA-N 1 1 257.381 3.211 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCCC[C@@H]2C2CCC2)n1 ZINC000602703635 348012597 /nfs/dbraw/zinc/01/25/97/348012597.db2.gz RQDQVKFPYGZOJZ-MRXNPFEDSA-N 1 1 255.365 3.108 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccc(C(F)F)nc2)C1 ZINC000602707511 348014444 /nfs/dbraw/zinc/01/44/44/348014444.db2.gz NFJRTBXFESZBNV-NSHDSACASA-N 1 1 265.307 3.145 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](CC(=O)OC(C)(C)C)C1CCC1 ZINC000602711339 348015876 /nfs/dbraw/zinc/01/58/76/348015876.db2.gz OEYMXGOMKVWNLH-ZDUSSCGKSA-N 1 1 280.412 3.122 20 30 CGEDMO C[C@@H](CCC#N)C[NH2+]CC(F)(F)c1ccc(F)cc1 ZINC000602716775 348016508 /nfs/dbraw/zinc/01/65/08/348016508.db2.gz DGJWCQBJGJOMFT-NSHDSACASA-N 1 1 270.298 3.447 20 30 CGEDMO N#CCC1(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)CC1 ZINC000602764215 348025710 /nfs/dbraw/zinc/02/57/10/348025710.db2.gz NKWDGXPLZSPXJJ-KRWDZBQOSA-N 1 1 284.403 3.361 20 30 CGEDMO N#CCC1(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)CC1 ZINC000602775082 348026531 /nfs/dbraw/zinc/02/65/31/348026531.db2.gz FZFCYMZKFZQKBT-CYBMUJFWSA-N 1 1 258.340 3.309 20 30 CGEDMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CC1(CC#N)CC1 ZINC000602772805 348026649 /nfs/dbraw/zinc/02/66/49/348026649.db2.gz KPTNYFMWZXJDTJ-GDBMZVCRSA-N 1 1 270.376 3.142 20 30 CGEDMO C[C@@H]1CO[C@@H](c2ccccc2)C[N@H+]1CC1(CC#N)CC1 ZINC000602772805 348026651 /nfs/dbraw/zinc/02/66/51/348026651.db2.gz KPTNYFMWZXJDTJ-GDBMZVCRSA-N 1 1 270.376 3.142 20 30 CGEDMO N#CCC1(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)CC1 ZINC000602844551 348036513 /nfs/dbraw/zinc/03/65/13/348036513.db2.gz CYMCADOTAQFQMX-LLVKDONJSA-N 1 1 260.303 3.345 20 30 CGEDMO C[C@@H]1C[N@@H+](CC2(CC#N)CC2)CCc2ccc(F)cc21 ZINC000602865944 348038077 /nfs/dbraw/zinc/03/80/77/348038077.db2.gz BSPDUVIRKZFJND-CYBMUJFWSA-N 1 1 272.367 3.481 20 30 CGEDMO C[C@]1(c2cccc(F)c2)CC[N@@H+](CC2(CC#N)CC2)C1 ZINC000602868032 348038174 /nfs/dbraw/zinc/03/81/74/348038174.db2.gz VCMLSUCHNIATBD-INIZCTEOSA-N 1 1 272.367 3.483 20 30 CGEDMO Cc1cc(C)c(C[N@H+]2CCC[C@H](CC#N)C2)c(C)n1 ZINC000602884585 348040731 /nfs/dbraw/zinc/04/07/31/348040731.db2.gz OOISBDMBSPSXBN-OAHLLOKOSA-N 1 1 257.381 3.133 20 30 CGEDMO CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CC1(CC#N)CC1 ZINC000602916968 348043305 /nfs/dbraw/zinc/04/33/05/348043305.db2.gz JMWLDTCCOHPJEQ-UHFFFAOYSA-N 1 1 285.435 3.264 20 30 CGEDMO C[N@H+](CCc1cccc(F)c1F)[C@H]1CCC[C@H]1C#N ZINC000602979636 348050144 /nfs/dbraw/zinc/05/01/44/348050144.db2.gz GPGXPXFWAAZGJY-JSGCOSHPSA-N 1 1 264.319 3.131 20 30 CGEDMO C[N@@H+](CCc1cccc(F)c1F)[C@H]1CCC[C@H]1C#N ZINC000602979636 348050145 /nfs/dbraw/zinc/05/01/45/348050145.db2.gz GPGXPXFWAAZGJY-JSGCOSHPSA-N 1 1 264.319 3.131 20 30 CGEDMO C[N@H+](CCSc1ccccc1)[C@@H]1CCC[C@@H]1C#N ZINC000602979013 348050175 /nfs/dbraw/zinc/05/01/75/348050175.db2.gz ZXEQILUKZIIZLN-UKRRQHHQSA-N 1 1 260.406 3.403 20 30 CGEDMO C[N@@H+](CCSc1ccccc1)[C@@H]1CCC[C@@H]1C#N ZINC000602979013 348050177 /nfs/dbraw/zinc/05/01/77/348050177.db2.gz ZXEQILUKZIIZLN-UKRRQHHQSA-N 1 1 260.406 3.403 20 30 CGEDMO CC1(F)CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC000602992675 348053158 /nfs/dbraw/zinc/05/31/58/348053158.db2.gz CBKXCCYLORPUOH-UHFFFAOYSA-N 1 1 250.292 3.021 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](C3CCC3)CC2)nc1 ZINC000603000056 348054052 /nfs/dbraw/zinc/05/40/52/348054052.db2.gz SUTTVAYROOJSCI-INIZCTEOSA-N 1 1 269.392 3.355 20 30 CGEDMO CC[N@@H+](CCOc1ccccc1C#N)CCC(F)(F)F ZINC000604525255 348123798 /nfs/dbraw/zinc/12/37/98/348123798.db2.gz BUNNTYLUACQLCZ-UHFFFAOYSA-N 1 1 286.297 3.211 20 30 CGEDMO COCc1cc(C#N)ccc1NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000603416639 348081554 /nfs/dbraw/zinc/08/15/54/348081554.db2.gz VOFVONNDLZENLR-QGZVFWFLSA-N 1 1 299.418 3.133 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)cc1 ZINC000603834971 348097351 /nfs/dbraw/zinc/09/73/51/348097351.db2.gz ZDNUQOVVXGCPAQ-CQSZACIVSA-N 1 1 298.308 3.102 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)cc1 ZINC000603834971 348097352 /nfs/dbraw/zinc/09/73/52/348097352.db2.gz ZDNUQOVVXGCPAQ-CQSZACIVSA-N 1 1 298.308 3.102 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000605150833 348148656 /nfs/dbraw/zinc/14/86/56/348148656.db2.gz LOTCTIGVIBXIML-OAHLLOKOSA-N 1 1 292.810 3.343 20 30 CGEDMO C=CCCC[N@H+](CCC)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000607155194 348226045 /nfs/dbraw/zinc/22/60/45/348226045.db2.gz RSMJONOVXBGGKD-RBSFLKMASA-N 1 1 251.414 3.478 20 30 CGEDMO C=C(C)CN1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000608559963 348317476 /nfs/dbraw/zinc/31/74/76/348317476.db2.gz ITERRXZPSRHFAJ-UHFFFAOYSA-N 1 1 298.352 3.399 20 30 CGEDMO CC(C)(C)[N@H+]1CCCN(c2ccc(F)cc2C#N)CC1 ZINC000610274923 348370429 /nfs/dbraw/zinc/37/04/29/348370429.db2.gz RIZPLJAXIGIKKQ-UHFFFAOYSA-N 1 1 275.371 3.008 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+](C)CCN1CCCCC1 ZINC000609926664 348358436 /nfs/dbraw/zinc/35/84/36/348358436.db2.gz MOZYJMZUSPXFQU-OAHLLOKOSA-N 1 1 271.408 3.037 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCN1CCCCC1 ZINC000609926664 348358438 /nfs/dbraw/zinc/35/84/38/348358438.db2.gz MOZYJMZUSPXFQU-OAHLLOKOSA-N 1 1 271.408 3.037 20 30 CGEDMO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000610992432 348414855 /nfs/dbraw/zinc/41/48/55/348414855.db2.gz DCFGVGSAEWZJOT-KRWDZBQOSA-N 1 1 293.370 3.299 20 30 CGEDMO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610992432 348414858 /nfs/dbraw/zinc/41/48/58/348414858.db2.gz DCFGVGSAEWZJOT-KRWDZBQOSA-N 1 1 293.370 3.299 20 30 CGEDMO C[N@@H+](Cc1ccnc(C#N)c1)[C@@H]1CCc2ccccc21 ZINC000610992012 348414974 /nfs/dbraw/zinc/41/49/74/348414974.db2.gz ZIYOEKPZCMUEMV-QGZVFWFLSA-N 1 1 263.344 3.073 20 30 CGEDMO COc1ccccc1C[N@H+](Cc1ccnc(C#N)c1)C1CC1 ZINC000610992088 348415138 /nfs/dbraw/zinc/41/51/38/348415138.db2.gz XKRAKJMTXOIWHR-UHFFFAOYSA-N 1 1 293.370 3.126 20 30 CGEDMO COc1ccccc1C[N@@H+](Cc1ccnc(C#N)c1)C1CC1 ZINC000610992088 348415141 /nfs/dbraw/zinc/41/51/41/348415141.db2.gz XKRAKJMTXOIWHR-UHFFFAOYSA-N 1 1 293.370 3.126 20 30 CGEDMO Cc1ccccc1C[C@@H]1CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610993522 348416546 /nfs/dbraw/zinc/41/65/46/348416546.db2.gz WKGYLDCBIYYJBP-IBGZPJMESA-N 1 1 291.398 3.469 20 30 CGEDMO C=CC[N@@H+](Cc1cc2ccccc2[nH]c1=O)C1CC1 ZINC000273372811 192130223 /nfs/dbraw/zinc/13/02/23/192130223.db2.gz FMCBKKVUPSDBNF-UHFFFAOYSA-N 1 1 254.333 3.091 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCO[C@H](c3ccccc3)C2)o1 ZINC000611268251 348432926 /nfs/dbraw/zinc/43/29/26/348432926.db2.gz AZIGRYRBJURIDO-KRWDZBQOSA-N 1 1 282.343 3.115 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](C(F)F)C1 ZINC000611180513 348427028 /nfs/dbraw/zinc/42/70/28/348427028.db2.gz YVTBJGGKLHQXQJ-GWCFXTLKSA-N 1 1 250.292 3.206 20 30 CGEDMO COCC[N@@H+](CCC#N)C[C@@H](C)CCc1ccccc1 ZINC000611413632 348449826 /nfs/dbraw/zinc/44/98/26/348449826.db2.gz JFVGIXJMVJOMRX-INIZCTEOSA-N 1 1 274.408 3.117 20 30 CGEDMO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1ccc(C#N)o1 ZINC000611561445 348460973 /nfs/dbraw/zinc/46/09/73/348460973.db2.gz ALOAGMFCRXELHV-VHSXEESVSA-N 1 1 272.270 3.314 20 30 CGEDMO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1ccc(C#N)o1 ZINC000611561445 348460974 /nfs/dbraw/zinc/46/09/74/348460974.db2.gz ALOAGMFCRXELHV-VHSXEESVSA-N 1 1 272.270 3.314 20 30 CGEDMO COc1c(C)cc(C[N@@H+]2CCC[C@](C)(C#N)C2)cc1C ZINC000612405556 348516726 /nfs/dbraw/zinc/51/67/26/348516726.db2.gz AAZHCJUIRNZPHY-QGZVFWFLSA-N 1 1 272.392 3.438 20 30 CGEDMO COc1c(C)cc(C[N@H+]2CCC[C@](C)(C#N)C2)cc1C ZINC000612405556 348516728 /nfs/dbraw/zinc/51/67/28/348516728.db2.gz AAZHCJUIRNZPHY-QGZVFWFLSA-N 1 1 272.392 3.438 20 30 CGEDMO CC[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C[C@@H]1CCCO1 ZINC000614162880 348653348 /nfs/dbraw/zinc/65/33/48/348653348.db2.gz AGFZRIRBOKODAS-KRWDZBQOSA-N 1 1 286.419 3.489 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@H](CCO)C2)cc1 ZINC000614165683 348653504 /nfs/dbraw/zinc/65/35/04/348653504.db2.gz IVZJVNYEFFASLC-OAHLLOKOSA-N 1 1 286.419 3.082 20 30 CGEDMO C[N@@H+](CCOCC1CC1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614171200 348654135 /nfs/dbraw/zinc/65/41/35/348654135.db2.gz FQMANQDGGMWHEB-UHFFFAOYSA-N 1 1 286.419 3.346 20 30 CGEDMO C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)CC1CCOCC1 ZINC000614176840 348655066 /nfs/dbraw/zinc/65/50/66/348655066.db2.gz OETWCAYEFTURSW-UHFFFAOYSA-N 1 1 286.419 3.346 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCOC2(CCCC2)C1 ZINC000614402511 348673756 /nfs/dbraw/zinc/67/37/56/348673756.db2.gz HRUYGHXXTWWQMV-UHFFFAOYSA-N 1 1 270.376 3.012 20 30 CGEDMO COc1cc(C)c([C@H](C)[N@H+](C)C[C@H](C)C#N)cc1C ZINC000614530578 348681863 /nfs/dbraw/zinc/68/18/63/348681863.db2.gz ACZIVDCMQUTCSC-RISCZKNCSA-N 1 1 260.381 3.465 20 30 CGEDMO COc1cc(C)c([C@H](C)[N@@H+](C)C[C@H](C)C#N)cc1C ZINC000614530578 348681870 /nfs/dbraw/zinc/68/18/70/348681870.db2.gz ACZIVDCMQUTCSC-RISCZKNCSA-N 1 1 260.381 3.465 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000271125936 190955813 /nfs/dbraw/zinc/95/58/13/190955813.db2.gz MJHKUFMFEGLKCJ-DLBZAZTESA-N 1 1 273.376 3.005 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000271125936 190955815 /nfs/dbraw/zinc/95/58/15/190955815.db2.gz MJHKUFMFEGLKCJ-DLBZAZTESA-N 1 1 273.376 3.005 20 30 CGEDMO C[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1nccs1 ZINC000618801334 349155435 /nfs/dbraw/zinc/15/54/35/349155435.db2.gz ACQNNNZIMMPDJT-YGRLFVJLSA-N 1 1 269.373 3.353 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)[C@H](C)C1 ZINC000619655370 349267769 /nfs/dbraw/zinc/26/77/69/349267769.db2.gz BBXUFIFNPDRKBT-RHSMWYFYSA-N 1 1 286.419 3.487 20 30 CGEDMO CC[N@@H+](Cc1ccoc1)Cc1ccc(C#N)c(OC)c1 ZINC000619674419 349269552 /nfs/dbraw/zinc/26/95/52/349269552.db2.gz KULRZRODJLGACH-UHFFFAOYSA-N 1 1 270.332 3.182 20 30 CGEDMO C=C[C@H](C(=O)OC)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000619785570 349285229 /nfs/dbraw/zinc/28/52/29/349285229.db2.gz XKORQGAWVJGMEP-YYIAUSFCSA-N 1 1 285.387 3.125 20 30 CGEDMO C=C[C@H](C(=O)OC)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000619785570 349285232 /nfs/dbraw/zinc/28/52/32/349285232.db2.gz XKORQGAWVJGMEP-YYIAUSFCSA-N 1 1 285.387 3.125 20 30 CGEDMO C=CCCCCCN(C)C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000624614537 350070715 /nfs/dbraw/zinc/07/07/15/350070715.db2.gz UZRZJADETPQIMK-MRXNPFEDSA-N 1 1 295.471 3.106 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H]1CCOC1 ZINC000271310132 191065767 /nfs/dbraw/zinc/06/57/67/191065767.db2.gz VFAUFQONUKFUCB-JTQLQIEISA-N 1 1 257.786 3.178 20 30 CGEDMO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H]1CCOC1 ZINC000271310132 191065771 /nfs/dbraw/zinc/06/57/71/191065771.db2.gz VFAUFQONUKFUCB-JTQLQIEISA-N 1 1 257.786 3.178 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cnc(OC)c(Cl)c2)C1 ZINC000625700317 350198185 /nfs/dbraw/zinc/19/81/85/350198185.db2.gz BBUAISKGYFAYNP-NSHDSACASA-N 1 1 266.772 3.142 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2nc(-c3ccccc3F)no2)C1 ZINC000625701470 350198887 /nfs/dbraw/zinc/19/88/87/350198887.db2.gz KDJWRCOJKUNRBT-GFCCVEGCSA-N 1 1 287.338 3.274 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](CCc2nc(-c3ccccc3)no2)C1 ZINC000625702514 350199691 /nfs/dbraw/zinc/19/96/91/350199691.db2.gz YZRHTZVGXBCELA-CQSZACIVSA-N 1 1 283.375 3.177 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2F)C1 ZINC000625702357 350200199 /nfs/dbraw/zinc/20/01/99/350200199.db2.gz DQAWRHFMVHLZSH-LLVKDONJSA-N 1 1 296.773 3.316 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2F)C1 ZINC000625702357 350200203 /nfs/dbraw/zinc/20/02/03/350200203.db2.gz DQAWRHFMVHLZSH-LLVKDONJSA-N 1 1 296.773 3.316 20 30 CGEDMO C[C@]12CCCC[C@H]1C[N@H+]2CC#Cc1ccc(F)cc1 ZINC000626104097 350261045 /nfs/dbraw/zinc/26/10/45/350261045.db2.gz FFVCRRIOHUMUJQ-RDJZCZTQSA-N 1 1 257.352 3.442 20 30 CGEDMO C=CCOCC[N@H+]([C@H](C)COC)[C@@H]1CCc2ccccc21 ZINC000626133217 350268155 /nfs/dbraw/zinc/26/81/55/350268155.db2.gz JPGSIKFWTMGBRP-CRAIPNDOSA-N 1 1 289.419 3.213 20 30 CGEDMO C=CCC(CC=C)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000628545177 350573333 /nfs/dbraw/zinc/57/33/33/350573333.db2.gz BMSHPSLULIUZRJ-KRWDZBQOSA-N 1 1 290.451 3.278 20 30 CGEDMO Cc1cc(C[N@@H+]2CCCC[C@@H]2c2cc[nH]n2)ccc1C#N ZINC000352221685 219369609 /nfs/dbraw/zinc/36/96/09/219369609.db2.gz NOFUWLBBBJRSNV-QGZVFWFLSA-N 1 1 280.375 3.317 20 30 CGEDMO Cc1cc(C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)ccc1C#N ZINC000352221685 219369612 /nfs/dbraw/zinc/36/96/12/219369612.db2.gz NOFUWLBBBJRSNV-QGZVFWFLSA-N 1 1 280.375 3.317 20 30 CGEDMO C=CCCCCC[N@@H+]1CCNC(=O)[C@H]1c1ccccc1C ZINC000630031464 350799521 /nfs/dbraw/zinc/79/95/21/350799521.db2.gz UKJBZDJGFQGADN-QGZVFWFLSA-N 1 1 286.419 3.214 20 30 CGEDMO C=CCCCCC[N@H+]1CCNC(=O)[C@H]1c1ccccc1C ZINC000630031464 350799522 /nfs/dbraw/zinc/79/95/22/350799522.db2.gz UKJBZDJGFQGADN-QGZVFWFLSA-N 1 1 286.419 3.214 20 30 CGEDMO C=CCn1cc(C[NH2+]C/C=C\c2cc(C)c(C)cc2C)nn1 ZINC000631163786 350975227 /nfs/dbraw/zinc/97/52/27/350975227.db2.gz UVNBYXZBKFSZHN-SREVYHEPSA-N 1 1 296.418 3.192 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCCC23CCCCC3)n1 ZINC000336477231 213348320 /nfs/dbraw/zinc/34/83/20/213348320.db2.gz PJNQXFPFOJCYQF-UHFFFAOYSA-N 1 1 261.394 3.313 20 30 CGEDMO C#CC[C@H]([NH2+]Cc1ccn(C(C)C)n1)c1ccccc1 ZINC000271653814 191261332 /nfs/dbraw/zinc/26/13/32/191261332.db2.gz BRFYTDXRCQFGRB-KRWDZBQOSA-N 1 1 267.376 3.318 20 30 CGEDMO CC[C@@]1(C)CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000156583560 188271401 /nfs/dbraw/zinc/27/14/01/188271401.db2.gz YLYUFDYNPXAJDG-IRXDYDNUSA-N 1 1 272.392 3.104 20 30 CGEDMO C[C@H]1C[C@H]([N@@H+](C)CCCC#N)CCN1Cc1ccccc1 ZINC000156933568 188288972 /nfs/dbraw/zinc/28/89/72/188288972.db2.gz WIZLDUHPAMQQHT-FUHWJXTLSA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@H]1C[C@H](N(C)CCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000156933568 188288974 /nfs/dbraw/zinc/28/89/74/188288974.db2.gz WIZLDUHPAMQQHT-FUHWJXTLSA-N 1 1 285.435 3.275 20 30 CGEDMO CSC[C@H]1CCC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000292554569 198330677 /nfs/dbraw/zinc/33/06/77/198330677.db2.gz YWFKTTAOIXYQCM-HNNXBMFYSA-N 1 1 290.432 3.012 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000428247281 283075216 /nfs/dbraw/zinc/07/52/16/283075216.db2.gz TZTPAKPCODDWNZ-BLLLJJGKSA-N 1 1 258.340 3.462 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(OC)cn1 ZINC000271841978 191360360 /nfs/dbraw/zinc/36/03/60/191360360.db2.gz UAWGTHHHGJQGKI-UHFFFAOYSA-N 1 1 295.386 3.374 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC23CCC3)c(Br)c1 ZINC000350952015 283139233 /nfs/dbraw/zinc/13/92/33/283139233.db2.gz RIHSSSXPMVPXPY-UHFFFAOYSA-N 1 1 291.192 3.449 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC23CCC3)c(Br)c1 ZINC000350952015 283139234 /nfs/dbraw/zinc/13/92/34/283139234.db2.gz RIHSSSXPMVPXPY-UHFFFAOYSA-N 1 1 291.192 3.449 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)cc1 ZINC000246138731 283141665 /nfs/dbraw/zinc/14/16/65/283141665.db2.gz NKZWETIZZBGGKX-HZPDHXFCSA-N 1 1 272.417 3.418 20 30 CGEDMO N#Cc1ccc2c(c1)CCCC[C@H]2NCCC[NH+]1CCCC1 ZINC000360830619 283192106 /nfs/dbraw/zinc/19/21/06/283192106.db2.gz DIHYAJUZDUPYPM-LJQANCHMSA-N 1 1 297.446 3.401 20 30 CGEDMO C[C@@H]1CC[C@@H](C)[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000088704503 138342480 /nfs/dbraw/zinc/34/24/80/138342480.db2.gz CROXSGSZRWQRJI-ZIAGYGMSSA-N 1 1 258.365 3.057 20 30 CGEDMO C[C@@H]1CC[C@@H](C)[N@@H+](CCOc2ccccc2C#N)C1 ZINC000088704531 138342903 /nfs/dbraw/zinc/34/29/03/138342903.db2.gz XBVVMQWAFTYMEB-ZIAGYGMSSA-N 1 1 258.365 3.057 20 30 CGEDMO CC[C@H]1CC[C@H](C)[N@H+]1CCOc1ccc(C#N)cc1 ZINC000124614352 138376269 /nfs/dbraw/zinc/37/62/69/138376269.db2.gz RLQFGJMBQUXPAG-ZFWWWQNUSA-N 1 1 258.365 3.200 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccn(C)c1 ZINC000425365494 236238475 /nfs/dbraw/zinc/23/84/75/236238475.db2.gz KZVRTZCCHYDULZ-CYBMUJFWSA-N 1 1 253.349 3.090 20 30 CGEDMO Cc1ccnc(NC[C@H]2CCC[N@H+]2C2CCCCC2)c1C#N ZINC000435599710 236958977 /nfs/dbraw/zinc/95/89/77/236958977.db2.gz YEPBVDGHCJWTRD-MRXNPFEDSA-N 1 1 298.434 3.471 20 30 CGEDMO CC[N@@H+](Cc1ccnc(N)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000298255562 200373328 /nfs/dbraw/zinc/37/33/28/200373328.db2.gz USNJNVSCWDGPLU-CYBMUJFWSA-N 1 1 280.375 3.119 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)c(Cl)c1 ZINC000342026763 216192687 /nfs/dbraw/zinc/19/26/87/216192687.db2.gz VGFITIDYFWPXBT-HZPDHXFCSA-N 1 1 290.794 3.355 20 30 CGEDMO Cn1cc(C[N@H+]2CCC(C)(C)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180140264 189239073 /nfs/dbraw/zinc/23/90/73/189239073.db2.gz NQVFVLIJWWGQAK-UHFFFAOYSA-N 1 1 294.402 3.191 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)c1 ZINC000181536883 189299565 /nfs/dbraw/zinc/29/95/65/189299565.db2.gz ZBTPLFCMTRGMBB-LJQANCHMSA-N 1 1 292.382 3.002 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)c1 ZINC000181536883 189299566 /nfs/dbraw/zinc/29/95/66/189299566.db2.gz ZBTPLFCMTRGMBB-LJQANCHMSA-N 1 1 292.382 3.002 20 30 CGEDMO CN(CC[C@@H]1CCCC[N@H+]1C)c1cccc(F)c1C#N ZINC000301446062 201011823 /nfs/dbraw/zinc/01/18/23/201011823.db2.gz JXCFJSUZOOYHJJ-ZDUSSCGKSA-N 1 1 275.371 3.008 20 30 CGEDMO C[C@@H](c1ccccn1)[N@H+](C)Cc1ccc(C#N)s1 ZINC000182064715 189313415 /nfs/dbraw/zinc/31/34/15/189313415.db2.gz VPRUXXTUWGOORG-NSHDSACASA-N 1 1 257.362 3.208 20 30 CGEDMO C[C@@H](c1ccccn1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000182064715 189313416 /nfs/dbraw/zinc/31/34/16/189313416.db2.gz VPRUXXTUWGOORG-NSHDSACASA-N 1 1 257.362 3.208 20 30 CGEDMO CC[N@@H+](Cc1cccn1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000119880477 370719230 /nfs/dbraw/zinc/71/92/30/370719230.db2.gz BOEYQZQPMABBHQ-AWEZNQCLSA-N 1 1 267.376 3.480 20 30 CGEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(C#N)c2)C1(C)C ZINC000120573922 370781710 /nfs/dbraw/zinc/78/17/10/370781710.db2.gz YKVXGTFHSSNLET-JKSUJKDBSA-N 1 1 272.392 3.194 20 30 CGEDMO C[C@@]12C[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451366260 240285563 /nfs/dbraw/zinc/28/55/63/240285563.db2.gz IHZYLYCJLAGDLE-VKZRIFJHSA-N 1 1 282.362 3.341 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)cc1OC)[C@H](C)C(C)C ZINC000120718870 370793429 /nfs/dbraw/zinc/79/34/29/370793429.db2.gz NIPWBPLMQIANJB-CYBMUJFWSA-N 1 1 260.381 3.433 20 30 CGEDMO C#CC[C@@H]([NH2+][C@@H](C)c1nccnc1C)c1ccccc1 ZINC000275865341 193150644 /nfs/dbraw/zinc/15/06/44/193150644.db2.gz NPRFYRPEGYDIGN-GOEBONIOSA-N 1 1 265.360 3.200 20 30 CGEDMO C#CCOc1ccccc1CNc1ccc2c(c1)C[N@@H+](C)C2 ZINC000121303493 370850753 /nfs/dbraw/zinc/85/07/53/370850753.db2.gz HVIOMKIYGQJAET-UHFFFAOYSA-N 1 1 292.382 3.256 20 30 CGEDMO CCC(CC)[N@@H+](CC)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459543815 242127504 /nfs/dbraw/zinc/12/75/04/242127504.db2.gz ZADXVAJKASHESN-UHFFFAOYSA-N 1 1 275.352 3.477 20 30 CGEDMO C[C@@H](C(=O)Nc1ccccc1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026324600 368856695 /nfs/dbraw/zinc/85/66/95/368856695.db2.gz HZHMIOUUBXMPFC-AWEZNQCLSA-N 1 1 293.370 3.017 20 30 CGEDMO C[C@@H](C(=O)Nc1ccccc1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026324600 368856700 /nfs/dbraw/zinc/85/67/00/368856700.db2.gz HZHMIOUUBXMPFC-AWEZNQCLSA-N 1 1 293.370 3.017 20 30 CGEDMO CC[N@@H+](CC(=O)Nc1sccc1C#N)C1CCCCC1 ZINC000027285003 368870467 /nfs/dbraw/zinc/87/04/67/368870467.db2.gz CLOJHOIBEYHMRA-UHFFFAOYSA-N 1 1 291.420 3.213 20 30 CGEDMO C[N@@H+](CCOc1ccc(C#N)cc1)Cc1cccs1 ZINC000035122339 368999507 /nfs/dbraw/zinc/99/95/07/368999507.db2.gz ZQIPJYRUGRZMCM-UHFFFAOYSA-N 1 1 272.373 3.131 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](Cc1ccccc1C)C1CC1 ZINC000036104583 369008998 /nfs/dbraw/zinc/00/89/98/369008998.db2.gz OHHHPQFZLBSKTN-QGZVFWFLSA-N 1 1 259.393 3.287 20 30 CGEDMO N#CCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000040215844 369152962 /nfs/dbraw/zinc/15/29/62/369152962.db2.gz LAUGKKFAYOEWTO-UHFFFAOYSA-N 1 1 297.324 3.131 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000128304098 370960188 /nfs/dbraw/zinc/96/01/88/370960188.db2.gz RGPYFDHDFXOVPO-GOSISDBHSA-N 1 1 298.430 3.099 20 30 CGEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1csc2ccccc12 ZINC000052805929 369472579 /nfs/dbraw/zinc/47/25/79/369472579.db2.gz KTIXLRBXMWSADH-LBPRGKRZSA-N 1 1 288.416 3.024 20 30 CGEDMO CCO[C@H]1C[C@H]([N@@H+](C)CCCC#N)C12CCCCC2 ZINC000127434857 370952383 /nfs/dbraw/zinc/95/23/83/370952383.db2.gz WSYLFLKQNRFPTE-GJZGRUSLSA-N 1 1 264.413 3.350 20 30 CGEDMO C#CC[N@@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000052917324 369475417 /nfs/dbraw/zinc/47/54/17/369475417.db2.gz QAIKQBCTTPQMNQ-AWEZNQCLSA-N 1 1 259.399 3.390 20 30 CGEDMO C#CC[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000052917324 369475421 /nfs/dbraw/zinc/47/54/21/369475421.db2.gz QAIKQBCTTPQMNQ-AWEZNQCLSA-N 1 1 259.399 3.390 20 30 CGEDMO C=CCC[N@H+](C)Cc1sc(C)nc1C(F)(F)F ZINC000276335342 193290922 /nfs/dbraw/zinc/29/09/22/193290922.db2.gz BSLLYDFUNVTUFE-UHFFFAOYSA-N 1 1 264.316 3.478 20 30 CGEDMO C[N@@H+](CCCOc1cccc(C#N)c1)CC1CCC1 ZINC000061457876 369599902 /nfs/dbraw/zinc/59/99/02/369599902.db2.gz NQYPARRIIHYGEN-UHFFFAOYSA-N 1 1 258.365 3.059 20 30 CGEDMO C[C@@H](O)C[N@@H+](CCCC(C)(C)C#N)C1CCCCC1 ZINC000174842165 261199469 /nfs/dbraw/zinc/19/94/69/261199469.db2.gz IGLJTCOOVXMWNP-CQSZACIVSA-N 1 1 266.429 3.332 20 30 CGEDMO CCC[N@H+](Cc1ccccc1)C[C@@H](C#N)CCC#N ZINC000072589862 369827462 /nfs/dbraw/zinc/82/74/62/369827462.db2.gz CSPYEVSXSVMDBN-MRXNPFEDSA-N 1 1 255.365 3.342 20 30 CGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCC(C)(C)C1 ZINC000070258994 369792687 /nfs/dbraw/zinc/79/26/87/369792687.db2.gz YFOAHLMGQUFRAJ-ZDUSSCGKSA-N 1 1 285.391 3.007 20 30 CGEDMO CC[C@H](C)C[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075720954 369917276 /nfs/dbraw/zinc/91/72/76/369917276.db2.gz YBWVZEWTCYGHIV-LBPRGKRZSA-N 1 1 284.363 3.086 20 30 CGEDMO C=C(Cl)CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110279 369930958 /nfs/dbraw/zinc/93/09/58/369930958.db2.gz QBTKRBPHCJVPMF-INIZCTEOSA-N 1 1 278.827 3.193 20 30 CGEDMO CC(C)(C)OC(=O)C1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000276815886 193468944 /nfs/dbraw/zinc/46/89/44/193468944.db2.gz OSLMXRBAXPDPBA-UHFFFAOYSA-N 1 1 299.414 3.092 20 30 CGEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H]3C3CCCC3)n2c1 ZINC000092401472 370096303 /nfs/dbraw/zinc/09/63/03/370096303.db2.gz YYSHYRIRLMOZOZ-QGZVFWFLSA-N 1 1 294.402 3.361 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCCC[C@@H]1c1ncc[nH]1 ZINC000092730158 370100571 /nfs/dbraw/zinc/10/05/71/370100571.db2.gz HZDPGGMVBSWFPG-CYBMUJFWSA-N 1 1 260.385 3.267 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C)cc1 ZINC000097056826 370220170 /nfs/dbraw/zinc/22/01/70/370220170.db2.gz YSMUUBHHJDARDQ-MRXNPFEDSA-N 1 1 288.435 3.240 20 30 CGEDMO C[C@@H](C/N=C/c1ccccc1O)[N@@H+](C)Cc1ccccc1 ZINC000110129358 370370716 /nfs/dbraw/zinc/37/07/16/370370716.db2.gz DATLVQBXYDYWPK-SJPXOZHESA-N 1 1 282.387 3.332 20 30 CGEDMO Cc1ccc([C@@H]2CSCC[N@H+]2CCCC#N)cc1 ZINC000116324886 370556925 /nfs/dbraw/zinc/55/69/25/370556925.db2.gz GWISPDNJCJAZMK-HNNXBMFYSA-N 1 1 260.406 3.389 20 30 CGEDMO C=CC[C@H](C)NC(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000116853707 370571347 /nfs/dbraw/zinc/57/13/47/370571347.db2.gz KCXPRUGBTBWWDR-AWEZNQCLSA-N 1 1 286.419 3.365 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1C[C@H](C)CC[C@@H]1C ZINC000130476537 371036096 /nfs/dbraw/zinc/03/60/96/371036096.db2.gz MGHCWMNKNHNKCE-OLZOCXBDSA-N 1 1 258.365 3.187 20 30 CGEDMO CCc1nn(C)c(CC)c1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000130792940 371060712 /nfs/dbraw/zinc/06/07/12/371060712.db2.gz SJVMSHOOAKWGPX-UHFFFAOYSA-N 1 1 296.418 3.049 20 30 CGEDMO CCc1nn(C)c(CC)c1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000130792940 371060716 /nfs/dbraw/zinc/06/07/16/371060716.db2.gz SJVMSHOOAKWGPX-UHFFFAOYSA-N 1 1 296.418 3.049 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](CC)C[C@H]2CCCO2)c1 ZINC000131779087 371129458 /nfs/dbraw/zinc/12/94/58/371129458.db2.gz KLFSQVPJBMYCAU-QGZVFWFLSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1OC)C(C)(C)C ZINC000132103063 371152344 /nfs/dbraw/zinc/15/23/44/371152344.db2.gz PDEPOHLLQLBHPA-UHFFFAOYSA-N 1 1 263.381 3.490 20 30 CGEDMO C=CC[N@@H+](CC(=O)N[C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000537854314 376205281 /nfs/dbraw/zinc/20/52/81/376205281.db2.gz ULMLLQPXZODOLX-LBPRGKRZSA-N 1 1 292.810 3.168 20 30 CGEDMO C=CC[N@H+](CC(=O)N[C@@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000537854314 376205285 /nfs/dbraw/zinc/20/52/85/376205285.db2.gz ULMLLQPXZODOLX-LBPRGKRZSA-N 1 1 292.810 3.168 20 30 CGEDMO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2)s1 ZINC000134907645 371373795 /nfs/dbraw/zinc/37/37/95/371373795.db2.gz XZKVVABGKOIXHD-LLVKDONJSA-N 1 1 257.362 3.174 20 30 CGEDMO CSC[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000135485428 371431805 /nfs/dbraw/zinc/43/18/05/371431805.db2.gz SKRXYJBERDVTQE-CQSZACIVSA-N 1 1 264.369 3.025 20 30 CGEDMO CSC[C@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000135485428 371431811 /nfs/dbraw/zinc/43/18/11/371431811.db2.gz SKRXYJBERDVTQE-CQSZACIVSA-N 1 1 264.369 3.025 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC000151169201 371578419 /nfs/dbraw/zinc/57/84/19/371578419.db2.gz OKNSEJBISWTCRN-GFCCVEGCSA-N 1 1 251.757 3.237 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC000151169201 371578422 /nfs/dbraw/zinc/57/84/22/371578422.db2.gz OKNSEJBISWTCRN-GFCCVEGCSA-N 1 1 251.757 3.237 20 30 CGEDMO CC[N@@H+](CC#Cc1ccc(F)cc1)[C@H]1CCOC(C)(C)C1 ZINC000289973300 371867361 /nfs/dbraw/zinc/86/73/61/371867361.db2.gz XEQNNOCNKXQUHE-KRWDZBQOSA-N 1 1 289.394 3.457 20 30 CGEDMO CC#CCC[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000155732526 371941564 /nfs/dbraw/zinc/94/15/64/371941564.db2.gz XRIYEKQHLFKFDC-UHFFFAOYSA-N 1 1 273.220 3.217 20 30 CGEDMO C#CC[N@H+](Cc1nc(-c2ccccc2)no1)C1CCCC1 ZINC000155758600 371943133 /nfs/dbraw/zinc/94/31/33/371943133.db2.gz YAGCEKWBPPUICL-UHFFFAOYSA-N 1 1 281.359 3.114 20 30 CGEDMO C#CC[N@@H+](Cc1nc(-c2ccccc2)no1)C1CCCC1 ZINC000155758600 371943139 /nfs/dbraw/zinc/94/31/39/371943139.db2.gz YAGCEKWBPPUICL-UHFFFAOYSA-N 1 1 281.359 3.114 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000155137045 371908496 /nfs/dbraw/zinc/90/84/96/371908496.db2.gz IAASXXJLJGKFQM-LLVKDONJSA-N 1 1 282.334 3.190 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000155755773 371943652 /nfs/dbraw/zinc/94/36/52/371943652.db2.gz GRBAQAMGPJITCK-OAHLLOKOSA-N 1 1 273.351 3.134 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+](C)[C@H](C)c1ccco1 ZINC000156396911 371976518 /nfs/dbraw/zinc/97/65/18/371976518.db2.gz WLPLSYHARPPGMG-GFCCVEGCSA-N 1 1 270.332 3.353 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@H](C)c1ccco1 ZINC000156396911 371976527 /nfs/dbraw/zinc/97/65/27/371976527.db2.gz WLPLSYHARPPGMG-GFCCVEGCSA-N 1 1 270.332 3.353 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCCc3occc3C2)s1 ZINC000290265795 371949651 /nfs/dbraw/zinc/94/96/51/371949651.db2.gz XGBQOHSHKAEOGS-UHFFFAOYSA-N 1 1 258.346 3.161 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCc3occc3C2)s1 ZINC000290265795 371949654 /nfs/dbraw/zinc/94/96/54/371949654.db2.gz XGBQOHSHKAEOGS-UHFFFAOYSA-N 1 1 258.346 3.161 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000157973583 372045871 /nfs/dbraw/zinc/04/58/71/372045871.db2.gz XYFQIHSCJJRWNX-MRXNPFEDSA-N 1 1 294.402 3.065 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000424750220 372097235 /nfs/dbraw/zinc/09/72/35/372097235.db2.gz KLOGMSXTXKIPHC-HZPDHXFCSA-N 1 1 286.419 3.150 20 30 CGEDMO C[C@H](CN[C@@H]1CCCCc2cc(C#N)ccc21)C[NH+](C)C ZINC000425938567 372146402 /nfs/dbraw/zinc/14/64/02/372146402.db2.gz QJHYUHIFODOTQZ-RDTXWAMCSA-N 1 1 285.435 3.113 20 30 CGEDMO C[C@H](C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21)CN(C)C ZINC000425938567 372146406 /nfs/dbraw/zinc/14/64/06/372146406.db2.gz QJHYUHIFODOTQZ-RDTXWAMCSA-N 1 1 285.435 3.113 20 30 CGEDMO C[C@H](CN[C@H]1CCCCc2cc(C#N)ccc21)C[NH+](C)C ZINC000425938564 372146434 /nfs/dbraw/zinc/14/64/34/372146434.db2.gz QJHYUHIFODOTQZ-KDOFPFPSSA-N 1 1 285.435 3.113 20 30 CGEDMO C[C@H](C[NH2+][C@H]1CCCCc2cc(C#N)ccc21)CN(C)C ZINC000425938564 372146440 /nfs/dbraw/zinc/14/64/40/372146440.db2.gz QJHYUHIFODOTQZ-KDOFPFPSSA-N 1 1 285.435 3.113 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)CC(C)(C)COC ZINC000426393330 372155208 /nfs/dbraw/zinc/15/52/08/372155208.db2.gz CZSVSWOXFRERON-UHFFFAOYSA-N 1 1 261.409 3.390 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cnc2c(C)cccn12 ZINC000426560889 372164479 /nfs/dbraw/zinc/16/44/79/372164479.db2.gz SBYGFZULOBORQV-CQSZACIVSA-N 1 1 255.365 3.183 20 30 CGEDMO CC(C)(C)OC(=O)CC[C@H]1CCCC[N@H+]1CCCC#N ZINC000425473029 372127910 /nfs/dbraw/zinc/12/79/10/372127910.db2.gz JTIFLTWMJMEQEH-CQSZACIVSA-N 1 1 280.412 3.267 20 30 CGEDMO C[C@@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)[C@H](C)C1 ZINC000425511345 372129520 /nfs/dbraw/zinc/12/95/20/372129520.db2.gz CNSFEJQCBHQKEK-HUUCEWRRSA-N 1 1 264.413 3.207 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1CC[C@@H](C)O1 ZINC000425530632 372130683 /nfs/dbraw/zinc/13/06/83/372130683.db2.gz FRYABANZLPQYTF-DVOMOZLQSA-N 1 1 258.365 3.119 20 30 CGEDMO C[N@H+]1CCC[C@@]2(CCN(c3cc(Cl)ccc3C#N)C2)C1 ZINC000292850481 372225653 /nfs/dbraw/zinc/22/56/53/372225653.db2.gz RGQMWVGXOUEJJF-MRXNPFEDSA-N 1 1 289.810 3.134 20 30 CGEDMO CCCO[C@H]1CCC[N@H+](Cc2cc(F)ccc2C#N)CC1 ZINC000160277429 372233658 /nfs/dbraw/zinc/23/36/58/372233658.db2.gz LRHHDEMWQAQHOG-KRWDZBQOSA-N 1 1 290.382 3.478 20 30 CGEDMO CCCO[C@H]1CCC[N@@H+](Cc2cc(F)ccc2C#N)CC1 ZINC000160277429 372233661 /nfs/dbraw/zinc/23/36/61/372233661.db2.gz LRHHDEMWQAQHOG-KRWDZBQOSA-N 1 1 290.382 3.478 20 30 CGEDMO CCC[C@@]1(CO)CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000344261805 217123370 /nfs/dbraw/zinc/12/33/70/217123370.db2.gz KEIYOFVKVBXYCX-MRXNPFEDSA-N 1 1 292.810 3.196 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1oc(CC)nc1C ZINC000428356130 372184912 /nfs/dbraw/zinc/18/49/12/372184912.db2.gz STATZSWTXUHTBX-UHFFFAOYSA-N 1 1 274.364 3.369 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@@](CC)(CO)C1 ZINC000428448600 372202870 /nfs/dbraw/zinc/20/28/70/372202870.db2.gz QIWJWPOSJNHERM-GOSISDBHSA-N 1 1 289.419 3.236 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000428724929 372257138 /nfs/dbraw/zinc/25/71/38/372257138.db2.gz XKIRTZKUCDSGKG-YPMHNXCESA-N 1 1 256.340 3.293 20 30 CGEDMO Cc1ccc(C#N)c(NCCCC[N@@H+]2CCC[C@H](C)C2)n1 ZINC000160620879 372263115 /nfs/dbraw/zinc/26/31/15/372263115.db2.gz ICNBIASBUHTENT-AWEZNQCLSA-N 1 1 286.423 3.186 20 30 CGEDMO N#Cc1ccc(N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(F)c1 ZINC000161913336 372361464 /nfs/dbraw/zinc/36/14/64/372361464.db2.gz ZFCSWEHROGOAFD-RHSMWYFYSA-N 1 1 299.393 3.150 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433078917 372579653 /nfs/dbraw/zinc/57/96/53/372579653.db2.gz XGIGUXSJYHNNFO-IAGOWNOFSA-N 1 1 259.393 3.193 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CC[C@@H](SC)C2)cc1 ZINC000294951637 372682308 /nfs/dbraw/zinc/68/23/08/372682308.db2.gz DAVAWBYMRLHLDJ-MRXNPFEDSA-N 1 1 275.417 3.026 20 30 CGEDMO Cc1ccn(C2CC[NH+](Cc3cccc(C#N)c3F)CC2)n1 ZINC000434511289 372684953 /nfs/dbraw/zinc/68/49/53/372684953.db2.gz PJRGEVNNFSCCGN-UHFFFAOYSA-N 1 1 298.365 3.039 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000434898076 372716046 /nfs/dbraw/zinc/71/60/46/372716046.db2.gz AXLRFYZQGFOFNU-SJLPKXTDSA-N 1 1 298.430 3.065 20 30 CGEDMO CCC[C@@H](O)C[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000295558775 372825180 /nfs/dbraw/zinc/82/51/80/372825180.db2.gz QBIUNYVVUKIFJG-CZUORRHYSA-N 1 1 260.381 3.102 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cncc(Br)c1 ZINC000172188753 372923449 /nfs/dbraw/zinc/92/34/49/372923449.db2.gz JMEUEVAFGHZDIW-UHFFFAOYSA-N 1 1 269.186 3.242 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)c1 ZINC000438367876 372944366 /nfs/dbraw/zinc/94/43/66/372944366.db2.gz YCWDRNSTGNFZOX-SOUVJXGZSA-N 1 1 275.392 3.249 20 30 CGEDMO C[C@H]1Cc2[nH+]cn(Cc3ccccc3C#N)c2C[C@@H]1C ZINC000296001431 372989674 /nfs/dbraw/zinc/98/96/74/372989674.db2.gz PVLGDVIOMFHHLE-STQMWFEESA-N 1 1 265.360 3.174 20 30 CGEDMO N#C[C@@H]1CC[C@H](N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000442657872 373060796 /nfs/dbraw/zinc/06/07/96/373060796.db2.gz WBARFZYCHDBRJU-NJAFHUGGSA-N 1 1 283.419 3.105 20 30 CGEDMO N#C[C@@H]1CC[C@@H](NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000442854659 373105186 /nfs/dbraw/zinc/10/51/86/373105186.db2.gz LDVRLYQQBJMNNO-BFYDXBDKSA-N 1 1 275.440 3.065 20 30 CGEDMO N#C[C@@H]1CC[C@@H](NC[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000442854659 373105197 /nfs/dbraw/zinc/10/51/97/373105197.db2.gz LDVRLYQQBJMNNO-BFYDXBDKSA-N 1 1 275.440 3.065 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCN2C2CCCCC2)C1 ZINC000442854659 373105204 /nfs/dbraw/zinc/10/52/04/373105204.db2.gz LDVRLYQQBJMNNO-BFYDXBDKSA-N 1 1 275.440 3.065 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)c1 ZINC000443779167 373160960 /nfs/dbraw/zinc/16/09/60/373160960.db2.gz ILWJMDASALPRNN-RLFYNMQTSA-N 1 1 289.419 3.233 20 30 CGEDMO CC[C@H]([NH2+]Cc1nnc(C(C)C)[nH]1)c1ccc(C#N)cc1 ZINC000296637748 373203339 /nfs/dbraw/zinc/20/33/39/373203339.db2.gz XVPDQERYFMNURH-AWEZNQCLSA-N 1 1 283.379 3.041 20 30 CGEDMO CC[C@@H]([NH2+]Cc1nnc(C(C)C)[nH]1)c1ccc(C#N)cc1 ZINC000296637752 373204480 /nfs/dbraw/zinc/20/44/80/373204480.db2.gz XVPDQERYFMNURH-CQSZACIVSA-N 1 1 283.379 3.041 20 30 CGEDMO CC(C)[N@@H+](C)C[C@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000353575275 220167441 /nfs/dbraw/zinc/16/74/41/220167441.db2.gz KIKCCIFBJHFGSE-STQMWFEESA-N 1 1 277.387 3.077 20 30 CGEDMO CC(C)N(C)C[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000353575275 220167444 /nfs/dbraw/zinc/16/74/44/220167444.db2.gz KIKCCIFBJHFGSE-STQMWFEESA-N 1 1 277.387 3.077 20 30 CGEDMO CC[C@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000444676931 373232926 /nfs/dbraw/zinc/23/29/26/373232926.db2.gz OTSJVLSYWZJDRH-RDJZCZTQSA-N 1 1 299.418 3.397 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000444725055 373250035 /nfs/dbraw/zinc/25/00/35/373250035.db2.gz FWPWBHGBJADONS-XQQFMLRXSA-N 1 1 279.346 3.366 20 30 CGEDMO C=CCCCN(C)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000296997535 373255542 /nfs/dbraw/zinc/25/55/42/373255542.db2.gz OUXXVXWUVUKEOF-UHFFFAOYSA-N 1 1 272.352 3.073 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cncn1Cc1ccccc1 ZINC000445812010 373316949 /nfs/dbraw/zinc/31/69/49/373316949.db2.gz VEJXADMNOOORCF-UHFFFAOYSA-N 1 1 269.392 3.329 20 30 CGEDMO N#Cc1cccc(OCC[N@H+]2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000298752985 373400837 /nfs/dbraw/zinc/40/08/37/373400837.db2.gz HRPVRMZEASJCKN-QGZVFWFLSA-N 1 1 281.359 3.102 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000175404305 373463636 /nfs/dbraw/zinc/46/36/36/373463636.db2.gz RRJFWVFZCDBFMF-SCLBCKFNSA-N 1 1 265.422 3.383 20 30 CGEDMO Cc1cc(C)c(C#N)c(NC[C@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC000447807165 373493965 /nfs/dbraw/zinc/49/39/65/373493965.db2.gz QEOTUKQEDAODPO-OAHLLOKOSA-N 1 1 286.423 3.102 20 30 CGEDMO C=C(C)CN1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000448551894 373587028 /nfs/dbraw/zinc/58/70/28/373587028.db2.gz DVNJFPONCIHWGV-MRXNPFEDSA-N 1 1 258.409 3.016 20 30 CGEDMO C=C(C)C[N@H+]1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000448551894 373587034 /nfs/dbraw/zinc/58/70/34/373587034.db2.gz DVNJFPONCIHWGV-MRXNPFEDSA-N 1 1 258.409 3.016 20 30 CGEDMO C=C(C)C[N@@H+]1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000448551894 373587046 /nfs/dbraw/zinc/58/70/46/373587046.db2.gz DVNJFPONCIHWGV-MRXNPFEDSA-N 1 1 258.409 3.016 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(Cl)cc1)C[C@H]1CCCOC1 ZINC000177152131 373657852 /nfs/dbraw/zinc/65/78/52/373657852.db2.gz PGCOCIXGOXCRCB-OAHLLOKOSA-N 1 1 277.795 3.050 20 30 CGEDMO C=CC(C)(C)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000448958391 373651798 /nfs/dbraw/zinc/65/17/98/373651798.db2.gz XBDFHHILJDFJSU-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC1(C(=O)N2CCC[N@H+](CC)CC2)CCCCC1 ZINC000448943199 373651977 /nfs/dbraw/zinc/65/19/77/373651977.db2.gz VYKJAHDWMGSBNJ-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO COc1nccnc1C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000449339945 373683664 /nfs/dbraw/zinc/68/36/64/373683664.db2.gz LVWQRHHIZXLNNR-HNNXBMFYSA-N 1 1 296.374 3.010 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](SC)C2)cc1 ZINC000449447379 373727359 /nfs/dbraw/zinc/72/73/59/373727359.db2.gz YJMSXRIPRSQUKC-OAHLLOKOSA-N 1 1 263.406 3.189 20 30 CGEDMO CCCC[N@@H+](C)CCNc1cc(Cl)ccc1C#N ZINC000301295956 373735310 /nfs/dbraw/zinc/73/53/10/373735310.db2.gz XNHHOJARBMREOQ-UHFFFAOYSA-N 1 1 265.788 3.355 20 30 CGEDMO C=C(C)C[N@@H+](CC)C[C@@H](O)COc1cccc2ccccc21 ZINC000301313858 373742457 /nfs/dbraw/zinc/74/24/57/373742457.db2.gz HGISGJXQAFTSLL-QGZVFWFLSA-N 1 1 299.414 3.478 20 30 CGEDMO C=CCC[C@H]([NH2+][C@@H](C)C1CCCC1)C(=O)OCC ZINC000449656884 373838619 /nfs/dbraw/zinc/83/86/19/373838619.db2.gz MUGFMLYIHBBLEE-JSGCOSHPSA-N 1 1 253.386 3.053 20 30 CGEDMO COc1ccccc1C[N@@H+](C)CC(C)(C)CCC#N ZINC000179589761 373890561 /nfs/dbraw/zinc/89/05/61/373890561.db2.gz CSWGIXGCBQPHSB-UHFFFAOYSA-N 1 1 260.381 3.457 20 30 CGEDMO C[C@]12C[N@@H+](Cc3ccc(C#N)o3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000449762952 373891739 /nfs/dbraw/zinc/89/17/39/373891739.db2.gz NDAYQUCQMMBLIQ-NOXHYTERSA-N 1 1 256.349 3.019 20 30 CGEDMO Cn1cc(C[N@H+]2CC[C@@H](CC(C)(C)C)C2)cc1C#N ZINC000449775338 373903907 /nfs/dbraw/zinc/90/39/07/373903907.db2.gz MFPVHQVYAFZEGY-ZDUSSCGKSA-N 1 1 259.397 3.155 20 30 CGEDMO CO[C@H]1CC[N@@H+](CCCCC(C)(C)C#N)[C@H](C)C1 ZINC000302338554 373853964 /nfs/dbraw/zinc/85/39/64/373853964.db2.gz JVRXHZSXCPUORS-KGLIPLIRSA-N 1 1 252.402 3.206 20 30 CGEDMO Cc1ncccc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000180030757 373956124 /nfs/dbraw/zinc/95/61/24/373956124.db2.gz JALHECKMDZBVEQ-UHFFFAOYSA-N 1 1 277.371 3.426 20 30 CGEDMO C=CC[N@H+](CC(=O)N(CC)CC(=C)C)CC1CCCCC1 ZINC000303435985 374018856 /nfs/dbraw/zinc/01/88/56/374018856.db2.gz GESVFECWKVKKOP-UHFFFAOYSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCC1(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CCCC1 ZINC000449964891 373978929 /nfs/dbraw/zinc/97/89/29/373978929.db2.gz KPTNXXHLXKHZIV-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC1(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1 ZINC000449989892 373980585 /nfs/dbraw/zinc/98/05/85/373980585.db2.gz VNRFDDLCMQIYNQ-LSDHHAIUSA-N 1 1 278.440 3.064 20 30 CGEDMO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2ccc(C#N)s2)C1(C)C ZINC000180251956 373983796 /nfs/dbraw/zinc/98/37/96/373983796.db2.gz UAGJZUYTNHWFHN-UKRRQHHQSA-N 1 1 278.421 3.255 20 30 CGEDMO N#CC1(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)CCC1 ZINC000450291770 374044849 /nfs/dbraw/zinc/04/48/49/374044849.db2.gz YRIIYLFGSKNKHU-KRWDZBQOSA-N 1 1 284.403 3.361 20 30 CGEDMO N#CC1(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)CCC1 ZINC000450291770 374044854 /nfs/dbraw/zinc/04/48/54/374044854.db2.gz YRIIYLFGSKNKHU-KRWDZBQOSA-N 1 1 284.403 3.361 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H]([C@H](C)O)C2)cc1Cl ZINC000180864606 374055264 /nfs/dbraw/zinc/05/52/64/374055264.db2.gz LVXXLOKFLQDVPM-JSGCOSHPSA-N 1 1 295.810 3.108 20 30 CGEDMO COc1ccccc1C[C@@H]1CCC[N@H+]1CC1(C#N)CCC1 ZINC000450319582 374057509 /nfs/dbraw/zinc/05/75/09/374057509.db2.gz RAZLWTZAYXSTJT-INIZCTEOSA-N 1 1 284.403 3.396 20 30 CGEDMO C[C@@H](c1ccccc1)[C@H](O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000450430507 374122696 /nfs/dbraw/zinc/12/26/96/374122696.db2.gz SGLSHUKLDNFUQO-DOTOQJQBSA-N 1 1 288.435 3.413 20 30 CGEDMO CCC(CC)[N@@H+](CC)C[C@@H](O)c1ccc(C#N)cc1 ZINC000289496088 197376517 /nfs/dbraw/zinc/37/65/17/197376517.db2.gz SYOJHEWLDQJIIA-MRXNPFEDSA-N 1 1 260.381 3.102 20 30 CGEDMO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1cccc(O)c1 ZINC000181508863 374132626 /nfs/dbraw/zinc/13/26/26/374132626.db2.gz CGHMYMHJKBNIFH-GFCCVEGCSA-N 1 1 282.343 3.123 20 30 CGEDMO N#CC1(C[N@H+](CCCO)[C@H]2CCCc3ccccc32)CCC1 ZINC000450467715 374151733 /nfs/dbraw/zinc/15/17/33/374151733.db2.gz JPQKWGZBUVPKRB-SFHVURJKSA-N 1 1 298.430 3.442 20 30 CGEDMO CC[C@@H]1CCCC[N@@H+]1CCN[C@@H](C)c1ccc(C#N)cc1 ZINC000181744993 374165379 /nfs/dbraw/zinc/16/53/79/374165379.db2.gz YIMLPWAWXRSDGO-MAUKXSAKSA-N 1 1 285.435 3.473 20 30 CGEDMO CC[C@@H]1CCCC[N@H+]1CCN[C@@H](C)c1ccc(C#N)cc1 ZINC000181744993 374165384 /nfs/dbraw/zinc/16/53/84/374165384.db2.gz YIMLPWAWXRSDGO-MAUKXSAKSA-N 1 1 285.435 3.473 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](CNc2c(C#N)cnc3ccccc32)C1 ZINC000314708899 374321190 /nfs/dbraw/zinc/32/11/90/374321190.db2.gz BOFMNKIBVZQBFF-AWEZNQCLSA-N 1 1 294.402 3.249 20 30 CGEDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000314782507 374321592 /nfs/dbraw/zinc/32/15/92/374321592.db2.gz ITCSTSUQDDOBMS-PBHICJAKSA-N 1 1 299.418 3.397 20 30 CGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCC(C)(C)CC1 ZINC000316579493 374334749 /nfs/dbraw/zinc/33/47/49/374334749.db2.gz RYEVNJVBOKGTDM-AWEZNQCLSA-N 1 1 299.418 3.397 20 30 CGEDMO C[C@H](C[N@H+](C)Cc1ccccc1)NCc1cc(C#N)cs1 ZINC000182682726 374315140 /nfs/dbraw/zinc/31/51/40/374315140.db2.gz WYCPNFWLUNWKPC-CQSZACIVSA-N 1 1 299.443 3.230 20 30 CGEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NCc1cc(C#N)cs1 ZINC000182682726 374315144 /nfs/dbraw/zinc/31/51/44/374315144.db2.gz WYCPNFWLUNWKPC-CQSZACIVSA-N 1 1 299.443 3.230 20 30 CGEDMO C[C@@H]([NH2+]Cc1cnc(C2CC2)o1)c1ccc(C#N)cc1 ZINC000453355446 374444377 /nfs/dbraw/zinc/44/43/77/374444377.db2.gz MGJWQFCGGORZQI-LLVKDONJSA-N 1 1 267.332 3.274 20 30 CGEDMO CC[C@@H]1C[C@H](C)C[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000330956645 374492836 /nfs/dbraw/zinc/49/28/36/374492836.db2.gz VABIQMUCZHBJPQ-WCQYABFASA-N 1 1 291.420 3.069 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000185044697 374579481 /nfs/dbraw/zinc/57/94/81/374579481.db2.gz YWYRUVWCFNZOEH-DOTOQJQBSA-N 1 1 286.419 3.104 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000185044697 374579487 /nfs/dbraw/zinc/57/94/87/374579487.db2.gz YWYRUVWCFNZOEH-DOTOQJQBSA-N 1 1 286.419 3.104 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2cccnc2)c(F)c1 ZINC000334209698 206194132 /nfs/dbraw/zinc/19/41/32/206194132.db2.gz DJDGYTHCFONUJU-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2cccnc2)c(F)c1 ZINC000334209698 206194135 /nfs/dbraw/zinc/19/41/35/206194135.db2.gz DJDGYTHCFONUJU-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000185598410 374695516 /nfs/dbraw/zinc/69/55/16/374695516.db2.gz XUAQLYHHXNGUAY-SWLSCSKDSA-N 1 1 296.374 3.229 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2C2CCOCC2)c(F)c1 ZINC000334202121 374656973 /nfs/dbraw/zinc/65/69/73/374656973.db2.gz RSQQZYKLEVZBDV-QGZVFWFLSA-N 1 1 288.366 3.088 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)o1 ZINC000334371748 374691215 /nfs/dbraw/zinc/69/12/15/374691215.db2.gz XRDKYHQZLGQNBG-UHFFFAOYSA-N 1 1 289.338 3.312 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)o1 ZINC000334371748 374691221 /nfs/dbraw/zinc/69/12/21/374691221.db2.gz XRDKYHQZLGQNBG-UHFFFAOYSA-N 1 1 289.338 3.312 20 30 CGEDMO CC1(C)CC[C@@H](C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)O1 ZINC000186795779 374919996 /nfs/dbraw/zinc/91/99/96/374919996.db2.gz QYGFMMDEJVUWKR-KRWDZBQOSA-N 1 1 284.403 3.480 20 30 CGEDMO CC[N@@H+](Cc1ccc(Cl)cc1C#N)C[C@H]1CCCO1 ZINC000186893804 374934835 /nfs/dbraw/zinc/93/48/35/374934835.db2.gz VJSXRVCLBZKRII-OAHLLOKOSA-N 1 1 278.783 3.213 20 30 CGEDMO CC[N@H+](Cc1ccc(Cl)cc1C#N)C[C@H]1CCCO1 ZINC000186893804 374934842 /nfs/dbraw/zinc/93/48/42/374934842.db2.gz VJSXRVCLBZKRII-OAHLLOKOSA-N 1 1 278.783 3.213 20 30 CGEDMO CC1(C)[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3C#N)C[C@@H]21 ZINC000187082602 374967501 /nfs/dbraw/zinc/96/75/01/374967501.db2.gz JDWOQPCHFRONMI-OKILXGFUSA-N 1 1 260.768 3.299 20 30 CGEDMO CC1(C)[C@@H]2C[N@H+](Cc3ccc(Cl)cc3C#N)C[C@@H]21 ZINC000187082602 374967502 /nfs/dbraw/zinc/96/75/02/374967502.db2.gz JDWOQPCHFRONMI-OKILXGFUSA-N 1 1 260.768 3.299 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000466649774 374967572 /nfs/dbraw/zinc/96/75/72/374967572.db2.gz ZLZMZHCYTWVKMB-JKSUJKDBSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+](C)CCOc1ccc(OCCC)cc1 ZINC000467297031 374974480 /nfs/dbraw/zinc/97/44/80/374974480.db2.gz CJYNLOPWBIOMHS-UHFFFAOYSA-N 1 1 263.381 3.362 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](CC(=O)OC)[C@H](C)CC)cc1 ZINC000467515294 374976120 /nfs/dbraw/zinc/97/61/20/374976120.db2.gz YCNCMEZKSLWNTO-CQSZACIVSA-N 1 1 291.391 3.025 20 30 CGEDMO C=CCOc1ccc(C[N@H+](CC(=O)OC)[C@H](C)CC)cc1 ZINC000467515294 374976127 /nfs/dbraw/zinc/97/61/27/374976127.db2.gz YCNCMEZKSLWNTO-CQSZACIVSA-N 1 1 291.391 3.025 20 30 CGEDMO C=CCOCCC[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000470867718 375001508 /nfs/dbraw/zinc/00/15/08/375001508.db2.gz YICSRJPZHFWSQZ-GFCCVEGCSA-N 1 1 279.346 3.490 20 30 CGEDMO C=C(C)[C@@H]([NH2+]Cc1cnn(C)c1)c1ccc(F)c(F)c1 ZINC000187372001 375013035 /nfs/dbraw/zinc/01/30/35/375013035.db2.gz ZMENBYQRJLVGFN-OAHLLOKOSA-N 1 1 277.318 3.105 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000472567453 375023882 /nfs/dbraw/zinc/02/38/82/375023882.db2.gz CKDZDKYNRILKFK-NXHRZFHOSA-N 1 1 273.420 3.267 20 30 CGEDMO C=C(C)[C@H]([NH2+]CC(=O)N(CC)CC)c1ccc(F)c(F)c1 ZINC000187758123 375088981 /nfs/dbraw/zinc/08/89/81/375088981.db2.gz WKEQJPCZEAWOHI-INIZCTEOSA-N 1 1 296.361 3.040 20 30 CGEDMO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000483708678 375182934 /nfs/dbraw/zinc/18/29/34/375182934.db2.gz DGPUIQJEKQHNGL-QGZVFWFLSA-N 1 1 299.414 3.092 20 30 CGEDMO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000483708678 375182939 /nfs/dbraw/zinc/18/29/39/375182939.db2.gz DGPUIQJEKQHNGL-QGZVFWFLSA-N 1 1 299.414 3.092 20 30 CGEDMO CC#CC[N@H+](Cc1csc(Br)c1)C1CC1 ZINC000480888448 375160453 /nfs/dbraw/zinc/16/04/53/375160453.db2.gz XXQYKDLUTKTAKO-UHFFFAOYSA-N 1 1 284.222 3.498 20 30 CGEDMO CC#CC[N@@H+](Cc1csc(Br)c1)C1CC1 ZINC000480888448 375160458 /nfs/dbraw/zinc/16/04/58/375160458.db2.gz XXQYKDLUTKTAKO-UHFFFAOYSA-N 1 1 284.222 3.498 20 30 CGEDMO C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000335144698 375172004 /nfs/dbraw/zinc/17/20/04/375172004.db2.gz MVPUIIJPEYIBRG-APPDUMDISA-N 1 1 282.318 3.309 20 30 CGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCCC[C@@H](C)C1 ZINC000187921923 375117210 /nfs/dbraw/zinc/11/72/10/375117210.db2.gz RBARHSZNYZEUBG-CQSZACIVSA-N 1 1 288.391 3.068 20 30 CGEDMO COC[C@H]([NH2+]CC#Cc1ccccc1)c1ccc(F)cc1 ZINC000484070898 375187239 /nfs/dbraw/zinc/18/72/39/375187239.db2.gz GFPBNGXJOZQZQE-SFHVURJKSA-N 1 1 283.346 3.155 20 30 CGEDMO CC[N@@H+](CCOCC(F)F)[C@H](C)c1ccc(C#N)cc1 ZINC000188871682 375284120 /nfs/dbraw/zinc/28/41/20/375284120.db2.gz IJKZGIKBZQEAAC-GFCCVEGCSA-N 1 1 282.334 3.223 20 30 CGEDMO COCC[N@@H+](Cc1ccc(CC#N)cc1)[C@H]1CCC[C@@H]1C ZINC000488019994 375296167 /nfs/dbraw/zinc/29/61/67/375296167.db2.gz AZYGFGGCINRORC-YJBOKZPZSA-N 1 1 286.419 3.390 20 30 CGEDMO Cn1cc(C[NH2+][C@@H](c2ccco2)c2ccccc2)cc1C#N ZINC000189584931 375417863 /nfs/dbraw/zinc/41/78/63/375417863.db2.gz NSTKHULKAKORQG-GOSISDBHSA-N 1 1 291.354 3.369 20 30 CGEDMO CC(C)(C)C[N@@H+](C/C=C/c1ccncc1)CCC#N ZINC000494921547 375496179 /nfs/dbraw/zinc/49/61/79/375496179.db2.gz JDSMAKZVJJBLAI-GQCTYLIASA-N 1 1 257.381 3.357 20 30 CGEDMO CC(C)(C)C[N@H+](C/C=C/c1ccncc1)CCC#N ZINC000494921547 375496182 /nfs/dbraw/zinc/49/61/82/375496182.db2.gz JDSMAKZVJJBLAI-GQCTYLIASA-N 1 1 257.381 3.357 20 30 CGEDMO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)c(F)c2)on1 ZINC000335886046 375513228 /nfs/dbraw/zinc/51/32/28/375513228.db2.gz UQMLTNQILZVQED-HNNXBMFYSA-N 1 1 285.322 3.331 20 30 CGEDMO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)c(F)c2)on1 ZINC000335886046 375513233 /nfs/dbraw/zinc/51/32/33/375513233.db2.gz UQMLTNQILZVQED-HNNXBMFYSA-N 1 1 285.322 3.331 20 30 CGEDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1nc(C#N)cs1 ZINC000336012525 375617373 /nfs/dbraw/zinc/61/73/73/375617373.db2.gz CDGNXLOLTVKSRI-OCCSQVGLSA-N 1 1 283.400 3.393 20 30 CGEDMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191414969 375626430 /nfs/dbraw/zinc/62/64/30/375626430.db2.gz LZBZIBOYWTUKJU-XJKSGUPXSA-N 1 1 259.397 3.297 20 30 CGEDMO CC1(C)C[N@H+](Cc2ccc(C#N)o2)CC2(CCCC2)O1 ZINC000191226428 375598705 /nfs/dbraw/zinc/59/87/05/375598705.db2.gz CRQGFUKVRQPQKW-UHFFFAOYSA-N 1 1 274.364 3.075 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)o2)CC2(CCCC2)O1 ZINC000191226428 375598714 /nfs/dbraw/zinc/59/87/14/375598714.db2.gz CRQGFUKVRQPQKW-UHFFFAOYSA-N 1 1 274.364 3.075 20 30 CGEDMO CC[N@H+]1C[C@@H](C)N(CC#Cc2ccc(Cl)cc2)C[C@H]1C ZINC000498918036 375629133 /nfs/dbraw/zinc/62/91/33/375629133.db2.gz ZTYZGTUELOHGTG-HUUCEWRRSA-N 1 1 290.838 3.106 20 30 CGEDMO Cn1cc(C[N@@H+](C)CCC2CCCCC2)cc1C#N ZINC000191299140 375607950 /nfs/dbraw/zinc/60/79/50/375607950.db2.gz UNAJTFNNBBNFIE-UHFFFAOYSA-N 1 1 259.397 3.299 20 30 CGEDMO C=CC[N@@H+](C)CCCC(=O)Nc1c(C)cc(C)cc1C ZINC000121226681 542017039 /nfs/dbraw/zinc/01/70/39/542017039.db2.gz NQMFSOFBMYNLIG-UHFFFAOYSA-N 1 1 274.408 3.448 20 30 CGEDMO COCC[N@@H+](Cc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000191905308 375674113 /nfs/dbraw/zinc/67/41/13/375674113.db2.gz WUYKNPUOZGQTLB-UHFFFAOYSA-N 1 1 298.361 3.346 20 30 CGEDMO Cc1cc(C2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)n[nH]1 ZINC000336087157 375674555 /nfs/dbraw/zinc/67/45/55/375674555.db2.gz AMMQVPIWFLSICE-UHFFFAOYSA-N 1 1 298.365 3.109 20 30 CGEDMO C(#Cc1ccccc1)C[N@@H+]1CCc2sccc2C1 ZINC000191900615 375674775 /nfs/dbraw/zinc/67/47/75/375674775.db2.gz ZXFCRGAOLZVOGA-UHFFFAOYSA-N 1 1 253.370 3.158 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCc2sccc2C1 ZINC000191900615 375674779 /nfs/dbraw/zinc/67/47/79/375674779.db2.gz ZXFCRGAOLZVOGA-UHFFFAOYSA-N 1 1 253.370 3.158 20 30 CGEDMO Cc1cc(C[N@H+]2CCCC[C@]2(C)C(N)=O)ccc1C#N ZINC000336092308 375681401 /nfs/dbraw/zinc/68/14/01/375681401.db2.gz HUHZLHKBFGVNAU-MRXNPFEDSA-N 1 1 271.364 3.147 20 30 CGEDMO CN(CC[N@@H+](C)Cc1ccc(C#N)c(F)c1)c1ccccc1 ZINC000192015021 375689292 /nfs/dbraw/zinc/68/92/92/375689292.db2.gz MTZHKDWBFQCEOG-UHFFFAOYSA-N 1 1 297.377 3.266 20 30 CGEDMO C=C(C)C[NH+]1CCC(N[C@@H](C)c2ncccc2CC)CC1 ZINC000507486799 375706799 /nfs/dbraw/zinc/70/67/99/375706799.db2.gz PJFIFFJITPAJKI-HNNXBMFYSA-N 1 1 287.451 3.335 20 30 CGEDMO C=C(C)CC[N@H+](CCC)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000509670066 375781778 /nfs/dbraw/zinc/78/17/78/375781778.db2.gz IQQHGJRQANIJNI-KFWWJZLASA-N 1 1 251.414 3.478 20 30 CGEDMO C=C(C)CC[N@@H+](CC(=O)OC(C)(C)C)[C@H](C)CC ZINC000509032101 375768760 /nfs/dbraw/zinc/76/87/60/375768760.db2.gz MAFFTYDMIYIOPH-CYBMUJFWSA-N 1 1 255.402 3.395 20 30 CGEDMO C=C(C)CC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000509295297 375777819 /nfs/dbraw/zinc/77/78/19/375777819.db2.gz SOYRQMAJSKOJKC-UHFFFAOYSA-N 1 1 296.798 3.185 20 30 CGEDMO C=C(C)CC[N@H+](C)CC(=O)Nc1ccccc1CC ZINC000509295234 375778121 /nfs/dbraw/zinc/77/81/21/375778121.db2.gz GBOBXZRLLFDNQW-UHFFFAOYSA-N 1 1 260.381 3.086 20 30 CGEDMO C=C(CC)C[N@@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000512212585 375794848 /nfs/dbraw/zinc/79/48/48/375794848.db2.gz LMVQHNBLMKVPLP-UHFFFAOYSA-N 1 1 271.364 3.177 20 30 CGEDMO CC[C@@H](C[NH2+]CCC#N)Oc1cccc(C(F)(F)F)c1 ZINC000520567695 375863796 /nfs/dbraw/zinc/86/37/96/375863796.db2.gz TUMRJDNGMDOHIZ-LBPRGKRZSA-N 1 1 286.297 3.366 20 30 CGEDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000336572883 375841764 /nfs/dbraw/zinc/84/17/64/375841764.db2.gz DXUJIWTWZFUOIK-SKDRFNHKSA-N 1 1 286.272 3.470 20 30 CGEDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC000336572883 375841769 /nfs/dbraw/zinc/84/17/69/375841769.db2.gz DXUJIWTWZFUOIK-SKDRFNHKSA-N 1 1 286.272 3.470 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3cccnc3)CC2)cc1 ZINC000334269891 206286558 /nfs/dbraw/zinc/28/65/58/206286558.db2.gz DPYOJESSCGAXKW-UHFFFAOYSA-N 1 1 275.355 3.243 20 30 CGEDMO C=CCCCCC[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000193399094 375873320 /nfs/dbraw/zinc/87/33/20/375873320.db2.gz JCIXUNZSKUEPCA-HOTGVXAUSA-N 1 1 293.407 3.150 20 30 CGEDMO C=CCCCCC[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccco1 ZINC000193399094 375873325 /nfs/dbraw/zinc/87/33/25/375873325.db2.gz JCIXUNZSKUEPCA-HOTGVXAUSA-N 1 1 293.407 3.150 20 30 CGEDMO CSC[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000336817192 375972481 /nfs/dbraw/zinc/97/24/81/375972481.db2.gz PDCGYIKIKZJBNO-GFCCVEGCSA-N 1 1 278.396 3.272 20 30 CGEDMO C=CCCC[N@@H+](Cc1ccccc1)[C@H](CO)C(C)C ZINC000531405972 375946068 /nfs/dbraw/zinc/94/60/68/375946068.db2.gz PYJBFFDEJSYRHE-QGZVFWFLSA-N 1 1 261.409 3.472 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](CC1CC1)C(C)C ZINC000535045121 376014259 /nfs/dbraw/zinc/01/42/59/376014259.db2.gz BXMYOKGQRJIJSL-UHFFFAOYSA-N 1 1 258.365 3.187 20 30 CGEDMO C=CCN1CC[C@H]([N@H+](Cc2ccccc2)[C@H](C)CC)C1=O ZINC000337135430 376092620 /nfs/dbraw/zinc/09/26/20/376092620.db2.gz NSDNMNAJXVVIHT-WBVHZDCISA-N 1 1 286.419 3.074 20 30 CGEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](C)C3(CCCCC3)C2)C1=O ZINC000337216056 376142848 /nfs/dbraw/zinc/14/28/48/376142848.db2.gz YXKXEZOBHPJQBM-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C[C@H](NCC[N@@H+](C)C1CCCCC1)c1cccc(C#N)c1 ZINC000537296496 376160385 /nfs/dbraw/zinc/16/03/85/376160385.db2.gz WJALWRGPXYJTAZ-HNNXBMFYSA-N 1 1 285.435 3.473 20 30 CGEDMO C[C@H]([NH2+]CCN(C)C1CCCCC1)c1cccc(C#N)c1 ZINC000537296496 376160387 /nfs/dbraw/zinc/16/03/87/376160387.db2.gz WJALWRGPXYJTAZ-HNNXBMFYSA-N 1 1 285.435 3.473 20 30 CGEDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1cccc(C#N)c1F ZINC000222572195 376239126 /nfs/dbraw/zinc/23/91/26/376239126.db2.gz MPOHCWUYOAGAEK-XJKSGUPXSA-N 1 1 290.382 3.213 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000539464256 376313419 /nfs/dbraw/zinc/31/34/19/376313419.db2.gz FXYPOMHMFJNNPA-HNNXBMFYSA-N 1 1 295.471 3.247 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000540348928 376371518 /nfs/dbraw/zinc/37/15/18/376371518.db2.gz CKSCWLLBQRTJEK-ZIAGYGMSSA-N 1 1 267.413 3.395 20 30 CGEDMO CC[N@@H+](CC1CCC1)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000230316490 376505955 /nfs/dbraw/zinc/50/59/55/376505955.db2.gz YYJZLWDJEVGCGH-ZDUSSCGKSA-N 1 1 285.391 3.007 20 30 CGEDMO Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC(CC#N)CC1 ZINC000542880752 376588009 /nfs/dbraw/zinc/58/80/09/376588009.db2.gz GTGVMGLDUHHJMC-HNNXBMFYSA-N 1 1 299.418 3.256 20 30 CGEDMO CC(C)c1cccc(NC(=O)C[NH+]2CCC(CC#N)CC2)c1 ZINC000542879130 376588021 /nfs/dbraw/zinc/58/80/21/376588021.db2.gz JPVAFKOWNZRFOM-UHFFFAOYSA-N 1 1 299.418 3.374 20 30 CGEDMO C[C@H]1CC[C@@H]([N@@H+](C)CCOc2ccccc2C#N)C1 ZINC000338984334 376611746 /nfs/dbraw/zinc/61/17/46/376611746.db2.gz ZMIADNSOZUMGDA-DZGCQCFKSA-N 1 1 258.365 3.057 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)ccc1C#N ZINC000234999231 376627361 /nfs/dbraw/zinc/62/73/61/376627361.db2.gz VXQDVPPNNLYEPL-HOCLYGCPSA-N 1 1 270.376 3.331 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCCNc1nc(Cl)c(C#N)s1 ZINC000235250443 376637481 /nfs/dbraw/zinc/63/74/81/376637481.db2.gz OEYUVKXNCBQZGT-SNVBAGLBSA-N 1 1 298.843 3.345 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)CC(C)(C)O1 ZINC000235361328 376638951 /nfs/dbraw/zinc/63/89/51/376638951.db2.gz SHRCSBJWBXXBHZ-CYBMUJFWSA-N 1 1 252.402 3.206 20 30 CGEDMO N#CCCOCC[N@H+]1CCCC2(CCCCC2)CC1 ZINC000339117840 376691841 /nfs/dbraw/zinc/69/18/41/376691841.db2.gz IOBKZUICAWQJHH-UHFFFAOYSA-N 1 1 264.413 3.353 20 30 CGEDMO C[N@@H+](Cc1cc(F)cc(F)c1)[C@@H]1CC[C@H](C#N)C1 ZINC000339127481 376696537 /nfs/dbraw/zinc/69/65/37/376696537.db2.gz FPCIJUPELNYAIA-IINYFYTJSA-N 1 1 250.292 3.089 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC000544113566 376705308 /nfs/dbraw/zinc/70/53/08/376705308.db2.gz BXZQYXFUKUAAOI-CYBMUJFWSA-N 1 1 272.392 3.435 20 30 CGEDMO C=CCC(C)(C)C[NH2+]Cc1cn(-c2ccncc2)nc1C ZINC000339418900 376753195 /nfs/dbraw/zinc/75/31/95/376753195.db2.gz XBMUHXFBUOXMAP-UHFFFAOYSA-N 1 1 284.407 3.268 20 30 CGEDMO CC1(C)C[N@@H+](CCCSCC#N)[C@@H]2CCC[C@@H]21 ZINC000339719409 376826144 /nfs/dbraw/zinc/82/61/44/376826144.db2.gz OPNLTJXTWXOFIU-QWHCGFSZSA-N 1 1 252.427 3.144 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000339773929 376840426 /nfs/dbraw/zinc/84/04/26/376840426.db2.gz YUBWBWWPBGIFDX-HNNXBMFYSA-N 1 1 264.413 3.207 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccc2ccccc2c1 ZINC000553996643 376848446 /nfs/dbraw/zinc/84/84/46/376848446.db2.gz FCXIJRLPIHPYNQ-UHFFFAOYSA-N 1 1 255.361 3.474 20 30 CGEDMO C[C@H](C[N@H+](CCC(C)(C)C#N)[C@@H](C)CO)c1ccccc1 ZINC000554279963 376849897 /nfs/dbraw/zinc/84/98/97/376849897.db2.gz TUIUOIPLKBANAH-CVEARBPZSA-N 1 1 288.435 3.413 20 30 CGEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccnc(OC)c1 ZINC000339869158 376871083 /nfs/dbraw/zinc/87/10/83/376871083.db2.gz ZUDVRSJNLNZXFB-UHFFFAOYSA-N 1 1 293.370 3.150 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccnc(OC)c1 ZINC000339869158 376871094 /nfs/dbraw/zinc/87/10/94/376871094.db2.gz ZUDVRSJNLNZXFB-UHFFFAOYSA-N 1 1 293.370 3.150 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@H](OC(F)F)C2)c1 ZINC000557010063 376915787 /nfs/dbraw/zinc/91/57/87/376915787.db2.gz IFCYIIYOBNKBDF-AWEZNQCLSA-N 1 1 283.318 3.065 20 30 CGEDMO CC[N@@H+]1CCCC[C@@H]1CN[C@H](C)c1cccc(C#N)c1 ZINC000245904159 376932858 /nfs/dbraw/zinc/93/28/58/376932858.db2.gz OINWPOJJBWXJKV-RHSMWYFYSA-N 1 1 271.408 3.083 20 30 CGEDMO CC[N@H+]1CCCC[C@@H]1CN[C@H](C)c1cccc(C#N)c1 ZINC000245904159 376932868 /nfs/dbraw/zinc/93/28/68/376932868.db2.gz OINWPOJJBWXJKV-RHSMWYFYSA-N 1 1 271.408 3.083 20 30 CGEDMO C[C@H]1CC[N@@H+](CCCOc2cccc(C#N)c2)[C@H]1C ZINC000246028505 376954568 /nfs/dbraw/zinc/95/45/68/376954568.db2.gz NGLZZHDJYHBELE-KBPBESRZSA-N 1 1 258.365 3.057 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000246025603 376954849 /nfs/dbraw/zinc/95/48/49/376954849.db2.gz OKLIOWDNTOTFJP-IEBWSBKVSA-N 1 1 296.414 3.220 20 30 CGEDMO C#CC[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000246992070 377133036 /nfs/dbraw/zinc/13/30/36/377133036.db2.gz KFTOPNHXEWJVFD-UONOGXRCSA-N 1 1 263.406 3.049 20 30 CGEDMO CN(C)c1cccc(C[N@H+](C)Cc2cccc(C#N)c2F)c1 ZINC000340869179 377297384 /nfs/dbraw/zinc/29/73/84/377297384.db2.gz CTPPVOAUYTZROE-UHFFFAOYSA-N 1 1 297.377 3.395 20 30 CGEDMO CN(C)c1cccc(C[N@@H+](C)Cc2cccc(C#N)c2F)c1 ZINC000340869179 377297391 /nfs/dbraw/zinc/29/73/91/377297391.db2.gz CTPPVOAUYTZROE-UHFFFAOYSA-N 1 1 297.377 3.395 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)CCc1ccncc1C ZINC000563061583 377394837 /nfs/dbraw/zinc/39/48/37/377394837.db2.gz NDZFFHRMXYESFA-UHFFFAOYSA-N 1 1 270.376 3.256 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000566921473 377502354 /nfs/dbraw/zinc/50/23/54/377502354.db2.gz YHGPVKKNVLUMJS-QGZVFWFLSA-N 1 1 288.435 3.322 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000249085612 377459430 /nfs/dbraw/zinc/45/94/30/377459430.db2.gz BQEDSNOAPAZISC-RVKKMQEKSA-N 1 1 294.402 3.399 20 30 CGEDMO CC[C@H]1C[N@H+]([C@H](C)c2cccc(C#N)c2)CCS1 ZINC000249390288 377496525 /nfs/dbraw/zinc/49/65/25/377496525.db2.gz RBMUPXOIKXKFRC-DOMZBBRYSA-N 1 1 260.406 3.447 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)Cc1ccc2ncccc2c1 ZINC000570260287 377534885 /nfs/dbraw/zinc/53/48/85/377534885.db2.gz KRXGBMCKLYBQBW-UHFFFAOYSA-N 1 1 283.419 3.175 20 30 CGEDMO C=CC[N@@H+](C)CCN(CC)Cc1ccc2ncccc2c1 ZINC000570260287 377534896 /nfs/dbraw/zinc/53/48/96/377534896.db2.gz KRXGBMCKLYBQBW-UHFFFAOYSA-N 1 1 283.419 3.175 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)Cc1ccc2ncccc2c1 ZINC000570260287 377534905 /nfs/dbraw/zinc/53/49/05/377534905.db2.gz KRXGBMCKLYBQBW-UHFFFAOYSA-N 1 1 283.419 3.175 20 30 CGEDMO C[C@H](CO)[N@@H+](CC#Cc1cccc(Cl)c1)C1CCCC1 ZINC000570537999 377535936 /nfs/dbraw/zinc/53/59/36/377535936.db2.gz IIEQYPSMXIXHPP-CQSZACIVSA-N 1 1 291.822 3.317 20 30 CGEDMO N#Cc1cccc(OCC[N@H+]2CC[C@@H](c3ccccc3)C2)c1 ZINC000315497270 249098812 /nfs/dbraw/zinc/09/88/12/249098812.db2.gz XRWYQNJJUWTRTR-GOSISDBHSA-N 1 1 292.382 3.427 20 30 CGEDMO C=CCCCC[N@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000573436317 377556055 /nfs/dbraw/zinc/55/60/55/377556055.db2.gz ICSMWLGBOFIHQY-MRXNPFEDSA-N 1 1 288.435 3.494 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000573654438 377557753 /nfs/dbraw/zinc/55/77/53/377557753.db2.gz MEZGUSXCRWKJSO-GOSISDBHSA-N 1 1 265.422 3.212 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](Cc3ccccc3)C2)nc1 ZINC000516781857 249244389 /nfs/dbraw/zinc/24/43/89/249244389.db2.gz YPKMXFHBXHWMGX-QGZVFWFLSA-N 1 1 291.398 3.408 20 30 CGEDMO Cc1cc(N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc(C#N)n1 ZINC000341726595 377614526 /nfs/dbraw/zinc/61/45/26/377614526.db2.gz HYBMOIDQTRIERF-HLLBOEOZSA-N 1 1 298.434 3.103 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccc(OC)cn1 ZINC000342470723 377651925 /nfs/dbraw/zinc/65/19/25/377651925.db2.gz KYMHMZDYGXMFIJ-UHFFFAOYSA-N 1 1 282.387 3.321 20 30 CGEDMO C=CCOc1ccc(CN(C)[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000342671616 377724957 /nfs/dbraw/zinc/72/49/57/377724957.db2.gz AVGNSXCYLKKRQZ-KRWDZBQOSA-N 1 1 288.435 3.166 20 30 CGEDMO Cc1cc(NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc(C#N)n1 ZINC000343069129 377892853 /nfs/dbraw/zinc/89/28/53/377892853.db2.gz OXTNMTHIHZMMDY-SFHVURJKSA-N 1 1 298.434 3.471 20 30 CGEDMO Cc1ccc(C#N)c(SCC[N@H+](C)Cc2ccccc2)n1 ZINC000343077710 377896396 /nfs/dbraw/zinc/89/63/96/377896396.db2.gz DIXIHOCWCXSJIP-UHFFFAOYSA-N 1 1 297.427 3.486 20 30 CGEDMO C[C@H](CNCc1ccc(C#N)cc1F)[N@H+]1CCCC[C@@H]1C ZINC000343281588 377946496 /nfs/dbraw/zinc/94/64/96/377946496.db2.gz FEILWQIEXRLXNR-UONOGXRCSA-N 1 1 289.398 3.050 20 30 CGEDMO C[C@H](C[NH2+]Cc1ccc(C#N)cc1F)N1CCCC[C@@H]1C ZINC000343281588 377946498 /nfs/dbraw/zinc/94/64/98/377946498.db2.gz FEILWQIEXRLXNR-UONOGXRCSA-N 1 1 289.398 3.050 20 30 CGEDMO N#CC1(C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)CC1 ZINC000343321720 377951823 /nfs/dbraw/zinc/95/18/23/377951823.db2.gz ONXVPOAGBDJDJY-QGZVFWFLSA-N 1 1 284.403 3.014 20 30 CGEDMO N#CC1(C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)CC1 ZINC000343321720 377951831 /nfs/dbraw/zinc/95/18/31/377951831.db2.gz ONXVPOAGBDJDJY-QGZVFWFLSA-N 1 1 284.403 3.014 20 30 CGEDMO CC(C)OCCC[N@@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000264028495 377954145 /nfs/dbraw/zinc/95/41/45/377954145.db2.gz LVFSBMVGZXDQBD-AWEZNQCLSA-N 1 1 260.381 3.366 20 30 CGEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(CC#N)cc2)C1(C)C ZINC000343524281 378006773 /nfs/dbraw/zinc/00/67/73/378006773.db2.gz JGKLXSNXPDMCQP-IAGOWNOFSA-N 1 1 286.419 3.388 20 30 CGEDMO CC(C)c1cccc(NC(=[NH2+])NC[C@@H](C)N(C)C2CC2)c1 ZINC000264289319 377972474 /nfs/dbraw/zinc/97/24/74/377972474.db2.gz PMJVGQUBCKMEAE-CYBMUJFWSA-N 1 1 288.439 3.019 20 30 CGEDMO Cc1ccnc(N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1C#N ZINC000343440770 377979653 /nfs/dbraw/zinc/97/96/53/377979653.db2.gz QYRANDJGIRJSAL-VNHYZAJKSA-N 1 1 286.423 3.040 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000343592030 378032446 /nfs/dbraw/zinc/03/24/46/378032446.db2.gz RSPZQKDNDANZCY-MRXNPFEDSA-N 1 1 290.382 3.219 20 30 CGEDMO C[C@H]([N@@H+](C)Cc1ccc(OCC#N)cc1)C1(C)CC1 ZINC000267762443 378043187 /nfs/dbraw/zinc/04/31/87/378043187.db2.gz RDPYMZGJMMJMTC-ZDUSSCGKSA-N 1 1 258.365 3.209 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000268632168 378084334 /nfs/dbraw/zinc/08/43/34/378084334.db2.gz KQSIWTJTIPPWEZ-SWLSCSKDSA-N 1 1 251.345 3.146 20 30 CGEDMO CCC[C@H]1[C@@H](C)CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000578334742 378060011 /nfs/dbraw/zinc/06/00/11/378060011.db2.gz WUONBJYBYXIUHX-BBRMVZONSA-N 1 1 257.381 3.354 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccsc2)nc1 ZINC000578450499 378071855 /nfs/dbraw/zinc/07/18/55/378071855.db2.gz CLIHDRSSTQMLGG-OAHLLOKOSA-N 1 1 269.373 3.352 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccsc2)nc1 ZINC000578450499 378071857 /nfs/dbraw/zinc/07/18/57/378071857.db2.gz CLIHDRSSTQMLGG-OAHLLOKOSA-N 1 1 269.373 3.352 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@H](CC)CC1 ZINC000343911921 378132915 /nfs/dbraw/zinc/13/29/15/378132915.db2.gz FGALOPCJKOGQBP-HOTGVXAUSA-N 1 1 278.440 3.088 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3ccncc3)C2)s1 ZINC000579241023 378143119 /nfs/dbraw/zinc/14/31/19/378143119.db2.gz CKQGTHMTOKMJON-ZDUSSCGKSA-N 1 1 269.373 3.004 20 30 CGEDMO CC[C@H](C)[C@@H](C)[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000268656972 378086713 /nfs/dbraw/zinc/08/67/13/378086713.db2.gz HOXSAEJXYRWVRI-PMUMKWKESA-N 1 1 286.419 3.491 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000343774443 378088258 /nfs/dbraw/zinc/08/82/58/378088258.db2.gz CGSVWSOYCBUFIQ-GFCCVEGCSA-N 1 1 299.340 3.032 20 30 CGEDMO CCC[N@@H+](CCCCC#N)CCN1CCCCCC1 ZINC000344080809 378157331 /nfs/dbraw/zinc/15/73/31/378157331.db2.gz ZNXOOXDBUAAYNZ-UHFFFAOYSA-N 1 1 265.445 3.268 20 30 CGEDMO CCCN(CCCCC#N)CC[NH+]1CCCCCC1 ZINC000344080809 378157332 /nfs/dbraw/zinc/15/73/32/378157332.db2.gz ZNXOOXDBUAAYNZ-UHFFFAOYSA-N 1 1 265.445 3.268 20 30 CGEDMO C(#Cc1ccccc1)C[N@@H+]1CCCc2occc2C1 ZINC000344283305 378166516 /nfs/dbraw/zinc/16/65/16/378166516.db2.gz PSFKHHKGRRMOMR-UHFFFAOYSA-N 1 1 251.329 3.080 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCCc2occc2C1 ZINC000344283305 378166521 /nfs/dbraw/zinc/16/65/21/378166521.db2.gz PSFKHHKGRRMOMR-UHFFFAOYSA-N 1 1 251.329 3.080 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CCCn1c2ccccc2[nH]c1=O ZINC000580146082 378228488 /nfs/dbraw/zinc/22/84/88/378228488.db2.gz QBBCGQKZXPJIRH-CQSZACIVSA-N 1 1 285.391 3.173 20 30 CGEDMO CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C(C)C ZINC000582189461 378291153 /nfs/dbraw/zinc/29/11/53/378291153.db2.gz QKLZKFHCXWOWTG-UHFFFAOYSA-N 1 1 293.798 3.271 20 30 CGEDMO CCCC[N@@H+](C)C[C@H](C)Nc1cc(C(C)=O)ccc1C#N ZINC000584015470 378367001 /nfs/dbraw/zinc/36/70/01/378367001.db2.gz ISQBSOBJUTUWTN-ZDUSSCGKSA-N 1 1 287.407 3.293 20 30 CGEDMO C#CCCC[N@H+](C)Cc1ccc(Br)s1 ZINC000270983261 378421680 /nfs/dbraw/zinc/42/16/80/378421680.db2.gz CODQJQJBQYHRSI-UHFFFAOYSA-N 1 1 272.211 3.356 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)C[C@@H](OC)C1CCOCC1 ZINC000637929109 378635516 /nfs/dbraw/zinc/63/55/16/378635516.db2.gz IEDMXYCCLMPWTO-GOSISDBHSA-N 1 1 289.419 3.116 20 30 CGEDMO C=C(CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000346779141 378687867 /nfs/dbraw/zinc/68/78/67/378687867.db2.gz MSVWBGJOLUTUFR-ZMSDIMECSA-N 1 1 258.409 3.018 20 30 CGEDMO C=C(CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000346779141 378687874 /nfs/dbraw/zinc/68/78/74/378687874.db2.gz MSVWBGJOLUTUFR-ZMSDIMECSA-N 1 1 258.409 3.018 20 30 CGEDMO C=C(C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@@H]1C)c1ccccc1 ZINC000346779141 378687883 /nfs/dbraw/zinc/68/78/83/378687883.db2.gz MSVWBGJOLUTUFR-ZMSDIMECSA-N 1 1 258.409 3.018 20 30 CGEDMO C=C(CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000346779138 378688091 /nfs/dbraw/zinc/68/80/91/378688091.db2.gz MSVWBGJOLUTUFR-YQQAZPJKSA-N 1 1 258.409 3.018 20 30 CGEDMO C=C(CN[C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000346779138 378688097 /nfs/dbraw/zinc/68/80/97/378688097.db2.gz MSVWBGJOLUTUFR-YQQAZPJKSA-N 1 1 258.409 3.018 20 30 CGEDMO C=C(C[NH2+][C@@H]1C[C@H](C)N(C)C[C@@H]1C)c1ccccc1 ZINC000346779138 378688101 /nfs/dbraw/zinc/68/81/01/378688101.db2.gz MSVWBGJOLUTUFR-YQQAZPJKSA-N 1 1 258.409 3.018 20 30 CGEDMO C=C(Cl)CN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272812571 378708184 /nfs/dbraw/zinc/70/81/84/378708184.db2.gz NQZLRKLRJFPVOP-GDBMZVCRSA-N 1 1 278.827 3.239 20 30 CGEDMO C=CCOCCC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000348059575 378770870 /nfs/dbraw/zinc/77/08/70/378770870.db2.gz WJJINNXYPIIRJE-HNNXBMFYSA-N 1 1 289.375 3.145 20 30 CGEDMO N#Cc1cccc(OCC[N@H+]2CCCC3(CCC3)C2)c1 ZINC000348172524 378822188 /nfs/dbraw/zinc/82/21/88/378822188.db2.gz XXEKBEZQCNQECL-UHFFFAOYSA-N 1 1 270.376 3.203 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)Cc1cnc(C)cn1 ZINC000348207862 378840307 /nfs/dbraw/zinc/84/03/07/378840307.db2.gz ZKLGDSDYVBCXFD-UHFFFAOYSA-N 1 1 267.376 3.363 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1cnc(C)cn1 ZINC000348207862 378840311 /nfs/dbraw/zinc/84/03/11/378840311.db2.gz ZKLGDSDYVBCXFD-UHFFFAOYSA-N 1 1 267.376 3.363 20 30 CGEDMO C=C(C)[C@@H]([NH2+]Cc1cnn(C)c1C)c1ccc(F)c(F)c1 ZINC000274759625 378890268 /nfs/dbraw/zinc/89/02/68/378890268.db2.gz GOYVHRUJIREROT-MRXNPFEDSA-N 1 1 291.345 3.414 20 30 CGEDMO C=C(C)CC[N@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000274799842 378898434 /nfs/dbraw/zinc/89/84/34/378898434.db2.gz DZIPNBLNHMZMMY-UHFFFAOYSA-N 1 1 285.366 3.336 20 30 CGEDMO C=C(C)CNC(=O)c1ccc(C[N@H+](CC)CCC)cc1 ZINC000275121883 378940231 /nfs/dbraw/zinc/94/02/31/378940231.db2.gz LALYJPOTTBOFPO-UHFFFAOYSA-N 1 1 274.408 3.224 20 30 CGEDMO N#Cc1ccc(OCC[N@@H+]2CC[C@@H](CC(F)(F)F)C2)cc1 ZINC000278578674 194053054 /nfs/dbraw/zinc/05/30/54/194053054.db2.gz CPJXEIXOHHFNNM-ZDUSSCGKSA-N 1 1 298.308 3.211 20 30 CGEDMO Cc1cccc(C[N@H+](C)[C@H](C)c2ccc(C#N)cc2)n1 ZINC000347363630 218206509 /nfs/dbraw/zinc/20/65/09/218206509.db2.gz MZZZUVGDHUNGAH-CQSZACIVSA-N 1 1 265.360 3.455 20 30 CGEDMO CN(C)CC[N@@H+](CCC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000348896946 379104685 /nfs/dbraw/zinc/10/46/85/379104685.db2.gz VCNSAHCBMPQVQR-UHFFFAOYSA-N 1 1 287.451 3.358 20 30 CGEDMO C[NH+](C)CCN(CCC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000348896946 379104686 /nfs/dbraw/zinc/10/46/86/379104686.db2.gz VCNSAHCBMPQVQR-UHFFFAOYSA-N 1 1 287.451 3.358 20 30 CGEDMO C#CCCC[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000373197486 379238906 /nfs/dbraw/zinc/23/89/06/379238906.db2.gz HUDBZKAUCNXWGG-MRXNPFEDSA-N 1 1 294.402 3.065 20 30 CGEDMO C[N@H+](Cc1ccc(Cl)o1)Cc1cccc(C#N)c1 ZINC000349735668 379363993 /nfs/dbraw/zinc/36/39/93/379363993.db2.gz YLZZOYFQSHTTMN-UHFFFAOYSA-N 1 1 260.724 3.437 20 30 CGEDMO C[N@@H+](Cc1ccc(Cl)o1)Cc1cccc(C#N)c1 ZINC000349735668 379364002 /nfs/dbraw/zinc/36/40/02/379364002.db2.gz YLZZOYFQSHTTMN-UHFFFAOYSA-N 1 1 260.724 3.437 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([NH2+]Cc2csc(-c3ccco3)n2)C1 ZINC000349822106 379402765 /nfs/dbraw/zinc/40/27/65/379402765.db2.gz OMNPFRNCTANTNJ-GHMZBOCLSA-N 1 1 273.361 3.185 20 30 CGEDMO C[C@H]1C[C@H](O)C[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000349851571 379421619 /nfs/dbraw/zinc/42/16/19/379421619.db2.gz HQDHRBFOCBXDRT-KSSFIOAISA-N 1 1 292.382 3.180 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375468195 379498594 /nfs/dbraw/zinc/49/85/94/379498594.db2.gz ZYJPEYBYMHZDCO-CQSZACIVSA-N 1 1 275.396 3.483 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)c2ccccc2)n1 ZINC000279688824 379490357 /nfs/dbraw/zinc/49/03/57/379490357.db2.gz HKMAXYOPIRUBCR-HNNXBMFYSA-N 1 1 267.376 3.099 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)[C@@H](C)c2ccccc2)n1 ZINC000279688824 379490362 /nfs/dbraw/zinc/49/03/62/379490362.db2.gz HKMAXYOPIRUBCR-HNNXBMFYSA-N 1 1 267.376 3.099 20 30 CGEDMO C=CC[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)C1CC1 ZINC000350262690 379532621 /nfs/dbraw/zinc/53/26/21/379532621.db2.gz HPMNPURRJQQQHP-UHFFFAOYSA-N 1 1 253.349 3.227 20 30 CGEDMO C[N@@H+](CCCCC(C)(C)C#N)Cc1cn2c(n1)CCCC2 ZINC000375711710 379503850 /nfs/dbraw/zinc/50/38/50/379503850.db2.gz OBWJIZPVTAPVFN-UHFFFAOYSA-N 1 1 288.439 3.371 20 30 CGEDMO C=CCCCCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000375755563 379509093 /nfs/dbraw/zinc/50/90/93/379509093.db2.gz GLFJMAJMIKFBJB-XYPWUTKMSA-N 1 1 250.430 3.290 20 30 CGEDMO C=CCCCCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000375755563 379509102 /nfs/dbraw/zinc/50/91/02/379509102.db2.gz GLFJMAJMIKFBJB-XYPWUTKMSA-N 1 1 250.430 3.290 20 30 CGEDMO Cn1cc(C[N@H+](Cc2ccc(O)cc2)CC2CC2)cc1C#N ZINC000289445830 197350304 /nfs/dbraw/zinc/35/03/04/197350304.db2.gz MOSZMAJVTCDFLO-UHFFFAOYSA-N 1 1 295.386 3.015 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)N[C@H](CC(C)C)c1ccccc1 ZINC000351029973 379626247 /nfs/dbraw/zinc/62/62/47/379626247.db2.gz SHGWYUIJHWLREB-QGZVFWFLSA-N 1 1 288.435 3.398 20 30 CGEDMO C=CCOc1cccc(CNc2cc(CCOC)cc[nH+]2)c1 ZINC000351549471 379726735 /nfs/dbraw/zinc/72/67/35/379726735.db2.gz AQBBNVMIJKDHET-UHFFFAOYSA-N 1 1 298.386 3.447 20 30 CGEDMO C=CCCCCNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000351677162 379736029 /nfs/dbraw/zinc/73/60/29/379736029.db2.gz CZFVXZQIIUOSIP-MRXNPFEDSA-N 1 1 295.471 3.297 20 30 CGEDMO CCN(CCC#N)C(=O)C[N@H+]1CCCC[C@@H]1CCC(C)C ZINC000351680368 379737570 /nfs/dbraw/zinc/73/75/70/379737570.db2.gz QQEWPFXNAMNNFT-MRXNPFEDSA-N 1 1 293.455 3.039 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1 ZINC000352448275 379818410 /nfs/dbraw/zinc/81/84/10/379818410.db2.gz QVBZBLYCJFOTCI-MSOLQXFVSA-N 1 1 296.414 3.286 20 30 CGEDMO COc1ccccc1C[N@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000282272551 379887756 /nfs/dbraw/zinc/88/77/56/379887756.db2.gz KNQZUVOIZGWBIP-UHFFFAOYSA-N 1 1 296.370 3.207 20 30 CGEDMO COc1ccccc1C[N@@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000282272551 379887761 /nfs/dbraw/zinc/88/77/61/379887761.db2.gz KNQZUVOIZGWBIP-UHFFFAOYSA-N 1 1 296.370 3.207 20 30 CGEDMO CC(C)O[C@@H]1CCC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000404711704 379982213 /nfs/dbraw/zinc/98/22/13/379982213.db2.gz RKRQZSIJSNRIAB-QGZVFWFLSA-N 1 1 272.392 3.142 20 30 CGEDMO CCc1ccc([C@H](C)[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000352853225 380005585 /nfs/dbraw/zinc/00/55/85/380005585.db2.gz MCLZOEPTQMLRKF-NSHDSACASA-N 1 1 271.389 3.428 20 30 CGEDMO CCN1CC[C@@H]([N@H+](C)CCCCC(C)(C)C#N)[C@@H](C)C1 ZINC000409446499 380035213 /nfs/dbraw/zinc/03/52/13/380035213.db2.gz RUYCTULZXLOSKC-JKSUJKDBSA-N 1 1 279.472 3.369 20 30 CGEDMO CCN1CC[C@@H]([N@@H+](C)CCCCC(C)(C)C#N)[C@@H](C)C1 ZINC000409446499 380035223 /nfs/dbraw/zinc/03/52/23/380035223.db2.gz RUYCTULZXLOSKC-JKSUJKDBSA-N 1 1 279.472 3.369 20 30 CGEDMO Cc1cc2cc(C[NH2+]Cc3nc(C#N)cs3)ccc2[nH]1 ZINC000352862188 380009801 /nfs/dbraw/zinc/00/98/01/380009801.db2.gz MVFPJQVZBLEHGH-UHFFFAOYSA-N 1 1 282.372 3.094 20 30 CGEDMO CC(C)[C@@H]1C[N@H+](Cc2cccc(C#N)c2F)CCS1 ZINC000352893168 380021904 /nfs/dbraw/zinc/02/19/04/380021904.db2.gz NDVOSKRNJSQSAO-AWEZNQCLSA-N 1 1 278.396 3.271 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](Cc2cccc(C#N)c2F)CCS1 ZINC000352893168 380021909 /nfs/dbraw/zinc/02/19/09/380021909.db2.gz NDVOSKRNJSQSAO-AWEZNQCLSA-N 1 1 278.396 3.271 20 30 CGEDMO C=C(C)C[N@H+](CCc1ccccn1)Cc1cnn(C(C)C)c1 ZINC000352902815 380029251 /nfs/dbraw/zinc/02/92/51/380029251.db2.gz OGAPTFULXHCCKD-UHFFFAOYSA-N 1 1 298.434 3.480 20 30 CGEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)CC1(O)CCCC1 ZINC000352905029 380030461 /nfs/dbraw/zinc/03/04/61/380030461.db2.gz XLFDDYBOFTVDJG-UHFFFAOYSA-N 1 1 291.439 3.147 20 30 CGEDMO N#CC1(CC[N@H+]2CCC[C@H](n3cccn3)C2)CCCCC1 ZINC000411231806 380135900 /nfs/dbraw/zinc/13/59/00/380135900.db2.gz WUYJUFOZSOFNJJ-INIZCTEOSA-N 1 1 286.423 3.384 20 30 CGEDMO C[C@@H](O)[C@H]1CCCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411252040 380137226 /nfs/dbraw/zinc/13/72/26/380137226.db2.gz JBZUTVSXAGYLEL-HUUCEWRRSA-N 1 1 264.413 3.086 20 30 CGEDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411298054 380139761 /nfs/dbraw/zinc/13/97/61/380139761.db2.gz UYORFFZXNGHCSF-JKSUJKDBSA-N 1 1 278.440 3.476 20 30 CGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](CC)CC(=C)C ZINC000641937413 380124060 /nfs/dbraw/zinc/12/40/60/380124060.db2.gz VYXRXELOUWNHRB-QGZVFWFLSA-N 1 1 289.419 3.053 20 30 CGEDMO C=CC[N@H+](CCC1(O)CCC1)Cc1cccs1 ZINC000411138982 380129833 /nfs/dbraw/zinc/12/98/33/380129833.db2.gz QXPGRQWITURGCU-UHFFFAOYSA-N 1 1 251.395 3.041 20 30 CGEDMO C=CCOc1ccc(C[NH2+][C@@H](C)c2cc3n(n2)CCC3)cc1 ZINC000414139021 380191926 /nfs/dbraw/zinc/19/19/26/380191926.db2.gz HFKVKPUFZRAIKF-AWEZNQCLSA-N 1 1 297.402 3.245 20 30 CGEDMO CCc1cnc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)s1 ZINC000353268646 380199569 /nfs/dbraw/zinc/19/95/69/380199569.db2.gz RKMMMOHDHIWJOO-HNNXBMFYSA-N 1 1 283.400 3.354 20 30 CGEDMO COCC1=CC[N@@H+](CCC2(C#N)CCCCC2)CC1 ZINC000411555495 380151761 /nfs/dbraw/zinc/15/17/61/380151761.db2.gz NDHJDNZRPKMQMV-UHFFFAOYSA-N 1 1 262.397 3.129 20 30 CGEDMO COCC#CC[N@@H+](C(C)C)[C@H](C)c1ccsc1 ZINC000643255272 380246030 /nfs/dbraw/zinc/24/60/30/380246030.db2.gz GCLNIGQECLANNQ-CYBMUJFWSA-N 1 1 251.395 3.169 20 30 CGEDMO C[N@H+]1CCN(Cc2ccccc2C#N)C2(CCCCC2)C1 ZINC000353945553 380247374 /nfs/dbraw/zinc/24/73/74/380247374.db2.gz AMHPDBLKVQLEGU-UHFFFAOYSA-N 1 1 283.419 3.009 20 30 CGEDMO C[N@H+](Cc1c[nH]nc1-c1ccccc1F)CC(C)(C)C#N ZINC000354010307 380276528 /nfs/dbraw/zinc/27/65/28/380276528.db2.gz NBAYJZSRJDAOPR-UHFFFAOYSA-N 1 1 286.354 3.197 20 30 CGEDMO C[N@@H+](Cc1c[nH]nc1-c1ccccc1F)CC(C)(C)C#N ZINC000354010307 380276532 /nfs/dbraw/zinc/27/65/32/380276532.db2.gz NBAYJZSRJDAOPR-UHFFFAOYSA-N 1 1 286.354 3.197 20 30 CGEDMO C[C@H](C#N)C[N@H+](Cc1ccc2ncccc2c1)C1CC1 ZINC000354032900 380290944 /nfs/dbraw/zinc/29/09/44/380290944.db2.gz FXZUXYVPFFNYBR-CYBMUJFWSA-N 1 1 265.360 3.359 20 30 CGEDMO C[C@H](C#N)C[N@@H+](Cc1ccc2ncccc2c1)C1CC1 ZINC000354032900 380290952 /nfs/dbraw/zinc/29/09/52/380290952.db2.gz FXZUXYVPFFNYBR-CYBMUJFWSA-N 1 1 265.360 3.359 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)o1)[C@H](COC)Cc1ccccc1 ZINC000354062376 380306389 /nfs/dbraw/zinc/30/63/89/380306389.db2.gz ZGIUNEAMFPAJLM-INIZCTEOSA-N 1 1 298.386 3.231 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2ncnn2CCC)CCCC1(C)C ZINC000279063948 194268283 /nfs/dbraw/zinc/26/82/83/194268283.db2.gz IYZPNZHRFSHHKU-AWEZNQCLSA-N 1 1 276.428 3.255 20 30 CGEDMO C=CCC[C@H](C)[NH2+]C1(c2noc(C(F)F)n2)CCC1 ZINC000644837987 380523843 /nfs/dbraw/zinc/52/38/43/380523843.db2.gz YRVJYYGBBCNMQL-VIFPVBQESA-N 1 1 271.311 3.331 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000355667922 380744278 /nfs/dbraw/zinc/74/42/78/380744278.db2.gz FDGPCIWUGQKPBZ-KRWDZBQOSA-N 1 1 259.393 3.022 20 30 CGEDMO CO[C@@H](CC(C)C)C[N@@H+](CCC#N)CCC(C)C ZINC000419224085 380783347 /nfs/dbraw/zinc/78/33/47/380783347.db2.gz YYXFHKBKZQRVCD-HNNXBMFYSA-N 1 1 254.418 3.309 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H](CC)OC ZINC000419276232 380791656 /nfs/dbraw/zinc/79/16/56/380791656.db2.gz KIPNTDKAQXFCHP-INIZCTEOSA-N 1 1 279.428 3.267 20 30 CGEDMO N#Cc1c(F)cccc1C[N@@H+]1CCSC[C@@H]1C1CCC1 ZINC000419373074 380820143 /nfs/dbraw/zinc/82/01/43/380820143.db2.gz MDZJYQPKKCLMFN-MRXNPFEDSA-N 1 1 290.407 3.415 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CCSC[C@@H]1C1CCC1 ZINC000419373074 380820146 /nfs/dbraw/zinc/82/01/46/380820146.db2.gz MDZJYQPKKCLMFN-MRXNPFEDSA-N 1 1 290.407 3.415 20 30 CGEDMO OCC[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000421025296 380871654 /nfs/dbraw/zinc/87/16/54/380871654.db2.gz YJDBBRUHUCVEMS-OAHLLOKOSA-N 1 1 291.822 3.176 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](c3ccccc3)C2(C)C)C1=O ZINC000421019055 380871819 /nfs/dbraw/zinc/87/18/19/380871819.db2.gz LVHUDAVRAQHMDU-SJORKVTESA-N 1 1 298.430 3.041 20 30 CGEDMO C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCC[N@H+]1CCCCC#N ZINC000420921828 380860798 /nfs/dbraw/zinc/86/07/98/380860798.db2.gz DNKGXLMLYMUROC-ZIAGYGMSSA-N 1 1 280.412 3.122 20 30 CGEDMO CC[N@@H+](CCCOc1cccc(C#N)c1)C1CCC1 ZINC000357270068 381088987 /nfs/dbraw/zinc/08/89/87/381088987.db2.gz CPSQLNDVJXBHJG-UHFFFAOYSA-N 1 1 258.365 3.202 20 30 CGEDMO C=CCN(C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000357959766 381286936 /nfs/dbraw/zinc/28/69/36/381286936.db2.gz DGXMHZZRKBEIGD-KRWDZBQOSA-N 1 1 298.430 3.076 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)CCC1 ZINC000358207446 381295861 /nfs/dbraw/zinc/29/58/61/381295861.db2.gz ZCLLHPOYPWSEDV-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(CC)C[N@@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000358496016 381311028 /nfs/dbraw/zinc/31/10/28/381311028.db2.gz IYRXRFXPFXVANE-ACJLOTCBSA-N 1 1 265.422 3.383 20 30 CGEDMO C=C(CC)C[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000358503917 381314203 /nfs/dbraw/zinc/31/42/03/381314203.db2.gz FGXIYSBBBIPMIG-UHFFFAOYSA-N 1 1 267.376 3.197 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)C[C@](C)(O)C(F)(F)F ZINC000358626203 381319449 /nfs/dbraw/zinc/31/94/49/381319449.db2.gz BAPFMTURGNJYCY-NSHDSACASA-N 1 1 279.327 3.049 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)C[C@](C)(O)C(F)(F)F ZINC000358626203 381319451 /nfs/dbraw/zinc/31/94/51/381319451.db2.gz BAPFMTURGNJYCY-NSHDSACASA-N 1 1 279.327 3.049 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCCc3occc3C2)ccc1F ZINC000288905158 197190160 /nfs/dbraw/zinc/19/01/60/197190160.db2.gz SVTAMCKAVGJBJA-UHFFFAOYSA-N 1 1 270.307 3.239 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCCc3occc3C2)ccc1F ZINC000288905158 197190161 /nfs/dbraw/zinc/19/01/61/197190161.db2.gz SVTAMCKAVGJBJA-UHFFFAOYSA-N 1 1 270.307 3.239 20 30 CGEDMO C=C(CNC(=O)[C@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000360210498 381479179 /nfs/dbraw/zinc/47/91/79/381479179.db2.gz YYFSJOIMZHDKGP-SFHVURJKSA-N 1 1 294.398 3.119 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)C[C@H]1CCC(C)(C)O1 ZINC000360235985 381492976 /nfs/dbraw/zinc/49/29/76/381492976.db2.gz YGEHBEIXSQPQNV-OAHLLOKOSA-N 1 1 263.381 3.268 20 30 CGEDMO COCC1(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)CCC1 ZINC000361348828 381711425 /nfs/dbraw/zinc/71/14/25/381711425.db2.gz OHMOTUHGPWJNQH-UHFFFAOYSA-N 1 1 296.414 3.464 20 30 CGEDMO Cc1ccncc1C[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000361420843 381739090 /nfs/dbraw/zinc/73/90/90/381739090.db2.gz CWJJHIFLVOJYDX-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO Cc1ccncc1C[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000361420843 381739094 /nfs/dbraw/zinc/73/90/94/381739094.db2.gz CWJJHIFLVOJYDX-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO CC#CC[N@H+](CCc1ccccn1)Cc1ccc(OC)cc1 ZINC000361446122 381748798 /nfs/dbraw/zinc/74/87/98/381748798.db2.gz PXKQUGRTXLEMQD-UHFFFAOYSA-N 1 1 294.398 3.158 20 30 CGEDMO C[N@@H+](CC(=O)Nc1sccc1C#N)[C@H]1CCC(C)(C)C1 ZINC000361470318 381760355 /nfs/dbraw/zinc/76/03/55/381760355.db2.gz RJLJXVQWAYGFRE-LBPRGKRZSA-N 1 1 291.420 3.069 20 30 CGEDMO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCC(C)(C)C1 ZINC000361470536 381761010 /nfs/dbraw/zinc/76/10/10/381761010.db2.gz UEUOXCAHFQOPDD-OAHLLOKOSA-N 1 1 285.391 3.007 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cc(F)cc(Cl)c1 ZINC000361649313 381858935 /nfs/dbraw/zinc/85/89/35/381858935.db2.gz ZRXWJJALSILXFJ-UHFFFAOYSA-N 1 1 257.736 3.114 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@H]1c1ccccc1 ZINC000362179790 381900602 /nfs/dbraw/zinc/90/06/02/381900602.db2.gz GYUACFYUCPZRRZ-DOTOQJQBSA-N 1 1 284.403 3.023 20 30 CGEDMO CCC1(CC)C[N@H+](C[C@@H](C#N)CCC#N)CCS1 ZINC000362247120 381918931 /nfs/dbraw/zinc/91/89/31/381918931.db2.gz ZCIQJYAVPHVEQX-CYBMUJFWSA-N 1 1 265.426 3.038 20 30 CGEDMO CCC1(CC)C[N@@H+](C[C@@H](C#N)CCC#N)CCS1 ZINC000362247120 381918940 /nfs/dbraw/zinc/91/89/40/381918940.db2.gz ZCIQJYAVPHVEQX-CYBMUJFWSA-N 1 1 265.426 3.038 20 30 CGEDMO C[N@H+](Cc1cccc(F)c1C#N)[C@@H](CCO)c1ccccc1 ZINC000362276037 381927052 /nfs/dbraw/zinc/92/70/52/381927052.db2.gz DYIZITAPJLPVTE-SFHVURJKSA-N 1 1 298.361 3.253 20 30 CGEDMO C[N@@H+](Cc1cccc(F)c1C#N)[C@@H](CCO)c1ccccc1 ZINC000362276037 381927057 /nfs/dbraw/zinc/92/70/57/381927057.db2.gz DYIZITAPJLPVTE-SFHVURJKSA-N 1 1 298.361 3.253 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2C[C@H](C)[C@H](C)C2)c1C ZINC000362435814 381990776 /nfs/dbraw/zinc/99/07/76/381990776.db2.gz VPHDVVNRAXMIBY-BETUJISGSA-N 1 1 274.408 3.061 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCc1cccnc1 ZINC000362440805 381993851 /nfs/dbraw/zinc/99/38/51/381993851.db2.gz SDTMUCXCPZWCTG-RTBURBONSA-N 1 1 291.398 3.396 20 30 CGEDMO COC[C@@H]1CCCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000365461617 382286762 /nfs/dbraw/zinc/28/67/62/382286762.db2.gz MIOZOKYQVQUXRM-OAHLLOKOSA-N 1 1 266.429 3.455 20 30 CGEDMO N#CCCCC[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000364344649 382269538 /nfs/dbraw/zinc/26/95/38/382269538.db2.gz ZANAVOSBXSSWBQ-KRWDZBQOSA-N 1 1 270.376 3.202 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000335382325 208326439 /nfs/dbraw/zinc/32/64/39/208326439.db2.gz YRTFJOYFJXQFIV-PBHICJAKSA-N 1 1 288.366 3.088 20 30 CGEDMO C[C@H]1[C@H](Nc2ccc(C#N)cn2)CC[N@H+]1Cc1ccccc1 ZINC000288367627 197060555 /nfs/dbraw/zinc/06/05/55/197060555.db2.gz YGAYZGQSRHLETJ-WMLDXEAASA-N 1 1 292.386 3.028 20 30 CGEDMO COc1cc(C[NH2+]C2(c3ccccc3F)CC2)ccc1C#N ZINC000281727575 195354417 /nfs/dbraw/zinc/35/44/17/195354417.db2.gz PQCHBWVFILNHHW-UHFFFAOYSA-N 1 1 296.345 3.485 20 30 CGEDMO CCC[N@@H+](Cc1cc(C#N)n(C)c1)Cc1ccc(C#N)cc1 ZINC000191240213 130208496 /nfs/dbraw/zinc/20/84/96/130208496.db2.gz RBUHPPOGXWHNJB-UHFFFAOYSA-N 1 1 292.386 3.181 20 30 CGEDMO C[C@@H](c1ccco1)[N@@H+](Cc1cc(C#N)n(C)c1)C1CC1 ZINC000191272957 130212881 /nfs/dbraw/zinc/21/28/81/130212881.db2.gz VHNKGHRWNJNGAH-LBPRGKRZSA-N 1 1 269.348 3.215 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1F)[C@@H](C)CCOC ZINC000411185489 542630013 /nfs/dbraw/zinc/63/00/13/542630013.db2.gz MNNRYVUGBXMQMD-ZDUSSCGKSA-N 1 1 251.345 3.239 20 30 CGEDMO CC(C)[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1)N1CCCC1 ZINC000020200709 391940294 /nfs/dbraw/zinc/94/02/94/391940294.db2.gz BRLZNMZILCBDLJ-QAPCUYQASA-N 1 1 285.435 3.329 20 30 CGEDMO C=CCCC[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000575097162 335064516 /nfs/dbraw/zinc/06/45/16/335064516.db2.gz WGCBWIMKRSAZIV-KRWDZBQOSA-N 1 1 257.377 3.422 20 30 CGEDMO C[C@H](CC#N)[N@H+](C)Cc1cccc(-c2ccccn2)c1 ZINC000093090895 392234731 /nfs/dbraw/zinc/23/47/31/392234731.db2.gz HQPWXOIAAVQCPJ-CQSZACIVSA-N 1 1 265.360 3.483 20 30 CGEDMO C[C@H](CC#N)[N@@H+](C)Cc1cccc(-c2ccccn2)c1 ZINC000093090895 392234735 /nfs/dbraw/zinc/23/47/35/392234735.db2.gz HQPWXOIAAVQCPJ-CQSZACIVSA-N 1 1 265.360 3.483 20 30 CGEDMO N#CCC[N@@H+](Cc1c[nH]nc1-c1ccccc1F)CC1CC1 ZINC000093091417 392234827 /nfs/dbraw/zinc/23/48/27/392234827.db2.gz SHSVHZKNPXLSSC-UHFFFAOYSA-N 1 1 298.365 3.341 20 30 CGEDMO N#CCC[N@H+](Cc1c[nH]nc1-c1ccccc1F)CC1CC1 ZINC000093091417 392234831 /nfs/dbraw/zinc/23/48/31/392234831.db2.gz SHSVHZKNPXLSSC-UHFFFAOYSA-N 1 1 298.365 3.341 20 30 CGEDMO C=CCN(CC=C)[C@@H](C[NH2+][C@H](C)c1nccs1)C(C)C ZINC000093396945 392238101 /nfs/dbraw/zinc/23/81/01/392238101.db2.gz ARDLTAKDFIYORM-CABCVRRESA-N 1 1 293.480 3.492 20 30 CGEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1nc(C)ccc1O ZINC000092504302 392233314 /nfs/dbraw/zinc/23/33/14/392233314.db2.gz IOEIJCSXHGWYQJ-UHFFFAOYSA-N 1 1 293.370 3.156 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1nc(C)ccc1O ZINC000092504302 392233317 /nfs/dbraw/zinc/23/33/17/392233317.db2.gz IOEIJCSXHGWYQJ-UHFFFAOYSA-N 1 1 293.370 3.156 20 30 CGEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)c(F)c2)C1(C)C ZINC000361839312 392340755 /nfs/dbraw/zinc/34/07/55/392340755.db2.gz HVUAXZQHJKEVCZ-JKSUJKDBSA-N 1 1 290.382 3.333 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1ccc(C(=O)OC)cn1 ZINC000286263554 392380244 /nfs/dbraw/zinc/38/02/44/392380244.db2.gz DPBWYXJXAZFQPR-UHFFFAOYSA-N 1 1 276.380 3.046 20 30 CGEDMO C=CC[N@@H+](Cc1c(C)nn(C)c1C)Cc1cccc(C#N)c1 ZINC000155005706 392538783 /nfs/dbraw/zinc/53/87/83/392538783.db2.gz JGQCSCWHWWJCJX-UHFFFAOYSA-N 1 1 294.402 3.097 20 30 CGEDMO C=CC[N@H+](Cc1c(C)nn(C)c1C)Cc1cccc(C#N)c1 ZINC000155005706 392538787 /nfs/dbraw/zinc/53/87/87/392538787.db2.gz JGQCSCWHWWJCJX-UHFFFAOYSA-N 1 1 294.402 3.097 20 30 CGEDMO CC#CCC[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000372074700 392581713 /nfs/dbraw/zinc/58/17/13/392581713.db2.gz YNAWOHVISDITOG-UHFFFAOYSA-N 1 1 260.768 3.238 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000374014438 392667137 /nfs/dbraw/zinc/66/71/37/392667137.db2.gz NXXWPFXNRROFLV-ULQDDVLXSA-N 1 1 281.440 3.391 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000374176934 392671087 /nfs/dbraw/zinc/67/10/87/392671087.db2.gz WRWQMZZNUNGTIN-JONQDZQNSA-N 1 1 251.414 3.214 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC(C)=C(c2ccco2)C1 ZINC000374512895 392680115 /nfs/dbraw/zinc/68/01/15/392680115.db2.gz IKTRHUAMJXOGAO-AWEZNQCLSA-N 1 1 261.365 3.086 20 30 CGEDMO C[N@H+]1CCCC[C@H]1CCC(=O)NC1CCC(C(N)=O)CC1 ZINC000329468220 392682717 /nfs/dbraw/zinc/68/27/17/392682717.db2.gz XEAIMWYFLQQVRS-RUXDESIVSA-N 1 1 295.427 3.301 20 30 CGEDMO C=C[C@@H](C)[NH2+][C@H](C)c1ncc(Br)cc1F ZINC000308982611 392656314 /nfs/dbraw/zinc/65/63/14/392656314.db2.gz ISFCARIBYLRCGN-HTQZYQBOSA-N 1 1 273.149 3.208 20 30 CGEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1C ZINC000181275623 392725706 /nfs/dbraw/zinc/72/57/06/392725706.db2.gz BJHDVMDLUWETSO-UHFFFAOYSA-N 1 1 266.772 3.095 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)Nc1ccc(Cl)cc1C ZINC000181275623 392725714 /nfs/dbraw/zinc/72/57/14/392725714.db2.gz BJHDVMDLUWETSO-UHFFFAOYSA-N 1 1 266.772 3.095 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](Cc1ccco1)Cc1cccnc1 ZINC000182067916 392741381 /nfs/dbraw/zinc/74/13/81/392741381.db2.gz CFUPYUIPSXVLOQ-INIZCTEOSA-N 1 1 286.375 3.004 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](Cc1ccco1)Cc1cccnc1 ZINC000182067916 392741386 /nfs/dbraw/zinc/74/13/86/392741386.db2.gz CFUPYUIPSXVLOQ-INIZCTEOSA-N 1 1 286.375 3.004 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](OCC3CC3)C2)s1 ZINC000375299932 392763321 /nfs/dbraw/zinc/76/33/21/392763321.db2.gz QUCFXZXPKPCDDU-ZDUSSCGKSA-N 1 1 276.405 3.011 20 30 CGEDMO C[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1Br ZINC000181127185 392722036 /nfs/dbraw/zinc/72/20/36/392722036.db2.gz GOPLZEKEPVDGCG-JTQLQIEISA-N 1 1 279.181 3.305 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+](C[C@H](C)O)C1CCCCC1 ZINC000186205740 392778743 /nfs/dbraw/zinc/77/87/43/392778743.db2.gz CTOOKHVRBIPNFX-HNNXBMFYSA-N 1 1 286.419 3.382 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCC[C@@H](c3ccccn3)C2)cc1 ZINC000647951321 392841272 /nfs/dbraw/zinc/84/12/72/392841272.db2.gz RRZGBOWUKZRTDG-QGZVFWFLSA-N 1 1 294.373 3.452 20 30 CGEDMO COc1c(C)cc(C[N@@H+](C)Cc2ccc(C#N)cn2)cc1C ZINC000519703859 392885529 /nfs/dbraw/zinc/88/55/29/392885529.db2.gz LHPMUMNHYNMMJO-UHFFFAOYSA-N 1 1 295.386 3.211 20 30 CGEDMO CC(C)O[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000520224665 392911815 /nfs/dbraw/zinc/91/18/15/392911815.db2.gz SRZGONHIJDRKRV-CQSZACIVSA-N 1 1 278.783 3.211 20 30 CGEDMO COc1cccc(C[N@H+](C)Cc2ccc(C#N)cc2)c1F ZINC000192940345 392864366 /nfs/dbraw/zinc/86/43/66/392864366.db2.gz FJHOHNXCPXJHAJ-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO COc1cccc(C[N@@H+](C)Cc2ccc(C#N)cc2)c1F ZINC000192940345 392864370 /nfs/dbraw/zinc/86/43/70/392864370.db2.gz FJHOHNXCPXJHAJ-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO N#CCCOCC[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000338958371 392937494 /nfs/dbraw/zinc/93/74/94/392937494.db2.gz QSBKCJCXVPSNCY-KRWDZBQOSA-N 1 1 272.392 3.186 20 30 CGEDMO Cc1ccc([C@@H]2CCC[N@H+]2CCOCCC#N)cc1C ZINC000338927375 392936774 /nfs/dbraw/zinc/93/67/74/392936774.db2.gz YTPSNOCHKUXCAF-KRWDZBQOSA-N 1 1 272.392 3.371 20 30 CGEDMO C=CCOCC[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000338938699 392936803 /nfs/dbraw/zinc/93/68/03/392936803.db2.gz LIHMTHHSCHFHII-UHFFFAOYSA-N 1 1 272.392 3.219 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@@H]1c1ccc(OCC)cc1 ZINC000338882424 392933749 /nfs/dbraw/zinc/93/37/49/392933749.db2.gz HSGJYDBUDIFHKX-QGZVFWFLSA-N 1 1 275.392 3.425 20 30 CGEDMO C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@@H]1CCC(C)(C)C1 ZINC000459434069 392943805 /nfs/dbraw/zinc/94/38/05/392943805.db2.gz CKYFJVUAECDGIR-CYBMUJFWSA-N 1 1 287.363 3.477 20 30 CGEDMO C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@@H]1CCC(C)(C)C1 ZINC000459434069 392943810 /nfs/dbraw/zinc/94/38/10/392943810.db2.gz CKYFJVUAECDGIR-CYBMUJFWSA-N 1 1 287.363 3.477 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000459521059 392945145 /nfs/dbraw/zinc/94/51/45/392945145.db2.gz HCESEDSHRXXIRB-AWEZNQCLSA-N 1 1 285.347 3.088 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000459521059 392945155 /nfs/dbraw/zinc/94/51/55/392945155.db2.gz HCESEDSHRXXIRB-AWEZNQCLSA-N 1 1 285.347 3.088 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@H]1Cn1c(C)nc2ccccc21 ZINC000339057346 392943430 /nfs/dbraw/zinc/94/34/30/392943430.db2.gz RTCQTGRGLCKUFN-INIZCTEOSA-N 1 1 299.418 3.012 20 30 CGEDMO C=CCOCC[N@H+](CC)[C@H](C)Cc1ccsc1 ZINC000339100572 392949290 /nfs/dbraw/zinc/94/92/90/392949290.db2.gz PJNRLMPTZCLWIQ-CYBMUJFWSA-N 1 1 253.411 3.204 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000411641783 392983448 /nfs/dbraw/zinc/98/34/48/392983448.db2.gz MHEGLECWAVFRJR-CQSZACIVSA-N 1 1 291.395 3.096 20 30 CGEDMO CO[C@@]1(C)CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411656945 392983958 /nfs/dbraw/zinc/98/39/58/392983958.db2.gz DWYOZBHKYZLGJE-HNNXBMFYSA-N 1 1 264.413 3.351 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C(=O)N(CC)CC)c1ccccc1 ZINC000215621958 392987188 /nfs/dbraw/zinc/98/71/88/392987188.db2.gz NLYAERWRBWMJCB-KRWDZBQOSA-N 1 1 288.435 3.494 20 30 CGEDMO N#CC1(C[N@H+]2CCC[C@@H]2CCc2ccccc2)CC1 ZINC000343144140 393019305 /nfs/dbraw/zinc/01/93/05/393019305.db2.gz RXHMYKYYSJNUDF-MRXNPFEDSA-N 1 1 254.377 3.387 20 30 CGEDMO CC[C@@]1(C)CC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000344211798 393040032 /nfs/dbraw/zinc/04/00/32/393040032.db2.gz FSNHKHIWMLYGOM-SFHVURJKSA-N 1 1 299.418 3.055 20 30 CGEDMO CC(C)C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000466673950 393046732 /nfs/dbraw/zinc/04/67/32/393046732.db2.gz VEYGTLXRHIVXNH-QGZVFWFLSA-N 1 1 299.418 3.397 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](CCc1ccc(F)cc1)C1CC1 ZINC000351179748 393165675 /nfs/dbraw/zinc/16/56/75/393165675.db2.gz FBCPSAZWAJIUQT-KRWDZBQOSA-N 1 1 277.383 3.160 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@H](O)C2)cc1Cl ZINC000349360368 393146209 /nfs/dbraw/zinc/14/62/09/393146209.db2.gz AIOWEFFSTCQBCC-SWLSCSKDSA-N 1 1 295.810 3.108 20 30 CGEDMO COCc1ccccc1/C=C(\C)C[N@H+](C)[C@@H](C)CC#N ZINC000351392855 393188210 /nfs/dbraw/zinc/18/82/10/393188210.db2.gz BILKDJSSHHYJNX-GOFCXVBSSA-N 1 1 272.392 3.470 20 30 CGEDMO COCc1ccccc1/C=C(\C)C[N@@H+](C)[C@@H](C)CC#N ZINC000351392855 393188220 /nfs/dbraw/zinc/18/82/20/393188220.db2.gz BILKDJSSHHYJNX-GOFCXVBSSA-N 1 1 272.392 3.470 20 30 CGEDMO C=C(CNC(=O)C[C@H](C)n1cc[nH+]c1CC)c1ccccc1 ZINC000648904816 393286230 /nfs/dbraw/zinc/28/62/30/393286230.db2.gz VITUNPLOGPYZCO-HNNXBMFYSA-N 1 1 297.402 3.226 20 30 CGEDMO C=CCN(Cc1ccccc1)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000355414793 393313273 /nfs/dbraw/zinc/31/32/73/393313273.db2.gz WWMLVIAOJLHMLZ-IYBDPMFKSA-N 1 1 286.419 3.074 20 30 CGEDMO CCC1(CC)[C@H]([N@H+](C)Cc2nc(C#N)cs2)C[C@@H]1OC ZINC000356132737 393360402 /nfs/dbraw/zinc/36/04/02/393360402.db2.gz WDJPBVAHKVMNMB-OLZOCXBDSA-N 1 1 293.436 3.040 20 30 CGEDMO CCC1(CC)[C@H]([N@@H+](C)Cc2nc(C#N)cs2)C[C@@H]1OC ZINC000356132737 393360408 /nfs/dbraw/zinc/36/04/08/393360408.db2.gz WDJPBVAHKVMNMB-OLZOCXBDSA-N 1 1 293.436 3.040 20 30 CGEDMO C[C@@H]1C[C@@H](Nc2cc(C#N)ccc2C(F)(F)F)CC[N@H+]1C ZINC000475516756 393406336 /nfs/dbraw/zinc/40/63/36/393406336.db2.gz OBENEVYQCOKBSO-PWSUYJOCSA-N 1 1 297.324 3.472 20 30 CGEDMO C=CC[N@@H+](CCc1cncc(C)n1)Cc1ccccc1F ZINC000649494660 393453001 /nfs/dbraw/zinc/45/30/01/393453001.db2.gz UQBKBIRFDONDTE-UHFFFAOYSA-N 1 1 285.366 3.155 20 30 CGEDMO C=CC[N@H+](CCc1cncc(C)n1)Cc1ccccc1F ZINC000649494660 393453008 /nfs/dbraw/zinc/45/30/08/393453008.db2.gz UQBKBIRFDONDTE-UHFFFAOYSA-N 1 1 285.366 3.155 20 30 CGEDMO C[C@H]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2sccc2C#N)C1 ZINC000429568114 393483729 /nfs/dbraw/zinc/48/37/29/393483729.db2.gz NUJHFPSUCYQPCM-WCQYABFASA-N 1 1 291.420 3.069 20 30 CGEDMO CC[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356297192 393412411 /nfs/dbraw/zinc/41/24/11/393412411.db2.gz FBZCXEPGGQKKLA-YPMHNXCESA-N 1 1 263.410 3.415 20 30 CGEDMO C[C@@H]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000429574060 393486554 /nfs/dbraw/zinc/48/65/54/393486554.db2.gz FCJUDGLCRRZFIM-CZUORRHYSA-N 1 1 285.391 3.007 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cc2n(n1)CCCC2 ZINC000649578046 393498066 /nfs/dbraw/zinc/49/80/66/393498066.db2.gz DJYLOHQXKGWIMT-UHFFFAOYSA-N 1 1 285.391 3.043 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1cc2n(n1)CCCC2 ZINC000649578046 393498069 /nfs/dbraw/zinc/49/80/69/393498069.db2.gz DJYLOHQXKGWIMT-UHFFFAOYSA-N 1 1 285.391 3.043 20 30 CGEDMO Cc1cc(C[N@H+](C)CCCOC(C)C)ccc1C#N ZINC000488418345 393505922 /nfs/dbraw/zinc/50/59/22/393505922.db2.gz NHAYWJIMOHGEAD-UHFFFAOYSA-N 1 1 260.381 3.114 20 30 CGEDMO COCC#CC[N@H+](Cc1ccccn1)Cc1ccccc1C ZINC000649620722 393516356 /nfs/dbraw/zinc/51/63/56/393516356.db2.gz QGSJTBGMQXKRPN-UHFFFAOYSA-N 1 1 294.398 3.042 20 30 CGEDMO COCC#CC[N@@H+](Cc1ccccn1)Cc1ccccc1C ZINC000649620722 393516360 /nfs/dbraw/zinc/51/63/60/393516360.db2.gz QGSJTBGMQXKRPN-UHFFFAOYSA-N 1 1 294.398 3.042 20 30 CGEDMO CSC[C@H]1CCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000430196340 393536539 /nfs/dbraw/zinc/53/65/39/393536539.db2.gz LWMOMGWCJLJNAX-NSHDSACASA-N 1 1 266.435 3.195 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](CCO)CC2)c(Cl)c1 ZINC000421005218 393572117 /nfs/dbraw/zinc/57/21/17/393572117.db2.gz AAHBYINQDVUUMS-CYBMUJFWSA-N 1 1 292.810 3.196 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)[C@H]1CC1(C)C ZINC000489428034 393596340 /nfs/dbraw/zinc/59/63/40/393596340.db2.gz OFXRXJZIRZJWNP-ZDUSSCGKSA-N 1 1 280.318 3.390 20 30 CGEDMO COc1ccc(C[N@@H+](C)C2(C)CCCC2)cc1C#N ZINC000490231770 393636284 /nfs/dbraw/zinc/63/62/84/393636284.db2.gz RZMNOPHUJDNHLJ-UHFFFAOYSA-N 1 1 258.365 3.331 20 30 CGEDMO COCCCCc1ccc[nH+]c1NCc1ccc(C#N)o1 ZINC000361007615 393639058 /nfs/dbraw/zinc/63/90/58/393639058.db2.gz AIKLZLVCRKMXIQ-UHFFFAOYSA-N 1 1 285.347 3.127 20 30 CGEDMO C=CCC[C@H](C)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000361053207 393657557 /nfs/dbraw/zinc/65/75/57/393657557.db2.gz QEYOWZICFMIALN-WMLDXEAASA-N 1 1 274.408 3.020 20 30 CGEDMO Cc1ccc2[nH]c(C[NH2+]Cc3ccc(C#N)c(C)c3)nc2c1 ZINC000444002923 393783253 /nfs/dbraw/zinc/78/32/53/393783253.db2.gz LOYIGCIGACPEDQ-UHFFFAOYSA-N 1 1 290.370 3.341 20 30 CGEDMO Cc1ccc2nc(C[NH2+]Cc3ccc(C#N)c(C)c3)[nH]c2c1 ZINC000444002923 393783255 /nfs/dbraw/zinc/78/32/55/393783255.db2.gz LOYIGCIGACPEDQ-UHFFFAOYSA-N 1 1 290.370 3.341 20 30 CGEDMO CC(C)C[C@H](C)[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000445452651 393794876 /nfs/dbraw/zinc/79/48/76/393794876.db2.gz FLWIBGSMIHLCBA-YOEHRIQHSA-N 1 1 272.392 3.366 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCc2ncsc2C1 ZINC000445873639 393833298 /nfs/dbraw/zinc/83/32/98/393833298.db2.gz CHXPEMSOFWXBKY-LLVKDONJSA-N 1 1 269.373 3.134 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCc2ncsc2C1 ZINC000445873639 393833301 /nfs/dbraw/zinc/83/33/01/393833301.db2.gz CHXPEMSOFWXBKY-LLVKDONJSA-N 1 1 269.373 3.134 20 30 CGEDMO COc1cc(C[N@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)ccc1C#N ZINC000449534977 393887273 /nfs/dbraw/zinc/88/72/73/393887273.db2.gz HBHJVCPEZFKURJ-WMZOPIPTSA-N 1 1 282.387 3.187 20 30 CGEDMO C=CCOc1cccc(CN[C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666999489 542835012 /nfs/dbraw/zinc/83/50/12/542835012.db2.gz NMROTBXQTQWJAX-MRXNPFEDSA-N 1 1 286.419 3.016 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(O[C@@H](C)COC)cc1 ZINC000668039821 542962473 /nfs/dbraw/zinc/96/24/73/542962473.db2.gz BOAGOFMRNZZRDE-AWEZNQCLSA-N 1 1 263.381 3.108 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2ccnn2CC(C)C)C1 ZINC000668492531 543019891 /nfs/dbraw/zinc/01/98/91/543019891.db2.gz CPIHYJBODCBLGD-HNNXBMFYSA-N 1 1 261.413 3.327 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)C2(CO)CCC2)cc1Cl ZINC000668801886 543063349 /nfs/dbraw/zinc/06/33/49/543063349.db2.gz BDXIKGARRNSKHM-UHFFFAOYSA-N 1 1 295.810 3.252 20 30 CGEDMO CC[C@@H](C)CN(C)c1ccc(F)cc1C=[NH+]OC ZINC000734747071 572682820 /nfs/dbraw/zinc/68/28/20/572682820.db2.gz WSOGIAAPUFEGSX-LLVKDONJSA-N 1 1 252.333 3.288 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000669694679 543119052 /nfs/dbraw/zinc/11/90/52/543119052.db2.gz DCHVLGXFJFFXTC-HZPDHXFCSA-N 1 1 285.435 3.201 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)c1ccncc1 ZINC000671720954 543181097 /nfs/dbraw/zinc/18/10/97/543181097.db2.gz VOAVCQWAKCFWGJ-CQSZACIVSA-N 1 1 286.375 3.306 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)c1ccncc1 ZINC000671720954 543181099 /nfs/dbraw/zinc/18/10/99/543181099.db2.gz VOAVCQWAKCFWGJ-CQSZACIVSA-N 1 1 286.375 3.306 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000117871270 397655863 /nfs/dbraw/zinc/65/58/63/397655863.db2.gz FEEZZICWZLRBAH-CQSZACIVSA-N 1 1 270.380 3.226 20 30 CGEDMO C=C(C)C[N@@H+](CC)C[C@@H](O)COc1ccccc1C(C)C ZINC000046342241 397628540 /nfs/dbraw/zinc/62/85/40/397628540.db2.gz YXZILUGBRCRDJC-MRXNPFEDSA-N 1 1 291.435 3.448 20 30 CGEDMO C=C1CC[NH+]([C@H](C)C(=O)N(CC)C2CCCCC2)CC1 ZINC000342163011 397684319 /nfs/dbraw/zinc/68/43/19/397684319.db2.gz NLZSSRGBOOZYMW-OAHLLOKOSA-N 1 1 278.440 3.208 20 30 CGEDMO FCCC[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000675885317 543370194 /nfs/dbraw/zinc/37/01/94/543370194.db2.gz PTYJIGIVTCGBJR-OCAPTIKFSA-N 1 1 281.215 3.409 20 30 CGEDMO C=CCC[N@H+]1CCc2sc(Br)cc2C1 ZINC000676709776 543411314 /nfs/dbraw/zinc/41/13/14/543411314.db2.gz MIDFNWMAGCWPBH-UHFFFAOYSA-N 1 1 272.211 3.445 20 30 CGEDMO C=CCC[N@@H+]1CCc2sc(Br)cc2C1 ZINC000676709776 543411315 /nfs/dbraw/zinc/41/13/15/543411315.db2.gz MIDFNWMAGCWPBH-UHFFFAOYSA-N 1 1 272.211 3.445 20 30 CGEDMO CCC#C[C@H](C)[N@H+](CCC)CC(=O)Nc1ccccc1C ZINC000677477157 543450542 /nfs/dbraw/zinc/45/05/42/543450542.db2.gz SNCBYKYQJAQVFO-INIZCTEOSA-N 1 1 286.419 3.447 20 30 CGEDMO CCC#C[C@H](C)[N@@H+](CCC)CC(=O)Nc1ccccc1C ZINC000677477157 543450544 /nfs/dbraw/zinc/45/05/44/543450544.db2.gz SNCBYKYQJAQVFO-INIZCTEOSA-N 1 1 286.419 3.447 20 30 CGEDMO COCC#CC[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000677479518 543451093 /nfs/dbraw/zinc/45/10/93/543451093.db2.gz OCHHMVLZDULXAW-JTQLQIEISA-N 1 1 272.175 3.294 20 30 CGEDMO COCC#CC[N@@H+](C)[C@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000677820262 543468074 /nfs/dbraw/zinc/46/80/74/543468074.db2.gz KSLTWJZHVDXLEQ-MSOLQXFVSA-N 1 1 271.404 3.213 20 30 CGEDMO COCC#CC[N@@H+](C)[C@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000677820264 543468350 /nfs/dbraw/zinc/46/83/50/543468350.db2.gz KSLTWJZHVDXLEQ-ROUUACIJSA-N 1 1 271.404 3.213 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000678715842 543550560 /nfs/dbraw/zinc/55/05/60/543550560.db2.gz FYDNZOBNVVJAEB-SDDRHHMPSA-N 1 1 265.319 3.383 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000678715842 543550561 /nfs/dbraw/zinc/55/05/61/543550561.db2.gz FYDNZOBNVVJAEB-SDDRHHMPSA-N 1 1 265.319 3.383 20 30 CGEDMO C[C@H](CCC#N)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000351435521 298364384 /nfs/dbraw/zinc/36/43/84/298364384.db2.gz YEKVJKWULHGKOP-BRWVUGGUSA-N 1 1 277.456 3.265 20 30 CGEDMO C[C@H](c1ccco1)[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000069067360 165051617 /nfs/dbraw/zinc/05/16/17/165051617.db2.gz GBKAEONKMAJUST-CYBMUJFWSA-N 1 1 297.358 3.173 20 30 CGEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000091081731 165253955 /nfs/dbraw/zinc/25/39/55/165253955.db2.gz QUQDFWCPVWQSCC-MRXNPFEDSA-N 1 1 298.365 3.374 20 30 CGEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000091081731 165253957 /nfs/dbraw/zinc/25/39/57/165253957.db2.gz QUQDFWCPVWQSCC-MRXNPFEDSA-N 1 1 298.365 3.374 20 30 CGEDMO C[C@@H](c1ccccn1)[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000091703558 165270373 /nfs/dbraw/zinc/27/03/73/165270373.db2.gz DUFLVWIDVAFQDM-HNNXBMFYSA-N 1 1 295.386 3.415 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000292062450 287142435 /nfs/dbraw/zinc/14/24/35/287142435.db2.gz CRLFHETTWQNAEM-KBXCAEBGSA-N 1 1 284.403 3.368 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1ccccc1 ZINC000020260966 171118382 /nfs/dbraw/zinc/11/83/82/171118382.db2.gz RFOUDLYWDXNPOY-UHFFFAOYSA-N 1 1 293.370 3.019 20 30 CGEDMO CSCC[C@H](C)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000126420917 287264503 /nfs/dbraw/zinc/26/45/03/287264503.db2.gz BFTYGQQBLJYBRR-ZDUSSCGKSA-N 1 1 278.421 3.010 20 30 CGEDMO CCOC1CC2(C1)CC[N@@H+](Cc1cc(C#N)ccc1F)C2 ZINC000285522605 196312608 /nfs/dbraw/zinc/31/26/08/196312608.db2.gz PCVUXEJGCQIGTR-UHFFFAOYSA-N 1 1 288.366 3.088 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000127466720 287288635 /nfs/dbraw/zinc/28/86/35/287288635.db2.gz MONWDRIVDPDJCT-AWEZNQCLSA-N 1 1 257.362 3.285 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000127466720 287288638 /nfs/dbraw/zinc/28/86/38/287288638.db2.gz MONWDRIVDPDJCT-AWEZNQCLSA-N 1 1 257.362 3.285 20 30 CGEDMO CCc1nc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)cs1 ZINC000049591234 175491016 /nfs/dbraw/zinc/49/10/16/175491016.db2.gz CHHKQAMYFCGDCL-NSHDSACASA-N 1 1 271.389 3.428 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)c1 ZINC000679358619 543626918 /nfs/dbraw/zinc/62/69/18/543626918.db2.gz LBQCSXUOJDBIEI-CZUORRHYSA-N 1 1 263.356 3.431 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)c1 ZINC000679358619 543626919 /nfs/dbraw/zinc/62/69/19/543626919.db2.gz LBQCSXUOJDBIEI-CZUORRHYSA-N 1 1 263.356 3.431 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CC[C@H](C)[C@H](F)C2)c1 ZINC000679358622 543626950 /nfs/dbraw/zinc/62/69/50/543626950.db2.gz LBQCSXUOJDBIEI-XJKSGUPXSA-N 1 1 263.356 3.431 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@H](C)[C@H](F)C2)c1 ZINC000679358622 543626952 /nfs/dbraw/zinc/62/69/52/543626952.db2.gz LBQCSXUOJDBIEI-XJKSGUPXSA-N 1 1 263.356 3.431 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cc2ccccc2nc1OC ZINC000679361646 543630130 /nfs/dbraw/zinc/63/01/30/543630130.db2.gz UFONOSADPDWOER-UHFFFAOYSA-N 1 1 256.349 3.251 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)C[C@H]1COc2ccccc2O1 ZINC000679329572 543619557 /nfs/dbraw/zinc/61/95/57/543619557.db2.gz UPBPNKCVHKJVOA-INIZCTEOSA-N 1 1 299.370 3.150 20 30 CGEDMO C=C(CC)C[N@@H+](Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000679676466 543655438 /nfs/dbraw/zinc/65/54/38/543655438.db2.gz XWAJBSXRZQOTOT-AWEZNQCLSA-N 1 1 287.325 3.378 20 30 CGEDMO C=C(CC)C[N@H+](Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000679676466 543655440 /nfs/dbraw/zinc/65/54/40/543655440.db2.gz XWAJBSXRZQOTOT-AWEZNQCLSA-N 1 1 287.325 3.378 20 30 CGEDMO C=C(C)CN[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000679937970 543669248 /nfs/dbraw/zinc/66/92/48/543669248.db2.gz LLUXRSPKGMJSKT-KRWDZBQOSA-N 1 1 258.409 3.379 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@@]2(C1)c1ccccc1NC2=O ZINC000681698274 543802953 /nfs/dbraw/zinc/80/29/53/543802953.db2.gz COGYMYKMYBQJOH-RDTXWAMCSA-N 1 1 284.403 3.327 20 30 CGEDMO CC(C)([NH2+]CC#Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000683016891 543889064 /nfs/dbraw/zinc/88/90/64/543889064.db2.gz FHFNMXMMMZTJHZ-UHFFFAOYSA-N 1 1 292.382 3.045 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCCC#N)[C@@H](C)CN1Cc1ccccc1 ZINC000347586650 226209746 /nfs/dbraw/zinc/20/97/46/226209746.db2.gz VENGWJAHISCBTM-DLBZAZTESA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@@H]1CN(CCCCC#N)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000347586650 226209750 /nfs/dbraw/zinc/20/97/50/226209750.db2.gz VENGWJAHISCBTM-DLBZAZTESA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@@H]1CN(CCCCC#N)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000347586650 226209754 /nfs/dbraw/zinc/20/97/54/226209754.db2.gz VENGWJAHISCBTM-DLBZAZTESA-N 1 1 285.435 3.275 20 30 CGEDMO N#Cc1cccc(OCC[N@@H+]2CCc3cccc(F)c3C2)c1 ZINC000347965262 226390174 /nfs/dbraw/zinc/39/01/74/226390174.db2.gz XLIGCYFLKRAMJT-UHFFFAOYSA-N 1 1 296.345 3.134 20 30 CGEDMO N#Cc1cccc(OCC[N@H+]2CCc3cccc(F)c3C2)c1 ZINC000347965262 226390175 /nfs/dbraw/zinc/39/01/75/226390175.db2.gz XLIGCYFLKRAMJT-UHFFFAOYSA-N 1 1 296.345 3.134 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000685605827 544088017 /nfs/dbraw/zinc/08/80/17/544088017.db2.gz LPJFEHBDIWZZTB-CQSZACIVSA-N 1 1 269.388 3.344 20 30 CGEDMO C[C@@H]1CC[C@](CO)([N@@H+](C)CCC2(C#N)CCCCC2)C1 ZINC000411574544 262699622 /nfs/dbraw/zinc/69/96/22/262699622.db2.gz WEFHJIRCTUGSJG-WBVHZDCISA-N 1 1 278.440 3.333 20 30 CGEDMO C=CCCn1cc(C[N@H+]2CCC[C@H]2Cc2ccccc2)nn1 ZINC000653482761 419034722 /nfs/dbraw/zinc/03/47/22/419034722.db2.gz FQMDFSIJWMYTBR-SFHVURJKSA-N 1 1 296.418 3.061 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@H](COC)OC ZINC000659817568 418998654 /nfs/dbraw/zinc/99/86/54/418998654.db2.gz KXPBAEATMIXHBL-LLVKDONJSA-N 1 1 289.828 3.051 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cccc(N)c1 ZINC000660225777 419104417 /nfs/dbraw/zinc/10/44/17/419104417.db2.gz REFSFYZNYYQANG-UHFFFAOYSA-N 1 1 256.349 3.093 20 30 CGEDMO C=CCCn1cc(C[N@H+](C(C)C)C2CCCCC2)nn1 ZINC000653577135 419053203 /nfs/dbraw/zinc/05/32/03/419053203.db2.gz CWGQFTSTKWOBFA-UHFFFAOYSA-N 1 1 276.428 3.397 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CCCC[C@H]2CC(C)C)nn1 ZINC000653584625 419054756 /nfs/dbraw/zinc/05/47/56/419054756.db2.gz CVTVDLHJUIOMCE-INIZCTEOSA-N 1 1 276.428 3.255 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@H](c2ccccc2C)C2CC2)nn1 ZINC000653608837 419059428 /nfs/dbraw/zinc/05/94/28/419059428.db2.gz JCEHFAYQWACCJY-SFHVURJKSA-N 1 1 296.418 3.404 20 30 CGEDMO CC#CCN(C)[C@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000660708627 419184673 /nfs/dbraw/zinc/18/46/73/419184673.db2.gz RUIQFXQXEQWXLZ-SNVBAGLBSA-N 1 1 261.756 3.232 20 30 CGEDMO C=CC[N@H+](Cc1ccc(C(F)(F)F)cn1)[C@@H](C)COC ZINC000661240691 419243440 /nfs/dbraw/zinc/24/34/40/419243440.db2.gz QDDWLTVQOMFBSD-NSHDSACASA-N 1 1 288.313 3.123 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(C(F)(F)F)cn1)[C@@H](C)COC ZINC000661240691 419243441 /nfs/dbraw/zinc/24/34/41/419243441.db2.gz QDDWLTVQOMFBSD-NSHDSACASA-N 1 1 288.313 3.123 20 30 CGEDMO C=CC[N@H+](Cc1nc2ccccc2s1)[C@@H](C)COC ZINC000661238933 419243764 /nfs/dbraw/zinc/24/37/64/419243764.db2.gz HVRVELFFPJHWIT-LBPRGKRZSA-N 1 1 276.405 3.319 20 30 CGEDMO C=CC[N@@H+](Cc1nc2ccccc2s1)[C@@H](C)COC ZINC000661238933 419243767 /nfs/dbraw/zinc/24/37/67/419243767.db2.gz HVRVELFFPJHWIT-LBPRGKRZSA-N 1 1 276.405 3.319 20 30 CGEDMO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1noc(CCC)n1 ZINC000661115114 419231849 /nfs/dbraw/zinc/23/18/49/419231849.db2.gz AFYCOWDYMUMVTF-OLZOCXBDSA-N 1 1 263.385 3.247 20 30 CGEDMO C=CCCn1cc(C[NH2+]Cc2ccc(C(F)F)cc2)nn1 ZINC000657438509 419278295 /nfs/dbraw/zinc/27/82/95/419278295.db2.gz WEOLURHNZOMUAL-UHFFFAOYSA-N 1 1 292.333 3.082 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1ccc(C)cc1)C(C)(C)C ZINC000661756125 419294741 /nfs/dbraw/zinc/29/47/41/419294741.db2.gz DAQDLKZOWWZVSW-UHFFFAOYSA-N 1 1 260.381 3.220 20 30 CGEDMO C=CC[N@H+](CC(=O)N(CC(F)(F)F)C(C)C)C(C)(C)C ZINC000661756165 419294918 /nfs/dbraw/zinc/29/49/18/419294918.db2.gz DVOIMBGPFRPEBE-UHFFFAOYSA-N 1 1 294.361 3.072 20 30 CGEDMO C=CC[N@@H+](Cc1cc(F)cc2c1OCOC2)C(C)(C)C ZINC000661755057 419295038 /nfs/dbraw/zinc/29/50/38/419295038.db2.gz HPNHCUFEQZSCIU-UHFFFAOYSA-N 1 1 279.355 3.479 20 30 CGEDMO CCC#C[C@@H](C)[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000662049954 419329208 /nfs/dbraw/zinc/32/92/08/419329208.db2.gz DDHJAOQQZOQORH-ZWNOBZJWSA-N 1 1 286.202 3.418 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N[C@H](C)c1cccs1 ZINC000662080369 419333175 /nfs/dbraw/zinc/33/31/75/419333175.db2.gz PAWUIOUTVUQIOY-MCIONIFRSA-N 1 1 290.432 3.108 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)N(C)Cc1ccccc1 ZINC000662083069 419333235 /nfs/dbraw/zinc/33/32/35/419333235.db2.gz ZLVRAVUHJPJDOO-RYQLBKOJSA-N 1 1 298.430 3.217 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(CC)c1ccccc1 ZINC000662081119 419333409 /nfs/dbraw/zinc/33/34/09/419333409.db2.gz NHUQGVNZCTXCAX-CALCHBBNSA-N 1 1 284.403 3.223 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1noc(-c2ccsc2)n1 ZINC000662082406 419333416 /nfs/dbraw/zinc/33/34/16/419333416.db2.gz ULNRAZAWLPACLS-BETUJISGSA-N 1 1 287.388 3.481 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1noc(-c2ccsc2)n1 ZINC000662082406 419333418 /nfs/dbraw/zinc/33/34/18/419333418.db2.gz ULNRAZAWLPACLS-BETUJISGSA-N 1 1 287.388 3.481 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)NCc1ccc(C)cc1 ZINC000662081639 419333664 /nfs/dbraw/zinc/33/36/64/419333664.db2.gz PUJVJCNPGMPRMU-RYQLBKOJSA-N 1 1 298.430 3.183 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000662089745 419334244 /nfs/dbraw/zinc/33/42/44/419334244.db2.gz DZZWHPKSASCCBP-MCIONIFRSA-N 1 1 295.386 3.317 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C(C)C)C1CCCC1 ZINC000662084652 419334394 /nfs/dbraw/zinc/33/43/94/419334394.db2.gz ULHMEMYRTSBJPM-CALCHBBNSA-N 1 1 290.451 3.349 20 30 CGEDMO C=CCC[C@@H]([NH2+]Cc1ccnn1CC)c1ccco1 ZINC000663470062 419626238 /nfs/dbraw/zinc/62/62/38/419626238.db2.gz NEQVWYRKKXSOTE-CQSZACIVSA-N 1 1 259.353 3.293 20 30 CGEDMO C=CCC[C@H]([NH2+]Cc1ccnn1CC)c1ccco1 ZINC000663470061 419627940 /nfs/dbraw/zinc/62/79/40/419627940.db2.gz NEQVWYRKKXSOTE-AWEZNQCLSA-N 1 1 259.353 3.293 20 30 CGEDMO C=CCCOCCNc1cc(C(F)(F)F)cc(C)[nH+]1 ZINC000663751059 419702189 /nfs/dbraw/zinc/70/21/89/419702189.db2.gz WLZZKEJWKDVNRW-UHFFFAOYSA-N 1 1 274.286 3.413 20 30 CGEDMO COc1ccccc1C[C@H](C)[N@@H+](C)CCC(C)(C)C#N ZINC000088194819 260229434 /nfs/dbraw/zinc/22/94/34/260229434.db2.gz VWHXZVHLYZXMFW-AWEZNQCLSA-N 1 1 274.408 3.498 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000374306280 260260140 /nfs/dbraw/zinc/26/01/40/260260140.db2.gz CRTLLAZYHOFAPH-SJORKVTESA-N 1 1 293.455 3.278 20 30 CGEDMO Cc1ncsc1CC[N@@H+](CCC#N)CCC(C)C ZINC000072691720 260277785 /nfs/dbraw/zinc/27/77/85/260277785.db2.gz YLGHOCQJNCCTDR-UHFFFAOYSA-N 1 1 265.426 3.256 20 30 CGEDMO Cc1ncsc1CC[N@H+](CCC#N)CCC(C)C ZINC000072691720 260277787 /nfs/dbraw/zinc/27/77/87/260277787.db2.gz YLGHOCQJNCCTDR-UHFFFAOYSA-N 1 1 265.426 3.256 20 30 CGEDMO C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCCSCC#N ZINC000080628186 260316991 /nfs/dbraw/zinc/31/69/91/260316991.db2.gz CGWDJNIEALPQKI-GOEBONIOSA-N 1 1 290.432 3.095 20 30 CGEDMO COc1cccc([C@H]2CCC[N@H+]2CCCSCC#N)c1 ZINC000080625873 260317111 /nfs/dbraw/zinc/31/71/11/260317111.db2.gz DOGKYQLUFGCJOQ-MRXNPFEDSA-N 1 1 290.432 3.479 20 30 CGEDMO N#C[C@@H](c1ccccc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000155265864 261100159 /nfs/dbraw/zinc/10/01/59/261100159.db2.gz FEHFOMGFRWJOCP-KRWDZBQOSA-N 1 1 297.427 3.131 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCO[C@@H](C(C)(C)C)C2)cc1 ZINC000448369375 261131316 /nfs/dbraw/zinc/13/13/16/261131316.db2.gz ZXHRVTRPOBRUKK-QGZVFWFLSA-N 1 1 289.419 3.498 20 30 CGEDMO CC#CCC[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000462318969 261166646 /nfs/dbraw/zinc/16/66/46/261166646.db2.gz ZKIOXYYRHOJARZ-HXUWFJFHSA-N 1 1 296.458 3.388 20 30 CGEDMO CC#CCC[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000462318969 261166648 /nfs/dbraw/zinc/16/66/48/261166648.db2.gz ZKIOXYYRHOJARZ-HXUWFJFHSA-N 1 1 296.458 3.388 20 30 CGEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C(C)C)C1CCCCC1 ZINC000102768599 261269524 /nfs/dbraw/zinc/26/95/24/261269524.db2.gz JROBWRCMNCOTQI-OAHLLOKOSA-N 1 1 293.455 3.038 20 30 CGEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)Nc1ccc(C#N)cn1 ZINC000301837609 261342768 /nfs/dbraw/zinc/34/27/68/261342768.db2.gz YJUIIDANANKZTB-UHFFFAOYSA-N 1 1 294.402 3.276 20 30 CGEDMO CCOc1ccc(C[NH+]2CCC(C#N)CC2)cc1OCC ZINC000195334926 262249937 /nfs/dbraw/zinc/24/99/37/262249937.db2.gz CHPJNDCCZHYFQT-UHFFFAOYSA-N 1 1 288.391 3.220 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000365626567 262376255 /nfs/dbraw/zinc/37/62/55/262376255.db2.gz XQPWKVDCUABTKW-CABCVRRESA-N 1 1 276.424 3.350 20 30 CGEDMO C[C@@H](C#N)C[N@H+](Cc1cccc2cccnc21)C1CC1 ZINC000338377391 262529861 /nfs/dbraw/zinc/52/98/61/262529861.db2.gz IEBRKSZAVIUUTQ-ZDUSSCGKSA-N 1 1 265.360 3.359 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](Cc1cccc2cccnc21)C1CC1 ZINC000338377391 262529862 /nfs/dbraw/zinc/52/98/62/262529862.db2.gz IEBRKSZAVIUUTQ-ZDUSSCGKSA-N 1 1 265.360 3.359 20 30 CGEDMO C=CCOCC[N@@H+]1CCc2cccc(Br)c2C1 ZINC000339000947 262578667 /nfs/dbraw/zinc/57/86/67/262578667.db2.gz DVQXVRWKZFDKLS-UHFFFAOYSA-N 1 1 296.208 3.010 20 30 CGEDMO C=CCOCC[N@H+]1CCc2cccc(Br)c2C1 ZINC000339000947 262578668 /nfs/dbraw/zinc/57/86/68/262578668.db2.gz DVQXVRWKZFDKLS-UHFFFAOYSA-N 1 1 296.208 3.010 20 30 CGEDMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2CCOCCC#N)c1 ZINC000339084193 262595795 /nfs/dbraw/zinc/59/57/95/262595795.db2.gz NTWHIQYEXMWAPE-YOEHRIQHSA-N 1 1 288.391 3.008 20 30 CGEDMO N#CC1(C[N@@H+]2CCC[C@H](Oc3ccccc3)C2)CCC1 ZINC000411982765 262714098 /nfs/dbraw/zinc/71/40/98/262714098.db2.gz KMVSFBPLWPMDEB-INIZCTEOSA-N 1 1 270.376 3.224 20 30 CGEDMO N#CC1(C[N@H+]2CCC[C@H](Oc3ccccc3)C2)CCC1 ZINC000411982765 262714099 /nfs/dbraw/zinc/71/40/99/262714099.db2.gz KMVSFBPLWPMDEB-INIZCTEOSA-N 1 1 270.376 3.224 20 30 CGEDMO CC[C@@H](C)C[N@@H+](CC)Cc1ccc(OCC#N)cc1 ZINC000267377103 262928446 /nfs/dbraw/zinc/92/84/46/262928446.db2.gz TXRLDORKIHNRCA-CQSZACIVSA-N 1 1 260.381 3.457 20 30 CGEDMO CC(C)C[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000271060322 262992349 /nfs/dbraw/zinc/99/23/49/262992349.db2.gz WIGROCKXDRAYJQ-UHFFFAOYSA-N 1 1 259.397 3.124 20 30 CGEDMO N#CCCCC[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000272534078 263005976 /nfs/dbraw/zinc/00/59/76/263005976.db2.gz ITEWEBGAMCZCGK-HNNXBMFYSA-N 1 1 258.365 3.081 20 30 CGEDMO C[C@@H]1c2ccc(Cl)n2CC[N@@H+]1CCCCC#N ZINC000283882465 263084899 /nfs/dbraw/zinc/08/48/99/263084899.db2.gz DYFDHPOWKAUYCM-LLVKDONJSA-N 1 1 251.761 3.212 20 30 CGEDMO C#CC[N@H+](CCCC(C)(C)C#N)Cc1ccccc1 ZINC000285799336 263095789 /nfs/dbraw/zinc/09/57/89/263095789.db2.gz UIYYDYYAAAHOFG-UHFFFAOYSA-N 1 1 254.377 3.452 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@H]1CN(CCC#N)Cc1ccco1 ZINC000340281102 263104321 /nfs/dbraw/zinc/10/43/21/263104321.db2.gz AIZKDIJYEMPMON-INIZCTEOSA-N 1 1 289.423 3.258 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000340288353 263104931 /nfs/dbraw/zinc/10/49/31/263104931.db2.gz ZVSYHJWCILFRLX-KRWDZBQOSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C(C)CN(CC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000340288353 263104932 /nfs/dbraw/zinc/10/49/32/263104932.db2.gz ZVSYHJWCILFRLX-KRWDZBQOSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C(C)CN(CC)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000340288353 263104933 /nfs/dbraw/zinc/10/49/33/263104933.db2.gz ZVSYHJWCILFRLX-KRWDZBQOSA-N 1 1 258.409 3.159 20 30 CGEDMO CCC[N@@H+](Cc1ccccc1O)[C@H]1CC[C@H](C#N)C1 ZINC000292722863 263134618 /nfs/dbraw/zinc/13/46/18/263134618.db2.gz FWGFUQMDIMRGLG-ZFWWWQNUSA-N 1 1 258.365 3.296 20 30 CGEDMO Cc1nocc1C[NH2+][C@H](CCC#N)c1ccccc1 ZINC000293207881 263138711 /nfs/dbraw/zinc/13/87/11/263138711.db2.gz JCAQERYWXBSWMQ-OAHLLOKOSA-N 1 1 255.321 3.118 20 30 CGEDMO CC1(C)C[N@H+]([C@H]2CC[C@H](C#N)C2)Cc2ccccc21 ZINC000293817665 263149947 /nfs/dbraw/zinc/14/99/47/263149947.db2.gz OUHAEUKWJBGAHG-ZFWWWQNUSA-N 1 1 254.377 3.472 20 30 CGEDMO CC[N@H+](CC(=O)Nc1c(C)cccc1C)[C@H]1CC[C@@H](C#N)C1 ZINC000293906481 263152222 /nfs/dbraw/zinc/15/22/22/263152222.db2.gz WNRUSIJTGQEHTP-CVEARBPZSA-N 1 1 299.418 3.256 20 30 CGEDMO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)[C@H]1CC[C@@H](C#N)C1 ZINC000293906481 263152223 /nfs/dbraw/zinc/15/22/23/263152223.db2.gz WNRUSIJTGQEHTP-CVEARBPZSA-N 1 1 299.418 3.256 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)[C@@H]1CC[C@H](C#N)C1 ZINC000298305305 263217368 /nfs/dbraw/zinc/21/73/68/263217368.db2.gz YHFYUPHXDAUDTC-DLBZAZTESA-N 1 1 254.377 3.409 20 30 CGEDMO C=CCC(C)(C)c1noc(C[N@H+]2[C@H](C)CC[C@@H]2C)n1 ZINC000340829505 263308130 /nfs/dbraw/zinc/30/81/30/263308130.db2.gz YNPDAYPTZOBDKY-TXEJJXNPSA-N 1 1 263.385 3.296 20 30 CGEDMO C=CCC(C)(C)c1noc(C[N@@H+]2[C@H](C)CC[C@@H]2C)n1 ZINC000340829505 263308133 /nfs/dbraw/zinc/30/81/33/263308133.db2.gz YNPDAYPTZOBDKY-TXEJJXNPSA-N 1 1 263.385 3.296 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000127434274 264255435 /nfs/dbraw/zinc/25/54/35/264255435.db2.gz KEMLLRVZQURFDG-KRWDZBQOSA-N 1 1 280.371 3.364 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC000074322038 264305206 /nfs/dbraw/zinc/30/52/06/264305206.db2.gz IDPMPCPGPWZWPJ-UHFFFAOYSA-N 1 1 258.409 3.159 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000129528300 264323390 /nfs/dbraw/zinc/32/33/90/264323390.db2.gz VGHOFARZSGAICO-DJIMGWMZSA-N 1 1 291.460 3.492 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)cc1Cl ZINC000190056498 264394470 /nfs/dbraw/zinc/39/44/70/264394470.db2.gz BKTLOOAMNPAERR-WFASDCNBSA-N 1 1 295.810 3.108 20 30 CGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)[C@H](C)CCC ZINC000514541507 265178135 /nfs/dbraw/zinc/17/81/35/265178135.db2.gz CWFRRUORLBVEMA-WBVHZDCISA-N 1 1 291.435 3.275 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)CCS1 ZINC000192174766 270076987 /nfs/dbraw/zinc/07/69/87/270076987.db2.gz MHYWVPLEUZTIRS-NSHDSACASA-N 1 1 264.369 3.025 20 30 CGEDMO C=CC[C@H](CC)NC(=O)[C@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000356377971 266105078 /nfs/dbraw/zinc/10/50/78/266105078.db2.gz RNVCBQPCDODDAS-IRXDYDNUSA-N 1 1 288.435 3.368 20 30 CGEDMO CC#CC[N@H+](C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000357614048 266337348 /nfs/dbraw/zinc/33/73/48/266337348.db2.gz ZASYQHQKLZPGMZ-UHFFFAOYSA-N 1 1 281.403 3.253 20 30 CGEDMO CC#CC[N@@H+](C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC000357614048 266337350 /nfs/dbraw/zinc/33/73/50/266337350.db2.gz ZASYQHQKLZPGMZ-UHFFFAOYSA-N 1 1 281.403 3.253 20 30 CGEDMO C=CC[N@@H+](C/C=C/c1ccc(F)cc1F)CCOC ZINC000361634799 266860474 /nfs/dbraw/zinc/86/04/74/266860474.db2.gz CGSWMRYWCZFVGS-SNAWJCMRSA-N 1 1 267.319 3.112 20 30 CGEDMO C[N@H+](CC#Cc1ccccc1)CCCC(=O)OC(C)(C)C ZINC000361824296 266889993 /nfs/dbraw/zinc/88/99/93/266889993.db2.gz BRQJNKKGGWOGAI-UHFFFAOYSA-N 1 1 287.403 3.092 20 30 CGEDMO COc1ccccc1C[C@@H]1CCC[N@H+]1CCCCC#N ZINC000363201054 267079605 /nfs/dbraw/zinc/07/96/05/267079605.db2.gz VCGAQFPKKVYSPW-INIZCTEOSA-N 1 1 272.392 3.396 20 30 CGEDMO CC[C@@H]([NH2+]Cc1ncccc1F)c1ccc(C#N)cc1 ZINC000530418802 267196230 /nfs/dbraw/zinc/19/62/30/267196230.db2.gz UGBJXZKMHDHRCA-OAHLLOKOSA-N 1 1 269.323 3.333 20 30 CGEDMO N#CCCCC[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000369287773 267232368 /nfs/dbraw/zinc/23/23/68/267232368.db2.gz KOXUFVCCCSSNND-INIZCTEOSA-N 1 1 258.365 3.224 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH+]1CCC(C2CCCC2)CC1 ZINC000369809341 267267582 /nfs/dbraw/zinc/26/75/82/267267582.db2.gz QHHCCYLCHGICGZ-AWEZNQCLSA-N 1 1 259.397 3.332 20 30 CGEDMO CCCCCCCC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000119125941 267302570 /nfs/dbraw/zinc/30/25/70/267302570.db2.gz KVUYRFLARRVQMN-HOTGVXAUSA-N 1 1 280.456 3.290 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCCOC(C)(C)C1 ZINC000370733388 267341689 /nfs/dbraw/zinc/34/16/89/267341689.db2.gz DAAMWWDOSIQNID-UHFFFAOYSA-N 1 1 286.419 3.489 20 30 CGEDMO C=C(C)CN(C)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000370724839 267341955 /nfs/dbraw/zinc/34/19/55/267341955.db2.gz MWPFGDZETZWYKK-MRXNPFEDSA-N 1 1 293.455 3.001 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc(OC(F)(F)F)cc2)CCC1 ZINC000418135144 267355392 /nfs/dbraw/zinc/35/53/92/267355392.db2.gz ACEMHXSEXWVXLX-UHFFFAOYSA-N 1 1 284.281 3.369 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H]1c1nc(-c2cccc(OC)c2)c[nH]1 ZINC000371182649 267360796 /nfs/dbraw/zinc/36/07/96/267360796.db2.gz FGCJWTIDCMHLBT-QGZVFWFLSA-N 1 1 295.386 3.246 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc(C(F)(F)F)cc2)CCC1 ZINC000418137933 267371900 /nfs/dbraw/zinc/37/19/00/267371900.db2.gz FMSJTIZTUKYDAM-UHFFFAOYSA-N 1 1 268.282 3.489 20 30 CGEDMO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000528766038 270171786 /nfs/dbraw/zinc/17/17/86/270171786.db2.gz BXHLZEQVDMGBNP-SNVBAGLBSA-N 1 1 268.282 3.317 20 30 CGEDMO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000528766038 270171787 /nfs/dbraw/zinc/17/17/87/270171787.db2.gz BXHLZEQVDMGBNP-SNVBAGLBSA-N 1 1 268.282 3.317 20 30 CGEDMO N#Cc1c(F)cccc1NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528212853 268165488 /nfs/dbraw/zinc/16/54/88/268165488.db2.gz YCOKRPZDRBDORF-ZDUSSCGKSA-N 1 1 273.355 3.126 20 30 CGEDMO C=C1CC[NH+](Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000279690032 273483910 /nfs/dbraw/zinc/48/39/10/273483910.db2.gz QTTDGUUWENGRSZ-UHFFFAOYSA-N 1 1 288.782 3.073 20 30 CGEDMO CCC[N@@H+](Cc1cccc(F)c1C#N)C[C@H]1CCCCO1 ZINC000428392245 276002060 /nfs/dbraw/zinc/00/20/60/276002060.db2.gz YRWUUWHNKMNGTG-OAHLLOKOSA-N 1 1 290.382 3.478 20 30 CGEDMO CCC[N@H+](Cc1cccc(F)c1C#N)C[C@H]1CCCCO1 ZINC000428392245 276002063 /nfs/dbraw/zinc/00/20/63/276002063.db2.gz YRWUUWHNKMNGTG-OAHLLOKOSA-N 1 1 290.382 3.478 20 30 CGEDMO CCC[C@@H](C)[N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459302517 276022093 /nfs/dbraw/zinc/02/20/93/276022093.db2.gz DVTTUMVYCGHNBA-LLVKDONJSA-N 1 1 261.325 3.087 20 30 CGEDMO CCC[C@@H](C)[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459302517 276022095 /nfs/dbraw/zinc/02/20/95/276022095.db2.gz DVTTUMVYCGHNBA-LLVKDONJSA-N 1 1 261.325 3.087 20 30 CGEDMO CN1CCC[C@]2(CC[N@H+](CCC3(C#N)CCCCC3)C2)C1 ZINC000334647741 277086139 /nfs/dbraw/zinc/08/61/39/277086139.db2.gz ZUYVLLRSCBYCLS-SFHVURJKSA-N 1 1 289.467 3.268 20 30 CGEDMO CN1CCC[C@]2(CC[N@@H+](CCC3(C#N)CCCCC3)C2)C1 ZINC000334647741 277086141 /nfs/dbraw/zinc/08/61/41/277086141.db2.gz ZUYVLLRSCBYCLS-SFHVURJKSA-N 1 1 289.467 3.268 20 30 CGEDMO C[N@@H+]1CCC[C@]2(CCN(CCC3(C#N)CCCCC3)C2)C1 ZINC000334647741 277086142 /nfs/dbraw/zinc/08/61/42/277086142.db2.gz ZUYVLLRSCBYCLS-SFHVURJKSA-N 1 1 289.467 3.268 20 30 CGEDMO C[N@H+]1CCC[C@]2(CCN(CCC3(C#N)CCCCC3)C2)C1 ZINC000334647741 277086144 /nfs/dbraw/zinc/08/61/44/277086144.db2.gz ZUYVLLRSCBYCLS-SFHVURJKSA-N 1 1 289.467 3.268 20 30 CGEDMO C#CC[C@@H]([NH2+][C@H](C)c1nccnc1C)c1ccccc1 ZINC000275865336 277697189 /nfs/dbraw/zinc/69/71/89/277697189.db2.gz NPRFYRPEGYDIGN-GDBMZVCRSA-N 1 1 265.360 3.200 20 30 CGEDMO C[C@H]1CCC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000334176201 278343676 /nfs/dbraw/zinc/34/36/76/278343676.db2.gz AGLZZKGSZFLYHL-SWLSCSKDSA-N 1 1 271.364 3.257 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000292372043 290220003 /nfs/dbraw/zinc/22/00/03/290220003.db2.gz RARPRZGAOGZDKS-HZPDHXFCSA-N 1 1 297.446 3.425 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000441294171 290220360 /nfs/dbraw/zinc/22/03/60/290220360.db2.gz NHZZMBVNZKPRGJ-JLSDUUJJSA-N 1 1 284.403 3.368 20 30 CGEDMO N#Cc1ccc(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)cc1 ZINC000123451387 303190786 /nfs/dbraw/zinc/19/07/86/303190786.db2.gz ALIYCHJVBHPSHX-GOSISDBHSA-N 1 1 284.403 3.482 20 30 CGEDMO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2nc(C(F)(F)F)cs2)C1 ZINC000192888048 327878629 /nfs/dbraw/zinc/87/86/29/327878629.db2.gz ZODHCSHCIQATDV-RKDXNWHRSA-N 1 1 289.326 3.334 20 30 CGEDMO Cc1noc([C@@H](C)[N@H+](C)CCCCC(C)(C)C#N)n1 ZINC000565167417 328070326 /nfs/dbraw/zinc/07/03/26/328070326.db2.gz WOHKZPZMLBMCBT-LLVKDONJSA-N 1 1 264.373 3.091 20 30 CGEDMO Cc1noc([C@@H](C)[N@@H+](C)CCCCC(C)(C)C#N)n1 ZINC000565167417 328070327 /nfs/dbraw/zinc/07/03/27/328070327.db2.gz WOHKZPZMLBMCBT-LLVKDONJSA-N 1 1 264.373 3.091 20 30 CGEDMO COC(=O)[C@@]1(C)CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000412060567 328101847 /nfs/dbraw/zinc/10/18/47/328101847.db2.gz GESACTJXCKDIBO-INIZCTEOSA-N 1 1 292.423 3.126 20 30 CGEDMO COc1cc(C[N@@H+](C)CCCC(C)(C)C#N)cc(OC)c1 ZINC000266945152 328170906 /nfs/dbraw/zinc/17/09/06/328170906.db2.gz XRQCBRORBGIPRT-UHFFFAOYSA-N 1 1 290.407 3.466 20 30 CGEDMO C[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1ccc(OCC#N)cc1 ZINC000271852755 328198108 /nfs/dbraw/zinc/19/81/08/328198108.db2.gz IUVCPLBKECMQPA-BLLLJJGKSA-N 1 1 296.374 3.040 20 30 CGEDMO C[C@@H](C#N)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000274092438 328207988 /nfs/dbraw/zinc/20/79/88/328207988.db2.gz QEYLIFCGHCGYHO-HNNXBMFYSA-N 1 1 271.408 3.268 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000274092438 328207989 /nfs/dbraw/zinc/20/79/89/328207989.db2.gz QEYLIFCGHCGYHO-HNNXBMFYSA-N 1 1 271.408 3.268 20 30 CGEDMO C[NH+](C)Cc1ccc(NC(=O)CC(C)(C)C#N)cc1Cl ZINC000281124642 328238824 /nfs/dbraw/zinc/23/88/24/328238824.db2.gz GVYXLWGGXXHRIR-UHFFFAOYSA-N 1 1 293.798 3.280 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)N(CC)C1CCCCC1 ZINC000181329926 329231634 /nfs/dbraw/zinc/23/16/34/329231634.db2.gz ULMBWPYWWBWQBD-AWEZNQCLSA-N 1 1 266.429 3.064 20 30 CGEDMO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@H+]1CCOCCC#N ZINC000296554397 328291218 /nfs/dbraw/zinc/29/12/18/328291218.db2.gz CCOYZNVJEGOIDP-BFYDXBDKSA-N 1 1 272.392 3.183 20 30 CGEDMO C[C@H]1Cc2[nH+]cn(Cc3ccc(C#N)s3)c2C[C@@H]1C ZINC000563633115 322005166 /nfs/dbraw/zinc/00/51/66/322005166.db2.gz ZHWQLOWZMHWAIT-QWRGUYRKSA-N 1 1 271.389 3.235 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cn1)C1CCC(C)(C)CC1 ZINC000567911702 322182767 /nfs/dbraw/zinc/18/27/67/322182767.db2.gz YTXHAZRQPCBOJP-UHFFFAOYSA-N 1 1 257.381 3.354 20 30 CGEDMO C=CC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C)CC1 ZINC000111256880 328340659 /nfs/dbraw/zinc/34/06/59/328340659.db2.gz LBMBMHRMPKEFMO-UHFFFAOYSA-N 1 1 292.810 3.485 20 30 CGEDMO Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccc(C#N)cn2)s1 ZINC000573455143 322388746 /nfs/dbraw/zinc/38/87/46/322388746.db2.gz DEEOKUOTIMZMRG-LLVKDONJSA-N 1 1 286.404 3.220 20 30 CGEDMO Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2ccc(C#N)cn2)s1 ZINC000573455143 322388748 /nfs/dbraw/zinc/38/87/48/322388748.db2.gz DEEOKUOTIMZMRG-LLVKDONJSA-N 1 1 286.404 3.220 20 30 CGEDMO CCOc1cc(C[N@H+](CCC#N)C(C)C)ccc1OC ZINC000535077515 328384818 /nfs/dbraw/zinc/38/48/18/328384818.db2.gz XTRSHFJATINSFW-UHFFFAOYSA-N 1 1 276.380 3.218 20 30 CGEDMO CCOc1cc(C[N@@H+](CCC#N)C(C)C)ccc1OC ZINC000535077515 328384820 /nfs/dbraw/zinc/38/48/20/328384820.db2.gz XTRSHFJATINSFW-UHFFFAOYSA-N 1 1 276.380 3.218 20 30 CGEDMO CN(C)CC[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)C(C)(C)C ZINC000185827927 329329964 /nfs/dbraw/zinc/32/99/64/329329964.db2.gz RUIFYHNQGJGPCX-ZNMIVQPWSA-N 1 1 265.445 3.025 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000568602422 327004576 /nfs/dbraw/zinc/00/45/76/327004576.db2.gz ZQVDNDDJOHHZBA-ZIAGYGMSSA-N 1 1 280.412 3.122 20 30 CGEDMO C=CCOc1ccc(CNc2[nH]c3ccccc3[nH+]2)cc1 ZINC000557682438 327020661 /nfs/dbraw/zinc/02/06/61/327020661.db2.gz OICKCLYBPAWIGN-UHFFFAOYSA-N 1 1 279.343 3.162 20 30 CGEDMO C[N@H+](CCC(C)(C)C#N)Cc1cc(C(C)(C)C)n[nH]1 ZINC000558117269 327074745 /nfs/dbraw/zinc/07/47/45/327074745.db2.gz RSHMTDMTBNRIBU-UHFFFAOYSA-N 1 1 262.401 3.079 20 30 CGEDMO C[N@@H+](CCC(C)(C)C#N)Cc1cc(C(C)(C)C)n[nH]1 ZINC000558117269 327074747 /nfs/dbraw/zinc/07/47/47/327074747.db2.gz RSHMTDMTBNRIBU-UHFFFAOYSA-N 1 1 262.401 3.079 20 30 CGEDMO COc1ccc2cc(C[NH2+]C[C@H](C#N)CCC#N)ccc2c1 ZINC000558482952 327097408 /nfs/dbraw/zinc/09/74/08/327097408.db2.gz RISPSMRTCDIWCJ-HNNXBMFYSA-N 1 1 293.370 3.382 20 30 CGEDMO CC(C)[N@H+](C)CC1CCN(CC#Cc2ccccc2)CC1 ZINC000558828644 327123138 /nfs/dbraw/zinc/12/31/38/327123138.db2.gz CGCROQNKZTYIBA-UHFFFAOYSA-N 1 1 284.447 3.090 20 30 CGEDMO CC(C)[N@@H+](C)CC1CCN(CC#Cc2ccccc2)CC1 ZINC000558828644 327123139 /nfs/dbraw/zinc/12/31/39/327123139.db2.gz CGCROQNKZTYIBA-UHFFFAOYSA-N 1 1 284.447 3.090 20 30 CGEDMO C[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000076149880 327129241 /nfs/dbraw/zinc/12/92/41/327129241.db2.gz WOLFZTPSIRDLHE-HZPDHXFCSA-N 1 1 299.418 3.054 20 30 CGEDMO COc1ccc(C[C@H](C)C[N@@H+](C)[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000559146020 327143222 /nfs/dbraw/zinc/14/32/22/327143222.db2.gz ZSSWFOPCHQFJRM-USXIJHARSA-N 1 1 286.419 3.498 20 30 CGEDMO CC#CC[N@H+](C)Cc1ccccc1OCC(F)(F)F ZINC000559458851 327246373 /nfs/dbraw/zinc/24/63/73/327246373.db2.gz MYMJEXSFUFRYOJ-UHFFFAOYSA-N 1 1 271.282 3.083 20 30 CGEDMO CC#CC[N@@H+](C)Cc1ccccc1OCC(F)(F)F ZINC000559458851 327246374 /nfs/dbraw/zinc/24/63/74/327246374.db2.gz MYMJEXSFUFRYOJ-UHFFFAOYSA-N 1 1 271.282 3.083 20 30 CGEDMO C[C@H](O)C[N@@H+](CCCC(C)(C)C#N)Cc1ccccc1 ZINC000531101210 327246569 /nfs/dbraw/zinc/24/65/69/327246569.db2.gz WFDKXKBYLDUSQN-HNNXBMFYSA-N 1 1 274.408 3.199 20 30 CGEDMO CCCOc1ccc(C[NH2+]CC2(C#N)CCC2)cc1 ZINC000570666372 327609542 /nfs/dbraw/zinc/60/95/42/327609542.db2.gz OISBQWOMZCRYMY-UHFFFAOYSA-N 1 1 258.365 3.259 20 30 CGEDMO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccc(C#N)cn1)CCC2 ZINC000582463228 329087222 /nfs/dbraw/zinc/08/72/22/329087222.db2.gz WSKRIWLFHRQSHO-HNNXBMFYSA-N 1 1 298.415 3.228 20 30 CGEDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccc(C#N)cn1)CCC2 ZINC000582463228 329087224 /nfs/dbraw/zinc/08/72/24/329087224.db2.gz WSKRIWLFHRQSHO-HNNXBMFYSA-N 1 1 298.415 3.228 20 30 CGEDMO Cc1cnccc1CC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000582603201 329114550 /nfs/dbraw/zinc/11/45/50/329114550.db2.gz PUELKLCEROGLJA-UHFFFAOYSA-N 1 1 291.398 3.469 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](CC)[C@@H](C)c1cccc(OC)c1 ZINC000178063024 329192363 /nfs/dbraw/zinc/19/23/63/329192363.db2.gz NAVAXOPTWOLPMW-HOCLYGCPSA-N 1 1 277.408 3.405 20 30 CGEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)CC(=C)C ZINC000181297325 329230175 /nfs/dbraw/zinc/23/01/75/329230175.db2.gz ZHUPXMRPSVRNLQ-AWEZNQCLSA-N 1 1 292.448 3.159 20 30 CGEDMO CC[C@@H](CC#N)NCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000184086575 329255863 /nfs/dbraw/zinc/25/58/63/329255863.db2.gz HOWXPJURDPANFO-KRWDZBQOSA-N 1 1 287.451 3.426 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000185140521 329266332 /nfs/dbraw/zinc/26/63/32/329266332.db2.gz FTUHDTJLZPPSIM-CVEARBPZSA-N 1 1 280.456 3.217 20 30 CGEDMO CCC[N@@H+](CC)C[C@@H](C)Nc1cccc(F)c1C#N ZINC000583136532 329319630 /nfs/dbraw/zinc/31/96/30/329319630.db2.gz BUKJQXRRSDSRNL-GFCCVEGCSA-N 1 1 263.360 3.230 20 30 CGEDMO C[C@H]1CCCC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000187952495 329361812 /nfs/dbraw/zinc/36/18/12/329361812.db2.gz HOBKDYSWBIROHZ-INIZCTEOSA-N 1 1 299.418 3.055 20 30 CGEDMO C[C@@H](CC#N)[N@H+](C)CCCC(=O)c1ccc(F)cc1 ZINC000063087441 329367516 /nfs/dbraw/zinc/36/75/16/329367516.db2.gz MFTFHSPYDMCJKA-LBPRGKRZSA-N 1 1 262.328 3.023 20 30 CGEDMO C[C@@H](CC#N)[N@@H+](C)CCCC(=O)c1ccc(F)cc1 ZINC000063087441 329367517 /nfs/dbraw/zinc/36/75/17/329367517.db2.gz MFTFHSPYDMCJKA-LBPRGKRZSA-N 1 1 262.328 3.023 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000270169493 330073451 /nfs/dbraw/zinc/07/34/51/330073451.db2.gz ABBRWKBOXLATRA-AWEZNQCLSA-N 1 1 255.365 3.077 20 30 CGEDMO CC(C)c1ccc([C@H]([NH3+])CN[C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000423234697 330180904 /nfs/dbraw/zinc/18/09/04/330180904.db2.gz FUBDKNHYYZUCHV-ZTFGCOKTSA-N 1 1 285.435 3.482 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000532978495 330323584 /nfs/dbraw/zinc/32/35/84/330323584.db2.gz WTNIDGDLGYYNHF-OAHLLOKOSA-N 1 1 292.810 3.343 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cnc(OC)c(Cl)c1 ZINC000533099064 330334676 /nfs/dbraw/zinc/33/46/76/330334676.db2.gz WSUGQIFTAOTWIR-UHFFFAOYSA-N 1 1 254.761 3.142 20 30 CGEDMO C=CCn1cc(C[NH2+][C@@H]2CC[C@@H](C)c3ccccc32)nn1 ZINC000424292322 330335130 /nfs/dbraw/zinc/33/51/30/330335130.db2.gz GLRCVRAOEWFUJF-CXAGYDPISA-N 1 1 282.391 3.192 20 30 CGEDMO C=CCn1cc(C[NH2+][C@@H]2C[C@H](C)c3c2cccc3C)nn1 ZINC000424295427 330335813 /nfs/dbraw/zinc/33/58/13/330335813.db2.gz MSCDYSQQKQNHLB-XJKSGUPXSA-N 1 1 282.391 3.111 20 30 CGEDMO N#CCCC[C@H]([NH3+])c1nc(-c2ccccc2Cl)no1 ZINC000424337627 330343711 /nfs/dbraw/zinc/34/37/11/330343711.db2.gz LPSTWYUREYUZGM-NSHDSACASA-N 1 1 276.727 3.084 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cc(C(=O)OC)sc1C ZINC000089128942 330380715 /nfs/dbraw/zinc/38/07/15/330380715.db2.gz XTCSETUUYOHXQT-UHFFFAOYSA-N 1 1 267.394 3.241 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000120137271 330385446 /nfs/dbraw/zinc/38/54/46/330385446.db2.gz PGDCEWONMOLSMY-AEFFLSMTSA-N 1 1 298.430 3.065 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCSC1 ZINC000089939153 330388827 /nfs/dbraw/zinc/38/88/27/330388827.db2.gz ZNKZVNXMGFKQJK-CQSZACIVSA-N 1 1 299.361 3.494 20 30 CGEDMO C=CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc2ccccc21 ZINC000121167885 330396894 /nfs/dbraw/zinc/39/68/94/330396894.db2.gz QNYXHTASVBXETH-ZDUSSCGKSA-N 1 1 268.360 3.285 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc2ccccc21 ZINC000121167885 330396895 /nfs/dbraw/zinc/39/68/95/330396895.db2.gz QNYXHTASVBXETH-ZDUSSCGKSA-N 1 1 268.360 3.285 20 30 CGEDMO C=CCCCC[C@H](C)[NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000449189232 330904948 /nfs/dbraw/zinc/90/49/48/330904948.db2.gz MBEANLHYDNFSJK-RYQLBKOJSA-N 1 1 294.483 3.089 20 30 CGEDMO C=CCCCC[C@H](C)[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC000449343137 330916541 /nfs/dbraw/zinc/91/65/41/330916541.db2.gz ICFIFTBDMABYRB-HNNXBMFYSA-N 1 1 284.407 3.492 20 30 CGEDMO C=CCOc1cccc(C[NH2+][C@@H]2C[C@@H](C)n3ccnc32)c1 ZINC000449575301 330938279 /nfs/dbraw/zinc/93/82/79/330938279.db2.gz XRTIRYBRXCILHY-CZUORRHYSA-N 1 1 283.375 3.244 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451427383 331029138 /nfs/dbraw/zinc/02/91/38/331029138.db2.gz XCGCYGIETJYCIU-JONQDZQNSA-N 1 1 251.414 3.357 20 30 CGEDMO CO[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)CC1(C)C ZINC000451557121 331034318 /nfs/dbraw/zinc/03/43/18/331034318.db2.gz AZSOHWDRISNACT-MRXNPFEDSA-N 1 1 291.822 3.438 20 30 CGEDMO CO[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)CC1(C)C ZINC000451557121 331034319 /nfs/dbraw/zinc/03/43/19/331034319.db2.gz AZSOHWDRISNACT-MRXNPFEDSA-N 1 1 291.822 3.438 20 30 CGEDMO CO[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C[C@@H]1C ZINC000451576568 331035036 /nfs/dbraw/zinc/03/50/36/331035036.db2.gz UKKFWXVPCJYQJL-XJKSGUPXSA-N 1 1 277.795 3.048 20 30 CGEDMO CO[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C[C@@H]1C ZINC000451576568 331035037 /nfs/dbraw/zinc/03/50/37/331035037.db2.gz UKKFWXVPCJYQJL-XJKSGUPXSA-N 1 1 277.795 3.048 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000451877305 331045971 /nfs/dbraw/zinc/04/59/71/331045971.db2.gz IFROBAVAKRGACW-WMLDXEAASA-N 1 1 299.418 3.417 20 30 CGEDMO N#CCC[NH+]1CCC(Cc2cc(F)ccc2F)CC1 ZINC000451958677 331048249 /nfs/dbraw/zinc/04/82/49/331048249.db2.gz HUVCNECEWBREKS-UHFFFAOYSA-N 1 1 264.319 3.133 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](N(C)CC#Cc2ccc(Cl)cc2)C1 ZINC000452121308 331055024 /nfs/dbraw/zinc/05/50/24/331055024.db2.gz SKDSSIZAXHTFPO-QGZVFWFLSA-N 1 1 290.838 3.106 20 30 CGEDMO N#CCCC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453195078 331100037 /nfs/dbraw/zinc/10/00/37/331100037.db2.gz OPNYCYJMMJKBHY-QRVBRYPASA-N 1 1 297.446 3.323 20 30 CGEDMO C=CC[C@H](C)[C@H](C)[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000453298094 331112619 /nfs/dbraw/zinc/11/26/19/331112619.db2.gz ZYXIBWXFKAFNDY-KKUMJFAQSA-N 1 1 280.456 3.201 20 30 CGEDMO C=CCC1(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)CCCC1 ZINC000453353093 331120986 /nfs/dbraw/zinc/12/09/86/331120986.db2.gz HJAMOIRETBVLFM-BZUAXINKSA-N 1 1 264.457 3.441 20 30 CGEDMO C=CCC1(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC000458440742 331251438 /nfs/dbraw/zinc/25/14/38/331251438.db2.gz MYJQVNUKDXFEHB-LSDHHAIUSA-N 1 1 293.455 3.047 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000459353609 331277752 /nfs/dbraw/zinc/27/77/52/331277752.db2.gz WZEZEQUGDLQIFI-INIZCTEOSA-N 1 1 288.435 3.310 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(OC)c1 ZINC000489431330 332051735 /nfs/dbraw/zinc/05/17/35/332051735.db2.gz DXZPVIYOMHBJEP-HNNXBMFYSA-N 1 1 288.391 3.064 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C)c(F)c1 ZINC000489438613 332052422 /nfs/dbraw/zinc/05/24/22/332052422.db2.gz XPYJNVKOANGOEM-AWEZNQCLSA-N 1 1 276.355 3.113 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(C)c(F)c1 ZINC000489438613 332052423 /nfs/dbraw/zinc/05/24/23/332052423.db2.gz XPYJNVKOANGOEM-AWEZNQCLSA-N 1 1 276.355 3.113 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(C(=O)OC)c(F)c1 ZINC000489469398 332054599 /nfs/dbraw/zinc/05/45/99/332054599.db2.gz BIDMJTXWUBVQRX-ZDUSSCGKSA-N 1 1 277.339 3.153 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1ccc(N(C)CC)nc1)c1ccc(F)cc1 ZINC000491230774 332170764 /nfs/dbraw/zinc/17/07/64/332170764.db2.gz OUPUORBECCUIIG-QGZVFWFLSA-N 1 1 297.377 3.141 20 30 CGEDMO C#CC[NH+]1CCC(c2nc(C3CCC(C)CC3)no2)CC1 ZINC000491462679 332216111 /nfs/dbraw/zinc/21/61/11/332216111.db2.gz JNCPNZPRBQNQGZ-UHFFFAOYSA-N 1 1 287.407 3.176 20 30 CGEDMO C#CC[N@@H+](CCc1cscn1)[C@@H]1CCc2ccccc21 ZINC000491713782 332304582 /nfs/dbraw/zinc/30/45/82/332304582.db2.gz DLISIXLLPMCOHD-QGZVFWFLSA-N 1 1 282.412 3.308 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000513376888 333016360 /nfs/dbraw/zinc/01/63/60/333016360.db2.gz QZAHYQXQHTXIIB-UHFFFAOYSA-N 1 1 289.398 3.278 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000189926455 333200552 /nfs/dbraw/zinc/20/05/52/333200552.db2.gz MOPHAUQJXFAIGT-GOSISDBHSA-N 1 1 288.435 3.227 20 30 CGEDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)CC#Cc1ccccc1 ZINC000192103681 333229574 /nfs/dbraw/zinc/22/95/74/333229574.db2.gz KLKJUPOSSXWXFN-HNNXBMFYSA-N 1 1 265.356 3.437 20 30 CGEDMO CCC[N@@H+](CC#Cc1ccccc1)C[C@H]1CCCCO1 ZINC000192101811 333229660 /nfs/dbraw/zinc/22/96/60/333229660.db2.gz SUTVRZWQPKAZFF-GOSISDBHSA-N 1 1 271.404 3.319 20 30 CGEDMO C=C(C)C[N@H+](CCCc1cncn1C)Cc1ccccc1 ZINC000522011160 333230184 /nfs/dbraw/zinc/23/01/84/333230184.db2.gz RLLLSZYSAQKXNY-UHFFFAOYSA-N 1 1 283.419 3.431 20 30 CGEDMO C=CCCCCC[N@H+](CCCC)[C@H]1CCS(=O)(=O)C1 ZINC000193426000 333249825 /nfs/dbraw/zinc/24/98/25/333249825.db2.gz OYWBAZKZWYTUGQ-HNNXBMFYSA-N 1 1 287.469 3.022 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)CC1CCOCC1 ZINC000173552226 335136180 /nfs/dbraw/zinc/13/61/80/335136180.db2.gz LPOXDAHGCLVNQM-UHFFFAOYSA-N 1 1 252.402 3.065 20 30 CGEDMO CC(C)COc1cccc(C[NH2+]Cc2ccc(C#N)o2)c1 ZINC000174303251 335152286 /nfs/dbraw/zinc/15/22/86/335152286.db2.gz BZIOXPWMSKGKKX-UHFFFAOYSA-N 1 1 284.359 3.476 20 30 CGEDMO CCCc1nc(C[NH+]2CCC(CC#N)CC2)cs1 ZINC000541022640 333759654 /nfs/dbraw/zinc/75/96/54/333759654.db2.gz KXCFWUXHRDIIQT-UHFFFAOYSA-N 1 1 263.410 3.221 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000135136642 334117319 /nfs/dbraw/zinc/11/73/19/334117319.db2.gz AQCIDMPMOMMPBC-NVXWUHKLSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000548094217 334139379 /nfs/dbraw/zinc/13/93/79/334139379.db2.gz FMJGIGXSIARHCG-HRCADAONSA-N 1 1 251.414 3.480 20 30 CGEDMO C=CCOCCC[N@@H+]1CCC[C@@H]1Cc1cccc(OC)c1 ZINC000548750810 334169300 /nfs/dbraw/zinc/16/93/00/334169300.db2.gz MASHOUXQJLCUPN-QGZVFWFLSA-N 1 1 289.419 3.295 20 30 CGEDMO C=CCCCCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2CCOC ZINC000550392438 334221644 /nfs/dbraw/zinc/22/16/44/334221644.db2.gz LIBBDCXWHMZVCR-JWTNVVGKSA-N 1 1 294.483 3.306 20 30 CGEDMO C=CCCCCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2CCOC ZINC000550392438 334221645 /nfs/dbraw/zinc/22/16/45/334221645.db2.gz LIBBDCXWHMZVCR-JWTNVVGKSA-N 1 1 294.483 3.306 20 30 CGEDMO Cc1cc2cc(C[NH2+]C[C@H](C#N)CCC#N)ccc2[nH]1 ZINC000552024468 334278013 /nfs/dbraw/zinc/27/80/13/334278013.db2.gz XXWWQXVINFAOLC-AWEZNQCLSA-N 1 1 266.348 3.009 20 30 CGEDMO COc1ccc(C[C@@H](C)C[N@@H+](C)C[C@H](C#N)CCC#N)cc1 ZINC000090620363 334365345 /nfs/dbraw/zinc/36/53/45/334365345.db2.gz OFTSSNZQZKVFJX-WBVHZDCISA-N 1 1 299.418 3.249 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cccc(OC)c1OC(F)F ZINC000158133669 334793383 /nfs/dbraw/zinc/79/33/83/334793383.db2.gz IBMFFPYRHHZOPX-UHFFFAOYSA-N 1 1 283.318 3.471 20 30 CGEDMO C[C@H](C#N)C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000166471747 334914053 /nfs/dbraw/zinc/91/40/53/334914053.db2.gz GZTFDNYNRBCJOR-MRVPVSSYSA-N 1 1 260.234 3.094 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)cc1 ZINC000576343758 335191900 /nfs/dbraw/zinc/19/19/00/335191900.db2.gz FOLDARYVJXSJGV-ZWKOTPCHSA-N 1 1 284.403 3.144 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000175950321 335220280 /nfs/dbraw/zinc/22/02/80/335220280.db2.gz UPEOYCVXEQOZBV-QGZVFWFLSA-N 1 1 259.393 3.286 20 30 CGEDMO C[C@@]1(Cc2cccc(F)c2)CCC[N@H+]1CCOCCC#N ZINC000577219153 335324938 /nfs/dbraw/zinc/32/49/38/335324938.db2.gz VAYNPEJXQLGEKY-KRWDZBQOSA-N 1 1 290.382 3.153 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1CCC(C)(C)C#N ZINC000345710700 335331637 /nfs/dbraw/zinc/33/16/37/335331637.db2.gz KXLQZMIOMKCAKW-MRXNPFEDSA-N 1 1 285.435 3.133 20 30 CGEDMO C[C@@H]1CN(Cc2ccccc2)CC[N@@H+]1CCC(C)(C)C#N ZINC000345710700 335331639 /nfs/dbraw/zinc/33/16/39/335331639.db2.gz KXLQZMIOMKCAKW-MRXNPFEDSA-N 1 1 285.435 3.133 20 30 CGEDMO C[C@@H]1CN(Cc2ccccc2)CC[N@H+]1CCC(C)(C)C#N ZINC000345710700 335331640 /nfs/dbraw/zinc/33/16/40/335331640.db2.gz KXLQZMIOMKCAKW-MRXNPFEDSA-N 1 1 285.435 3.133 20 30 CGEDMO CC[C@@](C)([NH2+]Cc1cc(C#N)cs1)c1nccs1 ZINC000177704669 335380054 /nfs/dbraw/zinc/38/00/54/335380054.db2.gz GELHXJPTSSBSRJ-CYBMUJFWSA-N 1 1 277.418 3.491 20 30 CGEDMO COC[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccccc1 ZINC000181645100 335776278 /nfs/dbraw/zinc/77/62/78/335776278.db2.gz YLLPOJBEOJJDAF-KRWDZBQOSA-N 1 1 284.334 3.175 20 30 CGEDMO C=CCCCCCNC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000581735092 336140153 /nfs/dbraw/zinc/14/01/53/336140153.db2.gz HCIGHHIQKFQURA-MRXNPFEDSA-N 1 1 295.471 3.010 20 30 CGEDMO CCOc1ccc(O)c(C[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000131198214 521142067 /nfs/dbraw/zinc/14/20/67/521142067.db2.gz XIKCNINGQZCLCD-UHFFFAOYSA-N 1 1 296.370 3.295 20 30 CGEDMO COc1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)cc1C#N ZINC000088420303 524027308 /nfs/dbraw/zinc/02/73/08/524027308.db2.gz GEMRYWISGKKHAB-CYBMUJFWSA-N 1 1 298.308 3.341 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)cc1C#N ZINC000088420303 524027310 /nfs/dbraw/zinc/02/73/10/524027310.db2.gz GEMRYWISGKKHAB-CYBMUJFWSA-N 1 1 298.308 3.341 20 30 CGEDMO C[C@@H]1CC[N@@H+](CCCOc2cccc(C#N)c2)[C@@H]1C ZINC000156637293 524503330 /nfs/dbraw/zinc/50/33/30/524503330.db2.gz NGLZZHDJYHBELE-ZIAGYGMSSA-N 1 1 258.365 3.057 20 30 CGEDMO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000358555378 534843336 /nfs/dbraw/zinc/84/33/36/534843336.db2.gz ABKMIYSWTRTRJI-GHMZBOCLSA-N 1 1 286.354 3.151 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)c1 ZINC000291514563 526703784 /nfs/dbraw/zinc/70/37/84/526703784.db2.gz IPLNMHVBFTXLFC-MRXNPFEDSA-N 1 1 252.361 3.323 20 30 CGEDMO C=CCOc1cccc(C[N@H+](CCC)CC(C)(C)O)c1 ZINC000353420875 526897753 /nfs/dbraw/zinc/89/77/53/526897753.db2.gz WJAMZWMCLMMLHS-UHFFFAOYSA-N 1 1 277.408 3.234 20 30 CGEDMO C=CCOc1ccccc1C[N@H+](C[C@@H](C)OC)C(C)C ZINC000353819733 526928822 /nfs/dbraw/zinc/92/88/22/526928822.db2.gz UOZQHSPULLGGFI-OAHLLOKOSA-N 1 1 277.408 3.497 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCc2ccc(O)cc2C1 ZINC000351963503 526985357 /nfs/dbraw/zinc/98/53/57/526985357.db2.gz DXRGRCCFCOCOPI-UHFFFAOYSA-N 1 1 258.365 3.080 20 30 CGEDMO C=CCC(C)(C)CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000352540881 527013494 /nfs/dbraw/zinc/01/34/94/527013494.db2.gz QVKSLWFAEBDDSH-INIZCTEOSA-N 1 1 288.435 3.398 20 30 CGEDMO C=CC[C@@H](CC)NC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000366976766 527039989 /nfs/dbraw/zinc/03/99/89/527039989.db2.gz ZQKOFIGZDXZLMU-OAHLLOKOSA-N 1 1 293.455 3.001 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CCCC1 ZINC000334757372 527047401 /nfs/dbraw/zinc/04/74/01/527047401.db2.gz FCJNYCLIWDSRDS-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCCN(C)C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000347133364 527189457 /nfs/dbraw/zinc/18/94/57/527189457.db2.gz GVYGLMXPGQMJSA-HNNXBMFYSA-N 1 1 294.826 3.367 20 30 CGEDMO C=CCCCNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000344497288 527226056 /nfs/dbraw/zinc/22/60/56/527226056.db2.gz KSFQJUIRRIJMKC-AWEZNQCLSA-N 1 1 280.799 3.025 20 30 CGEDMO C=CCC[C@H](C)[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000192923712 527464550 /nfs/dbraw/zinc/46/45/50/527464550.db2.gz OSAFPNKLKFZYMM-FUHWJXTLSA-N 1 1 272.436 3.453 20 30 CGEDMO C/C(=C/c1ccccc1)C[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000426372793 527504239 /nfs/dbraw/zinc/50/42/39/527504239.db2.gz PNXAWUNILHRIHW-DHDCSXOGSA-N 1 1 279.387 3.432 20 30 CGEDMO CC(C)CCN(CCC#N)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000354667552 527711286 /nfs/dbraw/zinc/71/12/86/527711286.db2.gz GPBOTEITFQCEJG-INIZCTEOSA-N 1 1 293.455 3.039 20 30 CGEDMO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(F)c2C#N)C1(C)C ZINC000428217310 527804273 /nfs/dbraw/zinc/80/42/73/527804273.db2.gz JBEOHDAIIHEZGS-HZPDHXFCSA-N 1 1 290.382 3.333 20 30 CGEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(F)c2C#N)C1(C)C ZINC000428217310 527804277 /nfs/dbraw/zinc/80/42/77/527804277.db2.gz JBEOHDAIIHEZGS-HZPDHXFCSA-N 1 1 290.382 3.333 20 30 CGEDMO CC[N@@H+](CCOCC1CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000159315358 528564666 /nfs/dbraw/zinc/56/46/66/528564666.db2.gz PCLWXARZKPUVFK-CQSZACIVSA-N 1 1 272.392 3.368 20 30 CGEDMO CCOC(=O)CCCC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425534929 528694439 /nfs/dbraw/zinc/69/44/39/528694439.db2.gz MQVSRPLGMRIGCA-AWEZNQCLSA-N 1 1 288.391 3.284 20 30 CGEDMO CCC(CC)C[N@H+](CCC#N)Cc1cnc2n[nH]c(C)c2c1 ZINC000353424222 528749449 /nfs/dbraw/zinc/74/94/49/528749449.db2.gz SKWIZZJTUAFRKO-UHFFFAOYSA-N 1 1 299.422 3.418 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)Cc1cnc2n[nH]c(C)c2c1 ZINC000353424222 528749454 /nfs/dbraw/zinc/74/94/54/528749454.db2.gz SKWIZZJTUAFRKO-UHFFFAOYSA-N 1 1 299.422 3.418 20 30 CGEDMO CC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)CC(C)C ZINC000441189025 528890738 /nfs/dbraw/zinc/89/07/38/528890738.db2.gz MYURALWMMPIOFZ-UHFFFAOYSA-N 1 1 284.363 3.086 20 30 CGEDMO CC(C)[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1CCC1 ZINC000459368858 535087671 /nfs/dbraw/zinc/08/76/71/535087671.db2.gz DJRIXYIDVCRLDD-UHFFFAOYSA-N 1 1 273.336 3.229 20 30 CGEDMO CC(C)[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1CCC1 ZINC000459368858 535087676 /nfs/dbraw/zinc/08/76/76/535087676.db2.gz DJRIXYIDVCRLDD-UHFFFAOYSA-N 1 1 273.336 3.229 20 30 CGEDMO CC[C@@H](C)[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000104686421 535549147 /nfs/dbraw/zinc/54/91/47/535549147.db2.gz NAXUWLODTMJWDV-LLVKDONJSA-N 1 1 293.798 3.271 20 30 CGEDMO CC(=[NH+]n1cnnc1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000749853853 571727507 /nfs/dbraw/zinc/72/75/07/571727507.db2.gz XNJAMRUSBDTBEE-VIFPVBQESA-N 1 1 299.161 3.276 20 30 CGEDMO C=C(C[NH2+]Cc1cn(-c2ccccc2)nn1)c1ccccc1 ZINC000729679788 571928860 /nfs/dbraw/zinc/92/88/60/571928860.db2.gz PHURBGRZUWHMLA-UHFFFAOYSA-N 1 1 290.370 3.070 20 30 CGEDMO C=CC[N@H+](CN1C(=O)[C@H](C)[C@H]1c1ccccc1)C(C)C ZINC000743349974 572395747 /nfs/dbraw/zinc/39/57/47/572395747.db2.gz GYDRXZLCDDNJKD-ZBFHGGJFSA-N 1 1 272.392 3.060 20 30 CGEDMO C=CC[N@@H+](CN1C(=O)[C@H](C)[C@H]1c1ccccc1)C(C)C ZINC000743349974 572395752 /nfs/dbraw/zinc/39/57/52/572395752.db2.gz GYDRXZLCDDNJKD-ZBFHGGJFSA-N 1 1 272.392 3.060 20 30 CGEDMO C#CC[N@H+](Cc1cccc(NC(C)=O)c1)C1CCCCC1 ZINC000725797219 572405813 /nfs/dbraw/zinc/40/58/13/572405813.db2.gz GSSANQPVXSIKBL-UHFFFAOYSA-N 1 1 284.403 3.413 20 30 CGEDMO Cc1cc2ncn(C[N@@H+](CCC#N)C(C)C)c2cc1C ZINC000739842115 572425192 /nfs/dbraw/zinc/42/51/92/572425192.db2.gz WEPXTTNVUKWQAH-UHFFFAOYSA-N 1 1 270.380 3.235 20 30 CGEDMO Cc1cc2ncn(C[N@H+](CCC#N)C(C)C)c2cc1C ZINC000739842115 572425194 /nfs/dbraw/zinc/42/51/94/572425194.db2.gz WEPXTTNVUKWQAH-UHFFFAOYSA-N 1 1 270.380 3.235 20 30 CGEDMO C#CC[N@@H+](CCOCC1CC1)[C@H]1CCc2ccccc21 ZINC000741776703 572526279 /nfs/dbraw/zinc/52/62/79/572526279.db2.gz ONYZKUYINSLHGG-SFHVURJKSA-N 1 1 269.388 3.036 20 30 CGEDMO CC(C)Oc1cccc(C[NH2+]Cc2ccc(C#N)o2)c1 ZINC000742367015 572567575 /nfs/dbraw/zinc/56/75/75/572567575.db2.gz DBDOHLWKBWRIPU-UHFFFAOYSA-N 1 1 270.332 3.228 20 30 CGEDMO C#CCCCNC(=O)c1ccc(C[N@H+](CC)CCC)cc1 ZINC000742788439 572617685 /nfs/dbraw/zinc/61/76/85/572617685.db2.gz XFFTZCGSIBRGBT-UHFFFAOYSA-N 1 1 286.419 3.062 20 30 CGEDMO C#CC[N@H+](C[C@H](O)c1c(F)cccc1F)C1CCCCC1 ZINC000744213846 572723950 /nfs/dbraw/zinc/72/39/50/572723950.db2.gz OBFQEHFLTRDYQU-INIZCTEOSA-N 1 1 293.357 3.266 20 30 CGEDMO C#CC[N@@H+](CC)[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000746456914 572871772 /nfs/dbraw/zinc/87/17/72/572871772.db2.gz RRUKRULQMXEVOC-SNVBAGLBSA-N 1 1 299.201 3.276 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000746456914 572871775 /nfs/dbraw/zinc/87/17/75/572871775.db2.gz RRUKRULQMXEVOC-SNVBAGLBSA-N 1 1 299.201 3.276 20 30 CGEDMO C#CC[N@@H+](CC)Cc1c2ccccc2oc1C(=O)OCC ZINC000746457351 572871786 /nfs/dbraw/zinc/87/17/86/572871786.db2.gz AEFFFYFJCJWNSS-UHFFFAOYSA-N 1 1 285.343 3.065 20 30 CGEDMO C#CC[N@H+](CC)Cc1c2ccccc2oc1C(=O)OCC ZINC000746457351 572871789 /nfs/dbraw/zinc/87/17/89/572871789.db2.gz AEFFFYFJCJWNSS-UHFFFAOYSA-N 1 1 285.343 3.065 20 30 CGEDMO C#CC[N@H+](CC)Cc1cccc(OCC(F)(F)F)c1 ZINC000746456958 572871880 /nfs/dbraw/zinc/87/18/80/572871880.db2.gz TZFRUCXJQIBAAV-UHFFFAOYSA-N 1 1 271.282 3.083 20 30 CGEDMO CC(C)CO[NH+]=Cc1c(Cl)cccc1N1CCOCC1 ZINC000749631314 573025295 /nfs/dbraw/zinc/02/52/95/573025295.db2.gz KHINVTSNBYKCDD-UHFFFAOYSA-N 1 1 296.798 3.183 20 30 CGEDMO C=CC[N@H+](Cc1cnc2c(cnn2C(C)C)c1)C(C)C ZINC000749905041 573055417 /nfs/dbraw/zinc/05/54/17/573055417.db2.gz UMQBRMBHWJFEPH-UHFFFAOYSA-N 1 1 272.396 3.409 20 30 CGEDMO C=CC[N@H+](Cc1cc2c(C)nn(C)c2nc1Cl)C(C)C ZINC000749904809 573056096 /nfs/dbraw/zinc/05/60/96/573056096.db2.gz KGYAZRLCFQXIOC-UHFFFAOYSA-N 1 1 292.814 3.327 20 30 CGEDMO C=CC[N@@H+](Cc1cc2c(C)nn(C)c2nc1Cl)C(C)C ZINC000749904809 573056102 /nfs/dbraw/zinc/05/61/02/573056102.db2.gz KGYAZRLCFQXIOC-UHFFFAOYSA-N 1 1 292.814 3.327 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000750057672 573077146 /nfs/dbraw/zinc/07/71/46/573077146.db2.gz UEEREZLCCLLPOB-CABCVRRESA-N 1 1 294.439 3.426 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[N@H+](C[C@@H](C)CC)CC1 ZINC000981741003 613239998 /nfs/dbraw/zinc/23/99/98/613239998.db2.gz MLNIESIJAPOOHV-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)CC[NH+]1CC(N(CC)C(=O)c2cscc2C)C1 ZINC000949846962 613246863 /nfs/dbraw/zinc/24/68/63/613246863.db2.gz HRZAUDNASLOLBN-UHFFFAOYSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)F)CC1 ZINC000948142906 613256128 /nfs/dbraw/zinc/25/61/28/613256128.db2.gz SHYZYNAQHJOCOF-CQSZACIVSA-N 1 1 284.419 3.014 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC)C1 ZINC000963216024 613256279 /nfs/dbraw/zinc/25/62/79/613256279.db2.gz IPZSVDGNQQSCNV-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)c2sccc2F)CC1 ZINC000981103788 613256521 /nfs/dbraw/zinc/25/65/21/613256521.db2.gz IXSGRNOGKKCTHQ-UHFFFAOYSA-N 1 1 296.411 3.001 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccs2)C1 ZINC000964809321 613264105 /nfs/dbraw/zinc/26/41/05/613264105.db2.gz WDBNEUSBRPKSQR-KGLIPLIRSA-N 1 1 292.448 3.155 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCC)C2)C1 ZINC000961103237 613268501 /nfs/dbraw/zinc/26/85/01/613268501.db2.gz WBWOWCMXKKOVLD-DLBZAZTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C2CC2)C[C@@H]1C ZINC000947632637 613270445 /nfs/dbraw/zinc/27/04/45/613270445.db2.gz DFRAKZHPKOJSFZ-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)C(C)=C2CCC2)C(C)(C)C1 ZINC000974582111 613273717 /nfs/dbraw/zinc/27/37/17/613273717.db2.gz BUFSHVXTSISYDC-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)C2CCC3(CC3)CC2)C1 ZINC000971953386 613288523 /nfs/dbraw/zinc/28/85/23/613288523.db2.gz FULUTQQKEOBSIM-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC000980509346 613289798 /nfs/dbraw/zinc/28/97/98/613289798.db2.gz ZAAJBZHLRSMPGF-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2coc3ccccc23)C1 ZINC000980546087 613292025 /nfs/dbraw/zinc/29/20/25/613292025.db2.gz RAVZQMJISQRUCU-AWEZNQCLSA-N 1 1 298.386 3.155 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)[C@H]2CCCC[C@@H]2CC)CC1 ZINC000983386824 613310797 /nfs/dbraw/zinc/31/07/97/613310797.db2.gz AAUOJNDBHNREQT-IRXDYDNUSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)c2sccc2Cl)CC1 ZINC000981219900 613313591 /nfs/dbraw/zinc/31/35/91/613313591.db2.gz UEZJPHCDSFPQTI-UHFFFAOYSA-N 1 1 298.839 3.126 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)c2sccc2Cl)CC1 ZINC000981219900 613313594 /nfs/dbraw/zinc/31/35/94/613313594.db2.gz UEZJPHCDSFPQTI-UHFFFAOYSA-N 1 1 298.839 3.126 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCC)C1 ZINC000963244852 613314693 /nfs/dbraw/zinc/31/46/93/613314693.db2.gz RIYVIACGDGKNHG-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)=C2CCCC2)C1 ZINC000965885152 613325115 /nfs/dbraw/zinc/32/51/15/613325115.db2.gz CRTMELKDFWCZOB-RHSMWYFYSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C(C)=C2CCC2)C[C@H]1C ZINC000947301822 613326782 /nfs/dbraw/zinc/32/67/82/613326782.db2.gz ZMUGPKKYRJEJDW-CZUORRHYSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)CC2=CCCCC2)[C@H](C)C1 ZINC000941897725 613327139 /nfs/dbraw/zinc/32/71/39/613327139.db2.gz YIYGLSSTFSDDIK-NVXWUHKLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2C(C)(C)C2(C)C)[C@H](C)C1 ZINC000941934029 613327145 /nfs/dbraw/zinc/32/71/45/613327145.db2.gz FBVFXOBLCNAXBB-ZIAGYGMSSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)s2)C[C@@H]1C ZINC000947000248 613329744 /nfs/dbraw/zinc/32/97/44/613329744.db2.gz GOSQVAASJQAELF-GXTWGEPZSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C)s2)[C@H](C)C1 ZINC000941753359 613329859 /nfs/dbraw/zinc/32/98/59/613329859.db2.gz XYKRULVSLPIBNM-TZMCWYRMSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccsc2C)[C@@H](C)C1 ZINC000942030890 613330702 /nfs/dbraw/zinc/33/07/02/613330702.db2.gz DJUNMJFCQLKYPX-SWLSCSKDSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2csc(C)c2)C[C@@H]1C ZINC000947809977 613331267 /nfs/dbraw/zinc/33/12/67/613331267.db2.gz HWTDUJCIKGHGFF-SWLSCSKDSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C2(C)CC=CC2)C(C)(C)C1 ZINC000941002284 613334761 /nfs/dbraw/zinc/33/47/61/613334761.db2.gz GXNSBSCSEGVBEN-HNNXBMFYSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2CCC=CCC2)C[C@@H]1C ZINC000948047903 613334923 /nfs/dbraw/zinc/33/49/23/613334923.db2.gz MIILPRIEGSDOKF-RDJZCZTQSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC(C)C)C2)C1 ZINC000961105774 613337673 /nfs/dbraw/zinc/33/76/73/613337673.db2.gz BFULEMOIYXFDTQ-SJORKVTESA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccc(C)cc2)C(C)(C)C1 ZINC000977518166 613338615 /nfs/dbraw/zinc/33/86/15/613338615.db2.gz XWSAAOPHBDNZIQ-MRXNPFEDSA-N 1 1 286.419 3.011 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)C=C2CCCCC2)C(C)(C)C1 ZINC000972846467 613341559 /nfs/dbraw/zinc/34/15/59/613341559.db2.gz QJWFRCDLFLYUTN-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)[C@H]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975027041 613341684 /nfs/dbraw/zinc/34/16/84/613341684.db2.gz NOQIZAWNLWFYRI-GJZGRUSLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@]2(C)CC=CCC2)C1 ZINC000971597276 613369013 /nfs/dbraw/zinc/36/90/13/613369013.db2.gz PYSKHZBQDWMPGR-GDBMZVCRSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@]2(C)CC=CCC2)C1 ZINC000971597276 613369014 /nfs/dbraw/zinc/36/90/14/613369014.db2.gz PYSKHZBQDWMPGR-GDBMZVCRSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)CCC2CCCC2)C1 ZINC000970998650 613369545 /nfs/dbraw/zinc/36/95/45/613369545.db2.gz DQWFGWJKAXWVTF-HNNXBMFYSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)CCC2CCCC2)C1 ZINC000970998650 613369546 /nfs/dbraw/zinc/36/95/46/613369546.db2.gz DQWFGWJKAXWVTF-HNNXBMFYSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](C/C=C/Cl)[C@H](C)C2)C1 ZINC000947701372 613396807 /nfs/dbraw/zinc/39/68/07/613396807.db2.gz AJZRDPLTZHVTLQ-IOKDEZFASA-N 1 1 296.842 3.064 20 30 CGEDMO C=C1CCC(C(=O)N(C)[C@H]2CCC[N@H+](CC)CC2)CC1 ZINC000948747234 613403278 /nfs/dbraw/zinc/40/32/78/613403278.db2.gz RZJURASPQFKNTH-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CCC3CC3)C2)CC1 ZINC000972235060 613405499 /nfs/dbraw/zinc/40/54/99/613405499.db2.gz KOHAYCHIXCONAX-QGZVFWFLSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[N@H+](CCC(C)(C)C)CC1 ZINC000981753618 613430978 /nfs/dbraw/zinc/43/09/78/613430978.db2.gz IVMKFYOFMNRPLA-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CCC)C1 ZINC000963341783 613432804 /nfs/dbraw/zinc/43/28/04/613432804.db2.gz YVYRXSODRLHKNU-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1C[C@]2(C)C[N@H+](C(C)C)C[C@]2(C)C1 ZINC000982523658 613476240 /nfs/dbraw/zinc/47/62/40/613476240.db2.gz VOGGNXLGRMWOPO-OKZBNKHCSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCC=CCCC2)C1 ZINC000950611839 613477375 /nfs/dbraw/zinc/47/73/75/613477375.db2.gz KQQPRTYGDODLDV-MRXNPFEDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC000957434411 613478042 /nfs/dbraw/zinc/47/80/42/613478042.db2.gz XBGMZSDTDMKQTO-ZSHCYNCHSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)c2ccc(C3CC3)cc2)C1 ZINC000957413899 613479563 /nfs/dbraw/zinc/47/95/63/613479563.db2.gz ZLQAOJHCIINSKM-UHFFFAOYSA-N 1 1 298.430 3.286 20 30 CGEDMO C=CCC[N@@H+]1CCCC2(CN(C(=O)c3ccc(C)cc3)C2)C1 ZINC000982128548 613489754 /nfs/dbraw/zinc/48/97/54/613489754.db2.gz JZDFUKPWHOMOFV-UHFFFAOYSA-N 1 1 298.430 3.109 20 30 CGEDMO C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC000968744397 613491184 /nfs/dbraw/zinc/49/11/84/613491184.db2.gz IILXSSNJVLKTEY-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC=CCC2)CC1 ZINC000948169688 613499509 /nfs/dbraw/zinc/49/95/09/613499509.db2.gz PXBFNAGWUJEXKG-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[N@@H+](CC=C(C)C)CC1 ZINC000981887943 613501911 /nfs/dbraw/zinc/50/19/11/613501911.db2.gz UVIWALXHRULSKT-QGZVFWFLSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(F)=C2CCCC2)C1 ZINC000965901560 613514533 /nfs/dbraw/zinc/51/45/33/613514533.db2.gz VOWQMGAXYCQREL-HIFRSBDPSA-N 1 1 294.414 3.187 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC000967997013 613515504 /nfs/dbraw/zinc/51/55/04/613515504.db2.gz UACQIUKNSGPZIO-ZBFHGGJFSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(C)cc2)C1 ZINC000968578056 613518093 /nfs/dbraw/zinc/51/80/93/613518093.db2.gz BGAOGPIQPTYGEO-NVXWUHKLSA-N 1 1 286.419 3.011 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C2(C3CC3)CCC2)C[C@@H]1C ZINC000947576852 613519495 /nfs/dbraw/zinc/51/94/95/613519495.db2.gz RYMXYUYKPYZRNL-GOEBONIOSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C)c2)C[C@H]1C ZINC000947022153 613524757 /nfs/dbraw/zinc/52/47/57/613524757.db2.gz RVLQDXHHGUFWFY-NVXWUHKLSA-N 1 1 286.419 3.154 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cscc2C)C1 ZINC000965769185 613532501 /nfs/dbraw/zinc/53/25/01/613532501.db2.gz WSZNSULVZFYQKJ-SWLSCSKDSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CC2CCCC2)C[C@@H]1C ZINC000946999478 613534819 /nfs/dbraw/zinc/53/48/19/613534819.db2.gz ACUSTLUDYUKBIN-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2c(C)coc2C)C[C@H]1C ZINC000947271463 613537319 /nfs/dbraw/zinc/53/73/19/613537319.db2.gz IZDLNGWOWHYQEX-HIFRSBDPSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(C)c2)C[C@@H]1C ZINC000947022154 613539199 /nfs/dbraw/zinc/53/91/99/613539199.db2.gz RVLQDXHHGUFWFY-RDJZCZTQSA-N 1 1 286.419 3.154 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1 ZINC000972483362 613618984 /nfs/dbraw/zinc/61/89/84/613618984.db2.gz SKSJHWOEBVWIFT-DAYGRLMNSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)c2sccc2C(C)C)C1 ZINC000980465056 613640838 /nfs/dbraw/zinc/64/08/38/613640838.db2.gz FEGQGMWZAJJWJD-ZDUSSCGKSA-N 1 1 292.448 3.204 20 30 CGEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)C3(C)CCCCC3)C2)C1 ZINC000981982406 613677714 /nfs/dbraw/zinc/67/77/14/613677714.db2.gz UDIXBIYGDOQMLF-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)C1CCC(F)CC1 ZINC000969014374 613685245 /nfs/dbraw/zinc/68/52/45/613685245.db2.gz ZHTKQAITFLIHQD-GPANFISMSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccsc1C ZINC000968849809 613686987 /nfs/dbraw/zinc/68/69/87/613686987.db2.gz HDLHATBKFWJKFQ-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000961418975 613700322 /nfs/dbraw/zinc/70/03/22/613700322.db2.gz DKYKDTMZKHGGMD-MRXNPFEDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)C2(C)CCCCC2)CC1 ZINC000948743469 613700384 /nfs/dbraw/zinc/70/03/84/613700384.db2.gz VLOXFRGAGVXAIL-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)c2ccc(C=C)cc2)CC1 ZINC000948800592 613705109 /nfs/dbraw/zinc/70/51/09/613705109.db2.gz UZCJDEAQYZTLQP-SFHVURJKSA-N 1 1 298.430 3.442 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)CC2CCCCCC2)C1 ZINC000968365276 613728115 /nfs/dbraw/zinc/72/81/15/613728115.db2.gz MCQIIEFGZQBCPA-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)CC2=CCCCC2)C[C@H]1C ZINC000947144735 613741669 /nfs/dbraw/zinc/74/16/69/613741669.db2.gz UTXQTUCKLBEPDO-GDBMZVCRSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C[C@@H]1C ZINC000947953414 613745871 /nfs/dbraw/zinc/74/58/71/613745871.db2.gz NWHNQRWDELQBRR-LUKYLMHMSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cc(Cl)cs2)C[C@H]1C ZINC000947776055 613750296 /nfs/dbraw/zinc/75/02/96/613750296.db2.gz SZLKVIXCVFAIRW-ZYHUDNBSSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(Cl)c2)C[C@@H]1C ZINC000947961558 613753921 /nfs/dbraw/zinc/75/39/21/613753921.db2.gz CHUOORYPLVBWHK-SWLSCSKDSA-N 1 1 292.810 3.109 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)c2csc(Cl)c2)[C@H](C)C1 ZINC000943332839 613760181 /nfs/dbraw/zinc/76/01/81/613760181.db2.gz FNHVIDXJWKNTJD-ZYHUDNBSSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc([C@H](C)CC)cc1 ZINC000962813244 613842180 /nfs/dbraw/zinc/84/21/80/613842180.db2.gz OMCQEZXNGSDWGF-ZSGPHXLJSA-N 1 1 298.430 3.046 20 30 CGEDMO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@H](C)CC(C)(C)C#N ZINC000924765370 620731238 /nfs/dbraw/zinc/73/12/38/620731238.db2.gz LTODGBKCCLPHIS-RBSFLKMASA-N 1 1 265.445 3.025 20 30 CGEDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)N[C@H](C)CC(C)(C)C#N ZINC000924765370 620731239 /nfs/dbraw/zinc/73/12/39/620731239.db2.gz LTODGBKCCLPHIS-RBSFLKMASA-N 1 1 265.445 3.025 20 30 CGEDMO C=CCCCCCCNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000807571016 617856768 /nfs/dbraw/zinc/85/67/68/617856768.db2.gz YFPVYGXNCHZKIR-HZPDHXFCSA-N 1 1 295.471 3.105 20 30 CGEDMO C=C(C)c1cccc(NC(=O)[C@@]23CC[N@@H+](C2)CCC3)c1 ZINC000890889342 617891060 /nfs/dbraw/zinc/89/10/60/617891060.db2.gz SQSOQHQBVCUUJZ-KRWDZBQOSA-N 1 1 270.376 3.144 20 30 CGEDMO C[N@H+]1CCCC[C@H]1C(=O)N(O)Cc1cccc2ccccc21 ZINC000900091665 620761517 /nfs/dbraw/zinc/76/15/17/620761517.db2.gz HCALPCIGLWHBJX-KRWDZBQOSA-N 1 1 298.386 3.042 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CCCC2)C1 ZINC001021491555 618011599 /nfs/dbraw/zinc/01/15/99/618011599.db2.gz CDSLQOYMRLJJCA-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CCCC2)C1 ZINC001021491556 618011799 /nfs/dbraw/zinc/01/17/99/618011799.db2.gz CDSLQOYMRLJJCA-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC2CC2)C1 ZINC001021494984 618012217 /nfs/dbraw/zinc/01/22/17/618012217.db2.gz FYWZIHYLSAZZOO-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC(C)C)C1 ZINC001021506010 618015524 /nfs/dbraw/zinc/01/55/24/618015524.db2.gz QNAFRHHYSSWYLP-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCC2CCC2)C1 ZINC001021554216 618038624 /nfs/dbraw/zinc/03/86/24/618038624.db2.gz LOQJXTPPVJOVAG-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(F)=C(C)C)C1 ZINC001021564674 618046429 /nfs/dbraw/zinc/04/64/29/618046429.db2.gz ZYAPAZSJIZMZGZ-GJZGRUSLSA-N 1 1 294.414 3.139 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc2c1OCC2 ZINC000891604511 618241309 /nfs/dbraw/zinc/24/13/09/618241309.db2.gz ITCLNEYTNWJYTM-UHFFFAOYSA-N 1 1 278.355 3.125 20 30 CGEDMO CCn1cc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c(C)n1 ZINC000891624726 618242810 /nfs/dbraw/zinc/24/28/10/618242810.db2.gz FPNOVVNCHIHGHB-UHFFFAOYSA-N 1 1 296.418 3.494 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1c2c(nn1C)CCC2 ZINC000892068530 618517176 /nfs/dbraw/zinc/51/71/76/618517176.db2.gz ASTLHTMPMBBGBG-UHFFFAOYSA-N 1 1 261.413 3.087 20 30 CGEDMO C=C1CCC(C(=O)N(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC000900799830 620813787 /nfs/dbraw/zinc/81/37/87/620813787.db2.gz LLHFFJJTNDSNTB-HOCLYGCPSA-N 1 1 278.440 3.064 20 30 CGEDMO Cc1cc(C[N@H+]2CC[C@H](Cc3nccs3)C2)ccc1C#N ZINC000934333733 618596716 /nfs/dbraw/zinc/59/67/16/618596716.db2.gz QQEAAHAFOZQKAY-OAHLLOKOSA-N 1 1 297.427 3.388 20 30 CGEDMO C#CC[N@H+](Cc1cccn1C)[C@H]1CCc2ccccc21 ZINC000127544920 618619750 /nfs/dbraw/zinc/61/97/50/618619750.db2.gz GZCKPBOLLYVJSB-SFHVURJKSA-N 1 1 264.372 3.148 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1CCC(=O)Nc1ccc(OCC)cc1 ZINC000934461072 618623894 /nfs/dbraw/zinc/62/38/94/618623894.db2.gz PMDBVKXULMXJLH-OAHLLOKOSA-N 1 1 288.391 3.064 20 30 CGEDMO C[C@H](CC/N=C/c1cc(Cl)cc(Cl)c1O)[NH+](C)C ZINC000849170841 618683516 /nfs/dbraw/zinc/68/35/16/618683516.db2.gz VWVVTZABPYPVJF-PTPOTIKZSA-N 1 1 289.206 3.458 20 30 CGEDMO C=C[C@H](C)OC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000781578367 618714415 /nfs/dbraw/zinc/71/44/15/618714415.db2.gz ATQYRWINBLYZIW-DZGCQCFKSA-N 1 1 261.365 3.187 20 30 CGEDMO Oc1ccccc1/C=N\C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000255692687 618777836 /nfs/dbraw/zinc/77/78/36/618777836.db2.gz BZRONSYOQCBJRZ-RXWSAZGZSA-N 1 1 294.398 3.476 20 30 CGEDMO C=CCSCC[NH2+]Cc1csc(C(F)(F)F)n1 ZINC000892941654 618958709 /nfs/dbraw/zinc/95/87/09/618958709.db2.gz GBMAHAFDSOHQIJ-UHFFFAOYSA-N 1 1 282.356 3.171 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000775183210 619005981 /nfs/dbraw/zinc/00/59/81/619005981.db2.gz KAQPSFROZOVVOE-NSHDSACASA-N 1 1 273.767 3.184 20 30 CGEDMO C=C(C)C[N@@H+](C)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000181245358 619023612 /nfs/dbraw/zinc/02/36/12/619023612.db2.gz WIGBVVOMOSKGBV-UHFFFAOYSA-N 1 1 299.418 3.058 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000181245358 619023614 /nfs/dbraw/zinc/02/36/14/619023614.db2.gz WIGBVVOMOSKGBV-UHFFFAOYSA-N 1 1 299.418 3.058 20 30 CGEDMO CCCCCCCC[N@H+]1CCN(C(C)=O)CC1(C)C ZINC000775561241 619076600 /nfs/dbraw/zinc/07/66/00/619076600.db2.gz ASFVDHYLKUIPDU-UHFFFAOYSA-N 1 1 268.445 3.290 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](C[C@@H]2CCCC3(CCC3)O2)C1 ZINC000930923450 619092830 /nfs/dbraw/zinc/09/28/30/619092830.db2.gz HZLPVYUPOFMCCI-GJZGRUSLSA-N 1 1 262.397 3.104 20 30 CGEDMO Cc1cc(N(C)C)ccc1C[N@@H+](CCC#N)CC1CC1 ZINC000840912969 619125501 /nfs/dbraw/zinc/12/55/01/619125501.db2.gz ANQRKLQEPUYIBN-UHFFFAOYSA-N 1 1 271.408 3.187 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(OC)o1 ZINC000893420477 619170589 /nfs/dbraw/zinc/17/05/89/619170589.db2.gz KFARQKXFFRVSGE-UHFFFAOYSA-N 1 1 261.321 3.112 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001009663960 619184596 /nfs/dbraw/zinc/18/45/96/619184596.db2.gz VLXPEARTHXVBFF-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[C@@H](NC1CC[NH2+]CC1)c1ccccc1 ZINC000925765253 619226114 /nfs/dbraw/zinc/22/61/14/619226114.db2.gz MDFAOHFTXUEGOK-QGZVFWFLSA-N 1 1 258.409 3.426 20 30 CGEDMO N#CCC[NH2+]Cc1cc2c(cc(F)cc2Br)[nH]1 ZINC000894082901 619365104 /nfs/dbraw/zinc/36/51/04/619365104.db2.gz JSOWZUDNSKEFRN-UHFFFAOYSA-N 1 1 296.143 3.073 20 30 CGEDMO CCCCCCCCC[NH+]1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000792220886 619632280 /nfs/dbraw/zinc/63/22/80/619632280.db2.gz WAFDWWATAQNCIM-ROUUACIJSA-N 1 1 296.499 3.268 20 30 CGEDMO CC[C@H](C)CON=C1CC[NH+](Cc2ccccn2)CC1 ZINC000793147162 619693164 /nfs/dbraw/zinc/69/31/64/619693164.db2.gz ZXDZZJTVGADCQH-AWEZNQCLSA-N 1 1 275.396 3.096 20 30 CGEDMO COCCCCCO[NH+]=C(N)C1CCCCCC1 ZINC000179003449 619734215 /nfs/dbraw/zinc/73/42/15/619734215.db2.gz RFRDHYWWFFGZOC-UHFFFAOYSA-N 1 1 256.390 3.062 20 30 CGEDMO C[C@H](O[NH+]=C(N)C1CCCCCC1)c1nc(C2CC2)no1 ZINC000179005299 619734747 /nfs/dbraw/zinc/73/47/47/619734747.db2.gz YTQMWDKCDQTXPI-JTQLQIEISA-N 1 1 292.383 3.267 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000895337978 619807068 /nfs/dbraw/zinc/80/70/68/619807068.db2.gz MZGHNXXLSXLMMI-ZDUSSCGKSA-N 1 1 291.391 3.198 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](CF)C2)cc1 ZINC000895545147 619846816 /nfs/dbraw/zinc/84/68/16/619846816.db2.gz CPBARBHMFVFEOT-UKRRQHHQSA-N 1 1 276.355 3.159 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000895717520 619874867 /nfs/dbraw/zinc/87/48/67/619874867.db2.gz SCSYGJMFHRDHJM-NVXWUHKLSA-N 1 1 278.440 3.455 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895846610 619896053 /nfs/dbraw/zinc/89/60/53/619896053.db2.gz REGLVYVUOUPHIS-FUHWJXTLSA-N 1 1 287.403 3.252 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000896503982 620018159 /nfs/dbraw/zinc/01/81/59/620018159.db2.gz QOBKVHQSXYYPHB-INIZCTEOSA-N 1 1 277.371 3.484 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000896503982 620018162 /nfs/dbraw/zinc/01/81/62/620018162.db2.gz QOBKVHQSXYYPHB-INIZCTEOSA-N 1 1 277.371 3.484 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000896503522 620018253 /nfs/dbraw/zinc/01/82/53/620018253.db2.gz KQHPFCLQDVHCMA-ZDUSSCGKSA-N 1 1 266.344 3.281 20 30 CGEDMO Cc1cc(N2CCC(c3ccc(C#N)cc3)CC2)nc(C)[nH+]1 ZINC000896864224 620079208 /nfs/dbraw/zinc/07/92/08/620079208.db2.gz BUGFHAQMVOQHKV-UHFFFAOYSA-N 1 1 292.386 3.349 20 30 CGEDMO C#Cc1ccc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000897136052 620150765 /nfs/dbraw/zinc/15/07/65/620150765.db2.gz GPKNDMMMNCKRFW-KBPBESRZSA-N 1 1 274.795 3.360 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)c2cscc2C)CC1 ZINC000985360071 620177010 /nfs/dbraw/zinc/17/70/10/620177010.db2.gz AWXBNVAJSWGGIO-UHFFFAOYSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2CC(C)(C)C)CC1 ZINC000985442867 620190539 /nfs/dbraw/zinc/19/05/39/620190539.db2.gz UZIIJASDYONVJA-GOEBONIOSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2CCCC23CC3)CC1 ZINC000985492577 620200190 /nfs/dbraw/zinc/20/01/90/620200190.db2.gz NTQPVANCKNYGSN-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)C2(C(C)C)CC2)CC1 ZINC000985635487 620223897 /nfs/dbraw/zinc/22/38/97/620223897.db2.gz CJDOUAAZYJCGSU-UHFFFAOYSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@H]2C[C@]2(C)CC)CC1 ZINC000985727372 620232666 /nfs/dbraw/zinc/23/26/66/620232666.db2.gz MTJGKLFMJDAMRJ-ZBFHGGJFSA-N 1 1 298.858 3.098 20 30 CGEDMO CC[C@H]([NH2+]Cc1ccc(F)cn1)c1cccc(C#N)c1O ZINC000925284996 620354536 /nfs/dbraw/zinc/35/45/36/620354536.db2.gz KJFNLLTZNUQUKM-HNNXBMFYSA-N 1 1 285.322 3.039 20 30 CGEDMO CC(C)(CCC#N)C[N@@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC000898167713 620485067 /nfs/dbraw/zinc/48/50/67/620485067.db2.gz MWXNFMAUWVWOAI-HNNXBMFYSA-N 1 1 298.434 3.196 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)C[C@H]2CCCC(C)(C)C2)CC1 ZINC000989483144 620513921 /nfs/dbraw/zinc/51/39/21/620513921.db2.gz NBZRYMBFQJKBDW-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO COc1ccc(C)cc1C[NH2+]Cc1csc(C#N)c1 ZINC000921501805 625450950 /nfs/dbraw/zinc/45/09/50/625450950.db2.gz MCUSKNHMMMTNOC-UHFFFAOYSA-N 1 1 272.373 3.227 20 30 CGEDMO C=CCCC[N@H+](CC)Cn1ccc(-c2nccs2)n1 ZINC000902669959 621396379 /nfs/dbraw/zinc/39/63/79/621396379.db2.gz VQRPMUAEVSPIDH-UHFFFAOYSA-N 1 1 276.409 3.252 20 30 CGEDMO CC[C@@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cccc(C#N)c1 ZINC000902742160 621422298 /nfs/dbraw/zinc/42/22/98/621422298.db2.gz KZFIZTWRVZQUJA-CRAIPNDOSA-N 1 1 283.419 3.083 20 30 CGEDMO C[C@@H]([NH2+][C@@H]1CSc2ccccc21)c1cc(C#N)ccn1 ZINC000902809253 621443265 /nfs/dbraw/zinc/44/32/65/621443265.db2.gz RAPSVFAKSUUWIT-IAQYHMDHSA-N 1 1 281.384 3.451 20 30 CGEDMO Cc1ccncc1[C@H](C)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902849167 621471921 /nfs/dbraw/zinc/47/19/21/621471921.db2.gz HKCVIYICFKXEFD-QWHCGFSZSA-N 1 1 266.348 3.069 20 30 CGEDMO CC[C@@H]([NH2+][C@@H](C)Cc1cc(C)[nH]n1)c1cccc(C#N)c1 ZINC000902880130 621482145 /nfs/dbraw/zinc/48/21/45/621482145.db2.gz DAALZYSQDZMQAN-YVEFUNNKSA-N 1 1 282.391 3.262 20 30 CGEDMO CC[C@@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1cccc(C#N)c1 ZINC000902882392 621482814 /nfs/dbraw/zinc/48/28/14/621482814.db2.gz UUVSHAMVQVJGAO-CVEARBPZSA-N 1 1 280.375 3.400 20 30 CGEDMO CC[C@@H](N[C@H](C)C[N@H+](C)C(C)C)c1cccc(C#N)c1 ZINC000902992020 621514036 /nfs/dbraw/zinc/51/40/36/621514036.db2.gz FMVYWQGJKQKVQD-RHSMWYFYSA-N 1 1 273.424 3.328 20 30 CGEDMO CC[C@@H](N[C@H](C)C[N@@H+](C)C(C)C)c1cccc(C#N)c1 ZINC000902992020 621514042 /nfs/dbraw/zinc/51/40/42/621514042.db2.gz FMVYWQGJKQKVQD-RHSMWYFYSA-N 1 1 273.424 3.328 20 30 CGEDMO CC[C@@H]([NH2+][C@H](C)c1ccn(C)n1)c1cccc(C#N)c1 ZINC000903017837 621521267 /nfs/dbraw/zinc/52/12/67/621521267.db2.gz SSOLYGQLIKLGSU-IUODEOHRSA-N 1 1 268.364 3.094 20 30 CGEDMO N#CC1(C[NH2+][C@H]2CCCOc3cc(F)ccc32)CCC1 ZINC000903033489 621536117 /nfs/dbraw/zinc/53/61/17/621536117.db2.gz VJCZZDKUUWWXLJ-AWEZNQCLSA-N 1 1 274.339 3.323 20 30 CGEDMO C#C[C@@H](C)Nc1[nH+]cnc2c1c(C)c(C)n2Cc1ccco1 ZINC000185959666 625497448 /nfs/dbraw/zinc/49/74/48/625497448.db2.gz CLWZNFQLVKVOJW-LLVKDONJSA-N 1 1 294.358 3.123 20 30 CGEDMO CCc1nc(C)c([C@H](C)[NH2+]CC(C)(C)C#N)s1 ZINC000903100023 621573149 /nfs/dbraw/zinc/57/31/49/621573149.db2.gz GGAJEJVDESFDDV-VIFPVBQESA-N 1 1 251.399 3.214 20 30 CGEDMO C[C@@H]([NH2+]CC(C)(C)C#N)c1nccc2ccccc21 ZINC000903102091 621576015 /nfs/dbraw/zinc/57/60/15/621576015.db2.gz RZURVVARRQOBIA-GFCCVEGCSA-N 1 1 253.349 3.435 20 30 CGEDMO COc1ccc([C@H](C)[NH2+]CC2(C#N)CC2)cc1Cl ZINC000903102182 621576087 /nfs/dbraw/zinc/57/60/87/621576087.db2.gz TZWWUCJJYWNPLE-JTQLQIEISA-N 1 1 264.756 3.303 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CC1)c1nccc2ccccc21 ZINC000903106001 621577878 /nfs/dbraw/zinc/57/78/78/621577878.db2.gz KTNAZIKFPDPCCK-LBPRGKRZSA-N 1 1 251.333 3.189 20 30 CGEDMO N#CC1(C[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000903105227 621578334 /nfs/dbraw/zinc/57/83/34/621578334.db2.gz AWZRAMSQDFWVGA-MRXNPFEDSA-N 1 1 292.386 3.143 20 30 CGEDMO COc1ccc(OC)c([C@H](C)[NH2+]CC2(C#N)CCCC2)c1 ZINC000903107744 621581164 /nfs/dbraw/zinc/58/11/64/621581164.db2.gz DCVJUUVQGYYHEA-ZDUSSCGKSA-N 1 1 288.391 3.438 20 30 CGEDMO C[C@H]1C[C@@H](Nc2ccc(CCC#N)cc2)CC[N@H+]1C ZINC000903298172 621666346 /nfs/dbraw/zinc/66/63/46/621666346.db2.gz OZEBZPKGFZDQMW-BBRMVZONSA-N 1 1 257.381 3.037 20 30 CGEDMO C[C@@H]1C[C@H](Nc2ccc(CCC#N)cc2)CC[N@H+]1C ZINC000903298174 621666762 /nfs/dbraw/zinc/66/67/62/621666762.db2.gz OZEBZPKGFZDQMW-CZUORRHYSA-N 1 1 257.381 3.037 20 30 CGEDMO C[C@H]([NH2+][C@H](c1ncccn1)C1CC1)c1ccc(C#N)cc1 ZINC000903324893 621678473 /nfs/dbraw/zinc/67/84/73/621678473.db2.gz FSHHQZVNYLTETG-LRDDRELGSA-N 1 1 278.359 3.150 20 30 CGEDMO C[C@H]([NH2+][C@H](c1ccccn1)C1CC1)c1cccc(C#N)c1O ZINC000903335197 621691168 /nfs/dbraw/zinc/69/11/68/621691168.db2.gz MDKHIAXXSNHDEV-SJCJKPOMSA-N 1 1 293.370 3.461 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(Cc2ccccc2F)no1 ZINC000904514361 621928062 /nfs/dbraw/zinc/92/80/62/621928062.db2.gz MQSJJDYBXYSPEJ-CYBMUJFWSA-N 1 1 275.327 3.156 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(COc2ccccc2C)no1 ZINC000904623692 621941792 /nfs/dbraw/zinc/94/17/92/621941792.db2.gz RKSSNRMYSMJLEH-CYBMUJFWSA-N 1 1 287.363 3.313 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ncccc2CC)no1 ZINC000904605785 621944330 /nfs/dbraw/zinc/94/43/30/621944330.db2.gz FGZLLGLAVIRLGQ-LBPRGKRZSA-N 1 1 272.352 3.050 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(-c2cc(CC)ccn2)no1 ZINC000904713736 621960505 /nfs/dbraw/zinc/96/05/05/621960505.db2.gz WUKMCEUICTUTIF-LBPRGKRZSA-N 1 1 272.352 3.050 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(Cc2cc(C)ccc2F)no1 ZINC000904731741 621967520 /nfs/dbraw/zinc/96/75/20/621967520.db2.gz JKABPAKCUFSZQT-AWEZNQCLSA-N 1 1 289.354 3.464 20 30 CGEDMO C=C(C[NH2+][C@@H](C)c1cn(C(C)C)nn1)c1ccccc1 ZINC000924839927 622537021 /nfs/dbraw/zinc/53/70/21/622537021.db2.gz ANLRMVGORAUFBX-AWEZNQCLSA-N 1 1 270.380 3.223 20 30 CGEDMO C#C[C@H](CC)[NH2+]Cc1c(F)ccc(Br)c1F ZINC000230312783 623232488 /nfs/dbraw/zinc/23/24/88/623232488.db2.gz MSXKEFVIODQFNQ-MRVPVSSYSA-N 1 1 288.135 3.229 20 30 CGEDMO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(F)cc1O ZINC000062747685 623266384 /nfs/dbraw/zinc/26/63/84/623266384.db2.gz IGEAZRVKGRUVTR-LLVKDONJSA-N 1 1 270.307 3.254 20 30 CGEDMO C=C1CCC(C(=O)N[C@]23CCC[C@H]2[N@@H+](CCC)CC3)CC1 ZINC000992156090 623454395 /nfs/dbraw/zinc/45/43/95/623454395.db2.gz VENHXYJYCOIZQQ-AEFFLSMTSA-N 1 1 290.451 3.256 20 30 CGEDMO CN(C)[C@H](C[NH2+]Cc1csc(C#N)c1)C1CCCCC1 ZINC000921540379 625658893 /nfs/dbraw/zinc/65/88/93/625658893.db2.gz GVBJAXAUEIKXEU-MRXNPFEDSA-N 1 1 291.464 3.220 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@H](C)c3ccccc3)CCC[C@@H]12 ZINC000992438956 623562188 /nfs/dbraw/zinc/56/21/88/623562188.db2.gz MQVLUYWMXZJLSQ-SZVBFZGTSA-N 1 1 298.430 3.089 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2cccc(C)c2)[C@H]1C ZINC000992979404 623768182 /nfs/dbraw/zinc/76/81/82/623768182.db2.gz DMKQBNKWPGLZLB-WBVHZDCISA-N 1 1 286.419 3.154 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2ccsc2)[C@@H]1C ZINC000993051263 623806101 /nfs/dbraw/zinc/80/61/01/623806101.db2.gz HLUWBPVBXDXFGN-ZFWWWQNUSA-N 1 1 292.448 3.297 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2cc(C)oc2C)[C@@H]1C ZINC000993051278 623806776 /nfs/dbraw/zinc/80/67/76/623806776.db2.gz RWWQGHPBSWLZLN-BBRMVZONSA-N 1 1 290.407 3.055 20 30 CGEDMO CCC(=[NH+]OC[C@@H]1CCOC1)c1ccc(Cl)c(N)c1 ZINC000814912125 623817159 /nfs/dbraw/zinc/81/71/59/623817159.db2.gz KFIOCUGECWHPNB-SNVBAGLBSA-N 1 1 282.771 3.089 20 30 CGEDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1CC1CCC(C#N)CC1 ZINC000929834968 623818156 /nfs/dbraw/zinc/81/81/56/623818156.db2.gz OILRMQBRNYBOKS-VMBOVVBDSA-N 1 1 286.423 3.195 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CC1(Cl)Cl ZINC000914799249 623861531 /nfs/dbraw/zinc/86/15/31/623861531.db2.gz QCRMQKSZIWDGEN-LBPRGKRZSA-N 1 1 269.175 3.184 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C(C)=C2CCCC2)[C@H]1C ZINC000993191147 623907440 /nfs/dbraw/zinc/90/74/40/623907440.db2.gz AFUZMUUKSWXBEP-GDBMZVCRSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C(F)=C2CCCC2)[C@H]1C ZINC000993232370 623992198 /nfs/dbraw/zinc/99/21/98/623992198.db2.gz MRDMIGGNVJHDNJ-HIFRSBDPSA-N 1 1 294.414 3.329 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2sccc2F)[C@@H]1C ZINC000993263913 623997903 /nfs/dbraw/zinc/99/79/03/623997903.db2.gz LCGQVOHNOQJGQC-AAEUAGOBSA-N 1 1 296.411 3.046 20 30 CGEDMO C#CC[N@@H+]1CC=C(c2ccccc2C(F)(F)F)CC1 ZINC000153632122 624007445 /nfs/dbraw/zinc/00/74/45/624007445.db2.gz BQZYUEFXLIQJQE-UHFFFAOYSA-N 1 1 265.278 3.428 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2cocc2C)[C@@H]1C ZINC000993701201 624058774 /nfs/dbraw/zinc/05/87/74/624058774.db2.gz MPVPLXLOXCPXIN-GOEBONIOSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC3CC3)[C@@H]2C)CC1 ZINC000993747113 624060642 /nfs/dbraw/zinc/06/06/42/624060642.db2.gz WLAZOCDKIMBNSK-RHSMWYFYSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](CC=C(C)C)[C@@H]2C)C1 ZINC000993782604 624061934 /nfs/dbraw/zinc/06/19/34/624061934.db2.gz ADUZOJJRMLSKJT-HZPDHXFCSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2csc(C)c2)[C@@H]1C ZINC000994014585 624067545 /nfs/dbraw/zinc/06/75/45/624067545.db2.gz ZTDAWYGIVNETJY-ZFWWWQNUSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@@H]1C ZINC000994251572 624130302 /nfs/dbraw/zinc/13/03/02/624130302.db2.gz NAHVRPLKYGGWMB-QAETUUGQSA-N 1 1 292.467 3.358 20 30 CGEDMO CC(=NN1CC[NH+](C)CC1)c1ccc(-c2ccccc2)cc1 ZINC000916581723 624184737 /nfs/dbraw/zinc/18/47/37/624184737.db2.gz NQEXJVZFMTZJKZ-UHFFFAOYSA-N 1 1 293.414 3.325 20 30 CGEDMO C[C@H](CNc1snc(Cl)c1C#N)[N@H+]1CCCC[C@@H]1C ZINC000917065053 624232498 /nfs/dbraw/zinc/23/24/98/624232498.db2.gz RAJLKGBZVZZGCL-VHSXEESVSA-N 1 1 298.843 3.343 20 30 CGEDMO C=C(Cl)CN[C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000925438616 624268863 /nfs/dbraw/zinc/26/88/63/624268863.db2.gz ZAQRXDJKBIHBKY-LBPRGKRZSA-N 1 1 252.789 3.151 20 30 CGEDMO CCCCCCC[C@H](C)CNC(=O)N1CC[NH+](CC)CC1 ZINC000918135783 624337073 /nfs/dbraw/zinc/33/70/73/624337073.db2.gz KZXMQBVFBAUVPM-INIZCTEOSA-N 1 1 297.487 3.330 20 30 CGEDMO Cc1[nH+]c(C=NNCc2ccccc2Cl)c2ccccn12 ZINC000918152218 624337789 /nfs/dbraw/zinc/33/77/89/624337789.db2.gz ABMNUTAZDDBZJN-UHFFFAOYSA-N 1 1 298.777 3.420 20 30 CGEDMO Cc1nccn1CCC[N@H+](C)Cc1c(C)cc(C#N)cc1C ZINC000930061124 624392133 /nfs/dbraw/zinc/39/21/33/624392133.db2.gz QNQZSDLQTSORBL-UHFFFAOYSA-N 1 1 296.418 3.202 20 30 CGEDMO C[N@H+]1CC[C@H](CSc2cccc(C#N)c2Cl)C1 ZINC000920282331 624466727 /nfs/dbraw/zinc/46/67/27/624466727.db2.gz NFYCJQNUPPFKSR-JTQLQIEISA-N 1 1 266.797 3.255 20 30 CGEDMO COc1cc(CO[NH+]=C(N)C2CCCC2)ccc1SC ZINC000068774928 624756733 /nfs/dbraw/zinc/75/67/33/624756733.db2.gz YSIWFTUWXKTGMC-UHFFFAOYSA-N 1 1 294.420 3.396 20 30 CGEDMO C=C(C)C[N@H+](C)Cn1ccc(-c2ccc(F)cc2)n1 ZINC000182618595 625020654 /nfs/dbraw/zinc/02/06/54/625020654.db2.gz BYDMUICBWPZOBT-UHFFFAOYSA-N 1 1 259.328 3.155 20 30 CGEDMO C=C(C)C[N@@H+](C)Cn1ccc(-c2ccc(F)cc2)n1 ZINC000182618595 625020655 /nfs/dbraw/zinc/02/06/55/625020655.db2.gz BYDMUICBWPZOBT-UHFFFAOYSA-N 1 1 259.328 3.155 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)CCc2ccncc2)cc1 ZINC000183759381 625126412 /nfs/dbraw/zinc/12/64/12/625126412.db2.gz IUQQDOFBHOQSBQ-HNNXBMFYSA-N 1 1 295.386 3.047 20 30 CGEDMO CCCCC(N)=[NH+]OCc1sc(C)nc1C(F)(F)F ZINC000184198146 625210962 /nfs/dbraw/zinc/21/09/62/625210962.db2.gz DVNYNQYDWZTRBU-UHFFFAOYSA-N 1 1 295.330 3.449 20 30 CGEDMO C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC2(C)C)CC1 ZINC000997543251 625730453 /nfs/dbraw/zinc/73/04/53/625730453.db2.gz UKIFRIPTCQGPIF-GXTWGEPZSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](N(CC)C(=O)C2CCCC2)CC1 ZINC000997901049 625764955 /nfs/dbraw/zinc/76/49/55/625764955.db2.gz QMUSEHIUCHWUPO-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)c2ccoc2C)CC1 ZINC000997922288 625772565 /nfs/dbraw/zinc/77/25/65/625772565.db2.gz RHINDLUHYMLYPG-HNNXBMFYSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[C@@H]2C)CC1 ZINC000998105628 625789711 /nfs/dbraw/zinc/78/97/11/625789711.db2.gz ZPYLROUXNNFZLH-QEJZJMRPSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC23CC3)CC1 ZINC000998144357 625791988 /nfs/dbraw/zinc/79/19/88/625791988.db2.gz RFUOQKDABJPBFC-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)c2ccsc2C)CC1 ZINC001002767452 625952373 /nfs/dbraw/zinc/95/23/73/625952373.db2.gz BBMZUJCIRZQICN-UHFFFAOYSA-N 1 1 298.839 3.003 20 30 CGEDMO Cc1nc2c(o1)CCC[C@@H]2[NH2+]Cc1ccc(OCC#N)cc1 ZINC000925367199 626085431 /nfs/dbraw/zinc/08/54/31/626085431.db2.gz JFWVPQTULUMCGJ-HNNXBMFYSA-N 1 1 297.358 3.053 20 30 CGEDMO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000752089628 626418827 /nfs/dbraw/zinc/41/88/27/626418827.db2.gz WVZNTYXTYZGGGM-NWDGAFQWSA-N 1 1 278.783 3.473 20 30 CGEDMO C=C(Br)C[N@@H+](Cc1ccccc1)[C@@H](CC)CO ZINC000753914255 626468472 /nfs/dbraw/zinc/46/84/72/626468472.db2.gz AXZYAJJNYODBLY-AWEZNQCLSA-N 1 1 298.224 3.168 20 30 CGEDMO C=C(Br)C[N@H+](CCO)C1CCC(CC)CC1 ZINC000753815969 626467011 /nfs/dbraw/zinc/46/70/11/626467011.db2.gz RGOWUVHQSUUSOZ-UHFFFAOYSA-N 1 1 290.245 3.158 20 30 CGEDMO C=C(Br)C[N@H+](Cc1ccccc1)[C@@H](CC)CO ZINC000753914255 626468471 /nfs/dbraw/zinc/46/84/71/626468471.db2.gz AXZYAJJNYODBLY-AWEZNQCLSA-N 1 1 298.224 3.168 20 30 CGEDMO CCCCCCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000754215427 626564097 /nfs/dbraw/zinc/56/40/97/626564097.db2.gz XEFSTHGETRPCLV-UHFFFAOYSA-N 1 1 277.368 3.318 20 30 CGEDMO COc1cccc2cc([C@@H](C)[NH2+]CC3(C#N)CC3)oc21 ZINC000754597011 626578042 /nfs/dbraw/zinc/57/80/42/626578042.db2.gz LHGUUWMCPMFBIW-LLVKDONJSA-N 1 1 270.332 3.396 20 30 CGEDMO C=CCCCCCCNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000805070545 626586649 /nfs/dbraw/zinc/58/66/49/626586649.db2.gz KUVBKMKMXQQQEW-HZPDHXFCSA-N 1 1 293.455 3.049 20 30 CGEDMO C#CC[N@H+](Cc1cc(F)ccc1OC)C1CCCC1 ZINC000756911515 626740779 /nfs/dbraw/zinc/74/07/79/626740779.db2.gz MCPLEWDVRVPSJV-UHFFFAOYSA-N 1 1 261.340 3.212 20 30 CGEDMO C=C(Cl)C[N@H+](C[C@@H](C)c1ccccc1)[C@@H](C)CO ZINC000839604827 626765357 /nfs/dbraw/zinc/76/53/57/626765357.db2.gz PNCVODQJVUHZHM-OCCSQVGLSA-N 1 1 267.800 3.225 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)Cc2ccccn2)cc1 ZINC000757890603 626812780 /nfs/dbraw/zinc/81/27/80/626812780.db2.gz RYPJFZLSHCGPMT-AWEZNQCLSA-N 1 1 281.359 3.004 20 30 CGEDMO CCN(CC)c1ccc(C[NH2+]CC(C)(C)C#N)cc1F ZINC000757904883 626813053 /nfs/dbraw/zinc/81/30/53/626813053.db2.gz OUJGBNRQYHPOHD-UHFFFAOYSA-N 1 1 277.387 3.311 20 30 CGEDMO C[N@H+]1CCCC(N=Nc2nc3ccccc3s2)CC1 ZINC000758088926 626826361 /nfs/dbraw/zinc/82/63/61/626826361.db2.gz HAKAIDLTUALFOK-UHFFFAOYSA-N 1 1 274.393 3.180 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2CCCCC2=NNC2CC2)C1 ZINC000758134404 626830020 /nfs/dbraw/zinc/83/00/20/626830020.db2.gz YYYOZEQWKGHCRJ-DVOMOZLQSA-N 1 1 263.429 3.015 20 30 CGEDMO FC(F)CO[NH+]=Cc1ccccc1N1CCCCC1 ZINC000758898919 626864526 /nfs/dbraw/zinc/86/45/26/626864526.db2.gz ALCAPJOKESOJRN-UHFFFAOYSA-N 1 1 268.307 3.293 20 30 CGEDMO C#CCCCC(=O)O[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000759632112 626910660 /nfs/dbraw/zinc/91/06/60/626910660.db2.gz RBOXBYCFPHAHCZ-AEFFLSMTSA-N 1 1 299.414 3.244 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000760934183 627003699 /nfs/dbraw/zinc/00/36/99/627003699.db2.gz VDSXLKJITVFCNH-GOSISDBHSA-N 1 1 290.451 3.290 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OC)c(OCCC)c1)C1CC1 ZINC000764683464 627218294 /nfs/dbraw/zinc/21/82/94/627218294.db2.gz QGHCNVHSQQNUTL-UHFFFAOYSA-N 1 1 273.376 3.082 20 30 CGEDMO C#CCCCNc1nc(NCCCC#C)c(C2CC2)c[nH+]1 ZINC000765615820 627263102 /nfs/dbraw/zinc/26/31/02/627263102.db2.gz MOHSLFOWHVFYOO-UHFFFAOYSA-N 1 1 282.391 3.005 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cn1c2ccccc2nc1SCC=C ZINC000766666387 627351490 /nfs/dbraw/zinc/35/14/90/627351490.db2.gz RSXHERIKDRLQPA-CYBMUJFWSA-N 1 1 285.416 3.225 20 30 CGEDMO C#CCCC[N@@H+]1CCSC[C@H]1c1ccc(C)cc1 ZINC000766906325 627369504 /nfs/dbraw/zinc/36/95/04/627369504.db2.gz QEDJGIFINKZSTG-INIZCTEOSA-N 1 1 259.418 3.498 20 30 CGEDMO CO[NH+]=C(C)c1ccc(N2CCCCC2)c(F)c1 ZINC000767491578 627411387 /nfs/dbraw/zinc/41/13/87/627411387.db2.gz NVWYBXKYBLOVPT-UHFFFAOYSA-N 1 1 250.317 3.186 20 30 CGEDMO C=CCCCCC[N@H+](C)Cn1ccc(Br)n1 ZINC000767973450 627447359 /nfs/dbraw/zinc/44/73/59/627447359.db2.gz ZZNFLKVDCXUERD-UHFFFAOYSA-N 1 1 286.217 3.281 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CCS[C@@H](C)[C@H]2C)cc1 ZINC000769446328 627552852 /nfs/dbraw/zinc/55/28/52/627552852.db2.gz NIKLGRPXPAQVRW-CABCVRRESA-N 1 1 289.444 3.415 20 30 CGEDMO C#CCOc1ccccc1C[N@H+](C)[C@@H](C)CCSC ZINC000769464262 627555764 /nfs/dbraw/zinc/55/57/64/627555764.db2.gz YFAVGXMVVPVKEN-AWEZNQCLSA-N 1 1 277.433 3.272 20 30 CGEDMO C[C@H]1C[C@H](C)[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000769471936 627557250 /nfs/dbraw/zinc/55/72/50/627557250.db2.gz ZEJGKEZNELUKKV-GJZGRUSLSA-N 1 1 271.408 3.267 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000769482365 627559061 /nfs/dbraw/zinc/55/90/61/627559061.db2.gz DFEWVEGMHFIWSF-UHFFFAOYSA-N 1 1 295.304 3.393 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000769482365 627559063 /nfs/dbraw/zinc/55/90/63/627559063.db2.gz DFEWVEGMHFIWSF-UHFFFAOYSA-N 1 1 295.304 3.393 20 30 CGEDMO CC(=[NH+]O[C@H]1CCCCO1)c1ccccc1N(C)C ZINC000769586439 627567844 /nfs/dbraw/zinc/56/78/44/627567844.db2.gz UMKUTLLSTWOBEI-HNNXBMFYSA-N 1 1 262.353 3.020 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(Br)cc1F ZINC000769961993 627592988 /nfs/dbraw/zinc/59/29/88/627592988.db2.gz UWTQGLWHMADTGT-SECBINFHSA-N 1 1 270.145 3.042 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(Br)cc1F ZINC000769961993 627592992 /nfs/dbraw/zinc/59/29/92/627592992.db2.gz UWTQGLWHMADTGT-SECBINFHSA-N 1 1 270.145 3.042 20 30 CGEDMO C=C[C@H](CC(=O)OCCn1cc[nH+]c1C)c1ccccc1 ZINC000772031929 627756935 /nfs/dbraw/zinc/75/69/35/627756935.db2.gz ZTIPCTALTVDJEG-OAHLLOKOSA-N 1 1 284.359 3.095 20 30 CGEDMO Cc1cc([C@H](C)[NH2+]Cc2ccc(C#N)cn2)c(C)o1 ZINC000774369079 627982554 /nfs/dbraw/zinc/98/25/54/627982554.db2.gz KAVMBTVTZZBFRS-NSHDSACASA-N 1 1 255.321 3.014 20 30 CGEDMO c1ccc2c(c1)NCCCC2=[NH+]O[C@@H]1CCCCO1 ZINC000774395018 627984730 /nfs/dbraw/zinc/98/47/30/627984730.db2.gz PUFLOWZVESNKNC-OAHLLOKOSA-N 1 1 260.337 3.140 20 30 CGEDMO c1ccc2c(c1)NCCCC2=[NH+]O[C@H]1CCCCO1 ZINC000774395017 627985095 /nfs/dbraw/zinc/98/50/95/627985095.db2.gz PUFLOWZVESNKNC-HNNXBMFYSA-N 1 1 260.337 3.140 20 30 CGEDMO C#CC[N@H+](CC)Cc1cc(C)cc(Br)c1 ZINC000774856059 628040771 /nfs/dbraw/zinc/04/07/71/628040771.db2.gz DMZSFHVTSKDVES-UHFFFAOYSA-N 1 1 266.182 3.213 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1cn(-c2ccc(Cl)cc2)nc1C ZINC000775183552 628071190 /nfs/dbraw/zinc/07/11/90/628071190.db2.gz OMBUQLKXWQNZBX-LBPRGKRZSA-N 1 1 287.794 3.288 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1cn(-c2ccc(Cl)cc2)nc1C ZINC000775183552 628071193 /nfs/dbraw/zinc/07/11/93/628071193.db2.gz OMBUQLKXWQNZBX-LBPRGKRZSA-N 1 1 287.794 3.288 20 30 CGEDMO C#C[C@H]([NH2+]Cc1ccc(-c2ccc(F)cc2)o1)[C@H]1CCCO1 ZINC000775339216 628084021 /nfs/dbraw/zinc/08/40/21/628084021.db2.gz ATUNMAJUKWSTQB-FUHWJXTLSA-N 1 1 299.345 3.356 20 30 CGEDMO C#C[C@H]([NH2+][C@H](CC)c1ccc(F)cc1F)[C@H]1CCCO1 ZINC000775571196 628108177 /nfs/dbraw/zinc/10/81/77/628108177.db2.gz CEXWSUYXDFZYEN-OWCLPIDISA-N 1 1 279.330 3.186 20 30 CGEDMO C#C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1Cl)[C@H]1CCCO1 ZINC000775574830 628109723 /nfs/dbraw/zinc/10/97/23/628109723.db2.gz SDBDDPKQMYDNBH-NZVBXONLSA-N 1 1 281.758 3.311 20 30 CGEDMO C#CC[N@@H+](Cc1cccc(Br)c1OC)C1CC1 ZINC000775980820 628155170 /nfs/dbraw/zinc/15/51/70/628155170.db2.gz VOBZOADQFKVAIV-UHFFFAOYSA-N 1 1 294.192 3.055 20 30 CGEDMO C#CC[N@H+](Cc1cccc(Br)c1OC)C1CC1 ZINC000775980820 628155171 /nfs/dbraw/zinc/15/51/71/628155171.db2.gz VOBZOADQFKVAIV-UHFFFAOYSA-N 1 1 294.192 3.055 20 30 CGEDMO C[C@@H](C(=O)O[C@H](C#N)C1CCCCC1)[NH+]1CCCCCC1 ZINC000776388204 628203110 /nfs/dbraw/zinc/20/31/10/628203110.db2.gz XRYZJRMBDKLYJX-GOEBONIOSA-N 1 1 292.423 3.267 20 30 CGEDMO Cc1cc2c(cc1C)C(=NNc1cc[nH+]cc1)CCS2 ZINC000777446225 628271589 /nfs/dbraw/zinc/27/15/89/628271589.db2.gz FUHNETFOLRCLEA-UHFFFAOYSA-N 1 1 283.400 3.432 20 30 CGEDMO FC(F)(F)CCON=C1CC[N@H+](Cc2ccccc2)C1 ZINC000777463456 628274170 /nfs/dbraw/zinc/27/41/70/628274170.db2.gz COJQCFIFIWCFFA-UHFFFAOYSA-N 1 1 286.297 3.217 20 30 CGEDMO FC(F)(F)CCON=C1CC[N@@H+](Cc2ccccc2)C1 ZINC000777463456 628274172 /nfs/dbraw/zinc/27/41/72/628274172.db2.gz COJQCFIFIWCFFA-UHFFFAOYSA-N 1 1 286.297 3.217 20 30 CGEDMO C=CCC[C@@H]([NH2+]Cc1nc(-c2ccccc2)n[nH]1)C1CC1 ZINC000777574911 628285066 /nfs/dbraw/zinc/28/50/66/628285066.db2.gz OCAUDKAZIJBWSE-OAHLLOKOSA-N 1 1 282.391 3.306 20 30 CGEDMO C=CCc1ccccc1OC(=O)[C@@H](CC)[NH+](CC)CC ZINC000778602488 628360170 /nfs/dbraw/zinc/36/01/70/628360170.db2.gz YMUBVKFFGARGEH-OAHLLOKOSA-N 1 1 275.392 3.441 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000779188709 628393404 /nfs/dbraw/zinc/39/34/04/628393404.db2.gz YMKUCKREKPQYKO-UHFFFAOYSA-N 1 1 289.379 3.203 20 30 CGEDMO CCCCc1oc2ccccc2c1C=NNC1=[NH+]C[C@H](C)N1 ZINC000779805582 628432881 /nfs/dbraw/zinc/43/28/81/628432881.db2.gz PRABPKJLMWTRTC-LBPRGKRZSA-N 1 1 298.390 3.047 20 30 CGEDMO Cc1cc(C=NNc2cc[nH+]cc2)c(C)n1Cc1ccco1 ZINC000779808834 628433558 /nfs/dbraw/zinc/43/35/58/628433558.db2.gz BBVWKEADZLRPAC-UHFFFAOYSA-N 1 1 294.358 3.009 20 30 CGEDMO CC(=NNc1cc[nH+]cc1)c1ccc(Cl)c(F)c1 ZINC000779810110 628433956 /nfs/dbraw/zinc/43/39/56/628433956.db2.gz VOPPUYVVUSLUJK-UHFFFAOYSA-N 1 1 263.703 3.132 20 30 CGEDMO C#CCCCCCC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000780676892 628509105 /nfs/dbraw/zinc/50/91/05/628509105.db2.gz AAQZAWNUYIGEPY-HKUYNNGSSA-N 1 1 298.430 3.132 20 30 CGEDMO CCCCCCCCNC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000781384664 628557648 /nfs/dbraw/zinc/55/76/48/628557648.db2.gz TXUVSRXRCZSNPJ-OAHLLOKOSA-N 1 1 295.471 3.297 20 30 CGEDMO CCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(C#N)cn2)s1 ZINC000783295099 628699987 /nfs/dbraw/zinc/69/99/87/628699987.db2.gz ZHLWWCFRUKKBEJ-SNVBAGLBSA-N 1 1 286.404 3.131 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000805747249 628723126 /nfs/dbraw/zinc/72/31/26/628723126.db2.gz AKJHTPZRASBTKS-SFHVURJKSA-N 1 1 293.370 3.321 20 30 CGEDMO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(CC#N)cc2)no1 ZINC000784126185 628782424 /nfs/dbraw/zinc/78/24/24/628782424.db2.gz VCKYHAMADXJANB-KRWDZBQOSA-N 1 1 281.359 3.386 20 30 CGEDMO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(CC#N)cc2)no1 ZINC000784126185 628782426 /nfs/dbraw/zinc/78/24/26/628782426.db2.gz VCKYHAMADXJANB-KRWDZBQOSA-N 1 1 281.359 3.386 20 30 CGEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+](C)C[C@@H]1CC=CCC1 ZINC000784393380 628812519 /nfs/dbraw/zinc/81/25/19/628812519.db2.gz QEMJMLLJAJRZHS-WBVHZDCISA-N 1 1 298.386 3.060 20 30 CGEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000784393380 628812521 /nfs/dbraw/zinc/81/25/21/628812521.db2.gz QEMJMLLJAJRZHS-WBVHZDCISA-N 1 1 298.386 3.060 20 30 CGEDMO C#CCC[N@H+](C)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000805791407 628902278 /nfs/dbraw/zinc/90/22/78/628902278.db2.gz MDWUYKSALHVTHB-HOTGVXAUSA-N 1 1 257.377 3.188 20 30 CGEDMO C#CCCC[N@H+](CCC)[C@H](C)C(=O)Nc1ccccc1C ZINC000786129487 628915813 /nfs/dbraw/zinc/91/58/13/628915813.db2.gz RXFNMNKPLICPIN-MRXNPFEDSA-N 1 1 286.419 3.447 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc(Br)ccc1O ZINC000786579999 628949862 /nfs/dbraw/zinc/94/98/62/628949862.db2.gz WNUPPUNZPJIWPN-UHFFFAOYSA-N 1 1 270.170 3.163 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cccc(OCC)c1O ZINC000787311306 629008236 /nfs/dbraw/zinc/00/82/36/629008236.db2.gz VEMBPZKCDAGLOK-AWEZNQCLSA-N 1 1 261.365 3.331 20 30 CGEDMO CC[C@H](c1ccccc1OC)[N@@H+](C)CCO[C@@H](C)C#N ZINC000805836585 629012244 /nfs/dbraw/zinc/01/22/44/629012244.db2.gz SXXFDPMIQOQXNZ-DZGCQCFKSA-N 1 1 276.380 3.007 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2c(O)ccc(Cl)c2F)cc1 ZINC000790949300 629242630 /nfs/dbraw/zinc/24/26/30/629242630.db2.gz LOEYSSFRLWCHJV-UHFFFAOYSA-N 1 1 290.725 3.346 20 30 CGEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2[C@H](C)C[C@H]2C)cc1 ZINC000791575269 629290677 /nfs/dbraw/zinc/29/06/77/629290677.db2.gz CCLURAKDCDCWOP-OAGGEKHMSA-N 1 1 299.418 3.113 20 30 CGEDMO CCCCCCCNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000875764889 634729939 /nfs/dbraw/zinc/72/99/39/634729939.db2.gz UVJJKYPVRUSHSW-HOTGVXAUSA-N 1 1 295.471 3.083 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(OCC2CC2)cc1)C1CC1 ZINC000792175562 629345165 /nfs/dbraw/zinc/34/51/65/629345165.db2.gz WFGDJDDLINPCNY-UHFFFAOYSA-N 1 1 255.361 3.073 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000862444699 629377648 /nfs/dbraw/zinc/37/76/48/629377648.db2.gz FPWYHLVXJWZMRT-SNVBAGLBSA-N 1 1 267.731 3.030 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000862444699 629377654 /nfs/dbraw/zinc/37/76/54/629377654.db2.gz FPWYHLVXJWZMRT-SNVBAGLBSA-N 1 1 267.731 3.030 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(F)ccc2Br)C1 ZINC000862444920 629377897 /nfs/dbraw/zinc/37/78/97/629377897.db2.gz IXXYVYPGUJABGF-LLVKDONJSA-N 1 1 296.183 3.433 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cn(-c3cccc(F)c3)nc2C)C1 ZINC000862447097 629380176 /nfs/dbraw/zinc/38/01/76/629380176.db2.gz IVHHASUHWNMPKN-OAHLLOKOSA-N 1 1 297.377 3.165 20 30 CGEDMO CCCCCCCNC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000875765764 634731537 /nfs/dbraw/zinc/73/15/37/634731537.db2.gz YTOFUYOSVHAQKR-HZPDHXFCSA-N 1 1 297.487 3.471 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1ccnn1-c1ccccc1C ZINC000793048356 629405416 /nfs/dbraw/zinc/40/54/16/629405416.db2.gz KKNDNOAXGLTJHH-UHFFFAOYSA-N 1 1 261.756 3.023 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)cc1 ZINC000793230255 629432499 /nfs/dbraw/zinc/43/24/99/629432499.db2.gz FNWRAJWFOKJAQV-WFASDCNBSA-N 1 1 297.320 3.471 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000793229337 629432524 /nfs/dbraw/zinc/43/25/24/629432524.db2.gz XPBNPGUFBXSYTP-JSGCOSHPSA-N 1 1 297.320 3.471 20 30 CGEDMO c1cnn(N=C2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]23)c1 ZINC000863163760 629486461 /nfs/dbraw/zinc/48/64/61/629486461.db2.gz OOLRGKYMFAJBAL-AEFFLSMTSA-N 1 1 294.402 3.162 20 30 CGEDMO CC(=[NH+]NCCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000794545633 629553822 /nfs/dbraw/zinc/55/38/22/629553822.db2.gz NCDCGOBUDMVJLJ-UHFFFAOYSA-N 1 1 273.302 3.019 20 30 CGEDMO CCN(C)c1ccc(C(C)=[NH+]NCCC(F)(F)F)cc1 ZINC000794553727 629555769 /nfs/dbraw/zinc/55/57/69/629555769.db2.gz XOIVPQTYBNYXAB-UHFFFAOYSA-N 1 1 287.329 3.409 20 30 CGEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccon1 ZINC000795797699 629716695 /nfs/dbraw/zinc/71/66/95/629716695.db2.gz GNKXEWANRNJXEM-INIZCTEOSA-N 1 1 267.332 3.104 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)CC[C@@H](O)c1ccccc1 ZINC000795988085 629732492 /nfs/dbraw/zinc/73/24/92/629732492.db2.gz XSQGUGRPESRQHO-GOSISDBHSA-N 1 1 285.387 3.434 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000796284895 629760818 /nfs/dbraw/zinc/76/08/18/629760818.db2.gz UGVSRPMNHWMDMH-VDHUWJSZSA-N 1 1 284.403 3.183 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)OCCO2 ZINC000796640992 629809248 /nfs/dbraw/zinc/80/92/48/629809248.db2.gz TZBPDKRDWAPPTQ-UHFFFAOYSA-N 1 1 293.366 3.093 20 30 CGEDMO C#CC[N@@H+](CC#Cc1ccc(F)cc1)Cc1ccccc1 ZINC000796641244 629809350 /nfs/dbraw/zinc/80/93/50/629809350.db2.gz NQEVWSSPFUAFIA-UHFFFAOYSA-N 1 1 277.342 3.313 20 30 CGEDMO C#CC[N@H+](CC#Cc1ccc(F)cc1)Cc1ccccc1 ZINC000796641244 629809352 /nfs/dbraw/zinc/80/93/52/629809352.db2.gz NQEVWSSPFUAFIA-UHFFFAOYSA-N 1 1 277.342 3.313 20 30 CGEDMO Oc1ccccc1/C=N/C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000864344808 629814106 /nfs/dbraw/zinc/81/41/06/629814106.db2.gz HKZGINMKQKUDFL-IQFISFIMSA-N 1 1 272.392 3.218 20 30 CGEDMO CC[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(F)cc1O ZINC000796951166 629864346 /nfs/dbraw/zinc/86/43/46/629864346.db2.gz VQKNXLSWMGMFJS-HNNXBMFYSA-N 1 1 285.322 3.039 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CC(C)=C[C@H](C)C2)cc1 ZINC000797605010 629970396 /nfs/dbraw/zinc/97/03/96/629970396.db2.gz LFMXPJWKGZFWRS-AWEZNQCLSA-N 1 1 255.361 3.097 20 30 CGEDMO C#CCC[C@H](O)CNc1cc(C)c2ccc(C)cc2[nH+]1 ZINC000798421974 630055363 /nfs/dbraw/zinc/05/53/63/630055363.db2.gz YKDYMNHSDQLEQG-AWEZNQCLSA-N 1 1 268.360 3.038 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccccc1Cl ZINC000800381769 630269064 /nfs/dbraw/zinc/26/90/64/630269064.db2.gz ISACNAUCIMOHSV-WFASDCNBSA-N 1 1 265.784 3.414 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000801909146 630363889 /nfs/dbraw/zinc/36/38/89/630363889.db2.gz HFJGOEZTSVKFIT-STQMWFEESA-N 1 1 272.348 3.354 20 30 CGEDMO CCC[N@@H+](CCO[C@@H](C)C#N)[C@@H]1CCc2ccccc2C1 ZINC000801914815 630365451 /nfs/dbraw/zinc/36/54/51/630365451.db2.gz FNTMOAQNVHPYFZ-MAUKXSAKSA-N 1 1 286.419 3.185 20 30 CGEDMO CCCC[N@@H+](CCO[C@@H](C)C#N)Cc1ccccc1F ZINC000801916388 630365774 /nfs/dbraw/zinc/36/57/74/630365774.db2.gz WYMLATWRJYAQKC-AWEZNQCLSA-N 1 1 278.371 3.356 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000801929379 630368466 /nfs/dbraw/zinc/36/84/66/630368466.db2.gz LSDZGQBJEAGXBP-AEFFLSMTSA-N 1 1 286.419 3.402 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000801939804 630371366 /nfs/dbraw/zinc/37/13/66/630371366.db2.gz HQOATYKJXWGDDC-ZDUSSCGKSA-N 1 1 290.794 3.358 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000801939804 630371369 /nfs/dbraw/zinc/37/13/69/630371369.db2.gz HQOATYKJXWGDDC-ZDUSSCGKSA-N 1 1 290.794 3.358 20 30 CGEDMO C=CCN1CCN(C[N@@H+]2CCC[C@@H]2c2ccccc2C)C1=O ZINC000839970520 630399566 /nfs/dbraw/zinc/39/95/66/630399566.db2.gz UCGAQYJQWWCIIH-QGZVFWFLSA-N 1 1 299.418 3.013 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCO[C@@](C)(c3ccccc3)C2)cc1 ZINC000809574642 630752519 /nfs/dbraw/zinc/75/25/19/630752519.db2.gz NPEQUBILSJDEKQ-HXUWFJFHSA-N 1 1 291.394 3.416 20 30 CGEDMO C#Cc1ccc(C[N@H+](CCOC)[C@H]2CC[C@@H](C)C2)cc1 ZINC000809653304 630775795 /nfs/dbraw/zinc/77/57/95/630775795.db2.gz XRGRBQUCBGAMKK-QAPCUYQASA-N 1 1 271.404 3.305 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCSC(C)(C)CC2)cc1 ZINC000809656515 630775854 /nfs/dbraw/zinc/77/58/54/630775854.db2.gz XMZMVYGDNISTRF-UHFFFAOYSA-N 1 1 259.418 3.385 20 30 CGEDMO C#C[C@H](NC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)C(C)C ZINC000809685884 630782030 /nfs/dbraw/zinc/78/20/30/630782030.db2.gz XULDKAJVUIIGNM-NXHRZFHOSA-N 1 1 276.468 3.277 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)cc1 ZINC000809693221 630784088 /nfs/dbraw/zinc/78/40/88/630784088.db2.gz QNJRFPPLVYEGHB-SFHVURJKSA-N 1 1 295.386 3.149 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)cc1 ZINC000809693221 630784093 /nfs/dbraw/zinc/78/40/93/630784093.db2.gz QNJRFPPLVYEGHB-SFHVURJKSA-N 1 1 295.386 3.149 20 30 CGEDMO C#Cc1ccc(C[N@@H+](CC(=C)C)Cc2ccc(CO)o2)cc1 ZINC000809701749 630786038 /nfs/dbraw/zinc/78/60/38/630786038.db2.gz JXEJKEMESMHGIK-UHFFFAOYSA-N 1 1 295.382 3.332 20 30 CGEDMO CC(C)c1ccccc1C[NH2+]Cc1nc(C#N)cs1 ZINC000810154324 630847687 /nfs/dbraw/zinc/84/76/87/630847687.db2.gz NFCDHFKLISIJBT-UHFFFAOYSA-N 1 1 271.389 3.428 20 30 CGEDMO CC(=[NH+]OC/C=C/Cl)c1ccc(N2CCOCC2)cc1 ZINC000811670495 631108436 /nfs/dbraw/zinc/10/84/36/631108436.db2.gz UCLWJZSQUOAUEW-XQLIBSMOSA-N 1 1 294.782 3.016 20 30 CGEDMO C[C@@H]1C[C@H](Nc2nc3ccccc3cc2C#N)C[N@H+]1C1CC1 ZINC000811811756 631122562 /nfs/dbraw/zinc/12/25/62/631122562.db2.gz GNQNMZWZYMCWHA-DOMZBBRYSA-N 1 1 292.386 3.144 20 30 CGEDMO C=CC[C@@H](C)[N@@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC000878709811 635612195 /nfs/dbraw/zinc/61/21/95/635612195.db2.gz UNFQXCKASSKCMT-RISCZKNCSA-N 1 1 298.224 3.379 20 30 CGEDMO CC(=[NH+]OCCOC(C)C)c1ccc(N)cc1Cl ZINC000812239413 631229832 /nfs/dbraw/zinc/22/98/32/631229832.db2.gz SYPMZVMZNUAJEJ-UHFFFAOYSA-N 1 1 270.760 3.088 20 30 CGEDMO CC[N@@H+](CC#Cc1ccccc1)[C@H](C)[C@H](O)c1ccccc1 ZINC000812847903 631324759 /nfs/dbraw/zinc/32/47/59/631324759.db2.gz HHFSRCXDPQUFJK-XLIONFOSSA-N 1 1 293.410 3.482 20 30 CGEDMO CC[N@@H+](CCCCC#N)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812850455 631325193 /nfs/dbraw/zinc/32/51/93/631325193.db2.gz SRUQOBVPLTYSEV-HOCLYGCPSA-N 1 1 260.381 3.124 20 30 CGEDMO CC(N=Nc1ccnc(F)c1)c1ccc(C[NH+](C)C)cc1 ZINC000814902906 631672457 /nfs/dbraw/zinc/67/24/57/631672457.db2.gz YSQFBDZHNUIZKA-UHFFFAOYSA-N 1 1 286.354 3.118 20 30 CGEDMO C#CC[N@@H+](C)CCCNc1nc(-c2ccccc2)cs1 ZINC000814929970 631686497 /nfs/dbraw/zinc/68/64/97/631686497.db2.gz XLMPXBIKBNGZCW-UHFFFAOYSA-N 1 1 285.416 3.177 20 30 CGEDMO Cc1cc(C[N@@H+](C[C@H](C)C#N)C2CC2)ccc1N(C)C ZINC000815076114 631711260 /nfs/dbraw/zinc/71/12/60/631711260.db2.gz LGMPHEVHZRHTGQ-CYBMUJFWSA-N 1 1 271.408 3.185 20 30 CGEDMO Cc1cc(C[N@H+](C[C@H](C)C#N)C2CC2)ccc1N(C)C ZINC000815076114 631711264 /nfs/dbraw/zinc/71/12/64/631711264.db2.gz LGMPHEVHZRHTGQ-CYBMUJFWSA-N 1 1 271.408 3.185 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)[C@H]2C=CCCCCC2)n1 ZINC000815103916 631717525 /nfs/dbraw/zinc/71/75/25/631717525.db2.gz VHFKUYHOIYKHQK-KRWDZBQOSA-N 1 1 271.408 3.227 20 30 CGEDMO C#CCCC[N@@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000815207933 631740918 /nfs/dbraw/zinc/74/09/18/631740918.db2.gz RLLRDAZAALCIEE-HNNXBMFYSA-N 1 1 263.768 3.207 20 30 CGEDMO C#CCCC[N@H+]1CCc2cc(OC)c(Cl)cc2C1 ZINC000815259169 631752414 /nfs/dbraw/zinc/75/24/14/631752414.db2.gz OPQKCBZHWQMZON-UHFFFAOYSA-N 1 1 263.768 3.120 20 30 CGEDMO CC#CC[N@H+](C)Cc1cc2ccccc2c(Cl)n1 ZINC000815280427 631753472 /nfs/dbraw/zinc/75/34/72/631753472.db2.gz JNSPNPREHIIWMJ-UHFFFAOYSA-N 1 1 258.752 3.343 20 30 CGEDMO CC#CC[N@@H+](C)Cc1cc2ccccc2c(Cl)n1 ZINC000815280427 631753478 /nfs/dbraw/zinc/75/34/78/631753478.db2.gz JNSPNPREHIIWMJ-UHFFFAOYSA-N 1 1 258.752 3.343 20 30 CGEDMO C=C(C)CCOC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000815444037 631781201 /nfs/dbraw/zinc/78/12/01/631781201.db2.gz QICVXFQAPXYHJM-OAHLLOKOSA-N 1 1 265.397 3.293 20 30 CGEDMO C#CC[N@H+](C)CCC[NH2+][C@H](CC)c1cccc(Cl)c1[O-] ZINC000815652076 631813699 /nfs/dbraw/zinc/81/36/99/631813699.db2.gz NUWPILRQPFWWKC-OAHLLOKOSA-N 1 1 294.826 3.041 20 30 CGEDMO C#CC[N@@H+](C)CCC[NH2+][C@H](CC)c1cccc(Cl)c1[O-] ZINC000815652076 631813695 /nfs/dbraw/zinc/81/36/95/631813695.db2.gz NUWPILRQPFWWKC-OAHLLOKOSA-N 1 1 294.826 3.041 20 30 CGEDMO C#CC[N@@H+](C)CCCN[C@H](c1cc(F)ccc1F)C(C)C ZINC000815651947 631813975 /nfs/dbraw/zinc/81/39/75/631813975.db2.gz JQNABLHLAGVMAG-KRWDZBQOSA-N 1 1 294.389 3.207 20 30 CGEDMO C#CC[N@H+](C)CCCN[C@H](c1cc(F)ccc1F)C(C)C ZINC000815651947 631813980 /nfs/dbraw/zinc/81/39/80/631813980.db2.gz JQNABLHLAGVMAG-KRWDZBQOSA-N 1 1 294.389 3.207 20 30 CGEDMO C#CC[N@H+](C)CCCN[C@H](c1ccc(C)o1)C1CCCC1 ZINC000815651938 631814035 /nfs/dbraw/zinc/81/40/35/631814035.db2.gz JELNQNPTGIBPRJ-SFHVURJKSA-N 1 1 288.435 3.364 20 30 CGEDMO C#CC[N@@H+](C)CCCN[C@H](c1ccc(C)o1)C1CCCC1 ZINC000815651938 631814039 /nfs/dbraw/zinc/81/40/39/631814039.db2.gz JELNQNPTGIBPRJ-SFHVURJKSA-N 1 1 288.435 3.364 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@H+]1C[C@@H](C)[C@@H]1C ZINC000816646293 632031026 /nfs/dbraw/zinc/03/10/26/632031026.db2.gz BIESCFKRWHVILA-NEPJUHHUSA-N 1 1 263.768 3.192 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000816646293 632031029 /nfs/dbraw/zinc/03/10/29/632031029.db2.gz BIESCFKRWHVILA-NEPJUHHUSA-N 1 1 263.768 3.192 20 30 CGEDMO C[C@H]1CC(N=Nc2cc(Cl)nc(Cl)c2)C[N@H+]1C1CC1 ZINC000819832412 632528258 /nfs/dbraw/zinc/52/82/58/632528258.db2.gz RYIIDEGIRUTPLB-QMMMGPOBSA-N 1 1 299.205 3.413 20 30 CGEDMO CC(C)C(=O)CC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000823618514 633127900 /nfs/dbraw/zinc/12/79/00/633127900.db2.gz SYRURWCKCMDKNX-CYBMUJFWSA-N 1 1 258.365 3.166 20 30 CGEDMO CC(C)COc1ccccc1C[NH2+]Cc1ccc(C#N)cn1 ZINC000824231960 633214549 /nfs/dbraw/zinc/21/45/49/633214549.db2.gz SVVKQSRGBQGBAV-UHFFFAOYSA-N 1 1 295.386 3.278 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1cccc(Br)c1F ZINC000824297880 633227618 /nfs/dbraw/zinc/22/76/18/633227618.db2.gz ZQIXKMFYJCHVLK-VIFPVBQESA-N 1 1 270.145 3.042 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1cccc(Br)c1F ZINC000824297880 633227622 /nfs/dbraw/zinc/22/76/22/633227622.db2.gz ZQIXKMFYJCHVLK-VIFPVBQESA-N 1 1 270.145 3.042 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc1 ZINC000824696461 633273893 /nfs/dbraw/zinc/27/38/93/633273893.db2.gz NFMWOCUWHSTOEU-GUDVDZBRSA-N 1 1 283.415 3.183 20 30 CGEDMO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000824952911 633309716 /nfs/dbraw/zinc/30/97/16/633309716.db2.gz FTDHYUPIZTZGPZ-OCCSQVGLSA-N 1 1 285.746 3.008 20 30 CGEDMO C[C@@H](C1CC1)[N@@H+](Cc1cc(C#N)cnc1Cl)C1CC1 ZINC000876598655 634865546 /nfs/dbraw/zinc/86/55/46/634865546.db2.gz ONGXNYSVWCWLBO-JTQLQIEISA-N 1 1 275.783 3.370 20 30 CGEDMO N#CC1(c2ccc(C[N@@H+]3CCC[C@H]3c3ncc[nH]3)cc2)CC1 ZINC000825514879 633360502 /nfs/dbraw/zinc/36/05/02/633360502.db2.gz SPFCGIIZKZFOAR-INIZCTEOSA-N 1 1 292.386 3.302 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@H]3c3ncc[nH]3)cc2)CC1 ZINC000825514879 633360510 /nfs/dbraw/zinc/36/05/10/633360510.db2.gz SPFCGIIZKZFOAR-INIZCTEOSA-N 1 1 292.386 3.302 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000826862093 633438832 /nfs/dbraw/zinc/43/88/32/633438832.db2.gz UEODLZOYJOZFCB-MRXNPFEDSA-N 1 1 282.387 3.214 20 30 CGEDMO Cc1cc(C)c(COC(=O)Cc2cccc(C#N)c2)c(C)[nH+]1 ZINC000869428694 633442837 /nfs/dbraw/zinc/44/28/37/633442837.db2.gz VHMUOUNOUUMJBY-UHFFFAOYSA-N 1 1 294.354 3.164 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2cnn3ccccc23)C1 ZINC000826947063 633445088 /nfs/dbraw/zinc/44/50/88/633445088.db2.gz NAORVCZUTPHXCR-AWEZNQCLSA-N 1 1 255.365 3.122 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cc(F)ncc2F)C1 ZINC000826947738 633445934 /nfs/dbraw/zinc/44/59/34/633445934.db2.gz SXYSEAYQOAEBIM-LLVKDONJSA-N 1 1 252.308 3.148 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2cc(F)ncc2F)C1 ZINC000826947738 633445933 /nfs/dbraw/zinc/44/59/33/633445933.db2.gz SXYSEAYQOAEBIM-LLVKDONJSA-N 1 1 252.308 3.148 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000827078902 633454880 /nfs/dbraw/zinc/45/48/80/633454880.db2.gz SOGYSDYFCCLUBO-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO CC(=O)Oc1ccc(C[N@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000122772084 633508436 /nfs/dbraw/zinc/50/84/36/633508436.db2.gz YZRUXERLQJAMOC-UHFFFAOYSA-N 1 1 294.354 3.116 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CCC1)c1cc(F)c(F)c(F)c1 ZINC000828688940 633641855 /nfs/dbraw/zinc/64/18/55/633641855.db2.gz YPRUEAGREPNRIC-VIFPVBQESA-N 1 1 268.282 3.448 20 30 CGEDMO C[C@@H](C[C@@H]1CCCC[N@H+]1C)OC(=O)c1cc(C#N)cs1 ZINC000870788077 633646600 /nfs/dbraw/zinc/64/66/00/633646600.db2.gz DNUAVCJWYPHIBZ-AAEUAGOBSA-N 1 1 292.404 3.039 20 30 CGEDMO C=CCCCC[N@@H+]1CCn2c(C(C)C)nnc2[C@H]1C ZINC000829112472 633695797 /nfs/dbraw/zinc/69/57/97/633695797.db2.gz AZWBOOOYUUXPFS-CYBMUJFWSA-N 1 1 262.401 3.134 20 30 CGEDMO C=CCCCC[N@H+]1CCn2c(C(C)C)nnc2[C@H]1C ZINC000829112472 633695800 /nfs/dbraw/zinc/69/58/00/633695800.db2.gz AZWBOOOYUUXPFS-CYBMUJFWSA-N 1 1 262.401 3.134 20 30 CGEDMO C#CC[C@H]1CCC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000829775126 633780332 /nfs/dbraw/zinc/78/03/32/633780332.db2.gz XWVZFRSZQSVRKX-KBPBESRZSA-N 1 1 272.348 3.391 20 30 CGEDMO C#CC[C@H]1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000829775127 633781283 /nfs/dbraw/zinc/78/12/83/633781283.db2.gz XWVZFRSZQSVRKX-KGLIPLIRSA-N 1 1 272.348 3.391 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000829779668 633782904 /nfs/dbraw/zinc/78/29/04/633782904.db2.gz ZBUYUERITCYXLS-KRWDZBQOSA-N 1 1 282.387 3.062 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cc(C(=O)OC)sc2C)C1 ZINC000829789384 633785851 /nfs/dbraw/zinc/78/58/51/633785851.db2.gz UMDAZSTXMHENID-ZDUSSCGKSA-N 1 1 291.416 3.078 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccn(-c3ccccc3F)n2)C1 ZINC000829810642 633792242 /nfs/dbraw/zinc/79/22/42/633792242.db2.gz SMGOFVKIDLGZBZ-HNNXBMFYSA-N 1 1 297.377 3.247 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000829810545 633792907 /nfs/dbraw/zinc/79/29/07/633792907.db2.gz QZJMZILVJSXYKK-ZDUSSCGKSA-N 1 1 272.779 3.447 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000829810545 633792912 /nfs/dbraw/zinc/79/29/12/633792912.db2.gz QZJMZILVJSXYKK-ZDUSSCGKSA-N 1 1 272.779 3.447 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000829811157 633794367 /nfs/dbraw/zinc/79/43/67/633794367.db2.gz YTFFSVQPQUWKKM-HOTGVXAUSA-N 1 1 261.409 3.214 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2cccc(Br)n2)C1 ZINC000829815547 633797029 /nfs/dbraw/zinc/79/70/29/633797029.db2.gz OFBYMNSAALQLCH-LBPRGKRZSA-N 1 1 293.208 3.079 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cccc(Br)n2)C1 ZINC000829815547 633797035 /nfs/dbraw/zinc/79/70/35/633797035.db2.gz OFBYMNSAALQLCH-LBPRGKRZSA-N 1 1 293.208 3.079 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CC[C@H]([C@H]2CCCC2(C)C)C1 ZINC000830178058 633836635 /nfs/dbraw/zinc/83/66/35/633836635.db2.gz UVEQHFJNVQWLGK-QLFBSQMISA-N 1 1 264.413 3.063 20 30 CGEDMO C#CC1CC[NH+](CC(=O)Nc2c(CC)cccc2CC)CC1 ZINC000830305385 633848392 /nfs/dbraw/zinc/84/83/92/633848392.db2.gz MVGYIUUHSQEADY-UHFFFAOYSA-N 1 1 298.430 3.095 20 30 CGEDMO C#CC1CC[NH+](Cc2csc(-c3ccco3)n2)CC1 ZINC000830316080 633848552 /nfs/dbraw/zinc/84/85/52/633848552.db2.gz DBMIYTLGKJPQAK-UHFFFAOYSA-N 1 1 272.373 3.248 20 30 CGEDMO C[C@@H]([NH2+]CC1(CC#N)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872068857 633990685 /nfs/dbraw/zinc/99/06/85/633990685.db2.gz JGZPMTFKALKMEM-SNVBAGLBSA-N 1 1 277.299 3.078 20 30 CGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ccccc2OCC)no1 ZINC000872172906 634077520 /nfs/dbraw/zinc/07/75/20/634077520.db2.gz HVURYTQISLDJGS-LLVKDONJSA-N 1 1 293.754 3.278 20 30 CGEDMO C=C(Cl)C[C@H]([NH3+])c1nc([C@H](C)SCC)no1 ZINC000872174495 634077951 /nfs/dbraw/zinc/07/79/51/634077951.db2.gz DTDFCKFYONQETN-YUMQZZPRSA-N 1 1 261.778 3.026 20 30 CGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(Cc2ccc(C)s2)no1 ZINC000872182202 634080643 /nfs/dbraw/zinc/08/06/43/634080643.db2.gz ICNSMTOWSSFCQP-SNVBAGLBSA-N 1 1 283.784 3.173 20 30 CGEDMO C=C(CC)C[N@@H+](C)C[C@H](O)c1ccccc1Br ZINC000832680599 634080895 /nfs/dbraw/zinc/08/08/95/634080895.db2.gz TZNOMZGEMMALEA-AWEZNQCLSA-N 1 1 298.224 3.381 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872261905 634092171 /nfs/dbraw/zinc/09/21/71/634092171.db2.gz KBAXVVXEKVRGSX-SFHVURJKSA-N 1 1 284.403 3.482 20 30 CGEDMO C=CC[C@H]([NH2+][C@@H](C)c1nccn1CC)c1ccncc1 ZINC000834588269 634191854 /nfs/dbraw/zinc/19/18/54/634191854.db2.gz AJQLYYSKDKIXAD-ZFWWWQNUSA-N 1 1 270.380 3.266 20 30 CGEDMO CCCCCCCC[C@@H](C)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000834655355 634210212 /nfs/dbraw/zinc/21/02/12/634210212.db2.gz AJBYXTBAOWJBSY-ZACQAIPSSA-N 1 1 294.483 3.393 20 30 CGEDMO C[C@@H]1CCC[N@H+](Cc2cc(C#N)cnc2Cl)[C@H]1C ZINC000876657617 634876639 /nfs/dbraw/zinc/87/66/39/634876639.db2.gz PNCANFYJIZWMDE-MNOVXSKESA-N 1 1 263.772 3.227 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2cc(C#N)cnc2Cl)[C@H]1C ZINC000876657617 634876644 /nfs/dbraw/zinc/87/66/44/634876644.db2.gz PNCANFYJIZWMDE-MNOVXSKESA-N 1 1 263.772 3.227 20 30 CGEDMO C#CCCCCCCN1CCC([NH2+]C(C)C)CC1 ZINC000876661065 634877180 /nfs/dbraw/zinc/87/71/80/634877180.db2.gz ASNZSKXJSJQHDC-UHFFFAOYSA-N 1 1 250.430 3.033 20 30 CGEDMO CC(C)C[C@H]1CC[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876725698 634886947 /nfs/dbraw/zinc/88/69/47/634886947.db2.gz ORHZCZSRHQLDTK-GFCCVEGCSA-N 1 1 277.799 3.475 20 30 CGEDMO C#CCCCCCC[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000876807461 634902965 /nfs/dbraw/zinc/90/29/65/634902965.db2.gz DZKYVXXJHROMIP-SJORKVTESA-N 1 1 273.424 3.350 20 30 CGEDMO C=C(C)[C@H](CC(=O)OC[C@@H]1CCCC[N@H+]1C(C)C)OCC ZINC000837598679 634946228 /nfs/dbraw/zinc/94/62/28/634946228.db2.gz UYMJYUYNWVMXRU-HOTGVXAUSA-N 1 1 297.439 3.164 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCCC[C@@H]1c1nc(C)no1 ZINC000877524486 635072136 /nfs/dbraw/zinc/07/21/36/635072136.db2.gz XFESMDIEXJEGMY-OAHLLOKOSA-N 1 1 275.396 3.489 20 30 CGEDMO N#CC1(C[NH2+]Cc2cnc3c(F)cccc3c2)CCC1 ZINC000877594886 635105913 /nfs/dbraw/zinc/10/59/13/635105913.db2.gz LTZGGAWQVIJBJO-UHFFFAOYSA-N 1 1 269.323 3.157 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1nc2c(s1)CCC2 ZINC000877704914 635157287 /nfs/dbraw/zinc/15/72/87/635157287.db2.gz XIAQKIJXYVGGPQ-UHFFFAOYSA-N 1 1 297.427 3.178 20 30 CGEDMO C[N@H+]1CC[C@@H]2CN(Cc3ccc(C(C)(C)C#N)cc3)CC[C@@H]21 ZINC000877738736 635173747 /nfs/dbraw/zinc/17/37/47/635173747.db2.gz CVEFWGVERXDTDU-AEFFLSMTSA-N 1 1 297.446 3.014 20 30 CGEDMO COc1cc([N+](=O)[O-])ccc1N[NH2+]C(C)=C1CC1(F)F ZINC000841621772 635199129 /nfs/dbraw/zinc/19/91/29/635199129.db2.gz FPXXGRYIAVWNOF-VIFPVBQESA-N 1 1 285.250 3.046 20 30 CGEDMO CC([NH2+]Nc1ccc(F)c([N+](=O)[O-])c1)=C1CC1(F)F ZINC000841634912 635204280 /nfs/dbraw/zinc/20/42/80/635204280.db2.gz XYGLYKBGRKZKST-MRVPVSSYSA-N 1 1 273.214 3.177 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000877810505 635213710 /nfs/dbraw/zinc/21/37/10/635213710.db2.gz HYFIBHZRRBTLCA-BBRMVZONSA-N 1 1 276.355 3.219 20 30 CGEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)[C@@H](C)C1CC1)c1ccccc1 ZINC000877930160 635275115 /nfs/dbraw/zinc/27/51/15/635275115.db2.gz XKCOXUNWMOCLOC-KSSFIOAISA-N 1 1 284.403 3.157 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000877959484 635289564 /nfs/dbraw/zinc/28/95/64/635289564.db2.gz NAHGXVNTDOJVFG-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[C@@H](C)[NH+]1CCN(CC2CCCCC2)CC1 ZINC000878001499 635314792 /nfs/dbraw/zinc/31/47/92/635314792.db2.gz RYRDCNDEOPGHOS-OAHLLOKOSA-N 1 1 250.430 3.149 20 30 CGEDMO C[C@H](C#N)C[N@H+](C)C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000878034540 635331832 /nfs/dbraw/zinc/33/18/32/635331832.db2.gz GIGQGGWHWSMLRP-PVAVHDDUSA-N 1 1 272.392 3.388 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C)C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC000878034540 635331837 /nfs/dbraw/zinc/33/18/37/635331837.db2.gz GIGQGGWHWSMLRP-PVAVHDDUSA-N 1 1 272.392 3.388 20 30 CGEDMO CO[C@H]1C[C@@H](C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1 ZINC000878153216 635381971 /nfs/dbraw/zinc/38/19/71/635381971.db2.gz MILKJHWZILQMEG-BZZMCLGOSA-N 1 1 284.403 3.183 20 30 CGEDMO C#CCCCCC[N@@H+]1CCC[C@H]1c1c(C)n[nH]c1C ZINC000878322027 635461322 /nfs/dbraw/zinc/46/13/22/635461322.db2.gz ZIEQEDZBWAPNGW-HNNXBMFYSA-N 1 1 259.397 3.357 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000878384393 635483636 /nfs/dbraw/zinc/48/36/36/635483636.db2.gz KTMKUMWKQLMKMK-MELADBBJSA-N 1 1 282.428 3.186 20 30 CGEDMO C=CCC(C)(C)C(=O)OC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000842831888 635487184 /nfs/dbraw/zinc/48/71/84/635487184.db2.gz YCFNOZIXWYFDNW-AWEZNQCLSA-N 1 1 267.413 3.252 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCCC2(C)C)cc1 ZINC000127266682 635593461 /nfs/dbraw/zinc/59/34/61/635593461.db2.gz WNAHDCJYKCJSQR-CYBMUJFWSA-N 1 1 258.365 3.352 20 30 CGEDMO CC[C@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000878887987 635649606 /nfs/dbraw/zinc/64/96/06/635649606.db2.gz ZSYUXTFTBDYGIN-NVXWUHKLSA-N 1 1 299.418 3.338 20 30 CGEDMO CC[C@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000878887987 635649612 /nfs/dbraw/zinc/64/96/12/635649612.db2.gz ZSYUXTFTBDYGIN-NVXWUHKLSA-N 1 1 299.418 3.338 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CCOCC3)CO2)C1 ZINC000878914437 635656730 /nfs/dbraw/zinc/65/67/30/635656730.db2.gz CUNBAMCWVCQPQW-SJORKVTESA-N 1 1 293.451 3.250 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)cc1 ZINC000843415601 635661435 /nfs/dbraw/zinc/66/14/35/635661435.db2.gz DCOQVEWFFZYVRS-IEBWSBKVSA-N 1 1 299.414 3.090 20 30 CGEDMO C=CC[N@@H+](Cc1csc(-c2ccn(C)n2)n1)C(C)(C)C ZINC000878949552 635663236 /nfs/dbraw/zinc/66/32/36/635663236.db2.gz GPZWTELOYAITJC-UHFFFAOYSA-N 1 1 290.436 3.330 20 30 CGEDMO C=CC[N@H+](Cc1csc(-c2ccn(C)n2)n1)C(C)(C)C ZINC000878949552 635663238 /nfs/dbraw/zinc/66/32/38/635663238.db2.gz GPZWTELOYAITJC-UHFFFAOYSA-N 1 1 290.436 3.330 20 30 CGEDMO C=CC[N@@H+](C[C@@H]1CCC2(CCOCC2)O1)C(C)(C)C ZINC000878949833 635663369 /nfs/dbraw/zinc/66/33/69/635663369.db2.gz LCUGCZDWAFXLCW-AWEZNQCLSA-N 1 1 267.413 3.001 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000843423213 635667113 /nfs/dbraw/zinc/66/71/13/635667113.db2.gz AGISWNSWXVLJPY-MLBQELRYSA-N 1 1 284.359 3.343 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cn(C(C)C)nc2C)C1 ZINC000843424099 635668956 /nfs/dbraw/zinc/66/89/56/635668956.db2.gz VUEGPAODNUFVKQ-HNNXBMFYSA-N 1 1 259.397 3.008 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000843424601 635670107 /nfs/dbraw/zinc/67/01/07/635670107.db2.gz WWOKTOBYXBRRJS-HIFRSBDPSA-N 1 1 290.432 3.230 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000843424605 635670232 /nfs/dbraw/zinc/67/02/32/635670232.db2.gz WWOKTOBYXBRRJS-ZFWWWQNUSA-N 1 1 290.432 3.230 20 30 CGEDMO C=C/C=C\CC[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000879064583 635693597 /nfs/dbraw/zinc/69/35/97/635693597.db2.gz JZQLSDPVTCFNCQ-ARJAWSKDSA-N 1 1 252.361 3.243 20 30 CGEDMO C[N@H+](C[C@@H](O)c1cc2ccccc2o1)[C@@H]1CCC[C@H]1C#N ZINC000879310496 635751803 /nfs/dbraw/zinc/75/18/03/635751803.db2.gz UDXDALCBWCDCPJ-RRFJBIMHSA-N 1 1 284.359 3.090 20 30 CGEDMO C[N@@H+](C[C@@H](O)c1cc2ccccc2o1)[C@@H]1CCC[C@H]1C#N ZINC000879310496 635751806 /nfs/dbraw/zinc/75/18/06/635751806.db2.gz UDXDALCBWCDCPJ-RRFJBIMHSA-N 1 1 284.359 3.090 20 30 CGEDMO CC[C@@H]([NH2+]CC1(C#N)CCC1)c1cccc(OC)c1OC ZINC000879466047 635792686 /nfs/dbraw/zinc/79/26/86/635792686.db2.gz LUDQIXCNZLFYMB-CQSZACIVSA-N 1 1 288.391 3.438 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879620978 635820212 /nfs/dbraw/zinc/82/02/12/635820212.db2.gz UAEBIBAZHXBJJM-OAHLLOKOSA-N 1 1 286.419 3.081 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCO[C@H](c2ccccc2OC)C1 ZINC000879629291 635822682 /nfs/dbraw/zinc/82/26/82/635822682.db2.gz KYWHIKXFGNOFGR-BBRMVZONSA-N 1 1 261.365 3.033 20 30 CGEDMO C=CC[C@H](C)[N@@H+]1CCO[C@H](c2ccccc2OC)C1 ZINC000879629291 635822684 /nfs/dbraw/zinc/82/26/84/635822684.db2.gz KYWHIKXFGNOFGR-BBRMVZONSA-N 1 1 261.365 3.033 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cc(OC(C)C)ccn2)C1 ZINC000844348467 635876442 /nfs/dbraw/zinc/87/64/42/635876442.db2.gz ZEPXABINFXKCGV-HNNXBMFYSA-N 1 1 272.392 3.104 20 30 CGEDMO C[N@@H+](C[C@H](O)c1cccc(C#N)c1)CC1CCCCCC1 ZINC000844367470 635882378 /nfs/dbraw/zinc/88/23/78/635882378.db2.gz BPWFDQRPIONLMI-SFHVURJKSA-N 1 1 286.419 3.494 20 30 CGEDMO CCc1cccc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)c1 ZINC000844372078 635884110 /nfs/dbraw/zinc/88/41/10/635884110.db2.gz UXBGYQLNELFQRO-IBGZPJMESA-N 1 1 294.398 3.286 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)c(F)c1 ZINC000844435968 635900044 /nfs/dbraw/zinc/90/00/44/635900044.db2.gz OJXFSUWYENBRAX-CQSZACIVSA-N 1 1 280.293 3.319 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000844439370 635902727 /nfs/dbraw/zinc/90/27/27/635902727.db2.gz WOCIEZCMLVNTSK-OAHLLOKOSA-N 1 1 279.305 3.298 20 30 CGEDMO C#CCCCCC[N@H+]1CC[C@@H](C(F)(F)F)O[C@H](C)C1 ZINC000880065538 635906479 /nfs/dbraw/zinc/90/64/79/635906479.db2.gz VSRKIJBZXAHLBX-OLZOCXBDSA-N 1 1 277.330 3.222 20 30 CGEDMO C[N@@H+](CCOCCC#N)C1(Cc2ccccc2)CCCC1 ZINC000880122003 635917403 /nfs/dbraw/zinc/91/74/03/635917403.db2.gz RQVBMAZXDVNNJB-UHFFFAOYSA-N 1 1 286.419 3.404 20 30 CGEDMO C[C@@H](CCC#N)[NH+]1CCN([C@@H](C)c2ccccc2)CC1 ZINC000880251063 635957066 /nfs/dbraw/zinc/95/70/66/635957066.db2.gz PQXPEBIXXVSYLD-HOTGVXAUSA-N 1 1 271.408 3.057 20 30 CGEDMO N#Cc1c(F)cccc1C[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000880321117 635975048 /nfs/dbraw/zinc/97/50/48/635975048.db2.gz NBRXYGRLKZCNFS-LBPRGKRZSA-N 1 1 287.363 3.143 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CC[C@H](c2nccs2)C1 ZINC000880321117 635975051 /nfs/dbraw/zinc/97/50/51/635975051.db2.gz NBRXYGRLKZCNFS-LBPRGKRZSA-N 1 1 287.363 3.143 20 30 CGEDMO C=CC[C@H]1CC[C@@H]([NH2+]Cc2nc(-c3ccccc3)n[nH]2)C1 ZINC000845952384 636123597 /nfs/dbraw/zinc/12/35/97/636123597.db2.gz RKMKCUONXKPRHD-DZGCQCFKSA-N 1 1 282.391 3.306 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2F)C1 ZINC000845987171 636126951 /nfs/dbraw/zinc/12/69/51/636126951.db2.gz GEHBUOWHKQXNOU-ZDUSSCGKSA-N 1 1 291.366 3.078 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000846990126 636301535 /nfs/dbraw/zinc/30/15/35/636301535.db2.gz AOYSSALSEANZRW-OAHLLOKOSA-N 1 1 296.370 3.064 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000847023410 636314770 /nfs/dbraw/zinc/31/47/70/636314770.db2.gz MJUJDOWYBNKWMN-DLBZAZTESA-N 1 1 298.430 3.284 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000847023410 636314775 /nfs/dbraw/zinc/31/47/75/636314775.db2.gz MJUJDOWYBNKWMN-DLBZAZTESA-N 1 1 298.430 3.284 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000847026498 636316674 /nfs/dbraw/zinc/31/66/74/636316674.db2.gz FJWBDKSPVWWOHZ-CHWSQXEVSA-N 1 1 258.321 3.001 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+]([C@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000847026842 636316760 /nfs/dbraw/zinc/31/67/60/636316760.db2.gz QRTQAJPWWCUHNI-HUUCEWRRSA-N 1 1 295.386 3.067 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000847026842 636316764 /nfs/dbraw/zinc/31/67/64/636316764.db2.gz QRTQAJPWWCUHNI-HUUCEWRRSA-N 1 1 295.386 3.067 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(C)C)C1 ZINC000847026487 636317300 /nfs/dbraw/zinc/31/73/00/636317300.db2.gz FHYSZRGPHAKJSW-HNNXBMFYSA-N 1 1 284.403 3.094 20 30 CGEDMO C#C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(C)C)C1 ZINC000847026487 636317308 /nfs/dbraw/zinc/31/73/08/636317308.db2.gz FHYSZRGPHAKJSW-HNNXBMFYSA-N 1 1 284.403 3.094 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000847026837 636317564 /nfs/dbraw/zinc/31/75/64/636317564.db2.gz HTNCAOLHIWBCND-UONOGXRCSA-N 1 1 281.359 3.143 20 30 CGEDMO CC(C)c1c[nH]c(C[NH2+]C(C)(C)c2cccc(C#N)c2)n1 ZINC000883166517 636562505 /nfs/dbraw/zinc/56/25/05/636562505.db2.gz BQAUIFUXYCGZQH-UHFFFAOYSA-N 1 1 282.391 3.430 20 30 CGEDMO C#CCOc1ccc(C[NH2+]Cc2nc(C3CC3)cs2)cc1 ZINC000131146019 636563568 /nfs/dbraw/zinc/56/35/68/636563568.db2.gz QIQTYSZMTUYVHO-UHFFFAOYSA-N 1 1 298.411 3.322 20 30 CGEDMO CC(C)c1ccc(-c2noc([C@H]([NH3+])CCCCC#N)n2)cn1 ZINC000848628837 636622977 /nfs/dbraw/zinc/62/29/77/636622977.db2.gz SAGSUGDULPVKOV-CYBMUJFWSA-N 1 1 299.378 3.339 20 30 CGEDMO CC(=O)c1ccc(C#N)cc1N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848784904 636657337 /nfs/dbraw/zinc/65/73/37/636657337.db2.gz HHSFISYYMGAPJW-FUHWJXTLSA-N 1 1 297.402 3.190 20 30 CGEDMO CCc1cccc(C[N@@H+](C)Cc2ccc(C#N)cc2)c1O ZINC000848881804 636671616 /nfs/dbraw/zinc/67/16/16/636671616.db2.gz SIHJWDRMTZMOFF-UHFFFAOYSA-N 1 1 280.371 3.458 20 30 CGEDMO C=C(Br)C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000133462285 636899912 /nfs/dbraw/zinc/89/99/12/636899912.db2.gz ROLXMRYEVHGYQU-CQSZACIVSA-N 1 1 295.224 3.472 20 30 CGEDMO C=C(Br)C[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000133462285 636899916 /nfs/dbraw/zinc/89/99/16/636899916.db2.gz ROLXMRYEVHGYQU-CQSZACIVSA-N 1 1 295.224 3.472 20 30 CGEDMO CC(C)(C)[N@H+]1CC[C@@H]1COC(=O)CC1(C#N)CCCCC1 ZINC000851104410 637258439 /nfs/dbraw/zinc/25/84/39/637258439.db2.gz KKDAGVUQAVDYID-CQSZACIVSA-N 1 1 292.423 3.267 20 30 CGEDMO C[N@H+](Cc1ccc(Cl)s1)C[C@@H](O)CC1(C#N)CCC1 ZINC000885930580 637316736 /nfs/dbraw/zinc/31/67/36/637316736.db2.gz BBHKQOGYVHCOIX-NSHDSACASA-N 1 1 298.839 3.278 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@H]2c2cccs2)CCC1 ZINC000885931193 637317460 /nfs/dbraw/zinc/31/74/60/637317460.db2.gz QBQFGRYBEYOZKN-KGLIPLIRSA-N 1 1 290.432 3.330 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@@H]2c2ccsc2)CCC1 ZINC000885953769 637329321 /nfs/dbraw/zinc/32/93/21/637329321.db2.gz FMHNRGOMJLHSOI-HUUCEWRRSA-N 1 1 290.432 3.330 20 30 CGEDMO C[C@H](C[N@@H+](C)C[C@H](O)CC1(C#N)CCC1)c1ccccc1 ZINC000885981515 637341843 /nfs/dbraw/zinc/34/18/43/637341843.db2.gz HTFWZBUNDGXTSX-NVXWUHKLSA-N 1 1 286.419 3.167 20 30 CGEDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886012402 637361809 /nfs/dbraw/zinc/36/18/09/637361809.db2.gz GRGAWHJSYYFJEI-NXHRZFHOSA-N 1 1 298.430 3.309 20 30 CGEDMO CC(C)[C@@H]1CCC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000886012807 637362090 /nfs/dbraw/zinc/36/20/90/637362090.db2.gz OXQLDZWYLWOREQ-CVEARBPZSA-N 1 1 278.440 3.189 20 30 CGEDMO N#CC1(C[C@H](O)C[N@H+]2CC[C@H]2c2cccc(F)c2)CCC1 ZINC000886032425 637374710 /nfs/dbraw/zinc/37/47/10/637374710.db2.gz GILIFKREAXDRMM-HOTGVXAUSA-N 1 1 288.366 3.017 20 30 CGEDMO C[C@@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCC2)[C@H]1c1ccccc1 ZINC000886033352 637376575 /nfs/dbraw/zinc/37/65/75/637376575.db2.gz SZFZMYJWHNFNCT-DJIMGWMZSA-N 1 1 284.403 3.124 20 30 CGEDMO C=CCCCC(=O)OC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000851467159 637408877 /nfs/dbraw/zinc/40/88/77/637408877.db2.gz QFCVMJWMFDJHQB-MRXNPFEDSA-N 1 1 273.376 3.160 20 30 CGEDMO Cc1ccc(C[N@@H+](C)C[C@@H](O)CC2(C#N)CCC2)cc1C ZINC000886238920 637467238 /nfs/dbraw/zinc/46/72/38/637467238.db2.gz LXCBESRQOYGRNC-KRWDZBQOSA-N 1 1 286.419 3.180 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC000851731723 637481422 /nfs/dbraw/zinc/48/14/22/637481422.db2.gz XQAXMSYIYDGSFF-UHFFFAOYSA-N 1 1 252.289 3.130 20 30 CGEDMO C[N@@H+](CCc1ccc(C#N)cc1)CCc1ccccc1F ZINC000851766561 637494093 /nfs/dbraw/zinc/49/40/93/637494093.db2.gz GUHZMZHRVZAGJI-UHFFFAOYSA-N 1 1 282.362 3.414 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(C(C)=O)ccc2OCC)C1 ZINC000886353584 637509275 /nfs/dbraw/zinc/50/92/75/637509275.db2.gz LZOGSXKXPZOVOR-OAHLLOKOSA-N 1 1 285.387 3.133 20 30 CGEDMO C#CC[C@@H]1CC[N@H+]([C@@H](C)c2nnc(-c3cccs3)o2)C1 ZINC000886353737 637509745 /nfs/dbraw/zinc/50/97/45/637509745.db2.gz OIATUUYORORKQW-NWDGAFQWSA-N 1 1 287.388 3.204 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000886353119 637509951 /nfs/dbraw/zinc/50/99/51/637509951.db2.gz BYDDMPHHDRPCAA-AWEZNQCLSA-N 1 1 266.344 3.187 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2nc3ccccc3n2C(F)F)C1 ZINC000886355493 637510818 /nfs/dbraw/zinc/51/08/18/637510818.db2.gz JHMRRWSEOHFLCO-LBPRGKRZSA-N 1 1 289.329 3.277 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2nc3ccccc3n2C(F)F)C1 ZINC000886355493 637510819 /nfs/dbraw/zinc/51/08/19/637510819.db2.gz JHMRRWSEOHFLCO-LBPRGKRZSA-N 1 1 289.329 3.277 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000886355449 637511497 /nfs/dbraw/zinc/51/14/97/637511497.db2.gz IWFAPIGQTJNAAY-CQSZACIVSA-N 1 1 266.344 3.187 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+]([C@@H](C)c2noc(-c3ccccc3)n2)C1 ZINC000886364193 637514231 /nfs/dbraw/zinc/51/42/31/637514231.db2.gz RLPDBHZQZYLWKJ-UONOGXRCSA-N 1 1 281.359 3.143 20 30 CGEDMO C#CC[C@@H]1CC[N@H+]([C@@H](C)c2noc(-c3ccccc3)n2)C1 ZINC000886364193 637514235 /nfs/dbraw/zinc/51/42/35/637514235.db2.gz RLPDBHZQZYLWKJ-UONOGXRCSA-N 1 1 281.359 3.143 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(C(C)C)nc2C)C1 ZINC000886365934 637516034 /nfs/dbraw/zinc/51/60/34/637516034.db2.gz SXDDAQZNFIXPKC-HNNXBMFYSA-N 1 1 256.393 3.359 20 30 CGEDMO C#CCOCC[N@H+]1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000851841644 637519080 /nfs/dbraw/zinc/51/90/80/637519080.db2.gz WCDXFOAJEHFZKF-SFHVURJKSA-N 1 1 282.387 3.345 20 30 CGEDMO CC(C)=CCC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000851880808 637528087 /nfs/dbraw/zinc/52/80/87/637528087.db2.gz CYTPNEPFNXUWGT-QGZVFWFLSA-N 1 1 270.376 3.288 20 30 CGEDMO CC(C)=CCC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000851880808 637528102 /nfs/dbraw/zinc/52/81/02/637528102.db2.gz CYTPNEPFNXUWGT-QGZVFWFLSA-N 1 1 270.376 3.288 20 30 CGEDMO Cc1ccccc1[C@H](CO)[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000886441848 637530587 /nfs/dbraw/zinc/53/05/87/637530587.db2.gz IRFOGMWSDZPMBQ-IBGZPJMESA-N 1 1 294.398 3.075 20 30 CGEDMO C#CCOCC[N@H+](C(C)C)[C@H](C)c1ccsc1 ZINC000852184014 637612220 /nfs/dbraw/zinc/61/22/20/637612220.db2.gz DNZNWGLNGUKESG-CYBMUJFWSA-N 1 1 251.395 3.169 20 30 CGEDMO C#CC1CC[NH+](Cc2cccc(F)c2OC(F)F)CC1 ZINC000852205489 637614999 /nfs/dbraw/zinc/61/49/99/637614999.db2.gz MYEKCAJZCAUKEZ-UHFFFAOYSA-N 1 1 283.293 3.272 20 30 CGEDMO C[C@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)c1c(O)cccc1F ZINC000886647976 637628434 /nfs/dbraw/zinc/62/84/34/637628434.db2.gz IDEFCOBEPOUONV-NHYWBVRUSA-N 1 1 296.345 3.221 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](CC2(Br)CC2)C1 ZINC000852410668 637648572 /nfs/dbraw/zinc/64/85/72/637648572.db2.gz OYABGQWRTHSDIL-NSHDSACASA-N 1 1 258.203 3.202 20 30 CGEDMO C=CC[N@H+](Cc1cn(Cc2ccccc2)nn1)C(C)(C)C ZINC000852554762 637678185 /nfs/dbraw/zinc/67/81/85/637678185.db2.gz VVFOWEWGZHCEOG-UHFFFAOYSA-N 1 1 284.407 3.113 20 30 CGEDMO C=CC[N@@H+](Cc1cn(Cc2ccccc2)nn1)C(C)(C)C ZINC000852554762 637678190 /nfs/dbraw/zinc/67/81/90/637678190.db2.gz VVFOWEWGZHCEOG-UHFFFAOYSA-N 1 1 284.407 3.113 20 30 CGEDMO C#CCC[N@H+](CCOC)CC[C@@H]1CCc2ccccc21 ZINC000852750320 637706591 /nfs/dbraw/zinc/70/65/91/637706591.db2.gz PZYJRWRDXYAEMR-KRWDZBQOSA-N 1 1 271.404 3.078 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000886822703 637708106 /nfs/dbraw/zinc/70/81/06/637708106.db2.gz UEWRUXGZWGGGKF-WMZOPIPTSA-N 1 1 298.430 3.489 20 30 CGEDMO CO[C@H](C=[NH+]n1cnnc1-c1ccccc1)C1CCCCC1 ZINC000853283721 637800195 /nfs/dbraw/zinc/80/01/95/637800195.db2.gz BCQNVRSDVLKVBU-MRXNPFEDSA-N 1 1 298.390 3.374 20 30 CGEDMO Cc1cc2ncn(C[N@H+]3CCC[C@@H](CC#N)C3)c2cc1C ZINC000853525031 637861482 /nfs/dbraw/zinc/86/14/82/637861482.db2.gz BLAHBVIOUANODC-HNNXBMFYSA-N 1 1 282.391 3.236 20 30 CGEDMO C=CC[N@@H+](Cn1cnc2cc(C)c(C)cc21)[C@H](C)COC ZINC000853533047 637862829 /nfs/dbraw/zinc/86/28/29/637862829.db2.gz SRHTWZJCHHUHAG-OAHLLOKOSA-N 1 1 287.407 3.134 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cn2ccc(-c3nccs3)n2)C1 ZINC000853537055 637864072 /nfs/dbraw/zinc/86/40/72/637864072.db2.gz NROZXNUVYYVFDZ-CYBMUJFWSA-N 1 1 288.420 3.252 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cn2ncc(Cl)c2C)C1 ZINC000853536397 637864457 /nfs/dbraw/zinc/86/44/57/637864457.db2.gz BYBZWURLELDTJM-GFCCVEGCSA-N 1 1 253.777 3.091 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cn2ncc(Cl)c2C)C1 ZINC000853536397 637864460 /nfs/dbraw/zinc/86/44/60/637864460.db2.gz BYBZWURLELDTJM-GFCCVEGCSA-N 1 1 253.777 3.091 20 30 CGEDMO N#CCC1(CO[NH+]=C(N)CCCc2ccccc2)CC1 ZINC000853661689 637885766 /nfs/dbraw/zinc/88/57/66/637885766.db2.gz ZFAVFGYDMLNCOK-UHFFFAOYSA-N 1 1 271.364 3.202 20 30 CGEDMO C=C1CCC(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000887767845 637902175 /nfs/dbraw/zinc/90/21/75/637902175.db2.gz ZIKWBHMPRUHIPX-GOSISDBHSA-N 1 1 298.430 3.248 20 30 CGEDMO C=C1CCC(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000887767845 637902181 /nfs/dbraw/zinc/90/21/81/637902181.db2.gz ZIKWBHMPRUHIPX-GOSISDBHSA-N 1 1 298.430 3.248 20 30 CGEDMO CC(C)(C)c1ccc(CO[NH+]=C(N)C2CCOCC2)cc1 ZINC000112086546 638036997 /nfs/dbraw/zinc/03/69/97/638036997.db2.gz DJSJLEDOTDPFTR-UHFFFAOYSA-N 1 1 290.407 3.200 20 30 CGEDMO CC(C)Cc1ccc(CO[NH+]=C(N)C2CCOCC2)cc1 ZINC000112087575 638037575 /nfs/dbraw/zinc/03/75/75/638037575.db2.gz JZQSIFUYHRTSCW-UHFFFAOYSA-N 1 1 290.407 3.101 20 30 CGEDMO CCCCCCCCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000112605573 638098934 /nfs/dbraw/zinc/09/89/34/638098934.db2.gz QFOKPZVCIKOWAV-HNNXBMFYSA-N 1 1 268.445 3.338 20 30 CGEDMO C=CC[C@H]([NH2+][C@@H](C)c1cc(OC)no1)c1ccncc1 ZINC000925074460 638447872 /nfs/dbraw/zinc/44/78/72/638447872.db2.gz HDLVVHYGDYQICS-AAEUAGOBSA-N 1 1 273.336 3.046 20 30 CGEDMO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccnnc1 ZINC000925602262 638542532 /nfs/dbraw/zinc/54/25/32/638542532.db2.gz STPVTKIGKIDOQB-XJKSGUPXSA-N 1 1 266.348 3.172 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1cn2c(n1)CCCC2 ZINC000926627340 638791766 /nfs/dbraw/zinc/79/17/66/638791766.db2.gz LKYBQKPDOPLGQL-CQSZACIVSA-N 1 1 294.402 3.136 20 30 CGEDMO C[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1cn(C)cn1 ZINC000926669584 638796656 /nfs/dbraw/zinc/79/66/56/638796656.db2.gz SSGLQZJOVQEHSJ-CYBMUJFWSA-N 1 1 280.375 3.022 20 30 CGEDMO C=CC(C)(C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCOC ZINC000926820888 638815267 /nfs/dbraw/zinc/81/52/67/638815267.db2.gz GVDGCFPQWIMWJT-ALOPSCKCSA-N 1 1 294.483 3.210 20 30 CGEDMO CC[C@H]([NH2+]CC1(C#N)CCCC1)c1cccc(OC)n1 ZINC000926874327 638820031 /nfs/dbraw/zinc/82/00/31/638820031.db2.gz OVKNORAYVNTTLI-ZDUSSCGKSA-N 1 1 273.380 3.215 20 30 CGEDMO C=CCn1ncc2ccc(N[C@H]3CC[N@H+]4CCC[C@H]4C3)cc21 ZINC000927067876 638837480 /nfs/dbraw/zinc/83/74/80/638837480.db2.gz RCZGPRTZXKPPRB-IRXDYDNUSA-N 1 1 296.418 3.261 20 30 CGEDMO C=CCn1ncc2ccc(N[C@@H]3CC[N@H+](CC)C[C@@H]3C)cc21 ZINC000927069778 638837901 /nfs/dbraw/zinc/83/79/01/638837901.db2.gz CFZGQQMEUKWDCS-WMLDXEAASA-N 1 1 298.434 3.365 20 30 CGEDMO CC[C@@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1ccc(C#N)cc1 ZINC000927107163 638842744 /nfs/dbraw/zinc/84/27/44/638842744.db2.gz HOGLOCXGYFNSIM-QGZVFWFLSA-N 1 1 294.402 3.410 20 30 CGEDMO N#Cc1cncc(C[N@@H+]2CCC[C@H]2c2ccsc2)c1 ZINC000929261733 638913320 /nfs/dbraw/zinc/91/33/20/638913320.db2.gz BMRPYEICACRCLR-HNNXBMFYSA-N 1 1 269.373 3.352 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCC[C@H]2c2ccsc2)c1 ZINC000929261733 638913322 /nfs/dbraw/zinc/91/33/22/638913322.db2.gz BMRPYEICACRCLR-HNNXBMFYSA-N 1 1 269.373 3.352 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@H+](C)[C@@H](C)c2ccco2)cc1 ZINC000929370341 638921954 /nfs/dbraw/zinc/92/19/54/638921954.db2.gz PPHXMSFIEFNJET-AWEZNQCLSA-N 1 1 296.370 3.283 20 30 CGEDMO N#Cc1cncc(C[N@@H+]2CCS[C@@H](c3ccccc3)C2)c1 ZINC000929671687 638939676 /nfs/dbraw/zinc/93/96/76/638939676.db2.gz ALPJFKVYTDGZHH-QGZVFWFLSA-N 1 1 295.411 3.243 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCS[C@@H](c3ccccc3)C2)c1 ZINC000929671687 638939677 /nfs/dbraw/zinc/93/96/77/638939677.db2.gz ALPJFKVYTDGZHH-QGZVFWFLSA-N 1 1 295.411 3.243 20 30 CGEDMO CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(C)cc(C#N)cc2C)C1 ZINC000929779786 638950445 /nfs/dbraw/zinc/95/04/45/638950445.db2.gz OJVWGPQTSGNVEO-KRWDZBQOSA-N 1 1 299.462 3.339 20 30 CGEDMO CCC[N@H+](C)C[C@@H]1CCN(Cc2c(C)cc(C#N)cc2C)C1 ZINC000929779786 638950453 /nfs/dbraw/zinc/95/04/53/638950453.db2.gz OJVWGPQTSGNVEO-KRWDZBQOSA-N 1 1 299.462 3.339 20 30 CGEDMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2c(C)cc(C#N)cc2C)C1 ZINC000929779786 638950456 /nfs/dbraw/zinc/95/04/56/638950456.db2.gz OJVWGPQTSGNVEO-KRWDZBQOSA-N 1 1 299.462 3.339 20 30 CGEDMO CCN1CCC([N@@H+](C)CCCCC2(C#N)CCC2)CC1 ZINC000929781550 638950979 /nfs/dbraw/zinc/95/09/79/638950979.db2.gz XFIFWKKVAYUZCK-UHFFFAOYSA-N 1 1 277.456 3.267 20 30 CGEDMO C[N@@H+](CCC1CCOCC1)CC1CCC(C#N)CC1 ZINC000929828191 638955368 /nfs/dbraw/zinc/95/53/68/638955368.db2.gz XODBXOBWRAOTCL-UHFFFAOYSA-N 1 1 264.413 3.065 20 30 CGEDMO COc1ccc(C[N@@H+](C)CCCCC2(C#N)CCC2)cn1 ZINC000930070162 638972206 /nfs/dbraw/zinc/97/22/06/638972206.db2.gz PXXFKDRIIIWOQE-UHFFFAOYSA-N 1 1 287.407 3.386 20 30 CGEDMO C[C@@H]([NH2+]C[C@H](O)CC#N)c1cc(F)c(Cl)cc1Cl ZINC000930182686 638980752 /nfs/dbraw/zinc/98/07/52/638980752.db2.gz KAEMDRUHKDCXGS-HTQZYQBOSA-N 1 1 291.153 3.058 20 30 CGEDMO Cc1c(C[N@@H+](C)CCCCC2(C#N)CCC2)cnn1C ZINC000930266538 638986739 /nfs/dbraw/zinc/98/67/39/638986739.db2.gz AGFVKGNYNJLHLD-UHFFFAOYSA-N 1 1 274.412 3.025 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCCC[C@H]1C[C@@H](C)O ZINC000930268921 638987538 /nfs/dbraw/zinc/98/75/38/638987538.db2.gz SPXWQZQLJPVAKJ-WBVHZDCISA-N 1 1 286.419 3.301 20 30 CGEDMO C[C@H](CO)[N@H+](Cc1cc(Cl)cc(C#N)c1)CC1CCC1 ZINC000930292396 638988690 /nfs/dbraw/zinc/98/86/90/638988690.db2.gz GJQBXWULYJFTLS-GFCCVEGCSA-N 1 1 292.810 3.195 20 30 CGEDMO CO[C@@H]1CC[N@@H+](CCCCC2(C#N)CCC2)[C@H](C)C1 ZINC000930325099 638990943 /nfs/dbraw/zinc/99/09/43/638990943.db2.gz VPPZZWSUMAZAAL-HUUCEWRRSA-N 1 1 264.413 3.350 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000930364243 638993218 /nfs/dbraw/zinc/99/32/18/638993218.db2.gz FNKPKDXBNXDOQG-MSOLQXFVSA-N 1 1 284.403 3.319 20 30 CGEDMO CC(=O)c1ccc(C#N)cc1NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000858779570 639020439 /nfs/dbraw/zinc/02/04/39/639020439.db2.gz AREZVEQEBBBNNF-INIZCTEOSA-N 1 1 297.402 3.190 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000930815446 639071178 /nfs/dbraw/zinc/07/11/78/639071178.db2.gz COYKDZAULAFPLR-RDBSUJKOSA-N 1 1 289.341 3.222 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000930869089 639080484 /nfs/dbraw/zinc/08/04/84/639080484.db2.gz ZXDIZCZTWPHSAM-HNNXBMFYSA-N 1 1 276.330 3.406 20 30 CGEDMO C[C@H](CO)[C@H]1CCCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000930966849 639091619 /nfs/dbraw/zinc/09/16/19/639091619.db2.gz ZMKGLVMDQNUZIL-HZPDHXFCSA-N 1 1 278.440 3.333 20 30 CGEDMO C=CC[N@@H+](C[C@@H](O)CC[C@@H](O)c1ccccc1)C(C)(C)C ZINC000931017208 639097980 /nfs/dbraw/zinc/09/79/80/639097980.db2.gz NVFFPMICRSABMI-DLBZAZTESA-N 1 1 291.435 3.148 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(F)cncc1F ZINC000931063793 639105583 /nfs/dbraw/zinc/10/55/83/639105583.db2.gz UUVWPSOTQMYKAY-PHIMTYICSA-N 1 1 250.292 3.043 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(F)cncc1F ZINC000931063793 639105593 /nfs/dbraw/zinc/10/55/93/639105593.db2.gz UUVWPSOTQMYKAY-PHIMTYICSA-N 1 1 250.292 3.043 20 30 CGEDMO Cc1ccc(O[C@@H]2CC[N@@H+](CC3CCC(C#N)CC3)C2)nc1 ZINC000931271874 639129732 /nfs/dbraw/zinc/12/97/32/639129732.db2.gz OEKMITJVQNDWMZ-OFLPRAFFSA-N 1 1 299.418 3.173 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cncc(C(F)(F)F)c2)C1 ZINC000859446180 639142841 /nfs/dbraw/zinc/14/28/41/639142841.db2.gz WIVWTJXFNCMCEL-NSHDSACASA-N 1 1 270.298 3.498 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(C)nc2Cl)C1 ZINC000859445968 639143099 /nfs/dbraw/zinc/14/30/99/639143099.db2.gz RUUQNFUOEMRDMU-LBPRGKRZSA-N 1 1 250.773 3.441 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)Cc2c[nH]nc21 ZINC000931456588 639152259 /nfs/dbraw/zinc/15/22/59/639152259.db2.gz ACDHHNXVSGBESK-ZDUSSCGKSA-N 1 1 294.402 3.330 20 30 CGEDMO C=C(CC)C[N@H+]1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC000931797278 639208010 /nfs/dbraw/zinc/20/80/10/639208010.db2.gz UQFKOVZQEZTGSG-KRWDZBQOSA-N 1 1 267.376 3.323 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931918497 639230946 /nfs/dbraw/zinc/23/09/46/639230946.db2.gz OLKZQENEBQVGAN-JTQLQIEISA-N 1 1 251.267 3.319 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000931957739 639243987 /nfs/dbraw/zinc/24/39/87/639243987.db2.gz GEAFBFHKDHGXBN-ZIAGYGMSSA-N 1 1 282.428 3.045 20 30 CGEDMO C=CCCC[N@H+]1Cc2ccccc2OC2(CCOCC2)C1 ZINC000932042085 639254850 /nfs/dbraw/zinc/25/48/50/639254850.db2.gz JRLUYNAPAVBIGM-UHFFFAOYSA-N 1 1 287.403 3.396 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](c2ccn(C)n2)C1 ZINC000932137431 639272563 /nfs/dbraw/zinc/27/25/63/639272563.db2.gz VVTAQHLDIAUVMB-HNNXBMFYSA-N 1 1 261.413 3.346 20 30 CGEDMO C#CCC1([NH2+]Cc2c(F)c(F)c(F)c(F)c2F)CCC1 ZINC000933294447 639436256 /nfs/dbraw/zinc/43/62/56/639436256.db2.gz JXLFXVVSKMLJMI-UHFFFAOYSA-N 1 1 289.247 3.418 20 30 CGEDMO C#CCCCCC[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933633397 639472614 /nfs/dbraw/zinc/47/26/14/639472614.db2.gz WSBRIJMJWRHSMR-GOSISDBHSA-N 1 1 282.387 3.125 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1[C@@H](CC)C(=O)Nc1ccc(OC)cc1 ZINC000934471174 639616054 /nfs/dbraw/zinc/61/60/54/639616054.db2.gz HWPQZBVTQDWZRV-HOCLYGCPSA-N 1 1 288.391 3.063 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000935116725 639752860 /nfs/dbraw/zinc/75/28/60/639752860.db2.gz AOBIJAQEMBEUOQ-UWWQBHOKSA-N 1 1 286.419 3.150 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000192036760 640345899 /nfs/dbraw/zinc/34/58/99/640345899.db2.gz SQLACUPCASACEN-CQSZACIVSA-N 1 1 265.397 3.150 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@@H+](C)Cc2cccn2C)cc1 ZINC000093584701 640776810 /nfs/dbraw/zinc/77/68/10/640776810.db2.gz GVXPFXDIFDGKOY-UHFFFAOYSA-N 1 1 296.418 3.007 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2coc3c2cccc3C)C1 ZINC001007506505 640942324 /nfs/dbraw/zinc/94/23/24/640942324.db2.gz ODXGRCDBSGZCRY-AWEZNQCLSA-N 1 1 298.386 3.121 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2sc(C)cc2C)C1 ZINC001007438923 640942849 /nfs/dbraw/zinc/94/28/49/640942849.db2.gz XFPHLVSWXMAWPM-CQSZACIVSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)c2cccs2)C1 ZINC001008508883 640951670 /nfs/dbraw/zinc/95/16/70/640951670.db2.gz DPOLLOSSQUXWBE-ZIAGYGMSSA-N 1 1 292.448 3.008 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)c2ccsc2)C1 ZINC001008496387 640952161 /nfs/dbraw/zinc/95/21/61/640952161.db2.gz CXSASJNQNKNTCZ-DZGCQCFKSA-N 1 1 292.448 3.008 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)ccc2C)C1 ZINC001009327094 640959576 /nfs/dbraw/zinc/95/95/76/640959576.db2.gz LRZKDIYASUPKRH-MRXNPFEDSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CC2CCCCC2)C1 ZINC001010072137 640966302 /nfs/dbraw/zinc/96/63/02/640966302.db2.gz BKYAOKNSLWFCHF-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001010520886 640969273 /nfs/dbraw/zinc/96/92/73/640969273.db2.gz VMYNONMBDYRECD-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2c(C)cccc2Cl)C1 ZINC001015654997 640983852 /nfs/dbraw/zinc/98/38/52/640983852.db2.gz JSIISAQGSAHOEB-CYBMUJFWSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1 ZINC001015795228 640986571 /nfs/dbraw/zinc/98/65/71/640986571.db2.gz TXUPWFWUIDTISC-MPGHIAIKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001016039100 640989189 /nfs/dbraw/zinc/98/91/89/640989189.db2.gz CZJJHGJXTYAOLK-BRWVUGGUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001016078638 640991088 /nfs/dbraw/zinc/99/10/88/640991088.db2.gz XNQYPIWCZOOLTK-KRWDZBQOSA-N 1 1 286.419 3.190 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC001016169537 640993076 /nfs/dbraw/zinc/99/30/76/640993076.db2.gz VKNNEIJAFGLETF-KRWDZBQOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCCCC2(C)C)C1 ZINC001016424746 640998059 /nfs/dbraw/zinc/99/80/59/640998059.db2.gz NNAXCYDXEFLNOB-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CC(C)(C)C1 ZINC001017840338 641017652 /nfs/dbraw/zinc/01/76/52/641017652.db2.gz CXYJAKOPCWGIKJ-IYBDPMFKSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CCC[C@H]1C ZINC001017906149 641018429 /nfs/dbraw/zinc/01/84/29/641018429.db2.gz VSZZPEIUWCZCIN-CBZIJGRNSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(CC)(CC)CC ZINC001018106702 641020056 /nfs/dbraw/zinc/02/00/56/641020056.db2.gz FEWUDOVMUQMOAF-IYBDPMFKSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(CC)(CC)CC ZINC001018106702 641020061 /nfs/dbraw/zinc/02/00/61/641020061.db2.gz FEWUDOVMUQMOAF-IYBDPMFKSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1ccc(C)cc1F ZINC001155435023 805582314 /nfs/dbraw/zinc/58/23/14/805582314.db2.gz KADFSRCRCUPPOC-CQSZACIVSA-N 1 1 292.398 3.150 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)CCC1CC1 ZINC001155484501 805586184 /nfs/dbraw/zinc/58/61/84/805586184.db2.gz JHXNCERDKVGACJ-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)CC(C)(C)C ZINC001155638759 805598513 /nfs/dbraw/zinc/59/85/13/805598513.db2.gz JPIHDJYCTIDMKC-LSDHHAIUSA-N 1 1 282.472 3.461 20 30 CGEDMO C[N@H+]1CCC[C@H](CCNc2ccc(C3(C#N)CCC3)cn2)C1 ZINC001156379671 805679899 /nfs/dbraw/zinc/67/98/99/805679899.db2.gz WPVSHGNUIHNPOW-OAHLLOKOSA-N 1 1 298.434 3.171 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)c1ccc(C)cc1 ZINC001156454546 805695607 /nfs/dbraw/zinc/69/56/07/805695607.db2.gz IMDKKPSIYVCBDC-HZPDHXFCSA-N 1 1 288.435 3.111 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCCNc1ncc(Cl)cc1C#N ZINC001156928913 805756318 /nfs/dbraw/zinc/75/63/18/805756318.db2.gz QUQDDEBWYNWPRW-LBPRGKRZSA-N 1 1 292.814 3.283 20 30 CGEDMO C=CCCCCCCNC(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[N@@H+]2C1 ZINC001157258672 805793864 /nfs/dbraw/zinc/79/38/64/805793864.db2.gz UGIYINUCRPISQI-BRWVUGGUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@@H]1C[N@H+](C)CCCC ZINC001157711676 805857076 /nfs/dbraw/zinc/85/70/76/805857076.db2.gz VZVIVAFHKMEAJM-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCF ZINC001158376876 805948188 /nfs/dbraw/zinc/94/81/88/805948188.db2.gz DMSWQXKWTUQMTK-HZPDHXFCSA-N 1 1 298.446 3.261 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1C[N@H+](C)C(C)C ZINC001158369513 805946063 /nfs/dbraw/zinc/94/60/63/805946063.db2.gz HVEJYKRNABQASK-JKSUJKDBSA-N 1 1 280.456 3.310 20 30 CGEDMO C#CC[N@H+](C[C@@H](O)CCCC)[C@@H]1CCc2ccccc21 ZINC001252089529 805988704 /nfs/dbraw/zinc/98/87/04/805988704.db2.gz QMYXOGMHKXHTAL-FUHWJXTLSA-N 1 1 271.404 3.160 20 30 CGEDMO C#C[C@@](C)(CC)Nc1cc2cc(OC)ccc2c[nH+]1 ZINC001158743762 805995906 /nfs/dbraw/zinc/99/59/06/805995906.db2.gz ZLPGHUSSCCSVEM-INIZCTEOSA-N 1 1 254.333 3.457 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@H](CCO)C1 ZINC001252130329 806015293 /nfs/dbraw/zinc/01/52/93/806015293.db2.gz OKEAGXONLQOUQF-SJORKVTESA-N 1 1 285.472 3.192 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@H](CO)CC1 ZINC001252123337 806011854 /nfs/dbraw/zinc/01/18/54/806011854.db2.gz GGWYGNRROITZFM-DLBZAZTESA-N 1 1 285.472 3.192 20 30 CGEDMO CCCCCCCC[C@H](O)CN1CCC[N@H+]2CCC[C@H]2C1 ZINC001252130000 806014638 /nfs/dbraw/zinc/01/46/38/806014638.db2.gz IMHCWVJPKYFHRP-ROUUACIJSA-N 1 1 296.499 3.268 20 30 CGEDMO C#C[C@H]1CCC[N@H+](C[C@@H](O)CCCCCCCC)C1 ZINC001252129813 806014988 /nfs/dbraw/zinc/01/49/88/806014988.db2.gz FCBUDIZIDAZTJD-IRXDYDNUSA-N 1 1 265.441 3.443 20 30 CGEDMO CCCCCCCC[C@@H](O)C[NH+]1CC(N2CCCCC2)C1 ZINC001252130334 806016587 /nfs/dbraw/zinc/01/65/87/806016587.db2.gz OOMLLMHFXNPDFL-GOSISDBHSA-N 1 1 296.499 3.268 20 30 CGEDMO CCCCCCCC[C@@H](O)C[NH+]1CCC(N2CCC2)CC1 ZINC001252132624 806017454 /nfs/dbraw/zinc/01/74/54/806017454.db2.gz KGZNWXPYTKMPKU-GOSISDBHSA-N 1 1 296.499 3.268 20 30 CGEDMO CCCCCCC[N@@H+](C)C[C@@H](O)COCCCC ZINC001252512080 806052337 /nfs/dbraw/zinc/05/23/37/806052337.db2.gz KIDVXEXPRQJGAI-OAHLLOKOSA-N 1 1 259.434 3.066 20 30 CGEDMO C=C[C@](C)(O)C[N@@H+]1CCC[C@@H]1c1ccc(OCC)cc1 ZINC001252555401 806064565 /nfs/dbraw/zinc/06/45/65/806064565.db2.gz UDSRDPKDQYPWJE-SJORKVTESA-N 1 1 275.392 3.159 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+]1CCC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC001252560423 806065400 /nfs/dbraw/zinc/06/54/00/806065400.db2.gz ROMLJEADFHPMSD-HZPDHXFCSA-N 1 1 295.810 3.120 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC001252561368 806066742 /nfs/dbraw/zinc/06/67/42/806066742.db2.gz ZVRMZJFWNSEPDW-DZGCQCFKSA-N 1 1 265.784 3.066 20 30 CGEDMO Cc1[nH+]c(N[C@@H](C)c2cccc(N)c2)ccc1CC#N ZINC001159639448 806138360 /nfs/dbraw/zinc/13/83/60/806138360.db2.gz RWKRVFMELFOBCL-LBPRGKRZSA-N 1 1 266.348 3.211 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CCNC(=O)CCC2CC2)CC1 ZINC001159642557 806141372 /nfs/dbraw/zinc/14/13/72/806141372.db2.gz KPALBRJKNMVYPP-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[N@H+]1CCC[C@@H]1CO ZINC001252980611 806144979 /nfs/dbraw/zinc/14/49/79/806144979.db2.gz WSPHKLMHOWRJLL-SJORKVTESA-N 1 1 285.472 3.335 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[NH+]1CC2(CCO2)C1 ZINC001252985878 806146857 /nfs/dbraw/zinc/14/68/57/806146857.db2.gz QWMHBJMLTUWVRL-INIZCTEOSA-N 1 1 283.456 3.353 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CCNC(=O)CC2CCC2)CC1 ZINC001159693544 806153614 /nfs/dbraw/zinc/15/36/14/806153614.db2.gz MHNBVYCVDKQMFI-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1C[C@@H](F)C[C@H]1C ZINC001253234161 806188631 /nfs/dbraw/zinc/18/86/31/806188631.db2.gz VRPDAAZVMCYINT-ILXRZTDVSA-N 1 1 257.393 3.306 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+](CCOC)C(C)C ZINC001253240006 806189706 /nfs/dbraw/zinc/18/97/06/806189706.db2.gz WYLHFQVGGCYQBD-MRXNPFEDSA-N 1 1 271.445 3.231 20 30 CGEDMO C=CCCCCCC[C@H](O)C[NH+]1CCC(N2CCC2)CC1 ZINC001253240793 806191590 /nfs/dbraw/zinc/19/15/90/806191590.db2.gz AAASJGIDCDIVSY-SFHVURJKSA-N 1 1 294.483 3.044 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](C[C@@H](O)CCCCCCC=C)C1 ZINC001253241002 806193015 /nfs/dbraw/zinc/19/30/15/806193015.db2.gz QNWMGERXFZLXDM-SJORKVTESA-N 1 1 263.425 3.219 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)C[C@@H](C)CC)CC1 ZINC001159933517 806201437 /nfs/dbraw/zinc/20/14/37/806201437.db2.gz DOJOVLIMFXPJED-HNNXBMFYSA-N 1 1 278.440 3.137 20 30 CGEDMO COc1ccc(C)[nH+]c1N[C@@H]1CCc2c1cccc2C#N ZINC001159914329 806198175 /nfs/dbraw/zinc/19/81/75/806198175.db2.gz KQLKEHCGYHJRHI-OAHLLOKOSA-N 1 1 279.343 3.370 20 30 CGEDMO N#CCC[N@@H+](C[C@H](O)c1ccc(F)c(F)c1)C1CCCC1 ZINC001253355856 806208639 /nfs/dbraw/zinc/20/86/39/806208639.db2.gz FGEMJIXRSWDOSZ-INIZCTEOSA-N 1 1 294.345 3.156 20 30 CGEDMO N#CCC[N@H+](C[C@H](O)c1ccc(F)c(F)c1)C1CCCC1 ZINC001253355856 806208646 /nfs/dbraw/zinc/20/86/46/806208646.db2.gz FGEMJIXRSWDOSZ-INIZCTEOSA-N 1 1 294.345 3.156 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)C(C)(C)C(C)C)CC1 ZINC001160235871 806239124 /nfs/dbraw/zinc/23/91/24/806239124.db2.gz MGNSUBDZYQUNFV-UHFFFAOYSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CC(C)(C)CC(=O)NCCC1=CC[N@@H+](CCC)CC1 ZINC001160253350 806242272 /nfs/dbraw/zinc/24/22/72/806242272.db2.gz QTAKOLNUGQMULD-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO Cc1[nH+]c(NCCOC2CCCCC2)ccc1CC#N ZINC001160281716 806249208 /nfs/dbraw/zinc/24/92/08/806249208.db2.gz RMLSFRLSGWTFIB-UHFFFAOYSA-N 1 1 273.380 3.217 20 30 CGEDMO C#CC[N@H+](CCOc1ccc(SC)cc1)CC1CC1 ZINC001253562861 806260032 /nfs/dbraw/zinc/26/00/32/806260032.db2.gz GUOKWIAUZLPRLV-UHFFFAOYSA-N 1 1 275.417 3.133 20 30 CGEDMO C=C[C@H](O)C[N@H+]1CCC[C@@H]1c1ccccc1Br ZINC001253567354 806261335 /nfs/dbraw/zinc/26/13/35/806261335.db2.gz NBPJEEVSJMZDSW-SMDDNHRTSA-N 1 1 296.208 3.133 20 30 CGEDMO C=C[C@H](O)C[N@@H+]1CCC[C@@H](Oc2cc(C)ccc2Cl)C1 ZINC001253582317 806263953 /nfs/dbraw/zinc/26/39/53/806263953.db2.gz NPEWSEXISIEFSN-UONOGXRCSA-N 1 1 295.810 3.039 20 30 CGEDMO C=C[C@H](O)C[N@H+](C)Cc1ccccc1Oc1ccccc1 ZINC001253585687 806265292 /nfs/dbraw/zinc/26/52/92/806265292.db2.gz YSKVVPUARFCTBB-INIZCTEOSA-N 1 1 283.371 3.458 20 30 CGEDMO C=C[C@@H](O)C[N@H+](C)Cc1cccc(Oc2ccccc2)c1 ZINC001253586855 806265730 /nfs/dbraw/zinc/26/57/30/806265730.db2.gz TUEKVJNLGLUVPR-MRXNPFEDSA-N 1 1 283.371 3.458 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)C[C@H](O)C(C)(C)C ZINC001253724755 806286580 /nfs/dbraw/zinc/28/65/80/806286580.db2.gz NPUVAMKMNOQDBB-INIZCTEOSA-N 1 1 261.409 3.472 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CCNC(=O)CC2(C)CC2)CC1 ZINC001160707189 806296849 /nfs/dbraw/zinc/29/68/49/806296849.db2.gz HSRGHVYIHWGWAB-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO COCC#CC[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC001253793821 806311260 /nfs/dbraw/zinc/31/12/60/806311260.db2.gz BQCUVQDXPFBOKW-HNNXBMFYSA-N 1 1 263.768 3.127 20 30 CGEDMO COCC#CC[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC001253793821 806311269 /nfs/dbraw/zinc/31/12/69/806311269.db2.gz BQCUVQDXPFBOKW-HNNXBMFYSA-N 1 1 263.768 3.127 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCCC1=CC[N@@H+](CC2CC2)CC1 ZINC001160856791 806311106 /nfs/dbraw/zinc/31/11/06/806311106.db2.gz QNOMCSULROQNKT-UHFFFAOYSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1CNc1cc2ccccc2cn1 ZINC001160952887 806326999 /nfs/dbraw/zinc/32/69/99/806326999.db2.gz GXMZGXMHJGYXFU-INIZCTEOSA-N 1 1 267.376 3.297 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1CNc1ccc(-c2ccncc2)cn1 ZINC001160953482 806327955 /nfs/dbraw/zinc/32/79/55/806327955.db2.gz BTWCRAWEGYQUSC-KRWDZBQOSA-N 1 1 294.402 3.206 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1ccc2cc(OC)ccc2n1 ZINC001160953143 806329572 /nfs/dbraw/zinc/32/95/72/806329572.db2.gz SWQPQXPEVSHTPQ-HNNXBMFYSA-N 1 1 297.402 3.306 20 30 CGEDMO C#CC[N@H+](Cc1ccc(N2CCCC2)cc1)CC1CC1 ZINC001254039951 806334051 /nfs/dbraw/zinc/33/40/51/806334051.db2.gz LCWNUWATFFJFHF-UHFFFAOYSA-N 1 1 268.404 3.132 20 30 CGEDMO C=CCOC(=O)[C@@H]([NH2+]C1CCC2(CC2)CC1)[C@@H](C)CC ZINC001254434952 806396527 /nfs/dbraw/zinc/39/65/27/806396527.db2.gz ZAOXJVHZWZXAMJ-ZFWWWQNUSA-N 1 1 279.424 3.443 20 30 CGEDMO N#Cc1cc(NCc2[nH+]cn3ccccc23)nc2ccccc12 ZINC001161686069 806419105 /nfs/dbraw/zinc/41/91/05/806419105.db2.gz TUFJBIXUPXKPSO-UHFFFAOYSA-N 1 1 299.337 3.366 20 30 CGEDMO C=CC[N@H+](C1CCCCC1)[C@@H]1CCCN(C)CC1 ZINC001254531981 806445081 /nfs/dbraw/zinc/44/50/81/806445081.db2.gz OCRFPRCLLKTNIU-MRXNPFEDSA-N 1 1 250.430 3.291 20 30 CGEDMO C=CC[N@@H+](C1CCCCC1)[C@@H]1CCCN(C)CC1 ZINC001254531981 806445086 /nfs/dbraw/zinc/44/50/86/806445086.db2.gz OCRFPRCLLKTNIU-MRXNPFEDSA-N 1 1 250.430 3.291 20 30 CGEDMO N#C[C@@H]1CC[C@H]([NH2+]Cc2c(F)ccc(F)c2Cl)C1 ZINC001254637464 806467163 /nfs/dbraw/zinc/46/71/63/806467163.db2.gz QWUCMCCZHAJXAH-BDAKNGLRSA-N 1 1 270.710 3.400 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC001254645527 806469804 /nfs/dbraw/zinc/46/98/04/806469804.db2.gz NCVZAGXMFJPFCP-OAHLLOKOSA-N 1 1 268.360 3.012 20 30 CGEDMO N#C[C@H]1CC[C@H]([NH2+]Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC001254657839 806476950 /nfs/dbraw/zinc/47/69/50/806476950.db2.gz RNZKBUDRHDCBEJ-FZMZJTMJSA-N 1 1 285.322 3.263 20 30 CGEDMO COc1cccc(-c2nc(C[NH2+][C@H]3CC[C@@H](C#N)C3)co2)c1 ZINC001254659014 806478292 /nfs/dbraw/zinc/47/82/92/806478292.db2.gz YQISPMOFHYRNKV-OCCSQVGLSA-N 1 1 297.358 3.132 20 30 CGEDMO C[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C#N)C2)[C@@H](C)CN1Cc1ccccc1 ZINC001254660724 806478323 /nfs/dbraw/zinc/47/83/23/806478323.db2.gz LHOJKZMQEVSADS-JFRXWTBNSA-N 1 1 297.446 3.273 20 30 CGEDMO C[C@@H]1CN([C@H]2CC[C@@H](C#N)C2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC001254660724 806478324 /nfs/dbraw/zinc/47/83/24/806478324.db2.gz LHOJKZMQEVSADS-JFRXWTBNSA-N 1 1 297.446 3.273 20 30 CGEDMO C[C@@H]1CN([C@H]2CC[C@@H](C#N)C2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001254660724 806478330 /nfs/dbraw/zinc/47/83/30/806478330.db2.gz LHOJKZMQEVSADS-JFRXWTBNSA-N 1 1 297.446 3.273 20 30 CGEDMO CC[N@@H+]([C@H]1CC[C@@H](C#N)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001254670385 806481269 /nfs/dbraw/zinc/48/12/69/806481269.db2.gz JAVFMNOFQWTBKR-QYZOEREBSA-N 1 1 297.446 3.275 20 30 CGEDMO CCN([C@H]1CC[C@@H](C#N)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001254670385 806481274 /nfs/dbraw/zinc/48/12/74/806481274.db2.gz JAVFMNOFQWTBKR-QYZOEREBSA-N 1 1 297.446 3.275 20 30 CGEDMO CCN([C@H]1CC[C@@H](C#N)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001254670385 806481279 /nfs/dbraw/zinc/48/12/79/806481279.db2.gz JAVFMNOFQWTBKR-QYZOEREBSA-N 1 1 297.446 3.275 20 30 CGEDMO CN1CCC([N@@H+](C2CCCC2)[C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254680765 806485381 /nfs/dbraw/zinc/48/53/81/806485381.db2.gz ZWAJHBMKMAGIMB-RHSMWYFYSA-N 1 1 275.440 3.017 20 30 CGEDMO CC[C@](C)(C#N)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255128053 806549692 /nfs/dbraw/zinc/54/96/92/806549692.db2.gz JOTRYFRQADDTSS-AKHDSKFASA-N 1 1 297.446 3.464 20 30 CGEDMO CC[C@@](C)(C#N)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255128056 806550576 /nfs/dbraw/zinc/55/05/76/806550576.db2.gz JOTRYFRQADDTSS-RDGPPVDQSA-N 1 1 297.446 3.464 20 30 CGEDMO CC[C@H](CC#N)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255130213 806550587 /nfs/dbraw/zinc/55/05/87/806550587.db2.gz RZNDTNBTNLKFRV-MKXGPGLRSA-N 1 1 297.446 3.464 20 30 CGEDMO C[N@H+]1CCC[C@](C)(Nc2nc(C#N)c(Cl)cc2Cl)C1 ZINC001162340489 806558202 /nfs/dbraw/zinc/55/82/02/806558202.db2.gz ULCVGPQKWZIORZ-ZDUSSCGKSA-N 1 1 299.205 3.156 20 30 CGEDMO CC[C@@H](CC#N)[N@@H+]1CC[C@H](Oc2ccccc2C)C1 ZINC001255172340 806564681 /nfs/dbraw/zinc/56/46/81/806564681.db2.gz NNSMDKSOGZBEFL-GJZGRUSLSA-N 1 1 258.365 3.140 20 30 CGEDMO CC[C@@H](CC#N)[N@H+]1CC[C@H](Oc2ccccc2C)C1 ZINC001255172340 806564687 /nfs/dbraw/zinc/56/46/87/806564687.db2.gz NNSMDKSOGZBEFL-GJZGRUSLSA-N 1 1 258.365 3.140 20 30 CGEDMO CC[C@@H](CC#N)[N@@H+]1CCCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001255166438 806565051 /nfs/dbraw/zinc/56/50/51/806565051.db2.gz KWOFKVBCCOWBOG-KBPBESRZSA-N 1 1 295.427 3.058 20 30 CGEDMO CC[C@@H](CC#N)[N@H+]1CCCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001255166438 806565057 /nfs/dbraw/zinc/56/50/57/806565057.db2.gz KWOFKVBCCOWBOG-KBPBESRZSA-N 1 1 295.427 3.058 20 30 CGEDMO CC[C@@H](CC#N)[N@@H+]1CCCN(c2ccc(F)cc2)CC1 ZINC001255176627 806570314 /nfs/dbraw/zinc/57/03/14/806570314.db2.gz CTCYNIVGZWYXFA-HNNXBMFYSA-N 1 1 275.371 3.030 20 30 CGEDMO CC[C@@H](CC#N)[N@H+]1CCCN(c2ccc(F)cc2)CC1 ZINC001255176627 806570317 /nfs/dbraw/zinc/57/03/17/806570317.db2.gz CTCYNIVGZWYXFA-HNNXBMFYSA-N 1 1 275.371 3.030 20 30 CGEDMO CC[N@@H+](CCNc1ncc(C#N)c2ccsc21)C(C)C ZINC001162389781 806573660 /nfs/dbraw/zinc/57/36/60/806573660.db2.gz CCTOERDHLCIBBH-UHFFFAOYSA-N 1 1 288.420 3.310 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H]1CCC[C@H](C(=O)OCC)C1 ZINC001255368701 806627287 /nfs/dbraw/zinc/62/72/87/806627287.db2.gz HEEKVRVEQTZULD-KBPBESRZSA-N 1 1 253.386 3.006 20 30 CGEDMO CC[C@H](CC#N)N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255388791 806629692 /nfs/dbraw/zinc/62/96/92/806629692.db2.gz HTFFGBCVSOYUCQ-MSOLQXFVSA-N 1 1 285.435 3.323 20 30 CGEDMO Cc1ccc(CC#N)c(NC2(Cc3ccc(O)cc3)CC2)[nH+]1 ZINC001162735728 806655225 /nfs/dbraw/zinc/65/52/25/806655225.db2.gz IQFAEGJPANZENL-UHFFFAOYSA-N 1 1 293.370 3.349 20 30 CGEDMO C[C@@H](CC(F)(F)F)[N@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001255646377 806693210 /nfs/dbraw/zinc/69/32/10/806693210.db2.gz NQQOZKXNMSSAGA-XLPZGREQSA-N 1 1 281.215 3.407 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(OC)cc1 ZINC000218337153 799135808 /nfs/dbraw/zinc/13/58/08/799135808.db2.gz HQHBUCJOWUIVFS-UHFFFAOYSA-N 1 1 265.356 3.331 20 30 CGEDMO C=C(Br)C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000307267745 799215646 /nfs/dbraw/zinc/21/56/46/799215646.db2.gz FEBDWUHQLYMBMT-NWDGAFQWSA-N 1 1 258.203 3.407 20 30 CGEDMO CCOc1cc(C[NH2+]CCC#N)ccc1OCC(C)C ZINC000345296703 799295651 /nfs/dbraw/zinc/29/56/51/799295651.db2.gz MHNXCGQSNOLCTR-UHFFFAOYSA-N 1 1 276.380 3.123 20 30 CGEDMO Cc1ccc(SC[C@H](C)[N@@H+]2CC[C@H](C#N)C2)cc1 ZINC001255769469 806743237 /nfs/dbraw/zinc/74/32/37/806743237.db2.gz HKLZXBLQMNLNQY-UONOGXRCSA-N 1 1 260.406 3.321 20 30 CGEDMO Cc1ccc(SC[C@H](C)[N@H+]2CC[C@H](C#N)C2)cc1 ZINC001255769469 806743241 /nfs/dbraw/zinc/74/32/41/806743241.db2.gz HKLZXBLQMNLNQY-UONOGXRCSA-N 1 1 260.406 3.321 20 30 CGEDMO C#C[C@H]([NH2+]Cc1ccsc1Br)C(C)C ZINC000388881696 799456584 /nfs/dbraw/zinc/45/65/84/799456584.db2.gz IRBWTKBHRMOJGA-JTQLQIEISA-N 1 1 272.211 3.258 20 30 CGEDMO CC[C@H]1CCCCC[N@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC000402209691 799561344 /nfs/dbraw/zinc/56/13/44/799561344.db2.gz LZWGIFSTJZTDSW-IRXDYDNUSA-N 1 1 272.392 3.246 20 30 CGEDMO CCCCCCCC[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000404027901 799573570 /nfs/dbraw/zinc/57/35/70/799573570.db2.gz RUZHBJAHIXZRCM-ZDUSSCGKSA-N 1 1 263.372 3.296 20 30 CGEDMO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC2(C#N)CCCC2)c1 ZINC000405135182 799581657 /nfs/dbraw/zinc/58/16/57/799581657.db2.gz ANVZECJLKYVOJI-CYBMUJFWSA-N 1 1 285.391 3.380 20 30 CGEDMO COc1ccccc1-c1ccc(C[NH2+]CCC#N)cc1 ZINC000425975218 799603531 /nfs/dbraw/zinc/60/35/31/799603531.db2.gz DFXAARVWMKDQGD-UHFFFAOYSA-N 1 1 266.344 3.365 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@H]1CN1CCCC(C)(C)[C@@H]1C#N ZINC000450853832 799625717 /nfs/dbraw/zinc/62/57/17/799625717.db2.gz CESPECZBPAMWKL-HOTGVXAUSA-N 1 1 277.456 3.263 20 30 CGEDMO C[C@H](Cc1ccccc1F)[N@H+]1CCC[C@@H](CC#N)C1 ZINC001255851835 806768776 /nfs/dbraw/zinc/76/87/76/806768776.db2.gz XNNLIKLKLMCTIG-KGLIPLIRSA-N 1 1 260.356 3.382 20 30 CGEDMO CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000687213072 799737515 /nfs/dbraw/zinc/73/75/15/799737515.db2.gz SYINKKMRFYVEEE-BXUZGUMPSA-N 1 1 278.783 3.211 20 30 CGEDMO C=C(Br)C[NH2+]Cc1ccc(Cl)c(OC)c1 ZINC000703635717 799926738 /nfs/dbraw/zinc/92/67/38/799926738.db2.gz HXWWVBVBPNJEBR-UHFFFAOYSA-N 1 1 290.588 3.347 20 30 CGEDMO CCC[N@H+](CCC#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001255914689 806788985 /nfs/dbraw/zinc/78/89/85/806788985.db2.gz KIIVIMCYIHLZAW-CQSZACIVSA-N 1 1 295.427 3.012 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001255914689 806788991 /nfs/dbraw/zinc/78/89/91/806788991.db2.gz KIIVIMCYIHLZAW-CQSZACIVSA-N 1 1 295.427 3.012 20 30 CGEDMO CS[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2F)C1 ZINC000708302692 799985517 /nfs/dbraw/zinc/98/55/17/799985517.db2.gz OSJYMCOADMPQPH-KBPBESRZSA-N 1 1 278.396 3.413 20 30 CGEDMO COc1ccc(N=NC(C)C[NH+]2Cc3ccccc3C2)cc1 ZINC000792635609 800391606 /nfs/dbraw/zinc/39/16/06/800391606.db2.gz SVDNSHIJWVZJFJ-UHFFFAOYSA-N 1 1 295.386 3.499 20 30 CGEDMO C[C@H](CNc1nc(Cl)c(C#N)s1)[N@H+]1CCCC[C@H]1C ZINC000804349125 800396992 /nfs/dbraw/zinc/39/69/92/800396992.db2.gz JAKMGOWLIXDUHA-NXEZZACHSA-N 1 1 298.843 3.343 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](CCOc2ccc(F)c(Cl)c2)C1 ZINC000930923061 800652267 /nfs/dbraw/zinc/65/22/67/800652267.db2.gz GLHBETLOUYFRPG-GFCCVEGCSA-N 1 1 296.773 3.484 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@H]1CC2(CCC2)CO1 ZINC000933771125 800675827 /nfs/dbraw/zinc/67/58/27/800675827.db2.gz VTMFKAWEXXIZAQ-CYBMUJFWSA-N 1 1 276.405 3.011 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1nc(-c2ccccc2F)no1 ZINC000934460018 800678860 /nfs/dbraw/zinc/67/88/60/800678860.db2.gz GRHABSIBQWCQNQ-LLVKDONJSA-N 1 1 273.311 3.026 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1nc(-c2ccccc2F)no1 ZINC000934460018 800678864 /nfs/dbraw/zinc/67/88/64/800678864.db2.gz GRHABSIBQWCQNQ-LLVKDONJSA-N 1 1 273.311 3.026 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccsc2Cl)C1 ZINC001008758858 800699382 /nfs/dbraw/zinc/69/93/82/800699382.db2.gz AGTZRNGMQCXOIY-NSHDSACASA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC2(C)C)C1 ZINC001023535100 800712030 /nfs/dbraw/zinc/71/20/30/800712030.db2.gz GIDJXEBPVNNHAO-KBPBESRZSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC2(C)C)C1 ZINC001023535100 800712032 /nfs/dbraw/zinc/71/20/32/800712032.db2.gz GIDJXEBPVNNHAO-KBPBESRZSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001023575721 800713970 /nfs/dbraw/zinc/71/39/70/800713970.db2.gz ZLEHYEXGNHROJW-HOTGVXAUSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001023713083 800715850 /nfs/dbraw/zinc/71/58/50/800715850.db2.gz VRFUXHLKPNCQHM-ULQDDVLXSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)c1coc(C)c1 ZINC001024409407 800726680 /nfs/dbraw/zinc/72/66/80/800726680.db2.gz QHINLIOKZFSAEQ-INIZCTEOSA-N 1 1 290.407 3.139 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC12CC2 ZINC001024503607 800729849 /nfs/dbraw/zinc/72/98/49/800729849.db2.gz ADTOQOJSRANJJK-CVEARBPZSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC=CCCC1 ZINC001024506991 800730674 /nfs/dbraw/zinc/73/06/74/800730674.db2.gz QORGDGOVZACHPA-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)C1CC2(CC2)C1 ZINC001024645090 800733111 /nfs/dbraw/zinc/73/31/11/800733111.db2.gz DKFMACRLRAXFCY-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001024642088 800733967 /nfs/dbraw/zinc/73/39/67/800733967.db2.gz QCNPZDBPWMLLNC-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC12CCC2 ZINC001024683024 800735333 /nfs/dbraw/zinc/73/53/33/800735333.db2.gz LSSSIVTZZAMTBB-HZPDHXFCSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(CC)CC ZINC001025199648 800747997 /nfs/dbraw/zinc/74/79/97/800747997.db2.gz YALLGPYTTHYPSY-SJORKVTESA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C=C(C)C ZINC001025196436 800748342 /nfs/dbraw/zinc/74/83/42/800748342.db2.gz VEOFFUCOAKNFKA-IRXDYDNUSA-N 1 1 290.451 3.374 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C=C1CCC1 ZINC001025217750 800750214 /nfs/dbraw/zinc/75/02/14/800750214.db2.gz FOSAIFJKIOPCJS-DLBZAZTESA-N 1 1 288.435 3.128 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC1CCC1 ZINC001025214700 800750604 /nfs/dbraw/zinc/75/06/04/800750604.db2.gz DFGVSRKMDXNFJY-DLBZAZTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCCC[C@H]1[C@H]1CCC[N@@H+]1CC ZINC001025259773 800752218 /nfs/dbraw/zinc/75/22/18/800752218.db2.gz SSSUAPXMJRUWRN-CVEARBPZSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2CCCCCC2)C1 ZINC001025362483 800759198 /nfs/dbraw/zinc/75/91/98/800759198.db2.gz XKYKOJSJGSWBAO-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)CC2(C)CCCC2)C1 ZINC001027397338 800792821 /nfs/dbraw/zinc/79/28/21/800792821.db2.gz XQJCLTRKPCONNZ-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)C2CC(C)(C)C2)C1 ZINC001027396107 800793846 /nfs/dbraw/zinc/79/38/46/800793846.db2.gz QJZYHHNOYXBOFP-AWEZNQCLSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)C2CC(C)(C)C2)C1 ZINC001027396107 800793851 /nfs/dbraw/zinc/79/38/51/800793851.db2.gz QJZYHHNOYXBOFP-AWEZNQCLSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@]2(C)C=CCC2)C1 ZINC001027531995 800801330 /nfs/dbraw/zinc/80/13/30/800801330.db2.gz UETBVFSBBGOYPT-GOEBONIOSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@]2(C)C=CCC2)C1 ZINC001027531995 800801333 /nfs/dbraw/zinc/80/13/33/800801333.db2.gz UETBVFSBBGOYPT-GOEBONIOSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)C(C)(C)C2CC2)C1 ZINC001027538988 800802515 /nfs/dbraw/zinc/80/25/15/800802515.db2.gz JIFLNVKYYWCCAQ-AWEZNQCLSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)C2CC2)C1 ZINC001027538988 800802523 /nfs/dbraw/zinc/80/25/23/800802523.db2.gz JIFLNVKYYWCCAQ-AWEZNQCLSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C2CCC(=C)CC2)C1 ZINC001027557578 800803821 /nfs/dbraw/zinc/80/38/21/800803821.db2.gz AGNFCBUDMQOGLZ-QGZVFWFLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]([N@@H+](C)CCC2CC2)C1 ZINC001027560039 800803979 /nfs/dbraw/zinc/80/39/79/800803979.db2.gz OHGKIYGZBIJKEB-WMZOPIPTSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2cccc(C)c2C)C1 ZINC001027668371 800809753 /nfs/dbraw/zinc/80/97/53/800809753.db2.gz KLOCTZDBPJUWHR-INIZCTEOSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)C[C@@H](C)C2CC2)C1 ZINC001027694780 800811385 /nfs/dbraw/zinc/81/13/85/800811385.db2.gz BXXSUZSNUGWVSL-DOMZBBRYSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)C[C@@H](C)C2CC2)C1 ZINC001027694780 800811392 /nfs/dbraw/zinc/81/13/92/800811392.db2.gz BXXSUZSNUGWVSL-DOMZBBRYSA-N 1 1 298.858 3.098 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC2(CC2)C1 ZINC001027882462 800823073 /nfs/dbraw/zinc/82/30/73/800823073.db2.gz OTBQKAPDTMIINW-HOTGVXAUSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CC=C(C)C)CC1 ZINC001028117986 800831653 /nfs/dbraw/zinc/83/16/53/800831653.db2.gz VGIUONKOORUEDE-QGZVFWFLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)C=CCC2 ZINC001028195977 800836853 /nfs/dbraw/zinc/83/68/53/800836853.db2.gz ZNYFEUYUDXXYRT-GOSISDBHSA-N 1 1 296.414 3.026 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C2CC2)cc1 ZINC001028329193 800843351 /nfs/dbraw/zinc/84/33/51/800843351.db2.gz HZBODUYJXHFIRG-GOSISDBHSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)C1CC(C(C)(C)C)C1 ZINC001028341485 800845185 /nfs/dbraw/zinc/84/51/85/800845185.db2.gz LWOBQWMFHMUILM-UYSNPLJNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=Cc1ccc(C(=O)NC[C@H]2CC[N@H+](CCC(=C)C)C2)cc1 ZINC001028822477 800854994 /nfs/dbraw/zinc/85/49/94/800854994.db2.gz VUZJWQHSQXZXOS-QGZVFWFLSA-N 1 1 298.430 3.348 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC ZINC001029419882 800868015 /nfs/dbraw/zinc/86/80/15/800868015.db2.gz MMXBLBLWWJQCQK-GASCZTMLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)c2ccc(C)c(Cl)c2)C1 ZINC001030889738 800900415 /nfs/dbraw/zinc/90/04/15/800900415.db2.gz OUUJJUSXQFWVGB-UHFFFAOYSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC=C(C)C ZINC001032423094 800928527 /nfs/dbraw/zinc/92/85/27/800928527.db2.gz VJWMLSWOWKKPBV-KBPBESRZSA-N 1 1 296.842 3.016 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC=C(C)C ZINC001032423094 800928533 /nfs/dbraw/zinc/92/85/33/800928533.db2.gz VJWMLSWOWKKPBV-KBPBESRZSA-N 1 1 296.842 3.016 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)CC1CCCC1 ZINC001032661084 800931703 /nfs/dbraw/zinc/93/17/03/800931703.db2.gz PVQOGSWHTIYGQL-XIRDDKMYSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC(CC)CC ZINC001032606686 800932433 /nfs/dbraw/zinc/93/24/33/800932433.db2.gz YVMRTQKWCIBXTA-BQFCYCMXSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(C)C)cc1 ZINC001032748725 800933608 /nfs/dbraw/zinc/93/36/08/800933608.db2.gz CRBBOZXPEMJEBH-ROUUACIJSA-N 1 1 298.430 3.285 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C(C)C)cc1 ZINC001032748725 800933613 /nfs/dbraw/zinc/93/36/13/800933613.db2.gz CRBBOZXPEMJEBH-ROUUACIJSA-N 1 1 298.430 3.285 20 30 CGEDMO C=Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](CCC(=C)C)C2)cc1 ZINC001033443442 800963677 /nfs/dbraw/zinc/96/36/77/800963677.db2.gz OAUNSNNSDOVTNI-SFHVURJKSA-N 1 1 298.430 3.442 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3ccccc3c2)C1 ZINC001033610826 800971593 /nfs/dbraw/zinc/97/15/93/800971593.db2.gz DNMPKQUIIVIFDK-GOSISDBHSA-N 1 1 294.398 3.172 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2c(C)csc2Cl)C1 ZINC001033613832 800972431 /nfs/dbraw/zinc/97/24/31/800972431.db2.gz ODRDQVUZWDZOCB-LLVKDONJSA-N 1 1 298.839 3.042 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc3cccc(C)c3o2)C1 ZINC001033687020 800972954 /nfs/dbraw/zinc/97/29/54/800972954.db2.gz WKQJCIPOFAKRQB-HNNXBMFYSA-N 1 1 298.386 3.074 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)C2CCC(C)(C)CC2)C1 ZINC001033694834 800975377 /nfs/dbraw/zinc/97/53/77/800975377.db2.gz UAICZVJCGRFZCL-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001033695988 800975668 /nfs/dbraw/zinc/97/56/68/800975668.db2.gz GFNGYOMQUOWGAH-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)C2CCCCCC2)C1 ZINC001033774782 800982934 /nfs/dbraw/zinc/98/29/34/800982934.db2.gz RTGZMVQQFHBGET-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC23CCCC3)C1 ZINC001034016502 800993063 /nfs/dbraw/zinc/99/30/63/800993063.db2.gz IJLYADIFGHATRP-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001034051175 800997558 /nfs/dbraw/zinc/99/75/58/800997558.db2.gz TXTNZTXCLFUVNC-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2sc(C)cc2C)C1 ZINC001034230621 801013433 /nfs/dbraw/zinc/01/34/33/801013433.db2.gz RXGCDKZRWVJOMX-CQSZACIVSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CC[N@H+]1CCCC[C@H](NC(=O)C2(C3CCC3)CCC2)C1 ZINC001034334283 801018004 /nfs/dbraw/zinc/01/80/04/801018004.db2.gz MIOJKMHMWPTMEX-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@H+]1CCCC[C@@H](NC(=O)c2ccc(C=C)cc2)C1 ZINC001034420510 801026649 /nfs/dbraw/zinc/02/66/49/801026649.db2.gz UMLMJIFTGKTVQW-QGZVFWFLSA-N 1 1 284.403 3.100 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001034543665 801032098 /nfs/dbraw/zinc/03/20/98/801032098.db2.gz IQEHSOZHPVPOOK-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)C3CCCCC3)CC[C@H]21 ZINC001036628415 801084407 /nfs/dbraw/zinc/08/44/07/801084407.db2.gz AMSQPWYPRXJYNE-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccccc3C)CC[C@@H]21 ZINC001036632682 801085254 /nfs/dbraw/zinc/08/52/54/801085254.db2.gz QKZOZFCMXOCZNL-WMZOPIPTSA-N 1 1 298.430 3.108 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CC(C)C)C1 ZINC001036791755 801089634 /nfs/dbraw/zinc/08/96/34/801089634.db2.gz DHKFCDYOADZLAT-CVEARBPZSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(C)cc3C)CC[C@H]21 ZINC001036884940 801092304 /nfs/dbraw/zinc/09/23/04/801092304.db2.gz CLYXJGPHCKGMIM-FUHWJXTLSA-N 1 1 298.430 3.026 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C=C)cc3)CC[C@H]21 ZINC001036824660 801093141 /nfs/dbraw/zinc/09/31/41/801093141.db2.gz ASCSFQSKMGNDCA-QZTJIDSGSA-N 1 1 296.414 3.052 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCC=CCCC1 ZINC001038402535 801125191 /nfs/dbraw/zinc/12/51/91/801125191.db2.gz NOWSUVZCEVMBSK-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(C)c1Cl ZINC001038828190 801133721 /nfs/dbraw/zinc/13/37/21/801133721.db2.gz YCBKLHGIFBROBF-CYBMUJFWSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)C=CCC2 ZINC001038800756 801134189 /nfs/dbraw/zinc/13/41/89/801134189.db2.gz AKUUXYKZIHYJNJ-SFHVURJKSA-N 1 1 296.414 3.026 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(C(C)C)c1 ZINC001038880512 801134725 /nfs/dbraw/zinc/13/47/25/801134725.db2.gz GHXWCWHTWNQLGK-KRWDZBQOSA-N 1 1 286.419 3.190 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(Cl)c1 ZINC001038945945 801137522 /nfs/dbraw/zinc/13/75/22/801137522.db2.gz WJTPTKZXBQMWHG-HNNXBMFYSA-N 1 1 292.810 3.110 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]1CNC(=O)c1cccc2ccccc21 ZINC001038991185 801140228 /nfs/dbraw/zinc/14/02/28/801140228.db2.gz YPDCQCKCZSPZFO-MRXNPFEDSA-N 1 1 294.398 3.220 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1oc2ccccc2c1C ZINC001038997666 801142088 /nfs/dbraw/zinc/14/20/88/801142088.db2.gz SDDVHNYPXYZWSY-CQSZACIVSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)/C(C)=C/C)C1 ZINC001039204168 801153272 /nfs/dbraw/zinc/15/32/72/801153272.db2.gz VGAOYXUQRDNYOU-DJKUPCSYSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(=C)C ZINC001039896068 801168590 /nfs/dbraw/zinc/16/85/90/801168590.db2.gz DDCTWZQXUYSQNI-JZXOWHBKSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(=C)C ZINC001039896068 801168591 /nfs/dbraw/zinc/16/85/91/801168591.db2.gz DDCTWZQXUYSQNI-JZXOWHBKSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@]2(CCN(C(=O)C3CCC3)C2)C1 ZINC001040035954 801169735 /nfs/dbraw/zinc/16/97/35/801169735.db2.gz ZIAWRZZIYJDDCQ-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)CCC3CCCC3)C[C@H]21 ZINC001041915985 801196497 /nfs/dbraw/zinc/19/64/97/801196497.db2.gz JQUVBRYFDNLRPN-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)CCC3CCCC3)C[C@@H]21 ZINC001041915987 801197276 /nfs/dbraw/zinc/19/72/76/801197276.db2.gz JQUVBRYFDNLRPN-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CCN(C(=O)c3ccc(C=C)cc3)C[C@@H]21 ZINC001042241314 801203920 /nfs/dbraw/zinc/20/39/20/801203920.db2.gz WGSZWCQXEFCLCB-WMZOPIPTSA-N 1 1 296.414 3.052 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(F)=C(C)C)C2 ZINC001045927837 801293740 /nfs/dbraw/zinc/29/37/40/801293740.db2.gz NCQOMGSYPKMPEV-QGZVFWFLSA-N 1 1 294.414 3.140 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)/C(C)=C\C)C2 ZINC001045929715 801294515 /nfs/dbraw/zinc/29/45/15/801294515.db2.gz GLHBOQNFEJFANM-UUGSPAKMSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(Cl)cc2C)C1 ZINC001046590831 801315734 /nfs/dbraw/zinc/31/57/34/801315734.db2.gz RGFJZHBSEHWDJW-MRXNPFEDSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C1CCC(C(=O)N[C@@]2(C)CC[N@H+](C[C@@H](F)CC)C2)CC1 ZINC001046594936 801316603 /nfs/dbraw/zinc/31/66/03/801316603.db2.gz SHDMSBFWMXMGBZ-RDJZCZTQSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)c2ccoc2CCC)C1 ZINC001046767552 801322529 /nfs/dbraw/zinc/32/25/29/801322529.db2.gz OCENVMIGOMPBKV-KRWDZBQOSA-N 1 1 290.407 3.002 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001046788388 801322663 /nfs/dbraw/zinc/32/26/63/801322663.db2.gz CHUDJOYJAVYDDP-BQFCYCMXSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)c2cccc(C(F)F)c2)C1 ZINC001046783663 801324050 /nfs/dbraw/zinc/32/40/50/801324050.db2.gz FYXKCVJRBGXQSM-INIZCTEOSA-N 1 1 294.345 3.004 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2cccc(C)c2C)C1 ZINC001046812668 801326510 /nfs/dbraw/zinc/32/65/10/801326510.db2.gz OUQMZNFHZIOINP-SFHVURJKSA-N 1 1 286.419 3.074 20 30 CGEDMO CC#CC[N@H+]1CC[C@@](C)(NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001046794345 801326654 /nfs/dbraw/zinc/32/66/54/801326654.db2.gz RFVUSOUYUFAVSX-LJQANCHMSA-N 1 1 298.430 3.028 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CCCCC1 ZINC001049298993 801360336 /nfs/dbraw/zinc/36/03/36/801360336.db2.gz PRRZQFGMZFYTKD-SJORKVTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cccs1 ZINC001049303866 801362393 /nfs/dbraw/zinc/36/23/93/801362393.db2.gz WGWPDLZQWGPOFC-KBPBESRZSA-N 1 1 290.432 3.003 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC1CCC1 ZINC001049403186 801368876 /nfs/dbraw/zinc/36/88/76/801368876.db2.gz XXOFREGZJNPTEM-DLBZAZTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC1(C)CCCC1 ZINC001049462670 801373593 /nfs/dbraw/zinc/37/35/93/801373593.db2.gz VVZJCJJAADLOHI-HZPDHXFCSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCCF ZINC001049634224 801379839 /nfs/dbraw/zinc/37/98/39/801379839.db2.gz PNPWVZQANTVORY-HUUCEWRRSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1(C(C)C)CC1 ZINC001049705100 801387091 /nfs/dbraw/zinc/38/70/91/801387091.db2.gz CVYGICJWFBXTPJ-HOTGVXAUSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1cc(C)ccc1C ZINC001049862554 801390683 /nfs/dbraw/zinc/39/06/83/801390683.db2.gz IOFQQVCTLHCQGU-ROUUACIJSA-N 1 1 298.430 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(CC)CC ZINC001049904978 801392764 /nfs/dbraw/zinc/39/27/64/801392764.db2.gz UVGZVTGJCADJJE-LSDHHAIUSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccsc2C)CC1 ZINC001052360882 801432570 /nfs/dbraw/zinc/43/25/70/801432570.db2.gz UFHAPWOMCRSBBR-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@]2(C)CC=CCC2)CC1 ZINC001052412406 801433843 /nfs/dbraw/zinc/43/38/43/801433843.db2.gz VHPWCELZZINQKT-WMZOPIPTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC2(C)C)CC1 ZINC001052641433 801443358 /nfs/dbraw/zinc/44/33/58/801443358.db2.gz PHJRXMXJLBXMQG-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2csc(C)c2)CC1 ZINC001052792147 801452038 /nfs/dbraw/zinc/45/20/38/801452038.db2.gz MBXXMXQDOYYKDU-HNNXBMFYSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)CC1 ZINC001052883389 801455892 /nfs/dbraw/zinc/45/58/92/801455892.db2.gz OCPZZFBWSBFXGB-ULQDDVLXSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)/C(C)=C/C)C1 ZINC001053076597 801468314 /nfs/dbraw/zinc/46/83/14/801468314.db2.gz QLFSDYCPUXNMMQ-DJKUPCSYSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+]1Cc2ccc(CNC(=O)[C@@H]3CC3(C)C)cc2C1 ZINC001054261832 801484285 /nfs/dbraw/zinc/48/42/85/801484285.db2.gz XGFHDMYMCFOJGQ-KRWDZBQOSA-N 1 1 298.430 3.241 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)CC2CCCC2)CC[C@H]1C ZINC001071315323 801526268 /nfs/dbraw/zinc/52/62/68/801526268.db2.gz WCRPOEXEVGFCPO-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)C=C2CCCCC2)CC[C@@H]1C ZINC001071373646 801532931 /nfs/dbraw/zinc/53/29/31/801532931.db2.gz MLXYXLDEFILOQX-GOEBONIOSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C2C(C)(C)C2(C)C)CC[C@@H]1C ZINC001071413185 801534958 /nfs/dbraw/zinc/53/49/58/801534958.db2.gz CWAVFWGJBRRCIO-KBPBESRZSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C(F)=C2CCCC2)CC[C@H]1C ZINC001071427128 801536729 /nfs/dbraw/zinc/53/67/29/801536729.db2.gz GIAIFCQICGJSJM-HIFRSBDPSA-N 1 1 294.414 3.329 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2c(C)coc2C)CC[C@H]1C ZINC001071478824 801538012 /nfs/dbraw/zinc/53/80/12/801538012.db2.gz YWZXPLCNDNRYFP-HIFRSBDPSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C2(C)CCCC2)CC[C@@H]1C ZINC001071716282 801546929 /nfs/dbraw/zinc/54/69/29/801546929.db2.gz RZDQOJBFGHDQCU-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2occc2C(C)C)CC[C@@H]1C ZINC001071762355 801550150 /nfs/dbraw/zinc/55/01/50/801550150.db2.gz MNUHFQGYOFUSIB-KBPBESRZSA-N 1 1 290.407 3.172 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)C2(C)CCCCC2)CC[C@H]1C ZINC001071792021 801551654 /nfs/dbraw/zinc/55/16/54/801551654.db2.gz CICWURHCTOXTCK-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[C@H](C)[N@H+](CCC3CC3)C2)C1 ZINC001071803669 801553206 /nfs/dbraw/zinc/55/32/06/801553206.db2.gz PUCOPZWEXHAXBU-HOCLYGCPSA-N 1 1 290.451 3.112 20 30 CGEDMO C=Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC(=C)C)C2)cc1 ZINC001071828300 801553952 /nfs/dbraw/zinc/55/39/52/801553952.db2.gz MNUJPPPPGUBROF-MAUKXSAKSA-N 1 1 298.430 3.488 20 30 CGEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2cccc(C(C)C)c2)CC[C@H]1C ZINC001071963713 801559323 /nfs/dbraw/zinc/55/93/23/801559323.db2.gz HWQIBLWNNMXARS-QAPCUYQASA-N 1 1 298.430 3.026 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[C@H](CC)CC2)CC[C@H]1C ZINC001072004598 801559436 /nfs/dbraw/zinc/55/94/36/801559436.db2.gz BFJNHUKYDZGPJC-VQHPVUNQSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)c(C)s2)CC[C@H]1C ZINC001072058345 801564147 /nfs/dbraw/zinc/56/41/47/801564147.db2.gz KRNDPBAUXFNQLX-OCCSQVGLSA-N 1 1 292.448 3.134 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C)cc(C)c3)[C@@H]2C1 ZINC001076498778 801618901 /nfs/dbraw/zinc/61/89/01/801618901.db2.gz GSRRFZXZCJWYQM-FUHWJXTLSA-N 1 1 298.430 3.026 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CCC(C)(C)CC2)C1 ZINC001081016203 801657303 /nfs/dbraw/zinc/65/73/03/801657303.db2.gz AYKQRFHLCYOBOK-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001080979486 801657484 /nfs/dbraw/zinc/65/74/84/801657484.db2.gz QZEYLWHJLUMHJU-RDTXWAMCSA-N 1 1 298.430 3.190 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](C[C@H](C)CC)C[C@H]21 ZINC001084573878 801666985 /nfs/dbraw/zinc/66/69/85/801666985.db2.gz FHSXFKMZKXFHMD-BZUAXINKSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1sc(C)cc1C ZINC001085618616 801699494 /nfs/dbraw/zinc/69/94/94/801699494.db2.gz RJCANDXUFNWALO-AWEZNQCLSA-N 1 1 292.448 3.087 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1sc(C)cc1C ZINC001085618616 801699497 /nfs/dbraw/zinc/69/94/97/801699497.db2.gz RJCANDXUFNWALO-AWEZNQCLSA-N 1 1 292.448 3.087 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2C(C)(C)C2(C)C)[C@H]1CC ZINC001087532312 801754420 /nfs/dbraw/zinc/75/44/20/801754420.db2.gz BQPFRYYPZJPUMK-UONOGXRCSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CC=C(C)C)[C@@H]2CC)C1 ZINC001087714485 801764386 /nfs/dbraw/zinc/76/43/86/801764386.db2.gz OZWUJTGISAFJPJ-JKSUJKDBSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C=C2CCCCC2)[C@H]1C ZINC001088483615 801797021 /nfs/dbraw/zinc/79/70/21/801797021.db2.gz ONYRRCJNXAEQLS-ZBFHGGJFSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)[C@H]1C ZINC001088941238 801812894 /nfs/dbraw/zinc/81/28/94/801812894.db2.gz NKXQYLXJMDTGMK-VQHPVUNQSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cc(C(C)C)oc2C)[C@H]1C ZINC001088950531 801814051 /nfs/dbraw/zinc/81/40/51/801814051.db2.gz VHVJOIICWYGRIX-DOMZBBRYSA-N 1 1 290.407 3.090 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)CC=C(C)CC2)[C@H]1C ZINC001089054885 801819878 /nfs/dbraw/zinc/81/98/78/801819878.db2.gz LPBRNNAZNHEWBW-RYRKJORJSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccco2)CC(C)(C)C1 ZINC001089303010 801831680 /nfs/dbraw/zinc/83/16/80/801831680.db2.gz JUKKLUBERXLLND-CQSZACIVSA-N 1 1 290.407 3.076 20 30 CGEDMO C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC001089606089 801846456 /nfs/dbraw/zinc/84/64/56/801846456.db2.gz VPFAETBFGNTJAX-HZPDHXFCSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CC=CC1 ZINC001089624143 801847174 /nfs/dbraw/zinc/84/71/74/801847174.db2.gz VQFFMJXYXYAFIS-MRXNPFEDSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[C@H](C)CC1)C2 ZINC001096385031 801886593 /nfs/dbraw/zinc/88/65/93/801886593.db2.gz YRHLIDBTLJPNKN-MTSZKFMLSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCC(=C)CC1)C2 ZINC001095969406 801887954 /nfs/dbraw/zinc/88/79/54/801887954.db2.gz SMKJJIYRDBYCCP-IKGGRYGDSA-N 1 1 288.435 3.030 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CC)C2 ZINC001095936016 801888946 /nfs/dbraw/zinc/88/89/46/801888946.db2.gz SDVFCFDAVMXBIQ-NJAFHUGGSA-N 1 1 298.430 3.160 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)cc(C)cc1C)C2 ZINC001096497602 801890527 /nfs/dbraw/zinc/89/05/27/801890527.db2.gz TYBMAZLERLJQOC-IKGGRYGDSA-N 1 1 298.430 3.133 20 30 CGEDMO C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2CCCC2)C1 ZINC001098710893 801912678 /nfs/dbraw/zinc/91/26/78/801912678.db2.gz CFEJGWSGZDNDSJ-WMZOPIPTSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2=CCCCCC2)C1 ZINC001098809106 801914432 /nfs/dbraw/zinc/91/44/32/801914432.db2.gz HCSJTKLZDYTOPE-WMZOPIPTSA-N 1 1 288.435 3.034 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC[C@@H](C)F ZINC001098966656 801922660 /nfs/dbraw/zinc/92/26/60/801922660.db2.gz SBWZFMQKGQHBOK-HUUCEWRRSA-N 1 1 298.446 3.308 20 30 CGEDMO C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC1CCC1 ZINC001099001355 801924820 /nfs/dbraw/zinc/92/48/20/801924820.db2.gz SRZCHVQLVUSYFD-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)/C=C(\C)CC ZINC001099054347 801926489 /nfs/dbraw/zinc/92/64/89/801926489.db2.gz DLTDLKUKZVDTAQ-ATGUSINASA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)/C(C)=C\C ZINC001099016799 801926554 /nfs/dbraw/zinc/92/65/54/801926554.db2.gz NCXAWNMBUGCAIC-GSHXUFRSSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1(C)CCCC1 ZINC001099158475 801930237 /nfs/dbraw/zinc/93/02/37/801930237.db2.gz HDIGNTGHGFFERX-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)C=C ZINC001099170299 801930433 /nfs/dbraw/zinc/93/04/33/801930433.db2.gz GHOPVCIMGNSLIH-HNNXBMFYSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C/C=C(/C)C=C ZINC001099181523 801932471 /nfs/dbraw/zinc/93/24/71/801932471.db2.gz AOKSGDGYIQWMLU-YMDFIQGPSA-N 1 1 290.451 3.302 20 30 CGEDMO C=CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCC ZINC001099204262 801933925 /nfs/dbraw/zinc/93/39/25/801933925.db2.gz XZUDANVQDUHAJU-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)CC ZINC001099208386 801934002 /nfs/dbraw/zinc/93/40/02/801934002.db2.gz QQEWREVXQSODOG-HNNXBMFYSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](CNC(=O)CC2=CCCCC2)[C@H](C)C1 ZINC001101817196 801992330 /nfs/dbraw/zinc/99/23/30/801992330.db2.gz GOJZMVYCMJIMJY-NVXWUHKLSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)CCCC)[C@H](C)C1 ZINC001101934738 801995393 /nfs/dbraw/zinc/99/53/93/801995393.db2.gz JYOPPADAEYDIFA-BRWVUGGUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)CCCC)[C@H](C)C1 ZINC001101932310 801996320 /nfs/dbraw/zinc/99/63/20/801996320.db2.gz MPFWVRRWZHZABP-ARFHVFGLSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H](CNC(=O)C2(C)CC2)[C@H](C)C1 ZINC001101990450 801997924 /nfs/dbraw/zinc/99/79/24/801997924.db2.gz XDJBACJIAQVUCZ-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](CNC(=O)CCCC2CC2)[C@H](C)C1 ZINC001102259396 802001357 /nfs/dbraw/zinc/00/13/57/802001357.db2.gz GICDGZLXZDPAKT-NVXWUHKLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](CC2CCC2)C[C@H]1C ZINC001102261398 802001637 /nfs/dbraw/zinc/00/16/37/802001637.db2.gz XZTQAVINBJSLOE-BFYDXBDKSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NC[C@@H]1C[N@@H+](CCCCC)C[C@H]1C ZINC001102260767 802002029 /nfs/dbraw/zinc/00/20/29/802002029.db2.gz CGTVQJMYCDJBHL-GVDBMIGSSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](CNC(=O)C(C)(C)CC=C)[C@H](C)C1 ZINC001102411476 802006554 /nfs/dbraw/zinc/00/65/54/802006554.db2.gz YOQVWIAVBQXEEM-HZPDHXFCSA-N 1 1 292.467 3.239 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC)CCC)[C@H](C)C1 ZINC001102485012 802009836 /nfs/dbraw/zinc/00/98/36/802009836.db2.gz FVJZRUHRDKDNSG-OWCLPIDISA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](CNC(=O)C[C@H](CC)C(C)C)[C@H](C)C1 ZINC001102520489 802010371 /nfs/dbraw/zinc/01/03/71/802010371.db2.gz MOWRPLJZLQYIIB-IXDOHACOSA-N 1 1 294.483 3.319 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)CCC)C1 ZINC001102789506 802019424 /nfs/dbraw/zinc/01/94/24/802019424.db2.gz FHDXTIDLQADCMN-ARFHVFGLSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C=C2CCC2)C1 ZINC001102851149 802021871 /nfs/dbraw/zinc/02/18/71/802021871.db2.gz ZQPVBAGBRWWLBH-NVXWUHKLSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)CC)C1 ZINC001102913153 802023232 /nfs/dbraw/zinc/02/32/32/802023232.db2.gz BQBXBZCAPAWFMY-GVDBMIGSSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)CCC(=O)NCC[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C ZINC001103040238 802027259 /nfs/dbraw/zinc/02/72/59/802027259.db2.gz LRLKJPJQFAIEIL-NVXWUHKLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C1CC(C)(C(=O)NCC[C@@H]2C[N@@H+](CCCC)C[C@H]2C)C1 ZINC001103418333 802035281 /nfs/dbraw/zinc/03/52/81/802035281.db2.gz CJSFBUZYXDZTHP-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)C=C(C)C)CCC[C@@H]12 ZINC001107273504 802082588 /nfs/dbraw/zinc/08/25/88/802082588.db2.gz OAQZTOFIEPMNEY-SJLPKXTDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)CCCCC)CCC[C@@H]12 ZINC001107282719 802083465 /nfs/dbraw/zinc/08/34/65/802083465.db2.gz RTQRGSVUHYPKTJ-NVXWUHKLSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)C[C@H](C)C(C)C)CCC[C@@H]12 ZINC001107324042 802086112 /nfs/dbraw/zinc/08/61/12/802086112.db2.gz PAAJUWGVGSDYDQ-LZLYRXPVSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)CC(=C)C)CCC[C@@H]12 ZINC001107514443 802089957 /nfs/dbraw/zinc/08/99/57/802089957.db2.gz HCZTXUVTHSXMET-LZLYRXPVSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)CC[C@@H](C)CC)CCC[C@@H]12 ZINC001107585529 802092675 /nfs/dbraw/zinc/09/26/75/802092675.db2.gz FFXWWYJMUJZXHX-LZLYRXPVSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC=CC1)C2 ZINC001109102902 802107976 /nfs/dbraw/zinc/10/79/76/802107976.db2.gz FNXXPIHWGSZNNY-SIXLDLHFSA-N 1 1 288.435 3.029 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(C)(C)CC)C2 ZINC001109335499 802115375 /nfs/dbraw/zinc/11/53/75/802115375.db2.gz VNYREQNQWUGLOE-ILXRZTDVSA-N 1 1 278.440 3.110 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(C)=C(C)C)C2 ZINC001109611517 802119273 /nfs/dbraw/zinc/11/92/73/802119273.db2.gz MCFGSAFMJRBDIO-PMPSAXMXSA-N 1 1 276.424 3.030 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)CC(=C)C)C2 ZINC001109633386 802120551 /nfs/dbraw/zinc/12/05/51/802120551.db2.gz ZBPILWWSBJXCBN-YVSFHVDLSA-N 1 1 290.451 3.276 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C\Cl ZINC001109768087 802124734 /nfs/dbraw/zinc/12/47/34/802124734.db2.gz YLGBKYZAPPNAHU-FINJAPILSA-N 1 1 296.842 3.063 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C/C=C\Cl ZINC001109768087 802124739 /nfs/dbraw/zinc/12/47/39/802124739.db2.gz YLGBKYZAPPNAHU-FINJAPILSA-N 1 1 296.842 3.063 20 30 CGEDMO CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCC1)C2 ZINC001110228752 802131082 /nfs/dbraw/zinc/13/10/82/802131082.db2.gz ZCAURMTUSOQGFB-ZACQAIPSSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)/C(C)=C/C)C2 ZINC001110435876 802142204 /nfs/dbraw/zinc/14/22/04/802142204.db2.gz YNBVRGHZEKTKDD-XQPWOCIWSA-N 1 1 276.424 3.029 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCCC ZINC001110497371 802142536 /nfs/dbraw/zinc/14/25/36/802142536.db2.gz UEIPSXWARUFVGO-ZACQAIPSSA-N 1 1 290.451 3.092 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C ZINC001110898393 802148038 /nfs/dbraw/zinc/14/80/38/802148038.db2.gz DLRVSCINVAUQQS-KFWWJZLASA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC)CC1 ZINC001110989205 802153005 /nfs/dbraw/zinc/15/30/05/802153005.db2.gz HVSQWVXAGGXRLY-OAGGEKHMSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(CC)CC)C2 ZINC001111189841 802157115 /nfs/dbraw/zinc/15/71/15/802157115.db2.gz FYKMPEFQVBCEBL-OAGGEKHMSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC1CCCC1)C2 ZINC001111648785 802165164 /nfs/dbraw/zinc/16/51/64/802165164.db2.gz NYOMSGUNZSBSRG-WMZOPIPTSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)CC(=C)C)C1 ZINC001111850301 802171003 /nfs/dbraw/zinc/17/10/03/802171003.db2.gz IWXJUPQYALIPGX-BQFCYCMXSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCCCCC[NH+]1CCN(C(=O)c2ccc(C)o2)CC1 ZINC001112601334 802180138 /nfs/dbraw/zinc/18/01/38/802180138.db2.gz OGXGXAOAKMERNW-UHFFFAOYSA-N 1 1 290.407 3.092 20 30 CGEDMO CCCCCCC[NH+]1CCN(C(=O)C(F)=C(C)C)CC1 ZINC001112766489 802188221 /nfs/dbraw/zinc/18/82/21/802188221.db2.gz ZURSTFPMXHOUDT-UHFFFAOYSA-N 1 1 284.419 3.364 20 30 CGEDMO C[C@H](Cc1ccncc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001256744010 806968298 /nfs/dbraw/zinc/96/82/98/806968298.db2.gz UEINDOCPGFJEEO-CQSZACIVSA-N 1 1 265.360 3.016 20 30 CGEDMO C=CC[C@H](C(=O)N1CC[NH+](CC(=C)C)CC1)c1ccccc1 ZINC001113661495 802229803 /nfs/dbraw/zinc/22/98/03/802229803.db2.gz WIRYEAMYVYPIDR-SFHVURJKSA-N 1 1 298.430 3.067 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](CCCC(C)(C)C)C[C@H]21 ZINC001114686595 802244022 /nfs/dbraw/zinc/24/40/22/802244022.db2.gz OIGNKQQKRDCFJG-FICVDOATSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(CC)CC)C[C@H]21 ZINC001114728451 802244529 /nfs/dbraw/zinc/24/45/29/802244529.db2.gz GOCWJODBVRSBCP-KBEGMRNHSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CCCCC)C(C)C ZINC001115095975 802251601 /nfs/dbraw/zinc/25/16/01/802251601.db2.gz NEFHKXSWMYLZFV-MWDXBVQZSA-N 1 1 292.467 3.071 20 30 CGEDMO C#CC[N@H+](Cc1sc2nc(C)nc(C)c2c1C)CC1CC1 ZINC001116450178 802354817 /nfs/dbraw/zinc/35/48/17/802354817.db2.gz UPNJUNHHRCHOCN-UHFFFAOYSA-N 1 1 299.443 3.462 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC001116546962 802376577 /nfs/dbraw/zinc/37/65/77/802376577.db2.gz CRGRGQSVCBQCQI-QGZVFWFLSA-N 1 1 287.403 3.048 20 30 CGEDMO C=CCO[C@H]1CC[N@H+]([C@@H](C)c2ccc(F)c(F)c2)C1 ZINC001116556637 802376992 /nfs/dbraw/zinc/37/69/92/802376992.db2.gz RGYDMLOBLIMTNS-AAEUAGOBSA-N 1 1 267.319 3.303 20 30 CGEDMO C=CCOC(=O)N[C@@H]1CCC[N@H+]([C@@H]2CC[C@H](C)[C@H](C)C2)C1 ZINC001172381408 808275329 /nfs/dbraw/zinc/27/53/29/808275329.db2.gz DIRWHJKUZJXNKB-ZJIFWQFVSA-N 1 1 294.439 3.188 20 30 CGEDMO CC(C)COCC[C@H](C)[N@H+]1CCC[C@H](CC#N)C1 ZINC001172475291 808339962 /nfs/dbraw/zinc/33/99/62/808339962.db2.gz HOUJWMXLOCBUGF-LSDHHAIUSA-N 1 1 252.402 3.063 20 30 CGEDMO CC(C)COCC[C@@H](C)[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001172474672 808340898 /nfs/dbraw/zinc/34/08/98/808340898.db2.gz VBEOGNMXRQAJPE-OAHLLOKOSA-N 1 1 286.419 3.368 20 30 CGEDMO C#C[C@H]([NH2+]Cc1nc2c(s1)C[C@H](C)CC2)C(C)(C)C ZINC001117645787 802474756 /nfs/dbraw/zinc/47/47/56/802474756.db2.gz MGLQNKAZOWXXPF-RISCZKNCSA-N 1 1 276.449 3.405 20 30 CGEDMO C=CC[C@H]1[N@H+](C[C@H](O)CCC2(O)CCC2)CCCC1(C)C ZINC001119770876 802699030 /nfs/dbraw/zinc/69/90/30/802699030.db2.gz DJYJYXBBAFUPAR-HZPDHXFCSA-N 1 1 295.467 3.109 20 30 CGEDMO C=CC[C@H]1[N@H+](Cc2[nH]nc3c2COCC3)CCCC1(C)C ZINC001119772369 802699609 /nfs/dbraw/zinc/69/96/09/802699609.db2.gz WXVYLJAIOBREOE-MRXNPFEDSA-N 1 1 289.423 3.049 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(C)=O)C1 ZINC001120271959 802737597 /nfs/dbraw/zinc/73/75/97/802737597.db2.gz INOJPHYTODSDST-MSOLQXFVSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCC(=C)C)C1 ZINC001120393739 802743799 /nfs/dbraw/zinc/74/37/99/802743799.db2.gz XDRNYOIMYOZNAC-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO N#Cc1ccc(CN[C@@H]2CCC[N@@H+](C3CCCC3)C2)s1 ZINC001256905190 807007463 /nfs/dbraw/zinc/00/74/63/807007463.db2.gz RDNBOMCLCIPUSW-CYBMUJFWSA-N 1 1 289.448 3.116 20 30 CGEDMO N#Cc1ccc(CN[C@@H]2CCC[N@H+](C3CCCC3)C2)s1 ZINC001256905190 807007469 /nfs/dbraw/zinc/00/74/69/807007469.db2.gz RDNBOMCLCIPUSW-CYBMUJFWSA-N 1 1 289.448 3.116 20 30 CGEDMO CCC[N@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)CC(C)(C)C#N ZINC001122998772 802900550 /nfs/dbraw/zinc/90/05/50/802900550.db2.gz WFHAKCMNCGRALK-UONOGXRCSA-N 1 1 280.412 3.122 20 30 CGEDMO CN(C)c1ccc(C#N)cc1C[N@@H+](C)C[C@H]1CC1(C)C ZINC001206808253 813443659 /nfs/dbraw/zinc/44/36/59/813443659.db2.gz FAYWCSDLJFINKK-OAHLLOKOSA-N 1 1 271.408 3.102 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)c2ccc(C)o2)CC[C@@H]1C ZINC001131768718 803343260 /nfs/dbraw/zinc/34/32/60/803343260.db2.gz STPBYADMPUJZTQ-DZGCQCFKSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC2CCCC2)C1 ZINC001131895735 803355709 /nfs/dbraw/zinc/35/57/09/803355709.db2.gz LNFFBEAIFLIPBY-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC2CC(C)(C)C2)C1 ZINC001131894961 803355760 /nfs/dbraw/zinc/35/57/60/803355760.db2.gz DOJLPMSWROVHBF-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)/C(C)=C/CC)CC[C@H]1C ZINC001131918817 803357723 /nfs/dbraw/zinc/35/77/23/803357723.db2.gz UBAGSPVBZJIIGU-DJYJQHBUSA-N 1 1 278.440 3.278 20 30 CGEDMO CCC(CC)C[N@H+]1C[C@@H](NC(=O)C#CC(C)C)CC[C@@H]1C ZINC001132022083 803367134 /nfs/dbraw/zinc/36/71/34/803367134.db2.gz UNPQAPGQLSFLJI-RDJZCZTQSA-N 1 1 292.467 3.051 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](C/C=C/Cl)C1 ZINC001132073579 803370701 /nfs/dbraw/zinc/37/07/01/803370701.db2.gz WSQAQXVMUAYPFX-SYVBBQGSSA-N 1 1 284.831 3.064 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](C/C=C/Cl)C1 ZINC001132073579 803370709 /nfs/dbraw/zinc/37/07/09/803370709.db2.gz WSQAQXVMUAYPFX-SYVBBQGSSA-N 1 1 284.831 3.064 20 30 CGEDMO CC#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCC(C)C)C1 ZINC001132225123 803382060 /nfs/dbraw/zinc/38/20/60/803382060.db2.gz SSUAJUCIINAKSP-DLBZAZTESA-N 1 1 292.467 3.195 20 30 CGEDMO C#CCCCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](CCC=C)C1 ZINC001132240730 803385359 /nfs/dbraw/zinc/38/53/59/803385359.db2.gz LFSVHPSFFNIWIG-IRXDYDNUSA-N 1 1 290.451 3.115 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC2CCC2)C1 ZINC001132250095 803386951 /nfs/dbraw/zinc/38/69/51/803386951.db2.gz XEPZUPGVMUJGFH-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)C(C)(C)CCC)CC[C@H]1C ZINC001132252810 803387149 /nfs/dbraw/zinc/38/71/49/803387149.db2.gz KSRMIDZSZGKAMR-HUUCEWRRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC2CCC2)C1 ZINC001132250099 803387277 /nfs/dbraw/zinc/38/72/77/803387277.db2.gz XEPZUPGVMUJGFH-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)CCC)CC[C@H]1C ZINC001132253796 803389189 /nfs/dbraw/zinc/38/91/89/803389189.db2.gz ZOOMQTVSHDZPNF-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC(C)C)C2)CCC1 ZINC001132282003 803389864 /nfs/dbraw/zinc/38/98/64/803389864.db2.gz HCHSMNBLTVBZEX-HZPDHXFCSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)C2(CC)CC2)CC[C@H]1C ZINC001132283082 803392036 /nfs/dbraw/zinc/39/20/36/803392036.db2.gz RFQMFUGVDIVHBY-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO Cc1ccc(-c2ccccc2C[NH+]2CCOCC2)cc1C#N ZINC001244495150 803403049 /nfs/dbraw/zinc/40/30/49/803403049.db2.gz MMPBBGAYKQMVIG-UHFFFAOYSA-N 1 1 292.382 3.366 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)CCCCCC)CC[C@@H]1C ZINC001132463965 803406332 /nfs/dbraw/zinc/40/63/32/803406332.db2.gz KWZVYUQDOVTBEH-LSDHHAIUSA-N 1 1 266.429 3.112 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)CCCCCC)CC[C@H]1C ZINC001132463962 803406901 /nfs/dbraw/zinc/40/69/01/803406901.db2.gz KWZVYUQDOVTBEH-CABCVRRESA-N 1 1 266.429 3.112 20 30 CGEDMO C=CCC1(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)CCCCC1 ZINC001136225134 803637188 /nfs/dbraw/zinc/63/71/88/803637188.db2.gz TYYDAHJLSHXXNF-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCCCC[N@@H+](C)Cc1nc(C(F)(F)F)c[nH]1 ZINC001137018732 803671898 /nfs/dbraw/zinc/67/18/98/803671898.db2.gz CNUJKHDYNSCFID-UHFFFAOYSA-N 1 1 261.291 3.217 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1nc(C(F)(F)F)c[nH]1 ZINC001137018732 803671903 /nfs/dbraw/zinc/67/19/03/803671903.db2.gz CNUJKHDYNSCFID-UHFFFAOYSA-N 1 1 261.291 3.217 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2c[nH]c3c2cccc3F)C1 ZINC001137057502 803676862 /nfs/dbraw/zinc/67/68/62/803676862.db2.gz DUYSEIRGVRDRGE-LBPRGKRZSA-N 1 1 271.339 3.433 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)cc1 ZINC001137115273 803685003 /nfs/dbraw/zinc/68/50/03/803685003.db2.gz GCVIPFBSOQCGHE-HIFRSBDPSA-N 1 1 292.329 3.066 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3cccc4cccnc43)CC[C@H]2S1 ZINC001137173442 803693817 /nfs/dbraw/zinc/69/38/17/803693817.db2.gz VPOPMHFNONFWLF-OAHLLOKOSA-N 1 1 296.395 3.009 20 30 CGEDMO O=C1C=C2C[N@@H+](Cc3cccc4cccnc43)CCC2S1 ZINC001137173442 803693819 /nfs/dbraw/zinc/69/38/19/803693819.db2.gz VPOPMHFNONFWLF-OAHLLOKOSA-N 1 1 296.395 3.009 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3cccc4cccnc43)CCC2S1 ZINC001137173442 803693821 /nfs/dbraw/zinc/69/38/21/803693821.db2.gz VPOPMHFNONFWLF-OAHLLOKOSA-N 1 1 296.395 3.009 20 30 CGEDMO C=CC[N@H+](Cc1cnc2ccc(C)cn12)C(C)(C)C ZINC001137312387 803712914 /nfs/dbraw/zinc/71/29/14/803712914.db2.gz SKJXHUIOULXXJO-UHFFFAOYSA-N 1 1 257.381 3.429 20 30 CGEDMO C#CC1CC[NH+](Cc2ccc(F)cc2Br)CC1 ZINC001137549858 803740469 /nfs/dbraw/zinc/74/04/69/803740469.db2.gz CHDLALAQBNICFZ-UHFFFAOYSA-N 1 1 296.183 3.433 20 30 CGEDMO CCCCCCC[N@@H+](C)Cc1cccc(S(C)(=O)=O)c1 ZINC001137571540 803740730 /nfs/dbraw/zinc/74/07/30/803740730.db2.gz MWQGSQJFSAGNDU-UHFFFAOYSA-N 1 1 297.464 3.492 20 30 CGEDMO COc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)c(C#N)c1 ZINC001137704809 803760669 /nfs/dbraw/zinc/76/06/69/803760669.db2.gz WDZLPZFETWRIJX-BETUJISGSA-N 1 1 258.365 3.045 20 30 CGEDMO Cc1ccc(F)c(C[N@@H+]2CCC[C@H](C#N)CC2)c1F ZINC001138119680 803861696 /nfs/dbraw/zinc/86/16/96/803861696.db2.gz OPMYBTKKGRGEHW-LBPRGKRZSA-N 1 1 264.319 3.399 20 30 CGEDMO Cc1ccc(F)c(C[N@H+]2CCC[C@H](C#N)CC2)c1F ZINC001138119680 803861703 /nfs/dbraw/zinc/86/17/03/803861703.db2.gz OPMYBTKKGRGEHW-LBPRGKRZSA-N 1 1 264.319 3.399 20 30 CGEDMO Cc1c(C[N@H+]2CC[C@](C)(C#N)C2)c2ccccc2n1C ZINC001138259739 803884378 /nfs/dbraw/zinc/88/43/78/803884378.db2.gz NCYGBUWCGVMSQU-QGZVFWFLSA-N 1 1 267.376 3.222 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1c[nH]c2cc(C(=O)OC)ccc12 ZINC001138267512 803887795 /nfs/dbraw/zinc/88/77/95/803887795.db2.gz PAHYWBJEUZUUHD-UHFFFAOYSA-N 1 1 286.375 3.353 20 30 CGEDMO C#CCOc1ccc(C[N@@H+](C)C[C@@H]2CC2(C)C)cc1OC ZINC001138348632 803899953 /nfs/dbraw/zinc/89/99/53/803899953.db2.gz MIDRPQCGELYSJC-HNNXBMFYSA-N 1 1 287.403 3.185 20 30 CGEDMO COc1c(F)cc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1F ZINC001138425604 803929978 /nfs/dbraw/zinc/92/99/78/803929978.db2.gz ZBYKYOIAKLTEPJ-UOJUARBOSA-N 1 1 292.329 3.240 20 30 CGEDMO COc1c(F)cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1F ZINC001138425604 803929983 /nfs/dbraw/zinc/92/99/83/803929983.db2.gz ZBYKYOIAKLTEPJ-UOJUARBOSA-N 1 1 292.329 3.240 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@](C)(F)CC2)cc1 ZINC001138556456 803966753 /nfs/dbraw/zinc/96/67/53/803966753.db2.gz WHBHWRGNNGUMEJ-KRWDZBQOSA-N 1 1 275.367 3.413 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CC[C@H](c3ccncc3)C2)cc1 ZINC001138559384 803969103 /nfs/dbraw/zinc/96/91/03/803969103.db2.gz SQHZIERDALZLNC-SFHVURJKSA-N 1 1 292.382 3.083 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CCC(=O)[C@H]3CCCC[C@H]32)c1O ZINC001138625256 803982515 /nfs/dbraw/zinc/98/25/15/803982515.db2.gz IWYIWHPCLQBMEH-DLBZAZTESA-N 1 1 299.414 3.454 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1CC[C@H](C)[C@@H](O)CC1 ZINC001138663579 803997650 /nfs/dbraw/zinc/99/76/50/803997650.db2.gz YRQQHTGRWNEHFO-RDJZCZTQSA-N 1 1 289.419 3.234 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CCOC[C@H]1CC ZINC001138665005 803997764 /nfs/dbraw/zinc/99/77/64/803997764.db2.gz DZEDHRBTLFEXFW-MRXNPFEDSA-N 1 1 275.392 3.252 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1CCOC[C@H]1CC ZINC001138665005 803997770 /nfs/dbraw/zinc/99/77/70/803997770.db2.gz DZEDHRBTLFEXFW-MRXNPFEDSA-N 1 1 275.392 3.252 20 30 CGEDMO CCOc1ccc(C[NH+]2CCC(C#N)CC2)c(OCC)c1 ZINC001138977136 804095251 /nfs/dbraw/zinc/09/52/51/804095251.db2.gz FDCYGDMGPYFKES-UHFFFAOYSA-N 1 1 288.391 3.220 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[N@@H+]1CCN[C@@H](C)C1 ZINC001246019322 804100244 /nfs/dbraw/zinc/10/02/44/804100244.db2.gz DLONWLRQPIQTOB-DLBZAZTESA-N 1 1 284.488 3.172 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[N@H+]1CCN[C@@H](C)C1 ZINC001246019322 804100252 /nfs/dbraw/zinc/10/02/52/804100252.db2.gz DLONWLRQPIQTOB-DLBZAZTESA-N 1 1 284.488 3.172 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+]1CCNC[C@H]1CCC ZINC001246053820 804104437 /nfs/dbraw/zinc/10/44/37/804104437.db2.gz VIRLKVYFLGRVDA-IAGOWNOFSA-N 1 1 284.488 3.172 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCNC[C@H]1CCC ZINC001246053820 804104441 /nfs/dbraw/zinc/10/44/41/804104441.db2.gz VIRLKVYFLGRVDA-IAGOWNOFSA-N 1 1 284.488 3.172 20 30 CGEDMO CCCCCCCC[C@H](O)CN1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001246058852 804104474 /nfs/dbraw/zinc/10/44/74/804104474.db2.gz GVZZQRWVBVFBBV-BZSNNMDCSA-N 1 1 296.499 3.172 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCCC[C@H]1C(C)=O ZINC001139030400 804114901 /nfs/dbraw/zinc/11/49/01/804114901.db2.gz MFGHITZIOTZXMI-INIZCTEOSA-N 1 1 273.376 3.195 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCCC[C@H]1C(C)=O ZINC001139030400 804114902 /nfs/dbraw/zinc/11/49/02/804114902.db2.gz MFGHITZIOTZXMI-INIZCTEOSA-N 1 1 273.376 3.195 20 30 CGEDMO CCCCCCC[C@H](CCC)[NH2+][C@@H]1CNC[C@H]1F ZINC001246129502 804156103 /nfs/dbraw/zinc/15/61/03/804156103.db2.gz QFENIAINEXBDQW-RRFJBIMHSA-N 1 1 258.425 3.415 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(-c2ccc(OC)cc2)s1 ZINC001139288533 804172293 /nfs/dbraw/zinc/17/22/93/804172293.db2.gz ZEJGZTAWFVYUBD-UHFFFAOYSA-N 1 1 271.385 3.489 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(-n2cncn2)cc1)C(C)(C)C ZINC001139332946 804173801 /nfs/dbraw/zinc/17/38/01/804173801.db2.gz FQSVTIOWMYRZIM-UHFFFAOYSA-N 1 1 270.380 3.054 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnc(-c2ccccc2)[nH]1 ZINC001139555236 804207246 /nfs/dbraw/zinc/20/72/46/804207246.db2.gz RTCHFZSMNGIHIU-FFGGFLGDSA-N 1 1 292.386 3.343 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnc(-c2ccccc2)[nH]1 ZINC001139555236 804207255 /nfs/dbraw/zinc/20/72/55/804207255.db2.gz RTCHFZSMNGIHIU-FFGGFLGDSA-N 1 1 292.386 3.343 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c[nH]c(-c2ccccc2)n1 ZINC001139555236 804207262 /nfs/dbraw/zinc/20/72/62/804207262.db2.gz RTCHFZSMNGIHIU-FFGGFLGDSA-N 1 1 292.386 3.343 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]c(-c2ccccc2)n1 ZINC001139555236 804207269 /nfs/dbraw/zinc/20/72/69/804207269.db2.gz RTCHFZSMNGIHIU-FFGGFLGDSA-N 1 1 292.386 3.343 20 30 CGEDMO CCCCCCCCC[C@@H](CCC)[NH2+][C@@H]1CNC[C@@H]1N ZINC001246211943 804210741 /nfs/dbraw/zinc/21/07/41/804210741.db2.gz OUEDONAJZXCVSB-IXDOHACOSA-N 1 1 283.504 3.185 20 30 CGEDMO Cc1cnc(Cl)c(C[N@@H+]2CCC[C@@H](C#N)CC2)c1 ZINC001139591365 804214689 /nfs/dbraw/zinc/21/46/89/804214689.db2.gz RHMRZUBWNZNNFU-GFCCVEGCSA-N 1 1 263.772 3.169 20 30 CGEDMO Cc1cnc(Cl)c(C[N@H+]2CCC[C@@H](C#N)CC2)c1 ZINC001139591365 804214698 /nfs/dbraw/zinc/21/46/98/804214698.db2.gz RHMRZUBWNZNNFU-GFCCVEGCSA-N 1 1 263.772 3.169 20 30 CGEDMO C=CC[N@H+](Cc1cnccc1OC)C1CCCCC1 ZINC001139609473 804225871 /nfs/dbraw/zinc/22/58/71/804225871.db2.gz FIKWVNCLQAPAHW-UHFFFAOYSA-N 1 1 260.381 3.411 20 30 CGEDMO C[C@H]1CC[N@H+](Cc2cccc(Cl)c2C#N)CC[C@]1(C)O ZINC001139687617 804254627 /nfs/dbraw/zinc/25/46/27/804254627.db2.gz UOGMXGYVPOQZRZ-LRDDRELGSA-N 1 1 292.810 3.195 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2C#N)CC[C@]1(C)O ZINC001139687617 804254636 /nfs/dbraw/zinc/25/46/36/804254636.db2.gz UOGMXGYVPOQZRZ-LRDDRELGSA-N 1 1 292.810 3.195 20 30 CGEDMO CC1(C)C[N@H+](Cc2cccc(Cl)c2C#N)[C@](C)(CO)C1 ZINC001139686726 804254777 /nfs/dbraw/zinc/25/47/77/804254777.db2.gz CWODOPPRHOVFNL-INIZCTEOSA-N 1 1 292.810 3.195 20 30 CGEDMO CC1(C)C[N@@H+](Cc2cccc(Cl)c2C#N)[C@](C)(CO)C1 ZINC001139686726 804254784 /nfs/dbraw/zinc/25/47/84/804254784.db2.gz CWODOPPRHOVFNL-INIZCTEOSA-N 1 1 292.810 3.195 20 30 CGEDMO C[N@H+](Cc1c[nH]c2c1cccc2C#N)C[C@H]1CCCCO1 ZINC001139703306 804259819 /nfs/dbraw/zinc/25/98/19/804259819.db2.gz NBVCMUJHDVMCCW-OAHLLOKOSA-N 1 1 283.375 3.040 20 30 CGEDMO N#Cc1cccc2c(C[N@H+]3C[C@H]4CC[C@@H]3C4)c[nH]c21 ZINC001139706227 804260979 /nfs/dbraw/zinc/26/09/79/804260979.db2.gz PEUHMQDPNQYILH-SMDDNHRTSA-N 1 1 251.333 3.024 20 30 CGEDMO CCCCCCC[C@H](CCC)N[C@]1(CCO)CC[NH2+]C1 ZINC001246292416 804262686 /nfs/dbraw/zinc/26/26/86/804262686.db2.gz JPBUIPVMHAXKOF-IRXDYDNUSA-N 1 1 284.488 3.220 20 30 CGEDMO COc1cccc2c1C[N@H+](Cc1ccc(C)c(C#N)c1)CC2 ZINC001139722982 804268024 /nfs/dbraw/zinc/26/80/24/804268024.db2.gz NZRJRTMPAWZLEF-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO COc1cccc2c1C[N@@H+](Cc1ccc(C)c(C#N)c1)CC2 ZINC001139722982 804268026 /nfs/dbraw/zinc/26/80/26/804268026.db2.gz NZRJRTMPAWZLEF-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO CCCCCCCC[C@H](CCC)[NH2+][C@@H]1CNC[C@H]1CO ZINC001246307775 804270798 /nfs/dbraw/zinc/27/07/98/804270798.db2.gz NFPGKTMRCOVFDW-YESZJQIVSA-N 1 1 284.488 3.076 20 30 CGEDMO C=CC[N@H+](Cc1cc(=O)n(C)c2ccccc12)C(C)(C)C ZINC001139762600 804278109 /nfs/dbraw/zinc/27/81/09/804278109.db2.gz PJCHDKHNMSVMCR-UHFFFAOYSA-N 1 1 284.403 3.325 20 30 CGEDMO C=CCn1cc(C[N@@H+](C)CCc2ccccc2Cl)cn1 ZINC001139772885 804280641 /nfs/dbraw/zinc/28/06/41/804280641.db2.gz SIFPAZZQDZAWIZ-UHFFFAOYSA-N 1 1 289.810 3.397 20 30 CGEDMO C=CCn1cc(C[N@H+](CC=C)Cc2ccccc2)cn1 ZINC001139772843 804280666 /nfs/dbraw/zinc/28/06/66/804280666.db2.gz QRYACVLTCHOIAG-UHFFFAOYSA-N 1 1 267.376 3.257 20 30 CGEDMO C=CCn1cc(C[N@@H+](CC=C)Cc2ccccc2)cn1 ZINC001139772843 804280671 /nfs/dbraw/zinc/28/06/71/804280671.db2.gz QRYACVLTCHOIAG-UHFFFAOYSA-N 1 1 267.376 3.257 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccncc1Cl ZINC001139847554 804298783 /nfs/dbraw/zinc/29/87/83/804298783.db2.gz DGKYMHTZEWWEIK-UOJUARBOSA-N 1 1 261.756 3.002 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccncc1Cl ZINC001139847554 804298792 /nfs/dbraw/zinc/29/87/92/804298792.db2.gz DGKYMHTZEWWEIK-UOJUARBOSA-N 1 1 261.756 3.002 20 30 CGEDMO C#CC1(N[C@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CCCCC1 ZINC001246461079 804342166 /nfs/dbraw/zinc/34/21/66/804342166.db2.gz BYIZZIAUCLSUGT-RBUKOAKNSA-N 1 1 296.458 3.275 20 30 CGEDMO N#Cc1ccc2[nH]cc(C[N@H+]3CCC[C@]4(CCOC4)C3)c2c1 ZINC001140110528 804379064 /nfs/dbraw/zinc/37/90/64/804379064.db2.gz MRHZQCCRKSDZAX-SFHVURJKSA-N 1 1 295.386 3.042 20 30 CGEDMO CC1(C)CCC[N@H+]1Cc1c[nH]c2ccc(C#N)cc12 ZINC001140110240 804380296 /nfs/dbraw/zinc/38/02/96/804380296.db2.gz GXXPPNFGKVRFPU-UHFFFAOYSA-N 1 1 253.349 3.414 20 30 CGEDMO C[N@H+](Cc1c[nH]c2ccc(C#N)cc12)C[C@H]1CCCCO1 ZINC001140114472 804381229 /nfs/dbraw/zinc/38/12/29/804381229.db2.gz QTPUJPYKVBZTIF-OAHLLOKOSA-N 1 1 283.375 3.040 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC001140381422 804426464 /nfs/dbraw/zinc/42/64/64/804426464.db2.gz ZIHGRJPLTTWURD-MRXNPFEDSA-N 1 1 277.371 3.484 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC001140381422 804426468 /nfs/dbraw/zinc/42/64/68/804426468.db2.gz ZIHGRJPLTTWURD-MRXNPFEDSA-N 1 1 277.371 3.484 20 30 CGEDMO CC(C)c1ccc(Nc2ccc[nH+]c2N)c(C#N)c1 ZINC001212401553 815019563 /nfs/dbraw/zinc/01/95/63/815019563.db2.gz AMUZBFMMCFUQOP-UHFFFAOYSA-N 1 1 252.321 3.402 20 30 CGEDMO N#Cc1ccc(Cl)c(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)c1 ZINC001140600600 804471248 /nfs/dbraw/zinc/47/12/48/804471248.db2.gz PQDYARMNYNVLRJ-XJKSGUPXSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1ccc(Cl)c(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)c1 ZINC001140600600 804471251 /nfs/dbraw/zinc/47/12/51/804471251.db2.gz PQDYARMNYNVLRJ-XJKSGUPXSA-N 1 1 290.794 3.213 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2Cl)[C@H](C)C1 ZINC001140603708 804473108 /nfs/dbraw/zinc/47/31/08/804473108.db2.gz ZSMFGUBMBSTTBI-BXUZGUMPSA-N 1 1 278.783 3.211 20 30 CGEDMO CCCCCCC[C@@H](C)N1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001246647705 804475793 /nfs/dbraw/zinc/47/57/93/804475793.db2.gz VERLSZZJTUNFAX-QZTJIDSGSA-N 1 1 296.499 3.437 20 30 CGEDMO CCCCCCC[C@@H](C)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001246664902 804486455 /nfs/dbraw/zinc/48/64/55/804486455.db2.gz FLDNRGXBRVPKIG-BZUAXINKSA-N 1 1 252.446 3.277 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2N)C1 ZINC001140717041 804496030 /nfs/dbraw/zinc/49/60/30/804496030.db2.gz GPPRMAVCSDALSV-LLVKDONJSA-N 1 1 263.772 3.048 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2N)C1 ZINC001140717041 804496034 /nfs/dbraw/zinc/49/60/34/804496034.db2.gz GPPRMAVCSDALSV-LLVKDONJSA-N 1 1 263.772 3.048 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@]3(C2)CCCCO3)c1Cl ZINC001140808738 804525832 /nfs/dbraw/zinc/52/58/32/804525832.db2.gz YYQNLGVCRDOSMV-INIZCTEOSA-N 1 1 290.794 3.357 20 30 CGEDMO N#CC1CCC([N@H+]2CCO[C@H](c3ccccc3)C2)CC1 ZINC001256968827 807018878 /nfs/dbraw/zinc/01/88/78/807018878.db2.gz ORHOWVCHGXKROG-PREGVCBESA-N 1 1 270.376 3.142 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+](C)[C@@H]3CCCC[C@H]3N)C[C@H](C1)C2 ZINC001246916350 804598290 /nfs/dbraw/zinc/59/82/90/804598290.db2.gz HOGYUMZIVCYERB-PFUJJPPESA-N 1 1 262.441 3.323 20 30 CGEDMO N#CC1CC[NH+](Cc2cc3cccnc3cc2F)CC1 ZINC001141620808 804657121 /nfs/dbraw/zinc/65/71/21/804657121.db2.gz ITCLPPLLXIPGRT-UHFFFAOYSA-N 1 1 269.323 3.109 20 30 CGEDMO C[Si](C)(C)c1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC001141732957 804665132 /nfs/dbraw/zinc/66/51/32/804665132.db2.gz YMRRBFIJWUALKD-OAHLLOKOSA-N 1 1 286.495 3.357 20 30 CGEDMO CCCCCCCCNC(=S)N[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC001247186588 804677045 /nfs/dbraw/zinc/67/70/45/804677045.db2.gz QWCOXVILHSBWKB-LSDHHAIUSA-N 1 1 299.528 3.151 20 30 CGEDMO CC[C@H]([NH3+])c1nc(-c2cc(Cl)c(C#N)cc2Cl)no1 ZINC001247492744 804750606 /nfs/dbraw/zinc/75/06/06/804750606.db2.gz SIRITICUKFXZOD-JTQLQIEISA-N 1 1 297.145 3.325 20 30 CGEDMO C=CC[NH+]1CCN(Cc2cccc(-c3ccccn3)c2)CC1 ZINC001142841121 804774049 /nfs/dbraw/zinc/77/40/49/804774049.db2.gz NKEMLIZKABHJOR-UHFFFAOYSA-N 1 1 293.414 3.052 20 30 CGEDMO C#CC[C@H]([NH3+])c1nc(-c2ccc(C(C)(C)C)cc2)no1 ZINC001247610032 804779806 /nfs/dbraw/zinc/77/98/06/804779806.db2.gz RWRGGVYYROEVIP-ZDUSSCGKSA-N 1 1 269.348 3.057 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH3+])c1nc(-c2ccc(Cl)cc2C)no1 ZINC001247621545 804780989 /nfs/dbraw/zinc/78/09/89/804780989.db2.gz VBYBGKYWZIAXEU-YMTOWFKASA-N 1 1 275.739 3.058 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2ncccc2C(F)(F)F)no1 ZINC001247622157 804782781 /nfs/dbraw/zinc/78/27/81/804782781.db2.gz HHNCPPGSTPCHAN-VIFPVBQESA-N 1 1 298.268 3.116 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2ccnc3ccccc32)no1 ZINC001247622762 804783629 /nfs/dbraw/zinc/78/36/29/804783629.db2.gz RSAPGMURHGDLKF-CYBMUJFWSA-N 1 1 280.331 3.251 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cncc3ccccc32)no1 ZINC001247622963 804784526 /nfs/dbraw/zinc/78/45/26/804784526.db2.gz SYXFUQCUGIYPEZ-CQSZACIVSA-N 1 1 280.331 3.251 20 30 CGEDMO CCO[C@H]1CCC[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)C1 ZINC001142921439 804784972 /nfs/dbraw/zinc/78/49/72/804784972.db2.gz MXGVNXGHBBZBRG-HNNXBMFYSA-N 1 1 283.375 3.040 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2c(C)cc(OC)cc2C)C1 ZINC001142942336 804788049 /nfs/dbraw/zinc/78/80/49/804788049.db2.gz PYWMLFRYNRTOSJ-OAHLLOKOSA-N 1 1 257.377 3.157 20 30 CGEDMO COc1cc(C)cc(C[N@H+]2CCc3ccc(C#N)cc3C2)c1 ZINC001143150741 804810078 /nfs/dbraw/zinc/81/00/78/804810078.db2.gz UYWLYSKYFLRYIH-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO C[C@H]1CCC[N@H+](Cc2c(F)ccc(C#N)c2F)CC1 ZINC001143164564 804815380 /nfs/dbraw/zinc/81/53/80/804815380.db2.gz LZXWZMZQZALYEH-NSHDSACASA-N 1 1 264.319 3.458 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2c(F)ccc(C#N)c2F)CC1 ZINC001143164564 804815387 /nfs/dbraw/zinc/81/53/87/804815387.db2.gz LZXWZMZQZALYEH-NSHDSACASA-N 1 1 264.319 3.458 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143174105 804815653 /nfs/dbraw/zinc/81/56/53/804815653.db2.gz LZHHBVHEYVKAEN-PHIMTYICSA-N 1 1 264.319 3.314 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143174105 804815658 /nfs/dbraw/zinc/81/56/58/804815658.db2.gz LZHHBVHEYVKAEN-PHIMTYICSA-N 1 1 264.319 3.314 20 30 CGEDMO N#CCC[N@H+](Cc1cc2cccnc2[nH]1)C1CCCC1 ZINC001143220516 804823374 /nfs/dbraw/zinc/82/33/74/804823374.db2.gz MJGPFCJHSTUQDK-UHFFFAOYSA-N 1 1 268.364 3.221 20 30 CGEDMO N#CCC[N@@H+](Cc1cc2cccnc2[nH]1)C1CCCC1 ZINC001143220516 804823383 /nfs/dbraw/zinc/82/33/83/804823383.db2.gz MJGPFCJHSTUQDK-UHFFFAOYSA-N 1 1 268.364 3.221 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2ccc(N3CCCCC3)cc2)no1 ZINC001247966871 804859176 /nfs/dbraw/zinc/85/91/76/804859176.db2.gz IEUHXRKIJVSXLL-HNNXBMFYSA-N 1 1 298.390 3.303 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(OC)c(C(F)(F)F)c1 ZINC001143644806 804882648 /nfs/dbraw/zinc/88/26/48/804882648.db2.gz KMKDSAQSYIPNQX-UHFFFAOYSA-N 1 1 259.271 3.332 20 30 CGEDMO N#Cc1cccc(Cl)c1C[N@@H+]1C[C@H]2CCCC(=O)[C@@H]2C1 ZINC001143734359 804889613 /nfs/dbraw/zinc/88/96/13/804889613.db2.gz LBJUYFBIYVINGH-TZMCWYRMSA-N 1 1 288.778 3.013 20 30 CGEDMO N#Cc1cccc(Cl)c1C[N@H+]1C[C@H]2CCCC(=O)[C@@H]2C1 ZINC001143734359 804889621 /nfs/dbraw/zinc/88/96/21/804889621.db2.gz LBJUYFBIYVINGH-TZMCWYRMSA-N 1 1 288.778 3.013 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(F)c(OC)c(Cl)c2)C1 ZINC001143847817 804900741 /nfs/dbraw/zinc/90/07/41/804900741.db2.gz AXHKQFNXRKDYCH-LLVKDONJSA-N 1 1 281.758 3.333 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(F)c(OC)c(Cl)c2)C1 ZINC001143847817 804900745 /nfs/dbraw/zinc/90/07/45/804900745.db2.gz AXHKQFNXRKDYCH-LLVKDONJSA-N 1 1 281.758 3.333 20 30 CGEDMO CC[N@H+]1CCC[C@H](c2nc(-c3ccc(C#N)c(C)c3)no2)C1 ZINC001248272068 804906183 /nfs/dbraw/zinc/90/61/83/804906183.db2.gz CWGJQHAEEQOHFA-HNNXBMFYSA-N 1 1 296.374 3.116 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@H](C)CCO)cc1 ZINC001165965951 807029094 /nfs/dbraw/zinc/02/90/94/807029094.db2.gz IBMAGFHSCNKVHR-RHSMWYFYSA-N 1 1 274.408 3.192 20 30 CGEDMO Cc1c(O)cccc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC001144122155 804939773 /nfs/dbraw/zinc/93/97/73/804939773.db2.gz VODUCOSUINFHKM-UHFFFAOYSA-N 1 1 266.344 3.204 20 30 CGEDMO CCc1cc(C[N@@H+]2CC[C@](C)(C#N)C2)cc(CC)c1O ZINC001144149633 804945845 /nfs/dbraw/zinc/94/58/45/804945845.db2.gz LHSPCZDIMFATFY-QGZVFWFLSA-N 1 1 272.392 3.253 20 30 CGEDMO CCc1cc(C[N@H+]2CC[C@](C)(C#N)C2)cc(CC)c1O ZINC001144149633 804945846 /nfs/dbraw/zinc/94/58/46/804945846.db2.gz LHSPCZDIMFATFY-QGZVFWFLSA-N 1 1 272.392 3.253 20 30 CGEDMO Cc1ccc2c(C[N@@H+]3CCC[C@H](C#N)C3)cccc2n1 ZINC001248568456 804954665 /nfs/dbraw/zinc/95/46/65/804954665.db2.gz DPODGOOBGSDLLZ-CQSZACIVSA-N 1 1 265.360 3.279 20 30 CGEDMO Cc1ccc2c(C[N@H+]3CCC[C@H](C#N)C3)cccc2n1 ZINC001248568456 804954671 /nfs/dbraw/zinc/95/46/71/804954671.db2.gz DPODGOOBGSDLLZ-CQSZACIVSA-N 1 1 265.360 3.279 20 30 CGEDMO Cc1noc2ccc(C[N@@H+]3[C@@H]4CC[C@H]3C[C@H](C#N)C4)cc12 ZINC001248706310 804971390 /nfs/dbraw/zinc/97/13/90/804971390.db2.gz QVUVGGAAQFUDIP-QKDCVEJESA-N 1 1 281.359 3.403 20 30 CGEDMO CCc1cc(C#N)ccc1CN1CC[N@@H+](C(C)C)[C@@H](C)C1 ZINC001248752972 804983564 /nfs/dbraw/zinc/98/35/64/804983564.db2.gz KBMBPBYARMVMJP-HNNXBMFYSA-N 1 1 285.435 3.035 20 30 CGEDMO Cn1ccc(-c2ccc(C[N@H+]3CCC[C@H](CC#N)C3)cc2)n1 ZINC001248766401 804987562 /nfs/dbraw/zinc/98/75/62/804987562.db2.gz OTKZMKXECNTFGU-OAHLLOKOSA-N 1 1 294.402 3.213 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(Br)n1C ZINC001248776180 804990127 /nfs/dbraw/zinc/99/01/27/804990127.db2.gz KHACCUTWNDCWQL-UHFFFAOYSA-N 1 1 271.202 3.186 20 30 CGEDMO Cc1cc(C[N@@H+]2CCc3ccc(C#N)cc3C2)cs1 ZINC001248801270 804995404 /nfs/dbraw/zinc/99/54/04/804995404.db2.gz IHQHPKUJMHEWLX-UHFFFAOYSA-N 1 1 268.385 3.487 20 30 CGEDMO Cc1cc(C[N@H+]2CCc3ccc(C#N)cc3C2)cs1 ZINC001248801270 804995408 /nfs/dbraw/zinc/99/54/08/804995408.db2.gz IHQHPKUJMHEWLX-UHFFFAOYSA-N 1 1 268.385 3.487 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc2cc[nH]c21 ZINC001144717564 805038120 /nfs/dbraw/zinc/03/81/20/805038120.db2.gz XQQVFKCGQYFNDN-DVSIDAKKSA-N 1 1 265.360 3.434 20 30 CGEDMO CC[N@H+]1CCCC[C@@H]1c1nc(-c2cccc(C#N)c2)no1 ZINC001248964259 805059479 /nfs/dbraw/zinc/05/94/79/805059479.db2.gz UYVKMGHFJYAIAY-CQSZACIVSA-N 1 1 282.347 3.155 20 30 CGEDMO C[C@H]1C[N@H+](Cc2cnn3ccc(C#N)cc23)CCC[C@@H]1C ZINC001249082530 805085106 /nfs/dbraw/zinc/08/51/06/805085106.db2.gz XBCHPSPMHGQXDV-KBPBESRZSA-N 1 1 282.391 3.074 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC2(C1)CC[N@H+](CCCCC)C2 ZINC001147652385 805141361 /nfs/dbraw/zinc/14/13/61/805141361.db2.gz HVAMPJWMZKDWGT-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO N#Cc1ccc2cc(C[N@H+]3CC[C@H]4CCCO[C@@H]4C3)[nH]c2c1 ZINC001249426713 805146625 /nfs/dbraw/zinc/14/66/25/805146625.db2.gz DBTINCKJNZAILM-RDTXWAMCSA-N 1 1 295.386 3.040 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(CN(C(=O)C3(C)CCCC3)C2)C1 ZINC001147998091 805160050 /nfs/dbraw/zinc/16/00/50/805160050.db2.gz ZOTUSEMCNGOGML-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C#CC[N@H+](C)Cc1cccc(Oc2ccc(O)cc2)c1 ZINC001249503712 805160962 /nfs/dbraw/zinc/16/09/62/805160962.db2.gz CZGUXHGTPBMITM-UHFFFAOYSA-N 1 1 267.328 3.250 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1cc(F)cc2cc[nH]c21 ZINC001249524915 805165396 /nfs/dbraw/zinc/16/53/96/805165396.db2.gz RRXXXCDBLOCITO-UHFFFAOYSA-N 1 1 259.328 3.433 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1cc(F)cc2cc[nH]c21 ZINC001249524915 805165399 /nfs/dbraw/zinc/16/53/99/805165399.db2.gz RRXXXCDBLOCITO-UHFFFAOYSA-N 1 1 259.328 3.433 20 30 CGEDMO N#Cc1ncc(Nc2cc[nH+]cc2C(F)(F)F)cc1Cl ZINC001249585641 805182292 /nfs/dbraw/zinc/18/22/92/805182292.db2.gz AVZVUQVIFNWCLX-UHFFFAOYSA-N 1 1 298.655 3.186 20 30 CGEDMO CCCCCCCNC(=S)NCC[N@@H+](C)CCCC ZINC001249646056 805200398 /nfs/dbraw/zinc/20/03/98/805200398.db2.gz RNDYSCFLSUNAHZ-UHFFFAOYSA-N 1 1 287.517 3.153 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(CN(C(=O)CCCCCC)C2)C1 ZINC001148713218 805205591 /nfs/dbraw/zinc/20/55/91/805205591.db2.gz BVCHJHGZYXRTEB-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO CCN1CCc2ccc(C[N@H+]3CCC[C@H](C#N)CC3)cc21 ZINC001249664615 805206952 /nfs/dbraw/zinc/20/69/52/805206952.db2.gz KFGUHEXBJQSPKO-HNNXBMFYSA-N 1 1 283.419 3.195 20 30 CGEDMO Cc1cc(Nc2c(C)cc(C#N)cc2C)c[nH+]c1N ZINC001249789242 805248014 /nfs/dbraw/zinc/24/80/14/805248014.db2.gz XWEZMXFRLUJYCZ-UHFFFAOYSA-N 1 1 252.321 3.204 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1cccc(C)c1 ZINC001151684842 805306811 /nfs/dbraw/zinc/30/68/11/805306811.db2.gz KLVYIDSVMUQRSK-OAHLLOKOSA-N 1 1 274.408 3.011 20 30 CGEDMO CN(C)c1cc(F)cc(C[N@H+]2CCC[C@H](C#N)CC2)c1 ZINC001249955609 805324258 /nfs/dbraw/zinc/32/42/58/805324258.db2.gz OUNYJGWTNGCDLB-ZDUSSCGKSA-N 1 1 275.371 3.017 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)C(F)=C(C)C ZINC001152706387 805365002 /nfs/dbraw/zinc/36/50/02/805365002.db2.gz GSDHXQSDSZMRCN-CYBMUJFWSA-N 1 1 270.392 3.043 20 30 CGEDMO C#CCCCC(=O)NC[C@@H](C)[N@H+](CC)CC/C=C\CCC ZINC001153025409 805380511 /nfs/dbraw/zinc/38/05/11/805380511.db2.gz VMUOIAQQFHKDHA-QXPKXGMISA-N 1 1 292.467 3.363 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)CCC[C@H](C)CCC ZINC001153566951 805403177 /nfs/dbraw/zinc/40/31/77/805403177.db2.gz OXQXGYGXRUYQII-IAGOWNOFSA-N 1 1 294.483 3.443 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)C(C)C ZINC001153580558 805404494 /nfs/dbraw/zinc/40/44/94/805404494.db2.gz INLNYTIGLVMHHU-OAHLLOKOSA-N 1 1 282.472 3.461 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)CC(F)F ZINC001153783769 805415007 /nfs/dbraw/zinc/41/50/07/805415007.db2.gz PTCAOERNSKLHJA-OLZOCXBDSA-N 1 1 290.398 3.071 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)C1(CC(C)C)CC1 ZINC001153779647 805415123 /nfs/dbraw/zinc/41/51/23/805415123.db2.gz DTPAZEIFQRZTFI-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1c(C)oc(C)c1C ZINC001154225151 805442559 /nfs/dbraw/zinc/44/25/59/805442559.db2.gz IDDHTERWRQWMSR-GFCCVEGCSA-N 1 1 292.423 3.221 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001154431760 805456704 /nfs/dbraw/zinc/45/67/04/805456704.db2.gz SYYHZEZLROOLDP-LTIDMASMSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C1(C)CCCC1 ZINC001154515641 805462256 /nfs/dbraw/zinc/46/22/56/805462256.db2.gz BNLQEQUTVMFNAF-CYBMUJFWSA-N 1 1 286.847 3.146 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C1(C)CCCC1 ZINC001154515641 805462263 /nfs/dbraw/zinc/46/22/63/805462263.db2.gz BNLQEQUTVMFNAF-CYBMUJFWSA-N 1 1 286.847 3.146 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)C[C@@H]1CC=CCC1 ZINC001154631018 805469526 /nfs/dbraw/zinc/46/95/26/805469526.db2.gz GHHCKMNDAJVQKA-HZPDHXFCSA-N 1 1 278.440 3.136 20 30 CGEDMO CC#CCCCC(=O)NC[C@@H](C)[N@@H+](CC)CCC(C)C ZINC001154750889 805482725 /nfs/dbraw/zinc/48/27/25/805482725.db2.gz FFEGLDAYQDJZDK-MRXNPFEDSA-N 1 1 280.456 3.053 20 30 CGEDMO CCN(Cc1ccccc1O)c1[nH+]c(C)ccc1CC#N ZINC001154890631 805506076 /nfs/dbraw/zinc/50/60/76/805506076.db2.gz GWYITROHEVGRMA-UHFFFAOYSA-N 1 1 281.359 3.188 20 30 CGEDMO C=CCCCC(=O)NC[C@@H](C)[N@@H+](CC)CC=C(C)C ZINC001154927570 805510200 /nfs/dbraw/zinc/51/02/00/805510200.db2.gz NMNSFBQORIODPB-OAHLLOKOSA-N 1 1 266.429 3.136 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(Cl)[nH]1 ZINC001155096494 805538972 /nfs/dbraw/zinc/53/89/72/805538972.db2.gz MZOYBHOPEVQCTO-GFCCVEGCSA-N 1 1 297.830 3.075 20 30 CGEDMO N#Cc1ccc(C2CCC([N@H+]3CCCC[C@@H](O)C3)CC2)cc1 ZINC001257017576 807027392 /nfs/dbraw/zinc/02/73/92/807027392.db2.gz WJANXMNSDAYAKD-CTWPCTMYSA-N 1 1 298.430 3.431 20 30 CGEDMO C=CCCCC[N@H+](C)[C@H]1CC[C@@H](C(=O)OCC)C1 ZINC001257062661 807038116 /nfs/dbraw/zinc/03/81/16/807038116.db2.gz FLDYFODLGVRZHY-KGLIPLIRSA-N 1 1 253.386 3.006 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)Cc2ccc(C(=O)OCC)cc2)C1 ZINC001257165914 807057418 /nfs/dbraw/zinc/05/74/18/807057418.db2.gz XDOYZECSHLCWSJ-HZPDHXFCSA-N 1 1 299.414 3.140 20 30 CGEDMO C=CCN1CC[C@@]2(CCC[N@H+]([C@@H](CC)CCC)C2)C1=O ZINC001257258619 807073799 /nfs/dbraw/zinc/07/37/99/807073799.db2.gz FAKNWXKZAVJDIR-DOTOQJQBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1[C@H](CC)CCC ZINC001257263607 807078115 /nfs/dbraw/zinc/07/81/15/807078115.db2.gz UOYQCZOFNLHGSZ-ZBFHGGJFSA-N 1 1 291.439 3.101 20 30 CGEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](C1CCCC1)C2 ZINC001257349895 807117492 /nfs/dbraw/zinc/11/74/92/807117492.db2.gz FIMWOCZYLIOHSD-IAGOWNOFSA-N 1 1 279.424 3.003 20 30 CGEDMO CCCC[C@H](CC)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001257418469 807146233 /nfs/dbraw/zinc/14/62/33/807146233.db2.gz DKMIPSBJGNMVDG-STQMWFEESA-N 1 1 253.411 3.229 20 30 CGEDMO CCC#C[C@H](C)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001167518724 807202515 /nfs/dbraw/zinc/20/25/15/807202515.db2.gz ZJNFEHDEPYARSF-ZWKOTPCHSA-N 1 1 284.447 3.385 20 30 CGEDMO CCC#C[C@H](C)[N@@H+]1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC001167518724 807202520 /nfs/dbraw/zinc/20/25/20/807202520.db2.gz ZJNFEHDEPYARSF-ZWKOTPCHSA-N 1 1 284.447 3.385 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC001167518724 807202524 /nfs/dbraw/zinc/20/25/24/807202524.db2.gz ZJNFEHDEPYARSF-ZWKOTPCHSA-N 1 1 284.447 3.385 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@H+](C(C)C)C2CCC2)cc1 ZINC001167681047 807226458 /nfs/dbraw/zinc/22/64/58/807226458.db2.gz OVMCQJAYQLLTEJ-UHFFFAOYSA-N 1 1 284.403 3.259 20 30 CGEDMO C=C1C[C@@H]2CC([NH2+]C3(C(=O)OC)CCCC3)C[C@H](C1)C2 ZINC001257886422 807237828 /nfs/dbraw/zinc/23/78/28/807237828.db2.gz FUYVCFOFBNZCCK-YIONKMFJSA-N 1 1 277.408 3.197 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3C[C@@H](CO)CC[C@H]3C)C[C@H](C1)C2 ZINC001257892191 807243047 /nfs/dbraw/zinc/24/30/47/807243047.db2.gz VFBXGELESWWFLE-VPEURPPWSA-N 1 1 263.425 3.214 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CCC[C@H]3C(C)(C)O)C[C@H](C1)C2 ZINC001257894900 807243571 /nfs/dbraw/zinc/24/35/71/807243571.db2.gz BVMGUNXSZUKWOK-QXULXFAOSA-N 1 1 263.425 3.357 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CC[C@H](N(C)C4CC4)C3)C[C@H](C1)C2 ZINC001257894212 807243819 /nfs/dbraw/zinc/24/38/19/807243819.db2.gz NOWYIQQNTCMEFA-HZSIZEEPSA-N 1 1 274.452 3.290 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCC[C@@H](NC(=O)CC)C3)C[C@H](C1)C2 ZINC001257894207 807244203 /nfs/dbraw/zinc/24/42/03/807244203.db2.gz NNEHZLVDHZSMIH-LVYZTWJOSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCC[C@H](C(=O)OC)[C@@H]3C)C[C@H](C1)C2 ZINC001257895010 807245252 /nfs/dbraw/zinc/24/52/52/807245252.db2.gz HIONUBWRYFCRKG-REOARJMMSA-N 1 1 291.435 3.395 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCC[C@@H](C(C)=O)C3)C[C@H](C1)C2 ZINC001257895147 807245622 /nfs/dbraw/zinc/24/56/22/807245622.db2.gz ISDSQCAZUUUJDT-LVYZTWJOSA-N 1 1 261.409 3.422 20 30 CGEDMO CCOC(=O)CC1CCC([N@H+]2CCC[C@H](CC#N)C2)CC1 ZINC001258036355 807269833 /nfs/dbraw/zinc/26/98/33/807269833.db2.gz UMQDNMVQCNHDDP-HWOWSKLDSA-N 1 1 292.423 3.124 20 30 CGEDMO CCCCCCC[C@@H](C)[NH2+]CC1CCN(C2COC2)CC1 ZINC001258043200 807273646 /nfs/dbraw/zinc/27/36/46/807273646.db2.gz LRQYBAWLQZNDAP-MRXNPFEDSA-N 1 1 296.499 3.436 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC001258049331 807275368 /nfs/dbraw/zinc/27/53/68/807275368.db2.gz FDIKGHGNHIYSJZ-HOCLYGCPSA-N 1 1 282.428 3.310 20 30 CGEDMO CCCCCCC[C@@H](C)[N@@H+](C)CCC1OCCO1 ZINC001258049184 807275633 /nfs/dbraw/zinc/27/56/33/807275633.db2.gz AZEWHJMDNVMHDI-CQSZACIVSA-N 1 1 257.418 3.430 20 30 CGEDMO CCCCCCC[C@H](C)[N@@H+](C)C1CCS(=O)(=O)CC1 ZINC001258049237 807275848 /nfs/dbraw/zinc/27/58/48/807275848.db2.gz BYBGWCJCGPAWFR-AWEZNQCLSA-N 1 1 289.485 3.244 20 30 CGEDMO CCC[C@](C)(C#N)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167975745 807289908 /nfs/dbraw/zinc/28/99/08/807289908.db2.gz VIZFIDSCBYFTAH-NPYXIHBLSA-N 1 1 275.440 3.064 20 30 CGEDMO CC(C)=CCC[C@H](C)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001258088266 807299893 /nfs/dbraw/zinc/29/98/93/807299893.db2.gz KRVGZRQGXGVOFM-JSGCOSHPSA-N 1 1 265.422 3.395 20 30 CGEDMO C[C@H](Cc1ccco1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001258197328 807358294 /nfs/dbraw/zinc/35/82/94/807358294.db2.gz FNBKKBBLOFIDGP-CYBMUJFWSA-N 1 1 254.333 3.214 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)CCc2ccc(OC)cc2)C1 ZINC001258408956 807443472 /nfs/dbraw/zinc/44/34/72/807443472.db2.gz PGDMYPRKWPYRRW-HZPDHXFCSA-N 1 1 271.404 3.362 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@H](C)CC1CC1)CC2 ZINC001258465745 807466949 /nfs/dbraw/zinc/46/69/49/807466949.db2.gz NKJUMDOTCSLIKG-QAPCUYQASA-N 1 1 290.451 3.208 20 30 CGEDMO CCC[N@@H+](CCC#N)C1CCN(c2ccccc2)CC1 ZINC001258511606 807481778 /nfs/dbraw/zinc/48/17/78/807481778.db2.gz IIJVGUUCEUNJLQ-UHFFFAOYSA-N 1 1 271.408 3.281 20 30 CGEDMO C[C@@H](Cc1cccnc1)[N@H+](CCC#N)Cc1ccccc1 ZINC001258621207 807514091 /nfs/dbraw/zinc/51/40/91/807514091.db2.gz YQYAAABMHGPGBI-INIZCTEOSA-N 1 1 279.387 3.428 20 30 CGEDMO C[C@@H](Cc1cccnc1)[N@@H+](CCC#N)Cc1ccccc1 ZINC001258621207 807514097 /nfs/dbraw/zinc/51/40/97/807514097.db2.gz YQYAAABMHGPGBI-INIZCTEOSA-N 1 1 279.387 3.428 20 30 CGEDMO C=CCn1ccc2c1nc[nH+]c2N[C@H](C)c1ccc(C)cn1 ZINC001168850324 807526731 /nfs/dbraw/zinc/52/67/31/807526731.db2.gz IKSSOXRTYFSLAZ-CYBMUJFWSA-N 1 1 293.374 3.494 20 30 CGEDMO CCCCCCC[C@@H](CC(C)C)[N@H+]1CCO[C@H](CO)C1 ZINC001258714016 807565199 /nfs/dbraw/zinc/56/51/99/807565199.db2.gz GBVZQSPUJCDYNS-IRXDYDNUSA-N 1 1 285.472 3.455 20 30 CGEDMO CCCCCCC[C@H](CC(C)C)[N@@H+](C)CC(=O)NC ZINC001258714527 807565719 /nfs/dbraw/zinc/56/57/19/807565719.db2.gz PVIIZZIGIWJFKJ-OAHLLOKOSA-N 1 1 270.461 3.439 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCC[C@@](O)(C(F)(F)F)C1 ZINC001258724644 807572236 /nfs/dbraw/zinc/57/22/36/807572236.db2.gz BLSNYIUSWVDACM-NEPJUHHUSA-N 1 1 265.319 3.120 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC001258724865 807573122 /nfs/dbraw/zinc/57/31/22/807573122.db2.gz FJUKDGSDKFGXEG-VXGBXAGGSA-N 1 1 265.319 3.120 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001258725556 807573445 /nfs/dbraw/zinc/57/34/45/807573445.db2.gz MHAHDTDBAMCCAP-SRVKXCTJSA-N 1 1 283.309 3.068 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)CCc1noc(C(C)C)n1 ZINC001258726916 807575081 /nfs/dbraw/zinc/57/50/81/807575081.db2.gz YPDCZOAYXSSFID-LBPRGKRZSA-N 1 1 251.374 3.022 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1Cc2cnn(CC)c2[C@@H](COCC)C1 ZINC001258729686 807576339 /nfs/dbraw/zinc/57/63/39/807576339.db2.gz XFUNYEJBBFFAOL-GDBMZVCRSA-N 1 1 291.439 3.193 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCC[C@H](C(=O)OCC)C1 ZINC001258731988 807577742 /nfs/dbraw/zinc/57/77/42/807577742.db2.gz GXQQAQDBRMLGTC-KBPBESRZSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CCc2cccc(C(=O)OC)c2C1 ZINC001258732820 807579533 /nfs/dbraw/zinc/57/95/33/807579533.db2.gz CENYMVUKVOTFQK-CYBMUJFWSA-N 1 1 273.376 3.186 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H](Oc2ccncc2)C1 ZINC001258735742 807582318 /nfs/dbraw/zinc/58/23/18/807582318.db2.gz AQLUGPVCZOAMEQ-ZBFHGGJFSA-N 1 1 260.381 3.280 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC001261436118 807745708 /nfs/dbraw/zinc/74/57/08/807745708.db2.gz QHSGQMAOCNAKHE-ZDUSSCGKSA-N 1 1 296.399 3.343 20 30 CGEDMO C[C@@H]1C[N@H+](C[C@@]2(C)C[C@@H]2c2ccccc2)C[C@H](C)N1CC#N ZINC001262112209 807825161 /nfs/dbraw/zinc/82/51/61/807825161.db2.gz BPSMNBLISNPHDN-UKBAYJJMSA-N 1 1 297.446 3.098 20 30 CGEDMO N#CC1(c2ccccc2)CCC([N@H+]2CC[C@H](F)C2)CC1 ZINC001170379415 807833253 /nfs/dbraw/zinc/83/32/53/807833253.db2.gz XOLIVBQGCQBERJ-GTPINHCMSA-N 1 1 272.367 3.434 20 30 CGEDMO CC[C@H]([NH2+]Cc1cnc(C)s1)c1cccc(C#N)c1O ZINC001262198024 807836408 /nfs/dbraw/zinc/83/64/08/807836408.db2.gz DJSKFOJBGUKSKY-AWEZNQCLSA-N 1 1 287.388 3.270 20 30 CGEDMO C[C@H](Nc1cnccc1C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001262689726 807896699 /nfs/dbraw/zinc/89/66/99/807896699.db2.gz IGXXVLVUVSQMGW-ZFWWWQNUSA-N 1 1 284.407 3.018 20 30 CGEDMO C=CCCCC[N@@H+]1C[C@@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC001170891701 807927179 /nfs/dbraw/zinc/92/71/79/807927179.db2.gz FYFJBMVJISPYOT-IAGOWNOFSA-N 1 1 287.403 3.231 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@H]1CCc2cccc(F)c2C1 ZINC001171000845 807955912 /nfs/dbraw/zinc/95/59/12/807955912.db2.gz LYIGCOYYMWLEFM-AWEZNQCLSA-N 1 1 260.356 3.309 20 30 CGEDMO Cn1c[nH+]c2cc(NC3=CC[C@H](C#N)CC3)ccc21 ZINC001212862248 815163952 /nfs/dbraw/zinc/16/39/52/815163952.db2.gz FWXKLIMONLTLMY-NSHDSACASA-N 1 1 252.321 3.193 20 30 CGEDMO C=CCCC[N@H+]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC001171118993 807990802 /nfs/dbraw/zinc/99/08/02/807990802.db2.gz LUSWESCZNBVPFE-MRXNPFEDSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C1(CC)CCCCC1 ZINC001263821161 808008248 /nfs/dbraw/zinc/00/82/48/808008248.db2.gz NNOLHJWLAWWGJX-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)CCc1ccccn1 ZINC001171204070 808009948 /nfs/dbraw/zinc/00/99/48/808009948.db2.gz SGMFBJKRGYCVNR-OAHLLOKOSA-N 1 1 279.387 3.059 20 30 CGEDMO C=CCOCC[N@@H+]1CC[C@H](c2ccccc2)C1(C)C ZINC001171276649 808016729 /nfs/dbraw/zinc/01/67/29/808016729.db2.gz MFSGDVSSUGRCGU-MRXNPFEDSA-N 1 1 259.393 3.457 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CCC(C)C)C(C)(C)[C@H]21 ZINC001264030640 808030349 /nfs/dbraw/zinc/03/03/49/808030349.db2.gz UJDKZBLAPFJPMC-PVAVHDDUSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@H]1CC[N@@H+](C/C=C\Cl)[C@@H]1CC ZINC001264060451 808031139 /nfs/dbraw/zinc/03/11/39/808031139.db2.gz BOUCSLNUOIRBOW-WRGNIKGISA-N 1 1 298.858 3.310 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1C[C@@H]2C[N@H+](CC(C)C)CC[C@@H]2C1 ZINC001264094314 808035463 /nfs/dbraw/zinc/03/54/63/808035463.db2.gz CXQDWIGESIMQJA-ZACQAIPSSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)C2CC2)CC(C)(C)C1 ZINC001264197305 808047100 /nfs/dbraw/zinc/04/71/00/808047100.db2.gz ZCVJQWDKPOINKB-GOEBONIOSA-N 1 1 292.467 3.215 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171490665 808073988 /nfs/dbraw/zinc/07/39/88/808073988.db2.gz ZCKMITJXMYZIHK-AWEZNQCLSA-N 1 1 278.346 3.448 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)[C@@H]1CC ZINC001264603224 808080597 /nfs/dbraw/zinc/08/05/97/808080597.db2.gz ZJYYMPMNTOZNKA-JKSUJKDBSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1CC[N@H+](CC(=C)Cl)[C@@H]1CC ZINC001264617410 808081116 /nfs/dbraw/zinc/08/11/16/808081116.db2.gz MTQGIDLBBHNVBB-LZWOXQAQSA-N 1 1 298.858 3.310 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1CC[N@@H+](CC(=C)Cl)[C@@H]1CC ZINC001264617410 808081122 /nfs/dbraw/zinc/08/11/22/808081122.db2.gz MTQGIDLBBHNVBB-LZWOXQAQSA-N 1 1 298.858 3.310 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@@H+](Cc2cccc(C)c2)[C@@H]1C ZINC001264693174 808086321 /nfs/dbraw/zinc/08/63/21/808086321.db2.gz GKAPIIJZPUHFHN-WBVHZDCISA-N 1 1 286.419 3.040 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C2=CCCCCC2)[C@H]1C ZINC001264697094 808086808 /nfs/dbraw/zinc/08/68/08/808086808.db2.gz KKCGELHLMDYDAH-WBVHZDCISA-N 1 1 290.451 3.422 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)CCCCCC(C)C)[C@H]1C ZINC001264722218 808088320 /nfs/dbraw/zinc/08/83/20/808088320.db2.gz HUIPBRYNLGHBSU-SJORKVTESA-N 1 1 292.467 3.195 20 30 CGEDMO CC#CCCCC(=O)N1CCCC[C@H]1C[N@@H+](C)CC(C)C ZINC001264742642 808089997 /nfs/dbraw/zinc/08/99/97/808089997.db2.gz ASSHDGXOXXUHAM-KRWDZBQOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCCC[C@H]1C[N@H+](C)CC ZINC001264740180 808090375 /nfs/dbraw/zinc/09/03/75/808090375.db2.gz HZMDHIFLUCDDNQ-INIZCTEOSA-N 1 1 278.440 3.088 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H](NC(=O)C(CC)CC)CC(C)(C)C1 ZINC001264749881 808092080 /nfs/dbraw/zinc/09/20/80/808092080.db2.gz NCKLHUHGOMLNEF-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO Cc1cccc2c1CC[C@H]([N@H+]1CCC3SC(=O)C=C3C1)C2 ZINC001171567904 808098350 /nfs/dbraw/zinc/09/83/50/808098350.db2.gz WPTSNHXPXMGFSL-RDJZCZTQSA-N 1 1 299.439 3.126 20 30 CGEDMO C=CC(C)(C)C(=O)NCCC[N@H+](C)CC1CCC(C)CC1 ZINC001265021077 808103219 /nfs/dbraw/zinc/10/32/19/808103219.db2.gz DKSAIZLRQSQNAN-UHFFFAOYSA-N 1 1 294.483 3.463 20 30 CGEDMO Cc1cccc2c1CC[C@@H]([N@H+]1CC[C@@](C)(C#N)C1)C2 ZINC001171577891 808103481 /nfs/dbraw/zinc/10/34/81/808103481.db2.gz IIRYSFARBFGJQL-WBVHZDCISA-N 1 1 254.377 3.088 20 30 CGEDMO C=C(C)C[N@H+](C)CCCNC(=O)C[C@H]1CCCC[C@H]1C ZINC001265075293 808107624 /nfs/dbraw/zinc/10/76/24/808107624.db2.gz ZBGNGFIHKZIQLW-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)CCCC)C1 ZINC001265212943 808120627 /nfs/dbraw/zinc/12/06/27/808120627.db2.gz IWHKJNDJHWMGBB-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CCCCCCC(=O)N[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001265296608 808126949 /nfs/dbraw/zinc/12/69/49/808126949.db2.gz AIXPEMLIWAJBDI-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC2CCCCCC2)C1 ZINC001265297621 808127228 /nfs/dbraw/zinc/12/72/28/808127228.db2.gz UPVWMRXLDIBVAJ-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC1(CC(=O)N[C@H]2CC[N@H+](CCCF)C2)CCCCC1 ZINC001265308079 808128395 /nfs/dbraw/zinc/12/83/95/808128395.db2.gz LLVRIOIAIPLCIN-HNNXBMFYSA-N 1 1 296.430 3.063 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](F)C(C)C)C1 ZINC001265393442 808138272 /nfs/dbraw/zinc/13/82/72/808138272.db2.gz YPHUOHPBHCITHK-HOTGVXAUSA-N 1 1 298.446 3.117 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(CC)CC ZINC001265402918 808139871 /nfs/dbraw/zinc/13/98/71/808139871.db2.gz ZYUIDEGEGBLEGW-IYBDPMFKSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@H](C[N@H+](C)CC(=C)C)C1 ZINC001265396607 808140051 /nfs/dbraw/zinc/14/00/51/808140051.db2.gz HEZKDEDYYFOFII-MRXNPFEDSA-N 1 1 292.467 3.335 20 30 CGEDMO C=C/C(C)=C\CC(=O)NC[C@@H]1CCC[N@H+](CCC(=C)C)C1 ZINC001265589206 808158419 /nfs/dbraw/zinc/15/84/19/808158419.db2.gz OEDUFXDWSUAUHA-KZRVJCNKSA-N 1 1 290.451 3.303 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)CCC ZINC001265640722 808162584 /nfs/dbraw/zinc/16/25/84/808162584.db2.gz JITSUBHCIXPZMX-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@H+](C)CCCNC(=O)C[C@@H]1CCCC[C@@H]1C ZINC001265984220 808198854 /nfs/dbraw/zinc/19/88/54/808198854.db2.gz OOAHXAODFNPPPT-HOTGVXAUSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@H+](CC)CCCNC(=O)[C@@H]1CCC[C@@H]1CC ZINC001266080549 808208232 /nfs/dbraw/zinc/20/82/32/808208232.db2.gz LSDPAXKEWSZNBT-JKSUJKDBSA-N 1 1 280.456 3.217 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H](c2cccnc2)C1 ZINC001172307016 808222195 /nfs/dbraw/zinc/22/21/95/808222195.db2.gz MDLIENPCNZCQPW-BEFAXECRSA-N 1 1 291.398 3.374 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@@H](C)C[C@H]1CF ZINC001172308880 808222844 /nfs/dbraw/zinc/22/28/44/808222844.db2.gz AJFYBQNLYLEIPX-XEZPLFJOSA-N 1 1 260.356 3.169 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCN(C)CC12CCCC2 ZINC001172313117 808224731 /nfs/dbraw/zinc/22/47/31/808224731.db2.gz PFXHRIYXAXQUIP-MRXNPFEDSA-N 1 1 297.446 3.049 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)N1CC[N@H+](C)CC12CCCC2 ZINC001172313117 808224734 /nfs/dbraw/zinc/22/47/34/808224734.db2.gz PFXHRIYXAXQUIP-MRXNPFEDSA-N 1 1 297.446 3.049 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)N1CC[N@@H+](C)CC12CCCC2 ZINC001172313117 808224737 /nfs/dbraw/zinc/22/47/37/808224737.db2.gz PFXHRIYXAXQUIP-MRXNPFEDSA-N 1 1 297.446 3.049 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001172318365 808227811 /nfs/dbraw/zinc/22/78/11/808227811.db2.gz FFNDWXWVAMLUMU-SWLSCSKDSA-N 1 1 276.330 3.220 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H](C(F)F)C1 ZINC001172319043 808228637 /nfs/dbraw/zinc/22/86/37/808228637.db2.gz KMQVMCHEUQXHHA-DOMZBBRYSA-N 1 1 278.346 3.466 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)CCCCC(C)(C)C)C1 ZINC001266222082 808229387 /nfs/dbraw/zinc/22/93/87/808229387.db2.gz NHJFGPDVAPHNFL-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO COC(C)(C)[C@H]1CCC[N@H+]1[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172321107 808231005 /nfs/dbraw/zinc/23/10/05/808231005.db2.gz YYEVNLTUGUTFGZ-WMLDXEAASA-N 1 1 286.419 3.379 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCNC(=O)C1(C)CCCCCC1 ZINC001266282981 808236498 /nfs/dbraw/zinc/23/64/98/808236498.db2.gz ZKZWAERSHYQUGY-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001266343880 808245470 /nfs/dbraw/zinc/24/54/70/808245470.db2.gz AMIFIZJDJZTCFF-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)c1ccc(F)c(Cl)c1 ZINC001266412822 808259437 /nfs/dbraw/zinc/25/94/37/808259437.db2.gz AVOZSJOYPHWCPM-UHFFFAOYSA-N 1 1 298.789 3.107 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1C ZINC001266442570 808265344 /nfs/dbraw/zinc/26/53/44/808265344.db2.gz FVEOBUMMNWYPOU-MRXNPFEDSA-N 1 1 286.419 3.155 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H]1CNC(=O)c1cc[nH]c1 ZINC001266464923 808270762 /nfs/dbraw/zinc/27/07/62/808270762.db2.gz LHSMLRRPZBWLMC-INIZCTEOSA-N 1 1 291.439 3.179 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H](CC)C(C)(C)C ZINC001266487989 808273946 /nfs/dbraw/zinc/27/39/46/808273946.db2.gz AFARPYXEVJCXOZ-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC12CC2 ZINC001266483027 808274193 /nfs/dbraw/zinc/27/41/93/808274193.db2.gz MNGNWZSQHZWCCV-JKSUJKDBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@](C)(F)CCCC ZINC001266489998 808275131 /nfs/dbraw/zinc/27/51/31/808275131.db2.gz YBGITHJPKQBLCU-UXLLHSPISA-N 1 1 296.430 3.156 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)c1c(F)cccc1Cl ZINC001266577246 808290017 /nfs/dbraw/zinc/29/00/17/808290017.db2.gz CEZLLNFSNFHHFO-UHFFFAOYSA-N 1 1 298.789 3.107 20 30 CGEDMO C=C(C)CC[N@@H+](CCNC(=O)CC1=CCCCC1)C1CC1 ZINC001266586126 808291545 /nfs/dbraw/zinc/29/15/45/808291545.db2.gz NAGYPBYMIRICJV-UHFFFAOYSA-N 1 1 290.451 3.424 20 30 CGEDMO CC#CC[N@@H+](CCNC(=O)c1ccccc1C(C)C)C1CC1 ZINC001266594124 808293640 /nfs/dbraw/zinc/29/36/40/808293640.db2.gz FIHBMVHKWJJFSU-UHFFFAOYSA-N 1 1 298.430 3.028 20 30 CGEDMO C=C/C(C)=C\CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=C)C ZINC001266651576 808301808 /nfs/dbraw/zinc/30/18/08/808301808.db2.gz CZGLCULAOZKOHK-VMEIPSKVSA-N 1 1 288.435 3.197 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)CCCC1CC1 ZINC001266852902 808323158 /nfs/dbraw/zinc/32/31/58/808323158.db2.gz AZLJFQMOWZVGEV-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO COc1cccc2c1C[N@H+]([C@H](C)CCCC#N)CC2 ZINC001172491383 808351471 /nfs/dbraw/zinc/35/14/71/808351471.db2.gz DZQPZZFRBSLRRG-CYBMUJFWSA-N 1 1 258.365 3.136 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)CCCC)C1 ZINC001267101460 808356873 /nfs/dbraw/zinc/35/68/73/808356873.db2.gz UOHYJUBMNSOKGQ-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]([N@@H+](C)CC2CCCC2)C1 ZINC001267103808 808358406 /nfs/dbraw/zinc/35/84/06/808358406.db2.gz HDIYIRRPCQBCNZ-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001172504312 808361054 /nfs/dbraw/zinc/36/10/54/808361054.db2.gz GKTJIXZJTYYPNP-GDBMZVCRSA-N 1 1 257.381 3.171 20 30 CGEDMO CCCCCCCC[C@H](CC)[N@H+]1CC[C@@H](C(N)=O)C1 ZINC001172505852 808363079 /nfs/dbraw/zinc/36/30/79/808363079.db2.gz WEQRKLQOFAWMDL-CABCVRRESA-N 1 1 268.445 3.323 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@@H](Oc2cccnc2)C1 ZINC001172507280 808363712 /nfs/dbraw/zinc/36/37/12/808363712.db2.gz RTKKJQILKOSRJN-GOEBONIOSA-N 1 1 273.380 3.007 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@@H](C)CCCC#N)cc1OC ZINC001172507829 808364535 /nfs/dbraw/zinc/36/45/35/808364535.db2.gz ZBXRBVOOCDTHQH-ZDUSSCGKSA-N 1 1 276.380 3.218 20 30 CGEDMO CCCCCCC[C@H](CCC)[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC001172507798 808364711 /nfs/dbraw/zinc/36/47/11/808364711.db2.gz BQLSTANXXZOTIR-ULQDDVLXSA-N 1 1 285.472 3.191 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)c1sccc1Cl ZINC001267198166 808379299 /nfs/dbraw/zinc/37/92/99/808379299.db2.gz GQPOXKNTRSMEGI-UHFFFAOYSA-N 1 1 286.828 3.029 20 30 CGEDMO C=CCC[N@H+](C)CCNC(=O)C[C@@H](CC)C(C)(C)C ZINC001267225874 808387317 /nfs/dbraw/zinc/38/73/17/808387317.db2.gz GAURWOYXNXNHKE-CQSZACIVSA-N 1 1 268.445 3.073 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CC)CCNC(=O)[C@H]1CCCC12CC2 ZINC001267245331 808394990 /nfs/dbraw/zinc/39/49/90/808394990.db2.gz DPOBQYTTWGXOLP-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO CCC(CC)C[N@H+]1CCC[C@H]1CNC(=O)C#CC(C)(C)C ZINC001267268053 808400628 /nfs/dbraw/zinc/40/06/28/808400628.db2.gz VOOJBISIBCPIPZ-INIZCTEOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1CCC[N@@H+]1CCC(C)C ZINC001267271687 808401179 /nfs/dbraw/zinc/40/11/79/808401179.db2.gz AGZRGSDSXJXNGE-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO CC#CC[N@H+]1CCC[C@H]1CNC(=O)C[C@@H](C)CC(C)(C)C ZINC001267276265 808402647 /nfs/dbraw/zinc/40/26/47/808402647.db2.gz OJOAKSRGAAIVPQ-CVEARBPZSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H](CCC)CC(C)C)C1 ZINC001267310040 808409821 /nfs/dbraw/zinc/40/98/21/808409821.db2.gz PXXQDVNYOVXAJM-IAGOWNOFSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC001267317058 808413608 /nfs/dbraw/zinc/41/36/08/808413608.db2.gz MRLFPOITVPAZCU-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@H+](CCNC(=O)[C@H]1CCC[C@H](C)C1)C1CC1 ZINC001267331451 808416860 /nfs/dbraw/zinc/41/68/60/808416860.db2.gz HPXDMFFFRSFSOJ-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C1CC(C)(C(=O)NCC[C@H]2CC[N@H+](CCCCC)C2)C1 ZINC001267565614 808448246 /nfs/dbraw/zinc/44/82/46/808448246.db2.gz QOOAUWNJHQSJOO-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)CC(C)=C(C)C)C1 ZINC001267561540 808448453 /nfs/dbraw/zinc/44/84/53/808448453.db2.gz GEWFBNOTMIJLJI-OAHLLOKOSA-N 1 1 298.858 3.314 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[C@@H](C[N@H+](C)CC(=C)C)C1 ZINC001267583194 808453480 /nfs/dbraw/zinc/45/34/80/808453480.db2.gz OFUMXXBXZQTDAF-INIZCTEOSA-N 1 1 290.451 3.111 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)C(C)(C)CC(C)C)C1 ZINC001267596371 808455839 /nfs/dbraw/zinc/45/58/39/808455839.db2.gz YSXVXTNERHMLLT-MRXNPFEDSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)C2CC3(CC3)C2)C1 ZINC001267616759 808458927 /nfs/dbraw/zinc/45/89/27/808458927.db2.gz APXCPTNTEMZWRH-GDBMZVCRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CCC[N@H+](CC=C(C)C)C1 ZINC001267628050 808460543 /nfs/dbraw/zinc/46/05/43/808460543.db2.gz MPRZALLRDQWBQC-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)C(C)(C)CC=C)C1 ZINC001267730940 808478552 /nfs/dbraw/zinc/47/85/52/808478552.db2.gz HLCODAYASJYERZ-GJZGRUSLSA-N 1 1 278.440 3.134 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001267729105 808479024 /nfs/dbraw/zinc/47/90/24/808479024.db2.gz NIYWTGGLOKHQQT-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+](C)CC1CCN(C(=O)CC(CC)CC)CC1 ZINC001267752790 808482668 /nfs/dbraw/zinc/48/26/68/808482668.db2.gz RSXJZWBEZKITIR-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)C2(F)CCCCC2)C1 ZINC001267773607 808488613 /nfs/dbraw/zinc/48/86/13/808488613.db2.gz AALUJHJNZPHNMH-OAHLLOKOSA-N 1 1 296.430 3.158 20 30 CGEDMO C=CCCC(=O)N(CC)[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001267782213 808492367 /nfs/dbraw/zinc/49/23/67/808492367.db2.gz RGYUVGOWPKRKLQ-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCC[N@H+](C)[C@H]1COc2cccc(OC)c2C1 ZINC001173168534 808528944 /nfs/dbraw/zinc/52/89/44/808528944.db2.gz PYGQWVQOQOLOIW-CQSZACIVSA-N 1 1 275.392 3.287 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCC1CCN(C(=O)C=C(C)C)CC1 ZINC001268196640 808554542 /nfs/dbraw/zinc/55/45/42/808554542.db2.gz DLRWIDRKKIZSKG-UHFFFAOYSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)[C@@]1(C)CC=CCC1 ZINC001268239941 808566507 /nfs/dbraw/zinc/56/65/07/808566507.db2.gz TWDRKLQCNUECCN-KRWDZBQOSA-N 1 1 278.440 3.089 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCCC[C@H]1CC ZINC001268254232 808569745 /nfs/dbraw/zinc/56/97/45/808569745.db2.gz MFEQYVFWLSDSMD-HZPDHXFCSA-N 1 1 280.456 3.169 20 30 CGEDMO CCCCCCCC[C@H](CCC)[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC001173309699 808606116 /nfs/dbraw/zinc/60/61/16/808606116.db2.gz JSAPXVPIVGQTSB-JKSUJKDBSA-N 1 1 298.471 3.092 20 30 CGEDMO C=CCOC1CCC([N@H+]2CCc3occc3C2)CC1 ZINC001173326571 808612641 /nfs/dbraw/zinc/61/26/41/808612641.db2.gz KYOBBJVPOXPKIN-UHFFFAOYSA-N 1 1 261.365 3.152 20 30 CGEDMO C=CCOC1CCC([N@H+]2CCC[C@H]2c2cnccn2)CC1 ZINC001173327244 808612712 /nfs/dbraw/zinc/61/27/12/808612712.db2.gz KOEBXIKAXVFKRA-DQPZFDDXSA-N 1 1 287.407 3.127 20 30 CGEDMO C=CCOC1CCC(N2CC[N@H+](C)CC23CCCC3)CC1 ZINC001173325416 808613030 /nfs/dbraw/zinc/61/30/30/808613030.db2.gz MFJPRZLNDBJXLC-UHFFFAOYSA-N 1 1 292.467 3.060 20 30 CGEDMO COC(=O)[C@H]([NH2+]C1CCC(CC#N)CC1)C1CCCCC1 ZINC001173324738 808613178 /nfs/dbraw/zinc/61/31/78/808613178.db2.gz VINYRTMPEDOBLA-AVVWSFFYSA-N 1 1 292.423 3.170 20 30 CGEDMO Cc1coc(Nc2ccc3[nH]c(C)[nH+]c3c2)c1C#N ZINC001213073530 815222348 /nfs/dbraw/zinc/22/23/48/815222348.db2.gz PGHAGOJSZVTIFB-UHFFFAOYSA-N 1 1 252.277 3.388 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc(C)s1 ZINC001268719119 808615080 /nfs/dbraw/zinc/61/50/80/808615080.db2.gz GTZRLDNTKUFVLR-CHWSQXEVSA-N 1 1 294.464 3.461 20 30 CGEDMO N#CCC1CCC([N@H+]2CCCC[C@@H]2CN2CCCC2)CC1 ZINC001173335763 808617625 /nfs/dbraw/zinc/61/76/25/808617625.db2.gz XOAMEFRSBXNNER-DAWZGUTISA-N 1 1 289.467 3.409 20 30 CGEDMO N#CCC1CCC(N2CCCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC001173335763 808617631 /nfs/dbraw/zinc/61/76/31/808617631.db2.gz XOAMEFRSBXNNER-DAWZGUTISA-N 1 1 289.467 3.409 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)C1CC2(CCC2)C1 ZINC001268744301 808622170 /nfs/dbraw/zinc/62/21/70/808622170.db2.gz URQRSLVOJWMUIX-HUUCEWRRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(F)cc1C ZINC001268754180 808623708 /nfs/dbraw/zinc/62/37/08/808623708.db2.gz ZZFXMCCKUGKDPQ-CQSZACIVSA-N 1 1 292.398 3.150 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC001268960388 808638380 /nfs/dbraw/zinc/63/83/80/808638380.db2.gz OGISGOXXBZQDJN-NJAFHUGGSA-N 1 1 298.430 3.074 20 30 CGEDMO COC(=O)CCCC[C@@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001173461566 808642108 /nfs/dbraw/zinc/64/21/08/808642108.db2.gz OZIQGDBXTWWNQB-CQSZACIVSA-N 1 1 288.391 3.112 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)C=C2CCC2)C1 ZINC001269014496 808642905 /nfs/dbraw/zinc/64/29/05/808642905.db2.gz PZGSNXIBGPHGRY-INIZCTEOSA-N 1 1 278.440 3.258 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)CC(C)(C)C)C1 ZINC001269092369 808647345 /nfs/dbraw/zinc/64/73/45/808647345.db2.gz ZTWWJKBPENHJKH-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CCOC[C@H]2Cc2ccccc2)CC1 ZINC001173601218 808652658 /nfs/dbraw/zinc/65/26/58/808652658.db2.gz QFSCWBSPJVVGFQ-JLAWEPINSA-N 1 1 298.430 3.402 20 30 CGEDMO C=CC[N@H+]([C@H]1CC[C@H](CC(=O)OCC)C1)C(C)(C)C ZINC001173662045 808661105 /nfs/dbraw/zinc/66/11/05/808661105.db2.gz UYZIDHFUHPKOJD-KBPBESRZSA-N 1 1 267.413 3.395 20 30 CGEDMO C=CC[N@@H+](C1CCN(CC(F)(F)F)CC1)C(C)(C)C ZINC001173674353 808662394 /nfs/dbraw/zinc/66/23/94/808662394.db2.gz IJCGPZIWXHVVDP-UHFFFAOYSA-N 1 1 278.362 3.300 20 30 CGEDMO C=CCC1(C(=O)N(C)[C@@H]2CC[N@H+](CCCCC)C2)CCC1 ZINC001269275062 808663298 /nfs/dbraw/zinc/66/32/98/808663298.db2.gz QOOUQOAKDNYCTK-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCCC(=O)N(CC)[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001269345632 808671327 /nfs/dbraw/zinc/67/13/27/808671327.db2.gz SLWOUZZLXPPOAL-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)C[C@@H](C)CCC)C1 ZINC001270556468 808735317 /nfs/dbraw/zinc/73/53/17/808735317.db2.gz DVOSNLHBTLKKLJ-DOTOQJQBSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)CCCC(C)C)C1 ZINC001270991600 808757362 /nfs/dbraw/zinc/75/73/62/808757362.db2.gz PQFAIDWCSXJYSY-SFHVURJKSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)c1cscc1C ZINC001271988782 808792062 /nfs/dbraw/zinc/79/20/62/808792062.db2.gz CAPHLFRLONVUHE-AWEZNQCLSA-N 1 1 294.464 3.415 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2C/C=C\Cl ZINC001272032976 808793885 /nfs/dbraw/zinc/79/38/85/808793885.db2.gz GSQUNQJHWYBDIF-FVGUCBIESA-N 1 1 296.842 3.161 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CC1 ZINC001272045161 808794572 /nfs/dbraw/zinc/79/45/72/808794572.db2.gz UJQNPRGNHLUKSM-CVEARBPZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C3CCCC3)CC[C@@H]21 ZINC001272193147 808799899 /nfs/dbraw/zinc/79/98/99/808799899.db2.gz GHYHIWFGYKTTNO-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C3(C)CCC3)CC[C@H]21 ZINC001272215645 808800750 /nfs/dbraw/zinc/80/07/50/808800750.db2.gz ITOXSQKIGQXUNL-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCN1CC[C@@]2(CCC[N@@H+](CC3CCCC3)CC2)C1=O ZINC001272500074 808814739 /nfs/dbraw/zinc/81/47/39/808814739.db2.gz QUDZYVWXQCNRMA-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@]2(CCN([C@@H](C)CC)C2=O)C1 ZINC001272699899 808821841 /nfs/dbraw/zinc/82/18/41/808821841.db2.gz PGQWTYUZAKELPB-FUHWJXTLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@]2(CCN([C@H](C)CC)C2=O)C1 ZINC001272699898 808822151 /nfs/dbraw/zinc/82/21/51/808822151.db2.gz PGQWTYUZAKELPB-AEFFLSMTSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC)CCCC)CC1 ZINC001273394099 808841979 /nfs/dbraw/zinc/84/19/79/808841979.db2.gz WRAHIMRBTIGTNJ-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001273530650 808852334 /nfs/dbraw/zinc/85/23/34/808852334.db2.gz SGIJYXYQDCJUBF-BRWVUGGUSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@H+](CCC)[C@@H](C)C1 ZINC001274622216 808880024 /nfs/dbraw/zinc/88/00/24/808880024.db2.gz BIGSHWIFHQMXBM-GOEBONIOSA-N 1 1 278.440 3.134 20 30 CGEDMO C#CCCCCC(=O)N1CCC(C[N@H+](CC)CCC)CC1 ZINC001274945439 808894120 /nfs/dbraw/zinc/89/41/20/808894120.db2.gz LPARRFUDFBHHAF-UHFFFAOYSA-N 1 1 292.467 3.151 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)C1(C)CC1 ZINC001275107540 808909322 /nfs/dbraw/zinc/90/93/22/808909322.db2.gz DQOVYDLZYDFEIK-LSDHHAIUSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCC(=O)N1CCC([C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001275184124 808920343 /nfs/dbraw/zinc/92/03/43/808920343.db2.gz LJNXISVJYMQGGC-QGZVFWFLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC(=O)N[C@@H](C)C[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC001275521096 808944538 /nfs/dbraw/zinc/94/45/38/808944538.db2.gz MOOIVCQXZLUUMH-INIZCTEOSA-N 1 1 288.435 3.206 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)c1cc(Cl)cs1 ZINC001275946220 808978949 /nfs/dbraw/zinc/97/89/49/808978949.db2.gz RQLYQUJJDXMKAH-JTQLQIEISA-N 1 1 286.828 3.028 20 30 CGEDMO C#Cc1ccc(NC2=CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC001174394167 808992270 /nfs/dbraw/zinc/99/22/70/808992270.db2.gz DHLKRHIIZQTNME-UHFFFAOYSA-N 1 1 289.382 3.265 20 30 CGEDMO C[N@H+]1CCC[C@@]2(CCCN(Cc3ccccc3CC#N)C2)C1 ZINC001276242658 808996175 /nfs/dbraw/zinc/99/61/75/808996175.db2.gz QZDNQTQVRWHIMP-LJQANCHMSA-N 1 1 297.446 3.060 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)C(C)C ZINC001276299011 809000209 /nfs/dbraw/zinc/00/02/09/809000209.db2.gz FOWNCNQSHGGYLJ-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]1CNC(=O)C1CCC2(CC2)CC1 ZINC001276892337 809041776 /nfs/dbraw/zinc/04/17/76/809041776.db2.gz QJZGGBNDWMXSRL-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC001276893051 809042555 /nfs/dbraw/zinc/04/25/55/809042555.db2.gz WNDGGKHDQSAVGA-JFIYKMOQSA-N 1 1 292.467 3.338 20 30 CGEDMO C=CCCC(=O)N1CC[C@]2(CC[N@H+](CCCCCC)C2)C1 ZINC001277509639 809078145 /nfs/dbraw/zinc/07/81/45/809078145.db2.gz OIFFQJCGJCSGAS-SFHVURJKSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)CC)C1 ZINC001278364337 809128726 /nfs/dbraw/zinc/12/87/26/809128726.db2.gz VHANYFNCDONWHK-WBVHZDCISA-N 1 1 280.456 3.360 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H](F)CC)C1 ZINC001278413780 809131010 /nfs/dbraw/zinc/13/10/10/809131010.db2.gz KHHCZDOVDJQYQW-GOEBONIOSA-N 1 1 286.435 3.286 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)CC(C)(C)C3CC3)CCC[C@@H]12 ZINC001278445016 809134838 /nfs/dbraw/zinc/13/48/38/809134838.db2.gz HRKVPBDAEPHSOI-QAPCUYQASA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C=C2CCC2)[C@H]1C ZINC001278505373 809138719 /nfs/dbraw/zinc/13/87/19/809138719.db2.gz JDRNHGRCPQHYND-GDBMZVCRSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCCCC(=O)NC[C@]1(C)CCC[N@H+](CC(C)C)C1 ZINC001278678574 809151686 /nfs/dbraw/zinc/15/16/86/809151686.db2.gz RYAQWIPNAZQEKL-KRWDZBQOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)C1CC2(CCC2)C1)C(C)C ZINC001278918593 809155776 /nfs/dbraw/zinc/15/57/76/809155776.db2.gz SHXFYUHEOANYOD-UHFFFAOYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC(=C)C ZINC001279564451 809174681 /nfs/dbraw/zinc/17/46/81/809174681.db2.gz DZKWFKQMFASEKJ-HZPDHXFCSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](CC)CC(C)C ZINC001279585789 809176353 /nfs/dbraw/zinc/17/63/53/809176353.db2.gz DDGHGUZGOHURNF-IXDOHACOSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CC[C@H]1CC[N@H+](C[Si](C)(C)c2ccccc2)C1 ZINC001174890556 809191571 /nfs/dbraw/zinc/19/15/71/809191571.db2.gz JGSZZFZUJQEXPC-HNNXBMFYSA-N 1 1 259.469 3.039 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2c[nH]c(=O)c3ccccc23)C1 ZINC001174891189 809192545 /nfs/dbraw/zinc/19/25/45/809192545.db2.gz QDVHLNWNHWCHPW-ZDUSSCGKSA-N 1 1 268.360 3.338 20 30 CGEDMO C=C1CC(C)(C(=O)N(C)CCC[N@@H+](C)CC=C(C)C)C1 ZINC001280857473 809201955 /nfs/dbraw/zinc/20/19/55/809201955.db2.gz SSIQFRRSTCYXQY-UHFFFAOYSA-N 1 1 278.440 3.089 20 30 CGEDMO C#CCCCCC(=O)N[C@H]1CC[N@@H+](CCCC=C)[C@H](C)C1 ZINC001281660421 809216590 /nfs/dbraw/zinc/21/65/90/809216590.db2.gz XEYVTOCBPMRKOT-SJORKVTESA-N 1 1 290.451 3.115 20 30 CGEDMO C#CCCCCC(=O)N1CCC[C@@H]1C[N@H+](C)C[C@H](C)CC ZINC001281927619 809223567 /nfs/dbraw/zinc/22/35/67/809223567.db2.gz AFJHXBDJKRHPLN-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1C ZINC001281953577 809225264 /nfs/dbraw/zinc/22/52/64/809225264.db2.gz YSXDYDLWNZMHSZ-IXDOHACOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)CCC(C)C)C(C)(C)C1 ZINC001282786022 809262513 /nfs/dbraw/zinc/26/25/13/809262513.db2.gz DHCOCSPYSHTNKJ-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1C[N@H+](C[C@@H](C)CC)CC1(C)C ZINC001282812377 809264022 /nfs/dbraw/zinc/26/40/22/809264022.db2.gz VEGNNQGGXRCSSQ-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCCC)C[C@@H]2C1 ZINC001282938039 809266803 /nfs/dbraw/zinc/26/68/03/809266803.db2.gz JBSHEJRWKGTECJ-ZNMIVQPWSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC([N@H+](C)C[C@H](F)CC)CC1 ZINC001283324767 809275745 /nfs/dbraw/zinc/27/57/45/809275745.db2.gz DWUTWYJSSMDJBS-PBHICJAKSA-N 1 1 298.446 3.260 20 30 CGEDMO C#CCC[N@H+](C)C1CCN(C(=O)[C@@H](CC)CCCC)CC1 ZINC001283293006 809275901 /nfs/dbraw/zinc/27/59/01/809275901.db2.gz ZAKCHAHQIHHMAI-INIZCTEOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C1CCC(C(=O)N2CCC([N@@H+](C)CCCF)CC2)CC1 ZINC001283325635 809276905 /nfs/dbraw/zinc/27/69/05/809276905.db2.gz OLPCSFRXCMLUFY-UHFFFAOYSA-N 1 1 296.430 3.015 20 30 CGEDMO N#Cc1ccncc1NC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001175504446 809432983 /nfs/dbraw/zinc/43/29/83/809432983.db2.gz BLZAUHVGKRQOFY-UHFFFAOYSA-N 1 1 290.370 3.155 20 30 CGEDMO C=CCCCCCN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001293770690 809453817 /nfs/dbraw/zinc/45/38/17/809453817.db2.gz KEQCKOPUTADOFD-MRXNPFEDSA-N 1 1 280.456 3.313 20 30 CGEDMO C=C(CC)C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001294614660 809472260 /nfs/dbraw/zinc/47/22/60/809472260.db2.gz NLBXQCSIILNEBK-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)C[C@@H](C)c1ccccc1 ZINC001297380512 809515916 /nfs/dbraw/zinc/51/59/16/809515916.db2.gz ZWSQSFYALAAZQI-MRXNPFEDSA-N 1 1 288.435 3.147 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@@]2(C)C1 ZINC001175972438 809587773 /nfs/dbraw/zinc/58/77/73/809587773.db2.gz BJQWUIBWQMJKGX-ZWKOTPCHSA-N 1 1 270.420 3.016 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC001176070309 809614060 /nfs/dbraw/zinc/61/40/60/809614060.db2.gz PMFVWUWJSNAIEL-LBPRGKRZSA-N 1 1 283.293 3.430 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1C[C@H](O)Cc1ccccc1 ZINC001176771934 809759911 /nfs/dbraw/zinc/75/99/11/809759911.db2.gz YJVKFDOLGRHPRI-IAGOWNOFSA-N 1 1 259.393 3.021 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC001177905516 809830616 /nfs/dbraw/zinc/83/06/16/809830616.db2.gz QFMPWUVRWIEGTD-UHFFFAOYSA-N 1 1 282.174 3.368 20 30 CGEDMO C=CC[N@H+](C)CC(C)(C)c1ccc(OC)c(OC)c1 ZINC001181057210 810034135 /nfs/dbraw/zinc/03/41/35/810034135.db2.gz YMGJWSMPZDKROA-UHFFFAOYSA-N 1 1 263.381 3.099 20 30 CGEDMO CN(C)c1ccc(C#N)cc1C[N@@H+](C)C1CC(C)(C)C1 ZINC001182249731 810100415 /nfs/dbraw/zinc/10/04/15/810100415.db2.gz GKYCINWAHZKWBK-UHFFFAOYSA-N 1 1 271.408 3.245 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2ccc(Br)nc2)C1 ZINC001182542051 810114532 /nfs/dbraw/zinc/11/45/32/810114532.db2.gz AXQZDVTXNKPPIC-GFCCVEGCSA-N 1 1 293.208 3.079 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(Br)nc2)C1 ZINC001182542051 810114534 /nfs/dbraw/zinc/11/45/34/810114534.db2.gz AXQZDVTXNKPPIC-GFCCVEGCSA-N 1 1 293.208 3.079 20 30 CGEDMO CC#CCCCCCCCC(=O)NCCn1cc[nH+]c1C ZINC001182770720 810123812 /nfs/dbraw/zinc/12/38/12/810123812.db2.gz WPJMLBFTAFQSES-UHFFFAOYSA-N 1 1 289.423 3.062 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CC(C)(C)CNC(=O)OC(C)(C)C)C1 ZINC001183065441 810135986 /nfs/dbraw/zinc/13/59/86/810135986.db2.gz LHMYSMLGUISDRK-CQSZACIVSA-N 1 1 296.455 3.435 20 30 CGEDMO C=C(C)C[C@H]([NH2+]C1CCc2ccccc2CC1)C(=O)OC ZINC001183324030 810144871 /nfs/dbraw/zinc/14/48/71/810144871.db2.gz JSLQLEGIDVORCT-KRWDZBQOSA-N 1 1 287.403 3.031 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CCC)[C@@H]2C1 ZINC001186668557 810355045 /nfs/dbraw/zinc/35/50/45/810355045.db2.gz GBUKYTJYPUUUHE-JKSUJKDBSA-N 1 1 280.456 3.290 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]2C[N@H+](CCCCCC)C[C@H]21 ZINC001187239622 810391013 /nfs/dbraw/zinc/39/10/13/810391013.db2.gz GOCHTPRSFMOIMO-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)CCCCC(C)(C)C)[C@@H]2C1 ZINC001187996957 810440881 /nfs/dbraw/zinc/44/08/81/810440881.db2.gz KSLLFTNBYOCZHR-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)CCCC3CC3)[C@@H]2C1 ZINC001188875937 810521569 /nfs/dbraw/zinc/52/15/69/810521569.db2.gz PCTOYEFFZXAENO-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](CC)CCCC)C1 ZINC001189011333 810533587 /nfs/dbraw/zinc/53/35/87/810533587.db2.gz DOTPHPIBLLJLGI-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO COc1cc(OCc2c(C)cc(C)[nH+]c2C)ccc1C#N ZINC001189225424 810549958 /nfs/dbraw/zinc/54/99/58/810549958.db2.gz NPRFLQVUOMLKMX-UHFFFAOYSA-N 1 1 282.343 3.466 20 30 CGEDMO C=CCCC(=O)N1CC[C@@H]([N@@H+](C)C/C=C/c2ccccc2)C1 ZINC001189280053 810553807 /nfs/dbraw/zinc/55/38/07/810553807.db2.gz PUYQBIFQBVDOBU-VEGGFIAOSA-N 1 1 298.430 3.199 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)CC(C)(C)C)[C@@H]2C1 ZINC001189324258 810558364 /nfs/dbraw/zinc/55/83/64/810558364.db2.gz HGQOGERINMGTLU-HRCADAONSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)CCC2CCC2)C1 ZINC001189565923 810578079 /nfs/dbraw/zinc/57/80/79/810578079.db2.gz YTFWAPRHUCOXSP-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)c2cscc2C)C1 ZINC001189564603 810578581 /nfs/dbraw/zinc/57/85/81/810578581.db2.gz DYTINMUCWUWKDR-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)CCC2CCC2)C1 ZINC001189575127 810579628 /nfs/dbraw/zinc/57/96/28/810579628.db2.gz QRPGGIRUQROYMX-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C(F)=C2CCCC2)C1 ZINC001189642840 810583653 /nfs/dbraw/zinc/58/36/53/810583653.db2.gz UVHFMKJLEPSVMV-HNNXBMFYSA-N 1 1 294.414 3.283 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)c2cc(C)c(C)o2)C1 ZINC001189650390 810584671 /nfs/dbraw/zinc/58/46/71/810584671.db2.gz CSTQNQIDEHFUCH-HNNXBMFYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)C(C)(C)C)[C@@H]2C1 ZINC001189953149 810597671 /nfs/dbraw/zinc/59/76/71/810597671.db2.gz KYQKXIXXWJAGIW-OWCLPIDISA-N 1 1 292.467 3.168 20 30 CGEDMO C[N@@H+](CCC(C)(C)C)[C@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001190076301 810606742 /nfs/dbraw/zinc/60/67/42/810606742.db2.gz OLZLXOPIXNSFRK-HNNXBMFYSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(CC(=C)C)cc1 ZINC001190233346 810613270 /nfs/dbraw/zinc/61/32/70/810613270.db2.gz RKECTMDLQXQNCX-SFHVURJKSA-N 1 1 298.430 3.185 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[C@@H]([N@H+](C)CCCC)C1 ZINC001190354017 810622292 /nfs/dbraw/zinc/62/22/92/810622292.db2.gz GAYVJPXOFQGFFC-MRXNPFEDSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@H]([N@H+](C)C[C@@H](C)CC)C1 ZINC001190388231 810625706 /nfs/dbraw/zinc/62/57/06/810625706.db2.gz LYCLJXUSUAOXSO-GJZGRUSLSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@@H]([N@@H+](C)CCCCCF)C1 ZINC001190429227 810628234 /nfs/dbraw/zinc/62/82/34/810628234.db2.gz XQWNRJILXPKYQG-OAHLLOKOSA-N 1 1 284.419 3.015 20 30 CGEDMO CCCCCCCCC[N@@H+](C)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC001190494051 810630180 /nfs/dbraw/zinc/63/01/80/810630180.db2.gz NKTHMWWQAHWQCZ-ULQDDVLXSA-N 1 1 283.456 3.473 20 30 CGEDMO C#CC[N@H+](C[C@@H](O)CCC(C)C)[C@@H]1CCc2ccccc21 ZINC001190527905 810632631 /nfs/dbraw/zinc/63/26/31/810632631.db2.gz ITPVJPWQPWCZNU-PKOBYXMFSA-N 1 1 285.431 3.406 20 30 CGEDMO CC[C@H]1c2ccccc2CC[N@@H+]1Cc1cc(C#N)ccn1 ZINC001191038398 810664769 /nfs/dbraw/zinc/66/47/69/810664769.db2.gz JOWZZIUYGCWWHX-SFHVURJKSA-N 1 1 277.371 3.463 20 30 CGEDMO CCCCCCCCNC(=O)N[C@]1(C)CCC[N@@H+](C)C1 ZINC001191081299 810672254 /nfs/dbraw/zinc/67/22/54/810672254.db2.gz KVVMJYQBCOUIPG-MRXNPFEDSA-N 1 1 283.460 3.130 20 30 CGEDMO CCCCCCCNC(=O)N[C@H]1CC[N@H+](C(C)C)C[C@H]1C ZINC001191122219 810679671 /nfs/dbraw/zinc/67/96/71/810679671.db2.gz UUMIVFWDYHDMMX-CVEARBPZSA-N 1 1 297.487 3.375 20 30 CGEDMO C=CCCCCC[N@H+](C)CCN1CCC(C)CC1 ZINC001191131696 810681099 /nfs/dbraw/zinc/68/10/99/810681099.db2.gz GJIDIWRPMOHDGW-UHFFFAOYSA-N 1 1 252.446 3.397 20 30 CGEDMO C=CCCCCCN(C)CC[NH+]1CCC(C)CC1 ZINC001191131696 810681102 /nfs/dbraw/zinc/68/11/02/810681102.db2.gz GJIDIWRPMOHDGW-UHFFFAOYSA-N 1 1 252.446 3.397 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CC[C@@](C)(CCc2ccccc2)C1 ZINC001191444143 810714252 /nfs/dbraw/zinc/71/42/52/810714252.db2.gz IQKNOLKRNPSDED-ZWKOTPCHSA-N 1 1 273.420 3.268 20 30 CGEDMO C[C@@H](Cc1cccs1)[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC001191464935 810715752 /nfs/dbraw/zinc/71/57/52/810715752.db2.gz UINMMWUCVPZUMC-KBPBESRZSA-N 1 1 292.448 3.056 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)CC/C=C\CC)C1 ZINC001191683898 810730165 /nfs/dbraw/zinc/73/01/65/810730165.db2.gz MTMLJCNEMVQXAF-QWGSZXSUSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)CC(C)=C(C)C)C1 ZINC001191763667 810738319 /nfs/dbraw/zinc/73/83/19/810738319.db2.gz NEKVTOYVOHOBGX-AWEZNQCLSA-N 1 1 284.831 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)CC(C)=C(C)C)C1 ZINC001191763667 810738325 /nfs/dbraw/zinc/73/83/25/810738325.db2.gz NEKVTOYVOHOBGX-AWEZNQCLSA-N 1 1 284.831 3.018 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CCCC#CC)C1 ZINC001191858927 810752761 /nfs/dbraw/zinc/75/27/61/810752761.db2.gz FOPIVQYTVIYSRX-DLBZAZTESA-N 1 1 290.451 3.067 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC[C@@H]([N@H+](C)CCCCC)C1 ZINC001191891058 810753560 /nfs/dbraw/zinc/75/35/60/810753560.db2.gz WSKFZWXNTNBUMN-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]([N@@H+](C)CCC2CCCC2)C1 ZINC001192094569 810768919 /nfs/dbraw/zinc/76/89/19/810768919.db2.gz VJTSPGJQEQFMAN-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[C@@H]([N@H+](C)CC/C=C\CC)C1 ZINC001192163547 810773064 /nfs/dbraw/zinc/77/30/64/810773064.db2.gz XJRDPKJCIDBDBH-KABQWYEXSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCCC1(C(=O)N2CC[C@H]([N@H+](C)C[C@@H](C)CC)C2)CC1 ZINC001192207396 810775359 /nfs/dbraw/zinc/77/53/59/810775359.db2.gz WYZSMMKWGZCOIX-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001192239278 810779880 /nfs/dbraw/zinc/77/98/80/810779880.db2.gz UMCRRRADOLXJGF-JFIYKMOQSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@H]([N@@H+](C)CC2CCCC2)C1 ZINC001192578278 810808058 /nfs/dbraw/zinc/80/80/58/810808058.db2.gz OFFWQOTVVHUPBJ-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO CC(C)[C@@H]1CCCCC[N@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001192654387 810815383 /nfs/dbraw/zinc/81/53/83/810815383.db2.gz YCIKMWDLWAGRSA-ZWKOTPCHSA-N 1 1 286.419 3.492 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)CC(C)(C)C)C1 ZINC001192687064 810816769 /nfs/dbraw/zinc/81/67/69/810816769.db2.gz AMJHXZHMILBNBX-LSDHHAIUSA-N 1 1 280.456 3.168 20 30 CGEDMO CCCCCCC[C@H](C)NC(=O)N1CCC[N@@H+](CC)CC1 ZINC001192920156 810829334 /nfs/dbraw/zinc/82/93/34/810829334.db2.gz VJPMMHJXBOXICP-INIZCTEOSA-N 1 1 297.487 3.473 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)CCCCC(C)C)C1 ZINC001192933687 810831162 /nfs/dbraw/zinc/83/11/62/810831162.db2.gz MSGDJBVRNZWOQP-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC23CCCC3)C1 ZINC001193267900 810867502 /nfs/dbraw/zinc/86/75/02/810867502.db2.gz OKTUBMFCVZUTCY-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)CC(C)C)C1 ZINC001193367598 810878227 /nfs/dbraw/zinc/87/82/27/810878227.db2.gz WJGPDCMHBIAVSC-HNNXBMFYSA-N 1 1 280.456 3.168 20 30 CGEDMO CCCCCCCC[N@@H+]1CC[S@@](=O)CC1(C)C ZINC001193461954 810890873 /nfs/dbraw/zinc/89/08/73/810890873.db2.gz SJRRJNIJVILTBQ-QGZVFWFLSA-N 1 1 259.459 3.190 20 30 CGEDMO CCCCCCCC[N@H+]1CC[S@@](=O)CC1(C)C ZINC001193461954 810890879 /nfs/dbraw/zinc/89/08/79/810890879.db2.gz SJRRJNIJVILTBQ-QGZVFWFLSA-N 1 1 259.459 3.190 20 30 CGEDMO C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001193479634 810893386 /nfs/dbraw/zinc/89/33/86/810893386.db2.gz YSSHXHPTVDXTKZ-HZPDHXFCSA-N 1 1 292.467 3.005 20 30 CGEDMO N#Cc1ccnc(C[N@H+]2CCCC3(CCCC3)C2)c1 ZINC001193517419 810902239 /nfs/dbraw/zinc/90/22/39/810902239.db2.gz SLTLJHUHKADHKX-UHFFFAOYSA-N 1 1 255.365 3.109 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)C[C@H]1CCCC[C@@H]1C ZINC001193913503 810979189 /nfs/dbraw/zinc/97/91/89/810979189.db2.gz KBDWVJVBJRNQET-JKSUJKDBSA-N 1 1 252.446 3.252 20 30 CGEDMO CCCCCCCOC(=O)NC[C@@H]1CCC[N@H+]1CC ZINC001193985692 810996707 /nfs/dbraw/zinc/99/67/07/810996707.db2.gz MEEXMNHBHCGJRX-AWEZNQCLSA-N 1 1 270.417 3.167 20 30 CGEDMO CCCCCCCOC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001194005313 810999624 /nfs/dbraw/zinc/99/96/24/810999624.db2.gz NWWFPTGYAQUEHO-MRXNPFEDSA-N 1 1 282.428 3.121 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C=C)c2ccccc2)C1 ZINC001194183951 811031046 /nfs/dbraw/zinc/03/10/46/811031046.db2.gz WVJOHGQZGQOECZ-ZWKOTPCHSA-N 1 1 298.430 3.065 20 30 CGEDMO CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CCCC)C(C)C)C1 ZINC001194336232 811053524 /nfs/dbraw/zinc/05/35/24/811053524.db2.gz HNNKTSSBPRKLLQ-IAGOWNOFSA-N 1 1 292.467 3.005 20 30 CGEDMO CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](CCC)CC(C)C)C1 ZINC001194368532 811060789 /nfs/dbraw/zinc/06/07/89/811060789.db2.gz SSIVTDWGMXQBJK-IRXDYDNUSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C2CCCC2)CC1 ZINC001194612211 811094778 /nfs/dbraw/zinc/09/47/78/811094778.db2.gz HCGDYYLQUPMJEE-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCOCC[N@H+]1[C@H](C)C[C@H](c2ccccc2)[C@H]1C ZINC001194684971 811107687 /nfs/dbraw/zinc/10/76/87/811107687.db2.gz ZILFKUUSXIJMJS-INMHGKMJSA-N 1 1 259.393 3.456 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCN(C(=O)C=C(C)C)CC1 ZINC001194714548 811114715 /nfs/dbraw/zinc/11/47/15/811114715.db2.gz SGVANOGEQFGJBV-UHFFFAOYSA-N 1 1 278.440 3.233 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)[C@@H](CC)CCCC)CC1 ZINC001194936632 811174427 /nfs/dbraw/zinc/17/44/27/811174427.db2.gz RWYQTVCGGKPUSF-INIZCTEOSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCCCCC[N@H+]1CCCN(C(=O)CCC=C)CC1 ZINC001195226765 811229120 /nfs/dbraw/zinc/22/91/20/811229120.db2.gz WSBLYLQDBMNCKN-UHFFFAOYSA-N 1 1 278.440 3.233 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)C[C@H](C)C(C)C)CC1 ZINC001195244335 811231200 /nfs/dbraw/zinc/23/12/00/811231200.db2.gz BOHHEDBPEWUZKR-INIZCTEOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)c2cc(C)cs2)CC1 ZINC001195728049 811281770 /nfs/dbraw/zinc/28/17/70/811281770.db2.gz SMPXMHZPSCWGFN-UHFFFAOYSA-N 1 1 292.448 3.171 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@H](C)CCCC)CC1 ZINC001195727229 811282356 /nfs/dbraw/zinc/28/23/56/811282356.db2.gz ICFRZCYOGGRBAC-MRXNPFEDSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[N@H+](CC/C=C\CC)CC1 ZINC001195990447 811309358 /nfs/dbraw/zinc/30/93/58/811309358.db2.gz TXODPOKRFRMNSC-FPLPWBNLSA-N 1 1 292.467 3.479 20 30 CGEDMO C[C@@H]([NH2+]CC#Cc1ccccc1Cl)c1ccns1 ZINC001196676232 811358165 /nfs/dbraw/zinc/35/81/65/811358165.db2.gz RIPDSJHKXILUOG-LLVKDONJSA-N 1 1 276.792 3.499 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCCC2(C)C)CC1 ZINC001196790938 811366348 /nfs/dbraw/zinc/36/63/48/811366348.db2.gz RFBXJKRQIBJNOF-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@H+](CCC(C)C)CC1 ZINC001196829706 811374057 /nfs/dbraw/zinc/37/40/57/811374057.db2.gz HSDMRFFYZLYECN-CVEARBPZSA-N 1 1 280.456 3.025 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[N@H+](CC/C=C\CC)CC2)C1 ZINC001197102632 811399168 /nfs/dbraw/zinc/39/91/68/811399168.db2.gz UVKHUXIXHKIAFW-WAYWQWQTSA-N 1 1 290.451 3.233 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)C[C@H]1CCCC(C)(C)O1 ZINC001197115978 811399544 /nfs/dbraw/zinc/39/95/44/811399544.db2.gz OBDMMGDUYRDWEK-QGZVFWFLSA-N 1 1 286.419 3.380 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[N@H+](C[C@H](C)CC)CC1 ZINC001197291824 811411373 /nfs/dbraw/zinc/41/13/73/811411373.db2.gz LZOLGHHAUQJICP-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[N@H+](CC/C=C/CC)CC1 ZINC001197291387 811411643 /nfs/dbraw/zinc/41/16/43/811411643.db2.gz BZUKKLVLECBZKE-BQYQJAHWSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H](C)C(C)C)CC1 ZINC001197316116 811414145 /nfs/dbraw/zinc/41/41/45/811414145.db2.gz QQROMGYMURBUDB-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO N#CCc1ccc(C[N@@H+]2CCCC[C@@H]2c2ncccn2)cc1 ZINC001197451771 811425344 /nfs/dbraw/zinc/42/53/44/811425344.db2.gz YHWBBDZWSMWUCZ-QGZVFWFLSA-N 1 1 292.386 3.270 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCCC[C@@H]2c2ncccn2)cc1 ZINC001197451771 811425349 /nfs/dbraw/zinc/42/53/49/811425349.db2.gz YHWBBDZWSMWUCZ-QGZVFWFLSA-N 1 1 292.386 3.270 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)s1)Cc1cc(C#N)cs1 ZINC001198195494 811483133 /nfs/dbraw/zinc/48/31/33/811483133.db2.gz YWIGBBVOAPQEAG-UHFFFAOYSA-N 1 1 273.386 3.185 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)s1)Cc1cc(C#N)cs1 ZINC001198195494 811483137 /nfs/dbraw/zinc/48/31/37/811483137.db2.gz YWIGBBVOAPQEAG-UHFFFAOYSA-N 1 1 273.386 3.185 20 30 CGEDMO CC#CC[N@H+]1CCCN(C(=O)C(C)(C)CCCCC)CC1 ZINC001198204223 811484241 /nfs/dbraw/zinc/48/42/41/811484241.db2.gz DPFRYARMVVEXCF-UHFFFAOYSA-N 1 1 292.467 3.151 20 30 CGEDMO CC#CC[N@@H+]1CCCN(C(=O)C(C)(C)CCCCC)CC1 ZINC001198204223 811484247 /nfs/dbraw/zinc/48/42/47/811484247.db2.gz DPFRYARMVVEXCF-UHFFFAOYSA-N 1 1 292.467 3.151 20 30 CGEDMO COCC#CC[N@H+]1CCC[C@]1(C)Cc1ccc(Cl)s1 ZINC001198300480 811489345 /nfs/dbraw/zinc/48/93/45/811489345.db2.gz NXSYTMPBNUSXLQ-OAHLLOKOSA-N 1 1 297.851 3.448 20 30 CGEDMO C#C[C@@H]1CCCC[N@H+]1Cc1cc(-c2ccc(OC)cc2)no1 ZINC001198527153 811513659 /nfs/dbraw/zinc/51/36/59/811513659.db2.gz YEKSDNUYDQAVBP-OAHLLOKOSA-N 1 1 296.370 3.338 20 30 CGEDMO C#C[C@@H]1CCCC[N@@H+]1Cc1cc(-c2ccc(OC)cc2)no1 ZINC001198527153 811513668 /nfs/dbraw/zinc/51/36/68/811513668.db2.gz YEKSDNUYDQAVBP-OAHLLOKOSA-N 1 1 296.370 3.338 20 30 CGEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](C[C@@H]1CC=CCC1)C2 ZINC001201415487 811834364 /nfs/dbraw/zinc/83/43/64/811834364.db2.gz CKHNGYMBUSHVSF-SQNIBIBYSA-N 1 1 291.435 3.169 20 30 CGEDMO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](CC(C)(C)C)CCO2 ZINC001201434491 811845398 /nfs/dbraw/zinc/84/53/98/811845398.db2.gz BDENWPSERXXATP-NVXWUHKLSA-N 1 1 281.440 3.106 20 30 CGEDMO C=CCN1C(=O)CCC[C@@]12CCC[N@H+](CCCCC)C2 ZINC001201725906 811948791 /nfs/dbraw/zinc/94/87/91/811948791.db2.gz AGKGNMULTGQSFB-KRWDZBQOSA-N 1 1 278.440 3.210 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@]2(CCN(CC)C2=O)C1 ZINC001201776341 811964400 /nfs/dbraw/zinc/96/44/00/811964400.db2.gz CBTRHEJEFBNASY-KRWDZBQOSA-N 1 1 280.456 3.291 20 30 CGEDMO CCCCCCC[N@@H+]1CCO[C@H](c2ccncc2)C1 ZINC001201797718 811966300 /nfs/dbraw/zinc/96/63/00/811966300.db2.gz DLJZWDTUTWMZPM-INIZCTEOSA-N 1 1 262.397 3.425 20 30 CGEDMO CCCCCCC[N@H+]1CCO[C@H](c2ccncc2)C1 ZINC001201797718 811966303 /nfs/dbraw/zinc/96/63/03/811966303.db2.gz DLJZWDTUTWMZPM-INIZCTEOSA-N 1 1 262.397 3.425 20 30 CGEDMO CCCCCCCCC[N@H+]1CCO[C@@H]2C[C@@H](CO)C[C@@H]21 ZINC001201840049 811969502 /nfs/dbraw/zinc/96/95/02/811969502.db2.gz SGBUTFMWVJQDQH-YESZJQIVSA-N 1 1 283.456 3.209 20 30 CGEDMO CCCCCCCCC[N@@H+]1CC(=O)N2CCC[C@@H]2C1 ZINC001201845960 811970838 /nfs/dbraw/zinc/97/08/38/811970838.db2.gz BDPSZHKJUIITIS-OAHLLOKOSA-N 1 1 266.429 3.044 20 30 CGEDMO CCCCCCCCC[N@@H+]1CCc2nccn2CC1 ZINC001201852913 811972388 /nfs/dbraw/zinc/97/23/88/811972388.db2.gz RRGUAFRYBLNMGN-UHFFFAOYSA-N 1 1 263.429 3.492 20 30 CGEDMO C=C(CC)C[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001202813825 812178678 /nfs/dbraw/zinc/17/86/78/812178678.db2.gz WLDFIJPFJFYDQP-UHFFFAOYSA-N 1 1 299.168 3.413 20 30 CGEDMO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC001203285785 812290736 /nfs/dbraw/zinc/29/07/36/812290736.db2.gz UMVCNZDFVHYAMR-MRXNPFEDSA-N 1 1 282.343 3.195 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@H+](Cc1cccc(F)c1)CC2 ZINC001203784248 812461595 /nfs/dbraw/zinc/46/15/95/812461595.db2.gz PNYMCJDHHUZDFZ-UHFFFAOYSA-N 1 1 266.319 3.256 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@@H+](Cc1cccc(F)c1)CC2 ZINC001203784248 812461601 /nfs/dbraw/zinc/46/16/01/812461601.db2.gz PNYMCJDHHUZDFZ-UHFFFAOYSA-N 1 1 266.319 3.256 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2Cc2ccccn2)cc1 ZINC001203905537 812487699 /nfs/dbraw/zinc/48/76/99/812487699.db2.gz RVVISOHPLVIZKZ-SFHVURJKSA-N 1 1 277.371 3.160 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccnc3ccccc23)CC1 ZINC001204088552 812546972 /nfs/dbraw/zinc/54/69/72/812546972.db2.gz OUNSIMGQNBCOEZ-CQSZACIVSA-N 1 1 265.360 3.360 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCCC(=O)[C@@H](C)C2)cc1 ZINC001204298219 812604651 /nfs/dbraw/zinc/60/46/51/812604651.db2.gz XGUGMVFYQNNIDZ-AWEZNQCLSA-N 1 1 273.376 3.052 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCCC(=O)[C@@H](C)C2)cc1 ZINC001204298219 812604656 /nfs/dbraw/zinc/60/46/56/812604656.db2.gz XGUGMVFYQNNIDZ-AWEZNQCLSA-N 1 1 273.376 3.052 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCCCC23COC3)cc1 ZINC001204300333 812605151 /nfs/dbraw/zinc/60/51/51/812605151.db2.gz PURFQHOKNBUJJJ-UHFFFAOYSA-N 1 1 273.376 3.006 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCCCC23COC3)cc1 ZINC001204300333 812605155 /nfs/dbraw/zinc/60/51/55/812605155.db2.gz PURFQHOKNBUJJJ-UHFFFAOYSA-N 1 1 273.376 3.006 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)cc1 ZINC001204303655 812606938 /nfs/dbraw/zinc/60/69/38/812606938.db2.gz PBHHPBXVMDEYQU-DZKIICNBSA-N 1 1 261.340 3.184 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CCOC[C@H]1C1CCCCC1 ZINC001204373573 812622812 /nfs/dbraw/zinc/62/28/12/812622812.db2.gz WRKCJKSQQOUYJP-SFHVURJKSA-N 1 1 284.403 3.339 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCOC[C@H]1C1CCCCC1 ZINC001204373573 812622817 /nfs/dbraw/zinc/62/28/17/812622817.db2.gz WRKCJKSQQOUYJP-SFHVURJKSA-N 1 1 284.403 3.339 20 30 CGEDMO C#CC[N@@H+](CC#CC)Cc1ccccc1N1CCCCC1 ZINC001204775854 812733223 /nfs/dbraw/zinc/73/32/23/812733223.db2.gz HWDGKZNZWSMYLP-UHFFFAOYSA-N 1 1 280.415 3.135 20 30 CGEDMO C#CC[N@H+](CC#CC)Cc1ccccc1N1CCCCC1 ZINC001204775854 812733227 /nfs/dbraw/zinc/73/32/27/812733227.db2.gz HWDGKZNZWSMYLP-UHFFFAOYSA-N 1 1 280.415 3.135 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)ccc1F ZINC001205459203 812986935 /nfs/dbraw/zinc/98/69/35/812986935.db2.gz HILQBVJVDZNPPP-KBPBESRZSA-N 1 1 258.340 3.319 20 30 CGEDMO N#Cc1cc(C[N@@H+](C2CCC2)C2CCOCC2)ccc1F ZINC001205502104 812992731 /nfs/dbraw/zinc/99/27/31/812992731.db2.gz DZDVSAYVGSXTIC-UHFFFAOYSA-N 1 1 288.366 3.231 20 30 CGEDMO CCCCCCCCCC[N@@H+]1CCCC[C@](O)(CN)C1 ZINC001205664521 813046537 /nfs/dbraw/zinc/04/65/37/813046537.db2.gz NTLATHRAQRTIIN-KRWDZBQOSA-N 1 1 284.488 3.303 20 30 CGEDMO CCCCCCCCCC[N@H+]1CCCC[C@](O)(CN)C1 ZINC001205664521 813046543 /nfs/dbraw/zinc/04/65/43/813046543.db2.gz NTLATHRAQRTIIN-KRWDZBQOSA-N 1 1 284.488 3.303 20 30 CGEDMO C[C@H](c1ccccn1)[N@H+]1CCC[C@H](OCCCCC#N)C1 ZINC001205672098 813047956 /nfs/dbraw/zinc/04/79/56/813047956.db2.gz HWGNXQUEOOSMKM-CVEARBPZSA-N 1 1 287.407 3.317 20 30 CGEDMO C[C@@H]1CN(Cc2c(Cl)cccc2C#N)CCC[C@@H]1C[NH3+] ZINC001206012045 813164935 /nfs/dbraw/zinc/16/49/35/813164935.db2.gz IDVYPEABWVYPNV-CHWSQXEVSA-N 1 1 291.826 3.018 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CC[C@@H](N)[C@@H](F)CC1 ZINC001206156252 813216902 /nfs/dbraw/zinc/21/69/02/813216902.db2.gz PJUSLFTVJOETJR-LSDHHAIUSA-N 1 1 256.409 3.274 20 30 CGEDMO Cc1nc(C)c(C[N@H+](CCC#N)C2CCCC2)s1 ZINC001206171793 813224603 /nfs/dbraw/zinc/22/46/03/813224603.db2.gz VBGBIPZRIRSCSP-UHFFFAOYSA-N 1 1 263.410 3.418 20 30 CGEDMO Cc1nc(C)c(C[N@@H+](CCC#N)C2CCCC2)s1 ZINC001206171793 813224607 /nfs/dbraw/zinc/22/46/07/813224607.db2.gz VBGBIPZRIRSCSP-UHFFFAOYSA-N 1 1 263.410 3.418 20 30 CGEDMO CSc1ccc(C[NH2+]Cc2ccc(C#N)c(F)c2)o1 ZINC001206291867 813274790 /nfs/dbraw/zinc/27/47/90/813274790.db2.gz CKUJIQXPROJGRV-UHFFFAOYSA-N 1 1 276.336 3.302 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[N@H+](CCCC2CCCC2)C[C@H]1C ZINC001206490036 813334656 /nfs/dbraw/zinc/33/46/56/813334656.db2.gz GIOONTSGZAIDKX-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cc(O)cc(Cl)c2)C1 ZINC001206799398 813440016 /nfs/dbraw/zinc/44/00/16/813440016.db2.gz FDCBRNNUSGFWPS-NSHDSACASA-N 1 1 251.757 3.444 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(F)=C(C)C)C1 ZINC001206871860 813457636 /nfs/dbraw/zinc/45/76/36/813457636.db2.gz CRMASOXWHZBNCH-HUUCEWRRSA-N 1 1 296.430 3.433 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCCC)C[C@H]1C ZINC001207153163 813497748 /nfs/dbraw/zinc/49/77/48/813497748.db2.gz OFYHEAFUNWPPRC-DGCLKSJQSA-N 1 1 286.847 3.002 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C ZINC001207158079 813500778 /nfs/dbraw/zinc/50/07/78/813500778.db2.gz DXRXBDVSJRNODN-HUUCEWRRSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCN(CC[N@H+](C)CC(C)(C)C)C(=O)OC(C)(C)C ZINC001207206191 813515920 /nfs/dbraw/zinc/51/59/20/813515920.db2.gz QYHZMZVXLBLLET-UHFFFAOYSA-N 1 1 284.444 3.387 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CCOC(C)(C)C1 ZINC001207366578 813552580 /nfs/dbraw/zinc/55/25/80/813552580.db2.gz PZGFCKCHJGNFNY-MRXNPFEDSA-N 1 1 272.392 3.195 20 30 CGEDMO C#C[C@H]1CCC[N@H+](CCc2cccc(Br)c2)C1 ZINC001207510856 813581967 /nfs/dbraw/zinc/58/19/67/813581967.db2.gz ZNIPIXSRGDNOID-ZDUSSCGKSA-N 1 1 292.220 3.337 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)CC1(C)CCOCC1 ZINC001208076976 813688404 /nfs/dbraw/zinc/68/84/04/813688404.db2.gz NQZHMOHWTLTFQA-UHFFFAOYSA-N 1 1 259.393 3.491 20 30 CGEDMO CC1=C[C@H](C)[C@@H](C[N@H+]2CCC3SC(=O)C=C3C2)CC1 ZINC001208163485 813718707 /nfs/dbraw/zinc/71/87/07/813718707.db2.gz WTPFLLRTTRRUGO-GZBFAFLISA-N 1 1 277.433 3.253 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@H]3C[C@@]32C(=O)OCC)CC1 ZINC001208170537 813723477 /nfs/dbraw/zinc/72/34/77/813723477.db2.gz IDFJUYXVEXQJDL-NUJGCVRESA-N 1 1 289.419 3.317 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)OCC)CC1 ZINC001208170537 813723481 /nfs/dbraw/zinc/72/34/81/813723481.db2.gz IDFJUYXVEXQJDL-NUJGCVRESA-N 1 1 289.419 3.317 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@]2(C)C(=O)OC)CC1 ZINC001208170609 813724070 /nfs/dbraw/zinc/72/40/70/813724070.db2.gz IMMYUCASPBPAQS-NVXWUHKLSA-N 1 1 277.408 3.317 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@@](O)(CF)CC2)CC1 ZINC001208170242 813724315 /nfs/dbraw/zinc/72/43/15/813724315.db2.gz GJTXTQDFQZZSEV-SJORKVTESA-N 1 1 281.415 3.476 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@H](C)[C@@H](O)CC2)CC1 ZINC001208171700 813725969 /nfs/dbraw/zinc/72/59/69/813725969.db2.gz XMSYSHPOPCQICN-OIISXLGYSA-N 1 1 263.425 3.382 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2C[N@H+](CC=C(C)C)C[C@H]2C)CCC1 ZINC001208506627 813765156 /nfs/dbraw/zinc/76/51/56/813765156.db2.gz KDFCVNCRNCULNC-HZPDHXFCSA-N 1 1 290.451 3.136 20 30 CGEDMO C[C@@H](C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2)OCc1ccccc1 ZINC001208702205 813806200 /nfs/dbraw/zinc/80/62/00/813806200.db2.gz IWPFJAGZXJNCMU-LEUOFYLZSA-N 1 1 284.403 3.358 20 30 CGEDMO N#Cc1cccc(CCC[N@H+]2CC[C@H](c3ccncc3)C2)c1 ZINC001208852662 813867431 /nfs/dbraw/zinc/86/74/31/813867431.db2.gz PKHKHDXDHGLITE-IBGZPJMESA-N 1 1 291.398 3.375 20 30 CGEDMO CCN(CC)CC[N@@H+](CC)CCCc1ccc(C#N)cc1 ZINC001208856152 813869423 /nfs/dbraw/zinc/86/94/23/813869423.db2.gz BJOZCYVKNFQLDB-UHFFFAOYSA-N 1 1 287.451 3.155 20 30 CGEDMO CCN(CCCc1ccc(C#N)cc1)CC[NH+](CC)CC ZINC001208856152 813869432 /nfs/dbraw/zinc/86/94/32/813869432.db2.gz BJOZCYVKNFQLDB-UHFFFAOYSA-N 1 1 287.451 3.155 20 30 CGEDMO N#Cc1ccc(CCC[N@H+]2CCC[C@@H]2CN2CCCC2)cc1 ZINC001208859358 813871036 /nfs/dbraw/zinc/87/10/36/813871036.db2.gz XWXDHKGEHPXBAW-LJQANCHMSA-N 1 1 297.446 3.051 20 30 CGEDMO N#Cc1ccc(CCCN2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC001208859358 813871043 /nfs/dbraw/zinc/87/10/43/813871043.db2.gz XWXDHKGEHPXBAW-LJQANCHMSA-N 1 1 297.446 3.051 20 30 CGEDMO N#Cc1ccc(CCC[N@@H+]2CC[C@@H](N3CCCCC3)C2)cc1 ZINC001208858912 813871222 /nfs/dbraw/zinc/87/12/22/813871222.db2.gz QFCLQQUQEVOBBB-LJQANCHMSA-N 1 1 297.446 3.051 20 30 CGEDMO N#Cc1ccc(CCC[N@H+]2CC[C@@H](N3CCCCC3)C2)cc1 ZINC001208858912 813871230 /nfs/dbraw/zinc/87/12/30/813871230.db2.gz QFCLQQUQEVOBBB-LJQANCHMSA-N 1 1 297.446 3.051 20 30 CGEDMO N#Cc1ccccc1O[C@H]1CCC[N@@H+](C[C@@H]2CCC=CO2)C1 ZINC001208880850 813878251 /nfs/dbraw/zinc/87/82/51/813878251.db2.gz PSYPQIVYVNFQDO-IRXDYDNUSA-N 1 1 298.386 3.094 20 30 CGEDMO N#Cc1ccc(CC[N@@H+]2CCCC[C@@H]2CN2CCCC2)cc1 ZINC001208926392 813901822 /nfs/dbraw/zinc/90/18/22/813901822.db2.gz REDCCBIDEJYVLR-LJQANCHMSA-N 1 1 297.446 3.051 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCCC[C@@H]2CN2CCCC2)cc1 ZINC001208926392 813901826 /nfs/dbraw/zinc/90/18/26/813901826.db2.gz REDCCBIDEJYVLR-LJQANCHMSA-N 1 1 297.446 3.051 20 30 CGEDMO N#Cc1ccc(CC[N@@H+](C2CCC2)C2CCOCC2)cc1 ZINC001208927670 813901856 /nfs/dbraw/zinc/90/18/56/813901856.db2.gz BRTGREJBDRQGFE-UHFFFAOYSA-N 1 1 284.403 3.134 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCc3cc(F)c(F)cc3C2)cc1 ZINC001208928362 813901899 /nfs/dbraw/zinc/90/18/99/813901899.db2.gz GEGMMMSIJDONSM-UHFFFAOYSA-N 1 1 298.336 3.437 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCC[C@H]2Cc2ccccn2)cc1 ZINC001208926057 813902072 /nfs/dbraw/zinc/90/20/72/813902072.db2.gz HAUZVAYBIBTESJ-IBGZPJMESA-N 1 1 291.398 3.203 20 30 CGEDMO C=CCN(CC[N@@H+](C)CC1CCCCC1)C(=O)OCC ZINC001209020196 813917240 /nfs/dbraw/zinc/91/72/40/813917240.db2.gz DIEBMMCPFXQUFX-UHFFFAOYSA-N 1 1 282.428 3.143 20 30 CGEDMO CCOC(C)(C)C[N@H+](CCC#N)Cc1ccccc1 ZINC001209071261 813926088 /nfs/dbraw/zinc/92/60/88/813926088.db2.gz XGVBJPYDKBAZIU-UHFFFAOYSA-N 1 1 260.381 3.217 20 30 CGEDMO CCOC(C)(C)C[N@@H+](CCC#N)Cc1ccccc1 ZINC001209071261 813926090 /nfs/dbraw/zinc/92/60/90/813926090.db2.gz XGVBJPYDKBAZIU-UHFFFAOYSA-N 1 1 260.381 3.217 20 30 CGEDMO C[N@H+](CCC#N)CCc1cccc(C(F)(F)F)c1 ZINC001209114663 813937801 /nfs/dbraw/zinc/93/78/01/813937801.db2.gz CGDBNJICHWRVCT-UHFFFAOYSA-N 1 1 256.271 3.093 20 30 CGEDMO C[N@@H+](CCC#N)CCc1cccc(C(F)(F)F)c1 ZINC001209114663 813937806 /nfs/dbraw/zinc/93/78/06/813937806.db2.gz CGDBNJICHWRVCT-UHFFFAOYSA-N 1 1 256.271 3.093 20 30 CGEDMO C=CCCC[N@H+](CCC(=O)OCC)Cc1ccccc1 ZINC001209159005 813951599 /nfs/dbraw/zinc/95/15/99/813951599.db2.gz YYMBHFYNZFZIQK-UHFFFAOYSA-N 1 1 275.392 3.408 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2CN(Cc3cccs3)C[C@H]2C1 ZINC001209158582 813952073 /nfs/dbraw/zinc/95/20/73/813952073.db2.gz QRYRZDHSBFSDNN-GASCZTMLSA-N 1 1 276.449 3.078 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H](N2Cc3ccccc3NC2=O)C1 ZINC001209163336 813953633 /nfs/dbraw/zinc/95/36/33/813953633.db2.gz CKDIKTSDGSEUKR-INIZCTEOSA-N 1 1 299.418 3.465 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@]2(CC(=O)N(c3ccc(C)cc3)C2)C1 ZINC001209162001 813953964 /nfs/dbraw/zinc/95/39/64/813953964.db2.gz PTZWKIXHXZKHMF-IBGZPJMESA-N 1 1 298.430 3.390 20 30 CGEDMO C[N@H+](CCC#N)CC[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC001209165026 813954690 /nfs/dbraw/zinc/95/46/90/813954690.db2.gz NEVUEIOZGRWYOO-AWEZNQCLSA-N 1 1 295.427 3.012 20 30 CGEDMO C[N@@H+](CCC#N)CC[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC001209165026 813954695 /nfs/dbraw/zinc/95/46/95/813954695.db2.gz NEVUEIOZGRWYOO-AWEZNQCLSA-N 1 1 295.427 3.012 20 30 CGEDMO C=CCCC[N@H+]1CC[C@]2(c3ccccc3OC2=O)C1(C)C ZINC001209164223 813955460 /nfs/dbraw/zinc/95/54/60/813955460.db2.gz VGFPTMMJEQOEQI-GOSISDBHSA-N 1 1 285.387 3.294 20 30 CGEDMO N#CCC[N@H+](CCCc1ccncc1)Cc1ccccc1 ZINC001209181199 813958003 /nfs/dbraw/zinc/95/80/03/813958003.db2.gz QTDZBSQCSRSWEL-UHFFFAOYSA-N 1 1 279.387 3.430 20 30 CGEDMO N#CCC[N@@H+](CCCc1ccncc1)Cc1ccccc1 ZINC001209181199 813958007 /nfs/dbraw/zinc/95/80/07/813958007.db2.gz QTDZBSQCSRSWEL-UHFFFAOYSA-N 1 1 279.387 3.430 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@@]2(CCCC(=O)N2CC=C)C1 ZINC001209200930 813964372 /nfs/dbraw/zinc/96/43/72/813964372.db2.gz QJZQUKPRTCOJEG-SFHVURJKSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCCCC[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)OC(C)(C)C ZINC001209200818 813965311 /nfs/dbraw/zinc/96/53/11/813965311.db2.gz PHFAXWHUUOGUJG-KKUMJFAQSA-N 1 1 294.439 3.330 20 30 CGEDMO C=CCCCC[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001209205020 813966864 /nfs/dbraw/zinc/96/68/64/813966864.db2.gz OTVPQZDKWUCBOS-KDURUIRLSA-N 1 1 284.447 3.407 20 30 CGEDMO C=CCCCC[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001209205020 813966869 /nfs/dbraw/zinc/96/68/69/813966869.db2.gz OTVPQZDKWUCBOS-KDURUIRLSA-N 1 1 284.447 3.407 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@H](CC(=O)OCC)[C@H](C)C1 ZINC001209208661 813967993 /nfs/dbraw/zinc/96/79/93/813967993.db2.gz WUPNVXAOLUZDDM-HUUCEWRRSA-N 1 1 267.413 3.254 20 30 CGEDMO C#CCCC[N@H+](C)Cc1cccc(Br)c1F ZINC001209266529 813988920 /nfs/dbraw/zinc/98/89/20/813988920.db2.gz VSCJHFILIVWHAQ-UHFFFAOYSA-N 1 1 284.172 3.433 20 30 CGEDMO C#CCCC[N@H+](CCCCCCO)Cc1ccccc1 ZINC001209268332 813989512 /nfs/dbraw/zinc/98/95/12/813989512.db2.gz YWHHBDYWQOZATM-UHFFFAOYSA-N 1 1 273.420 3.455 20 30 CGEDMO C=CCCCCC[N@H+]1CCC2SC(=O)C=C2C1 ZINC001209422434 814024841 /nfs/dbraw/zinc/02/48/41/814024841.db2.gz AUHZJRJLSCKMKZ-CYBMUJFWSA-N 1 1 251.395 3.007 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]2OCCC[C@]2(COC)C1 ZINC001209425064 814026103 /nfs/dbraw/zinc/02/61/03/814026103.db2.gz YYXLLIVZKHANHX-DLBZAZTESA-N 1 1 281.440 3.250 20 30 CGEDMO C=CCCCCC[N@@H+](C)[C@@H](Cc1ccccc1)C(=O)OC ZINC001209432909 814033451 /nfs/dbraw/zinc/03/34/51/814033451.db2.gz MTPQDTYAEZAMQU-KRWDZBQOSA-N 1 1 289.419 3.449 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H](Cc1ccccc1)C(=O)OC ZINC001209432909 814033458 /nfs/dbraw/zinc/03/34/58/814033458.db2.gz MTPQDTYAEZAMQU-KRWDZBQOSA-N 1 1 289.419 3.449 20 30 CGEDMO C=CCCCCCC[N@@H+]1C[C@H](C)C[C@H](C(=O)OC)C1 ZINC001209436408 814037150 /nfs/dbraw/zinc/03/71/50/814037150.db2.gz QTLGDUIZJSEYFN-CABCVRRESA-N 1 1 267.413 3.254 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CC[C@@H](C(=O)OCC)C1 ZINC001209438247 814038095 /nfs/dbraw/zinc/03/80/95/814038095.db2.gz CUWMXHHCAYRLQK-OAHLLOKOSA-N 1 1 267.413 3.398 20 30 CGEDMO C=CCCCCCC[N@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001209438930 814038621 /nfs/dbraw/zinc/03/86/21/814038621.db2.gz YHWJSZSCWYGOPY-IYBDPMFKSA-N 1 1 250.430 3.006 20 30 CGEDMO C=CCCCCCC[N@@H+]1C[C@H]2CN(CC)C[C@H]2C1 ZINC001209438930 814038625 /nfs/dbraw/zinc/03/86/25/814038625.db2.gz YHWJSZSCWYGOPY-IYBDPMFKSA-N 1 1 250.430 3.006 20 30 CGEDMO C=CCCCCCC[N@H+]1C[C@H]2CN(CC)C[C@H]2C1 ZINC001209438930 814038628 /nfs/dbraw/zinc/03/86/28/814038628.db2.gz YHWJSZSCWYGOPY-IYBDPMFKSA-N 1 1 250.430 3.006 20 30 CGEDMO C=CCCCCCCC[N@@H+]1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001209438687 814039765 /nfs/dbraw/zinc/03/97/65/814039765.db2.gz SPRPMVHNEACXHC-KGLIPLIRSA-N 1 1 273.367 3.479 20 30 CGEDMO C=CCCCCCC[N@@H+]1C[C@@H](C(=O)OC)C2(CC2)C1 ZINC001209438639 814039936 /nfs/dbraw/zinc/03/99/36/814039936.db2.gz QGXXEMGZGIFNMW-AWEZNQCLSA-N 1 1 265.397 3.008 20 30 CGEDMO C=CCCCCCCC[N@H+]1CCOC2(CCOCC2)C1 ZINC001209441817 814042068 /nfs/dbraw/zinc/04/20/68/814042068.db2.gz KNJUIHJKHVWMPV-UHFFFAOYSA-N 1 1 281.440 3.394 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC001209442570 814044155 /nfs/dbraw/zinc/04/41/55/814044155.db2.gz VMDIWJLEFKROJE-OAHLLOKOSA-N 1 1 287.469 3.022 20 30 CGEDMO CCCC[N@H+](CCC#N)C[C@@H](CC)NC(=O)OC(C)(C)C ZINC001209459687 814049968 /nfs/dbraw/zinc/04/99/68/814049968.db2.gz ZSUBQOLJSAFBBX-CQSZACIVSA-N 1 1 297.443 3.305 20 30 CGEDMO CCCC[N@@H+](CCC#N)C[C@@H](CC)NC(=O)OC(C)(C)C ZINC001209459687 814049969 /nfs/dbraw/zinc/04/99/69/814049969.db2.gz ZSUBQOLJSAFBBX-CQSZACIVSA-N 1 1 297.443 3.305 20 30 CGEDMO Cc1cccc2c(C[N@@H+]3CC[C@](C)(C#N)C3)c[nH]c21 ZINC001209494324 814063060 /nfs/dbraw/zinc/06/30/60/814063060.db2.gz PBRGVQYVRHQRAY-MRXNPFEDSA-N 1 1 253.349 3.212 20 30 CGEDMO Cc1cccc2c(C[N@H+]3CC[C@](C)(C#N)C3)c[nH]c21 ZINC001209494324 814063065 /nfs/dbraw/zinc/06/30/65/814063065.db2.gz PBRGVQYVRHQRAY-MRXNPFEDSA-N 1 1 253.349 3.212 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(OC)c2F)C1 ZINC001209700461 814116695 /nfs/dbraw/zinc/11/66/95/814116695.db2.gz IHKZSOTZGTVHCN-LLVKDONJSA-N 1 1 281.758 3.333 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(OC)c2F)C1 ZINC001209700461 814116698 /nfs/dbraw/zinc/11/66/98/814116698.db2.gz IHKZSOTZGTVHCN-LLVKDONJSA-N 1 1 281.758 3.333 20 30 CGEDMO COc1ccc(C2=CC(=O)C[C@@H](C)C2)cc1C[NH+](C)C ZINC001242744422 823119872 /nfs/dbraw/zinc/11/98/72/823119872.db2.gz KSTPSXJTGMXMEO-LBPRGKRZSA-N 1 1 273.376 3.139 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)CCCCC)C1 ZINC001211211948 814850635 /nfs/dbraw/zinc/85/06/35/814850635.db2.gz MYMQIFZICZYKAQ-OWCLPIDISA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2C[N@H+](CC(=C)C)C[C@H]2C)CCCC1 ZINC001211492650 814896096 /nfs/dbraw/zinc/89/60/96/814896096.db2.gz HSUOTMGXRDAPDQ-HZPDHXFCSA-N 1 1 290.451 3.136 20 30 CGEDMO CCc1cc(Nc2cnc3c(c2)C[N@H+](C)CC3)ccc1C#N ZINC001216315934 815778064 /nfs/dbraw/zinc/77/80/64/815778064.db2.gz UFMXMDDQCQDBSH-UHFFFAOYSA-N 1 1 292.386 3.247 20 30 CGEDMO C=CC[C@@H](CCCC)Oc1ccc(C(=O)C[NH3+])cc1 ZINC001218439991 816214562 /nfs/dbraw/zinc/21/45/62/816214562.db2.gz YJPGMVBINLFYRT-AWEZNQCLSA-N 1 1 261.365 3.342 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C)[C@@H]2C1 ZINC001221735786 816323895 /nfs/dbraw/zinc/32/38/95/816323895.db2.gz WGINNMNCGZZPKU-QBPKDAKJSA-N 1 1 292.467 3.146 20 30 CGEDMO N#Cc1cccc(CN2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001222161112 816366049 /nfs/dbraw/zinc/36/60/49/816366049.db2.gz LKBJDWHNPAYBSU-LJQANCHMSA-N 1 1 297.446 3.304 20 30 CGEDMO C[N@H+]1CCC[C@@H](OCc2ccc(C(C)(C)C#N)cc2)C1 ZINC001223153199 816578786 /nfs/dbraw/zinc/57/87/86/816578786.db2.gz NETNRSXWVNQNGR-MRXNPFEDSA-N 1 1 272.392 3.099 20 30 CGEDMO C=CCCCCO[C@H]1COCC[N@@H+](Cc2ccccc2)C1 ZINC001224335754 816780895 /nfs/dbraw/zinc/78/08/95/816780895.db2.gz WMSLTCRWSHNXST-GOSISDBHSA-N 1 1 289.419 3.260 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCC1CC[NH+](CC(=C)Cl)CC1 ZINC001224394232 816792079 /nfs/dbraw/zinc/79/20/79/816792079.db2.gz ZZVISKIKEMEDPM-INIZCTEOSA-N 1 1 298.858 3.169 20 30 CGEDMO C=CCCCCCCCO[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001224507974 816817095 /nfs/dbraw/zinc/81/70/95/816817095.db2.gz PASBBDYMKMPFMR-FHORWPOSSA-N 1 1 279.424 3.142 20 30 CGEDMO C=CCCCCCCCO[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001224507974 816817102 /nfs/dbraw/zinc/81/71/02/816817102.db2.gz PASBBDYMKMPFMR-FHORWPOSSA-N 1 1 279.424 3.142 20 30 CGEDMO C#C[C@@H](CC)OC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001224830143 816891695 /nfs/dbraw/zinc/89/16/95/816891695.db2.gz MOVAEZZNUFPPLS-MSOLQXFVSA-N 1 1 271.404 3.327 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OCC#CC1CC1 ZINC001224851305 816894299 /nfs/dbraw/zinc/89/42/99/816894299.db2.gz YLDMOBYQVYCCCD-APWZRJJASA-N 1 1 283.415 3.327 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](Oc2ccc(C#N)cc2Cl)C1 ZINC001225727361 817158253 /nfs/dbraw/zinc/15/82/53/817158253.db2.gz OYGIDTVNSGRKQW-LBPRGKRZSA-N 1 1 264.756 3.073 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H](Oc2nc(C3CC3)ccc2C#N)C1 ZINC001226263672 817315491 /nfs/dbraw/zinc/31/54/91/817315491.db2.gz FGMJOUHISJUHPW-OAHLLOKOSA-N 1 1 285.391 3.082 20 30 CGEDMO CC(C)c1ccc(C#N)c(O[C@@H]2CCC[N@H+](C(C)C)C2)n1 ZINC001226354706 817334039 /nfs/dbraw/zinc/33/40/39/817334039.db2.gz ZMOFMBKHFKADSN-OAHLLOKOSA-N 1 1 287.407 3.328 20 30 CGEDMO C[N@H+]1CCC[C@H](Oc2nc(C(C)(C)C)ccc2C#N)CC1 ZINC001226547159 817393584 /nfs/dbraw/zinc/39/35/84/817393584.db2.gz QZBYQGRGJYSFSU-AWEZNQCLSA-N 1 1 287.407 3.114 20 30 CGEDMO Cc1cc(OC2C[NH+](C(C)(C)C)C2)cc(C)c1C#N ZINC001226831579 817478082 /nfs/dbraw/zinc/47/80/82/817478082.db2.gz KHTXIOHCKRLGBJ-UHFFFAOYSA-N 1 1 258.365 3.037 20 30 CGEDMO CC(C)(C)[NH+]1CC(Oc2ccc(C(F)(F)F)cc2C#N)C1 ZINC001226999267 817530410 /nfs/dbraw/zinc/53/04/10/817530410.db2.gz LECDSCZGQOMXRQ-UHFFFAOYSA-N 1 1 298.308 3.439 20 30 CGEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(C#N)c(Cl)c1)C2 ZINC001227203999 817589521 /nfs/dbraw/zinc/58/95/21/817589521.db2.gz FEZLZTLUTWXSLB-IMRBUKKESA-N 1 1 276.767 3.216 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H](Oc2cccc3nc(C#N)ccc32)C1 ZINC001227798779 817723384 /nfs/dbraw/zinc/72/33/84/817723384.db2.gz WUNSTHTYXNOLNY-HNNXBMFYSA-N 1 1 295.386 3.358 20 30 CGEDMO C#CC[C@H](C)Oc1ccc(Br)c(C[NH+](C)C)c1 ZINC001228546390 817934460 /nfs/dbraw/zinc/93/44/60/817934460.db2.gz VVYYMJKQZOJPGE-NSHDSACASA-N 1 1 296.208 3.301 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)CCC1CC1 ZINC001231350652 818082271 /nfs/dbraw/zinc/08/22/71/818082271.db2.gz UBLOQNYBSNCJAE-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(OCCCOC)c(OCC)c1 ZINC001231547360 818124731 /nfs/dbraw/zinc/12/47/31/818124731.db2.gz BYMNFXGKLFJMPE-UHFFFAOYSA-N 1 1 293.407 3.118 20 30 CGEDMO O[C@H]1CCC[N@@H+](Cc2ccccc2C#Cc2ccccc2)C1 ZINC001231577561 818125762 /nfs/dbraw/zinc/12/57/62/818125762.db2.gz XKPPZCIBEWASMU-FQEVSTJZSA-N 1 1 291.394 3.043 20 30 CGEDMO Cc1cccc(C[N@H+]2CCc3ccc(C#N)cc3C2)c1O ZINC001231591310 818131297 /nfs/dbraw/zinc/13/12/97/818131297.db2.gz AIMGVGXAAXKDGD-UHFFFAOYSA-N 1 1 278.355 3.131 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+]1CCc2ccc(C)cc2C1 ZINC001231617123 818138471 /nfs/dbraw/zinc/13/84/71/818138471.db2.gz XBVXTLLQRKVQFS-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCc2ccc(C)cc2C1 ZINC001231617123 818138479 /nfs/dbraw/zinc/13/84/79/818138479.db2.gz XBVXTLLQRKVQFS-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CCC[C@@H]2c2cc(C)on2)c1 ZINC001231657020 818149859 /nfs/dbraw/zinc/14/98/59/818149859.db2.gz VJANNDKXORSNSM-QGZVFWFLSA-N 1 1 266.344 3.301 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CCC[C@@H]2c2cc(C)on2)c1 ZINC001231657020 818149864 /nfs/dbraw/zinc/14/98/64/818149864.db2.gz VJANNDKXORSNSM-QGZVFWFLSA-N 1 1 266.344 3.301 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)c1 ZINC001231656743 818150478 /nfs/dbraw/zinc/15/04/78/818150478.db2.gz QEJBVGGZXWQZRH-SJORKVTESA-N 1 1 267.372 3.002 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)c1 ZINC001231656743 818150482 /nfs/dbraw/zinc/15/04/82/818150482.db2.gz QEJBVGGZXWQZRH-SJORKVTESA-N 1 1 267.372 3.002 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CC[C@@](CF)(C(F)(F)F)C2)c1 ZINC001231657329 818150693 /nfs/dbraw/zinc/15/06/93/818150693.db2.gz IYKAANBYEWIUPS-AWEZNQCLSA-N 1 1 285.284 3.392 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CCC(=O)[C@H]3CCCC[C@H]32)c1 ZINC001231656740 818151019 /nfs/dbraw/zinc/15/10/19/818151019.db2.gz QEJBVGGZXWQZRH-DLBZAZTESA-N 1 1 267.372 3.002 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CCC(=O)[C@H]3CCCC[C@H]32)c1 ZINC001231656740 818151023 /nfs/dbraw/zinc/15/10/23/818151023.db2.gz QEJBVGGZXWQZRH-DLBZAZTESA-N 1 1 267.372 3.002 20 30 CGEDMO C#Cc1cccc(C[N@H+](Cc2ccccc2)CC(C)(C)O)c1 ZINC001231661625 818151635 /nfs/dbraw/zinc/15/16/35/818151635.db2.gz WELXUOWYKNLIDL-UHFFFAOYSA-N 1 1 293.410 3.441 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CCC[C@@H]2C(C)(C)OC)c1 ZINC001231663257 818154084 /nfs/dbraw/zinc/15/40/84/818154084.db2.gz PGLNMXNZLDNQQK-MRXNPFEDSA-N 1 1 257.377 3.057 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(N(C)C)cc1OC ZINC001231854466 818188664 /nfs/dbraw/zinc/18/86/64/818188664.db2.gz HIXVZIMKOBXXMY-UHFFFAOYSA-N 1 1 262.397 3.159 20 30 CGEDMO CCCCCCCC[N@@H+](C)Cc1cnc(OC)cn1 ZINC001231938369 818214197 /nfs/dbraw/zinc/21/41/97/818214197.db2.gz WQXRVKZYIFDHJW-UHFFFAOYSA-N 1 1 265.401 3.278 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ncccc1Cl ZINC001231958744 818216198 /nfs/dbraw/zinc/21/61/98/818216198.db2.gz BKGLVKVPBYPCAD-CNDDSTCGSA-N 1 1 261.756 3.002 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ncccc1Cl ZINC001231958744 818216203 /nfs/dbraw/zinc/21/62/03/818216203.db2.gz BKGLVKVPBYPCAD-CNDDSTCGSA-N 1 1 261.756 3.002 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2ccnc3c(F)cccc23)C1 ZINC001232209175 818277323 /nfs/dbraw/zinc/27/73/23/818277323.db2.gz LNYBENSIDFIXFR-CYBMUJFWSA-N 1 1 283.350 3.500 20 30 CGEDMO Cc1c(F)cc(C[NH+]2CCC(C)(C#N)CC2)cc1F ZINC001232424451 818345761 /nfs/dbraw/zinc/34/57/61/818345761.db2.gz MUXMOEXMIRGUBG-UHFFFAOYSA-N 1 1 264.319 3.399 20 30 CGEDMO CC[N@H+](Cc1cc(C#N)ccc1[O-])Cc1ccccc1F ZINC001232677136 818416518 /nfs/dbraw/zinc/41/65/18/818416518.db2.gz BDQWUAUODMFIAP-UHFFFAOYSA-N 1 1 284.334 3.425 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2cccc(O)c2Cl)CC1 ZINC001232788278 818441248 /nfs/dbraw/zinc/44/12/48/818441248.db2.gz LUBRELIRDPMDHR-LLVKDONJSA-N 1 1 264.756 3.171 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2cccc(O)c2Cl)CC1 ZINC001232788278 818441252 /nfs/dbraw/zinc/44/12/52/818441252.db2.gz LUBRELIRDPMDHR-LLVKDONJSA-N 1 1 264.756 3.171 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](C(=O)c3ccccc3)C2)s1 ZINC001232844992 818454427 /nfs/dbraw/zinc/45/44/27/818454427.db2.gz IHSXHIHNSDQNIU-AWEZNQCLSA-N 1 1 296.395 3.325 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](C(=O)c3ccccc3)C2)s1 ZINC001232844992 818454433 /nfs/dbraw/zinc/45/44/33/818454433.db2.gz IHSXHIHNSDQNIU-AWEZNQCLSA-N 1 1 296.395 3.325 20 30 CGEDMO COc1ccc(CC[N@@H+](C)Cc2cc(F)ccc2C#N)cc1 ZINC001232891613 818467147 /nfs/dbraw/zinc/46/71/47/818467147.db2.gz MBQKWDBUEZVOKO-UHFFFAOYSA-N 1 1 298.361 3.380 20 30 CGEDMO CC[C@H](c1ccccc1)[N@H+](C)Cc1[nH]ccc1C#N ZINC001233048046 818509825 /nfs/dbraw/zinc/50/98/25/818509825.db2.gz SZGCENRQNGAWSG-MRXNPFEDSA-N 1 1 253.349 3.469 20 30 CGEDMO CC[C@H](c1ccccc1)[N@@H+](C)Cc1[nH]ccc1C#N ZINC001233048046 818509831 /nfs/dbraw/zinc/50/98/31/818509831.db2.gz SZGCENRQNGAWSG-MRXNPFEDSA-N 1 1 253.349 3.469 20 30 CGEDMO CN(C)c1ccc(C[N@@H+](C)C2CCCC2)c(F)c1C#N ZINC001233100709 818522165 /nfs/dbraw/zinc/52/21/65/818522165.db2.gz MKEWUAVVNGMFLS-UHFFFAOYSA-N 1 1 275.371 3.138 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1cccc2c1CCO2 ZINC001233276399 818562803 /nfs/dbraw/zinc/56/28/03/818562803.db2.gz LCATXCGCWDFTNL-UHFFFAOYSA-N 1 1 258.365 3.137 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1cccc2c1CCO2 ZINC001233276399 818562808 /nfs/dbraw/zinc/56/28/08/818562808.db2.gz LCATXCGCWDFTNL-UHFFFAOYSA-N 1 1 258.365 3.137 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cc3cccnc3s2)C1 ZINC001233348173 818592506 /nfs/dbraw/zinc/59/25/06/818592506.db2.gz QKIOULGFSQOIRJ-LBPRGKRZSA-N 1 1 271.389 3.422 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)c([O-])c1 ZINC001233387209 818606140 /nfs/dbraw/zinc/60/61/40/818606140.db2.gz ZSKDHTGRFGMMSQ-OAHLLOKOSA-N 1 1 296.345 3.392 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)c(O)c1 ZINC001233387209 818606142 /nfs/dbraw/zinc/60/61/42/818606142.db2.gz ZSKDHTGRFGMMSQ-OAHLLOKOSA-N 1 1 296.345 3.392 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)c(O)c1 ZINC001233387209 818606145 /nfs/dbraw/zinc/60/61/45/818606145.db2.gz ZSKDHTGRFGMMSQ-OAHLLOKOSA-N 1 1 296.345 3.392 20 30 CGEDMO Cc1ccccc1C[N@@H+](C)Cc1ccc(C#N)cc1O ZINC001233385595 818607356 /nfs/dbraw/zinc/60/73/56/818607356.db2.gz NNXVZSTULSZMRV-UHFFFAOYSA-N 1 1 266.344 3.204 20 30 CGEDMO Cc1ccccc1C[N@H+](C)Cc1ccc(C#N)cc1O ZINC001233385595 818607357 /nfs/dbraw/zinc/60/73/57/818607357.db2.gz NNXVZSTULSZMRV-UHFFFAOYSA-N 1 1 266.344 3.204 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)C1CC1 ZINC001233531449 818635171 /nfs/dbraw/zinc/63/51/71/818635171.db2.gz ZFVBWYLMBZGAEQ-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO N#Cc1cccc2ccc(O[C@H]3CCc4[nH+]ccn4C3)cc12 ZINC001233566896 818644598 /nfs/dbraw/zinc/64/45/98/818644598.db2.gz XGLABVUCYPRKIH-INIZCTEOSA-N 1 1 289.338 3.302 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)=C1CCCC1 ZINC001233590918 818650664 /nfs/dbraw/zinc/65/06/64/818650664.db2.gz UUOSLCRJWFATNR-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO CC[N@H+]1CC[C@H](Oc2cc(C#N)cc(C(F)(F)F)c2)C1 ZINC001233659836 818672730 /nfs/dbraw/zinc/67/27/30/818672730.db2.gz XOKMVAZTKIHANY-LBPRGKRZSA-N 1 1 284.281 3.050 20 30 CGEDMO C[N@H+]1CCC[C@@H](Oc2cc(C(F)(F)F)ccc2C#N)C1 ZINC001233733238 818692795 /nfs/dbraw/zinc/69/27/95/818692795.db2.gz ZMQFKSTXTCUCCU-GFCCVEGCSA-N 1 1 284.281 3.050 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H](Oc2ccc(Cl)c(C#N)c2)C1 ZINC001233923734 818731409 /nfs/dbraw/zinc/73/14/09/818731409.db2.gz KSWJSJIQOKXMOJ-AWEZNQCLSA-N 1 1 278.783 3.463 20 30 CGEDMO C#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1C[C@H](C)CC(C)C ZINC001233948464 818737630 /nfs/dbraw/zinc/73/76/30/818737630.db2.gz WHJIYCOFGYBVOG-SJORKVTESA-N 1 1 292.467 3.005 20 30 CGEDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1ccc2cc(C#N)[nH]c2c1 ZINC001233994602 818749725 /nfs/dbraw/zinc/74/97/25/818749725.db2.gz SNPQZZOBTKZGMI-UOIKSKOESA-N 1 1 295.386 3.149 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)C ZINC001234170027 818797343 /nfs/dbraw/zinc/79/73/43/818797343.db2.gz HLKNNXNXCBBJGV-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO CCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234215646 818802833 /nfs/dbraw/zinc/80/28/33/818802833.db2.gz NZPNXEPVJVITNO-INIZCTEOSA-N 1 1 292.467 3.149 20 30 CGEDMO C[C@H](C#C[Si](C)(C)C)Oc1cccc2c1CC[N@@H+](C)C2 ZINC001234424048 818852259 /nfs/dbraw/zinc/85/22/59/818852259.db2.gz NZYBPTWRMAQZGL-CQSZACIVSA-N 1 1 287.479 3.323 20 30 CGEDMO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@H+]1CCC(C)(C)C ZINC001234614417 818892325 /nfs/dbraw/zinc/89/23/25/818892325.db2.gz RMRZREBFVALDIX-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(CC)CC ZINC001234614735 818892333 /nfs/dbraw/zinc/89/23/33/818892333.db2.gz UNPGXKRLQJIIDY-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1CCCCC ZINC001234624563 818895106 /nfs/dbraw/zinc/89/51/06/818895106.db2.gz DSIFYPMZIMRAFP-HNNXBMFYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(-c2nnc(C)o2)cc1 ZINC001235053699 818991566 /nfs/dbraw/zinc/99/15/66/818991566.db2.gz GJMGIHIRTPAUED-UHFFFAOYSA-N 1 1 271.364 3.443 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cccc(N2CCOCC2)c1 ZINC001235081417 818996845 /nfs/dbraw/zinc/99/68/45/818996845.db2.gz CLFVZUCPNQIHKV-UHFFFAOYSA-N 1 1 288.435 3.311 20 30 CGEDMO C=CCCCCCCCCN1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001235255179 819050706 /nfs/dbraw/zinc/05/07/06/819050706.db2.gz CZDGMESBVJWNPA-HOTGVXAUSA-N 1 1 250.430 3.197 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)C1CCCC1 ZINC001235437385 819100420 /nfs/dbraw/zinc/10/04/20/819100420.db2.gz FWSQSPWBUZNVSF-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCNC[C@H]2C(C)C)CC1 ZINC001235452310 819102498 /nfs/dbraw/zinc/10/24/98/819102498.db2.gz CYSULDBIDYJDED-SJORKVTESA-N 1 1 262.441 3.219 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCNC[C@H]2C(C)C)CC1 ZINC001235452310 819102501 /nfs/dbraw/zinc/10/25/01/819102501.db2.gz CYSULDBIDYJDED-SJORKVTESA-N 1 1 262.441 3.219 20 30 CGEDMO C=CCCC(=O)NCCC[N@H+](C)Cc1ccc(C)c(F)c1 ZINC001235451075 819103243 /nfs/dbraw/zinc/10/32/43/819103243.db2.gz BXOPNWKYVHZVGE-UHFFFAOYSA-N 1 1 292.398 3.038 20 30 CGEDMO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccccc2CC#N)no1 ZINC001235510539 819113051 /nfs/dbraw/zinc/11/30/51/819113051.db2.gz BSRUGNOXWMBFSH-KRWDZBQOSA-N 1 1 281.359 3.386 20 30 CGEDMO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccccc2CC#N)no1 ZINC001235510539 819113056 /nfs/dbraw/zinc/11/30/56/819113056.db2.gz BSRUGNOXWMBFSH-KRWDZBQOSA-N 1 1 281.359 3.386 20 30 CGEDMO C=CCCCCCCCC[N@H+]1C[C@@H]2CC[C@]2(N)C1 ZINC001235981087 819257637 /nfs/dbraw/zinc/25/76/37/819257637.db2.gz UKIBBLQVMZNSAA-HOTGVXAUSA-N 1 1 250.430 3.326 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1C[C@@H]2CC[C@]2(N)C1 ZINC001235981087 819257645 /nfs/dbraw/zinc/25/76/45/819257645.db2.gz UKIBBLQVMZNSAA-HOTGVXAUSA-N 1 1 250.430 3.326 20 30 CGEDMO C=CCCCCCCCCN1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235981087 819257652 /nfs/dbraw/zinc/25/76/52/819257652.db2.gz UKIBBLQVMZNSAA-HOTGVXAUSA-N 1 1 250.430 3.326 20 30 CGEDMO CCc1ccc(C[N@H+]2CCc3ccc(C#N)cc3C2)c(O)c1 ZINC001236783054 819593439 /nfs/dbraw/zinc/59/34/39/819593439.db2.gz HNTOFQIWZIYTJN-UHFFFAOYSA-N 1 1 292.382 3.385 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(-n3ccnc3)cc2Cl)C1 ZINC001236915873 819636766 /nfs/dbraw/zinc/63/67/66/819636766.db2.gz GBOBGKXCIKWWEF-AWEZNQCLSA-N 1 1 299.805 3.371 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(F)c(N3CCCC3)c2)C1 ZINC001237088011 819663955 /nfs/dbraw/zinc/66/39/55/819663955.db2.gz ALJDVZZYXRCSCC-HNNXBMFYSA-N 1 1 286.394 3.271 20 30 CGEDMO CC[N@H+](CCC#N)Cc1cc(C(F)(F)F)ccc1O ZINC001237139337 819677010 /nfs/dbraw/zinc/67/70/10/819677010.db2.gz LEIFDGFSYSKTQX-UHFFFAOYSA-N 1 1 272.270 3.147 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1cc(C(F)(F)F)ccc1O ZINC001237139337 819677013 /nfs/dbraw/zinc/67/70/13/819677013.db2.gz LEIFDGFSYSKTQX-UHFFFAOYSA-N 1 1 272.270 3.147 20 30 CGEDMO COc1cccc(C[N@@H+]2CCC[C@H](C#N)CC2)c1Cl ZINC001237193379 819694741 /nfs/dbraw/zinc/69/47/41/819694741.db2.gz JYTAUUCYLCIRQF-LBPRGKRZSA-N 1 1 278.783 3.474 20 30 CGEDMO COc1cccc(C[N@H+]2CCC[C@H](C#N)CC2)c1Cl ZINC001237193379 819694744 /nfs/dbraw/zinc/69/47/44/819694744.db2.gz JYTAUUCYLCIRQF-LBPRGKRZSA-N 1 1 278.783 3.474 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccncc2C(F)(F)F)CC1 ZINC001237291828 819719730 /nfs/dbraw/zinc/71/97/30/819719730.db2.gz HUCLJWUSBZDSOR-LLVKDONJSA-N 1 1 283.297 3.226 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2ccncc2C(F)(F)F)CC1 ZINC001237291828 819719736 /nfs/dbraw/zinc/71/97/36/819719736.db2.gz HUCLJWUSBZDSOR-LLVKDONJSA-N 1 1 283.297 3.226 20 30 CGEDMO C=CC[NH+]1CCN(Cc2c(C)cc(Cl)cc2C)CC1 ZINC001237356891 819734778 /nfs/dbraw/zinc/73/47/78/819734778.db2.gz VMWFLEYRDWFXFE-UHFFFAOYSA-N 1 1 278.827 3.260 20 30 CGEDMO Cn1cc(C[N@H+]2CCC3(CCC3)C2)c2cc(C#N)ccc21 ZINC001237473867 819759241 /nfs/dbraw/zinc/75/92/41/819759241.db2.gz XIXRLMFGGJAXFN-UHFFFAOYSA-N 1 1 279.387 3.426 20 30 CGEDMO C=CC[NH+]1CCN(Cc2cccc3c(F)cccc23)CC1 ZINC001237514049 819767382 /nfs/dbraw/zinc/76/73/82/819767382.db2.gz CWWYPUBVAUDQPS-UHFFFAOYSA-N 1 1 284.378 3.283 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CC[C@H](c3ccccn3)C2)c(F)cc1F ZINC001237527510 819772443 /nfs/dbraw/zinc/77/24/43/819772443.db2.gz VFPNMKLBFVVVNN-LBPRGKRZSA-N 1 1 299.324 3.221 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@H](c3ccccn3)C2)c(F)cc1F ZINC001237527510 819772447 /nfs/dbraw/zinc/77/24/47/819772447.db2.gz VFPNMKLBFVVVNN-LBPRGKRZSA-N 1 1 299.324 3.221 20 30 CGEDMO C[C@@H]1CC[N@H+](Cc2cc(C#N)c(F)cc2F)[C@@H](C)C1 ZINC001237535356 819774251 /nfs/dbraw/zinc/77/42/51/819774251.db2.gz XNOTWBCQUMRANB-MNOVXSKESA-N 1 1 264.319 3.457 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cc(C#N)c(F)cc2F)[C@@H](C)C1 ZINC001237535356 819774254 /nfs/dbraw/zinc/77/42/54/819774254.db2.gz XNOTWBCQUMRANB-MNOVXSKESA-N 1 1 264.319 3.457 20 30 CGEDMO N#C[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(O)cc3)cc2)C1 ZINC001237666066 819802506 /nfs/dbraw/zinc/80/25/06/819802506.db2.gz PLPLPWRIDHHAAG-HNNXBMFYSA-N 1 1 278.355 3.405 20 30 CGEDMO N#C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(O)cc3)cc2)C1 ZINC001237666066 819802514 /nfs/dbraw/zinc/80/25/14/819802514.db2.gz PLPLPWRIDHHAAG-HNNXBMFYSA-N 1 1 278.355 3.405 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)c1 ZINC001237753101 819838181 /nfs/dbraw/zinc/83/81/81/819838181.db2.gz KVCZETHNCMWRPG-UKRRQHHQSA-N 1 1 288.778 3.013 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(-c2ccc(C(=O)OC)cc2)cc1 ZINC001237824906 819853529 /nfs/dbraw/zinc/85/35/29/819853529.db2.gz KKJGRTLHYFDMQO-UHFFFAOYSA-N 1 1 293.366 3.205 20 30 CGEDMO CCOc1cc(F)cc(C[N@H+]2CCC[C@@H](C#N)CC2)c1 ZINC001237918681 819880902 /nfs/dbraw/zinc/88/09/02/819880902.db2.gz AHDYHTYOZQWJBY-CYBMUJFWSA-N 1 1 276.355 3.350 20 30 CGEDMO C=CC[N@H+](Cc1cc(OC)cnc1F)C(C)(C)C ZINC001238126480 819940738 /nfs/dbraw/zinc/94/07/38/819940738.db2.gz OUWOVNISFNKNBH-UHFFFAOYSA-N 1 1 252.333 3.016 20 30 CGEDMO C=CC[N@@H+](Cc1cc(OC)cnc1F)C(C)(C)C ZINC001238126480 819940732 /nfs/dbraw/zinc/94/07/32/819940732.db2.gz OUWOVNISFNKNBH-UHFFFAOYSA-N 1 1 252.333 3.016 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ncc(C)c(OC)c1C ZINC001238175722 819947913 /nfs/dbraw/zinc/94/79/13/819947913.db2.gz XQBROYRQKQOBQU-UHFFFAOYSA-N 1 1 262.397 3.495 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(Cl)c(C#N)c2)CCC[C@@]1(C)O ZINC001238188398 819951370 /nfs/dbraw/zinc/95/13/70/819951370.db2.gz CNVYDYAFJRPHQB-BLLLJJGKSA-N 1 1 292.810 3.195 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(Cl)c(C#N)c2)CCC[C@]1(C)O ZINC001238188401 819951488 /nfs/dbraw/zinc/95/14/88/819951488.db2.gz CNVYDYAFJRPHQB-WBMJQRKESA-N 1 1 292.810 3.195 20 30 CGEDMO N#Cc1cc(C[NH+]2CCC(F)CC2)ccc1Cl ZINC001238193360 819952152 /nfs/dbraw/zinc/95/21/52/819952152.db2.gz CFZLCKBSDVSIEF-UHFFFAOYSA-N 1 1 252.720 3.146 20 30 CGEDMO N#Cc1cc(C[N@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)ccc1Cl ZINC001238195461 819952577 /nfs/dbraw/zinc/95/25/77/819952577.db2.gz HHYZTGSHOODDJC-TZMCWYRMSA-N 1 1 288.778 3.013 20 30 CGEDMO C=CC[NH+]1CCN(Cc2ccc(Cl)c(C)c2F)CC1 ZINC001238517986 820035951 /nfs/dbraw/zinc/03/59/51/820035951.db2.gz HFBLDPBCNRBLPU-UHFFFAOYSA-N 1 1 282.790 3.091 20 30 CGEDMO COc1cc(C)cc(F)c1C[NH+]1CCC(C)(C#N)CC1 ZINC001238590611 820052985 /nfs/dbraw/zinc/05/29/85/820052985.db2.gz HMJKAUGGNBYXPQ-UHFFFAOYSA-N 1 1 276.355 3.268 20 30 CGEDMO CSc1ncc(C)cc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001238715573 820100037 /nfs/dbraw/zinc/10/00/37/820100037.db2.gz BWQVZVJRAQLRKS-CYBMUJFWSA-N 1 1 275.421 3.238 20 30 CGEDMO C[N@H+]1CCc2cc(-c3ccc(OCC#N)cc3)ccc2C1 ZINC001243592457 823459757 /nfs/dbraw/zinc/45/97/57/823459757.db2.gz KZLTTZMPYBWWBN-UHFFFAOYSA-N 1 1 278.355 3.244 20 30 CGEDMO N#Cc1ccnc(C2=CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001240385500 821008776 /nfs/dbraw/zinc/00/87/76/821008776.db2.gz VZCMADROZGYXJO-UHFFFAOYSA-N 1 1 275.355 3.243 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1-c1ccc(C(C)(C)C#N)nc1 ZINC001241242910 821663109 /nfs/dbraw/zinc/66/31/09/821663109.db2.gz LRWONWHLMKEJSP-UHFFFAOYSA-N 1 1 280.375 3.319 20 30 CGEDMO Cc1cc(-c2c[nH+]c(N(C)C)cc2C)cc(F)c1C#N ZINC001241248349 821670376 /nfs/dbraw/zinc/67/03/76/821670376.db2.gz GGRMHOOYNAINPU-UHFFFAOYSA-N 1 1 269.323 3.442 20 30 CGEDMO C=C1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001335416572 936144827 /nfs/dbraw/zinc/14/48/27/936144827.db2.gz JIEUBSVYNBYUEQ-MRXNPFEDSA-N 1 1 293.455 3.003 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001340616696 936409024 /nfs/dbraw/zinc/40/90/24/936409024.db2.gz SQCSRQSPZMKXIA-WMZOPIPTSA-N 1 1 284.403 3.176 20 30 CGEDMO C[N@H+](Cc1cc(Cl)cc(C#N)c1)C[C@H]1CCCC[C@@H]1O ZINC001340762306 936413577 /nfs/dbraw/zinc/41/35/77/936413577.db2.gz RTDUNXHCMUSXNC-ZBFHGGJFSA-N 1 1 292.810 3.195 20 30 CGEDMO C=CCC[N@H+](C)CCc1ccccc1Br ZINC001559756913 938234422 /nfs/dbraw/zinc/23/44/22/938234422.db2.gz NFPVFLQJDFWDEL-UHFFFAOYSA-N 1 1 268.198 3.500 20 30 CGEDMO C#CCC1(c2nc([C@H]([NH3+])c3ccccc3)no2)CCCCC1 ZINC001345932435 936830696 /nfs/dbraw/zinc/83/06/96/936830696.db2.gz WYKVUVZRBBJXCD-OAHLLOKOSA-N 1 1 295.386 3.343 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC001479909784 936922902 /nfs/dbraw/zinc/92/29/02/936922902.db2.gz QDKUIXYUMBEKQY-JKSUJKDBSA-N 1 1 290.451 3.278 20 30 CGEDMO CC[C@@H]([NH2+]Cc1cnc(C)o1)c1cccc(C#N)c1 ZINC001350637563 936997644 /nfs/dbraw/zinc/99/76/44/936997644.db2.gz YDGYSLMUDOZBFE-OAHLLOKOSA-N 1 1 255.321 3.096 20 30 CGEDMO C=C[C@H](COC)[NH2+][C@H](C)c1cc(-c2ccccc2)no1 ZINC001350967629 937004659 /nfs/dbraw/zinc/00/46/59/937004659.db2.gz WWCQSBSWTWWQGU-TZMCWYRMSA-N 1 1 272.348 3.193 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)CC2CCC2)C1 ZINC001480074482 937015103 /nfs/dbraw/zinc/01/51/03/937015103.db2.gz JBLTVBFRMWMOTF-KRWDZBQOSA-N 1 1 292.467 3.313 20 30 CGEDMO N#CCOc1ccc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC001354238072 937095350 /nfs/dbraw/zinc/09/53/50/937095350.db2.gz VMNSMQMDELCCHY-DLBZAZTESA-N 1 1 285.391 3.018 20 30 CGEDMO CC#CC[N@H+](C)CCNC(=O)[C@@H](CC)CC1CCCCC1 ZINC001480920545 926794351 /nfs/dbraw/zinc/79/43/51/926794351.db2.gz TWKMMPRXFNRNJV-KRWDZBQOSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CCC[N@H+]2CC2CCC2)CCC1 ZINC001481056479 926874779 /nfs/dbraw/zinc/87/47/79/926874779.db2.gz KBKFLNZZQGLLTJ-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+](CCNC(=O)[C@@H]1C[C@]1(C)C(C)C)C1CC1 ZINC001481192417 926905152 /nfs/dbraw/zinc/90/51/52/926905152.db2.gz VCNFWRFQWMNPMF-FUHWJXTLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+](CCNC(=O)c1sccc1C1CC1)C1CC1 ZINC001481197495 926905597 /nfs/dbraw/zinc/90/55/97/926905597.db2.gz GVPBLBVRGQCKRN-UHFFFAOYSA-N 1 1 290.432 3.006 20 30 CGEDMO C#CCC[N@H+](CCNC(=O)[C@H](C)CCC(C)(C)C)C1CC1 ZINC001481194401 926905792 /nfs/dbraw/zinc/90/57/92/926905792.db2.gz HIQISUAKRPAFLM-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)C(=C)C)C1 ZINC001481446332 926987294 /nfs/dbraw/zinc/98/72/94/926987294.db2.gz LKOOZLDZYVPJNF-INIZCTEOSA-N 1 1 292.467 3.383 20 30 CGEDMO CC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@](C)(CC)CCC)C1 ZINC001481503411 927005516 /nfs/dbraw/zinc/00/55/16/927005516.db2.gz QBSXSCGBPKIPHA-AEFFLSMTSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)CC1CCN(C(=O)/C(C)=C/C)CC1 ZINC001481513169 927009284 /nfs/dbraw/zinc/00/92/84/927009284.db2.gz JJTIWZCLKMMQDU-NHKNYXOTSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCCC[N@H+](C)CC1CCN(C(=O)C2CC(C)C2)CC1 ZINC001481512862 927010676 /nfs/dbraw/zinc/01/06/76/927010676.db2.gz CQJKVUPXQDDOCT-UHFFFAOYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@H](C)C2CCC2)CC1 ZINC001481516219 927011223 /nfs/dbraw/zinc/01/12/23/927011223.db2.gz RJOJFWCGFYEDNP-OAHLLOKOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)[C@H]1CCC(C)=C(C)C1)C1CC1 ZINC001493372002 927011388 /nfs/dbraw/zinc/01/13/88/927011388.db2.gz IFJUKLPSYRTXLB-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C[C@@H](CC)C(C)C)C1 ZINC001481539221 927021431 /nfs/dbraw/zinc/02/14/31/927021431.db2.gz JZGTVURKLKIZJG-CVEARBPZSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@@H](C)[NH+]1CC(NC(=O)c2ccc(CC)s2)C1 ZINC001481569943 927028351 /nfs/dbraw/zinc/02/83/51/927028351.db2.gz XUMZCWURVGZIOG-GFCCVEGCSA-N 1 1 292.448 3.079 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)CC2CCC2)C1 ZINC001481760570 927082585 /nfs/dbraw/zinc/08/25/85/927082585.db2.gz ABICNKBQSQGKRN-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC(C)(C)CC(=O)N(CC)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001481768146 927084350 /nfs/dbraw/zinc/08/43/50/927084350.db2.gz FYDOMXXVBPOFON-HNNXBMFYSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC(CC[N@H+](C)CC)CC1 ZINC001482504449 927271115 /nfs/dbraw/zinc/27/11/15/927271115.db2.gz OBVDUHCZXGZUIU-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C)CCC ZINC001505424829 927280364 /nfs/dbraw/zinc/28/03/64/927280364.db2.gz VVDIQYBUXIDUFM-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)C[C@@H]1C=CCC1 ZINC001482579034 927302081 /nfs/dbraw/zinc/30/20/81/927302081.db2.gz PKFOIAQVYXGGHA-JKSUJKDBSA-N 1 1 278.440 3.088 20 30 CGEDMO CC(C)C[C@H](C)C[N@@H+](C)CCN(C)C(=O)C#CC(C)(C)C ZINC001482594989 927313551 /nfs/dbraw/zinc/31/35/51/927313551.db2.gz GYUZFBDNLMDJME-INIZCTEOSA-N 1 1 294.483 3.108 20 30 CGEDMO CCCCCCCCCC[N@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000168632402 927363182 /nfs/dbraw/zinc/36/31/82/927363182.db2.gz OASSAWOBALOLNA-HOTGVXAUSA-N 1 1 271.445 3.209 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@H](C)C(C)(C)C ZINC001483353239 927487985 /nfs/dbraw/zinc/48/79/85/927487985.db2.gz KPVFNWJVQLCKAD-KBPBESRZSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)C1CCC2(CC2)CC1 ZINC001483363523 927489768 /nfs/dbraw/zinc/48/97/68/927489768.db2.gz KXBJJOTVUCCTLF-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CNC(=O)C1(CC)CCCC1 ZINC001483690269 927576659 /nfs/dbraw/zinc/57/66/59/927576659.db2.gz XDELBCBDJLJBHQ-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO CC#CCCCC(=O)N[C@@]1(C)CC[N@@H+](CCC(C)(C)C)C1 ZINC001484055278 927669104 /nfs/dbraw/zinc/66/91/04/927669104.db2.gz ALGFEBTTXWITSK-SFHVURJKSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001484067790 927669509 /nfs/dbraw/zinc/66/95/09/927669509.db2.gz MPWHZXJPKATHEE-BQFCYCMXSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@H](F)CC2CCCCC2)C1 ZINC001484068011 927669967 /nfs/dbraw/zinc/66/99/67/927669967.db2.gz OFALKTQNIFLEFB-WBVHZDCISA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](F)CC)C1 ZINC001484055547 927670328 /nfs/dbraw/zinc/67/03/28/927670328.db2.gz ZJDUIQJGXBUPBK-HOCLYGCPSA-N 1 1 284.419 3.062 20 30 CGEDMO C=CC[N@@H+]1CCC[C@](C)(CNC(=O)C[C@@H]2CC=CCC2)C1 ZINC001484169685 927687969 /nfs/dbraw/zinc/68/79/69/927687969.db2.gz ZHIQEELVTHABBV-SJLPKXTDSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001358074446 937186928 /nfs/dbraw/zinc/18/69/28/937186928.db2.gz PEQVAJYRFXBAGP-DOTOQJQBSA-N 1 1 290.382 3.043 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC(C)C ZINC001484457636 927709992 /nfs/dbraw/zinc/70/99/92/927709992.db2.gz WUULCSCXESMVNV-HZPDHXFCSA-N 1 1 292.467 3.310 20 30 CGEDMO C#CCC[N@H+](C)Cc1ccccc1CNC(=O)CCC(=C)C ZINC001484554440 927720841 /nfs/dbraw/zinc/72/08/41/927720841.db2.gz VWBVGLDNSFZYKY-UHFFFAOYSA-N 1 1 298.430 3.114 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](C/C=C/Cl)CC1 ZINC001484721250 927744232 /nfs/dbraw/zinc/74/42/32/927744232.db2.gz DUJBHKKKGRJPDE-OAUONFCTSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CCC[N@@H+](C/C=C/Cl)CC1 ZINC001484721251 927744565 /nfs/dbraw/zinc/74/45/65/927744565.db2.gz DUJBHKKKGRJPDE-XYYIANASSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CCCC)CC1 ZINC001484721353 927746196 /nfs/dbraw/zinc/74/61/96/927746196.db2.gz GBIFMLRJKVWUCV-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@H+](C)CCCN(C)C(=O)[C@@]1(C)C=CCC1 ZINC001484755462 927755207 /nfs/dbraw/zinc/75/52/07/927755207.db2.gz UBEGFRGQFHDNBL-KRWDZBQOSA-N 1 1 278.440 3.089 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)C(C)(C)C)C(C)(C)C1 ZINC001484936455 927773510 /nfs/dbraw/zinc/77/35/10/927773510.db2.gz JFVFWJXTABXVRW-GJZGRUSLSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@H]1CCCN1C(=O)C1CC1 ZINC001485045574 927788673 /nfs/dbraw/zinc/78/86/73/927788673.db2.gz BFTIOFXRTVLPLB-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCC1 ZINC001485069128 927798682 /nfs/dbraw/zinc/79/86/82/927798682.db2.gz JKFRTSYYWDAEQR-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@@H]1C[N@H+](C)CC(C)C ZINC001485057143 927799088 /nfs/dbraw/zinc/79/90/88/927799088.db2.gz CKLLBSFVUWDCHI-OAHLLOKOSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccc(C)cc1 ZINC001485076217 927804056 /nfs/dbraw/zinc/80/40/56/927804056.db2.gz RUWLRMJLFAHGGJ-KRWDZBQOSA-N 1 1 286.419 3.108 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ccoc2C)C1 ZINC001493934288 927818092 /nfs/dbraw/zinc/81/80/92/927818092.db2.gz IRAODNXANQSACV-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)c1cccc(C)c1 ZINC001485269978 927836249 /nfs/dbraw/zinc/83/62/49/927836249.db2.gz FAVCYVVQMLVGTQ-OAHLLOKOSA-N 1 1 274.408 3.011 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)[C@H](C)C(C)(C)C)CC1 ZINC001485759394 927911714 /nfs/dbraw/zinc/91/17/14/927911714.db2.gz SIRTYFBHRCDJAR-AWEZNQCLSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)CC[N@H+](C)C1CCN(C(=O)[C@@H]2CC[C@H](C)C2)CC1 ZINC001485763719 927915454 /nfs/dbraw/zinc/91/54/54/927915454.db2.gz DSOQLGZRJLWSSD-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC([N@H+](C)C[C@@H](F)CC)CC1 ZINC001485764242 927917080 /nfs/dbraw/zinc/91/70/80/927917080.db2.gz KSNXHBUVTWGFOS-AWEZNQCLSA-N 1 1 298.446 3.260 20 30 CGEDMO C=CCCC(=O)N[C@]12CCC[C@H]1[N@@H+](C[C@@H](C)CC)CC2 ZINC001486138225 927987060 /nfs/dbraw/zinc/98/70/60/927987060.db2.gz IHQXZPYNRLPMCM-UXLLHSPISA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C2=CCCC2)[C@H]1C ZINC001486172445 927993026 /nfs/dbraw/zinc/99/30/26/927993026.db2.gz ZZZNOWYXVKORJK-ZBFHGGJFSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)CSCCC)[C@@H]1C ZINC001486170129 927994244 /nfs/dbraw/zinc/99/42/44/927994244.db2.gz GYCYSJLFTXXUBO-GJZGRUSLSA-N 1 1 298.496 3.065 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1CCC[N@@H+](CCCF)[C@@H]1C ZINC001486172946 927994487 /nfs/dbraw/zinc/99/44/87/927994487.db2.gz AWZPBOYMHPDGIY-GDBMZVCRSA-N 1 1 296.430 3.084 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)Cc1cccs1)C(C)C ZINC001486361818 928009546 /nfs/dbraw/zinc/00/95/46/928009546.db2.gz UMTMKUPAACHBDX-UHFFFAOYSA-N 1 1 294.464 3.036 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCCC(F)(F)[C@@H](F)C2)cc1 ZINC001144568589 928198568 /nfs/dbraw/zinc/19/85/68/928198568.db2.gz ZCYMHLOBWDZYPC-AWEZNQCLSA-N 1 1 267.294 3.237 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCCC(F)(F)[C@@H](F)C2)cc1 ZINC001144568589 928198575 /nfs/dbraw/zinc/19/85/75/928198575.db2.gz ZCYMHLOBWDZYPC-AWEZNQCLSA-N 1 1 267.294 3.237 20 30 CGEDMO N#Cc1ccc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000157948113 928258707 /nfs/dbraw/zinc/25/87/07/928258707.db2.gz YQKHCXDLOLUBRW-QWHCGFSZSA-N 1 1 275.783 3.250 20 30 CGEDMO C#CC[N@H+](CCSc1cccc(OC)c1)C(C)C ZINC001198027435 928270742 /nfs/dbraw/zinc/27/07/42/928270742.db2.gz PPZRNMXPGHSAOW-UHFFFAOYSA-N 1 1 263.406 3.131 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)C1CC(C(C)(C)C)C1)C1CC1 ZINC001317560048 928275585 /nfs/dbraw/zinc/27/55/85/928275585.db2.gz DGSFLAMADUOOIV-UHFFFAOYSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)CCC)[C@H]1CC ZINC001489107351 928315115 /nfs/dbraw/zinc/31/51/15/928315115.db2.gz ZIZHPOJKYVODQW-OWCLPIDISA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C2(C)CC(=C)C2)[C@H]1CC ZINC001489133645 928318519 /nfs/dbraw/zinc/31/85/19/928318519.db2.gz UDVXBPVUOGTWJL-JKSUJKDBSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](C)CCCC ZINC001489321013 928327110 /nfs/dbraw/zinc/32/71/10/928327110.db2.gz XRUADVIOTOHADL-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@@H+](C/C=C/Cl)CC(C)(C)C1 ZINC001489343442 928330173 /nfs/dbraw/zinc/33/01/73/928330173.db2.gz GLFHFXXNXDVPIR-MRZGDXHCSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CC[N@@H+](CC)CCCNC(=O)C1(C)CCCCCC1 ZINC001490330611 928346148 /nfs/dbraw/zinc/34/61/48/928346148.db2.gz DOSLIWPBYJREKR-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO CC#CC[N@H+](CC)CCCNC(=O)[C@@H]1CCCC[C@H]1CC ZINC001490351861 928346191 /nfs/dbraw/zinc/34/61/91/928346191.db2.gz PMSMTQFBWSCAMU-IAGOWNOFSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)c1cc(C)oc1C)C1CC1 ZINC001490364050 928353794 /nfs/dbraw/zinc/35/37/94/928353794.db2.gz MPOGFXCKWZLMKG-UHFFFAOYSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CCC1(C(=O)N(C)C2CC[NH+](CCF)CC2)CCCC1 ZINC001490424561 928361803 /nfs/dbraw/zinc/36/18/03/928361803.db2.gz FAHJMMIBZWKANA-UHFFFAOYSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)C2=CCCCCC2)C1 ZINC001490537491 928368101 /nfs/dbraw/zinc/36/81/01/928368101.db2.gz ZCTJSPCEDXOOEC-DOTOQJQBSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2cscc2C)C1 ZINC001490531127 928368873 /nfs/dbraw/zinc/36/88/73/928368873.db2.gz WGTKDSGVEVSIIZ-UONOGXRCSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)CCC2(C)CC2)C1 ZINC001490567726 928370600 /nfs/dbraw/zinc/37/06/00/928370600.db2.gz BXMNSRBMWTVDMD-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C)C(C)(C)C)C1 ZINC001490766800 928386794 /nfs/dbraw/zinc/38/67/94/928386794.db2.gz PLICJIAVBMXEIF-CABCVRRESA-N 1 1 280.456 3.025 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)c1[nH]c(C)cc1C ZINC001492975411 937244514 /nfs/dbraw/zinc/24/45/14/937244514.db2.gz YCYVMRNFKVPYKT-HNNXBMFYSA-N 1 1 291.439 3.038 20 30 CGEDMO CCN(C(=O)C#CC(C)C)[C@@H]1CC[N@@H+](CCCC(C)C)C1 ZINC001318469872 928437988 /nfs/dbraw/zinc/43/79/88/928437988.db2.gz HJRKDLGQCWOIFP-QGZVFWFLSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N(C)CC[N@@H+](C)CC1CCCC1 ZINC001320042982 928487123 /nfs/dbraw/zinc/48/71/23/928487123.db2.gz PEFCMFHRHIRTSI-QGZVFWFLSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)CC2(C)CCCC2)C1 ZINC001493198961 928605389 /nfs/dbraw/zinc/60/53/89/928605389.db2.gz GRSFWPHJSHMOJU-CQSZACIVSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)CC2(C)CCCC2)C1 ZINC001493198961 928605418 /nfs/dbraw/zinc/60/54/18/928605418.db2.gz GRSFWPHJSHMOJU-CQSZACIVSA-N 1 1 298.858 3.147 20 30 CGEDMO C[C@@H]1CCCC(=[NH+]n2cc(Br)cn2)C1 ZINC000752746154 928828174 /nfs/dbraw/zinc/82/81/74/928828174.db2.gz GPFQZWRNVHUNIK-MRVPVSSYSA-N 1 1 256.147 3.060 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)C[C@H]2C=CCC2)C1 ZINC001491090914 928830467 /nfs/dbraw/zinc/83/04/67/928830467.db2.gz ZXMYKLFAEPGEEC-IRXDYDNUSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)C1CCCC1 ZINC001491210560 928845443 /nfs/dbraw/zinc/84/54/43/928845443.db2.gz RYIRILOUHJUKTL-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)C)C1 ZINC001491297572 928853789 /nfs/dbraw/zinc/85/37/89/928853789.db2.gz SJZJKFWPHJQGTO-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC(CC)CC)C1 ZINC001491298803 928854080 /nfs/dbraw/zinc/85/40/80/928854080.db2.gz XKTDSVKUFVITLS-GDBMZVCRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(CC)CC)C1 ZINC001491299751 928854318 /nfs/dbraw/zinc/85/43/18/928854318.db2.gz INSJFSOYAXCNIT-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@@H]1CCCN1C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001439848473 937322066 /nfs/dbraw/zinc/32/20/66/937322066.db2.gz SJYUYTVSTPBDQP-RHSMWYFYSA-N 1 1 296.430 3.156 20 30 CGEDMO C=CCC[C@@H]1CCCN1C(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001456718112 937434437 /nfs/dbraw/zinc/43/44/37/937434437.db2.gz GQFFALDHAURTCI-QKPAOTATSA-N 1 1 278.440 3.205 20 30 CGEDMO C#CC[N@H+](CC[C@@H]1COC(C)(C)O1)[C@H]1CCc2ccccc21 ZINC001459341064 937486171 /nfs/dbraw/zinc/48/61/71/937486171.db2.gz AGUQXSQRYJQVJG-AEFFLSMTSA-N 1 1 299.414 3.151 20 30 CGEDMO COCC[N@H+](Cc1ccc(C#N)cc1)CC1CC(C)(C)C1 ZINC001459424505 937488186 /nfs/dbraw/zinc/48/81/86/937488186.db2.gz QXVFYBZDYPAFSC-UHFFFAOYSA-N 1 1 286.419 3.443 20 30 CGEDMO C[C@H](c1ccco1)[N@@H+](C[C@@H](O)c1cccc(C#N)c1)C1CC1 ZINC001459722244 937497389 /nfs/dbraw/zinc/49/73/89/937497389.db2.gz YEIDZWRMXKKQGH-CXAGYDPISA-N 1 1 296.370 3.410 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)C[C@H]1CC2(CCC2)CO1 ZINC001459829979 937502736 /nfs/dbraw/zinc/50/27/36/937502736.db2.gz HNPYLJOMRMTNKV-MRXNPFEDSA-N 1 1 275.392 3.269 20 30 CGEDMO C=CCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CCC ZINC001459925887 937506465 /nfs/dbraw/zinc/50/64/65/937506465.db2.gz BETOLFWJIYWPSN-AWEZNQCLSA-N 1 1 282.428 3.284 20 30 CGEDMO C=C(CC)C[N@H+]1CCCC[C@H]1COC(=O)NC1CCCC1 ZINC001460195696 937520286 /nfs/dbraw/zinc/52/02/86/937520286.db2.gz INOPLVVUEXCMEI-INIZCTEOSA-N 1 1 294.439 3.476 20 30 CGEDMO CCCCOC(=O)C(C)(C)[NH2+]CCCCC(C)(C)C#N ZINC001460310301 937525888 /nfs/dbraw/zinc/52/58/88/937525888.db2.gz KTIMVUBVRSAFIS-UHFFFAOYSA-N 1 1 282.428 3.418 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](C[C@](C)(O)c2ccc(F)cc2)C1 ZINC001460359590 937528834 /nfs/dbraw/zinc/52/88/34/937528834.db2.gz HELROXNRAFBSOJ-PBHICJAKSA-N 1 1 277.383 3.321 20 30 CGEDMO C[N@@H+](Cc1ccc2cc[nH]c2c1)Cc1cc(C#N)ccn1 ZINC001460671347 937539798 /nfs/dbraw/zinc/53/97/98/937539798.db2.gz AUXDRTSSTDGKRN-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO CCCC1(CCC)CCC[N@H+]1CCOCCC#N ZINC001460719977 937541673 /nfs/dbraw/zinc/54/16/73/937541673.db2.gz GFQRYVMFHCCSPG-UHFFFAOYSA-N 1 1 252.402 3.351 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1C[C@@H](O)CCc1ccccc1 ZINC001460886772 937550658 /nfs/dbraw/zinc/55/06/58/937550658.db2.gz PQOUQZQUBUBKMF-MSOLQXFVSA-N 1 1 273.420 3.411 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1CCc1scnc1C ZINC001460889832 937551202 /nfs/dbraw/zinc/55/12/02/937551202.db2.gz LUXLAJCFJQLBGY-CYBMUJFWSA-N 1 1 250.411 3.425 20 30 CGEDMO N#Cc1ccc2[nH]cc(C[N@H+]3CC4CCC3CC4)c2c1 ZINC001140115274 931955998 /nfs/dbraw/zinc/95/59/98/931955998.db2.gz SQIOQOWRMYSNLM-UHFFFAOYSA-N 1 1 265.360 3.414 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1cc2c(cc1Cl)OCCO2 ZINC001460911435 937552422 /nfs/dbraw/zinc/55/24/22/937552422.db2.gz WYOFENONBGEQMU-LBPRGKRZSA-N 1 1 279.767 3.262 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1cc2c(cc1Cl)OCCO2 ZINC001460911435 937552424 /nfs/dbraw/zinc/55/24/24/937552424.db2.gz WYOFENONBGEQMU-LBPRGKRZSA-N 1 1 279.767 3.262 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1[C@@H](CCc1ccccc1)C(=O)OCC ZINC001460912030 937552700 /nfs/dbraw/zinc/55/27/00/937552700.db2.gz XYBBMUVZFVKQMK-SJORKVTESA-N 1 1 287.403 3.201 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H](CCc1ccccc1)C(=O)OCC ZINC001460912030 937552702 /nfs/dbraw/zinc/55/27/02/937552702.db2.gz XYBBMUVZFVKQMK-SJORKVTESA-N 1 1 287.403 3.201 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CC[C@H](Cc2nc(C)cs2)C1 ZINC001460825534 937547421 /nfs/dbraw/zinc/54/74/21/937547421.db2.gz BNWTUSCEDLQKQQ-ZIAGYGMSSA-N 1 1 262.422 3.118 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCO[C@@H](c2ccccc2)CC1 ZINC001460950752 937555397 /nfs/dbraw/zinc/55/53/97/937555397.db2.gz QVBXCFFPNLYZMZ-GOEBONIOSA-N 1 1 258.365 3.142 20 30 CGEDMO CCCn1cncc1C[NH2+][C@@H](CCC#N)c1ccccc1 ZINC001461366343 937578143 /nfs/dbraw/zinc/57/81/43/937578143.db2.gz XDHPXDGEKZLORP-KRWDZBQOSA-N 1 1 282.391 3.428 20 30 CGEDMO CC[C@@H](C#Cc1ccccc1)Oc1ccc2[nH+]c(N)[nH]c2c1 ZINC001230518086 932582526 /nfs/dbraw/zinc/58/25/26/932582526.db2.gz KORVZXMVUZCOFN-AWEZNQCLSA-N 1 1 291.354 3.354 20 30 CGEDMO CC[N@H+](CCC#N)Cc1cc(C)c(C2OCCO2)cc1C ZINC001462046017 937614455 /nfs/dbraw/zinc/61/44/55/937614455.db2.gz QJCPIBWDUNADPA-UHFFFAOYSA-N 1 1 288.391 3.084 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1cc(C)c(C2OCCO2)cc1C ZINC001462046017 937614458 /nfs/dbraw/zinc/61/44/58/937614458.db2.gz QJCPIBWDUNADPA-UHFFFAOYSA-N 1 1 288.391 3.084 20 30 CGEDMO C#Cc1ccc(C[N@@H+](CCC)[C@@H](CC)C(=O)OCC)cc1 ZINC001462087792 937616903 /nfs/dbraw/zinc/61/69/03/937616903.db2.gz ODTQGEQUIDYVQM-KRWDZBQOSA-N 1 1 287.403 3.222 20 30 CGEDMO C#Cc1ccc(C[N@H+](CCC)[C@@H](CC)C(=O)OCC)cc1 ZINC001462087792 937616905 /nfs/dbraw/zinc/61/69/05/937616905.db2.gz ODTQGEQUIDYVQM-KRWDZBQOSA-N 1 1 287.403 3.222 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)C(C)=C2CCC2)CC1 ZINC001331016106 932680358 /nfs/dbraw/zinc/68/03/58/932680358.db2.gz KJMYWVZOIPDAOF-UHFFFAOYSA-N 1 1 290.451 3.376 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)c(Cl)c1 ZINC001238088581 932693947 /nfs/dbraw/zinc/69/39/47/932693947.db2.gz INKFEMALNMZZLX-GXTWGEPZSA-N 1 1 288.778 3.013 20 30 CGEDMO C=CCC1(C(=O)N(C)C[C@H]2CC[N@H+]2CCC2CC2)CCC1 ZINC001316607253 932746447 /nfs/dbraw/zinc/74/64/47/932746447.db2.gz ZWAOABXFMYIZTR-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N(C)C[C@H]1CC[N@H+]1CC1CCCC1 ZINC001316605225 932746454 /nfs/dbraw/zinc/74/64/54/932746454.db2.gz IXYLHSNFZMJDDU-AEFFLSMTSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)CC(C)C ZINC001317177512 932783642 /nfs/dbraw/zinc/78/36/42/932783642.db2.gz UZOAQZFOJKQNKP-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)CC(=C)Cl)C1 ZINC001491951615 932798126 /nfs/dbraw/zinc/79/81/26/932798126.db2.gz KBTCTELLVVKUTN-CQSZACIVSA-N 1 1 298.858 3.264 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)CC(=C)Cl)C1 ZINC001491951615 932798129 /nfs/dbraw/zinc/79/81/29/932798129.db2.gz KBTCTELLVVKUTN-CQSZACIVSA-N 1 1 298.858 3.264 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[N@H+](C)[C@H](C)c1cccc(F)c1 ZINC001492373259 932814893 /nfs/dbraw/zinc/81/48/93/932814893.db2.gz FZVBRKSRTGEREQ-CYBMUJFWSA-N 1 1 292.398 3.147 20 30 CGEDMO CCCn1cncc1C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC001462363763 937635640 /nfs/dbraw/zinc/63/56/40/937635640.db2.gz KCNQWAXXFPKOCD-CQSZACIVSA-N 1 1 282.391 3.358 20 30 CGEDMO CCCn1cncc1C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC001462363763 937635642 /nfs/dbraw/zinc/63/56/42/937635642.db2.gz KCNQWAXXFPKOCD-CQSZACIVSA-N 1 1 282.391 3.358 20 30 CGEDMO CC1(C)C[N@@H+](Cc2cccc(C#N)n2)CCc2ccccc21 ZINC001462421173 937640251 /nfs/dbraw/zinc/64/02/51/937640251.db2.gz NMAJSKHCNHJCJO-UHFFFAOYSA-N 1 1 291.398 3.289 20 30 CGEDMO CC[C@@H](C)[C@@H](C)[N@@H+](Cc1cc(C#N)ccn1)C1CC1 ZINC001307463325 932956085 /nfs/dbraw/zinc/95/60/85/932956085.db2.gz RFNVJNJYYGIXHJ-CHWSQXEVSA-N 1 1 257.381 3.352 20 30 CGEDMO C#CC[N@@H+](CC)CCc1cc(Cl)cc(Cl)c1 ZINC001307513625 932962550 /nfs/dbraw/zinc/96/25/50/932962550.db2.gz MARSDUSQCULFCH-UHFFFAOYSA-N 1 1 256.176 3.491 20 30 CGEDMO C=CCCCC[NH2+]C1(C(=O)OC)CCCCCC1 ZINC001307653517 932981662 /nfs/dbraw/zinc/98/16/62/932981662.db2.gz GSAJHEGWOMVORR-UHFFFAOYSA-N 1 1 253.386 3.198 20 30 CGEDMO C=CC[C@H]1[N@@H+](C[C@@H](C)CN2CCOCC2)CCCC1(C)C ZINC001307730188 932992257 /nfs/dbraw/zinc/99/22/57/932992257.db2.gz UVRQECYWXGITQC-DLBZAZTESA-N 1 1 294.483 3.021 20 30 CGEDMO C#CCOCC[N@H+]1CCc2ccccc2[C@H]1c1ccccc1 ZINC001307800216 933002670 /nfs/dbraw/zinc/00/26/70/933002670.db2.gz TXLGWLQLQMMBKO-HXUWFJFHSA-N 1 1 291.394 3.284 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCNC(=O)C1CC(C(C)(C)C)C1 ZINC001317472943 933003982 /nfs/dbraw/zinc/00/39/82/933003982.db2.gz MGZVKVMURRKUOV-UHFFFAOYSA-N 1 1 280.456 3.073 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](CCc2ccc(F)c(F)c2)C1 ZINC001307873574 933011483 /nfs/dbraw/zinc/01/14/83/933011483.db2.gz WGPLDAAPGIZDCK-AWEZNQCLSA-N 1 1 263.331 3.243 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](CCN2C[C@H](C)C[C@@H](C)C2)C1 ZINC001307914534 933018773 /nfs/dbraw/zinc/01/87/73/933018773.db2.gz GRMIWUGGIAKMDX-BRWVUGGUSA-N 1 1 264.457 3.252 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CCN2C[C@H](C)C[C@@H](C)C2)C1 ZINC001307914534 933018779 /nfs/dbraw/zinc/01/87/79/933018779.db2.gz GRMIWUGGIAKMDX-BRWVUGGUSA-N 1 1 264.457 3.252 20 30 CGEDMO C=CCOCC[N@H+]1CCc2ccccc2C(C)(C)C1 ZINC001307924376 933022947 /nfs/dbraw/zinc/02/29/47/933022947.db2.gz HJOWKCBPLVSMLR-UHFFFAOYSA-N 1 1 259.393 3.025 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2OC)C1 ZINC001308067700 933043329 /nfs/dbraw/zinc/04/33/29/933043329.db2.gz JAGFLWPYZQTYLP-GFCCVEGCSA-N 1 1 263.768 3.194 20 30 CGEDMO Cc1ccc(CN2CC[N@@H+](C3CCCC3)[C@H](C)C2)cc1C#N ZINC001308080417 933044896 /nfs/dbraw/zinc/04/48/96/933044896.db2.gz XLYNRDXMIVCGON-MRXNPFEDSA-N 1 1 297.446 3.315 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1C[C@@H](O)Cc1ccc(F)cc1 ZINC001308137613 933055118 /nfs/dbraw/zinc/05/51/18/933055118.db2.gz RHNJICYLKDTUHY-IRXDYDNUSA-N 1 1 277.383 3.160 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC001308158866 933061662 /nfs/dbraw/zinc/06/16/62/933061662.db2.gz FEWAZVOOLXGPCV-MSOLQXFVSA-N 1 1 284.403 3.134 20 30 CGEDMO Cc1csc2nc(C)c(C[NH+]3CCC(C)(C#N)CC3)n12 ZINC001308638647 933148036 /nfs/dbraw/zinc/14/80/36/933148036.db2.gz IQYRTPGGZJHCRC-UHFFFAOYSA-N 1 1 288.420 3.138 20 30 CGEDMO C=CCC[C@@H]([NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)C(=O)OCC ZINC001308769998 933174107 /nfs/dbraw/zinc/17/41/07/933174107.db2.gz PGKPGJKZHVSNRU-CBBWQLFWSA-N 1 1 265.397 3.053 20 30 CGEDMO CC[N@@H+](CCNC(=O)C#CC(C)(C)C)C[C@@H](C)CC(C)C ZINC001317480137 933248695 /nfs/dbraw/zinc/24/86/95/933248695.db2.gz PMCFVJRPQSMHDD-INIZCTEOSA-N 1 1 294.483 3.156 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)[C@@H]1CCCC[C@H]1C1CC1 ZINC001317481258 933250905 /nfs/dbraw/zinc/25/09/05/933250905.db2.gz FDXPYQOEIFLGOF-DLBZAZTESA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC(C)(C)CCNC(=O)N[C@H](C)C[N@H+](C)CCCC ZINC001312797524 933394235 /nfs/dbraw/zinc/39/42/35/933394235.db2.gz MZBBFNPJSCSIPT-CQSZACIVSA-N 1 1 283.460 3.008 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)C3(CC)CCC3)C2)C1 ZINC001313441376 933450755 /nfs/dbraw/zinc/45/07/55/933450755.db2.gz INHHQERYYURYEA-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCC(C)C)C1 ZINC001317100720 933471380 /nfs/dbraw/zinc/47/13/80/933471380.db2.gz KYVOWUTZQXHYKB-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)CC(C)C)C1 ZINC001317134066 933473789 /nfs/dbraw/zinc/47/37/89/933473789.db2.gz SNMIQQYZOGFDJC-HZPDHXFCSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@H+](CC)CCCNC(=O)[C@H]1CCCC[C@@H]1CC ZINC001316904226 933491679 /nfs/dbraw/zinc/49/16/79/933491679.db2.gz KAVBBKFWKFFLMO-HOTGVXAUSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)[C@H](C)c1cccs1 ZINC001316900498 933492025 /nfs/dbraw/zinc/49/20/25/933492025.db2.gz GWZPWSJUIDBZTN-CQSZACIVSA-N 1 1 294.464 3.256 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)[C@H]1CCCC[C@@H]1C)C1CC1 ZINC001316921645 933494442 /nfs/dbraw/zinc/49/44/42/933494442.db2.gz URLVTBTVPVGZBR-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)CC2(C)CCCCC2)C1 ZINC001316943159 933498834 /nfs/dbraw/zinc/49/88/34/933498834.db2.gz FNILWQVKAJLEIM-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H](C[N@H+](C)C[C@H](F)CC)C1 ZINC001317037474 933519526 /nfs/dbraw/zinc/51/95/26/933519526.db2.gz SYCGRJAIXHJZOA-JKSUJKDBSA-N 1 1 298.446 3.261 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC2(C)C)C1 ZINC001317039512 933519986 /nfs/dbraw/zinc/51/99/86/933519986.db2.gz RMUWZBKDAFSICU-JKSUJKDBSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1(C)CC1 ZINC001317048348 933521351 /nfs/dbraw/zinc/52/13/51/933521351.db2.gz SEAILEONZXKOMF-HRCADAONSA-N 1 1 290.451 3.207 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)CCCC[C@@H](C)CC)C1 ZINC001317133310 933537381 /nfs/dbraw/zinc/53/73/81/933537381.db2.gz YLRIZGKSGMTFET-DLBZAZTESA-N 1 1 292.467 3.054 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@](C)(CC)CCC)C1 ZINC001317143210 933540320 /nfs/dbraw/zinc/54/03/20/933540320.db2.gz LHJPXGUHLHQSDZ-WBVHZDCISA-N 1 1 280.456 3.217 20 30 CGEDMO CC#CCCCC(=O)NC[C@H]1CCCC[N@H+]1CCC(C)C ZINC001317174693 933548755 /nfs/dbraw/zinc/54/87/55/933548755.db2.gz WVMPSLWCEFSKFB-QGZVFWFLSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)/C=C(\C)CC)C1 ZINC001317373496 933578941 /nfs/dbraw/zinc/57/89/41/933578941.db2.gz ONGYMYFMARAIEH-BRADTZPFSA-N 1 1 284.831 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)/C=C(\C)CC)C1 ZINC001317373496 933578947 /nfs/dbraw/zinc/57/89/47/933578947.db2.gz ONGYMYFMARAIEH-BRADTZPFSA-N 1 1 284.831 3.018 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)CC2CCCCC2)C1 ZINC001317377067 933579686 /nfs/dbraw/zinc/57/96/86/933579686.db2.gz UKTJYVYYNMFVCE-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@]2(C)C=CCC2)C1 ZINC001317377740 933581818 /nfs/dbraw/zinc/58/18/18/933581818.db2.gz DXVGCNWSKOIQEI-FUHWJXTLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)C[C@@H](CC)C(C)C)C1 ZINC001317380193 933581956 /nfs/dbraw/zinc/58/19/56/933581956.db2.gz AKXTVPHPCNCWPN-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@H]([N@H+](C)C[C@H](C)CC)C2)C1 ZINC001317384448 933583124 /nfs/dbraw/zinc/58/31/24/933583124.db2.gz WPRYZDASUSWXKL-ZBFHGGJFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)[C@@]1(C)CCC[C@@H]1CC ZINC001317452121 933593295 /nfs/dbraw/zinc/59/32/95/933593295.db2.gz VUALNGWEYBVCKV-RDJZCZTQSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCNC(=O)c1ccc(Cl)c(C)c1 ZINC001317459668 933596432 /nfs/dbraw/zinc/59/64/32/933596432.db2.gz OJKBEDYMIJYNEL-UHFFFAOYSA-N 1 1 294.826 3.276 20 30 CGEDMO C=CCC1(C(=O)NCC[N@H+](C)CCC(=C)C)CCCC1 ZINC001317473157 933600417 /nfs/dbraw/zinc/60/04/17/933600417.db2.gz QLDMBBIXLKXVTM-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C#CCCCC(=O)NC[C@@H]1CCC[N@@H+]1CCCC(C)(C)C ZINC001317500043 933604459 /nfs/dbraw/zinc/60/44/59/933604459.db2.gz UPXKGNXSCYKEPE-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)c1cccs1 ZINC001317511236 933606354 /nfs/dbraw/zinc/60/63/54/933606354.db2.gz XBWKZKTVAOCQOH-ZIAGYGMSSA-N 1 1 292.448 3.008 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)c2cccs2)C1 ZINC001317517095 933609438 /nfs/dbraw/zinc/60/94/38/933609438.db2.gz JVASYUXKVYJTIS-KGLIPLIRSA-N 1 1 292.448 3.155 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](CNC(=O)CC2CCCC2)C1 ZINC001317517163 933610073 /nfs/dbraw/zinc/61/00/73/933610073.db2.gz KMCBFAAJRHDKDY-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO CC#CCCCC(=O)NC[C@H]1CC[N@@H+](CCCC(C)C)C1 ZINC001317537221 933612416 /nfs/dbraw/zinc/61/24/16/933612416.db2.gz OGNFHLFZLXXDCU-QGZVFWFLSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)[C@@H]1CCCC[C@@H]1C1CC1 ZINC001317542667 933615850 /nfs/dbraw/zinc/61/58/50/933615850.db2.gz HFWPXVMXNBRJFN-IAGOWNOFSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)[C@@H]1CCC(C)(C)C1)C(C)C ZINC001317699444 933633656 /nfs/dbraw/zinc/63/36/56/933633656.db2.gz IDYNLUCLXLWWGZ-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)C[C@@H](C)CC)C1 ZINC001317782736 933649739 /nfs/dbraw/zinc/64/97/39/933649739.db2.gz QQYAKWDFPBFOMQ-JKSUJKDBSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC(C)(C)C(=O)NCC[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001317802736 933651192 /nfs/dbraw/zinc/65/11/92/933651192.db2.gz LHQDMBLKBUKDOY-INIZCTEOSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)C[C@H](C)C2CC2)C1 ZINC001317811513 933654862 /nfs/dbraw/zinc/65/48/62/933654862.db2.gz NNJKLKIUIBABQB-JKSUJKDBSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)C[C@H](C)CC(C)C)C1 ZINC001317856575 933658697 /nfs/dbraw/zinc/65/86/97/933658697.db2.gz HMVAZPZTQVQWLA-IAGOWNOFSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC(C[N@@H+](C)CC2CC2)CC1 ZINC001317880074 933660608 /nfs/dbraw/zinc/66/06/08/933660608.db2.gz PYLPEEKPWYDGTM-UHFFFAOYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)CC(C)(C)CC)C1 ZINC001317934506 933667890 /nfs/dbraw/zinc/66/78/90/933667890.db2.gz ZVKQFEPHWRGFDL-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[NH+]1CC(NC(=O)C2(CC(C)C)CCCC2)C1 ZINC001318071836 933683418 /nfs/dbraw/zinc/68/34/18/933683418.db2.gz RVEUALBYBJCAGJ-UHFFFAOYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)CC2CCCC2)C1 ZINC001318380607 933716532 /nfs/dbraw/zinc/71/65/32/933716532.db2.gz MGDQHNUWCOAUML-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C=C)c2ccccc2)C1 ZINC001318446031 933727338 /nfs/dbraw/zinc/72/73/38/933727338.db2.gz SGQYIAKOEKXTFT-ZWKOTPCHSA-N 1 1 298.430 3.065 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C=C)c2ccccc2)C1 ZINC001318446029 933727347 /nfs/dbraw/zinc/72/73/47/933727347.db2.gz SGQYIAKOEKXTFT-ROUUACIJSA-N 1 1 298.430 3.065 20 30 CGEDMO CCN(C(=O)C#CC(C)C)[C@H]1CC[N@@H+](CCCC(C)C)C1 ZINC001318469871 933732815 /nfs/dbraw/zinc/73/28/15/933732815.db2.gz HJRKDLGQCWOIFP-KRWDZBQOSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)C1CC(C(C)(C)C)C1 ZINC001467728435 937721697 /nfs/dbraw/zinc/72/16/97/937721697.db2.gz JHZXQGAJUPJDKP-UHFFFAOYSA-N 1 1 280.456 3.025 20 30 CGEDMO C#CC[N@H+](Cc1cccc(OC(C)C)c1)CC1CC1 ZINC001319552248 933892376 /nfs/dbraw/zinc/89/23/76/933892376.db2.gz NFBOKDXLKIQTDO-UHFFFAOYSA-N 1 1 257.377 3.319 20 30 CGEDMO C=CC[N@H+](C)CCC1CCN(C(=O)/C(C)=C\CC)CC1 ZINC001319875491 933947812 /nfs/dbraw/zinc/94/78/12/933947812.db2.gz VIJQEONMKRYGDK-CHHVJCJISA-N 1 1 278.440 3.089 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OCC(=O)OCC)cc1)C(C)C ZINC001319931981 933960437 /nfs/dbraw/zinc/96/04/37/933960437.db2.gz FSJJWWXZWOJOEJ-UHFFFAOYSA-N 1 1 291.391 3.025 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2csc(CCCC)n2)C1 ZINC001320039470 933985451 /nfs/dbraw/zinc/98/54/51/933985451.db2.gz LUSKXYLVYPSMOF-AWEZNQCLSA-N 1 1 280.437 3.263 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2csc(CCCC)n2)C1 ZINC001320039470 933985459 /nfs/dbraw/zinc/98/54/59/933985459.db2.gz LUSKXYLVYPSMOF-AWEZNQCLSA-N 1 1 280.437 3.263 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)[C@@H](C)C1CCCC1 ZINC001320068108 933993010 /nfs/dbraw/zinc/99/30/10/933993010.db2.gz GIMIUHZZHHPIME-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC001320086646 933995119 /nfs/dbraw/zinc/99/51/19/933995119.db2.gz NSJKSAYRQYYUBE-MRXNPFEDSA-N 1 1 287.403 3.177 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2ccsc2Cl)C1 ZINC001320716457 934092564 /nfs/dbraw/zinc/09/25/64/934092564.db2.gz GOZOEDVVVFXDPA-LLVKDONJSA-N 1 1 257.786 3.178 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccsc2Cl)C1 ZINC001320716457 934092573 /nfs/dbraw/zinc/09/25/73/934092573.db2.gz GOZOEDVVVFXDPA-LLVKDONJSA-N 1 1 257.786 3.178 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cc(OC)ccc2Cl)C1 ZINC001320836043 934110962 /nfs/dbraw/zinc/11/09/62/934110962.db2.gz GUEMHUPJJNGEIN-AWEZNQCLSA-N 1 1 281.783 3.126 20 30 CGEDMO C=CC[C@H]1CCCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC001469921182 937745584 /nfs/dbraw/zinc/74/55/84/937745584.db2.gz SAYSSIOOEKJZQU-INIZCTEOSA-N 1 1 280.456 3.313 20 30 CGEDMO C#CC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)CC1CC1 ZINC001321635902 934199511 /nfs/dbraw/zinc/19/95/11/934199511.db2.gz KWVNVGMHHJMFRD-UHFFFAOYSA-N 1 1 278.739 3.093 20 30 CGEDMO C=CC[N@H+](C)C[C@H](C)NC(=O)C[C@@H](C)CC(C)(C)C ZINC001322248132 934263944 /nfs/dbraw/zinc/26/39/44/934263944.db2.gz IYZXTXDJTXWVLF-KGLIPLIRSA-N 1 1 268.445 3.071 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)CCc1cccs1 ZINC001322295175 934272669 /nfs/dbraw/zinc/27/26/69/934272669.db2.gz ZUQDGUSKTTZNKO-CQSZACIVSA-N 1 1 294.464 3.083 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccoc1C(C)C ZINC001322307229 934275867 /nfs/dbraw/zinc/27/58/67/934275867.db2.gz PKQQQORWBHXSNR-AWEZNQCLSA-N 1 1 292.423 3.419 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OC(C)C)c(OC)c1)CC1CC1 ZINC001323330268 934385981 /nfs/dbraw/zinc/38/59/81/934385981.db2.gz GSBZPIDCLGCIKZ-UHFFFAOYSA-N 1 1 287.403 3.328 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)/C(C)=C/CC)C2)C1 ZINC001323798763 934428208 /nfs/dbraw/zinc/42/82/08/934428208.db2.gz CXHRBTFKNIACBL-ULUBDBHXSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C)CCCC)C2)C1 ZINC001323846236 934431760 /nfs/dbraw/zinc/43/17/60/934431760.db2.gz HYDPRYDPFPWMFN-AEFFLSMTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc(SC)s2)C1 ZINC001324633868 934536091 /nfs/dbraw/zinc/53/60/91/934536091.db2.gz NDXPUYYVVGELSX-LLVKDONJSA-N 1 1 269.435 3.247 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)CC2CCCCCC2)C1 ZINC001324655298 934540814 /nfs/dbraw/zinc/54/08/14/934540814.db2.gz AMMQLNDANYTJCH-KRWDZBQOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H](CCC)C(C)C)C1 ZINC001324655496 934541006 /nfs/dbraw/zinc/54/10/06/934541006.db2.gz FJMKCFKBKHTRFR-RDJZCZTQSA-N 1 1 280.456 3.215 20 30 CGEDMO CCC[C@@]1(C)CCC[N@@H+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC001473192743 937796780 /nfs/dbraw/zinc/79/67/80/937796780.db2.gz OFJLPXYRTDIGHI-ROUUACIJSA-N 1 1 286.419 3.494 20 30 CGEDMO C=CCCCC[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC001473336277 937801885 /nfs/dbraw/zinc/80/18/85/937801885.db2.gz UBOOYBLRICGRFU-QGZVFWFLSA-N 1 1 259.393 3.286 20 30 CGEDMO C#CCOCC[N@H+](C)C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001473350069 937803077 /nfs/dbraw/zinc/80/30/77/937803077.db2.gz BPOWWNIOXQUQCH-SJLPKXTDSA-N 1 1 271.404 3.152 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001473397456 937804888 /nfs/dbraw/zinc/80/48/88/937804888.db2.gz WWZMTGBMOIMILN-GASCZTMLSA-N 1 1 294.439 3.426 20 30 CGEDMO C=CC[C@@H](C(=O)OC)[N@H+]1CC[C@@H](C)C2(CCCCC2)C1 ZINC001473405812 937805715 /nfs/dbraw/zinc/80/57/15/937805715.db2.gz LSFXCEJYXYIEGO-CABCVRRESA-N 1 1 279.424 3.396 20 30 CGEDMO C#C[C@H]1CCC[N@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC001473587855 937812751 /nfs/dbraw/zinc/81/27/51/937812751.db2.gz QQHXFBLGEJJNSG-ZDUSSCGKSA-N 1 1 297.320 3.429 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(C)C)C2 ZINC001325349694 934907051 /nfs/dbraw/zinc/90/70/51/934907051.db2.gz WADKAHPFPUINFE-JYJNAYRXSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CC[C@@H](C)[N@@H+](C)CCCN(C)C(=O)OC(C)(C)C ZINC001473553854 937810957 /nfs/dbraw/zinc/81/09/57/937810957.db2.gz RCRCPKXHFUGHIA-CYBMUJFWSA-N 1 1 270.417 3.140 20 30 CGEDMO C=CCCC[N@H+]1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC001473561373 937811205 /nfs/dbraw/zinc/81/12/05/937811205.db2.gz MFGZRVFQHKOLKO-KGLIPLIRSA-N 1 1 267.413 3.252 20 30 CGEDMO C=C(Cl)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C=C(C)C)C2 ZINC001325612994 934920251 /nfs/dbraw/zinc/92/02/51/934920251.db2.gz OQRLVGLBOBXQDS-QDMKHBRRSA-N 1 1 296.842 3.064 20 30 CGEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)/C=C/C(C)(C)C)C2 ZINC001325614919 934920272 /nfs/dbraw/zinc/92/02/72/934920272.db2.gz XQOQCYWUCKHOJQ-FOMCXPQXSA-N 1 1 290.451 3.134 20 30 CGEDMO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC1(C)CC1)C2 ZINC001325633211 934921064 /nfs/dbraw/zinc/92/10/64/934921064.db2.gz VKVAIXMDUUMNSO-MUJYYYPQSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC(CC)CC ZINC001325919269 934939461 /nfs/dbraw/zinc/93/94/61/934939461.db2.gz HRGHXWPKQSZFDD-HOTGVXAUSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC(CC=C)c1nc([C@H]([NH3+])c2ccccc2)no1 ZINC001326173762 934956640 /nfs/dbraw/zinc/95/66/40/934956640.db2.gz UCOMGVQFDHBOMK-CQSZACIVSA-N 1 1 269.348 3.354 20 30 CGEDMO CCOc1ccc(C[N@@H+](C)[C@@H]2CC[C@@H](C#N)C2)cc1OC ZINC001326241192 934962235 /nfs/dbraw/zinc/96/22/35/934962235.db2.gz WGBOAYJGQVOAMR-UKRRQHHQSA-N 1 1 288.391 3.218 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](CCOCc2ccccc2)C1 ZINC001473626975 937815090 /nfs/dbraw/zinc/81/50/90/937815090.db2.gz BFTPMOZBXDUZAW-INIZCTEOSA-N 1 1 259.393 3.491 20 30 CGEDMO C=C[C@H](COC)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC001326283575 934966699 /nfs/dbraw/zinc/96/66/99/934966699.db2.gz PIWIIBBXBNZGHD-NXEZZACHSA-N 1 1 289.297 3.263 20 30 CGEDMO CCCCCCCC[N@H+]1CCC[C@@]1(COC)C(=O)OC ZINC001473643488 937815571 /nfs/dbraw/zinc/81/55/71/937815571.db2.gz SOQCDGJLAGJTPN-MRXNPFEDSA-N 1 1 285.428 3.001 20 30 CGEDMO N#CC1(c2ccccc2)CC([NH2+]CC2(C#N)CCCC2)C1 ZINC001326519294 934987082 /nfs/dbraw/zinc/98/70/82/934987082.db2.gz ODHNDHNZNTYZQC-UHFFFAOYSA-N 1 1 279.387 3.284 20 30 CGEDMO C/C=C\C[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC001473688440 937817367 /nfs/dbraw/zinc/81/73/67/937817367.db2.gz YUDMIPXNXSTDJU-GWQWAINWSA-N 1 1 297.402 3.175 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C(C)(C)C ZINC001326707786 935000234 /nfs/dbraw/zinc/00/02/34/935000234.db2.gz LZXJUMBBEHIZIS-UHFFFAOYSA-N 1 1 261.325 3.087 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)C(CC)CC)CC1 ZINC001327130286 935033119 /nfs/dbraw/zinc/03/31/19/935033119.db2.gz KZKFCPPQQWCOQK-WBVHZDCISA-N 1 1 292.467 3.053 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCc2cc(C(C)(C)C)ccc2C1 ZINC001327144267 935037143 /nfs/dbraw/zinc/03/71/43/935037143.db2.gz BOWZYFRZHOJDIK-CQSZACIVSA-N 1 1 286.419 3.271 20 30 CGEDMO C=CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC=CCCC1 ZINC001327225098 935045391 /nfs/dbraw/zinc/04/53/91/935045391.db2.gz LRXIKEZNNYTCAJ-MRXNPFEDSA-N 1 1 278.440 3.089 20 30 CGEDMO N#CCCC[C@H]([NH3+])c1nc([C@@H]2CCCc3ccccc32)no1 ZINC001328026190 935110605 /nfs/dbraw/zinc/11/06/05/935110605.db2.gz XLRSXDJZZQXAGW-CABCVRRESA-N 1 1 296.374 3.231 20 30 CGEDMO C#CCCCCC(=O)N[C@@H]1CC[N@H+](CC(C)C)CC1(C)C ZINC001328079730 935115591 /nfs/dbraw/zinc/11/55/91/935115591.db2.gz BYEJMHXHBXJKIX-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](CCCF)CC1(C)C ZINC001328101964 935117584 /nfs/dbraw/zinc/11/75/84/935117584.db2.gz JEQFWSFEMUEFIT-AWEZNQCLSA-N 1 1 298.446 3.165 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC001328200769 935123147 /nfs/dbraw/zinc/12/31/47/935123147.db2.gz NLJRYXBMIWKMMI-KRWDZBQOSA-N 1 1 282.387 3.019 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cc(COC)cs2)C1 ZINC001328207362 935124721 /nfs/dbraw/zinc/12/47/21/935124721.db2.gz AUTMJXIVYTVKHS-ZDUSSCGKSA-N 1 1 263.406 3.130 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@@H]2C[N@@H+](C)C/C=C\Cl)C1 ZINC001328763952 935167844 /nfs/dbraw/zinc/16/78/44/935167844.db2.gz HEPNHJDKBKTQJL-BRLPQQTGSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@@](C)(CC)CCC ZINC001329586527 935231134 /nfs/dbraw/zinc/23/11/34/935231134.db2.gz CIHRPNBEKHZOGI-ZBFHGGJFSA-N 1 1 268.445 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](F)C(C)C ZINC001329938226 935256106 /nfs/dbraw/zinc/25/61/06/935256106.db2.gz PKJXWYGHOGOEOE-HZPDHXFCSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CCO[C@@H]1CCN(c2cc(C(F)(F)F)cc(C)[nH+]2)C1 ZINC001330651187 935307475 /nfs/dbraw/zinc/30/74/75/935307475.db2.gz CWIHTVAIQKLLBM-GFCCVEGCSA-N 1 1 286.297 3.190 20 30 CGEDMO C=CCO[C@H]1CCN(c2cc(C(C)(C)C)cc[nH+]2)C1 ZINC001330815712 935325429 /nfs/dbraw/zinc/32/54/29/935325429.db2.gz BCZJJWNAHYZQSO-AWEZNQCLSA-N 1 1 260.381 3.160 20 30 CGEDMO C=CCCCC(=O)N1CCC([N@@H+](C)CCC(=C)C)CC1 ZINC001331038825 935344310 /nfs/dbraw/zinc/34/43/10/935344310.db2.gz KRWLXEMAMMIZSH-UHFFFAOYSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@H]2CC)CC1 ZINC001331038936 935344763 /nfs/dbraw/zinc/34/47/63/935344763.db2.gz NCBHHBRWIWYZAZ-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)C1CCN(C(=O)C(C)(C)CC)CC1 ZINC001331038827 935345288 /nfs/dbraw/zinc/34/52/88/935345288.db2.gz KTCRCZDCNNCLEL-UHFFFAOYSA-N 1 1 280.456 3.312 20 30 CGEDMO N#CC1(C[NH2+]Cc2cc3ccnc(Cl)c3s2)CC1 ZINC001331566915 935394448 /nfs/dbraw/zinc/39/44/48/935394448.db2.gz DGJABEUBRFZIQE-UHFFFAOYSA-N 1 1 277.780 3.343 20 30 CGEDMO C=CCn1cnnc1SCc1c(C)cc(C)[nH+]c1C ZINC001331881563 935417279 /nfs/dbraw/zinc/41/72/79/935417279.db2.gz NZXUUVXLELMPKC-UHFFFAOYSA-N 1 1 274.393 3.077 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCOCC2(CCC2)C1 ZINC001332872293 935494093 /nfs/dbraw/zinc/49/40/93/935494093.db2.gz UHFFNIMKFLZIKR-UHFFFAOYSA-N 1 1 284.403 3.178 20 30 CGEDMO CC(C)(C)OC(=O)Nc1ccc(C[NH2+]CCC#N)cc1 ZINC001333001116 935504425 /nfs/dbraw/zinc/50/44/25/935504425.db2.gz RBWOEHVEVJBMCE-UHFFFAOYSA-N 1 1 275.352 3.037 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCSC[C@H]2C2CC2)s1 ZINC001333446211 935535432 /nfs/dbraw/zinc/53/54/32/935535432.db2.gz YBVVHSVDOVVJMX-AWEZNQCLSA-N 1 1 278.446 3.337 20 30 CGEDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CCCCC1(C#N)CCC1 ZINC001333446934 935535836 /nfs/dbraw/zinc/53/58/36/935535836.db2.gz UDOFQNLAPIWCRE-PMPSAXMXSA-N 1 1 278.440 3.332 20 30 CGEDMO CC(C)[C@@]1(CO)CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC001333908960 936075001 /nfs/dbraw/zinc/07/50/01/936075001.db2.gz RZSNEUDOSIGOIU-IBGZPJMESA-N 1 1 298.430 3.082 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](CC[C@@H]2CCCC2(F)F)C1 ZINC001336775975 936217170 /nfs/dbraw/zinc/21/71/70/936217170.db2.gz PIQWDCKRGZBRSS-STQMWFEESA-N 1 1 259.340 3.089 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@@H]1CN(C)Cc1cc(C#N)cs1 ZINC001473837983 937824105 /nfs/dbraw/zinc/82/41/05/937824105.db2.gz WAOOCWWTPQVHMW-OAHLLOKOSA-N 1 1 291.464 3.314 20 30 CGEDMO C#CCCCCCC[N@@H+]1C[C@H]2CSC[C@@]2(C)C1 ZINC001473861960 937825432 /nfs/dbraw/zinc/82/54/32/937825432.db2.gz SUMALQQBNTZNSO-LSDHHAIUSA-N 1 1 251.439 3.255 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CC[C@@]21CNC(=O)OC(C)(C)C ZINC001473864707 937825461 /nfs/dbraw/zinc/82/54/61/937825461.db2.gz CAXAXLBAIMWEEN-WMLDXEAASA-N 1 1 294.439 3.332 20 30 CGEDMO C=CCCC[N@H+](CC)C[C@H]1COC2(CCCCC2)O1 ZINC001473861632 937825465 /nfs/dbraw/zinc/82/54/65/937825465.db2.gz FJTWLHAAEXPDLR-HNNXBMFYSA-N 1 1 267.413 3.350 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CCCN(c2ccccc2OC)CC1 ZINC001473878645 937826521 /nfs/dbraw/zinc/82/65/21/937826521.db2.gz VGKAUDLBPULZRZ-MRXNPFEDSA-N 1 1 286.419 3.009 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[NH2+][C@@H]1C[C@]1(C)OCC ZINC001474215274 937844277 /nfs/dbraw/zinc/84/42/77/937844277.db2.gz SABJJEVRJJJRRA-CVEARBPZSA-N 1 1 293.794 3.009 20 30 CGEDMO C#CC[N@@H+](Cc1nc2ccc(F)cc2s1)CC1CC1 ZINC001474355888 937854043 /nfs/dbraw/zinc/85/40/43/937854043.db2.gz QBBBSSNOPQJGKE-UHFFFAOYSA-N 1 1 274.364 3.281 20 30 CGEDMO C#CC[N@H+](Cc1nc2ccc(F)cc2s1)CC1CC1 ZINC001474355888 937854044 /nfs/dbraw/zinc/85/40/44/937854044.db2.gz QBBBSSNOPQJGKE-UHFFFAOYSA-N 1 1 274.364 3.281 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(Br)c(C)s1 ZINC001474482168 937862238 /nfs/dbraw/zinc/86/22/38/937862238.db2.gz RPORDRUNVMDWNP-MRVPVSSYSA-N 1 1 272.211 3.273 20 30 CGEDMO C=CCC[C@H]([NH2+]C1C[C@@H](C)C[C@H](C)C1)C(=O)OCC ZINC001474528612 937864717 /nfs/dbraw/zinc/86/47/17/937864717.db2.gz RPSYOASFOIPIBO-YDHLFZDLSA-N 1 1 267.413 3.299 20 30 CGEDMO CCCCCCCCCNC(=O)N(CC)[C@H]1CC[N@@H+](C)C1 ZINC001477451340 937895622 /nfs/dbraw/zinc/89/56/22/937895622.db2.gz YFBKQFHYYXZTTB-INIZCTEOSA-N 1 1 297.487 3.473 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N(C)C[C@H]1CC[N@H+]1CCC(=C)C ZINC001479235447 937917718 /nfs/dbraw/zinc/91/77/18/937917718.db2.gz IURKZSSJTFUVOO-JKSUJKDBSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@H](CC)C(C)C ZINC001479261270 937918122 /nfs/dbraw/zinc/91/81/22/937918122.db2.gz RAJPZKLTCDTHNW-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@H](CC)C(C)C ZINC001479261332 937918375 /nfs/dbraw/zinc/91/83/75/937918375.db2.gz RQHCEOXOWZJAIL-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(CC)CCCCC1 ZINC001479270054 937918995 /nfs/dbraw/zinc/91/89/95/937918995.db2.gz KXLXSHIZANQERE-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C#Cc1ccc(C(=O)NCCC[N@H+](C)[C@H](C)CCC=C)cc1 ZINC001479788410 937925671 /nfs/dbraw/zinc/92/56/71/937925671.db2.gz QXUPNBBNYHFSHT-MRXNPFEDSA-N 1 1 298.430 3.074 20 30 CGEDMO C=CCCC[N@@H+](C)CCCNC(=O)c1ccc(C)cc1F ZINC001479798555 937925938 /nfs/dbraw/zinc/92/59/38/937925938.db2.gz ZZWQZHOHGXFEMN-UHFFFAOYSA-N 1 1 292.398 3.152 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)C/C=C(\C)C=C)C1 ZINC001480082159 937931721 /nfs/dbraw/zinc/93/17/21/937931721.db2.gz NTBLIGQWNOVWDO-BRVCPTFNSA-N 1 1 290.451 3.255 20 30 CGEDMO C=CCC1(C(=O)N2CCC[C@@H](C[N@H+](C)CC)C2)CCCC1 ZINC001480090980 937932350 /nfs/dbraw/zinc/93/23/50/937932350.db2.gz ZGWOFSGYOPWTEE-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]2C[N@H+](CC(=C)Cl)CC[C@H]21 ZINC001480184222 937933845 /nfs/dbraw/zinc/93/38/45/937933845.db2.gz LLJIXSOTGSKLHK-LSDHHAIUSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]2C[N@@H+](CC(=C)Cl)CC[C@H]21 ZINC001480184222 937933846 /nfs/dbraw/zinc/93/38/46/937933846.db2.gz LLJIXSOTGSKLHK-LSDHHAIUSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]2C[N@@H+](CCCC)CC[C@H]21 ZINC001480186475 937934123 /nfs/dbraw/zinc/93/41/23/937934123.db2.gz NLHSNFLKQRIJDF-DLBZAZTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1CCCC[N@@H+]1C/C=C/Cl ZINC001480325402 937936517 /nfs/dbraw/zinc/93/65/17/937936517.db2.gz LPLZOIBAKHWHEV-RNVIBTMRSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1CCCC[N@H+]1C/C=C/Cl ZINC001480325402 937936518 /nfs/dbraw/zinc/93/65/18/937936518.db2.gz LPLZOIBAKHWHEV-RNVIBTMRSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)C(C)(C)F)C1 ZINC001480716002 937942382 /nfs/dbraw/zinc/94/23/82/937942382.db2.gz FJYMJPTXRZORMQ-KBPBESRZSA-N 1 1 284.419 3.012 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccoc2C)C1 ZINC001480715597 937942403 /nfs/dbraw/zinc/94/24/03/937942403.db2.gz BWNUCXPOUAPMQO-HNNXBMFYSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H](C)C(C)(C)C ZINC001480826987 937945760 /nfs/dbraw/zinc/94/57/60/937945760.db2.gz WCQJPFQKWBMQPE-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC1(CC(=O)NCC[N@H+](CC)C(C)C)CCCCC1 ZINC001493027906 937946962 /nfs/dbraw/zinc/94/69/62/937946962.db2.gz LFZZUYQFSDZRET-UHFFFAOYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@]1(C)CC=CCC1 ZINC001493109113 937947230 /nfs/dbraw/zinc/94/72/30/937947230.db2.gz SKZXMCNMWFFBLX-FUHWJXTLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)C ZINC001493156487 937947778 /nfs/dbraw/zinc/94/77/78/937947778.db2.gz QFSOYSDXYAGSMN-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C[C@H](CC)CC(=O)N(CCC)[C@@H]1CC[N@@H+](CC(=C)C)C1 ZINC001493963438 937952604 /nfs/dbraw/zinc/95/26/04/937952604.db2.gz XGTGSBNYUGUHMR-IAGOWNOFSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](CCNC(=O)C[C@H]2C=CCCC2)C1 ZINC001494027311 937952975 /nfs/dbraw/zinc/95/29/75/937952975.db2.gz DMIILHMKALJKQI-DLBZAZTESA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](CCNC(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001494057659 937953155 /nfs/dbraw/zinc/95/31/55/937953155.db2.gz DQUXPGDZQDBFNU-CVEARBPZSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)C(C)C)C1 ZINC001494163300 937953613 /nfs/dbraw/zinc/95/36/13/937953613.db2.gz PQENJCVJLCMISN-HOTGVXAUSA-N 1 1 280.456 3.025 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C/C=C(/C)C=C)C1 ZINC001494323648 937954212 /nfs/dbraw/zinc/95/42/12/937954212.db2.gz TYMJQAONRCMBKK-IZNAZMGOSA-N 1 1 276.424 3.056 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)c2cc(C)cs2)C1 ZINC001494703471 937955737 /nfs/dbraw/zinc/95/57/37/937955737.db2.gz VARHAVXYGADFNN-KBPBESRZSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2cccc(F)c2)C1 ZINC001494747529 937956046 /nfs/dbraw/zinc/95/60/46/937956046.db2.gz UVXFYQDFGSWPIF-CZUORRHYSA-N 1 1 290.382 3.043 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001494850936 937956761 /nfs/dbraw/zinc/95/67/61/937956761.db2.gz NMYRORKMHYJZRV-JKSUJKDBSA-N 1 1 292.467 3.005 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H](CCCC)C(C)C)C1 ZINC001494925106 937957383 /nfs/dbraw/zinc/95/73/83/937957383.db2.gz OUVFRXIAAXIDQZ-IAGOWNOFSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCC=CCCC1 ZINC001496726567 937963912 /nfs/dbraw/zinc/96/39/12/937963912.db2.gz OWGAMIQEWLDRHH-MRXNPFEDSA-N 1 1 278.440 3.089 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)c1ccoc1C1CC1 ZINC001498365025 937969308 /nfs/dbraw/zinc/96/93/08/937969308.db2.gz AHCKFMMJWHWFCO-CYBMUJFWSA-N 1 1 290.407 3.173 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)C1CCC(C)(C)CC1 ZINC001498464561 937969734 /nfs/dbraw/zinc/96/97/34/937969734.db2.gz IQUFSSZZVYZDAH-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)C1(C2CCCCC2)CC1 ZINC001498447004 937969932 /nfs/dbraw/zinc/96/99/32/937969932.db2.gz ZKSYKWJHHDIMMC-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCC(=O)N1CCC([C@@H]2CC[N@H+](CCC)C2)CC1 ZINC001499479528 937973522 /nfs/dbraw/zinc/97/35/22/937973522.db2.gz ZCSZHQCVHMRTNJ-QGZVFWFLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCC(=C)C)C2)C1 ZINC001499569622 937973848 /nfs/dbraw/zinc/97/38/48/937973848.db2.gz FKTKFXWRCDCRBP-GOSISDBHSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@H](C)CC(C)C)C2)C1 ZINC001499615692 937973863 /nfs/dbraw/zinc/97/38/63/937973863.db2.gz GENGXTBBLNLEBB-AEFFLSMTSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC(=O)N[C@@]1(C)CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001500189530 937976222 /nfs/dbraw/zinc/97/62/22/937976222.db2.gz IIGBXHSZYMVARX-QAPCUYQASA-N 1 1 286.419 3.294 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)CCC2CC2)C1 ZINC001500200159 937976251 /nfs/dbraw/zinc/97/62/51/937976251.db2.gz MDTNRMTWNBSBSI-WMLDXEAASA-N 1 1 278.440 3.112 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@]1(C)CC[N@@H+](CCC(=C)C)C1 ZINC001500250465 937976544 /nfs/dbraw/zinc/97/65/44/937976544.db2.gz BYNWVZLFZQOGAV-RDJZCZTQSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC(C)C ZINC001501374409 937979301 /nfs/dbraw/zinc/97/93/01/937979301.db2.gz QYZOWAZVBLLYAH-JKSUJKDBSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC(C)C ZINC001501396189 937979540 /nfs/dbraw/zinc/97/95/40/937979540.db2.gz TVAXMTIMYGPIML-ZACQAIPSSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC(=C)C ZINC001501396593 937979578 /nfs/dbraw/zinc/97/95/78/937979578.db2.gz WWKSEUSZQSFSEP-IRXDYDNUSA-N 1 1 290.451 3.374 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H](NC(=O)C2CCCC2)CC1 ZINC001502102026 937980974 /nfs/dbraw/zinc/98/09/74/937980974.db2.gz OBQBSBZNCPIZKE-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)CCC2CCC2)CC1 ZINC001502117681 937981195 /nfs/dbraw/zinc/98/11/95/937981195.db2.gz ZNNLGCICZBHTBG-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC001502386905 937982214 /nfs/dbraw/zinc/98/22/14/937982214.db2.gz GVOCYFRTKJGSHW-DLBZAZTESA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@H+](C[C@H](F)CC)CC1(C)C ZINC001502829449 937983322 /nfs/dbraw/zinc/98/33/22/937983322.db2.gz VGQIECSLOUBURX-CABCVRRESA-N 1 1 298.446 3.308 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)CCCF)C(C)(C)C1 ZINC001502830503 937983330 /nfs/dbraw/zinc/98/33/30/937983330.db2.gz IKYXGYWSXOUGQD-LSDHHAIUSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)CCCC2CC2)C(C)(C)C1 ZINC001502832060 937983399 /nfs/dbraw/zinc/98/33/99/937983399.db2.gz JYMXZZTZEUDCKJ-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)c2cccs2)C[C@@H]1C ZINC001502900769 937983809 /nfs/dbraw/zinc/98/38/09/937983809.db2.gz VCSMIUPDGSXBNG-KBPBESRZSA-N 1 1 292.448 3.297 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)CCCCC(C)C)C[C@@H]1C ZINC001503003462 937983949 /nfs/dbraw/zinc/98/39/49/937983949.db2.gz RSFZXDCTTLTKMI-JKSUJKDBSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001505430646 937985330 /nfs/dbraw/zinc/98/53/30/937985330.db2.gz GVJGFLXFIPCSFR-ARFHVFGLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)C=C ZINC001505441971 937985494 /nfs/dbraw/zinc/98/54/94/937985494.db2.gz NMJHWVGKHOCJCL-HOTGVXAUSA-N 1 1 292.467 3.476 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1[nH]c(C)cc1C ZINC001505945491 937987899 /nfs/dbraw/zinc/98/78/99/937987899.db2.gz DMJHEZNTVBVWRQ-CABCVRRESA-N 1 1 291.439 3.036 20 30 CGEDMO C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)CC(C)C ZINC001506581968 937990848 /nfs/dbraw/zinc/99/08/48/937990848.db2.gz ZRTXSKDEPVZTFK-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)C[C@@H](C)C3CC3)CCC[C@@H]12 ZINC001507354311 937995194 /nfs/dbraw/zinc/99/51/94/937995194.db2.gz GELRTZDSQJJFHB-QGPMSJSTSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C2CC(C)(C)C2)[C@@H]1C ZINC001507375590 937995717 /nfs/dbraw/zinc/99/57/17/937995717.db2.gz WPXPMSVFKTXFOR-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C(=O)CC1(C)CC1)C(C)C ZINC001507824777 937996873 /nfs/dbraw/zinc/99/68/73/937996873.db2.gz AAJHNYHLURPPNQ-UHFFFAOYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)[C@@H](F)C(C)C)CC1 ZINC001508215857 937998643 /nfs/dbraw/zinc/99/86/43/937998643.db2.gz XDZVGCICQHSTKF-HOCLYGCPSA-N 1 1 296.430 3.084 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@@H](CC)CC(C)C)CC1 ZINC001508227401 937998698 /nfs/dbraw/zinc/99/86/98/937998698.db2.gz LZGZUGULWKCZBY-KRWDZBQOSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CC[C@@H]1N(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CCCC1(C)C ZINC001519870372 938021440 /nfs/dbraw/zinc/02/14/40/938021440.db2.gz IYUQQCIUQGVVIJ-CVEARBPZSA-N 1 1 292.467 3.453 20 30 CGEDMO C=CCCC1(CNC(=O)[C@H]2CCC[N@H+]2C2CC2)CCCC1 ZINC001557476301 938210218 /nfs/dbraw/zinc/21/02/18/938210218.db2.gz WVXQUCBEMYIPAT-MRXNPFEDSA-N 1 1 290.451 3.256 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)[C@H]1CCC[N@H+](C(C)C)C1 ZINC001557869781 938212154 /nfs/dbraw/zinc/21/21/54/938212154.db2.gz YZRVMUYYOVLMMZ-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO CCCCN(O)C(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC001559035349 938219230 /nfs/dbraw/zinc/21/92/30/938219230.db2.gz NAHPJQFTCWENSG-HNNXBMFYSA-N 1 1 278.396 3.087 20 30 CGEDMO CC[N@@H+](CCC1(C(=O)OC(C)(C)C)CCC1)C[C@@H](C)C#N ZINC001559508982 938228046 /nfs/dbraw/zinc/22/80/46/938228046.db2.gz TTXXNRSAUAUIGL-AWEZNQCLSA-N 1 1 294.439 3.370 20 30 CGEDMO CN1CCN(Cc2cc(Cl)cc(C#N)c2)c2ccc[nH+]c21 ZINC001559718980 938233342 /nfs/dbraw/zinc/23/33/42/938233342.db2.gz ZXWPXNSNLIYZSC-UHFFFAOYSA-N 1 1 298.777 3.063 20 30 CGEDMO CCCCCCCCCC[N@@H+]1CCC[C@@H](O)[C@H]1C(=O)OC ZINC001559752663 938234735 /nfs/dbraw/zinc/23/47/35/938234735.db2.gz DMDLCUDWZFJBDB-CVEARBPZSA-N 1 1 299.455 3.125 20 30 CGEDMO CCCCCCCCCC[N@H+]1CCC[C@@H](O)[C@H]1C(=O)OC ZINC001559752663 938234736 /nfs/dbraw/zinc/23/47/36/938234736.db2.gz DMDLCUDWZFJBDB-CVEARBPZSA-N 1 1 299.455 3.125 20 30 CGEDMO CCCCCCCCC[N@H+]1C[C@@H](C)O[C@H](COC)C1 ZINC001559762772 938235040 /nfs/dbraw/zinc/23/50/40/938235040.db2.gz UEBSUXFFVUWRSI-CVEARBPZSA-N 1 1 271.445 3.473 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)CCOc1cc(Cl)cc(Cl)c1 ZINC001559797329 938236157 /nfs/dbraw/zinc/23/61/57/938236157.db2.gz NCIGWLAYMWLZIQ-SNVBAGLBSA-N 1 1 272.175 3.326 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)Cc1cccc(Cl)c1F ZINC001559797112 938236189 /nfs/dbraw/zinc/23/61/89/938236189.db2.gz GXFJXEKPDQVPHA-UHFFFAOYSA-N 1 1 284.806 3.419 20 30 CGEDMO CN(C)c1ccc(C[N@@H+](C)CCc2cccc(C#N)c2)cc1 ZINC001560083964 938243388 /nfs/dbraw/zinc/24/33/88/938243388.db2.gz FOVGTZXEQIDCNJ-UHFFFAOYSA-N 1 1 293.414 3.299 20 30 CGEDMO C#CC[N@H+](CCOc1ccccc1OCC)C(C)(C)C ZINC001560156117 938245386 /nfs/dbraw/zinc/24/53/86/938245386.db2.gz DLSRPDOOXJQKEL-UHFFFAOYSA-N 1 1 275.392 3.198 20 30 CGEDMO C#CC[N@H+](C[C@H](OC(C)C)c1ccccc1)C(C)C ZINC001560164606 938245727 /nfs/dbraw/zinc/24/57/27/938245727.db2.gz FOWRSBTXUYBQHC-KRWDZBQOSA-N 1 1 259.393 3.496 20 30 CGEDMO C=CCCC[N@H+](CC)C[C@H]1CCCC[C@@H]1C(=O)OC ZINC001560204466 938246956 /nfs/dbraw/zinc/24/69/56/938246956.db2.gz MJXPZUFLMSBLJC-CABCVRRESA-N 1 1 267.413 3.254 20 30 CGEDMO C#C[C@@H]1CCCC[N@@H+]1C[C@H](O)c1cccc2ccccc21 ZINC001560209490 938247378 /nfs/dbraw/zinc/24/73/78/938247378.db2.gz OGQOHSPMLSUPCM-APWZRJJASA-N 1 1 279.383 3.361 20 30 CGEDMO C[C@H]1CC[C@H](NCC(C)(C)C#N)C[N@@H+]1Cc1ccccc1 ZINC001560741249 938273350 /nfs/dbraw/zinc/27/33/50/938273350.db2.gz QBBZHYAFKYQLNK-RDJZCZTQSA-N 1 1 285.435 3.179 20 30 CGEDMO C[C@H]1CC[C@H](NCC(C)(C)C#N)C[N@H+]1Cc1ccccc1 ZINC001560741249 938273351 /nfs/dbraw/zinc/27/33/51/938273351.db2.gz QBBZHYAFKYQLNK-RDJZCZTQSA-N 1 1 285.435 3.179 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2c(F)cccc2OCC)C1 ZINC001560906366 938283249 /nfs/dbraw/zinc/28/32/49/938283249.db2.gz IMAOYQMPSHMBRH-ZDUSSCGKSA-N 1 1 261.340 3.070 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2noc3cc(F)ccc32)cc1F ZINC001560981213 938287658 /nfs/dbraw/zinc/28/76/58/938287658.db2.gz LPWFLZZBFKYSNG-UHFFFAOYSA-N 1 1 299.280 3.267 20 30 CGEDMO CC#CC[N@@H+](C)CCCc1c(F)cccc1Cl ZINC001561032607 938290677 /nfs/dbraw/zinc/29/06/77/938290677.db2.gz KGMHYOOAZDJTTO-UHFFFAOYSA-N 1 1 253.748 3.367 20 30 CGEDMO C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCC[N@H+](CC)C(C)C ZINC001563901026 938305821 /nfs/dbraw/zinc/30/58/21/938305821.db2.gz AFVFFRXRIZPLJF-CVEARBPZSA-N 1 1 295.471 3.151 20 30 CGEDMO C=C1CCC(C(=O)NCC[N@H+](CC)C[C@@H](C)CC)CC1 ZINC001480998557 957701412 /nfs/dbraw/zinc/70/14/12/957701412.db2.gz RSFRUHVXWBTJCG-AWEZNQCLSA-N 1 1 280.456 3.217 20 30 CGEDMO CCCCCCC[NH2+]C1(C(=O)OC)CCCCC1 ZINC001307480073 957724335 /nfs/dbraw/zinc/72/43/35/957724335.db2.gz AHUONBHPKHCQKY-UHFFFAOYSA-N 1 1 255.402 3.422 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)C1CCC1 ZINC001230573319 957848487 /nfs/dbraw/zinc/84/84/87/957848487.db2.gz UBZWJBYCTZYEPC-MRXNPFEDSA-N 1 1 280.456 3.290 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cnc(OC)c(F)c1 ZINC001144466213 957875476 /nfs/dbraw/zinc/87/54/76/957875476.db2.gz KGCCWMBIRKGBFW-UHFFFAOYSA-N 1 1 252.333 3.017 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](CC/C=C\CC)C1 ZINC001317139636 960432143 /nfs/dbraw/zinc/43/21/43/960432143.db2.gz PPAOHYAJMZBJHW-PTZVLDCSSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)C[C@@H](CC)C(C)(C)C ZINC001569146568 960449086 /nfs/dbraw/zinc/44/90/86/960449086.db2.gz HQVXVGIHCXVSMQ-LSDHHAIUSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CC(C)(C)C(=O)N(C)C[C@H]1CC[N@H+]1CC1CCCCC1 ZINC001565822659 960835753 /nfs/dbraw/zinc/83/57/53/960835753.db2.gz KLMKZKYBBQMAEH-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)C(C)(C)C1CCC1 ZINC001566559714 960951661 /nfs/dbraw/zinc/95/16/61/960951661.db2.gz QMEFRCHRFWPGFU-UHFFFAOYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)CCCNC(=O)c1ccoc1CC ZINC001566548310 960955260 /nfs/dbraw/zinc/95/52/60/960955260.db2.gz DQARXTLXRYJGPJ-UHFFFAOYSA-N 1 1 298.814 3.036 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)c1ccc(F)s1)C1CC1 ZINC001566603889 960963277 /nfs/dbraw/zinc/96/32/77/960963277.db2.gz HGXFONORWMNPKL-UHFFFAOYSA-N 1 1 296.411 3.048 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](C/C=C/c2ccccc2)C1 ZINC001566671283 960970038 /nfs/dbraw/zinc/97/00/38/960970038.db2.gz RUJXYQMRRVBEMO-YRYLYKBFSA-N 1 1 298.430 3.103 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCCN(C(=O)C(C)C)C1 ZINC001566737214 960995182 /nfs/dbraw/zinc/99/51/82/960995182.db2.gz YWSFRFYBCDUMDH-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)CCC(=C)C)C1 ZINC001566873393 961037951 /nfs/dbraw/zinc/03/79/51/961037951.db2.gz DJDUBNPAXFNUMR-INIZCTEOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)C=C1CCC1 ZINC001567248686 961153687 /nfs/dbraw/zinc/15/36/87/961153687.db2.gz YIUZVIZKSFVHKV-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)C[C@@H]1CCCC[C@H]1C ZINC001567322052 961277046 /nfs/dbraw/zinc/27/70/46/961277046.db2.gz PLYQBKDCNFJGQE-CVEARBPZSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)c1ccc(F)cc1Cl ZINC001567316830 961280689 /nfs/dbraw/zinc/28/06/89/961280689.db2.gz UAPMLPPALBEFJS-UHFFFAOYSA-N 1 1 298.789 3.107 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCNC(=O)c1ccc(C)c(Cl)c1 ZINC001567302341 961282523 /nfs/dbraw/zinc/28/25/23/961282523.db2.gz YQXXXOABMQFDLF-UHFFFAOYSA-N 1 1 294.826 3.276 20 30 CGEDMO CCC/C=C\CC[N@@H+](CC)CCNC(=O)C#CC(C)(C)C ZINC001567331655 961288216 /nfs/dbraw/zinc/28/82/16/961288216.db2.gz DUNFYRAPABTHAD-KTKRTIGZSA-N 1 1 292.467 3.220 20 30 CGEDMO C=CCC[N@@H+](CCC)CCNC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC001567429243 961339522 /nfs/dbraw/zinc/33/95/22/961339522.db2.gz NPKPAAWOZKEXTK-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=Cc1ccc(C(=O)NCC[N@H+](CC(=C)C)C2CC2)cc1 ZINC001567450855 961354814 /nfs/dbraw/zinc/35/48/14/961354814.db2.gz TVXGVCFKLGQNRF-UHFFFAOYSA-N 1 1 284.403 3.100 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)c1ccc(F)cc1)C(C)C ZINC001567636186 961375922 /nfs/dbraw/zinc/37/59/22/961375922.db2.gz VQFPKFSQVVLHSO-UHFFFAOYSA-N 1 1 292.398 3.232 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)CC2CCCCC2)C1 ZINC001567679401 961389463 /nfs/dbraw/zinc/38/94/63/961389463.db2.gz QKFIVCDYJQEPAT-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C#CCCCC(=O)N(CCC)[C@@H]1CC[N@@H+](C[C@H](C)CC)C1 ZINC001567682777 961398681 /nfs/dbraw/zinc/39/86/81/961398681.db2.gz PDAYCVMQPABUBZ-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](N(CCC)C(=O)c2occc2Cl)C1 ZINC001567689388 961402339 /nfs/dbraw/zinc/40/23/39/961402339.db2.gz VVNYZMMDOIDGOL-GFCCVEGCSA-N 1 1 296.798 3.046 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)c2occc2Cl)C1 ZINC001567689388 961402355 /nfs/dbraw/zinc/40/23/55/961402355.db2.gz VVNYZMMDOIDGOL-GFCCVEGCSA-N 1 1 296.798 3.046 20 30 CGEDMO C=Cc1ccc(C(=O)NCC[C@@H]2CC[N@H+](CC(=C)C)C2)cc1 ZINC001567708770 961407364 /nfs/dbraw/zinc/40/73/64/961407364.db2.gz ABVFKGVEEQHLAV-QGZVFWFLSA-N 1 1 298.430 3.348 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[C@@H](C[N@@H+](C)CC(C)C)C1 ZINC001567736818 961412641 /nfs/dbraw/zinc/41/26/41/961412641.db2.gz PSGKQTRKPUTMNK-DOTOQJQBSA-N 1 1 280.456 3.025 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[C@@H](C[N@@H+](C)CC=C(C)C)C1 ZINC001567735718 961412842 /nfs/dbraw/zinc/41/28/42/961412842.db2.gz FYPVMAMLLMXPMG-SJORKVTESA-N 1 1 292.467 3.335 20 30 CGEDMO C=CC[N@H+](C)CC1CCN(C(=O)[C@H](C)C(C)(C)C)CC1 ZINC001567748819 961416524 /nfs/dbraw/zinc/41/65/24/961416524.db2.gz QMTPZMWMFOTSDL-AWEZNQCLSA-N 1 1 280.456 3.025 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)CCCCC)C1 ZINC001567760032 961426172 /nfs/dbraw/zinc/42/61/72/961426172.db2.gz PCBAZKYXXRJBDT-OAHLLOKOSA-N 1 1 266.429 3.114 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(CC)(CC)CC ZINC001567864894 961447353 /nfs/dbraw/zinc/44/73/53/961447353.db2.gz LGOHDAFORWJMQF-HOTGVXAUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)CCC(=O)N(CC)[C@@H]1CC[N@H+](CCCC)C1 ZINC001567939225 961464190 /nfs/dbraw/zinc/46/41/90/961464190.db2.gz PKIZWRPSNMUALU-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C2(C3CC3)CC2)C1 ZINC001567914789 961467344 /nfs/dbraw/zinc/46/73/44/961467344.db2.gz XLLWEVBWMCQALI-GDBMZVCRSA-N 1 1 290.451 3.064 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H](CCC)C(C)C)C1 ZINC001567942635 961471282 /nfs/dbraw/zinc/47/12/82/961471282.db2.gz RBLJGNACSVTLBZ-IAGOWNOFSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCCc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001568003412 961486372 /nfs/dbraw/zinc/48/63/72/961486372.db2.gz SXNBEMIMPDKKBU-OAHLLOKOSA-N 1 1 290.382 3.178 20 30 CGEDMO C=C(C)C[N@@H+](C)CCC1CCN(C(=O)C=C2CCC2)CC1 ZINC001568436801 961575253 /nfs/dbraw/zinc/57/52/53/961575253.db2.gz UITWONFVDHOKTD-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)c1cccc(Cl)c1F ZINC001568494632 961591260 /nfs/dbraw/zinc/59/12/60/961591260.db2.gz IFORHAPQJKKIFL-UHFFFAOYSA-N 1 1 298.789 3.059 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)C1CCC(=C)CC1 ZINC001568495159 961598645 /nfs/dbraw/zinc/59/86/45/961598645.db2.gz ALFCVMIZFFZAAM-UHFFFAOYSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCCCC)CC[C@@H]21 ZINC001568515488 961604797 /nfs/dbraw/zinc/60/47/97/961604797.db2.gz LKUAQXZORUMHSM-SJORKVTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)/C=C/C1CCCCC1 ZINC001568551649 961614423 /nfs/dbraw/zinc/61/44/23/961614423.db2.gz NGUBVEMLQZZLAC-VAWYXSNFSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CC[N@H+]1CC1CCCCCC1 ZINC001569350031 961742454 /nfs/dbraw/zinc/74/24/54/961742454.db2.gz DDYWTVNTQQQCAD-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCC1CC1 ZINC001569446810 961770847 /nfs/dbraw/zinc/77/08/47/961770847.db2.gz DKIRTRLKCGOKRQ-SJORKVTESA-N 1 1 290.451 3.208 20 30 CGEDMO C#CCCCCC(=O)N[C@]1(C)CC[N@H+]([C@@H](C)CCC=C)C1 ZINC001569635358 961807020 /nfs/dbraw/zinc/80/70/20/961807020.db2.gz KAXBHEYBCGZUTI-FUHWJXTLSA-N 1 1 290.451 3.115 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@]1(C)CC[N@@H+](CCCCCF)C1 ZINC001569639008 961809541 /nfs/dbraw/zinc/80/95/41/961809541.db2.gz LKDOEGVTWZMJMJ-KRWDZBQOSA-N 1 1 298.446 3.309 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)C2CCCCC2)C1 ZINC001569708648 961831244 /nfs/dbraw/zinc/83/12/44/961831244.db2.gz FIHIRTRRJZYVEH-SFHVURJKSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCC(C)(C)C(=O)N1C[C@@H]2C[N@@H+](CCCCC)C[C@@H]2C1 ZINC001569879714 961856970 /nfs/dbraw/zinc/85/69/70/961856970.db2.gz CKSGTAPHVZMJSY-IYBDPMFKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C)CC)CC1 ZINC001570175586 961915404 /nfs/dbraw/zinc/91/54/04/961915404.db2.gz XMVPTXIISGXYEK-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@H+](C)CCCN(C)C(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001570215082 961933302 /nfs/dbraw/zinc/93/33/02/961933302.db2.gz ZQAAUOPZTBOZQY-QAQDUYKDSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC(C)(C)C1 ZINC001570207292 961935796 /nfs/dbraw/zinc/93/57/96/961935796.db2.gz LQEZGNXCSFHOAS-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@]2(CC[N@H+](CCC)C2)C1 ZINC001570273393 961946805 /nfs/dbraw/zinc/94/68/05/961946805.db2.gz PRFMFKMXVRVGLQ-KRWDZBQOSA-N 1 1 278.440 3.067 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](CC2CCC2)[C@@H](C)C1 ZINC001570440468 961966101 /nfs/dbraw/zinc/96/61/01/961966101.db2.gz MAVHAVROSRJJHL-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CC[N@@H+](CC(=C)C)[C@@H](C)C1 ZINC001570438180 961970020 /nfs/dbraw/zinc/97/00/20/961970020.db2.gz WLUBJTPRIVUNCC-RDJZCZTQSA-N 1 1 290.451 3.300 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](CCCCCF)[C@@H](C)C1 ZINC001570438123 961971324 /nfs/dbraw/zinc/97/13/24/961971324.db2.gz VUDQLMMRSALXJL-HOTGVXAUSA-N 1 1 298.446 3.452 20 30 CGEDMO C=C(C)CC[N@H+](CC)CC1CCN(C(=O)C(C)C)CC1 ZINC001570500248 961979351 /nfs/dbraw/zinc/97/93/51/961979351.db2.gz OCKOHTDAFXFKQS-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C#CCCCC(=O)N1CCC[C@H]1C[N@H+](C)CCCC(C)C ZINC001570530079 961994150 /nfs/dbraw/zinc/99/41/50/961994150.db2.gz CWZJTKCEAYFJSZ-KRWDZBQOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)C1(F)CCCC1 ZINC001570720667 962054360 /nfs/dbraw/zinc/05/43/60/962054360.db2.gz XLNVRZXUUPFIFT-UONOGXRCSA-N 1 1 284.419 3.060 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)C12CCC(CC1)CC2 ZINC001570752026 962067274 /nfs/dbraw/zinc/06/72/74/962067274.db2.gz UDBCOZIHOVQRBF-KLHKWILBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)c1cc2ccccc2[nH]1 ZINC001570749904 962073538 /nfs/dbraw/zinc/07/35/38/962073538.db2.gz GASQSNUZMYVEPI-CQSZACIVSA-N 1 1 299.418 3.184 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C)SC ZINC001570818658 962096056 /nfs/dbraw/zinc/09/60/56/962096056.db2.gz WXRWJMABUUNUAK-CABCVRRESA-N 1 1 298.496 3.065 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)CCC(C)C)C2)C1 ZINC001571028681 962116733 /nfs/dbraw/zinc/11/67/33/962116733.db2.gz NZWSRBZQPVCAIO-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC2(CN(C(=O)CCCCC)C2)C1 ZINC001571029004 962116978 /nfs/dbraw/zinc/11/69/78/962116978.db2.gz RVQQNGPKQSNWBA-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCC[N@@H+]1CCCC2(CN(C(=O)C[C@@H](C=C)CC)C2)C1 ZINC001571044073 962118952 /nfs/dbraw/zinc/11/89/52/962118952.db2.gz SSDHREOIOKXSNO-INIZCTEOSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)CCC3CC3)CCC[C@H]12 ZINC001571497558 962167134 /nfs/dbraw/zinc/16/71/34/962167134.db2.gz RYFATZCBKOSVMA-HOCLYGCPSA-N 1 1 296.842 3.042 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)CCC3CC3)CCC[C@H]12 ZINC001571497558 962167145 /nfs/dbraw/zinc/16/71/45/962167145.db2.gz RYFATZCBKOSVMA-HOCLYGCPSA-N 1 1 296.842 3.042 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)F)[C@H]1C ZINC001571512762 962171380 /nfs/dbraw/zinc/17/13/80/962171380.db2.gz KNJGXIMQKFHTGB-HUUCEWRRSA-N 1 1 298.446 3.450 20 30 CGEDMO C=CC(C)(C)CC(=O)NCC1=CC[N@@H+](CC2CCC2)CC1 ZINC001571688553 962207287 /nfs/dbraw/zinc/20/72/87/962207287.db2.gz QVCGWNGGYQUJNC-UHFFFAOYSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC1(CC(=O)N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)CCCCC1 ZINC001583881729 962861507 /nfs/dbraw/zinc/86/15/07/962861507.db2.gz XSTLDKJPFVDGHO-HZPDHXFCSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC001584398884 962919495 /nfs/dbraw/zinc/91/94/95/962919495.db2.gz SUYGZOZOIXHVRN-KFWWJZLASA-N 1 1 278.440 3.110 20 30 CGEDMO C=CC[N@H+](CC/C=C\CC)Cc1cccc(-c2nn[nH]n2)c1 ZINC001588632197 963292636 /nfs/dbraw/zinc/29/26/36/963292636.db2.gz MXIRYGKFYXFAQU-WAYWQWQTSA-N 1 1 297.406 3.211 20 30 CGEDMO C=CCC[C@@H](O)C[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000621403961 349521422 /nfs/dbraw/zinc/52/14/22/349521422.db2.gz DPXOZNTZYXPIBY-CHWSQXEVSA-N 1 1 261.356 3.117 20 30 CGEDMO Cc1nn(C)cc1C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000350656690 219045721 /nfs/dbraw/zinc/04/57/21/219045721.db2.gz JGMQTBPDLWQNMU-UHFFFAOYSA-N 1 1 296.418 3.258 20 30 CGEDMO Cc1cc(C#N)ccc1CN1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000590014787 346821814 /nfs/dbraw/zinc/82/18/14/346821814.db2.gz IOMYHAUQNRQZNJ-OAHLLOKOSA-N 1 1 297.446 3.173 20 30 CGEDMO C=CCC[N@H+](C)Cc1nc(C(C)C)n2ccccc12 ZINC000651782517 398286548 /nfs/dbraw/zinc/28/65/48/398286548.db2.gz UIDVTOHHRMEABE-UHFFFAOYSA-N 1 1 257.381 3.466 20 30 CGEDMO C=CCCN(C)Cc1[nH+]c(C(C)C)n2ccccc12 ZINC000651782517 398286550 /nfs/dbraw/zinc/28/65/50/398286550.db2.gz UIDVTOHHRMEABE-UHFFFAOYSA-N 1 1 257.381 3.466 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2C[C@@H](C)OCC23CCC3)cc1 ZINC000651975331 398314400 /nfs/dbraw/zinc/31/44/00/398314400.db2.gz AFAXIJFNSLWPSQ-OAHLLOKOSA-N 1 1 287.403 3.395 20 30 CGEDMO C[C@@H]1[C@H](O)CC[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000590762155 346872685 /nfs/dbraw/zinc/87/26/85/346872685.db2.gz ITMNOGUCTOEGAA-AUUYWEPGSA-N 1 1 292.382 3.180 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000591013293 346894701 /nfs/dbraw/zinc/89/47/01/346894701.db2.gz WOCJZDNIGNEHKL-ZBFHGGJFSA-N 1 1 258.365 3.142 20 30 CGEDMO COc1ccc(C[N@@H+](C)CCC2(C#N)CCCCC2)cn1 ZINC000591019687 346895313 /nfs/dbraw/zinc/89/53/13/346895313.db2.gz UTDVFISHGAFOBV-UHFFFAOYSA-N 1 1 287.407 3.386 20 30 CGEDMO Cc1noc([C@@H]2CCC[N@@H+]2CCC2(C#N)CCCCC2)n1 ZINC000591037326 346895739 /nfs/dbraw/zinc/89/57/39/346895739.db2.gz KBOXMBHFDXETLB-AWEZNQCLSA-N 1 1 288.395 3.379 20 30 CGEDMO Cc1noc([C@@H]2CCC[N@H+]2CCC2(C#N)CCCCC2)n1 ZINC000591037326 346895741 /nfs/dbraw/zinc/89/57/41/346895741.db2.gz KBOXMBHFDXETLB-AWEZNQCLSA-N 1 1 288.395 3.379 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](C2CCC2)C1 ZINC000591063290 346898183 /nfs/dbraw/zinc/89/81/83/346898183.db2.gz OERXWGDURUFSMQ-HNNXBMFYSA-N 1 1 270.376 3.189 20 30 CGEDMO CCCC[C@H](CN)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000591577756 346930339 /nfs/dbraw/zinc/93/03/39/346930339.db2.gz LQFJJYSXPAYECX-WBVHZDCISA-N 1 1 271.408 3.043 20 30 CGEDMO CCc1ncc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cn1 ZINC000414370919 529752728 /nfs/dbraw/zinc/75/27/28/529752728.db2.gz MHLFEMPVMVOGGO-UHFFFAOYSA-N 1 1 292.386 3.075 20 30 CGEDMO CCc1ncc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cn1 ZINC000414370919 529752729 /nfs/dbraw/zinc/75/27/29/529752729.db2.gz MHLFEMPVMVOGGO-UHFFFAOYSA-N 1 1 292.386 3.075 20 30 CGEDMO N#Cc1cnccc1C[N@@H+](C1CC1)C1CCCCC1 ZINC000592060486 346958275 /nfs/dbraw/zinc/95/82/75/346958275.db2.gz QBZVKMOWAIYNOJ-UHFFFAOYSA-N 1 1 255.365 3.250 20 30 CGEDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccncc1C#N ZINC000592072883 346960037 /nfs/dbraw/zinc/96/00/37/346960037.db2.gz QGKLLVPVGAJSHX-IOASZLSFSA-N 1 1 255.365 3.106 20 30 CGEDMO C[C@]1(c2ccccc2)CC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592071791 346960474 /nfs/dbraw/zinc/96/04/74/346960474.db2.gz PUDIOXRCYCXYTH-SFHVURJKSA-N 1 1 277.371 3.117 20 30 CGEDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1ccncc1C#N ZINC000592071524 346960761 /nfs/dbraw/zinc/96/07/61/346960761.db2.gz JUAYNWVCSMMELV-KDOFPFPSSA-N 1 1 277.371 3.331 20 30 CGEDMO C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC000592136499 346966168 /nfs/dbraw/zinc/96/61/68/346966168.db2.gz CFCMLAPHEUKJBZ-JKSUJKDBSA-N 1 1 287.403 3.230 20 30 CGEDMO C[C@H]1CC2(C[N@H+]1Cc1ccc(C#N)cc1F)CCOCC2 ZINC000592183756 346970492 /nfs/dbraw/zinc/97/04/92/346970492.db2.gz WOGMMUBMEJWIQO-ZDUSSCGKSA-N 1 1 288.366 3.088 20 30 CGEDMO CC(C)[C@H]1[N@@H+](C[C@@H](C#N)CCC#N)CC12CC=CC2 ZINC000592446646 346987192 /nfs/dbraw/zinc/98/71/92/346987192.db2.gz KZMUZKUXPAMQEI-HUUCEWRRSA-N 1 1 257.381 3.107 20 30 CGEDMO CC(C)Cn1nccc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000592497822 346993741 /nfs/dbraw/zinc/99/37/41/346993741.db2.gz JFUYCNLOQQSCDP-UHFFFAOYSA-N 1 1 282.391 3.043 20 30 CGEDMO CC(C)Cn1nccc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000592497822 346993746 /nfs/dbraw/zinc/99/37/46/346993746.db2.gz JFUYCNLOQQSCDP-UHFFFAOYSA-N 1 1 282.391 3.043 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000593041356 347032065 /nfs/dbraw/zinc/03/20/65/347032065.db2.gz RZHHEENKFWJVQQ-XJKSGUPXSA-N 1 1 260.356 3.481 20 30 CGEDMO CC[C@H](C)[N@@H+](CC)CCC(=O)Nc1ccccc1C#N ZINC000037113084 344947236 /nfs/dbraw/zinc/94/72/36/344947236.db2.gz FZDROHTWELBNET-ZDUSSCGKSA-N 1 1 273.380 3.007 20 30 CGEDMO C=CC[N@@H+](Cc1c(C)noc1C)Cc1ccccc1 ZINC000045796724 345030926 /nfs/dbraw/zinc/03/09/26/345030926.db2.gz YYQZJXNYQGDUGM-UHFFFAOYSA-N 1 1 256.349 3.480 20 30 CGEDMO C=CC[N@H+](Cc1c(C)noc1C)Cc1ccccc1 ZINC000045796724 345030928 /nfs/dbraw/zinc/03/09/28/345030928.db2.gz YYQZJXNYQGDUGM-UHFFFAOYSA-N 1 1 256.349 3.480 20 30 CGEDMO C[C@H](C(=O)Nc1ccccc1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046526512 345040769 /nfs/dbraw/zinc/04/07/69/345040769.db2.gz YPTZHRVGQYGKJD-CQSZACIVSA-N 1 1 293.370 3.017 20 30 CGEDMO C[C@H](C(=O)Nc1ccccc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046526512 345040774 /nfs/dbraw/zinc/04/07/74/345040774.db2.gz YPTZHRVGQYGKJD-CQSZACIVSA-N 1 1 293.370 3.017 20 30 CGEDMO COc1ccc(F)cc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000046517968 345040791 /nfs/dbraw/zinc/04/07/91/345040791.db2.gz NPGFONIDWUOOBO-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO COc1ccc(F)cc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000046517968 345040794 /nfs/dbraw/zinc/04/07/94/345040794.db2.gz NPGFONIDWUOOBO-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO CCCOc1ccc(OCC[N@H+](CC)C[C@H](C)C#N)cc1 ZINC000064248840 345258848 /nfs/dbraw/zinc/25/88/48/345258848.db2.gz IBLLJBRSFZLSAV-OAHLLOKOSA-N 1 1 290.407 3.336 20 30 CGEDMO CCCOc1ccc(OCC[N@@H+](CC)C[C@H](C)C#N)cc1 ZINC000064248840 345258850 /nfs/dbraw/zinc/25/88/50/345258850.db2.gz IBLLJBRSFZLSAV-OAHLLOKOSA-N 1 1 290.407 3.336 20 30 CGEDMO CC(C)(C)[C@H]1CCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000072608972 345414091 /nfs/dbraw/zinc/41/40/91/345414091.db2.gz HJRZNSMDFMWEGA-MRXNPFEDSA-N 1 1 299.418 3.397 20 30 CGEDMO N#CCSCCC[N@H+]1CCCc2sccc2C1 ZINC000074990511 345489556 /nfs/dbraw/zinc/48/95/56/345489556.db2.gz FGFQYWVBSRCGGZ-UHFFFAOYSA-N 1 1 266.435 3.143 20 30 CGEDMO N#CCCC[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000076152594 345535839 /nfs/dbraw/zinc/53/58/39/345535839.db2.gz QKLAWZVSUNMMPN-HOTGVXAUSA-N 1 1 253.349 3.062 20 30 CGEDMO N#CCCC[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000076152594 345535840 /nfs/dbraw/zinc/53/58/40/345535840.db2.gz QKLAWZVSUNMMPN-HOTGVXAUSA-N 1 1 253.349 3.062 20 30 CGEDMO C=CCNC(=O)C[N@H+](CC1CCC1)[C@H](C)c1ccccc1 ZINC000077372172 345571049 /nfs/dbraw/zinc/57/10/49/345571049.db2.gz DHDNPZLWLWAKRN-OAHLLOKOSA-N 1 1 286.419 3.152 20 30 CGEDMO CC[C@@H]1CCCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075616153 345515495 /nfs/dbraw/zinc/51/54/95/345515495.db2.gz LXTXTCXRDCRNME-OAHLLOKOSA-N 1 1 296.374 3.373 20 30 CGEDMO CCC[N@@H+](C)C[C@@H]1CCN(c2c(F)cc(C#N)cc2F)C1 ZINC000078562439 345612978 /nfs/dbraw/zinc/61/29/78/345612978.db2.gz PLLYQYPPUJEYOU-LBPRGKRZSA-N 1 1 293.361 3.005 20 30 CGEDMO CCC[N@@H+](C)C[C@H]1CCN(c2c(Cl)cccc2C#N)C1 ZINC000078563249 345613980 /nfs/dbraw/zinc/61/39/80/345613980.db2.gz ALQZTGVXACNKDF-CYBMUJFWSA-N 1 1 291.826 3.380 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1ccccc1Cl ZINC000078709106 345619613 /nfs/dbraw/zinc/61/96/13/345619613.db2.gz UBUVBEMPFFFJAK-ZDUSSCGKSA-N 1 1 294.826 3.415 20 30 CGEDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000080656098 345682290 /nfs/dbraw/zinc/68/22/90/345682290.db2.gz JXJUHIWZVRAJKN-WFASDCNBSA-N 1 1 296.374 3.229 20 30 CGEDMO N#CCC1(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC000088259272 345758201 /nfs/dbraw/zinc/75/82/01/345758201.db2.gz SSINYFAXEWIVKD-UHFFFAOYSA-N 1 1 289.810 3.156 20 30 CGEDMO CC[N@@H+](C)CCNc1c(C#N)cnc2ccc(Cl)cc21 ZINC000091461240 345815297 /nfs/dbraw/zinc/81/52/97/345815297.db2.gz BZWRVJYDIHMAGW-UHFFFAOYSA-N 1 1 288.782 3.123 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000091595329 345818487 /nfs/dbraw/zinc/81/84/87/345818487.db2.gz NSFKKCPTROHJOG-HOCLYGCPSA-N 1 1 260.381 3.280 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000091626717 345819466 /nfs/dbraw/zinc/81/94/66/345819466.db2.gz YWXMLJVJWSCFCF-ZDUSSCGKSA-N 1 1 286.379 3.308 20 30 CGEDMO CC[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccoc1 ZINC000102408109 345916266 /nfs/dbraw/zinc/91/62/66/345916266.db2.gz HVEBDZHZUMONDX-UHFFFAOYSA-N 1 1 297.358 3.002 20 30 CGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000159583250 346167727 /nfs/dbraw/zinc/16/77/27/346167727.db2.gz QSPFIMJKMZHGLO-RDJZCZTQSA-N 1 1 297.402 3.151 20 30 CGEDMO N#CCCCOc1cccc(C[NH2+]Cc2nccs2)c1 ZINC000171246407 346205137 /nfs/dbraw/zinc/20/51/37/346205137.db2.gz UKDICSZFBWHGSX-UHFFFAOYSA-N 1 1 287.388 3.115 20 30 CGEDMO N#Cc1cc(N[C@H]2CC[N@H+](C3CC3)C2)ccc1C(F)(F)F ZINC000163976567 346181734 /nfs/dbraw/zinc/18/17/34/346181734.db2.gz BLDYVOGJCPEYSH-LBPRGKRZSA-N 1 1 295.308 3.226 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@@H](C)COC ZINC000189787147 346263746 /nfs/dbraw/zinc/26/37/46/346263746.db2.gz DDKBXTXBGPQJJT-CYBMUJFWSA-N 1 1 251.345 3.096 20 30 CGEDMO C[C@@H]1Cc2[nH+]cn(CCOc3ccc(C#N)cc3)c2C[C@@H]1C ZINC000319717445 346488034 /nfs/dbraw/zinc/48/80/34/346488034.db2.gz JWWMVHGCTDWMAG-KGLIPLIRSA-N 1 1 295.386 3.205 20 30 CGEDMO N#CC1(C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)CCCC1 ZINC000593649970 347099495 /nfs/dbraw/zinc/09/94/95/347099495.db2.gz OTTCFCXOZXHHIO-UHFFFAOYSA-N 1 1 298.365 3.389 20 30 CGEDMO Cc1cc(C[NH2+]CC2(C#N)CCCC2)ccc1C#N ZINC000593655136 347100951 /nfs/dbraw/zinc/10/09/51/347100951.db2.gz YPSSDCODIXGZAX-UHFFFAOYSA-N 1 1 253.349 3.040 20 30 CGEDMO COc1cc(F)cc(C[NH2+]CC2(C#N)CCCC2)c1 ZINC000593654776 347101397 /nfs/dbraw/zinc/10/13/97/347101397.db2.gz ODQLRXUDCSONNF-UHFFFAOYSA-N 1 1 262.328 3.008 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cnc2c(C)cccn12 ZINC000352928946 346540077 /nfs/dbraw/zinc/54/00/77/346540077.db2.gz FLSZGXYMZIMYIY-UHFFFAOYSA-N 1 1 295.386 3.466 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(NC(C)=O)cc1 ZINC000491615795 346629348 /nfs/dbraw/zinc/62/93/48/346629348.db2.gz GUHPTJMJSCGFTI-UHFFFAOYSA-N 1 1 292.382 3.280 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](CC2Cc3ccccc3C2)C1 ZINC000589511580 346799159 /nfs/dbraw/zinc/79/91/59/346799159.db2.gz VZFFXRFRWJILGN-QGZVFWFLSA-N 1 1 254.377 3.027 20 30 CGEDMO N#CCCCC[C@H]([NH3+])c1nc(-c2ccccc2Cl)no1 ZINC000593944635 347121798 /nfs/dbraw/zinc/12/17/98/347121798.db2.gz YMMQURIIWQQQMO-LBPRGKRZSA-N 1 1 290.754 3.474 20 30 CGEDMO N#CCCCC[C@@H]([NH3+])c1nc(-c2cccc(Cl)c2)no1 ZINC000593944619 347121807 /nfs/dbraw/zinc/12/18/07/347121807.db2.gz YDFSJXDOBGDTSO-GFCCVEGCSA-N 1 1 290.754 3.474 20 30 CGEDMO Cc1ccc(C[N@H+](Cc2ccc(C#N)cn2)CC2CC2)cn1 ZINC000594015420 347137506 /nfs/dbraw/zinc/13/75/06/347137506.db2.gz MWQAFRYBLLKIRU-UHFFFAOYSA-N 1 1 292.386 3.069 20 30 CGEDMO C[C@H]1C[N@@H+](CCC(C)(C)C#N)CC2(CCCCC2)O1 ZINC000594057230 347146783 /nfs/dbraw/zinc/14/67/83/347146783.db2.gz BMHUZNRALOCBPQ-AWEZNQCLSA-N 1 1 264.413 3.350 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)o2)CC2(CCCCC2)O1 ZINC000594613184 347204153 /nfs/dbraw/zinc/20/41/53/347204153.db2.gz ALZHTRQCYGLUOY-CYBMUJFWSA-N 1 1 274.364 3.075 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)CC2(CCCCC2)O1 ZINC000594613184 347204156 /nfs/dbraw/zinc/20/41/56/347204156.db2.gz ALZHTRQCYGLUOY-CYBMUJFWSA-N 1 1 274.364 3.075 20 30 CGEDMO CC[C@@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccn(C)n1 ZINC000594517588 347187344 /nfs/dbraw/zinc/18/73/44/347187344.db2.gz KGJBXZYVEBBJIR-MRXNPFEDSA-N 1 1 294.402 3.412 20 30 CGEDMO CC[NH+](CC)[C@H](C)CNCc1ccc(C2(C#N)CC2)cc1 ZINC000594914390 347227897 /nfs/dbraw/zinc/22/78/97/347227897.db2.gz HNPAHZVAMVAKTQ-OAHLLOKOSA-N 1 1 285.435 3.062 20 30 CGEDMO CC(C)C[C@@H](CNCc1ccc(C2(C#N)CC2)cc1)[NH+](C)C ZINC000594915645 347228799 /nfs/dbraw/zinc/22/87/99/347228799.db2.gz VISHCHDFPQBCCE-SFHVURJKSA-N 1 1 299.462 3.308 20 30 CGEDMO N#CC1(c2ccc(C[NH2+][C@@H]3CCCc4c[nH]nc43)cc2)CC1 ZINC000594932345 347233489 /nfs/dbraw/zinc/23/34/89/347233489.db2.gz ZQHGYCLFHRLPRP-MRXNPFEDSA-N 1 1 292.386 3.132 20 30 CGEDMO Cc1nc2ccccn2c1C[NH2+]CC1(C#N)CCCCC1 ZINC000594980841 347247628 /nfs/dbraw/zinc/24/76/28/347247628.db2.gz BVCAWVTVDUMHAS-UHFFFAOYSA-N 1 1 282.391 3.206 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H](OC)C1CCC1 ZINC000595297641 347288285 /nfs/dbraw/zinc/28/82/85/347288285.db2.gz XWCUEEAJNXZRBG-GOSISDBHSA-N 1 1 284.403 3.361 20 30 CGEDMO CC(C)[N@H+]1CCCN([C@@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000595308096 347290061 /nfs/dbraw/zinc/29/00/61/347290061.db2.gz ZIBXZOYYMZKKNV-INIZCTEOSA-N 1 1 291.826 3.321 20 30 CGEDMO N#Cc1ccc(CCN2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC000595330124 347292950 /nfs/dbraw/zinc/29/29/50/347292950.db2.gz ZLMOMHRNLUYFIH-UHFFFAOYSA-N 1 1 297.446 3.051 20 30 CGEDMO C[C@H](c1ccncc1)[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595393322 347298357 /nfs/dbraw/zinc/29/83/57/347298357.db2.gz YGRCBKNSCYXKMC-CQSZACIVSA-N 1 1 265.360 3.189 20 30 CGEDMO C[C@H](N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(C#N)cc1 ZINC000595056851 347272504 /nfs/dbraw/zinc/27/25/04/347272504.db2.gz RNSZJTRJSJCTSO-BBRMVZONSA-N 1 1 271.408 3.082 20 30 CGEDMO C[C@H](N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(C#N)cc1 ZINC000595056851 347272506 /nfs/dbraw/zinc/27/25/06/347272506.db2.gz RNSZJTRJSJCTSO-BBRMVZONSA-N 1 1 271.408 3.082 20 30 CGEDMO CCc1cccc(OCC[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595610207 347326767 /nfs/dbraw/zinc/32/67/67/347326767.db2.gz TVSMASSJPSBDCP-MRXNPFEDSA-N 1 1 272.392 3.253 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595616360 347327293 /nfs/dbraw/zinc/32/72/93/347327293.db2.gz BIYWLZIZLWZWEZ-CXAGYDPISA-N 1 1 270.376 3.120 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000595615164 347327823 /nfs/dbraw/zinc/32/78/23/347327823.db2.gz POHDRPSPQHKTAG-GFCCVEGCSA-N 1 1 280.318 3.414 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595623105 347329584 /nfs/dbraw/zinc/32/95/84/347329584.db2.gz HMELHIHTPNOUAF-ZIAGYGMSSA-N 1 1 253.349 3.245 20 30 CGEDMO Cc1nc(C)c(C[NH2+]C(C)(C)c2cccc(C#N)c2)o1 ZINC000595639489 347330751 /nfs/dbraw/zinc/33/07/51/347330751.db2.gz JXWPIGWYLYFPDQ-UHFFFAOYSA-N 1 1 269.348 3.188 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000595662048 347335122 /nfs/dbraw/zinc/33/51/22/347335122.db2.gz YZNZXASTFXPTET-CYBMUJFWSA-N 1 1 258.340 3.485 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cccc(C(=O)OC)c2C#N)C1 ZINC000595661262 347335619 /nfs/dbraw/zinc/33/56/19/347335619.db2.gz XXIUDBSEVCISEM-AWEZNQCLSA-N 1 1 298.386 3.133 20 30 CGEDMO N#Cc1cnccc1C[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000595738715 347348697 /nfs/dbraw/zinc/34/86/97/347348697.db2.gz NLIYSTYTYGKGPH-MRXNPFEDSA-N 1 1 269.392 3.355 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](CCF)C2)cc1F ZINC000595754792 347350541 /nfs/dbraw/zinc/35/05/41/347350541.db2.gz CBHPELJHUDQGPQ-LBPRGKRZSA-N 1 1 264.319 3.269 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](CCF)C2)c1F ZINC000595755045 347350718 /nfs/dbraw/zinc/35/07/18/347350718.db2.gz FJSVTDQZJMSLCU-GFCCVEGCSA-N 1 1 264.319 3.269 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCSC[C@@H]2C2CCC2)cc1 ZINC000595553615 347318498 /nfs/dbraw/zinc/31/84/98/347318498.db2.gz ZXQWCKZBGNJQSU-QGZVFWFLSA-N 1 1 286.444 3.318 20 30 CGEDMO C[N@@H+](CCCCC(C)(C)C#N)[C@H](CO)Cc1ccccc1 ZINC000595591371 347322232 /nfs/dbraw/zinc/32/22/32/347322232.db2.gz GHOPSZMKYZNMDO-KRWDZBQOSA-N 1 1 288.435 3.242 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595822651 347360754 /nfs/dbraw/zinc/36/07/54/347360754.db2.gz ZJDVCXSWZOXXSH-UHFFFAOYSA-N 1 1 276.424 3.207 20 30 CGEDMO CN(c1ccccc1)[C@H]1CC[N@@H+](CCC(C)(C)C#N)C1 ZINC000595827978 347361794 /nfs/dbraw/zinc/36/17/94/347361794.db2.gz SJTAKONKWZIDQB-INIZCTEOSA-N 1 1 271.408 3.137 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C#N)c1F ZINC000595845351 347367298 /nfs/dbraw/zinc/36/72/98/347367298.db2.gz MAUVJYNLSJUFCW-GASCZTMLSA-N 1 1 256.324 3.380 20 30 CGEDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1ccc(C#N)cc1 ZINC000595858703 347368327 /nfs/dbraw/zinc/36/83/27/347368327.db2.gz YVJOXGXKZQRZIU-FUCXHRTASA-N 1 1 297.402 3.150 20 30 CGEDMO CCC[N@@H+](C)CC(C)(C)NCc1ccc(Cl)cc1C#N ZINC000595873056 347368993 /nfs/dbraw/zinc/36/89/93/347368993.db2.gz JFJBPSKJBAIZKF-UHFFFAOYSA-N 1 1 293.842 3.422 20 30 CGEDMO C[N@@H+](CCCC1(C#N)CCOCC1)C[C@H]1CC1(C)C ZINC000595907887 347370930 /nfs/dbraw/zinc/37/09/30/347370930.db2.gz CIAIJPUBLGATKU-CQSZACIVSA-N 1 1 264.413 3.065 20 30 CGEDMO C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C[C@@H]1CC1(C)C ZINC000595911373 347371956 /nfs/dbraw/zinc/37/19/56/347371956.db2.gz FXHVWILPFXBGRP-AWEZNQCLSA-N 1 1 296.374 3.086 20 30 CGEDMO C[C@H]1C[N@@H+](CCCCC(C)(C)C#N)C[C@](C)(C(F)F)O1 ZINC000595917426 347372613 /nfs/dbraw/zinc/37/26/13/347372613.db2.gz MIBKGGZOKXBNDX-SWLSCSKDSA-N 1 1 288.382 3.451 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC2CC1(C)C2 ZINC000595914534 347372624 /nfs/dbraw/zinc/37/26/24/347372624.db2.gz BKYKOENOICEDGX-UHFFFAOYSA-N 1 1 254.377 3.472 20 30 CGEDMO Cc1cc(CNC[C@@H]2CCC[N@H+](CC3CC3)C2)ccc1C#N ZINC000596058900 347378169 /nfs/dbraw/zinc/37/81/69/347378169.db2.gz LFIBSNDNNQDEDF-SFHVURJKSA-N 1 1 297.446 3.078 20 30 CGEDMO Cc1cc(CNC[C@@H]2CCC[N@@H+](CC3CC3)C2)ccc1C#N ZINC000596058900 347378172 /nfs/dbraw/zinc/37/81/72/347378172.db2.gz LFIBSNDNNQDEDF-SFHVURJKSA-N 1 1 297.446 3.078 20 30 CGEDMO C[C@@H](NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cccc(C#N)c1 ZINC000596095905 347382407 /nfs/dbraw/zinc/38/24/07/347382407.db2.gz RBLSBUDVSVCQQM-CRAIPNDOSA-N 1 1 297.446 3.331 20 30 CGEDMO C[C@@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(C#N)c1 ZINC000596095905 347382412 /nfs/dbraw/zinc/38/24/12/347382412.db2.gz RBLSBUDVSVCQQM-CRAIPNDOSA-N 1 1 297.446 3.331 20 30 CGEDMO N#Cc1ccc(C(F)(F)F)c(N[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000596091043 347382647 /nfs/dbraw/zinc/38/26/47/347382647.db2.gz FXSXCHNSIDKVGC-NSHDSACASA-N 1 1 295.308 3.226 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596599222 347485742 /nfs/dbraw/zinc/48/57/42/347485742.db2.gz RIQPVLXVFHKRKG-CYBMUJFWSA-N 1 1 294.402 3.427 20 30 CGEDMO COc1c(C)cc(C[N@H+]2CCC[C@H](CC#N)C2)cc1C ZINC000597175051 347543988 /nfs/dbraw/zinc/54/39/88/347543988.db2.gz VABROIVJGOREBC-OAHLLOKOSA-N 1 1 272.392 3.438 20 30 CGEDMO CCn1c2ccccc2nc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000597174560 347544201 /nfs/dbraw/zinc/54/42/01/347544201.db2.gz QXNRQJXBODAIIX-AWEZNQCLSA-N 1 1 282.391 3.182 20 30 CGEDMO CCn1c2ccccc2nc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000597174560 347544205 /nfs/dbraw/zinc/54/42/05/347544205.db2.gz QXNRQJXBODAIIX-AWEZNQCLSA-N 1 1 282.391 3.182 20 30 CGEDMO C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)C[C@@H]1CCCCO1 ZINC000597000157 347526653 /nfs/dbraw/zinc/52/66/53/347526653.db2.gz JCONZFUFYDJTQR-KRWDZBQOSA-N 1 1 284.403 3.243 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CC(C)(C)O1 ZINC000597001658 347526762 /nfs/dbraw/zinc/52/67/62/347526762.db2.gz ZFRUIRCJSBUZNG-CQSZACIVSA-N 1 1 284.403 3.241 20 30 CGEDMO CC(C)C[C@H]1COCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597015075 347527197 /nfs/dbraw/zinc/52/71/97/347527197.db2.gz IQWYBVHITXMILP-SFHVURJKSA-N 1 1 298.430 3.489 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000597177907 347545177 /nfs/dbraw/zinc/54/51/77/347545177.db2.gz SAPNHBQTWZMNTI-GXTWGEPZSA-N 1 1 291.420 3.120 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000597177907 347545180 /nfs/dbraw/zinc/54/51/80/347545180.db2.gz SAPNHBQTWZMNTI-GXTWGEPZSA-N 1 1 291.420 3.120 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@H]1F ZINC000597076472 347532942 /nfs/dbraw/zinc/53/29/42/347532942.db2.gz OKTRKLIOQGBNFC-CZUORRHYSA-N 1 1 272.367 3.422 20 30 CGEDMO CC(C)Cc1ncc(C[N@@H+]2CCC[C@H](CC#N)C2)s1 ZINC000597178207 347545479 /nfs/dbraw/zinc/54/54/79/347545479.db2.gz WLHQMVMNUNDGEH-CYBMUJFWSA-N 1 1 277.437 3.467 20 30 CGEDMO CC(C)Cc1ncc(C[N@H+]2CCC[C@H](CC#N)C2)s1 ZINC000597178207 347545482 /nfs/dbraw/zinc/54/54/82/347545482.db2.gz WLHQMVMNUNDGEH-CYBMUJFWSA-N 1 1 277.437 3.467 20 30 CGEDMO CC[C@]1(C)C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000597111853 347536313 /nfs/dbraw/zinc/53/63/13/347536313.db2.gz VCXQYSLRVAEIKZ-QGZVFWFLSA-N 1 1 284.403 3.243 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1CCOC1 ZINC000597133691 347539018 /nfs/dbraw/zinc/53/90/18/347539018.db2.gz XROWLVYTHKXHRX-QGZVFWFLSA-N 1 1 284.403 3.241 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000597173337 347543270 /nfs/dbraw/zinc/54/32/70/347543270.db2.gz JBUDIFHGWDKNOA-AWEZNQCLSA-N 1 1 298.365 3.137 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CCOC(C3CC3)(C3CC3)C2)c1 ZINC000597226238 347557883 /nfs/dbraw/zinc/55/78/83/347557883.db2.gz JTOOCVHDJKHDHO-UHFFFAOYSA-N 1 1 288.416 3.011 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)c1 ZINC000597226238 347557886 /nfs/dbraw/zinc/55/78/86/347557886.db2.gz JTOOCVHDJKHDHO-UHFFFAOYSA-N 1 1 288.416 3.011 20 30 CGEDMO C[C@@H](CCc1ccccc1)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000597232035 347559930 /nfs/dbraw/zinc/55/99/30/347559930.db2.gz RCCPQUAVGLPXHT-DOTOQJQBSA-N 1 1 256.393 3.491 20 30 CGEDMO COCc1ccccc1/C=C(\C)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000597233189 347560222 /nfs/dbraw/zinc/56/02/22/347560222.db2.gz ZVXYYEBRIWQWIH-SPQRHKFCSA-N 1 1 284.403 3.472 20 30 CGEDMO COCc1ccccc1/C=C(\C)C[N@H+]1CC[C@](C)(C#N)C1 ZINC000597233189 347560224 /nfs/dbraw/zinc/56/02/24/347560224.db2.gz ZVXYYEBRIWQWIH-SPQRHKFCSA-N 1 1 284.403 3.472 20 30 CGEDMO N#CCC1C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000597194467 347548934 /nfs/dbraw/zinc/54/89/34/347548934.db2.gz UAGNLOLLWSXYJE-UHFFFAOYSA-N 1 1 297.314 3.200 20 30 CGEDMO C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000599071796 347713798 /nfs/dbraw/zinc/71/37/98/347713798.db2.gz TXKJMLASHPEZPS-APWZRJJASA-N 1 1 297.446 3.257 20 30 CGEDMO C[N@@H+]1CCCC[C@H](CN[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000599071796 347713799 /nfs/dbraw/zinc/71/37/99/347713799.db2.gz TXKJMLASHPEZPS-APWZRJJASA-N 1 1 297.446 3.257 20 30 CGEDMO C[N@H+]1CCCC[C@H](CN[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000599071796 347713802 /nfs/dbraw/zinc/71/38/02/347713802.db2.gz TXKJMLASHPEZPS-APWZRJJASA-N 1 1 297.446 3.257 20 30 CGEDMO C[N@H+](Cc1ccc(Cl)cc1)C[C@H](O)CC(C)(C)C#N ZINC000598586830 347666814 /nfs/dbraw/zinc/66/68/14/347666814.db2.gz DZGPFVNWWKDGOL-CQSZACIVSA-N 1 1 280.799 3.073 20 30 CGEDMO C[C@@H](c1cccs1)[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598586425 347667015 /nfs/dbraw/zinc/66/70/15/347667015.db2.gz UPXGEFMIPUWWMH-NWDGAFQWSA-N 1 1 266.410 3.042 20 30 CGEDMO CCCCC[C@@H]1CCC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598593053 347668503 /nfs/dbraw/zinc/66/85/03/347668503.db2.gz OOIRCYJVDPNIFC-HUUCEWRRSA-N 1 1 266.429 3.332 20 30 CGEDMO C[C@@H]1c2c(F)cccc2CC[N@@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598593570 347668661 /nfs/dbraw/zinc/66/86/61/347668661.db2.gz UYNMLBFHMBDQRW-TZMCWYRMSA-N 1 1 290.382 3.046 20 30 CGEDMO C=CC[C@@H]1[N@@H+](C[C@@H](O)CC(C)(C)C#N)CCCC1(C)C ZINC000598615390 347671278 /nfs/dbraw/zinc/67/12/78/347671278.db2.gz XYLFOIDHEWNUMR-GJZGRUSLSA-N 1 1 278.440 3.354 20 30 CGEDMO Cc1ccc(C[N@@H+](C)C[C@H](O)CC(C)(C)C#N)cc1C ZINC000598621009 347672340 /nfs/dbraw/zinc/67/23/40/347672340.db2.gz QVDFJUDOZNQFDG-MRXNPFEDSA-N 1 1 274.408 3.036 20 30 CGEDMO Cc1ncsc1CC[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678685 347764930 /nfs/dbraw/zinc/76/49/30/347764930.db2.gz KYXJMCRSNSTCMK-UHFFFAOYSA-N 1 1 297.427 3.118 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@@H]2CCc3ccc(F)cc32)o1 ZINC000537300685 288523088 /nfs/dbraw/zinc/52/30/88/288523088.db2.gz XQNVVHXOSCAKMB-OAHLLOKOSA-N 1 1 256.280 3.067 20 30 CGEDMO CC[N@@H+](CCCCC(=O)OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000599270250 347730812 /nfs/dbraw/zinc/73/08/12/347730812.db2.gz DVBBSLTYJMJEOL-AWEZNQCLSA-N 1 1 288.391 3.284 20 30 CGEDMO CC[N@@H+](Cc1ccoc1)Cc1ccc(C)c(C#N)c1 ZINC000599282126 347731532 /nfs/dbraw/zinc/73/15/32/347731532.db2.gz NJHPIJGSZXHUSK-UHFFFAOYSA-N 1 1 254.333 3.482 20 30 CGEDMO Cc1ccc(C[NH+]2CCN(c3cccs3)CC2)cc1C#N ZINC000599311830 347734118 /nfs/dbraw/zinc/73/41/18/347734118.db2.gz LJJXYJQELMXXFG-UHFFFAOYSA-N 1 1 297.427 3.250 20 30 CGEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C)c(C#N)c2)cc1O ZINC000599316930 347735147 /nfs/dbraw/zinc/73/51/47/347735147.db2.gz ROANHJIPJUQYKC-UHFFFAOYSA-N 1 1 296.370 3.213 20 30 CGEDMO Cc1ccc(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)cc1C#N ZINC000599421732 347742925 /nfs/dbraw/zinc/74/29/25/347742925.db2.gz PCYRQUVRZXJQNY-DLBZAZTESA-N 1 1 284.403 3.256 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000599526301 347750635 /nfs/dbraw/zinc/75/06/35/347750635.db2.gz KCUKRSFHYDAKPQ-CQSZACIVSA-N 1 1 294.358 3.006 20 30 CGEDMO CC[N@@H+](Cc1ccc(OC)c(OC2CC2)c1)C[C@H](C)C#N ZINC000600113835 347780950 /nfs/dbraw/zinc/78/09/50/347780950.db2.gz WEWKGFKSCMAKHR-CYBMUJFWSA-N 1 1 288.391 3.218 20 30 CGEDMO CC[N@H+](Cc1ccc(OC)c(OC2CC2)c1)C[C@H](C)C#N ZINC000600113835 347780954 /nfs/dbraw/zinc/78/09/54/347780954.db2.gz WEWKGFKSCMAKHR-CYBMUJFWSA-N 1 1 288.391 3.218 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599640267 347761401 /nfs/dbraw/zinc/76/14/01/347761401.db2.gz SWLPDRXVRKECMF-QFBILLFUSA-N 1 1 298.430 3.082 20 30 CGEDMO N#Cc1c(F)cccc1C[NH2+]Cc1cccc2c1CCOC2 ZINC000602016385 347933209 /nfs/dbraw/zinc/93/32/09/347933209.db2.gz DYFIVVNUUGWDBJ-UHFFFAOYSA-N 1 1 296.345 3.060 20 30 CGEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cccc(C#N)n2)cc1 ZINC000602425636 347955926 /nfs/dbraw/zinc/95/59/26/347955926.db2.gz SDGKVHZWAOIYJC-SFHVURJKSA-N 1 1 293.370 3.299 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000602430182 347956298 /nfs/dbraw/zinc/95/62/98/347956298.db2.gz IVMZGBFGTJNTLB-GJZGRUSLSA-N 1 1 297.406 3.200 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]2C2CCCCC2)n1 ZINC000602437922 347958351 /nfs/dbraw/zinc/95/83/51/347958351.db2.gz AJNBMNKQIVRBMV-KRWDZBQOSA-N 1 1 269.392 3.498 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]2c2cccc(F)c2)n1 ZINC000602441781 347958788 /nfs/dbraw/zinc/95/87/88/347958788.db2.gz WBLQCLYFWMHZIT-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)n1 ZINC000602441781 347958791 /nfs/dbraw/zinc/95/87/91/347958791.db2.gz WBLQCLYFWMHZIT-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO Cc1ccccc1OCCC[N@H+](C)Cc1cccc(C#N)n1 ZINC000602448536 347960444 /nfs/dbraw/zinc/96/04/44/347960444.db2.gz LLUIZTBVRKFERX-UHFFFAOYSA-N 1 1 295.386 3.163 20 30 CGEDMO C[C@H](CCC#N)CN1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000602456589 347960854 /nfs/dbraw/zinc/96/08/54/347960854.db2.gz ZTYAICKUTVMVOA-NCOADZHNSA-N 1 1 277.456 3.263 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+]1CCC[C@H](N2[C@H](C)CC[C@@H]2C)C1 ZINC000602456589 347960855 /nfs/dbraw/zinc/96/08/55/347960855.db2.gz ZTYAICKUTVMVOA-NCOADZHNSA-N 1 1 277.456 3.263 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H](N2[C@H](C)CC[C@@H]2C)C1 ZINC000602456589 347960858 /nfs/dbraw/zinc/96/08/58/347960858.db2.gz ZTYAICKUTVMVOA-NCOADZHNSA-N 1 1 277.456 3.263 20 30 CGEDMO C[C@H](Cc1ccc(O)cc1)[N@H+](C)C[C@@H](C)CCC#N ZINC000602467922 347962863 /nfs/dbraw/zinc/96/28/63/347962863.db2.gz LAWGDOIUTZNECL-UONOGXRCSA-N 1 1 260.381 3.195 20 30 CGEDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cccc(C#N)n1 ZINC000602473708 347963770 /nfs/dbraw/zinc/96/37/70/347963770.db2.gz ORIKFKGEYHZPKH-IOASZLSFSA-N 1 1 255.365 3.106 20 30 CGEDMO N#Cc1cccc(C[N@H+](CCc2cccc(F)c2)C2CC2)n1 ZINC000602472195 347963930 /nfs/dbraw/zinc/96/39/30/347963930.db2.gz OZNLGYBIFBHHKF-UHFFFAOYSA-N 1 1 295.361 3.299 20 30 CGEDMO CCO[C@@H]1C[C@H]([N@@H+](C)C[C@@H](C)CCC#N)C1(C)C ZINC000602474361 347965154 /nfs/dbraw/zinc/96/51/54/347965154.db2.gz UWTDIILJPQDOCX-MELADBBJSA-N 1 1 252.402 3.062 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C)CCOCc1ccccc1 ZINC000602483965 347967028 /nfs/dbraw/zinc/96/70/28/347967028.db2.gz KNGMKELTBDHDDR-HNNXBMFYSA-N 1 1 260.381 3.075 20 30 CGEDMO C[C@H](C#N)CN[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602607472 347993163 /nfs/dbraw/zinc/99/31/63/347993163.db2.gz LBCGKHVMNNVYRB-KYJSFNMBSA-N 1 1 283.419 3.104 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000602614035 347994587 /nfs/dbraw/zinc/99/45/87/347994587.db2.gz AUJBBSRDTFNHQB-QAPCUYQASA-N 1 1 286.419 3.199 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+]1CCSC[C@H]1c1nccs1 ZINC000602614728 347994655 /nfs/dbraw/zinc/99/46/55/347994655.db2.gz GQUBUYFHSBJMQL-RYUDHWBXSA-N 1 1 281.450 3.173 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCSC[C@H]1c1nccs1 ZINC000602614728 347994656 /nfs/dbraw/zinc/99/46/56/347994656.db2.gz GQUBUYFHSBJMQL-RYUDHWBXSA-N 1 1 281.450 3.173 20 30 CGEDMO Cc1ccc(C)c(C[N@@H+](C)Cc2cccc(C#N)n2)c1 ZINC000602634841 347997572 /nfs/dbraw/zinc/99/75/72/347997572.db2.gz BJYNRCRHUZCTAZ-UHFFFAOYSA-N 1 1 265.360 3.202 20 30 CGEDMO COC(=O)[C@@H](CC1CCCCC1)[NH2+]C[C@@H](C)CCC#N ZINC000602634709 347997659 /nfs/dbraw/zinc/99/76/59/347997659.db2.gz OHQKAQAVZYVHFO-DZGCQCFKSA-N 1 1 280.412 3.028 20 30 CGEDMO Cn1cccc1[C@@H]1CCCC[N@H+]1CC1(CC#N)CC1 ZINC000602785862 348028478 /nfs/dbraw/zinc/02/84/78/348028478.db2.gz WIFMPBHYPGWJDA-HNNXBMFYSA-N 1 1 257.381 3.246 20 30 CGEDMO N#CCC1(C[N@H+]2CCSC[C@H]2c2ccccc2)CC1 ZINC000602783514 348028599 /nfs/dbraw/zinc/02/85/99/348028599.db2.gz QKPIXDRQVUZSSE-HNNXBMFYSA-N 1 1 272.417 3.470 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C)Cc1nc(-c2cccs2)no1 ZINC000602651583 348001182 /nfs/dbraw/zinc/00/11/82/348001182.db2.gz SUDYZPMZRXPJEN-NSHDSACASA-N 1 1 290.392 3.170 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](CCN(C)C)Cc1cccc(F)c1 ZINC000602655240 348001976 /nfs/dbraw/zinc/00/19/76/348001976.db2.gz GEGZUMSVZOZGBL-OAHLLOKOSA-N 1 1 291.414 3.129 20 30 CGEDMO C[C@H](CCC#N)CN(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000602655240 348001977 /nfs/dbraw/zinc/00/19/77/348001977.db2.gz GEGZUMSVZOZGBL-OAHLLOKOSA-N 1 1 291.414 3.129 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000602660286 348003406 /nfs/dbraw/zinc/00/34/06/348003406.db2.gz BKNNRJXILPFWRC-CQSZACIVSA-N 1 1 298.390 3.151 20 30 CGEDMO COc1cc2c(cc1OC)[C@@H]([N@H+](C)CC(C)(C)C#N)CC2 ZINC000602673921 348006492 /nfs/dbraw/zinc/00/64/92/348006492.db2.gz DLGCVRNJYGINGF-AWEZNQCLSA-N 1 1 288.391 3.173 20 30 CGEDMO COc1cc2c(cc1OC)[C@@H]([N@@H+](C)CC(C)(C)C#N)CC2 ZINC000602673921 348006493 /nfs/dbraw/zinc/00/64/93/348006493.db2.gz DLGCVRNJYGINGF-AWEZNQCLSA-N 1 1 288.391 3.173 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000602688337 348009663 /nfs/dbraw/zinc/00/96/63/348009663.db2.gz AZHWKFWNBOQWJG-IAGOWNOFSA-N 1 1 285.435 3.133 20 30 CGEDMO CC[N@@H+](C[C@@H]1CCO[C@@H]1C)[C@H](C)c1ccc(C#N)cc1 ZINC000602762309 348024564 /nfs/dbraw/zinc/02/45/64/348024564.db2.gz FXJWLPFQJHRLLN-CPUCHLNUSA-N 1 1 272.392 3.366 20 30 CGEDMO Cc1ccccc1[C@@H]1CC[N@@H+](CC2(CC#N)CC2)C1 ZINC000602772547 348026300 /nfs/dbraw/zinc/02/63/00/348026300.db2.gz SPTLCPKAYXZVGD-OAHLLOKOSA-N 1 1 254.377 3.478 20 30 CGEDMO C[C@@H]1C[C@H](Nc2cccc(-n3cccc3)c2C#N)CC[N@H+]1C ZINC000603298940 348069166 /nfs/dbraw/zinc/06/91/66/348069166.db2.gz ZQAUWDGJDONABO-HUUCEWRRSA-N 1 1 294.402 3.244 20 30 CGEDMO CCC1(CC)C[N@@H+](CC2(CC#N)CC2)CCS1 ZINC000602812456 348033347 /nfs/dbraw/zinc/03/33/47/348033347.db2.gz XORHKBXBRTZBSU-UHFFFAOYSA-N 1 1 252.427 3.288 20 30 CGEDMO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1CC1(CC#N)CC1 ZINC000602846094 348036216 /nfs/dbraw/zinc/03/62/16/348036216.db2.gz LSIFCLKIXBUUIO-KBPBESRZSA-N 1 1 292.423 3.122 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CC(C)(C)CO1 ZINC000602844668 348036370 /nfs/dbraw/zinc/03/63/70/348036370.db2.gz FUBKMIJYKZYYBH-CJNGLKHVSA-N 1 1 272.392 3.366 20 30 CGEDMO CCCC[C@H](CC)C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602855158 348037409 /nfs/dbraw/zinc/03/74/09/348037409.db2.gz SPQVLZIPAJYGCP-XHSDSOJGSA-N 1 1 265.445 3.121 20 30 CGEDMO C=CC[N@@H+](CC1CCCCC1)CC1CCOCC1 ZINC000602874187 348039233 /nfs/dbraw/zinc/03/92/33/348039233.db2.gz QNKGWZMJKAZCGQ-UHFFFAOYSA-N 1 1 251.414 3.481 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000602886090 348041049 /nfs/dbraw/zinc/04/10/49/348041049.db2.gz GNTVMZRLGFKZDO-DZGCQCFKSA-N 1 1 280.375 3.111 20 30 CGEDMO C[N@@H+](CCCOc1ccccc1)[C@@H]1CCC[C@H]1C#N ZINC000602975564 348048487 /nfs/dbraw/zinc/04/84/87/348048487.db2.gz CYFLEVWNAUDSSZ-GOEBONIOSA-N 1 1 258.365 3.080 20 30 CGEDMO C[N@H+](CCOc1ccccc1Cl)[C@@H]1CCC[C@@H]1C#N ZINC000602976983 348049503 /nfs/dbraw/zinc/04/95/03/348049503.db2.gz VYPBUNWOUINFBX-TZMCWYRMSA-N 1 1 278.783 3.343 20 30 CGEDMO C[N@@H+](CCOc1ccccc1Cl)[C@@H]1CCC[C@@H]1C#N ZINC000602976983 348049505 /nfs/dbraw/zinc/04/95/05/348049505.db2.gz VYPBUNWOUINFBX-TZMCWYRMSA-N 1 1 278.783 3.343 20 30 CGEDMO COc1cccc(CCC[N@@H+](C)[C@H]2CCC[C@@H]2C#N)c1 ZINC000602978885 348050333 /nfs/dbraw/zinc/05/03/33/348050333.db2.gz XVQVKWCCONILEO-WBVHZDCISA-N 1 1 272.392 3.252 20 30 CGEDMO COc1cccc(CCC[N@@H+](C)[C@H]2CCC[C@H]2C#N)c1 ZINC000602978884 348050398 /nfs/dbraw/zinc/05/03/98/348050398.db2.gz XVQVKWCCONILEO-RDJZCZTQSA-N 1 1 272.392 3.252 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)c1 ZINC000603834974 348097251 /nfs/dbraw/zinc/09/72/51/348097251.db2.gz ZXCSLXHTETZTBV-CQSZACIVSA-N 1 1 298.308 3.102 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)c1 ZINC000603834974 348097253 /nfs/dbraw/zinc/09/72/53/348097253.db2.gz ZXCSLXHTETZTBV-CQSZACIVSA-N 1 1 298.308 3.102 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@@H]1O ZINC000351944299 219259028 /nfs/dbraw/zinc/25/90/28/219259028.db2.gz KLMOLNVSYOHXKA-KUHUBIRLSA-N 1 1 292.382 3.038 20 30 CGEDMO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1cccc(C#N)c1 ZINC000610344889 348376981 /nfs/dbraw/zinc/37/69/81/348376981.db2.gz KQUGWYXSUXWEAT-JTQLQIEISA-N 1 1 287.344 3.379 20 30 CGEDMO N#CCSCCC[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000610412571 348382398 /nfs/dbraw/zinc/38/23/98/348382398.db2.gz SBQJLKYBXZADBV-OAHLLOKOSA-N 1 1 276.405 3.176 20 30 CGEDMO C[C@@H]1c2ccccc2OCC[N@@H+]1CCCSCC#N ZINC000610412588 348382407 /nfs/dbraw/zinc/38/24/07/348382407.db2.gz AUUSDYBMXOHVTG-CYBMUJFWSA-N 1 1 276.405 3.089 20 30 CGEDMO CC[N@@H+](Cc1ccnc(C#N)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000610991599 348413654 /nfs/dbraw/zinc/41/36/54/348413654.db2.gz OCOBNHYYBFLKIY-AWEZNQCLSA-N 1 1 290.370 3.408 20 30 CGEDMO N#Cc1cc(C[N@H+](CCc2cccc(F)c2)C2CC2)ccn1 ZINC000610993423 348415951 /nfs/dbraw/zinc/41/59/51/348415951.db2.gz QXRCBDXWEOVIJH-UHFFFAOYSA-N 1 1 295.361 3.299 20 30 CGEDMO Cc1cc(C[N@H+]2CC(C)(C)[C@H]2[C@@H]2CCCO2)ccc1C#N ZINC000351968478 219268435 /nfs/dbraw/zinc/26/84/35/219268435.db2.gz QSGAROBIFXTZQV-DLBZAZTESA-N 1 1 284.403 3.256 20 30 CGEDMO C[C@@H](Nc1cc[nH+]cc1Cl)c1cccc(C#N)c1 ZINC000610541742 348389428 /nfs/dbraw/zinc/38/94/28/348389428.db2.gz GLINDTCZEAOLNI-SNVBAGLBSA-N 1 1 257.724 3.202 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)Cc1ccccc1-n1cncn1 ZINC000611268842 348433344 /nfs/dbraw/zinc/43/33/44/348433344.db2.gz BOAYGLHYBVVHMB-UHFFFAOYSA-N 1 1 297.406 3.029 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1ccccc1-n1cncn1 ZINC000611268842 348433348 /nfs/dbraw/zinc/43/33/48/348433348.db2.gz BOAYGLHYBVVHMB-UHFFFAOYSA-N 1 1 297.406 3.029 20 30 CGEDMO CC[N@@H+](C)Cc1cccc(CNc2nc(C#N)ccc2C)c1 ZINC000611399447 348446918 /nfs/dbraw/zinc/44/69/18/348446918.db2.gz PLXMTZBQZCBXMB-UHFFFAOYSA-N 1 1 294.402 3.326 20 30 CGEDMO C[C@@H](C#N)C[N@H+](Cc1cccc2cnccc21)C1CC1 ZINC000611960582 348482928 /nfs/dbraw/zinc/48/29/28/348482928.db2.gz RVUWUUUIUMUERK-ZDUSSCGKSA-N 1 1 265.360 3.359 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](Cc1cccc2cnccc21)C1CC1 ZINC000611960582 348482931 /nfs/dbraw/zinc/48/29/31/348482931.db2.gz RVUWUUUIUMUERK-ZDUSSCGKSA-N 1 1 265.360 3.359 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC000612406087 348516898 /nfs/dbraw/zinc/51/68/98/348516898.db2.gz IBYDFVZBWAADKI-INIZCTEOSA-N 1 1 253.349 3.294 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000612406563 348517405 /nfs/dbraw/zinc/51/74/05/348517405.db2.gz PVLSDZYBWXQWNP-PBHICJAKSA-N 1 1 270.376 3.178 20 30 CGEDMO CC[C@@H]([NH2+]Cc1ccccc1C#N)c1c(C)nn(C)c1C ZINC000339499860 215212327 /nfs/dbraw/zinc/21/23/27/215212327.db2.gz JDXWCZOHMOITPM-MRXNPFEDSA-N 1 1 282.391 3.150 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CCS1 ZINC000614164539 348653260 /nfs/dbraw/zinc/65/32/60/348653260.db2.gz GUPAGDNMRDUKEN-CYBMUJFWSA-N 1 1 274.433 3.425 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](CCC(=O)OCC)C1 ZINC000614176128 348655512 /nfs/dbraw/zinc/65/55/12/348655512.db2.gz IJDVTIRPLBDHBA-AWEZNQCLSA-N 1 1 253.386 3.008 20 30 CGEDMO CO[C@]1(C(F)(F)F)CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000615141415 348717783 /nfs/dbraw/zinc/71/77/83/348717783.db2.gz WZJYKFYGYIPXRU-CYBMUJFWSA-N 1 1 292.345 3.360 20 30 CGEDMO CCC[N@H+](CCN(CC)CC)Cc1ccc(C#N)cc1C ZINC000614405954 348674790 /nfs/dbraw/zinc/67/47/90/348674790.db2.gz JTVOZKZRYJKGGK-UHFFFAOYSA-N 1 1 287.451 3.421 20 30 CGEDMO CCC[N@@H+](CCN(CC)CC)Cc1ccc(C#N)cc1C ZINC000614405954 348674793 /nfs/dbraw/zinc/67/47/93/348674793.db2.gz JTVOZKZRYJKGGK-UHFFFAOYSA-N 1 1 287.451 3.421 20 30 CGEDMO CC[C@H](N[C@H]1CC[N@H+](CC2CC2)C1)c1ccc(C#N)cc1 ZINC000618568470 349107484 /nfs/dbraw/zinc/10/74/84/349107484.db2.gz WFLNRPWLOVZDIV-ROUUACIJSA-N 1 1 283.419 3.083 20 30 CGEDMO CC[C@H](N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccc(C#N)cc1 ZINC000618568470 349107486 /nfs/dbraw/zinc/10/74/86/349107486.db2.gz WFLNRPWLOVZDIV-ROUUACIJSA-N 1 1 283.419 3.083 20 30 CGEDMO COCC[N@@H+](CCC#N)CCCc1c(F)cccc1Cl ZINC000618593632 349116110 /nfs/dbraw/zinc/11/61/10/349116110.db2.gz HVEMNCPVKUYUPW-UHFFFAOYSA-N 1 1 298.789 3.274 20 30 CGEDMO COCC[N@H+](CCC#N)CCCc1c(F)cccc1Cl ZINC000618593632 349116112 /nfs/dbraw/zinc/11/61/12/349116112.db2.gz HVEMNCPVKUYUPW-UHFFFAOYSA-N 1 1 298.789 3.274 20 30 CGEDMO C[N@@H+]1CC=C(CNc2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000273970611 192384286 /nfs/dbraw/zinc/38/42/86/192384286.db2.gz PFORPYULOIZBOA-UHFFFAOYSA-N 1 1 295.308 3.251 20 30 CGEDMO N#Cc1ccc2c(c1)CC[C@@H]2Nc1cc[nH+]cc1Cl ZINC000618694012 349145274 /nfs/dbraw/zinc/14/52/74/349145274.db2.gz WSSXOGRYYIUGCY-AWEZNQCLSA-N 1 1 269.735 3.128 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)cn2)[C@H]1c1ccccc1 ZINC000618904944 349177559 /nfs/dbraw/zinc/17/75/59/349177559.db2.gz NSMYYVQCJMQTPH-CXAGYDPISA-N 1 1 263.344 3.146 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)[C@H]1c1ccccc1 ZINC000618904944 349177563 /nfs/dbraw/zinc/17/75/63/349177563.db2.gz NSMYYVQCJMQTPH-CXAGYDPISA-N 1 1 263.344 3.146 20 30 CGEDMO C[C@@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1nccs1 ZINC000618801333 349155432 /nfs/dbraw/zinc/15/54/32/349155432.db2.gz ACQNNNZIMMPDJT-QMTHXVAHSA-N 1 1 269.373 3.353 20 30 CGEDMO C=CC1CC[NH+](CC(=O)c2c[nH]c3ccc(F)cc32)CC1 ZINC000625159411 350134164 /nfs/dbraw/zinc/13/41/64/350134164.db2.gz TUOJXEBKJPOROL-UHFFFAOYSA-N 1 1 286.350 3.388 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2nc(Cc3ccccc3C)no2)C1 ZINC000625699580 350197602 /nfs/dbraw/zinc/19/76/02/350197602.db2.gz AQZYUPVEEDXRFL-OAHLLOKOSA-N 1 1 297.402 3.367 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](CCCOCc2ccccc2)C1 ZINC000625700955 350198974 /nfs/dbraw/zinc/19/89/74/350198974.db2.gz FXMLDLZXNNKANV-INIZCTEOSA-N 1 1 259.393 3.491 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cc(CO)ccc2F)C1 ZINC000625535130 350182321 /nfs/dbraw/zinc/18/23/21/350182321.db2.gz KGRUDGDJAWAQHU-CYBMUJFWSA-N 1 1 263.356 3.106 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2nc(-c3ccc(OC)cc3)no2)C1 ZINC000625705156 350200732 /nfs/dbraw/zinc/20/07/32/350200732.db2.gz XQZHVRLDNMRPSY-CYBMUJFWSA-N 1 1 299.374 3.143 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cc(OC(C)C)ccn2)C1 ZINC000625704110 350201211 /nfs/dbraw/zinc/20/12/11/350201211.db2.gz VQNPTTBVBZDNJR-AWEZNQCLSA-N 1 1 260.381 3.267 20 30 CGEDMO C=CC[C@@H]1CCN(C(=O)Nc2cc(C)c3[nH+]ccn3c2)C1 ZINC000626573252 350320240 /nfs/dbraw/zinc/32/02/40/350320240.db2.gz RAYWUNAKBDIGQN-CYBMUJFWSA-N 1 1 284.363 3.073 20 30 CGEDMO C=CCCC[N@@H+](C)Cc1ncc(Br)cc1F ZINC000628180128 350425159 /nfs/dbraw/zinc/42/51/59/350425159.db2.gz CMCMYQQWYBUZKZ-UHFFFAOYSA-N 1 1 287.176 3.381 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ncc(Br)cc1F ZINC000628180128 350425160 /nfs/dbraw/zinc/42/51/60/350425160.db2.gz CMCMYQQWYBUZKZ-UHFFFAOYSA-N 1 1 287.176 3.381 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@]1(C)CCCS1 ZINC000628272756 350473658 /nfs/dbraw/zinc/47/36/58/350473658.db2.gz XRVYXLZSPQSBQJ-MRXNPFEDSA-N 1 1 295.448 3.436 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(O[C@H](C)COC)cc2)C1 ZINC000628406708 350529716 /nfs/dbraw/zinc/52/97/16/350529716.db2.gz PCNFWBMVEPTQPM-CVEARBPZSA-N 1 1 289.419 3.498 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000628405861 350530144 /nfs/dbraw/zinc/53/01/44/350530144.db2.gz WIVDXJUSRHBSLC-AWEZNQCLSA-N 1 1 267.376 3.475 20 30 CGEDMO C=CCn1cc(C[NH2+]C/C=C/c2cc(C)c(C)cc2C)nn1 ZINC000631163788 350975378 /nfs/dbraw/zinc/97/53/78/350975378.db2.gz UVNBYXZBKFSZHN-VOTSOKGWSA-N 1 1 296.418 3.192 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000633084069 351242008 /nfs/dbraw/zinc/24/20/08/351242008.db2.gz ZQVITVKOWMMAKN-OAHLLOKOSA-N 1 1 295.471 3.008 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000632368401 351195176 /nfs/dbraw/zinc/19/51/76/351195176.db2.gz HCECRTHWUNPSQL-GJZGRUSLSA-N 1 1 290.451 3.112 20 30 CGEDMO N#Cc1ccc(CN2C[C@@H]3CCC[N@H+]3Cc3ccccc32)o1 ZINC000291455498 198027184 /nfs/dbraw/zinc/02/71/84/198027184.db2.gz CUNZQWJHBGLNAU-HNNXBMFYSA-N 1 1 293.370 3.136 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000271504979 191181328 /nfs/dbraw/zinc/18/13/28/191181328.db2.gz NSOMCHCDIKZHEO-ZDUSSCGKSA-N 1 1 275.783 3.335 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](Cc3ccccc3)C2)o1 ZINC000155089158 188181428 /nfs/dbraw/zinc/18/14/28/188181428.db2.gz OGFFQBPFLXHYTI-OAHLLOKOSA-N 1 1 266.344 3.216 20 30 CGEDMO CC[C@]1(C)CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000156583447 188270806 /nfs/dbraw/zinc/27/08/06/188270806.db2.gz YLYUFDYNPXAJDG-DLBZAZTESA-N 1 1 272.392 3.104 20 30 CGEDMO N#Cc1cccc(Cl)c1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000369672399 234392597 /nfs/dbraw/zinc/39/25/97/234392597.db2.gz NLANBIHTBNRNQM-OLZOCXBDSA-N 1 1 275.783 3.250 20 30 CGEDMO N#CC1CCC(C[NH2+][C@H]2C[C@H](N)c3ccccc32)CC1 ZINC000335024160 283050002 /nfs/dbraw/zinc/05/00/02/283050002.db2.gz XBJHWKYWWFZPHC-SMELUJQZSA-N 1 1 269.392 3.051 20 30 CGEDMO C[C@H]1CC(C)(C)C[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000412047784 235116030 /nfs/dbraw/zinc/11/60/30/235116030.db2.gz TXUNCQGHMZAIGZ-ZDUSSCGKSA-N 1 1 285.391 3.007 20 30 CGEDMO C[C@H]1CCC[N@@H+](CCCCNc2ncc(C#N)cc2F)C1 ZINC000413069495 235248619 /nfs/dbraw/zinc/24/86/19/235248619.db2.gz YHQQOZSINUNAFZ-ZDUSSCGKSA-N 1 1 290.386 3.016 20 30 CGEDMO N#Cc1cc(F)ccc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000269431685 283099456 /nfs/dbraw/zinc/09/94/56/283099456.db2.gz PZDJIPVWPYCFDD-SCLBCKFNSA-N 1 1 299.393 3.150 20 30 CGEDMO Cc1ncccc1C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425368712 236239786 /nfs/dbraw/zinc/23/97/86/236239786.db2.gz XPDZVVLYRKZMLP-CQSZACIVSA-N 1 1 265.360 3.455 20 30 CGEDMO Cc1cc(NCCCC[N@@H+]2CCCC[C@@H]2C)cc(C#N)n1 ZINC000341541033 216007382 /nfs/dbraw/zinc/00/73/82/216007382.db2.gz CIGRXAQSZSOHKQ-HNNXBMFYSA-N 1 1 286.423 3.328 20 30 CGEDMO CCC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000341605254 216031848 /nfs/dbraw/zinc/03/18/48/216031848.db2.gz GDJFEBPDVYNJQH-INIZCTEOSA-N 1 1 299.418 3.399 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](CC[C@H]3CCOC3)CC2)cc1 ZINC000438105637 237423649 /nfs/dbraw/zinc/42/36/49/237423649.db2.gz QILGLBOZHGFDRL-INIZCTEOSA-N 1 1 282.387 3.074 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000176918527 189014473 /nfs/dbraw/zinc/01/44/73/189014473.db2.gz LLVSGFBJZQSGMI-NEPJUHHUSA-N 1 1 271.813 3.389 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000176918527 189014474 /nfs/dbraw/zinc/01/44/74/189014474.db2.gz LLVSGFBJZQSGMI-NEPJUHHUSA-N 1 1 271.813 3.389 20 30 CGEDMO C[NH+](C)C[C@@H](NCc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000342223502 216268034 /nfs/dbraw/zinc/26/80/34/216268034.db2.gz HWBVLXKIQCQEEK-GOSISDBHSA-N 1 1 297.377 3.090 20 30 CGEDMO COc1cc(C[N@H+]2C[C@H](C)C[C@H](C)[C@H]2C)ccc1C#N ZINC000300194959 200887500 /nfs/dbraw/zinc/88/75/00/200887500.db2.gz DUEILJSFKWYEHJ-HZSPNIEDSA-N 1 1 272.392 3.433 20 30 CGEDMO CN(CC[C@@H]1CCCC[N@H+]1C)c1ccc(C#N)cc1F ZINC000301419731 201002718 /nfs/dbraw/zinc/00/27/18/201002718.db2.gz BTAPSSYSFXVXKQ-AWEZNQCLSA-N 1 1 275.371 3.008 20 30 CGEDMO Cc1ccc(C[N@H+](CCO)Cc2ccc(C#N)cc2F)cc1 ZINC000181979930 189311488 /nfs/dbraw/zinc/31/14/88/189311488.db2.gz YASHAKUTEANEBE-UHFFFAOYSA-N 1 1 298.361 3.000 20 30 CGEDMO Cc1ccc(C[N@@H+](CCO)Cc2ccc(C#N)cc2F)cc1 ZINC000181979930 189311489 /nfs/dbraw/zinc/31/14/89/189311489.db2.gz YASHAKUTEANEBE-UHFFFAOYSA-N 1 1 298.361 3.000 20 30 CGEDMO CC(C)[N@@H+](C)CCNc1ccc(C#N)cc1C(F)(F)F ZINC000301564929 201071911 /nfs/dbraw/zinc/07/19/11/201071911.db2.gz PQDMOSMSPGXUCY-UHFFFAOYSA-N 1 1 285.313 3.329 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2ccc(C#N)nc2)C1 ZINC000301555593 201067563 /nfs/dbraw/zinc/06/75/63/201067563.db2.gz ZPTQVJAVOPFVGK-GASCZTMLSA-N 1 1 286.423 3.123 20 30 CGEDMO Cc1nc(N[C@H](C)c2ccc(C#N)cc2)c(C)c(C)[nH+]1 ZINC000301685626 201138881 /nfs/dbraw/zinc/13/88/81/201138881.db2.gz LKMYVFLIDNKCIS-GFCCVEGCSA-N 1 1 266.348 3.447 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1csc(N(C)C2CC2)n1 ZINC000119772929 370708726 /nfs/dbraw/zinc/70/87/26/370708726.db2.gz XOSOTIJQYRDJNT-UHFFFAOYSA-N 1 1 265.426 3.140 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1csc(N(C)C2CC2)n1 ZINC000119772929 370708729 /nfs/dbraw/zinc/70/87/29/370708729.db2.gz XOSOTIJQYRDJNT-UHFFFAOYSA-N 1 1 265.426 3.140 20 30 CGEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cccc(C#N)c2)C1(C)C ZINC000120574083 370781528 /nfs/dbraw/zinc/78/15/28/370781528.db2.gz YKVXGTFHSSNLET-HOTGVXAUSA-N 1 1 272.392 3.194 20 30 CGEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)C1(C)C ZINC000120574239 370781878 /nfs/dbraw/zinc/78/18/78/370781878.db2.gz YKVXGTFHSSNLET-HZPDHXFCSA-N 1 1 272.392 3.194 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)Cc1cccc(OC(C)C)c1 ZINC000120662583 370788488 /nfs/dbraw/zinc/78/84/88/370788488.db2.gz QOVWYFRHHFGYSZ-INIZCTEOSA-N 1 1 277.408 3.233 20 30 CGEDMO C=CC[N@@H+](C)CC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000121253349 370845572 /nfs/dbraw/zinc/84/55/72/370845572.db2.gz DDBPNVDXGKJHGQ-AWEZNQCLSA-N 1 1 282.387 3.135 20 30 CGEDMO C=CC[N@H+](C)CC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000121253349 370845576 /nfs/dbraw/zinc/84/55/76/370845576.db2.gz DDBPNVDXGKJHGQ-AWEZNQCLSA-N 1 1 282.387 3.135 20 30 CGEDMO CC[C@H]1CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459307570 242063600 /nfs/dbraw/zinc/06/36/00/242063600.db2.gz OJDQTOZYWYUTAH-LBPRGKRZSA-N 1 1 273.336 3.088 20 30 CGEDMO CC[C@H]1CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459307570 242063604 /nfs/dbraw/zinc/06/36/04/242063604.db2.gz OJDQTOZYWYUTAH-LBPRGKRZSA-N 1 1 273.336 3.088 20 30 CGEDMO COC[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccc(C)o1 ZINC000353278343 220004664 /nfs/dbraw/zinc/00/46/64/220004664.db2.gz WUDHISJCHOAGSW-DLBZAZTESA-N 1 1 296.370 3.424 20 30 CGEDMO N#Cc1cccc(OCC[N@H+]2CC[C@H]2Cc2ccccc2)c1 ZINC000479100421 243092835 /nfs/dbraw/zinc/09/28/35/243092835.db2.gz LOWADNCCADIHRE-SFHVURJKSA-N 1 1 292.382 3.254 20 30 CGEDMO C[N@@H+](CCOc1ccc(C#N)cc1)[C@H]1CCC(C)(C)C1 ZINC000483098048 243259720 /nfs/dbraw/zinc/25/97/20/243259720.db2.gz BVYJVFUQLABDRG-HNNXBMFYSA-N 1 1 272.392 3.448 20 30 CGEDMO N#Cc1cccc(OCC[N@@H+](CC2CC2)CC2CCC2)c1 ZINC000483294278 243274274 /nfs/dbraw/zinc/27/42/74/243274274.db2.gz WODYLVGRPYNCAE-UHFFFAOYSA-N 1 1 284.403 3.449 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H]2C)cc1OC ZINC000124350046 370923651 /nfs/dbraw/zinc/92/36/51/370923651.db2.gz ZYDAZFNTFMKYCA-ZDUSSCGKSA-N 1 1 261.365 3.244 20 30 CGEDMO C=CCN(CC=C)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000127235944 370949695 /nfs/dbraw/zinc/94/96/95/370949695.db2.gz ZKWACFMRPNEQMR-UHFFFAOYSA-N 1 1 293.455 3.025 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)N(C)Cc1ccccc1C ZINC000125941548 370942864 /nfs/dbraw/zinc/94/28/64/370942864.db2.gz NPDJMZZQJKRKAF-INIZCTEOSA-N 1 1 288.435 3.240 20 30 CGEDMO COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@@H](C#N)CCC#N ZINC000024099440 368829428 /nfs/dbraw/zinc/82/94/28/368829428.db2.gz SOAFMYDZVVLROS-ZIAGYGMSSA-N 1 1 271.364 3.098 20 30 CGEDMO C[N@@H+](CCOc1ccc(C#N)cc1)Cc1ccccc1 ZINC000034651723 368976811 /nfs/dbraw/zinc/97/68/11/368976811.db2.gz COEVLPZIOTTYEG-UHFFFAOYSA-N 1 1 266.344 3.069 20 30 CGEDMO C[N@H+]1CCN(Cc2ccc(C#N)cc2)[C@H](c2ccccc2)C1 ZINC000034790054 368978046 /nfs/dbraw/zinc/97/80/46/368978046.db2.gz XRQURSBECIMJBC-IBGZPJMESA-N 1 1 291.398 3.047 20 30 CGEDMO C[C@H](NCC1([NH+](C)C)CCCCC1)c1cccc(C#N)c1 ZINC000037217010 369077492 /nfs/dbraw/zinc/07/74/92/369077492.db2.gz PJMMWPNCZNSYMV-HNNXBMFYSA-N 1 1 285.435 3.473 20 30 CGEDMO C[N@H+](Cc1ccc(F)cc1)Cc1cc(C#N)ccc1F ZINC000042316468 369213099 /nfs/dbraw/zinc/21/30/99/369213099.db2.gz IPGWRYAPCGVNBX-UHFFFAOYSA-N 1 1 272.298 3.468 20 30 CGEDMO C[N@@H+](Cc1ccc(F)cc1)Cc1cc(C#N)ccc1F ZINC000042316468 369213107 /nfs/dbraw/zinc/21/31/07/369213107.db2.gz IPGWRYAPCGVNBX-UHFFFAOYSA-N 1 1 272.298 3.468 20 30 CGEDMO CC(C)C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C(C)C ZINC000042582757 369225279 /nfs/dbraw/zinc/22/52/79/369225279.db2.gz BRKDQBVNSATLES-UHFFFAOYSA-N 1 1 287.407 3.253 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000276084057 193209756 /nfs/dbraw/zinc/20/97/56/193209756.db2.gz BCWBMTXFLYPIRY-UHFFFAOYSA-N 1 1 266.772 3.095 20 30 CGEDMO C[C@@H](c1cccs1)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000049726756 369414775 /nfs/dbraw/zinc/41/47/75/369414775.db2.gz LBUMSCOSIUMFRE-WFASDCNBSA-N 1 1 286.400 3.346 20 30 CGEDMO C[C@H]([NH2+]Cc1nc2ccccc2[nH]1)c1ccc(C#N)cc1 ZINC000054375458 369501876 /nfs/dbraw/zinc/50/18/76/369501876.db2.gz RUXQKUVQYZCDJO-LBPRGKRZSA-N 1 1 276.343 3.285 20 30 CGEDMO CC(C)(C)OC(=O)[C@@H]1CCCC[N@@H+]1CCC(C)(C)C#N ZINC000128574890 370964678 /nfs/dbraw/zinc/96/46/78/370964678.db2.gz SHBBAEPXLKCCGZ-ZDUSSCGKSA-N 1 1 280.412 3.122 20 30 CGEDMO CC(C)(C)OC(=O)[C@@H]1CCCC[N@H+]1CCC(C)(C)C#N ZINC000128574890 370964682 /nfs/dbraw/zinc/96/46/82/370964682.db2.gz SHBBAEPXLKCCGZ-ZDUSSCGKSA-N 1 1 280.412 3.122 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(F)cn1 ZINC000276216102 193245286 /nfs/dbraw/zinc/24/52/86/193245286.db2.gz LFVCJWMHGIFDHR-UHFFFAOYSA-N 1 1 260.312 3.044 20 30 CGEDMO C=CC[N@@H+](CCC(=O)NC1CCCC1)Cc1ccccc1 ZINC000060467846 369587851 /nfs/dbraw/zinc/58/78/51/369587851.db2.gz NUWLZGCOGGCVOY-UHFFFAOYSA-N 1 1 286.419 3.124 20 30 CGEDMO C=CC[N@H+](CCc1cnn(CC)c1)Cc1ccc(OC)cc1 ZINC000276356396 193299085 /nfs/dbraw/zinc/29/90/85/193299085.db2.gz XPYGMRCKPJOMCH-UHFFFAOYSA-N 1 1 299.418 3.142 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)c1nc2sc(C)c(C)c2c(N)n1 ZINC000276456310 193338259 /nfs/dbraw/zinc/33/82/59/193338259.db2.gz QCXQALVTOIGOIG-SNVBAGLBSA-N 1 1 290.436 3.459 20 30 CGEDMO C=CCC[N@@H+](C)CCCc1nc(-c2ccccc2)no1 ZINC000276434504 193329975 /nfs/dbraw/zinc/32/99/75/193329975.db2.gz NXQNWNWSJVXBDT-UHFFFAOYSA-N 1 1 271.364 3.177 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCOc1ccc(F)cc1 ZINC000071805270 369811843 /nfs/dbraw/zinc/81/18/43/369811843.db2.gz CHHBPTGNTBRVNV-UHFFFAOYSA-N 1 1 251.345 3.493 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC(=O)c1c[nH]c2ccccc12 ZINC000072592154 369827164 /nfs/dbraw/zinc/82/71/64/369827164.db2.gz OBHUGEWKTBESCC-UHFFFAOYSA-N 1 1 256.349 3.249 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)c1c[nH]c2ccccc12 ZINC000072592154 369827167 /nfs/dbraw/zinc/82/71/67/369827167.db2.gz OBHUGEWKTBESCC-UHFFFAOYSA-N 1 1 256.349 3.249 20 30 CGEDMO CCS[C@@H]1CCCC[N@@H+](CCCSCC#N)C1 ZINC000074990744 369893687 /nfs/dbraw/zinc/89/36/87/369893687.db2.gz YZMDQBUWHMZLLD-CYBMUJFWSA-N 1 1 272.483 3.241 20 30 CGEDMO N#CCCCC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000077381980 369946813 /nfs/dbraw/zinc/94/68/13/369946813.db2.gz IUAZFDLAEUZOFV-CQSZACIVSA-N 1 1 272.348 3.246 20 30 CGEDMO C=CCc1cc(C[N@H+]2CC[C@@H](C)[C@H]2C)cc(OC)c1O ZINC000091859677 370076800 /nfs/dbraw/zinc/07/68/00/370076800.db2.gz OQHPTTHSTXVPLB-CHWSQXEVSA-N 1 1 275.392 3.360 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+](C)CC1CCOCC1 ZINC000093284642 370115686 /nfs/dbraw/zinc/11/56/86/370115686.db2.gz ODADBXQHHCCOOY-UHFFFAOYSA-N 1 1 275.392 3.110 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1c[nH]c(C(=O)OC)c1 ZINC000092505685 370098197 /nfs/dbraw/zinc/09/81/97/370098197.db2.gz OXKPMBGZKVCBIO-UHFFFAOYSA-N 1 1 298.386 3.032 20 30 CGEDMO CC(C)(CCC#N)C[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000093458156 370134075 /nfs/dbraw/zinc/13/40/75/370134075.db2.gz MLUPZQPZHZLXSZ-MRXNPFEDSA-N 1 1 288.391 3.095 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000093458156 370134078 /nfs/dbraw/zinc/13/40/78/370134078.db2.gz MLUPZQPZHZLXSZ-MRXNPFEDSA-N 1 1 288.391 3.095 20 30 CGEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(C#N)cs2)C1(C)C ZINC000093605414 370146835 /nfs/dbraw/zinc/14/68/35/370146835.db2.gz OHRFGJFCWDDKJE-KGLIPLIRSA-N 1 1 278.421 3.255 20 30 CGEDMO CC1(C)[C@@H]2C[N@H+](Cc3cccc(OCCCC#N)c3)C[C@@H]21 ZINC000093661044 370153556 /nfs/dbraw/zinc/15/35/56/370153556.db2.gz DHEBAHFKGMQYKB-CALCHBBNSA-N 1 1 284.403 3.457 20 30 CGEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCC[N@H+]1CCCC#N ZINC000102400465 370303705 /nfs/dbraw/zinc/30/37/05/370303705.db2.gz XVDYTNAVIUOEKY-KGLIPLIRSA-N 1 1 295.427 3.058 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)CCOc1ccccc1 ZINC000109813390 370366267 /nfs/dbraw/zinc/36/62/67/370366267.db2.gz BOTFATDXIBOCFM-UHFFFAOYSA-N 1 1 260.381 3.327 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)CCOc1ccccc1 ZINC000109813390 370366272 /nfs/dbraw/zinc/36/62/72/370366272.db2.gz BOTFATDXIBOCFM-UHFFFAOYSA-N 1 1 260.381 3.327 20 30 CGEDMO CN(C)c1ccc(C[N@H+](CCC#N)CC2CC2)cc1F ZINC000119091422 370644146 /nfs/dbraw/zinc/64/41/46/370644146.db2.gz GTYMJNBQRGAKSK-UHFFFAOYSA-N 1 1 275.371 3.017 20 30 CGEDMO CN(C)c1ccc(C[N@@H+](CCC#N)CC2CC2)cc1F ZINC000119091422 370644150 /nfs/dbraw/zinc/64/41/50/370644150.db2.gz GTYMJNBQRGAKSK-UHFFFAOYSA-N 1 1 275.371 3.017 20 30 CGEDMO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000134228614 371313163 /nfs/dbraw/zinc/31/31/63/371313163.db2.gz RRKKLFOAHVDUOT-LIRRHRJNSA-N 1 1 292.382 3.382 20 30 CGEDMO CS[C@H]1CCCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000134548638 371348708 /nfs/dbraw/zinc/34/87/08/371348708.db2.gz KJFAZDCKQNTGOH-HNNXBMFYSA-N 1 1 278.396 3.415 20 30 CGEDMO C=CCOc1ccc(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000287741937 371700321 /nfs/dbraw/zinc/70/03/21/371700321.db2.gz YVGJCWHCEIINIQ-RVKKMQEKSA-N 1 1 288.435 3.070 20 30 CGEDMO C=CCOc1ccc(CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000287741937 371700329 /nfs/dbraw/zinc/70/03/29/371700329.db2.gz YVGJCWHCEIINIQ-RVKKMQEKSA-N 1 1 288.435 3.070 20 30 CGEDMO C=CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)cc1 ZINC000287741937 371700337 /nfs/dbraw/zinc/70/03/37/371700337.db2.gz YVGJCWHCEIINIQ-RVKKMQEKSA-N 1 1 288.435 3.070 20 30 CGEDMO CC[C@H](CC#N)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289068341 371750127 /nfs/dbraw/zinc/75/01/27/371750127.db2.gz AYJPASYWPSDETR-BPQIPLTHSA-N 1 1 285.435 3.179 20 30 CGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000344040312 217022333 /nfs/dbraw/zinc/02/23/33/217022333.db2.gz HFXNPLZGDKZAQW-UONOGXRCSA-N 1 1 299.418 3.253 20 30 CGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC000344043325 217025747 /nfs/dbraw/zinc/02/57/47/217025747.db2.gz XGGKJKFNJZLTDB-KGLIPLIRSA-N 1 1 299.418 3.253 20 30 CGEDMO CC1(C)C[N@H+](Cc2cc(C#N)ccc2F)[C@H]1[C@H]1CCCO1 ZINC000289877167 371844329 /nfs/dbraw/zinc/84/43/29/371844329.db2.gz RPYZRTMYZPIMSV-CVEARBPZSA-N 1 1 288.366 3.087 20 30 CGEDMO CC1(C)C[N@@H+](Cc2cc(C#N)ccc2F)[C@H]1[C@H]1CCCO1 ZINC000289877167 371844333 /nfs/dbraw/zinc/84/43/33/371844333.db2.gz RPYZRTMYZPIMSV-CVEARBPZSA-N 1 1 288.366 3.087 20 30 CGEDMO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CCOC(C)(C)C1 ZINC000289910358 371851936 /nfs/dbraw/zinc/85/19/36/371851936.db2.gz TTYKXDHTZSWRHW-INIZCTEOSA-N 1 1 290.382 3.477 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccncc2)s1 ZINC000289923992 371853994 /nfs/dbraw/zinc/85/39/94/371853994.db2.gz VZNHGNKDIZRWKK-HNNXBMFYSA-N 1 1 269.373 3.352 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccncc2)s1 ZINC000289923992 371853997 /nfs/dbraw/zinc/85/39/97/371853997.db2.gz VZNHGNKDIZRWKK-HNNXBMFYSA-N 1 1 269.373 3.352 20 30 CGEDMO C[C@@H](NCC[N@H+]1[C@H](C)CCC[C@@H]1C)c1cccc(C#N)c1 ZINC000344074256 217039039 /nfs/dbraw/zinc/03/90/39/217039039.db2.gz MNEJNXGGJFKOHX-OWCLPIDISA-N 1 1 285.435 3.472 20 30 CGEDMO C[C@@H](NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)c1cccc(C#N)c1 ZINC000344074256 217039041 /nfs/dbraw/zinc/03/90/41/217039041.db2.gz MNEJNXGGJFKOHX-OWCLPIDISA-N 1 1 285.435 3.472 20 30 CGEDMO CCn1nccc1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000154375917 371841142 /nfs/dbraw/zinc/84/11/42/371841142.db2.gz UKJIFCZXMYNJAW-UHFFFAOYSA-N 1 1 282.391 3.185 20 30 CGEDMO CC1(C)C[N@H+](Cc2ccc(C#N)cc2F)[C@@H]1[C@@H]1CCCO1 ZINC000289871513 371841847 /nfs/dbraw/zinc/84/18/47/371841847.db2.gz RFTZASXMPASIOX-JKSUJKDBSA-N 1 1 288.366 3.087 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2F)[C@@H]1[C@@H]1CCCO1 ZINC000289871513 371841851 /nfs/dbraw/zinc/84/18/51/371841851.db2.gz RFTZASXMPASIOX-JKSUJKDBSA-N 1 1 288.366 3.087 20 30 CGEDMO N#Cc1c(C[N@H+]2CCC[C@H](C3CC3)C2)cn2ccccc12 ZINC000344105427 217051728 /nfs/dbraw/zinc/05/17/28/217051728.db2.gz PLYYGIIPNIVXJE-HNNXBMFYSA-N 1 1 279.387 3.433 20 30 CGEDMO CC#CCC[N@@H+]1CCC[C@@H]1Cc1ccccc1OC ZINC000155317208 371921073 /nfs/dbraw/zinc/92/10/73/371921073.db2.gz GJFCDXLTQLAYNW-MRXNPFEDSA-N 1 1 257.377 3.116 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@@H](C3CC3)C2)cc1C#N ZINC000344092281 217046662 /nfs/dbraw/zinc/04/66/62/217046662.db2.gz JXLOFKYPDLUVSH-OAHLLOKOSA-N 1 1 270.376 3.189 20 30 CGEDMO CC(C)C(=O)CC[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000290461806 371993751 /nfs/dbraw/zinc/99/37/51/371993751.db2.gz WMTKFPDGMBBHHG-UHFFFAOYSA-N 1 1 272.392 3.384 20 30 CGEDMO C#CC[N@H+](CCC(=O)Nc1ccccc1C)C1CCCC1 ZINC000155927726 371952996 /nfs/dbraw/zinc/95/29/96/371952996.db2.gz GZWANMKABVXDHE-UHFFFAOYSA-N 1 1 284.403 3.201 20 30 CGEDMO CC#CC[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000157640027 372031040 /nfs/dbraw/zinc/03/10/40/372031040.db2.gz WRUMLUAFPIBWFB-ZDUSSCGKSA-N 1 1 254.333 3.031 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CC[C@@H](Nc3ccccc3)C2)cc1 ZINC000157027525 372004881 /nfs/dbraw/zinc/00/48/81/372004881.db2.gz HURHUGZTQXJFHA-LJQANCHMSA-N 1 1 294.373 3.364 20 30 CGEDMO C[C@H]1C[C@H](Nc2c(C#N)cnc3ccccc32)C[N@H+]1C1CC1 ZINC000290529770 372010685 /nfs/dbraw/zinc/01/06/85/372010685.db2.gz DBSHZMABSFRPRV-JSGCOSHPSA-N 1 1 292.386 3.144 20 30 CGEDMO CC(C)[N@@H+](CCc1nccs1)Cc1cccc(C#N)c1 ZINC000159731913 372173986 /nfs/dbraw/zinc/17/39/86/372173986.db2.gz ANDYQDWKMCYPGK-UHFFFAOYSA-N 1 1 285.416 3.468 20 30 CGEDMO C=CCOc1cccc(C[NH2+]Cc2oc(CC)nc2C)c1 ZINC000291719947 372174525 /nfs/dbraw/zinc/17/45/25/372174525.db2.gz MKDAYFKTSQJPQD-UHFFFAOYSA-N 1 1 286.375 3.400 20 30 CGEDMO CO[C@@H](C[N@H+](Cc1ccc(C#N)cc1)CC(C)C)C1CC1 ZINC000425402096 372124981 /nfs/dbraw/zinc/12/49/81/372124981.db2.gz QXSWIPVVFJJOBZ-SFHVURJKSA-N 1 1 286.419 3.441 20 30 CGEDMO C=CC[N@H+](C)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000428374828 372186424 /nfs/dbraw/zinc/18/64/24/372186424.db2.gz RBTQNBPATAKTGC-UHFFFAOYSA-N 1 1 261.756 3.348 20 30 CGEDMO CC(C)[N@@H+]1CCCC[C@H]1CN[C@H](C)c1ccc(C#N)cc1 ZINC000344295914 217138130 /nfs/dbraw/zinc/13/81/30/217138130.db2.gz KNVGQEPRRRHTNH-QAPCUYQASA-N 1 1 285.435 3.472 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@H]1CN[C@H](C)c1ccc(C#N)cc1 ZINC000344295914 217138132 /nfs/dbraw/zinc/13/81/32/217138132.db2.gz KNVGQEPRRRHTNH-QAPCUYQASA-N 1 1 285.435 3.472 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)ccc1F ZINC000160888282 372284863 /nfs/dbraw/zinc/28/48/63/372284863.db2.gz CECBCTORHXEIRU-INIZCTEOSA-N 1 1 269.323 3.363 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)ccc1F ZINC000160888282 372284873 /nfs/dbraw/zinc/28/48/73/372284873.db2.gz CECBCTORHXEIRU-INIZCTEOSA-N 1 1 269.323 3.363 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000429706744 372377913 /nfs/dbraw/zinc/37/79/13/372377913.db2.gz HGJXUODMIIMWFQ-CQSZACIVSA-N 1 1 291.395 3.096 20 30 CGEDMO C=CCN(C)CC[N@@H+](CC)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000429706744 372377917 /nfs/dbraw/zinc/37/79/17/372377917.db2.gz HGJXUODMIIMWFQ-CQSZACIVSA-N 1 1 291.395 3.096 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000429706744 372377921 /nfs/dbraw/zinc/37/79/21/372377921.db2.gz HGJXUODMIIMWFQ-CQSZACIVSA-N 1 1 291.395 3.096 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H]2CC)cc1OC ZINC000430205847 372385926 /nfs/dbraw/zinc/38/59/26/372385926.db2.gz NQYVLGJBMFYIRI-AWEZNQCLSA-N 1 1 261.365 3.244 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433078916 372580146 /nfs/dbraw/zinc/58/01/46/372580146.db2.gz XGIGUXSJYHNNFO-DLBZAZTESA-N 1 1 259.393 3.193 20 30 CGEDMO N#CC1(C[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000433300608 372584889 /nfs/dbraw/zinc/58/48/89/372584889.db2.gz DOAKDJNQYYDAHV-ZDUSSCGKSA-N 1 1 260.768 3.433 20 30 CGEDMO N#CC1(C[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000433300608 372584895 /nfs/dbraw/zinc/58/48/95/372584895.db2.gz DOAKDJNQYYDAHV-ZDUSSCGKSA-N 1 1 260.768 3.433 20 30 CGEDMO CCC[N@@H+](CC)C[C@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000353479383 220108021 /nfs/dbraw/zinc/10/80/21/220108021.db2.gz AKCNWKZZMONFRC-LSDHHAIUSA-N 1 1 273.424 3.329 20 30 CGEDMO CCCN(CC)C[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000353479383 220108022 /nfs/dbraw/zinc/10/80/22/220108022.db2.gz AKCNWKZZMONFRC-LSDHHAIUSA-N 1 1 273.424 3.329 20 30 CGEDMO N#Cc1cccc(C2([NH2+]Cc3cc(F)ncc3F)CC2)c1 ZINC000295819906 372923722 /nfs/dbraw/zinc/92/37/22/372923722.db2.gz UPPTVJFRHUHOJR-UHFFFAOYSA-N 1 1 285.297 3.010 20 30 CGEDMO CC(C)N(C)c1ccccc1C[NH2+]Cc1ccc(C#N)o1 ZINC000438333428 372925789 /nfs/dbraw/zinc/92/57/89/372925789.db2.gz HNBWCGRKGBUTGJ-UHFFFAOYSA-N 1 1 283.375 3.286 20 30 CGEDMO CO[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)[C@H](C)C1 ZINC000441343756 373003210 /nfs/dbraw/zinc/00/32/10/373003210.db2.gz GYUJPNMFKCUFKC-UKRRQHHQSA-N 1 1 277.795 3.191 20 30 CGEDMO CO[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)[C@H](C)C1 ZINC000441343756 373003217 /nfs/dbraw/zinc/00/32/17/373003217.db2.gz GYUJPNMFKCUFKC-UKRRQHHQSA-N 1 1 277.795 3.191 20 30 CGEDMO C=CC[N@@H+]1[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@@H]2CCCC[C@@H]21 ZINC000439939943 372982827 /nfs/dbraw/zinc/98/28/27/372982827.db2.gz HBSSFXOGBDZPCR-NRKLIOEPSA-N 1 1 292.467 3.356 20 30 CGEDMO Cc1nc(C)c(C[N@H+](C)Cc2ccc(C#N)cc2)s1 ZINC000172748666 373025498 /nfs/dbraw/zinc/02/54/98/373025498.db2.gz FRSLPSDTJFJDKD-UHFFFAOYSA-N 1 1 271.389 3.264 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@H]1C ZINC000441441943 373014396 /nfs/dbraw/zinc/01/43/96/373014396.db2.gz CIJZTWTXJIIKCZ-STQMWFEESA-N 1 1 296.374 3.229 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)C[C@H](O)Cc1ccccc1 ZINC000173553404 373156567 /nfs/dbraw/zinc/15/65/67/373156567.db2.gz SPNKECGWSZWJBZ-GOSISDBHSA-N 1 1 288.435 3.242 20 30 CGEDMO CC[C@@]1(C)CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000173778157 373190742 /nfs/dbraw/zinc/19/07/42/373190742.db2.gz SHYQDZAREIILRT-KRWDZBQOSA-N 1 1 285.391 3.009 20 30 CGEDMO Cc1cc(Br)ccc1C[N@@H+](C)CCCC#N ZINC000444706871 373244752 /nfs/dbraw/zinc/24/47/52/373244752.db2.gz OZLDUDSHMQSVTJ-UHFFFAOYSA-N 1 1 281.197 3.493 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2cc(C)n(C)n2)CCCC1(C)C ZINC000444773941 373269983 /nfs/dbraw/zinc/26/99/83/373269983.db2.gz GXTGYXPIEBCCJJ-OAHLLOKOSA-N 1 1 261.413 3.295 20 30 CGEDMO CC(C)[N@@H+](C)C[C@H](C)N[C@H](C)c1ccc(C#N)cc1F ZINC000353581294 220171819 /nfs/dbraw/zinc/17/18/19/220171819.db2.gz YSRPEBZGTHJOFA-QWHCGFSZSA-N 1 1 277.387 3.077 20 30 CGEDMO N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](CO)C2)cc1 ZINC000174702378 373357386 /nfs/dbraw/zinc/35/73/86/373357386.db2.gz HXRFGZBKVAWZOI-MRXNPFEDSA-N 1 1 292.382 3.039 20 30 CGEDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNc1ccc(C#N)cc1 ZINC000447806146 373493726 /nfs/dbraw/zinc/49/37/26/373493726.db2.gz LTHBZVZRZMASMA-HNNXBMFYSA-N 1 1 257.381 3.091 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1ccncc1F ZINC000449227691 373672921 /nfs/dbraw/zinc/67/29/21/373672921.db2.gz QKTDTVBNEDAZGE-UHFFFAOYSA-N 1 1 260.312 3.044 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1ccncc1F ZINC000449227691 373672926 /nfs/dbraw/zinc/67/29/26/373672926.db2.gz QKTDTVBNEDAZGE-UHFFFAOYSA-N 1 1 260.312 3.044 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2ccnc(OC)n2)CCCC1(C)C ZINC000449284414 373677522 /nfs/dbraw/zinc/67/75/22/373677522.db2.gz OTVNDFONWHJELQ-CQSZACIVSA-N 1 1 275.396 3.052 20 30 CGEDMO C[C@H](CNc1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000301266535 373719024 /nfs/dbraw/zinc/71/90/24/373719024.db2.gz PVSNKZQHNKVYQL-OAHLLOKOSA-N 1 1 279.387 3.491 20 30 CGEDMO C[C@@H](CNc1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000301266532 373719368 /nfs/dbraw/zinc/71/93/68/373719368.db2.gz PVSNKZQHNKVYQL-HNNXBMFYSA-N 1 1 279.387 3.491 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000449619377 373835703 /nfs/dbraw/zinc/83/57/03/373835703.db2.gz PGQBBYKZWBUWEQ-INIZCTEOSA-N 1 1 289.419 3.234 20 30 CGEDMO C=CCC1(C[NH2+]C2CCN(CC)CC2)CCCC1 ZINC000449607529 373835873 /nfs/dbraw/zinc/83/58/73/373835873.db2.gz YCHOLNYJYKYRGW-UHFFFAOYSA-N 1 1 250.430 3.197 20 30 CGEDMO C[C@]12C[N@@H+](Cc3ccc(C#N)o3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000449762951 373892471 /nfs/dbraw/zinc/89/24/71/373892471.db2.gz NDAYQUCQMMBLIQ-GUYJKWIASA-N 1 1 256.349 3.019 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H](COC)CC2)cc1 ZINC000449773551 373902032 /nfs/dbraw/zinc/90/20/32/373902032.db2.gz IQRBNFMZEOYODM-KRWDZBQOSA-N 1 1 289.419 3.500 20 30 CGEDMO C=CCCCN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000449898171 373961454 /nfs/dbraw/zinc/96/14/54/373961454.db2.gz CZSCMCKRQSGCNM-MRXNPFEDSA-N 1 1 278.440 3.208 20 30 CGEDMO COc1ccc(O)c(C[N@H+](CCC#N)CCC(C)C)c1 ZINC000180059310 373961652 /nfs/dbraw/zinc/96/16/52/373961652.db2.gz PDIBDTDVDZVWAT-UHFFFAOYSA-N 1 1 276.380 3.163 20 30 CGEDMO COc1ccc(O)c(C[N@@H+](CCC#N)CCC(C)C)c1 ZINC000180059310 373961661 /nfs/dbraw/zinc/96/16/61/373961661.db2.gz PDIBDTDVDZVWAT-UHFFFAOYSA-N 1 1 276.380 3.163 20 30 CGEDMO C=CCC1(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)CCCC1 ZINC000449803792 373932257 /nfs/dbraw/zinc/93/22/57/373932257.db2.gz MEYHJZWTCZFBJE-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](C2CC2)C1 ZINC000289534370 197393243 /nfs/dbraw/zinc/39/32/43/197393243.db2.gz WITGYDJHIYJXEO-CJNGLKHVSA-N 1 1 297.402 3.007 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CCCC1 ZINC000450105854 373988413 /nfs/dbraw/zinc/98/84/13/373988413.db2.gz QKQNHRFJWJJZFA-MRXNPFEDSA-N 1 1 292.467 3.217 20 30 CGEDMO C[C@H](NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000181502596 374133783 /nfs/dbraw/zinc/13/37/83/374133783.db2.gz YWQIBVQDTGZJJK-PMPSAXMXSA-N 1 1 285.435 3.329 20 30 CGEDMO C[C@H](NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000181502596 374133786 /nfs/dbraw/zinc/13/37/86/374133786.db2.gz YWQIBVQDTGZJJK-PMPSAXMXSA-N 1 1 285.435 3.329 20 30 CGEDMO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1cccc(O)c1 ZINC000181484935 374131342 /nfs/dbraw/zinc/13/13/42/374131342.db2.gz KBHALZFODKQVHI-LLVKDONJSA-N 1 1 270.307 3.254 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181302964 374105996 /nfs/dbraw/zinc/10/59/96/374105996.db2.gz XCFJLEFJRADVFP-OAHLLOKOSA-N 1 1 282.391 3.227 20 30 CGEDMO CCC1(CC)CC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000316725683 374336291 /nfs/dbraw/zinc/33/62/91/374336291.db2.gz NHLPLVBJOOEJON-CQSZACIVSA-N 1 1 299.418 3.397 20 30 CGEDMO C[C@@H](C1CCC1)[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000325536916 374358814 /nfs/dbraw/zinc/35/88/14/374358814.db2.gz IJGJYLXIXTVFRI-ZDUSSCGKSA-N 1 1 285.391 3.007 20 30 CGEDMO C[C@H](NCc1ccccc1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183102602 374371546 /nfs/dbraw/zinc/37/15/46/374371546.db2.gz YEHYCNOAPFMGHD-MAUKXSAKSA-N 1 1 297.446 3.301 20 30 CGEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000329295124 374401886 /nfs/dbraw/zinc/40/18/86/374401886.db2.gz SFUUIYHGBTYBIW-MGPQQGTHSA-N 1 1 295.427 3.301 20 30 CGEDMO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccc2nc[nH]c2c1 ZINC000329840741 374435827 /nfs/dbraw/zinc/43/58/27/374435827.db2.gz JUMASVXWQBWKFQ-GHMZBOCLSA-N 1 1 272.352 3.024 20 30 CGEDMO C[C@H](C#N)CNC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000183818228 374461592 /nfs/dbraw/zinc/46/15/92/374461592.db2.gz LSSGAFLUNDINRQ-CYBMUJFWSA-N 1 1 291.826 3.054 20 30 CGEDMO Cn1c2ccc(F)cc2[nH+]c1NCc1ccc(C#N)s1 ZINC000184253757 374508272 /nfs/dbraw/zinc/50/82/72/374508272.db2.gz PRBUGGJUDVKWIT-UHFFFAOYSA-N 1 1 286.335 3.258 20 30 CGEDMO C[C@@H]1CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC12CCC2 ZINC000459370485 374804208 /nfs/dbraw/zinc/80/42/08/374804208.db2.gz IQRXVILUMKPPQM-CYBMUJFWSA-N 1 1 299.374 3.479 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC12CCC2 ZINC000459370485 374804214 /nfs/dbraw/zinc/80/42/14/374804214.db2.gz IQRXVILUMKPPQM-CYBMUJFWSA-N 1 1 299.374 3.479 20 30 CGEDMO C[C@H]1CC[C@]2(CC[N@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C2)C1 ZINC000459399225 374806790 /nfs/dbraw/zinc/80/67/90/374806790.db2.gz BHHUUSWAEDELAQ-GUYCJALGSA-N 1 1 299.374 3.479 20 30 CGEDMO C[C@H]1CC[C@]2(CC[N@@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C2)C1 ZINC000459399225 374806799 /nfs/dbraw/zinc/80/67/99/374806799.db2.gz BHHUUSWAEDELAQ-GUYCJALGSA-N 1 1 299.374 3.479 20 30 CGEDMO C=CCC1(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CCCC1 ZINC000334565656 374865065 /nfs/dbraw/zinc/86/50/65/374865065.db2.gz QBTCRSRZQUNYMG-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@H](C)C#N ZINC000470174393 374996223 /nfs/dbraw/zinc/99/62/23/374996223.db2.gz KLQNIMSBYNQHCG-FFXRNRBCSA-N 1 1 273.336 3.090 20 30 CGEDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@H](C)C#N ZINC000470174393 374996230 /nfs/dbraw/zinc/99/62/30/374996230.db2.gz KLQNIMSBYNQHCG-FFXRNRBCSA-N 1 1 273.336 3.090 20 30 CGEDMO C=C(C)[C@H]([NH2+]Cc1c[nH]nc1C)c1ccc(F)c(F)c1 ZINC000187371168 375010785 /nfs/dbraw/zinc/01/07/85/375010785.db2.gz FSUHXWNVWLZRBU-HNNXBMFYSA-N 1 1 277.318 3.403 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000472583398 375027074 /nfs/dbraw/zinc/02/70/74/375027074.db2.gz FDZGHFIHPPVTNG-NJAFHUGGSA-N 1 1 273.420 3.439 20 30 CGEDMO C=CCCCCNC(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000472833798 375035882 /nfs/dbraw/zinc/03/58/82/375035882.db2.gz OEYWIYOQYYMKHM-INIZCTEOSA-N 1 1 295.471 3.010 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccnn1-c1ccccc1C ZINC000474947625 375130723 /nfs/dbraw/zinc/13/07/23/375130723.db2.gz YTBXKOCKIHZZHH-UHFFFAOYSA-N 1 1 255.365 3.189 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](CN(CC)CC(F)(F)F)C1 ZINC000477757157 375144849 /nfs/dbraw/zinc/14/48/49/375144849.db2.gz SBNUDZCHPQQNKA-ZDUSSCGKSA-N 1 1 278.362 3.159 20 30 CGEDMO C[N@H+](CC#Cc1ccccc1)CCCOc1ccccc1 ZINC000483532828 375183772 /nfs/dbraw/zinc/18/37/72/375183772.db2.gz QIWZSSXADIPLFT-UHFFFAOYSA-N 1 1 279.383 3.439 20 30 CGEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1ccccc1C(C)(C)C ZINC000481313833 375163518 /nfs/dbraw/zinc/16/35/18/375163518.db2.gz HPAMISOUJCEFCP-UHFFFAOYSA-N 1 1 274.408 3.431 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)Nc1ccccc1C(C)(C)C ZINC000481313833 375163522 /nfs/dbraw/zinc/16/35/22/375163522.db2.gz HPAMISOUJCEFCP-UHFFFAOYSA-N 1 1 274.408 3.431 20 30 CGEDMO C=CC[N@@H+](CCCc1ccc2c(c1)CCO2)C1CC1 ZINC000482251082 375169151 /nfs/dbraw/zinc/16/91/51/375169151.db2.gz BBROSTKGSVUVCS-UHFFFAOYSA-N 1 1 257.377 3.205 20 30 CGEDMO Cc1nccnc1[C@H](C)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000188258337 375185449 /nfs/dbraw/zinc/18/54/49/375185449.db2.gz WHXQTSYRNBORTM-GOEBONIOSA-N 1 1 280.375 3.481 20 30 CGEDMO Cc1cc(C[N@@H+]2CCOC[C@@H]2CC(C)C)ccc1C#N ZINC000487869467 375280083 /nfs/dbraw/zinc/28/00/83/375280083.db2.gz LAPMXLHWOZQOLG-KRWDZBQOSA-N 1 1 272.392 3.114 20 30 CGEDMO COCC[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCC[C@H]1C ZINC000487989835 375291707 /nfs/dbraw/zinc/29/17/07/375291707.db2.gz QGVSLJCYODZWBQ-PBHICJAKSA-N 1 1 272.392 3.195 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2c2ccncc2)c1F ZINC000335461900 375310368 /nfs/dbraw/zinc/31/03/68/375310368.db2.gz VPMYQKQKDLCGAP-MRXNPFEDSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]2c2ccncc2)c1F ZINC000335461900 375310372 /nfs/dbraw/zinc/31/03/72/375310372.db2.gz VPMYQKQKDLCGAP-MRXNPFEDSA-N 1 1 281.334 3.429 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)CCC2=CCCCC2)n1 ZINC000491695736 375341315 /nfs/dbraw/zinc/34/13/15/375341315.db2.gz YGTUXOSEOGYKOZ-UHFFFAOYSA-N 1 1 271.408 3.229 20 30 CGEDMO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000335681233 375341833 /nfs/dbraw/zinc/34/18/33/375341833.db2.gz OYJAPBLMDVKWDV-JOYOIKCWSA-N 1 1 286.272 3.470 20 30 CGEDMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000335681233 375341837 /nfs/dbraw/zinc/34/18/37/375341837.db2.gz OYJAPBLMDVKWDV-JOYOIKCWSA-N 1 1 286.272 3.470 20 30 CGEDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000335681231 375342099 /nfs/dbraw/zinc/34/20/99/375342099.db2.gz OYJAPBLMDVKWDV-BXKDBHETSA-N 1 1 286.272 3.470 20 30 CGEDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000335681231 375342102 /nfs/dbraw/zinc/34/21/02/375342102.db2.gz OYJAPBLMDVKWDV-BXKDBHETSA-N 1 1 286.272 3.470 20 30 CGEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cncc(C)c1 ZINC000189810823 375449462 /nfs/dbraw/zinc/44/94/62/375449462.db2.gz MJJPJEMKFGVDLI-UHFFFAOYSA-N 1 1 277.371 3.450 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cncc(C)c1 ZINC000189810823 375449466 /nfs/dbraw/zinc/44/94/66/375449466.db2.gz MJJPJEMKFGVDLI-UHFFFAOYSA-N 1 1 277.371 3.450 20 30 CGEDMO C[C@@H](CCC#N)[N@@H+]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000496367691 375531480 /nfs/dbraw/zinc/53/14/80/375531480.db2.gz LPALXCVLALZQSO-ZDUSSCGKSA-N 1 1 295.427 3.010 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000496367691 375531483 /nfs/dbraw/zinc/53/14/83/375531483.db2.gz LPALXCVLALZQSO-ZDUSSCGKSA-N 1 1 295.427 3.010 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000493948809 375484077 /nfs/dbraw/zinc/48/40/77/375484077.db2.gz LCDHJSLQGNSACI-KBPBESRZSA-N 1 1 282.428 3.188 20 30 CGEDMO C/C(=C\c1ccccc1)C[N@H+](C)C[C@H](C#N)CCC#N ZINC000494269023 375486650 /nfs/dbraw/zinc/48/66/50/375486650.db2.gz UIIHOJBFAOQUJT-JMPLCFMRSA-N 1 1 267.376 3.465 20 30 CGEDMO C/C(=C\c1ccccc1)C[N@@H+](C)C[C@H](C#N)CCC#N ZINC000494269023 375486654 /nfs/dbraw/zinc/48/66/54/375486654.db2.gz UIIHOJBFAOQUJT-JMPLCFMRSA-N 1 1 267.376 3.465 20 30 CGEDMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000335881586 375509798 /nfs/dbraw/zinc/50/97/98/375509798.db2.gz PCEBSZWCLCICHA-GXFFZTMASA-N 1 1 268.282 3.331 20 30 CGEDMO CC#CCC[N@@H+](C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496758624 375554615 /nfs/dbraw/zinc/55/46/15/375554615.db2.gz YFSKZRSLPBJGTB-CQSZACIVSA-N 1 1 286.375 3.049 20 30 CGEDMO C=CCC1(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)CCC1 ZINC000191134632 375583229 /nfs/dbraw/zinc/58/32/29/375583229.db2.gz TTWPXDBTPKUCCZ-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC1CC[NH+](Cc2ccc(Br)o2)CC1 ZINC000191354421 375616774 /nfs/dbraw/zinc/61/67/74/375616774.db2.gz JJWXMXUTLCCLMW-UHFFFAOYSA-N 1 1 270.170 3.440 20 30 CGEDMO CCC[N@@H+](CC1(C#N)CC1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502918635 375648477 /nfs/dbraw/zinc/64/84/77/375648477.db2.gz JDNGIWPKJSEWCA-OAHLLOKOSA-N 1 1 299.418 3.419 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccc(OCC2CC2)cc1 ZINC000191758635 375659301 /nfs/dbraw/zinc/65/93/01/375659301.db2.gz XLPWHWANVLRAAP-UHFFFAOYSA-N 1 1 275.392 3.110 20 30 CGEDMO C=CCC(C)(C)C(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000501148489 375639198 /nfs/dbraw/zinc/63/91/98/375639198.db2.gz XWVDHMNDUPTDCL-UHFFFAOYSA-N 1 1 292.467 3.383 20 30 CGEDMO Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)ccc1C#N ZINC000336096250 375683877 /nfs/dbraw/zinc/68/38/77/375683877.db2.gz XPIOKURHLMRJRY-KDOFPFPSSA-N 1 1 294.402 3.146 20 30 CGEDMO C[C@]12CC[N@@H+](Cc3cccc(C#N)c3)C[C@H]1C2(F)F ZINC000336114807 375697065 /nfs/dbraw/zinc/69/70/65/375697065.db2.gz CEVLJSIACTXSPU-KGLIPLIRSA-N 1 1 262.303 3.035 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c(Cl)c1 ZINC000336159194 375735781 /nfs/dbraw/zinc/73/57/81/375735781.db2.gz OSECVPXRDKSUEA-UKRRQHHQSA-N 1 1 290.794 3.070 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000193306850 375856687 /nfs/dbraw/zinc/85/66/87/375856687.db2.gz RKSZZILSGQOYHW-UHFFFAOYSA-N 1 1 278.362 3.303 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1ccc(OC)cc1OC ZINC000522775603 375879487 /nfs/dbraw/zinc/87/94/87/375879487.db2.gz IZXCIBHJVIGRQR-UHFFFAOYSA-N 1 1 263.381 3.492 20 30 CGEDMO C[C@H]1CCC[C@H](C)[N@@H+](CCOc2ccccc2C#N)C1 ZINC000525127853 375881628 /nfs/dbraw/zinc/88/16/28/375881628.db2.gz QEQJHUGADFJCCF-GJZGRUSLSA-N 1 1 272.392 3.448 20 30 CGEDMO C=CCCCCC[N@@H+]1CCSC[C@H]1c1cnn(C)c1 ZINC000193579384 375894579 /nfs/dbraw/zinc/89/45/79/375894579.db2.gz AZEMSTQWEKLWPE-HNNXBMFYSA-N 1 1 279.453 3.256 20 30 CGEDMO N#CC1(C[NH2+][C@H](c2ccccn2)C2CCC2)CCC1 ZINC000528656815 375907727 /nfs/dbraw/zinc/90/77/27/375907727.db2.gz UCKUWPZKOLPCKR-HNNXBMFYSA-N 1 1 255.365 3.206 20 30 CGEDMO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000528765353 375909741 /nfs/dbraw/zinc/90/97/41/375909741.db2.gz BHYWHWQVJFQUFW-GFCCVEGCSA-N 1 1 264.319 3.372 20 30 CGEDMO C=CCNC(=O)C[N@H+](CC(C)C)[C@@H](CC)c1ccccc1 ZINC000533522652 375954771 /nfs/dbraw/zinc/95/47/71/375954771.db2.gz GRPOJSUJLUYFCU-KRWDZBQOSA-N 1 1 288.435 3.398 20 30 CGEDMO CC[C@@H]1CCCC[N@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC000535219636 376030624 /nfs/dbraw/zinc/03/06/24/376030624.db2.gz NDWCAQXKALCMRV-CQSZACIVSA-N 1 1 286.375 3.109 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000535377320 376037211 /nfs/dbraw/zinc/03/72/11/376037211.db2.gz DSCVPKRPIVFGQW-CQSZACIVSA-N 1 1 251.757 3.369 20 30 CGEDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000195196274 376086130 /nfs/dbraw/zinc/08/61/30/376086130.db2.gz ATFLNXSCEDWKFV-QGZVFWFLSA-N 1 1 294.439 3.228 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2C[C@@H](C)C[C@H]2C)cc1OC ZINC000536659368 376112767 /nfs/dbraw/zinc/11/27/67/376112767.db2.gz YKHNSEOVKBVDKG-UONOGXRCSA-N 1 1 275.392 3.490 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2C[C@@H](C)C[C@@H]2C)cc1OC ZINC000536659366 376113023 /nfs/dbraw/zinc/11/30/23/376113023.db2.gz YKHNSEOVKBVDKG-KBPBESRZSA-N 1 1 275.392 3.490 20 30 CGEDMO N#Cc1cccc(OCCC[N@H+]2CCc3ccccc3C2)c1 ZINC000195577844 376113929 /nfs/dbraw/zinc/11/39/29/376113929.db2.gz XKGIMJWIYIHRHG-UHFFFAOYSA-N 1 1 292.382 3.385 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCO[C@H](CCC)C2)c1 ZINC000536669981 376117503 /nfs/dbraw/zinc/11/75/03/376117503.db2.gz GTBBCLGPZZWDLL-QGZVFWFLSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCO[C@H](CCC)C2)c1 ZINC000536669981 376117508 /nfs/dbraw/zinc/11/75/08/376117508.db2.gz GTBBCLGPZZWDLL-QGZVFWFLSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CC[N@@H+](CC(=O)N[C@H](C)c1ccc(C)c(C)c1)C1CC1 ZINC000536742124 376127781 /nfs/dbraw/zinc/12/77/81/376127781.db2.gz RKQIGPAFEGUCSV-OAHLLOKOSA-N 1 1 286.419 3.131 20 30 CGEDMO C=CC[N@H+](CC(=O)N[C@H](C)c1ccc(C)c(C)c1)C1CC1 ZINC000536742124 376127785 /nfs/dbraw/zinc/12/77/85/376127785.db2.gz RKQIGPAFEGUCSV-OAHLLOKOSA-N 1 1 286.419 3.131 20 30 CGEDMO C=CCCC[C@@H](C)[N@@H+]1CCN(CCOC)[C@H](CCC)C1 ZINC000538142398 376223732 /nfs/dbraw/zinc/22/37/32/376223732.db2.gz AGQDKOPVUWTFMB-IAGOWNOFSA-N 1 1 282.472 3.164 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@H](C)CC(=O)Nc1ccccc1 ZINC000337469680 376224528 /nfs/dbraw/zinc/22/45/28/376224528.db2.gz UREQWJUXFOWBQF-CQSZACIVSA-N 1 1 273.380 3.029 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCO[C@H](CCC)C1 ZINC000538725894 376260407 /nfs/dbraw/zinc/26/04/07/376260407.db2.gz DOOPJIJDPORSFI-MRXNPFEDSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCO[C@H](CCC)C1 ZINC000538725894 376260413 /nfs/dbraw/zinc/26/04/13/376260413.db2.gz DOOPJIJDPORSFI-MRXNPFEDSA-N 1 1 275.392 3.252 20 30 CGEDMO Cc1cc(NC[C@H](C)C#N)c2cc(OC(F)F)ccc2[nH+]1 ZINC000541007384 376412019 /nfs/dbraw/zinc/41/20/19/376412019.db2.gz XOTMMCKOGXYQDK-SECBINFHSA-N 1 1 291.301 3.138 20 30 CGEDMO COC(=O)c1cccc(C[NH2+][C@@H](C)c2ccccc2)c1C#N ZINC000540404984 376373086 /nfs/dbraw/zinc/37/30/86/376373086.db2.gz TUQIMYMRPYJBDH-ZDUSSCGKSA-N 1 1 294.354 3.196 20 30 CGEDMO C=CCCC[C@@H](C)NC(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000540568817 376381282 /nfs/dbraw/zinc/38/12/82/376381282.db2.gz MNJLDFVTNDDBKX-CVEARBPZSA-N 1 1 295.471 3.295 20 30 CGEDMO CCCC[N@@H+]1CCCC[C@@H]1CNCc1ccc(C#N)s1 ZINC000540609145 376386253 /nfs/dbraw/zinc/38/62/53/376386253.db2.gz CYEABXPGRGUJIL-CQSZACIVSA-N 1 1 291.464 3.364 20 30 CGEDMO CCCC[N@H+]1CCCC[C@@H]1CNCc1ccc(C#N)s1 ZINC000540609145 376386261 /nfs/dbraw/zinc/38/62/61/376386261.db2.gz CYEABXPGRGUJIL-CQSZACIVSA-N 1 1 291.464 3.364 20 30 CGEDMO C[N@H+](CC#Cc1ccc(F)cc1)CCc1ccccc1O ZINC000541392825 376446034 /nfs/dbraw/zinc/44/60/34/376446034.db2.gz KNNXYVSZCSKRRN-UHFFFAOYSA-N 1 1 283.346 3.057 20 30 CGEDMO Cc1ccccc1[C@H]1CCC[N@H+]1CCOCCC#N ZINC000338918850 376575944 /nfs/dbraw/zinc/57/59/44/376575944.db2.gz TZRIOUJAJTXLBQ-MRXNPFEDSA-N 1 1 258.365 3.062 20 30 CGEDMO C=C1CC[NH+]([C@@H](C)C(=O)Nc2cccc3ncccc32)CC1 ZINC000264520144 190116041 /nfs/dbraw/zinc/11/60/41/190116041.db2.gz ZTDRSYDFGURICG-AWEZNQCLSA-N 1 1 295.386 3.214 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000544440127 376737364 /nfs/dbraw/zinc/73/73/64/376737364.db2.gz UKUCQOKWYIASBB-RRFJBIMHSA-N 1 1 253.430 3.460 20 30 CGEDMO N#Cc1c(C[N@H+]2CC[C@H](CC3CC3)C2)cn2ccccc12 ZINC000339671346 376799631 /nfs/dbraw/zinc/79/96/31/376799631.db2.gz GXAQDDYVDCIILC-OAHLLOKOSA-N 1 1 279.387 3.433 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](CC3CC3)C2)cc1F ZINC000339682602 376810465 /nfs/dbraw/zinc/81/04/65/376810465.db2.gz KOTDETGUXLTZNN-CQSZACIVSA-N 1 1 258.340 3.319 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000556271439 376861886 /nfs/dbraw/zinc/86/18/86/376861886.db2.gz QFTRXYJVCSGVQQ-INIZCTEOSA-N 1 1 286.419 3.328 20 30 CGEDMO C#CC[N@H+](CCc1scnc1C)C1CCCCC1 ZINC000738310295 572370519 /nfs/dbraw/zinc/37/05/19/572370519.db2.gz VWLLPYGJOFBYCZ-UHFFFAOYSA-N 1 1 262.422 3.262 20 30 CGEDMO C[C@@H](N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000245961890 376945571 /nfs/dbraw/zinc/94/55/71/376945571.db2.gz YHEDDQXRAWAXBL-OWCLPIDISA-N 1 1 285.435 3.329 20 30 CGEDMO C[C@@H](N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000245961890 376945574 /nfs/dbraw/zinc/94/55/74/376945574.db2.gz YHEDDQXRAWAXBL-OWCLPIDISA-N 1 1 285.435 3.329 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]1Cc1ccccc1OC ZINC000246035536 376956012 /nfs/dbraw/zinc/95/60/12/376956012.db2.gz QMAVUHURHPLCDQ-SJORKVTESA-N 1 1 289.419 3.029 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000246079651 376962690 /nfs/dbraw/zinc/96/26/90/376962690.db2.gz ZOYZCCHBGBKXGI-IRXDYDNUSA-N 1 1 259.393 3.021 20 30 CGEDMO C[C@@H]1C[C@@H](N[C@H](CCC#N)c2ccccc2)CC[N@H+]1C ZINC000246374583 377017447 /nfs/dbraw/zinc/01/74/47/377017447.db2.gz JQMIHSWCZRFBMK-HYVNUMGLSA-N 1 1 271.408 3.104 20 30 CGEDMO C[C@@H]1C[C@@H]([NH2+][C@H](CCC#N)c2ccccc2)CCN1C ZINC000246374583 377017460 /nfs/dbraw/zinc/01/74/60/377017460.db2.gz JQMIHSWCZRFBMK-HYVNUMGLSA-N 1 1 271.408 3.104 20 30 CGEDMO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccncc1F ZINC000340333982 377010963 /nfs/dbraw/zinc/01/09/63/377010963.db2.gz FHEOJRXCGRLYNS-LBPRGKRZSA-N 1 1 281.334 3.432 20 30 CGEDMO C[C@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)[C@H]1C ZINC000246910495 377118198 /nfs/dbraw/zinc/11/81/98/377118198.db2.gz PSPXCPOSAJJEEO-RYUDHWBXSA-N 1 1 291.420 3.069 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000246658707 377069461 /nfs/dbraw/zinc/06/94/61/377069461.db2.gz CVWMXFJQVNCCKP-CVEARBPZSA-N 1 1 291.460 3.428 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000247658324 377229951 /nfs/dbraw/zinc/22/99/51/377229951.db2.gz XGRPEMUWUCMIMC-LXZKKBNFSA-N 1 1 277.383 3.331 20 30 CGEDMO C=CCOc1ccccc1CN[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000248151068 377271506 /nfs/dbraw/zinc/27/15/06/377271506.db2.gz QTSXYPRWUFRFSS-RDJZCZTQSA-N 1 1 288.435 3.071 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248626276 377370034 /nfs/dbraw/zinc/37/00/34/377370034.db2.gz OCLDIUQIPGUJTA-ZOBUZTSGSA-N 1 1 290.451 3.064 20 30 CGEDMO C[C@H](c1ccncc1)[N@H+](C)Cc1cccc(C#N)c1F ZINC000341149206 377420158 /nfs/dbraw/zinc/42/01/58/377420158.db2.gz UXVUHVDFIYSWQJ-GFCCVEGCSA-N 1 1 269.323 3.285 20 30 CGEDMO C[C@H](c1ccncc1)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000341149206 377420168 /nfs/dbraw/zinc/42/01/68/377420168.db2.gz UXVUHVDFIYSWQJ-GFCCVEGCSA-N 1 1 269.323 3.285 20 30 CGEDMO N#Cc1cccc(C2([NH2+]Cc3ccc(C#N)cc3F)CC2)c1 ZINC000341212767 377446908 /nfs/dbraw/zinc/44/69/08/377446908.db2.gz KTTYQNIRSREQBY-UHFFFAOYSA-N 1 1 291.329 3.348 20 30 CGEDMO C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccccc1[N+](=O)[O-] ZINC000341312997 377502399 /nfs/dbraw/zinc/50/23/99/377502399.db2.gz RUNZBGIDOHUINJ-SNVBAGLBSA-N 1 1 287.344 3.379 20 30 CGEDMO CC#CC[N@@H+](C)Cc1cccc(Br)c1C ZINC000566903393 377502643 /nfs/dbraw/zinc/50/26/43/377502643.db2.gz JEGIOAXINZEHRE-UHFFFAOYSA-N 1 1 266.182 3.213 20 30 CGEDMO C=CCNC(=O)C[N@H+]([C@@H](C)c1ccccc1)C1CCCC1 ZINC000565742347 377489231 /nfs/dbraw/zinc/48/92/31/377489231.db2.gz CJOLUUIAESUQHQ-HNNXBMFYSA-N 1 1 286.419 3.294 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000565874455 377490263 /nfs/dbraw/zinc/49/02/63/377490263.db2.gz KIVVOUKYPLUZNH-OAHLLOKOSA-N 1 1 267.413 3.396 20 30 CGEDMO C=CC[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249711415 377523905 /nfs/dbraw/zinc/52/39/05/377523905.db2.gz FBMHPSSAFFHWBZ-OLZOCXBDSA-N 1 1 272.175 3.069 20 30 CGEDMO C[C@H]1C[C@@H](Nc2cc(Cl)ccc2C#N)CC[N@H+]1C ZINC000090794959 249029353 /nfs/dbraw/zinc/02/93/53/249029353.db2.gz QZQLLSZCUOESOE-GWCFXTLKSA-N 1 1 263.772 3.106 20 30 CGEDMO C[C@@H]1C[C@@H](Nc2ccc(C#N)c(C(F)(F)F)c2)CC[N@H+]1C ZINC000090795364 249030069 /nfs/dbraw/zinc/03/00/69/249030069.db2.gz UOSMPUCBQUAKGW-MFKMUULPSA-N 1 1 297.324 3.472 20 30 CGEDMO Cc1csc([C@H](C)[NH2+]Cc2cc(C#N)cs2)n1 ZINC000093492601 249037681 /nfs/dbraw/zinc/03/76/81/249037681.db2.gz OHYWQPUJDSVJAL-VIFPVBQESA-N 1 1 263.391 3.236 20 30 CGEDMO COc1ccc2c(c1)CC[N@@H+](CC#Cc1ccccc1)C2 ZINC000167482859 542176761 /nfs/dbraw/zinc/17/67/61/542176761.db2.gz DEPPFQOIWIZDDZ-UHFFFAOYSA-N 1 1 277.367 3.105 20 30 CGEDMO COc1ccc2c(c1)CC[N@H+](CC#Cc1ccccc1)C2 ZINC000167482859 542176767 /nfs/dbraw/zinc/17/67/67/542176767.db2.gz DEPPFQOIWIZDDZ-UHFFFAOYSA-N 1 1 277.367 3.105 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)[C@H]1C ZINC000252127908 377615997 /nfs/dbraw/zinc/61/59/97/377615997.db2.gz KILXHVRCOWBOPJ-KGLIPLIRSA-N 1 1 285.391 3.007 20 30 CGEDMO Cc1ccccc1[C@H]1C[N@@H+](CCCCC#N)[C@@H](C)CO1 ZINC000252481027 377627638 /nfs/dbraw/zinc/62/76/38/377627638.db2.gz SRRPGHNTXCSGIR-DOTOQJQBSA-N 1 1 272.392 3.451 20 30 CGEDMO C[N@H+](CC#Cc1ccc(Cl)cc1)CC[C@@H]1CCCO1 ZINC000342609276 377690611 /nfs/dbraw/zinc/69/06/11/377690611.db2.gz UWTLZALKJXNCMV-INIZCTEOSA-N 1 1 277.795 3.192 20 30 CGEDMO C[N@@H+](CCNc1ccc(F)cc1C#N)C1CCCCC1 ZINC000574968434 377731672 /nfs/dbraw/zinc/73/16/72/377731672.db2.gz HAQJWLSVYBSOQA-UHFFFAOYSA-N 1 1 275.371 3.374 20 30 CGEDMO Cc1ccnc([C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)c1 ZINC000574769050 377708496 /nfs/dbraw/zinc/70/84/96/377708496.db2.gz RIHSHVOHTKOBNT-INIZCTEOSA-N 1 1 295.361 3.390 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000342724692 377759022 /nfs/dbraw/zinc/75/90/22/377759022.db2.gz FCFNZODQVPSVKW-LBPRGKRZSA-N 1 1 280.799 3.483 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000342758649 377774758 /nfs/dbraw/zinc/77/47/58/377774758.db2.gz VWYIKACFOPUBNN-QZTJIDSGSA-N 1 1 284.403 3.001 20 30 CGEDMO N#CC1(C[N@H+]2CCCC[C@@H]2Cc2ccccc2)CC1 ZINC000343312798 377950083 /nfs/dbraw/zinc/95/00/83/377950083.db2.gz DGWZDBICMJSYIV-MRXNPFEDSA-N 1 1 254.377 3.387 20 30 CGEDMO CCC[N@@H+](CC1(C#N)CC1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000343320769 377951681 /nfs/dbraw/zinc/95/16/81/377951681.db2.gz MNCHFSQPKAUPKG-UONOGXRCSA-N 1 1 264.413 3.206 20 30 CGEDMO COc1ccc(C[N@@H+](C)Cc2ccc(CC#N)cc2)cc1O ZINC000343546378 378015740 /nfs/dbraw/zinc/01/57/40/378015740.db2.gz ZWSVEHOLTCSQCI-UHFFFAOYSA-N 1 1 296.370 3.099 20 30 CGEDMO CS[C@@H]1CCCC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000343419351 377976013 /nfs/dbraw/zinc/97/60/13/377976013.db2.gz QCSGXLJCXGZYSV-MRXNPFEDSA-N 1 1 274.433 3.470 20 30 CGEDMO CC[N@@H+](CCc1cccs1)C[C@H](C#N)CCC#N ZINC000264843338 377994194 /nfs/dbraw/zinc/99/41/94/377994194.db2.gz HHDSVEQOTGAITC-ZDUSSCGKSA-N 1 1 261.394 3.056 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2nc(C#N)cs2)[C@@H]2CCCC[C@@H]12 ZINC000575844300 377995124 /nfs/dbraw/zinc/99/51/24/377995124.db2.gz WNTCASISFBYCLA-KWCYVHTRSA-N 1 1 275.421 3.415 20 30 CGEDMO CCOc1ccc([C@@H](C)[NH2+]CC2(C#N)CC2)cc1OCC ZINC000343591524 378032343 /nfs/dbraw/zinc/03/23/43/378032343.db2.gz ZBYMVCFKMHRQPY-CYBMUJFWSA-N 1 1 288.391 3.438 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000268632169 378083969 /nfs/dbraw/zinc/08/39/69/378083969.db2.gz KQSIWTJTIPPWEZ-WFASDCNBSA-N 1 1 251.345 3.146 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)CCCSC)cc1OC ZINC000343675127 378063059 /nfs/dbraw/zinc/06/30/59/378063059.db2.gz JVFAANNJBMGATG-UHFFFAOYSA-N 1 1 295.448 3.445 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]1c1cccc(OC)c1 ZINC000268529187 378070943 /nfs/dbraw/zinc/07/09/43/378070943.db2.gz FDEOJRNHMUSVIT-DOTOQJQBSA-N 1 1 275.392 3.159 20 30 CGEDMO CC(C)[C@@H](C)[N@@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000578450388 378071014 /nfs/dbraw/zinc/07/10/14/378071014.db2.gz YCEFLEUVCAZENI-RHSMWYFYSA-N 1 1 299.418 3.030 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000268565796 378074747 /nfs/dbraw/zinc/07/47/47/378074747.db2.gz PZXKNICMAYOGQB-AAEUAGOBSA-N 1 1 269.335 3.285 20 30 CGEDMO C[C@@H](O)C[N@@H+](Cc1ccc(CC#N)cc1)C1CCCCC1 ZINC000343561931 378021551 /nfs/dbraw/zinc/02/15/51/378021551.db2.gz XNWCELBECIXWTH-OAHLLOKOSA-N 1 1 286.419 3.268 20 30 CGEDMO C=CC[C@H](CO)CNc1[nH+]ccc2ccc(C)cc21 ZINC000579225078 378140748 /nfs/dbraw/zinc/14/07/48/378140748.db2.gz ZQPUZYWTYFVTQT-ZDUSSCGKSA-N 1 1 256.349 3.140 20 30 CGEDMO CCC(CC)[N@H+](Cc1cnc2c(C#N)cnn2c1)CC(C)C ZINC000578869403 378107342 /nfs/dbraw/zinc/10/73/42/378107342.db2.gz MEEZTEPKYFARLT-UHFFFAOYSA-N 1 1 299.422 3.248 20 30 CGEDMO C=C(Br)C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000269284478 378203076 /nfs/dbraw/zinc/20/30/76/378203076.db2.gz BTPCAQVJJJYXNN-UHFFFAOYSA-N 1 1 296.208 3.480 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000580014643 378216656 /nfs/dbraw/zinc/21/66/56/378216656.db2.gz WVZLKVJAODHUHZ-QGZVFWFLSA-N 1 1 257.377 3.422 20 30 CGEDMO CCC[N@@H+](Cc1ccccc1C(C)(C)C#N)CC(C)(C)O ZINC000269010744 378173600 /nfs/dbraw/zinc/17/36/00/378173600.db2.gz UXGFPCUDSJCNEV-UHFFFAOYSA-N 1 1 288.435 3.471 20 30 CGEDMO N#CC1(C[NH2+][C@@H](c2cccs2)C2(CO)CCC2)CCC1 ZINC000580397930 378248007 /nfs/dbraw/zinc/24/80/07/378248007.db2.gz PAGUWBJRBDIIGM-AWEZNQCLSA-N 1 1 290.432 3.235 20 30 CGEDMO CCCCOC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000345755828 378362470 /nfs/dbraw/zinc/36/24/70/378362470.db2.gz LWZRTXMZANURBC-UHFFFAOYSA-N 1 1 290.382 3.478 20 30 CGEDMO COc1cc(C[N@@H+](Cc2ccccn2)C(C)C)ccc1C#N ZINC000582399308 378311080 /nfs/dbraw/zinc/31/10/80/378311080.db2.gz SNMDKYRGCIONRW-UHFFFAOYSA-N 1 1 295.386 3.372 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC=C(C(F)(F)F)CC2)c1 ZINC000270187823 378319520 /nfs/dbraw/zinc/31/95/20/378319520.db2.gz MYYMLKLLKRKIOB-UHFFFAOYSA-N 1 1 266.266 3.253 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CC=C(C(F)(F)F)CC2)c1 ZINC000270187823 378319522 /nfs/dbraw/zinc/31/95/22/378319522.db2.gz MYYMLKLLKRKIOB-UHFFFAOYSA-N 1 1 266.266 3.253 20 30 CGEDMO C#CC[C@H]([NH2+]Cc1nccn1C(F)F)c1ccccc1 ZINC000270241364 378326032 /nfs/dbraw/zinc/32/60/32/378326032.db2.gz SFKASIOQPJGXMI-ZDUSSCGKSA-N 1 1 275.302 3.132 20 30 CGEDMO C=CCCCCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000583721676 378341773 /nfs/dbraw/zinc/34/17/73/378341773.db2.gz JSHKXMSXNSQEJS-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO C[C@@H](C#N)C[N@H+](C)CCCSCc1ccccc1 ZINC000270613865 378376555 /nfs/dbraw/zinc/37/65/55/378376555.db2.gz ZVRXBFOEWVKHED-AWEZNQCLSA-N 1 1 262.422 3.401 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C)CCCSCc1ccccc1 ZINC000270613865 378376559 /nfs/dbraw/zinc/37/65/59/378376559.db2.gz ZVRXBFOEWVKHED-AWEZNQCLSA-N 1 1 262.422 3.401 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000271057328 378444165 /nfs/dbraw/zinc/44/41/65/378444165.db2.gz RILUMAHYFCLKST-HNNXBMFYSA-N 1 1 273.376 3.254 20 30 CGEDMO C#CCCC[N@@H+]1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000271087074 378450152 /nfs/dbraw/zinc/45/01/52/378450152.db2.gz ZOUVWGWIWQNVII-XJKSGUPXSA-N 1 1 261.340 3.001 20 30 CGEDMO C#CCCC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@H](C)CC ZINC000270991250 378424002 /nfs/dbraw/zinc/42/40/02/378424002.db2.gz DWXZBZSVOPXTOD-CQSZACIVSA-N 1 1 297.402 3.349 20 30 CGEDMO Cc1nc([C@@H](C)[NH2+]Cc2ccc(OCC#N)cc2)cs1 ZINC000271501081 378495913 /nfs/dbraw/zinc/49/59/13/378495913.db2.gz QPXSWPKTOHNFSL-LLVKDONJSA-N 1 1 287.388 3.205 20 30 CGEDMO Cn1cc(C[N@@H+](C)CC(C)(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000272241976 378594425 /nfs/dbraw/zinc/59/44/25/378594425.db2.gz GUXYIDZEDQWVKS-UHFFFAOYSA-N 1 1 296.418 3.437 20 30 CGEDMO C=CC[N@@H+](CCC[C@@H]1CCO1)Cc1cccs1 ZINC000637871507 378608586 /nfs/dbraw/zinc/60/85/86/378608586.db2.gz NVNZZVJFEITKOF-CYBMUJFWSA-N 1 1 251.395 3.305 20 30 CGEDMO CC[C@@H](CO)[N@@H+](CCC(C)(C)C#N)Cc1ccccc1 ZINC000346955778 378698576 /nfs/dbraw/zinc/69/85/76/378698576.db2.gz YPRMMSMMOJUECU-INIZCTEOSA-N 1 1 274.408 3.199 20 30 CGEDMO C=CCOCCC[N@@H+]1C[C@@H](c2ccccc2C)OC[C@H]1C ZINC000348028898 378757696 /nfs/dbraw/zinc/75/76/96/378757696.db2.gz CVROVXOPTVXJGK-AEFFLSMTSA-N 1 1 289.419 3.350 20 30 CGEDMO C=CC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272878649 378716900 /nfs/dbraw/zinc/71/69/00/378716900.db2.gz XIPHUXRREXOHDZ-XYJFISCASA-N 1 1 272.436 3.451 20 30 CGEDMO C=C(CC)C[N@@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000347359167 378717496 /nfs/dbraw/zinc/71/74/96/378717496.db2.gz WFIKYGLTERSGPZ-LSDHHAIUSA-N 1 1 277.433 3.453 20 30 CGEDMO C=CCOCCC[N@@H+]1CCC[C@H]1c1ccccc1OC ZINC000348044544 378764396 /nfs/dbraw/zinc/76/43/96/378764396.db2.gz ZWKHKWDTZUSDFO-INIZCTEOSA-N 1 1 275.392 3.425 20 30 CGEDMO C=CCOCCC[N@@H+]1CCC[C@H]1c1ccc(COC)o1 ZINC000348048582 378766651 /nfs/dbraw/zinc/76/66/51/378766651.db2.gz NAVYFQNFLDPTDW-HNNXBMFYSA-N 1 1 279.380 3.156 20 30 CGEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCOC1 ZINC000346784124 218013097 /nfs/dbraw/zinc/01/30/97/218013097.db2.gz XFDTWTSTJYJJCQ-KRWDZBQOSA-N 1 1 272.392 3.053 20 30 CGEDMO C[C@@H](NCC(C)(C)C#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348223538 378847196 /nfs/dbraw/zinc/84/71/96/378847196.db2.gz TXMQGWXTLQRRHY-NVXWUHKLSA-N 1 1 285.435 3.036 20 30 CGEDMO C=C(C)CC[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000274770705 378892396 /nfs/dbraw/zinc/89/23/96/378892396.db2.gz MPCMNIJZYKMJKK-UHFFFAOYSA-N 1 1 261.365 3.028 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000639264746 379210480 /nfs/dbraw/zinc/21/04/80/379210480.db2.gz FUQNIOYDJMEDDW-KDOFPFPSSA-N 1 1 298.386 3.036 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cccn(C(F)F)c2=O)C1 ZINC000639307947 379259609 /nfs/dbraw/zinc/25/96/09/379259609.db2.gz BEUUBZNUKAZOAA-GFCCVEGCSA-N 1 1 282.334 3.032 20 30 CGEDMO C[C@H](c1ccccc1)[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000349542469 379301065 /nfs/dbraw/zinc/30/10/65/379301065.db2.gz MXQCSEWMMVQYQN-CQSZACIVSA-N 1 1 290.370 3.399 20 30 CGEDMO N#Cc1cc(F)ccc1C[NH+]1CCC(OCC2CC2)CC1 ZINC000374118398 379378711 /nfs/dbraw/zinc/37/87/11/379378711.db2.gz CQBPDCYCIFPMSX-UHFFFAOYSA-N 1 1 288.366 3.088 20 30 CGEDMO C=C(C)C[N@@H+](CCCc1nc(C)no1)Cc1ccccc1 ZINC000279403978 379426209 /nfs/dbraw/zinc/42/62/09/379426209.db2.gz VGZLUMWEURIJIL-UHFFFAOYSA-N 1 1 285.391 3.389 20 30 CGEDMO C=CC[C@@H](C(=O)N1CCC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000376340895 379541536 /nfs/dbraw/zinc/54/15/36/379541536.db2.gz MTGIYINERBPCAD-QZTJIDSGSA-N 1 1 298.430 3.043 20 30 CGEDMO CCCCCCCC[N@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000375932017 379518407 /nfs/dbraw/zinc/51/84/07/379518407.db2.gz MGKCRZSXFZMTGS-RHSMWYFYSA-N 1 1 259.459 3.047 20 30 CGEDMO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000279804539 379521760 /nfs/dbraw/zinc/52/17/60/379521760.db2.gz PLTPTUFTYZIPNL-WBMJQRKESA-N 1 1 292.810 3.337 20 30 CGEDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000279804539 379521761 /nfs/dbraw/zinc/52/17/61/379521761.db2.gz PLTPTUFTYZIPNL-WBMJQRKESA-N 1 1 292.810 3.337 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639790715 379586088 /nfs/dbraw/zinc/58/60/88/379586088.db2.gz DWVFAINOXODAEQ-GOEBONIOSA-N 1 1 279.387 3.221 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccc(OCc2cccnc2)cc1 ZINC000266912628 190289891 /nfs/dbraw/zinc/28/98/91/190289891.db2.gz JLJOQJJXHOAYQK-UHFFFAOYSA-N 1 1 280.371 3.116 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)N(C1CC1)C1CCC(C)CC1 ZINC000351144959 379659925 /nfs/dbraw/zinc/65/99/25/379659925.db2.gz NPCIJKGIUSQALG-UHFFFAOYSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000351608502 379729109 /nfs/dbraw/zinc/72/91/09/379729109.db2.gz NFIXVUCIPRLFCF-GOSISDBHSA-N 1 1 286.419 3.343 20 30 CGEDMO C[C@H]1CC[C@H]([N@@H+](CCO)CCCCC(C)(C)C#N)C1 ZINC000351638955 379733624 /nfs/dbraw/zinc/73/36/24/379733624.db2.gz YUFNEXRMOGZJSD-GJZGRUSLSA-N 1 1 266.429 3.189 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000352384149 379789152 /nfs/dbraw/zinc/78/91/52/379789152.db2.gz RRFXXJUTCMWLEH-WBVHZDCISA-N 1 1 273.376 3.005 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000352384149 379789155 /nfs/dbraw/zinc/78/91/55/379789155.db2.gz RRFXXJUTCMWLEH-WBVHZDCISA-N 1 1 273.376 3.005 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1C[C@H](C)[C@H](C)[C@H]1C ZINC000399682065 379942381 /nfs/dbraw/zinc/94/23/81/379942381.db2.gz RJHFKZONOYXHKO-RWMBFGLXSA-N 1 1 258.365 3.043 20 30 CGEDMO C=C(C)C[N@H+](CCC#CC)Cc1cnn(C(C)C)c1 ZINC000352920787 380040352 /nfs/dbraw/zinc/04/03/52/380040352.db2.gz AEUVTNKZJQPHGB-UHFFFAOYSA-N 1 1 259.397 3.256 20 30 CGEDMO N#CC1(CC[N@@H+]2CCC[C@H]2CN2CCCC2)CCCCC1 ZINC000411227045 380136980 /nfs/dbraw/zinc/13/69/80/380136980.db2.gz ONJWVMHPVUBQEX-KRWDZBQOSA-N 1 1 289.467 3.411 20 30 CGEDMO N#CC1(CC[N@H+]2CCC[C@H]2CN2CCCC2)CCCCC1 ZINC000411227045 380136988 /nfs/dbraw/zinc/13/69/88/380136988.db2.gz ONJWVMHPVUBQEX-KRWDZBQOSA-N 1 1 289.467 3.411 20 30 CGEDMO C[C@H](O)[C@@H]1CCCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411252039 380137000 /nfs/dbraw/zinc/13/70/00/380137000.db2.gz JBZUTVSXAGYLEL-GJZGRUSLSA-N 1 1 264.413 3.086 20 30 CGEDMO C=CC[N@@H+](CCc1cncs1)Cc1cccs1 ZINC000411130916 380130115 /nfs/dbraw/zinc/13/01/15/380130115.db2.gz DGFDRFAFSKNDCE-UHFFFAOYSA-N 1 1 264.419 3.435 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000268283802 190392363 /nfs/dbraw/zinc/39/23/63/190392363.db2.gz QATPNHRRYZNWIN-IAGOWNOFSA-N 1 1 296.370 3.239 20 30 CGEDMO C=CCOc1ccc(C[NH2+][C@@H](CC)c2ccn(C)n2)cc1 ZINC000353843642 380223800 /nfs/dbraw/zinc/22/38/00/380223800.db2.gz JDTVMKOLPZMUJL-INIZCTEOSA-N 1 1 285.391 3.226 20 30 CGEDMO CC(C)n1cc(C[NH2+][C@@H](CCCC#N)c2ccccc2)nn1 ZINC000353912758 380230428 /nfs/dbraw/zinc/23/04/28/380230428.db2.gz GGZKDDFPHUDTBO-KRWDZBQOSA-N 1 1 297.406 3.384 20 30 CGEDMO C=CCc1cc(C[N@H+]2CC[C@@H](C3CC3)C2)cc(OC)c1O ZINC000354105976 380326687 /nfs/dbraw/zinc/32/66/87/380326687.db2.gz GGYFECCVYIEAJZ-MRXNPFEDSA-N 1 1 287.403 3.361 20 30 CGEDMO C[N@H+](Cc1c[nH]nc1-c1ccsc1)CC(C)(C)C#N ZINC000354018878 380281761 /nfs/dbraw/zinc/28/17/61/380281761.db2.gz SESOJVKCHCCZRO-UHFFFAOYSA-N 1 1 274.393 3.120 20 30 CGEDMO C[N@@H+](Cc1c[nH]nc1-c1ccsc1)CC(C)(C)C#N ZINC000354018878 380281766 /nfs/dbraw/zinc/28/17/66/380281766.db2.gz SESOJVKCHCCZRO-UHFFFAOYSA-N 1 1 274.393 3.120 20 30 CGEDMO C[N@H+](Cc1cccc(OC(F)F)c1)CC(C)(C)C#N ZINC000354018401 380282437 /nfs/dbraw/zinc/28/24/37/380282437.db2.gz PSGHDOVRAWGZQO-UHFFFAOYSA-N 1 1 268.307 3.270 20 30 CGEDMO C[N@@H+](Cc1cccc(OC(F)F)c1)CC(C)(C)C#N ZINC000354018401 380282442 /nfs/dbraw/zinc/28/24/42/380282442.db2.gz PSGHDOVRAWGZQO-UHFFFAOYSA-N 1 1 268.307 3.270 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)Cc2ccc[nH]2)cc1OC ZINC000354025905 380285977 /nfs/dbraw/zinc/28/59/77/380285977.db2.gz KNHJITGPQFRVHK-UHFFFAOYSA-N 1 1 286.375 3.220 20 30 CGEDMO C=CCCCN(C)C(=O)[C@@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000354365774 380414826 /nfs/dbraw/zinc/41/48/26/380414826.db2.gz DZMUIQATVBETIX-QGZVFWFLSA-N 1 1 288.435 3.322 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000355141862 380597450 /nfs/dbraw/zinc/59/74/50/380597450.db2.gz YOWIMCLFHFXFNJ-DLBZAZTESA-N 1 1 287.403 3.252 20 30 CGEDMO N#Cc1c(F)cccc1C[N@@H+]1CCSC[C@H]1C1CCC1 ZINC000419373073 380819309 /nfs/dbraw/zinc/81/93/09/380819309.db2.gz MDZJYQPKKCLMFN-INIZCTEOSA-N 1 1 290.407 3.415 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CCSC[C@H]1C1CCC1 ZINC000419373073 380819316 /nfs/dbraw/zinc/81/93/16/380819316.db2.gz MDZJYQPKKCLMFN-INIZCTEOSA-N 1 1 290.407 3.415 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC000420927103 380863284 /nfs/dbraw/zinc/86/32/84/380863284.db2.gz NXJTYWMJHKSPEW-CHWSQXEVSA-N 1 1 253.386 3.005 20 30 CGEDMO Cc1ncccc1OC[C@H]1CCC[N@H+]1CCC(C)(C)C#N ZINC000419394171 380827635 /nfs/dbraw/zinc/82/76/35/380827635.db2.gz RRLJIJJABYVXBB-OAHLLOKOSA-N 1 1 287.407 3.173 20 30 CGEDMO C[C@H](C1CCC1)[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000357047410 381011091 /nfs/dbraw/zinc/01/10/91/381011091.db2.gz VUMQNSHPQOPERR-GFCCVEGCSA-N 1 1 296.374 3.229 20 30 CGEDMO C[C@H]1CC[N@@H+](CCOc2cccc(C#N)c2)CC12CCC2 ZINC000357012132 380987431 /nfs/dbraw/zinc/98/74/31/380987431.db2.gz PXTQKWUXQXNRIN-HNNXBMFYSA-N 1 1 284.403 3.449 20 30 CGEDMO C[C@H](C1CCC1)[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000357023251 380994476 /nfs/dbraw/zinc/99/44/76/380994476.db2.gz LJXZTBAGPVNFIY-GFCCVEGCSA-N 1 1 296.374 3.229 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)Cc2cccc(C)c2C)n1 ZINC000279358084 194399929 /nfs/dbraw/zinc/39/99/29/194399929.db2.gz HBIXFZIJOHVPOE-UHFFFAOYSA-N 1 1 281.403 3.155 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)Cc2cccc(C)c2C)n1 ZINC000279358084 194399931 /nfs/dbraw/zinc/39/99/31/194399931.db2.gz HBIXFZIJOHVPOE-UHFFFAOYSA-N 1 1 281.403 3.155 20 30 CGEDMO CCC[C@@]1(CO)CC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000288784366 197165996 /nfs/dbraw/zinc/16/59/96/197165996.db2.gz KQTDAXATUUROJO-WMLDXEAASA-N 1 1 272.392 3.104 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1c(C)nn(Cc2ccccc2)c1C ZINC000358283828 381300499 /nfs/dbraw/zinc/30/04/99/381300499.db2.gz VMGXJKXJINDAAG-KRWDZBQOSA-N 1 1 296.418 3.330 20 30 CGEDMO CC[C@@H]1[C@@H](C)CC[N@H+]1CCOc1cccc(C#N)c1 ZINC000360469656 381552282 /nfs/dbraw/zinc/55/22/82/381552282.db2.gz VQLDTZARVWXCMH-XJKSGUPXSA-N 1 1 258.365 3.057 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@H]2C2CCOCC2)ccc1C#N ZINC000334852501 207186520 /nfs/dbraw/zinc/18/65/20/207186520.db2.gz OYTLFSKFDPNLPY-SFHVURJKSA-N 1 1 284.403 3.258 20 30 CGEDMO Cn1cc(C[N@@H+](C)[C@@H]2CCCC[C@H]2C(F)(F)F)cc1C#N ZINC000361252579 381664720 /nfs/dbraw/zinc/66/47/20/381664720.db2.gz PGLVZZDTOBVLLZ-ZIAGYGMSSA-N 1 1 299.340 3.450 20 30 CGEDMO C=C1CC[NH+](Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC000361619348 381843376 /nfs/dbraw/zinc/84/33/76/381843376.db2.gz CDFJIKHJJYNRCO-UHFFFAOYSA-N 1 1 286.297 3.175 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cccc(OC(F)(F)F)c1 ZINC000361642117 381853999 /nfs/dbraw/zinc/85/39/99/381853999.db2.gz HIJWUUJROBTVNP-UHFFFAOYSA-N 1 1 289.297 3.220 20 30 CGEDMO C[C@@H]1CCOCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000362234143 381912816 /nfs/dbraw/zinc/91/28/16/381912816.db2.gz GXMZUXQUMXBGRA-CQSZACIVSA-N 1 1 272.392 3.099 20 30 CGEDMO COCC[N@@H+](Cc1ccc(CC#N)cc1)[C@H]1CC[C@H](C)C1 ZINC000362157829 381892294 /nfs/dbraw/zinc/89/22/94/381892294.db2.gz QPXPURZSWGMIED-YJBOKZPZSA-N 1 1 286.419 3.390 20 30 CGEDMO CCSCC[C@H](C)[N@@H+](C)CCOc1ccccc1C#N ZINC000362464055 382004737 /nfs/dbraw/zinc/00/47/37/382004737.db2.gz MREGQDMCBTVZLX-AWEZNQCLSA-N 1 1 292.448 3.401 20 30 CGEDMO N#CCC[N@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000363823981 382257954 /nfs/dbraw/zinc/25/79/54/382257954.db2.gz PTKVTKLUHCZSMI-GFCCVEGCSA-N 1 1 268.282 3.408 20 30 CGEDMO N#CCC[N@@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000363823981 382257961 /nfs/dbraw/zinc/25/79/61/382257961.db2.gz PTKVTKLUHCZSMI-GFCCVEGCSA-N 1 1 268.282 3.408 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000367831711 382358104 /nfs/dbraw/zinc/35/81/04/382358104.db2.gz KCMPYUIQABRAFL-HNNXBMFYSA-N 1 1 264.413 3.065 20 30 CGEDMO C[C@@H]1[C@@H](N2CCCC2)CC[N@@H+]1CCCCC(C)(C)C#N ZINC000367889640 382359758 /nfs/dbraw/zinc/35/97/58/382359758.db2.gz DIIFEZNFSZYAAN-CVEARBPZSA-N 1 1 277.456 3.265 20 30 CGEDMO C[C@@H]1[C@@H](N2CCCC2)CC[N@H+]1CCCCC(C)(C)C#N ZINC000367889640 382359761 /nfs/dbraw/zinc/35/97/61/382359761.db2.gz DIIFEZNFSZYAAN-CVEARBPZSA-N 1 1 277.456 3.265 20 30 CGEDMO C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC2(CC#N)CC2)CC1 ZINC000369706482 382392395 /nfs/dbraw/zinc/39/23/95/382392395.db2.gz KSEQVKQUVMZYNH-DOTOQJQBSA-N 1 1 289.467 3.313 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)c1 ZINC000335367204 208288234 /nfs/dbraw/zinc/28/82/34/208288234.db2.gz DIPXWOMPSNRNJQ-PBHICJAKSA-N 1 1 288.366 3.088 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)c1 ZINC000335367206 208288383 /nfs/dbraw/zinc/28/83/83/208288383.db2.gz DIPXWOMPSNRNJQ-WMLDXEAASA-N 1 1 288.366 3.088 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)o1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000353748548 220300697 /nfs/dbraw/zinc/30/06/97/220300697.db2.gz QQZKMCXMMGQVST-BZUAXINKSA-N 1 1 288.391 3.177 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H](c3ccncc3)C2)ccc1F ZINC000289338614 197302383 /nfs/dbraw/zinc/30/23/83/197302383.db2.gz LPNJQIUKIJQYFF-MRXNPFEDSA-N 1 1 295.361 3.472 20 30 CGEDMO CCC[C@@]1(CO)CC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000288784363 197166067 /nfs/dbraw/zinc/16/60/67/197166067.db2.gz KQTDAXATUUROJO-RHSMWYFYSA-N 1 1 272.392 3.104 20 30 CGEDMO COC[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(C)c2)CC1 ZINC000449782566 533135746 /nfs/dbraw/zinc/13/57/46/533135746.db2.gz ZTJZNAZDZSGSRH-HNNXBMFYSA-N 1 1 272.392 3.115 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1F)[C@@H]1CCCC[C@H]1O ZINC000339868332 542489962 /nfs/dbraw/zinc/48/99/62/542489962.db2.gz WSCLXRSSCPRHOQ-HZPDHXFCSA-N 1 1 263.356 3.117 20 30 CGEDMO C[C@H](O[NH+]=C(N)C1CCCC1)c1ccc(C#N)cc1 ZINC000194627214 262240514 /nfs/dbraw/zinc/24/05/14/262240514.db2.gz XKZYOUUOVCMRBR-NSHDSACASA-N 1 1 257.337 3.098 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCCC[C@H]1c1ccccc1 ZINC000358033995 542576542 /nfs/dbraw/zinc/57/65/42/542576542.db2.gz LSPQVCIYKNXOAI-SFHVURJKSA-N 1 1 298.430 3.414 20 30 CGEDMO C[C@@H]([NH2+]CCN1CCC(C)CC1)c1ccc(C#N)cc1F ZINC000358579638 533393799 /nfs/dbraw/zinc/39/37/99/533393799.db2.gz XASUFGUIIFSAHO-CQSZACIVSA-N 1 1 289.398 3.080 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC(C)(C)C[C@@H]1C ZINC000412047586 533495217 /nfs/dbraw/zinc/49/52/17/533495217.db2.gz SQHKZMCDMMYKMB-LBPRGKRZSA-N 1 1 258.365 3.187 20 30 CGEDMO C[C@H](c1ccco1)[N@@H+](Cc1cc(C#N)n(C)c1)C1CC1 ZINC000191272975 130212570 /nfs/dbraw/zinc/21/25/70/130212570.db2.gz VHNKGHRWNJNGAH-GFCCVEGCSA-N 1 1 269.348 3.215 20 30 CGEDMO CCCn1cc[nH+]c1CCCN(C)c1ccc(C#N)cc1 ZINC000192234754 130398583 /nfs/dbraw/zinc/39/85/83/130398583.db2.gz XRZKOTQQPACUBW-UHFFFAOYSA-N 1 1 282.391 3.234 20 30 CGEDMO C[N@@H+](CCOc1ccccc1C#N)Cc1ccc(F)cc1 ZINC000048554168 392003449 /nfs/dbraw/zinc/00/34/49/392003449.db2.gz XBNSDHPNJQLILR-UHFFFAOYSA-N 1 1 284.334 3.208 20 30 CGEDMO C=CCN(CC[C@H]1CCC[N@@H+]1C)Cc1cccc(C#N)c1 ZINC000089426379 392227629 /nfs/dbraw/zinc/22/76/29/392227629.db2.gz VBGCEHIBUGRKSP-GOSISDBHSA-N 1 1 283.419 3.031 20 30 CGEDMO C=C(C)[C@@H]([NH2+]Cc1c(C)cnn1C)c1ccc(F)c(F)c1 ZINC000285936478 392352556 /nfs/dbraw/zinc/35/25/56/392352556.db2.gz LYOMQGALNHDXQV-MRXNPFEDSA-N 1 1 291.345 3.414 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCc3ccsc3C2)cc1F ZINC000361859279 392346966 /nfs/dbraw/zinc/34/69/66/392346966.db2.gz BSPCYLGEJMFWCD-UHFFFAOYSA-N 1 1 272.348 3.317 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCc3ccsc3C2)cc1F ZINC000361859279 392346972 /nfs/dbraw/zinc/34/69/72/392346972.db2.gz BSPCYLGEJMFWCD-UHFFFAOYSA-N 1 1 272.348 3.317 20 30 CGEDMO CC(C)[C@H]1CCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000109462303 392357888 /nfs/dbraw/zinc/35/78/88/392357888.db2.gz IXKMGNHXVXFJQS-MRXNPFEDSA-N 1 1 258.365 3.057 20 30 CGEDMO CC(C)[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000109462214 392358004 /nfs/dbraw/zinc/35/80/04/392358004.db2.gz QSIBXWURCUCFDU-MRXNPFEDSA-N 1 1 285.391 3.007 20 30 CGEDMO CC(C)[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000109462202 392358144 /nfs/dbraw/zinc/35/81/44/392358144.db2.gz BOBYHBLKWGNFNP-INIZCTEOSA-N 1 1 285.391 3.007 20 30 CGEDMO C=C(C)COc1cc(C[N@H+](C)C[C@@H](C)OC)ccc1OC ZINC000289612029 392426485 /nfs/dbraw/zinc/42/64/85/392426485.db2.gz LGNVJOUNTYCSSQ-CQSZACIVSA-N 1 1 293.407 3.117 20 30 CGEDMO CCCCCCCCNC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366178764 392451204 /nfs/dbraw/zinc/45/12/04/392451204.db2.gz OLXNHHKLOVGNIT-KRWDZBQOSA-N 1 1 295.471 3.084 20 30 CGEDMO C[N@@H+](CCCC(C)(C)C#N)CCC1CCOCC1 ZINC000120621491 392401789 /nfs/dbraw/zinc/40/17/89/392401789.db2.gz LEGLJOMNQPWFQZ-UHFFFAOYSA-N 1 1 252.402 3.065 20 30 CGEDMO C[C@H]1C[N@H+](CCCCC#N)C[C@H](c2ccsc2)O1 ZINC000120996697 392404948 /nfs/dbraw/zinc/40/49/48/392404948.db2.gz IUBDGVPXZNGCSN-GXTWGEPZSA-N 1 1 264.394 3.204 20 30 CGEDMO C[C@H]1C[N@@H+](CCCCC#N)C[C@H](c2ccsc2)O1 ZINC000120996697 392404950 /nfs/dbraw/zinc/40/49/50/392404950.db2.gz IUBDGVPXZNGCSN-GXTWGEPZSA-N 1 1 264.394 3.204 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)N(CC)C1CCCCC1 ZINC000121114763 392408789 /nfs/dbraw/zinc/40/87/89/392408789.db2.gz MUFIZPHAVLHGSH-UHFFFAOYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)Cc1ccccc1Cl ZINC000121123211 392409080 /nfs/dbraw/zinc/40/90/80/392409080.db2.gz TYSOWBUVWGEIQY-ZDUSSCGKSA-N 1 1 253.773 3.099 20 30 CGEDMO C[C@@H]1C[C@H](N(C)CC#Cc2cccc(Cl)c2)CC[N@H+]1C ZINC000154297666 392535447 /nfs/dbraw/zinc/53/54/47/392535447.db2.gz NKFJILQXFUOAIX-RHSMWYFYSA-N 1 1 290.838 3.106 20 30 CGEDMO C=C(C)CNC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000154346656 392535632 /nfs/dbraw/zinc/53/56/32/392535632.db2.gz FHOWCMSBBCHUNF-UHFFFAOYSA-N 1 1 274.408 3.223 20 30 CGEDMO COc1cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)ccc1C#N ZINC000313293902 392665367 /nfs/dbraw/zinc/66/53/67/392665367.db2.gz GIGZOFGUKZLAEA-IYBDPMFKSA-N 1 1 270.376 3.189 20 30 CGEDMO CC(C)CC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)C1CC1 ZINC000315198547 392668075 /nfs/dbraw/zinc/66/80/75/392668075.db2.gz QLARAOHDBAVSSX-UHFFFAOYSA-N 1 1 299.418 3.397 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000374256720 392673140 /nfs/dbraw/zinc/67/31/40/392673140.db2.gz PBLQCXQOZXLMES-OAHLLOKOSA-N 1 1 264.413 3.065 20 30 CGEDMO CCCc1nnc(NC(=O)CC[C@H]2CCCC[N@H+]2C)s1 ZINC000329415492 392680191 /nfs/dbraw/zinc/68/01/91/392680191.db2.gz CVTRDVHXWSGCJL-LLVKDONJSA-N 1 1 296.440 3.343 20 30 CGEDMO Cc1[nH+]cn(Cc2ccccc2C(C)(C)C#N)c1C ZINC000178529169 392680818 /nfs/dbraw/zinc/68/08/18/392680818.db2.gz HDBMWNVTZNMDKJ-UHFFFAOYSA-N 1 1 253.349 3.349 20 30 CGEDMO CC(C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000307774290 392655133 /nfs/dbraw/zinc/65/51/33/392655133.db2.gz LPHZBCQIBHIKLF-INIZCTEOSA-N 1 1 299.418 3.255 20 30 CGEDMO Cc1cc([C@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)nn1C ZINC000334907949 392757760 /nfs/dbraw/zinc/75/77/60/392757760.db2.gz VOSFOHNOIBANOK-GUYCJALGSA-N 1 1 294.402 3.328 20 30 CGEDMO C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1nccn1C ZINC000334923931 392758285 /nfs/dbraw/zinc/75/82/85/392758285.db2.gz XTSQOICXNKLKNP-BLLLJJGKSA-N 1 1 280.375 3.020 20 30 CGEDMO N#C[C@H]1CC[C@H]([N@H+]2CCCN(c3ccccc3F)CC2)C1 ZINC000334325072 392720994 /nfs/dbraw/zinc/72/09/94/392720994.db2.gz FWMGOEFVMONSEN-GJZGRUSLSA-N 1 1 287.382 3.030 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCOCC3(CCCC3)C2)s1 ZINC000375396361 392777132 /nfs/dbraw/zinc/77/71/32/392777132.db2.gz USOJQAHKTDNJJF-UHFFFAOYSA-N 1 1 276.405 3.012 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@H]2CO)cc1Cl ZINC000191185226 392824080 /nfs/dbraw/zinc/82/40/80/392824080.db2.gz CRFOQHCLIXQGPB-SWLSCSKDSA-N 1 1 295.810 3.108 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000338352081 392911296 /nfs/dbraw/zinc/91/12/96/392911296.db2.gz FHFIOZYXJXWTEA-ZIAGYGMSSA-N 1 1 292.427 3.060 20 30 CGEDMO CCOc1ccc(C[N@H+](C[C@@H](C)C#N)C2CC2)cc1 ZINC000338380033 392914317 /nfs/dbraw/zinc/91/43/17/392914317.db2.gz SCFWDXOATUZUDT-ZDUSSCGKSA-N 1 1 258.365 3.209 20 30 CGEDMO CCOc1ccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)cc1 ZINC000338380033 392914323 /nfs/dbraw/zinc/91/43/23/392914323.db2.gz SCFWDXOATUZUDT-ZDUSSCGKSA-N 1 1 258.365 3.209 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)Cc1coc(C)n1 ZINC000647960978 392846236 /nfs/dbraw/zinc/84/62/36/392846236.db2.gz WUTCOCFVWVSMFG-UHFFFAOYSA-N 1 1 256.349 3.214 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1coc(C)n1 ZINC000647960978 392846240 /nfs/dbraw/zinc/84/62/40/392846240.db2.gz WUTCOCFVWVSMFG-UHFFFAOYSA-N 1 1 256.349 3.214 20 30 CGEDMO Cc1cc(F)cc2c1C[N@H+]([C@H]1CC[C@@H](C#N)C1)CC2 ZINC000336575815 392862560 /nfs/dbraw/zinc/86/25/60/392862560.db2.gz XFIRYLIJAXNENL-DOMZBBRYSA-N 1 1 258.340 3.185 20 30 CGEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2cc(C#N)ccn2)C1 ZINC000376176944 392870268 /nfs/dbraw/zinc/87/02/68/392870268.db2.gz ZCWDCLILDOZHIC-RDJZCZTQSA-N 1 1 298.434 3.044 20 30 CGEDMO CC1CC[NH+](C[C@@H]2CCCN([C@H]3CC[C@@H](C#N)C3)C2)CC1 ZINC000338942728 392935529 /nfs/dbraw/zinc/93/55/29/392935529.db2.gz OAWBMOAEZLAIRN-SQNIBIBYSA-N 1 1 289.467 3.123 20 30 CGEDMO COc1c(C)cc(C[N@@H+](C)[C@H]2CC[C@H](C#N)C2)cc1C ZINC000338956308 392937721 /nfs/dbraw/zinc/93/77/21/392937721.db2.gz WVOXANDLWJRZQS-HOCLYGCPSA-N 1 1 272.392 3.436 20 30 CGEDMO C[C@@H]1C[N@@H+](CCOCCC#N)CC[C@@H]1c1ccccc1 ZINC000339005758 392939646 /nfs/dbraw/zinc/93/96/46/392939646.db2.gz WWTQQHZTEKHVEE-WBVHZDCISA-N 1 1 272.392 3.042 20 30 CGEDMO Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](CCOCCC#N)C1 ZINC000339003564 392939713 /nfs/dbraw/zinc/93/97/13/392939713.db2.gz OASOWWDVQAUTNY-JKSUJKDBSA-N 1 1 272.392 3.103 20 30 CGEDMO CC[C@H]1CCCC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459305043 392939849 /nfs/dbraw/zinc/93/98/49/392939849.db2.gz MPMSTJZGHVHQEK-ZDUSSCGKSA-N 1 1 273.336 3.231 20 30 CGEDMO CC[C@H]1CCCC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459305043 392939855 /nfs/dbraw/zinc/93/98/55/392939855.db2.gz MPMSTJZGHVHQEK-ZDUSSCGKSA-N 1 1 273.336 3.231 20 30 CGEDMO C[C@H]1CCC[C@H]([N@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459299693 392939951 /nfs/dbraw/zinc/93/99/51/392939951.db2.gz LEOUCLKXQUKOCK-JSGCOSHPSA-N 1 1 287.363 3.477 20 30 CGEDMO C[C@H]1CCC[C@H]([N@@H+](C)Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459299693 392939956 /nfs/dbraw/zinc/93/99/56/392939956.db2.gz LEOUCLKXQUKOCK-JSGCOSHPSA-N 1 1 287.363 3.477 20 30 CGEDMO C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])CC1CCCC1 ZINC000459324408 392940370 /nfs/dbraw/zinc/94/03/70/392940370.db2.gz KLPSYJQTMXMOFF-UHFFFAOYSA-N 1 1 273.336 3.088 20 30 CGEDMO C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])CC1CCCC1 ZINC000459324408 392940375 /nfs/dbraw/zinc/94/03/75/392940375.db2.gz KLPSYJQTMXMOFF-UHFFFAOYSA-N 1 1 273.336 3.088 20 30 CGEDMO C=CC[N@@H+](CCOCC1CC1)CCc1ccccc1 ZINC000525632738 392940943 /nfs/dbraw/zinc/94/09/43/392940943.db2.gz FMQNSWYSXGOOKV-UHFFFAOYSA-N 1 1 259.393 3.144 20 30 CGEDMO COCC(C)(C)[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000411755133 392986498 /nfs/dbraw/zinc/98/64/98/392986498.db2.gz GOKFXALSILLASS-UHFFFAOYSA-N 1 1 252.402 3.207 20 30 CGEDMO CCN1CC[C@@H]([NH2+]CCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000411702667 392986819 /nfs/dbraw/zinc/98/68/19/392986819.db2.gz ZSQALBIPXKLXDS-CABCVRRESA-N 1 1 295.789 3.118 20 30 CGEDMO CCC[N@H+](CCN1CCCCCC1)[C@@H]1CC[C@H](C#N)C1 ZINC000411737232 392986915 /nfs/dbraw/zinc/98/69/15/392986915.db2.gz PAOPCMZJQZVTIA-DLBZAZTESA-N 1 1 277.456 3.267 20 30 CGEDMO CCC[N@@H+](CCN1CCCCCC1)[C@@H]1CC[C@H](C#N)C1 ZINC000411737232 392986917 /nfs/dbraw/zinc/98/69/17/392986917.db2.gz PAOPCMZJQZVTIA-DLBZAZTESA-N 1 1 277.456 3.267 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC000411983882 392992851 /nfs/dbraw/zinc/99/28/51/392992851.db2.gz LUEHFISHBGSJFU-INIZCTEOSA-N 1 1 272.392 3.470 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000342820109 393008972 /nfs/dbraw/zinc/00/89/72/393008972.db2.gz FYCAMBXVSKSCGB-SJLPKXTDSA-N 1 1 287.403 3.395 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cnc(C(C)(C)C)nc1 ZINC000342848600 393010394 /nfs/dbraw/zinc/01/03/94/393010394.db2.gz DMJKISGFSLNTOD-AWEZNQCLSA-N 1 1 259.397 3.315 20 30 CGEDMO COCC1(C#N)CC[NH+](Cc2ccc(C)c(Cl)c2)CC1 ZINC000342838400 393010921 /nfs/dbraw/zinc/01/09/21/393010921.db2.gz OBSSPZBWBWCQRG-UHFFFAOYSA-N 1 1 292.810 3.401 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)CCCn2ccnc2C)cc1 ZINC000342863358 393011159 /nfs/dbraw/zinc/01/11/59/393011159.db2.gz IFKNAIWIHXRIJI-UHFFFAOYSA-N 1 1 299.418 3.278 20 30 CGEDMO C[C@H](NCC[NH+]1[C@H](C)CCC[C@H]1C)c1ccc(C#N)cc1 ZINC000344068587 393037527 /nfs/dbraw/zinc/03/75/27/393037527.db2.gz HAQFLBRAAYFFDE-OAGGEKHMSA-N 1 1 285.435 3.472 20 30 CGEDMO CC[C@H](C)[C@H](C)[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000268656968 393201074 /nfs/dbraw/zinc/20/10/74/393201074.db2.gz HOXSAEJXYRWVRI-DEYYWGMASA-N 1 1 286.419 3.491 20 30 CGEDMO C[C@@H](NCC[N@@H+]1CCC[C@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000271906983 393255299 /nfs/dbraw/zinc/25/52/99/393255299.db2.gz CLSVGNJBJFAFOH-UONOGXRCSA-N 1 1 289.398 3.080 20 30 CGEDMO C[C@@H](NCC[N@H+]1CCC[C@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000271906983 393255302 /nfs/dbraw/zinc/25/53/02/393255302.db2.gz CLSVGNJBJFAFOH-UONOGXRCSA-N 1 1 289.398 3.080 20 30 CGEDMO C=C(C)C[N@H+](Cc1cnn(CC)c1)Cc1ccccc1 ZINC000355227495 393268954 /nfs/dbraw/zinc/26/89/54/393268954.db2.gz UIMSFVFPGBYAQQ-UHFFFAOYSA-N 1 1 269.392 3.481 20 30 CGEDMO CC(C)N1CCC([NH2+]C2(c3cccc(C#N)c3)CC2)CC1 ZINC000274155870 393280805 /nfs/dbraw/zinc/28/08/05/393280805.db2.gz FTWXVCKFPZRAHL-UHFFFAOYSA-N 1 1 283.419 3.010 20 30 CGEDMO C=CC[N@H+](CC[S@](=O)c1ccccc1)Cc1ccccc1 ZINC000355265498 393281901 /nfs/dbraw/zinc/28/19/01/393281901.db2.gz BLHGXCSFFCNKGI-NRFANRHFSA-N 1 1 299.439 3.482 20 30 CGEDMO C=CC[N@@H+](CC[S@](=O)c1ccccc1)Cc1ccccc1 ZINC000355265498 393281908 /nfs/dbraw/zinc/28/19/08/393281908.db2.gz BLHGXCSFFCNKGI-NRFANRHFSA-N 1 1 299.439 3.482 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000649362296 393404742 /nfs/dbraw/zinc/40/47/42/393404742.db2.gz HKUICXDDXFCTET-CRAIPNDOSA-N 1 1 284.403 3.284 20 30 CGEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)c2ccc(Cl)cc2)C1=O ZINC000281895519 393365858 /nfs/dbraw/zinc/36/58/58/393365858.db2.gz FCJWBULKYVWFEN-IUODEOHRSA-N 1 1 292.810 3.120 20 30 CGEDMO Cc1cc(C[N@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)ccc1C#N ZINC000488171921 393465935 /nfs/dbraw/zinc/46/59/35/393465935.db2.gz PTEFVAHVMRBKGI-IAGOWNOFSA-N 1 1 286.419 3.096 20 30 CGEDMO C[C@H]1CC[C@H]([N@@H+](C)Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000429568285 393484649 /nfs/dbraw/zinc/48/46/49/393484649.db2.gz ZSNIUOMYTXLTBU-WFASDCNBSA-N 1 1 296.374 3.229 20 30 CGEDMO CCc1ccc([C@H](COC)[NH2+]Cc2ccc(C#N)c(C)c2)o1 ZINC000488317261 393486612 /nfs/dbraw/zinc/48/66/12/393486612.db2.gz HOTURYNTIACNJJ-KRWDZBQOSA-N 1 1 298.386 3.499 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000649676293 393538299 /nfs/dbraw/zinc/53/82/99/393538299.db2.gz AOMZNVGZAQCIRE-MRXNPFEDSA-N 1 1 283.371 3.242 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000649676292 393538392 /nfs/dbraw/zinc/53/83/92/393538392.db2.gz AOMZNVGZAQCIRE-INIZCTEOSA-N 1 1 283.371 3.242 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](CCO)CC2)c(Cl)c1 ZINC000421005221 393572215 /nfs/dbraw/zinc/57/22/15/393572215.db2.gz AAHBYINQDVUUMS-ZDUSSCGKSA-N 1 1 292.810 3.196 20 30 CGEDMO Cc1cc(C)c(C#N)c(NCC[N@H+]2CCCC(C)(C)C2)n1 ZINC000443965082 393778241 /nfs/dbraw/zinc/77/82/41/393778241.db2.gz WVBRHDVLHGXTLC-UHFFFAOYSA-N 1 1 286.423 3.104 20 30 CGEDMO COc1ccc(C[N@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)cc1C#N ZINC000449545661 393895220 /nfs/dbraw/zinc/89/52/20/393895220.db2.gz ZEYQWWLXCISBGL-WMZOPIPTSA-N 1 1 282.387 3.187 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCC[C@H]2C2CCC2)cc1 ZINC000446841286 393863078 /nfs/dbraw/zinc/86/30/78/393863078.db2.gz NUVRCGWZZSDXFM-KRWDZBQOSA-N 1 1 257.352 3.442 20 30 CGEDMO CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000453123855 394179639 /nfs/dbraw/zinc/17/96/39/394179639.db2.gz QOHHDSSNNDATCW-QWHCGFSZSA-N 1 1 268.364 3.186 20 30 CGEDMO C=CC[N@H+](Cc1cnc2n1CCC2)CC1CCCCC1 ZINC000667629539 542900196 /nfs/dbraw/zinc/90/01/96/542900196.db2.gz HJYDFAPYHSPNTD-UHFFFAOYSA-N 1 1 273.424 3.398 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1ccnn1CC1CC1 ZINC000667947600 542948587 /nfs/dbraw/zinc/94/85/87/542948587.db2.gz WNNPZTXXFVAUBF-UHFFFAOYSA-N 1 1 285.391 3.117 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCO[C@@](C)(C3CC3)C2)cc1 ZINC000668462931 543015136 /nfs/dbraw/zinc/01/51/36/543015136.db2.gz KXCBDAUREFAZKM-GOSISDBHSA-N 1 1 287.403 3.252 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2ncc(COC)s2)C1 ZINC000668492439 543019995 /nfs/dbraw/zinc/01/99/95/543019995.db2.gz ANRZYINKQRSHJH-LBPRGKRZSA-N 1 1 266.410 3.078 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2ncc(COC)s2)C1 ZINC000668492439 543019998 /nfs/dbraw/zinc/01/99/98/543019998.db2.gz ANRZYINKQRSHJH-LBPRGKRZSA-N 1 1 266.410 3.078 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2nn(C)c(C)c2Cl)C1 ZINC000668494403 543020190 /nfs/dbraw/zinc/02/01/90/543020190.db2.gz ZBKCYGGIIXDWIA-LBPRGKRZSA-N 1 1 267.804 3.170 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2nn(C)c(C)c2Cl)C1 ZINC000668494403 543020192 /nfs/dbraw/zinc/02/01/92/543020192.db2.gz ZBKCYGGIIXDWIA-LBPRGKRZSA-N 1 1 267.804 3.170 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2ccc(-n3cncn3)c(C)c2)C1 ZINC000668494394 543020779 /nfs/dbraw/zinc/02/07/79/543020779.db2.gz YXSDAFPQVCTPTM-INIZCTEOSA-N 1 1 296.418 3.364 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](C)CC2=CCCOC2)c1 ZINC000668567654 543027654 /nfs/dbraw/zinc/02/76/54/543027654.db2.gz LCRMMBSSDBOYKO-UHFFFAOYSA-N 1 1 273.376 3.030 20 30 CGEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H]1CCCOC1 ZINC000671724681 543181296 /nfs/dbraw/zinc/18/12/96/543181296.db2.gz QJJYLXAJOSUKDB-MRXNPFEDSA-N 1 1 277.412 3.021 20 30 CGEDMO C[C@@H](CO)C1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000649800122 397723105 /nfs/dbraw/zinc/72/31/05/397723105.db2.gz KVQQWTMLHFIJPS-AWEZNQCLSA-N 1 1 291.822 3.032 20 30 CGEDMO CC[N@@H+](CC#Cc1ccccc1Cl)C[C@H]1CCOC1 ZINC000676714526 543412146 /nfs/dbraw/zinc/41/21/46/543412146.db2.gz LZCKZUHEFFEUKI-CQSZACIVSA-N 1 1 277.795 3.050 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000677476735 543450717 /nfs/dbraw/zinc/45/07/17/543450717.db2.gz CZQGTSKWDDXHDM-UONOGXRCSA-N 1 1 288.416 3.370 20 30 CGEDMO COCC#CC[NH+](Cc1cccs1)Cc1cccs1 ZINC000677816760 543467246 /nfs/dbraw/zinc/46/72/46/543467246.db2.gz BQACSQBWXSVVQV-UHFFFAOYSA-N 1 1 291.441 3.462 20 30 CGEDMO COCC#CC[N@H+]1Cc2ccccc2C[C@@H]1c1ccccc1 ZINC000677820200 543468181 /nfs/dbraw/zinc/46/81/81/543468181.db2.gz JBZQIPXDRSBNCU-HXUWFJFHSA-N 1 1 291.394 3.436 20 30 CGEDMO COCC[N@@H+](CCC(C)C)Cc1ccc(C#N)cc1 ZINC000063753875 165031740 /nfs/dbraw/zinc/03/17/40/165031740.db2.gz BEBXESLZTFPFHN-UHFFFAOYSA-N 1 1 260.381 3.053 20 30 CGEDMO CCC[N@H+](Cc1ccc(OC)c(C#N)c1)CC1CC1 ZINC000087833242 165189335 /nfs/dbraw/zinc/18/93/35/165189335.db2.gz HCYIVLBDVXLMQY-UHFFFAOYSA-N 1 1 258.365 3.189 20 30 CGEDMO CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)o2)C1 ZINC000093868682 165338497 /nfs/dbraw/zinc/33/84/97/165338497.db2.gz VTBQWUUKUZJMHT-RISCZKNCSA-N 1 1 264.394 3.257 20 30 CGEDMO N#Cc1ccc(F)cc1C[NH+]1CCC2(CCOCC2)CC1 ZINC000284717815 196117178 /nfs/dbraw/zinc/11/71/78/196117178.db2.gz JFUKLKSXHGBSBV-UHFFFAOYSA-N 1 1 288.366 3.090 20 30 CGEDMO C[C@H](CN[C@H](C)c1cccc(C#N)c1)[NH+]1CCCCC1 ZINC000038029131 174019575 /nfs/dbraw/zinc/01/95/75/174019575.db2.gz GEBDYMDZUFTHHS-HUUCEWRRSA-N 1 1 271.408 3.083 20 30 CGEDMO C[C@@H]1C[C@@H](Nc2ccc(C(F)(F)F)cc2C#N)CC[N@H+]1C ZINC000127657759 287292927 /nfs/dbraw/zinc/29/29/27/287292927.db2.gz AAHSWOPVNUYDSM-MFKMUULPSA-N 1 1 297.324 3.472 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)CC1CCCC1 ZINC000070158335 175875842 /nfs/dbraw/zinc/87/58/42/175875842.db2.gz JULUFUPBQVUDTJ-UHFFFAOYSA-N 1 1 285.391 3.009 20 30 CGEDMO N#Cc1csc(C[NH2+]Cc2ccn(C3CCCC3)n2)c1 ZINC000129044165 287322950 /nfs/dbraw/zinc/32/29/50/287322950.db2.gz WDVCWWYMHSHMPT-UHFFFAOYSA-N 1 1 286.404 3.221 20 30 CGEDMO CC[C@H]1CCCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000077012504 177147770 /nfs/dbraw/zinc/14/77/70/177147770.db2.gz YAUFLEAIEQOUJQ-HNNXBMFYSA-N 1 1 258.365 3.353 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1F)[C@@H]1CCO[C@H](C)C1 ZINC000420904642 416563008 /nfs/dbraw/zinc/56/30/08/416563008.db2.gz PSIMOZCADSBTTC-UKRRQHHQSA-N 1 1 263.356 3.381 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000679226518 543604158 /nfs/dbraw/zinc/60/41/58/543604158.db2.gz OMQYJKOCGOEBBN-WMLDXEAASA-N 1 1 277.383 3.332 20 30 CGEDMO CCC#C[C@H](C)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000680401217 543708461 /nfs/dbraw/zinc/70/84/61/543708461.db2.gz JNMMSHYIRPCZDF-XHSDSOJGSA-N 1 1 262.441 3.031 20 30 CGEDMO CCC#C[C@H](C)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000680401217 543708463 /nfs/dbraw/zinc/70/84/63/543708463.db2.gz JNMMSHYIRPCZDF-XHSDSOJGSA-N 1 1 262.441 3.031 20 30 CGEDMO CC(C)(C)[C@@H]1CC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000131348615 287377114 /nfs/dbraw/zinc/37/71/14/287377114.db2.gz GVUBEYPKDPKQDZ-OAHLLOKOSA-N 1 1 272.392 3.305 20 30 CGEDMO C=C(C)C[C@@H](C)c1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1 ZINC000685325479 544063027 /nfs/dbraw/zinc/06/30/27/544063027.db2.gz GBOFHQXJVOGUHM-RLAWYHOSSA-N 1 1 275.396 3.480 20 30 CGEDMO C=CCN1CC[C@@H]([N@@H+]2CCc3ccccc3[C@H]2C(C)C)C1=O ZINC000685002233 544050633 /nfs/dbraw/zinc/05/06/33/544050633.db2.gz CHSSOKWVSVPMDV-QZTJIDSGSA-N 1 1 298.430 3.029 20 30 CGEDMO Cc1cccc2nc(C[NH2+][C@@H]3CCC[C@@H](C#N)C3)[nH]c21 ZINC000336628787 227221386 /nfs/dbraw/zinc/22/13/86/227221386.db2.gz MZTNNEKPDOQSOC-CHWSQXEVSA-N 1 1 268.364 3.043 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([NH2+]Cc2c(F)cc(F)c(F)c2F)C1 ZINC000336632830 227225217 /nfs/dbraw/zinc/22/52/17/227225217.db2.gz JMOJUOGXCVUCIG-HTQZYQBOSA-N 1 1 272.245 3.025 20 30 CGEDMO C=CCCCCC[N@H+](C)CCc1nc(C(C)=O)c(C)[nH]1 ZINC000659948900 419044114 /nfs/dbraw/zinc/04/41/14/419044114.db2.gz XWKYKABWZUFHJL-UHFFFAOYSA-N 1 1 277.412 3.141 20 30 CGEDMO C=CCCn1cc(C[N@H+]2[C@H](C)C[C@H]3CCCC[C@H]32)nn1 ZINC000653559671 419048833 /nfs/dbraw/zinc/04/88/33/419048833.db2.gz NQJXSTDIYDBBAE-IIAWOOMASA-N 1 1 274.412 3.007 20 30 CGEDMO C=CCCn1cc(C[N@H+]2CCCC23CCCCC3)nn1 ZINC000653592810 419057231 /nfs/dbraw/zinc/05/72/31/419057231.db2.gz TXCJURGLICAIDS-UHFFFAOYSA-N 1 1 274.412 3.153 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@H](C)c2cc(C)sc2C)nn1 ZINC000653600837 419058115 /nfs/dbraw/zinc/05/81/15/419058115.db2.gz VJVCJMWIBMLPRS-GFCCVEGCSA-N 1 1 290.436 3.383 20 30 CGEDMO C=CCCn1cc(C[N@@H+](C)C(C)(C)c2ccccc2)nn1 ZINC000653664768 419067727 /nfs/dbraw/zinc/06/77/27/419067727.db2.gz WTNRNHITMZELBC-UHFFFAOYSA-N 1 1 284.407 3.221 20 30 CGEDMO C=CCCn1cc(C[N@H+](C)C(C)(C)c2ccccc2)nn1 ZINC000653664768 419067731 /nfs/dbraw/zinc/06/77/31/419067731.db2.gz WTNRNHITMZELBC-UHFFFAOYSA-N 1 1 284.407 3.221 20 30 CGEDMO CC[N@H+]1CCCN(CC#Cc2ccccc2Cl)[C@H](C)C1 ZINC000660787081 419196220 /nfs/dbraw/zinc/19/62/20/419196220.db2.gz IRWWDOYSOOEBGT-OAHLLOKOSA-N 1 1 290.838 3.108 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000660662694 419179961 /nfs/dbraw/zinc/17/99/61/419179961.db2.gz LLRQXAUCKSDFFM-INIZCTEOSA-N 1 1 250.430 3.151 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000660662694 419179962 /nfs/dbraw/zinc/17/99/62/419179962.db2.gz LLRQXAUCKSDFFM-INIZCTEOSA-N 1 1 250.430 3.151 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2F)C1 ZINC000661378718 419255058 /nfs/dbraw/zinc/25/50/58/419255058.db2.gz KYNMFOMMQPWRFH-ZDUSSCGKSA-N 1 1 276.355 3.052 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2F)C1 ZINC000661378718 419255060 /nfs/dbraw/zinc/25/50/60/419255060.db2.gz KYNMFOMMQPWRFH-ZDUSSCGKSA-N 1 1 276.355 3.052 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2nnc(C(C)C)s2)C1 ZINC000661384091 419255252 /nfs/dbraw/zinc/25/52/52/419255252.db2.gz GUDHDGAPFQMSPV-GFCCVEGCSA-N 1 1 265.426 3.450 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2nnc(C(C)C)s2)C1 ZINC000661384091 419255253 /nfs/dbraw/zinc/25/52/53/419255253.db2.gz GUDHDGAPFQMSPV-GFCCVEGCSA-N 1 1 265.426 3.450 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](CCN2CCC(C)CC2)C1 ZINC000661379984 419256140 /nfs/dbraw/zinc/25/61/40/419256140.db2.gz CPKZOTPCTJQDLJ-INIZCTEOSA-N 1 1 250.430 3.006 20 30 CGEDMO C=CC[C@H]1CCCN(CC[NH+]2CCC(C)CC2)C1 ZINC000661379984 419256142 /nfs/dbraw/zinc/25/61/42/419256142.db2.gz CPKZOTPCTJQDLJ-INIZCTEOSA-N 1 1 250.430 3.006 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000661434914 419259316 /nfs/dbraw/zinc/25/93/16/419259316.db2.gz CUOILFVWJFHHTE-HIFRSBDPSA-N 1 1 261.365 3.134 20 30 CGEDMO C[C@@H](CO)[C@@H]1CCCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000661432480 419259851 /nfs/dbraw/zinc/25/98/51/419259851.db2.gz BMYPLVYIXOZXRU-YOEHRIQHSA-N 1 1 291.822 3.174 20 30 CGEDMO C=C(C)COc1cc(C[NH+]2CC(C(F)F)C2)ccc1OC ZINC000656690965 419203477 /nfs/dbraw/zinc/20/34/77/419203477.db2.gz QYVZZHDLQGXSID-UHFFFAOYSA-N 1 1 297.345 3.347 20 30 CGEDMO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(C(C)C)n1 ZINC000661116023 419231653 /nfs/dbraw/zinc/23/16/53/419231653.db2.gz GXNYTFUCGMPBSM-CHWSQXEVSA-N 1 1 263.385 3.418 20 30 CGEDMO C=CCCn1cc(C[N@H+]2CC[C@H](C3CCCCC3)C2)nn1 ZINC000661577441 419275212 /nfs/dbraw/zinc/27/52/12/419275212.db2.gz AXOXRGSLTFYQMR-INIZCTEOSA-N 1 1 288.439 3.256 20 30 CGEDMO C=CC[N@H+](Cc1nc(-c2ccco2)no1)C(C)(C)C ZINC000661755873 419294936 /nfs/dbraw/zinc/29/49/36/419294936.db2.gz SQWGHVKQDMGALY-UHFFFAOYSA-N 1 1 261.325 3.116 20 30 CGEDMO C=CC[N@@H+](Cc1nc(-c2ccco2)no1)C(C)(C)C ZINC000661755873 419294938 /nfs/dbraw/zinc/29/49/38/419294938.db2.gz SQWGHVKQDMGALY-UHFFFAOYSA-N 1 1 261.325 3.116 20 30 CGEDMO C=CC[N@H+](Cc1cn2c(cccc2C)n1)C(C)(C)C ZINC000661754956 419295128 /nfs/dbraw/zinc/29/51/28/419295128.db2.gz IHIDCCRIYRPLSW-UHFFFAOYSA-N 1 1 257.381 3.429 20 30 CGEDMO COc1ccc(C)nc1NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000330286597 228093399 /nfs/dbraw/zinc/09/33/99/228093399.db2.gz BRCZFWOOCQDSNM-ZDUSSCGKSA-N 1 1 291.395 3.251 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)NCc1ccccc1C ZINC000662078096 419332077 /nfs/dbraw/zinc/33/20/77/419332077.db2.gz AJRCRXUIADNKIV-RYQLBKOJSA-N 1 1 298.430 3.183 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)NCC1CCCCC1 ZINC000662081731 419333424 /nfs/dbraw/zinc/33/34/24/419333424.db2.gz RNYDPJDLUKUCMP-BHYGNILZSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1ccccc1OC ZINC000662081214 419333693 /nfs/dbraw/zinc/33/36/93/419333693.db2.gz VAQAUCLRWRHFAJ-GASCZTMLSA-N 1 1 273.376 3.257 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccc(C)cc1C ZINC000662079594 419333809 /nfs/dbraw/zinc/33/38/09/419333809.db2.gz KQBZQMJXHSBZAM-IYBDPMFKSA-N 1 1 284.403 3.425 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1ccccc1F ZINC000662082034 419333918 /nfs/dbraw/zinc/33/39/18/419333918.db2.gz WTTPNFZGFRRKKR-OKILXGFUSA-N 1 1 261.340 3.388 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1cc(C)cc(C)c1 ZINC000662086006 419334138 /nfs/dbraw/zinc/33/41/38/419334138.db2.gz NWKLVTLZIMGMNM-CALCHBBNSA-N 1 1 284.403 3.425 20 30 CGEDMO C=CCCCN1CC[N@H+](CCCC=C)[C@@H](C)[C@@H]1C ZINC000662225217 419367328 /nfs/dbraw/zinc/36/73/28/419367328.db2.gz KKWSNPLLFXAERV-HOTGVXAUSA-N 1 1 250.430 3.313 20 30 CGEDMO C=CC[N@H+](Cc1ccc(C(C)C)cc(=O)c1O)C1CC1 ZINC000663832318 419730668 /nfs/dbraw/zinc/73/06/68/419730668.db2.gz WUWPQNFMQNSBCH-UHFFFAOYSA-N 1 1 273.376 3.026 20 30 CGEDMO CCOc1cc2c(cc1OCC)C[N@H+](CCCC#N)CC2 ZINC000057622759 260225540 /nfs/dbraw/zinc/22/55/40/260225540.db2.gz QWHHHMXYBOIHJT-UHFFFAOYSA-N 1 1 288.391 3.146 20 30 CGEDMO CCOc1cc2c(cc1OCC)C[N@@H+](CCCC#N)CC2 ZINC000057622759 260225541 /nfs/dbraw/zinc/22/55/41/260225541.db2.gz QWHHHMXYBOIHJT-UHFFFAOYSA-N 1 1 288.391 3.146 20 30 CGEDMO N#CCCC[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000076909682 260294850 /nfs/dbraw/zinc/29/48/50/260294850.db2.gz GWMIBLJXPSZWFA-KRWDZBQOSA-N 1 1 265.360 3.197 20 30 CGEDMO N#CCCC[N@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000076909682 260294851 /nfs/dbraw/zinc/29/48/51/260294851.db2.gz GWMIBLJXPSZWFA-KRWDZBQOSA-N 1 1 265.360 3.197 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1CCCC[C@H]1O ZINC000517833144 260310330 /nfs/dbraw/zinc/31/03/30/260310330.db2.gz ULFJDHHISNXXMD-ZWKOTPCHSA-N 1 1 284.403 3.097 20 30 CGEDMO C=CCC1(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)CCCC1 ZINC000449626102 260770406 /nfs/dbraw/zinc/77/04/06/260770406.db2.gz CTOOESOWIDHAGC-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000184089237 262008303 /nfs/dbraw/zinc/00/83/03/262008303.db2.gz CAFWTLNUZBRAJY-LBPRGKRZSA-N 1 1 286.297 3.410 20 30 CGEDMO COCC[C@@H]1CCCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000365256635 262355511 /nfs/dbraw/zinc/35/55/11/262355511.db2.gz OKOFSMXFYHSSON-SFHVURJKSA-N 1 1 271.404 3.177 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)CCC1CCOCC1 ZINC000336794597 262393437 /nfs/dbraw/zinc/39/34/37/262393437.db2.gz DCSXLGYUGCTKII-UHFFFAOYSA-N 1 1 252.402 3.065 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@H]1CCCCO1 ZINC000336838801 262399632 /nfs/dbraw/zinc/39/96/32/262399632.db2.gz RFHZPHYPCCRSAC-KZNAEPCWSA-N 1 1 284.403 3.327 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@H]1CCCCO1 ZINC000336838801 262399634 /nfs/dbraw/zinc/39/96/34/262399634.db2.gz RFHZPHYPCCRSAC-KZNAEPCWSA-N 1 1 284.403 3.327 20 30 CGEDMO C[C@H](c1ccco1)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000264588921 262890994 /nfs/dbraw/zinc/89/09/94/262890994.db2.gz YGSBSXQDUDJJKM-CYBMUJFWSA-N 1 1 270.332 3.375 20 30 CGEDMO CC[N@@H+](CCC(C)(C)C#N)Cc1ccc(OC)cc1OC ZINC000272058305 263001744 /nfs/dbraw/zinc/00/17/44/263001744.db2.gz VZIOYAUTHNSLER-UHFFFAOYSA-N 1 1 290.407 3.466 20 30 CGEDMO CC1(C#N)CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000272604459 263007314 /nfs/dbraw/zinc/00/73/14/263007314.db2.gz RGMXSJMNJIKGGW-UHFFFAOYSA-N 1 1 272.779 3.317 20 30 CGEDMO C[C@@H]1CCN([C@H]2CC[C@@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000278771821 263050896 /nfs/dbraw/zinc/05/08/96/263050896.db2.gz YUAPAHHLTCBRFR-QRQLOZEOSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C#N)C2)CCN1Cc1ccccc1 ZINC000278771821 263050897 /nfs/dbraw/zinc/05/08/97/263050897.db2.gz YUAPAHHLTCBRFR-QRQLOZEOSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C#N)C2)CCN1Cc1ccccc1 ZINC000278771821 263050898 /nfs/dbraw/zinc/05/08/98/263050898.db2.gz YUAPAHHLTCBRFR-QRQLOZEOSA-N 1 1 297.446 3.275 20 30 CGEDMO COCC[N@@H+](CCCCC(C)(C)C#N)Cc1cccnc1 ZINC000278921235 263051871 /nfs/dbraw/zinc/05/18/71/263051871.db2.gz WQHLNASFSZQSJW-UHFFFAOYSA-N 1 1 289.423 3.250 20 30 CGEDMO Cc1ccc([C@@H]([NH2+]CCCC#N)c2ccccn2)cc1 ZINC000280158536 263059462 /nfs/dbraw/zinc/05/94/62/263059462.db2.gz RWUDGYPHOSELGI-QGZVFWFLSA-N 1 1 265.360 3.373 20 30 CGEDMO CSCCC[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000281418807 263068739 /nfs/dbraw/zinc/06/87/39/263068739.db2.gz YUJSQECIIDTNRO-UHFFFAOYSA-N 1 1 291.464 3.221 20 30 CGEDMO C[C@H]1c2ccc(Cl)n2CC[N@@H+]1CCCCC#N ZINC000283882468 263084788 /nfs/dbraw/zinc/08/47/88/263084788.db2.gz DYFDHPOWKAUYCM-NSHDSACASA-N 1 1 251.761 3.212 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000340192930 263087501 /nfs/dbraw/zinc/08/75/01/263087501.db2.gz UODAVKLPXZEFRT-NEPJUHHUSA-N 1 1 292.345 3.094 20 30 CGEDMO CN1CC[N@@H+](CC(C)(C)CCC#N)C[C@@H]1Cc1ccccc1 ZINC000285090611 263090114 /nfs/dbraw/zinc/09/01/14/263090114.db2.gz MSAPEFZHTFUVLS-SFHVURJKSA-N 1 1 299.462 3.175 20 30 CGEDMO C[N@@H+]1CC[C@H](NCC2(CC#N)CC2)C[C@@H]1c1ccccc1 ZINC000340375514 263121206 /nfs/dbraw/zinc/12/12/06/263121206.db2.gz JNCSEUKNNPCGRZ-DLBZAZTESA-N 1 1 283.419 3.105 20 30 CGEDMO C[N@H+]1CC[C@H](NCC2(CC#N)CC2)C[C@@H]1c1ccccc1 ZINC000340375514 263121207 /nfs/dbraw/zinc/12/12/07/263121207.db2.gz JNCSEUKNNPCGRZ-DLBZAZTESA-N 1 1 283.419 3.105 20 30 CGEDMO Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CCOCCC#N)o1 ZINC000292925898 263136603 /nfs/dbraw/zinc/13/66/03/263136603.db2.gz YNLUZVGMEIXUKL-HIFRSBDPSA-N 1 1 276.380 3.291 20 30 CGEDMO C[C@H]1C[C@@H]1c1ccc(C[N@@H+](CCOCCC#N)C2CC2)o1 ZINC000293441006 263140588 /nfs/dbraw/zinc/14/05/88/263140588.db2.gz JXFBIAIDFFCSGP-BBRMVZONSA-N 1 1 288.391 3.298 20 30 CGEDMO Cc1cc(C)c2c(c1)C[N@@H+]([C@@H]1CC[C@H](C#N)C1)CC2 ZINC000294574548 263163855 /nfs/dbraw/zinc/16/38/55/263163855.db2.gz MGXDOTDTFRGQKI-GOEBONIOSA-N 1 1 254.377 3.354 20 30 CGEDMO CC[N@@H+](Cc1ccc(OC)cc1OC)[C@@H]1CC[C@@H](C#N)C1 ZINC000298027856 263214308 /nfs/dbraw/zinc/21/43/08/263214308.db2.gz FBUUGIGERABNBP-UKRRQHHQSA-N 1 1 288.391 3.218 20 30 CGEDMO CCc1ccc([C@@H]2C[N@@H+]([C@@H](C)CCC#N)CCO2)cc1 ZINC000298656820 263223516 /nfs/dbraw/zinc/22/35/16/263223516.db2.gz XTSYGLMMDLNNLX-YOEHRIQHSA-N 1 1 272.392 3.315 20 30 CGEDMO CCc1ccc([C@@H]2C[N@H+]([C@@H](C)CCC#N)CCO2)cc1 ZINC000298656820 263223517 /nfs/dbraw/zinc/22/35/17/263223517.db2.gz XTSYGLMMDLNNLX-YOEHRIQHSA-N 1 1 272.392 3.315 20 30 CGEDMO CCCCOc1ccc([C@H](C)[NH2+]CCC#N)cc1OC ZINC000299732587 263253751 /nfs/dbraw/zinc/25/37/51/263253751.db2.gz XSSGOFADLBSRGG-ZDUSSCGKSA-N 1 1 276.380 3.438 20 30 CGEDMO C=CCC(C)(C)c1noc([C@@H]2CCCc3[nH+]ccn32)n1 ZINC000340827753 263308161 /nfs/dbraw/zinc/30/81/61/263308161.db2.gz PMCBQRCJIZNEDU-NSHDSACASA-N 1 1 272.352 3.046 20 30 CGEDMO COCC1(C#N)CC[NH+](Cc2ccc(C)cc2Cl)CC1 ZINC000341978417 263369658 /nfs/dbraw/zinc/36/96/58/263369658.db2.gz ACDHLGQJPFFZRZ-UHFFFAOYSA-N 1 1 292.810 3.401 20 30 CGEDMO C=C1CC[NH+](CC(=O)N(Cc2ccc(C)cc2)C2CC2)CC1 ZINC000341991603 263382158 /nfs/dbraw/zinc/38/21/58/263382158.db2.gz BDGIQLWFGYOTJT-UHFFFAOYSA-N 1 1 298.430 3.138 20 30 CGEDMO N#C[C@H]1CC[C@@H]([NH2+]Cc2cc(-c3ccccc3)on2)C1 ZINC000425953614 264071101 /nfs/dbraw/zinc/07/11/01/264071101.db2.gz SVYAIUAEWQPCLO-GXTWGEPZSA-N 1 1 267.332 3.123 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+](C)C[C@H]1CCCCO1 ZINC000127321598 264248379 /nfs/dbraw/zinc/24/83/79/264248379.db2.gz LWDRMCWQWLJAOS-MRXNPFEDSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CCSc1ccccc1NC(=O)C[N@H+]1CCC[C@H]1C ZINC000072875645 264272494 /nfs/dbraw/zinc/27/24/94/264272494.db2.gz IZSOEJXPAQFGOX-CYBMUJFWSA-N 1 1 290.432 3.388 20 30 CGEDMO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1C ZINC000072875645 264272497 /nfs/dbraw/zinc/27/24/97/264272497.db2.gz IZSOEJXPAQFGOX-CYBMUJFWSA-N 1 1 290.432 3.388 20 30 CGEDMO C=C(C)CN1CCC([NH2+]Cc2cc(F)cc(F)c2)CC1 ZINC000162044241 264306096 /nfs/dbraw/zinc/30/60/96/264306096.db2.gz BWFNDSPCBOYNDO-UHFFFAOYSA-N 1 1 280.362 3.095 20 30 CGEDMO C=CCOc1cccc(C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)c1 ZINC000130640185 264359296 /nfs/dbraw/zinc/35/92/96/264359296.db2.gz VUANIFDCXLYDSS-RDJZCZTQSA-N 1 1 288.435 3.166 20 30 CGEDMO C=CCOc1cccc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000130640185 264359299 /nfs/dbraw/zinc/35/92/99/264359299.db2.gz VUANIFDCXLYDSS-RDJZCZTQSA-N 1 1 288.435 3.166 20 30 CGEDMO C=CCOc1cccc(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000130640185 264359301 /nfs/dbraw/zinc/35/93/01/264359301.db2.gz VUANIFDCXLYDSS-RDJZCZTQSA-N 1 1 288.435 3.166 20 30 CGEDMO C[C@@H]1CCC[C@H]([N@@H+](C)CCOc2ccc(C#N)cc2)C1 ZINC000042373846 270032958 /nfs/dbraw/zinc/03/29/58/270032958.db2.gz LJSVWJKGDMXQLQ-ZBFHGGJFSA-N 1 1 272.392 3.448 20 30 CGEDMO Clc1cccc(C#CC[N@H+]2CC[C@]3(C2)CCCOC3)c1 ZINC000367074929 265168318 /nfs/dbraw/zinc/16/83/18/265168318.db2.gz QQHCKWMQACUUAF-KRWDZBQOSA-N 1 1 289.806 3.194 20 30 CGEDMO C=CC[C@@H](CC)NC(=O)[C@@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000356377968 266105482 /nfs/dbraw/zinc/10/54/82/266105482.db2.gz RNVCBQPCDODDAS-IAGOWNOFSA-N 1 1 288.435 3.368 20 30 CGEDMO C[C@H](C1CCC1)[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000357046872 266238370 /nfs/dbraw/zinc/23/83/70/266238370.db2.gz YHWNGKGEBYPGHP-OAHLLOKOSA-N 1 1 299.418 3.054 20 30 CGEDMO C=CC[N@@H+](CCCc1nc(-c2cccs2)no1)C1CC1 ZINC000357554648 266323348 /nfs/dbraw/zinc/32/33/48/266323348.db2.gz RKMOBNQLKKOIBQ-UHFFFAOYSA-N 1 1 289.404 3.381 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000359071581 266530980 /nfs/dbraw/zinc/53/09/80/266530980.db2.gz LNUOSSYGCNHOMB-WBVHZDCISA-N 1 1 286.419 3.294 20 30 CGEDMO N#CCSCCC[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000368231238 267153557 /nfs/dbraw/zinc/15/35/57/267153557.db2.gz JPKHFGLNVGGHDV-BZUAXINKSA-N 1 1 296.480 3.039 20 30 CGEDMO CCc1cc(OC)ccc1C[NH2+]CC1(C#N)CCC1 ZINC000418141580 267364224 /nfs/dbraw/zinc/36/42/24/267364224.db2.gz LHSSLNIWJFWCCX-UHFFFAOYSA-N 1 1 258.365 3.041 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc(Cl)c(F)c2)CCC1 ZINC000418143066 267365012 /nfs/dbraw/zinc/36/50/12/267365012.db2.gz OOBAGTAMRWPZPS-UHFFFAOYSA-N 1 1 252.720 3.263 20 30 CGEDMO CC(C)CCn1cccc1C[NH2+]CC1(C#N)CCC1 ZINC000418144895 267365976 /nfs/dbraw/zinc/36/59/76/267365976.db2.gz VNEWHQFNYUYMHM-UHFFFAOYSA-N 1 1 259.397 3.318 20 30 CGEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NCC2(C#N)CCC2)C1 ZINC000418136583 267369083 /nfs/dbraw/zinc/36/90/83/267369083.db2.gz CONZLHHCTNZWCG-DOTOQJQBSA-N 1 1 283.419 3.105 20 30 CGEDMO C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]CC2(C#N)CCC2)C1 ZINC000418136583 267369088 /nfs/dbraw/zinc/36/90/88/267369088.db2.gz CONZLHHCTNZWCG-DOTOQJQBSA-N 1 1 283.419 3.105 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000374176936 267758664 /nfs/dbraw/zinc/75/86/64/267758664.db2.gz WRWQMZZNUNGTIN-QXSJWSMHSA-N 1 1 251.414 3.214 20 30 CGEDMO C=CCC[C@@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1ccco1 ZINC000375812005 267907649 /nfs/dbraw/zinc/90/76/49/267907649.db2.gz XINGTSPAJRQWKB-UONOGXRCSA-N 1 1 271.364 3.157 20 30 CGEDMO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353413505 274218182 /nfs/dbraw/zinc/21/81/82/274218182.db2.gz PVSQHVNVQKWBNW-ZRGWGRIASA-N 1 1 297.446 3.256 20 30 CGEDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353413505 274218183 /nfs/dbraw/zinc/21/81/83/274218183.db2.gz PVSQHVNVQKWBNW-ZRGWGRIASA-N 1 1 297.446 3.256 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000192133954 275388721 /nfs/dbraw/zinc/38/87/21/275388721.db2.gz GHVXGOXLQRPNKD-GOSISDBHSA-N 1 1 262.356 3.270 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000347002143 275388757 /nfs/dbraw/zinc/38/87/57/275388757.db2.gz UVNSJAQGRMXAAL-GOSISDBHSA-N 1 1 262.356 3.270 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(C)ncn1 ZINC000292292219 276001687 /nfs/dbraw/zinc/00/16/87/276001687.db2.gz YZEDQLDHIJEULG-UHFFFAOYSA-N 1 1 280.375 3.069 20 30 CGEDMO CCCC[C@H](C[NH3+])N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000423303434 276243004 /nfs/dbraw/zinc/24/30/04/276243004.db2.gz XBWRFNJHFBLWSF-AEFFLSMTSA-N 1 1 285.435 3.433 20 30 CGEDMO C[N@H+]1CCC[C@@H]2CN(c3c(Cl)cccc3C#N)CC[C@@H]21 ZINC000133710484 277069775 /nfs/dbraw/zinc/06/97/75/277069775.db2.gz BFBRFNSEBRCQRV-HIFRSBDPSA-N 1 1 289.810 3.132 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)CC1CCOCC1 ZINC000172007391 335088287 /nfs/dbraw/zinc/08/82/87/335088287.db2.gz YDOPJTWAJKNBIA-UHFFFAOYSA-N 1 1 251.395 3.163 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451705078 278306057 /nfs/dbraw/zinc/30/60/57/278306057.db2.gz LESWJGSMILWKIR-ZSGPHXLJSA-N 1 1 284.403 3.102 20 30 CGEDMO C[C@@H](NCC[N@@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000245954658 278347115 /nfs/dbraw/zinc/34/71/15/278347115.db2.gz XCPAZIYCUMANEK-LSDHHAIUSA-N 1 1 271.408 3.083 20 30 CGEDMO C[C@@H](NCC[N@H+]1CCCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000245954658 278347116 /nfs/dbraw/zinc/34/71/16/278347116.db2.gz XCPAZIYCUMANEK-LSDHHAIUSA-N 1 1 271.408 3.083 20 30 CGEDMO CC[C@@H](N[C@@H](C[NH3+])C1CCCC1)c1ccc(C#N)cc1 ZINC000423499226 280193190 /nfs/dbraw/zinc/19/31/90/280193190.db2.gz IZKBHECXLHQHOC-SJORKVTESA-N 1 1 271.408 3.116 20 30 CGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](CC3CC3)C2)cc1 ZINC000550414717 289076545 /nfs/dbraw/zinc/07/65/45/289076545.db2.gz OTNVRNJTVBKPEF-INIZCTEOSA-N 1 1 297.402 3.009 20 30 CGEDMO N#Cc1ccc2ncc(CNc3cccc4cc[nH+]cc43)n2c1 ZINC000551803136 289133999 /nfs/dbraw/zinc/13/39/99/289133999.db2.gz JBIYHBBLLBEJSC-UHFFFAOYSA-N 1 1 299.337 3.366 20 30 CGEDMO N#Cc1csc(CNc2ccc(C3CCC3)c[nH+]2)n1 ZINC000559353192 289545802 /nfs/dbraw/zinc/54/58/02/289545802.db2.gz QSSZRBDPIRTYJY-UHFFFAOYSA-N 1 1 270.361 3.289 20 30 CGEDMO C=CC[N@@H+](Cc1nccc(C)n1)CC1CCCCC1 ZINC000339661974 328012658 /nfs/dbraw/zinc/01/26/58/328012658.db2.gz URCOCUXXWJKMRC-UHFFFAOYSA-N 1 1 259.397 3.353 20 30 CGEDMO C=CC[N@H+](Cc1nccc(C)n1)CC1CCCCC1 ZINC000339661974 328012660 /nfs/dbraw/zinc/01/26/60/328012660.db2.gz URCOCUXXWJKMRC-UHFFFAOYSA-N 1 1 259.397 3.353 20 30 CGEDMO N#CCCC[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000268398177 328184888 /nfs/dbraw/zinc/18/48/88/328184888.db2.gz TWJJHDHTXPEWAM-HUUCEWRRSA-N 1 1 276.380 3.251 20 30 CGEDMO COc1cc(C)c(C[N@@H+](C)[C@@H]2CC[C@@H](C#N)C2)cc1OC ZINC000278595933 328227896 /nfs/dbraw/zinc/22/78/96/328227896.db2.gz LOQVKAGGCRXKAS-UKRRQHHQSA-N 1 1 288.391 3.136 20 30 CGEDMO CSc1cc(C)ccc1C[NH2+]Cc1ccc(C#N)o1 ZINC000153492384 321721353 /nfs/dbraw/zinc/72/13/53/321721353.db2.gz BCUGUXUXWMOOAW-UHFFFAOYSA-N 1 1 272.373 3.471 20 30 CGEDMO C[C@@H]1Cc2[nH+]cn(Cc3ccc(C#N)s3)c2C[C@H]1C ZINC000563633113 322005086 /nfs/dbraw/zinc/00/50/86/322005086.db2.gz ZHWQLOWZMHWAIT-GHMZBOCLSA-N 1 1 271.389 3.235 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCC23CCCCC3)nc1 ZINC000565156438 322063037 /nfs/dbraw/zinc/06/30/37/322063037.db2.gz IEVJHASHPWMARL-UHFFFAOYSA-N 1 1 255.365 3.252 20 30 CGEDMO N#Cc1ccc(C[N@@H+](CC2CC2)CC2CCC2)c([N+](=O)[O-])c1 ZINC000566306719 322115178 /nfs/dbraw/zinc/11/51/78/322115178.db2.gz WRAIGZZQGPUYQZ-UHFFFAOYSA-N 1 1 299.374 3.479 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC=C(c3ccccn3)C2)c1 ZINC000566540806 322129065 /nfs/dbraw/zinc/12/90/65/322129065.db2.gz BEXQIJIOTGMSDU-UHFFFAOYSA-N 1 1 275.355 3.243 20 30 CGEDMO CC[N@H+](Cc1cccs1)Cc1ccc(C#N)cn1 ZINC000567824649 322178981 /nfs/dbraw/zinc/17/89/81/322178981.db2.gz OTSLSLGTLSORLO-UHFFFAOYSA-N 1 1 257.362 3.037 20 30 CGEDMO CC[N@@H+](Cc1cccs1)Cc1ccc(C#N)cn1 ZINC000567824649 322178984 /nfs/dbraw/zinc/17/89/84/322178984.db2.gz OTSLSLGTLSORLO-UHFFFAOYSA-N 1 1 257.362 3.037 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3ccncc3)C2)cc1F ZINC000570174267 322267021 /nfs/dbraw/zinc/26/70/21/322267021.db2.gz VNXLYBFLTRGNTI-INIZCTEOSA-N 1 1 281.334 3.082 20 30 CGEDMO CC1(C[NH+]2CCN(c3ccc(C#N)cc3Cl)CC2)CC1 ZINC000570655289 322278897 /nfs/dbraw/zinc/27/88/97/322278897.db2.gz SYDSVYNAEBWLEJ-UHFFFAOYSA-N 1 1 289.810 3.134 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000164683267 328433010 /nfs/dbraw/zinc/43/30/10/328433010.db2.gz RWUMINHGXPKVDE-UHFFFAOYSA-N 1 1 285.160 3.228 20 30 CGEDMO N#CC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000057908178 328496205 /nfs/dbraw/zinc/49/62/05/328496205.db2.gz ONDXJAZYTYWPRW-UHFFFAOYSA-N 1 1 268.282 3.441 20 30 CGEDMO CCCC(N)=[NH+]OCc1ccc(SC)c(OC)c1 ZINC000068778219 327094826 /nfs/dbraw/zinc/09/48/26/327094826.db2.gz LVWAGJLXUMTAQH-UHFFFAOYSA-N 1 1 268.382 3.006 20 30 CGEDMO N#CCSCCC[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000074980899 327122498 /nfs/dbraw/zinc/12/24/98/327122498.db2.gz PELHENBFEIJGHP-MRXNPFEDSA-N 1 1 274.433 3.340 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCSCC#N)C[C@H](c2ccccc2)O1 ZINC000074989129 327122693 /nfs/dbraw/zinc/12/26/93/327122693.db2.gz NAKJXJNCIKQDSH-GDBMZVCRSA-N 1 1 290.432 3.095 20 30 CGEDMO C[C@H]1CC[C@H](C)[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000076149879 327129082 /nfs/dbraw/zinc/12/90/82/327129082.db2.gz WOLFZTPSIRDLHE-HOTGVXAUSA-N 1 1 299.418 3.054 20 30 CGEDMO C=C(C)CN(CC)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000065549791 327227214 /nfs/dbraw/zinc/22/72/14/327227214.db2.gz LGCVEYVQKOBVLT-OAHLLOKOSA-N 1 1 295.471 3.105 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCc2ccccc2C1(C)C ZINC000560971825 327355187 /nfs/dbraw/zinc/35/51/87/327355187.db2.gz ZKGZYDKZGZVQIN-HNNXBMFYSA-N 1 1 259.393 3.107 20 30 CGEDMO C=C(Cl)C[NH2+][C@H](C)c1ccc(Br)nc1 ZINC000290626251 327439472 /nfs/dbraw/zinc/43/94/72/327439472.db2.gz IUIJEOFCNMOKKG-MRVPVSSYSA-N 1 1 275.577 3.247 20 30 CGEDMO CC(C)[C@]1(CO)CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000377733698 329027504 /nfs/dbraw/zinc/02/75/04/329027504.db2.gz YIZBBWIUNHXRJS-QGZVFWFLSA-N 1 1 291.822 3.032 20 30 CGEDMO CC(=O)Nc1cccc2c1CC[N@@H+](CCCC(C)(C)C#N)C2 ZINC000174831082 329163689 /nfs/dbraw/zinc/16/36/89/329163689.db2.gz IMCMQPXSPWDWJQ-UHFFFAOYSA-N 1 1 299.418 3.333 20 30 CGEDMO C[C@@H]1CSCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000179662844 329210834 /nfs/dbraw/zinc/21/08/34/329210834.db2.gz WFANZBWQQNAUBP-CQSZACIVSA-N 1 1 290.432 3.306 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000181245978 329227474 /nfs/dbraw/zinc/22/74/74/329227474.db2.gz QTCYHKIYUJWHHR-ZIAGYGMSSA-N 1 1 292.448 3.308 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1Cl ZINC000181246348 329227480 /nfs/dbraw/zinc/22/74/80/329227480.db2.gz PFXWZTUUWFRALA-NSHDSACASA-N 1 1 266.772 3.175 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1Cl ZINC000181246348 329227481 /nfs/dbraw/zinc/22/74/81/329227481.db2.gz PFXWZTUUWFRALA-NSHDSACASA-N 1 1 266.772 3.175 20 30 CGEDMO C=C(C)C[N@@H+](C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000181287962 329229554 /nfs/dbraw/zinc/22/95/54/329229554.db2.gz IGPLZUBMXZNODQ-UHFFFAOYSA-N 1 1 299.418 3.058 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000181287962 329229555 /nfs/dbraw/zinc/22/95/55/329229555.db2.gz IGPLZUBMXZNODQ-UHFFFAOYSA-N 1 1 299.418 3.058 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000184087697 329255916 /nfs/dbraw/zinc/25/59/16/329255916.db2.gz HETNXBKWAQVNCB-DOTOQJQBSA-N 1 1 288.391 3.026 20 30 CGEDMO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)C#N)[C@H]1Sc1ccccc1 ZINC000571859050 329926670 /nfs/dbraw/zinc/92/66/70/329926670.db2.gz SJZPTQGOJQMYDT-LCGIIJARSA-N 1 1 290.432 3.074 20 30 CGEDMO N#CCCC[C@@H]([NH3+])c1nc(-c2ccccc2Cl)no1 ZINC000424337626 330343753 /nfs/dbraw/zinc/34/37/53/330343753.db2.gz LPSTWYUREYUZGM-LLVKDONJSA-N 1 1 276.727 3.084 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cnc(-c2ccccc2)nc1 ZINC000533239213 330354549 /nfs/dbraw/zinc/35/45/49/330354549.db2.gz LYXGORSPYBPQEP-UHFFFAOYSA-N 1 1 265.360 3.318 20 30 CGEDMO C=C(CC)C[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000536900775 330363521 /nfs/dbraw/zinc/36/35/21/330363521.db2.gz LBPOJUOUXKYWTR-KRWDZBQOSA-N 1 1 259.393 3.325 20 30 CGEDMO C=C[C@@H](CC(=O)NCC[N@H+](CC)CCC)c1ccccc1 ZINC000119057992 330369572 /nfs/dbraw/zinc/36/95/72/330369572.db2.gz YHGNNFFKWBAXRY-INIZCTEOSA-N 1 1 288.435 3.194 20 30 CGEDMO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1CCCCC#N ZINC000088562184 330377258 /nfs/dbraw/zinc/37/72/58/330377258.db2.gz LJPZXPJUGJUIQX-MRXNPFEDSA-N 1 1 271.408 3.411 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000537031187 330387839 /nfs/dbraw/zinc/38/78/39/330387839.db2.gz BOFGWBXRVRSWCD-GDBMZVCRSA-N 1 1 251.414 3.480 20 30 CGEDMO Cc1nc(C2([NH2+]CCCCC(C)(C)C#N)CCCC2)no1 ZINC000444654399 330816947 /nfs/dbraw/zinc/81/69/47/330816947.db2.gz YQQMNZHBQOIFHX-UHFFFAOYSA-N 1 1 290.411 3.457 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000449244913 330909263 /nfs/dbraw/zinc/90/92/63/330909263.db2.gz WVLVUNSGHNVYQM-AWEZNQCLSA-N 1 1 274.364 3.020 20 30 CGEDMO C=C[C@H]1CCCCN1C[C@H]1CCCC[N@@H+]1C(C)C ZINC000450883253 331004634 /nfs/dbraw/zinc/00/46/34/331004634.db2.gz PJTQHZIXLYDGQO-JKSUJKDBSA-N 1 1 250.430 3.290 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1C[C@H]1CCCCN1C(C)C ZINC000450883253 331004635 /nfs/dbraw/zinc/00/46/35/331004635.db2.gz PJTQHZIXLYDGQO-JKSUJKDBSA-N 1 1 250.430 3.290 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1C[C@H]1CCCCN1C(C)C ZINC000450883253 331004636 /nfs/dbraw/zinc/00/46/36/331004636.db2.gz PJTQHZIXLYDGQO-JKSUJKDBSA-N 1 1 250.430 3.290 20 30 CGEDMO N#CC1(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)CCC1 ZINC000450980682 331009928 /nfs/dbraw/zinc/00/99/28/331009928.db2.gz NQHOQLJBSAQMRS-KZNAEPCWSA-N 1 1 296.414 3.185 20 30 CGEDMO C[C@@H]1Cc2[nH+]cn(CC#Cc3ccc(F)cc3)c2C[C@@H]1C ZINC000451003931 331011278 /nfs/dbraw/zinc/01/12/78/331011278.db2.gz VJXJCRWYWDEMDP-KGLIPLIRSA-N 1 1 282.362 3.445 20 30 CGEDMO C[C@H]1Cc2[nH+]cn(CC#Cc3ccc(F)cc3)c2C[C@@H]1C ZINC000451003558 331011358 /nfs/dbraw/zinc/01/13/58/331011358.db2.gz VJXJCRWYWDEMDP-KBPBESRZSA-N 1 1 282.362 3.445 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451555030 331034236 /nfs/dbraw/zinc/03/42/36/331034236.db2.gz ASUUHAXFSNHAMA-CQSZACIVSA-N 1 1 260.337 3.350 20 30 CGEDMO CC[C@@H]1C[N@@H+](CC)CCN1CC#Cc1ccc(Cl)cc1 ZINC000451734351 331040566 /nfs/dbraw/zinc/04/05/66/331040566.db2.gz WPDFNEBTMYPCJG-QGZVFWFLSA-N 1 1 290.838 3.108 20 30 CGEDMO CO[C@@H]1C[C@@H]([N@@H+](C)CC#Cc2ccc(F)cc2)C12CCC2 ZINC000451834121 331044184 /nfs/dbraw/zinc/04/41/84/331044184.db2.gz ADSUKGVKPHUINK-IAGOWNOFSA-N 1 1 287.378 3.067 20 30 CGEDMO COC[C@@H]1CCCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000452036352 331051320 /nfs/dbraw/zinc/05/13/20/331051320.db2.gz ISTLHCLBQLNQRI-INIZCTEOSA-N 1 1 277.795 3.192 20 30 CGEDMO C=CC[C@H](C)[C@@H](C)[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000453298104 331112700 /nfs/dbraw/zinc/11/27/00/331112700.db2.gz ZYXIBWXFKAFNDY-ZNMIVQPWSA-N 1 1 280.456 3.201 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccccc1N1CCO[C@H](C)C1 ZINC000459353611 331277794 /nfs/dbraw/zinc/27/77/94/331277794.db2.gz WZEZEQUGDLQIFI-MRXNPFEDSA-N 1 1 288.435 3.310 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463447761 331348016 /nfs/dbraw/zinc/34/80/16/331348016.db2.gz FNWABLRKVMUQMH-UPJWGTAASA-N 1 1 279.346 3.366 20 30 CGEDMO Clc1ccc(C#CC[N@H+]2CCC[C@H]3COCC[C@@H]32)cc1 ZINC000464849837 331371144 /nfs/dbraw/zinc/37/11/44/331371144.db2.gz JEDXENQNJQVAFG-RDJZCZTQSA-N 1 1 289.806 3.192 20 30 CGEDMO C=CCCCCC[N@H+](CCO)Cc1cccc(F)c1 ZINC000489013370 332037778 /nfs/dbraw/zinc/03/77/78/332037778.db2.gz IWQXNMKYSXTKQN-UHFFFAOYSA-N 1 1 265.372 3.366 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N(C)C1CCC(C)CC1 ZINC000489391854 332049791 /nfs/dbraw/zinc/04/97/91/332049791.db2.gz ATUZTBIEMUUDGT-HWOWSKLDSA-N 1 1 278.440 3.064 20 30 CGEDMO CC#CC[N@@H+](CCC)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490025950 332077265 /nfs/dbraw/zinc/07/72/65/332077265.db2.gz JGQNWDHWOHVIRQ-HNNXBMFYSA-N 1 1 272.392 3.057 20 30 CGEDMO CC#CC[N@H+](CCC)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490025950 332077267 /nfs/dbraw/zinc/07/72/67/332077267.db2.gz JGQNWDHWOHVIRQ-HNNXBMFYSA-N 1 1 272.392 3.057 20 30 CGEDMO C#CC[N@@H+](CCCCC#N)[C@@H]1CCc2ccccc21 ZINC000490763509 332114132 /nfs/dbraw/zinc/11/41/32/332114132.db2.gz SVJFNXHGCLKGMF-QGZVFWFLSA-N 1 1 252.361 3.303 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1coc(-c2ccc(F)cc2)n1 ZINC000491126302 332154025 /nfs/dbraw/zinc/15/40/25/332154025.db2.gz MTKUQLJSDAOQKR-UHFFFAOYSA-N 1 1 272.323 3.324 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1coc(-c2ccc(F)cc2)n1 ZINC000491126302 332154026 /nfs/dbraw/zinc/15/40/26/332154026.db2.gz MTKUQLJSDAOQKR-UHFFFAOYSA-N 1 1 272.323 3.324 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccc(C#N)cc1C(F)(F)F ZINC000491276708 332179383 /nfs/dbraw/zinc/17/93/83/332179383.db2.gz KZKJDWKOADOLPN-UHFFFAOYSA-N 1 1 266.266 3.032 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cccc(-c2ccncc2)c1 ZINC000491427789 332209736 /nfs/dbraw/zinc/20/97/36/332209736.db2.gz MCJLXVQQYJHQSX-CQSZACIVSA-N 1 1 250.345 3.202 20 30 CGEDMO C#C[C@@H](CC)[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000491703735 332297582 /nfs/dbraw/zinc/29/75/82/332297582.db2.gz ICDQJKXWACWWSD-ZDUSSCGKSA-N 1 1 256.374 3.312 20 30 CGEDMO C=CCCC[N@H+](C)Cc1nc2ccccc2nc1C ZINC000172324616 335101392 /nfs/dbraw/zinc/10/13/92/335101392.db2.gz SZUXXWHOEJBUMW-UHFFFAOYSA-N 1 1 255.365 3.336 20 30 CGEDMO N#CC1(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000494492955 332475777 /nfs/dbraw/zinc/47/57/77/332475777.db2.gz IWVZQTOBUJGVGT-ZIAGYGMSSA-N 1 1 294.757 3.202 20 30 CGEDMO N#CCC[N@H+](CCCOc1ccc(F)cc1)CC1CC1 ZINC000174690999 333005739 /nfs/dbraw/zinc/00/57/39/333005739.db2.gz ZVUUQDAXLJKNJQ-UHFFFAOYSA-N 1 1 276.355 3.220 20 30 CGEDMO C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)CCCC(C)(C)C#N ZINC000174857029 333008734 /nfs/dbraw/zinc/00/87/34/333008734.db2.gz WHLHEZPRKQBRTL-ZDUSSCGKSA-N 1 1 297.443 3.161 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000309973335 333051897 /nfs/dbraw/zinc/05/18/97/333051897.db2.gz PDQSNPZFMTVGDU-OALUTQOASA-N 1 1 284.447 3.407 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000309973335 333051898 /nfs/dbraw/zinc/05/18/98/333051898.db2.gz PDQSNPZFMTVGDU-OALUTQOASA-N 1 1 284.447 3.407 20 30 CGEDMO C=CCOc1cccc(CNC[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000521218716 333115351 /nfs/dbraw/zinc/11/53/51/333115351.db2.gz USIHWTJEGCHWIV-KRWDZBQOSA-N 1 1 288.435 3.071 20 30 CGEDMO C=CCOc1cccc(CNC[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000521218716 333115352 /nfs/dbraw/zinc/11/53/52/333115352.db2.gz USIHWTJEGCHWIV-KRWDZBQOSA-N 1 1 288.435 3.071 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000185254399 333137765 /nfs/dbraw/zinc/13/77/65/333137765.db2.gz IWADZIUNXMHQRA-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO CC(C)C[C@H](CO)[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000185348413 333138962 /nfs/dbraw/zinc/13/89/62/333138962.db2.gz DCFFCRMFXFZZDB-MRXNPFEDSA-N 1 1 288.435 3.327 20 30 CGEDMO C=CC[C@H]1[N@H+](Cc2nc(C3CC3)nn2C)CCCC1(C)C ZINC000575864637 335125208 /nfs/dbraw/zinc/12/52/08/335125208.db2.gz RNTAXHZAPPWZIU-CQSZACIVSA-N 1 1 288.439 3.259 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2nc(C3CC3)nn2C)CCCC1(C)C ZINC000575864637 335125209 /nfs/dbraw/zinc/12/52/09/335125209.db2.gz RNTAXHZAPPWZIU-CQSZACIVSA-N 1 1 288.439 3.259 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000250212519 333303490 /nfs/dbraw/zinc/30/34/90/333303490.db2.gz PGDCEWONMOLSMY-SJLPKXTDSA-N 1 1 298.430 3.065 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000576035197 335143845 /nfs/dbraw/zinc/14/38/45/335143845.db2.gz FCJCWHNFMKQICJ-HUUCEWRRSA-N 1 1 264.413 3.207 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000132695544 334001275 /nfs/dbraw/zinc/00/12/75/334001275.db2.gz GJUZPPBHHUXIJZ-CQSZACIVSA-N 1 1 282.428 3.141 20 30 CGEDMO C=CCCN(C)[C@H]1CCCC[C@@H]1[N@@H+](C)CCC=C ZINC000545922471 334006328 /nfs/dbraw/zinc/00/63/28/334006328.db2.gz QMSMATFWFGDSIO-HOTGVXAUSA-N 1 1 250.430 3.313 20 30 CGEDMO Fc1ccc(C#CC[N@@H+]2CCc3ccsc3C2)cc1 ZINC000132926574 334010545 /nfs/dbraw/zinc/01/05/45/334010545.db2.gz YALUIKOCZUOVBE-UHFFFAOYSA-N 1 1 271.360 3.297 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCc3ccsc3C2)cc1 ZINC000132926574 334010547 /nfs/dbraw/zinc/01/05/47/334010547.db2.gz YALUIKOCZUOVBE-UHFFFAOYSA-N 1 1 271.360 3.297 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)Nc1ccc(C)c(C)c1 ZINC000076735542 334088158 /nfs/dbraw/zinc/08/81/58/334088158.db2.gz QWVZRCMTZGWIQI-UHFFFAOYSA-N 1 1 260.381 3.140 20 30 CGEDMO C=CCOCC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000549709240 334202325 /nfs/dbraw/zinc/20/23/25/334202325.db2.gz VYETUVYYWJEMAN-KZNAEPCWSA-N 1 1 271.404 3.457 20 30 CGEDMO C=CCOCC[N@@H+](Cc1ccccc1F)CC(C)C ZINC000549796610 334205112 /nfs/dbraw/zinc/20/51/12/334205112.db2.gz FNKRGOHJVAZRNO-UHFFFAOYSA-N 1 1 265.372 3.486 20 30 CGEDMO CC1(C)C[N@H+]([C@H]2CC[C@H](C#N)C2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000550065338 334212239 /nfs/dbraw/zinc/21/22/39/334212239.db2.gz ZTTRJQIXHRBVRL-IMPIEMTGSA-N 1 1 288.435 3.348 20 30 CGEDMO CC1(C)C[N@H+]([C@@H]2CC[C@H](C#N)C2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000550065339 334212252 /nfs/dbraw/zinc/21/22/52/334212252.db2.gz ZTTRJQIXHRBVRL-JFBPSJKJSA-N 1 1 288.435 3.348 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CC[C@H](C3CC3)C2)c1 ZINC000552343446 334319072 /nfs/dbraw/zinc/31/90/72/334319072.db2.gz BLYCVBRXCJMNTA-INIZCTEOSA-N 1 1 257.377 3.483 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@@H]2CO)cc1Cl ZINC000249038556 334325359 /nfs/dbraw/zinc/32/53/59/334325359.db2.gz CRFOQHCLIXQGPB-WFASDCNBSA-N 1 1 295.810 3.108 20 30 CGEDMO CC[C@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@@H](C)O1 ZINC000252652994 334384059 /nfs/dbraw/zinc/38/40/59/334384059.db2.gz RIBWGOPVASHXNB-ZBFHGGJFSA-N 1 1 286.419 3.487 20 30 CGEDMO Cn1c2ccc(NC[C@@H](C#N)CCC#N)cc2[nH+]c1C1CC1 ZINC000565829535 334600773 /nfs/dbraw/zinc/60/07/73/334600773.db2.gz XGKSTMHOOPVWSW-GFCCVEGCSA-N 1 1 293.374 3.306 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCc3sccc3C2)cc1 ZINC000342704037 335185865 /nfs/dbraw/zinc/18/58/65/335185865.db2.gz KXLZSBNMEKYDJB-UHFFFAOYSA-N 1 1 268.385 3.372 20 30 CGEDMO CC[C@@H](CSC)[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000576825303 335252632 /nfs/dbraw/zinc/25/26/32/335252632.db2.gz FPCDJRXRELZGKT-ZDUSSCGKSA-N 1 1 293.392 3.040 20 30 CGEDMO CC#CC[N@@H+](C)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000577394815 335348004 /nfs/dbraw/zinc/34/80/04/335348004.db2.gz PMSAJUMXHXYXNS-UHFFFAOYSA-N 1 1 289.382 3.456 20 30 CGEDMO FC(F)(F)c1ccc(C#CC[NH2+]Cc2ccccn2)cc1 ZINC000177716327 335381370 /nfs/dbraw/zinc/38/13/70/335381370.db2.gz OBAOQRCDYBDATM-UHFFFAOYSA-N 1 1 290.288 3.242 20 30 CGEDMO N#CC1CC[NH+](Cc2c(C3CC3)nc3sccn23)CC1 ZINC000179924152 335532530 /nfs/dbraw/zinc/53/25/30/335532530.db2.gz RJOHFIZHYSTOAA-UHFFFAOYSA-N 1 1 286.404 3.009 20 30 CGEDMO N#CCC[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000579345179 335736248 /nfs/dbraw/zinc/73/62/48/335736248.db2.gz YCKKBRKEBPWVJY-UHFFFAOYSA-N 1 1 252.720 3.170 20 30 CGEDMO CCCCOc1ccc(C[NH2+]C[C@H](C)C#N)cc1OC ZINC000183839895 335909329 /nfs/dbraw/zinc/90/93/29/335909329.db2.gz XSZHTPNTBTVGFO-CYBMUJFWSA-N 1 1 276.380 3.123 20 30 CGEDMO Cc1c2ccccc2oc1C[NH2+]C[C@H](C#N)CCC#N ZINC000581627450 336114463 /nfs/dbraw/zinc/11/44/63/336114463.db2.gz JXYMTXTYJDGVNN-ZDUSSCGKSA-N 1 1 267.332 3.274 20 30 CGEDMO CC[N@@H+](CCC1CC1)Cc1ccc(C#N)c(OC)c1 ZINC000386077068 336166159 /nfs/dbraw/zinc/16/61/59/336166159.db2.gz KETYZOFYXNZRLD-UHFFFAOYSA-N 1 1 258.365 3.189 20 30 CGEDMO C=CCCCC[N@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000581984592 336184548 /nfs/dbraw/zinc/18/45/48/336184548.db2.gz OTBQISCKYJMCJF-IAGOWNOFSA-N 1 1 277.383 3.143 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)C1CCCCC1 ZINC000425542489 534082098 /nfs/dbraw/zinc/08/20/98/534082098.db2.gz YEIRQBKLBQNNRU-KBXCAEBGSA-N 1 1 286.419 3.492 20 30 CGEDMO C[C@@H]1CC[C@H]([N@@H+](C)CCOc2ccc(C#N)cc2)C1 ZINC000429583349 534246519 /nfs/dbraw/zinc/24/65/19/534246519.db2.gz KDBZIFBBUJABMI-HIFRSBDPSA-N 1 1 258.365 3.057 20 30 CGEDMO C=CC[C@H](C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccccc1 ZINC000190184811 534327966 /nfs/dbraw/zinc/32/79/66/534327966.db2.gz SRHODFTZQZGBLH-LESCRADOSA-N 1 1 298.430 3.088 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000156702658 524656310 /nfs/dbraw/zinc/65/63/10/524656310.db2.gz AQIRBNIOCMDIFC-OKILXGFUSA-N 1 1 258.365 3.200 20 30 CGEDMO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000365263030 534852565 /nfs/dbraw/zinc/85/25/65/534852565.db2.gz BUNOYMLOAQUCHH-QGZVFWFLSA-N 1 1 298.365 3.076 20 30 CGEDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000365263030 534852569 /nfs/dbraw/zinc/85/25/69/534852569.db2.gz BUNOYMLOAQUCHH-QGZVFWFLSA-N 1 1 298.365 3.076 20 30 CGEDMO C=C(C)CC[N@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000352048608 526442127 /nfs/dbraw/zinc/44/21/27/526442127.db2.gz MFUFUDDZHKMDFM-UHFFFAOYSA-N 1 1 255.365 3.378 20 30 CGEDMO C=C(C)CC[N@@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000352048608 526442131 /nfs/dbraw/zinc/44/21/31/526442131.db2.gz MFUFUDDZHKMDFM-UHFFFAOYSA-N 1 1 255.365 3.378 20 30 CGEDMO C=C(C)C[NH+]1CCC(NCc2ccc(F)c(C)c2)CC1 ZINC000106245108 526604531 /nfs/dbraw/zinc/60/45/31/526604531.db2.gz XRNOAQLSYWPODD-UHFFFAOYSA-N 1 1 276.399 3.264 20 30 CGEDMO C=CCOCCC[N@H+](C)Cc1ccccc1OCC ZINC000347961102 526748431 /nfs/dbraw/zinc/74/84/31/526748431.db2.gz GNZABXHXWBFGCB-UHFFFAOYSA-N 1 1 263.381 3.110 20 30 CGEDMO C=CCOCCC[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000348083679 526758235 /nfs/dbraw/zinc/75/82/35/526758235.db2.gz KLWXXACCZLFEHS-UHFFFAOYSA-N 1 1 257.377 3.127 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCSC[C@@H]2C)cc1 ZINC000353497146 526869907 /nfs/dbraw/zinc/86/99/07/526869907.db2.gz CWKLMGHYUOZSTF-ZDUSSCGKSA-N 1 1 263.406 3.189 20 30 CGEDMO C=CCOc1ccccc1C[N@H+](C)Cc1ccoc1 ZINC000352646788 526929190 /nfs/dbraw/zinc/92/91/90/526929190.db2.gz XIGGZZJKIYRFPI-UHFFFAOYSA-N 1 1 257.333 3.476 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+](C)Cc1ccoc1 ZINC000352646788 526929195 /nfs/dbraw/zinc/92/91/95/526929195.db2.gz XIGGZZJKIYRFPI-UHFFFAOYSA-N 1 1 257.333 3.476 20 30 CGEDMO C=CCC[C@H]([NH2+]CCN(CC)CC)c1ccco1 ZINC000356053186 527484205 /nfs/dbraw/zinc/48/42/05/527484205.db2.gz BYFXYLSUKUGHAC-AWEZNQCLSA-N 1 1 250.386 3.218 20 30 CGEDMO CCC1CCC([N@@H+](C)Cc2nc(C#N)cs2)CC1 ZINC000356083894 527842775 /nfs/dbraw/zinc/84/27/75/527842775.db2.gz KJEWQFNZVWPBTL-UHFFFAOYSA-N 1 1 263.410 3.415 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cnc(CC)nc1 ZINC000414372226 528133406 /nfs/dbraw/zinc/13/34/06/528133406.db2.gz PEOQJGZNOZXODJ-UHFFFAOYSA-N 1 1 294.402 3.323 20 30 CGEDMO CC[N@H+](CCC#N)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000347355919 528374331 /nfs/dbraw/zinc/37/43/31/528374331.db2.gz JPQMDPQGFSHYAX-RAXLEYEMSA-N 1 1 273.336 3.234 20 30 CGEDMO CC[N@@H+](CCC#N)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000347355919 528374338 /nfs/dbraw/zinc/37/43/38/528374338.db2.gz JPQMDPQGFSHYAX-RAXLEYEMSA-N 1 1 273.336 3.234 20 30 CGEDMO CCOC1CC(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)C1 ZINC000425538929 528497191 /nfs/dbraw/zinc/49/71/91/528497191.db2.gz SUIJOYFWYULVML-BZOOQXSSSA-N 1 1 272.392 3.366 20 30 CGEDMO CC[C@@H](C)C[N@@H+](CC)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000245425192 535511852 /nfs/dbraw/zinc/51/18/52/535511852.db2.gz SUAMKEGKXXDUFQ-ZIAGYGMSSA-N 1 1 287.407 3.253 20 30 CGEDMO CC[C@@H]([NH2+]Cc1cc(C#N)cs1)c1nccs1 ZINC000093492678 535805333 /nfs/dbraw/zinc/80/53/33/535805333.db2.gz SKRBUEVRSPKBGJ-LLVKDONJSA-N 1 1 263.391 3.317 20 30 CGEDMO Cn1cc(C[N@@H+](C)CCc2ccc(Cl)cc2)cc1C#N ZINC000191288515 536409719 /nfs/dbraw/zinc/40/97/19/536409719.db2.gz PZNXVJBOCPERTN-UHFFFAOYSA-N 1 1 287.794 3.225 20 30 CGEDMO CCCCCCCCCNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000729587694 571924733 /nfs/dbraw/zinc/92/47/33/571924733.db2.gz WHLLXLFDMOFLHN-UHFFFAOYSA-N 1 1 295.471 3.227 20 30 CGEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[NH+]1CCCCCCC1 ZINC000739901179 572426753 /nfs/dbraw/zinc/42/67/53/572426753.db2.gz DVIJERLARKONRQ-MRXNPFEDSA-N 1 1 286.375 3.038 20 30 CGEDMO CCCC(CCc1ccccc1)=NN1CC[NH+](C)CC1 ZINC000740760498 572455646 /nfs/dbraw/zinc/45/56/46/572455646.db2.gz VPUVOLOILICOJM-UHFFFAOYSA-N 1 1 273.424 3.023 20 30 CGEDMO CCCCCCCC[N@@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000740878425 572464910 /nfs/dbraw/zinc/46/49/10/572464910.db2.gz DXKVNHGIDIZRCP-ZQIUZPCESA-N 1 1 259.459 3.188 20 30 CGEDMO CCCCCCCC[N@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000740878425 572464913 /nfs/dbraw/zinc/46/49/13/572464913.db2.gz DXKVNHGIDIZRCP-ZQIUZPCESA-N 1 1 259.459 3.188 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000740877664 572465122 /nfs/dbraw/zinc/46/51/22/572465122.db2.gz WEXDEDJLKFXTCJ-OAHLLOKOSA-N 1 1 266.429 3.044 20 30 CGEDMO CC1(C)CCC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000732984430 572498335 /nfs/dbraw/zinc/49/83/35/572498335.db2.gz UCMOCBBUEBHMSL-UHFFFAOYSA-N 1 1 258.365 3.211 20 30 CGEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)CCC2CCCC2)c1 ZINC000741777063 572526116 /nfs/dbraw/zinc/52/61/16/572526116.db2.gz JIVMKRGVKNQIPT-UHFFFAOYSA-N 1 1 284.403 3.119 20 30 CGEDMO Cc1ccc(C[NH2+]Cc2cc(C#N)ccc2F)cc1[N+](=O)[O-] ZINC000742382029 572572602 /nfs/dbraw/zinc/57/26/02/572572602.db2.gz YDDCADTYWPHCNU-UHFFFAOYSA-N 1 1 299.305 3.204 20 30 CGEDMO C=CC[N@@H+](C[C@H](O)c1cccc(Cl)c1)C(C)C ZINC000743841105 572687070 /nfs/dbraw/zinc/68/70/70/572687070.db2.gz FAHYTNQCVOAFAM-AWEZNQCLSA-N 1 1 253.773 3.270 20 30 CGEDMO C=CC[N@H+](CCCCC)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735419717 572720444 /nfs/dbraw/zinc/72/04/44/572720444.db2.gz ZDBHNCZGVBSYKP-UHFFFAOYSA-N 1 1 285.395 3.045 20 30 CGEDMO C=CCCCOC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000735531863 572728687 /nfs/dbraw/zinc/72/86/87/572728687.db2.gz HEJFKVWSOXJVQW-UHFFFAOYSA-N 1 1 288.391 3.116 20 30 CGEDMO C=C(Cl)CN(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000747531163 572934450 /nfs/dbraw/zinc/93/44/50/572934450.db2.gz DXHGQSIMZBWFDM-INIZCTEOSA-N 1 1 278.827 3.335 20 30 CGEDMO N#Cc1cccnc1NCCNc1cc[nH+]c2ccsc21 ZINC000749274968 572991461 /nfs/dbraw/zinc/99/14/61/572991461.db2.gz XCIZLJFQYODZEC-UHFFFAOYSA-N 1 1 295.371 3.087 20 30 CGEDMO C=CCC[N@@H+](C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000749493956 573014015 /nfs/dbraw/zinc/01/40/15/573014015.db2.gz SULZRXBUVAAXCI-CQSZACIVSA-N 1 1 280.412 3.036 20 30 CGEDMO C#Cc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](CCC)CC2)cc1 ZINC000948665466 613166265 /nfs/dbraw/zinc/16/62/65/613166265.db2.gz KTIWZMZQERHFGD-SFHVURJKSA-N 1 1 298.430 3.004 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC2(CN(C(=O)c3ccccc3)C2)C1 ZINC000981590254 613250444 /nfs/dbraw/zinc/25/04/44/613250444.db2.gz OVHCEYJQINXVEI-UHFFFAOYSA-N 1 1 298.430 3.191 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)CC2CCCCC2)CC1 ZINC000980672468 613251883 /nfs/dbraw/zinc/25/18/83/613251883.db2.gz PZKFHPVRQFLXEO-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@]2(C)C(C)C)CC1 ZINC000983430866 613253604 /nfs/dbraw/zinc/25/36/04/613253604.db2.gz RHBRTGROEOHSCU-WMZOPIPTSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)=C2CCC2)C1 ZINC000966003803 613263559 /nfs/dbraw/zinc/26/35/59/613263559.db2.gz LREAHBXJEPAGQE-PBHICJAKSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C=C2CCC2)C[C@@H]1C ZINC000947191613 613265944 /nfs/dbraw/zinc/26/59/44/613265944.db2.gz VILOVVUQMORTBF-GOEBONIOSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2CC(C)C2)C(C)(C)C1 ZINC000940665799 613266097 /nfs/dbraw/zinc/26/60/97/613266097.db2.gz ZEWBVWUZOWUJJG-UYSNPLJNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)C2(CC)CCCC2)C1 ZINC000972645755 613283158 /nfs/dbraw/zinc/28/31/58/613283158.db2.gz XNXMSAPGDSHIFU-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)C2(C3CCC3)CCC2)C1 ZINC000972023880 613283221 /nfs/dbraw/zinc/28/32/21/613283221.db2.gz LRRXRRPRNZPGEA-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)C2CCCCCC2)C1 ZINC000971178776 613283262 /nfs/dbraw/zinc/28/32/62/613283262.db2.gz YBDXEGYENKOCDR-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)CCC2CCCC2)CC1 ZINC000980651329 613308316 /nfs/dbraw/zinc/30/83/16/613308316.db2.gz GWQPXARMTGTHEF-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)CC2CCCCC2)CC1 ZINC000980667680 613308331 /nfs/dbraw/zinc/30/83/31/613308331.db2.gz WZWFQCXFDXDGFI-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)[C@@H]2CCCC3(CC3)C2)CC1 ZINC000981157197 613309342 /nfs/dbraw/zinc/30/93/42/613309342.db2.gz WBWSLXKHJVUJJE-MRXNPFEDSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@]2(CC)C(C)C)CC1 ZINC000983389439 613311170 /nfs/dbraw/zinc/31/11/70/613311170.db2.gz JZPUNTRZFSGCAV-SJLPKXTDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)C(C)C)CC2)C1 ZINC000961332151 613314507 /nfs/dbraw/zinc/31/45/07/613314507.db2.gz QMZGONTZTATLEA-KRWDZBQOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2CCC=CCC2)C1 ZINC000968659462 613325344 /nfs/dbraw/zinc/32/53/44/613325344.db2.gz GDBGMLDKBPBWOU-NVXWUHKLSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2=CCCCCC2)C[C@H]1C ZINC000947239644 613327004 /nfs/dbraw/zinc/32/70/04/613327004.db2.gz GLZQVXMRSKWAHF-NVXWUHKLSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2CCCCCC2)[C@H](C)C1 ZINC000941869215 613327157 /nfs/dbraw/zinc/32/71/57/613327157.db2.gz HLYNAXNNDZZNDN-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2CC3(CCC3)C2)C[C@H]1C ZINC000947624935 613327358 /nfs/dbraw/zinc/32/73/58/613327358.db2.gz ONFQPYOZJXGLJL-GDBMZVCRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2csc(C)c2)C1 ZINC000968423322 613334414 /nfs/dbraw/zinc/33/44/14/613334414.db2.gz RACBMWXWIBSBBF-SWLSCSKDSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC2CCCC2)C[C@@H]1C ZINC000947000246 613334931 /nfs/dbraw/zinc/33/49/31/613334931.db2.gz GMUGHGKNDQWNRH-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cccc(C)c2)[C@@H](C)C1 ZINC000941777100 613336333 /nfs/dbraw/zinc/33/63/33/613336333.db2.gz MOJTXURJGQZTEK-RDJZCZTQSA-N 1 1 286.419 3.011 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)[C@]2(C)CC=CCC2)C(C)(C)C1 ZINC000974618152 613341678 /nfs/dbraw/zinc/34/16/78/613341678.db2.gz CVILOGYDJXVLKY-MAUKXSAKSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CCC[N@@H+](CCC2CC2)CC1 ZINC000981242523 613367608 /nfs/dbraw/zinc/36/76/08/613367608.db2.gz LDMFXDLNNHXIID-UHFFFAOYSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC2CCCC2)C[C@@H]1C ZINC000947014503 613378283 /nfs/dbraw/zinc/37/82/83/613378283.db2.gz WKNLAELMQYJPBP-ZFWWWQNUSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC2CCCC2)C[C@@H]1C ZINC000947014503 613378284 /nfs/dbraw/zinc/37/82/84/613378284.db2.gz WKNLAELMQYJPBP-ZFWWWQNUSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C1CC(C)(C(=O)N(C)[C@H]2CCC[N@H+](CCC)CC2)C1 ZINC000948759055 613393127 /nfs/dbraw/zinc/39/31/27/613393127.db2.gz QKJJNBPLVOOIAF-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CC3CCC3)[C@H](C)C2)C1 ZINC000947701940 613401107 /nfs/dbraw/zinc/40/11/07/613401107.db2.gz HKUNCNDWUHWIPS-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CC(C)C1 ZINC000960793029 613432306 /nfs/dbraw/zinc/43/23/06/613432306.db2.gz XGUCPGAXTPGJLT-UYSNPLJNSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)c2csc(Cl)c2)C1 ZINC000952400265 613481000 /nfs/dbraw/zinc/48/10/00/613481000.db2.gz KYOLBWMSJCMEFW-UHFFFAOYSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CCC[N@@H+]1CCCC2(CN(C(=O)C(C)(CC)CC)C2)C1 ZINC000982157117 613488128 /nfs/dbraw/zinc/48/81/28/613488128.db2.gz DRRCCEWTGKIRTH-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)c2sc(C)cc2C)CC1 ZINC000981250826 613498611 /nfs/dbraw/zinc/49/86/11/613498611.db2.gz LTIOGBUSHROGEJ-UHFFFAOYSA-N 1 1 292.448 3.089 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)C2(C)CC(=C)C2)CC1 ZINC000948758631 613501047 /nfs/dbraw/zinc/50/10/47/613501047.db2.gz JQDYFMOBRMPYNI-INIZCTEOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2csc(C)c2)C1 ZINC000968423084 613516618 /nfs/dbraw/zinc/51/66/18/613516618.db2.gz MWXDNMJHZALHIA-DOMZBBRYSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)oc2C)C[C@@H]1C ZINC000947031925 613523795 /nfs/dbraw/zinc/52/37/95/613523795.db2.gz IOMWGQFKUXFNPO-SWLSCSKDSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2csc(C)c2)C[C@@H]1C ZINC000947811171 613527422 /nfs/dbraw/zinc/52/74/22/613527422.db2.gz XADVNKYMVYWKNJ-SWLSCSKDSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C2CCC2)C(C)(C)C1 ZINC000940835856 613537328 /nfs/dbraw/zinc/53/73/28/613537328.db2.gz DZLCEBCAFJMWAE-ZBFHGGJFSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)c2ccsc2C)[C@@H](C)C1 ZINC000942034355 613539619 /nfs/dbraw/zinc/53/96/19/613539619.db2.gz WWMCNMDBYYCOEA-WFASDCNBSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)cc2)C(C)(C)C1 ZINC000977509075 613545908 /nfs/dbraw/zinc/54/59/08/613545908.db2.gz HGHAOCDMDNTFSU-MRXNPFEDSA-N 1 1 286.419 3.011 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)CC2CCCC2)C1 ZINC000972471218 613614787 /nfs/dbraw/zinc/61/47/87/613614787.db2.gz CJVOAZSOVDGNQO-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1c(C)coc1C ZINC000968842969 613684208 /nfs/dbraw/zinc/68/42/08/613684208.db2.gz GGGXCJNSUGDKLN-OAHLLOKOSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cccc(C)c1 ZINC000968733919 613684860 /nfs/dbraw/zinc/68/48/60/613684860.db2.gz XSJIEZKHRYPOJK-QGZVFWFLSA-N 1 1 286.419 3.155 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCC2CC2)C1 ZINC000963279503 613702853 /nfs/dbraw/zinc/70/28/53/613702853.db2.gz RUKNCXMUELCNQQ-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2occc2Cl)CC1 ZINC000948743024 613703009 /nfs/dbraw/zinc/70/30/09/613703009.db2.gz NGLXIIXDLCKJKO-GFCCVEGCSA-N 1 1 296.798 3.046 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C2CCCC2)C[C@H]1C ZINC000947400159 613740675 /nfs/dbraw/zinc/74/06/75/613740675.db2.gz RPRWIYVMKSNCNO-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C2(C3CCC3)CCC2)C[C@@H]1C ZINC000947579413 613741085 /nfs/dbraw/zinc/74/10/85/613741085.db2.gz AUQFADHEYSDHEF-GOEBONIOSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccsc2C)C(C)(C)C1 ZINC000940725881 613756326 /nfs/dbraw/zinc/75/63/26/613756326.db2.gz HVNYAXQSLYGAOH-CQSZACIVSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)CC2CCCCCC2)[C@H](C)C1 ZINC000943206563 613780692 /nfs/dbraw/zinc/78/06/92/613780692.db2.gz BTKWSUWXQZLYMU-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cc(C)ccc2C)C[C@H]1C ZINC000947971099 613787351 /nfs/dbraw/zinc/78/73/51/613787351.db2.gz HWEAVANIFKCUCS-CVEARBPZSA-N 1 1 286.419 3.072 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccoc2CCC)C[C@H]1C ZINC000947925574 613794711 /nfs/dbraw/zinc/79/47/11/613794711.db2.gz QIQFTLDCMYDTFW-KGLIPLIRSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)c2coc3ccccc23)[C@@H](C)C1 ZINC000945942695 613798305 /nfs/dbraw/zinc/79/83/05/613798305.db2.gz KIUOYXVVVZSCFI-BBRMVZONSA-N 1 1 298.386 3.059 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)c2cscc2Cl)[C@@H](C)C1 ZINC000942155694 613799462 /nfs/dbraw/zinc/79/94/62/613799462.db2.gz KEAKXMMFZRDFOA-GWCFXTLKSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C(CC)CC)C2)C1 ZINC000961143601 613805083 /nfs/dbraw/zinc/80/50/83/613805083.db2.gz ONWSUHFGCCGQSR-IRXDYDNUSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)C(C)(C)C1 ZINC000974642849 613807541 /nfs/dbraw/zinc/80/75/41/613807541.db2.gz YRRXPNWTAJZVJJ-HZPDHXFCSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)C2CCC(C)(C)CC2)C(C)(C)C1 ZINC000977642788 613826417 /nfs/dbraw/zinc/82/64/17/613826417.db2.gz DDIMZCOMLWLBPQ-HNNXBMFYSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3cccc(C)c3)C[C@@H]2C1 ZINC000979482236 613833711 /nfs/dbraw/zinc/83/37/11/613833711.db2.gz VUSHNODQUCIEMV-KSZLIROESA-N 1 1 298.430 3.011 20 30 CGEDMO C=CCCC[N@H+](C)CN1C[C@](C)(c2ccccc2)CC1=O ZINC000186720189 617615832 /nfs/dbraw/zinc/61/58/32/617615832.db2.gz WGQQCIVKRJCBRN-GOSISDBHSA-N 1 1 286.419 3.032 20 30 CGEDMO C=CC[C@@H]1CCN1C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000890562635 617646094 /nfs/dbraw/zinc/64/60/94/617646094.db2.gz CQJFMKHBSOCFAX-QZTJIDSGSA-N 1 1 298.430 3.076 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccccc2C)no1 ZINC000899989926 620742426 /nfs/dbraw/zinc/74/24/26/620742426.db2.gz DUZDVUMNJXXVBU-CYBMUJFWSA-N 1 1 257.337 3.401 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccc(OC)cc2)no1 ZINC000899998740 620743644 /nfs/dbraw/zinc/74/36/44/620743644.db2.gz UGWQMXQXLPPKEP-CYBMUJFWSA-N 1 1 273.336 3.101 20 30 CGEDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNc1nc(Cl)c(C#N)s1 ZINC000804677098 617787596 /nfs/dbraw/zinc/78/75/96/617787596.db2.gz IYHCZWAVMDDLSA-JTQLQIEISA-N 1 1 298.843 3.200 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC2CC2)C1 ZINC001021494985 618012487 /nfs/dbraw/zinc/01/24/87/618012487.db2.gz FYWZIHYLSAZZOO-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C=C(C)C)C1 ZINC001021510796 618017379 /nfs/dbraw/zinc/01/73/79/618017379.db2.gz KQRULJXKCRCAPV-CABCVRRESA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C=C(C)C)C1 ZINC001021509980 618017861 /nfs/dbraw/zinc/01/78/61/618017861.db2.gz DSJXCMXZUDDCJH-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC2CCC2)C1 ZINC001021550615 618036048 /nfs/dbraw/zinc/03/60/48/618036048.db2.gz IVXBMEJLBTWBHH-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC2(C)CC2)C1 ZINC001021633566 618076414 /nfs/dbraw/zinc/07/64/14/618076414.db2.gz RUHNZQHBZWKCQD-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C[N@H+](Cc1ccnn1C1CCC1)Cc1ccc(C#N)cc1 ZINC000891605110 618241414 /nfs/dbraw/zinc/24/14/14/618241414.db2.gz YZGOKEHFEHVALQ-UHFFFAOYSA-N 1 1 280.375 3.112 20 30 CGEDMO C[N@@H+](Cc1ccnn1C1CCC1)Cc1ccc(C#N)cc1 ZINC000891605110 618241415 /nfs/dbraw/zinc/24/14/15/618241415.db2.gz YZGOKEHFEHVALQ-UHFFFAOYSA-N 1 1 280.375 3.112 20 30 CGEDMO CC[N@@H+](C[C@@H](C)C#N)CC1(CCCOC)CCC1 ZINC000891716295 618256146 /nfs/dbraw/zinc/25/61/46/618256146.db2.gz NOVATAYKCHFORS-AWEZNQCLSA-N 1 1 252.402 3.065 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000892068688 618517425 /nfs/dbraw/zinc/51/74/25/618517425.db2.gz BNVYFIRHYJPIQY-GJZGRUSLSA-N 1 1 285.403 3.298 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCOc1ccc(C#N)cc1 ZINC000051559860 618610127 /nfs/dbraw/zinc/61/01/27/618610127.db2.gz APSBUFUOUJWYQQ-UHFFFAOYSA-N 1 1 258.365 3.225 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1C[C@H](O)c1ccc(Cl)cc1 ZINC000934462635 618624682 /nfs/dbraw/zinc/62/46/82/618624682.db2.gz ZBOWTNHFLWZCGM-KGLIPLIRSA-N 1 1 251.757 3.024 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1CCC(=O)Nc1ccccc1OCC ZINC000934462673 618624912 /nfs/dbraw/zinc/62/49/12/618624912.db2.gz ZXZKOKVTKAMJTG-CQSZACIVSA-N 1 1 288.391 3.064 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000934473498 618628412 /nfs/dbraw/zinc/62/84/12/618628412.db2.gz WQEZIBLGYQEAHS-NSHDSACASA-N 1 1 298.839 3.010 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000934473498 618628423 /nfs/dbraw/zinc/62/84/23/618628423.db2.gz WQEZIBLGYQEAHS-NSHDSACASA-N 1 1 298.839 3.010 20 30 CGEDMO COc1ccc(C[N@H+](CCC#N)CC(C)C)cc1F ZINC000049800880 618643063 /nfs/dbraw/zinc/64/30/63/618643063.db2.gz NAUJLXCESHVRJM-UHFFFAOYSA-N 1 1 264.344 3.206 20 30 CGEDMO COc1ccc(C[N@@H+](CCC#N)CC(C)C)cc1F ZINC000049800880 618643065 /nfs/dbraw/zinc/64/30/65/618643065.db2.gz NAUJLXCESHVRJM-UHFFFAOYSA-N 1 1 264.344 3.206 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1nccn1CC(F)(F)F ZINC000934645347 618664584 /nfs/dbraw/zinc/66/45/84/618664584.db2.gz INBOJXWHQLCNMH-UHFFFAOYSA-N 1 1 275.318 3.234 20 30 CGEDMO NC(CCc1ccccc1)=[NH+]OCc1cccc([N+](=O)[O-])c1 ZINC000066373916 618847106 /nfs/dbraw/zinc/84/71/06/618847106.db2.gz OAAHDXHCMYZGRT-UHFFFAOYSA-N 1 1 299.330 3.016 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CCC)cc2)C1 ZINC001008339617 619083198 /nfs/dbraw/zinc/08/31/98/619083198.db2.gz JTQNSTXCPUVWLL-KRWDZBQOSA-N 1 1 286.419 3.019 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)[C@H]1CCO ZINC000930970972 619096805 /nfs/dbraw/zinc/09/68/05/619096805.db2.gz MHQMMBPHLXDELW-CVEARBPZSA-N 1 1 278.440 3.333 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(C(C)C)ns1 ZINC000931063959 619107614 /nfs/dbraw/zinc/10/76/14/619107614.db2.gz YANFKMDOFPMVGP-TXEJJXNPSA-N 1 1 263.410 3.345 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(C(C)C)ns1 ZINC000931063959 619107616 /nfs/dbraw/zinc/10/76/16/619107616.db2.gz YANFKMDOFPMVGP-TXEJJXNPSA-N 1 1 263.410 3.345 20 30 CGEDMO C[C@H]1C[N@@H+](CCCCC(C)(C)C#N)Cc2c[nH]nc21 ZINC000931461459 619169005 /nfs/dbraw/zinc/16/90/05/619169005.db2.gz UAFUSSLEEWKNKB-LBPRGKRZSA-N 1 1 260.385 3.049 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC(C)(C)C2)cc1 ZINC000093339843 619186252 /nfs/dbraw/zinc/18/62/52/619186252.db2.gz ARHQKYUXQFDTPA-CYBMUJFWSA-N 1 1 258.365 3.209 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@]2(C)CCC(C)=C(C)C2)C1 ZINC001009689883 619188996 /nfs/dbraw/zinc/18/89/96/619188996.db2.gz INUJKOOQCRMQFG-SJLPKXTDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001009698751 619189514 /nfs/dbraw/zinc/18/95/14/619189514.db2.gz SWEBFJFWODAUOW-UYSNPLJNSA-N 1 1 292.467 3.215 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000931613007 619215084 /nfs/dbraw/zinc/21/50/84/619215084.db2.gz SHHVPLPHUUQFFV-MRXNPFEDSA-N 1 1 286.419 3.158 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931911957 619271319 /nfs/dbraw/zinc/27/13/19/619271319.db2.gz UJVWWYPFCGNEDA-SNVBAGLBSA-N 1 1 251.267 3.319 20 30 CGEDMO C=C1CCC(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)N)CC1 ZINC000925836343 619287501 /nfs/dbraw/zinc/28/75/01/619287501.db2.gz ZRYLRONJPBWWCK-CRAIPNDOSA-N 1 1 272.436 3.281 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000932150251 619304405 /nfs/dbraw/zinc/30/44/05/619304405.db2.gz AARULIBNOAHQGK-HOCLYGCPSA-N 1 1 254.377 3.342 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(C(F)(F)F)nc1N(C)C ZINC000893930109 619334711 /nfs/dbraw/zinc/33/47/11/619334711.db2.gz QARCTIIUQAJDQP-UHFFFAOYSA-N 1 1 287.329 3.174 20 30 CGEDMO Cc1cc(F)c(C#N)c(NCCCC[N@H+](C)C2CC2)c1 ZINC000894143200 619391969 /nfs/dbraw/zinc/39/19/69/619391969.db2.gz SZUOIZXYWDDZEP-UHFFFAOYSA-N 1 1 275.371 3.292 20 30 CGEDMO C[C@H]1C[N@H+](Cc2csc(C#N)c2)CCC1(F)F ZINC000894533315 619565976 /nfs/dbraw/zinc/56/59/76/619565976.db2.gz FTVJEMIAPIPQFF-VIFPVBQESA-N 1 1 256.321 3.097 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2csc(C#N)c2)CCC1(F)F ZINC000894533315 619565981 /nfs/dbraw/zinc/56/59/81/619565981.db2.gz FTVJEMIAPIPQFF-VIFPVBQESA-N 1 1 256.321 3.097 20 30 CGEDMO COCCCC1(C[N@@H+]2Cc3cccc(C#N)c3C2)CCC1 ZINC000895187728 619774445 /nfs/dbraw/zinc/77/44/45/619774445.db2.gz GDKQXTKQYHWDHL-UHFFFAOYSA-N 1 1 284.403 3.471 20 30 CGEDMO COCCCC1(C[N@H+]2Cc3cccc(C#N)c3C2)CCC1 ZINC000895187728 619774446 /nfs/dbraw/zinc/77/44/46/619774446.db2.gz GDKQXTKQYHWDHL-UHFFFAOYSA-N 1 1 284.403 3.471 20 30 CGEDMO COC1CCC(C[N@H+]2Cc3ccc(C#N)cc3C2)CC1 ZINC000895214576 619782955 /nfs/dbraw/zinc/78/29/55/619782955.db2.gz FWWYFTLYUOLWRB-UHFFFAOYSA-N 1 1 270.376 3.079 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccccc2OCC(F)F)C1 ZINC000895389708 619819744 /nfs/dbraw/zinc/81/97/44/619819744.db2.gz GQIUIYKPKAGGPM-CYBMUJFWSA-N 1 1 279.330 3.176 20 30 CGEDMO C[C@@H]1C[NH+](Cc2csc(C#N)c2)C[C@@H](C)C1(F)F ZINC000895550509 619850999 /nfs/dbraw/zinc/85/09/99/619850999.db2.gz OBQWWBKALKBCPA-NXEZZACHSA-N 1 1 270.348 3.343 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1cnn(C2CCC2)c1 ZINC000895785036 619885556 /nfs/dbraw/zinc/88/55/56/619885556.db2.gz BKYDMVJCQPCTNP-UHFFFAOYSA-N 1 1 294.402 3.154 20 30 CGEDMO COC1(OC)CC2(C[N@@H+](C[C@@H](C)CCC#N)[C@@H]2C(C)C)C1 ZINC000895990102 619920416 /nfs/dbraw/zinc/92/04/16/619920416.db2.gz RUEUNRRNMZXTEO-LSDHHAIUSA-N 1 1 294.439 3.036 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000896503518 620018392 /nfs/dbraw/zinc/01/83/92/620018392.db2.gz KQHPFCLQDVHCMA-CYBMUJFWSA-N 1 1 266.344 3.281 20 30 CGEDMO CC(C)(C[N@@H+]1CCC[C@H](C#N)C1)Oc1ccccc1 ZINC000896505585 620018733 /nfs/dbraw/zinc/01/87/33/620018733.db2.gz OJSHMBYQURMWRD-CQSZACIVSA-N 1 1 258.365 3.080 20 30 CGEDMO CC(C)(C[N@H+]1CCC[C@H](C#N)C1)Oc1ccccc1 ZINC000896505585 620018736 /nfs/dbraw/zinc/01/87/36/620018736.db2.gz OJSHMBYQURMWRD-CQSZACIVSA-N 1 1 258.365 3.080 20 30 CGEDMO COc1ccc(C[C@@H](C)C[N@H+]2CCC[C@H](C#N)C2)cc1F ZINC000896506635 620019028 /nfs/dbraw/zinc/01/90/28/620019028.db2.gz VCRDSVKKXWRXLP-UKRRQHHQSA-N 1 1 290.382 3.248 20 30 CGEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)/C=C(\C)C2CC2)CC1 ZINC000985303466 620164549 /nfs/dbraw/zinc/16/45/49/620164549.db2.gz WMHPURYNHHLSCF-ZRDIBKRKSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)C(C)(C)C(=C)C)CC1 ZINC000985567863 620213106 /nfs/dbraw/zinc/21/31/06/620213106.db2.gz BDAFDXJNZCYODE-UHFFFAOYSA-N 1 1 298.858 3.264 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2CCC[C@H](C)C2)CC1 ZINC000985616771 620222446 /nfs/dbraw/zinc/22/24/46/620222446.db2.gz ZWGSKGMLEBINBN-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)[C@H]2CCCCC2(C)C)CC1 ZINC000985807137 620240727 /nfs/dbraw/zinc/24/07/27/620240727.db2.gz ARIZIVYKRAADIZ-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO CCCc1ccc(C[NH2+]Cc2nc(C#N)cs2)s1 ZINC000897629594 620414588 /nfs/dbraw/zinc/41/45/88/620414588.db2.gz MIJLDTZTRXNODL-UHFFFAOYSA-N 1 1 277.418 3.319 20 30 CGEDMO COc1ccc(CNc2ccc(C3CC3)c[nH+]2)cc1C#N ZINC000897711927 620422198 /nfs/dbraw/zinc/42/21/98/620422198.db2.gz HZAGLABACMQQQM-UHFFFAOYSA-N 1 1 279.343 3.451 20 30 CGEDMO N#Cc1csc(C[N@H+]2CC[C@@H](Cc3nccs3)C2)c1 ZINC000898071424 620477064 /nfs/dbraw/zinc/47/70/64/620477064.db2.gz JVWHKGHIKVUCDP-NSHDSACASA-N 1 1 289.429 3.141 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1cccc2[nH]c(=O)oc21 ZINC000898244992 620496580 /nfs/dbraw/zinc/49/65/80/620496580.db2.gz TZXWVRCSOYZKEB-UHFFFAOYSA-N 1 1 260.337 3.322 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)c2cccc(C)c2C)CC1 ZINC000989590938 620517803 /nfs/dbraw/zinc/51/78/03/620517803.db2.gz AMXUEKSABYJUBO-UHFFFAOYSA-N 1 1 286.419 3.027 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)CC3CCCC3)CCC[C@H]12 ZINC000989921181 620531548 /nfs/dbraw/zinc/53/15/48/620531548.db2.gz GDXQMYYUGXMTHH-FUHWJXTLSA-N 1 1 290.451 3.256 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)CC3CCCCC3)CCC[C@@H]12 ZINC000989935007 620532998 /nfs/dbraw/zinc/53/29/98/620532998.db2.gz AAAUQHWKNKNOMM-SJLPKXTDSA-N 1 1 290.451 3.256 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)C[C@@H]3C=CCC3)CCC[C@@H]12 ZINC000989943513 620533870 /nfs/dbraw/zinc/53/38/70/620533870.db2.gz XQZKZCBWOJNXIX-JFIYKMOQSA-N 1 1 288.435 3.032 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)C3CC=CC3)CCC[C@H]12 ZINC000990078900 620535499 /nfs/dbraw/zinc/53/54/99/620535499.db2.gz BOPJNPFXUOJBTA-FUHWJXTLSA-N 1 1 288.435 3.032 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000801929318 621399584 /nfs/dbraw/zinc/39/95/84/621399584.db2.gz KXPRWPGFUZGUBP-RYUDHWBXSA-N 1 1 289.404 3.218 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+](C)[C@@H](C)c1nc2ccccc2s1 ZINC000801929318 621399586 /nfs/dbraw/zinc/39/95/86/621399586.db2.gz KXPRWPGFUZGUBP-RYUDHWBXSA-N 1 1 289.404 3.218 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H](F)C1 ZINC000902999069 621524301 /nfs/dbraw/zinc/52/43/01/621524301.db2.gz VAZWHXZISLSOCK-CQSZACIVSA-N 1 1 260.356 3.422 20 30 CGEDMO CC(C)[C@H]([NH2+]CC1(C#N)CCC1)c1ccc(F)cn1 ZINC000903032181 621534660 /nfs/dbraw/zinc/53/46/60/621534660.db2.gz FRWZGNSHNUGVMP-AWEZNQCLSA-N 1 1 261.344 3.201 20 30 CGEDMO N#CC1(C[NH2+][C@@H]2CCCOc3ccccc32)CCC1 ZINC000903030406 621535496 /nfs/dbraw/zinc/53/54/96/621535496.db2.gz AAINJFNQOZIYDX-CQSZACIVSA-N 1 1 256.349 3.184 20 30 CGEDMO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccc(C#N)cc1 ZINC000903082360 621563536 /nfs/dbraw/zinc/56/35/36/621563536.db2.gz ZMJOUMAHLOOONO-HMZLUNFSSA-N 1 1 295.430 3.367 20 30 CGEDMO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc(C#N)cc1 ZINC000903082360 621563542 /nfs/dbraw/zinc/56/35/42/621563542.db2.gz ZMJOUMAHLOOONO-HMZLUNFSSA-N 1 1 295.430 3.367 20 30 CGEDMO CC[C@@H](NC[C@H]1CCCC[N@H+](C)C1)c1cccc(C#N)c1 ZINC000903069453 621568322 /nfs/dbraw/zinc/56/83/22/621568322.db2.gz HDLUJGQSJYCCSS-SJLPKXTDSA-N 1 1 285.435 3.331 20 30 CGEDMO CC[C@@H](NC[C@H]1CCCC[N@@H+](C)C1)c1cccc(C#N)c1 ZINC000903069453 621568330 /nfs/dbraw/zinc/56/83/30/621568330.db2.gz HDLUJGQSJYCCSS-SJLPKXTDSA-N 1 1 285.435 3.331 20 30 CGEDMO CC[C@H]([NH2+]CC1(C#N)CC1)c1cc(C)ccc1OC ZINC000903106434 621580843 /nfs/dbraw/zinc/58/08/43/621580843.db2.gz QGHHWCKHTVIPOP-AWEZNQCLSA-N 1 1 258.365 3.348 20 30 CGEDMO C#CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccccc1 ZINC000903132558 621592239 /nfs/dbraw/zinc/59/22/39/621592239.db2.gz ZZMVHFJSASWHKV-ZNBHLAFESA-N 1 1 294.442 3.498 20 30 CGEDMO C#CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1 ZINC000903132558 621592245 /nfs/dbraw/zinc/59/22/45/621592245.db2.gz ZZMVHFJSASWHKV-ZNBHLAFESA-N 1 1 294.442 3.498 20 30 CGEDMO C[N@H+]1CC[C@H](Nc2ccc(CCC#N)cc2)CC1(C)C ZINC000903294247 621662746 /nfs/dbraw/zinc/66/27/46/621662746.db2.gz REAPJYOLGSJEJX-INIZCTEOSA-N 1 1 271.408 3.427 20 30 CGEDMO C=CC[C@@H]1[N@@H+](C[C@H](N)CC(F)F)CCCC1(C)C ZINC000903913544 621832751 /nfs/dbraw/zinc/83/27/51/621832751.db2.gz DVPMTSPCCBHWAP-NEPJUHHUSA-N 1 1 260.372 3.036 20 30 CGEDMO C=CC[C@@H]1[N@H+](C[C@H](N)CC(F)F)CCCC1(C)C ZINC000903913544 621832752 /nfs/dbraw/zinc/83/27/52/621832752.db2.gz DVPMTSPCCBHWAP-NEPJUHHUSA-N 1 1 260.372 3.036 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000769447667 625571107 /nfs/dbraw/zinc/57/11/07/625571107.db2.gz IZSHHEBUFQQIPV-HZSPNIEDSA-N 1 1 258.365 3.065 20 30 CGEDMO CCCCCCC[N@@H+](CCCC)[C@H]1CCS(=O)(=O)C1 ZINC000158053979 622993781 /nfs/dbraw/zinc/99/37/81/622993781.db2.gz NNJSIHGQUJEYJN-HNNXBMFYSA-N 1 1 289.485 3.246 20 30 CGEDMO C[C@H]1C[N@H+](C2CC2)CC1N=Nc1cccc(Cl)c1 ZINC000755871443 625630861 /nfs/dbraw/zinc/63/08/61/625630861.db2.gz GDAKUUWFPJHGQX-JTQLQIEISA-N 1 1 263.772 3.222 20 30 CGEDMO Cc1cnc(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)s1 ZINC000174572791 623411821 /nfs/dbraw/zinc/41/18/21/623411821.db2.gz GNMHPZGTRCHXCS-NSHDSACASA-N 1 1 287.388 3.032 20 30 CGEDMO CN1CC[N@@H+](CC2CCC(C#N)CC2)Cc2ccccc21 ZINC000929492308 623426900 /nfs/dbraw/zinc/42/69/00/623426900.db2.gz FXEQUXRJXTYWNO-UHFFFAOYSA-N 1 1 283.419 3.268 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3ccccc3CC)CCC[C@H]12 ZINC000992159888 623453634 /nfs/dbraw/zinc/45/36/34/623453634.db2.gz MSQNEDDHLYOOCT-PKOBYXMFSA-N 1 1 298.430 3.162 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3CC)CCC[C@H]12 ZINC000992243949 623486914 /nfs/dbraw/zinc/48/69/14/623486914.db2.gz XERCFWXQKMBHDQ-XLMAVXFVSA-N 1 1 290.451 3.112 20 30 CGEDMO C[C@@H]1CC(=NOCC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000758906310 623515554 /nfs/dbraw/zinc/51/55/54/623515554.db2.gz DXWQFCJDZJJGDE-GFCCVEGCSA-N 1 1 282.334 3.309 20 30 CGEDMO CN(C)[C@@H](C[NH2+]Cc1csc(C#N)c1)C1CCCCC1 ZINC000921540377 625658898 /nfs/dbraw/zinc/65/88/98/625658898.db2.gz GVBJAXAUEIKXEU-INIZCTEOSA-N 1 1 291.464 3.220 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000914820609 623864377 /nfs/dbraw/zinc/86/43/77/623864377.db2.gz JPGQSUWRKUPDOO-CYBMUJFWSA-N 1 1 251.757 3.369 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C(C)=C2CCCC2)[C@@H]1C ZINC000993191156 623907297 /nfs/dbraw/zinc/90/72/97/623907297.db2.gz AFUZMUUKSWXBEP-HOCLYGCPSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C(C)=C2CCCC2)[C@@H]1C ZINC000993209607 623963978 /nfs/dbraw/zinc/96/39/78/623963978.db2.gz ZZIPTCOOKOMGAK-RDJZCZTQSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C(C)=C2CCC2)[C@@H]1C ZINC000993305423 624003648 /nfs/dbraw/zinc/00/36/48/624003648.db2.gz DPNNTPLKAZYVMF-HOCLYGCPSA-N 1 1 276.424 3.032 20 30 CGEDMO CCCCCCCCC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000915634458 624014809 /nfs/dbraw/zinc/01/48/09/624014809.db2.gz YPMMOGWLDRCFHV-JKSUJKDBSA-N 1 1 280.456 3.480 20 30 CGEDMO CCCCCCCC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000915634189 624014951 /nfs/dbraw/zinc/01/49/51/624014951.db2.gz UMSGLJNNTMSWRI-CABCVRRESA-N 1 1 266.429 3.090 20 30 CGEDMO FC(F)(F)CCN[NH+]=C1CC[C@H]2CNc3cccc1c32 ZINC000814920722 624027133 /nfs/dbraw/zinc/02/71/33/624027133.db2.gz UONIGMXTDOHNQS-VIFPVBQESA-N 1 1 283.297 3.236 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccsc2C)[C@H]1C ZINC000993329609 624027901 /nfs/dbraw/zinc/02/79/01/624027901.db2.gz QUDZGHXOPYDMHD-DOMZBBRYSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2sc(C)cc2C)[C@H]1C ZINC000993404856 624042041 /nfs/dbraw/zinc/04/20/41/624042041.db2.gz BHTVJHNFRSMRII-ZIAGYGMSSA-N 1 1 292.448 3.134 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CCC[N@H+](CCC)[C@H]2C)CC1 ZINC000993771887 624062928 /nfs/dbraw/zinc/06/29/28/624062928.db2.gz HTWCCDSKONZQGQ-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2csc(C)c2)[C@H]1C ZINC000993996167 624066899 /nfs/dbraw/zinc/06/68/99/624066899.db2.gz QQTGKYWYRGHGFJ-HIFRSBDPSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cl)cc2)[C@@H]1C ZINC000994256722 624157533 /nfs/dbraw/zinc/15/75/33/624157533.db2.gz DGFOQXLEWMOCSV-WFASDCNBSA-N 1 1 292.810 3.109 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@@H]1C ZINC000994256416 624158333 /nfs/dbraw/zinc/15/83/33/624158333.db2.gz XTCHSEIWFNVYHL-QAETUUGQSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(Cl)c2)[C@@H]1C ZINC000994287320 624202610 /nfs/dbraw/zinc/20/26/10/624202610.db2.gz OOXICQXCAQXTGZ-WFASDCNBSA-N 1 1 292.810 3.109 20 30 CGEDMO C=CC[N@@H+](Cc1nc2ccccc2nc1C)C(C)C ZINC000917071719 624234386 /nfs/dbraw/zinc/23/43/86/624234386.db2.gz YEBSCPGTPXEAFM-UHFFFAOYSA-N 1 1 255.365 3.335 20 30 CGEDMO C#CC[N@H+](C[C@H](O)c1ccccc1)[C@H]1CCc2ccccc21 ZINC000917117176 624242434 /nfs/dbraw/zinc/24/24/34/624242434.db2.gz DWSWDJLFVBIYBQ-PMACEKPBSA-N 1 1 291.394 3.343 20 30 CGEDMO C#CCCC[N@H+]1CCc2cc(OCC)c(OCC)cc2C1 ZINC000766895851 624384588 /nfs/dbraw/zinc/38/45/88/624384588.db2.gz TWQUCCAVVBFRTG-UHFFFAOYSA-N 1 1 287.403 3.256 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2c(Cl)nc3ccccn32)cc1 ZINC000920179465 624453517 /nfs/dbraw/zinc/45/35/17/624453517.db2.gz IHRKULNXFPMLBQ-UHFFFAOYSA-N 1 1 296.761 3.149 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H](O)c1ccccc1C(F)(F)F ZINC000181254695 624834751 /nfs/dbraw/zinc/83/47/51/624834751.db2.gz DZFUPNARRGRRPA-CYBMUJFWSA-N 1 1 273.298 3.247 20 30 CGEDMO C#CC[N@H+](CCCCC(=O)OC(C)(C)C)C1CCCC1 ZINC000181995960 624929629 /nfs/dbraw/zinc/92/96/29/624929629.db2.gz LCUQBPDIQFBDFU-UHFFFAOYSA-N 1 1 279.424 3.376 20 30 CGEDMO C=C1CCC(C(=O)NCC2=CC[N@@H+](CC(C)C)CC2)CC1 ZINC001001116886 625890779 /nfs/dbraw/zinc/89/07/79/625890779.db2.gz MWNQFVPTYJZXJF-UHFFFAOYSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)C2CCCCC2)CC1 ZINC001001145596 625891740 /nfs/dbraw/zinc/89/17/40/625891740.db2.gz LPHGCHLPPVBMTR-UHFFFAOYSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@H]2CC[C@@H](C)C2)CC1 ZINC001001225520 625893441 /nfs/dbraw/zinc/89/34/41/625893441.db2.gz KJGVCNSVYJFATD-WBVHZDCISA-N 1 1 290.451 3.137 20 30 CGEDMO C[C@@H](C[N@H+](C)Cc1ccccc1)NCc1csc(C#N)c1 ZINC000921969625 625948958 /nfs/dbraw/zinc/94/89/58/625948958.db2.gz MRJCKMDGWRSMTG-AWEZNQCLSA-N 1 1 299.443 3.230 20 30 CGEDMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NCc1csc(C#N)c1 ZINC000921969625 625948966 /nfs/dbraw/zinc/94/89/66/625948966.db2.gz MRJCKMDGWRSMTG-AWEZNQCLSA-N 1 1 299.443 3.230 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2sccc2C(C)C)C1 ZINC001016328599 625951182 /nfs/dbraw/zinc/95/11/82/625951182.db2.gz WTTDBXLZLVWRIM-ZDUSSCGKSA-N 1 1 292.448 3.252 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)C=C)CC1 ZINC001004503991 626064415 /nfs/dbraw/zinc/06/44/15/626064415.db2.gz AHBLLLGTTRJLAO-MRXNPFEDSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cscc2Cl)C1 ZINC001014843871 626134043 /nfs/dbraw/zinc/13/40/43/626134043.db2.gz BVOSTFAIRVYZML-NSHDSACASA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC001005963008 626134900 /nfs/dbraw/zinc/13/49/00/626134900.db2.gz DTBVDNRIFHBADK-UKRRQHHQSA-N 1 1 298.858 3.098 20 30 CGEDMO CCCCCCCCC(=O)N1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000923306471 626145095 /nfs/dbraw/zinc/14/50/95/626145095.db2.gz MMZYWEZKXZLQLW-CVEARBPZSA-N 1 1 280.456 3.432 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](C)[C@H]1CCC[C@H]1c1ccccc1 ZINC000839175756 626325634 /nfs/dbraw/zinc/32/56/34/626325634.db2.gz YMWLFAILBGOKBC-PVAVHDDUSA-N 1 1 272.392 3.183 20 30 CGEDMO COc1ccc(N[NH+]=Cc2ccc(N(C)C)s2)cc1 ZINC000750922405 626369008 /nfs/dbraw/zinc/36/90/08/626369008.db2.gz PBZOTIHCYLGIQI-UHFFFAOYSA-N 1 1 275.377 3.269 20 30 CGEDMO C=C(C)[C@@H]1CCC(C)=C(N=NC2=[NH+][C@@H]3CCCC[C@@H]3N2)C1 ZINC000753934190 626469166 /nfs/dbraw/zinc/46/91/66/626469166.db2.gz HGERGUPAYKJVOM-KFWWJZLASA-N 1 1 286.423 3.135 20 30 CGEDMO CCCCCCCC[N@H+](C)Cc1nnc2n1CCC2 ZINC000754664780 626581313 /nfs/dbraw/zinc/58/13/13/626581313.db2.gz AVUGXRLHVXDAFL-UHFFFAOYSA-N 1 1 264.417 3.017 20 30 CGEDMO CCCCCCCC[N@@H+](C)Cc1nnc2n1CCC2 ZINC000754664780 626581316 /nfs/dbraw/zinc/58/13/16/626581316.db2.gz AVUGXRLHVXDAFL-UHFFFAOYSA-N 1 1 264.417 3.017 20 30 CGEDMO Cc1ccc(OCC[N@H+](CCC#N)CC(C)C)cc1 ZINC000755669378 626635621 /nfs/dbraw/zinc/63/56/21/626635621.db2.gz JHCKQRVZGNAMJB-UHFFFAOYSA-N 1 1 260.381 3.246 20 30 CGEDMO Cc1ccc(OCC[N@@H+](CCC#N)CC(C)C)cc1 ZINC000755669378 626635624 /nfs/dbraw/zinc/63/56/24/626635624.db2.gz JHCKQRVZGNAMJB-UHFFFAOYSA-N 1 1 260.381 3.246 20 30 CGEDMO CCCCCCCCCCNC(=O)N1CCC[N@@H+](C)CC1 ZINC000756097650 626676343 /nfs/dbraw/zinc/67/63/43/626676343.db2.gz WHKNRLDGYKYNEJ-UHFFFAOYSA-N 1 1 297.487 3.474 20 30 CGEDMO COc1cccc(O)c1/C=N/[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000756841238 626736630 /nfs/dbraw/zinc/73/66/30/626736630.db2.gz TWKCGNAFEVVJCQ-JJLFXSABSA-N 1 1 296.370 3.006 20 30 CGEDMO COc1cccc(O)c1/C=N/[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000756841238 626736631 /nfs/dbraw/zinc/73/66/31/626736631.db2.gz TWKCGNAFEVVJCQ-JJLFXSABSA-N 1 1 296.370 3.006 20 30 CGEDMO COc1ccc(O)c(/C=N\[C@@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000756841460 626736689 /nfs/dbraw/zinc/73/66/89/626736689.db2.gz VCFVNNORHHQLLT-KLSKMWHSSA-N 1 1 296.370 3.006 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H](CCO)c1cccc(C(F)(F)F)c1 ZINC000839609539 626769155 /nfs/dbraw/zinc/76/91/55/626769155.db2.gz CJIWRSUTXLINGR-LBPRGKRZSA-N 1 1 293.716 3.471 20 30 CGEDMO C[N@H+]1CCCC(N=Nc2cccc(Br)c2)CC1 ZINC000758098734 626826812 /nfs/dbraw/zinc/82/68/12/626826812.db2.gz UVRJSTNXKZCQBC-UHFFFAOYSA-N 1 1 296.212 3.333 20 30 CGEDMO CCCCCC[C@H](C)NN=C1CCC[N@@H+](C)CC1 ZINC000758119558 626827987 /nfs/dbraw/zinc/82/79/87/626827987.db2.gz YDALACZNVCPTMU-AWEZNQCLSA-N 1 1 253.434 3.407 20 30 CGEDMO N#Cc1cccn(C[N@H+]2CCC[C@H]2CC2CCCCC2)c1=O ZINC000758205359 626833484 /nfs/dbraw/zinc/83/34/84/626833484.db2.gz TWPOMMIFYDIOKH-KRWDZBQOSA-N 1 1 299.418 3.112 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(C(F)(F)F)s1)C1CC1 ZINC000763190628 627144720 /nfs/dbraw/zinc/14/47/20/627144720.db2.gz CYAWRAHMTNFDJK-UHFFFAOYSA-N 1 1 259.296 3.365 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C(F)(F)F)s1)C1CC1 ZINC000763190628 627144721 /nfs/dbraw/zinc/14/47/21/627144721.db2.gz CYAWRAHMTNFDJK-UHFFFAOYSA-N 1 1 259.296 3.365 20 30 CGEDMO CC(C)(C)C[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000763409842 627157003 /nfs/dbraw/zinc/15/70/03/627157003.db2.gz UVAZAFLWAKGODV-IAGOWNOFSA-N 1 1 286.419 3.492 20 30 CGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CC[C@@H]2c2ccccc2)cc1 ZINC000763414646 627157502 /nfs/dbraw/zinc/15/75/02/627157502.db2.gz XQLMZOWJJWDHQS-MSOLQXFVSA-N 1 1 278.355 3.039 20 30 CGEDMO CC[N@@H+](C[C@H]1CC2(CC2)C(=O)O1)[C@@H](C)c1ccc(C#N)cc1 ZINC000763672258 627172951 /nfs/dbraw/zinc/17/29/51/627172951.db2.gz NZQBHBQCAHJNJT-XJKSGUPXSA-N 1 1 298.386 3.037 20 30 CGEDMO C#CC[N@H+](Cc1cccc(C(=O)OC(C)(C)C)c1)C1CC1 ZINC000764678004 627217744 /nfs/dbraw/zinc/21/77/44/627217744.db2.gz YVASYOHNXVDRGP-UHFFFAOYSA-N 1 1 285.387 3.240 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1OC(F)(F)F)C1CC1 ZINC000764681811 627218247 /nfs/dbraw/zinc/21/82/47/627218247.db2.gz JDLDDFDGLVAOLE-UHFFFAOYSA-N 1 1 269.266 3.183 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1OC(F)(F)F)C1CC1 ZINC000764681811 627218249 /nfs/dbraw/zinc/21/82/49/627218249.db2.gz JDLDDFDGLVAOLE-UHFFFAOYSA-N 1 1 269.266 3.183 20 30 CGEDMO CC#CCC[N@H+](CCC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000764962800 627234269 /nfs/dbraw/zinc/23/42/69/627234269.db2.gz LDORGDCHFCEXPF-OAHLLOKOSA-N 1 1 294.439 3.121 20 30 CGEDMO c1sc(N=NC2CC[N@H+]3CCC[C@@H]23)nc1-c1ccccc1 ZINC000765569389 627260027 /nfs/dbraw/zinc/26/00/27/627260027.db2.gz KGLZUUXTYCNRGF-HNNXBMFYSA-N 1 1 298.415 3.446 20 30 CGEDMO C#CCCC[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000766895409 627367629 /nfs/dbraw/zinc/36/76/29/627367629.db2.gz KUQMSJOXDZLCED-GJZGRUSLSA-N 1 1 298.213 3.297 20 30 CGEDMO C#CCCC[N@@H+]1CCSC[C@@H]1c1ccc(C)cc1 ZINC000766906329 627369187 /nfs/dbraw/zinc/36/91/87/627369187.db2.gz QEDJGIFINKZSTG-MRXNPFEDSA-N 1 1 259.418 3.498 20 30 CGEDMO C#CC[N@H+](CCc1csc(C)n1)C1CCCCC1 ZINC000767350051 627400335 /nfs/dbraw/zinc/40/03/35/627400335.db2.gz CLNRSGPSKLZJMH-UHFFFAOYSA-N 1 1 262.422 3.262 20 30 CGEDMO CC(C)[C@@H](C)[N@@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000768269968 627471979 /nfs/dbraw/zinc/47/19/79/627471979.db2.gz STADKMHAAGDEEJ-ZIAGYGMSSA-N 1 1 260.381 3.454 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000769105555 627522537 /nfs/dbraw/zinc/52/25/37/627522537.db2.gz NFZQXYKCMSDODM-UHFFFAOYSA-N 1 1 284.315 3.310 20 30 CGEDMO COc1cccc(O)c1C[N@H+](CCC#N)CC(C)(C)C ZINC000769334763 627543273 /nfs/dbraw/zinc/54/32/73/627543273.db2.gz FXMYWJVLQMXHCX-UHFFFAOYSA-N 1 1 276.380 3.163 20 30 CGEDMO COc1cccc(O)c1C[N@@H+](CCC#N)CC(C)(C)C ZINC000769334763 627543275 /nfs/dbraw/zinc/54/32/75/627543275.db2.gz FXMYWJVLQMXHCX-UHFFFAOYSA-N 1 1 276.380 3.163 20 30 CGEDMO C#CC[N@H+](Cc1cccc(OCC)c1)C1CCCC1 ZINC000769530907 627562754 /nfs/dbraw/zinc/56/27/54/627562754.db2.gz ORGUDMNMRXHFIQ-UHFFFAOYSA-N 1 1 257.377 3.463 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(F)c(Br)c1 ZINC000769977330 627594507 /nfs/dbraw/zinc/59/45/07/627594507.db2.gz GLUSITXGINUDIT-SECBINFHSA-N 1 1 270.145 3.042 20 30 CGEDMO CC(C)CNN=C1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000771563094 627720013 /nfs/dbraw/zinc/72/00/13/627720013.db2.gz XATCBMLTMGHYGW-OAHLLOKOSA-N 1 1 273.424 3.130 20 30 CGEDMO C=CC[N@H+](Cc1cc(=O)oc2cc(O)c(CC)cc12)C1CC1 ZINC000772380629 627788681 /nfs/dbraw/zinc/78/86/81/627788681.db2.gz GPHYJCGHMTVVTF-UHFFFAOYSA-N 1 1 299.370 3.211 20 30 CGEDMO CCN(C)c1ccc(C[N@H+](C[C@H](C)C#N)C2CC2)cc1 ZINC000773806012 627917078 /nfs/dbraw/zinc/91/70/78/627917078.db2.gz TYVCZYHKNGYXQK-CQSZACIVSA-N 1 1 271.408 3.267 20 30 CGEDMO CCN(C)c1ccc(C[N@@H+](C[C@H](C)C#N)C2CC2)cc1 ZINC000773806012 627917085 /nfs/dbraw/zinc/91/70/85/627917085.db2.gz TYVCZYHKNGYXQK-CQSZACIVSA-N 1 1 271.408 3.267 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccccc1OC1CCCC1 ZINC000775183578 628070718 /nfs/dbraw/zinc/07/07/18/628070718.db2.gz PGNXLBPQFMVNCT-AWEZNQCLSA-N 1 1 257.377 3.462 20 30 CGEDMO C[C@H]1CCC[N@@H+]1CCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000775396058 628090266 /nfs/dbraw/zinc/09/02/66/628090266.db2.gz WYOBDWVKNJXVPX-KBXCAEBGSA-N 1 1 283.419 3.010 20 30 CGEDMO C[C@H]1CCC[N@H+]1CCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000775396058 628090268 /nfs/dbraw/zinc/09/02/68/628090268.db2.gz WYOBDWVKNJXVPX-KBXCAEBGSA-N 1 1 283.419 3.010 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1C(=O)OCc1ccccc1 ZINC000775607437 628113138 /nfs/dbraw/zinc/11/31/38/628113138.db2.gz ZSMPAHTXQRVBPG-MRXNPFEDSA-N 1 1 273.376 3.160 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000775614198 628114368 /nfs/dbraw/zinc/11/43/68/628114368.db2.gz AKYWXKHZRRULOU-CABCVRRESA-N 1 1 294.439 3.426 20 30 CGEDMO C[C@H](C(=O)O[C@H](C#N)C1CCCCC1)[NH+]1CCCCCC1 ZINC000776388198 628202913 /nfs/dbraw/zinc/20/29/13/628202913.db2.gz XRYZJRMBDKLYJX-GDBMZVCRSA-N 1 1 292.423 3.267 20 30 CGEDMO CC(C)[C@@H](Cc1ccccc1)N=NC1CC[N@@H+](C)[C@H](C)C1 ZINC000777449223 628271677 /nfs/dbraw/zinc/27/16/77/628271677.db2.gz UGLJBAFOFZTNSH-CRAIPNDOSA-N 1 1 287.451 3.313 20 30 CGEDMO FC(F)(F)Oc1ccccc1N=NC1CC[N@H+]2CCC[C@H]12 ZINC000777452220 628271975 /nfs/dbraw/zinc/27/19/75/628271975.db2.gz AAPJDGCSWMXXMC-GFCCVEGCSA-N 1 1 299.296 3.221 20 30 CGEDMO FC(F)(F)Oc1ccccc1N=NC1CC[N@H+]2CCC[C@@H]12 ZINC000777452221 628272205 /nfs/dbraw/zinc/27/22/05/628272205.db2.gz AAPJDGCSWMXXMC-LBPRGKRZSA-N 1 1 299.296 3.221 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000778088158 628324901 /nfs/dbraw/zinc/32/49/01/628324901.db2.gz OJFRGFGSPJMNKU-UHFFFAOYSA-N 1 1 281.783 3.484 20 30 CGEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000778230922 628336358 /nfs/dbraw/zinc/33/63/58/628336358.db2.gz IAJSTNVDAHUXQO-UHFFFAOYSA-N 1 1 274.408 3.431 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000778230922 628336363 /nfs/dbraw/zinc/33/63/63/628336363.db2.gz IAJSTNVDAHUXQO-UHFFFAOYSA-N 1 1 274.408 3.431 20 30 CGEDMO C#CCCCCCOC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC000778711088 628367261 /nfs/dbraw/zinc/36/72/61/628367261.db2.gz WMJXUXKHIIHHRO-UHFFFAOYSA-N 1 1 279.424 3.376 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000778981164 628381042 /nfs/dbraw/zinc/38/10/42/628381042.db2.gz MQVYDDVNTIVBBU-UONOGXRCSA-N 1 1 282.428 3.188 20 30 CGEDMO CC(=NNC1=[NH+]C[C@H](C)N1)c1ccc(-c2ccccc2)s1 ZINC000779804551 628433083 /nfs/dbraw/zinc/43/30/83/628433083.db2.gz FFOAQRHOJADNTK-NSHDSACASA-N 1 1 298.415 3.076 20 30 CGEDMO CC(=NNc1cc[nH+]cc1)c1ccc2cc(O)ccc2c1 ZINC000779812194 628434404 /nfs/dbraw/zinc/43/44/04/628434404.db2.gz OGCSZCCJOJBQEH-UHFFFAOYSA-N 1 1 277.327 3.198 20 30 CGEDMO c1ccc2c(c1)CCCCC2=NNc1cc[nH+]cc1 ZINC000779811766 628434512 /nfs/dbraw/zinc/43/45/12/628434512.db2.gz UQEUGDYPKXHTGR-UHFFFAOYSA-N 1 1 251.333 3.046 20 30 CGEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)O[C@H](C#N)CC)cc1 ZINC000781189129 628545626 /nfs/dbraw/zinc/54/56/26/628545626.db2.gz XCGPMNTWBSDCOI-INIZCTEOSA-N 1 1 288.391 3.377 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000782567505 628654382 /nfs/dbraw/zinc/65/43/82/628654382.db2.gz PWHACEIEMDNLON-OKILXGFUSA-N 1 1 280.412 3.036 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000805744037 628702821 /nfs/dbraw/zinc/70/28/21/628702821.db2.gz RIKWXUCOOQKQIB-INIZCTEOSA-N 1 1 294.826 3.115 20 30 CGEDMO C[C@H]1C[N@H+](C2CC2)CC1N=Nc1ccc(C#N)c(Cl)c1 ZINC000783874662 628754619 /nfs/dbraw/zinc/75/46/19/628754619.db2.gz CKULGAPROPNGRF-JTQLQIEISA-N 1 1 288.782 3.094 20 30 CGEDMO C[N@@H+](Cc1ccc(CC#N)cc1)Cc1ccc(Cl)nc1 ZINC000784158854 628788934 /nfs/dbraw/zinc/78/89/34/628788934.db2.gz DKUSAEAFLVHPSX-UHFFFAOYSA-N 1 1 285.778 3.433 20 30 CGEDMO CCCCCCCC[N@H+]1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000784356520 628808554 /nfs/dbraw/zinc/80/85/54/628808554.db2.gz PXKDPSACGBZERE-HZPDHXFCSA-N 1 1 281.440 3.417 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1cncc(OCc2ccccc2)c1 ZINC000785833021 628890658 /nfs/dbraw/zinc/89/06/58/628890658.db2.gz OOHNDVZJPSCNCG-OAHLLOKOSA-N 1 1 280.371 3.114 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cncc(OCc2ccccc2)c1 ZINC000785833021 628890660 /nfs/dbraw/zinc/89/06/60/628890660.db2.gz OOHNDVZJPSCNCG-OAHLLOKOSA-N 1 1 280.371 3.114 20 30 CGEDMO C#CCC[N@H+](C)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000805791409 628902330 /nfs/dbraw/zinc/90/23/30/628902330.db2.gz MDWUYKSALHVTHB-JKSUJKDBSA-N 1 1 257.377 3.188 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(OC(C)=O)cc1 ZINC000785998216 628906775 /nfs/dbraw/zinc/90/67/75/628906775.db2.gz ZHMIPFIIXXUGHS-HNNXBMFYSA-N 1 1 259.349 3.152 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000785998493 628906862 /nfs/dbraw/zinc/90/68/62/628906862.db2.gz GZMWQOILKDGNMQ-GJZGRUSLSA-N 1 1 294.439 3.284 20 30 CGEDMO N#Cc1ccccc1COC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000786877080 628968437 /nfs/dbraw/zinc/96/84/37/628968437.db2.gz CPGBXCBQDXVCDW-KRWDZBQOSA-N 1 1 298.386 3.008 20 30 CGEDMO C#CC[N@@H+](C)CCCCOc1cccc(C(F)(F)F)c1 ZINC000792297951 629355065 /nfs/dbraw/zinc/35/50/65/629355065.db2.gz AYHBAHWGJBMBML-UHFFFAOYSA-N 1 1 285.309 3.429 20 30 CGEDMO C#CC[N@H+](C)[C@H](CC)c1ccc(Br)cc1 ZINC000792302135 629355326 /nfs/dbraw/zinc/35/53/26/629355326.db2.gz NNADDPSBYLKNRQ-CYBMUJFWSA-N 1 1 266.182 3.465 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(OC(C)C)cc2)C1 ZINC000862442875 629375241 /nfs/dbraw/zinc/37/52/41/629375241.db2.gz ISYUTHROMNNIJZ-OAHLLOKOSA-N 1 1 257.377 3.319 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000862442728 629375274 /nfs/dbraw/zinc/37/52/74/629375274.db2.gz GLDGGOSUFPVKHI-NSHDSACASA-N 1 1 251.732 3.324 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cccc(OC(C)C)c2)C1 ZINC000862442965 629375385 /nfs/dbraw/zinc/37/53/85/629375385.db2.gz JINRPUQIOPVVLA-HNNXBMFYSA-N 1 1 257.377 3.319 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(OCC)c(OCC)c2)C1 ZINC000862442744 629375710 /nfs/dbraw/zinc/37/57/10/629375710.db2.gz HDCLIMXJTNZCQF-HNNXBMFYSA-N 1 1 287.403 3.329 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cn(C)nc2C2CCCCC2)C1 ZINC000862445394 629380076 /nfs/dbraw/zinc/38/00/76/629380076.db2.gz SEPQWIHPPOKWHL-HNNXBMFYSA-N 1 1 285.435 3.313 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CCC[C@](O)(c3ccccc3)C2)c1 ZINC000862482571 629385574 /nfs/dbraw/zinc/38/55/74/629385574.db2.gz JVSDPZBPSYXRMY-QGZVFWFLSA-N 1 1 298.411 3.103 20 30 CGEDMO C[C@@]12CC[N@@H+](CCCCC#N)C[C@@H]1C2(Cl)Cl ZINC000792901838 629390969 /nfs/dbraw/zinc/39/09/69/629390969.db2.gz GCNIPWCYZVYSHK-WDEREUQCSA-N 1 1 261.196 3.196 20 30 CGEDMO N#CCc1cccc2c1CC[N@H+](Cc1ccccc1O)C2 ZINC000862542468 629397222 /nfs/dbraw/zinc/39/72/22/629397222.db2.gz QCFWAQQNLJHOQM-UHFFFAOYSA-N 1 1 278.355 3.017 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)cc1 ZINC000793214572 629428546 /nfs/dbraw/zinc/42/85/46/629428546.db2.gz PCUODEMOCRSNER-BEFAXECRSA-N 1 1 299.414 3.088 20 30 CGEDMO c1cnn(N=C2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000863163605 629486940 /nfs/dbraw/zinc/48/69/40/629486940.db2.gz KJWLCTCTZMJQHH-QGZVFWFLSA-N 1 1 280.375 3.087 20 30 CGEDMO CC1(C)C(=[NH+]n2cccn2)C[C@H]1OCc1ccccc1 ZINC000863164406 629488135 /nfs/dbraw/zinc/48/81/35/629488135.db2.gz JBUGPUJVSHYUKW-OAHLLOKOSA-N 1 1 269.348 3.103 20 30 CGEDMO C[N@H+](Cc1ccccc1O)Cc1cccc(F)c1C#N ZINC000794411076 629540605 /nfs/dbraw/zinc/54/06/05/629540605.db2.gz KLKUBNMMGPPIIK-UHFFFAOYSA-N 1 1 270.307 3.035 20 30 CGEDMO C[N@@H+](Cc1ccccc1O)Cc1cccc(F)c1C#N ZINC000794411076 629540607 /nfs/dbraw/zinc/54/06/07/629540607.db2.gz KLKUBNMMGPPIIK-UHFFFAOYSA-N 1 1 270.307 3.035 20 30 CGEDMO CC1(C)CCC(=NNc2cc[nH+]cc2)c2ccccc21 ZINC000794857737 629590270 /nfs/dbraw/zinc/59/02/70/629590270.db2.gz MVVUIWIJQZJWOZ-UHFFFAOYSA-N 1 1 265.360 3.391 20 30 CGEDMO C#CCC[N@H+]1C[C@@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000795075776 629629872 /nfs/dbraw/zinc/62/98/72/629629872.db2.gz PVENDLFPVVTPOI-DOMZBBRYSA-N 1 1 297.320 3.491 20 30 CGEDMO C#CCC[N@@H+]1C[C@@H](C)O[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000795075776 629629875 /nfs/dbraw/zinc/62/98/75/629629875.db2.gz PVENDLFPVVTPOI-DOMZBBRYSA-N 1 1 297.320 3.491 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795098469 629630827 /nfs/dbraw/zinc/63/08/27/629630827.db2.gz JOQBFLHGBHCBDJ-GJZGRUSLSA-N 1 1 294.439 3.284 20 30 CGEDMO C#CCC[N@@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000795398025 629669666 /nfs/dbraw/zinc/66/96/66/629669666.db2.gz TYJPRMHNDXKPJL-LBPRGKRZSA-N 1 1 280.774 3.013 20 30 CGEDMO C=CC[N@H+](CCOC)[C@H]1CCc2cc(Cl)ccc21 ZINC000796031152 629738502 /nfs/dbraw/zinc/73/85/02/629738502.db2.gz DHPJVZKOEAPNBW-HNNXBMFYSA-N 1 1 265.784 3.462 20 30 CGEDMO CCCCCCCC[N@H+]1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000796378355 629773683 /nfs/dbraw/zinc/77/36/83/629773683.db2.gz PWWNMVSMEPQNOY-DLBZAZTESA-N 1 1 282.472 3.142 20 30 CGEDMO CCCCCCC[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000796560102 629800011 /nfs/dbraw/zinc/80/00/11/629800011.db2.gz MSWCZERZDFRUHT-INIZCTEOSA-N 1 1 269.429 3.227 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H]1c1nc(C)no1 ZINC000796696560 629815982 /nfs/dbraw/zinc/81/59/82/629815982.db2.gz SPNUOBRIUYLASY-ZDUSSCGKSA-N 1 1 251.374 3.485 20 30 CGEDMO C=CCC[C@@H](NCC[N@H+]1CCC[C@@H]1C)c1ccco1 ZINC000796785304 629833593 /nfs/dbraw/zinc/83/35/93/629833593.db2.gz XBZXQVFBAQPPHT-LSDHHAIUSA-N 1 1 262.397 3.361 20 30 CGEDMO C=CCC[C@@H](NCC[N@@H+]1CCC[C@@H]1C)c1ccco1 ZINC000796785304 629833596 /nfs/dbraw/zinc/83/35/96/629833596.db2.gz XBZXQVFBAQPPHT-LSDHHAIUSA-N 1 1 262.397 3.361 20 30 CGEDMO C=C(Cl)C[S@](=O)Cc1c(C)cc(C)[nH+]c1C ZINC000864485764 629843395 /nfs/dbraw/zinc/84/33/95/629843395.db2.gz VWBNGYZJYVDHLV-INIZCTEOSA-N 1 1 257.786 3.008 20 30 CGEDMO C=CCC[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccco1 ZINC000796950100 629864576 /nfs/dbraw/zinc/86/45/76/629864576.db2.gz SAUSBHUHUVRHFI-HNNXBMFYSA-N 1 1 267.332 3.343 20 30 CGEDMO COCCc1cc[nH+]c(N[C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000797042416 629876315 /nfs/dbraw/zinc/87/63/15/629876315.db2.gz IOJKORHASPRDQX-LBPRGKRZSA-N 1 1 299.349 3.454 20 30 CGEDMO CC1=CCC[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000798089939 630021926 /nfs/dbraw/zinc/02/19/26/630021926.db2.gz BEDGWANLPJXPAF-AWEZNQCLSA-N 1 1 256.349 3.129 20 30 CGEDMO CC(=[NH+]Nc1cccc(C)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000799105303 630142758 /nfs/dbraw/zinc/14/27/58/630142758.db2.gz SQNLNTVXDRECKI-UHFFFAOYSA-N 1 1 284.319 3.322 20 30 CGEDMO COc1ccccc1CON=Cc1[nH+]c(C)n2ccccc12 ZINC000799117711 630146490 /nfs/dbraw/zinc/14/64/90/630146490.db2.gz NTTCESWXSVBRFN-UHFFFAOYSA-N 1 1 295.342 3.202 20 30 CGEDMO CCCCCCCCCC[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000800467972 630283111 /nfs/dbraw/zinc/28/31/11/630283111.db2.gz CDRFQSQRMPBPED-HNNXBMFYSA-N 1 1 289.485 3.246 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000801909282 630364355 /nfs/dbraw/zinc/36/43/55/630364355.db2.gz ABONTDZVOVVSTD-SWLSCSKDSA-N 1 1 278.783 3.406 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000801925748 630367768 /nfs/dbraw/zinc/36/77/68/630367768.db2.gz INJKTLMDPHBLFT-LPHOPBHVSA-N 1 1 298.430 3.285 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000801954448 630373210 /nfs/dbraw/zinc/37/32/10/630373210.db2.gz HZCIJTDHLQEPCG-NRSFXHEJSA-N 1 1 284.403 3.326 20 30 CGEDMO C=CCC[N@@H+](C)CN1Cc2cc(C(F)(F)F)ccc2C1=O ZINC000802739455 630406819 /nfs/dbraw/zinc/40/68/19/630406819.db2.gz UXKVENFUIXTMNZ-UHFFFAOYSA-N 1 1 298.308 3.127 20 30 CGEDMO C=CCC[N@H+](C)CN1Cc2cc(C(F)(F)F)ccc2C1=O ZINC000802739455 630406824 /nfs/dbraw/zinc/40/68/24/630406824.db2.gz UXKVENFUIXTMNZ-UHFFFAOYSA-N 1 1 298.308 3.127 20 30 CGEDMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)CCO[C@H](C)C#N ZINC000808762140 630676137 /nfs/dbraw/zinc/67/61/37/630676137.db2.gz XGKHDHQUXABEMY-CJNGLKHVSA-N 1 1 276.380 3.007 20 30 CGEDMO C#Cc1ccc(C[N@@H+](CCC)C[C@H]2CCCCO2)cc1 ZINC000809568755 630752007 /nfs/dbraw/zinc/75/20/07/630752007.db2.gz WRUNFVSRJHXJID-GOSISDBHSA-N 1 1 271.404 3.449 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)OCC)C2)cc1 ZINC000809594839 630756346 /nfs/dbraw/zinc/75/63/46/630756346.db2.gz BFASIAOAEVEXCS-QGZVFWFLSA-N 1 1 299.414 3.223 20 30 CGEDMO C#Cc1ccc(CNC2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000809612009 630762399 /nfs/dbraw/zinc/76/23/99/630762399.db2.gz UCFPQQFZYVABMV-UHFFFAOYSA-N 1 1 296.458 3.412 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H](C(C)(C)C(=O)OC)C2)cc1 ZINC000809636541 630770373 /nfs/dbraw/zinc/77/03/73/630770373.db2.gz YABJNNLCYPGIJW-QGZVFWFLSA-N 1 1 299.414 3.079 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H](CC(=O)OC(C)C)C2)cc1 ZINC000809640175 630772238 /nfs/dbraw/zinc/77/22/38/630772238.db2.gz BTQDLKCUSFKXOZ-GOSISDBHSA-N 1 1 299.414 3.222 20 30 CGEDMO C[C@@H]1C[C@H]([NH2+]Cc2nc(C#N)cs2)c2ccccc21 ZINC000810144349 630845583 /nfs/dbraw/zinc/84/55/83/630845583.db2.gz WQGLZSRCMWURIC-YGRLFVJLSA-N 1 1 269.373 3.353 20 30 CGEDMO C=CCCCCCN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810428044 630877211 /nfs/dbraw/zinc/87/72/11/630877211.db2.gz QRCUYAOOIULTMG-QGZVFWFLSA-N 1 1 298.446 3.404 20 30 CGEDMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)OCC(C)(C)CCC#N)C1 ZINC000810825089 630952661 /nfs/dbraw/zinc/95/26/61/630952661.db2.gz JNYDHEMWMWNOCR-INIZCTEOSA-N 1 1 298.402 3.072 20 30 CGEDMO C=CC[C@H](C)[N@@H+](C)Cc1nc(-c2cccs2)no1 ZINC000878599156 635565232 /nfs/dbraw/zinc/56/52/32/635565232.db2.gz UZPDFVOJQOZPCZ-JTQLQIEISA-N 1 1 263.366 3.195 20 30 CGEDMO C=C(C)CNN=C1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000811651628 631099193 /nfs/dbraw/zinc/09/91/93/631099193.db2.gz HTOMAXNZZNULIY-QZTJIDSGSA-N 1 1 297.446 3.440 20 30 CGEDMO CCCCCCCC[N@H+]1CCOC[C@H]1CCOC ZINC000812886959 631328664 /nfs/dbraw/zinc/32/86/64/631328664.db2.gz PQCJOGJQKNECPL-OAHLLOKOSA-N 1 1 257.418 3.084 20 30 CGEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000876513858 634849898 /nfs/dbraw/zinc/84/98/98/634849898.db2.gz QKELQWASVDSIKA-SFHVURJKSA-N 1 1 294.402 3.289 20 30 CGEDMO C#CC[N@@H+](CCC[C@@H]1CCO1)[C@H]1CCc2ccccc21 ZINC000876513688 634850017 /nfs/dbraw/zinc/85/00/17/634850017.db2.gz OUYVJJUCHUUBGP-AEFFLSMTSA-N 1 1 269.388 3.178 20 30 CGEDMO CC(=[NH+]NCCCc1ccccc1)c1cc(N)ccc1F ZINC000814838058 631652712 /nfs/dbraw/zinc/65/27/12/631652712.db2.gz XJPSTNDQUFYGEJ-UHFFFAOYSA-N 1 1 285.366 3.354 20 30 CGEDMO CC(=[NH+]NCc1cccc(C)c1)c1cc(F)c(N)c(F)c1 ZINC000814873203 631661316 /nfs/dbraw/zinc/66/13/16/631661316.db2.gz RJYOCPCOVNGVGS-UHFFFAOYSA-N 1 1 289.329 3.369 20 30 CGEDMO C(=NNc1cc[nH+]cc1)c1ccc(C2CCC2)cc1 ZINC000814899920 631670672 /nfs/dbraw/zinc/67/06/72/631670672.db2.gz VHXZUVFJUXTMKG-UHFFFAOYSA-N 1 1 251.333 3.217 20 30 CGEDMO CCC(CC)CN[NH+]=C(C)c1cc(N)ccc1F ZINC000814906302 631674598 /nfs/dbraw/zinc/67/45/98/631674598.db2.gz OTWIFPDYTIONRR-UHFFFAOYSA-N 1 1 251.349 3.158 20 30 CGEDMO C=CC1CC[NH+](Cc2ccnc(Br)c2)CC1 ZINC000815045948 631706531 /nfs/dbraw/zinc/70/65/31/631706531.db2.gz DEFPMDTVRXSIEM-UHFFFAOYSA-N 1 1 281.197 3.242 20 30 CGEDMO C#CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1 ZINC000815092834 631715279 /nfs/dbraw/zinc/71/52/79/631715279.db2.gz SOBWQDTXILORGM-UHFFFAOYSA-N 1 1 298.264 3.211 20 30 CGEDMO C#CC[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1 ZINC000815092834 631715284 /nfs/dbraw/zinc/71/52/84/631715284.db2.gz SOBWQDTXILORGM-UHFFFAOYSA-N 1 1 298.264 3.211 20 30 CGEDMO C[C@]1(C#N)CCC[N@H+](C[C@@H](O)c2cc3ccccc3o2)C1 ZINC000815091247 631715561 /nfs/dbraw/zinc/71/55/61/631715561.db2.gz OFMMSMKKONCEDN-RHSMWYFYSA-N 1 1 284.359 3.092 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](C[C@@H](O)c2cc3ccccc3o2)C1 ZINC000815091247 631715567 /nfs/dbraw/zinc/71/55/67/631715567.db2.gz OFMMSMKKONCEDN-RHSMWYFYSA-N 1 1 284.359 3.092 20 30 CGEDMO C#CCC[N@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000815110923 631719172 /nfs/dbraw/zinc/71/91/72/631719172.db2.gz DMNBANRGSMNQGK-ZDUSSCGKSA-N 1 1 279.181 3.004 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000815110923 631719176 /nfs/dbraw/zinc/71/91/76/631719176.db2.gz DMNBANRGSMNQGK-ZDUSSCGKSA-N 1 1 279.181 3.004 20 30 CGEDMO C#CC[N@H+](C/C(C)=C\c1ccccc1COC)C1CC1 ZINC000816570047 632016598 /nfs/dbraw/zinc/01/65/98/632016598.db2.gz GFVHFXGANOUBOK-QINSGFPZSA-N 1 1 269.388 3.334 20 30 CGEDMO CC(C)[N@@H+](CCO[C@H](C)C#N)[C@H](C)c1ccsc1 ZINC000817286370 632114870 /nfs/dbraw/zinc/11/48/70/632114870.db2.gz KBMWGNBTANUYTL-CHWSQXEVSA-N 1 1 266.410 3.448 20 30 CGEDMO CC(C)[N@@H+](CCO[C@@H](C)C#N)[C@@H](C)c1ccsc1 ZINC000817286377 632114895 /nfs/dbraw/zinc/11/48/95/632114895.db2.gz KBMWGNBTANUYTL-STQMWFEESA-N 1 1 266.410 3.448 20 30 CGEDMO Cc1nsc(C)c1C[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879433413 635787444 /nfs/dbraw/zinc/78/74/44/635787444.db2.gz ZDOZXXQHQZWPET-UHFFFAOYSA-N 1 1 285.416 3.306 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879566526 635813035 /nfs/dbraw/zinc/81/30/35/635813035.db2.gz VZQAKCNAQHGEAL-KGLIPLIRSA-N 1 1 266.454 3.391 20 30 CGEDMO N#CCCC[C@@H]([NH3+])c1nc(CCC2CCCCC2)no1 ZINC000822755913 633016920 /nfs/dbraw/zinc/01/69/20/633016920.db2.gz NBOIABJXCUNXAV-CYBMUJFWSA-N 1 1 276.384 3.276 20 30 CGEDMO C[C@H](C#N)C[N@@H+](CC[C@H]1CC1(Cl)Cl)C1CC1 ZINC000822780802 633021149 /nfs/dbraw/zinc/02/11/49/633021149.db2.gz VISXORKKNUICMW-ZJUUUORDSA-N 1 1 261.196 3.194 20 30 CGEDMO Cc1nc(C)c(C[NH2+][C@H](C)c2cccc(C#N)c2O)s1 ZINC000866274247 633057793 /nfs/dbraw/zinc/05/77/93/633057793.db2.gz YGFAEUNKEVKDPB-SECBINFHSA-N 1 1 287.388 3.188 20 30 CGEDMO CCCCCCCC[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000823468107 633110439 /nfs/dbraw/zinc/11/04/39/633110439.db2.gz CBVADRPLBNBKOL-OAHLLOKOSA-N 1 1 264.417 3.276 20 30 CGEDMO C[C@@H](O)[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccccc1 ZINC000866393123 633120605 /nfs/dbraw/zinc/12/06/05/633120605.db2.gz KURZFTFIHLPCAA-OGHNNQOOSA-N 1 1 296.370 3.037 20 30 CGEDMO C#CCCCCCC[NH+]1CCN(C2CCCC2)CC1 ZINC000876565331 634858694 /nfs/dbraw/zinc/85/86/94/634858694.db2.gz UHCJKGORWYHRFW-UHFFFAOYSA-N 1 1 262.441 3.130 20 30 CGEDMO N#Cc1ccc(C[N@@H+](Cc2ccc(Cl)nn2)C2CC2)cc1 ZINC000876570492 634860265 /nfs/dbraw/zinc/86/02/65/634860265.db2.gz DTFXHLHMERMFRH-UHFFFAOYSA-N 1 1 298.777 3.166 20 30 CGEDMO N#Cc1ccc(C[N@H+](Cc2ccc(Cl)nn2)C2CC2)cc1 ZINC000876570492 634860266 /nfs/dbraw/zinc/86/02/66/634860266.db2.gz DTFXHLHMERMFRH-UHFFFAOYSA-N 1 1 298.777 3.166 20 30 CGEDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000826862022 633438134 /nfs/dbraw/zinc/43/81/34/633438134.db2.gz RFOORMVSZXOIHF-HNNXBMFYSA-N 1 1 271.408 3.187 20 30 CGEDMO Cc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)cnc1Cl ZINC000826861696 633438282 /nfs/dbraw/zinc/43/82/82/633438282.db2.gz IYAXUPSMLFLUPC-LBPRGKRZSA-N 1 1 263.772 3.169 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)cnc1Cl ZINC000826861696 633438287 /nfs/dbraw/zinc/43/82/87/633438287.db2.gz IYAXUPSMLFLUPC-LBPRGKRZSA-N 1 1 263.772 3.169 20 30 CGEDMO CC(C)c1ncc(C[N@@H+]2CCC[C@H](CC#N)C2)s1 ZINC000826861502 633438321 /nfs/dbraw/zinc/43/83/21/633438321.db2.gz GJBUPBUIXFVKKO-GFCCVEGCSA-N 1 1 263.410 3.392 20 30 CGEDMO CC(C)c1ncc(C[N@H+]2CCC[C@H](CC#N)C2)s1 ZINC000826861502 633438322 /nfs/dbraw/zinc/43/83/22/633438322.db2.gz GJBUPBUIXFVKKO-GFCCVEGCSA-N 1 1 263.410 3.392 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000826946464 633445295 /nfs/dbraw/zinc/44/52/95/633445295.db2.gz HJKJAFJOOFKOOL-SNVBAGLBSA-N 1 1 273.302 3.217 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000826946464 633445297 /nfs/dbraw/zinc/44/52/97/633445297.db2.gz HJKJAFJOOFKOOL-SNVBAGLBSA-N 1 1 273.302 3.217 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](Cc2ccccc2N2CCCCC2)C1 ZINC000827649344 633507504 /nfs/dbraw/zinc/50/75/04/633507504.db2.gz ITUKEUKXZWRFRU-GOSISDBHSA-N 1 1 283.419 3.412 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](Cc2ccccc2N2CCCCC2)C1 ZINC000827649344 633507511 /nfs/dbraw/zinc/50/75/11/633507511.db2.gz ITUKEUKXZWRFRU-GOSISDBHSA-N 1 1 283.419 3.412 20 30 CGEDMO CC#CCCCC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000870123947 633533789 /nfs/dbraw/zinc/53/37/89/633533789.db2.gz WBOFSALHKKEJSE-QGZVFWFLSA-N 1 1 298.430 3.085 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC[NH2+][C@@H](c2ccccc2C)C1 ZINC000827916776 633534832 /nfs/dbraw/zinc/53/48/32/633534832.db2.gz NECZPPKIXINJKB-DOTOQJQBSA-N 1 1 286.419 3.070 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)C[C@@H]2CC2(C)C)cc1 ZINC000827942113 633538067 /nfs/dbraw/zinc/53/80/67/633538067.db2.gz MRTGFMPYPKZDIM-HIFRSBDPSA-N 1 1 272.392 3.455 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)C[C@H]2CC2(C)C)cc1 ZINC000827942115 633538295 /nfs/dbraw/zinc/53/82/95/633538295.db2.gz MRTGFMPYPKZDIM-UKRRQHHQSA-N 1 1 272.392 3.455 20 30 CGEDMO C#CC[N@H+](C[C@@H](O)[C@@H](C)c1ccccc1)C1CCCC1 ZINC000828036444 633551250 /nfs/dbraw/zinc/55/12/50/633551250.db2.gz KSSGMUXPIRDTSD-MAUKXSAKSA-N 1 1 271.404 3.029 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@]1(C)Cc1cccc(F)c1 ZINC000829226658 633714977 /nfs/dbraw/zinc/71/49/77/633714977.db2.gz SHSJQXDXFGASEY-WMLDXEAASA-N 1 1 290.382 3.151 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccccc2OCC)C1 ZINC000829774419 633781015 /nfs/dbraw/zinc/78/10/15/633781015.db2.gz PVQWCTNSVLTGFQ-HNNXBMFYSA-N 1 1 257.377 3.321 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2noc(-c3ccsc3)n2)C1 ZINC000829773111 633781193 /nfs/dbraw/zinc/78/11/93/633781193.db2.gz ATHLQYUDZKUDIF-GFCCVEGCSA-N 1 1 287.388 3.033 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2noc(-c3ccsc3)n2)C1 ZINC000829773111 633781200 /nfs/dbraw/zinc/78/12/00/633781200.db2.gz ATHLQYUDZKUDIF-GFCCVEGCSA-N 1 1 287.388 3.033 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2)C1 ZINC000829784389 633781950 /nfs/dbraw/zinc/78/19/50/633781950.db2.gz IWJYXGFFHQQXQJ-CYBMUJFWSA-N 1 1 290.794 3.014 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2ccn(-c3ccccc3)n2)C1 ZINC000829779468 633782845 /nfs/dbraw/zinc/78/28/45/633782845.db2.gz VQFBLJIILZGEKN-MRXNPFEDSA-N 1 1 279.387 3.108 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000829784899 633784061 /nfs/dbraw/zinc/78/40/61/633784061.db2.gz NYJSVDDSHIQOEO-LBPRGKRZSA-N 1 1 292.766 3.484 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000829785037 633784338 /nfs/dbraw/zinc/78/43/38/633784338.db2.gz PTPDMLHLPZDTDU-QGZVFWFLSA-N 1 1 293.414 3.167 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2nc3cc(F)ccc3n2CC)C1 ZINC000829805424 633789449 /nfs/dbraw/zinc/78/94/49/633789449.db2.gz SZHBCEVRXNTEBR-AWEZNQCLSA-N 1 1 299.393 3.431 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000829804011 633789890 /nfs/dbraw/zinc/78/98/90/633789890.db2.gz DTVFEIBIRMDJMJ-INIZCTEOSA-N 1 1 291.398 3.379 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](C[C@H](O)c2ccccc2Cl)C1 ZINC000829815364 633795157 /nfs/dbraw/zinc/79/51/57/633795157.db2.gz KLFINOWLBLUDMN-CJNGLKHVSA-N 1 1 277.795 3.109 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](CCCC(=O)c2ccccc2)C1 ZINC000829814906 633795650 /nfs/dbraw/zinc/79/56/50/633795650.db2.gz BVPIATWDAFOPKD-INIZCTEOSA-N 1 1 269.388 3.385 20 30 CGEDMO C=C1CCC(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC000830985348 633904496 /nfs/dbraw/zinc/90/44/96/633904496.db2.gz QYACLJLBKHLYNV-CQSZACIVSA-N 1 1 289.423 3.259 20 30 CGEDMO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(C(F)(F)F)nc1 ZINC000871935708 633920607 /nfs/dbraw/zinc/92/06/07/633920607.db2.gz AYRGHVNWEXDZSN-WDEREUQCSA-N 1 1 296.296 3.195 20 30 CGEDMO C[C@@H]1CCC[C@@H](C2C[NH+](C[C@@H](C#N)CCC#N)C2)C1 ZINC000871991431 633934741 /nfs/dbraw/zinc/93/47/41/633934741.db2.gz WZEUYGKOPRZMOO-RBSFLKMASA-N 1 1 259.397 3.188 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)cc1 ZINC000846118131 636147210 /nfs/dbraw/zinc/14/72/10/636147210.db2.gz UABVPULQHDSAAP-MRXNPFEDSA-N 1 1 291.341 3.320 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000831818673 634004255 /nfs/dbraw/zinc/00/42/55/634004255.db2.gz NGGIWJKMLBZUDA-UHFFFAOYSA-N 1 1 288.819 3.118 20 30 CGEDMO C=C(Cl)C[N@H+](C)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000831818673 634004262 /nfs/dbraw/zinc/00/42/62/634004262.db2.gz NGGIWJKMLBZUDA-UHFFFAOYSA-N 1 1 288.819 3.118 20 30 CGEDMO C=CCCCC[N@@H+](C)Cc1csc(C(C)(C)O)n1 ZINC000832389186 634056261 /nfs/dbraw/zinc/05/62/61/634056261.db2.gz DACMZVGRTZNQHE-UHFFFAOYSA-N 1 1 268.426 3.159 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1csc(C(C)(C)O)n1 ZINC000832389186 634056265 /nfs/dbraw/zinc/05/62/65/634056265.db2.gz DACMZVGRTZNQHE-UHFFFAOYSA-N 1 1 268.426 3.159 20 30 CGEDMO C=C(Cl)C[C@H]([NH3+])c1nc([C@H]2CCc3ccccc32)no1 ZINC000872174054 634077392 /nfs/dbraw/zinc/07/73/92/634077392.db2.gz CFXIWCLGEPBSAX-STQMWFEESA-N 1 1 289.766 3.290 20 30 CGEDMO C=C(Cl)C[C@H]([NH3+])c1nc([C@H]2CCCCS2)no1 ZINC000872177473 634079143 /nfs/dbraw/zinc/07/91/43/634079143.db2.gz AOAPAFRJAZJCEP-DTWKUNHWSA-N 1 1 273.789 3.170 20 30 CGEDMO C=CC(C)(C)CCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC000832710776 634083058 /nfs/dbraw/zinc/08/30/58/634083058.db2.gz NVUZJNULPMRYBW-UHFFFAOYSA-N 1 1 277.412 3.115 20 30 CGEDMO C[N@@H+](Cc1cc2c(cc1O)CCCC2)[C@H]1CCC[C@H]1C#N ZINC000872684512 634186878 /nfs/dbraw/zinc/18/68/78/634186878.db2.gz OJHRENGNWAGHSR-RDJZCZTQSA-N 1 1 284.403 3.395 20 30 CGEDMO C=CC(C)(C)CCC[NH2+]Cc1ccnn1-c1ccncc1 ZINC000873151190 634258160 /nfs/dbraw/zinc/25/81/60/634258160.db2.gz CLTRSQHFICJRPS-UHFFFAOYSA-N 1 1 284.407 3.349 20 30 CGEDMO C#Cc1cccc(C[NH2+][C@@H](C)c2csc(C)n2)c1 ZINC000834903031 634280522 /nfs/dbraw/zinc/28/05/22/634280522.db2.gz NWKWKOMTMWYQGT-NSHDSACASA-N 1 1 256.374 3.284 20 30 CGEDMO FC(F)Oc1ccc(N[NH2+]C=C2CC2(F)F)cc1 ZINC000834952465 634292595 /nfs/dbraw/zinc/29/25/95/634292595.db2.gz SIPJXZMAADHORW-ZETCQYMHSA-N 1 1 262.206 3.341 20 30 CGEDMO COC(=O)c1ccc(N[NH2+]C=C2CC2(F)F)cc1Cl ZINC000834974148 634299792 /nfs/dbraw/zinc/29/97/92/634299792.db2.gz UMVGJFYAZXQHCD-SSDOTTSWSA-N 1 1 288.681 3.180 20 30 CGEDMO C=CCON=CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000835015258 634318024 /nfs/dbraw/zinc/31/80/24/634318024.db2.gz GETWFYLHZNKQGG-UHFFFAOYSA-N 1 1 260.381 3.333 20 30 CGEDMO Cc1cccc(O)c1C[N@@H+](CCC#N)CC(C)(C)C ZINC000876692130 634881980 /nfs/dbraw/zinc/88/19/80/634881980.db2.gz XPGROBHVFYTJLL-UHFFFAOYSA-N 1 1 260.381 3.462 20 30 CGEDMO C=C[C@@](C)(CCOC)C(=O)OC[C@@H]1CCCC[N@H+]1C(C)C ZINC000837656028 634959423 /nfs/dbraw/zinc/95/94/23/634959423.db2.gz LRJOSBOPCGCFEW-RDJZCZTQSA-N 1 1 297.439 3.021 20 30 CGEDMO C=CCCCCCOC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000837885353 635003569 /nfs/dbraw/zinc/00/35/69/635003569.db2.gz DKMQWNJSPUBBCR-UHFFFAOYSA-N 1 1 285.347 3.171 20 30 CGEDMO C#CCCCCCC[N@@H+]1CC[C@]2(C1)c1ccccc1NC2=O ZINC000877429011 635039326 /nfs/dbraw/zinc/03/93/26/635039326.db2.gz RGKQUIWPMVXHCS-IBGZPJMESA-N 1 1 296.414 3.166 20 30 CGEDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000877532662 635075475 /nfs/dbraw/zinc/07/54/75/635075475.db2.gz WKBNMPMOCDGEDK-GWCFXTLKSA-N 1 1 263.772 3.370 20 30 CGEDMO C#C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000877541496 635080733 /nfs/dbraw/zinc/08/07/33/635080733.db2.gz OXGPRSRMESURCV-RCBQFDQVSA-N 1 1 276.811 3.087 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC[C@@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000877672310 635141397 /nfs/dbraw/zinc/14/13/97/635141397.db2.gz BGRYQTMNVMNNLR-WOJBJXKFSA-N 1 1 291.394 3.366 20 30 CGEDMO CCOc1cncc(C[N@@H+](C)CCc2cccc(C#N)c2)c1 ZINC000877705196 635156658 /nfs/dbraw/zinc/15/66/58/635156658.db2.gz VSFLNHYELCXMLY-UHFFFAOYSA-N 1 1 295.386 3.026 20 30 CGEDMO COc1ccsc1C[N@@H+](C)CCc1cccc(C#N)c1 ZINC000877704933 635156673 /nfs/dbraw/zinc/15/66/73/635156673.db2.gz XTJZQBBBMJTJOV-UHFFFAOYSA-N 1 1 286.400 3.303 20 30 CGEDMO C[C@@H](CC#N)NN=C1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000841633071 635203142 /nfs/dbraw/zinc/20/31/42/635203142.db2.gz NBJFZEGISHKWNB-KBXCAEBGSA-N 1 1 296.418 3.234 20 30 CGEDMO CC1(C)CCc2onc(C[NH2+][C@H]3CCC[C@@H](C#N)C3)c2C1 ZINC000877810335 635213892 /nfs/dbraw/zinc/21/38/92/635213892.db2.gz ROVBHAXSIQTVJR-OLZOCXBDSA-N 1 1 287.407 3.361 20 30 CGEDMO COc1ccc(C(N)=[NH+]OCC2CCC(F)(F)CC2)cc1 ZINC000842020862 635256636 /nfs/dbraw/zinc/25/66/36/635256636.db2.gz GSTQSADVQYFHLW-UHFFFAOYSA-N 1 1 298.333 3.158 20 30 CGEDMO C#CCCCCC[N@H+](C)Cc1ccc(OC)c(OC)c1 ZINC000877931700 635276574 /nfs/dbraw/zinc/27/65/74/635276574.db2.gz DXPILQPFORFJDC-UHFFFAOYSA-N 1 1 275.392 3.329 20 30 CGEDMO C=CC[NH+](CC=C)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000877957563 635288516 /nfs/dbraw/zinc/28/85/16/635288516.db2.gz AUUWZBHDRYMZJM-SFHVURJKSA-N 1 1 282.387 3.101 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@H+](C(C)C)C1CC1)c1ccccc1 ZINC000877965066 635292391 /nfs/dbraw/zinc/29/23/91/635292391.db2.gz RPXKECBOZABDQO-GOSISDBHSA-N 1 1 284.403 3.300 20 30 CGEDMO C[C@H](C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1)c1ccccc1 ZINC000842147816 635296199 /nfs/dbraw/zinc/29/61/99/635296199.db2.gz JKAKXEXHVKRVHU-BEFAXECRSA-N 1 1 294.398 3.327 20 30 CGEDMO CCCCCCCCC[N@H+]1C[C@@H](C)N(CCO)C[C@@H]1C ZINC000842162861 635301917 /nfs/dbraw/zinc/30/19/17/635301917.db2.gz IWINCAVVWSZHLP-DLBZAZTESA-N 1 1 284.488 3.124 20 30 CGEDMO CC[N@@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)C(C)C ZINC000877982773 635306001 /nfs/dbraw/zinc/30/60/01/635306001.db2.gz AWNZRGCSHKWTPR-QGZVFWFLSA-N 1 1 272.392 3.157 20 30 CGEDMO C#CCCCCCN1CC[NH+](CCc2cccs2)CC1 ZINC000877991899 635311282 /nfs/dbraw/zinc/31/12/82/635311282.db2.gz GCTWMSWINRLSHG-UHFFFAOYSA-N 1 1 290.476 3.102 20 30 CGEDMO C=CCCCCC[N@@H+](C)Cc1nccn1CC(F)F ZINC000878125131 635368497 /nfs/dbraw/zinc/36/84/97/635368497.db2.gz MVWDIHPVFAJCHX-UHFFFAOYSA-N 1 1 271.355 3.326 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1nccn1CC(F)F ZINC000878125131 635368502 /nfs/dbraw/zinc/36/85/02/635368502.db2.gz MVWDIHPVFAJCHX-UHFFFAOYSA-N 1 1 271.355 3.326 20 30 CGEDMO FC(F)CON=C1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000842529620 635392300 /nfs/dbraw/zinc/39/23/00/635392300.db2.gz FILMLFMNWZWRMP-UHFFFAOYSA-N 1 1 294.345 3.453 20 30 CGEDMO CCC(=[NH+]NC12CC(C1)C2)c1ccc(Cl)c(N)c1 ZINC000842543060 635396458 /nfs/dbraw/zinc/39/64/58/635396458.db2.gz BRZZGDNAUNFGCZ-UHFFFAOYSA-N 1 1 263.772 3.178 20 30 CGEDMO C[C@@H]1CC[N@H+](Cc2ccccc2)CC1=NNC12CC(C1)C2 ZINC000842546024 635399539 /nfs/dbraw/zinc/39/95/39/635399539.db2.gz CAUOZVVRBOBNRO-MXWWQKGMSA-N 1 1 283.419 3.027 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CC1=NNC12CC(C1)C2 ZINC000842546024 635399543 /nfs/dbraw/zinc/39/95/43/635399543.db2.gz CAUOZVVRBOBNRO-MXWWQKGMSA-N 1 1 283.419 3.027 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000878255566 635433138 /nfs/dbraw/zinc/43/31/38/635433138.db2.gz RYAGNBQRXRDCTR-MELADBBJSA-N 1 1 282.428 3.186 20 30 CGEDMO C=C(C)[C@H](CC(=O)OC[C@@H]1CCC[N@H+](C(C)C)C1)OCC ZINC000842831139 635485915 /nfs/dbraw/zinc/48/59/15/635485915.db2.gz QCVDZTJDLSQBAU-CVEARBPZSA-N 1 1 297.439 3.021 20 30 CGEDMO C#CC(C)(C)[N@H+](C)CC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000878514671 635538203 /nfs/dbraw/zinc/53/82/03/635538203.db2.gz ZGXPMQVHEMUXAS-TXEJJXNPSA-N 1 1 289.341 3.268 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)CC(=O)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000878514671 635538209 /nfs/dbraw/zinc/53/82/09/635538209.db2.gz ZGXPMQVHEMUXAS-TXEJJXNPSA-N 1 1 289.341 3.268 20 30 CGEDMO C#CCCCCC[N@H+](Cc1cnn(CC)c1)C(C)C ZINC000878807896 635634275 /nfs/dbraw/zinc/63/42/75/635634275.db2.gz UPZTUMAIVFGGTK-UHFFFAOYSA-N 1 1 261.413 3.307 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2coc(-c3ccccc3OC)n2)C1 ZINC000878843903 635640282 /nfs/dbraw/zinc/64/02/82/635640282.db2.gz LXVOOBDQRQSXIS-CQSZACIVSA-N 1 1 296.370 3.195 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2coc(-c3ccccc3OC)n2)C1 ZINC000878843903 635640285 /nfs/dbraw/zinc/64/02/85/635640285.db2.gz LXVOOBDQRQSXIS-CQSZACIVSA-N 1 1 296.370 3.195 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000878903555 635654548 /nfs/dbraw/zinc/65/45/48/635654548.db2.gz GEXCYJMTPGGRSW-DZGCQCFKSA-N 1 1 267.376 3.384 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](C[C@H]2CCC3(CCOCC3)CO2)C1 ZINC000878914431 635657229 /nfs/dbraw/zinc/65/72/29/635657229.db2.gz CUNBAMCWVCQPQW-DLBZAZTESA-N 1 1 293.451 3.250 20 30 CGEDMO C=CC[N@@H+](C[C@H]1CCC2(CCOCC2)CO1)C(C)(C)C ZINC000878949797 635663346 /nfs/dbraw/zinc/66/33/46/635663346.db2.gz KJFMTMWRCSAXTF-OAHLLOKOSA-N 1 1 281.440 3.249 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CC[C@H](c3cccnc3)C2)cc1 ZINC000843419678 635665591 /nfs/dbraw/zinc/66/55/91/635665591.db2.gz OUQIOVSCSDATJT-SFHVURJKSA-N 1 1 292.382 3.083 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2ccnc(Cl)c2F)C1 ZINC000843423518 635667119 /nfs/dbraw/zinc/66/71/19/635667119.db2.gz OAXQNCIOXSQZER-LLVKDONJSA-N 1 1 266.747 3.109 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccnc(Cl)c2F)C1 ZINC000843423518 635667121 /nfs/dbraw/zinc/66/71/21/635667121.db2.gz OAXQNCIOXSQZER-LLVKDONJSA-N 1 1 266.747 3.109 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000843424694 635669760 /nfs/dbraw/zinc/66/97/60/635669760.db2.gz ZBUGODUZFLHVAR-AWEZNQCLSA-N 1 1 285.416 3.169 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000879239553 635731197 /nfs/dbraw/zinc/73/11/97/635731197.db2.gz CWCCSHDMFIAYTJ-MOPGFXCFSA-N 1 1 292.382 3.256 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H]2[C@H](O)c2ccccc2)c1 ZINC000879240876 635731234 /nfs/dbraw/zinc/73/12/34/635731234.db2.gz PSZOHIFAVPPNJV-RBUKOAKNSA-N 1 1 292.382 3.256 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@H](O)c2ccccc2)cc1 ZINC000879241221 635731743 /nfs/dbraw/zinc/73/17/43/635731743.db2.gz RXFJLZSLIMEXBI-RTBURBONSA-N 1 1 292.382 3.256 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000879314033 635753221 /nfs/dbraw/zinc/75/32/21/635753221.db2.gz PQZRQMGDBMXWMB-NVXWUHKLSA-N 1 1 286.419 3.150 20 30 CGEDMO C=CCCC[N@@H+]1CCOC[C@H]1c1ccc(OC)cc1 ZINC000879736666 635847734 /nfs/dbraw/zinc/84/77/34/635847734.db2.gz XCXAXNHISKRBRO-INIZCTEOSA-N 1 1 261.365 3.035 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@@H](c2cc(C(C)C)n[nH]2)C1 ZINC000879919600 635883346 /nfs/dbraw/zinc/88/33/46/635883346.db2.gz RXMHIJOQAMEACB-CQSZACIVSA-N 1 1 259.397 3.126 20 30 CGEDMO C#CCCC[N@H+]1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000879919600 635883348 /nfs/dbraw/zinc/88/33/48/635883348.db2.gz RXMHIJOQAMEACB-CQSZACIVSA-N 1 1 259.397 3.126 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000879919600 635883349 /nfs/dbraw/zinc/88/33/49/635883349.db2.gz RXMHIJOQAMEACB-CQSZACIVSA-N 1 1 259.397 3.126 20 30 CGEDMO Cc1nnsc1[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000930212791 635885300 /nfs/dbraw/zinc/88/53/00/635885300.db2.gz IDJQBGFYGBBMQD-UWVGGRQHSA-N 1 1 272.377 3.130 20 30 CGEDMO N#Cc1cc(F)ccc1C[NH+]1CCC2(CC2(F)F)CC1 ZINC000844410841 635892811 /nfs/dbraw/zinc/89/28/11/635892811.db2.gz ZSSNTCUUSOKGTR-UHFFFAOYSA-N 1 1 280.293 3.319 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)ccc1C#N ZINC000844441581 635904004 /nfs/dbraw/zinc/90/40/04/635904004.db2.gz OZWVPIUAZULMFO-OAHLLOKOSA-N 1 1 276.330 3.488 20 30 CGEDMO CCc1ccc(C[NH+]2CCN([C@@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000880249290 635956353 /nfs/dbraw/zinc/95/63/53/635956353.db2.gz VHNNHNLXQKHEFA-RBUKOAKNSA-N 1 1 297.446 3.059 20 30 CGEDMO CO[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000880310012 635971414 /nfs/dbraw/zinc/97/14/14/635971414.db2.gz VQUNMLJQFNNXBB-CQSZACIVSA-N 1 1 298.308 3.020 20 30 CGEDMO CO[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000880310012 635971416 /nfs/dbraw/zinc/97/14/16/635971416.db2.gz VQUNMLJQFNNXBB-CQSZACIVSA-N 1 1 298.308 3.020 20 30 CGEDMO C=CCCC[C@@H]([NH2+]Cc1cnn(CC)n1)c1ccccc1 ZINC000880390520 635991964 /nfs/dbraw/zinc/99/19/64/635991964.db2.gz SCNRAJUIYDMCAD-QGZVFWFLSA-N 1 1 284.407 3.485 20 30 CGEDMO C=CCCC[C@@H]([NH2+]CCc1c[nH]nn1)c1ccccc1 ZINC000880390668 635992055 /nfs/dbraw/zinc/99/20/55/635992055.db2.gz SXJVOOJOSBMGTB-MRXNPFEDSA-N 1 1 270.380 3.034 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000880574792 636024532 /nfs/dbraw/zinc/02/45/32/636024532.db2.gz NWENNOVVOWZEFF-AWEZNQCLSA-N 1 1 257.805 3.268 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)CC1(Br)CC1 ZINC000846905184 636277493 /nfs/dbraw/zinc/27/74/93/636277493.db2.gz XZCJMIBAFKUQRL-UHFFFAOYSA-N 1 1 278.193 3.049 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)CC1(Br)CC1 ZINC000846905184 636277511 /nfs/dbraw/zinc/27/75/11/636277511.db2.gz XZCJMIBAFKUQRL-UHFFFAOYSA-N 1 1 278.193 3.049 20 30 CGEDMO C=CCCC(=O)OCCC[N@H+](C)Cc1ccccc1 ZINC000129543835 636297205 /nfs/dbraw/zinc/29/72/05/636297205.db2.gz JIGMFWXERJNBLX-UHFFFAOYSA-N 1 1 261.365 3.018 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000846996283 636303935 /nfs/dbraw/zinc/30/39/35/636303935.db2.gz WDHWIRWSGAVROI-AWEZNQCLSA-N 1 1 284.359 3.192 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](C[C@H](OC)c2ccc(Cl)cc2)C1 ZINC000847020212 636312302 /nfs/dbraw/zinc/31/23/02/636312302.db2.gz XIMKQDFEMRRJHC-CJNGLKHVSA-N 1 1 277.795 3.373 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](C[C@H](O)c2cccc3ccccc32)C1 ZINC000847020200 636312744 /nfs/dbraw/zinc/31/27/44/636312744.db2.gz XHVFPWDDABFYSF-BEFAXECRSA-N 1 1 279.383 3.218 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000847022766 636313567 /nfs/dbraw/zinc/31/35/67/636313567.db2.gz XJGZFTFBZGXOLZ-CQSZACIVSA-N 1 1 250.345 3.080 20 30 CGEDMO C1CCC(ON=C2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000848408898 636569302 /nfs/dbraw/zinc/56/93/02/636569302.db2.gz FOTHHJGZJUNGFW-OAHLLOKOSA-N 1 1 250.386 3.340 20 30 CGEDMO Clc1ccnc(N=NC2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000848408696 636569769 /nfs/dbraw/zinc/56/97/69/636569769.db2.gz WLXUPOHZLZYMBI-ZDUSSCGKSA-N 1 1 278.787 3.151 20 30 CGEDMO C#CC[C@@H]([NH2+][C@@H]1CCCn2ccnc21)c1ccccc1 ZINC000848535603 636593639 /nfs/dbraw/zinc/59/36/39/636593639.db2.gz DYWHNMZFYWHDFR-HZPDHXFCSA-N 1 1 265.360 3.072 20 30 CGEDMO CCc1ccccc1-c1noc([C@@H]([NH3+])CCCCC#N)n1 ZINC000848622298 636621048 /nfs/dbraw/zinc/62/10/48/636621048.db2.gz UJPMUGQCNUQSLS-AWEZNQCLSA-N 1 1 284.363 3.383 20 30 CGEDMO Cc1ccc(-c2noc([C@H]([NH3+])CCCCC#N)n2)c(F)c1 ZINC000848624613 636622395 /nfs/dbraw/zinc/62/23/95/636622395.db2.gz BRJYAROQBKRZNF-CYBMUJFWSA-N 1 1 288.326 3.268 20 30 CGEDMO Cc1ccc(Cc2noc([C@@H]([NH3+])CCCCC#N)n2)s1 ZINC000848632389 636625504 /nfs/dbraw/zinc/62/55/04/636625504.db2.gz RGWQZFMCNPMMHS-LBPRGKRZSA-N 1 1 290.392 3.114 20 30 CGEDMO N#Cc1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1C1CC1 ZINC000883337533 636683663 /nfs/dbraw/zinc/68/36/63/636683663.db2.gz IBONQGDUKORUIV-IAGOWNOFSA-N 1 1 281.403 3.474 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(OC)cc2OC(F)F)C1 ZINC000848923914 636694946 /nfs/dbraw/zinc/69/49/46/636694946.db2.gz LIRAYEVPGZXVJI-GFCCVEGCSA-N 1 1 295.329 3.142 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(OC)cc2OC(F)F)C1 ZINC000848923914 636694952 /nfs/dbraw/zinc/69/49/52/636694952.db2.gz LIRAYEVPGZXVJI-GFCCVEGCSA-N 1 1 295.329 3.142 20 30 CGEDMO CC[C@H](C)c1ccc(NC(=O)CO[NH+]=C(N)C(C)C)cc1 ZINC000133627250 636963078 /nfs/dbraw/zinc/96/30/78/636963078.db2.gz IGDFKPIMDMOBQF-LBPRGKRZSA-N 1 1 291.395 3.083 20 30 CGEDMO CCC(CC)C[N@@H+](CC)C[C@H](O)CC1(C#N)CCC1 ZINC000885954417 637329626 /nfs/dbraw/zinc/32/96/26/637329626.db2.gz XHQOWFAHJZUPPR-OAHLLOKOSA-N 1 1 266.429 3.189 20 30 CGEDMO Cc1ccc([C@H](C)[N@@H+](C)C[C@H](O)CC2(C#N)CCC2)cc1 ZINC000885955929 637329841 /nfs/dbraw/zinc/32/98/41/637329841.db2.gz CUZIXYWLVCJXLP-DOTOQJQBSA-N 1 1 286.419 3.433 20 30 CGEDMO CC(C)C[N@@H+](C[C@@H](O)CC1(C#N)CCC1)C1CCCC1 ZINC000885970684 637337724 /nfs/dbraw/zinc/33/77/24/637337724.db2.gz HJESJNHRQMQSQW-INIZCTEOSA-N 1 1 278.440 3.332 20 30 CGEDMO CC[N@@H+](CCc1cccs1)C[C@H](O)CC1(C#N)CCC1 ZINC000885970582 637337941 /nfs/dbraw/zinc/33/79/41/637337941.db2.gz DLCKSRVQUCTSTP-CQSZACIVSA-N 1 1 292.448 3.057 20 30 CGEDMO C[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886001860 637352482 /nfs/dbraw/zinc/35/24/82/637352482.db2.gz LJYJMTYVIFFUKD-ZBFHGGJFSA-N 1 1 284.403 3.051 20 30 CGEDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886020978 637369185 /nfs/dbraw/zinc/36/91/85/637369185.db2.gz LNNAOUBFOXFIJF-QKPAOTATSA-N 1 1 276.424 3.084 20 30 CGEDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886036621 637378819 /nfs/dbraw/zinc/37/88/19/637378819.db2.gz APDNKTDJZIGZNF-BPQIPLTHSA-N 1 1 298.430 3.309 20 30 CGEDMO CC[C@@H]1Cc2ccccc2C[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886138669 637431703 /nfs/dbraw/zinc/43/17/03/637431703.db2.gz QTOHFSYKPMDOLV-QZTJIDSGSA-N 1 1 298.430 3.268 20 30 CGEDMO C=CC[N@@H+](C[C@@H]1CCCN(C(=O)C(C)(C)C)C1)C(C)C ZINC000851731658 637480975 /nfs/dbraw/zinc/48/09/75/637480975.db2.gz WXHZBCZQEQFHMJ-HNNXBMFYSA-N 1 1 280.456 3.168 20 30 CGEDMO C#CCOCC[N@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000851775625 637497659 /nfs/dbraw/zinc/49/76/59/637497659.db2.gz VBTUVFRTJAQJPO-HNNXBMFYSA-N 1 1 295.835 3.080 20 30 CGEDMO C#CCOCC[N@@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000851775625 637497662 /nfs/dbraw/zinc/49/76/62/637497662.db2.gz VBTUVFRTJAQJPO-HNNXBMFYSA-N 1 1 295.835 3.080 20 30 CGEDMO C#CC[C@H]1CC[N@H+]([C@@H](C)c2nc(Cc3ccccc3)no2)C1 ZINC000886357507 637510606 /nfs/dbraw/zinc/51/06/06/637510606.db2.gz IEILBNLOTVNQOI-HOCLYGCPSA-N 1 1 295.386 3.067 20 30 CGEDMO C#CC[C@H]1CC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000886357894 637512742 /nfs/dbraw/zinc/51/27/42/637512742.db2.gz MZPGGXZYTMADBN-STQMWFEESA-N 1 1 258.321 3.001 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2nsc3ccccc32)C1 ZINC000886365960 637515198 /nfs/dbraw/zinc/51/51/98/637515198.db2.gz UHKLVVLZTPXFQQ-GFCCVEGCSA-N 1 1 256.374 3.142 20 30 CGEDMO C#CC[N@@H+](Cc1cc(F)ccc1OC(F)F)C1CC1 ZINC000851938862 637554125 /nfs/dbraw/zinc/55/41/25/637554125.db2.gz ZWWDODBHVUVRAB-UHFFFAOYSA-N 1 1 269.266 3.025 20 30 CGEDMO C#CC[N@H+](Cc1cc(F)ccc1OC(F)F)C1CC1 ZINC000851938862 637554128 /nfs/dbraw/zinc/55/41/28/637554128.db2.gz ZWWDODBHVUVRAB-UHFFFAOYSA-N 1 1 269.266 3.025 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H]1CC[C@@H](OC)C1 ZINC000852041198 637576848 /nfs/dbraw/zinc/57/68/48/637576848.db2.gz RHJYPHPSEKREDR-IAGOWNOFSA-N 1 1 291.439 3.410 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886611160 637602733 /nfs/dbraw/zinc/60/27/33/637602733.db2.gz UVZGVAVNQODRBM-UWVGGRQHSA-N 1 1 253.695 3.403 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886611160 637602738 /nfs/dbraw/zinc/60/27/38/637602738.db2.gz UVZGVAVNQODRBM-UWVGGRQHSA-N 1 1 253.695 3.403 20 30 CGEDMO C[N@@H+](C[C@@H](O)c1cccc(C#N)c1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000852210426 637616882 /nfs/dbraw/zinc/61/68/82/637616882.db2.gz DWQZVWXRHVASRT-GUDVDZBRSA-N 1 1 292.382 3.080 20 30 CGEDMO Cc1cccc(C)c1[C@@H]1CCC[N@@H+]1CCO[C@@H](C)C#N ZINC000852312594 637632704 /nfs/dbraw/zinc/63/27/04/637632704.db2.gz OFPQXZXPZXJDFE-HOTGVXAUSA-N 1 1 272.392 3.369 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](CCCNC(=O)OC(C)(C)C)C1 ZINC000852408802 637647404 /nfs/dbraw/zinc/64/74/04/637647404.db2.gz AZHXUYRRVIDLIJ-AWEZNQCLSA-N 1 1 282.428 3.189 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886685781 637649917 /nfs/dbraw/zinc/64/99/17/637649917.db2.gz BUDRKHCXRWQGQF-KRWDZBQOSA-N 1 1 292.386 3.036 20 30 CGEDMO C=CC[N@@H+](C[C@@H](O)c1ccc(F)c(F)c1)C(C)(C)C ZINC000852553754 637676831 /nfs/dbraw/zinc/67/68/31/637676831.db2.gz VRPRIBZYHYFPPN-CQSZACIVSA-N 1 1 269.335 3.285 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)c1ccc(F)c(F)c1 ZINC000852686404 637695787 /nfs/dbraw/zinc/69/57/87/637695787.db2.gz TXZHYUURJHQPAI-ZENOOKHLSA-N 1 1 279.330 3.181 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1ccc(Cl)cc1C ZINC000852749431 637706528 /nfs/dbraw/zinc/70/65/28/637706528.db2.gz XWUJWEMYVMDLBO-UHFFFAOYSA-N 1 1 265.784 3.120 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1ccc(-c2ccc(F)cn2)n1 ZINC000853598168 637871519 /nfs/dbraw/zinc/87/15/19/637871519.db2.gz MYWZIOBFCCUNSQ-GASCZTMLSA-N 1 1 298.365 3.225 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1C[C@@H](CC(C)(C)C)CC1=O ZINC000853598205 637871561 /nfs/dbraw/zinc/87/15/61/637871561.db2.gz OKXLLHPIENJBAF-OAGGEKHMSA-N 1 1 290.451 3.412 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCOc2ccc(N)cc2C1 ZINC000925753691 638597942 /nfs/dbraw/zinc/59/79/42/638597942.db2.gz IUXZDSMLBCSCHO-ZDUSSCGKSA-N 1 1 293.370 3.096 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCOc2ccc(N)cc2C1 ZINC000925753691 638597948 /nfs/dbraw/zinc/59/79/48/638597948.db2.gz IUXZDSMLBCSCHO-ZDUSSCGKSA-N 1 1 293.370 3.096 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858048174 638622019 /nfs/dbraw/zinc/62/20/19/638622019.db2.gz QBXBPSJIFKIYMZ-MRXNPFEDSA-N 1 1 272.392 3.378 20 30 CGEDMO N#CCOc1ccc(C[NH2+][C@H]2CCCc3scnc32)cc1 ZINC000858376508 638696944 /nfs/dbraw/zinc/69/69/44/638696944.db2.gz MLDXKVJZGIGACX-AWEZNQCLSA-N 1 1 299.399 3.213 20 30 CGEDMO CCCC[N@H+](C)C[C@@H](C)N[C@H](C)CC(C)(C)C#N ZINC000926442261 638770586 /nfs/dbraw/zinc/77/05/86/638770586.db2.gz FQUJWCUQCWVQBH-ZIAGYGMSSA-N 1 1 253.434 3.025 20 30 CGEDMO CCCC[N@@H+](C)C[C@@H](C)N[C@H](C)CC(C)(C)C#N ZINC000926442261 638770588 /nfs/dbraw/zinc/77/05/88/638770588.db2.gz FQUJWCUQCWVQBH-ZIAGYGMSSA-N 1 1 253.434 3.025 20 30 CGEDMO C[N@@H+](CCCc1ccccc1)Cc1cncc(C#N)c1 ZINC000929261749 638913338 /nfs/dbraw/zinc/91/33/38/638913338.db2.gz BZBBIFMGLKIGQS-UHFFFAOYSA-N 1 1 265.360 3.018 20 30 CGEDMO CC[N@@H+](Cc1[nH]c(C)nc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000929333830 638919363 /nfs/dbraw/zinc/91/93/63/638919363.db2.gz RSZOQBJGKTWHNH-ZDUSSCGKSA-N 1 1 282.391 3.481 20 30 CGEDMO N#Cc1cncc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)c1 ZINC000929597728 638933277 /nfs/dbraw/zinc/93/32/77/638933277.db2.gz IYFASCAEODHGMI-OAHLLOKOSA-N 1 1 281.334 3.082 20 30 CGEDMO C[N@H+](Cc1cc(Cl)cc(C#N)c1)C[C@@H]1CCCOC1 ZINC000929609899 638934602 /nfs/dbraw/zinc/93/46/02/638934602.db2.gz XVFJTVQKNYNDSH-LBPRGKRZSA-N 1 1 278.783 3.070 20 30 CGEDMO CN1CCC[C@@H](C[N@H+](C)CCCCC2(C#N)CCC2)C1 ZINC000929699321 638942321 /nfs/dbraw/zinc/94/23/21/638942321.db2.gz LCVYFHMCMSTXKM-INIZCTEOSA-N 1 1 277.456 3.124 20 30 CGEDMO CN1CCC[C@@H](C[N@@H+](C)CCCCC2(C#N)CCC2)C1 ZINC000929699321 638942322 /nfs/dbraw/zinc/94/23/22/638942322.db2.gz LCVYFHMCMSTXKM-INIZCTEOSA-N 1 1 277.456 3.124 20 30 CGEDMO CC[C@@H]1C[N@@H+](CC2CCC(C#N)CC2)CCS1 ZINC000929752894 638946895 /nfs/dbraw/zinc/94/68/95/638946895.db2.gz HERSEZOKKXRRFN-JXQTWKCFSA-N 1 1 252.427 3.144 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+](CCC#N)CC1CC1 ZINC000929774523 638949046 /nfs/dbraw/zinc/94/90/46/638949046.db2.gz BCSHHIZKHGVMEY-UHFFFAOYSA-N 1 1 267.376 3.301 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](CCC#N)CC1CC1 ZINC000929774523 638949048 /nfs/dbraw/zinc/94/90/48/638949048.db2.gz BCSHHIZKHGVMEY-UHFFFAOYSA-N 1 1 267.376 3.301 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)CCSc1ccncc1 ZINC000929778353 638949733 /nfs/dbraw/zinc/94/97/33/638949733.db2.gz HQVYYBKUTZWANA-UHFFFAOYSA-N 1 1 277.437 3.435 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)CCSc1ccncc1 ZINC000929778353 638949736 /nfs/dbraw/zinc/94/97/36/638949736.db2.gz HQVYYBKUTZWANA-UHFFFAOYSA-N 1 1 277.437 3.435 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]3COCC[C@H]32)c1 ZINC000929825432 638954705 /nfs/dbraw/zinc/95/47/05/638954705.db2.gz LQMKEFSCLRNOGZ-GOEBONIOSA-N 1 1 290.794 3.213 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCC[C@H]3COCC[C@@H]32)CCC1 ZINC000929826454 638954790 /nfs/dbraw/zinc/95/47/90/638954790.db2.gz PMIXKAZYQNLJEB-HOTGVXAUSA-N 1 1 276.424 3.351 20 30 CGEDMO CCCCC[C@H]1CCC[N@H+]1Cc1cncc(C#N)c1 ZINC000929854113 638957528 /nfs/dbraw/zinc/95/75/28/638957528.db2.gz KSTVSHPAXPNDJE-INIZCTEOSA-N 1 1 257.381 3.498 20 30 CGEDMO C[C@@H](c1ccc(Cl)cc1)[N@@H+](C[C@H](O)CC#N)C1CC1 ZINC000929889896 638959725 /nfs/dbraw/zinc/95/97/25/638959725.db2.gz YMBLHMVNTINQHI-XHDPSFHLSA-N 1 1 278.783 3.140 20 30 CGEDMO CC[C@@](C)([NH2+]Cc1cncc(C#N)c1)c1nc(C)cs1 ZINC000930009080 638968362 /nfs/dbraw/zinc/96/83/62/638968362.db2.gz CLORQSREESKIJH-OAHLLOKOSA-N 1 1 286.404 3.133 20 30 CGEDMO C[N@@H+](CCCCC1(C#N)CCC1)CC1(O)CCCC1 ZINC000930082529 638973214 /nfs/dbraw/zinc/97/32/14/638973214.db2.gz ZGULQNMSBDNPME-UHFFFAOYSA-N 1 1 264.413 3.087 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCCSCC1 ZINC000930119157 638975665 /nfs/dbraw/zinc/97/56/65/638975665.db2.gz LXQHRCVUYYLFJX-UHFFFAOYSA-N 1 1 260.406 3.114 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCCC3(CCCC3)C2)c1 ZINC000930249023 638986095 /nfs/dbraw/zinc/98/60/95/638986095.db2.gz OKTPXZZVXDRECS-UHFFFAOYSA-N 1 1 255.365 3.109 20 30 CGEDMO C=C(C)C[N@@H+](Cc1nn(C)cc1C)Cc1ccccc1 ZINC000930272165 638987603 /nfs/dbraw/zinc/98/76/03/638987603.db2.gz BPBKAUTXXKCGML-UHFFFAOYSA-N 1 1 269.392 3.307 20 30 CGEDMO C=C(C)C[N@H+](Cc1nn(C)cc1C)Cc1ccccc1 ZINC000930272165 638987605 /nfs/dbraw/zinc/98/76/05/638987605.db2.gz BPBKAUTXXKCGML-UHFFFAOYSA-N 1 1 269.392 3.307 20 30 CGEDMO CC[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)CCCO1 ZINC000930317968 638990629 /nfs/dbraw/zinc/99/06/29/638990629.db2.gz WUSGORVYBKNIQY-OAHLLOKOSA-N 1 1 264.413 3.351 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H](N2CCCC2)[C@H]1C ZINC000930482533 639007727 /nfs/dbraw/zinc/00/77/27/639007727.db2.gz NHBQGPLXTBPDDC-VQIMIIECSA-N 1 1 297.446 3.234 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@@H](N2CCCC2)[C@H]1C ZINC000930482533 639007732 /nfs/dbraw/zinc/00/77/32/639007732.db2.gz NHBQGPLXTBPDDC-VQIMIIECSA-N 1 1 297.446 3.234 20 30 CGEDMO CC1(C)C[N@H+](Cc2cncc(C#N)c2)Cc2ccccc2O1 ZINC000930503243 639013787 /nfs/dbraw/zinc/01/37/87/639013787.db2.gz RZFSFNBUPBJZLX-UHFFFAOYSA-N 1 1 293.370 3.126 20 30 CGEDMO CC1(C)C[N@@H+](Cc2cncc(C#N)c2)Cc2ccccc2O1 ZINC000930503243 639013790 /nfs/dbraw/zinc/01/37/90/639013790.db2.gz RZFSFNBUPBJZLX-UHFFFAOYSA-N 1 1 293.370 3.126 20 30 CGEDMO CC[N@@H+](CCCCC1(C#N)CCC1)C[C@@H](C)OC ZINC000930539986 639022009 /nfs/dbraw/zinc/02/20/09/639022009.db2.gz QDXRDNDXZZUBLW-CQSZACIVSA-N 1 1 252.402 3.207 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C#N)c2)CCCO1 ZINC000930588217 639031862 /nfs/dbraw/zinc/03/18/62/639031862.db2.gz GNKHLDSBPLRNDU-INIZCTEOSA-N 1 1 292.810 3.459 20 30 CGEDMO CO[C@@H]1C[C@@H]([N@@H+](C)CC2CCC(C#N)CC2)C12CCC2 ZINC000930652823 639046469 /nfs/dbraw/zinc/04/64/69/639046469.db2.gz PJMIFGVRMIZXOV-QDIHITRGSA-N 1 1 276.424 3.206 20 30 CGEDMO Cc1noc(C)c1C[N@@H+](C)Cc1ccc(C)c(C#N)c1 ZINC000859072954 639070814 /nfs/dbraw/zinc/07/08/14/639070814.db2.gz MINRGHVLFTYAQL-UHFFFAOYSA-N 1 1 269.348 3.104 20 30 CGEDMO Cc1noc(C)c1C[N@H+](C)Cc1ccc(C)c(C#N)c1 ZINC000859072954 639070819 /nfs/dbraw/zinc/07/08/19/639070819.db2.gz MINRGHVLFTYAQL-UHFFFAOYSA-N 1 1 269.348 3.104 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCCC[C@@H]2C2CCC2)c1 ZINC000930827661 639073494 /nfs/dbraw/zinc/07/34/94/639073494.db2.gz WBKVSAONFHZRDE-MRXNPFEDSA-N 1 1 255.365 3.108 20 30 CGEDMO CC[C@H]1C[N@@H+](CCCCC2(C#N)CCC2)[C@H](C)CO1 ZINC000930851902 639076193 /nfs/dbraw/zinc/07/61/93/639076193.db2.gz KQYMJTYUFUVHBQ-CABCVRRESA-N 1 1 264.413 3.350 20 30 CGEDMO C[C@H]1C[N@@H+](CC2CCC(C#N)CC2)C[C@@](C)(C(F)F)O1 ZINC000931079378 639108472 /nfs/dbraw/zinc/10/84/72/639108472.db2.gz JPRVNVQWBBKZSK-CLTVBZQCSA-N 1 1 286.366 3.061 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1nc2cc(C)ccc2s1 ZINC000859280027 639124247 /nfs/dbraw/zinc/12/42/47/639124247.db2.gz HSTWIILRVOBYAY-UHFFFAOYSA-N 1 1 258.390 3.448 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1nc2cc(C)ccc2s1 ZINC000859280027 639124248 /nfs/dbraw/zinc/12/42/48/639124248.db2.gz HSTWIILRVOBYAY-UHFFFAOYSA-N 1 1 258.390 3.448 20 30 CGEDMO C=CCCc1ccccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC000931288535 639130549 /nfs/dbraw/zinc/13/05/49/639130549.db2.gz MYGZCCCUHBRTKI-ZFWWWQNUSA-N 1 1 287.407 3.019 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000859445416 639142990 /nfs/dbraw/zinc/14/29/90/639142990.db2.gz INMOLSSMZGKBLJ-DOMZBBRYSA-N 1 1 265.784 3.271 20 30 CGEDMO Cc1nccnc1[C@@H](C)[NH2+]Cc1cc(Cl)cc(C#N)c1 ZINC000931617922 639180900 /nfs/dbraw/zinc/18/09/00/639180900.db2.gz LLKVOAHWOUYDSU-LLVKDONJSA-N 1 1 286.766 3.161 20 30 CGEDMO C#CC[C@H]1CC[N@H+](C2CC(OCc3ccccc3)C2)C1 ZINC000931713908 639195457 /nfs/dbraw/zinc/19/54/57/639195457.db2.gz BOAZRLHUQQXKPH-ZLPCBKJTSA-N 1 1 269.388 3.079 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931916658 639229241 /nfs/dbraw/zinc/22/92/41/639229241.db2.gz UVKZRNZJDXAITM-SNVBAGLBSA-N 1 1 251.267 3.319 20 30 CGEDMO C#CCC[N@H+](CCOCC)[C@H]1CCc2ccccc21 ZINC000859830202 639233239 /nfs/dbraw/zinc/23/32/39/639233239.db2.gz OOWRXCPHPYICEP-KRWDZBQOSA-N 1 1 257.377 3.036 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000931957363 639243690 /nfs/dbraw/zinc/24/36/90/639243690.db2.gz XRSPKHQTWVLEMR-RBSFLKMASA-N 1 1 296.455 3.434 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1Cc2ccccc2OC2(CCOCC2)C1 ZINC000932037955 639253942 /nfs/dbraw/zinc/25/39/42/639253942.db2.gz SGAYKDRQKHFTCL-OAHLLOKOSA-N 1 1 287.403 3.395 20 30 CGEDMO C#CCC[N@H+]([C@@H](C)COC)[C@@H]1CCc2ccccc21 ZINC000860111656 639283704 /nfs/dbraw/zinc/28/37/04/639283704.db2.gz OVHIRXFZHVKBTB-WMLDXEAASA-N 1 1 257.377 3.034 20 30 CGEDMO C#CC[N@H+](Cc1cnc2c(cnn2C(C)C)c1)C(C)(C)C ZINC000932464665 639338057 /nfs/dbraw/zinc/33/80/57/639338057.db2.gz RVLHVVKIICLZKJ-UHFFFAOYSA-N 1 1 284.407 3.246 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](Cc2nc(C)no2)C1 ZINC000933571842 639462059 /nfs/dbraw/zinc/46/20/59/639462059.db2.gz FGCRWSKBVRGNIG-HNNXBMFYSA-N 1 1 277.412 3.379 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933718535 639483460 /nfs/dbraw/zinc/48/34/60/639483460.db2.gz ZAXYQBMNNGELFY-NSHDSACASA-N 1 1 285.313 3.251 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+](Cc1ccoc1)C1CC1 ZINC000934001762 639520452 /nfs/dbraw/zinc/52/04/52/639520452.db2.gz IWOHTXSMZYZQNU-UHFFFAOYSA-N 1 1 251.329 3.296 20 30 CGEDMO C(#Cc1ccccc1)C[N@@H+](Cc1ccoc1)C1CC1 ZINC000934001762 639520458 /nfs/dbraw/zinc/52/04/58/639520458.db2.gz IWOHTXSMZYZQNU-UHFFFAOYSA-N 1 1 251.329 3.296 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1ccc(SC)cc1 ZINC000934471807 639615934 /nfs/dbraw/zinc/61/59/34/639615934.db2.gz MSMMRFRMMAOFFB-OCCSQVGLSA-N 1 1 290.432 3.386 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1[C@H](C)C(=O)Nc1ccccc1OCC ZINC000934473036 639617535 /nfs/dbraw/zinc/61/75/35/639617535.db2.gz VWPJELNILMTWMT-ZIAGYGMSSA-N 1 1 288.391 3.063 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1ccccc1OCC ZINC000934473036 639617541 /nfs/dbraw/zinc/61/75/41/639617541.db2.gz VWPJELNILMTWMT-ZIAGYGMSSA-N 1 1 288.391 3.063 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1nc(-c2cc(C)ccn2)no1 ZINC000934647151 639649035 /nfs/dbraw/zinc/64/90/35/639649035.db2.gz KZNVIOOAACOIBO-UHFFFAOYSA-N 1 1 286.379 3.228 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000934778277 639674341 /nfs/dbraw/zinc/67/43/41/639674341.db2.gz NDUKDYMEEUUTRK-WQVCFCJDSA-N 1 1 272.417 3.304 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000934839261 639688224 /nfs/dbraw/zinc/68/82/24/639688224.db2.gz VZXZDRXBXITGSW-RBUKOAKNSA-N 1 1 283.415 3.177 20 30 CGEDMO Cc1nc(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)cs1 ZINC000041010553 639898608 /nfs/dbraw/zinc/89/86/08/639898608.db2.gz KRPMURRWEFBMNE-NSHDSACASA-N 1 1 287.388 3.205 20 30 CGEDMO CC[C@H]1C[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)CCS1 ZINC000245735911 640634993 /nfs/dbraw/zinc/63/49/93/640634993.db2.gz KSRJUPBUXZSMQE-CJNGLKHVSA-N 1 1 290.432 3.305 20 30 CGEDMO CCCOC(=O)[C@H](C)[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000246942272 640700406 /nfs/dbraw/zinc/70/04/06/640700406.db2.gz QUHJPUFEUFLLQA-KGLIPLIRSA-N 1 1 288.391 3.283 20 30 CGEDMO CCCOC(=O)[C@H](C)[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000246942272 640700411 /nfs/dbraw/zinc/70/04/11/640700411.db2.gz QUHJPUFEUFLLQA-KGLIPLIRSA-N 1 1 288.391 3.283 20 30 CGEDMO C=CCn1c(C)nn(C[N@@H+]2C[C@H](C)CCC[C@H]2C)c1=S ZINC000247020318 640707405 /nfs/dbraw/zinc/70/74/05/640707405.db2.gz PCWGJKLWTIPUMC-CHWSQXEVSA-N 1 1 294.468 3.377 20 30 CGEDMO C=CCn1c(C)nn(C[N@H+]2C[C@H](C)CCC[C@H]2C)c1=S ZINC000247020318 640707412 /nfs/dbraw/zinc/70/74/12/640707412.db2.gz PCWGJKLWTIPUMC-CHWSQXEVSA-N 1 1 294.468 3.377 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC000093443140 640771475 /nfs/dbraw/zinc/77/14/75/640771475.db2.gz FMRCJBJQDSEUOL-CWRNSKLLSA-N 1 1 270.376 3.209 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2C(C)C)C1 ZINC001007459119 640942032 /nfs/dbraw/zinc/94/20/32/640942032.db2.gz MDCRMQGZOJUCPB-INIZCTEOSA-N 1 1 298.430 3.028 20 30 CGEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccccc2C(C)C)C1 ZINC001007459119 640942039 /nfs/dbraw/zinc/94/20/39/640942039.db2.gz MDCRMQGZOJUCPB-INIZCTEOSA-N 1 1 298.430 3.028 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C2(C)CCCCCC2)C1 ZINC001007511250 640942431 /nfs/dbraw/zinc/94/24/31/640942431.db2.gz AASRSFGNZJRBGB-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2cscc2Cl)C1 ZINC001007560528 640944151 /nfs/dbraw/zinc/94/41/51/640944151.db2.gz JJIUVGGNFSFEQS-LLVKDONJSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)sc2C)C1 ZINC001007831546 640944916 /nfs/dbraw/zinc/94/49/16/640944916.db2.gz HULRZHYHBFPMAO-AWEZNQCLSA-N 1 1 292.448 3.135 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2cc(C)sc2C)C1 ZINC001007832185 640945262 /nfs/dbraw/zinc/94/52/62/640945262.db2.gz LQJTZPFGGVJLTC-CQSZACIVSA-N 1 1 292.448 3.135 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CC)C1 ZINC001008330009 640949213 /nfs/dbraw/zinc/94/92/13/640949213.db2.gz KHBFOZWRBJLJQF-MRXNPFEDSA-N 1 1 286.419 3.019 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C(F)F)cc2)C1 ZINC001008876535 640954693 /nfs/dbraw/zinc/95/46/93/640954693.db2.gz PDTIUFRNDXKJBQ-CQSZACIVSA-N 1 1 294.345 3.004 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccsc2Cl)C1 ZINC001008765005 640955077 /nfs/dbraw/zinc/95/50/77/640955077.db2.gz DSCYLGJDNLLOKV-NSHDSACASA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001009659099 640961533 /nfs/dbraw/zinc/96/15/33/640961533.db2.gz KMWZSZDJUSTBJX-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)c2coc3ccccc23)C1 ZINC001009724940 640963730 /nfs/dbraw/zinc/96/37/30/640963730.db2.gz HBCBNBFQQJPXPQ-AWEZNQCLSA-N 1 1 298.386 3.203 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001014497917 640972892 /nfs/dbraw/zinc/97/28/92/640972892.db2.gz XRDYQTHQOLRORI-ARFHVFGLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(CCC)s2)C1 ZINC001014587217 640973696 /nfs/dbraw/zinc/97/36/96/640973696.db2.gz OTHLKNLACGLUSP-CYBMUJFWSA-N 1 1 292.448 3.081 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C)cc2Cl)C1 ZINC001015742723 640985104 /nfs/dbraw/zinc/98/51/04/640985104.db2.gz YBFLCFRZMRRCDG-ZDUSSCGKSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2csc(Cl)c2)C1 ZINC001015793045 640986892 /nfs/dbraw/zinc/98/68/92/640986892.db2.gz KYYMDGYOAGNINS-GFCCVEGCSA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001016316285 640994320 /nfs/dbraw/zinc/99/43/20/640994320.db2.gz LQNYMJVRJHTLNP-AEFFLSMTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(C)(C)C ZINC001017797421 641015887 /nfs/dbraw/zinc/01/58/87/641015887.db2.gz LZFQVJBBOPEJGX-GASCZTMLSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC1(C)C ZINC001017813435 641017745 /nfs/dbraw/zinc/01/77/45/641017745.db2.gz FQTGZNLUBGEHTB-XHSDSOJGSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC1(C)C ZINC001017813435 641017750 /nfs/dbraw/zinc/01/77/50/641017750.db2.gz FQTGZNLUBGEHTB-XHSDSOJGSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(CC)CCCC1 ZINC001018128173 641019978 /nfs/dbraw/zinc/01/99/78/641019978.db2.gz OHIVASALOYJVKL-IYBDPMFKSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(CC)CCCC1 ZINC001018128173 641019980 /nfs/dbraw/zinc/01/99/80/641019980.db2.gz OHIVASALOYJVKL-IYBDPMFKSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)CC1CC(C)C1 ZINC001155489900 805586198 /nfs/dbraw/zinc/58/61/98/805586198.db2.gz NHHCXDOPACUMTI-HWOWSKLDSA-N 1 1 294.483 3.461 20 30 CGEDMO CCOc1nccc(C[NH+]2CCC(CC#N)CC2)c1Cl ZINC001250383419 805596006 /nfs/dbraw/zinc/59/60/06/805596006.db2.gz XLFNZIHZHATYHB-UHFFFAOYSA-N 1 1 293.798 3.259 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)CCCCCC(C)C ZINC001155644659 805598892 /nfs/dbraw/zinc/59/88/92/805598892.db2.gz IECCAOIHWQAEGP-QGZVFWFLSA-N 1 1 294.483 3.443 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc2c(c1)C=CCC2 ZINC001155776247 805611509 /nfs/dbraw/zinc/61/15/09/805611509.db2.gz DPAAEOSPYRUUCV-OAHLLOKOSA-N 1 1 298.430 3.272 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](F)CC1CCCCC1 ZINC001156409771 805686785 /nfs/dbraw/zinc/68/67/85/805686785.db2.gz XSDNALDJMOTVRK-ZBFHGGJFSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)C1CCC=CCC1 ZINC001156949816 805759837 /nfs/dbraw/zinc/75/98/37/805759837.db2.gz QJNVZUKYVYPYCB-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)C12CCC(CC1)CC2 ZINC001157030922 805767656 /nfs/dbraw/zinc/76/76/56/805767656.db2.gz QRNPSCTXJQZGIY-KLHKWILBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@H]1CCCCN1C(C)=O ZINC001157400727 805807409 /nfs/dbraw/zinc/80/74/09/805807409.db2.gz FFEMYACSBSLZGP-MRXNPFEDSA-N 1 1 266.429 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)CC ZINC001157573140 805837537 /nfs/dbraw/zinc/83/75/37/805837537.db2.gz INOLEEDCTYDEDG-TZMCWYRMSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)CC ZINC001157573140 805837542 /nfs/dbraw/zinc/83/75/42/805837542.db2.gz INOLEEDCTYDEDG-TZMCWYRMSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)/C(C)=C/CC ZINC001157630189 805844657 /nfs/dbraw/zinc/84/46/57/805844657.db2.gz IZIOWFGENVAWSA-HTRKUNOGSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@@H]1C[N@H+](C)C[C@H](F)CC ZINC001157705540 805855554 /nfs/dbraw/zinc/85/55/54/805855554.db2.gz CJCKSQBOZXHWIA-HUUCEWRRSA-N 1 1 284.419 3.014 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CCC1CC1 ZINC001157722913 805857734 /nfs/dbraw/zinc/85/77/34/805857734.db2.gz NBUSVUJQOIIHME-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+]([C@H](C)CCC)C2 ZINC001257316443 807103170 /nfs/dbraw/zinc/10/31/70/807103170.db2.gz DJKVIRXIOYLLGB-NVXWUHKLSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCCC1(C)C ZINC001158337103 805940349 /nfs/dbraw/zinc/94/03/49/805940349.db2.gz YXPUOHUEUVBHAM-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1CC ZINC001158512479 805962065 /nfs/dbraw/zinc/96/20/65/805962065.db2.gz NMGYIEBTZDJDJF-RBSFLKMASA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1CC ZINC001158512479 805962068 /nfs/dbraw/zinc/96/20/68/805962068.db2.gz NMGYIEBTZDJDJF-RBSFLKMASA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC12CCC2 ZINC001158530104 805963886 /nfs/dbraw/zinc/96/38/86/805963886.db2.gz WOYDIXLMVRITLL-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@H](CC)C(C)C ZINC001158764070 806000095 /nfs/dbraw/zinc/00/00/95/806000095.db2.gz NSFMVEONVVHPCI-DLBZAZTESA-N 1 1 292.467 3.005 20 30 CGEDMO CCCCCCCC[C@@H](O)C[NH2+]CC(C)(F)F ZINC001252120978 806007682 /nfs/dbraw/zinc/00/76/82/806007682.db2.gz ALLPISMQDPPHPT-GFCCVEGCSA-N 1 1 251.361 3.343 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@H]1C(=O)OCC ZINC001252130238 806014611 /nfs/dbraw/zinc/01/46/11/806014611.db2.gz NZCULWFKDDXEIY-CVEARBPZSA-N 1 1 299.455 3.125 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@H]1C(=O)OCC ZINC001252130238 806014619 /nfs/dbraw/zinc/01/46/19/806014619.db2.gz NZCULWFKDDXEIY-CVEARBPZSA-N 1 1 299.455 3.125 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC001252130697 806017169 /nfs/dbraw/zinc/01/71/69/806017169.db2.gz WTCBMKHFLLWUSF-ROUUACIJSA-N 1 1 296.499 3.126 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CC[C@]2(CCN(C)C2)C1 ZINC001252130697 806017179 /nfs/dbraw/zinc/01/71/79/806017179.db2.gz WTCBMKHFLLWUSF-ROUUACIJSA-N 1 1 296.499 3.126 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)C[C@@H](O)COCCCC ZINC001252512247 806052268 /nfs/dbraw/zinc/05/22/68/806052268.db2.gz PYWZJZMEGDSMSB-GOSISDBHSA-N 1 1 291.435 3.242 20 30 CGEDMO C=C[C@](C)(O)C[N@H+](C)Cc1c(Cl)cccc1Cl ZINC001252554781 806062465 /nfs/dbraw/zinc/06/24/65/806062465.db2.gz LRIGEAHIECGIAC-ZDUSSCGKSA-N 1 1 274.191 3.362 20 30 CGEDMO C=C[C@](C)(O)C[N@@H+](C)Cc1c(Cl)cccc1Cl ZINC001252554781 806062473 /nfs/dbraw/zinc/06/24/73/806062473.db2.gz LRIGEAHIECGIAC-ZDUSSCGKSA-N 1 1 274.191 3.362 20 30 CGEDMO C=C[C@@](C)(O)C[N@@H+]1CCC[C@H]1c1ccc(OCC)cc1 ZINC001252555398 806063190 /nfs/dbraw/zinc/06/31/90/806063190.db2.gz UDSRDPKDQYPWJE-DLBZAZTESA-N 1 1 275.392 3.159 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+]1CCC[C@]2(CCc3c2cccc3F)C1 ZINC001252560036 806065743 /nfs/dbraw/zinc/06/57/43/806065743.db2.gz FIVLHXSOWBYVBL-MSOLQXFVSA-N 1 1 289.394 3.043 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)C(C)(C)Cc1ccccc1 ZINC001252601807 806080897 /nfs/dbraw/zinc/08/08/97/806080897.db2.gz FOKPROCBHAQVDH-MRXNPFEDSA-N 1 1 261.409 3.267 20 30 CGEDMO C=CCCC(=O)NCCC1=CC[N@@H+](CCCCC)CC1 ZINC001159538593 806118053 /nfs/dbraw/zinc/11/80/53/806118053.db2.gz CJJRGEOBROPRCM-UHFFFAOYSA-N 1 1 278.440 3.281 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[N@H+]1C[C@H](O)C[C@H]1C ZINC001252979901 806145166 /nfs/dbraw/zinc/14/51/66/806145166.db2.gz OWQZSHBSMUJPJO-BRWVUGGUSA-N 1 1 285.472 3.333 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[N@H+]1C[C@@H](O)C[C@H]1C ZINC001252979902 806145310 /nfs/dbraw/zinc/14/53/10/806145310.db2.gz OWQZSHBSMUJPJO-IKGGRYGDSA-N 1 1 285.472 3.333 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[N@H+]1C[C@@H]2C[C@H]1CN2C ZINC001252982954 806146920 /nfs/dbraw/zinc/14/69/20/806146920.db2.gz OGMAANGPFRPVJV-OKZBNKHCSA-N 1 1 296.499 3.266 20 30 CGEDMO CCCCCCCCCC[C@@H](O)CN1C[C@@H]2C[C@H]1C[N@@H+]2C ZINC001252982954 806146924 /nfs/dbraw/zinc/14/69/24/806146924.db2.gz OGMAANGPFRPVJV-OKZBNKHCSA-N 1 1 296.499 3.266 20 30 CGEDMO CCCCCCCCCC[C@@H](O)CN1C[C@@H]2C[C@H]1C[N@H+]2C ZINC001252982954 806146929 /nfs/dbraw/zinc/14/69/29/806146929.db2.gz OGMAANGPFRPVJV-OKZBNKHCSA-N 1 1 296.499 3.266 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CC(C)(C)C[C@@]1(C)CO ZINC001253233976 806188526 /nfs/dbraw/zinc/18/85/26/806188526.db2.gz RHEDOSFZNQXAOO-WMZOPIPTSA-N 1 1 297.483 3.357 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CC(C)(C)C[C@]1(C)CO ZINC001253233974 806188678 /nfs/dbraw/zinc/18/86/78/806188678.db2.gz RHEDOSFZNQXAOO-FUHWJXTLSA-N 1 1 297.483 3.357 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CC[C@H]2O[C@@H](C)C[C@H]2C1 ZINC001253234993 806189180 /nfs/dbraw/zinc/18/91/80/806189180.db2.gz HKJXNTFPWMUEOI-XLAORIBOSA-N 1 1 295.467 3.373 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[NH+]1CCN(CCCC)CC1 ZINC001253239581 806190236 /nfs/dbraw/zinc/19/02/36/806190236.db2.gz OBTXGTIFZXJYDT-GOSISDBHSA-N 1 1 296.499 3.292 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CC[C@H](N(CC)CC)C1 ZINC001253240267 806190951 /nfs/dbraw/zinc/19/09/51/806190951.db2.gz IJSXYZAEMRHVCE-ROUUACIJSA-N 1 1 296.499 3.290 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@H](N(CC)CC)C1 ZINC001253240267 806190957 /nfs/dbraw/zinc/19/09/57/806190957.db2.gz IJSXYZAEMRHVCE-ROUUACIJSA-N 1 1 296.499 3.290 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)C2CC(C)(C)C2)CC1 ZINC001160014307 806213373 /nfs/dbraw/zinc/21/33/73/806213373.db2.gz PCVDKBFMGDFHOH-UHFFFAOYSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(Cl)C[N@H+]1CC=C(CCNC(=O)/C=C(/C)CC)CC1 ZINC001160030358 806216276 /nfs/dbraw/zinc/21/62/76/806216276.db2.gz QLZSAKWZBCZPBB-QBFSEMIESA-N 1 1 296.842 3.234 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)/C=C(/C)CC)CC1 ZINC001160030358 806216281 /nfs/dbraw/zinc/21/62/81/806216281.db2.gz QLZSAKWZBCZPBB-QBFSEMIESA-N 1 1 296.842 3.234 20 30 CGEDMO CCCCC[C@H](O)C[N@@H+](CCC#N)C1CCCC1 ZINC001253533740 806237603 /nfs/dbraw/zinc/23/76/03/806237603.db2.gz UKNUOLGONNFCET-HNNXBMFYSA-N 1 1 252.402 3.086 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)CC(C)(C)C=C)CC1 ZINC001160242329 806240366 /nfs/dbraw/zinc/24/03/66/806240366.db2.gz MYIAHJNTJOUARC-UHFFFAOYSA-N 1 1 290.451 3.303 20 30 CGEDMO C=C(C)CCC(=O)NCCC1=CC[N@@H+](CC2CCC2)CC1 ZINC001160264567 806246926 /nfs/dbraw/zinc/24/69/26/806246926.db2.gz RYUFDLHTZUICKO-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=C[C@H](O)C[N@H+](C)C(c1ccccc1)c1ccccc1 ZINC001253567214 806260868 /nfs/dbraw/zinc/26/08/68/806260868.db2.gz LONAXNMGEIUWPU-KRWDZBQOSA-N 1 1 267.372 3.255 20 30 CGEDMO C=CC(C)(C)C(=O)NCCC1=CC[N@@H+](C[C@@H](F)CC)CC1 ZINC001160888388 806317224 /nfs/dbraw/zinc/31/72/24/806317224.db2.gz UTSLVORGPHTSHF-HNNXBMFYSA-N 1 1 296.430 3.085 20 30 CGEDMO C=C[C@@H](C)[C@@H](C)C(=O)NCCC1=CC[N@@H+](CC(C)C)CC1 ZINC001160941820 806325485 /nfs/dbraw/zinc/32/54/85/806325485.db2.gz QQDFKCKCTINNGV-HZPDHXFCSA-N 1 1 292.467 3.239 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)CC(C)=C(C)C)CC1 ZINC001160937369 806325345 /nfs/dbraw/zinc/32/53/45/806325345.db2.gz BKHMMDQLVGXXFV-UHFFFAOYSA-N 1 1 290.451 3.447 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1cc(Cl)cc(Cl)n1 ZINC001160953140 806328169 /nfs/dbraw/zinc/32/81/69/806328169.db2.gz SQEOKMFAWRNMBB-NSHDSACASA-N 1 1 286.206 3.451 20 30 CGEDMO C[N@H+]1CCC[C@@H]1CCNc1cc(C#N)c2ccccc2n1 ZINC001160970321 806330344 /nfs/dbraw/zinc/33/03/44/806330344.db2.gz CRUFGRGUWCJQNF-CQSZACIVSA-N 1 1 280.375 3.003 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC2(C)C)CC1 ZINC001160972496 806331161 /nfs/dbraw/zinc/33/11/61/806331161.db2.gz ISMHDCKAZZBGLC-INIZCTEOSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCOc1ccccc1[C@@H](C)N[C@H]1CCC[N@@H+](C)CC1 ZINC001254507256 806428889 /nfs/dbraw/zinc/42/88/89/806428889.db2.gz AFBLEWHWINYXHG-CVEARBPZSA-N 1 1 288.435 3.386 20 30 CGEDMO C=CC[N@H+](C1CCCCC1)[C@H]1CCCN(C)CC1 ZINC001254531980 806444148 /nfs/dbraw/zinc/44/41/48/806444148.db2.gz OCRFPRCLLKTNIU-INIZCTEOSA-N 1 1 250.430 3.291 20 30 CGEDMO C=CC[N@@H+](C1CCCCC1)[C@H]1CCCN(C)CC1 ZINC001254531980 806444151 /nfs/dbraw/zinc/44/41/51/806444151.db2.gz OCRFPRCLLKTNIU-INIZCTEOSA-N 1 1 250.430 3.291 20 30 CGEDMO CN1CCC[C@H]([NH+]2CCC(C#Cc3ccccc3)CC2)CC1 ZINC001254532163 806445201 /nfs/dbraw/zinc/44/52/01/806445201.db2.gz QRCKJAJTSYUPDM-FQEVSTJZSA-N 1 1 296.458 3.234 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](C2CCN(c3ccc(F)cc3)CC2)C1 ZINC001254633633 806466063 /nfs/dbraw/zinc/46/60/63/806466063.db2.gz QCNWEDMHSBOTMO-QGZVFWFLSA-N 1 1 287.382 3.030 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)C(C)(CC)CC)CC1 ZINC001161909428 806481928 /nfs/dbraw/zinc/48/19/28/806481928.db2.gz ZQPMHZCQLZHAMQ-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)[C@@H]1CC[C@H](C#N)C1 ZINC001254676669 806485452 /nfs/dbraw/zinc/48/54/52/806485452.db2.gz MZMFEUOFJIZZMU-DOTOQJQBSA-N 1 1 271.408 3.267 20 30 CGEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC2(C#N)CCC2)nc1 ZINC001162310759 806552440 /nfs/dbraw/zinc/55/24/40/806552440.db2.gz QXZGOSQWCANGJR-AWEZNQCLSA-N 1 1 284.407 3.314 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1cccc(N2CCCCC2)c1 ZINC001255153420 806555114 /nfs/dbraw/zinc/55/51/14/806555114.db2.gz VYMZVBZGIWVQDY-MRXNPFEDSA-N 1 1 271.408 3.459 20 30 CGEDMO CC[C@@H](CC#N)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC001255153018 806555373 /nfs/dbraw/zinc/55/53/73/806555373.db2.gz NSPPSVPCUYQJCO-HNNXBMFYSA-N 1 1 289.398 3.072 20 30 CGEDMO CC[C@H](CC#N)[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC001255156627 806556484 /nfs/dbraw/zinc/55/64/84/806556484.db2.gz MFPMBGLNTGZFEW-YGRLFVJLSA-N 1 1 250.292 3.234 20 30 CGEDMO CC[C@@H](CC#N)[NH2+][C@H](CO)c1cccc2ccccc21 ZINC001255163216 806561471 /nfs/dbraw/zinc/56/14/71/806561471.db2.gz DJYVXIQNBNYXAD-WMLDXEAASA-N 1 1 268.360 3.155 20 30 CGEDMO CC[C@@H](CC#N)[NH+]1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC001255173593 806567679 /nfs/dbraw/zinc/56/76/79/806567679.db2.gz MJLNFCMQFCCQKI-ZDUSSCGKSA-N 1 1 295.427 3.058 20 30 CGEDMO CC[C@H](CC#N)[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC001255172517 806564401 /nfs/dbraw/zinc/56/44/01/806564401.db2.gz PGIIUZRRMOVHMY-ZBFHGGJFSA-N 1 1 258.365 3.222 20 30 CGEDMO CC[C@H](CC#N)[N@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC001255172517 806564421 /nfs/dbraw/zinc/56/44/21/806564421.db2.gz PGIIUZRRMOVHMY-ZBFHGGJFSA-N 1 1 258.365 3.222 20 30 CGEDMO CC[C@H](CC#N)N1C[C@@H]2C[N@H+](Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001255167621 806565641 /nfs/dbraw/zinc/56/56/41/806565641.db2.gz DMHXDUXHWNDOEX-CEXWTWQISA-N 1 1 297.446 3.051 20 30 CGEDMO CC[C@H](CC#N)[N@H+](C[C@@H](O)c1ccccc1OC)C(C)C ZINC001255173537 806567208 /nfs/dbraw/zinc/56/72/08/806567208.db2.gz BRIWSCQOTQFUFQ-GDBMZVCRSA-N 1 1 290.407 3.131 20 30 CGEDMO CC[C@H](CC#N)[N@@H+](C[C@@H](O)c1ccccc1OC)C(C)C ZINC001255173537 806567216 /nfs/dbraw/zinc/56/72/16/806567216.db2.gz BRIWSCQOTQFUFQ-GDBMZVCRSA-N 1 1 290.407 3.131 20 30 CGEDMO CC[C@@H](CC#N)N1CCC2(C[NH+](Cc3ccccc3)C2)CC1 ZINC001255176062 806570287 /nfs/dbraw/zinc/57/02/87/806570287.db2.gz VQNSJRNWRFVSIU-SFHVURJKSA-N 1 1 297.446 3.277 20 30 CGEDMO CC[C@H](CC#N)[N@H+]1CC[C@]2(c3ccccc3OC2=O)C1(C)C ZINC001255178166 806570874 /nfs/dbraw/zinc/57/08/74/806570874.db2.gz BOLVBWZWOLYFPQ-FZKQIMNGSA-N 1 1 298.386 3.020 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OCC ZINC001255211682 806578034 /nfs/dbraw/zinc/57/80/34/806578034.db2.gz USIFRJWOLNRWCF-FICVDOATSA-N 1 1 280.412 3.036 20 30 CGEDMO C#CC(C)(C)[NH2+][C@@H]1CCCN(Cc2ccccc2)CC1 ZINC001255383097 806630536 /nfs/dbraw/zinc/63/05/36/806630536.db2.gz ZSFZOGXGJJOXNM-QGZVFWFLSA-N 1 1 270.420 3.043 20 30 CGEDMO C#CC1CC[NH+]([C@@H]2CCCN(Cc3ccccc3)CC2)CC1 ZINC001255408078 806634432 /nfs/dbraw/zinc/63/44/32/806634432.db2.gz HSNKCQXHVAEDPJ-HXUWFJFHSA-N 1 1 296.458 3.386 20 30 CGEDMO CCCCCCCCOC(=O)C[NH2+]C1CCC(OC)CC1 ZINC001255450986 806642602 /nfs/dbraw/zinc/64/26/02/806642602.db2.gz DWNISMZPHDAGPK-UHFFFAOYSA-N 1 1 299.455 3.437 20 30 CGEDMO CS[C@H]1CC[C@H]([N@@H+](C)CCOc2cccc(C#N)c2)C1 ZINC000075922350 798924346 /nfs/dbraw/zinc/92/43/46/798924346.db2.gz RHPCMCQYLXRXHT-HOCLYGCPSA-N 1 1 290.432 3.153 20 30 CGEDMO C[C@@H]([NH2+]CC(C)(C)C#N)c1ccccc1OC(F)F ZINC000122283654 798990768 /nfs/dbraw/zinc/99/07/68/798990768.db2.gz KEPUZTHUCZKRQE-SNVBAGLBSA-N 1 1 268.307 3.488 20 30 CGEDMO N#Cc1c[nH]c2cc[nH+]c(N[C@@H]3CCc4c3cccc4O)c12 ZINC001163195517 806719190 /nfs/dbraw/zinc/71/91/90/806719190.db2.gz QSKXWWWGIHXGPQ-CYBMUJFWSA-N 1 1 290.326 3.240 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC001255731626 806724300 /nfs/dbraw/zinc/72/43/00/806724300.db2.gz FMKPRJBZJCDPIY-SFHVURJKSA-N 1 1 287.403 3.252 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC001255731625 806724858 /nfs/dbraw/zinc/72/48/58/806724858.db2.gz FMKPRJBZJCDPIY-GOSISDBHSA-N 1 1 287.403 3.252 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cccc(N)c1 ZINC000340583676 799285876 /nfs/dbraw/zinc/28/58/76/799285876.db2.gz NIFSUKPXHNLDTQ-UHFFFAOYSA-N 1 1 252.361 3.457 20 30 CGEDMO C=C(Br)C[NH2+]Cc1c(F)cccc1CC ZINC000379956147 799354214 /nfs/dbraw/zinc/35/42/14/799354214.db2.gz VMEVQUCRKIDCPQ-UHFFFAOYSA-N 1 1 272.161 3.386 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](Nc2cc(Cl)cc(C#N)n2)[C@H](C)C1 ZINC001163362288 806747982 /nfs/dbraw/zinc/74/79/82/806747982.db2.gz MFMGMXLYZJIUMD-RISCZKNCSA-N 1 1 292.814 3.137 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)cc1F ZINC000404037682 799573781 /nfs/dbraw/zinc/57/37/81/799573781.db2.gz ZBHQUMKGMWPMRH-LLVKDONJSA-N 1 1 272.245 3.082 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)cc1F ZINC000404037682 799573784 /nfs/dbraw/zinc/57/37/84/799573784.db2.gz ZBHQUMKGMWPMRH-LLVKDONJSA-N 1 1 272.245 3.082 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC(C)(C)C#N ZINC000405149138 799581404 /nfs/dbraw/zinc/58/14/04/799581404.db2.gz FRCCMQVGANSZLD-WBVHZDCISA-N 1 1 285.435 3.036 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC(C)(C)C#N ZINC000405149134 799581844 /nfs/dbraw/zinc/58/18/44/799581844.db2.gz FRCCMQVGANSZLD-RDJZCZTQSA-N 1 1 285.435 3.036 20 30 CGEDMO COc1ccc([C@H](C)[NH2+]CC2(C#N)CCCC2)cc1OC ZINC000405191708 799583052 /nfs/dbraw/zinc/58/30/52/799583052.db2.gz SDOCDULEFFTCEL-ZDUSSCGKSA-N 1 1 288.391 3.438 20 30 CGEDMO C=CCc1cc(C)c[nH+]c1N[C@@H]1CCc2[nH]c(=O)ccc2C1 ZINC001163554535 806784070 /nfs/dbraw/zinc/78/40/70/806784070.db2.gz LFLAYGPRCHQIPZ-OAHLLOKOSA-N 1 1 295.386 3.189 20 30 CGEDMO C[C@@]12CN(Cc3ccccc3)C[C@@]1(C)C[NH+](CCCC#N)C2 ZINC000705687976 799952559 /nfs/dbraw/zinc/95/25/59/799952559.db2.gz SKKHBHZOLUQQKQ-RTBURBONSA-N 1 1 297.446 3.134 20 30 CGEDMO N#Cc1ccc(OCCC[N@@H+]2CCC[C@@H](CF)C2)cc1 ZINC000711421201 800057161 /nfs/dbraw/zinc/05/71/61/800057161.db2.gz OPRVTKXUOYDEMH-HNNXBMFYSA-N 1 1 276.355 3.009 20 30 CGEDMO CC[C@H]([NH2+]C[C@H]1CCCN(CC)C1)c1ccc(C#N)cc1 ZINC001256026371 806806292 /nfs/dbraw/zinc/80/62/92/806806292.db2.gz SKGKJAVWLNNRFA-AEFFLSMTSA-N 1 1 285.435 3.331 20 30 CGEDMO N#Cc1c[nH]c2cc[nH+]c(N3CC[C@H](F)C(F)(F)CC3)c12 ZINC001163784326 806826218 /nfs/dbraw/zinc/82/62/18/806826218.db2.gz LCOXVKLDLGXUBP-NSHDSACASA-N 1 1 294.280 3.008 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)Cc2cccc(O)c2)cc1 ZINC000809539551 800442875 /nfs/dbraw/zinc/44/28/75/800442875.db2.gz VOECHSNDCVKRCR-UHFFFAOYSA-N 1 1 251.329 3.006 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)Cc2ccc(OC)cc2OC)cc1 ZINC000809541727 800443803 /nfs/dbraw/zinc/44/38/03/800443803.db2.gz OTFAUMWPQDZAIE-UHFFFAOYSA-N 1 1 295.382 3.317 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)c(OC)c1C)C(C)C ZINC000809548043 800445485 /nfs/dbraw/zinc/44/54/85/800445485.db2.gz ZJDCDYJNNLEZJM-UHFFFAOYSA-N 1 1 263.381 3.409 20 30 CGEDMO C=CC[C@@H]1CCN1C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000890557849 800559022 /nfs/dbraw/zinc/55/90/22/800559022.db2.gz HZDRJKYPVLNMDR-CABCVRRESA-N 1 1 292.810 3.120 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1CC/C=C/c1cncc(OC)c1 ZINC000934458961 800677842 /nfs/dbraw/zinc/67/78/42/800677842.db2.gz GPAGVAWEBLCESC-NFBGWVBBSA-N 1 1 258.365 3.144 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCC)C1 ZINC001021500360 800702968 /nfs/dbraw/zinc/70/29/68/800702968.db2.gz WLBJYTQLDVDSNF-HOTGVXAUSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(C)s2)C1 ZINC001023204440 800706735 /nfs/dbraw/zinc/70/67/35/800706735.db2.gz QLWJQUFCLIGBRJ-CQSZACIVSA-N 1 1 292.448 3.074 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001023602902 800713800 /nfs/dbraw/zinc/71/38/00/800713800.db2.gz MVNVGRFPXMEHCM-BRWVUGGUSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](CNC(=O)C2CCC=CCC2)C1 ZINC001023753768 800715195 /nfs/dbraw/zinc/71/51/95/800715195.db2.gz NZEDFGFQWDXJRT-INIZCTEOSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001024320749 800725231 /nfs/dbraw/zinc/72/52/31/800725231.db2.gz WQQNPGFTDGGKQB-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C)c(C)o1 ZINC001024388498 800725666 /nfs/dbraw/zinc/72/56/66/800725666.db2.gz JRWXOAKOSCAVQN-HNNXBMFYSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC2(CC2)C1 ZINC001024438570 800728019 /nfs/dbraw/zinc/72/80/19/800728019.db2.gz RIBSLBVGEASVBP-HOTGVXAUSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1sccc1F ZINC001024426684 800728353 /nfs/dbraw/zinc/72/83/53/800728353.db2.gz CRJDBAQPOPZJQO-LBPRGKRZSA-N 1 1 296.411 3.048 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1occc1CC ZINC001024631613 800732311 /nfs/dbraw/zinc/73/23/11/800732311.db2.gz NZNCOEIHRJNCIP-HNNXBMFYSA-N 1 1 290.407 3.002 20 30 CGEDMO C=C1CCC(C(=O)NC[C@H]2CCCC[N@H+]2CC2CC2)CC1 ZINC001024634003 800734078 /nfs/dbraw/zinc/73/40/78/800734078.db2.gz PTNWCKRBMYPFBT-QGZVFWFLSA-N 1 1 290.451 3.114 20 30 CGEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(C(C)C)c1 ZINC001024745073 800734842 /nfs/dbraw/zinc/73/48/42/800734842.db2.gz NEXISOJHRRPZHF-SFHVURJKSA-N 1 1 298.430 3.028 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(Cl)cc1 ZINC001024772312 800735912 /nfs/dbraw/zinc/73/59/12/800735912.db2.gz SZGGVWZNUCFRLU-HNNXBMFYSA-N 1 1 292.810 3.110 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CCC(C)(C)CC1 ZINC001024820166 800736631 /nfs/dbraw/zinc/73/66/31/800736631.db2.gz WEGVZVSWJCXTIO-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC(C)(C)C1 ZINC001024818938 800736644 /nfs/dbraw/zinc/73/66/44/800736644.db2.gz IHWCGASVOGFPHI-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCCC1(C)C ZINC001024817749 800736934 /nfs/dbraw/zinc/73/69/34/800736934.db2.gz GMPLRXMPWUBOGS-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc2ccccc2o1 ZINC001024787850 800737556 /nfs/dbraw/zinc/73/75/56/800737556.db2.gz CGMVPPCIIXFDAL-OAHLLOKOSA-N 1 1 298.386 3.203 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)C ZINC001025203929 800748028 /nfs/dbraw/zinc/74/80/28/800748028.db2.gz KRVZKZAIISCRSK-DLBZAZTESA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1(C)CC1 ZINC001025234477 800751404 /nfs/dbraw/zinc/75/14/04/800751404.db2.gz IEZXZWLUTDRCJS-HZPDHXFCSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)C ZINC001025294018 800753579 /nfs/dbraw/zinc/75/35/79/800753579.db2.gz WFCQMTVZRDMHEU-CVEARBPZSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2)C1 ZINC001025313491 800755099 /nfs/dbraw/zinc/75/50/99/800755099.db2.gz SIDDKUMSYKCROI-WBVHZDCISA-N 1 1 286.419 3.093 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc(C)s2)C1 ZINC001025327341 800756817 /nfs/dbraw/zinc/75/68/17/800756817.db2.gz WNWALZSEJLQLCX-KGLIPLIRSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2csc(C)c2)C1 ZINC001025562914 800764338 /nfs/dbraw/zinc/76/43/38/800764338.db2.gz WEAQJIUODHFTNW-UONOGXRCSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@H]([N@@H+](C)CCC2CC2)C1 ZINC001027560037 800803059 /nfs/dbraw/zinc/80/30/59/800803059.db2.gz OHGKIYGZBIJKEB-FUHWJXTLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]([N@@H+](C)CC(=C)C)C1 ZINC001027559963 800804324 /nfs/dbraw/zinc/80/43/24/800804324.db2.gz LKSGFXWVMPBGEG-WBVHZDCISA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C(C)(CC)CC)C1 ZINC001027687562 800811565 /nfs/dbraw/zinc/81/15/65/800811565.db2.gz PYIGOBZODURABJ-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1sc(C)cc1C ZINC001027908981 800825398 /nfs/dbraw/zinc/82/53/98/800825398.db2.gz GJGPKTAWOPZFHI-CQSZACIVSA-N 1 1 292.448 3.135 20 30 CGEDMO C=C1CCC(C(=O)NC[C@H]2CCC[N@@H+]2C[C@@H](F)CC)CC1 ZINC001028116993 800831764 /nfs/dbraw/zinc/83/17/64/800831764.db2.gz LYRUNLCDALSHAM-JKSUJKDBSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cccc2ccccc21 ZINC001028298282 800839579 /nfs/dbraw/zinc/83/95/79/800839579.db2.gz RHITYNKJGQVVMU-INIZCTEOSA-N 1 1 294.398 3.220 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1C1CCC1 ZINC001028290502 800841147 /nfs/dbraw/zinc/84/11/47/800841147.db2.gz UAZCJIIYEWJPMC-INIZCTEOSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001028562655 800851061 /nfs/dbraw/zinc/85/10/61/800851061.db2.gz RJABIKXUGFYENE-IRXDYDNUSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001029011166 800858085 /nfs/dbraw/zinc/85/80/85/800858085.db2.gz FFVPWBUJODBINY-JKSUJKDBSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001029009226 800858180 /nfs/dbraw/zinc/85/81/80/800858180.db2.gz QEHWXUFSHNPHJK-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)c2ccc(C3CC3)s2)C1 ZINC001031255002 800907376 /nfs/dbraw/zinc/90/73/76/800907376.db2.gz GAQILAVISAPEND-UHFFFAOYSA-N 1 1 290.432 3.006 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C2CCC2)cc1 ZINC001032434486 800928495 /nfs/dbraw/zinc/92/84/95/800928495.db2.gz JRJJFUMZCIZSJN-ROUUACIJSA-N 1 1 296.414 3.039 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C2CCC2)cc1 ZINC001032434486 800928499 /nfs/dbraw/zinc/92/84/99/800928499.db2.gz JRJJFUMZCIZSJN-ROUUACIJSA-N 1 1 296.414 3.039 20 30 CGEDMO C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@H](C)CC)CC1 ZINC001032605702 800932359 /nfs/dbraw/zinc/93/23/59/800932359.db2.gz GPEPQQVJORFNHA-COXVUDFISA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)CC2CCCCC2)C1 ZINC001032888229 800943867 /nfs/dbraw/zinc/94/38/67/800943867.db2.gz KNFHAQNTXBWNGO-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)CC2=CCCCC2)C1 ZINC001032963002 800945979 /nfs/dbraw/zinc/94/59/79/800945979.db2.gz JDSSOQUFPUYJOM-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](CC(=C)C)C2)cc1 ZINC001033443570 800963781 /nfs/dbraw/zinc/96/37/81/800963781.db2.gz PXTZVTDLBMTRJE-KRWDZBQOSA-N 1 1 284.403 3.052 20 30 CGEDMO C=C1CC(C)(C(=O)N(C)[C@@H]2CC[N@H+](CC(CC)CC)C2)C1 ZINC001033397872 800964291 /nfs/dbraw/zinc/96/42/91/800964291.db2.gz DYOMHCIRJONJRQ-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC23CCCC3)C1 ZINC001033561350 800968284 /nfs/dbraw/zinc/96/82/84/800968284.db2.gz KNGMWTQVVPTQCH-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(Cl)c2)C1 ZINC001033606309 800969923 /nfs/dbraw/zinc/96/99/23/800969923.db2.gz LFFQTJURWHMKEI-OAHLLOKOSA-N 1 1 292.810 3.062 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C)ccc2C)C1 ZINC001033616984 800972268 /nfs/dbraw/zinc/97/22/68/800972268.db2.gz LLPVTIJVQSXHCM-MRXNPFEDSA-N 1 1 286.419 3.026 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001033697998 800975844 /nfs/dbraw/zinc/97/58/44/800975844.db2.gz LTAUMNKYYWGNBU-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2coc3ccccc23)C1 ZINC001033712256 800976732 /nfs/dbraw/zinc/97/67/32/800976732.db2.gz YZRMSHQABKRJJM-CQSZACIVSA-N 1 1 298.386 3.155 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)C2CCCCCC2)C1 ZINC001033767529 800981710 /nfs/dbraw/zinc/98/17/10/800981710.db2.gz BCIFMSCHAZWQQX-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)C2CCCCCC2)C1 ZINC001033768480 800981779 /nfs/dbraw/zinc/98/17/79/800981779.db2.gz GORFXOLTMWXIKN-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc3occc3c2)C1 ZINC001033843453 800985994 /nfs/dbraw/zinc/98/59/94/800985994.db2.gz KNOJSFLOAAKEAJ-INIZCTEOSA-N 1 1 298.386 3.155 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001033834256 800986092 /nfs/dbraw/zinc/98/60/92/800986092.db2.gz VNBCKRCFJCEOJB-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001033895361 800987532 /nfs/dbraw/zinc/98/75/32/800987532.db2.gz QOSLIIWUPHXIPY-ARFHVFGLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccccc2Cl)C1 ZINC001034026315 800995204 /nfs/dbraw/zinc/99/52/04/800995204.db2.gz VDSFCZRSZBQRBB-ZDUSSCGKSA-N 1 1 292.810 3.062 20 30 CGEDMO CC(C)CC[C@H](C)[NH+]1CC(Oc2ccccc2C#N)C1 ZINC001256375786 806876973 /nfs/dbraw/zinc/87/69/73/806876973.db2.gz ZSSFZMRTYQYDRD-AWEZNQCLSA-N 1 1 272.392 3.446 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001034106409 801006024 /nfs/dbraw/zinc/00/60/24/801006024.db2.gz ZRVQVKJLEYGHSG-LBPRGKRZSA-N 1 1 296.798 3.093 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2cc(C)cs2)C1 ZINC001034199079 801011733 /nfs/dbraw/zinc/01/17/33/801011733.db2.gz OUHUDWSHQABNAB-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)c2cc(C)co2)C1 ZINC001034353037 801020261 /nfs/dbraw/zinc/02/02/61/801020261.db2.gz UMANWWYNSJJFHW-OAHLLOKOSA-N 1 1 290.407 3.139 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001034356406 801022048 /nfs/dbraw/zinc/02/20/48/801022048.db2.gz XGXATGPDXHAIMZ-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001034388847 801022995 /nfs/dbraw/zinc/02/29/95/801022995.db2.gz ITEUBCBYPNPYTG-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@@H](NC(=O)C2CCC(=C)CC2)C1 ZINC001034383458 801023278 /nfs/dbraw/zinc/02/32/78/801023278.db2.gz XZKGYHYYEKRYQT-QGZVFWFLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001034481670 801027772 /nfs/dbraw/zinc/02/77/72/801027772.db2.gz WEBJSLNJICYCDG-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001034481673 801028506 /nfs/dbraw/zinc/02/85/06/801028506.db2.gz WEBJSLNJICYCDG-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)C(CC)CC)CC[C@@H]21 ZINC001036652760 801086115 /nfs/dbraw/zinc/08/61/15/801086115.db2.gz XUEIATOUIZIENB-GJZGRUSLSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C(CC)CC)CC[C@@H]21 ZINC001036651962 801086452 /nfs/dbraw/zinc/08/64/52/801086452.db2.gz LSLQVNZWHADLQU-SJORKVTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C(C)(C)C)CC[C@@H]21 ZINC001036790607 801089488 /nfs/dbraw/zinc/08/94/88/801089488.db2.gz LPCBDDWIJFGDLU-CABCVRRESA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)CC)CC[C@@H]21 ZINC001036804088 801091507 /nfs/dbraw/zinc/09/15/07/801091507.db2.gz DMZCPBXGGTZNOD-KGLIPLIRSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3CCCC)C2)C1 ZINC001036816306 801092321 /nfs/dbraw/zinc/09/23/21/801092321.db2.gz SLEZIMMBBAANSU-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)c1cscc1Cl ZINC001038379865 801125206 /nfs/dbraw/zinc/12/52/06/801125206.db2.gz MFNGQRODSXRNFX-NSHDSACASA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1cccc(C)c1Cl ZINC001038828260 801134915 /nfs/dbraw/zinc/13/49/15/801134915.db2.gz YQVVIQOYFGWVOD-ZDUSSCGKSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1cccc(C)c1Cl ZINC001038828260 801134918 /nfs/dbraw/zinc/13/49/18/801134918.db2.gz YQVVIQOYFGWVOD-ZDUSSCGKSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1sccc1C1CC1 ZINC001038986058 801140726 /nfs/dbraw/zinc/14/07/26/801140726.db2.gz QANMHXRLGWQXPT-ZDUSSCGKSA-N 1 1 290.432 3.006 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1sccc1C1CC1 ZINC001038986058 801140729 /nfs/dbraw/zinc/14/07/29/801140729.db2.gz QANMHXRLGWQXPT-ZDUSSCGKSA-N 1 1 290.432 3.006 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C(F)=C(C)C)C1 ZINC001039198683 801152969 /nfs/dbraw/zinc/15/29/69/801152969.db2.gz ZCWULNGXRNOFGF-LSDHHAIUSA-N 1 1 294.414 3.139 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C=C(C)C)C1 ZINC001039207201 801154335 /nfs/dbraw/zinc/15/43/35/801154335.db2.gz XPDDPBIWJYQVPZ-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCCF ZINC001039897290 801168454 /nfs/dbraw/zinc/16/84/54/801168454.db2.gz WTUDYJKOARLUGD-UXLLHSPISA-N 1 1 296.430 3.014 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC ZINC001039896807 801168465 /nfs/dbraw/zinc/16/84/65/801168465.db2.gz QDUJSHBFQWDEOG-HLLBOEOZSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@](C)(C=C)CC)C2)C1 ZINC001040372393 801176875 /nfs/dbraw/zinc/17/68/75/801176875.db2.gz PLSOYJQIYUJOGO-ROUUACIJSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)CC3CCCC3)C2)C1 ZINC001041033041 801185210 /nfs/dbraw/zinc/18/52/10/801185210.db2.gz LJCVCVCBWGJYIP-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C)C(C)(C)C)C2)C1 ZINC001041407401 801190061 /nfs/dbraw/zinc/19/00/61/801190061.db2.gz HDWLRRZTRZFCAQ-YJBOKZPZSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[C@]2(CC[N@@H+](CC(=C)C)C2)C1 ZINC001041632202 801190488 /nfs/dbraw/zinc/19/04/88/801190488.db2.gz FVDBDIGDLJIXNP-MSOLQXFVSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)C3(CC)CCC3)C2)C1 ZINC001041570146 801191670 /nfs/dbraw/zinc/19/16/70/801191670.db2.gz NVDSUPCRUZGNNF-KRWDZBQOSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)C(CC)(CC)CC)C2)C1 ZINC001041761898 801192621 /nfs/dbraw/zinc/19/26/21/801192621.db2.gz UEDPZSUFYGPXOW-KRWDZBQOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](CC=C(C)C)[C@@H]2C1 ZINC001042184818 801201630 /nfs/dbraw/zinc/20/16/30/801201630.db2.gz ZPZSJDODXQRVBA-HZPDHXFCSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)C(=C)C)C[C@H]21 ZINC001042182720 801201908 /nfs/dbraw/zinc/20/19/08/801201908.db2.gz GQXWLMHBABIRLH-JKSUJKDBSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](CCC(=C)C)[C@@H]2C1 ZINC001042181039 801202297 /nfs/dbraw/zinc/20/22/97/801202297.db2.gz CFQOCLXTGBIYGJ-JKSUJKDBSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCC[NH+]1CC(N(C)C(=O)[C@@]2(C)CCC(C)=C(C)C2)C1 ZINC001044352870 801239552 /nfs/dbraw/zinc/23/95/52/801239552.db2.gz VVIQAVLPXDASEL-SFHVURJKSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@H](C)C2)CC1 ZINC001045577837 801280765 /nfs/dbraw/zinc/28/07/65/801280765.db2.gz VRNMGIMTABXWCX-GXTWGEPZSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@H]2CC[C@H](C)C2)CC1 ZINC001045577838 801280935 /nfs/dbraw/zinc/28/09/35/801280935.db2.gz VRNMGIMTABXWCX-JSGCOSHPSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC ZINC001045840683 801288625 /nfs/dbraw/zinc/28/86/25/801288625.db2.gz KOJACAXBWKQQSC-RYRKJORJSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC1CC1)C2 ZINC001045906674 801291707 /nfs/dbraw/zinc/29/17/07/801291707.db2.gz GCNIOKXQQXLJCR-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)F)C2 ZINC001045906943 801291872 /nfs/dbraw/zinc/29/18/72/801291872.db2.gz MHVMZBMWYNFKLA-QGZVFWFLSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)/C(C)=C/C)C2 ZINC001045930653 801295390 /nfs/dbraw/zinc/29/53/90/801295390.db2.gz PHRHIQSWAHFYQY-VIHDGPTJSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)c2cscc2Cl)C1 ZINC001046403932 801309719 /nfs/dbraw/zinc/30/97/19/801309719.db2.gz STYVAWWVXSJOOJ-AWEZNQCLSA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001046550274 801314688 /nfs/dbraw/zinc/31/46/88/801314688.db2.gz FRIZELZJVHSHKR-QAPCUYQASA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001046604007 801315965 /nfs/dbraw/zinc/31/59/65/801315965.db2.gz FWWBGRDLDGNAES-YJBOKZPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(C)cc2Cl)C1 ZINC001046645058 801318663 /nfs/dbraw/zinc/31/86/63/801318663.db2.gz UFQAZBKINFRAPU-MRXNPFEDSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001046638610 801318911 /nfs/dbraw/zinc/31/89/11/801318911.db2.gz YJHBOUYDIVDXNE-NUJGCVRESA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001046694655 801321748 /nfs/dbraw/zinc/32/17/48/801321748.db2.gz IXNNKZGPGABXPB-IBGZPJMESA-N 1 1 296.414 3.026 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)c2cccc(Cl)c2)C1 ZINC001046791864 801325449 /nfs/dbraw/zinc/32/54/49/801325449.db2.gz OGUUVCCXXIQLEY-INIZCTEOSA-N 1 1 292.810 3.110 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C)c(C)c2)C1 ZINC001046816121 801326621 /nfs/dbraw/zinc/32/66/21/801326621.db2.gz DWGCAXQCGCLQQW-SFHVURJKSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)c2coc3ccccc23)C1 ZINC001046876951 801332003 /nfs/dbraw/zinc/33/20/03/801332003.db2.gz MAPPDXSOUGQWMX-SFHVURJKSA-N 1 1 298.386 3.203 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCCC)C3)C1 ZINC001047142890 801333408 /nfs/dbraw/zinc/33/34/08/801333408.db2.gz JKPMVIBSZPKVDV-XHSDSOJGSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(CC)CC ZINC001049343606 801366242 /nfs/dbraw/zinc/36/62/42/801366242.db2.gz LGSMGWIPLWCHGB-SJORKVTESA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC(C)C1 ZINC001049405624 801370335 /nfs/dbraw/zinc/37/03/35/801370335.db2.gz JYJKDQUZLVGGPA-BHUNQDJPSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)=C1CCCC1 ZINC001049412843 801371254 /nfs/dbraw/zinc/37/12/54/801371254.db2.gz QDBBBQXRYCNEEJ-DLBZAZTESA-N 1 1 288.435 3.128 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(F)=C(C)C ZINC001049421725 801374094 /nfs/dbraw/zinc/37/40/94/801374094.db2.gz ZGHBWCDBEYAJII-LSDHHAIUSA-N 1 1 294.414 3.281 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)C(C)C ZINC001049500750 801376610 /nfs/dbraw/zinc/37/66/10/801376610.db2.gz GAZUCRFXVAWZSG-HOTGVXAUSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(CC)CCC1 ZINC001049662955 801382542 /nfs/dbraw/zinc/38/25/42/801382542.db2.gz KGSFTBWHKAIPOK-JKSUJKDBSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)CC ZINC001049681677 801384265 /nfs/dbraw/zinc/38/42/65/801384265.db2.gz QFXPKAQLHMXPPP-LSDHHAIUSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1CC ZINC001049739191 801387341 /nfs/dbraw/zinc/38/73/41/801387341.db2.gz XVKWYTKBOFPCDV-NCOADZHNSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(CC)CC ZINC001049911246 801392349 /nfs/dbraw/zinc/39/23/49/801392349.db2.gz YGTBZSNKCSFJKD-HZPDHXFCSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2occc2C)CC1 ZINC001052209284 801426188 /nfs/dbraw/zinc/42/61/88/801426188.db2.gz SHZCKIUKISOBQI-OAHLLOKOSA-N 1 1 290.407 3.139 20 30 CGEDMO C[C@@H]1C[C@H](NC2=CC(=O)CCC2)CC[N@H+]1Cc1ccccc1 ZINC001256524001 806909585 /nfs/dbraw/zinc/90/95/85/806909585.db2.gz RUUUQVNLTPLLDU-CRAIPNDOSA-N 1 1 298.430 3.266 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(C)CC=CCC2)CC1 ZINC001052412403 801435284 /nfs/dbraw/zinc/43/52/84/801435284.db2.gz VHPWCELZZINQKT-AEFFLSMTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)C[C@@H]2C=CCCC2)CC1 ZINC001052486149 801436457 /nfs/dbraw/zinc/43/64/57/801436457.db2.gz JDRYSASAQAAHAC-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CCC[N@H+](CC(C)C)CC2)CC1 ZINC001052678660 801443980 /nfs/dbraw/zinc/44/39/80/801443980.db2.gz YZQXIJRAMDJRNC-KRWDZBQOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)CC2CC(C)(C)C2)CC1 ZINC001052653091 801444390 /nfs/dbraw/zinc/44/43/90/801444390.db2.gz GGESCDWYEGGZGF-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C2(C)CC=CC2)CC1 ZINC001052682749 801447545 /nfs/dbraw/zinc/44/75/45/801447545.db2.gz YTSXUCVVBLQHLM-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)CC1 ZINC001052726652 801448568 /nfs/dbraw/zinc/44/85/68/801448568.db2.gz SGMYDTKOIQLVEN-IXDOHACOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)c2cccs2)CC1 ZINC001052705846 801448621 /nfs/dbraw/zinc/44/86/21/801448621.db2.gz KVRMCIHTMPJPHL-KGLIPLIRSA-N 1 1 292.448 3.008 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccsc2Cl)CC1 ZINC001052765378 801451397 /nfs/dbraw/zinc/45/13/97/801451397.db2.gz YFFINBTYHWQYCP-LLVKDONJSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@]2(C)CC=C(C)CC2)CC1 ZINC001052951619 801457274 /nfs/dbraw/zinc/45/72/74/801457274.db2.gz KWVIPLDNJODTRZ-SJLPKXTDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(C3CC3)c2)CC1 ZINC001052963034 801458022 /nfs/dbraw/zinc/45/80/22/801458022.db2.gz RIUKLQLPHBYPCZ-GOSISDBHSA-N 1 1 298.430 3.334 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCC)C2)C1 ZINC001052998586 801460156 /nfs/dbraw/zinc/46/01/56/801460156.db2.gz ACINPEFGDMRPBB-SJORKVTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC)C1 ZINC001053059412 801464683 /nfs/dbraw/zinc/46/46/83/801464683.db2.gz TTZAICRLKXSSJA-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C(C)C)C1 ZINC001053073624 801467774 /nfs/dbraw/zinc/46/77/74/801467774.db2.gz XMQGIPXOPVOCHW-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC1CC1)C2 ZINC001054104119 801474078 /nfs/dbraw/zinc/47/40/78/801474078.db2.gz TUXNEKQOUNTSJD-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(F)=C(C)C)C2 ZINC001054113976 801476045 /nfs/dbraw/zinc/47/60/45/801476045.db2.gz RTPHYBHOUIDMNP-QGZVFWFLSA-N 1 1 294.414 3.140 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](F)CC)C2 ZINC001054176030 801476560 /nfs/dbraw/zinc/47/65/60/801476560.db2.gz ALYNHTBTBPMDLV-DOTOQJQBSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@](C)(C=C)CC)C2 ZINC001054192034 801478026 /nfs/dbraw/zinc/47/80/26/801478026.db2.gz PXNKKDJGZRNCTN-MSOLQXFVSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CC3(C)C)cc2C1 ZINC001054261375 801484663 /nfs/dbraw/zinc/48/46/63/801484663.db2.gz AEWJTXLVEKNGRN-KRWDZBQOSA-N 1 1 298.430 3.241 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccoc2C)CC[C@H]1C ZINC001071342999 801530097 /nfs/dbraw/zinc/53/00/97/801530097.db2.gz QSUWKTYARPXCFC-HIFRSBDPSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2ccoc2C)CC[C@@H]1C ZINC001071342998 801530557 /nfs/dbraw/zinc/53/05/57/801530557.db2.gz QSUWKTYARPXCFC-DZGCQCFKSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C=C2CCCCC2)CC[C@@H]1C ZINC001071373617 801531588 /nfs/dbraw/zinc/53/15/88/801531588.db2.gz MBKPRGBQPNUZDV-DOTOQJQBSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C(C)=C2CCCC2)CC[C@H]1C ZINC001071427864 801535726 /nfs/dbraw/zinc/53/57/26/801535726.db2.gz RJBDKLOMVFLHRM-RHSMWYFYSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C(C)=C2CCCC2)CC[C@@H]1C ZINC001071427866 801536584 /nfs/dbraw/zinc/53/65/84/801536584.db2.gz RJBDKLOMVFLHRM-YOEHRIQHSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C=C2CCC2)CC[C@H]1C ZINC001071423334 801536949 /nfs/dbraw/zinc/53/69/49/801536949.db2.gz AXYUVWALQPWEHP-ZBFHGGJFSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2csc(C)c2C)CC[C@H]1C ZINC001071531839 801543165 /nfs/dbraw/zinc/54/31/65/801543165.db2.gz QXBYVSUNKMFBCL-BXUZGUMPSA-N 1 1 292.448 3.134 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C2CCC3(CC3)CC2)CC[C@H]1C ZINC001071689398 801546200 /nfs/dbraw/zinc/54/62/00/801546200.db2.gz JVINCNPKDNGENF-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C2(C)CCCC2)CC[C@H]1C ZINC001071716281 801547608 /nfs/dbraw/zinc/54/76/08/801547608.db2.gz RZDQOJBFGHDQCU-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C2(C3CC3)CCC2)CC[C@H]1C ZINC001071709559 801548191 /nfs/dbraw/zinc/54/81/91/801548191.db2.gz ZZRLRZJSYPQWIE-GDBMZVCRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)c2occc2C(C)C)CC[C@H]1C ZINC001071762358 801549734 /nfs/dbraw/zinc/54/97/34/801549734.db2.gz MNUHFQGYOFUSIB-ZIAGYGMSSA-N 1 1 290.407 3.172 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2occc2CC)CC[C@H]1C ZINC001071800132 801552111 /nfs/dbraw/zinc/55/21/11/801552111.db2.gz RPDFSRQSEOXJNT-HIFRSBDPSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)c2ccoc2CCC)CC[C@@H]1C ZINC001071993121 801558753 /nfs/dbraw/zinc/55/87/53/801558753.db2.gz PDYOLLCRIFSUHL-UONOGXRCSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)c3ccc(C)c(C)c3)C2)C1 ZINC001073400070 801580323 /nfs/dbraw/zinc/58/03/23/801580323.db2.gz KJGOKJWKJHRMSN-UHFFFAOYSA-N 1 1 298.430 3.027 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001079729383 801647546 /nfs/dbraw/zinc/64/75/46/801647546.db2.gz DXJMLVDIUUVVDO-QKPAOTATSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001081014009 801655975 /nfs/dbraw/zinc/65/59/75/801655975.db2.gz NXLAHQCOIHXOOJ-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001081054799 801660035 /nfs/dbraw/zinc/66/00/35/801660035.db2.gz GGSDAYVYZWYPSU-ZIAGYGMSSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3c(C)cccc3C)[C@@H]2C1 ZINC001084680039 801670443 /nfs/dbraw/zinc/67/04/43/801670443.db2.gz WYTQCAJELXIMBL-IAGOWNOFSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1C ZINC001085465373 801688442 /nfs/dbraw/zinc/68/84/42/801688442.db2.gz ALWKZXSCIZGSNX-INIZCTEOSA-N 1 1 286.419 3.108 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC=CCCC1 ZINC001085669231 801699096 /nfs/dbraw/zinc/69/90/96/801699096.db2.gz VNDWZMXLSPYFOO-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2C[C@@H](C)CC)CC1 ZINC001085801212 801705144 /nfs/dbraw/zinc/70/51/44/801705144.db2.gz MHQXHHAWBYYEOS-WMLDXEAASA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC(C)(C)C1 ZINC001085804365 801705402 /nfs/dbraw/zinc/70/54/02/801705402.db2.gz HQTKNHRTJNRDFK-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1ccsc1Cl ZINC001085856879 801709106 /nfs/dbraw/zinc/70/91/06/801709106.db2.gz KOOCGVIWCWPJDL-NSHDSACASA-N 1 1 298.839 3.124 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccsc1Cl ZINC001085856879 801709111 /nfs/dbraw/zinc/70/91/11/801709111.db2.gz KOOCGVIWCWPJDL-NSHDSACASA-N 1 1 298.839 3.124 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[C@H](CC)CC1 ZINC001085937051 801712528 /nfs/dbraw/zinc/71/25/28/801712528.db2.gz UJJLBKVGMIIUKE-ULQDDVLXSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)ccc1C ZINC001085945934 801715079 /nfs/dbraw/zinc/71/50/79/801715079.db2.gz VGPOFKYLGWVYNV-INIZCTEOSA-N 1 1 286.419 3.026 20 30 CGEDMO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2c(cccc2C)o1 ZINC001085991738 801715516 /nfs/dbraw/zinc/71/55/16/801715516.db2.gz UPOUUFWZWVBHNQ-AWEZNQCLSA-N 1 1 298.386 3.074 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2c(cccc2C)o1 ZINC001085991738 801715527 /nfs/dbraw/zinc/71/55/27/801715527.db2.gz UPOUUFWZWVBHNQ-AWEZNQCLSA-N 1 1 298.386 3.074 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1coc2ccccc12 ZINC001086000298 801719093 /nfs/dbraw/zinc/71/90/93/801719093.db2.gz GMSFLXXWFAVINL-AWEZNQCLSA-N 1 1 298.386 3.155 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC2=CCCCC2)[C@H]1CC ZINC001087522139 801755839 /nfs/dbraw/zinc/75/58/39/801755839.db2.gz OUUSNBJRMFDRMO-DLBZAZTESA-N 1 1 290.451 3.422 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2C=CCC2)CC(C)(C)C1 ZINC001089315123 801833422 /nfs/dbraw/zinc/83/34/22/801833422.db2.gz HYOGDVCVAZTPAC-HZPDHXFCSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H]2C)CC(C)(C)C1 ZINC001089467412 801840092 /nfs/dbraw/zinc/84/00/92/801840092.db2.gz UDEDFJNXCCJJTE-JYJNAYRXSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001089683209 801849027 /nfs/dbraw/zinc/84/90/27/801849027.db2.gz OBMMJOCXTVKBHO-KWCYVHTRSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001089683209 801849032 /nfs/dbraw/zinc/84/90/32/801849032.db2.gz OBMMJOCXTVKBHO-KWCYVHTRSA-N 1 1 298.858 3.002 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC(C)(C)C1)C2 ZINC001096631008 801889604 /nfs/dbraw/zinc/88/96/04/801889604.db2.gz OZRWCYXHBHTKDG-FZKCQIBNSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)=C1CCC1)C2 ZINC001097054275 801897135 /nfs/dbraw/zinc/89/71/35/801897135.db2.gz JWXDDALMLUVSFN-ZACQAIPSSA-N 1 1 288.435 3.175 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC(C)=C(C)C1)C2 ZINC001097127973 801898959 /nfs/dbraw/zinc/89/89/59/801898959.db2.gz LDLNIFUOGIFPQL-HZMVEIRTSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(C)CC=CCC1)C2 ZINC001097130320 801899565 /nfs/dbraw/zinc/89/95/65/801899565.db2.gz IKKCELNSNPPDKN-CBZIJGRNSA-N 1 1 288.435 3.030 20 30 CGEDMO C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)F ZINC001098863328 801917927 /nfs/dbraw/zinc/91/79/27/801917927.db2.gz UCUVVWJLGLLOPL-CQSZACIVSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C=C(C)C ZINC001098880933 801918710 /nfs/dbraw/zinc/91/87/10/801918710.db2.gz UNVSSBPNMBAXCC-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)CC ZINC001098916784 801920182 /nfs/dbraw/zinc/92/01/82/801920182.db2.gz UFJMXVHPSXCUMG-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)CCC ZINC001098983657 801923997 /nfs/dbraw/zinc/92/39/97/801923997.db2.gz SEQIXRFTSSSCKO-JKSUJKDBSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)/C=C/C(C)(C)C ZINC001098977066 801924916 /nfs/dbraw/zinc/92/49/16/801924916.db2.gz ZYAFGYHPJXHKPQ-BOLDSZDNSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H](C)CC ZINC001099038278 801926450 /nfs/dbraw/zinc/92/64/50/801926450.db2.gz DXTFMERGEXSRRO-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H](C)CC ZINC001099048860 801926996 /nfs/dbraw/zinc/92/69/96/801926996.db2.gz LIOJNCUTKUJXMN-JKSUJKDBSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCCF ZINC001099170284 801930222 /nfs/dbraw/zinc/93/02/22/801930222.db2.gz FNXFRNWPEBICTO-CQSZACIVSA-N 1 1 298.446 3.165 20 30 CGEDMO C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC1(C)CC1 ZINC001099149533 801930774 /nfs/dbraw/zinc/93/07/74/801930774.db2.gz TUZBBXIKDFFVQR-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)C(C)C ZINC001099257252 801933803 /nfs/dbraw/zinc/93/38/03/801933803.db2.gz CGNJXNUQKZQLQZ-JKSUJKDBSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)C(C)C ZINC001099257331 801933894 /nfs/dbraw/zinc/93/38/94/801933894.db2.gz DITFGWOTHSHZCJ-JKSUJKDBSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)CCC)C[C@]2(C)C1 ZINC001101106957 801972025 /nfs/dbraw/zinc/97/20/25/801972025.db2.gz KFDXIEHWZPLMQI-AEFFLSMTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)CCC)C[C@]2(C)C1 ZINC001101405502 801977251 /nfs/dbraw/zinc/97/72/51/801977251.db2.gz BJYBZZKYELXUQQ-JZXOWHBKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CN(C(=O)C[C@H](C)CC(C)C)C[C@]2(C)C1 ZINC001101426806 801979771 /nfs/dbraw/zinc/97/97/71/801979771.db2.gz ZDISHYULUAGHEJ-NUJGCVRESA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)CCC)[C@H](C)C1 ZINC001101830738 801991405 /nfs/dbraw/zinc/99/14/05/801991405.db2.gz YRYPYOPSMOIYEW-BZUAXINKSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)CCCC)[C@H](C)C1 ZINC001101934739 801995820 /nfs/dbraw/zinc/99/58/20/801995820.db2.gz JYOPPADAEYDIFA-GVDBMIGSSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)C2CCC2)[C@H](C)C1 ZINC001102080325 801997229 /nfs/dbraw/zinc/99/72/29/801997229.db2.gz ZUOHBXZOOMPCPI-HLLBOEOZSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)CC(C)(C)CC)[C@H](C)C1 ZINC001102001365 801998581 /nfs/dbraw/zinc/99/85/81/801998581.db2.gz ISAACTHDJNJEHG-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC(CC=C)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)C[C@H]1C ZINC001101996810 801998626 /nfs/dbraw/zinc/99/86/26/801998626.db2.gz JMPYYCLUJIDKLV-NVXWUHKLSA-N 1 1 292.467 3.095 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](C[C@@H](C)CC)C[C@H]1C ZINC001102219754 801999550 /nfs/dbraw/zinc/99/95/50/801999550.db2.gz UAQBBJYBIHXNMV-ARFHVFGLSA-N 1 1 294.483 3.319 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NC[C@@H]1C[N@@H+](CCCC)C[C@H]1C ZINC001102261075 802003204 /nfs/dbraw/zinc/00/32/04/802003204.db2.gz MZZIGALYKAZIHC-ARFHVFGLSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)CCC)[C@H](C)C1 ZINC001102302771 802004536 /nfs/dbraw/zinc/00/45/36/802004536.db2.gz AIMFLKBSRMLOIY-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)CC[C@@H](C)CC)[C@H](C)C1 ZINC001102478497 802008737 /nfs/dbraw/zinc/00/87/37/802008737.db2.gz VGVSBENRNKWBGS-GVDBMIGSSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)C(C)(C)CC(C)C)[C@H](C)C1 ZINC001102502633 802010895 /nfs/dbraw/zinc/01/08/95/802010895.db2.gz IYWQDKDQZBKOAB-HZPDHXFCSA-N 1 1 294.483 3.319 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)C[C@@H](C)C2CC2)[C@H](C)C1 ZINC001102603976 802014066 /nfs/dbraw/zinc/01/40/66/802014066.db2.gz DWUQCISKYKJYOQ-BFYDXBDKSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)C)C1 ZINC001102674429 802017372 /nfs/dbraw/zinc/01/73/72/802017372.db2.gz PLQJQHSQEWWGFA-BZUAXINKSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2CCCCC2)C1 ZINC001102651317 802017985 /nfs/dbraw/zinc/01/79/85/802017985.db2.gz AMXGSMFVWIUVEH-NVXWUHKLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCC(=O)NCC[C@@H]1C[N@@H+](CC/C=C\CC)C[C@H]1C ZINC001102762218 802019948 /nfs/dbraw/zinc/01/99/48/802019948.db2.gz RUDGBYVHMOGRLD-QXUXXFOKSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](CCC)C[C@H]1C ZINC001103306240 802028679 /nfs/dbraw/zinc/02/86/79/802028679.db2.gz AHNRPNKEMQZXIZ-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCC[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC001103401919 802032495 /nfs/dbraw/zinc/03/24/95/802032495.db2.gz SQVNTLRTHNAELE-BFYDXBDKSA-N 1 1 280.456 3.071 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCC[C@@H]1C[N@@H+](CCCF)C[C@H]1C ZINC001103401608 802032984 /nfs/dbraw/zinc/03/29/84/802032984.db2.gz HWONMKSMSRZPNF-INMHGKMJSA-N 1 1 298.446 3.023 20 30 CGEDMO C=CCC(C)(C)C(=O)NCC[C@@H]1C[N@@H+](CCCC)C[C@H]1C ZINC001103474870 802035176 /nfs/dbraw/zinc/03/51/76/802035176.db2.gz NWUZBDQXESSXJO-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccsc1)C2 ZINC001108905169 802104937 /nfs/dbraw/zinc/10/49/37/802104937.db2.gz XXGKJGQSYIXKCE-ILXRZTDVSA-N 1 1 290.432 3.049 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)CCC)C2 ZINC001109052060 802106617 /nfs/dbraw/zinc/10/66/17/802106617.db2.gz OHDSHLYKYCJWML-WCVJEAGWSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C(C)=C/C)C2 ZINC001109133106 802110200 /nfs/dbraw/zinc/11/02/00/802110200.db2.gz YNBVRGHZEKTKDD-BMOWVJJNSA-N 1 1 276.424 3.029 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C=C(CC)CC)C2 ZINC001109150721 802110584 /nfs/dbraw/zinc/11/05/84/802110584.db2.gz CUGVXFCKBWXDEI-PMPSAXMXSA-N 1 1 276.424 3.030 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C(C)C)C2 ZINC001109332831 802112425 /nfs/dbraw/zinc/11/24/25/802112425.db2.gz FFWNWQGALBVBBH-PMPSAXMXSA-N 1 1 292.467 3.356 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C(C)C)C2 ZINC001109336783 802115327 /nfs/dbraw/zinc/11/53/27/802115327.db2.gz OVZYQONQXQCRRA-PMPSAXMXSA-N 1 1 292.467 3.356 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1 ZINC001109632823 802120211 /nfs/dbraw/zinc/12/02/11/802120211.db2.gz DVXRKBWTGOZTKG-SIXLDLHFSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1 ZINC001109632822 802121195 /nfs/dbraw/zinc/12/11/95/802121195.db2.gz DVXRKBWTGOZTKG-ORQFMDKSSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)CCC)C2 ZINC001109662515 802122374 /nfs/dbraw/zinc/12/23/74/802122374.db2.gz RTNDDCZMBCYXDG-ILXRZTDVSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)CCC)C2 ZINC001109891782 802127122 /nfs/dbraw/zinc/12/71/22/802127122.db2.gz TUALBMVQZNOMCS-WCVJEAGWSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(C)c1)C2 ZINC001110252396 802133797 /nfs/dbraw/zinc/13/37/97/802133797.db2.gz FNGKDVAMMVVWAG-KURKYZTESA-N 1 1 298.430 3.296 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)CCC)C2 ZINC001110406078 802139683 /nfs/dbraw/zinc/13/96/83/802139683.db2.gz VSRTVHJYJWDODD-JJXSEGSLSA-N 1 1 278.440 3.110 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)/C=C(\C)CC)C2 ZINC001110535545 802144503 /nfs/dbraw/zinc/14/45/03/802144503.db2.gz QMUIRTUVFWBDSD-NWJGJRDGSA-N 1 1 276.424 3.030 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(C)(C)C=C)C2 ZINC001110604010 802146748 /nfs/dbraw/zinc/14/67/48/802146748.db2.gz ZGYNEKINAHMZRI-OAGGEKHMSA-N 1 1 290.451 3.276 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C(=C)C)C2 ZINC001110892127 802148352 /nfs/dbraw/zinc/14/83/52/802148352.db2.gz NCMYZCFCKOGMMF-OAGGEKHMSA-N 1 1 290.451 3.276 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCCCC)C2 ZINC001111347032 802158881 /nfs/dbraw/zinc/15/88/81/802158881.db2.gz HEBZBJUMTFBZRU-OAGGEKHMSA-N 1 1 278.440 3.254 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC2CC2)C1 ZINC001111848416 802170246 /nfs/dbraw/zinc/17/02/46/802170246.db2.gz GFZUTRDRJMYTBS-WMZOPIPTSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCCCCC[NH+]1CCN(C(=O)c2occc2C)CC1 ZINC001112610635 802180863 /nfs/dbraw/zinc/18/08/63/802180863.db2.gz UYGXILNLZHDFFU-UHFFFAOYSA-N 1 1 290.407 3.092 20 30 CGEDMO C=CCCCCC[NH+]1CCN(C(=O)C2(F)CCCC2)CC1 ZINC001113050416 802200222 /nfs/dbraw/zinc/20/02/22/802200222.db2.gz LJLXKPOVZFOKSD-UHFFFAOYSA-N 1 1 296.430 3.159 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CC[NH+](CC2=CCCCC2)CC1 ZINC001113243113 802208209 /nfs/dbraw/zinc/20/82/09/802208209.db2.gz DZKKLDFRBXHFKE-INIZCTEOSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1C ZINC001113790677 802234099 /nfs/dbraw/zinc/23/40/99/802234099.db2.gz KMTWFDLRTPAQGA-DZJNRPSUSA-N 1 1 298.430 3.010 20 30 CGEDMO C=C(C)CCC(=O)NC1[C@H]2C[N@H+](CC/C=C/CCC)C[C@@H]12 ZINC001114348740 802241623 /nfs/dbraw/zinc/24/16/23/802241623.db2.gz PQBSQWSZVVFLSP-FZNMQLMISA-N 1 1 290.451 3.136 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC(C)C)C[C@H]21 ZINC001114792998 802245873 /nfs/dbraw/zinc/24/58/73/802245873.db2.gz YKXVJJOJKASAIL-LHHMISFZSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CCC)C(C)C ZINC001114910857 802247104 /nfs/dbraw/zinc/24/71/04/802247104.db2.gz XCXKWFDIAKSRCN-MWDXBVQZSA-N 1 1 292.467 3.071 20 30 CGEDMO CC(C)[N@H+]1CCN(c2cc(C#N)c3ccccc3n2)C[C@H]1C ZINC001165199742 806974322 /nfs/dbraw/zinc/97/43/22/806974322.db2.gz KGCFAMXRBFEQAC-CQSZACIVSA-N 1 1 294.402 3.025 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001116350616 802334301 /nfs/dbraw/zinc/33/43/01/802334301.db2.gz HSJGEUYLJZIUHI-GFCCVEGCSA-N 1 1 275.783 3.495 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001116350616 802334311 /nfs/dbraw/zinc/33/43/11/802334311.db2.gz HSJGEUYLJZIUHI-GFCCVEGCSA-N 1 1 275.783 3.495 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@@H]1CNc1cccc(C)n1 ZINC001116471042 802360321 /nfs/dbraw/zinc/36/03/21/802360321.db2.gz GBBSXOMBINLSMU-OAHLLOKOSA-N 1 1 259.397 3.233 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](CCCOc2cccc(Cl)c2)C1 ZINC001116541969 802375210 /nfs/dbraw/zinc/37/52/10/802375210.db2.gz NWRPPVSRWGCUBN-MRXNPFEDSA-N 1 1 295.810 3.386 20 30 CGEDMO CCCCCCCC[C@H](CC)[NH2+][C@@](N)(CC)CO ZINC001172501516 808356746 /nfs/dbraw/zinc/35/67/46/808356746.db2.gz CYRDGBSSLFHFHL-GJZGRUSLSA-N 1 1 258.450 3.163 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](C)CC)C1 ZINC001270941556 808754864 /nfs/dbraw/zinc/75/48/64/808754864.db2.gz VLHYBIXMDQAAEP-WBVHZDCISA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](CC/C=C/c2ccccc2)C1 ZINC001117801085 802499274 /nfs/dbraw/zinc/49/92/74/802499274.db2.gz BWUFSILQNGTYCI-DKISHCGFSA-N 1 1 257.377 3.367 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@]2(CCC[C@@H]2C(=O)NC(C)(C)C)C1 ZINC001277758858 809093670 /nfs/dbraw/zinc/09/36/70/809093670.db2.gz ZTHUSORPECZABU-QAPCUYQASA-N 1 1 292.467 3.360 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001118631470 802590818 /nfs/dbraw/zinc/59/08/18/802590818.db2.gz VHMUXWHOCXVUGM-INIZCTEOSA-N 1 1 283.419 3.412 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](CCCSC(C)(C)C)C1 ZINC001119252804 802638909 /nfs/dbraw/zinc/63/89/09/802638909.db2.gz PUHNYKNVBNYTRA-ZDUSSCGKSA-N 1 1 257.443 3.185 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC001119253005 802639518 /nfs/dbraw/zinc/63/95/18/802639518.db2.gz WLLYERFMAPNOGD-NSHDSACASA-N 1 1 275.270 3.075 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC001119253005 802639521 /nfs/dbraw/zinc/63/95/21/802639521.db2.gz WLLYERFMAPNOGD-NSHDSACASA-N 1 1 275.270 3.075 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cnc3c(F)cccc3c2)C1 ZINC001119300696 802644697 /nfs/dbraw/zinc/64/46/97/802644697.db2.gz DFLOWMPAXFENHM-HNNXBMFYSA-N 1 1 286.350 3.151 20 30 CGEDMO C#CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C)C(C)(C)C ZINC001176287833 809661470 /nfs/dbraw/zinc/66/14/70/809661470.db2.gz JDINLLPWTSOKBB-UHFFFAOYSA-N 1 1 292.810 3.321 20 30 CGEDMO C#CC[N@H+](CC(=O)Nc1cc(Cl)ccc1C)C(C)(C)C ZINC001176287833 809661474 /nfs/dbraw/zinc/66/14/74/809661474.db2.gz JDINLLPWTSOKBB-UHFFFAOYSA-N 1 1 292.810 3.321 20 30 CGEDMO CCOC(=O)C[C@H]1CCC[N@H+]1CCCCC1(C#N)CCC1 ZINC001119719171 802694775 /nfs/dbraw/zinc/69/47/75/802694775.db2.gz DJWMDKBSBYQPLH-OAHLLOKOSA-N 1 1 292.423 3.268 20 30 CGEDMO C=CC[C@H]([NH2+]C[C@H]1CCC[C@@H](CC)C1)C(=O)OCC ZINC001181457962 810053724 /nfs/dbraw/zinc/05/37/24/810053724.db2.gz RZDCALDZEPILAW-ILXRZTDVSA-N 1 1 267.413 3.300 20 30 CGEDMO C=CC[C@@H]([NH2+][C@H](C)CCCC(F)(F)F)C(=O)OCC ZINC001181458222 810054095 /nfs/dbraw/zinc/05/40/95/810054095.db2.gz UJKFROGHOOMVSJ-GHMZBOCLSA-N 1 1 281.318 3.205 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CCC=C)C1 ZINC001120348092 802740800 /nfs/dbraw/zinc/74/08/00/802740800.db2.gz PIFOBSHUULJYIB-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CCC)C1 ZINC001120423269 802744797 /nfs/dbraw/zinc/74/47/97/802744797.db2.gz STPADMDGEKRQRF-IAGOWNOFSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@H](NC(=O)CSC)CC[C@H]1C ZINC001131807296 803346236 /nfs/dbraw/zinc/34/62/36/803346236.db2.gz AZIKKZNFGOSWDE-HUUCEWRRSA-N 1 1 298.496 3.065 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)C(CC)CC)CC[C@H]1C ZINC001131838256 803349528 /nfs/dbraw/zinc/34/95/28/803349528.db2.gz HKEQYNRFEXNDCP-GDBMZVCRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)CSC(C)C)CC[C@@H]1C ZINC001131866188 803352820 /nfs/dbraw/zinc/35/28/20/803352820.db2.gz VXOMTVQJGJDGKV-GJZGRUSLSA-N 1 1 298.496 3.063 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)CSC(C)C)CC[C@@H]1C ZINC001131862972 803353370 /nfs/dbraw/zinc/35/33/70/803353370.db2.gz YZZUQBNSXUVUHO-LSDHHAIUSA-N 1 1 298.496 3.063 20 30 CGEDMO C#CCCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCCCC)C1 ZINC001131976613 803364871 /nfs/dbraw/zinc/36/48/71/803364871.db2.gz NFZIHSGXVCMCBW-SJORKVTESA-N 1 1 292.467 3.339 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCCC(C)C)C1 ZINC001132003280 803365549 /nfs/dbraw/zinc/36/55/49/803365549.db2.gz SEYSMUWQGAYVPM-IAGOWNOFSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC2CC2)C1 ZINC001132057226 803370094 /nfs/dbraw/zinc/37/00/94/803370094.db2.gz LLBVNMPHWMCMKA-RHSMWYFYSA-N 1 1 290.451 3.134 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)CC2(C)CC2)CC[C@H]1C ZINC001132195723 803379169 /nfs/dbraw/zinc/37/91/69/803379169.db2.gz UFJIOCTXVQURRN-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(C)C)C1 ZINC001132221368 803379550 /nfs/dbraw/zinc/37/95/50/803379550.db2.gz GNOFOQQJNIODTM-LSDHHAIUSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)c2cc(C)co2)CC[C@@H]1C ZINC001132235381 803383131 /nfs/dbraw/zinc/38/31/31/803383131.db2.gz MSNPFSUXODUWEI-GJZGRUSLSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCC[N@H+]1C[C@H](NC(=O)C2(CC)CCC2)CC[C@H]1C ZINC001132244228 803385382 /nfs/dbraw/zinc/38/53/82/803385382.db2.gz HRSRAGBINKZXPO-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)C2(CC)CCC2)CC[C@@H]1C ZINC001132244049 803385912 /nfs/dbraw/zinc/38/59/12/803385912.db2.gz FBYDRRUQCSDIAB-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](NC(=O)C2(CCC)CC2)CC[C@H]1C ZINC001132274062 803391118 /nfs/dbraw/zinc/39/11/18/803391118.db2.gz NZFKJFWLZPVJIP-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO CC#CC[N@H+]1C[C@@H](NC(=O)CCCCC(C)C)CC[C@H]1C ZINC001132369077 803398401 /nfs/dbraw/zinc/39/84/01/803398401.db2.gz UEUKXXOIUIBWQZ-SJORKVTESA-N 1 1 292.467 3.195 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2cnn(COC)c2)cc1 ZINC001245222174 803666645 /nfs/dbraw/zinc/66/66/45/803666645.db2.gz HLEZVDCKNDNGNI-SFHVURJKSA-N 1 1 297.402 3.477 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2cc3ccccc3[nH]c2=O)CC1 ZINC001137187261 803695049 /nfs/dbraw/zinc/69/50/49/803695049.db2.gz LVKQESLBQFAJBN-CYBMUJFWSA-N 1 1 281.359 3.066 20 30 CGEDMO N#C[C@H]1CC[N@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC001137394078 803728205 /nfs/dbraw/zinc/72/82/05/803728205.db2.gz YJVVAPDWWCHZOJ-OAHLLOKOSA-N 1 1 263.344 3.094 20 30 CGEDMO N#C[C@H]1CC[N@@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC001137394078 803728210 /nfs/dbraw/zinc/72/82/10/803728210.db2.gz YJVVAPDWWCHZOJ-OAHLLOKOSA-N 1 1 263.344 3.094 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2F)C1 ZINC001137661340 803752707 /nfs/dbraw/zinc/75/27/07/803752707.db2.gz PZMMTTYSMFQRBA-LLVKDONJSA-N 1 1 251.732 3.324 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC001137661340 803752715 /nfs/dbraw/zinc/75/27/15/803752715.db2.gz PZMMTTYSMFQRBA-LLVKDONJSA-N 1 1 251.732 3.324 20 30 CGEDMO CC(=O)Oc1cccc(C[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC001138042863 803838938 /nfs/dbraw/zinc/83/89/38/803838938.db2.gz FCZDVTVDAYJUNC-UHFFFAOYSA-N 1 1 294.354 3.116 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@](C)(F)C2)cc1OC ZINC001138343328 803898295 /nfs/dbraw/zinc/89/82/95/803898295.db2.gz KAPQJJANEHFYFX-KRWDZBQOSA-N 1 1 291.366 3.031 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC[C@](C)(F)C2)cc1OC ZINC001138343328 803898305 /nfs/dbraw/zinc/89/83/05/803898305.db2.gz KAPQJJANEHFYFX-KRWDZBQOSA-N 1 1 291.366 3.031 20 30 CGEDMO C#CC[NH+](CC#C)Cc1cccc(-c2ccc(OC)cc2)c1 ZINC001138618212 803982186 /nfs/dbraw/zinc/98/21/86/803982186.db2.gz VFRGWRRNFCNWEE-UHFFFAOYSA-N 1 1 289.378 3.431 20 30 CGEDMO C=CCc1cccc(C[N@H+]2Cc3cnc(C)cc3C2)c1O ZINC001138628245 803984981 /nfs/dbraw/zinc/98/49/81/803984981.db2.gz QWBRNDHWPPBNRK-UHFFFAOYSA-N 1 1 280.371 3.340 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2Cc3cnc(C)cc3C2)c1O ZINC001138628245 803984987 /nfs/dbraw/zinc/98/49/87/803984987.db2.gz QWBRNDHWPPBNRK-UHFFFAOYSA-N 1 1 280.371 3.340 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CC[C@]3(C2)CCCOC3)c1O ZINC001138629717 803986528 /nfs/dbraw/zinc/98/65/28/803986528.db2.gz GTEQNNNGMNIPEV-SFHVURJKSA-N 1 1 287.403 3.123 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC001138652831 803992698 /nfs/dbraw/zinc/99/26/98/803992698.db2.gz IDJQBDUOWBKFIW-CQSZACIVSA-N 1 1 298.365 3.137 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+](CC)CCOC ZINC001138663036 803998030 /nfs/dbraw/zinc/99/80/30/803998030.db2.gz LYZLFBKLXLCXAC-UHFFFAOYSA-N 1 1 263.381 3.110 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1CC[C@@H](OCC)C1 ZINC001138666543 803998615 /nfs/dbraw/zinc/99/86/15/803998615.db2.gz XBZZJCBEZULVRU-MRXNPFEDSA-N 1 1 275.392 3.252 20 30 CGEDMO CC[N@H+](CCC#N)Cc1c(C)cc(OC)c(C)c1C ZINC001138729753 804023491 /nfs/dbraw/zinc/02/34/91/804023491.db2.gz UGRCUCQOBLCMMH-UHFFFAOYSA-N 1 1 260.381 3.356 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1c(C)cc(OC)c(C)c1C ZINC001138729753 804023497 /nfs/dbraw/zinc/02/34/97/804023497.db2.gz UGRCUCQOBLCMMH-UHFFFAOYSA-N 1 1 260.381 3.356 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(OC)c2OC)C1 ZINC001138746174 804028249 /nfs/dbraw/zinc/02/82/49/804028249.db2.gz RUJSKEOICDNRGJ-GFCCVEGCSA-N 1 1 293.794 3.202 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2OC)C1 ZINC001138746174 804028255 /nfs/dbraw/zinc/02/82/55/804028255.db2.gz RUJSKEOICDNRGJ-GFCCVEGCSA-N 1 1 293.794 3.202 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[NH2+][C@H](CN)c1ccccc1 ZINC001245971580 804092262 /nfs/dbraw/zinc/09/22/62/804092262.db2.gz BBFOXZQOHQPNER-QZTJIDSGSA-N 1 1 290.451 3.164 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+]1C[C@H](C)CC[C@@H]1CN ZINC001246019433 804101105 /nfs/dbraw/zinc/10/11/05/804101105.db2.gz HIAFDHKJWFFKSY-ZACQAIPSSA-N 1 1 284.488 3.157 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1C[C@H](C)CC[C@@H]1CN ZINC001246019433 804101108 /nfs/dbraw/zinc/10/11/08/804101108.db2.gz HIAFDHKJWFFKSY-ZACQAIPSSA-N 1 1 284.488 3.157 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001139029310 804111827 /nfs/dbraw/zinc/11/18/27/804111827.db2.gz SVJPAWQJNUVYPT-SOUVJXGZSA-N 1 1 261.340 3.041 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@@](C)(CF)C1 ZINC001139028985 804112078 /nfs/dbraw/zinc/11/20/78/804112078.db2.gz LXRLIKUZCRNVFW-INIZCTEOSA-N 1 1 263.356 3.433 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCOC[C@H]1C(C)C ZINC001139030562 804114884 /nfs/dbraw/zinc/11/48/84/804114884.db2.gz QJSCPAXMTKJYOL-INIZCTEOSA-N 1 1 275.392 3.108 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCOC[C@H]1C(C)C ZINC001139030562 804114890 /nfs/dbraw/zinc/11/48/90/804114890.db2.gz QJSCPAXMTKJYOL-INIZCTEOSA-N 1 1 275.392 3.108 20 30 CGEDMO N#CC1(c2ccc(-n3c[nH+]c4cccc(N)c43)cc2)CC1 ZINC001212253472 814997657 /nfs/dbraw/zinc/99/76/57/814997657.db2.gz KVRVUXDIBZLEEV-UHFFFAOYSA-N 1 1 274.327 3.163 20 30 CGEDMO CCCCCCCC[C@H](CC)[NH2+]C[C@@]1(O)CCCNC1 ZINC001246231050 804223575 /nfs/dbraw/zinc/22/35/75/804223575.db2.gz NWYVRMFXSPWTGS-DLBZAZTESA-N 1 1 284.488 3.220 20 30 CGEDMO C#Cc1cccc(CN[C@H]2CC[NH2+][C@@H](CCCC)C2)c1 ZINC001246261403 804241932 /nfs/dbraw/zinc/24/19/32/804241932.db2.gz DHPGQFINKARYST-ROUUACIJSA-N 1 1 270.420 3.068 20 30 CGEDMO Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)ccc1N(C)C ZINC001139673032 804248192 /nfs/dbraw/zinc/24/81/92/804248192.db2.gz PGDUWWRJBQXWAE-OSYLJGHBSA-N 1 1 283.419 3.328 20 30 CGEDMO N#Cc1cccc2c(C[N@H+]3CC[C@@]4(C3)CCCCO4)c[nH]c21 ZINC001139702371 804258158 /nfs/dbraw/zinc/25/81/58/804258158.db2.gz CBEAPGRMWUJKGH-GOSISDBHSA-N 1 1 295.386 3.185 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2c[nH]c3c2cccc3C#N)CC[C@@]1(C)O ZINC001139701762 804258224 /nfs/dbraw/zinc/25/82/24/804258224.db2.gz PGRFVBHMGPLXHI-FZKQIMNGSA-N 1 1 297.402 3.022 20 30 CGEDMO CC[N@@H+](Cc1c[nH]c2c1cccc2C#N)Cc1cccnc1 ZINC001139703309 804260370 /nfs/dbraw/zinc/26/03/70/804260370.db2.gz NDMLCKLLCREAJR-UHFFFAOYSA-N 1 1 290.370 3.457 20 30 CGEDMO N#Cc1cccc2c(C[N@H+]3C[C@H]4[C@H](CC4(F)F)C3)c[nH]c21 ZINC001139704825 804260916 /nfs/dbraw/zinc/26/09/16/804260916.db2.gz YWWYXENTABRBAU-RISCZKNCSA-N 1 1 287.313 3.127 20 30 CGEDMO CCO[C@H]1CCC[N@@H+](Cc2c[nH]c3c2cccc3C#N)C1 ZINC001139703380 804261100 /nfs/dbraw/zinc/26/11/00/804261100.db2.gz PJYQYVRXCQRJJH-HNNXBMFYSA-N 1 1 283.375 3.040 20 30 CGEDMO CCCCCCCCCC[C@H](C)[NH2+][C@@H]1CCNC[C@@H]1CO ZINC001246320539 804279056 /nfs/dbraw/zinc/27/90/56/804279056.db2.gz JPKJCACPFCRMTJ-RCCFBDPRSA-N 1 1 298.515 3.466 20 30 CGEDMO CN(C)c1ccc(C[N@@H+](C)Cc2cc(F)cc(C#N)c2)cc1 ZINC001139878730 804307510 /nfs/dbraw/zinc/30/75/10/804307510.db2.gz VSJAZAIHQBEXTD-UHFFFAOYSA-N 1 1 297.377 3.395 20 30 CGEDMO N#Cc1cc(F)cc(C[NH+]2CC(c3ccccc3)C2)c1 ZINC001139876134 804308618 /nfs/dbraw/zinc/30/86/18/804308618.db2.gz MCTJWFVPQCKICX-UHFFFAOYSA-N 1 1 266.319 3.297 20 30 CGEDMO N#Cc1ccc2[nH]cc(C[N@H+]3CC[C@@H]4OCCC[C@H]4C3)c2c1 ZINC001140112471 804380998 /nfs/dbraw/zinc/38/09/98/804380998.db2.gz VJZCPGOPAVHUEI-KSSFIOAISA-N 1 1 295.386 3.040 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](C(F)F)C2)c(F)c1 ZINC001140139440 804387142 /nfs/dbraw/zinc/38/71/42/804387142.db2.gz RTZBHROQZGPQDB-LBPRGKRZSA-N 1 1 268.282 3.174 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](C(F)F)C2)c(F)c1 ZINC001140139440 804387149 /nfs/dbraw/zinc/38/71/49/804387149.db2.gz RTZBHROQZGPQDB-LBPRGKRZSA-N 1 1 268.282 3.174 20 30 CGEDMO N#Cc1ccc(C2CCC([N@H+]3CCCC[C@H](N)C3)CC2)cc1 ZINC001246557813 804405720 /nfs/dbraw/zinc/40/57/20/804405720.db2.gz IETGFGZHSOWMIP-XBMUEBEBSA-N 1 1 297.446 3.398 20 30 CGEDMO N#Cc1ccc(C2CCC(N3CCCC[C@H]([NH3+])C3)CC2)cc1 ZINC001246557813 804405724 /nfs/dbraw/zinc/40/57/24/804405724.db2.gz IETGFGZHSOWMIP-XBMUEBEBSA-N 1 1 297.446 3.398 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1OCC(=O)OC)C(C)(C)C ZINC001140427474 804432252 /nfs/dbraw/zinc/43/22/52/804432252.db2.gz XJUFEEBGEJGVJR-UHFFFAOYSA-N 1 1 291.391 3.025 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CCNC[C@H]1COC ZINC001246596989 804437103 /nfs/dbraw/zinc/43/71/03/804437103.db2.gz QWZFHROJQZSQSM-HOTGVXAUSA-N 1 1 270.461 3.046 20 30 CGEDMO CCCCCCC[C@H](CC)N1CC[NH2+]C[C@H]1COC ZINC001246596989 804437108 /nfs/dbraw/zinc/43/71/08/804437108.db2.gz QWZFHROJQZSQSM-HOTGVXAUSA-N 1 1 270.461 3.046 20 30 CGEDMO N#Cc1cccc(C(F)(F)F)c1Nc1ccc[nH+]c1N ZINC001212404074 815019358 /nfs/dbraw/zinc/01/93/58/815019358.db2.gz KSCNRMVHLMEKDS-UHFFFAOYSA-N 1 1 278.237 3.298 20 30 CGEDMO CC1(F)CC[NH+](Cc2cc(F)c(C#N)c(F)c2)CC1 ZINC001140751375 804504459 /nfs/dbraw/zinc/50/44/59/804504459.db2.gz ULKNNMDYLPFYSM-UHFFFAOYSA-N 1 1 268.282 3.160 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[N@@H+](C)C2(CCCCC2)C1 ZINC001141152832 804600131 /nfs/dbraw/zinc/60/01/31/804600131.db2.gz DYSCPKHYPYHKAN-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO CCCCCCCC[C@H](CCC)[N@H+]1C[C@@H](N)C[C@@H]1CO ZINC001246938554 804610868 /nfs/dbraw/zinc/61/08/68/804610868.db2.gz NNNREPOHGGHNPQ-YESZJQIVSA-N 1 1 284.488 3.300 20 30 CGEDMO C=CCC[C@H](C)[N@H+]([C@H]1CCNC1)C1CCCCC1 ZINC001246980029 804626840 /nfs/dbraw/zinc/62/68/40/804626840.db2.gz QDKZLHBPACJRRW-HOCLYGCPSA-N 1 1 250.430 3.338 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]([C@H]1CCNC1)C1CCCCC1 ZINC001246980029 804626843 /nfs/dbraw/zinc/62/68/43/804626843.db2.gz QDKZLHBPACJRRW-HOCLYGCPSA-N 1 1 250.430 3.338 20 30 CGEDMO COc1ccsc1C[N@@H+]1CCc2cc(C#N)ccc2C1 ZINC001141318695 804629476 /nfs/dbraw/zinc/62/94/76/804629476.db2.gz ZIIXTUINRGSMFZ-UHFFFAOYSA-N 1 1 284.384 3.187 20 30 CGEDMO COc1ccsc1C[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001141318695 804629479 /nfs/dbraw/zinc/62/94/79/804629479.db2.gz ZIIXTUINRGSMFZ-UHFFFAOYSA-N 1 1 284.384 3.187 20 30 CGEDMO COc1cc(C(F)(F)F)ccc1C[NH+]1CCC(C#N)CC1 ZINC001141602585 804655676 /nfs/dbraw/zinc/65/56/76/804655676.db2.gz FYXVKKNLTCUAEV-UHFFFAOYSA-N 1 1 298.308 3.450 20 30 CGEDMO C#CC[NH+](CC#C)Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001141741397 804666700 /nfs/dbraw/zinc/66/67/00/804666700.db2.gz NYVYYRRZWGTNEE-UHFFFAOYSA-N 1 1 271.363 3.326 20 30 CGEDMO C=CC1(CC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CCCCC1 ZINC001141750726 804667798 /nfs/dbraw/zinc/66/77/98/804667798.db2.gz SLCDSWZVQLLMNN-HZPDHXFCSA-N 1 1 290.451 3.256 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccc(COC(C)=O)o1 ZINC001141792020 804669836 /nfs/dbraw/zinc/66/98/36/804669836.db2.gz KBIIBCDPFNYAIV-UHFFFAOYSA-N 1 1 265.353 3.131 20 30 CGEDMO C[N@@H+](CCc1ccccn1)Cc1c[nH]c2cc(C#N)ccc12 ZINC001142911824 804781501 /nfs/dbraw/zinc/78/15/01/804781501.db2.gz KZOWZMYTSOZEJZ-UHFFFAOYSA-N 1 1 290.370 3.109 20 30 CGEDMO COC[C@@H]1CCCC[N@H+]1Cc1c[nH]c2cc(C#N)ccc12 ZINC001142911999 804783319 /nfs/dbraw/zinc/78/33/19/804783319.db2.gz RDCFPQYRWNAITO-HNNXBMFYSA-N 1 1 283.375 3.040 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cc(F)c(F)cc2F)no1 ZINC001247623229 804784751 /nfs/dbraw/zinc/78/47/51/804784751.db2.gz YWPCAEMDNIWMAX-LLVKDONJSA-N 1 1 283.253 3.120 20 30 CGEDMO C[N@H+]1CCC[C@@H](CCNc2cccc3[nH]cc(CC#N)c32)C1 ZINC001165290246 806989076 /nfs/dbraw/zinc/98/90/76/806989076.db2.gz RECRIYOKZPGXGP-AWEZNQCLSA-N 1 1 296.418 3.378 20 30 CGEDMO CC(C)(C)c1cccc(C[N@H+]2CC[C@@](C)(C#N)C2)c1O ZINC001143116693 804805811 /nfs/dbraw/zinc/80/58/11/804805811.db2.gz JZECAHGCYCGJDN-KRWDZBQOSA-N 1 1 272.392 3.425 20 30 CGEDMO CCCC[N@H+](CC)Cc1c(F)ccc(C#N)c1F ZINC001143164043 804811934 /nfs/dbraw/zinc/81/19/34/804811934.db2.gz SQRGTTUTKPCQHP-UHFFFAOYSA-N 1 1 252.308 3.458 20 30 CGEDMO CCCC[N@@H+](CC)Cc1c(F)ccc(C#N)c1F ZINC001143164043 804811942 /nfs/dbraw/zinc/81/19/42/804811942.db2.gz SQRGTTUTKPCQHP-UHFFFAOYSA-N 1 1 252.308 3.458 20 30 CGEDMO C[N@H+](Cc1c(F)ccc(C#N)c1F)CC1CCCC1 ZINC001143173617 804814761 /nfs/dbraw/zinc/81/47/61/804814761.db2.gz ALINSZWVJGPASN-UHFFFAOYSA-N 1 1 264.319 3.458 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c1F ZINC001143166085 804815005 /nfs/dbraw/zinc/81/50/05/804815005.db2.gz DXPDVBKLJNMFDZ-PWSUYJOCSA-N 1 1 298.283 3.314 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c1F ZINC001143166085 804815014 /nfs/dbraw/zinc/81/50/14/804815014.db2.gz DXPDVBKLJNMFDZ-PWSUYJOCSA-N 1 1 298.283 3.314 20 30 CGEDMO CC(C)CC[C@@H]([NH3+])c1nc(-c2cccc(C#N)c2)no1 ZINC001247850710 804847911 /nfs/dbraw/zinc/84/79/11/804847911.db2.gz NVQXRKVTHGECKM-CYBMUJFWSA-N 1 1 270.336 3.044 20 30 CGEDMO Cc1cc(-c2noc([C@@H]([NH3+])CC(C)(C)C)n2)ccc1C#N ZINC001248188900 804891841 /nfs/dbraw/zinc/89/18/41/804891841.db2.gz FPTLPQWPAGUVIS-ZDUSSCGKSA-N 1 1 284.363 3.353 20 30 CGEDMO Cc1cc(-c2noc([C@@H]([NH3+])C3CCCC3)n2)ccc1C#N ZINC001248213629 804898789 /nfs/dbraw/zinc/89/87/89/804898789.db2.gz YEWCGQSHHRETIU-AWEZNQCLSA-N 1 1 282.347 3.107 20 30 CGEDMO N#Cc1ccc(C2CCC([N@@H+]3CCCC(=O)C3)CC2)cc1 ZINC001257020503 807028968 /nfs/dbraw/zinc/02/89/68/807028968.db2.gz GMDHNXCDRIMZTK-UHFFFAOYSA-N 1 1 282.387 3.249 20 30 CGEDMO N#Cc1ccc(C2CCC([N@H+]3CCCC(=O)C3)CC2)cc1 ZINC001257020503 807028976 /nfs/dbraw/zinc/02/89/76/807028976.db2.gz GMDHNXCDRIMZTK-UHFFFAOYSA-N 1 1 282.387 3.249 20 30 CGEDMO Cc1c(O)cccc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001144117492 804938138 /nfs/dbraw/zinc/93/81/38/804938138.db2.gz YVIPOEZPGJFUON-UHFFFAOYSA-N 1 1 266.344 3.204 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cn1)C(C)(C)Cc1ccccc1 ZINC001144166473 804947095 /nfs/dbraw/zinc/94/70/95/804947095.db2.gz HMHMNEHMPOPBPT-UHFFFAOYSA-N 1 1 279.387 3.406 20 30 CGEDMO C=CC[N@@H+](Cc1[nH]nc2ccc(F)cc21)C(C)(C)C ZINC001144200611 804953284 /nfs/dbraw/zinc/95/32/84/804953284.db2.gz FKOJTZMHCWUEPJ-UHFFFAOYSA-N 1 1 261.344 3.489 20 30 CGEDMO C=CC[N@H+](Cc1n[nH]c2ccc(F)cc21)C(C)(C)C ZINC001144200611 804953287 /nfs/dbraw/zinc/95/32/87/804953287.db2.gz FKOJTZMHCWUEPJ-UHFFFAOYSA-N 1 1 261.344 3.489 20 30 CGEDMO C=CC[N@@H+](Cc1n[nH]c2ccc(F)cc21)C(C)(C)C ZINC001144200611 804953294 /nfs/dbraw/zinc/95/32/94/804953294.db2.gz FKOJTZMHCWUEPJ-UHFFFAOYSA-N 1 1 261.344 3.489 20 30 CGEDMO C=CC[N@H+](Cc1ccc(C(=O)OC)cc1F)C(C)(C)C ZINC001144450195 804990526 /nfs/dbraw/zinc/99/05/26/804990526.db2.gz JOSSSXZNPUQMHG-UHFFFAOYSA-N 1 1 279.355 3.399 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1ccc(F)c2cc[nH]c21 ZINC001248817164 805002478 /nfs/dbraw/zinc/00/24/78/805002478.db2.gz LJSRYSFWJWPAIJ-UHFFFAOYSA-N 1 1 259.328 3.433 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1ccc(F)c2cc[nH]c21 ZINC001248817164 805002489 /nfs/dbraw/zinc/00/24/89/805002489.db2.gz LJSRYSFWJWPAIJ-UHFFFAOYSA-N 1 1 259.328 3.433 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC[C@@H](F)C(F)(F)CC2)cc1 ZINC001144567286 805006260 /nfs/dbraw/zinc/00/62/60/805006260.db2.gz HESJQRSMOOXGIU-CQSZACIVSA-N 1 1 267.294 3.237 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ncccc3C)C2)cc1 ZINC001144581725 805010584 /nfs/dbraw/zinc/01/05/84/805010584.db2.gz ZSZCXBIAXFCJIO-GOSISDBHSA-N 1 1 292.382 3.025 20 30 CGEDMO COc1c(F)ccc(F)c1C[NH+]1CCC(CC#N)CC1 ZINC001144755060 805051530 /nfs/dbraw/zinc/05/15/30/805051530.db2.gz QUAHWQYZRLDLJG-UHFFFAOYSA-N 1 1 280.318 3.099 20 30 CGEDMO C=CCN(CC1CCCCC1)C(=O)CC[N@@H+]1CC[C@H](F)C1 ZINC001146478244 805069350 /nfs/dbraw/zinc/06/93/50/805069350.db2.gz PSCXOSIZHDYIMD-INIZCTEOSA-N 1 1 296.430 3.015 20 30 CGEDMO Cc1ccccc1C[N@@H+](C)Cc1cnn2ccc(C#N)cc12 ZINC001249099972 805091750 /nfs/dbraw/zinc/09/17/50/805091750.db2.gz WNMMJPCOIICAJY-UHFFFAOYSA-N 1 1 290.370 3.146 20 30 CGEDMO C=CCCCCC[N@H+]1CCC2(CN(C(=O)CC3CC3)C2)C1 ZINC001146871116 805093157 /nfs/dbraw/zinc/09/31/57/805093157.db2.gz BAQSJNZGEYKYOV-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO CC[C@H](C)c1nn(C)cc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001249407270 805140809 /nfs/dbraw/zinc/14/08/09/805140809.db2.gz DWUHYVOXKUMIOE-KBPBESRZSA-N 1 1 274.412 3.059 20 30 CGEDMO N#Cc1ccc2cc(C[N@@H+]3CC[C@@H](C(F)(F)F)C3)[nH]c2c1 ZINC001249429049 805146972 /nfs/dbraw/zinc/14/69/72/805146972.db2.gz LGEYSSWZAZRVRF-GFCCVEGCSA-N 1 1 293.292 3.424 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)C(C)(C)C=C)C2)C1 ZINC001148025093 805160234 /nfs/dbraw/zinc/16/02/34/805160234.db2.gz TWQVZFUEJAJHIR-OAHLLOKOSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@H](F)CC)C2)C1 ZINC001148045657 805160334 /nfs/dbraw/zinc/16/03/34/805160334.db2.gz PCVZFHBBWUQONO-OAHLLOKOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC2(C1)CC[N@H+](CC/C=C/CC)C2 ZINC001148024374 805161084 /nfs/dbraw/zinc/16/10/84/805161084.db2.gz JZXQCIYKUJFCHJ-BQYQJAHWSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)CC(C)=C(C)C)C2)C1 ZINC001148064937 805162991 /nfs/dbraw/zinc/16/29/91/805162991.db2.gz LPXXJFJVTAIHBY-UHFFFAOYSA-N 1 1 296.842 3.020 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)CC(C)=C(C)C)C2)C1 ZINC001148064937 805162996 /nfs/dbraw/zinc/16/29/96/805162996.db2.gz LPXXJFJVTAIHBY-UHFFFAOYSA-N 1 1 296.842 3.020 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cnc(C)cc2C(F)(F)F)C1 ZINC001249515072 805163488 /nfs/dbraw/zinc/16/34/88/805163488.db2.gz KSQAYBRGAFKKCY-GFCCVEGCSA-N 1 1 282.309 3.254 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cnc(C)cc2C(F)(F)F)C1 ZINC001249515072 805163495 /nfs/dbraw/zinc/16/34/95/805163495.db2.gz KSQAYBRGAFKKCY-GFCCVEGCSA-N 1 1 282.309 3.254 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC2(C1)CC[N@@H+](CCC(=C)C)C2 ZINC001148124645 805164303 /nfs/dbraw/zinc/16/43/03/805164303.db2.gz FODRRNDXNSMOEU-MRXNPFEDSA-N 1 1 290.451 3.089 20 30 CGEDMO N#Cc1sccc1Nc1cc[nH+]cc1C(F)(F)F ZINC001249584474 805181894 /nfs/dbraw/zinc/18/18/94/805181894.db2.gz IAXIABWQWMRJEV-UHFFFAOYSA-N 1 1 269.251 3.199 20 30 CGEDMO CNc1ccc(C#N)cc1Nc1cc[nH+]cc1C(F)(F)F ZINC001249593522 805185549 /nfs/dbraw/zinc/18/55/49/805185549.db2.gz PTGLHHWVHVXQAT-UHFFFAOYSA-N 1 1 292.264 3.179 20 30 CGEDMO C=CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C)CCCCCC)C2)C1 ZINC001148477040 805186586 /nfs/dbraw/zinc/18/65/86/805186586.db2.gz FZUOTNAMXGPPJI-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO Cc1cc(Nc2cc(Cl)ccc2C#N)c[nH+]c1N ZINC001249789287 805247398 /nfs/dbraw/zinc/24/73/98/805247398.db2.gz ZMJYHDCRWJTGQU-UHFFFAOYSA-N 1 1 258.712 3.241 20 30 CGEDMO C=C(CC)C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC001150960497 805275096 /nfs/dbraw/zinc/27/50/96/805275096.db2.gz GFQDDCATOOIHSD-HOTGVXAUSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)CCC ZINC001152455177 805349832 /nfs/dbraw/zinc/34/98/32/805349832.db2.gz SJMFHNHFRUJNGE-WCQYABFASA-N 1 1 274.836 3.002 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)CCC ZINC001152455177 805349842 /nfs/dbraw/zinc/34/98/42/805349842.db2.gz SJMFHNHFRUJNGE-WCQYABFASA-N 1 1 274.836 3.002 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)CCC ZINC001152460529 805350993 /nfs/dbraw/zinc/35/09/93/805350993.db2.gz RTFQXCJZELZJCH-HUUCEWRRSA-N 1 1 268.445 3.215 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)CCCC ZINC001153103236 805383767 /nfs/dbraw/zinc/38/37/67/805383767.db2.gz XGQNVFXSVNEOAM-HUUCEWRRSA-N 1 1 268.445 3.215 20 30 CGEDMO C=CCC(CC=C)C(=O)NC[C@@H](C)[N@@H+](CC)CC[C@@H](C)F ZINC001153569987 805403280 /nfs/dbraw/zinc/40/32/80/805403280.db2.gz GOQOAEJWWLWTAH-HUUCEWRRSA-N 1 1 298.446 3.330 20 30 CGEDMO COc1cc(F)c(C)cc1C[NH+]1CCC(C)(C#N)CC1 ZINC001250113429 805424830 /nfs/dbraw/zinc/42/48/30/805424830.db2.gz MQJWNJGWXAWZSK-UHFFFAOYSA-N 1 1 276.355 3.268 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)C[C@H](F)CC ZINC001154584794 805464867 /nfs/dbraw/zinc/46/48/67/805464867.db2.gz YHGCQBGRUZYNIO-ZIAGYGMSSA-N 1 1 286.435 3.163 20 30 CGEDMO C#CCCCCCC(=O)NC[C@@H](C)[N@@H+](CC)C/C=C/Cl ZINC001154609570 805467725 /nfs/dbraw/zinc/46/77/25/805467725.db2.gz NDDNXMLNRZQYQV-HBIYDYFMSA-N 1 1 298.858 3.149 20 30 CGEDMO C=C/C(C)=C/CC(=O)NC[C@@H](C)[N@H+](CC)CC(=C)Cl ZINC001154699534 805478474 /nfs/dbraw/zinc/47/84/74/805478474.db2.gz NTGUXSPQJQAXGS-CEFACKQISA-N 1 1 284.831 3.088 20 30 CGEDMO C=C/C(C)=C/CC(=O)NC[C@@H](C)[N@@H+](CC)CC(=C)Cl ZINC001154699534 805478478 /nfs/dbraw/zinc/47/84/78/805478478.db2.gz NTGUXSPQJQAXGS-CEFACKQISA-N 1 1 284.831 3.088 20 30 CGEDMO CC#CCCCC(=O)NC[C@@H](C)[N@@H+](CC)CCCC(C)C ZINC001154747774 805482865 /nfs/dbraw/zinc/48/28/65/805482865.db2.gz WAUKZIRWIUASBO-QGZVFWFLSA-N 1 1 294.483 3.443 20 30 CGEDMO C#CCCCNc1cc(C)c2cc(OC)ccc2[nH+]1 ZINC001155014173 805522400 /nfs/dbraw/zinc/52/24/00/805522400.db2.gz PEHALBRMDGWRFB-UHFFFAOYSA-N 1 1 254.333 3.377 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H](C)[N@H+](CC)CC(=C)Cl)CCC1 ZINC001155056377 805528434 /nfs/dbraw/zinc/52/84/34/805528434.db2.gz NDFXLSSBJOOCLI-CQSZACIVSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H](C)[N@@H+](CC)CC(=C)Cl)CCC1 ZINC001155056377 805528437 /nfs/dbraw/zinc/52/84/37/805528437.db2.gz NDFXLSSBJOOCLI-CQSZACIVSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001155120599 805542196 /nfs/dbraw/zinc/54/21/96/805542196.db2.gz SDBWWUITYLIDOP-RYRKJORJSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)c1cccs1 ZINC001155199898 805555915 /nfs/dbraw/zinc/55/59/15/805555915.db2.gz LOXOIFDIMKAYSA-ZIAGYGMSSA-N 1 1 294.464 3.254 20 30 CGEDMO C=CC[C@@](C)([NH2+]C1CCC(CC)CC1)C(=O)OC ZINC001256870392 806995675 /nfs/dbraw/zinc/99/56/75/806995675.db2.gz ZHPNETHXKSOMLR-SSDMNJCBSA-N 1 1 253.386 3.053 20 30 CGEDMO COC(=O)CC1CCC([N@@H+](CCC#N)C2CCCC2)CC1 ZINC001256986147 807023811 /nfs/dbraw/zinc/02/38/11/807023811.db2.gz INBLWEFRFFJAEQ-UHFFFAOYSA-N 1 1 292.423 3.267 20 30 CGEDMO N#Cc1ccc(C2CCC(N3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC001257011655 807026899 /nfs/dbraw/zinc/02/68/99/807026899.db2.gz WTQDZPXEMLSDJM-ADKAHSJRSA-N 1 1 283.419 3.008 20 30 CGEDMO N#Cc1ccc(C2CCC([N@@H+]3CCC[C@H](N)C3)CC2)cc1 ZINC001257011655 807026908 /nfs/dbraw/zinc/02/69/08/807026908.db2.gz WTQDZPXEMLSDJM-ADKAHSJRSA-N 1 1 283.419 3.008 20 30 CGEDMO N#Cc1ccc(C2CCC([N@H+]3CCC[C@H](N)C3)CC2)cc1 ZINC001257011655 807026916 /nfs/dbraw/zinc/02/69/16/807026916.db2.gz WTQDZPXEMLSDJM-ADKAHSJRSA-N 1 1 283.419 3.008 20 30 CGEDMO C[C@@H]1CC[C@@H](O)C[N@H+]1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257017086 807027113 /nfs/dbraw/zinc/02/71/13/807027113.db2.gz NXQSOXWJMKGEOQ-YOODTLSXSA-N 1 1 298.430 3.430 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@H+]([C@@H](CC)CCC)C2)C1=O ZINC001257258621 807073509 /nfs/dbraw/zinc/07/35/09/807073509.db2.gz FAKNWXKZAVJDIR-RDJZCZTQSA-N 1 1 278.440 3.066 20 30 CGEDMO Cc1ccc(CC#N)c(N(C)CC2CCCCC2)[nH+]1 ZINC001167096818 807148805 /nfs/dbraw/zinc/14/88/05/807148805.db2.gz JIXBFTKTPSSPKP-UHFFFAOYSA-N 1 1 257.381 3.473 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1ccc(Cl)c(F)c1)C(C)C ZINC001167227486 807169652 /nfs/dbraw/zinc/16/96/52/807169652.db2.gz RDPQCVKOLPGQSM-UHFFFAOYSA-N 1 1 284.762 3.314 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1ccc(Cl)c(F)c1)C(C)C ZINC001167227486 807169655 /nfs/dbraw/zinc/16/96/55/807169655.db2.gz RDPQCVKOLPGQSM-UHFFFAOYSA-N 1 1 284.762 3.314 20 30 CGEDMO C=CC[N@@H+](CC[C@H]1C[C@H](C)C[C@H](C)C1)CC(=O)OCC ZINC001167251856 807170794 /nfs/dbraw/zinc/17/07/94/807170794.db2.gz MAZWVNGGVOHWPN-ZSHCYNCHSA-N 1 1 281.440 3.500 20 30 CGEDMO C=CC[N@H+](CC[C@H]1C[C@H](C)C[C@H](C)C1)CC(=O)OCC ZINC001167251856 807170799 /nfs/dbraw/zinc/17/07/99/807170799.db2.gz MAZWVNGGVOHWPN-ZSHCYNCHSA-N 1 1 281.440 3.500 20 30 CGEDMO C=CCOC(=O)N[C@H]1CCC[N@H+]([C@@H](C)CCCCC)C1 ZINC001257516742 807189344 /nfs/dbraw/zinc/18/93/44/807189344.db2.gz DQXBNBJAOABFNU-GJZGRUSLSA-N 1 1 282.428 3.332 20 30 CGEDMO COCC#CC[N@H+]1CCC[C@@H](C)[C@H]1c1ccc(C)cc1 ZINC001167478065 807196378 /nfs/dbraw/zinc/19/63/78/807196378.db2.gz KREITHGHCFAMMV-AEFFLSMTSA-N 1 1 271.404 3.418 20 30 CGEDMO Cc1cc[nH+]c(C)c1NCCc1ccc(C#N)cc1 ZINC001167679490 807226534 /nfs/dbraw/zinc/22/65/34/807226534.db2.gz QJLJORDRZBRKHG-UHFFFAOYSA-N 1 1 251.333 3.225 20 30 CGEDMO CCCNc1cc[nH+]c(N[C@@H](C)c2cccc(C#N)c2)n1 ZINC001167708622 807231036 /nfs/dbraw/zinc/23/10/36/807231036.db2.gz JKKWHGJSOGHKLU-LBPRGKRZSA-N 1 1 281.363 3.343 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCCNc1cc(C2(C#N)CC2)ccn1 ZINC001167750785 807239912 /nfs/dbraw/zinc/23/99/12/807239912.db2.gz CIQAWWQTEYFNLG-HNNXBMFYSA-N 1 1 298.434 3.313 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CCC(=O)[C@H](F)CC3)C[C@H](C1)C2 ZINC001257891614 807241451 /nfs/dbraw/zinc/24/14/51/807241451.db2.gz KPKZJVRLSCBELO-IZGVIRRGSA-N 1 1 265.372 3.124 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCC[C@@](O)(CF)CC3)C[C@H](C1)C2 ZINC001257891245 807241489 /nfs/dbraw/zinc/24/14/89/807241489.db2.gz GFIRXSIWNFBGGX-WFVVYAPDSA-N 1 1 281.415 3.308 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCCC[C@](O)(CF)C3)C[C@H](C1)C2 ZINC001257892406 807242122 /nfs/dbraw/zinc/24/21/22/807242122.db2.gz YCZSVSCYGYRYER-WFVVYAPDSA-N 1 1 281.415 3.308 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+](CCC(=O)OC)C3CC3)C[C@H](C1)C2 ZINC001257894403 807243441 /nfs/dbraw/zinc/24/34/41/807243441.db2.gz SPUDYIFSBJZFNN-MZBDJJRSSA-N 1 1 277.408 3.149 20 30 CGEDMO CC(C)C[C@H]1CCCC[N@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001167898658 807270089 /nfs/dbraw/zinc/27/00/89/807270089.db2.gz QMRDZBPHKINRPP-MSOLQXFVSA-N 1 1 286.419 3.492 20 30 CGEDMO N#C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1)c1ccccc1 ZINC001167958523 807285672 /nfs/dbraw/zinc/28/56/72/807285672.db2.gz GRRUQAWROFLNSH-IPQPSQTFSA-N 1 1 295.430 3.246 20 30 CGEDMO N#CC1(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCCCC1 ZINC001167965372 807288333 /nfs/dbraw/zinc/28/83/33/807288333.db2.gz CTHKOZJZIIFGNO-ALOPSCKCSA-N 1 1 287.451 3.208 20 30 CGEDMO C#CCCC[NH2+]C1C[C@@H](C)N(Cc2ccccc2)[C@H](C)C1 ZINC001168007980 807298944 /nfs/dbraw/zinc/29/89/44/807298944.db2.gz VXRGYCXLUTVGFV-IAGOWNOFSA-N 1 1 284.447 3.431 20 30 CGEDMO C=CCCCC[N@H+](C)[C@H](C)CCCC(=O)OCC ZINC001258129150 807317237 /nfs/dbraw/zinc/31/72/37/807317237.db2.gz UVQFNGFJVQJQIF-CQSZACIVSA-N 1 1 255.402 3.396 20 30 CGEDMO CCCCCCCCC[C@@H](C)[NH2+]CCCN(C)CCO ZINC001258228450 807376165 /nfs/dbraw/zinc/37/61/65/807376165.db2.gz HLDAWPPGMHIZTC-QGZVFWFLSA-N 1 1 286.504 3.419 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001168307502 807376740 /nfs/dbraw/zinc/37/67/40/807376740.db2.gz CPMFOCOXZJYLMZ-DDTOSNHZSA-N 1 1 262.303 3.206 20 30 CGEDMO C=CC[C@@](C)([NH2+][C@H](C)CC(C)(C)SC)C(=O)OC ZINC001258330905 807413588 /nfs/dbraw/zinc/41/35/88/807413588.db2.gz HAMAKQJTNOOZDZ-BXUZGUMPSA-N 1 1 273.442 3.004 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(c2ccccc2)CC1 ZINC001258514072 807482362 /nfs/dbraw/zinc/48/23/62/807482362.db2.gz ASGVUJRGOWWAAV-OHFIKTQHSA-N 1 1 295.430 3.422 20 30 CGEDMO CCCCCCC[C@H](CC(C)C)[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC001258714942 807565795 /nfs/dbraw/zinc/56/57/95/807565795.db2.gz YHPPBRQIDUWVSH-KURKYZTESA-N 1 1 299.499 3.437 20 30 CGEDMO C=CCC[C@@H](C)[NH2+][C@@H](CC1CCCCC1)C(=O)OC ZINC001258720220 807568373 /nfs/dbraw/zinc/56/83/73/807568373.db2.gz UWXVMCHUACLQMZ-HIFRSBDPSA-N 1 1 267.413 3.443 20 30 CGEDMO CC(C)C[C@@H](Cc1ccccc1)[N@H+]1CC[C@H](C#N)C1 ZINC001169084216 807569857 /nfs/dbraw/zinc/56/98/57/807569857.db2.gz HUHPCKKHJCAIQZ-SJORKVTESA-N 1 1 256.393 3.489 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](Cc1ccccc1)C[C@@H](C)C[NH3+] ZINC001258721366 807570279 /nfs/dbraw/zinc/57/02/79/807570279.db2.gz TZKNARRKLATWIZ-JKSUJKDBSA-N 1 1 260.425 3.438 20 30 CGEDMO C=CCC[C@@H](C)[NH+]1CCC(N)(c2ccc(F)cc2)CC1 ZINC001258722905 807571185 /nfs/dbraw/zinc/57/11/85/807571185.db2.gz OWELBZXVJGSVGO-CQSZACIVSA-N 1 1 276.399 3.430 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2NC(=O)OC(C)(C)C ZINC001258726016 807573665 /nfs/dbraw/zinc/57/36/65/807573665.db2.gz CUCXAHVQAPRKIY-QPSCCSFWSA-N 1 1 294.439 3.329 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]2[C@H]1CC(=O)N2c1ccsc1 ZINC001258727669 807575117 /nfs/dbraw/zinc/57/51/17/807575117.db2.gz HKIMHGZCNHGJPM-AEGPPILISA-N 1 1 290.432 3.282 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@]2(C[C@@H](CCOC)CO2)C1 ZINC001258728971 807576577 /nfs/dbraw/zinc/57/65/77/807576577.db2.gz RZJXUPIINBXDIK-BBWFWOEESA-N 1 1 281.440 3.249 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCC[C@H]1CN1CCCC1 ZINC001258731297 807577335 /nfs/dbraw/zinc/57/73/35/807577335.db2.gz WEPRSANHZZHXEV-HOTGVXAUSA-N 1 1 250.430 3.291 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCC[C@@H](C(=O)OCC)C1 ZINC001258731991 807577447 /nfs/dbraw/zinc/57/74/47/807577447.db2.gz GXQQAQDBRMLGTC-ZIAGYGMSSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CCC(=O)OC)Cc1ccccc1 ZINC001258730469 807578025 /nfs/dbraw/zinc/57/80/25/807578025.db2.gz HWGOWTHIKVIXHJ-OAHLLOKOSA-N 1 1 275.392 3.406 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C1CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC001258733232 807578844 /nfs/dbraw/zinc/57/88/44/807578844.db2.gz WUEGWAGFJOQJBV-CYBMUJFWSA-N 1 1 294.439 3.425 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](CC(=O)OCC)[C@H](C)C1 ZINC001258735936 807581785 /nfs/dbraw/zinc/58/17/85/807581785.db2.gz GGWVRPLNWKDIQF-ILXRZTDVSA-N 1 1 267.413 3.252 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](Oc2cccc(C)n2)C1 ZINC001258736190 807582054 /nfs/dbraw/zinc/58/20/54/807582054.db2.gz NZLXKXWCQOVIAW-GJZGRUSLSA-N 1 1 260.381 3.198 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCN(C(=O)c2ccccc2)C[C@H]1C ZINC001258736253 807582064 /nfs/dbraw/zinc/58/20/64/807582064.db2.gz PJDMJRDQPSLCEZ-HZPDHXFCSA-N 1 1 286.419 3.188 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC001258736280 807582222 /nfs/dbraw/zinc/58/22/22/807582222.db2.gz PURPDTHHPMZCDO-MJBXVCDLSA-N 1 1 282.428 3.329 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCOC[C@@H]1CCC(=O)OC(C)(C)C ZINC001258736309 807582451 /nfs/dbraw/zinc/58/24/51/807582451.db2.gz QSKSLAWZOMDRMU-CABCVRRESA-N 1 1 297.439 3.164 20 30 CGEDMO C=CCN(Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169147065 807593027 /nfs/dbraw/zinc/59/30/27/807593027.db2.gz SMBDFOPBVCJWTK-PIIMJCKOSA-N 1 1 270.420 3.300 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169147065 807593041 /nfs/dbraw/zinc/59/30/41/807593041.db2.gz SMBDFOPBVCJWTK-PIIMJCKOSA-N 1 1 270.420 3.300 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169147065 807593044 /nfs/dbraw/zinc/59/30/44/807593044.db2.gz SMBDFOPBVCJWTK-PIIMJCKOSA-N 1 1 270.420 3.300 20 30 CGEDMO C=C[C@@H]1C[C@@]1([NH2+][C@@H](CCC)CCCC)C(=O)OCC ZINC001258757188 807596533 /nfs/dbraw/zinc/59/65/33/807596533.db2.gz KAYXBUDRQVNJOS-YCPHGPKFSA-N 1 1 267.413 3.443 20 30 CGEDMO C=CCC[N@H+](C)Cc1cccc2c1OC(F)(F)O2 ZINC001169342291 807628678 /nfs/dbraw/zinc/62/86/78/807628678.db2.gz KECVDCRIVYWOKL-UHFFFAOYSA-N 1 1 255.264 3.016 20 30 CGEDMO C[N@H+]1CC[C@H](c2ccc(NC=CC(=O)C(F)(F)F)cc2)C1 ZINC001169481699 807649641 /nfs/dbraw/zinc/64/96/41/807649641.db2.gz SPIYRVWNYSBJJS-WMADIVHISA-N 1 1 298.308 3.163 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@@H](C)Cc1ccccc1OC ZINC001258891696 807665623 /nfs/dbraw/zinc/66/56/23/807665623.db2.gz CGRRMVXNQYMQLY-AWEZNQCLSA-N 1 1 260.381 3.252 20 30 CGEDMO C#CC[N@@H+](Cc1cccc(F)c1Cl)CC1CC1 ZINC001261235414 807718704 /nfs/dbraw/zinc/71/87/04/807718704.db2.gz RYMAFEOCAFLFRF-UHFFFAOYSA-N 1 1 251.732 3.324 20 30 CGEDMO C#CC[N@H+](Cc1cccc(F)c1Cl)CC1CC1 ZINC001261235414 807718707 /nfs/dbraw/zinc/71/87/07/807718707.db2.gz RYMAFEOCAFLFRF-UHFFFAOYSA-N 1 1 251.732 3.324 20 30 CGEDMO C=CCCCNc1cc(F)c(C[NH+](C)C)c(F)c1 ZINC001170301945 807821748 /nfs/dbraw/zinc/82/17/48/807821748.db2.gz KZIOXIYJPLWPMV-UHFFFAOYSA-N 1 1 254.324 3.405 20 30 CGEDMO C[N@@H+](C1CC1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170379363 807832211 /nfs/dbraw/zinc/83/22/11/807832211.db2.gz VNSJINVNSPIJEY-UHFFFAOYSA-N 1 1 254.377 3.485 20 30 CGEDMO N#CC1(c2ccccc2)CCC([N@H+]2C[C@@H]3C[C@@H]3C2)CC1 ZINC001170384225 807832836 /nfs/dbraw/zinc/83/28/36/807832836.db2.gz WHHQLNXWMIZIJO-BXXOZEPKSA-N 1 1 266.388 3.342 20 30 CGEDMO CC(C)C[N@H+](Cc1ccccn1)C[C@H](C)CCC#N ZINC001262375928 807862437 /nfs/dbraw/zinc/86/24/37/807862437.db2.gz ZVDTZYWNLOEIKR-OAHLLOKOSA-N 1 1 259.397 3.479 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC001262574984 807872675 /nfs/dbraw/zinc/87/26/75/807872675.db2.gz FKZXLGDHYDHZLR-OAHLLOKOSA-N 1 1 294.826 3.415 20 30 CGEDMO Cc1[nH+]c2ccccn2c1NC1=CC[C@H](C#N)CC1 ZINC001212856930 815161116 /nfs/dbraw/zinc/16/11/16/815161116.db2.gz WPHNNGDBELQBNT-LBPRGKRZSA-N 1 1 252.321 3.262 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001171228043 808013930 /nfs/dbraw/zinc/01/39/30/808013930.db2.gz DMLJAIWNZPSERG-HNNXBMFYSA-N 1 1 289.382 3.493 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[N@H+](CC[C@H](C)F)CC(C)(C)C1 ZINC001264193064 808046135 /nfs/dbraw/zinc/04/61/35/808046135.db2.gz KHMSGLAPEWXSKN-LSDHHAIUSA-N 1 1 298.446 3.308 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)CCCCC(C)C ZINC001264374722 808063843 /nfs/dbraw/zinc/06/38/43/808063843.db2.gz NCGVODVQOPPOBZ-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1cc(C)c(C)o1 ZINC001264739333 808090010 /nfs/dbraw/zinc/09/00/10/808090010.db2.gz WALFMTCQZXXXKG-HNNXBMFYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[C@@H]1C=CCC1 ZINC001264738145 808090413 /nfs/dbraw/zinc/09/04/13/808090413.db2.gz SAPNFGDXJYCMQW-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC=CCC1 ZINC001264738187 808090460 /nfs/dbraw/zinc/09/04/60/808090460.db2.gz SWDBIVCIFBQXBC-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCNC(=O)[C@H](C)C1CCCC1 ZINC001265057086 808106221 /nfs/dbraw/zinc/10/62/21/808106221.db2.gz FMNSJMZCQGVJKC-CYBMUJFWSA-N 1 1 286.847 3.003 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCNC(=O)[C@H](C)C1CCCC1 ZINC001265057086 808106226 /nfs/dbraw/zinc/10/62/26/808106226.db2.gz FMNSJMZCQGVJKC-CYBMUJFWSA-N 1 1 286.847 3.003 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)c1cccc2cc[nH]c21 ZINC001265134177 808112457 /nfs/dbraw/zinc/11/24/57/808112457.db2.gz LJOKXOJKRIPFTC-UHFFFAOYSA-N 1 1 299.418 3.186 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001265312452 808130162 /nfs/dbraw/zinc/13/01/62/808130162.db2.gz NSNCBWODUAFNOX-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C=C)CC ZINC001265411500 808141208 /nfs/dbraw/zinc/14/12/08/808141208.db2.gz MMHDNIRPOCLFBE-ZACQAIPSSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC001171840720 808148120 /nfs/dbraw/zinc/14/81/20/808148120.db2.gz GYMRNUAHIKXBDI-OAHLLOKOSA-N 1 1 270.376 3.225 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@@H](C(=O)OC(C)(C)C)C2CC2)C1 ZINC001171847813 808148935 /nfs/dbraw/zinc/14/89/35/808148935.db2.gz UCWYLAFUISFMOY-DZGCQCFKSA-N 1 1 279.424 3.395 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]2C[N@@H+](CC=C(C)C)CC[C@@H]21 ZINC001265523450 808151245 /nfs/dbraw/zinc/15/12/45/808151245.db2.gz LDNUOACHCHXLEE-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)CC(C)(C)C=C)C1 ZINC001265585016 808156765 /nfs/dbraw/zinc/15/67/65/808156765.db2.gz YOXYZJPDHMMNHD-INIZCTEOSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCC(CC=C)C(=O)NC[C@H]1CCC[N@H+](CC(=C)C)C1 ZINC001265584381 808157395 /nfs/dbraw/zinc/15/73/95/808157395.db2.gz LZPAJGYWDCHZBB-MRXNPFEDSA-N 1 1 290.451 3.159 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1CCCC[N@H+]1CC1CCC1 ZINC001265645072 808164404 /nfs/dbraw/zinc/16/44/04/808164404.db2.gz IUSPHDLJEBKISU-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C[C@H](C#N)N(C)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172086329 808170775 /nfs/dbraw/zinc/17/07/75/808170775.db2.gz FJOJSCFQHRPWDK-YSHGAJCASA-N 1 1 297.446 3.416 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)C(C)=C1CCC1 ZINC001265842934 808186654 /nfs/dbraw/zinc/18/66/54/808186654.db2.gz PPCGXIMFRUCELS-CQSZACIVSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCC[N@@H+](CC)CCCNC(=O)[C@H]1CCCC1(C)C ZINC001266073583 808208297 /nfs/dbraw/zinc/20/82/97/808208297.db2.gz LNEBTIWVVNYSKR-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@H]([N@@H+](C)CC=C(C)C)C1 ZINC001266102253 808210807 /nfs/dbraw/zinc/21/08/07/808210807.db2.gz FZJUGQUWOKDWBJ-INIZCTEOSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC1(C(=O)N2CCC[C@@H]([N@H+](C)C(C)C)C2)CCC1 ZINC001266111296 808212479 /nfs/dbraw/zinc/21/24/79/808212479.db2.gz ZFZQNVIKIWAUSE-OAHLLOKOSA-N 1 1 278.440 3.064 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC001172307021 808222079 /nfs/dbraw/zinc/22/20/79/808222079.db2.gz MDLIENPCNZCQPW-DNVCBOLYSA-N 1 1 291.398 3.374 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCc2cccc(O)c2C1 ZINC001172310610 808222854 /nfs/dbraw/zinc/22/28/54/808222854.db2.gz GVSBZGYATUZIPN-AWEZNQCLSA-N 1 1 292.382 3.253 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+](C)CC(=O)c1ccccc1 ZINC001172310368 808223236 /nfs/dbraw/zinc/22/32/36/808223236.db2.gz FHIXAYQQJVBZLY-OAHLLOKOSA-N 1 1 292.382 3.304 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)CC(=O)c1ccccc1 ZINC001172310368 808223238 /nfs/dbraw/zinc/22/32/38/808223238.db2.gz FHIXAYQQJVBZLY-OAHLLOKOSA-N 1 1 292.382 3.304 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCc2cccc(O)c2C1 ZINC001172310611 808223322 /nfs/dbraw/zinc/22/33/22/808223322.db2.gz GVSBZGYATUZIPN-CQSZACIVSA-N 1 1 292.382 3.253 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@](C)(F)C1 ZINC001172314269 808224097 /nfs/dbraw/zinc/22/40/97/808224097.db2.gz IIIGKJGCCKYNBT-XJKSGUPXSA-N 1 1 260.356 3.313 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001172314646 808225637 /nfs/dbraw/zinc/22/56/37/808225637.db2.gz LDDWODRKBBNFIB-VBNZEHGJSA-N 1 1 290.357 3.466 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)C2(C)CC2)C1 ZINC001266218142 808228179 /nfs/dbraw/zinc/22/81/79/808228179.db2.gz MDPHXRLSJIPHJY-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)C[C@H]1CC1(C)C ZINC001172319574 808229424 /nfs/dbraw/zinc/22/94/24/808229424.db2.gz OXBCVXSMCNMCJE-CZUORRHYSA-N 1 1 256.393 3.467 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CCC[N@H+](CC[C@H](C)F)C1 ZINC001266222027 808230484 /nfs/dbraw/zinc/23/04/84/808230484.db2.gz MMWNLHKCHYHGTH-HOCLYGCPSA-N 1 1 296.430 3.084 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)CC/C=C\c2ccccc2)C1 ZINC001266239782 808231629 /nfs/dbraw/zinc/23/16/29/808231629.db2.gz JFTJEDAIQLAPPO-HJLMUGLJSA-N 1 1 298.430 3.247 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)CCCCCC(C)C)C1 ZINC001266242846 808232383 /nfs/dbraw/zinc/23/23/83/808232383.db2.gz IEBLFXLVTHKJGO-MRXNPFEDSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCOC(=O)[C@@H]([NH2+][C@H](C)CCO[C@@H](C)CC)[C@@H](C)CC ZINC001172323830 808233069 /nfs/dbraw/zinc/23/30/69/808233069.db2.gz FANCVFBGWRIMOD-FZKCQIBNSA-N 1 1 299.455 3.314 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)CC2CCCC2)C1 ZINC001266298875 808238780 /nfs/dbraw/zinc/23/87/80/808238780.db2.gz JUIAQTXKQDRNQI-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO CCCCCCCCC(=O)N[C@@H]1CC[N@H+](C(C)C)C1 ZINC001266352947 808247842 /nfs/dbraw/zinc/24/78/42/808247842.db2.gz LOANTCDAISONFA-OAHLLOKOSA-N 1 1 268.445 3.336 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)CCNC(=O)c1sccc1CC ZINC001266362293 808249744 /nfs/dbraw/zinc/24/97/44/808249744.db2.gz CAZPGIQUCFQXMR-ZDUSSCGKSA-N 1 1 294.464 3.327 20 30 CGEDMO CCCCCCC[C@H](CC)[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC001172359584 808253555 /nfs/dbraw/zinc/25/35/55/808253555.db2.gz YODXHPOJDRRUED-BBWFWOEESA-N 1 1 282.472 3.140 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CCOC[C@](C)(O)C1 ZINC001172359498 808253874 /nfs/dbraw/zinc/25/38/74/808253874.db2.gz XCTYEFFAASIHTL-HZPDHXFCSA-N 1 1 271.445 3.209 20 30 CGEDMO CCCCCCC[C@H](CC)[NH2+]CCCN1CCN(C)CC1 ZINC001172361342 808257113 /nfs/dbraw/zinc/25/71/13/808257113.db2.gz MRFZRBDYNUQZHV-SFHVURJKSA-N 1 1 297.531 3.353 20 30 CGEDMO C#CC[N@@H+](CC)CCNC(=O)c1ccc(C2CCCC2)cc1 ZINC001266403439 808258067 /nfs/dbraw/zinc/25/80/67/808258067.db2.gz RVQZOUHRGNKYDB-UHFFFAOYSA-N 1 1 298.430 3.029 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)CC=C)C1 ZINC001266469464 808270241 /nfs/dbraw/zinc/27/02/41/808270241.db2.gz MHHHFQBNAPLRPY-INIZCTEOSA-N 1 1 292.467 3.335 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@@H]1CCC[N@H+]1CC=C(C)C ZINC001266477764 808273145 /nfs/dbraw/zinc/27/31/45/808273145.db2.gz VGYNLTZOBXCCLR-CVEARBPZSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CCC ZINC001266481312 808273974 /nfs/dbraw/zinc/27/39/74/808273974.db2.gz OGDAZKWUCMXGOT-HRCADAONSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H](C)CC(C)C ZINC001266488632 808275118 /nfs/dbraw/zinc/27/51/18/808275118.db2.gz MSQHZADNIADDJT-HOTGVXAUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001266517435 808280163 /nfs/dbraw/zinc/28/01/63/808280163.db2.gz JTHNSQNLYFDGOD-KRWDZBQOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)[C@H]1CCC(C)(C)C1 ZINC001266571216 808288425 /nfs/dbraw/zinc/28/84/25/808288425.db2.gz LOKQXALRGVFJDX-HNNXBMFYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1CCC[N@H+](CC2CC(C)C2)C1 ZINC001266752095 808311828 /nfs/dbraw/zinc/31/18/28/808311828.db2.gz NZRAWBJXZOAIHV-CGZBRXJRSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCCC(=O)NC[C@H]1CCC[N@H+](C[C@H](C)CC)C1 ZINC001266757559 808312444 /nfs/dbraw/zinc/31/24/44/808312444.db2.gz CHRMBIUKQZXUAZ-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)CC(C)C)C1 ZINC001266767497 808314038 /nfs/dbraw/zinc/31/40/38/808314038.db2.gz OQSYDHZDZRIZRQ-INIZCTEOSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCC[N@@H+]1C/C=C\Cl ZINC001266853647 808324893 /nfs/dbraw/zinc/32/48/93/808324893.db2.gz PYAWLLXBRYTOOZ-SLLMGYAOSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCC[N@H+]1C/C=C\Cl ZINC001266853647 808324901 /nfs/dbraw/zinc/32/49/01/808324901.db2.gz PYAWLLXBRYTOOZ-SLLMGYAOSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)c1ccsc1 ZINC001266855937 808326333 /nfs/dbraw/zinc/32/63/33/808326333.db2.gz IAVFTPPRAOZTHL-DZGCQCFKSA-N 1 1 292.448 3.008 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1CC ZINC001266894552 808331685 /nfs/dbraw/zinc/33/16/85/808331685.db2.gz ZVMQBTSULYCYEK-JKSUJKDBSA-N 1 1 292.467 3.454 20 30 CGEDMO C[C@H](CCCC#N)[NH2+]C1(c2ccccc2Cl)COC1 ZINC001172486854 808348233 /nfs/dbraw/zinc/34/82/33/808348233.db2.gz HUWSLKLSOZCHEU-GFCCVEGCSA-N 1 1 278.783 3.237 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001172500415 808354952 /nfs/dbraw/zinc/35/49/52/808354952.db2.gz NIGVNCOJPMYEOU-QAPCUYQASA-N 1 1 297.402 3.484 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CC[C@H](OCc2ccccc2)C1 ZINC001172498572 808355840 /nfs/dbraw/zinc/35/58/40/808355840.db2.gz OKXVIQPUUXZXCX-WBVHZDCISA-N 1 1 272.392 3.360 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@]2(C)C=CCC2)C1 ZINC001267109668 808359753 /nfs/dbraw/zinc/35/97/53/808359753.db2.gz XBFSFXSQQWGQCS-AEFFLSMTSA-N 1 1 290.451 3.232 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC001172504602 808359710 /nfs/dbraw/zinc/35/97/10/808359710.db2.gz HSRQZLGJIYZBGN-HUUCEWRRSA-N 1 1 257.381 3.343 20 30 CGEDMO CCCCCCCC[C@H](CC)[N@H+]1CCNC(=O)CC1 ZINC001172506046 808362901 /nfs/dbraw/zinc/36/29/01/808362901.db2.gz ZXTPMOVSLWIJQT-HNNXBMFYSA-N 1 1 268.445 3.338 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)C1(C)CC(=C)C1 ZINC001267175628 808373039 /nfs/dbraw/zinc/37/30/39/808373039.db2.gz XCZSHTPVEKCGBX-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC(=O)NCC[N@H+](CC)[C@@H](C)c1ccc(F)cc1 ZINC001267238359 808392205 /nfs/dbraw/zinc/39/22/05/808392205.db2.gz LRKLZDWFCBXTBB-AWEZNQCLSA-N 1 1 292.398 3.291 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)[C@H]1CCCC[C@@H]1C1CC1 ZINC001267246848 808394289 /nfs/dbraw/zinc/39/42/89/808394289.db2.gz PSRIHGWMGVZRDU-SJORKVTESA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)[C@@H]1C[C@H]1CC(C)(C)C)C(C)C ZINC001267257336 808397668 /nfs/dbraw/zinc/39/76/68/808397668.db2.gz ILPMOGYDBVLMOK-JKSUJKDBSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC1(C(=O)NCC[N@H+](CC)CC2CCC2)CCCC1 ZINC001267259009 808398709 /nfs/dbraw/zinc/39/87/09/808398709.db2.gz LNRIERWDAZQRQG-UHFFFAOYSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H](C)CCC ZINC001267259536 808399307 /nfs/dbraw/zinc/39/93/07/808399307.db2.gz COSNPPQEVSQBRJ-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1CCC[N@@H+]1C[C@@H](C)CC ZINC001267272113 808402716 /nfs/dbraw/zinc/40/27/16/808402716.db2.gz IRFHNUUKPZKECK-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C1CC(C)(C(=O)NCCC[N@@H+](CCC2CC2)C(C)C)C1 ZINC001267318958 808413448 /nfs/dbraw/zinc/41/34/48/808413448.db2.gz ILOVXCCWKUMSKX-UHFFFAOYSA-N 1 1 292.467 3.360 20 30 CGEDMO N#C[C@H]1CCC[N@H+]([C@@H]2Cc3ccc(Cl)cc3C2)CC1 ZINC001172721410 808419576 /nfs/dbraw/zinc/41/95/76/808419576.db2.gz DXADOFDAVGACDR-BLLLJJGKSA-N 1 1 274.795 3.433 20 30 CGEDMO C=C1CC=C(F)C=C1[NH2+][C@@H]1CCC[C@@H](C(=O)OC)CC1 ZINC001172800424 808442363 /nfs/dbraw/zinc/44/23/63/808442363.db2.gz RYFKEZROXMKOPM-TZMCWYRMSA-N 1 1 279.355 3.395 20 30 CGEDMO C=C1CC=C(F)C=C1[NH2+][C@H]1CCC[C@@H](C(=O)OC)CC1 ZINC001172800423 808442419 /nfs/dbraw/zinc/44/24/19/808442419.db2.gz RYFKEZROXMKOPM-OCCSQVGLSA-N 1 1 279.355 3.395 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001267570336 808449853 /nfs/dbraw/zinc/44/98/53/808449853.db2.gz MZHXLNZJOJURRF-RDJZCZTQSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)C(C)(C)CC)C1 ZINC001267569929 808450107 /nfs/dbraw/zinc/45/01/07/808450107.db2.gz FQVKURMWTCYJNF-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@](C)(F)CCCC)C1 ZINC001267585888 808452728 /nfs/dbraw/zinc/45/27/28/808452728.db2.gz FMLLZSRODUVSBR-NVXWUHKLSA-N 1 1 298.446 3.261 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@](C)(F)CCCC)C1 ZINC001267585890 808453774 /nfs/dbraw/zinc/45/37/74/808453774.db2.gz FMLLZSRODUVSBR-WBVHZDCISA-N 1 1 298.446 3.261 20 30 CGEDMO C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[C@H](C)C2)CC1 ZINC001267602363 808457258 /nfs/dbraw/zinc/45/72/58/808457258.db2.gz AGXNEWFEVLGXPP-DOTOQJQBSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)C2=CCCCCC2)C1 ZINC001267645637 808464608 /nfs/dbraw/zinc/46/46/08/808464608.db2.gz BVALUYVPDSOEND-INIZCTEOSA-N 1 1 290.451 3.233 20 30 CGEDMO C#CC[NH+](CC#C)[C@@H](C)CSc1ccc(Cl)cc1 ZINC001172885856 808474929 /nfs/dbraw/zinc/47/49/29/808474929.db2.gz WQEYQAAHITYKHN-ZDUSSCGKSA-N 1 1 277.820 3.389 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H](NC(=O)c2coc3ccccc23)C1 ZINC001267753568 808483741 /nfs/dbraw/zinc/48/37/41/808483741.db2.gz GRZVPBLQGCXGIA-CQSZACIVSA-N 1 1 298.386 3.203 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)F)C1 ZINC001267755823 808484740 /nfs/dbraw/zinc/48/47/40/808484740.db2.gz RSWAQRHHZXMJPQ-AWEZNQCLSA-N 1 1 286.435 3.238 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)C[C@H]2C=CCC2)C1 ZINC001267780310 808489648 /nfs/dbraw/zinc/48/96/48/808489648.db2.gz LQDLZQVKKFJJBE-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCCC(=O)N(CC)[C@H]1CC[N@H+](C[C@@H](C)CC)C1 ZINC001267788683 808492417 /nfs/dbraw/zinc/49/24/17/808492417.db2.gz CGXDWHNNGQUBQL-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H](C=C)c2ccccc2)C1 ZINC001267794379 808495517 /nfs/dbraw/zinc/49/55/17/808495517.db2.gz NVBRRRXRPBNRDP-MSOLQXFVSA-N 1 1 298.430 3.065 20 30 CGEDMO CCC[N@@H+](CC)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172981582 808497316 /nfs/dbraw/zinc/49/73/16/808497316.db2.gz XCEHEVKMAYRWMS-KGLIPLIRSA-N 1 1 295.427 3.010 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](C2CCC3(CCOCC3)CC2)CC1 ZINC001173047756 808499583 /nfs/dbraw/zinc/49/95/83/808499583.db2.gz FEHSLJZPBWJTMY-OAHLLOKOSA-N 1 1 276.424 3.351 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCC2(CCOCC2)CC1 ZINC001173047679 808499768 /nfs/dbraw/zinc/49/97/68/808499768.db2.gz CMCGUAJWNKEFOU-XGBSXSJOSA-N 1 1 288.435 3.492 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H](NC(=O)C23CCC(CC2)C3)C1 ZINC001267942703 808518670 /nfs/dbraw/zinc/51/86/70/808518670.db2.gz KBKHNJPZLBAQKA-UPTPFMHGSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@H+]([C@@H]1COc2cccc(OC)c2C1)C(C)(C)C ZINC001173167590 808529549 /nfs/dbraw/zinc/52/95/49/808529549.db2.gz HLYGRNXAQIHDNM-ZDUSSCGKSA-N 1 1 275.392 3.285 20 30 CGEDMO C[N@@H+](CCC#N)C1CCC(Oc2ccccc2)CC1 ZINC001173202151 808536729 /nfs/dbraw/zinc/53/67/29/808536729.db2.gz NPPJPQBMHKQHAW-UHFFFAOYSA-N 1 1 258.365 3.222 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001268112303 808543910 /nfs/dbraw/zinc/54/39/10/808543910.db2.gz MSOADWBSPOFKMR-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC(CC[N@@H+](C)CC)CC1 ZINC001268200242 808554869 /nfs/dbraw/zinc/55/48/69/808554869.db2.gz SGSMOMLOKYEMNI-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)c1cc(C)cs1 ZINC001268236361 808565888 /nfs/dbraw/zinc/56/58/88/808565888.db2.gz WWJOLSWHERYRBI-UHFFFAOYSA-N 1 1 280.437 3.027 20 30 CGEDMO C=CC(C)(C)C(=O)N(C)CC[N@@H+](C)CCC(C)(C)C ZINC001268246242 808567893 /nfs/dbraw/zinc/56/78/93/808567893.db2.gz WUGBXWXLQDBYFO-UHFFFAOYSA-N 1 1 268.445 3.025 20 30 CGEDMO C=CCOC1CCC([N@H+]2CCCC[C@@H](F)C2)CC1 ZINC001173321312 808611168 /nfs/dbraw/zinc/61/11/68/808611168.db2.gz IKEWWBVZLSDLRQ-WLYUNCDWSA-N 1 1 255.377 3.324 20 30 CGEDMO C=CCOC1CCC([N@H+]2CC[C@H](COCC3CC3)C2)CC1 ZINC001173326533 808612382 /nfs/dbraw/zinc/61/23/82/808612382.db2.gz JMNZYBBCSAYCTB-AOCRQIFASA-N 1 1 293.451 3.249 20 30 CGEDMO Cc1nc([C@@H]2CCC[N@H+](C3CCC(CC#N)CC3)C2)no1 ZINC001173332342 808616099 /nfs/dbraw/zinc/61/60/99/808616099.db2.gz ZMWNMLTXKUEURU-SHARSMKWSA-N 1 1 288.395 3.030 20 30 CGEDMO CC(C)c1nc(CC[N@@H+](C)C2CCC(CC#N)CC2)no1 ZINC001173331518 808616286 /nfs/dbraw/zinc/61/62/86/808616286.db2.gz PFSRKRRYHPHSHY-UHFFFAOYSA-N 1 1 290.411 3.140 20 30 CGEDMO CN1CC[N@H+](C2CCC(CC#N)CC2)C[C@H]1c1ccccc1 ZINC001173335490 808617403 /nfs/dbraw/zinc/61/74/03/808617403.db2.gz OEKIRSGRIAXIFT-KVZIAJEVSA-N 1 1 297.446 3.448 20 30 CGEDMO C=CC[N@H+](C)C[C@H](C)NC(=O)C1CC(C)(C)CC(C)(C)C1 ZINC001268740540 808620646 /nfs/dbraw/zinc/62/06/46/808620646.db2.gz ULWDTUGWYXSIRM-AWEZNQCLSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(-c2ccccc2)o1 ZINC001268747259 808621866 /nfs/dbraw/zinc/62/18/66/808621866.db2.gz WMQSCFMWAGZUIC-CQSZACIVSA-N 1 1 298.386 3.183 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)C1(C)CCC(C)CC1 ZINC001268758035 808625373 /nfs/dbraw/zinc/62/53/73/808625373.db2.gz ATYOXBQMWVAPMV-CKDBGZEDSA-N 1 1 280.456 3.215 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CCCN(c3ccccn3)CC2)CC1 ZINC001173592187 808648586 /nfs/dbraw/zinc/64/85/86/808648586.db2.gz JMVXICZJCKFCDD-UHFFFAOYSA-N 1 1 298.434 3.066 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CC[C@@]3(C2)CCCCO3)CC1 ZINC001173592810 808648783 /nfs/dbraw/zinc/64/87/83/808648783.db2.gz BEMKFAHGCQXOHE-UYSNPLJNSA-N 1 1 262.397 3.104 20 30 CGEDMO CC[NH+](CC)C1CCN(C2CCC(C)(C#N)CC2)CC1 ZINC001173596266 808649670 /nfs/dbraw/zinc/64/96/70/808649670.db2.gz PNUCWTMBDGYDRA-UHFFFAOYSA-N 1 1 277.456 3.265 20 30 CGEDMO CCOC(=O)C[C@@H]1CCC[N@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173594066 808650004 /nfs/dbraw/zinc/65/00/04/808650004.db2.gz QNFPSCGQBBRGBK-UQPPLGOBSA-N 1 1 292.423 3.124 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001269134299 808650267 /nfs/dbraw/zinc/65/02/67/808650267.db2.gz KVEMVOGOUZLSFR-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CCC(F)(F)[C@H](F)C2)CC1 ZINC001173593150 808650265 /nfs/dbraw/zinc/65/02/65/808650265.db2.gz DWLKCMCIDSEHPP-MOENNCHZSA-N 1 1 260.303 3.138 20 30 CGEDMO C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCC(C)(C#N)CC1 ZINC001173599105 808650920 /nfs/dbraw/zinc/65/09/20/808650920.db2.gz ZLQKKWSCUQFTLN-UHFFFAOYSA-N 1 1 286.375 3.320 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CCC[C@@H](C(F)F)C2)CC1 ZINC001173599475 808651059 /nfs/dbraw/zinc/65/10/59/808651059.db2.gz MEZFLRVEQDXDJQ-LKSINWNRSA-N 1 1 256.340 3.436 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C=C)C1 ZINC001269156107 808651987 /nfs/dbraw/zinc/65/19/87/808651987.db2.gz MZOKTMPKRDHABS-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)C2(C)CCC(C)CC2)C1 ZINC001269203596 808654533 /nfs/dbraw/zinc/65/45/33/808654533.db2.gz WIGFXSWNJYDQTN-UPTPFMHGSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)CCC(=C)C)C1 ZINC001269245587 808659325 /nfs/dbraw/zinc/65/93/25/808659325.db2.gz JOVMADBJGQGLCK-HOTGVXAUSA-N 1 1 278.440 3.230 20 30 CGEDMO CC#CCCCC(=O)NC[C@@H]1CC[N@H+]1C[C@H](C)CC(C)C ZINC001269278368 808663162 /nfs/dbraw/zinc/66/31/62/808663162.db2.gz HTMXMZAJYMKHEY-SJORKVTESA-N 1 1 292.467 3.053 20 30 CGEDMO CC#CC[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)CC(C)(C)C)C1 ZINC001269297136 808664943 /nfs/dbraw/zinc/66/49/43/808664943.db2.gz VETDSXVDQNLZOR-OAHLLOKOSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CC(C)(C)CC(=O)N(CC)[C@@H]1CC[N@@H+](CC(=C)C)C1 ZINC001269333529 808671096 /nfs/dbraw/zinc/67/10/96/808671096.db2.gz XWNFQEASYSOODB-OAHLLOKOSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)/C=C(/C)CC)C1 ZINC001270584647 808738420 /nfs/dbraw/zinc/73/84/20/808738420.db2.gz UXCNNIKYDYABGG-KTWGLELUSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)CCCC(C)C)C1 ZINC001270632780 808739546 /nfs/dbraw/zinc/73/95/46/808739546.db2.gz MFRUMBODGWUVJQ-QGZVFWFLSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCC1CCN(C(=O)C=C(C)C)CC1 ZINC001271758682 808782172 /nfs/dbraw/zinc/78/21/72/808782172.db2.gz DEZPCLPFLXIJOF-UHFFFAOYSA-N 1 1 298.858 3.266 20 30 CGEDMO C=CC[N@@H+](C)CCC1CCN(C(=O)C2(C)CC=CC2)CC1 ZINC001271783380 808783892 /nfs/dbraw/zinc/78/38/92/808783892.db2.gz CMXNQXFABIEEQX-UHFFFAOYSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)C1C(C)(C)C1(C)C ZINC001271984320 808792358 /nfs/dbraw/zinc/79/23/58/808792358.db2.gz FNWNUVGAHIFICA-CQSZACIVSA-N 1 1 294.483 3.414 20 30 CGEDMO C=CC(C)(C)CC(=O)N(C)CC[N@@H+](C)CC1CCCC1 ZINC001272028238 808793540 /nfs/dbraw/zinc/79/35/40/808793540.db2.gz TWZFAGWXHHQBBD-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC(C)C)CC[C@@H]21 ZINC001272197414 808800457 /nfs/dbraw/zinc/80/04/57/808800457.db2.gz UBGPLDGXPNHIPF-CABCVRRESA-N 1 1 298.858 3.098 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@H+](C[C@H](C)CCC)CC2)C1=O ZINC001272432927 808809604 /nfs/dbraw/zinc/80/96/04/808809604.db2.gz SRAUNMWLLRLPIC-SJLPKXTDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCN1CC[C@@]2(CCC[N@@H+]2CCCCCCC)C1=O ZINC001272476946 808811817 /nfs/dbraw/zinc/81/18/17/808811817.db2.gz UKJPJYBJKDJDEZ-KRWDZBQOSA-N 1 1 278.440 3.210 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(CC)cc2)C1=O ZINC001272972894 808829497 /nfs/dbraw/zinc/82/94/97/808829497.db2.gz ZZEOBCSQTLBMIE-LJQANCHMSA-N 1 1 298.430 3.002 20 30 CGEDMO N#Cc1cccc2c1c(N)nn2-c1cc[nH+]c2ccccc21 ZINC001174039355 808838348 /nfs/dbraw/zinc/83/83/48/808838348.db2.gz QEABOVKWMSLEDG-UHFFFAOYSA-N 1 1 285.310 3.028 20 30 CGEDMO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2CCCC(C)C ZINC001273423795 808845865 /nfs/dbraw/zinc/84/58/65/808845865.db2.gz KJZNEFYCLSBWEO-GOSISDBHSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@]2(CCN(CC(C)C)C2=O)CC1 ZINC001273493329 808848942 /nfs/dbraw/zinc/84/89/42/808848942.db2.gz WZUQVIGKSHUWTA-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001273534708 808852283 /nfs/dbraw/zinc/85/22/83/808852283.db2.gz HFPFQFQESMTFFT-HZPDHXFCSA-N 1 1 294.483 3.415 20 30 CGEDMO C#CCC[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[C@@H]1CCC ZINC001273530573 808852665 /nfs/dbraw/zinc/85/26/65/808852665.db2.gz RRFBRBGVPONAAC-IRXDYDNUSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H](CCC)C(C)C)C(C)(C)C1 ZINC001274454591 808876378 /nfs/dbraw/zinc/87/63/78/808876378.db2.gz PCVPTRUEKASQJX-HZPDHXFCSA-N 1 1 294.483 3.461 20 30 CGEDMO C#CCCCCC(=O)N[C@H]1CC[N@H+](CCCCC)[C@H](C)C1 ZINC001274611894 808878958 /nfs/dbraw/zinc/87/89/58/808878958.db2.gz MQQKJNPMGUBJHF-SJORKVTESA-N 1 1 292.467 3.339 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)/C(C)=C/CC ZINC001275094727 808907384 /nfs/dbraw/zinc/90/73/84/808907384.db2.gz SJLXDHZFNJWDTF-WPBGYSLVSA-N 1 1 278.440 3.232 20 30 CGEDMO Cc1oc(Nc2ccc3[nH+]ccn3c2)c(C#N)c1C ZINC001174277502 808923975 /nfs/dbraw/zinc/92/39/75/808923975.db2.gz WSWXRHNSLSAIEW-UHFFFAOYSA-N 1 1 252.277 3.159 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)c1[nH]c(C)cc1C ZINC001275592823 808949914 /nfs/dbraw/zinc/94/99/14/808949914.db2.gz SJZNYFRRQDPUDS-HUUCEWRRSA-N 1 1 291.439 3.036 20 30 CGEDMO Cc1ccc(CN2CCC3(CCC[N@@H+](C)C3)CC2)c(C#N)c1 ZINC001275616915 808951626 /nfs/dbraw/zinc/95/16/26/808951626.db2.gz PACRWUXSKLYMSQ-UHFFFAOYSA-N 1 1 297.446 3.175 20 30 CGEDMO Cc1ccc(CN2CCC3(CCC[N@H+](C)C3)CC2)c(C#N)c1 ZINC001275616915 808951630 /nfs/dbraw/zinc/95/16/30/808951630.db2.gz PACRWUXSKLYMSQ-UHFFFAOYSA-N 1 1 297.446 3.175 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccoc1C1CC1 ZINC001275631183 808952783 /nfs/dbraw/zinc/95/27/83/808952783.db2.gz YRNRMGMIOUYGQC-ZDUSSCGKSA-N 1 1 290.407 3.173 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)C1(C)CCC(C)CC1 ZINC001275729061 808959967 /nfs/dbraw/zinc/95/99/67/808959967.db2.gz JQFJOWSRTNGYMC-CKDBGZEDSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)c1ccc(F)c(C)c1 ZINC001275912910 808975641 /nfs/dbraw/zinc/97/56/41/808975641.db2.gz ONDDIMSJYGMJBP-AWEZNQCLSA-N 1 1 292.398 3.150 20 30 CGEDMO C#CCCCN1CC2(CC[N@@H+]2C[C@H](CC)CCCC)C1 ZINC001275975385 808980563 /nfs/dbraw/zinc/98/05/63/808980563.db2.gz ASWYCZCQFYOPCJ-QGZVFWFLSA-N 1 1 276.468 3.376 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)c1cccc(C(F)F)c1 ZINC001275977062 808980577 /nfs/dbraw/zinc/98/05/77/808980577.db2.gz MFRRTYPTHLEXCS-LBPRGKRZSA-N 1 1 296.361 3.250 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)CNC(=O)c1ccc(C(C)(C)C)s1 ZINC001276003875 808982947 /nfs/dbraw/zinc/98/29/47/808982947.db2.gz VDFQPLSWXSVNEG-GFCCVEGCSA-N 1 1 294.464 3.282 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)C1(C)C(C)(C)C1(C)C ZINC001276021030 808984815 /nfs/dbraw/zinc/98/48/15/808984815.db2.gz HMBVPOYWCXJEGW-CQSZACIVSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](C)C1CCC1 ZINC001276311593 809001977 /nfs/dbraw/zinc/00/19/77/809001977.db2.gz MVIPBVKMVOBMFL-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C#Cc1cccc(Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC001174446313 809017758 /nfs/dbraw/zinc/01/77/58/809017758.db2.gz JRUNEOOTFJPAQM-UHFFFAOYSA-N 1 1 292.382 3.244 20 30 CGEDMO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)CCCC)C[C@@]2(C)C1 ZINC001276902571 809041278 /nfs/dbraw/zinc/04/12/78/809041278.db2.gz YQAHUYAWNNXECU-RYQLBKOJSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)C1(C)CCC(C)CC1 ZINC001276976385 809052078 /nfs/dbraw/zinc/05/20/78/809052078.db2.gz BQVBLFNRRDDBHP-UPTPFMHGSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC(C)C ZINC001277332623 809070014 /nfs/dbraw/zinc/07/00/14/809070014.db2.gz IWNAAIOGHSBREX-SJORKVTESA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@@H+](CC1CC1)C1CCN(C(=O)CC(C)C)CC1 ZINC001277382980 809073012 /nfs/dbraw/zinc/07/30/12/809073012.db2.gz VFKVWDCQQPFTEZ-UHFFFAOYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(C=C)cc2)C1 ZINC001278426903 809131920 /nfs/dbraw/zinc/13/19/20/809131920.db2.gz LPGWYLXTDSBBAV-LJQANCHMSA-N 1 1 298.430 3.490 20 30 CGEDMO C#CCCCC(=O)N[C@H]1CCC[N@H+](CCCC(C)C)[C@@H]1C ZINC001278506426 809139197 /nfs/dbraw/zinc/13/91/97/809139197.db2.gz QMMOCQJVUACBIV-SJORKVTESA-N 1 1 292.467 3.195 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@H](CCc1ccccc1)C(=O)OCC ZINC001174742702 809150077 /nfs/dbraw/zinc/15/00/77/809150077.db2.gz QTTPKERENDXQJO-MRXNPFEDSA-N 1 1 275.392 3.059 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](CCc1ccccc1)C(=O)OCC ZINC001174742702 809150079 /nfs/dbraw/zinc/15/00/79/809150079.db2.gz QTTPKERENDXQJO-MRXNPFEDSA-N 1 1 275.392 3.059 20 30 CGEDMO CC#CC[N@@H+](C)CCN(C(=O)C[C@@H]1CCC[C@@H]1C)C(C)C ZINC001278907347 809154907 /nfs/dbraw/zinc/15/49/07/809154907.db2.gz BZAIBDDPKOJZPX-IRXDYDNUSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C(C)C)C2 ZINC001278947721 809157424 /nfs/dbraw/zinc/15/74/24/809157424.db2.gz KXZKIQRLCQOTRJ-UAGQMJEPSA-N 1 1 290.451 3.132 20 30 CGEDMO C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(CC)CC)C2 ZINC001279212698 809167736 /nfs/dbraw/zinc/16/77/36/809167736.db2.gz FGFYRNHZXOMKTA-ACHSLPGTSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCC(=O)N1C[C@@H]2C[N@@H+](C[C@@H](C)CC(C)C)C[C@@H]2C1 ZINC001279347866 809170789 /nfs/dbraw/zinc/17/07/89/809170789.db2.gz VRGNZOFVSHPNQI-YESZJQIVSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC=C(CNC(=O)CC2CCC2)CC1 ZINC001279528150 809173054 /nfs/dbraw/zinc/17/30/54/809173054.db2.gz QUESGMVUPIHPAQ-OAHLLOKOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)/C(C)=C/CC ZINC001279542170 809174720 /nfs/dbraw/zinc/17/47/20/809174720.db2.gz MNEPVPIEAFBKSX-QQMNEEJDSA-N 1 1 296.842 3.161 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)/C(C)=C/CC ZINC001279542170 809174722 /nfs/dbraw/zinc/17/47/22/809174722.db2.gz MNEPVPIEAFBKSX-QQMNEEJDSA-N 1 1 296.842 3.161 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCCF ZINC001279585465 809176183 /nfs/dbraw/zinc/17/61/83/809176183.db2.gz BQYHMRIWMJAEGE-HUUCEWRRSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)CCC ZINC001280315935 809184790 /nfs/dbraw/zinc/18/47/90/809184790.db2.gz UIRSSJLOOIKJAO-UHFFFAOYSA-N 1 1 274.408 3.111 20 30 CGEDMO Nc1ccccc1C(NO)=[NH+]c1ccc2ccccc2c1 ZINC001174875679 809185916 /nfs/dbraw/zinc/18/59/16/809185916.db2.gz NZNCIXXIUXGROP-UHFFFAOYSA-N 1 1 277.327 3.479 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001174914624 809198402 /nfs/dbraw/zinc/19/84/02/809198402.db2.gz DBOUPOQGKHCDBB-YOEHRIQHSA-N 1 1 294.439 3.332 20 30 CGEDMO CC#CC[N@@H+](C)CCCN(C)C(=O)C[C@@H](C)CC(C)(C)C ZINC001280866224 809202730 /nfs/dbraw/zinc/20/27/30/809202730.db2.gz VRDNYMMQUNRUFW-MRXNPFEDSA-N 1 1 294.483 3.252 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](CC2CCC2)[C@@H](C)C1 ZINC001281666240 809216318 /nfs/dbraw/zinc/21/63/18/809216318.db2.gz WSDIZHORSXWMPG-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CCCC2CC2)C[C@H]1C ZINC001281673580 809217779 /nfs/dbraw/zinc/21/77/79/809217779.db2.gz DSTGSRGAGAROBL-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC12CCC2 ZINC001281956205 809225259 /nfs/dbraw/zinc/22/52/59/809225259.db2.gz WVJALMQYIXCUHB-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CC(C)C1 ZINC001281956871 809227065 /nfs/dbraw/zinc/22/70/65/809227065.db2.gz MZRRCMFAWLGCBT-OFLPRAFFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)CNC(=O)C/C=C\c1ccc(C)cc1 ZINC001282504365 809253080 /nfs/dbraw/zinc/25/30/80/809253080.db2.gz OIYHIYOAYBYMOW-MWWKQMNYSA-N 1 1 286.419 3.021 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1CCCCC[N@H+]1CCCF ZINC001282665727 809258104 /nfs/dbraw/zinc/25/81/04/809258104.db2.gz NYSGAFRCTNHMPN-OAHLLOKOSA-N 1 1 298.446 3.309 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C/C=C(\C)C=C ZINC001282677042 809259922 /nfs/dbraw/zinc/25/99/22/809259922.db2.gz XNCUNLABSXDURY-AAGJOFLKSA-N 1 1 276.424 3.056 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)CC(C)C)C(C)(C)C1 ZINC001282833388 809264610 /nfs/dbraw/zinc/26/46/10/809264610.db2.gz NPRSBEJNXXRUJB-HUUCEWRRSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)CC(C)C)C(C)(C)C1 ZINC001282833389 809265062 /nfs/dbraw/zinc/26/50/62/809265062.db2.gz NPRSBEJNXXRUJB-LSDHHAIUSA-N 1 1 280.456 3.071 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](CCCC)CC1(C)C ZINC001282823075 809265482 /nfs/dbraw/zinc/26/54/82/809265482.db2.gz OTVMMQXAJSLZHF-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@]12CCC[C@H]1[N@@H+](CC(=C)C)CC2 ZINC001284066492 809295591 /nfs/dbraw/zinc/29/55/91/809295591.db2.gz HAIGBOHEPYZVHB-JFIYKMOQSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)[C@H]1CC[C@@H](C)C1)C(C)C ZINC001284544805 809308110 /nfs/dbraw/zinc/30/81/10/809308110.db2.gz PKKAXGXFDOMZPK-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO C[N@H+]1CCC=C(Nc2cccc3c(C#N)cccc23)C1 ZINC001175580662 809461874 /nfs/dbraw/zinc/46/18/74/809461874.db2.gz PBQITQCAKWQZDA-UHFFFAOYSA-N 1 1 263.344 3.343 20 30 CGEDMO C#Cc1cccc(Nc2ccc3c(c2)C[N@@H+](C)CC3)c1 ZINC001175979049 809590309 /nfs/dbraw/zinc/59/03/09/809590309.db2.gz ZZDFTMWJLLKIEV-UHFFFAOYSA-N 1 1 262.356 3.399 20 30 CGEDMO CCCCCCCCC[N@H+]1CCOC[C@@H]1COC ZINC001176390916 809683894 /nfs/dbraw/zinc/68/38/94/809683894.db2.gz NKWCLSURHFAQDR-HNNXBMFYSA-N 1 1 257.418 3.084 20 30 CGEDMO CCCCCCC[N@@H+]1CC(=O)NC[C@@H]1c1ccccc1 ZINC001176390096 809684250 /nfs/dbraw/zinc/68/42/50/809684250.db2.gz GNAHAHWGHCZLCY-MRXNPFEDSA-N 1 1 274.408 3.130 20 30 CGEDMO CCCCCCC[N@H+]1CC(=O)NC[C@@H]1c1ccccc1 ZINC001176390096 809684252 /nfs/dbraw/zinc/68/42/52/809684252.db2.gz GNAHAHWGHCZLCY-MRXNPFEDSA-N 1 1 274.408 3.130 20 30 CGEDMO CCc1cc(NC(=O)[C@H]2CCCC[N@@H+]2C)cc(CC)c1C#N ZINC001178697403 809883914 /nfs/dbraw/zinc/88/39/14/809883914.db2.gz WPADFPUBYQVDSP-QGZVFWFLSA-N 1 1 299.418 3.106 20 30 CGEDMO CCc1cc(NC(=O)[C@H]2CCCC[N@H+]2C)cc(CC)c1C#N ZINC001178697403 809883918 /nfs/dbraw/zinc/88/39/18/809883918.db2.gz WPADFPUBYQVDSP-QGZVFWFLSA-N 1 1 299.418 3.106 20 30 CGEDMO N#Cc1ccc(OC2C[NH+](CCc3ccc(F)cc3)C2)cc1 ZINC001182214892 810098392 /nfs/dbraw/zinc/09/83/92/810098392.db2.gz ANVWRLZFRCWCRW-UHFFFAOYSA-N 1 1 296.345 3.003 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](C[C@@H]2CCc3ccccc32)C1 ZINC001182546016 810114376 /nfs/dbraw/zinc/11/43/76/810114376.db2.gz YTWIVWKDTQPCRU-RDJZCZTQSA-N 1 1 253.389 3.452 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](CC2CCC(OC)CC2)C1 ZINC001182795583 810125255 /nfs/dbraw/zinc/12/52/55/810125255.db2.gz GPSGTQFVVZLDSH-FHERZECASA-N 1 1 251.414 3.480 20 30 CGEDMO C#CCC[N@H+](CCOC)C[C@@H]1CCCC(C)(C)C1 ZINC001183053196 810135316 /nfs/dbraw/zinc/13/53/16/810135316.db2.gz JPQLLFQSQGBERT-OAHLLOKOSA-N 1 1 251.414 3.175 20 30 CGEDMO CC(C)(C)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)CCO1 ZINC001184374338 810196673 /nfs/dbraw/zinc/19/66/73/810196673.db2.gz MQLPACAMBHYSKI-MRXNPFEDSA-N 1 1 290.382 3.334 20 30 CGEDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)CCO1 ZINC001184374338 810196676 /nfs/dbraw/zinc/19/66/76/810196676.db2.gz MQLPACAMBHYSKI-MRXNPFEDSA-N 1 1 290.382 3.334 20 30 CGEDMO CCCCCCCCS(=O)(=O)Nc1cc[nH+]c(CC)c1 ZINC001187994962 810439787 /nfs/dbraw/zinc/43/97/87/810439787.db2.gz WCDPICIEKXSVPW-UHFFFAOYSA-N 1 1 298.452 3.168 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]2C[N@H+](CCCCC)C[C@H]21 ZINC001188087741 810452836 /nfs/dbraw/zinc/45/28/36/810452836.db2.gz ZHISGILRFFKFSJ-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)CC2CCCC2)C1 ZINC001188700844 810504891 /nfs/dbraw/zinc/50/48/91/810504891.db2.gz HMBULNLHSIVVBD-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)CCCCC)C1 ZINC001188913935 810523401 /nfs/dbraw/zinc/52/34/01/810523401.db2.gz CKRPGGXNNHUHSN-HNNXBMFYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)CCCC)C1 ZINC001189011336 810534252 /nfs/dbraw/zinc/53/42/52/810534252.db2.gz DOTPHPIBLLJLGI-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)CCC)C1 ZINC001189288796 810555381 /nfs/dbraw/zinc/55/53/81/810555381.db2.gz KKRQFTIKALEVJL-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)CC[C@H](C)CC)[C@@H]2C1 ZINC001189507029 810573988 /nfs/dbraw/zinc/57/39/88/810573988.db2.gz QUQRGXLMADPOBN-IXDOHACOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C(C)=C2CCCC2)C1 ZINC001189611967 810582275 /nfs/dbraw/zinc/58/22/75/810582275.db2.gz YWCGUIFPAMVHJM-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)c2coc(C)c2)C1 ZINC001189816990 810590980 /nfs/dbraw/zinc/59/09/80/810590980.db2.gz CIMCLDMIQBHGJF-CJNGLKHVSA-N 1 1 290.407 3.089 20 30 CGEDMO C#CCCCC(=O)N1CC[C@@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001189910499 810594890 /nfs/dbraw/zinc/59/48/90/810594890.db2.gz PLMIFPMAIGRODC-MRXNPFEDSA-N 1 1 292.467 3.149 20 30 CGEDMO C#CCCCC(=O)N1CC[C@@H]([N@@H+](C)CCCCCC=C)C1 ZINC001189910742 810595402 /nfs/dbraw/zinc/59/54/02/810595402.db2.gz RVGVYXBKWMARCF-QGZVFWFLSA-N 1 1 290.451 3.069 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)CCCC)C1 ZINC001189974281 810599118 /nfs/dbraw/zinc/59/91/18/810599118.db2.gz VNOQHXKVFYSSLY-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[C@H]([N@H+](C)C[C@@H](F)CC)C1 ZINC001190354820 810621435 /nfs/dbraw/zinc/62/14/35/810621435.db2.gz QQTVIDWNPBBOMA-HOTGVXAUSA-N 1 1 296.430 3.036 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)C(C)C)C1 ZINC001190344935 810622033 /nfs/dbraw/zinc/62/20/33/810622033.db2.gz NANNJTWXOJABGH-OAHLLOKOSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[C@H]([N@H+](C)CCCC)C1 ZINC001190354016 810622221 /nfs/dbraw/zinc/62/22/21/810622221.db2.gz GAYVJPXOFQGFFC-INIZCTEOSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[C@H]([N@H+](C)CC[C@H](C)F)C1 ZINC001190354825 810622982 /nfs/dbraw/zinc/62/29/82/810622982.db2.gz QRTQFNQNPVNHDV-HOCLYGCPSA-N 1 1 296.430 3.036 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[C@@H]([N@@H+](C)CC2CCC2)C1 ZINC001190355078 810623938 /nfs/dbraw/zinc/62/39/38/810623938.db2.gz SCWWPOSJSAQPHN-QGZVFWFLSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)c2sc(C)cc2C)C1 ZINC001190380114 810624993 /nfs/dbraw/zinc/62/49/93/810624993.db2.gz KBYCOPWLIRUMDQ-CQSZACIVSA-N 1 1 292.448 3.087 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@@H]([N@H+](C)CC2CC(C)C2)C1 ZINC001190398477 810625777 /nfs/dbraw/zinc/62/57/77/810625777.db2.gz WEWXROFRXBVMRG-UYSNPLJNSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@H+](CC[C@H](O)C(C)C)Cc1ccc(OC)cc1 ZINC001190457448 810628309 /nfs/dbraw/zinc/62/83/09/810628309.db2.gz LZOWJOWFOYLFGB-KRWDZBQOSA-N 1 1 277.408 3.090 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]([N@H+](C)CCCCC)C1 ZINC001190436074 810628328 /nfs/dbraw/zinc/62/83/28/810628328.db2.gz PUFIGMKCWUQUKR-HNNXBMFYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)C(C)(C)C)C1 ZINC001190932677 810657357 /nfs/dbraw/zinc/65/73/57/810657357.db2.gz AXNOGFHRPNKVRI-GJZGRUSLSA-N 1 1 280.456 3.168 20 30 CGEDMO CCCCCCCCNC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC001191064383 810669637 /nfs/dbraw/zinc/66/96/37/810669637.db2.gz XIWDEIUIGMXGPC-GASCZTMLSA-N 1 1 283.460 3.081 20 30 CGEDMO CCCCCCCNC(=O)N1CC[C@H]([N@@H+](C)C(C)C)C1 ZINC001191100975 810675149 /nfs/dbraw/zinc/67/51/49/810675149.db2.gz GIRMTCNQBSIRDX-HNNXBMFYSA-N 1 1 283.460 3.081 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CC[C@](C)(CCc2ccccc2)C1 ZINC001191444142 810714563 /nfs/dbraw/zinc/71/45/63/810714563.db2.gz IQKNOLKRNPSDED-ROUUACIJSA-N 1 1 273.420 3.268 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C2(C)CCCC2)C1 ZINC001191609149 810727897 /nfs/dbraw/zinc/72/78/97/810727897.db2.gz UXQWVLSAWRTSMP-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)C=C)C1 ZINC001191720006 810733223 /nfs/dbraw/zinc/73/32/23/810733223.db2.gz PQORLBNAOXFOLT-HUUCEWRRSA-N 1 1 278.440 3.086 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C2(CC)CCC2)C1 ZINC001191819417 810746157 /nfs/dbraw/zinc/74/61/57/810746157.db2.gz NDXIQFCSYAZBPX-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](F)C(C)C)C1 ZINC001191819561 810746236 /nfs/dbraw/zinc/74/62/36/810746236.db2.gz QCUXGVBRQVRGST-CVEARBPZSA-N 1 1 298.446 3.260 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)c2cc(C)co2)C1 ZINC001191838319 810749756 /nfs/dbraw/zinc/74/97/56/810749756.db2.gz JARJSYXAWDOWHL-GJZGRUSLSA-N 1 1 290.407 3.089 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC[C@@H]([N@@H+](C)CC=C(C)C)C1 ZINC001191889508 810753759 /nfs/dbraw/zinc/75/37/59/810753759.db2.gz HBBJQPDAASKZNC-JKSUJKDBSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]([N@@H+](C)CC=C(C)C)C1 ZINC001191902057 810755422 /nfs/dbraw/zinc/75/54/22/810755422.db2.gz MAZHCBKJIZQWDB-CVEARBPZSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)CCCC2CC2)C1 ZINC001191902096 810755996 /nfs/dbraw/zinc/75/59/96/810755996.db2.gz MPDIWCXWVWYHLI-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C#CCOCC[N@H+](Cc1cccc(F)c1)C1CCCC1 ZINC001192014568 810767469 /nfs/dbraw/zinc/76/74/69/810767469.db2.gz UOIXPJHJPXXJIH-UHFFFAOYSA-N 1 1 275.367 3.220 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[C@@H]([N@@H+](C)CC=C(C)C)C1 ZINC001192161362 810772481 /nfs/dbraw/zinc/77/24/81/810772481.db2.gz IMGFNRWGNZPXBU-NVXWUHKLSA-N 1 1 278.440 3.088 20 30 CGEDMO CCCCCCCC[N@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC001192213807 810776186 /nfs/dbraw/zinc/77/61/86/810776186.db2.gz LNYOPGKZAPFYAC-HUUCEWRRSA-N 1 1 266.429 3.090 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@H]([N@H+](C)C[C@H](C)CC)C2)CCC1 ZINC001192217825 810777511 /nfs/dbraw/zinc/77/75/11/810777511.db2.gz KNTQAUBDUPMIDZ-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C2(C)CC(=C)C2)C1 ZINC001192258427 810781722 /nfs/dbraw/zinc/78/17/22/810781722.db2.gz WQDSYYZFYAFWCL-HOTGVXAUSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C2CC3(CC3)C2)C1 ZINC001192294682 810784596 /nfs/dbraw/zinc/78/45/96/810784596.db2.gz NVRPBZLQZZILNN-ZBFHGGJFSA-N 1 1 290.451 3.064 20 30 CGEDMO C[C@H](COCc1ccccc1)C[N@H+]1CCC[C@](C)(C#N)C1 ZINC001192461888 810799796 /nfs/dbraw/zinc/79/97/96/810799796.db2.gz ZZKKEFFALAWGEJ-FUHWJXTLSA-N 1 1 286.419 3.465 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](CCC)C(C)C)C1 ZINC001192611800 810810428 /nfs/dbraw/zinc/81/04/28/810810428.db2.gz RJEHUGDIZJOWAE-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)CC2CCCC2)C1 ZINC001192640548 810812952 /nfs/dbraw/zinc/81/29/52/810812952.db2.gz BPBMYEHLLYTCEK-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@](C)(CC)CCC)C1 ZINC001193077522 810852287 /nfs/dbraw/zinc/85/22/87/810852287.db2.gz JOYKISKOIXNZNO-DOTOQJQBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@](C)(CC)CCC)C1 ZINC001193077912 810852440 /nfs/dbraw/zinc/85/24/40/810852440.db2.gz OPYGVGLKTJYFDW-NVXWUHKLSA-N 1 1 280.456 3.312 20 30 CGEDMO CC[N@@H+](Cc1cc(C#N)ccn1)[C@@H]1CCCC[C@H]1C ZINC001193412191 810884994 /nfs/dbraw/zinc/88/49/94/810884994.db2.gz AEHSHYXECGAZIF-CZUORRHYSA-N 1 1 257.381 3.354 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001193432071 810888765 /nfs/dbraw/zinc/88/87/65/810888765.db2.gz GSDMWCKGKLXFKZ-HUUCEWRRSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[Si](C)(C)c1ccccc1 ZINC001193942036 810981789 /nfs/dbraw/zinc/98/17/89/810981789.db2.gz KRFCFFXPIPQKRY-OAHLLOKOSA-N 1 1 259.469 3.182 20 30 CGEDMO CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)CCCCC)C1 ZINC001194165112 811024862 /nfs/dbraw/zinc/02/48/62/811024862.db2.gz XKOVBSZCQCBFNW-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO C#CCN(Cc1ccccc1)C[C@H]1CCCC[N@@H+]1C(C)C ZINC001194164739 811025528 /nfs/dbraw/zinc/02/55/28/811025528.db2.gz MTNRSWKOPPCOOJ-LJQANCHMSA-N 1 1 284.447 3.385 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccc(C)cc1 ZINC001194166073 811026165 /nfs/dbraw/zinc/02/61/65/811026165.db2.gz WRBMNFRPKMESEZ-LJQANCHMSA-N 1 1 279.383 3.164 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C=C)c2ccccc2)C1 ZINC001194183950 811030171 /nfs/dbraw/zinc/03/01/71/811030171.db2.gz WVJOHGQZGQOECZ-ROUUACIJSA-N 1 1 298.430 3.065 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)C(CC(C)C)CC(C)C)C1 ZINC001194335960 811053827 /nfs/dbraw/zinc/05/38/27/811053827.db2.gz DXUHHJITXHWGOE-QGZVFWFLSA-N 1 1 294.483 3.414 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCCC2(C)C)C1 ZINC001194358594 811058701 /nfs/dbraw/zinc/05/87/01/811058701.db2.gz JZJZKPXRUAUSMJ-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO CCCCCCCCOC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC001194747880 811122656 /nfs/dbraw/zinc/12/26/56/811122656.db2.gz ISPDCLJUDLPGDI-CQSZACIVSA-N 1 1 270.417 3.167 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)C[C@H](C)CCC)CC1 ZINC001195226939 811229383 /nfs/dbraw/zinc/22/93/83/811229383.db2.gz YVZFUFPLWPSJJF-MRXNPFEDSA-N 1 1 280.456 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)[C@](C)(F)CCCC)CC1 ZINC001196357603 811337078 /nfs/dbraw/zinc/33/70/78/811337078.db2.gz HNHVZZFFZBBJDI-MRXNPFEDSA-N 1 1 284.419 3.015 20 30 CGEDMO CC#CCCCC(=O)N1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC001196847155 811372994 /nfs/dbraw/zinc/37/29/94/811372994.db2.gz VFCCTDLWCIQKOU-UHFFFAOYSA-N 1 1 292.467 3.151 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)C2(CCC)CCC2)CC1 ZINC001196838541 811373661 /nfs/dbraw/zinc/37/36/61/811373661.db2.gz HNAXVSLXNMHFHY-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1CCC[N@@H+](CC2CCCC2)CC1 ZINC001196881685 811378104 /nfs/dbraw/zinc/37/81/04/811378104.db2.gz WDPCORSNWXXHEI-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC1(C(=O)N2CCC[N@H+](CCC(=C)C)CC2)CC1 ZINC001197062471 811393588 /nfs/dbraw/zinc/39/35/88/811393588.db2.gz RKQHNXBYMPNMSO-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@@](C)(C=C)CC)CC1 ZINC001197038874 811395455 /nfs/dbraw/zinc/39/54/55/811395455.db2.gz ZRAOYXJEEBGBJS-AEFFLSMTSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)CCCC(C)C)CC1 ZINC001197237066 811407147 /nfs/dbraw/zinc/40/71/47/811407147.db2.gz XWPIIYPTWIVERS-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H](CC)CCC)CC1 ZINC001197606087 811434108 /nfs/dbraw/zinc/43/41/08/811434108.db2.gz NBEADBMDDILIQR-INIZCTEOSA-N 1 1 280.456 3.313 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC001197603890 811434175 /nfs/dbraw/zinc/43/41/75/811434175.db2.gz XOWIPEAUUUTEPW-WMLDXEAASA-N 1 1 294.439 3.141 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001197671875 811445149 /nfs/dbraw/zinc/44/51/49/811445149.db2.gz OACKHOQHVBMGAT-CQSZACIVSA-N 1 1 282.428 3.284 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)C(C)(C)CC(C)C)CC1 ZINC001197754892 811452510 /nfs/dbraw/zinc/45/25/10/811452510.db2.gz YGIDYDBNYOHQBQ-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)C[C@H](CC)C(C)(C)C)CC1 ZINC001197802762 811453336 /nfs/dbraw/zinc/45/33/36/811453336.db2.gz VFRKFWQQLASPPM-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCCCC[N@H+]1CCOC[C@@H]1C[C@H]1CCCO1 ZINC001198242070 811486498 /nfs/dbraw/zinc/48/64/98/811486498.db2.gz QGVFHBZINXUBNW-JKSUJKDBSA-N 1 1 267.413 3.003 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](CC(C)C)[C@H]2CC ZINC001201471068 811853700 /nfs/dbraw/zinc/85/37/00/811853700.db2.gz ORZNWGVHKQNWCS-RDJZCZTQSA-N 1 1 278.440 3.064 20 30 CGEDMO CCCCCCCCCCC[N@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC001201631508 811926147 /nfs/dbraw/zinc/92/61/47/811926147.db2.gz USZTXLKYXWUUBI-IAGOWNOFSA-N 1 1 285.472 3.192 20 30 CGEDMO CSCCC[N@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001201691751 811937780 /nfs/dbraw/zinc/93/77/80/811937780.db2.gz DSHPDFMKLZASDT-HNNXBMFYSA-N 1 1 290.432 3.155 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001201762847 811962903 /nfs/dbraw/zinc/96/29/03/811962903.db2.gz XQDTWWDGYRUVIM-QDMKHBRRSA-N 1 1 296.455 3.412 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](OCC)[C@H]2OCCC[C@H]21 ZINC001201762428 811963836 /nfs/dbraw/zinc/96/38/36/811963836.db2.gz KUTJXJJUIXIFCN-OAGGEKHMSA-N 1 1 269.429 3.225 20 30 CGEDMO CCCCCCC[N@@H+]1CCO[C@H](c2ccccn2)C1 ZINC001201788073 811964635 /nfs/dbraw/zinc/96/46/35/811964635.db2.gz WEPJFYCDESEVOO-INIZCTEOSA-N 1 1 262.397 3.425 20 30 CGEDMO CCCCCCC[N@H+]1CCO[C@H](c2ccccn2)C1 ZINC001201788073 811964639 /nfs/dbraw/zinc/96/46/39/811964639.db2.gz WEPJFYCDESEVOO-INIZCTEOSA-N 1 1 262.397 3.425 20 30 CGEDMO CCCCCCC[N@H+]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC001201788057 811964784 /nfs/dbraw/zinc/96/47/84/811964784.db2.gz VCEDKYTVGNPNJB-MRXNPFEDSA-N 1 1 280.456 3.434 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@]2(C1)CC(F)(F)CO2 ZINC001201797743 811965862 /nfs/dbraw/zinc/96/58/62/811965862.db2.gz DVIQJAUDGOYXRZ-CYBMUJFWSA-N 1 1 261.356 3.457 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H](Oc2ncccn2)C1 ZINC001201798061 811965963 /nfs/dbraw/zinc/96/59/63/811965963.db2.gz NEVONHIFBFVRQH-OAHLLOKOSA-N 1 1 277.412 3.290 20 30 CGEDMO CCCCCCC[N@H+]1CCc2ncc(C(=O)OC)cc2C1 ZINC001201804798 811966606 /nfs/dbraw/zinc/96/66/06/811966606.db2.gz SMVISZREYGBZRG-UHFFFAOYSA-N 1 1 290.407 3.197 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](Oc2ncncc2C)C1 ZINC001201797986 811966692 /nfs/dbraw/zinc/96/66/92/811966692.db2.gz KFJJKVSGJGROLX-HNNXBMFYSA-N 1 1 277.412 3.209 20 30 CGEDMO CCCCCCCC[N@H+]1CCC[C@H](C(=O)N(C)C)C1 ZINC001201826390 811968368 /nfs/dbraw/zinc/96/83/68/811968368.db2.gz VBCXJZNSCLYEGU-HNNXBMFYSA-N 1 1 268.445 3.147 20 30 CGEDMO CCCCCCCC[NH+]1C[C@@H]2CN(CC)C[C@H]2C1 ZINC001201839452 811969485 /nfs/dbraw/zinc/96/94/85/811969485.db2.gz DPCNCDUTVNODQY-HOTGVXAUSA-N 1 1 252.446 3.230 20 30 CGEDMO CCCCCCCC[N@@H+](CC)CCN1CCOCC1 ZINC001201839460 811970350 /nfs/dbraw/zinc/97/03/50/811970350.db2.gz DUBVGWIHVGABJA-UHFFFAOYSA-N 1 1 270.461 3.001 20 30 CGEDMO N#Cc1ccc(CNc2ccc3[nH]c[nH+]c3c2)c(F)c1 ZINC001202349598 812068828 /nfs/dbraw/zinc/06/88/28/812068828.db2.gz BIXRAQAMGPNFAJ-UHFFFAOYSA-N 1 1 266.279 3.186 20 30 CGEDMO C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1ccccc1)C2 ZINC001203306053 812304672 /nfs/dbraw/zinc/30/46/72/812304672.db2.gz BYBCCPXBZKCSAW-LJQANCHMSA-N 1 1 298.430 3.220 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1cc(Br)ccc1O ZINC001203642005 812413815 /nfs/dbraw/zinc/41/38/15/812413815.db2.gz ANAXDHHWDUBFFG-UHFFFAOYSA-N 1 1 297.196 3.280 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1cc(Br)ccc1O ZINC001203642005 812413818 /nfs/dbraw/zinc/41/38/18/812413818.db2.gz ANAXDHHWDUBFFG-UHFFFAOYSA-N 1 1 297.196 3.280 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC(C)=O)c(OC)c1)C(C)(C)C ZINC001203837447 812471838 /nfs/dbraw/zinc/47/18/38/812471838.db2.gz SUWNDOZJBYLPGO-UHFFFAOYSA-N 1 1 291.391 3.407 20 30 CGEDMO C=CC[N@H+](Cc1ccc(O)c(O)c1)C1CCCCC1 ZINC001203879906 812478052 /nfs/dbraw/zinc/47/80/52/812478052.db2.gz GVEJZPXMSSAMEK-UHFFFAOYSA-N 1 1 261.365 3.419 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)cc1 ZINC001204297804 812604337 /nfs/dbraw/zinc/60/43/37/812604337.db2.gz SJEOJKRDYCIOOQ-CWRNSKLLSA-N 1 1 261.340 3.041 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)cc1 ZINC001204297804 812604340 /nfs/dbraw/zinc/60/43/40/812604340.db2.gz SJEOJKRDYCIOOQ-CWRNSKLLSA-N 1 1 261.340 3.041 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCc3ncccc3C2)cc1 ZINC001204300423 812604754 /nfs/dbraw/zinc/60/47/54/812604754.db2.gz QPSTUYLKBNNPOZ-UHFFFAOYSA-N 1 1 280.371 3.205 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCc3ncccc3C2)cc1 ZINC001204300423 812604759 /nfs/dbraw/zinc/60/47/59/812604759.db2.gz QPSTUYLKBNNPOZ-UHFFFAOYSA-N 1 1 280.371 3.205 20 30 CGEDMO Cn1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c2ccccc21 ZINC001204325985 812614712 /nfs/dbraw/zinc/61/47/12/812614712.db2.gz SAXWZSOOTZTOKG-MKZZRHPPSA-N 1 1 279.387 3.445 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1ccc(OCC)c(OC)c1 ZINC001204360827 812620693 /nfs/dbraw/zinc/62/06/93/812620693.db2.gz SXNJDLXYPKXXAH-UHFFFAOYSA-N 1 1 276.380 3.220 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1ccc(OCC)c(OC)c1 ZINC001204360827 812620700 /nfs/dbraw/zinc/62/07/00/812620700.db2.gz SXNJDLXYPKXXAH-UHFFFAOYSA-N 1 1 276.380 3.220 20 30 CGEDMO C[N@@H+](CCc1cccc(F)c1)Cc1ccccc1C#N ZINC001204373356 812622180 /nfs/dbraw/zinc/62/21/80/812622180.db2.gz RSRXWQMCYHEWNO-UHFFFAOYSA-N 1 1 268.335 3.372 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cn(C(C)=O)c3ccccc23)C1 ZINC001204409909 812630830 /nfs/dbraw/zinc/63/08/30/812630830.db2.gz JDEDSBKICPPEAO-OAHLLOKOSA-N 1 1 280.371 3.147 20 30 CGEDMO C#CCO[C@H]1CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001205012290 812824932 /nfs/dbraw/zinc/82/49/32/812824932.db2.gz KUVDCXONEMLXDL-LBPRGKRZSA-N 1 1 284.186 3.218 20 30 CGEDMO C#CCO[C@H]1CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001205012290 812824939 /nfs/dbraw/zinc/82/49/39/812824939.db2.gz KUVDCXONEMLXDL-LBPRGKRZSA-N 1 1 284.186 3.218 20 30 CGEDMO CC[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2N(C)C)[C@@H]1C ZINC001205472206 812989943 /nfs/dbraw/zinc/98/99/43/812989943.db2.gz XSQWYZNXSZLHED-HIFRSBDPSA-N 1 1 271.408 3.245 20 30 CGEDMO C=CC[C@@H]([NH2+]C1CCC(CCC)CC1)C(=O)OCC ZINC001205660908 813046416 /nfs/dbraw/zinc/04/64/16/813046416.db2.gz PPWGXHBXYDRMDJ-YMAMQOFZSA-N 1 1 267.413 3.443 20 30 CGEDMO Cc1ccc(N2CCC(OCCCCC#N)CC2)[nH+]c1 ZINC001205672097 813047943 /nfs/dbraw/zinc/04/79/43/813047943.db2.gz HUTJDCCDOCRUAV-UHFFFAOYSA-N 1 1 273.380 3.069 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)[C@H](CO)c2ccc(Cl)cc2)cc1 ZINC001205923723 813135268 /nfs/dbraw/zinc/13/52/68/813135268.db2.gz DODUNJCKKSISDF-GOSISDBHSA-N 1 1 299.801 3.487 20 30 CGEDMO C#C[C@H]([NH2+]Cc1ccc2nonc2c1)c1ccc(Cl)cc1 ZINC001206084341 813194652 /nfs/dbraw/zinc/19/46/52/813194652.db2.gz HBAWUSKYMCIMHN-AWEZNQCLSA-N 1 1 297.745 3.340 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCCCO3)C1 ZINC001206411063 813317520 /nfs/dbraw/zinc/31/75/20/813317520.db2.gz UUICBQZWROYRAN-MRXNPFEDSA-N 1 1 299.414 3.473 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CCCCCC2)C1 ZINC001206490708 813334416 /nfs/dbraw/zinc/33/44/16/813334416.db2.gz RPTFLSDGWWSZOE-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CO[C@H]1CCC[N@H+]([C@@H](C)c2ccccn2)C1 ZINC001206750392 813420466 /nfs/dbraw/zinc/42/04/66/813420466.db2.gz HZTAVTSHZKHILA-GJZGRUSLSA-N 1 1 260.381 3.200 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001207093244 813484170 /nfs/dbraw/zinc/48/41/70/813484170.db2.gz FJLCWXJLMZDYFX-NUJGCVRESA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](CCC(=C)C)C[C@H]1C ZINC001207107317 813487345 /nfs/dbraw/zinc/48/73/45/813487345.db2.gz FUJRYZDPQUKUNC-NVXWUHKLSA-N 1 1 290.451 3.158 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC=C(C)C)C[C@H]1C ZINC001207145524 813495912 /nfs/dbraw/zinc/49/59/12/813495912.db2.gz KGBNPASOTBSCBR-TZMCWYRMSA-N 1 1 298.858 3.168 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](CCCCCF)C[C@H]1C ZINC001207165341 813501479 /nfs/dbraw/zinc/50/14/79/813501479.db2.gz JYHALZLXECOUCF-HUUCEWRRSA-N 1 1 298.446 3.165 20 30 CGEDMO N#C[C@H]1CC[N@H+](C[C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001207192165 813512086 /nfs/dbraw/zinc/51/20/86/813512086.db2.gz PDWFQJUADPNVLD-ZLDLUXBVSA-N 1 1 260.768 3.289 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1C[N@H+](CCC2CCCC2)C[C@H]1C ZINC001207190828 813512521 /nfs/dbraw/zinc/51/25/21/813512521.db2.gz WOHKHPXEZJAYQB-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO N#Cc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(Cl)cc1O)C2 ZINC001207243055 813520855 /nfs/dbraw/zinc/52/08/55/813520855.db2.gz IFXWBJZCPKKHRD-INIZCTEOSA-N 1 1 298.773 3.174 20 30 CGEDMO C=CC[N@@H+](C)CCCc1ccc(Br)cc1 ZINC001207322525 813541429 /nfs/dbraw/zinc/54/14/29/813541429.db2.gz UFALQMRNNUNBEO-UHFFFAOYSA-N 1 1 268.198 3.500 20 30 CGEDMO N#CCC[N@@H+](Cc1ccc(Cl)cc1)C[C@H]1CCCOC1 ZINC001207471995 813571684 /nfs/dbraw/zinc/57/16/84/813571684.db2.gz XPDKWFGLXLUJNY-OAHLLOKOSA-N 1 1 292.810 3.482 20 30 CGEDMO N#CCC[N@H+](Cc1ccc(Cl)cc1)C[C@H]1CCCOC1 ZINC001207471995 813571689 /nfs/dbraw/zinc/57/16/89/813571689.db2.gz XPDKWFGLXLUJNY-OAHLLOKOSA-N 1 1 292.810 3.482 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](CCCc2ccccc2F)C1 ZINC001207494524 813576114 /nfs/dbraw/zinc/57/61/14/813576114.db2.gz XMOKEAPUIYOESX-AWEZNQCLSA-N 1 1 260.356 3.384 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC001207711676 813639058 /nfs/dbraw/zinc/63/90/58/813639058.db2.gz MCMMXIQJNJTMGL-UHFFFAOYSA-N 1 1 284.428 3.450 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C(C)(C)C)C1 ZINC001207709411 813639107 /nfs/dbraw/zinc/63/91/07/813639107.db2.gz WJSNYJKKFYOSPN-RBSFLKMASA-N 1 1 280.456 3.071 20 30 CGEDMO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](CC)CCCC)C1 ZINC001208036408 813687482 /nfs/dbraw/zinc/68/74/82/813687482.db2.gz JVMVRWYFKIWCST-IXDOHACOSA-N 1 1 292.467 3.053 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CC[C@@H](NC(C)=O)C1 ZINC001208122884 813697692 /nfs/dbraw/zinc/69/76/92/813697692.db2.gz BBBPRYWMGAFHTQ-ZNFPLGDCSA-N 1 1 266.429 3.114 20 30 CGEDMO CCCCCCC/C=C/C[NH+]1CCN(CCOC)CC1 ZINC001208119804 813698182 /nfs/dbraw/zinc/69/81/82/813698182.db2.gz HJYYYUIUVDWXCI-MDZDMXLPSA-N 1 1 282.472 3.167 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+](C)Cc2cnn(C)c2)CC1 ZINC001208168121 813722459 /nfs/dbraw/zinc/72/24/59/813722459.db2.gz IGTTXASOXFGXCN-MRXNPFEDSA-N 1 1 259.397 3.155 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[NH+]2CC(N3CCC(F)(F)C3)C2)CC1 ZINC001208179026 813730894 /nfs/dbraw/zinc/73/08/94/813730894.db2.gz ZOBRIPLXPMMFPP-OAHLLOKOSA-N 1 1 296.405 3.314 20 30 CGEDMO COC(C)(C)CCC[C@@H](C)CC[N@H+]1CC[C@@H](C#N)C1 ZINC001208217078 813748203 /nfs/dbraw/zinc/74/82/03/813748203.db2.gz IHVPMFPGEJCOIN-CABCVRRESA-N 1 1 266.429 3.453 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1C ZINC001208388950 813758883 /nfs/dbraw/zinc/75/88/83/813758883.db2.gz UGCZZBSGWMOHRE-BFYDXBDKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1C[N@@H+](C[C@H](C)CC(C)C)C[C@H]1C ZINC001208455106 813761836 /nfs/dbraw/zinc/76/18/36/813761836.db2.gz BQZGNOVVBWSLTM-BRWVUGGUSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C ZINC001208452261 813762253 /nfs/dbraw/zinc/76/22/53/813762253.db2.gz CFGBDVZNGTUGJQ-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO N#C[C@@H]1CCCCN1C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001208587880 813769005 /nfs/dbraw/zinc/76/90/05/813769005.db2.gz BABNQGDQZKYHFH-RBUKOAKNSA-N 1 1 297.446 3.419 20 30 CGEDMO N#Cc1ccccc1O[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001208687495 813796870 /nfs/dbraw/zinc/79/68/70/813796870.db2.gz FDQWYJLYORRLHM-MRXNPFEDSA-N 1 1 270.376 3.202 20 30 CGEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](CCCC(C)C)C2 ZINC001208735574 813825810 /nfs/dbraw/zinc/82/58/10/813825810.db2.gz NJTSWHMZELDJES-DLBZAZTESA-N 1 1 281.440 3.249 20 30 CGEDMO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCc1cccc(C#N)c1 ZINC001208850815 813865235 /nfs/dbraw/zinc/86/52/35/813865235.db2.gz JSHHFKCDSSJFOS-JWTNVVGKSA-N 1 1 284.403 3.133 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](CCCc2ccc(C#N)cc2)C1 ZINC001208857952 813870458 /nfs/dbraw/zinc/87/04/58/813870458.db2.gz HVTIJGVNQJYGGJ-QGZVFWFLSA-N 1 1 267.376 3.117 20 30 CGEDMO C[C@H]1C[N@@H+](CCCc2ccc(C#N)cc2)C2(CC2)C1 ZINC001208864108 813872616 /nfs/dbraw/zinc/87/26/16/813872616.db2.gz INWXBSFCMGBZAJ-CQSZACIVSA-N 1 1 254.377 3.365 20 30 CGEDMO N#Cc1ccc(O[C@@H]2CCC[N@@H+](C[C@@H]3CCC=CO3)C2)cc1 ZINC001208885163 813882617 /nfs/dbraw/zinc/88/26/17/813882617.db2.gz KMSYGNSPANQYMR-ZWKOTPCHSA-N 1 1 298.386 3.094 20 30 CGEDMO C[C@@H](C[N@H+]1CC[C@@](CF)(C(F)(F)F)C1)C(F)(F)F ZINC001208896558 813887155 /nfs/dbraw/zinc/88/71/55/813887155.db2.gz WVCYQSGAEAKDQR-YUMQZZPRSA-N 1 1 281.215 3.409 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1C ZINC001208934215 813903955 /nfs/dbraw/zinc/90/39/55/813903955.db2.gz XYJXKOUAIUFEGB-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO CC1(C#N)CCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208954595 813910756 /nfs/dbraw/zinc/91/07/56/813910756.db2.gz WNIZDLFCUIQEBR-SFHVURJKSA-N 1 1 297.446 3.134 20 30 CGEDMO C=CC[N@H+](C[C@H]1CCN1C(=O)OC(C)(C)C)C(C)(C)C ZINC001209006187 813915833 /nfs/dbraw/zinc/91/58/33/813915833.db2.gz ZUBRIIJSXXFYAC-CYBMUJFWSA-N 1 1 282.428 3.282 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)CC1 ZINC001209160245 813952185 /nfs/dbraw/zinc/95/21/85/813952185.db2.gz LGKOYIAFXIDSBI-CQSZACIVSA-N 1 1 282.428 3.332 20 30 CGEDMO C=CCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C2(CC2)C1 ZINC001209163252 813953502 /nfs/dbraw/zinc/95/35/02/813953502.db2.gz ZMKCILPEDCBPHV-UHFFFAOYSA-N 1 1 280.412 3.038 20 30 CGEDMO C=CCCCC[N@H+]1CC[C@@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001209203312 813966019 /nfs/dbraw/zinc/96/60/19/813966019.db2.gz WJXXGRJPLAMJPS-IAGOWNOFSA-N 1 1 279.424 3.003 20 30 CGEDMO C=CCCCC[NH+]1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001209205022 813966498 /nfs/dbraw/zinc/96/64/98/813966498.db2.gz OTVPQZDKWUCBOS-RTBURBONSA-N 1 1 284.447 3.407 20 30 CGEDMO C=CCCCC[NH+]1CCN(CC2CCCC2)CC1 ZINC001209203231 813966844 /nfs/dbraw/zinc/96/68/44/813966844.db2.gz VLDXLHZLWBWTFZ-UHFFFAOYSA-N 1 1 250.430 3.151 20 30 CGEDMO C=CCCCC[NH+]1CCC(N2CCC(F)CC2)CC1 ZINC001209205540 813966880 /nfs/dbraw/zinc/96/68/80/813966880.db2.gz XYFJCZQPYABEIK-UHFFFAOYSA-N 1 1 268.420 3.241 20 30 CGEDMO C=CCCCCN1CCC([NH+]2CCC(F)CC2)CC1 ZINC001209205540 813966886 /nfs/dbraw/zinc/96/68/86/813966886.db2.gz XYFJCZQPYABEIK-UHFFFAOYSA-N 1 1 268.420 3.241 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@H+](CCc1cccs1)CC2 ZINC001209222019 813972688 /nfs/dbraw/zinc/97/26/88/813972688.db2.gz GSCDZQOQPXNCKI-UHFFFAOYSA-N 1 1 268.385 3.221 20 30 CGEDMO C#CCCC[N@H+]1CCC[C@@H](Sc2ccncc2)C1 ZINC001209266379 813987829 /nfs/dbraw/zinc/98/78/29/813987829.db2.gz WHAUBTXEQGDKON-OAHLLOKOSA-N 1 1 260.406 3.052 20 30 CGEDMO C#CCCC[N@H+](CC)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001209270011 813989050 /nfs/dbraw/zinc/98/90/50/813989050.db2.gz TWCTYKXLCIJDEH-HNNXBMFYSA-N 1 1 294.439 3.121 20 30 CGEDMO C#CCCC[N@@H+]1CCc2ccc(OC(F)(F)F)cc2C1 ZINC001209267151 813990116 /nfs/dbraw/zinc/99/01/16/813990116.db2.gz CCAFKKWLQXFOOI-UHFFFAOYSA-N 1 1 283.293 3.357 20 30 CGEDMO C[C@@H]1C[C@@H]1C[N@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001209422899 814023985 /nfs/dbraw/zinc/02/39/85/814023985.db2.gz ZSZXUCIMNDUBLA-FVQBIDKESA-N 1 1 270.376 3.057 20 30 CGEDMO C=CCCCCCC[N@H+]1CC[C@@H](N2CCCC2)C1 ZINC001209435535 814036803 /nfs/dbraw/zinc/03/68/03/814036803.db2.gz DUDKAIOYLZSKHI-MRXNPFEDSA-N 1 1 250.430 3.293 20 30 CGEDMO C=CCCCCCCN1CC[C@@H]([NH+]2CCCC2)C1 ZINC001209435535 814036812 /nfs/dbraw/zinc/03/68/12/814036812.db2.gz DUDKAIOYLZSKHI-MRXNPFEDSA-N 1 1 250.430 3.293 20 30 CGEDMO C=CCCCCCC[N@@H+]1CCC[C@H]1CC(=O)OC ZINC001209436913 814037189 /nfs/dbraw/zinc/03/71/89/814037189.db2.gz ZPDUWWVGJIAZSA-AWEZNQCLSA-N 1 1 253.386 3.150 20 30 CGEDMO C=CCCCCCC[N@H+]1C[C@H](C(=O)OC)C[C@H](C)C1 ZINC001209436413 814037268 /nfs/dbraw/zinc/03/72/68/814037268.db2.gz QTLGDUIZJSEYFN-LSDHHAIUSA-N 1 1 267.413 3.254 20 30 CGEDMO C=CCCCCCCCN1CC[NH+](CCCOC)CC1 ZINC001209439279 814038720 /nfs/dbraw/zinc/03/87/20/814038720.db2.gz LUVDXDAKXLUUEI-UHFFFAOYSA-N 1 1 282.472 3.167 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CCn2c(nnc2C2CC2)C1 ZINC001209439695 814039537 /nfs/dbraw/zinc/03/95/37/814039537.db2.gz WBZDADAOYZDBMB-UHFFFAOYSA-N 1 1 288.439 3.498 20 30 CGEDMO C=CCCCCCCC[N@H+]1CCn2c(nnc2C2CC2)C1 ZINC001209439695 814039547 /nfs/dbraw/zinc/03/95/47/814039547.db2.gz WBZDADAOYZDBMB-UHFFFAOYSA-N 1 1 288.439 3.498 20 30 CGEDMO C=CCCCCCC[N@@H+]1CC[C@@H](Oc2nccnc2C)C1 ZINC001209441043 814041133 /nfs/dbraw/zinc/04/11/33/814041133.db2.gz SHELDZUHJXWWQO-MRXNPFEDSA-N 1 1 289.423 3.375 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CCO[C@@H]2C[C@@H](CO)C[C@H]21 ZINC001209443535 814043047 /nfs/dbraw/zinc/04/30/47/814043047.db2.gz UWIDSXIMESPCEE-RCCFBDPRSA-N 1 1 295.467 3.375 20 30 CGEDMO C=CCCCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C ZINC001209442428 814043299 /nfs/dbraw/zinc/04/32/99/814043299.db2.gz RQYSDZUAIAHBAT-IYBDPMFKSA-N 1 1 250.430 3.291 20 30 CGEDMO C=CCCCCCCCN1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001209442428 814043308 /nfs/dbraw/zinc/04/33/08/814043308.db2.gz RQYSDZUAIAHBAT-IYBDPMFKSA-N 1 1 250.430 3.291 20 30 CGEDMO C=CCCCCCCCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001209442428 814043316 /nfs/dbraw/zinc/04/33/16/814043316.db2.gz RQYSDZUAIAHBAT-IYBDPMFKSA-N 1 1 250.430 3.291 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CCn2c(C)nnc2C1 ZINC001209444236 814043685 /nfs/dbraw/zinc/04/36/85/814043685.db2.gz ODTGBKICSMYTCY-UHFFFAOYSA-N 1 1 276.428 3.319 20 30 CGEDMO C=CCCCCCCCC[N@H+]1CCn2c(C)nnc2C1 ZINC001209444236 814043690 /nfs/dbraw/zinc/04/36/90/814043690.db2.gz ODTGBKICSMYTCY-UHFFFAOYSA-N 1 1 276.428 3.319 20 30 CGEDMO Cc1ccc2[nH]cc(C[N@H+]3CC[C@H]4SC(=O)C=C4C3)c2c1 ZINC001209494540 814063540 /nfs/dbraw/zinc/06/35/40/814063540.db2.gz HTVBOYDFANCCSL-MRXNPFEDSA-N 1 1 298.411 3.250 20 30 CGEDMO Cc1ccc2[nH]cc(C[N@@H+]3CCC4SC(=O)C=C4C3)c2c1 ZINC001209494540 814063549 /nfs/dbraw/zinc/06/35/49/814063549.db2.gz HTVBOYDFANCCSL-MRXNPFEDSA-N 1 1 298.411 3.250 20 30 CGEDMO Cc1ccc2[nH]cc(C[N@H+]3CCC4SC(=O)C=C4C3)c2c1 ZINC001209494540 814063558 /nfs/dbraw/zinc/06/35/58/814063558.db2.gz HTVBOYDFANCCSL-MRXNPFEDSA-N 1 1 298.411 3.250 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@@H](Oc3ccccc3C#N)C2)[nH]1 ZINC001209579159 814090845 /nfs/dbraw/zinc/09/08/45/814090845.db2.gz RYKAPWALZMUDQK-QGZVFWFLSA-N 1 1 295.386 3.238 20 30 CGEDMO COc1ccc(C#N)c(Nc2ccc3[nH]c[nH+]c3c2)c1 ZINC001209846599 814163593 /nfs/dbraw/zinc/16/35/93/814163593.db2.gz HFJASYDOAHWAAW-UHFFFAOYSA-N 1 1 264.288 3.187 20 30 CGEDMO N#Cc1c(F)ccc(Nc2ccc3[nH]c[nH+]c3c2)c1F ZINC001209848601 814167626 /nfs/dbraw/zinc/16/76/26/814167626.db2.gz MJIOJQLKNUHFLR-UHFFFAOYSA-N 1 1 270.242 3.456 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)CC(C)C)C1 ZINC001210143461 814309121 /nfs/dbraw/zinc/30/91/21/814309121.db2.gz KLMMKWKVGSRIMY-HUUCEWRRSA-N 1 1 280.456 3.071 20 30 CGEDMO CCc1ncccc1Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001210464580 814471566 /nfs/dbraw/zinc/47/15/66/814471566.db2.gz GKPJCMAVPCSMDK-UHFFFAOYSA-N 1 1 298.415 3.309 20 30 CGEDMO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCCCCCCC)C1 ZINC001210559882 814527025 /nfs/dbraw/zinc/52/70/25/814527025.db2.gz GJRLOSUVXUKZGS-IAGOWNOFSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CCCC)C(C)C)C1 ZINC001211389512 814888049 /nfs/dbraw/zinc/88/80/49/814888049.db2.gz UUCRAOHYECWIGA-BZUAXINKSA-N 1 1 280.456 3.071 20 30 CGEDMO CCCCCCc1nnc([C@H]([NH3+])Cc2cccc(C#N)c2)o1 ZINC001217713183 815946985 /nfs/dbraw/zinc/94/69/85/815946985.db2.gz NPWVRLWAFRBFIG-OAHLLOKOSA-N 1 1 298.390 3.307 20 30 CGEDMO C=CCCCCCCCCO[C@H]1CC[NH2+]CC(=O)C1 ZINC001217828339 815971317 /nfs/dbraw/zinc/97/13/17/815971317.db2.gz NPYYBDHPQXZTEM-INIZCTEOSA-N 1 1 267.413 3.241 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](C=C)CC)[C@@H]2C1 ZINC001221762168 816327174 /nfs/dbraw/zinc/32/71/74/816327174.db2.gz RRICWHYWIDWSAK-BRWVUGGUSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)CCCCC)[C@@H]2C1 ZINC001222038233 816339668 /nfs/dbraw/zinc/33/96/68/816339668.db2.gz SGPFFKGXCDJXPX-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)/C=C\C(C)(C)C)C[C@@H]21 ZINC001222475132 816453488 /nfs/dbraw/zinc/45/34/88/816453488.db2.gz LFFMQXOLIQQIES-SELBCVKXSA-N 1 1 290.451 3.088 20 30 CGEDMO C[N@H+]1CCC[C@@H](OCc2ccc(C(C)(C)C#N)cc2)CC1 ZINC001223156424 816578867 /nfs/dbraw/zinc/57/88/67/816578867.db2.gz CIGQRMMGTOCAMK-QGZVFWFLSA-N 1 1 286.419 3.489 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)CC(C)=C(C)C)C[C@@H]21 ZINC001223283562 816597516 /nfs/dbraw/zinc/59/75/16/816597516.db2.gz GPGLKYADQBKADU-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]2CC[N@H+](C[C@@H](F)CC)[C@H]2C1 ZINC001223401964 816622444 /nfs/dbraw/zinc/62/24/44/816622444.db2.gz UHAHFCUMFDVFMV-PMPSAXMXSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCCCCC)C[C@@H]21 ZINC001224069511 816730655 /nfs/dbraw/zinc/73/06/55/816730655.db2.gz ITBJTGQAZIALFQ-SJORKVTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCO[C@H]1CCC[N@H+]([C@H](C)c2ccccn2)C1 ZINC001224339171 816782079 /nfs/dbraw/zinc/78/20/79/816782079.db2.gz FRYONPVSQQXVOW-CABCVRRESA-N 1 1 260.381 3.200 20 30 CGEDMO C[C@@H](OC[C@H]1CCCC[N@H+]1C)c1ccccc1C#N ZINC001224704607 816859430 /nfs/dbraw/zinc/85/94/30/816859430.db2.gz BCUDWFGHXYCGTB-UKRRQHHQSA-N 1 1 258.365 3.120 20 30 CGEDMO C[C@H](OC[C@H]1CCCC[N@H+]1C)c1ccccc1C#N ZINC001224704603 816859761 /nfs/dbraw/zinc/85/97/61/816859761.db2.gz BCUDWFGHXYCGTB-DZGCQCFKSA-N 1 1 258.365 3.120 20 30 CGEDMO N#CC1CC(OC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC001224827205 816890651 /nfs/dbraw/zinc/89/06/51/816890651.db2.gz TUWFZZNFTHNMMU-AOCRQIFASA-N 1 1 284.403 3.217 20 30 CGEDMO C#CC[C@@H](C)OC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001224826384 816890682 /nfs/dbraw/zinc/89/06/82/816890682.db2.gz PIMHXSAVGMJJGM-AEFFLSMTSA-N 1 1 271.404 3.327 20 30 CGEDMO C#C[C@@H](CC)OC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001224830149 816892168 /nfs/dbraw/zinc/89/21/68/816892168.db2.gz MOVAEZZNUFPPLS-ROUUACIJSA-N 1 1 271.404 3.327 20 30 CGEDMO C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCCC[NH+]1CCOCC1 ZINC001224866934 816898114 /nfs/dbraw/zinc/89/81/14/816898114.db2.gz JTGYWIINTJUEQD-IKGGRYGDSA-N 1 1 281.440 3.106 20 30 CGEDMO N#Cc1ccc(OC2CC[NH+](CCF)CC2)c(Cl)c1 ZINC001225727698 817160402 /nfs/dbraw/zinc/16/04/02/817160402.db2.gz YHHGSSLKPQLEQU-UHFFFAOYSA-N 1 1 282.746 3.024 20 30 CGEDMO C#C[C@H](CCCC)Oc1cc(N)[nH+]c2ccccc21 ZINC001226423353 817351963 /nfs/dbraw/zinc/35/19/63/817351963.db2.gz WDENYLCEXBPZPI-GFCCVEGCSA-N 1 1 254.333 3.388 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)C[C@H](C)CCC)CC1 ZINC001226493517 817375868 /nfs/dbraw/zinc/37/58/68/817375868.db2.gz FDWBJCJPVZZXJV-GFCCVEGCSA-N 1 1 286.847 3.146 20 30 CGEDMO CC[N@H+]1CCC[C@H](Oc2c(C)cc(C#N)cc2Cl)C1 ZINC001226595212 817408183 /nfs/dbraw/zinc/40/81/83/817408183.db2.gz JVLMYZVXDHYSDG-ZDUSSCGKSA-N 1 1 278.783 3.383 20 30 CGEDMO CC(C)[NH+]1CC(Oc2ccc3cc(C#N)ccc3c2)C1 ZINC001226813369 817473728 /nfs/dbraw/zinc/47/37/28/817473728.db2.gz PGZGLNPJAPSGOI-UHFFFAOYSA-N 1 1 266.344 3.183 20 30 CGEDMO Cc1cc(O[C@@H]2CCC[N@H+](C)CC2)c(C)cc1C#N ZINC001228147552 817824465 /nfs/dbraw/zinc/82/44/65/817824465.db2.gz OSPJAYAATOMAFL-OAHLLOKOSA-N 1 1 258.365 3.038 20 30 CGEDMO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1CCC1CCCC1 ZINC001231178251 818053536 /nfs/dbraw/zinc/05/35/36/818053536.db2.gz KNYMQHILOMGKEW-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)CC1CCCC1 ZINC001231378558 818086973 /nfs/dbraw/zinc/08/69/73/818086973.db2.gz GABKDTFTVRCNSD-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001231616439 818138307 /nfs/dbraw/zinc/13/83/07/818138307.db2.gz ARFUANHJAKGXHX-OCCSQVGLSA-N 1 1 292.329 3.044 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)CC1CC(F)(F)C1 ZINC001231619940 818138857 /nfs/dbraw/zinc/13/88/57/818138857.db2.gz MICNGCFDWGACJT-UHFFFAOYSA-N 1 1 280.318 3.044 20 30 CGEDMO C#Cc1cccc(C[N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c1 ZINC001231658089 818150716 /nfs/dbraw/zinc/15/07/16/818150716.db2.gz QOORZSWAQWIZNV-CABCVRRESA-N 1 1 261.315 3.145 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CC[C@@H](Oc3ccncc3C)C2)c1 ZINC001231663171 818153309 /nfs/dbraw/zinc/15/33/09/818153309.db2.gz KVPLMVGJXBTWDJ-GOSISDBHSA-N 1 1 292.382 3.025 20 30 CGEDMO C=CCN1CC[NH+](Cc2ccc(OC(C)(C)C)cc2)CC1 ZINC001231806181 818181626 /nfs/dbraw/zinc/18/16/26/818181626.db2.gz NZKISIZGXISTCH-UHFFFAOYSA-N 1 1 288.435 3.168 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1ccc(N(C)CCC#N)cc1 ZINC001231817290 818184938 /nfs/dbraw/zinc/18/49/38/818184938.db2.gz DQQOWJVDJRCGDR-UHFFFAOYSA-N 1 1 284.407 3.162 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1ccc(N(C)CCC#N)cc1 ZINC001231817290 818184939 /nfs/dbraw/zinc/18/49/39/818184939.db2.gz DQQOWJVDJRCGDR-UHFFFAOYSA-N 1 1 284.407 3.162 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC3(CC3)C2)cc1 ZINC001231816269 818185079 /nfs/dbraw/zinc/18/50/79/818185079.db2.gz LCKUGPIXSDPEGU-UHFFFAOYSA-N 1 1 269.392 3.022 20 30 CGEDMO Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CC[C@H](C#N)C1 ZINC001232006590 818230899 /nfs/dbraw/zinc/23/08/99/818230899.db2.gz JJJPFBQAIASPDW-LLVKDONJSA-N 1 1 268.282 3.359 20 30 CGEDMO Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@H](C#N)C1 ZINC001232006590 818230903 /nfs/dbraw/zinc/23/09/03/818230903.db2.gz JJJPFBQAIASPDW-LLVKDONJSA-N 1 1 268.282 3.359 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2c[nH]c3cccc(OC)c23)C1 ZINC001232036574 818238004 /nfs/dbraw/zinc/23/80/04/818238004.db2.gz KRFQPDXROSWYST-CYBMUJFWSA-N 1 1 268.360 3.022 20 30 CGEDMO C=CC[N@H+](Cc1ccc(C(=O)OC)[nH]1)C1CCCCC1 ZINC001232078812 818247311 /nfs/dbraw/zinc/24/73/11/818247311.db2.gz HYDJMAGLHQSVRF-UHFFFAOYSA-N 1 1 276.380 3.122 20 30 CGEDMO C[N@@H+](CCc1ccncc1)Cc1ccc(C#N)c(Cl)c1 ZINC001232119757 818260566 /nfs/dbraw/zinc/26/05/66/818260566.db2.gz IMUBHZKDRZBBLN-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO CCOc1ncc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1C ZINC001232306879 818310127 /nfs/dbraw/zinc/31/01/27/818310127.db2.gz JTFNLQVIZRTBER-MKZZRHPPSA-N 1 1 285.391 3.055 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)ccn1)[C@H]1CCc2ccccc21 ZINC001232482277 818367081 /nfs/dbraw/zinc/36/70/81/818367081.db2.gz PKQASRFGZAFVNN-KRWDZBQOSA-N 1 1 263.344 3.073 20 30 CGEDMO C[C@]1(CO)CCC[N@H+](Cc2ccc(Cl)cc2C#N)CC1 ZINC001232604670 818394034 /nfs/dbraw/zinc/39/40/34/818394034.db2.gz DREYRBYRCVXAFB-INIZCTEOSA-N 1 1 292.810 3.196 20 30 CGEDMO C[C@]1(CO)CCC[N@@H+](Cc2ccc(Cl)cc2C#N)CC1 ZINC001232604670 818394041 /nfs/dbraw/zinc/39/40/41/818394041.db2.gz DREYRBYRCVXAFB-INIZCTEOSA-N 1 1 292.810 3.196 20 30 CGEDMO C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)CC[C@]1(C)O ZINC001232604777 818394591 /nfs/dbraw/zinc/39/45/91/818394591.db2.gz IJVLTZMWWNYQNT-WBMJQRKESA-N 1 1 292.810 3.195 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)CC[C@]1(C)O ZINC001232604777 818394598 /nfs/dbraw/zinc/39/45/98/818394598.db2.gz IJVLTZMWWNYQNT-WBMJQRKESA-N 1 1 292.810 3.195 20 30 CGEDMO N#Cc1ccc([O-])c(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c1 ZINC001232679647 818417013 /nfs/dbraw/zinc/41/70/13/818417013.db2.gz PJNLTDNAFBLFLI-CABCVRRESA-N 1 1 270.376 3.276 20 30 CGEDMO N#Cc1ccc([O-])c(C[N@H+]2CCCC[C@H]2c2cccnc2)c1 ZINC001232679552 818417634 /nfs/dbraw/zinc/41/76/34/818417634.db2.gz NPUSKBWWJRAWAW-KRWDZBQOSA-N 1 1 293.370 3.386 20 30 CGEDMO Cc1c(Cl)nccc1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001232753038 818434126 /nfs/dbraw/zinc/43/41/26/818434126.db2.gz FCRKGQBYSRDVIF-LBPRGKRZSA-N 1 1 263.772 3.169 20 30 CGEDMO Cc1c(Cl)nccc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001232753038 818434129 /nfs/dbraw/zinc/43/41/29/818434129.db2.gz FCRKGQBYSRDVIF-LBPRGKRZSA-N 1 1 263.772 3.169 20 30 CGEDMO CN(C)c1ccc(C[N@@H+](CCC#N)C2CCCC2)c(O)c1 ZINC001232838323 818453476 /nfs/dbraw/zinc/45/34/76/818453476.db2.gz DWQVUOLALFLGAO-UHFFFAOYSA-N 1 1 287.407 3.116 20 30 CGEDMO Cc1ccc(C[N@@H+]2CC[C@H](F)C(F)(F)CC2)c(C#N)c1 ZINC001232962828 818484289 /nfs/dbraw/zinc/48/42/89/818484289.db2.gz RVDWKNNKXFTAOR-AWEZNQCLSA-N 1 1 282.309 3.436 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@H](F)C(F)(F)CC2)c(C#N)c1 ZINC001232962828 818484292 /nfs/dbraw/zinc/48/42/92/818484292.db2.gz RVDWKNNKXFTAOR-AWEZNQCLSA-N 1 1 282.309 3.436 20 30 CGEDMO N#Cc1cc[nH]c1C[N@H+]1CCC[C@H]1C1CCCCC1 ZINC001233047955 818510231 /nfs/dbraw/zinc/51/02/31/818510231.db2.gz RLKBYIQFVAKXBP-INIZCTEOSA-N 1 1 257.381 3.431 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)cc1[O-])Cc1ccccc1F ZINC001233387089 818607150 /nfs/dbraw/zinc/60/71/50/818607150.db2.gz UKFHTTJYDWSACM-UHFFFAOYSA-N 1 1 284.334 3.425 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)cc1O)Cc1ccccc1F ZINC001233387089 818607156 /nfs/dbraw/zinc/60/71/56/818607156.db2.gz UKFHTTJYDWSACM-UHFFFAOYSA-N 1 1 284.334 3.425 20 30 CGEDMO CCCCCCC[N@@H+](C)Cc1cc(O)c(O)cc1O ZINC001233485259 818625055 /nfs/dbraw/zinc/62/50/55/818625055.db2.gz OMYALLZNSQYFBU-UHFFFAOYSA-N 1 1 267.369 3.206 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1oc(C)cc1C ZINC001233491319 818626465 /nfs/dbraw/zinc/62/64/65/818626465.db2.gz WJKOSMSUFLSECE-HNNXBMFYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CC1CCC1 ZINC001233519010 818630927 /nfs/dbraw/zinc/63/09/27/818630927.db2.gz DHCOXWPIUBJGMY-GOEBONIOSA-N 1 1 278.440 3.064 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](Oc2ccc3sc(C#N)nc3c2)C1 ZINC001233697513 818683747 /nfs/dbraw/zinc/68/37/47/818683747.db2.gz CNRMKVXXQJGEHR-GFCCVEGCSA-N 1 1 287.388 3.029 20 30 CGEDMO CC[N@H+]1CCC[C@@H](Oc2ccc3sc(C#N)nc3c2)C1 ZINC001233707830 818687958 /nfs/dbraw/zinc/68/79/58/818687958.db2.gz ZOCZWJFUHUMIGL-GFCCVEGCSA-N 1 1 287.388 3.031 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(CC=C)CC=C ZINC001234517821 818871508 /nfs/dbraw/zinc/87/15/08/818871508.db2.gz QBWAMWJTBJMVJF-QGZVFWFLSA-N 1 1 290.451 3.254 20 30 CGEDMO COc1cc(C#N)cc(C)c1O[C@H]1CCC[N@H+](C(C)C)C1 ZINC001234865831 818939064 /nfs/dbraw/zinc/93/90/64/818939064.db2.gz ZMPQWKUKAGNFEZ-HNNXBMFYSA-N 1 1 288.391 3.127 20 30 CGEDMO COc1cc(C#N)cc(C)c1O[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001234865833 818939457 /nfs/dbraw/zinc/93/94/57/818939457.db2.gz ZMPQWKUKAGNFEZ-OAHLLOKOSA-N 1 1 288.391 3.127 20 30 CGEDMO CCCCCCC/C=C/C[N@@H+]1CCC[C@@]2(CNCCO2)C1 ZINC001235114012 819008825 /nfs/dbraw/zinc/00/88/25/819008825.db2.gz IPNPLZZRKQYDOP-GFOMBABLSA-N 1 1 294.483 3.358 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CCC[C@@]2(CNCCO2)C1 ZINC001235114012 819008828 /nfs/dbraw/zinc/00/88/28/819008828.db2.gz IPNPLZZRKQYDOP-GFOMBABLSA-N 1 1 294.483 3.358 20 30 CGEDMO N#CCc1ccccc1C[N@H+]1CCOC2(CCCCC2)C1 ZINC001235530121 819116328 /nfs/dbraw/zinc/11/63/28/819116328.db2.gz QNPWPJNDXDKCOP-UHFFFAOYSA-N 1 1 284.403 3.288 20 30 CGEDMO C[C@@H]1CC[N@H+](Cc2c(F)cc(C#N)cc2F)[C@@H](C)C1 ZINC001235659247 819130447 /nfs/dbraw/zinc/13/04/47/819130447.db2.gz UDJDROWLRFAAGK-MNOVXSKESA-N 1 1 264.319 3.457 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2c(F)cc(C#N)cc2F)[C@@H](C)C1 ZINC001235659247 819130451 /nfs/dbraw/zinc/13/04/51/819130451.db2.gz UDJDROWLRFAAGK-MNOVXSKESA-N 1 1 264.319 3.457 20 30 CGEDMO CC[C@H]1CCC[N@H+]1Cc1c(F)cc(C#N)cc1F ZINC001235656215 819130774 /nfs/dbraw/zinc/13/07/74/819130774.db2.gz ALGVLQNNGOCFRK-NSHDSACASA-N 1 1 250.292 3.211 20 30 CGEDMO CCCCCCC[N@@H+](C)C[C@H]1[C@H](C)CNCC1(F)F ZINC001235663880 819131542 /nfs/dbraw/zinc/13/15/42/819131542.db2.gz XRNAEKZMHAPPFV-KGLIPLIRSA-N 1 1 276.415 3.379 20 30 CGEDMO CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H](C#N)C2)c(O)c1 ZINC001235680194 819139512 /nfs/dbraw/zinc/13/95/12/819139512.db2.gz SZQXCEXBESYKNX-LBPRGKRZSA-N 1 1 258.365 3.035 20 30 CGEDMO CC(C)(C)c1ccc(C[N@H+]2CC[C@@H](C#N)C2)c(O)c1 ZINC001235680194 819139516 /nfs/dbraw/zinc/13/95/16/819139516.db2.gz SZQXCEXBESYKNX-LBPRGKRZSA-N 1 1 258.365 3.035 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@H]1C=CCCC1 ZINC001235775234 819166468 /nfs/dbraw/zinc/16/64/68/819166468.db2.gz BJFJLMUJNLYJKR-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCNCC[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC001235959399 819247727 /nfs/dbraw/zinc/24/77/27/819247727.db2.gz IZFIRGNUXLDAPX-KRWDZBQOSA-N 1 1 258.409 3.032 20 30 CGEDMO C=CCNCC[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC001235959399 819247733 /nfs/dbraw/zinc/24/77/33/819247733.db2.gz IZFIRGNUXLDAPX-KRWDZBQOSA-N 1 1 258.409 3.032 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1c(F)ccc(N)c1F ZINC001236085842 819307791 /nfs/dbraw/zinc/30/77/91/819307791.db2.gz WRSAGHWCJJQOMB-UHFFFAOYSA-N 1 1 254.324 3.335 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCN[C@H](C(F)(F)F)C2)CC1 ZINC001236979775 819639061 /nfs/dbraw/zinc/63/90/61/819639061.db2.gz GICICCIBKJPWGK-KGLIPLIRSA-N 1 1 288.357 3.125 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCN[C@H](C(F)(F)F)C2)CC1 ZINC001236979775 819639063 /nfs/dbraw/zinc/63/90/63/819639063.db2.gz GICICCIBKJPWGK-KGLIPLIRSA-N 1 1 288.357 3.125 20 30 CGEDMO C=CCCCCC[N@H+](C1CCC1)[C@@H]1CCCNC1 ZINC001237146471 819678689 /nfs/dbraw/zinc/67/86/89/819678689.db2.gz RSOSEHIWDNSURM-MRXNPFEDSA-N 1 1 250.430 3.339 20 30 CGEDMO C=CCCCCC[N@@H+](C1CCC1)[C@@H]1CCCNC1 ZINC001237146471 819678690 /nfs/dbraw/zinc/67/86/90/819678690.db2.gz RSOSEHIWDNSURM-MRXNPFEDSA-N 1 1 250.430 3.339 20 30 CGEDMO C[C@H]1CCCC[N@H+]1Cc1cn(C)c2ccc(C#N)cc12 ZINC001237467782 819758782 /nfs/dbraw/zinc/75/87/82/819758782.db2.gz ZHRXPYOJODXXGU-ZDUSSCGKSA-N 1 1 267.376 3.424 20 30 CGEDMO Cn1cc(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c2cc(C#N)ccc21 ZINC001237470321 819759485 /nfs/dbraw/zinc/75/94/85/819759485.db2.gz BHECVNMWCBXQMH-IYBDPMFKSA-N 1 1 279.387 3.138 20 30 CGEDMO N#Cc1cc(C[NH+]2CCCCCC2)c(F)cc1F ZINC001237524102 819769985 /nfs/dbraw/zinc/76/99/85/819769985.db2.gz GAXWEYXSSMGZQM-UHFFFAOYSA-N 1 1 250.292 3.212 20 30 CGEDMO CCC[C@@H]1CCCC[N@H+]1Cc1cn2cc(C#N)ccc2n1 ZINC001237615795 819786430 /nfs/dbraw/zinc/78/64/30/819786430.db2.gz ZIBREZHXMKNFGF-MRXNPFEDSA-N 1 1 282.391 3.361 20 30 CGEDMO CC1(C)[C@@H]2C[N@H+](Cc3ccc(Cl)c(C#N)c3)C[C@@H]21 ZINC001238190294 819950804 /nfs/dbraw/zinc/95/08/04/819950804.db2.gz BYLVLGIZJQAZDL-BETUJISGSA-N 1 1 260.768 3.299 20 30 CGEDMO C[C@]1(CO)CCC[N@@H+](Cc2ccc(Cl)c(C#N)c2)CC1 ZINC001238188615 819950862 /nfs/dbraw/zinc/95/08/62/819950862.db2.gz GLIFBNWUEYFVCQ-INIZCTEOSA-N 1 1 292.810 3.196 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2cncc(C3CC3)c2)CC1 ZINC001238189588 819951299 /nfs/dbraw/zinc/95/12/99/819951299.db2.gz OGANAYMMPANIMR-ZDUSSCGKSA-N 1 1 255.365 3.085 20 30 CGEDMO CO[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(C#N)c2)CC1 ZINC001238192939 819952910 /nfs/dbraw/zinc/95/29/10/819952910.db2.gz WVRFIUIYUQDQPM-AWEZNQCLSA-N 1 1 278.783 3.213 20 30 CGEDMO C#CC[N@H+](C)Cc1cc(C)c(Br)cc1C ZINC001238283130 819969770 /nfs/dbraw/zinc/96/97/70/819969770.db2.gz VFZLZJIWXUAVKE-UHFFFAOYSA-N 1 1 266.182 3.131 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccc(OC)c(O)c1F ZINC001238364026 819980989 /nfs/dbraw/zinc/98/09/89/819980989.db2.gz ORBFPPYXMDPVAX-UHFFFAOYSA-N 1 1 267.344 3.328 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@@H](C#N)CC2)cnc1OC(C)C ZINC001238381082 819982331 /nfs/dbraw/zinc/98/23/31/819982331.db2.gz HJAPMMIBEIBABH-OAHLLOKOSA-N 1 1 287.407 3.303 20 30 CGEDMO Cc1cc(C[NH+]2CCC(C)(C#N)CC2)cnc1OC(C)C ZINC001238380841 819982577 /nfs/dbraw/zinc/98/25/77/819982577.db2.gz GKSMALGTWQFXOA-UHFFFAOYSA-N 1 1 287.407 3.303 20 30 CGEDMO CCc1cc(C[N@H+](C)Cc2cncs2)ccc1C#N ZINC001238768529 820112552 /nfs/dbraw/zinc/11/25/52/820112552.db2.gz KNPKATPBVZZFJO-UHFFFAOYSA-N 1 1 271.389 3.209 20 30 CGEDMO CCc1cc(C[N@@H+](C)Cc2cncs2)ccc1C#N ZINC001238768529 820112556 /nfs/dbraw/zinc/11/25/56/820112556.db2.gz KNPKATPBVZZFJO-UHFFFAOYSA-N 1 1 271.389 3.209 20 30 CGEDMO CCc1cc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)ccc1C#N ZINC001238767323 820113112 /nfs/dbraw/zinc/11/31/12/820113112.db2.gz TVWRMSTYCQMWEM-ROUUACIJSA-N 1 1 284.403 3.122 20 30 CGEDMO N#Cc1c(F)cc(-c2cc(N)c(C(F)(F)F)c[nH+]2)cc1F ZINC001239918510 820697519 /nfs/dbraw/zinc/69/75/19/820697519.db2.gz GFYTZZXSJQPRGN-UHFFFAOYSA-N 1 1 299.202 3.499 20 30 CGEDMO Cc1[nH+]ccn1-c1cncc(-c2ccc(Cl)c(C#N)c2)n1 ZINC001240401311 821022530 /nfs/dbraw/zinc/02/25/30/821022530.db2.gz TVJKGTSMOGAIGB-UHFFFAOYSA-N 1 1 295.733 3.163 20 30 CGEDMO C[N@H+]1CCC=C(c2nc3c(cc2C#N)CCCC3(C)C)C1 ZINC001241569051 821954887 /nfs/dbraw/zinc/95/48/87/821954887.db2.gz QCJRIDUMSQTGPS-UHFFFAOYSA-N 1 1 281.403 3.286 20 30 CGEDMO Cc1cc(N)[nH+]cc1-c1ccc2c(C#N)nccc2c1 ZINC001242095549 822348039 /nfs/dbraw/zinc/34/80/39/822348039.db2.gz JSSVITWANBIDDA-UHFFFAOYSA-N 1 1 260.300 3.059 20 30 CGEDMO C=CCn1cnn(C[N@@H+]2C[C@H](C)CCC[C@H]2C)c1=S ZINC001339479476 936374276 /nfs/dbraw/zinc/37/42/76/936374276.db2.gz INKYMKNXFXDKPR-CHWSQXEVSA-N 1 1 280.441 3.068 20 30 CGEDMO C=CCn1cnn(C[N@H+]2C[C@H](C)CCC[C@H]2C)c1=S ZINC001339479476 936374281 /nfs/dbraw/zinc/37/42/81/936374281.db2.gz INKYMKNXFXDKPR-CHWSQXEVSA-N 1 1 280.441 3.068 20 30 CGEDMO CC(C)[C@H](C)[N@@H+](C)Cc1cc(C#N)ccc1N(C)C ZINC001474364966 937854518 /nfs/dbraw/zinc/85/45/18/937854518.db2.gz QXDZSHHVKPMNGX-ZDUSSCGKSA-N 1 1 259.397 3.101 20 30 CGEDMO C=CCn1cnn(C[N@H+]2CCC[C@H]2[C@@H](C)CCC)c1=S ZINC001340590748 936408676 /nfs/dbraw/zinc/40/86/76/936408676.db2.gz UNAOPITTXVYQMX-KBPBESRZSA-N 1 1 294.468 3.458 20 30 CGEDMO C=CCn1cnn(C[N@@H+]2CCC[C@H]2[C@@H](C)CCC)c1=S ZINC001340590748 936408677 /nfs/dbraw/zinc/40/86/77/936408677.db2.gz UNAOPITTXVYQMX-KBPBESRZSA-N 1 1 294.468 3.458 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)c1 ZINC001341122168 936428722 /nfs/dbraw/zinc/42/87/22/936428722.db2.gz STUOUHSZRKANNC-AWEZNQCLSA-N 1 1 299.324 3.221 20 30 CGEDMO N#Cc1cncc(C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)c1 ZINC001341122168 936428723 /nfs/dbraw/zinc/42/87/23/936428723.db2.gz STUOUHSZRKANNC-AWEZNQCLSA-N 1 1 299.324 3.221 20 30 CGEDMO C=CCC[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H]2C[C@H](C)C[N@@H+]2C1 ZINC001348022211 936907422 /nfs/dbraw/zinc/90/74/22/936907422.db2.gz ATIRFOLXZNMRGK-HZMVEIRTSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](CCO[C@@H](CC)c2ccccc2)C1 ZINC001349499690 936950549 /nfs/dbraw/zinc/95/05/49/936950549.db2.gz YUDGQXGYKAWUCH-MSOLQXFVSA-N 1 1 289.419 3.431 20 30 CGEDMO COc1ccc(C[C@@H](C)[N@@H+](C)C[C@@H](C)CCC#N)cc1 ZINC001349595660 936953257 /nfs/dbraw/zinc/95/32/57/936953257.db2.gz CLUAUPYMIXGJJI-LSDHHAIUSA-N 1 1 274.408 3.498 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](C[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC001349646789 936955222 /nfs/dbraw/zinc/95/52/22/936955222.db2.gz OGNSOWQWQLAIQM-KZNAEPCWSA-N 1 1 287.403 3.184 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](CN2C(=O)C[C@H]2Cc2ccccc2)C1 ZINC001350480700 936992339 /nfs/dbraw/zinc/99/23/39/936992339.db2.gz YIWLSEZGCASJAW-QZTJIDSGSA-N 1 1 298.430 3.076 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)C2CC=CC2)C1 ZINC001480074642 937015479 /nfs/dbraw/zinc/01/54/79/937015479.db2.gz MFRXHYQTTIMWOO-INIZCTEOSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCCF ZINC001480371830 937047552 /nfs/dbraw/zinc/04/75/52/937047552.db2.gz GZMHPZYXMHTTOF-JKSUJKDBSA-N 1 1 296.430 3.158 20 30 CGEDMO C#CC[N@@H+](CC1CC1)C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001354452138 937102865 /nfs/dbraw/zinc/10/28/65/937102865.db2.gz CMXSYSWKDVGJDZ-HOTGVXAUSA-N 1 1 275.342 3.381 20 30 CGEDMO C[N@@H+](CCc1ccncc1)Cc1cc(C#N)ccc1Cl ZINC001140601623 926800921 /nfs/dbraw/zinc/80/09/21/926800921.db2.gz VNOYZMDBTSKYBW-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO C=CC[N@@H+](CC)CCNC(=O)c1cccc2c(C)c(C)[nH]c21 ZINC001480983807 926852085 /nfs/dbraw/zinc/85/20/85/926852085.db2.gz NIBZXWQRUUKRFX-UHFFFAOYSA-N 1 1 299.418 3.022 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)c1c(C)cc(C)cc1C ZINC001481015935 926860930 /nfs/dbraw/zinc/86/09/30/926860930.db2.gz UUFLMDNGEPKBQC-UHFFFAOYSA-N 1 1 288.435 3.240 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H]1CNC(=O)CCC1CCC1 ZINC001481034344 926868079 /nfs/dbraw/zinc/86/80/79/926868079.db2.gz ZOEAQTTUUVBLBJ-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1CCC[N@@H+]1CCC(=C)C ZINC001481041905 926870147 /nfs/dbraw/zinc/87/01/47/926870147.db2.gz MEEVEVNALZVHCM-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCC1 ZINC001481055264 926873648 /nfs/dbraw/zinc/87/36/48/926873648.db2.gz CGIUJSSHQGKMOU-WMZOPIPTSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@H]1CC[N@H+](C[C@H](C)CC)C1 ZINC001481112610 926887571 /nfs/dbraw/zinc/88/75/71/926887571.db2.gz LWZCMGQKAHWQDI-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)C=C1CCCCC1 ZINC001481131462 926893772 /nfs/dbraw/zinc/89/37/72/926893772.db2.gz HVGXPLAWSVDRBT-UHFFFAOYSA-N 1 1 278.440 3.281 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)C[C@@H]1C=CCCC1)C(C)C ZINC001481350117 926964162 /nfs/dbraw/zinc/96/41/62/926964162.db2.gz HYHZINOHFFMEGX-MRXNPFEDSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCCC(=O)NCC[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001481443683 926985588 /nfs/dbraw/zinc/98/55/88/926985588.db2.gz FBSCDQXDDZVKBD-QGZVFWFLSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001481448593 926988170 /nfs/dbraw/zinc/98/81/70/926988170.db2.gz ZJTGNTHZUAQZCC-CVEARBPZSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H](C[N@H+](C)C[C@@H](C)CC)C1 ZINC001481488394 927001577 /nfs/dbraw/zinc/00/15/77/927001577.db2.gz RUGRUYNUNCJIPW-JKSUJKDBSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CC1CCN(C(=O)CC2CC2)CC1 ZINC001481508199 927007612 /nfs/dbraw/zinc/00/76/12/927007612.db2.gz AAZYSXXQCOUAFI-OAHLLOKOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+](C)CC1CCN(C(=O)C(C)(C)C2CC2)CC1 ZINC001481517524 927011551 /nfs/dbraw/zinc/01/15/51/927011551.db2.gz MODPLTONFSTEGE-UHFFFAOYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@H+](C)CC1CCN(C(=O)C2(C)CCCC2)CC1 ZINC001481516806 927011583 /nfs/dbraw/zinc/01/15/83/927011583.db2.gz MXUNJVQZQNOQFL-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C[C@@H](COC)[NH2+]Cc1csc(-c2ccsc2)n1 ZINC001342734594 927023227 /nfs/dbraw/zinc/02/32/27/927023227.db2.gz ZTQQQGDQTMWLEC-NSHDSACASA-N 1 1 280.418 3.162 20 30 CGEDMO C=CC(C)(C)CC(=O)NC1C[NH+](CCCC2CCCC2)C1 ZINC001481560801 927026405 /nfs/dbraw/zinc/02/64/05/927026405.db2.gz YBEYMEWIHCDFDR-UHFFFAOYSA-N 1 1 292.467 3.360 20 30 CGEDMO Cc1c[nH+]c(N[C@H]2CC[C@H](C#N)CC2)c([Si](C)(C)C)c1 ZINC001167842108 927030710 /nfs/dbraw/zinc/03/07/10/927030710.db2.gz FVKFWRYUDLBDBM-HDJSIYSDSA-N 1 1 287.483 3.430 20 30 CGEDMO C=CC(C)(C)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC(C)(C)C ZINC001481670130 927050701 /nfs/dbraw/zinc/05/07/01/927050701.db2.gz DGNDTKZWMHLVBO-GJZGRUSLSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCCC ZINC001481675409 927053022 /nfs/dbraw/zinc/05/30/22/927053022.db2.gz MXIPRUMLDPVCCD-GJZGRUSLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[N@H+](CC/C=C/CC)C2)CC1 ZINC001481693032 927060508 /nfs/dbraw/zinc/06/05/08/927060508.db2.gz UUEGNPULLHAERO-BDUNBXCCSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001481692854 927061816 /nfs/dbraw/zinc/06/18/16/927061816.db2.gz ZXKQIZFMCSPOKG-FUHWJXTLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)C2(C)CCCCC2)C1 ZINC001481705206 927067790 /nfs/dbraw/zinc/06/77/90/927067790.db2.gz IJQQSQNKXLGZJZ-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001481747729 927079219 /nfs/dbraw/zinc/07/92/19/927079219.db2.gz RPKJPCWWWUUEKT-HOTGVXAUSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[C@@H]2C)C1 ZINC001481772698 927086545 /nfs/dbraw/zinc/08/65/45/927086545.db2.gz ZESCWDMRVTWURU-ULQDDVLXSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)CC[C@H](C)CC)C1 ZINC001481778288 927087550 /nfs/dbraw/zinc/08/75/50/927087550.db2.gz UJVGTHNFOYEOOQ-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](CC)CCC)CC2 ZINC001482072207 927141126 /nfs/dbraw/zinc/14/11/26/927141126.db2.gz UVTCLWBQIVELJL-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C#CCCCCCC[N@H+](C)[C@@H](CO)c1ccccc1 ZINC001307452091 927172150 /nfs/dbraw/zinc/17/21/50/927172150.db2.gz IDPZKNGBBKYSSR-KRWDZBQOSA-N 1 1 259.393 3.236 20 30 CGEDMO C=CCC[N@H+](C)CCC1CCN(C(=O)/C=C(/C)CC)CC1 ZINC001482504865 927271652 /nfs/dbraw/zinc/27/16/52/927271652.db2.gz UIPHNGSVYZDJKX-NXVVXOECSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCCC(=O)N[C@H](C)C[N@@H+](C)CCC1=CCCCC1 ZINC001483321440 927482283 /nfs/dbraw/zinc/48/22/83/927482283.db2.gz ZHZQLUNDAGYOQX-OAHLLOKOSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)c1ccoc1CC ZINC001483330829 927483987 /nfs/dbraw/zinc/48/39/87/927483987.db2.gz HPPXVYGRUIVULW-UONOGXRCSA-N 1 1 292.423 3.247 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)C(C)(C)C(=C)C ZINC001483368627 927490228 /nfs/dbraw/zinc/49/02/28/927490228.db2.gz DBILCZNOFCJHTE-LSDHHAIUSA-N 1 1 280.456 3.380 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001483388541 927495955 /nfs/dbraw/zinc/49/59/55/927495955.db2.gz MRILRQWFVKCBIR-NCOADZHNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)CCCC(F)(F)F ZINC001483386518 927496440 /nfs/dbraw/zinc/49/64/40/927496440.db2.gz FYTYETWISDBXDI-GFCCVEGCSA-N 1 1 294.361 3.122 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H]1CC[N@H+]1CC1CC2(CCC2)C1 ZINC001483654011 927560813 /nfs/dbraw/zinc/56/08/13/927560813.db2.gz VGCXEJYVEUFYRY-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCCCC(=O)N1CCC([N@@H+](CCC)CC2CC2)CC1 ZINC001483817780 927624250 /nfs/dbraw/zinc/62/42/50/927624250.db2.gz YVSROZXCULURKM-UHFFFAOYSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCCC)C1 ZINC001483803050 927625325 /nfs/dbraw/zinc/62/53/25/927625325.db2.gz YSWHDNZARKPBQY-SJORKVTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@]2(CCN(C(=O)CCC)C2)C1 ZINC001483837445 927633977 /nfs/dbraw/zinc/63/39/77/927633977.db2.gz HJBVDSXLXSGJTB-RDJZCZTQSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@H](C)CC)C2)C1 ZINC001483838830 927634269 /nfs/dbraw/zinc/63/42/69/927634269.db2.gz MNBQIEUAYWZHAX-SJLPKXTDSA-N 1 1 292.467 3.313 20 30 CGEDMO C#CCCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC ZINC001484018047 927662198 /nfs/dbraw/zinc/66/21/98/927662198.db2.gz OCWJXSNWKWKOQA-SJORKVTESA-N 1 1 290.451 3.045 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(C)s2)C1 ZINC001484026112 927663701 /nfs/dbraw/zinc/66/37/01/927663701.db2.gz BMXFBGZQEXIZMI-MRXNPFEDSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C)s2)C1 ZINC001484026111 927664071 /nfs/dbraw/zinc/66/40/71/927664071.db2.gz BMXFBGZQEXIZMI-INIZCTEOSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)CCCC[C@H](C)CC)C1 ZINC001484045308 927666641 /nfs/dbraw/zinc/66/66/41/927666641.db2.gz PUOZJAPMRPSILI-NVXWUHKLSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@H](CC)CCCCC)C1 ZINC001484070083 927668868 /nfs/dbraw/zinc/66/88/68/927668868.db2.gz BRHKHSNBLDFMFV-WBVHZDCISA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@]1(C)CCC[N@@H+](CCC2CC2)C1 ZINC001484162283 927684310 /nfs/dbraw/zinc/68/43/10/927684310.db2.gz ZAUMOSRSFWACOE-GOSISDBHSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCC ZINC001484456134 927706232 /nfs/dbraw/zinc/70/62/32/927706232.db2.gz LPEYGUATTHBIDX-CVEARBPZSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC(C)C ZINC001484460629 927708368 /nfs/dbraw/zinc/70/83/68/927708368.db2.gz PXYOAGXANAYOQZ-HOTGVXAUSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CCC1CC1 ZINC001484464308 927710595 /nfs/dbraw/zinc/71/05/95/927710595.db2.gz UMUGGWNKPSAPHE-IAGOWNOFSA-N 1 1 290.451 3.208 20 30 CGEDMO C#CCCCC(=O)N[C@H]1CCC[N@H+](CCCCCC)CC1 ZINC001484714480 927740317 /nfs/dbraw/zinc/74/03/17/927740317.db2.gz VYGFVEMVDKXYCT-KRWDZBQOSA-N 1 1 292.467 3.341 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)F)C2 ZINC001484823420 927759472 /nfs/dbraw/zinc/75/94/72/927759472.db2.gz CJSJMNQWHLXAHE-KRWDZBQOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[N@H+](CCC(=C)C)CC1(C)C ZINC001484938454 927773641 /nfs/dbraw/zinc/77/36/41/927773641.db2.gz BTAKOLVANBBAAH-OAHLLOKOSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)CCC2(C)CC2)C(C)(C)C1 ZINC001484939579 927774804 /nfs/dbraw/zinc/77/48/04/927774804.db2.gz CAQLHEQPEYCMMB-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[N@H+](CC(=C)Cl)[C@@H](C)C1 ZINC001484976026 927780809 /nfs/dbraw/zinc/78/08/09/927780809.db2.gz KNGHCAPCRKWOIR-UONOGXRCSA-N 1 1 284.831 3.064 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[N@@H+](CC(=C)Cl)[C@@H](C)C1 ZINC001484976026 927780818 /nfs/dbraw/zinc/78/08/18/927780818.db2.gz KNGHCAPCRKWOIR-UONOGXRCSA-N 1 1 284.831 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CC2(C)CC2)C[C@@H]1C ZINC001484978983 927784578 /nfs/dbraw/zinc/78/45/78/927784578.db2.gz LNTBJSTZBOBPIC-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@H+](CC)CC1CCN(C(=O)C[C@@H](C)C2CC2)CC1 ZINC001485034027 927792161 /nfs/dbraw/zinc/79/21/61/927792161.db2.gz BTGGIFBTCLJIBO-OAHLLOKOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC2(CC2)C1 ZINC001485057798 927800520 /nfs/dbraw/zinc/80/05/20/927800520.db2.gz ZWQLDQZBVOSSHZ-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)c1ccc(Cl)s1 ZINC001485381629 927859691 /nfs/dbraw/zinc/85/96/91/927859691.db2.gz OMDGNAIINYPIJA-SNVBAGLBSA-N 1 1 286.828 3.028 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1CCCCC[N@H+]1CCCF ZINC001485477535 927874486 /nfs/dbraw/zinc/87/44/86/927874486.db2.gz UFTZMJZZDADWOL-HNNXBMFYSA-N 1 1 298.446 3.309 20 30 CGEDMO C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](C)CCCC ZINC001485477312 927876357 /nfs/dbraw/zinc/87/63/57/927876357.db2.gz RPQGCBRXFDDQGX-SJORKVTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2(C)CCC2)C(C)(C)C1 ZINC001485574673 927893804 /nfs/dbraw/zinc/89/38/04/927893804.db2.gz WDURXQXEABPUHW-HUUCEWRRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CCC(=O)N1CCC([N@H+](C)CCCC)CC1 ZINC001485758821 927911775 /nfs/dbraw/zinc/91/17/75/927911775.db2.gz XZDURFOKZUUIBI-UHFFFAOYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@]2(NC(=O)C(C)C)CCC[C@H]12 ZINC001486142764 927988571 /nfs/dbraw/zinc/98/85/71/927988571.db2.gz ZFKJEIMRUDEGMO-YQQAZPJKSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCCCC(=O)NCC1=CC[N@@H+](C[C@H](C)CC)CC1 ZINC001486514506 928031454 /nfs/dbraw/zinc/03/14/54/928031454.db2.gz YIKWFGJPFLIDOF-OAHLLOKOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC1CCCC1 ZINC001230671221 928071080 /nfs/dbraw/zinc/07/10/80/928071080.db2.gz MNDAZLYHKJNCRB-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC(C)(C)CC(=O)N(C)C1C[NH+](CC/C=C/CCC)C1 ZINC001323931298 928084156 /nfs/dbraw/zinc/08/41/56/928084156.db2.gz NMLHWIKNFFKHIP-MDZDMXLPSA-N 1 1 292.467 3.478 20 30 CGEDMO Cc1cc2cc[nH+]c(NCc3ccc(C#N)s3)c2[nH]1 ZINC001170200168 928119421 /nfs/dbraw/zinc/11/94/21/928119421.db2.gz BCDKLMGUFFENLO-UHFFFAOYSA-N 1 1 268.345 3.417 20 30 CGEDMO C[C@H](CCCC#N)[N@@H+](CCN)C12CC3CC(CC(C3)C1)C2 ZINC001172485055 928222052 /nfs/dbraw/zinc/22/20/52/928222052.db2.gz LFCBWQNMYJFNHC-CZVCLPBNSA-N 1 1 289.467 3.298 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](C)CCC=C(C)C ZINC001488663265 928292517 /nfs/dbraw/zinc/29/25/17/928292517.db2.gz NQGDVAAEHVVOTD-DLBZAZTESA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@](C)(C=C)CC)[C@H]1C ZINC001489288979 928325394 /nfs/dbraw/zinc/32/53/94/928325394.db2.gz PLTWUBNWVZCADB-HLLBOEOZSA-N 1 1 278.440 3.134 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)CCCCCC)[C@H]1C ZINC001489300725 928326191 /nfs/dbraw/zinc/32/61/91/928326191.db2.gz MQUKMMRMFFVYRF-BBWFWOEESA-N 1 1 292.467 3.195 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](F)C(C)C)CC(C)(C)C1 ZINC001489348277 928326982 /nfs/dbraw/zinc/32/69/82/928326982.db2.gz UNYAURVQFVUXQJ-GJZGRUSLSA-N 1 1 298.446 3.163 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC1(C)C ZINC001489327961 928327246 /nfs/dbraw/zinc/32/72/46/928327246.db2.gz OCAHNPSNEAXKAL-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+](C)CCCNC(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC001490256369 928340350 /nfs/dbraw/zinc/34/03/50/928340350.db2.gz YELGOCUPFYTRKV-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@@H+](C)CCCNC(=O)C(C)(C)CC(C)(C)C ZINC001490281964 928342152 /nfs/dbraw/zinc/34/21/52/928342152.db2.gz WISKOCFJBHWCLG-UHFFFAOYSA-N 1 1 282.472 3.463 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](CCCc2ccc(F)c(F)c2)C1 ZINC001561003321 937239030 /nfs/dbraw/zinc/23/90/30/937239030.db2.gz BQBUGWQEAJXXDC-ZDUSSCGKSA-N 1 1 264.319 3.133 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](CCCc2ccc(F)c(F)c2)C1 ZINC001561003321 937239033 /nfs/dbraw/zinc/23/90/33/937239033.db2.gz BQBUGWQEAJXXDC-ZDUSSCGKSA-N 1 1 264.319 3.133 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)CC2(C)CC2)C1 ZINC001490442430 928360362 /nfs/dbraw/zinc/36/03/62/928360362.db2.gz DBKNXMPFRIEMOJ-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)C=C2CCCCC2)C1 ZINC001490751535 928383864 /nfs/dbraw/zinc/38/38/64/928383864.db2.gz GKAMEHLWLUIYLK-QGZVFWFLSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCN(C(=O)C2(C)CCC2)C1 ZINC001490767869 928385463 /nfs/dbraw/zinc/38/54/63/928385463.db2.gz GGFNDCOQUAWWEK-CQSZACIVSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H](C[N@@H+](C)C/C=C/Cl)C1 ZINC001490758558 928386821 /nfs/dbraw/zinc/38/68/21/928386821.db2.gz JJBXQWQWBCALKA-BOSPYUDASA-N 1 1 298.858 3.266 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CC1 ZINC001490792902 928389343 /nfs/dbraw/zinc/38/93/43/928389343.db2.gz ODPLTYNRCZILOL-IYBDPMFKSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCNC(=O)c1cccc(C(F)F)c1 ZINC001492824358 937242053 /nfs/dbraw/zinc/24/20/53/937242053.db2.gz DFWXPOMMEVFEEZ-UHFFFAOYSA-N 1 1 296.361 3.252 20 30 CGEDMO C=C1CC(C)(C(=O)N(C)[C@@H]2CC[N@H+](CCCCC)C2)C1 ZINC001318426593 928435901 /nfs/dbraw/zinc/43/59/01/928435901.db2.gz AJSYDZQBOMTELJ-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)C[C@H]1CCC[C@@H]1C ZINC001319998827 928487328 /nfs/dbraw/zinc/48/73/28/928487328.db2.gz DHOIRMZOXFOSHE-JKSUJKDBSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC1(C(=O)Nc2cc(C)[nH+]c(C)c2)CCCC1 ZINC001435792540 937268048 /nfs/dbraw/zinc/26/80/48/937268048.db2.gz APDFTCSMTKXEFU-UHFFFAOYSA-N 1 1 258.365 3.195 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]2C[N@@H+](CCCC)CC[C@@H]21 ZINC001490983434 928822697 /nfs/dbraw/zinc/82/26/97/928822697.db2.gz GBQDEGHNYLAEMW-HOTGVXAUSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H](C)F ZINC001490974683 928822887 /nfs/dbraw/zinc/82/28/87/928822887.db2.gz MWRXZHPFQYMEIO-FFHGMXDLSA-N 1 1 296.430 3.058 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H](F)CC ZINC001491209317 928844358 /nfs/dbraw/zinc/84/43/58/928844358.db2.gz BNEJDIDNSLCFAS-CABCVRRESA-N 1 1 284.419 3.062 20 30 CGEDMO CCCCCCC[C@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001441959123 937340053 /nfs/dbraw/zinc/34/00/53/937340053.db2.gz OPOOBTYKBXIZCQ-JKSUJKDBSA-N 1 1 282.472 3.441 20 30 CGEDMO C=CC[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001453351611 937402317 /nfs/dbraw/zinc/40/23/17/937402317.db2.gz YWMDBDQSPZMZKT-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[N@@H+](C2CCCC2)[C@@H](C)C1 ZINC001455690544 937419945 /nfs/dbraw/zinc/41/99/45/937419945.db2.gz RVAWBMNCMGICMQ-HNNXBMFYSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C1CC[NH+]([C@@H](CC)C(=O)N(C)c2ccc(C)cc2)CC1 ZINC001459459797 937488882 /nfs/dbraw/zinc/48/88/82/937488882.db2.gz XCPAKZWHUCHRPN-KRWDZBQOSA-N 1 1 286.419 3.388 20 30 CGEDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001459601214 937493072 /nfs/dbraw/zinc/49/30/72/937493072.db2.gz BYXCDDRRDXBBQX-HOTGVXAUSA-N 1 1 292.810 3.337 20 30 CGEDMO C=C(CC)C[N@@H+]1CCC[C@]1(CCC)C(=O)OCC ZINC001460041868 937510841 /nfs/dbraw/zinc/51/08/41/937510841.db2.gz WNUSBJAZRIAFJB-OAHLLOKOSA-N 1 1 253.386 3.150 20 30 CGEDMO C=CCN(C)CC[N@@H+](CC)CCOC1CCCCCC1 ZINC001460031818 937511699 /nfs/dbraw/zinc/51/16/99/937511699.db2.gz KVWVMLXPEKVWIE-UHFFFAOYSA-N 1 1 282.472 3.166 20 30 CGEDMO C=CC[N@@H+](C)CCN(CC)CCOC1CCCCCC1 ZINC001460031818 937511701 /nfs/dbraw/zinc/51/17/01/937511701.db2.gz KVWVMLXPEKVWIE-UHFFFAOYSA-N 1 1 282.472 3.166 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)CCOC1CCCCCC1 ZINC001460031818 937511704 /nfs/dbraw/zinc/51/17/04/937511704.db2.gz KVWVMLXPEKVWIE-UHFFFAOYSA-N 1 1 282.472 3.166 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](C[C@](C)(O)c2ccc(F)cc2)C1 ZINC001460359598 937528353 /nfs/dbraw/zinc/52/83/53/937528353.db2.gz HELROXNRAFBSOJ-YOEHRIQHSA-N 1 1 277.383 3.321 20 30 CGEDMO N#Cc1cccc([C@@H](O)C[N@H+]2CC[C@H](C3CCCCC3)C2)c1 ZINC001460369153 937529159 /nfs/dbraw/zinc/52/91/59/937529159.db2.gz RTWHCLRGEOXOIC-OALUTQOASA-N 1 1 298.430 3.494 20 30 CGEDMO N#Cc1ccc2[nH]cc(C[N@@H+]3CC[C@]4(CC4(F)F)C3)c2c1 ZINC001140115177 931955564 /nfs/dbraw/zinc/95/55/64/931955564.db2.gz PJFGPSOLMHMVRS-HNNXBMFYSA-N 1 1 287.313 3.271 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)C2(CC2)C1 ZINC001140116391 931955889 /nfs/dbraw/zinc/95/58/89/931955889.db2.gz WXMAHEYQRSKMIW-LBPRGKRZSA-N 1 1 265.360 3.414 20 30 CGEDMO CCC[N@H+](CCCN(C)C)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140116973 931956270 /nfs/dbraw/zinc/95/62/70/931956270.db2.gz JNZOTSSOYHNKBS-UHFFFAOYSA-N 1 1 298.434 3.203 20 30 CGEDMO CCC[N@@H+](CCCN(C)C)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140116973 931956277 /nfs/dbraw/zinc/95/62/77/931956277.db2.gz JNZOTSSOYHNKBS-UHFFFAOYSA-N 1 1 298.434 3.203 20 30 CGEDMO C=CCCC[N@H+](CC)CCOc1cccc(C(=O)OC)c1 ZINC001460902024 937551723 /nfs/dbraw/zinc/55/17/23/937551723.db2.gz RKEKMKHNGNPHPR-UHFFFAOYSA-N 1 1 291.391 3.140 20 30 CGEDMO CCCO[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2Cl)C1 ZINC001140600942 931958789 /nfs/dbraw/zinc/95/87/89/931958789.db2.gz BGIWNBZFUYQSQS-CQSZACIVSA-N 1 1 278.783 3.213 20 30 CGEDMO CCCO[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2Cl)C1 ZINC001140600942 931958793 /nfs/dbraw/zinc/95/87/93/931958793.db2.gz BGIWNBZFUYQSQS-CQSZACIVSA-N 1 1 278.783 3.213 20 30 CGEDMO Cc1[nH+]ccn1CCNc1ccc(-c2ccc(C#N)o2)cc1 ZINC001163922978 931993995 /nfs/dbraw/zinc/99/39/95/931993995.db2.gz BOEWSJOISVLRAZ-UHFFFAOYSA-N 1 1 292.342 3.435 20 30 CGEDMO CC[N@@H+](C)[C@@H]1CCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC001460986803 937557670 /nfs/dbraw/zinc/55/76/70/937557670.db2.gz GTNRIGVHXAMFRG-MRXNPFEDSA-N 1 1 285.435 3.014 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC001461232358 937571020 /nfs/dbraw/zinc/57/10/20/937571020.db2.gz PBKAPCJBHJLCIA-UHFFFAOYSA-N 1 1 265.662 3.269 20 30 CGEDMO C=CC(C)(C)CCC[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC001461733278 937594303 /nfs/dbraw/zinc/59/43/03/937594303.db2.gz GZDWWUCQELVKTO-CQSZACIVSA-N 1 1 252.446 3.441 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cnc2c(cnn2C)c1 ZINC001461886368 937603872 /nfs/dbraw/zinc/60/38/72/937603872.db2.gz DMCGRPNBSRUXQP-UHFFFAOYSA-N 1 1 292.386 3.157 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cc2c(cn1)OCCO2 ZINC001461963733 937609417 /nfs/dbraw/zinc/60/94/17/937609417.db2.gz WIPROCXYMKJGOC-UHFFFAOYSA-N 1 1 276.380 3.031 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCCC)CC1 ZINC001230513309 932580277 /nfs/dbraw/zinc/58/02/77/932580277.db2.gz PPJHTUVHAMPRBQ-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C[C@@H](CC(C)(C)S)Oc1ccc2[nH+]c(N)[nH]c2c1 ZINC001230518813 932582993 /nfs/dbraw/zinc/58/29/93/932582993.db2.gz UEVLVXWERFDHKP-QMMMGPOBSA-N 1 1 265.382 3.011 20 30 CGEDMO C=CCCC(=O)N1CCC([C@@H]2CCC[N@@H+]2CCCF)CC1 ZINC001230533239 932585428 /nfs/dbraw/zinc/58/54/28/932585428.db2.gz JAUUWQYUCLMSGQ-INIZCTEOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CCC1 ZINC001230556982 932588494 /nfs/dbraw/zinc/58/84/94/932588494.db2.gz QMKZJJZYDBLVSG-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CSCCC ZINC001230923312 932642955 /nfs/dbraw/zinc/64/29/55/932642955.db2.gz BQKXNMAWWFNLLT-GJZGRUSLSA-N 1 1 298.496 3.017 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)CCC1(F)F ZINC001232842254 932683213 /nfs/dbraw/zinc/68/32/13/932683213.db2.gz RBQLUZBASUOFNO-SNVBAGLBSA-N 1 1 270.348 3.487 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1cc(F)cc(F)c1[O-] ZINC001462215981 937626051 /nfs/dbraw/zinc/62/60/51/937626051.db2.gz NQCXGMUNXYGCEB-UHFFFAOYSA-N 1 1 287.309 3.306 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)CCC1(C)CC1 ZINC001316605331 932746571 /nfs/dbraw/zinc/74/65/71/932746571.db2.gz HAXLQMZPTITUTP-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)CC(C)C ZINC001317177508 932783528 /nfs/dbraw/zinc/78/35/28/932783528.db2.gz UZOAQZFOJKQNKP-INIZCTEOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)CC=C(C)C)C1 ZINC001491942885 932797645 /nfs/dbraw/zinc/79/76/45/932797645.db2.gz HXVPBSUVBRTZPK-MRXNPFEDSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](CC)CC(C)C)C1 ZINC001491959154 932799373 /nfs/dbraw/zinc/79/93/73/932799373.db2.gz JWZNRZJVFNCGKV-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](CC)CC(C)C)C1 ZINC001491959152 932799963 /nfs/dbraw/zinc/79/99/63/932799963.db2.gz JWZNRZJVFNCGKV-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C(C)(C)CC(C)C ZINC001492175808 932808902 /nfs/dbraw/zinc/80/89/02/932808902.db2.gz LTCQVERNVRIYTO-INIZCTEOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCNC(=O)[C@@H]1CCC=CCCC1 ZINC001492298509 932814440 /nfs/dbraw/zinc/81/44/40/932814440.db2.gz FURRTLZNPUYMBK-MRXNPFEDSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C(C)=C2CCC2)[C@H]1CC ZINC001316731302 932836692 /nfs/dbraw/zinc/83/66/92/932836692.db2.gz XHPJVALGTFRZNL-DLBZAZTESA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)C2(C)CC2)C1 ZINC001317374221 932859774 /nfs/dbraw/zinc/85/97/74/932859774.db2.gz BSMWZFBSTSITHE-LSDHHAIUSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)c2cc(C)oc2C)C1 ZINC001317373455 932861318 /nfs/dbraw/zinc/86/13/18/932861318.db2.gz DGNKUXUFWPHTND-HNNXBMFYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)CC(C)C)[C@H]1CC ZINC001316739845 932878160 /nfs/dbraw/zinc/87/81/60/932878160.db2.gz VSAATAFRQKVQMP-OWCLPIDISA-N 1 1 280.456 3.214 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC001462461617 937642849 /nfs/dbraw/zinc/64/28/49/937642849.db2.gz PKKTWUGUUYRHTD-AWEZNQCLSA-N 1 1 257.377 3.410 20 30 CGEDMO CCC#C[C@H](C)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001307476956 932957409 /nfs/dbraw/zinc/95/74/09/932957409.db2.gz IKYZLDVCXNBKEN-KSZLIROESA-N 1 1 276.468 3.375 20 30 CGEDMO C=C(C)C[N@H+](C)CCNC(=O)c1ccc([C@H](C)CC)cc1 ZINC001317471795 932962723 /nfs/dbraw/zinc/96/27/23/932962723.db2.gz PIYXGQKRXYLKQW-OAHLLOKOSA-N 1 1 288.435 3.438 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001307751889 932995808 /nfs/dbraw/zinc/99/58/08/932995808.db2.gz BKCFPAHCBOZMNQ-MUJYYYPQSA-N 1 1 275.342 3.413 20 30 CGEDMO C=C(CC)C[N@H+]([C@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC001307833877 933006796 /nfs/dbraw/zinc/00/67/96/933006796.db2.gz UAOAZWHEKLROHL-GFCCVEGCSA-N 1 1 253.386 3.147 20 30 CGEDMO C=C(CC)C[N@@H+]([C@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC001307833877 933006801 /nfs/dbraw/zinc/00/68/01/933006801.db2.gz UAOAZWHEKLROHL-GFCCVEGCSA-N 1 1 253.386 3.147 20 30 CGEDMO C=CC[N@H+](Cc1cccc2c1OC(F)(F)O2)[C@@H](C)COC ZINC001307924195 933022683 /nfs/dbraw/zinc/02/26/83/933022683.db2.gz OOLARSDIWUPBCZ-NSHDSACASA-N 1 1 299.317 3.031 20 30 CGEDMO C=CC[N@@H+](Cc1cccc2c1OC(F)(F)O2)[C@@H](C)COC ZINC001307924195 933022688 /nfs/dbraw/zinc/02/26/88/933022688.db2.gz OOLARSDIWUPBCZ-NSHDSACASA-N 1 1 299.317 3.031 20 30 CGEDMO C=CC[N@H+](C[C@@H]1Cc2cc(OC)ccc2O1)C(C)(C)C ZINC001307939819 933023937 /nfs/dbraw/zinc/02/39/37/933023937.db2.gz YKRBMHQBAOVQND-HNNXBMFYSA-N 1 1 275.392 3.285 20 30 CGEDMO C[N@H+](Cc1ccc(F)c2cccnc12)[C@H]1CCC[C@H]1C#N ZINC001307994529 933030033 /nfs/dbraw/zinc/03/00/33/933030033.db2.gz PPDWJRCVORQZMM-LRDDRELGSA-N 1 1 283.350 3.498 20 30 CGEDMO C[N@@H+](Cc1ccc(F)c2cccnc12)[C@H]1CCC[C@H]1C#N ZINC001307994529 933030042 /nfs/dbraw/zinc/03/00/42/933030042.db2.gz PPDWJRCVORQZMM-LRDDRELGSA-N 1 1 283.350 3.498 20 30 CGEDMO C[N@H+](C[C@@H]1CC2(CO1)CCCCC2)[C@@H]1CCC[C@H]1C#N ZINC001307994931 933032219 /nfs/dbraw/zinc/03/22/19/933032219.db2.gz ZIFZUGUPCJLVDP-HRCADAONSA-N 1 1 276.424 3.350 20 30 CGEDMO C[N@@H+](C[C@@H]1CC2(CO1)CCCCC2)[C@@H]1CCC[C@H]1C#N ZINC001307994931 933032226 /nfs/dbraw/zinc/03/22/26/933032226.db2.gz ZIFZUGUPCJLVDP-HRCADAONSA-N 1 1 276.424 3.350 20 30 CGEDMO C=C(CC)C[N@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC001308037331 933039571 /nfs/dbraw/zinc/03/95/71/933039571.db2.gz AYAOYQRVLGBMBX-INIZCTEOSA-N 1 1 251.414 3.481 20 30 CGEDMO CCNc1nc(C[NH2+][C@@H](C)c2cccc(C#N)c2)cs1 ZINC001308065979 933043443 /nfs/dbraw/zinc/04/34/43/933043443.db2.gz JSQSONZDQRDGTK-NSHDSACASA-N 1 1 286.404 3.297 20 30 CGEDMO C#CCCCCCC[N@H+](C)Cc1cc(OC)ns1 ZINC001308110150 933049761 /nfs/dbraw/zinc/04/97/61/933049761.db2.gz WPOVZNDANVSLDL-UHFFFAOYSA-N 1 1 266.410 3.167 20 30 CGEDMO C=CCCC[N@H+](CC)[C@@H]1CCc2ccccc2NC1=O ZINC001308134146 933054698 /nfs/dbraw/zinc/05/46/98/933054698.db2.gz NCDHEYWSOQQJOJ-MRXNPFEDSA-N 1 1 272.392 3.228 20 30 CGEDMO C#CC[N@H+](CC1(OC)CCC1)[C@@H]1CCc2ccccc21 ZINC001308634875 933146634 /nfs/dbraw/zinc/14/66/34/933146634.db2.gz OAUFIEWUHSXZLH-QGZVFWFLSA-N 1 1 269.388 3.178 20 30 CGEDMO C=C(C)C[N@H+](CC)CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC001308652922 933150603 /nfs/dbraw/zinc/15/06/03/933150603.db2.gz GUAIFOARIKZENF-UHFFFAOYSA-N 1 1 294.439 3.284 20 30 CGEDMO N#CCC1(O)C[NH+](CC2CCC3(CCCCC3)CC2)C1 ZINC001308708269 933163133 /nfs/dbraw/zinc/16/31/33/933163133.db2.gz ZIKBXGKSIPBRRA-UHFFFAOYSA-N 1 1 276.424 3.087 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cc2ccccc2c(OC)c1 ZINC001308741056 933168471 /nfs/dbraw/zinc/16/84/71/933168471.db2.gz GBTIBOKDIGMDDV-UHFFFAOYSA-N 1 1 285.387 3.483 20 30 CGEDMO C=CC[C@H]([NH2+]C1CCC(C2CCC2)CC1)C(=O)OCC ZINC001308741682 933168953 /nfs/dbraw/zinc/16/89/53/933168953.db2.gz XAXLOVGSVTXWSG-GPANFISMSA-N 1 1 279.424 3.443 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(C2CC2)cc1)C1CSC1 ZINC001308908147 933200534 /nfs/dbraw/zinc/20/05/34/933200534.db2.gz AOWCHIDDJAIEGR-UHFFFAOYSA-N 1 1 257.402 3.115 20 30 CGEDMO CC(C)c1ccc(O)c(C[N@@H+]2CCC[C@H](C#N)C2)c1 ZINC001308935612 933207272 /nfs/dbraw/zinc/20/72/72/933207272.db2.gz QZQKKZVNYCAPAX-CYBMUJFWSA-N 1 1 258.365 3.251 20 30 CGEDMO CC(C)c1ccc(O)c(C[N@H+]2CCC[C@H](C#N)C2)c1 ZINC001308935612 933207278 /nfs/dbraw/zinc/20/72/78/933207278.db2.gz QZQKKZVNYCAPAX-CYBMUJFWSA-N 1 1 258.365 3.251 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCNC(=O)C(C)(C)CC(C)C ZINC001316860747 933245627 /nfs/dbraw/zinc/24/56/27/933245627.db2.gz YDDYIRQGVFDKFH-UHFFFAOYSA-N 1 1 288.863 3.249 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCNC(=O)C(C)(C)CC(C)C ZINC001316860747 933245631 /nfs/dbraw/zinc/24/56/31/933245631.db2.gz YDDYIRQGVFDKFH-UHFFFAOYSA-N 1 1 288.863 3.249 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@H]1CNC(=O)C=C1CCC1 ZINC001317497562 933267481 /nfs/dbraw/zinc/26/74/81/933267481.db2.gz SLTQTPCGXDDBJA-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C=C(CC)CNC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC001311952001 933325231 /nfs/dbraw/zinc/32/52/31/933325231.db2.gz GCCRYXFEMXTOPQ-OAHLLOKOSA-N 1 1 295.471 3.152 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001316977276 933462989 /nfs/dbraw/zinc/46/29/89/933462989.db2.gz GULGSUCAMLECQO-HZPDHXFCSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC001317034393 933467657 /nfs/dbraw/zinc/46/76/57/933467657.db2.gz BTPAKVADBDMQTC-DLBZAZTESA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCCC)C[C@@H]2C1 ZINC001316750351 933478230 /nfs/dbraw/zinc/47/82/30/933478230.db2.gz ZPELCOCLGRNHFJ-ZACQAIPSSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCNC(=O)[C@H]1C[C@]1(C)C(C)C ZINC001316858609 933488179 /nfs/dbraw/zinc/48/81/79/933488179.db2.gz WYAVQTWGNORIOK-NVXWUHKLSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[N@@H+](CC)CCCNC(=O)[C@@]1(C)CC=CCC1 ZINC001316892126 933492733 /nfs/dbraw/zinc/49/27/33/933492733.db2.gz YJTAPDVJONSKKO-KRWDZBQOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)=C1CCC1 ZINC001317042193 933517922 /nfs/dbraw/zinc/51/79/22/933517922.db2.gz IYLFSQONJVOOLX-CALCHBBNSA-N 1 1 288.435 3.128 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)CC)C1 ZINC001317039004 933519376 /nfs/dbraw/zinc/51/93/76/933519376.db2.gz NHPWQDVZUBBXMA-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)C ZINC001317166265 933543983 /nfs/dbraw/zinc/54/39/83/933543983.db2.gz LJOLPWRCHLIMLQ-INIZCTEOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C=C2CCC2)C1 ZINC001317200650 933551571 /nfs/dbraw/zinc/55/15/71/933551571.db2.gz LDTROYLTAVXNIZ-RDJZCZTQSA-N 1 1 290.451 3.280 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)CCC)C1 ZINC001317208843 933554175 /nfs/dbraw/zinc/55/41/75/933554175.db2.gz MCSFJLDVKLNMQX-HOTGVXAUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](CCCF)C1 ZINC001317208489 933554595 /nfs/dbraw/zinc/55/45/95/933554595.db2.gz JYALOEIBTSJVJD-CABCVRRESA-N 1 1 298.446 3.165 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC2(C)CC2)C1 ZINC001317207718 933554868 /nfs/dbraw/zinc/55/48/68/933554868.db2.gz HONUKNSYGVRKOB-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+](CC)CCNC(=O)C[C@H](CC)C(C)(C)C ZINC001317488368 933603453 /nfs/dbraw/zinc/60/34/53/933603453.db2.gz GTBPVMLRNXDCLP-AWEZNQCLSA-N 1 1 268.445 3.073 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)C[C@@H](C)C2CC2)C1 ZINC001317383539 933583025 /nfs/dbraw/zinc/58/30/25/933583025.db2.gz FKVUHXKPQZBHKC-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC1(C)C ZINC001317429517 933591380 /nfs/dbraw/zinc/59/13/80/933591380.db2.gz IVOFRHBIBTZITI-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+](CC)CCNC(=O)c1ccccc1CCC ZINC001317483924 933601534 /nfs/dbraw/zinc/60/15/34/933601534.db2.gz GBDMKTAUQYGMHR-UHFFFAOYSA-N 1 1 288.435 3.267 20 30 CGEDMO C#CCC[N@@H+](CC)CCNC(=O)c1cccc(C2CCC2)c1 ZINC001317490986 933603240 /nfs/dbraw/zinc/60/32/40/933603240.db2.gz NLXRVRNAANZXTE-UHFFFAOYSA-N 1 1 298.430 3.029 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1CCC[N@@H+]1CC(CC)CC ZINC001317501020 933605157 /nfs/dbraw/zinc/60/51/57/933605157.db2.gz DTJMVYDKTZUEIZ-INIZCTEOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001317525694 933610965 /nfs/dbraw/zinc/61/09/65/933610965.db2.gz AQXWCGDSYAUCDH-INIZCTEOSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1CC[N@H+](CC/C=C\CC)C1 ZINC001317520398 933611070 /nfs/dbraw/zinc/61/10/70/933611070.db2.gz MLPHHPASQQMTGX-KJPDOMRESA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H](C)CC)C1 ZINC001317754371 933645395 /nfs/dbraw/zinc/64/53/95/933645395.db2.gz RAQXHZYTHUAWLD-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](CCNC(=O)c2ccoc2)C1 ZINC001317774373 933647452 /nfs/dbraw/zinc/64/74/52/933647452.db2.gz HUAPVVFPISLUJU-GJZGRUSLSA-N 1 1 290.407 3.076 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001317809099 933654137 /nfs/dbraw/zinc/65/41/37/933654137.db2.gz LKMVIEZLQJPQGG-BRWVUGGUSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001317864421 933659526 /nfs/dbraw/zinc/65/95/26/933659526.db2.gz USPVGRDSZCYJSX-AEFFLSMTSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)C/C=C(/C)C=C)C1 ZINC001317979241 933672401 /nfs/dbraw/zinc/67/24/01/933672401.db2.gz BGRYWGNLRQSRAL-VIVNAEHYSA-N 1 1 290.451 3.444 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)/C=C(/C)C2CC2)C1 ZINC001318003030 933674766 /nfs/dbraw/zinc/67/47/66/933674766.db2.gz BHUWIDVFTCWXBB-KAMYIIQDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[NH+]1CC(NC(=O)[C@H](C)[C@H](C)C(C)(C)C)C1 ZINC001318069746 933683837 /nfs/dbraw/zinc/68/38/37/933683837.db2.gz MYBCXUBNTWKEIJ-KGLIPLIRSA-N 1 1 280.456 3.071 20 30 CGEDMO COc1ccc(C[C@@H](C)[N@@H+](C)CCCCC#N)cc1 ZINC001318241928 933698937 /nfs/dbraw/zinc/69/89/37/933698937.db2.gz YPUYRKNLDNNNSQ-CQSZACIVSA-N 1 1 260.381 3.252 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1CC[N@H+](CCCCCC)C1 ZINC001318276771 933704661 /nfs/dbraw/zinc/70/46/61/933704661.db2.gz SHOVQWRZXXINLA-RDJZCZTQSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@](C)(CC)CCCCC)C1 ZINC001318309560 933709289 /nfs/dbraw/zinc/70/92/89/933709289.db2.gz UUXHPAAMVRGGKW-FUHWJXTLSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CCCC)C1 ZINC001318389664 933714496 /nfs/dbraw/zinc/71/44/96/933714496.db2.gz QPEKTYZYBGNKEL-LSDHHAIUSA-N 1 1 266.429 3.064 20 30 CGEDMO C#CC[N@H+](Cc1cccc(OC(F)F)c1)CC1CC1 ZINC001319731668 933922708 /nfs/dbraw/zinc/92/27/08/933922708.db2.gz YWEQJPTWQQGESM-UHFFFAOYSA-N 1 1 265.303 3.133 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)c1cc(C)sc1C ZINC001320016305 933979308 /nfs/dbraw/zinc/97/93/08/933979308.db2.gz MVTLSJNWPWYZFV-UHFFFAOYSA-N 1 1 294.464 3.335 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](CCCOc2cc(C)ccc2C)C1 ZINC001320039122 933985543 /nfs/dbraw/zinc/98/55/43/933985543.db2.gz XUUSIPHASROYGX-KRWDZBQOSA-N 1 1 289.419 3.349 20 30 CGEDMO C=CCC(C)(C)C(=O)N(C)CC[N@@H+](C)CCC(C)(C)C ZINC001320054344 933988925 /nfs/dbraw/zinc/98/89/25/933988925.db2.gz GBNBVPORKAZTTI-UHFFFAOYSA-N 1 1 282.472 3.415 20 30 CGEDMO C=CCO[C@H]1CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC001320160833 934011149 /nfs/dbraw/zinc/01/11/49/934011149.db2.gz RWTPYJCJGSDIRC-ZFWWWQNUSA-N 1 1 290.363 3.241 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001320321610 934030400 /nfs/dbraw/zinc/03/04/00/934030400.db2.gz NYKDUVVQHQFTAC-GFCCVEGCSA-N 1 1 296.754 3.025 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001320321610 934030401 /nfs/dbraw/zinc/03/04/01/934030401.db2.gz NYKDUVVQHQFTAC-GFCCVEGCSA-N 1 1 296.754 3.025 20 30 CGEDMO C=CC[C@H]([NH2+][C@H](C)C1CCC(F)(F)CC1)C(=O)OCC ZINC001321202684 934162510 /nfs/dbraw/zinc/16/25/10/934162510.db2.gz OKXOGOUSLQAZNX-YPMHNXCESA-N 1 1 289.366 3.298 20 30 CGEDMO C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001470075162 937747623 /nfs/dbraw/zinc/74/76/23/937747623.db2.gz UVPCLHMFYXWUKL-IXDOHACOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@H](C)NC(=O)/C=C\c1ccco1 ZINC001322103594 934242179 /nfs/dbraw/zinc/24/21/79/934242179.db2.gz JWOQVAGXLURRJP-PBARLCFESA-N 1 1 290.407 3.084 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)c1ccccc1C ZINC001322110684 934244435 /nfs/dbraw/zinc/24/44/35/934244435.db2.gz OXEQTYKMOUZVLX-HNNXBMFYSA-N 1 1 274.408 3.011 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1CC[N@@H+]1CC(CC)CC ZINC001323279532 934380310 /nfs/dbraw/zinc/38/03/10/934380310.db2.gz VROGDZLQPIPRJS-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC001323727906 934422166 /nfs/dbraw/zinc/42/21/66/934422166.db2.gz JPBJXDMGMADDNA-HNNXBMFYSA-N 1 1 284.359 3.119 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC001323727906 934422172 /nfs/dbraw/zinc/42/21/72/934422172.db2.gz JPBJXDMGMADDNA-HNNXBMFYSA-N 1 1 284.359 3.119 20 30 CGEDMO CCCC[C@H](ON=C(C)C)C(=O)Nc1cc(C)[nH+]c(C)c1 ZINC001323846959 934431781 /nfs/dbraw/zinc/43/17/81/934431781.db2.gz NCKJKOFSCVKDHS-HNNXBMFYSA-N 1 1 291.395 3.030 20 30 CGEDMO CC(C)C#CC(=O)N[C@]1(C)CC[N@@H+](CCCC(C)(C)C)C1 ZINC001324616832 934533540 /nfs/dbraw/zinc/53/35/40/934533540.db2.gz XVVLJIYKAZKJHY-GOSISDBHSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)CCC2(C)CC2)C1 ZINC001324973204 934877803 /nfs/dbraw/zinc/87/78/03/934877803.db2.gz WAMZZWNJOZTLML-SFHVURJKSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CC[C@H]([NH2+][C@@H]1CCC[C@H](C(C)C)C1)C(=O)OCC ZINC001324976473 934879308 /nfs/dbraw/zinc/87/93/08/934879308.db2.gz REJXMBJMHCDHQU-ZNMIVQPWSA-N 1 1 267.413 3.299 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC001325227590 934897093 /nfs/dbraw/zinc/89/70/93/934897093.db2.gz HFIUVFRMVZMZJV-INIZCTEOSA-N 1 1 284.403 3.265 20 30 CGEDMO C#CC[N@H+](CC1CC1)[C@@H](C)C(=O)Nc1ccccc1C(C)C ZINC001325513502 934916992 /nfs/dbraw/zinc/91/69/92/934916992.db2.gz UGVWBTKFZOKADE-HNNXBMFYSA-N 1 1 298.430 3.482 20 30 CGEDMO C#CC[N@@H+](CC1CC1)[C@@H](C)C(=O)Nc1ccccc1C(C)C ZINC001325513502 934916998 /nfs/dbraw/zinc/91/69/98/934916998.db2.gz UGVWBTKFZOKADE-HNNXBMFYSA-N 1 1 298.430 3.482 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)CCC(C)C)[C@@H]2C1 ZINC001325916877 934939592 /nfs/dbraw/zinc/93/95/92/934939592.db2.gz JNMRHIORHMZIII-LSDHHAIUSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)CCC(C)C)[C@@H]2C1 ZINC001325916877 934939597 /nfs/dbraw/zinc/93/95/97/934939597.db2.gz JNMRHIORHMZIII-LSDHHAIUSA-N 1 1 298.858 3.098 20 30 CGEDMO C#CCOCC[N@H+](C)C1CC(C)(C)CC(C)(C)C1 ZINC001473628955 937814548 /nfs/dbraw/zinc/81/45/48/937814548.db2.gz DHOOEDMYVXGATF-UHFFFAOYSA-N 1 1 251.414 3.173 20 30 CGEDMO C#CC[N@H+](CC[C@@H](C)OCc1ccccc1)CC1CC1 ZINC001326220676 934960320 /nfs/dbraw/zinc/96/03/20/934960320.db2.gz VTOKIZFOAIQHJA-MRXNPFEDSA-N 1 1 271.404 3.327 20 30 CGEDMO C[N@H+](Cc1c[nH]c(=O)c2ccccc12)[C@H]1CCC[C@H]1C#N ZINC001473707285 937817932 /nfs/dbraw/zinc/81/79/32/937817932.db2.gz IYAXBXNOGJRDGN-LRDDRELGSA-N 1 1 281.359 3.064 20 30 CGEDMO C[N@@H+](Cc1c[nH]c(=O)c2ccccc12)[C@H]1CCC[C@H]1C#N ZINC001473707285 937817934 /nfs/dbraw/zinc/81/79/34/937817934.db2.gz IYAXBXNOGJRDGN-LRDDRELGSA-N 1 1 281.359 3.064 20 30 CGEDMO CC(C)C#CC(=O)N[C@H]1CCC[N@H+](CCCC(C)C)CC1 ZINC001327127807 935032502 /nfs/dbraw/zinc/03/25/02/935032502.db2.gz XVAKPJFLMDCYQT-KRWDZBQOSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)C(CC)CC)CC1 ZINC001327130283 935033097 /nfs/dbraw/zinc/03/30/97/935033097.db2.gz KZKFCPPQQWCOQK-DOTOQJQBSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC(C)(C)C(=O)N(C)CCC[N@@H+](C)Cc1ccccc1 ZINC001327245559 935046693 /nfs/dbraw/zinc/04/66/93/935046693.db2.gz LZJDTVDWSAMUOL-UHFFFAOYSA-N 1 1 288.435 3.179 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1cccc(CC)c1 ZINC001328436311 935137798 /nfs/dbraw/zinc/13/77/98/935137798.db2.gz HNVHUPMXARTQMS-CALCHBBNSA-N 1 1 284.403 3.371 20 30 CGEDMO C#CC[N@H+](CC1CC1)[C@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC001328613840 935152404 /nfs/dbraw/zinc/15/24/04/935152404.db2.gz VNCLXZQUNDHIAL-CQSZACIVSA-N 1 1 295.386 3.451 20 30 CGEDMO C#CC[N@@H+](CC1CC1)[C@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC001328613840 935152408 /nfs/dbraw/zinc/15/24/08/935152408.db2.gz VNCLXZQUNDHIAL-CQSZACIVSA-N 1 1 295.386 3.451 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)C1CC2(CCC2)C1 ZINC001329519541 935223734 /nfs/dbraw/zinc/22/37/34/935223734.db2.gz ZAKCVONBFNZZSC-HUUCEWRRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)c1ccc(C)cc1C ZINC001329608737 935232965 /nfs/dbraw/zinc/23/29/65/935232965.db2.gz MYKNAILEZXZMLP-INIZCTEOSA-N 1 1 288.435 3.320 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](F)C(C)C ZINC001329938225 935255838 /nfs/dbraw/zinc/25/58/38/935255838.db2.gz PKJXWYGHOGOEOE-HOTGVXAUSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C2(CC(C)C)CCC2)C(C)(C)C1 ZINC001330208184 935276471 /nfs/dbraw/zinc/27/64/71/935276471.db2.gz DFXCRPYZYFSHER-OAHLLOKOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cc3ccc(C)cc3[nH]2)C1 ZINC001330806043 935323837 /nfs/dbraw/zinc/32/38/37/935323837.db2.gz PGGPOIZZORURID-MRXNPFEDSA-N 1 1 270.376 3.253 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)CC)[C@H]1C ZINC001332198345 935447937 /nfs/dbraw/zinc/44/79/37/935447937.db2.gz JFXFFBZJHNLWGT-HUUCEWRRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC(=O)N(CC[N@@H+](C)Cc1ccsc1)C(C)C ZINC001332693205 935482222 /nfs/dbraw/zinc/48/22/22/935482222.db2.gz LYQPEDCEAQEQKR-UHFFFAOYSA-N 1 1 294.464 3.383 20 30 CGEDMO Cc1ccc(CN2CCC[N@H+](C[C@@H](C)CCC#N)CC2)cc1 ZINC001332960103 935499877 /nfs/dbraw/zinc/49/98/77/935499877.db2.gz FBRWWTLWERHTFV-SFHVURJKSA-N 1 1 299.462 3.443 20 30 CGEDMO C#CCOCC[N@H+](C)[C@H](C)c1cccc2ccccc21 ZINC001336065866 936174359 /nfs/dbraw/zinc/17/43/59/936174359.db2.gz AJRRXZBXSPJYFK-OAHLLOKOSA-N 1 1 267.372 3.482 20 30 CGEDMO C#Cc1ccc(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)cc1 ZINC001336641043 936202225 /nfs/dbraw/zinc/20/22/25/936202225.db2.gz CAXAJGZVNWJYHM-QGZVFWFLSA-N 1 1 282.387 3.013 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@H](OCC=C)C2)c1 ZINC001337727475 936283894 /nfs/dbraw/zinc/28/38/94/936283894.db2.gz AMQXCDUHOHOZKV-KRWDZBQOSA-N 1 1 273.376 3.028 20 30 CGEDMO C[C@@H](Nc1cccc(CC#N)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001337832106 936292740 /nfs/dbraw/zinc/29/27/40/936292740.db2.gz MPMSHFSIPPFXEK-CABCVRRESA-N 1 1 298.434 3.213 20 30 CGEDMO C=CCCC[N@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC001473749314 937820335 /nfs/dbraw/zinc/82/03/35/937820335.db2.gz KIUGFJINRMYNKX-MRXNPFEDSA-N 1 1 251.414 3.481 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC001473790633 937822238 /nfs/dbraw/zinc/82/22/38/937822238.db2.gz LTAJXFFPEZQWHO-MJGOQNOKSA-N 1 1 292.357 3.471 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC001473790633 937822240 /nfs/dbraw/zinc/82/22/40/937822240.db2.gz LTAJXFFPEZQWHO-MJGOQNOKSA-N 1 1 292.357 3.471 20 30 CGEDMO C=C(Cl)C[N@@H+](CCN(C)C(=O)OC(C)(C)C)C(C)C ZINC001473813093 937823007 /nfs/dbraw/zinc/82/30/07/937823007.db2.gz UKVHNKAVMPAQBL-UHFFFAOYSA-N 1 1 290.835 3.316 20 30 CGEDMO C=C(Cl)C[N@H+](CCN(C)C(=O)OC(C)(C)C)C(C)C ZINC001473813093 937823008 /nfs/dbraw/zinc/82/30/08/937823008.db2.gz UKVHNKAVMPAQBL-UHFFFAOYSA-N 1 1 290.835 3.316 20 30 CGEDMO C#CC[N@H+](Cc1cnc(OC)c2ccccc12)C(C)(C)C ZINC001473808863 937823035 /nfs/dbraw/zinc/82/30/35/937823035.db2.gz LCLVRYXMECVWCG-UHFFFAOYSA-N 1 1 282.387 3.477 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC[C@@](C(=O)OCC)(C(C)C)C2)cc1 ZINC001474476955 937862087 /nfs/dbraw/zinc/86/20/87/937862087.db2.gz LSESSGHCVGZUHT-IBGZPJMESA-N 1 1 299.414 3.079 20 30 CGEDMO C#CC[N@H+](C)C[C@H](C)c1cccc(Br)c1 ZINC001474733905 937877921 /nfs/dbraw/zinc/87/79/21/937877921.db2.gz XFVWGAMUHLHUOQ-NSHDSACASA-N 1 1 266.182 3.118 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC23CC3)[C@H]1C ZINC001479709988 937923924 /nfs/dbraw/zinc/92/39/24/937923924.db2.gz UTLPGWHGLUUYHW-OAGGEKHMSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](C)C1CCCC1 ZINC001479738862 937924594 /nfs/dbraw/zinc/92/45/94/937924594.db2.gz LHVMEABNWRRHKT-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]2C[N@@H+](CCCC)CC[C@@H]21 ZINC001480186482 937933448 /nfs/dbraw/zinc/93/34/48/937933448.db2.gz NLHSNFLKQRIJDF-IRXDYDNUSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)/C=C(\C)CC ZINC001480317612 937936397 /nfs/dbraw/zinc/93/63/97/937936397.db2.gz NQPSAHOLKYMCCW-MDJJKAFGSA-N 1 1 278.440 3.280 20 30 CGEDMO CCC(CC)C[N@H+]1CCCC[C@H]1CNC(=O)C#CC(C)C ZINC001480315585 937936494 /nfs/dbraw/zinc/93/64/94/937936494.db2.gz AXGHHZNLYXMANK-KRWDZBQOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)C(=C)C)C1 ZINC001480383491 937937762 /nfs/dbraw/zinc/93/77/62/937937762.db2.gz QIEJFAOFDHFQBW-JKSUJKDBSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001480383665 937938317 /nfs/dbraw/zinc/93/83/17/937938317.db2.gz RZBQATZBJLSSJT-HOCLYGCPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)C2CCC2)C1 ZINC001480731085 937942523 /nfs/dbraw/zinc/94/25/23/937942523.db2.gz NLQIZEDNWCVLGP-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)C[C@H](CC)CCCC)C1 ZINC001480728594 937942816 /nfs/dbraw/zinc/94/28/16/937942816.db2.gz TVZRJFLGNBIQOO-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)C1(CCF)CC1 ZINC001493118008 937947118 /nfs/dbraw/zinc/94/71/18/937947118.db2.gz PXWAAYWRNPKLRC-GJZGRUSLSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001493240072 937948346 /nfs/dbraw/zinc/94/83/46/937948346.db2.gz OLPXZNRZENANNY-HOTGVXAUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](CNC(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001493240074 937948365 /nfs/dbraw/zinc/94/83/65/937948365.db2.gz OLPXZNRZENANNY-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@@H+](CCNC(=O)c1cc2ccccc2o1)C1CC1 ZINC001493447684 937950563 /nfs/dbraw/zinc/95/05/63/937950563.db2.gz XUIJFCZCQULKDQ-UHFFFAOYSA-N 1 1 298.386 3.203 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)c1ccccc1Cl)C1CC1 ZINC001493441008 937950618 /nfs/dbraw/zinc/95/06/18/937950618.db2.gz QEESLAXCTYCENI-UHFFFAOYSA-N 1 1 292.810 3.110 20 30 CGEDMO CC#CC[N@@H+](CCCNC(=O)[C@H]1CCCC[C@H]1C)C(C)C ZINC001493870382 937951728 /nfs/dbraw/zinc/95/17/28/937951728.db2.gz JLRKBDKPDRKXDP-SJORKVTESA-N 1 1 292.467 3.053 20 30 CGEDMO CCCN(C(=O)C#CC(C)C)[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC001493945637 937952396 /nfs/dbraw/zinc/95/23/96/937952396.db2.gz AIYVGYBMUMKBSR-KRWDZBQOSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CCC)C(=O)CCCF)C1 ZINC001493960665 937952402 /nfs/dbraw/zinc/95/24/02/937952402.db2.gz KYRGHNFEWCDHLS-OAHLLOKOSA-N 1 1 284.419 3.015 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N(CCC)[C@H]1CC[N@@H+](CC(=C)C)C1 ZINC001493963439 937952577 /nfs/dbraw/zinc/95/25/77/937952577.db2.gz XGTGSBNYUGUHMR-IRXDYDNUSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C/C(C)=C\CC(=O)NCC[C@H]1CC[N@@H+](CC(=C)Cl)C1 ZINC001494047375 937953099 /nfs/dbraw/zinc/95/30/99/937953099.db2.gz FPURXSXHKAMFRB-XNISGLLXSA-N 1 1 296.842 3.090 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)CC2(C)CCCC2)C1 ZINC001494128025 937953504 /nfs/dbraw/zinc/95/35/04/937953504.db2.gz XROPNKSGNVVDJS-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@H+](C)CC1CCN(C(=O)[C@H](F)C(C)C)CC1 ZINC001494205881 937953907 /nfs/dbraw/zinc/95/39/07/937953907.db2.gz VCGUUZFCDSXSEQ-MRXNPFEDSA-N 1 1 298.446 3.117 20 30 CGEDMO C=CC[N@H+](C)CC1CCN(C(=O)[C@H]2C[C@]2(C)C(C)C)CC1 ZINC001494208787 937953919 /nfs/dbraw/zinc/95/39/19/937953919.db2.gz DSJQMUHNUUYVCV-SJLPKXTDSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C)CCCCC)C1 ZINC001494290768 937954095 /nfs/dbraw/zinc/95/40/95/937954095.db2.gz ZREXPMORUQMZQF-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](CC/C=C\CC)C2)C1 ZINC001494324849 937954214 /nfs/dbraw/zinc/95/42/14/937954214.db2.gz RRQGMZLAFQXKAK-KJPDOMRESA-N 1 1 290.451 3.280 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)C(C)(C)C2CC2)C1 ZINC001494434381 937954571 /nfs/dbraw/zinc/95/45/71/937954571.db2.gz GJRGAEDLGBKBOB-UHFFFAOYSA-N 1 1 280.456 3.193 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(CC)CC ZINC001494680419 937955666 /nfs/dbraw/zinc/95/56/66/937955666.db2.gz PANYTAVCKKFUMR-PVAVHDDUSA-N 1 1 292.467 3.453 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(CC)CC ZINC001494680421 937955814 /nfs/dbraw/zinc/95/58/14/937955814.db2.gz PANYTAVCKKFUMR-XIRDDKMYSA-N 1 1 292.467 3.453 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)C2(CC(C)C)CCC2)C1 ZINC001494836240 937956764 /nfs/dbraw/zinc/95/67/64/937956764.db2.gz GRFJTULCQQQVPW-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC2(C1)CCN(C(=O)CCCC(C)C)CC2 ZINC001495602967 937959888 /nfs/dbraw/zinc/95/98/88/937959888.db2.gz SUPXGMCYOSHNQW-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C#CCCCCC(=O)N(C)CC[N@@H+](C)CC1CC(C)(C)C1 ZINC001496689281 937963510 /nfs/dbraw/zinc/96/35/10/937963510.db2.gz MYFARTBPWSPWDP-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2CN(C(=O)C3(CCC)CCC3)CC[C@H]21 ZINC001496864036 937964622 /nfs/dbraw/zinc/96/46/22/937964622.db2.gz RXCLGBNNOPFCMI-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001498284773 937968794 /nfs/dbraw/zinc/96/87/94/937968794.db2.gz YDULUAZAUDXEFC-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001498955162 937971455 /nfs/dbraw/zinc/97/14/55/937971455.db2.gz LHMSBHFCCXVANL-MWDXBVQZSA-N 1 1 292.467 3.193 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CNC(=O)CCC1CCCCCC1 ZINC001499021682 937971724 /nfs/dbraw/zinc/97/17/24/937971724.db2.gz PQZANXAMVGHTQE-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@H+]1CC[C@H]1CNC(=O)CCC1CCCCCC1 ZINC001499021682 937971725 /nfs/dbraw/zinc/97/17/25/937971725.db2.gz PQZANXAMVGHTQE-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001499102209 937972558 /nfs/dbraw/zinc/97/25/58/937972558.db2.gz OWZQPLGSLQPWEM-ULQDDVLXSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)/C(C)=C/CC ZINC001499502291 937973832 /nfs/dbraw/zinc/97/38/32/937973832.db2.gz WNMWUHZWYCYYEV-WZQKHZFYSA-N 1 1 290.451 3.374 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C)CCCC)C2)C1 ZINC001499603821 937973911 /nfs/dbraw/zinc/97/39/11/937973911.db2.gz PXFPUOBRLJQADX-FUHWJXTLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@]1(C)CC[N@H+](CCCC)C1 ZINC001500221695 937976618 /nfs/dbraw/zinc/97/66/18/937976618.db2.gz XMRBLBKZOZHBNM-KRWDZBQOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)/C=C\C(C)(C)C)C1 ZINC001500482497 937977522 /nfs/dbraw/zinc/97/75/22/937977522.db2.gz WRYPNMOOEDWADU-IZTUGPKFSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCC1(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CC)CCCC1 ZINC001501407896 937979595 /nfs/dbraw/zinc/97/95/95/937979595.db2.gz KRYWGZMCWBUCFS-HOTGVXAUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)C(C)(C)C)CC1 ZINC001502126201 937981258 /nfs/dbraw/zinc/98/12/58/937981258.db2.gz SJNXRLKVNDNCBY-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)C[C@H]1CCC[C@@H]1C ZINC001502336818 937981809 /nfs/dbraw/zinc/98/18/09/937981809.db2.gz XXSCJGLQUMDFOZ-JKSUJKDBSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)c1ccoc1C1CC1 ZINC001502367744 937982194 /nfs/dbraw/zinc/98/21/94/937982194.db2.gz QNTYEUUCGVKGER-UHFFFAOYSA-N 1 1 290.407 3.127 20 30 CGEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)C3(C)CC=CC3)cc2C1 ZINC001502652895 937982931 /nfs/dbraw/zinc/98/29/31/937982931.db2.gz JDITZLJMIZXXPJ-UHFFFAOYSA-N 1 1 296.414 3.161 20 30 CGEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)C3(C)CC=CC3)cc2C1 ZINC001502652895 937982932 /nfs/dbraw/zinc/98/29/32/937982932.db2.gz JDITZLJMIZXXPJ-UHFFFAOYSA-N 1 1 296.414 3.161 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)[C@@H](C)C1 ZINC001502906870 937983765 /nfs/dbraw/zinc/98/37/65/937983765.db2.gz RXMBJCKPCQASBO-GJZGRUSLSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)CC)C[C@@H]1C ZINC001502967110 937984079 /nfs/dbraw/zinc/98/40/79/937984079.db2.gz HDTHFUQOOKRLRG-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@H]1C[N@H+](C)CCCC ZINC001505448610 937985517 /nfs/dbraw/zinc/98/55/17/937985517.db2.gz USMKJJNKMRAXEU-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](C)CCC(C)(C)C ZINC001505976492 937988436 /nfs/dbraw/zinc/98/84/36/937988436.db2.gz NNRIHFTZKKYFPL-CQSZACIVSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C(C)(C)C(C)C)C(C)(C)C1 ZINC001506739716 937991529 /nfs/dbraw/zinc/99/15/29/937991529.db2.gz IVZRXYBYDWMLGT-AWEZNQCLSA-N 1 1 280.456 3.071 20 30 CGEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)C(CCC)CCC)C(C)(C)C1 ZINC001506746783 937991709 /nfs/dbraw/zinc/99/17/09/937991709.db2.gz BEHVTUKCQVJLKY-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CCC(C)C)C[C@@]2(C)C1 ZINC001506869816 937992302 /nfs/dbraw/zinc/99/23/02/937992302.db2.gz XBHYEQWUQYOVOU-HDICACEKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+](C)C1CCN(C(=O)C2(C3CC3)CC2)CC1 ZINC001506963088 937993217 /nfs/dbraw/zinc/99/32/17/937993217.db2.gz YBGUSIREMKKELS-UHFFFAOYSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C2(CF)CCC2)[C@@H]1C ZINC001507379613 937995552 /nfs/dbraw/zinc/99/55/52/937995552.db2.gz AALGKEJUCGDXFC-GJZGRUSLSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)[C@@H]1C[C@H]1C(C)(C)C)C(C)C ZINC001507819712 937996895 /nfs/dbraw/zinc/99/68/95/937996895.db2.gz QNJJLCHXWAFWDC-HZPDHXFCSA-N 1 1 294.483 3.414 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)[C@]2(C)CCC[C@@H]2C)CC1 ZINC001508222657 937998887 /nfs/dbraw/zinc/99/88/87/937998887.db2.gz ZVGZNXXCBCKUDG-MAUKXSAKSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(CC(C)C)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001528094610 938065599 /nfs/dbraw/zinc/06/55/99/938065599.db2.gz KTWRULFBBVGHAT-HOTGVXAUSA-N 1 1 292.467 3.358 20 30 CGEDMO CCCCCCCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001557612521 938210956 /nfs/dbraw/zinc/21/09/56/938210956.db2.gz HIPSJJCVVQSQBL-HNNXBMFYSA-N 1 1 268.445 3.193 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001557867639 938212288 /nfs/dbraw/zinc/21/22/88/938212288.db2.gz MAHWDTXAVBHVBZ-UHFFFAOYSA-N 1 1 268.445 3.073 20 30 CGEDMO C#CCOCC[N@@H+]1CCC[C@H](C)[C@H]1c1ccc(C)cc1 ZINC001559559256 938229608 /nfs/dbraw/zinc/22/96/08/938229608.db2.gz MZCSBPAECDBVKS-WMZOPIPTSA-N 1 1 271.404 3.418 20 30 CGEDMO C#CCCCCCC[N@@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001559562507 938229947 /nfs/dbraw/zinc/22/99/47/938229947.db2.gz DGRWIVLNEBQLQV-QWHCGFSZSA-N 1 1 277.330 3.222 20 30 CGEDMO C#CCCCCCC[N@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001559562507 938229948 /nfs/dbraw/zinc/22/99/48/938229948.db2.gz DGRWIVLNEBQLQV-QWHCGFSZSA-N 1 1 277.330 3.222 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@H]1Cc1ccccc1Br ZINC001559922469 938238919 /nfs/dbraw/zinc/23/89/19/938238919.db2.gz IJMXKAXXXATWIM-CQSZACIVSA-N 1 1 292.220 3.479 20 30 CGEDMO C=C(CC)C[N@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC001559924342 938238949 /nfs/dbraw/zinc/23/89/49/938238949.db2.gz SLOVODULHNPOFL-UONOGXRCSA-N 1 1 267.413 3.395 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](C[C@H](C)NC(=O)OC(C)(C)C)C1 ZINC001559983267 938240906 /nfs/dbraw/zinc/24/09/06/938240906.db2.gz LUEFRNZRPWWGKL-UONOGXRCSA-N 1 1 282.428 3.188 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CC(=O)Nc2cccc(Cl)c2)C1 ZINC001560027144 938242097 /nfs/dbraw/zinc/24/20/97/938242097.db2.gz SKTKGUDLQGVBAG-LBPRGKRZSA-N 1 1 278.783 3.177 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@H](CCC(=O)OC)C1 ZINC001560116670 938244126 /nfs/dbraw/zinc/24/41/26/938244126.db2.gz GHMRATYVHYGKSN-MRXNPFEDSA-N 1 1 279.424 3.235 20 30 CGEDMO C#CC[C@H]1CC[N@H+](CCO[C@H](CC)c2ccccc2)C1 ZINC001560135970 938244866 /nfs/dbraw/zinc/24/48/66/938244866.db2.gz HCUDIIWMTYLVKS-FUHWJXTLSA-N 1 1 271.404 3.500 20 30 CGEDMO C#C[C@@H]1CCCC[N@H+]1Cc1cnc2ccccc2c1 ZINC001560209816 938247229 /nfs/dbraw/zinc/24/72/29/938247229.db2.gz YNODKLXZAUNXCV-MRXNPFEDSA-N 1 1 250.345 3.223 20 30 CGEDMO C=CC[C@@H]([NH2+]Cc1nc2ccccc2n1C)c1ccncc1 ZINC001560338699 938253817 /nfs/dbraw/zinc/25/38/17/938253817.db2.gz IRQQWSIJLSSZQG-OAHLLOKOSA-N 1 1 292.386 3.375 20 30 CGEDMO C=CC[C@H]([NH2+]Cc1cn2cccc(F)c2n1)c1ccncc1 ZINC001560338753 938254011 /nfs/dbraw/zinc/25/40/11/938254011.db2.gz KWNNUZXCHNNOBA-INIZCTEOSA-N 1 1 296.349 3.275 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN[C@H](C)C[NH+]1CCC(C)CC1 ZINC001560532132 938261798 /nfs/dbraw/zinc/26/17/98/938261798.db2.gz URYDBJCARMMVRO-QGZVFWFLSA-N 1 1 299.462 3.385 20 30 CGEDMO Cc1ccc(CC[N@@H+](CCC#N)CC2CC2)cc1C ZINC001560657619 938268699 /nfs/dbraw/zinc/26/86/99/938268699.db2.gz SXCFOPRYJPDXMQ-UHFFFAOYSA-N 1 1 256.393 3.472 20 30 CGEDMO C#CC[N@@H+](CC)Cc1cccc(Br)c1F ZINC001560698965 938270982 /nfs/dbraw/zinc/27/09/82/938270982.db2.gz FAMOTYXQZZPKQX-UHFFFAOYSA-N 1 1 270.145 3.043 20 30 CGEDMO C#CC[N@H+](CC)Cc1cccc(Br)c1F ZINC001560698965 938270983 /nfs/dbraw/zinc/27/09/83/938270983.db2.gz FAMOTYXQZZPKQX-UHFFFAOYSA-N 1 1 270.145 3.043 20 30 CGEDMO C#CC[N@@H+](Cc1cn(CC)nc1C)[C@@H]1CCc2ccccc21 ZINC001560702195 938271395 /nfs/dbraw/zinc/27/13/95/938271395.db2.gz YKTRLNCCMSBMFD-LJQANCHMSA-N 1 1 293.414 3.334 20 30 CGEDMO C#CC[N@H+](Cc1cn(CC)nc1C)[C@@H]1CCc2ccccc21 ZINC001560702195 938271396 /nfs/dbraw/zinc/27/13/96/938271396.db2.gz YKTRLNCCMSBMFD-LJQANCHMSA-N 1 1 293.414 3.334 20 30 CGEDMO C=CC[N@H+](C)Cc1cccc(Oc2ccccn2)c1 ZINC001560773432 938275063 /nfs/dbraw/zinc/27/50/63/938275063.db2.gz ZTRPKPVMDNQAGT-UHFFFAOYSA-N 1 1 254.333 3.492 20 30 CGEDMO C=C(C)C[C@H]([NH2+][C@H]1CCC[C@H](SC)C1)C(=O)OCC ZINC001560987463 938288090 /nfs/dbraw/zinc/28/80/90/938288090.db2.gz YXGXBQMEVWOCHM-IHRRRGAJSA-N 1 1 285.453 3.148 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H](C)C[NH2+]C/C(Cl)=C/Cl ZINC001483157198 957740189 /nfs/dbraw/zinc/74/01/89/957740189.db2.gz ZJVDEZHIBUOZNF-CHPNCVJKSA-N 1 1 293.238 3.002 20 30 CGEDMO Cn1c[nH+]c2cccc(Nc3ccccc3OCC#N)c21 ZINC001212602617 957861349 /nfs/dbraw/zinc/86/13/49/957861349.db2.gz JWNPNICYLCPCAO-UHFFFAOYSA-N 1 1 278.315 3.219 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)CC1CC(C)(C)C1 ZINC001493130494 957897869 /nfs/dbraw/zinc/89/78/69/957897869.db2.gz WOBZGJKBSTWYOE-AWEZNQCLSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)CC1CC(C)(C)C1 ZINC001493130494 957897882 /nfs/dbraw/zinc/89/78/82/957897882.db2.gz WOBZGJKBSTWYOE-AWEZNQCLSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](CCC(C)C)C1 ZINC001317136903 960430687 /nfs/dbraw/zinc/43/06/87/960430687.db2.gz HBWCBAQTOOEKSU-OAHLLOKOSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[C@H]1CCC ZINC001317434421 960431699 /nfs/dbraw/zinc/43/16/99/960431699.db2.gz HOJRARMBRFXUOU-BRWVUGGUSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](CC)CCCCCC)C1 ZINC001567919385 960601931 /nfs/dbraw/zinc/60/19/31/960601931.db2.gz ZTOMJZSDQOVNND-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1C[C@@H]2C[N@@H+](CCCC)CC[C@@H]2C1 ZINC001566048397 960866189 /nfs/dbraw/zinc/86/61/89/960866189.db2.gz MBGUZCOCRBGZCV-ZACQAIPSSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)C(C)C)CC(C)(C)C1 ZINC001566131145 960894596 /nfs/dbraw/zinc/89/45/96/960894596.db2.gz HXEVXMGKLGTKRD-JKSUJKDBSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCNC(=O)[C@H]1CCCC[C@@H]1C ZINC001566487328 960937090 /nfs/dbraw/zinc/93/70/90/960937090.db2.gz XSYAFVPCIIZYOL-JSGCOSHPSA-N 1 1 286.847 3.003 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCNC(=O)[C@H]1CCCC[C@@H]1C ZINC001566487328 960937099 /nfs/dbraw/zinc/93/70/99/960937099.db2.gz XSYAFVPCIIZYOL-JSGCOSHPSA-N 1 1 286.847 3.003 20 30 CGEDMO C=CCCC[N@@H+](C)CCCNC(=O)c1csc(C)c1C ZINC001566458439 960943315 /nfs/dbraw/zinc/94/33/15/960943315.db2.gz XGRYLGACDGRRTK-UHFFFAOYSA-N 1 1 294.464 3.383 20 30 CGEDMO C=C(C)C[N@@H+](C)CCCNC(=O)c1sccc1Cl ZINC001566455602 960944005 /nfs/dbraw/zinc/94/40/05/960944005.db2.gz FGXWKVKBGWEHEF-UHFFFAOYSA-N 1 1 286.828 3.029 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)C2CCCCC2)C1 ZINC001566654799 960972779 /nfs/dbraw/zinc/97/27/79/960972779.db2.gz JBEBAGFVBMSCME-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)CC(C)C ZINC001566756065 961009260 /nfs/dbraw/zinc/00/92/60/961009260.db2.gz BNTLFLQPVNGXLM-YESZJQIVSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](C[N@@H+](C)CC(C)C)C1 ZINC001566742793 961012248 /nfs/dbraw/zinc/01/22/48/961012248.db2.gz CXXNANSCBMVZRZ-WMZOPIPTSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)/C=C(/C)C1CC1 ZINC001566914557 961044161 /nfs/dbraw/zinc/04/41/61/961044161.db2.gz BARAWSRONAIDOT-AKMXKPQHSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@H]1CCCC[N@H+]1CC1CCC1 ZINC001566925622 961054811 /nfs/dbraw/zinc/05/48/11/961054811.db2.gz LVIZOSVYFDSORA-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@](C)(F)CCCC ZINC001566922644 961062802 /nfs/dbraw/zinc/06/28/02/961062802.db2.gz BDWHQJSLLLZTAQ-DOTOQJQBSA-N 1 1 298.446 3.452 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)/C(C)=C\CC)C1 ZINC001566957231 961067150 /nfs/dbraw/zinc/06/71/50/961067150.db2.gz DNYMAYWALSTGAG-IBBDDHLBSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]([N@H+](C)C[C@@H](F)CC)C1 ZINC001567192856 961129214 /nfs/dbraw/zinc/12/92/14/961129214.db2.gz IXFDCZJJCYQYRT-GJZGRUSLSA-N 1 1 284.419 3.014 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)c2coc(C)c2)C1 ZINC001567189572 961129716 /nfs/dbraw/zinc/12/97/16/961129716.db2.gz JHEHDFNFVOJYGJ-INIZCTEOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]([N@H+](C)CC/C=C/CC)C1 ZINC001567189046 961129931 /nfs/dbraw/zinc/12/99/31/961129931.db2.gz YVOJUBCBUFPNIO-IQIBNGDESA-N 1 1 278.440 3.232 20 30 CGEDMO CCC(C#N)(CC)C(=O)Nc1cccc2c1C[N@H+](C1CC1)C2 ZINC001567190712 961130410 /nfs/dbraw/zinc/13/04/10/961130410.db2.gz KIXQYKFBSFNIJB-UHFFFAOYSA-N 1 1 297.402 3.433 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)C2(C)CCC2)C1 ZINC001567195909 961142677 /nfs/dbraw/zinc/14/26/77/961142677.db2.gz DKVCLYCLYTZSLQ-CVEARBPZSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H]1CCCNC(=O)C[C@@H]1C=CCC1 ZINC001567242998 961152722 /nfs/dbraw/zinc/15/27/22/961152722.db2.gz CYGQTGBRBJHQGN-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)c1cccc(Cl)c1F ZINC001567301667 961274880 /nfs/dbraw/zinc/27/48/80/961274880.db2.gz DOLORODBBWJJAN-UHFFFAOYSA-N 1 1 298.789 3.107 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CCCC1 ZINC001567357522 961286898 /nfs/dbraw/zinc/28/68/98/961286898.db2.gz AHGSGQQEZPEASB-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCC[N@H+](CC)CCC(C)(C)C ZINC001567344193 961289978 /nfs/dbraw/zinc/28/99/78/961289978.db2.gz XBBKVXZCWXBPPC-KRWDZBQOSA-N 1 1 282.472 3.463 20 30 CGEDMO C#CCCCC(=O)NC[C@H]1CCC[N@@H+]1C[C@@H](C)CC(C)C ZINC001567363269 961313533 /nfs/dbraw/zinc/31/35/33/961313533.db2.gz QEAXTMXLXJJDLC-DLBZAZTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@H+](CCNC(=O)c1cc(C)cs1)C1CC1 ZINC001567441156 961335177 /nfs/dbraw/zinc/33/51/77/961335177.db2.gz UILNGCWBMVTQLE-UHFFFAOYSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)c2ccsc2)C1 ZINC001567679893 961390051 /nfs/dbraw/zinc/39/00/51/961390051.db2.gz WBNGVZSIFZDUEV-HNNXBMFYSA-N 1 1 292.448 3.251 20 30 CGEDMO C=CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(CC)CC ZINC001567673928 961392002 /nfs/dbraw/zinc/39/20/02/961392002.db2.gz PLNOGTQFNBMMEJ-CALCHBBNSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CC23CCCC3)C1 ZINC001567689223 961402550 /nfs/dbraw/zinc/40/25/50/961402550.db2.gz RLYPMOHMEABJPD-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)CCCCC ZINC001567861752 961448146 /nfs/dbraw/zinc/44/81/46/961448146.db2.gz ANWQYEMWPXGUIJ-ULQDDVLXSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H](CC)SC)C1 ZINC001567936117 961462109 /nfs/dbraw/zinc/46/21/09/961462109.db2.gz OJMOMSLWENTFMF-CABCVRRESA-N 1 1 298.496 3.017 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC23CC3)C1 ZINC001567913415 961462765 /nfs/dbraw/zinc/46/27/65/961462765.db2.gz BBRWKIZYEZJZMH-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CCC(=O)N(C)[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001567915154 961463692 /nfs/dbraw/zinc/46/36/92/961463692.db2.gz LBZJYUFCRHNDDX-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H](C)C2CCC2)C1 ZINC001567939803 961464550 /nfs/dbraw/zinc/46/45/50/961464550.db2.gz XCLYYOCLTNHJIA-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)CCC(=C)C)C1 ZINC001567939393 961464772 /nfs/dbraw/zinc/46/47/72/961464772.db2.gz RIXMHMCFWZYTQQ-MRXNPFEDSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CC[N@@H+](C)CCC1CCN(C(=O)C/C=C(\C)C=C)CC1 ZINC001568438289 961575915 /nfs/dbraw/zinc/57/59/15/961575915.db2.gz BCIHSKXIDSEJAM-FRKPEAEDSA-N 1 1 290.451 3.255 20 30 CGEDMO C=CC[N@H+](C)CCC1CCN(C(=O)[C@@H](C)C(C)(C)C)CC1 ZINC001568437653 961578775 /nfs/dbraw/zinc/57/87/75/961578775.db2.gz CYNMQXVLWVYYAQ-OAHLLOKOSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCCC(=O)N(C)CC[N@@H+](C)Cc1ccc(C)c(C)c1 ZINC001568476083 961596076 /nfs/dbraw/zinc/59/60/76/961596076.db2.gz OQBUEBBPXSPNLQ-UHFFFAOYSA-N 1 1 288.435 3.160 20 30 CGEDMO C=CCCC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccccc2)C1 ZINC001568509373 961603964 /nfs/dbraw/zinc/60/39/64/961603964.db2.gz SHDJEGYHCNTZRK-ZWKOTPCHSA-N 1 1 298.430 3.076 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)CC(C)C ZINC001569448941 961766933 /nfs/dbraw/zinc/76/69/33/961766933.db2.gz NQFOGDGDVUKZEO-BBWFWOEESA-N 1 1 292.467 3.310 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC ZINC001569461949 961769003 /nfs/dbraw/zinc/76/90/03/961769003.db2.gz PBIFFFMHZROEAS-OAGGEKHMSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001569459690 961770238 /nfs/dbraw/zinc/77/02/38/961770238.db2.gz OLEQXJQHADIPNU-CALCHBBNSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[NH+]1CC(N(C)C(=O)C2(CC(C)C)CCCC2)C1 ZINC001569502931 961787683 /nfs/dbraw/zinc/78/76/83/961787683.db2.gz VRRBSCKJAPECPA-UHFFFAOYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC(C)(C)CC(=O)NC1(C)CC[NH+](CC(=C)Cl)CC1 ZINC001569572392 961796347 /nfs/dbraw/zinc/79/63/47/961796347.db2.gz HQVQLXFZOCUWNW-UHFFFAOYSA-N 1 1 298.858 3.312 20 30 CGEDMO C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001569651605 961810432 /nfs/dbraw/zinc/81/04/32/961810432.db2.gz SWKSPVMVHXYMOI-QAPCUYQASA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCC(=C)C ZINC001569911064 961867341 /nfs/dbraw/zinc/86/73/41/961867341.db2.gz ZFERQUOQXZLYHG-SJORKVTESA-N 1 1 290.451 3.374 20 30 CGEDMO C=CC[N@H+](C)Cc1ccccc1CNC(=O)C(C)(C)CC ZINC001570028488 961881422 /nfs/dbraw/zinc/88/14/22/961881422.db2.gz WZFBLQAIIIFXOK-UHFFFAOYSA-N 1 1 288.435 3.357 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CCC[N@H+](CCCCC)CC1 ZINC001570181200 961911673 /nfs/dbraw/zinc/91/16/73/961911673.db2.gz DYESTAUWLIUFFR-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CCC[N@H+](CCCC)CC1 ZINC001570176984 961914256 /nfs/dbraw/zinc/91/42/56/961914256.db2.gz BUIUBDQTRJIYTE-OAHLLOKOSA-N 1 1 266.429 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)CC(C)(C)C2CC2)CC1 ZINC001570174811 961914750 /nfs/dbraw/zinc/91/47/50/961914750.db2.gz JUXQRKAJMZQYOA-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC23CCC3)CC1 ZINC001570184190 961924795 /nfs/dbraw/zinc/92/47/95/961924795.db2.gz YSJUIZITTUPJDH-HOTGVXAUSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N(C)CCC[N@@H+](C)C/C=C/Cl ZINC001570204646 961925183 /nfs/dbraw/zinc/92/51/83/961925183.db2.gz YNDFYBJYAFXRFN-VQHVLOKHSA-N 1 1 286.847 3.122 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)c1ccc(Cl)cc1 ZINC001570215738 961935102 /nfs/dbraw/zinc/93/51/02/961935102.db2.gz MDSGGDUGRJGSBX-UHFFFAOYSA-N 1 1 294.826 3.310 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](CC)CCC)C2 ZINC001570275055 961945121 /nfs/dbraw/zinc/94/51/21/961945121.db2.gz OPVWAORQDXZYAX-AEFFLSMTSA-N 1 1 292.467 3.313 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)CC(C)(C)C)C[C@H]1C ZINC001570449691 961967709 /nfs/dbraw/zinc/96/77/09/961967709.db2.gz TVRCDUWEQGVPCT-CABCVRRESA-N 1 1 292.467 3.051 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CC[N@@H+](CC(=C)C)[C@H](C)C1 ZINC001570438181 961970055 /nfs/dbraw/zinc/97/00/55/961970055.db2.gz WLUBJTPRIVUNCC-WBVHZDCISA-N 1 1 290.451 3.300 20 30 CGEDMO C=CCC1(C(=O)N2CCC[C@H]2C[N@H+](C)CC)CCCC1 ZINC001570547634 961997286 /nfs/dbraw/zinc/99/72/86/961997286.db2.gz GGEIGTLRDDDVJP-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC(=O)NC[C@H](C)[N@@H+](C)[C@@H](C)c1ccccc1C ZINC001570700994 962045636 /nfs/dbraw/zinc/04/56/36/962045636.db2.gz ZRQZCTXSJOQZIN-HOTGVXAUSA-N 1 1 288.435 3.459 20 30 CGEDMO C=C(CC(C)C)C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC001584742504 962948386 /nfs/dbraw/zinc/94/83/86/962948386.db2.gz SBWLDZSNQHDJKK-MRXNPFEDSA-N 1 1 278.440 3.112 20 30 CGEDMO CCCCCCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001587874683 963230882 /nfs/dbraw/zinc/23/08/82/963230882.db2.gz IUSDSECHEYCQII-MRXNPFEDSA-N 1 1 286.435 3.286 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@H]1CCOC1 ZINC000589744575 346810469 /nfs/dbraw/zinc/81/04/69/346810469.db2.gz UYBZJIRFPYZFNE-KRWDZBQOSA-N 1 1 286.419 3.487 20 30 CGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCC(C)(C)CC1 ZINC000124650799 187147322 /nfs/dbraw/zinc/14/73/22/187147322.db2.gz XLUYADCQVBOADQ-CQSZACIVSA-N 1 1 299.418 3.397 20 30 CGEDMO COCC[N@@H+](Cc1cccc(F)c1C#N)C1CCCC1 ZINC000589983470 346820073 /nfs/dbraw/zinc/82/00/73/346820073.db2.gz LZXSCNQUOLOICQ-UHFFFAOYSA-N 1 1 276.355 3.088 20 30 CGEDMO Cn1nccc1-c1ccccc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000590360113 346843950 /nfs/dbraw/zinc/84/39/50/346843950.db2.gz WWODRADBPOYXPC-SFHVURJKSA-N 1 1 294.402 3.213 20 30 CGEDMO Cn1nccc1-c1ccccc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000590360113 346843952 /nfs/dbraw/zinc/84/39/52/346843952.db2.gz WWODRADBPOYXPC-SFHVURJKSA-N 1 1 294.402 3.213 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1nc(C(C)C)n2ccccc12 ZINC000651755420 398283325 /nfs/dbraw/zinc/28/33/25/398283325.db2.gz MWCMDOCGFLAFCL-UHFFFAOYSA-N 1 1 257.381 3.466 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1nc(C(C)C)n2ccccc12 ZINC000651755420 398283326 /nfs/dbraw/zinc/28/33/26/398283326.db2.gz MWCMDOCGFLAFCL-UHFFFAOYSA-N 1 1 257.381 3.466 20 30 CGEDMO C=CC[C@@H]1CC[C@H]([NH2+]CCc2ccc3cn[nH]c3c2)C1 ZINC000651796960 398289444 /nfs/dbraw/zinc/28/94/44/398289444.db2.gz OBERLQBNEFWVEZ-CJNGLKHVSA-N 1 1 269.392 3.440 20 30 CGEDMO C=CC[C@@H]1CC[C@@H](Nc2cc(CCOC)cc[nH+]2)C1 ZINC000651805585 398290013 /nfs/dbraw/zinc/29/00/13/398290013.db2.gz WLDYBSFFDBWJLL-UKRRQHHQSA-N 1 1 260.381 3.427 20 30 CGEDMO CC1(C)CCC[N@@H+]1CCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000590780329 346876039 /nfs/dbraw/zinc/87/60/39/346876039.db2.gz MNYCIUWUFCMFLC-GOSISDBHSA-N 1 1 297.446 3.400 20 30 CGEDMO CC1(C)CCC[N@H+]1CCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000590780329 346876043 /nfs/dbraw/zinc/87/60/43/346876043.db2.gz MNYCIUWUFCMFLC-GOSISDBHSA-N 1 1 297.446 3.400 20 30 CGEDMO N#CC1(CC[N@@H+]2CC[C@H](C(F)F)C2)CCCCC1 ZINC000591021379 346895330 /nfs/dbraw/zinc/89/53/30/346895330.db2.gz CSJUAYZTBLPHOT-LBPRGKRZSA-N 1 1 256.340 3.438 20 30 CGEDMO C[C@]1(C#N)CCC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000591026522 346895791 /nfs/dbraw/zinc/89/57/91/346895791.db2.gz JDCUWHVKTJUJLQ-OAHLLOKOSA-N 1 1 259.397 3.476 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000591026522 346895792 /nfs/dbraw/zinc/89/57/92/346895792.db2.gz JDCUWHVKTJUJLQ-OAHLLOKOSA-N 1 1 259.397 3.476 20 30 CGEDMO COc1ccc([C@H](C)[N@@H+](C)Cc2ccc(C#N)o2)cc1 ZINC000125809739 187200560 /nfs/dbraw/zinc/20/05/60/187200560.db2.gz CRFILBDQZBYAFQ-LBPRGKRZSA-N 1 1 270.332 3.353 20 30 CGEDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356137237 529541694 /nfs/dbraw/zinc/54/16/94/529541694.db2.gz PIGDZILNRGWXPH-HNNXBMFYSA-N 1 1 285.416 3.468 20 30 CGEDMO CCc1ccccc1[C@@H]([NH3+])CN[C@@H](C)c1cccc(C#N)c1 ZINC000423504699 529612044 /nfs/dbraw/zinc/61/20/44/529612044.db2.gz NSVRLRJMMMMAII-LIRRHRJNSA-N 1 1 293.414 3.471 20 30 CGEDMO CCc1ccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)nc1 ZINC000411472582 529650602 /nfs/dbraw/zinc/65/06/02/529650602.db2.gz UBJOEXMDFYKUNQ-UHFFFAOYSA-N 1 1 277.371 3.295 20 30 CGEDMO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1ccncc1C#N ZINC000592069854 346958879 /nfs/dbraw/zinc/95/88/79/346958879.db2.gz WQNRBSCGYDTVID-CZUORRHYSA-N 1 1 295.361 3.470 20 30 CGEDMO Cc1ccccc1C[C@H]1CCC[N@H+]1Cc1ccncc1C#N ZINC000592070002 346959051 /nfs/dbraw/zinc/95/90/51/346959051.db2.gz DUUDBLSNCRCCCM-LJQANCHMSA-N 1 1 291.398 3.469 20 30 CGEDMO N#Cc1cnccc1C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000592067405 346959523 /nfs/dbraw/zinc/95/95/23/346959523.db2.gz OSIZKOPEYQDYSJ-OAHLLOKOSA-N 1 1 281.334 3.082 20 30 CGEDMO N#Cc1cnccc1C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000592067405 346959528 /nfs/dbraw/zinc/95/95/28/346959528.db2.gz OSIZKOPEYQDYSJ-OAHLLOKOSA-N 1 1 281.334 3.082 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)CCC[C@H]1CCOC1 ZINC000592072205 346959895 /nfs/dbraw/zinc/95/98/95/346959895.db2.gz ZOUPYSIPZHXTEK-HNNXBMFYSA-N 1 1 252.402 3.065 20 30 CGEDMO N#Cc1cnccc1C[N@H+]1CCCC2(CCCCC2)C1 ZINC000592070741 346960843 /nfs/dbraw/zinc/96/08/43/346960843.db2.gz QHOXQMRLNAUNGQ-UHFFFAOYSA-N 1 1 269.392 3.500 20 30 CGEDMO N#CC[C@]1(O)CC[N@H+](C(c2ccccc2)c2ccccc2)C1 ZINC000592146762 346966957 /nfs/dbraw/zinc/96/69/57/346966957.db2.gz KEWUNFOKOGJPBM-IBGZPJMESA-N 1 1 292.382 3.126 20 30 CGEDMO C[C@@H](C1CCCCC1)[N@@H+](C)Cc1ccncc1C#N ZINC000592117320 346964369 /nfs/dbraw/zinc/96/43/69/346964369.db2.gz WTWGKOLOZMFVOZ-ZDUSSCGKSA-N 1 1 257.381 3.354 20 30 CGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000126956118 187272667 /nfs/dbraw/zinc/27/26/67/187272667.db2.gz RHRYCUIKNXNMQF-HOTGVXAUSA-N 1 1 298.411 3.490 20 30 CGEDMO C[N@@H+](CCc1ccccc1)Cc1cc(F)ccc1C#N ZINC000158517131 529934606 /nfs/dbraw/zinc/93/46/06/529934606.db2.gz RTKHVVMFIVELHX-UHFFFAOYSA-N 1 1 268.335 3.372 20 30 CGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H]2c2ccsc2)cc1 ZINC000127092293 187281741 /nfs/dbraw/zinc/28/17/41/187281741.db2.gz WPUBYUKYHUVFLE-IAGOWNOFSA-N 1 1 298.411 3.490 20 30 CGEDMO CC[C@H](OCC[N@H+](CC)CCC#N)c1ccccc1 ZINC000593015926 347027998 /nfs/dbraw/zinc/02/79/98/347027998.db2.gz CWBQVTLLFWTNAA-INIZCTEOSA-N 1 1 260.381 3.390 20 30 CGEDMO CC[C@H](OCC[N@@H+](CC)CCC#N)c1ccccc1 ZINC000593015926 347028000 /nfs/dbraw/zinc/02/80/00/347028000.db2.gz CWBQVTLLFWTNAA-INIZCTEOSA-N 1 1 260.381 3.390 20 30 CGEDMO C[C@H](CSc1ccccc1)[N@H+](C)CC1(C#N)CC1 ZINC000593044972 347031861 /nfs/dbraw/zinc/03/18/61/347031861.db2.gz DRWMSUPNLSLRCQ-CYBMUJFWSA-N 1 1 260.406 3.403 20 30 CGEDMO C[C@H](CSc1ccccc1)[N@@H+](C)CC1(C#N)CC1 ZINC000593044972 347031863 /nfs/dbraw/zinc/03/18/63/347031863.db2.gz DRWMSUPNLSLRCQ-CYBMUJFWSA-N 1 1 260.406 3.403 20 30 CGEDMO C[C@H]1C[N@@H+](CCCSCC#N)CCc2ccccc21 ZINC000593096022 347039234 /nfs/dbraw/zinc/03/92/34/347039234.db2.gz PPSRGFGBXXMTJJ-AWEZNQCLSA-N 1 1 274.433 3.295 20 30 CGEDMO Cc1cc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)ccc1C#N ZINC000593119353 347042329 /nfs/dbraw/zinc/04/23/29/347042329.db2.gz WILCEYZBZLJKLA-CQSZACIVSA-N 1 1 262.303 3.098 20 30 CGEDMO C[C@@H](C(=O)Nc1ccccc1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046526510 345041097 /nfs/dbraw/zinc/04/10/97/345041097.db2.gz YPTZHRVGQYGKJD-AWEZNQCLSA-N 1 1 293.370 3.017 20 30 CGEDMO C[C@@H](C(=O)Nc1ccccc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046526510 345041098 /nfs/dbraw/zinc/04/10/98/345041098.db2.gz YPTZHRVGQYGKJD-AWEZNQCLSA-N 1 1 293.370 3.017 20 30 CGEDMO CC[N@@H+](CCCc1cnn(C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340154 345133010 /nfs/dbraw/zinc/13/30/10/345133010.db2.gz OESGYGAKJKNUMF-HNNXBMFYSA-N 1 1 296.418 3.307 20 30 CGEDMO C=CC[N@H+](CCC(=O)OC(C)(C)C)Cc1cccs1 ZINC000055058488 345142788 /nfs/dbraw/zinc/14/27/88/345142788.db2.gz FAXBXYPRCZCHKF-UHFFFAOYSA-N 1 1 281.421 3.468 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(C)(C)C#N)cc2)C1 ZINC000055410187 345148029 /nfs/dbraw/zinc/14/80/29/345148029.db2.gz QIXUJFRAPFDOJX-AWEZNQCLSA-N 1 1 299.418 3.407 20 30 CGEDMO Cc1sc(NC(N)=[NH2+])nc1-c1ccc(C(C)(C)C)cc1 ZINC000058666734 345198881 /nfs/dbraw/zinc/19/88/81/345198881.db2.gz GUSOVVCEYKGABR-UHFFFAOYSA-N 1 1 288.420 3.321 20 30 CGEDMO Cc1cc(C)n(CC[N@@H+](Cc2ccc(C#N)cc2)C(C)C)n1 ZINC000068816320 345365185 /nfs/dbraw/zinc/36/51/85/345365185.db2.gz SUBWHFRABJJZEC-UHFFFAOYSA-N 1 1 296.418 3.282 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccn(-c2cccc(F)c2)n1 ZINC000076738369 345548564 /nfs/dbraw/zinc/54/85/64/345548564.db2.gz JQEKJKLWUTUHDV-UHFFFAOYSA-N 1 1 273.355 3.409 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2ncccc2C#N)C1 ZINC000076799124 345551326 /nfs/dbraw/zinc/55/13/26/345551326.db2.gz PGHUBYAUEWKJAB-GASCZTMLSA-N 1 1 286.423 3.123 20 30 CGEDMO C=CCCC[C@@H](C)[NH+]1CCN(C(=O)c2cccs2)CC1 ZINC000091507083 345817152 /nfs/dbraw/zinc/81/71/52/345817152.db2.gz VJQXGRFKDUUGRW-CQSZACIVSA-N 1 1 292.448 3.251 20 30 CGEDMO COCC[N@H+](CCC#N)CC[C@H]1CCC[C@H](C)C1 ZINC000089129857 345766028 /nfs/dbraw/zinc/76/60/28/345766028.db2.gz QZTGXUNCIUWNQT-LSDHHAIUSA-N 1 1 252.402 3.065 20 30 CGEDMO COCC[N@@H+](CCC#N)CC[C@H]1CCC[C@H](C)C1 ZINC000089129857 345766030 /nfs/dbraw/zinc/76/60/30/345766030.db2.gz QZTGXUNCIUWNQT-LSDHHAIUSA-N 1 1 252.402 3.065 20 30 CGEDMO C#CCOc1ccccc1C[N@H+](C)C1CCC(OC)CC1 ZINC000093415074 345877584 /nfs/dbraw/zinc/87/75/84/345877584.db2.gz SGHPERFIYSZXAK-UHFFFAOYSA-N 1 1 287.403 3.088 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+](C)Cc1ccsc1 ZINC000130402327 346057391 /nfs/dbraw/zinc/05/73/91/346057391.db2.gz VNZCVHZMLVRLFC-UHFFFAOYSA-N 1 1 272.373 3.260 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](C)Cc1ccsc1 ZINC000130402327 346057392 /nfs/dbraw/zinc/05/73/92/346057392.db2.gz VNZCVHZMLVRLFC-UHFFFAOYSA-N 1 1 272.373 3.260 20 30 CGEDMO Cc1ccc(C[NH2+][C@@H](C)CC#N)cc1Br ZINC000134972928 346085100 /nfs/dbraw/zinc/08/51/00/346085100.db2.gz DDHISPVFPHWMPG-JTQLQIEISA-N 1 1 267.170 3.149 20 30 CGEDMO CC[C@H]1CCC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000264178458 346404918 /nfs/dbraw/zinc/40/49/18/346404918.db2.gz XXWIACFSYJFNSC-AWEZNQCLSA-N 1 1 258.365 3.211 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCO[C@H](c3cccs3)C2)cc1 ZINC000289410001 346423398 /nfs/dbraw/zinc/42/33/98/346423398.db2.gz SWZAQGVUNFGQCV-INIZCTEOSA-N 1 1 283.396 3.303 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCO[C@H](c3cccs3)C2)cc1 ZINC000289410001 346423402 /nfs/dbraw/zinc/42/34/02/346423402.db2.gz SWZAQGVUNFGQCV-INIZCTEOSA-N 1 1 283.396 3.303 20 30 CGEDMO CC(C)[C@H]1CCCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000303711591 346445206 /nfs/dbraw/zinc/44/52/06/346445206.db2.gz UKMWNHPGAOTEBE-QGZVFWFLSA-N 1 1 272.392 3.448 20 30 CGEDMO C[C@@H]1Cc2[nH+]cn(CCOc3ccc(C#N)cc3)c2C[C@H]1C ZINC000319717447 346487804 /nfs/dbraw/zinc/48/78/04/346487804.db2.gz JWWMVHGCTDWMAG-ZIAGYGMSSA-N 1 1 295.386 3.205 20 30 CGEDMO CCOc1cc(C[NH2+]CC2(C#N)CCCC2)ccc1OC ZINC000593652344 347099183 /nfs/dbraw/zinc/09/91/83/347099183.db2.gz DEFYBCTUTAPXRY-UHFFFAOYSA-N 1 1 288.391 3.267 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]CC1(C#N)CCCC1 ZINC000593650656 347099284 /nfs/dbraw/zinc/09/92/84/347099284.db2.gz XEWRXIVJQRALQD-UHFFFAOYSA-N 1 1 270.376 3.425 20 30 CGEDMO N#CC1(C[NH2+]Cc2cc3cnccc3o2)CCCC1 ZINC000593654151 347099951 /nfs/dbraw/zinc/09/99/51/347099951.db2.gz RAIMIJIUMYOGOL-UHFFFAOYSA-N 1 1 255.321 3.001 20 30 CGEDMO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cn2)o1 ZINC000584818156 346716366 /nfs/dbraw/zinc/71/63/66/346716366.db2.gz COSSQSUHLHQCPC-INIZCTEOSA-N 1 1 297.358 3.030 20 30 CGEDMO COCc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cn2)o1 ZINC000584818156 346716367 /nfs/dbraw/zinc/71/63/67/346716367.db2.gz COSSQSUHLHQCPC-INIZCTEOSA-N 1 1 297.358 3.030 20 30 CGEDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CCCCCC#N)C1 ZINC000588305624 346759864 /nfs/dbraw/zinc/75/98/64/346759864.db2.gz ZGQAFBUYXYUGBS-HNNXBMFYSA-N 1 1 293.455 3.087 20 30 CGEDMO COC1(C[N@@H+]2Cc3cccc(C#N)c3C2)CCCCC1 ZINC000593697937 347105308 /nfs/dbraw/zinc/10/53/08/347105308.db2.gz PHLFNJFMNIAMJK-UHFFFAOYSA-N 1 1 270.376 3.223 20 30 CGEDMO COC1(C[N@H+]2Cc3cccc(C#N)c3C2)CCCCC1 ZINC000593697937 347105310 /nfs/dbraw/zinc/10/53/10/347105310.db2.gz PHLFNJFMNIAMJK-UHFFFAOYSA-N 1 1 270.376 3.223 20 30 CGEDMO CC[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccccc1F ZINC000594019594 347138212 /nfs/dbraw/zinc/13/82/12/347138212.db2.gz OOQZVZIYUJNQMG-IUODEOHRSA-N 1 1 259.328 3.310 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCSCC#N)CC2(CCCCC2)O1 ZINC000594058929 347146937 /nfs/dbraw/zinc/14/69/37/347146937.db2.gz UWCWVDQDKSZETJ-CQSZACIVSA-N 1 1 282.453 3.057 20 30 CGEDMO C[C@@H]1C[N@H+]([C@H]2CC[C@@H](C#N)C2)CC2(CCCCC2)O1 ZINC000594057792 347147291 /nfs/dbraw/zinc/14/72/91/347147291.db2.gz MWUNCEHFLLZYHV-KFWWJZLASA-N 1 1 262.397 3.102 20 30 CGEDMO C[C@@H](CC#N)[N@H+](C)CCCc1c(F)cccc1F ZINC000593962794 347124820 /nfs/dbraw/zinc/12/48/20/347124820.db2.gz YRKMLCGDIAJYTL-NSHDSACASA-N 1 1 252.308 3.131 20 30 CGEDMO C[C@@H](CC#N)[N@@H+](C)CCCc1c(F)cccc1F ZINC000593962794 347124822 /nfs/dbraw/zinc/12/48/22/347124822.db2.gz YRKMLCGDIAJYTL-NSHDSACASA-N 1 1 252.308 3.131 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000593987457 347131079 /nfs/dbraw/zinc/13/10/79/347131079.db2.gz QHDLBSJTTIBJHS-GOSISDBHSA-N 1 1 277.371 3.251 20 30 CGEDMO CC[N@H+](CCCN(C)C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594607574 347201888 /nfs/dbraw/zinc/20/18/88/347201888.db2.gz XJKUBAHWBMBOBR-UHFFFAOYSA-N 1 1 287.451 3.261 20 30 CGEDMO CC[N@@H+](CCCN(C)C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594607574 347201891 /nfs/dbraw/zinc/20/18/91/347201891.db2.gz XJKUBAHWBMBOBR-UHFFFAOYSA-N 1 1 287.451 3.261 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@H+](CC1Cc3ccccc3C1)C2 ZINC000594616077 347204895 /nfs/dbraw/zinc/20/48/95/347204895.db2.gz YZFZCIJPBZOVGP-UHFFFAOYSA-N 1 1 274.367 3.289 20 30 CGEDMO Cc1cc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)on1 ZINC000594497772 347179438 /nfs/dbraw/zinc/17/94/38/347179438.db2.gz GDVAXDUNSOOFDT-UHFFFAOYSA-N 1 1 269.348 3.074 20 30 CGEDMO CCc1nnc([C@@H](C)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)[nH]1 ZINC000594500505 347180266 /nfs/dbraw/zinc/18/02/66/347180266.db2.gz NOIKOYVGCZLDSM-GFCCVEGCSA-N 1 1 297.406 3.019 20 30 CGEDMO CC[N@@H+]1CCC[C@H](CNCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594501899 347180958 /nfs/dbraw/zinc/18/09/58/347180958.db2.gz DSDVEBLLNZKQPG-QGZVFWFLSA-N 1 1 299.462 3.309 20 30 CGEDMO CC[N@H+]1CCC[C@H](CNCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594501899 347180959 /nfs/dbraw/zinc/18/09/59/347180959.db2.gz DSDVEBLLNZKQPG-QGZVFWFLSA-N 1 1 299.462 3.309 20 30 CGEDMO C[C@@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1ccc(C#N)cc1F ZINC000594516428 347186389 /nfs/dbraw/zinc/18/63/89/347186389.db2.gz QWCGMUCRPOWJFC-VQTKTOELSA-N 1 1 296.345 3.006 20 30 CGEDMO COc1cccc(C[NH2+]CC2(C#N)CCCCC2)c1OC ZINC000594994298 347250992 /nfs/dbraw/zinc/25/09/92/347250992.db2.gz JYCZSYCOKMXQNG-UHFFFAOYSA-N 1 1 288.391 3.267 20 30 CGEDMO CC(C)(C)[N@@H+]1CC[C@H](NCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594955861 347239934 /nfs/dbraw/zinc/23/99/34/347239934.db2.gz GBTUJKZASHHPGG-KRWDZBQOSA-N 1 1 299.462 3.450 20 30 CGEDMO CC(C)(C)[N@H+]1CC[C@H](NCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594955861 347239938 /nfs/dbraw/zinc/23/99/38/347239938.db2.gz GBTUJKZASHHPGG-KRWDZBQOSA-N 1 1 299.462 3.450 20 30 CGEDMO CCCn1nc(C)c(C[NH2+]CC2(C#N)CCCCC2)c1C ZINC000594981722 347248397 /nfs/dbraw/zinc/24/83/97/347248397.db2.gz SXBBMBWMRGMCNU-UHFFFAOYSA-N 1 1 288.439 3.474 20 30 CGEDMO CC[C@@H]([NH2+][C@H](C)c1nccn1C)c1ccc(C#N)cc1 ZINC000595109097 347284841 /nfs/dbraw/zinc/28/48/41/347284841.db2.gz SYZJCHMSNMUEGE-IUODEOHRSA-N 1 1 268.364 3.094 20 30 CGEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1COC(C)(C)C1 ZINC000595297766 347288260 /nfs/dbraw/zinc/28/82/60/347288260.db2.gz YDPQOUWOVXKBCP-HNNXBMFYSA-N 1 1 290.363 3.150 20 30 CGEDMO CO[C@@H](C[N@@H+](CCC#N)CC1CC1)C1CCCCC1 ZINC000595331792 347292791 /nfs/dbraw/zinc/29/27/91/347292791.db2.gz CYYMXZLSDGRLGN-INIZCTEOSA-N 1 1 264.413 3.207 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCOC[C@H]2c2ccccc2)cc1 ZINC000595336131 347294043 /nfs/dbraw/zinc/29/40/43/347294043.db2.gz YQIKTADVECIIEM-IBGZPJMESA-N 1 1 292.382 3.174 20 30 CGEDMO CCC[N@@H+](CCc1ccc(C#N)cc1)C[C@@H]1CCCCO1 ZINC000595368214 347296753 /nfs/dbraw/zinc/29/67/53/347296753.db2.gz XQDNTIWFUAAOIG-SFHVURJKSA-N 1 1 286.419 3.382 20 30 CGEDMO CS[C@H]1CCCC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595388924 347297717 /nfs/dbraw/zinc/29/77/17/347297717.db2.gz YWELCRWFZIEOOP-INIZCTEOSA-N 1 1 274.433 3.318 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCC[C@H]2c2ccncc2)cc1 ZINC000595395961 347298563 /nfs/dbraw/zinc/29/85/63/347298563.db2.gz ADVAGOLPWJMPSZ-SFHVURJKSA-N 1 1 277.371 3.333 20 30 CGEDMO C[C@@H](c1ccncc1)[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595393320 347298619 /nfs/dbraw/zinc/29/86/19/347298619.db2.gz YGRCBKNSCYXKMC-AWEZNQCLSA-N 1 1 265.360 3.189 20 30 CGEDMO CC(C)(C)[N@@H+]1CC[C@H](N[C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000595057483 347272694 /nfs/dbraw/zinc/27/26/94/347272694.db2.gz XQVYLERWAMOZTO-DOTOQJQBSA-N 1 1 283.419 3.008 20 30 CGEDMO CC(C)(C)[N@H+]1CC[C@H](N[C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000595057483 347272696 /nfs/dbraw/zinc/27/26/96/347272696.db2.gz XQVYLERWAMOZTO-DOTOQJQBSA-N 1 1 283.419 3.008 20 30 CGEDMO C[C@H]([NH2+]Cc1c(C2CC2)cnn1C)c1ccc(C#N)cc1F ZINC000595075902 347278300 /nfs/dbraw/zinc/27/83/00/347278300.db2.gz BVQKTKHMJUJFOE-NSHDSACASA-N 1 1 298.365 3.159 20 30 CGEDMO CC[C@@H](C)[N@@H+](CC)CC(=O)N(CCC#N)c1ccccc1 ZINC000595593659 347322884 /nfs/dbraw/zinc/32/28/84/347322884.db2.gz SFKXZMCVVSHIED-OAHLLOKOSA-N 1 1 287.407 3.054 20 30 CGEDMO CC[N@@H+](CCCC(C)(C)C#N)[C@@H](C)C(=O)OC(C)(C)C ZINC000595601913 347324288 /nfs/dbraw/zinc/32/42/88/347324288.db2.gz QNFGOIRONTXOGB-ZDUSSCGKSA-N 1 1 282.428 3.368 20 30 CGEDMO CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000595609937 347326250 /nfs/dbraw/zinc/32/62/50/347326250.db2.gz QMJCGHFQPVUSIC-ZBFHGGJFSA-N 1 1 299.418 3.202 20 30 CGEDMO CCc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000595609937 347326252 /nfs/dbraw/zinc/32/62/52/347326252.db2.gz QMJCGHFQPVUSIC-ZBFHGGJFSA-N 1 1 299.418 3.202 20 30 CGEDMO COc1cccc(C[N@@H+]2CCC[C@@H](CC#N)C2)c1Cl ZINC000595623603 347329105 /nfs/dbraw/zinc/32/91/05/347329105.db2.gz VGVPNHVNXFEWDU-LBPRGKRZSA-N 1 1 278.783 3.474 20 30 CGEDMO COc1cccc(C[N@H+]2CCC[C@@H](CC#N)C2)c1Cl ZINC000595623603 347329107 /nfs/dbraw/zinc/32/91/07/347329107.db2.gz VGVPNHVNXFEWDU-LBPRGKRZSA-N 1 1 278.783 3.474 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000595657737 347334294 /nfs/dbraw/zinc/33/42/94/347334294.db2.gz BODMDAFYUUTGCV-LSDHHAIUSA-N 1 1 297.402 3.173 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@@H](C)c2ccc(C(=O)OC)o2)C1 ZINC000595660973 347335560 /nfs/dbraw/zinc/33/55/60/347335560.db2.gz UVAFAXJDUJJJRK-STQMWFEESA-N 1 1 277.364 3.415 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000595661054 347335670 /nfs/dbraw/zinc/33/56/70/347335670.db2.gz XAARDUGRZMWBMH-HUUCEWRRSA-N 1 1 297.402 3.173 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595786279 347356004 /nfs/dbraw/zinc/35/60/04/347356004.db2.gz HKKACBFWFNDTGD-MSOLQXFVSA-N 1 1 284.403 3.339 20 30 CGEDMO COCC[C@H]1CCCC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595443802 347304567 /nfs/dbraw/zinc/30/45/67/347304567.db2.gz YJTAJNLETRJWRX-GOSISDBHSA-N 1 1 286.419 3.239 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595482654 347309826 /nfs/dbraw/zinc/30/98/26/347309826.db2.gz TUGHUGIMHUPMQH-CYBMUJFWSA-N 1 1 264.300 3.274 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595482654 347309830 /nfs/dbraw/zinc/30/98/30/347309830.db2.gz TUGHUGIMHUPMQH-CYBMUJFWSA-N 1 1 264.300 3.274 20 30 CGEDMO N#Cc1ccc(CC[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 ZINC000595511006 347313668 /nfs/dbraw/zinc/31/36/68/347313668.db2.gz OBXFJJIQMYZUMV-QRVBRYPASA-N 1 1 298.430 3.116 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595808238 347357479 /nfs/dbraw/zinc/35/74/79/347357479.db2.gz NBPSREZCKJTXHE-UKRRQHHQSA-N 1 1 254.377 3.330 20 30 CGEDMO CCOC(=O)[C@@H]1CC[C@H](C)[N@@H+](CCCC(C)(C)C#N)[C@@H]1C ZINC000595554197 347318153 /nfs/dbraw/zinc/31/81/53/347318153.db2.gz IPYNIJUUBKUEGQ-RRFJBIMHSA-N 1 1 294.439 3.368 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCSC[C@H]2C2CCC2)cc1 ZINC000595553614 347318212 /nfs/dbraw/zinc/31/82/12/347318212.db2.gz ZXQWCKZBGNJQSU-KRWDZBQOSA-N 1 1 286.444 3.318 20 30 CGEDMO C[C@H](CCC#N)[NH2+][C@H](CO)c1cccc(Cl)c1Cl ZINC000595830393 347361997 /nfs/dbraw/zinc/36/19/97/347361997.db2.gz USLCDAMTYOKHIO-BXKDBHETSA-N 1 1 287.190 3.309 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](CCOc2cccc3ccccc32)C1 ZINC000595838572 347364548 /nfs/dbraw/zinc/36/45/48/347364548.db2.gz BUYGHCWQNRZSKD-GOSISDBHSA-N 1 1 280.371 3.454 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](CCOc2cccc3ccccc32)C1 ZINC000595838572 347364551 /nfs/dbraw/zinc/36/45/51/347364551.db2.gz BUYGHCWQNRZSKD-GOSISDBHSA-N 1 1 280.371 3.454 20 30 CGEDMO C[C@@H](c1ccc2c(c1)CCC2)[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595841351 347365498 /nfs/dbraw/zinc/36/54/98/347365498.db2.gz KOKNPQOSMYRKHW-GUYCJALGSA-N 1 1 254.377 3.472 20 30 CGEDMO CO[C@H](C[N@@H+]1CC[C@@](C)(C#N)C1)c1ccc(Cl)cc1 ZINC000595845097 347367351 /nfs/dbraw/zinc/36/73/51/347367351.db2.gz YWVLQZMSOHUWIO-CABCVRRESA-N 1 1 278.783 3.263 20 30 CGEDMO CO[C@H](C[N@H+]1CC[C@@](C)(C#N)C1)c1ccc(Cl)cc1 ZINC000595845097 347367353 /nfs/dbraw/zinc/36/73/53/347367353.db2.gz YWVLQZMSOHUWIO-CABCVRRESA-N 1 1 278.783 3.263 20 30 CGEDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)ccc1C#N ZINC000595858271 347368139 /nfs/dbraw/zinc/36/81/39/347368139.db2.gz VGGYSCQKLCEOEN-POYXUOKUSA-N 1 1 258.340 3.460 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCCC[C@@H]2CC2CCC2)ccn1 ZINC000595873381 347369015 /nfs/dbraw/zinc/36/90/15/347369015.db2.gz ZZQUSVLDQWFBCY-QGZVFWFLSA-N 1 1 269.392 3.498 20 30 CGEDMO CC[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000595867342 347369125 /nfs/dbraw/zinc/36/91/25/347369125.db2.gz LTPWZFUFMMSDLB-XJKSGUPXSA-N 1 1 285.391 3.150 20 30 CGEDMO CC(C)(C)[N@H+]1CC[C@@H](CNc2ncc(C#N)cc2Cl)C1 ZINC000596307803 347414205 /nfs/dbraw/zinc/41/42/05/347414205.db2.gz PESINNCNECFEOE-NSHDSACASA-N 1 1 292.814 3.139 20 30 CGEDMO CC[N@@H+](CCOc1ccccc1OC)[C@H](C)CCC#N ZINC000595884431 347370037 /nfs/dbraw/zinc/37/00/37/347370037.db2.gz FNKCAHLUWZKTDR-CQSZACIVSA-N 1 1 276.380 3.088 20 30 CGEDMO C[C@H](NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cccc(C#N)c1 ZINC000596095909 347382309 /nfs/dbraw/zinc/38/23/09/347382309.db2.gz RBLSBUDVSVCQQM-MAUKXSAKSA-N 1 1 297.446 3.331 20 30 CGEDMO C[C@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(C#N)c1 ZINC000596095909 347382312 /nfs/dbraw/zinc/38/23/12/347382312.db2.gz RBLSBUDVSVCQQM-MAUKXSAKSA-N 1 1 297.446 3.331 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000597174254 347544576 /nfs/dbraw/zinc/54/45/76/347544576.db2.gz ONWGHPGJWZZVEK-CYBMUJFWSA-N 1 1 294.345 3.456 20 30 CGEDMO CCOC[C@@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597025878 347528844 /nfs/dbraw/zinc/52/88/44/347528844.db2.gz ILAGYHGDILQSLZ-MRXNPFEDSA-N 1 1 284.403 3.100 20 30 CGEDMO Cc1ncsc1-c1ccc(C[NH2+]C[C@@H](C)C#N)cc1 ZINC000597082432 347533789 /nfs/dbraw/zinc/53/37/89/347533789.db2.gz JSQMKXTVZCZBHI-NSHDSACASA-N 1 1 271.389 3.368 20 30 CGEDMO CC1=CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597125088 347537267 /nfs/dbraw/zinc/53/72/67/347537267.db2.gz VQOFJNPYMBGHFQ-UHFFFAOYSA-N 1 1 252.361 3.394 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CCCO1 ZINC000597136406 347539052 /nfs/dbraw/zinc/53/90/52/347539052.db2.gz WDMKSBRWVXLZKB-GOSISDBHSA-N 1 1 298.430 3.489 20 30 CGEDMO COc1ccc2c(c1)CC[N@@H+](Cc1cc(C#N)cs1)C2 ZINC000597211049 347555117 /nfs/dbraw/zinc/55/51/17/347555117.db2.gz KHGVVOFXFHUMEX-UHFFFAOYSA-N 1 1 284.384 3.187 20 30 CGEDMO COc1ccc2c(c1)CC[N@H+](Cc1cc(C#N)cs1)C2 ZINC000597211049 347555119 /nfs/dbraw/zinc/55/51/19/347555119.db2.gz KHGVVOFXFHUMEX-UHFFFAOYSA-N 1 1 284.384 3.187 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c1 ZINC000597224347 347556890 /nfs/dbraw/zinc/55/68/90/347556890.db2.gz GULABVBNWNKCOL-GOEBONIOSA-N 1 1 290.432 3.401 20 30 CGEDMO CCOc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)c(C)c1 ZINC000597230103 347558539 /nfs/dbraw/zinc/55/85/39/347558539.db2.gz FPQLFRSKQDXUHV-MRXNPFEDSA-N 1 1 258.365 3.129 20 30 CGEDMO CCOc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)c(C)c1 ZINC000597230103 347558542 /nfs/dbraw/zinc/55/85/42/347558542.db2.gz FPQLFRSKQDXUHV-MRXNPFEDSA-N 1 1 258.365 3.129 20 30 CGEDMO CC(C)COc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000597230848 347558733 /nfs/dbraw/zinc/55/87/33/347558733.db2.gz UFNMRBACOGCFAJ-QGZVFWFLSA-N 1 1 272.392 3.457 20 30 CGEDMO CC(C)COc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000597230848 347558736 /nfs/dbraw/zinc/55/87/36/347558736.db2.gz UFNMRBACOGCFAJ-QGZVFWFLSA-N 1 1 272.392 3.457 20 30 CGEDMO N#CCC1C[NH+](Cc2cc(Cl)cc3cccnc32)C1 ZINC000597194242 347548694 /nfs/dbraw/zinc/54/86/94/347548694.db2.gz PEFMQGNESFRZJD-UHFFFAOYSA-N 1 1 271.751 3.234 20 30 CGEDMO C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(C#N)c(F)c1 ZINC000599069294 347713972 /nfs/dbraw/zinc/71/39/72/347713972.db2.gz FKFNZXZYXKICKQ-KGLIPLIRSA-N 1 1 289.398 3.080 20 30 CGEDMO C[C@@H](c1cc(F)ccc1F)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598585514 347666801 /nfs/dbraw/zinc/66/68/01/347666801.db2.gz FPNOBYJIGVHAEG-AAEUAGOBSA-N 1 1 296.361 3.258 20 30 CGEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)CC(C)(C)C#N ZINC000598586281 347666969 /nfs/dbraw/zinc/66/69/69/347666969.db2.gz DPRVZOVCYQFOBZ-KRWDZBQOSA-N 1 1 299.418 3.069 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000598592279 347667706 /nfs/dbraw/zinc/66/77/06/347667706.db2.gz IQYBBBKFWMLESB-NVXWUHKLSA-N 1 1 276.424 3.109 20 30 CGEDMO CC(C)C[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1CCCC1 ZINC000598591188 347667718 /nfs/dbraw/zinc/66/77/18/347667718.db2.gz VPPUMHCLCYUFGH-HNNXBMFYSA-N 1 1 266.429 3.188 20 30 CGEDMO C[N@@H+](CCC1CCCCC1)C[C@H](O)CC(C)(C)C#N ZINC000598590640 347667864 /nfs/dbraw/zinc/66/78/64/347667864.db2.gz RWKGZZDIOLPDGS-OAHLLOKOSA-N 1 1 266.429 3.189 20 30 CGEDMO CC(C)[C@H]1CCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598594103 347668396 /nfs/dbraw/zinc/66/83/96/347668396.db2.gz XVSXJGHLEOWCFV-GJZGRUSLSA-N 1 1 266.429 3.045 20 30 CGEDMO Cc1ccc([C@@H]2CCCC[N@H+]2C[C@H](O)CC(C)(C)C#N)o1 ZINC000598593514 347668462 /nfs/dbraw/zinc/66/84/62/347668462.db2.gz UHEIHSXTMKGUCS-CABCVRRESA-N 1 1 290.407 3.416 20 30 CGEDMO C[N@H+](Cc1ccc(Cl)c(F)c1)C[C@@H](O)CC(C)(C)C#N ZINC000598598951 347669321 /nfs/dbraw/zinc/66/93/21/347669321.db2.gz KFYCCEUUHSQNPG-LBPRGKRZSA-N 1 1 298.789 3.212 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCCC12CCCCC2 ZINC000598599416 347669366 /nfs/dbraw/zinc/66/93/66/347669366.db2.gz NQFQPHFTGMDMFZ-AWEZNQCLSA-N 1 1 264.413 3.086 20 30 CGEDMO CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)[C@H](C)c1cccc(O)c1 ZINC000598595394 347669400 /nfs/dbraw/zinc/66/94/00/347669400.db2.gz NQVCXLITZFWRAA-CJNGLKHVSA-N 1 1 290.407 3.076 20 30 CGEDMO C[N@H+](Cc1ccc(F)c(Cl)c1)C[C@@H](O)CC(C)(C)C#N ZINC000598609967 347670583 /nfs/dbraw/zinc/67/05/83/347670583.db2.gz LZMCCGVGCATVLI-LBPRGKRZSA-N 1 1 298.789 3.212 20 30 CGEDMO N#CCc1ccc(C[N@@H+]2CCc3c(O)cccc3C2)cc1 ZINC000599648220 347761778 /nfs/dbraw/zinc/76/17/78/347761778.db2.gz VTTJGJLRGHUJLU-UHFFFAOYSA-N 1 1 278.355 3.017 20 30 CGEDMO C/C=C/C[C@@H]1CCC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000599688974 347766024 /nfs/dbraw/zinc/76/60/24/347766024.db2.gz GYQVOIVGJDGYSZ-BAABZTOOSA-N 1 1 255.365 3.131 20 30 CGEDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(C)c(C#N)c2)C[C@H]1C ZINC000599319440 347735463 /nfs/dbraw/zinc/73/54/63/347735463.db2.gz ZPTSZNKCOFFPPP-QAPCUYQASA-N 1 1 285.435 3.171 20 30 CGEDMO CCN1CC[C@H]([N@H+](C)Cc2ccc(C)c(C#N)c2)C[C@H]1C ZINC000599319440 347735481 /nfs/dbraw/zinc/73/54/81/347735481.db2.gz ZPTSZNKCOFFPPP-QAPCUYQASA-N 1 1 285.435 3.171 20 30 CGEDMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(C)c(C#N)c2)C[C@H]1C ZINC000599319440 347735482 /nfs/dbraw/zinc/73/54/82/347735482.db2.gz ZPTSZNKCOFFPPP-QAPCUYQASA-N 1 1 285.435 3.171 20 30 CGEDMO Cc1ccc(C[NH+]2CC3(C2)CC(F)(F)C3)cc1C#N ZINC000599339819 347737064 /nfs/dbraw/zinc/73/70/64/347737064.db2.gz VSKGLFPCIKWVFI-UHFFFAOYSA-N 1 1 262.303 3.098 20 30 CGEDMO CO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C)c(C#N)c2)C12CCC2 ZINC000599434848 347744502 /nfs/dbraw/zinc/74/45/02/347744502.db2.gz JWVUXHBPAJJQJK-DLBZAZTESA-N 1 1 284.403 3.256 20 30 CGEDMO Cc1ccc(C[N@H+]2C[C@@H](C)OCC23CCC3)cc1C#N ZINC000599451295 347746143 /nfs/dbraw/zinc/74/61/43/347746143.db2.gz VWOLDQXBIAYVSP-CQSZACIVSA-N 1 1 270.376 3.010 20 30 CGEDMO Cc1ccc(C[N@@H+]2C[C@@H](C)OCC23CCC3)cc1C#N ZINC000599451295 347746145 /nfs/dbraw/zinc/74/61/45/347746145.db2.gz VWOLDQXBIAYVSP-CQSZACIVSA-N 1 1 270.376 3.010 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@H](OC3CCC3)C2)cc1C#N ZINC000599454549 347746864 /nfs/dbraw/zinc/74/68/64/347746864.db2.gz QNPFGDQCEHGFKT-SFHVURJKSA-N 1 1 284.403 3.400 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@@H](c3cccnc3)C2)cc1C#N ZINC000599454806 347746947 /nfs/dbraw/zinc/74/69/47/347746947.db2.gz CEDCLHLREYHWTM-QGZVFWFLSA-N 1 1 277.371 3.251 20 30 CGEDMO CC(C)(C)OC(=O)[C@@]1(C)CCC[N@@H+]1CCC(C)(C)C#N ZINC000599494181 347748358 /nfs/dbraw/zinc/74/83/58/347748358.db2.gz FPGDPENUSAOXEB-MRXNPFEDSA-N 1 1 280.412 3.122 20 30 CGEDMO CC(C)(C)OC(=O)[C@@]1(C)CCC[N@H+]1CCC(C)(C)C#N ZINC000599494181 347748361 /nfs/dbraw/zinc/74/83/61/347748361.db2.gz FPGDPENUSAOXEB-MRXNPFEDSA-N 1 1 280.412 3.122 20 30 CGEDMO C[C@@H]1C[N@H+](CCOc2ccccc2C#N)C[C@H](C)C1(F)F ZINC000599514781 347750110 /nfs/dbraw/zinc/75/01/10/347750110.db2.gz ZVBSSBOLQWAZLX-BETUJISGSA-N 1 1 294.345 3.160 20 30 CGEDMO Cc1nc(C)c(C[NH2+]Cc2ccc(C#N)c(Cl)c2)o1 ZINC000600157457 347786205 /nfs/dbraw/zinc/78/62/05/347786205.db2.gz VZXXBDDUFABCSQ-UHFFFAOYSA-N 1 1 275.739 3.106 20 30 CGEDMO C[C@]1(C2CCCCC2)CC[N@H+]1C[C@H](C#N)CCC#N ZINC000601963454 347930070 /nfs/dbraw/zinc/93/00/70/347930070.db2.gz TVDGOILKQFFURB-GOEBONIOSA-N 1 1 259.397 3.475 20 30 CGEDMO C[C@@]1(C2CCCCC2)CC[N@H+]1C[C@H](C#N)CCC#N ZINC000601963457 347930096 /nfs/dbraw/zinc/93/00/96/347930096.db2.gz TVDGOILKQFFURB-HOCLYGCPSA-N 1 1 259.397 3.475 20 30 CGEDMO COc1cc(C#N)ccc1NCc1c(C)cc(C)[nH+]c1C ZINC000601925096 347924435 /nfs/dbraw/zinc/92/44/35/347924435.db2.gz DHLDSOSZVBMJOJ-UHFFFAOYSA-N 1 1 281.359 3.499 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000602439738 347958476 /nfs/dbraw/zinc/95/84/76/347958476.db2.gz MNCFSWPBZUAMID-CYBMUJFWSA-N 1 1 287.363 3.499 20 30 CGEDMO COCC[N@@H+](Cc1cccc(C#N)n1)[C@H](C)c1ccccc1 ZINC000602445440 347959380 /nfs/dbraw/zinc/95/93/80/347959380.db2.gz VQOFJCNKTSVORU-OAHLLOKOSA-N 1 1 295.386 3.163 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCOc2ccccc2[C@H]1C ZINC000602446763 347959429 /nfs/dbraw/zinc/95/94/29/347959429.db2.gz AHXBFLLHLDACMH-UONOGXRCSA-N 1 1 258.365 3.382 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]2C2CCCC2)n1 ZINC000602449262 347960013 /nfs/dbraw/zinc/96/00/13/347960013.db2.gz PNYBDQONSKHFKR-MRXNPFEDSA-N 1 1 255.365 3.108 20 30 CGEDMO CC[N@H+](C[C@H](C)C#N)[C@@H]1CCc2cc(OC)c(OC)cc21 ZINC000602448444 347960195 /nfs/dbraw/zinc/96/01/95/347960195.db2.gz UFRIHXBWIZUWDD-IUODEOHRSA-N 1 1 288.391 3.173 20 30 CGEDMO CC[N@@H+](C[C@H](C)C#N)[C@@H]1CCc2cc(OC)c(OC)cc21 ZINC000602448444 347960196 /nfs/dbraw/zinc/96/01/96/347960196.db2.gz UFRIHXBWIZUWDD-IUODEOHRSA-N 1 1 288.391 3.173 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000602453256 347960977 /nfs/dbraw/zinc/96/09/77/347960977.db2.gz HTYCUVZIKKOBQH-HLLBOEOZSA-N 1 1 272.392 3.388 20 30 CGEDMO COc1ccc2c(c1)CCC[N@H+](C[C@H](C)CCC#N)C2 ZINC000602462488 347961740 /nfs/dbraw/zinc/96/17/40/347961740.db2.gz NCDQGDFEDMXSIC-CQSZACIVSA-N 1 1 272.392 3.383 20 30 CGEDMO N#CCC[N@@H+](CC1CC1)C[C@H]1CCN(c2ccccc2)C1 ZINC000602464498 347962218 /nfs/dbraw/zinc/96/22/18/347962218.db2.gz YKBFSMJKOORQJN-QGZVFWFLSA-N 1 1 283.419 3.139 20 30 CGEDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cc1cccc(C#N)n1 ZINC000602477947 347964823 /nfs/dbraw/zinc/96/48/23/347964823.db2.gz UTXATQGLAHAEKG-WBVHZDCISA-N 1 1 291.398 3.406 20 30 CGEDMO CCS[C@@H](C)c1noc(C[N@H+](C)C[C@@H](C)CCC#N)n1 ZINC000602483328 347967154 /nfs/dbraw/zinc/96/71/54/347967154.db2.gz GGAZXFFBDZKTHW-RYUDHWBXSA-N 1 1 296.440 3.255 20 30 CGEDMO CCS[C@@H](C)c1noc(C[N@@H+](C)C[C@@H](C)CCC#N)n1 ZINC000602483328 347967155 /nfs/dbraw/zinc/96/71/55/347967155.db2.gz GGAZXFFBDZKTHW-RYUDHWBXSA-N 1 1 296.440 3.255 20 30 CGEDMO C[C@@H]([NH2+]C[C@@H](C)CCC#N)c1noc(Cc2ccccc2)n1 ZINC000602573112 347986013 /nfs/dbraw/zinc/98/60/13/347986013.db2.gz NTIHNCXXZIBLGF-UONOGXRCSA-N 1 1 298.390 3.251 20 30 CGEDMO Cc1nc2c(s1)[C@H]([N@@H+](C)CC1(CC#N)CC1)CCC2 ZINC000602790061 348030084 /nfs/dbraw/zinc/03/00/84/348030084.db2.gz GBVFVXDURLUPMQ-CYBMUJFWSA-N 1 1 275.421 3.455 20 30 CGEDMO COc1cc2c(cc1F)C[N@@H+](C[C@H](C)CCC#N)CC2 ZINC000602584712 347989028 /nfs/dbraw/zinc/98/90/28/347989028.db2.gz JIMHJSNAYZLHRG-GFCCVEGCSA-N 1 1 276.355 3.132 20 30 CGEDMO C[C@H](CCC#N)C[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000602590236 347990224 /nfs/dbraw/zinc/99/02/24/347990224.db2.gz YDLXLBIUVYYMNJ-ZIFCJYIRSA-N 1 1 299.462 3.426 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000602608592 347992787 /nfs/dbraw/zinc/99/27/87/347992787.db2.gz PNXRCEWROWQGPN-BBRMVZONSA-N 1 1 276.355 3.219 20 30 CGEDMO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602630669 347996780 /nfs/dbraw/zinc/99/67/80/347996780.db2.gz QTDCHXCGUKDHPN-GFCCVEGCSA-N 1 1 283.297 3.116 20 30 CGEDMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1cccc(C#N)n1 ZINC000602630669 347996782 /nfs/dbraw/zinc/99/67/82/347996782.db2.gz QTDCHXCGUKDHPN-GFCCVEGCSA-N 1 1 283.297 3.116 20 30 CGEDMO Cc1ccccc1C[C@H](C)[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602636540 347997684 /nfs/dbraw/zinc/99/76/84/347997684.db2.gz IKWCWDRFDGQQFY-HNNXBMFYSA-N 1 1 279.387 3.325 20 30 CGEDMO C[C@H](CCC#N)C[NH2+]C[C@H]1CCCN1C1CCCCC1 ZINC000602645512 347999958 /nfs/dbraw/zinc/99/99/58/347999958.db2.gz JNEUPNLKQZKPOJ-NVXWUHKLSA-N 1 1 277.456 3.313 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000602659773 348002962 /nfs/dbraw/zinc/00/29/62/348002962.db2.gz WYNRMTKOENREGO-CYBMUJFWSA-N 1 1 275.352 3.009 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000602663287 348003667 /nfs/dbraw/zinc/00/36/67/348003667.db2.gz SEKJYXYIQCCBAS-NXWXRZEISA-N 1 1 298.430 3.431 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](c3ccccc3)C2)n1 ZINC000602672265 348005704 /nfs/dbraw/zinc/00/57/04/348005704.db2.gz XTDPZMBMWYRHQQ-INIZCTEOSA-N 1 1 277.371 3.333 20 30 CGEDMO CC(C)C[C@@]1(C)CCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602678093 348007433 /nfs/dbraw/zinc/00/74/33/348007433.db2.gz BXHASGROQHYHIR-MRXNPFEDSA-N 1 1 257.381 3.354 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000602688347 348009724 /nfs/dbraw/zinc/00/97/24/348009724.db2.gz AZHWKFWNBOQWJG-SJORKVTESA-N 1 1 285.435 3.133 20 30 CGEDMO CCC[C@@H](C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1)OC ZINC000602691204 348009858 /nfs/dbraw/zinc/00/98/58/348009858.db2.gz DVGAQUOUJYRLBE-BBRMVZONSA-N 1 1 260.381 3.366 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCC[C@@H]1CCO1 ZINC000602692400 348010472 /nfs/dbraw/zinc/01/04/72/348010472.db2.gz NCIPQFSXQMTJHH-CZUORRHYSA-N 1 1 258.365 3.120 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000602702606 348012685 /nfs/dbraw/zinc/01/26/85/348012685.db2.gz UMOAFWKDXNFYDJ-ZBFHGGJFSA-N 1 1 258.365 3.080 20 30 CGEDMO CC[C@@]1(O)CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000602740914 348022462 /nfs/dbraw/zinc/02/24/62/348022462.db2.gz RCJOCICRNNLPGL-GOSISDBHSA-N 1 1 286.419 3.225 20 30 CGEDMO C[N@@H+](CCCOc1ccc(F)cc1)CC1(CC#N)CC1 ZINC000602762187 348024816 /nfs/dbraw/zinc/02/48/16/348024816.db2.gz KQTCCFTWXYUHKB-UHFFFAOYSA-N 1 1 276.355 3.220 20 30 CGEDMO CCC[N@@H+](CC1(CC#N)CC1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000602778502 348027131 /nfs/dbraw/zinc/02/71/31/348027131.db2.gz IFFWPZIWVMAHJG-ZNMIVQPWSA-N 1 1 276.424 3.206 20 30 CGEDMO N#Cc1cccc(C[NH2+]Cc2ccccc2OC2CCC2)n1 ZINC000602545589 347979147 /nfs/dbraw/zinc/97/91/47/347979147.db2.gz GPKAWYVHGOHERC-UHFFFAOYSA-N 1 1 293.370 3.174 20 30 CGEDMO COCc1cc(C#N)ccc1N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000603403468 348080062 /nfs/dbraw/zinc/08/00/62/348080062.db2.gz NWRDXANZKGEYCS-ROUUACIJSA-N 1 1 299.418 3.133 20 30 CGEDMO COCc1cc(C#N)ccc1N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000603403469 348079681 /nfs/dbraw/zinc/07/96/81/348079681.db2.gz NWRDXANZKGEYCS-ZWKOTPCHSA-N 1 1 299.418 3.133 20 30 CGEDMO CCn1ccnc1[C@@H]1CCCC[N@@H+]1CC1(CC#N)CC1 ZINC000602829070 348034686 /nfs/dbraw/zinc/03/46/86/348034686.db2.gz UVFDMFVTDWNMBA-AWEZNQCLSA-N 1 1 272.396 3.124 20 30 CGEDMO CCn1ccnc1[C@@H]1CCCC[N@H+]1CC1(CC#N)CC1 ZINC000602829070 348034688 /nfs/dbraw/zinc/03/46/88/348034688.db2.gz UVFDMFVTDWNMBA-AWEZNQCLSA-N 1 1 272.396 3.124 20 30 CGEDMO N#CCC1(C[N@@H+]2CCc3cccc(Cl)c3C2)CC1 ZINC000602839960 348035496 /nfs/dbraw/zinc/03/54/96/348035496.db2.gz FSWIGVKVEMIUMQ-UHFFFAOYSA-N 1 1 260.768 3.392 20 30 CGEDMO N#CCC1(C[N@H+]2CCc3cccc(Cl)c3C2)CC1 ZINC000602839960 348035498 /nfs/dbraw/zinc/03/54/98/348035498.db2.gz FSWIGVKVEMIUMQ-UHFFFAOYSA-N 1 1 260.768 3.392 20 30 CGEDMO CC(C)([NH2+]CC1(CC#N)CC1)c1cc(C(F)(F)F)on1 ZINC000602841865 348035525 /nfs/dbraw/zinc/03/55/25/348035525.db2.gz SRFTWVZDXQCWFR-UHFFFAOYSA-N 1 1 287.285 3.212 20 30 CGEDMO N#CCC1(C[N@H+]2CCC[C@H]2COc2ccccc2)CC1 ZINC000602836646 348035665 /nfs/dbraw/zinc/03/56/65/348035665.db2.gz PUDHRBVLHMXCOB-HNNXBMFYSA-N 1 1 270.376 3.224 20 30 CGEDMO C[C@@H]1C[N@H+](CC[C@H]2CCc3ccccc32)C[C@H](C)N1CC#N ZINC000602848195 348036468 /nfs/dbraw/zinc/03/64/68/348036468.db2.gz FIUZURJLSAYJSZ-SOLBZPMBSA-N 1 1 297.446 3.025 20 30 CGEDMO N#CCC1(C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000602844138 348036557 /nfs/dbraw/zinc/03/65/57/348036557.db2.gz AYUSRZAETZVEQK-HUUCEWRRSA-N 1 1 290.794 3.142 20 30 CGEDMO N#CCC1(C[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000602844138 348036560 /nfs/dbraw/zinc/03/65/60/348036560.db2.gz AYUSRZAETZVEQK-HUUCEWRRSA-N 1 1 290.794 3.142 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000602888859 348040857 /nfs/dbraw/zinc/04/08/57/348040857.db2.gz SZLWSDUTQNJLKI-HNNXBMFYSA-N 1 1 294.402 3.359 20 30 CGEDMO CC1(C)C[N@@H+](CCCSCC#N)[C@@H]1c1ccco1 ZINC000602928561 348045727 /nfs/dbraw/zinc/04/57/27/348045727.db2.gz ZVAJGBYBDPGGET-CYBMUJFWSA-N 1 1 264.394 3.309 20 30 CGEDMO N#Cc1ccc(F)cc1C[NH+]1CCC(CCF)CC1 ZINC000602950907 348046825 /nfs/dbraw/zinc/04/68/25/348046825.db2.gz PRQIFIRYHVJBEV-UHFFFAOYSA-N 1 1 264.319 3.269 20 30 CGEDMO C[C@@H]1CCCC[C@@H]1OCC[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602975866 348048660 /nfs/dbraw/zinc/04/86/60/348048660.db2.gz IDOPQXTUWYTLSG-UGUYLWEFSA-N 1 1 264.413 3.206 20 30 CGEDMO C[C@@H]1CCCC[C@@H]1OCC[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602975866 348048661 /nfs/dbraw/zinc/04/86/61/348048661.db2.gz IDOPQXTUWYTLSG-UGUYLWEFSA-N 1 1 264.413 3.206 20 30 CGEDMO C[N@H+](CCSc1ccccc1)[C@H]1CCC[C@@H]1C#N ZINC000602979012 348050456 /nfs/dbraw/zinc/05/04/56/348050456.db2.gz ZXEQILUKZIIZLN-HIFRSBDPSA-N 1 1 260.406 3.403 20 30 CGEDMO C[N@@H+](CCSc1ccccc1)[C@H]1CCC[C@@H]1C#N ZINC000602979012 348050458 /nfs/dbraw/zinc/05/04/58/348050458.db2.gz ZXEQILUKZIIZLN-HIFRSBDPSA-N 1 1 260.406 3.403 20 30 CGEDMO C[N@@H+](C[C@@H]1C[C@H]1c1ccccc1)[C@H]1CCC[C@H]1C#N ZINC000602981901 348051359 /nfs/dbraw/zinc/05/13/59/348051359.db2.gz KYVCRFACQOPWIA-QAETUUGQSA-N 1 1 254.377 3.414 20 30 CGEDMO C[N@H+](Cc1ccc2ncccc2c1)[C@H]1CCC[C@@H]1C#N ZINC000602980754 348051638 /nfs/dbraw/zinc/05/16/38/348051638.db2.gz VGDJSDDWVBDPPK-WBVHZDCISA-N 1 1 265.360 3.359 20 30 CGEDMO C[N@@H+](Cc1ccc2ncccc2c1)[C@H]1CCC[C@@H]1C#N ZINC000602980754 348051642 /nfs/dbraw/zinc/05/16/42/348051642.db2.gz VGDJSDDWVBDPPK-WBVHZDCISA-N 1 1 265.360 3.359 20 30 CGEDMO C[N@H+](CCc1c(F)cccc1F)[C@H]1CCC[C@@H]1C#N ZINC000602982295 348052593 /nfs/dbraw/zinc/05/25/93/348052593.db2.gz QJKDILXZSNCAIY-ABAIWWIYSA-N 1 1 264.319 3.131 20 30 CGEDMO C[N@@H+](CCc1c(F)cccc1F)[C@H]1CCC[C@@H]1C#N ZINC000602982295 348052594 /nfs/dbraw/zinc/05/25/94/348052594.db2.gz QJKDILXZSNCAIY-ABAIWWIYSA-N 1 1 264.319 3.131 20 30 CGEDMO C=C(C)C[NH+]1CCC(NCc2nccc3ccccc32)CC1 ZINC000607167585 348227013 /nfs/dbraw/zinc/22/70/13/348227013.db2.gz VOIXOXGRJFKPBW-UHFFFAOYSA-N 1 1 295.430 3.365 20 30 CGEDMO C[C@H]([NH2+]Cc1nc2ccccc2n1C)c1cccc(C#N)c1 ZINC000610345276 348376471 /nfs/dbraw/zinc/37/64/71/348376471.db2.gz ZMPITNFDKIVPHJ-ZDUSSCGKSA-N 1 1 290.370 3.296 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@H]2c2cccs2)ccn1 ZINC000610991614 348414108 /nfs/dbraw/zinc/41/41/08/348414108.db2.gz UGQXUVKEWWKJOW-AWEZNQCLSA-N 1 1 269.373 3.352 20 30 CGEDMO CC[C@H](C)[C@H](C)[N@@H+](Cc1ccnc(C#N)c1)C1CC1 ZINC000610992642 348414923 /nfs/dbraw/zinc/41/49/23/348414923.db2.gz WPBJLTSKMSURIN-STQMWFEESA-N 1 1 257.381 3.352 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCCC3(CCCCC3)C2)ccn1 ZINC000610992694 348415329 /nfs/dbraw/zinc/41/53/29/348415329.db2.gz CGQMQFOYHFMLMQ-UHFFFAOYSA-N 1 1 269.392 3.500 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)ccn1 ZINC000610995194 348417694 /nfs/dbraw/zinc/41/76/94/348417694.db2.gz XLRVLJGLFXXCJW-QGZVFWFLSA-N 1 1 292.386 3.030 20 30 CGEDMO C[C@H]1Cc2ccccc2C[N@H+]1CCOc1ccccc1C#N ZINC000357807091 233009560 /nfs/dbraw/zinc/00/95/60/233009560.db2.gz NUUKSCQNSIDCPF-HNNXBMFYSA-N 1 1 292.382 3.384 20 30 CGEDMO CO[C@H](C[NH2+]C[C@H](C#N)CCC#N)c1ccccc1Cl ZINC000610783481 348403307 /nfs/dbraw/zinc/40/33/07/348403307.db2.gz YSGOFPHVAXBGRZ-SWLSCSKDSA-N 1 1 291.782 3.061 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2C[C@H](C)C[C@H]2C)c1C#N ZINC000611348174 348440247 /nfs/dbraw/zinc/44/02/47/348440247.db2.gz RKLIEYFPIUIZDW-ZIAGYGMSSA-N 1 1 294.402 3.283 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2C[C@H](C)C[C@H]2C)c1C#N ZINC000611348174 348440249 /nfs/dbraw/zinc/44/02/49/348440249.db2.gz RKLIEYFPIUIZDW-ZIAGYGMSSA-N 1 1 294.402 3.283 20 30 CGEDMO C[C@H]([NH2+]Cc1ccncc1Cl)c1cccc(C#N)c1 ZINC000611387971 348443705 /nfs/dbraw/zinc/44/37/05/348443705.db2.gz BIHDVXVIFKCMJB-NSHDSACASA-N 1 1 271.751 3.457 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000611392863 348445269 /nfs/dbraw/zinc/44/52/69/348445269.db2.gz RELLGEIURRZRIJ-PKOBYXMFSA-N 1 1 295.430 3.010 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000611392863 348445270 /nfs/dbraw/zinc/44/52/70/348445270.db2.gz RELLGEIURRZRIJ-PKOBYXMFSA-N 1 1 295.430 3.010 20 30 CGEDMO C[N@@H+](C[C@@H]1CCCO[C@H]1c1ccccc1)CC1(C#N)CC1 ZINC000611429401 348451355 /nfs/dbraw/zinc/45/13/55/348451355.db2.gz LXCJWYFSMHLTKX-IRXDYDNUSA-N 1 1 284.403 3.390 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000611462979 348453382 /nfs/dbraw/zinc/45/33/82/348453382.db2.gz WXAREBNBGNDRFU-LSDHHAIUSA-N 1 1 264.413 3.065 20 30 CGEDMO C=CCCN(C)c1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000624149666 349989560 /nfs/dbraw/zinc/98/95/60/349989560.db2.gz RWWNDWJRYATWEA-UHFFFAOYSA-N 1 1 280.375 3.009 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000612406566 348517260 /nfs/dbraw/zinc/51/72/60/348517260.db2.gz PVLSDZYBWXQWNP-YOEHRIQHSA-N 1 1 270.376 3.178 20 30 CGEDMO CC(C)COc1ccc(C[NH2+]CC(C)(C)C#N)cc1 ZINC000612588039 348531687 /nfs/dbraw/zinc/53/16/87/348531687.db2.gz NIKPSLAFAONXSP-UHFFFAOYSA-N 1 1 260.381 3.361 20 30 CGEDMO CC(C)(C)c1ccc(C#N)c(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)n1 ZINC000613412251 348598347 /nfs/dbraw/zinc/59/83/47/348598347.db2.gz RHWWJBIUFVGFQH-CABCVRRESA-N 1 1 298.434 3.289 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)CC(C)(C)O ZINC000614164638 348653368 /nfs/dbraw/zinc/65/33/68/348653368.db2.gz LAOXTPLZIILOEA-UHFFFAOYSA-N 1 1 288.435 3.471 20 30 CGEDMO CCO[C@@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614167956 348654193 /nfs/dbraw/zinc/65/41/93/348654193.db2.gz DIEXWCNCTIYDIY-QGZVFWFLSA-N 1 1 286.419 3.489 20 30 CGEDMO C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C[C@H]1CCCOC1 ZINC000614167289 348654348 /nfs/dbraw/zinc/65/43/48/348654348.db2.gz IJPITJHGENFQKH-MRXNPFEDSA-N 1 1 286.419 3.346 20 30 CGEDMO C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C[C@@H]1CCC[C@@H]1O ZINC000614177455 348654916 /nfs/dbraw/zinc/65/49/16/348654916.db2.gz NPTCMEJRUYQSMF-RDJZCZTQSA-N 1 1 286.419 3.081 20 30 CGEDMO C[C@@H]1CN(Cc2ccc(C(C)(C)C#N)cc2)[C@@H](C)C[N@H+]1C ZINC000614176749 348655488 /nfs/dbraw/zinc/65/54/88/348655488.db2.gz CBPAWUGCLRFQQO-CABCVRRESA-N 1 1 285.435 3.012 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)[C@@H](C)CN1C ZINC000614176749 348655490 /nfs/dbraw/zinc/65/54/90/348655490.db2.gz CBPAWUGCLRFQQO-CABCVRRESA-N 1 1 285.435 3.012 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)[C@@H](C)CN1C ZINC000614176749 348655492 /nfs/dbraw/zinc/65/54/92/348655492.db2.gz CBPAWUGCLRFQQO-CABCVRRESA-N 1 1 285.435 3.012 20 30 CGEDMO CCOc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C#N)cn1 ZINC000615093081 348713284 /nfs/dbraw/zinc/71/32/84/348713284.db2.gz ZPZUWTYAZBNPJL-CYBMUJFWSA-N 1 1 281.359 3.203 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000614407655 348674660 /nfs/dbraw/zinc/67/46/60/348674660.db2.gz VPDDSSCFFVMHQN-DLBZAZTESA-N 1 1 286.419 3.096 20 30 CGEDMO C[N@@H+](Cc1ccnc(C#N)c1)CC1(c2ccccc2)CC1 ZINC000614915431 348699348 /nfs/dbraw/zinc/69/93/48/348699348.db2.gz YDWAAPKTRGSSNZ-UHFFFAOYSA-N 1 1 277.371 3.117 20 30 CGEDMO CN(C)C1(C[N@H+](C)Cc2ccc(C(C)(C)C#N)cc2)CCC1 ZINC000615004210 348706460 /nfs/dbraw/zinc/70/64/60/348706460.db2.gz NHTLRKLNSMKKQT-UHFFFAOYSA-N 1 1 299.462 3.404 20 30 CGEDMO CN(C)C1(C[N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)CCC1 ZINC000615004210 348706464 /nfs/dbraw/zinc/70/64/64/348706464.db2.gz NHTLRKLNSMKKQT-UHFFFAOYSA-N 1 1 299.462 3.404 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](C(F)F)C1 ZINC000615444959 348740440 /nfs/dbraw/zinc/74/04/40/348740440.db2.gz RAIUEDILZFYPJA-GWCFXTLKSA-N 1 1 250.292 3.206 20 30 CGEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cc(C)ccn1 ZINC000616749727 348876598 /nfs/dbraw/zinc/87/65/98/348876598.db2.gz BPEPVGYSFXCJBG-UHFFFAOYSA-N 1 1 277.371 3.450 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cc(C)ccn1 ZINC000616749727 348876601 /nfs/dbraw/zinc/87/66/01/348876601.db2.gz BPEPVGYSFXCJBG-UHFFFAOYSA-N 1 1 277.371 3.450 20 30 CGEDMO Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000616773502 348877448 /nfs/dbraw/zinc/87/74/48/348877448.db2.gz XZLCCIKYRKPDDD-SFHVURJKSA-N 1 1 294.402 3.306 20 30 CGEDMO CCCN1CCC([NH2+][C@@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618805379 349157091 /nfs/dbraw/zinc/15/70/91/349157091.db2.gz NYYXGEXDFDCUCL-GOSISDBHSA-N 1 1 283.419 3.010 20 30 CGEDMO COc1ccccc1[C@H]1CC[N@@H+](C[C@@H](C)CCC#N)C1 ZINC000618888220 349176034 /nfs/dbraw/zinc/17/60/34/349176034.db2.gz OKFIPYQSNOKSIT-GJZGRUSLSA-N 1 1 272.392 3.424 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](CCCCC2CCOCC2)C1 ZINC000619621200 349263669 /nfs/dbraw/zinc/26/36/69/349263669.db2.gz JBVKCPRTRKDPPW-MRXNPFEDSA-N 1 1 264.413 3.209 20 30 CGEDMO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000619720804 349278646 /nfs/dbraw/zinc/27/86/46/349278646.db2.gz XWYKAIQWTPARKD-BBRMVZONSA-N 1 1 291.366 3.123 20 30 CGEDMO C=C[C@@H](C(=O)OC)[N@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000619720804 349278649 /nfs/dbraw/zinc/27/86/49/349278649.db2.gz XWYKAIQWTPARKD-BBRMVZONSA-N 1 1 291.366 3.123 20 30 CGEDMO CC[N@H+]1CC[C@@H](NCc2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000619755561 349282628 /nfs/dbraw/zinc/28/26/28/349282628.db2.gz ZRYAYFFEUVKADC-BLLLJJGKSA-N 1 1 291.826 3.032 20 30 CGEDMO CCN1CC[C@@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000619755561 349282635 /nfs/dbraw/zinc/28/26/35/349282635.db2.gz ZRYAYFFEUVKADC-BLLLJJGKSA-N 1 1 291.826 3.032 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000620301675 349352986 /nfs/dbraw/zinc/35/29/86/349352986.db2.gz IQNPMPMLIAPEMP-SOUVJXGZSA-N 1 1 287.407 3.106 20 30 CGEDMO C=CC[N@@H+](CCOC1CCOCC1)CC1CCCCC1 ZINC000625161151 350135637 /nfs/dbraw/zinc/13/56/37/350135637.db2.gz NSJAFFVDRHCOCU-UHFFFAOYSA-N 1 1 281.440 3.250 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)C[C@H](OCC)C1CC1 ZINC000625306058 350155878 /nfs/dbraw/zinc/15/58/78/350155878.db2.gz SQUCYIDZYIXLJR-INIZCTEOSA-N 1 1 263.381 3.125 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2nc3ccccc3nc2C)C1 ZINC000625699380 350197335 /nfs/dbraw/zinc/19/73/35/350197335.db2.gz DMERZOIQFKINOJ-CQSZACIVSA-N 1 1 267.376 3.336 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2nc(-c3ccsc3)no2)C1 ZINC000625701168 350198924 /nfs/dbraw/zinc/19/89/24/350198924.db2.gz NSHZFIWGHYIFBC-NSHDSACASA-N 1 1 275.377 3.196 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2ccn(C3CCCC3)n2)C1 ZINC000625701479 350198997 /nfs/dbraw/zinc/19/89/97/350198997.db2.gz RYSBVWFZOVVGFG-CQSZACIVSA-N 1 1 259.397 3.396 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CC/C=C\c2cncc(OC)c2)C1 ZINC000625702660 350199406 /nfs/dbraw/zinc/19/94/06/350199406.db2.gz OEQLHVCHEMQMEK-QZDDGCDVSA-N 1 1 272.392 3.392 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CCC(=O)Nc2cccc(F)c2C)C1 ZINC000625705288 350200870 /nfs/dbraw/zinc/20/08/70/350200870.db2.gz TYDINUOIZYUEOS-AWEZNQCLSA-N 1 1 290.382 3.361 20 30 CGEDMO C=CC[C@H]1CC[N@H+](C[C@@H](Cc2ccccc2)OC)C1 ZINC000625703868 350201143 /nfs/dbraw/zinc/20/11/43/350201143.db2.gz UUOWZHHJFKMDHA-DLBZAZTESA-N 1 1 259.393 3.142 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cnc3ccc(Cl)cn23)C1 ZINC000628405495 350528920 /nfs/dbraw/zinc/52/89/20/350528920.db2.gz NOIMCDNKGWKJAK-LBPRGKRZSA-N 1 1 275.783 3.386 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2nn(CC)c3ccccc23)C1 ZINC000628406535 350529900 /nfs/dbraw/zinc/52/99/00/350529900.db2.gz LLFMFYSHPNTJIX-CQSZACIVSA-N 1 1 269.392 3.454 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(OC)cc2OC)C1 ZINC000628405958 350529911 /nfs/dbraw/zinc/52/99/11/350529911.db2.gz YOABUIZKTJMCTO-CYBMUJFWSA-N 1 1 261.365 3.102 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000628407121 350530858 /nfs/dbraw/zinc/53/08/58/350530858.db2.gz ZDXYGOSOKUGDMG-YJBOKZPZSA-N 1 1 287.403 3.252 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000630806962 350890838 /nfs/dbraw/zinc/89/08/38/350890838.db2.gz CKFPJWHOYPHCKO-NVXWUHKLSA-N 1 1 298.430 3.294 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000632368400 351195322 /nfs/dbraw/zinc/19/53/22/351195322.db2.gz HCECRTHWUNPSQL-CABCVRRESA-N 1 1 290.451 3.112 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000633425832 351302743 /nfs/dbraw/zinc/30/27/43/351302743.db2.gz GAGYMOIVHQCUTD-INIZCTEOSA-N 1 1 298.430 3.076 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000633425832 351302747 /nfs/dbraw/zinc/30/27/47/351302747.db2.gz GAGYMOIVHQCUTD-INIZCTEOSA-N 1 1 298.430 3.076 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3cccc(C)c3)C2)C1 ZINC000634276894 351461351 /nfs/dbraw/zinc/46/13/51/351461351.db2.gz XMSMUDLWLDGKAM-QGZVFWFLSA-N 1 1 298.430 3.042 20 30 CGEDMO C=CCC[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000635717693 351685380 /nfs/dbraw/zinc/68/53/80/351685380.db2.gz TYPVKRGHQUKXIG-RDJZCZTQSA-N 1 1 286.419 3.152 20 30 CGEDMO Cn1cc(Cl)cc1C[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000122212965 187021236 /nfs/dbraw/zinc/02/12/36/187021236.db2.gz FYDDCCFBBQLZGP-UHFFFAOYSA-N 1 1 291.757 3.321 20 30 CGEDMO Cn1cc(Cl)cc1C[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000122212965 187021237 /nfs/dbraw/zinc/02/12/37/187021237.db2.gz FYDDCCFBBQLZGP-UHFFFAOYSA-N 1 1 291.757 3.321 20 30 CGEDMO C=CC[N@H+](CCC(=O)Nc1ccccc1SC)C1CC1 ZINC000271494927 191172388 /nfs/dbraw/zinc/17/23/88/191172388.db2.gz VACMCFBAHCHOHX-UHFFFAOYSA-N 1 1 290.432 3.388 20 30 CGEDMO Cc1cc(C2CC[NH+](Cc3ccc(C#N)cc3F)CC2)n[nH]1 ZINC000271588394 191228840 /nfs/dbraw/zinc/22/88/40/191228840.db2.gz FAVVXLHLSHRTJW-UHFFFAOYSA-N 1 1 298.365 3.109 20 30 CGEDMO CSC[C@H]1CCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000292543390 198326597 /nfs/dbraw/zinc/32/65/97/198326597.db2.gz XYDOWDZYQQNBSB-LBPRGKRZSA-N 1 1 278.396 3.272 20 30 CGEDMO CSC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000292543390 198326598 /nfs/dbraw/zinc/32/65/98/198326598.db2.gz XYDOWDZYQQNBSB-LBPRGKRZSA-N 1 1 278.396 3.272 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCSC[C@H]2C2CCC2)cc1 ZINC000418122785 283141500 /nfs/dbraw/zinc/14/15/00/283141500.db2.gz FPKDKBPWINDCSI-INIZCTEOSA-N 1 1 272.417 3.276 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)s1 ZINC000186432009 283142205 /nfs/dbraw/zinc/14/22/05/283142205.db2.gz GLDSBCHKQAIVLC-QGZVFWFLSA-N 1 1 296.395 3.251 20 30 CGEDMO C[C@H]1CC[C@H](C)[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000088704466 138342582 /nfs/dbraw/zinc/34/25/82/138342582.db2.gz MOYJRLCBTCUBLF-KBPBESRZSA-N 1 1 285.391 3.007 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@]3(CCCOC3)C2)c(F)c1 ZINC000336317430 213160268 /nfs/dbraw/zinc/16/02/68/213160268.db2.gz SDOWLSUXPQIPCI-QGZVFWFLSA-N 1 1 288.366 3.090 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1CC[C@@H](C)O1 ZINC000425530636 236257758 /nfs/dbraw/zinc/25/77/58/236257758.db2.gz FRYABANZLPQYTF-XJKCOSOUSA-N 1 1 258.365 3.119 20 30 CGEDMO COc1ccnc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425530928 236258286 /nfs/dbraw/zinc/25/82/86/236258286.db2.gz GHHINXHVGJIABK-ZDUSSCGKSA-N 1 1 281.359 3.155 20 30 CGEDMO COc1ccnc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425530928 236258287 /nfs/dbraw/zinc/25/82/87/236258287.db2.gz GHHINXHVGJIABK-ZDUSSCGKSA-N 1 1 281.359 3.155 20 30 CGEDMO CCC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000341600400 216028265 /nfs/dbraw/zinc/02/82/65/216028265.db2.gz BPJDHSLJYIIZOL-HUUCEWRRSA-N 1 1 299.418 3.397 20 30 CGEDMO CN(C)[C@H](C[NH2+]Cc1ccc(C#N)s1)C1CCCCC1 ZINC000176949060 189016177 /nfs/dbraw/zinc/01/61/77/189016177.db2.gz NOSYONQAFJEJMJ-MRXNPFEDSA-N 1 1 291.464 3.220 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000178035775 189086987 /nfs/dbraw/zinc/08/69/87/189086987.db2.gz FJJIBOUQCUEVHL-ZDUSSCGKSA-N 1 1 298.770 3.007 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000178035775 189086988 /nfs/dbraw/zinc/08/69/88/189086988.db2.gz FJJIBOUQCUEVHL-ZDUSSCGKSA-N 1 1 298.770 3.007 20 30 CGEDMO N#CCCCC[N@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[n-]1 ZINC000120254946 370753644 /nfs/dbraw/zinc/75/36/44/370753644.db2.gz QCMKATMBIPYFQL-HNNXBMFYSA-N 1 1 295.390 3.302 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000121377931 370856068 /nfs/dbraw/zinc/85/60/68/370856068.db2.gz FQNSWVHDUFXHEM-QGZVFWFLSA-N 1 1 288.435 3.046 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(OCc2ccncc2)cc1 ZINC000121493222 370865734 /nfs/dbraw/zinc/86/57/34/370865734.db2.gz QHPFSHQJXQGODL-UHFFFAOYSA-N 1 1 268.360 3.278 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+]1CCc2ccsc2C1 ZINC000121616596 370878531 /nfs/dbraw/zinc/87/85/31/370878531.db2.gz PPOILBRJOIVEQD-UHFFFAOYSA-N 1 1 284.384 3.187 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCc2ccsc2C1 ZINC000121616596 370878534 /nfs/dbraw/zinc/87/85/34/370878534.db2.gz PPOILBRJOIVEQD-UHFFFAOYSA-N 1 1 284.384 3.187 20 30 CGEDMO Cc1ccccc1OCC[N@H+](C)Cc1cc(C#N)cs1 ZINC000121541877 370871394 /nfs/dbraw/zinc/87/13/94/370871394.db2.gz KCACBWBVMOYMDN-UHFFFAOYSA-N 1 1 286.400 3.439 20 30 CGEDMO C=CC[N@H+](C)Cc1ccccc1OCC(F)(F)F ZINC000121551985 370873249 /nfs/dbraw/zinc/87/32/49/370873249.db2.gz HXXZGHHWAZPBRN-UHFFFAOYSA-N 1 1 259.271 3.246 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000574247974 335003753 /nfs/dbraw/zinc/00/37/53/335003753.db2.gz YBJVYCYULBOVDB-WBVHZDCISA-N 1 1 262.441 3.291 20 30 CGEDMO C=CCCCC[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000574247974 335003754 /nfs/dbraw/zinc/00/37/54/335003754.db2.gz YBJVYCYULBOVDB-WBVHZDCISA-N 1 1 262.441 3.291 20 30 CGEDMO CCC[C@@H](C)[C@H]1CCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000486767521 243370530 /nfs/dbraw/zinc/37/05/30/243370530.db2.gz AMXSKYQGJPDUHO-RHSMWYFYSA-N 1 1 299.418 3.397 20 30 CGEDMO CCC[C@]1(COC)CCC[N@H+]1CCC(C)(C)C#N ZINC000347114851 284083561 /nfs/dbraw/zinc/08/35/61/284083561.db2.gz AXBRVEVAKSCDCO-OAHLLOKOSA-N 1 1 252.402 3.207 20 30 CGEDMO N#CCCCC[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000126609171 370946609 /nfs/dbraw/zinc/94/66/09/370946609.db2.gz WHEPSFLPDHGAAL-UHFFFAOYSA-N 1 1 253.349 3.220 20 30 CGEDMO N#CCCCC[N@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000126609171 370946617 /nfs/dbraw/zinc/94/66/17/370946617.db2.gz WHEPSFLPDHGAAL-UHFFFAOYSA-N 1 1 253.349 3.220 20 30 CGEDMO C[N@H+]1CCN(Cc2ccccc2C#N)[C@@H](c2ccccc2)C1 ZINC000020027658 368793533 /nfs/dbraw/zinc/79/35/33/368793533.db2.gz XRCVVTHRUGBAFN-LJQANCHMSA-N 1 1 291.398 3.047 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1ccccc1[N+](=O)[O-] ZINC000026326090 368857113 /nfs/dbraw/zinc/85/71/13/368857113.db2.gz SMVSQGOAMPWXLO-UHFFFAOYSA-N 1 1 281.315 3.098 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccccc1[N+](=O)[O-] ZINC000026326090 368857114 /nfs/dbraw/zinc/85/71/14/368857114.db2.gz SMVSQGOAMPWXLO-UHFFFAOYSA-N 1 1 281.315 3.098 20 30 CGEDMO CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000030143043 368900980 /nfs/dbraw/zinc/90/09/80/368900980.db2.gz SYLLXWNHWZSXAC-GFCCVEGCSA-N 1 1 291.420 3.070 20 30 CGEDMO CC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000030144519 368901117 /nfs/dbraw/zinc/90/11/17/368901117.db2.gz SKKCOXRKCSPWMT-AWEZNQCLSA-N 1 1 285.391 3.009 20 30 CGEDMO COc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2F)cc1 ZINC000025380440 368846235 /nfs/dbraw/zinc/84/62/35/368846235.db2.gz UIRYNTJKKNZASR-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2F)cc1 ZINC000025380440 368846243 /nfs/dbraw/zinc/84/62/43/368846243.db2.gz UIRYNTJKKNZASR-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO Cc1ccc([C@@H](C)[NH2+]Cc2cc(C#N)ccc2F)o1 ZINC000037980185 369130881 /nfs/dbraw/zinc/13/08/81/369130881.db2.gz QNSFZUKOUYVJPF-LLVKDONJSA-N 1 1 258.296 3.450 20 30 CGEDMO C[C@H](CC#N)[NH2+][C@H](C)c1cccc(Br)c1 ZINC000038012478 369141263 /nfs/dbraw/zinc/14/12/63/369141263.db2.gz LQMMYQATXBGYOV-NXEZZACHSA-N 1 1 267.170 3.402 20 30 CGEDMO CC[N@@H+](Cc1ccc2ncccc2c1)C[C@@H](C)C#N ZINC000042449665 369220479 /nfs/dbraw/zinc/22/04/79/369220479.db2.gz DDWPJEQFYVILAK-ZDUSSCGKSA-N 1 1 253.349 3.216 20 30 CGEDMO CC[N@H+](Cc1ccc2ncccc2c1)C[C@@H](C)C#N ZINC000042449665 369220485 /nfs/dbraw/zinc/22/04/85/369220485.db2.gz DDWPJEQFYVILAK-ZDUSSCGKSA-N 1 1 253.349 3.216 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](OCC3CC3)C2)c1F ZINC000494705550 244313922 /nfs/dbraw/zinc/31/39/22/244313922.db2.gz XAZGYVWACMRIAO-INIZCTEOSA-N 1 1 288.366 3.088 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](OCC3CC3)C2)c1F ZINC000494705550 244313928 /nfs/dbraw/zinc/31/39/28/244313928.db2.gz XAZGYVWACMRIAO-INIZCTEOSA-N 1 1 288.366 3.088 20 30 CGEDMO C=CCOc1ccc(CNC[C@@H](C)[NH+](CC)CC)cc1 ZINC000128215021 370960231 /nfs/dbraw/zinc/96/02/31/370960231.db2.gz MENZRJNJRVUQHQ-OAHLLOKOSA-N 1 1 276.424 3.071 20 30 CGEDMO C=C(C)COc1cc(C[N@H+](C)CCC)ccc1OC ZINC000127577725 370954670 /nfs/dbraw/zinc/95/46/70/370954670.db2.gz GXFPUEZLBZYVPL-UHFFFAOYSA-N 1 1 263.381 3.492 20 30 CGEDMO C=CC[N@H+](CCOC(C)C)Cc1ccc(OC)cc1 ZINC000054272323 369500677 /nfs/dbraw/zinc/50/06/77/369500677.db2.gz ZELCMUPIOYOBAX-UHFFFAOYSA-N 1 1 263.381 3.108 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000054339175 369502047 /nfs/dbraw/zinc/50/20/47/369502047.db2.gz DNRJQCUTOGSFLA-UONOGXRCSA-N 1 1 286.202 3.459 20 30 CGEDMO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)o1 ZINC000276232829 193251628 /nfs/dbraw/zinc/25/16/28/193251628.db2.gz SCYBMKNTUSTDPX-LLVKDONJSA-N 1 1 272.270 3.314 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CCc2ccsc2C1 ZINC000060193947 369584658 /nfs/dbraw/zinc/58/46/58/369584658.db2.gz TVJOBTXSZHXLNZ-UHFFFAOYSA-N 1 1 254.358 3.178 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCc2ccsc2C1 ZINC000060193947 369584663 /nfs/dbraw/zinc/58/46/63/369584663.db2.gz TVJOBTXSZHXLNZ-UHFFFAOYSA-N 1 1 254.358 3.178 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCCNc1cccc(F)c1C#N ZINC000060991765 369594065 /nfs/dbraw/zinc/59/40/65/369594065.db2.gz DVRXFWVCKBNOCO-ZDUSSCGKSA-N 1 1 275.371 3.374 20 30 CGEDMO C=CCC[N@@H+](C)Cc1nnc(-c2ccccc2)s1 ZINC000276381462 193308872 /nfs/dbraw/zinc/30/88/72/193308872.db2.gz IGKBYJORHKHERZ-UHFFFAOYSA-N 1 1 259.378 3.213 20 30 CGEDMO C=CCC[N@H+](C)Cc1nnc(-c2ccccc2)s1 ZINC000276381462 193308873 /nfs/dbraw/zinc/30/88/73/193308873.db2.gz IGKBYJORHKHERZ-UHFFFAOYSA-N 1 1 259.378 3.213 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(C#N)cc1Br ZINC000276445607 193334056 /nfs/dbraw/zinc/33/40/56/193334056.db2.gz OYRQDKALTFJDBA-UHFFFAOYSA-N 1 1 279.181 3.329 20 30 CGEDMO C=CCNC(=O)C[N@@H+]([C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000066423097 369694185 /nfs/dbraw/zinc/69/41/85/369694185.db2.gz PBRZZPYODVXSFF-GFCCVEGCSA-N 1 1 292.810 3.168 20 30 CGEDMO C=CCNC(=O)C[N@H+]([C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000066423097 369694189 /nfs/dbraw/zinc/69/41/89/369694189.db2.gz PBRZZPYODVXSFF-GFCCVEGCSA-N 1 1 292.810 3.168 20 30 CGEDMO Cc1ccc(CC[N@@H+](CCCC#N)C[C@@H]2CCCO2)cc1 ZINC000075999951 369925269 /nfs/dbraw/zinc/92/52/69/369925269.db2.gz MFUFIPNYFVBEKF-SFHVURJKSA-N 1 1 286.419 3.322 20 30 CGEDMO CC(C)CCC(N)=[NH+]OCc1cnc(Cl)s1 ZINC000089737020 370046072 /nfs/dbraw/zinc/04/60/72/370046072.db2.gz OHVSGHCNNYXQMJ-UHFFFAOYSA-N 1 1 261.778 3.022 20 30 CGEDMO CC[C@@H](C)C[N@@H+](CC)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000093250932 370113749 /nfs/dbraw/zinc/11/37/49/370113749.db2.gz BORTWEBTDIHPII-KGLIPLIRSA-N 1 1 287.407 3.253 20 30 CGEDMO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cnccn1 ZINC000090665528 370063208 /nfs/dbraw/zinc/06/32/08/370063208.db2.gz CEMOPLNTOSOIBE-HIFRSBDPSA-N 1 1 266.348 3.172 20 30 CGEDMO CC[N@@H+](Cc1c[nH]nc1-c1cccs1)C[C@@H](C)C#N ZINC000091982921 370083547 /nfs/dbraw/zinc/08/35/47/370083547.db2.gz GQGBHYQYRTXYGV-NSHDSACASA-N 1 1 274.393 3.120 20 30 CGEDMO CC[N@H+](Cc1c[nH]nc1-c1cccs1)C[C@@H](C)C#N ZINC000091982921 370083553 /nfs/dbraw/zinc/08/35/53/370083553.db2.gz GQGBHYQYRTXYGV-NSHDSACASA-N 1 1 274.393 3.120 20 30 CGEDMO CC[N@@H+](Cc1ccc2c(c1)CC(C)(C)O2)C[C@@H](C)C#N ZINC000091983034 370085760 /nfs/dbraw/zinc/08/57/60/370085760.db2.gz OWCQLSBGZFJFKL-ZDUSSCGKSA-N 1 1 272.392 3.382 20 30 CGEDMO CC[N@H+](Cc1ccc2c(c1)CC(C)(C)O2)C[C@@H](C)C#N ZINC000091983034 370085763 /nfs/dbraw/zinc/08/57/63/370085763.db2.gz OWCQLSBGZFJFKL-ZDUSSCGKSA-N 1 1 272.392 3.382 20 30 CGEDMO CC[N@@H+](Cc1ccc(Oc2cnccn2)cc1)C[C@@H](C)C#N ZINC000091984011 370085794 /nfs/dbraw/zinc/08/57/94/370085794.db2.gz AHWTYFBVLSELDC-AWEZNQCLSA-N 1 1 296.374 3.250 20 30 CGEDMO CC[N@H+](Cc1ccc(Oc2cnccn2)cc1)C[C@@H](C)C#N ZINC000091984011 370085798 /nfs/dbraw/zinc/08/57/98/370085798.db2.gz AHWTYFBVLSELDC-AWEZNQCLSA-N 1 1 296.374 3.250 20 30 CGEDMO C=CCc1cc(C[N@@H+](C)CCC2CC2)cc(OC)c1O ZINC000092067110 370093324 /nfs/dbraw/zinc/09/33/24/370093324.db2.gz YEVLRBBTTKEQCQ-UHFFFAOYSA-N 1 1 275.392 3.361 20 30 CGEDMO CCOc1cc(C[N@H+](CCC#N)CC2CC2)ccc1OC ZINC000093091382 370108374 /nfs/dbraw/zinc/10/83/74/370108374.db2.gz FUUVJVMDYNKJAV-UHFFFAOYSA-N 1 1 288.391 3.220 20 30 CGEDMO CCOc1cc(C[N@@H+](CCC#N)CC2CC2)ccc1OC ZINC000093091382 370108379 /nfs/dbraw/zinc/10/83/79/370108379.db2.gz FUUVJVMDYNKJAV-UHFFFAOYSA-N 1 1 288.391 3.220 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cccc2c1OCCCO2 ZINC000093533532 370139033 /nfs/dbraw/zinc/13/90/33/370139033.db2.gz CQPIVHQYNCMPMI-UHFFFAOYSA-N 1 1 261.365 3.246 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000103143394 370319724 /nfs/dbraw/zinc/31/97/24/370319724.db2.gz XKZJFNXDIDQGMF-MRXNPFEDSA-N 1 1 258.340 3.462 20 30 CGEDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000109780821 370364634 /nfs/dbraw/zinc/36/46/34/370364634.db2.gz NXYWIWNSSIQCQR-AWEZNQCLSA-N 1 1 296.370 3.336 20 30 CGEDMO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000109785129 370366590 /nfs/dbraw/zinc/36/65/90/370366590.db2.gz ZBQNFERMWGIIEF-CYBMUJFWSA-N 1 1 266.344 3.457 20 30 CGEDMO C[N@@H+](Cc1cccc(OCCCC#N)c1)[C@H]1CCSC1 ZINC000130533837 371041394 /nfs/dbraw/zinc/04/13/94/371041394.db2.gz YWZKMMDEQLQVAH-HNNXBMFYSA-N 1 1 290.432 3.306 20 30 CGEDMO CS[C@H]1CCCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000134600909 371353394 /nfs/dbraw/zinc/35/33/94/371353394.db2.gz HRISGKGNPKOBMI-AWEZNQCLSA-N 1 1 278.396 3.415 20 30 CGEDMO CC(C)[C@@H]1CC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000135057180 371387254 /nfs/dbraw/zinc/38/72/54/371387254.db2.gz LFKNJUONPKMRDT-MRXNPFEDSA-N 1 1 272.392 3.305 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@H]2CCSc3ccccc32)o1 ZINC000135131025 371392936 /nfs/dbraw/zinc/39/29/36/371392936.db2.gz WTXOAZADLSIRSY-AWEZNQCLSA-N 1 1 270.357 3.478 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000135137050 371394185 /nfs/dbraw/zinc/39/41/85/371394185.db2.gz SQIVMEXVXBVHTA-UWWQBHOKSA-N 1 1 290.451 3.064 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCOCC12CCC2 ZINC000135525366 371433609 /nfs/dbraw/zinc/43/36/09/371433609.db2.gz FIRJPSJKJBUZIN-UHFFFAOYSA-N 1 1 284.403 3.243 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCOCC12CCC2 ZINC000135525366 371433612 /nfs/dbraw/zinc/43/36/12/371433612.db2.gz FIRJPSJKJBUZIN-UHFFFAOYSA-N 1 1 284.403 3.243 20 30 CGEDMO Cn1ncc2c1CCC[C@H]2[N@@H+](C)CCCC(C)(C)C#N ZINC000135560933 371435379 /nfs/dbraw/zinc/43/53/79/371435379.db2.gz ZSCFTNRRSQONIJ-CQSZACIVSA-N 1 1 274.412 3.059 20 30 CGEDMO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)CCCCC#N ZINC000140772055 371512738 /nfs/dbraw/zinc/51/27/38/371512738.db2.gz MVCYYKTWKQRMDH-ZIAGYGMSSA-N 1 1 252.402 3.206 20 30 CGEDMO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)CCCSCC#N ZINC000140657121 371512880 /nfs/dbraw/zinc/51/28/80/371512880.db2.gz HTJIEULPGAEBJE-UONOGXRCSA-N 1 1 284.469 3.159 20 30 CGEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCOC1 ZINC000336822961 213710875 /nfs/dbraw/zinc/71/08/75/213710875.db2.gz NPFHUEUIHBBPBX-KRWDZBQOSA-N 1 1 272.392 3.195 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[C@@H]2CC[C@H](C1)[N@H+]2C(C)C ZINC000151103544 371568563 /nfs/dbraw/zinc/56/85/63/371568563.db2.gz GPXHPRKPQDGKSY-DLBZAZTESA-N 1 1 290.451 3.229 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000289021622 371749036 /nfs/dbraw/zinc/74/90/36/371749036.db2.gz AJZOFLHNDPGKPU-LJQANCHMSA-N 1 1 276.383 3.313 20 30 CGEDMO CCCC[C@H](C)[N@@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000289746961 371809217 /nfs/dbraw/zinc/80/92/17/371809217.db2.gz FFCAFPMCTASITB-NSHDSACASA-N 1 1 291.395 3.217 20 30 CGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000344043322 217025710 /nfs/dbraw/zinc/02/57/10/217025710.db2.gz XGGKJKFNJZLTDB-KBPBESRZSA-N 1 1 299.418 3.253 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000155135497 371906999 /nfs/dbraw/zinc/90/69/99/371906999.db2.gz WRKMEEVNZGTZEQ-AWEZNQCLSA-N 1 1 290.407 3.229 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](C)CCc1ccc(F)cc1 ZINC000156317224 371974783 /nfs/dbraw/zinc/97/47/83/371974783.db2.gz DFEXNWOPCIXQAN-UHFFFAOYSA-N 1 1 298.361 3.380 20 30 CGEDMO CC#CCC[N@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000156529486 371983113 /nfs/dbraw/zinc/98/31/13/371983113.db2.gz LALJEOHDZYMMNZ-GOSISDBHSA-N 1 1 264.372 3.307 20 30 CGEDMO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1noc(COC(C)C)n1 ZINC000290827034 372060185 /nfs/dbraw/zinc/06/01/85/372060185.db2.gz HFVOALSENUOXOE-AVGNSLFASA-N 1 1 281.400 3.246 20 30 CGEDMO CC#CCC[N@H+](C)C[C@H](C)Cc1ccc(OC)cc1 ZINC000157572474 372027552 /nfs/dbraw/zinc/02/75/52/372027552.db2.gz SQZSQMSYWACRCG-OAHLLOKOSA-N 1 1 259.393 3.219 20 30 CGEDMO CC[N@@H+](CCC(=O)Nc1ccccc1Cl)C[C@@H](C)C#N ZINC000157653522 372031300 /nfs/dbraw/zinc/03/13/00/372031300.db2.gz OFMDXQFNEVCIMM-LBPRGKRZSA-N 1 1 293.798 3.150 20 30 CGEDMO C[C@H]1C[C@@H](Nc2c(C#N)cnc3ccccc32)C[N@H+]1C1CC1 ZINC000290529765 372010710 /nfs/dbraw/zinc/01/07/10/372010710.db2.gz DBSHZMABSFRPRV-GXTWGEPZSA-N 1 1 292.386 3.144 20 30 CGEDMO CC[C@]1(C)CC[N@@H+](CCOc2ccc(C#N)cc2OC)C1 ZINC000344218252 217103504 /nfs/dbraw/zinc/10/35/04/217103504.db2.gz LPCIJYQGUDMXKQ-QGZVFWFLSA-N 1 1 288.391 3.068 20 30 CGEDMO CC[C@@]1(C)CC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000344211589 217100262 /nfs/dbraw/zinc/10/02/62/217100262.db2.gz CHFSPWWZIPHATC-INIZCTEOSA-N 1 1 258.365 3.059 20 30 CGEDMO CC[C@@]1(C)CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000344241809 217116266 /nfs/dbraw/zinc/11/62/66/217116266.db2.gz DOCOCGGHGPEDTG-KRWDZBQOSA-N 1 1 285.391 3.009 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1cn(-c2ccncc2)nc1C ZINC000426565596 372165219 /nfs/dbraw/zinc/16/52/19/372165219.db2.gz BQTXTAPDSZXVOQ-INIZCTEOSA-N 1 1 282.391 3.116 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cn(-c2ccncc2)nc1C ZINC000426565596 372165223 /nfs/dbraw/zinc/16/52/23/372165223.db2.gz BQTXTAPDSZXVOQ-INIZCTEOSA-N 1 1 282.391 3.116 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(OC)c(OC)cc1OC ZINC000426565335 372165379 /nfs/dbraw/zinc/16/53/79/372165379.db2.gz AKFHTIPOORPXNX-AWEZNQCLSA-N 1 1 291.391 3.253 20 30 CGEDMO C=CCc1cc(C[N@@H+]2CC[C@@H]2CC)cc(OC)c1O ZINC000292820528 372218429 /nfs/dbraw/zinc/21/84/29/372218429.db2.gz PWBRJKKDVHJUNC-AWEZNQCLSA-N 1 1 261.365 3.114 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1cc(C)ncn1 ZINC000292259012 372185450 /nfs/dbraw/zinc/18/54/50/372185450.db2.gz VKQLMWDLVSZCPY-UHFFFAOYSA-N 1 1 267.376 3.016 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)s1)Cc1cccc(F)c1 ZINC000160467659 372250533 /nfs/dbraw/zinc/25/05/33/372250533.db2.gz RYZOZBDGTPJGDJ-UHFFFAOYSA-N 1 1 260.337 3.391 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)s1)Cc1cccc(F)c1 ZINC000160467659 372250539 /nfs/dbraw/zinc/25/05/39/372250539.db2.gz RYZOZBDGTPJGDJ-UHFFFAOYSA-N 1 1 260.337 3.391 20 30 CGEDMO CC(C)C[C@@H](C)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428773643 372264087 /nfs/dbraw/zinc/26/40/87/372264087.db2.gz SAJOERGYFVWUSN-GDBMZVCRSA-N 1 1 287.407 3.089 20 30 CGEDMO C[C@@H]1CCC[C@@H](C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000428785656 372264275 /nfs/dbraw/zinc/26/42/75/372264275.db2.gz VEHLWIYDEWUHOR-INMHGKMJSA-N 1 1 299.418 3.233 20 30 CGEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC3CCCCCC3)C2)nc1 ZINC000428811566 372265738 /nfs/dbraw/zinc/26/57/38/372265738.db2.gz JMHONXMBZSTSNG-QGZVFWFLSA-N 1 1 299.418 3.377 20 30 CGEDMO C=CCC[N@H+](C)Cc1cnc(-c2ccccc2OC)nc1 ZINC000430067793 372383205 /nfs/dbraw/zinc/38/32/05/372383205.db2.gz QCWOBWKZRNLCAH-UHFFFAOYSA-N 1 1 283.375 3.160 20 30 CGEDMO C=C(CC)C[N@@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430298910 372388912 /nfs/dbraw/zinc/38/89/12/372388912.db2.gz AWOYJGDPAAYWAJ-UHFFFAOYSA-N 1 1 281.403 3.488 20 30 CGEDMO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cscn1 ZINC000162382818 372391032 /nfs/dbraw/zinc/39/10/32/372391032.db2.gz IYFRPUDDHQPLJL-QWRGUYRKSA-N 1 1 257.362 3.427 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1Cl)CC1CCOCC1 ZINC000162909318 372432945 /nfs/dbraw/zinc/43/29/45/372432945.db2.gz YRGRGBJPNGHHOZ-UHFFFAOYSA-N 1 1 278.783 3.070 20 30 CGEDMO C=CCC(C)(C)CNC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000432106007 372537209 /nfs/dbraw/zinc/53/72/09/372537209.db2.gz GWXGWPGONPJUMO-GJZGRUSLSA-N 1 1 295.471 3.008 20 30 CGEDMO C=CCC(C)(C)CNC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000432072492 372533474 /nfs/dbraw/zinc/53/34/74/372533474.db2.gz SLTJIKNSCVVFRJ-HUUCEWRRSA-N 1 1 295.471 3.151 20 30 CGEDMO C#C[C@H]([NH2+]Cc1ncc(CSC)s1)C(C)(C)C ZINC000294021203 372556321 /nfs/dbraw/zinc/55/63/21/372556321.db2.gz UVRBYFBDVFIBFY-NSHDSACASA-N 1 1 268.451 3.144 20 30 CGEDMO CCc1ccc([C@H]2CC[N@@H+](CC3(C#N)CC3)C2)cc1 ZINC000433078671 372579353 /nfs/dbraw/zinc/57/93/53/372579353.db2.gz SYSKPZUYYBSLOA-INIZCTEOSA-N 1 1 254.377 3.342 20 30 CGEDMO N#Cc1ccc(NC[C@@H]2CCCC[N@H+]2C2CC2)c(F)c1 ZINC000433808504 372635700 /nfs/dbraw/zinc/63/57/00/372635700.db2.gz CWOWTHDHFICBTG-AWEZNQCLSA-N 1 1 273.355 3.126 20 30 CGEDMO CC(C)[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000436481595 372835304 /nfs/dbraw/zinc/83/53/04/372835304.db2.gz CTCBFSKUNFDDEF-SFHVURJKSA-N 1 1 299.462 3.260 20 30 CGEDMO CC(C)[C@@H]1C[N@H+](C)CCN1Cc1ccccc1C(C)(C)C#N ZINC000436481595 372835313 /nfs/dbraw/zinc/83/53/13/372835313.db2.gz CTCBFSKUNFDDEF-SFHVURJKSA-N 1 1 299.462 3.260 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1C(C)(C)C#N ZINC000436481595 372835320 /nfs/dbraw/zinc/83/53/20/372835320.db2.gz CTCBFSKUNFDDEF-SFHVURJKSA-N 1 1 299.462 3.260 20 30 CGEDMO C=CCOCC[N@H+]1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 ZINC000295671788 372870811 /nfs/dbraw/zinc/87/08/11/372870811.db2.gz BIGJIIJJAJVNDG-MRXNPFEDSA-N 1 1 285.391 3.211 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 ZINC000295671788 372870818 /nfs/dbraw/zinc/87/08/18/372870818.db2.gz BIGJIIJJAJVNDG-MRXNPFEDSA-N 1 1 285.391 3.211 20 30 CGEDMO C=CCOCC[N@H+]1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000295671788 372870825 /nfs/dbraw/zinc/87/08/25/372870825.db2.gz BIGJIIJJAJVNDG-MRXNPFEDSA-N 1 1 285.391 3.211 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000295671788 372870833 /nfs/dbraw/zinc/87/08/33/372870833.db2.gz BIGJIIJJAJVNDG-MRXNPFEDSA-N 1 1 285.391 3.211 20 30 CGEDMO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000438003623 372861867 /nfs/dbraw/zinc/86/18/67/372861867.db2.gz XEDDMWXKLXWKOT-YGRLFVJLSA-N 1 1 257.312 3.089 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)c1 ZINC000438367877 372944015 /nfs/dbraw/zinc/94/40/15/372944015.db2.gz YCWDRNSTGNFZOX-ZNMIVQPWSA-N 1 1 275.392 3.249 20 30 CGEDMO C[C@H]1CC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000438468776 372959569 /nfs/dbraw/zinc/95/95/69/372959569.db2.gz KZOUTSRQYUHZSK-LBPRGKRZSA-N 1 1 283.293 3.279 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1F)CC1(CC(=O)OC)CC1 ZINC000440703217 372989880 /nfs/dbraw/zinc/98/98/80/372989880.db2.gz QLUSWSRXMZKVRX-UHFFFAOYSA-N 1 1 291.366 3.157 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1F)CC1(CC(=O)OC)CC1 ZINC000440703217 372989893 /nfs/dbraw/zinc/98/98/93/372989893.db2.gz QLUSWSRXMZKVRX-UHFFFAOYSA-N 1 1 291.366 3.157 20 30 CGEDMO CO[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)CC1(C)C ZINC000296127449 373030381 /nfs/dbraw/zinc/03/03/81/373030381.db2.gz SDDGQEBODPZNGU-OAHLLOKOSA-N 1 1 292.810 3.459 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)CC1(C)C ZINC000296127449 373030383 /nfs/dbraw/zinc/03/03/83/373030383.db2.gz SDDGQEBODPZNGU-OAHLLOKOSA-N 1 1 292.810 3.459 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000442690089 373065542 /nfs/dbraw/zinc/06/55/42/373065542.db2.gz VKAQRYUFQZZWEY-CRAIPNDOSA-N 1 1 297.446 3.283 20 30 CGEDMO COc1cc(C[N@H+]2CC[C@H](C)C[C@@H](C)C2)ccc1C#N ZINC000442882582 373117187 /nfs/dbraw/zinc/11/71/87/373117187.db2.gz DXIDJFCUPXMBJL-UONOGXRCSA-N 1 1 272.392 3.435 20 30 CGEDMO N#C[C@@H]1CC[C@H](NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000442854663 373105228 /nfs/dbraw/zinc/10/52/28/373105228.db2.gz LDVRLYQQBJMNNO-HLLBOEOZSA-N 1 1 275.440 3.065 20 30 CGEDMO N#C[C@@H]1CC[C@H](NC[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000442854663 373105236 /nfs/dbraw/zinc/10/52/36/373105236.db2.gz LDVRLYQQBJMNNO-HLLBOEOZSA-N 1 1 275.440 3.065 20 30 CGEDMO N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCN2C2CCCCC2)C1 ZINC000442854663 373105243 /nfs/dbraw/zinc/10/52/43/373105243.db2.gz LDVRLYQQBJMNNO-HLLBOEOZSA-N 1 1 275.440 3.065 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCC1 ZINC000173613195 373166561 /nfs/dbraw/zinc/16/65/61/373166561.db2.gz OPOLLNKYSQDEGH-UHFFFAOYSA-N 1 1 291.782 3.025 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000442903202 373125734 /nfs/dbraw/zinc/12/57/34/373125734.db2.gz XXTRCWZWGMTORW-XYPHTWIQSA-N 1 1 286.419 3.348 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCOCC1CCC1 ZINC000442896753 373126036 /nfs/dbraw/zinc/12/60/36/373126036.db2.gz IEHBJPFOZJSREH-CQSZACIVSA-N 1 1 272.392 3.368 20 30 CGEDMO C[C@H]1CCC[C@H](C)[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000444220202 373176017 /nfs/dbraw/zinc/17/60/17/373176017.db2.gz BHTFXIMTWDKZNH-GJZGRUSLSA-N 1 1 299.418 3.397 20 30 CGEDMO C=CC[C@@H]1[N@@H+](C[C@@H](O)CCOC(C)C)CCCC1(C)C ZINC000444783203 373275011 /nfs/dbraw/zinc/27/50/11/373275011.db2.gz KJTWGZWQZLDUMO-HOTGVXAUSA-N 1 1 283.456 3.229 20 30 CGEDMO C=CC[C@@H]1[N@@H+](C[C@H](O)CCOC(C)C)CCCC1(C)C ZINC000444783202 373275455 /nfs/dbraw/zinc/27/54/55/373275455.db2.gz KJTWGZWQZLDUMO-CVEARBPZSA-N 1 1 283.456 3.229 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)[C@@H](C)[C@H](C)O1 ZINC000444677264 373232554 /nfs/dbraw/zinc/23/25/54/373232554.db2.gz SLUWXKVBCUFJHP-RDBSUJKOSA-N 1 1 252.402 3.204 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)[C@H](C)[C@H](C)O1 ZINC000444677260 373232818 /nfs/dbraw/zinc/23/28/18/373232818.db2.gz SLUWXKVBCUFJHP-MCIONIFRSA-N 1 1 252.402 3.204 20 30 CGEDMO C#CC[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)c1ccccc1 ZINC000297002745 373254849 /nfs/dbraw/zinc/25/48/49/373254849.db2.gz SVWVXOJAWAULLH-CWRNSKLLSA-N 1 1 265.360 3.243 20 30 CGEDMO CC(C)[C@@H]1CCC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000444769003 373264153 /nfs/dbraw/zinc/26/41/53/373264153.db2.gz GYYQXQHGBBNIII-MRXNPFEDSA-N 1 1 272.392 3.305 20 30 CGEDMO CC(C)[C@@H]1C[N@H+](Cc2ccc(F)cc2C#N)CCS1 ZINC000174326732 373293006 /nfs/dbraw/zinc/29/30/06/373293006.db2.gz VVJYKYZPAIXKSG-HNNXBMFYSA-N 1 1 278.396 3.271 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](Cc2ccc(F)cc2C#N)CCS1 ZINC000174326732 373293011 /nfs/dbraw/zinc/29/30/11/373293011.db2.gz VVJYKYZPAIXKSG-HNNXBMFYSA-N 1 1 278.396 3.271 20 30 CGEDMO CC[C@@H](NCCC[NH+](CC)CC)c1ccc(C#N)cc1 ZINC000447508692 373440709 /nfs/dbraw/zinc/44/07/09/373440709.db2.gz CSRMZLOEHIBYTO-QGZVFWFLSA-N 1 1 273.424 3.331 20 30 CGEDMO C[N@H+]1CCCC(C)(C)[C@H]1CNc1ncc(C#N)cc1Cl ZINC000447813406 373495133 /nfs/dbraw/zinc/49/51/33/373495133.db2.gz RPUXINNGYITSPB-CYBMUJFWSA-N 1 1 292.814 3.139 20 30 CGEDMO C[N@H+](CCCSCC#N)Cc1nc2c(s1)CCCC2 ZINC000175545798 373483628 /nfs/dbraw/zinc/48/36/28/373483628.db2.gz FYGFVXTWIWSCAU-UHFFFAOYSA-N 1 1 295.477 3.101 20 30 CGEDMO C[N@@H+](CCCSCC#N)Cc1nc2c(s1)CCCC2 ZINC000175545798 373483639 /nfs/dbraw/zinc/48/36/39/373483639.db2.gz FYGFVXTWIWSCAU-UHFFFAOYSA-N 1 1 295.477 3.101 20 30 CGEDMO C=CC[N@@H+](Cc1nccnc1OC)CC1CCCCC1 ZINC000449034024 373657368 /nfs/dbraw/zinc/65/73/68/373657368.db2.gz HMXQMTIJKVAQQO-UHFFFAOYSA-N 1 1 275.396 3.054 20 30 CGEDMO C=CC[N@H+](Cc1nccnc1OC)CC1CCCCC1 ZINC000449034024 373657374 /nfs/dbraw/zinc/65/73/74/373657374.db2.gz HMXQMTIJKVAQQO-UHFFFAOYSA-N 1 1 275.396 3.054 20 30 CGEDMO C=CCCCC[C@H](C)[NH2+]C[C@H]1CCCN(CC)C1 ZINC000449104367 373661616 /nfs/dbraw/zinc/66/16/16/373661616.db2.gz FHBJOPLRCUCTIM-JKSUJKDBSA-N 1 1 252.446 3.443 20 30 CGEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc(C#N)cc1 ZINC000301121672 373669625 /nfs/dbraw/zinc/66/96/25/373669625.db2.gz YCOBAEYCJPGWKC-ZNMIVQPWSA-N 1 1 271.408 3.337 20 30 CGEDMO C[C@@H]1C[C@@H](N(C)CC#Cc2ccc(Cl)cc2)CC[N@H+]1C ZINC000177292397 373672304 /nfs/dbraw/zinc/67/23/04/373672304.db2.gz AOQGPYSYAQZNTA-PBHICJAKSA-N 1 1 290.838 3.106 20 30 CGEDMO CO[C@@H]1C[C@@H]([N@@H+](C)CC(C)(C)CCC#N)C12CCC2 ZINC000449635865 373838878 /nfs/dbraw/zinc/83/88/78/373838878.db2.gz VCFZLXIBVRSUIZ-ZIAGYGMSSA-N 1 1 264.413 3.206 20 30 CGEDMO C=CCC[C@@H](CCC)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000449560213 373831629 /nfs/dbraw/zinc/83/16/29/373831629.db2.gz HRHCHZCKAYFKBW-WZYMTQMTSA-N 1 1 250.430 3.336 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000449733233 373860916 /nfs/dbraw/zinc/86/09/16/373860916.db2.gz OGFKZDOKYFNTRY-MRXNPFEDSA-N 1 1 272.417 3.277 20 30 CGEDMO C=CC[NH+]1CCC(N[C@H](CCC)c2ccccn2)CC1 ZINC000179470884 373876601 /nfs/dbraw/zinc/87/66/01/373876601.db2.gz PLNBRZOKBDTSQD-QGZVFWFLSA-N 1 1 273.424 3.163 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000449862415 373947529 /nfs/dbraw/zinc/94/75/29/373947529.db2.gz XIUHVWILPGRTGF-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC1(C(=O)NCCNc2cccc(C)[nH+]2)CCCC1 ZINC000449895593 373962347 /nfs/dbraw/zinc/96/23/47/373962347.db2.gz MTGLIHWSABADTI-UHFFFAOYSA-N 1 1 287.407 3.055 20 30 CGEDMO C=CCOc1ccccc1CN(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000449789216 373921994 /nfs/dbraw/zinc/92/19/94/373921994.db2.gz ZFLFCSFZJYLJMQ-KRWDZBQOSA-N 1 1 288.435 3.166 20 30 CGEDMO C=CCC1(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)CCCC1 ZINC000449796405 373928880 /nfs/dbraw/zinc/92/88/80/373928880.db2.gz TZQQNNMWPYDTGM-AWEZNQCLSA-N 1 1 289.423 3.080 20 30 CGEDMO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2ccc(C#N)s2)C1(C)C ZINC000180251973 373982836 /nfs/dbraw/zinc/98/28/36/373982836.db2.gz UAGJZUYTNHWFHN-DZGCQCFKSA-N 1 1 278.421 3.255 20 30 CGEDMO C[C@H](NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000181502552 374133014 /nfs/dbraw/zinc/13/30/14/374133014.db2.gz NQBFPBDBEUJRAH-PMPSAXMXSA-N 1 1 285.435 3.329 20 30 CGEDMO C[C@H](NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000181502552 374133019 /nfs/dbraw/zinc/13/30/19/374133019.db2.gz NQBFPBDBEUJRAH-PMPSAXMXSA-N 1 1 285.435 3.329 20 30 CGEDMO CC[N@@H+](CCCOCc1ccccc1)C[C@H](C)C#N ZINC000182297203 374254587 /nfs/dbraw/zinc/25/45/87/374254587.db2.gz KUGHXNWIVFOFCW-OAHLLOKOSA-N 1 1 260.381 3.075 20 30 CGEDMO C[C@@H](NCc1ccccc1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183102627 374370848 /nfs/dbraw/zinc/37/08/48/374370848.db2.gz YEHYCNOAPFMGHD-CRAIPNDOSA-N 1 1 297.446 3.301 20 30 CGEDMO Cn1cc(C[N@@H+](C)CC2CCC2)c(-c2ccc(C#N)cc2)n1 ZINC000183254546 374394106 /nfs/dbraw/zinc/39/41/06/374394106.db2.gz GVEGGBIYEBHCJQ-UHFFFAOYSA-N 1 1 294.402 3.191 20 30 CGEDMO CC1=CC[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000328770379 374380874 /nfs/dbraw/zinc/38/08/74/374380874.db2.gz ACPNHIOJJKGMBI-CQSZACIVSA-N 1 1 275.396 3.210 20 30 CGEDMO CC1=CC[N@@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000328770379 374380880 /nfs/dbraw/zinc/38/08/80/374380880.db2.gz ACPNHIOJJKGMBI-CQSZACIVSA-N 1 1 275.396 3.210 20 30 CGEDMO C=CCC1(C(=O)NCC[N@@H+]2CCCC2(C)C)CCCC1 ZINC000457051363 374641580 /nfs/dbraw/zinc/64/15/80/374641580.db2.gz HLODOGTWIXEZQN-UHFFFAOYSA-N 1 1 278.440 3.114 20 30 CGEDMO C[C@@H]1CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@H]1C ZINC000459333458 374805431 /nfs/dbraw/zinc/80/54/31/374805431.db2.gz BTBDKNQMFVKXJZ-NEPJUHHUSA-N 1 1 273.336 3.087 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@H]1C ZINC000459333458 374805434 /nfs/dbraw/zinc/80/54/34/374805434.db2.gz BTBDKNQMFVKXJZ-NEPJUHHUSA-N 1 1 273.336 3.087 20 30 CGEDMO C[C@@H]1CCC(C)(C)[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459509737 374809146 /nfs/dbraw/zinc/80/91/46/374809146.db2.gz LIOKASXYTOGMGU-LLVKDONJSA-N 1 1 273.336 3.229 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c1 ZINC000186438130 374852449 /nfs/dbraw/zinc/85/24/49/374852449.db2.gz PXUWWVVSSCQWIV-IBGZPJMESA-N 1 1 290.366 3.190 20 30 CGEDMO C[C@@H]([NH2+][C@@H](C)CN1CCCCCC1)c1ccc(C#N)cc1 ZINC000186728677 374906548 /nfs/dbraw/zinc/90/65/48/374906548.db2.gz YRVNOWRUOQZROL-JKSUJKDBSA-N 1 1 285.435 3.473 20 30 CGEDMO C=CCOCCC[N@@H+]1CCN(c2ccccc2)C[C@H]1CC ZINC000470761824 374999608 /nfs/dbraw/zinc/99/96/08/374999608.db2.gz LPYHZOLRMHKVBY-QGZVFWFLSA-N 1 1 288.435 3.180 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](CCC)Cc1ccc(F)cc1 ZINC000472773906 375033799 /nfs/dbraw/zinc/03/37/99/375033799.db2.gz RGKVIESVAPBSLW-MRXNPFEDSA-N 1 1 265.372 3.365 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC000472766697 375033970 /nfs/dbraw/zinc/03/39/70/375033970.db2.gz HEPAHOXCLVTOOM-DLBZAZTESA-N 1 1 259.393 3.459 20 30 CGEDMO C[N@@H+](CC#Cc1ccccc1)C1Cc2ccccc2C1 ZINC000483526470 375182380 /nfs/dbraw/zinc/18/23/80/375182380.db2.gz ACMNWHYQPZHCDG-UHFFFAOYSA-N 1 1 261.368 3.137 20 30 CGEDMO C[C@H]1CC[C@@](CO)([N@@H+](C)Cc2ccc(Cl)cc2C#N)C1 ZINC000188007088 375138824 /nfs/dbraw/zinc/13/88/24/375138824.db2.gz VWNCWSVKAVJCNH-BLLLJJGKSA-N 1 1 292.810 3.195 20 30 CGEDMO C[C@H](CO)[N@@H+](CC#Cc1ccccc1Cl)CC1CCC1 ZINC000483144945 375175508 /nfs/dbraw/zinc/17/55/08/375175508.db2.gz SQJJYCHMZCEYJD-CQSZACIVSA-N 1 1 291.822 3.174 20 30 CGEDMO C[C@@]12CC[N@@H+](Cc3cc(C#N)cs3)C[C@@H]1C2(F)F ZINC000335230513 375246966 /nfs/dbraw/zinc/24/69/66/375246966.db2.gz LRFSFCWUQHGVCF-NWDGAFQWSA-N 1 1 268.332 3.097 20 30 CGEDMO C=CC[N@H+](CC(=O)NCCCCC)CC1CCCCC1 ZINC000484994641 375190281 /nfs/dbraw/zinc/19/02/81/375190281.db2.gz JXLZEQKKQMCXCP-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C=CCCCCC[N@H+]1CCc2ccccc2[C@@H]1CO ZINC000488123723 375305419 /nfs/dbraw/zinc/30/54/19/375305419.db2.gz JKDAABPERUSGGW-KRWDZBQOSA-N 1 1 259.393 3.325 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3cccnc3)C2)cc1F ZINC000335413897 375272453 /nfs/dbraw/zinc/27/24/53/375272453.db2.gz CQDZLSPALDXLFS-INIZCTEOSA-N 1 1 281.334 3.082 20 30 CGEDMO CC(C)(C)C[N@@H+](C/C=C\c1ccncc1)CCC#N ZINC000494921548 375496064 /nfs/dbraw/zinc/49/60/64/375496064.db2.gz JDSMAKZVJJBLAI-XQRVVYSFSA-N 1 1 257.381 3.357 20 30 CGEDMO CC(C)(C)C[N@H+](C/C=C\c1ccncc1)CCC#N ZINC000494921548 375496072 /nfs/dbraw/zinc/49/60/72/375496072.db2.gz JDSMAKZVJJBLAI-XQRVVYSFSA-N 1 1 257.381 3.357 20 30 CGEDMO C=C(C)CN(C)[C@@H]1CCCC[C@H]1[N@@H+](C)CC(=C)C ZINC000495406076 375499792 /nfs/dbraw/zinc/49/97/92/375499792.db2.gz FDOIWUGGADPGBS-HZPDHXFCSA-N 1 1 250.430 3.313 20 30 CGEDMO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)c(F)c2)on1 ZINC000335886047 375513675 /nfs/dbraw/zinc/51/36/75/375513675.db2.gz UQMLTNQILZVQED-OAHLLOKOSA-N 1 1 285.322 3.331 20 30 CGEDMO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(C#N)c(F)c2)on1 ZINC000335886047 375513680 /nfs/dbraw/zinc/51/36/80/375513680.db2.gz UQMLTNQILZVQED-OAHLLOKOSA-N 1 1 285.322 3.331 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)ccc1C#N ZINC000335933687 375550318 /nfs/dbraw/zinc/55/03/18/375550318.db2.gz NSHGURWUJXKDLX-DLBZAZTESA-N 1 1 270.376 3.010 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@@](F)(c2ccccc2C)C1 ZINC000502952355 375648183 /nfs/dbraw/zinc/64/81/83/375648183.db2.gz LDWFYEHVTVENON-KRWDZBQOSA-N 1 1 277.383 3.458 20 30 CGEDMO C[C@H](O)C[N@@H+](Cc1ccc(C#N)c(F)c1)C1CCCCC1 ZINC000191996922 375688131 /nfs/dbraw/zinc/68/81/31/375688131.db2.gz PDEXEISHBMTYSX-ZDUSSCGKSA-N 1 1 290.382 3.213 20 30 CGEDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1CCCC(C)(C)C#N ZINC000124147258 542031899 /nfs/dbraw/zinc/03/18/99/542031899.db2.gz DDAPYWKDPDSLRK-CABCVRRESA-N 1 1 266.429 3.332 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC000508990923 375766920 /nfs/dbraw/zinc/76/69/20/375766920.db2.gz JFJZTHOGPVSESA-CYBMUJFWSA-N 1 1 253.386 3.149 20 30 CGEDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000192624010 375772611 /nfs/dbraw/zinc/77/26/11/375772611.db2.gz HSLPVUIMQBWNMP-DGCLKSJQSA-N 1 1 291.420 3.069 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@H]1Cc1ccccc1C ZINC000514743852 375805797 /nfs/dbraw/zinc/80/57/97/375805797.db2.gz NVAAKCRRKDDIQL-KRWDZBQOSA-N 1 1 259.393 3.205 20 30 CGEDMO C=CCCCCCNC(=O)N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000514871515 375806710 /nfs/dbraw/zinc/80/67/10/375806710.db2.gz PQVOMJDDMZTKGF-MRXNPFEDSA-N 1 1 295.471 3.106 20 30 CGEDMO N#Cc1ccc(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000192960161 375807993 /nfs/dbraw/zinc/80/79/93/375807993.db2.gz OFYUGAGLISJMQW-GOSISDBHSA-N 1 1 291.398 3.492 20 30 CGEDMO CN(C)c1ccccc1C[N@@H+](C)CC#Cc1ccccc1 ZINC000515090419 375810078 /nfs/dbraw/zinc/81/00/78/375810078.db2.gz YGPTTXWTGSODOA-UHFFFAOYSA-N 1 1 278.399 3.236 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000511627375 375791486 /nfs/dbraw/zinc/79/14/86/375791486.db2.gz NDTSNRFTALUBGG-CHWSQXEVSA-N 1 1 279.346 3.226 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccc(CC#N)cc2)CCS1 ZINC000336546231 375822250 /nfs/dbraw/zinc/82/22/50/375822250.db2.gz XGKXLCQFRUXSTO-ZDUSSCGKSA-N 1 1 260.406 3.080 20 30 CGEDMO C=C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000336657265 375897188 /nfs/dbraw/zinc/89/71/88/375897188.db2.gz POFBQCSPIBXUFM-YQQAZPJKSA-N 1 1 258.409 3.061 20 30 CGEDMO C=C[C@H](C)[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000336657269 375897217 /nfs/dbraw/zinc/89/72/17/375897217.db2.gz POFBQCSPIBXUFM-ZMSDIMECSA-N 1 1 258.409 3.061 20 30 CGEDMO C[N@@H+](Cc1ccc(Br)cc1C#N)C1CCC1 ZINC000336682959 375903648 /nfs/dbraw/zinc/90/36/48/375903648.db2.gz YVCXKXSCTNCQBE-UHFFFAOYSA-N 1 1 279.181 3.305 20 30 CGEDMO CCc1ccc([C@H]2CC[N@@H+](C[C@@H](O)CC3(C#N)CC3)C2)cc1 ZINC000528513052 375903900 /nfs/dbraw/zinc/90/39/00/375903900.db2.gz QOQFZSZJXRBZOJ-ROUUACIJSA-N 1 1 298.430 3.093 20 30 CGEDMO N#CC1(C[N@@H+]2CCC[C@@]3(CCc4ccccc4O3)C2)CC1 ZINC000528732552 375908884 /nfs/dbraw/zinc/90/88/84/375908884.db2.gz ZGAXHLDLKIWPJP-GOSISDBHSA-N 1 1 282.387 3.150 20 30 CGEDMO N#CC1(C[N@H+]2CCC[C@@]3(CCc4ccccc4O3)C2)CC1 ZINC000528732552 375908890 /nfs/dbraw/zinc/90/88/90/375908890.db2.gz ZGAXHLDLKIWPJP-GOSISDBHSA-N 1 1 282.387 3.150 20 30 CGEDMO C[C@H]1CC(F)(F)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000528767623 375910102 /nfs/dbraw/zinc/91/01/02/375910102.db2.gz JUZHOTFRBCRZSO-LBPRGKRZSA-N 1 1 267.294 3.297 20 30 CGEDMO C[C@H]1CC(F)(F)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000528767623 375910108 /nfs/dbraw/zinc/91/01/08/375910108.db2.gz JUZHOTFRBCRZSO-LBPRGKRZSA-N 1 1 267.294 3.297 20 30 CGEDMO C=C(C)C[N@H+](CC(=O)OC)[C@H](CC)c1ccccc1 ZINC000533534304 375955164 /nfs/dbraw/zinc/95/51/64/375955164.db2.gz GUAYJRDZBRFXSY-OAHLLOKOSA-N 1 1 261.365 3.189 20 30 CGEDMO C=C(C)C[N@@H+](CC(=O)OC)[C@H](CC)c1ccccc1 ZINC000533534304 375955169 /nfs/dbraw/zinc/95/51/69/375955169.db2.gz GUAYJRDZBRFXSY-OAHLLOKOSA-N 1 1 261.365 3.189 20 30 CGEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2c2cc(C)ccc2C)C1=O ZINC000337155890 376104008 /nfs/dbraw/zinc/10/40/08/376104008.db2.gz OIIRXYWWRYYEJO-ZWKOTPCHSA-N 1 1 298.430 3.227 20 30 CGEDMO C[C@@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)C[C@@H]1C ZINC000337172541 376113702 /nfs/dbraw/zinc/11/37/02/376113702.db2.gz FLYSCVWTTTUCCG-CABCVRRESA-N 1 1 264.413 3.065 20 30 CGEDMO CC(C)[N@H+](CCC#N)Cc1cccc(OCCCC#N)c1 ZINC000535796031 376061999 /nfs/dbraw/zinc/06/19/99/376061999.db2.gz RQDYOMVYOLERBB-UHFFFAOYSA-N 1 1 285.391 3.493 20 30 CGEDMO CC(C)[N@@H+](CCC#N)Cc1cccc(OCCCC#N)c1 ZINC000535796031 376062002 /nfs/dbraw/zinc/06/20/02/376062002.db2.gz RQDYOMVYOLERBB-UHFFFAOYSA-N 1 1 285.391 3.493 20 30 CGEDMO C=CCCC[C@H](C)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000538148872 376222610 /nfs/dbraw/zinc/22/26/10/376222610.db2.gz ORLQNKOJRPZLRZ-HRCADAONSA-N 1 1 250.430 3.147 20 30 CGEDMO C=CCCC[C@H](C)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000538148872 376222616 /nfs/dbraw/zinc/22/26/16/376222616.db2.gz ORLQNKOJRPZLRZ-HRCADAONSA-N 1 1 250.430 3.147 20 30 CGEDMO C=CCc1cc(C[N@H+]2C[C@H](C)C[C@H]2C)cc(OC)c1O ZINC000539837886 376340295 /nfs/dbraw/zinc/34/02/95/376340295.db2.gz BHXONIXLPVXZCZ-CHWSQXEVSA-N 1 1 275.392 3.360 20 30 CGEDMO C[C@@H]([NH2+]Cc1nc2cccnc2s1)c1ccc(C#N)cc1 ZINC000338374579 376354979 /nfs/dbraw/zinc/35/49/79/376354979.db2.gz UWYZMYCEXXUNSP-LLVKDONJSA-N 1 1 294.383 3.414 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000338562461 376430301 /nfs/dbraw/zinc/43/03/01/376430301.db2.gz CKWFLTBPWGKUSX-HZPDHXFCSA-N 1 1 258.409 3.157 20 30 CGEDMO C=CCCN1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000338562461 376430306 /nfs/dbraw/zinc/43/03/06/376430306.db2.gz CKWFLTBPWGKUSX-HZPDHXFCSA-N 1 1 258.409 3.157 20 30 CGEDMO C=CCCN1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000338562461 376430309 /nfs/dbraw/zinc/43/03/09/376430309.db2.gz CKWFLTBPWGKUSX-HZPDHXFCSA-N 1 1 258.409 3.157 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCO[C@H](C3CCCCC3)C2)c1 ZINC000542649094 376562314 /nfs/dbraw/zinc/56/23/14/376562314.db2.gz SWFLNDWFFWSLPV-SFHVURJKSA-N 1 1 284.403 3.339 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCO[C@H](C3CCCCC3)C2)c1 ZINC000542649094 376562322 /nfs/dbraw/zinc/56/23/22/376562322.db2.gz SWFLNDWFFWSLPV-SFHVURJKSA-N 1 1 284.403 3.339 20 30 CGEDMO C[N@@H+](CCOc1ccccc1C#N)C[C@H]1CC=CCC1 ZINC000543181124 376616152 /nfs/dbraw/zinc/61/61/52/376616152.db2.gz AMJREVSQNAWDAR-HNNXBMFYSA-N 1 1 270.376 3.225 20 30 CGEDMO COc1cc(C[NH2+][C@H](C)c2nc(C)cs2)ccc1C#N ZINC000234950995 376627243 /nfs/dbraw/zinc/62/72/43/376627243.db2.gz AQSOUBVHUXUPGM-LLVKDONJSA-N 1 1 287.388 3.183 20 30 CGEDMO C=CCn1c(C)nnc1SC[C@H]1CCCC[N@@H+]1C(C)C ZINC000339117396 376691827 /nfs/dbraw/zinc/69/18/27/376691827.db2.gz SJOMSNOAPVBREY-CQSZACIVSA-N 1 1 294.468 3.128 20 30 CGEDMO Cc1[nH+]ccn1-c1ncccc1NCc1cccc(C#N)c1 ZINC000237640388 376757423 /nfs/dbraw/zinc/75/74/23/376757423.db2.gz MBRZETNEQGZXPL-UHFFFAOYSA-N 1 1 289.342 3.060 20 30 CGEDMO CC1(C)C[N@H+](CCCCC#N)C[C@](C)(C(F)(F)F)O1 ZINC000339458149 376759416 /nfs/dbraw/zinc/75/94/16/376759416.db2.gz WZERKUQLYKGPDC-GFCCVEGCSA-N 1 1 278.318 3.112 20 30 CGEDMO CC1(C)C[N@@H+](CCCCC#N)C[C@](C)(C(F)(F)F)O1 ZINC000339458149 376759433 /nfs/dbraw/zinc/75/94/33/376759433.db2.gz WZERKUQLYKGPDC-GFCCVEGCSA-N 1 1 278.318 3.112 20 30 CGEDMO C[C@H]1C[C@@H](C(C)(C)C)CC[N@H+]1CCOCCC#N ZINC000339206105 376733593 /nfs/dbraw/zinc/73/35/93/376733593.db2.gz OXZZAAONOXPYOA-KBPBESRZSA-N 1 1 252.402 3.063 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@H](CC3CC3)C2)ccc1F ZINC000339678571 376803818 /nfs/dbraw/zinc/80/38/18/376803818.db2.gz HYZGDQARJOFVAC-CQSZACIVSA-N 1 1 258.340 3.319 20 30 CGEDMO C=CCOCC[N@H+]1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000555376880 376856228 /nfs/dbraw/zinc/85/62/28/376856228.db2.gz DMMGBCKOBIHQPF-XJKSGUPXSA-N 1 1 263.356 3.411 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000556991521 376916389 /nfs/dbraw/zinc/91/63/89/376916389.db2.gz GHZYEDDMVYWMSL-SFHVURJKSA-N 1 1 292.467 3.383 20 30 CGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000557052648 376919615 /nfs/dbraw/zinc/91/96/15/376919615.db2.gz ZZGQNJOLFGDEKY-ZFWWWQNUSA-N 1 1 297.402 3.007 20 30 CGEDMO Clc1cccc(C#CC[N@H+]2CC[C@H]3OCCC[C@H]3C2)c1 ZINC000245926692 376937151 /nfs/dbraw/zinc/93/71/51/376937151.db2.gz IBLKXOAYUXETCT-DOTOQJQBSA-N 1 1 289.806 3.192 20 30 CGEDMO C[C@@H](NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000245965375 376945293 /nfs/dbraw/zinc/94/52/93/376945293.db2.gz YWQIBVQDTGZJJK-OWCLPIDISA-N 1 1 285.435 3.329 20 30 CGEDMO C[C@@H](NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000245965375 376945297 /nfs/dbraw/zinc/94/52/97/376945297.db2.gz YWQIBVQDTGZJJK-OWCLPIDISA-N 1 1 285.435 3.329 20 30 CGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]3CCC[C@H]32)cc1 ZINC000246731529 377079223 /nfs/dbraw/zinc/07/92/23/377079223.db2.gz DTNNMILEFAKRGV-NVXWUHKLSA-N 1 1 297.402 3.151 20 30 CGEDMO CC(C)(C#N)CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000247005633 377136147 /nfs/dbraw/zinc/13/61/47/377136147.db2.gz XDUFVGIGHZVZDP-DOTOQJQBSA-N 1 1 289.467 3.265 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000247005633 377136151 /nfs/dbraw/zinc/13/61/51/377136151.db2.gz XDUFVGIGHZVZDP-DOTOQJQBSA-N 1 1 289.467 3.265 20 30 CGEDMO CC(C)(C#N)CCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247005633 377136154 /nfs/dbraw/zinc/13/61/54/377136154.db2.gz XDUFVGIGHZVZDP-DOTOQJQBSA-N 1 1 289.467 3.265 20 30 CGEDMO CC(C)(C#N)CCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247005633 377136162 /nfs/dbraw/zinc/13/61/62/377136162.db2.gz XDUFVGIGHZVZDP-DOTOQJQBSA-N 1 1 289.467 3.265 20 30 CGEDMO CN(CC[N@@H+](C)Cc1cccc(C#N)c1F)c1ccccc1 ZINC000340901132 377310063 /nfs/dbraw/zinc/31/00/63/377310063.db2.gz NZLRUVPCPNZKDQ-UHFFFAOYSA-N 1 1 297.377 3.266 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)[C@@H]2CCCC[C@@H]21 ZINC000248374169 377298930 /nfs/dbraw/zinc/29/89/30/377298930.db2.gz OFLHHHPWVLMWEZ-KBRIMQKVSA-N 1 1 294.402 3.216 20 30 CGEDMO N#CC1(CC[N@@H+]2CC[C@H](OC(F)F)C2)CCCCC1 ZINC000562707379 377351213 /nfs/dbraw/zinc/35/12/13/377351213.db2.gz QPHLSESTLGUPMM-LBPRGKRZSA-N 1 1 272.339 3.164 20 30 CGEDMO CCC[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000563215070 377421576 /nfs/dbraw/zinc/42/15/76/377421576.db2.gz BLSXWPOAJSDSGB-ZDUSSCGKSA-N 1 1 287.363 3.479 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@@H]1CCCC[C@H]1O ZINC000566834957 377501141 /nfs/dbraw/zinc/50/11/41/377501141.db2.gz UUUTYUZQRUZRAC-DOTOQJQBSA-N 1 1 277.383 3.365 20 30 CGEDMO C[C@H]1CC[N@@H+](CCC(C)(C)C#N)C[C@H]1C(=O)OC(C)(C)C ZINC000567791302 377509793 /nfs/dbraw/zinc/50/97/93/377509793.db2.gz MZACWTQVJCUEBP-UONOGXRCSA-N 1 1 294.439 3.226 20 30 CGEDMO C=CC[C@@H](C(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2)c1ccccc1 ZINC000569864902 377530789 /nfs/dbraw/zinc/53/07/89/377530789.db2.gz FTNKPLBKHMFBFC-RCCFBDPRSA-N 1 1 298.430 3.041 20 30 CGEDMO C=CC[C@H](C(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2)c1ccccc1 ZINC000569864901 377530990 /nfs/dbraw/zinc/53/09/90/377530990.db2.gz FTNKPLBKHMFBFC-KSZLIROESA-N 1 1 298.430 3.041 20 30 CGEDMO C=CCCC[C@@H](C)[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC000573623552 377558742 /nfs/dbraw/zinc/55/87/42/377558742.db2.gz MYBBNOBMCDNYRO-CYBMUJFWSA-N 1 1 258.365 3.186 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1Cc2ccccc2NC(=O)C1 ZINC000573623552 377558745 /nfs/dbraw/zinc/55/87/45/377558745.db2.gz MYBBNOBMCDNYRO-CYBMUJFWSA-N 1 1 258.365 3.186 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000341758659 377616756 /nfs/dbraw/zinc/61/67/56/377616756.db2.gz AQYLZTJGSQGQKR-AOIWGVFYSA-N 1 1 295.430 3.152 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000341758659 377616765 /nfs/dbraw/zinc/61/67/65/377616765.db2.gz AQYLZTJGSQGQKR-AOIWGVFYSA-N 1 1 295.430 3.152 20 30 CGEDMO CCCCCCCCC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000731019039 572389961 /nfs/dbraw/zinc/38/99/61/572389961.db2.gz CREAQRORPSHWSQ-INIZCTEOSA-N 1 1 280.456 3.338 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000253091392 377674484 /nfs/dbraw/zinc/67/44/84/377674484.db2.gz JOFZEFLESKKEJD-ARFHVFGLSA-N 1 1 278.440 3.332 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253099941 377676458 /nfs/dbraw/zinc/67/64/58/377676458.db2.gz VTEFJUSMFRUSKN-BZUAXINKSA-N 1 1 278.440 3.332 20 30 CGEDMO C=CCOc1ccc(CN(C)[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000342671618 377723720 /nfs/dbraw/zinc/72/37/20/377723720.db2.gz AVGNSXCYLKKRQZ-QGZVFWFLSA-N 1 1 288.435 3.166 20 30 CGEDMO C=CCC[N@H+](C)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000343458308 377985541 /nfs/dbraw/zinc/98/55/41/377985541.db2.gz CDLKVEDAQUINMW-UHFFFAOYSA-N 1 1 273.355 3.078 20 30 CGEDMO C=CCC[N@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000343468081 377988739 /nfs/dbraw/zinc/98/87/39/377988739.db2.gz LDORCJAWRPMMFA-UHFFFAOYSA-N 1 1 258.365 3.377 20 30 CGEDMO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000264593530 377990068 /nfs/dbraw/zinc/99/00/68/377990068.db2.gz HIIIYKZFOFNPFC-CQSZACIVSA-N 1 1 296.370 3.488 20 30 CGEDMO N#Cc1ccc(C[NH+]2CCC(c3ccccc3F)CC2)nc1 ZINC000577861707 378018260 /nfs/dbraw/zinc/01/82/60/378018260.db2.gz KKVFBGCBHGCHOY-UHFFFAOYSA-N 1 1 295.361 3.472 20 30 CGEDMO C[C@H](C#N)C[N@H+](C)CCc1ccc2ccccc2c1 ZINC000265243756 378000675 /nfs/dbraw/zinc/00/06/75/378000675.db2.gz RRDSOCHCDCLBLY-CQSZACIVSA-N 1 1 252.361 3.474 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C)CCc1ccc2ccccc2c1 ZINC000265243756 378000679 /nfs/dbraw/zinc/00/06/79/378000679.db2.gz RRDSOCHCDCLBLY-CQSZACIVSA-N 1 1 252.361 3.474 20 30 CGEDMO C[C@H]1c2ccccc2CC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000268630028 378083358 /nfs/dbraw/zinc/08/33/58/378083358.db2.gz BLCJEMJXKWKSRM-LIRRHRJNSA-N 1 1 292.382 3.211 20 30 CGEDMO C#CC[N@@H+](CC)[C@H](C)C(=O)Nc1c(C)cccc1C(C)C ZINC000267360515 378036831 /nfs/dbraw/zinc/03/68/31/378036831.db2.gz WLPYVGVGVWJYKG-OAHLLOKOSA-N 1 1 286.419 3.401 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)C(=O)Nc1c(C)cccc1C(C)C ZINC000267360515 378036839 /nfs/dbraw/zinc/03/68/39/378036839.db2.gz WLPYVGVGVWJYKG-OAHLLOKOSA-N 1 1 286.419 3.401 20 30 CGEDMO C[N@@H+](CCCCC#N)[C@@H]1CCCN(c2ccccc2)C1 ZINC000267374072 378038018 /nfs/dbraw/zinc/03/80/18/378038018.db2.gz SODPGPXLHWNZJX-QGZVFWFLSA-N 1 1 271.408 3.281 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000578428621 378067768 /nfs/dbraw/zinc/06/77/68/378067768.db2.gz ZXEYILHRMFCEFT-ZDUSSCGKSA-N 1 1 253.777 3.140 20 30 CGEDMO C[C@H](c1cccnc1)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000343726393 378076730 /nfs/dbraw/zinc/07/67/30/378076730.db2.gz HLGQTVQPWOXDCX-CQSZACIVSA-N 1 1 265.360 3.341 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000578901609 378111755 /nfs/dbraw/zinc/11/17/55/378111755.db2.gz VUEHXZMQIINFFI-TZMCWYRMSA-N 1 1 265.422 3.458 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1F)C[C@@H]1CC=CCC1 ZINC000344012440 378153736 /nfs/dbraw/zinc/15/37/36/378153736.db2.gz CARMPVQWJHENSO-CYBMUJFWSA-N 1 1 258.340 3.485 20 30 CGEDMO Cc1ccnc([C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)c1 ZINC000579369629 378153938 /nfs/dbraw/zinc/15/39/38/378153938.db2.gz HZKMLMSUQCECNH-KRWDZBQOSA-N 1 1 277.371 3.251 20 30 CGEDMO Cc1ccnc([C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)c1 ZINC000579369630 378154318 /nfs/dbraw/zinc/15/43/18/378154318.db2.gz HZKMLMSUQCECNH-QGZVFWFLSA-N 1 1 277.371 3.251 20 30 CGEDMO CN(CCC[N@@H+](C)Cc1ccco1)c1ccc(C#N)cc1 ZINC000343804367 378097916 /nfs/dbraw/zinc/09/79/16/378097916.db2.gz HKBJVGKJPBBEQF-UHFFFAOYSA-N 1 1 283.375 3.110 20 30 CGEDMO CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000578827624 378104408 /nfs/dbraw/zinc/10/44/08/378104408.db2.gz ZYQVDTVDAJJZIT-GOSISDBHSA-N 1 1 279.387 3.406 20 30 CGEDMO CC[N@H+]1C[C@H](C)N(c2ccc(C#N)c(Cl)c2)C[C@@H]1C ZINC000345161093 378209124 /nfs/dbraw/zinc/20/91/24/378209124.db2.gz JOOWTYOFUCOGSO-RYUDHWBXSA-N 1 1 277.799 3.131 20 30 CGEDMO C[N@@H+](CC1(C#N)CC1)C1CCC(C(F)(F)F)CC1 ZINC000344139145 378161129 /nfs/dbraw/zinc/16/11/29/378161129.db2.gz YJAVKWGTACBLLB-UHFFFAOYSA-N 1 1 260.303 3.343 20 30 CGEDMO C[N@@H+](CCc1ccccc1O)Cc1ccc(CC#N)cc1 ZINC000344215072 378163514 /nfs/dbraw/zinc/16/35/14/378163514.db2.gz PLMXWRLRRPIEGW-UHFFFAOYSA-N 1 1 280.371 3.133 20 30 CGEDMO C=CC[N@H+](CCCn1ccnc1C)Cc1cccc(C#N)c1 ZINC000269675885 378252940 /nfs/dbraw/zinc/25/29/40/378252940.db2.gz CEYRERGYMVTUGP-UHFFFAOYSA-N 1 1 294.402 3.142 20 30 CGEDMO C=CCOCC[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000583859832 378353319 /nfs/dbraw/zinc/35/33/19/378353319.db2.gz MYLOHVQQDHDIJU-QGZVFWFLSA-N 1 1 259.393 3.286 20 30 CGEDMO CCC[N@@H+](CC)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000270779009 378398962 /nfs/dbraw/zinc/39/89/62/378398962.db2.gz OCCGZCDCZCIAHP-HNNXBMFYSA-N 1 1 287.407 3.054 20 30 CGEDMO Cc1ccc(C)c(OCCC[N@@H+](C)[C@@H](C)CC#N)c1 ZINC000345923007 378409619 /nfs/dbraw/zinc/40/96/19/378409619.db2.gz KDNWLSFUHUZQLX-HNNXBMFYSA-N 1 1 260.381 3.306 20 30 CGEDMO Cc1ccc(C)c(OCCC[N@H+](C)[C@@H](C)CC#N)c1 ZINC000345923007 378409623 /nfs/dbraw/zinc/40/96/23/378409623.db2.gz KDNWLSFUHUZQLX-HNNXBMFYSA-N 1 1 260.381 3.306 20 30 CGEDMO C#CC[N@@H+](CC)Cc1ccc(CSC(F)F)o1 ZINC000271156688 378465446 /nfs/dbraw/zinc/46/54/46/378465446.db2.gz WDQKJRLSNALLNV-UHFFFAOYSA-N 1 1 259.321 3.191 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccc(CSC(F)F)o1 ZINC000271156688 378465449 /nfs/dbraw/zinc/46/54/49/378465449.db2.gz WDQKJRLSNALLNV-UHFFFAOYSA-N 1 1 259.321 3.191 20 30 CGEDMO CC[N@@H+]1CCCC[C@@H]1CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271949362 378527601 /nfs/dbraw/zinc/52/76/01/378527601.db2.gz OFHXEOHWCSTXRB-XJKSGUPXSA-N 1 1 289.398 3.222 20 30 CGEDMO CC[N@H+]1CCCC[C@@H]1CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271949362 378527610 /nfs/dbraw/zinc/52/76/10/378527610.db2.gz OFHXEOHWCSTXRB-XJKSGUPXSA-N 1 1 289.398 3.222 20 30 CGEDMO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(F)cn1 ZINC000272202131 378583565 /nfs/dbraw/zinc/58/35/65/378583565.db2.gz JEJNEJYVNSKSBX-GFCCVEGCSA-N 1 1 281.334 3.432 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000272224182 378589172 /nfs/dbraw/zinc/58/91/72/378589172.db2.gz LDBHTXPIQHUTAX-AWEZNQCLSA-N 1 1 274.412 3.218 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000272224182 378589185 /nfs/dbraw/zinc/58/91/85/378589185.db2.gz LDBHTXPIQHUTAX-AWEZNQCLSA-N 1 1 274.412 3.218 20 30 CGEDMO COCC[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccco1 ZINC000272551084 378663784 /nfs/dbraw/zinc/66/37/84/378663784.db2.gz MGQDEUHCDMOVHM-OAHLLOKOSA-N 1 1 288.322 3.158 20 30 CGEDMO N#CCCC[NH2+][C@H](c1ccc(F)cc1)c1ccccn1 ZINC000346812092 378691315 /nfs/dbraw/zinc/69/13/15/378691315.db2.gz WHNFUGYXPULBJQ-MRXNPFEDSA-N 1 1 269.323 3.203 20 30 CGEDMO C=CC[N@@H+](CCOC1CCC1)Cc1ccccc1F ZINC000346828370 378693277 /nfs/dbraw/zinc/69/32/77/378693277.db2.gz PXQGRNNCKMIKNG-UHFFFAOYSA-N 1 1 263.356 3.383 20 30 CGEDMO C=CC[N@H+](CCOC1CCC1)Cc1ccccc1F ZINC000346828370 378693284 /nfs/dbraw/zinc/69/32/84/378693284.db2.gz PXQGRNNCKMIKNG-UHFFFAOYSA-N 1 1 263.356 3.383 20 30 CGEDMO COCC[N@@H+](CCC(C)(C)C#N)[C@@H]1CCC[C@H]1C ZINC000347161782 378709919 /nfs/dbraw/zinc/70/99/19/378709919.db2.gz SEFXWIWABLASTN-ZIAGYGMSSA-N 1 1 252.402 3.063 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1C(C)C ZINC000347272825 378710919 /nfs/dbraw/zinc/71/09/19/378710919.db2.gz YHNQEFZXAZJTTN-OAHLLOKOSA-N 1 1 258.365 3.187 20 30 CGEDMO C[C@H]1C[N@@H+](CCCCC#N)[C@@H](C)CN1Cc1ccccc1 ZINC000347586652 378721786 /nfs/dbraw/zinc/72/17/86/378721786.db2.gz VENGWJAHISCBTM-IRXDYDNUSA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1CCCCC#N ZINC000347586652 378721790 /nfs/dbraw/zinc/72/17/90/378721790.db2.gz VENGWJAHISCBTM-IRXDYDNUSA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1CCCCC#N ZINC000347586652 378721795 /nfs/dbraw/zinc/72/17/95/378721795.db2.gz VENGWJAHISCBTM-IRXDYDNUSA-N 1 1 285.435 3.275 20 30 CGEDMO C=CCOCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000348039183 378762105 /nfs/dbraw/zinc/76/21/05/378762105.db2.gz VGLLSIDPJLFTET-UHFFFAOYSA-N 1 1 290.363 3.152 20 30 CGEDMO C=CCOCCC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000348046330 378764739 /nfs/dbraw/zinc/76/47/39/378764739.db2.gz JDQABVIIDRZBII-UHFFFAOYSA-N 1 1 282.387 3.240 20 30 CGEDMO COCCC[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000346782087 218012612 /nfs/dbraw/zinc/01/26/12/218012612.db2.gz SCUWPTWHJZYWFL-UHFFFAOYSA-N 1 1 260.381 3.053 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(C=C)CC2)c1C ZINC000348170076 378820992 /nfs/dbraw/zinc/82/09/92/378820992.db2.gz QEBFESFSBPUBCF-UHFFFAOYSA-N 1 1 286.419 3.372 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)C[C@H](O)CCOC(C)C ZINC000348206663 378839638 /nfs/dbraw/zinc/83/96/38/378839638.db2.gz RCHDBAGUDJRATK-GOSISDBHSA-N 1 1 291.435 3.241 20 30 CGEDMO C=C(C)CC[N@H+](CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000274772356 378891994 /nfs/dbraw/zinc/89/19/94/378891994.db2.gz HUGGKPNGZCBEFC-UHFFFAOYSA-N 1 1 274.408 3.177 20 30 CGEDMO CCC[N@@H+](CCN1CCCC1)CC(C)(C)CCC#N ZINC000348556090 378993717 /nfs/dbraw/zinc/99/37/17/378993717.db2.gz OVILRGMLDCFKKP-UHFFFAOYSA-N 1 1 265.445 3.124 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1[C@H](c1nnc[nH]1)C1CCCCC1 ZINC000639111899 379035967 /nfs/dbraw/zinc/03/59/67/379035967.db2.gz KQIINMAMSNSBQY-GJZGRUSLSA-N 1 1 274.412 3.467 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1[C@H](c1nnc[nH]1)C1CCCCC1 ZINC000639111899 379035972 /nfs/dbraw/zinc/03/59/72/379035972.db2.gz KQIINMAMSNSBQY-GJZGRUSLSA-N 1 1 274.412 3.467 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1OC)CC(C)C ZINC000347259459 218172040 /nfs/dbraw/zinc/17/20/40/218172040.db2.gz MVQPHYVSBJHTCY-UHFFFAOYSA-N 1 1 260.381 3.435 20 30 CGEDMO C=CC[C@H]1[N@@H+](CCCc2nc(C)no2)CCCC1(C)C ZINC000277898294 379259772 /nfs/dbraw/zinc/25/97/72/379259772.db2.gz WMIUCVGZWHLDMX-CQSZACIVSA-N 1 1 277.412 3.377 20 30 CGEDMO C[C@H]1C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC[C@@H]1C ZINC000347580238 218280615 /nfs/dbraw/zinc/28/06/15/218280615.db2.gz KPGCCEAFVNELKO-STQMWFEESA-N 1 1 296.374 3.086 20 30 CGEDMO C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000266558506 190266979 /nfs/dbraw/zinc/26/69/79/190266979.db2.gz WONAKSBNHVSFQL-QWHCGFSZSA-N 1 1 296.374 3.229 20 30 CGEDMO C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(-c2ccccc2C#N)cc1 ZINC000349851570 379421969 /nfs/dbraw/zinc/42/19/69/379421969.db2.gz HQDHRBFOCBXDRT-KDOFPFPSSA-N 1 1 292.382 3.180 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)[C@H](CC)c2ccccc2)n1 ZINC000279701986 379495368 /nfs/dbraw/zinc/49/53/68/379495368.db2.gz JDHHBADMBBQJFF-GOSISDBHSA-N 1 1 281.403 3.490 20 30 CGEDMO C[C@@H]1C[C@H](N2CCCC2)C[N@@H+]1CCCCC(C)(C)C#N ZINC000375760289 379509595 /nfs/dbraw/zinc/50/95/95/379509595.db2.gz FLOLYQFPFWPSIK-CVEARBPZSA-N 1 1 277.456 3.265 20 30 CGEDMO C[C@@H]1C[C@H](N2CCCC2)C[N@H+]1CCCCC(C)(C)C#N ZINC000375760289 379509601 /nfs/dbraw/zinc/50/96/01/379509601.db2.gz FLOLYQFPFWPSIK-CVEARBPZSA-N 1 1 277.456 3.265 20 30 CGEDMO C=CC[N@H+](CCCc1nc(C)no1)Cc1ccccc1F ZINC000266899379 190288847 /nfs/dbraw/zinc/28/88/47/190288847.db2.gz WJKXZLDBRWQKCN-UHFFFAOYSA-N 1 1 289.354 3.138 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(Cc2ccccc2)CC1 ZINC000351845286 379746209 /nfs/dbraw/zinc/74/62/09/379746209.db2.gz RSYUCNWBIDKCHA-UHFFFAOYSA-N 1 1 258.409 3.161 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000352006608 379750260 /nfs/dbraw/zinc/75/02/60/379750260.db2.gz UUVCBHYMRIYEKK-INIZCTEOSA-N 1 1 272.392 3.080 20 30 CGEDMO Cc1[nH+]ccn1CCCCSc1ccc(C#N)cn1 ZINC000347734573 218337993 /nfs/dbraw/zinc/33/79/93/218337993.db2.gz HQLNPBWAIJKULA-UHFFFAOYSA-N 1 1 272.377 3.031 20 30 CGEDMO C[N@@H+]1Cc2ccccc2[C@H](Nc2ccc(C#N)cc2)C1 ZINC000378267934 379797309 /nfs/dbraw/zinc/79/73/09/379797309.db2.gz DJMCHXANEZAEPP-QGZVFWFLSA-N 1 1 263.344 3.157 20 30 CGEDMO CC[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)CCCO1 ZINC000281343060 379829502 /nfs/dbraw/zinc/82/95/02/379829502.db2.gz KDAUYIAUCWDUPV-MRXNPFEDSA-N 1 1 277.795 3.192 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000352481251 379832093 /nfs/dbraw/zinc/83/20/93/379832093.db2.gz LXWLSDVARMSNOH-UIBIWLFHSA-N 1 1 292.467 3.453 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H]1CCc2cc(F)c(OC)cc21 ZINC000281481015 379836568 /nfs/dbraw/zinc/83/65/68/379836568.db2.gz FUHSGKXGHNCPQE-GFCCVEGCSA-N 1 1 255.720 3.164 20 30 CGEDMO CC1(C)C[N@@H+](CCOc2cccc(C#N)c2)[C@@H]2CCC[C@@H]21 ZINC000378844477 379860347 /nfs/dbraw/zinc/86/03/47/379860347.db2.gz QSQFKZPXFHIKQD-DLBZAZTESA-N 1 1 284.403 3.448 20 30 CGEDMO Cc1ccc(C#N)cc1NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000352685565 379909080 /nfs/dbraw/zinc/90/90/80/379909080.db2.gz MSBVILQNRKUTTN-OAHLLOKOSA-N 1 1 285.391 3.070 20 30 CGEDMO C[C@H]1CN(CCC(C)(C)C#N)CC[N@H+]1Cc1ccccc1 ZINC000396596024 379922039 /nfs/dbraw/zinc/92/20/39/379922039.db2.gz ZQTRHFOHVOWFGH-INIZCTEOSA-N 1 1 285.435 3.133 20 30 CGEDMO C[C@H]1C[N@H+](CCC(C)(C)C#N)CCN1Cc1ccccc1 ZINC000396596024 379922044 /nfs/dbraw/zinc/92/20/44/379922044.db2.gz ZQTRHFOHVOWFGH-INIZCTEOSA-N 1 1 285.435 3.133 20 30 CGEDMO C[C@H]1C[N@@H+](CCC(C)(C)C#N)CCN1Cc1ccccc1 ZINC000396596024 379922053 /nfs/dbraw/zinc/92/20/53/379922053.db2.gz ZQTRHFOHVOWFGH-INIZCTEOSA-N 1 1 285.435 3.133 20 30 CGEDMO C=C(C)CCn1cc(C[NH2+][C@@H]2CCc3ccccc32)nn1 ZINC000641070143 379925948 /nfs/dbraw/zinc/92/59/48/379925948.db2.gz XFKUMMBAMDEVFC-QGZVFWFLSA-N 1 1 282.391 3.021 20 30 CGEDMO CC[C@@H]([NH2+]Cc1nc(C#N)cs1)c1cccs1 ZINC000352820389 379981769 /nfs/dbraw/zinc/98/17/69/379981769.db2.gz CRKGQISRKLVTJG-SNVBAGLBSA-N 1 1 263.391 3.317 20 30 CGEDMO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000267874465 190359740 /nfs/dbraw/zinc/35/97/40/190359740.db2.gz MMBMZZKGGMYHKS-HNNXBMFYSA-N 1 1 272.392 3.304 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000411313471 380139739 /nfs/dbraw/zinc/13/97/39/380139739.db2.gz XTPNYALVIGKUQV-FUHWJXTLSA-N 1 1 286.419 3.402 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)c1cnccn1 ZINC000411136999 380129856 /nfs/dbraw/zinc/12/98/56/380129856.db2.gz UITSCSGXGLFFTE-CQSZACIVSA-N 1 1 253.349 3.226 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)c1cnccn1 ZINC000411136999 380129859 /nfs/dbraw/zinc/12/98/59/380129859.db2.gz UITSCSGXGLFFTE-CQSZACIVSA-N 1 1 253.349 3.226 20 30 CGEDMO C=CC[NH+](CC=C)[C@H](CC)C(=O)Nc1ccc(OC)cc1 ZINC000411163681 380131459 /nfs/dbraw/zinc/13/14/59/380131459.db2.gz KKGOCNYNTXXGBH-MRXNPFEDSA-N 1 1 288.391 3.086 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000411143407 380132259 /nfs/dbraw/zinc/13/22/59/380132259.db2.gz HZEPQBNXTNUOBB-HUUCEWRRSA-N 1 1 285.391 3.029 20 30 CGEDMO C=C(C)CC[N@@H+](CC(=O)N1CCCCCC1)C(C)C ZINC000353202034 380165295 /nfs/dbraw/zinc/16/52/95/380165295.db2.gz IVBVKPDUMTUGPT-UHFFFAOYSA-N 1 1 266.429 3.066 20 30 CGEDMO N#Cc1ccc2c(c1)[C@H](N[C@H]1CC[N@@H+](C3CCCC3)C1)CC2 ZINC000353389021 380206369 /nfs/dbraw/zinc/20/63/69/380206369.db2.gz QXAVQCQSVUUZIE-QFBILLFUSA-N 1 1 295.430 3.152 20 30 CGEDMO N#Cc1ccc2c(c1)[C@H](N[C@H]1CC[N@H+](C3CCCC3)C1)CC2 ZINC000353389021 380206373 /nfs/dbraw/zinc/20/63/73/380206373.db2.gz QXAVQCQSVUUZIE-QFBILLFUSA-N 1 1 295.430 3.152 20 30 CGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](C)C(C)(C)C1 ZINC000354025041 380284129 /nfs/dbraw/zinc/28/41/29/380284129.db2.gz XWCXYMYSCCSZBY-UONOGXRCSA-N 1 1 299.418 3.253 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H]2COC)cc1Cl ZINC000354059405 380303729 /nfs/dbraw/zinc/30/37/29/380303729.db2.gz RRWGKXIZADTDLH-CYBMUJFWSA-N 1 1 281.783 3.126 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H]2COC)cc1Cl ZINC000354059405 380303734 /nfs/dbraw/zinc/30/37/34/380303734.db2.gz RRWGKXIZADTDLH-CYBMUJFWSA-N 1 1 281.783 3.126 20 30 CGEDMO C[N@@H+](CCSc1cccc(C#N)n1)Cc1ccccc1 ZINC000279074967 194273456 /nfs/dbraw/zinc/27/34/56/194273456.db2.gz MAEABXBNHSXLQG-UHFFFAOYSA-N 1 1 283.400 3.177 20 30 CGEDMO N#Cc1cccc([C@@H]2C[N@@H+](C[C@@H]3CC=CCC3)CCO2)c1 ZINC000355140347 380595301 /nfs/dbraw/zinc/59/53/01/380595301.db2.gz UAIVHMFRWYJDKY-QAPCUYQASA-N 1 1 282.387 3.288 20 30 CGEDMO C[N@@H+](CCSc1ccc(C#N)cn1)Cc1ccccc1 ZINC000279176890 194319675 /nfs/dbraw/zinc/31/96/75/194319675.db2.gz VFMRBIBHVRVIFZ-UHFFFAOYSA-N 1 1 283.400 3.177 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C1CC1 ZINC000356071138 380790327 /nfs/dbraw/zinc/79/03/27/380790327.db2.gz ZWVMORGZGWORPW-UHFFFAOYSA-N 1 1 254.255 3.171 20 30 CGEDMO C=CCC(C)(C)c1noc([C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000420505573 380854378 /nfs/dbraw/zinc/85/43/78/380854378.db2.gz RCJVQBHHAMZZPT-RYUDHWBXSA-N 1 1 263.385 3.121 20 30 CGEDMO CC[C@@H]1C[N@H+](CC(C)(C)CCC#N)C[C@H](CC)O1 ZINC000421397882 380949100 /nfs/dbraw/zinc/94/91/00/380949100.db2.gz YEULGDFDKIAABB-OKILXGFUSA-N 1 1 252.402 3.206 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@H](CC(F)(F)F)C2)cc1C#N ZINC000421392160 380939994 /nfs/dbraw/zinc/93/99/94/380939994.db2.gz QEWGRJONCSHKTR-LLVKDONJSA-N 1 1 285.313 3.061 20 30 CGEDMO CC[C@H]1CC[C@H](C)[N@H+]1Cc1ccc(C#N)cc1OC ZINC000357556526 381207140 /nfs/dbraw/zinc/20/71/40/381207140.db2.gz UXMXYBDINMWTAJ-WFASDCNBSA-N 1 1 258.365 3.330 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]3COCC[C@H]32)c(Cl)c1 ZINC000334804201 207106043 /nfs/dbraw/zinc/10/60/43/207106043.db2.gz LFZXQNJCQKBAJK-GOEBONIOSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1cc(C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)ccc1F ZINC000334804488 207107256 /nfs/dbraw/zinc/10/72/56/207107256.db2.gz BZFZGNWMZNRKHP-AEFFLSMTSA-N 1 1 296.345 3.005 20 30 CGEDMO N#Cc1cc(C[N@H+]2C[C@H](O)C[C@H]2c2ccccc2)ccc1F ZINC000334804488 207107261 /nfs/dbraw/zinc/10/72/61/207107261.db2.gz BZFZGNWMZNRKHP-AEFFLSMTSA-N 1 1 296.345 3.005 20 30 CGEDMO C=C(CC)C[N@H+](CCC(=O)OC)Cc1cccc(F)c1F ZINC000358513352 381313680 /nfs/dbraw/zinc/31/36/80/381313680.db2.gz UJVUXRVABMAKPY-UHFFFAOYSA-N 1 1 297.345 3.296 20 30 CGEDMO C=C(CC)C[N@@H+](CCC(=O)OC)Cc1cccc(F)c1F ZINC000358513352 381313688 /nfs/dbraw/zinc/31/36/88/381313688.db2.gz UJVUXRVABMAKPY-UHFFFAOYSA-N 1 1 297.345 3.296 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@]2(CC[C@H](C)C2)C1 ZINC000359551531 381352782 /nfs/dbraw/zinc/35/27/82/381352782.db2.gz FMNHHLMFNHVRBQ-BQFCYCMXSA-N 1 1 292.467 3.312 20 30 CGEDMO CC[C@@H]1[C@@H](C)CC[N@H+]1CCOc1ccccc1C#N ZINC000360478196 381556265 /nfs/dbraw/zinc/55/62/65/381556265.db2.gz OAMWITBMBPZWTA-DZGCQCFKSA-N 1 1 258.365 3.057 20 30 CGEDMO CC[N@@H+](CCC#N)CCCOc1cc(C)cc(C)c1 ZINC000361445738 381748536 /nfs/dbraw/zinc/74/85/36/381748536.db2.gz KNULSXSTDAOEMY-UHFFFAOYSA-N 1 1 260.381 3.308 20 30 CGEDMO CC[N@H+](CCC#N)CCCOc1cc(C)cc(C)c1 ZINC000361445738 381748543 /nfs/dbraw/zinc/74/85/43/381748543.db2.gz KNULSXSTDAOEMY-UHFFFAOYSA-N 1 1 260.381 3.308 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cc(C)ccc1OC(F)F ZINC000361646966 381858840 /nfs/dbraw/zinc/85/88/40/381858840.db2.gz JJALBSIVCUFLCJ-UHFFFAOYSA-N 1 1 285.334 3.231 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)n1 ZINC000334920210 207293033 /nfs/dbraw/zinc/29/30/33/207293033.db2.gz NEAFABVBMLGLRU-CQSZACIVSA-N 1 1 283.400 3.394 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)n1 ZINC000334920210 207293038 /nfs/dbraw/zinc/29/30/38/207293038.db2.gz NEAFABVBMLGLRU-CQSZACIVSA-N 1 1 283.400 3.394 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000362190277 381904155 /nfs/dbraw/zinc/90/41/55/381904155.db2.gz LNXLQKSUIYMLCI-CQSZACIVSA-N 1 1 253.386 3.006 20 30 CGEDMO N#CCC1(CNc2cc[nH+]c3ccc(Cl)cc23)CC1 ZINC000362356883 381955556 /nfs/dbraw/zinc/95/55/56/381955556.db2.gz CCHUEWRTKSOERX-UHFFFAOYSA-N 1 1 271.751 3.416 20 30 CGEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCCC2(C1)CCCCCC2 ZINC000362380329 381964977 /nfs/dbraw/zinc/96/49/77/381964977.db2.gz PQABCQAPWZQGNE-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C[N@H+](Cc1nc2cc(F)ccc2o1)Cc1ccc(C#N)cc1 ZINC000362468521 382008827 /nfs/dbraw/zinc/00/88/27/382008827.db2.gz PAIMZQOEEBWHAI-UHFFFAOYSA-N 1 1 295.317 3.471 20 30 CGEDMO C[N@@H+](Cc1nc2cc(F)ccc2o1)Cc1ccc(C#N)cc1 ZINC000362468521 382008835 /nfs/dbraw/zinc/00/88/35/382008835.db2.gz PAIMZQOEEBWHAI-UHFFFAOYSA-N 1 1 295.317 3.471 20 30 CGEDMO C[N@@H+]1Cc2ccccc2[C@H](Nc2ccc(F)cc2C#N)C1 ZINC000363448656 382222183 /nfs/dbraw/zinc/22/21/83/382222183.db2.gz GCUSROZAQVRBNM-QGZVFWFLSA-N 1 1 281.334 3.296 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(c2ccc(C)nc2)CC1 ZINC000363680657 382246468 /nfs/dbraw/zinc/24/64/68/382246468.db2.gz YILURAGBDCGHEE-UHFFFAOYSA-N 1 1 250.773 3.322 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)c1 ZINC000281001885 195064938 /nfs/dbraw/zinc/06/49/38/195064938.db2.gz MTOKITXAOOVVLC-QRVBRYPASA-N 1 1 298.430 3.464 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)ccc1C#N ZINC000335380091 208321404 /nfs/dbraw/zinc/32/14/04/208321404.db2.gz MNCVVZJHYJKACO-ZWKOTPCHSA-N 1 1 284.403 3.258 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000335382328 208325217 /nfs/dbraw/zinc/32/52/17/208325217.db2.gz YRTFJOYFJXQFIV-WMLDXEAASA-N 1 1 288.366 3.088 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCOC[C@H]2Cc2ccccc2)c1 ZINC000350616618 219037626 /nfs/dbraw/zinc/03/76/26/219037626.db2.gz UFDDWBKRFSZXCZ-LJQANCHMSA-N 1 1 292.382 3.002 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCOC[C@H]2Cc2ccccc2)c1 ZINC000350616618 219037630 /nfs/dbraw/zinc/03/76/30/219037630.db2.gz UFDDWBKRFSZXCZ-LJQANCHMSA-N 1 1 292.382 3.002 20 30 CGEDMO Cc1ccncc1CCC[N@H+](C)Cc1ccc(C#N)cc1 ZINC000289181564 197255586 /nfs/dbraw/zinc/25/55/86/197255586.db2.gz STSOQZLCYPGVTJ-UHFFFAOYSA-N 1 1 279.387 3.326 20 30 CGEDMO C[C@H]1[C@@H](Nc2ncccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000288289394 197044604 /nfs/dbraw/zinc/04/46/04/197044604.db2.gz RUKMAJYNBUNOPI-YOEHRIQHSA-N 1 1 292.386 3.028 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000353200726 542555337 /nfs/dbraw/zinc/55/53/37/542555337.db2.gz CKASZPAHHHGODP-WMZOPIPTSA-N 1 1 298.430 3.270 20 30 CGEDMO Cn1cc(C[N@H+](C)Cc2ccccc2Cl)cc1C#N ZINC000191175252 130197240 /nfs/dbraw/zinc/19/72/40/130197240.db2.gz AQTZVIJASYYDBT-UHFFFAOYSA-N 1 1 273.767 3.182 20 30 CGEDMO Cn1cc(C[N@@H+](C)Cc2ccccc2Cl)cc1C#N ZINC000191175252 130197243 /nfs/dbraw/zinc/19/72/43/130197243.db2.gz AQTZVIJASYYDBT-UHFFFAOYSA-N 1 1 273.767 3.182 20 30 CGEDMO CC(C)C[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000049442330 392047653 /nfs/dbraw/zinc/04/76/53/392047653.db2.gz WRANGZXCHMFCSF-UHFFFAOYSA-N 1 1 293.798 3.128 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000068838156 392168841 /nfs/dbraw/zinc/16/88/41/392168841.db2.gz AXQJJFBGJVADGL-CQSZACIVSA-N 1 1 285.391 3.009 20 30 CGEDMO C[C@H]1CCCCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000070535516 392183451 /nfs/dbraw/zinc/18/34/51/392183451.db2.gz CAINJLAOAIOCDS-AWEZNQCLSA-N 1 1 258.365 3.202 20 30 CGEDMO CCC1(C)CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000263764870 131324657 /nfs/dbraw/zinc/32/46/57/131324657.db2.gz VJEOXLHSASEDDM-UHFFFAOYSA-N 1 1 291.420 3.070 20 30 CGEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ccnc(C#N)c2)C1 ZINC000287241397 392393592 /nfs/dbraw/zinc/39/35/92/392393592.db2.gz JNEQCRDZGDOZPE-HOTGVXAUSA-N 1 1 298.434 3.044 20 30 CGEDMO C#Cc1ccc(C[NH2+][C@H](COC)c2ccc(CC)o2)cc1 ZINC000290354406 392445258 /nfs/dbraw/zinc/44/52/58/392445258.db2.gz MDQXUOTTYKVVAF-QGZVFWFLSA-N 1 1 283.371 3.301 20 30 CGEDMO C=CCOc1cccc(C[N@H+](C)C2CCC(CO)CC2)c1 ZINC000290411555 392446581 /nfs/dbraw/zinc/44/65/81/392446581.db2.gz KCIOUVUTWYWIOJ-UHFFFAOYSA-N 1 1 289.419 3.234 20 30 CGEDMO Cc1cccc2[nH]c(C[NH2+]Cc3ccc(C#N)cc3)nc21 ZINC000153635813 392524045 /nfs/dbraw/zinc/52/40/45/392524045.db2.gz OEANDSZJHVJXIE-UHFFFAOYSA-N 1 1 276.343 3.033 20 30 CGEDMO C[C@H]1C[C@H](N(C)CC#Cc2cccc(Cl)c2)CC[N@H+]1C ZINC000154297772 392535509 /nfs/dbraw/zinc/53/55/09/392535509.db2.gz NKFJILQXFUOAIX-WMLDXEAASA-N 1 1 290.838 3.106 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1nc(N)c2ccccc2n1 ZINC000150890377 392482313 /nfs/dbraw/zinc/48/23/13/392482313.db2.gz KYPOHHDCNPVMJM-UHFFFAOYSA-N 1 1 284.407 3.390 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000155978652 392545143 /nfs/dbraw/zinc/54/51/43/392545143.db2.gz UEXGGQHSDJLMJF-KBPBESRZSA-N 1 1 263.406 3.049 20 30 CGEDMO CCCCCCCCCNC(=O)c1csc(C[NH3+])n1 ZINC000178344946 392677307 /nfs/dbraw/zinc/67/73/07/392677307.db2.gz VWAQSWYNEAOYOM-UHFFFAOYSA-N 1 1 283.441 3.082 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000181246312 392724146 /nfs/dbraw/zinc/72/41/46/392724146.db2.gz QSBAHKOPJWSZPO-GFCCVEGCSA-N 1 1 280.799 3.483 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000181246312 392724152 /nfs/dbraw/zinc/72/41/52/392724152.db2.gz QSBAHKOPJWSZPO-GFCCVEGCSA-N 1 1 280.799 3.483 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000181260442 392725154 /nfs/dbraw/zinc/72/51/54/392725154.db2.gz WXRFFMLWZSZLKW-CHWSQXEVSA-N 1 1 294.826 3.414 20 30 CGEDMO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000334493786 392732274 /nfs/dbraw/zinc/73/22/74/392732274.db2.gz PMKNTKAJHQRPPW-BXUZGUMPSA-N 1 1 257.312 3.089 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)c1 ZINC000183355693 392755489 /nfs/dbraw/zinc/75/54/89/392755489.db2.gz GTWRTTSFNKTIGK-SFHVURJKSA-N 1 1 296.345 3.351 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)C2CC2)cc1Cl ZINC000179303969 392695628 /nfs/dbraw/zinc/69/56/28/392695628.db2.gz GCZLCTJMSMCYOR-UHFFFAOYSA-N 1 1 251.757 3.499 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000186161843 392778895 /nfs/dbraw/zinc/77/88/95/392778895.db2.gz CGZIJXZCEQIYLV-UHFFFAOYSA-N 1 1 275.355 3.370 20 30 CGEDMO CC1(C)C[N@@H+](Cc2cccc(C#N)c2)CC2(CCCC2)O1 ZINC000190963211 392819502 /nfs/dbraw/zinc/81/95/02/392819502.db2.gz AWNNTUOBAYXKOE-UHFFFAOYSA-N 1 1 284.403 3.482 20 30 CGEDMO Cc1csc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)n1 ZINC000335954162 392826049 /nfs/dbraw/zinc/82/60/49/392826049.db2.gz VZAPQPSGERMEAC-HNNXBMFYSA-N 1 1 283.400 3.490 20 30 CGEDMO C[C@H]1CN(c2ccccc2F)CC[N@H+]1CCCCC#N ZINC000191631465 392832642 /nfs/dbraw/zinc/83/26/42/392832642.db2.gz VMBTYGZEZSDDOW-AWEZNQCLSA-N 1 1 275.371 3.030 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000338362117 392912714 /nfs/dbraw/zinc/91/27/14/392912714.db2.gz TWUDQUMANFOYTH-STQMWFEESA-N 1 1 291.357 3.368 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000336387060 392852776 /nfs/dbraw/zinc/85/27/76/392852776.db2.gz JYZIFPSZIRKEIS-KRWDZBQOSA-N 1 1 288.366 3.088 20 30 CGEDMO N#C[C@@H]1CCC[C@@H](Nc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000193097866 392870506 /nfs/dbraw/zinc/87/05/06/392870506.db2.gz OPYTYQDPENOCLR-NVXWUHKLSA-N 1 1 299.418 3.013 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000338589630 392923092 /nfs/dbraw/zinc/92/30/92/392923092.db2.gz UHZJLEFNNWWKPS-CJNGLKHVSA-N 1 1 281.346 3.023 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000338589630 392923098 /nfs/dbraw/zinc/92/30/98/392923098.db2.gz UHZJLEFNNWWKPS-CJNGLKHVSA-N 1 1 281.346 3.023 20 30 CGEDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000525410475 392937224 /nfs/dbraw/zinc/93/72/24/392937224.db2.gz HMAGVPIKFDEGHS-OLZOCXBDSA-N 1 1 253.349 3.041 20 30 CGEDMO Cc1ccccc1[C@H]1C[C@H](C)[N@H+](CCOCCC#N)C1 ZINC000339003556 392938956 /nfs/dbraw/zinc/93/89/56/392938956.db2.gz OASOWWDVQAUTNY-HOTGVXAUSA-N 1 1 272.392 3.103 20 30 CGEDMO C=CCOCC[N@@H+]1CCSC[C@H]1c1ccc(C)cc1 ZINC000338995342 392938983 /nfs/dbraw/zinc/93/89/83/392938983.db2.gz FYEVYWWPWHXQRW-INIZCTEOSA-N 1 1 277.433 3.288 20 30 CGEDMO C=CCOCC[N@@H+]1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000339002911 392939905 /nfs/dbraw/zinc/93/99/05/392939905.db2.gz JTEWQESTZLKAQO-JKSUJKDBSA-N 1 1 259.393 3.375 20 30 CGEDMO N#CCCOCC[N@H+]1CCC[C@@H]1CCC1CCCC1 ZINC000339024556 392941966 /nfs/dbraw/zinc/94/19/66/392941966.db2.gz UHUXIPVSJGLFMH-MRXNPFEDSA-N 1 1 264.413 3.351 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@]3(C2)OCc2ccccc23)C1 ZINC000339090976 392947302 /nfs/dbraw/zinc/94/73/02/392947302.db2.gz KVLORSVQGFZGIR-HFTRVMKXSA-N 1 1 282.387 3.200 20 30 CGEDMO C=CCOCC[N@H+]1[C@H](C)Cc2cc(OC)ccc2[C@@H]1C ZINC000339080756 392946046 /nfs/dbraw/zinc/94/60/46/392946046.db2.gz NDXAXAJELONSNL-KGLIPLIRSA-N 1 1 275.392 3.205 20 30 CGEDMO CC[N@@H+](CCC1(C#N)CCCCC1)C[C@H](C)OC ZINC000411741554 392985964 /nfs/dbraw/zinc/98/59/64/392985964.db2.gz ADNJCKHXVIDIFH-AWEZNQCLSA-N 1 1 252.402 3.207 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000530962778 392988461 /nfs/dbraw/zinc/98/84/61/392988461.db2.gz UCIJEEMJLBNGHU-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H]2c2ccccn2)c1 ZINC000530962778 392988466 /nfs/dbraw/zinc/98/84/66/392988466.db2.gz UCIJEEMJLBNGHU-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000411836922 392988708 /nfs/dbraw/zinc/98/87/08/392988708.db2.gz ALZQJNHIKVSZID-HNNXBMFYSA-N 1 1 264.413 3.207 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000411976618 392993285 /nfs/dbraw/zinc/99/32/85/392993285.db2.gz DPIBNZXPACYLHH-QGZVFWFLSA-N 1 1 271.360 3.063 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000533347504 392995890 /nfs/dbraw/zinc/99/58/90/392995890.db2.gz FBDHEGOZKICZTG-KRWDZBQOSA-N 1 1 293.370 3.299 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000533347504 392995894 /nfs/dbraw/zinc/99/58/94/392995894.db2.gz FBDHEGOZKICZTG-KRWDZBQOSA-N 1 1 293.370 3.299 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000342820107 393008267 /nfs/dbraw/zinc/00/82/67/393008267.db2.gz FYCAMBXVSKSCGB-FUHWJXTLSA-N 1 1 287.403 3.395 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000342836075 393010452 /nfs/dbraw/zinc/01/04/52/393010452.db2.gz GATMSBLXIORBLE-SFHVURJKSA-N 1 1 287.403 3.254 20 30 CGEDMO C=CCN(CCc1ccco1)c1cc(C)[nH+]c(CC)n1 ZINC000342939624 393014667 /nfs/dbraw/zinc/01/46/67/393014667.db2.gz CTDOKPCVKMRSNU-UHFFFAOYSA-N 1 1 271.364 3.176 20 30 CGEDMO CN(C)c1cccc([C@@H]2CCC[N@H+]2CC2(C#N)CC2)c1 ZINC000343318194 393026784 /nfs/dbraw/zinc/02/67/84/393026784.db2.gz XFHMLXNOVCEIER-INIZCTEOSA-N 1 1 269.392 3.193 20 30 CGEDMO Cc1ccc([C@H]2CC[N@@H+](CC3(C#N)CC3)C2)c(C)c1 ZINC000348326886 393120318 /nfs/dbraw/zinc/12/03/18/393120318.db2.gz SMOBXPJFJAANOA-HNNXBMFYSA-N 1 1 254.377 3.397 20 30 CGEDMO CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000349379148 393146938 /nfs/dbraw/zinc/14/69/38/393146938.db2.gz AHGFDMOGVRRVOT-CQSZACIVSA-N 1 1 294.439 3.370 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266968358 393185261 /nfs/dbraw/zinc/18/52/61/393185261.db2.gz YULJIZGPYWYBFV-CZUORRHYSA-N 1 1 280.375 3.222 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](C)[C@H](C)c1c(F)cccc1F ZINC000351632179 393193455 /nfs/dbraw/zinc/19/34/55/393193455.db2.gz IREUERPHPWYEQJ-NEPJUHHUSA-N 1 1 269.335 3.285 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@H](C)c1c(F)cccc1F ZINC000351632179 393193463 /nfs/dbraw/zinc/19/34/63/393193463.db2.gz IREUERPHPWYEQJ-NEPJUHHUSA-N 1 1 269.335 3.285 20 30 CGEDMO CC[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccc(C#N)cc1 ZINC000278249369 393316033 /nfs/dbraw/zinc/31/60/33/393316033.db2.gz MLJMUVFINADHJX-QAPCUYQASA-N 1 1 283.419 3.083 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000355432026 393320362 /nfs/dbraw/zinc/32/03/62/393320362.db2.gz JOPNUPLXRPQPTA-HNNXBMFYSA-N 1 1 257.337 3.184 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cnc2cnccn12)Cc1ccccc1 ZINC000355227672 393269133 /nfs/dbraw/zinc/26/91/33/393269133.db2.gz UNFUCIOJSDHAQU-UHFFFAOYSA-N 1 1 292.386 3.308 20 30 CGEDMO CCCCC[N@H+](CCCOC)Cc1nc(C#N)cs1 ZINC000356406923 393437239 /nfs/dbraw/zinc/43/72/39/393437239.db2.gz GDOSROMKBUTABS-UHFFFAOYSA-N 1 1 281.425 3.043 20 30 CGEDMO CCCCC[N@@H+](CCCOC)Cc1nc(C#N)cs1 ZINC000356406923 393437242 /nfs/dbraw/zinc/43/72/42/393437242.db2.gz GDOSROMKBUTABS-UHFFFAOYSA-N 1 1 281.425 3.043 20 30 CGEDMO C[C@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000427011138 393451717 /nfs/dbraw/zinc/45/17/17/393451717.db2.gz CIXRRMSTVAOMGV-LBPRGKRZSA-N 1 1 267.294 3.399 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@H]1CC[C@H](C)C1 ZINC000429594568 393489740 /nfs/dbraw/zinc/48/97/40/393489740.db2.gz YHLLETDLWDFMID-WFASDCNBSA-N 1 1 258.365 3.187 20 30 CGEDMO Cc1cc(C[N@@H+]2CCS[C@@H](C)[C@@H]2C)ccc1C#N ZINC000488413378 393503986 /nfs/dbraw/zinc/50/39/86/393503986.db2.gz ZIYWSIODTQKDRO-STQMWFEESA-N 1 1 260.406 3.193 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](CCO)CC1 ZINC000421016193 393577510 /nfs/dbraw/zinc/57/75/10/393577510.db2.gz MFECTXRQWAFBLH-GJZGRUSLSA-N 1 1 272.392 3.104 20 30 CGEDMO N#Cc1cccc(C[NH+]2CC(c3ccccc3F)C2)c1 ZINC000361009903 393640232 /nfs/dbraw/zinc/64/02/32/393640232.db2.gz NJDJJXYFASYNSS-UHFFFAOYSA-N 1 1 266.319 3.297 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000442676824 393738613 /nfs/dbraw/zinc/73/86/13/393738613.db2.gz BLFQTALCUHPJQC-ZTFGCOKTSA-N 1 1 284.403 3.368 20 30 CGEDMO C[C@H]1CC2(CCC2)C[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000433263649 393706058 /nfs/dbraw/zinc/70/60/58/393706058.db2.gz WOKQNYVFOGJMFI-LBPRGKRZSA-N 1 1 258.340 3.462 20 30 CGEDMO Cc1cc(CNCC[N@H+](C)C2CCCCC2)ccc1C#N ZINC000443969359 393779610 /nfs/dbraw/zinc/77/96/10/393779610.db2.gz PCINBDIVVKCRQK-UHFFFAOYSA-N 1 1 285.435 3.221 20 30 CGEDMO Cc1cc(C[NH2+]CCN(C)C2CCCCC2)ccc1C#N ZINC000443969359 393779614 /nfs/dbraw/zinc/77/96/14/393779614.db2.gz PCINBDIVVKCRQK-UHFFFAOYSA-N 1 1 285.435 3.221 20 30 CGEDMO Cc1cccn2cc(C[NH2+]Cc3ccc(C#N)c(C)c3)nc12 ZINC000443994972 393781383 /nfs/dbraw/zinc/78/13/83/393781383.db2.gz GFMLDRWVIUMUJA-UHFFFAOYSA-N 1 1 290.370 3.113 20 30 CGEDMO CO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2F)C12CCC2 ZINC000449635184 393930799 /nfs/dbraw/zinc/93/07/99/393930799.db2.gz TTWNWPWIJCHZIR-HZPDHXFCSA-N 1 1 288.366 3.087 20 30 CGEDMO CCO[C@@H]1CC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C[C@@H]1C ZINC000451526756 394045659 /nfs/dbraw/zinc/04/56/59/394045659.db2.gz GXZLHXBJZHNDDU-GRDNDAEWSA-N 1 1 272.392 3.366 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](N(C)Cc2ccc(Cl)cc2C#N)C1 ZINC000452126547 394050180 /nfs/dbraw/zinc/05/01/80/394050180.db2.gz YSRFIEDLOLWDKX-MRXNPFEDSA-N 1 1 291.826 3.126 20 30 CGEDMO C=CCCCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000450689694 394033572 /nfs/dbraw/zinc/03/35/72/394033572.db2.gz FMPLFHWAESCVHY-MRXNPFEDSA-N 1 1 278.440 3.256 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(O[C@H](C)COC)cc1 ZINC000668039822 542962432 /nfs/dbraw/zinc/96/24/32/542962432.db2.gz BOAGOFMRNZZRDE-CQSZACIVSA-N 1 1 263.381 3.108 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cccc(OC)c2OC)C1 ZINC000668492583 543019905 /nfs/dbraw/zinc/01/99/05/543019905.db2.gz DCISPELXAMLPCZ-AWEZNQCLSA-N 1 1 275.392 3.492 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000668492453 543020945 /nfs/dbraw/zinc/02/09/45/543020945.db2.gz BDIUULKFTPUCML-ZDUSSCGKSA-N 1 1 261.413 3.495 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@H]3C[C@H]3C2)cc1OC ZINC000668676028 543042442 /nfs/dbraw/zinc/04/24/42/543042442.db2.gz LLLMISQXYCKMBD-GJZGRUSLSA-N 1 1 273.376 3.102 20 30 CGEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H]1CCCOC1 ZINC000671724680 543180748 /nfs/dbraw/zinc/18/07/48/543180748.db2.gz QJJYLXAJOSUKDB-INIZCTEOSA-N 1 1 277.412 3.021 20 30 CGEDMO COCC#CC[N@H+]1C[C@@H](C)CC[C@H]1c1ccccc1 ZINC000671722794 543181050 /nfs/dbraw/zinc/18/10/50/543181050.db2.gz WQOIXOPFERGYRD-RDJZCZTQSA-N 1 1 257.377 3.109 20 30 CGEDMO C=CCC[N@@H+]1CCN(Cc2ccccc2)CC[C@H]1C ZINC000673757573 543254286 /nfs/dbraw/zinc/25/42/86/543254286.db2.gz SPAWFTIRNPFXPS-MRXNPFEDSA-N 1 1 258.409 3.159 20 30 CGEDMO CCCC[N@@H+](CC)CCCOc1cccc(C#N)c1 ZINC000034674064 397606000 /nfs/dbraw/zinc/60/60/00/397606000.db2.gz DIOXFZRHFXFXAL-UHFFFAOYSA-N 1 1 260.381 3.449 20 30 CGEDMO C=CCCC(=O)NCCC[N@H+](CC)C1CCCCC1 ZINC000650374122 397831403 /nfs/dbraw/zinc/83/14/03/397831403.db2.gz RXSNBRFCIQHDNM-UHFFFAOYSA-N 1 1 266.429 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000735491006 572726421 /nfs/dbraw/zinc/72/64/21/572726421.db2.gz ZRJUCNFFQCYINH-CQSZACIVSA-N 1 1 282.428 3.284 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](CCC)Cc1ccccc1F ZINC000675493428 543344053 /nfs/dbraw/zinc/34/40/53/543344053.db2.gz IDBPBPPELUHPFX-OAHLLOKOSA-N 1 1 265.372 3.365 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](CCOC)Cc1ccc(C)cc1C ZINC000675494236 543344105 /nfs/dbraw/zinc/34/41/05/543344105.db2.gz XFVDSFQWUCYETH-GOSISDBHSA-N 1 1 291.435 3.079 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000677047480 543428065 /nfs/dbraw/zinc/42/80/65/543428065.db2.gz BYSXPYOBXCLRGU-GDBMZVCRSA-N 1 1 277.433 3.038 20 30 CGEDMO COCC#CC[N@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000677132879 543435635 /nfs/dbraw/zinc/43/56/35/543435635.db2.gz XGZSEFCNYYXFLC-CZUORRHYSA-N 1 1 273.376 3.017 20 30 CGEDMO COCC#CC[N@@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000677132879 543435638 /nfs/dbraw/zinc/43/56/38/543435638.db2.gz XGZSEFCNYYXFLC-CZUORRHYSA-N 1 1 273.376 3.017 20 30 CGEDMO COCC#CC[N@H+]1CCC[C@H]1c1cccc(C)c1C ZINC000677818340 543467548 /nfs/dbraw/zinc/46/75/48/543467548.db2.gz ZUSMELOCRGMVBH-KRWDZBQOSA-N 1 1 257.377 3.090 20 30 CGEDMO COCC#CC[N@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000677819663 543468244 /nfs/dbraw/zinc/46/82/44/543468244.db2.gz JRXXBXSZNUAGFA-CYBMUJFWSA-N 1 1 280.437 3.218 20 30 CGEDMO COCC#CC[N@@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000677819663 543468247 /nfs/dbraw/zinc/46/82/47/543468247.db2.gz JRXXBXSZNUAGFA-CYBMUJFWSA-N 1 1 280.437 3.218 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)CC(O)(CC)CC)cc1 ZINC000679017587 543583255 /nfs/dbraw/zinc/58/32/55/543583255.db2.gz FYFXJGQQZRVGLP-UHFFFAOYSA-N 1 1 277.408 3.234 20 30 CGEDMO C[C@H]1CCC[N@@H+](CCOc2cccc(C#N)c2)CC1 ZINC000070158105 165058586 /nfs/dbraw/zinc/05/85/86/165058586.db2.gz YOBVUUFETFYLSO-AWEZNQCLSA-N 1 1 258.365 3.059 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](Cc2ccccc2C#N)CCS1 ZINC000076065286 165108463 /nfs/dbraw/zinc/10/84/63/165108463.db2.gz IRBREQGFGLDGCA-HNNXBMFYSA-N 1 1 260.406 3.132 20 30 CGEDMO C[N@@H+](CCCOc1cccc(C#N)c1)CCC(F)(F)F ZINC000088420143 165194878 /nfs/dbraw/zinc/19/48/78/165194878.db2.gz CZWWKGJIAWIGLB-UHFFFAOYSA-N 1 1 286.297 3.211 20 30 CGEDMO CCCN(CC[C@@H]1CCC[N@@H+]1C)Cc1ccc(C#N)cc1 ZINC000089425266 165204951 /nfs/dbraw/zinc/20/49/51/165204951.db2.gz KHMRGWXHIFQNAE-SFHVURJKSA-N 1 1 285.435 3.255 20 30 CGEDMO CCCN(CC[C@@H]1CCC[N@H+]1C)Cc1ccc(C#N)cc1 ZINC000089425266 165204953 /nfs/dbraw/zinc/20/49/53/165204953.db2.gz KHMRGWXHIFQNAE-SFHVURJKSA-N 1 1 285.435 3.255 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@H](C)c2ccccn2)cc1C#N ZINC000091702875 165267702 /nfs/dbraw/zinc/26/77/02/165267702.db2.gz XSSYSHNGKRBUND-CYBMUJFWSA-N 1 1 281.359 3.155 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+](C)[C@H](C)c1ccncc1 ZINC000091989756 165277622 /nfs/dbraw/zinc/27/76/22/165277622.db2.gz PDCBNBHNJQDJFX-CYBMUJFWSA-N 1 1 281.359 3.155 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@H](C)c1ccncc1 ZINC000091989756 165277625 /nfs/dbraw/zinc/27/76/25/165277625.db2.gz PDCBNBHNJQDJFX-CYBMUJFWSA-N 1 1 281.359 3.155 20 30 CGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1cccs1 ZINC000007420996 170284066 /nfs/dbraw/zinc/28/40/66/170284066.db2.gz SIRAGKRHDQVYAF-GFCCVEGCSA-N 1 1 299.399 3.079 20 30 CGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1cccs1 ZINC000007420996 170284068 /nfs/dbraw/zinc/28/40/68/170284068.db2.gz SIRAGKRHDQVYAF-GFCCVEGCSA-N 1 1 299.399 3.079 20 30 CGEDMO CCC(CC)[C@@H](CNCc1ccc(C#N)cc1)[NH+](C)C ZINC000020202120 171066295 /nfs/dbraw/zinc/06/62/95/171066295.db2.gz FWLUEGQOPIRZDW-QGZVFWFLSA-N 1 1 273.424 3.014 20 30 CGEDMO CN(CCC[N@@H+](C)Cc1cccc(C#N)c1)Cc1ccco1 ZINC000285478420 196297797 /nfs/dbraw/zinc/29/77/97/196297797.db2.gz BHPASDUJEVOPIG-UHFFFAOYSA-N 1 1 297.402 3.105 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000285783577 196397560 /nfs/dbraw/zinc/39/75/60/196397560.db2.gz YXLPSYDHYZXWDE-CQSZACIVSA-N 1 1 292.386 3.142 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(F)cc(F)c1 ZINC000127974607 287300058 /nfs/dbraw/zinc/30/00/58/287300058.db2.gz DYLZQDMMTOISTP-UHFFFAOYSA-N 1 1 272.298 3.468 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cc2c(cc1OC)C[C@H](C)O2 ZINC000679359683 543628334 /nfs/dbraw/zinc/62/83/34/543628334.db2.gz MMGPQOJRHZAGCG-LBPRGKRZSA-N 1 1 261.365 3.027 20 30 CGEDMO CCC#C[C@H](C)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000681412719 543787119 /nfs/dbraw/zinc/78/71/19/543787119.db2.gz RLDQYYYZDRRBHU-AOIWGVFYSA-N 1 1 284.447 3.289 20 30 CGEDMO CCC#C[C@H](C)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000681412719 543787122 /nfs/dbraw/zinc/78/71/22/543787122.db2.gz RLDQYYYZDRRBHU-AOIWGVFYSA-N 1 1 284.447 3.289 20 30 CGEDMO CCc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)o1 ZINC000131179222 287372744 /nfs/dbraw/zinc/37/27/44/287372744.db2.gz UYOIQOCYVLJIRA-UHFFFAOYSA-N 1 1 254.333 3.346 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nn(C)c2ccccc12 ZINC000683844692 543948632 /nfs/dbraw/zinc/94/86/32/543948632.db2.gz ZDBFYMVFMLXNNJ-ZDUSSCGKSA-N 1 1 255.365 3.114 20 30 CGEDMO C=CC[N@H+](CCO[C@@H]1CC1(F)F)Cc1cccs1 ZINC000659815789 418998460 /nfs/dbraw/zinc/99/84/60/418998460.db2.gz KLIGNNDZSVEBHN-GFCCVEGCSA-N 1 1 273.348 3.160 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@@H](c2ccccc2)C2CCC2)nn1 ZINC000653578350 419053264 /nfs/dbraw/zinc/05/32/64/419053264.db2.gz GKIAPHMFIJHSCJ-SFHVURJKSA-N 1 1 296.418 3.485 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CCCC[C@@H]2CC(C)C)nn1 ZINC000653584626 419055148 /nfs/dbraw/zinc/05/51/48/419055148.db2.gz CVTVDLHJUIOMCE-MRXNPFEDSA-N 1 1 276.428 3.255 20 30 CGEDMO C=CC[C@@H]1[N@@H+](C[C@H](OC)[C@@H]2CCOC2)CCCC1(C)C ZINC000660423762 419141669 /nfs/dbraw/zinc/14/16/69/419141669.db2.gz VWVDIBKQOIGLTP-PMPSAXMXSA-N 1 1 281.440 3.105 20 30 CGEDMO CC(=O)c1ccc(C#N)c(N[C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000656224825 419154809 /nfs/dbraw/zinc/15/48/09/419154809.db2.gz AAZPTFLNKJGCNK-FUHWJXTLSA-N 1 1 297.402 3.190 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(C)c(OC)c1)[C@H](C)COC ZINC000661239301 419243804 /nfs/dbraw/zinc/24/38/04/419243804.db2.gz DZRSNPKQQOQJKG-CQSZACIVSA-N 1 1 263.381 3.027 20 30 CGEDMO C=CC[N@H+](CCc1ccc(F)c(F)c1)[C@H](C)COC ZINC000661244718 419244255 /nfs/dbraw/zinc/24/42/55/419244255.db2.gz XQYJRZFKTCIDHI-GFCCVEGCSA-N 1 1 269.335 3.030 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](CC(=O)N[C@H](C)c2cccs2)C1 ZINC000661377964 419256148 /nfs/dbraw/zinc/25/61/48/419256148.db2.gz XYWYQOMVLOQDBB-KGLIPLIRSA-N 1 1 292.448 3.213 20 30 CGEDMO C[C@@H](CO)[C@@H]1CCCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000661440548 419261694 /nfs/dbraw/zinc/26/16/94/419261694.db2.gz DNNPQQMHULHZAH-YOEHRIQHSA-N 1 1 291.822 3.174 20 30 CGEDMO C[C@@]12COC[C@]1(C)C[N@@H+](CC#Cc1ccccc1Cl)C2 ZINC000661490499 419265322 /nfs/dbraw/zinc/26/53/22/419265322.db2.gz MRZBNZDXXRNPND-CALCHBBNSA-N 1 1 289.806 3.050 20 30 CGEDMO C[C@@]12COC[C@]1(C)C[N@H+](CC#Cc1ccccc1Cl)C2 ZINC000661490499 419265323 /nfs/dbraw/zinc/26/53/23/419265323.db2.gz MRZBNZDXXRNPND-CALCHBBNSA-N 1 1 289.806 3.050 20 30 CGEDMO C[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)[C@H]1CCO ZINC000661493085 419266243 /nfs/dbraw/zinc/26/62/43/419266243.db2.gz NJFHFZVBYPJVRQ-YOEHRIQHSA-N 1 1 291.822 3.174 20 30 CGEDMO C=CC[N@@H+](C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000661635839 419281437 /nfs/dbraw/zinc/28/14/37/419281437.db2.gz BKDORYNUOHYUSC-NSHDSACASA-N 1 1 260.164 3.145 20 30 CGEDMO C=CC[N@H+](C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000661635839 419281440 /nfs/dbraw/zinc/28/14/40/419281440.db2.gz BKDORYNUOHYUSC-NSHDSACASA-N 1 1 260.164 3.145 20 30 CGEDMO CC#CCC[N@@H+]1CC[C@](C)(c2cccc(OC)c2)C1 ZINC000661712400 419290442 /nfs/dbraw/zinc/29/04/42/419290442.db2.gz QSQHAOORUMLEMQ-KRWDZBQOSA-N 1 1 257.377 3.072 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccccc1CC ZINC000662077589 419332499 /nfs/dbraw/zinc/33/24/99/419332499.db2.gz CQUDRGVWCCDCHM-IYBDPMFKSA-N 1 1 284.403 3.371 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000662084885 419334069 /nfs/dbraw/zinc/33/40/69/419334069.db2.gz XXBCAUATZIEWQD-WCXIOVBPSA-N 1 1 290.451 3.207 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(C2CCCC2)no1 ZINC000662087953 419334162 /nfs/dbraw/zinc/33/41/62/419334162.db2.gz QZBLVDMEQJNPGP-OKILXGFUSA-N 1 1 273.380 3.410 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(C2CCCC2)no1 ZINC000662087953 419334165 /nfs/dbraw/zinc/33/41/65/419334165.db2.gz QZBLVDMEQJNPGP-OKILXGFUSA-N 1 1 273.380 3.410 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2ccccc2n(C)c1=O ZINC000662090335 419334757 /nfs/dbraw/zinc/33/47/57/419334757.db2.gz NHLBHZISDAYCNO-CALCHBBNSA-N 1 1 294.398 3.222 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000662084881 419335031 /nfs/dbraw/zinc/33/50/31/419335031.db2.gz XXBCAUATZIEWQD-MWDXBVQZSA-N 1 1 290.451 3.207 20 30 CGEDMO C[C@@]12CC[N@@H+](Cc3ccc(CC#N)cc3)C[C@@H]1C2(F)F ZINC000336115765 228190037 /nfs/dbraw/zinc/19/00/37/228190037.db2.gz YYGMKWCFVRQMMZ-LSDHHAIUSA-N 1 1 276.330 3.230 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000662229121 419365707 /nfs/dbraw/zinc/36/57/07/419365707.db2.gz PLIMYFGKQMQNAO-RYUDHWBXSA-N 1 1 265.319 3.384 20 30 CGEDMO C=CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000658113776 419587704 /nfs/dbraw/zinc/58/77/04/419587704.db2.gz JBQWBEHTLCEETF-NNZMDNLPSA-N 1 1 270.420 3.348 20 30 CGEDMO C=CCCC[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000117871964 260117163 /nfs/dbraw/zinc/11/71/63/260117163.db2.gz YCUAQOSECQNJHA-UHFFFAOYSA-N 1 1 283.419 3.032 20 30 CGEDMO COc1cccc(C2=CC[N@@H+](CCCC#N)CC2)c1 ZINC000363378372 260146863 /nfs/dbraw/zinc/14/68/63/260146863.db2.gz VUSWLWCQTGANOJ-UHFFFAOYSA-N 1 1 256.349 3.088 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)[C@@H](C)c1nnc(C)o1 ZINC000298321682 260150399 /nfs/dbraw/zinc/15/03/99/260150399.db2.gz ZFFJFAWORQONLC-ZDUSSCGKSA-N 1 1 271.364 3.170 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)[C@@H](C)c1nnc(C)o1 ZINC000298321682 260150400 /nfs/dbraw/zinc/15/04/00/260150400.db2.gz ZFFJFAWORQONLC-ZDUSSCGKSA-N 1 1 271.364 3.170 20 30 CGEDMO NC(=[NH+]OCc1coc(-c2cccs2)n1)C1CCCC1 ZINC000048610111 260201577 /nfs/dbraw/zinc/20/15/77/260201577.db2.gz SSPRQXNKTOTZKE-UHFFFAOYSA-N 1 1 291.376 3.382 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)CCC(=O)Nc1ccccc1 ZINC000072692044 260277504 /nfs/dbraw/zinc/27/75/04/260277504.db2.gz RMLIJPKBHPVWLV-UHFFFAOYSA-N 1 1 287.407 3.277 20 30 CGEDMO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(F)c(F)c1 ZINC000121012182 260706774 /nfs/dbraw/zinc/70/67/74/260706774.db2.gz PFXDECIEHANAPF-QWRGUYRKSA-N 1 1 263.291 3.059 20 30 CGEDMO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2CCCC#N)c1 ZINC000360464443 261064513 /nfs/dbraw/zinc/06/45/13/261064513.db2.gz CEAGBUAIQIMSCS-CZUORRHYSA-N 1 1 258.365 3.382 20 30 CGEDMO C=CCCC[N@@H+](C)Cc1nc(CCc2ccccc2)no1 ZINC000173772910 261171225 /nfs/dbraw/zinc/17/12/25/261171225.db2.gz ROPZNGQPMCWWIG-UHFFFAOYSA-N 1 1 285.391 3.253 20 30 CGEDMO C=CCCC[N@H+](C)Cc1nc(CCc2ccccc2)no1 ZINC000173772910 261171227 /nfs/dbraw/zinc/17/12/27/261171227.db2.gz ROPZNGQPMCWWIG-UHFFFAOYSA-N 1 1 285.391 3.253 20 30 CGEDMO C[C@H](CC#N)[N@H+](C)CCC(=O)Nc1cccc2ccccc21 ZINC000161930793 261263571 /nfs/dbraw/zinc/26/35/71/261263571.db2.gz VPDKRARVGPPMDH-CQSZACIVSA-N 1 1 295.386 3.402 20 30 CGEDMO C[C@H](CC#N)[N@@H+](C)CCC(=O)Nc1cccc2ccccc21 ZINC000161930793 261263573 /nfs/dbraw/zinc/26/35/73/261263573.db2.gz VPDKRARVGPPMDH-CQSZACIVSA-N 1 1 295.386 3.402 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1c[nH]nc1-c1c(F)cccc1F ZINC000184082010 262007371 /nfs/dbraw/zinc/00/73/71/262007371.db2.gz DWCANYGFYVNNFS-NSHDSACASA-N 1 1 290.317 3.137 20 30 CGEDMO CC[C@H](CC#N)N[C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000184088956 262008250 /nfs/dbraw/zinc/00/82/50/262008250.db2.gz DVBORSGEXKXQMJ-RDGPPVDQSA-N 1 1 297.446 3.179 20 30 CGEDMO C[N@@H+](CCSCCCSCC#N)Cc1ccccc1 ZINC000193617812 262225033 /nfs/dbraw/zinc/22/50/33/262225033.db2.gz HBZJJJVNORPJKN-UHFFFAOYSA-N 1 1 294.489 3.498 20 30 CGEDMO COc1cc(Cl)ccc1C[NH+]1CCC(C)(C#N)CC1 ZINC000336086247 262238866 /nfs/dbraw/zinc/23/88/66/262238866.db2.gz LDXWLRCIHXUBEV-UHFFFAOYSA-N 1 1 278.783 3.474 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000121042704 262266872 /nfs/dbraw/zinc/26/68/72/262266872.db2.gz RMTXWANDTXYGIV-CQSZACIVSA-N 1 1 292.398 3.243 20 30 CGEDMO C=CC[N@H+](CC1CCCCC1)[C@@H](C)c1nnnn1C1CC1 ZINC000411252738 262685780 /nfs/dbraw/zinc/68/57/80/262685780.db2.gz CFLUXAVZCIDONC-ZDUSSCGKSA-N 1 1 289.427 3.137 20 30 CGEDMO C=CC[N@@H+](CC1CCCCC1)[C@@H](C)c1nnnn1C1CC1 ZINC000411252738 262685781 /nfs/dbraw/zinc/68/57/81/262685781.db2.gz CFLUXAVZCIDONC-ZDUSSCGKSA-N 1 1 289.427 3.137 20 30 CGEDMO Cc1cc(C[N@@H+](C)C[C@H](C)C#N)cc(C)c1OC(F)F ZINC000271120268 262992974 /nfs/dbraw/zinc/99/29/74/262992974.db2.gz HIQKWPKCVNEJID-SNVBAGLBSA-N 1 1 282.334 3.496 20 30 CGEDMO Cc1cc(C[N@H+](C)C[C@H](C)C#N)cc(C)c1OC(F)F ZINC000271120268 262992975 /nfs/dbraw/zinc/99/29/75/262992975.db2.gz HIQKWPKCVNEJID-SNVBAGLBSA-N 1 1 282.334 3.496 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000271996848 263001085 /nfs/dbraw/zinc/00/10/85/263001085.db2.gz GEFBWQASZLYUMY-HNNXBMFYSA-N 1 1 296.418 3.441 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1c(C)nn(C(C)(C)C)c1C ZINC000273812295 263019528 /nfs/dbraw/zinc/01/95/28/263019528.db2.gz BDBLKDWSXXACFO-CYBMUJFWSA-N 1 1 262.401 3.037 20 30 CGEDMO CC[N@H+](Cc1c(F)cccc1F)[C@@H](C)CCC#N ZINC000276273638 263035658 /nfs/dbraw/zinc/03/56/58/263035658.db2.gz DGMLNZDJWFXVTL-NSHDSACASA-N 1 1 252.308 3.479 20 30 CGEDMO CC[N@@H+](Cc1c(F)cccc1F)[C@@H](C)CCC#N ZINC000276273638 263035659 /nfs/dbraw/zinc/03/56/59/263035659.db2.gz DGMLNZDJWFXVTL-NSHDSACASA-N 1 1 252.308 3.479 20 30 CGEDMO CC(C)c1[nH+]ccn1CCCC1(C#N)CCOCC1 ZINC000280965312 263065449 /nfs/dbraw/zinc/06/54/49/263065449.db2.gz KMBAGTQAAGZZLA-UHFFFAOYSA-N 1 1 261.369 3.107 20 30 CGEDMO Cn1nccc1[C@H]1CCCC[N@H+]1CCCC(C)(C)C#N ZINC000281508184 263069611 /nfs/dbraw/zinc/06/96/11/263069611.db2.gz UWADSUGNCGPMDP-OAHLLOKOSA-N 1 1 274.412 3.277 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cc(C)cc(Cl)c1 ZINC000353199655 263082516 /nfs/dbraw/zinc/08/25/16/263082516.db2.gz KLVZZPUQEZRJBK-UHFFFAOYSA-N 1 1 253.773 3.283 20 30 CGEDMO CN1CC[N@@H+](CCCC(C)(C)C#N)C[C@H]1Cc1ccccc1 ZINC000284797325 263087831 /nfs/dbraw/zinc/08/78/31/263087831.db2.gz PEDWCXLRHSDVTR-GOSISDBHSA-N 1 1 299.462 3.175 20 30 CGEDMO C[N@@H+]1CCN(CCCC(C)(C)C#N)C[C@H]1Cc1ccccc1 ZINC000284797325 263087832 /nfs/dbraw/zinc/08/78/32/263087832.db2.gz PEDWCXLRHSDVTR-GOSISDBHSA-N 1 1 299.462 3.175 20 30 CGEDMO C[N@H+]1CCN(CCCC(C)(C)C#N)C[C@H]1Cc1ccccc1 ZINC000284797325 263087833 /nfs/dbraw/zinc/08/78/33/263087833.db2.gz PEDWCXLRHSDVTR-GOSISDBHSA-N 1 1 299.462 3.175 20 30 CGEDMO C[C@@H](Cc1ccccc1C(F)(F)F)[N@H+](C)CCC#N ZINC000287180344 263101129 /nfs/dbraw/zinc/10/11/29/263101129.db2.gz CMIHGQOHXXSOSV-NSHDSACASA-N 1 1 270.298 3.482 20 30 CGEDMO C[C@@H](Cc1ccccc1C(F)(F)F)[N@@H+](C)CCC#N ZINC000287180344 263101130 /nfs/dbraw/zinc/10/11/30/263101130.db2.gz CMIHGQOHXXSOSV-NSHDSACASA-N 1 1 270.298 3.482 20 30 CGEDMO Cc1cnn([C@H]2CC[N@@H+](CCCCC(C)(C)C#N)C2)c1 ZINC000290097697 263114697 /nfs/dbraw/zinc/11/46/97/263114697.db2.gz ZYYNOAYSBVXXNJ-HNNXBMFYSA-N 1 1 274.412 3.158 20 30 CGEDMO C[C@H](c1nc2ccccc2s1)[N@H+](C)CCOCCC#N ZINC000292677687 263133594 /nfs/dbraw/zinc/13/35/94/263133594.db2.gz BPKARZUXHIWAFB-GFCCVEGCSA-N 1 1 289.404 3.219 20 30 CGEDMO C[C@H](c1nc2ccccc2s1)[N@@H+](C)CCOCCC#N ZINC000292677687 263133595 /nfs/dbraw/zinc/13/35/95/263133595.db2.gz BPKARZUXHIWAFB-GFCCVEGCSA-N 1 1 289.404 3.219 20 30 CGEDMO Cn1cccc1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000367472112 263135999 /nfs/dbraw/zinc/13/59/99/263135999.db2.gz CXZVIZAVJOYKGT-QZTJIDSGSA-N 1 1 279.387 3.297 20 30 CGEDMO Cn1cccc1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000367472112 263136000 /nfs/dbraw/zinc/13/60/00/263136000.db2.gz CXZVIZAVJOYKGT-QZTJIDSGSA-N 1 1 279.387 3.297 20 30 CGEDMO N#CCCOCC[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000293592321 263143935 /nfs/dbraw/zinc/14/39/35/263143935.db2.gz UOAICRFKJOZYBT-HNNXBMFYSA-N 1 1 278.783 3.407 20 30 CGEDMO CC1=C(Br)C[N@@H+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000293974672 263153573 /nfs/dbraw/zinc/15/35/73/263153573.db2.gz DGUGGDUPGLHCQG-MNOVXSKESA-N 1 1 269.186 3.053 20 30 CGEDMO CC1=C(Br)C[N@H+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000293974672 263153574 /nfs/dbraw/zinc/15/35/74/263153574.db2.gz DGUGGDUPGLHCQG-MNOVXSKESA-N 1 1 269.186 3.053 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000298044879 263213971 /nfs/dbraw/zinc/21/39/71/263213971.db2.gz DEOSNNQTFXTTPB-ZBFHGGJFSA-N 1 1 257.381 3.255 20 30 CGEDMO CC[N@@H+](Cc1ccc(OC)cc1OC)[C@H](C)CCC#N ZINC000298140894 263215699 /nfs/dbraw/zinc/21/56/99/263215699.db2.gz ODPZRYCNDJDQAR-CYBMUJFWSA-N 1 1 276.380 3.218 20 30 CGEDMO Cc1cccc(C[N@@H+](C)CCCSCC#N)c1C ZINC000298208018 263216185 /nfs/dbraw/zinc/21/61/85/263216185.db2.gz DELSQEPGQHWMDA-UHFFFAOYSA-N 1 1 262.422 3.382 20 30 CGEDMO CC(C)([NH2+]CCC#N)c1ccc(OC(F)(F)F)cc1 ZINC000298419273 263219372 /nfs/dbraw/zinc/21/93/72/263219372.db2.gz FWITYYBQABFMLZ-UHFFFAOYSA-N 1 1 272.270 3.324 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000298553574 263221907 /nfs/dbraw/zinc/22/19/07/263221907.db2.gz YWZSLVWQGQGSBZ-DOMZBBRYSA-N 1 1 278.783 3.485 20 30 CGEDMO CCOc1ccc([C@H](C)[NH2+]CCC#N)cc1OCC ZINC000298656661 263223703 /nfs/dbraw/zinc/22/37/03/263223703.db2.gz BSLNGKXXQAPBAY-LBPRGKRZSA-N 1 1 262.353 3.048 20 30 CGEDMO COc1ccccc1[C@@H]1CC[N@H+]([C@@H](C)CCC#N)C1 ZINC000299277010 263237396 /nfs/dbraw/zinc/23/73/96/263237396.db2.gz MSCWVLPCAPIOIG-UONOGXRCSA-N 1 1 258.365 3.177 20 30 CGEDMO C=C(C)C[N@@H+](CC)[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000120121922 263281216 /nfs/dbraw/zinc/28/12/16/263281216.db2.gz MWNNTCUWSBWSRZ-CYBMUJFWSA-N 1 1 288.391 3.114 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000120121922 263281217 /nfs/dbraw/zinc/28/12/17/263281217.db2.gz MWNNTCUWSBWSRZ-CYBMUJFWSA-N 1 1 288.391 3.114 20 30 CGEDMO C=CCCC[N@H+]1CCc2c(ccc(OC)c2OC)C1 ZINC000340989243 263315335 /nfs/dbraw/zinc/31/53/35/263315335.db2.gz DFCMQGDYHYXCDT-UHFFFAOYSA-N 1 1 261.365 3.028 20 30 CGEDMO COCC1(C#N)CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000341975711 263368861 /nfs/dbraw/zinc/36/88/61/263368861.db2.gz JYUKGCLZQLTFPM-UHFFFAOYSA-N 1 1 278.783 3.092 20 30 CGEDMO C=C1CC[NH+](CC(=O)N(C)[C@@H]2CCCc3ccccc32)CC1 ZINC000341986078 263381045 /nfs/dbraw/zinc/38/10/45/263381045.db2.gz UEPWRXBBISFMQI-GOSISDBHSA-N 1 1 298.430 3.174 20 30 CGEDMO CC(C)c1nnc([C@@H]2CCCC[N@@H+]2CCCCC#N)[nH]1 ZINC000330874460 264059890 /nfs/dbraw/zinc/05/98/90/264059890.db2.gz ZFIHCTGUSCUFSK-ZDUSSCGKSA-N 1 1 275.400 3.149 20 30 CGEDMO CC(C)c1nnc([C@@H]2CCCC[N@H+]2CCCCC#N)[nH]1 ZINC000330874460 264059891 /nfs/dbraw/zinc/05/98/91/264059891.db2.gz ZFIHCTGUSCUFSK-ZDUSSCGKSA-N 1 1 275.400 3.149 20 30 CGEDMO CC(C)c1nnc([C@H]2CCCC[N@@H+]2CCCCC#N)[nH]1 ZINC000330874459 264060238 /nfs/dbraw/zinc/06/02/38/264060238.db2.gz ZFIHCTGUSCUFSK-CYBMUJFWSA-N 1 1 275.400 3.149 20 30 CGEDMO CC(C)c1nnc([C@H]2CCCC[N@H+]2CCCCC#N)[nH]1 ZINC000330874459 264060240 /nfs/dbraw/zinc/06/02/40/264060240.db2.gz ZFIHCTGUSCUFSK-CYBMUJFWSA-N 1 1 275.400 3.149 20 30 CGEDMO C=C[C@H](CC(=O)NCC[N@H+](C)[C@H](C)CC)c1ccccc1 ZINC000127134429 264244578 /nfs/dbraw/zinc/24/45/78/264244578.db2.gz CASUOCCDUNQTCP-HZPDHXFCSA-N 1 1 288.435 3.193 20 30 CGEDMO C=CCOc1ccccc1CN[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000161498768 264285824 /nfs/dbraw/zinc/28/58/24/264285824.db2.gz QTSXYPRWUFRFSS-WBVHZDCISA-N 1 1 288.435 3.071 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)Nc1ccc(OC(F)F)cc1 ZINC000076738044 264342739 /nfs/dbraw/zinc/34/27/39/264342739.db2.gz LRGPHNZGRZKNOS-UHFFFAOYSA-N 1 1 298.333 3.125 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1cc(F)ccc1C ZINC000076735946 264342760 /nfs/dbraw/zinc/34/27/60/264342760.db2.gz SHRZJVGQNOJCTO-CYBMUJFWSA-N 1 1 278.371 3.359 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000335103224 265094249 /nfs/dbraw/zinc/09/42/49/265094249.db2.gz LZBABTVYSXHVHK-GDBMZVCRSA-N 1 1 290.451 3.064 20 30 CGEDMO N#Cc1c(Cl)cccc1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000107830123 270050446 /nfs/dbraw/zinc/05/04/46/270050446.db2.gz HIWONBPOLOPFNK-NWDGAFQWSA-N 1 1 275.783 3.250 20 30 CGEDMO COCC1(C#N)CC[NH+](Cc2ccc(SC)s2)CC1 ZINC000356279168 266085390 /nfs/dbraw/zinc/08/53/90/266085390.db2.gz KQKVAXJCNMJBRU-UHFFFAOYSA-N 1 1 296.461 3.222 20 30 CGEDMO C[C@@H]1CCC[C@@H](C)[N@@H+](CCOc2ccccc2C#N)C1 ZINC000525127854 270117110 /nfs/dbraw/zinc/11/71/10/270117110.db2.gz QEQJHUGADFJCCF-HUUCEWRRSA-N 1 1 272.392 3.448 20 30 CGEDMO C=CC[N@@H+](CCC(=O)N[C@H]1CCCc2ccccc21)C1CC1 ZINC000357524082 266315668 /nfs/dbraw/zinc/31/56/68/266315668.db2.gz AOQPLPONDLKQGJ-SFHVURJKSA-N 1 1 298.430 3.221 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc2ncsc2c1 ZINC000362572375 267009621 /nfs/dbraw/zinc/00/96/21/267009621.db2.gz HQIXAOVMARNONP-SNVBAGLBSA-N 1 1 257.362 3.251 20 30 CGEDMO CCCCC[C@@H]1CCC[N@H+]1CC(=O)N(CC)C[C@@H](C)C#N ZINC000362943355 267064587 /nfs/dbraw/zinc/06/45/87/267064587.db2.gz XYVMDZKLOIVHDU-JKSUJKDBSA-N 1 1 293.455 3.039 20 30 CGEDMO CS[C@@H]1CCCC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000369047612 267219768 /nfs/dbraw/zinc/21/97/68/267219768.db2.gz KVJOSNRXLGWQBJ-OAHLLOKOSA-N 1 1 296.480 3.304 20 30 CGEDMO COc1ccccc1[C@H]1CC[C@H](C)C[N@@H+]1CCC#N ZINC000370541838 267328137 /nfs/dbraw/zinc/32/81/37/267328137.db2.gz KSIAYVQZTDWWRE-DZGCQCFKSA-N 1 1 258.365 3.382 20 30 CGEDMO COc1ccccc1[C@H]1CC[C@H](C)C[N@H+]1CCC#N ZINC000370541838 267328140 /nfs/dbraw/zinc/32/81/40/267328140.db2.gz KSIAYVQZTDWWRE-DZGCQCFKSA-N 1 1 258.365 3.382 20 30 CGEDMO C#CCC[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000371182895 267361282 /nfs/dbraw/zinc/36/12/82/267361282.db2.gz GNSVOGHYIPGWMZ-UHFFFAOYSA-N 1 1 299.393 3.114 20 30 CGEDMO CCCOc1cc(C[NH2+]CC2(C#N)CCC2)ccc1OC ZINC000418143545 267365547 /nfs/dbraw/zinc/36/55/47/267365547.db2.gz QENAROWYDHBVMZ-UHFFFAOYSA-N 1 1 288.391 3.267 20 30 CGEDMO Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CC1(C#N)CCC1 ZINC000418144902 267366257 /nfs/dbraw/zinc/36/62/57/267366257.db2.gz VPPOANMHGNIYJP-UHFFFAOYSA-N 1 1 274.412 3.038 20 30 CGEDMO N#CC1(C[NH2+]Cc2csc(Br)c2)CCC1 ZINC000418135621 267367366 /nfs/dbraw/zinc/36/73/66/267367366.db2.gz BEBJABBLFVHEPZ-UHFFFAOYSA-N 1 1 285.210 3.294 20 30 CGEDMO C=CC[N@@H+](CCc1ccncc1)Cc1cccs1 ZINC000120113294 267381879 /nfs/dbraw/zinc/38/18/79/267381879.db2.gz IDGAVOWIUYIWGU-UHFFFAOYSA-N 1 1 258.390 3.374 20 30 CGEDMO Cc1cc([C@@H]2CCC[N@H+]2CC(C)(C)CCC#N)no1 ZINC000371395227 267399050 /nfs/dbraw/zinc/39/90/50/267399050.db2.gz FDNMTKLISQKKTA-AWEZNQCLSA-N 1 1 261.369 3.450 20 30 CGEDMO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000528761479 270171676 /nfs/dbraw/zinc/17/16/76/270171676.db2.gz GAGHCHKHUSVFKU-LLVKDONJSA-N 1 1 250.292 3.178 20 30 CGEDMO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000372180544 267524786 /nfs/dbraw/zinc/52/47/86/267524786.db2.gz NOWIBOKSHMDVJO-GOSISDBHSA-N 1 1 297.377 3.056 20 30 CGEDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000372180544 267524789 /nfs/dbraw/zinc/52/47/89/267524789.db2.gz NOWIBOKSHMDVJO-GOSISDBHSA-N 1 1 297.377 3.056 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](Cc1ccco1)C1CCCC1 ZINC000123188752 268005692 /nfs/dbraw/zinc/00/56/92/268005692.db2.gz IQRHZOOVUGHBBA-OAHLLOKOSA-N 1 1 263.381 3.351 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCCC2(CCC2)C1 ZINC000459447257 268289582 /nfs/dbraw/zinc/28/95/82/268289582.db2.gz UPZXXYNSAMNFCP-UHFFFAOYSA-N 1 1 285.347 3.233 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCCC2(CCC2)C1 ZINC000459447257 268289584 /nfs/dbraw/zinc/28/95/84/268289584.db2.gz UPZXXYNSAMNFCP-UHFFFAOYSA-N 1 1 285.347 3.233 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000459493202 268290963 /nfs/dbraw/zinc/29/09/63/268290963.db2.gz YNOHGICGTVXFKE-ZDUSSCGKSA-N 1 1 285.347 3.088 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000459493202 268290965 /nfs/dbraw/zinc/29/09/65/268290965.db2.gz YNOHGICGTVXFKE-ZDUSSCGKSA-N 1 1 285.347 3.088 20 30 CGEDMO C[C@@H]1CCC[C@H](C)[N@H+]1CCN[C@H]1CCc2ccc(C#N)cc21 ZINC000353411061 274296058 /nfs/dbraw/zinc/29/60/58/274296058.db2.gz JIPVIMVTJUHTSD-KHYOSLBOSA-N 1 1 297.446 3.398 20 30 CGEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCN[C@H]1CCc2ccc(C#N)cc21 ZINC000353411061 274296061 /nfs/dbraw/zinc/29/60/61/274296061.db2.gz JIPVIMVTJUHTSD-KHYOSLBOSA-N 1 1 297.446 3.398 20 30 CGEDMO CCC[N@H+](Cc1ccc(F)cc1C#N)C[C@@H]1CCCCO1 ZINC000106866637 276002109 /nfs/dbraw/zinc/00/21/09/276002109.db2.gz OYNPMOCUCHJIRP-KRWDZBQOSA-N 1 1 290.382 3.478 20 30 CGEDMO C[N@H+]1CCC[C@@H]2CN(c3ccc(C#N)c(Cl)c3)CC[C@H]21 ZINC000227335443 277069890 /nfs/dbraw/zinc/06/98/90/277069890.db2.gz GPIBVLDORYSOLE-CZUORRHYSA-N 1 1 289.810 3.132 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000335304453 277121657 /nfs/dbraw/zinc/12/16/57/277121657.db2.gz GGBQJTQLEFKVHC-AEFFLSMTSA-N 1 1 298.430 3.489 20 30 CGEDMO CC(C)c1scnc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000329406924 278117265 /nfs/dbraw/zinc/11/72/65/278117265.db2.gz CFVLLWLMZUFHON-GHMZBOCLSA-N 1 1 296.440 3.075 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000341991568 278309881 /nfs/dbraw/zinc/30/98/81/278309881.db2.gz OLGNYYYRGAAMAZ-PBHICJAKSA-N 1 1 270.376 3.122 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292926765 278310154 /nfs/dbraw/zinc/31/01/54/278310154.db2.gz IQZFEWCVGDUSDO-CRAIPNDOSA-N 1 1 283.419 3.037 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000292926765 278310155 /nfs/dbraw/zinc/31/01/55/278310155.db2.gz IQZFEWCVGDUSDO-CRAIPNDOSA-N 1 1 283.419 3.037 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000292926765 278310156 /nfs/dbraw/zinc/31/01/56/278310156.db2.gz IQZFEWCVGDUSDO-CRAIPNDOSA-N 1 1 283.419 3.037 20 30 CGEDMO C[C@@H](NC[C@H](C)[NH+]1CCCCC1)c1ccc(C#N)cc1 ZINC000038028470 278353242 /nfs/dbraw/zinc/35/32/42/278353242.db2.gz DCHPXQDIQLSCTQ-LSDHHAIUSA-N 1 1 271.408 3.083 20 30 CGEDMO C[C@@H](O)C[N@@H+](Cc1ccccc1C#N)C1CCCCC1 ZINC000339127908 278394740 /nfs/dbraw/zinc/39/47/40/278394740.db2.gz KVHXIXQHOOULSY-CQSZACIVSA-N 1 1 272.392 3.074 20 30 CGEDMO C[C@]12CC[N@H+](CC#Cc3ccc(F)cc3)C[C@H]1C2(F)F ZINC000336114862 280177005 /nfs/dbraw/zinc/17/70/05/280177005.db2.gz GZJIZENPHRVNAV-CABCVRRESA-N 1 1 279.305 3.154 20 30 CGEDMO C[C@]12CC[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]1C2(F)F ZINC000336114862 280177006 /nfs/dbraw/zinc/17/70/06/280177006.db2.gz GZJIZENPHRVNAV-CABCVRRESA-N 1 1 279.305 3.154 20 30 CGEDMO N#Cc1ccc(O[C@H]2CC[N@H+]([C@@H]3C=CCCCCC3)C2)nc1 ZINC000550105615 289066922 /nfs/dbraw/zinc/06/69/22/289066922.db2.gz NZUJKWCJIFVXHL-SJORKVTESA-N 1 1 297.402 3.295 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000334218777 290221208 /nfs/dbraw/zinc/22/12/08/290221208.db2.gz UAINVIOPNVLCFG-KDOFPFPSSA-N 1 1 284.403 3.368 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCSC2(CCCCC2)C1 ZINC000351471883 298365463 /nfs/dbraw/zinc/36/54/63/298365463.db2.gz MNOGUZYDHIBMKE-CYBMUJFWSA-N 1 1 252.427 3.430 20 30 CGEDMO C[C@H]1CN(c2cccc(F)c2C#N)CC[N@H+](C2CCC2)C1 ZINC000292443544 300298591 /nfs/dbraw/zinc/29/85/91/300298591.db2.gz YMCRDXGHAKBYKX-CYBMUJFWSA-N 1 1 287.382 3.008 20 30 CGEDMO C=CCCCCCNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000567121302 328054494 /nfs/dbraw/zinc/05/44/94/328054494.db2.gz ANPIGHMIIVLREO-INIZCTEOSA-N 1 1 295.471 3.249 20 30 CGEDMO C[C@H](C#N)C[N@H+](C[C@@H]1CCC2(CCCC2)O1)C1CC1 ZINC000571107536 328086198 /nfs/dbraw/zinc/08/61/98/328086198.db2.gz KUJKPKRKTADRIR-HIFRSBDPSA-N 1 1 262.397 3.102 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C[C@@H]1CCC2(CCCC2)O1)C1CC1 ZINC000571107536 328086199 /nfs/dbraw/zinc/08/61/99/328086199.db2.gz KUJKPKRKTADRIR-HIFRSBDPSA-N 1 1 262.397 3.102 20 30 CGEDMO Cc1ccccc1[C@@H]1CC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000264883148 328162550 /nfs/dbraw/zinc/16/25/50/328162550.db2.gz RMRLOPJIQDUTPG-HZPDHXFCSA-N 1 1 267.376 3.228 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+](C(C)C)C2CC2)c1C ZINC000177555295 329185613 /nfs/dbraw/zinc/18/56/13/329185613.db2.gz HSIAKFUFRGBXJI-UHFFFAOYSA-N 1 1 274.408 3.346 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@H+](C(C)C)C2CC2)c1C ZINC000177555295 329185614 /nfs/dbraw/zinc/18/56/14/329185614.db2.gz HSIAKFUFRGBXJI-UHFFFAOYSA-N 1 1 274.408 3.346 20 30 CGEDMO N#CCCOCC[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000292742013 328273265 /nfs/dbraw/zinc/27/32/65/328273265.db2.gz HJJCGOTWRLFWGN-MRXNPFEDSA-N 1 1 276.355 3.283 20 30 CGEDMO Cc1ccccc1[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000292991778 328274388 /nfs/dbraw/zinc/27/43/88/328274388.db2.gz GCLGFMXBMWBMFQ-BZUAXINKSA-N 1 1 254.377 3.477 20 30 CGEDMO CC1(C)C[N@H+]([C@H]2CC[C@H](C#N)C2)CCN1Cc1ccccc1 ZINC000293158144 328274525 /nfs/dbraw/zinc/27/45/25/328274525.db2.gz RIVLKMJXWOGDFN-ROUUACIJSA-N 1 1 297.446 3.275 20 30 CGEDMO CC1(C)CN([C@H]2CC[C@H](C#N)C2)CC[N@@H+]1Cc1ccccc1 ZINC000293158144 328274526 /nfs/dbraw/zinc/27/45/26/328274526.db2.gz RIVLKMJXWOGDFN-ROUUACIJSA-N 1 1 297.446 3.275 20 30 CGEDMO CC1(C)CN([C@H]2CC[C@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC000293158144 328274528 /nfs/dbraw/zinc/27/45/28/328274528.db2.gz RIVLKMJXWOGDFN-ROUUACIJSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)CCOCCC#N ZINC000293168454 328274695 /nfs/dbraw/zinc/27/46/95/328274695.db2.gz RVYPNIPSWOTQPO-CYBMUJFWSA-N 1 1 280.799 3.133 20 30 CGEDMO N#CCCOCC[N@@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000293557961 328276714 /nfs/dbraw/zinc/27/67/14/328276714.db2.gz RSMYTZISZRJOMG-HNNXBMFYSA-N 1 1 292.810 3.277 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](CC)[C@@H](C)Cc1ccsc1 ZINC000187774693 328302820 /nfs/dbraw/zinc/30/28/20/328302820.db2.gz NBWWGAFBQCXVKU-ZFWWWQNUSA-N 1 1 267.438 3.328 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000564449407 322031461 /nfs/dbraw/zinc/03/14/61/322031461.db2.gz CQRSZHFUCVXSIL-KBPBESRZSA-N 1 1 270.376 3.263 20 30 CGEDMO C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000565867727 322094518 /nfs/dbraw/zinc/09/45/18/322094518.db2.gz YHVCLCYKMCGAQM-QFBILLFUSA-N 1 1 297.446 3.257 20 30 CGEDMO CN1CCC[C@@H](C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)C1 ZINC000565867727 322094521 /nfs/dbraw/zinc/09/45/21/322094521.db2.gz YHVCLCYKMCGAQM-QFBILLFUSA-N 1 1 297.446 3.257 20 30 CGEDMO CCCC[N@@H+](C)C[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1F ZINC000567088657 322149995 /nfs/dbraw/zinc/14/99/95/322149995.db2.gz SOWAENJGQRXFLZ-KGLIPLIRSA-N 1 1 291.414 3.468 20 30 CGEDMO CC(C)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000567990038 322186707 /nfs/dbraw/zinc/18/67/07/322186707.db2.gz YILSLCVOTRIFLZ-AWEZNQCLSA-N 1 1 287.363 3.334 20 30 CGEDMO CCOCc1cc(C[N@H+](CCC#N)C(C)C)ccc1OC ZINC000535072665 328383912 /nfs/dbraw/zinc/38/39/12/328383912.db2.gz HZWPDOJNLDCRRO-UHFFFAOYSA-N 1 1 290.407 3.356 20 30 CGEDMO CCOCc1cc(C[N@@H+](CCC#N)C(C)C)ccc1OC ZINC000535072665 328383914 /nfs/dbraw/zinc/38/39/14/328383914.db2.gz HZWPDOJNLDCRRO-UHFFFAOYSA-N 1 1 290.407 3.356 20 30 CGEDMO COc1ccccc1/C=C\C[N@H+](CCC#N)C(C)C ZINC000535077160 328384749 /nfs/dbraw/zinc/38/47/49/328384749.db2.gz RFOMVTQRMXBKOC-TWGQIWQCSA-N 1 1 258.365 3.332 20 30 CGEDMO COc1ccccc1/C=C\C[N@@H+](CCC#N)C(C)C ZINC000535077160 328384750 /nfs/dbraw/zinc/38/47/50/328384750.db2.gz RFOMVTQRMXBKOC-TWGQIWQCSA-N 1 1 258.365 3.332 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000255953817 327036971 /nfs/dbraw/zinc/03/69/71/327036971.db2.gz SLTKLMFLMUAGLC-ZJIFWQFVSA-N 1 1 280.456 3.214 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc(C#N)cn1)C1CC(C)(C)C1 ZINC000584181094 327061094 /nfs/dbraw/zinc/06/10/94/327061094.db2.gz NZVBMSLLJWOPHE-UHFFFAOYSA-N 1 1 257.381 3.352 20 30 CGEDMO C=CCCCC[N@@H+]1CCn2c(nnc2C2CCCC2)C1 ZINC000584213042 327068076 /nfs/dbraw/zinc/06/80/76/327068076.db2.gz IJVMUKAVYYMXMA-UHFFFAOYSA-N 1 1 274.412 3.108 20 30 CGEDMO C=CCCCC[N@H+]1CCn2c(nnc2C2CCCC2)C1 ZINC000584213042 327068077 /nfs/dbraw/zinc/06/80/77/327068077.db2.gz IJVMUKAVYYMXMA-UHFFFAOYSA-N 1 1 274.412 3.108 20 30 CGEDMO C[C@H](CO)[N@@H+](CC#Cc1ccccc1Cl)C1CCCC1 ZINC000558115734 327074736 /nfs/dbraw/zinc/07/47/36/327074736.db2.gz SLYRPCBHRWRXMQ-CQSZACIVSA-N 1 1 291.822 3.317 20 30 CGEDMO C[C@H]1C[N@@H+](CCCSCC#N)C[C@H](c2ccccc2)O1 ZINC000074989130 327122660 /nfs/dbraw/zinc/12/26/60/327122660.db2.gz NAKJXJNCIKQDSH-GOEBONIOSA-N 1 1 290.432 3.095 20 30 CGEDMO C=CCNC(=O)C[N@@H+](Cc1cccs1)C(C)(C)CCC ZINC000558864711 327128096 /nfs/dbraw/zinc/12/80/96/327128096.db2.gz AFGJAXBUQPAJIJ-UHFFFAOYSA-N 1 1 294.464 3.431 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000569455749 327180207 /nfs/dbraw/zinc/18/02/07/327180207.db2.gz BNDUNHCYNZIMHB-LSDHHAIUSA-N 1 1 264.413 3.207 20 30 CGEDMO C[N@H+](CC#Cc1cccc(Cl)c1)CCc1ccccn1 ZINC000152949090 327185573 /nfs/dbraw/zinc/18/55/73/327185573.db2.gz KATDOZUCGRPGHU-UHFFFAOYSA-N 1 1 284.790 3.261 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000150902924 327397005 /nfs/dbraw/zinc/39/70/05/327397005.db2.gz UCRJLZWNTCPBPP-NVXWUHKLSA-N 1 1 293.455 3.108 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1cc(F)cc2cccnc21 ZINC000184088103 329255906 /nfs/dbraw/zinc/25/59/06/329255906.db2.gz JVFLTHJOXMSRKC-AWEZNQCLSA-N 1 1 257.312 3.156 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccc(CC)cc1 ZINC000467301241 329332673 /nfs/dbraw/zinc/33/26/73/329332673.db2.gz ZJFGODLWRPWHDU-HUUCEWRRSA-N 1 1 288.435 3.323 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)Nc1c[nH+]ccc1-n1cc(C)cn1 ZINC000185931669 329332909 /nfs/dbraw/zinc/33/29/09/329332909.db2.gz JTIIOZBBHALATN-CYBMUJFWSA-N 1 1 284.363 3.117 20 30 CGEDMO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCCC#N ZINC000185945561 329333176 /nfs/dbraw/zinc/33/31/76/329333176.db2.gz OLWHCGNMHVDAKN-ILXRZTDVSA-N 1 1 292.423 3.265 20 30 CGEDMO C=CC[C@H](C)[C@@H](C)[NH2+]CC(F)(F)c1cccc(OC)n1 ZINC000572019829 329937909 /nfs/dbraw/zinc/93/79/09/329937909.db2.gz UNEHSQWMIHKJLS-NWDGAFQWSA-N 1 1 284.350 3.372 20 30 CGEDMO C=CCN1CCC([NH2+][C@@H](C)c2ccncc2Cl)CC1 ZINC000421838052 330092431 /nfs/dbraw/zinc/09/24/31/330092431.db2.gz UNSNXFYTTZEMRN-LBPRGKRZSA-N 1 1 279.815 3.036 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC000276114399 330112331 /nfs/dbraw/zinc/11/23/31/330112331.db2.gz IHKWOIAIWWWVGR-UHFFFAOYSA-N 1 1 255.745 3.062 20 30 CGEDMO C=CC(C)(C)CC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000527927980 330296845 /nfs/dbraw/zinc/29/68/45/330296845.db2.gz SNIDGVICGIKLIC-ZNMIVQPWSA-N 1 1 250.430 3.051 20 30 CGEDMO C=CCn1cc(C[NH2+][C@H](c2ccc(C)cc2)C2CCC2)nn1 ZINC000424292810 330335216 /nfs/dbraw/zinc/33/52/16/330335216.db2.gz HMAHXRBRJUODOE-SFHVURJKSA-N 1 1 296.418 3.404 20 30 CGEDMO C=CCn1cc(C[NH2+][C@H](CC(C)C)c2cccs2)nn1 ZINC000424294347 330335757 /nfs/dbraw/zinc/33/57/57/330335757.db2.gz KREPVLROWVVPGA-CQSZACIVSA-N 1 1 290.436 3.403 20 30 CGEDMO C=CCn1cc(C[NH2+][C@H]2CC[C@@H](C)c3ccsc32)nn1 ZINC000424299676 330336935 /nfs/dbraw/zinc/33/69/35/330336935.db2.gz VXZIBYYGLWEVAA-RISCZKNCSA-N 1 1 288.420 3.254 20 30 CGEDMO C=CCN(C)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000119367825 330373585 /nfs/dbraw/zinc/37/35/85/330373585.db2.gz OQGMNSFANUJWSV-CYBMUJFWSA-N 1 1 298.390 3.069 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](CC)C(=O)Nc1ccc(OC)cc1 ZINC000119637902 330378008 /nfs/dbraw/zinc/37/80/08/330378008.db2.gz PHSMZJBHYFRWRE-MRXNPFEDSA-N 1 1 290.407 3.310 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)N(CC)c1ccccc1 ZINC000121096360 330396175 /nfs/dbraw/zinc/39/61/75/330396175.db2.gz BAUAJQFJHJVGOC-HNNXBMFYSA-N 1 1 274.408 3.326 20 30 CGEDMO C=CCCCC[C@H](C)[NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000449189233 330905000 /nfs/dbraw/zinc/90/50/00/330905000.db2.gz MBEANLHYDNFSJK-SZMVWBNQSA-N 1 1 294.483 3.089 20 30 CGEDMO N#CC1(C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)CCC1 ZINC000450849082 331002651 /nfs/dbraw/zinc/00/26/51/331002651.db2.gz VTFJIFCYAFDSTK-LSDHHAIUSA-N 1 1 290.794 3.453 20 30 CGEDMO N#CC1(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)CCC1 ZINC000450849079 331002709 /nfs/dbraw/zinc/00/27/09/331002709.db2.gz VTFJIFCYAFDSTK-CABCVRRESA-N 1 1 290.794 3.453 20 30 CGEDMO CCOC(=O)C1CCC([N@@H+](CC)CC2(C#N)CCC2)CC1 ZINC000450943579 331008270 /nfs/dbraw/zinc/00/82/70/331008270.db2.gz SSUPNRNFRJBJNB-UHFFFAOYSA-N 1 1 292.423 3.124 20 30 CGEDMO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000451607730 331036497 /nfs/dbraw/zinc/03/64/97/331036497.db2.gz QIEFQSDSDJEUNU-YUELXQCFSA-N 1 1 284.359 3.336 20 30 CGEDMO COc1cccc([C@H]2C[C@H]([N@@H+](C)CC3(C#N)CC3)C2)c1 ZINC000452015147 331050483 /nfs/dbraw/zinc/05/04/83/331050483.db2.gz JJWRSXGNWPVQAB-SHTZXODSSA-N 1 1 270.376 3.177 20 30 CGEDMO C=CC[N@H+](CCn1cc(Cl)cn1)Cc1ccccc1 ZINC000459283138 331274477 /nfs/dbraw/zinc/27/44/77/331274477.db2.gz DPPIRIQXMUOKJU-UHFFFAOYSA-N 1 1 275.783 3.225 20 30 CGEDMO CC(C)(C)OC(=O)[C@]1(C)CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000459591842 331289652 /nfs/dbraw/zinc/28/96/52/331289652.db2.gz UHIRUABFJNDANE-QGZVFWFLSA-N 1 1 294.439 3.370 20 30 CGEDMO CC#CCC[N@H+](C)[C@@H]1CCCc2cc(OC)ccc21 ZINC000462310561 331319081 /nfs/dbraw/zinc/31/90/81/331319081.db2.gz CWSSCVXJGTZKOD-QGZVFWFLSA-N 1 1 257.377 3.418 20 30 CGEDMO C=CCOc1cccc(CN2CC[N@@H+](C)[C@H](C(C)C)C2)c1 ZINC000488586984 332019221 /nfs/dbraw/zinc/01/92/21/332019221.db2.gz XGBGOXAWNWRWJM-SFHVURJKSA-N 1 1 288.435 3.023 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)OC ZINC000488972801 332036054 /nfs/dbraw/zinc/03/60/54/332036054.db2.gz FBZOJEPFCPRJOQ-RRFJBIMHSA-N 1 1 265.397 3.006 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CCc1ccccc1C(=O)OC ZINC000489464938 332054105 /nfs/dbraw/zinc/05/41/05/332054105.db2.gz QWIGUIYUZFHIAN-HNNXBMFYSA-N 1 1 273.376 3.056 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccccc2)no1 ZINC000489490837 332055884 /nfs/dbraw/zinc/05/58/84/332055884.db2.gz ZWCKPIBYNBIJQU-CQSZACIVSA-N 1 1 269.348 3.277 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccccc2)no1 ZINC000489490837 332055886 /nfs/dbraw/zinc/05/58/86/332055886.db2.gz ZWCKPIBYNBIJQU-CQSZACIVSA-N 1 1 269.348 3.277 20 30 CGEDMO CC#CCC[N@H+](CCC)[C@H](C)C(=O)Nc1ccccc1C ZINC000490036855 332077715 /nfs/dbraw/zinc/07/77/15/332077715.db2.gz XATFPAMUZYTREV-MRXNPFEDSA-N 1 1 286.419 3.447 20 30 CGEDMO CC#CCC[N@H+](C)[C@H](COC)c1ccc(Cl)cc1 ZINC000490052150 332078651 /nfs/dbraw/zinc/07/86/51/332078651.db2.gz YNGRCRUHJIXJHN-OAHLLOKOSA-N 1 1 265.784 3.373 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H]1CCO[C@@H](C)C1 ZINC000491115328 332151139 /nfs/dbraw/zinc/15/11/39/332151139.db2.gz RLEWIYWWDMLLEK-DOTOQJQBSA-N 1 1 289.419 3.498 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)[C@H]2CCc3ccc(F)cc32)n1 ZINC000491240603 332172089 /nfs/dbraw/zinc/17/20/89/332172089.db2.gz BDOFVGAUFDSRKT-SFHVURJKSA-N 1 1 297.377 3.165 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)[C@H]2CCc3ccc(F)cc32)n1 ZINC000491240603 332172090 /nfs/dbraw/zinc/17/20/90/332172090.db2.gz BDOFVGAUFDSRKT-SFHVURJKSA-N 1 1 297.377 3.165 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)CCCc2ccsc2)n1 ZINC000491523122 332228787 /nfs/dbraw/zinc/22/87/87/332228787.db2.gz BRCZSVWDNLWQRD-UHFFFAOYSA-N 1 1 287.432 3.033 20 30 CGEDMO C#C[C@H]([NH2+]Cc1nccn1Cc1ccccc1)C(C)(C)C ZINC000491777607 332342922 /nfs/dbraw/zinc/34/29/22/332342922.db2.gz XGZULMDYZXFUPZ-INIZCTEOSA-N 1 1 281.403 3.069 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000174828225 333008164 /nfs/dbraw/zinc/00/81/64/333008164.db2.gz PMHHWAQXQQNFGS-UHFFFAOYSA-N 1 1 282.428 3.284 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1cc(F)cc(Br)c1 ZINC000312256193 333078990 /nfs/dbraw/zinc/07/89/90/333078990.db2.gz KQXJFLCIGZGZID-UHFFFAOYSA-N 1 1 285.160 3.228 20 30 CGEDMO C=CCCCC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000517506449 333100806 /nfs/dbraw/zinc/10/08/06/333100806.db2.gz NLPLKZBZPJYVKF-BZUAXINKSA-N 1 1 251.414 3.358 20 30 CGEDMO C=CC[NH+]1CCC(NCc2cc(Cl)cs2)CC1 ZINC000193092809 333242371 /nfs/dbraw/zinc/24/23/71/333242371.db2.gz WSHBMBHJEJIGIT-UHFFFAOYSA-N 1 1 270.829 3.142 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000193364045 333248708 /nfs/dbraw/zinc/24/87/08/333248708.db2.gz JZHDKVLNMHKONJ-MRXNPFEDSA-N 1 1 252.446 3.397 20 30 CGEDMO C=C(C)COCC[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000125773825 333572936 /nfs/dbraw/zinc/57/29/36/333572936.db2.gz BZYWYMUXFJDQQA-UHFFFAOYSA-N 1 1 268.426 3.123 20 30 CGEDMO CC(C)c1cnc(C[NH+]2CCC(CC#N)CC2)s1 ZINC000542486133 333827586 /nfs/dbraw/zinc/82/75/86/333827586.db2.gz MTIMNLYRSHRFSY-UHFFFAOYSA-N 1 1 263.410 3.392 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[NH+]2CCC(CC#N)CC2)c1C ZINC000543808190 333901013 /nfs/dbraw/zinc/90/10/13/333901013.db2.gz VMMNZJCCXKHJAW-UHFFFAOYSA-N 1 1 299.418 3.099 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000132695344 334001308 /nfs/dbraw/zinc/00/13/08/334001308.db2.gz GJUZPPBHHUXIJZ-AWEZNQCLSA-N 1 1 282.428 3.141 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000134005518 334077164 /nfs/dbraw/zinc/07/71/64/334077164.db2.gz BQVJAPHVAVIKLD-KGLIPLIRSA-N 1 1 282.428 3.188 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)NCCC1=CCCCC1 ZINC000076738021 334088323 /nfs/dbraw/zinc/08/83/23/334088323.db2.gz WCZVUHWDLJIGDZ-HNNXBMFYSA-N 1 1 278.440 3.280 20 30 CGEDMO Clc1ccccc1C#CC[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000134986464 334110809 /nfs/dbraw/zinc/11/08/09/334110809.db2.gz XELABOBOIOLEMC-AWEZNQCLSA-N 1 1 289.806 3.192 20 30 CGEDMO COC[C@@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000135077137 334114685 /nfs/dbraw/zinc/11/46/85/334114685.db2.gz BVVNQTXPGHVKCU-CQSZACIVSA-N 1 1 277.795 3.050 20 30 CGEDMO COC[C@@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000135077137 334114686 /nfs/dbraw/zinc/11/46/86/334114686.db2.gz BVVNQTXPGHVKCU-CQSZACIVSA-N 1 1 277.795 3.050 20 30 CGEDMO FC(F)(F)c1ccc(C#CC[NH2+]Cc2cncs2)cc1 ZINC000136277672 334151165 /nfs/dbraw/zinc/15/11/65/334151165.db2.gz OOPHRJDILFMIEG-UHFFFAOYSA-N 1 1 296.317 3.303 20 30 CGEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)CCCSCC#N)C1 ZINC000080629628 334172766 /nfs/dbraw/zinc/17/27/66/334172766.db2.gz VCPYBLQYUBPUNK-QWHCGFSZSA-N 1 1 272.483 3.239 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+]Cc1csc2ccccc12 ZINC000549195311 334187389 /nfs/dbraw/zinc/18/73/89/334187389.db2.gz UFPGOMWWJDIOBH-GFCCVEGCSA-N 1 1 269.373 3.434 20 30 CGEDMO C=CCOCC[N@H+](C)CC(C)(C)c1ccc(C)cc1 ZINC000549860666 334207183 /nfs/dbraw/zinc/20/71/83/334207183.db2.gz QKHBRIMTEMOQHG-UHFFFAOYSA-N 1 1 261.409 3.407 20 30 CGEDMO CC1(C)C[N@H+]([C@@H]2CC[C@@H](C#N)C2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000550065341 334212151 /nfs/dbraw/zinc/21/21/51/334212151.db2.gz ZTTRJQIXHRBVRL-QFXBJFAPSA-N 1 1 288.435 3.348 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)NC(C)(C)CC ZINC000564389083 334303503 /nfs/dbraw/zinc/30/35/03/334303503.db2.gz DIGNZVYCSZOINQ-AWEZNQCLSA-N 1 1 268.445 3.358 20 30 CGEDMO CC[N@H+](CCOc1ccc(F)cc1Cl)C[C@H](C)C#N ZINC000091739002 334382799 /nfs/dbraw/zinc/38/27/99/334382799.db2.gz JGRUIXPQRRZOFZ-LLVKDONJSA-N 1 1 284.762 3.339 20 30 CGEDMO CC[N@@H+](CCOc1ccc(F)cc1Cl)C[C@H](C)C#N ZINC000091739002 334382800 /nfs/dbraw/zinc/38/28/00/334382800.db2.gz JGRUIXPQRRZOFZ-LLVKDONJSA-N 1 1 284.762 3.339 20 30 CGEDMO C=C1CCN(C(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000576528613 335215548 /nfs/dbraw/zinc/21/55/48/335215548.db2.gz KFCDUIOCDNKJJL-HNNXBMFYSA-N 1 1 292.810 3.121 20 30 CGEDMO Cc1ccnc([C@H]2CC[N@@H+](Cc3ccc(CC#N)cc3)C2)c1 ZINC000581079827 336005538 /nfs/dbraw/zinc/00/55/38/336005538.db2.gz JBWAUTUWQZIEAI-SFHVURJKSA-N 1 1 291.398 3.446 20 30 CGEDMO C=CC[N@H+](CCOC)[C@@H](C)c1ccc(F)c(F)c1 ZINC000195002537 336042353 /nfs/dbraw/zinc/04/23/53/336042353.db2.gz VJQYEWBEQUILDC-NSHDSACASA-N 1 1 255.308 3.160 20 30 CGEDMO C=C(CC)C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000382022990 336080436 /nfs/dbraw/zinc/08/04/36/336080436.db2.gz YTFHWPMRFKJESA-OALUTQOASA-N 1 1 284.447 3.407 20 30 CGEDMO C=C(CC)C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000382022990 336080437 /nfs/dbraw/zinc/08/04/37/336080437.db2.gz YTFHWPMRFKJESA-OALUTQOASA-N 1 1 284.447 3.407 20 30 CGEDMO C=C(CC)C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000382022992 336080475 /nfs/dbraw/zinc/08/04/75/336080475.db2.gz YTFHWPMRFKJESA-RBUKOAKNSA-N 1 1 284.447 3.407 20 30 CGEDMO C=C(CC)C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000382022992 336080476 /nfs/dbraw/zinc/08/04/76/336080476.db2.gz YTFHWPMRFKJESA-RBUKOAKNSA-N 1 1 284.447 3.407 20 30 CGEDMO C=CCCCCC[NH2+][C@H](c1ncc[nH]1)c1cccnc1 ZINC000581558416 336102790 /nfs/dbraw/zinc/10/27/90/336102790.db2.gz PLVCSPZSZXUCEP-HNNXBMFYSA-N 1 1 270.380 3.230 20 30 CGEDMO CCc1nc(C[NH+]2CCC(CCC#N)CC2)cs1 ZINC000581724037 336137557 /nfs/dbraw/zinc/13/75/57/336137557.db2.gz KQZGYARSVILBIN-UHFFFAOYSA-N 1 1 263.410 3.221 20 30 CGEDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)Nc1ncc(C#N)cc1Cl ZINC000358878768 533831966 /nfs/dbraw/zinc/83/19/66/533831966.db2.gz VFQVOYSMTOXUNT-RYUDHWBXSA-N 1 1 292.814 3.139 20 30 CGEDMO C[C@H]([NH2+]Cc1ccccc1C#N)c1cccc([N+](=O)[O-])c1 ZINC000160324907 533935994 /nfs/dbraw/zinc/93/59/94/533935994.db2.gz WXGVEYOGEJVLGG-LBPRGKRZSA-N 1 1 281.315 3.317 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCO[C@@H]1CCCCO1 ZINC000425537746 534080021 /nfs/dbraw/zinc/08/00/21/534080021.db2.gz QZAPDDNEQNWYKT-WMLDXEAASA-N 1 1 288.391 3.094 20 30 CGEDMO Cc1ccc(O)c(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)n1 ZINC000425364724 534192788 /nfs/dbraw/zinc/19/27/88/534192788.db2.gz HHFWYVMTDAHZRJ-ZDUSSCGKSA-N 1 1 281.359 3.160 20 30 CGEDMO C=C(C)[C@H](NC(=O)C[N@H+](C)C(C)C)c1ccc(F)c(F)c1 ZINC000184859085 518644557 /nfs/dbraw/zinc/64/45/57/518644557.db2.gz KBELOECNMWRZHX-INIZCTEOSA-N 1 1 296.361 3.038 20 30 CGEDMO CC1(C)CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000087657833 520328091 /nfs/dbraw/zinc/32/80/91/520328091.db2.gz WUNKUUBAMHGYNE-INIZCTEOSA-N 1 1 272.392 3.104 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(C#N)cc1OC ZINC000352721716 526326594 /nfs/dbraw/zinc/32/65/94/526326594.db2.gz WOYVXUCPRCGAPH-UHFFFAOYSA-N 1 1 296.370 3.391 20 30 CGEDMO C=CC[N@H+](Cc1cnc(C)nc1)CC1CCCCC1 ZINC000352012935 526379062 /nfs/dbraw/zinc/37/90/62/526379062.db2.gz HDSFQOTYIBNFPJ-UHFFFAOYSA-N 1 1 259.397 3.353 20 30 CGEDMO C=C(C)CC[N@H+](CCC(=O)OC)Cc1ccc(F)c(F)c1 ZINC000352012960 526441229 /nfs/dbraw/zinc/44/12/29/526441229.db2.gz HJNANJWUEIHZSD-UHFFFAOYSA-N 1 1 297.345 3.296 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cncc(C)c1 ZINC000352794844 526560068 /nfs/dbraw/zinc/56/00/68/526560068.db2.gz RRMDZSJNWBOSSM-UHFFFAOYSA-N 1 1 286.375 3.054 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cncc(C)c1 ZINC000352794844 526560071 /nfs/dbraw/zinc/56/00/71/526560071.db2.gz RRMDZSJNWBOSSM-UHFFFAOYSA-N 1 1 286.375 3.054 20 30 CGEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC=C(c2cc(C)cc(C)c2)CC1 ZINC000354825515 526630454 /nfs/dbraw/zinc/63/04/54/526630454.db2.gz CQCYELWUTPKGIG-INIZCTEOSA-N 1 1 298.430 3.083 20 30 CGEDMO C=CCOCCC[N@H+](C)Cc1ccc(Br)o1 ZINC000347973426 526748567 /nfs/dbraw/zinc/74/85/67/526748567.db2.gz RFVAMHFZPQLMQV-UHFFFAOYSA-N 1 1 288.185 3.067 20 30 CGEDMO C=CCOc1cccc(C[N@H+](C[C@H](C)OC)C(C)C)c1 ZINC000353779180 526897180 /nfs/dbraw/zinc/89/71/80/526897180.db2.gz HBGVNKJLSLYBRT-HNNXBMFYSA-N 1 1 277.408 3.497 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCCO[C@H](CC)C2)c1 ZINC000343685504 526897497 /nfs/dbraw/zinc/89/74/97/526897497.db2.gz VFEMSRCIUSREND-MRXNPFEDSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CCCCCC[N@H+](C)CC(=O)N(C)Cc1cccs1 ZINC000352758756 527127989 /nfs/dbraw/zinc/12/79/89/527127989.db2.gz JVWYLGJTWZRLDQ-UHFFFAOYSA-N 1 1 294.464 3.385 20 30 CGEDMO Cn1cc(C[N@H+]2CCCC23CCCCC3)cc1C#N ZINC000364841795 527196481 /nfs/dbraw/zinc/19/64/81/527196481.db2.gz BZDYYDRIMCOZGI-UHFFFAOYSA-N 1 1 257.381 3.195 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000367013652 527327989 /nfs/dbraw/zinc/32/79/89/527327989.db2.gz AZBQZKSLKVLHPJ-INIZCTEOSA-N 1 1 280.412 3.038 20 30 CGEDMO CCC[N@H+](CCN1CCCC1)[C@@H](C)c1cccc(C#N)c1 ZINC000411716203 528080904 /nfs/dbraw/zinc/08/09/04/528080904.db2.gz FJUKXQNAYPBBOA-INIZCTEOSA-N 1 1 285.435 3.427 20 30 CGEDMO CCC[N@@H+](CCN1CCCC1)[C@@H](C)c1cccc(C#N)c1 ZINC000411716203 528080910 /nfs/dbraw/zinc/08/09/10/528080910.db2.gz FJUKXQNAYPBBOA-INIZCTEOSA-N 1 1 285.435 3.427 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)CCOC ZINC000411162118 528134621 /nfs/dbraw/zinc/13/46/21/528134621.db2.gz CPDSUQYFUQUIKO-CQSZACIVSA-N 1 1 260.381 3.195 20 30 CGEDMO CCCn1cc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cn1 ZINC000425364383 528840717 /nfs/dbraw/zinc/84/07/17/528840717.db2.gz FZDUETGVQMMYPV-CQSZACIVSA-N 1 1 282.391 3.358 20 30 CGEDMO CC[NH+](CC)Cc1cc(C#N)ccc1Br ZINC000191773276 535598638 /nfs/dbraw/zinc/59/86/38/535598638.db2.gz ISIGVSRBSYMLEO-UHFFFAOYSA-N 1 1 267.170 3.163 20 30 CGEDMO COc1cc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)ccc1C#N ZINC000234973074 536749835 /nfs/dbraw/zinc/74/98/35/536749835.db2.gz RAWNALFWHXXYRD-CYBMUJFWSA-N 1 1 298.308 3.341 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)ccc1C#N ZINC000234973074 536749838 /nfs/dbraw/zinc/74/98/38/536749838.db2.gz RAWNALFWHXXYRD-CYBMUJFWSA-N 1 1 298.308 3.341 20 30 CGEDMO CN(C)c1ccc(C=[NH+]Nc2ccc(F)cc2)cc1F ZINC000727650577 571759275 /nfs/dbraw/zinc/75/92/75/571759275.db2.gz NAKBOVBLVLRFDW-UHFFFAOYSA-N 1 1 275.302 3.477 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)ccc1F)C[C@@](C)(O)c1ccccc1 ZINC000727828512 571772410 /nfs/dbraw/zinc/77/24/10/571772410.db2.gz RZBXJSXZOKHWFN-GOSISDBHSA-N 1 1 298.361 3.037 20 30 CGEDMO C#CC[N@H+](CC[S@@](=O)c1ccccc1)C1CCCCC1 ZINC000729473605 571920598 /nfs/dbraw/zinc/92/05/98/571920598.db2.gz MRYKQSLZQFJBOQ-HXUWFJFHSA-N 1 1 289.444 3.062 20 30 CGEDMO CCCCCCCCC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000731025994 572391804 /nfs/dbraw/zinc/39/18/04/572391804.db2.gz UIDDSZIEDWYKAV-HNNXBMFYSA-N 1 1 268.445 3.195 20 30 CGEDMO C=CC[N@@H+](Cn1ccc(-c2ccsc2)n1)C(C)C ZINC000731659710 572421338 /nfs/dbraw/zinc/42/13/38/572421338.db2.gz VOIAIFKHEZGDFL-UHFFFAOYSA-N 1 1 261.394 3.466 20 30 CGEDMO CCCCCCC[N@H+]1CCCC[C@@H]1CN1CCCC1=O ZINC000740877620 572464957 /nfs/dbraw/zinc/46/49/57/572464957.db2.gz TVHIZVABUJVELU-MRXNPFEDSA-N 1 1 280.456 3.434 20 30 CGEDMO CCCCCCC[N@H+]1CCCN(C[C@H]2CCCO2)CC1 ZINC000740878594 572465496 /nfs/dbraw/zinc/46/54/96/572465496.db2.gz NYAJAWUNPCYODN-QGZVFWFLSA-N 1 1 282.472 3.144 20 30 CGEDMO CCCCCCCN1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000740878594 572465501 /nfs/dbraw/zinc/46/55/01/572465501.db2.gz NYAJAWUNPCYODN-QGZVFWFLSA-N 1 1 282.472 3.144 20 30 CGEDMO CCCCCCCN1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000740878594 572465504 /nfs/dbraw/zinc/46/55/04/572465504.db2.gz NYAJAWUNPCYODN-QGZVFWFLSA-N 1 1 282.472 3.144 20 30 CGEDMO CCCCCCC[N@@H+](C)CC(=O)Nc1cc(C)ccn1 ZINC000740875711 572465663 /nfs/dbraw/zinc/46/56/63/572465663.db2.gz FNIZVXIJGBBGIQ-UHFFFAOYSA-N 1 1 277.412 3.231 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H](Cc2cc(Cl)ccc2OC)C1 ZINC000741255816 572491418 /nfs/dbraw/zinc/49/14/18/572491418.db2.gz LTBQUQKIACYYBX-ZDUSSCGKSA-N 1 1 277.795 3.236 20 30 CGEDMO C=C(C)COC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000741321244 572492119 /nfs/dbraw/zinc/49/21/19/572492119.db2.gz SFXNXNVWJXRSNS-INIZCTEOSA-N 1 1 273.376 3.018 20 30 CGEDMO C=C(Cl)CN1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000747532409 572590137 /nfs/dbraw/zinc/59/01/37/572590137.db2.gz XKRMEDPOVICDDJ-OAHLLOKOSA-N 1 1 278.827 3.335 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@H](O)c1ccc(C)cc1 ZINC000743842645 572686753 /nfs/dbraw/zinc/68/67/53/572686753.db2.gz JCDFYIRPDUCSTH-IBGZPJMESA-N 1 1 297.373 3.303 20 30 CGEDMO C#CC[N@@H+](CC#CC)Cc1cccc(C(F)(F)F)c1 ZINC000743853145 572690919 /nfs/dbraw/zinc/69/09/19/572690919.db2.gz UPQCKIMJLIDKJS-UHFFFAOYSA-N 1 1 265.278 3.164 20 30 CGEDMO C#CC[N@H+](CC#CC)Cc1cccc(C(F)(F)F)c1 ZINC000743853145 572690921 /nfs/dbraw/zinc/69/09/21/572690921.db2.gz UPQCKIMJLIDKJS-UHFFFAOYSA-N 1 1 265.278 3.164 20 30 CGEDMO C#CCOc1ccccc1C[NH2+]Cc1cc(C)ccc1F ZINC000735084637 572700047 /nfs/dbraw/zinc/70/00/47/572700047.db2.gz MUBKDDQFJOYEAC-UHFFFAOYSA-N 1 1 283.346 3.436 20 30 CGEDMO CC(C)[C@@H](C)[N@@H+](C)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000744147527 572713873 /nfs/dbraw/zinc/71/38/73/572713873.db2.gz RJTQGVKLVYLGGN-CQSZACIVSA-N 1 1 282.391 3.356 20 30 CGEDMO C=CCCC[N@H+](CCC)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000735413333 572717962 /nfs/dbraw/zinc/71/79/62/572717962.db2.gz RTPVJGKGRMYXPU-UHFFFAOYSA-N 1 1 285.395 3.045 20 30 CGEDMO C#CC[N@H+](C[C@@H](O)c1ccc(F)cc1F)C1CCCCC1 ZINC000744213940 572724187 /nfs/dbraw/zinc/72/41/87/572724187.db2.gz XEZBELLIYRVOCR-QGZVFWFLSA-N 1 1 293.357 3.266 20 30 CGEDMO C=CCOC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000744921055 572783236 /nfs/dbraw/zinc/78/32/36/572783236.db2.gz HBGQFHOGWJAIDT-UHFFFAOYSA-N 1 1 261.365 3.260 20 30 CGEDMO CCCCCCCCOC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000745079088 572794863 /nfs/dbraw/zinc/79/48/63/572794863.db2.gz JRILEDLQMNYLDG-AWEZNQCLSA-N 1 1 255.402 3.374 20 30 CGEDMO CCCCCCCCOC(=O)[C@@H]1CCCC[N@H+]1C ZINC000745079088 572794868 /nfs/dbraw/zinc/79/48/68/572794868.db2.gz JRILEDLQMNYLDG-AWEZNQCLSA-N 1 1 255.402 3.374 20 30 CGEDMO CCCCCCCCOC(=O)[C@H]1CCCC[N@@H+]1C ZINC000745079089 572794957 /nfs/dbraw/zinc/79/49/57/572794957.db2.gz JRILEDLQMNYLDG-CQSZACIVSA-N 1 1 255.402 3.374 20 30 CGEDMO CCCCCCCCOC(=O)[C@H]1CCCC[N@H+]1C ZINC000745079089 572794962 /nfs/dbraw/zinc/79/49/62/572794962.db2.gz JRILEDLQMNYLDG-CQSZACIVSA-N 1 1 255.402 3.374 20 30 CGEDMO CCCCCCCOC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000745089945 572796426 /nfs/dbraw/zinc/79/64/26/572796426.db2.gz SSSMWGPOJCBGAQ-CQSZACIVSA-N 1 1 255.402 3.374 20 30 CGEDMO CCCCCCCOC(=O)[C@H]1CCCC[N@H+]1CC ZINC000745089945 572796427 /nfs/dbraw/zinc/79/64/27/572796427.db2.gz SSSMWGPOJCBGAQ-CQSZACIVSA-N 1 1 255.402 3.374 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](C)[C@H]1CNC(=O)OC(C)(C)C ZINC000747971025 572956808 /nfs/dbraw/zinc/95/68/08/572956808.db2.gz XGIFMVVJOZKJIJ-UONOGXRCSA-N 1 1 282.428 3.188 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+](CC=C)C(C)C)c1C ZINC000749149144 572989953 /nfs/dbraw/zinc/98/99/53/572989953.db2.gz YGFOBTKZODTGHX-UHFFFAOYSA-N 1 1 274.408 3.370 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@H+](CC=C)C(C)C)c1C ZINC000749149144 572989954 /nfs/dbraw/zinc/98/99/54/572989954.db2.gz YGFOBTKZODTGHX-UHFFFAOYSA-N 1 1 274.408 3.370 20 30 CGEDMO C#CC[N@@H+](CC)CCOc1c(Cl)cccc1Cl ZINC000749154669 572990058 /nfs/dbraw/zinc/99/00/58/572990058.db2.gz GOXJGYITHFCATI-UHFFFAOYSA-N 1 1 272.175 3.327 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)Cc2c(C)nn(C)c2C)cc1 ZINC000749896719 573054424 /nfs/dbraw/zinc/05/44/24/573054424.db2.gz KSSYUTYLJXRGKB-UHFFFAOYSA-N 1 1 299.418 3.234 20 30 CGEDMO C#CC[N@@H+](CN1C(=O)[C@@H]2CCCCC[C@@H]21)C1CCCCC1 ZINC000749946489 573066569 /nfs/dbraw/zinc/06/65/69/573066569.db2.gz OWQQRJRBSOIEGJ-SJORKVTESA-N 1 1 288.435 3.003 20 30 CGEDMO C#CC[N@H+](CN1C(=O)[C@@H]2CCCCC[C@@H]21)C1CCCCC1 ZINC000749946489 573066573 /nfs/dbraw/zinc/06/65/73/573066573.db2.gz OWQQRJRBSOIEGJ-SJORKVTESA-N 1 1 288.435 3.003 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000750055012 573077839 /nfs/dbraw/zinc/07/78/39/573077839.db2.gz HNUHRYKURMOWJM-KGLIPLIRSA-N 1 1 280.412 3.036 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000823893873 608383837 /nfs/dbraw/zinc/38/38/37/608383837.db2.gz AILCTYIRUURGMN-ZDUSSCGKSA-N 1 1 285.395 3.043 20 30 CGEDMO C=C(C)CC[NH+]1CC(N(CC)C(=O)c2cc(C)oc2C)C1 ZINC000949662290 613246359 /nfs/dbraw/zinc/24/63/59/613246359.db2.gz PWEBUCONZBHGTM-UHFFFAOYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2CC)CC1 ZINC000948797093 613256530 /nfs/dbraw/zinc/25/65/30/613256530.db2.gz ZDQKZAWGUVHTTD-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2CC3(CC3)C2)C[C@H]1C ZINC000947701434 613265816 /nfs/dbraw/zinc/26/58/16/613265816.db2.gz BRPLOVMDUBQIKA-GDBMZVCRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccccc2)[C@@H](C)C1 ZINC000941759728 613267442 /nfs/dbraw/zinc/26/74/42/613267442.db2.gz DUQOMKVTLHVXSG-DOTOQJQBSA-N 1 1 286.419 3.093 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C(C)=C2CCC2)C[C@H]1C ZINC000947301684 613270395 /nfs/dbraw/zinc/27/03/95/613270395.db2.gz XTYWOILBSYDCGS-PBHICJAKSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)C(C)(C)C2CC2)[C@H](C)C1 ZINC000942570203 613270461 /nfs/dbraw/zinc/27/04/61/613270461.db2.gz VGSJEVNMWZUZOY-ZBFHGGJFSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)C=C(C)C)C[C@@]2(C)C1 ZINC000982196743 613275976 /nfs/dbraw/zinc/27/59/76/613275976.db2.gz ICXNHAGUVSXEBZ-HDICACEKSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)C2(C)CCCCC2)C1 ZINC000972229398 613283189 /nfs/dbraw/zinc/28/31/89/613283189.db2.gz ZZBOBVSWJNVOJA-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC000972767990 613289836 /nfs/dbraw/zinc/28/98/36/613289836.db2.gz SEKQSBGEVGLCEN-ULQDDVLXSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2cc(Cl)cs2)C1 ZINC000972476744 613291101 /nfs/dbraw/zinc/29/11/01/613291101.db2.gz SHLCWCYCTHNHJH-LBPRGKRZSA-N 1 1 298.839 3.124 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2ccc(C3CC3)cc2)C1 ZINC000980459395 613291331 /nfs/dbraw/zinc/29/13/31/613291331.db2.gz WXDSDMOUWRXFOM-SFHVURJKSA-N 1 1 298.430 3.286 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000963393965 613314216 /nfs/dbraw/zinc/31/42/16/613314216.db2.gz ZZIPPQAPOSVBRV-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000963393967 613314706 /nfs/dbraw/zinc/31/47/06/613314706.db2.gz ZZIPPQAPOSVBRV-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)C[C@@H]2CCCCC2(C)C)CC1 ZINC000957946601 613316316 /nfs/dbraw/zinc/31/63/16/613316316.db2.gz YLOZGJRWVNEUEW-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2C(C)(C)C2(C)C)[C@@H](C)C1 ZINC000941934027 613327143 /nfs/dbraw/zinc/32/71/43/613327143.db2.gz FBVFXOBLCNAXBB-UONOGXRCSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2sccc2F)C[C@H]1C ZINC000947252533 613332173 /nfs/dbraw/zinc/33/21/73/613332173.db2.gz DCWRUULVUOPAQN-VXGBXAGGSA-N 1 1 296.411 3.046 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C=C2CCCCC2)C[C@@H]1C ZINC000947109264 613334861 /nfs/dbraw/zinc/33/48/61/613334861.db2.gz RTNRUAGISFEYRO-RDJZCZTQSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cc(C)cs2)[C@@H](C)C1 ZINC000942030520 613335923 /nfs/dbraw/zinc/33/59/23/613335923.db2.gz YQVVDKGIERTPSX-KBPBESRZSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)C(C)(C)C1 ZINC000977505273 613338144 /nfs/dbraw/zinc/33/81/44/613338144.db2.gz TUEOJMCFJGTXFX-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)C2(F)CCCCC2)C(C)(C)C1 ZINC000977421893 613341116 /nfs/dbraw/zinc/34/11/16/613341116.db2.gz QDLXZRNJLACGEO-AWEZNQCLSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C(C)(C)C1 ZINC000974807268 613341852 /nfs/dbraw/zinc/34/18/52/613341852.db2.gz MBYCEFVNCZGWMF-KFWWJZLASA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)c2ccc(C)s2)C(C)(C)C1 ZINC000972758671 613342058 /nfs/dbraw/zinc/34/20/58/613342058.db2.gz WFTZUTYHVKPKNG-AWEZNQCLSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C(C)C)CC[C@@H]2C1 ZINC000946806550 613343364 /nfs/dbraw/zinc/34/33/64/613343364.db2.gz SLPZGQHJESYVOY-YESZJQIVSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]1C[N@H+](C)C(C)C ZINC000960648308 613367641 /nfs/dbraw/zinc/36/76/41/613367641.db2.gz LAQUEDUDIMMGOP-CYBMUJFWSA-N 1 1 286.847 3.096 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC1(C)C ZINC000968819056 613372708 /nfs/dbraw/zinc/37/27/08/613372708.db2.gz BNPGRPHETMDTNK-KBPBESRZSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC1(C)C ZINC000968819056 613372709 /nfs/dbraw/zinc/37/27/09/613372709.db2.gz BNPGRPHETMDTNK-KBPBESRZSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC ZINC000969037552 613373142 /nfs/dbraw/zinc/37/31/42/613373142.db2.gz ILAFWUZXGUSPEJ-QLFBSQMISA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC ZINC000969037552 613373143 /nfs/dbraw/zinc/37/31/43/613373143.db2.gz ILAFWUZXGUSPEJ-QLFBSQMISA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCC)C1 ZINC000963245449 613374434 /nfs/dbraw/zinc/37/44/34/613374434.db2.gz XWABZJAGGUOISP-GJZGRUSLSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2CC)C(C)(C)C1 ZINC000941045616 613376647 /nfs/dbraw/zinc/37/66/47/613376647.db2.gz YLHWKMIYXMZSBB-MGPQQGTHSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2CC)C(C)(C)C1 ZINC000941045616 613376648 /nfs/dbraw/zinc/37/66/48/613376648.db2.gz YLHWKMIYXMZSBB-MGPQQGTHSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2C[N@@H+](CCC(C)C)CC[C@@H]2C)C1 ZINC000968275263 613401776 /nfs/dbraw/zinc/40/17/76/613401776.db2.gz QGRIJYBRVZNKBG-HOTGVXAUSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[N@@H+](CC3CCC3)CC2)CC1 ZINC000981872937 613404264 /nfs/dbraw/zinc/40/42/64/613404264.db2.gz DWFOWAHNTYZYMC-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[N@@H+](CC2CCCC2)CC1 ZINC000981887885 613473422 /nfs/dbraw/zinc/47/34/22/613473422.db2.gz SRBVNVNYGGZSTM-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@@H]([N@@H+](C)CC2CCCC2)C1 ZINC000972246251 613474643 /nfs/dbraw/zinc/47/46/43/613474643.db2.gz OTKCOFCQSCSRJL-AEFFLSMTSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC000950089389 613477385 /nfs/dbraw/zinc/47/73/85/613477385.db2.gz BQGJPBDPLDURQF-OAHLLOKOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)c2occc2C)CC1 ZINC000948192748 613500333 /nfs/dbraw/zinc/50/03/33/613500333.db2.gz YLBSRBXZNXVPPE-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C=C(C)C)C1 ZINC000963248351 613500362 /nfs/dbraw/zinc/50/03/62/613500362.db2.gz BEPOHYWRROXAEJ-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2CCC2)C1 ZINC000963246071 613501464 /nfs/dbraw/zinc/50/14/64/613501464.db2.gz HAZGBHRJRFEXFX-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2(C)CC2)C1 ZINC000963308434 613501632 /nfs/dbraw/zinc/50/16/32/613501632.db2.gz DUQLRAUJKYSFSY-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[N@H+](C[C@H](C)CC)CC1 ZINC000981887328 613501791 /nfs/dbraw/zinc/50/17/91/613501791.db2.gz AOPFVMFYPIPCON-NVXWUHKLSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)C2CCC=CCC2)[C@@H](C)C1 ZINC000944994687 613520229 /nfs/dbraw/zinc/52/02/29/613520229.db2.gz NJZKASNLOKZGAR-DOTOQJQBSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C)cc2)[C@H](C)C1 ZINC000944264777 613524040 /nfs/dbraw/zinc/52/40/40/613524040.db2.gz QKJNIHPHRPRZQS-NVXWUHKLSA-N 1 1 286.419 3.011 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)c2sccc2C)[C@H](C)C1 ZINC000941747424 613528773 /nfs/dbraw/zinc/52/87/73/613528773.db2.gz LETBHKMRJWKAST-ZIAGYGMSSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)CC2CCCCC2)C1 ZINC000964770130 613529331 /nfs/dbraw/zinc/52/93/31/613529331.db2.gz IBDXRTJHJNDMQU-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)C2CCC2)[C@H](C)C1 ZINC000942535806 613533473 /nfs/dbraw/zinc/53/34/73/613533473.db2.gz ONEZYAVSQDMHBL-ZBFHGGJFSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)oc2C)C[C@@H]1C ZINC000947031926 613537998 /nfs/dbraw/zinc/53/79/98/613537998.db2.gz IOMWGQFKUXFNPO-WFASDCNBSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(F)s2)C[C@H]1C ZINC000948086130 613539060 /nfs/dbraw/zinc/53/90/60/613539060.db2.gz LNRVKTSSIGWCHQ-NEPJUHHUSA-N 1 1 296.411 3.046 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccsc2C)C[C@@H]1C ZINC000947280501 613539826 /nfs/dbraw/zinc/53/98/26/613539826.db2.gz BLDMYHLXUBGSCE-JSGCOSHPSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2occc2Cl)C[C@@H]1C ZINC000947686214 613542709 /nfs/dbraw/zinc/54/27/09/613542709.db2.gz VLZAZFLAIIVQMO-RYUDHWBXSA-N 1 1 296.798 3.092 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccccc2C)C(C)(C)C1 ZINC000972774444 613545621 /nfs/dbraw/zinc/54/56/21/613545621.db2.gz OUSUWSUSUNKZRB-MRXNPFEDSA-N 1 1 286.419 3.011 20 30 CGEDMO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)C(C)C)C[C@@]2(C)C1 ZINC000982611192 613551138 /nfs/dbraw/zinc/55/11/38/613551138.db2.gz PWECKEOUESXKKP-RYQLBKOJSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)C2CCCCC2)C1 ZINC000972536307 613613462 /nfs/dbraw/zinc/61/34/62/613613462.db2.gz KJVSEDBFIPUVKB-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)CC2CCC(C)(C)CC2)C1 ZINC000980564251 613627153 /nfs/dbraw/zinc/62/71/53/613627153.db2.gz IINCFAZMGKNEIK-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)c2cc3cccc(C)c3o2)C1 ZINC000980493276 613635760 /nfs/dbraw/zinc/63/57/60/613635760.db2.gz GWWVUSJFFOGJJE-HNNXBMFYSA-N 1 1 298.386 3.074 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)c2ccccc2C2(C)CC2)C1 ZINC000972315621 613638910 /nfs/dbraw/zinc/63/89/10/613638910.db2.gz DGBYTANWRQUJEQ-HNNXBMFYSA-N 1 1 298.430 3.070 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1cc(C)c(C)o1 ZINC000968807160 613684081 /nfs/dbraw/zinc/68/40/81/613684081.db2.gz ZYOVEQPFFLBNQE-OAHLLOKOSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1c(C)coc1C ZINC000968842968 613686061 /nfs/dbraw/zinc/68/60/61/613686061.db2.gz GGGXCJNSUGDKLN-HNNXBMFYSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H](C)CC)CC2)C1 ZINC000961330521 613703495 /nfs/dbraw/zinc/70/34/95/613703495.db2.gz KTMSLQUKLVNUOQ-WBVHZDCISA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)C[C@@H]2C=CCCC2)CC1 ZINC000948542351 613703942 /nfs/dbraw/zinc/70/39/42/613703942.db2.gz QNBMQNXTBAQHAX-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)C2(C)CCCCC2)CC1 ZINC000948743468 613704290 /nfs/dbraw/zinc/70/42/90/613704290.db2.gz VLOXFRGAGVXAIL-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2csc(C)c2C)C[C@H]1C ZINC000947343038 613760289 /nfs/dbraw/zinc/76/02/89/613760289.db2.gz NKCTXSOMXIKKID-BXUZGUMPSA-N 1 1 292.448 3.134 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(C3CC3)cc2)C1 ZINC000968674450 613773398 /nfs/dbraw/zinc/77/33/98/613773398.db2.gz QXLDPWNPMLVAMW-KBXCAEBGSA-N 1 1 298.430 3.190 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)[C@@H](C)C1 ZINC000945365235 613779611 /nfs/dbraw/zinc/77/96/11/613779611.db2.gz IQJHJXLIWDKHSQ-KBPBESRZSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccc3c(c2)CCO3)no1 ZINC000900012223 620744000 /nfs/dbraw/zinc/74/40/00/620744000.db2.gz RTPCVUPLYXYZPM-CYBMUJFWSA-N 1 1 285.347 3.028 20 30 CGEDMO C=CCCCCCCCNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000812493620 617832008 /nfs/dbraw/zinc/83/20/08/617832008.db2.gz PRYVRFLLNCSDTJ-UHFFFAOYSA-N 1 1 293.455 3.003 20 30 CGEDMO C#CC[C@H](Cc1ccccc1)Nc1cc(C)cc[nH+]1 ZINC000804807647 617848795 /nfs/dbraw/zinc/84/87/95/617848795.db2.gz JJCWLDSXKKMPCZ-MRXNPFEDSA-N 1 1 250.345 3.437 20 30 CGEDMO C#CC[C@@H](Cc1ccccc1)Nc1cc[nH+]cc1Cl ZINC000804807694 617849851 /nfs/dbraw/zinc/84/98/51/617849851.db2.gz KITYTMYJUFMDEG-AWEZNQCLSA-N 1 1 270.763 3.203 20 30 CGEDMO C=C(C)c1cccc(NC(=O)C[N@@H+](C)[C@H]2CCSC2)c1 ZINC000890890265 617891976 /nfs/dbraw/zinc/89/19/76/617891976.db2.gz NZKIKTVVNXUWGG-HNNXBMFYSA-N 1 1 290.432 3.096 20 30 CGEDMO C=C(C)c1cccc(NC(=O)C[N@H+](C)[C@H]2CCSC2)c1 ZINC000890890265 617891980 /nfs/dbraw/zinc/89/19/80/617891980.db2.gz NZKIKTVVNXUWGG-HNNXBMFYSA-N 1 1 290.432 3.096 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CCCCC2)C1 ZINC001021504862 618015151 /nfs/dbraw/zinc/01/51/51/618015151.db2.gz GCMJURDDHQGUGQ-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC2CCCC2)C1 ZINC001021508137 618016367 /nfs/dbraw/zinc/01/63/67/618016367.db2.gz GBZDCBIQALUYAK-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(CC)CC)C1 ZINC001021523556 618021915 /nfs/dbraw/zinc/02/19/15/618021915.db2.gz OAJRRUSDTKQVDE-IRXDYDNUSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CCOc1ccccc1C[NH2+]Cc1ccc(F)cc1F ZINC000050198633 618071891 /nfs/dbraw/zinc/07/18/91/618071891.db2.gz BRWVXIQNZJUUJO-UHFFFAOYSA-N 1 1 287.309 3.267 20 30 CGEDMO C#CC[N@H+](CC#Cc1ccc(F)cc1)C1CCCC1 ZINC000156842423 618148779 /nfs/dbraw/zinc/14/87/79/618148779.db2.gz WUVMFLVFBFAFMY-UHFFFAOYSA-N 1 1 255.336 3.055 20 30 CGEDMO C#CCC1([NH2+][C@@H](C)c2nc(Cc3ccccc3)no2)CCC1 ZINC000933299305 618196090 /nfs/dbraw/zinc/19/60/90/618196090.db2.gz SEZFBEZAPSTIRN-AWEZNQCLSA-N 1 1 295.386 3.257 20 30 CGEDMO C=CC[N@@H+](Cc1c2c(nn1C)CCC2)Cc1ccccc1 ZINC000891675205 618245527 /nfs/dbraw/zinc/24/55/27/618245527.db2.gz ONOZOWSAFMSSON-UHFFFAOYSA-N 1 1 281.403 3.097 20 30 CGEDMO C=CC[N@H+](Cc1c2c(nn1C)CCC2)Cc1ccccc1 ZINC000891675205 618245528 /nfs/dbraw/zinc/24/55/28/618245528.db2.gz ONOZOWSAFMSSON-UHFFFAOYSA-N 1 1 281.403 3.097 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1O[C@H](C)C(=O)OC)C(C)C ZINC000891675824 618245696 /nfs/dbraw/zinc/24/56/96/618245696.db2.gz YJJCIZUVUOFIMX-CQSZACIVSA-N 1 1 291.391 3.023 20 30 CGEDMO CCC(CC)[N@@H+](CCOC)Cc1csc(C#N)c1 ZINC000891678423 618245976 /nfs/dbraw/zinc/24/59/76/618245976.db2.gz UZCLETMQDUHBOP-UHFFFAOYSA-N 1 1 266.410 3.257 20 30 CGEDMO N#Cc1ccc([C@H]2C[N@@H+](CCc3cccs3)CCO2)cc1 ZINC000933625506 618265280 /nfs/dbraw/zinc/26/52/80/618265280.db2.gz VAEBIVHWDLEYML-QGZVFWFLSA-N 1 1 298.411 3.236 20 30 CGEDMO CC(C)[N@H+](Cc1csc(C#N)c1)Cc1ccccn1 ZINC000891744390 618273135 /nfs/dbraw/zinc/27/31/35/618273135.db2.gz RLPFHPVLHRXBTI-UHFFFAOYSA-N 1 1 271.389 3.425 20 30 CGEDMO CC(C)[N@@H+](Cc1csc(C#N)c1)Cc1ccccn1 ZINC000891744390 618273149 /nfs/dbraw/zinc/27/31/49/618273149.db2.gz RLPFHPVLHRXBTI-UHFFFAOYSA-N 1 1 271.389 3.425 20 30 CGEDMO Cc1ccc(C[N@@H+](C)Cc2cc(C#N)cs2)cc1C#N ZINC000933769831 618321765 /nfs/dbraw/zinc/32/17/65/618321765.db2.gz GLTFXYCHHDXBTK-UHFFFAOYSA-N 1 1 281.384 3.432 20 30 CGEDMO C[C@H](C#N)C[N@H+](Cc1ccc2c(c1)C[C@@H](C)O2)C1CC1 ZINC000892194059 618587756 /nfs/dbraw/zinc/58/77/56/618587756.db2.gz JNKBUGHCIWNOJO-CHWSQXEVSA-N 1 1 270.376 3.134 20 30 CGEDMO C[C@H](C#N)C[N@@H+](Cc1ccc2c(c1)C[C@@H](C)O2)C1CC1 ZINC000892194059 618587765 /nfs/dbraw/zinc/58/77/65/618587765.db2.gz JNKBUGHCIWNOJO-CHWSQXEVSA-N 1 1 270.376 3.134 20 30 CGEDMO COc1c(C)c[nH+]c(CN(CCC#N)CC(C)C)c1C ZINC000043419671 618593921 /nfs/dbraw/zinc/59/39/21/618593921.db2.gz RYQFCZWHFBCCIZ-UHFFFAOYSA-N 1 1 275.396 3.079 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1C[C@@H](O)c1ccc(Cl)cc1 ZINC000934466241 618625445 /nfs/dbraw/zinc/62/54/45/618625445.db2.gz ZBOWTNHFLWZCGM-ZIAGYGMSSA-N 1 1 251.757 3.024 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000934467967 618626223 /nfs/dbraw/zinc/62/62/23/618626223.db2.gz WZPJOFOBFJZGJV-HNNXBMFYSA-N 1 1 253.349 3.023 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1ccc(C)cc1C ZINC000934469606 618626753 /nfs/dbraw/zinc/62/67/53/618626753.db2.gz FTMNIPROADFXBH-HUUCEWRRSA-N 1 1 272.392 3.281 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1cccc(C(=O)NCC(C)C)c1 ZINC000934469526 618627036 /nfs/dbraw/zinc/62/70/36/618627036.db2.gz VJNIAQUXXPVNNY-KRWDZBQOSA-N 1 1 286.419 3.223 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1ccccc1SC ZINC000934473545 618628736 /nfs/dbraw/zinc/62/87/36/618628736.db2.gz XBMFXOKBNCDEFG-QWHCGFSZSA-N 1 1 290.432 3.386 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1ccccc1SC ZINC000934473545 618628738 /nfs/dbraw/zinc/62/87/38/618628738.db2.gz XBMFXOKBNCDEFG-QWHCGFSZSA-N 1 1 290.432 3.386 20 30 CGEDMO Cn1c2ccccc2[nH+]c1NCc1cc(C#N)ccc1F ZINC000179302972 618774517 /nfs/dbraw/zinc/77/45/17/618774517.db2.gz BCSCYKUHAWZFLE-UHFFFAOYSA-N 1 1 280.306 3.196 20 30 CGEDMO C[C@H](CC(C)(C)C#N)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000926707785 618832615 /nfs/dbraw/zinc/83/26/15/618832615.db2.gz VEKSXEJOJZLAMV-CABCVRRESA-N 1 1 277.456 3.311 20 30 CGEDMO C[C@H](CC(C)(C)C#N)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000926707785 618832618 /nfs/dbraw/zinc/83/26/18/618832618.db2.gz VEKSXEJOJZLAMV-CABCVRRESA-N 1 1 277.456 3.311 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)CC2=CCCCC2)C1 ZINC001006925854 618868627 /nfs/dbraw/zinc/86/86/27/618868627.db2.gz CBYAPVNQYHMTOP-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(OC)c(OCCCC)c1 ZINC000775184487 619006915 /nfs/dbraw/zinc/00/69/15/619006915.db2.gz WZVAKCTWPUKDJF-CQSZACIVSA-N 1 1 275.392 3.328 20 30 CGEDMO C=C(C)CC[N@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000775608931 619079762 /nfs/dbraw/zinc/07/97/62/619079762.db2.gz CFVDGFLRKBPBBX-UHFFFAOYSA-N 1 1 284.444 3.435 20 30 CGEDMO N#Cc1ccc(CN[C@@H](CCC[NH3+])c2ccccc2)c(F)c1 ZINC000925608711 619085654 /nfs/dbraw/zinc/08/56/54/619085654.db2.gz IDHSHRCYVACQII-SFHVURJKSA-N 1 1 297.377 3.267 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC000931365058 619153053 /nfs/dbraw/zinc/15/30/53/619153053.db2.gz GHSXVOGRVZJZBJ-ZDUSSCGKSA-N 1 1 255.365 3.318 20 30 CGEDMO COC(=O)C12CCC(CC1)[N@H+]2CCCCC1(C#N)CCC1 ZINC000931474375 619179422 /nfs/dbraw/zinc/17/94/22/619179422.db2.gz MEEAHRBEHCUROP-UHFFFAOYSA-N 1 1 290.407 3.021 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)c2cc3cc(C)ccc3o2)C1 ZINC001009628504 619182832 /nfs/dbraw/zinc/18/28/32/619182832.db2.gz PALXRRSRIOKLKQ-OAHLLOKOSA-N 1 1 298.386 3.121 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3cc(C)ccc3o2)C1 ZINC001009628504 619182835 /nfs/dbraw/zinc/18/28/35/619182835.db2.gz PALXRRSRIOKLKQ-OAHLLOKOSA-N 1 1 298.386 3.121 20 30 CGEDMO COCC1([N@@H+](C)Cc2cc(Cl)cc(C#N)c2)CCC1 ZINC000931622295 619218789 /nfs/dbraw/zinc/21/87/89/619218789.db2.gz JCRIVVRJUKUZBA-UHFFFAOYSA-N 1 1 278.783 3.213 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](Cc3nccs3)C2)cc1 ZINC000932203972 619309846 /nfs/dbraw/zinc/30/98/46/619309846.db2.gz NQXUBCGKZQLMLG-INIZCTEOSA-N 1 1 297.427 3.469 20 30 CGEDMO CC[N@H+](CCC#N)Cc1cc2c(cccc2O)s1 ZINC000893924887 619333671 /nfs/dbraw/zinc/33/36/71/619333671.db2.gz UEIGJOBRRRYYTA-UHFFFAOYSA-N 1 1 260.362 3.342 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1cc2c(cccc2O)s1 ZINC000893924887 619333673 /nfs/dbraw/zinc/33/36/73/619333673.db2.gz UEIGJOBRRRYYTA-UHFFFAOYSA-N 1 1 260.362 3.342 20 30 CGEDMO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1csc(C#N)c1 ZINC000894143105 619392194 /nfs/dbraw/zinc/39/21/94/619392194.db2.gz SCSRMJLFCBUFDM-GZMMTYOYSA-N 1 1 274.311 3.392 20 30 CGEDMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1csc(C#N)c1 ZINC000894143105 619392196 /nfs/dbraw/zinc/39/21/96/619392196.db2.gz SCSRMJLFCBUFDM-GZMMTYOYSA-N 1 1 274.311 3.392 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C)CCCN(C)C(=O)OC(C)(C)C ZINC000877591081 619412260 /nfs/dbraw/zinc/41/22/60/619412260.db2.gz ONUJGJIHDKRUKL-AWEZNQCLSA-N 1 1 297.443 3.115 20 30 CGEDMO CCCCCCCCCC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000104188506 619416518 /nfs/dbraw/zinc/41/65/18/619416518.db2.gz WIQDMCNJNMTHRK-HNNXBMFYSA-N 1 1 268.445 3.195 20 30 CGEDMO C[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000877813375 619417817 /nfs/dbraw/zinc/41/78/17/619417817.db2.gz YJMAZQCBFMVFSD-NSHDSACASA-N 1 1 274.311 3.394 20 30 CGEDMO C[C@H]([NH2+]CCCCC#N)C(F)(F)c1ccccc1 ZINC000924940900 619454068 /nfs/dbraw/zinc/45/40/68/619454068.db2.gz BIZDWSCAWWUDGQ-LBPRGKRZSA-N 1 1 252.308 3.450 20 30 CGEDMO C=CC[C@@H]([NH2+][C@@H](C)c1cn(C(C)C)nn1)c1ccncc1 ZINC000925075506 619569068 /nfs/dbraw/zinc/56/90/68/619569068.db2.gz OZKVKUBHXVOFHJ-DZGCQCFKSA-N 1 1 285.395 3.222 20 30 CGEDMO COc1ccc(N[NH+]=C(C)c2cc(F)c(N)c(F)c2)cc1 ZINC000814885024 619738703 /nfs/dbraw/zinc/73/87/03/619738703.db2.gz JIGLWEVUQPDWFE-UHFFFAOYSA-N 1 1 291.301 3.392 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2cnn(C3CCC3)c2)C1 ZINC000895337765 619807389 /nfs/dbraw/zinc/80/73/89/619807389.db2.gz LKESRAWSEVEBOI-AWEZNQCLSA-N 1 1 259.397 3.396 20 30 CGEDMO C=C(C)C[C@@H]([NH2+]CCC(C)(C)SC)C(=O)OCC ZINC000895598128 619856301 /nfs/dbraw/zinc/85/63/01/619856301.db2.gz NKZIODROHIWWBZ-GFCCVEGCSA-N 1 1 273.442 3.006 20 30 CGEDMO C[C@@H]1C[C@@H](Nc2ccc(C3CC3)c(C#N)c2)CC[N@H+]1C ZINC000895639650 619862927 /nfs/dbraw/zinc/86/29/27/619862927.db2.gz OECZIJYDYSBYGT-WBMJQRKESA-N 1 1 269.392 3.330 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000895717522 619874566 /nfs/dbraw/zinc/87/45/66/619874566.db2.gz SCSYGJMFHRDHJM-WBVHZDCISA-N 1 1 278.440 3.455 20 30 CGEDMO CC#CC[N@@H+](C)Cc1sc2nc(C)nc(C)c2c1C ZINC000897167098 620153930 /nfs/dbraw/zinc/15/39/30/620153930.db2.gz WNQGOBNELKBYHE-UHFFFAOYSA-N 1 1 273.405 3.072 20 30 CGEDMO CC#CC[N@H+](C)Cc1cnc(-c2cccs2)s1 ZINC000897167866 620153980 /nfs/dbraw/zinc/15/39/80/620153980.db2.gz VBDBZFHAZXXTDO-UHFFFAOYSA-N 1 1 262.403 3.327 20 30 CGEDMO CC#CC[N@@H+](C)Cc1cnc(-c2cccs2)s1 ZINC000897167866 620153982 /nfs/dbraw/zinc/15/39/82/620153982.db2.gz VBDBZFHAZXXTDO-UHFFFAOYSA-N 1 1 262.403 3.327 20 30 CGEDMO CC#CC[N@H+](C)Cc1ccc(CSC(F)F)o1 ZINC000897166557 620154046 /nfs/dbraw/zinc/15/40/46/620154046.db2.gz QTQFIISFNIXLSP-UHFFFAOYSA-N 1 1 259.321 3.191 20 30 CGEDMO CC#CC[N@@H+](C)Cc1ccc(CSC(F)F)o1 ZINC000897166557 620154048 /nfs/dbraw/zinc/15/40/48/620154048.db2.gz QTQFIISFNIXLSP-UHFFFAOYSA-N 1 1 259.321 3.191 20 30 CGEDMO C=CC[C@@H]([NH2+][C@H](C)c1cc2n(n1)CCC2)c1ccncc1 ZINC000840723272 620205353 /nfs/dbraw/zinc/20/53/53/620205353.db2.gz PIXGVGQJHKPSAE-CZUORRHYSA-N 1 1 282.391 3.192 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)CC2CC(C)(C)C2)CC1 ZINC000985597025 620219971 /nfs/dbraw/zinc/21/99/71/620219971.db2.gz WCWUHEGDPRSJAU-UHFFFAOYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)c2csc(C)c2)CC1 ZINC000985702874 620230200 /nfs/dbraw/zinc/23/02/00/620230200.db2.gz WWILDWCKXJAWBM-UHFFFAOYSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)C[C@H](C)C2CC2)CC1 ZINC000985807483 620240857 /nfs/dbraw/zinc/24/08/57/620240857.db2.gz WNWQVKNZZARNOU-LBPRGKRZSA-N 1 1 298.858 3.098 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000179707951 620281217 /nfs/dbraw/zinc/28/12/17/620281217.db2.gz BQAGAOHGELPZQB-GOSISDBHSA-N 1 1 294.398 3.374 20 30 CGEDMO N#Cc1ccc([C@H]2C[N@@H+](C[C@H]3CC=CCC3)CCO2)cc1 ZINC000897590750 620405577 /nfs/dbraw/zinc/40/55/77/620405577.db2.gz AFLGLYCDRZJPEZ-FUHWJXTLSA-N 1 1 282.387 3.288 20 30 CGEDMO Cc1cc2c(c(C)c1)[C@@H]([NH2+]Cc1nc(C#N)cs1)CC2 ZINC000897628946 620414058 /nfs/dbraw/zinc/41/40/58/620414058.db2.gz DKNQNUSKGVHUIW-AWEZNQCLSA-N 1 1 283.400 3.409 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1c[nH]nc1-c1cccnc1 ZINC000898245340 620496422 /nfs/dbraw/zinc/49/64/22/620496422.db2.gz ADAYZBLMMOBNTM-UHFFFAOYSA-N 1 1 270.380 3.260 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000929162113 620518084 /nfs/dbraw/zinc/51/80/84/620518084.db2.gz HRBDCMLBPZFLRH-KBPBESRZSA-N 1 1 298.308 3.100 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)c2ccc(C)cc2C)CC1 ZINC000989592027 620518689 /nfs/dbraw/zinc/51/86/89/620518689.db2.gz NBFBWUDVQKXMDN-UHFFFAOYSA-N 1 1 286.419 3.027 20 30 CGEDMO C=C(Cl)C[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000084496746 620521982 /nfs/dbraw/zinc/52/19/82/620521982.db2.gz CFQWTXAZEBNBRI-OAHLLOKOSA-N 1 1 265.784 3.073 20 30 CGEDMO C=C(Cl)C[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000084496746 620521983 /nfs/dbraw/zinc/52/19/83/620521983.db2.gz CFQWTXAZEBNBRI-OAHLLOKOSA-N 1 1 265.784 3.073 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)c2cccc(C3CC3)c2)CC1 ZINC000989754424 620524441 /nfs/dbraw/zinc/52/44/41/620524441.db2.gz LLNAHXPWECCULN-UHFFFAOYSA-N 1 1 298.430 3.288 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)CC2CCC(C)(C)CC2)CC1 ZINC000989813373 620525087 /nfs/dbraw/zinc/52/50/87/620525087.db2.gz HHPXMALMTVIRAT-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)c3ccsc3)CCC[C@H]12 ZINC000989940302 620532352 /nfs/dbraw/zinc/53/23/52/620532352.db2.gz RWNNDPTVONUGOK-GOEBONIOSA-N 1 1 290.432 3.051 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC=CCC3)CCC[C@H]12 ZINC000989946257 620533331 /nfs/dbraw/zinc/53/33/31/620533331.db2.gz YLBCYYDSHWWOSP-XYJFISCASA-N 1 1 288.435 3.032 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2scc(C)c2Cl)C1 ZINC001014538915 620543606 /nfs/dbraw/zinc/54/36/06/620543606.db2.gz GMMKXJNOJRDTQC-NSHDSACASA-N 1 1 298.839 3.090 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)C3CC(C)(C)C3)CCC[C@@H]12 ZINC000990545761 620553717 /nfs/dbraw/zinc/55/37/17/620553717.db2.gz QEJZLALQMBGKTJ-QAPCUYQASA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)C(C)=C3CCC3)CCC[C@@H]12 ZINC000990608877 620556781 /nfs/dbraw/zinc/55/67/81/620556781.db2.gz AHDXAAOMURRSTI-AEFFLSMTSA-N 1 1 288.435 3.176 20 30 CGEDMO Cc1sc(NC(=O)[C@H]2CCC[N@H+]2C(C)C)c(C#N)c1C ZINC000901290643 620855324 /nfs/dbraw/zinc/85/53/24/620855324.db2.gz XRUCXUVOOMFCQV-CYBMUJFWSA-N 1 1 291.420 3.048 20 30 CGEDMO Cc1sc(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)c(C#N)c1C ZINC000901290643 620855325 /nfs/dbraw/zinc/85/53/25/620855325.db2.gz XRUCXUVOOMFCQV-CYBMUJFWSA-N 1 1 291.420 3.048 20 30 CGEDMO C=CCCC[N@@H+](CC)Cn1c2c(sc1=O)C[C@@H](C)CC2 ZINC000902668413 621396260 /nfs/dbraw/zinc/39/62/60/621396260.db2.gz AAGGFMHYDPVAJP-ZDUSSCGKSA-N 1 1 294.464 3.280 20 30 CGEDMO C=CCCC[N@H+](CC)Cn1c2c(sc1=O)C[C@@H](C)CC2 ZINC000902668413 621396263 /nfs/dbraw/zinc/39/62/63/621396263.db2.gz AAGGFMHYDPVAJP-ZDUSSCGKSA-N 1 1 294.464 3.280 20 30 CGEDMO CC[C@@H](NCC[N@@H+]1CCC[C@@H]1C)c1cccc(C#N)c1 ZINC000902825357 621457113 /nfs/dbraw/zinc/45/71/13/621457113.db2.gz LWRWDASRKYCHMA-WMLDXEAASA-N 1 1 271.408 3.083 20 30 CGEDMO CC[C@@H](NCC[N@H+]1CCC[C@@H]1C)c1cccc(C#N)c1 ZINC000902825357 621457122 /nfs/dbraw/zinc/45/71/22/621457122.db2.gz LWRWDASRKYCHMA-WMLDXEAASA-N 1 1 271.408 3.083 20 30 CGEDMO C=CCC[C@H]([NH2+][C@H](C)c1cn(C)nn1)c1ccccc1 ZINC000902881214 621482435 /nfs/dbraw/zinc/48/24/35/621482435.db2.gz GSUWLALQQNCASB-HIFRSBDPSA-N 1 1 270.380 3.173 20 30 CGEDMO C[C@H]([NH2+][C@@H]1CCOc2c(F)cccc21)c1cc(C#N)ccn1 ZINC000902965928 621500464 /nfs/dbraw/zinc/50/04/64/621500464.db2.gz AMQBEAYXGQMKMA-XHDPSFHLSA-N 1 1 297.333 3.267 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CCC1)c1cncc(Br)c1 ZINC000903035013 621536753 /nfs/dbraw/zinc/53/67/53/621536753.db2.gz HKMGBWBFULFDHV-JTQLQIEISA-N 1 1 294.196 3.189 20 30 CGEDMO Cc1cccc(C2=CC[N@@H+](CCO[C@@H](C)C#N)CC2)c1 ZINC000801940254 621544559 /nfs/dbraw/zinc/54/45/59/621544559.db2.gz LWVKWRRCAKTFHI-HNNXBMFYSA-N 1 1 270.376 3.013 20 30 CGEDMO COc1ccc2c(c1)[C@@H]([NH2+]CC(C)(C)C#N)CCCO2 ZINC000903099918 621572616 /nfs/dbraw/zinc/57/26/16/621572616.db2.gz BYXGGFCVPHUENK-AWEZNQCLSA-N 1 1 274.364 3.048 20 30 CGEDMO CC(C)(C#N)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000903101835 621574007 /nfs/dbraw/zinc/57/40/07/621574007.db2.gz NKOMEHFLVMZBEL-AWEZNQCLSA-N 1 1 273.336 3.112 20 30 CGEDMO CC[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(F)cc1O ZINC000903263416 621648541 /nfs/dbraw/zinc/64/85/41/621648541.db2.gz NAYZPDIHHRIWDE-LBPRGKRZSA-N 1 1 291.351 3.100 20 30 CGEDMO CC[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc2c(c1)CCO2 ZINC000903264023 621649069 /nfs/dbraw/zinc/64/90/69/621649069.db2.gz QKQGATUSJJHADZ-CQSZACIVSA-N 1 1 299.399 3.191 20 30 CGEDMO C[N@H+]1CC[C@H](Nc2ccc(CCC#N)cc2)[C@H]2CCC[C@@H]21 ZINC000903294960 621664351 /nfs/dbraw/zinc/66/43/51/621664351.db2.gz ZZHAZYIPJASPKV-SQNIBIBYSA-N 1 1 283.419 3.427 20 30 CGEDMO C=CCC[C@H](C)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000903381281 621722151 /nfs/dbraw/zinc/72/21/51/621722151.db2.gz UTZIWUKAQMTVMK-HOCLYGCPSA-N 1 1 261.413 3.019 20 30 CGEDMO C[C@@H]1CC[C@H](CN)[N@@H+](CCCCC2(C#N)CCC2)[C@@H]1C ZINC000903782451 621807018 /nfs/dbraw/zinc/80/70/18/621807018.db2.gz NHTXIGWYXFDMTC-BZUAXINKSA-N 1 1 277.456 3.298 20 30 CGEDMO C[C@@H]1CC[C@H](C[NH3+])N(CCCCC2(C#N)CCC2)[C@@H]1C ZINC000903782451 621807021 /nfs/dbraw/zinc/80/70/21/621807021.db2.gz NHTXIGWYXFDMTC-BZUAXINKSA-N 1 1 277.456 3.298 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(COCc2ccccc2)no1 ZINC000904588697 621937905 /nfs/dbraw/zinc/93/79/05/621937905.db2.gz VGFBUDMTFPVTAI-CQSZACIVSA-N 1 1 287.363 3.143 20 30 CGEDMO CC(C)[C@@H]1[N@@H+](C[C@H](O)CC2(C#N)CCC2)CC12CCCC2 ZINC000905959453 622132729 /nfs/dbraw/zinc/13/27/29/622132729.db2.gz YCKRWUJQYFSTIO-CVEARBPZSA-N 1 1 290.451 3.332 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2cc(F)c(F)cc2F)cc1 ZINC000225257126 622903865 /nfs/dbraw/zinc/90/38/65/622903865.db2.gz HSWMOEDSADIWQF-UHFFFAOYSA-N 1 1 276.261 3.265 20 30 CGEDMO CCc1nc(CO[NH+]=C(N)C2CCCCC2)cs1 ZINC000063458757 623326615 /nfs/dbraw/zinc/32/66/15/623326615.db2.gz RBPLVOAGYCMMMF-UHFFFAOYSA-N 1 1 267.398 3.075 20 30 CGEDMO C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1cncc(C#N)c1 ZINC000929653860 623496346 /nfs/dbraw/zinc/49/63/46/623496346.db2.gz HSLRMKOQWQMTFM-KBXCAEBGSA-N 1 1 277.371 3.331 20 30 CGEDMO CC1(C)C[N@@H+](Cc2cc(Cl)cc(C#N)c2)CCCO1 ZINC000929666396 623499575 /nfs/dbraw/zinc/49/95/75/623499575.db2.gz BAKBWKVQEZAPPH-UHFFFAOYSA-N 1 1 278.783 3.213 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCc1ccns1 ZINC000929757540 623577472 /nfs/dbraw/zinc/57/74/72/623577472.db2.gz SJCCUKHOAPQQPC-IAGOWNOFSA-N 1 1 297.427 3.457 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCc1ccns1 ZINC000929757540 623577482 /nfs/dbraw/zinc/57/74/82/623577482.db2.gz SJCCUKHOAPQQPC-IAGOWNOFSA-N 1 1 297.427 3.457 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2sccc2C)[C@H]1C ZINC000992980018 623767024 /nfs/dbraw/zinc/76/70/24/623767024.db2.gz HSYCWWBYIPFMSS-KGLIPLIRSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2sccc2C)[C@@H]1C ZINC000992982095 623770158 /nfs/dbraw/zinc/77/01/58/623770158.db2.gz MGJUFYUWDLNBEX-KBPBESRZSA-N 1 1 292.448 3.215 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000929827713 623800150 /nfs/dbraw/zinc/80/01/50/623800150.db2.gz VQPNNVIKYNODCU-SJLPKXTDSA-N 1 1 284.403 3.176 20 30 CGEDMO Cc1[nH+]c(C=NNc2cccc(C)c2)c2ccccn12 ZINC000914601593 623834231 /nfs/dbraw/zinc/83/42/31/623834231.db2.gz XWGIFFOTGIGTKI-UHFFFAOYSA-N 1 1 264.332 3.397 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C=C2CCCCC2)[C@H]1C ZINC000993110535 623843427 /nfs/dbraw/zinc/84/34/27/623843427.db2.gz UBPPXSLANTZCGH-WBVHZDCISA-N 1 1 290.451 3.422 20 30 CGEDMO Cc1cc(C)cc(N[NH+]=Cc2cnc(N3CCCC3)nc2)c1 ZINC000914773583 623859002 /nfs/dbraw/zinc/85/90/02/623859002.db2.gz XQICGRPEEDPLGN-UHFFFAOYSA-N 1 1 295.390 3.140 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)CC2=CCCCC2)[C@@H]1C ZINC000993143437 623867738 /nfs/dbraw/zinc/86/77/38/623867738.db2.gz SGGVHEOWKNSADQ-HOCLYGCPSA-N 1 1 276.424 3.032 20 30 CGEDMO C(=[NH+]OC[C@H]1CCOC1)c1ccc(N2CCCCC2)s1 ZINC000788033772 623881252 /nfs/dbraw/zinc/88/12/52/623881252.db2.gz MEUWAQFMDUOPAC-ZDUSSCGKSA-N 1 1 294.420 3.125 20 30 CGEDMO C[C@H](C/N=C/c1ccccc1O)[N@H+]1CCCC[C@H]1C ZINC000915270895 623935838 /nfs/dbraw/zinc/93/58/38/623935838.db2.gz DYUOOYUWNUIJQN-CNIAIOPBSA-N 1 1 260.381 3.074 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C2=CCCCCC2)[C@H]1C ZINC000993290986 623999727 /nfs/dbraw/zinc/99/97/27/623999727.db2.gz BYUZBCHWKOSDAS-NVXWUHKLSA-N 1 1 290.451 3.422 20 30 CGEDMO CCCCCCCCC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000915634455 624014688 /nfs/dbraw/zinc/01/46/88/624014688.db2.gz YPMMOGWLDRCFHV-CVEARBPZSA-N 1 1 280.456 3.480 20 30 CGEDMO CCCCCCCC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000915627079 624015949 /nfs/dbraw/zinc/01/59/49/624015949.db2.gz AFSVBSGOBJYAQR-OAHLLOKOSA-N 1 1 268.445 3.338 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C2(F)CCCC2)[C@@H]1C ZINC000993504479 624051701 /nfs/dbraw/zinc/05/17/01/624051701.db2.gz RDQGGODDHBGZQV-GJZGRUSLSA-N 1 1 296.430 3.204 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCCF)[C@H]2C)CC1 ZINC000993737824 624060240 /nfs/dbraw/zinc/06/02/40/624060240.db2.gz BRKXGIDLSGMXLT-GOEBONIOSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C2CCC(=C)CC2)[C@H]1C ZINC000993777458 624062410 /nfs/dbraw/zinc/06/24/10/624062410.db2.gz QRVBWEFHBQCTPA-NVXWUHKLSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2csc(C)c2)[C@@H]1C ZINC000993996176 624067710 /nfs/dbraw/zinc/06/77/10/624067710.db2.gz QQTGKYWYRGHGFJ-ZFWWWQNUSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C)cc2)[C@@H]1C ZINC000994274034 624196899 /nfs/dbraw/zinc/19/68/99/624196899.db2.gz GUNOVKHGBHWEFO-DOTOQJQBSA-N 1 1 286.419 3.154 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C2CCC=CCC2)[C@@H]1C ZINC000994447066 624225743 /nfs/dbraw/zinc/22/57/43/624225743.db2.gz BATBQPWKWBUTSU-RDJZCZTQSA-N 1 1 290.451 3.278 20 30 CGEDMO CCCCc1oc2ccccc2c1C=NN1CC[NH+](C)CC1 ZINC000917208991 624250986 /nfs/dbraw/zinc/25/09/86/624250986.db2.gz INVWUQNMCWXCSS-UHFFFAOYSA-N 1 1 299.418 3.357 20 30 CGEDMO C[N@@H+](CCSCc1cncc(C#N)c1)Cc1ccccc1 ZINC000917587750 624297660 /nfs/dbraw/zinc/29/76/60/624297660.db2.gz JNEVYDLUJAAKHN-UHFFFAOYSA-N 1 1 297.427 3.318 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](C)Cc1cccnc1 ZINC000930090772 624418054 /nfs/dbraw/zinc/41/80/54/624418054.db2.gz YAJZCZSTDFHXDR-UHFFFAOYSA-N 1 1 265.360 3.202 20 30 CGEDMO Cc1[nH+]c(C=NNc2cc(F)cc(F)c2)c2ccccn12 ZINC000920375458 624484143 /nfs/dbraw/zinc/48/41/43/624484143.db2.gz ZUERHGWYGMEEST-UHFFFAOYSA-N 1 1 286.285 3.367 20 30 CGEDMO C=C(Cl)C[N@H+](Cc1ccc(OC)cc1)[C@H](CO)C(C)C ZINC000179924086 624699452 /nfs/dbraw/zinc/69/94/52/624699452.db2.gz DTMQVSSKNDIFLE-MRXNPFEDSA-N 1 1 297.826 3.267 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)C2=CCCCCC2)CC1 ZINC001000622534 625879112 /nfs/dbraw/zinc/87/91/12/625879112.db2.gz ZXIWPISXHXMOBY-UHFFFAOYSA-N 1 1 288.435 3.201 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H]2CC[C@@H](C)C2)CC1 ZINC001001907569 625905938 /nfs/dbraw/zinc/90/59/38/625905938.db2.gz HLKZTRXCDPERFD-DOMZBBRYSA-N 1 1 298.858 3.003 20 30 CGEDMO Cc1ccc(C[NH2+]Cc2nc3c(s2)CCCC3)cc1C#N ZINC000922759317 626043177 /nfs/dbraw/zinc/04/31/77/626043177.db2.gz NCIFAHJBHDRZTG-UHFFFAOYSA-N 1 1 297.427 3.492 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)C2(C)CC(=C)C2)CC1 ZINC001005933455 626132907 /nfs/dbraw/zinc/13/29/07/626132907.db2.gz XJBBLVMEOVCXTG-UHFFFAOYSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CCC(CC=C)C(=O)OC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000842833080 626230447 /nfs/dbraw/zinc/23/04/47/626230447.db2.gz XZOKOIRMYNISPZ-HNNXBMFYSA-N 1 1 279.424 3.418 20 30 CGEDMO C=CCC(CC=C)C(=O)OC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000842833082 626230691 /nfs/dbraw/zinc/23/06/91/626230691.db2.gz XZOKOIRMYNISPZ-OAHLLOKOSA-N 1 1 279.424 3.418 20 30 CGEDMO C=C(Cl)C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000839050633 626301423 /nfs/dbraw/zinc/30/14/23/626301423.db2.gz LYNZVOJHOITRMM-UHFFFAOYSA-N 1 1 277.795 3.303 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)Cc1ccc2c(n1)CCC2 ZINC000839094063 626312999 /nfs/dbraw/zinc/31/29/99/626312999.db2.gz OVPJGQIYPDDOOM-UHFFFAOYSA-N 1 1 276.383 3.206 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc2c(n1)CCC2 ZINC000839094063 626313002 /nfs/dbraw/zinc/31/30/02/626313002.db2.gz OVPJGQIYPDDOOM-UHFFFAOYSA-N 1 1 276.383 3.206 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000839149827 626317475 /nfs/dbraw/zinc/31/74/75/626317475.db2.gz SPDVTMWHGVHFBI-NSHDSACASA-N 1 1 297.748 3.420 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000839149827 626317478 /nfs/dbraw/zinc/31/74/78/626317478.db2.gz SPDVTMWHGVHFBI-NSHDSACASA-N 1 1 297.748 3.420 20 30 CGEDMO N#Cc1cccc(N=NC2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000839411683 626346087 /nfs/dbraw/zinc/34/60/87/626346087.db2.gz HIOITAHIHYJSAO-UHFFFAOYSA-N 1 1 290.370 3.232 20 30 CGEDMO c1ccc(CON=C2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000839422698 626347661 /nfs/dbraw/zinc/34/76/61/626347661.db2.gz AXRAUVVPQRITTK-UHFFFAOYSA-N 1 1 280.371 3.465 20 30 CGEDMO c1ccc(CON=C2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000839422698 626347663 /nfs/dbraw/zinc/34/76/63/626347663.db2.gz AXRAUVVPQRITTK-UHFFFAOYSA-N 1 1 280.371 3.465 20 30 CGEDMO CCCCCCNC(=O)[C@H]1CCC[N@H+]([C@@H](C)CCC#N)C1 ZINC000839475680 626354384 /nfs/dbraw/zinc/35/43/84/626354384.db2.gz DKSCQDJHAWMBEU-HOTGVXAUSA-N 1 1 293.455 3.087 20 30 CGEDMO C=C(Cl)C[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000103479861 626355309 /nfs/dbraw/zinc/35/53/09/626355309.db2.gz PKUGNGXAJTZIIX-HNNXBMFYSA-N 1 1 265.784 3.111 20 30 CGEDMO CC1(C)CCCC(=[NH+]n2cc(Br)cn2)C1 ZINC000752745998 626437192 /nfs/dbraw/zinc/43/71/92/626437192.db2.gz GBJPPPGVRAKBLR-UHFFFAOYSA-N 1 1 270.174 3.450 20 30 CGEDMO C[C@H]1CC(N=Nc2cccc(Cl)c2)C[N@H+]1C1CC1 ZINC000753954711 626470218 /nfs/dbraw/zinc/47/02/18/626470218.db2.gz GBZRJGUQVOHTLR-JTQLQIEISA-N 1 1 263.772 3.365 20 30 CGEDMO CCc1[nH+]c(CN=Nc2ncccc2Cl)c2ccccn21 ZINC000755654192 626634226 /nfs/dbraw/zinc/63/42/26/626634226.db2.gz GSXIYTYNUNZYCQ-UHFFFAOYSA-N 1 1 299.765 3.391 20 30 CGEDMO N#CC1(CC[N@@H+]2CCC[C@@H]2c2ncc[nH]2)CCCCC1 ZINC000839534878 626758927 /nfs/dbraw/zinc/75/89/27/626758927.db2.gz FQAASRJJNIQIBR-CQSZACIVSA-N 1 1 272.396 3.411 20 30 CGEDMO N#CC1(CC[N@H+]2CCC[C@@H]2c2ncc[nH]2)CCCCC1 ZINC000839534878 626758930 /nfs/dbraw/zinc/75/89/30/626758930.db2.gz FQAASRJJNIQIBR-CQSZACIVSA-N 1 1 272.396 3.411 20 30 CGEDMO C=C(Cl)C[NH2+]C1(c2cccc(OC)c2F)CCOCC1 ZINC000839586299 626766010 /nfs/dbraw/zinc/76/60/10/626766010.db2.gz LSDUXQZKOJGHOA-UHFFFAOYSA-N 1 1 299.773 3.182 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000839677340 626778089 /nfs/dbraw/zinc/77/80/89/626778089.db2.gz RRHANVXGPFZIHF-CQSZACIVSA-N 1 1 258.340 3.319 20 30 CGEDMO C[C@@H]1CC(N=Nc2ccc(F)cn2)C[N@H+]1Cc1ccccc1 ZINC000757573657 626789258 /nfs/dbraw/zinc/78/92/58/626789258.db2.gz DHDXUZFKJYZIIC-CYBMUJFWSA-N 1 1 298.365 3.283 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000757904846 626813015 /nfs/dbraw/zinc/81/30/15/626813015.db2.gz MWBVXEGKPQRQQL-UHFFFAOYSA-N 1 1 272.392 3.430 20 30 CGEDMO C=C(C)C[N@@H+](CC)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000759844349 626925879 /nfs/dbraw/zinc/92/58/79/626925879.db2.gz MQFLKLOVDPEIPW-CQSZACIVSA-N 1 1 271.763 3.411 20 30 CGEDMO CC(C)C[N@@H+](CCN1CCCC1)Cc1ccc(C#N)cc1 ZINC000760819403 626993916 /nfs/dbraw/zinc/99/39/16/626993916.db2.gz KZTDSIRAPDHOPN-UHFFFAOYSA-N 1 1 285.435 3.112 20 30 CGEDMO CC(C)CN(CC[NH+]1CCCC1)Cc1ccc(C#N)cc1 ZINC000760819403 626993918 /nfs/dbraw/zinc/99/39/18/626993918.db2.gz KZTDSIRAPDHOPN-UHFFFAOYSA-N 1 1 285.435 3.112 20 30 CGEDMO C#CCC[N@H+](C)Cc1cc(Br)ccc1F ZINC000764232909 627200878 /nfs/dbraw/zinc/20/08/78/627200878.db2.gz KKTTUYAMUYBLAQ-UHFFFAOYSA-N 1 1 270.145 3.043 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@@H](C)[C@@H]1CNC(=O)OC(C)(C)C ZINC000764974882 627234897 /nfs/dbraw/zinc/23/48/97/627234897.db2.gz ILKXFSHJXUPJMF-CABCVRRESA-N 1 1 294.439 3.025 20 30 CGEDMO C=CCCC[N@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000765004569 627235906 /nfs/dbraw/zinc/23/59/06/627235906.db2.gz YCWROUQUNFPWAT-UHFFFAOYSA-N 1 1 288.351 3.108 20 30 CGEDMO Brc1ccccc1N=NC1CC[N@H+]2CCC[C@H]12 ZINC000765573084 627260212 /nfs/dbraw/zinc/26/02/12/627260212.db2.gz SEAZRDDHZUSEIQ-CYBMUJFWSA-N 1 1 294.196 3.085 20 30 CGEDMO CCCCCCCC(=O)N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC000765931337 627279497 /nfs/dbraw/zinc/27/94/97/627279497.db2.gz SMWHQHOAUMXRSR-CABCVRRESA-N 1 1 268.445 3.288 20 30 CGEDMO CCCCCCCC(=O)N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC000765931340 627279509 /nfs/dbraw/zinc/27/95/09/627279509.db2.gz SMWHQHOAUMXRSR-HUUCEWRRSA-N 1 1 268.445 3.288 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1c(O)ccc2ccc(OC)cc21 ZINC000766665475 627351648 /nfs/dbraw/zinc/35/16/48/627351648.db2.gz HCWGIPAQCAEEFG-GFCCVEGCSA-N 1 1 269.344 3.008 20 30 CGEDMO C#CCCC[N@H+](C)CCOc1ccccc1Cl ZINC000766897048 627365479 /nfs/dbraw/zinc/36/54/79/627365479.db2.gz WTAODEQRQNNDSV-UHFFFAOYSA-N 1 1 251.757 3.064 20 30 CGEDMO C#CCCC[N@@H+](C)CCCOc1ccc(Cl)cc1 ZINC000766894914 627367007 /nfs/dbraw/zinc/36/70/07/627367007.db2.gz GVEXBXYPXOGKIY-UHFFFAOYSA-N 1 1 265.784 3.454 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc(C)c1 ZINC000767913126 627443796 /nfs/dbraw/zinc/44/37/96/627443796.db2.gz REEGHQLJQRRBKR-LJQANCHMSA-N 1 1 279.383 3.164 20 30 CGEDMO C=CC[N@H+](Cc1ccc(O[C@@H](C)C(=O)OC)cc1)C(C)C ZINC000768552745 627486610 /nfs/dbraw/zinc/48/66/10/627486610.db2.gz YVJDIAPYPFGRNQ-AWEZNQCLSA-N 1 1 291.391 3.023 20 30 CGEDMO C[N@@H+](CCOc1cccc(C#N)c1)Cc1cc(C#N)cs1 ZINC000769326879 627541927 /nfs/dbraw/zinc/54/19/27/627541927.db2.gz QGZCBOZOTGUGAM-UHFFFAOYSA-N 1 1 297.383 3.002 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC[C@H]2C2CC2)cc1 ZINC000769330935 627542665 /nfs/dbraw/zinc/54/26/65/627542665.db2.gz SBBSCFBWITWUBS-KRWDZBQOSA-N 1 1 255.361 3.073 20 30 CGEDMO C#CCOc1ccccc1C[NH+]1Cc2ccccc2C1 ZINC000769336755 627543724 /nfs/dbraw/zinc/54/37/24/627543724.db2.gz AHTZNEASRGTPNW-UHFFFAOYSA-N 1 1 263.340 3.214 20 30 CGEDMO C[N@@H+](CCOc1ccccc1C#N)Cc1cc(C#N)cs1 ZINC000769385649 627547806 /nfs/dbraw/zinc/54/78/06/627547806.db2.gz ZDYJJHGWXPYIKW-UHFFFAOYSA-N 1 1 297.383 3.002 20 30 CGEDMO C#CC[N@@H+](CC#CC)Cc1cccc(-c2cccnc2)c1 ZINC000769450844 627554168 /nfs/dbraw/zinc/55/41/68/627554168.db2.gz BFEVMZOJYFIHQV-UHFFFAOYSA-N 1 1 274.367 3.207 20 30 CGEDMO C#CC[N@H+](CC#CC)Cc1cccc(-c2cccnc2)c1 ZINC000769450844 627554170 /nfs/dbraw/zinc/55/41/70/627554170.db2.gz BFEVMZOJYFIHQV-UHFFFAOYSA-N 1 1 274.367 3.207 20 30 CGEDMO CO[C@@H](C)C[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)C(C)C ZINC000769473945 627557821 /nfs/dbraw/zinc/55/78/21/627557821.db2.gz QOTBAARDQBKZHE-CABCVRRESA-N 1 1 290.407 3.223 20 30 CGEDMO C#CC[N@@H+](Cc1cccc2c1OCCCO2)C1CCCC1 ZINC000769529852 627563166 /nfs/dbraw/zinc/56/31/66/627563166.db2.gz GQOIBQLKCHOZFO-UHFFFAOYSA-N 1 1 285.387 3.226 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1cc(Cl)ccc1OC(F)F ZINC000769962150 627592279 /nfs/dbraw/zinc/59/22/79/627592279.db2.gz RYDGFIPMOYUCDD-SECBINFHSA-N 1 1 273.710 3.395 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(Cl)ccc1OC(F)F ZINC000769962150 627592282 /nfs/dbraw/zinc/59/22/82/627592282.db2.gz RYDGFIPMOYUCDD-SECBINFHSA-N 1 1 273.710 3.395 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000769962704 627593241 /nfs/dbraw/zinc/59/32/41/627593241.db2.gz HZRFGSFBTXMRQX-LLVKDONJSA-N 1 1 271.282 3.081 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1c2ccccc2oc1C(=O)OCC ZINC000769975917 627593611 /nfs/dbraw/zinc/59/36/11/627593611.db2.gz OMTPTNLBWQYYCY-GFCCVEGCSA-N 1 1 285.343 3.063 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1c2ccccc2oc1C(=O)OCC ZINC000769975917 627593615 /nfs/dbraw/zinc/59/36/15/627593615.db2.gz OMTPTNLBWQYYCY-GFCCVEGCSA-N 1 1 285.343 3.063 20 30 CGEDMO C=CCCC(=O)O[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000770361810 627615545 /nfs/dbraw/zinc/61/55/45/627615545.db2.gz UDKUAWPNOLOSJR-GOSISDBHSA-N 1 1 299.414 3.259 20 30 CGEDMO C#CCOc1ccccc1C[NH2+][C@H](C)c1ccoc1 ZINC000772989640 627837974 /nfs/dbraw/zinc/83/79/74/627837974.db2.gz XSTUTKNDRMXARS-CYBMUJFWSA-N 1 1 255.317 3.142 20 30 CGEDMO C=C(CC)C[N@@H+]1CCC[C@H]1C(=O)OCc1ccccc1 ZINC000773426963 627882451 /nfs/dbraw/zinc/88/24/51/627882451.db2.gz ONJRLFPBHDCOBD-INIZCTEOSA-N 1 1 273.376 3.160 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@H]1C(=O)OCc1ccccc1 ZINC000773426963 627882454 /nfs/dbraw/zinc/88/24/54/627882454.db2.gz ONJRLFPBHDCOBD-INIZCTEOSA-N 1 1 273.376 3.160 20 30 CGEDMO C[C@@H](C1CCCCC1)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000773975147 627934225 /nfs/dbraw/zinc/93/42/25/627934225.db2.gz GVFMIPRDZAVQPJ-KBXCAEBGSA-N 1 1 286.419 3.492 20 30 CGEDMO CC(C)C[N@H+](CCC#N)C[C@@H](O)c1ccc(Cl)cc1 ZINC000774611988 628008797 /nfs/dbraw/zinc/00/87/97/628008797.db2.gz XEFXADGLVZAKIS-OAHLLOKOSA-N 1 1 280.799 3.245 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)C[C@@H](O)c1ccc(Cl)cc1 ZINC000774611988 628008804 /nfs/dbraw/zinc/00/88/04/628008804.db2.gz XEFXADGLVZAKIS-OAHLLOKOSA-N 1 1 280.799 3.245 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000775183604 628070950 /nfs/dbraw/zinc/07/09/50/628070950.db2.gz PSRJKUFTLSXMCX-OAHLLOKOSA-N 1 1 256.393 3.130 20 30 CGEDMO C#C[C@H]([NH2+][C@@H](CC)c1ccc(F)cc1F)[C@H]1CCCO1 ZINC000775571194 628107961 /nfs/dbraw/zinc/10/79/61/628107961.db2.gz CEXWSUYXDFZYEN-HRCADAONSA-N 1 1 279.330 3.186 20 30 CGEDMO CCC[C@H](C)C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000775744438 628132318 /nfs/dbraw/zinc/13/23/18/628132318.db2.gz LLHMNYWORDGKHL-WMLDXEAASA-N 1 1 272.392 3.368 20 30 CGEDMO CN(C)c1ccc(C[N@H+](CC2(C#N)CC2)C2CC2)cc1 ZINC000775943040 628151663 /nfs/dbraw/zinc/15/16/63/628151663.db2.gz WCIGYGHDJFUGIN-UHFFFAOYSA-N 1 1 269.392 3.021 20 30 CGEDMO CN(C)c1ccc(C[N@@H+](CC2(C#N)CC2)C2CC2)cc1 ZINC000775943040 628151670 /nfs/dbraw/zinc/15/16/70/628151670.db2.gz WCIGYGHDJFUGIN-UHFFFAOYSA-N 1 1 269.392 3.021 20 30 CGEDMO COc1cc([C@@H](C)[NH2+]CC2(C#N)CC2)ccc1OC(F)F ZINC000776007862 628157611 /nfs/dbraw/zinc/15/76/11/628157611.db2.gz MOFUDXYBXCGISG-SNVBAGLBSA-N 1 1 296.317 3.251 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC[C@H]2C2CCOCC2)cc1 ZINC000777439540 628270299 /nfs/dbraw/zinc/27/02/99/628270299.db2.gz JWNUQXQOZKQBFX-IBGZPJMESA-N 1 1 299.414 3.090 20 30 CGEDMO CC(C)[C@H](Cc1ccccc1)NN=C1CC[N@@H+](C)[C@@H](C)C1 ZINC000777449227 628272253 /nfs/dbraw/zinc/27/22/53/628272253.db2.gz UGLJBAFOFZTNSH-YJBOKZPZSA-N 1 1 287.451 3.313 20 30 CGEDMO C=CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000778165930 628330373 /nfs/dbraw/zinc/33/03/73/628330373.db2.gz WJHOCWJUSWNZBH-ZDUSSCGKSA-N 1 1 274.408 3.429 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000778165930 628330376 /nfs/dbraw/zinc/33/03/76/628330376.db2.gz WJHOCWJUSWNZBH-ZDUSSCGKSA-N 1 1 274.408 3.429 20 30 CGEDMO C=CCc1ccccc1OC(=O)[C@H](CC)[NH+](CC)CC ZINC000778602487 628360379 /nfs/dbraw/zinc/36/03/79/628360379.db2.gz YMUBVKFFGARGEH-HNNXBMFYSA-N 1 1 275.392 3.441 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000779145340 628390048 /nfs/dbraw/zinc/39/00/48/628390048.db2.gz SRNVFWKDVVSOHF-UHFFFAOYSA-N 1 1 299.168 3.365 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)cc1 ZINC000779149762 628390125 /nfs/dbraw/zinc/39/01/25/628390125.db2.gz ORKJNXQLSZKTOM-ZENOOKHLSA-N 1 1 276.355 3.157 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](C)[C@@H](F)C2)cc1 ZINC000779149762 628390126 /nfs/dbraw/zinc/39/01/26/628390126.db2.gz ORKJNXQLSZKTOM-ZENOOKHLSA-N 1 1 276.355 3.157 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)cc1 ZINC000779151228 628391074 /nfs/dbraw/zinc/39/10/74/628391074.db2.gz VWQOBJXSLLMJBH-PBHICJAKSA-N 1 1 275.367 3.269 20 30 CGEDMO CC[C@@H]1CCCCC1=[NH+]n1cc(Br)cn1 ZINC000779782928 628430081 /nfs/dbraw/zinc/43/00/81/628430081.db2.gz JWUDMQOXLRGUBM-SECBINFHSA-N 1 1 270.174 3.450 20 30 CGEDMO Fc1cc(-c2ccncc2)ccc1C=NNc1cc[nH+]cc1 ZINC000779806606 628432898 /nfs/dbraw/zinc/43/28/98/628432898.db2.gz CEILISXLLINECR-UHFFFAOYSA-N 1 1 292.317 3.151 20 30 CGEDMO Clc1ccc2c(c1)C(=NNc1cc[nH+]cc1)CCS2 ZINC000779808727 628433353 /nfs/dbraw/zinc/43/33/53/628433353.db2.gz GUHCLHUDZRKENK-UHFFFAOYSA-N 1 1 289.791 3.469 20 30 CGEDMO Clc1cccc(C=NNc2cc[nH+]cc2)c1Cl ZINC000779809221 628433418 /nfs/dbraw/zinc/43/34/18/628433418.db2.gz MWLJHKASGUWOED-UHFFFAOYSA-N 1 1 266.131 3.256 20 30 CGEDMO Cc1ccc(C=NNc2cc[nH+]cc2)cc1Br ZINC000779810090 628433920 /nfs/dbraw/zinc/43/39/20/628433920.db2.gz UOJLGJMGAHATMA-UHFFFAOYSA-N 1 1 290.164 3.020 20 30 CGEDMO C#CC[N@H+](C[C@H]1CCO[C@H](CC)C1)C1CCCCC1 ZINC000780758901 628515410 /nfs/dbraw/zinc/51/54/10/628515410.db2.gz ZLBCFVYBHKOOTD-DOTOQJQBSA-N 1 1 263.425 3.460 20 30 CGEDMO C[C@H]([NH2+]Cc1cccc(F)n1)c1ccc(C#N)cc1F ZINC000781422270 628558612 /nfs/dbraw/zinc/55/86/12/628558612.db2.gz NILFGTABLJUGOB-JTQLQIEISA-N 1 1 273.286 3.082 20 30 CGEDMO C=CC[N@@H+](C[C@@H](O)Cc1cccc(Cl)c1)C(C)C ZINC000805733362 628664339 /nfs/dbraw/zinc/66/43/39/628664339.db2.gz RIUJOIFNUYWFKV-HNNXBMFYSA-N 1 1 267.800 3.140 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000784011950 628765387 /nfs/dbraw/zinc/76/53/87/628765387.db2.gz GCMRBGNEXGIPPF-KRWDZBQOSA-N 1 1 270.376 3.007 20 30 CGEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+](C)C[C@H]1CC=CCC1 ZINC000784393378 628812180 /nfs/dbraw/zinc/81/21/80/628812180.db2.gz QEMJMLLJAJRZHS-RDJZCZTQSA-N 1 1 298.386 3.060 20 30 CGEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@H]1CC=CCC1 ZINC000784393378 628812184 /nfs/dbraw/zinc/81/21/84/628812184.db2.gz QEMJMLLJAJRZHS-RDJZCZTQSA-N 1 1 298.386 3.060 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000787769244 629028582 /nfs/dbraw/zinc/02/85/82/629028582.db2.gz DEMJGDQBDSPEEN-AWEZNQCLSA-N 1 1 259.397 3.124 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)CCOc1ccccc1Cl ZINC000787998046 629038123 /nfs/dbraw/zinc/03/81/23/629038123.db2.gz WBJCFUXGEXLTJW-UHFFFAOYSA-N 1 1 251.757 3.062 20 30 CGEDMO C#C[C@@H](OC(=O)c1ccc(C[N@H+](CC)CCC)cc1)C1CC1 ZINC000805902310 629164202 /nfs/dbraw/zinc/16/42/02/629164202.db2.gz OLYMJONXNIYLBA-GOSISDBHSA-N 1 1 299.414 3.487 20 30 CGEDMO C#CC[N@H+](C[C@@H](O)c1ccccc1)[C@H]1CCc2ccccc21 ZINC000791444173 629279082 /nfs/dbraw/zinc/27/90/82/629279082.db2.gz DWSWDJLFVBIYBQ-VQTJNVASSA-N 1 1 291.394 3.343 20 30 CGEDMO C#CCCC[N@H+]1CCOc2c(Br)cccc2C1 ZINC000791566548 629289048 /nfs/dbraw/zinc/28/90/48/629289048.db2.gz RFYWSEFQKQARHC-UHFFFAOYSA-N 1 1 294.192 3.057 20 30 CGEDMO C#CCCC[N@@H+]1CCOc2c(Br)cccc2C1 ZINC000791566548 629289050 /nfs/dbraw/zinc/28/90/50/629289050.db2.gz RFYWSEFQKQARHC-UHFFFAOYSA-N 1 1 294.192 3.057 20 30 CGEDMO CCCCCCCNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000875764909 634729848 /nfs/dbraw/zinc/72/98/48/634729848.db2.gz VMSLSXHIRIPZJG-CVEARBPZSA-N 1 1 295.471 3.083 20 30 CGEDMO C=C(C)C[N@@H+](CC(C)C)C[C@H](O)c1ccc(F)cc1 ZINC000118855097 629341709 /nfs/dbraw/zinc/34/17/09/629341709.db2.gz ATSJTECSXDOOOV-INIZCTEOSA-N 1 1 265.372 3.393 20 30 CGEDMO C#C[C@H]([NH2+]Cc1ccsc1C(F)(F)F)[C@@H]1CCCO1 ZINC000862332900 629345225 /nfs/dbraw/zinc/34/52/25/629345225.db2.gz ZDJWRSUSJMLJSE-QWRGUYRKSA-N 1 1 289.322 3.037 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccccc1N1CCCCC1 ZINC000792192348 629347209 /nfs/dbraw/zinc/34/72/09/629347209.db2.gz IQQMPPWIJIEUHJ-UHFFFAOYSA-N 1 1 288.435 3.311 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000792269512 629353479 /nfs/dbraw/zinc/35/34/79/629353479.db2.gz ZSZRLGVZCWVVNI-MRXNPFEDSA-N 1 1 280.456 3.434 20 30 CGEDMO CCCCCCCNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000875764888 634730464 /nfs/dbraw/zinc/73/04/64/634730464.db2.gz UVJJKYPVRUSHSW-CVEARBPZSA-N 1 1 295.471 3.083 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cc(OC)ccc2OCOC)C1 ZINC000862440194 629373289 /nfs/dbraw/zinc/37/32/89/629373289.db2.gz FYMKBOWBNFPNHE-AWEZNQCLSA-N 1 1 291.391 3.076 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(OCOCC)cc2)C1 ZINC000862442405 629374128 /nfs/dbraw/zinc/37/41/28/629374128.db2.gz ZMAILERBVLQWNT-HNNXBMFYSA-N 1 1 275.392 3.457 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000862443142 629375834 /nfs/dbraw/zinc/37/58/34/629375834.db2.gz LETHBPVSJMNQQT-AWEZNQCLSA-N 1 1 250.345 3.080 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000862445049 629377709 /nfs/dbraw/zinc/37/77/09/629377709.db2.gz KTJHPXBAHYQGBH-ZDUSSCGKSA-N 1 1 283.400 3.050 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cc(OC)ccc2OC(F)F)C1 ZINC000862445469 629379454 /nfs/dbraw/zinc/37/94/54/629379454.db2.gz URSANNNHKFMMKQ-LBPRGKRZSA-N 1 1 295.329 3.142 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000862445424 629379758 /nfs/dbraw/zinc/37/97/58/629379758.db2.gz SWHHBSFTDBWDFX-CYBMUJFWSA-N 1 1 283.350 3.061 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000862447987 629380709 /nfs/dbraw/zinc/38/07/09/629380709.db2.gz UAAWRQOSBCWCTP-NSHDSACASA-N 1 1 283.293 3.256 20 30 CGEDMO C#CC[N@@H+](Cc1cccs1)C1Cc2ccccc2C1 ZINC000792926670 629394992 /nfs/dbraw/zinc/39/49/92/629394992.db2.gz NYZYRTDUUMIXJS-UHFFFAOYSA-N 1 1 267.397 3.351 20 30 CGEDMO C#CCCCCCC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000862628752 629418626 /nfs/dbraw/zinc/41/86/26/629418626.db2.gz JOXDQNZQPCJAAG-QGZVFWFLSA-N 1 1 290.451 3.093 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)cc1 ZINC000793214576 629428776 /nfs/dbraw/zinc/42/87/76/629428776.db2.gz PCUODEMOCRSNER-HNAYVOBHSA-N 1 1 299.414 3.088 20 30 CGEDMO Cc1ccncc1C[N@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000793341451 629444830 /nfs/dbraw/zinc/44/48/30/629444830.db2.gz VGOXXNCXILGSHW-OAHLLOKOSA-N 1 1 295.386 3.313 20 30 CGEDMO Cc1ccncc1C[N@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000793341450 629445157 /nfs/dbraw/zinc/44/51/57/629445157.db2.gz VGOXXNCXILGSHW-HNNXBMFYSA-N 1 1 295.386 3.313 20 30 CGEDMO C=CCCCCC[C@H](C)[NH2+]C[C@H]1CCN(CC)C1 ZINC000793520700 629471890 /nfs/dbraw/zinc/47/18/90/629471890.db2.gz HJVSYEVJEUMBQJ-JKSUJKDBSA-N 1 1 252.446 3.443 20 30 CGEDMO COc1ccccc1CON=C1CC[N@@H+](C)C(C)(C)C1 ZINC000863111174 629475473 /nfs/dbraw/zinc/47/54/73/629475473.db2.gz PRNBQAUNXNQBKO-UHFFFAOYSA-N 1 1 276.380 3.072 20 30 CGEDMO C=CCCCCC[C@H](C)[NH2+][C@H]1CCc2cn[nH]c2C1 ZINC000793532528 629477582 /nfs/dbraw/zinc/47/75/82/629477582.db2.gz MJCIGQVTTJHBBL-ZFWWWQNUSA-N 1 1 261.413 3.382 20 30 CGEDMO N#CC1(C[NH2+]C[C@H](O)c2c(F)cccc2F)CCCCC1 ZINC000863572605 629607387 /nfs/dbraw/zinc/60/73/87/629607387.db2.gz CYVBFPSVGCCSRJ-AWEZNQCLSA-N 1 1 294.345 3.062 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC1N=Nc1cccc(F)n1 ZINC000795007497 629621720 /nfs/dbraw/zinc/62/17/20/629621720.db2.gz IAOZWMYOCMPFIG-CYBMUJFWSA-N 1 1 298.365 3.141 20 30 CGEDMO CCCCCCC[N@H+](C)Cc1nncn1C(C)C ZINC000795641352 629704551 /nfs/dbraw/zinc/70/45/51/629704551.db2.gz XUFQSIMVNKTSBP-UHFFFAOYSA-N 1 1 252.406 3.261 20 30 CGEDMO CCCCCCC[N@@H+](C)Cc1nncn1C(C)C ZINC000795641352 629704556 /nfs/dbraw/zinc/70/45/56/629704556.db2.gz XUFQSIMVNKTSBP-UHFFFAOYSA-N 1 1 252.406 3.261 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)CCC(C)C ZINC000796455585 629783451 /nfs/dbraw/zinc/78/34/51/629783451.db2.gz NLYYAWNIXBJQAA-KRWDZBQOSA-N 1 1 277.383 3.058 20 30 CGEDMO C=CCC[C@H]([NH2+]Cc1cc(CC)n[nH]1)c1ccco1 ZINC000796764902 629829237 /nfs/dbraw/zinc/82/92/37/629829237.db2.gz WBHXXGPGGSWBKF-AWEZNQCLSA-N 1 1 259.353 3.362 20 30 CGEDMO CC1=C[C@H](C)C[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000797605665 629970482 /nfs/dbraw/zinc/97/04/82/629970482.db2.gz UFDLSWRHSSUGGB-ZFWWWQNUSA-N 1 1 270.376 3.375 20 30 CGEDMO COCCON=C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000797786104 629982340 /nfs/dbraw/zinc/98/23/40/629982340.db2.gz HHFDWAFIBVGAEP-UHFFFAOYSA-N 1 1 290.407 3.080 20 30 CGEDMO CCCCCCCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000836626053 634785977 /nfs/dbraw/zinc/78/59/77/634785977.db2.gz YLUWYOFXQGIDJI-MQVJKMGUSA-N 1 1 295.471 3.271 20 30 CGEDMO C#CC[C@@H]([NH2+]Cc1cn(C2CC2)cn1)c1ccccc1 ZINC000865512694 630163725 /nfs/dbraw/zinc/16/37/25/630163725.db2.gz RTGWPDMIBNIRLU-QGZVFWFLSA-N 1 1 265.360 3.072 20 30 CGEDMO Cc1cccc([C@@H]2CCC[N@@H+]2CCO[C@H](C)C#N)c1 ZINC000801912839 630364559 /nfs/dbraw/zinc/36/45/59/630364559.db2.gz GABUITBKLIOSME-ZBFHGGJFSA-N 1 1 258.365 3.061 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000801918024 630365992 /nfs/dbraw/zinc/36/59/92/630365992.db2.gz VWRLEVVMHGQCFB-NVXWUHKLSA-N 1 1 272.392 3.012 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000801917596 630366062 /nfs/dbraw/zinc/36/60/62/630366062.db2.gz IXQPIQPXOKNFBD-RDJZCZTQSA-N 1 1 272.392 3.185 20 30 CGEDMO Cc1cccc([C@@H]2CCC[N@@H+]2CCO[C@H](C)C#N)c1C ZINC000801922830 630366760 /nfs/dbraw/zinc/36/67/60/630366760.db2.gz PVQOZGXTRXBDSC-PBHICJAKSA-N 1 1 272.392 3.369 20 30 CGEDMO Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)CCO[C@@H](C)C#N)cc1 ZINC000801923559 630367611 /nfs/dbraw/zinc/36/76/11/630367611.db2.gz KNEJVUJSRKNFCT-RYQLBKOJSA-N 1 1 286.419 3.492 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCCC2(C1)CCCCCC2 ZINC000801923975 630368177 /nfs/dbraw/zinc/36/81/77/630368177.db2.gz PPQBQACKLOYAFK-HNNXBMFYSA-N 1 1 264.413 3.351 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)CN1C[C@H]2CCC[C@H]2C1=O ZINC000840060787 630560630 /nfs/dbraw/zinc/56/06/30/630560630.db2.gz GDJOHTUINOCBMT-QZTJIDSGSA-N 1 1 298.430 3.281 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)CN1C[C@H]2CCC[C@H]2C1=O ZINC000840060787 630560633 /nfs/dbraw/zinc/56/06/33/630560633.db2.gz GDJOHTUINOCBMT-QZTJIDSGSA-N 1 1 298.430 3.281 20 30 CGEDMO Cc1c(Cl)cccc1N[NH+]=Cc1ccc(N)nc1 ZINC000807962863 630608736 /nfs/dbraw/zinc/60/87/36/630608736.db2.gz IZKSLIJOAJYBQR-UHFFFAOYSA-N 1 1 260.728 3.072 20 30 CGEDMO C#Cc1ccc(C[NH2+][C@@H](COC)c2ccc(C)o2)cc1 ZINC000809625678 630766548 /nfs/dbraw/zinc/76/65/48/630766548.db2.gz OGAQQQYLWJXKHN-INIZCTEOSA-N 1 1 269.344 3.047 20 30 CGEDMO C#C[C@H]([NH2+][C@H](C)COCC)c1ccc(Cl)cc1F ZINC000809698219 630785332 /nfs/dbraw/zinc/78/53/32/630785332.db2.gz BWKULCJKYYNNNW-YGRLFVJLSA-N 1 1 269.747 3.168 20 30 CGEDMO C=CC[C@@H](C(=O)O[C@H](C)Cn1cc[nH+]c1C)c1ccccc1 ZINC000810613003 630905254 /nfs/dbraw/zinc/90/52/54/630905254.db2.gz MDWPENLSFVNXON-RHSMWYFYSA-N 1 1 298.386 3.483 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccn2)CCC1=NOC/C=C/Cl ZINC000811668637 631106836 /nfs/dbraw/zinc/10/68/36/631106836.db2.gz IKBDMANHUUQFEY-XJLNXQJMSA-N 1 1 293.798 3.049 20 30 CGEDMO C=CCCCCCCCNC(=O)N1CCC[N@H+](CC)CC1 ZINC000812493393 631268813 /nfs/dbraw/zinc/26/88/13/631268813.db2.gz IAZHRUVULLBKAO-UHFFFAOYSA-N 1 1 295.471 3.250 20 30 CGEDMO CCCNN=C1CCC[N@H+](Cc2ccccc2)[C@H]1C ZINC000814804409 631643504 /nfs/dbraw/zinc/64/35/04/631643504.db2.gz NZBYLXGXJUIVAU-AWEZNQCLSA-N 1 1 259.397 3.027 20 30 CGEDMO CCCNN=C1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000814804409 631643509 /nfs/dbraw/zinc/64/35/09/631643509.db2.gz NZBYLXGXJUIVAU-AWEZNQCLSA-N 1 1 259.397 3.027 20 30 CGEDMO CCc1cccc(C)c1N[NH+]=C(C)c1ccc(N)nc1 ZINC000814923867 631683652 /nfs/dbraw/zinc/68/36/52/631683652.db2.gz ZJOPIDHYRZEKIO-UHFFFAOYSA-N 1 1 268.364 3.371 20 30 CGEDMO Cc1cccc(C(C)C)c1N[NH+]=Cc1cnc(N(C)C)nc1 ZINC000814935718 631689946 /nfs/dbraw/zinc/68/99/46/631689946.db2.gz WABOBDJUESGHAB-UHFFFAOYSA-N 1 1 297.406 3.420 20 30 CGEDMO C[C@@H](N[NH+]=C1CC(C)(C)Cc2nc(N)sc21)C(C)(C)C ZINC000814937535 631691581 /nfs/dbraw/zinc/69/15/81/631691581.db2.gz KBWFHTJEQXFJCT-SECBINFHSA-N 1 1 294.468 3.426 20 30 CGEDMO CC[N@@H+](C[C@H](O)c1ccc(C)cc1)[C@H]1CC[C@@H](C#N)C1 ZINC000815054523 631708529 /nfs/dbraw/zinc/70/85/29/631708529.db2.gz IAYAEAAKFQUMBL-PVAVHDDUSA-N 1 1 272.392 3.043 20 30 CGEDMO C#CC[N@H+](Cc1ccc2ccccc2c1O)C1CC1 ZINC000816570212 632016521 /nfs/dbraw/zinc/01/65/21/632016521.db2.gz MRJJCZSYPPCWBG-UHFFFAOYSA-N 1 1 251.329 3.143 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)[C@@H]1C ZINC000816648201 632034912 /nfs/dbraw/zinc/03/49/12/632034912.db2.gz GLKKQXIJAZFNDB-ZIAGYGMSSA-N 1 1 258.365 3.209 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+](C)Cc2conc2CC)cc1 ZINC000816652213 632039417 /nfs/dbraw/zinc/03/94/17/632039417.db2.gz DEJFNGIQLIPXOW-UHFFFAOYSA-N 1 1 298.386 3.271 20 30 CGEDMO C#CCCOc1ccc(C[N@H+](C)Cc2conc2CC)cc1 ZINC000816652213 632039421 /nfs/dbraw/zinc/03/94/21/632039421.db2.gz DEJFNGIQLIPXOW-UHFFFAOYSA-N 1 1 298.386 3.271 20 30 CGEDMO C=CC[C@H](C)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000879210226 635726223 /nfs/dbraw/zinc/72/62/23/635726223.db2.gz WVQXTZBLSKORSA-HNNXBMFYSA-N 1 1 250.430 3.291 20 30 CGEDMO C#CC[N@@H+](C)CCCNC(=O)c1ccc(C2CCCC2)cc1 ZINC000818615257 632341309 /nfs/dbraw/zinc/34/13/09/632341309.db2.gz FXAZDTKQWLCGDX-UHFFFAOYSA-N 1 1 298.430 3.029 20 30 CGEDMO CN(C)c1[nH+]cc(/C=C/C(=O)c2cccc(Cl)c2)n1C ZINC000821028850 632714150 /nfs/dbraw/zinc/71/41/50/632714150.db2.gz XQZRBARXIXGWDC-BQYQJAHWSA-N 1 1 289.766 3.036 20 30 CGEDMO COc1ccc(O)c(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000822526515 632963365 /nfs/dbraw/zinc/96/33/65/632963365.db2.gz VZKYQGDDFGMSBT-CYBMUJFWSA-N 1 1 296.370 3.465 20 30 CGEDMO C[N@H+]1CCN(c2c(C#N)cnc3ccccc32)CCC1(C)C ZINC000866112464 633004423 /nfs/dbraw/zinc/00/44/23/633004423.db2.gz BYGLAKIJRWEEMH-UHFFFAOYSA-N 1 1 294.402 3.027 20 30 CGEDMO CC1CCC(c2noc([C@H]([NH3+])CCCC#N)n2)CC1 ZINC000822760206 633018499 /nfs/dbraw/zinc/01/84/99/633018499.db2.gz IQMBWMPTENQYBR-HTAVTVPLSA-N 1 1 262.357 3.057 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)c1ccccc1F ZINC000823617176 633126987 /nfs/dbraw/zinc/12/69/87/633126987.db2.gz GJRYDYCBKIQYSW-UGSOOPFHSA-N 1 1 298.361 3.424 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)cc1 ZINC000880190620 635932401 /nfs/dbraw/zinc/93/24/01/635932401.db2.gz WFLPSMBCOJOKLE-OALUTQOASA-N 1 1 289.382 3.021 20 30 CGEDMO N#Cc1cncnc1Nc1ccc([NH+]2CCCCCC2)cc1 ZINC000825534105 633362943 /nfs/dbraw/zinc/36/29/43/633362943.db2.gz FJEADTFAPZWIIU-UHFFFAOYSA-N 1 1 293.374 3.472 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc3ccc(C)cc3[nH]2)C1 ZINC000826534867 633411763 /nfs/dbraw/zinc/41/17/63/633411763.db2.gz LBNOVDSIAIUIPO-CQSZACIVSA-N 1 1 252.361 3.322 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000826653376 633423568 /nfs/dbraw/zinc/42/35/68/633423568.db2.gz COJGOXBEVBMDKQ-HNNXBMFYSA-N 1 1 278.440 3.112 20 30 CGEDMO Cc1oc(C#N)cc1C(=O)OCc1c(C)cc(C)[nH+]c1C ZINC000869510884 633457355 /nfs/dbraw/zinc/45/73/55/633457355.db2.gz HXVAVGIFAWMNFT-UHFFFAOYSA-N 1 1 284.315 3.137 20 30 CGEDMO CN(C)c1ccc(/C=C/C[N@@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000827651033 633507471 /nfs/dbraw/zinc/50/74/71/633507471.db2.gz YKTXLWYYSMZRIB-BDUNBXCCSA-N 1 1 269.392 3.001 20 30 CGEDMO CN(C)c1ccc(/C=C/C[N@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000827651033 633507474 /nfs/dbraw/zinc/50/74/74/633507474.db2.gz YKTXLWYYSMZRIB-BDUNBXCCSA-N 1 1 269.392 3.001 20 30 CGEDMO CC(C)C[N@H+](CCC#N)C[C@]1(C)CC1(Cl)Cl ZINC000827873297 633528702 /nfs/dbraw/zinc/52/87/02/633528702.db2.gz RMHNOPVPKNCXBD-NSHDSACASA-N 1 1 263.212 3.442 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)C[C@]1(C)CC1(Cl)Cl ZINC000827873297 633528704 /nfs/dbraw/zinc/52/87/04/633528704.db2.gz RMHNOPVPKNCXBD-NSHDSACASA-N 1 1 263.212 3.442 20 30 CGEDMO CC(C)C[N@@H+](C)CCCNc1snc(Cl)c1C#N ZINC000845583068 636050309 /nfs/dbraw/zinc/05/03/09/636050309.db2.gz LDPDRFGGZBZIBA-UHFFFAOYSA-N 1 1 286.832 3.058 20 30 CGEDMO C#C[C@H](C)[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000123015238 633545822 /nfs/dbraw/zinc/54/58/22/633545822.db2.gz BAYLAJAYHIBRBY-JTQLQIEISA-N 1 1 260.337 3.061 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CCC1)c1ccc2c(c1)OCCCO2 ZINC000828663767 633640423 /nfs/dbraw/zinc/64/04/23/633640423.db2.gz NJNRCDNTKLDWQZ-ZDUSSCGKSA-N 1 1 286.375 3.192 20 30 CGEDMO C[C@@]1(C[N@@H+]2CCC[C@](C)(C#N)C2)CC1(Cl)Cl ZINC000828786020 633652770 /nfs/dbraw/zinc/65/27/70/633652770.db2.gz TURTUYDLDVFPEQ-MNOVXSKESA-N 1 1 261.196 3.196 20 30 CGEDMO C[C@@]1(C[N@H+]2CCC[C@](C)(C#N)C2)CC1(Cl)Cl ZINC000828786020 633652774 /nfs/dbraw/zinc/65/27/74/633652774.db2.gz TURTUYDLDVFPEQ-MNOVXSKESA-N 1 1 261.196 3.196 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](CC(=O)N(c2ccccc2)C(C)C)C1 ZINC000829768576 633779336 /nfs/dbraw/zinc/77/93/36/633779336.db2.gz GNISKSFXEBHKNW-QGZVFWFLSA-N 1 1 298.430 3.163 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(C)C)C1 ZINC000829773411 633780018 /nfs/dbraw/zinc/78/00/18/633780018.db2.gz DYBWWPWGSJIYLJ-MRXNPFEDSA-N 1 1 298.430 3.484 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+]([C@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000829773086 633780842 /nfs/dbraw/zinc/78/08/42/633780842.db2.gz ALYCGDVYJQNJAP-CHWSQXEVSA-N 1 1 275.396 3.163 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+]([C@H](C)c2nc(C(C)(C)C)no2)C1 ZINC000829773086 633780845 /nfs/dbraw/zinc/78/08/45/633780845.db2.gz ALYCGDVYJQNJAP-CHWSQXEVSA-N 1 1 275.396 3.163 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+]([C@H](C)c2nc(CCCC)no2)C1 ZINC000829775220 633780931 /nfs/dbraw/zinc/78/09/31/633780931.db2.gz ZKKQLGJENHGBJH-ZIAGYGMSSA-N 1 1 275.396 3.209 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000829774381 633780971 /nfs/dbraw/zinc/78/09/71/633780971.db2.gz POYKZRHRYZHDPH-IAGOWNOFSA-N 1 1 298.430 3.366 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(Cl)c2)C1 ZINC000829779552 633782375 /nfs/dbraw/zinc/78/23/75/633782375.db2.gz WRFZLQPQIJGHJT-CYBMUJFWSA-N 1 1 290.794 3.014 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2csc([C@@H](C)OC)n2)C1 ZINC000829784068 633782579 /nfs/dbraw/zinc/78/25/79/633782579.db2.gz FZRPYLVGZPPWJT-CHWSQXEVSA-N 1 1 278.421 3.086 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2csc([C@@H](C)OC)n2)C1 ZINC000829784068 633782581 /nfs/dbraw/zinc/78/25/81/633782581.db2.gz FZRPYLVGZPPWJT-CHWSQXEVSA-N 1 1 278.421 3.086 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2nc(-c3cccc(C)c3)no2)C1 ZINC000829778973 633783111 /nfs/dbraw/zinc/78/31/11/633783111.db2.gz LGRYFFNIGQJKNQ-HNNXBMFYSA-N 1 1 295.386 3.280 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000829785341 633783611 /nfs/dbraw/zinc/78/36/11/633783611.db2.gz ULIAUFXRZREKBG-LBPRGKRZSA-N 1 1 292.766 3.484 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+]([C@@H](C)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000829794065 633785651 /nfs/dbraw/zinc/78/56/51/633785651.db2.gz QOXZBFCYFSDDDX-KBPBESRZSA-N 1 1 295.386 3.132 20 30 CGEDMO C#CC[C@H]1CCC[N@H+]([C@@H](C)c2nc3ccccc3c(=O)[nH]2)C1 ZINC000829794065 633785654 /nfs/dbraw/zinc/78/56/54/633785654.db2.gz QOXZBFCYFSDDDX-KBPBESRZSA-N 1 1 295.386 3.132 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000829811186 633794580 /nfs/dbraw/zinc/79/45/80/633794580.db2.gz ZFCLHJYXPPZBQU-MLGOLLRUSA-N 1 1 295.785 3.248 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](CCC(=O)c2ccc(OC)cc2)C1 ZINC000829815642 633796599 /nfs/dbraw/zinc/79/65/99/633796599.db2.gz QBKOYEIZGXMBEO-HNNXBMFYSA-N 1 1 285.387 3.003 20 30 CGEDMO C#CCC[N@H+](CCCC)[C@H]1CCc2ncsc2C1 ZINC000830816768 633890677 /nfs/dbraw/zinc/89/06/77/633890677.db2.gz KMNAFVVWTISLGL-ZDUSSCGKSA-N 1 1 262.422 3.126 20 30 CGEDMO C[C@@H]([NH2+]CC(C)(C)CC#N)c1c(F)cccc1[N+](=O)[O-] ZINC000872078221 634001891 /nfs/dbraw/zinc/00/18/91/634001891.db2.gz GNVBGZUCUDOHFY-SNVBAGLBSA-N 1 1 279.315 3.324 20 30 CGEDMO C=C(Cl)C[C@H]([NH3+])c1nc([C@@H](C)c2cccs2)no1 ZINC000872176850 634079442 /nfs/dbraw/zinc/07/94/42/634079442.db2.gz YZZMOJIDGWQTHW-IUCAKERBSA-N 1 1 283.784 3.425 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872261904 634092661 /nfs/dbraw/zinc/09/26/61/634092661.db2.gz KBAXVVXEKVRGSX-GOSISDBHSA-N 1 1 284.403 3.482 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)[C@@H]1C(C)C ZINC000834387243 634159503 /nfs/dbraw/zinc/15/95/03/634159503.db2.gz DLLCWGNDBFXVPC-OKZBNKHCSA-N 1 1 286.419 3.204 20 30 CGEDMO CC(C)[C@@H]1[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CC12CCCC2 ZINC000834392703 634160211 /nfs/dbraw/zinc/16/02/11/634160211.db2.gz MXZGUQRWKGQKIB-ROUUACIJSA-N 1 1 298.430 3.492 20 30 CGEDMO CCCc1nc(CO[NH+]=C(N)CCC(C)C)cs1 ZINC000101540841 634186652 /nfs/dbraw/zinc/18/66/52/634186652.db2.gz GKCVMJYEJFRHPZ-UHFFFAOYSA-N 1 1 269.414 3.321 20 30 CGEDMO C[N@@H+](Cc1cc2c(cc1O)CCCC2)[C@@H]1CCC[C@H]1C#N ZINC000872684510 634187473 /nfs/dbraw/zinc/18/74/73/634187473.db2.gz OJHRENGNWAGHSR-DOTOQJQBSA-N 1 1 284.403 3.395 20 30 CGEDMO CCn1ccnc1[C@H](C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000834640133 634205588 /nfs/dbraw/zinc/20/55/88/634205588.db2.gz HANSUPDYXPSWEF-KBPBESRZSA-N 1 1 298.390 3.217 20 30 CGEDMO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000834895398 634271924 /nfs/dbraw/zinc/27/19/24/634271924.db2.gz YFFOKJMCMKAMSO-FMKPAKJESA-N 1 1 279.355 3.306 20 30 CGEDMO CC(=[NH+]OC(C)C)c1ccc(N2CCCC2)cc1O ZINC000835001674 634308439 /nfs/dbraw/zinc/30/84/39/634308439.db2.gz ZCXBGVLDWCHAQI-UHFFFAOYSA-N 1 1 262.353 3.141 20 30 CGEDMO C=CC[N@H+](C/C=C\c1ccc(N(C)C)cc1)C1CC1 ZINC000835048493 634334579 /nfs/dbraw/zinc/33/45/79/634334579.db2.gz SIWVRJAITCZQMT-WAYWQWQTSA-N 1 1 256.393 3.416 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2cccc(C#N)n2)Cc2ccccc21 ZINC000876544302 634853568 /nfs/dbraw/zinc/85/35/68/634853568.db2.gz SQVOCVUIELNNHR-CYBMUJFWSA-N 1 1 263.344 3.073 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)n2)Cc2ccccc21 ZINC000876544302 634853573 /nfs/dbraw/zinc/85/35/73/634853573.db2.gz SQVOCVUIELNNHR-CYBMUJFWSA-N 1 1 263.344 3.073 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000876627638 634871391 /nfs/dbraw/zinc/87/13/91/634871391.db2.gz SWYOURSQLBYRIA-MRXNPFEDSA-N 1 1 273.424 3.183 20 30 CGEDMO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cc(C#N)cnc1Cl ZINC000876657619 634876772 /nfs/dbraw/zinc/87/67/72/634876772.db2.gz PNCANFYJIZWMDE-WDEREUQCSA-N 1 1 263.772 3.227 20 30 CGEDMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000876657619 634876774 /nfs/dbraw/zinc/87/67/74/634876774.db2.gz PNCANFYJIZWMDE-WDEREUQCSA-N 1 1 263.772 3.227 20 30 CGEDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000840938734 635086098 /nfs/dbraw/zinc/08/60/98/635086098.db2.gz GGHGLZPCOVAJPM-KRWDZBQOSA-N 1 1 271.408 3.187 20 30 CGEDMO C=CCC[C@H]([NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)C(=O)OCC ZINC000877571775 635097216 /nfs/dbraw/zinc/09/72/16/635097216.db2.gz JJYWBNABFZCLJH-ILXRZTDVSA-N 1 1 297.439 3.068 20 30 CGEDMO C[N@H+](CCC(C)(C)C)Cc1cc(C#N)cnc1Cl ZINC000877605965 635106915 /nfs/dbraw/zinc/10/69/15/635106915.db2.gz MEHSSTPNACDFJG-UHFFFAOYSA-N 1 1 265.788 3.475 20 30 CGEDMO C[N@@H+](CCC(C)(C)C)Cc1cc(C#N)cnc1Cl ZINC000877605965 635106917 /nfs/dbraw/zinc/10/69/17/635106917.db2.gz MEHSSTPNACDFJG-UHFFFAOYSA-N 1 1 265.788 3.475 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc3c(ccnc3Cl)o2)C1 ZINC000877617925 635114955 /nfs/dbraw/zinc/11/49/55/635114955.db2.gz ZUJANXVDBARNQR-LLVKDONJSA-N 1 1 274.751 3.326 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000877650536 635131378 /nfs/dbraw/zinc/13/13/78/635131378.db2.gz KGZKCICYSGVXFR-AWEZNQCLSA-N 1 1 250.345 3.080 20 30 CGEDMO CC(C)n1nccc1C[N@@H+](C)CCc1cccc(C#N)c1 ZINC000877705243 635156634 /nfs/dbraw/zinc/15/66/34/635156634.db2.gz XOBVXBUJWXZURJ-UHFFFAOYSA-N 1 1 282.391 3.010 20 30 CGEDMO COc1cc(F)cc(N[NH2+]C(C)=C2CC2(F)F)c1 ZINC000841629775 635201672 /nfs/dbraw/zinc/20/16/72/635201672.db2.gz VDCHKSVYULELOX-LLVKDONJSA-N 1 1 258.243 3.277 20 30 CGEDMO Cc1csc([C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)n1 ZINC000877812528 635216734 /nfs/dbraw/zinc/21/67/34/635216734.db2.gz CIVYLWIGEQZAHK-NSHDSACASA-N 1 1 289.429 3.374 20 30 CGEDMO C[C@H]([NH2+]CCCCC#N)c1ccc(Cl)cc1O ZINC000841748831 635222995 /nfs/dbraw/zinc/22/29/95/635222995.db2.gz ZJPUJQVEOLACOP-JTQLQIEISA-N 1 1 252.745 3.390 20 30 CGEDMO C[N@@H+](CCC1CCCCC1)C[C@@H](O)c1cccc(C#N)c1 ZINC000842148189 635295904 /nfs/dbraw/zinc/29/59/04/635295904.db2.gz ODKUOKTVSUAMSA-GOSISDBHSA-N 1 1 286.419 3.494 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000878009517 635318683 /nfs/dbraw/zinc/31/86/83/635318683.db2.gz VASCBAYIKLEBOG-INIZCTEOSA-N 1 1 286.419 3.104 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000878009517 635318695 /nfs/dbraw/zinc/31/86/95/635318695.db2.gz VASCBAYIKLEBOG-INIZCTEOSA-N 1 1 286.419 3.104 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878120802 635367044 /nfs/dbraw/zinc/36/70/44/635367044.db2.gz BTNPHMSXMXYNJV-ILXRZTDVSA-N 1 1 264.413 3.206 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878120802 635367048 /nfs/dbraw/zinc/36/70/48/635367048.db2.gz BTNPHMSXMXYNJV-ILXRZTDVSA-N 1 1 264.413 3.206 20 30 CGEDMO C=CC[C@@H](C)[N@@H+]1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000878196895 635408678 /nfs/dbraw/zinc/40/86/78/635408678.db2.gz BWUKEEFHDAIPDU-CZUORRHYSA-N 1 1 261.365 3.033 20 30 CGEDMO C=CC[N@@H+](CN1C[C@](C)(Cc2ccccc2)CC1=O)C1CC1 ZINC000842602423 635415327 /nfs/dbraw/zinc/41/53/27/635415327.db2.gz VKYJVUUAOBZNRP-LJQANCHMSA-N 1 1 298.430 3.076 20 30 CGEDMO C=CC[N@H+](CN1C[C@](C)(Cc2ccccc2)CC1=O)C1CC1 ZINC000842602423 635415334 /nfs/dbraw/zinc/41/53/34/635415334.db2.gz VKYJVUUAOBZNRP-LJQANCHMSA-N 1 1 298.430 3.076 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000878213997 635416354 /nfs/dbraw/zinc/41/63/54/635416354.db2.gz OLNDIPOMWWIBQW-LSDHHAIUSA-N 1 1 287.407 3.005 20 30 CGEDMO C#CCCCCC[N@H+](C)Cc1nc2ccccc2o1 ZINC000878269722 635439461 /nfs/dbraw/zinc/43/94/61/635439461.db2.gz KYIKNEYOAVJTSB-UHFFFAOYSA-N 1 1 256.349 3.453 20 30 CGEDMO C#CCCCCC[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000878290972 635446262 /nfs/dbraw/zinc/44/62/62/635446262.db2.gz XLBOZQHZQCXPGJ-UHFFFAOYSA-N 1 1 287.329 3.064 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@@H+]1CC=C(C)CC1)c1ccccc1 ZINC000878300597 635449827 /nfs/dbraw/zinc/44/98/27/635449827.db2.gz LFXIXFJRSUFWMG-GOSISDBHSA-N 1 1 282.387 3.079 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCc2ccc(C(C)=O)cc2CC1 ZINC000878302598 635451003 /nfs/dbraw/zinc/45/10/03/635451003.db2.gz SHDVHKOSYNENGV-CYBMUJFWSA-N 1 1 257.377 3.254 20 30 CGEDMO C#CCCCCC[N@@H+]1CCC[C@@H](C(C)(C)C(=O)OC)C1 ZINC000878339242 635466386 /nfs/dbraw/zinc/46/63/86/635466386.db2.gz BEKDMCXNRUDOTD-OAHLLOKOSA-N 1 1 279.424 3.091 20 30 CGEDMO C=C(C)C(C)(C)C(=O)OC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000842830136 635485526 /nfs/dbraw/zinc/48/55/26/635485526.db2.gz SBOBNONUVMURHR-AWEZNQCLSA-N 1 1 267.413 3.252 20 30 CGEDMO C#CCCCCC[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000878647862 635589208 /nfs/dbraw/zinc/58/92/08/635589208.db2.gz JLFYAUCTZCFOQG-MRXNPFEDSA-N 1 1 256.393 3.455 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](C[C@@H]2CCC3(CCOCC3)CO2)C1 ZINC000878914435 635656815 /nfs/dbraw/zinc/65/68/15/635656815.db2.gz CUNBAMCWVCQPQW-IRXDYDNUSA-N 1 1 293.451 3.250 20 30 CGEDMO CCCCCCCC[N@H+]1CCC[C@H](c2nnc(N)o2)C1 ZINC000878945534 635663386 /nfs/dbraw/zinc/66/33/86/635663386.db2.gz MFVDJWAXFIWNIN-ZDUSSCGKSA-N 1 1 280.416 3.192 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000843424714 635669639 /nfs/dbraw/zinc/66/96/39/635669639.db2.gz ZZGDJNDXANGMPE-AWEZNQCLSA-N 1 1 297.377 3.451 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000843424713 635669705 /nfs/dbraw/zinc/66/97/05/635669705.db2.gz ZYIIDTQPIDVMTA-OAHLLOKOSA-N 1 1 267.372 3.198 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000843424547 635670165 /nfs/dbraw/zinc/67/01/65/635670165.db2.gz VVJUQYKZIWPOQE-HZPDHXFCSA-N 1 1 282.387 3.213 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CC3(C[C@H]2C)CCOCC3)cc1 ZINC000843432459 635674911 /nfs/dbraw/zinc/67/49/11/635674911.db2.gz WXKRSTPCTUHYCS-MRXNPFEDSA-N 1 1 299.414 3.090 20 30 CGEDMO N#CCC1(C[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)CC1 ZINC000879054556 635692001 /nfs/dbraw/zinc/69/20/01/635692001.db2.gz QTLRQMBLCMMAMK-YESZJQIVSA-N 1 1 266.388 3.416 20 30 CGEDMO C=C(Br)C[N@H+]1CCC[C@H]1[C@@H](O)c1ccccc1 ZINC000879243720 635733388 /nfs/dbraw/zinc/73/33/88/635733388.db2.gz WSJVROJYRVNZML-KBPBESRZSA-N 1 1 296.208 3.093 20 30 CGEDMO C=C(Br)C[N@@H+]1CCC[C@H]1[C@@H](O)c1ccccc1 ZINC000879243720 635733390 /nfs/dbraw/zinc/73/33/90/635733390.db2.gz WSJVROJYRVNZML-KBPBESRZSA-N 1 1 296.208 3.093 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3CSC[C@@H]3C2)c(Cl)c1 ZINC000879564074 635810786 /nfs/dbraw/zinc/81/07/86/635810786.db2.gz GMYDVORPAWBSRY-KGLIPLIRSA-N 1 1 292.835 3.397 20 30 CGEDMO CC(C)C[N@@H+](C)CCCN=Cc1cc2ccccc2[nH]c1=O ZINC000844270439 635850876 /nfs/dbraw/zinc/85/08/76/635850876.db2.gz HWWMYXHLKABKPA-UNOMPAQXSA-N 1 1 299.418 3.337 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000844373513 635884119 /nfs/dbraw/zinc/88/41/19/635884119.db2.gz JCXJANQJJBKPKS-XJKSGUPXSA-N 1 1 292.810 3.316 20 30 CGEDMO C=CC[C@@H]1CCC(=[NH+]n2cc(Br)cn2)C1 ZINC000844588886 635937315 /nfs/dbraw/zinc/93/73/15/635937315.db2.gz HYWPFXANBALIPO-SECBINFHSA-N 1 1 268.158 3.226 20 30 CGEDMO C=C[C@H](C)O[NH+]=C1CC(C)(C)Oc2ccc(N)cc21 ZINC000844620462 635943617 /nfs/dbraw/zinc/94/36/17/635943617.db2.gz LHGDTNOIAMYWRJ-JTQLQIEISA-N 1 1 260.337 3.125 20 30 CGEDMO CCCC(N)=[NH+]OCc1csc(-c2cccs2)n1 ZINC000105606057 635959347 /nfs/dbraw/zinc/95/93/47/635959347.db2.gz OUTFEORHKGJFLT-UHFFFAOYSA-N 1 1 281.406 3.461 20 30 CGEDMO CO[C@]1(C(F)(F)F)CC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000880306847 635970849 /nfs/dbraw/zinc/97/08/49/635970849.db2.gz ZLFFXWARHZKHDQ-BXUZGUMPSA-N 1 1 298.308 3.272 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3nccs3)C2)s1 ZINC000880321636 635975670 /nfs/dbraw/zinc/97/56/70/635975670.db2.gz ZBWVBOCLGPLNQC-JTQLQIEISA-N 1 1 275.402 3.066 20 30 CGEDMO C=CCCC[C@H]([NH2+]Cc1ncnn1CC)c1ccccc1 ZINC000880390885 635992797 /nfs/dbraw/zinc/99/27/97/635992797.db2.gz XUOPNVABYBPOAI-INIZCTEOSA-N 1 1 284.407 3.485 20 30 CGEDMO N#C[C@H]1CC[C@@H]([N@H+]2CCc3cc(F)c(F)cc3C2)C1 ZINC000880443229 636000902 /nfs/dbraw/zinc/00/09/02/636000902.db2.gz CXVBTUDLXPXIOC-GXFFZTMASA-N 1 1 262.303 3.015 20 30 CGEDMO N#C[C@H]1CC[C@@H]([N@@H+]2CCc3cc(F)c(F)cc3C2)C1 ZINC000880443229 636000903 /nfs/dbraw/zinc/00/09/03/636000903.db2.gz CXVBTUDLXPXIOC-GXFFZTMASA-N 1 1 262.303 3.015 20 30 CGEDMO N#Cc1ccc(F)cc1C[NH+]1CCC2(CCCCO2)CC1 ZINC000880457627 636004000 /nfs/dbraw/zinc/00/40/00/636004000.db2.gz VCKYFBZUSKJIOJ-UHFFFAOYSA-N 1 1 288.366 3.232 20 30 CGEDMO CC[N@@H+](Cc1cccc(C#N)c1)[C@H](CO)c1ccccc1 ZINC000880460779 636004765 /nfs/dbraw/zinc/00/47/65/636004765.db2.gz ZTOUQNXKPOSJHD-GOSISDBHSA-N 1 1 280.371 3.114 20 30 CGEDMO CC(C)(C#N)CC[N@@H+]1Cc2ccccc2N2CCC[C@@H]2C1 ZINC000880551318 636019795 /nfs/dbraw/zinc/01/97/95/636019795.db2.gz CJYQMISCTZCGAC-MRXNPFEDSA-N 1 1 283.419 3.411 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cc(F)c(OC)cc2OC)C1 ZINC000845987878 636127001 /nfs/dbraw/zinc/12/70/01/636127001.db2.gz MQEZGPXIYUKCNO-ZDUSSCGKSA-N 1 1 291.366 3.078 20 30 CGEDMO Cc1sccc1C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000846005631 636128525 /nfs/dbraw/zinc/12/85/25/636128525.db2.gz ATHRWDFPGTVLOQ-INIZCTEOSA-N 1 1 286.400 3.094 20 30 CGEDMO N#CC1(C[NH2+]Cc2c(O)cccc2Cl)CCCC1 ZINC000846010623 636129304 /nfs/dbraw/zinc/12/93/04/636129304.db2.gz LJMHEPSYCBMACF-UHFFFAOYSA-N 1 1 264.756 3.219 20 30 CGEDMO C=CCCn1cc(C[N@H+]2C[C@@H](C)C[C@@H]2c2ccccc2)nn1 ZINC000846904360 636277651 /nfs/dbraw/zinc/27/76/51/636277651.db2.gz UDJHXYPMTXGEKF-MAUKXSAKSA-N 1 1 296.418 3.437 20 30 CGEDMO CC[C@H](CC#N)[NH2+]C[C@H](O)c1ccccc1C(F)(F)F ZINC000846995014 636304010 /nfs/dbraw/zinc/30/40/10/636304010.db2.gz QYFYIQRNPGBTAP-MFKMUULPSA-N 1 1 286.297 3.021 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@@H](C)c2nc3ccccc3o2)C1 ZINC000847022606 636313800 /nfs/dbraw/zinc/31/38/00/636313800.db2.gz VUALVZYDHMUPEU-STQMWFEESA-N 1 1 254.333 3.234 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc(Br)s2)C1 ZINC000847025610 636317136 /nfs/dbraw/zinc/31/71/36/636317136.db2.gz WHGJTUIHGFBDTA-JTQLQIEISA-N 1 1 284.222 3.356 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(Br)s2)C1 ZINC000847025610 636317143 /nfs/dbraw/zinc/31/71/43/636317143.db2.gz WHGJTUIHGFBDTA-JTQLQIEISA-N 1 1 284.222 3.356 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000847028447 636318174 /nfs/dbraw/zinc/31/81/74/636318174.db2.gz YIMTXJSUQNOYFA-CYBMUJFWSA-N 1 1 284.334 3.326 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000847028447 636318181 /nfs/dbraw/zinc/31/81/81/636318181.db2.gz YIMTXJSUQNOYFA-CYBMUJFWSA-N 1 1 284.334 3.326 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000847028428 636319048 /nfs/dbraw/zinc/31/90/48/636319048.db2.gz YDVYCXJQQFNAND-LLVKDONJSA-N 1 1 278.739 3.093 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000847028428 636319050 /nfs/dbraw/zinc/31/90/50/636319050.db2.gz YDVYCXJQQFNAND-LLVKDONJSA-N 1 1 278.739 3.093 20 30 CGEDMO Cc1cc[nH+]c(NCc2ccc(O[C@@H](C)C#N)cc2)c1 ZINC000131096491 636555765 /nfs/dbraw/zinc/55/57/65/636555765.db2.gz GTHJYQUPZIUQNJ-ZDUSSCGKSA-N 1 1 267.332 3.293 20 30 CGEDMO C#CCOc1ccc(C[N@H+](C)[C@H](C)c2ccco2)cc1 ZINC000131098270 636556456 /nfs/dbraw/zinc/55/64/56/636556456.db2.gz HEEKCJMKVNRRFS-CQSZACIVSA-N 1 1 269.344 3.485 20 30 CGEDMO CC(C)c1nccnc1N=NC1CCC[N@H+]2CCCC[C@H]12 ZINC000848409650 636570038 /nfs/dbraw/zinc/57/00/38/636570038.db2.gz BANBVGYUJQGZIN-CQSZACIVSA-N 1 1 287.411 3.016 20 30 CGEDMO Cc1cccc(NCc2ccc(O[C@H](C)C#N)cc2)[nH+]1 ZINC000131201123 636582055 /nfs/dbraw/zinc/58/20/55/636582055.db2.gz NWAWOFVSNDYLGO-CYBMUJFWSA-N 1 1 267.332 3.293 20 30 CGEDMO CC(C)CC(N)=[NH+]OCc1ncc(-c2cccs2)o1 ZINC000131252877 636599286 /nfs/dbraw/zinc/59/92/86/636599286.db2.gz BAZJILAPEOEHRA-UHFFFAOYSA-N 1 1 279.365 3.238 20 30 CGEDMO C=CCCC[C@@H]([NH2+]Cc1cn(CC)nn1)c1ccccc1 ZINC000883235159 636604475 /nfs/dbraw/zinc/60/44/75/636604475.db2.gz VXCMJUYNFJPAFI-QGZVFWFLSA-N 1 1 284.407 3.485 20 30 CGEDMO Cc1cccc(-c2noc([C@@H]([NH3+])CCCCC#N)n2)c1 ZINC000848618815 636619600 /nfs/dbraw/zinc/61/96/00/636619600.db2.gz WETQCUSACJSQTJ-ZDUSSCGKSA-N 1 1 270.336 3.129 20 30 CGEDMO C#C[C@H]1CCC[N@H+](C[C@@H](C)c2ccc(OC)cc2)C1 ZINC000848924085 636696235 /nfs/dbraw/zinc/69/62/35/636696235.db2.gz NHSYLKIXEWHZOD-CABCVRRESA-N 1 1 257.377 3.144 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000848924444 636697529 /nfs/dbraw/zinc/69/75/29/636697529.db2.gz SNOTYTQFBKUDRH-CYBMUJFWSA-N 1 1 283.400 3.050 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cnc(C)n2-c2ccccc2)C1 ZINC000848924715 636697959 /nfs/dbraw/zinc/69/79/59/636697959.db2.gz YNAOIUMJQOWQQH-INIZCTEOSA-N 1 1 279.387 3.026 20 30 CGEDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886020979 637369645 /nfs/dbraw/zinc/36/96/45/637369645.db2.gz LNNAOUBFOXFIJF-QXSJWSMHSA-N 1 1 276.424 3.084 20 30 CGEDMO CCC[C@@]1(C)CCC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886027005 637372204 /nfs/dbraw/zinc/37/22/04/637372204.db2.gz AXCFFWGBLCDARX-HOTGVXAUSA-N 1 1 278.440 3.333 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)C[C@@H]1C[C@@]12CCOC2 ZINC000886030697 637372822 /nfs/dbraw/zinc/37/28/22/637372822.db2.gz RUBVKNJSBRXOPE-JKSUJKDBSA-N 1 1 264.413 3.065 20 30 CGEDMO C[C@@H](c1ccco1)[N@@H+](C[C@H](O)CC1(C#N)CCC1)C1CC1 ZINC000886077378 637401289 /nfs/dbraw/zinc/40/12/89/637401289.db2.gz YTGMAZPWHNEUTB-DZGCQCFKSA-N 1 1 288.391 3.250 20 30 CGEDMO N#C[C@@]1(c2ccccn2)CCC[N@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000886273992 637477880 /nfs/dbraw/zinc/47/78/80/637477880.db2.gz KITYBIUGCIVSKT-AOIWGVFYSA-N 1 1 295.430 3.375 20 30 CGEDMO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CC[C@@H]2C[C@H]2C2CC2)C1 ZINC000886273992 637477881 /nfs/dbraw/zinc/47/78/81/637477881.db2.gz KITYBIUGCIVSKT-AOIWGVFYSA-N 1 1 295.430 3.375 20 30 CGEDMO C[C@H](C[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1)C(C)(C)C ZINC000886314363 637495367 /nfs/dbraw/zinc/49/53/67/637495367.db2.gz VTPHNUWOXCJRNI-KGLIPLIRSA-N 1 1 266.429 3.045 20 30 CGEDMO CO[C@H](C[N@@H+](CCC#N)CC(C)C)C1CCCC1 ZINC000851778310 637498730 /nfs/dbraw/zinc/49/87/30/637498730.db2.gz GOEFFRZTACQELN-OAHLLOKOSA-N 1 1 252.402 3.063 20 30 CGEDMO C#CC[C@H]1CC[N@H+]([C@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000886353182 637509141 /nfs/dbraw/zinc/50/91/41/637509141.db2.gz CZZFCNDJQGKYBI-CABCVRRESA-N 1 1 295.386 3.451 20 30 CGEDMO CO[C@@H]1CC[C@H]([N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000851885355 637530559 /nfs/dbraw/zinc/53/05/59/637530559.db2.gz GCKMEYIGTFKLLH-ZWKOTPCHSA-N 1 1 282.387 3.215 20 30 CGEDMO C#CC[C@H]([NH2+]Cc1cc(C2CC2)no1)c1ccccc1 ZINC000851902752 637538871 /nfs/dbraw/zinc/53/88/71/637538871.db2.gz SPRBCCMDKFTUMI-INIZCTEOSA-N 1 1 266.344 3.406 20 30 CGEDMO C=C(C)CN1CCC([NH2+][C@@H](C)c2c(O)cccc2F)CC1 ZINC000886525157 637553235 /nfs/dbraw/zinc/55/32/35/637553235.db2.gz YQTNUARHWMGROI-ZDUSSCGKSA-N 1 1 292.398 3.222 20 30 CGEDMO C=CCOc1ccccc1C[NH2+][C@H]1CCc2cccnc21 ZINC000886526866 637553311 /nfs/dbraw/zinc/55/33/11/637553311.db2.gz UEJQNDYOPZKQQD-INIZCTEOSA-N 1 1 280.371 3.424 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+][C@@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000852098482 637593172 /nfs/dbraw/zinc/59/31/72/637593172.db2.gz OISOJINCMRRCEK-GUYCJALGSA-N 1 1 283.375 3.498 20 30 CGEDMO Cc1ccc2c(C[N@H+]3CCC[C@H](CC#N)C3)cc(=O)oc2c1 ZINC000852319494 637633625 /nfs/dbraw/zinc/63/36/25/637633625.db2.gz NRSULRGZGPQNTM-CQSZACIVSA-N 1 1 296.370 3.227 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000852320305 637634620 /nfs/dbraw/zinc/63/46/20/637634620.db2.gz YTVWJMWFKGKGGR-XHDPSFHLSA-N 1 1 296.773 3.138 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000852320305 637634621 /nfs/dbraw/zinc/63/46/21/637634621.db2.gz YTVWJMWFKGKGGR-XHDPSFHLSA-N 1 1 296.773 3.138 20 30 CGEDMO N#Cc1ccc(OCCC[N@@H+]2CCC[C@@H](CCF)C2)cc1 ZINC000852532721 637673433 /nfs/dbraw/zinc/67/34/33/637673433.db2.gz LNYIARGEIWLXBV-INIZCTEOSA-N 1 1 290.382 3.399 20 30 CGEDMO C=CC[N@@H+](C[C@H]1CN(c2ccccc2)C(=O)O1)C(C)(C)C ZINC000852554490 637678628 /nfs/dbraw/zinc/67/86/28/637678628.db2.gz OPDIPRQXOHGEQF-HNNXBMFYSA-N 1 1 288.391 3.298 20 30 CGEDMO Clc1ccc(C#CC[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)cc1 ZINC000886815942 637702820 /nfs/dbraw/zinc/70/28/20/637702820.db2.gz LUAULWLQTLZOPS-WBVHZDCISA-N 1 1 289.806 3.192 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886821408 637706885 /nfs/dbraw/zinc/70/68/85/637706885.db2.gz BVLXMAWTVIEVHE-CJNGLKHVSA-N 1 1 290.794 3.213 20 30 CGEDMO C#Cc1cccnc1N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000853154846 637772848 /nfs/dbraw/zinc/77/28/48/637772848.db2.gz HAPUGORLLLDGTO-SFHVURJKSA-N 1 1 291.398 3.139 20 30 CGEDMO C#Cc1cccnc1N1CCC(C[N@H+](C)CCCC)CC1 ZINC000853204760 637780536 /nfs/dbraw/zinc/78/05/36/637780536.db2.gz UAAJRBIYFDIOJJ-UHFFFAOYSA-N 1 1 285.435 3.011 20 30 CGEDMO COc1ccc2ccc(O)c(C[N@H+]3CC[C@@](C)(C#N)C3)c2c1 ZINC000853599552 637871580 /nfs/dbraw/zinc/87/15/80/637871580.db2.gz ROHRRPSQKWQLMN-SFHVURJKSA-N 1 1 296.370 3.290 20 30 CGEDMO C[C@H]1C[C@@H]1C(N)=[NH+]OCc1ccc(C#N)cc1C(F)(F)F ZINC000853730309 637903164 /nfs/dbraw/zinc/90/31/64/637903164.db2.gz DZDAVQGIPOSYKV-KWQFWETISA-N 1 1 297.280 3.232 20 30 CGEDMO Cc1ccccc1[C@H](C)[N@@H+](CC(C)C)C[C@H](O)CC#N ZINC000930369459 638253782 /nfs/dbraw/zinc/25/37/82/638253782.db2.gz BIBCEUKTWFHNGM-JKSUJKDBSA-N 1 1 274.408 3.289 20 30 CGEDMO C=C1CC(c2noc([C@@H]3CC[N@@H+]3C3CCCC3)n2)C1 ZINC000924122487 638302417 /nfs/dbraw/zinc/30/24/17/638302417.db2.gz KCCSPJBIYUECBY-ZDUSSCGKSA-N 1 1 259.353 3.193 20 30 CGEDMO C=C1CC(c2noc([C@@H]3CC[N@H+]3C3CCCC3)n2)C1 ZINC000924122487 638302425 /nfs/dbraw/zinc/30/24/25/638302425.db2.gz KCCSPJBIYUECBY-ZDUSSCGKSA-N 1 1 259.353 3.193 20 30 CGEDMO C=C1CCN(C(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000857117539 638458724 /nfs/dbraw/zinc/45/87/24/638458724.db2.gz LQOCIDJSNWSTLA-GOSISDBHSA-N 1 1 298.430 3.288 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858046522 638622494 /nfs/dbraw/zinc/62/24/94/638622494.db2.gz OBWTWXAQFPFWFU-MRXNPFEDSA-N 1 1 272.392 3.378 20 30 CGEDMO CC[C@H](C)c1nnc([C@@H](C)[NH2+][C@H](C)CC(C)(C)C#N)[nH]1 ZINC000926274534 638757792 /nfs/dbraw/zinc/75/77/92/638757792.db2.gz BEBCPRSANCUTEW-QJPTWQEYSA-N 1 1 277.416 3.297 20 30 CGEDMO CC(C)(CC#N)C[NH2+][C@@H]1COCc2cccc(Cl)c21 ZINC000926569763 638786531 /nfs/dbraw/zinc/78/65/31/638786531.db2.gz UWSGQXHXUWORNJ-CYBMUJFWSA-N 1 1 278.783 3.441 20 30 CGEDMO N#CC1(CN[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CCCCC1 ZINC000926711371 638802239 /nfs/dbraw/zinc/80/22/39/638802239.db2.gz MWMUQBMWZMHYCM-HOTGVXAUSA-N 1 1 275.440 3.067 20 30 CGEDMO N#CC1(CN[C@H]2CCC[N@H+]3CCCC[C@@H]23)CCCCC1 ZINC000926711371 638802242 /nfs/dbraw/zinc/80/22/42/638802242.db2.gz MWMUQBMWZMHYCM-HOTGVXAUSA-N 1 1 275.440 3.067 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1ccnn1C1CCC1 ZINC000926879235 638820725 /nfs/dbraw/zinc/82/07/25/638820725.db2.gz JULUAHMQZGXMJU-CYBMUJFWSA-N 1 1 272.396 3.343 20 30 CGEDMO CC[C@@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1cccc(C#N)c1 ZINC000927107740 638843047 /nfs/dbraw/zinc/84/30/47/638843047.db2.gz JDGHZTGUFIXXND-QGZVFWFLSA-N 1 1 294.402 3.410 20 30 CGEDMO C[N@H+](Cc1ccccc1[N+](=O)[O-])CC1CCC(C#N)CC1 ZINC000929164078 638904154 /nfs/dbraw/zinc/90/41/54/638904154.db2.gz GRCFKSBNSVBTSN-UHFFFAOYSA-N 1 1 287.363 3.357 20 30 CGEDMO C[N@@H+](Cc1cncc(C#N)c1)[C@@H]1CCc2ccccc21 ZINC000929246519 638911875 /nfs/dbraw/zinc/91/18/75/638911875.db2.gz PVFORVRRGVUIMS-QGZVFWFLSA-N 1 1 263.344 3.073 20 30 CGEDMO C=CC[N@H+](CCc1ccns1)Cc1ccc(OC)cc1 ZINC000929318332 638918002 /nfs/dbraw/zinc/91/80/02/638918002.db2.gz URKOPIXLYPRKGU-UHFFFAOYSA-N 1 1 288.416 3.382 20 30 CGEDMO C[N@@H+](CCCCC1(C#N)CCC1)C[C@@H]1CCCCO1 ZINC000929327763 638919114 /nfs/dbraw/zinc/91/91/14/638919114.db2.gz KSSGPUBUBYXEQQ-HNNXBMFYSA-N 1 1 264.413 3.351 20 30 CGEDMO C[C@@H](O)[C@H]1CCCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000929596189 638933083 /nfs/dbraw/zinc/93/30/83/638933083.db2.gz XUCUHKAKBOCABC-HUUCEWRRSA-N 1 1 264.413 3.086 20 30 CGEDMO CCOCC[N@@H+](CC)CCCCC1(C#N)CCC1 ZINC000929602079 638933608 /nfs/dbraw/zinc/93/36/08/638933608.db2.gz ZNHNGAQXOHJERF-UHFFFAOYSA-N 1 1 252.402 3.209 20 30 CGEDMO C[N@@H+](CCCCC1(C#N)CCC1)C[C@@H]1CCCOC1 ZINC000929609260 638933992 /nfs/dbraw/zinc/93/39/92/638933992.db2.gz VJBSAYQHNAWRDJ-HNNXBMFYSA-N 1 1 264.413 3.209 20 30 CGEDMO N#CC[C@@H](O)C[N@H+]1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000929727456 638945448 /nfs/dbraw/zinc/94/54/48/638945448.db2.gz ZYDJSNWHQGIHIF-MOPGFXCFSA-N 1 1 292.382 3.061 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)c1 ZINC000929825435 638954750 /nfs/dbraw/zinc/95/47/50/638954750.db2.gz LQMKEFSCLRNOGZ-HOCLYGCPSA-N 1 1 290.794 3.213 20 30 CGEDMO COC(C)(C)C[N@@H+](C)CCCCC1(C#N)CCC1 ZINC000929832970 638955724 /nfs/dbraw/zinc/95/57/24/638955724.db2.gz WMGBDLDIRTUPJJ-UHFFFAOYSA-N 1 1 252.402 3.207 20 30 CGEDMO CC(C)C[N@@H+](Cc1cncc(C#N)c1)CC(C)(C)C ZINC000929838196 638956374 /nfs/dbraw/zinc/95/63/74/638956374.db2.gz GMCBNLXOWDBBCS-UHFFFAOYSA-N 1 1 259.397 3.457 20 30 CGEDMO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1cncc(C#N)c1)CCC2 ZINC000929977284 638965773 /nfs/dbraw/zinc/96/57/73/638965773.db2.gz WTYKYWAJXPJESW-HNNXBMFYSA-N 1 1 298.415 3.228 20 30 CGEDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cncc(C#N)c1)CCC2 ZINC000929977284 638965775 /nfs/dbraw/zinc/96/57/75/638965775.db2.gz WTYKYWAJXPJESW-HNNXBMFYSA-N 1 1 298.415 3.228 20 30 CGEDMO C[N@@H+](CCCCC1(C#N)CCC1)CC1CCOCC1 ZINC000930154202 638977889 /nfs/dbraw/zinc/97/78/89/638977889.db2.gz AIMJVRWOIMOEOY-UHFFFAOYSA-N 1 1 264.413 3.209 20 30 CGEDMO C[C@H]([NH2+]C[C@H](O)CC#N)c1cc(F)c(Cl)cc1Cl ZINC000930182692 638980710 /nfs/dbraw/zinc/98/07/10/638980710.db2.gz KAEMDRUHKDCXGS-JGVFFNPUSA-N 1 1 291.153 3.058 20 30 CGEDMO C[C@H]1C[C@@H](N2CCCC2)C[N@@H+]1CCCCC1(C#N)CCC1 ZINC000930456939 639002951 /nfs/dbraw/zinc/00/29/51/639002951.db2.gz KDIUXZYYCHHTHE-DLBZAZTESA-N 1 1 289.467 3.409 20 30 CGEDMO C[C@H]1C[C@@H](N2CCCC2)C[N@H+]1CCCCC1(C#N)CCC1 ZINC000930456939 639002953 /nfs/dbraw/zinc/00/29/53/639002953.db2.gz KDIUXZYYCHHTHE-DLBZAZTESA-N 1 1 289.467 3.409 20 30 CGEDMO CC[N@H+](Cc1cc(Cl)cc(C#N)c1)C[C@@H](C)OC ZINC000930539952 639022274 /nfs/dbraw/zinc/02/22/74/639022274.db2.gz PCBVOXRYSQDKDK-LLVKDONJSA-N 1 1 266.772 3.068 20 30 CGEDMO COCC(C)(C)[N@@H+](C)CCCCC1(C#N)CCC1 ZINC000930554777 639024495 /nfs/dbraw/zinc/02/44/95/639024495.db2.gz OIOFSYHLOIFQNW-UHFFFAOYSA-N 1 1 252.402 3.207 20 30 CGEDMO CC(C)n1cnnc1C[N@H+](C)CCCCC1(C#N)CCC1 ZINC000930558695 639025198 /nfs/dbraw/zinc/02/51/98/639025198.db2.gz DCSPQFKGOKIIEA-UHFFFAOYSA-N 1 1 289.427 3.155 20 30 CGEDMO CC(C)n1cnnc1C[N@@H+](C)CCCCC1(C#N)CCC1 ZINC000930558695 639025203 /nfs/dbraw/zinc/02/52/03/639025203.db2.gz DCSPQFKGOKIIEA-UHFFFAOYSA-N 1 1 289.427 3.155 20 30 CGEDMO C#CC[C@@H](CCOC)Nc1[nH+]ccc2ccccc21 ZINC000858858656 639031521 /nfs/dbraw/zinc/03/15/21/639031521.db2.gz NOWIURJVXDGPRD-AWEZNQCLSA-N 1 1 254.333 3.075 20 30 CGEDMO N#CC1CCC(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)CC1 ZINC000930612948 639038388 /nfs/dbraw/zinc/03/83/88/639038388.db2.gz YVNGOKREQOFADT-NHHFINERSA-N 1 1 290.451 3.332 20 30 CGEDMO N#CC1CCC(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)CC1 ZINC000930715352 639058400 /nfs/dbraw/zinc/05/84/00/639058400.db2.gz PZPSUWBVHOKHRC-NANBGGJNSA-N 1 1 284.403 3.124 20 30 CGEDMO CCc1ncc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)o1 ZINC000930765531 639065710 /nfs/dbraw/zinc/06/57/10/639065710.db2.gz ZEQXCYMNCFXVSU-GFCCVEGCSA-N 1 1 269.348 3.302 20 30 CGEDMO CCc1ncc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)o1 ZINC000930765531 639065714 /nfs/dbraw/zinc/06/57/14/639065714.db2.gz ZEQXCYMNCFXVSU-GFCCVEGCSA-N 1 1 269.348 3.302 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](C[C@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000930815442 639071167 /nfs/dbraw/zinc/07/11/67/639071167.db2.gz COYKDZAULAFPLR-MCIONIFRSA-N 1 1 289.341 3.222 20 30 CGEDMO CC[N@@H+](CCCCC1(C#N)CCC1)[C@H]1CCCOC1 ZINC000930851820 639076513 /nfs/dbraw/zinc/07/65/13/639076513.db2.gz BCOHDCGHGFTUOR-HNNXBMFYSA-N 1 1 264.413 3.351 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)[C@H]1CCO ZINC000930971442 639093417 /nfs/dbraw/zinc/09/34/17/639093417.db2.gz QMODUGFUWLCZRO-WBMJQRKESA-N 1 1 292.810 3.195 20 30 CGEDMO C[C@@H]1[C@@H](N(C)C)CC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000931046067 639102064 /nfs/dbraw/zinc/10/20/64/639102064.db2.gz SIKBMANMDURPPB-PBHICJAKSA-N 1 1 285.435 3.012 20 30 CGEDMO C[C@@H]1[C@@H](N(C)C)CC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000931046067 639102066 /nfs/dbraw/zinc/10/20/66/639102066.db2.gz SIKBMANMDURPPB-PBHICJAKSA-N 1 1 285.435 3.012 20 30 CGEDMO N#CC1CCC(C[N@@H+]2CCCC(F)(F)CC2)CC1 ZINC000931174001 639121531 /nfs/dbraw/zinc/12/15/31/639121531.db2.gz IFUJFHRYJGLACM-UHFFFAOYSA-N 1 1 256.340 3.438 20 30 CGEDMO C=CC[C@H]1CC[N@H+](C[C@H](O)c2cccc(Cl)c2)C1 ZINC000859444560 639141851 /nfs/dbraw/zinc/14/18/51/639141851.db2.gz SMKCEXXRCVNPEE-WFASDCNBSA-N 1 1 265.784 3.271 20 30 CGEDMO C=C(C)CC[N@H+]1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC000931794965 639206190 /nfs/dbraw/zinc/20/61/90/639206190.db2.gz DIODDWXQMGMGEO-KRWDZBQOSA-N 1 1 267.376 3.323 20 30 CGEDMO C=CCCCCC[N@@H+](C)Cc1ncc(Br)cn1 ZINC000931864453 639221703 /nfs/dbraw/zinc/22/17/03/639221703.db2.gz YCYQMULMEAVTSE-UHFFFAOYSA-N 1 1 298.228 3.417 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1ncc(Br)cn1 ZINC000931864453 639221708 /nfs/dbraw/zinc/22/17/08/639221708.db2.gz YCYQMULMEAVTSE-UHFFFAOYSA-N 1 1 298.228 3.417 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000859885095 639250224 /nfs/dbraw/zinc/25/02/24/639250224.db2.gz SMYIYEGQJRHFOG-VKJFTORMSA-N 1 1 271.470 3.332 20 30 CGEDMO C=C(Cl)C[N@@H+]1Cc2ccccc2OC2(CCOCC2)C1 ZINC000932036385 639253391 /nfs/dbraw/zinc/25/33/91/639253391.db2.gz CGKOROCQIFLEBU-UHFFFAOYSA-N 1 1 293.794 3.183 20 30 CGEDMO C=C(Cl)C[N@H+]1Cc2ccccc2OC2(CCOCC2)C1 ZINC000932036385 639253399 /nfs/dbraw/zinc/25/33/99/639253399.db2.gz CGKOROCQIFLEBU-UHFFFAOYSA-N 1 1 293.794 3.183 20 30 CGEDMO C=C(C)CC[N@H+]1Cc2ccccc2OC2(CCOCC2)C1 ZINC000932040703 639254894 /nfs/dbraw/zinc/25/48/94/639254894.db2.gz PFHMXKKPULIKNH-UHFFFAOYSA-N 1 1 287.403 3.396 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859927878 639255596 /nfs/dbraw/zinc/25/55/96/639255596.db2.gz BOHOLFPKANQQGA-BSWAZPDLSA-N 1 1 254.377 3.414 20 30 CGEDMO C#CC[N@H+](Cc1cc(-c2cccs2)on1)C(C)C ZINC000932393067 639324134 /nfs/dbraw/zinc/32/41/34/639324134.db2.gz AIGYODIPOSQSJX-UHFFFAOYSA-N 1 1 260.362 3.247 20 30 CGEDMO C#CC[N@@H+](Cc1cc(-c2cccs2)on1)C(C)C ZINC000932393067 639324141 /nfs/dbraw/zinc/32/41/41/639324141.db2.gz AIGYODIPOSQSJX-UHFFFAOYSA-N 1 1 260.362 3.247 20 30 CGEDMO CC(C)C[N@@H+](Cc1ccc(C#N)o1)Cc1ccccn1 ZINC000932445988 639332292 /nfs/dbraw/zinc/33/22/92/639332292.db2.gz FLVYTRSHYFJXRL-UHFFFAOYSA-N 1 1 269.348 3.204 20 30 CGEDMO C#CC[N@@H+](Cc1cncc(C(F)(F)F)c1)C(C)(C)C ZINC000932461369 639338258 /nfs/dbraw/zinc/33/82/58/639338258.db2.gz AWZDHPBEXTTYEQ-UHFFFAOYSA-N 1 1 270.298 3.334 20 30 CGEDMO Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@H](C#N)CCC#N ZINC000932555055 639350444 /nfs/dbraw/zinc/35/04/44/639350444.db2.gz CAADQBUGKHDCBP-OLZOCXBDSA-N 1 1 259.328 3.228 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCn3nc(C4CC4)cc3C2)CCC1 ZINC000932600414 639365701 /nfs/dbraw/zinc/36/57/01/639365701.db2.gz AWYBQNYFODACKP-UHFFFAOYSA-N 1 1 298.434 3.440 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@]1(C)Cc1cccs1 ZINC000932927385 639400688 /nfs/dbraw/zinc/40/06/88/639400688.db2.gz QKAHGTDQOCMONY-UKRRQHHQSA-N 1 1 278.421 3.074 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000933268827 639434589 /nfs/dbraw/zinc/43/45/89/639434589.db2.gz IXGSNLSYEXRBAG-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C[C@]1([NH2+]Cc2cccc(C#N)c2F)CCOc2ccccc21 ZINC000933367852 639442013 /nfs/dbraw/zinc/44/20/13/639442013.db2.gz AGPMUUJOQNRVFD-SFHVURJKSA-N 1 1 296.345 3.485 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933711289 639482383 /nfs/dbraw/zinc/48/23/83/639482383.db2.gz ATSCTVOHMIFUHX-NWDGAFQWSA-N 1 1 297.324 3.087 20 30 CGEDMO Cc1cccc(C)c1C[N@@H+](C)Cc1ccc(C#N)o1 ZINC000933762952 639485558 /nfs/dbraw/zinc/48/55/58/639485558.db2.gz LQYVMWQZQLYBIJ-UHFFFAOYSA-N 1 1 254.333 3.400 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000933820417 639495365 /nfs/dbraw/zinc/49/53/65/639495365.db2.gz VJZFTGLBDFLZPL-AWEZNQCLSA-N 1 1 295.386 3.186 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1[C@H](C)C(=O)Nc1cc(F)ccc1C ZINC000934473460 639616856 /nfs/dbraw/zinc/61/68/56/639616856.db2.gz YNXZSXGAUFHPPD-OCCSQVGLSA-N 1 1 276.355 3.112 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1cc(F)ccc1C ZINC000934473460 639616864 /nfs/dbraw/zinc/61/68/64/639616864.db2.gz YNXZSXGAUFHPPD-OCCSQVGLSA-N 1 1 276.355 3.112 20 30 CGEDMO CC(C)(C#N)CCC[N@@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC000934488106 639621508 /nfs/dbraw/zinc/62/15/08/639621508.db2.gz AGLSAOMIDYOGIE-HNNXBMFYSA-N 1 1 298.434 3.196 20 30 CGEDMO CCOc1ccc(CC[N@@H+](C)[C@@H](C)CCC#N)cc1 ZINC000934722741 639666868 /nfs/dbraw/zinc/66/68/68/639666868.db2.gz YPZUPGMDDCCSRY-AWEZNQCLSA-N 1 1 260.381 3.252 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000934839611 639688570 /nfs/dbraw/zinc/68/85/70/639688570.db2.gz WTKQTZLISMDUBI-HZPDHXFCSA-N 1 1 278.440 3.455 20 30 CGEDMO Cc1nc(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)cs1 ZINC000041010554 639898538 /nfs/dbraw/zinc/89/85/38/639898538.db2.gz KRPMURRWEFBMNE-LLVKDONJSA-N 1 1 287.388 3.205 20 30 CGEDMO C#CCOc1ccccc1C[NH2+]Cc1ccc(Cl)o1 ZINC000078378728 640307474 /nfs/dbraw/zinc/30/74/74/640307474.db2.gz IWKQGFCLWVHSQM-UHFFFAOYSA-N 1 1 275.735 3.235 20 30 CGEDMO C#CC[N@H+](C)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000192238034 640361161 /nfs/dbraw/zinc/36/11/61/640361161.db2.gz FZBULENKKXEMNP-UHFFFAOYSA-N 1 1 275.355 3.066 20 30 CGEDMO C=CCc1cc(OCC)cc(C[N@@H+](C)C2CC2)c1O ZINC000193994322 640505447 /nfs/dbraw/zinc/50/54/47/640505447.db2.gz VDLUCNDUWUJHNL-UHFFFAOYSA-N 1 1 261.365 3.114 20 30 CGEDMO C[C@H]1CC[C@H](C)[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000088704526 640621434 /nfs/dbraw/zinc/62/14/34/640621434.db2.gz WGHQWSLUOVBVMP-GJZGRUSLSA-N 1 1 272.392 3.448 20 30 CGEDMO C#CC[N@H+](CCSCC)[C@H]1CCc2ccccc21 ZINC000303748257 640840838 /nfs/dbraw/zinc/84/08/38/640840838.db2.gz GXLWUTWKOKUSTF-INIZCTEOSA-N 1 1 259.418 3.362 20 30 CGEDMO CC(C)C[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000305086400 640880605 /nfs/dbraw/zinc/88/06/05/640880605.db2.gz ULMOHFHFZHVZQB-IAGOWNOFSA-N 1 1 272.392 3.102 20 30 CGEDMO CC(C)C[C@H]1CCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000305086404 640880891 /nfs/dbraw/zinc/88/08/91/640880891.db2.gz ULMOHFHFZHVZQB-SJORKVTESA-N 1 1 272.392 3.102 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(Cl)c2C)C1 ZINC001007397346 640940739 /nfs/dbraw/zinc/94/07/39/640940739.db2.gz RZFBDPSWIUNDAK-ZDUSSCGKSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2csc(C)c2)C1 ZINC001008878142 640954392 /nfs/dbraw/zinc/95/43/92/640954392.db2.gz VSVCWSZTADUKBX-HNNXBMFYSA-N 1 1 292.448 3.217 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C(C)C)c2)C1 ZINC001009088112 640955289 /nfs/dbraw/zinc/95/52/89/640955289.db2.gz PIRDLTFPNOLNMZ-GOSISDBHSA-N 1 1 298.430 3.028 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)CC2CCC(C)(C)CC2)C1 ZINC001009778152 640962734 /nfs/dbraw/zinc/96/27/34/640962734.db2.gz MABHMCMAOLDYLX-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2cccs2)C1 ZINC001015694620 640984502 /nfs/dbraw/zinc/98/45/02/640984502.db2.gz WQBXLNCLTJVUDJ-KBPBESRZSA-N 1 1 292.448 3.008 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(C(C)C)c2)C1 ZINC001015943913 640987707 /nfs/dbraw/zinc/98/77/07/640987707.db2.gz WMMFQZHZRQTGAB-QGZVFWFLSA-N 1 1 286.419 3.190 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cccc(C3CCC3)c2)C1 ZINC001015995277 640989355 /nfs/dbraw/zinc/98/93/55/640989355.db2.gz RNTQOKHBPWWWEB-GOSISDBHSA-N 1 1 298.430 3.334 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc3cccc(C)c3o2)C1 ZINC001016343772 640995036 /nfs/dbraw/zinc/99/50/36/640995036.db2.gz NDDZAGXYQFRPIS-HNNXBMFYSA-N 1 1 298.386 3.121 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)c1ccccc1 ZINC001018241204 641020514 /nfs/dbraw/zinc/02/05/14/641020514.db2.gz YUSTXTYSBPPLBJ-RYQLBKOJSA-N 1 1 298.430 3.041 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)c1ccccc1 ZINC001018241204 641020519 /nfs/dbraw/zinc/02/05/19/641020519.db2.gz YUSTXTYSBPPLBJ-RYQLBKOJSA-N 1 1 298.430 3.041 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H](C)CC1 ZINC001018194492 641020711 /nfs/dbraw/zinc/02/07/11/641020711.db2.gz AXUROZJXZKDBLR-KGASUQACSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H](C)CC1 ZINC001018194492 641020714 /nfs/dbraw/zinc/02/07/14/641020714.db2.gz AXUROZJXZKDBLR-KGASUQACSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C)c1C ZINC001018229147 641020743 /nfs/dbraw/zinc/02/07/43/641020743.db2.gz CBZJUMXZYUQHTP-CALCHBBNSA-N 1 1 298.430 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C)c1C ZINC001018229147 641020747 /nfs/dbraw/zinc/02/07/47/641020747.db2.gz CBZJUMXZYUQHTP-CALCHBBNSA-N 1 1 298.430 3.168 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)CC1CCC1 ZINC001155484685 805585794 /nfs/dbraw/zinc/58/57/94/805585794.db2.gz NCLQDKHGLKOKLD-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)C(C)C ZINC001155573403 805595732 /nfs/dbraw/zinc/59/57/32/805595732.db2.gz WOWSNPOQSCVTDZ-HUUCEWRRSA-N 1 1 268.445 3.071 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)CC1CCCC1 ZINC001155607888 805596918 /nfs/dbraw/zinc/59/69/18/805596918.db2.gz ZKVNNRBNTWKRNZ-JKSUJKDBSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(C)cc1 ZINC001156567064 805714105 /nfs/dbraw/zinc/71/41/05/805714105.db2.gz LMHZSJIUOJIDTB-OAHLLOKOSA-N 1 1 274.408 3.011 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)CCC[Si](C)(C)C ZINC001156678746 805724884 /nfs/dbraw/zinc/72/48/84/805724884.db2.gz IIPIERKTIBYWLD-UHFFFAOYSA-N 1 1 284.520 3.071 20 30 CGEDMO Cc1c[nH+]c(NCc2ccccc2C#N)nc1NC(C)C ZINC001156783547 805734032 /nfs/dbraw/zinc/73/40/32/805734032.db2.gz BSAUNVUYFMNDDC-UHFFFAOYSA-N 1 1 281.363 3.089 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](CCC)CC(C)C ZINC001157190248 805788276 /nfs/dbraw/zinc/78/82/76/805788276.db2.gz HKXCSYHUBQCDIJ-SJORKVTESA-N 1 1 294.483 3.299 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](CCC)CC(C)C ZINC001157190501 805788354 /nfs/dbraw/zinc/78/83/54/805788354.db2.gz NQIAVOIPKJBVBD-IAGOWNOFSA-N 1 1 294.483 3.299 20 30 CGEDMO C=C(C)C(=O)OCCNc1[nH+]ccc2c(C)cccc21 ZINC001157305199 805795134 /nfs/dbraw/zinc/79/51/34/805795134.db2.gz ZDIAJVLEWCIYCD-UHFFFAOYSA-N 1 1 270.332 3.074 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)C1CCC1 ZINC001157417018 805808838 /nfs/dbraw/zinc/80/88/38/805808838.db2.gz QTBDAGBYBKIZLQ-DOTOQJQBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)C(C)(C)F ZINC001157428337 805810023 /nfs/dbraw/zinc/81/00/23/805810023.db2.gz XHMQXLUZZSNFPH-LSDHHAIUSA-N 1 1 298.446 3.402 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC(C)C ZINC001157470586 805818569 /nfs/dbraw/zinc/81/85/69/805818569.db2.gz GKUNEQLYWUZACR-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCCCC ZINC001157554490 805834658 /nfs/dbraw/zinc/83/46/58/805834658.db2.gz HLRJCSORLMLGKW-MRXNPFEDSA-N 1 1 280.456 3.456 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC1(C)C ZINC001157818329 805878232 /nfs/dbraw/zinc/87/82/32/805878232.db2.gz IQAPXRDEFUCHJH-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO Cc1ccc(CC#N)c(N[C@@H](C)CCCC(C)(C)O)[nH+]1 ZINC001157898177 805901148 /nfs/dbraw/zinc/90/11/48/805901148.db2.gz VEUKHEUIZCJZIF-LBPRGKRZSA-N 1 1 275.396 3.198 20 30 CGEDMO CC(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C#CC(C)(C)C ZINC001157919686 805902874 /nfs/dbraw/zinc/90/28/74/805902874.db2.gz KSOUWRLBFOAJTR-MRXNPFEDSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)CC[C@H](C)F ZINC001158018722 805915628 /nfs/dbraw/zinc/91/56/28/805915628.db2.gz HZJHFYCCFUZWNX-JKSUJKDBSA-N 1 1 298.446 3.404 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCCF ZINC001158342137 805942583 /nfs/dbraw/zinc/94/25/83/805942583.db2.gz XTFVUWUWVQRUHQ-OAHLLOKOSA-N 1 1 284.419 3.015 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC(=C)C ZINC001158370173 805945756 /nfs/dbraw/zinc/94/57/56/805945756.db2.gz QJAJVQBYPLPWDJ-DLBZAZTESA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CC1 ZINC001158370192 805946546 /nfs/dbraw/zinc/94/65/46/805946546.db2.gz QWVJWUMIJYGRLD-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1csc(C)c1 ZINC001158605107 805972832 /nfs/dbraw/zinc/97/28/32/805972832.db2.gz MOKFSIFHPMXJJX-OAHLLOKOSA-N 1 1 292.448 3.169 20 30 CGEDMO C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](CC)CCC ZINC001158667344 805982002 /nfs/dbraw/zinc/98/20/02/805982002.db2.gz PDTIBOYJQKNXAO-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccc(C)cc1 ZINC001158781428 806001304 /nfs/dbraw/zinc/00/13/04/806001304.db2.gz QVKCCQGDZUKEOA-QGZVFWFLSA-N 1 1 286.419 3.108 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@H](OC)C1 ZINC001252121013 806007240 /nfs/dbraw/zinc/00/72/40/806007240.db2.gz BAYXWCSBFCMPEU-HOTGVXAUSA-N 1 1 271.445 3.209 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@@H](O)[C@H](C)C1 ZINC001252123549 806010643 /nfs/dbraw/zinc/01/06/43/806010643.db2.gz IXQDHNAQKMVDQM-IXDOHACOSA-N 1 1 285.472 3.191 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+](CC)CCn1ccnc1 ZINC001252132165 806017389 /nfs/dbraw/zinc/01/73/89/806017389.db2.gz AONKUZNLZJQNGF-QGZVFWFLSA-N 1 1 295.471 3.317 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H](C)C1CC1 ZINC001158928300 806023579 /nfs/dbraw/zinc/02/35/79/806023579.db2.gz SKIBYZHMRDLBPH-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO N#Cc1c2c(sc1NC1=CCC[NH2+]CC1)CCCC2 ZINC001159112711 806044110 /nfs/dbraw/zinc/04/41/10/806044110.db2.gz FKJXXSAKXZEMLX-UHFFFAOYSA-N 1 1 273.405 3.178 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)c2cccc(C)c2)CC1 ZINC001159136690 806047671 /nfs/dbraw/zinc/04/76/71/806047671.db2.gz DYYXQAVZHVVROU-UHFFFAOYSA-N 1 1 298.430 3.323 20 30 CGEDMO C=C[C@@](C)(O)C[N@@H+](Cc1ccccc1)Cc1ccncc1 ZINC001252548369 806061393 /nfs/dbraw/zinc/06/13/93/806061393.db2.gz QUVDINBKMZTCIC-GOSISDBHSA-N 1 1 282.387 3.021 20 30 CGEDMO C=C[C@](C)(O)CNc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC001252566192 806069893 /nfs/dbraw/zinc/06/98/93/806069893.db2.gz ZWOFOJACSUMYLC-SFHVURJKSA-N 1 1 299.418 3.404 20 30 CGEDMO C=C(Cl)C[N@H+]1CC=C(CCNC(=O)CCCC)CC1 ZINC001159274597 806071957 /nfs/dbraw/zinc/07/19/57/806071957.db2.gz LUNPTHZPMHVLGL-UHFFFAOYSA-N 1 1 284.831 3.068 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)CCCC)CC1 ZINC001159274597 806071966 /nfs/dbraw/zinc/07/19/66/806071966.db2.gz LUNPTHZPMHVLGL-UHFFFAOYSA-N 1 1 284.831 3.068 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](C)[C@@H](CCC)C(=O)c1ccccc1 ZINC001252603621 806083457 /nfs/dbraw/zinc/08/34/57/806083457.db2.gz CGCMIJKFBGYOQB-IRXDYDNUSA-N 1 1 289.419 3.297 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@@H](CCC)C(=O)c1ccccc1 ZINC001252603621 806083470 /nfs/dbraw/zinc/08/34/70/806083470.db2.gz CGCMIJKFBGYOQB-IRXDYDNUSA-N 1 1 289.419 3.297 20 30 CGEDMO C=C(Cl)C[N@H+]1CC=C(CCNC(=O)/C(C)=C\CC)CC1 ZINC001159487744 806112148 /nfs/dbraw/zinc/11/21/48/806112148.db2.gz BJJOQFCYLYCROF-ACAGNQJTSA-N 1 1 296.842 3.234 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)/C(C)=C\CC)CC1 ZINC001159487744 806112152 /nfs/dbraw/zinc/11/21/52/806112152.db2.gz BJJOQFCYLYCROF-ACAGNQJTSA-N 1 1 296.842 3.234 20 30 CGEDMO CCC[C@H](O)C[N@@H+](CCC#N)C1CCCCCCC1 ZINC001252783413 806112660 /nfs/dbraw/zinc/11/26/60/806112660.db2.gz FRTUHMISQVEWSL-INIZCTEOSA-N 1 1 266.429 3.476 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[N@H+]1CC[C@@](C)(O)C1 ZINC001252979283 806144142 /nfs/dbraw/zinc/14/41/42/806144142.db2.gz JPAGNSFCVCAKEJ-IAGOWNOFSA-N 1 1 285.472 3.335 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[N@H+]1CCC[C@H](O)C1 ZINC001252979660 806145477 /nfs/dbraw/zinc/14/54/77/806145477.db2.gz MCWQAKMXWLYRGV-SJORKVTESA-N 1 1 285.472 3.335 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[NH2+]Cc1ncccn1 ZINC001252979723 806145815 /nfs/dbraw/zinc/14/58/15/806145815.db2.gz MTFHEKAQEUULOR-MRXNPFEDSA-N 1 1 293.455 3.458 20 30 CGEDMO C=C(C)C[N@H+](CC)C[C@H](O)COC[C@@H](CC)CCCC ZINC001253006704 806152955 /nfs/dbraw/zinc/15/29/55/806152955.db2.gz LSENPICNGKIQGA-IRXDYDNUSA-N 1 1 285.472 3.478 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)C=C(CC)CC)CC1 ZINC001159788246 806173790 /nfs/dbraw/zinc/17/37/90/806173790.db2.gz GDQMVAGBEJIVIV-UHFFFAOYSA-N 1 1 290.451 3.447 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1CC[C@H](OCCC)C1 ZINC001253238454 806189863 /nfs/dbraw/zinc/18/98/63/806189863.db2.gz DYPGELLNQPGMKW-SJORKVTESA-N 1 1 283.456 3.375 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCCOC(C)(C)C1 ZINC001253240104 806190059 /nfs/dbraw/zinc/19/00/59/806190059.db2.gz ZGHUZCDHCWSIEU-MRXNPFEDSA-N 1 1 283.456 3.375 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@H](OC(C)C)C1 ZINC001253240977 806191954 /nfs/dbraw/zinc/19/19/54/806191954.db2.gz PZTYCMRPBXLFJE-IRXDYDNUSA-N 1 1 283.456 3.373 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+](C)CCSC ZINC001253242227 806192752 /nfs/dbraw/zinc/19/27/52/806192752.db2.gz JDLJGOKFCSTQHW-AWEZNQCLSA-N 1 1 259.459 3.169 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCOCC12CCC2 ZINC001253241369 806192838 /nfs/dbraw/zinc/19/28/38/806192838.db2.gz VHYINWKMRKKGNH-MRXNPFEDSA-N 1 1 281.440 3.129 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)[C@H](C)CCCC)CC1 ZINC001160006007 806212169 /nfs/dbraw/zinc/21/21/69/806212169.db2.gz XONAQNUCHIRVHG-OAHLLOKOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CC(C)(C)CC(=O)NCCC1=CC[N@@H+](CC2CC2)CC1 ZINC001160242377 806240377 /nfs/dbraw/zinc/24/03/77/806240377.db2.gz OVCPKKCLESWJPO-UHFFFAOYSA-N 1 1 290.451 3.137 20 30 CGEDMO N#Cc1c[nH]c2cc[nH+]c(NCc3cccc4ncoc43)c12 ZINC001160255332 806242325 /nfs/dbraw/zinc/24/23/25/806242325.db2.gz GEPVLKXMSLYHBT-UHFFFAOYSA-N 1 1 289.298 3.188 20 30 CGEDMO C=C[C@H](O)CNc1ccc2c(c1)C[N@H+](Cc1ccccc1)C2 ZINC001253587805 806265683 /nfs/dbraw/zinc/26/56/83/806265683.db2.gz GHCLODSWAVMDFD-IBGZPJMESA-N 1 1 294.398 3.161 20 30 CGEDMO C=CC(C)(C)C(=O)NCCC1=CC[N@@H+](CC[C@H](C)F)CC1 ZINC001160888278 806317476 /nfs/dbraw/zinc/31/74/76/806317476.db2.gz HVPOQUZFKYDAMN-AWEZNQCLSA-N 1 1 296.430 3.085 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1ncnc2c(C)cccc12 ZINC001160953082 806326295 /nfs/dbraw/zinc/32/62/95/806326295.db2.gz PXFNTGLXMYKGGX-AWEZNQCLSA-N 1 1 282.391 3.001 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1cc(Cl)cc(C)n1 ZINC001160953258 806328494 /nfs/dbraw/zinc/32/84/94/806328494.db2.gz ZKKWBLNJSSFOMV-ZDUSSCGKSA-N 1 1 265.788 3.106 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2CC)CC1 ZINC001161271446 806363134 /nfs/dbraw/zinc/36/31/34/806363134.db2.gz JUBWTSNFMFCLGA-IAGOWNOFSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2cccc3cccnc32)C1 ZINC001254559140 806449028 /nfs/dbraw/zinc/44/90/28/806449028.db2.gz YTKJYMVLZQGMTM-MRXNPFEDSA-N 1 1 268.360 3.012 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cc3ccccc3nc2OC)C1 ZINC001254646235 806470343 /nfs/dbraw/zinc/47/03/43/806470343.db2.gz XQIKWGFJBPFJQC-INIZCTEOSA-N 1 1 298.386 3.020 20 30 CGEDMO CC(C)c1noc([C@@H]2CCC[N@H+]([C@H]3CC[C@H](C#N)C3)C2)n1 ZINC001254670719 806481867 /nfs/dbraw/zinc/48/18/67/806481867.db2.gz LNUAAXBZZYDYQT-MJBXVCDLSA-N 1 1 288.395 3.065 20 30 CGEDMO N#C[C@H]1CC[C@@H]([N@H+]2CCSc3ccccc3C2)C1 ZINC001254674411 806483040 /nfs/dbraw/zinc/48/30/40/806483040.db2.gz YTOURUFFIYHUAV-GXTWGEPZSA-N 1 1 258.390 3.287 20 30 CGEDMO CC(C)(C#N)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255121786 806548300 /nfs/dbraw/zinc/54/83/00/806548300.db2.gz GOCHBYPQEFMOQW-BJWYYQGGSA-N 1 1 283.419 3.074 20 30 CGEDMO CCN(CCC#N)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255142401 806553367 /nfs/dbraw/zinc/55/33/67/806553367.db2.gz CPDOKGIQFQEELN-BWTSREIZSA-N 1 1 297.446 3.418 20 30 CGEDMO CC[C@H](CC#N)[NH2+][C@@H]1CCCc2ccc(C(=O)OC)cc21 ZINC001255162193 806561180 /nfs/dbraw/zinc/56/11/80/806561180.db2.gz JRNHHSFJZAOZCS-GDBMZVCRSA-N 1 1 286.375 3.132 20 30 CGEDMO CC[C@H](CC#N)[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001255171736 806564727 /nfs/dbraw/zinc/56/47/27/806564727.db2.gz ACDJOQFPNNWCPU-MRXNPFEDSA-N 1 1 271.408 3.411 20 30 CGEDMO CC[C@H](CC#N)[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001255171736 806564732 /nfs/dbraw/zinc/56/47/32/806564732.db2.gz ACDJOQFPNNWCPU-MRXNPFEDSA-N 1 1 271.408 3.411 20 30 CGEDMO CC[C@H](CC#N)[N@@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001255167989 806564873 /nfs/dbraw/zinc/56/48/73/806564873.db2.gz LQYGEFJJLMGTKS-CYBMUJFWSA-N 1 1 295.427 3.010 20 30 CGEDMO CC[C@H](CC#N)[N@@H+]1CCCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001255166443 806565136 /nfs/dbraw/zinc/56/51/36/806565136.db2.gz KWOFKVBCCOWBOG-ZIAGYGMSSA-N 1 1 295.427 3.058 20 30 CGEDMO CC[C@H](CC#N)[N@H+]1CCCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001255166443 806565140 /nfs/dbraw/zinc/56/51/40/806565140.db2.gz KWOFKVBCCOWBOG-ZIAGYGMSSA-N 1 1 295.427 3.058 20 30 CGEDMO CC[C@@H](CC#N)n1ccc(C[NH2+]Cc2ccccc2)n1 ZINC001255178508 806572290 /nfs/dbraw/zinc/57/22/90/806572290.db2.gz HKSRBHWCCIWPOW-INIZCTEOSA-N 1 1 268.364 3.038 20 30 CGEDMO C#CCCCNc1ccc(C[N@@H+]2CCCC[C@@H]2C)cn1 ZINC001162440075 806585994 /nfs/dbraw/zinc/58/59/94/806585994.db2.gz MJULQOYBYIULMJ-HNNXBMFYSA-N 1 1 271.408 3.281 20 30 CGEDMO C#CC1(Nc2nc(N3CCCCC3)cc[nH+]2)CCCCC1 ZINC001162479733 806595032 /nfs/dbraw/zinc/59/50/32/806595032.db2.gz LQOYGSQBQIWGAC-UHFFFAOYSA-N 1 1 284.407 3.215 20 30 CGEDMO C=CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)CCCC ZINC001255313970 806605757 /nfs/dbraw/zinc/60/57/57/806605757.db2.gz TXGQDLNKKSGGKF-KBPBESRZSA-N 1 1 255.402 3.299 20 30 CGEDMO CCOC(=O)[C@H]1CCC[C@H]([N@@H+](CCC#N)C2CCCC2)C1 ZINC001255368592 806627116 /nfs/dbraw/zinc/62/71/16/806627116.db2.gz UPMQWVKWZDCKKL-HOCLYGCPSA-N 1 1 292.423 3.267 20 30 CGEDMO C[C@H](CC(F)(F)F)[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001255647425 806693173 /nfs/dbraw/zinc/69/31/73/806693173.db2.gz UJRYOQJFZQSWOG-SNVBAGLBSA-N 1 1 268.282 3.257 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCCC[C@@H]2CC)cc1 ZINC000077012320 798925975 /nfs/dbraw/zinc/92/59/75/798925975.db2.gz GIGYURJLMAWUCG-INIZCTEOSA-N 1 1 257.377 3.463 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC000093504950 798966175 /nfs/dbraw/zinc/96/61/75/798966175.db2.gz YBEBCODDXBBJOV-AEFFLSMTSA-N 1 1 287.403 3.252 20 30 CGEDMO CCCCCCCCC(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000121608105 798989219 /nfs/dbraw/zinc/98/92/19/798989219.db2.gz OHYXQERQIQNYKL-OAHLLOKOSA-N 1 1 268.445 3.195 20 30 CGEDMO CC[C@H]([NH2+]CC(C)(C)C#N)c1cccc([N+](=O)[O-])c1 ZINC000122236433 798990161 /nfs/dbraw/zinc/99/01/61/798990161.db2.gz GPFZDALQRHELRT-ZDUSSCGKSA-N 1 1 261.325 3.185 20 30 CGEDMO Cc1ccc(CC#N)c(N[C@H]2CCc3c2cccc3O)[nH+]1 ZINC001163195893 806719274 /nfs/dbraw/zinc/71/92/74/806719274.db2.gz ZQTBUTJNZNHONI-HNNXBMFYSA-N 1 1 279.343 3.261 20 30 CGEDMO C=C(Br)C[NH2+]Cc1nccc2ccccc21 ZINC000309549375 799218678 /nfs/dbraw/zinc/21/86/78/799218678.db2.gz JLZSNHIBHHEIDY-UHFFFAOYSA-N 1 1 277.165 3.233 20 30 CGEDMO C#C[C@](C)(CC)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000384198010 799413147 /nfs/dbraw/zinc/41/31/47/799413147.db2.gz KGFLHSUDXSBXKN-CYBMUJFWSA-N 1 1 266.728 3.140 20 30 CGEDMO C=C(Br)C[N@H+](C)[C@@H]1CC[C@@H](SC)C1 ZINC000388294756 799451720 /nfs/dbraw/zinc/45/17/20/799451720.db2.gz ZINBDWYXSCTFHR-NXEZZACHSA-N 1 1 264.232 3.111 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](Nc2ccc(Cl)c(C#N)n2)[C@@H](C)C1 ZINC001163365422 806749275 /nfs/dbraw/zinc/74/92/75/806749275.db2.gz ZWZGLSSBHGSMIE-AAEUAGOBSA-N 1 1 292.814 3.137 20 30 CGEDMO Cc1nc(C)c([C@@H](C)[NH2+]CC2(C#N)CCCC2)s1 ZINC000405157516 799581829 /nfs/dbraw/zinc/58/18/29/799581829.db2.gz LNPIBQFDLBOCLQ-SNVBAGLBSA-N 1 1 263.410 3.495 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC1(C#N)CCC1 ZINC000450750393 799625461 /nfs/dbraw/zinc/62/54/61/799625461.db2.gz AUYZGCAGEAYKFE-AEFFLSMTSA-N 1 1 297.446 3.180 20 30 CGEDMO C#CCCCCC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000686672993 799735643 /nfs/dbraw/zinc/73/56/43/799735643.db2.gz RFFGVGLXQRIXRR-BRWVUGGUSA-N 1 1 263.425 3.196 20 30 CGEDMO C#CCCCCC[N@@H+](C)Cc1csc(CC)n1 ZINC000686673793 799735723 /nfs/dbraw/zinc/73/57/23/799735723.db2.gz IBPZERTWGYJJSL-UHFFFAOYSA-N 1 1 250.411 3.331 20 30 CGEDMO C#CCCCCC[N@H+](C)Cc1csc(CC)n1 ZINC000686673793 799735727 /nfs/dbraw/zinc/73/57/27/799735727.db2.gz IBPZERTWGYJJSL-UHFFFAOYSA-N 1 1 250.411 3.331 20 30 CGEDMO CCC[N@H+]1CC[C@@H](CNc2ccc(C#N)cc2C)C1 ZINC000692989874 799806559 /nfs/dbraw/zinc/80/65/59/799806559.db2.gz YZTMZTLKKYNPKS-HNNXBMFYSA-N 1 1 257.381 3.011 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000693110114 799807519 /nfs/dbraw/zinc/80/75/19/799807519.db2.gz UWJNYCYGKHNONX-QDMKHBRRSA-N 1 1 276.330 3.281 20 30 CGEDMO CC[N@@H+](CCCOc1ccc(C#N)cc1)C1CCC1 ZINC000706812162 799967684 /nfs/dbraw/zinc/96/76/84/799967684.db2.gz LFGDZQCKDPEFCG-UHFFFAOYSA-N 1 1 258.365 3.202 20 30 CGEDMO CC(C)(C#N)CN[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716641054 800177015 /nfs/dbraw/zinc/17/70/15/800177015.db2.gz XMGWZCLFRPDGES-BZSNNMDCSA-N 1 1 297.446 3.179 20 30 CGEDMO C#CC[C@@H](COC)[NH2+]Cc1cc(Cl)sc1Cl ZINC000716958461 800188148 /nfs/dbraw/zinc/18/81/48/800188148.db2.gz RLKCHMYLBMDUBO-VIFPVBQESA-N 1 1 278.204 3.183 20 30 CGEDMO C=CCC1(O)CC[NH+](Cc2nc(C(C)(C)C)cs2)CC1 ZINC000717472719 800203825 /nfs/dbraw/zinc/20/38/25/800203825.db2.gz OAPWRUQNWFEPAP-UHFFFAOYSA-N 1 1 294.464 3.344 20 30 CGEDMO CC[C@H](CC#N)N1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000717470910 800203925 /nfs/dbraw/zinc/20/39/25/800203925.db2.gz QWWXKMNBGPNWAV-QGZVFWFLSA-N 1 1 285.435 3.275 20 30 CGEDMO C[N@H+](CCC#N)[C@@H]1CCc2cccc(Br)c2C1 ZINC001256132365 806830613 /nfs/dbraw/zinc/83/06/13/806830613.db2.gz OWXLMKAFCHHYNL-GFCCVEGCSA-N 1 1 293.208 3.152 20 30 CGEDMO C[N@@H+](CCC#N)[C@@H]1CCc2cccc(Br)c2C1 ZINC001256132365 806830622 /nfs/dbraw/zinc/83/06/22/806830622.db2.gz OWXLMKAFCHHYNL-GFCCVEGCSA-N 1 1 293.208 3.152 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C)no2)cc1 ZINC000809548723 800444359 /nfs/dbraw/zinc/44/43/59/800444359.db2.gz IHONYDOIQHGBPA-MRXNPFEDSA-N 1 1 266.344 3.301 20 30 CGEDMO C#Cc1ccc(C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)cc1 ZINC000809551729 800444746 /nfs/dbraw/zinc/44/47/46/800444746.db2.gz GQFXKVPODAANRY-IBGZPJMESA-N 1 1 295.382 3.442 20 30 CGEDMO C#Cc1ccc(C[N@@H+](C)C[C@H]2OCCc3ccccc32)cc1 ZINC000809551733 800444783 /nfs/dbraw/zinc/44/47/83/800444783.db2.gz GQUHVLYXYGSBSV-HXUWFJFHSA-N 1 1 291.394 3.414 20 30 CGEDMO N#Cc1cccc(C[NH2+][C@H](c2ccccn2)C2CC2)c1F ZINC000932384701 800662925 /nfs/dbraw/zinc/66/29/25/800662925.db2.gz WMVVISMYRKMSEN-KRWDZBQOSA-N 1 1 281.334 3.333 20 30 CGEDMO Cc1ncsc1CC[N@H+](C)Cc1cc(C#N)cs1 ZINC000933770984 800675958 /nfs/dbraw/zinc/67/59/58/800675958.db2.gz CTLSMERWIOCHGT-UHFFFAOYSA-N 1 1 277.418 3.059 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1nc(-c2ccc(C)c(OC)c2)no1 ZINC000934459912 800678340 /nfs/dbraw/zinc/67/83/40/800678340.db2.gz IFLBEZAWTBZFJI-AWEZNQCLSA-N 1 1 299.374 3.204 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1nc(-c2ccc(C)c(OC)c2)no1 ZINC000934459912 800678344 /nfs/dbraw/zinc/67/83/44/800678344.db2.gz IFLBEZAWTBZFJI-AWEZNQCLSA-N 1 1 299.374 3.204 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)cc(C)c2)[C@@H]1C ZINC000994298179 800696332 /nfs/dbraw/zinc/69/63/32/800696332.db2.gz QNQMDYJILRPPDK-RDJZCZTQSA-N 1 1 286.419 3.072 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)c2cc(C)ccc2C)CC1 ZINC001001403763 800696942 /nfs/dbraw/zinc/69/69/42/800696942.db2.gz HUPAYRSCNGENQV-UHFFFAOYSA-N 1 1 298.430 3.241 20 30 CGEDMO C=Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CCC(=C)C)C2)cc1 ZINC001008625554 800699137 /nfs/dbraw/zinc/69/91/37/800699137.db2.gz ZBWNXZNJVJHKCL-SFHVURJKSA-N 1 1 298.430 3.490 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCC)C1 ZINC001021500359 800702844 /nfs/dbraw/zinc/70/28/44/800702844.db2.gz WLBJYTQLDVDSNF-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(C)(C)F)C1 ZINC001021500228 800702865 /nfs/dbraw/zinc/70/28/65/800702865.db2.gz UQFYVBSYSGAZQM-HUUCEWRRSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001023486788 800711328 /nfs/dbraw/zinc/71/13/28/800711328.db2.gz UMIHUOYWJIZVGQ-ARFHVFGLSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](CNC(=O)c2ccc(C3CC3)cc2)C1 ZINC001023759472 800715234 /nfs/dbraw/zinc/71/52/34/800715234.db2.gz GBINZFAWGOSXAV-OAHLLOKOSA-N 1 1 298.430 3.192 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C)cc2)C1 ZINC001023717720 800715290 /nfs/dbraw/zinc/71/52/90/800715290.db2.gz JLORLYJGEPBWCX-INIZCTEOSA-N 1 1 286.419 3.013 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1C ZINC001024306979 800722994 /nfs/dbraw/zinc/72/29/94/800722994.db2.gz JQFBMIWEKRUBKQ-MRXNPFEDSA-N 1 1 286.419 3.155 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cscc1C ZINC001024377343 800726975 /nfs/dbraw/zinc/72/69/75/800726975.db2.gz QEXBMDFDKMIYHE-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1sc(C)cc1C ZINC001024458803 800728330 /nfs/dbraw/zinc/72/83/30/800728330.db2.gz KCCBWFSGPLCZDC-AWEZNQCLSA-N 1 1 292.448 3.135 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccoc1CC ZINC001024415180 800728846 /nfs/dbraw/zinc/72/88/46/800728846.db2.gz PNPYCNHPOFUQQK-CQSZACIVSA-N 1 1 290.407 3.002 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC ZINC001025184516 800745566 /nfs/dbraw/zinc/74/55/66/800745566.db2.gz PPYMCISUFFOBCP-HZPDHXFCSA-N 1 1 278.440 3.208 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)C ZINC001025205025 800750610 /nfs/dbraw/zinc/75/06/10/800750610.db2.gz RYXBGWYFELWCMB-GJZGRUSLSA-N 1 1 298.858 3.240 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)CC ZINC001025258862 800752232 /nfs/dbraw/zinc/75/22/32/800752232.db2.gz KCNGLIWMBZTTAM-JKSUJKDBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C2CCCCC2)C1 ZINC001027277641 800788531 /nfs/dbraw/zinc/78/85/31/800788531.db2.gz IQIIRGWIWVBBEY-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@]2(C)CC=CCC2)C1 ZINC001027423964 800795213 /nfs/dbraw/zinc/79/52/13/800795213.db2.gz NJPWVFHIEQAKBY-AEFFLSMTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2csc(C)c2C)C1 ZINC001027426143 800796710 /nfs/dbraw/zinc/79/67/10/800796710.db2.gz QQQKZHOYDVQUKP-AWEZNQCLSA-N 1 1 292.448 3.087 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(CC)s2)C1 ZINC001027481834 800798218 /nfs/dbraw/zinc/79/82/18/800798218.db2.gz QQCVVRCJYJMRRG-ZDUSSCGKSA-N 1 1 292.448 3.033 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)C(C)(C)C)C1 ZINC001027464639 800798225 /nfs/dbraw/zinc/79/82/25/800798225.db2.gz HUFFTMRYLWCDLP-LSDHHAIUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C2CCC=CCC2)C1 ZINC001027683633 800810720 /nfs/dbraw/zinc/81/07/20/800810720.db2.gz MOEKELKCIFBOFG-KRWDZBQOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C)s1 ZINC001027726137 800817262 /nfs/dbraw/zinc/81/72/62/800817262.db2.gz OMCFYJJXLMLWGT-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CC[C@H](C)F)CC1 ZINC001028116077 800831722 /nfs/dbraw/zinc/83/17/22/800831722.db2.gz BVGSBVDJBDNQNC-HOCLYGCPSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CCC(C)C)CC1 ZINC001028117753 800831732 /nfs/dbraw/zinc/83/17/32/800831732.db2.gz SZLXUJIICCIAKE-QGZVFWFLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccsc1Cl ZINC001028184958 800836547 /nfs/dbraw/zinc/83/65/47/800836547.db2.gz QOSIGDSKDVISCI-NSHDSACASA-N 1 1 298.839 3.172 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(C(C)C)c1 ZINC001028244467 800838690 /nfs/dbraw/zinc/83/86/90/800838690.db2.gz DKGNKVUMFABBLM-QGZVFWFLSA-N 1 1 286.419 3.190 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cl)s1 ZINC001028301082 800840998 /nfs/dbraw/zinc/84/09/98/800840998.db2.gz OKNHHFXSIRJCIP-LLVKDONJSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCCC1(C)C ZINC001028340729 800844513 /nfs/dbraw/zinc/84/45/13/800844513.db2.gz WNWZFZRYFFEEML-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001028563196 800849425 /nfs/dbraw/zinc/84/94/25/800849425.db2.gz YWQYNRFXFNYAJZ-SJORKVTESA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001028745512 800851644 /nfs/dbraw/zinc/85/16/44/800851644.db2.gz COFKDZWQLCGSTP-CVEARBPZSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)c2csc(C)c2)C1 ZINC001028868994 800854622 /nfs/dbraw/zinc/85/46/22/800854622.db2.gz MWGDEIKFGARUJN-CQSZACIVSA-N 1 1 292.448 3.074 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001029009224 800858064 /nfs/dbraw/zinc/85/80/64/800858064.db2.gz QEHWXUFSHNPHJK-CVEARBPZSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCCC2)C1 ZINC001029801305 800875745 /nfs/dbraw/zinc/87/57/45/800875745.db2.gz KWHSIKAFEMMHFV-INIZCTEOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C1CCC(C(=O)NC2C[NH+]([C@H](C)c3ccccc3)C2)CC1 ZINC001030903432 800900668 /nfs/dbraw/zinc/90/06/68/800900668.db2.gz GLNCIVZIAAPLHG-OAHLLOKOSA-N 1 1 298.430 3.294 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C1CCCC1 ZINC001032450495 800930355 /nfs/dbraw/zinc/93/03/55/800930355.db2.gz QNEGWSRWKMHSQQ-HOTGVXAUSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C1CCCC1 ZINC001032450495 800930358 /nfs/dbraw/zinc/93/03/58/800930358.db2.gz QNEGWSRWKMHSQQ-HOTGVXAUSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CCCCCC1 ZINC001032651801 800932403 /nfs/dbraw/zinc/93/24/03/800932403.db2.gz GQPQNKGVQALPJA-IRXDYDNUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCCCC1(C)C ZINC001032820957 800935982 /nfs/dbraw/zinc/93/59/82/800935982.db2.gz GURAZDOMGIQHKG-PMPSAXMXSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CCCCC1(C)C ZINC001032820957 800935987 /nfs/dbraw/zinc/93/59/87/800935987.db2.gz GURAZDOMGIQHKG-PMPSAXMXSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2csc(C)c2C)C1 ZINC001033109109 800953596 /nfs/dbraw/zinc/95/35/96/800953596.db2.gz WXTULSSPEMSTRL-AWEZNQCLSA-N 1 1 292.448 3.087 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2C=CCCC2)C1 ZINC001033181259 800955339 /nfs/dbraw/zinc/95/53/39/800955339.db2.gz HAUHRZQBZBOQBS-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2C=CCCC2)C1 ZINC001033181261 800955660 /nfs/dbraw/zinc/95/56/60/800955660.db2.gz HAUHRZQBZBOQBS-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC=CCCC2)C1 ZINC001033185717 800955732 /nfs/dbraw/zinc/95/57/32/800955732.db2.gz UJTAKWZIUVQSDR-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)C2CCC3(CC3)CC2)C1 ZINC001033269495 800957559 /nfs/dbraw/zinc/95/75/59/800957559.db2.gz ISYBIKWUJXGFAW-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2sccc2C(C)C)C1 ZINC001033679287 800972813 /nfs/dbraw/zinc/97/28/13/800972813.db2.gz VWFLYGLQBVHGLQ-ZDUSSCGKSA-N 1 1 292.448 3.204 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCC23CC3)C1 ZINC001033872455 800986770 /nfs/dbraw/zinc/98/67/70/800986770.db2.gz KKQBZKJPABHDGM-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCC23CC3)C1 ZINC001033873508 800988071 /nfs/dbraw/zinc/98/80/71/800988071.db2.gz PKZXWAGGJKKYOA-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001033948708 800991350 /nfs/dbraw/zinc/99/13/50/800991350.db2.gz BSIWSNNZQLVPJK-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+]1CC[C@H](N(CC)C(=O)c2cc(Cl)cs2)C1 ZINC001033979959 800993044 /nfs/dbraw/zinc/99/30/44/800993044.db2.gz JMLZATKQJKNARC-LBPRGKRZSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(Cl)cs2)C1 ZINC001033979959 800993048 /nfs/dbraw/zinc/99/30/48/800993048.db2.gz JMLZATKQJKNARC-LBPRGKRZSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@@H](NC(=O)C2CCCCC2)C1 ZINC001034085244 801003131 /nfs/dbraw/zinc/00/31/31/801003131.db2.gz GKTNZXUHAKJUGG-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)CC2CCCC2)C1 ZINC001034094172 801004228 /nfs/dbraw/zinc/00/42/28/801004228.db2.gz ZDBUKIRWUVQNOF-OAHLLOKOSA-N 1 1 298.858 3.290 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)CC2CCCC2)C1 ZINC001034094172 801004235 /nfs/dbraw/zinc/00/42/35/801004235.db2.gz ZDBUKIRWUVQNOF-OAHLLOKOSA-N 1 1 298.858 3.290 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC=CCC2)C1 ZINC001034103273 801005354 /nfs/dbraw/zinc/00/53/54/801005354.db2.gz ZDZVFEKNUDAHSS-HUUCEWRRSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC=CCC2)C1 ZINC001034103273 801005360 /nfs/dbraw/zinc/00/53/60/801005360.db2.gz ZDZVFEKNUDAHSS-HUUCEWRRSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)C=C2CCCCC2)C1 ZINC001034126664 801006819 /nfs/dbraw/zinc/00/68/19/801006819.db2.gz DIOPRDOAKNOFEU-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)C(C)=C2CCC2)C1 ZINC001034203991 801011826 /nfs/dbraw/zinc/01/18/26/801011826.db2.gz LEMJSCOKECGQAM-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H](C)C2CCC2)C1 ZINC001034263708 801014269 /nfs/dbraw/zinc/01/42/69/801014269.db2.gz BCASFCMMWMWLQJ-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CCCC[C@H](NC(=O)C2CCC3(CC3)CC2)C1 ZINC001034317136 801016418 /nfs/dbraw/zinc/01/64/18/801016418.db2.gz ZJBFJUNKLGZQMS-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@H](NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001034353293 801019562 /nfs/dbraw/zinc/01/95/62/801019562.db2.gz WGNDIULLTRKOLV-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001034384805 801023664 /nfs/dbraw/zinc/02/36/64/801023664.db2.gz IJYJBKYZSHIHDW-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001034407805 801024953 /nfs/dbraw/zinc/02/49/53/801024953.db2.gz DRFADBADLGYKPH-IXDOHACOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC001034506081 801030423 /nfs/dbraw/zinc/03/04/23/801030423.db2.gz MNKWVQSJSRBSIE-QGZVFWFLSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CN(C(=O)CC3CCCCC3)CC[C@@H]21 ZINC001036636969 801084610 /nfs/dbraw/zinc/08/46/10/801084610.db2.gz HOTVDEXKUYZKCC-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2CN(C(=O)CC3CCCCC3)CC[C@@H]21 ZINC001036636970 801085345 /nfs/dbraw/zinc/08/53/45/801085345.db2.gz HOTVDEXKUYZKCC-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C(CC)CC)CC[C@H]21 ZINC001036651959 801086370 /nfs/dbraw/zinc/08/63/70/801086370.db2.gz LSLQVNZWHADLQU-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)C(F)=C(C)C)CC[C@H]21 ZINC001036684438 801088314 /nfs/dbraw/zinc/08/83/14/801088314.db2.gz HQVUNWUGAYNOOB-LSDHHAIUSA-N 1 1 294.414 3.139 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)C(C)(C)C)CC[C@@H]21 ZINC001036790608 801090555 /nfs/dbraw/zinc/09/05/55/801090555.db2.gz LPCBDDWIJFGDLU-GJZGRUSLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2CN(C(=O)c3cc(C)cc(C)c3)CC[C@H]21 ZINC001036878728 801092603 /nfs/dbraw/zinc/09/26/03/801092603.db2.gz AZSLKQOUHSYTSR-FUHWJXTLSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001038268972 801122198 /nfs/dbraw/zinc/12/21/98/801122198.db2.gz KZZLAMXEMRKBPZ-ARFHVFGLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)cc(Cl)c1 ZINC001038522246 801127220 /nfs/dbraw/zinc/12/72/20/801127220.db2.gz CGDZQQXNRXAFPQ-OAHLLOKOSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1ccccc1C1(C)CC1 ZINC001038694575 801132575 /nfs/dbraw/zinc/13/25/75/801132575.db2.gz UQJBERJGANXCNA-HNNXBMFYSA-N 1 1 298.430 3.118 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C(C)C)oc1C ZINC001038868261 801134472 /nfs/dbraw/zinc/13/44/72/801134472.db2.gz KKCVWNBMYUQYIA-AWEZNQCLSA-N 1 1 290.407 3.092 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(Cl)cc1 ZINC001038955297 801137695 /nfs/dbraw/zinc/13/76/95/801137695.db2.gz WUTWHLACPSYXAY-HNNXBMFYSA-N 1 1 292.810 3.110 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)c1ccoc1C(C)C ZINC001039068347 801145349 /nfs/dbraw/zinc/14/53/49/801145349.db2.gz SYHMQJPTXMIGTO-AWEZNQCLSA-N 1 1 290.407 3.173 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)CC(C)(C)C)CC2)C1 ZINC001039102828 801147648 /nfs/dbraw/zinc/14/76/48/801147648.db2.gz HFTWPOPQXBYYQE-INIZCTEOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CC(C)(C)C)CC2)C1 ZINC001039102831 801147865 /nfs/dbraw/zinc/14/78/65/801147865.db2.gz HFTWPOPQXBYYQE-MRXNPFEDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](C2CCN(C(=O)c3ccccc3)CC2)C1 ZINC001039110144 801149669 /nfs/dbraw/zinc/14/96/69/801149669.db2.gz YBBXLIXOPKMCRK-GOSISDBHSA-N 1 1 298.430 3.047 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC([C@@H]2CC[N@H+](CCC)C2)CC1 ZINC001039150814 801150826 /nfs/dbraw/zinc/15/08/26/801150826.db2.gz OKQRZEYSZGMDHU-MRXNPFEDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C2CCC2)C1 ZINC001039177411 801150853 /nfs/dbraw/zinc/15/08/53/801150853.db2.gz DJCDXHXYZYNVLV-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C1CCC1 ZINC001039392908 801160103 /nfs/dbraw/zinc/16/01/03/801160103.db2.gz KANQUDLBPGKYGW-OIISXLGYSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(CC)CC ZINC001039471832 801163480 /nfs/dbraw/zinc/16/34/80/801163480.db2.gz OKCGOPFJOZDDMZ-CVEARBPZSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)C3CCCCC3)C2)C1 ZINC001041031356 801185028 /nfs/dbraw/zinc/18/50/28/801185028.db2.gz SIMBGKJEBYQZEC-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)c3cc(C)cc(C)c3)C2)C1 ZINC001041803648 801193889 /nfs/dbraw/zinc/19/38/89/801193889.db2.gz IAFDEJPRIKMRCS-IBGZPJMESA-N 1 1 298.430 3.027 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CCN(C(=O)CC3CCCC3)C[C@@H]21 ZINC001041915401 801197562 /nfs/dbraw/zinc/19/75/62/801197562.db2.gz HCHJRUSWACACRI-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)C(C)C)C[C@H]21 ZINC001042073232 801200187 /nfs/dbraw/zinc/20/01/87/801200187.db2.gz POZZLHSZUGYCBN-HZPDHXFCSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C)cc3)C[C@H]21 ZINC001042330845 801205333 /nfs/dbraw/zinc/20/53/33/801205333.db2.gz HLPLVYWUEVLMNQ-SJLPKXTDSA-N 1 1 298.430 3.108 20 30 CGEDMO C=CCC[NH+]1CC(N(C)C(=O)c2ccccc2C2(C)CC2)C1 ZINC001043836425 801226400 /nfs/dbraw/zinc/22/64/00/801226400.db2.gz CCBHSTCCRSBJTD-UHFFFAOYSA-N 1 1 298.430 3.070 20 30 CGEDMO C=CCC[NH+]1CC(N(C)C(=O)c2ccc(C(C)C)s2)C1 ZINC001044347449 801236794 /nfs/dbraw/zinc/23/67/94/801236794.db2.gz OUKYCQOPPJGNJF-UHFFFAOYSA-N 1 1 292.448 3.204 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@H]2C[C@@H]2C(C)C)CC1 ZINC001045604278 801281734 /nfs/dbraw/zinc/28/17/34/801281734.db2.gz QOOJJWLDOKTTFY-KGLIPLIRSA-N 1 1 298.858 3.002 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001045827382 801287901 /nfs/dbraw/zinc/28/79/01/801287901.db2.gz MOXANQLNBHUYPM-CVEARBPZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2ccc3occc3c2)C1 ZINC001046337726 801310373 /nfs/dbraw/zinc/31/03/73/801310373.db2.gz LCFMUJYTKKTBIU-SFHVURJKSA-N 1 1 298.386 3.203 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(CC)s2)C1 ZINC001046454004 801312441 /nfs/dbraw/zinc/31/24/41/801312441.db2.gz CVQOKWIARZEMNA-INIZCTEOSA-N 1 1 292.448 3.081 20 30 CGEDMO C=C1CCC(C(=O)N[C@]2(C)CC[N@H+](C[C@@H](F)CC)C2)CC1 ZINC001046594934 801315852 /nfs/dbraw/zinc/31/58/52/801315852.db2.gz SHDMSBFWMXMGBZ-DOTOQJQBSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@@H+](C[C@H](C)CC)C[C@@H]2C1 ZINC001048976943 801354185 /nfs/dbraw/zinc/35/41/85/801354185.db2.gz VLLBMFVLBAJDTI-OAGGEKHMSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(CC)CC ZINC001049342744 801366465 /nfs/dbraw/zinc/36/64/65/801366465.db2.gz GGGBFEUEQZILTJ-CVEARBPZSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)C1CC1 ZINC001049403689 801368467 /nfs/dbraw/zinc/36/84/67/801368467.db2.gz JZAFYYBBECTFTI-DJIMGWMZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCC1CCC1 ZINC001049403211 801368536 /nfs/dbraw/zinc/36/85/36/801368536.db2.gz YCYFBAZVHCSRQV-IAGOWNOFSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)C(C)C ZINC001049504316 801375024 /nfs/dbraw/zinc/37/50/24/801375024.db2.gz JTYOMYSBFXSECL-CVEARBPZSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1(CC)CCC1 ZINC001049645090 801378925 /nfs/dbraw/zinc/37/89/25/801378925.db2.gz LUHKBQDDQANOMU-HZPDHXFCSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1CCC ZINC001049702076 801385713 /nfs/dbraw/zinc/38/57/13/801385713.db2.gz JBSWCHRBTGXERS-VQHPVUNQSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CCCC)C1 ZINC001049702283 801386262 /nfs/dbraw/zinc/38/62/62/801386262.db2.gz JSYNUADTTZXODH-HOTGVXAUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CCCC)C1 ZINC001049702284 801386326 /nfs/dbraw/zinc/38/63/26/801386326.db2.gz JSYNUADTTZXODH-HZPDHXFCSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[C@H]3C[N@H+](CCC)C[C@H]32)CC1 ZINC001050132279 801398518 /nfs/dbraw/zinc/39/85/18/801398518.db2.gz LNIIIFSAZVVUNA-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C2CCCCC2)CC1 ZINC001052165044 801421896 /nfs/dbraw/zinc/42/18/96/801421896.db2.gz GGLUEPYMHYWCJT-HNNXBMFYSA-N 1 1 298.858 3.290 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CC=CCC2)CC1 ZINC001052196272 801426163 /nfs/dbraw/zinc/42/61/63/801426163.db2.gz WOBNHSWUDVDOSS-GJZGRUSLSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C2=CCCC2)CC1 ZINC001052304128 801429888 /nfs/dbraw/zinc/42/98/88/801429888.db2.gz HDDSTSQNWFBKRR-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC3(CC3)C2)CC1 ZINC001052379559 801433059 /nfs/dbraw/zinc/43/30/59/801433059.db2.gz OXRNAZBNWJZXRH-HZPDHXFCSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C2CC(C)(C)C2)CC1 ZINC001052356900 801433466 /nfs/dbraw/zinc/43/34/66/801433466.db2.gz KSSKCHJRACZEDQ-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2sc(C)cc2C)CC1 ZINC001052418925 801434915 /nfs/dbraw/zinc/43/49/15/801434915.db2.gz YFIWXHBNLVJQOM-AWEZNQCLSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cscc2Cl)CC1 ZINC001052466715 801435190 /nfs/dbraw/zinc/43/51/90/801435190.db2.gz AXGLXWDFPRMKOG-LLVKDONJSA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)C[C@H]2C=CCCC2)CC1 ZINC001052486148 801436702 /nfs/dbraw/zinc/43/67/02/801436702.db2.gz JDRYSASAQAAHAC-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)C2(C3CC3)CCC2)CC1 ZINC001052596673 801439592 /nfs/dbraw/zinc/43/95/92/801439592.db2.gz LDXOEFXMRGXYRZ-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C2(C)CC(=C)C2)CC1 ZINC001052692527 801447579 /nfs/dbraw/zinc/44/75/79/801447579.db2.gz FURYNBUNUOOQHY-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2csc(Cl)c2)CC1 ZINC001052767462 801452150 /nfs/dbraw/zinc/45/21/50/801452150.db2.gz VITLBEXKZGTOPI-LBPRGKRZSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C=C(C)C)C2)C1 ZINC001052997769 801460749 /nfs/dbraw/zinc/46/07/49/801460749.db2.gz SWYHVNVLUZQWJP-IRXDYDNUSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1CCCC1)C2 ZINC001054069961 801469029 /nfs/dbraw/zinc/46/90/29/801469029.db2.gz XJVPUANSDIJMRE-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1ccccc1)C2 ZINC001054075369 801470690 /nfs/dbraw/zinc/47/06/90/801470690.db2.gz HTVUQLSRQZPHES-IBGZPJMESA-N 1 1 298.430 3.191 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CCC1CC1)C2 ZINC001054104120 801473426 /nfs/dbraw/zinc/47/34/26/801473426.db2.gz TUXNEKQOUNTSJD-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(Cl)o2)CC[C@@H]1C ZINC001071351892 801532678 /nfs/dbraw/zinc/53/26/78/801532678.db2.gz JRCNUVDXDCDXHO-RYUDHWBXSA-N 1 1 296.798 3.092 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)CC2=CCCCC2)CC[C@@H]1C ZINC001071391614 801532777 /nfs/dbraw/zinc/53/27/77/801532777.db2.gz KIJNLODZMVBZTP-RDJZCZTQSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C23CCC(CC2)C3)CC[C@@H]1C ZINC001071612838 801543937 /nfs/dbraw/zinc/54/39/37/801543937.db2.gz NZZYVFGQUXQBSH-VUGNNNGISA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)CC2CC(C)(C)C2)CC[C@H]1C ZINC001071763234 801550498 /nfs/dbraw/zinc/55/04/98/801550498.db2.gz UGULXHBPTZPSPI-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CC2CC(C)(C)C2)CC[C@@H]1C ZINC001071761893 801550627 /nfs/dbraw/zinc/55/06/27/801550627.db2.gz FEMXVTWVIADLON-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2occc2Cl)CC[C@H]1C ZINC001071796555 801551863 /nfs/dbraw/zinc/55/18/63/801551863.db2.gz UAWKYERIDFEPSK-NEPJUHHUSA-N 1 1 296.798 3.092 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2c(C)cccc2C)CC[C@@H]1C ZINC001071844438 801553522 /nfs/dbraw/zinc/55/35/22/801553522.db2.gz MGOJGPOBWHNNOF-JKSUJKDBSA-N 1 1 286.419 3.072 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)CC[C@@H]1C ZINC001072006388 801558378 /nfs/dbraw/zinc/55/83/78/801558378.db2.gz SNSMZHCLGHWBLU-QAETUUGQSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2ccc(CC)cc2)CC[C@H]1C ZINC001072041231 801559882 /nfs/dbraw/zinc/55/98/82/801559882.db2.gz VNKRTGWZEHNSRJ-PBHICJAKSA-N 1 1 286.419 3.018 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cccc(Cl)c2)CC[C@H]1C ZINC001072015447 801560942 /nfs/dbraw/zinc/56/09/42/801560942.db2.gz CZENMDKFKRSZIG-DOMZBBRYSA-N 1 1 292.810 3.109 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)cc2C)CC[C@@H]1C ZINC001072041424 801561676 /nfs/dbraw/zinc/56/16/76/801561676.db2.gz YCPCXSISSQFYRN-HOTGVXAUSA-N 1 1 286.419 3.072 20 30 CGEDMO C=C(C)CC[N@H+]1CCC2(CN(C(=O)C3CCCCC3)C2)C1 ZINC001072413770 801570502 /nfs/dbraw/zinc/57/05/02/801570502.db2.gz ZXEOWCAHUKDFEW-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cscc2Cl)C1 ZINC001079916055 801647068 /nfs/dbraw/zinc/64/70/68/801647068.db2.gz XSKKBLNGRMVSDK-ZWNOBZJWSA-N 1 1 298.839 3.028 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)CC)C[C@H]2C)CC1 ZINC001080384501 801652519 /nfs/dbraw/zinc/65/25/19/801652519.db2.gz ATIOYBDDLZEKNQ-FRFSOERESA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CCC(C)(C)CC2)C1 ZINC001081015516 801657795 /nfs/dbraw/zinc/65/77/95/801657795.db2.gz OHAUTYAWLFIZGP-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3C)[C@@H]2C1 ZINC001084163712 801666494 /nfs/dbraw/zinc/66/64/94/801666494.db2.gz FBHFXKGCYBSNBQ-SJLPKXTDSA-N 1 1 298.430 3.108 20 30 CGEDMO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](CCC(C)(C)C)C[C@H]21 ZINC001084578202 801668750 /nfs/dbraw/zinc/66/87/50/801668750.db2.gz PBGXXIWHZQHHQE-HUUCEWRRSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C(C)C)s1 ZINC001085992254 801718084 /nfs/dbraw/zinc/71/80/84/801718084.db2.gz GQGSXKFESNKQSJ-CYBMUJFWSA-N 1 1 292.448 3.204 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C(C)C)s1 ZINC001085992254 801718089 /nfs/dbraw/zinc/71/80/89/801718089.db2.gz GQGSXKFESNKQSJ-CYBMUJFWSA-N 1 1 292.448 3.204 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2(C3CCC3)CCC2)[C@H]1CC ZINC001087675766 801761222 /nfs/dbraw/zinc/76/12/22/801761222.db2.gz BKQCNLWLOCWJHV-JKSUJKDBSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC2(C)C)[C@H]1CC ZINC001087693328 801761798 /nfs/dbraw/zinc/76/17/98/801761798.db2.gz GDZYKBSOQXHKHM-HRCADAONSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC2CC(C)(C)C2)[C@H]1CC ZINC001087698737 801764812 /nfs/dbraw/zinc/76/48/12/801764812.db2.gz KHEDUDXBHDKODB-JKSUJKDBSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C23CCC(CC2)CC3)[C@H]1CC ZINC001087836377 801767958 /nfs/dbraw/zinc/76/79/58/801767958.db2.gz QOGVUOCIOHDUIL-BNQMIIOLSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(CC)CC)C[C@@H]2C1 ZINC001088206253 801772843 /nfs/dbraw/zinc/77/28/43/801772843.db2.gz JBXSROGJOANZOP-CVEARBPZSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[N@H+](CC(C)C)CC[C@@H]2C1 ZINC001088093644 801774412 /nfs/dbraw/zinc/77/44/12/801774412.db2.gz GNILLWFOGZXYLN-RYRKJORJSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC3(CC3)C2)[C@H]1C ZINC001088565074 801800577 /nfs/dbraw/zinc/80/05/77/801800577.db2.gz BRVJMTJXZHQKQO-PMPSAXMXSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CCC)[C@H]1C ZINC001088730689 801804139 /nfs/dbraw/zinc/80/41/39/801804139.db2.gz OUSGLFXSQANUHW-PBHICJAKSA-N 1 1 286.419 3.018 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(CCC)s2)[C@H]1C ZINC001088595664 801804879 /nfs/dbraw/zinc/80/48/79/801804879.db2.gz MOFYBBKPTIHIAM-OCCSQVGLSA-N 1 1 292.448 3.079 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)cs2)[C@H]1C ZINC001088898500 801814504 /nfs/dbraw/zinc/81/45/04/801814504.db2.gz IJAFRQDEDIRPRC-PWSUYJOCSA-N 1 1 298.839 3.170 20 30 CGEDMO C=C1CCC(C(=O)N2CCCC[C@H]2C[N@H+](C)CC)CC1 ZINC001089220319 801826627 /nfs/dbraw/zinc/82/66/27/801826627.db2.gz KGNRBRMPRHMGIF-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2(C)CC2)CC(C)(C)C1 ZINC001089395047 801836857 /nfs/dbraw/zinc/83/68/57/801836857.db2.gz SGJGQSJXKNRNEM-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccoc1 ZINC001089606017 801845525 /nfs/dbraw/zinc/84/55/25/801845525.db2.gz UDRAZOWYOCUTQB-OAHLLOKOSA-N 1 1 290.407 3.076 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](CNC(=O)C2=CCCCCC2)[C@H](C)C1 ZINC001092566291 801862004 /nfs/dbraw/zinc/86/20/04/801862004.db2.gz MXEHPGSOTYYVIU-NVXWUHKLSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C1CCC1)C2 ZINC001095603927 801885370 /nfs/dbraw/zinc/88/53/70/801885370.db2.gz XHGTUBQZPCCGHO-ORQFMDKSSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C1CCC1)C2 ZINC001095825429 801886040 /nfs/dbraw/zinc/88/60/40/801886040.db2.gz IORGIKOZTKQIIO-PMPSAXMXSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC(C)(C)C1)C2 ZINC001096631010 801889746 /nfs/dbraw/zinc/88/97/46/801889746.db2.gz OZRWCYXHBHTKDG-WCVJEAGWSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[C@H](CC)CC1)C2 ZINC001098251185 801907144 /nfs/dbraw/zinc/90/71/44/801907144.db2.gz RMHRBVOCLLLADY-HHARLNAUSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CCCCC2)C1 ZINC001098707837 801910949 /nfs/dbraw/zinc/91/09/49/801910949.db2.gz LDYURTONAZAPAP-WMZOPIPTSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C(C)=C2CCCC2)C1 ZINC001098783427 801914393 /nfs/dbraw/zinc/91/43/93/801914393.db2.gz AJWATYPTWTUOMB-WMZOPIPTSA-N 1 1 288.435 3.034 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC(C)(C)C ZINC001098911804 801921083 /nfs/dbraw/zinc/92/10/83/801921083.db2.gz WXASJNNUESMROJ-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(F)=C(C)C ZINC001099011680 801923727 /nfs/dbraw/zinc/92/37/27/801923727.db2.gz AYIHKPPKAPZGGS-ZDUSSCGKSA-N 1 1 282.403 3.043 20 30 CGEDMO C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(F)=C(C)C ZINC001099013346 801926937 /nfs/dbraw/zinc/92/69/37/801926937.db2.gz VZNIQZJJLVORNA-CQSZACIVSA-N 1 1 296.430 3.433 20 30 CGEDMO C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1(C)CC1 ZINC001099084924 801928244 /nfs/dbraw/zinc/92/82/44/801928244.db2.gz HXSQIVMELMSVHI-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](F)C(C)C ZINC001099189471 801932348 /nfs/dbraw/zinc/93/23/48/801932348.db2.gz SACNGSGHMLHKOK-LSDHHAIUSA-N 1 1 298.446 3.163 20 30 CGEDMO C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCF ZINC001099176302 801932362 /nfs/dbraw/zinc/93/23/62/801932362.db2.gz OVQOKHPRAVDJHZ-OAHLLOKOSA-N 1 1 298.446 3.309 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1C[C@H]2C[N@H+](CCCC)C[C@@]2(C)C1 ZINC001101338182 801976414 /nfs/dbraw/zinc/97/64/14/801976414.db2.gz ZXQYRJQYNIEOJE-JZXOWHBKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)CC)[C@H](C)C1 ZINC001101731883 801989837 /nfs/dbraw/zinc/98/98/37/801989837.db2.gz MSULUZNNLAUSPB-GVDBMIGSSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](CNC(=O)C[C@@H](C)CCC)[C@H](C)C1 ZINC001101803083 801992780 /nfs/dbraw/zinc/99/27/80/801992780.db2.gz SWBOMIUSYDHLQX-GVDBMIGSSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C(F)=C(C)C)[C@H](C)C1 ZINC001101876502 801996506 /nfs/dbraw/zinc/99/65/06/801996506.db2.gz SXPUCRORRYGZJM-RBSFLKMASA-N 1 1 296.430 3.289 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1C[N@H+](CCC(=C)C)C[C@H]1C ZINC001102004824 801997853 /nfs/dbraw/zinc/99/78/53/801997853.db2.gz GUEAUTXJNZPOFO-HZPDHXFCSA-N 1 1 292.467 3.239 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](CNC(=O)CCCC2CC2)[C@H](C)C1 ZINC001102259812 802002929 /nfs/dbraw/zinc/00/29/29/802002929.db2.gz VYEBHKWLGBMYDD-NVXWUHKLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H]1C[N@@H+](CCC(=C)C)C[C@H]1C ZINC001102326682 802004703 /nfs/dbraw/zinc/00/47/03/802004703.db2.gz YDKOCBSBCBQRNK-NUJGCVRESA-N 1 1 292.467 3.239 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](CNC(=O)C(CCC)CCC)[C@H](C)C1 ZINC001102288444 802005292 /nfs/dbraw/zinc/00/52/92/802005292.db2.gz DIONBZRDUFORAD-NVXWUHKLSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](CNC(=O)C2(CCC)CC2)[C@H](C)C1 ZINC001102342977 802006243 /nfs/dbraw/zinc/00/62/43/802006243.db2.gz WOMIBNWDNPKUOE-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@@](C)(CC)CCC)[C@H](C)C1 ZINC001102484392 802008683 /nfs/dbraw/zinc/00/86/83/802008683.db2.gz HQWGXMFIAKIGTM-NUJGCVRESA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@](C)(CC)CCC)[C@H](C)C1 ZINC001102484713 802009341 /nfs/dbraw/zinc/00/93/41/802009341.db2.gz ULMOWJTZNBWZAK-INMHGKMJSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)CCC)C1 ZINC001102758724 802019313 /nfs/dbraw/zinc/01/93/13/802019313.db2.gz PGAGQXUGQCJNBR-GVDBMIGSSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@](C)(C=C)CC)C1 ZINC001103401730 802033115 /nfs/dbraw/zinc/03/31/15/802033115.db2.gz LTQXASZJFUKDSU-JFIYKMOQSA-N 1 1 292.467 3.239 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NCC[C@@H]1C[N@@H+](CC(C)C)C[C@H]1C ZINC001103350256 802033746 /nfs/dbraw/zinc/03/37/46/802033746.db2.gz LQRNXJKCDHCPMU-IXDOHACOSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)CCC)CCC[C@@H]12 ZINC001107341189 802086154 /nfs/dbraw/zinc/08/61/54/802086154.db2.gz KBRLJGCWTVCMEL-LZLYRXPVSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC1CCC1)C2 ZINC001109132983 802111073 /nfs/dbraw/zinc/11/10/73/802111073.db2.gz VMRJCTQHDMWHJG-IKGGRYGDSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(CC=C)CC=C)C2 ZINC001109328779 802112864 /nfs/dbraw/zinc/11/28/64/802112864.db2.gz ALACUIGPPLUUBC-IKGGRYGDSA-N 1 1 288.435 3.052 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@](C)(F)CCCC)C2 ZINC001109467272 802115980 /nfs/dbraw/zinc/11/59/80/802115980.db2.gz PSMJKLQUYWSMQE-WBTNSWJXSA-N 1 1 296.430 3.202 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C\Cl ZINC001109634376 802121377 /nfs/dbraw/zinc/12/13/77/802121377.db2.gz KZLXVFZPINWFQY-VOOWNWLJSA-N 1 1 296.842 3.063 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C/C=C\Cl ZINC001109634376 802121381 /nfs/dbraw/zinc/12/13/81/802121381.db2.gz KZLXVFZPINWFQY-VOOWNWLJSA-N 1 1 296.842 3.063 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC(C)(C)C)C2 ZINC001109863382 802124669 /nfs/dbraw/zinc/12/46/69/802124669.db2.gz RXXAPCKZYYKXJD-ILXRZTDVSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@](C)(CC)CCC)C2 ZINC001109890372 802126589 /nfs/dbraw/zinc/12/65/89/802126589.db2.gz TXJWUBKXMFPLGI-AESZEHBQSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](CC)C(C)C)C2 ZINC001110004575 802129049 /nfs/dbraw/zinc/12/90/49/802129049.db2.gz QMEBSVCTSQTVOS-NCOADZHNSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](CC)C(C)(C)C)C2 ZINC001109970182 802130338 /nfs/dbraw/zinc/13/03/38/802130338.db2.gz QXGPOOLDXDDZGL-FZKCQIBNSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCCC)C2 ZINC001110289649 802136735 /nfs/dbraw/zinc/13/67/35/802136735.db2.gz UFHFLXPGIQOLOO-OAGGEKHMSA-N 1 1 278.440 3.254 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@](C)(C=C)CC)C2 ZINC001110984998 802151839 /nfs/dbraw/zinc/15/18/39/802151839.db2.gz PVMCWXGUTUNHOA-XLMAVXFVSA-N 1 1 290.451 3.276 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)CC(C)(C)C)C2 ZINC001111056413 802154128 /nfs/dbraw/zinc/15/41/28/802154128.db2.gz NDBLULWURLJARV-FPCVCCKLSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](CC)C(C)(C)C)C2 ZINC001111271426 802158410 /nfs/dbraw/zinc/15/84/10/802158410.db2.gz QXGPOOLDXDDZGL-JJXSEGSLSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)CCCC)C1 ZINC001111732452 802166580 /nfs/dbraw/zinc/16/65/80/802166580.db2.gz PFWJUVGLTVJWEM-RYRKJORJSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2=CCCC2)C1 ZINC001111695967 802167293 /nfs/dbraw/zinc/16/72/93/802167293.db2.gz DYOCLBXRKIVRQW-WMZOPIPTSA-N 1 1 288.435 3.034 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)C(C)C)C1 ZINC001111889929 802170915 /nfs/dbraw/zinc/17/09/15/802170915.db2.gz JJRLOEMEAXVRJX-BQFCYCMXSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC(CC)CC)C1 ZINC001111918266 802171692 /nfs/dbraw/zinc/17/16/92/802171692.db2.gz JFEHAOIFZSFELU-WMZOPIPTSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](CC)CCCC ZINC001114592938 802242692 /nfs/dbraw/zinc/24/26/92/802242692.db2.gz NNGHZWBDMNERKZ-CBZIJGRNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC001116541233 802375092 /nfs/dbraw/zinc/37/50/92/802375092.db2.gz BONQWXOHJRWMIY-CQSZACIVSA-N 1 1 283.318 3.065 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CC[C@@]2(CCN(C)C2=O)C1 ZINC001273107823 808833040 /nfs/dbraw/zinc/83/30/40/808833040.db2.gz GDWRYKNMJBVPAZ-BBVFFXRHSA-N 1 1 292.467 3.457 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2ccccc2N2CCCC2)C1 ZINC001118943754 802621120 /nfs/dbraw/zinc/62/11/20/802621120.db2.gz RZMUGBISVRLAKZ-INIZCTEOSA-N 1 1 268.404 3.132 20 30 CGEDMO C=CC[C@H]([NH2+][C@@H](C)CCCC(F)(F)F)C(=O)OCC ZINC001181458226 810053485 /nfs/dbraw/zinc/05/34/85/810053485.db2.gz UJKFROGHOOMVSJ-QWRGUYRKSA-N 1 1 281.318 3.205 20 30 CGEDMO C=CC[C@H]([NH2+][C@@H](C)[C@@H]1CC2CCC1CC2)C(=O)OCC ZINC001181454284 810053923 /nfs/dbraw/zinc/05/39/23/810053923.db2.gz DDAYFRISEUUMKG-WVTZPBJPSA-N 1 1 279.424 3.299 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCCCC)C1 ZINC001120318209 802739535 /nfs/dbraw/zinc/73/95/35/802739535.db2.gz FBJOUKGNOHIVBY-DLBZAZTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCCF)C1 ZINC001120413532 802744609 /nfs/dbraw/zinc/74/46/09/802744609.db2.gz MIMMYEQLQHUBFO-HZPDHXFCSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCCF)C1 ZINC001120413533 802744814 /nfs/dbraw/zinc/74/48/14/802744814.db2.gz MIMMYEQLQHUBFO-JKSUJKDBSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001120649127 802756939 /nfs/dbraw/zinc/75/69/39/802756939.db2.gz YBGDFCRNCHODBA-INIZCTEOSA-N 1 1 278.440 3.256 20 30 CGEDMO N#Cc1cc(Cl)nc(NC[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC001120868554 802789105 /nfs/dbraw/zinc/78/91/05/802789105.db2.gz ZNQPEFYXZUEOJH-CYBMUJFWSA-N 1 1 290.798 3.035 20 30 CGEDMO N#C[C@@H]1CC=C(c2ccccc2C[NH+]2CCOCC2)CC1 ZINC001243797080 803016104 /nfs/dbraw/zinc/01/61/04/803016104.db2.gz JBXANIBDCRJBBX-OAHLLOKOSA-N 1 1 282.387 3.226 20 30 CGEDMO N#C[C@H]1CC[N@@H+](CCCCCOCc2ccccc2)C1 ZINC001208812461 813855243 /nfs/dbraw/zinc/85/52/43/813855243.db2.gz KHFYXXMGWDRRDS-QGZVFWFLSA-N 1 1 272.392 3.219 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)CCCC)CC[C@@H]1C ZINC001131813909 803348145 /nfs/dbraw/zinc/34/81/45/803348145.db2.gz RVJLMNVRZHTBHI-GJZGRUSLSA-N 1 1 266.429 3.112 20 30 CGEDMO C=CCCC[N@H+]1C[C@H](NC(=O)C(CC)CC)CC[C@@H]1C ZINC001131839814 803349488 /nfs/dbraw/zinc/34/94/88/803349488.db2.gz VNBDEKVWHLXXCS-GOEBONIOSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)CCCC)CC[C@@H]1C ZINC001131856322 803352108 /nfs/dbraw/zinc/35/21/08/803352108.db2.gz KYVPAXZHPOQBKG-LSDHHAIUSA-N 1 1 266.429 3.112 20 30 CGEDMO C#CCCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](CCC(=C)C)C1 ZINC001131971280 803362988 /nfs/dbraw/zinc/36/29/88/803362988.db2.gz FKJQQGYFVSYHPW-IRXDYDNUSA-N 1 1 290.451 3.115 20 30 CGEDMO C#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCCCCC)C1 ZINC001131996568 803366012 /nfs/dbraw/zinc/36/60/12/803366012.db2.gz VRJOZNSWUAZIQY-SJORKVTESA-N 1 1 292.467 3.339 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](C/C=C/Cl)C1 ZINC001132061720 803370745 /nfs/dbraw/zinc/37/07/45/803370745.db2.gz XYRWJKVBHASHQF-VAIDBEGPSA-N 1 1 298.858 3.310 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](C/C=C/Cl)C1 ZINC001132061720 803370752 /nfs/dbraw/zinc/37/07/52/803370752.db2.gz XYRWJKVBHASHQF-VAIDBEGPSA-N 1 1 298.858 3.310 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCC(C)C)C1 ZINC001132073588 803372001 /nfs/dbraw/zinc/37/20/01/803372001.db2.gz WVECSMWJRARRFL-JKSUJKDBSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](C/C=C/Cl)C1 ZINC001132222272 803380391 /nfs/dbraw/zinc/38/03/91/803380391.db2.gz VVWXTVLMUCPVAO-YESVKVCSSA-N 1 1 298.858 3.310 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](C/C=C/Cl)C1 ZINC001132222272 803380398 /nfs/dbraw/zinc/38/03/98/803380398.db2.gz VVWXTVLMUCPVAO-YESVKVCSSA-N 1 1 298.858 3.310 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CC=C(C)C)C1 ZINC001132227276 803380790 /nfs/dbraw/zinc/38/07/90/803380790.db2.gz BFVCFUXMNSTJOQ-LSDHHAIUSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCCC1(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CCCF)C2)CC1 ZINC001132290584 803392778 /nfs/dbraw/zinc/39/27/78/803392778.db2.gz FJXQULJFWNVJQB-LSDHHAIUSA-N 1 1 296.430 3.062 20 30 CGEDMO C#CCC[N@H+]1C[C@@H](NC(=O)CCCCC(C)C)CC[C@@H]1C ZINC001132368472 803397849 /nfs/dbraw/zinc/39/78/49/803397849.db2.gz NOWLXLQBTQNEGC-IRXDYDNUSA-N 1 1 292.467 3.195 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC001135623224 803607506 /nfs/dbraw/zinc/60/75/06/803607506.db2.gz CWYMNPUEZKXTQJ-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO CCCCN(CCC#N)Cc1ccc2nc[nH]c2c1 ZINC001137045600 803675259 /nfs/dbraw/zinc/67/52/59/803675259.db2.gz OWLDPCBTFVRXAR-UHFFFAOYSA-N 1 1 256.353 3.079 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1ccc2[nH]cnc2c1 ZINC001137045600 803675265 /nfs/dbraw/zinc/67/52/65/803675265.db2.gz OWLDPCBTFVRXAR-UHFFFAOYSA-N 1 1 256.353 3.079 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1ccc2[nH]cnc2c1 ZINC001137045600 803675270 /nfs/dbraw/zinc/67/52/70/803675270.db2.gz OWLDPCBTFVRXAR-UHFFFAOYSA-N 1 1 256.353 3.079 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1ccc2nc[nH]c2c1 ZINC001137045600 803675272 /nfs/dbraw/zinc/67/52/72/803675272.db2.gz OWLDPCBTFVRXAR-UHFFFAOYSA-N 1 1 256.353 3.079 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1ccc2nc[nH]c2c1 ZINC001137045600 803675275 /nfs/dbraw/zinc/67/52/75/803675275.db2.gz OWLDPCBTFVRXAR-UHFFFAOYSA-N 1 1 256.353 3.079 20 30 CGEDMO COc1ccc(C[N@H+]2CCCCC[C@@H]2C)c(C#N)c1 ZINC001137703928 803760264 /nfs/dbraw/zinc/76/02/64/803760264.db2.gz ZDOOXYFLNRHUPL-ZDUSSCGKSA-N 1 1 258.365 3.331 20 30 CGEDMO Cc1ccc(-c2ccc(C#N)cc2)c(C[NH+]2CCOCC2)c1 ZINC001245497873 803768889 /nfs/dbraw/zinc/76/88/89/803768889.db2.gz VMRBFNSWOIGHBZ-UHFFFAOYSA-N 1 1 292.382 3.366 20 30 CGEDMO COCC[N@@H+](C)Cc1ccnc(-c2cc(C)ccc2C#N)c1 ZINC001245601639 803845718 /nfs/dbraw/zinc/84/57/18/803845718.db2.gz VNBQQDGHVQZLCR-UHFFFAOYSA-N 1 1 295.386 3.007 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2C)cc1OC ZINC001138345414 803899181 /nfs/dbraw/zinc/89/91/81/803899181.db2.gz FUIOEIPRRSJXCJ-HUUCEWRRSA-N 1 1 287.403 3.328 20 30 CGEDMO CN1CCCc2cc(C[N@H+]3CCC[C@@H](C#N)CC3)ccc21 ZINC001138356323 803901206 /nfs/dbraw/zinc/90/12/06/803901206.db2.gz KVEAXTZBLLUDOE-OAHLLOKOSA-N 1 1 283.419 3.195 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc3cc(C)ccc3[nH]2)C1 ZINC001138420152 803927912 /nfs/dbraw/zinc/92/79/12/803927912.db2.gz PMXCDPOEBZTJGW-AWEZNQCLSA-N 1 1 252.361 3.322 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)cc1 ZINC001138556318 803966086 /nfs/dbraw/zinc/96/60/86/803966086.db2.gz OYEPFYZTVIDWIS-IRXDYDNUSA-N 1 1 269.388 3.321 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@H](C)CC2)cc1 ZINC001138556282 803967345 /nfs/dbraw/zinc/96/73/45/803967345.db2.gz NLWJDKODBUGZDC-HNNXBMFYSA-N 1 1 257.377 3.321 20 30 CGEDMO C[N@H+](Cc1cnc2[nH]ccc2c1)Cc1cccc(C#N)c1 ZINC001138740487 804027374 /nfs/dbraw/zinc/02/73/74/804027374.db2.gz YUMIDGVJIOPMQL-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[NH2+][C@H]1CCC[C@H]1N ZINC001245996476 804094621 /nfs/dbraw/zinc/09/46/21/804094621.db2.gz VQFMRDWWMMLTPP-BBWFWOEESA-N 1 1 284.488 3.348 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[NH2+]C(C)(C)CN ZINC001245999224 804095627 /nfs/dbraw/zinc/09/56/27/804095627.db2.gz ZPXRZRKZPMBZAE-HNNXBMFYSA-N 1 1 272.477 3.205 20 30 CGEDMO CCCCCCCC[C@@H](O)C[NH2+][C@H]1CNCCC1(C)C ZINC001246004334 804098882 /nfs/dbraw/zinc/09/88/82/804098882.db2.gz OSVQMVULCHDDNG-CVEARBPZSA-N 1 1 284.488 3.076 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[NH2+]C1(CN)CCC1 ZINC001246012277 804099187 /nfs/dbraw/zinc/09/91/87/804099187.db2.gz XSSLIJDHIDYHSU-INIZCTEOSA-N 1 1 284.488 3.349 20 30 CGEDMO CCCCCCCC[C@H](O)CN1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001246058860 804104012 /nfs/dbraw/zinc/10/40/12/804104012.db2.gz GVZZQRWVBVFBBV-SQNIBIBYSA-N 1 1 296.499 3.172 20 30 CGEDMO CCCCCCCCCC[N@H+](C)C[C@@]1(O)CCCNC1 ZINC001246061199 804104489 /nfs/dbraw/zinc/10/44/89/804104489.db2.gz IQEWOGDIGSJXDQ-QGZVFWFLSA-N 1 1 284.488 3.173 20 30 CGEDMO CCCCCCCCCC[N@@H+](C)C[C@@]1(O)CCCNC1 ZINC001246061199 804104491 /nfs/dbraw/zinc/10/44/91/804104491.db2.gz IQEWOGDIGSJXDQ-QGZVFWFLSA-N 1 1 284.488 3.173 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[N@@H+]1CCC[C@H]1CN ZINC001246055020 804105215 /nfs/dbraw/zinc/10/52/15/804105215.db2.gz JTUPNRDHUKMDKH-IRXDYDNUSA-N 1 1 284.488 3.301 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[N@H+]1CCC[C@H]1CN ZINC001246055020 804105220 /nfs/dbraw/zinc/10/52/20/804105220.db2.gz JTUPNRDHUKMDKH-IRXDYDNUSA-N 1 1 284.488 3.301 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCC(=O)[C@@H](C)CC1 ZINC001139029366 804111948 /nfs/dbraw/zinc/11/19/48/804111948.db2.gz VUSWAMBZINXPTO-AWEZNQCLSA-N 1 1 273.376 3.052 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCC(=O)[C@@H](C)CC1 ZINC001139029366 804111951 /nfs/dbraw/zinc/11/19/51/804111951.db2.gz VUSWAMBZINXPTO-AWEZNQCLSA-N 1 1 273.376 3.052 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@H](C)[C@](C)(O)CC1 ZINC001139029198 804112942 /nfs/dbraw/zinc/11/29/42/804112942.db2.gz RPEWSWJTDFYRPW-MAUKXSAKSA-N 1 1 289.419 3.234 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(Oc3ncccn3)cc2)C1 ZINC001139081932 804125051 /nfs/dbraw/zinc/12/50/51/804125051.db2.gz YERGFTSEKLCTCE-OAHLLOKOSA-N 1 1 293.370 3.114 20 30 CGEDMO CCCCCCCC[C@@H](CC)[NH2+]C1(CO)CCNCC1 ZINC001246116965 804147937 /nfs/dbraw/zinc/14/79/37/804147937.db2.gz HDTIPSBHMCSDQO-MRXNPFEDSA-N 1 1 284.488 3.220 20 30 CGEDMO CCCCCCC[C@@H](CC(C)C)[NH2+]C1(CO)CCNCC1 ZINC001246118533 804151155 /nfs/dbraw/zinc/15/11/55/804151155.db2.gz RFJAZBNQVVSFCP-KRWDZBQOSA-N 1 1 298.515 3.466 20 30 CGEDMO Cn1ccc2cc(C[N@H+]3CCC[C@H](C#N)CC3)ccc21 ZINC001139189492 804153070 /nfs/dbraw/zinc/15/30/70/804153070.db2.gz FDKFCSOBQLWRAV-AWEZNQCLSA-N 1 1 267.376 3.304 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccc2nsnc2c1 ZINC001139213912 804165866 /nfs/dbraw/zinc/16/58/66/804165866.db2.gz GHGMDFGZBVTCND-UHFFFAOYSA-N 1 1 261.394 3.479 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C[C@@H]1F ZINC001139400300 804187314 /nfs/dbraw/zinc/18/73/14/804187314.db2.gz NJLLIQBLRBYPMV-DYVFJYSZSA-N 1 1 295.361 3.410 20 30 CGEDMO CCCCCCCC[C@H](CC)[NH2+]C[C@]1(O)CCCNC1 ZINC001246231054 804223859 /nfs/dbraw/zinc/22/38/59/804223859.db2.gz NWYVRMFXSPWTGS-IRXDYDNUSA-N 1 1 284.488 3.220 20 30 CGEDMO COC(C)(C)[C@H]1CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC001139651818 804244229 /nfs/dbraw/zinc/24/42/29/804244229.db2.gz WAMQQDQNYFNPGH-OAHLLOKOSA-N 1 1 276.355 3.087 20 30 CGEDMO CCCCCCCC[C@@H](CCC)[NH2+][C@]1(CO)CCNC1 ZINC001246289043 804260373 /nfs/dbraw/zinc/26/03/73/804260373.db2.gz OCBMZJMIWBSQMK-IAGOWNOFSA-N 1 1 284.488 3.220 20 30 CGEDMO CC[N@@H+](Cc1c[nH]c2c1cccc2C#N)C1CCOCC1 ZINC001139703083 804261203 /nfs/dbraw/zinc/26/12/03/804261203.db2.gz ITJBFYAGNJUUJH-UHFFFAOYSA-N 1 1 283.375 3.040 20 30 CGEDMO N#Cc1cccc2c(C[N@H+]3CC[C@@H]4CCCO[C@@H]4C3)c[nH]c21 ZINC001139704474 804261220 /nfs/dbraw/zinc/26/12/20/804261220.db2.gz VVIYQKDFEMOOMF-SUMWQHHRSA-N 1 1 295.386 3.040 20 30 CGEDMO CO[C@H]1CCC[N@@H+](Cc2c[nH]c3c2cccc3C#N)CC1 ZINC001139706372 804261295 /nfs/dbraw/zinc/26/12/95/804261295.db2.gz SXSRFDGGMMTSJZ-HNNXBMFYSA-N 1 1 283.375 3.040 20 30 CGEDMO CCCCCCC[C@@H](CC(C)C)N[C@]1(CCO)CC[NH2+]C1 ZINC001246294036 804262738 /nfs/dbraw/zinc/26/27/38/804262738.db2.gz LRWIPVAFDGKIEN-ROUUACIJSA-N 1 1 298.515 3.466 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)cc1C#N ZINC001139724181 804267211 /nfs/dbraw/zinc/26/72/11/804267211.db2.gz JKQNEKCKPRPMSV-HZPDHXFCSA-N 1 1 254.377 3.489 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCCCO3)cc1C#N ZINC001139723160 804267923 /nfs/dbraw/zinc/26/79/23/804267923.db2.gz SRWIDZFTNGXHMC-QGZVFWFLSA-N 1 1 270.376 3.012 20 30 CGEDMO CCCCCCCC[C@H](CCC)[NH2+][C@@H]1CCNC[C@@H]1CO ZINC001246324687 804282341 /nfs/dbraw/zinc/28/23/41/804282341.db2.gz ZGDDAMQZKCEMSG-FGTMMUONSA-N 1 1 298.515 3.466 20 30 CGEDMO N#Cc1cc(F)cc(C[NH+]2CC3(C2)CCCCC3)c1 ZINC001139876333 804309084 /nfs/dbraw/zinc/30/90/84/804309084.db2.gz SIAMABPEPOXWOV-UHFFFAOYSA-N 1 1 258.340 3.463 20 30 CGEDMO CCCCCCCCC[C@@H](C)N[C@H]1C[NH2+][C@H](COC)C1 ZINC001246466584 804346862 /nfs/dbraw/zinc/34/68/62/804346862.db2.gz QYKANEMWRVSTQX-ZACQAIPSSA-N 1 1 284.488 3.482 20 30 CGEDMO C[C@]1(CF)CC[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140109946 804379713 /nfs/dbraw/zinc/37/97/13/804379713.db2.gz BOPWNYDMDWJIAF-MRXNPFEDSA-N 1 1 271.339 3.221 20 30 CGEDMO N#Cc1ccc2[nH]cc(C[N@H+]3CCCC34CC4)c2c1 ZINC001140112464 804381269 /nfs/dbraw/zinc/38/12/69/804381269.db2.gz VIULZYNCTKSHJZ-UHFFFAOYSA-N 1 1 251.333 3.168 20 30 CGEDMO CCOc1ccc2[nH]cc(C[N@@H+]3CC[C@](C)(C#N)C3)c2c1 ZINC001140275707 804407677 /nfs/dbraw/zinc/40/76/77/804407677.db2.gz YYELJQJBMNXIPZ-QGZVFWFLSA-N 1 1 283.375 3.302 20 30 CGEDMO CCOc1ccc2[nH]cc(C[N@H+]3CC[C@](C)(C#N)C3)c2c1 ZINC001140275707 804407682 /nfs/dbraw/zinc/40/76/82/804407682.db2.gz YYELJQJBMNXIPZ-QGZVFWFLSA-N 1 1 283.375 3.302 20 30 CGEDMO C[C@@H]1CC[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)C[C@@H]1N ZINC001246563239 804412121 /nfs/dbraw/zinc/41/21/21/804412121.db2.gz BJLFWPQDHISNIL-UJPJLTBQSA-N 1 1 297.446 3.254 20 30 CGEDMO C[C@@H]1CCN(C2CCC(c3ccc(C#N)cc3)CC2)C[C@@H]1[NH3+] ZINC001246563239 804412123 /nfs/dbraw/zinc/41/21/23/804412123.db2.gz BJLFWPQDHISNIL-UJPJLTBQSA-N 1 1 297.446 3.254 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CCNC[C@@H]1COC ZINC001246597039 804436495 /nfs/dbraw/zinc/43/64/95/804436495.db2.gz QWZFHROJQZSQSM-HZPDHXFCSA-N 1 1 270.461 3.046 20 30 CGEDMO CCCCCCC[C@@H](CC)N1CC[NH2+]C[C@@H]1COC ZINC001246597039 804436499 /nfs/dbraw/zinc/43/64/99/804436499.db2.gz QWZFHROJQZSQSM-HZPDHXFCSA-N 1 1 270.461 3.046 20 30 CGEDMO CCCCCCC[C@@H](CCC)[NH+]1CC2(C[NH2+]C2)C1 ZINC001246613502 804446709 /nfs/dbraw/zinc/44/67/09/804446709.db2.gz JOGJNLPYTCFOQJ-OAHLLOKOSA-N 1 1 252.446 3.421 20 30 CGEDMO COC[C@@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1Cl ZINC001140600105 804471119 /nfs/dbraw/zinc/47/11/19/804471119.db2.gz BUEBEXMWDAQFGH-AWEZNQCLSA-N 1 1 278.783 3.213 20 30 CGEDMO N#CC1CCC([N@H+]2CC[C@@H]2COCc2ccccc2)CC1 ZINC001256969045 807019366 /nfs/dbraw/zinc/01/93/66/807019366.db2.gz YHZISOFZRXDZSY-VMWRSERWSA-N 1 1 284.403 3.360 20 30 CGEDMO CCCCCCCCC[C@@H](C)[N@H+]1CC[C@](N)(C(=O)OC)C1 ZINC001246919327 804600454 /nfs/dbraw/zinc/60/04/54/804600454.db2.gz HHXYNCCMOJMHJL-NVXWUHKLSA-N 1 1 298.471 3.092 20 30 CGEDMO C[N@H+](Cc1ccc(F)cc1C#N)CC1CC(F)(F)C1 ZINC001141166372 804602862 /nfs/dbraw/zinc/60/28/62/804602862.db2.gz JCSSHEYOFVUWMJ-UHFFFAOYSA-N 1 1 268.282 3.174 20 30 CGEDMO C=CC1(CC(=O)N2CCC[N@H+](CC)C[C@H]2C)CCCCC1 ZINC001141861211 804675560 /nfs/dbraw/zinc/67/55/60/804675560.db2.gz TYPIYAKHKRMPLR-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO CC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)c(SC)n1 ZINC001141941468 804680999 /nfs/dbraw/zinc/68/09/99/804680999.db2.gz KYHDYDLICXVIPE-AWEZNQCLSA-N 1 1 275.421 3.440 20 30 CGEDMO C=CC[N@H+](Cc1ccc(C(=O)OC)o1)C1CCCCC1 ZINC001142639771 804745132 /nfs/dbraw/zinc/74/51/32/804745132.db2.gz XKJCIEDKTBKINZ-UHFFFAOYSA-N 1 1 277.364 3.387 20 30 CGEDMO N#CCC[N@@H+](Cc1cccc2[nH]cnc21)C1CCCC1 ZINC001142687425 804757379 /nfs/dbraw/zinc/75/73/79/804757379.db2.gz RVAMORVFNUNFFL-UHFFFAOYSA-N 1 1 268.364 3.221 20 30 CGEDMO N#CCC[N@H+](Cc1cccc2nc[nH]c21)C1CCCC1 ZINC001142687425 804757385 /nfs/dbraw/zinc/75/73/85/804757385.db2.gz RVAMORVFNUNFFL-UHFFFAOYSA-N 1 1 268.364 3.221 20 30 CGEDMO N#CCC[N@@H+](Cc1cccc2nc[nH]c21)C1CCCC1 ZINC001142687425 804757392 /nfs/dbraw/zinc/75/73/92/804757392.db2.gz RVAMORVFNUNFFL-UHFFFAOYSA-N 1 1 268.364 3.221 20 30 CGEDMO Cc1cccc(NCC[C@H]2CCC[N@H+](C)C2)c1C#N ZINC001165278381 806985292 /nfs/dbraw/zinc/98/52/92/806985292.db2.gz FTKDQWGRFXBVAY-CQSZACIVSA-N 1 1 257.381 3.011 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2ccc(OCC)cc2)no1 ZINC001247621937 804780978 /nfs/dbraw/zinc/78/09/78/804780978.db2.gz BXMLNJGGPBSCFW-ZDUSSCGKSA-N 1 1 273.336 3.101 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH3+])c1nc(-c2cc(Cl)c(F)cc2F)no1 ZINC001247621724 804781152 /nfs/dbraw/zinc/78/11/52/804781152.db2.gz ZABNCOPLBOQKBS-CAAJLBCPSA-N 1 1 297.692 3.028 20 30 CGEDMO CC1(C)CC[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)C1 ZINC001142921109 804783287 /nfs/dbraw/zinc/78/32/87/804783287.db2.gz HCMGHZXKDFHCOB-UHFFFAOYSA-N 1 1 253.349 3.271 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cccc3cccnc32)no1 ZINC001247623006 804784240 /nfs/dbraw/zinc/78/42/40/804784240.db2.gz UVZSMMPNCVYJOB-CYBMUJFWSA-N 1 1 280.331 3.251 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cccc(F)c2Cl)no1 ZINC001247623057 804784250 /nfs/dbraw/zinc/78/42/50/804784250.db2.gz WLZCQZGCPOSODJ-SNVBAGLBSA-N 1 1 281.718 3.495 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cc(-c2ccccc2)nn1C ZINC001143012955 804794764 /nfs/dbraw/zinc/79/47/64/804794764.db2.gz UZHFUTIAPRZUKZ-UHFFFAOYSA-N 1 1 267.376 3.261 20 30 CGEDMO C[N@H+]1CCC[C@@H](CCNc2ccc(C#N)c3[nH]ccc32)C1 ZINC001165290690 806989434 /nfs/dbraw/zinc/98/94/34/806989434.db2.gz WWOIXMOHCWTSQA-ZDUSSCGKSA-N 1 1 282.391 3.183 20 30 CGEDMO CCCCC[N@H+](C)Cc1c(F)ccc(C#N)c1F ZINC001143163967 804812263 /nfs/dbraw/zinc/81/22/63/804812263.db2.gz QFYLHVLKNPYBBC-UHFFFAOYSA-N 1 1 252.308 3.458 20 30 CGEDMO CCCCC[N@@H+](C)Cc1c(F)ccc(C#N)c1F ZINC001143163967 804812268 /nfs/dbraw/zinc/81/22/68/804812268.db2.gz QFYLHVLKNPYBBC-UHFFFAOYSA-N 1 1 252.308 3.458 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1c(OC)ccc(F)c1F ZINC001143413199 804850810 /nfs/dbraw/zinc/85/08/10/804850810.db2.gz MFZWCTTUKZLTBG-UHFFFAOYSA-N 1 1 255.308 3.371 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1c(OC)ccc(F)c1F ZINC001143413199 804850817 /nfs/dbraw/zinc/85/08/17/804850817.db2.gz MFZWCTTUKZLTBG-UHFFFAOYSA-N 1 1 255.308 3.371 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2ccc(Cl)c(F)c2)no1 ZINC001247966832 804858575 /nfs/dbraw/zinc/85/85/75/804858575.db2.gz HFWLIZAVHCGNEJ-JTQLQIEISA-N 1 1 267.691 3.105 20 30 CGEDMO Cc1c(F)cc(F)cc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001143767747 804893608 /nfs/dbraw/zinc/89/36/08/804893608.db2.gz KIPGSKSUIBFYHO-LBPRGKRZSA-N 1 1 264.319 3.399 20 30 CGEDMO CCOc1c(F)cc(C[N@@H+]2CCC[C@@H](C#N)CC2)cc1F ZINC001144030500 804928052 /nfs/dbraw/zinc/92/80/52/804928052.db2.gz AQIOFYBRLHPQGW-GFCCVEGCSA-N 1 1 294.345 3.489 20 30 CGEDMO CCOc1c(F)cc(C[N@H+]2CCC[C@@H](C#N)CC2)cc1F ZINC001144030500 804928056 /nfs/dbraw/zinc/92/80/56/804928056.db2.gz AQIOFYBRLHPQGW-GFCCVEGCSA-N 1 1 294.345 3.489 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(CC)c(O)c(CC)c2)C1 ZINC001144151343 804945280 /nfs/dbraw/zinc/94/52/80/804945280.db2.gz SOZNCATVZWVQAL-AWEZNQCLSA-N 1 1 271.404 3.362 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCC[C@H](F)CC1 ZINC001248748693 804982708 /nfs/dbraw/zinc/98/27/08/804982708.db2.gz SIWPNUMWPHKYSO-INIZCTEOSA-N 1 1 260.356 3.445 20 30 CGEDMO C#CC1CC[NH+](Cc2ncc(C(F)(F)F)cc2F)CC1 ZINC001248790259 804991356 /nfs/dbraw/zinc/99/13/56/804991356.db2.gz JLXAYYGGZCOEON-UHFFFAOYSA-N 1 1 286.272 3.085 20 30 CGEDMO C#Cc1ccc(C[N@@H+](C)CCC(=O)c2ccccc2)cc1 ZINC001144576597 805008302 /nfs/dbraw/zinc/00/83/02/805008302.db2.gz OIAWZTSBYNVGKU-UHFFFAOYSA-N 1 1 277.367 3.373 20 30 CGEDMO C=CC[N@@H+](C)Cc1nc2cccc(Br)c2o1 ZINC001248851610 805022946 /nfs/dbraw/zinc/02/29/46/805022946.db2.gz SBUBUXCTDYQKPP-UHFFFAOYSA-N 1 1 281.153 3.208 20 30 CGEDMO C=CC[N@H+](C)Cc1nc2cccc(Br)c2o1 ZINC001248851610 805022954 /nfs/dbraw/zinc/02/29/54/805022954.db2.gz SBUBUXCTDYQKPP-UHFFFAOYSA-N 1 1 281.153 3.208 20 30 CGEDMO C=CCCC1(CNC(=O)CC[N@@H+]2CC[C@@H](F)C2)CCCC1 ZINC001147182833 805114641 /nfs/dbraw/zinc/11/46/41/805114641.db2.gz MNAHVAGBEZEXJR-OAHLLOKOSA-N 1 1 296.430 3.063 20 30 CGEDMO C=CCCC(=O)N1CC2(C1)CC[N@H+](C[C@@H](C)CC(C)C)C2 ZINC001147183070 805114682 /nfs/dbraw/zinc/11/46/82/805114682.db2.gz ZVJPDCXBFKGTFD-INIZCTEOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H](C)CCC)C2)C1 ZINC001147269171 805118863 /nfs/dbraw/zinc/11/88/63/805118863.db2.gz YWBHYUMBXIUTAQ-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](CCC(C)C)C2 ZINC001148131095 805163948 /nfs/dbraw/zinc/16/39/48/805163948.db2.gz PPBVBGSIKRMHMA-MRXNPFEDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC2(C1)CC[N@H+](C[C@@H](C)CC)C2 ZINC001148126534 805164779 /nfs/dbraw/zinc/16/47/79/805164779.db2.gz ZLMGJHYZKLYDGN-JKSUJKDBSA-N 1 1 292.467 3.169 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(F)cc3cc[nH]c32)C1 ZINC001249525681 805165986 /nfs/dbraw/zinc/16/59/86/805165986.db2.gz YIPBWAZVQIUXHD-LBPRGKRZSA-N 1 1 256.324 3.152 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)C3(CC)CC3)C2)C1 ZINC001148235001 805169869 /nfs/dbraw/zinc/16/98/69/805169869.db2.gz HAGLMBJYRJHTLX-OAHLLOKOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H](CC)CCC)C2)C1 ZINC001148497368 805189934 /nfs/dbraw/zinc/18/99/34/805189934.db2.gz XCNCWYXFNYAPFK-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO CCCCCCCNC(=S)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001249645130 805200037 /nfs/dbraw/zinc/20/00/37/805200037.db2.gz CPPQRBIUKSRCFZ-QDMKHBRRSA-N 1 1 297.512 3.046 20 30 CGEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)C[C@@H](CC)C(C)C)C2)C1 ZINC001148635314 805201884 /nfs/dbraw/zinc/20/18/84/805201884.db2.gz FJUUFELEPLNJBC-MRXNPFEDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(CC)C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001150960499 805274869 /nfs/dbraw/zinc/27/48/69/805274869.db2.gz GFQDDCATOOIHSD-JKSUJKDBSA-N 1 1 286.419 3.074 20 30 CGEDMO COc1cc(Nc2cc(C)ccc2C#N)[nH+]cc1C ZINC001249899820 805289145 /nfs/dbraw/zinc/28/91/45/805289145.db2.gz XOZCTXQAYBJUFZ-UHFFFAOYSA-N 1 1 253.305 3.322 20 30 CGEDMO C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)CCC ZINC001151565619 805297131 /nfs/dbraw/zinc/29/71/31/805297131.db2.gz JGCPAEBSHSEAOA-OAHLLOKOSA-N 1 1 268.445 3.360 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)C(C)C ZINC001152334092 805346795 /nfs/dbraw/zinc/34/67/95/805346795.db2.gz YWACZWWCRWUFNO-LSDHHAIUSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)CCC ZINC001152460530 805351823 /nfs/dbraw/zinc/35/18/23/805351823.db2.gz RTFQXCJZELZJCH-LSDHHAIUSA-N 1 1 268.445 3.215 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)C(C)=C1CCCC1 ZINC001152701982 805364199 /nfs/dbraw/zinc/36/41/99/805364199.db2.gz OPQBVJUPVLBYCF-CQSZACIVSA-N 1 1 278.440 3.280 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C1=CCCCCC1 ZINC001152948056 805375997 /nfs/dbraw/zinc/37/59/97/805375997.db2.gz FIFCNONFLZOGLD-CQSZACIVSA-N 1 1 298.858 3.456 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C1=CCCCCC1 ZINC001152948056 805376005 /nfs/dbraw/zinc/37/60/05/805376005.db2.gz FIFCNONFLZOGLD-CQSZACIVSA-N 1 1 298.858 3.456 20 30 CGEDMO N#CCCCCc1ccc(C2([NH+]3CCOCC3)CC2)cc1 ZINC001250065910 805399553 /nfs/dbraw/zinc/39/95/53/805399553.db2.gz IWSXADZCOVKRGA-UHFFFAOYSA-N 1 1 284.403 3.244 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@]1(C)CC=CCC1 ZINC001153566342 805403452 /nfs/dbraw/zinc/40/34/52/805403452.db2.gz BBCJYGSYDDBKHZ-WBVHZDCISA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H](C)[N@@H+](CC)CCC(=C)C ZINC001153625661 805408230 /nfs/dbraw/zinc/40/82/30/805408230.db2.gz CGLPJHQVIDFXHW-OAHLLOKOSA-N 1 1 266.429 3.136 20 30 CGEDMO C#CCC1(C(=O)NC[C@@H](C)[N@H+](CC)C[C@H](C)CC)CCC1 ZINC001153776133 805414911 /nfs/dbraw/zinc/41/49/11/805414911.db2.gz CSRJRQUGBNIICV-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)CCC(C)(C)C ZINC001154605405 805466229 /nfs/dbraw/zinc/46/62/29/805466229.db2.gz HYFFCHNNJBIMQW-CQSZACIVSA-N 1 1 282.472 3.461 20 30 CGEDMO CC#CCCCC(=O)NC[C@@H](C)[N@H+](CC)CC(CC)CC ZINC001154747192 805483359 /nfs/dbraw/zinc/48/33/59/805483359.db2.gz JSUGBCBKSXWSSG-MRXNPFEDSA-N 1 1 294.483 3.443 20 30 CGEDMO COc1c(C)ccc(F)c1C[NH+]1CCC(C)(C#N)CC1 ZINC001250250697 805521447 /nfs/dbraw/zinc/52/14/47/805521447.db2.gz GPZZZUISCHIIMW-UHFFFAOYSA-N 1 1 276.355 3.268 20 30 CGEDMO COc1c(C)ccc(F)c1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001250251405 805522311 /nfs/dbraw/zinc/52/23/11/805522311.db2.gz QDTQNSTWMXISEJ-CYBMUJFWSA-N 1 1 276.355 3.268 20 30 CGEDMO COc1c(C)ccc(F)c1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001250251405 805522315 /nfs/dbraw/zinc/52/23/15/805522315.db2.gz QDTQNSTWMXISEJ-CYBMUJFWSA-N 1 1 276.355 3.268 20 30 CGEDMO C=CCCC1(C(=O)NC[C@@H](C)[N@@H+](CC)CC(=C)C)CC1 ZINC001155037693 805527163 /nfs/dbraw/zinc/52/71/63/805527163.db2.gz ZEZWWABNTLSZAX-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)C1CCC(F)CC1 ZINC001155041054 805528951 /nfs/dbraw/zinc/52/89/51/805528951.db2.gz NEVUGOWQQAUPPV-QQFBHYJXSA-N 1 1 298.446 3.308 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H](C)[N@@H+](CC)CC1CCC1 ZINC001155073176 805535229 /nfs/dbraw/zinc/53/52/29/805535229.db2.gz RWPBPWSWTWCUCO-RHSMWYFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H](C)[N@@H+](CC)CC2CCCC2)C1 ZINC001155127057 805542096 /nfs/dbraw/zinc/54/20/96/805542096.db2.gz RIFKEKQFYXXLLQ-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)c1ccsc1 ZINC001155200457 805555880 /nfs/dbraw/zinc/55/58/80/805555880.db2.gz RBTIWPFNQMQQQG-KGLIPLIRSA-N 1 1 294.464 3.254 20 30 CGEDMO C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C1CCC(C#N)CC1 ZINC001256973093 807020039 /nfs/dbraw/zinc/02/00/39/807020039.db2.gz LCMXAEONJSPBTK-ZGUYJTEBSA-N 1 1 289.467 3.408 20 30 CGEDMO C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1C1CCC(C#N)CC1 ZINC001256973093 807020046 /nfs/dbraw/zinc/02/00/46/807020046.db2.gz LCMXAEONJSPBTK-ZGUYJTEBSA-N 1 1 289.467 3.408 20 30 CGEDMO CN1CCC[C@H]1C[C@H]1CCCC[N@@H+]1C1CCC(C#N)CC1 ZINC001256973093 807020050 /nfs/dbraw/zinc/02/00/50/807020050.db2.gz LCMXAEONJSPBTK-ZGUYJTEBSA-N 1 1 289.467 3.408 20 30 CGEDMO CN1CCC[C@H]1C[C@H]1CCCC[N@H+]1C1CCC(C#N)CC1 ZINC001256973093 807020057 /nfs/dbraw/zinc/02/00/57/807020057.db2.gz LCMXAEONJSPBTK-ZGUYJTEBSA-N 1 1 289.467 3.408 20 30 CGEDMO CN1CC[C@H](C[NH2+]C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257011253 807026025 /nfs/dbraw/zinc/02/60/25/807026025.db2.gz INTWESBAVMYWBU-IPJUCJBFSA-N 1 1 297.446 3.126 20 30 CGEDMO C[C@@H]1C[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)CCC1=O ZINC001257017526 807027863 /nfs/dbraw/zinc/02/78/63/807027863.db2.gz VSWJRTQWPCWVHT-RWBZWWBESA-N 1 1 296.414 3.495 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H]1CC[C@@H](C(=O)OCC)C1 ZINC001257066535 807040703 /nfs/dbraw/zinc/04/07/03/807040703.db2.gz ZFIBPDVYZJBEES-IAGOWNOFSA-N 1 1 287.403 3.406 20 30 CGEDMO C=C[C@@H]1C[C@@]1([NH2+][C@H](CC)CCCC)C(=O)OCC ZINC001257412996 807143805 /nfs/dbraw/zinc/14/38/05/807143805.db2.gz QFQOSNNPLKBZPA-NFAWXSAZSA-N 1 1 253.386 3.053 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H](C)CC)[C@@H]2CC ZINC001257439748 807157263 /nfs/dbraw/zinc/15/72/63/807157263.db2.gz IYZVAWYIQIWCMA-UXLLHSPISA-N 1 1 278.440 3.207 20 30 CGEDMO C=CCN1C(=O)CC[C@@]12CCC[N@H+](C1CCCCC1)CC2 ZINC001257458059 807166875 /nfs/dbraw/zinc/16/68/75/807166875.db2.gz PGPUIIMOLFJVGB-GOSISDBHSA-N 1 1 290.451 3.352 20 30 CGEDMO C#CC[N@H+](C[C@H](O)CC1CCCC1)C1CCCCC1 ZINC001167273745 807174935 /nfs/dbraw/zinc/17/49/35/807174935.db2.gz RBVYMUNDTPZXLB-QGZVFWFLSA-N 1 1 263.425 3.196 20 30 CGEDMO C#CC[N@H+](C[C@@H]1CCCC[C@@H]1C(=O)OC)C1CCCCC1 ZINC001167274115 807175013 /nfs/dbraw/zinc/17/50/13/807175013.db2.gz YJQUJYAWIDOHOS-RDJZCZTQSA-N 1 1 291.435 3.234 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC001167499593 807201268 /nfs/dbraw/zinc/20/12/68/807201268.db2.gz LNMHWADNQLKCCW-WMZOPIPTSA-N 1 1 271.404 3.327 20 30 CGEDMO Cc1cc(NCc2ccccc2C#N)c2[nH+]ccn2c1 ZINC001167636019 807222053 /nfs/dbraw/zinc/22/20/53/807222053.db2.gz VKJMZRNVRKDEIZ-UHFFFAOYSA-N 1 1 262.316 3.127 20 30 CGEDMO CCN(C)c1nc(N[C@@H](C)c2cccc(C#N)c2)[nH+]cc1C ZINC001167708317 807231190 /nfs/dbraw/zinc/23/11/90/807231190.db2.gz DFFYCRJWZZVCGC-ZDUSSCGKSA-N 1 1 295.390 3.286 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CC(F)(F)CC[C@@H]3CO)C[C@H](C1)C2 ZINC001257891176 807241496 /nfs/dbraw/zinc/24/14/96/807241496.db2.gz FKRLTXHPSZAVMA-PEUVFPKISA-N 1 1 285.378 3.213 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CC(F)(F)CC[C@@H]3CO)C[C@H](C1)C2 ZINC001257891176 807241498 /nfs/dbraw/zinc/24/14/98/807241498.db2.gz FKRLTXHPSZAVMA-PEUVFPKISA-N 1 1 285.378 3.213 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CC[C@@](O)(C(F)(F)F)C3)C[C@H](C1)C2 ZINC001257892342 807243064 /nfs/dbraw/zinc/24/30/64/807243064.db2.gz XBICQFAVBKCLSV-PIGZVRMJSA-N 1 1 289.341 3.120 20 30 CGEDMO CCC(C#N)(CC)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167979277 807290941 /nfs/dbraw/zinc/29/09/41/807290941.db2.gz ZGUYUUVHFPISOT-MQVJKMGUSA-N 1 1 275.440 3.064 20 30 CGEDMO C[C@@H]1C[C@@H](NCC2(C#N)CC2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168018768 807301017 /nfs/dbraw/zinc/30/10/17/807301017.db2.gz DLIKIZJVFPOSQM-ALXJQNPVSA-N 1 1 297.446 3.321 20 30 CGEDMO C[C@@H]1C[C@@H](N2CC[C@@H](C#N)C2)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168058647 807302043 /nfs/dbraw/zinc/30/20/43/807302043.db2.gz BMJNWFDTOMIUAO-NBMJBFSESA-N 1 1 297.446 3.273 20 30 CGEDMO C[C@@H](Cc1ccco1)[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001258186568 807351306 /nfs/dbraw/zinc/35/13/06/807351306.db2.gz PCUXDZANOJUPOU-ZDUSSCGKSA-N 1 1 266.344 3.141 20 30 CGEDMO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](C1CCC(C)CC1)C2 ZINC001168216957 807353690 /nfs/dbraw/zinc/35/36/90/807353690.db2.gz GEVBTENWHKDPOD-OPQOLIRYSA-N 1 1 293.451 3.391 20 30 CGEDMO CCCCCCCCC[C@@H](C)[N@H+]1CCNC(=O)CC1 ZINC001258229289 807376965 /nfs/dbraw/zinc/37/69/65/807376965.db2.gz PPRUEXWCLKZVTJ-OAHLLOKOSA-N 1 1 268.445 3.338 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](C[C@H]2CCCCC2(F)F)C1 ZINC001168424912 807410702 /nfs/dbraw/zinc/41/07/02/807410702.db2.gz YLBCUWLVSTXRQG-CHWSQXEVSA-N 1 1 259.340 3.089 20 30 CGEDMO C=CCN1C(=O)CCC[C@@]12CCC[N@H+]([C@@H](C)CC1CC1)C2 ZINC001258461418 807463745 /nfs/dbraw/zinc/46/37/45/807463745.db2.gz PCJMAVYUMCCAKA-YJBOKZPZSA-N 1 1 290.451 3.208 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@H]2CCO[C@H](c3ccc(OC)cc3)C2)C1 ZINC001168665315 807471690 /nfs/dbraw/zinc/47/16/90/807471690.db2.gz PASLCNYMPVYEAT-AYBZRNKSSA-N 1 1 299.414 3.261 20 30 CGEDMO C#C[C@H]1CCC[N@H+](C2CCC3(CC2)OCC(C)(C)CO3)C1 ZINC001258526634 807485361 /nfs/dbraw/zinc/48/53/61/807485361.db2.gz QYWASGHHOQONTL-HNNXBMFYSA-N 1 1 291.435 3.044 20 30 CGEDMO C[C@H](Cc1cccnc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001258626500 807515362 /nfs/dbraw/zinc/51/53/62/807515362.db2.gz BKNNZZUTCHXLOI-CQSZACIVSA-N 1 1 265.360 3.016 20 30 CGEDMO C[C@@H]1C[C@H]([N@H+]2CCC3SC(=O)C=C3C2)CC(C)(C)C1 ZINC001258697855 807551608 /nfs/dbraw/zinc/55/16/08/807551608.db2.gz SPADDAXGQCIBDH-KWCYVHTRSA-N 1 1 279.449 3.475 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCC[C@](C)(C(=O)OCC)C1 ZINC001258725802 807573134 /nfs/dbraw/zinc/57/31/34/807573134.db2.gz NFFYBLXLUSQKFB-HOCLYGCPSA-N 1 1 267.413 3.396 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](c2nc(CC)no2)C1 ZINC001258732014 807578124 /nfs/dbraw/zinc/57/81/24/807578124.db2.gz HLVMXWBENIZZTF-STQMWFEESA-N 1 1 263.385 3.166 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H]1C(=O)Nc1ccccc1 ZINC001258733492 807579065 /nfs/dbraw/zinc/57/90/65/807579065.db2.gz GXAQLDHLTCGBGT-HOCLYGCPSA-N 1 1 272.392 3.444 20 30 CGEDMO C=CCC[C@H](C)[NH+]1CCN(CC2CCCC2)CC1 ZINC001258735460 807580482 /nfs/dbraw/zinc/58/04/82/807580482.db2.gz UZQCNHWEEWMFOA-HNNXBMFYSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CCC[C@H](C)[N@H+](CCC(=O)OCC)[C@H](CCC)COC ZINC001258733860 807580775 /nfs/dbraw/zinc/58/07/75/807580775.db2.gz NAGLHLYFRKYXKY-JKSUJKDBSA-N 1 1 299.455 3.411 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH2+][C@H](CC)C[C@H](C)CC)C(=O)OCC ZINC001258783245 807610540 /nfs/dbraw/zinc/61/05/40/807610540.db2.gz BNKMCUMOINDGCY-IXYNUQLISA-N 1 1 267.413 3.299 20 30 CGEDMO C=CCOC(=O)[C@H](CC(C)C)[NH2+][C@H]1CCC[C@H](C)C1 ZINC001258807460 807627217 /nfs/dbraw/zinc/62/72/17/807627217.db2.gz JFCMBGJSTUNFMM-KKUMJFAQSA-N 1 1 267.413 3.299 20 30 CGEDMO C[C@@H]1CCC[C@H]([N@H+]2CCc3cc(C#N)ccc3C2)C1 ZINC001258817812 807634634 /nfs/dbraw/zinc/63/46/34/807634634.db2.gz AVCPYFDUJYONLU-DYVFJYSZSA-N 1 1 254.377 3.495 20 30 CGEDMO CCCCCCCC[N@@H+](C)[C@@H]1CC[C@@H](C(=O)OCC)OC1 ZINC001169391660 807638159 /nfs/dbraw/zinc/63/81/59/807638159.db2.gz JAIUIYLBQYOJBT-CVEARBPZSA-N 1 1 299.455 3.389 20 30 CGEDMO CCCC[N@@H+](CCC#N)[C@@H]1CCCN(C(=O)OCC)CC1 ZINC001169695296 807689382 /nfs/dbraw/zinc/68/93/82/807689382.db2.gz VPCNAOLWQYKHIO-OAHLLOKOSA-N 1 1 295.427 3.013 20 30 CGEDMO C#CC[N@H+](Cc1cnc2ccc(C)cc2c1)CC1CC1 ZINC001261360795 807737938 /nfs/dbraw/zinc/73/79/38/807737938.db2.gz WTQFUMITASVHEO-UHFFFAOYSA-N 1 1 264.372 3.388 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001261360656 807738602 /nfs/dbraw/zinc/73/86/02/807738602.db2.gz SICJNANYCKEKCE-ZIAGYGMSSA-N 1 1 282.391 3.435 20 30 CGEDMO CC(C)CCC[C@H](C)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001170079171 807749632 /nfs/dbraw/zinc/74/96/32/807749632.db2.gz YAGASDWVSQUQTG-JSGCOSHPSA-N 1 1 267.438 3.475 20 30 CGEDMO N#Cc1ccc(CNc2[nH+]ccc3cc[nH]c32)cc1F ZINC001170096052 807757517 /nfs/dbraw/zinc/75/75/17/807757517.db2.gz VIFBKJPHZLYHQG-UHFFFAOYSA-N 1 1 266.279 3.186 20 30 CGEDMO N#Cc1ccc(CO[NH+]=C(N)C23CC4CC(CC(C4)C2)C3)o1 ZINC001261889506 807798620 /nfs/dbraw/zinc/79/86/20/807798620.db2.gz AUOOOWFOKZMICB-UHFFFAOYSA-N 1 1 299.374 3.366 20 30 CGEDMO CC(C)[N@@H+](CCN)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170359007 807829701 /nfs/dbraw/zinc/82/97/01/807829701.db2.gz LTSVJQDDJUTWBN-UHFFFAOYSA-N 1 1 285.435 3.060 20 30 CGEDMO N#CC1(c2ccccc2)CCC([N@H+]2CC[C@@H](F)C2)CC1 ZINC001170379416 807831838 /nfs/dbraw/zinc/83/18/38/807831838.db2.gz XOLIVBQGCQBERJ-KLAILNCOSA-N 1 1 272.367 3.434 20 30 CGEDMO C[C@H]1C[C@@H](O)CC[N@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170388826 807833827 /nfs/dbraw/zinc/83/38/27/807833827.db2.gz GXUSJQKFEIGKFO-BARLLCKDSA-N 1 1 298.430 3.236 20 30 CGEDMO C=CC[C@@H]1[N@H+](C[C@H]2CCC3(COC3)O2)CCCC1(C)C ZINC001262276995 807845163 /nfs/dbraw/zinc/84/51/63/807845163.db2.gz VLOPWTPKUSPLKD-CABCVRRESA-N 1 1 279.424 3.001 20 30 CGEDMO N#C[C@@H]1CCC[N@H+]([C@H]2CCc3cc(F)cc(F)c3C2)CC1 ZINC001170701601 807878657 /nfs/dbraw/zinc/87/86/57/807878657.db2.gz QSWMPIAHGFBVSZ-DOMZBBRYSA-N 1 1 290.357 3.448 20 30 CGEDMO CC[N@@H+](CCC#N)[C@@H]1CCc2cccc(Cl)c2C1 ZINC001170932638 807938299 /nfs/dbraw/zinc/93/82/99/807938299.db2.gz GEXGXPVEIFFXCL-CYBMUJFWSA-N 1 1 262.784 3.433 20 30 CGEDMO N#C[C@@H]1CC=C(Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC001212860696 815163279 /nfs/dbraw/zinc/16/32/79/815163279.db2.gz DEWWAIOEGSQTTQ-OAHLLOKOSA-N 1 1 297.402 3.138 20 30 CGEDMO COC[C@@]12CCC[C@@H]1C[N@H+]([C@H](C)Cc1cccc(C#N)c1)C2 ZINC001171218731 808010754 /nfs/dbraw/zinc/01/07/54/808010754.db2.gz WJSRWTXMZKJNBX-LZQZEXGQSA-N 1 1 298.430 3.238 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@H](c2ccncc2)C1 ZINC001171221234 808011453 /nfs/dbraw/zinc/01/14/53/808011453.db2.gz JHNGTTMPWTXLMX-KXBFYZLASA-N 1 1 291.398 3.374 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@H](c2cccnc2)C1 ZINC001171221694 808011866 /nfs/dbraw/zinc/01/18/66/808011866.db2.gz SHFLMISFHOPMMK-KXBFYZLASA-N 1 1 291.398 3.374 20 30 CGEDMO COCC[C@H]1CCCC[N@H+]1[C@H](C)Cc1cccc(C#N)c1 ZINC001171221865 808012175 /nfs/dbraw/zinc/01/21/75/808012175.db2.gz WICHEUZPZJCUJR-CRAIPNDOSA-N 1 1 286.419 3.380 20 30 CGEDMO CC[N@@H+](CCN1CCCCC1)[C@H](C)Cc1cccc(C#N)c1 ZINC001171222743 808012397 /nfs/dbraw/zinc/01/23/97/808012397.db2.gz IWTZMVQXJYBGSU-QGZVFWFLSA-N 1 1 299.462 3.297 20 30 CGEDMO CCN(CC[NH+]1CCCCC1)[C@H](C)Cc1cccc(C#N)c1 ZINC001171222743 808012403 /nfs/dbraw/zinc/01/24/03/808012403.db2.gz IWTZMVQXJYBGSU-QGZVFWFLSA-N 1 1 299.462 3.297 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)CC(C)C)[C@H]1C ZINC001264129120 808038215 /nfs/dbraw/zinc/03/82/15/808038215.db2.gz MYPIGKYCIIPYRW-CVEARBPZSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CCC2CCCC2)[C@H]1C ZINC001264128934 808039071 /nfs/dbraw/zinc/03/90/71/808039071.db2.gz JDVIOQOQMISROA-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](C)C1CCC1 ZINC001264183023 808044202 /nfs/dbraw/zinc/04/42/02/808044202.db2.gz FOYBFTOOMBLRPX-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO N#C[C@@H]1CCC[N@H+]([C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171438455 808057447 /nfs/dbraw/zinc/05/74/47/808057447.db2.gz SGFCGSPJIUFBDR-HIFRSBDPSA-N 1 1 272.367 3.309 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N(C)C[C@H]1CC[N@@H+]1CCCCC ZINC001264367296 808060236 /nfs/dbraw/zinc/06/02/36/808060236.db2.gz VWNICZYIUIXCFT-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC(C)(C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC(CC)CC ZINC001264368495 808060330 /nfs/dbraw/zinc/06/03/30/808060330.db2.gz GLDORDQDFCRNKW-HNNXBMFYSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CCCCC ZINC001264367295 808060811 /nfs/dbraw/zinc/06/08/11/808060811.db2.gz VWNICZYIUIXCFT-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@](C)(CC)CCC ZINC001264374590 808063003 /nfs/dbraw/zinc/06/30/03/808063003.db2.gz KDSIVUOBIMKIDV-DOTOQJQBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)CC)[C@H]1C ZINC001264688751 808086063 /nfs/dbraw/zinc/08/60/63/808086063.db2.gz XRFDEPQIOVMGKH-XHSDSOJGSA-N 1 1 280.456 3.358 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@H]2CCc3cc(F)c(F)c(F)c3C2)C1 ZINC001171544479 808089234 /nfs/dbraw/zinc/08/92/34/808089234.db2.gz VFPGLPILVNEPMC-YPMHNXCESA-N 1 1 293.332 3.306 20 30 CGEDMO Cc1cccc2c1CC[C@@H]([N@H+]1CCC3SC(=O)C=C3C1)C2 ZINC001171567905 808099914 /nfs/dbraw/zinc/09/99/14/808099914.db2.gz WPTSNHXPXMGFSL-WBVHZDCISA-N 1 1 299.439 3.126 20 30 CGEDMO C#CCC[N@H+](CC)CCCNC(=O)[C@]1(C)CCC[C@H]1CC ZINC001265119678 808110729 /nfs/dbraw/zinc/11/07/29/808110729.db2.gz NFPPEJHUSHCBBJ-SJLPKXTDSA-N 1 1 292.467 3.054 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](CC)CCCC)C1 ZINC001265221312 808120305 /nfs/dbraw/zinc/12/03/05/808120305.db2.gz XRQLHSVYLBFIMZ-DLBZAZTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@H](NC(=O)c2cccs2)C1 ZINC001265267683 808124177 /nfs/dbraw/zinc/12/41/77/808124177.db2.gz AJSRJWNKDLCCQZ-AWEZNQCLSA-N 1 1 292.448 3.299 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@@H+](CC2CCC3(CC3)CC2)C1 ZINC001265275523 808125100 /nfs/dbraw/zinc/12/51/00/808125100.db2.gz QQSFCVVPQYODBU-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)C23CCC(CC2)C3)C1 ZINC001265289844 808127098 /nfs/dbraw/zinc/12/70/98/808127098.db2.gz DKAKCVKSQZXCSL-VUGNNNGISA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)CC2CCCCC2)C1 ZINC001265306337 808129081 /nfs/dbraw/zinc/12/90/81/808129081.db2.gz NWKABMCGGGYBFK-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCN(CC=C)[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001171761281 808131916 /nfs/dbraw/zinc/13/19/16/808131916.db2.gz CSYLIMHADDLDLE-AEFFLSMTSA-N 1 1 270.420 3.323 20 30 CGEDMO C[C@@H]1C[C@@H](N2CCCC[C@H]2C#N)C[N@H+]1Cc1ccccc1 ZINC001171762864 808133553 /nfs/dbraw/zinc/13/35/53/808133553.db2.gz MMMOJPPZRAAPKY-BPQIPLTHSA-N 1 1 283.419 3.027 20 30 CGEDMO N#Cc1ccc2c(c1)CC[N@H+]([C@H]1Cc3cccc(F)c3C1)C2 ZINC001171793199 808142087 /nfs/dbraw/zinc/14/20/87/808142087.db2.gz KIBYNDVNDKDILO-KRWDZBQOSA-N 1 1 292.357 3.223 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]2C[N@@H+](CCCF)CC[C@@H]21 ZINC001265522668 808150208 /nfs/dbraw/zinc/15/02/08/808150208.db2.gz ALXSVECTCNQWPH-CVEARBPZSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](CNC(=O)C[C@H]2C=CCCC2)C1 ZINC001265584900 808157386 /nfs/dbraw/zinc/15/73/86/808157386.db2.gz WVFXFNGHPFRJMN-IRXDYDNUSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](CCC)C(C)C)C1 ZINC001265593141 808158757 /nfs/dbraw/zinc/15/87/57/808158757.db2.gz QHIUUYHZBWITAP-HOTGVXAUSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H](C)C1CC1 ZINC001265658335 808166442 /nfs/dbraw/zinc/16/64/42/808166442.db2.gz WXCLYHSZFUPZEY-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@@H+]1CC ZINC001265695919 808169307 /nfs/dbraw/zinc/16/93/07/808169307.db2.gz CRZJDBZXFXQUAK-HOTGVXAUSA-N 1 1 278.440 3.208 20 30 CGEDMO N#CC1CN([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172076581 808169578 /nfs/dbraw/zinc/16/95/78/808169578.db2.gz GCXNTXLAAKCTRA-REPLKXPHSA-N 1 1 295.430 3.027 20 30 CGEDMO C=CC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172063799 808169955 /nfs/dbraw/zinc/16/99/55/808169955.db2.gz DOGIWZSOPBWRFB-BCDXTJNWSA-N 1 1 270.420 3.348 20 30 CGEDMO CCCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C#CC(C)(C)C)C1 ZINC001265702892 808171152 /nfs/dbraw/zinc/17/11/52/808171152.db2.gz JDIFNOCEYGZLRW-HOTGVXAUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001172102477 808174340 /nfs/dbraw/zinc/17/43/40/808174340.db2.gz NFDVYPATUUXMKO-FICVDOATSA-N 1 1 294.439 3.425 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001172309086 808222679 /nfs/dbraw/zinc/22/26/79/808222679.db2.gz QKVDXISYDZCPNJ-RRQGHBQHSA-N 1 1 254.377 3.221 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)C1CC(F)(F)C1 ZINC001172310024 808223181 /nfs/dbraw/zinc/22/31/81/808223181.db2.gz ZNLQWDGRFROEDX-LLVKDONJSA-N 1 1 264.319 3.219 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1ccccn1 ZINC001172309467 808223606 /nfs/dbraw/zinc/22/36/06/808223606.db2.gz UJOOXZSISOWGML-CQSZACIVSA-N 1 1 265.360 3.016 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CCC[N@H+](CCCC(C)C)C1 ZINC001266236410 808230216 /nfs/dbraw/zinc/23/02/16/808230216.db2.gz HSPFDMNKGWCXAY-MRXNPFEDSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)C(C)(C)C ZINC001266288752 808237154 /nfs/dbraw/zinc/23/71/54/808237154.db2.gz OHYJTCLIBPJVBJ-UONOGXRCSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC)s2)C1 ZINC001266327527 808243805 /nfs/dbraw/zinc/24/38/05/808243805.db2.gz GWIMVMNFEBPWPL-ZDUSSCGKSA-N 1 1 292.448 3.081 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)[C@H](C)[C@@H](C)C(C)(C)C ZINC001266338175 808244354 /nfs/dbraw/zinc/24/43/54/808244354.db2.gz YITQGAWKZDESOE-HUUCEWRRSA-N 1 1 282.472 3.319 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CC[C@H](OCC(=O)OC)C1 ZINC001172362310 808257125 /nfs/dbraw/zinc/25/71/25/808257125.db2.gz VEIVXQYTVUQENF-CVEARBPZSA-N 1 1 299.455 3.389 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)CCCC#CC ZINC001266476654 808272683 /nfs/dbraw/zinc/27/26/83/808272683.db2.gz AGSALWLIYRSULW-IRXDYDNUSA-N 1 1 290.451 3.115 20 30 CGEDMO C=C(C)C[N@H+](CCNC(=O)c1ccc(CC)s1)C1CC1 ZINC001266600358 808294630 /nfs/dbraw/zinc/29/46/30/808294630.db2.gz RJSUQSZSKNCFPR-UHFFFAOYSA-N 1 1 292.448 3.081 20 30 CGEDMO CCOCC[C@@H](C)[N@H+](CCC#N)Cc1ccccc1 ZINC001172424412 808305132 /nfs/dbraw/zinc/30/51/32/808305132.db2.gz SEWOIVYCOZJQNQ-OAHLLOKOSA-N 1 1 260.381 3.217 20 30 CGEDMO CCOCC[C@@H](C)[N@@H+](CCC#N)Cc1ccccc1 ZINC001172424412 808305141 /nfs/dbraw/zinc/30/51/41/808305141.db2.gz SEWOIVYCOZJQNQ-OAHLLOKOSA-N 1 1 260.381 3.217 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H](CNC(=O)c2cccs2)C1 ZINC001266737479 808310152 /nfs/dbraw/zinc/31/01/52/808310152.db2.gz VORCYDFGQFBTAQ-AWEZNQCLSA-N 1 1 292.448 3.156 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1CCC[N@H+](CC[C@H](C)F)C1 ZINC001266758420 808314609 /nfs/dbraw/zinc/31/46/09/808314609.db2.gz SKFFVNHBAHJGOI-LSDHHAIUSA-N 1 1 298.446 3.165 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@H]1CCCC[N@@H+]1C/C=C\Cl ZINC001266853801 808325856 /nfs/dbraw/zinc/32/58/56/808325856.db2.gz UBERCGJYQLPYDO-UEDYQVLESA-N 1 1 298.858 3.312 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@H]1CCCC[N@H+]1C/C=C\Cl ZINC001266853801 808325866 /nfs/dbraw/zinc/32/58/66/808325866.db2.gz UBERCGJYQLPYDO-UEDYQVLESA-N 1 1 298.858 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCC(=C)C ZINC001266887661 808330364 /nfs/dbraw/zinc/33/03/64/808330364.db2.gz ZPWIXOIGILOIOZ-SJORKVTESA-N 1 1 290.451 3.374 20 30 CGEDMO CCCCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C#CC(C)C)C1 ZINC001266890098 808330775 /nfs/dbraw/zinc/33/07/75/808330775.db2.gz ISSKQHVXQHVETB-SJORKVTESA-N 1 1 292.467 3.053 20 30 CGEDMO C#CCCCC(=O)N[C@@H](C)[C@H]1CCC[N@H+](CCC(C)C)C1 ZINC001266891838 808331094 /nfs/dbraw/zinc/33/10/94/808331094.db2.gz LFRYNLQTOKLVJT-IRXDYDNUSA-N 1 1 292.467 3.053 20 30 CGEDMO C[C@H](CCCC#N)[N@@H+](C)CCC(=O)c1cccs1 ZINC001172497567 808353491 /nfs/dbraw/zinc/35/34/91/808353491.db2.gz DACFQEKEAMQCGG-GFCCVEGCSA-N 1 1 264.394 3.335 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001172494179 808353857 /nfs/dbraw/zinc/35/38/57/808353857.db2.gz RRBADMFGPOIHFB-KBPBESRZSA-N 1 1 295.427 3.058 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@H]1CC(=O)OC(C)(C)C ZINC001172499575 808355392 /nfs/dbraw/zinc/35/53/92/808355392.db2.gz YNHFFMFZQZMPLS-KBPBESRZSA-N 1 1 280.412 3.265 20 30 CGEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)CCCC[C@@H](C)CC)C1 ZINC001267104054 808356826 /nfs/dbraw/zinc/35/68/26/808356826.db2.gz LBOBUSTZXLOPPP-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@](C)(F)CCCC)C1 ZINC001267109264 808359231 /nfs/dbraw/zinc/35/92/31/808359231.db2.gz XDQRVHCLXSTGLU-DOTOQJQBSA-N 1 1 298.446 3.404 20 30 CGEDMO C[C@H](CCCC#N)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001172503160 808359357 /nfs/dbraw/zinc/35/93/57/808359357.db2.gz YGQAZLFOIIWADW-IAGOWNOFSA-N 1 1 285.435 3.448 20 30 CGEDMO COc1cc(C[N@@H+](C)[C@H](C)CCCC#N)cc(OC)c1 ZINC001172507538 808364010 /nfs/dbraw/zinc/36/40/10/808364010.db2.gz WFHUDEYGEINRLX-CYBMUJFWSA-N 1 1 276.380 3.218 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)C1(CF)CCC1 ZINC001267173490 808373379 /nfs/dbraw/zinc/37/33/79/808373379.db2.gz AAXRHWYXTGLFLP-HNNXBMFYSA-N 1 1 296.430 3.063 20 30 CGEDMO C=CC(C)(C)CC(=O)NCC[N@H+](C)CC1CCCCC1 ZINC001267197979 808379979 /nfs/dbraw/zinc/37/99/79/808379979.db2.gz ZJPGVCCAGDRBJG-UHFFFAOYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@H+](CC)CCNC(=O)[C@@]1(C)CCC[C@H]1CC ZINC001267245389 808395104 /nfs/dbraw/zinc/39/51/04/808395104.db2.gz GKRTWJDTVUZJIY-WBVHZDCISA-N 1 1 280.456 3.217 20 30 CGEDMO C#CCC[N@H+](CCCNC(=O)CC1(C)CCCC1)C(C)C ZINC001267257614 808399514 /nfs/dbraw/zinc/39/95/14/808399514.db2.gz NKRUMCKGNZTAIE-UHFFFAOYSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccsc1 ZINC001267270354 808400933 /nfs/dbraw/zinc/40/09/33/808400933.db2.gz SYKOFFPFPKSQCS-HNNXBMFYSA-N 1 1 292.448 3.185 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1CC[N@H+](CC/C=C/CC)C1 ZINC001267303360 808407856 /nfs/dbraw/zinc/40/78/56/808407856.db2.gz MABORJJZLSUXGO-WAVCKPEOSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CNC(=O)CCCC2CCCC2)C1 ZINC001267309118 808409929 /nfs/dbraw/zinc/40/99/29/808409929.db2.gz JBXDNWFPMARZTC-QGZVFWFLSA-N 1 1 292.467 3.361 20 30 CGEDMO CC1(C)CC([N@H+]2CCC[C@H](C#N)CC2)CC(C)(C)O1 ZINC001172658804 808411639 /nfs/dbraw/zinc/41/16/39/808411639.db2.gz CUGJCNWXZQGSOY-ZDUSSCGKSA-N 1 1 264.413 3.348 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)c1sc(C)cc1C ZINC001267314341 808411630 /nfs/dbraw/zinc/41/16/30/808411630.db2.gz NVUUFBYAJUDDBU-UHFFFAOYSA-N 1 1 294.464 3.383 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)[C@@H]1CCC[C@H](C)C1 ZINC001267317059 808413004 /nfs/dbraw/zinc/41/30/04/808413004.db2.gz MRLFPOITVPAZCU-JKSUJKDBSA-N 1 1 280.456 3.217 20 30 CGEDMO C#CCC[N@H+](CCCNC(=O)C1(C)CCCCC1)C(C)C ZINC001267320064 808414490 /nfs/dbraw/zinc/41/44/90/808414490.db2.gz WRROCGKAOLYXPP-UHFFFAOYSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)C[N@@H+](CCNC(=O)C=C1CCCCC1)C1CC1 ZINC001267322699 808416422 /nfs/dbraw/zinc/41/64/22/808416422.db2.gz LULQCLNMPBVYDG-UHFFFAOYSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)C(C)=C2CCC2)C1 ZINC001267459450 808429495 /nfs/dbraw/zinc/42/94/95/808429495.db2.gz JSJMDYIRJHOMDI-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)CC2(C)CC2)C1 ZINC001267476150 808430734 /nfs/dbraw/zinc/43/07/34/808430734.db2.gz VPMVOGMKZSQCAI-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)[C@H]1CCC[C@H](C)C1)C(C)C ZINC001267508132 808436928 /nfs/dbraw/zinc/43/69/28/808436928.db2.gz RSNLBLDPBKMHBJ-HOTGVXAUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001267532909 808440909 /nfs/dbraw/zinc/44/09/09/808440909.db2.gz MRBCJSNHCLAXHP-CALCHBBNSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)c2occc2C)C1 ZINC001267539703 808443229 /nfs/dbraw/zinc/44/32/29/808443229.db2.gz POEMMWCCOQSMML-HNNXBMFYSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)C/C=C(/C)C=C)C1 ZINC001267545859 808444631 /nfs/dbraw/zinc/44/46/31/808444631.db2.gz FUXLVGPTOTZGDU-VHEJECIDSA-N 1 1 290.451 3.398 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)/C=C(\C)C2CC2)C1 ZINC001267550884 808445958 /nfs/dbraw/zinc/44/59/58/808445958.db2.gz FZWHXGXVVPKJSB-ASNKMWSDSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC[C@H](C[N@H+](C)C[C@@H](C)CC)C2)C1 ZINC001267587763 808453108 /nfs/dbraw/zinc/45/31/08/808453108.db2.gz CMWVECYAQTVFOZ-GOEBONIOSA-N 1 1 292.467 3.169 20 30 CGEDMO CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)C(CC)(CC)CC)C1 ZINC001267592087 808453177 /nfs/dbraw/zinc/45/31/77/808453177.db2.gz NEHBPCKYZAPWSE-INIZCTEOSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(C)C[N@@H+](C)CC1CCN(C(=O)C[C@H]2C=CCC2)CC1 ZINC001267596949 808455651 /nfs/dbraw/zinc/45/56/51/808455651.db2.gz UYWWNRYKXCODOH-INIZCTEOSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C/C=C(/C)C=C)C1 ZINC001267618850 808459203 /nfs/dbraw/zinc/45/92/03/808459203.db2.gz TYMJQAONRCMBKK-DDITZMBXSA-N 1 1 276.424 3.056 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)/C(C)=C\CC ZINC001267704028 808473871 /nfs/dbraw/zinc/47/38/71/808473871.db2.gz CNUDFONJFBFHRQ-GNBKXHOFSA-N 1 1 290.451 3.374 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[N@H+](CC(CC)CC)C1 ZINC001267723862 808476466 /nfs/dbraw/zinc/47/64/66/808476466.db2.gz MWYCAESTZQUFES-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)CC2CCCC2)C1 ZINC001267730845 808478992 /nfs/dbraw/zinc/47/89/92/808478992.db2.gz CPAKQDKBSAIGER-SJORKVTESA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001267742889 808481611 /nfs/dbraw/zinc/48/16/11/808481611.db2.gz DCXHKWIJBHGZEQ-OAHLLOKOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001267746924 808483129 /nfs/dbraw/zinc/48/31/29/808483129.db2.gz CGOXVLWJLVHECK-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)C(C)C)C1 ZINC001267748899 808483305 /nfs/dbraw/zinc/48/33/05/808483305.db2.gz ADAYJOLCKSSFPY-JKSUJKDBSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)C2(F)CCCC2)C1 ZINC001267766764 808487289 /nfs/dbraw/zinc/48/72/89/808487289.db2.gz DXNHGHHTISGLJN-CABCVRRESA-N 1 1 296.430 3.156 20 30 CGEDMO C=CCC1(C(=O)N(C)[C@H]2CC[N@H+](C[C@H](C)CC)C2)CCC1 ZINC001267771431 808488106 /nfs/dbraw/zinc/48/81/06/808488106.db2.gz GLCFHQJIEMYESK-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2cocc2C)C1 ZINC001267771001 808488898 /nfs/dbraw/zinc/48/88/98/808488898.db2.gz WRVYGUDIZFPGHQ-CABCVRRESA-N 1 1 290.407 3.089 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)C[C@H](C)C2CC2)C1 ZINC001267794155 808493390 /nfs/dbraw/zinc/49/33/90/808493390.db2.gz MVGVREBHQOZDAX-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO CCCOC1CCC([N@H+]2CCC[C@H](CC#N)C2)CC1 ZINC001173099978 808509362 /nfs/dbraw/zinc/50/93/62/808509362.db2.gz YAJYTAWSKJOUIW-QQFBHYJXSA-N 1 1 264.413 3.350 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCc2ncsc2C1 ZINC001173143026 808525973 /nfs/dbraw/zinc/52/59/73/808525973.db2.gz YLIHDQYRHSKCPV-CQSZACIVSA-N 1 1 283.400 3.004 20 30 CGEDMO CCc1ccc(C[C@H](C)[N@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC001173246070 808553554 /nfs/dbraw/zinc/55/35/54/808553554.db2.gz KEBOAXNMOKMXAN-YOEHRIQHSA-N 1 1 256.393 3.416 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C=C(CC)CC)CC[C@H]21 ZINC001268261416 808572209 /nfs/dbraw/zinc/57/22/09/808572209.db2.gz DDZANIQVKHKUIG-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)/C(C)=C/CC)CC[C@@H]21 ZINC001268266536 808573074 /nfs/dbraw/zinc/57/30/74/808573074.db2.gz ZGKHKBOPVCLBQC-WZQKHZFYSA-N 1 1 290.451 3.232 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001268446290 808588345 /nfs/dbraw/zinc/58/83/45/808588345.db2.gz HCXREJRJOWHPIS-CRAIPNDOSA-N 1 1 292.467 3.338 20 30 CGEDMO C=CCOC1CCC([N@@H+](C)C[C@@H]2CC2(C)C)CC1 ZINC001173323721 808611129 /nfs/dbraw/zinc/61/11/29/808611129.db2.gz FPUAGZSXEFAJNH-NFOMZHRRSA-N 1 1 251.414 3.478 20 30 CGEDMO C=CCOC1CCC([N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC1 ZINC001173323017 808611439 /nfs/dbraw/zinc/61/14/39/808611439.db2.gz BDLXVVDXIAYXGN-RXURYVNASA-N 1 1 274.408 3.267 20 30 CGEDMO C=CCOC1CCC([N@@H+]2CCCC[C@@H]2COC)CC1 ZINC001173320292 808611745 /nfs/dbraw/zinc/61/17/45/808611745.db2.gz FDDULABFKCEDKZ-HWOWSKLDSA-N 1 1 267.413 3.001 20 30 CGEDMO C=CCOC1CCC([N@@H+](C)C[C@H]2CCCCO2)CC1 ZINC001173327517 808614762 /nfs/dbraw/zinc/61/47/62/808614762.db2.gz NIHCNNIFSDDOBB-UYSNPLJNSA-N 1 1 267.413 3.001 20 30 CGEDMO COC(=O)c1ccc2c(c1)C[N@@H+](C1CCC(CC#N)CC1)C2 ZINC001173336501 808617024 /nfs/dbraw/zinc/61/70/24/808617024.db2.gz BJNCGHCFTFJKRN-UHFFFAOYSA-N 1 1 298.386 3.261 20 30 CGEDMO N#CCC1CCC([N@H+]2CC[C@H](Oc3ccccn3)C2)CC1 ZINC001173336696 808617096 /nfs/dbraw/zinc/61/70/96/808617096.db2.gz IXFGCADBNGLZSJ-GPANFISMSA-N 1 1 285.391 3.007 20 30 CGEDMO N#CCC1CCC([N@@H+]2CCc3cc(O)ccc3C2)CC1 ZINC001173336121 808617873 /nfs/dbraw/zinc/61/78/73/808617873.db2.gz OLDSVAFBNOUDJL-UHFFFAOYSA-N 1 1 270.376 3.223 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001268745538 808621083 /nfs/dbraw/zinc/62/10/83/808621083.db2.gz JNFZHXVQOGNRMD-BZUAXINKSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCCC1 ZINC001268965458 808639258 /nfs/dbraw/zinc/63/92/58/808639258.db2.gz PUPDUXDCTKTYNZ-IRXDYDNUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[N@H+](CCCCCC)C1 ZINC001269029962 808643214 /nfs/dbraw/zinc/64/32/14/808643214.db2.gz VAAALIVECBDHAG-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CC[C@]3(C2)CCCCO3)CC1 ZINC001173592808 808648893 /nfs/dbraw/zinc/64/88/93/808648893.db2.gz BEMKFAHGCQXOHE-GPANFISMSA-N 1 1 262.397 3.104 20 30 CGEDMO CC1(C#N)CCC([NH+]2CC(Oc3ccccc3C#N)C2)CC1 ZINC001173596786 808649657 /nfs/dbraw/zinc/64/96/57/808649657.db2.gz CWIXTSLOEAUXJG-UHFFFAOYSA-N 1 1 295.386 3.094 20 30 CGEDMO CC1(C#N)CCC([NH+]2CC(Oc3ccccc3F)C2)CC1 ZINC001173597761 808651099 /nfs/dbraw/zinc/65/10/99/808651099.db2.gz IEOPDIQVDVRGDD-UHFFFAOYSA-N 1 1 288.366 3.361 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CCC[C@@H]2c2cnccn2)CC1 ZINC001173599699 808651196 /nfs/dbraw/zinc/65/11/96/808651196.db2.gz OKXJYPNQUIZTFB-OGVSOVDVSA-N 1 1 270.380 3.086 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@H]1CNC(=O)c1cccs1 ZINC001269194336 808652843 /nfs/dbraw/zinc/65/28/43/808652843.db2.gz GYIXUJJRXSTWSK-CQSZACIVSA-N 1 1 292.448 3.299 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CCCCC(C)C)C1 ZINC001269182012 808653266 /nfs/dbraw/zinc/65/32/66/808653266.db2.gz BRCGSOMNEMSMMD-MRXNPFEDSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)C=C1CCCCC1 ZINC001269204078 808654316 /nfs/dbraw/zinc/65/43/16/808654316.db2.gz AIBBHQMFIPIFAM-RDJZCZTQSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)CCCC)C1 ZINC001269235460 808659942 /nfs/dbraw/zinc/65/99/42/808659942.db2.gz XQWLYNGCRJPFOE-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H]2CC[N@@H+]2[C@H](C)c2ccccc2)C1 ZINC001269291449 808664904 /nfs/dbraw/zinc/66/49/04/808664904.db2.gz JGHGRNZHTQVURP-WBVHZDCISA-N 1 1 298.430 3.294 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](N(CC)C(=O)CCC)C1 ZINC001269301905 808665764 /nfs/dbraw/zinc/66/57/64/808665764.db2.gz NZEZDEXRZRLOPI-CABCVRRESA-N 1 1 266.429 3.064 20 30 CGEDMO C#CC[N@H+](CCNC(=O)/C=C(/C)CC)C1CCCCCC1 ZINC001269605184 808691105 /nfs/dbraw/zinc/69/11/05/808691105.db2.gz NMQPJEQIJZKKIR-NXVVXOECSA-N 1 1 290.451 3.117 20 30 CGEDMO C=CCC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC ZINC001269675804 808696211 /nfs/dbraw/zinc/69/62/11/808696211.db2.gz ILECSGWZBCANRV-GASCZTMLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)CCCF)C2)C1 ZINC001269692451 808697965 /nfs/dbraw/zinc/69/79/65/808697965.db2.gz LINUZZZWSQRMGK-KRWDZBQOSA-N 1 1 296.430 3.017 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)CCCCC)C2)C1 ZINC001269720924 808701517 /nfs/dbraw/zinc/70/15/17/808701517.db2.gz ZVRVWHNJMDSFEZ-SFHVURJKSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)C[C@@H](C)CCCCC)C1 ZINC001270631911 808740393 /nfs/dbraw/zinc/74/03/93/808740393.db2.gz GWTZJBJYCRRLSQ-DOTOQJQBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)CC(C)(C)C=C)C1 ZINC001270965180 808756338 /nfs/dbraw/zinc/75/63/38/808756338.db2.gz BRFSATSYYSXGGD-GOSISDBHSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@@H](CC)C(C)C ZINC001272042698 808794965 /nfs/dbraw/zinc/79/49/65/808794965.db2.gz IGXPRPFDUKSYOY-BRWVUGGUSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCN1c2ccccc2[C@@]2(CC[N@H+](C[C@@H](C)CC)C2)C1=O ZINC001272420244 808806967 /nfs/dbraw/zinc/80/69/67/808806967.db2.gz JYJUZDWAXRAAKD-KXBFYZLASA-N 1 1 298.430 3.209 20 30 CGEDMO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccccc1C ZINC001272639310 808818026 /nfs/dbraw/zinc/81/80/26/808818026.db2.gz TYRGJACHJYCIFN-IBGZPJMESA-N 1 1 298.430 3.138 20 30 CGEDMO C=CCCCCC[N@H+]1CCCC[C@]12CC(=O)N(CC=C)C2 ZINC001272700395 808821317 /nfs/dbraw/zinc/82/13/17/808821317.db2.gz WPMQUYADBFLRDK-GOSISDBHSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@]2(CCN([C@H](C)CC)C2=O)C1 ZINC001272699900 808822120 /nfs/dbraw/zinc/82/21/20/808822120.db2.gz PGQWTYUZAKELPB-SJLPKXTDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CC[C@]2(CCN(C)C2=O)C1 ZINC001272711522 808822618 /nfs/dbraw/zinc/82/26/18/808822618.db2.gz FKAJDIREIXCYSA-QGZVFWFLSA-N 1 1 278.440 3.067 20 30 CGEDMO COc1ccc(Nc2cc[nH+]c3ccccc23)cc1C#N ZINC001174038226 808835535 /nfs/dbraw/zinc/83/55/35/808835535.db2.gz KEVWTBMBWGMJKX-UHFFFAOYSA-N 1 1 275.311 3.281 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](CC)C(C)C)CC1 ZINC001273464353 808846162 /nfs/dbraw/zinc/84/61/62/808846162.db2.gz BPTFCULNHWPCDX-DLBZAZTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)[C@H]1C[C@@H]1C(C)C ZINC001273577636 808855444 /nfs/dbraw/zinc/85/54/44/808855444.db2.gz DBPVKDICJCQSPF-CVEARBPZSA-N 1 1 280.456 3.025 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)C2CC2)C(C)(C)C1 ZINC001274426143 808875835 /nfs/dbraw/zinc/87/58/35/808875835.db2.gz QXDQKZOOQCHGIL-GOEBONIOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCCC)C[C@H]1C ZINC001274596603 808877963 /nfs/dbraw/zinc/87/79/63/808877963.db2.gz JWSOYIQDANPJSP-CABCVRRESA-N 1 1 266.429 3.112 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](NC(=O)CCCCC(C)(C)C)C[C@H]1C ZINC001274623886 808879274 /nfs/dbraw/zinc/87/92/74/808879274.db2.gz NTAINPUYGXYKGB-CVEARBPZSA-N 1 1 292.467 3.195 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]2CN(Cc3ccc[nH]3)C[C@H]21 ZINC001275130829 808914495 /nfs/dbraw/zinc/91/44/95/808914495.db2.gz IHRBIZGFALWAIM-FUHWJXTLSA-N 1 1 289.467 3.491 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]1C[N@@H+](C)CC(C)C ZINC001275144013 808915080 /nfs/dbraw/zinc/91/50/80/808915080.db2.gz SRMAGFBZGHAOBD-RDJZCZTQSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](CCC)C(C)C ZINC001275150652 808916816 /nfs/dbraw/zinc/91/68/16/808916816.db2.gz KYXHGNKBGQQEIM-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](CC)CC(C)C ZINC001275160509 808918620 /nfs/dbraw/zinc/91/86/20/808918620.db2.gz NKOJPXDPTWFKRQ-IRXDYDNUSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)c1cccc(C)c1 ZINC001275496121 808940693 /nfs/dbraw/zinc/94/06/93/808940693.db2.gz GXDMVDPHQSMYJY-OAHLLOKOSA-N 1 1 274.408 3.011 20 30 CGEDMO CCC/C=C\CC[N@@H+](C)C[C@@H](C)NC(=O)C#CC(C)(C)C ZINC001275550801 808947836 /nfs/dbraw/zinc/94/78/36/808947836.db2.gz BCYKLRHXTYHPTG-ZBTGYSDGSA-N 1 1 292.467 3.219 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)[C@H](C)CCC(C)(C)C ZINC001275699014 808958114 /nfs/dbraw/zinc/95/81/14/808958114.db2.gz VEXIOHIBXKJEDV-CABCVRRESA-N 1 1 282.472 3.461 20 30 CGEDMO C#CC[N@H+](C)C[C@@H](C)NC(=O)CC(C)(C)C1CCCCC1 ZINC001275698984 808958515 /nfs/dbraw/zinc/95/85/15/808958515.db2.gz VBVGOUBEHKOPPP-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CC[N@H+](C)C[C@H](C)NC(=O)CC(C)(C)C1CCCCC1 ZINC001275698982 808958827 /nfs/dbraw/zinc/95/88/27/808958827.db2.gz VBVGOUBEHKOPPP-HNNXBMFYSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)c1c(C)oc(C)c1C ZINC001275873449 808973176 /nfs/dbraw/zinc/97/31/76/808973176.db2.gz KSHWJLCPABUZCV-GFCCVEGCSA-N 1 1 292.423 3.221 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001275886799 808974618 /nfs/dbraw/zinc/97/46/18/808974618.db2.gz GFRAHEDDFSRYJR-WCXIOVBPSA-N 1 1 292.467 3.215 20 30 CGEDMO C#Cc1cccc(CN2CC3(C2)CC[N@H+](C2CCCC2)C3)c1 ZINC001276097103 808987474 /nfs/dbraw/zinc/98/74/74/808987474.db2.gz RJQNZWDLCXYAMY-UHFFFAOYSA-N 1 1 294.442 3.118 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)/C(C)=C/CC ZINC001276288230 808999473 /nfs/dbraw/zinc/99/94/73/808999473.db2.gz AVHWBDVRVBPSMU-XETPBLJFSA-N 1 1 298.858 3.456 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)/C(C)=C/CC ZINC001276288230 808999480 /nfs/dbraw/zinc/99/94/80/808999480.db2.gz AVHWBDVRVBPSMU-XETPBLJFSA-N 1 1 298.858 3.456 20 30 CGEDMO C=CCCCC(=O)NC[C@@H]1CCCCC[N@@H+]1C/C=C/Cl ZINC001276319290 809000787 /nfs/dbraw/zinc/00/07/87/809000787.db2.gz JSMLOYOVYBJMBF-SHQCLWGWSA-N 1 1 298.858 3.456 20 30 CGEDMO C=CCCCC(=O)NC[C@H]1CCCCC[N@@H+]1C/C=C\Cl ZINC001276319286 809001000 /nfs/dbraw/zinc/00/10/00/809001000.db2.gz JSMLOYOVYBJMBF-MEODZPNASA-N 1 1 298.858 3.456 20 30 CGEDMO N#Cc1ccc(Nc2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC001174445644 809017432 /nfs/dbraw/zinc/01/74/32/809017432.db2.gz NKJQIEHBRWRSHQ-UHFFFAOYSA-N 1 1 299.399 3.196 20 30 CGEDMO C#CCCCCCC(=O)N[C@H]1C[N@H+](CC(C)C)CC1(C)C ZINC001276600242 809018120 /nfs/dbraw/zinc/01/81/20/809018120.db2.gz ADHPJCPATYTAMS-INIZCTEOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1C[N@H+](CCC(C)C)CC1(C)C ZINC001276587241 809019045 /nfs/dbraw/zinc/01/90/45/809019045.db2.gz ZEIUBVUQSSZMSN-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC(C)C)C[C@@H]2C1 ZINC001276838664 809036353 /nfs/dbraw/zinc/03/63/53/809036353.db2.gz BAIGSHAIMPIUMV-YESZJQIVSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CCCC2(CN(C(=O)CC(C)=C(C)C)C2)C1 ZINC001276870373 809040166 /nfs/dbraw/zinc/04/01/66/809040166.db2.gz TZLDSQZQKHFSAB-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1CC[N@H+]1CCCC1CCC1 ZINC001276931967 809047211 /nfs/dbraw/zinc/04/72/11/809047211.db2.gz OVUYRONCZXHGAH-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO N#Cc1cc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCCC2)ccc1F ZINC001277035748 809055825 /nfs/dbraw/zinc/05/58/25/809055825.db2.gz SEGTWNFMFOIEJD-CALCHBBNSA-N 1 1 299.393 3.293 20 30 CGEDMO CCc1cc(C#N)ccc1CN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC001277234369 809065845 /nfs/dbraw/zinc/06/58/45/809065845.db2.gz YXMMLVBPZLCIOI-LJQANCHMSA-N 1 1 297.446 3.038 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@@H]1[C@H]1CC[N@H+](CCC)C1 ZINC001277283818 809067810 /nfs/dbraw/zinc/06/78/10/809067810.db2.gz HERGOCNNZDDTRV-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC1(C)CC1 ZINC001277359222 809071023 /nfs/dbraw/zinc/07/10/23/809071023.db2.gz BEEUDMUHUKMTFU-CVEARBPZSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)CC[N@H+](C)C1CCN(C(=O)c2coc(C)c2)CC1 ZINC001277392103 809072584 /nfs/dbraw/zinc/07/25/84/809072584.db2.gz URRJVTXQQLBWIL-UHFFFAOYSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](C(=O)N(C)C)[C@@H]1c1ccccc1 ZINC001277779907 809095901 /nfs/dbraw/zinc/09/59/01/809095901.db2.gz WABJJGUXQASHOS-SJORKVTESA-N 1 1 286.419 3.104 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](C)c2cccs2)C1 ZINC001278427475 809132007 /nfs/dbraw/zinc/13/20/07/809132007.db2.gz UYAVADBZEPIDIO-BBRMVZONSA-N 1 1 292.448 3.008 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2ccsc2)[C@H]1C ZINC001278492352 809137965 /nfs/dbraw/zinc/13/79/65/809137965.db2.gz DFMFTCDYVKYLIN-HIFRSBDPSA-N 1 1 292.448 3.297 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C2(F)CCCC2)[C@H]1C ZINC001278516343 809139481 /nfs/dbraw/zinc/13/94/81/809139481.db2.gz RBFURTTVDZDCKQ-HUUCEWRRSA-N 1 1 296.430 3.204 20 30 CGEDMO C=CC[N@@H+]1CCC[C@](C)(CNC(=O)CC2CCCCC2)C1 ZINC001278642246 809148485 /nfs/dbraw/zinc/14/84/85/809148485.db2.gz XLHXUISZIWYIAL-GOSISDBHSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)CCN(C(=O)C1CCC1)C(C)C ZINC001278888908 809154063 /nfs/dbraw/zinc/15/40/63/809154063.db2.gz IGDGWWWUHRYJHP-HNNXBMFYSA-N 1 1 280.456 3.310 20 30 CGEDMO CC#CC[N@@H+](C)CCN(C(=O)C=C1CCCCC1)C(C)C ZINC001278894638 809154324 /nfs/dbraw/zinc/15/43/24/809154324.db2.gz WXBUJBBHKHRSLV-UHFFFAOYSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@H](CC)CCCC)C[C@H]2C1 ZINC001279339892 809170872 /nfs/dbraw/zinc/17/08/72/809170872.db2.gz QNNUDEJGWSBSQL-ZACQAIPSSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](CCC)C(C)C)C[C@H]2C1 ZINC001279394993 809172325 /nfs/dbraw/zinc/17/23/25/809172325.db2.gz BFIIHGYOINYWJP-BBWFWOEESA-N 1 1 292.467 3.025 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CC(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC001174891815 809193061 /nfs/dbraw/zinc/19/30/61/809193061.db2.gz XCKAGYVQYJADHP-NSHDSACASA-N 1 1 296.773 3.316 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)F)CC1 ZINC001280691090 809196669 /nfs/dbraw/zinc/19/66/69/809196669.db2.gz IGMOBZFMBLVRMZ-OAHLLOKOSA-N 1 1 298.446 3.452 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)CCC1CCC1 ZINC001280801932 809200709 /nfs/dbraw/zinc/20/07/09/809200709.db2.gz BTLXFZVDNNWPTR-UHFFFAOYSA-N 1 1 286.847 3.100 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCN(C)C(=O)CCC1CCC1 ZINC001280801932 809200713 /nfs/dbraw/zinc/20/07/13/809200713.db2.gz BTLXFZVDNNWPTR-UHFFFAOYSA-N 1 1 286.847 3.100 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)c1ccccc1Cl ZINC001280880121 809203169 /nfs/dbraw/zinc/20/31/69/809203169.db2.gz DVVKCFSXFRVBCH-UHFFFAOYSA-N 1 1 294.826 3.310 20 30 CGEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)[C@@H](C)CCC)cc2C1 ZINC001281292379 809208606 /nfs/dbraw/zinc/20/86/06/809208606.db2.gz CYIAYMJYBIMEQM-AWEZNQCLSA-N 1 1 286.419 3.241 20 30 CGEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H](C)CCC)cc2C1 ZINC001281292379 809208613 /nfs/dbraw/zinc/20/86/13/809208613.db2.gz CYIAYMJYBIMEQM-AWEZNQCLSA-N 1 1 286.419 3.241 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)F)C[C@@H]1C ZINC001281645655 809216503 /nfs/dbraw/zinc/21/65/03/809216503.db2.gz ZVKTYVJWTJCLCP-LSDHHAIUSA-N 1 1 298.446 3.450 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CSC(C)C)C[C@@H]1C ZINC001281653151 809217017 /nfs/dbraw/zinc/21/70/17/809217017.db2.gz RGRKLHDAXNSDEV-LSDHHAIUSA-N 1 1 298.496 3.063 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C)C(C)C ZINC001281955393 809225407 /nfs/dbraw/zinc/22/54/07/809225407.db2.gz MPAZYWZZDOPXTB-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@](C)(C=C)CC ZINC001281956692 809226780 /nfs/dbraw/zinc/22/67/80/809226780.db2.gz JNJODMDXCZRYHC-AEFFLSMTSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCCC(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(CC)cc1 ZINC001282365348 809245088 /nfs/dbraw/zinc/24/50/88/809245088.db2.gz VTGZDQVKFWCOCC-OAHLLOKOSA-N 1 1 288.435 3.152 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@H](C)[N@H+](C)CCC(C)C ZINC001282442572 809246154 /nfs/dbraw/zinc/24/61/54/809246154.db2.gz CCYRSDBHMYWTEP-AWEZNQCLSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)C1(F)CCCC1 ZINC001282666895 809257725 /nfs/dbraw/zinc/25/77/25/809257725.db2.gz UHTJSGXMRHVBJR-HNNXBMFYSA-N 1 1 296.430 3.206 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)C[C@H](C)CC)C(C)(C)C1 ZINC001282801186 809263674 /nfs/dbraw/zinc/26/36/74/809263674.db2.gz SHTJWVKCKDYGEY-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)[C@@H](C)CCC)CC1 ZINC001283296689 809275075 /nfs/dbraw/zinc/27/50/75/809275075.db2.gz NQCAKZCJOPAXDR-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)[C@@H]2CC[C@H](C)C2)CC1 ZINC001283332194 809276587 /nfs/dbraw/zinc/27/65/87/809276587.db2.gz SARMJRODIZKATR-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@H+]1CC[C@]2(NC(=O)CCCC)CCC[C@@H]12 ZINC001284032114 809293562 /nfs/dbraw/zinc/29/35/62/809293562.db2.gz SZXQVGWMQOOPBH-NVXWUHKLSA-N 1 1 278.440 3.256 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@]2(NC(=O)CCCC)CCC[C@@H]12 ZINC001284032116 809294386 /nfs/dbraw/zinc/29/43/86/809294386.db2.gz SZXQVGWMQOOPBH-WBVHZDCISA-N 1 1 278.440 3.256 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)/C=C(\C)C2CC2)[C@H]1C ZINC001284121014 809296535 /nfs/dbraw/zinc/29/65/35/809296535.db2.gz OSDVZKZTOKAPJZ-KJYXCJCISA-N 1 1 290.451 3.278 20 30 CGEDMO C[N@H+]1CCC=C(Nc2ccc(C#N)cc2OC(F)(F)F)C1 ZINC001175575853 809457374 /nfs/dbraw/zinc/45/73/74/809457374.db2.gz CGCKXCMVUUZGIV-UHFFFAOYSA-N 1 1 297.280 3.088 20 30 CGEDMO CC(C)c1ccc(NC2=CCC[N@@H+](C)C2)c(C#N)c1 ZINC001175580374 809461446 /nfs/dbraw/zinc/46/14/46/809461446.db2.gz ZKPVCJJXHTTXSV-UHFFFAOYSA-N 1 1 255.365 3.313 20 30 CGEDMO FC[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001175732622 809521406 /nfs/dbraw/zinc/52/14/06/809521406.db2.gz GOZPAMRPLZSGAY-CQSZACIVSA-N 1 1 265.759 3.373 20 30 CGEDMO CC(C)c1cccc([NH+]=C(NO)c2ccccc2N)c1 ZINC001175778561 809541047 /nfs/dbraw/zinc/54/10/47/809541047.db2.gz HYNOLELVILGAPQ-UHFFFAOYSA-N 1 1 269.348 3.449 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(-n2ccnc2)cc1)C(C)(C)C ZINC001176281751 809659007 /nfs/dbraw/zinc/65/90/07/809659007.db2.gz PJEGTJGIWWKUET-UHFFFAOYSA-N 1 1 267.376 3.106 20 30 CGEDMO C[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)[C@H](C)CCO1 ZINC001176970675 809772230 /nfs/dbraw/zinc/77/22/30/809772230.db2.gz BDKAPHABHIIGJC-ZIAGYGMSSA-N 1 1 277.795 3.191 20 30 CGEDMO CCc1ccc2c(c1)C[N@@H+](Cc1cncc(C#N)c1)CC2 ZINC001177033258 809775617 /nfs/dbraw/zinc/77/56/17/809775617.db2.gz AEJXUAAEFOFACJ-UHFFFAOYSA-N 1 1 277.371 3.074 20 30 CGEDMO CCc1ccc2c(c1)C[N@H+](Cc1cncc(C#N)c1)CC2 ZINC001177033258 809775621 /nfs/dbraw/zinc/77/56/21/809775621.db2.gz AEJXUAAEFOFACJ-UHFFFAOYSA-N 1 1 277.371 3.074 20 30 CGEDMO CCNc1ccccc1C[N@H+](CCC#N)CC1CC1 ZINC001180030839 809968805 /nfs/dbraw/zinc/96/88/05/809968805.db2.gz QRRXVMXHAVSBNL-UHFFFAOYSA-N 1 1 257.381 3.244 20 30 CGEDMO CCNc1ccccc1C[N@@H+](CCC#N)CC1CC1 ZINC001180030839 809968808 /nfs/dbraw/zinc/96/88/08/809968808.db2.gz QRRXVMXHAVSBNL-UHFFFAOYSA-N 1 1 257.381 3.244 20 30 CGEDMO C#CC[NH+](CC#C)Cc1ccc(C)c(Br)c1C ZINC001180120133 809976351 /nfs/dbraw/zinc/97/63/51/809976351.db2.gz DEGRSLXKUWTYOX-UHFFFAOYSA-N 1 1 290.204 3.134 20 30 CGEDMO C[C@@H](C#N)C[N@H+](C)[C@H](C)c1nccc2ccccc21 ZINC001180239539 809985769 /nfs/dbraw/zinc/98/57/69/809985769.db2.gz MHATZSVLWVGUGO-QWHCGFSZSA-N 1 1 253.349 3.387 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C)[C@H](C)c1nccc2ccccc21 ZINC001180239539 809985772 /nfs/dbraw/zinc/98/57/72/809985772.db2.gz MHATZSVLWVGUGO-QWHCGFSZSA-N 1 1 253.349 3.387 20 30 CGEDMO Cc1csc2nc(C)c(C[N@@H+]3CCC[C@H](CC#N)C3)n12 ZINC001182854118 810127425 /nfs/dbraw/zinc/12/74/25/810127425.db2.gz FTGBNGGKTOHWAR-CYBMUJFWSA-N 1 1 288.420 3.138 20 30 CGEDMO Cc1csc2nc(C)c(C[N@H+]3CCC[C@H](CC#N)C3)n12 ZINC001182854118 810127426 /nfs/dbraw/zinc/12/74/26/810127426.db2.gz FTGBNGGKTOHWAR-CYBMUJFWSA-N 1 1 288.420 3.138 20 30 CGEDMO C=C(C)C[C@H]([NH2+]C1CCC2(CCC2)CC1)C(=O)OC ZINC001183324501 810144845 /nfs/dbraw/zinc/14/48/45/810144845.db2.gz OQZCMFGZHSBSNP-AWEZNQCLSA-N 1 1 265.397 3.197 20 30 CGEDMO C=C(C)C[C@@H]([NH2+]C1CCC(C)CC1)C(=O)OCC ZINC001183551352 810152220 /nfs/dbraw/zinc/15/22/20/810152220.db2.gz PWAYXGVPFQCFFQ-JXQTWKCFSA-N 1 1 253.386 3.053 20 30 CGEDMO C=CCCC(=O)N1CCC([C@H]2CCC[N@H+](CC)CC2)CC1 ZINC001186591515 810348027 /nfs/dbraw/zinc/34/80/27/810348027.db2.gz ZZBJALGGJSAWLM-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCCC)[C@@H]2C1 ZINC001186885778 810370754 /nfs/dbraw/zinc/37/07/54/810370754.db2.gz RWWHUOJTVMDQTO-OWCLPIDISA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)/C=C(/C)CC)[C@@H]2C1 ZINC001187811796 810426551 /nfs/dbraw/zinc/42/65/51/810426551.db2.gz FNZRIHIRDAVVRU-NFNJJIHZSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC001188592927 810491262 /nfs/dbraw/zinc/49/12/62/810491262.db2.gz PAILDBGVUIZSMJ-ZBFHGGJFSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]2C[N@H+](CCCCC)C[C@H]21 ZINC001189006942 810533397 /nfs/dbraw/zinc/53/33/97/810533397.db2.gz NLSRGRPTPFVHMK-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)C2CCCCCC2)C1 ZINC001189280488 810553722 /nfs/dbraw/zinc/55/37/22/810553722.db2.gz SPZXEFDWVIERGB-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C[C@H](C)C(C)C)C1 ZINC001189327508 810558796 /nfs/dbraw/zinc/55/87/96/810558796.db2.gz NKMDSGMNYBNGST-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)CCCC(C)(C)C)C1 ZINC001189389787 810566720 /nfs/dbraw/zinc/56/67/20/810566720.db2.gz LUTBIPYAOOANCP-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)CCC)[C@@H]2C1 ZINC001189568521 810580157 /nfs/dbraw/zinc/58/01/57/810580157.db2.gz HEDRIZFARYEAFD-QLFBSQMISA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)CCC)[C@@H]2C1 ZINC001189568521 810580160 /nfs/dbraw/zinc/58/01/60/810580160.db2.gz HEDRIZFARYEAFD-QLFBSQMISA-N 1 1 298.858 3.098 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C(F)=C2CCCC2)C1 ZINC001189640764 810583694 /nfs/dbraw/zinc/58/36/94/810583694.db2.gz CEKGVCWFXACPEP-OAHLLOKOSA-N 1 1 294.414 3.283 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C(F)=C2CCCC2)C1 ZINC001189640762 810584441 /nfs/dbraw/zinc/58/44/41/810584441.db2.gz CEKGVCWFXACPEP-HNNXBMFYSA-N 1 1 294.414 3.283 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)c2ccoc2Cl)C1 ZINC001189866400 810591652 /nfs/dbraw/zinc/59/16/52/810591652.db2.gz LCOZWZSLTZNVBP-LBPRGKRZSA-N 1 1 296.798 3.046 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C2CC(C)(C)C2)C1 ZINC001189944732 810596893 /nfs/dbraw/zinc/59/68/93/810596893.db2.gz SJTSYCZGCQPYMA-GOEBONIOSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)/C=C(/C)CC)C1 ZINC001190035142 810604985 /nfs/dbraw/zinc/60/49/85/810604985.db2.gz BNNUOTUFNZGMHR-GBDTVTBQSA-N 1 1 278.440 3.230 20 30 CGEDMO C=CC[N@H+](CC[C@@H](O)C(C)C)Cc1ccc(OC)cc1 ZINC001190457449 810628701 /nfs/dbraw/zinc/62/87/01/810628701.db2.gz LZOWJOWFOYLFGB-QGZVFWFLSA-N 1 1 277.408 3.090 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@@H]([N@H+](C)CC/C=C\CC)C1 ZINC001190428625 810629056 /nfs/dbraw/zinc/62/90/56/810629056.db2.gz MNUMGVDJBPKSFR-MWWKQMNYSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C2(C3CC3)CC2)C1 ZINC001190816394 810650923 /nfs/dbraw/zinc/65/09/23/810650923.db2.gz CTKQFBSRTARGJN-ZBFHGGJFSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@](C)(F)CCCC)C1 ZINC001191039935 810665810 /nfs/dbraw/zinc/66/58/10/810665810.db2.gz HIFOEGKGERJOOG-NVXWUHKLSA-N 1 1 298.446 3.404 20 30 CGEDMO CCCCCCCCNC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC001191074201 810670519 /nfs/dbraw/zinc/67/05/19/810670519.db2.gz LCGJFZSFOCBJLF-MRXNPFEDSA-N 1 1 297.487 3.378 20 30 CGEDMO CCCCCCCNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC001191123634 810679521 /nfs/dbraw/zinc/67/95/21/810679521.db2.gz RUPNWLFOWPEAJO-OAHLLOKOSA-N 1 1 295.471 3.273 20 30 CGEDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)CC2CCC(C#N)CC2)C1(C)C ZINC001191201993 810688507 /nfs/dbraw/zinc/68/85/07/810688507.db2.gz CRQYIAIJVGGTEB-BOXZVXIZSA-N 1 1 278.440 3.452 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](CC)C2)cc1 ZINC001191409896 810711187 /nfs/dbraw/zinc/71/11/87/810711187.db2.gz XOFMJCGKGLURQA-MRXNPFEDSA-N 1 1 284.403 3.119 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C2CC3(CCC3)C2)C1 ZINC001191838989 810749815 /nfs/dbraw/zinc/74/98/15/810749815.db2.gz NCZRSTJRLCZFHJ-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]([N@H+](C)CCCCC)C1 ZINC001191911447 810755920 /nfs/dbraw/zinc/75/59/20/810755920.db2.gz GCQUNMGOUOKKEJ-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]([N@H+](C)[C@H](C)CCC=C)C1 ZINC001192093209 810768002 /nfs/dbraw/zinc/76/80/02/810768002.db2.gz HUYCOXGKUSXMFM-CVEARBPZSA-N 1 1 278.440 3.230 20 30 CGEDMO C=C1CCC(C(=O)N2CC[C@@H]([N@@H+](C)C/C=C\Cl)C2)CC1 ZINC001192181979 810774329 /nfs/dbraw/zinc/77/43/29/810774329.db2.gz ZYKKBZIBAJGMDN-ACRUDFBXSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@H]([N@H+](C)C[C@@H](C)CC)C2)CCC1 ZINC001192217826 810777761 /nfs/dbraw/zinc/77/77/61/810777761.db2.gz KNTQAUBDUPMIDZ-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)CCCC)C2)CCC1 ZINC001192227325 810778355 /nfs/dbraw/zinc/77/83/55/810778355.db2.gz QBBMEYXGFVTCOZ-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)CCC)C1 ZINC001193113266 810857741 /nfs/dbraw/zinc/85/77/41/810857741.db2.gz ZWLIUKWVFGQKNY-UONOGXRCSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)CCC)C1 ZINC001193113266 810857747 /nfs/dbraw/zinc/85/77/47/810857747.db2.gz ZWLIUKWVFGQKNY-UONOGXRCSA-N 1 1 286.847 3.098 20 30 CGEDMO C=CC[C@H]([NH2+][C@H](CCCC)C1CCC1)C(=O)OC ZINC001193240551 810865444 /nfs/dbraw/zinc/86/54/44/810865444.db2.gz URSFNADGTJKXLH-KGLIPLIRSA-N 1 1 253.386 3.053 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC23CCCC3)C1 ZINC001193279959 810867219 /nfs/dbraw/zinc/86/72/19/810867219.db2.gz RUQCGIZWHHNWMC-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)CCC2(C)CC2)C1 ZINC001193257298 810867938 /nfs/dbraw/zinc/86/79/38/810867938.db2.gz JQJGTUGKVXSHNP-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO CC[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1ccncc1C#N ZINC001193459106 810891127 /nfs/dbraw/zinc/89/11/27/810891127.db2.gz APMDNXMXILITDE-CZUORRHYSA-N 1 1 257.381 3.354 20 30 CGEDMO C#CCC[N@H+](C)[C@H]1CCN(C(=O)CCCCCCCC)C1 ZINC001193631495 810922724 /nfs/dbraw/zinc/92/27/24/810922724.db2.gz XRKMMDBVKBZGBN-KRWDZBQOSA-N 1 1 292.467 3.293 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)C(C)(C)C)C1 ZINC001193713166 810939932 /nfs/dbraw/zinc/93/99/32/810939932.db2.gz JEYBJBZPSJMNBC-LSDHHAIUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)CCCCCC)C1 ZINC001193855482 810969561 /nfs/dbraw/zinc/96/95/61/810969561.db2.gz NWBFSVHIYWPVNT-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCC[C@H]1C(=O)OC ZINC001193943491 810981742 /nfs/dbraw/zinc/98/17/42/810981742.db2.gz ZZGNPUYNPOPUQI-RBSFLKMASA-N 1 1 265.397 3.006 20 30 CGEDMO CCCCCCCOC(=O)N[C@@H]1CC[N@H+](C(C)C)C1 ZINC001194013363 811000783 /nfs/dbraw/zinc/00/07/83/811000783.db2.gz WKUBHPHQKMRQEZ-CQSZACIVSA-N 1 1 270.417 3.166 20 30 CGEDMO C#CC[N@@H+](CCOCc1ccccc1)Cc1ccccc1 ZINC001194165700 811024645 /nfs/dbraw/zinc/02/46/45/811024645.db2.gz UPQYBAGFXXIPAH-UHFFFAOYSA-N 1 1 279.383 3.339 20 30 CGEDMO CC#CC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)CC(C)(C)C)C1 ZINC001194191351 811032201 /nfs/dbraw/zinc/03/22/01/811032201.db2.gz KMFGYKILTANFSW-HNNXBMFYSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCN(C(=O)[C@H](C)CC)CC1 ZINC001194869608 811158823 /nfs/dbraw/zinc/15/88/23/811158823.db2.gz VZHVKKRKHFKCFI-MRXNPFEDSA-N 1 1 280.456 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)CCCCC)CC1 ZINC001194876251 811161407 /nfs/dbraw/zinc/16/14/07/811161407.db2.gz NYHVZHOCHYVUPF-UHFFFAOYSA-N 1 1 266.429 3.067 20 30 CGEDMO CCCCCCCCC[N@@H+]1CCN(C(=O)CC)C1 ZINC001195342476 811244845 /nfs/dbraw/zinc/24/48/45/811244845.db2.gz PUEQRPVQRNHMFM-UHFFFAOYSA-N 1 1 254.418 3.249 20 30 CGEDMO CCCCCCCCC[N@H+]1CCN(C(=O)CC)C1 ZINC001195342476 811244854 /nfs/dbraw/zinc/24/48/54/811244854.db2.gz PUEQRPVQRNHMFM-UHFFFAOYSA-N 1 1 254.418 3.249 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](CCOC2CCCCCC2)C1 ZINC001195463159 811258169 /nfs/dbraw/zinc/25/81/69/811258169.db2.gz HYTNOBMMPADZDJ-MRXNPFEDSA-N 1 1 263.425 3.461 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCC[N@H+](CCCCC)CC1 ZINC001195966613 811305735 /nfs/dbraw/zinc/30/57/35/811305735.db2.gz NYGKXTQYIQJVOG-UHFFFAOYSA-N 1 1 292.467 3.479 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[N@H+](CC/C=C/CC)CC1 ZINC001196018613 811312078 /nfs/dbraw/zinc/31/20/78/811312078.db2.gz ZJRZEESDOUDQDG-AATRIKPKSA-N 1 1 278.440 3.233 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(OC)c1C)[C@H](C)COC ZINC001196048250 811314020 /nfs/dbraw/zinc/31/40/20/811314020.db2.gz QCJMWWHXKZKGNC-CYBMUJFWSA-N 1 1 263.381 3.027 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@@](C)(F)CCCC)CC1 ZINC001196358904 811336511 /nfs/dbraw/zinc/33/65/11/811336511.db2.gz QCYNKMRRGGTXGN-KRWDZBQOSA-N 1 1 298.446 3.405 20 30 CGEDMO C[N@H+](Cc1ccc2cnccc2c1)[C@H]1CCC[C@@H]1C#N ZINC001196833563 811372338 /nfs/dbraw/zinc/37/23/38/811372338.db2.gz STITUEHTAXLJHF-WBVHZDCISA-N 1 1 265.360 3.359 20 30 CGEDMO C[N@@H+](Cc1ccc2cnccc2c1)[C@H]1CCC[C@@H]1C#N ZINC001196833563 811372347 /nfs/dbraw/zinc/37/23/47/811372347.db2.gz STITUEHTAXLJHF-WBVHZDCISA-N 1 1 265.360 3.359 20 30 CGEDMO CC#CCCCC(=O)N1CCC[N@@H+](CCCC(C)C)CC1 ZINC001196846788 811372473 /nfs/dbraw/zinc/37/24/73/811372473.db2.gz JNFMYXJOHITGOI-UHFFFAOYSA-N 1 1 292.467 3.151 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[N@H+](CCCCC)CC1 ZINC001197037946 811392669 /nfs/dbraw/zinc/39/26/69/811392669.db2.gz SPJFSPIBMAPCCY-QGZVFWFLSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCC1(C(=O)N2CCC[N@H+](CCCCC)CC2)CCC1 ZINC001197077455 811397442 /nfs/dbraw/zinc/39/74/42/811397442.db2.gz TUKMDBMHBRXYJG-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[N@H+](CCCC(C)C)CC2)C1 ZINC001197102708 811399196 /nfs/dbraw/zinc/39/91/96/811399196.db2.gz WOGZHHYTYVFAAR-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C2(CF)CCC2)CC1 ZINC001197188273 811404647 /nfs/dbraw/zinc/40/46/47/811404647.db2.gz XSHZZPOMLLQHKH-OAHLLOKOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)C[C@@H](C)CC(C)C)CC1 ZINC001197793900 811454528 /nfs/dbraw/zinc/45/45/28/811454528.db2.gz DCPDSWXSGXXGKH-INIZCTEOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)C[C@@H](C)C(C)(C)C)CC1 ZINC001197943311 811466548 /nfs/dbraw/zinc/46/65/48/811466548.db2.gz PUYXZVHJQAVSLW-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C#CC[N@@H+](CCOC1CC1)[C@@H]1CCCc2ccccc21 ZINC001198103150 811476069 /nfs/dbraw/zinc/47/60/69/811476069.db2.gz DEVSSVFTASOBRU-GOSISDBHSA-N 1 1 269.388 3.178 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)C(CC(C)C)CC(C)C)CC1 ZINC001198304235 811491052 /nfs/dbraw/zinc/49/10/52/811491052.db2.gz QTTSGYKFHHAAON-UHFFFAOYSA-N 1 1 294.483 3.415 20 30 CGEDMO N#Cc1cc(C[NH2+]Cc2cc(F)ccc2F)cs1 ZINC001200334000 811678985 /nfs/dbraw/zinc/67/89/85/811678985.db2.gz OQDNRAXHQHPKER-UHFFFAOYSA-N 1 1 264.300 3.188 20 30 CGEDMO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](CC(C)(C)C)C2)C1 ZINC001201426559 811840515 /nfs/dbraw/zinc/84/05/15/811840515.db2.gz LGJHFOKSSSGFJA-KRWDZBQOSA-N 1 1 294.439 3.143 20 30 CGEDMO C=CCOC(=O)N1CCC2(CCC[N@H+](CC(C)C)C2)CC1 ZINC001201463681 811852806 /nfs/dbraw/zinc/85/28/06/811852806.db2.gz GBYMMDVTZIIFQC-UHFFFAOYSA-N 1 1 294.439 3.143 20 30 CGEDMO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](CC(CC)CC)C2 ZINC001201527705 811885011 /nfs/dbraw/zinc/88/50/11/811885011.db2.gz BQHWWBJYZBIBGO-IAGOWNOFSA-N 1 1 281.440 3.249 20 30 CGEDMO COc1ccc(C#N)cc1Nc1c[nH+]c2cccc(C)n12 ZINC001201581771 811912780 /nfs/dbraw/zinc/91/27/80/811912780.db2.gz CGBMJVGRRFAWRK-UHFFFAOYSA-N 1 1 278.315 3.267 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](CCC(C)C)[C@H]2CC ZINC001201615666 811921437 /nfs/dbraw/zinc/92/14/37/811921437.db2.gz XQXFYTSANACJNV-WMZOPIPTSA-N 1 1 292.467 3.454 20 30 CGEDMO CCCCCCCCCCC[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC001201631010 811925767 /nfs/dbraw/zinc/92/57/67/811925767.db2.gz KRVSXYSFTZQUKU-SJORKVTESA-N 1 1 285.472 3.192 20 30 CGEDMO CCCCCCC[N@@H+]1Cc2ccnn2C[C@@H](COCC)C1 ZINC001201776371 811964253 /nfs/dbraw/zinc/96/42/53/811964253.db2.gz CYWRUDVILOFLLB-INIZCTEOSA-N 1 1 293.455 3.322 20 30 CGEDMO CCCCCCC[N@H+]1CCc2nc(Cl)ncc2C1 ZINC001201788019 811964369 /nfs/dbraw/zinc/96/43/69/811964369.db2.gz SLCZPEUOBGOXFX-UHFFFAOYSA-N 1 1 267.804 3.459 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@H](Oc2cnccn2)C1 ZINC001201839365 811968846 /nfs/dbraw/zinc/96/88/46/811968846.db2.gz ANMPHJZISDQWOR-HNNXBMFYSA-N 1 1 277.412 3.290 20 30 CGEDMO FC[C@@H]1C[N@@H+](CCCC(F)(F)F)C[C@H]1C(F)(F)F ZINC001202378321 812080108 /nfs/dbraw/zinc/08/01/08/812080108.db2.gz VKYFVPQFEHQGHX-HTQZYQBOSA-N 1 1 281.215 3.409 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCC3)CC1 ZINC001203034196 812221024 /nfs/dbraw/zinc/22/10/24/812221024.db2.gz UKIVFDOIMRQALS-AWEZNQCLSA-N 1 1 254.377 3.301 20 30 CGEDMO COc1ccc(F)c(C[NH2+]Cc2csc(C#N)c2)c1 ZINC001203207452 812266168 /nfs/dbraw/zinc/26/61/68/812266168.db2.gz LAGDZTSQJZFWRR-UHFFFAOYSA-N 1 1 276.336 3.057 20 30 CGEDMO C#CC[N@@H+](Cc1[nH]c(CC)nc1C)[C@@H]1CCc2ccccc21 ZINC001203243103 812279699 /nfs/dbraw/zinc/27/96/99/812279699.db2.gz HKYWUVQTDDXNIM-GOSISDBHSA-N 1 1 293.414 3.403 20 30 CGEDMO C#CC[N@H+](Cc1[nH]c(CC)nc1C)[C@@H]1CCc2ccccc21 ZINC001203243103 812279707 /nfs/dbraw/zinc/27/97/07/812279707.db2.gz HKYWUVQTDDXNIM-GOSISDBHSA-N 1 1 293.414 3.403 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@H+](Cc1cc(Cl)ccc1O)CC2 ZINC001203651880 812415080 /nfs/dbraw/zinc/41/50/80/812415080.db2.gz YXKMEVDQWSOTJP-UHFFFAOYSA-N 1 1 298.773 3.476 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@@H+](Cc1cc(Cl)ccc1O)CC2 ZINC001203651880 812415083 /nfs/dbraw/zinc/41/50/83/812415083.db2.gz YXKMEVDQWSOTJP-UHFFFAOYSA-N 1 1 298.773 3.476 20 30 CGEDMO COc1cc(C)c(C[N@@H+]2CC[C@@](C)(C#N)C2)cc1C ZINC001203757200 812455156 /nfs/dbraw/zinc/45/51/56/812455156.db2.gz CJYHZHDPVYOZTI-INIZCTEOSA-N 1 1 258.365 3.048 20 30 CGEDMO COc1cc(C)c(C[N@H+]2CC[C@@](C)(C#N)C2)cc1C ZINC001203757200 812455159 /nfs/dbraw/zinc/45/51/59/812455159.db2.gz CJYHZHDPVYOZTI-INIZCTEOSA-N 1 1 258.365 3.048 20 30 CGEDMO N#Cc1cccc(C[NH+]2CCN(c3cccc(F)c3)CC2)c1 ZINC001203763812 812457580 /nfs/dbraw/zinc/45/75/80/812457580.db2.gz MOJBDSQMPHBSOR-UHFFFAOYSA-N 1 1 295.361 3.020 20 30 CGEDMO Cc1cccc(C[N@H+]2CCc3ccc(C#N)cc3C2)c1 ZINC001203888217 812481539 /nfs/dbraw/zinc/48/15/39/812481539.db2.gz OAPMTDGLBGHQAY-UHFFFAOYSA-N 1 1 262.356 3.425 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cc(OC)c(O)c(OC)c1 ZINC001204125721 812553306 /nfs/dbraw/zinc/55/33/06/812553306.db2.gz VAYNETBTKXZCJP-UHFFFAOYSA-N 1 1 279.380 3.198 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2F)CC1 ZINC001204198106 812572006 /nfs/dbraw/zinc/57/20/06/812572006.db2.gz OIBYUXCFHQBICV-LLVKDONJSA-N 1 1 250.292 3.090 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2cccc(F)c2F)CC1 ZINC001204198106 812572008 /nfs/dbraw/zinc/57/20/08/812572008.db2.gz OIBYUXCFHQBICV-LLVKDONJSA-N 1 1 250.292 3.090 20 30 CGEDMO C=CC[N@H+](Cc1c(OC)cccc1OC)C(C)(C)C ZINC001204253159 812587425 /nfs/dbraw/zinc/58/74/25/812587425.db2.gz JSWSMGJFAFYLGR-UHFFFAOYSA-N 1 1 263.381 3.490 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCC(=O)[C@H](C)CC2)cc1 ZINC001204297139 812603307 /nfs/dbraw/zinc/60/33/07/812603307.db2.gz CJRBXBUHCPFCOZ-CQSZACIVSA-N 1 1 273.376 3.052 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC(=O)[C@H](C)CC2)cc1 ZINC001204297139 812603311 /nfs/dbraw/zinc/60/33/11/812603311.db2.gz CJRBXBUHCPFCOZ-CQSZACIVSA-N 1 1 273.376 3.052 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@](C)(CF)C2)cc1 ZINC001204298032 812604870 /nfs/dbraw/zinc/60/48/70/812604870.db2.gz UQBXUELJBBLUBL-INIZCTEOSA-N 1 1 263.356 3.433 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)cc1 ZINC001204304339 812606553 /nfs/dbraw/zinc/60/65/53/812606553.db2.gz DZNPRBWLIFUVIL-RDJZCZTQSA-N 1 1 285.387 3.052 20 30 CGEDMO Cc1cc(C[NH+]2CCN(c3ccc(C#N)cc3)CC2)oc1C ZINC001204534550 812669955 /nfs/dbraw/zinc/66/99/55/812669955.db2.gz IQFDWNNTHKIHCS-UHFFFAOYSA-N 1 1 295.386 3.090 20 30 CGEDMO N#Cc1cccc(CO[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC001205589363 813012872 /nfs/dbraw/zinc/01/28/72/813012872.db2.gz CQBZADDXWOZKAJ-LJQANCHMSA-N 1 1 292.382 3.349 20 30 CGEDMO C=C(C)COc1ccccc1CN1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205901268 813123043 /nfs/dbraw/zinc/12/30/43/813123043.db2.gz CCMKBPOWNCEUDQ-JKSUJKDBSA-N 1 1 288.435 3.201 20 30 CGEDMO C=CC[N@H+](Cc1cccnc1OC)C1CCCCC1 ZINC001206602543 813370685 /nfs/dbraw/zinc/37/06/85/813370685.db2.gz GMYWEGVIVIGNPL-UHFFFAOYSA-N 1 1 260.381 3.411 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1Nc1ccc(Cl)nc1C#N ZINC001206715110 813405050 /nfs/dbraw/zinc/40/50/50/813405050.db2.gz WYECTHCKMQOQMR-UHFFFAOYSA-N 1 1 287.754 3.120 20 30 CGEDMO C=C(C)CO[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC001206750950 813420392 /nfs/dbraw/zinc/42/03/92/813420392.db2.gz RBIICIYYIDQULC-HNNXBMFYSA-N 1 1 263.356 3.383 20 30 CGEDMO Cn1cc(C[N@H+]2CC[C@@H](C3CCCCC3)C2)cc1C#N ZINC001207109636 813486976 /nfs/dbraw/zinc/48/69/76/813486976.db2.gz PQMJALSYNXBTKM-MRXNPFEDSA-N 1 1 271.408 3.299 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[C@H](C)CC)C1 ZINC001207120444 813489304 /nfs/dbraw/zinc/48/93/04/813489304.db2.gz PPYDJIVOHOQXPU-BZUAXINKSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](CC/C=C/CC)C[C@H]1C ZINC001207165373 813502706 /nfs/dbraw/zinc/50/27/06/813502706.db2.gz LBXALMQUOCZNIZ-GUFYHEMZSA-N 1 1 292.467 3.382 20 30 CGEDMO CN(C)CC(C)(C)C[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC001207285225 813536815 /nfs/dbraw/zinc/53/68/15/813536815.db2.gz DKLGCAQVKZSKTR-UHFFFAOYSA-N 1 1 299.462 3.325 20 30 CGEDMO C=C(C)C[C@H]([NH2+][C@H](C)CC1CCC1)C(=O)OCC ZINC001207334192 813542269 /nfs/dbraw/zinc/54/22/69/813542269.db2.gz MOORNZRWEDDUST-OCCSQVGLSA-N 1 1 253.386 3.053 20 30 CGEDMO O=C1C=C2C[N@@H+](CCCc3cccc(F)c3)CCC2S1 ZINC001207599612 813607723 /nfs/dbraw/zinc/60/77/23/813607723.db2.gz AYTDVHDIBMTFJM-HNNXBMFYSA-N 1 1 291.391 3.032 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207626920 813618297 /nfs/dbraw/zinc/61/82/97/813618297.db2.gz NURUEXJPNULRMQ-GVDBMIGSSA-N 1 1 252.361 3.202 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207632627 813621556 /nfs/dbraw/zinc/62/15/56/813621556.db2.gz QBRCQWCCYJGKIP-XKQJLSEDSA-N 1 1 252.361 3.202 20 30 CGEDMO CCc1ccc2c(c1)CC[N@@H+](Cc1cccc(C#N)n1)C2 ZINC001207844909 813661652 /nfs/dbraw/zinc/66/16/52/813661652.db2.gz SRZNIVRHDMFBGW-UHFFFAOYSA-N 1 1 277.371 3.074 20 30 CGEDMO CCc1ccc2c(c1)CC[N@H+](Cc1cccc(C#N)n1)C2 ZINC001207844909 813661657 /nfs/dbraw/zinc/66/16/57/813661657.db2.gz SRZNIVRHDMFBGW-UHFFFAOYSA-N 1 1 277.371 3.074 20 30 CGEDMO CCCCCCC/C=C/C[N@@H+]1CCC(=O)N(C)CC1 ZINC001208118858 813698621 /nfs/dbraw/zinc/69/86/21/813698621.db2.gz QKLKMTWJSKWDSV-MDZDMXLPSA-N 1 1 266.429 3.067 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@H+](CCC/C=C\CC)C2)C1=O ZINC001208135237 813701743 /nfs/dbraw/zinc/70/17/43/813701743.db2.gz DJFQUWSZMVUNTQ-XFHJGTJQSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H](CO)CC[C@H]2C)CC1 ZINC001208170051 813723865 /nfs/dbraw/zinc/72/38/65/813723865.db2.gz BZGLVMBDAIKBCE-HYVNUMGLSA-N 1 1 263.425 3.382 20 30 CGEDMO C=C(C)[C@@H]1CC=C(CN2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC001208176316 813727930 /nfs/dbraw/zinc/72/79/30/813727930.db2.gz DZUDBPSGBVGUAT-IAGOWNOFSA-N 1 1 260.425 3.069 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1cccc(F)c1 ZINC001208199497 813743117 /nfs/dbraw/zinc/74/31/17/813743117.db2.gz QNERUIOESUPHEI-MKZZRHPPSA-N 1 1 258.340 3.135 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C)CCCC2)C1 ZINC001208228766 813751505 /nfs/dbraw/zinc/75/15/05/813751505.db2.gz PXGYRTYWWBXKOY-BZUAXINKSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1C ZINC001208295036 813752908 /nfs/dbraw/zinc/75/29/08/813752908.db2.gz XFHJIHIXIVTCEX-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCCC(C)C)C[C@H]1C ZINC001208309914 813753771 /nfs/dbraw/zinc/75/37/71/813753771.db2.gz ZIZMALLFSQBVTK-HUUCEWRRSA-N 1 1 280.456 3.071 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C ZINC001208396406 813759538 /nfs/dbraw/zinc/75/95/38/813759538.db2.gz VDIIPGILIGSIIB-OWCLPIDISA-N 1 1 280.456 3.071 20 30 CGEDMO CCN(CCC#N)C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001208588414 813769682 /nfs/dbraw/zinc/76/96/82/813769682.db2.gz HUOGGTYUCAKLJE-SFHVURJKSA-N 1 1 285.435 3.277 20 30 CGEDMO N#Cc1ccc2c(c1)CC[N@H+](CCC1CCCC1)C2 ZINC001208690252 813796183 /nfs/dbraw/zinc/79/61/83/813796183.db2.gz DPYBVLOURKLPOZ-UHFFFAOYSA-N 1 1 254.377 3.497 20 30 CGEDMO N#Cc1cccc(CCC[N@@H+]2CCCC[C@H](F)C2)c1 ZINC001208846270 813863583 /nfs/dbraw/zinc/86/35/83/813863583.db2.gz YWHGXXFDJHGPOB-INIZCTEOSA-N 1 1 260.356 3.315 20 30 CGEDMO N#Cc1cccc(CCC[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c1 ZINC001208852020 813866243 /nfs/dbraw/zinc/86/62/43/813866243.db2.gz QVSYLEBYAOXOMH-IYBDPMFKSA-N 1 1 290.357 3.468 20 30 CGEDMO N#Cc1cccc(CCC[N@@H+]2CCC[C@H](C(F)F)C2)c1 ZINC001208853079 813866802 /nfs/dbraw/zinc/86/68/02/813866802.db2.gz BWUYYLNMGRTFHF-HNNXBMFYSA-N 1 1 278.346 3.468 20 30 CGEDMO C[C@@H]1c2cccn2CC[N@@H+]1CCCc1cccc(C#N)c1 ZINC001208851594 813867141 /nfs/dbraw/zinc/86/71/41/813867141.db2.gz ZUHFZYIPHOQTCJ-OAHLLOKOSA-N 1 1 279.387 3.369 20 30 CGEDMO N#Cc1cccc(CCC[N@@H+](CC2CC2)C2CC2)c1 ZINC001208853915 813867535 /nfs/dbraw/zinc/86/75/35/813867535.db2.gz BQCSJFRZTYZJFL-UHFFFAOYSA-N 1 1 254.377 3.365 20 30 CGEDMO C[N@@H+](CCCc1cccc(C#N)c1)C[C@H]1CC1(C)C ZINC001208850934 813867846 /nfs/dbraw/zinc/86/78/46/813867846.db2.gz OUGHYJPZOWVZKJ-MRXNPFEDSA-N 1 1 256.393 3.469 20 30 CGEDMO N#Cc1cccc(CCC[N@H+]2CCC[C@H]2c2ncccn2)c1 ZINC001208860612 813870937 /nfs/dbraw/zinc/87/09/37/813870937.db2.gz QBRHGQLPCRSZNM-KRWDZBQOSA-N 1 1 292.386 3.118 20 30 CGEDMO COC(C)(C)[C@@H]1CCC[N@H+]1CCCc1ccc(C#N)cc1 ZINC001208859333 813871348 /nfs/dbraw/zinc/87/13/48/813871348.db2.gz XIVMSLMFXOKIOR-KRWDZBQOSA-N 1 1 286.419 3.380 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](C[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC001208940503 813905682 /nfs/dbraw/zinc/90/56/82/813905682.db2.gz SLQCAXKKVIJEIC-QUCCMNQESA-N 1 1 296.458 3.244 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](C[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC001208940503 813905689 /nfs/dbraw/zinc/90/56/89/813905689.db2.gz SLQCAXKKVIJEIC-QUCCMNQESA-N 1 1 296.458 3.244 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C ZINC001208953865 813910144 /nfs/dbraw/zinc/91/01/44/813910144.db2.gz ARJDOODJEFQUQK-HUUCEWRRSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC2CC(C)C2)C[C@H]1C ZINC001208954422 813910787 /nfs/dbraw/zinc/91/07/87/813910787.db2.gz LICRLPJUQGPKFC-GYTBAZASSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CCN(CC[N@@H+](CC=C)C1CCCCC1)C(=O)OCC ZINC001209023982 813917470 /nfs/dbraw/zinc/91/74/70/813917470.db2.gz OIYQZKWWIQOYDU-UHFFFAOYSA-N 1 1 294.439 3.452 20 30 CGEDMO C=CCN(CC[N@H+]1CCC[C@H]2CCCC[C@@H]21)C(=O)OCC ZINC001209021976 813917847 /nfs/dbraw/zinc/91/78/47/813917847.db2.gz HFRXPLWUTHXBOF-CVEARBPZSA-N 1 1 294.439 3.286 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CCC)C(C)C)C1 ZINC001209037716 813920400 /nfs/dbraw/zinc/92/04/00/813920400.db2.gz BFJMIFOVMYMVLR-IXDOHACOSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC001209157116 813949873 /nfs/dbraw/zinc/94/98/73/813949873.db2.gz OTSXQXYLGZACLL-LSDHHAIUSA-N 1 1 294.439 3.284 20 30 CGEDMO C=CCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC001209157147 813950709 /nfs/dbraw/zinc/95/07/09/813950709.db2.gz PPMATEXYZWGJDD-AWEZNQCLSA-N 1 1 282.428 3.284 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@]2(CCN(c3ccsc3)C2=O)C1 ZINC001209161173 813952228 /nfs/dbraw/zinc/95/22/28/813952228.db2.gz ILOREFUGFXKJER-MRXNPFEDSA-N 1 1 290.432 3.143 20 30 CGEDMO C=CCCCC[N@@H+]1CCn2c(COCC)cnc2[C@@H]1C ZINC001209202544 813966725 /nfs/dbraw/zinc/96/67/25/813966725.db2.gz DVCYKVZMAGPBCZ-AWEZNQCLSA-N 1 1 277.412 3.153 20 30 CGEDMO C=CCCCC[N@H+]1CCn2c(COCC)cnc2[C@@H]1C ZINC001209202544 813966729 /nfs/dbraw/zinc/96/67/29/813966729.db2.gz DVCYKVZMAGPBCZ-AWEZNQCLSA-N 1 1 277.412 3.153 20 30 CGEDMO C=CCCCC[N@@H+](CCC(=O)OCC)[C@H](CCC)COC ZINC001209207299 813968447 /nfs/dbraw/zinc/96/84/47/813968447.db2.gz RKMYCPFFAWWAHZ-MRXNPFEDSA-N 1 1 299.455 3.413 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](CCCCOCc2ccccc2)C1 ZINC001209264810 813988365 /nfs/dbraw/zinc/98/83/65/813988365.db2.gz CTRJODXULJGBPK-QGZVFWFLSA-N 1 1 271.404 3.329 20 30 CGEDMO C#CCCC[N@H+](C)[C@H](CCC)C(=O)c1ccccc1 ZINC001209267817 813989184 /nfs/dbraw/zinc/98/91/84/813989184.db2.gz LDHNPUAUKVQCDM-MRXNPFEDSA-N 1 1 257.377 3.383 20 30 CGEDMO C#CCCC[N@H+](CCCC(=O)OCC)Cc1ccccc1 ZINC001209268412 813989749 /nfs/dbraw/zinc/98/97/49/813989749.db2.gz HWNILZZMJFFULE-UHFFFAOYSA-N 1 1 287.403 3.245 20 30 CGEDMO C=CCCCCC[N@H+]1Cc2ccccc2C[C@H]1C(=O)OC ZINC001209428504 814029418 /nfs/dbraw/zinc/02/94/18/814029418.db2.gz INLRERCSAXAEMZ-KRWDZBQOSA-N 1 1 287.403 3.333 20 30 CGEDMO C=CCCCCC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)OC ZINC001209428504 814029422 /nfs/dbraw/zinc/02/94/22/814029422.db2.gz INLRERCSAXAEMZ-KRWDZBQOSA-N 1 1 287.403 3.333 20 30 CGEDMO C=CCCCCCC[N@@H+]1CCC[C@@H](C(=O)OC)[C@@H]1C ZINC001209435428 814037520 /nfs/dbraw/zinc/03/75/20/814037520.db2.gz CRWKPYJXZFHYAN-LSDHHAIUSA-N 1 1 267.413 3.396 20 30 CGEDMO C=CCCCCCC[N@@H+]1CCC[C@@H](C(=O)OC)CC1 ZINC001209438481 814038128 /nfs/dbraw/zinc/03/81/28/814038128.db2.gz LYUBTBJFYPTCBY-OAHLLOKOSA-N 1 1 267.413 3.398 20 30 CGEDMO C=CCCCCCC[N@@H+]1CC[C@H]2[C@@H](CCC(=O)N2C)C1 ZINC001209438601 814039897 /nfs/dbraw/zinc/03/98/97/814039897.db2.gz PAIAWPKJBVTNPS-HOTGVXAUSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCCCCCCC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001209445774 814045920 /nfs/dbraw/zinc/04/59/20/814045920.db2.gz NHJBYRIEZJUISY-CALCHBBNSA-N 1 1 264.457 3.397 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001209445774 814045924 /nfs/dbraw/zinc/04/59/24/814045924.db2.gz NHJBYRIEZJUISY-CALCHBBNSA-N 1 1 264.457 3.397 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC001209445774 814045935 /nfs/dbraw/zinc/04/59/35/814045935.db2.gz NHJBYRIEZJUISY-CALCHBBNSA-N 1 1 264.457 3.397 20 30 CGEDMO C=CCCCCCCCC[N@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC001209445774 814045937 /nfs/dbraw/zinc/04/59/37/814045937.db2.gz NHJBYRIEZJUISY-CALCHBBNSA-N 1 1 264.457 3.397 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@H](Oc3cccc(C#N)c3)C2)[nH]1 ZINC001209578208 814088993 /nfs/dbraw/zinc/08/89/93/814088993.db2.gz IEGWQOWEBYYFGH-SFHVURJKSA-N 1 1 295.386 3.238 20 30 CGEDMO Cc1[nH]c2ncccc2c1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001209590843 814093584 /nfs/dbraw/zinc/09/35/84/814093584.db2.gz PRDXUIAGPDHCPQ-ZSOGYDGISA-N 1 1 280.375 3.138 20 30 CGEDMO COc1cc(C#N)c(Nc2ccc3[nH]c[nH+]c3c2)cc1OC ZINC001209846989 814163963 /nfs/dbraw/zinc/16/39/63/814163963.db2.gz KVNKXUZJRCHXKJ-UHFFFAOYSA-N 1 1 294.314 3.195 20 30 CGEDMO CCCCCCC[C@H](C)OCC[NH+]1CCOCC1 ZINC001210206224 814339748 /nfs/dbraw/zinc/33/97/48/814339748.db2.gz AMTXSVDZZPROKJ-HNNXBMFYSA-N 1 1 257.418 3.084 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001210308351 814395220 /nfs/dbraw/zinc/39/52/20/814395220.db2.gz YLXKKUIUQFMNKT-BZUAXINKSA-N 1 1 294.483 3.461 20 30 CGEDMO Cc1[nH+]c2c(NC3=CC(=O)C[C@@H](C)C3)cccn2c1C ZINC001210770776 814617309 /nfs/dbraw/zinc/61/73/09/814617309.db2.gz PJPYHNRWDIWVAI-JTQLQIEISA-N 1 1 269.348 3.246 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)CCCCC1 ZINC001211234868 814856722 /nfs/dbraw/zinc/85/67/22/814856722.db2.gz AKTHHCVXKZAXMB-HZPDHXFCSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CCCC)C(C)C)C1 ZINC001211389513 814888538 /nfs/dbraw/zinc/88/85/38/814888538.db2.gz UUCRAOHYECWIGA-OWCLPIDISA-N 1 1 280.456 3.071 20 30 CGEDMO C=CC[C@H]1[NH2+]CCC[C@H]1O/C(=N\O)c1ccc(Cl)cc1 ZINC001217927480 816002884 /nfs/dbraw/zinc/00/28/84/816002884.db2.gz SNIYHROGEPYIJC-GEDAEYTGSA-N 1 1 294.782 3.189 20 30 CGEDMO N#Cc1oc2ccccc2c1NC(=O)[C@@H]([NH3+])c1ccsc1 ZINC001218627085 816248843 /nfs/dbraw/zinc/24/88/43/816248843.db2.gz AUDVDPJTWIZKIK-ZDUSSCGKSA-N 1 1 297.339 3.004 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](C)CCC)[C@@H]2C1 ZINC001221432627 816315017 /nfs/dbraw/zinc/31/50/17/816315017.db2.gz YAGDIDJSNVCTBB-GVDBMIGSSA-N 1 1 292.467 3.312 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[C@@H]3C)[C@@H]2C1 ZINC001221740419 816325738 /nfs/dbraw/zinc/32/57/38/816325738.db2.gz WGINNMNCGZZPKU-VVLHAWIVSA-N 1 1 292.467 3.146 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](F)CCCCCC)[C@@H]2C1 ZINC001221949971 816336471 /nfs/dbraw/zinc/33/64/71/816336471.db2.gz PMPOZGFUJDLRPQ-OWCLPIDISA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCCCC)[C@@H]2C1 ZINC001221993785 816339339 /nfs/dbraw/zinc/33/93/39/816339339.db2.gz ZCHREFZMIGPFSP-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCOc1ccccc1CO[C@@H]1CCC[N@H+](CC)C1 ZINC001223786968 816683776 /nfs/dbraw/zinc/68/37/76/816683776.db2.gz MRQJSNGOTKQMSN-MRXNPFEDSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H](C)C(C)(C)C)C[C@@H]21 ZINC001224008639 816720045 /nfs/dbraw/zinc/72/00/45/816720045.db2.gz CRNKCUPPLNNTTP-XHSDSOJGSA-N 1 1 292.467 3.168 20 30 CGEDMO CCCCCCC[C@@H](CC)OCC[NH+]1CCN(C)CC1 ZINC001224549069 816827283 /nfs/dbraw/zinc/82/72/83/816827283.db2.gz IOGFAIUBGRYISC-QGZVFWFLSA-N 1 1 284.488 3.390 20 30 CGEDMO C=CCOc1ccccc1[C@H](C)OC[C@@H]1CCC[N@H+]1C ZINC001224817619 816889597 /nfs/dbraw/zinc/88/95/97/816889597.db2.gz VQVQQAQMEAGUFF-GJZGRUSLSA-N 1 1 275.392 3.423 20 30 CGEDMO C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1OCCC[NH+]1CCOCC1 ZINC001224866937 816898719 /nfs/dbraw/zinc/89/87/19/816898719.db2.gz JTGYWIINTJUEQD-ULQDDVLXSA-N 1 1 281.440 3.106 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OCC1(C#N)CC1 ZINC001224949143 816915715 /nfs/dbraw/zinc/91/57/15/816915715.db2.gz YOGQAGOLRNDPHK-WBVHZDCISA-N 1 1 284.403 3.217 20 30 CGEDMO C=C[C@@H](CCC)OC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001224960707 816918267 /nfs/dbraw/zinc/91/82/67/816918267.db2.gz FZMPMCUBNPQGSR-ZWKOTPCHSA-N 1 1 289.419 3.259 20 30 CGEDMO C=C[C@@H](CCC)OC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001224960707 816918273 /nfs/dbraw/zinc/91/82/73/816918273.db2.gz FZMPMCUBNPQGSR-ZWKOTPCHSA-N 1 1 289.419 3.259 20 30 CGEDMO Cc1ccc(C(C)C)cc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001225225550 816968866 /nfs/dbraw/zinc/96/88/66/816968866.db2.gz WIFXQORCWMOQRQ-XHSLCFAUSA-N 1 1 287.403 3.110 20 30 CGEDMO Cc1ccc(C(C)C)cc1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001225225550 816968874 /nfs/dbraw/zinc/96/88/74/816968874.db2.gz WIFXQORCWMOQRQ-XHSLCFAUSA-N 1 1 287.403 3.110 20 30 CGEDMO CC[N@H+]1CC[C@@H](Oc2ccc3cc(C#N)ccc3c2)C1 ZINC001226812913 817472292 /nfs/dbraw/zinc/47/22/92/817472292.db2.gz GVWJXQUXOMGTJP-QGZVFWFLSA-N 1 1 266.344 3.184 20 30 CGEDMO C[N@H+]1CCC[C@@H](Oc2ccc3cc(C#N)ccc3c2)C1 ZINC001226812872 817472407 /nfs/dbraw/zinc/47/24/07/817472407.db2.gz GMPQOKHGESIZJO-QGZVFWFLSA-N 1 1 266.344 3.184 20 30 CGEDMO C=CCC1(NC(=O)NC[C@H]2CCCC[N@@H+]2CC)CCCC1 ZINC001227435424 817648278 /nfs/dbraw/zinc/64/82/78/817648278.db2.gz QXSVWQDZFOJEFK-OAHLLOKOSA-N 1 1 293.455 3.049 20 30 CGEDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1cc(Cl)ccc1C#N ZINC001228084795 817807119 /nfs/dbraw/zinc/80/71/19/817807119.db2.gz NGOPEBAAZWVHEL-VIKVFOODSA-N 1 1 290.794 3.321 20 30 CGEDMO Cc1ccnc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1C#N ZINC001228305478 817871079 /nfs/dbraw/zinc/87/10/79/817871079.db2.gz RYXUORYWHDUVMX-FICVDOATSA-N 1 1 285.391 3.044 20 30 CGEDMO CC(=O)/C=C/c1ccc(O[C@H]2CCC[N@H+](C)CC2)cc1 ZINC001228497386 817922628 /nfs/dbraw/zinc/92/26/28/817922628.db2.gz UEDCHDUIZLNYEG-JFDDCEBESA-N 1 1 273.376 3.152 20 30 CGEDMO C=C[C@@H](C)Oc1ccc(Br)c(C[NH+](C)C)c1 ZINC001228550775 817935491 /nfs/dbraw/zinc/93/54/91/817935491.db2.gz ZFCPKBRAYAKEGC-SNVBAGLBSA-N 1 1 284.197 3.464 20 30 CGEDMO CCc1ccc(C[N@@H+]2CC[C@@H]3SC(=O)C=C3C2)s1 ZINC001231500511 818114778 /nfs/dbraw/zinc/11/47/78/818114778.db2.gz UZWXJVYDBYAQNQ-ZDUSSCGKSA-N 1 1 279.430 3.085 20 30 CGEDMO CCc1ccc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)s1 ZINC001231500511 818114781 /nfs/dbraw/zinc/11/47/81/818114781.db2.gz UZWXJVYDBYAQNQ-ZDUSSCGKSA-N 1 1 279.430 3.085 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(O)c(C(F)(F)F)c2)C1 ZINC001231522643 818120089 /nfs/dbraw/zinc/12/00/89/818120089.db2.gz JKPCQLVBBLPMJW-LLVKDONJSA-N 1 1 283.293 3.256 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(O)c(C(F)(F)F)c2)C1 ZINC001231522643 818120092 /nfs/dbraw/zinc/12/00/92/818120092.db2.gz JKPCQLVBBLPMJW-LLVKDONJSA-N 1 1 283.293 3.256 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@H](C)[C@](C)(O)CC2)c1 ZINC001231621347 818137733 /nfs/dbraw/zinc/13/77/33/818137733.db2.gz ZDVGYRZZBWDKAZ-MAUKXSAKSA-N 1 1 289.419 3.234 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@@H](OCCC)C2)c1 ZINC001231623762 818139363 /nfs/dbraw/zinc/13/93/63/818139363.db2.gz UUTLNOTZHPOVGD-QGZVFWFLSA-N 1 1 275.392 3.252 20 30 CGEDMO CCc1ccc(C[N@@H+]2CCc3cc(C#N)ccc3C2)nc1 ZINC001231637263 818143797 /nfs/dbraw/zinc/14/37/97/818143797.db2.gz DINCQEIQJUPMRA-UHFFFAOYSA-N 1 1 277.371 3.074 20 30 CGEDMO CCc1ccc(C[N@H+]2CCc3cc(C#N)ccc3C2)nc1 ZINC001231637263 818143801 /nfs/dbraw/zinc/14/38/01/818143801.db2.gz DINCQEIQJUPMRA-UHFFFAOYSA-N 1 1 277.371 3.074 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CC[C@H](c3cccnc3)C2)c1 ZINC001231659132 818150225 /nfs/dbraw/zinc/15/02/25/818150225.db2.gz HEJHJBICKLYVBO-SFHVURJKSA-N 1 1 262.356 3.052 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1cc(Br)ncc1F ZINC001231917119 818211609 /nfs/dbraw/zinc/21/16/09/818211609.db2.gz NNKWHCXAFZCGFO-UHFFFAOYSA-N 1 1 287.176 3.381 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(Br)ncc1F ZINC001231917119 818211616 /nfs/dbraw/zinc/21/16/16/818211616.db2.gz NNKWHCXAFZCGFO-UHFFFAOYSA-N 1 1 287.176 3.381 20 30 CGEDMO C[N@H+](Cc1ccncc1)Cc1ccc(C#N)c(Cl)c1 ZINC001232111935 818258931 /nfs/dbraw/zinc/25/89/31/818258931.db2.gz MLMRXLCUUJHJFO-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO C[N@@H+](Cc1ccncc1)Cc1ccc(C#N)c(Cl)c1 ZINC001232111935 818258938 /nfs/dbraw/zinc/25/89/38/818258938.db2.gz MLMRXLCUUJHJFO-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO C[N@@H+](CCc1ccc(Cl)cc1)Cc1cc(C#N)ccn1 ZINC001232479813 818364576 /nfs/dbraw/zinc/36/45/76/818364576.db2.gz ZUEQEFIHOHXFQC-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO C=CC[N@@H+](C)Cc1ccc(-n2cccn2)cc1Cl ZINC001232598723 818392562 /nfs/dbraw/zinc/39/25/62/818392562.db2.gz BMRRZESEJMVTPS-UHFFFAOYSA-N 1 1 261.756 3.144 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(-n2cccn2)cc1Cl ZINC001232598723 818392566 /nfs/dbraw/zinc/39/25/66/818392566.db2.gz BMRRZESEJMVTPS-UHFFFAOYSA-N 1 1 261.756 3.144 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc3ncsc3c2)C1 ZINC001232743425 818430301 /nfs/dbraw/zinc/43/03/01/818430301.db2.gz UUXVQDIXOJRPNW-GFCCVEGCSA-N 1 1 256.374 3.142 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2c[nH]c3cc(Cl)ncc23)CC1 ZINC001232822278 818449021 /nfs/dbraw/zinc/44/90/21/818449021.db2.gz LVVQGPNAZUTDQJ-NSHDSACASA-N 1 1 288.782 3.342 20 30 CGEDMO C[C@@H]1CCC[N@@H+]1Cc1ccc(Br)c(C#N)c1 ZINC001232892218 818466735 /nfs/dbraw/zinc/46/67/35/818466735.db2.gz DICDMPXGGVRTSR-SNVBAGLBSA-N 1 1 279.181 3.305 20 30 CGEDMO C[C@@H]1CCC[N@H+]1Cc1ccc(Br)c(C#N)c1 ZINC001232892218 818466740 /nfs/dbraw/zinc/46/67/40/818466740.db2.gz DICDMPXGGVRTSR-SNVBAGLBSA-N 1 1 279.181 3.305 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCCC[C@H]2c2cccnc2)n1 ZINC001232924458 818473614 /nfs/dbraw/zinc/47/36/14/818473614.db2.gz CSVMJGQDCYASMK-KRWDZBQOSA-N 1 1 278.359 3.075 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCCC[C@H]2c2cccnc2)n1 ZINC001232924458 818473617 /nfs/dbraw/zinc/47/36/17/818473617.db2.gz CSVMJGQDCYASMK-KRWDZBQOSA-N 1 1 278.359 3.075 20 30 CGEDMO COc1ncc(C[N@H+]2CCC[C@@H](C#N)CC2)c2ccccc21 ZINC001232951306 818481379 /nfs/dbraw/zinc/48/13/79/818481379.db2.gz FBTJQPGDJCDNTA-CQSZACIVSA-N 1 1 295.386 3.369 20 30 CGEDMO Cc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2)c(C#N)c1 ZINC001232966646 818485410 /nfs/dbraw/zinc/48/54/10/818485410.db2.gz VCBDQZGTSAGJDO-UHFFFAOYSA-N 1 1 275.355 3.370 20 30 CGEDMO Cc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)c(C#N)c1 ZINC001232966646 818485414 /nfs/dbraw/zinc/48/54/14/818485414.db2.gz VCBDQZGTSAGJDO-UHFFFAOYSA-N 1 1 275.355 3.370 20 30 CGEDMO N#Cc1cc[nH]c1C[NH+]1CCC2(CCCCC2)CC1 ZINC001233045754 818507421 /nfs/dbraw/zinc/50/74/21/818507421.db2.gz HXBODAFJXHTNCY-UHFFFAOYSA-N 1 1 257.381 3.433 20 30 CGEDMO N#Cc1cc[nH]c1C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC001233049619 818511178 /nfs/dbraw/zinc/51/11/78/818511178.db2.gz ROWODNJJMDQCII-MRXNPFEDSA-N 1 1 283.350 3.233 20 30 CGEDMO C[C@@H]1CCCC[N@@H+](Cc2ccc(N(C)C)c(C#N)c2F)C1 ZINC001233096713 818520669 /nfs/dbraw/zinc/52/06/69/818520669.db2.gz KMPCAURLTZDBNU-CYBMUJFWSA-N 1 1 289.398 3.385 20 30 CGEDMO CC[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(C#N)c2F)C1 ZINC001233101596 818520694 /nfs/dbraw/zinc/52/06/94/818520694.db2.gz ANZMNCUEAINVKD-CYBMUJFWSA-N 1 1 289.398 3.385 20 30 CGEDMO CCCCC[N@@H+](C)Cc1ccc(N(C)C)c(C#N)c1F ZINC001233097534 818521475 /nfs/dbraw/zinc/52/14/75/818521475.db2.gz TZMYHVIOJMLRNG-UHFFFAOYSA-N 1 1 277.387 3.385 20 30 CGEDMO CC(C)[C@@H]1CCC[N@H+]1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233102829 818521768 /nfs/dbraw/zinc/52/17/68/818521768.db2.gz PBJCOWSIRZVNPS-HNNXBMFYSA-N 1 1 289.398 3.384 20 30 CGEDMO C=CC[NH+]1CCN(Cc2csc(C(F)(F)F)c2)CC1 ZINC001233175343 818535974 /nfs/dbraw/zinc/53/59/74/818535974.db2.gz AJDYDAPVRUXNKY-UHFFFAOYSA-N 1 1 290.354 3.071 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cc(C(=O)OCC)ccn1 ZINC001233327565 818579697 /nfs/dbraw/zinc/57/96/97/818579697.db2.gz ZEEGPNNIZQZZGY-UHFFFAOYSA-N 1 1 276.380 3.046 20 30 CGEDMO C=CCCCC[N@@H+](C)Cc1c(O)ccc(F)c1F ZINC001233335783 818587553 /nfs/dbraw/zinc/58/75/53/818587553.db2.gz LKCAVGGTNQQCKS-UHFFFAOYSA-N 1 1 255.308 3.459 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1c(O)ccc(F)c1F ZINC001233335783 818587560 /nfs/dbraw/zinc/58/75/60/818587560.db2.gz LKCAVGGTNQQCKS-UHFFFAOYSA-N 1 1 255.308 3.459 20 30 CGEDMO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(C#N)cc1[O-] ZINC001233387661 818606948 /nfs/dbraw/zinc/60/69/48/818606948.db2.gz SHSOMEBPIJIAQI-CYBMUJFWSA-N 1 1 278.355 3.211 20 30 CGEDMO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(C#N)cc1O ZINC001233387661 818606953 /nfs/dbraw/zinc/60/69/53/818606953.db2.gz SHSOMEBPIJIAQI-CYBMUJFWSA-N 1 1 278.355 3.211 20 30 CGEDMO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(C#N)cc1O ZINC001233387661 818606960 /nfs/dbraw/zinc/60/69/60/818606960.db2.gz SHSOMEBPIJIAQI-CYBMUJFWSA-N 1 1 278.355 3.211 20 30 CGEDMO COc1ccc([C@@H](C)[N@@H+](C)Cc2ccc(C#N)cc2[O-])cc1 ZINC001233386868 818607311 /nfs/dbraw/zinc/60/73/11/818607311.db2.gz LNGXCMCYAHFSEU-CYBMUJFWSA-N 1 1 296.370 3.465 20 30 CGEDMO COc1ccc([C@@H](C)[N@H+](C)Cc2ccc(C#N)cc2O)cc1 ZINC001233386868 818607314 /nfs/dbraw/zinc/60/73/14/818607314.db2.gz LNGXCMCYAHFSEU-CYBMUJFWSA-N 1 1 296.370 3.465 20 30 CGEDMO COc1ccc([C@@H](C)[N@@H+](C)Cc2ccc(C#N)cc2O)cc1 ZINC001233386868 818607316 /nfs/dbraw/zinc/60/73/16/818607316.db2.gz LNGXCMCYAHFSEU-CYBMUJFWSA-N 1 1 296.370 3.465 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233455161 818624186 /nfs/dbraw/zinc/62/41/86/818624186.db2.gz ZEGWAQUCABVHFC-NSHDSACASA-N 1 1 283.293 3.256 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)C1CC1 ZINC001233531452 818634640 /nfs/dbraw/zinc/63/46/40/818634640.db2.gz ZFVBWYLMBZGAEQ-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCCC[N@H+](C)CCCNC(=O)c1ccc(C)o1 ZINC001233605561 818657496 /nfs/dbraw/zinc/65/74/96/818657496.db2.gz PXXXQCIJOMCOHG-UHFFFAOYSA-N 1 1 292.423 3.386 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(F)=C1CCCC1 ZINC001233682897 818680266 /nfs/dbraw/zinc/68/02/66/818680266.db2.gz KTEJLJZCSZOPFC-OAHLLOKOSA-N 1 1 294.414 3.283 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)C[C@@H]1C=CCC1 ZINC001233760511 818699361 /nfs/dbraw/zinc/69/93/61/818699361.db2.gz ZQDJQNUKSUHAIO-JKSUJKDBSA-N 1 1 278.440 3.136 20 30 CGEDMO CC[N@H+]1CCC[C@H](Oc2ccc(Cl)c(C#N)c2)C1 ZINC001233924272 818732067 /nfs/dbraw/zinc/73/20/67/818732067.db2.gz NXQNBZDPTRRHAM-ZDUSSCGKSA-N 1 1 264.756 3.075 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H](Oc2ccc3cc(C#N)[nH]c3c2)C1 ZINC001233994787 818749518 /nfs/dbraw/zinc/74/95/18/818749518.db2.gz WLSGCAKSIOYKBG-INIZCTEOSA-N 1 1 283.375 3.291 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC1(C)CCCC1 ZINC001234077611 818772481 /nfs/dbraw/zinc/77/24/81/818772481.db2.gz CBHOOHJUMZZXBD-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N(C)C[C@H]1CC[N@H+]1CC1CCC1 ZINC001234555362 818880981 /nfs/dbraw/zinc/88/09/81/818880981.db2.gz TYOMNMOHYJGHIS-CQSZACIVSA-N 1 1 298.858 3.098 20 30 CGEDMO C=CC(C)(C)CC(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CC(C)C1 ZINC001234554476 818881342 /nfs/dbraw/zinc/88/13/42/818881342.db2.gz JXIHPYIZYUSAGE-GPANFISMSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1CC/C=C\CC ZINC001234604696 818890225 /nfs/dbraw/zinc/89/02/25/818890225.db2.gz TXVYIFDMCOOOSK-MWWKQMNYSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)CCCNC(=O)/C(C)=C\CC ZINC001234946414 818960431 /nfs/dbraw/zinc/96/04/31/818960431.db2.gz XCWCAGQYAUIQMK-LTBFUDJGSA-N 1 1 266.429 3.136 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc3cccc(F)c3[nH]2)C1 ZINC001235249780 819047894 /nfs/dbraw/zinc/04/78/94/819047894.db2.gz VNLJWGLHRUTQML-GFCCVEGCSA-N 1 1 256.324 3.152 20 30 CGEDMO CC1(C#N)CC[NH+](Cc2cc3cccc(F)c3[nH]2)CC1 ZINC001235249674 819048698 /nfs/dbraw/zinc/04/86/98/819048698.db2.gz UUGYXAUHNHXXCQ-UHFFFAOYSA-N 1 1 271.339 3.433 20 30 CGEDMO C=CCCCCCCCN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001235256732 819054249 /nfs/dbraw/zinc/05/42/49/819054249.db2.gz SVBKXWDAVVONPB-JKSUJKDBSA-N 1 1 250.430 3.197 20 30 CGEDMO CCCCCCCCCCN1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001235264340 819057667 /nfs/dbraw/zinc/05/76/67/819057667.db2.gz WYXKOFYOAVXSLN-CVEARBPZSA-N 1 1 252.446 3.421 20 30 CGEDMO N#CCC[N@@H+](Cc1ccccc1CC#N)C1CCCC1 ZINC001235515855 819112132 /nfs/dbraw/zinc/11/21/32/819112132.db2.gz COINCQKHSCHKRZ-UHFFFAOYSA-N 1 1 267.376 3.411 20 30 CGEDMO C=CCCC[N@H+](C)CCCNC(=O)C[C@@H](C)C(C)C ZINC001235543232 819119485 /nfs/dbraw/zinc/11/94/85/819119485.db2.gz BEJVFEZXHZOFTG-OAHLLOKOSA-N 1 1 268.445 3.073 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCNC(=O)CCCC(C)(C)C ZINC001235729051 819155613 /nfs/dbraw/zinc/15/56/13/819155613.db2.gz HNVDGBYCTRCAOC-UHFFFAOYSA-N 1 1 288.863 3.393 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCNC(=O)CCCC(C)(C)C ZINC001235729051 819155612 /nfs/dbraw/zinc/15/56/12/819155612.db2.gz HNVDGBYCTRCAOC-UHFFFAOYSA-N 1 1 288.863 3.393 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc3sc(C)nc3c2)C1 ZINC001235861740 819189475 /nfs/dbraw/zinc/18/94/75/819189475.db2.gz DSPTXOBDHCNAOB-ZDUSSCGKSA-N 1 1 270.401 3.450 20 30 CGEDMO C#CCCCN(Cc1cc(F)ccc1C)C1CC[NH2+]CC1 ZINC001236509180 819508565 /nfs/dbraw/zinc/50/85/65/819508565.db2.gz JBLZEGUBDZDSHM-UHFFFAOYSA-N 1 1 288.410 3.102 20 30 CGEDMO C[N@@H+](Cc1ccc(-c2ccc(C#N)cc2F)nc1)C1CC1 ZINC001236527080 819518584 /nfs/dbraw/zinc/51/85/84/819518584.db2.gz KTWANJXTYGXBKD-UHFFFAOYSA-N 1 1 281.334 3.354 20 30 CGEDMO C=CC[NH+]1CCN(Cc2cccc(OC(C)(C)C)c2)CC1 ZINC001237101311 819666686 /nfs/dbraw/zinc/66/66/86/819666686.db2.gz WTXXVEZLMGTWPI-UHFFFAOYSA-N 1 1 288.435 3.168 20 30 CGEDMO C=CCN1CC[NH+](Cc2cccc(OC(C)(C)C)c2)CC1 ZINC001237101311 819666692 /nfs/dbraw/zinc/66/66/92/819666692.db2.gz WTXXVEZLMGTWPI-UHFFFAOYSA-N 1 1 288.435 3.168 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1ccc(Cl)nc1OC ZINC001237252363 819710511 /nfs/dbraw/zinc/71/05/11/819710511.db2.gz JJUDPUAWVYPWJB-UHFFFAOYSA-N 1 1 254.761 3.142 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(Cl)nc1OC ZINC001237252363 819710515 /nfs/dbraw/zinc/71/05/15/819710515.db2.gz JJUDPUAWVYPWJB-UHFFFAOYSA-N 1 1 254.761 3.142 20 30 CGEDMO CC[C@H](C)[N@@H+](C)Cc1cn(C)c2ccc(C#N)cc12 ZINC001237469728 819759342 /nfs/dbraw/zinc/75/93/42/819759342.db2.gz YDKJUCPNICMWIW-LBPRGKRZSA-N 1 1 255.365 3.280 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2cn(C)c3ccc(C#N)cc23)[C@@H](C)C1 ZINC001237471891 819759703 /nfs/dbraw/zinc/75/97/03/819759703.db2.gz JTIIEAIATNTETC-XJKSGUPXSA-N 1 1 297.402 3.049 20 30 CGEDMO CC(C)[C@H]1CCC[N@H+]1Cc1cc(C#N)c(F)cc1F ZINC001237528477 819771499 /nfs/dbraw/zinc/77/14/99/819771499.db2.gz BJUFTTSUXUHIBM-OAHLLOKOSA-N 1 1 264.319 3.457 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cnc(C)c(Br)c1 ZINC001237554112 819778108 /nfs/dbraw/zinc/77/81/08/819778108.db2.gz CCZISVKAQANJHK-UHFFFAOYSA-N 1 1 281.197 3.327 20 30 CGEDMO N#Cc1ccc2nc(C[N@H+]3CCCC4(CCCC4)C3)cn2c1 ZINC001237605793 819786045 /nfs/dbraw/zinc/78/60/45/819786045.db2.gz BNWURWTYIZFWOE-UHFFFAOYSA-N 1 1 294.402 3.362 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cccc3nccc(C)c23)C1 ZINC001237628369 819791474 /nfs/dbraw/zinc/79/14/74/819791474.db2.gz FOYQIFUXHZSAGD-OAHLLOKOSA-N 1 1 264.372 3.388 20 30 CGEDMO COc1cc(-c2ccc[nH]2)[nH]c1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001237874160 819866756 /nfs/dbraw/zinc/86/67/56/819866756.db2.gz FBIFTTKVNAEWBE-ZDUSSCGKSA-N 1 1 298.390 3.144 20 30 CGEDMO COc1cc(-c2ccc[nH]2)[nH]c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001237874160 819866767 /nfs/dbraw/zinc/86/67/67/819866767.db2.gz FBIFTTKVNAEWBE-ZDUSSCGKSA-N 1 1 298.390 3.144 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cccc(OCC(=O)OCC)c1 ZINC001237918891 819881170 /nfs/dbraw/zinc/88/11/70/819881170.db2.gz OIFDTEBYVHBMHO-UHFFFAOYSA-N 1 1 291.391 3.027 20 30 CGEDMO N#Cc1ccc(C[NH+]2CC(c3cccnc3)C2)c(Cl)c1 ZINC001238086389 819928337 /nfs/dbraw/zinc/92/83/37/819928337.db2.gz CZCPAPRMRGAHCU-UHFFFAOYSA-N 1 1 283.762 3.206 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCc3cccc(O)c3C2)ccc1Cl ZINC001238198676 819954094 /nfs/dbraw/zinc/95/40/94/819954094.db2.gz MCWYCJQTWGEWPU-UHFFFAOYSA-N 1 1 298.773 3.476 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCc3cccc(O)c3C2)ccc1Cl ZINC001238198676 819954098 /nfs/dbraw/zinc/95/40/98/819954098.db2.gz MCWYCJQTWGEWPU-UHFFFAOYSA-N 1 1 298.773 3.476 20 30 CGEDMO CC[N@H+]1CCN(Cc2ccc(Cl)c(C#N)c2)C(C)(C)C1 ZINC001238197084 819954401 /nfs/dbraw/zinc/95/44/01/819954401.db2.gz XYKQRFQZYZJLIK-UHFFFAOYSA-N 1 1 291.826 3.128 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cccc(F)c2OC(C)C)C1 ZINC001238329065 819975895 /nfs/dbraw/zinc/97/58/95/819975895.db2.gz PEUKNNYPOLNIKO-CQSZACIVSA-N 1 1 275.367 3.458 20 30 CGEDMO C#CC[N@@H+](C)Cc1cc(C)cc(Br)c1OCC ZINC001238385530 819984921 /nfs/dbraw/zinc/98/49/21/819984921.db2.gz FDVKHYWXWVDARW-UHFFFAOYSA-N 1 1 296.208 3.221 20 30 CGEDMO C#CC[N@H+](C)Cc1cc(C)cc(Br)c1OCC ZINC001238385530 819984922 /nfs/dbraw/zinc/98/49/22/819984922.db2.gz FDVKHYWXWVDARW-UHFFFAOYSA-N 1 1 296.208 3.221 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(OCC)ccc2C)C1 ZINC001238705802 820091130 /nfs/dbraw/zinc/09/11/30/820091130.db2.gz AXUDVVUJNXUHDO-HNNXBMFYSA-N 1 1 257.377 3.239 20 30 CGEDMO CSc1ncc(C)cc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001238717371 820099331 /nfs/dbraw/zinc/09/93/31/820099331.db2.gz DGZYBYOUYHSFTB-XMQYKBBCSA-N 1 1 287.432 3.379 20 30 CGEDMO CCc1cc(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)ccc1C#N ZINC001238760336 820110141 /nfs/dbraw/zinc/11/01/41/820110141.db2.gz HWHJQFNQDIZROR-FUHWJXTLSA-N 1 1 284.403 3.122 20 30 CGEDMO CCc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)ccc1C#N ZINC001238760861 820110295 /nfs/dbraw/zinc/11/02/95/820110295.db2.gz QMTFQOMAPKFXDL-CALCHBBNSA-N 1 1 254.377 3.353 20 30 CGEDMO CCc1cc(C[N@@H+]2CCCC[C@H]2C(C)=O)ccc1C#N ZINC001238769795 820112627 /nfs/dbraw/zinc/11/26/27/820112627.db2.gz VBNPSXKXSCKZQC-KRWDZBQOSA-N 1 1 270.376 3.064 20 30 CGEDMO CCc1cc(C[N@H+]2CCCC[C@H]2C(C)=O)ccc1C#N ZINC001238769795 820112632 /nfs/dbraw/zinc/11/26/32/820112632.db2.gz VBNPSXKXSCKZQC-KRWDZBQOSA-N 1 1 270.376 3.064 20 30 CGEDMO C[C@H](C#N)c1ccc(-c2ccc(C[NH+]3CC(O)C3)cc2)cc1 ZINC001243640967 823473324 /nfs/dbraw/zinc/47/33/24/823473324.db2.gz ABGBFHMDKNRNIN-CQSZACIVSA-N 1 1 292.382 3.157 20 30 CGEDMO C=C/C(=[NH+]\COC)c1ccc(N(C)Cc2ccccc2)nc1 ZINC001239656267 820493901 /nfs/dbraw/zinc/49/39/01/820493901.db2.gz HQWAXUXGLWJADF-LVZFUZTISA-N 1 1 295.386 3.297 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cncnc2)cc1 ZINC001240378303 821003450 /nfs/dbraw/zinc/00/34/50/821003450.db2.gz DSYHARHFGREITG-KRWDZBQOSA-N 1 1 265.360 3.467 20 30 CGEDMO C[N@@H+]1CC=C(c2nccc(-c3ccccc3)c2C#N)CC1 ZINC001241307521 821720196 /nfs/dbraw/zinc/72/01/96/821720196.db2.gz IFUIQRSLQJXZPM-UHFFFAOYSA-N 1 1 275.355 3.339 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3ccccc3)CC2)nc1F ZINC001241502360 821904240 /nfs/dbraw/zinc/90/42/40/821904240.db2.gz HECSQBDGIRZKBA-UHFFFAOYSA-N 1 1 293.345 3.382 20 30 CGEDMO Cc1cc(N)[nH+]cc1-c1ccccc1C1(C#N)CCOCC1 ZINC001242096152 822349902 /nfs/dbraw/zinc/34/99/02/822349902.db2.gz YFQRUEWTOFDZMY-UHFFFAOYSA-N 1 1 293.370 3.211 20 30 CGEDMO C=C(C)CCC(=O)N1c2ccc(C)cc2[C@H]2C[N@@H+](C)CC[C@H]21 ZINC001339012917 936344247 /nfs/dbraw/zinc/34/42/47/936344247.db2.gz ULKDHNBASIDVAH-SJLPKXTDSA-N 1 1 298.430 3.486 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001340048226 936396043 /nfs/dbraw/zinc/39/60/43/936396043.db2.gz APJCEFZMIXLEOR-ZDUSSCGKSA-N 1 1 255.365 3.318 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)c1 ZINC001341122172 936428780 /nfs/dbraw/zinc/42/87/80/936428780.db2.gz STUOUHSZRKANNC-CQSZACIVSA-N 1 1 299.324 3.221 20 30 CGEDMO N#Cc1cncc(C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)c1 ZINC001341122172 936428782 /nfs/dbraw/zinc/42/87/82/936428782.db2.gz STUOUHSZRKANNC-CQSZACIVSA-N 1 1 299.324 3.221 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cnc3ccc(C)cc3c2)C1 ZINC001345030095 936798200 /nfs/dbraw/zinc/79/82/00/936798200.db2.gz NCLLPBKQSIGEFW-QGZVFWFLSA-N 1 1 282.387 3.320 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC001347840294 936898662 /nfs/dbraw/zinc/89/86/62/936898662.db2.gz RTJBZOAOPLCLBT-HNNXBMFYSA-N 1 1 261.413 3.031 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)C1CCC1 ZINC001480324077 937045838 /nfs/dbraw/zinc/04/58/38/937045838.db2.gz OGKHMVZCRDFBKE-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)c1cccc(C2CC2)c1 ZINC001481019360 926860507 /nfs/dbraw/zinc/86/05/07/926860507.db2.gz QDPYQPYKUIGUQD-UHFFFAOYSA-N 1 1 286.419 3.192 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CC[N@H+](C[C@H](C)CC(C)C)C1 ZINC001481083460 926882842 /nfs/dbraw/zinc/88/28/42/926882842.db2.gz NETKWFKRZVLUIT-CVEARBPZSA-N 1 1 280.456 3.073 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](CNC(=O)CCCCC(C)(C)C)C1 ZINC001481093131 926883306 /nfs/dbraw/zinc/88/33/06/926883306.db2.gz AQMBYQXJMPUIGG-INIZCTEOSA-N 1 1 292.467 3.054 20 30 CGEDMO C=C(C)CCC(=O)N(CCC)[C@@H]1CC[N@H+](CCCC)C1 ZINC001481399832 926978299 /nfs/dbraw/zinc/97/82/99/926978299.db2.gz GYARXFHNRCARCW-MRXNPFEDSA-N 1 1 280.456 3.456 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)CCCC)C1 ZINC001481483611 927000119 /nfs/dbraw/zinc/00/01/19/927000119.db2.gz DLCHSCLUVHZHEB-HOTGVXAUSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCN(C(=O)CC2(C)CCCCC2)C1 ZINC001481489949 927003578 /nfs/dbraw/zinc/00/35/78/927003578.db2.gz BYJNWSPDDABBOO-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCN(C(=O)C2CCC(C)(C)CC2)C1 ZINC001481509912 927008458 /nfs/dbraw/zinc/00/84/58/927008458.db2.gz RPWLSWODOQPNHA-HNNXBMFYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC(=O)N[C@H]1CCC[N@H+](CC/C=C/CCC)C1 ZINC001481532449 927016416 /nfs/dbraw/zinc/01/64/16/927016416.db2.gz KYGHBUOSFXNNOI-WAVCKPEOSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H](NC(=O)c2ccc(C=C)cc2)C1 ZINC001481537522 927019197 /nfs/dbraw/zinc/01/91/97/927019197.db2.gz MAUKMOYENZVCLY-SFHVURJKSA-N 1 1 298.430 3.490 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)CC(C)(C)C ZINC001481677703 927054541 /nfs/dbraw/zinc/05/45/41/927054541.db2.gz JRWCYCDVXURRRO-PMPSAXMXSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001481700097 927062487 /nfs/dbraw/zinc/06/24/87/927062487.db2.gz GYUNOOOFWHUNPO-UONOGXRCSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)CCCC2CCCCC2)C1 ZINC001481749577 927079074 /nfs/dbraw/zinc/07/90/74/927079074.db2.gz AFDMZOVOQSWUJF-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](N(CC)C(=O)C2=CCCC2)C1 ZINC001481763984 927083574 /nfs/dbraw/zinc/08/35/74/927083574.db2.gz JIRHGBMMHJEOCJ-RDJZCZTQSA-N 1 1 290.451 3.374 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)c1ccccc1F ZINC001482576072 927300206 /nfs/dbraw/zinc/30/02/06/927300206.db2.gz AGCZRJOQYOHVIW-CQSZACIVSA-N 1 1 292.398 3.184 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001482598022 927317600 /nfs/dbraw/zinc/31/76/00/927317600.db2.gz FGKAJLXETBAXNV-QGZVFWFLSA-N 1 1 292.467 3.479 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N(C)CC[N@@H+](C)CCC(C)C ZINC001482625041 927329691 /nfs/dbraw/zinc/32/96/91/927329691.db2.gz GXZVVRDFVQBFKE-MRXNPFEDSA-N 1 1 268.445 3.025 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCCC[C@H]1CC ZINC001482639642 927332273 /nfs/dbraw/zinc/33/22/73/927332273.db2.gz PSGVXHFIZGQSMW-HZPDHXFCSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)[C@H]1CCCC[C@@H]1CC ZINC001482639641 927332737 /nfs/dbraw/zinc/33/27/37/927332737.db2.gz PSGVXHFIZGQSMW-HOTGVXAUSA-N 1 1 280.456 3.169 20 30 CGEDMO CC#CC[N@@H+](C)CCN(C)C(=O)[C@H](C)CC1CCCCC1 ZINC001482645964 927335766 /nfs/dbraw/zinc/33/57/66/927335766.db2.gz NATHUGNPLRYWBH-MRXNPFEDSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)C1C=CC=CC=C1 ZINC001483344061 927486660 /nfs/dbraw/zinc/48/66/60/927486660.db2.gz OPYFLQYAXZMESB-HZPDHXFCSA-N 1 1 288.435 3.076 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)c1cc(F)ccc1C ZINC001483368012 927491066 /nfs/dbraw/zinc/49/10/66/927491066.db2.gz IHXBONMHYPJSBC-CQSZACIVSA-N 1 1 292.398 3.150 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001483388540 927495979 /nfs/dbraw/zinc/49/59/79/927495979.db2.gz MRILRQWFVKCBIR-MWDXBVQZSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)CC1(C)CCCCC1 ZINC001483664910 927561858 /nfs/dbraw/zinc/56/18/58/927561858.db2.gz DNJFPIRLEDJMGT-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(Cl)c1 ZINC001483694669 927578488 /nfs/dbraw/zinc/57/84/88/927578488.db2.gz CXHJKQYXZQWVIN-HNNXBMFYSA-N 1 1 292.810 3.110 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCCC)C1 ZINC001483802305 927625008 /nfs/dbraw/zinc/62/50/08/927625008.db2.gz PEUMPPSERGRRSC-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCCC)C1 ZINC001483803049 927625106 /nfs/dbraw/zinc/62/51/06/927625106.db2.gz YSWHDNZARKPBQY-IRXDYDNUSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@@H]1[C@@H]1CC[N@H+](CCCC)C1 ZINC001483802419 927625861 /nfs/dbraw/zinc/62/58/61/927625861.db2.gz QLJXRPNECAPCAT-IAGOWNOFSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C/C=C(/C)C=C)C2)C1 ZINC001483833125 927632222 /nfs/dbraw/zinc/63/22/22/927632222.db2.gz IKHFNQNGJHIYIY-WWQCUGACSA-N 1 1 288.435 3.009 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N(C)C1C[NH+](CC/C=C/CCC)C1 ZINC001483876508 927639139 /nfs/dbraw/zinc/63/91/39/927639139.db2.gz DSJDWJVAYUWQAM-DOJUMQAQSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)c2occc2C)C1 ZINC001484029414 927664658 /nfs/dbraw/zinc/66/46/58/927664658.db2.gz JTOJEGLTQZDCCD-PBHICJAKSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)c2cc(C)co2)C1 ZINC001484058455 927669958 /nfs/dbraw/zinc/66/99/58/927669958.db2.gz VTHYTEWVSPDSGZ-WMLDXEAASA-N 1 1 290.407 3.137 20 30 CGEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCCC(C)C)C2 ZINC001484391864 927699504 /nfs/dbraw/zinc/69/95/04/927699504.db2.gz YNYPOWLACXIEFR-BJWYYQGGSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC001358074447 937187298 /nfs/dbraw/zinc/18/72/98/937187298.db2.gz PEQVAJYRFXBAGP-NVXWUHKLSA-N 1 1 290.382 3.043 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)C(C)(C)C1CC1 ZINC001484754426 927756072 /nfs/dbraw/zinc/75/60/72/927756072.db2.gz YOKKGDIWIFDTIF-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO CC#CC[N@H+]1Cc2ccc(CNC(=O)[C@@H](C)CCC)cc2C1 ZINC001484872983 927762943 /nfs/dbraw/zinc/76/29/43/927762943.db2.gz HOIAQIDRBCIADB-HNNXBMFYSA-N 1 1 298.430 3.078 20 30 CGEDMO CC#CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H](C)CCC)cc2C1 ZINC001484872983 927762951 /nfs/dbraw/zinc/76/29/51/927762951.db2.gz HOIAQIDRBCIADB-HNNXBMFYSA-N 1 1 298.430 3.078 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@H+](CC(=C)Cl)[C@@H](C)C1 ZINC001484976024 927781061 /nfs/dbraw/zinc/78/10/61/927781061.db2.gz KNGHCAPCRKWOIR-KBPBESRZSA-N 1 1 284.831 3.064 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@@H+](CC(=C)Cl)[C@@H](C)C1 ZINC001484976024 927781071 /nfs/dbraw/zinc/78/10/71/927781071.db2.gz KNGHCAPCRKWOIR-KBPBESRZSA-N 1 1 284.831 3.064 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)C(=C)C ZINC001485065347 927794396 /nfs/dbraw/zinc/79/43/96/927794396.db2.gz JRQCSYNDLBAOCY-MRXNPFEDSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)CC[C@H](C)CC ZINC001485072087 927802008 /nfs/dbraw/zinc/80/20/08/927802008.db2.gz BDVYQJHSTFTOPX-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](CC)CC(C)C ZINC001485071923 927802143 /nfs/dbraw/zinc/80/21/43/927802143.db2.gz ABHHAFSKEPGTIJ-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC1(CC(=O)NC[C@H](C)[N@@H+](C)CCCF)CCCCC1 ZINC001485361555 927854847 /nfs/dbraw/zinc/85/48/47/927854847.db2.gz IEOKZRHLLPQLOU-HNNXBMFYSA-N 1 1 298.446 3.309 20 30 CGEDMO C=CCN(C)CC[N@@H+](CC)CCCc1cccc(C)c1 ZINC001473431762 937199123 /nfs/dbraw/zinc/19/91/23/937199123.db2.gz KNJLSTZLEGTUMQ-UHFFFAOYSA-N 1 1 274.452 3.367 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H]1CCCCC[N@@H+]1CC(C)C ZINC001485476226 927876894 /nfs/dbraw/zinc/87/68/94/927876894.db2.gz KFGRCPPXHOPCIC-MRXNPFEDSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](C/C=C/Cl)CC1(C)C ZINC001485568725 927887805 /nfs/dbraw/zinc/88/78/05/927887805.db2.gz GJXZWBORZGLIDX-SBDDDAINSA-N 1 1 298.858 3.168 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)CC1(C)C ZINC001485568725 927887810 /nfs/dbraw/zinc/88/78/10/927887810.db2.gz GJXZWBORZGLIDX-SBDDDAINSA-N 1 1 298.858 3.168 20 30 CGEDMO C=CCC[N@H+]1C[C@H](NC(=O)C2(CC=C)CCC2)C(C)(C)C1 ZINC001485575747 927894038 /nfs/dbraw/zinc/89/40/38/927894038.db2.gz SBOQWLBGZUHINW-HNNXBMFYSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCCC[N@H+]1CCCC2(CN(C(=O)CC3CCC3)C2)C1 ZINC001485660456 927899723 /nfs/dbraw/zinc/89/97/23/927899723.db2.gz QDSYPYLUJZRURW-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NCC[C@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001494043608 927901555 /nfs/dbraw/zinc/90/15/55/927901555.db2.gz SLBSDODYCZNLMK-IRXDYDNUSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC([N@H+](C)CC(C)C)CC1 ZINC001485764386 927915960 /nfs/dbraw/zinc/91/59/60/927915960.db2.gz PKVLYCZCPCETSX-UHFFFAOYSA-N 1 1 280.456 3.168 20 30 CGEDMO CCC1(CC)CC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000094802928 927958544 /nfs/dbraw/zinc/95/85/44/927958544.db2.gz DERLZVMFSMQMHG-UHFFFAOYSA-N 1 1 272.392 3.449 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(C(C)C)ccc2O)C1 ZINC001474602376 937207585 /nfs/dbraw/zinc/20/75/85/937207585.db2.gz QJMAUUKEHAQDHQ-CQSZACIVSA-N 1 1 257.377 3.361 20 30 CGEDMO C#CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)CC(C)(C)C)[C@@H]1C ZINC001486188460 927997053 /nfs/dbraw/zinc/99/70/53/927997053.db2.gz YYQCBRAQBJJIGI-GJZGRUSLSA-N 1 1 292.467 3.051 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)CC(C)(C)C)[C@@H]1C ZINC001486188460 927997067 /nfs/dbraw/zinc/99/70/67/927997067.db2.gz YYQCBRAQBJJIGI-GJZGRUSLSA-N 1 1 292.467 3.051 20 30 CGEDMO C#CCCCCCC(=O)N[C@@H]1CCC[N@H+](CC(C)C)[C@H]1C ZINC001486182185 927998165 /nfs/dbraw/zinc/99/81/65/927998165.db2.gz XMZWDAJACGIMDY-DLBZAZTESA-N 1 1 292.467 3.195 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C(=O)[C@H]1CC1(C)C)C(C)C ZINC001486366658 928009413 /nfs/dbraw/zinc/00/94/13/928009413.db2.gz WAHZBZCEHSRMAY-OAHLLOKOSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)[C@@H]1CC2CCC1CC2)C(C)C ZINC001486380504 928013798 /nfs/dbraw/zinc/01/37/98/928013798.db2.gz JIALDPLSYPEOOH-OFLPRAFFSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C[C@H](CC)CC(=O)NCC1=CC[N@@H+](C[C@H](F)CC)CC1 ZINC001486512781 928031419 /nfs/dbraw/zinc/03/14/19/928031419.db2.gz ALKPRDSTOGQAOH-GDBMZVCRSA-N 1 1 296.430 3.085 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)Cc2cnc(Cl)s2)cc1 ZINC001144568059 928198620 /nfs/dbraw/zinc/19/86/20/928198620.db2.gz JLNLTVXEZZANLN-UHFFFAOYSA-N 1 1 276.792 3.410 20 30 CGEDMO C#Cc1ccc(C[N@@H+](C)Cc2cnc(Cl)s2)cc1 ZINC001144568059 928198631 /nfs/dbraw/zinc/19/86/31/928198631.db2.gz JLNLTVXEZZANLN-UHFFFAOYSA-N 1 1 276.792 3.410 20 30 CGEDMO CC(C)N1CC[C@@H]([NH2+][C@H](C)Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001171204429 928200542 /nfs/dbraw/zinc/20/05/42/928200542.db2.gz XRYMRVIFGLNDRI-GPMSIDNRSA-N 1 1 299.462 3.198 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)C2CC3(CC3)C2)C1 ZINC001494853431 928203282 /nfs/dbraw/zinc/20/32/82/928203282.db2.gz FBIOYIYJXCUQPK-ZBFHGGJFSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C[C@@H](COC)[NH2+]Cc1c(Cl)oc2ccccc21 ZINC001325620400 928255209 /nfs/dbraw/zinc/25/52/09/928255209.db2.gz XCFUOJYWEPBNIL-JTQLQIEISA-N 1 1 265.740 3.377 20 30 CGEDMO C=C[C@H](CC)CC(=O)N(CC)[C@@H]1CC[N@H+](C/C=C\Cl)C1 ZINC001494911407 928277302 /nfs/dbraw/zinc/27/73/02/928277302.db2.gz UNKBZSIUZMIWNC-UEDYQVLESA-N 1 1 298.858 3.264 20 30 CGEDMO C=C[C@H](CC)CC(=O)N(CC)[C@@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC001494911407 928277317 /nfs/dbraw/zinc/27/73/17/928277317.db2.gz UNKBZSIUZMIWNC-UEDYQVLESA-N 1 1 298.858 3.264 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@H](C)CCC=C(C)C ZINC001488663266 928293947 /nfs/dbraw/zinc/29/39/47/928293947.db2.gz NQGDVAAEHVVOTD-IAGOWNOFSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC1(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC(C)C)CCCC1 ZINC001488702957 928296900 /nfs/dbraw/zinc/29/69/00/928296900.db2.gz MLBYWAKQUJNHQI-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CC(C)(C)C2CC2)[C@H]1CC ZINC001489114021 928315339 /nfs/dbraw/zinc/31/53/39/928315339.db2.gz KKUAHMPEHKTPOE-JKSUJKDBSA-N 1 1 292.467 3.358 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@](C)(CC)CCC)[C@H]1CC ZINC001489139369 928317443 /nfs/dbraw/zinc/31/74/43/928317443.db2.gz OQIAPGGRKSVFFU-JZXOWHBKSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@H+](CCC)CC(C)(C)C1 ZINC001489347938 928329506 /nfs/dbraw/zinc/32/95/06/928329506.db2.gz RIUXJHDYBMZKGU-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO CC#CCCCC(=O)NCCC[N@@H+](C)CC1CCCCC1 ZINC001490237745 928336842 /nfs/dbraw/zinc/33/68/42/928336842.db2.gz RNTJZDHQZGZGJR-UHFFFAOYSA-N 1 1 292.467 3.198 20 30 CGEDMO C=CC(C)(C)C(=O)NCCC[N@H+](CC)CC1CC(C)C1 ZINC001490341350 928351231 /nfs/dbraw/zinc/35/12/31/928351231.db2.gz NMBMYCGCVXQUTI-UHFFFAOYSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccccc2C)C1 ZINC001490517963 928367585 /nfs/dbraw/zinc/36/75/85/928367585.db2.gz YYXPQMDVLGRODX-JKSUJKDBSA-N 1 1 286.419 3.154 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)C(C)(C)CCC)C1 ZINC001490559365 928372758 /nfs/dbraw/zinc/37/27/58/928372758.db2.gz QGBRNWMOTNCQFD-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC(C)(C)CC(=O)NCC[N@H+](CC)CC1CC(C)(C)C1 ZINC001492962560 937244676 /nfs/dbraw/zinc/24/46/76/937244676.db2.gz MOKMJLRYPPBQFR-UHFFFAOYSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C)SC)CC1 ZINC001327111870 928603121 /nfs/dbraw/zinc/60/31/21/928603121.db2.gz HVWOGBVEJRWVLK-HUUCEWRRSA-N 1 1 298.496 3.065 20 30 CGEDMO N#C[C@@H]1CC=C(Nc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC001212861439 928650563 /nfs/dbraw/zinc/65/05/63/928650563.db2.gz SVLISSLICPCOEH-OAHLLOKOSA-N 1 1 297.402 3.138 20 30 CGEDMO C#C[C@H]1CCCC[N@@H+]1Cc1ccccc1OC(C)C ZINC001460917574 928748430 /nfs/dbraw/zinc/74/84/30/928748430.db2.gz TWPUZOUSJHGTKK-INIZCTEOSA-N 1 1 257.377 3.462 20 30 CGEDMO CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)C(CC)CC ZINC001491213870 928844064 /nfs/dbraw/zinc/84/40/64/928844064.db2.gz LACQHTCUCADWBL-DOTOQJQBSA-N 1 1 292.467 3.053 20 30 CGEDMO CCCCCCCC(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC001439249925 937315121 /nfs/dbraw/zinc/31/51/21/937315121.db2.gz LTWXRLXFMJJWHE-CABCVRRESA-N 1 1 298.496 3.043 20 30 CGEDMO COC[C@H](C[N@@H+](CCC#N)CCC(C)C)C(C)C ZINC001459610265 937493486 /nfs/dbraw/zinc/49/34/86/937493486.db2.gz PKFZHCZRNDXBDN-HNNXBMFYSA-N 1 1 254.418 3.167 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)Cc1ccccc1SC ZINC001460031522 937511888 /nfs/dbraw/zinc/51/18/88/937511888.db2.gz IHYVJGNZGSLCPL-UHFFFAOYSA-N 1 1 278.465 3.348 20 30 CGEDMO C=CCN(C)CC[N@@H+](CC)Cc1ccccc1SC ZINC001460031522 937511891 /nfs/dbraw/zinc/51/18/91/937511891.db2.gz IHYVJGNZGSLCPL-UHFFFAOYSA-N 1 1 278.465 3.348 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)Cc1ccccc1SC ZINC001460031522 937511894 /nfs/dbraw/zinc/51/18/94/937511894.db2.gz IHYVJGNZGSLCPL-UHFFFAOYSA-N 1 1 278.465 3.348 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H]1COC(=O)NC1CCCCC1 ZINC001460071367 937514410 /nfs/dbraw/zinc/51/44/10/937514410.db2.gz PNHYNJQMQXCZNM-MRXNPFEDSA-N 1 1 294.439 3.476 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC001460341959 937527623 /nfs/dbraw/zinc/52/76/23/937527623.db2.gz VRDHZUVOHFZXNK-HNNXBMFYSA-N 1 1 284.403 3.319 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](CC(=O)N(C2CC2)C2CCCC2)C1 ZINC001460364776 937528669 /nfs/dbraw/zinc/52/86/69/937528669.db2.gz SUAJZTGWCGJTPR-OAHLLOKOSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cccc(C(=O)OC)c2)C1 ZINC001460358331 937528895 /nfs/dbraw/zinc/52/88/95/937528895.db2.gz DHZFXBYDYYHYQD-AWEZNQCLSA-N 1 1 273.376 3.261 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC001460373293 937529435 /nfs/dbraw/zinc/52/94/35/937529435.db2.gz YFAZVZNLULXHMX-SJLPKXTDSA-N 1 1 272.436 3.200 20 30 CGEDMO C=CC[N@H+](CCOC1CCCCCC1)[C@@H](C)COC ZINC001460408133 937529521 /nfs/dbraw/zinc/52/95/21/937529521.db2.gz LLSUNJDLSXSPSM-HNNXBMFYSA-N 1 1 269.429 3.249 20 30 CGEDMO C=CCCC[N@H+](CC)CCOc1ccccc1OC ZINC001460522785 937533885 /nfs/dbraw/zinc/53/38/85/937533885.db2.gz BYQBDCIRGOMQST-UHFFFAOYSA-N 1 1 263.381 3.362 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC001460527801 937534062 /nfs/dbraw/zinc/53/40/62/937534062.db2.gz PBEVNFLDHJJBDB-OAHLLOKOSA-N 1 1 283.460 3.035 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC001460693964 937540297 /nfs/dbraw/zinc/54/02/97/937540297.db2.gz SVAOPYWRLYSJKT-RDJZCZTQSA-N 1 1 263.425 3.317 20 30 CGEDMO C=C(CC)C[N@H+]1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001460884902 937550415 /nfs/dbraw/zinc/55/04/15/937550415.db2.gz WRDGRGVJABFVOY-HUUCEWRRSA-N 1 1 294.439 3.141 20 30 CGEDMO N#Cc1ccc(Cl)c(C[N@@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)c1 ZINC001140603207 931958932 /nfs/dbraw/zinc/95/89/32/931958932.db2.gz FKVDYYFFGBAHKS-OCCSQVGLSA-N 1 1 288.778 3.013 20 30 CGEDMO CCc1ccc2c(c1)CC[N@@H+](Cc1cncc(C#N)c1)C2 ZINC001460975073 937557027 /nfs/dbraw/zinc/55/70/27/937557027.db2.gz NPMYDWVKPFRZKS-UHFFFAOYSA-N 1 1 277.371 3.074 20 30 CGEDMO CCc1ccc2c(c1)CC[N@H+](Cc1cncc(C#N)c1)C2 ZINC001460975073 937557029 /nfs/dbraw/zinc/55/70/29/937557029.db2.gz NPMYDWVKPFRZKS-UHFFFAOYSA-N 1 1 277.371 3.074 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@H+]2CC=CC23CCCCC3)CCC1 ZINC001460980963 937558001 /nfs/dbraw/zinc/55/80/01/937558001.db2.gz ORJONXJDOABBOE-OAHLLOKOSA-N 1 1 274.408 3.006 20 30 CGEDMO C#C[C@H](CCCC)Oc1ccc2c(c1)CC[N@H+](C)C2 ZINC001228945942 932057778 /nfs/dbraw/zinc/05/77/78/932057778.db2.gz YJCMMIFEKYSOND-MRXNPFEDSA-N 1 1 257.377 3.245 20 30 CGEDMO C[N@H+]1CCC[C@@H](Oc2ccc3ccc(C#N)cc3c2)C1 ZINC001228970268 932061422 /nfs/dbraw/zinc/06/14/22/932061422.db2.gz SSBLKAJCUAZRTE-QGZVFWFLSA-N 1 1 266.344 3.184 20 30 CGEDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1cccc(C#N)c1Cl ZINC001229069559 932086236 /nfs/dbraw/zinc/08/62/36/932086236.db2.gz KHMPFUSUUJVYAK-VIKVFOODSA-N 1 1 290.794 3.321 20 30 CGEDMO C=CC1(CC(=O)NC2CC[NH+](CCF)CC2)CCCCC1 ZINC001229574878 932174581 /nfs/dbraw/zinc/17/45/81/932174581.db2.gz HFAQDXSQSSEMSN-UHFFFAOYSA-N 1 1 296.430 3.063 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H](CC)CCC)CC1 ZINC001229796220 932485862 /nfs/dbraw/zinc/48/58/62/932485862.db2.gz OLGYJVXMWDEMOR-ZDUSSCGKSA-N 1 1 286.847 3.146 20 30 CGEDMO C=C1CC[NH+](Cc2c(C)nc3scc(C)n23)CC1 ZINC001461903835 937605685 /nfs/dbraw/zinc/60/56/85/937605685.db2.gz QDLPJFOGPABQQE-UHFFFAOYSA-N 1 1 261.394 3.165 20 30 CGEDMO CC[C@H](C#Cc1ccccc1)Oc1ccc2[nH+]c(N)[nH]c2c1 ZINC001230518087 932582503 /nfs/dbraw/zinc/58/25/03/932582503.db2.gz KORVZXMVUZCOFN-CQSZACIVSA-N 1 1 291.354 3.354 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)/C=C(/C)CC)CC1 ZINC001230557893 932588379 /nfs/dbraw/zinc/58/83/79/932588379.db2.gz SUCFFXCFLVQJNN-XUZQSEFNSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC ZINC001230620319 932598740 /nfs/dbraw/zinc/59/87/40/932598740.db2.gz VLKLWBMZWQZLPO-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)c1ccoc1C ZINC001230703750 932611631 /nfs/dbraw/zinc/61/16/31/932611631.db2.gz ZPWPAZPEWUKJSJ-ZFWWWQNUSA-N 1 1 290.407 3.089 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)c1cocc1C ZINC001316599101 932743224 /nfs/dbraw/zinc/74/32/24/932743224.db2.gz AOHBMJVBICFBJP-CABCVRRESA-N 1 1 290.407 3.089 20 30 CGEDMO FC(F)(F)c1cccc(C[NH2+]CC#Cc2ccccc2)n1 ZINC001462258966 937627891 /nfs/dbraw/zinc/62/78/91/937627891.db2.gz ZKKKOGWFEZNVHC-UHFFFAOYSA-N 1 1 290.288 3.242 20 30 CGEDMO C[N@H+](CC#Cc1ccccc1)[C@@H](CO)c1ccc(Cl)cc1 ZINC001462264065 937628718 /nfs/dbraw/zinc/62/87/18/937628718.db2.gz IMCGFCGZWLHVOW-SFHVURJKSA-N 1 1 299.801 3.357 20 30 CGEDMO C[N@@H+](CC#Cc1ccccc1)[C@@H](CO)c1ccc(Cl)cc1 ZINC001462264065 937628719 /nfs/dbraw/zinc/62/87/19/937628719.db2.gz IMCGFCGZWLHVOW-SFHVURJKSA-N 1 1 299.801 3.357 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)CC(C)(C)C)C1 ZINC001491906703 932795893 /nfs/dbraw/zinc/79/58/93/932795893.db2.gz KKKPFWVYLKRJHF-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)C(C)C)C1 ZINC001491929264 932798358 /nfs/dbraw/zinc/79/83/58/932798358.db2.gz NKCOUZSPICWLSU-OAHLLOKOSA-N 1 1 280.456 3.168 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)C(C)(C)CC(C)C ZINC001492175809 932809113 /nfs/dbraw/zinc/80/91/13/932809113.db2.gz LTCQVERNVRIYTO-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](CCC(=C)C)[C@@H]1CC ZINC001316732824 932848987 /nfs/dbraw/zinc/84/89/87/932848987.db2.gz OBKYXLMRZOWTDC-JKSUJKDBSA-N 1 1 278.440 3.278 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cc(F)cc(OCC)c2)C1 ZINC001462369302 937636190 /nfs/dbraw/zinc/63/61/90/937636190.db2.gz SUYNFXQAKCDMMU-AWEZNQCLSA-N 1 1 275.367 3.460 20 30 CGEDMO Cc1ccc(C#N)c(NC[C@@H]2CC[N@H+]2C2CCCCCC2)n1 ZINC001307190688 932926794 /nfs/dbraw/zinc/92/67/94/932926794.db2.gz JDMQOQVHORVGDZ-KRWDZBQOSA-N 1 1 298.434 3.471 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cc(C(=O)OC)c(C(C)C)[nH]2)C1 ZINC001462464004 937642920 /nfs/dbraw/zinc/64/29/20/937642920.db2.gz XSJDVUPEBGVGBI-ZDUSSCGKSA-N 1 1 290.407 3.323 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CCc2ccc(F)cc2F)C1 ZINC001462463666 937643153 /nfs/dbraw/zinc/64/31/53/937643153.db2.gz VSWSMHNSDFIBCK-GFCCVEGCSA-N 1 1 251.320 3.405 20 30 CGEDMO C=CC[N@H+](CCCOC(F)(F)F)Cc1cccc(C#N)c1 ZINC001307440042 932953231 /nfs/dbraw/zinc/95/32/31/932953231.db2.gz KOZCZZKJQQSDIA-UHFFFAOYSA-N 1 1 298.308 3.473 20 30 CGEDMO C#CC[N@@H+](CC1CC1)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC001307587686 932973826 /nfs/dbraw/zinc/97/38/26/932973826.db2.gz CQBWJFHJXYHKOS-ZDUSSCGKSA-N 1 1 272.348 3.309 20 30 CGEDMO C#CCOCC[N@H+](C)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC001307754720 932997390 /nfs/dbraw/zinc/99/73/90/932997390.db2.gz ZCWOXHNNCNDODN-ZDUSSCGKSA-N 1 1 299.336 3.218 20 30 CGEDMO C=CC[N@H+](CCc1ccc(CC)cc1)[C@@H](C)COC ZINC001307923125 933020801 /nfs/dbraw/zinc/02/08/01/933020801.db2.gz DLUPSVVXIIJMMM-HNNXBMFYSA-N 1 1 261.409 3.314 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)N(C)[C@@H]2CCCC[C@@H]2C)C1 ZINC001307915894 933021074 /nfs/dbraw/zinc/02/10/74/933021074.db2.gz ZEOQORXKRUTDIP-GVDBMIGSSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](CCN(C)Cc1ccccc1)C(C)(C)C ZINC001307938583 933024143 /nfs/dbraw/zinc/02/41/43/933024143.db2.gz LPRVJCRFIPOYFH-UHFFFAOYSA-N 1 1 260.425 3.405 20 30 CGEDMO C=C[C@H](CO)[NH2+]Cc1nc(-c2ccccc2Cl)cs1 ZINC001307950888 933025584 /nfs/dbraw/zinc/02/55/84/933025584.db2.gz DRYBYXGPVOMPOC-SNVBAGLBSA-N 1 1 294.807 3.100 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc(C)c1 ZINC001308135355 933055684 /nfs/dbraw/zinc/05/56/84/933055684.db2.gz GZKIWXXGDUULEB-SJORKVTESA-N 1 1 259.393 3.459 20 30 CGEDMO CC(C)[C@H]1C[C@H](N2CCCC2)C[N@@H+]1Cc1ccc(C#N)cc1 ZINC001308151246 933058342 /nfs/dbraw/zinc/05/83/42/933058342.db2.gz KXSYXFLWPKPSQZ-RBUKOAKNSA-N 1 1 297.446 3.253 20 30 CGEDMO CC(C)[C@H]1C[C@H](N2CCCC2)C[N@H+]1Cc1ccc(C#N)cc1 ZINC001308151246 933058345 /nfs/dbraw/zinc/05/83/45/933058345.db2.gz KXSYXFLWPKPSQZ-RBUKOAKNSA-N 1 1 297.446 3.253 20 30 CGEDMO C=CC[C@H](C(=O)OC)[N@H+]1CCC[C@@H](C2CCCC2)C1 ZINC001308157893 933059300 /nfs/dbraw/zinc/05/93/00/933059300.db2.gz QIVXEDMBGKNDBM-HUUCEWRRSA-N 1 1 265.397 3.006 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CCCO2)s1 ZINC001308160986 933061954 /nfs/dbraw/zinc/06/19/54/933061954.db2.gz QSZRPIYLSAQWGF-GJZGRUSLSA-N 1 1 276.405 3.153 20 30 CGEDMO C[N@H+]1C[C@@]23CN([C@@H](C#N)c4ccccc4)C[C@]2(C1)CCCC3 ZINC001308169577 933063335 /nfs/dbraw/zinc/06/33/35/933063335.db2.gz CVULOKGVLMGBCG-GBESFXJTSA-N 1 1 295.430 3.059 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CC[C@H](C)C1 ZINC001308629108 933146167 /nfs/dbraw/zinc/14/61/67/933146167.db2.gz JAVAIIALAIVAGW-LBPRGKRZSA-N 1 1 263.768 3.194 20 30 CGEDMO C=C(C)C[C@@H]([NH2+]CCCC1CCCCC1)C(=O)OC ZINC001308901730 933199230 /nfs/dbraw/zinc/19/92/30/933199230.db2.gz MPPORDYIPZLDTG-OAHLLOKOSA-N 1 1 267.413 3.444 20 30 CGEDMO C#CC[N@H+](C[C@H]1CCCC(C)(C)C1)C1CSC1 ZINC001308905878 933200347 /nfs/dbraw/zinc/20/03/47/933200347.db2.gz BBQKREHLVKMEGL-ZDUSSCGKSA-N 1 1 251.439 3.253 20 30 CGEDMO C=CCC[C@H](CCC)[NH2+][C@H](CC1CCOCC1)C(=O)OC ZINC001308920070 933204916 /nfs/dbraw/zinc/20/49/16/933204916.db2.gz YRLKDDSVWRPGLD-JKSUJKDBSA-N 1 1 297.439 3.069 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CC)CCNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001317475633 933211659 /nfs/dbraw/zinc/21/16/59/933211659.db2.gz NWLBORYCZPUXMD-NCOADZHNSA-N 1 1 292.467 3.215 20 30 CGEDMO Cc1cc(C[N@H+](C)Cc2cc(C#N)cs2)cc(C)n1 ZINC001308957823 933212799 /nfs/dbraw/zinc/21/27/99/933212799.db2.gz HDXPIJYWSSJVMS-UHFFFAOYSA-N 1 1 271.389 3.264 20 30 CGEDMO Cc1cc(C[N@@H+](C)Cc2cc(C#N)cs2)cc(C)n1 ZINC001308957823 933212804 /nfs/dbraw/zinc/21/28/04/933212804.db2.gz HDXPIJYWSSJVMS-UHFFFAOYSA-N 1 1 271.389 3.264 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)[C@H](C)c1ccc(C)o1 ZINC001317489582 933254528 /nfs/dbraw/zinc/25/45/28/933254528.db2.gz LTZSLDXHZSKBPP-OAHLLOKOSA-N 1 1 292.423 3.096 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C)c(C)o1 ZINC001317497643 933267048 /nfs/dbraw/zinc/26/70/48/933267048.db2.gz SYUYTWFEMATOBE-HNNXBMFYSA-N 1 1 290.407 3.057 20 30 CGEDMO C=C(C)c1cccc(NC(=O)NCC[N@@H+]2CC[C@@H](C)C2)c1 ZINC001311298403 933287007 /nfs/dbraw/zinc/28/70/07/933287007.db2.gz MCEHDRWMDCJBBT-CQSZACIVSA-N 1 1 287.407 3.183 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CCC[N@H+]2CC2CC2)CCCC1 ZINC001317514606 933318215 /nfs/dbraw/zinc/31/82/15/933318215.db2.gz XSZHVINWBFJZMA-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)/C(C)=C/CC)C1 ZINC001316939449 933460339 /nfs/dbraw/zinc/46/03/39/933460339.db2.gz JQRYPAUKZHRGEF-IYSULOHHSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCC(C)C)C1 ZINC001317100728 933472835 /nfs/dbraw/zinc/47/28/35/933472835.db2.gz KYVOWUTZQXHYKB-SJORKVTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]2[C@@H](NC(=O)C=C(C)C)C(C)(C)[C@@H]21 ZINC001316719249 933477585 /nfs/dbraw/zinc/47/75/85/933477585.db2.gz LYYFQJHXGGYRFS-DJIMGWMZSA-N 1 1 290.451 3.134 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](CC)C(C)C)C[C@@H]2C1 ZINC001316758683 933477689 /nfs/dbraw/zinc/47/76/89/933477689.db2.gz LDBJPZGEKBWQFH-ZACQAIPSSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@H+](CCCC)[C@@H]1CC ZINC001316737425 933477734 /nfs/dbraw/zinc/47/77/34/933477734.db2.gz ZWGXHAHATUOZIW-LSDHHAIUSA-N 1 1 266.429 3.112 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC2(C)C)C1 ZINC001317032678 933515247 /nfs/dbraw/zinc/51/52/47/933515247.db2.gz HCHCPWSKILKYAW-HOTGVXAUSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)=C2CCCC2)C1 ZINC001317032665 933516706 /nfs/dbraw/zinc/51/67/06/933516706.db2.gz GZMCDIIVCHAESK-INIZCTEOSA-N 1 1 290.451 3.233 20 30 CGEDMO C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)C[C@H](C)CCC)C1 ZINC001317035332 933519462 /nfs/dbraw/zinc/51/94/62/933519462.db2.gz KQTYXCNMQVKFLL-IAGOWNOFSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCCC)C1 ZINC001317100213 933530843 /nfs/dbraw/zinc/53/08/43/933530843.db2.gz HHZRRVWXHJWAPF-CABCVRRESA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCCC)C1 ZINC001317100213 933530849 /nfs/dbraw/zinc/53/08/49/933530849.db2.gz HHZRRVWXHJWAPF-CABCVRRESA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)C2CCC2)C1 ZINC001317140830 933541042 /nfs/dbraw/zinc/54/10/42/933541042.db2.gz SNJYMPOOSVEWNL-CVEARBPZSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001317165607 933545973 /nfs/dbraw/zinc/54/59/73/933545973.db2.gz JHVLZAPPUNVMCQ-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C)C1CCCC1 ZINC001317177124 933548099 /nfs/dbraw/zinc/54/80/99/933548099.db2.gz RTNYRQTWVJTAKR-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CCCCCC)C1 ZINC001317208596 933555111 /nfs/dbraw/zinc/55/51/11/933555111.db2.gz ZKSHBVWGTTVUKK-IRXDYDNUSA-N 1 1 292.467 3.197 20 30 CGEDMO C#CCN(C(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)C1CCCCC1 ZINC001464648705 937694052 /nfs/dbraw/zinc/69/40/52/937694052.db2.gz IQNMYNYDJFOSHJ-XHSDSOJGSA-N 1 1 290.451 3.042 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]([N@@H+](C)CC=C(C)C)C1 ZINC001317374726 933579364 /nfs/dbraw/zinc/57/93/64/933579364.db2.gz GDMZQLIHRJLDNR-MRXNPFEDSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CC1(CC(=O)NC[C@H]2CCC[N@@H+]2CC)CCCCC1 ZINC001317508494 933606385 /nfs/dbraw/zinc/60/63/85/933606385.db2.gz CDPMEYZOOOFRON-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC1(CC(=O)NC[C@@H]2CCC[N@@H+]2CC)CCCCC1 ZINC001317508492 933607101 /nfs/dbraw/zinc/60/71/01/933607101.db2.gz CDPMEYZOOOFRON-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(Cl)C[N@H+](CCC)CCNC(=O)c1ccc(C)cc1 ZINC001317547884 933617491 /nfs/dbraw/zinc/61/74/91/933617491.db2.gz QUMBFWBHGXFIFS-UHFFFAOYSA-N 1 1 294.826 3.189 20 30 CGEDMO C=C(Cl)C[N@@H+](CCC)CCNC(=O)c1ccc(C)cc1 ZINC001317547884 933617492 /nfs/dbraw/zinc/61/74/92/933617492.db2.gz QUMBFWBHGXFIFS-UHFFFAOYSA-N 1 1 294.826 3.189 20 30 CGEDMO C=C(C)C[N@@H+](CCNC(=O)C12CCC(CC1)CC2)C1CC1 ZINC001317561286 933619449 /nfs/dbraw/zinc/61/94/49/933619449.db2.gz JASYGXWAXDXLLG-UHFFFAOYSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)[C@H]1CCCC[C@@H]1CC)C1CC1 ZINC001317559374 933620620 /nfs/dbraw/zinc/62/06/20/933620620.db2.gz WGKXZFLMLUILHP-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC1(CC(=O)NCC[N@H+](CC)C2CC2)CCCCC1 ZINC001317557858 933620711 /nfs/dbraw/zinc/62/07/11/933620711.db2.gz NPTAOESUSKXMDR-UHFFFAOYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@H+](CCNC(=O)C(C)(C)CC(C)C)C1CC1 ZINC001317558338 933620874 /nfs/dbraw/zinc/62/08/74/933620874.db2.gz GGXXXVTVOUVAEV-UHFFFAOYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H](C)CC)c1ccccc1 ZINC001317714272 933636113 /nfs/dbraw/zinc/63/61/13/933636113.db2.gz OTYSQIISSPXEDX-SWLSCSKDSA-N 1 1 294.826 3.232 20 30 CGEDMO C=C(C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001317734033 933641067 /nfs/dbraw/zinc/64/10/67/933641067.db2.gz ACCFHRLSNPJBKJ-CALCHBBNSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)C(CC)CC)C1 ZINC001317841639 933656382 /nfs/dbraw/zinc/65/63/82/933656382.db2.gz GHAMUMCMLCSFPQ-JKSUJKDBSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)C2CCCC2)C1 ZINC001317856056 933659294 /nfs/dbraw/zinc/65/92/94/933659294.db2.gz CBJMMIRSINUDQL-CVEARBPZSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)c2ccccc2)C1 ZINC001317957312 933670633 /nfs/dbraw/zinc/67/06/33/933670633.db2.gz ZXTWSDWRTXQQHP-RDJZCZTQSA-N 1 1 286.419 3.236 20 30 CGEDMO C=CCCCCC[NH+]1CC(NC(=O)[C@H]2CCC[C@H](C)C2)C1 ZINC001318058577 933681605 /nfs/dbraw/zinc/68/16/05/933681605.db2.gz XZHYFHMLIGAQAW-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[NH+]1CC(NC(=O)[C@@H](C)[C@H](C)C(C)(C)C)C1 ZINC001318069745 933684104 /nfs/dbraw/zinc/68/41/04/933684104.db2.gz MYBCXUBNTWKEIJ-KBPBESRZSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCC1(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC(C)C)CCC1 ZINC001318215565 933695493 /nfs/dbraw/zinc/69/54/93/933695493.db2.gz HDADUNAJAOLULW-HOTGVXAUSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](CC)c1ccccc1 ZINC001318223724 933698758 /nfs/dbraw/zinc/69/87/58/933698758.db2.gz JKRMVTPCNDCRKL-NJAFHUGGSA-N 1 1 298.430 3.041 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](CC)c1ccccc1 ZINC001318223724 933698765 /nfs/dbraw/zinc/69/87/65/933698765.db2.gz JKRMVTPCNDCRKL-NJAFHUGGSA-N 1 1 298.430 3.041 20 30 CGEDMO C=CCOc1ccc(CN[C@H]2CCCC[C@H]2[NH+](C)C)cc1 ZINC001318411407 933721280 /nfs/dbraw/zinc/72/12/80/933721280.db2.gz UEVLGKPOIOAVGP-ZWKOTPCHSA-N 1 1 288.435 3.214 20 30 CGEDMO C=C/C(C)=C\CC(=O)N(C)[C@@H]1CC[N@@H+](CCC(=C)C)C1 ZINC001318422026 933724250 /nfs/dbraw/zinc/72/42/50/933724250.db2.gz HPJFVGQSUOCAPF-NXADEVLQSA-N 1 1 276.424 3.008 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(CC)CC)C1 ZINC001318445040 933727468 /nfs/dbraw/zinc/72/74/68/933727468.db2.gz IQZIQPQRDKNZNU-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCn1cnn(C[N@H+]2CCCC[C@@H]2[C@H](C)CC)c1=S ZINC001318638301 933756658 /nfs/dbraw/zinc/75/66/58/933756658.db2.gz YIIDWANJGHXHBQ-ZIAGYGMSSA-N 1 1 294.468 3.458 20 30 CGEDMO C=CCn1cnn(C[N@@H+]2CCCC[C@@H]2[C@H](C)CC)c1=S ZINC001318638301 933756663 /nfs/dbraw/zinc/75/66/63/933756663.db2.gz YIIDWANJGHXHBQ-ZIAGYGMSSA-N 1 1 294.468 3.458 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+]([C@H](C)c2nc3ccccc3o2)C1 ZINC001320037879 933986247 /nfs/dbraw/zinc/98/62/47/933986247.db2.gz KINJBUHHJYZFFZ-CHWSQXEVSA-N 1 1 272.348 3.166 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)c1cccc(C(F)F)c1 ZINC001320072447 933991916 /nfs/dbraw/zinc/99/19/16/933991916.db2.gz IGTMUODIDBYIKV-UHFFFAOYSA-N 1 1 296.361 3.204 20 30 CGEDMO CC[N@H+]1CCC[C@H](CN[C@@H](C)c2ccc(C#N)c(F)c2)C1 ZINC001320096295 934000128 /nfs/dbraw/zinc/00/01/28/934000128.db2.gz RHQNUFMYVVZKSB-UONOGXRCSA-N 1 1 289.398 3.080 20 30 CGEDMO C=CC[NH+](CC=C)[C@@H](CNCc1ncccc1C)C(C)C ZINC001320263660 934024108 /nfs/dbraw/zinc/02/41/08/934024108.db2.gz UZPODFDOGZCFPU-SFHVURJKSA-N 1 1 287.451 3.178 20 30 CGEDMO C=C[C@@H](COC)[NH2+]Cc1csc(-c2cccs2)n1 ZINC001320583934 934068289 /nfs/dbraw/zinc/06/82/89/934068289.db2.gz MWLXMRXLVYTUOM-JTQLQIEISA-N 1 1 280.418 3.162 20 30 CGEDMO C=C[C@H](COC)[NH2+]Cc1cc(Cl)cc(Cl)c1OC ZINC001320584935 934068498 /nfs/dbraw/zinc/06/84/98/934068498.db2.gz XSINZPLSOMXLOM-LLVKDONJSA-N 1 1 290.190 3.293 20 30 CGEDMO C=CCC1(C(=O)N[C@H](C)C[N@H+](C)C/C=C/Cl)CCCC1 ZINC001322312114 934276791 /nfs/dbraw/zinc/27/67/91/934276791.db2.gz DFEMJNPAKGENHY-DPQIITEBSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCC1(C(=O)N[C@H](C)C[N@@H+](C)C/C=C/Cl)CCCC1 ZINC001322312114 934276796 /nfs/dbraw/zinc/27/67/96/934276796.db2.gz DFEMJNPAKGENHY-DPQIITEBSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)c1ccccc1C ZINC001323177327 934370125 /nfs/dbraw/zinc/37/01/25/934370125.db2.gz JNAYNDBJHZRADZ-HOTGVXAUSA-N 1 1 286.419 3.154 20 30 CGEDMO C#CCCCCCC(=O)NC[C@H]1CC[N@@H+]1CCC(C)(C)C ZINC001323276176 934379638 /nfs/dbraw/zinc/37/96/38/934379638.db2.gz FAHFGXGQMKBALX-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccsc1Cl ZINC001323318894 934384706 /nfs/dbraw/zinc/38/47/06/934384706.db2.gz OUXQFCNKXDMBRN-LLVKDONJSA-N 1 1 298.839 3.172 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OCC=C)cc1)CC1CC1 ZINC001323330878 934385300 /nfs/dbraw/zinc/38/53/00/934385300.db2.gz MLWGZYVJOBLNJY-UHFFFAOYSA-N 1 1 255.361 3.097 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC([C@@H]2CC[N@@H+](CC)C2)CC1 ZINC001323637715 934413925 /nfs/dbraw/zinc/41/39/25/934413925.db2.gz MVLKEVDCJHUKSH-NVXWUHKLSA-N 1 1 292.467 3.169 20 30 CGEDMO C#CCC[N@@H+]1CC[C@](C)(NC(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001324662864 934543927 /nfs/dbraw/zinc/54/39/27/934543927.db2.gz WXLCHVUNFLBDKJ-YJBOKZPZSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CCOc1ccc(C[N@H+](C)[C@H]2CC[C@@H](SC)C2)cc1 ZINC001324752015 934561968 /nfs/dbraw/zinc/56/19/68/934561968.db2.gz NTSNTQSTBHWEPZ-DOTOQJQBSA-N 1 1 289.444 3.415 20 30 CGEDMO C=C[C@@H](C(=O)OC)[N@@H+](CCC)CC1CCCCC1 ZINC001473120699 937793046 /nfs/dbraw/zinc/79/30/46/937793046.db2.gz OVXRDZKFILPNBO-AWEZNQCLSA-N 1 1 253.386 3.006 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@@H](CC(C)C)OC ZINC001473137848 937794499 /nfs/dbraw/zinc/79/44/99/937794499.db2.gz ZNJYCQOWKBENFT-QGZVFWFLSA-N 1 1 277.383 3.322 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](N(C)c2ccc(C)cc2)C1 ZINC001473303089 937801093 /nfs/dbraw/zinc/80/10/93/937801093.db2.gz GSPFFQIECAVCKP-KRWDZBQOSA-N 1 1 258.409 3.472 20 30 CGEDMO C=CC[C@@H](C(=O)OC)[N@H+]1CC=C(c2cccc(C)c2)CC1 ZINC001473310681 937801248 /nfs/dbraw/zinc/80/12/48/937801248.db2.gz RHHMVUQBHZWYQM-KRWDZBQOSA-N 1 1 285.387 3.202 20 30 CGEDMO C=CC[C@@H](C(=O)OC)[N@@H+]1CC=C(c2cccc(C)c2)CC1 ZINC001473310681 937801250 /nfs/dbraw/zinc/80/12/50/937801250.db2.gz RHHMVUQBHZWYQM-KRWDZBQOSA-N 1 1 285.387 3.202 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001473382514 937804066 /nfs/dbraw/zinc/80/40/66/937804066.db2.gz YLPKRRNNOYZIIC-KRWDZBQOSA-N 1 1 294.439 3.428 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)C2CC(C)(C)C2)C1 ZINC001324929135 934873598 /nfs/dbraw/zinc/87/35/98/934873598.db2.gz UXQGTDNJTNYXFP-SFHVURJKSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCO[C@H]1CC[N@H+]([C@@H](C)CCc2ccccc2)C1 ZINC001325228722 934897550 /nfs/dbraw/zinc/89/75/50/934897550.db2.gz QRAVCDIEIJVORD-RDJZCZTQSA-N 1 1 259.393 3.285 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CN(C(=O)[C@H](CC)CCCCC)C[C@H]2C1 ZINC001325778672 934929812 /nfs/dbraw/zinc/92/98/12/934929812.db2.gz JNDBCHJDPVCEMJ-ZACQAIPSSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+](C)Cc1ccccc1CNC(=O)C1(CC)CC1 ZINC001326459279 934981265 /nfs/dbraw/zinc/98/12/65/934981265.db2.gz ZCXWXXKXNUMVIH-UHFFFAOYSA-N 1 1 286.419 3.111 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1cc(Cl)cc(Cl)c1 ZINC001473669463 937816608 /nfs/dbraw/zinc/81/66/08/937816608.db2.gz MLFCTBKFWSJQSY-UHFFFAOYSA-N 1 1 286.202 3.465 20 30 CGEDMO C=CCCC(=O)NCc1cccc2c1CC[N@H+](CC(=C)C)C2 ZINC001326671065 934997753 /nfs/dbraw/zinc/99/77/53/934997753.db2.gz VCTSELUHBXTJEY-UHFFFAOYSA-N 1 1 298.430 3.203 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N(C)CCC[N@@H+](C)CCC1CC1 ZINC001327245771 935048426 /nfs/dbraw/zinc/04/84/26/935048426.db2.gz PZZNCSUAQKRLGV-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(Cl)COc1ccc([C@@H](C)NCC[C@@H](C)[NH2+]C)cc1 ZINC001327840110 935089837 /nfs/dbraw/zinc/08/98/37/935089837.db2.gz MOUYYZFNBZACAY-ZIAGYGMSSA-N 1 1 296.842 3.467 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](CC[C@H]2CCc3ccccc32)C1 ZINC001327883641 935094633 /nfs/dbraw/zinc/09/46/33/935094633.db2.gz MNEPCKNIADOBNE-IAGOWNOFSA-N 1 1 271.404 3.383 20 30 CGEDMO CC(C)C#CC(=O)N[C@H]1CC[N@H+](CCCC(C)C)[C@@H](C)C1 ZINC001328239974 935126463 /nfs/dbraw/zinc/12/64/63/935126463.db2.gz NQFQCFANAVXLCH-IRXDYDNUSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)CCC2CC2)C[C@H]1C ZINC001328243002 935126788 /nfs/dbraw/zinc/12/67/88/935126788.db2.gz ZCIOVZLVMBOJBA-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@H+](CCCC)[C@H](C)C1 ZINC001328276205 935127797 /nfs/dbraw/zinc/12/77/97/935127797.db2.gz AGGPPQOAHSFNLY-CABCVRRESA-N 1 1 266.429 3.112 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@H](C=C)CC ZINC001328754021 935166141 /nfs/dbraw/zinc/16/61/41/935166141.db2.gz YRACJDDXRLLFFQ-CVEARBPZSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](CCC(=C)C)CC1(C)C ZINC001330230613 935278849 /nfs/dbraw/zinc/27/88/49/935278849.db2.gz QUHAISJLAKFAOP-JKSUJKDBSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCCC)C[C@H]21 ZINC001330336811 935285772 /nfs/dbraw/zinc/28/57/72/935285772.db2.gz AJOQFUZLHQMCCH-XLMAVXFVSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)/C(C)=C\CC)C[C@@H]2C1 ZINC001330449906 935288934 /nfs/dbraw/zinc/28/89/34/935288934.db2.gz AXLQKHSDOBOBDP-DJSJKUMUSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C=C(C)C)C[C@@H]2C1 ZINC001330445479 935289087 /nfs/dbraw/zinc/28/90/87/935289087.db2.gz LGGQVLSQJQRPGL-BBWFWOEESA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)C)C[C@@]2(C)C1 ZINC001330539029 935294956 /nfs/dbraw/zinc/29/49/56/935294956.db2.gz UMOQNGJNZURLIY-HDICACEKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)/C(C)=C\C)CC1 ZINC001331011530 935340718 /nfs/dbraw/zinc/34/07/18/935340718.db2.gz QTPZULOXVKFVIV-GSHXUFRSSA-N 1 1 278.440 3.230 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[C@@H]2CC)CC1 ZINC001331038937 935345474 /nfs/dbraw/zinc/34/54/74/935345474.db2.gz NCBHHBRWIWYZAZ-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC(=O)N[C@]12CCC[C@@H]1[N@@H+](CCCCC)CC2 ZINC001332081974 935438566 /nfs/dbraw/zinc/43/85/66/935438566.db2.gz MZZZCBSGKVHMLI-RDJZCZTQSA-N 1 1 278.440 3.256 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CCC[N@H+](CCC)[C@@H]1C ZINC001332186469 935447474 /nfs/dbraw/zinc/44/74/74/935447474.db2.gz TWTVSSVPYIHIIU-ZBFHGGJFSA-N 1 1 278.440 3.134 20 30 CGEDMO C[C@H](CO)[N@H+](Cc1ccccc1)Cc1cccc(F)c1C#N ZINC001333319913 935525542 /nfs/dbraw/zinc/52/55/42/935525542.db2.gz KUMJHCSKSXJOIN-CQSZACIVSA-N 1 1 298.361 3.080 20 30 CGEDMO C[C@H](CO)[N@@H+](Cc1ccccc1)Cc1cccc(F)c1C#N ZINC001333319913 935525546 /nfs/dbraw/zinc/52/55/46/935525546.db2.gz KUMJHCSKSXJOIN-CQSZACIVSA-N 1 1 298.361 3.080 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H](C)CCCC)CC1 ZINC001333328900 935525769 /nfs/dbraw/zinc/52/57/69/935525769.db2.gz QIONXUBFIJSRNA-HNNXBMFYSA-N 1 1 278.440 3.137 20 30 CGEDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CCCCC1(C#N)CCC1 ZINC001333446932 935535588 /nfs/dbraw/zinc/53/55/88/935535588.db2.gz UDOFQNLAPIWCRE-OAGGEKHMSA-N 1 1 278.440 3.332 20 30 CGEDMO C=CCCC[C@@H]([NH2+]Cc1nnc(C)n1C)c1ccccc1 ZINC001333563031 935547047 /nfs/dbraw/zinc/54/70/47/935547047.db2.gz QVISHUCRCDFYOY-MRXNPFEDSA-N 1 1 284.407 3.311 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CCC ZINC001337257355 936246352 /nfs/dbraw/zinc/24/63/52/936246352.db2.gz CZWBDASKJHRUTR-LSDHHAIUSA-N 1 1 266.429 3.112 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC001473772692 937821095 /nfs/dbraw/zinc/82/10/95/937821095.db2.gz CCPKAOQEDYSFOC-CJNGLKHVSA-N 1 1 261.340 3.081 20 30 CGEDMO CCCCCCCC[N@H+]1CCO[C@H]([C@@H]2COC(C)(C)O2)C1 ZINC001473772164 937821177 /nfs/dbraw/zinc/82/11/77/937821177.db2.gz CDHHJBNTFFLPNY-HOTGVXAUSA-N 1 1 299.455 3.199 20 30 CGEDMO C[C@H]([NH2+]Cc1cccc(C#N)c1F)c1ccc([N+](=O)[O-])cc1 ZINC001473784586 937821603 /nfs/dbraw/zinc/82/16/03/937821603.db2.gz BUXOGRSNDIHUHX-NSHDSACASA-N 1 1 299.305 3.456 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H]1CCCN(CC(C)(C)C)C1=O ZINC001473861655 937825419 /nfs/dbraw/zinc/82/54/19/937825419.db2.gz GJQSAJPXUAGBJG-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@H+](CC)C[C@H]1CCC[C@@]2(CCOC2)O1 ZINC001473861763 937825456 /nfs/dbraw/zinc/82/54/56/937825456.db2.gz KKBQVZYCTMOZFX-CVEARBPZSA-N 1 1 267.413 3.003 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc3c(c2)C[C@@H](C)O3)C1 ZINC001474647764 937872812 /nfs/dbraw/zinc/87/28/12/937872812.db2.gz SWHWHMBIRUVDOX-ZIAGYGMSSA-N 1 1 257.377 3.408 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCC#CC ZINC001479235431 937918002 /nfs/dbraw/zinc/91/80/02/937918002.db2.gz ISXJKDPNUISPOL-DLBZAZTESA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCCC1 ZINC001479242807 937918145 /nfs/dbraw/zinc/91/81/45/937918145.db2.gz XCUKWJCUTSAMBV-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H](CC)C(C)C ZINC001479261329 937918601 /nfs/dbraw/zinc/91/86/01/937918601.db2.gz RQHCEOXOWZJAIL-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](CC)CCCC)[C@H]1C ZINC001479698498 937924420 /nfs/dbraw/zinc/92/44/20/937924420.db2.gz IYPPBZBUAOBKBE-OAGGEKHMSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001479907722 937928815 /nfs/dbraw/zinc/92/88/15/937928815.db2.gz BFSOZCCDEPEFLT-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2(CC)CCCCC2)C1 ZINC001479972323 937930127 /nfs/dbraw/zinc/93/01/27/937930127.db2.gz QTFCKNBDKDSUJB-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC=C)C1)c1ccccc1 ZINC001479973834 937930202 /nfs/dbraw/zinc/93/02/02/937930202.db2.gz LEPARCRSLULJCG-ZWKOTPCHSA-N 1 1 298.430 3.113 20 30 CGEDMO C=CC1(CC(=O)N[C@@H]2CC[N@H+](CCC)C2)CCCCC1 ZINC001479965674 937930339 /nfs/dbraw/zinc/93/03/39/937930339.db2.gz KHNFWLYLQFIHJV-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](CC)CC(C)C)C1 ZINC001480088961 937932160 /nfs/dbraw/zinc/93/21/60/937932160.db2.gz NPHQGIOFZRCHKO-IAGOWNOFSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)C2(F)CCCCC2)C1 ZINC001480086561 937932171 /nfs/dbraw/zinc/93/21/71/937932171.db2.gz VXDUHIRIECTYRZ-OAHLLOKOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)C2(C)CC(=C)C2)C1 ZINC001480085110 937932301 /nfs/dbraw/zinc/93/23/01/937932301.db2.gz PKJAHJGOTPFNMB-INIZCTEOSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCCCC)C1 ZINC001480184023 937933807 /nfs/dbraw/zinc/93/38/07/937933807.db2.gz ISBQJXLPBWPSPG-HOTGVXAUSA-N 1 1 278.440 3.066 20 30 CGEDMO C#CCCCCC(=O)NC[C@H]1CCCC[N@@H+]1CCC(=C)C ZINC001480316637 937936448 /nfs/dbraw/zinc/93/64/48/937936448.db2.gz QWIFJMDRPQFGJM-QGZVFWFLSA-N 1 1 290.451 3.117 20 30 CGEDMO CC#CCCCC(=O)N[C@H](C)[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001480383010 937937834 /nfs/dbraw/zinc/93/78/34/937937834.db2.gz NSRFEESPTZMEHQ-SJORKVTESA-N 1 1 292.467 3.053 20 30 CGEDMO CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)C(CCC)CCC)C1 ZINC001480733651 937943214 /nfs/dbraw/zinc/94/32/14/937943214.db2.gz QLNUBQOLQAOLDJ-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)C2(F)CCCCC2)C1 ZINC001480740497 937943344 /nfs/dbraw/zinc/94/33/44/937943344.db2.gz ZNZXRXSMKSPLHA-OAHLLOKOSA-N 1 1 296.430 3.158 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H]1CNC(=O)C1(CC=C)CCC1 ZINC001493135180 937947932 /nfs/dbraw/zinc/94/79/32/937947932.db2.gz HBHHPTYLZQCYPM-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO CC#CC[N@H+](CCC)CCNC(=O)[C@H]1CCC[C@@H]1CCC ZINC001493300748 937949211 /nfs/dbraw/zinc/94/92/11/937949211.db2.gz RXPHMHMKSGTSFT-IRXDYDNUSA-N 1 1 292.467 3.054 20 30 CGEDMO C=C(C)CC[N@@H+](CCNC(=O)c1ccc(F)s1)C1CC1 ZINC001493451624 937950690 /nfs/dbraw/zinc/95/06/90/937950690.db2.gz PVPRLTZZMIKXNA-UHFFFAOYSA-N 1 1 296.411 3.048 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)c2ccc(C)s2)C1 ZINC001493983971 937952647 /nfs/dbraw/zinc/95/26/47/937952647.db2.gz NBLNSJHXXMOUFU-CQSZACIVSA-N 1 1 292.448 3.074 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001494135257 937953363 /nfs/dbraw/zinc/95/33/63/937953363.db2.gz OFSCRBHOIITOOO-OWCLPIDISA-N 1 1 292.467 3.025 20 30 CGEDMO C#CCCCCC(=O)N1CC[C@H](C[N@H+](C)C[C@H](C)CC)C1 ZINC001494125241 937953483 /nfs/dbraw/zinc/95/34/83/937953483.db2.gz MWEGRWYMUMUASZ-IAGOWNOFSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)C(C)C)C1 ZINC001494163302 937953756 /nfs/dbraw/zinc/95/37/56/937953756.db2.gz PQENJCVJLCMISN-JKSUJKDBSA-N 1 1 280.456 3.025 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@]2(C)C=CCC2)C1 ZINC001494152453 937953793 /nfs/dbraw/zinc/95/37/93/937953793.db2.gz CAXZMFAYOZDKFC-SJLPKXTDSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCCCCC[NH+]1CC(NC(=O)c2ccc(C)s2)C1 ZINC001494334200 937954283 /nfs/dbraw/zinc/95/42/83/937954283.db2.gz URFJIMYAEMEJNY-UHFFFAOYSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2cccc(C)c2)C1 ZINC001494742619 937955849 /nfs/dbraw/zinc/95/58/49/937955849.db2.gz LRIZNAOLNFFNNY-DOTOQJQBSA-N 1 1 286.419 3.154 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@](C)(CC)CCCCC)C1 ZINC001494794398 937956180 /nfs/dbraw/zinc/95/61/80/937956180.db2.gz UUXHPAAMVRGGKW-AEFFLSMTSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCCC(=O)N(C)[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001494842739 937956585 /nfs/dbraw/zinc/95/65/85/937956585.db2.gz UJPLGLRIZAOINM-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC(=O)N1CCC2(CC[N@H+](CCCC)C2)CC1 ZINC001495598438 937960019 /nfs/dbraw/zinc/96/00/19/937960019.db2.gz GZSWQGACIMEMLR-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)CC1CC(C)(C)C1 ZINC001498356050 937969242 /nfs/dbraw/zinc/96/92/42/937969242.db2.gz LRFAFBJYFWJXEW-AWEZNQCLSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]1CNC(=O)c1cc2ccccc2o1 ZINC001499112213 937972368 /nfs/dbraw/zinc/97/23/68/937972368.db2.gz NDBXDWXLSWGUBX-HNNXBMFYSA-N 1 1 298.386 3.203 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]1CNC(=O)C[C@H](C=C)c1ccccc1 ZINC001499123839 937972605 /nfs/dbraw/zinc/97/26/05/937972605.db2.gz CXWHRIFISHIRSD-FUHWJXTLSA-N 1 1 298.430 3.113 20 30 CGEDMO C=C(C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CC[N@H+](CC)C1 ZINC001499481089 937973534 /nfs/dbraw/zinc/97/35/34/937973534.db2.gz LYRYFFGIOKMDCU-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)C=C2CCCCC2)C1 ZINC001500191473 937976324 /nfs/dbraw/zinc/97/63/24/937976324.db2.gz KYNDJDYCJVZJKJ-SFHVURJKSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CCCC(=O)N[C@]1(C)CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001500189528 937976453 /nfs/dbraw/zinc/97/64/53/937976453.db2.gz IIGBXHSZYMVARX-CRAIPNDOSA-N 1 1 286.419 3.294 20 30 CGEDMO C=CCCCC(=O)N[C@@]1(C)CC[N@H+]([C@@H](C)CCC=C)C1 ZINC001500254625 937976747 /nfs/dbraw/zinc/97/67/47/937976747.db2.gz UZPRRKSDJQFXHX-RDJZCZTQSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@]2(C)CCC[N@H+](CCCC)C2)C1 ZINC001500523078 937977828 /nfs/dbraw/zinc/97/78/28/937977828.db2.gz PQDJTLRKLMGXDY-QGZVFWFLSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)CCCCCC)CC1 ZINC001502145743 937981625 /nfs/dbraw/zinc/98/16/25/937981625.db2.gz XKFGOYKVRJHITG-HNNXBMFYSA-N 1 1 266.429 3.114 20 30 CGEDMO C=CCCC[N@H+](C)CCCN(C)C(=O)[C@H]1CCC1(C)C ZINC001502365899 937982128 /nfs/dbraw/zinc/98/21/28/937982128.db2.gz PGSRETFVDQUNTE-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1Cc2ccc(CNC(=O)CC(C)C)cc2C1 ZINC001502647111 937982600 /nfs/dbraw/zinc/98/26/00/937982600.db2.gz GPAQHUGFUXUXOT-UHFFFAOYSA-N 1 1 286.419 3.241 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)CCCF)C(C)(C)C1 ZINC001502830500 937983307 /nfs/dbraw/zinc/98/33/07/937983307.db2.gz IKYXGYWSXOUGQD-CABCVRRESA-N 1 1 298.446 3.308 20 30 CGEDMO C=CCCC[N@H+](CC)CC1CCN(C(=O)C(C)(C)F)CC1 ZINC001505393911 937985007 /nfs/dbraw/zinc/98/50/07/937985007.db2.gz ONJSWGBAIXCENZ-UHFFFAOYSA-N 1 1 298.446 3.261 20 30 CGEDMO CC[C@@H](C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C#CC(C)(C)C ZINC001505430055 937985289 /nfs/dbraw/zinc/98/52/89/937985289.db2.gz YXTLRBODWAJJJD-CVEARBPZSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1cocc1C ZINC001505441208 937985383 /nfs/dbraw/zinc/98/53/83/937985383.db2.gz AUJLMCWXNKNUHP-HNNXBMFYSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CCCC(=O)NC[C@@H](C)[N@@H+](C)Cc1cc(C)ccc1C ZINC001505884146 937987581 /nfs/dbraw/zinc/98/75/81/937987581.db2.gz FOFQDWBKRWBCNU-MRXNPFEDSA-N 1 1 288.435 3.206 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)[C@@]1(C)CC=CCC1 ZINC001505925433 937987870 /nfs/dbraw/zinc/98/78/70/937987870.db2.gz WMGZBPGTRIAGIO-RDJZCZTQSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H](C)[N@@H+](C)CC1CCCCC1 ZINC001505928842 937987984 /nfs/dbraw/zinc/98/79/84/937987984.db2.gz OSWAOTYOAXKYPJ-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)C1(C)CCC(C)CC1 ZINC001506067041 937989128 /nfs/dbraw/zinc/98/91/28/937989128.db2.gz HCAOCZLBZWKMJD-ISXOHVOVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C[C@H](C(=O)NC[C@H](C)[N@H+](C)CC(C)C)c1ccccc1 ZINC001506062754 937989233 /nfs/dbraw/zinc/98/92/33/937989233.db2.gz DQHVZUAXGYRNLW-RDJZCZTQSA-N 1 1 288.435 3.049 20 30 CGEDMO C#CCC[N@H+](C)[C@@H](C)CNC(=O)C[C@H]1CCCCC1(C)C ZINC001506071715 937989330 /nfs/dbraw/zinc/98/93/30/937989330.db2.gz FUUZTFPTTALBSQ-JKSUJKDBSA-N 1 1 292.467 3.053 20 30 CGEDMO CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@@H](C)CCC ZINC001506567046 937990856 /nfs/dbraw/zinc/99/08/56/937990856.db2.gz XKIOUMLKMPTZRR-DLBZAZTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2C=CCC2)C(C)(C)C1 ZINC001506727442 937991444 /nfs/dbraw/zinc/99/14/44/937991444.db2.gz IJQLDPQYJSYJJB-HZPDHXFCSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)C2CC=CC2)CC1 ZINC001506953871 937992980 /nfs/dbraw/zinc/99/29/80/937992980.db2.gz OLVKQSSWHCVYMZ-HNNXBMFYSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC([N@H+](C)CCCC)CC1 ZINC001506964151 937993254 /nfs/dbraw/zinc/99/32/54/937993254.db2.gz FIVYJOXHZQZBCB-UHFFFAOYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)CCC2CC2)[C@@H]1C ZINC001507372053 937995727 /nfs/dbraw/zinc/99/57/27/937995727.db2.gz ITVCQCQRIXXRAH-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@H](C)CCC)CC1 ZINC001508194984 937998543 /nfs/dbraw/zinc/99/85/43/937998543.db2.gz TUNNMEWDUFZHCA-OAHLLOKOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCC1=CC[N@H+](C/C=C/Cl)CC1 ZINC001508219136 937998854 /nfs/dbraw/zinc/99/88/54/937998854.db2.gz CBHICXSERYLCSX-YXMGTMDOSA-N 1 1 296.842 3.090 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCC1=CC[N@@H+](C/C=C/Cl)CC1 ZINC001508219136 937998855 /nfs/dbraw/zinc/99/88/55/937998855.db2.gz CBHICXSERYLCSX-YXMGTMDOSA-N 1 1 296.842 3.090 20 30 CGEDMO Cc1cc(C#N)cc(NC(=O)CC[N@H+](C)C2CCCCC2)c1 ZINC001557005121 938207305 /nfs/dbraw/zinc/20/73/05/938207305.db2.gz HNLYNQHWIMZLCB-UHFFFAOYSA-N 1 1 299.418 3.460 20 30 CGEDMO CCCCCC[N@@H+](C)CC(=O)Nc1cc(F)cc(C#N)c1 ZINC001557942935 938212619 /nfs/dbraw/zinc/21/26/19/938212619.db2.gz ODWSARJFSQARQS-UHFFFAOYSA-N 1 1 291.370 3.148 20 30 CGEDMO CCCCCCCC(=O)NCCNc1ccc(C)c[nH+]1 ZINC001558486814 938215774 /nfs/dbraw/zinc/21/57/74/938215774.db2.gz VPEOXHAOGIZKGS-UHFFFAOYSA-N 1 1 277.412 3.279 20 30 CGEDMO C#CC[NH+](CC#C)CCSc1cccc(Cl)c1 ZINC001559554977 938229348 /nfs/dbraw/zinc/22/93/48/938229348.db2.gz OZZIMUSECREMBO-UHFFFAOYSA-N 1 1 263.793 3.001 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)C[C@H]1CC[C@@H](C2CC2)O1 ZINC001559688775 938233045 /nfs/dbraw/zinc/23/30/45/938233045.db2.gz CSKLXQNVFCAVHI-SJORKVTESA-N 1 1 275.392 3.268 20 30 CGEDMO C[C@H]1CC[N@@H+](CCc2ccc(C#N)cc2)CC1(C)C ZINC001559733478 938234129 /nfs/dbraw/zinc/23/41/29/938234129.db2.gz NOEAFOMIEVZVAX-AWEZNQCLSA-N 1 1 256.393 3.469 20 30 CGEDMO Cc1ccccc1CC[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC001559863209 938237335 /nfs/dbraw/zinc/23/73/35/938237335.db2.gz RNFZGYZGFNRBQP-IBGZPJMESA-N 1 1 294.398 3.075 20 30 CGEDMO COC[C@@H](C[N@@H+](C)[C@H](C)c1cccc(C#N)c1)C(C)C ZINC001559930644 938239355 /nfs/dbraw/zinc/23/93/55/938239355.db2.gz BLGDRJAYMSDPII-RHSMWYFYSA-N 1 1 274.408 3.470 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CCCCC3)C1 ZINC001559947314 938239620 /nfs/dbraw/zinc/23/96/20/938239620.db2.gz PPKORDNZLMKLJA-JKSUJKDBSA-N 1 1 261.409 3.071 20 30 CGEDMO C#C[C@H]1CCC[N@H+](CCCOc2c(C)cccc2C)C1 ZINC001559947006 938239797 /nfs/dbraw/zinc/23/97/97/938239797.db2.gz IETICPIFDJSUAS-KRWDZBQOSA-N 1 1 271.404 3.418 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC001560136377 938244809 /nfs/dbraw/zinc/24/48/09/938244809.db2.gz RHPFGUYKNCORFC-IAQYHMDHSA-N 1 1 298.213 3.372 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1C[C@@](O)(CC)C(F)(F)F ZINC001560199999 938246650 /nfs/dbraw/zinc/24/66/50/938246650.db2.gz JOMXQNRETQYQEM-NEPJUHHUSA-N 1 1 265.319 3.120 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1C[C@@](O)(CC)C(F)(F)F ZINC001560200001 938246813 /nfs/dbraw/zinc/24/68/13/938246813.db2.gz JOMXQNRETQYQEM-RYUDHWBXSA-N 1 1 265.319 3.120 20 30 CGEDMO C=CCCC[N@H+](CC)C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC001560204539 938246919 /nfs/dbraw/zinc/24/69/19/938246919.db2.gz OUYCRSRIHNAJAF-VXGBXAGGSA-N 1 1 265.319 3.384 20 30 CGEDMO C#C[C@@H]1CCCC[N@H+]1Cc1ccc2cnccc2c1 ZINC001560210188 938247449 /nfs/dbraw/zinc/24/74/49/938247449.db2.gz NTDGJFZPVQWWGJ-QGZVFWFLSA-N 1 1 250.345 3.223 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1OCC(F)F)CC1CC1 ZINC001560672274 938269353 /nfs/dbraw/zinc/26/93/53/938269353.db2.gz ALKSRSRETRPGTE-UHFFFAOYSA-N 1 1 279.330 3.176 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)C[C@@]1(C)CCCCO1 ZINC001560821810 938277971 /nfs/dbraw/zinc/27/79/71/938277971.db2.gz BZOUYJPIEOXVNQ-QGZVFWFLSA-N 1 1 257.377 3.081 20 30 CGEDMO C=CCC[C@H]([NH2+]C1CCC(CC)CC1)C(=O)OCC ZINC001560837378 938278855 /nfs/dbraw/zinc/27/88/55/938278855.db2.gz PLZHOERBGOLKQC-NRXISQOPSA-N 1 1 267.413 3.443 20 30 CGEDMO C=CCCC[N@H+](CC)CCNC(=O)[C@]1(C)CCC[C@H]1C ZINC001480998158 957701541 /nfs/dbraw/zinc/70/15/41/957701541.db2.gz JDLNEDBJXCSHRW-NVXWUHKLSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)C1CC(C)(C)C1 ZINC001496696589 957721786 /nfs/dbraw/zinc/72/17/86/957721786.db2.gz NPDFYBYTVROIFO-AWEZNQCLSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)C1CC(C(C)(C)C)C1 ZINC001493064559 957851283 /nfs/dbraw/zinc/85/12/83/957851283.db2.gz UUBJHHLNPBXKDO-UHFFFAOYSA-N 1 1 280.456 3.073 20 30 CGEDMO COc1ccc(C[NH2+][C@@H](C)CC#N)cc1OCC(C)C ZINC001461724752 960502950 /nfs/dbraw/zinc/50/29/50/960502950.db2.gz QQBDBQLLGSVTGH-ZDUSSCGKSA-N 1 1 276.380 3.122 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)/C(C)=C/C)C1 ZINC001566734957 960576498 /nfs/dbraw/zinc/57/64/98/960576498.db2.gz FICCJILFRGCSQV-KNDGBBJPSA-N 1 1 278.440 3.089 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](N(CC)C(=O)C2CC2)C1 ZINC001567931284 960602729 /nfs/dbraw/zinc/60/27/29/960602729.db2.gz ZXCKXKRSRIODHP-MRXNPFEDSA-N 1 1 280.456 3.290 20 30 CGEDMO C=CCCCCCCCNC(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC001564883485 960699451 /nfs/dbraw/zinc/69/94/51/960699451.db2.gz GPHFRCRJXJNCLZ-INIZCTEOSA-N 1 1 295.471 3.249 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCCC1CCCC1 ZINC001565835569 960836048 /nfs/dbraw/zinc/83/60/48/960836048.db2.gz PLAYSBOMHVXPLC-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](CCC(=C)C)[C@@H]1CC ZINC001566019103 960862313 /nfs/dbraw/zinc/86/23/13/960862313.db2.gz CPUIUIGPTLNYPE-LSDHHAIUSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@](C)(CC)CCC)[C@H]1CC ZINC001566024694 960863342 /nfs/dbraw/zinc/86/33/42/960863342.db2.gz PUNGHTDMEPXQKY-UXLLHSPISA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@@H+](CCC(C)C)[C@@H]1CC ZINC001566020328 960867109 /nfs/dbraw/zinc/86/71/09/960867109.db2.gz IBYNQLAFGZXWMQ-JKSUJKDBSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](CCCCCF)[C@@H]1CC ZINC001566019294 960868937 /nfs/dbraw/zinc/86/89/37/960868937.db2.gz JLDFVOCXQXZDNZ-LSDHHAIUSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCCF ZINC001566124196 960891486 /nfs/dbraw/zinc/89/14/86/960891486.db2.gz KQBLALPITBOVAT-CVEARBPZSA-N 1 1 298.446 3.404 20 30 CGEDMO C#CCC[N@H+](C)CCCNC(=O)[C@H](C)CC1CCCCC1 ZINC001566496636 960935062 /nfs/dbraw/zinc/93/50/62/960935062.db2.gz VJDLLWMGFZULQB-MRXNPFEDSA-N 1 1 292.467 3.054 20 30 CGEDMO C#CCC[N@H+](C)CCCNC(=O)[C@@H](C)CC1CCCCC1 ZINC001566496635 960937062 /nfs/dbraw/zinc/93/70/62/960937062.db2.gz VJDLLWMGFZULQB-INIZCTEOSA-N 1 1 292.467 3.054 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC001566570527 960958006 /nfs/dbraw/zinc/95/80/06/960958006.db2.gz JQOAPUCAONIRFW-DLBZAZTESA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)C[C@@H](C)CC)CC1 ZINC001566608583 960961385 /nfs/dbraw/zinc/96/13/85/960961385.db2.gz XBPQBLZCFRFYSL-LBPRGKRZSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC001566570530 960963777 /nfs/dbraw/zinc/96/37/77/960963777.db2.gz JQOAPUCAONIRFW-SJORKVTESA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@H+](C[C@@H](C)CC)C2)CCCC1 ZINC001566684452 960990012 /nfs/dbraw/zinc/99/00/12/960990012.db2.gz OLTUXRXDAAILRA-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)C2CCCC2)C1 ZINC001566731658 960994156 /nfs/dbraw/zinc/99/41/56/960994156.db2.gz GYFTWSGBJUSCBN-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@H]1CCCN(C(=O)CC)C1 ZINC001566732468 960997453 /nfs/dbraw/zinc/99/74/53/960997453.db2.gz UQKRLONLJVRAEA-MRXNPFEDSA-N 1 1 280.456 3.313 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCCC)C1 ZINC001566824332 961025457 /nfs/dbraw/zinc/02/54/57/961025457.db2.gz HPHGETRBZLQCMZ-IAGOWNOFSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](CNC(=O)C/C=C(/C)C=C)C1 ZINC001566876711 961042268 /nfs/dbraw/zinc/04/22/68/961042268.db2.gz JUSHPNHDQZEZMS-LPPOOGIUSA-N 1 1 290.451 3.303 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)C/C=C(\C)C=C)C1 ZINC001566876710 961042699 /nfs/dbraw/zinc/04/26/99/961042699.db2.gz JUSHPNHDQZEZMS-KGZWWPETSA-N 1 1 290.451 3.303 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)/C=C\C(C)(C)C ZINC001566918383 961055926 /nfs/dbraw/zinc/05/59/26/961055926.db2.gz PYAUFSQNXUPVGZ-FJVVXJACSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H](C)CC ZINC001566921440 961059524 /nfs/dbraw/zinc/05/95/24/961059524.db2.gz MTZXLXLBGVJVRT-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2(CCCC)CC2)C1 ZINC001566966548 961070134 /nfs/dbraw/zinc/07/01/34/961070134.db2.gz WTQWDPVSTFIQMF-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)C2CC2)C1 ZINC001566963304 961080306 /nfs/dbraw/zinc/08/03/06/961080306.db2.gz SCEUOSPDGSVYCK-HUUCEWRRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)C2CCC2)C1 ZINC001567185520 961133560 /nfs/dbraw/zinc/13/35/60/961133560.db2.gz YLBXSXHANGNYIZ-ZBFHGGJFSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)CC(C)(C)C=C)C1 ZINC001567192499 961134862 /nfs/dbraw/zinc/13/48/62/961134862.db2.gz ASZJNDNTJITXPP-INIZCTEOSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)CCCCCC)C1 ZINC001567203552 961137006 /nfs/dbraw/zinc/13/70/06/961137006.db2.gz XKGUKTJKMHAGLA-MRXNPFEDSA-N 1 1 280.456 3.456 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)CCCCCF)C1 ZINC001567195916 961137602 /nfs/dbraw/zinc/13/76/02/961137602.db2.gz DLLAVQWFOKWCIL-OAHLLOKOSA-N 1 1 298.446 3.261 20 30 CGEDMO C=CCCC(=O)NCC[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC001567273744 961257426 /nfs/dbraw/zinc/25/74/26/961257426.db2.gz LCBPLCQCRFCTPT-QGZVFWFLSA-N 1 1 286.419 3.078 20 30 CGEDMO C=CCCC(=O)NCC[N@H+](C)CC[C@@H]1CCC[C@@H](C)C1 ZINC001567273722 961268467 /nfs/dbraw/zinc/26/84/67/961268467.db2.gz KQDCMYMMZCOTPF-CVEARBPZSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@@H+](C)CCNC(=O)c1ccc(C2=CCCC2)cc1 ZINC001567322631 961282114 /nfs/dbraw/zinc/28/21/14/961282114.db2.gz DFLNAKNMYDZAPJ-UHFFFAOYSA-N 1 1 298.430 3.492 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCC[N@@H+](C)Cc1ccccc1C ZINC001567301846 961283892 /nfs/dbraw/zinc/28/38/92/961283892.db2.gz KESPCYLJGPFMBG-SFHVURJKSA-N 1 1 288.435 3.145 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCC[N@@H+]1C[C@@H](C)CC(C)C ZINC001567365640 961309161 /nfs/dbraw/zinc/30/91/61/961309161.db2.gz AXFFHLGGEWNDIN-JKSUJKDBSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@@H+](CCNC(=O)[C@H]1CCCC1(C)C)C1CC1 ZINC001567447382 961348265 /nfs/dbraw/zinc/34/82/65/961348265.db2.gz SOPKUZKNDWOTNS-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[N@H+](CCCNC(=O)c1ccoc1C)C(C)C ZINC001567636908 961383163 /nfs/dbraw/zinc/38/31/63/961383163.db2.gz XAWVCSIYMHPNMC-UHFFFAOYSA-N 1 1 298.814 3.171 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(CCC)C(=O)CC2(C)CC2)C1 ZINC001567685285 961395573 /nfs/dbraw/zinc/39/55/73/961395573.db2.gz BYJOEXSVGYFJKL-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)C(C)(C)C)C1 ZINC001567732002 961413149 /nfs/dbraw/zinc/41/31/49/961413149.db2.gz UCRLJUDDUZEYBU-HOTGVXAUSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)C/C=C(/C)C=C)C1 ZINC001567764974 961429085 /nfs/dbraw/zinc/42/90/85/961429085.db2.gz BGRYWGNLRQSRAL-OIORMYRMSA-N 1 1 290.451 3.444 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2ccc(C)s2)C1 ZINC001567868440 961442459 /nfs/dbraw/zinc/44/24/59/961442459.db2.gz WMZVNAGPEDWPRX-OCCSQVGLSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)CCC2CC2)C1 ZINC001567905771 961453555 /nfs/dbraw/zinc/45/35/55/961453555.db2.gz DNGGKADTUYKRCX-HOCLYGCPSA-N 1 1 278.440 3.064 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](N(C)C(=O)CCC)C1 ZINC001567902669 961456051 /nfs/dbraw/zinc/45/60/51/961456051.db2.gz MDTZTIFQNSPMFI-HNNXBMFYSA-N 1 1 268.445 3.290 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](N(C)C(=O)CCCCCCCC)C1 ZINC001567927756 961460572 /nfs/dbraw/zinc/46/05/72/961460572.db2.gz UQLDZHCUFDAPCL-KRWDZBQOSA-N 1 1 292.467 3.293 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC23CC3)C1 ZINC001567913416 961460623 /nfs/dbraw/zinc/46/06/23/961460623.db2.gz BBRWKIZYEZJZMH-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)CC2(C)CC2)C1 ZINC001567916863 961461080 /nfs/dbraw/zinc/46/10/80/961461080.db2.gz AMLLZHHCZCGTLA-CABCVRRESA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)CCC(=O)N(C)[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001567915153 961461697 /nfs/dbraw/zinc/46/16/97/961461697.db2.gz LBZJYUFCRHNDDX-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C2(C)CCC2)C1 ZINC001567918403 961465354 /nfs/dbraw/zinc/46/53/54/961465354.db2.gz GTHGJFARZURXGR-HUUCEWRRSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)C[C@@H](C)CC)C1 ZINC001567935786 961467428 /nfs/dbraw/zinc/46/74/28/961467428.db2.gz KHQNTXCGGZNVDO-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](CCCC)C(C)C)C1 ZINC001567928134 961468573 /nfs/dbraw/zinc/46/85/73/961468573.db2.gz CBRDFHVEVSRFIE-DLBZAZTESA-N 1 1 292.467 3.005 20 30 CGEDMO C=CC[N@H+](C)CCC1CCN(C(=O)[C@@](C)(C=C)CC)CC1 ZINC001568438397 961572933 /nfs/dbraw/zinc/57/29/33/961572933.db2.gz GHSVMCJZMTVOBA-SFHVURJKSA-N 1 1 292.467 3.335 20 30 CGEDMO C=CCCCC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CCC2CC2)C1 ZINC001568512850 961604176 /nfs/dbraw/zinc/60/41/76/961604176.db2.gz CPCKNJMUVSDQAA-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)C)CC[C@H]21 ZINC001568508379 961609429 /nfs/dbraw/zinc/60/94/29/961609429.db2.gz LHSIGYAFKHMAIC-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)CCC1CCCCC1 ZINC001569150451 961711945 /nfs/dbraw/zinc/71/19/45/961711945.db2.gz ZVJWCRFKJQGMBC-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@@H]1[C@H]1CC[N@H+](C(C)C)C1 ZINC001569437297 961765261 /nfs/dbraw/zinc/76/52/61/961765261.db2.gz SFTGZMGNJCTIIK-JKSUJKDBSA-N 1 1 278.440 3.064 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@](C)(NC(=O)C(C)(F)F)C1 ZINC001569628022 961804061 /nfs/dbraw/zinc/80/40/61/961804061.db2.gz HGKVWYRYSYNNRL-AWEZNQCLSA-N 1 1 290.398 3.193 20 30 CGEDMO C=CCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCC(C)C)C2 ZINC001569794879 961837227 /nfs/dbraw/zinc/83/72/27/961837227.db2.gz PFKOSOLSMQXRNY-ULQDDVLXSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)C[C@@H](C=C)CC)C1 ZINC001569719873 961842918 /nfs/dbraw/zinc/84/29/18/961842918.db2.gz OZWNDJDDPOHSGN-WMZOPIPTSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)CCCCC)C[C@H]2C1 ZINC001569872756 961855102 /nfs/dbraw/zinc/85/51/02/961855102.db2.gz LTXRABSTSTVRBU-YESZJQIVSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)CCC)CC1 ZINC001570181412 961916284 /nfs/dbraw/zinc/91/62/84/961916284.db2.gz JAPNCMMEZXPWRG-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C/C(C)=C/CC(=O)N(C)CCC[N@H+](C)CC(=C)Cl ZINC001570206225 961924394 /nfs/dbraw/zinc/92/43/94/961924394.db2.gz MFCRFYSIXTXFCB-MDWZMJQESA-N 1 1 284.831 3.042 20 30 CGEDMO C=C/C(C)=C/CC(=O)N(C)CCC[N@@H+](C)CC(=C)Cl ZINC001570206225 961924404 /nfs/dbraw/zinc/92/44/04/961924404.db2.gz MFCRFYSIXTXFCB-MDWZMJQESA-N 1 1 284.831 3.042 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)c1ccc(CC)s1 ZINC001570203273 961928381 /nfs/dbraw/zinc/92/83/81/961928381.db2.gz SKGQFFJJXNLGRV-UHFFFAOYSA-N 1 1 294.464 3.281 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H](C)CCC)C2 ZINC001570271209 961943156 /nfs/dbraw/zinc/94/31/56/961943156.db2.gz DENTUORPHSVMIB-AEFFLSMTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1Cc2ccc(CNC(=O)CC(C)C)cc2C1 ZINC001570311374 961943725 /nfs/dbraw/zinc/94/37/25/961943725.db2.gz VEOSXTVIRXCMTP-UHFFFAOYSA-N 1 1 286.419 3.241 20 30 CGEDMO C#CCCCCCC(=O)N[C@H]1CC[N@H+](CC(C)C)[C@@H](C)C1 ZINC001570440636 961966406 /nfs/dbraw/zinc/96/64/06/961966406.db2.gz MYNRHFUZPMSXTH-IRXDYDNUSA-N 1 1 292.467 3.195 20 30 CGEDMO C#CCCCCCC(=O)N[C@@H]1CC[N@H+](CC(C)C)[C@@H](C)C1 ZINC001570440634 961967269 /nfs/dbraw/zinc/96/72/69/961967269.db2.gz MYNRHFUZPMSXTH-DLBZAZTESA-N 1 1 292.467 3.195 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)C1(C)CCC(C)CC1 ZINC001570547102 961998989 /nfs/dbraw/zinc/99/89/89/961998989.db2.gz AIIVEIWHWISISL-PQUAAJSLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)c1ccn(C(C)C)c1C ZINC001570730281 962057148 /nfs/dbraw/zinc/05/71/48/962057148.db2.gz MMKHBBVTDVAZAV-AWEZNQCLSA-N 1 1 291.439 3.004 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)C(C)C ZINC001570712407 962057972 /nfs/dbraw/zinc/05/79/72/962057972.db2.gz KIDRUSAMCGZAOG-AWEZNQCLSA-N 1 1 268.445 3.071 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)C1(C2CCC2)CCC1 ZINC001570725667 962058179 /nfs/dbraw/zinc/05/81/79/962058179.db2.gz CSHUGIYVGKFXKS-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)CNC(=O)[C@H](CCC)c1ccccc1 ZINC001570750412 962066894 /nfs/dbraw/zinc/06/68/94/962066894.db2.gz RPICNXOTFGHVRA-NVXWUHKLSA-N 1 1 288.435 3.193 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)c1cc(C(C)C)oc1C ZINC001570745297 962075745 /nfs/dbraw/zinc/07/57/45/962075745.db2.gz GUNIYVGTIPNMCX-ZDUSSCGKSA-N 1 1 292.423 3.338 20 30 CGEDMO C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)C[C@@H]1C=CCC1 ZINC001570816015 962093499 /nfs/dbraw/zinc/09/34/99/962093499.db2.gz PCOVUGOAJZZACV-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)C(C)(C)CC)C(C)(C)C1 ZINC001570901438 962106229 /nfs/dbraw/zinc/10/62/29/962106229.db2.gz CPAPURQWCNLNBM-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)CC(C)=C(C)C)C[C@@]2(C)C1 ZINC001571063906 962116522 /nfs/dbraw/zinc/11/65/22/962116522.db2.gz HWYRSDBUOGESSV-HDICACEKSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001571333559 962134140 /nfs/dbraw/zinc/13/41/40/962134140.db2.gz VLYWKGFQESNSKF-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C2(CCF)CC2)[C@H]1C ZINC001571520770 962169504 /nfs/dbraw/zinc/16/95/04/962169504.db2.gz JYBYKVLNPDINNV-HUUCEWRRSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@]12CCC[C@@H]1[N@@H+](CC=C)CC2 ZINC001571500731 962170042 /nfs/dbraw/zinc/17/00/42/962170042.db2.gz HMVGXRJNRCXFBT-WMZOPIPTSA-N 1 1 288.435 3.054 20 30 CGEDMO CC#CC[N@H+](C)CCN(C(=O)[C@H](CCC)C(C)C)C(C)C ZINC001571615138 962189757 /nfs/dbraw/zinc/18/97/57/962189757.db2.gz HFQDIVRRNJRSGC-QGZVFWFLSA-N 1 1 294.483 3.251 20 30 CGEDMO C=C(C)CCC(=O)NCC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001571688642 962210761 /nfs/dbraw/zinc/21/07/61/962210761.db2.gz UCMWQOFLOLBQEI-UHFFFAOYSA-N 1 1 298.430 3.291 20 30 CGEDMO C=CCCCCCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001587021334 963165759 /nfs/dbraw/zinc/16/57/59/963165759.db2.gz JSIZTGIXGNXDEH-QGZVFWFLSA-N 1 1 298.446 3.452 20 30 CGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000124882204 187159424 /nfs/dbraw/zinc/15/94/24/187159424.db2.gz DTNNMILEFAKRGV-RDJZCZTQSA-N 1 1 297.402 3.151 20 30 CGEDMO C[C@H](C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1)C(C)(C)C ZINC000590051984 346824416 /nfs/dbraw/zinc/82/44/16/346824416.db2.gz MYIMRDGUXGVFJS-UKRRQHHQSA-N 1 1 287.407 3.089 20 30 CGEDMO C=C1CC[NH+](Cc2ccnn2CCc2ccccc2)CC1 ZINC000621715333 349561378 /nfs/dbraw/zinc/56/13/78/349561378.db2.gz RJVNLIYVOBIOLX-UHFFFAOYSA-N 1 1 281.403 3.278 20 30 CGEDMO C[C@@H]1CCN(Cc2ccccc2)CC[N@H+]1[C@H]1CC[C@@H](C#N)C1 ZINC000590162498 346833722 /nfs/dbraw/zinc/83/37/22/346833722.db2.gz SUPVXCSZMRDSRU-QRQLOZEOSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1[C@H]1CC[C@@H](C#N)C1 ZINC000590162498 346833726 /nfs/dbraw/zinc/83/37/26/346833726.db2.gz SUPVXCSZMRDSRU-QRQLOZEOSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1[C@H]1CC[C@@H](C#N)C1 ZINC000590162498 346833729 /nfs/dbraw/zinc/83/37/29/346833729.db2.gz SUPVXCSZMRDSRU-QRQLOZEOSA-N 1 1 297.446 3.275 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)C[C@H]1CCO[C@H](C)C1 ZINC000352721408 282161946 /nfs/dbraw/zinc/16/19/46/282161946.db2.gz MEOSZFFOBDLINI-ZBFHGGJFSA-N 1 1 266.429 3.453 20 30 CGEDMO C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)c2nccn21 ZINC000590778626 346875277 /nfs/dbraw/zinc/87/52/77/346875277.db2.gz KVCPWDKFLHYFOC-YGRLFVJLSA-N 1 1 286.766 3.204 20 30 CGEDMO CCn1ccnc1[C@H](C)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000590778531 346875273 /nfs/dbraw/zinc/87/52/73/346875273.db2.gz ZWRSWASROVGWAI-BLLLJJGKSA-N 1 1 280.375 3.113 20 30 CGEDMO Cc1ccccc1C[N@@H+]1CCCN([C@H](C)CCC#N)CC1 ZINC000591010694 346894457 /nfs/dbraw/zinc/89/44/57/346894457.db2.gz SJVOBJOLFJSODX-QGZVFWFLSA-N 1 1 285.435 3.195 20 30 CGEDMO Cc1ccccc1CN1CCC[N@@H+]([C@H](C)CCC#N)CC1 ZINC000591010694 346894459 /nfs/dbraw/zinc/89/44/59/346894459.db2.gz SJVOBJOLFJSODX-QGZVFWFLSA-N 1 1 285.435 3.195 20 30 CGEDMO Cc1ccccc1CN1CCC[N@H+]([C@H](C)CCC#N)CC1 ZINC000591010694 346894461 /nfs/dbraw/zinc/89/44/61/346894461.db2.gz SJVOBJOLFJSODX-QGZVFWFLSA-N 1 1 285.435 3.195 20 30 CGEDMO N#CCCCOc1cccc(C[NH+]2CC(C(F)F)C2)c1 ZINC000590968712 346891975 /nfs/dbraw/zinc/89/19/75/346891975.db2.gz CLSFAMAJFIRZRK-UHFFFAOYSA-N 1 1 280.318 3.066 20 30 CGEDMO N#Cc1cnccc1C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000592063851 346958565 /nfs/dbraw/zinc/95/85/65/346958565.db2.gz KINCBVBOZVYXGZ-SFHVURJKSA-N 1 1 295.361 3.299 20 30 CGEDMO CC[C@H](C)[C@@H](C)[N@@H+](Cc1ccncc1C#N)C1CC1 ZINC000592067428 346959023 /nfs/dbraw/zinc/95/90/23/346959023.db2.gz PKGCSLXFKGRYDS-QWHCGFSZSA-N 1 1 257.381 3.352 20 30 CGEDMO CCC[C@@]1(C)CCC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592071916 346960185 /nfs/dbraw/zinc/96/01/85/346960185.db2.gz UZEPMIQPCIPOBK-INIZCTEOSA-N 1 1 257.381 3.355 20 30 CGEDMO COc1ccccc1C[C@@H](C)[N@H+](C)Cc1ccncc1C#N ZINC000592072465 346960529 /nfs/dbraw/zinc/96/05/29/346960529.db2.gz MAPXDZSZWFDZFI-CQSZACIVSA-N 1 1 295.386 3.025 20 30 CGEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1ccncc1C#N ZINC000592072465 346960533 /nfs/dbraw/zinc/96/05/33/346960533.db2.gz MAPXDZSZWFDZFI-CQSZACIVSA-N 1 1 295.386 3.025 20 30 CGEDMO Cc1cc([C@@H](C)[NH2+]Cc2ccncc2C#N)c(C)s1 ZINC000592095396 346962107 /nfs/dbraw/zinc/96/21/07/346962107.db2.gz VOZJDYQJXKMMAR-LLVKDONJSA-N 1 1 271.389 3.482 20 30 CGEDMO Cc1oc(NC(=O)C[N@@H+](C)CCC(C)(C)C)c(C#N)c1C ZINC000592144263 346966670 /nfs/dbraw/zinc/96/66/70/346966670.db2.gz GXFQNSJGPUWDTQ-UHFFFAOYSA-N 1 1 291.395 3.075 20 30 CGEDMO CC1(C)CCC[C@@H]1[C@H]1CC[N@@H+](CCOCCC#N)C1 ZINC000592154323 346967753 /nfs/dbraw/zinc/96/77/53/346967753.db2.gz PEFQKNZNSDQZLY-LSDHHAIUSA-N 1 1 264.413 3.065 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1cc2n(n1)CCCC2 ZINC000592391395 346981771 /nfs/dbraw/zinc/98/17/71/346981771.db2.gz BWOGDXTVALZWPP-CQSZACIVSA-N 1 1 294.402 3.136 20 30 CGEDMO C[N@@H+](CCCCNc1ccc(Cl)cc1C#N)C1CC1 ZINC000413347220 529884267 /nfs/dbraw/zinc/88/42/67/529884267.db2.gz KOSCTZJQBVIBBZ-UHFFFAOYSA-N 1 1 277.799 3.498 20 30 CGEDMO C=CCC[C@H]([NH2+]C1CCC(F)(F)CC1)C(=O)OCC ZINC000592515190 346994849 /nfs/dbraw/zinc/99/48/49/346994849.db2.gz SQTAUBWHKYXKKH-LBPRGKRZSA-N 1 1 275.339 3.052 20 30 CGEDMO N#CCCOCC[N@@H+]1CCCC[C@H]1Cc1ccccc1F ZINC000593085000 347037581 /nfs/dbraw/zinc/03/75/81/347037581.db2.gz VQLGBRSHLOEJBO-INIZCTEOSA-N 1 1 290.382 3.153 20 30 CGEDMO C[C@@H](CSc1ccccc1)[N@H+](C)CC1(C#N)CC1 ZINC000593044973 347032068 /nfs/dbraw/zinc/03/20/68/347032068.db2.gz DRWMSUPNLSLRCQ-ZDUSSCGKSA-N 1 1 260.406 3.403 20 30 CGEDMO C[C@@H](CSc1ccccc1)[N@@H+](C)CC1(C#N)CC1 ZINC000593044973 347032069 /nfs/dbraw/zinc/03/20/69/347032069.db2.gz DRWMSUPNLSLRCQ-ZDUSSCGKSA-N 1 1 260.406 3.403 20 30 CGEDMO CC(C)O[C@H]1CCC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000593055849 347033491 /nfs/dbraw/zinc/03/34/91/347033491.db2.gz SATNQRXIDIGXDD-INIZCTEOSA-N 1 1 297.402 3.200 20 30 CGEDMO CC(C)O[C@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000593055849 347033496 /nfs/dbraw/zinc/03/34/96/347033496.db2.gz SATNQRXIDIGXDD-INIZCTEOSA-N 1 1 297.402 3.200 20 30 CGEDMO Cn1cc(C[N@@H+](C)Cc2cccc3[nH]ccc32)cc1C#N ZINC000426393974 529976269 /nfs/dbraw/zinc/97/62/69/529976269.db2.gz HYQORCMXMGRRAM-UHFFFAOYSA-N 1 1 278.359 3.010 20 30 CGEDMO C=CC[N@H+](CCC(=O)OCC)Cc1ccc(Cl)s1 ZINC000053399647 345120049 /nfs/dbraw/zinc/12/00/49/345120049.db2.gz YRGHXVJFVBIBCL-UHFFFAOYSA-N 1 1 287.812 3.343 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(F)cc2c1OCOC2 ZINC000053398642 345120122 /nfs/dbraw/zinc/12/01/22/345120122.db2.gz MVQUNECOIBPFTQ-UHFFFAOYSA-N 1 1 265.328 3.090 20 30 CGEDMO Cc1cc([C@@H]2CCC[N@H+]2CCOc2ccc(C#N)cc2)on1 ZINC000052009744 345095728 /nfs/dbraw/zinc/09/57/28/345095728.db2.gz YBMXXBUPZWOFIF-INIZCTEOSA-N 1 1 297.358 3.071 20 30 CGEDMO N#Cc1cccnc1N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000054124189 345128794 /nfs/dbraw/zinc/12/87/94/345128794.db2.gz ATPHQTGPPSQCJS-UHFFFAOYSA-N 1 1 298.434 3.046 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H]1CC(C)(C)C ZINC000061040037 345226223 /nfs/dbraw/zinc/22/62/23/345226223.db2.gz XUXDEFFZPLZQAQ-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO N#Cc1ccc(N[C@@H]2CC[N@H+](C3CC3)C2)c(C(F)(F)F)c1 ZINC000061981232 345236785 /nfs/dbraw/zinc/23/67/85/345236785.db2.gz LHSCUAIYLAMNNR-LLVKDONJSA-N 1 1 295.308 3.226 20 30 CGEDMO C[C@@H](CC#N)[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000068609323 345357057 /nfs/dbraw/zinc/35/70/57/345357057.db2.gz KLALEICXANUWCA-AWEZNQCLSA-N 1 1 281.359 3.052 20 30 CGEDMO CC[N@@H+](Cc1cccs1)Cc1ccnc(C#N)c1 ZINC000068766074 345362188 /nfs/dbraw/zinc/36/21/88/345362188.db2.gz ZIGCMOMMXYUMLT-UHFFFAOYSA-N 1 1 257.362 3.037 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)CCC(=O)N1CCC[C@H]1C ZINC000072692750 345415892 /nfs/dbraw/zinc/41/58/92/345415892.db2.gz IMIUYYFICLOHKE-OAHLLOKOSA-N 1 1 293.455 3.039 20 30 CGEDMO COc1ccc(C2CC[NH+](C[C@@H](C#N)CCC#N)CC2)cc1 ZINC000072914679 345421090 /nfs/dbraw/zinc/42/10/90/345421090.db2.gz VCDRDIFDGYTQMF-OAHLLOKOSA-N 1 1 297.402 3.318 20 30 CGEDMO CC(C)CC[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000073397024 345442190 /nfs/dbraw/zinc/44/21/90/345442190.db2.gz HUODKJGZKPSARY-UHFFFAOYSA-N 1 1 285.435 3.112 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000076152764 345535893 /nfs/dbraw/zinc/53/58/93/345535893.db2.gz YUDNYHDUMWOPAI-QZTJIDSGSA-N 1 1 277.371 3.353 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000076152764 345535894 /nfs/dbraw/zinc/53/58/94/345535894.db2.gz YUDNYHDUMWOPAI-QZTJIDSGSA-N 1 1 277.371 3.353 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2ccc(C#N)cn2)C1 ZINC000076799192 345551124 /nfs/dbraw/zinc/55/11/24/345551124.db2.gz CEGIMQIBFGNZLX-GASCZTMLSA-N 1 1 286.423 3.123 20 30 CGEDMO N#Cc1cccc(Cl)c1N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000091479945 345816735 /nfs/dbraw/zinc/81/67/35/345816735.db2.gz WHFOUVWOYFOPHA-LBPRGKRZSA-N 1 1 286.766 3.319 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+](C)Cc1nccn1C(F)F ZINC000091508408 345817130 /nfs/dbraw/zinc/81/71/30/345817130.db2.gz CDPBVVVOANBSOB-NSHDSACASA-N 1 1 257.328 3.455 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000091510330 345817799 /nfs/dbraw/zinc/81/77/99/345817799.db2.gz YUWVRGFMDKTLCK-JKSUJKDBSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCCN(c2nccs2)CC1 ZINC000091542246 345817828 /nfs/dbraw/zinc/81/78/28/345817828.db2.gz QUUJCCGFXQYQMN-AWEZNQCLSA-N 1 1 279.453 3.400 20 30 CGEDMO COCC[N@H+](CCC#N)CC[C@@H]1CCC[C@@H](C)C1 ZINC000089129858 345766016 /nfs/dbraw/zinc/76/60/16/345766016.db2.gz QZTGXUNCIUWNQT-CABCVRRESA-N 1 1 252.402 3.065 20 30 CGEDMO COCC[N@@H+](CCC#N)CC[C@@H]1CCC[C@@H](C)C1 ZINC000089129858 345766018 /nfs/dbraw/zinc/76/60/18/345766018.db2.gz QZTGXUNCIUWNQT-CABCVRRESA-N 1 1 252.402 3.065 20 30 CGEDMO C[C@@H]1C[C@H](Nc2cnccc2C#N)C[N@H+]1Cc1ccccc1 ZINC000091739540 345822492 /nfs/dbraw/zinc/82/24/92/345822492.db2.gz AJLBJNXJPVUQTC-PBHICJAKSA-N 1 1 292.386 3.028 20 30 CGEDMO C=C(C)COc1cc(C[N@H+]2CC[C@@H](C)C2)ccc1OC ZINC000092471692 345841903 /nfs/dbraw/zinc/84/19/03/345841903.db2.gz LVRIJGFMLLCVEC-CQSZACIVSA-N 1 1 275.392 3.492 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000093329173 345875746 /nfs/dbraw/zinc/87/57/46/345875746.db2.gz YXLCXYFADUKWEC-LBPRGKRZSA-N 1 1 286.297 3.130 20 30 CGEDMO C[N@@H+](Cc1ccccc1C#N)C1Cc2ccccc2C1 ZINC000141207267 346107501 /nfs/dbraw/zinc/10/75/01/346107501.db2.gz PZRDLKYDPRVGAW-UHFFFAOYSA-N 1 1 262.356 3.157 20 30 CGEDMO N#Cc1cccc(C[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)c1 ZINC000141742049 346109350 /nfs/dbraw/zinc/10/93/50/346109350.db2.gz UPKQABKPQXKZRT-SFHVURJKSA-N 1 1 296.370 3.332 20 30 CGEDMO N#Cc1cccc(C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)c1 ZINC000141742049 346109354 /nfs/dbraw/zinc/10/93/54/346109354.db2.gz UPKQABKPQXKZRT-SFHVURJKSA-N 1 1 296.370 3.332 20 30 CGEDMO CC[N@@H+](Cc1ccccn1)Cc1ccc(C#N)cc1C ZINC000165497413 346184742 /nfs/dbraw/zinc/18/47/42/346184742.db2.gz AWIMOIFGWGZFPL-UHFFFAOYSA-N 1 1 265.360 3.284 20 30 CGEDMO C=CCCCCC[N@@H+](CC(N)=O)[C@H](C)c1ccccc1 ZINC000193436489 346269302 /nfs/dbraw/zinc/26/93/02/346269302.db2.gz VATIMXFHPYYKAS-OAHLLOKOSA-N 1 1 274.408 3.281 20 30 CGEDMO N#CC1(CCC[N@H+]2CCCc3occc3C2)CCOCC1 ZINC000288653680 346423111 /nfs/dbraw/zinc/42/31/11/346423111.db2.gz BGOUHHCABQUCMT-UHFFFAOYSA-N 1 1 288.391 3.128 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000319366265 346488046 /nfs/dbraw/zinc/48/80/46/346488046.db2.gz HSKSBTWYGWSCHV-QRVBRYPASA-N 1 1 298.430 3.382 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](Cc2cccc3c2CCC3)C1 ZINC000593616281 347095739 /nfs/dbraw/zinc/09/57/39/347095739.db2.gz YRDMVQHVZCHKHM-QGZVFWFLSA-N 1 1 254.377 3.301 20 30 CGEDMO CC(C)O[C@H]1CCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000593656905 347100883 /nfs/dbraw/zinc/10/08/83/347100883.db2.gz AYLMWNQBGKZJNR-ZDUSSCGKSA-N 1 1 264.394 3.009 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC000397653003 346584204 /nfs/dbraw/zinc/58/42/04/346584204.db2.gz UMQSTFBVWJZQEJ-OLZOCXBDSA-N 1 1 256.340 3.438 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)cc1Cl)[C@H]1CCCOC1 ZINC000402821911 346595952 /nfs/dbraw/zinc/59/59/52/346595952.db2.gz HSXQYCJKTMXPEA-AWEZNQCLSA-N 1 1 278.783 3.213 20 30 CGEDMO C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1CCCC#N ZINC000404440398 346599331 /nfs/dbraw/zinc/59/93/31/346599331.db2.gz UHFXKKCNWAFPOJ-BBWFWOEESA-N 1 1 285.435 3.273 20 30 CGEDMO C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)C[N@@H+]1CCCC#N ZINC000404440398 346599333 /nfs/dbraw/zinc/59/93/33/346599333.db2.gz UHFXKKCNWAFPOJ-BBWFWOEESA-N 1 1 285.435 3.273 20 30 CGEDMO C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@@H](C)C[N@H+]1CCCC#N ZINC000404440398 346599335 /nfs/dbraw/zinc/59/93/35/346599335.db2.gz UHFXKKCNWAFPOJ-BBWFWOEESA-N 1 1 285.435 3.273 20 30 CGEDMO N#CC1(C[NH2+]C2CCN(Cc3ccccc3)CC2)CCCC1 ZINC000405077765 346602475 /nfs/dbraw/zinc/60/24/75/346602475.db2.gz JGIUELCVOXDOSQ-UHFFFAOYSA-N 1 1 297.446 3.325 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1nc2ccc(Br)cc2o1 ZINC000491688532 346629676 /nfs/dbraw/zinc/62/96/76/346629676.db2.gz BYMBYKMWFILTGO-VIFPVBQESA-N 1 1 293.164 3.044 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1nc2ccc(Br)cc2o1 ZINC000491688532 346629681 /nfs/dbraw/zinc/62/96/81/346629681.db2.gz BYMBYKMWFILTGO-VIFPVBQESA-N 1 1 293.164 3.044 20 30 CGEDMO C[N@@H+](Cc1ccnc(C#N)c1)C(C)(C)c1ccccc1 ZINC000585754330 346729629 /nfs/dbraw/zinc/72/96/29/346729629.db2.gz HVGAALBBOPXUCQ-UHFFFAOYSA-N 1 1 265.360 3.320 20 30 CGEDMO CCC[N@H+](CCN1CCCC1)Cc1ccc(C#N)cc1C ZINC000586779544 346734928 /nfs/dbraw/zinc/73/49/28/346734928.db2.gz GPGVZWICCSVJOH-UHFFFAOYSA-N 1 1 285.435 3.175 20 30 CGEDMO CCC[N@@H+](CCN1CCCC1)Cc1ccc(C#N)cc1C ZINC000586779544 346734931 /nfs/dbraw/zinc/73/49/31/346734931.db2.gz GPGVZWICCSVJOH-UHFFFAOYSA-N 1 1 285.435 3.175 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594006629 347135783 /nfs/dbraw/zinc/13/57/83/347135783.db2.gz JSIDRZGSQGVBRE-OAHLLOKOSA-N 1 1 255.365 3.270 20 30 CGEDMO COc1ccc(C[NH2+]CC2(C#N)CCCCC2)cc1OC ZINC000594994275 347251287 /nfs/dbraw/zinc/25/12/87/347251287.db2.gz JCPHEJGNKKANAH-UHFFFAOYSA-N 1 1 288.391 3.267 20 30 CGEDMO N#Cc1cnccc1S[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000594907855 347226542 /nfs/dbraw/zinc/22/65/42/347226542.db2.gz JITKDWMQVDZVHT-INIZCTEOSA-N 1 1 295.411 3.320 20 30 CGEDMO CCC[N@@H+](CC)C[C@H](C)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594943968 347237924 /nfs/dbraw/zinc/23/79/24/347237924.db2.gz MWZRUUMWPINIKL-INIZCTEOSA-N 1 1 299.462 3.452 20 30 CGEDMO CCCN(CC)C[C@H](C)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594943968 347237926 /nfs/dbraw/zinc/23/79/26/347237926.db2.gz MWZRUUMWPINIKL-INIZCTEOSA-N 1 1 299.462 3.452 20 30 CGEDMO CC(C)[N@@H+](C)C[C@H](C)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594954713 347240065 /nfs/dbraw/zinc/24/00/65/347240065.db2.gz MCSBTABOMVSWEX-HNNXBMFYSA-N 1 1 285.435 3.060 20 30 CGEDMO CC(C)[N@H+](C)C[C@H](C)NCc1ccc(C2(C#N)CC2)cc1 ZINC000594954713 347240068 /nfs/dbraw/zinc/24/00/68/347240068.db2.gz MCSBTABOMVSWEX-HNNXBMFYSA-N 1 1 285.435 3.060 20 30 CGEDMO N#Cc1ccc(CN[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000594977372 347247172 /nfs/dbraw/zinc/24/71/72/347247172.db2.gz KZOWTEWXJJVJLD-QGZVFWFLSA-N 1 1 283.419 3.055 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@@H]2CCN(C3CCCCC3)C2)cc1 ZINC000594977372 347247177 /nfs/dbraw/zinc/24/71/77/347247177.db2.gz KZOWTEWXJJVJLD-QGZVFWFLSA-N 1 1 283.419 3.055 20 30 CGEDMO N#Cc1csc(CN[C@@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000594977993 347247191 /nfs/dbraw/zinc/24/71/91/347247191.db2.gz PJUHDWRRWHGBFL-CQSZACIVSA-N 1 1 289.448 3.116 20 30 CGEDMO N#Cc1csc(C[NH2+][C@@H]2CCN(C3CCCCC3)C2)c1 ZINC000594977993 347247193 /nfs/dbraw/zinc/24/71/93/347247193.db2.gz PJUHDWRRWHGBFL-CQSZACIVSA-N 1 1 289.448 3.116 20 30 CGEDMO CC(C)n1cncc1C[NH2+]CC1(C#N)CCCCC1 ZINC000594982126 347248475 /nfs/dbraw/zinc/24/84/75/347248475.db2.gz ZOQHYDYJLSMOIO-UHFFFAOYSA-N 1 1 260.385 3.028 20 30 CGEDMO CC(C)=CCC[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000595292336 347287140 /nfs/dbraw/zinc/28/71/40/347287140.db2.gz ZPWBMTIALJUVEP-UHFFFAOYSA-N 1 1 297.446 3.422 20 30 CGEDMO C[N@@H+](CCOc1ccccc1F)CCc1ccc(C#N)cc1 ZINC000595290653 347287201 /nfs/dbraw/zinc/28/72/01/347287201.db2.gz YBYDLRQJLAXRFP-UHFFFAOYSA-N 1 1 298.361 3.251 20 30 CGEDMO C[C@@H](C1CC1)[N@@H+](CCc1ccc(C#N)cc1)C1CC1 ZINC000595291948 347287222 /nfs/dbraw/zinc/28/72/22/347287222.db2.gz YKTQPNOMOIVDQC-ZDUSSCGKSA-N 1 1 254.377 3.364 20 30 CGEDMO N#C[C@@H]1CCC[C@H](N[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000595081209 347279771 /nfs/dbraw/zinc/27/97/71/347279771.db2.gz QXKMJANEQILWQG-PMPSAXMXSA-N 1 1 275.440 3.065 20 30 CGEDMO N#C[C@@H]1CCC[C@H](N[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000595081209 347279773 /nfs/dbraw/zinc/27/97/73/347279773.db2.gz QXKMJANEQILWQG-PMPSAXMXSA-N 1 1 275.440 3.065 20 30 CGEDMO Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595610749 347326433 /nfs/dbraw/zinc/32/64/33/347326433.db2.gz BGHICJDJRWNUAQ-JKSUJKDBSA-N 1 1 299.418 3.256 20 30 CGEDMO Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595610749 347326434 /nfs/dbraw/zinc/32/64/34/347326434.db2.gz BGHICJDJRWNUAQ-JKSUJKDBSA-N 1 1 299.418 3.256 20 30 CGEDMO Cc1ccc(C)c(OCC[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595610413 347326701 /nfs/dbraw/zinc/32/67/01/347326701.db2.gz YBNJJLISWKXKPS-MRXNPFEDSA-N 1 1 272.392 3.308 20 30 CGEDMO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595613754 347327182 /nfs/dbraw/zinc/32/71/82/347327182.db2.gz GWSQSICBMOUYSE-STQMWFEESA-N 1 1 273.336 3.281 20 30 CGEDMO CCOc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000595612150 347327197 /nfs/dbraw/zinc/32/71/97/347327197.db2.gz SGLXZBSHTMRONC-AWEZNQCLSA-N 1 1 258.365 3.211 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCCC3(CCCC3)CC2)ccn1 ZINC000595641301 347331832 /nfs/dbraw/zinc/33/18/32/347331832.db2.gz IGAHMCAPVSAJCX-UHFFFAOYSA-N 1 1 269.392 3.500 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+]([C@@H](C(=O)OC)c2ccsc2)C1 ZINC000595659812 347334505 /nfs/dbraw/zinc/33/45/05/347334505.db2.gz PLTBGNMCIMSVRR-TZMCWYRMSA-N 1 1 279.405 3.250 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](C(=O)OC)c2ccsc2)C1 ZINC000595659812 347334508 /nfs/dbraw/zinc/33/45/08/347334508.db2.gz PLTBGNMCIMSVRR-TZMCWYRMSA-N 1 1 279.405 3.250 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](CC[S@@](=O)c2ccccc2)C1 ZINC000595661352 347335347 /nfs/dbraw/zinc/33/53/47/347335347.db2.gz ZGDJINQPJCOREN-DNVCBOLYSA-N 1 1 277.433 3.082 20 30 CGEDMO N#CCC[C@@H](C#N)C[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000595733872 347348408 /nfs/dbraw/zinc/34/84/08/347348408.db2.gz KGBWOYZLNSXHDF-HOCLYGCPSA-N 1 1 259.397 3.332 20 30 CGEDMO N#CCC[C@H](C#N)C[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000595733864 347348823 /nfs/dbraw/zinc/34/88/23/347348823.db2.gz KGBWOYZLNSXHDF-GDBMZVCRSA-N 1 1 259.397 3.332 20 30 CGEDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(CCC(C)(C)C#N)C1 ZINC000595748346 347349525 /nfs/dbraw/zinc/34/95/25/347349525.db2.gz JBPCUTLRROGQMI-SFHVURJKSA-N 1 1 299.462 3.175 20 30 CGEDMO CN(CCc1ccccc1)[C@H]1CC[N@H+](CCC(C)(C)C#N)C1 ZINC000595748346 347349528 /nfs/dbraw/zinc/34/95/28/347349528.db2.gz JBPCUTLRROGQMI-SFHVURJKSA-N 1 1 299.462 3.175 20 30 CGEDMO CN(CCc1ccccc1)[C@H]1CC[N@@H+](CCC(C)(C)C#N)C1 ZINC000595748346 347349531 /nfs/dbraw/zinc/34/95/31/347349531.db2.gz JBPCUTLRROGQMI-SFHVURJKSA-N 1 1 299.462 3.175 20 30 CGEDMO N#Cc1ccccc1OCC[N@@H+]1CCC[C@@H](CCF)C1 ZINC000595755001 347350311 /nfs/dbraw/zinc/35/03/11/347350311.db2.gz DUFXJBPIKUSTOA-AWEZNQCLSA-N 1 1 276.355 3.009 20 30 CGEDMO N#CCc1ccc(C[N@@H+]2CCC[C@@H](CCF)C2)cc1 ZINC000595757095 347351920 /nfs/dbraw/zinc/35/19/20/347351920.db2.gz ZDHNKHNWBDESDP-HNNXBMFYSA-N 1 1 260.356 3.324 20 30 CGEDMO C=CC[N@H+](CCOc1ccccc1C#N)C(C)(C)C ZINC000595764282 347352883 /nfs/dbraw/zinc/35/28/83/347352883.db2.gz YUUOFDRHOMCSHX-UHFFFAOYSA-N 1 1 258.365 3.224 20 30 CGEDMO C=CC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)C(C)(C)C ZINC000595766452 347353257 /nfs/dbraw/zinc/35/32/57/347353257.db2.gz VXUQUXAAOMHXJK-UHFFFAOYSA-N 1 1 285.391 3.173 20 30 CGEDMO CC(C)[C@@H]1CN([C@@H](C#N)c2ccc(Cl)cc2)CC[N@H+]1C ZINC000595463039 347307958 /nfs/dbraw/zinc/30/79/58/347307958.db2.gz YJPGXAQCOLOZSG-HOTGVXAUSA-N 1 1 291.826 3.177 20 30 CGEDMO CC[N@H+]1CCCN(Cc2ccc(Cl)cc2C#N)[C@H](C)C1 ZINC000595534638 347316120 /nfs/dbraw/zinc/31/61/20/347316120.db2.gz DMNZJGLXQONQFE-CYBMUJFWSA-N 1 1 291.826 3.128 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CC[C@H](Oc3ccccc3)C2)cc1 ZINC000595561921 347319630 /nfs/dbraw/zinc/31/96/30/347319630.db2.gz GILCBLZOTIIEJW-IBGZPJMESA-N 1 1 292.382 3.254 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000595562438 347319770 /nfs/dbraw/zinc/31/97/70/347319770.db2.gz KZQBNELZZQSWKI-IRXDYDNUSA-N 1 1 254.377 3.365 20 30 CGEDMO C[C@@H](CCC#N)[NH2+][C@@H](CO)c1cccc(Cl)c1Cl ZINC000595830394 347361509 /nfs/dbraw/zinc/36/15/09/347361509.db2.gz USLCDAMTYOKHIO-CABZTGNLSA-N 1 1 287.190 3.309 20 30 CGEDMO Cc1cccc(C)c1OCCC[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595839076 347364621 /nfs/dbraw/zinc/36/46/21/347364621.db2.gz HDLGOFYSUXHABH-QGZVFWFLSA-N 1 1 272.392 3.308 20 30 CGEDMO Cc1cccc(C)c1OCCC[N@H+]1CC[C@](C)(C#N)C1 ZINC000595839076 347364625 /nfs/dbraw/zinc/36/46/25/347364625.db2.gz HDLGOFYSUXHABH-QGZVFWFLSA-N 1 1 272.392 3.308 20 30 CGEDMO CC(C)O[C@@H](C[N@@H+]1CC[C@@](C)(C#N)C1)c1ccccc1 ZINC000595840585 347365206 /nfs/dbraw/zinc/36/52/06/347365206.db2.gz CCAKZTXDFUJJEK-IRXDYDNUSA-N 1 1 272.392 3.388 20 30 CGEDMO CC(C)O[C@@H](C[N@H+]1CC[C@@](C)(C#N)C1)c1ccccc1 ZINC000595840585 347365209 /nfs/dbraw/zinc/36/52/09/347365209.db2.gz CCAKZTXDFUJJEK-IRXDYDNUSA-N 1 1 272.392 3.388 20 30 CGEDMO COc1cccc(SCC[N@@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000595841135 347365214 /nfs/dbraw/zinc/36/52/14/347365214.db2.gz IGUMEXRAPHDPQR-HNNXBMFYSA-N 1 1 276.405 3.023 20 30 CGEDMO COc1cccc(SCC[N@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000595841135 347365218 /nfs/dbraw/zinc/36/52/18/347365218.db2.gz IGUMEXRAPHDPQR-HNNXBMFYSA-N 1 1 276.405 3.023 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C(=O)OC)c(C)o1 ZINC000595842833 347366657 /nfs/dbraw/zinc/36/66/57/347366657.db2.gz VOSYPYSIKGGXAM-BETUJISGSA-N 1 1 275.348 3.058 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1ccc(C(=O)OC)o1 ZINC000595845393 347367182 /nfs/dbraw/zinc/36/71/82/347367182.db2.gz NJLCYLUMHXETRW-RWMBFGLXSA-N 1 1 275.348 3.310 20 30 CGEDMO N#CCSCCC[N@@H+](CCC1CC1)CC1CC1 ZINC000595872365 347369269 /nfs/dbraw/zinc/36/92/69/347369269.db2.gz WOHYHKWVTOZKIK-UHFFFAOYSA-N 1 1 252.427 3.145 20 30 CGEDMO C[N@H+](CC1=CCSC1)Cc1ccc(C#N)cc1Cl ZINC000595887549 347370105 /nfs/dbraw/zinc/37/01/05/347370105.db2.gz FENCCHQKBGRLSE-UHFFFAOYSA-N 1 1 278.808 3.317 20 30 CGEDMO C[N@@H+](CC1=CCSC1)Cc1ccc(C#N)cc1Cl ZINC000595887549 347370108 /nfs/dbraw/zinc/37/01/08/347370108.db2.gz FENCCHQKBGRLSE-UHFFFAOYSA-N 1 1 278.808 3.317 20 30 CGEDMO CC(C)(C#N)CCCC[N@@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000595919376 347372734 /nfs/dbraw/zinc/37/27/34/347372734.db2.gz WUGPTDWSQYAJMO-CQSZACIVSA-N 1 1 274.355 3.062 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000595919376 347372736 /nfs/dbraw/zinc/37/27/36/347372736.db2.gz WUGPTDWSQYAJMO-CQSZACIVSA-N 1 1 274.355 3.062 20 30 CGEDMO N#CC[C@@H]1CCCN(c2cc[nH+]c3ccsc32)C1 ZINC000596328935 347419216 /nfs/dbraw/zinc/41/92/16/347419216.db2.gz BAHICOHQVBUXKE-NSHDSACASA-N 1 1 257.362 3.426 20 30 CGEDMO CCC[N@@H+](C)CC(C)(C)Nc1nc(C#N)c(Cl)s1 ZINC000596539628 347476490 /nfs/dbraw/zinc/47/64/90/347476490.db2.gz AGKSNTQCUAIHIC-UHFFFAOYSA-N 1 1 286.832 3.200 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000597174759 347544521 /nfs/dbraw/zinc/54/45/21/347544521.db2.gz URHDGQQJMUWNRV-ZDUSSCGKSA-N 1 1 298.415 3.331 20 30 CGEDMO CC[N@H+](Cc1ccc(C2(C#N)CC2)cc1)C[C@@H]1CCOC1 ZINC000596984211 347524659 /nfs/dbraw/zinc/52/46/59/347524659.db2.gz QYLNTOQZZRZBKZ-INIZCTEOSA-N 1 1 284.403 3.100 20 30 CGEDMO C[C@@H]1CSCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597010753 347527868 /nfs/dbraw/zinc/52/78/68/347527868.db2.gz QTTBQJPWZFBVTP-CYBMUJFWSA-N 1 1 272.417 3.179 20 30 CGEDMO C[C@@H](C#N)C[N@H+](Cc1cc2ccncc2s1)C1CC1 ZINC000597025607 347528950 /nfs/dbraw/zinc/52/89/50/347528950.db2.gz GRXIUAJJORUOGC-NSHDSACASA-N 1 1 271.389 3.420 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](Cc1cc2ccncc2s1)C1CC1 ZINC000597025607 347528951 /nfs/dbraw/zinc/52/89/51/347528951.db2.gz GRXIUAJJORUOGC-NSHDSACASA-N 1 1 271.389 3.420 20 30 CGEDMO CC[C@]1(CO)CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597093119 347535362 /nfs/dbraw/zinc/53/53/62/347535362.db2.gz WCXOEDUASJBRJC-SFHVURJKSA-N 1 1 298.430 3.226 20 30 CGEDMO CC(C)[C@@H]1CN(Cc2ccc(C3(C#N)CC3)cc2)CC[N@H+]1C ZINC000597113105 347536854 /nfs/dbraw/zinc/53/68/54/347536854.db2.gz PFQOFODZDREBTR-SFHVURJKSA-N 1 1 297.446 3.014 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CCN1C ZINC000597113105 347536862 /nfs/dbraw/zinc/53/68/62/347536862.db2.gz PFQOFODZDREBTR-SFHVURJKSA-N 1 1 297.446 3.014 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@@H]1C ZINC000597138227 347540110 /nfs/dbraw/zinc/54/01/10/347540110.db2.gz MYIUMIHMPOQTFD-YOEHRIQHSA-N 1 1 284.403 3.099 20 30 CGEDMO CCCn1nc(C)c(C[N@H+]2CCC[C@H](CC#N)C2)c1C ZINC000597172733 347543370 /nfs/dbraw/zinc/54/33/70/347543370.db2.gz DQDVJRANZDDOCW-OAHLLOKOSA-N 1 1 274.412 3.036 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@H](CCF)C2)ccc1C#N ZINC000597209849 347555104 /nfs/dbraw/zinc/55/51/04/347555104.db2.gz DMYQZBQAILJGBM-CYBMUJFWSA-N 1 1 276.355 3.138 20 30 CGEDMO C[C@H]1C[N@H+](CC(C)(C)CCC#N)C[C@H](CC(F)(F)F)O1 ZINC000597243406 347562442 /nfs/dbraw/zinc/56/24/42/347562442.db2.gz OOIIRDJSDRPSAB-RYUDHWBXSA-N 1 1 292.345 3.358 20 30 CGEDMO C[C@H]1C[N@@H+](CC(C)(C)CCC#N)C[C@H](CC(F)(F)F)O1 ZINC000597243406 347562444 /nfs/dbraw/zinc/56/24/44/347562444.db2.gz OOIIRDJSDRPSAB-RYUDHWBXSA-N 1 1 292.345 3.358 20 30 CGEDMO Cc1cc(C#N)cc(N[C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000598978660 347703314 /nfs/dbraw/zinc/70/33/14/347703314.db2.gz QCDZQBXGUBXEGN-CQSZACIVSA-N 1 1 257.381 3.151 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@H](O)CC(C)(C)C#N ZINC000598586035 347666712 /nfs/dbraw/zinc/66/67/12/347666712.db2.gz NMWNTYFVMQSPHN-OAHLLOKOSA-N 1 1 290.382 3.114 20 30 CGEDMO C=CC[N@H+](C[C@H](O)CC(C)(C)C#N)CC1CCCCC1 ZINC000598587457 347667839 /nfs/dbraw/zinc/66/78/39/347667839.db2.gz ALAFENCKWWHONG-MRXNPFEDSA-N 1 1 278.440 3.355 20 30 CGEDMO C[C@H]1c2ccc(F)cc2CC[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598593595 347668524 /nfs/dbraw/zinc/66/85/24/347668524.db2.gz VBABEWXFQHMPDE-WFASDCNBSA-N 1 1 290.382 3.046 20 30 CGEDMO CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)[C@@H](C)c1cccc(O)c1 ZINC000598595389 347669166 /nfs/dbraw/zinc/66/91/66/347669166.db2.gz NQVCXLITZFWRAA-BBRMVZONSA-N 1 1 290.407 3.076 20 30 CGEDMO COc1ccc(C[N@H+]2CCc3c(CC#N)cccc3C2)cc1 ZINC000599678352 347764868 /nfs/dbraw/zinc/76/48/68/347764868.db2.gz UKHZBHDOUBTACN-UHFFFAOYSA-N 1 1 292.382 3.320 20 30 CGEDMO C/C=C\C[C@@H]1CCC[N@@H+](CCCSCC#N)C1 ZINC000599692442 347766885 /nfs/dbraw/zinc/76/68/85/347766885.db2.gz WVJMPGMFNNMTOZ-PYLYLYNFSA-N 1 1 252.427 3.311 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H](OCC)C1CC1 ZINC000599280606 347731924 /nfs/dbraw/zinc/73/19/24/347731924.db2.gz AAGVSXYTVMUZEX-GOSISDBHSA-N 1 1 284.403 3.361 20 30 CGEDMO Cc1ccc(CN(C)CC[C@@H]2CCCC[N@H+]2C)cc1C#N ZINC000599300797 347733612 /nfs/dbraw/zinc/73/36/12/347733612.db2.gz WUUAANHOCKJWSB-SFHVURJKSA-N 1 1 285.435 3.173 20 30 CGEDMO CSCC[C@H](C)[N@@H+](C)Cc1ccc(C)c(C#N)c1 ZINC000599329080 347736308 /nfs/dbraw/zinc/73/63/08/347736308.db2.gz DCJXEOOYSMKVKW-ZDUSSCGKSA-N 1 1 262.422 3.440 20 30 CGEDMO Cc1ccc(C[N@H+](C)[C@H](C)c2cccnc2)cc1C#N ZINC000599348878 347738180 /nfs/dbraw/zinc/73/81/80/347738180.db2.gz RGGVYHKQBMQMSP-CQSZACIVSA-N 1 1 265.360 3.455 20 30 CGEDMO CO[C@]1(C)CCC[N@@H+](Cc2ccc(C)c(C#N)c2)CC1 ZINC000599391337 347741469 /nfs/dbraw/zinc/74/14/69/347741469.db2.gz XXFYIBKYLKWLOB-QGZVFWFLSA-N 1 1 272.392 3.258 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@H](c3ccncc3)C2)cc1C#N ZINC000599430468 347744019 /nfs/dbraw/zinc/74/40/19/347744019.db2.gz SNMHYCIVTNAJKR-KRWDZBQOSA-N 1 1 277.371 3.251 20 30 CGEDMO C[C@H]1C[NH+](Cc2cccc(C#N)c2F)C[C@H](C)C1(F)F ZINC000599514484 347749561 /nfs/dbraw/zinc/74/95/61/347749561.db2.gz JANSBDQMNSZAFZ-QWRGUYRKSA-N 1 1 282.309 3.420 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000599526063 347750444 /nfs/dbraw/zinc/75/04/44/347750444.db2.gz CVWQGBLWVSMRMU-LLVKDONJSA-N 1 1 264.300 3.132 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000599526857 347750531 /nfs/dbraw/zinc/75/05/31/347750531.db2.gz VCVSEBUZHZIAAY-CYBMUJFWSA-N 1 1 294.358 3.006 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599587573 347756254 /nfs/dbraw/zinc/75/62/54/347756254.db2.gz FSMGCQUPVBGEDG-UONOGXRCSA-N 1 1 267.413 3.252 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599592385 347757010 /nfs/dbraw/zinc/75/70/10/347757010.db2.gz YMBBOEJTBASLKJ-QLFBSQMISA-N 1 1 279.424 3.088 20 30 CGEDMO C[C@@]1(C2CCCCC2)CC[N@H+]1C[C@@H](C#N)CCC#N ZINC000601963461 347929907 /nfs/dbraw/zinc/92/99/07/347929907.db2.gz TVDGOILKQFFURB-ZBFHGGJFSA-N 1 1 259.397 3.475 20 30 CGEDMO C[N@@H+](CCCc1ccccc1)Cc1cccc(C#N)n1 ZINC000602438673 347958214 /nfs/dbraw/zinc/95/82/14/347958214.db2.gz HDXHVQBBLQPRHI-UHFFFAOYSA-N 1 1 265.360 3.018 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000602447741 347960138 /nfs/dbraw/zinc/96/01/38/347960138.db2.gz FXIVGTZKBMFLTR-PBHICJAKSA-N 1 1 272.392 3.172 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+]1CCC[C@H](N2[C@@H](C)CC[C@@H]2C)C1 ZINC000602456590 347960821 /nfs/dbraw/zinc/96/08/21/347960821.db2.gz ZTYAICKUTVMVOA-QZWWFDLISA-N 1 1 277.456 3.263 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H](N2[C@@H](C)CC[C@@H]2C)C1 ZINC000602456590 347960823 /nfs/dbraw/zinc/96/08/23/347960823.db2.gz ZTYAICKUTVMVOA-QZWWFDLISA-N 1 1 277.456 3.263 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000602453258 347961482 /nfs/dbraw/zinc/96/14/82/347961482.db2.gz HTYCUVZIKKOBQH-VYDXJSESSA-N 1 1 272.392 3.388 20 30 CGEDMO CCC(CC)C[N@H+](CCC#N)CCC[C@@H]1CCO1 ZINC000602466003 347963175 /nfs/dbraw/zinc/96/31/75/347963175.db2.gz SQBONQZHQLOSHW-OAHLLOKOSA-N 1 1 252.402 3.207 20 30 CGEDMO CC(C)C[C@@H]1CCCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602474094 347965107 /nfs/dbraw/zinc/96/51/07/347965107.db2.gz GPYYTLDUQKYIAC-INIZCTEOSA-N 1 1 257.381 3.354 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCOC2(C1)CCCCCC2 ZINC000602480112 347965759 /nfs/dbraw/zinc/96/57/59/347965759.db2.gz SWMWOLJMTQUGKZ-HNNXBMFYSA-N 1 1 264.413 3.351 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCCC[C@@H]1c1cccn1C ZINC000602485276 347967844 /nfs/dbraw/zinc/96/78/44/347967844.db2.gz RAYXYZSDURPZPU-GDBMZVCRSA-N 1 1 259.397 3.492 20 30 CGEDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602486976 347967956 /nfs/dbraw/zinc/96/79/56/347967956.db2.gz XQBRIFISKLQUQF-BBRMVZONSA-N 1 1 257.381 3.354 20 30 CGEDMO C[C@H](CCC#N)C[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000602523290 347975907 /nfs/dbraw/zinc/97/59/07/347975907.db2.gz AGPFUCVDRFEXGA-MJGOQNOKSA-N 1 1 299.462 3.428 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000602612077 347993934 /nfs/dbraw/zinc/99/39/34/347993934.db2.gz YZBOTASQWHRAKF-AEFFLSMTSA-N 1 1 283.419 3.139 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000602613806 347994631 /nfs/dbraw/zinc/99/46/31/347994631.db2.gz QDASERNQJOYSQW-HOCLYGCPSA-N 1 1 264.413 3.207 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)Cc1c(F)cccc1F ZINC000602673953 348006564 /nfs/dbraw/zinc/00/65/64/348006564.db2.gz AAPKPNSLOARLBV-LLVKDONJSA-N 1 1 252.308 3.336 20 30 CGEDMO COc1cc2c(cc1OC)[C@H]([N@H+](C)CC(C)(C)C#N)CC2 ZINC000602673922 348006723 /nfs/dbraw/zinc/00/67/23/348006723.db2.gz DLGCVRNJYGINGF-CQSZACIVSA-N 1 1 288.391 3.173 20 30 CGEDMO COc1cc2c(cc1OC)[C@H]([N@@H+](C)CC(C)(C)C#N)CC2 ZINC000602673922 348006725 /nfs/dbraw/zinc/00/67/25/348006725.db2.gz DLGCVRNJYGINGF-CQSZACIVSA-N 1 1 288.391 3.173 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000602680998 348008334 /nfs/dbraw/zinc/00/83/34/348008334.db2.gz HCKSUQMCXSNYAP-KGLIPLIRSA-N 1 1 252.427 3.145 20 30 CGEDMO Cc1ccc(C[N@H+](Cc2cccc(C#N)n2)CC2CC2)cn1 ZINC000602699552 348012087 /nfs/dbraw/zinc/01/20/87/348012087.db2.gz IDDSTDRSISZZEZ-UHFFFAOYSA-N 1 1 292.386 3.069 20 30 CGEDMO Cn1c(C[N@H+]2CCC[C@@H](CC#N)C2)cc2ccccc21 ZINC000602705564 348013296 /nfs/dbraw/zinc/01/32/96/348013296.db2.gz IIZANDYPKCHQLC-AWEZNQCLSA-N 1 1 267.376 3.304 20 30 CGEDMO COc1cccc(C)c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000602705816 348013720 /nfs/dbraw/zinc/01/37/20/348013720.db2.gz MJWFOSDJRLRBBG-AWEZNQCLSA-N 1 1 258.365 3.129 20 30 CGEDMO N#CCC1(C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)CC1 ZINC000602789476 348029408 /nfs/dbraw/zinc/02/94/08/348029408.db2.gz VQVNDWPFKRPACT-KRWDZBQOSA-N 1 1 284.403 3.014 20 30 CGEDMO N#CCC1(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)CC1 ZINC000602786252 348029730 /nfs/dbraw/zinc/02/97/30/348029730.db2.gz FEBGQQWXSYNCLV-QWHCGFSZSA-N 1 1 250.411 3.040 20 30 CGEDMO N#CCC1(C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)CC1 ZINC000602768534 348025747 /nfs/dbraw/zinc/02/57/47/348025747.db2.gz WRDMFZDKSOSKHH-UHFFFAOYSA-N 1 1 268.360 3.175 20 30 CGEDMO N#CCC1(C[N@H+](CCCO)[C@@H]2CCc3ccccc32)CC1 ZINC000602780471 348027240 /nfs/dbraw/zinc/02/72/40/348027240.db2.gz UYCFOGKNPAHWJB-QGZVFWFLSA-N 1 1 284.403 3.052 20 30 CGEDMO N#CCC1(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)CC1 ZINC000602795293 348030727 /nfs/dbraw/zinc/03/07/27/348030727.db2.gz LEUKCCDMHWVIIM-INIZCTEOSA-N 1 1 269.392 3.257 20 30 CGEDMO N#CCC1(C[N@@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)CC1 ZINC000602831953 348034897 /nfs/dbraw/zinc/03/48/97/348034897.db2.gz MGTYXKGBDFWYCG-OAHLLOKOSA-N 1 1 290.794 3.487 20 30 CGEDMO Cc1nc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)cs1 ZINC000602905813 348042483 /nfs/dbraw/zinc/04/24/83/348042483.db2.gz DLLVXGKPPHUNRW-UHFFFAOYSA-N 1 1 298.415 3.098 20 30 CGEDMO C[N@H+](CCSc1ccccc1)[C@H]1CCC[C@H]1C#N ZINC000602979014 348050465 /nfs/dbraw/zinc/05/04/65/348050465.db2.gz ZXEQILUKZIIZLN-ZFWWWQNUSA-N 1 1 260.406 3.403 20 30 CGEDMO C[N@@H+](CCSc1ccccc1)[C@H]1CCC[C@H]1C#N ZINC000602979014 348050467 /nfs/dbraw/zinc/05/04/67/348050467.db2.gz ZXEQILUKZIIZLN-ZFWWWQNUSA-N 1 1 260.406 3.403 20 30 CGEDMO C[N@H+](C[C@@H]1CCC2(CCCC2)O1)[C@H]1CCC[C@H]1C#N ZINC000602980838 348050965 /nfs/dbraw/zinc/05/09/65/348050965.db2.gz WHLLMHKDGCCNGO-KKUMJFAQSA-N 1 1 262.397 3.102 20 30 CGEDMO C[N@@H+](C[C@@H]1CCC2(CCCC2)O1)[C@H]1CCC[C@H]1C#N ZINC000602980838 348050967 /nfs/dbraw/zinc/05/09/67/348050967.db2.gz WHLLMHKDGCCNGO-KKUMJFAQSA-N 1 1 262.397 3.102 20 30 CGEDMO C[N@@H+](C[C@@H]1CCCCC1(F)F)[C@@H]1CCC[C@@H]1C#N ZINC000602981934 348051665 /nfs/dbraw/zinc/05/16/65/348051665.db2.gz LOQUWTHSLCXAEV-FRRDWIJNSA-N 1 1 256.340 3.436 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000604070671 348108753 /nfs/dbraw/zinc/10/87/53/348108753.db2.gz PYQBPOACKVXXPS-UHFFFAOYSA-N 1 1 278.352 3.262 20 30 CGEDMO CC[N@H+](CCC(F)(F)F)Cc1ccc(C#N)cc1F ZINC000604525312 348123432 /nfs/dbraw/zinc/12/34/32/348123432.db2.gz MGMMLHAVZUFWBK-UHFFFAOYSA-N 1 1 274.261 3.472 20 30 CGEDMO CC[N@@H+](CCC(F)(F)F)Cc1ccc(C#N)cc1F ZINC000604525312 348123435 /nfs/dbraw/zinc/12/34/35/348123435.db2.gz MGMMLHAVZUFWBK-UHFFFAOYSA-N 1 1 274.261 3.472 20 30 CGEDMO COCc1cc(C[NH2+][C@H](CCCC#N)c2ccccc2)no1 ZINC000603429530 348082725 /nfs/dbraw/zinc/08/27/25/348082725.db2.gz RAYKMUYYVMRLBI-QGZVFWFLSA-N 1 1 299.374 3.346 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@H]1[C@H](C)CC ZINC000606434329 348182415 /nfs/dbraw/zinc/18/24/15/348182415.db2.gz UTTCQNAJRJNJKE-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCCCCN(C)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000606924762 348209498 /nfs/dbraw/zinc/20/94/98/348209498.db2.gz PIOGBRRPISGPEB-UHFFFAOYSA-N 1 1 295.471 3.249 20 30 CGEDMO N#Cc1ccc(C[NH2+]C2(c3ccc(F)cc3)CCC2)o1 ZINC000610270764 348369708 /nfs/dbraw/zinc/36/97/08/348369708.db2.gz HNFWIXZDJGJCOU-UHFFFAOYSA-N 1 1 270.307 3.459 20 30 CGEDMO CC(C)(C)C[C@@H]1CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610992200 348414816 /nfs/dbraw/zinc/41/48/16/348414816.db2.gz KXKZKIXCYPXBDE-HNNXBMFYSA-N 1 1 257.381 3.354 20 30 CGEDMO Cc1ccc([C@H](C)[N@@H+](C)Cc2ccnc(C#N)c2)cc1 ZINC000610992003 348415277 /nfs/dbraw/zinc/41/52/77/348415277.db2.gz OVFKRYVPEBIGTQ-AWEZNQCLSA-N 1 1 265.360 3.455 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@H](Cc3ccccc3)C2)ccn1 ZINC000610992932 348415462 /nfs/dbraw/zinc/41/54/62/348415462.db2.gz ULYKXRCSXQEYBO-QGZVFWFLSA-N 1 1 291.398 3.408 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)ccn1 ZINC000610993587 348416848 /nfs/dbraw/zinc/41/68/48/348416848.db2.gz YOYSYAPVOJTUKZ-MRXNPFEDSA-N 1 1 295.361 3.157 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@H](C)c2ccc(C#N)cc2)cn1 ZINC000610662031 348394492 /nfs/dbraw/zinc/39/44/92/348394492.db2.gz XJJFGKVXOZGAHC-CYBMUJFWSA-N 1 1 281.359 3.155 20 30 CGEDMO CC[N@H+]1CCN(c2ccc(C#N)cc2C(F)(F)F)C[C@@H]1C ZINC000611084592 348421556 /nfs/dbraw/zinc/42/15/56/348421556.db2.gz FXWKMOXACLSNAO-NSHDSACASA-N 1 1 297.324 3.107 20 30 CGEDMO Cc1cc(C)cc(OCC[N@@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000611091319 348422646 /nfs/dbraw/zinc/42/26/46/348422646.db2.gz UJZBJLSQQXQFHP-OAHLLOKOSA-N 1 1 272.392 3.306 20 30 CGEDMO Cc1cc(C)cc(OCC[N@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000611091319 348422651 /nfs/dbraw/zinc/42/26/51/348422651.db2.gz UJZBJLSQQXQFHP-OAHLLOKOSA-N 1 1 272.392 3.306 20 30 CGEDMO COC(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)o1 ZINC000611387264 348443513 /nfs/dbraw/zinc/44/35/13/348443513.db2.gz IVXQVFICGWGTSZ-RYUDHWBXSA-N 1 1 298.342 3.350 20 30 CGEDMO C[N@@H+](CCN[C@@H]1CCCc2cc(C#N)ccc21)C1CCCC1 ZINC000611392484 348445363 /nfs/dbraw/zinc/44/53/63/348445363.db2.gz XVVHKGGPMOFISP-LJQANCHMSA-N 1 1 297.446 3.400 20 30 CGEDMO CN(CC[NH2+][C@@H]1CCCc2cc(C#N)ccc21)C1CCCC1 ZINC000611392484 348445367 /nfs/dbraw/zinc/44/53/67/348445367.db2.gz XVVHKGGPMOFISP-LJQANCHMSA-N 1 1 297.446 3.400 20 30 CGEDMO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc(F)cn1 ZINC000611519524 348458147 /nfs/dbraw/zinc/45/81/47/348458147.db2.gz PWMJPDHMQJQEGJ-OAHLLOKOSA-N 1 1 287.313 3.472 20 30 CGEDMO Cc1nnc([C@@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)s1 ZINC000612829048 348549079 /nfs/dbraw/zinc/54/90/79/348549079.db2.gz JAJHEYHPHQSUTA-BMIGLBTASA-N 1 1 298.415 3.446 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000612585231 348530654 /nfs/dbraw/zinc/53/06/54/348530654.db2.gz SWKFBYDZGWBXDJ-UHFFFAOYSA-N 1 1 286.297 3.267 20 30 CGEDMO Cn1cc(C[NH2+]CC(C)(C)C#N)c(C2CCCCC2)n1 ZINC000612585522 348530662 /nfs/dbraw/zinc/53/06/62/348530662.db2.gz IPUIRCBCCDCTJI-UHFFFAOYSA-N 1 1 274.412 3.107 20 30 CGEDMO CC[C@H]1Cc2ccccc2C[N@H+]1Cc1ccnc(C#N)c1 ZINC000613497409 348611837 /nfs/dbraw/zinc/61/18/37/348611837.db2.gz CNOUYMCTSPKYPI-SFHVURJKSA-N 1 1 277.371 3.290 20 30 CGEDMO Cc1[nH+]ccn1CCCNc1nc(C(C)(C)C)ccc1C#N ZINC000613426140 348600618 /nfs/dbraw/zinc/60/06/18/348600618.db2.gz SIEVRMVFWWQYMH-UHFFFAOYSA-N 1 1 297.406 3.258 20 30 CGEDMO C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C[C@H]1CCCCO1 ZINC000614160556 348653587 /nfs/dbraw/zinc/65/35/87/348653587.db2.gz CDSGYMMKJBVRKS-QGZVFWFLSA-N 1 1 286.419 3.489 20 30 CGEDMO CC[N@H+]1C[C@@H](C)N(Cc2ccc(C(C)(C)C#N)cc2)C[C@H]1C ZINC000614178485 348656194 /nfs/dbraw/zinc/65/61/94/348656194.db2.gz FQICNVNCRUTTJE-HZPDHXFCSA-N 1 1 299.462 3.402 20 30 CGEDMO CCN1C[C@@H](C)[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@H]1C ZINC000614178485 348656198 /nfs/dbraw/zinc/65/61/98/348656198.db2.gz FQICNVNCRUTTJE-HZPDHXFCSA-N 1 1 299.462 3.402 20 30 CGEDMO CCN1C[C@@H](C)[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@H]1C ZINC000614178485 348656200 /nfs/dbraw/zinc/65/62/00/348656200.db2.gz FQICNVNCRUTTJE-HZPDHXFCSA-N 1 1 299.462 3.402 20 30 CGEDMO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2ccnc(C#N)c2)o1 ZINC000613503026 348612727 /nfs/dbraw/zinc/61/27/27/348612727.db2.gz IKUHQOYXNRAUAP-INIZCTEOSA-N 1 1 297.358 3.030 20 30 CGEDMO COCc1ccc([C@@H]2CCC[N@H+]2Cc2ccnc(C#N)c2)o1 ZINC000613503026 348612730 /nfs/dbraw/zinc/61/27/30/348612730.db2.gz IKUHQOYXNRAUAP-INIZCTEOSA-N 1 1 297.358 3.030 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000614407638 348674642 /nfs/dbraw/zinc/67/46/42/348674642.db2.gz UIQKUVXHWKOTLY-AWEZNQCLSA-N 1 1 280.318 3.070 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCOCC2(CCCC2)C1 ZINC000614406757 348674716 /nfs/dbraw/zinc/67/47/16/348674716.db2.gz PCPHGRWSHCEAMJ-UHFFFAOYSA-N 1 1 284.403 3.259 20 30 CGEDMO COC[C@H]1CCCC[N@@H+](Cc2ccc(C#N)cc2C)C1 ZINC000614406037 348674908 /nfs/dbraw/zinc/67/49/08/348674908.db2.gz PCEDQWUZJYBLEH-INIZCTEOSA-N 1 1 272.392 3.115 20 30 CGEDMO CC[N@@H+](Cc1c[nH]c2ccccc12)Cc1ccnc(C#N)c1 ZINC000615456110 348741272 /nfs/dbraw/zinc/74/12/72/348741272.db2.gz XGKGICQRJQYRGT-UHFFFAOYSA-N 1 1 290.370 3.457 20 30 CGEDMO Cc1cc(C[N@H+](Cc2ccccc2)C[C@H](C)O)ccc1C#N ZINC000618593599 349116121 /nfs/dbraw/zinc/11/61/21/349116121.db2.gz QLEILWRWUZJFKD-INIZCTEOSA-N 1 1 294.398 3.250 20 30 CGEDMO Cc1cc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)ccc1C#N ZINC000352018387 219291523 /nfs/dbraw/zinc/29/15/23/219291523.db2.gz QAQUFIHCFJMXPR-LBPRGKRZSA-N 1 1 264.319 3.344 20 30 CGEDMO CC[NH+](CC)[C@H](C)CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000619465952 349252800 /nfs/dbraw/zinc/25/28/00/349252800.db2.gz MOQZQQGTCJVFSO-KDOFPFPSSA-N 1 1 285.435 3.256 20 30 CGEDMO CC[C@@H](C)Oc1cc(C[NH2+]CC2(C#N)CC2)ccc1OC ZINC000619535219 349257640 /nfs/dbraw/zinc/25/76/40/349257640.db2.gz QYISCZHRDRSZNP-CYBMUJFWSA-N 1 1 288.391 3.266 20 30 CGEDMO C=CC[N@@H+](C[C@H](OC)c1ccc(F)cc1)[C@@H](C)COC ZINC000625530134 350181070 /nfs/dbraw/zinc/18/10/70/350181070.db2.gz IXBQUWDODBVLFY-BBRMVZONSA-N 1 1 281.371 3.036 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CC(=O)Nc2cccc(SC)c2)C1 ZINC000625699135 350197159 /nfs/dbraw/zinc/19/71/59/350197159.db2.gz AIVDTZBSEKQDRE-ZDUSSCGKSA-N 1 1 290.432 3.245 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2csc(N(C)C3CC3)n2)C1 ZINC000625700479 350198198 /nfs/dbraw/zinc/19/81/98/350198198.db2.gz IMVTVLYUIWPKGU-LBPRGKRZSA-N 1 1 277.437 3.140 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](C[C@@H](OC)c2ccc(F)cc2)C1 ZINC000625703339 350200085 /nfs/dbraw/zinc/20/00/85/350200085.db2.gz SJSUERCWHQVMLI-CZUORRHYSA-N 1 1 263.356 3.411 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCCC(F)(F)CC2)cc1 ZINC000625770218 350210535 /nfs/dbraw/zinc/21/05/35/350210535.db2.gz SEUQTCLBDZMZIG-UHFFFAOYSA-N 1 1 267.294 3.298 20 30 CGEDMO C=CCC1([NH2+]Cc2noc(C3CC3)n2)CCCCC1 ZINC000625936615 350233977 /nfs/dbraw/zinc/23/39/77/350233977.db2.gz RODLSUOVVBMODR-UHFFFAOYSA-N 1 1 261.369 3.316 20 30 CGEDMO C=C1CC[NH+](Cc2ccc(F)c(F)c2N(C)C)CC1 ZINC000628164656 350419004 /nfs/dbraw/zinc/41/90/04/350419004.db2.gz XRDGVRIIVDZENE-UHFFFAOYSA-N 1 1 266.335 3.183 20 30 CGEDMO C=CC[N@@H+](CCOC)Cc1ccsc1C(F)(F)F ZINC000628251469 350465274 /nfs/dbraw/zinc/46/52/74/350465274.db2.gz HZNASXJPMQQRIT-UHFFFAOYSA-N 1 1 279.327 3.401 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccsc1C(F)(F)F ZINC000628251469 350465277 /nfs/dbraw/zinc/46/52/77/350465277.db2.gz HZNASXJPMQQRIT-UHFFFAOYSA-N 1 1 279.327 3.401 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@]1(C)CCCS1 ZINC000628272755 350473608 /nfs/dbraw/zinc/47/36/08/350473608.db2.gz XRVYXLZSPQSBQJ-INIZCTEOSA-N 1 1 295.448 3.436 20 30 CGEDMO CC[N@H+](Cc1ccc(-c2ccccc2C#N)cc1)C[C@H](C)O ZINC000352209673 219362471 /nfs/dbraw/zinc/36/24/71/219362471.db2.gz CKUCILVURLMVGO-HNNXBMFYSA-N 1 1 294.398 3.428 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(OC)cc2)C1 ZINC000628404968 350528671 /nfs/dbraw/zinc/52/86/71/350528671.db2.gz AEWWEIYUAAFKTA-CQSZACIVSA-N 1 1 297.402 3.483 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccccc2OCCOC)C1 ZINC000628405251 350528887 /nfs/dbraw/zinc/52/88/87/350528887.db2.gz HNMUDLLGVJUIEE-HNNXBMFYSA-N 1 1 275.392 3.110 20 30 CGEDMO COc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)cc1C#N ZINC000291451189 198025908 /nfs/dbraw/zinc/02/59/08/198025908.db2.gz CKZIYCFSSDJQMW-KRWDZBQOSA-N 1 1 282.387 3.331 20 30 CGEDMO C=C(Cl)CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000271435566 191137092 /nfs/dbraw/zinc/13/70/92/191137092.db2.gz COXXMSDZRHYFDQ-CZUORRHYSA-N 1 1 278.827 3.239 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)[C@@H](C)c1ccc(OC)cc1 ZINC000121870317 187001853 /nfs/dbraw/zinc/00/18/53/187001853.db2.gz IFMKZZZSXBDAJA-DZGCQCFKSA-N 1 1 263.381 3.015 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](CCC)Cc1ccc(C#N)cc1 ZINC000122978715 187063640 /nfs/dbraw/zinc/06/36/40/187063640.db2.gz MZOIKCFUCQDPKN-KRWDZBQOSA-N 1 1 272.392 3.097 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000336393024 213250129 /nfs/dbraw/zinc/25/01/29/213250129.db2.gz WBYPWNOMYAPPHC-NSHDSACASA-N 1 1 280.318 3.044 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000336393024 213250132 /nfs/dbraw/zinc/25/01/32/213250132.db2.gz WBYPWNOMYAPPHC-NSHDSACASA-N 1 1 280.318 3.044 20 30 CGEDMO C[C@H]1CC(C)(C)C[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000412021862 235106119 /nfs/dbraw/zinc/10/61/19/235106119.db2.gz NVANCJUGKMPVNF-NSHDSACASA-N 1 1 291.420 3.069 20 30 CGEDMO C#CCCC[N@H+](C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273546294 192196112 /nfs/dbraw/zinc/19/61/12/192196112.db2.gz UQVPJAKRDXHPOE-IAGOWNOFSA-N 1 1 275.367 3.391 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CCCc2occc2C1 ZINC000367995306 283214161 /nfs/dbraw/zinc/21/41/61/283214161.db2.gz YYZLLYPHIHIYTM-UHFFFAOYSA-N 1 1 252.317 3.100 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCCc2occc2C1 ZINC000367995306 283214163 /nfs/dbraw/zinc/21/41/63/283214163.db2.gz YYZLLYPHIHIYTM-UHFFFAOYSA-N 1 1 252.317 3.100 20 30 CGEDMO N#Cc1ccccc1N1CCC[N@H+]([C@@H]2C=CCCC2)CC1 ZINC000246227959 283215577 /nfs/dbraw/zinc/21/55/77/283215577.db2.gz GCECQAROLWSNAQ-QGZVFWFLSA-N 1 1 281.403 3.179 20 30 CGEDMO C[C@H]1CCC[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2C#N)C1 ZINC000098110859 138349710 /nfs/dbraw/zinc/34/97/10/138349710.db2.gz KGSMCGVGIRKWFW-GOEBONIOSA-N 1 1 299.418 3.397 20 30 CGEDMO CN(CC[N@H+](C)Cc1cc(C#N)ccc1F)c1ccccc1 ZINC000107683451 138358547 /nfs/dbraw/zinc/35/85/47/138358547.db2.gz HZYJIEKEGHVKMJ-UHFFFAOYSA-N 1 1 297.377 3.266 20 30 CGEDMO CN(CC[N@@H+](C)Cc1cc(C#N)ccc1F)c1ccccc1 ZINC000107683451 138358548 /nfs/dbraw/zinc/35/85/48/138358548.db2.gz HZYJIEKEGHVKMJ-UHFFFAOYSA-N 1 1 297.377 3.266 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@]3(CCCOC3)C2)c(F)c1 ZINC000336317429 213161020 /nfs/dbraw/zinc/16/10/20/213161020.db2.gz SDOWLSUXPQIPCI-KRWDZBQOSA-N 1 1 288.366 3.090 20 30 CGEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)s2)C1(C)C ZINC000129959419 138398548 /nfs/dbraw/zinc/39/85/48/138398548.db2.gz TXBPGNBFPVOBHU-KGLIPLIRSA-N 1 1 278.421 3.255 20 30 CGEDMO Cc1cc(N(C)[C@H](C)c2cccc(C#N)c2)nc(C)[nH+]1 ZINC000425284194 236227332 /nfs/dbraw/zinc/22/73/32/236227332.db2.gz QCWUFKVCESFIAL-GFCCVEGCSA-N 1 1 266.348 3.163 20 30 CGEDMO CCC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000341600398 216028838 /nfs/dbraw/zinc/02/88/38/216028838.db2.gz BPJDHSLJYIIZOL-GJZGRUSLSA-N 1 1 299.418 3.397 20 30 CGEDMO C=CC[NH+]1CCC(N[C@@H](C)c2cc(F)c(F)c(F)c2)CC1 ZINC000177908445 189078420 /nfs/dbraw/zinc/07/84/20/189078420.db2.gz HDVRKCHKESUTEC-NSHDSACASA-N 1 1 298.352 3.405 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000179874080 189225031 /nfs/dbraw/zinc/22/50/31/189225031.db2.gz QFAUTQGYOPXFIM-UHFFFAOYSA-N 1 1 294.402 3.357 20 30 CGEDMO C[C@H]([NH2+]Cc1cccc(C#N)c1F)c1ccccc1[N+](=O)[O-] ZINC000342288733 216292055 /nfs/dbraw/zinc/29/20/55/216292055.db2.gz ABZOFIFZPLPYMM-NSHDSACASA-N 1 1 299.305 3.456 20 30 CGEDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000119396331 370672312 /nfs/dbraw/zinc/67/23/12/370672312.db2.gz FGNBDNIWWIJSTD-CYBMUJFWSA-N 1 1 298.361 3.466 20 30 CGEDMO CCc1cnc(C[NH2+][C@H](C)c2cccc(C#N)c2)s1 ZINC000181834501 189308040 /nfs/dbraw/zinc/30/80/40/189308040.db2.gz HQMPRQHWSCVOJV-LLVKDONJSA-N 1 1 271.389 3.428 20 30 CGEDMO CC(C)(C#N)CC[N@@H+]1CCc2c(F)cc(F)cc2C1 ZINC000119996111 370730338 /nfs/dbraw/zinc/73/03/38/370730338.db2.gz AHGQRBHCURDJER-UHFFFAOYSA-N 1 1 264.319 3.263 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCc2c(F)cc(F)cc2C1 ZINC000119996111 370730342 /nfs/dbraw/zinc/73/03/42/370730342.db2.gz AHGQRBHCURDJER-UHFFFAOYSA-N 1 1 264.319 3.263 20 30 CGEDMO C[N@H+](CCC(C)(C)C#N)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000119926903 370723510 /nfs/dbraw/zinc/72/35/10/370723510.db2.gz JXEQMKFXQDWKPB-MRXNPFEDSA-N 1 1 299.418 3.054 20 30 CGEDMO C[N@@H+](CCC(C)(C)C#N)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000119926903 370723516 /nfs/dbraw/zinc/72/35/16/370723516.db2.gz JXEQMKFXQDWKPB-MRXNPFEDSA-N 1 1 299.418 3.054 20 30 CGEDMO CCCO[C@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000120469377 370769946 /nfs/dbraw/zinc/76/99/46/370769946.db2.gz LPJWQCOPYILAOU-INIZCTEOSA-N 1 1 290.382 3.478 20 30 CGEDMO C[C@@]1(F)CCC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000451118489 240222987 /nfs/dbraw/zinc/22/29/87/240222987.db2.gz YDCUOBJGJMGHFZ-MRXNPFEDSA-N 1 1 276.355 3.151 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000451966325 240388519 /nfs/dbraw/zinc/38/85/19/240388519.db2.gz OMCIMNIMPUJZFY-INIZCTEOSA-N 1 1 290.407 3.416 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000451966325 240388523 /nfs/dbraw/zinc/38/85/23/240388523.db2.gz OMCIMNIMPUJZFY-INIZCTEOSA-N 1 1 290.407 3.416 20 30 CGEDMO CCC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000120857677 370807994 /nfs/dbraw/zinc/80/79/94/370807994.db2.gz QNPFQMIGUJXCFS-HNNXBMFYSA-N 1 1 299.418 3.399 20 30 CGEDMO C=C(C)C[NH2+][C@H](C)c1nc(C(F)(F)F)cs1 ZINC000275730354 193114599 /nfs/dbraw/zinc/11/45/99/193114599.db2.gz OVQAXUQLAODGBN-SSDOTTSWSA-N 1 1 250.289 3.389 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@@H](C)C1(C)CC1 ZINC000121183484 370837315 /nfs/dbraw/zinc/83/73/15/370837315.db2.gz IDTVRYGJIUCZSE-LBPRGKRZSA-N 1 1 258.365 3.187 20 30 CGEDMO C=CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000121428546 370860015 /nfs/dbraw/zinc/86/00/15/370860015.db2.gz GMTSAVZZPODJEN-SECBINFHSA-N 1 1 287.190 3.438 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl ZINC000121428546 370860020 /nfs/dbraw/zinc/86/00/20/370860020.db2.gz GMTSAVZZPODJEN-SECBINFHSA-N 1 1 287.190 3.438 20 30 CGEDMO CCOC[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000459718326 242190701 /nfs/dbraw/zinc/19/07/01/242190701.db2.gz RFFNQWNYCCRESP-MRXNPFEDSA-N 1 1 276.355 3.088 20 30 CGEDMO CCOC[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000459718326 242190705 /nfs/dbraw/zinc/19/07/05/242190705.db2.gz RFFNQWNYCCRESP-MRXNPFEDSA-N 1 1 276.355 3.088 20 30 CGEDMO C[C@@H]1[C@@H](Nc2ccc(C(F)(F)F)c(C#N)c2)CCC[N@H+]1C ZINC000463497210 242398900 /nfs/dbraw/zinc/39/89/00/242398900.db2.gz TWLPLFOIMCTXAP-YGRLFVJLSA-N 1 1 297.324 3.472 20 30 CGEDMO C=CC[N@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000121515534 370868732 /nfs/dbraw/zinc/86/87/32/370868732.db2.gz LJXMJBXTWWBTNB-UHFFFAOYSA-N 1 1 269.266 3.055 20 30 CGEDMO C=CC[N@@H+](C)CCCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000121579292 370875583 /nfs/dbraw/zinc/87/55/83/370875583.db2.gz MONDRSJFGZCGGK-UHFFFAOYSA-N 1 1 289.354 3.235 20 30 CGEDMO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C1CCCCCC1 ZINC000014705101 368683691 /nfs/dbraw/zinc/68/36/91/368683691.db2.gz QDEDOPSDGOECFY-UHFFFAOYSA-N 1 1 285.391 3.151 20 30 CGEDMO C=C(Br)C[NH2+][C@@H](C)c1cc(F)ccc1OC ZINC000125095438 370931243 /nfs/dbraw/zinc/93/12/43/370931243.db2.gz ZSORRMXRQGPAQI-VIFPVBQESA-N 1 1 288.160 3.394 20 30 CGEDMO COc1cc(C[NH+]2CCC(C#N)CC2)ccc1OC(C)C ZINC000123675066 370914950 /nfs/dbraw/zinc/91/49/50/370914950.db2.gz ABCSAEVXUKPOJS-UHFFFAOYSA-N 1 1 288.391 3.218 20 30 CGEDMO C=CCc1cc(C[N@H+](CC)C(C)C)cc(OC)c1O ZINC000126358572 370944511 /nfs/dbraw/zinc/94/45/11/370944511.db2.gz UXNVAHSVXZCILU-UHFFFAOYSA-N 1 1 263.381 3.360 20 30 CGEDMO CCC[N@@H+](CCC(=O)Nc1ccccc1C#N)C(C)C ZINC000037096155 369062113 /nfs/dbraw/zinc/06/21/13/369062113.db2.gz LKCLNICFXWUVEO-UHFFFAOYSA-N 1 1 273.380 3.007 20 30 CGEDMO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cc2F)o1 ZINC000037980184 369131412 /nfs/dbraw/zinc/13/14/12/369131412.db2.gz CDBBPECSUXRTQS-NSHDSACASA-N 1 1 258.296 3.450 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(Br)cc1 ZINC000042255656 369208923 /nfs/dbraw/zinc/20/89/23/369208923.db2.gz MVDXMCPRERITBZ-LBPRGKRZSA-N 1 1 267.170 3.231 20 30 CGEDMO CC(C)[N@H+](CCC#N)Cc1ccc2ncccc2c1 ZINC000042530608 369223661 /nfs/dbraw/zinc/22/36/61/369223661.db2.gz CEUPOUNQCJEGCX-UHFFFAOYSA-N 1 1 253.349 3.359 20 30 CGEDMO CC(C)[N@@H+](CCC#N)Cc1ccc2ncccc2c1 ZINC000042530608 369223667 /nfs/dbraw/zinc/22/36/67/369223667.db2.gz CEUPOUNQCJEGCX-UHFFFAOYSA-N 1 1 253.349 3.359 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc(F)cc1F ZINC000043627474 369255042 /nfs/dbraw/zinc/25/50/42/369255042.db2.gz QNCUGEAZPIABAU-UHFFFAOYSA-N 1 1 272.298 3.468 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(F)cc1F ZINC000043627474 369255047 /nfs/dbraw/zinc/25/50/47/369255047.db2.gz QNCUGEAZPIABAU-UHFFFAOYSA-N 1 1 272.298 3.468 20 30 CGEDMO C=CCOc1ccccc1C[NH2+][C@@H](C)CN(CC)CC ZINC000045692471 369285008 /nfs/dbraw/zinc/28/50/08/369285008.db2.gz HGWDXADIFCIALD-HNNXBMFYSA-N 1 1 276.424 3.071 20 30 CGEDMO CC1CCC([N@@H+](C)C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000048970443 369378381 /nfs/dbraw/zinc/37/83/81/369378381.db2.gz SDGVBENZKASITE-QWFMPGPPSA-N 1 1 272.392 3.102 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000129533666 370991897 /nfs/dbraw/zinc/99/18/97/370991897.db2.gz RLAWSZZLGSTJIZ-SFHVURJKSA-N 1 1 294.398 3.220 20 30 CGEDMO C=CCC[N@H+](C)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000276452100 193336239 /nfs/dbraw/zinc/33/62/39/193336239.db2.gz PPHGGZRBKULDEG-UHFFFAOYSA-N 1 1 291.782 3.440 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC000276422675 193324364 /nfs/dbraw/zinc/32/43/64/193324364.db2.gz MSNUBCCREVQRFF-LLVKDONJSA-N 1 1 296.798 3.184 20 30 CGEDMO C=CC[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000068831461 369749279 /nfs/dbraw/zinc/74/92/79/369749279.db2.gz SBFBUOLCPDWYQZ-UHFFFAOYSA-N 1 1 274.191 3.364 20 30 CGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCCC(C)(C)C1 ZINC000070259006 369792981 /nfs/dbraw/zinc/79/29/81/369792981.db2.gz OCZXBHHHKBNQRC-ZDUSSCGKSA-N 1 1 285.391 3.007 20 30 CGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCC(C)(C)C1 ZINC000070259006 369792986 /nfs/dbraw/zinc/79/29/86/369792986.db2.gz OCZXBHHHKBNQRC-ZDUSSCGKSA-N 1 1 285.391 3.007 20 30 CGEDMO CCCC[N@@H+](C)[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000073601585 369860681 /nfs/dbraw/zinc/86/06/81/369860681.db2.gz HWNWRYNFPYBTOG-CKDBGZEDSA-N 1 1 293.455 3.038 20 30 CGEDMO CC(C)[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CCC1 ZINC000077357155 369945719 /nfs/dbraw/zinc/94/57/19/369945719.db2.gz VKVURWJHUBCPSS-UHFFFAOYSA-N 1 1 285.391 3.150 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000092067023 370093710 /nfs/dbraw/zinc/09/37/10/370093710.db2.gz REZWONOPZNGQEG-NVXWUHKLSA-N 1 1 289.467 3.265 20 30 CGEDMO C=CCOc1ccccc1CN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253616 370095319 /nfs/dbraw/zinc/09/53/19/370095319.db2.gz PLTMROIMXLAEFC-INIZCTEOSA-N 1 1 288.435 3.025 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H](COC)C2)cc1 ZINC000093337363 370118506 /nfs/dbraw/zinc/11/85/06/370118506.db2.gz MULSXNOBKBCVNK-INIZCTEOSA-N 1 1 275.392 3.110 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000093443849 370131188 /nfs/dbraw/zinc/13/11/88/370131188.db2.gz XOCQJGBLFKBEOA-UHFFFAOYSA-N 1 1 287.363 3.283 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1NC(C)=O)C1CCCC1 ZINC000093819832 370161650 /nfs/dbraw/zinc/16/16/50/370161650.db2.gz ZPSJMDQIQPGFMY-UHFFFAOYSA-N 1 1 270.376 3.023 20 30 CGEDMO C[N@H+](CCOc1ccccc1)Cc1ccc(F)cc1C#N ZINC000103138689 370319941 /nfs/dbraw/zinc/31/99/41/370319941.db2.gz LYABTQSWWACFRT-UHFFFAOYSA-N 1 1 284.334 3.208 20 30 CGEDMO C[N@@H+](CCOc1ccccc1)Cc1ccc(F)cc1C#N ZINC000103138689 370319945 /nfs/dbraw/zinc/31/99/45/370319945.db2.gz LYABTQSWWACFRT-UHFFFAOYSA-N 1 1 284.334 3.208 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000102401340 370304179 /nfs/dbraw/zinc/30/41/79/370304179.db2.gz PHBHFKOUQOHSMV-CYBMUJFWSA-N 1 1 287.338 3.241 20 30 CGEDMO C[C@@H](c1ccco1)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000119017597 370636283 /nfs/dbraw/zinc/63/62/83/370636283.db2.gz WAKBPJGKVHDUPQ-NSHDSACASA-N 1 1 258.296 3.483 20 30 CGEDMO CCOC[C@H]1CCC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000118399945 370613963 /nfs/dbraw/zinc/61/39/63/370613963.db2.gz FYGOQUOYCMPRCM-HOCLYGCPSA-N 1 1 272.392 3.368 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCCCC[C@@H]1C ZINC000130471410 371036887 /nfs/dbraw/zinc/03/68/87/371036887.db2.gz FSIAFFZNFWMHDU-ZDUSSCGKSA-N 1 1 258.365 3.331 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](C)CCc1cccs1 ZINC000130485404 371038131 /nfs/dbraw/zinc/03/81/31/371038131.db2.gz GOSXHZYOFYYOLW-UHFFFAOYSA-N 1 1 286.400 3.303 20 30 CGEDMO NC(=[NH+]OCc1ccc(Cl)nc1)C1CCCCC1 ZINC000131248364 371092783 /nfs/dbraw/zinc/09/27/83/371092783.db2.gz VTYXSVIBDZRDKO-UHFFFAOYSA-N 1 1 267.760 3.104 20 30 CGEDMO COc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C)no2)cc1C#N ZINC000331762175 204133663 /nfs/dbraw/zinc/13/36/63/204133663.db2.gz AECFMHGTKYOOKF-HNNXBMFYSA-N 1 1 297.358 3.200 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@H]2c2cc(C)no2)cc1C#N ZINC000331762175 204133669 /nfs/dbraw/zinc/13/36/69/204133669.db2.gz AECFMHGTKYOOKF-HNNXBMFYSA-N 1 1 297.358 3.200 20 30 CGEDMO C=CCC[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000132460608 371176069 /nfs/dbraw/zinc/17/60/69/371176069.db2.gz ZPXIFZLVZIFKBZ-UHFFFAOYSA-N 1 1 284.403 3.119 20 30 CGEDMO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC000135134449 371392642 /nfs/dbraw/zinc/39/26/42/371392642.db2.gz JHKMSGYUFIMJDQ-LBPRGKRZSA-N 1 1 270.332 3.319 20 30 CGEDMO C[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2C(C)(C)C#N)CCN1C ZINC000135249053 371406382 /nfs/dbraw/zinc/40/63/82/371406382.db2.gz ZJPRFRFFZUMGRA-NVXWUHKLSA-N 1 1 299.462 3.402 20 30 CGEDMO C[C@@H]1C[C@H](N(C)Cc2ccccc2C(C)(C)C#N)CC[N@@H+]1C ZINC000135249053 371406410 /nfs/dbraw/zinc/40/64/10/371406410.db2.gz ZJPRFRFFZUMGRA-NVXWUHKLSA-N 1 1 299.462 3.402 20 30 CGEDMO C[C@@H]1C[C@H](N(C)Cc2ccccc2C(C)(C)C#N)CC[N@H+]1C ZINC000135249053 371406413 /nfs/dbraw/zinc/40/64/13/371406413.db2.gz ZJPRFRFFZUMGRA-NVXWUHKLSA-N 1 1 299.462 3.402 20 30 CGEDMO Cc1cnc([C@H](C)[NH2+]Cc2ccc(C#N)s2)s1 ZINC000135806831 371448270 /nfs/dbraw/zinc/44/82/70/371448270.db2.gz SVQZPJGGJPIAQD-VIFPVBQESA-N 1 1 263.391 3.236 20 30 CGEDMO C#CCCC[N@H+]1CCCn2c(cc3ccccc32)C1 ZINC000287220045 371622430 /nfs/dbraw/zinc/62/24/30/371622430.db2.gz GRHZADBLEPSLSM-UHFFFAOYSA-N 1 1 252.361 3.260 20 30 CGEDMO C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H](C)S1 ZINC000153876339 371796769 /nfs/dbraw/zinc/79/67/69/371796769.db2.gz RDTZCDJHBIDFFT-BETUJISGSA-N 1 1 263.381 3.003 20 30 CGEDMO Cc1cnn([C@@H]2CC[N@H+]([C@@H](C)c3cccc(C#N)c3)C2)c1 ZINC000289739472 371805608 /nfs/dbraw/zinc/80/56/08/371805608.db2.gz DWCVANYPGYHNFP-WMLDXEAASA-N 1 1 280.375 3.071 20 30 CGEDMO C=CCC[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000154493163 371850288 /nfs/dbraw/zinc/85/02/88/371850288.db2.gz KUMRVUFYNFUPTN-UHFFFAOYSA-N 1 1 278.371 3.441 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCC1(F)F ZINC000289954743 371861711 /nfs/dbraw/zinc/86/17/11/371861711.db2.gz WESONABDCBBYQF-NSHDSACASA-N 1 1 250.292 3.035 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)Cc1c(C)nn(C)c1C ZINC000154733451 371874655 /nfs/dbraw/zinc/87/46/55/371874655.db2.gz QJFPCARVBQGYBV-UHFFFAOYSA-N 1 1 275.421 3.287 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)Cc1c(C)nn(C)c1C ZINC000154733451 371874662 /nfs/dbraw/zinc/87/46/62/371874662.db2.gz QJFPCARVBQGYBV-UHFFFAOYSA-N 1 1 275.421 3.287 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000344100578 217049781 /nfs/dbraw/zinc/04/97/81/217049781.db2.gz NIBXWEJLSZWMPS-CQSZACIVSA-N 1 1 258.340 3.319 20 30 CGEDMO CC#CCC[N@@H+](C)Cc1ccc(Br)s1 ZINC000155055078 371901873 /nfs/dbraw/zinc/90/18/73/371901873.db2.gz XXEYUEJYCLVWHJ-UHFFFAOYSA-N 1 1 272.211 3.356 20 30 CGEDMO COc1ccc(C[N@@H+](C)C[C@@H]2CC=CCC2)cc1C#N ZINC000344096022 217046947 /nfs/dbraw/zinc/04/69/47/217046947.db2.gz WLYWUDQVLSGNDJ-CQSZACIVSA-N 1 1 270.376 3.355 20 30 CGEDMO C#Cc1ccc(C[NH2+]Cc2nc(C3CC3)cs2)cc1 ZINC000290338610 371965072 /nfs/dbraw/zinc/96/50/72/371965072.db2.gz KXBVFIHWJFPSMM-UHFFFAOYSA-N 1 1 268.385 3.292 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](C3CC3)C2)c1 ZINC000344127798 217063368 /nfs/dbraw/zinc/06/33/68/217063368.db2.gz WOVXMVSZJNWBQA-CQSZACIVSA-N 1 1 258.340 3.319 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000157503419 372024479 /nfs/dbraw/zinc/02/44/79/372024479.db2.gz PZUPLHFWYVMREV-OAHLLOKOSA-N 1 1 299.418 3.277 20 30 CGEDMO CC[N@H+](CCSc1ccc(F)cc1)C[C@H](C)C#N ZINC000157679034 372033022 /nfs/dbraw/zinc/03/30/22/372033022.db2.gz YJXCQHULDLQSLG-GFCCVEGCSA-N 1 1 266.385 3.399 20 30 CGEDMO CC[N@@H+](CCSc1ccc(F)cc1)C[C@H](C)C#N ZINC000157679034 372033023 /nfs/dbraw/zinc/03/30/23/372033023.db2.gz YJXCQHULDLQSLG-GFCCVEGCSA-N 1 1 266.385 3.399 20 30 CGEDMO CCCCCCC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000158035578 372048165 /nfs/dbraw/zinc/04/81/65/372048165.db2.gz BKYRZVUYRSDNLS-GOSISDBHSA-N 1 1 295.515 3.059 20 30 CGEDMO CCCCCCCN1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000158035578 372048169 /nfs/dbraw/zinc/04/81/69/372048169.db2.gz BKYRZVUYRSDNLS-GOSISDBHSA-N 1 1 295.515 3.059 20 30 CGEDMO CCCCCCCN1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000158035578 372048172 /nfs/dbraw/zinc/04/81/72/372048172.db2.gz BKYRZVUYRSDNLS-GOSISDBHSA-N 1 1 295.515 3.059 20 30 CGEDMO Cc1ccc2c(C)cc(N[C@@H]3CC[C@H](C#N)C3)[nH+]c2c1 ZINC000425273440 372118076 /nfs/dbraw/zinc/11/80/76/372118076.db2.gz OINARMGIINEVFE-UONOGXRCSA-N 1 1 265.360 3.378 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)CC)nc1 ZINC000426570442 372164751 /nfs/dbraw/zinc/16/47/51/372164751.db2.gz LEZDKMMJUNWEGZ-OAHLLOKOSA-N 1 1 259.397 3.078 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cccc(OCCOC)c1 ZINC000426570847 372164786 /nfs/dbraw/zinc/16/47/86/372164786.db2.gz PIOVEXPPQHXCAI-INIZCTEOSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CC[N@H+](C)Cc1c(C)nn(Cc2ccc(OC)cc2)c1C ZINC000428389528 372189797 /nfs/dbraw/zinc/18/97/97/372189797.db2.gz QEFVDTAFWAVTSU-UHFFFAOYSA-N 1 1 299.418 3.175 20 30 CGEDMO CC(C)[N@@H+](CCc1nccs1)Cc1ccccc1C#N ZINC000159877131 372190710 /nfs/dbraw/zinc/19/07/10/372190710.db2.gz FBPWMBFDXBEBRU-UHFFFAOYSA-N 1 1 285.416 3.468 20 30 CGEDMO COCC[C@@H]1CCCC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000428436647 372200690 /nfs/dbraw/zinc/20/06/90/372200690.db2.gz GDAVOPPQZQZCQS-AWEZNQCLSA-N 1 1 290.382 3.336 20 30 CGEDMO C[C@@H](NCC1([NH+](C)C)CCCC1)c1cccc(C#N)c1 ZINC000160697840 372269550 /nfs/dbraw/zinc/26/95/50/372269550.db2.gz SBVPRYYTFHVMSA-CQSZACIVSA-N 1 1 271.408 3.083 20 30 CGEDMO COC[C@H]1CCCC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000344320734 217148287 /nfs/dbraw/zinc/14/82/87/217148287.db2.gz HGGSIGNCKXXRJN-ZBFHGGJFSA-N 1 1 272.392 3.368 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000429224323 372323305 /nfs/dbraw/zinc/32/33/05/372323305.db2.gz BBLJOWLYSYLIGP-ZBFHGGJFSA-N 1 1 251.414 3.480 20 30 CGEDMO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1CCC(C)(C)C#N ZINC000429239627 372328079 /nfs/dbraw/zinc/32/80/79/372328079.db2.gz VHLQMUCVRSHJOD-CQSZACIVSA-N 1 1 289.398 3.276 20 30 CGEDMO Cc1ccoc1C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000344351088 217165071 /nfs/dbraw/zinc/16/50/71/217165071.db2.gz MOHNVJWGVBUKOT-LLVKDONJSA-N 1 1 258.296 3.450 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)[C@H](C)c1ccc(F)cc1 ZINC000429702201 372377013 /nfs/dbraw/zinc/37/70/13/372377013.db2.gz MZRMITYMBSBGDX-CQSZACIVSA-N 1 1 264.388 3.326 20 30 CGEDMO C=CC[N@@H+](C)CCN(CC)[C@H](C)c1ccc(F)cc1 ZINC000429702201 372377022 /nfs/dbraw/zinc/37/70/22/372377022.db2.gz MZRMITYMBSBGDX-CQSZACIVSA-N 1 1 264.388 3.326 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)[C@H](C)c1ccc(F)cc1 ZINC000429702201 372377029 /nfs/dbraw/zinc/37/70/29/372377029.db2.gz MZRMITYMBSBGDX-CQSZACIVSA-N 1 1 264.388 3.326 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000293488492 372394526 /nfs/dbraw/zinc/39/45/26/372394526.db2.gz YVNHUFKCROSDRU-BEFAXECRSA-N 1 1 294.398 3.155 20 30 CGEDMO C=CCOCC[N@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000293501066 372395605 /nfs/dbraw/zinc/39/56/05/372395605.db2.gz NQJSOSMMZZWHGF-NSHDSACASA-N 1 1 255.308 3.160 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1Cl)C[C@@H]1CCCOC1 ZINC000162909022 372432657 /nfs/dbraw/zinc/43/26/57/372432657.db2.gz FQJSPQURRCSTSF-ZDUSSCGKSA-N 1 1 278.783 3.070 20 30 CGEDMO C=CCC(C)(C)CNC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000432093879 372535715 /nfs/dbraw/zinc/53/57/15/372535715.db2.gz SEBXHTILKFPKKW-GASCZTMLSA-N 1 1 295.471 3.151 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H]2CF)cc1OC ZINC000293938392 372529864 /nfs/dbraw/zinc/52/98/64/372529864.db2.gz HWFGJWDRDSLELB-AWEZNQCLSA-N 1 1 279.355 3.194 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H]2CF)cc1OC ZINC000293938392 372529875 /nfs/dbraw/zinc/52/98/75/372529875.db2.gz HWFGJWDRDSLELB-AWEZNQCLSA-N 1 1 279.355 3.194 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)CCC1CCOCC1 ZINC000432836577 372573633 /nfs/dbraw/zinc/57/36/33/372573633.db2.gz VGDDELYROJGAOV-UHFFFAOYSA-N 1 1 266.429 3.455 20 30 CGEDMO C[C@H]1CCCC[C@@H]1OCC[N@H+](C)CC(C)(C)C#N ZINC000433309779 372587336 /nfs/dbraw/zinc/58/73/36/372587336.db2.gz CXJIVVPMMHBEHE-KBPBESRZSA-N 1 1 252.402 3.063 20 30 CGEDMO C[C@H]1CCCC[C@@H]1OCC[N@@H+](C)CC(C)(C)C#N ZINC000433309779 372587342 /nfs/dbraw/zinc/58/73/42/372587342.db2.gz CXJIVVPMMHBEHE-KBPBESRZSA-N 1 1 252.402 3.063 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433307508 372588739 /nfs/dbraw/zinc/58/87/39/372588739.db2.gz VPSSLFGXABPSTN-GOEBONIOSA-N 1 1 279.811 3.456 20 30 CGEDMO C[C@@H](CC[N@@H+](C)CC(C)(C)C#N)OCc1ccccc1 ZINC000433319113 372592377 /nfs/dbraw/zinc/59/23/77/372592377.db2.gz NKSQIOOBHAXXAX-HNNXBMFYSA-N 1 1 274.408 3.463 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000295138738 372694886 /nfs/dbraw/zinc/69/48/86/372694886.db2.gz IVWCZUWBQUFDEN-HNNXBMFYSA-N 1 1 288.435 3.225 20 30 CGEDMO C[N@@H+](CCC(=O)c1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000171137305 372718286 /nfs/dbraw/zinc/71/82/86/372718286.db2.gz LLQRNFNLCXMDHE-UHFFFAOYSA-N 1 1 296.345 3.402 20 30 CGEDMO C=C(Br)CN(C)Cc1[nH+]cc(C)c(OC)c1C ZINC000295230344 372709093 /nfs/dbraw/zinc/70/90/93/372709093.db2.gz WTOXSHHCJSZUQX-UHFFFAOYSA-N 1 1 299.212 3.047 20 30 CGEDMO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1 ZINC000171121745 372715168 /nfs/dbraw/zinc/71/51/68/372715168.db2.gz SOKUBVRAZYQGAB-RDJZCZTQSA-N 1 1 297.402 3.151 20 30 CGEDMO CC[N@@H+](CC1CCOCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000171824894 372834980 /nfs/dbraw/zinc/83/49/80/372834980.db2.gz LKACZNTURCFYOF-AWEZNQCLSA-N 1 1 272.392 3.368 20 30 CGEDMO C[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000171946204 372864602 /nfs/dbraw/zinc/86/46/02/372864602.db2.gz DFLSIPVVIJRBEV-ZDUSSCGKSA-N 1 1 251.333 3.146 20 30 CGEDMO C=CCOCC[N@H+]1CCC[C@H]1c1nc2cc(C)ccc2[nH]1 ZINC000295671782 372870686 /nfs/dbraw/zinc/87/06/86/372870686.db2.gz BIGJIIJJAJVNDG-INIZCTEOSA-N 1 1 285.391 3.211 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@H]1c1nc2cc(C)ccc2[nH]1 ZINC000295671782 372870694 /nfs/dbraw/zinc/87/06/94/372870694.db2.gz BIGJIIJJAJVNDG-INIZCTEOSA-N 1 1 285.391 3.211 20 30 CGEDMO C=CCOCC[N@H+]1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000295671782 372870702 /nfs/dbraw/zinc/87/07/02/372870702.db2.gz BIGJIIJJAJVNDG-INIZCTEOSA-N 1 1 285.391 3.211 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000295671782 372870709 /nfs/dbraw/zinc/87/07/09/372870709.db2.gz BIGJIIJJAJVNDG-INIZCTEOSA-N 1 1 285.391 3.211 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)Nc1cccc(C)c1C ZINC000172173654 372919260 /nfs/dbraw/zinc/91/92/60/372919260.db2.gz YYDUAUYMGALVOS-UHFFFAOYSA-N 1 1 260.381 3.140 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)Cc1nc2ccccc2s1 ZINC000439003939 372972682 /nfs/dbraw/zinc/97/26/82/372972682.db2.gz OPHJHCQRCZMZIH-UHFFFAOYSA-N 1 1 289.448 3.236 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)CC1(CC(=O)OC)CC1 ZINC000440711771 372993671 /nfs/dbraw/zinc/99/36/71/372993671.db2.gz JZAFKONEFGRVET-UHFFFAOYSA-N 1 1 287.403 3.060 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(CC#N)cc2)[C@@H]2CCC[C@H]2O1 ZINC000440948408 372995725 /nfs/dbraw/zinc/99/57/25/372995725.db2.gz MHUJYFSDKHPOHP-IAGOWNOFSA-N 1 1 284.403 3.285 20 30 CGEDMO CC[NH+](CC)[C@H](CN[C@@H]1CC[C@H](C#N)C1)Cc1ccccc1 ZINC000442716600 373070674 /nfs/dbraw/zinc/07/06/74/373070674.db2.gz OKLHRXINVALGDX-OTWHNJEPSA-N 1 1 299.462 3.221 20 30 CGEDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000443334771 373151105 /nfs/dbraw/zinc/15/11/05/373151105.db2.gz NBELWFRBWQONHR-KEYYUXOJSA-N 1 1 291.822 3.173 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](OC)C[C@H]2C)cc1 ZINC000443063159 373148716 /nfs/dbraw/zinc/14/87/16/373148716.db2.gz CSPOSGUAHRLHCW-PBHICJAKSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CC[C@@H]1[N@@H+](CCC(=O)OCC)CCCC1(C)C ZINC000444780075 373271244 /nfs/dbraw/zinc/27/12/44/373271244.db2.gz MIJDDLYMPOUVFS-ZDUSSCGKSA-N 1 1 253.386 3.006 20 30 CGEDMO CC(C)[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000444753546 373262138 /nfs/dbraw/zinc/26/21/38/373262138.db2.gz OLERSBPSKHTAMN-HOCLYGCPSA-N 1 1 299.418 3.253 20 30 CGEDMO CC(C)[C@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000446743577 373357637 /nfs/dbraw/zinc/35/76/37/373357637.db2.gz VIYBXNFCZBCCPO-HNNXBMFYSA-N 1 1 296.374 3.086 20 30 CGEDMO Cc1ccccc1C[C@H](C)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000447090690 373402563 /nfs/dbraw/zinc/40/25/63/373402563.db2.gz MDILAHCUISZGME-HNNXBMFYSA-N 1 1 281.403 3.268 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc2cc[nH]c2n1)c1ccc(C#N)cc1F ZINC000353622234 220197991 /nfs/dbraw/zinc/19/79/91/220197991.db2.gz MFFJWIUGPFQYCG-LLVKDONJSA-N 1 1 294.333 3.424 20 30 CGEDMO COc1cc(C[N@H+](C[C@H](C)C#N)C2CC2)ccc1C ZINC000447731178 373479280 /nfs/dbraw/zinc/47/92/80/373479280.db2.gz MHIQEVNFXKERAU-GFCCVEGCSA-N 1 1 258.365 3.128 20 30 CGEDMO COc1cc(C[N@@H+](C[C@H](C)C#N)C2CC2)ccc1C ZINC000447731178 373479288 /nfs/dbraw/zinc/47/92/88/373479288.db2.gz MHIQEVNFXKERAU-GFCCVEGCSA-N 1 1 258.365 3.128 20 30 CGEDMO C=CC[N@@H+](Cc1nc([C@H](C)OC)no1)CC1CCCCC1 ZINC000175225181 373434659 /nfs/dbraw/zinc/43/46/59/373434659.db2.gz AQPRHQZLGGCUPX-ZDUSSCGKSA-N 1 1 293.411 3.345 20 30 CGEDMO C=CC[N@H+](Cc1nc([C@H](C)OC)no1)CC1CCCCC1 ZINC000175225181 373434665 /nfs/dbraw/zinc/43/46/65/373434665.db2.gz AQPRHQZLGGCUPX-ZDUSSCGKSA-N 1 1 293.411 3.345 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000448821316 373643643 /nfs/dbraw/zinc/64/36/43/373643643.db2.gz FMDGTPJNFIFPGS-QLFBSQMISA-N 1 1 278.440 3.062 20 30 CGEDMO C=CCCCC[C@@H](C)[NH2+]C[C@H]1CCCN(CC)C1 ZINC000449104365 373661782 /nfs/dbraw/zinc/66/17/82/373661782.db2.gz FHBJOPLRCUCTIM-HZPDHXFCSA-N 1 1 252.446 3.443 20 30 CGEDMO C[C@@H](C[NH+]1CCC(F)(C#N)CC1)c1cc(F)cc(F)c1 ZINC000449314750 373679799 /nfs/dbraw/zinc/67/97/99/373679799.db2.gz FAJCYEIEGCTROT-NSHDSACASA-N 1 1 282.309 3.396 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)[C@@H](CO)c2ccccc2)cc1 ZINC000449453998 373738236 /nfs/dbraw/zinc/73/82/36/373738236.db2.gz NZHAOLHVDYYATH-IBGZPJMESA-N 1 1 297.398 3.417 20 30 CGEDMO C=CCC[C@H]([NH2+][C@H](C)C1CCCC1)C(=O)OCC ZINC000449656885 373838600 /nfs/dbraw/zinc/83/86/00/373838600.db2.gz MUGFMLYIHBBLEE-OCCSQVGLSA-N 1 1 253.386 3.053 20 30 CGEDMO NC(=[NH+]OCc1nc(C(F)(F)F)cs1)C1CCCC1 ZINC000179237157 373849107 /nfs/dbraw/zinc/84/91/07/373849107.db2.gz QWDGWCFYSXBTED-UHFFFAOYSA-N 1 1 293.314 3.141 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCC=C(c2ccccn2)C1 ZINC000574463217 335021759 /nfs/dbraw/zinc/02/17/59/335021759.db2.gz PECYYQONSGDYGY-UHFFFAOYSA-N 1 1 255.365 3.111 20 30 CGEDMO CC[N@@H+](C[C@H](C)C#N)C[C@@H](C)c1ccc(OC)cc1 ZINC000179772795 373915138 /nfs/dbraw/zinc/91/51/38/373915138.db2.gz RBAYSMMNJSONQP-ZIAGYGMSSA-N 1 1 260.381 3.280 20 30 CGEDMO Cc1ccc(N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)nc1C#N ZINC000302649985 373915376 /nfs/dbraw/zinc/91/53/76/373915376.db2.gz MWKJRNBKTYJEOB-VNHYZAJKSA-N 1 1 286.423 3.040 20 30 CGEDMO COc1ccc(C[N@H+](CC2(C#N)CCC2)C2CC2)cc1 ZINC000450212263 374000428 /nfs/dbraw/zinc/00/04/28/374000428.db2.gz CYCLTMFXTQXAGV-UHFFFAOYSA-N 1 1 270.376 3.353 20 30 CGEDMO COc1ccc(C[N@@H+](CC2(C#N)CCC2)C2CC2)cc1 ZINC000450212263 374000434 /nfs/dbraw/zinc/00/04/34/374000434.db2.gz CYCLTMFXTQXAGV-UHFFFAOYSA-N 1 1 270.376 3.353 20 30 CGEDMO CO[C@@H](Cc1ccccc1)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000450227233 374008670 /nfs/dbraw/zinc/00/86/70/374008670.db2.gz OWCRYSBMTCACQC-IBGZPJMESA-N 1 1 294.398 3.248 20 30 CGEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc(C#N)cc1F ZINC000303505098 374021093 /nfs/dbraw/zinc/02/10/93/374021093.db2.gz ZKTBOKQQSIHGCP-MJBXVCDLSA-N 1 1 289.398 3.476 20 30 CGEDMO N#CC1(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)CCC1 ZINC000450248048 374021241 /nfs/dbraw/zinc/02/12/41/374021241.db2.gz VTYANKOHCOTFJY-HNNXBMFYSA-N 1 1 298.386 3.289 20 30 CGEDMO N#CC1(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)CCC1 ZINC000450248048 374021246 /nfs/dbraw/zinc/02/12/46/374021246.db2.gz VTYANKOHCOTFJY-HNNXBMFYSA-N 1 1 298.386 3.289 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000181106943 374080859 /nfs/dbraw/zinc/08/08/59/374080859.db2.gz YJGXXNZVJQYKDX-PMPSAXMXSA-N 1 1 295.471 3.103 20 30 CGEDMO COCC[N@H+](CC1(C#N)CCC1)[C@H](C)c1ccccc1 ZINC000450311542 374053314 /nfs/dbraw/zinc/05/33/14/374053314.db2.gz DJLFDEHUTXSZNS-OAHLLOKOSA-N 1 1 272.392 3.390 20 30 CGEDMO COCC[N@@H+](CC1(C#N)CCC1)[C@H](C)c1ccccc1 ZINC000450311542 374053319 /nfs/dbraw/zinc/05/33/19/374053319.db2.gz DJLFDEHUTXSZNS-OAHLLOKOSA-N 1 1 272.392 3.390 20 30 CGEDMO CC(C)[N@H+](Cc1ccccc1C(C)(C)C#N)C[C@@H](C)O ZINC000305116602 374070417 /nfs/dbraw/zinc/07/04/17/374070417.db2.gz FUCXLZBUVZEIGU-CQSZACIVSA-N 1 1 274.408 3.079 20 30 CGEDMO CC(C)[C@H](CO)[N@@H+](Cc1ccccc1)CC1(C#N)CCC1 ZINC000450468853 374151595 /nfs/dbraw/zinc/15/15/95/374151595.db2.gz NQZWFRGPGODUKH-KRWDZBQOSA-N 1 1 286.419 3.199 20 30 CGEDMO C=C(C)C[NH2+][C@H](CO)c1c(Cl)cccc1Cl ZINC000309413688 374183618 /nfs/dbraw/zinc/18/36/18/374183618.db2.gz YKGCLUAAHGZICW-LLVKDONJSA-N 1 1 260.164 3.193 20 30 CGEDMO C[C@H](NCC1(C#N)CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000450693136 374172387 /nfs/dbraw/zinc/17/23/87/374172387.db2.gz CXNSHFPSEBJQMQ-WMZOPIPTSA-N 1 1 297.446 3.180 20 30 CGEDMO C[N@@H+](CCNC(=O)c1cc(C2CC2)on1)C1CCCCC1 ZINC000328920131 374392851 /nfs/dbraw/zinc/39/28/51/374392851.db2.gz STSBAAVWEFFQIR-UHFFFAOYSA-N 1 1 291.395 3.121 20 30 CGEDMO C[C@H](C#N)C[NH2+]Cc1cccc(OC2CCCC2)c1 ZINC000183812974 374460046 /nfs/dbraw/zinc/46/00/46/374460046.db2.gz WJHBJXLVWSYSMW-CYBMUJFWSA-N 1 1 258.365 3.257 20 30 CGEDMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000332105403 374553219 /nfs/dbraw/zinc/55/32/19/374553219.db2.gz HQELWPCVDDHPBB-DOMZBBRYSA-N 1 1 296.374 3.371 20 30 CGEDMO N#Cc1cccc(NC(=O)C[N@H+]2CCCC3(CCCC3)C2)c1 ZINC000333743813 374617457 /nfs/dbraw/zinc/61/74/57/374617457.db2.gz RTSCIRRMWFFUDY-UHFFFAOYSA-N 1 1 297.402 3.153 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCCC3(CCOCC3)C2)c1 ZINC000334427127 374741731 /nfs/dbraw/zinc/74/17/31/374741731.db2.gz WRPIUOOQYPLIAI-UHFFFAOYSA-N 1 1 276.405 3.012 20 30 CGEDMO CN(CC[N@@H+](C)C1CC1)Cc1ccccc1C(C)(C)C#N ZINC000186784513 374918347 /nfs/dbraw/zinc/91/83/47/374918347.db2.gz HIBTZIRBFRNVRM-UHFFFAOYSA-N 1 1 285.435 3.014 20 30 CGEDMO CN(CC[N@H+](C)Cc1ccccc1C(C)(C)C#N)C1CC1 ZINC000186784513 374918353 /nfs/dbraw/zinc/91/83/53/374918353.db2.gz HIBTZIRBFRNVRM-UHFFFAOYSA-N 1 1 285.435 3.014 20 30 CGEDMO CN(CC[N@@H+](C)Cc1ccccc1C(C)(C)C#N)C1CC1 ZINC000186784513 374918363 /nfs/dbraw/zinc/91/83/63/374918363.db2.gz HIBTZIRBFRNVRM-UHFFFAOYSA-N 1 1 285.435 3.014 20 30 CGEDMO C=CCC[N@@H+](C)CCOc1ccc(F)cc1Cl ZINC000467287802 374973839 /nfs/dbraw/zinc/97/38/39/374973839.db2.gz JVFCIWXIIWOZBO-UHFFFAOYSA-N 1 1 257.736 3.366 20 30 CGEDMO C=CCC[N@@H+](C)CCOc1ccccc1Br ZINC000467303312 374974084 /nfs/dbraw/zinc/97/40/84/374974084.db2.gz WZMBZTMNYMVOSI-UHFFFAOYSA-N 1 1 284.197 3.336 20 30 CGEDMO C[C@H]1CCc2ccccc2[C@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000334686449 374974946 /nfs/dbraw/zinc/97/49/46/374974946.db2.gz OZOLQSSDSNTLLX-ZBEGNZNMSA-N 1 1 283.400 3.428 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000470772090 374999485 /nfs/dbraw/zinc/99/94/85/374999485.db2.gz JDRKAQGQZRCNQO-MRXNPFEDSA-N 1 1 295.810 3.386 20 30 CGEDMO CO[C@@]1(C)CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000470920111 375001153 /nfs/dbraw/zinc/00/11/53/375001153.db2.gz OYWRHHPGHNOJIT-INIZCTEOSA-N 1 1 277.795 3.192 20 30 CGEDMO CO[C@@]1(C)CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000470920111 375001159 /nfs/dbraw/zinc/00/11/59/375001159.db2.gz OYWRHHPGHNOJIT-INIZCTEOSA-N 1 1 277.795 3.192 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]1Cc1ccc(C)cc1 ZINC000472737769 375032457 /nfs/dbraw/zinc/03/24/57/375032457.db2.gz RCLKGFSYWOSSCL-QZTJIDSGSA-N 1 1 273.420 3.329 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@@]1(C)Cc1ccccc1 ZINC000467235124 374972619 /nfs/dbraw/zinc/97/26/19/374972619.db2.gz IOGXKOSVUPKWJA-ROUUACIJSA-N 1 1 273.420 3.411 20 30 CGEDMO CCC[C@@H]1C[N@@H+]([C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000187695848 375075321 /nfs/dbraw/zinc/07/53/21/375075321.db2.gz QLACKGYLCYVURL-XJKSGUPXSA-N 1 1 258.365 3.120 20 30 CGEDMO CCC[C@@H]1C[N@H+]([C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000187695848 375075323 /nfs/dbraw/zinc/07/53/23/375075323.db2.gz QLACKGYLCYVURL-XJKSGUPXSA-N 1 1 258.365 3.120 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000187700898 375076893 /nfs/dbraw/zinc/07/68/93/375076893.db2.gz NTXRIONJEIZIGP-YJBOKZPZSA-N 1 1 285.435 3.425 20 30 CGEDMO CC[N@@H+](CC#Cc1ccccc1)Cc1ccc2c(c1)OCO2 ZINC000483516257 375182408 /nfs/dbraw/zinc/18/24/08/375182408.db2.gz PPPMWFDXLGHAJO-UHFFFAOYSA-N 1 1 293.366 3.289 20 30 CGEDMO Cc1cccc(OCC[N@H+](C)CC#Cc2ccccc2)c1 ZINC000483520287 375183424 /nfs/dbraw/zinc/18/34/24/375183424.db2.gz RXGPATCKFIBSNB-UHFFFAOYSA-N 1 1 279.383 3.357 20 30 CGEDMO C=C(C)[C@H](N[C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(F)c(F)c1 ZINC000480693054 375160917 /nfs/dbraw/zinc/16/09/17/375160917.db2.gz BMICZBUTZSYSHH-XZJROXQQSA-N 1 1 280.362 3.122 20 30 CGEDMO C=C(C)[C@H](N[C@@H]1C[N@H+](C)C[C@@H]1C)c1ccc(F)c(F)c1 ZINC000480693054 375160920 /nfs/dbraw/zinc/16/09/20/375160920.db2.gz BMICZBUTZSYSHH-XZJROXQQSA-N 1 1 280.362 3.122 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccc(OCC(C)C)cc1 ZINC000483403210 375180031 /nfs/dbraw/zinc/18/00/31/375180031.db2.gz HWYUYXNZODQDTJ-UHFFFAOYSA-N 1 1 277.408 3.356 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000483410758 375180083 /nfs/dbraw/zinc/18/00/83/375180083.db2.gz TUMZEFPADFRLNH-SJORKVTESA-N 1 1 277.383 3.116 20 30 CGEDMO CC[C@](C)(O)C[N@@H+](Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000188580406 375237363 /nfs/dbraw/zinc/23/73/63/375237363.db2.gz OOYYWMPHCHHLOA-SFHVURJKSA-N 1 1 298.386 3.314 20 30 CGEDMO C=C(C)C[N@@H+](C)CCOc1ccc(Cl)c(F)c1 ZINC000484073129 375187202 /nfs/dbraw/zinc/18/72/02/375187202.db2.gz UWFPFDNTBMCOMT-UHFFFAOYSA-N 1 1 257.736 3.366 20 30 CGEDMO COCC[N@@H+](CC#Cc1ccc(F)cc1)[C@@H]1CCC[C@H]1C ZINC000487946700 375287916 /nfs/dbraw/zinc/28/79/16/375287916.db2.gz BXPRTCQUXZGWBY-CRAIPNDOSA-N 1 1 289.394 3.314 20 30 CGEDMO COCC[N@@H+](Cc1cccc(C#N)c1F)[C@@H]1CCC[C@@H]1C ZINC000487981052 375290084 /nfs/dbraw/zinc/29/00/84/375290084.db2.gz NAAMWSXDBIKUIV-XJKSGUPXSA-N 1 1 290.382 3.334 20 30 CGEDMO COCC[N@@H+](Cc1ccc(F)cc1C#N)[C@@H]1CCC[C@H]1C ZINC000487999177 375294707 /nfs/dbraw/zinc/29/47/07/375294707.db2.gz LEMRZAZPVHFCRH-CXAGYDPISA-N 1 1 290.382 3.334 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000489463227 375318175 /nfs/dbraw/zinc/31/81/75/375318175.db2.gz ZMORNMGJHKBZHA-HNNXBMFYSA-N 1 1 256.349 3.107 20 30 CGEDMO N#Cc1cc(F)ccc1C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000189242903 375346320 /nfs/dbraw/zinc/34/63/20/375346320.db2.gz GHECJHGRFXXCAZ-QGZVFWFLSA-N 1 1 288.366 3.088 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000335751708 375399556 /nfs/dbraw/zinc/39/95/56/375399556.db2.gz MHOLAXOWQMCGRS-HXUWFJFHSA-N 1 1 289.378 3.170 20 30 CGEDMO COC[C@@H](C)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000189667849 375432118 /nfs/dbraw/zinc/43/21/18/375432118.db2.gz STPVCJZBMUZVRK-AWEZNQCLSA-N 1 1 260.381 3.051 20 30 CGEDMO C[C@H]1C[N@H+](Cc2cc(C#N)ccc2F)CCC1(F)F ZINC000335791655 375434147 /nfs/dbraw/zinc/43/41/47/375434147.db2.gz MSLXMIOFXUGXDO-JTQLQIEISA-N 1 1 268.282 3.174 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CCC1(F)F ZINC000335791655 375434154 /nfs/dbraw/zinc/43/41/54/375434154.db2.gz MSLXMIOFXUGXDO-JTQLQIEISA-N 1 1 268.282 3.174 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000335843056 375475885 /nfs/dbraw/zinc/47/58/85/375475885.db2.gz BRUGLGXFULTBLV-KRWDZBQOSA-N 1 1 288.366 3.090 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000335843056 375475892 /nfs/dbraw/zinc/47/58/92/375475892.db2.gz BRUGLGXFULTBLV-KRWDZBQOSA-N 1 1 288.366 3.090 20 30 CGEDMO N#Cc1csc(C[NH2+][C@H]2CCc3cc(Cl)ccc32)n1 ZINC000335870411 375499913 /nfs/dbraw/zinc/49/99/13/375499913.db2.gz LOPIZEQCBZBJTK-ZDUSSCGKSA-N 1 1 289.791 3.445 20 30 CGEDMO C=C[C@H](C)[NH2+][C@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000119311617 542005562 /nfs/dbraw/zinc/00/55/62/542005562.db2.gz WLGYXDONLSAKFV-WDEREUQCSA-N 1 1 290.798 3.454 20 30 CGEDMO CCC[N@H+](Cc1cccc(C#N)c1)[C@H](CC)C(=O)OCC ZINC000191670913 375652105 /nfs/dbraw/zinc/65/21/05/375652105.db2.gz NWCLRXIFNIHURP-MRXNPFEDSA-N 1 1 288.391 3.112 20 30 CGEDMO CCC[N@@H+](Cc1cccc(C#N)c1)[C@H](CC)C(=O)OCC ZINC000191670913 375652114 /nfs/dbraw/zinc/65/21/14/375652114.db2.gz NWCLRXIFNIHURP-MRXNPFEDSA-N 1 1 288.391 3.112 20 30 CGEDMO C=C[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000499221579 375630688 /nfs/dbraw/zinc/63/06/88/375630688.db2.gz ZWWOMEZGABWLAD-DDBAPUKQSA-N 1 1 270.420 3.346 20 30 CGEDMO C=C(C)C[N@H+](CCC)[C@H](C)C(=O)Nc1ccccc1 ZINC000506639037 375664942 /nfs/dbraw/zinc/66/49/42/375664942.db2.gz GVLUATSOLZTMDZ-CQSZACIVSA-N 1 1 260.381 3.302 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccncc2)cc1F ZINC000192134103 375701284 /nfs/dbraw/zinc/70/12/84/375701284.db2.gz QSLABZLEKDAKSQ-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccncc2)cc1F ZINC000192134103 375701290 /nfs/dbraw/zinc/70/12/90/375701290.db2.gz QSLABZLEKDAKSQ-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO CCO[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000126659540 542041003 /nfs/dbraw/zinc/04/10/03/542041003.db2.gz WFBZPSMQLQCSKG-INIZCTEOSA-N 1 1 277.795 3.192 20 30 CGEDMO N#Cc1ccc2c(c1)[C@@H]([NH2+]C1CC(N3CCCCC3)C1)CC2 ZINC000336373970 375783609 /nfs/dbraw/zinc/78/36/09/375783609.db2.gz ZSZBEHQNJWNCEB-TVPLGVNVSA-N 1 1 295.430 3.152 20 30 CGEDMO Cn1cccc1[C@H]1CCCC[N@@H+]1CC1(C#N)CCC1 ZINC000336199542 375758617 /nfs/dbraw/zinc/75/86/17/375758617.db2.gz ILGMVCZNKNNXLA-OAHLLOKOSA-N 1 1 257.381 3.246 20 30 CGEDMO Cn1cccc1[C@H]1CCCC[N@H+]1CC1(C#N)CCC1 ZINC000336199542 375758622 /nfs/dbraw/zinc/75/86/22/375758622.db2.gz ILGMVCZNKNNXLA-OAHLLOKOSA-N 1 1 257.381 3.246 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@]1(CCC)C(=O)OCC ZINC000510781510 375788738 /nfs/dbraw/zinc/78/87/38/375788738.db2.gz PEJBNNPOVPDQFL-HNNXBMFYSA-N 1 1 253.386 3.150 20 30 CGEDMO C=CC[NH+]1CCC(NCc2sccc2Cl)CC1 ZINC000193092775 375825277 /nfs/dbraw/zinc/82/52/77/375825277.db2.gz COEKMGNYTWTTKF-UHFFFAOYSA-N 1 1 270.829 3.142 20 30 CGEDMO C=CC[C@H](CO)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000193284659 375852979 /nfs/dbraw/zinc/85/29/79/375852979.db2.gz JMGNLBJIILBCQY-RKDXNWHRSA-N 1 1 290.190 3.287 20 30 CGEDMO C[C@H]1CC[N@@H+](C[C@H](O)CC2(C#N)CC2)CC12CCCCC2 ZINC000528447626 375901697 /nfs/dbraw/zinc/90/16/97/375901697.db2.gz BAAFCIILEAVART-JKSUJKDBSA-N 1 1 290.451 3.333 20 30 CGEDMO CCc1ccc([C@@H]2CC[N@@H+](C[C@@H](O)CC3(C#N)CC3)C2)cc1 ZINC000528513042 375904008 /nfs/dbraw/zinc/90/40/08/375904008.db2.gz QOQFZSZJXRBZOJ-MSOLQXFVSA-N 1 1 298.430 3.093 20 30 CGEDMO N#CCCC[N@@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000528796239 375910196 /nfs/dbraw/zinc/91/01/96/375910196.db2.gz ZHOGKCDTTWFSHC-UHFFFAOYSA-N 1 1 268.282 3.367 20 30 CGEDMO N#CCCC[N@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000528796239 375910203 /nfs/dbraw/zinc/91/02/03/375910203.db2.gz ZHOGKCDTTWFSHC-UHFFFAOYSA-N 1 1 268.282 3.367 20 30 CGEDMO OCC[N@@H+](CC#Cc1cccc(Cl)c1)C1CCCCC1 ZINC000535287145 376032422 /nfs/dbraw/zinc/03/24/22/376032422.db2.gz GRZNOOAHYVCCJN-UHFFFAOYSA-N 1 1 291.822 3.319 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCCC12CCCCC2 ZINC000535383062 376036634 /nfs/dbraw/zinc/03/66/34/376036634.db2.gz KFSCGFNEXRDWNR-UHFFFAOYSA-N 1 1 278.440 3.210 20 30 CGEDMO CC[C@H]1CCC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337143011 376099214 /nfs/dbraw/zinc/09/92/14/376099214.db2.gz XXEDTEHHDJCCJH-HNNXBMFYSA-N 1 1 264.413 3.209 20 30 CGEDMO C=CCCC(=O)N1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000536596909 376101083 /nfs/dbraw/zinc/10/10/83/376101083.db2.gz REZXTPUBRUMIIK-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000536682658 376121554 /nfs/dbraw/zinc/12/15/54/376121554.db2.gz AQILYSJALLARSP-FRFSOERESA-N 1 1 294.402 3.359 20 30 CGEDMO CC(C)[N@H+](C)CC1CCN(Cc2ccc(C#N)s2)CC1 ZINC000536652406 376109328 /nfs/dbraw/zinc/10/93/28/376109328.db2.gz JGPLTRMLBCZDHD-UHFFFAOYSA-N 1 1 291.464 3.172 20 30 CGEDMO CC(C)[N@@H+](C)CC1CCN(Cc2ccc(C#N)s2)CC1 ZINC000536652406 376109336 /nfs/dbraw/zinc/10/93/36/376109336.db2.gz JGPLTRMLBCZDHD-UHFFFAOYSA-N 1 1 291.464 3.172 20 30 CGEDMO C=CC[C@@H](CC)NC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000337080823 376074133 /nfs/dbraw/zinc/07/41/33/376074133.db2.gz XQFUEGJZJQXAGJ-QWHCGFSZSA-N 1 1 289.423 3.109 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1ccccc1C(C)C)C1CC1 ZINC000536747952 376130474 /nfs/dbraw/zinc/13/04/74/376130474.db2.gz UPMSMORYDKLZHT-UHFFFAOYSA-N 1 1 272.392 3.399 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1ccccc1C(C)C)C1CC1 ZINC000536747952 376130479 /nfs/dbraw/zinc/13/04/79/376130479.db2.gz UPMSMORYDKLZHT-UHFFFAOYSA-N 1 1 272.392 3.399 20 30 CGEDMO COc1cccc(C[C@H]2CCC[N@H+]2CC2(C#N)CC2)c1 ZINC000537210592 376153779 /nfs/dbraw/zinc/15/37/79/376153779.db2.gz LKZAADBKVIFWDF-OAHLLOKOSA-N 1 1 270.376 3.006 20 30 CGEDMO C=C(CC)CN1C[C@@H](C)[N@@H+](CC(=C)CC)C[C@@H]1C ZINC000538014046 376219689 /nfs/dbraw/zinc/21/96/89/376219689.db2.gz ODVBSCKJUUPBQJ-IYBDPMFKSA-N 1 1 250.430 3.313 20 30 CGEDMO C=C(CC)CN1C[C@H](C)[N@H+](CC(=C)CC)C[C@H]1C ZINC000538014046 376219692 /nfs/dbraw/zinc/21/96/92/376219692.db2.gz ODVBSCKJUUPBQJ-IYBDPMFKSA-N 1 1 250.430 3.313 20 30 CGEDMO C=C(CC)CN1C[C@H](C)[N@@H+](CC(=C)CC)C[C@H]1C ZINC000538014046 376219696 /nfs/dbraw/zinc/21/96/96/376219696.db2.gz ODVBSCKJUUPBQJ-IYBDPMFKSA-N 1 1 250.430 3.313 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000538285684 376230319 /nfs/dbraw/zinc/23/03/19/376230319.db2.gz ILHONMRKOFYVIL-OWCLPIDISA-N 1 1 295.471 3.151 20 30 CGEDMO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC000538957575 376280392 /nfs/dbraw/zinc/28/03/92/376280392.db2.gz JRMXXXYHUXTGKE-TZMCWYRMSA-N 1 1 286.375 3.108 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCO[C@H](CCC)C2)cc1 ZINC000538727733 376263866 /nfs/dbraw/zinc/26/38/66/376263866.db2.gz SKNPHRMYVWWQQA-QGZVFWFLSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCO[C@H](CCC)C2)cc1 ZINC000538727733 376263868 /nfs/dbraw/zinc/26/38/68/376263868.db2.gz SKNPHRMYVWWQQA-QGZVFWFLSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000539388754 376306879 /nfs/dbraw/zinc/30/68/79/376306879.db2.gz YSTHSSNXEWDJMB-JYJNAYRXSA-N 1 1 295.471 3.151 20 30 CGEDMO COc1ccc([C@@H](C)C[N@@H+](C[C@@H](C)C#N)C2CC2)cc1 ZINC000539408520 376309759 /nfs/dbraw/zinc/30/97/59/376309759.db2.gz WAUSUKVNOCBOLS-KBPBESRZSA-N 1 1 272.392 3.423 20 30 CGEDMO C=CCC[N@@H+]1CCN(Cc2ccccc2OCC)C[C@H]1C ZINC000338541570 376415707 /nfs/dbraw/zinc/41/57/07/376415707.db2.gz HLIZBGXBWDHIEV-MRXNPFEDSA-N 1 1 288.435 3.168 20 30 CGEDMO CC[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000226983241 376376835 /nfs/dbraw/zinc/37/68/35/376376835.db2.gz HBCSFJSHHDPSKY-RHSMWYFYSA-N 1 1 272.392 3.104 20 30 CGEDMO Cc1cccc(NC2CC[NH+](CC3(C#N)CC3)CC2)c1 ZINC000540552830 376380756 /nfs/dbraw/zinc/38/07/56/376380756.db2.gz ZMMNYFXZBUPHLM-UHFFFAOYSA-N 1 1 269.392 3.175 20 30 CGEDMO CC1(C)CC[N@@H+](Cc2cccc(C#N)c2F)CCS1 ZINC000228088716 376429134 /nfs/dbraw/zinc/42/91/34/376429134.db2.gz OVOIZERMJQQXOR-UHFFFAOYSA-N 1 1 278.396 3.415 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCO[C@@H](C3CCCCC3)C2)c1 ZINC000542649091 376563143 /nfs/dbraw/zinc/56/31/43/376563143.db2.gz SWFLNDWFFWSLPV-GOSISDBHSA-N 1 1 284.403 3.339 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCO[C@@H](C3CCCCC3)C2)c1 ZINC000542649091 376563153 /nfs/dbraw/zinc/56/31/53/376563153.db2.gz SWFLNDWFFWSLPV-GOSISDBHSA-N 1 1 284.403 3.339 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@H](c2ccc(C)cc2)C1 ZINC000542318300 376533284 /nfs/dbraw/zinc/53/32/84/376533284.db2.gz WRUXWPGBFOJMCB-IRXDYDNUSA-N 1 1 259.393 3.111 20 30 CGEDMO CC[N@H+](C/C=C/c1ccc(F)cc1F)C[C@H](C)C#N ZINC000542705098 376572103 /nfs/dbraw/zinc/57/21/03/376572103.db2.gz OGETXQMCNGVTTR-ZYOFXKKJSA-N 1 1 264.319 3.460 20 30 CGEDMO CC[N@@H+](C/C=C/c1ccc(F)cc1F)C[C@H](C)C#N ZINC000542705098 376572114 /nfs/dbraw/zinc/57/21/14/376572114.db2.gz OGETXQMCNGVTTR-ZYOFXKKJSA-N 1 1 264.319 3.460 20 30 CGEDMO CN1CC[N@@H+](Cc2ccc(CC#N)cc2)C2(CCCCC2)C1 ZINC000543207985 376619381 /nfs/dbraw/zinc/61/93/81/376619381.db2.gz YHOTZTZIXAKRCY-UHFFFAOYSA-N 1 1 297.446 3.203 20 30 CGEDMO C[N@@H+]1CCN(Cc2ccc(CC#N)cc2)C2(CCCCC2)C1 ZINC000543207985 376619385 /nfs/dbraw/zinc/61/93/85/376619385.db2.gz YHOTZTZIXAKRCY-UHFFFAOYSA-N 1 1 297.446 3.203 20 30 CGEDMO C[N@H+]1CCN(Cc2ccc(CC#N)cc2)C2(CCCCC2)C1 ZINC000543207985 376619390 /nfs/dbraw/zinc/61/93/90/376619390.db2.gz YHOTZTZIXAKRCY-UHFFFAOYSA-N 1 1 297.446 3.203 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)ccc1C#N ZINC000234999646 376626231 /nfs/dbraw/zinc/62/62/31/376626231.db2.gz VXQDVPPNNLYEPL-ZBFHGGJFSA-N 1 1 270.376 3.331 20 30 CGEDMO CC1(C#N)CC[NH+](Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000543739034 376671188 /nfs/dbraw/zinc/67/11/88/376671188.db2.gz ABJVKJBIVDZZNB-UHFFFAOYSA-N 1 1 292.386 3.269 20 30 CGEDMO C=C(C)C[N@H+](CCC1(OC)CCC1)Cc1ccc(CO)o1 ZINC000339193014 376732680 /nfs/dbraw/zinc/73/26/80/376732680.db2.gz NVGGXGVZURWFHC-UHFFFAOYSA-N 1 1 293.407 3.109 20 30 CGEDMO CCOc1ccccc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000236939756 376717621 /nfs/dbraw/zinc/71/76/21/376717621.db2.gz GSKLGJIKOJLGIE-UHFFFAOYSA-N 1 1 284.334 3.386 20 30 CGEDMO CC1(C)C[N@@H+]([C@@H]2CC[C@H](C#N)C2)C[C@@](C)(C(F)(F)F)O1 ZINC000339453306 376759122 /nfs/dbraw/zinc/75/91/22/376759122.db2.gz FBPWTOHJVARYJA-LOWVWBTDSA-N 1 1 290.329 3.110 20 30 CGEDMO CC1(C)C[N@H+]([C@@H]2CC[C@H](C#N)C2)C[C@@](C)(C(F)(F)F)O1 ZINC000339453306 376759133 /nfs/dbraw/zinc/75/91/33/376759133.db2.gz FBPWTOHJVARYJA-LOWVWBTDSA-N 1 1 290.329 3.110 20 30 CGEDMO CC[C@@H](c1ccccc1OC)[N@@H+](C)CCOCCC#N ZINC000339206907 376733506 /nfs/dbraw/zinc/73/35/06/376733506.db2.gz WVLVCEJETOCOBH-HNNXBMFYSA-N 1 1 276.380 3.008 20 30 CGEDMO C=CCOCC[N@H+](C)[C@@H](CC)c1cccc(OC)c1 ZINC000339197454 376734035 /nfs/dbraw/zinc/73/40/35/376734035.db2.gz DCIPYZBRVOVWPJ-INIZCTEOSA-N 1 1 263.381 3.281 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@H]1CCCC[C@H]1O ZINC000245558617 376854580 /nfs/dbraw/zinc/85/45/80/376854580.db2.gz VSDVEPABKJFIOH-KBRIMQKVSA-N 1 1 272.392 3.102 20 30 CGEDMO CC(C)[N@H+](CCC#N)Cc1ccc2c(c1)OCCCCO2 ZINC000556140079 376861948 /nfs/dbraw/zinc/86/19/48/376861948.db2.gz XKCLVKYAZZHDBI-UHFFFAOYSA-N 1 1 288.391 3.362 20 30 CGEDMO CC(C)[N@@H+](CCC#N)Cc1ccc2c(c1)OCCCCO2 ZINC000556140079 376861951 /nfs/dbraw/zinc/86/19/51/376861951.db2.gz XKCLVKYAZZHDBI-UHFFFAOYSA-N 1 1 288.391 3.362 20 30 CGEDMO C[C@H](N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(C#N)c1 ZINC000245954561 376942453 /nfs/dbraw/zinc/94/24/53/376942453.db2.gz XCIRODXSAPEBMF-RRQGHBQHSA-N 1 1 271.408 3.082 20 30 CGEDMO CC[C@@]1(C)CC[N@@H+](Cc2ccc(OC)c(C#N)c2)C1 ZINC000340197101 376946206 /nfs/dbraw/zinc/94/62/06/376946206.db2.gz ZQUUVAZZMVHRMN-INIZCTEOSA-N 1 1 258.365 3.189 20 30 CGEDMO C[C@@H]1C[C@@H](N[C@H](CCC#N)c2ccccc2)C[N@@H+]1C1CC1 ZINC000246348206 377013040 /nfs/dbraw/zinc/01/30/40/377013040.db2.gz HKYXBIGXNVAWJD-QGPMSJSTSA-N 1 1 283.419 3.246 20 30 CGEDMO C[C@@H]1C[C@@H](N[C@H](CCC#N)c2ccccc2)C[N@H+]1C1CC1 ZINC000246348206 377013044 /nfs/dbraw/zinc/01/30/44/377013044.db2.gz HKYXBIGXNVAWJD-QGPMSJSTSA-N 1 1 283.419 3.246 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000246185641 376982417 /nfs/dbraw/zinc/98/24/17/376982417.db2.gz USRDYKMMJBJFIB-CVEARBPZSA-N 1 1 272.417 3.418 20 30 CGEDMO CC[N@H+](Cc1snnc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000559637056 377093753 /nfs/dbraw/zinc/09/37/53/377093753.db2.gz HJEPQMZBCFTHTF-GFCCVEGCSA-N 1 1 286.404 3.301 20 30 CGEDMO CC[N@@H+](Cc1snnc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000559637056 377093758 /nfs/dbraw/zinc/09/37/58/377093758.db2.gz HJEPQMZBCFTHTF-GFCCVEGCSA-N 1 1 286.404 3.301 20 30 CGEDMO CCCO[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2F)CC1 ZINC000340918049 377319720 /nfs/dbraw/zinc/31/97/20/377319720.db2.gz LDDBYKGMWPJGIV-INIZCTEOSA-N 1 1 290.382 3.478 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000562384415 377305458 /nfs/dbraw/zinc/30/54/58/377305458.db2.gz NLAGZBSWNQTOBC-UHFFFAOYSA-N 1 1 286.709 3.335 20 30 CGEDMO COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1OC ZINC000341069819 377384354 /nfs/dbraw/zinc/38/43/54/377384354.db2.gz PJGVHUHKUCGRAG-CYBMUJFWSA-N 1 1 296.370 3.426 20 30 CGEDMO CCc1ccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)o1 ZINC000341213452 377446145 /nfs/dbraw/zinc/44/61/45/377446145.db2.gz MSJGUZPGFGETLF-UHFFFAOYSA-N 1 1 266.344 3.493 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@@H]1CCCC[C@@H]1O ZINC000566834959 377501200 /nfs/dbraw/zinc/50/12/00/377501200.db2.gz UUUTYUZQRUZRAC-RDJZCZTQSA-N 1 1 277.383 3.365 20 30 CGEDMO Cc1oc2ccccc2c1C[NH2+]C[C@H](C#N)CCC#N ZINC000565867261 377490608 /nfs/dbraw/zinc/49/06/08/377490608.db2.gz YARVDORHRFSPKS-ZDUSSCGKSA-N 1 1 267.332 3.274 20 30 CGEDMO N#Cc1cccc([C@@H]2CN(c3cc[nH+]cc3Cl)CCO2)c1 ZINC000341374381 377536893 /nfs/dbraw/zinc/53/68/93/377536893.db2.gz NRCGQTTVPSXFFB-INIZCTEOSA-N 1 1 299.761 3.185 20 30 CGEDMO CCOC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000313477158 249092033 /nfs/dbraw/zinc/09/20/33/249092033.db2.gz AKRCWJIDBVIBJL-OAHLLOKOSA-N 1 1 276.355 3.088 20 30 CGEDMO CCn1cc(C[N@@H+](C)CCC2(C#N)CCCCC2)cn1 ZINC000572098834 377546261 /nfs/dbraw/zinc/54/62/61/377546261.db2.gz WMUDOFBBLMSJGL-UHFFFAOYSA-N 1 1 274.412 3.199 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)C[C@H]1CCCC[C@@H]1O ZINC000572291399 377547894 /nfs/dbraw/zinc/54/78/94/377547894.db2.gz LWMWXGSUYAUHBG-HIFRSBDPSA-N 1 1 265.422 3.287 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc2nc[nH]c2c1)c1ccc(C#N)cc1 ZINC000518779217 249286691 /nfs/dbraw/zinc/28/66/91/249286691.db2.gz FYAOTQMEMIHOSK-LBPRGKRZSA-N 1 1 276.343 3.285 20 30 CGEDMO Cc1nsc(N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1C#N ZINC000341836943 377620798 /nfs/dbraw/zinc/62/07/98/377620798.db2.gz AADJPQGSFYUMKF-TUAOUCFPSA-N 1 1 292.452 3.102 20 30 CGEDMO C[C@@H]([NH2+]Cc1cnc2n1CCCC2)c1ccc(C#N)cc1F ZINC000574386887 377657145 /nfs/dbraw/zinc/65/71/45/377657145.db2.gz OAHFKCVJFCESQM-GFCCVEGCSA-N 1 1 298.365 3.081 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253198141 377680612 /nfs/dbraw/zinc/68/06/12/377680612.db2.gz AELNSGCBGJBYLQ-BZUAXINKSA-N 1 1 251.414 3.358 20 30 CGEDMO C=CCC[N@H+](C)Cc1ncc(-c2cccc(F)c2)o1 ZINC000342735138 377764622 /nfs/dbraw/zinc/76/46/22/377764622.db2.gz OBBGFLJMNIQDLJ-UHFFFAOYSA-N 1 1 260.312 3.489 20 30 CGEDMO CCC[N@@H+](CC1(C#N)CC1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000343320767 377951878 /nfs/dbraw/zinc/95/18/78/377951878.db2.gz MNCHFSQPKAUPKG-KGLIPLIRSA-N 1 1 264.413 3.206 20 30 CGEDMO CCC[N@@H+](CC1(C#N)CC1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000343320770 377952163 /nfs/dbraw/zinc/95/21/63/377952163.db2.gz MNCHFSQPKAUPKG-ZIAGYGMSSA-N 1 1 264.413 3.206 20 30 CGEDMO CCCC[N@@H+](Cc1ccc(OCC#N)cc1)C1CC1 ZINC000264544542 377988257 /nfs/dbraw/zinc/98/82/57/377988257.db2.gz IVIRMYLDDJVTSQ-UHFFFAOYSA-N 1 1 258.365 3.353 20 30 CGEDMO CC1(C)C[N@H+](Cc2ccc(C#N)cn2)Cc2ccccc2O1 ZINC000575812460 377994076 /nfs/dbraw/zinc/99/40/76/377994076.db2.gz MFDVAROMAYUPBW-UHFFFAOYSA-N 1 1 293.370 3.126 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cn2)Cc2ccccc2O1 ZINC000575812460 377994086 /nfs/dbraw/zinc/99/40/86/377994086.db2.gz MFDVAROMAYUPBW-UHFFFAOYSA-N 1 1 293.370 3.126 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2nc(C#N)cs2)[C@H]2CCCC[C@H]12 ZINC000575844299 377995366 /nfs/dbraw/zinc/99/53/66/377995366.db2.gz WNTCASISFBYCLA-BNOWGMLFSA-N 1 1 275.421 3.415 20 30 CGEDMO C[N@H+](CCCC(C)(C)C#N)Cc1cnn(-c2ccccc2)n1 ZINC000266917354 378027389 /nfs/dbraw/zinc/02/73/89/378027389.db2.gz NQXJYANJBFKRLB-UHFFFAOYSA-N 1 1 297.406 3.029 20 30 CGEDMO C[N@@H+](CCCC(C)(C)C#N)Cc1cnn(-c2ccccc2)n1 ZINC000266917354 378027397 /nfs/dbraw/zinc/02/73/97/378027397.db2.gz NQXJYANJBFKRLB-UHFFFAOYSA-N 1 1 297.406 3.029 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000268580660 378076669 /nfs/dbraw/zinc/07/66/69/378076669.db2.gz SWRSXKWQXNDAJF-WCQYABFASA-N 1 1 268.426 3.080 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)[C@@H](CO)CC(C)C)cc1 ZINC000574677778 335038844 /nfs/dbraw/zinc/03/88/44/335038844.db2.gz KIXLPZGDVTYLTI-MRXNPFEDSA-N 1 1 277.408 3.090 20 30 CGEDMO Cc1ccccc1[C@H]1CC[N@@H+](CCCSCC#N)C1 ZINC000266687352 378024887 /nfs/dbraw/zinc/02/48/87/378024887.db2.gz BHQOGBAISSMCCM-HNNXBMFYSA-N 1 1 274.433 3.431 20 30 CGEDMO C=CCCC[N@@H+]1CCO[C@H](c2cccc(OC)c2)C1 ZINC000268862402 378133089 /nfs/dbraw/zinc/13/30/89/378133089.db2.gz FPKVCGOXCAKPMF-INIZCTEOSA-N 1 1 261.365 3.035 20 30 CGEDMO C=CCCC[N@H+]1CCO[C@H](c2cccc(OC)c2)C1 ZINC000268862402 378133092 /nfs/dbraw/zinc/13/30/92/378133092.db2.gz FPKVCGOXCAKPMF-INIZCTEOSA-N 1 1 261.365 3.035 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000268676452 378089543 /nfs/dbraw/zinc/08/95/43/378089543.db2.gz VYRDKNTWMXTWAM-HZPDHXFCSA-N 1 1 263.356 3.290 20 30 CGEDMO N#CC1(CC[NH+]2CC(C(F)(F)F)C2)CCCCC1 ZINC000579806800 378196992 /nfs/dbraw/zinc/19/69/92/378196992.db2.gz IWOOTZFJFLCDJT-UHFFFAOYSA-N 1 1 260.303 3.345 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)nc1 ZINC000580273254 378236079 /nfs/dbraw/zinc/23/60/79/378236079.db2.gz VLTIIGJVQHECFC-QGZVFWFLSA-N 1 1 295.411 3.243 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCSC[C@@H]2c2ccccc2)nc1 ZINC000580273254 378236082 /nfs/dbraw/zinc/23/60/82/378236082.db2.gz VLTIIGJVQHECFC-QGZVFWFLSA-N 1 1 295.411 3.243 20 30 CGEDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000580372653 378246564 /nfs/dbraw/zinc/24/65/64/378246564.db2.gz YBZUJUCZFWJIIR-BETUJISGSA-N 1 1 298.308 3.186 20 30 CGEDMO Cc1nnsc1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000583502795 378326850 /nfs/dbraw/zinc/32/68/50/378326850.db2.gz FKRHDGQLGKZXOH-UHFFFAOYSA-N 1 1 296.399 3.008 20 30 CGEDMO Cc1nnsc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000583502795 378326856 /nfs/dbraw/zinc/32/68/56/378326856.db2.gz FKRHDGQLGKZXOH-UHFFFAOYSA-N 1 1 296.399 3.008 20 30 CGEDMO C=CCCCCC[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1C ZINC000583721675 378341897 /nfs/dbraw/zinc/34/18/97/378341897.db2.gz JSHKXMSXNSQEJS-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO CCC[N@@H+](CCCn1ccnc1C)Cc1ccc(C#N)cc1 ZINC000270644743 378381099 /nfs/dbraw/zinc/38/10/99/378381099.db2.gz NRFUFVCCTMHXRB-UHFFFAOYSA-N 1 1 296.418 3.366 20 30 CGEDMO C#CCCC[N@H+](CC)CC1CCN(c2ccccn2)CC1 ZINC000271059613 378444035 /nfs/dbraw/zinc/44/40/35/378444035.db2.gz SEGSPFGLAIPAAF-UHFFFAOYSA-N 1 1 285.435 3.033 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1C ZINC000271067123 378445751 /nfs/dbraw/zinc/44/57/51/378445751.db2.gz UPSSXWUBCWLTES-ZIAGYGMSSA-N 1 1 258.365 3.067 20 30 CGEDMO C#CCCC[N@@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000271073602 378447069 /nfs/dbraw/zinc/44/70/69/378447069.db2.gz WFLKVIDQVZQWRF-HNNXBMFYSA-N 1 1 295.329 3.075 20 30 CGEDMO C#CCCC[N@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000271073602 378447073 /nfs/dbraw/zinc/44/70/73/378447073.db2.gz WFLKVIDQVZQWRF-HNNXBMFYSA-N 1 1 295.329 3.075 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)s1)C[C@@H]1OCCc2ccccc21 ZINC000271156613 378465006 /nfs/dbraw/zinc/46/50/06/378465006.db2.gz VWINSFHLGRYULO-KRWDZBQOSA-N 1 1 298.411 3.366 20 30 CGEDMO C[C@H](c1cccnc1)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000271465725 378493261 /nfs/dbraw/zinc/49/32/61/378493261.db2.gz FSGJOBCCJUTTNO-CQSZACIVSA-N 1 1 281.359 3.177 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cnc(C)s1 ZINC000272301607 378607396 /nfs/dbraw/zinc/60/73/96/378607396.db2.gz PRYBQRPTCINTDQ-UHFFFAOYSA-N 1 1 262.378 3.275 20 30 CGEDMO COc1c(O)cccc1C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000272520630 378656303 /nfs/dbraw/zinc/65/63/03/378656303.db2.gz YFDLEGSFULLFIB-UHFFFAOYSA-N 1 1 294.354 3.051 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000346943639 378697892 /nfs/dbraw/zinc/69/78/92/378697892.db2.gz LLARFYYLFGQCSP-OAHLLOKOSA-N 1 1 282.391 3.223 20 30 CGEDMO C=C[C@@H](CC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000272677148 378687676 /nfs/dbraw/zinc/68/76/76/378687676.db2.gz KDBBPNARJWHXGS-HOTGVXAUSA-N 1 1 298.430 3.113 20 30 CGEDMO C=CCOCCC[N@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000348044410 378764548 /nfs/dbraw/zinc/76/45/48/378764548.db2.gz HNVQZJFQCCIYRB-DZGCQCFKSA-N 1 1 281.421 3.103 20 30 CGEDMO C=CCOCCC[N@@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000348044410 378764554 /nfs/dbraw/zinc/76/45/54/378764554.db2.gz HNVQZJFQCCIYRB-DZGCQCFKSA-N 1 1 281.421 3.103 20 30 CGEDMO C=CCOCCC[N@@H+]1C[C@@H](c2ccccc2)OCC1(C)C ZINC000348050298 378767743 /nfs/dbraw/zinc/76/77/43/378767743.db2.gz MAASAKRBBMGUMI-KRWDZBQOSA-N 1 1 289.419 3.431 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1OCc1cccnc1)C1CC1 ZINC000274161199 378784817 /nfs/dbraw/zinc/78/48/17/378784817.db2.gz UVGDVNIBSQUHKQ-UHFFFAOYSA-N 1 1 292.382 3.258 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1OCc1cccnc1)C1CC1 ZINC000274161199 378784822 /nfs/dbraw/zinc/78/48/22/378784822.db2.gz UVGDVNIBSQUHKQ-UHFFFAOYSA-N 1 1 292.382 3.258 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000348224004 378847892 /nfs/dbraw/zinc/84/78/92/378847892.db2.gz BGAPFZGAMZAJCT-IIYDPXPESA-N 1 1 270.376 3.119 20 30 CGEDMO C[N@@H+](Cc1ccc(Cl)cc1C#N)C[C@H]1CCCCO1 ZINC000274751102 378889124 /nfs/dbraw/zinc/88/91/24/378889124.db2.gz HOOZVVICKGZVSN-OAHLLOKOSA-N 1 1 278.783 3.213 20 30 CGEDMO C[N@H+](Cc1ccc(Cl)cc1C#N)C[C@H]1CCCCO1 ZINC000274751102 378889125 /nfs/dbraw/zinc/88/91/25/378889125.db2.gz HOOZVVICKGZVSN-OAHLLOKOSA-N 1 1 278.783 3.213 20 30 CGEDMO C=CCCC[N@@H+](C)Cc1nc(Cc2cccc(F)c2)no1 ZINC000278523311 194026332 /nfs/dbraw/zinc/02/63/32/194026332.db2.gz OZLSTYINDZGDQE-UHFFFAOYSA-N 1 1 289.354 3.198 20 30 CGEDMO C=CCCC[N@H+](C)Cc1nc(Cc2cccc(F)c2)no1 ZINC000278523311 194026333 /nfs/dbraw/zinc/02/63/33/194026333.db2.gz OZLSTYINDZGDQE-UHFFFAOYSA-N 1 1 289.354 3.198 20 30 CGEDMO CC[N@@H+](CCCO)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000348321996 378906870 /nfs/dbraw/zinc/90/68/70/378906870.db2.gz FDRXLZCDFARLIA-UHFFFAOYSA-N 1 1 294.398 3.430 20 30 CGEDMO C=CCc1cccc(C(C)C)c1NC(=O)C[NH+](C)C ZINC000276698283 378981732 /nfs/dbraw/zinc/98/17/32/378981732.db2.gz YQWGBXRVKSCNBM-UHFFFAOYSA-N 1 1 260.381 3.039 20 30 CGEDMO CC(C)[N@H+](Cc1cc(C#N)n(C)c1)Cc1cccs1 ZINC000276776273 378995942 /nfs/dbraw/zinc/99/59/42/378995942.db2.gz POGKHBIPZWFJLP-UHFFFAOYSA-N 1 1 273.405 3.369 20 30 CGEDMO C[N@@H+](CCCc1ccncc1)Cc1cccc(C#N)c1 ZINC000347337897 218195995 /nfs/dbraw/zinc/19/59/95/218195995.db2.gz HKAJMOOKICVAGH-UHFFFAOYSA-N 1 1 265.360 3.018 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278736545 194130156 /nfs/dbraw/zinc/13/01/56/194130156.db2.gz LLDMJOMUODLFLQ-NSHDSACASA-N 1 1 268.282 3.333 20 30 CGEDMO CCOC1CC([N@H+](C)Cc2ccc(Cl)cc2C#N)C1 ZINC000347441327 218236094 /nfs/dbraw/zinc/23/60/94/218236094.db2.gz GOUOXJVGNCXJMW-UHFFFAOYSA-N 1 1 278.783 3.211 20 30 CGEDMO CCOC1CC([N@@H+](C)Cc2ccc(Cl)cc2C#N)C1 ZINC000347441327 218236095 /nfs/dbraw/zinc/23/60/95/218236095.db2.gz GOUOXJVGNCXJMW-UHFFFAOYSA-N 1 1 278.783 3.211 20 30 CGEDMO CCCn1ccnc1CCC[N@@H+](C)CC#Cc1ccccc1 ZINC000277198063 379095510 /nfs/dbraw/zinc/09/55/10/379095510.db2.gz MJHMKOLLHDFBJU-UHFFFAOYSA-N 1 1 295.430 3.209 20 30 CGEDMO C=CC[C@@H]1[N@@H+](CCc2cnn(C)c2)CCCC1(C)C ZINC000277628545 379204087 /nfs/dbraw/zinc/20/40/87/379204087.db2.gz AYTFHYBTHMYZAW-HNNXBMFYSA-N 1 1 261.413 3.029 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000639348226 379303292 /nfs/dbraw/zinc/30/32/92/379303292.db2.gz PBWBPYJLTRDVTP-DLBZAZTESA-N 1 1 270.420 3.411 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278944880 194223812 /nfs/dbraw/zinc/22/38/12/194223812.db2.gz YHKWJCDUCGJYAQ-LBPRGKRZSA-N 1 1 298.308 3.341 20 30 CGEDMO N#C[C@@H]1CC[C@H]([NH2+]Cc2csc(-c3ccco3)n2)C1 ZINC000349822107 379401638 /nfs/dbraw/zinc/40/16/38/379401638.db2.gz OMNPFRNCTANTNJ-MNOVXSKESA-N 1 1 273.361 3.185 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)Cc2conc2CC)cc1 ZINC000350243536 379532173 /nfs/dbraw/zinc/53/21/73/379532173.db2.gz XHTQHAXXZSAPFU-UHFFFAOYSA-N 1 1 286.375 3.434 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)Cc2conc2CC)cc1 ZINC000350243536 379532182 /nfs/dbraw/zinc/53/21/82/379532182.db2.gz XHTQHAXXZSAPFU-UHFFFAOYSA-N 1 1 286.375 3.434 20 30 CGEDMO Cc1cc(C#N)cc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)n1 ZINC000376401284 379550784 /nfs/dbraw/zinc/55/07/84/379550784.db2.gz AAPDNMJVJBXLKP-AEFFLSMTSA-N 1 1 292.386 3.119 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)C/C=C/c2ccccc2)n1 ZINC000279766845 379512583 /nfs/dbraw/zinc/51/25/83/379512583.db2.gz SGVGSHBCPMITCN-DHZHZOJOSA-N 1 1 279.387 3.052 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)C/C=C/c2ccccc2)n1 ZINC000279766845 379512590 /nfs/dbraw/zinc/51/25/90/379512590.db2.gz SGVGSHBCPMITCN-DHZHZOJOSA-N 1 1 279.387 3.052 20 30 CGEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)C(C)(C)C1 ZINC000266927210 190291461 /nfs/dbraw/zinc/29/14/61/190291461.db2.gz KORZYQUGJJTOFJ-ZDUSSCGKSA-N 1 1 285.391 3.007 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000267142022 190306511 /nfs/dbraw/zinc/30/65/11/190306511.db2.gz IUDGPGCTNDEQJP-HNNXBMFYSA-N 1 1 287.407 3.007 20 30 CGEDMO C#CCCCC(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000280301313 379670178 /nfs/dbraw/zinc/67/01/78/379670178.db2.gz SXCGIDBTHUECJA-UHFFFAOYSA-N 1 1 278.783 3.144 20 30 CGEDMO C=CCCCN1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639988681 379680022 /nfs/dbraw/zinc/68/00/22/379680022.db2.gz XFXUCDVTQJFTOR-UHFFFAOYSA-N 1 1 250.430 3.293 20 30 CGEDMO C=CC[N@H+](CCC(=O)OCC)CC1CCCCC1 ZINC000351867644 379748482 /nfs/dbraw/zinc/74/84/82/379748482.db2.gz ZKFKSNPUEGRVLW-UHFFFAOYSA-N 1 1 253.386 3.008 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000193408082 542272733 /nfs/dbraw/zinc/27/27/33/542272733.db2.gz RDKDQGLSPQVZAY-INIZCTEOSA-N 1 1 260.381 3.281 20 30 CGEDMO CC1(C)C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)[C@@H]2CCC[C@@H]21 ZINC000378831691 379856669 /nfs/dbraw/zinc/85/66/69/379856669.db2.gz KHVKNCBTCWDFFT-JKSUJKDBSA-N 1 1 297.402 3.007 20 30 CGEDMO COc1cc(C[N@@H+]2CCc3ccsc3C2)ccc1C#N ZINC000282165774 379865165 /nfs/dbraw/zinc/86/51/65/379865165.db2.gz DQZYGPXVKDFQHC-UHFFFAOYSA-N 1 1 284.384 3.187 20 30 CGEDMO COc1cc(C[N@H+]2CCc3ccsc3C2)ccc1C#N ZINC000282165774 379865172 /nfs/dbraw/zinc/86/51/72/379865172.db2.gz DQZYGPXVKDFQHC-UHFFFAOYSA-N 1 1 284.384 3.187 20 30 CGEDMO C[N@@H+](CCOc1ccccc1C#N)C1CC(C)(C)C1 ZINC000395504945 379921597 /nfs/dbraw/zinc/92/15/97/379921597.db2.gz YIOBZLYWKCMADQ-UHFFFAOYSA-N 1 1 258.365 3.057 20 30 CGEDMO C=CCCCn1cc([C@@H]([NH3+])c2ccc(Cl)cc2F)nn1 ZINC000640935675 379877335 /nfs/dbraw/zinc/87/73/35/379877335.db2.gz HZWUYZWZDSITKQ-AWEZNQCLSA-N 1 1 294.761 3.085 20 30 CGEDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000352886134 380021151 /nfs/dbraw/zinc/02/11/51/380021151.db2.gz FSINZYDBWVPDJL-MAUKXSAKSA-N 1 1 286.419 3.268 20 30 CGEDMO CCN1CC[C@H]([N@H+](C)CCCCC(C)(C)C#N)[C@@H](C)C1 ZINC000409446497 380036360 /nfs/dbraw/zinc/03/63/60/380036360.db2.gz RUYCTULZXLOSKC-HOTGVXAUSA-N 1 1 279.472 3.369 20 30 CGEDMO CCN1CC[C@H]([N@@H+](C)CCCCC(C)(C)C#N)[C@@H](C)C1 ZINC000409446497 380036365 /nfs/dbraw/zinc/03/63/65/380036365.db2.gz RUYCTULZXLOSKC-HOTGVXAUSA-N 1 1 279.472 3.369 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cnc2cc(C)ccn12 ZINC000352928422 380043951 /nfs/dbraw/zinc/04/39/51/380043951.db2.gz CEIPIVDXNPMISD-UHFFFAOYSA-N 1 1 295.386 3.466 20 30 CGEDMO C[N@@H+](CCC1(C#N)CCCCC1)Cc1cccnc1 ZINC000411400323 380141310 /nfs/dbraw/zinc/14/13/10/380141310.db2.gz JCMFZJQVVYIBRK-UHFFFAOYSA-N 1 1 257.381 3.378 20 30 CGEDMO CCCOc1ccc([C@H](C)[NH2+]CCC#N)cc1OC ZINC000411447358 380146612 /nfs/dbraw/zinc/14/66/12/380146612.db2.gz JQNWRKJCLVXLIH-LBPRGKRZSA-N 1 1 262.353 3.048 20 30 CGEDMO C[C@H]([NH2+]Cc1ccccc1C#N)c1ccc2n[nH]cc2c1 ZINC000353091125 380111107 /nfs/dbraw/zinc/11/11/07/380111107.db2.gz PFGBBMYONRAZFN-LBPRGKRZSA-N 1 1 276.343 3.285 20 30 CGEDMO Cc1cc(C[NH2+][C@H](C)c2c(F)cncc2F)ccc1C#N ZINC000353117788 380124203 /nfs/dbraw/zinc/12/42/03/380124203.db2.gz KEMZVRMLCDZPGD-LLVKDONJSA-N 1 1 287.313 3.391 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)NCCC(C)C ZINC000411131905 380129351 /nfs/dbraw/zinc/12/93/51/380129351.db2.gz FXYFREHMMQPPHV-CQSZACIVSA-N 1 1 294.464 3.287 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)NCCC(C)C ZINC000411131905 380129358 /nfs/dbraw/zinc/12/93/58/380129358.db2.gz FXYFREHMMQPPHV-CQSZACIVSA-N 1 1 294.464 3.287 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@@H](C)COC ZINC000411138583 380130182 /nfs/dbraw/zinc/13/01/82/380130182.db2.gz RYBXPRULIVCDHF-JTQLQIEISA-N 1 1 259.802 3.424 20 30 CGEDMO C=CC[NH+](CC=C)[C@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000411165925 380132284 /nfs/dbraw/zinc/13/22/84/380132284.db2.gz QPWUFULHUGWZMO-JKSUJKDBSA-N 1 1 286.419 3.235 20 30 CGEDMO C=CC[NH+](CC=C)[C@H](C)C(=O)N(C)Cc1ccccc1C ZINC000411165794 380132395 /nfs/dbraw/zinc/13/23/95/380132395.db2.gz QPLQXAVVVFRUFQ-MRXNPFEDSA-N 1 1 286.419 3.016 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)[C@H](C)c1nc(C)cc(=O)[nH]1 ZINC000411187935 380133309 /nfs/dbraw/zinc/13/33/09/380133309.db2.gz BRUWJLIEXITGOJ-OAHLLOKOSA-N 1 1 297.402 3.282 20 30 CGEDMO C[C@@H](CCC#N)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000411186375 380134533 /nfs/dbraw/zinc/13/45/33/380134533.db2.gz OAODFDJZPNOMPT-INIZCTEOSA-N 1 1 277.456 3.267 20 30 CGEDMO Cc1nc2sccn2c1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000268239697 190388894 /nfs/dbraw/zinc/38/88/94/190388894.db2.gz MVNCMALGUXKDTC-UHFFFAOYSA-N 1 1 296.399 3.208 20 30 CGEDMO Cc1nc2sccn2c1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000268239697 190388895 /nfs/dbraw/zinc/38/88/95/190388895.db2.gz MVNCMALGUXKDTC-UHFFFAOYSA-N 1 1 296.399 3.208 20 30 CGEDMO COc1ccc(C[N@H+](C)CC(C)(C)C#N)cc1OC(F)F ZINC000354010318 380276928 /nfs/dbraw/zinc/27/69/28/380276928.db2.gz NIHIHRXXSCTXJQ-UHFFFAOYSA-N 1 1 298.333 3.278 20 30 CGEDMO COc1ccc(C[N@@H+](C)CC(C)(C)C#N)cc1OC(F)F ZINC000354010318 380276932 /nfs/dbraw/zinc/27/69/32/380276932.db2.gz NIHIHRXXSCTXJQ-UHFFFAOYSA-N 1 1 298.333 3.278 20 30 CGEDMO COc1cc(C[N@H+](C)CC(C)(C)C#N)ccc1SC ZINC000354017118 380281047 /nfs/dbraw/zinc/28/10/47/380281047.db2.gz HEGSRBZAFXZYKP-UHFFFAOYSA-N 1 1 278.421 3.399 20 30 CGEDMO COc1cc(C[N@@H+](C)CC(C)(C)C#N)ccc1SC ZINC000354017118 380281049 /nfs/dbraw/zinc/28/10/49/380281049.db2.gz HEGSRBZAFXZYKP-UHFFFAOYSA-N 1 1 278.421 3.399 20 30 CGEDMO C=CCOc1ccc(C[N@H+](CC)[C@H](C)CO)cc1Cl ZINC000354437309 380437916 /nfs/dbraw/zinc/43/79/16/380437916.db2.gz RLGBSQCBFFMYFE-GFCCVEGCSA-N 1 1 283.799 3.108 20 30 CGEDMO CCc1nc(N[C@@H]2CCCc3cc(C#N)ccc32)cc(C)[nH+]1 ZINC000419015578 380762718 /nfs/dbraw/zinc/76/27/18/380762718.db2.gz NDBLYTJOOUYYFV-MRXNPFEDSA-N 1 1 292.386 3.131 20 30 CGEDMO Cc1ccncc1C[N@@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000355611127 380727278 /nfs/dbraw/zinc/72/72/78/380727278.db2.gz SEPWXLPNGKVUDR-UHFFFAOYSA-N 1 1 265.360 3.202 20 30 CGEDMO C[N@@H+](CCOCCC#N)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419330185 380805273 /nfs/dbraw/zinc/80/52/73/380805273.db2.gz HRRAZTJQPDUMAK-UONOGXRCSA-N 1 1 252.402 3.063 20 30 CGEDMO C=CCOCCC[N@@H+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000420933252 380861997 /nfs/dbraw/zinc/86/19/97/380861997.db2.gz WAYKFSKLZCSWAJ-GJZGRUSLSA-N 1 1 297.439 3.021 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@H](CCO)CC2)c1 ZINC000421393141 380940800 /nfs/dbraw/zinc/94/08/00/380940800.db2.gz DHVVNRSAZMXBJR-INIZCTEOSA-N 1 1 289.419 3.236 20 30 CGEDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC000334782049 207067463 /nfs/dbraw/zinc/06/74/63/207067463.db2.gz UKEPXTBZWOVLRH-KWQFWETISA-N 1 1 274.311 3.392 20 30 CGEDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)s1 ZINC000334782049 207067467 /nfs/dbraw/zinc/06/74/67/207067467.db2.gz UKEPXTBZWOVLRH-KWQFWETISA-N 1 1 274.311 3.392 20 30 CGEDMO C=C(C)C[N@@H+](CCC1OCCCO1)Cc1ccccc1 ZINC000279346527 194394364 /nfs/dbraw/zinc/39/43/64/194394364.db2.gz QDXMXUBXOLUYQC-UHFFFAOYSA-N 1 1 275.392 3.218 20 30 CGEDMO CC[C@H]1CC[C@H](C)[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000357555592 381206690 /nfs/dbraw/zinc/20/66/90/381206690.db2.gz SORDBEIKZWZLDZ-ZFWWWQNUSA-N 1 1 288.391 3.209 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1cnc(-c2ccc(C)o2)s1 ZINC000358291587 381302013 /nfs/dbraw/zinc/30/20/13/381302013.db2.gz SXTMALBUPXWWFW-NSHDSACASA-N 1 1 275.377 3.493 20 30 CGEDMO C=C(CC)C[NH+]1CCN(C(=O)CCC2CCCC2)CC1 ZINC000358634763 381321238 /nfs/dbraw/zinc/32/12/38/381321238.db2.gz UEIVEIMQFRWVCG-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=C(CC)C[N@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000358496842 381312223 /nfs/dbraw/zinc/31/22/23/381312223.db2.gz JWJCOOZCLLIEHE-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=C(CC)C[N@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000358511451 381314078 /nfs/dbraw/zinc/31/40/78/381314078.db2.gz RNMXLEMWMWKWSA-JSGCOSHPSA-N 1 1 251.395 3.476 20 30 CGEDMO C=C(CC)C[N@@H+]1C[C@@H](c2ccsc2)O[C@@H](C)C1 ZINC000358511451 381314084 /nfs/dbraw/zinc/31/40/84/381314084.db2.gz RNMXLEMWMWKWSA-JSGCOSHPSA-N 1 1 251.395 3.476 20 30 CGEDMO C=C(CC)C[N@@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000358609574 381319124 /nfs/dbraw/zinc/31/91/24/381319124.db2.gz DLIUJMROXCHUMU-UHFFFAOYSA-N 1 1 286.419 3.189 20 30 CGEDMO N#Cc1ccc(F)c(C[NH+]2CCC(OCC3CC3)CC2)c1 ZINC000360016610 381412423 /nfs/dbraw/zinc/41/24/23/381412423.db2.gz BDHYXSYHZLDDMX-UHFFFAOYSA-N 1 1 288.366 3.088 20 30 CGEDMO C[C@@H]1CCCC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000360627719 381598235 /nfs/dbraw/zinc/59/82/35/381598235.db2.gz CJKCNNAPPVYNFS-CQSZACIVSA-N 1 1 258.365 3.059 20 30 CGEDMO CCCCCCC[N@H+]1CCCN(C[C@@H]2CCCO2)CC1 ZINC000740878593 572464539 /nfs/dbraw/zinc/46/45/39/572464539.db2.gz NYAJAWUNPCYODN-KRWDZBQOSA-N 1 1 282.472 3.144 20 30 CGEDMO CCCCCCCN1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000740878593 572464546 /nfs/dbraw/zinc/46/45/46/572464546.db2.gz NYAJAWUNPCYODN-KRWDZBQOSA-N 1 1 282.472 3.144 20 30 CGEDMO CCCCCCCN1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000740878593 572464552 /nfs/dbraw/zinc/46/45/52/572464552.db2.gz NYAJAWUNPCYODN-KRWDZBQOSA-N 1 1 282.472 3.144 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCCN(C(C)C)C1=O ZINC000361453237 381752224 /nfs/dbraw/zinc/75/22/24/381752224.db2.gz CSGCFCWEOPPWTO-OAHLLOKOSA-N 1 1 266.429 3.064 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCCN(C(C)C)C1=O ZINC000361453236 381752949 /nfs/dbraw/zinc/75/29/49/381752949.db2.gz CSGCFCWEOPPWTO-HNNXBMFYSA-N 1 1 266.429 3.064 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H]1CCC(C)(C)C1 ZINC000361467266 381758210 /nfs/dbraw/zinc/75/82/10/381758210.db2.gz BWZXYKPMWYKHFA-INIZCTEOSA-N 1 1 299.418 3.397 20 30 CGEDMO Cn1cc(C[N@H+](C)Cc2ccc(Cl)s2)cc1C#N ZINC000361495031 381775209 /nfs/dbraw/zinc/77/52/09/381775209.db2.gz BMAFVXRZEZNJNW-UHFFFAOYSA-N 1 1 279.796 3.244 20 30 CGEDMO Cn1cc(C[N@@H+](C)Cc2ccc(Cl)s2)cc1C#N ZINC000361495031 381775218 /nfs/dbraw/zinc/77/52/18/381775218.db2.gz BMAFVXRZEZNJNW-UHFFFAOYSA-N 1 1 279.796 3.244 20 30 CGEDMO N#Cc1cc(C[N@@H+](CC2CC2)C2CCC2)ccc1F ZINC000361582121 381818606 /nfs/dbraw/zinc/81/86/06/381818606.db2.gz IIMWLODZKFOTRN-UHFFFAOYSA-N 1 1 258.340 3.462 20 30 CGEDMO C=CC[N@@H+](CCOC)Cc1cc(-c2ccc(F)cc2)no1 ZINC000361996805 381879115 /nfs/dbraw/zinc/87/91/15/381879115.db2.gz PAGNZDMAADJNOO-UHFFFAOYSA-N 1 1 290.338 3.115 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cc(-c2ccc(F)cc2)no1 ZINC000361996805 381879122 /nfs/dbraw/zinc/87/91/22/381879122.db2.gz PAGNZDMAADJNOO-UHFFFAOYSA-N 1 1 290.338 3.115 20 30 CGEDMO CCCC[N@@H+](C)CCN[C@H](CC)c1ccc(C#N)cc1 ZINC000573068271 322368414 /nfs/dbraw/zinc/36/84/14/322368414.db2.gz PRPCPIDPNLTNPV-QGZVFWFLSA-N 1 1 273.424 3.331 20 30 CGEDMO CCCC[N@H+](C)CCN[C@H](CC)c1ccc(C#N)cc1 ZINC000573068271 322368411 /nfs/dbraw/zinc/36/84/11/322368411.db2.gz PRPCPIDPNLTNPV-QGZVFWFLSA-N 1 1 273.424 3.331 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@H]1CCC=CO1 ZINC000365793613 382295129 /nfs/dbraw/zinc/29/51/29/382295129.db2.gz GNTRYHYUEHCVBK-KZNAEPCWSA-N 1 1 282.387 3.451 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@H]1CCC=CO1 ZINC000365793613 382295132 /nfs/dbraw/zinc/29/51/32/382295132.db2.gz GNTRYHYUEHCVBK-KZNAEPCWSA-N 1 1 282.387 3.451 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000335378538 208317111 /nfs/dbraw/zinc/31/71/11/208317111.db2.gz HAMTVGRCAWEHOR-WMLDXEAASA-N 1 1 288.366 3.088 20 30 CGEDMO C[C@H]1C[N@@H+](CCOc2cccc(C#N)c2)C(C)(C)C1 ZINC000350262475 219003740 /nfs/dbraw/zinc/00/37/40/219003740.db2.gz ZTEFRVBJPMQBCL-CYBMUJFWSA-N 1 1 258.365 3.057 20 30 CGEDMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2)C1 ZINC000281167118 195132485 /nfs/dbraw/zinc/13/24/85/195132485.db2.gz GQWFZAWRDWXOCG-FDPIWHGQSA-N 1 1 298.430 3.320 20 30 CGEDMO C[C@@H]1[C@@H](Nc2ccc(C#N)cn2)CC[N@H+]1Cc1ccccc1 ZINC000288367625 197060419 /nfs/dbraw/zinc/06/04/19/197060419.db2.gz YGAYZGQSRHLETJ-PBHICJAKSA-N 1 1 292.386 3.028 20 30 CGEDMO CC[C@@](C)(O)C[N@@H+](CCCCC#N)Cc1ccccc1 ZINC000189740711 262175566 /nfs/dbraw/zinc/17/55/66/262175566.db2.gz ATVMVLFIZDCGRD-QGZVFWFLSA-N 1 1 274.408 3.343 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000336797480 262396969 /nfs/dbraw/zinc/39/69/69/262396969.db2.gz AJIGHTMCFXFIPH-GJZGRUSLSA-N 1 1 264.413 3.065 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1c(F)cncc1F ZINC000353222653 533444433 /nfs/dbraw/zinc/44/44/33/533444433.db2.gz UXDHSONOCKNVNS-LLVKDONJSA-N 1 1 287.313 3.277 20 30 CGEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2cc(C#N)n(C)c2)cc1 ZINC000191149731 130191085 /nfs/dbraw/zinc/19/10/85/130191085.db2.gz QAHSXZJHEFWVKP-GOSISDBHSA-N 1 1 295.386 3.242 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@@H]2Cc2ccccc2)cc1C#N ZINC000191207387 130201359 /nfs/dbraw/zinc/20/13/59/130201359.db2.gz BDSFLAZHESPHPX-QGZVFWFLSA-N 1 1 279.387 3.104 20 30 CGEDMO CC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000037022696 391978880 /nfs/dbraw/zinc/97/88/80/391978880.db2.gz RCHNEUWCSRSHKA-MRXNPFEDSA-N 1 1 285.391 3.151 20 30 CGEDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)[C@H](C)C1 ZINC000051731846 392073693 /nfs/dbraw/zinc/07/36/93/392073693.db2.gz JQGYONOAJXKUAF-ZIAGYGMSSA-N 1 1 285.391 3.007 20 30 CGEDMO C=Cn1cc(C[N@H+](CC)[C@@H](C)c2ccc(C#N)cc2)cn1 ZINC000193717926 130647690 /nfs/dbraw/zinc/64/76/90/130647690.db2.gz DXXHAUGZQDUQRL-AWEZNQCLSA-N 1 1 280.375 3.438 20 30 CGEDMO C[C@H]1CCCC[C@H]1[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000055386617 392096486 /nfs/dbraw/zinc/09/64/86/392096486.db2.gz JVPVLGAOLIAOSI-WMLDXEAASA-N 1 1 272.392 3.448 20 30 CGEDMO CC[N@@H+](Cc1cc(C)no1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477462 392122649 /nfs/dbraw/zinc/12/26/49/392122649.db2.gz QWQZPQXSLVACCX-CYBMUJFWSA-N 1 1 269.348 3.438 20 30 CGEDMO C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C1CCC1 ZINC000093475695 392237472 /nfs/dbraw/zinc/23/74/72/392237472.db2.gz ZYCRVXFMKOKCOT-UHFFFAOYSA-N 1 1 294.402 3.448 20 30 CGEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1cccnc1C ZINC000092504553 392232813 /nfs/dbraw/zinc/23/28/13/392232813.db2.gz BYIAVHFUEVYOJU-UHFFFAOYSA-N 1 1 277.371 3.450 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1cccnc1C ZINC000092504553 392232818 /nfs/dbraw/zinc/23/28/18/392232818.db2.gz BYIAVHFUEVYOJU-UHFFFAOYSA-N 1 1 277.371 3.450 20 30 CGEDMO C[C@@H](CC#N)[N@H+](C)Cc1cccc(-c2cccnc2)c1 ZINC000093090680 392233962 /nfs/dbraw/zinc/23/39/62/392233962.db2.gz PUDVACQPKPBOQS-AWEZNQCLSA-N 1 1 265.360 3.483 20 30 CGEDMO C[C@@H](CC#N)[N@@H+](C)Cc1cccc(-c2cccnc2)c1 ZINC000093090680 392233965 /nfs/dbraw/zinc/23/39/65/392233965.db2.gz PUDVACQPKPBOQS-AWEZNQCLSA-N 1 1 265.360 3.483 20 30 CGEDMO C#CC[C@H]([NH2+][C@@H](C)c1cc(C)n(C)n1)c1ccccc1 ZINC000282307061 392287805 /nfs/dbraw/zinc/28/78/05/392287805.db2.gz SWKQBANBOXKQIK-HOCLYGCPSA-N 1 1 267.376 3.144 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000282778819 392295486 /nfs/dbraw/zinc/29/54/86/392295486.db2.gz KOJGVXNOZCDREY-UHFFFAOYSA-N 1 1 255.365 3.013 20 30 CGEDMO C=CCC[C@H](NC[C@@H]1CC[N@H+](CC)C1)c1ccco1 ZINC000285663523 392329441 /nfs/dbraw/zinc/32/94/41/392329441.db2.gz MYTNDXXKUWGMSS-GJZGRUSLSA-N 1 1 262.397 3.218 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)CC1CC(OCC)C1 ZINC000286085726 392374058 /nfs/dbraw/zinc/37/40/58/392374058.db2.gz TWZVHEYKSQHDSS-UHFFFAOYSA-N 1 1 289.419 3.498 20 30 CGEDMO N#CCC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000123932769 392432262 /nfs/dbraw/zinc/43/22/62/392432262.db2.gz AIDNLOBYIWJKJK-SJORKVTESA-N 1 1 272.392 3.268 20 30 CGEDMO Cc1cnn([C@@H]2CC[N@H+]([C@H](C)c3ccc(C#N)cc3)C2)c1 ZINC000290030017 392439945 /nfs/dbraw/zinc/43/99/45/392439945.db2.gz VSPWCIQHOKJTNU-RHSMWYFYSA-N 1 1 280.375 3.071 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCOC(C)(C)C1 ZINC000291621907 392471249 /nfs/dbraw/zinc/47/12/49/392471249.db2.gz RSNCUCREGBKAJD-GFCCVEGCSA-N 1 1 278.421 3.399 20 30 CGEDMO CC[C@@]1(C)C[N@H+]([C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000135690447 392476680 /nfs/dbraw/zinc/47/66/80/392476680.db2.gz CUJPONNHAJSFOM-BBRMVZONSA-N 1 1 258.365 3.120 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)cc1 ZINC000292697836 392510110 /nfs/dbraw/zinc/51/01/10/392510110.db2.gz BZTGJFHRFHZUMX-LSDHHAIUSA-N 1 1 261.315 3.145 20 30 CGEDMO C#CC[C@H]([NH2+][C@@H](C)c1nccn1CC)c1ccccc1 ZINC000296633906 392562065 /nfs/dbraw/zinc/56/20/65/392562065.db2.gz CJWHTSGPYAGAPE-HOCLYGCPSA-N 1 1 267.376 3.318 20 30 CGEDMO CC(C)[C@H](C)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000298459004 392575876 /nfs/dbraw/zinc/57/58/76/392575876.db2.gz KSCJRQUMVGFLQF-NSHDSACASA-N 1 1 293.798 3.126 20 30 CGEDMO Clc1ccc(C#CC[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000374410278 392678010 /nfs/dbraw/zinc/67/80/10/392678010.db2.gz GTALLMVMSOSWQV-JKSUJKDBSA-N 1 1 289.806 3.050 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000178654188 392684195 /nfs/dbraw/zinc/68/41/95/392684195.db2.gz GWWBZFSOEAOMBY-NSHDSACASA-N 1 1 299.305 3.456 20 30 CGEDMO CCC[N@@H+](C)C[C@@H]1CCN([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000174966510 392647522 /nfs/dbraw/zinc/64/75/22/392647522.db2.gz QAWNPIAHDHKHSF-RDJZCZTQSA-N 1 1 285.435 3.283 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000181324201 392728154 /nfs/dbraw/zinc/72/81/54/392728154.db2.gz DQORXRPIMOGYKM-CQSZACIVSA-N 1 1 287.325 3.117 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182848049 392749181 /nfs/dbraw/zinc/74/91/81/392749181.db2.gz QPYWYSVZAGBHMN-JTQLQIEISA-N 1 1 293.720 3.291 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000182848049 392749186 /nfs/dbraw/zinc/74/91/86/392749186.db2.gz QPYWYSVZAGBHMN-JTQLQIEISA-N 1 1 293.720 3.291 20 30 CGEDMO Cc1cc([C@H](C)[NH2+]C[C@@H](C#N)CCC#N)c(C)s1 ZINC000179371863 392700458 /nfs/dbraw/zinc/70/04/58/392700458.db2.gz WNPWRPAJDBJOID-WCQYABFASA-N 1 1 261.394 3.459 20 30 CGEDMO COc1ccc2c(c1)C[N@H+](Cc1ccc(C#N)cc1C)CC2 ZINC000186175925 392778994 /nfs/dbraw/zinc/77/89/94/392778994.db2.gz XKRGBUBWOZHGDC-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1ccnn1CC(C)C ZINC000648022098 392874137 /nfs/dbraw/zinc/87/41/37/392874137.db2.gz YRLJZGXHONMGLR-UHFFFAOYSA-N 1 1 287.407 3.363 20 30 CGEDMO N#Cc1ccc(C[N@@H+](C[C@H]2CCC=CO2)C2CC2)cc1 ZINC000193682331 392882689 /nfs/dbraw/zinc/88/26/89/392882689.db2.gz DEHVUNQECMGBFH-QGZVFWFLSA-N 1 1 268.360 3.215 20 30 CGEDMO CC(C)OCCC[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000382799188 392921317 /nfs/dbraw/zinc/92/13/17/392921317.db2.gz QNAXMDOBUDOALK-UHFFFAOYSA-N 1 1 280.799 3.459 20 30 CGEDMO Cc1cccc(C[N@H+](CCOCCC#N)CC(C)C)c1 ZINC000338939625 392936068 /nfs/dbraw/zinc/93/60/68/392936068.db2.gz MREYFEBBIDWCHW-UHFFFAOYSA-N 1 1 274.408 3.383 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000513241723 542730825 /nfs/dbraw/zinc/73/08/25/542730825.db2.gz KZSWESLQPGXSJH-XIRDDKMYSA-N 1 1 259.393 3.397 20 30 CGEDMO N#CCCOCC[N@H+]1CCC[C@H]1CCCc1ccccc1 ZINC000339022247 392941617 /nfs/dbraw/zinc/94/16/17/392941617.db2.gz DFFKJQUMUUKVRH-GOSISDBHSA-N 1 1 286.419 3.404 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)CCC1(OC)CCC1 ZINC000339079068 392946100 /nfs/dbraw/zinc/94/61/00/392946100.db2.gz VWCMVSHIVVWKIH-UHFFFAOYSA-N 1 1 263.381 3.269 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C(=O)N(CC)CC)c1ccccc1 ZINC000215621906 392986709 /nfs/dbraw/zinc/98/67/09/392986709.db2.gz NLYAERWRBWMJCB-QGZVFWFLSA-N 1 1 288.435 3.494 20 30 CGEDMO N#CCC[NH2+][C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000411778096 392989145 /nfs/dbraw/zinc/98/91/45/392989145.db2.gz ASYALGVCFJJKAH-CYBMUJFWSA-N 1 1 252.720 3.433 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000411879680 392990615 /nfs/dbraw/zinc/99/06/15/392990615.db2.gz URJNZFGUNHITTK-SFHVURJKSA-N 1 1 298.430 3.489 20 30 CGEDMO N#CC1(C[N@H+](Cc2ccccc2)CC2CCOCC2)CC1 ZINC000343319023 393026642 /nfs/dbraw/zinc/02/66/42/393026642.db2.gz IBEYWSMWSBXSII-UHFFFAOYSA-N 1 1 284.403 3.219 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cc2cc(Cl)cnc2o1 ZINC000648555010 393102553 /nfs/dbraw/zinc/10/25/53/393102553.db2.gz LKWYGQNCURACBO-UHFFFAOYSA-N 1 1 280.755 3.116 20 30 CGEDMO N#CC1(F)CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000348701174 393127590 /nfs/dbraw/zinc/12/75/90/393127590.db2.gz CISPJPUAJUGAAJ-OWOJBTEDSA-N 1 1 262.303 3.167 20 30 CGEDMO CCc1cccc(F)c1C[NH+]1CCC(F)(C#N)CC1 ZINC000348719238 393129268 /nfs/dbraw/zinc/12/92/68/393129268.db2.gz ZOJUAMAIVKKLAK-UHFFFAOYSA-N 1 1 264.319 3.216 20 30 CGEDMO CC(C)(C)[C@@H]1CCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000353441116 393223011 /nfs/dbraw/zinc/22/30/11/393223011.db2.gz AGHKTRLNFGQGKE-HNNXBMFYSA-N 1 1 282.391 3.216 20 30 CGEDMO C=CCOc1ccc(CN[C@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000353935660 393234987 /nfs/dbraw/zinc/23/49/87/393234987.db2.gz XOQDWQNTYDVFEZ-QAPCUYQASA-N 1 1 288.435 3.071 20 30 CGEDMO C=CCOc1ccc(CN[C@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000353935660 393234993 /nfs/dbraw/zinc/23/49/93/393234993.db2.gz XOQDWQNTYDVFEZ-QAPCUYQASA-N 1 1 288.435 3.071 20 30 CGEDMO C=CCOc1ccc(C[NH2+][C@H]2CCN(CC)C[C@H]2C)cc1 ZINC000353935660 393234999 /nfs/dbraw/zinc/23/49/99/393234999.db2.gz XOQDWQNTYDVFEZ-QAPCUYQASA-N 1 1 288.435 3.071 20 30 CGEDMO C[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1ccc(C#N)cc1 ZINC000271889106 393255492 /nfs/dbraw/zinc/25/54/92/393255492.db2.gz RLLSYMDUVIJZBM-XHDPSFHLSA-N 1 1 266.348 3.010 20 30 CGEDMO CCC[C@@H]1[C@H](C)CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000356123734 393359146 /nfs/dbraw/zinc/35/91/46/393359146.db2.gz ODICXXOULPGKAK-DGCLKSJQSA-N 1 1 263.410 3.415 20 30 CGEDMO COc1cc(C[N@H+]2CC(C)(C)[C@@H]2C2CC2)ccc1C#N ZINC000356280622 393406041 /nfs/dbraw/zinc/40/60/41/393406041.db2.gz KTCXDVJUZYSIOD-INIZCTEOSA-N 1 1 270.376 3.187 20 30 CGEDMO C=CCC1(C(=O)N2CC[N@@H+](CC)[C@@H](C)C2)CCCCC1 ZINC000649226063 393376867 /nfs/dbraw/zinc/37/68/67/393376867.db2.gz IYBZGSNWRBLKGV-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC1(C(=O)N2CC[N@H+](CC)[C@@H](C)C2)CCCCC1 ZINC000649226063 393376877 /nfs/dbraw/zinc/37/68/77/393376877.db2.gz IYBZGSNWRBLKGV-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C[C@H](C1CCCCC1)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356307782 393416926 /nfs/dbraw/zinc/41/69/26/393416926.db2.gz SNEUHISILZFKHO-LLVKDONJSA-N 1 1 263.410 3.415 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2nc(C#N)cs2)[C@@H]2CCCC[C@H]21 ZINC000356420506 393440587 /nfs/dbraw/zinc/44/05/87/393440587.db2.gz SGAGVKNUBHHREB-KGYLQXTDSA-N 1 1 261.394 3.025 20 30 CGEDMO CCN1CC[C@H]([N@H+](C)Cc2ccc(C#N)c(C)c2)[C@H](C)C1 ZINC000488119319 393460612 /nfs/dbraw/zinc/46/06/12/393460612.db2.gz SMBYJYUHGYVYNY-QAPCUYQASA-N 1 1 285.435 3.029 20 30 CGEDMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(C#N)c(C)c2)[C@H](C)C1 ZINC000488119319 393460616 /nfs/dbraw/zinc/46/06/16/393460616.db2.gz SMBYJYUHGYVYNY-QAPCUYQASA-N 1 1 285.435 3.029 20 30 CGEDMO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(C#N)c(C)c2)[C@H](C)C1 ZINC000488119319 393460619 /nfs/dbraw/zinc/46/06/19/393460619.db2.gz SMBYJYUHGYVYNY-QAPCUYQASA-N 1 1 285.435 3.029 20 30 CGEDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(C#N)c(C)c2)[C@H](C)C1 ZINC000488119319 393460621 /nfs/dbraw/zinc/46/06/21/393460621.db2.gz SMBYJYUHGYVYNY-QAPCUYQASA-N 1 1 285.435 3.029 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000649392606 393410415 /nfs/dbraw/zinc/41/04/15/393410415.db2.gz WBBUHHJEWDULLY-UHFFFAOYSA-N 1 1 275.318 3.227 20 30 CGEDMO C[C@@H]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000429575665 393485885 /nfs/dbraw/zinc/48/58/85/393485885.db2.gz AECDFECQTNPGKI-CJNGLKHVSA-N 1 1 285.391 3.007 20 30 CGEDMO C=CCCCC[NH2+]C1(c2noc(C(F)F)n2)CCC1 ZINC000649638635 393520884 /nfs/dbraw/zinc/52/08/84/393520884.db2.gz AUGUIDMXALDMLD-UHFFFAOYSA-N 1 1 271.311 3.332 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H](CCO)CC1 ZINC000421019712 393579321 /nfs/dbraw/zinc/57/93/21/393579321.db2.gz QDRQFNWXEHKKCZ-ZDUSSCGKSA-N 1 1 292.810 3.196 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421019712 393579325 /nfs/dbraw/zinc/57/93/25/393579325.db2.gz QDRQFNWXEHKKCZ-ZDUSSCGKSA-N 1 1 292.810 3.196 20 30 CGEDMO C[C@H](Cc1[nH]cc[nH+]1)OCC#Cc1ccccc1Cl ZINC000360946854 393621924 /nfs/dbraw/zinc/62/19/24/393621924.db2.gz QBDFIEHBLIJZSF-GFCCVEGCSA-N 1 1 274.751 3.062 20 30 CGEDMO C[C@H]([NH2+][C@@H](CN)C1CCCCC1)c1ccc(C#N)cc1 ZINC000423260950 393656094 /nfs/dbraw/zinc/65/60/94/393656094.db2.gz IWIWQDNDOJQSFU-GUYCJALGSA-N 1 1 271.408 3.116 20 30 CGEDMO Cc1cc(C[N@H+]2CC(C)(C)O[C@@H]3CCC[C@H]32)ccc1C#N ZINC000440960675 393735331 /nfs/dbraw/zinc/73/53/31/393735331.db2.gz RUJVUEUOHGLRPD-IAGOWNOFSA-N 1 1 284.403 3.399 20 30 CGEDMO Cc1cc(C[N@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)ccc1C#N ZINC000449539583 393889448 /nfs/dbraw/zinc/88/94/48/393889448.db2.gz LWBDJDQGLPSOBD-ZWKOTPCHSA-N 1 1 266.388 3.487 20 30 CGEDMO Cc1cc(C#N)cc(NC(=O)c2sccc2C[NH+](C)C)c1 ZINC000456961073 394301569 /nfs/dbraw/zinc/30/15/69/394301569.db2.gz HTHRIAYDBPCVPT-UHFFFAOYSA-N 1 1 299.399 3.242 20 30 CGEDMO C=CC[N@H+](Cc1ccnn1CC1CC1)Cc1ccccc1 ZINC000667517850 542883634 /nfs/dbraw/zinc/88/36/34/542883634.db2.gz HMRFYWALYNKVQU-UHFFFAOYSA-N 1 1 281.403 3.481 20 30 CGEDMO C=CC[N@@H+](Cc1ccnn1CC1CC1)Cc1ccccc1 ZINC000667517850 542883636 /nfs/dbraw/zinc/88/36/36/542883636.db2.gz HMRFYWALYNKVQU-UHFFFAOYSA-N 1 1 281.403 3.481 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCO[C@](C)(C3CC3)C2)cc1 ZINC000668462934 543015402 /nfs/dbraw/zinc/01/54/02/543015402.db2.gz KXCBDAUREFAZKM-SFHVURJKSA-N 1 1 287.403 3.252 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2nn(C)c3ccccc23)C1 ZINC000668493629 543020094 /nfs/dbraw/zinc/02/00/94/543020094.db2.gz PXWIUMBCSHRTJF-AWEZNQCLSA-N 1 1 269.392 3.361 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](C)CC2=CCSC2)c1 ZINC000668775452 543059980 /nfs/dbraw/zinc/05/99/80/543059980.db2.gz KLLFSLHUOIRQLN-UHFFFAOYSA-N 1 1 275.417 3.356 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CCC[C@H](Oc2ccccc2OC)C1 ZINC000671732552 543183180 /nfs/dbraw/zinc/18/31/80/543183180.db2.gz OZZUYEDJTATAMQ-CVEARBPZSA-N 1 1 287.403 3.340 20 30 CGEDMO C=CCC[C@H](N[C@H]1CC[N@H+](CC2CC2)C1)c1ccco1 ZINC000671746814 543184891 /nfs/dbraw/zinc/18/48/91/543184891.db2.gz MDXURZIMMPHIJU-HOTGVXAUSA-N 1 1 274.408 3.361 20 30 CGEDMO C=CCC[C@H](N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccco1 ZINC000671746814 543184895 /nfs/dbraw/zinc/18/48/95/543184895.db2.gz MDXURZIMMPHIJU-HOTGVXAUSA-N 1 1 274.408 3.361 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000397799260 397698185 /nfs/dbraw/zinc/69/81/85/397698185.db2.gz FPBKXCNOFGSOBB-CQSZACIVSA-N 1 1 265.360 3.360 20 30 CGEDMO CC(C)C[C@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)[NH+](C)C ZINC000537408738 397711695 /nfs/dbraw/zinc/71/16/95/397711695.db2.gz LKIQFMSNBKYHSP-XJKSGUPXSA-N 1 1 291.414 3.324 20 30 CGEDMO CC[N@@H+](CC#Cc1ccc(F)cc1)CCC(F)(F)F ZINC000676557772 543405064 /nfs/dbraw/zinc/40/50/64/543405064.db2.gz VAGIQZPHCOIQFZ-UHFFFAOYSA-N 1 1 273.273 3.452 20 30 CGEDMO CC[N@H+](CC#Cc1ccc(F)cc1)CCC(F)(F)F ZINC000676557772 543405068 /nfs/dbraw/zinc/40/50/68/543405068.db2.gz VAGIQZPHCOIQFZ-UHFFFAOYSA-N 1 1 273.273 3.452 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+]1CC[C@H](c2ccccc2)[C@@H](CC)C1 ZINC000677048526 543427609 /nfs/dbraw/zinc/42/76/09/543427609.db2.gz ZZSXHRFVUSDPOX-SZMVWBNQSA-N 1 1 273.420 3.439 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000677047482 543427997 /nfs/dbraw/zinc/42/79/97/543427997.db2.gz BYSXPYOBXCLRGU-HOCLYGCPSA-N 1 1 277.433 3.038 20 30 CGEDMO CC[C@H]1C[N@@H+](CC#CCOC)CC[C@@H]1c1ccccc1 ZINC000677133037 543435436 /nfs/dbraw/zinc/43/54/36/543435436.db2.gz DUBYOPKPXQPKNZ-WMZOPIPTSA-N 1 1 271.404 3.152 20 30 CGEDMO COCC#CC[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000677479519 543451121 /nfs/dbraw/zinc/45/11/21/543451121.db2.gz OCHHMVLZDULXAW-SNVBAGLBSA-N 1 1 272.175 3.294 20 30 CGEDMO COCC#CC[N@@H+](C)[C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000677820540 543468336 /nfs/dbraw/zinc/46/83/36/543468336.db2.gz QKFZISSTMPLPET-ZIAGYGMSSA-N 1 1 279.811 3.414 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+](CC)Cc1ccc(Cl)s1 ZINC000677950931 543474234 /nfs/dbraw/zinc/47/42/34/543474234.db2.gz FOKHRLVZFRQRRZ-NSHDSACASA-N 1 1 259.802 3.160 20 30 CGEDMO N#Cc1cccc(C[NH2+]Cc2ccn(C3CCCC3)n2)c1 ZINC000069992814 165052719 /nfs/dbraw/zinc/05/27/19/165052719.db2.gz GCQSVGRHMAZPHR-UHFFFAOYSA-N 1 1 280.375 3.160 20 30 CGEDMO C[C@@H]1CCCCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000070409533 165057219 /nfs/dbraw/zinc/05/72/19/165057219.db2.gz HIHLSAIAWLLLFU-CQSZACIVSA-N 1 1 285.391 3.151 20 30 CGEDMO C[C@@H]1CCCCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000070409597 165062095 /nfs/dbraw/zinc/06/20/95/165062095.db2.gz RDSLKRXGZSDWRN-CQSZACIVSA-N 1 1 285.391 3.151 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+](C)[C@@H](C)c1ccncc1 ZINC000091988933 165278859 /nfs/dbraw/zinc/27/88/59/165278859.db2.gz DIBSKYMDCGRYEU-ZDUSSCGKSA-N 1 1 281.359 3.155 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000091988933 165278861 /nfs/dbraw/zinc/27/88/61/165278861.db2.gz DIBSKYMDCGRYEU-ZDUSSCGKSA-N 1 1 281.359 3.155 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)o1 ZINC000093684056 165334773 /nfs/dbraw/zinc/33/47/73/165334773.db2.gz MCRBCFFCAMEQCD-MRXNPFEDSA-N 1 1 296.370 3.190 20 30 CGEDMO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000007586871 170292022 /nfs/dbraw/zinc/29/20/22/170292022.db2.gz ARDDCQJZQJOFCB-RDJZCZTQSA-N 1 1 297.402 3.151 20 30 CGEDMO C[N@H+](Cc1cccc(F)c1)Cc1cc(C#N)ccc1F ZINC000020266598 171123590 /nfs/dbraw/zinc/12/35/90/171123590.db2.gz ZSSZQUJVTIGUAU-UHFFFAOYSA-N 1 1 272.298 3.468 20 30 CGEDMO C[N@@H+](Cc1cccc(F)c1)Cc1cc(C#N)ccc1F ZINC000020266598 171123592 /nfs/dbraw/zinc/12/35/92/171123592.db2.gz ZSSZQUJVTIGUAU-UHFFFAOYSA-N 1 1 272.298 3.468 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000071814626 176268929 /nfs/dbraw/zinc/26/89/29/176268929.db2.gz MCLWOCQNHMFYPU-AWEZNQCLSA-N 1 1 292.398 3.243 20 30 CGEDMO CC1(C)CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000077382456 177261185 /nfs/dbraw/zinc/26/11/85/177261185.db2.gz LSNXZPDRGFMOJY-UHFFFAOYSA-N 1 1 291.782 3.025 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000078662420 177367659 /nfs/dbraw/zinc/36/76/59/177367659.db2.gz KXZZSMTWTNVPPJ-UHFFFAOYSA-N 1 1 291.420 3.073 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000078662420 177367660 /nfs/dbraw/zinc/36/76/60/177367660.db2.gz KXZZSMTWTNVPPJ-UHFFFAOYSA-N 1 1 291.420 3.073 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1nc2c(s1)CCC2 ZINC000679364419 543630214 /nfs/dbraw/zinc/63/02/14/543630214.db2.gz DETKSEFJHBJHDK-UHFFFAOYSA-N 1 1 288.416 3.456 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1nc2c(s1)CCC2 ZINC000679364419 543630216 /nfs/dbraw/zinc/63/02/16/543630216.db2.gz DETKSEFJHBJHDK-UHFFFAOYSA-N 1 1 288.416 3.456 20 30 CGEDMO N#CC1(CC[N@@H+]2CC[C@@H](O)C23CCCC3)CCCCC1 ZINC000334645892 225250709 /nfs/dbraw/zinc/25/07/09/225250709.db2.gz QDICVCQKGBIPCA-OAHLLOKOSA-N 1 1 276.424 3.230 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)NC2CC2)cc1 ZINC000683843389 543948626 /nfs/dbraw/zinc/94/86/26/543948626.db2.gz AZMBUUZPGBJRMR-QGZVFWFLSA-N 1 1 284.403 3.119 20 30 CGEDMO CCn1cncc1C[NH2+][C@H](CCC#N)c1ccccc1 ZINC000417942025 227247574 /nfs/dbraw/zinc/24/75/74/227247574.db2.gz BCCAQPDZJDBSLU-MRXNPFEDSA-N 1 1 268.364 3.038 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O ZINC000659821719 418999628 /nfs/dbraw/zinc/99/96/28/418999628.db2.gz FCHFDHGUZMSEIV-OKZBNKHCSA-N 1 1 298.430 3.122 20 30 CGEDMO C=C(CC)C[N@@H+](Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC000653767680 419082166 /nfs/dbraw/zinc/08/21/66/419082166.db2.gz CGFXLGNVOLQKOJ-QAQDUYKDSA-N 1 1 289.419 3.464 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cc(F)ccc1OC(F)F ZINC000660220476 419104470 /nfs/dbraw/zinc/10/44/70/419104470.db2.gz JALNFLZISZDZHV-UHFFFAOYSA-N 1 1 259.271 3.435 20 30 CGEDMO C=CCCn1cc(C[NH+]2CCC(C)(C(C)C)CC2)nn1 ZINC000653624555 419062632 /nfs/dbraw/zinc/06/26/32/419062632.db2.gz YECBYULDKFMOGB-UHFFFAOYSA-N 1 1 276.428 3.112 20 30 CGEDMO C=CCCn1cc(C[N@H+](C)[C@H](C)C2CCCCC2)nn1 ZINC000653663901 419067612 /nfs/dbraw/zinc/06/76/12/419067612.db2.gz VOHLETPHYNEWJG-CQSZACIVSA-N 1 1 276.428 3.255 20 30 CGEDMO C=CCN1CC[C@@H]([N@H+](C)Cc2cccc(C(C)C)c2)C1=O ZINC000660463376 419148644 /nfs/dbraw/zinc/14/86/44/419148644.db2.gz BTJJDIMSKVXTQE-QGZVFWFLSA-N 1 1 286.419 3.029 20 30 CGEDMO C=CC[N@H+](CCc1c(F)cccc1F)[C@H](C)COC ZINC000661239461 419243381 /nfs/dbraw/zinc/24/33/81/419243381.db2.gz MLXOXVLCDPTNCN-GFCCVEGCSA-N 1 1 269.335 3.030 20 30 CGEDMO C=CC[N@H+](CCCCC1CCOCC1)[C@@H](C)COC ZINC000661239340 419243688 /nfs/dbraw/zinc/24/36/88/419243688.db2.gz FXAWZAUMECUGSW-HNNXBMFYSA-N 1 1 269.429 3.106 20 30 CGEDMO CC(=O)c1cccc(C[N@@H+]2CCC[C@H](CC#N)C2)c1 ZINC000661155308 419235598 /nfs/dbraw/zinc/23/55/98/419235598.db2.gz UEZZJBHJFWJYBL-CQSZACIVSA-N 1 1 256.349 3.015 20 30 CGEDMO CC(=O)c1cccc(C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000661155308 419235599 /nfs/dbraw/zinc/23/55/99/419235599.db2.gz UEZZJBHJFWJYBL-CQSZACIVSA-N 1 1 256.349 3.015 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000661658519 419283457 /nfs/dbraw/zinc/28/34/57/419283457.db2.gz DJMAQWUYNLVWID-OAHLLOKOSA-N 1 1 279.355 3.174 20 30 CGEDMO C=CC[N@H+](CC(=O)N1[C@@H](C)CCC[C@@H]1C)C(C)(C)C ZINC000661755920 419295393 /nfs/dbraw/zinc/29/53/93/419295393.db2.gz VFMJDXRYKARFNS-KBPBESRZSA-N 1 1 266.429 3.062 20 30 CGEDMO C[C@H](C1CC1)n1cc(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)cn1 ZINC000330217660 228069478 /nfs/dbraw/zinc/06/94/78/228069478.db2.gz IQGAQRQOMOSRBF-IAQYHMDHSA-N 1 1 288.395 3.069 20 30 CGEDMO C[C@H](C1CC1)n1cc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)cn1 ZINC000330217660 228069479 /nfs/dbraw/zinc/06/94/79/228069479.db2.gz IQGAQRQOMOSRBF-IAQYHMDHSA-N 1 1 288.395 3.069 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000662081547 419333564 /nfs/dbraw/zinc/33/35/64/419333564.db2.gz USWJNHLUVWGVRB-LUKYLMHMSA-N 1 1 290.451 3.349 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1cc(F)cc(F)c1 ZINC000662079311 419333817 /nfs/dbraw/zinc/33/38/17/419333817.db2.gz JRLXKOFGAFKYAF-GASCZTMLSA-N 1 1 292.329 3.086 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN(C)Cc1ccccc1 ZINC000662089505 419334236 /nfs/dbraw/zinc/33/42/36/419334236.db2.gz BELPWPNOVYOOPO-HDICACEKSA-N 1 1 270.420 3.301 20 30 CGEDMO N#CCC[N@@H+](Cc1ccc2c(c1)OC(F)(F)O2)CC1CC1 ZINC000352028930 228176306 /nfs/dbraw/zinc/17/63/06/228176306.db2.gz QPLNJFIQKASXJA-UHFFFAOYSA-N 1 1 294.301 3.134 20 30 CGEDMO N#CCC[N@H+](Cc1ccc2c(c1)OC(F)(F)O2)CC1CC1 ZINC000352028930 228176307 /nfs/dbraw/zinc/17/63/07/228176307.db2.gz QPLNJFIQKASXJA-UHFFFAOYSA-N 1 1 294.301 3.134 20 30 CGEDMO C=CCCCCC[N@@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662228312 419366975 /nfs/dbraw/zinc/36/69/75/419366975.db2.gz XPXBAWMNDSPIOZ-GFCCVEGCSA-N 1 1 265.319 3.386 20 30 CGEDMO C=CCCCCC[N@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000662228312 419366978 /nfs/dbraw/zinc/36/69/78/419366978.db2.gz XPXBAWMNDSPIOZ-GFCCVEGCSA-N 1 1 265.319 3.386 20 30 CGEDMO C=CCC[C@H](CO)Nc1cc(C(F)(F)F)cc(C)[nH+]1 ZINC000663991072 419788061 /nfs/dbraw/zinc/78/80/61/419788061.db2.gz MUBWWZGXAFTYHS-LLVKDONJSA-N 1 1 274.286 3.148 20 30 CGEDMO C=CC[C@@H]1CCCN(c2cc[nH+]c(N3CCCCC3)n2)C1 ZINC000664252682 419868089 /nfs/dbraw/zinc/86/80/89/419868089.db2.gz BBQDERIMHSEPEN-OAHLLOKOSA-N 1 1 286.423 3.259 20 30 CGEDMO C=CC[N@@H+](Cc1cc(COC)on1)CC1CCCCC1 ZINC000297860951 260136428 /nfs/dbraw/zinc/13/64/28/260136428.db2.gz PCXFIKKMICNBEG-UHFFFAOYSA-N 1 1 278.396 3.389 20 30 CGEDMO C=CC[N@H+](Cc1cc(COC)on1)CC1CCCCC1 ZINC000297860951 260136430 /nfs/dbraw/zinc/13/64/30/260136430.db2.gz PCXFIKKMICNBEG-UHFFFAOYSA-N 1 1 278.396 3.389 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000054182031 260216582 /nfs/dbraw/zinc/21/65/82/260216582.db2.gz KRFHOFKNNQDOLD-GFCCVEGCSA-N 1 1 256.271 3.487 20 30 CGEDMO C=CCN(CCOC)c1cc(C)[nH+]c2c(OC)cccc12 ZINC000357675930 260276490 /nfs/dbraw/zinc/27/64/90/260276490.db2.gz SGYNBISNFXMODP-UHFFFAOYSA-N 1 1 286.375 3.191 20 30 CGEDMO C[C@@H]1C[C@@H](Nc2cccc(OCCCC#N)c2)CC[N@H+]1C ZINC000127967364 260371144 /nfs/dbraw/zinc/37/11/44/260371144.db2.gz FUZKUOCAYYOSFU-ZBFHGGJFSA-N 1 1 287.407 3.264 20 30 CGEDMO N#CCSCCC[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000173900295 261173207 /nfs/dbraw/zinc/17/32/07/261173207.db2.gz DHIOAMVHJSONGL-OAHLLOKOSA-N 1 1 282.453 3.057 20 30 CGEDMO N#CCC[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000160308683 261314335 /nfs/dbraw/zinc/31/43/35/261314335.db2.gz HEMYVUALXFQGBN-UHFFFAOYSA-N 1 1 290.164 3.001 20 30 CGEDMO C=CCOc1ccc(C[NH2+][C@@H](CC)CC#N)cc1OC ZINC000184091875 262008475 /nfs/dbraw/zinc/00/84/75/262008475.db2.gz CVYBBGQUVYCHOJ-AWEZNQCLSA-N 1 1 274.364 3.042 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(SC)c(OC)c1 ZINC000184093154 262008987 /nfs/dbraw/zinc/00/89/87/262008987.db2.gz XQPXDJXEGMWIPP-LBPRGKRZSA-N 1 1 264.394 3.199 20 30 CGEDMO CCCCCCC[N@@H+]1CCOC[C@@H]1c1c(C)n[nH]c1C ZINC000368574218 262080145 /nfs/dbraw/zinc/08/01/45/262080145.db2.gz ABDMJLINYRGZKY-OAHLLOKOSA-N 1 1 279.428 3.370 20 30 CGEDMO CCCCCCC[N@H+]1CCOC[C@@H]1c1c(C)n[nH]c1C ZINC000368574218 262080148 /nfs/dbraw/zinc/08/01/48/262080148.db2.gz ABDMJLINYRGZKY-OAHLLOKOSA-N 1 1 279.428 3.370 20 30 CGEDMO C[N@@H+](CCCSCC#N)CC1(c2ccccc2)CC1 ZINC000189317981 262170604 /nfs/dbraw/zinc/17/06/04/262170604.db2.gz MLTMGHLHGXATSY-UHFFFAOYSA-N 1 1 274.433 3.297 20 30 CGEDMO N#C[C@H]1CCC[C@@H]([NH2+]Cc2ncc(-c3ccccc3)cn2)C1 ZINC000193289516 262219397 /nfs/dbraw/zinc/21/93/97/262219397.db2.gz AXXUUQYMPLAFFP-WMLDXEAASA-N 1 1 292.386 3.316 20 30 CGEDMO C[C@H]([NH2+]CCC#N)c1ccc(Br)cc1 ZINC000020199514 262232749 /nfs/dbraw/zinc/23/27/49/262232749.db2.gz WVYJXFSDNOBELR-VIFPVBQESA-N 1 1 253.143 3.013 20 30 CGEDMO CC[C@H]1[C@@H](C)CC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000337214899 262436028 /nfs/dbraw/zinc/43/60/28/262436028.db2.gz XWSHJPGCPYYIEA-GJZGRUSLSA-N 1 1 264.413 3.207 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccc(SC)s1 ZINC000356390343 262642957 /nfs/dbraw/zinc/64/29/57/262642957.db2.gz IKUPCAGDGCDYQD-UHFFFAOYSA-N 1 1 257.424 3.104 20 30 CGEDMO COC(=O)CCC[N@@H+](CCCCC#N)Cc1ccccc1 ZINC000269100457 262965530 /nfs/dbraw/zinc/96/55/30/262965530.db2.gz RPWOJCDNGAPRRM-UHFFFAOYSA-N 1 1 288.391 3.136 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000276081693 263034777 /nfs/dbraw/zinc/03/47/77/263034777.db2.gz AXLFDRUJJDGAAS-UHFFFAOYSA-N 1 1 299.418 3.058 20 30 CGEDMO N#CCOc1ccc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)cc1 ZINC000278939116 263051956 /nfs/dbraw/zinc/05/19/56/263051956.db2.gz XXSSJFLUCJFSQE-ZDUSSCGKSA-N 1 1 298.308 3.363 20 30 CGEDMO COCc1ccc([C@@H]2CCC[N@H+]2[C@@H]2CC[C@H](C#N)C2)o1 ZINC000280996167 263065672 /nfs/dbraw/zinc/06/56/72/263065672.db2.gz MFLQZJHVYSORSO-GUTXKFCHSA-N 1 1 274.364 3.255 20 30 CGEDMO N#C[C@@H]1CCC[C@H]([NH2+]Cc2c(F)cc(F)c(F)c2F)C1 ZINC000281266999 263067874 /nfs/dbraw/zinc/06/78/74/263067874.db2.gz YIXWBILVAZQKLK-BDAKNGLRSA-N 1 1 286.272 3.415 20 30 CGEDMO COc1ccc(Cl)cc1C[N@@H+](C)[C@@H]1CC[C@@H](C#N)C1 ZINC000284316333 263086499 /nfs/dbraw/zinc/08/64/99/263086499.db2.gz PMSZSDQQPPTTDY-BXUZGUMPSA-N 1 1 278.783 3.473 20 30 CGEDMO COc1ccc(Cl)cc1C[N@@H+](C)[C@H]1CC[C@@H](C#N)C1 ZINC000284318297 263086549 /nfs/dbraw/zinc/08/65/49/263086549.db2.gz PMSZSDQQPPTTDY-RISCZKNCSA-N 1 1 278.783 3.473 20 30 CGEDMO CCOC1CC(CO[NH+]=C(N)CCCc2ccccc2)C1 ZINC000284986731 263088831 /nfs/dbraw/zinc/08/88/31/263088831.db2.gz CDHKLAAWLJBMTF-UHFFFAOYSA-N 1 1 290.407 3.113 20 30 CGEDMO CC(C)[C@@H](c1ccccc1)[N@@H+](C)CCOCCC#N ZINC000293078831 263137645 /nfs/dbraw/zinc/13/76/45/263137645.db2.gz MISDHPZRSCHRCO-INIZCTEOSA-N 1 1 260.381 3.246 20 30 CGEDMO COc1ccc2cc(C[N@@H+](C)CCOCCC#N)ccc2c1 ZINC000293402114 263139890 /nfs/dbraw/zinc/13/98/90/263139890.db2.gz HNLQLUQGDPRBHV-UHFFFAOYSA-N 1 1 298.386 3.210 20 30 CGEDMO CC1(C)C[N@@H+](CCOCCC#N)[C@H]1c1cccs1 ZINC000293518050 263142499 /nfs/dbraw/zinc/14/24/99/263142499.db2.gz IKQXPKKTXQOOKE-ZDUSSCGKSA-N 1 1 264.394 3.061 20 30 CGEDMO C[C@@H]1CC[C@H](c2ccccc2)[N@@H+](CCOCCC#N)C1 ZINC000293726479 263148104 /nfs/dbraw/zinc/14/81/04/263148104.db2.gz YWWXUWRKBCBBDC-NVXWUHKLSA-N 1 1 272.392 3.390 20 30 CGEDMO CC[N@H+](CC(=O)Nc1c(C)cccc1C)[C@H]1CC[C@H](C#N)C1 ZINC000293906484 263152083 /nfs/dbraw/zinc/15/20/83/263152083.db2.gz WNRUSIJTGQEHTP-HOTGVXAUSA-N 1 1 299.418 3.256 20 30 CGEDMO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)[C@H]1CC[C@H](C#N)C1 ZINC000293906484 263152084 /nfs/dbraw/zinc/15/20/84/263152084.db2.gz WNRUSIJTGQEHTP-HOTGVXAUSA-N 1 1 299.418 3.256 20 30 CGEDMO COc1c(C)cnc(C[N@@H+](C)CCC(C)(C)C#N)c1C ZINC000295076761 263172059 /nfs/dbraw/zinc/17/20/59/263172059.db2.gz DBDXMXRHNHAPNW-UHFFFAOYSA-N 1 1 275.396 3.079 20 30 CGEDMO COc1c(C)c[nH+]c(CN(C)CCC(C)(C)C#N)c1C ZINC000295076761 263172062 /nfs/dbraw/zinc/17/20/62/263172062.db2.gz DBDXMXRHNHAPNW-UHFFFAOYSA-N 1 1 275.396 3.079 20 30 CGEDMO CC[N@@H+](Cc1ccc(OC)cc1OC)[C@H]1CC[C@H](C#N)C1 ZINC000298027857 263214088 /nfs/dbraw/zinc/21/40/88/263214088.db2.gz FBUUGIGERABNBP-ZFWWWQNUSA-N 1 1 288.391 3.218 20 30 CGEDMO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000298687396 263224101 /nfs/dbraw/zinc/22/41/01/263224101.db2.gz ABLJYAKDYKZCKW-TZMCWYRMSA-N 1 1 259.378 3.329 20 30 CGEDMO N#CCC[C@H](C#N)C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000298687396 263224102 /nfs/dbraw/zinc/22/41/02/263224102.db2.gz ABLJYAKDYKZCKW-TZMCWYRMSA-N 1 1 259.378 3.329 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000299186509 263234279 /nfs/dbraw/zinc/23/42/79/263234279.db2.gz AMTNSHPHHQSLAJ-CHWSQXEVSA-N 1 1 278.783 3.485 20 30 CGEDMO COCC1(C#N)CC[NH+](Cc2cccc(C(F)F)c2)CC1 ZINC000341981642 263370149 /nfs/dbraw/zinc/37/01/49/263370149.db2.gz FWSWMYQIHZCGJN-UHFFFAOYSA-N 1 1 294.345 3.376 20 30 CGEDMO C=C1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccccc2C)CC1 ZINC000341992060 263382455 /nfs/dbraw/zinc/38/24/55/263382455.db2.gz HZKCFTKGBLXKFM-CVEARBPZSA-N 1 1 286.419 3.213 20 30 CGEDMO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C2=CCCCC2)C1 ZINC000330859992 264055389 /nfs/dbraw/zinc/05/53/89/264055389.db2.gz KLGFHNUGUPNYRK-AWEZNQCLSA-N 1 1 293.411 3.081 20 30 CGEDMO C=CCCCCC[N@@H+](C)Cc1nc(C(F)F)no1 ZINC000425421976 264312967 /nfs/dbraw/zinc/31/29/67/264312967.db2.gz RWEQOFAFAHIPET-UHFFFAOYSA-N 1 1 259.300 3.185 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1nc(C(F)F)no1 ZINC000425421976 264312969 /nfs/dbraw/zinc/31/29/69/264312969.db2.gz RWEQOFAFAHIPET-UHFFFAOYSA-N 1 1 259.300 3.185 20 30 CGEDMO C=CCCC[N@@H+](C)Cc1noc(-c2ccccc2)n1 ZINC000076734036 264342844 /nfs/dbraw/zinc/34/28/44/264342844.db2.gz XJFMXUVSLNWROP-UHFFFAOYSA-N 1 1 257.337 3.135 20 30 CGEDMO C=CCCC[N@H+](C)Cc1noc(-c2ccccc2)n1 ZINC000076734036 264342845 /nfs/dbraw/zinc/34/28/45/264342845.db2.gz XJFMXUVSLNWROP-UHFFFAOYSA-N 1 1 257.337 3.135 20 30 CGEDMO C=CCOc1cccc(C[N@H+](C)[C@@H]2CCSC2)c1 ZINC000130531237 264352481 /nfs/dbraw/zinc/35/24/81/264352481.db2.gz MSLAMXALYQQAML-CQSZACIVSA-N 1 1 263.406 3.189 20 30 CGEDMO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1CC1(C#N)CCC1 ZINC000334618653 265063722 /nfs/dbraw/zinc/06/37/22/265063722.db2.gz IIXGNQLKOCJCSL-JTQLQIEISA-N 1 1 260.303 3.343 20 30 CGEDMO O[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C2(CCC2)C1 ZINC000334967043 265082172 /nfs/dbraw/zinc/08/21/72/265082172.db2.gz LCQYLFHXUSHJSK-INIZCTEOSA-N 1 1 289.806 3.071 20 30 CGEDMO C=CCOc1cccc(C[N@H+](CCO)[C@@H]2CC[C@H](C)C2)c1 ZINC000356363307 266101904 /nfs/dbraw/zinc/10/19/04/266101904.db2.gz LLAPELJJTAAJIV-DOTOQJQBSA-N 1 1 289.419 3.234 20 30 CGEDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1Cc1ccccc1C(C)(C)C#N ZINC000356996714 266229197 /nfs/dbraw/zinc/22/91/97/266229197.db2.gz HQSHNTFEVJXTPR-HUUCEWRRSA-N 1 1 285.435 3.012 20 30 CGEDMO C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2C(C)(C)C#N)CCN1C ZINC000356996714 266229199 /nfs/dbraw/zinc/22/91/99/266229199.db2.gz HQSHNTFEVJXTPR-HUUCEWRRSA-N 1 1 285.435 3.012 20 30 CGEDMO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2C(C)(C)C#N)CCN1C ZINC000356996714 266229200 /nfs/dbraw/zinc/22/92/00/266229200.db2.gz HQSHNTFEVJXTPR-HUUCEWRRSA-N 1 1 285.435 3.012 20 30 CGEDMO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000114564121 266395438 /nfs/dbraw/zinc/39/54/38/266395438.db2.gz XGGVLMJBKJPPBI-JKSUJKDBSA-N 1 1 257.381 3.252 20 30 CGEDMO C=C(CC)C[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000358502025 266470120 /nfs/dbraw/zinc/47/01/20/266470120.db2.gz UTPXHEUEPMDPOL-KRWDZBQOSA-N 1 1 259.393 3.325 20 30 CGEDMO C[C@H]([NH2+]CC#Cc1ccccc1Cl)c1ccccn1 ZINC000361147270 266792441 /nfs/dbraw/zinc/79/24/41/266792441.db2.gz SUZWGMIILUXYLV-ZDUSSCGKSA-N 1 1 270.763 3.437 20 30 CGEDMO C=CCC[N@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000363108566 267075565 /nfs/dbraw/zinc/07/55/65/267075565.db2.gz FZTLGAWZTIXENQ-AWEZNQCLSA-N 1 1 283.318 3.237 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(OC)cc1 ZINC000369402703 267240826 /nfs/dbraw/zinc/24/08/26/267240826.db2.gz HQCILJNNYONOIE-MRXNPFEDSA-N 1 1 288.391 3.064 20 30 CGEDMO C=CCCCCC[N@H+]1CCOC[C@@H]1c1c(C)nn(C)c1C ZINC000369483795 267245427 /nfs/dbraw/zinc/24/54/27/267245427.db2.gz JSZBSOVBFHPZGW-MRXNPFEDSA-N 1 1 291.439 3.157 20 30 CGEDMO C=CCCCCC[N@@H+]1CCOC[C@@H]1c1c(C)nn(C)c1C ZINC000369483795 267245430 /nfs/dbraw/zinc/24/54/30/267245430.db2.gz JSZBSOVBFHPZGW-MRXNPFEDSA-N 1 1 291.439 3.157 20 30 CGEDMO CC1(C)C[N@@H+](CC#Cc2ccc(Cl)cc2)CCCO1 ZINC000370215214 267299418 /nfs/dbraw/zinc/29/94/18/267299418.db2.gz KDKBTSQONGGDMO-UHFFFAOYSA-N 1 1 277.795 3.192 20 30 CGEDMO C=CC[N@@H+](Cc1cnn(CCC)c1)Cc1cccc(C#N)c1 ZINC000120007328 267352211 /nfs/dbraw/zinc/35/22/11/267352211.db2.gz OCCMVSJCZIGOMT-UHFFFAOYSA-N 1 1 294.402 3.353 20 30 CGEDMO C=CC[N@H+](Cc1cnn(CCC)c1)Cc1cccc(C#N)c1 ZINC000120007328 267352214 /nfs/dbraw/zinc/35/22/14/267352214.db2.gz OCCMVSJCZIGOMT-UHFFFAOYSA-N 1 1 294.402 3.353 20 30 CGEDMO C[C@@H]1C[C@H](NCC2(C#N)CCC2)C[N@H+](Cc2ccccc2)C1 ZINC000418141765 267363363 /nfs/dbraw/zinc/36/33/63/267363363.db2.gz LSPKQQIDJPNLKK-AEFFLSMTSA-N 1 1 297.446 3.180 20 30 CGEDMO C[C@@H]1C[C@H](NCC2(C#N)CCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000418141765 267363365 /nfs/dbraw/zinc/36/33/65/267363365.db2.gz LSPKQQIDJPNLKK-AEFFLSMTSA-N 1 1 297.446 3.180 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CC1(C#N)CCC1 ZINC000418145079 267366367 /nfs/dbraw/zinc/36/63/67/267366367.db2.gz WPWBZGFCTVRQRK-UHFFFAOYSA-N 1 1 294.402 3.273 20 30 CGEDMO C=C(C)C[N@@H+](CC)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000120137880 267385253 /nfs/dbraw/zinc/38/52/53/267385253.db2.gz GVIKSELQIVBRAD-MRXNPFEDSA-N 1 1 290.382 3.043 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000120137880 267385257 /nfs/dbraw/zinc/38/52/57/267385257.db2.gz GVIKSELQIVBRAD-MRXNPFEDSA-N 1 1 290.382 3.043 20 30 CGEDMO C=C1CC[NH+](C[C@H](O)c2ccc(F)cc2Cl)CC1 ZINC000274818302 273483718 /nfs/dbraw/zinc/48/37/18/273483718.db2.gz XGGAQVPGDOCHNO-AWEZNQCLSA-N 1 1 269.747 3.165 20 30 CGEDMO C#CC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175863230 275382438 /nfs/dbraw/zinc/38/24/38/275382438.db2.gz KFTOPNHXEWJVFD-KGLIPLIRSA-N 1 1 263.406 3.049 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)[C@H]2CCCc3ccccc32)n1 ZINC000279789625 275385412 /nfs/dbraw/zinc/38/54/12/275385412.db2.gz VJFXEQYDKNBEHD-IBGZPJMESA-N 1 1 293.414 3.416 20 30 CGEDMO C[N@H+]1CCC[C@@H]2CN(c3cc(Cl)ccc3C#N)CC[C@H]21 ZINC000227335566 277069661 /nfs/dbraw/zinc/06/96/61/277069661.db2.gz DEJRJRKLKQFHSJ-UKRRQHHQSA-N 1 1 289.810 3.132 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](C)C1CC(C)(C)C1 ZINC000395454604 288009530 /nfs/dbraw/zinc/00/95/30/288009530.db2.gz BTMKRACYKQYGPE-UHFFFAOYSA-N 1 1 258.365 3.187 20 30 CGEDMO C[C@@H](CCNc1ncccc1C#N)[N@@H+](C)Cc1ccccc1 ZINC000301480926 278234154 /nfs/dbraw/zinc/23/41/54/278234154.db2.gz SAVRLDQTUXWBNY-HNNXBMFYSA-N 1 1 294.402 3.276 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411874339 278306071 /nfs/dbraw/zinc/30/60/71/278306071.db2.gz MEIWBPMZFZFMHO-CXAGYDPISA-N 1 1 270.376 3.120 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411874339 278306072 /nfs/dbraw/zinc/30/60/72/278306072.db2.gz MEIWBPMZFZFMHO-CXAGYDPISA-N 1 1 270.376 3.120 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000245597794 278306283 /nfs/dbraw/zinc/30/62/83/278306283.db2.gz LVRZUHLPYWLYQA-RKVPGOIHSA-N 1 1 294.402 3.399 20 30 CGEDMO C[C@@H]([NH2+][C@H]1COc2ccc(F)cc21)c1ccc(C#N)cc1 ZINC000335973742 278389013 /nfs/dbraw/zinc/38/90/13/278389013.db2.gz IAOYXJOXUIXSSY-BZNIZROVSA-N 1 1 282.318 3.482 20 30 CGEDMO C[C@@H]1COC[C@@H](c2ccccc2)[N@@H+]1CCC(C)(C)C#N ZINC000346993144 288376291 /nfs/dbraw/zinc/37/62/91/288376291.db2.gz VODZFDHRVOOHMU-ZBFHGGJFSA-N 1 1 272.392 3.388 20 30 CGEDMO C[C@@H]1COC[C@@H](c2ccccc2)[N@H+]1CCC(C)(C)C#N ZINC000346993144 288376293 /nfs/dbraw/zinc/37/62/93/288376293.db2.gz VODZFDHRVOOHMU-ZBFHGGJFSA-N 1 1 272.392 3.388 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247977543 290221866 /nfs/dbraw/zinc/22/18/66/290221866.db2.gz HZDJQWPMSQSDIB-OLMNPRSZSA-N 1 1 283.419 3.035 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247977543 290221869 /nfs/dbraw/zinc/22/18/69/290221869.db2.gz HZDJQWPMSQSDIB-OLMNPRSZSA-N 1 1 283.419 3.035 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1cc(Cl)c(OC)c(OC)c1 ZINC000054183623 327887877 /nfs/dbraw/zinc/88/78/77/327887877.db2.gz LQVHNNDPODGBTI-NSHDSACASA-N 1 1 282.771 3.139 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@H]1CCCc2ccccc21 ZINC000531614479 328019239 /nfs/dbraw/zinc/01/92/39/328019239.db2.gz ILTATEVOOOUADH-RDJZCZTQSA-N 1 1 259.393 3.323 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@@H]1CCCc2ccccc21 ZINC000531614477 328019273 /nfs/dbraw/zinc/01/92/73/328019273.db2.gz ILTATEVOOOUADH-DOTOQJQBSA-N 1 1 259.393 3.323 20 30 CGEDMO COc1ccc(C[N@H+](CCC#N)C(C)C)cc1Cl ZINC000534342060 328049828 /nfs/dbraw/zinc/04/98/28/328049828.db2.gz BKMPHGVBOMROFF-UHFFFAOYSA-N 1 1 266.772 3.473 20 30 CGEDMO COc1ccc(C[N@@H+](CCC#N)C(C)C)cc1Cl ZINC000534342060 328049829 /nfs/dbraw/zinc/04/98/29/328049829.db2.gz BKMPHGVBOMROFF-UHFFFAOYSA-N 1 1 266.772 3.473 20 30 CGEDMO C=CCCCCCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000563371021 328060114 /nfs/dbraw/zinc/06/01/14/328060114.db2.gz HWCFHKYDQZYVER-MQVJKMGUSA-N 1 1 293.455 3.047 20 30 CGEDMO C[C@H](C#N)C[N@H+](C[C@H]1CCC2(CCCC2)O1)C1CC1 ZINC000571107537 328086112 /nfs/dbraw/zinc/08/61/12/328086112.db2.gz KUJKPKRKTADRIR-UKRRQHHQSA-N 1 1 262.397 3.102 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C[C@H]1CCC2(CCCC2)O1)C1CC1 ZINC000571107537 328086114 /nfs/dbraw/zinc/08/61/14/328086114.db2.gz KUJKPKRKTADRIR-UKRRQHHQSA-N 1 1 262.397 3.102 20 30 CGEDMO C[C@@H]1C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C(C)(C)C1 ZINC000266948827 328170743 /nfs/dbraw/zinc/17/07/43/328170743.db2.gz SPCJDPBGXLRHHX-HNNXBMFYSA-N 1 1 299.418 3.054 20 30 CGEDMO C[C@H](C#N)C[N@H+](C)Cc1cccc(-c2ccccn2)c1 ZINC000271134811 328195123 /nfs/dbraw/zinc/19/51/23/328195123.db2.gz QTQUDYZWCVLGLA-CQSZACIVSA-N 1 1 265.360 3.340 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C)Cc1cccc(-c2ccccn2)c1 ZINC000271134811 328195124 /nfs/dbraw/zinc/19/51/24/328195124.db2.gz QTQUDYZWCVLGLA-CQSZACIVSA-N 1 1 265.360 3.340 20 30 CGEDMO CC[C@@H](CSC)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000271556935 328196679 /nfs/dbraw/zinc/19/66/79/328196679.db2.gz MLGDIIQCQQUYFZ-AWEZNQCLSA-N 1 1 278.421 3.162 20 30 CGEDMO COc1ccc(CCC[N@@H+](C)[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000278510961 328225944 /nfs/dbraw/zinc/22/59/44/328225944.db2.gz BHXSQPNROBKLGW-CVEARBPZSA-N 1 1 272.392 3.252 20 30 CGEDMO Cn1c(Cl)cnc1C[N@H+](C)CCCCC(C)(C)C#N ZINC000278846353 328231047 /nfs/dbraw/zinc/23/10/47/328231047.db2.gz REESXIQTVYBEIT-UHFFFAOYSA-N 1 1 282.819 3.225 20 30 CGEDMO Cn1c(Cl)cnc1C[N@@H+](C)CCCCC(C)(C)C#N ZINC000278846353 328231048 /nfs/dbraw/zinc/23/10/48/328231048.db2.gz REESXIQTVYBEIT-UHFFFAOYSA-N 1 1 282.819 3.225 20 30 CGEDMO CC(C)COC[C@H]([NH2+][C@H](C)CCC#N)c1ccco1 ZINC000278899690 328231982 /nfs/dbraw/zinc/23/19/82/328231982.db2.gz ISPWQLXICZODIR-KGLIPLIRSA-N 1 1 264.369 3.275 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1nc2cc(Cl)ccc2n1C ZINC000181303961 329230816 /nfs/dbraw/zinc/23/08/16/329230816.db2.gz VNVBXMKLVKYKLW-UHFFFAOYSA-N 1 1 263.772 3.235 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1nc2cc(Cl)ccc2n1C ZINC000181303961 329230817 /nfs/dbraw/zinc/23/08/17/329230817.db2.gz VNVBXMKLVKYKLW-UHFFFAOYSA-N 1 1 263.772 3.235 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000181311572 329231236 /nfs/dbraw/zinc/23/12/36/329231236.db2.gz QFMZEMJZZBYQFX-NSHDSACASA-N 1 1 266.772 3.175 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000181311572 329231237 /nfs/dbraw/zinc/23/12/37/329231237.db2.gz QFMZEMJZZBYQFX-NSHDSACASA-N 1 1 266.772 3.175 20 30 CGEDMO CC[C@@H](C)[N@@H+](CCO)Cc1ccccc1C(C)(C)C#N ZINC000287458596 328251227 /nfs/dbraw/zinc/25/12/27/328251227.db2.gz RBOSRRSULWOPPO-CQSZACIVSA-N 1 1 274.408 3.081 20 30 CGEDMO C[C@H]1C[N@@H+](CCC(C)(C)C#N)Cc2ccccc2O1 ZINC000292399175 328269831 /nfs/dbraw/zinc/26/98/31/328269831.db2.gz LCSGVSJGDQRPAL-ZDUSSCGKSA-N 1 1 258.365 3.209 20 30 CGEDMO Cc1ccc([C@H]2CCCCC[N@H+]2CCOCCC#N)o1 ZINC000292947112 328274108 /nfs/dbraw/zinc/27/41/08/328274108.db2.gz BUZHNXRPJHIHTI-OAHLLOKOSA-N 1 1 276.380 3.435 20 30 CGEDMO CCC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000564088809 322020097 /nfs/dbraw/zinc/02/00/97/322020097.db2.gz CFQRQLWDXKLOOU-LLVKDONJSA-N 1 1 261.325 3.087 20 30 CGEDMO CCC[C@H]1[C@@H](C)CCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000564211501 322023298 /nfs/dbraw/zinc/02/32/98/322023298.db2.gz KWKBRNGTWBKWOJ-BBRMVZONSA-N 1 1 297.406 3.002 20 30 CGEDMO CCC[C@H](C)C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000565391778 322075680 /nfs/dbraw/zinc/07/56/80/322075680.db2.gz XWIMTWOTHOSXQL-HNNXBMFYSA-N 1 1 274.408 3.443 20 30 CGEDMO N#Cc1c(F)cccc1C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000566173743 322108191 /nfs/dbraw/zinc/10/81/91/322108191.db2.gz MSQPCQHWXOYUER-INIZCTEOSA-N 1 1 296.345 3.351 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000566173743 322108193 /nfs/dbraw/zinc/10/81/93/322108193.db2.gz MSQPCQHWXOYUER-INIZCTEOSA-N 1 1 296.345 3.351 20 30 CGEDMO CCC[C@H](C)[C@H]1CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000566414119 322121036 /nfs/dbraw/zinc/12/10/36/322121036.db2.gz MGOYRYCKKOMFOH-XJKSGUPXSA-N 1 1 257.381 3.354 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC(C)(C)C1 ZINC000566622430 322131967 /nfs/dbraw/zinc/13/19/67/322131967.db2.gz URLQHZHJKBVHDQ-GFCCVEGCSA-N 1 1 287.363 3.334 20 30 CGEDMO CCC[N@@H+](C(C)C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000567246707 322155747 /nfs/dbraw/zinc/15/57/47/322155747.db2.gz SGAPDHWKKUAUKF-QGZVFWFLSA-N 1 1 299.418 3.174 20 30 CGEDMO Cc1cc(C)c(C#N)c(SCCCc2c[nH+]cn2C)n1 ZINC000567753860 322176365 /nfs/dbraw/zinc/17/63/65/322176365.db2.gz JHVYIUPVSFGACV-UHFFFAOYSA-N 1 1 286.404 3.029 20 30 CGEDMO C[C@H]1C[C@@H](Nc2ccc(Cl)cc2C#N)C[N@H+]1C1CC1 ZINC000569635159 322252755 /nfs/dbraw/zinc/25/27/55/322252755.db2.gz QOYIWFNROGJBPJ-GXFFZTMASA-N 1 1 275.783 3.249 20 30 CGEDMO Cc1cccnc1[C@H]([NH2+]Cc1ccc(C#N)cn1)C(C)C ZINC000570231985 322268593 /nfs/dbraw/zinc/26/85/93/322268593.db2.gz HKZPNZDSRFCQIC-MRXNPFEDSA-N 1 1 280.375 3.144 20 30 CGEDMO CC(C)(C#N)CC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000087595128 326942997 /nfs/dbraw/zinc/94/29/97/326942997.db2.gz GWVFWWNHHCVLDC-UHFFFAOYSA-N 1 1 291.826 3.402 20 30 CGEDMO Cc1nnsc1C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000576759185 327039561 /nfs/dbraw/zinc/03/95/61/327039561.db2.gz USSMNDRMTCHOSE-UHFFFAOYSA-N 1 1 286.404 3.129 20 30 CGEDMO Cc1nnsc1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000576759185 327039562 /nfs/dbraw/zinc/03/95/62/327039562.db2.gz USSMNDRMTCHOSE-UHFFFAOYSA-N 1 1 286.404 3.129 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@]3(C2)CCc2ccccc2O3)C1 ZINC000559247789 327150266 /nfs/dbraw/zinc/15/02/66/327150266.db2.gz IMVYCKNUMKSHFP-UWWQBHOKSA-N 1 1 282.387 3.148 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1ccc(C(=O)OC)o1 ZINC000150894739 327209015 /nfs/dbraw/zinc/20/90/15/327209015.db2.gz UAMOWEDTGHMVLI-UHFFFAOYSA-N 1 1 265.353 3.244 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000559400464 327243476 /nfs/dbraw/zinc/24/34/76/327243476.db2.gz YDQRWSXZPKVQDQ-AWEZNQCLSA-N 1 1 251.757 3.369 20 30 CGEDMO CC#CC[N@@H+](C)[C@H](C)c1ccc(Br)cc1 ZINC000559458942 327246332 /nfs/dbraw/zinc/24/63/32/327246332.db2.gz QFYLVLYZJVUPRF-LLVKDONJSA-N 1 1 266.182 3.465 20 30 CGEDMO C#CC[N@H+](Cc1cccc(NC(C)=O)c1)C1CCCC1 ZINC000155854143 327398117 /nfs/dbraw/zinc/39/81/17/327398117.db2.gz ALLBKTFTTGGZDC-UHFFFAOYSA-N 1 1 270.376 3.023 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](C3CC3)C2)cc1 ZINC000377395103 329013937 /nfs/dbraw/zinc/01/39/37/329013937.db2.gz ZTCAITXEBPWKOR-CJNGLKHVSA-N 1 1 270.376 3.209 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000175658986 329167667 /nfs/dbraw/zinc/16/76/67/329167667.db2.gz IKMBGDDGHCDWMH-SJORKVTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCCC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000175628391 329170261 /nfs/dbraw/zinc/17/02/61/329170261.db2.gz ZYTCMFVFRSIUJM-MRXNPFEDSA-N 1 1 286.419 3.076 20 30 CGEDMO C=CCCCC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000175628391 329170262 /nfs/dbraw/zinc/17/02/62/329170262.db2.gz ZYTCMFVFRSIUJM-MRXNPFEDSA-N 1 1 286.419 3.076 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCn3cccc3[C@@H]2C)cc1 ZINC000179565461 329209691 /nfs/dbraw/zinc/20/96/91/329209691.db2.gz GTIHSTFXJAYEHX-GJZGRUSLSA-N 1 1 295.386 3.356 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCn3cccc3[C@@H]2C)cc1 ZINC000179565461 329209693 /nfs/dbraw/zinc/20/96/93/329209693.db2.gz GTIHSTFXJAYEHX-GJZGRUSLSA-N 1 1 295.386 3.356 20 30 CGEDMO CCOCc1cc(C[N@H+](CC)C[C@H](C)C#N)ccc1OC ZINC000179816023 329212417 /nfs/dbraw/zinc/21/24/17/329212417.db2.gz KRRVNBCALNHFEJ-CQSZACIVSA-N 1 1 290.407 3.213 20 30 CGEDMO CCOCc1cc(C[N@@H+](CC)C[C@H](C)C#N)ccc1OC ZINC000179816023 329212418 /nfs/dbraw/zinc/21/24/18/329212418.db2.gz KRRVNBCALNHFEJ-CQSZACIVSA-N 1 1 290.407 3.213 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000181244611 329227577 /nfs/dbraw/zinc/22/75/77/329227577.db2.gz QYEJWGUZCPPOBA-LBPRGKRZSA-N 1 1 257.337 3.306 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000181244611 329227579 /nfs/dbraw/zinc/22/75/79/329227579.db2.gz QYEJWGUZCPPOBA-LBPRGKRZSA-N 1 1 257.337 3.306 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000181311129 329230740 /nfs/dbraw/zinc/23/07/40/329230740.db2.gz PNKLISVPHMLDJD-UHFFFAOYSA-N 1 1 267.756 3.119 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000184093196 329256065 /nfs/dbraw/zinc/25/60/65/329256065.db2.gz GPOICCDCECZRCN-LBPRGKRZSA-N 1 1 286.297 3.410 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@@H](OC(C)C)C2)c1 ZINC000583204533 329364293 /nfs/dbraw/zinc/36/42/93/329364293.db2.gz XNKDUKZPUSWUQT-QGZVFWFLSA-N 1 1 275.392 3.251 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1ccn(-c2ccccc2F)n1 ZINC000189361826 329379576 /nfs/dbraw/zinc/37/95/76/329379576.db2.gz TUZCWIFYKHBBOH-UHFFFAOYSA-N 1 1 259.328 3.019 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccn(-c2ccccc2F)n1 ZINC000189361826 329379577 /nfs/dbraw/zinc/37/95/77/329379577.db2.gz TUZCWIFYKHBBOH-UHFFFAOYSA-N 1 1 259.328 3.019 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1nccc(OC)c1OC ZINC000190595641 329398331 /nfs/dbraw/zinc/39/83/31/329398331.db2.gz MKUUYVIXPAUPGW-UHFFFAOYSA-N 1 1 278.396 3.277 20 30 CGEDMO CC(C)[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1nc(C2CC2)no1 ZINC000248794090 329899295 /nfs/dbraw/zinc/89/92/95/329899295.db2.gz JACZJKSKCKBFCD-XBFCOCLRSA-N 1 1 288.395 3.316 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2nnc(C)s2)CCCC1(C)C ZINC000277742532 330118261 /nfs/dbraw/zinc/11/82/61/330118261.db2.gz KWTZQEGEYOXQFS-LBPRGKRZSA-N 1 1 265.426 3.413 20 30 CGEDMO CC(C)(CCC#N)C[NH2+][C@@H]1C[C@H](N)c2ccccc21 ZINC000423130359 330171967 /nfs/dbraw/zinc/17/19/67/330171967.db2.gz RYFFVRRZZRPNPT-LSDHHAIUSA-N 1 1 257.381 3.051 20 30 CGEDMO N#CCCC[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000423137035 330172100 /nfs/dbraw/zinc/17/21/00/330172100.db2.gz VXKUZNJZSKANCN-UJJTZGENSA-N 1 1 283.419 3.294 20 30 CGEDMO C=C(CC)C[NH2+]Cc1ncc(Br)cc1F ZINC000527717278 330276752 /nfs/dbraw/zinc/27/67/52/330276752.db2.gz NAFDELKZTCKCPI-UHFFFAOYSA-N 1 1 273.149 3.039 20 30 CGEDMO C=CC(C)(C)CC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000527927975 330296816 /nfs/dbraw/zinc/29/68/16/330296816.db2.gz SNIDGVICGIKLIC-KFWWJZLASA-N 1 1 250.430 3.051 20 30 CGEDMO CC(C)(C)c1nc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cs1 ZINC000424199053 330326179 /nfs/dbraw/zinc/32/61/79/330326179.db2.gz PRQOLKHKMFKAOQ-WDEREUQCSA-N 1 1 263.410 3.222 20 30 CGEDMO C=CCn1cc(C[NH2+][C@H](C)c2cc(C)c(F)c(C)c2)nn1 ZINC000424294755 330335717 /nfs/dbraw/zinc/33/57/17/330335717.db2.gz LKWWPZZVXJRGPK-CYBMUJFWSA-N 1 1 288.370 3.071 20 30 CGEDMO C=CCn1cc(C[NH2+][C@@H]2C[C@@H](C)c3c2cccc3C)nn1 ZINC000424295423 330335804 /nfs/dbraw/zinc/33/58/04/330335804.db2.gz MSCDYSQQKQNHLB-CZUORRHYSA-N 1 1 282.391 3.111 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000424570235 330380708 /nfs/dbraw/zinc/38/07/08/330380708.db2.gz VNFXNCMNBHKSRF-UHFFFAOYSA-N 1 1 288.435 3.227 20 30 CGEDMO C=C(CC)C[NH2+]C(C)(C)c1cc(C(F)(F)F)on1 ZINC000429277577 330541829 /nfs/dbraw/zinc/54/18/29/330541829.db2.gz ZCDRWOXFTSMDCF-UHFFFAOYSA-N 1 1 262.275 3.484 20 30 CGEDMO CCO[C@@H]1CC[N@@H+](CCCC(C)(C)C#N)C[C@H]1C ZINC000451540722 331033038 /nfs/dbraw/zinc/03/30/38/331033038.db2.gz KXELCHNCINQASJ-ZIAGYGMSSA-N 1 1 252.402 3.063 20 30 CGEDMO N#CCCC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544018 331033579 /nfs/dbraw/zinc/03/35/79/331033579.db2.gz CZYHZRUUCBQJBR-CQSZACIVSA-N 1 1 273.336 3.078 20 30 CGEDMO CO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(CC#N)cc2)C12CCC2 ZINC000451845680 331044511 /nfs/dbraw/zinc/04/45/11/331044511.db2.gz IUTRHYJPKCLANG-IAGOWNOFSA-N 1 1 284.403 3.142 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451986527 331049449 /nfs/dbraw/zinc/04/94/49/331049449.db2.gz XXUNNAPVYFGJGP-QGZVFWFLSA-N 1 1 271.429 3.257 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](N(C)CC#Cc2cccc(Cl)c2)C1 ZINC000452124293 331054974 /nfs/dbraw/zinc/05/49/74/331054974.db2.gz WIBWFYJRTHNZNE-KRWDZBQOSA-N 1 1 290.838 3.106 20 30 CGEDMO C[C@@H]1C[C@H](Nc2cccc(OCCCC#N)c2)C[N@H+]1C1CC1 ZINC000163990237 331147016 /nfs/dbraw/zinc/14/70/16/331147016.db2.gz HLIUKQTUOPTAIR-ZBFHGGJFSA-N 1 1 299.418 3.406 20 30 CGEDMO CCN1C[C@@H](C)[NH+](CCCCC(C)(C)C#N)[C@H](C)C1 ZINC000459462832 331282915 /nfs/dbraw/zinc/28/29/15/331282915.db2.gz MVCMQOACTYUQJY-HUUCEWRRSA-N 1 1 265.445 3.121 20 30 CGEDMO CC#CCC[N@@H+](C)CCCOc1ccc(Cl)cc1 ZINC000462313878 331319105 /nfs/dbraw/zinc/31/91/05/331319105.db2.gz JVESRIZDAPCXTI-UHFFFAOYSA-N 1 1 265.784 3.454 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000463451870 331348047 /nfs/dbraw/zinc/34/80/47/331348047.db2.gz QXPSOQYDEFUPRA-FUHWJXTLSA-N 1 1 273.420 3.367 20 30 CGEDMO C=CCCCCC[N@H+]([C@@H](C)C(=O)OC)C1CCC1 ZINC000489049251 332039350 /nfs/dbraw/zinc/03/93/50/332039350.db2.gz XZXYMWVIAGWQJD-ZDUSSCGKSA-N 1 1 253.386 3.149 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000489422335 332051338 /nfs/dbraw/zinc/05/13/38/332051338.db2.gz DRUCTDBZMVRBDW-MJGOQNOKSA-N 1 1 298.430 3.294 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000489422335 332051339 /nfs/dbraw/zinc/05/13/39/332051339.db2.gz DRUCTDBZMVRBDW-MJGOQNOKSA-N 1 1 298.430 3.294 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CCCN(CC)CC(F)(F)F ZINC000489436355 332052389 /nfs/dbraw/zinc/05/23/89/332052389.db2.gz VIWWWRJHNRJFLD-ZDUSSCGKSA-N 1 1 278.362 3.301 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(OCC)cc1 ZINC000489446374 332053319 /nfs/dbraw/zinc/05/33/19/332053319.db2.gz NPGRDUXFGFMVHU-HNNXBMFYSA-N 1 1 288.391 3.064 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(OCC)cc1 ZINC000489446374 332053320 /nfs/dbraw/zinc/05/33/20/332053320.db2.gz NPGRDUXFGFMVHU-HNNXBMFYSA-N 1 1 288.391 3.064 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1cnn(Cc2ccccc2)c1 ZINC000489447427 332053332 /nfs/dbraw/zinc/05/33/32/332053332.db2.gz IIKKMCMSYRUWKU-SFHVURJKSA-N 1 1 281.403 3.472 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1cc(C)ccc1C ZINC000489489994 332056115 /nfs/dbraw/zinc/05/61/15/332056115.db2.gz BWOXKALOORQCOZ-SJORKVTESA-N 1 1 289.419 3.084 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(Cl)cc1 ZINC000489492181 332056499 /nfs/dbraw/zinc/05/64/99/332056499.db2.gz CZFKKAUMDCDVFV-LSDHHAIUSA-N 1 1 295.810 3.120 20 30 CGEDMO C#CC[N@@H+](CC)Cc1ccc(Cl)nc1C(F)(F)F ZINC000490740759 332111146 /nfs/dbraw/zinc/11/11/46/332111146.db2.gz QMBRLVXZTHVVCN-UHFFFAOYSA-N 1 1 276.689 3.209 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccc(Cl)nc1C(F)(F)F ZINC000490740759 332111147 /nfs/dbraw/zinc/11/11/47/332111147.db2.gz QMBRLVXZTHVVCN-UHFFFAOYSA-N 1 1 276.689 3.209 20 30 CGEDMO C#CC[N@@H+](C[C@@H]1CCCOC1)[C@@H]1CCc2ccccc21 ZINC000490830425 332118498 /nfs/dbraw/zinc/11/84/98/332118498.db2.gz KJZRTYICBZFPOC-MAUKXSAKSA-N 1 1 269.388 3.036 20 30 CGEDMO C#CC[N@@H+](CC)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1Cl ZINC000490867049 332122499 /nfs/dbraw/zinc/12/24/99/332122499.db2.gz YIFZLQBLNGVOSN-ZDUSSCGKSA-N 1 1 292.810 3.239 20 30 CGEDMO C#CC[N@H+](CC)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1Cl ZINC000490867049 332122501 /nfs/dbraw/zinc/12/25/01/332122501.db2.gz YIFZLQBLNGVOSN-ZDUSSCGKSA-N 1 1 292.810 3.239 20 30 CGEDMO C#C[C@H]([NH2+][C@H]1CCSC1)c1ccc(Cl)cc1F ZINC000491741366 332320261 /nfs/dbraw/zinc/32/02/61/332320261.db2.gz ZDZQRZZRSABWBB-GWCFXTLKSA-N 1 1 269.772 3.249 20 30 CGEDMO C=CC[N@H+](CCOC)C/C(C)=C/c1ccccc1COC ZINC000513192520 333007707 /nfs/dbraw/zinc/00/77/07/333007707.db2.gz LTKWKBIOXKVYLM-DTQAZKPQSA-N 1 1 289.419 3.371 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000309973334 333051942 /nfs/dbraw/zinc/05/19/42/333051942.db2.gz PDQSNPZFMTVGDU-MOPGFXCFSA-N 1 1 284.447 3.407 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000309973334 333051943 /nfs/dbraw/zinc/05/19/43/333051943.db2.gz PDQSNPZFMTVGDU-MOPGFXCFSA-N 1 1 284.447 3.407 20 30 CGEDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)CC#Cc1ccccc1 ZINC000192076792 333229134 /nfs/dbraw/zinc/22/91/34/333229134.db2.gz LHPNYKWQOJDSRW-INIZCTEOSA-N 1 1 279.383 3.307 20 30 CGEDMO CC[N@@H+](CCCc1ccc2c(c1)CCO2)C[C@H](C)C#N ZINC000193240369 333246046 /nfs/dbraw/zinc/24/60/46/333246046.db2.gz PDMILGRLJHPZFE-CQSZACIVSA-N 1 1 272.392 3.036 20 30 CGEDMO C=CCCCCC[N@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000193326939 333248080 /nfs/dbraw/zinc/24/80/80/333248080.db2.gz VBEKGYGQUCDREG-KRWDZBQOSA-N 1 1 286.419 3.296 20 30 CGEDMO CCCCc1noc([C@H](C)[NH+]2CCC(CC#N)CC2)n1 ZINC000543806243 333900411 /nfs/dbraw/zinc/90/04/11/333900411.db2.gz ACCSFCDLRVJFKF-LBPRGKRZSA-N 1 1 276.384 3.099 20 30 CGEDMO CC#CCC[N@@H+]1CCC[C@@H]1Cc1cccc(OC)c1 ZINC000546611872 334040078 /nfs/dbraw/zinc/04/00/78/334040078.db2.gz ZBEIETYKMKEOAZ-MRXNPFEDSA-N 1 1 257.377 3.116 20 30 CGEDMO C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCCCC#N ZINC000134643599 334098819 /nfs/dbraw/zinc/09/88/19/334098819.db2.gz GVJAZHLXCAISNH-KBPBESRZSA-N 1 1 295.427 3.058 20 30 CGEDMO N#CC1(c2ccccn2)CCN(c2cc[nH+]cc2Cl)CC1 ZINC000548759675 334170239 /nfs/dbraw/zinc/17/02/39/334170239.db2.gz UTUUQRLZVREXDB-UHFFFAOYSA-N 1 1 298.777 3.192 20 30 CGEDMO C[C@H](C#N)C[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000137122978 334170485 /nfs/dbraw/zinc/17/04/85/334170485.db2.gz ZAAVHLNJHLICPC-MRVPVSSYSA-N 1 1 287.588 3.352 20 30 CGEDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCCSCC#N ZINC000080629322 334172796 /nfs/dbraw/zinc/17/27/96/334172796.db2.gz LMDNTSCASSPVHQ-RDBSUJKOSA-N 1 1 252.427 3.286 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+]CCOc1cccc2ccccc21 ZINC000548926479 334180481 /nfs/dbraw/zinc/18/04/81/334180481.db2.gz UECCBUGQVHJBIN-HNNXBMFYSA-N 1 1 293.370 3.252 20 30 CGEDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000549469094 334194882 /nfs/dbraw/zinc/19/48/82/334194882.db2.gz REAXBRNWRSKTSM-KKUMJFAQSA-N 1 1 292.423 3.122 20 30 CGEDMO CCCC[C@H](C)[N@@H+](CCCC)CC(=O)NC1(C#N)CCC1 ZINC000550371773 334221227 /nfs/dbraw/zinc/22/12/27/334221227.db2.gz JSRMNYZQALDVFK-HNNXBMFYSA-N 1 1 293.455 3.230 20 30 CGEDMO C=CCC(C)(C)C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000550857467 334230428 /nfs/dbraw/zinc/23/04/28/334230428.db2.gz TYPHFBORXQOQFP-ZNMIVQPWSA-N 1 1 250.430 3.051 20 30 CGEDMO C=CCCCC[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000567571794 334256597 /nfs/dbraw/zinc/25/65/97/334256597.db2.gz ZNNKPGWVWYMNAG-KRWDZBQOSA-N 1 1 257.377 3.474 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000091579613 334381005 /nfs/dbraw/zinc/38/10/05/334381005.db2.gz OBUQXYVUFYXHBM-LBPRGKRZSA-N 1 1 265.353 3.334 20 30 CGEDMO C[N@@H+](CCC(F)(F)F)Cc1ccc(CC#N)cc1 ZINC000342725101 335186270 /nfs/dbraw/zinc/18/62/70/335186270.db2.gz FBAFZFHXBALCFU-UHFFFAOYSA-N 1 1 256.271 3.137 20 30 CGEDMO N#CCCC1CC[NH+](Cc2cc(-c3ccco3)on2)CC1 ZINC000576344252 335192009 /nfs/dbraw/zinc/19/20/09/335192009.db2.gz XPINMFXZCPPRFS-UHFFFAOYSA-N 1 1 285.347 3.450 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2cc(C(C)=O)no2)CCCC1(C)C ZINC000576357827 335194056 /nfs/dbraw/zinc/19/40/56/335194056.db2.gz UFMBQBZUAFXLAP-OAHLLOKOSA-N 1 1 276.380 3.444 20 30 CGEDMO N#CCC1CC[NH+](Cc2cccc3c2OC(F)(F)O3)CC1 ZINC000577043678 335288739 /nfs/dbraw/zinc/28/87/39/335288739.db2.gz AZZCXLOAFZRZGU-UHFFFAOYSA-N 1 1 294.301 3.134 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000581585004 336107007 /nfs/dbraw/zinc/10/70/07/336107007.db2.gz WFRYAKCVDCFVDH-UHFFFAOYSA-N 1 1 272.245 3.238 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@@H](O)C(C)(C)C ZINC000581847434 336151222 /nfs/dbraw/zinc/15/12/22/336151222.db2.gz JLPTVXTZEZBVFC-MRXNPFEDSA-N 1 1 261.409 3.472 20 30 CGEDMO C[C@H]([N@@H+](C)CCC(=O)Nc1cccc(C#N)c1)C1(C)CC1 ZINC000385767824 336156066 /nfs/dbraw/zinc/15/60/66/336156066.db2.gz JUAGXIWPLSCQKN-ZDUSSCGKSA-N 1 1 285.391 3.007 20 30 CGEDMO C=CCCC[N@H+](C)CC/C=C/c1cncc(OC)c1 ZINC000581940726 336173349 /nfs/dbraw/zinc/17/33/49/336173349.db2.gz XNGUEXNYJPTYBA-RMKNXTFCSA-N 1 1 260.381 3.392 20 30 CGEDMO C[C@H]1CC[C@](CO)([N@@H+](C)Cc2ccc(C#N)cc2Cl)C1 ZINC000439450780 533770144 /nfs/dbraw/zinc/77/01/44/533770144.db2.gz WYGIJUAUAYFHAW-LRDDRELGSA-N 1 1 292.810 3.195 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCOCC(F)(F)F ZINC000425531498 534078362 /nfs/dbraw/zinc/07/83/62/534078362.db2.gz HOCPVXNWUNOKSU-NSHDSACASA-N 1 1 286.297 3.130 20 30 CGEDMO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)o2)cc1[N+](=O)[O-] ZINC000175061811 534225544 /nfs/dbraw/zinc/22/55/44/534225544.db2.gz CTSRFWGHKKNUIJ-NSHDSACASA-N 1 1 285.303 3.219 20 30 CGEDMO CC[N@@H+](Cc1ccc(Br)cc1C#N)C1CC1 ZINC000309316817 521296377 /nfs/dbraw/zinc/29/63/77/521296377.db2.gz PKKNVCSFIXMOTB-UHFFFAOYSA-N 1 1 279.181 3.305 20 30 CGEDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000163874274 525792038 /nfs/dbraw/zinc/79/20/38/525792038.db2.gz BGIPLUCDPQNFQI-WFASDCNBSA-N 1 1 292.810 3.337 20 30 CGEDMO C[C@H](c1ccncc1)[N@H+](C)Cc1ccc(C#N)s1 ZINC000183712983 526161719 /nfs/dbraw/zinc/16/17/19/526161719.db2.gz AJFZCEUNBALZIB-LLVKDONJSA-N 1 1 257.362 3.208 20 30 CGEDMO C[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000183712983 526161723 /nfs/dbraw/zinc/16/17/23/526161723.db2.gz AJFZCEUNBALZIB-LLVKDONJSA-N 1 1 257.362 3.208 20 30 CGEDMO N#Cc1ccc(NC[C@H]2CC[N@H+](C3CC3)C2)c(Cl)c1 ZINC000062790949 526664025 /nfs/dbraw/zinc/66/40/25/526664025.db2.gz JEZUULZTODAXFY-GFCCVEGCSA-N 1 1 275.783 3.108 20 30 CGEDMO C[N@@H+](Cc1ccc(Cl)cc1C#N)[C@@H](CO)CC(C)(C)C ZINC000451778577 536468599 /nfs/dbraw/zinc/46/85/99/536468599.db2.gz DDEDJBCHPYFRNC-OAHLLOKOSA-N 1 1 294.826 3.441 20 30 CGEDMO C=CCOCCC[N@H+](C)Cc1ccc(Cl)cc1 ZINC000347969385 526747334 /nfs/dbraw/zinc/74/73/34/526747334.db2.gz LGJJFJVOWYBIMY-UHFFFAOYSA-N 1 1 253.773 3.365 20 30 CGEDMO C=CCOCCC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000347966267 526749115 /nfs/dbraw/zinc/74/91/15/526749115.db2.gz MGLQSMJACGOWSP-UHFFFAOYSA-N 1 1 270.376 3.115 20 30 CGEDMO C=CCOc1ccc(CNC[C@@H]2CCC[N@H+]2CCC)cc1 ZINC000353122531 526886381 /nfs/dbraw/zinc/88/63/81/526886381.db2.gz GSPWZCFDHFGABF-KRWDZBQOSA-N 1 1 288.435 3.215 20 30 CGEDMO C=CCOc1ccc(CNC[C@@H]2CCC[N@@H+]2CCC)cc1 ZINC000353122531 526886388 /nfs/dbraw/zinc/88/63/88/526886388.db2.gz GSPWZCFDHFGABF-KRWDZBQOSA-N 1 1 288.435 3.215 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CCCC1 ZINC000334757369 527048826 /nfs/dbraw/zinc/04/88/26/527048826.db2.gz FCJNYCLIWDSRDS-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+](Cc1cccs1)C(C)C ZINC000353473446 527607544 /nfs/dbraw/zinc/60/75/44/527607544.db2.gz RXRPDQKKSJMUPY-UHFFFAOYSA-N 1 1 292.448 3.159 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+]([C@H](C)[C@H](C)CC)C1CC1 ZINC000355799351 527608579 /nfs/dbraw/zinc/60/85/79/527608579.db2.gz PPKNWBSFMMVOOI-HUUCEWRRSA-N 1 1 278.440 3.086 20 30 CGEDMO CCC[C@]1(C)CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000356127623 528502750 /nfs/dbraw/zinc/50/27/50/528502750.db2.gz XJQHCKLJIZASDF-CQSZACIVSA-N 1 1 263.410 3.417 20 30 CGEDMO CCC[C@]1(C)CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000356127623 528502761 /nfs/dbraw/zinc/50/27/61/528502761.db2.gz XJQHCKLJIZASDF-CQSZACIVSA-N 1 1 263.410 3.417 20 30 CGEDMO CC[N@@H+](C[C@H](OC)C1CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000425408404 528741251 /nfs/dbraw/zinc/74/12/51/528741251.db2.gz SHCBWJBKTCXAKW-GUYCJALGSA-N 1 1 272.392 3.366 20 30 CGEDMO CCC[C@@H](C)[C@@H]1CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000356125805 528903839 /nfs/dbraw/zinc/90/38/39/528903839.db2.gz SNOJKJRSAGOSJM-YPMHNXCESA-N 1 1 263.410 3.415 20 30 CGEDMO CCC([NH3+])(CC)CN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000423290644 528951438 /nfs/dbraw/zinc/95/14/38/528951438.db2.gz DWFVZBOQPRFVRN-QGZVFWFLSA-N 1 1 285.435 3.433 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@@H]1CSc1ccc(C#N)cn1 ZINC000412989158 529005423 /nfs/dbraw/zinc/00/54/23/529005423.db2.gz MQKDKGHOQVMLON-CQSZACIVSA-N 1 1 275.421 3.308 20 30 CGEDMO CC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437138561 529345194 /nfs/dbraw/zinc/34/51/94/529345194.db2.gz XOYJGTYPLQDVCE-SNVBAGLBSA-N 1 1 268.307 3.390 20 30 CGEDMO CC[C@@H](C)C[N@H+](CC)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459354640 535509945 /nfs/dbraw/zinc/50/99/45/535509945.db2.gz JGZVRRZQOGDROJ-GFCCVEGCSA-N 1 1 275.352 3.334 20 30 CGEDMO CC[C@@H](C)C[N@@H+](CC)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459354640 535509948 /nfs/dbraw/zinc/50/99/48/535509948.db2.gz JGZVRRZQOGDROJ-GFCCVEGCSA-N 1 1 275.352 3.334 20 30 CGEDMO CC[C@@H]1CCC[N@H+]1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000727823741 571771154 /nfs/dbraw/zinc/77/11/54/571771154.db2.gz CEBFVWKJGLWHNF-MRXNPFEDSA-N 1 1 280.375 3.254 20 30 CGEDMO C=CC[N@H+](CN1C[C@@H](c2ccccc2C)CC1=O)C(C)C ZINC000728196366 571794689 /nfs/dbraw/zinc/79/46/89/571794689.db2.gz QKRLCQQVGKYJGW-INIZCTEOSA-N 1 1 286.419 3.165 20 30 CGEDMO C=CC[N@@H+](CN1C[C@@H](c2ccccc2C)CC1=O)C(C)C ZINC000728196366 571794692 /nfs/dbraw/zinc/79/46/92/571794692.db2.gz QKRLCQQVGKYJGW-INIZCTEOSA-N 1 1 286.419 3.165 20 30 CGEDMO C=C(C)C[N@H+](CCC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000729485315 571920902 /nfs/dbraw/zinc/92/09/02/571920902.db2.gz ZRGAOZHPRHFXEC-AWEZNQCLSA-N 1 1 282.428 3.284 20 30 CGEDMO C=CCc1cc(OCC)cc(C[N@H+]2CC[C@H](C)C2)c1O ZINC000725778720 572399854 /nfs/dbraw/zinc/39/98/54/572399854.db2.gz OLLPVRMUSNBLAC-ZDUSSCGKSA-N 1 1 275.392 3.361 20 30 CGEDMO C=CCN(C(=O)NC[C@@H]1CCCC[N@@H+]1CCCC)C(C)C ZINC000731283271 572405790 /nfs/dbraw/zinc/40/57/90/572405790.db2.gz GWKPIHCUHRTOPA-INIZCTEOSA-N 1 1 295.471 3.247 20 30 CGEDMO C[N@@H+](CCOc1ccccc1C#N)CCc1ccccc1F ZINC000731671895 572420702 /nfs/dbraw/zinc/42/07/02/572420702.db2.gz ZPZFJUZXKZVYIW-UHFFFAOYSA-N 1 1 298.361 3.251 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)CCC(=O)Nc1ccc(F)cc1 ZINC000725842785 572436369 /nfs/dbraw/zinc/43/63/69/572436369.db2.gz USXMGTWNSXCIJR-UHFFFAOYSA-N 1 1 291.370 3.026 20 30 CGEDMO C=CCCOC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000740243701 572437608 /nfs/dbraw/zinc/43/76/08/572437608.db2.gz AOZDNAWEUPFXJO-OAHLLOKOSA-N 1 1 261.365 3.189 20 30 CGEDMO CCCCCCCC[N@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000740874648 572463544 /nfs/dbraw/zinc/46/35/44/572463544.db2.gz YBRSDWCZGQWVPW-HNNXBMFYSA-N 1 1 266.429 3.090 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000740877415 572465029 /nfs/dbraw/zinc/46/50/29/572465029.db2.gz MKBFVADKAONZSE-LBPRGKRZSA-N 1 1 294.361 3.052 20 30 CGEDMO CCCCCCCCC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000741722888 572520476 /nfs/dbraw/zinc/52/04/76/572520476.db2.gz TYRRQOQVRUOVPM-GJZGRUSLSA-N 1 1 268.445 3.336 20 30 CGEDMO COc1ccc(C[NH2+][C@H](C)c2csc(C)n2)cc1C#N ZINC000742370030 572568269 /nfs/dbraw/zinc/56/82/69/572568269.db2.gz NWUDUPZGMCHUAF-SNVBAGLBSA-N 1 1 287.388 3.183 20 30 CGEDMO C#CC[N@H+](CC(=O)N1CCCC[C@@H]1CC)C1CCCCC1 ZINC000744213825 572724154 /nfs/dbraw/zinc/72/41/54/572724154.db2.gz KSYCCTMUYQMYQR-INIZCTEOSA-N 1 1 290.451 3.045 20 30 CGEDMO CCCCCCCCC(=O)NCC[N@H+]1CCC[C@H]1C ZINC000744345918 572745472 /nfs/dbraw/zinc/74/54/72/572745472.db2.gz UMAPIJJYTVFFBY-OAHLLOKOSA-N 1 1 268.445 3.338 20 30 CGEDMO C#CC[N@@H+](CN1CC2(CCCC2)CC1=O)C1CCCCC1 ZINC000747454580 572929899 /nfs/dbraw/zinc/92/98/99/572929899.db2.gz QEBAIWMQELFSJM-UHFFFAOYSA-N 1 1 288.435 3.005 20 30 CGEDMO C#CC[N@H+](CN1CC2(CCCC2)CC1=O)C1CCCCC1 ZINC000747454580 572929902 /nfs/dbraw/zinc/92/99/02/572929902.db2.gz QEBAIWMQELFSJM-UHFFFAOYSA-N 1 1 288.435 3.005 20 30 CGEDMO C=CCC[N@H+](C)Cn1cc(C(C)C)n(C)c1=S ZINC000786102277 628914199 /nfs/dbraw/zinc/91/41/99/628914199.db2.gz VGBUWQRKWGJXFP-UHFFFAOYSA-N 1 1 253.415 3.145 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CC)C1 ZINC000963345578 613240674 /nfs/dbraw/zinc/24/06/74/613240674.db2.gz HBVCJSSKJCFTRB-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]2CC)CC1 ZINC000981896305 613253770 /nfs/dbraw/zinc/25/37/70/613253770.db2.gz KQZMULDTHWNXQS-IAGOWNOFSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H]2CCC[C@@H]2CC)CC1 ZINC000981896306 613254002 /nfs/dbraw/zinc/25/40/02/613254002.db2.gz KQZMULDTHWNXQS-IRXDYDNUSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCC)C1 ZINC000963244822 613256658 /nfs/dbraw/zinc/25/66/58/613256658.db2.gz QVHSTVHZZLAPLA-DLBZAZTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cccs2)[C@@H](C)C1 ZINC000941773639 613272555 /nfs/dbraw/zinc/27/25/55/613272555.db2.gz WUXUXSUADIZYIF-KBPBESRZSA-N 1 1 292.448 3.155 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2cccs2)C(C)(C)C1 ZINC000972771356 613274309 /nfs/dbraw/zinc/27/43/09/613274309.db2.gz MWPPWKCKWMEHKF-CQSZACIVSA-N 1 1 292.448 3.155 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC000971591730 613284863 /nfs/dbraw/zinc/28/48/63/613284863.db2.gz JEYMKICYKNMOJC-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)C2CCCC2)C1 ZINC000971692664 613287937 /nfs/dbraw/zinc/28/79/37/613287937.db2.gz DWMHABCZKACARA-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)C2CCCCCCC2)C1 ZINC000971914443 613288465 /nfs/dbraw/zinc/28/84/65/613288465.db2.gz KCRJIKVZFCPDFT-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@H+]1CCCC2(CN(C(=O)CCC3CCC3)C2)C1 ZINC000981698144 613304895 /nfs/dbraw/zinc/30/48/95/613304895.db2.gz SNBKICIWZUWZNL-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@H+]1CCCC2(CN(C(=O)CC3CCCC3)C2)C1 ZINC000981595443 613305011 /nfs/dbraw/zinc/30/50/11/613305011.db2.gz OYSDNLFCNLXSQL-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC000969054551 613306720 /nfs/dbraw/zinc/30/67/20/613306720.db2.gz UKRBHZHXRMDTNN-HOTGVXAUSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)C(C)(C)C2CC2)CC1 ZINC000948697260 613313907 /nfs/dbraw/zinc/31/39/07/613313907.db2.gz JCXZJZPAHXNVTK-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2(F)CCCCC2)[C@@H](C)C1 ZINC000943985797 613326813 /nfs/dbraw/zinc/32/68/13/613326813.db2.gz AJCAFXFQPFQWJN-LSDHHAIUSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2csc(C)c2)[C@@H](C)C1 ZINC000943644914 613331485 /nfs/dbraw/zinc/33/14/85/613331485.db2.gz BGFDVMJLLRXCKI-SWLSCSKDSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2CC3(CCC3)C2)C[C@H]1C ZINC000947624938 613334855 /nfs/dbraw/zinc/33/48/55/613334855.db2.gz ONFQPYOZJXGLJL-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C=C2CCCCC2)[C@H](C)C1 ZINC000941873860 613334925 /nfs/dbraw/zinc/33/49/25/613334925.db2.gz IWYXFDNKPRWKMW-WBVHZDCISA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccsc2C)[C@@H](C)C1 ZINC000942030891 613336399 /nfs/dbraw/zinc/33/63/99/613336399.db2.gz DJUNMJFCQLKYPX-WFASDCNBSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C=C2CCCCC2)C(C)(C)C1 ZINC000972846468 613337433 /nfs/dbraw/zinc/33/74/33/613337433.db2.gz QJWFRCDLFLYUTN-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)C=C(C)C)C2)C1 ZINC000961106367 613337477 /nfs/dbraw/zinc/33/74/77/613337477.db2.gz BUMIGWAVMAMTOL-IRXDYDNUSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C2(F)CCCCC2)C(C)(C)C1 ZINC000977421896 613337566 /nfs/dbraw/zinc/33/75/66/613337566.db2.gz QDLXZRNJLACGEO-CQSZACIVSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)/C(C)=C/C)C2)C1 ZINC000961144727 613337663 /nfs/dbraw/zinc/33/76/63/613337663.db2.gz WASYSDJJZXAGNG-LKNSVJLYSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C(C)(C)C2CCC2)C(C)(C)C1 ZINC000974868294 613337675 /nfs/dbraw/zinc/33/76/75/613337675.db2.gz JASWMCDBAJSEDV-OAHLLOKOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)C2=CCCCCC2)C1 ZINC000971404304 613369617 /nfs/dbraw/zinc/36/96/17/613369617.db2.gz SXBKQGMXRQCXJC-HNNXBMFYSA-N 1 1 296.842 3.162 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)C2=CCCCCC2)C1 ZINC000971404304 613369618 /nfs/dbraw/zinc/36/96/18/613369618.db2.gz SXBKQGMXRQCXJC-HNNXBMFYSA-N 1 1 296.842 3.162 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC000972272516 613370167 /nfs/dbraw/zinc/37/01/67/613370167.db2.gz QCDTUZVKRGECAT-KBPBESRZSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC000972272516 613370168 /nfs/dbraw/zinc/37/01/68/613370168.db2.gz QCDTUZVKRGECAT-KBPBESRZSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CC(=C)C)C1)c1ccccc1 ZINC000980463201 613441169 /nfs/dbraw/zinc/44/11/69/613441169.db2.gz UGMREJFISQHECO-QZTJIDSGSA-N 1 1 298.430 3.065 20 30 CGEDMO C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC=CCC1 ZINC000968744395 613491033 /nfs/dbraw/zinc/49/10/33/613491033.db2.gz IILXSSNJVLKTEY-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)c2cccs2)CC1 ZINC000948158860 613500293 /nfs/dbraw/zinc/50/02/93/613500293.db2.gz CCMBHBLCUKRHGI-CQSZACIVSA-N 1 1 292.448 3.251 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC=CCC2)CC1 ZINC000948169691 613501031 /nfs/dbraw/zinc/50/10/31/613501031.db2.gz PXBFNAGWUJEXKG-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)CC2=CCCCC2)C[C@H]1C ZINC000947142290 613520159 /nfs/dbraw/zinc/52/01/59/613520159.db2.gz AQYGVXFPRLFKOZ-NVXWUHKLSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)CC2=CCCCC2)[C@H](C)C1 ZINC000941900253 613520179 /nfs/dbraw/zinc/52/01/79/613520179.db2.gz QYUDQAKXAOEASY-NVXWUHKLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)C2CCCCC2)C(C)(C)C1 ZINC000940542273 613520199 /nfs/dbraw/zinc/52/01/99/613520199.db2.gz CTMDTJZSEKMKPF-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC2(C)C)C(C)(C)C1 ZINC000940965112 613522782 /nfs/dbraw/zinc/52/27/82/613522782.db2.gz JWLATVIGIQJYNM-LSDHHAIUSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccsc2C)[C@H](C)C1 ZINC000942034353 613525785 /nfs/dbraw/zinc/52/57/85/613525785.db2.gz WWMCNMDBYYCOEA-IUODEOHRSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2occc2CC)C[C@@H]1C ZINC000947690460 613528210 /nfs/dbraw/zinc/52/82/10/613528210.db2.gz WXRDIWDIYXUFBB-DZGCQCFKSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)c2cc(C)cs2)[C@@H](C)C1 ZINC000942030504 613537931 /nfs/dbraw/zinc/53/79/31/613537931.db2.gz YJMUOCDSUCUCFJ-KBPBESRZSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC)o2)C[C@H]1C ZINC000947460527 613538283 /nfs/dbraw/zinc/53/82/83/613538283.db2.gz VGCOVYYBGYFORV-KGLIPLIRSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)c2csc(C)c2)[C@H](C)C1 ZINC000943647771 613541748 /nfs/dbraw/zinc/54/17/48/613541748.db2.gz RENTYYGPOOYUQS-DOMZBBRYSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)c2cscc2C)[C@@H](C)C1 ZINC000941905028 613542187 /nfs/dbraw/zinc/54/21/87/613542187.db2.gz VYWMBLGMEHKPFR-WFASDCNBSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)CC2CCCC2)C1 ZINC000972471220 613616911 /nfs/dbraw/zinc/61/69/11/613616911.db2.gz CJVOAZSOVDGNQO-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccccc2C2(C)CC2)C1 ZINC000972315625 613622290 /nfs/dbraw/zinc/62/22/90/613622290.db2.gz DGBYTANWRQUJEQ-OAHLLOKOSA-N 1 1 298.430 3.070 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CCCC(C)(C)C2)C1 ZINC000972732201 613628084 /nfs/dbraw/zinc/62/80/84/613628084.db2.gz ISXUBKATXHJBQP-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC(C)(C)C)C1 ZINC000963251533 613703594 /nfs/dbraw/zinc/70/35/94/613703594.db2.gz QCQWNOOFEBFTOI-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccc(C3CC3)cc2)C1 ZINC000968674453 613734295 /nfs/dbraw/zinc/73/42/95/613734295.db2.gz QXLDPWNPMLVAMW-RDTXWAMCSA-N 1 1 298.430 3.190 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C2(C3CCC3)CCC2)C[C@H]1C ZINC000947579412 613740862 /nfs/dbraw/zinc/74/08/62/613740862.db2.gz AUQFADHEYSDHEF-GDBMZVCRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C(C)(C)C1 ZINC000941046707 613746265 /nfs/dbraw/zinc/74/62/65/613746265.db2.gz JUPSVHSKTXDWNH-BZUAXINKSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C(C)=C2CCCC2)C(C)(C)C1 ZINC000940664931 613779766 /nfs/dbraw/zinc/77/97/66/613779766.db2.gz PIVZYAQKCMXIAE-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cc(C)c(C)s2)C[C@H]1C ZINC000948013227 613787309 /nfs/dbraw/zinc/78/73/09/613787309.db2.gz UMZZVAODCVKCQY-OCCSQVGLSA-N 1 1 292.448 3.134 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2)C[C@@H]1C ZINC000947956331 613790855 /nfs/dbraw/zinc/79/08/55/613790855.db2.gz BRLGXFDMWSRGLN-WFASDCNBSA-N 1 1 292.810 3.109 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2csc(Cl)c2)C(C)(C)C1 ZINC000975105445 613812865 /nfs/dbraw/zinc/81/28/65/613812865.db2.gz CHODQWPYFCEFOY-LLVKDONJSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2occc2C(C)C)C(C)(C)C1 ZINC000974954723 613830073 /nfs/dbraw/zinc/83/00/73/613830073.db2.gz FRCXKMKNKJOSSM-AWEZNQCLSA-N 1 1 290.407 3.029 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc([C@@H](C)CC)cc1 ZINC000962813241 613842354 /nfs/dbraw/zinc/84/23/54/613842354.db2.gz OMCQEZXNGSDWGF-VIBAHUMZSA-N 1 1 298.430 3.046 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC2(C)CC2)C1 ZINC001021634120 618077629 /nfs/dbraw/zinc/07/76/29/618077629.db2.gz WZPGDHQSFCYODD-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccccc2F)no1 ZINC000900016123 620746690 /nfs/dbraw/zinc/74/66/90/620746690.db2.gz JFEITEKZNKGDMV-LBPRGKRZSA-N 1 1 261.300 3.232 20 30 CGEDMO C#CC[N@@H+](Cc1ccnc(Br)c1)C(C)(C)C ZINC000932462034 617763648 /nfs/dbraw/zinc/76/36/48/617763648.db2.gz NQUCYFKTRPDODB-UHFFFAOYSA-N 1 1 281.197 3.078 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CCC2)C1 ZINC001021493309 618012345 /nfs/dbraw/zinc/01/23/45/618012345.db2.gz QWVCIBNJFWEMFH-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)/C(C)=C/C)C1 ZINC001021555346 618039461 /nfs/dbraw/zinc/03/94/61/618039461.db2.gz UBWSIQMXTUJXAB-KZIQZQBPSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(F)=C(C)C)C1 ZINC001021564673 618046218 /nfs/dbraw/zinc/04/62/18/618046218.db2.gz ZYAPAZSJIZMZGZ-CABCVRRESA-N 1 1 294.414 3.139 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCN(C)C[C@H]1CC(C)C ZINC000933257095 618176002 /nfs/dbraw/zinc/17/60/02/618176002.db2.gz TUOPUSUQOFCZHE-QGZVFWFLSA-N 1 1 264.457 3.232 20 30 CGEDMO Cc1cnc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)nc1 ZINC000933608851 618252786 /nfs/dbraw/zinc/25/27/86/618252786.db2.gz DLPXAJIHMFXUMS-UHFFFAOYSA-N 1 1 292.386 3.036 20 30 CGEDMO C=CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000121627994 618376630 /nfs/dbraw/zinc/37/66/30/618376630.db2.gz ZWTWRFFOWMFBQZ-CYBMUJFWSA-N 1 1 268.360 3.285 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)C(=O)Nc1ccc2ccccc2c1 ZINC000121627994 618376641 /nfs/dbraw/zinc/37/66/41/618376641.db2.gz ZWTWRFFOWMFBQZ-CYBMUJFWSA-N 1 1 268.360 3.285 20 30 CGEDMO Cc1cc(F)c(C#N)c(NC[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000892080998 618522366 /nfs/dbraw/zinc/52/23/66/618522366.db2.gz SSGMKTDIKBDWGF-CYBMUJFWSA-N 1 1 275.371 3.148 20 30 CGEDMO COc1ccc(C[N@H+](C[C@H](C)C#N)C2CC2)c(C)c1 ZINC000892194962 618585000 /nfs/dbraw/zinc/58/50/00/618585000.db2.gz KJMUUMMZNUPGQO-GFCCVEGCSA-N 1 1 258.365 3.128 20 30 CGEDMO COc1ccc(C[N@@H+](C[C@H](C)C#N)C2CC2)c(C)c1 ZINC000892194962 618585005 /nfs/dbraw/zinc/58/50/05/618585005.db2.gz KJMUUMMZNUPGQO-GFCCVEGCSA-N 1 1 258.365 3.128 20 30 CGEDMO C[C@H]1CSCCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000934305896 618585650 /nfs/dbraw/zinc/58/56/50/618585650.db2.gz LCOWPDDZLZQTKV-NSHDSACASA-N 1 1 264.369 3.025 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1cncn1Cc1ccccc1 ZINC000934462272 618624109 /nfs/dbraw/zinc/62/41/09/618624109.db2.gz RIHPAANDYCSYGB-INIZCTEOSA-N 1 1 267.376 3.082 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1ccn(-c2ccccc2)n1 ZINC000934468783 618626131 /nfs/dbraw/zinc/62/61/31/618626131.db2.gz JFHOEPIMJLSQBN-OAHLLOKOSA-N 1 1 253.349 3.023 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1ccn(-c2ccccc2)n1 ZINC000934468783 618626135 /nfs/dbraw/zinc/62/61/35/618626135.db2.gz JFHOEPIMJLSQBN-OAHLLOKOSA-N 1 1 253.349 3.023 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000934473673 618628694 /nfs/dbraw/zinc/62/86/94/618628694.db2.gz ZXDSQMNYJVLRSS-GXTWGEPZSA-N 1 1 269.348 3.448 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000934473673 618628698 /nfs/dbraw/zinc/62/86/98/618628698.db2.gz ZXDSQMNYJVLRSS-GXTWGEPZSA-N 1 1 269.348 3.448 20 30 CGEDMO CC(C)OC(=O)C(C)(C)[NH2+]CCCCC1(C#N)CCC1 ZINC000934819967 618696707 /nfs/dbraw/zinc/69/67/07/618696707.db2.gz ANBXRHOBAONDAX-UHFFFAOYSA-N 1 1 280.412 3.170 20 30 CGEDMO C=C(C)c1cccc(NC(=O)NCC2=CC[N@@H+](C)CC2)c1 ZINC000934881153 618708682 /nfs/dbraw/zinc/70/86/82/618708682.db2.gz WZSWTOSVNIHVGT-UHFFFAOYSA-N 1 1 285.391 3.103 20 30 CGEDMO CC[C@@H](C)[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000179324550 618775795 /nfs/dbraw/zinc/77/57/95/618775795.db2.gz WWGBHKSLSNEMLK-CQSZACIVSA-N 1 1 259.397 3.267 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC000177097419 618794891 /nfs/dbraw/zinc/79/48/91/618794891.db2.gz QIYKOMXLWHLMSZ-OKILXGFUSA-N 1 1 258.365 3.200 20 30 CGEDMO C[C@@H](CC(C)(C)C#N)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000926707791 618832567 /nfs/dbraw/zinc/83/25/67/618832567.db2.gz VEKSXEJOJZLAMV-LSDHHAIUSA-N 1 1 277.456 3.311 20 30 CGEDMO C[C@@H](CC(C)(C)C#N)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000926707791 618832569 /nfs/dbraw/zinc/83/25/69/618832569.db2.gz VEKSXEJOJZLAMV-LSDHHAIUSA-N 1 1 277.456 3.311 20 30 CGEDMO C[C@H](O[NH+]=C(N)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000178138897 618858758 /nfs/dbraw/zinc/85/87/58/618858758.db2.gz FJEALHFNWNRMTR-JTQLQIEISA-N 1 1 277.324 3.135 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000309544868 618924629 /nfs/dbraw/zinc/92/46/29/618924629.db2.gz ZKOXYZIODTUOAV-UHFFFAOYSA-N 1 1 261.108 3.090 20 30 CGEDMO C=CC[C@@H]([NH2+]Cc1c(Cl)c(C)nn1C)c1ccncc1 ZINC000892972288 618967579 /nfs/dbraw/zinc/96/75/79/618967579.db2.gz ILGSYBIYHOEJNE-CYBMUJFWSA-N 1 1 290.798 3.184 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1cccc(OCC)c1OCCC ZINC000775184482 619006435 /nfs/dbraw/zinc/00/64/35/619006435.db2.gz WUCSAGTUBWKCIL-AWEZNQCLSA-N 1 1 275.392 3.328 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1cccc(OCC)c1OCCC ZINC000775184482 619006436 /nfs/dbraw/zinc/00/64/36/619006436.db2.gz WUCSAGTUBWKCIL-AWEZNQCLSA-N 1 1 275.392 3.328 20 30 CGEDMO CC[C@@H]1CC[C@@H](C)[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000312573374 619092308 /nfs/dbraw/zinc/09/23/08/619092308.db2.gz LWWOZDAICBYSDK-CPUCHLNUSA-N 1 1 272.392 3.102 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](C[C@H]2CCCC3(CCC3)O2)C1 ZINC000930923452 619093093 /nfs/dbraw/zinc/09/30/93/619093093.db2.gz HZLPVYUPOFMCCI-HUUCEWRRSA-N 1 1 262.397 3.104 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C(F)(F)F)nn1C ZINC000931061885 619108232 /nfs/dbraw/zinc/10/82/32/619108232.db2.gz FLQBUKVXIZBPSM-PHIMTYICSA-N 1 1 285.313 3.122 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C(F)(F)F)nn1C ZINC000931061885 619108234 /nfs/dbraw/zinc/10/82/34/619108234.db2.gz FLQBUKVXIZBPSM-PHIMTYICSA-N 1 1 285.313 3.122 20 30 CGEDMO C=CC[N@@H+](Cc1cnc(CC(F)(F)F)s1)C1CC1 ZINC000893559992 619223470 /nfs/dbraw/zinc/22/34/70/619223470.db2.gz TUBCEYLXFGEJBD-UHFFFAOYSA-N 1 1 276.327 3.398 20 30 CGEDMO C=CC[N@H+](Cc1cnc(CC(F)(F)F)s1)C1CC1 ZINC000893559992 619223471 /nfs/dbraw/zinc/22/34/71/619223471.db2.gz TUBCEYLXFGEJBD-UHFFFAOYSA-N 1 1 276.327 3.398 20 30 CGEDMO C[C@H]1C[C@H](Nc2nc3ccccc3cc2C#N)CC[N@H+]1C ZINC000094267076 619242790 /nfs/dbraw/zinc/24/27/90/619242790.db2.gz KDSRDVQMUZQDOT-SWLSCSKDSA-N 1 1 280.375 3.001 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931920640 619275281 /nfs/dbraw/zinc/27/52/81/619275281.db2.gz ZTHJVNGKJDWBCO-WDEREUQCSA-N 1 1 263.278 3.155 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000932150235 619304365 /nfs/dbraw/zinc/30/43/65/619304365.db2.gz AARULIBNOAHQGK-GDBMZVCRSA-N 1 1 254.377 3.342 20 30 CGEDMO C=CCOCC[N@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000932190155 619308236 /nfs/dbraw/zinc/30/82/36/619308236.db2.gz LBOXAEJGRILALY-ZDUSSCGKSA-N 1 1 292.448 3.014 20 30 CGEDMO C#C[C@H]([NH2+][C@@H]1COC2(CCC2)C1)c1ccc(Cl)cc1F ZINC000894406416 619522628 /nfs/dbraw/zinc/52/26/28/619522628.db2.gz LZZMSVBWFFRREK-WFASDCNBSA-N 1 1 293.769 3.455 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)cs1 ZINC000894485017 619551170 /nfs/dbraw/zinc/55/11/70/619551170.db2.gz JQLLLCFGNOXTIO-ZIAGYGMSSA-N 1 1 290.432 3.258 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000894534049 619566033 /nfs/dbraw/zinc/56/60/33/619566033.db2.gz WXKGXOHAEBKMDL-NSHDSACASA-N 1 1 292.370 3.043 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)N2c1[nH+]cnc2[nH]cc(CC)c21 ZINC000894611059 619588829 /nfs/dbraw/zinc/58/88/29/619588829.db2.gz SOXJDKVGTUJNEB-BETUJISGSA-N 1 1 268.364 3.208 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1cccc2c1CCOC2)c1ccc(F)cc1 ZINC000894815718 619641435 /nfs/dbraw/zinc/64/14/35/619641435.db2.gz BACSCBRFVMUUGQ-LJQANCHMSA-N 1 1 295.357 3.363 20 30 CGEDMO CC[C@@H](C)CO[NH+]=Cc1cnc(N(CC)CC)s1 ZINC000793146044 619688835 /nfs/dbraw/zinc/68/88/35/619688835.db2.gz OMFBQFVTVLLZGC-LLVKDONJSA-N 1 1 269.414 3.386 20 30 CGEDMO C[C@@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000895378531 619816589 /nfs/dbraw/zinc/81/65/89/619816589.db2.gz QVGAGRMWOCXXES-MAUKXSAKSA-N 1 1 285.435 3.110 20 30 CGEDMO C[C@@H](C[NH+](C)C)[C@H]1CCCCN1Cc1ccc(C#N)cc1 ZINC000895378531 619816591 /nfs/dbraw/zinc/81/65/91/619816591.db2.gz QVGAGRMWOCXXES-MAUKXSAKSA-N 1 1 285.435 3.110 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(OC)c(OC)c2F)C1 ZINC000895390123 619819760 /nfs/dbraw/zinc/81/97/60/619819760.db2.gz RRUBAMUEQFRMJX-GFCCVEGCSA-N 1 1 279.355 3.241 20 30 CGEDMO Cc1coc(C[N@@H+](C)CCc2cccc(C#N)c2)c1 ZINC000895450790 619832019 /nfs/dbraw/zinc/83/20/19/619832019.db2.gz COXYQDKCDJZASA-UHFFFAOYSA-N 1 1 254.333 3.134 20 30 CGEDMO C[C@H](CCC#N)CN1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000895551275 619848333 /nfs/dbraw/zinc/84/83/33/619848333.db2.gz HRZGWCDQXUHJKK-SJORKVTESA-N 1 1 285.435 3.305 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@H](CF)C2)cc1 ZINC000895546654 619848743 /nfs/dbraw/zinc/84/87/43/619848743.db2.gz RXWBICONPRQSCP-INIZCTEOSA-N 1 1 289.398 3.218 20 30 CGEDMO C[C@@H]1[C@@H](Nc2cccc(C(F)F)c2C#N)CC[N@H+]1C ZINC000895735932 619879795 /nfs/dbraw/zinc/87/97/95/619879795.db2.gz INECXDCLYGJVMI-SKDRFNHKSA-N 1 1 265.307 3.000 20 30 CGEDMO C#CC[NH+]1CCC(Nc2cccc(Cl)c2C(C)=O)CC1 ZINC000895811098 619888385 /nfs/dbraw/zinc/88/83/85/619888385.db2.gz DTRXQAVQGOQTOI-UHFFFAOYSA-N 1 1 290.794 3.052 20 30 CGEDMO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC[C@H](C#N)C1 ZINC000788020171 620164578 /nfs/dbraw/zinc/16/45/78/620164578.db2.gz OIGSLKDMBHFWLO-CMPLNLGQSA-N 1 1 293.754 3.372 20 30 CGEDMO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC[C@H](C#N)C1 ZINC000788020171 620164580 /nfs/dbraw/zinc/16/45/80/620164580.db2.gz OIGSLKDMBHFWLO-CMPLNLGQSA-N 1 1 293.754 3.372 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CCC([N@@H+](C)CC2CC2)CC1 ZINC000985452882 620192258 /nfs/dbraw/zinc/19/22/58/620192258.db2.gz VZSGRWXWGOKLJU-UHFFFAOYSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC([N@@H+](C)CCC2CC2)CC1 ZINC000985621989 620222221 /nfs/dbraw/zinc/22/22/21/620222221.db2.gz XHAJONPEBGIRIP-SFHVURJKSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC([N@@H+](C)CCC2CC2)CC1 ZINC000985621986 620222580 /nfs/dbraw/zinc/22/25/80/620222580.db2.gz XHAJONPEBGIRIP-GOSISDBHSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCCC[C@@H]2CC)CC1 ZINC000985726200 620232615 /nfs/dbraw/zinc/23/26/15/620232615.db2.gz WXAPQDDMUPPYGM-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc(Cl)cc1 ZINC000785998848 620393244 /nfs/dbraw/zinc/39/32/44/620393244.db2.gz OMHOHRPOJSXDLX-HUUCEWRRSA-N 1 1 265.784 3.414 20 30 CGEDMO N#Cc1ccc([C@@H]2C[N@@H+](C[C@@H]3CC=CCC3)CCO2)cc1 ZINC000897590749 620405539 /nfs/dbraw/zinc/40/55/39/620405539.db2.gz AFLGLYCDRZJPEZ-AEFFLSMTSA-N 1 1 282.387 3.288 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)c2cccc(C(C)C)c2)CC1 ZINC000989410327 620409561 /nfs/dbraw/zinc/40/95/61/620409561.db2.gz DZTJPNIIQOFKQH-UHFFFAOYSA-N 1 1 286.419 3.144 20 30 CGEDMO CCCc1cccc(C[NH2+]Cc2nc(C#N)cs2)c1 ZINC000897629623 620414315 /nfs/dbraw/zinc/41/43/15/620414315.db2.gz WGPLKRUEJVHIHE-UHFFFAOYSA-N 1 1 271.389 3.257 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1cn(C)nc1-c1ccncc1 ZINC000898245408 620496680 /nfs/dbraw/zinc/49/66/80/620496680.db2.gz CDWCNQYJUOSDOL-UHFFFAOYSA-N 1 1 284.407 3.270 20 30 CGEDMO C=C(Cl)C[N@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000084496749 620521609 /nfs/dbraw/zinc/52/16/09/620521609.db2.gz CFQWTXAZEBNBRI-HNNXBMFYSA-N 1 1 265.784 3.073 20 30 CGEDMO C=C(Cl)C[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000084496749 620521613 /nfs/dbraw/zinc/52/16/13/620521613.db2.gz CFQWTXAZEBNBRI-HNNXBMFYSA-N 1 1 265.784 3.073 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)c3cccc(C)c3)CCC[C@H]12 ZINC000989911828 620531636 /nfs/dbraw/zinc/53/16/36/620531636.db2.gz CAMNCNLSMPNGDW-PKOBYXMFSA-N 1 1 298.430 3.298 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)C3CCCCC3)CCC[C@@H]12 ZINC000989918748 620532127 /nfs/dbraw/zinc/53/21/27/620532127.db2.gz DJKRTQXOQHGBEY-AEFFLSMTSA-N 1 1 290.451 3.256 20 30 CGEDMO Cc1ccc(C[NH2+][C@@H](C)c2cc3n(n2)CCCC3)cc1C#N ZINC000926961029 620555470 /nfs/dbraw/zinc/55/54/70/620555470.db2.gz HWIWNRJKOPSSLR-AWEZNQCLSA-N 1 1 294.402 3.250 20 30 CGEDMO C=CC(C)(C)[NH2+]Cc1nc2ccccn2c1Br ZINC000898460161 620590020 /nfs/dbraw/zinc/59/00/20/620590020.db2.gz FPZHQXAFNVEHQJ-UHFFFAOYSA-N 1 1 294.196 3.151 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000898516023 620595180 /nfs/dbraw/zinc/59/51/80/620595180.db2.gz KHMICLPPUHLRMJ-LSDHHAIUSA-N 1 1 290.432 3.258 20 30 CGEDMO CC#CC[NH2+]Cc1cc(-c2ccccc2OC(F)F)no1 ZINC000901395199 620874044 /nfs/dbraw/zinc/87/40/44/620874044.db2.gz JQIPCCNZKZFTRE-UHFFFAOYSA-N 1 1 292.285 3.056 20 30 CGEDMO C=CCc1ccc(OCCCc2c[nH+]cn2C)c(OC)c1 ZINC000902162559 621167709 /nfs/dbraw/zinc/16/77/09/621167709.db2.gz LPQWATRXPBEIKD-UHFFFAOYSA-N 1 1 286.375 3.169 20 30 CGEDMO CC(C)C[N@@H+](CCO[C@@H](C)C#N)CCc1ccccc1 ZINC000801915197 621335664 /nfs/dbraw/zinc/33/56/64/621335664.db2.gz IOWBJJQIQHADQB-INIZCTEOSA-N 1 1 274.408 3.116 20 30 CGEDMO COc1ccccc1[C@H](C)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902726695 621414616 /nfs/dbraw/zinc/41/46/16/621414616.db2.gz TUZFTDIRLJAZGC-QWHCGFSZSA-N 1 1 281.359 3.374 20 30 CGEDMO CC[C@@H](NC1CC[NH+](CC2CC2)CC1)c1cccc(C#N)c1 ZINC000902755480 621426543 /nfs/dbraw/zinc/42/65/43/621426543.db2.gz POHBTDATSWJHLG-LJQANCHMSA-N 1 1 297.446 3.473 20 30 CGEDMO CC[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1cccc(C#N)c1 ZINC000902755480 621426544 /nfs/dbraw/zinc/42/65/44/621426544.db2.gz POHBTDATSWJHLG-LJQANCHMSA-N 1 1 297.446 3.473 20 30 CGEDMO CCc1nnc([C@H](C)[NH2+][C@H](CC)c2cccc(C#N)c2)[nH]1 ZINC000902889730 621487313 /nfs/dbraw/zinc/48/73/13/621487313.db2.gz PXHCCPYLTUPBJT-SMDDNHRTSA-N 1 1 283.379 3.041 20 30 CGEDMO Cc1nn(CCC#N)c(C)c1OCc1c(C)cc(C)[nH+]c1C ZINC000902913525 621495740 /nfs/dbraw/zinc/49/57/40/621495740.db2.gz UMGQTBXYEIADJG-UHFFFAOYSA-N 1 1 298.390 3.313 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H](F)C1 ZINC000902999068 621523932 /nfs/dbraw/zinc/52/39/32/621523932.db2.gz VAZWHXZISLSOCK-AWEZNQCLSA-N 1 1 260.356 3.422 20 30 CGEDMO CCc1nc(C[NH2+][C@H](CC)c2cccc(C#N)c2)co1 ZINC000903013166 621533990 /nfs/dbraw/zinc/53/39/90/621533990.db2.gz XVUSFXYLAXBRJR-OAHLLOKOSA-N 1 1 269.348 3.350 20 30 CGEDMO CC(C)[C@@H]([NH2+]CC1(C#N)CCC1)c1ccc(F)cn1 ZINC000903032182 621534978 /nfs/dbraw/zinc/53/49/78/621534978.db2.gz FRWZGNSHNUGVMP-CQSZACIVSA-N 1 1 261.344 3.201 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CCC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000903032147 621535071 /nfs/dbraw/zinc/53/50/71/621535071.db2.gz QQKAPLKXZUCXSS-GFCCVEGCSA-N 1 1 297.402 3.261 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CCC1)c1ccc(C#N)c(F)c1 ZINC000903032226 621535482 /nfs/dbraw/zinc/53/54/82/621535482.db2.gz GNJXBJPFSCYCQA-NSHDSACASA-N 1 1 257.312 3.042 20 30 CGEDMO COc1ccc2c(c1F)CC[C@H]2[NH2+]CC1(C#N)CCC1 ZINC000903035947 621537640 /nfs/dbraw/zinc/53/76/40/621537640.db2.gz XENZIDMBNRBEDN-CYBMUJFWSA-N 1 1 274.339 3.105 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CCCC1)c1ccc([S@@](C)=O)cc1 ZINC000903109594 621582636 /nfs/dbraw/zinc/58/26/36/621582636.db2.gz SCELXISNUNESMB-RNODOKPDSA-N 1 1 290.432 3.159 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CCCC1)c1cccc(C#N)c1 ZINC000903109749 621583403 /nfs/dbraw/zinc/58/34/03/621583403.db2.gz UJAQENKSUAEMFA-ZDUSSCGKSA-N 1 1 253.349 3.293 20 30 CGEDMO CCc1ccc([C@H](C)[NH2+]Cc2nc(C#N)cs2)s1 ZINC000903270009 621656493 /nfs/dbraw/zinc/65/64/93/621656493.db2.gz UDPCXMDGKAHQCY-VIFPVBQESA-N 1 1 277.418 3.489 20 30 CGEDMO C[C@@H](NCC[N@@H+]1CCC(C)(C)C1)c1ccc(C#N)c(F)c1 ZINC000903344996 621698443 /nfs/dbraw/zinc/69/84/43/621698443.db2.gz UBGXBYOYSNTHRZ-CYBMUJFWSA-N 1 1 289.398 3.080 20 30 CGEDMO C[C@@H](NCC[N@H+]1CCC(C)(C)C1)c1ccc(C#N)c(F)c1 ZINC000903344996 621698446 /nfs/dbraw/zinc/69/84/46/621698446.db2.gz UBGXBYOYSNTHRZ-CYBMUJFWSA-N 1 1 289.398 3.080 20 30 CGEDMO CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C#N)cc1Cl ZINC000903990678 621848100 /nfs/dbraw/zinc/84/81/00/621848100.db2.gz WSDPOAAKWBVFFJ-AWEZNQCLSA-N 1 1 291.782 3.023 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C#N)cc1Cl ZINC000903990678 621848107 /nfs/dbraw/zinc/84/81/07/621848107.db2.gz WSDPOAAKWBVFFJ-AWEZNQCLSA-N 1 1 291.782 3.023 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc([C@@H]2CCC(F)(F)C2)no1 ZINC000904713292 621960513 /nfs/dbraw/zinc/96/05/13/621960513.db2.gz TVFIDKMLJYSSDN-NXEZZACHSA-N 1 1 271.311 3.329 20 30 CGEDMO CC(C)[C@H]1[N@@H+](C[C@@H](O)CC2(C#N)CCC2)CC12CCCC2 ZINC000905959533 622133346 /nfs/dbraw/zinc/13/33/46/622133346.db2.gz YCKRWUJQYFSTIO-JKSUJKDBSA-N 1 1 290.451 3.332 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H](C)C3CCC3)CCC[C@H]12 ZINC000991360160 622570991 /nfs/dbraw/zinc/57/09/91/622570991.db2.gz MSAWKZSRZQIHNG-UWWQBHOKSA-N 1 1 290.451 3.112 20 30 CGEDMO COc1ccc(C)[nH+]c1NCc1ccc(O[C@H](C)C#N)cc1 ZINC000150984714 622713734 /nfs/dbraw/zinc/71/37/34/622713734.db2.gz HMRHOIJJFGUFFA-CYBMUJFWSA-N 1 1 297.358 3.302 20 30 CGEDMO COc1ccc(C)[nH+]c1NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000150984679 622713798 /nfs/dbraw/zinc/71/37/98/622713798.db2.gz HMRHOIJJFGUFFA-ZDUSSCGKSA-N 1 1 297.358 3.302 20 30 CGEDMO C#C[C@H](CC)[NH2+]Cc1cccc(F)c1Br ZINC000229967715 623182824 /nfs/dbraw/zinc/18/28/24/623182824.db2.gz HIBVMIQWRZJLQJ-SNVBAGLBSA-N 1 1 270.145 3.090 20 30 CGEDMO CC[N@@H+](CCCOc1ccc(C#N)cc1)CC1CCC1 ZINC000230316756 623234065 /nfs/dbraw/zinc/23/40/65/623234065.db2.gz CNWQFJHKNSRADD-UHFFFAOYSA-N 1 1 272.392 3.449 20 30 CGEDMO CCCCC(N)=[NH+]OCc1coc(-c2cccc(F)c2)n1 ZINC000063460048 623327988 /nfs/dbraw/zinc/32/79/88/623327988.db2.gz ICUCMVXUCNTICZ-UHFFFAOYSA-N 1 1 291.326 3.460 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3cc(C)ccc3C)CCC[C@H]12 ZINC000992453056 623568435 /nfs/dbraw/zinc/56/84/35/623568435.db2.gz DPMCMMJFXGBRDG-PKOBYXMFSA-N 1 1 298.430 3.216 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)C3CCC=CCC3)CCC[C@@H]12 ZINC000992492827 623602437 /nfs/dbraw/zinc/60/24/37/623602437.db2.gz HYECTCIPIUZTQE-AEFFLSMTSA-N 1 1 288.435 3.032 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C=C2CCCCC2)[C@@H]1C ZINC000993080292 623821873 /nfs/dbraw/zinc/82/18/73/623821873.db2.gz NZCYIBQUCAEULG-RDJZCZTQSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C=C2CCCCC2)[C@H]1C ZINC000993083521 623828454 /nfs/dbraw/zinc/82/84/54/623828454.db2.gz UOLXZIUGITVFAB-ZBFHGGJFSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C2C(C)(C)C2(C)C)[C@@H]1C ZINC000993186354 623908611 /nfs/dbraw/zinc/90/86/11/623908611.db2.gz PJGDXMBCRRIDPD-UONOGXRCSA-N 1 1 292.467 3.214 20 30 CGEDMO C#Cc1cccc(NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)c1 ZINC000915358926 623958447 /nfs/dbraw/zinc/95/84/47/623958447.db2.gz QYXNRXLOWFQLGB-HUUCEWRRSA-N 1 1 299.418 3.052 20 30 CGEDMO CCCCCCCCNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000754852056 623970830 /nfs/dbraw/zinc/97/08/30/623970830.db2.gz YZYMDVJSHJUHQU-HZPDHXFCSA-N 1 1 295.471 3.273 20 30 CGEDMO C=C(C)[C@H](C)OC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000756016522 625690708 /nfs/dbraw/zinc/69/07/08/625690708.db2.gz TYMQLLJHWCKPKE-GOEBONIOSA-N 1 1 273.376 3.159 20 30 CGEDMO C=C(C)[C@H](C)OC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000756016522 625690713 /nfs/dbraw/zinc/69/07/13/625690713.db2.gz TYMQLLJHWCKPKE-GOEBONIOSA-N 1 1 273.376 3.159 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C2=CCCCCC2)[C@@H]1C ZINC000993290981 623999674 /nfs/dbraw/zinc/99/96/74/623999674.db2.gz BYUZBCHWKOSDAS-DOTOQJQBSA-N 1 1 290.451 3.422 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)Cc1cccc2nsnc21 ZINC000766070278 624038449 /nfs/dbraw/zinc/03/84/49/624038449.db2.gz AGEIWRRKNOJXKC-UHFFFAOYSA-N 1 1 274.393 3.063 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C2(C)CCC2)[C@@H]1C ZINC000993679550 624056747 /nfs/dbraw/zinc/05/67/47/624056747.db2.gz XQCVLOUAFGWLSJ-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C2CC3(CCC3)C2)[C@H]1C ZINC000993698657 624058663 /nfs/dbraw/zinc/05/86/63/624058663.db2.gz AUDBZIJDLPRBPM-GDBMZVCRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](C/C=C\Cl)[C@H]2C)C1 ZINC000993795482 624063821 /nfs/dbraw/zinc/06/38/21/624063821.db2.gz XTGXDEZDOJPIBP-BPIHMUFXSA-N 1 1 296.842 3.064 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](C/C=C\Cl)[C@H]2C)C1 ZINC000993795482 624063825 /nfs/dbraw/zinc/06/38/25/624063825.db2.gz XTGXDEZDOJPIBP-BPIHMUFXSA-N 1 1 296.842 3.064 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C=C)cc2)[C@H]1C ZINC000993853681 624065740 /nfs/dbraw/zinc/06/57/40/624065740.db2.gz AGHKEVLMAALBEU-RHSMWYFYSA-N 1 1 284.403 3.098 20 30 CGEDMO C[C@@H]1CN(c2ccccc2C=[NH+]Nc2ccccc2)CCO1 ZINC000915932843 624081171 /nfs/dbraw/zinc/08/11/71/624081171.db2.gz DJMYAJGUMNRFBY-OAHLLOKOSA-N 1 1 295.386 3.358 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C)c(C)c2)[C@@H]1C ZINC000994352987 624205205 /nfs/dbraw/zinc/20/52/05/624205205.db2.gz OWMDZVMGVNRIMR-DOTOQJQBSA-N 1 1 286.419 3.072 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)c(C)s2)[C@@H]1C ZINC000994369297 624206656 /nfs/dbraw/zinc/20/66/56/624206656.db2.gz XLKACPCWBICRLT-GXTWGEPZSA-N 1 1 292.448 3.134 20 30 CGEDMO C=CC[N@H+](Cc1nc(-c2ccccc2)no1)C(C)C ZINC000917070870 624233603 /nfs/dbraw/zinc/23/36/03/624233603.db2.gz INUDFKVPXXVEJY-UHFFFAOYSA-N 1 1 257.337 3.133 20 30 CGEDMO C=CC[N@@H+](Cc1nc(-c2ccccc2)no1)C(C)C ZINC000917070870 624233614 /nfs/dbraw/zinc/23/36/14/624233614.db2.gz INUDFKVPXXVEJY-UHFFFAOYSA-N 1 1 257.337 3.133 20 30 CGEDMO C=CC[N@@H+](C[C@@H](O)COc1ccc2ccccc2c1)C(C)C ZINC000917069807 624234326 /nfs/dbraw/zinc/23/43/26/624234326.db2.gz WGAICASIWFSTLU-GOSISDBHSA-N 1 1 299.414 3.476 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1ccc(Cl)cc1C)C(C)C ZINC000917166816 624248699 /nfs/dbraw/zinc/24/86/99/624248699.db2.gz IOIQJKQUJPMIKV-UHFFFAOYSA-N 1 1 280.799 3.483 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1C)C(C)C ZINC000917166816 624248701 /nfs/dbraw/zinc/24/87/01/624248701.db2.gz IOIQJKQUJPMIKV-UHFFFAOYSA-N 1 1 280.799 3.483 20 30 CGEDMO C=C(Cl)C[NH2+][C@H]1CCCc2c(Cl)ccnc21 ZINC000925438372 624267138 /nfs/dbraw/zinc/26/71/38/624267138.db2.gz XYVWNBVJEPDXGD-NSHDSACASA-N 1 1 257.164 3.455 20 30 CGEDMO C[C@H](C#N)C[N@H+](C[C@H]1CCC[C@@H](C(F)(F)F)O1)C1CC1 ZINC000930088181 624414268 /nfs/dbraw/zinc/41/42/68/624414268.db2.gz ZBWQTAFAKJWNOI-RTXFEEFZSA-N 1 1 290.329 3.110 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C[C@H]1CCC[C@@H](C(F)(F)F)O1)C1CC1 ZINC000930088181 624414270 /nfs/dbraw/zinc/41/42/70/624414270.db2.gz ZBWQTAFAKJWNOI-RTXFEEFZSA-N 1 1 290.329 3.110 20 30 CGEDMO C=CCc1cc(C[N@@H+](C)CC(=C)C)c(O)c(OC)c1 ZINC000182622655 625020589 /nfs/dbraw/zinc/02/05/89/625020589.db2.gz BVZOGHDAULKCKT-UHFFFAOYSA-N 1 1 261.365 3.137 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](N(CC)C(=O)c2ccoc2)CC1 ZINC000997913989 625768328 /nfs/dbraw/zinc/76/83/28/625768328.db2.gz LPKPQBUZDAZARQ-INIZCTEOSA-N 1 1 290.407 3.172 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2ccsc2)CC1 ZINC000997931571 625773828 /nfs/dbraw/zinc/77/38/28/625773828.db2.gz ZXXSXNIPLQXMOO-OAHLLOKOSA-N 1 1 292.448 3.251 20 30 CGEDMO C[C@@H]([NH2+]Cc1csc(C#N)c1)c1nc2ccccc2n1C ZINC000921754721 625864537 /nfs/dbraw/zinc/86/45/37/625864537.db2.gz NQQHWNRXQYTHPA-LLVKDONJSA-N 1 1 296.399 3.357 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC=CCC2)CC1 ZINC001000435142 625872084 /nfs/dbraw/zinc/87/20/84/625872084.db2.gz WIAMADLKQULRMT-QGZVFWFLSA-N 1 1 288.435 3.057 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC=CCCC2)CC1 ZINC001000843723 625881888 /nfs/dbraw/zinc/88/18/88/625881888.db2.gz YIGLWULATPJZGP-KRWDZBQOSA-N 1 1 288.435 3.057 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC001001122974 625891809 /nfs/dbraw/zinc/89/18/09/625891809.db2.gz KUJVSUNLDXGLKZ-INIZCTEOSA-N 1 1 290.451 3.137 20 30 CGEDMO CCc1ncc(C[NH2+]Cc2c(C)cc(C#N)cc2C)o1 ZINC000922162332 625977447 /nfs/dbraw/zinc/97/74/47/625977447.db2.gz LQVROBFYGAXZHB-UHFFFAOYSA-N 1 1 269.348 3.015 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CCCC2(C)C)CC1 ZINC001003452637 625979983 /nfs/dbraw/zinc/97/99/83/625979983.db2.gz ITYUQKHCFXFAEW-CQSZACIVSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)C)CC1 ZINC001004356401 626042508 /nfs/dbraw/zinc/04/25/08/626042508.db2.gz XSPMFTHSPSHWNC-OAHLLOKOSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC)CC1 ZINC001004497708 626063916 /nfs/dbraw/zinc/06/39/16/626063916.db2.gz CUYCMZXFIZNALF-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)C)CC1 ZINC001004598529 626066506 /nfs/dbraw/zinc/06/65/06/626066506.db2.gz CMSDOMPKFXBFKJ-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](C)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000839175754 626325847 /nfs/dbraw/zinc/32/58/47/626325847.db2.gz YMWLFAILBGOKBC-OIISXLGYSA-N 1 1 272.392 3.183 20 30 CGEDMO Cc1ccc(N2CCC[N@H+]([C@@H](C)CCC#N)CC2)cc1 ZINC000839469671 626354509 /nfs/dbraw/zinc/35/45/09/626354509.db2.gz LPCNPYKCBXZHNW-INIZCTEOSA-N 1 1 271.408 3.199 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCCCCCO ZINC000752076170 626417722 /nfs/dbraw/zinc/41/77/22/626417722.db2.gz PIFMZKGSAKYIAI-ZWKOTPCHSA-N 1 1 286.419 3.311 20 30 CGEDMO Cc1cc(Br)ccc1N=NC1C[N@H+](C)C[C@@H]1C ZINC000752164305 626420371 /nfs/dbraw/zinc/42/03/71/626420371.db2.gz FGHAREWGYMSOFL-JTQLQIEISA-N 1 1 296.212 3.107 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000755270264 626611364 /nfs/dbraw/zinc/61/13/64/626611364.db2.gz ITTUBCSMVJDZCR-SOUVJXGZSA-N 1 1 294.439 3.188 20 30 CGEDMO Cc1ncc(C=NNc2cc(C)ccn2)n1-c1ccccc1 ZINC000755771755 626645378 /nfs/dbraw/zinc/64/53/78/626645378.db2.gz YEOUAYMFBKUIIL-UHFFFAOYSA-N 1 1 291.358 3.330 20 30 CGEDMO C#CC[N@H+](Cc1ccc2nc(C)sc2c1)C1CC1 ZINC000756101830 626677062 /nfs/dbraw/zinc/67/70/62/626677062.db2.gz NYZXBZRSZNIUMM-UHFFFAOYSA-N 1 1 256.374 3.202 20 30 CGEDMO C=CC[N@H+](Cc1cc(C(=O)OC)sc1C)C(C)C ZINC000756811487 626734357 /nfs/dbraw/zinc/73/43/57/626734357.db2.gz CNQCOCMJQMVDOS-UHFFFAOYSA-N 1 1 267.394 3.240 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H](c1ccccc1)C(C)(C)C(=O)OC ZINC000839543608 626760852 /nfs/dbraw/zinc/76/08/52/626760852.db2.gz LHRGLJFPFMCLMV-ZDUSSCGKSA-N 1 1 281.783 3.269 20 30 CGEDMO Cc1ccc(-c2cccc(C=NN3CC[NH+](C)CC3)c2)cc1 ZINC000757560784 626788569 /nfs/dbraw/zinc/78/85/69/626788569.db2.gz JLLSLZADHQYXMV-UHFFFAOYSA-N 1 1 293.414 3.243 20 30 CGEDMO Cc1cc(C[NH2+]Cc2cc(C#N)ccc2F)cnc1Cl ZINC000760677671 626984861 /nfs/dbraw/zinc/98/48/61/626984861.db2.gz BIOMMSWWCWVKRL-UHFFFAOYSA-N 1 1 289.741 3.344 20 30 CGEDMO C#CCC[N@@H+](CCOC)Cc1cccc(Cl)c1Cl ZINC000760818003 626994187 /nfs/dbraw/zinc/99/41/87/626994187.db2.gz DMJOXYJKFJOCJG-UHFFFAOYSA-N 1 1 286.202 3.465 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1cccc(Cl)c1Cl ZINC000760818003 626994191 /nfs/dbraw/zinc/99/41/91/626994191.db2.gz DMJOXYJKFJOCJG-UHFFFAOYSA-N 1 1 286.202 3.465 20 30 CGEDMO C#CCC[N@H+](CC)Cc1cccc(Br)c1 ZINC000760819913 626994240 /nfs/dbraw/zinc/99/42/40/626994240.db2.gz LLUCEMBQVDXWPM-UHFFFAOYSA-N 1 1 266.182 3.294 20 30 CGEDMO CCCCCCC[N@@H+](C)Cc1ccc(OC)nc1 ZINC000764374801 627204723 /nfs/dbraw/zinc/20/47/23/627204723.db2.gz ZMYMPDMWOWVVLW-UHFFFAOYSA-N 1 1 250.386 3.492 20 30 CGEDMO CC#CCC[N@@H+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000764976579 627234899 /nfs/dbraw/zinc/23/48/99/627234899.db2.gz YPJWOYFSCAOEEW-OAHLLOKOSA-N 1 1 296.455 3.271 20 30 CGEDMO c1cc2c(c(N=NC3CC[N@H+]4CCC[C@@H]34)c1)CCCC2 ZINC000765572264 627259630 /nfs/dbraw/zinc/25/96/30/627259630.db2.gz ACSOUIKMLVSKJY-KRWDZBQOSA-N 1 1 269.392 3.201 20 30 CGEDMO CCCCCCCC(=O)N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC000765931339 627279296 /nfs/dbraw/zinc/27/92/96/627279296.db2.gz SMWHQHOAUMXRSR-GJZGRUSLSA-N 1 1 268.445 3.288 20 30 CGEDMO C#CCCC[N@@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000766895766 627367671 /nfs/dbraw/zinc/36/76/71/627367671.db2.gz HNFHBODGFFRXAG-UHFFFAOYSA-N 1 1 290.838 3.261 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000768136701 627462342 /nfs/dbraw/zinc/46/23/42/627462342.db2.gz CDUYVUBTVAWGLR-HNNXBMFYSA-N 1 1 257.377 3.321 20 30 CGEDMO CC(C)[N@H+](CCC#N)CCc1ccc(F)c(F)c1 ZINC000768530465 627484433 /nfs/dbraw/zinc/48/44/33/627484433.db2.gz LCGOSJSKQGMNIC-UHFFFAOYSA-N 1 1 252.308 3.131 20 30 CGEDMO CC(C)[N@@H+](CCC#N)CCc1ccc(F)c(F)c1 ZINC000768530465 627484436 /nfs/dbraw/zinc/48/44/36/627484436.db2.gz LCGOSJSKQGMNIC-UHFFFAOYSA-N 1 1 252.308 3.131 20 30 CGEDMO C#CC[N@H+](CCc1ccc(F)c(F)c1)C1CCCC1 ZINC000768531034 627484842 /nfs/dbraw/zinc/48/48/42/627484842.db2.gz UIQVUSJUKIJKPL-UHFFFAOYSA-N 1 1 263.331 3.385 20 30 CGEDMO C=CC[N@@H+](Cc1c(OC)cc(OC)cc1OC)C(C)C ZINC000768548068 627486258 /nfs/dbraw/zinc/48/62/58/627486258.db2.gz VRZJYJQCPAEHQN-UHFFFAOYSA-N 1 1 279.380 3.109 20 30 CGEDMO C=CC[N@H+](Cc1c(OC)cc(OC)cc1OC)C(C)C ZINC000768548068 627486263 /nfs/dbraw/zinc/48/62/63/627486263.db2.gz VRZJYJQCPAEHQN-UHFFFAOYSA-N 1 1 279.380 3.109 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+](CC)CCc1ccccn1 ZINC000769036328 627519765 /nfs/dbraw/zinc/51/97/65/627519765.db2.gz KUZNVQNVSADKTO-UHFFFAOYSA-N 1 1 294.398 3.158 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccc(OCCC)c(OCC)c1 ZINC000769111917 627523543 /nfs/dbraw/zinc/52/35/43/627523543.db2.gz SWLHCAKAMFPGKO-UHFFFAOYSA-N 1 1 275.392 3.329 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CCOC(C)(C)[C@H]2C)cc1 ZINC000769451861 627554222 /nfs/dbraw/zinc/55/42/22/627554222.db2.gz OTWQDPKYUTVWIO-OAHLLOKOSA-N 1 1 287.403 3.088 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCOC[C@@H](C)C2)cc1Cl ZINC000769457964 627554941 /nfs/dbraw/zinc/55/49/41/627554941.db2.gz WYDZSJWPVKMQLE-ZDUSSCGKSA-N 1 1 295.810 3.373 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCOC[C@@H](C)C2)cc1Cl ZINC000769457964 627554944 /nfs/dbraw/zinc/55/49/44/627554944.db2.gz WYDZSJWPVKMQLE-ZDUSSCGKSA-N 1 1 295.810 3.373 20 30 CGEDMO C#CC[N@H+](C[C@@H](C)Cc1ccc(OC)c(F)c1)C1CC1 ZINC000769559236 627566139 /nfs/dbraw/zinc/56/61/39/627566139.db2.gz VHMHHMOOLVOICO-ZDUSSCGKSA-N 1 1 275.367 3.111 20 30 CGEDMO Cc1cc(C)cc(C[N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)c1 ZINC000769845763 627583439 /nfs/dbraw/zinc/58/34/39/627583439.db2.gz HILPJYOQYAPGEZ-IBGZPJMESA-N 1 1 294.398 3.341 20 30 CGEDMO Cc1ccc(F)c(C[N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)c1 ZINC000769906928 627587988 /nfs/dbraw/zinc/58/79/88/627587988.db2.gz DZTCDHBRLJNHSZ-SFHVURJKSA-N 1 1 298.361 3.171 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(OCc2ccccc2F)nc1 ZINC000769977270 627594294 /nfs/dbraw/zinc/59/42/94/627594294.db2.gz DCXOGEAXRKCWPY-AWEZNQCLSA-N 1 1 298.361 3.253 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(OCc2ccccc2F)nc1 ZINC000769977270 627594295 /nfs/dbraw/zinc/59/42/95/627594295.db2.gz DCXOGEAXRKCWPY-AWEZNQCLSA-N 1 1 298.361 3.253 20 30 CGEDMO Cn1c[nH+]c2cc(NCc3ccc(C#N)cc3)ccc21 ZINC000770589427 627629767 /nfs/dbraw/zinc/62/97/67/627629767.db2.gz SCRJGNSEVGZWEF-UHFFFAOYSA-N 1 1 262.316 3.057 20 30 CGEDMO CCCCCCC[N@H+]1CCO[C@H](COC(C)C)C1 ZINC000770710050 627638867 /nfs/dbraw/zinc/63/88/67/627638867.db2.gz LMSORTJIGDSMII-HNNXBMFYSA-N 1 1 257.418 3.083 20 30 CGEDMO C=CC[N@H+](Cn1cc(-c2ccccc2)cn1)C1CC1 ZINC000771639164 627724687 /nfs/dbraw/zinc/72/46/87/627724687.db2.gz FXSCSFLLAXNDIZ-UHFFFAOYSA-N 1 1 253.349 3.158 20 30 CGEDMO C=CC[N@@H+](Cn1cc(-c2ccccc2)cn1)C1CC1 ZINC000771639164 627724690 /nfs/dbraw/zinc/72/46/90/627724690.db2.gz FXSCSFLLAXNDIZ-UHFFFAOYSA-N 1 1 253.349 3.158 20 30 CGEDMO CCCCCCCCC[N@H+](C)Cc1nnc2n1CCC2 ZINC000771795717 627732529 /nfs/dbraw/zinc/73/25/29/627732529.db2.gz HYLQSDBTNPFNTB-UHFFFAOYSA-N 1 1 278.444 3.407 20 30 CGEDMO CCCCCCCCC[N@@H+](C)Cc1nnc2n1CCC2 ZINC000771795717 627732531 /nfs/dbraw/zinc/73/25/31/627732531.db2.gz HYLQSDBTNPFNTB-UHFFFAOYSA-N 1 1 278.444 3.407 20 30 CGEDMO C[N@H+]1CCCC(=NN[C@@H]2CCCCC2(C)C)CC1 ZINC000773126481 627859814 /nfs/dbraw/zinc/85/98/14/627859814.db2.gz STLXIJJKZHGZGV-CQSZACIVSA-N 1 1 251.418 3.017 20 30 CGEDMO CCOCCON=C1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000774422834 627987683 /nfs/dbraw/zinc/98/76/83/627987683.db2.gz OTNANCYORIMCDH-OAHLLOKOSA-N 1 1 290.407 3.080 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC000775182565 628069762 /nfs/dbraw/zinc/06/97/62/628069762.db2.gz DDEPOQITNSNYKC-CYBMUJFWSA-N 1 1 297.354 3.187 20 30 CGEDMO C#C[C@H]([NH2+]Cc1cccc(Cl)c1Cl)[C@H]1CCCO1 ZINC000775341898 628084805 /nfs/dbraw/zinc/08/48/05/628084805.db2.gz OGIRBIKIBRTWPY-QWHCGFSZSA-N 1 1 284.186 3.264 20 30 CGEDMO C[C@H]1CC[N@H+](Cc2ccccc2)CC1=NNC1CCCC1 ZINC000776180219 628177590 /nfs/dbraw/zinc/17/75/90/628177590.db2.gz KDPAIYGQUPTMAC-HNNXBMFYSA-N 1 1 285.435 3.417 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CC1=NNC1CCCC1 ZINC000776180219 628177592 /nfs/dbraw/zinc/17/75/92/628177592.db2.gz KDPAIYGQUPTMAC-HNNXBMFYSA-N 1 1 285.435 3.417 20 30 CGEDMO C=CC[C@@H](C(=O)OCCCn1cc[nH+]c1C)c1ccccc1 ZINC000778426384 628350482 /nfs/dbraw/zinc/35/04/82/628350482.db2.gz DYLPXOBTWVJHEP-QGZVFWFLSA-N 1 1 298.386 3.485 20 30 CGEDMO C=CC[C@H](C(=O)OCCCn1cc[nH+]c1C)c1ccccc1 ZINC000778426382 628350764 /nfs/dbraw/zinc/35/07/64/628350764.db2.gz DYLPXOBTWVJHEP-KRWDZBQOSA-N 1 1 298.386 3.485 20 30 CGEDMO C#CC[N@H+](C[C@@H]1CCO[C@H](C)C1)[C@H]1CCc2ccccc21 ZINC000778984202 628380934 /nfs/dbraw/zinc/38/09/34/628380934.db2.gz AYPNWHXROQOZKZ-MDZRGWNJSA-N 1 1 283.415 3.424 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C[C@H]1F ZINC000779150081 628390067 /nfs/dbraw/zinc/39/00/67/628390067.db2.gz PJYLIZOQZQIBMK-RHSMWYFYSA-N 1 1 289.398 3.216 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cc(F)ccc1O ZINC000779169865 628392291 /nfs/dbraw/zinc/39/22/91/628392291.db2.gz RIDOILWSYMSFKF-UHFFFAOYSA-N 1 1 275.323 3.355 20 30 CGEDMO c1ccc(C(CC2CC2)=NNc2cc[nH+]cc2)cc1 ZINC000779806960 628432804 /nfs/dbraw/zinc/43/28/04/628432804.db2.gz JYRQYXXFXZNUQW-UHFFFAOYSA-N 1 1 251.333 3.120 20 30 CGEDMO CC1(C#N)CC[NH+](Cn2cc(-c3ccccc3)cn2)CC1 ZINC000779879423 628439869 /nfs/dbraw/zinc/43/98/69/628439869.db2.gz USRIHXAOHQZVIH-UHFFFAOYSA-N 1 1 280.375 3.133 20 30 CGEDMO CCCCOc1ccccc1C[NH2+]Cc1ccc(C#N)cn1 ZINC000780555721 628499367 /nfs/dbraw/zinc/49/93/67/628499367.db2.gz JRAACLPCTTVQDP-UHFFFAOYSA-N 1 1 295.386 3.422 20 30 CGEDMO CC(C)c1cn(C[NH+]2CCC(CC#N)CC2)c(=S)n1C ZINC000781572970 628573986 /nfs/dbraw/zinc/57/39/86/628573986.db2.gz YBKJWRZTOBMAPT-UHFFFAOYSA-N 1 1 292.452 3.263 20 30 CGEDMO C=C[C@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000781577908 628574407 /nfs/dbraw/zinc/57/44/07/628574407.db2.gz CDEKLUHQZKYMOI-HOCLYGCPSA-N 1 1 273.376 3.159 20 30 CGEDMO C=C[C@H](C)OC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000781577908 628574411 /nfs/dbraw/zinc/57/44/11/628574411.db2.gz CDEKLUHQZKYMOI-HOCLYGCPSA-N 1 1 273.376 3.159 20 30 CGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCCC3(CCCC3)C2)cc1 ZINC000782636806 628657326 /nfs/dbraw/zinc/65/73/26/628657326.db2.gz LSSHMJPPHKOQHD-KRWDZBQOSA-N 1 1 284.403 3.248 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000784579796 628823124 /nfs/dbraw/zinc/82/31/24/628823124.db2.gz WNAHZNDXHSWQGF-OAHLLOKOSA-N 1 1 269.429 3.432 20 30 CGEDMO C=CC[N@H+](CN1C[C@@H](CC(C)(C)C)OC1=O)C(C)C ZINC000785499498 628868009 /nfs/dbraw/zinc/86/80/09/628868009.db2.gz QGYAQXLQEMKENN-CYBMUJFWSA-N 1 1 268.401 3.097 20 30 CGEDMO C=CC[N@@H+](CN1C[C@@H](CC(C)(C)C)OC1=O)C(C)C ZINC000785499498 628868010 /nfs/dbraw/zinc/86/80/10/628868010.db2.gz QGYAQXLQEMKENN-CYBMUJFWSA-N 1 1 268.401 3.097 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000785685635 628880600 /nfs/dbraw/zinc/88/06/00/628880600.db2.gz GBCNEWHEATZDJH-CQSZACIVSA-N 1 1 282.428 3.332 20 30 CGEDMO C=CCC[N@@H+](C)Cn1cc(C(C)C)n(C)c1=S ZINC000786102277 628914195 /nfs/dbraw/zinc/91/41/95/628914195.db2.gz VGBUWQRKWGJXFP-UHFFFAOYSA-N 1 1 253.415 3.145 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@@H+](C)CCC=C ZINC000786579834 628949957 /nfs/dbraw/zinc/94/99/57/628949957.db2.gz UGGFPKURLLRCOX-UHFFFAOYSA-N 1 1 263.768 3.360 20 30 CGEDMO Cc1ccc(C[N@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)nc1 ZINC000789589227 629148903 /nfs/dbraw/zinc/14/89/03/629148903.db2.gz JZIQOJJMWNKJAA-OAHLLOKOSA-N 1 1 295.386 3.313 20 30 CGEDMO C#C[C@@H](OC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1)C1CC1 ZINC000805902956 629161813 /nfs/dbraw/zinc/16/18/13/629161813.db2.gz ZCHQGBZQXUGFNE-GOSISDBHSA-N 1 1 299.414 3.486 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1cnn(CC)c1 ZINC000792374334 629357947 /nfs/dbraw/zinc/35/79/47/629357947.db2.gz BLFNPCLZKUVNEL-GOSISDBHSA-N 1 1 299.418 3.015 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000862440734 629372974 /nfs/dbraw/zinc/37/29/74/629372974.db2.gz KSGFYXMZZMRESO-LSDHHAIUSA-N 1 1 270.376 3.375 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cccc(OCC)c2O)C1 ZINC000862442131 629374037 /nfs/dbraw/zinc/37/40/37/629374037.db2.gz XYHDOZXFUJJPIP-CYBMUJFWSA-N 1 1 261.365 3.189 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2c(Cl)nc3ccccn32)C1 ZINC000862441739 629374239 /nfs/dbraw/zinc/37/42/39/629374239.db2.gz VANQXAFWWSANEM-LBPRGKRZSA-N 1 1 275.783 3.386 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000862444697 629377966 /nfs/dbraw/zinc/37/79/66/629377966.db2.gz FPWYHLVXJWZMRT-JTQLQIEISA-N 1 1 267.731 3.030 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000862444697 629377970 /nfs/dbraw/zinc/37/79/70/629377970.db2.gz FPWYHLVXJWZMRT-JTQLQIEISA-N 1 1 267.731 3.030 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000862444928 629378328 /nfs/dbraw/zinc/37/83/28/629378328.db2.gz IZUKCKDHXHRGLB-GFCCVEGCSA-N 1 1 285.416 3.118 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cnc(CC(C)C)s2)C1 ZINC000862445303 629378408 /nfs/dbraw/zinc/37/84/08/629378408.db2.gz QDKYQRDWYWTTCM-ZDUSSCGKSA-N 1 1 262.422 3.187 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000862444666 629378419 /nfs/dbraw/zinc/37/84/19/629378419.db2.gz FKRLZKMBHSYNLD-LLVKDONJSA-N 1 1 278.739 3.093 20 30 CGEDMO C#CC[C@H]1CC[N@H+](C/C=C/c2ccc(F)cc2F)C1 ZINC000862445650 629379832 /nfs/dbraw/zinc/37/98/32/629379832.db2.gz YUIROPZVWPWUEK-LQPUYASZSA-N 1 1 261.315 3.323 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(SC)s2)C1 ZINC000862447393 629380037 /nfs/dbraw/zinc/38/00/37/629380037.db2.gz MHRWDMMRTZMTIH-NSHDSACASA-N 1 1 251.420 3.315 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2c(F)ccc(F)c2Cl)C1 ZINC000862447855 629381120 /nfs/dbraw/zinc/38/11/20/629381120.db2.gz ROQBKQFAQHKLML-JTQLQIEISA-N 1 1 269.722 3.463 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2c(F)ccc(F)c2Cl)C1 ZINC000862447855 629381127 /nfs/dbraw/zinc/38/11/27/629381127.db2.gz ROQBKQFAQHKLML-JTQLQIEISA-N 1 1 269.722 3.463 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000862447551 629381540 /nfs/dbraw/zinc/38/15/40/629381540.db2.gz NYUFIOUEUYPOKB-HNNXBMFYSA-N 1 1 266.388 3.333 20 30 CGEDMO C#CC[N@H+](Cc1ccnn1C(C)C)C1CCCCC1 ZINC000792795982 629382719 /nfs/dbraw/zinc/38/27/19/629382719.db2.gz LYHHAGQAQNMVJF-UHFFFAOYSA-N 1 1 259.397 3.232 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl ZINC000792897883 629390066 /nfs/dbraw/zinc/39/00/66/629390066.db2.gz GMBXTLZROQBVDH-PWSUYJOCSA-N 1 1 275.223 3.442 20 30 CGEDMO C#CC[C@@H](CCOC)[NH2+][C@@H](CCc1ccccc1)C(F)F ZINC000862547303 629398573 /nfs/dbraw/zinc/39/85/73/629398573.db2.gz AIFWPPXPQMUKRW-HOTGVXAUSA-N 1 1 295.373 3.271 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cn1cc[nH]c1=S ZINC000794651437 629563954 /nfs/dbraw/zinc/56/39/54/629563954.db2.gz UAOBYCJOPMLXLC-UHFFFAOYSA-N 1 1 273.405 3.208 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)Cn1cc[nH]c1=S ZINC000794651437 629563958 /nfs/dbraw/zinc/56/39/58/629563958.db2.gz UAOBYCJOPMLXLC-UHFFFAOYSA-N 1 1 273.405 3.208 20 30 CGEDMO CCCCCCCNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000863933786 629702565 /nfs/dbraw/zinc/70/25/65/629702565.db2.gz VWGVDZMORXMSJJ-HNNXBMFYSA-N 1 1 268.445 3.338 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@@](C(=O)OC)(C(F)(F)F)C1 ZINC000796297328 629761738 /nfs/dbraw/zinc/76/17/38/629761738.db2.gz ZMJIDYLUCVVXTK-DGCLKSJQSA-N 1 1 293.329 3.159 20 30 CGEDMO C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@H]1CCC(C)(C)C1 ZINC000796530131 629795452 /nfs/dbraw/zinc/79/54/52/629795452.db2.gz GBMJYZGUTKVVRR-JKSUJKDBSA-N 1 1 272.392 3.102 20 30 CGEDMO N#Cc1ccc([C@@H](O)C[N@@H+](CC2CC2)CC2CCC2)cc1 ZINC000796582351 629803298 /nfs/dbraw/zinc/80/32/98/629803298.db2.gz WWPLRKSMGJBGGL-SFHVURJKSA-N 1 1 284.403 3.104 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)C[C@@H]1CCC(C)(C)O1 ZINC000796634041 629808342 /nfs/dbraw/zinc/80/83/42/629808342.db2.gz XZHSTNNDGYHFGD-INIZCTEOSA-N 1 1 257.377 3.079 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC000796685297 629814711 /nfs/dbraw/zinc/81/47/11/629814711.db2.gz ZBZNWWZCPRVJCL-INIZCTEOSA-N 1 1 294.439 3.476 20 30 CGEDMO C=CCSCC[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000796812670 629839104 /nfs/dbraw/zinc/83/91/04/629839104.db2.gz UMAFHUSXNITEPV-ZDUSSCGKSA-N 1 1 269.385 3.491 20 30 CGEDMO C=C(C)COCC[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000796833967 629843858 /nfs/dbraw/zinc/84/38/58/629843858.db2.gz YXXWXJPOPDOMSR-AWEZNQCLSA-N 1 1 267.344 3.165 20 30 CGEDMO C=CCC(C)(C)C(=O)O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000796903579 629856627 /nfs/dbraw/zinc/85/66/27/629856627.db2.gz JBFCVCUBKJZCAW-INIZCTEOSA-N 1 1 287.403 3.406 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(N(C)c2ccccc2)nc1)C1CC1 ZINC000798077547 630020041 /nfs/dbraw/zinc/02/00/41/630020041.db2.gz DIYOKTNYLITDNX-UHFFFAOYSA-N 1 1 291.398 3.447 20 30 CGEDMO C#CC[N@H+](Cc1ccc(N(C)c2ccccc2)nc1)C1CC1 ZINC000798077547 630020045 /nfs/dbraw/zinc/02/00/45/630020045.db2.gz DIYOKTNYLITDNX-UHFFFAOYSA-N 1 1 291.398 3.447 20 30 CGEDMO Cc1cc(C[N@H+]2CC[C@H](c3ccccn3)C2)ccc1C#N ZINC000798961937 630129795 /nfs/dbraw/zinc/12/97/95/630129795.db2.gz GOWFAGKOVWLUCH-KRWDZBQOSA-N 1 1 277.371 3.251 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801550585 630342988 /nfs/dbraw/zinc/34/29/88/630342988.db2.gz BTWPGDNAKSGBET-GFCCVEGCSA-N 1 1 264.300 3.274 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801550585 630342989 /nfs/dbraw/zinc/34/29/89/630342989.db2.gz BTWPGDNAKSGBET-GFCCVEGCSA-N 1 1 264.300 3.274 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000801573782 630345100 /nfs/dbraw/zinc/34/51/00/630345100.db2.gz HWYHJHSOWKNWNR-PBHICJAKSA-N 1 1 294.439 3.025 20 30 CGEDMO Cc1ccc([C@H]2CCC[N@@H+]2CCO[C@@H](C)C#N)cc1 ZINC000801909568 630363766 /nfs/dbraw/zinc/36/37/66/630363766.db2.gz OONJKIXVAVTWHQ-GOEBONIOSA-N 1 1 258.365 3.061 20 30 CGEDMO C#CC[N@H+](CCc1ccnn1CC)[C@@H]1CCc2ccccc21 ZINC000801915667 630365605 /nfs/dbraw/zinc/36/56/05/630365605.db2.gz LPVONWGEQNZSOC-LJQANCHMSA-N 1 1 293.414 3.068 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000801939803 630371403 /nfs/dbraw/zinc/37/14/03/630371403.db2.gz HQOATYKJXWGDDC-CYBMUJFWSA-N 1 1 290.794 3.358 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000801939803 630371405 /nfs/dbraw/zinc/37/14/05/630371405.db2.gz HQOATYKJXWGDDC-CYBMUJFWSA-N 1 1 290.794 3.358 20 30 CGEDMO CCc1ccc(C2=CC[N@@H+](CCO[C@H](C)C#N)CC2)cc1 ZINC000801940836 630372151 /nfs/dbraw/zinc/37/21/51/630372151.db2.gz SDFABUQGLCSAQJ-OAHLLOKOSA-N 1 1 284.403 3.267 20 30 CGEDMO C=CC(C)(C)CCCNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000876321433 634816469 /nfs/dbraw/zinc/81/64/69/634816469.db2.gz OPMYGZSSDFIZJG-HUUCEWRRSA-N 1 1 295.471 3.103 20 30 CGEDMO C=CCCCCCC[NH2+][C@H]1CCN(CC)C[C@H]1C ZINC000806167637 630552492 /nfs/dbraw/zinc/55/24/92/630552492.db2.gz CNPWOEGLMKZLMG-CVEARBPZSA-N 1 1 252.446 3.443 20 30 CGEDMO C#C[C@H](NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)C(C)C ZINC000809685885 630781588 /nfs/dbraw/zinc/78/15/88/630781588.db2.gz XULDKAJVUIIGNM-SZMVWBNQSA-N 1 1 276.468 3.277 20 30 CGEDMO C#C[C@@H](CC)N[C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000809686365 630782726 /nfs/dbraw/zinc/78/27/26/630782726.db2.gz OAYBAZBVXMPSSR-IRXDYDNUSA-N 1 1 270.420 3.041 20 30 CGEDMO C#C[C@@H](CC)N[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000809686365 630782730 /nfs/dbraw/zinc/78/27/30/630782730.db2.gz OAYBAZBVXMPSSR-IRXDYDNUSA-N 1 1 270.420 3.041 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)ncn2C ZINC000809715435 630788220 /nfs/dbraw/zinc/78/82/20/630788220.db2.gz CDVIRXRABIRYSF-UHFFFAOYSA-N 1 1 289.382 3.209 20 30 CGEDMO C#Cc1ccc(C[NH2+][C@H](C)c2c(F)cncc2F)cc1 ZINC000809716815 630789806 /nfs/dbraw/zinc/78/98/06/630789806.db2.gz SVHAENOJTVQAEK-LLVKDONJSA-N 1 1 272.298 3.192 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1coc(-c2ccccc2)n1)C(C)(C)C ZINC000809781259 630806449 /nfs/dbraw/zinc/80/64/49/630806449.db2.gz LUTPHVDXQXRRHS-OAHLLOKOSA-N 1 1 268.360 3.479 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)CCC1(F)F ZINC000810044755 630833539 /nfs/dbraw/zinc/83/35/39/630833539.db2.gz NOOBFEYPVYFYCC-CYBMUJFWSA-N 1 1 294.345 3.304 20 30 CGEDMO C#CCOc1ccc([C@@H](C)N[C@@H](C)C[N@H+](C)C(C)C)cc1 ZINC000810245088 630859271 /nfs/dbraw/zinc/85/92/71/630859271.db2.gz QFWDFOJQIDSZOL-JKSUJKDBSA-N 1 1 288.435 3.078 20 30 CGEDMO C#CCOc1ccc([C@@H](C)N[C@@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000810245088 630859273 /nfs/dbraw/zinc/85/92/73/630859273.db2.gz QFWDFOJQIDSZOL-JKSUJKDBSA-N 1 1 288.435 3.078 20 30 CGEDMO C=CC[N@H+](CCOC)C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000878503175 635533340 /nfs/dbraw/zinc/53/33/40/635533340.db2.gz OSYMAXLJMSUXHF-DLBZAZTESA-N 1 1 275.392 3.041 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCC[C@H]1c1nc(C(=O)OCC)cs1 ZINC000878504204 635534234 /nfs/dbraw/zinc/53/42/34/635534234.db2.gz DVQZLGCAFWLAQL-AAEUAGOBSA-N 1 1 294.420 3.421 20 30 CGEDMO C=CC[C@H](C)[N@@H+]1CCC[C@H]1c1nc(C(=O)OCC)cs1 ZINC000878504204 635534252 /nfs/dbraw/zinc/53/42/52/635534252.db2.gz DVQZLGCAFWLAQL-AAEUAGOBSA-N 1 1 294.420 3.421 20 30 CGEDMO C[C@H]1CCOCC[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000811506890 631077002 /nfs/dbraw/zinc/07/70/02/631077002.db2.gz JJQUSHOFIAJHQU-NSHDSACASA-N 1 1 298.308 3.188 20 30 CGEDMO C[C@H]1CCOCC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000811506890 631077010 /nfs/dbraw/zinc/07/70/10/631077010.db2.gz JJQUSHOFIAJHQU-NSHDSACASA-N 1 1 298.308 3.188 20 30 CGEDMO C#CCCCCC[N@@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000878710282 635611850 /nfs/dbraw/zinc/61/18/50/635611850.db2.gz BEPBURXMYDTUDK-IBGZPJMESA-N 1 1 297.398 3.290 20 30 CGEDMO CN(C)c1ccc(C[N@H+](C)Cc2cccc(F)c2C#N)cc1 ZINC000813334238 631413076 /nfs/dbraw/zinc/41/30/76/631413076.db2.gz ASEBHDWIDQVXLD-UHFFFAOYSA-N 1 1 297.377 3.395 20 30 CGEDMO CN(C)c1ccc(C[N@@H+](C)Cc2cccc(F)c2C#N)cc1 ZINC000813334238 631413081 /nfs/dbraw/zinc/41/30/81/631413081.db2.gz ASEBHDWIDQVXLD-UHFFFAOYSA-N 1 1 297.377 3.395 20 30 CGEDMO CCc1nc(C)c(C[NH2+]Cc2ccc(O[C@@H](C)C#N)cc2)o1 ZINC000813797621 631462587 /nfs/dbraw/zinc/46/25/87/631462587.db2.gz OKHJIWKXDOVPNF-LBPRGKRZSA-N 1 1 299.374 3.126 20 30 CGEDMO C(=[NH+]OCC1CC1)c1ccc(N2CCCCC2)s1 ZINC000814245197 631559017 /nfs/dbraw/zinc/55/90/17/631559017.db2.gz UOKCGIBTZDMQGI-UHFFFAOYSA-N 1 1 264.394 3.499 20 30 CGEDMO CC(=[NH+]NCCC(C)(C)C)c1cc(F)c(N)c(F)c1 ZINC000814901612 631671350 /nfs/dbraw/zinc/67/13/50/631671350.db2.gz CVBSHZKCXTWJGS-UHFFFAOYSA-N 1 1 269.339 3.297 20 30 CGEDMO CC(=[NH+]OCCC1CC1)c1ccc(Cl)c(N)c1 ZINC000814941343 631693774 /nfs/dbraw/zinc/69/37/74/631693774.db2.gz GJPISDUFINLCQG-UHFFFAOYSA-N 1 1 252.745 3.463 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000815046863 631706546 /nfs/dbraw/zinc/70/65/46/631706546.db2.gz BFVBNNWYYJUUCI-HNNXBMFYSA-N 1 1 267.319 3.304 20 30 CGEDMO C#CC[N@H+](C[C@@H](O)c1cc2ccccc2o1)C1CCCC1 ZINC000815061519 631709200 /nfs/dbraw/zinc/70/92/00/631709200.db2.gz XYHGHWHORIMVKF-MRXNPFEDSA-N 1 1 283.371 3.344 20 30 CGEDMO N#C[C@H]1CC[C@H]([N@@H+]2Cc3ccc(Br)cc3C2)C1 ZINC000815092678 631714809 /nfs/dbraw/zinc/71/48/09/631714809.db2.gz OAOCHXVAPIPXSF-HZMBPMFUSA-N 1 1 291.192 3.457 20 30 CGEDMO N#C[C@H]1CC[C@H]([N@H+]2Cc3ccc(Br)cc3C2)C1 ZINC000815092678 631714818 /nfs/dbraw/zinc/71/48/18/631714818.db2.gz OAOCHXVAPIPXSF-HZMBPMFUSA-N 1 1 291.192 3.457 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@H]1c1ccc(Br)cn1 ZINC000815111257 631719439 /nfs/dbraw/zinc/71/94/39/631719439.db2.gz KTPDQSUHBWJBHL-AWEZNQCLSA-N 1 1 293.208 3.394 20 30 CGEDMO C#CCCCC(=O)O[C@@H]1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000816471859 631987072 /nfs/dbraw/zinc/98/70/72/631987072.db2.gz OPJJPLYMVWLUQY-SJLPKXTDSA-N 1 1 299.414 3.386 20 30 CGEDMO C#C[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1OC)[C@@H]1CCCO1 ZINC000817584050 632190276 /nfs/dbraw/zinc/19/02/76/632190276.db2.gz QURGONGPABNVID-UGFHNGPFSA-N 1 1 293.794 3.180 20 30 CGEDMO C#CCOc1ccc([C@H](C)N[C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000817986887 632275687 /nfs/dbraw/zinc/27/56/87/632275687.db2.gz VHUDJDNLSWYATF-RDJZCZTQSA-N 1 1 298.430 3.024 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000819156296 632390814 /nfs/dbraw/zinc/39/08/14/632390814.db2.gz ZJZLNSBQQNAXLO-HOCLYGCPSA-N 1 1 295.386 3.466 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](CC[C@H]1CC1(Cl)Cl)C1CC1 ZINC000822780800 633020734 /nfs/dbraw/zinc/02/07/34/633020734.db2.gz VISXORKKNUICMW-UWVGGRQHSA-N 1 1 261.196 3.194 20 30 CGEDMO Cc1ccccc1[C@@H](C)c1noc([C@H]([NH3+])CCCC#N)n1 ZINC000822875620 633033383 /nfs/dbraw/zinc/03/33/83/633033383.db2.gz OCRWCNVCWZLMPN-TZMCWYRMSA-N 1 1 284.363 3.224 20 30 CGEDMO C[C@H](c1ccccc1)[N@@H+](CC(=O)NCCC#N)C1CCCC1 ZINC000823110370 633062396 /nfs/dbraw/zinc/06/23/96/633062396.db2.gz RZMAKFGJXKXMMJ-OAHLLOKOSA-N 1 1 299.418 3.022 20 30 CGEDMO CC(C)C[N@H+](CCC#N)Cc1cc2cccnc2o1 ZINC000823382337 633096135 /nfs/dbraw/zinc/09/61/35/633096135.db2.gz GSAURQSDHYLBFG-UHFFFAOYSA-N 1 1 257.337 3.199 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)Cc1cc2cccnc2o1 ZINC000823382337 633096139 /nfs/dbraw/zinc/09/61/39/633096139.db2.gz GSAURQSDHYLBFG-UHFFFAOYSA-N 1 1 257.337 3.199 20 30 CGEDMO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccns1 ZINC000866396814 633122352 /nfs/dbraw/zinc/12/23/52/633122352.db2.gz ADKGPWDUXYLDKY-UWVGGRQHSA-N 1 1 273.361 3.132 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1cc2ccccc2cc1OC)[C@@H]1CCCO1 ZINC000824196099 633210553 /nfs/dbraw/zinc/21/05/53/633210553.db2.gz ONXOBZRVRAJFOQ-MSOLQXFVSA-N 1 1 295.382 3.119 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1cnc(CCc2ccccc2)s1 ZINC000824296138 633225728 /nfs/dbraw/zinc/22/57/28/633225728.db2.gz AUIYJKRXJRCKEW-CQSZACIVSA-N 1 1 284.428 3.382 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cnc(CCc2ccccc2)s1 ZINC000824296138 633225732 /nfs/dbraw/zinc/22/57/32/633225732.db2.gz AUIYJKRXJRCKEW-CQSZACIVSA-N 1 1 284.428 3.382 20 30 CGEDMO Cc1cc(C)c(COC(=O)c2ccc(C#N)s2)c(C)[nH+]1 ZINC000869428038 633443212 /nfs/dbraw/zinc/44/32/12/633443212.db2.gz NAURGUDTWISBOT-UHFFFAOYSA-N 1 1 286.356 3.297 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000827079005 633454562 /nfs/dbraw/zinc/45/45/62/633454562.db2.gz SOGYSDYFCCLUBO-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C#CCC[N@H+](CCOC)CC[C@@H](C)c1ccccc1 ZINC000827822879 633522333 /nfs/dbraw/zinc/52/23/33/633522333.db2.gz GWNORKHHRRXIDQ-MRXNPFEDSA-N 1 1 259.393 3.152 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2nc(-c3ccc(C)cc3)no2)C1 ZINC000829769049 633778626 /nfs/dbraw/zinc/77/86/26/633778626.db2.gz NKKFCXQWKNUCLG-HNNXBMFYSA-N 1 1 295.386 3.280 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2cc(-c3ccco3)on2)C1 ZINC000829769370 633779274 /nfs/dbraw/zinc/77/92/74/633779274.db2.gz TUQRORWXKNOEIF-CYBMUJFWSA-N 1 1 270.332 3.170 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2nnc(-c3cc(C)oc3C)o2)C1 ZINC000829774267 633780732 /nfs/dbraw/zinc/78/07/32/633780732.db2.gz OHRGCGMCIHLJHT-AWEZNQCLSA-N 1 1 299.374 3.182 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2noc(-c3ccccc3C)n2)C1 ZINC000829789081 633783690 /nfs/dbraw/zinc/78/36/90/633783690.db2.gz NNBODSQASFFFKR-OAHLLOKOSA-N 1 1 295.386 3.280 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2noc(-c3ccccc3C)n2)C1 ZINC000829789081 633783692 /nfs/dbraw/zinc/78/36/92/633783692.db2.gz NNBODSQASFFFKR-OAHLLOKOSA-N 1 1 295.386 3.280 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000829810066 633792550 /nfs/dbraw/zinc/79/25/50/633792550.db2.gz LJUILUGLDPHJLB-WBMJQRKESA-N 1 1 295.785 3.248 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000829810543 633793178 /nfs/dbraw/zinc/79/31/78/633793178.db2.gz QZJMZILVJSXYKK-CYBMUJFWSA-N 1 1 272.779 3.447 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000829810543 633793181 /nfs/dbraw/zinc/79/31/81/633793181.db2.gz QZJMZILVJSXYKK-CYBMUJFWSA-N 1 1 272.779 3.447 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](CCC(=O)c2ccc(OC)cc2)C1 ZINC000829815643 633796880 /nfs/dbraw/zinc/79/68/80/633796880.db2.gz QBKOYEIZGXMBEO-OAHLLOKOSA-N 1 1 285.387 3.003 20 30 CGEDMO C#CCCC[N@H+]1CCO[C@H](c2cccc(F)c2)[C@H]1C ZINC000830258678 633844064 /nfs/dbraw/zinc/84/40/64/633844064.db2.gz GSUCYMTVMWAZDU-CJNGLKHVSA-N 1 1 261.340 3.001 20 30 CGEDMO C#CCCC[N@@H+]1CCO[C@H](c2cccc(F)c2)[C@H]1C ZINC000830258678 633844067 /nfs/dbraw/zinc/84/40/67/633844067.db2.gz GSUCYMTVMWAZDU-CJNGLKHVSA-N 1 1 261.340 3.001 20 30 CGEDMO C#CC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000830343228 633853145 /nfs/dbraw/zinc/85/31/45/633853145.db2.gz PRSUMUDFKXVJNR-UHFFFAOYSA-N 1 1 257.764 3.037 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000830764932 633886080 /nfs/dbraw/zinc/88/60/80/633886080.db2.gz NGLQCFVBRGIFCF-RDJZCZTQSA-N 1 1 282.387 3.308 20 30 CGEDMO C=C1CCC(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC000830985347 633904408 /nfs/dbraw/zinc/90/44/08/633904408.db2.gz QYACLJLBKHLYNV-AWEZNQCLSA-N 1 1 289.423 3.259 20 30 CGEDMO CCc1nc(C[NH2+][C@H](CC)c2ccc(C#N)cc2)co1 ZINC000834899353 634275375 /nfs/dbraw/zinc/27/53/75/634275375.db2.gz PCIFPEAHIZUUTE-OAHLLOKOSA-N 1 1 269.348 3.350 20 30 CGEDMO CSc1ccc(N=NC2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000834998723 634306565 /nfs/dbraw/zinc/30/65/65/634306565.db2.gz KWGPIICLUUXJFB-LLVKDONJSA-N 1 1 275.421 3.291 20 30 CGEDMO CN(C)c1ccc(/C=C/C[N@H+](C)CC(C)(C)C#N)cc1 ZINC000835052656 634337348 /nfs/dbraw/zinc/33/73/48/634337348.db2.gz IGUGYQXDOVMCPF-VOTSOKGWSA-N 1 1 271.408 3.247 20 30 CGEDMO CN(C)c1ccc(/C=C/C[N@@H+](C)CC(C)(C)C#N)cc1 ZINC000835052656 634337354 /nfs/dbraw/zinc/33/73/54/634337354.db2.gz IGUGYQXDOVMCPF-VOTSOKGWSA-N 1 1 271.408 3.247 20 30 CGEDMO CCC(C)(C)[N@@H+](C)Cc1cc(C#N)cnc1Cl ZINC000876717424 634885276 /nfs/dbraw/zinc/88/52/76/634885276.db2.gz CAAZZKYKFLRCMT-UHFFFAOYSA-N 1 1 251.761 3.227 20 30 CGEDMO N#Cc1cnc(Cl)c(C[N@@H+]2CCC3(CCCC3)C2)c1 ZINC000876724660 634886781 /nfs/dbraw/zinc/88/67/81/634886781.db2.gz FHMZWXVDYAKHLE-UHFFFAOYSA-N 1 1 275.783 3.373 20 30 CGEDMO N#Cc1cnc(Cl)c(C[N@H+]2CCC3(CCCC3)C2)c1 ZINC000876724660 634886784 /nfs/dbraw/zinc/88/67/84/634886784.db2.gz FHMZWXVDYAKHLE-UHFFFAOYSA-N 1 1 275.783 3.373 20 30 CGEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C#CC2CC2)cc1 ZINC000837348026 634892334 /nfs/dbraw/zinc/89/23/34/634892334.db2.gz JJVQMWAGKDRSTD-HNNXBMFYSA-N 1 1 296.414 3.413 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@H]1c1cn(C)nc1C ZINC000876806777 634903480 /nfs/dbraw/zinc/90/34/80/634903480.db2.gz TUURRAFIMJUYOF-KRWDZBQOSA-N 1 1 273.424 3.449 20 30 CGEDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C#CC(C)(C)C)C1 ZINC000837411113 634904787 /nfs/dbraw/zinc/90/47/87/634904787.db2.gz WBULKMLWMIIKIR-HNNXBMFYSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[NH+]1CCC(NCc2cccc(Cl)c2N)CC1 ZINC000877009538 634948885 /nfs/dbraw/zinc/94/88/85/634948885.db2.gz PWQRQBLBWRVHHI-UHFFFAOYSA-N 1 1 293.842 3.052 20 30 CGEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CCCC2(CC2)C1 ZINC000877405503 635036513 /nfs/dbraw/zinc/03/65/13/635036513.db2.gz KXGDNLLJQIYJFS-UHFFFAOYSA-N 1 1 269.392 3.000 20 30 CGEDMO CC(C)[C@H]1CCC[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877460698 635045121 /nfs/dbraw/zinc/04/51/21/635045121.db2.gz SFIMPPOSCVDNON-ZDUSSCGKSA-N 1 1 277.799 3.475 20 30 CGEDMO C#C[C@H](CC)N[C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877513320 635065753 /nfs/dbraw/zinc/06/57/53/635065753.db2.gz RBNHCXCNTUIPBG-ZHALLVOQSA-N 1 1 282.431 3.356 20 30 CGEDMO C#C[C@H](CC)N[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000877513320 635065761 /nfs/dbraw/zinc/06/57/61/635065761.db2.gz RBNHCXCNTUIPBG-ZHALLVOQSA-N 1 1 282.431 3.356 20 30 CGEDMO C#CCCCCCC[N@@H+]1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000877517648 635068064 /nfs/dbraw/zinc/06/80/64/635068064.db2.gz NXYHXUQHFCSTEE-IRXDYDNUSA-N 1 1 262.441 3.129 20 30 CGEDMO C#CCCCCCCN1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000877517648 635068070 /nfs/dbraw/zinc/06/80/70/635068070.db2.gz NXYHXUQHFCSTEE-IRXDYDNUSA-N 1 1 262.441 3.129 20 30 CGEDMO C[C@H]1CC(C)(C)C[N@@H+]1Cc1cc(C#N)cnc1Cl ZINC000877590768 635105297 /nfs/dbraw/zinc/10/52/97/635105297.db2.gz HBQICUKLUZHGTD-JTQLQIEISA-N 1 1 263.772 3.227 20 30 CGEDMO C[C@H]1CC(C)(C)C[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000877590768 635105298 /nfs/dbraw/zinc/10/52/98/635105298.db2.gz HBQICUKLUZHGTD-JTQLQIEISA-N 1 1 263.772 3.227 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000877605833 635108768 /nfs/dbraw/zinc/10/87/68/635108768.db2.gz WVZNQPOCPMBISL-QZTJIDSGSA-N 1 1 282.431 3.248 20 30 CGEDMO CCOc1ccc(C[N@@H+](C)CCc2cccc(C#N)c2)nc1 ZINC000877704339 635156514 /nfs/dbraw/zinc/15/65/14/635156514.db2.gz MPUWNSAXNMJFCZ-UHFFFAOYSA-N 1 1 295.386 3.026 20 30 CGEDMO N#Cc1cnc(Cl)c(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)c1 ZINC000877718944 635163566 /nfs/dbraw/zinc/16/35/66/635163566.db2.gz ZCXRKXFQNZAKOU-BETUJISGSA-N 1 1 273.767 3.005 20 30 CGEDMO C[C@@H](C#N)CNN=C1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000841633516 635202771 /nfs/dbraw/zinc/20/27/71/635202771.db2.gz OSWBHCMXGRVRJM-KSSFIOAISA-N 1 1 296.418 3.091 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000877795916 635206325 /nfs/dbraw/zinc/20/63/25/635206325.db2.gz AANQDULECBYPBJ-INIZCTEOSA-N 1 1 289.419 3.234 20 30 CGEDMO Cc1csc([C@H]2CC[N@H+](C[C@@H](C)CCC#N)C2)n1 ZINC000877814484 635222343 /nfs/dbraw/zinc/22/23/43/635222343.db2.gz ROFKGYBHUZUKOW-AAEUAGOBSA-N 1 1 263.410 3.181 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)O[C@H](C)C2)cc1 ZINC000877820073 635224128 /nfs/dbraw/zinc/22/41/28/635224128.db2.gz GIBZQKZQDWBNBL-IUODEOHRSA-N 1 1 297.320 3.210 20 30 CGEDMO C=CC[C@H](C(=O)OC)[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000877961509 635290371 /nfs/dbraw/zinc/29/03/71/635290371.db2.gz RQXNUGHPTPKKBA-QWHCGFSZSA-N 1 1 265.378 3.003 20 30 CGEDMO C=CC[C@H](C(=O)OC)[N@H+]1CCC[C@H]1c1ccsc1 ZINC000877961509 635290376 /nfs/dbraw/zinc/29/03/76/635290376.db2.gz RQXNUGHPTPKKBA-QWHCGFSZSA-N 1 1 265.378 3.003 20 30 CGEDMO Cc1cc(F)ccc1C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000842157234 635297788 /nfs/dbraw/zinc/29/77/88/635297788.db2.gz PWXCDQQRRYCLTI-GOSISDBHSA-N 1 1 298.361 3.171 20 30 CGEDMO CO[C@H]1C[C@@H](C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)C1 ZINC000878005441 635317437 /nfs/dbraw/zinc/31/74/37/635317437.db2.gz NVOQHIZILZGZMN-CALCHBBNSA-N 1 1 272.392 3.194 20 30 CGEDMO Cc1nc(CO[NH+]=C(N)CCCc2ccccc2)cs1 ZINC000126925286 635381513 /nfs/dbraw/zinc/38/15/13/635381513.db2.gz XDEIBPFSSWKYPF-UHFFFAOYSA-N 1 1 289.404 3.263 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CC[C@@H](CN(CC)CC(F)(F)F)C1 ZINC000878162539 635387320 /nfs/dbraw/zinc/38/73/20/635387320.db2.gz NSBPJVFACCRBNR-OLZOCXBDSA-N 1 1 278.362 3.157 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@H](C)[C@H]1C)c1ccccc1 ZINC000878165154 635389180 /nfs/dbraw/zinc/38/91/80/635389180.db2.gz SFOYJNKEDKUTRK-HDMKZQKVSA-N 1 1 284.403 3.157 20 30 CGEDMO N#CCC1(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)CC1 ZINC000878174158 635395948 /nfs/dbraw/zinc/39/59/48/635395948.db2.gz KOGHTJJDTYWUFH-KBPBESRZSA-N 1 1 290.432 3.330 20 30 CGEDMO C#CCCCCC[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000878189212 635403277 /nfs/dbraw/zinc/40/32/77/635403277.db2.gz ZJOSPQMLPUMSPO-HNNXBMFYSA-N 1 1 263.406 3.315 20 30 CGEDMO C#CCCCCC[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000878189212 635403281 /nfs/dbraw/zinc/40/32/81/635403281.db2.gz ZJOSPQMLPUMSPO-HNNXBMFYSA-N 1 1 263.406 3.315 20 30 CGEDMO C#CCCCCC[N@@H+]1CCC[C@H]1c1cn(C)nc1C ZINC000878191891 635406821 /nfs/dbraw/zinc/40/68/21/635406821.db2.gz RRSXGWGLRZCYEE-INIZCTEOSA-N 1 1 259.397 3.059 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cn2ccc(-c3ccsc3)n2)C1 ZINC000842629393 635419937 /nfs/dbraw/zinc/41/99/37/635419937.db2.gz MBXBPCPIMSDNBG-CQSZACIVSA-N 1 1 285.416 3.304 20 30 CGEDMO C=CC(C)(C)CC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000878243591 635429995 /nfs/dbraw/zinc/42/99/95/635429995.db2.gz GDKCYKXRMAFZOD-HNNXBMFYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000878252056 635432388 /nfs/dbraw/zinc/43/23/88/635432388.db2.gz APBFRALCFNNBKB-LSDHHAIUSA-N 1 1 287.407 3.005 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C[C@@H]1CC(C)(C)OC1(C)C)C1CC1 ZINC000878299080 635449651 /nfs/dbraw/zinc/44/96/51/635449651.db2.gz MUXYFUUYRJMOEF-OLZOCXBDSA-N 1 1 264.413 3.204 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C[C@@H]1CC(C)(C)OC1(C)C)C1CC1 ZINC000878299082 635450179 /nfs/dbraw/zinc/45/01/79/635450179.db2.gz MUXYFUUYRJMOEF-STQMWFEESA-N 1 1 264.413 3.204 20 30 CGEDMO C#CC[C@H]([NH2+]Cc1nccn1CC(F)F)c1ccccc1 ZINC000878362773 635475492 /nfs/dbraw/zinc/47/54/92/635475492.db2.gz HSFXYKZPIHDHIG-AWEZNQCLSA-N 1 1 289.329 3.002 20 30 CGEDMO C#CCCCCC[N@@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000878548337 635551936 /nfs/dbraw/zinc/55/19/36/635551936.db2.gz WAEHMQFNZAFPNP-QGZVFWFLSA-N 1 1 298.430 3.165 20 30 CGEDMO C=CC[C@H](C)[N@@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000878607171 635567641 /nfs/dbraw/zinc/56/76/41/635567641.db2.gz TVJIYKPMDPOTSV-ZDUSSCGKSA-N 1 1 271.364 3.176 20 30 CGEDMO C#CCCCCC[N@H+]1CCC[C@H](c2cccnc2)C1 ZINC000878754570 635622954 /nfs/dbraw/zinc/62/29/54/635622954.db2.gz NHSKGGLGTCZFHZ-KRWDZBQOSA-N 1 1 256.393 3.455 20 30 CGEDMO CC[C@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000878887986 635650211 /nfs/dbraw/zinc/65/02/11/635650211.db2.gz ZSYUXTFTBDYGIN-DOTOQJQBSA-N 1 1 299.418 3.338 20 30 CGEDMO CC[C@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000878887986 635650213 /nfs/dbraw/zinc/65/02/13/635650213.db2.gz ZSYUXTFTBDYGIN-DOTOQJQBSA-N 1 1 299.418 3.338 20 30 CGEDMO N#CCC1(C[N@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)CC1 ZINC000879057684 635691967 /nfs/dbraw/zinc/69/19/67/635691967.db2.gz UCILOTCZSNMGML-MRXNPFEDSA-N 1 1 297.402 3.106 20 30 CGEDMO CCC[C@@H]1[C@H](C)CCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000127542238 635715019 /nfs/dbraw/zinc/71/50/19/635715019.db2.gz LGTGHAGKBPAJMJ-OLMNPRSZSA-N 1 1 286.419 3.492 20 30 CGEDMO C[N@H+](C[C@H](O)c1ccc(F)cc1Cl)[C@@H]1CCC[C@@H]1C#N ZINC000879309552 635751911 /nfs/dbraw/zinc/75/19/11/635751911.db2.gz HADDMPBBFMDXAS-KMUNFCNLSA-N 1 1 296.773 3.137 20 30 CGEDMO C[N@@H+](C[C@H](O)c1ccc(F)cc1Cl)[C@@H]1CCC[C@@H]1C#N ZINC000879309552 635751915 /nfs/dbraw/zinc/75/19/15/635751915.db2.gz HADDMPBBFMDXAS-KMUNFCNLSA-N 1 1 296.773 3.137 20 30 CGEDMO CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000879325112 635759461 /nfs/dbraw/zinc/75/94/61/635759461.db2.gz LOHCJFLAAAOERH-RHSMWYFYSA-N 1 1 286.419 3.487 20 30 CGEDMO C#CCCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000844325738 635870913 /nfs/dbraw/zinc/87/09/13/635870913.db2.gz CQGYUGLIOSYHSN-MRXNPFEDSA-N 1 1 290.476 3.224 20 30 CGEDMO C#CCCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000844325738 635870916 /nfs/dbraw/zinc/87/09/16/635870916.db2.gz CQGYUGLIOSYHSN-MRXNPFEDSA-N 1 1 290.476 3.224 20 30 CGEDMO C#CCCC[N@@H+](C)C[C@H]1CCN(Cc2ccc(C)s2)C1 ZINC000844325738 635870918 /nfs/dbraw/zinc/87/09/18/635870918.db2.gz CQGYUGLIOSYHSN-MRXNPFEDSA-N 1 1 290.476 3.224 20 30 CGEDMO C#CCCC[N@H+](C)C[C@H]1CCN(Cc2ccc(C)s2)C1 ZINC000844325738 635870921 /nfs/dbraw/zinc/87/09/21/635870921.db2.gz CQGYUGLIOSYHSN-MRXNPFEDSA-N 1 1 290.476 3.224 20 30 CGEDMO C[C@@H]1CCC[C@@H](C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)C1 ZINC000844365301 635881170 /nfs/dbraw/zinc/88/11/70/635881170.db2.gz DOBJHAMURNXRTM-QGPMSJSTSA-N 1 1 286.419 3.350 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](C)[C@@H](C)CSc1ccccc1 ZINC000844362038 635881405 /nfs/dbraw/zinc/88/14/05/635881405.db2.gz WVVPVXIDLLGDGU-UONOGXRCSA-N 1 1 278.421 3.028 20 30 CGEDMO CC(C)C[C@@H](C)C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844367938 635882899 /nfs/dbraw/zinc/88/28/99/635882899.db2.gz DGEDPGVMYBBAJA-RHSMWYFYSA-N 1 1 274.408 3.206 20 30 CGEDMO CCCC(N)=[NH+]OCC(=O)Nc1ccccc1C(C)(C)C ZINC000105605228 635959475 /nfs/dbraw/zinc/95/94/75/635959475.db2.gz UFGGVECZUICNPS-UHFFFAOYSA-N 1 1 291.395 3.012 20 30 CGEDMO CC[N@@H+](Cc1cccc(C#N)c1)[C@@H](CO)c1ccccc1 ZINC000880460780 636004369 /nfs/dbraw/zinc/00/43/69/636004369.db2.gz ZTOUQNXKPOSJHD-SFHVURJKSA-N 1 1 280.371 3.114 20 30 CGEDMO CC[N@@H+](CCCC(C)(C)C#N)[C@@H](CO)c1ccccc1 ZINC000880461918 636004702 /nfs/dbraw/zinc/00/47/02/636004702.db2.gz MZGPYCNSDSVWCU-INIZCTEOSA-N 1 1 274.408 3.372 20 30 CGEDMO CCCCCCCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000845876484 636113148 /nfs/dbraw/zinc/11/31/48/636113148.db2.gz GCGYYFMQEBMBIW-HNNXBMFYSA-N 1 1 291.439 3.231 20 30 CGEDMO Cc1cc(C#N)ccc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000846751895 636226722 /nfs/dbraw/zinc/22/67/22/636226722.db2.gz PUWFCUYDRAQPTO-AWEZNQCLSA-N 1 1 283.419 3.177 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000847023138 636315523 /nfs/dbraw/zinc/31/55/23/636315523.db2.gz ZEGHXYYZZZOPBM-CQSZACIVSA-N 1 1 257.764 3.037 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000847023138 636315529 /nfs/dbraw/zinc/31/55/29/636315529.db2.gz ZEGHXYYZZZOPBM-CQSZACIVSA-N 1 1 257.764 3.037 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000847023796 636315989 /nfs/dbraw/zinc/31/59/89/636315989.db2.gz OOKNYUUVKMJWHM-LBPRGKRZSA-N 1 1 265.303 3.133 20 30 CGEDMO CN(C)c1ccc(C[N@@H+]2Cc3ccc(C#N)cc3C2)cc1 ZINC000847046058 636321728 /nfs/dbraw/zinc/32/17/28/636321728.db2.gz PKGDFTGFDORHTK-UHFFFAOYSA-N 1 1 277.371 3.140 20 30 CGEDMO CN(C)c1ccc(C[N@H+]2Cc3ccc(C#N)cc3C2)cc1 ZINC000847046058 636321730 /nfs/dbraw/zinc/32/17/30/636321730.db2.gz PKGDFTGFDORHTK-UHFFFAOYSA-N 1 1 277.371 3.140 20 30 CGEDMO Fc1ccc(N=NC2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000848399423 636567456 /nfs/dbraw/zinc/56/74/56/636567456.db2.gz REBSEQZOWJNWCE-HNNXBMFYSA-N 1 1 261.344 3.242 20 30 CGEDMO C1CCC(ON=C2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000848408897 636569981 /nfs/dbraw/zinc/56/99/81/636569981.db2.gz FOTHHJGZJUNGFW-HNNXBMFYSA-N 1 1 250.386 3.340 20 30 CGEDMO C[C@H]1C[C@H]1C(N)=[NH+]OCc1ccccc1C(C)(C)C#N ZINC000848519084 636585148 /nfs/dbraw/zinc/58/51/48/636585148.db2.gz NCNCYZFWKGCUPW-WCQYABFASA-N 1 1 271.364 3.142 20 30 CGEDMO N#CCCCC[C@@H]([NH3+])c1nc(C2Cc3ccccc3C2)no1 ZINC000848622746 636622315 /nfs/dbraw/zinc/62/23/15/636622315.db2.gz YJFACLMHYWBENF-OAHLLOKOSA-N 1 1 296.374 3.036 20 30 CGEDMO C=C(C)CCOC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000848778203 636656391 /nfs/dbraw/zinc/65/63/91/636656391.db2.gz WCEACMGRLRYQGA-INIZCTEOSA-N 1 1 273.376 3.018 20 30 CGEDMO CCc1cccc(C[N@@H+](CCC#N)CC2CC2)c1O ZINC000848885944 636674452 /nfs/dbraw/zinc/67/44/52/636674452.db2.gz ORGKEHGMROOCBY-UHFFFAOYSA-N 1 1 258.365 3.080 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1cn(-c2ccccc2Cl)nc1C ZINC000848907855 636685333 /nfs/dbraw/zinc/68/53/33/636685333.db2.gz VAYWAEIKTSVCAO-GFCCVEGCSA-N 1 1 287.794 3.288 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cn(-c2ccccc2Cl)nc1C ZINC000848907855 636685338 /nfs/dbraw/zinc/68/53/38/636685338.db2.gz VAYWAEIKTSVCAO-GFCCVEGCSA-N 1 1 287.794 3.288 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cccc(OCC=C)c2)C1 ZINC000848923523 636694230 /nfs/dbraw/zinc/69/42/30/636694230.db2.gz MEXZJZGYRBYMTQ-OAHLLOKOSA-N 1 1 255.361 3.097 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC[C@@H](OC3CCC3)C2)cc1 ZINC000848925635 636697336 /nfs/dbraw/zinc/69/73/36/636697336.db2.gz ZOQXNFKGBRLWIU-GOSISDBHSA-N 1 1 269.388 3.201 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000848924640 636697485 /nfs/dbraw/zinc/69/74/85/636697485.db2.gz XHASZKKAMSKMDO-LLVKDONJSA-N 1 1 278.739 3.093 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000848924640 636697488 /nfs/dbraw/zinc/69/74/88/636697488.db2.gz XHASZKKAMSKMDO-LLVKDONJSA-N 1 1 278.739 3.093 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)OCCCCO3)C1 ZINC000848924737 636697812 /nfs/dbraw/zinc/69/78/12/636697812.db2.gz ZEAMYAWFKYGBHX-HNNXBMFYSA-N 1 1 285.387 3.083 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000133466506 636900477 /nfs/dbraw/zinc/90/04/77/636900477.db2.gz CTCURTSJXKYKFT-CQSZACIVSA-N 1 1 250.773 3.315 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000133466506 636900482 /nfs/dbraw/zinc/90/04/82/636900482.db2.gz CTCURTSJXKYKFT-CQSZACIVSA-N 1 1 250.773 3.315 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000134242374 637009581 /nfs/dbraw/zinc/00/95/81/637009581.db2.gz LHPBUFYCBDRRQF-RISCZKNCSA-N 1 1 251.757 3.063 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000134242374 637009585 /nfs/dbraw/zinc/00/95/85/637009585.db2.gz LHPBUFYCBDRRQF-RISCZKNCSA-N 1 1 251.757 3.063 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@H]2c2ccccc2)CCC1 ZINC000885929771 637317056 /nfs/dbraw/zinc/31/70/56/637317056.db2.gz ULMLFBZYIZARIU-SJORKVTESA-N 1 1 284.403 3.268 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CCC2(CCC2)CO1 ZINC000885937694 637321336 /nfs/dbraw/zinc/32/13/36/637321336.db2.gz HRIYTHKXMYXLSM-KRWDZBQOSA-N 1 1 284.403 3.339 20 30 CGEDMO C[C@H](c1ccccc1)[N@@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000885937474 637321427 /nfs/dbraw/zinc/32/14/27/637321427.db2.gz AAIOEMPCOVACPZ-GDBMZVCRSA-N 1 1 272.392 3.124 20 30 CGEDMO CCC(CC)[N@@H+](C[C@@H](O)CC1(C#N)CCC1)C1CC1 ZINC000885979968 637341728 /nfs/dbraw/zinc/34/17/28/637341728.db2.gz QCROZEAVMNNMQE-HNNXBMFYSA-N 1 1 264.413 3.084 20 30 CGEDMO CC[C@H]1CCCCC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886019309 637368324 /nfs/dbraw/zinc/36/83/24/637368324.db2.gz QGLMQKGUUFHPHX-GJZGRUSLSA-N 1 1 264.413 3.086 20 30 CGEDMO CCCCC[C@@H]1CCC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886043776 637383955 /nfs/dbraw/zinc/38/39/55/637383955.db2.gz JORVORIVKJXSTR-CVEARBPZSA-N 1 1 278.440 3.476 20 30 CGEDMO CCC[C@H](C)[C@H]1CCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886044179 637384052 /nfs/dbraw/zinc/38/40/52/637384052.db2.gz SOJLUNBJFKVCTA-ARFHVFGLSA-N 1 1 278.440 3.332 20 30 CGEDMO C[C@H](C1CCCCC1)[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000886192022 637454167 /nfs/dbraw/zinc/45/41/67/637454167.db2.gz DNNDCCSDXAHSBT-ZBFHGGJFSA-N 1 1 278.440 3.332 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2cc(C3CC3)no2)cc1 ZINC000886272368 637476415 /nfs/dbraw/zinc/47/64/15/637476415.db2.gz NZZDWGJFQBTNAP-LBPRGKRZSA-N 1 1 297.358 3.133 20 30 CGEDMO CC[N@@H+](C[C@@H]1COC(C)(C)O1)[C@H](C)c1ccc(C#N)cc1 ZINC000851736906 637485566 /nfs/dbraw/zinc/48/55/66/637485566.db2.gz XJSDKJCOWJKGCE-CZUORRHYSA-N 1 1 288.391 3.093 20 30 CGEDMO C#CC[C@H]1CC[N@H+](C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000886356124 637510663 /nfs/dbraw/zinc/51/06/63/637510663.db2.gz UHVLCPRUBCPZIN-WFASDCNBSA-N 1 1 297.320 3.084 20 30 CGEDMO C#CCOCC[NH2+]C1(c2c(Cl)cccc2Cl)CC1 ZINC000851906022 637541135 /nfs/dbraw/zinc/54/11/35/637541135.db2.gz RUOINQPCZLFCTM-UHFFFAOYSA-N 1 1 284.186 3.222 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+]Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000852103905 637597222 /nfs/dbraw/zinc/59/72/22/637597222.db2.gz VEMRWLRNQVGVLY-INIZCTEOSA-N 1 1 289.329 3.042 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2OC(F)F)C1 ZINC000852216309 637619643 /nfs/dbraw/zinc/61/96/43/637619643.db2.gz ZBAGQVNCJLPKHU-LLVKDONJSA-N 1 1 283.293 3.272 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cccc(F)c2OC(F)F)C1 ZINC000852216309 637619649 /nfs/dbraw/zinc/61/96/49/637619649.db2.gz ZBAGQVNCJLPKHU-LLVKDONJSA-N 1 1 283.293 3.272 20 30 CGEDMO C=CCCSCC[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886636061 637621529 /nfs/dbraw/zinc/62/15/29/637621529.db2.gz FOBAXCLTVRFKKN-NSHDSACASA-N 1 1 269.385 3.491 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](Cc1ccsc1)C(C)(C)C ZINC000852312150 637633177 /nfs/dbraw/zinc/63/31/77/637633177.db2.gz WSBFTUBGISUSSB-GFCCVEGCSA-N 1 1 266.410 3.277 20 30 CGEDMO N#C[C@@]1(c2ccccn2)CCC[N@H+](CCc2cccs2)C1 ZINC000852328523 637636962 /nfs/dbraw/zinc/63/69/62/637636962.db2.gz GZYQPEFVBDAINI-KRWDZBQOSA-N 1 1 297.427 3.243 20 30 CGEDMO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CCc2cccs2)C1 ZINC000852328523 637636967 /nfs/dbraw/zinc/63/69/67/637636967.db2.gz GZYQPEFVBDAINI-KRWDZBQOSA-N 1 1 297.427 3.243 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](C)COC ZINC000852356742 637642533 /nfs/dbraw/zinc/64/25/33/637642533.db2.gz MZDMZMGCEYUXPU-NSHDSACASA-N 1 1 298.770 3.271 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](C[C@@H](O)c2ccccc2F)C1 ZINC000852410544 637649230 /nfs/dbraw/zinc/64/92/30/637649230.db2.gz NFDFGMWCLOMNJU-CZUORRHYSA-N 1 1 263.356 3.147 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCC(=O)N3C)C1 ZINC000852411426 637649705 /nfs/dbraw/zinc/64/97/05/637649705.db2.gz UGKNIXNUJCWFNE-OAHLLOKOSA-N 1 1 298.430 3.384 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CC2(Br)CC2)C1 ZINC000852410667 637649825 /nfs/dbraw/zinc/64/98/25/637649825.db2.gz OYABGQWRTHSDIL-LLVKDONJSA-N 1 1 258.203 3.202 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000852411704 637649849 /nfs/dbraw/zinc/64/98/49/637649849.db2.gz UULRHQNRZZBZQV-HNNXBMFYSA-N 1 1 270.376 3.377 20 30 CGEDMO C=CC[N@@H+](C[C@H](O)c1ccc(F)cc1)C(C)(C)C ZINC000852552657 637676742 /nfs/dbraw/zinc/67/67/42/637676742.db2.gz BULHQHHMTBHKAN-AWEZNQCLSA-N 1 1 251.345 3.146 20 30 CGEDMO C#CCCC[N@@H+]1C[C@H](c2cccc(F)c2)OCC1(C)C ZINC000852548973 637677223 /nfs/dbraw/zinc/67/72/23/637677223.db2.gz AITGHEVVPSZLJI-MRXNPFEDSA-N 1 1 275.367 3.391 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)c1cc(F)ccc1F ZINC000852685370 637695535 /nfs/dbraw/zinc/69/55/35/637695535.db2.gz GJGTVMQJEQDXFS-DVOMOZLQSA-N 1 1 279.330 3.181 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)cc(C(C)=O)c1O ZINC000852685888 637695609 /nfs/dbraw/zinc/69/56/09/637695609.db2.gz MBOCHGDZBIBTQI-GASCZTMLSA-N 1 1 289.350 3.417 20 30 CGEDMO Clc1ccc(C#CC[N@H+]2CC[C@H]([C@H]3CCCO3)C2)cc1 ZINC000886815939 637702279 /nfs/dbraw/zinc/70/22/79/637702279.db2.gz LUAULWLQTLZOPS-DOTOQJQBSA-N 1 1 289.806 3.192 20 30 CGEDMO Clc1ccccc1C#CC[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886816211 637702616 /nfs/dbraw/zinc/70/26/16/637702616.db2.gz PIJYCMJGRDLLMD-NVXWUHKLSA-N 1 1 289.806 3.192 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886822234 637708066 /nfs/dbraw/zinc/70/80/66/637708066.db2.gz OAOPWVJHYHXSGN-XOKHGSTOSA-N 1 1 270.376 3.120 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2Cc3ccccc3OC3(CCC3)C2)o1 ZINC000887149911 637763961 /nfs/dbraw/zinc/76/39/61/637763961.db2.gz OYWVXYHHKCYFEO-UHFFFAOYSA-N 1 1 294.354 3.469 20 30 CGEDMO N#Cc1ccc(C[N@H+]2Cc3ccccc3OC3(CCC3)C2)o1 ZINC000887149911 637763970 /nfs/dbraw/zinc/76/39/70/637763970.db2.gz OYWVXYHHKCYFEO-UHFFFAOYSA-N 1 1 294.354 3.469 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(C(C)C)cc(=O)c2O)C1 ZINC000853518252 637860013 /nfs/dbraw/zinc/86/00/13/637860013.db2.gz LXJCBVBOIWYZIA-OAHLLOKOSA-N 1 1 299.414 3.111 20 30 CGEDMO C=CC[N@H+](Cn1cc(-c2ccccc2)cn1)[C@H](C)COC ZINC000853532740 637862259 /nfs/dbraw/zinc/86/22/59/637862259.db2.gz KVLQMPFIBFLISR-OAHLLOKOSA-N 1 1 285.391 3.031 20 30 CGEDMO C=CC[N@@H+](Cn1cc(-c2ccccc2)cn1)[C@H](C)COC ZINC000853532740 637862263 /nfs/dbraw/zinc/86/22/63/637862263.db2.gz KVLQMPFIBFLISR-OAHLLOKOSA-N 1 1 285.391 3.031 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cn2cc(C)cnc2=S)C1 ZINC000853536983 637864379 /nfs/dbraw/zinc/86/43/79/637864379.db2.gz LPYSMBCQJKCKME-ZDUSSCGKSA-N 1 1 263.410 3.167 20 30 CGEDMO CC(=O)c1ccc(C#N)cc1NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000853748966 637907278 /nfs/dbraw/zinc/90/72/78/637907278.db2.gz UWMUEXUHZOVYFN-CQSZACIVSA-N 1 1 285.391 3.046 20 30 CGEDMO CC(C)(C)[N@H+]1CC[C@H]1CNc1nc2ccccc2cc1C#N ZINC000853747280 637907394 /nfs/dbraw/zinc/90/73/94/637907394.db2.gz PGILBSXEKKYIAG-HNNXBMFYSA-N 1 1 294.402 3.391 20 30 CGEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2cc(O)cc(F)c2)CC1 ZINC000924983420 638433917 /nfs/dbraw/zinc/43/39/17/638433917.db2.gz BYRBKDAMLZRCIC-CYBMUJFWSA-N 1 1 292.398 3.222 20 30 CGEDMO C=C(C)C[NH+]1CCC(N[C@@H](C)c2cc(O)cc(F)c2)CC1 ZINC000924983421 638434399 /nfs/dbraw/zinc/43/43/99/638434399.db2.gz BYRBKDAMLZRCIC-ZDUSSCGKSA-N 1 1 292.398 3.222 20 30 CGEDMO C[C@H](CC(C)(C)C#N)[NH2+]Cc1ccc(F)c(CN(C)C)c1 ZINC000925075080 638447539 /nfs/dbraw/zinc/44/75/39/638447539.db2.gz OJNMDZLKECYXNX-CYBMUJFWSA-N 1 1 291.414 3.305 20 30 CGEDMO C=CCC[C@@H]([NH2+][C@H](C)c1cnn(C)n1)c1ccccc1 ZINC000925579535 638535587 /nfs/dbraw/zinc/53/55/87/638535587.db2.gz MAIZXNRVQATTSI-UKRRQHHQSA-N 1 1 270.380 3.173 20 30 CGEDMO C=CCOc1ccccc1C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857853275 638577939 /nfs/dbraw/zinc/57/79/39/638577939.db2.gz AKOJHWIUXLCHHF-HNNXBMFYSA-N 1 1 283.375 3.142 20 30 CGEDMO C=CCOc1ccccc1C[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000857853275 638577941 /nfs/dbraw/zinc/57/79/41/638577941.db2.gz AKOJHWIUXLCHHF-HNNXBMFYSA-N 1 1 283.375 3.142 20 30 CGEDMO C=CCCC[C@H](N[C@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000925764573 638601556 /nfs/dbraw/zinc/60/15/56/638601556.db2.gz HRTOGEDVLDHAEV-PBHICJAKSA-N 1 1 258.409 3.282 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858050515 638621329 /nfs/dbraw/zinc/62/13/29/638621329.db2.gz GDXAMNVHODBOSQ-XJKSGUPXSA-N 1 1 285.391 3.104 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858050506 638621476 /nfs/dbraw/zinc/62/14/76/638621476.db2.gz GDXAMNVHODBOSQ-BBRMVZONSA-N 1 1 285.391 3.104 20 30 CGEDMO C[C@@H]1C[C@@H]([NH2+][C@H](CCCC#N)c2ccccc2)c2ncnn21 ZINC000926479775 638775054 /nfs/dbraw/zinc/77/50/54/638775054.db2.gz MGERRMTWCPZSTR-FVQBIDKESA-N 1 1 295.390 3.309 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1cccc2c1OCO2 ZINC000926874322 638820085 /nfs/dbraw/zinc/82/00/85/638820085.db2.gz OUJFPPTXPWQLDD-GFCCVEGCSA-N 1 1 272.348 3.150 20 30 CGEDMO CC[C@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1ccc(C#N)cc1 ZINC000927107162 638842574 /nfs/dbraw/zinc/84/25/74/638842574.db2.gz HOGLOCXGYFNSIM-KRWDZBQOSA-N 1 1 294.402 3.410 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H](CC)CO ZINC000929131147 638901134 /nfs/dbraw/zinc/90/11/34/638901134.db2.gz MGLPUACHQMWMJK-SNVBAGLBSA-N 1 1 259.802 3.160 20 30 CGEDMO C[N@@H+](CCCC(C)(F)F)Cc1ccc(C#N)cc1 ZINC000929162725 638904102 /nfs/dbraw/zinc/90/41/02/638904102.db2.gz SPJTYNYVRWEEBK-UHFFFAOYSA-N 1 1 252.308 3.425 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2cncc(C#N)c2)Cc2ccccc21 ZINC000929217430 638909777 /nfs/dbraw/zinc/90/97/77/638909777.db2.gz BDUGWRURAXUZIU-CYBMUJFWSA-N 1 1 263.344 3.073 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cncc(C#N)c2)Cc2ccccc21 ZINC000929217430 638909778 /nfs/dbraw/zinc/90/97/78/638909778.db2.gz BDUGWRURAXUZIU-CYBMUJFWSA-N 1 1 263.344 3.073 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c1 ZINC000929266098 638913463 /nfs/dbraw/zinc/91/34/63/638913463.db2.gz HLFDDOBLJLJEOB-LBPRGKRZSA-N 1 1 290.794 3.213 20 30 CGEDMO C#CC[N@@H+](Cc1cnc(CC)o1)[C@@H]1CCc2ccccc21 ZINC000929333669 638919346 /nfs/dbraw/zinc/91/93/46/638919346.db2.gz JAQNWQAMJLKXKO-QGZVFWFLSA-N 1 1 280.371 3.360 20 30 CGEDMO C#CC[N@H+](Cc1cnc(CC)o1)[C@@H]1CCc2ccccc21 ZINC000929333669 638919349 /nfs/dbraw/zinc/91/93/49/638919349.db2.gz JAQNWQAMJLKXKO-QGZVFWFLSA-N 1 1 280.371 3.360 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1cnn(CCF)c1 ZINC000929362408 638921259 /nfs/dbraw/zinc/92/12/59/638921259.db2.gz QEZMUWKJBBXRKR-UHFFFAOYSA-N 1 1 287.382 3.083 20 30 CGEDMO N#CC1(CCCC[N@@H+]2CCC[C@H]2CN2CCCC2)CCC1 ZINC000929479167 638927628 /nfs/dbraw/zinc/92/76/28/638927628.db2.gz GJTSRBTVILPXPL-KRWDZBQOSA-N 1 1 289.467 3.411 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCC[C@H]2CN2CCCC2)CCC1 ZINC000929479167 638927629 /nfs/dbraw/zinc/92/76/29/638927629.db2.gz GJTSRBTVILPXPL-KRWDZBQOSA-N 1 1 289.467 3.411 20 30 CGEDMO CCC(CC)[N@@H+](CCOC)CC1CCC(C#N)CC1 ZINC000929504897 638929119 /nfs/dbraw/zinc/92/91/19/638929119.db2.gz QYGSDQJPZMLIBO-UHFFFAOYSA-N 1 1 266.429 3.453 20 30 CGEDMO CCOCC[N@@H+](CC)Cc1c(C)cc(C#N)cc1C ZINC000929600759 638933580 /nfs/dbraw/zinc/93/35/80/638933580.db2.gz IQKPHGMFEFGQBA-UHFFFAOYSA-N 1 1 260.381 3.034 20 30 CGEDMO C=CC[N@@H+](Cc1noc2c1COCC2)CC1CCCCC1 ZINC000929626129 638935377 /nfs/dbraw/zinc/93/53/77/638935377.db2.gz YSOOTRKPLDIRHK-UHFFFAOYSA-N 1 1 290.407 3.316 20 30 CGEDMO C=CC[N@H+](Cc1noc2c1COCC2)CC1CCCCC1 ZINC000929626129 638935379 /nfs/dbraw/zinc/93/53/79/638935379.db2.gz YSOOTRKPLDIRHK-UHFFFAOYSA-N 1 1 290.407 3.316 20 30 CGEDMO CC(C)C[C@H]1COCC[N@H+]1CC1CCC(C#N)CC1 ZINC000929644178 638936920 /nfs/dbraw/zinc/93/69/20/638936920.db2.gz OEVBTMJEHDWCIO-GPANFISMSA-N 1 1 264.413 3.063 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000929679042 638940534 /nfs/dbraw/zinc/94/05/34/638940534.db2.gz QJEXNVDUKSFNDD-NVXWUHKLSA-N 1 1 286.419 3.104 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000929679042 638940536 /nfs/dbraw/zinc/94/05/36/638940536.db2.gz QJEXNVDUKSFNDD-NVXWUHKLSA-N 1 1 286.419 3.104 20 30 CGEDMO CCC(CC)CN(CCC#N)Cc1[nH]c(C)[nH+]c1C ZINC000929778338 638949675 /nfs/dbraw/zinc/94/96/75/638949675.db2.gz HDTZMWJEYMMXMD-UHFFFAOYSA-N 1 1 262.401 3.178 20 30 CGEDMO CCOC[C@@H]1CC[N@@H+](Cc2c(C)cc(C#N)cc2C)C1 ZINC000929782570 638951316 /nfs/dbraw/zinc/95/13/16/638951316.db2.gz WWSWXWIWJIWIBD-OAHLLOKOSA-N 1 1 272.392 3.034 20 30 CGEDMO C[N@@H+](CCCCC1(C#N)CCC1)C1CCC(CO)CC1 ZINC000930054471 638970952 /nfs/dbraw/zinc/97/09/52/638970952.db2.gz PEIOUOPMSUPQAG-UHFFFAOYSA-N 1 1 278.440 3.333 20 30 CGEDMO CN1CC[N@@H+](CC2CCC(C#N)CC2)[C@@H](c2ccccc2)C1 ZINC000930107835 638974569 /nfs/dbraw/zinc/97/45/69/638974569.db2.gz BZRIQCQZEXFOOA-FAFZWHIHSA-N 1 1 297.446 3.305 20 30 CGEDMO C[C@H](CO)[N@@H+](CCCCC1(C#N)CCC1)CC1CCC1 ZINC000930292778 638988843 /nfs/dbraw/zinc/98/88/43/638988843.db2.gz JNMLFEAQFNGUTI-OAHLLOKOSA-N 1 1 278.440 3.333 20 30 CGEDMO C[N@H+](CCCCC1(C#N)CCC1)CCCN1CCCC1 ZINC000930310595 638990195 /nfs/dbraw/zinc/99/01/95/638990195.db2.gz JOZKWPYDXGTTGE-UHFFFAOYSA-N 1 1 277.456 3.268 20 30 CGEDMO C[N@@H+](CCCCC1(C#N)CCC1)CCCN1CCCC1 ZINC000930310595 638990196 /nfs/dbraw/zinc/99/01/96/638990196.db2.gz JOZKWPYDXGTTGE-UHFFFAOYSA-N 1 1 277.456 3.268 20 30 CGEDMO CC[C@@H]1C[N@H+](CCCCC2(C#N)CCC2)C[C@H](C)[S@]1=O ZINC000930458564 639002497 /nfs/dbraw/zinc/00/24/97/639002497.db2.gz PUCDBMCMNLJGJD-BXTJHSDWSA-N 1 1 296.480 3.082 20 30 CGEDMO CC[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)C[C@H](C)[S@]1=O ZINC000930458564 639002501 /nfs/dbraw/zinc/00/25/01/639002501.db2.gz PUCDBMCMNLJGJD-BXTJHSDWSA-N 1 1 296.480 3.082 20 30 CGEDMO C#CCCCCCC[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000930517479 639017530 /nfs/dbraw/zinc/01/75/30/639017530.db2.gz WTTXIFPCPJRWLZ-QGZVFWFLSA-N 1 1 256.393 3.455 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000930623823 639040355 /nfs/dbraw/zinc/04/03/55/639040355.db2.gz VALPPPMRCSRDQT-QRQLOZEOSA-N 1 1 298.430 3.301 20 30 CGEDMO N#CC1(CCCC[N@@H+]2CCC(=O)CC23CCC3)CCC1 ZINC000930740940 639062357 /nfs/dbraw/zinc/06/23/57/639062357.db2.gz FLPZIFDFBSHXRQ-UHFFFAOYSA-N 1 1 274.408 3.438 20 30 CGEDMO C[N@@H+](CC1CCC(C#N)CC1)C[C@@]1(O)CCc2ccccc21 ZINC000930812927 639071262 /nfs/dbraw/zinc/07/12/62/639071262.db2.gz VXDKDAFKSZDKSA-RJYAGPCLSA-N 1 1 298.430 3.082 20 30 CGEDMO C=CC[N@@H+](C[C@H]1CC[C@@H](C(F)(F)F)O1)C(C)(C)C ZINC000931017215 639098489 /nfs/dbraw/zinc/09/84/89/639098489.db2.gz NXUIATCYEAGMGQ-MNOVXSKESA-N 1 1 265.319 3.383 20 30 CGEDMO C[C@@]1(C(F)F)C[N@H+](CCCCC2(C#N)CCC2)CCO1 ZINC000931078832 639108378 /nfs/dbraw/zinc/10/83/78/639108378.db2.gz CDGCYGUUBXLGOC-AWEZNQCLSA-N 1 1 286.366 3.207 20 30 CGEDMO C[C@@]1(C(F)F)C[N@@H+](CCCCC2(C#N)CCC2)CCO1 ZINC000931078832 639108380 /nfs/dbraw/zinc/10/83/80/639108380.db2.gz CDGCYGUUBXLGOC-AWEZNQCLSA-N 1 1 286.366 3.207 20 30 CGEDMO CC1(C)Cc2n[nH]cc2C[N@H+](CC2CCC(C#N)CC2)C1 ZINC000931083538 639109066 /nfs/dbraw/zinc/10/90/66/639109066.db2.gz PKIOEFKKGKKKJF-UHFFFAOYSA-N 1 1 286.423 3.124 20 30 CGEDMO C#CCCC[N@H+]1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC000931370030 639141447 /nfs/dbraw/zinc/14/14/47/639141447.db2.gz LKRIBIDWPXIPMU-AWEZNQCLSA-N 1 1 267.376 3.156 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC000931372003 639141893 /nfs/dbraw/zinc/14/18/93/639141893.db2.gz HVFJLROSKDSXEW-ZIAGYGMSSA-N 1 1 282.391 3.435 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](C[C@H]2CN(C3CCCCC3)C(=O)O2)C1 ZINC000859445935 639142733 /nfs/dbraw/zinc/14/27/33/639142733.db2.gz RQPUHGQOOAUSOS-HOCLYGCPSA-N 1 1 292.423 3.038 20 30 CGEDMO N#Cc1ccc(OCCC[N@@H+]2CCCC(F)(F)CC2)cc1 ZINC000859534775 639157603 /nfs/dbraw/zinc/15/76/03/639157603.db2.gz NFUWBUSUBQWERI-UHFFFAOYSA-N 1 1 294.345 3.448 20 30 CGEDMO C#CCCCCCC[N@H+]1CCC[C@H](c2ncccn2)C1 ZINC000931748579 639200313 /nfs/dbraw/zinc/20/03/13/639200313.db2.gz BRYDDDKLXZHWLY-INIZCTEOSA-N 1 1 271.408 3.240 20 30 CGEDMO N#CCC1(C[N@@H+]2CCc3nc[nH]c3[C@H]2c2ccccc2)CC1 ZINC000931802601 639209503 /nfs/dbraw/zinc/20/95/03/639209503.db2.gz QOKYJFRJVDCNFL-QGZVFWFLSA-N 1 1 292.386 3.051 20 30 CGEDMO N#CCC1(C[N@H+]2CCc3nc[nH]c3[C@H]2c2ccccc2)CC1 ZINC000931802601 639209506 /nfs/dbraw/zinc/20/95/06/639209506.db2.gz QOKYJFRJVDCNFL-QGZVFWFLSA-N 1 1 292.386 3.051 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)c(F)c1 ZINC000931932938 639236995 /nfs/dbraw/zinc/23/69/95/639236995.db2.gz FBLWBYJJCJFSOK-MJGOQNOKSA-N 1 1 292.357 3.471 20 30 CGEDMO CCCCCCCCN1CC[NH+](CCCF)CC1 ZINC000860008335 639265855 /nfs/dbraw/zinc/26/58/55/639265855.db2.gz VJBQKHPLVCRQFI-UHFFFAOYSA-N 1 1 258.425 3.324 20 30 CGEDMO CC(C)O[C@@H](C[N@@H+]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000932155141 639277645 /nfs/dbraw/zinc/27/76/45/639277645.db2.gz XDLFCYZHZAWMRA-RDJZCZTQSA-N 1 1 272.392 3.388 20 30 CGEDMO CC(C)O[C@@H](C[N@H+]1CCC[C@@H](C#N)C1)c1ccccc1 ZINC000932155141 639277662 /nfs/dbraw/zinc/27/76/62/639277662.db2.gz XDLFCYZHZAWMRA-RDJZCZTQSA-N 1 1 272.392 3.388 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC000860103400 639283087 /nfs/dbraw/zinc/28/30/87/639283087.db2.gz NMYIXPGDYQSFAE-LBPRGKRZSA-N 1 1 269.747 3.376 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC000860103400 639283096 /nfs/dbraw/zinc/28/30/96/639283096.db2.gz NMYIXPGDYQSFAE-LBPRGKRZSA-N 1 1 269.747 3.376 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000932199659 639296640 /nfs/dbraw/zinc/29/66/40/639296640.db2.gz ZGBQNCIMGQRVMN-CHWSQXEVSA-N 1 1 250.411 3.362 20 30 CGEDMO C#CC[N@@H+](Cc1ncc(-c2ccc(OC)cc2)o1)C(C)C ZINC000932392772 639323884 /nfs/dbraw/zinc/32/38/84/639323884.db2.gz PYKZSZZLJUIIEM-UHFFFAOYSA-N 1 1 284.359 3.194 20 30 CGEDMO C#CC[N@H+](Cc1ncc(-c2ccc(OC)cc2)o1)C(C)C ZINC000932392772 639323889 /nfs/dbraw/zinc/32/38/89/639323889.db2.gz PYKZSZZLJUIIEM-UHFFFAOYSA-N 1 1 284.359 3.194 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCC[C@H](C3CCOCC3)C2)cc1 ZINC000933082181 639413862 /nfs/dbraw/zinc/41/38/62/639413862.db2.gz SUABTRLSOKQOIN-IBGZPJMESA-N 1 1 298.430 3.391 20 30 CGEDMO N#Cc1ccc(C2CC[NH+](CCN3CCCCC3)CC2)cc1 ZINC000933613314 639469522 /nfs/dbraw/zinc/46/95/22/639469522.db2.gz YICYPXZRUQISNU-UHFFFAOYSA-N 1 1 297.446 3.224 20 30 CGEDMO N#Cc1ccc([C@H]2C[N@@H+](CCc3ccccc3)CCO2)cc1 ZINC000933625723 639470563 /nfs/dbraw/zinc/47/05/63/639470563.db2.gz ROHGODULDFZZSU-LJQANCHMSA-N 1 1 292.382 3.174 20 30 CGEDMO C=CCCC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000117881474 639481911 /nfs/dbraw/zinc/48/19/11/639481911.db2.gz TWXWJVNFHMJBFF-INIZCTEOSA-N 1 1 275.392 3.339 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1CCC(=O)N1CCCc2ccccc21 ZINC000934463522 639612257 /nfs/dbraw/zinc/61/22/57/639612257.db2.gz JGWOVUBMTYAVPZ-MRXNPFEDSA-N 1 1 284.403 3.006 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000934473027 639616840 /nfs/dbraw/zinc/61/68/40/639616840.db2.gz UKTVSIYDQMGKMC-DVOMOZLQSA-N 1 1 290.382 3.042 20 30 CGEDMO C=CCCC[N@@H+](CC)CC(=O)Nc1ccc(C(C)=O)cc1 ZINC000934647392 639648204 /nfs/dbraw/zinc/64/82/04/639648204.db2.gz YMBBBZPBGWOMEX-UHFFFAOYSA-N 1 1 288.391 3.116 20 30 CGEDMO C=CCCC[N@H+](CC)CC(=O)Nc1ccc(C(C)=O)cc1 ZINC000934647392 639648206 /nfs/dbraw/zinc/64/82/06/639648206.db2.gz YMBBBZPBGWOMEX-UHFFFAOYSA-N 1 1 288.391 3.116 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)c1 ZINC000934881108 639699058 /nfs/dbraw/zinc/69/90/58/639699058.db2.gz WHSVINNQVMCNBH-CQSZACIVSA-N 1 1 299.418 3.492 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000934885559 639701365 /nfs/dbraw/zinc/70/13/65/639701365.db2.gz MXLBWICSYPGFQL-WBVHZDCISA-N 1 1 299.418 3.278 20 30 CGEDMO Cc1cc(C#N)ccc1NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000044364616 639969409 /nfs/dbraw/zinc/96/94/09/639969409.db2.gz DQRSVVSQLZXHCE-OAHLLOKOSA-N 1 1 257.381 3.009 20 30 CGEDMO N#Cc1ccc(CO[NH+]=C(N)CCc2ccccc2)cc1F ZINC000190062070 640222108 /nfs/dbraw/zinc/22/21/08/640222108.db2.gz WEUVRYWBLAHREP-UHFFFAOYSA-N 1 1 297.333 3.119 20 30 CGEDMO C=CC[N@H+](CC1CCCCC1)Cn1cc2[nH]cccc-2c1=O ZINC000190249832 640235205 /nfs/dbraw/zinc/23/52/05/640235205.db2.gz PDVSEZVGSMEANA-UHFFFAOYSA-N 1 1 299.418 3.063 20 30 CGEDMO C=CC[N@@H+](CC1CCCCC1)Cn1cc2[nH]cccc-2c1=O ZINC000190249832 640235213 /nfs/dbraw/zinc/23/52/13/640235213.db2.gz PDVSEZVGSMEANA-UHFFFAOYSA-N 1 1 299.418 3.063 20 30 CGEDMO CCCCCCCCC[N@@H+](CC)[C@H]1CCS(=O)(=O)C1 ZINC000192082358 640349319 /nfs/dbraw/zinc/34/93/19/640349319.db2.gz BBRNZSKEUHDJSQ-HNNXBMFYSA-N 1 1 289.485 3.246 20 30 CGEDMO Cc1csc([C@H](C)[NH2+]Cc2ccc(OCC#N)cc2)n1 ZINC000080274060 640460304 /nfs/dbraw/zinc/46/03/04/640460304.db2.gz MQWBKBXQSGMAQJ-LBPRGKRZSA-N 1 1 287.388 3.205 20 30 CGEDMO C=C(Br)C[NH+]1CCC(OCCC(C)C)CC1 ZINC000194112270 640513452 /nfs/dbraw/zinc/51/34/52/640513452.db2.gz QVCZQALBPLNGLQ-UHFFFAOYSA-N 1 1 290.245 3.422 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2ccoc2CC)C1 ZINC001007245795 640691237 /nfs/dbraw/zinc/69/12/37/640691237.db2.gz NVMIYEPXQNFBQZ-AWEZNQCLSA-N 1 1 290.407 3.002 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+](C)C[C@@H]2CCCCO2)cc1 ZINC000092428282 640736528 /nfs/dbraw/zinc/73/65/28/640736528.db2.gz QZUOHGTZSOVLHC-SFHVURJKSA-N 1 1 287.403 3.090 20 30 CGEDMO CN(CCC#N)c1ccc(C=[NH+]Nc2ccccc2)cc1 ZINC000254291070 640907146 /nfs/dbraw/zinc/90/71/46/640907146.db2.gz HXTLFWUDYKQXRT-UHFFFAOYSA-N 1 1 278.359 3.482 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2cc(C)c(C)o2)C1 ZINC001007118523 640939264 /nfs/dbraw/zinc/93/92/64/640939264.db2.gz BVMAJFPFDRHVFK-HNNXBMFYSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001007073665 640939751 /nfs/dbraw/zinc/93/97/51/640939751.db2.gz SRLHNEMZJFAKGY-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001007057116 640939787 /nfs/dbraw/zinc/93/97/87/640939787.db2.gz JXVRNVXHOYWLJU-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001008084370 640946884 /nfs/dbraw/zinc/94/68/84/640946884.db2.gz SVBLEODTBAKJGL-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CCC[N@@H+](CCC3CC3)C2)CC1 ZINC001008420019 640951179 /nfs/dbraw/zinc/95/11/79/640951179.db2.gz TWOMPOALSFRVEI-KRWDZBQOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2cc(C)ccc2C)C1 ZINC001009326976 640958709 /nfs/dbraw/zinc/95/87/09/640958709.db2.gz LAQQWBLJDRORSP-INIZCTEOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC)cc2)C1 ZINC001009382742 640959437 /nfs/dbraw/zinc/95/94/37/640959437.db2.gz BTSVIFVYOSWSBW-KRWDZBQOSA-N 1 1 286.419 3.019 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC001009405540 640959602 /nfs/dbraw/zinc/95/96/02/640959602.db2.gz YIJUAULONYZFMX-KRWDZBQOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001009659096 640962150 /nfs/dbraw/zinc/96/21/50/640962150.db2.gz KMWZSZDJUSTBJX-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2sc(C)cc2C)C1 ZINC001014591723 640973393 /nfs/dbraw/zinc/97/33/93/640973393.db2.gz VLOMXRAKUDIIEX-AWEZNQCLSA-N 1 1 292.448 3.135 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(CCC)cc2)C1 ZINC001015630350 640982414 /nfs/dbraw/zinc/98/24/14/640982414.db2.gz ZEJHUOABQUWIJX-KRWDZBQOSA-N 1 1 286.419 3.019 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc(C(F)F)cc2)C1 ZINC001015862455 640986536 /nfs/dbraw/zinc/98/65/36/640986536.db2.gz ZXXHMCUIWNANJX-AWEZNQCLSA-N 1 1 294.345 3.004 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccsc2Cl)C1 ZINC001015793469 640987087 /nfs/dbraw/zinc/98/70/87/640987087.db2.gz CXXUQTDRBAKZCB-LLVKDONJSA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cc(C(C)C)oc2C)C1 ZINC001015924383 640988146 /nfs/dbraw/zinc/98/81/46/640988146.db2.gz KHDJWNMDTVRLJO-AWEZNQCLSA-N 1 1 290.407 3.092 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(C)C)s2)C1 ZINC001016363569 640996702 /nfs/dbraw/zinc/99/67/02/640996702.db2.gz RBHIMSJWUGCMQI-CYBMUJFWSA-N 1 1 292.448 3.252 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[C@@H](C)C1 ZINC001017821744 641017674 /nfs/dbraw/zinc/01/76/74/641017674.db2.gz GYXVXEZWWVVQNA-VQHPVUNQSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC(C)(C)C1 ZINC001017906857 641018615 /nfs/dbraw/zinc/01/86/15/641018615.db2.gz DMSBNUILAQBZBX-OAGGEKHMSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC(C)(C)C1 ZINC001017906857 641018621 /nfs/dbraw/zinc/01/86/21/641018621.db2.gz DMSBNUILAQBZBX-OAGGEKHMSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CC1CCCC1 ZINC001018026358 641019499 /nfs/dbraw/zinc/01/94/99/641019499.db2.gz COBGZUCXFASKGY-OIISXLGYSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CC1CCCC1 ZINC001018026358 641019502 /nfs/dbraw/zinc/01/95/02/641019502.db2.gz COBGZUCXFASKGY-OIISXLGYSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC12CC2 ZINC001155476779 805584706 /nfs/dbraw/zinc/58/47/06/805584706.db2.gz BZQDRXJDSNYIBI-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)CCC(C)C ZINC001155484672 805586082 /nfs/dbraw/zinc/58/60/82/805586082.db2.gz MMYKPZBUMWYLTI-OAHLLOKOSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)CC1CCCC1 ZINC001155589248 805595277 /nfs/dbraw/zinc/59/52/77/805595277.db2.gz FCMHRXJVDVALIT-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001156496962 805703450 /nfs/dbraw/zinc/70/34/50/805703450.db2.gz IFEOJCINWUOWKD-BRWVUGGUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)CCc1ccccc1 ZINC001156566631 805714407 /nfs/dbraw/zinc/71/44/07/805714407.db2.gz IIZNKAVDGBXMMA-MRXNPFEDSA-N 1 1 288.435 3.022 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1cc(C)cc(C)c1 ZINC001156606813 805718839 /nfs/dbraw/zinc/71/88/39/805718839.db2.gz RLDIUYPBXQGVIM-MRXNPFEDSA-N 1 1 288.435 3.320 20 30 CGEDMO C=CCCCC[N@H+](C)C[C@@H](O)COc1ccc(Cl)cc1 ZINC001250670432 805752972 /nfs/dbraw/zinc/75/29/72/805752972.db2.gz COBVVZXTYHAPLT-OAHLLOKOSA-N 1 1 297.826 3.368 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)Cc1ccc(C)s1 ZINC001157091759 805776219 /nfs/dbraw/zinc/77/62/19/805776219.db2.gz AFCBLCBGXGHFDZ-CYBMUJFWSA-N 1 1 294.464 3.002 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](CCCC)C(C)C ZINC001157158873 805785641 /nfs/dbraw/zinc/78/56/41/805785641.db2.gz OGHQFGBIYSGGEM-SJORKVTESA-N 1 1 294.483 3.299 20 30 CGEDMO C[NH+](C)Cc1ccc2nc(-c3ccc(C#N)cc3F)[nH]c2c1 ZINC001250844764 805785839 /nfs/dbraw/zinc/78/58/39/805785839.db2.gz UEFKBUDEAWCNAV-UHFFFAOYSA-N 1 1 294.333 3.302 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](CCC)CC(C)C ZINC001157190288 805787638 /nfs/dbraw/zinc/78/76/38/805787638.db2.gz ISNZQTXOBKHGCC-CVEARBPZSA-N 1 1 282.472 3.461 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](CCC)CC(C)C ZINC001157190247 805788443 /nfs/dbraw/zinc/78/84/43/805788443.db2.gz HKXCSYHUBQCDIJ-IAGOWNOFSA-N 1 1 294.483 3.299 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)CCCC1CCCC1 ZINC001157184050 805788457 /nfs/dbraw/zinc/78/84/57/805788457.db2.gz JGDIOADJNASTNG-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)C1(C)CCC(C)CC1 ZINC001157203528 805788999 /nfs/dbraw/zinc/78/89/99/805788999.db2.gz SRCYTIIZFAUGQW-UPTPFMHGSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC=CCC1 ZINC001157504237 805825666 /nfs/dbraw/zinc/82/56/66/805825666.db2.gz YJRODQOBIHETNY-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccsc1 ZINC001157529362 805828149 /nfs/dbraw/zinc/82/81/49/805828149.db2.gz YXMMXZJMOQLTPW-OAHLLOKOSA-N 1 1 292.448 3.251 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCCCC ZINC001157540519 805829460 /nfs/dbraw/zinc/82/94/60/805829460.db2.gz AJDUUPFIFMCIEG-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCN(c1nc(N2CCCCC2)cc[nH+]1)C(C)(C)C ZINC001157585077 805840336 /nfs/dbraw/zinc/84/03/36/805840336.db2.gz UJIWKCNYDBQFJJ-UHFFFAOYSA-N 1 1 274.412 3.258 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCC1CC1 ZINC001157722370 805857820 /nfs/dbraw/zinc/85/78/20/805857820.db2.gz ADYJKEFLMWSDDL-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)/C=C/C1CC1 ZINC001157755934 805861833 /nfs/dbraw/zinc/86/18/33/805861833.db2.gz WIDHAXSTVZJIKX-XVJNWHFHSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)/C=C/C1CC1 ZINC001157755934 805861838 /nfs/dbraw/zinc/86/18/38/805861838.db2.gz WIDHAXSTVZJIKX-XVJNWHFHSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CC[N@H+](C[C@@H](O)COc1ccccc1)C1CCCCC1 ZINC001251199733 805861958 /nfs/dbraw/zinc/86/19/58/805861958.db2.gz NRNODAOPRVAHLF-QGZVFWFLSA-N 1 1 289.419 3.247 20 30 CGEDMO Cc1cc(C#N)ccc1-c1nc2ccc(C[NH+](C)C)cc2[nH]1 ZINC001251262913 805875266 /nfs/dbraw/zinc/87/52/66/805875266.db2.gz XTIRWMYJROARKP-UHFFFAOYSA-N 1 1 290.370 3.472 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C1CC(C)(C)C1 ZINC001157892855 805901512 /nfs/dbraw/zinc/90/15/12/805901512.db2.gz QYBJTNMMBKBYTR-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)CC[C@@H](C)F ZINC001158018720 805915673 /nfs/dbraw/zinc/91/56/73/805915673.db2.gz HZJHFYCCFUZWNX-HZPDHXFCSA-N 1 1 298.446 3.404 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CC1(C)CC1 ZINC001158238222 805930002 /nfs/dbraw/zinc/93/00/02/805930002.db2.gz PVYXYDJAFNCSHE-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1C ZINC001158316894 805936821 /nfs/dbraw/zinc/93/68/21/805936821.db2.gz WAFWFHNUUAOUMW-QBPKDAKJSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](F)CC ZINC001158329076 805937963 /nfs/dbraw/zinc/93/79/63/805937963.db2.gz ISUCDQVTHGIFNZ-HUUCEWRRSA-N 1 1 284.419 3.014 20 30 CGEDMO C=CCCCCCN(C)C(=O)[C@H]1CCCC[N@@H+]1CCC ZINC001252038964 805979184 /nfs/dbraw/zinc/97/91/84/805979184.db2.gz IZNGBAOTONBJGW-MRXNPFEDSA-N 1 1 280.456 3.456 20 30 CGEDMO CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](CC)CCC ZINC001158667257 805982749 /nfs/dbraw/zinc/98/27/49/805982749.db2.gz MYRKOQSUYCBTNF-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO CCCCCCCC[C@H](O)C[NH2+]Cc1nc(CC)co1 ZINC001252119551 806006460 /nfs/dbraw/zinc/00/64/60/806006460.db2.gz ABOMULQZXLZJEQ-HNNXBMFYSA-N 1 1 282.428 3.438 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1C[C@@H](C)[C@@H](F)C1 ZINC001252123586 806010974 /nfs/dbraw/zinc/01/09/74/806010974.db2.gz JOXVFSIOGOIIRZ-KFWWJZLASA-N 1 1 259.409 3.388 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@@H](O)[C@@H](C)C1 ZINC001252123551 806011813 /nfs/dbraw/zinc/01/18/13/806011813.db2.gz IXQDHNAQKMVDQM-YESZJQIVSA-N 1 1 285.472 3.191 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCOC[C@@H](C)C1 ZINC001252125007 806012718 /nfs/dbraw/zinc/01/27/18/806012718.db2.gz VNCJTIWLEGWKEI-HOTGVXAUSA-N 1 1 271.445 3.066 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+](C)Cc1ccon1 ZINC001252130049 806014773 /nfs/dbraw/zinc/01/47/73/806014773.db2.gz JOYRPCGWHQSOEE-OAHLLOKOSA-N 1 1 268.401 3.218 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+](C)Cc1ccon1 ZINC001252130049 806014778 /nfs/dbraw/zinc/01/47/78/806014778.db2.gz JOYRPCGWHQSOEE-OAHLLOKOSA-N 1 1 268.401 3.218 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)CCC)CC1 ZINC001159079773 806039626 /nfs/dbraw/zinc/03/96/26/806039626.db2.gz KOXSBSUZXLJEGB-HNNXBMFYSA-N 1 1 278.440 3.280 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC001252556760 806062878 /nfs/dbraw/zinc/06/28/78/806062878.db2.gz DSMXZWWFMRZZDM-DLBZAZTESA-N 1 1 259.393 3.193 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1CCC[C@@H](CCc2ccccc2)C1 ZINC001252558723 806063771 /nfs/dbraw/zinc/06/37/71/806063771.db2.gz YZRLJWHXIZQTOD-ROUUACIJSA-N 1 1 273.420 3.268 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1CCC[C@H]1c1cc2ccccc2[nH]1 ZINC001252555321 806064738 /nfs/dbraw/zinc/06/47/38/806064738.db2.gz RTDNRUNJOCXKOJ-IRXDYDNUSA-N 1 1 270.376 3.242 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001252556000 806065048 /nfs/dbraw/zinc/06/50/48/806065048.db2.gz AFNTUPKJXBBNMH-DZGCQCFKSA-N 1 1 299.336 3.432 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+](C)[C@H](C)c1ccccc1Cl ZINC001252559148 806066480 /nfs/dbraw/zinc/06/64/80/806066480.db2.gz RNHSVLPMEJLABJ-BXUZGUMPSA-N 1 1 253.773 3.270 20 30 CGEDMO C=CCC[C@@H](O)CNc1cc[nH+]c2ccc(Cl)cc12 ZINC001252587465 806077327 /nfs/dbraw/zinc/07/73/27/806077327.db2.gz DRPXMSKODWLBMZ-GFCCVEGCSA-N 1 1 276.767 3.049 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001252600182 806080534 /nfs/dbraw/zinc/08/05/34/806080534.db2.gz YUZJRJQWVXFBST-SFHVURJKSA-N 1 1 288.435 3.046 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)C2CC=CC2)CC1 ZINC001159651448 806142638 /nfs/dbraw/zinc/14/26/38/806142638.db2.gz IQNUDXGVKVGWPN-UHFFFAOYSA-N 1 1 288.435 3.057 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001252980402 806145747 /nfs/dbraw/zinc/14/57/47/806145747.db2.gz TXEKATHMMNWHCH-FGTMMUONSA-N 1 1 297.483 3.456 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[NH2+]Cc1nnc(C)o1 ZINC001252989903 806150190 /nfs/dbraw/zinc/15/01/90/806150190.db2.gz UCRSAKHBNAVZOI-OAHLLOKOSA-N 1 1 297.443 3.359 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)C=C2CCC2)CC1 ZINC001159781502 806171881 /nfs/dbraw/zinc/17/18/81/806171881.db2.gz WTBWEDWYDNJSSV-UHFFFAOYSA-N 1 1 288.435 3.201 20 30 CGEDMO CCCCCCCCC[NH2+]C[C@H](O)CN(CC)CC ZINC001253206723 806182421 /nfs/dbraw/zinc/18/24/21/806182421.db2.gz RLWRYAPUPQQATR-INIZCTEOSA-N 1 1 272.477 3.029 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCc2ncccc2C1 ZINC001253238096 806188508 /nfs/dbraw/zinc/18/85/08/806188508.db2.gz AMZUWUUYEVDDIQ-QGZVFWFLSA-N 1 1 288.435 3.327 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CCCC[C@H]1COC ZINC001253233855 806189295 /nfs/dbraw/zinc/18/92/95/806189295.db2.gz PELOUDMGBVWHEN-IRXDYDNUSA-N 1 1 283.456 3.375 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCN2CCCC[C@@H]2C1 ZINC001253239569 806190188 /nfs/dbraw/zinc/19/01/88/806190188.db2.gz NXFDZYUIZXPIIW-MSOLQXFVSA-N 1 1 294.483 3.044 20 30 CGEDMO C=CCCCCCC[C@H](O)CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001253239569 806190194 /nfs/dbraw/zinc/19/01/94/806190194.db2.gz NXFDZYUIZXPIIW-MSOLQXFVSA-N 1 1 294.483 3.044 20 30 CGEDMO C=CCCCCCC[C@H](O)CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC001253239569 806190197 /nfs/dbraw/zinc/19/01/97/806190197.db2.gz NXFDZYUIZXPIIW-MSOLQXFVSA-N 1 1 294.483 3.044 20 30 CGEDMO C=CCCCC[N@H+](C)C[C@@H](O)CCOCc1ccccc1 ZINC001253280887 806202274 /nfs/dbraw/zinc/20/22/74/806202274.db2.gz LFKPZEYVRGABNC-SFHVURJKSA-N 1 1 291.435 3.242 20 30 CGEDMO C=CCCCCCC[C@H](O)C[NH2+]CCCN1CCCCC1 ZINC001253251848 806197090 /nfs/dbraw/zinc/19/70/90/806197090.db2.gz PALBWLWNHPIVAF-SFHVURJKSA-N 1 1 296.499 3.340 20 30 CGEDMO C#CC[N@@H+](Cc1ncc(-c2ccc(OC)cc2)o1)CC1CC1 ZINC001253563732 806259607 /nfs/dbraw/zinc/25/96/07/806259607.db2.gz UYPSTOCWWZTMPX-UHFFFAOYSA-N 1 1 296.370 3.195 20 30 CGEDMO C#CC[N@H+](Cc1ncc(-c2ccc(OC)cc2)o1)CC1CC1 ZINC001253563732 806259612 /nfs/dbraw/zinc/25/96/12/806259612.db2.gz UYPSTOCWWZTMPX-UHFFFAOYSA-N 1 1 296.370 3.195 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1ccc2ccc(F)cc2n1 ZINC001160957718 806329196 /nfs/dbraw/zinc/32/91/96/806329196.db2.gz QEOCPVXYYXYWMZ-HNNXBMFYSA-N 1 1 285.366 3.436 20 30 CGEDMO COc1cc(NCc2cncc(C#N)c2)[nH+]c2ccccc21 ZINC001160995022 806333762 /nfs/dbraw/zinc/33/37/62/806333762.db2.gz FXOMBKMIDXDDOT-UHFFFAOYSA-N 1 1 290.326 3.122 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[C@@H]2C)CC1 ZINC001161044559 806341600 /nfs/dbraw/zinc/34/16/00/806341600.db2.gz NCOYPEDOAYEKKE-RDJZCZTQSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C1CCC(C(=O)NCCC2=CC[N@@H+](C(C)C)CC2)CC1 ZINC001161111937 806350240 /nfs/dbraw/zinc/35/02/40/806350240.db2.gz BOJQTKKZHXTWRB-UHFFFAOYSA-N 1 1 290.451 3.280 20 30 CGEDMO N#CC1(c2ccc(F)cc2)CCC([N@H+]2C=C(N)C=CC2)CC1 ZINC001254349405 806383533 /nfs/dbraw/zinc/38/35/33/806383533.db2.gz OPADWOIDDUHUDW-UHFFFAOYSA-N 1 1 297.377 3.202 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H](C)[C@@H](C)CC)CC1 ZINC001161573612 806395798 /nfs/dbraw/zinc/39/57/98/806395798.db2.gz KYOSRISQZIDTPD-HOTGVXAUSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CC[C@@H]([NH2+][C@H]1CCCN(C)CC1)c1ccccc1 ZINC001254513634 806434570 /nfs/dbraw/zinc/43/45/70/806434570.db2.gz DTUBSGZPYKBPCQ-DLBZAZTESA-N 1 1 258.409 3.378 20 30 CGEDMO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001254560214 806451887 /nfs/dbraw/zinc/45/18/87/806451887.db2.gz PUVOXWHITSJESP-DARAHFNDSA-N 1 1 299.374 3.292 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)c2ccc(C)cc2C)CC1 ZINC001161808471 806459396 /nfs/dbraw/zinc/45/93/96/806459396.db2.gz FWRCITDILRPYMG-UHFFFAOYSA-N 1 1 298.430 3.241 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)c2ccc(C)c(C)c2)CC1 ZINC001161814195 806462028 /nfs/dbraw/zinc/46/20/28/806462028.db2.gz XKEHGDGZFXHXKZ-UHFFFAOYSA-N 1 1 298.430 3.241 20 30 CGEDMO CCCC[NH+](CCCC)CCN[C@@H]1CC[C@@H](C#N)C1 ZINC001254636372 806467307 /nfs/dbraw/zinc/46/73/07/806467307.db2.gz KBRWUDKQMNGMFL-HZPDHXFCSA-N 1 1 265.445 3.170 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](Oc3cc(F)ccc3F)C2)C1 ZINC001254669120 806479735 /nfs/dbraw/zinc/47/97/35/806479735.db2.gz ONZINZFRHUVTCV-BNOWGMLFSA-N 1 1 292.329 3.110 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCCC[C@H]2c2cccnc2)C1 ZINC001254669538 806480190 /nfs/dbraw/zinc/48/01/90/806480190.db2.gz SHEZYPUSPOOTDQ-KBMXLJTQSA-N 1 1 255.365 3.301 20 30 CGEDMO CC(C)c1noc([C@@H]2CCC[N@H+]([C@@H]3CC[C@@H](C#N)C3)C2)n1 ZINC001254670718 806481564 /nfs/dbraw/zinc/48/15/64/806481564.db2.gz LNUAAXBZZYDYQT-MGPQQGTHSA-N 1 1 288.395 3.065 20 30 CGEDMO CC[C@@H](C#N)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255132143 806550566 /nfs/dbraw/zinc/55/05/66/806550566.db2.gz RZHYTCWKZRFQMO-FJIDUMEYSA-N 1 1 283.419 3.074 20 30 CGEDMO N#C[C@H]1CCN([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255145845 806553525 /nfs/dbraw/zinc/55/35/25/806553525.db2.gz VYRQHUOTNJZXTK-AKHDSKFASA-N 1 1 295.430 3.027 20 30 CGEDMO CC[C@@H](CC#N)[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001255171735 806564281 /nfs/dbraw/zinc/56/42/81/806564281.db2.gz ACDJOQFPNNWCPU-INIZCTEOSA-N 1 1 271.408 3.411 20 30 CGEDMO CC[C@@H](CC#N)[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001255171735 806564290 /nfs/dbraw/zinc/56/42/90/806564290.db2.gz ACDJOQFPNNWCPU-INIZCTEOSA-N 1 1 271.408 3.411 20 30 CGEDMO C#CC1(Nc2cc[nH+]c(N3CCCCC3)n2)CCCCC1 ZINC001162479609 806595702 /nfs/dbraw/zinc/59/57/02/806595702.db2.gz JTFVWBTWECECLM-UHFFFAOYSA-N 1 1 284.407 3.215 20 30 CGEDMO C=CC[N@H+]([C@H]1CCC[C@@H](C(=O)OCC)C1)C(C)(C)C ZINC001255377915 806628090 /nfs/dbraw/zinc/62/80/90/806628090.db2.gz HZFJQDACOREUCH-KGLIPLIRSA-N 1 1 267.413 3.395 20 30 CGEDMO C[C@@H](CC(F)(F)F)[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001255647957 806693441 /nfs/dbraw/zinc/69/34/41/806693441.db2.gz YCDJUNOAUKUSGC-JTQLQIEISA-N 1 1 268.282 3.257 20 30 CGEDMO C[C@@H](CC(F)(F)F)[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001255647957 806693445 /nfs/dbraw/zinc/69/34/45/806693445.db2.gz YCDJUNOAUKUSGC-JTQLQIEISA-N 1 1 268.282 3.257 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+](CC)C[C@@H]2CCCO2)cc1 ZINC000092407527 798957536 /nfs/dbraw/zinc/95/75/36/798957536.db2.gz MCGPNFKCFQGWCC-SFHVURJKSA-N 1 1 287.403 3.090 20 30 CGEDMO C=CCCCCC[N@@H+]1CCNC[C@H]1c1ccccc1 ZINC000313372462 799231961 /nfs/dbraw/zinc/23/19/61/799231961.db2.gz VTLVYVMZZWUXFZ-KRWDZBQOSA-N 1 1 258.409 3.379 20 30 CGEDMO C=CCCCCC[N@H+]1CCNC[C@H]1c1ccccc1 ZINC000313372462 799231967 /nfs/dbraw/zinc/23/19/67/799231967.db2.gz VTLVYVMZZWUXFZ-KRWDZBQOSA-N 1 1 258.409 3.379 20 30 CGEDMO Cc1cc(F)c(C#N)c(NC[C@@H]2CCCC[N@H+]2C2CC2)c1 ZINC001163241340 806733097 /nfs/dbraw/zinc/73/30/97/806733097.db2.gz DJOLTGQIYODMIS-AWEZNQCLSA-N 1 1 287.382 3.435 20 30 CGEDMO C[C@H](c1ccccc1Cl)[N@H+](C)CCO[C@@H](C)C#N ZINC000381008978 799371308 /nfs/dbraw/zinc/37/13/08/799371308.db2.gz QGSKGGRTINFKEN-NWDGAFQWSA-N 1 1 266.772 3.261 20 30 CGEDMO C=C(C)CNc1ccc(C[N@@H+]2CCCC[C@H]2C)cn1 ZINC001163376167 806753600 /nfs/dbraw/zinc/75/36/00/806753600.db2.gz VFUXYAYJSWTAEK-CQSZACIVSA-N 1 1 259.397 3.444 20 30 CGEDMO COc1ccc([C@@H](C)[NH2+]CC2(C#N)CCCC2)cc1OC ZINC000405191707 799582243 /nfs/dbraw/zinc/58/22/43/799582243.db2.gz SDOCDULEFFTCEL-CYBMUJFWSA-N 1 1 288.391 3.438 20 30 CGEDMO Clc1ccccc1C#CC[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000441160952 799615156 /nfs/dbraw/zinc/61/51/56/799615156.db2.gz ACFCVQQTCSLONE-UHFFFAOYSA-N 1 1 299.805 3.294 20 30 CGEDMO C[C@@H](Cc1ccccc1F)[N@H+]1CCC[C@H](C#N)CC1 ZINC001255851328 806767038 /nfs/dbraw/zinc/76/70/38/806767038.db2.gz MFRRCPBQNZSKIE-KBPBESRZSA-N 1 1 260.356 3.382 20 30 CGEDMO C=CC[C@H]([NH2+]C[C@@H]1C(C)=CCC[C@@H]1C)C(=O)OCC ZINC001255854492 806770376 /nfs/dbraw/zinc/77/03/76/806770376.db2.gz SKOOVAPFDKURKK-ZNMIVQPWSA-N 1 1 265.397 3.076 20 30 CGEDMO C=CCCSCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708494706 799990011 /nfs/dbraw/zinc/99/00/11/799990011.db2.gz OPKPXLFKJLTSOO-UHFFFAOYSA-N 1 1 273.348 3.069 20 30 CGEDMO C#CC1(N[C@@H](C)CC[NH+](CC)CC)CCCCC1 ZINC001255951102 806795680 /nfs/dbraw/zinc/79/56/80/806795680.db2.gz FYFZQFTWQUORFY-HNNXBMFYSA-N 1 1 250.430 3.033 20 30 CGEDMO C=CCC1(O)CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000717446078 800201797 /nfs/dbraw/zinc/20/17/97/800201797.db2.gz BWSMCMUWRJHMAL-UHFFFAOYSA-N 1 1 283.774 3.382 20 30 CGEDMO C=CCCSCC[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000724434934 800362932 /nfs/dbraw/zinc/36/29/32/800362932.db2.gz WJUAYIRSZQZOLC-UHFFFAOYSA-N 1 1 268.426 3.371 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)CCOc2ccc(OC)cc2)cc1 ZINC000809540065 800442555 /nfs/dbraw/zinc/44/25/55/800442555.db2.gz JJMMCLYGFFCLCP-UHFFFAOYSA-N 1 1 295.382 3.187 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)c2sccc2C)C1 ZINC001023202099 800706622 /nfs/dbraw/zinc/70/66/22/800706622.db2.gz KGZXXTSHHXKSED-CQSZACIVSA-N 1 1 292.448 3.074 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)c2cccc(C)c2)C1 ZINC001023215599 800707989 /nfs/dbraw/zinc/70/79/89/800707989.db2.gz KQRSTKZANCXRQK-MRXNPFEDSA-N 1 1 286.419 3.013 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](CNC(=O)C2CCC(C)(C)CC2)C1 ZINC001023767573 800715320 /nfs/dbraw/zinc/71/53/20/800715320.db2.gz HZSGLWFWHBEHPE-HNNXBMFYSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C12CCC(CC1)C2 ZINC001024514145 800730731 /nfs/dbraw/zinc/73/07/31/800730731.db2.gz WCXIEJXZAIVNJC-UPTPFMHGSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)C1CCC(=C)CC1 ZINC001024631130 800731562 /nfs/dbraw/zinc/73/15/62/800731562.db2.gz FXNKBXGBBCZICZ-QGZVFWFLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001024771775 800735694 /nfs/dbraw/zinc/73/56/94/800735694.db2.gz LZVKEJKLEXUDLC-BRWVUGGUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(F)s1 ZINC001024824737 800738677 /nfs/dbraw/zinc/73/86/77/800738677.db2.gz VHKDPIPQNKNCOY-LBPRGKRZSA-N 1 1 296.411 3.048 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1CCCC1 ZINC001025193103 800747210 /nfs/dbraw/zinc/74/72/10/800747210.db2.gz RVOWRZABDXVXSD-IRXDYDNUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cscc2C)C1 ZINC001025380854 800759067 /nfs/dbraw/zinc/75/90/67/800759067.db2.gz KUOZYRKMRGLXSP-KGLIPLIRSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CC=CC2)C1 ZINC001025371648 800759638 /nfs/dbraw/zinc/75/96/38/800759638.db2.gz GTNRUAOUCKHNBD-WBVHZDCISA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CCC=CCC2)C1 ZINC001025623324 800764383 /nfs/dbraw/zinc/76/43/83/800764383.db2.gz AYMFDNHLRRBTAM-DOTOQJQBSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)C(C)=C2CCC2)C1 ZINC001027403481 800795033 /nfs/dbraw/zinc/79/50/33/800795033.db2.gz KFOTWZBTFZWWBT-HNNXBMFYSA-N 1 1 296.842 3.162 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)C(C)=C2CCC2)C1 ZINC001027403481 800795037 /nfs/dbraw/zinc/79/50/37/800795037.db2.gz KFOTWZBTFZWWBT-HNNXBMFYSA-N 1 1 296.842 3.162 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC=CCCC2)C1 ZINC001027460552 800796031 /nfs/dbraw/zinc/79/60/31/800796031.db2.gz KLMIQOQHOATWRB-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)C2(C)CC(=C)C2)C1 ZINC001027566432 800803939 /nfs/dbraw/zinc/80/39/39/800803939.db2.gz ISRZPQXMFQLKEP-CQSZACIVSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)C2(C)CC(=C)C2)C1 ZINC001027566432 800803949 /nfs/dbraw/zinc/80/39/49/800803949.db2.gz ISRZPQXMFQLKEP-CQSZACIVSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccsc2Cl)C1 ZINC001027602500 800805491 /nfs/dbraw/zinc/80/54/91/800805491.db2.gz WGJUAHAXBCHUKB-LLVKDONJSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2cc(C)c(C)s2)C1 ZINC001027674106 800811277 /nfs/dbraw/zinc/81/12/77/800811277.db2.gz RBVFQHQGVPFYNN-AWEZNQCLSA-N 1 1 292.448 3.087 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@H](C)C2CC2)C1 ZINC001027694782 800813175 /nfs/dbraw/zinc/81/31/75/800813175.db2.gz BXXSUZSNUGWVSL-SWLSCSKDSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)C[C@H](C)C2CC2)C1 ZINC001027694782 800813182 /nfs/dbraw/zinc/81/31/82/800813182.db2.gz BXXSUZSNUGWVSL-SWLSCSKDSA-N 1 1 298.858 3.098 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001027698269 800813385 /nfs/dbraw/zinc/81/33/85/800813385.db2.gz HBABHLXJRWRXTA-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)C2CCC(C)(C)CC2)C1 ZINC001027696564 800814179 /nfs/dbraw/zinc/81/41/79/800814179.db2.gz LGWKLPSFDSVZIC-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1sc(C)cc1C ZINC001027909276 800825570 /nfs/dbraw/zinc/82/55/70/800825570.db2.gz NHAIUKNIJUCBKQ-CQSZACIVSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H]1CNC(=O)C1CCC2(CC2)CC1 ZINC001028032565 800830541 /nfs/dbraw/zinc/83/05/41/800830541.db2.gz YPDRQAGBNWOHIR-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C1CCC(C(=O)NC[C@H]2CCC[N@H+]2CCC2CC2)CC1 ZINC001028118392 800831779 /nfs/dbraw/zinc/83/17/79/800831779.db2.gz ZAQIIEPLGUCBOB-QGZVFWFLSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(C(C)C)c1 ZINC001028244466 800837055 /nfs/dbraw/zinc/83/70/55/800837055.db2.gz DKGNKVUMFABBLM-KRWDZBQOSA-N 1 1 286.419 3.190 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C)cc1 ZINC001028280820 800838035 /nfs/dbraw/zinc/83/80/35/800838035.db2.gz WTWAXSSLSGCVDV-KRWDZBQOSA-N 1 1 286.419 3.155 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)cc1C ZINC001028296755 800840214 /nfs/dbraw/zinc/84/02/14/800840214.db2.gz ASTKYIGESPVYPI-MRXNPFEDSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCCC1(C)C ZINC001028336654 800841436 /nfs/dbraw/zinc/84/14/36/800841436.db2.gz AQMNHBYGIGYTIJ-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)C12CCC(CC1)CC2 ZINC001028330359 800841955 /nfs/dbraw/zinc/84/19/55/800841955.db2.gz GGLJPEMZSHHCSB-PQUAAJSLSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(F)s1 ZINC001028347336 800843989 /nfs/dbraw/zinc/84/39/89/800843989.db2.gz SNFAFUYQSTZHLU-LBPRGKRZSA-N 1 1 296.411 3.048 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001028546881 800850633 /nfs/dbraw/zinc/85/06/33/800850633.db2.gz HYBYOSOCNUZUSJ-HRCADAONSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001029420276 800868007 /nfs/dbraw/zinc/86/80/07/800868007.db2.gz VNJSLBLBPIVXTJ-IYBDPMFKSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)c2cc(C)ccc2C2CC2)C1 ZINC001030735140 800895925 /nfs/dbraw/zinc/89/59/25/800895925.db2.gz QSRJWVRUFKZMNU-UHFFFAOYSA-N 1 1 298.430 3.253 20 30 CGEDMO C=C1CC(C)(C(=O)NC2C[NH+]([C@@H](C)c3cccc(C)c3)C2)C1 ZINC001030924071 800901644 /nfs/dbraw/zinc/90/16/44/800901644.db2.gz ILXCNFWSQAYPFP-HNNXBMFYSA-N 1 1 298.430 3.213 20 30 CGEDMO C=CCC[NH+]1CC(NC(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC001031446240 800910893 /nfs/dbraw/zinc/91/08/93/800910893.db2.gz QXFKMIHUJBRTBT-CQSZACIVSA-N 1 1 286.419 3.190 20 30 CGEDMO C=CCC[NH+]1CC(NC(=O)c2ccc([C@@H](C)CC)cc2)C1 ZINC001031446239 800911355 /nfs/dbraw/zinc/91/13/55/800911355.db2.gz QXFKMIHUJBRTBT-AWEZNQCLSA-N 1 1 286.419 3.190 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CCCCCC1 ZINC001032650939 800931236 /nfs/dbraw/zinc/93/12/36/800931236.db2.gz AQUUNSZYQCTMPS-IRXDYDNUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Cl)o2)C1 ZINC001032912447 800944098 /nfs/dbraw/zinc/94/40/98/800944098.db2.gz DNJURRQEWJMDDO-GFCCVEGCSA-N 1 1 296.798 3.046 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3occc3c2)C1 ZINC001033103806 800952655 /nfs/dbraw/zinc/95/26/55/800952655.db2.gz OBZNHZNVLFYHEY-MRXNPFEDSA-N 1 1 298.386 3.155 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001033076781 800952830 /nfs/dbraw/zinc/95/28/30/800952830.db2.gz OVVUWWFSMLXRDI-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)C2CCC3(CC3)CC2)C1 ZINC001033269625 800957280 /nfs/dbraw/zinc/95/72/80/800957280.db2.gz KJZCTSUCFQMNRT-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C2CCC(=C)CC2)C1 ZINC001033389671 800962683 /nfs/dbraw/zinc/96/26/83/800962683.db2.gz SIMJFCFCYANSSK-KRWDZBQOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(Cl)cc2)C1 ZINC001033603284 800969638 /nfs/dbraw/zinc/96/96/38/800969638.db2.gz KLMRWHSVMMZJQH-HNNXBMFYSA-N 1 1 292.810 3.062 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)C2C(C)(C)C2(C)C)C1 ZINC001033789667 800982599 /nfs/dbraw/zinc/98/25/99/800982599.db2.gz PUXIGCIHGBCZNG-AWEZNQCLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(Cl)o2)C1 ZINC001033749886 800982964 /nfs/dbraw/zinc/98/29/64/800982964.db2.gz MOTJLAOEYFYOHN-LBPRGKRZSA-N 1 1 296.798 3.046 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC=CCCC2)C1 ZINC001033871697 800986785 /nfs/dbraw/zinc/98/67/85/800986785.db2.gz GRNUWLBAHFVOCD-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)C2CC3(CCC3)C2)C1 ZINC001033921816 800987482 /nfs/dbraw/zinc/98/74/82/800987482.db2.gz GRHPXKIKCBYGQT-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCC23CC3)C1 ZINC001033872459 800987523 /nfs/dbraw/zinc/98/75/23/800987523.db2.gz KKQBZKJPABHDGM-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001033952118 800990605 /nfs/dbraw/zinc/99/06/05/800990605.db2.gz MWAMNCQBXOQPEV-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)CC2CCCC2)C1 ZINC001034090695 801003921 /nfs/dbraw/zinc/00/39/21/801003921.db2.gz LPJIJDWMVMHGNM-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@H+]1CCCC[C@H](NC(=O)CC2=CCCCC2)C1 ZINC001034132669 801005744 /nfs/dbraw/zinc/00/57/44/801005744.db2.gz JMXILASIZDDPAV-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001034101746 801005785 /nfs/dbraw/zinc/00/57/85/801005785.db2.gz NZGYGPUSKGNEJY-GFCCVEGCSA-N 1 1 296.798 3.093 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2sccc2F)C1 ZINC001034198008 801011714 /nfs/dbraw/zinc/01/17/14/801011714.db2.gz LWPAVFBGQQBCMT-LBPRGKRZSA-N 1 1 296.411 3.048 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001034265725 801014198 /nfs/dbraw/zinc/01/41/98/801014198.db2.gz LRFCCFHRQAOECL-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@]2(C)C=CCC2)C1 ZINC001034349062 801017674 /nfs/dbraw/zinc/01/76/74/801017674.db2.gz ICSQLXAWSAIZLY-FUHWJXTLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001034356411 801021242 /nfs/dbraw/zinc/02/12/42/801021242.db2.gz XGXATGPDXHAIMZ-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001034389232 801023477 /nfs/dbraw/zinc/02/34/77/801023477.db2.gz KWNGRDAENYDRLM-QLFBSQMISA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001034389232 801023485 /nfs/dbraw/zinc/02/34/85/801023485.db2.gz KWNGRDAENYDRLM-QLFBSQMISA-N 1 1 298.858 3.146 20 30 CGEDMO C=CC[N@H+]1CCCC[C@@H](NC(=O)C23CCC(CC2)CC3)C1 ZINC001034531376 801031772 /nfs/dbraw/zinc/03/17/72/801031772.db2.gz GYVOCHRIPCGRHO-UPTPFMHGSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC2(CC[N@H+](CCC)C2)CC1 ZINC001035213193 801056294 /nfs/dbraw/zinc/05/62/94/801056294.db2.gz GGYNLGCKTPFYLR-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1CCC2(C1)CCN(C(=O)C(C)(CC)CC)CC2 ZINC001035255178 801057198 /nfs/dbraw/zinc/05/71/98/801057198.db2.gz OCNQPJGSLZLITH-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)CCC3CC3)CC[C@H]21 ZINC001036669507 801086138 /nfs/dbraw/zinc/08/61/38/801086138.db2.gz FSFSMUVFCOBZDC-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C(CC)CC)CC[C@@H]21 ZINC001036651961 801087306 /nfs/dbraw/zinc/08/73/06/801087306.db2.gz LSLQVNZWHADLQU-IRXDYDNUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2CN(C(=O)C(CC)(CC)CC)CC[C@H]21 ZINC001036856510 801092998 /nfs/dbraw/zinc/09/29/98/801092998.db2.gz SIULJUKWCVNLHQ-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1CCC ZINC001038499877 801126322 /nfs/dbraw/zinc/12/63/22/801126322.db2.gz BIEQOBIAYSUYTP-MRXNPFEDSA-N 1 1 286.419 3.019 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C2CCCC2)cc1 ZINC001038525371 801126481 /nfs/dbraw/zinc/12/64/81/801126481.db2.gz OGLNUPLBPAYIOS-SFHVURJKSA-N 1 1 298.430 3.334 20 30 CGEDMO C=CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C2CCCC2)cc1 ZINC001038525371 801126486 /nfs/dbraw/zinc/12/64/86/801126486.db2.gz OGLNUPLBPAYIOS-SFHVURJKSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C1CCC(C(=O)NC[C@H]2CC[N@@H+]2CC(CC)CC)CC1 ZINC001038666671 801130728 /nfs/dbraw/zinc/13/07/28/801130728.db2.gz IMCGTVDZPPFJOX-QGZVFWFLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1c(C)cccc1Cl ZINC001038675121 801131058 /nfs/dbraw/zinc/13/10/58/801131058.db2.gz WVCGETVJJDJGJG-ZDUSSCGKSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1c(C)cccc1Cl ZINC001038675121 801131061 /nfs/dbraw/zinc/13/10/61/801131061.db2.gz WVCGETVJJDJGJG-ZDUSSCGKSA-N 1 1 292.810 3.029 20 30 CGEDMO C=Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2CCC(=C)C)cc1 ZINC001038729706 801131673 /nfs/dbraw/zinc/13/16/73/801131673.db2.gz OZRRRSXSRZGOQD-QGZVFWFLSA-N 1 1 284.403 3.100 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCCC1(C)C ZINC001039062132 801145634 /nfs/dbraw/zinc/14/56/34/801145634.db2.gz UWTIZTJQFCGZHE-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C2CCCC2)C1 ZINC001039178781 801150770 /nfs/dbraw/zinc/15/07/70/801150770.db2.gz WEJQHNYGRJPDSR-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C(F)=C(C)C)C1 ZINC001039198675 801152745 /nfs/dbraw/zinc/15/27/45/801152745.db2.gz ZCWULNGXRNOFGF-CABCVRRESA-N 1 1 294.414 3.139 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)=C1CCC1 ZINC001039374007 801160595 /nfs/dbraw/zinc/16/05/95/801160595.db2.gz YUSYYHIKMZPLDT-SJORKVTESA-N 1 1 288.435 3.128 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C1CCC1 ZINC001039410611 801161496 /nfs/dbraw/zinc/16/14/96/801161496.db2.gz RDYIJXRCCVUWKA-CVEARBPZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)cc1 ZINC001039463512 801163606 /nfs/dbraw/zinc/16/36/06/801163606.db2.gz SYGNAXADWUSAEC-MSOLQXFVSA-N 1 1 298.430 3.250 20 30 CGEDMO C[C@H](Cc1ccccn1)[N@@H+](CCC#N)C1CCCC1 ZINC001256413791 806889265 /nfs/dbraw/zinc/88/92/65/806889265.db2.gz BWNMYRNSQZKIEE-CQSZACIVSA-N 1 1 257.381 3.171 20 30 CGEDMO C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001039820135 801167104 /nfs/dbraw/zinc/16/71/04/801167104.db2.gz BCGOHLQDHRKZHW-IYBDPMFKSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)CC(C)(C)C)C2)C1 ZINC001041071380 801184214 /nfs/dbraw/zinc/18/42/14/801184214.db2.gz BIFFSRKBOGKSFN-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(CCN(C(=O)CC3CCCCC3)C2)C1 ZINC001041045426 801184626 /nfs/dbraw/zinc/18/46/26/801184626.db2.gz KQBYOZAQPPRNET-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)C(CC)CC)C2)C1 ZINC001041078664 801186961 /nfs/dbraw/zinc/18/69/61/801186961.db2.gz XVUQQWYHXCTKTQ-MRXNPFEDSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)C(CC)CC)C2)C1 ZINC001041078664 801186963 /nfs/dbraw/zinc/18/69/63/801186963.db2.gz XVUQQWYHXCTKTQ-MRXNPFEDSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CC[C@@]2(CC[N@H+](C(C)C)C2)C1 ZINC001041323298 801189393 /nfs/dbraw/zinc/18/93/93/801189393.db2.gz LEJTXGJKCMBWBD-MRXNPFEDSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)c3ccccc3C)C[C@@H]21 ZINC001041916953 801196618 /nfs/dbraw/zinc/19/66/18/801196618.db2.gz PYVYKLPGZNRDSB-WMZOPIPTSA-N 1 1 298.430 3.108 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)CC3CCC3)C[C@H]21 ZINC001041996313 801198940 /nfs/dbraw/zinc/19/89/40/801198940.db2.gz IIIRIHVOFKHSKX-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)CC3(C)CCCC3)C[C@H]21 ZINC001042044629 801200321 /nfs/dbraw/zinc/20/03/21/801200321.db2.gz RFPXEQGCIPLONE-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)C(C)(C)C)C[C@H]21 ZINC001042181259 801201462 /nfs/dbraw/zinc/20/14/62/801201462.db2.gz FNAYGNDMEGLEOK-HUUCEWRRSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)C(=C)C)C[C@@H]21 ZINC001042182713 801202687 /nfs/dbraw/zinc/20/26/87/801202687.db2.gz GQXWLMHBABIRLH-CVEARBPZSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(C)cc(C)c3)C[C@@H]21 ZINC001042336748 801205144 /nfs/dbraw/zinc/20/51/44/801205144.db2.gz ZJLXYIJRVSVKHX-WMZOPIPTSA-N 1 1 298.430 3.026 20 30 CGEDMO C=CCC[NH+]1CC(N(C)C(=O)c2ccc(CCC)s2)C1 ZINC001042804233 801214414 /nfs/dbraw/zinc/21/44/14/801214414.db2.gz IOCKAVUNEMVQLS-UHFFFAOYSA-N 1 1 292.448 3.033 20 30 CGEDMO C=CCOC(=O)[C@@H]([NH2+]C1CCC(OCC)CC1)[C@@H](C)CC ZINC001256431341 806895865 /nfs/dbraw/zinc/89/58/65/806895865.db2.gz ZZDFLGABAHYBGJ-LBDPXKHJSA-N 1 1 297.439 3.068 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCF ZINC001045824825 801287954 /nfs/dbraw/zinc/28/79/54/801287954.db2.gz DWZXIYLFEDEPES-CABCVRRESA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)C)C2 ZINC001045918967 801293485 /nfs/dbraw/zinc/29/34/85/801293485.db2.gz OSJUYNISQMZWHQ-MRXNPFEDSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](F)CC)C2 ZINC001045956682 801295949 /nfs/dbraw/zinc/29/59/49/801295949.db2.gz LTSWMZBITWRHHX-WBVHZDCISA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccccc2CC)C1 ZINC001046577792 801314117 /nfs/dbraw/zinc/31/41/17/801314117.db2.gz CAFYPEJJGXUSAP-GOSISDBHSA-N 1 1 286.419 3.019 20 30 CGEDMO C=C1CCC(C(=O)N[C@]2(C)CC[N@H+](CCC(C)C)C2)CC1 ZINC001046598095 801315617 /nfs/dbraw/zinc/31/56/17/801315617.db2.gz MENOOTPPJQPJCU-GOSISDBHSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(CCC)cc2)C1 ZINC001046583468 801315978 /nfs/dbraw/zinc/31/59/78/801315978.db2.gz QRZFJKLROHLUEK-GOSISDBHSA-N 1 1 286.419 3.019 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(C3CC3)s2)C1 ZINC001046768823 801322479 /nfs/dbraw/zinc/32/24/79/801322479.db2.gz HVHLVXBKXNXXNA-MRXNPFEDSA-N 1 1 290.432 3.006 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)c2ccc(CC)cc2)C1 ZINC001046810876 801324892 /nfs/dbraw/zinc/32/48/92/801324892.db2.gz IEJPJCSQICILQM-SFHVURJKSA-N 1 1 286.419 3.019 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(Cl)cc2)C1 ZINC001046789758 801325005 /nfs/dbraw/zinc/32/50/05/801325005.db2.gz USZXDQSFETVAEC-MRXNPFEDSA-N 1 1 292.810 3.110 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(Cl)s2)C1 ZINC001046820683 801328377 /nfs/dbraw/zinc/32/83/77/801328377.db2.gz MEEAMXLADKYCMI-AWEZNQCLSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1ccc(C)cc1)C2 ZINC001048585228 801350278 /nfs/dbraw/zinc/35/02/78/801350278.db2.gz MLYMOCXIAJKTAO-VBUUOAMHSA-N 1 1 298.430 3.154 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCC1CCC1 ZINC001049403189 801368255 /nfs/dbraw/zinc/36/82/55/801368255.db2.gz XXOFREGZJNPTEM-SJORKVTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1=CCCC1 ZINC001049414213 801370641 /nfs/dbraw/zinc/37/06/41/801370641.db2.gz BVDREQFTUNFLBC-DLBZAZTESA-N 1 1 288.435 3.128 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC(C)C1 ZINC001049405623 801370750 /nfs/dbraw/zinc/37/07/50/801370750.db2.gz JYJKDQUZLVGGPA-BACDZXNISA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC(C)(C)C1 ZINC001049455242 801374081 /nfs/dbraw/zinc/37/40/81/801374081.db2.gz YLFYWDMXDBYJKQ-HZPDHXFCSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)C1CCC1 ZINC001049546829 801375818 /nfs/dbraw/zinc/37/58/18/801375818.db2.gz UFYCIJVNRVVYKM-BHYGNILZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)C(C)C ZINC001049504317 801375906 /nfs/dbraw/zinc/37/59/06/801375906.db2.gz JTYOMYSBFXSECL-HOTGVXAUSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1(C)CCC1 ZINC001049644879 801380082 /nfs/dbraw/zinc/38/00/82/801380082.db2.gz KRRSHCODSQXUNR-CVEARBPZSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](F)C(C)C ZINC001049656913 801381430 /nfs/dbraw/zinc/38/14/30/801381430.db2.gz KFNWIFXJBBXGMV-XHSDSOJGSA-N 1 1 296.430 3.012 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)CC ZINC001049693204 801384091 /nfs/dbraw/zinc/38/40/91/801384091.db2.gz XFEDJVLGYNNXMY-CVEARBPZSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC ZINC001049696826 801384282 /nfs/dbraw/zinc/38/42/82/801384282.db2.gz AIILPMMKJINRCL-ZMSDIMECSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)C1CCCC1 ZINC001049834753 801388448 /nfs/dbraw/zinc/38/84/48/801388448.db2.gz DELJPWXPYPUAPL-DJIMGWMZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(CC)CC ZINC001049904974 801394262 /nfs/dbraw/zinc/39/42/62/801394262.db2.gz UVGZVTGJCADJJE-CABCVRRESA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)c2ccccc2)CC1 ZINC001052168761 801422463 /nfs/dbraw/zinc/42/24/63/801422463.db2.gz HKEOQZRXYVHXQZ-HNNXBMFYSA-N 1 1 292.810 3.023 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)CC2CCCC2)CC1 ZINC001052165012 801423118 /nfs/dbraw/zinc/42/31/18/801423118.db2.gz FQBCYMMZMXUKBG-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2oc(C)cc2C)CC1 ZINC001052284266 801427753 /nfs/dbraw/zinc/42/77/53/801427753.db2.gz ACZBPMPQYYCPOW-OAHLLOKOSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)C23CCC(CC2)C3)CC1 ZINC001052499137 801436808 /nfs/dbraw/zinc/43/68/08/801436808.db2.gz OLZWITVVDKXCAD-UPTPFMHGSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)C2CCC2)CC1 ZINC001052486013 801437250 /nfs/dbraw/zinc/43/72/50/801437250.db2.gz GSFCJJUFVYZBNW-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC2(C)C)CC1 ZINC001052636092 801442606 /nfs/dbraw/zinc/44/26/06/801442606.db2.gz NNFIRVAHZYHBGX-ZIAGYGMSSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](CC[C@H](C)F)CC2)C1 ZINC001052692395 801447064 /nfs/dbraw/zinc/44/70/64/801447064.db2.gz BGZUXBBFLDAYSE-GJZGRUSLSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C=C)cc2)CC1 ZINC001052737368 801448968 /nfs/dbraw/zinc/44/89/68/801448968.db2.gz MQRBMMOUVRYZRS-KRWDZBQOSA-N 1 1 284.403 3.100 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)CC1 ZINC001052914683 801458386 /nfs/dbraw/zinc/45/83/86/801458386.db2.gz UDXGUSKAPCDBKN-HNNXBMFYSA-N 1 1 298.386 3.203 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCC)C2)C1 ZINC001052998886 801459725 /nfs/dbraw/zinc/45/97/25/801459725.db2.gz FHJQRWXCCXNXAA-SJORKVTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C2CC2)C1 ZINC001053057161 801464564 /nfs/dbraw/zinc/46/45/64/801464564.db2.gz HVFGHXVTYYPYRC-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@@]3(CC[N@H+](C(C)C)C3)C2)C1 ZINC001054192836 801479929 /nfs/dbraw/zinc/47/99/29/801479929.db2.gz KGYUKAIXYAEDBB-SFHVURJKSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CC3(C)C)cc2C1 ZINC001054260608 801481993 /nfs/dbraw/zinc/48/19/93/801481993.db2.gz AEWJTXLVEKNGRN-QGZVFWFLSA-N 1 1 298.430 3.241 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2cc(C)oc2C)CC[C@H]1C ZINC001071333779 801530798 /nfs/dbraw/zinc/53/07/98/801530798.db2.gz BDAVOJFKPODJPH-IUODEOHRSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C2CCCCCC2)CC[C@@H]1C ZINC001071384110 801531442 /nfs/dbraw/zinc/53/14/42/801531442.db2.gz SBOXYJMHZRJNLG-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)CC2=CCCCC2)CC[C@H]1C ZINC001071390519 801531687 /nfs/dbraw/zinc/53/16/87/801531687.db2.gz BJSDSUHWLSPMQO-NVXWUHKLSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C2CCCCCC2)CC[C@H]1C ZINC001071384111 801532951 /nfs/dbraw/zinc/53/29/51/801532951.db2.gz SBOXYJMHZRJNLG-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2oc(C)cc2C)CC[C@H]1C ZINC001071409526 801533678 /nfs/dbraw/zinc/53/36/78/801533678.db2.gz YJDAKOVMBXRNHK-UKRRQHHQSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2ccoc2CC)CC[C@H]1C ZINC001071473716 801537835 /nfs/dbraw/zinc/53/78/35/801537835.db2.gz LLKXESKEQNXCEU-KGLIPLIRSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2ccsc2C)CC[C@H]1C ZINC001071494622 801540681 /nfs/dbraw/zinc/54/06/81/801540681.db2.gz VXCGEGXXNCIUQR-TZMCWYRMSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)C2(C3CC3)CCC2)CC[C@H]1C ZINC001071709015 801547690 /nfs/dbraw/zinc/54/76/90/801547690.db2.gz PMZGXWJIIIYIFF-GDBMZVCRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C2CC3(CCC3)C2)CC[C@H]1C ZINC001071743267 801549680 /nfs/dbraw/zinc/54/96/80/801549680.db2.gz YMJSTTIPVVSXTQ-GDBMZVCRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2occc2CC)CC[C@@H]1C ZINC001071800106 801551102 /nfs/dbraw/zinc/55/11/02/801551102.db2.gz RDYJMZGRUPASBD-ZFWWWQNUSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2ccc(C=C)cc2)CC[C@H]1C ZINC001071828667 801554545 /nfs/dbraw/zinc/55/45/45/801554545.db2.gz SEXUXEITWXXGGS-CRAIPNDOSA-N 1 1 298.430 3.488 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2ccc(C=C)cc2)CC[C@H]1C ZINC001071834664 801554914 /nfs/dbraw/zinc/55/49/14/801554914.db2.gz AYETXRHUROUPNZ-RHSMWYFYSA-N 1 1 284.403 3.098 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2ccoc2CCC)CC[C@@H]1C ZINC001071993119 801559491 /nfs/dbraw/zinc/55/94/91/801559491.db2.gz PDYOLLCRIFSUHL-KBPBESRZSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2ccc(C)cc2C)CC[C@@H]1C ZINC001072041426 801560458 /nfs/dbraw/zinc/56/04/58/801560458.db2.gz YCPCXSISSQFYRN-JKSUJKDBSA-N 1 1 286.419 3.072 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)CC[C@H]1C ZINC001072115786 801564782 /nfs/dbraw/zinc/56/47/82/801564782.db2.gz CGLOMRCNYYXPFD-ZIAGYGMSSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)c2ccoc2C(C)C)CC[C@H]1C ZINC001072103286 801565249 /nfs/dbraw/zinc/56/52/49/801565249.db2.gz WHHRSDFIKUBFPR-ZIAGYGMSSA-N 1 1 290.407 3.172 20 30 CGEDMO C=C(C)C[N@H+]1CCC2(CN(C(=O)C3(C)CCCCC3)C2)C1 ZINC001072939894 801575287 /nfs/dbraw/zinc/57/52/87/801575287.db2.gz CPZPMMGRONFRLJ-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C)C(C)(C)C)C2)C1 ZINC001072854308 801575695 /nfs/dbraw/zinc/57/56/95/801575695.db2.gz JGLHDFQEEMNNNP-OAHLLOKOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2CCN(C(=O)C3CCCCCCC3)[C@@H]2C1 ZINC001076024881 801613720 /nfs/dbraw/zinc/61/37/20/801613720.db2.gz BVQMUUODFJNGTD-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C)c(C)c3)[C@@H]2C1 ZINC001076526383 801619535 /nfs/dbraw/zinc/61/95/35/801619535.db2.gz FNKGIOPYCJFSGW-ZWKOTPCHSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CC3(C)CCCC3)[C@@H]2C1 ZINC001084323087 801668871 /nfs/dbraw/zinc/66/88/71/801668871.db2.gz CKBRBQQPGDOSOH-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C(C)C)cc3)[C@@H]2C1 ZINC001084793279 801671123 /nfs/dbraw/zinc/67/11/23/801671123.db2.gz RXLJKHKRZJRUOB-QZTJIDSGSA-N 1 1 298.430 3.142 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)cs1 ZINC001085584666 801696247 /nfs/dbraw/zinc/69/62/47/801696247.db2.gz KRYHKLHUQBNQDJ-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CC=C(C)C)CC1 ZINC001085800787 801705215 /nfs/dbraw/zinc/70/52/15/801705215.db2.gz BQTRDUSDMLMEFY-QGZVFWFLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2ccccc2c1 ZINC001085939866 801711922 /nfs/dbraw/zinc/71/19/22/801711922.db2.gz SOUPTVWNJCOXHW-GOSISDBHSA-N 1 1 294.398 3.172 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2ccccc2c1 ZINC001085939866 801711926 /nfs/dbraw/zinc/71/19/26/801711926.db2.gz SOUPTVWNJCOXHW-GOSISDBHSA-N 1 1 294.398 3.172 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(Cl)s1 ZINC001085959277 801715261 /nfs/dbraw/zinc/71/52/61/801715261.db2.gz XYMGZMUTMNCINK-NSHDSACASA-N 1 1 298.839 3.124 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(Cl)s1 ZINC001085959277 801715266 /nfs/dbraw/zinc/71/52/66/801715266.db2.gz XYMGZMUTMNCINK-NSHDSACASA-N 1 1 298.839 3.124 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc2cccc(C)c2o1 ZINC001085988610 801716187 /nfs/dbraw/zinc/71/61/87/801716187.db2.gz RBCMUIXVPMSFME-OAHLLOKOSA-N 1 1 298.386 3.074 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2cccc(C)c2o1 ZINC001085988610 801716190 /nfs/dbraw/zinc/71/61/90/801716190.db2.gz RBCMUIXVPMSFME-OAHLLOKOSA-N 1 1 298.386 3.074 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(C2CC2)c1 ZINC001085991461 801716945 /nfs/dbraw/zinc/71/69/45/801716945.db2.gz OAOVXINJSNAIMB-SFHVURJKSA-N 1 1 298.430 3.286 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CCC(C)(C)CC1 ZINC001085993395 801719436 /nfs/dbraw/zinc/71/94/36/801719436.db2.gz JZHBYPNCZALGAA-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC=CCC2)[C@H]1CC ZINC001087500607 801752108 /nfs/dbraw/zinc/75/21/08/801752108.db2.gz RSVCNHBYCHBVLZ-QLFBSQMISA-N 1 1 296.842 3.064 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC=CCC2)[C@H]1CC ZINC001087500607 801752115 /nfs/dbraw/zinc/75/21/15/801752115.db2.gz RSVCNHBYCHBVLZ-QLFBSQMISA-N 1 1 296.842 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2C(C)(C)C2(C)C)[C@H]1CC ZINC001087532694 801755454 /nfs/dbraw/zinc/75/54/54/801755454.db2.gz VJYFHTCHZJEAQW-UONOGXRCSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CC=CCC2)[C@H]1CC ZINC001087584624 801757063 /nfs/dbraw/zinc/75/70/63/801757063.db2.gz PWFQVBYIMVCBST-LZLYRXPVSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2(F)CCCCC2)[C@H]1CC ZINC001087784158 801765286 /nfs/dbraw/zinc/76/52/86/801765286.db2.gz PCHARHKQLVZSCS-LSDHHAIUSA-N 1 1 296.430 3.204 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C)c2Cl)[C@H]1C ZINC001088930368 801814405 /nfs/dbraw/zinc/81/44/05/801814405.db2.gz YSTDLTFLVIHUHK-OCCSQVGLSA-N 1 1 292.810 3.027 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)s2)[C@H]1C ZINC001089020295 801816295 /nfs/dbraw/zinc/81/62/95/801816295.db2.gz BRXWWUGURHWBQG-MNOVXSKESA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2(C3CCCCC3)CC2)[C@H]1C ZINC001089006070 801816867 /nfs/dbraw/zinc/81/68/67/801816867.db2.gz MNNYWDMTOWHPJM-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C2CC2)CC(C)(C)C1 ZINC001089356133 801835072 /nfs/dbraw/zinc/83/50/72/801835072.db2.gz VCZKSLMSZBJDNN-HOCLYGCPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)C2CC2)CC(C)(C)C1 ZINC001089356131 801836048 /nfs/dbraw/zinc/83/60/48/801836048.db2.gz VCZKSLMSZBJDNN-GOEBONIOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2=CCCC2)CC(C)(C)C1 ZINC001089360919 801836200 /nfs/dbraw/zinc/83/62/00/801836200.db2.gz RWGWBHPCRFGOFJ-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)C=CCC2)CC(C)(C)C1 ZINC001089466274 801839572 /nfs/dbraw/zinc/83/95/72/801839572.db2.gz CCSSWVMMZNIJMR-YJBOKZPZSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2(C)CCC2)CC(C)(C)C1 ZINC001089464416 801839994 /nfs/dbraw/zinc/83/99/94/801839994.db2.gz IKDSTGYEFLBYNS-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccoc1 ZINC001089606016 801846013 /nfs/dbraw/zinc/84/60/13/801846013.db2.gz UDRAZOWYOCUTQB-HNNXBMFYSA-N 1 1 290.407 3.076 20 30 CGEDMO COc1cccc2c1CC[C@H]([N@H+]1CCC[C@H](C#N)CC1)C2 ZINC001256654456 806941610 /nfs/dbraw/zinc/94/16/10/806941610.db2.gz OMCHCCBQEJXTRM-HOCLYGCPSA-N 1 1 284.403 3.178 20 30 CGEDMO C=CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCCC2(C)C)[C@H](C)C1 ZINC001093233249 801865983 /nfs/dbraw/zinc/86/59/83/801865983.db2.gz IIIYAVJIAZIPFW-OAGGEKHMSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)C[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)CC)CC1 ZINC001093346084 801866728 /nfs/dbraw/zinc/86/67/28/801866728.db2.gz WUOAPTFMCISRPC-QGZVFWFLSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC(C)(C)C1)C2 ZINC001097703372 801903912 /nfs/dbraw/zinc/90/39/12/801903912.db2.gz JZPYYTOSRIXARP-OAGGEKHMSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)CC ZINC001098917098 801919939 /nfs/dbraw/zinc/91/99/39/801919939.db2.gz VZRZCSDCAQJGBY-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC1CCC1 ZINC001099001353 801923803 /nfs/dbraw/zinc/92/38/03/801923803.db2.gz SRZCHVQLVUSYFD-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCF ZINC001099176300 801932029 /nfs/dbraw/zinc/93/20/29/801932029.db2.gz OVQOKHPRAVDJHZ-HNNXBMFYSA-N 1 1 298.446 3.309 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1(C)CC(=C)C1 ZINC001099230093 801935070 /nfs/dbraw/zinc/93/50/70/801935070.db2.gz QQCGDMVCAICSFB-OAHLLOKOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)CCCCC)C[C@]2(C)C1 ZINC001101129494 801972385 /nfs/dbraw/zinc/97/23/85/801972385.db2.gz GMSVAIQPEFGUCK-AEFFLSMTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C)CCC)C[C@]2(C)C1 ZINC001101182814 801973665 /nfs/dbraw/zinc/97/36/65/801973665.db2.gz FHVAPNNMPSSJSW-JZXOWHBKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)/C(C)=C/C)C[C@]2(C)C1 ZINC001101191938 801974041 /nfs/dbraw/zinc/97/40/41/801974041.db2.gz WLWMPNRWTJIFFD-SRPCWJFDSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)CC[C@@H](C)CC)C[C@]2(C)C1 ZINC001101403610 801978119 /nfs/dbraw/zinc/97/81/19/801978119.db2.gz NLLHLMXIEXWSCZ-JZXOWHBKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C ZINC001102011572 801998290 /nfs/dbraw/zinc/99/82/90/801998290.db2.gz FWWMJSSTAFNDRV-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](CNC(=O)C2(CC(C)C)CCC2)[C@H](C)C1 ZINC001102141793 801999578 /nfs/dbraw/zinc/99/95/78/801999578.db2.gz JQGMLMJQZUIXGH-HZPDHXFCSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H]1C[N@@H+](CC(=C)Cl)C[C@H]1C ZINC001102328649 802006848 /nfs/dbraw/zinc/00/68/48/802006848.db2.gz RPOZQLXYWJWTOC-XPKDYRNWSA-N 1 1 298.858 3.025 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@@H+](C[C@H](C)CC)C[C@H]1C ZINC001102410029 802007010 /nfs/dbraw/zinc/00/70/10/802007010.db2.gz GQMCSQKVHKVMIK-BZUAXINKSA-N 1 1 294.483 3.319 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@H](C)CC(C)(C)C)[C@H](C)C1 ZINC001102435858 802009430 /nfs/dbraw/zinc/00/94/30/802009430.db2.gz MFFWWRZFHAUPOV-BZUAXINKSA-N 1 1 294.483 3.319 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC)C1 ZINC001102625746 802013897 /nfs/dbraw/zinc/01/38/97/802013897.db2.gz AGBDYJLLVKPMLP-HZPDHXFCSA-N 1 1 282.472 3.441 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CCCCC2)C1 ZINC001102643924 802016038 /nfs/dbraw/zinc/01/60/38/802016038.db2.gz SVZVZDANIHBYCW-NVXWUHKLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC(C)C)C1 ZINC001102654738 802016658 /nfs/dbraw/zinc/01/66/58/802016658.db2.gz YRELEWJEUWLNOR-IAGOWNOFSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC)C1 ZINC001102670868 802017175 /nfs/dbraw/zinc/01/71/75/802017175.db2.gz VZZAUTGTPQHKPF-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)/C(C)=C/C)C1 ZINC001102838418 802021914 /nfs/dbraw/zinc/02/19/14/802021914.db2.gz DGJSWMCZYAFTJU-APRWASCBSA-N 1 1 292.467 3.382 20 30 CGEDMO C#CCCCCC(=O)NCC[C@@H]1C[N@@H+](CCCC)C[C@H]1C ZINC001102883130 802023979 /nfs/dbraw/zinc/02/39/79/802023979.db2.gz DFXLZVFLOKPXDW-IAGOWNOFSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)C2CC2)C1 ZINC001103351768 802032544 /nfs/dbraw/zinc/03/25/44/802032544.db2.gz IZRYFWUIEKOSCN-HUUCEWRRSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C[C@H](CC)CC(=O)NCC[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC001103350452 802032807 /nfs/dbraw/zinc/03/28/07/802032807.db2.gz UAXVWRBEQSYIAF-BZUAXINKSA-N 1 1 280.456 3.071 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCC[C@@H]1C[N@@H+](CCCC)C[C@H]1C ZINC001103401793 802033027 /nfs/dbraw/zinc/03/30/27/802033027.db2.gz ODLCAXZMWKWQCQ-NUJGCVRESA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC2(C)C)C1 ZINC001103350278 802033300 /nfs/dbraw/zinc/03/33/00/802033300.db2.gz MVLNHGZDNCCJFB-OAGGEKHMSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCC[C@@H]1C[N@@H+](CC2CC2)C[C@H]1C ZINC001103401614 802033633 /nfs/dbraw/zinc/03/36/33/802033633.db2.gz HYBZTHUJCJHLME-QGPMSJSTSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)CCC)C1 ZINC001103581758 802036285 /nfs/dbraw/zinc/03/62/85/802036285.db2.gz PMGUKRWCJQENKX-IXDOHACOSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCC(=O)N1CCC([C@H]2[N@@H+](CC)CC23CCC3)CC1 ZINC001105389569 802056898 /nfs/dbraw/zinc/05/68/98/802056898.db2.gz SZVDLNIRDRDXLK-QGZVFWFLSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)CCC(C)C)CCC[C@@H]12 ZINC001107275891 802084394 /nfs/dbraw/zinc/08/43/94/802084394.db2.gz MRESYDZHDIKRBC-SJLPKXTDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(CNC(=O)CCC3CC3)CCC[C@@H]12 ZINC001107334811 802085584 /nfs/dbraw/zinc/08/55/84/802085584.db2.gz ZSWVDXISUQXQOB-SJLPKXTDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)CCC3CC3)CCC[C@@H]12 ZINC001107334736 802085998 /nfs/dbraw/zinc/08/59/98/802085998.db2.gz VKZODEWTFGGARS-SJLPKXTDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(CNC(=O)/C=C(\C)CC)CCC[C@@H]12 ZINC001107395606 802087828 /nfs/dbraw/zinc/08/78/28/802087828.db2.gz GSHGHCCTBULTQG-BNXJNQTNSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC1)CC2 ZINC001107524165 802089558 /nfs/dbraw/zinc/08/95/58/802089558.db2.gz KZZVSBGIEBWWOM-SJLPKXTDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)CCCC(C)C)CCC[C@@H]12 ZINC001107558918 802090704 /nfs/dbraw/zinc/09/07/04/802090704.db2.gz PQWPDNIULWIPQP-SJLPKXTDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)CCC)CCC[C@@H]12 ZINC001107591040 802092086 /nfs/dbraw/zinc/09/20/86/802092086.db2.gz PISKBTIDPJVDOI-LZLYRXPVSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)C(C)C)C2 ZINC001109046525 802106314 /nfs/dbraw/zinc/10/63/14/802106314.db2.gz LVRQVMHWUHPCDG-YVSFHVDLSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C(C)=C\C)C2 ZINC001109133108 802109739 /nfs/dbraw/zinc/10/97/39/802109739.db2.gz YNBVRGHZEKTKDD-YUNZQQIPSA-N 1 1 276.424 3.029 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C=C(CC)CC)C2 ZINC001109148190 802109900 /nfs/dbraw/zinc/10/99/00/802109900.db2.gz KFSFPILZKRMQLO-PMPSAXMXSA-N 1 1 276.424 3.030 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C(C)(C)C)C2 ZINC001109451224 802116196 /nfs/dbraw/zinc/11/61/96/802116196.db2.gz HEJXWQOJDFMQRM-WCVJEAGWSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C=C)CC)C2 ZINC001109634538 802121525 /nfs/dbraw/zinc/12/15/25/802121525.db2.gz PLMDRSDFOSXGDM-YVSFHVDLSA-N 1 1 290.451 3.276 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C(C)C)CC1)C2 ZINC001109703585 802122428 /nfs/dbraw/zinc/12/24/28/802122428.db2.gz VXDXEYHHJDLRTJ-PMPSAXMXSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=C)C)CC1 ZINC001109682064 802123320 /nfs/dbraw/zinc/12/33/20/802123320.db2.gz RWCTXQHSEPSACG-PMPSAXMXSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C)cc1)C2 ZINC001110024507 802128943 /nfs/dbraw/zinc/12/89/43/802128943.db2.gz MUEDNFAJMIJMAD-SQNIBIBYSA-N 1 1 298.430 3.296 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1=CCCCC1 ZINC001110368863 802138234 /nfs/dbraw/zinc/13/82/34/802138234.db2.gz PFCRLPOONWXZET-ZACQAIPSSA-N 1 1 288.435 3.175 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)CCC=C ZINC001110378879 802139246 /nfs/dbraw/zinc/13/92/46/802139246.db2.gz MKPZUEJWLSWFNT-JJXSEGSLSA-N 1 1 276.424 3.029 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CCC1)C2 ZINC001110419723 802139976 /nfs/dbraw/zinc/13/99/76/802139976.db2.gz XBVMINSRNJXRBQ-SVGFKBNWSA-N 1 1 290.451 3.253 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)CC)C2 ZINC001110491644 802142495 /nfs/dbraw/zinc/14/24/95/802142495.db2.gz UXJNWQKUAHHBTD-FPCVCCKLSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)CCCC)C2 ZINC001110519520 802144714 /nfs/dbraw/zinc/14/47/14/802144714.db2.gz YBZLGVRSCBETJP-JJXSEGSLSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(C)=C(C)C)C2 ZINC001110909899 802147893 /nfs/dbraw/zinc/14/78/93/802147893.db2.gz ZDSOTYFBFLPYOI-OAGGEKHMSA-N 1 1 276.424 3.030 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1 ZINC001110890996 802148341 /nfs/dbraw/zinc/14/83/41/802148341.db2.gz PAYRUWMFNGDQLB-OAGGEKHMSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1 ZINC001110934089 802150621 /nfs/dbraw/zinc/15/06/21/802150621.db2.gz YCQJRKXWBSNEAA-DZUCGIPZSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(CCC)CC1)C2 ZINC001110999479 802152832 /nfs/dbraw/zinc/15/28/32/802152832.db2.gz YXFSSGLCLLZRHM-OAGGEKHMSA-N 1 1 290.451 3.254 20 30 CGEDMO CCCCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCF ZINC001111313773 802159091 /nfs/dbraw/zinc/15/90/91/802159091.db2.gz UOSWOTSBFYQGNR-OAGGEKHMSA-N 1 1 298.446 3.428 20 30 CGEDMO CCCCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCF ZINC001111313773 802159093 /nfs/dbraw/zinc/15/90/93/802159093.db2.gz UOSWOTSBFYQGNR-OAGGEKHMSA-N 1 1 298.446 3.428 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCCCC)C2 ZINC001111348841 802160959 /nfs/dbraw/zinc/16/09/59/802160959.db2.gz OILOZEOHGGYQKE-OAGGEKHMSA-N 1 1 278.440 3.254 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C/C=C(/C)C=C)C1 ZINC001111837064 802168384 /nfs/dbraw/zinc/16/83/84/802168384.db2.gz GPRSFUFTLRZXJD-GFNBKLKVSA-N 1 1 288.435 3.056 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[NH+](CC/C=C/CCC)CC1 ZINC001113388905 802219181 /nfs/dbraw/zinc/21/91/81/802219181.db2.gz XVZCWRGNJQBODE-CMDGGOBGSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCC[NH+]1CCN(C(=O)[C@@H](F)CCCCCC)CC1 ZINC001113536676 802229308 /nfs/dbraw/zinc/22/93/08/802229308.db2.gz YYLFIMUJXUZFBV-HNNXBMFYSA-N 1 1 284.419 3.015 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)[C@H](CCCC)C(C)C)CC1 ZINC001113697096 802231826 /nfs/dbraw/zinc/23/18/26/802231826.db2.gz YUCZOOBDROHAFE-MRXNPFEDSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)CCCC ZINC001113913696 802236425 /nfs/dbraw/zinc/23/64/25/802236425.db2.gz QSLNQZWFXIKNKV-MWDXBVQZSA-N 1 1 292.467 3.215 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1(C)C ZINC001114142211 802238757 /nfs/dbraw/zinc/23/87/57/802238757.db2.gz CEUJZIXETMCMBO-XUWVNRHRSA-N 1 1 292.467 3.049 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCCC(C)C)C[C@H]21 ZINC001114726554 802243684 /nfs/dbraw/zinc/24/36/84/802243684.db2.gz NTWGLWTVTGGYEE-CBZIJGRNSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](CCCCCCC)C[C@H]21 ZINC001114686495 802243869 /nfs/dbraw/zinc/24/38/69/802243869.db2.gz MLCWJDOGBUEQPG-ZSHCYNCHSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CCC)C(C)C ZINC001114910858 802247136 /nfs/dbraw/zinc/24/71/36/802247136.db2.gz XCXKWFDIAKSRCN-NCOADZHNSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(CC)(CC)CC ZINC001115023166 802250426 /nfs/dbraw/zinc/25/04/26/802250426.db2.gz OEWBAARHNCPVFS-ZSHCYNCHSA-N 1 1 292.467 3.215 20 30 CGEDMO C#CCOCC[N@H+](C)CCSc1ccc(Cl)cc1 ZINC001116402143 802343844 /nfs/dbraw/zinc/34/38/44/802343844.db2.gz XQWHCDFZUQXEPP-UHFFFAOYSA-N 1 1 283.824 3.014 20 30 CGEDMO N#CC1(C[NH+]2CCC(c3nc4ccccc4o3)CC2)CC1 ZINC001116475238 802360197 /nfs/dbraw/zinc/36/01/97/802360197.db2.gz XPHCQGFWXVEGCO-UHFFFAOYSA-N 1 1 281.359 3.311 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC001116541232 802374929 /nfs/dbraw/zinc/37/49/29/802374929.db2.gz BONQWXOHJRWMIY-AWEZNQCLSA-N 1 1 283.318 3.065 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001116556970 802377985 /nfs/dbraw/zinc/37/79/85/802377985.db2.gz VXLGOPFUCACXSA-CYBMUJFWSA-N 1 1 296.754 3.025 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001116556970 802377988 /nfs/dbraw/zinc/37/79/88/802377988.db2.gz VXLGOPFUCACXSA-CYBMUJFWSA-N 1 1 296.754 3.025 20 30 CGEDMO CC(C)c1noc([C@@H]2CCC[N@H+]([C@H](C)CCCC#N)C2)n1 ZINC001172501433 808357460 /nfs/dbraw/zinc/35/74/60/808357460.db2.gz QEEQSMOLHNEWOR-ZIAGYGMSSA-N 1 1 290.411 3.455 20 30 CGEDMO CC(C)c1noc([C@H]2CCC[N@H+]([C@@H](C)CCCC#N)C2)n1 ZINC001172501424 808358077 /nfs/dbraw/zinc/35/80/77/808358077.db2.gz QEEQSMOLHNEWOR-KBPBESRZSA-N 1 1 290.411 3.455 20 30 CGEDMO CCCCCCC[C@H](CCC)n1cnc(C[NH3+])n1 ZINC001172501281 808358098 /nfs/dbraw/zinc/35/80/98/808358098.db2.gz GEHCNZLSIPDKSK-ZDUSSCGKSA-N 1 1 252.406 3.439 20 30 CGEDMO C[N@@H+](CCCCC1(C#N)CCC1)C[C@H]1CCCC[C@@H]1O ZINC001119700656 802693120 /nfs/dbraw/zinc/69/31/20/802693120.db2.gz AFFYJPVQSVJLBU-CVEARBPZSA-N 1 1 278.440 3.333 20 30 CGEDMO C[C@]1(C#N)CCC[N@H+](CC2(c3ccc4c(c3)OCO4)CC2)C1 ZINC001180305389 809991638 /nfs/dbraw/zinc/99/16/38/809991638.db2.gz LTNXEYQSHPIMRV-QGZVFWFLSA-N 1 1 298.386 3.073 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](CC2(c3ccc4c(c3)OCO4)CC2)C1 ZINC001180305389 809991643 /nfs/dbraw/zinc/99/16/43/809991643.db2.gz LTNXEYQSHPIMRV-QGZVFWFLSA-N 1 1 298.386 3.073 20 30 CGEDMO CO[C@H]1C[N@@H+](Cc2cc(Cl)cc(C#N)c2)CC[C@H]1C ZINC001119761300 802698059 /nfs/dbraw/zinc/69/80/59/802698059.db2.gz MNXSVZKXSAPDOX-ABAIWWIYSA-N 1 1 278.783 3.068 20 30 CGEDMO C=CC[C@@H]1[N@H+](Cc2[nH]nc3c2COCC3)CCCC1(C)C ZINC001119772368 802699791 /nfs/dbraw/zinc/69/97/91/802699791.db2.gz WXVYLJAIOBREOE-INIZCTEOSA-N 1 1 289.423 3.049 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC001119852467 802703687 /nfs/dbraw/zinc/70/36/87/802703687.db2.gz VBFZJFSTGCXRDM-ZIAGYGMSSA-N 1 1 263.331 3.379 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2nc(-c3ccccc3)c[nH]2)cc1 ZINC001120282592 802738398 /nfs/dbraw/zinc/73/83/98/802738398.db2.gz WBENINBOZLEAAK-UHFFFAOYSA-N 1 1 288.354 3.238 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CCC)C1 ZINC001120347188 802740608 /nfs/dbraw/zinc/74/06/08/802740608.db2.gz DODKCJNUYLMFPU-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CC)C1 ZINC001120391853 802743811 /nfs/dbraw/zinc/74/38/11/802743811.db2.gz HYHBGSVFVJDXTC-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]([C@@H]2CCC[N@@H+]2CCC)C1 ZINC001120423271 802744406 /nfs/dbraw/zinc/74/44/06/802744406.db2.gz STPADMDGEKRQRF-SJORKVTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001120594439 802751904 /nfs/dbraw/zinc/75/19/04/802751904.db2.gz OODSSVHNDIDYGY-OWCLPIDISA-N 1 1 278.440 3.207 20 30 CGEDMO C=C(C)CCC(=O)N1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC001120773704 802775628 /nfs/dbraw/zinc/77/56/28/802775628.db2.gz ZTGXRNBUJGXCCA-UHFFFAOYSA-N 1 1 275.396 3.089 20 30 CGEDMO CC(C)(C)C#CCN[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256908290 807007118 /nfs/dbraw/zinc/00/71/18/807007118.db2.gz MBQHKDNBKLXFFB-OAHLLOKOSA-N 1 1 262.441 3.033 20 30 CGEDMO CC(C)(C)C#CC[NH2+][C@@H]1CCCN(C2CCCC2)C1 ZINC001256908290 807007125 /nfs/dbraw/zinc/00/71/25/807007125.db2.gz MBQHKDNBKLXFFB-OAHLLOKOSA-N 1 1 262.441 3.033 20 30 CGEDMO C[N@H+]1CCCC[C@@H]1c1ccc(-c2ccc(N)c(C#N)c2)nc1 ZINC001244111891 803191128 /nfs/dbraw/zinc/19/11/28/803191128.db2.gz BZDDYWDXENIURH-GOSISDBHSA-N 1 1 292.386 3.359 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H](NC(=O)C(C)(C)F)CC[C@@H]1C ZINC001131742797 803340053 /nfs/dbraw/zinc/34/00/53/803340053.db2.gz HOSDSCAHWTXCNZ-LSDHHAIUSA-N 1 1 298.446 3.450 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H](NC(=O)CSC)CC[C@H]1C ZINC001131807292 803347179 /nfs/dbraw/zinc/34/71/79/803347179.db2.gz AZIKKZNFGOSWDE-CABCVRRESA-N 1 1 298.496 3.065 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)CCC(C)C)CC[C@@H]1C ZINC001131787753 803347373 /nfs/dbraw/zinc/34/73/73/803347373.db2.gz LQVQZCYSYQEXRM-HOTGVXAUSA-N 1 1 280.456 3.358 20 30 CGEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)CCCC(C)(C)C)CC[C@H]1C ZINC001131899060 803354934 /nfs/dbraw/zinc/35/49/34/803354934.db2.gz HWRIQCHLCSLRKE-CVEARBPZSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)c2coc(C)c2)CC[C@H]1C ZINC001131984924 803364402 /nfs/dbraw/zinc/36/44/02/803364402.db2.gz RNEHHUPTWOOQHS-CJNGLKHVSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)C2CC(C)(C)C2)CC[C@@H]1C ZINC001132000235 803365447 /nfs/dbraw/zinc/36/54/47/803365447.db2.gz ZLCSTEVJCIKAML-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCC(C)(C)C)C1 ZINC001132003761 803366231 /nfs/dbraw/zinc/36/62/31/803366231.db2.gz ZLEBJIJDTBDNNM-CVEARBPZSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CCCF)C1 ZINC001132057022 803369115 /nfs/dbraw/zinc/36/91/15/803369115.db2.gz IXLFUYXAYXDKFF-GOEBONIOSA-N 1 1 296.430 3.084 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)/C=C(\C)CC)CC[C@H]1C ZINC001132042437 803369444 /nfs/dbraw/zinc/36/94/44/803369444.db2.gz UVCHAIVUGUAATP-GSEJNISDSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=C)C)C1 ZINC001132056985 803369562 /nfs/dbraw/zinc/36/95/62/803369562.db2.gz ICPBBETWFUZVGF-DOTOQJQBSA-N 1 1 290.451 3.300 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)CCC(=C)C)CC[C@H]1C ZINC001132072523 803371475 /nfs/dbraw/zinc/37/14/75/803371475.db2.gz LPWMSJWDIFWRED-HZPDHXFCSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC2CCC2)C1 ZINC001132071669 803372080 /nfs/dbraw/zinc/37/20/80/803372080.db2.gz DCLJQZLTLSHBDF-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(=C)Cl)CC[C@H]1C ZINC001132079059 803372532 /nfs/dbraw/zinc/37/25/32/803372532.db2.gz SIESZWIKVPPRSH-OCCSQVGLSA-N 1 1 298.858 3.310 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCCCCF)C1 ZINC001132073983 803372963 /nfs/dbraw/zinc/37/29/63/803372963.db2.gz ZBMUYJLWMOUIBV-CVEARBPZSA-N 1 1 298.446 3.452 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(=C)C)CC[C@@H]1C ZINC001132219070 803380058 /nfs/dbraw/zinc/38/00/58/803380058.db2.gz ZNQRNNNSKMOXGO-GJZGRUSLSA-N 1 1 278.440 3.134 20 30 CGEDMO CC#CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC=C(C)C)C1 ZINC001132224860 803381321 /nfs/dbraw/zinc/38/13/21/803381321.db2.gz RHDVXMZSLGEFKM-IRXDYDNUSA-N 1 1 290.451 3.115 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](CCCCC)C1 ZINC001132227924 803381712 /nfs/dbraw/zinc/38/17/12/803381712.db2.gz JHDDZBKQMZUMCN-GJZGRUSLSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)C/C=C(\C)C=C)CC[C@@H]1C ZINC001132225465 803381766 /nfs/dbraw/zinc/38/17/66/803381766.db2.gz XFLALPLQXBYFGE-TUTJWUKCSA-N 1 1 290.451 3.444 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](CCC2CC2)C1 ZINC001132249818 803387805 /nfs/dbraw/zinc/38/78/05/803387805.db2.gz SUXGQGFCIFXBJX-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO CC#CC[N@H+]1C[C@@H](NC(=O)C(CCC)CCC)CC[C@H]1C ZINC001132255775 803388834 /nfs/dbraw/zinc/38/88/34/803388834.db2.gz FKHYLFQLXIMBCH-WBVHZDCISA-N 1 1 292.467 3.195 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)CCC2(C)CC2)CC[C@H]1C ZINC001132413712 803401953 /nfs/dbraw/zinc/40/19/53/803401953.db2.gz GDIXTTQWNLLROW-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C2(CC=C)CCCC2)CC[C@@H]1C ZINC001132545937 803413339 /nfs/dbraw/zinc/41/33/39/803413339.db2.gz HBPWBNDZJYSTLQ-HOTGVXAUSA-N 1 1 290.451 3.278 20 30 CGEDMO Cc1[nH+]ccn1-c1cc(-c2cccc(Cl)c2C#N)ncn1 ZINC001244715509 803510666 /nfs/dbraw/zinc/51/06/66/803510666.db2.gz AUGBPAUMCGKMIS-UHFFFAOYSA-N 1 1 295.733 3.163 20 30 CGEDMO C=CCC1(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CCCCC1 ZINC001136225135 803637625 /nfs/dbraw/zinc/63/76/25/803637625.db2.gz TYYDAHJLSHXXNF-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2c[nH]c3cccc(F)c23)CC1 ZINC001136985762 803668028 /nfs/dbraw/zinc/66/80/28/803668028.db2.gz UTHQYTTXFBPOKI-GFCCVEGCSA-N 1 1 271.339 3.433 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1-n1cccn1 ZINC001137099632 803683578 /nfs/dbraw/zinc/68/35/78/803683578.db2.gz WYNMBDNUBTTWOM-XGBSXSJOSA-N 1 1 292.386 3.139 20 30 CGEDMO COc1ccc(C[N@H+]2CCC3(CCCC3)C2)c(C#N)c1 ZINC001137703094 803761552 /nfs/dbraw/zinc/76/15/52/803761552.db2.gz DBTFKUYFWGOZDZ-UHFFFAOYSA-N 1 1 270.376 3.333 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)o2)CC1 ZINC001138177122 803871810 /nfs/dbraw/zinc/87/18/10/803871810.db2.gz HKCLBJWJXPLAFN-HNNXBMFYSA-N 1 1 287.407 3.396 20 30 CGEDMO O[C@H]1CCC[N@@H+](Cc2ccc(C#Cc3ccccc3)cc2)C1 ZINC001138333652 803896783 /nfs/dbraw/zinc/89/67/83/803896783.db2.gz KHXOLUFMZLLGFG-FQEVSTJZSA-N 1 1 291.394 3.043 20 30 CGEDMO COc1c(C)cc(C[N@H+]2CCC[C@H](C#N)CC2)cc1C ZINC001138428696 803932940 /nfs/dbraw/zinc/93/29/40/803932940.db2.gz PZBPPIDUSPHTND-HNNXBMFYSA-N 1 1 272.392 3.438 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@@](C)(F)C2)cc1 ZINC001138556104 803966888 /nfs/dbraw/zinc/96/68/88/803966888.db2.gz FZCMATAMUYVVFF-MRXNPFEDSA-N 1 1 261.340 3.023 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2c[nH]c3cc(OC)ccc23)C1 ZINC001138590573 803976908 /nfs/dbraw/zinc/97/69/08/803976908.db2.gz SKWKZDKUCVUTFW-CYBMUJFWSA-N 1 1 268.360 3.022 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CCC[C@](C)(O)[C@H](C)C2)c1O ZINC001138625326 803982407 /nfs/dbraw/zinc/98/24/07/803982407.db2.gz JITMGFHHXZTURH-KDOFPFPSSA-N 1 1 289.419 3.104 20 30 CGEDMO C=CCc1cccc(C[N@@H+](C)Cc2ccc(C)nc2)c1O ZINC001138630290 803985653 /nfs/dbraw/zinc/98/56/53/803985653.db2.gz VIFFHPTVAKVEQT-UHFFFAOYSA-N 1 1 282.387 3.456 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC001138661811 803994093 /nfs/dbraw/zinc/99/40/93/803994093.db2.gz HAKRGPXYNJOGGE-SJORKVTESA-N 1 1 287.403 3.110 20 30 CGEDMO N#CCC1C[NH+](Cc2c[nH]c3c2cccc3Cl)C1 ZINC001138830650 804055300 /nfs/dbraw/zinc/05/53/00/804055300.db2.gz SKROAAZZOFIZKO-UHFFFAOYSA-N 1 1 259.740 3.167 20 30 CGEDMO CCCCCCCC[C@H](O)C[NH2+]C[C@H]1CC[C@@H](C)CN1 ZINC001245995092 804095308 /nfs/dbraw/zinc/09/53/08/804095308.db2.gz SPACQGHZQYKDNO-ZACQAIPSSA-N 1 1 284.488 3.076 20 30 CGEDMO CCCCCCCCCC[C@H](O)CN[C@H]1C[C@@H]([NH2+]C)C1 ZINC001246012555 804097811 /nfs/dbraw/zinc/09/78/11/804097811.db2.gz ATARRQFRTPUOSM-BBWFWOEESA-N 1 1 284.488 3.218 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[N@H+]1CC[NH2+]C[C@@H](C)C1 ZINC001246034252 804101748 /nfs/dbraw/zinc/10/17/48/804101748.db2.gz XAVFTLBUCUUKSD-QZTJIDSGSA-N 1 1 298.515 3.419 20 30 CGEDMO CCCCCCCCCC[C@@H](O)CN1CC[NH2+]C[C@@H](C)C1 ZINC001246034252 804101757 /nfs/dbraw/zinc/10/17/57/804101757.db2.gz XAVFTLBUCUUKSD-QZTJIDSGSA-N 1 1 298.515 3.419 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[N@@H+]1CCNC2(CC2)C1 ZINC001246043834 804104333 /nfs/dbraw/zinc/10/43/33/804104333.db2.gz CONGEAPWHBQWTA-QGZVFWFLSA-N 1 1 296.499 3.316 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[N@H+]1CCNC2(CC2)C1 ZINC001246043834 804104339 /nfs/dbraw/zinc/10/43/39/804104339.db2.gz CONGEAPWHBQWTA-QGZVFWFLSA-N 1 1 296.499 3.316 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001139029014 804112637 /nfs/dbraw/zinc/11/26/37/804112637.db2.gz NGUZUXWIEHEVAS-QAPCUYQASA-N 1 1 287.403 3.252 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCCCC12COC2 ZINC001139029865 804114714 /nfs/dbraw/zinc/11/47/14/804114714.db2.gz SREWPLUNKURSRW-UHFFFAOYSA-N 1 1 273.376 3.006 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCCCC12COC2 ZINC001139029865 804114717 /nfs/dbraw/zinc/11/47/17/804114717.db2.gz SREWPLUNKURSRW-UHFFFAOYSA-N 1 1 273.376 3.006 20 30 CGEDMO C#CC1CC[NH+](Cc2cc(F)cc(Br)c2)CC1 ZINC001139178415 804150909 /nfs/dbraw/zinc/15/09/09/804150909.db2.gz XDSDVYQGPXXWBG-UHFFFAOYSA-N 1 1 296.183 3.433 20 30 CGEDMO N#CCC[N@H+](Cc1ccc2nsnc2c1)C1CCCC1 ZINC001139213355 804165178 /nfs/dbraw/zinc/16/51/78/804165178.db2.gz VXGKNOGATDJWRM-UHFFFAOYSA-N 1 1 286.404 3.350 20 30 CGEDMO N#CCC[N@@H+](Cc1ccc2nsnc2c1)C1CCCC1 ZINC001139213355 804165182 /nfs/dbraw/zinc/16/51/82/804165182.db2.gz VXGKNOGATDJWRM-UHFFFAOYSA-N 1 1 286.404 3.350 20 30 CGEDMO CCCCCCCCC[C@H](C)[NH2+][C@H]1CN[C@@H]2CCO[C@@H]21 ZINC001246149102 804169875 /nfs/dbraw/zinc/16/98/75/804169875.db2.gz CAWAUFHJBGUWNA-YVSFHVDLSA-N 1 1 282.472 3.235 20 30 CGEDMO CCCCCCC[C@@H](CC(C)C)[NH2+]C[C@@]1(O)CCCNC1 ZINC001246225196 804219607 /nfs/dbraw/zinc/21/96/07/804219607.db2.gz BACSOXQRDSEZTL-ZWKOTPCHSA-N 1 1 298.515 3.466 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cccc(Cl)c2C#N)CCC[C@@]1(C)O ZINC001139687595 804254547 /nfs/dbraw/zinc/25/45/47/804254547.db2.gz UBZVINCZSGBBLF-BLLLJJGKSA-N 1 1 292.810 3.195 20 30 CGEDMO CC1CC([N@@H+](C)Cc2c[nH]c3c2cccc3C#N)C1 ZINC001139701089 804257475 /nfs/dbraw/zinc/25/74/75/804257475.db2.gz ABXZQONRWFQCHX-UHFFFAOYSA-N 1 1 253.349 3.270 20 30 CGEDMO CCCCCCC[N@@H+](C)Cc1cn2ccncc2n1 ZINC001139697556 804258567 /nfs/dbraw/zinc/25/85/67/804258567.db2.gz JMFDVEKSTXPTKO-UHFFFAOYSA-N 1 1 260.385 3.132 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@]3(C2)CCCCO3)cc1C#N ZINC001139723156 804267772 /nfs/dbraw/zinc/26/77/72/804267772.db2.gz SRWIDZFTNGXHMC-KRWDZBQOSA-N 1 1 270.376 3.012 20 30 CGEDMO C=CCn1cc(C[N@@H+](C)CCc2cccc(Cl)c2)cn1 ZINC001139772926 804280000 /nfs/dbraw/zinc/28/00/00/804280000.db2.gz UHHUZVGHRNDYKM-UHFFFAOYSA-N 1 1 289.810 3.397 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cccc(OC(C)C)c2)no1 ZINC001212324923 815005264 /nfs/dbraw/zinc/00/52/64/815005264.db2.gz CLMDBNLLQXSOEJ-HNNXBMFYSA-N 1 1 299.374 3.327 20 30 CGEDMO CC(C)(C)C#CC[NH2+][C@H]1CCN[C@@H](c2ccccc2)C1 ZINC001246326932 804282030 /nfs/dbraw/zinc/28/20/30/804282030.db2.gz PUBWHJTWRMZPSY-DLBZAZTESA-N 1 1 270.420 3.119 20 30 CGEDMO C=CCC[C@H](C)NC1(c2ccc(F)cc2)CC[NH2+]CC1 ZINC001246334355 804289801 /nfs/dbraw/zinc/28/98/01/804289801.db2.gz CLHXZKFXNZNTIJ-AWEZNQCLSA-N 1 1 276.399 3.349 20 30 CGEDMO C=CCC[C@H](C)[NH2+]C1(c2ccc(F)cc2)CCNCC1 ZINC001246334355 804289806 /nfs/dbraw/zinc/28/98/06/804289806.db2.gz CLHXZKFXNZNTIJ-AWEZNQCLSA-N 1 1 276.399 3.349 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc3ncccc3c2)no1 ZINC001212325146 815005960 /nfs/dbraw/zinc/00/59/60/815005960.db2.gz KJVHGPYJSZAKQT-AWEZNQCLSA-N 1 1 292.342 3.088 20 30 CGEDMO Cn1c(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc2ccccc21 ZINC001139871615 804302107 /nfs/dbraw/zinc/30/21/07/804302107.db2.gz IDZGKBDIBQCLPD-MKZZRHPPSA-N 1 1 279.387 3.445 20 30 CGEDMO C[N@@H+](CCC(=O)c1ccccc1)Cc1cc(F)cc(C#N)c1 ZINC001139874992 804304700 /nfs/dbraw/zinc/30/47/00/804304700.db2.gz FPUHIKLQSONRSQ-UHFFFAOYSA-N 1 1 296.345 3.402 20 30 CGEDMO C[C@H]1C[N@H+](Cc2cc(F)cc(C#N)c2)CCC1(F)F ZINC001139873169 804304973 /nfs/dbraw/zinc/30/49/73/804304973.db2.gz CVHDRNPSXNZZEP-JTQLQIEISA-N 1 1 268.282 3.174 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cc(F)cc(C#N)c2)CCC1(F)F ZINC001139873169 804304982 /nfs/dbraw/zinc/30/49/82/804304982.db2.gz CVHDRNPSXNZZEP-JTQLQIEISA-N 1 1 268.282 3.174 20 30 CGEDMO N#Cc1cc(F)cc(C[N@@H+]2CCC[C@H](F)CC2)c1 ZINC001139873440 804305536 /nfs/dbraw/zinc/30/55/36/804305536.db2.gz PVXBYLHGGBRISD-ZDUSSCGKSA-N 1 1 250.292 3.021 20 30 CGEDMO CC[N@@H+](Cc1cc(F)cc(C#N)c1)Cc1ccccc1O ZINC001139876304 804308842 /nfs/dbraw/zinc/30/88/42/804308842.db2.gz QRHMALODSWWUJW-UHFFFAOYSA-N 1 1 284.334 3.425 20 30 CGEDMO N#Cc1ccc2[nH]cc(C[N@H+]3CCC4(CC4)C3)c2c1 ZINC001140110679 804379346 /nfs/dbraw/zinc/37/93/46/804379346.db2.gz PZYFIDOYCNCOLA-UHFFFAOYSA-N 1 1 251.333 3.025 20 30 CGEDMO N#Cc1ccc2[nH]cc(C[N@H+]3CCC4(C3)CCOCC4)c2c1 ZINC001140114111 804381258 /nfs/dbraw/zinc/38/12/58/804381258.db2.gz KOZMAFQALRQBGG-UHFFFAOYSA-N 1 1 295.386 3.042 20 30 CGEDMO CCCCCCCCCC[C@@H](C)[N@H+]1CCNC[C@H](O)C1 ZINC001246598154 804437442 /nfs/dbraw/zinc/43/74/42/804437442.db2.gz GYYYDCMNZMHABW-SJORKVTESA-N 1 1 284.488 3.172 20 30 CGEDMO CCCCCCCCCC[C@@H](C)N1CC[NH2+]C[C@H](O)C1 ZINC001246598154 804437447 /nfs/dbraw/zinc/43/74/47/804437447.db2.gz GYYYDCMNZMHABW-SJORKVTESA-N 1 1 284.488 3.172 20 30 CGEDMO C=CC[NH+]1CCN(Cc2cc(Cl)sc2Cl)CC1 ZINC001140588786 804467731 /nfs/dbraw/zinc/46/77/31/804467731.db2.gz LYDWWXWPUAGKKE-UHFFFAOYSA-N 1 1 291.247 3.359 20 30 CGEDMO N#Cc1ccc(Cl)c(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c1 ZINC001140600012 804471506 /nfs/dbraw/zinc/47/15/06/804471506.db2.gz ZPHUUWLAVYANLV-XJKSGUPXSA-N 1 1 290.794 3.213 20 30 CGEDMO C[C@H]1C[C@H]2C[N@@H+](Cc3cc(C#N)ccc3Cl)CC[C@H]2O1 ZINC001140599046 804471617 /nfs/dbraw/zinc/47/16/17/804471617.db2.gz NYRLJPCLUAHCOR-HZUKXOBISA-N 1 1 290.794 3.211 20 30 CGEDMO CCCCCCCCC[C@H](C)[N@H+]1C[C@@H]2COC[C@H](C1)N2 ZINC001246674143 804489250 /nfs/dbraw/zinc/48/92/50/804489250.db2.gz NXQSCXKLVOXQIP-YESZJQIVSA-N 1 1 282.472 3.188 20 30 CGEDMO N#Cc1c(F)cc(C[N@H+]2CCC[C@@H](F)CC2)cc1F ZINC001140751323 804505155 /nfs/dbraw/zinc/50/51/55/804505155.db2.gz SAPROBOJYOTBQZ-LLVKDONJSA-N 1 1 268.282 3.160 20 30 CGEDMO N#Cc1c(F)cc(C[N@@H+]2CCC[C@@H](F)CC2)cc1F ZINC001140751323 804505161 /nfs/dbraw/zinc/50/51/61/804505161.db2.gz SAPROBOJYOTBQZ-LLVKDONJSA-N 1 1 268.282 3.160 20 30 CGEDMO CC[C@H]1CNCC[N@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001246807157 804524741 /nfs/dbraw/zinc/52/47/41/804524741.db2.gz ZQKAFJNZVVPJQQ-VIQWUECVSA-N 1 1 297.446 3.074 20 30 CGEDMO CC[C@H]1C[NH2+]CCN1C1CCC(C#N)(c2ccccc2)CC1 ZINC001246807157 804524745 /nfs/dbraw/zinc/52/47/45/804524745.db2.gz ZQKAFJNZVVPJQQ-VIQWUECVSA-N 1 1 297.446 3.074 20 30 CGEDMO N#Cc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c1Cl ZINC001140808513 804525767 /nfs/dbraw/zinc/52/57/67/804525767.db2.gz UIKPAXGJBCFAGH-BETUJISGSA-N 1 1 260.768 3.444 20 30 CGEDMO C=CCN(Cc1ccccc1)[C@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246838134 804546740 /nfs/dbraw/zinc/54/67/40/804546740.db2.gz BEDKJWIZWUVFEK-PIIMJCKOSA-N 1 1 270.420 3.348 20 30 CGEDMO N#CC1CCC([NH2+]C2(c3ccccc3Cl)COC2)CC1 ZINC001256960386 807017878 /nfs/dbraw/zinc/01/78/78/807017878.db2.gz WCRHPBBUEPHMEC-UHFFFAOYSA-N 1 1 290.794 3.237 20 30 CGEDMO N#CC1CCC([N@H+]2CC[C@@H](F)C(F)(F)CC2)CC1 ZINC001256965717 807018427 /nfs/dbraw/zinc/01/84/27/807018427.db2.gz YHOATOLOXJBJAV-HTAVTVPLSA-N 1 1 260.303 3.138 20 30 CGEDMO N#CC1CCC([N@H+]2CCC[C@@H]2c2ccncc2)CC1 ZINC001256969049 807018903 /nfs/dbraw/zinc/01/89/03/807018903.db2.gz YKDTVNROYIQUIP-AVVWSFFYSA-N 1 1 255.365 3.301 20 30 CGEDMO C[C@@H]1CC[N@H+](C2CCC(C#N)CC2)CCC1(F)F ZINC001256965424 807019581 /nfs/dbraw/zinc/01/95/81/807019581.db2.gz UAFDISRUFSPMIO-PNESKVBLSA-N 1 1 256.340 3.436 20 30 CGEDMO C[C@@H]1C[C@@H](N)C[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001246864255 804567798 /nfs/dbraw/zinc/56/77/98/804567798.db2.gz SFWWAHFOYSHALG-ZIPRAHGXSA-N 1 1 297.446 3.254 20 30 CGEDMO C[C@@H]1C[C@@H]([NH3+])CN(C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001246864255 804567801 /nfs/dbraw/zinc/56/78/01/804567801.db2.gz SFWWAHFOYSHALG-ZIPRAHGXSA-N 1 1 297.446 3.254 20 30 CGEDMO COCC[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1C#N ZINC001141165090 804601800 /nfs/dbraw/zinc/60/18/00/804601800.db2.gz TUONSDGMJSONAD-INIZCTEOSA-N 1 1 276.355 3.088 20 30 CGEDMO COc1ccc(CC[N@@H+](C)Cc2ccc(F)cc2C#N)cc1 ZINC001141166356 804603931 /nfs/dbraw/zinc/60/39/31/804603931.db2.gz HVNRUJJZQKRGLM-UHFFFAOYSA-N 1 1 298.361 3.380 20 30 CGEDMO C[C@H]1[C@@H](N)CCC[N@H+]1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246937202 804608784 /nfs/dbraw/zinc/60/87/84/804608784.db2.gz HQQNQLYKPWUHCK-QKHJWGRCSA-N 1 1 297.446 3.396 20 30 CGEDMO C[C@H]1[C@@H]([NH3+])CCCN1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246937202 804608788 /nfs/dbraw/zinc/60/87/88/804608788.db2.gz HQQNQLYKPWUHCK-QKHJWGRCSA-N 1 1 297.446 3.396 20 30 CGEDMO CC(=O)C[N@@H+](C)Cc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001141289597 804628706 /nfs/dbraw/zinc/62/87/06/804628706.db2.gz LCPRJPUFZPOXFO-UHFFFAOYSA-N 1 1 294.354 3.371 20 30 CGEDMO CC(=O)C[N@H+](C)Cc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001141289597 804628710 /nfs/dbraw/zinc/62/87/10/804628710.db2.gz LCPRJPUFZPOXFO-UHFFFAOYSA-N 1 1 294.354 3.371 20 30 CGEDMO C[C@@H]1CC[N@H+](Cc2cc(Br)ccc2C#N)C1 ZINC001141897252 804677996 /nfs/dbraw/zinc/67/79/96/804677996.db2.gz LMEHAPVFCPQSTD-SNVBAGLBSA-N 1 1 279.181 3.163 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2C#N)C1 ZINC001141897252 804677998 /nfs/dbraw/zinc/67/79/98/804677998.db2.gz LMEHAPVFCPQSTD-SNVBAGLBSA-N 1 1 279.181 3.163 20 30 CGEDMO CSc1nc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)ccc1C#N ZINC001141932227 804680815 /nfs/dbraw/zinc/68/08/15/804680815.db2.gz VRRNBTQJMXWAAF-TZMCWYRMSA-N 1 1 287.432 3.297 20 30 CGEDMO CSc1nc(C[N@H+]2C[C@H](C)CC23CC3)ccc1C#N ZINC001141943812 804682072 /nfs/dbraw/zinc/68/20/72/804682072.db2.gz LZJAAWWHOIJYNW-LLVKDONJSA-N 1 1 273.405 3.050 20 30 CGEDMO CC[C@@H]([NH3+])c1nc(-c2ccc(C(C)(C)C)cc2C#N)no1 ZINC001247492988 804751691 /nfs/dbraw/zinc/75/16/91/804751691.db2.gz VWUFHLCLATUKBN-CYBMUJFWSA-N 1 1 284.363 3.316 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1cnn(C(=O)OC(C)(C)C)c1 ZINC001142802263 804771539 /nfs/dbraw/zinc/77/15/39/804771539.db2.gz XFSLQMCPUXBKDS-UHFFFAOYSA-N 1 1 279.384 3.064 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cnn(C(=O)OC(C)(C)C)c1 ZINC001142802263 804771542 /nfs/dbraw/zinc/77/15/42/804771542.db2.gz XFSLQMCPUXBKDS-UHFFFAOYSA-N 1 1 279.384 3.064 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH3+])c1nc(-c2cc(F)c(Cl)c(F)c2)no1 ZINC001247621037 804781927 /nfs/dbraw/zinc/78/19/27/804781927.db2.gz DZEKDEQRPSMZQJ-FUXBKTLASA-N 1 1 297.692 3.028 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)CC[C@@]1(C)O ZINC001142912116 804783593 /nfs/dbraw/zinc/78/35/93/804783593.db2.gz VIQMZKUIEWIIAJ-SCLBCKFNSA-N 1 1 297.402 3.022 20 30 CGEDMO C[N@@H+](CCc1cccnc1)Cc1c[nH]c2cc(C#N)ccc12 ZINC001142921430 804784596 /nfs/dbraw/zinc/78/45/96/804784596.db2.gz MOQXZUUHSUXKDY-UHFFFAOYSA-N 1 1 290.370 3.109 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cc(OC)ccc2Cl)no1 ZINC001247622960 804784805 /nfs/dbraw/zinc/78/48/05/804784805.db2.gz SXXZXDAASJMGAS-GFCCVEGCSA-N 1 1 293.754 3.365 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cccc3cnccc32)no1 ZINC001247622937 804784994 /nfs/dbraw/zinc/78/49/94/804784994.db2.gz SMLJXLRXIFEHHC-CQSZACIVSA-N 1 1 280.331 3.251 20 30 CGEDMO Cc1cc(CC#N)ccc1NCC[C@@H]1CCC[N@H+](C)C1 ZINC001165290412 806989508 /nfs/dbraw/zinc/98/95/08/806989508.db2.gz SXUDYLGUZCKLCY-INIZCTEOSA-N 1 1 271.408 3.205 20 30 CGEDMO C[N@H+]1CCC[C@H](CCNc2cccc3[nH]cc(CC#N)c32)C1 ZINC001165290247 806989547 /nfs/dbraw/zinc/98/95/47/806989547.db2.gz RECRIYOKZPGXGP-CQSZACIVSA-N 1 1 296.418 3.378 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(Cl)cc1OC(F)(F)F ZINC001143432834 804852406 /nfs/dbraw/zinc/85/24/06/804852406.db2.gz IETFADSBPWNKSB-UHFFFAOYSA-N 1 1 277.673 3.304 20 30 CGEDMO C#CC[N@@H+](C)Cc1ccc(Cl)cc1OC(F)(F)F ZINC001143432834 804852402 /nfs/dbraw/zinc/85/24/02/804852402.db2.gz IETFADSBPWNKSB-UHFFFAOYSA-N 1 1 277.673 3.304 20 30 CGEDMO Cc1cc(C[N@@H+]2CCC[C@@H](C#N)CC2)cc(F)c1F ZINC001143606456 804873181 /nfs/dbraw/zinc/87/31/81/804873181.db2.gz CHBGSCFDWUDRCL-GFCCVEGCSA-N 1 1 264.319 3.399 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@@H](C#N)CC2)cc(F)c1F ZINC001143606456 804873187 /nfs/dbraw/zinc/87/31/87/804873187.db2.gz CHBGSCFDWUDRCL-GFCCVEGCSA-N 1 1 264.319 3.399 20 30 CGEDMO Cc1c(F)cc(F)cc1C[NH+]1CCC(C)(C#N)CC1 ZINC001143767735 804892833 /nfs/dbraw/zinc/89/28/33/804892833.db2.gz JQYFJZRXKZGJSQ-UHFFFAOYSA-N 1 1 264.319 3.399 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(OC)c(F)c1F ZINC001143915077 804905935 /nfs/dbraw/zinc/90/59/35/804905935.db2.gz TWRRGQAFHUAMDU-UHFFFAOYSA-N 1 1 255.308 3.371 20 30 CGEDMO C[C@@H]1C[C@H](O)CC[N@H+]1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257019225 807030062 /nfs/dbraw/zinc/03/00/62/807030062.db2.gz KRRAZQWTNGARBW-YOODTLSXSA-N 1 1 298.430 3.430 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC001144079837 804934353 /nfs/dbraw/zinc/93/43/53/804934353.db2.gz KPOQHRZITHKQOV-INIZCTEOSA-N 1 1 277.371 3.018 20 30 CGEDMO C=CC[N@@H+](Cc1cncc(C#N)c1)C1CCCCC1 ZINC001144084817 804935610 /nfs/dbraw/zinc/93/56/10/804935610.db2.gz NVNCUAXBWKBFQB-UHFFFAOYSA-N 1 1 255.365 3.274 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CC[C@H](COCC2CC2)C1 ZINC001248752478 804983652 /nfs/dbraw/zinc/98/36/52/804983652.db2.gz MXYKIOOFSVUSLA-KRWDZBQOSA-N 1 1 298.430 3.369 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2)C1 ZINC001144488404 804994086 /nfs/dbraw/zinc/99/40/86/804994086.db2.gz GVIWEUUWFWAFKN-GFCCVEGCSA-N 1 1 263.768 3.194 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)Cc2nc3ccccc3o2)cc1 ZINC001144576276 805008035 /nfs/dbraw/zinc/00/80/35/805008035.db2.gz IPUAWAOIOWMMDD-UHFFFAOYSA-N 1 1 276.339 3.441 20 30 CGEDMO C#Cc1ccc(C[N@@H+](C)Cc2nc3ccccc3o2)cc1 ZINC001144576276 805008046 /nfs/dbraw/zinc/00/80/46/805008046.db2.gz IPUAWAOIOWMMDD-UHFFFAOYSA-N 1 1 276.339 3.441 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC[C@H](Oc3cccc(C)n3)C2)cc1 ZINC001144580777 805010908 /nfs/dbraw/zinc/01/09/08/805010908.db2.gz JFJNUNROQWZZKT-SFHVURJKSA-N 1 1 292.382 3.025 20 30 CGEDMO C=CC[N@H+](Cc1cccc(C(=O)OC)c1OC)C(C)(C)C ZINC001248927724 805045795 /nfs/dbraw/zinc/04/57/95/805045795.db2.gz QAUMRIIQYRCQGI-UHFFFAOYSA-N 1 1 291.391 3.268 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cc(C)c(C)nc2Cl)C1 ZINC001249029637 805075494 /nfs/dbraw/zinc/07/54/94/805075494.db2.gz WCFNYVBGUZVTPP-ZDUSSCGKSA-N 1 1 262.784 3.197 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(C)c(C)nc2Cl)C1 ZINC001249029637 805075507 /nfs/dbraw/zinc/07/55/07/805075507.db2.gz WCFNYVBGUZVTPP-ZDUSSCGKSA-N 1 1 262.784 3.197 20 30 CGEDMO Cc1cc(-c2noc([C@@H]([NH3+])CC3CCCC3)n2)ccc1C#N ZINC001249217402 805115402 /nfs/dbraw/zinc/11/54/02/805115402.db2.gz DXZQLGCIEOSZFT-HNNXBMFYSA-N 1 1 296.374 3.497 20 30 CGEDMO CC(C)(C)[N@@H+]1CC[C@H]1c1nc(-c2cccc(C#N)c2)no1 ZINC001249234515 805118785 /nfs/dbraw/zinc/11/87/85/805118785.db2.gz IJMCTXMZVNPFIK-ZDUSSCGKSA-N 1 1 282.347 3.154 20 30 CGEDMO CC(C)(C)[N@H+]1CC[C@H]1c1nc(-c2cccc(C#N)c2)no1 ZINC001249234515 805118789 /nfs/dbraw/zinc/11/87/89/805118789.db2.gz IJMCTXMZVNPFIK-ZDUSSCGKSA-N 1 1 282.347 3.154 20 30 CGEDMO C=C[C@@H](C)[C@@H](C)C(=O)N1CC2(C1)CC[N@H+](CCCCC)C2 ZINC001148095213 805161972 /nfs/dbraw/zinc/16/19/72/805161972.db2.gz DXAWUKUQXIMHNI-HZPDHXFCSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)CCCC(C)C)C2)C1 ZINC001148327223 805176188 /nfs/dbraw/zinc/17/61/88/805176188.db2.gz CAFBVDAGWKWZNN-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO CCCCCCCNC(=S)Nc1cc[nH+]c(N(C)C)c1 ZINC001249630843 805193684 /nfs/dbraw/zinc/19/36/84/805193684.db2.gz JWZSBXRIACYGMF-UHFFFAOYSA-N 1 1 294.468 3.404 20 30 CGEDMO CCCCCCCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001151103129 805282678 /nfs/dbraw/zinc/28/26/78/805282678.db2.gz LSBCVBQMDJSSBK-UHFFFAOYSA-N 1 1 279.428 3.483 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)/C=C\c1ccco1 ZINC001151605996 805300922 /nfs/dbraw/zinc/30/09/22/805300922.db2.gz SKGAWTQHCBWYDK-JQPIKURYSA-N 1 1 290.407 3.086 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(C)s1 ZINC001151631789 805303681 /nfs/dbraw/zinc/30/36/81/805303681.db2.gz OYRKVEMAJATVPV-GFCCVEGCSA-N 1 1 280.437 3.073 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](CC)CCCC ZINC001152083605 805334372 /nfs/dbraw/zinc/33/43/72/805334372.db2.gz QXCDBXKBEBCCPA-HUUCEWRRSA-N 1 1 268.445 3.215 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)C=C1CCCCC1 ZINC001152204167 805338530 /nfs/dbraw/zinc/33/85/30/805338530.db2.gz BHDDMOKUWQJKHT-OAHLLOKOSA-N 1 1 278.440 3.280 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)CCC ZINC001152455176 805348743 /nfs/dbraw/zinc/34/87/43/805348743.db2.gz SJMFHNHFRUJNGE-DGCLKSJQSA-N 1 1 274.836 3.002 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)CCC ZINC001152455176 805348752 /nfs/dbraw/zinc/34/87/52/805348752.db2.gz SJMFHNHFRUJNGE-DGCLKSJQSA-N 1 1 274.836 3.002 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)c1cc(C)c(C)o1 ZINC001152763841 805366710 /nfs/dbraw/zinc/36/67/10/805366710.db2.gz RYRXQDHCXJSSAT-GFCCVEGCSA-N 1 1 298.814 3.089 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)c1cc(C)c(C)o1 ZINC001152763841 805366718 /nfs/dbraw/zinc/36/67/18/805366718.db2.gz RYRXQDHCXJSSAT-GFCCVEGCSA-N 1 1 298.814 3.089 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)CCCC ZINC001153103237 805383169 /nfs/dbraw/zinc/38/31/69/805383169.db2.gz XGQNVFXSVNEOAM-LSDHHAIUSA-N 1 1 268.445 3.215 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)CNC(=O)CCCCC(C)(C)C ZINC001153580980 805404719 /nfs/dbraw/zinc/40/47/19/805404719.db2.gz POKDONALVCIWKJ-OAHLLOKOSA-N 1 1 280.456 3.053 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)C(CC)CC ZINC001154088257 805432298 /nfs/dbraw/zinc/43/22/98/805432298.db2.gz WBGHBZWWSYLCEN-CABCVRRESA-N 1 1 282.472 3.461 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)CC/C=C/CC ZINC001154605278 805466045 /nfs/dbraw/zinc/46/60/45/805466045.db2.gz CEUMWOSRQOCRCG-AUECHBEKSA-N 1 1 280.456 3.382 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC1(C)C ZINC001154736625 805481348 /nfs/dbraw/zinc/48/13/48/805481348.db2.gz NPAHSOZBZSCAGS-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NC[C@@H](C)[N@H+](CC)CC(=C)Cl ZINC001154743313 805481453 /nfs/dbraw/zinc/48/14/53/805481453.db2.gz YRFXEXPIPASDRK-GXTWGEPZSA-N 1 1 286.847 3.168 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)CC(=C)Cl ZINC001154743313 805481456 /nfs/dbraw/zinc/48/14/56/805481456.db2.gz YRFXEXPIPASDRK-GXTWGEPZSA-N 1 1 286.847 3.168 20 30 CGEDMO N#CC1(Nc2nc(Cl)ccc2C[NH+]2CCCC2)CCC1 ZINC001154918777 805509026 /nfs/dbraw/zinc/50/90/26/805509026.db2.gz AKNPSZYMQAIMOS-UHFFFAOYSA-N 1 1 290.798 3.189 20 30 CGEDMO C=CCCC1(C(=O)NC[C@@H](C)[N@@H+](CC)CCC2CC2)CC1 ZINC001155037093 805528045 /nfs/dbraw/zinc/52/80/45/805528045.db2.gz NFANLQWTPBPJPY-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H](C)[N@@H+](CC)CC=C(C)C ZINC001155040662 805529408 /nfs/dbraw/zinc/52/94/08/805529408.db2.gz AMIRDNBOEYVNOK-WBVHZDCISA-N 1 1 280.456 3.382 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H](C)[N@@H+](CC)CC[C@@H](C)F)CCC1 ZINC001155061723 805531590 /nfs/dbraw/zinc/53/15/90/805531590.db2.gz FQDIDFLFXHQUMI-HUUCEWRRSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H](C)[N@@H+](CC)CC2CCC2)CCC1 ZINC001155061963 805531893 /nfs/dbraw/zinc/53/18/93/805531893.db2.gz ORZSBMZEBNEZLB-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)C1(C)CC(=C)C1 ZINC001155120463 805542133 /nfs/dbraw/zinc/54/21/33/805542133.db2.gz SAZDDWCUXSIJPV-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@@H]2CCO[C@H](c3ccccc3)C2)C1 ZINC001256823768 806987218 /nfs/dbraw/zinc/98/72/18/806987218.db2.gz LDNLVYPBJHAFKP-NXHRZFHOSA-N 1 1 269.388 3.252 20 30 CGEDMO CC(=O)Nc1cc[nH+]c(NC(C)(C)c2ccc(C#N)cc2)c1 ZINC001165735120 807016569 /nfs/dbraw/zinc/01/65/69/807016569.db2.gz VMQUDSOUNHPBCA-UHFFFAOYSA-N 1 1 294.358 3.259 20 30 CGEDMO COc1ccc2cc[nH+]c(N3CCC[C@@H](CC#N)C3)c2c1 ZINC001166742008 807089877 /nfs/dbraw/zinc/08/98/77/807089877.db2.gz WYJSNBRPTSFBDN-ZDUSSCGKSA-N 1 1 281.359 3.373 20 30 CGEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+]([C@H](C)CCC)C2 ZINC001257318628 807104592 /nfs/dbraw/zinc/10/45/92/807104592.db2.gz GBTGFZLJTUWRQH-BRWVUGGUSA-N 1 1 281.440 3.249 20 30 CGEDMO C=CCOC[C@]12CCCO[C@H]1CC[N@H+]([C@H](C)CCC)C2 ZINC001257318630 807104693 /nfs/dbraw/zinc/10/46/93/807104693.db2.gz GBTGFZLJTUWRQH-IXDOHACOSA-N 1 1 281.440 3.249 20 30 CGEDMO C#C[C@H]1CCCN(c2cc3cc(OC)ccc3c[nH+]2)C1 ZINC001167004756 807126340 /nfs/dbraw/zinc/12/63/40/807126340.db2.gz CDILXTCUQKKQHQ-ZDUSSCGKSA-N 1 1 266.344 3.093 20 30 CGEDMO CCCC[C@H](CC)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001257418468 807146247 /nfs/dbraw/zinc/14/62/47/807146247.db2.gz DKMIPSBJGNMVDG-QWHCGFSZSA-N 1 1 253.411 3.229 20 30 CGEDMO CCCCCCCCC[N@@H+](C)C[C@@H]1COCCO1 ZINC001167146850 807162306 /nfs/dbraw/zinc/16/23/06/807162306.db2.gz PWUQYZWXFGKBOP-OAHLLOKOSA-N 1 1 257.418 3.084 20 30 CGEDMO CCCCC[C@H](C)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001257513281 807188276 /nfs/dbraw/zinc/18/82/76/807188276.db2.gz SCTMOZQDQUHOAR-AAEUAGOBSA-N 1 1 253.411 3.229 20 30 CGEDMO C=CC[N@@H+](CC1CCCCC1)[C@H](C)C(=O)N(C)C(C)C ZINC001167387013 807189026 /nfs/dbraw/zinc/18/90/26/807189026.db2.gz NEJIRXISZLAXDW-OAHLLOKOSA-N 1 1 280.456 3.310 20 30 CGEDMO C[C@@H](Cc1ccc(Br)cc1)[N@H+]1CC[C@H](C#N)C1 ZINC001257563531 807198382 /nfs/dbraw/zinc/19/83/82/807198382.db2.gz GKUMRNOFJIQCAY-WCQYABFASA-N 1 1 293.208 3.226 20 30 CGEDMO C#CC[N@H+](CC#CC)CCSc1ccc(F)cc1F ZINC001167504405 807201362 /nfs/dbraw/zinc/20/13/62/807201362.db2.gz LCJJQULQMLOFJB-UHFFFAOYSA-N 1 1 279.355 3.015 20 30 CGEDMO C#CC[N@@H+](CC#CC)CCSc1ccc(F)cc1F ZINC001167504405 807201368 /nfs/dbraw/zinc/20/13/68/807201368.db2.gz LCJJQULQMLOFJB-UHFFFAOYSA-N 1 1 279.355 3.015 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)CCNC(=O)OC(C)(C)C ZINC001167558740 807207127 /nfs/dbraw/zinc/20/71/27/807207127.db2.gz RNXSUZNORRMLAE-UHFFFAOYSA-N 1 1 297.443 3.163 20 30 CGEDMO CCC(CC)C[N@H+](CCC#N)CCNC(=O)OC(C)(C)C ZINC001167558740 807207131 /nfs/dbraw/zinc/20/71/31/807207131.db2.gz RNXSUZNORRMLAE-UHFFFAOYSA-N 1 1 297.443 3.163 20 30 CGEDMO CCCNc1nc(NCc2ccccc2C#N)[nH+]cc1C ZINC001167632083 807220407 /nfs/dbraw/zinc/22/04/07/807220407.db2.gz NXWGPHAKCQWRFY-UHFFFAOYSA-N 1 1 281.363 3.091 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCC4SC(=O)C=C4C3)C[C@H](C1)C2 ZINC001257890986 807241193 /nfs/dbraw/zinc/24/11/93/807241193.db2.gz CVYIKVKIIMUHIJ-AMFJVREVSA-N 1 1 289.444 3.395 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCC[C@@H](CO)CC3)C[C@H](C1)C2 ZINC001257891801 807241426 /nfs/dbraw/zinc/24/14/26/807241426.db2.gz OVCUBSKOYOZKRS-VPSFDDGASA-N 1 1 263.425 3.216 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCCNc1cc(Cl)cnc1C#N ZINC001167752587 807242017 /nfs/dbraw/zinc/24/20/17/807242017.db2.gz GHVCPJHMPOCHJO-GFCCVEGCSA-N 1 1 292.814 3.283 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCCCC34COC4)C[C@H](C1)C2 ZINC001257893588 807244209 /nfs/dbraw/zinc/24/42/09/807244209.db2.gz SVOKVBNIKZKYMD-XYPWUTKMSA-N 1 1 261.409 3.376 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3[C@H]4CC[C@H](C4)[C@H]3C(=O)OC)C[C@H](C1)C2 ZINC001257893993 807244372 /nfs/dbraw/zinc/24/43/72/807244372.db2.gz HQQLQEICWBSKFQ-VZSUBVHGSA-N 1 1 289.419 3.147 20 30 CGEDMO CCCCCCC[C@@H](C)[NH2+][C@@H](C(=O)OC)C1CC1 ZINC001258042417 807273007 /nfs/dbraw/zinc/27/30/07/807273007.db2.gz NCFDQJBANNTHGC-TZMCWYRMSA-N 1 1 255.402 3.277 20 30 CGEDMO C=CC[C@H]([NH2+][C@H](C)C[C@@H](C)CC(C)C)C(=O)OC ZINC001258057516 807280520 /nfs/dbraw/zinc/28/05/20/807280520.db2.gz SDWTWPAVYMITKH-MJBXVCDLSA-N 1 1 255.402 3.155 20 30 CGEDMO N#Cc1ccccc1O[C@@H]1CCC[N@H+]([C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001167951889 807281579 /nfs/dbraw/zinc/28/15/79/807281579.db2.gz LSEJMQXBSQQGFL-LTIDMASMSA-N 1 1 282.387 3.200 20 30 CGEDMO C=CC[C@@H]([NH2+][C@H](C)C[C@H](C)CC(C)C)C(=O)OC ZINC001258067393 807285687 /nfs/dbraw/zinc/28/56/87/807285687.db2.gz SDWTWPAVYMITKH-MGPQQGTHSA-N 1 1 255.402 3.155 20 30 CGEDMO C[C@H](Cc1ccco1)[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001258186605 807351282 /nfs/dbraw/zinc/35/12/82/807351282.db2.gz PUIRLWFMRXWBGO-CYBMUJFWSA-N 1 1 266.344 3.141 20 30 CGEDMO CCCCCCCCC[C@H](C)[N@H+]1CC[C@@H](C(N)=O)C1 ZINC001258228531 807377657 /nfs/dbraw/zinc/37/76/57/807377657.db2.gz IGBAUFWBWANQQT-LSDHHAIUSA-N 1 1 268.445 3.323 20 30 CGEDMO C=CCc1cc(C)c[nH+]c1N[C@H]1C[C@@H](C(=O)OC)C1(C)C ZINC001168332017 807386484 /nfs/dbraw/zinc/38/64/84/807386484.db2.gz AZHKRHVQTTXEGX-KBPBESRZSA-N 1 1 288.391 3.118 20 30 CGEDMO CC1(C)CCC[C@@H]([N@H+]2CCC3SC(=O)C=C3C2)C1 ZINC001258284826 807395331 /nfs/dbraw/zinc/39/53/31/807395331.db2.gz IMMMQPHWOINEEL-CHWSQXEVSA-N 1 1 265.422 3.229 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](C[C@@H]2CCCCC2(F)F)C1 ZINC001168424919 807410506 /nfs/dbraw/zinc/41/05/06/807410506.db2.gz YLBCUWLVSTXRQG-STQMWFEESA-N 1 1 259.340 3.089 20 30 CGEDMO C[N@H+](Cc1cccnc1)Cc1cc(Cl)cc(C#N)c1 ZINC001168893787 807536737 /nfs/dbraw/zinc/53/67/37/807536737.db2.gz KQGHDAYCUDVDDX-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO C[N@@H+](Cc1cccnc1)Cc1cc(Cl)cc(C#N)c1 ZINC001168893787 807536741 /nfs/dbraw/zinc/53/67/41/807536741.db2.gz KQGHDAYCUDVDDX-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO C=CCC[C@@H](C)[NH2+]C1(C(=O)OCC)CCCCC1 ZINC001258721531 807570311 /nfs/dbraw/zinc/57/03/11/807570311.db2.gz YQIBIOWLYYNLJF-CYBMUJFWSA-N 1 1 253.386 3.197 20 30 CGEDMO CCCCCCC[C@H](CC(C)C)[NH2+][C@@](N)(CC)CO ZINC001258715941 807566670 /nfs/dbraw/zinc/56/66/70/807566670.db2.gz OQMYUIJVXVTJJI-CVEARBPZSA-N 1 1 272.477 3.409 20 30 CGEDMO C=CCC[C@@H](C)[NH+]1CCC(N)(c2ccc(OC)cc2)CC1 ZINC001258724285 807572423 /nfs/dbraw/zinc/57/24/23/807572423.db2.gz SPSOOOHMYVTYKY-OAHLLOKOSA-N 1 1 288.435 3.300 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)OC(C)(C)C ZINC001258726614 807575171 /nfs/dbraw/zinc/57/51/71/807575171.db2.gz VCYCTEVWTPQNSA-CYBMUJFWSA-N 1 1 270.417 3.140 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)c3ccccc3)C[C@H]2C1 ZINC001258729606 807576289 /nfs/dbraw/zinc/57/62/89/807576289.db2.gz WLILWQUAXJBVAS-NXHRZFHOSA-N 1 1 298.430 3.045 20 30 CGEDMO CC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C)c1cccc(C#N)c1 ZINC001169108919 807577516 /nfs/dbraw/zinc/57/75/16/807577516.db2.gz WCDVXPBEFBMRJR-XMTFNYHQSA-N 1 1 283.419 3.224 20 30 CGEDMO CC[C@@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(C#N)c1 ZINC001169108919 807577523 /nfs/dbraw/zinc/57/75/23/807577523.db2.gz WCDVXPBEFBMRJR-XMTFNYHQSA-N 1 1 283.419 3.224 20 30 CGEDMO CC[C@@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C#N)c1 ZINC001169108919 807577528 /nfs/dbraw/zinc/57/75/28/807577528.db2.gz WCDVXPBEFBMRJR-XMTFNYHQSA-N 1 1 283.419 3.224 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cn(C)nc1C(F)F ZINC001261642330 807772726 /nfs/dbraw/zinc/77/27/26/807772726.db2.gz DVSDKPSOLGKBEG-TXEJJXNPSA-N 1 1 267.323 3.041 20 30 CGEDMO C=C(CC)C[N@H+]1CCCC[C@H]1COC(=O)N1CCCC1 ZINC001170141867 807773946 /nfs/dbraw/zinc/77/39/46/807773946.db2.gz WXLMHXBPZPDBFF-HNNXBMFYSA-N 1 1 280.412 3.040 20 30 CGEDMO C=CC[C@@H](C)OC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC001262055522 807815277 /nfs/dbraw/zinc/81/52/77/807815277.db2.gz NADRPGUZLBMUBG-CQSZACIVSA-N 1 1 288.391 3.114 20 30 CGEDMO CC[N@H+](Cc1ccccc1F)C[C@@H](O)CC1(C#N)CCC1 ZINC001262077182 807817639 /nfs/dbraw/zinc/81/76/39/807817639.db2.gz VRGJXALXCLWVSP-HNNXBMFYSA-N 1 1 290.382 3.092 20 30 CGEDMO C[N@@H+](C1CCC(C#N)(c2ccccc2)CC1)C(C)(C)CN ZINC001170366967 807831013 /nfs/dbraw/zinc/83/10/13/807831013.db2.gz CCIMGLMYEQAHQS-UHFFFAOYSA-N 1 1 285.435 3.060 20 30 CGEDMO C[C@@H]1C[N@@H+](C2CCC(C#N)(c3ccccc3)CC2)C[C@H](C)O1 ZINC001170376582 807831801 /nfs/dbraw/zinc/83/18/01/807831801.db2.gz QUURNJROUPSCAE-CCZBSFLLSA-N 1 1 298.430 3.500 20 30 CGEDMO C[C@@H]1CC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C[C@@H]1O ZINC001170378704 807833100 /nfs/dbraw/zinc/83/31/00/807833100.db2.gz ISNPPRWJAKCTFA-IZIZEDOESA-N 1 1 298.430 3.093 20 30 CGEDMO CC(C)c1cc(NCC#Cc2ccccc2)nc(N(C)C)[nH+]1 ZINC001170425739 807839171 /nfs/dbraw/zinc/83/91/71/807839171.db2.gz DRVUNEKLDDLSOE-UHFFFAOYSA-N 1 1 294.402 3.130 20 30 CGEDMO Fc1cc2[nH]c[nH+]c2cc1NCC#Cc1ccccc1 ZINC001170429309 807839810 /nfs/dbraw/zinc/83/98/10/807839810.db2.gz NISBAQISPXZGRV-UHFFFAOYSA-N 1 1 265.291 3.166 20 30 CGEDMO CCCCCCCCC[N@@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC001170613964 807866871 /nfs/dbraw/zinc/86/68/71/807866871.db2.gz DREMUGFIFZSOKY-HNNXBMFYSA-N 1 1 268.445 3.290 20 30 CGEDMO COCC#CC[N@@H+](C)[C@H]1CCCC[C@H]1c1ccccc1 ZINC001171170721 807999957 /nfs/dbraw/zinc/99/99/57/807999957.db2.gz RNCIWKDCGWICMY-ROUUACIJSA-N 1 1 271.404 3.294 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001171225118 808012290 /nfs/dbraw/zinc/01/22/90/808012290.db2.gz XUHIBMLNHKWJGM-IUODEOHRSA-N 1 1 276.330 3.220 20 30 CGEDMO CCC[N@@H+]([C@@H](C)Cc1cccc(C#N)c1)C1CCOCC1 ZINC001171227870 808013942 /nfs/dbraw/zinc/01/39/42/808013942.db2.gz BPPZFLKWBHZTBH-HNNXBMFYSA-N 1 1 286.419 3.380 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@H](COCC2CC2)C1 ZINC001171230273 808014466 /nfs/dbraw/zinc/01/44/66/808014466.db2.gz UUQVCZPEXNPRLK-DNVCBOLYSA-N 1 1 298.430 3.238 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2(CC)CCCC2)[C@H]1CC ZINC001264066216 808032196 /nfs/dbraw/zinc/03/21/96/808032196.db2.gz BZUYXHZOFHTXOR-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO CC[N@@H+](CCC#N)[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171381002 808040205 /nfs/dbraw/zinc/04/02/05/808040205.db2.gz QSFWMAGLSHWBIS-ZDUSSCGKSA-N 1 1 264.319 3.058 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@H+](C/C=C/Cl)[C@@H]2C)CCC1 ZINC001264158924 808041658 /nfs/dbraw/zinc/04/16/58/808041658.db2.gz GVWCDEFJAPGYIC-RMULCIKWSA-N 1 1 296.842 3.064 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@@H+](C/C=C/Cl)[C@@H]2C)CCC1 ZINC001264158924 808041668 /nfs/dbraw/zinc/04/16/68/808041668.db2.gz GVWCDEFJAPGYIC-RMULCIKWSA-N 1 1 296.842 3.064 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC001171491035 808075316 /nfs/dbraw/zinc/07/53/16/808075316.db2.gz RQSONYVWTGKZEQ-LSDHHAIUSA-N 1 1 263.425 3.315 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)CC)[C@H]1C ZINC001264688750 808086415 /nfs/dbraw/zinc/08/64/15/808086415.db2.gz XRFDEPQIOVMGKH-OAGGEKHMSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)C[N@@H+](C)CCCNC(=O)C1CCC(C)(C)CC1 ZINC001265074666 808107531 /nfs/dbraw/zinc/10/75/31/808107531.db2.gz DJJPKVUNZDARTD-UHFFFAOYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCCC[N@H+](CC)C/C=C\Cl ZINC001265125910 808111156 /nfs/dbraw/zinc/11/11/56/808111156.db2.gz FFJUJWWWDCVMNQ-CLFYSBASSA-N 1 1 286.847 3.169 20 30 CGEDMO C=C(C)C[N@@H+](CCCNC(=O)C(C)=C1CCC1)C1CC1 ZINC001265161499 808115622 /nfs/dbraw/zinc/11/56/22/808115622.db2.gz PVAIKKXBIOFMHB-UHFFFAOYSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccoc2Cl)C1 ZINC001265281076 808125433 /nfs/dbraw/zinc/12/54/33/808125433.db2.gz HZJYCGVDRWWPLZ-VXGBXAGGSA-N 1 1 296.798 3.092 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001265285472 808125740 /nfs/dbraw/zinc/12/57/40/808125740.db2.gz AORSBKJOXNMXAB-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C=C)c2ccccc2)C1 ZINC001265317095 808130075 /nfs/dbraw/zinc/13/00/75/808130075.db2.gz JLAXMQWZDRYNEC-MSOLQXFVSA-N 1 1 298.430 3.113 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](CCN(C)Cc2ccccc2)C1 ZINC001171847826 808149028 /nfs/dbraw/zinc/14/90/28/808149028.db2.gz UNHJOCVLJCYYMO-KRWDZBQOSA-N 1 1 272.436 3.407 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@H](C(=O)OC(C)(C)C)C2CC2)C1 ZINC001171847814 808149142 /nfs/dbraw/zinc/14/91/42/808149142.db2.gz UCWYLAFUISFMOY-HIFRSBDPSA-N 1 1 279.424 3.395 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]2C[N@@H+](CC(C)C)CC[C@@H]21 ZINC001265523090 808150446 /nfs/dbraw/zinc/15/04/46/808150446.db2.gz GYNNFWUWMRUASF-IRXDYDNUSA-N 1 1 292.467 3.312 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](CC)CCCC)C1 ZINC001265575757 808155695 /nfs/dbraw/zinc/15/56/95/808155695.db2.gz LLDFGRUMSIPWGG-SJORKVTESA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](CNC(=O)C2=CCCC2)C1 ZINC001265579458 808156448 /nfs/dbraw/zinc/15/64/48/808156448.db2.gz FQRUFDRQRFAUGF-JKSUJKDBSA-N 1 1 290.451 3.280 20 30 CGEDMO CC1(C)C[C@H](NCC2(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171977502 808162941 /nfs/dbraw/zinc/16/29/41/808162941.db2.gz BLDCFFPZDNRHGH-QGZVFWFLSA-N 1 1 297.446 3.323 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172021744 808166743 /nfs/dbraw/zinc/16/67/43/808166743.db2.gz KIVGQGAEKHZOEK-OAHLLOKOSA-N 1 1 266.429 3.042 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC2CCCC2)C1 ZINC001265697619 808170405 /nfs/dbraw/zinc/17/04/05/808170405.db2.gz VAMMXLPXPWWPEN-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C=C(CC)CC)C1 ZINC001265700205 808170915 /nfs/dbraw/zinc/17/09/15/808170915.db2.gz OFPOBWDHHXJHMN-GDBMZVCRSA-N 1 1 278.440 3.136 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CC(CC)CC)C1 ZINC001265708464 808172327 /nfs/dbraw/zinc/17/23/27/808172327.db2.gz OHWXKNVSJRYCTA-DOTOQJQBSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)/C=C/C(C)(C)C ZINC001265815134 808184126 /nfs/dbraw/zinc/18/41/26/808184126.db2.gz OYCACFUIMYOKKR-RUMSDORHSA-N 1 1 280.456 3.382 20 30 CGEDMO C=CCCC[N@@H+](C)CCCNC(=O)c1sc(C)cc1C ZINC001265855193 808188484 /nfs/dbraw/zinc/18/84/84/808188484.db2.gz GMRBGKCZQQDNQU-UHFFFAOYSA-N 1 1 294.464 3.383 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@H](C)CCC)C1 ZINC001266093856 808209385 /nfs/dbraw/zinc/20/93/85/808209385.db2.gz MAVXXBUZUWYAKS-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CCC[N@H+](C)[C@H]1CCCN(C(=O)C(CCC)CCC)C1 ZINC001266107811 808212463 /nfs/dbraw/zinc/21/24/63/808212463.db2.gz JYVNWDBGIHCGHD-KRWDZBQOSA-N 1 1 292.467 3.149 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)C1CC(F)(F)C1 ZINC001172310026 808223596 /nfs/dbraw/zinc/22/35/96/808223596.db2.gz ZNLQWDGRFROEDX-NSHDSACASA-N 1 1 264.319 3.219 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCCC[C@H](F)C1 ZINC001172316948 808226489 /nfs/dbraw/zinc/22/64/89/808226489.db2.gz YXHNZKBWASXFFI-CJNGLKHVSA-N 1 1 260.356 3.313 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)C1CC(C)(C)C1 ZINC001266210506 808228925 /nfs/dbraw/zinc/22/89/25/808228925.db2.gz BMRBVNYUCMMAFR-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC[C@@H]1CN1CCCC1 ZINC001172319119 808229204 /nfs/dbraw/zinc/22/92/04/808229204.db2.gz LJQAHAIARIXUJQ-VQIMIIECSA-N 1 1 297.446 3.049 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H]1CN1CCCC1 ZINC001172319119 808229207 /nfs/dbraw/zinc/22/92/07/808229207.db2.gz LJQAHAIARIXUJQ-VQIMIIECSA-N 1 1 297.446 3.049 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@H]1CCC[N@@H+](CCC(C)C)C1 ZINC001266237236 808231836 /nfs/dbraw/zinc/23/18/36/808231836.db2.gz RQJDODDVYDSUFT-HOTGVXAUSA-N 1 1 280.456 3.215 20 30 CGEDMO CC[C@H](C)OCC[C@H](C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC001172342772 808241666 /nfs/dbraw/zinc/24/16/66/808241666.db2.gz NOQNJQCLMXJJSE-KKUMJFAQSA-N 1 1 252.402 3.206 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](C[C@H](C)CC(C)C)C2)C1 ZINC001266343171 808244749 /nfs/dbraw/zinc/24/47/49/808244749.db2.gz ZKOSYVKTZVSTCZ-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](CCCC)C(C)C)C1 ZINC001266362060 808250330 /nfs/dbraw/zinc/25/03/30/808250330.db2.gz XMEKKKFLUVWCSI-HOTGVXAUSA-N 1 1 280.456 3.215 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CCO[C@@H](CC(=O)OC)C1 ZINC001172354778 808251061 /nfs/dbraw/zinc/25/10/61/808251061.db2.gz KREYXPNDSWLXPN-HOTGVXAUSA-N 1 1 299.455 3.389 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@@]2(CCNC2=O)C1 ZINC001172355221 808251176 /nfs/dbraw/zinc/25/11/76/808251176.db2.gz AHDKNWMIITYTCH-RDJZCZTQSA-N 1 1 280.456 3.338 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CCOC[C@](C)(O)C1 ZINC001172359499 808253476 /nfs/dbraw/zinc/25/34/76/808253476.db2.gz XCTYEFFAASIHTL-JKSUJKDBSA-N 1 1 271.445 3.209 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)C1CCC(=C)CC1 ZINC001266416708 808261348 /nfs/dbraw/zinc/26/13/48/808261348.db2.gz LCENNKOAYVFUDO-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)CCCC ZINC001266461760 808270354 /nfs/dbraw/zinc/27/03/54/808270354.db2.gz VSIXMVXIKXNOTB-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001266465742 808271279 /nfs/dbraw/zinc/27/12/79/808271279.db2.gz BBFXINYMNBNPDL-GVDBMIGSSA-N 1 1 292.467 3.025 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)CC(C)(C)C ZINC001266494839 808276006 /nfs/dbraw/zinc/27/60/06/808276006.db2.gz BGRWZCFOPIHNRR-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)C2(CC)CCC2)C1 ZINC001266525565 808282692 /nfs/dbraw/zinc/28/26/92/808282692.db2.gz JRXMZTXOVIHCFX-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+](CCNC(=O)C1CCCCCC1)C1CC1 ZINC001266586314 808291906 /nfs/dbraw/zinc/29/19/06/808291906.db2.gz UGOFLLQLTRMZOR-UHFFFAOYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC(C)C)C1 ZINC001266656584 808301410 /nfs/dbraw/zinc/30/14/10/808301410.db2.gz YGTGWIIDLRJUBA-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCC[N@H+](CC(=C)Cl)C1 ZINC001266760647 808314453 /nfs/dbraw/zinc/31/44/53/808314453.db2.gz KCWQGGMXLLJGKX-HOCLYGCPSA-N 1 1 298.858 3.169 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCC[N@@H+](CC(=C)Cl)C1 ZINC001266760647 808314460 /nfs/dbraw/zinc/31/44/60/808314460.db2.gz KCWQGGMXLLJGKX-HOCLYGCPSA-N 1 1 298.858 3.169 20 30 CGEDMO CCCCC[N@H+]1CCCC[C@@H]1CNC(=O)C#CC(C)(C)C ZINC001266841991 808322598 /nfs/dbraw/zinc/32/25/98/808322598.db2.gz FWLWCFRABSQZGJ-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H]2CCCC[N@@H+]2C[C@@H](C)CC)C1 ZINC001266856426 808325758 /nfs/dbraw/zinc/32/57/58/808325758.db2.gz QUEYXGSORBVSCI-HOCLYGCPSA-N 1 1 292.467 3.360 20 30 CGEDMO C[C@@H](CCCC#N)[NH2+][C@H](CCN(C)C)c1ccccc1 ZINC001172479696 808342944 /nfs/dbraw/zinc/34/29/44/808342944.db2.gz KAHVNPNYQRGOSM-DOTOQJQBSA-N 1 1 273.424 3.351 20 30 CGEDMO CC(=O)c1ccc2c(c1)C[N@@H+]([C@H](C)CCCC#N)CC2 ZINC001172498474 808355314 /nfs/dbraw/zinc/35/53/14/808355314.db2.gz NKIAFNAGTPHXEM-CYBMUJFWSA-N 1 1 270.376 3.330 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@]2(C)C=CCC2)C1 ZINC001267109676 808360177 /nfs/dbraw/zinc/36/01/77/808360177.db2.gz XBFSFXSQQWGQCS-WMZOPIPTSA-N 1 1 290.451 3.232 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCN(Cc2ccccc2)C[C@H]1C ZINC001172507568 808363399 /nfs/dbraw/zinc/36/33/99/808363399.db2.gz WTASEISQBAHDIL-DLBZAZTESA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@@H](CCCC#N)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC001172507568 808363407 /nfs/dbraw/zinc/36/34/07/808363407.db2.gz WTASEISQBAHDIL-DLBZAZTESA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@@H](CCCC#N)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001172507568 808363415 /nfs/dbraw/zinc/36/34/15/808363415.db2.gz WTASEISQBAHDIL-DLBZAZTESA-N 1 1 285.435 3.275 20 30 CGEDMO CCCCCCC[C@H](CCC)[N@H+]1CCOC[C@H](O)C1 ZINC001172509029 808365577 /nfs/dbraw/zinc/36/55/77/808365577.db2.gz RLDYJWVKQYWOGW-JKSUJKDBSA-N 1 1 271.445 3.209 20 30 CGEDMO C[C@@H](CCCC#N)n1ccc(C[NH2+]Cc2ccccc2)n1 ZINC001172508984 808366299 /nfs/dbraw/zinc/36/62/99/808366299.db2.gz IOBAPODIDSUQEP-HNNXBMFYSA-N 1 1 282.391 3.428 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)C[C@@H](C)C1CC1 ZINC001267181759 808376471 /nfs/dbraw/zinc/37/64/71/808376471.db2.gz NGCLZWIIOGJYPA-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+](CC)CCNC(=O)C1CCCCCC1 ZINC001267238108 808390276 /nfs/dbraw/zinc/39/02/76/808390276.db2.gz HNGPFZYPLDKURY-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)c1ccsc1Cl ZINC001267250973 808395588 /nfs/dbraw/zinc/39/55/88/808395588.db2.gz QFCQODIVILLBTE-UHFFFAOYSA-N 1 1 286.828 3.029 20 30 CGEDMO C=CC[N@@H+](CC)CCNC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC001267256471 808396193 /nfs/dbraw/zinc/39/61/93/808396193.db2.gz YBYSMBALNOJLIF-ZDUSSCGKSA-N 1 1 294.826 3.068 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)C1(CC)CCCC1 ZINC001267279932 808403375 /nfs/dbraw/zinc/40/33/75/808403375.db2.gz NVWDQPRKUCRQMM-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1CNC(=O)CCCC1CCCC1 ZINC001267283184 808404113 /nfs/dbraw/zinc/40/41/13/808404113.db2.gz JPWXSAFWQZEOTP-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)C(C)C)C1 ZINC001267295607 808406722 /nfs/dbraw/zinc/40/67/22/808406722.db2.gz YTWJUAUZRRIDBH-OAHLLOKOSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)C(C)(C)C2CCC2)C1 ZINC001267297364 808406943 /nfs/dbraw/zinc/40/69/43/808406943.db2.gz ADTFFNQYSVOLJC-CYBMUJFWSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)C(C)(C)C2CCC2)C1 ZINC001267297364 808406948 /nfs/dbraw/zinc/40/69/48/808406948.db2.gz ADTFFNQYSVOLJC-CYBMUJFWSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1CC[N@H+](CC/C=C/CC)C1 ZINC001267298174 808407080 /nfs/dbraw/zinc/40/70/80/808407080.db2.gz KOWSOUVGEYYEFR-WAVCKPEOSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C(C)CC[N@@H+](CCC)CCNC(=O)C1(F)CCCCC1 ZINC001267319174 808413762 /nfs/dbraw/zinc/41/37/62/808413762.db2.gz YBRLDBWBZDTAHW-UHFFFAOYSA-N 1 1 298.446 3.453 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)[C@@H](C)c1ccccc1C ZINC001267320335 808414383 /nfs/dbraw/zinc/41/43/83/808414383.db2.gz GRMBICNNNNJBMU-INIZCTEOSA-N 1 1 288.435 3.113 20 30 CGEDMO C#CC[N@H+](CCCNC(=O)[C@@H](C)CCC(C)(C)C)C(C)C ZINC001267335224 808418200 /nfs/dbraw/zinc/41/82/00/808418200.db2.gz ZDFIVGIVLOBRBL-INIZCTEOSA-N 1 1 294.483 3.299 20 30 CGEDMO C=C(Cl)C[N@H+](CCCNC(=O)[C@H](C)CC)C(C)C ZINC001267497232 808433538 /nfs/dbraw/zinc/43/35/38/808433538.db2.gz AYCJWZWZRQPJIB-GFCCVEGCSA-N 1 1 274.836 3.002 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)c1cccc(C)c1)C(C)C ZINC001267497328 808433560 /nfs/dbraw/zinc/43/35/60/808433560.db2.gz SAHHRDRYRHTFRX-UHFFFAOYSA-N 1 1 288.435 3.401 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)c1ccc(C)s1)C(C)C ZINC001267497509 808433864 /nfs/dbraw/zinc/43/38/64/808433864.db2.gz VBADBJORACRLTR-UHFFFAOYSA-N 1 1 280.437 3.073 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)c1ccsc1C)C(C)C ZINC001267501280 808434567 /nfs/dbraw/zinc/43/45/67/808434567.db2.gz NIROITYBFDEUCW-UHFFFAOYSA-N 1 1 280.437 3.073 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)CCCC#CC)C1 ZINC001267545336 808444963 /nfs/dbraw/zinc/44/49/63/808444963.db2.gz AJYRALTZZBNVKP-QGZVFWFLSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CCCC(=O)NCC[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001267554038 808446259 /nfs/dbraw/zinc/44/62/59/808446259.db2.gz DLRSBJYFGUEDAL-KRWDZBQOSA-N 1 1 290.451 3.281 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCC[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001267565486 808447715 /nfs/dbraw/zinc/44/77/15/808447715.db2.gz NVDVXYJNBMFNJB-AEFFLSMTSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC[C@@H]1CC[N@H+](C[C@H](C)CC)C1 ZINC001267560423 808448360 /nfs/dbraw/zinc/44/83/60/808448360.db2.gz HANKUDCAUHLCBU-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)/C=C/C(C)(C)C)C1 ZINC001267580509 808451986 /nfs/dbraw/zinc/45/19/86/808451986.db2.gz XUHOTDJJIJINPZ-OWNNVSBGSA-N 1 1 298.858 3.122 20 30 CGEDMO C=C(C)CC[N@H+](C)CC1CCN(C(=O)C2(CC)CC2)CC1 ZINC001267603687 808456840 /nfs/dbraw/zinc/45/68/40/808456840.db2.gz XAGNQFMUZJJSCO-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC(C[N@H+](C)CCC)CC1 ZINC001267602817 808457560 /nfs/dbraw/zinc/45/75/60/808457560.db2.gz HPPCUBFLNWQGOO-KRWDZBQOSA-N 1 1 280.456 3.169 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)CCCCCC(C)C)C1 ZINC001267617423 808459143 /nfs/dbraw/zinc/45/91/43/808459143.db2.gz GGWPHIOGGFTLMR-QGZVFWFLSA-N 1 1 292.467 3.197 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@H]2CCc3ccc(C)cc3C2)C1 ZINC001172844924 808459408 /nfs/dbraw/zinc/45/94/08/808459408.db2.gz VWOPHKQWTHAHNN-QAPCUYQASA-N 1 1 253.389 3.198 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)CC(C)(C)CC)C1 ZINC001267653098 808466709 /nfs/dbraw/zinc/46/67/09/808466709.db2.gz LAFMKSFRJAFAEH-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)CC(C)=C(C)C)C1 ZINC001267669741 808468262 /nfs/dbraw/zinc/46/82/62/808468262.db2.gz IIPLNBYGWVXEQP-QGZVFWFLSA-N 1 1 292.467 3.479 20 30 CGEDMO C#CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCCCCC ZINC001267705318 808475194 /nfs/dbraw/zinc/47/51/94/808475194.db2.gz WCAHNCMXTQMQPI-IRXDYDNUSA-N 1 1 290.451 3.045 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172922170 808481268 /nfs/dbraw/zinc/48/12/68/808481268.db2.gz WROLDUYYIKYJKI-RHSMWYFYSA-N 1 1 298.386 3.187 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)/C(C)=C\CC)C1 ZINC001267782196 808491553 /nfs/dbraw/zinc/49/15/53/808491553.db2.gz REXKQLVUWKCDOC-YMDFIQGPSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccsc2C)C1 ZINC001267931299 808516399 /nfs/dbraw/zinc/51/63/99/808516399.db2.gz PODAGHBYKOIIIJ-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CC[N@@H+]([C@@H]1CCc2ncsc2C1)C(C)(C)C ZINC001173145923 808527101 /nfs/dbraw/zinc/52/71/01/808527101.db2.gz MZSYQJFKUNSMHY-LLVKDONJSA-N 1 1 250.411 3.287 20 30 CGEDMO CCc1ccc(C[C@H](C)[N@H+]2CCC[C@H](C#N)C2)cc1 ZINC001173242961 808549844 /nfs/dbraw/zinc/54/98/44/808549844.db2.gz JNSVZIQLXVRMSX-WMLDXEAASA-N 1 1 256.393 3.416 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)[C@H]1CCCC[C@H]1CC ZINC001268254221 808569598 /nfs/dbraw/zinc/56/95/98/808569598.db2.gz MFEQYVFWLSDSMD-CVEARBPZSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCCCC[NH+]1CC(NC(=O)C=C2CCCCC2)C1 ZINC001268250151 808570293 /nfs/dbraw/zinc/57/02/93/808570293.db2.gz KODZZUZSDYOOTI-UHFFFAOYSA-N 1 1 290.451 3.424 20 30 CGEDMO CC[C@H]1CC[C@@H]([N@H+]2CCCN(c3ccc(C#N)cn3)CC2)C1 ZINC001173286138 808587130 /nfs/dbraw/zinc/58/71/30/808587130.db2.gz FBAAQWLNPUREER-DOTOQJQBSA-N 1 1 298.434 3.044 20 30 CGEDMO C=CCOC1CCC([N@@H+]2C[C@@H](C)C[C@H]2CF)CC1 ZINC001173320125 808610354 /nfs/dbraw/zinc/61/03/54/808610354.db2.gz BBYWKSNJAQNQEX-LQULJDIASA-N 1 1 255.377 3.180 20 30 CGEDMO C=CCOC1CCC([N@@H+](C)Cc2ccncc2)CC1 ZINC001173321725 808611676 /nfs/dbraw/zinc/61/16/76/808611676.db2.gz OIEPYBCUKUPUBU-UHFFFAOYSA-N 1 1 260.381 3.027 20 30 CGEDMO CCOC(=O)[C@H]([NH2+]C1CCC(CC#N)CC1)[C@@H](C)CC ZINC001173328742 808614754 /nfs/dbraw/zinc/61/47/54/808614754.db2.gz LXWSKTYUEKYAQJ-VXGQWTEUSA-N 1 1 280.412 3.026 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)CC1(C)CCCC1 ZINC001268728157 808617942 /nfs/dbraw/zinc/61/79/42/808617942.db2.gz AVKPTAKSXVFQQF-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO CCOC(=O)[C@@H]1CCCC[N@H+](C2CCC(CC#N)CC2)C1 ZINC001173337683 808619019 /nfs/dbraw/zinc/61/90/19/808619019.db2.gz RLXXHKFQLSCWII-HWOWSKLDSA-N 1 1 292.423 3.124 20 30 CGEDMO CCCCCCCCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC ZINC001268984077 808640101 /nfs/dbraw/zinc/64/01/01/808640101.db2.gz RGNPSGWNFDXYMO-HOTGVXAUSA-N 1 1 280.456 3.432 20 30 CGEDMO COC(=O)[C@H]([NH2+]C1CCC(C)(C#N)CC1)C1CCCCC1 ZINC001173589805 808647729 /nfs/dbraw/zinc/64/77/29/808647729.db2.gz LLCUTWNPFBKUFS-ISXOHVOVSA-N 1 1 292.423 3.170 20 30 CGEDMO CC[N@@H+](Cc1ccncc1)C1CCC(C)(C#N)CC1 ZINC001173592621 808648806 /nfs/dbraw/zinc/64/88/06/808648806.db2.gz WJAOGIYSOKEQIJ-UHFFFAOYSA-N 1 1 257.381 3.376 20 30 CGEDMO CO[C@@H]1CCC[C@@H]2C[N@H+](C3CCC(C)(C#N)CC3)C[C@@H]21 ZINC001173596286 808649960 /nfs/dbraw/zinc/64/99/60/808649960.db2.gz QMENKELSEBPJOG-SFOJROILSA-N 1 1 276.424 3.206 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@H+](CCCCCC)C1 ZINC001269166133 808651668 /nfs/dbraw/zinc/65/16/68/808651668.db2.gz SHOVQWRZXXINLA-NVXWUHKLSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@@H]1CC[N@H+]1CCC(C)(C)C ZINC001269278996 808663894 /nfs/dbraw/zinc/66/38/94/808663894.db2.gz SUUHCHKDXVGALT-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](CC)CCCCC)C1 ZINC001269296803 808665090 /nfs/dbraw/zinc/66/50/90/808665090.db2.gz RKWNCWWAOJEVAT-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC1(C(=O)N(C)[C@H]2CC[N@H+](CCF)C2)CCCCC1 ZINC001269295252 808666040 /nfs/dbraw/zinc/66/60/40/808666040.db2.gz BCFIXRMXFBWIGI-HNNXBMFYSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC1(C(=O)N(C)[C@H]2CC[N@@H+](CCF)C2)CCCCC1 ZINC001269295252 808666045 /nfs/dbraw/zinc/66/60/45/808666045.db2.gz BCFIXRMXFBWIGI-HNNXBMFYSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@@]2(CC[N@H+](CC(C)C)C2)C1 ZINC001269742630 808702708 /nfs/dbraw/zinc/70/27/08/808702708.db2.gz UWZSRFFIZFELKW-GOSISDBHSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccoc2CC)C1 ZINC001270576394 808737093 /nfs/dbraw/zinc/73/70/93/808737093.db2.gz KYZQMYDMTHZHGX-QGZVFWFLSA-N 1 1 290.407 3.002 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)CCCC2CC2)C1 ZINC001270616601 808740082 /nfs/dbraw/zinc/74/00/82/808740082.db2.gz WLODQYHSJLIDSM-KRWDZBQOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)CCC2(C)CC2)C1 ZINC001270643372 808740822 /nfs/dbraw/zinc/74/08/22/808740822.db2.gz WWNIQFSXFNHUTM-KRWDZBQOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)CCN(C)C(=O)/C=C(\C)CC ZINC001272004657 808791597 /nfs/dbraw/zinc/79/15/97/808791597.db2.gz KIWDRIMBJQIKAM-BUYIWHAFSA-N 1 1 266.429 3.088 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2CN(C(=O)CCCC(C)C)CC[C@@H]21 ZINC001272222910 808801772 /nfs/dbraw/zinc/80/17/72/808801772.db2.gz AVHHBYKMBCZTIL-IRXDYDNUSA-N 1 1 292.467 3.312 20 30 CGEDMO CCCCCCC[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001272293672 808803899 /nfs/dbraw/zinc/80/38/99/808803899.db2.gz MWNAMRCLGTXZDF-OAGGEKHMSA-N 1 1 280.456 3.288 20 30 CGEDMO C=CCCCCCC[N@@H+]1CCC[C@]2(CCN(C)C2=O)CC1 ZINC001272706990 808821585 /nfs/dbraw/zinc/82/15/85/808821585.db2.gz LLUFDUQXBLECFV-SFHVURJKSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCN1CC[C@@]2(CCC[N@H+]2CCC2CCCCC2)C1=O ZINC001272862420 808825906 /nfs/dbraw/zinc/82/59/06/808825906.db2.gz KFJOPELWVROFCQ-SFHVURJKSA-N 1 1 290.451 3.210 20 30 CGEDMO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(C)c1 ZINC001272908217 808827177 /nfs/dbraw/zinc/82/71/77/808827177.db2.gz XNGKPZZFTWRYQN-IBGZPJMESA-N 1 1 298.430 3.138 20 30 CGEDMO N#Cc1cc(F)cc(Nc2cc[nH+]c3ccccc23)c1 ZINC001174038504 808836823 /nfs/dbraw/zinc/83/68/23/808836823.db2.gz OILBVQRGSANBDC-UHFFFAOYSA-N 1 1 263.275 3.411 20 30 CGEDMO N#CCc1ccc(Nc2cc[nH+]c3ccccc23)cc1 ZINC001174039156 808837175 /nfs/dbraw/zinc/83/71/75/808837175.db2.gz WUXLLHMPKQCLBB-UHFFFAOYSA-N 1 1 259.312 3.466 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CCC[N@H+](CC(=C)C)CC2)CCC1 ZINC001273447162 808844814 /nfs/dbraw/zinc/84/48/14/808844814.db2.gz VQLZNLLACZLCIX-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CCCC(C)C ZINC001273425240 808845241 /nfs/dbraw/zinc/84/52/41/808845241.db2.gz UDFQYTVXXRZGAK-QGZVFWFLSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CCC[N@H+](CC[C@H](C)F)CC1 ZINC001273445237 808845416 /nfs/dbraw/zinc/84/54/16/808845416.db2.gz JYEGDLBPDKNAEV-GJZGRUSLSA-N 1 1 284.419 3.062 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)c1c(C)oc(C)c1C ZINC001273535157 808852853 /nfs/dbraw/zinc/85/28/53/808852853.db2.gz UGHLSOARMBFXSQ-UHFFFAOYSA-N 1 1 292.423 3.175 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(CCC)CC2)C[C@@H]1C ZINC001274642635 808879224 /nfs/dbraw/zinc/87/92/24/808879224.db2.gz FOBGZHDWHMTLFF-KBPBESRZSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(CCC)CC2)C[C@@H]1C ZINC001274642635 808879230 /nfs/dbraw/zinc/87/92/30/808879230.db2.gz FOBGZHDWHMTLFF-KBPBESRZSA-N 1 1 298.858 3.288 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)CCCCC)C[C@@H]1C ZINC001274663031 808881470 /nfs/dbraw/zinc/88/14/70/808881470.db2.gz QUJRNGKPMNWOBA-JKSUJKDBSA-N 1 1 292.467 3.195 20 30 CGEDMO C#CCC[N@H+](CC)CC1CCN(C(=O)C[C@@H](C)CC)CC1 ZINC001274945621 808894354 /nfs/dbraw/zinc/89/43/54/808894354.db2.gz RSHCYBMMTFFPSV-INIZCTEOSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCCCCN1CC[C@H]2[C@@H]1CC[N@H+]2C1CCCC1 ZINC001274974996 808896753 /nfs/dbraw/zinc/89/67/53/808896753.db2.gz SXXHBNSUVGTCCV-IRXDYDNUSA-N 1 1 262.441 3.434 20 30 CGEDMO C=Cc1ccc(C(=O)N2CCC[C@H]2C[N@H+](C)CC(=C)C)cc1 ZINC001275143590 808915271 /nfs/dbraw/zinc/91/52/71/808915271.db2.gz OOXFULWXVNITCT-SFHVURJKSA-N 1 1 298.430 3.442 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)c1csc(Cl)c1 ZINC001275151280 808916972 /nfs/dbraw/zinc/91/69/72/808916972.db2.gz ZACMONXUWOGPKE-GFCCVEGCSA-N 1 1 298.839 3.124 20 30 CGEDMO C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C)CCC(C)(C)C ZINC001275159730 808917272 /nfs/dbraw/zinc/91/72/72/808917272.db2.gz GEYAIWKTSYMYAJ-HOTGVXAUSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(CC)CC ZINC001275167080 808919190 /nfs/dbraw/zinc/91/91/90/808919190.db2.gz LPEXZZXXNJVNOT-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)Cc1ccc(C)s1 ZINC001275729813 808961869 /nfs/dbraw/zinc/96/18/69/808961869.db2.gz POAUFZDSVLHXEX-CYBMUJFWSA-N 1 1 294.464 3.002 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@H](C)[N@H+](C)CC/C=C\CC)C1 ZINC001275928827 808977288 /nfs/dbraw/zinc/97/72/88/808977288.db2.gz STEWJEWXNMBUSJ-LZNQSLFOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)c1cc(F)ccc1Cl ZINC001275936728 808978200 /nfs/dbraw/zinc/97/82/00/808978200.db2.gz VCTWOHPKLPTTQU-LLVKDONJSA-N 1 1 298.789 3.105 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)C1(C2CCCCC2)CC1 ZINC001275985389 808982267 /nfs/dbraw/zinc/98/22/67/808982267.db2.gz AXKVQGUQLHONIT-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC(=O)N[C@H]1C[N@H+](CC(CC)CC)CC1(C)C ZINC001276561669 809017191 /nfs/dbraw/zinc/01/71/91/809017191.db2.gz OWNLIHNTATVQHD-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CC[C@@H]2C[C@@]21C(=O)N(C)C ZINC001277167085 809060733 /nfs/dbraw/zinc/06/07/33/809060733.db2.gz GSTJQPILKAOZRP-WBVHZDCISA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCC)C1 ZINC001277284557 809067737 /nfs/dbraw/zinc/06/77/37/809067737.db2.gz LVTROCUCPUCGQQ-IRXDYDNUSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](CC)C(C)C ZINC001277359254 809071000 /nfs/dbraw/zinc/07/10/00/809071000.db2.gz BRXMGBHUQHBNAJ-BBWFWOEESA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)CC)C1CCCCCC1 ZINC001277369405 809071674 /nfs/dbraw/zinc/07/16/74/809071674.db2.gz YANWYXOJDIVKMZ-UHFFFAOYSA-N 1 1 266.429 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)C(F)=C2CCCC2)C1 ZINC001278382736 809130335 /nfs/dbraw/zinc/13/03/35/809130335.db2.gz YOCWIZLZCWAORL-QGZVFWFLSA-N 1 1 294.414 3.331 20 30 CGEDMO C#CCCCCCC(=O)N[C@]1(C)CC[N@H+](C[C@H](C)CC)C1 ZINC001278414283 809131446 /nfs/dbraw/zinc/13/14/46/809131446.db2.gz RAKDXLRGUGHFSF-SJLPKXTDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)C2(C)CCC2)C1 ZINC001278673677 809150438 /nfs/dbraw/zinc/15/04/38/809150438.db2.gz VDEKZGJZSMTZPH-KRWDZBQOSA-N 1 1 292.467 3.361 20 30 CGEDMO CC#CC[N@@H+](C)CCN(C(=O)C[C@H]1CCC[C@@H]1C)C(C)C ZINC001278907343 809155910 /nfs/dbraw/zinc/15/59/10/809155910.db2.gz BZAIBDDPKOJZPX-DLBZAZTESA-N 1 1 292.467 3.005 20 30 CGEDMO C#CCCCCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCC ZINC001279552191 809174505 /nfs/dbraw/zinc/17/45/05/809174505.db2.gz ADSJDEWQCGVNNJ-IRXDYDNUSA-N 1 1 290.451 3.045 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCC1CC1 ZINC001279577527 809174951 /nfs/dbraw/zinc/17/49/51/809174951.db2.gz SZLSYJJCHRQRGZ-DLBZAZTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NCC1=CC[N@H+](C/C=C/Cl)CC1 ZINC001279622484 809175885 /nfs/dbraw/zinc/17/58/85/809175885.db2.gz ZSMJJWXKOYOWHF-GPAKFWEMSA-N 1 1 296.842 3.090 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NCC1=CC[N@@H+](C/C=C/Cl)CC1 ZINC001279622484 809175889 /nfs/dbraw/zinc/17/58/89/809175889.db2.gz ZSMJJWXKOYOWHF-GPAKFWEMSA-N 1 1 296.842 3.090 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccoc2C)CC1 ZINC001280715266 809195998 /nfs/dbraw/zinc/19/59/98/809195998.db2.gz VPQGNYDOICDFEA-OAHLLOKOSA-N 1 1 290.407 3.139 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C2(CCF)CC2)CC1 ZINC001280743025 809196080 /nfs/dbraw/zinc/19/60/80/809196080.db2.gz DNMMUIJAGXTSQY-HNNXBMFYSA-N 1 1 296.430 3.063 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)CCCN(C)C(=O)/C(C)=C\C ZINC001280803044 809200700 /nfs/dbraw/zinc/20/07/00/809200700.db2.gz QOGOCBBSOPRZIJ-OWTLUSIOSA-N 1 1 266.429 3.088 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC(CC)CC)C2 ZINC001281100006 809206553 /nfs/dbraw/zinc/20/65/53/809206553.db2.gz KHTUQXUHAUTZQV-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CC(CC)CC)C[C@H]1C ZINC001281682968 809217820 /nfs/dbraw/zinc/21/78/20/809217820.db2.gz GJBYQXCJDJOAHG-ZBFHGGJFSA-N 1 1 280.456 3.358 20 30 CGEDMO C#CCCCCC(=O)N1CCC[C@@H]1C[N@H+](C)CCC(C)C ZINC001281931252 809223668 /nfs/dbraw/zinc/22/36/68/809223668.db2.gz YSCYHMVRKWVUMJ-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCCC)CC2)C1 ZINC001281979676 809226309 /nfs/dbraw/zinc/22/63/09/809226309.db2.gz CAEHWJPFCHJROX-QGZVFWFLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001282464601 809249632 /nfs/dbraw/zinc/24/96/32/809249632.db2.gz MNVUFAGPFFCJRM-DAYGRLMNSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)CNC(=O)C/C=C/c1ccc(C)cc1 ZINC001282504363 809253224 /nfs/dbraw/zinc/25/32/24/809253224.db2.gz OIYHIYOAYBYMOW-FYCOFBDGSA-N 1 1 286.419 3.021 20 30 CGEDMO C=CCC[N@@H+]1CCCC2(CN(C(=O)CCCC(C)C)C2)C1 ZINC001282972756 809268387 /nfs/dbraw/zinc/26/83/87/809268387.db2.gz MLAVSTJECWVICS-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO CC#CCCCC(=O)N1CCC([N@@H+](C)CC=C(C)C)CC1 ZINC001283319506 809275067 /nfs/dbraw/zinc/27/50/67/809275067.db2.gz MDKABSNTMZWWFW-UHFFFAOYSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)C2(CC)CC2)CC1 ZINC001283324752 809275218 /nfs/dbraw/zinc/27/52/18/809275218.db2.gz DMVNUKCXZJQJHY-HNNXBMFYSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@]2(NC(=O)CC3CCC3)CCC[C@H]12 ZINC001284045672 809293585 /nfs/dbraw/zinc/29/35/85/809293585.db2.gz PDWFKGLYKKFYHF-WMZOPIPTSA-N 1 1 290.451 3.256 20 30 CGEDMO C=C(C)CCC(=O)N[C@]12CCC[C@@H]1[N@@H+](CC(C)C)CC2 ZINC001284057225 809295731 /nfs/dbraw/zinc/29/57/31/809295731.db2.gz KGTZBDVUQAUUHA-RDJZCZTQSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CC=C(C)C)[C@H]1C ZINC001284128896 809297579 /nfs/dbraw/zinc/29/75/79/809297579.db2.gz DXQPKYYTMWSDSX-LSDHHAIUSA-N 1 1 278.440 3.134 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)C=C(CC)CC)C(C)C ZINC001284530883 809307387 /nfs/dbraw/zinc/30/73/87/809307387.db2.gz UFDAPBAZAMTRPA-UHFFFAOYSA-N 1 1 280.456 3.478 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)[C@H](CCC)CC(C)C)CC1 ZINC001284995829 809320881 /nfs/dbraw/zinc/32/08/81/809320881.db2.gz SRTWGTIOAMLAHC-QGZVFWFLSA-N 1 1 292.467 3.383 20 30 CGEDMO Cc1[nH+]ccn1-c1ccc(Nc2ccc(N)c(C#N)c2)cc1 ZINC001213437235 815282387 /nfs/dbraw/zinc/28/23/87/815282387.db2.gz VOOYJRILLBSJGK-UHFFFAOYSA-N 1 1 289.342 3.378 20 30 CGEDMO CCCCCCCCC[N@H+]1CCO[C@@](C)(C(=O)OCC)C1 ZINC001175524719 809442181 /nfs/dbraw/zinc/44/21/81/809442181.db2.gz WQTIYNDESGBJDJ-QGZVFWFLSA-N 1 1 299.455 3.391 20 30 CGEDMO C[N@H+]1CCC=C(Nc2c(C#N)ccc3ccccc32)C1 ZINC001175576647 809458887 /nfs/dbraw/zinc/45/88/87/809458887.db2.gz OCTOAFYVGBTORW-UHFFFAOYSA-N 1 1 263.344 3.343 20 30 CGEDMO C[N@H+]1CCC=C(Nc2ccc(OC(F)(F)F)cc2C#N)C1 ZINC001175582425 809461941 /nfs/dbraw/zinc/46/19/41/809461941.db2.gz BODREKCSEWJVAE-UHFFFAOYSA-N 1 1 297.280 3.088 20 30 CGEDMO N#Cc1cc(F)cc(Nc2c[nH+]c3ccccn23)c1 ZINC001175684029 809503331 /nfs/dbraw/zinc/50/33/31/809503331.db2.gz WHFNRAAYYJFLAO-UHFFFAOYSA-N 1 1 252.252 3.089 20 30 CGEDMO CC(C)(C#N)CC(=O)Nc1c[nH+]ccc1Nc1ccccc1 ZINC001300174212 809563347 /nfs/dbraw/zinc/56/33/47/809563347.db2.gz JIHWMQJZGSJJIP-UHFFFAOYSA-N 1 1 294.358 3.125 20 30 CGEDMO CCCCCCCC(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC001301681566 809586198 /nfs/dbraw/zinc/58/61/98/809586198.db2.gz NPXXJCHPCYODDD-UHFFFAOYSA-N 1 1 268.445 3.290 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)[C@@H]1CCCC[N@@H+]1CCC ZINC001302189485 809591670 /nfs/dbraw/zinc/59/16/70/809591670.db2.gz JVNGMCLOWOJNSG-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C[C@@H]1C[C@H](C)CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC001176252167 809654943 /nfs/dbraw/zinc/65/49/43/809654943.db2.gz DKUNZVUDBZDQKW-CHWSQXEVSA-N 1 1 287.363 3.334 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1nc2ccccc2n1C ZINC001176798778 809762061 /nfs/dbraw/zinc/76/20/61/809762061.db2.gz XVSJWJSAWVDUIM-UHFFFAOYSA-N 1 1 257.381 3.361 20 30 CGEDMO C#C[C@@H]1CCCC[N@H+]1C[C@H]1CC2(CO1)CCCCC2 ZINC001176832824 809763995 /nfs/dbraw/zinc/76/39/95/809763995.db2.gz JXVSGXVVWBBVDV-HZPDHXFCSA-N 1 1 261.409 3.214 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CCCO2)ccc1F ZINC001176925616 809769814 /nfs/dbraw/zinc/76/98/14/809769814.db2.gz CIJCCYLNKPFKGY-IRXDYDNUSA-N 1 1 288.366 3.231 20 30 CGEDMO C[C@H](CC#N)[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC001179478471 809924313 /nfs/dbraw/zinc/92/43/13/809924313.db2.gz BYJFUTTUHNVJJB-SNVBAGLBSA-N 1 1 274.755 3.122 20 30 CGEDMO Cc1ccc(C[N@H+](CCC#N)CCC(C)C)c(O)c1 ZINC001180030421 809968917 /nfs/dbraw/zinc/96/89/17/809968917.db2.gz LWPUTGOQHBPWIR-UHFFFAOYSA-N 1 1 260.381 3.462 20 30 CGEDMO CCCCCCC[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC001181133751 810039631 /nfs/dbraw/zinc/03/96/31/810039631.db2.gz ZNDXNIWXWCVYKC-GJZGRUSLSA-N 1 1 268.445 3.051 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]2C[N@H+](CCCCCC)C[C@H]21 ZINC001188086978 810452114 /nfs/dbraw/zinc/45/21/14/810452114.db2.gz JEQIFZDSJRNHCB-DLBZAZTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)c2cc(C)oc2C)C1 ZINC001188845989 810517490 /nfs/dbraw/zinc/51/74/90/810517490.db2.gz QDWCASBRXDLCTI-HNNXBMFYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)C[C@H](C)CCC)C1 ZINC001189271101 810552431 /nfs/dbraw/zinc/55/24/31/810552431.db2.gz XDFRTTUUGOQXBO-OCCSQVGLSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)C[C@H](C)CCC)C1 ZINC001189271101 810552438 /nfs/dbraw/zinc/55/24/38/810552438.db2.gz XDFRTTUUGOQXBO-OCCSQVGLSA-N 1 1 286.847 3.098 20 30 CGEDMO C=CCCC(=O)N1CC[C@@H]([N@@H+](C)CC2CCCCC2)C1 ZINC001189318383 810556763 /nfs/dbraw/zinc/55/67/63/810556763.db2.gz KYQZRIXLXYBUTF-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@]2(C)CC=CCC2)C1 ZINC001190337076 810622443 /nfs/dbraw/zinc/62/24/43/810622443.db2.gz NDLHZJGICBYYQP-WMZOPIPTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CC(C)(C)C=C)C1 ZINC001190398160 810625270 /nfs/dbraw/zinc/62/52/70/810625270.db2.gz RABJEWWTOCINCB-CVEARBPZSA-N 1 1 292.467 3.476 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CC(C)(C)C=C)C1 ZINC001190398163 810625850 /nfs/dbraw/zinc/62/58/50/810625850.db2.gz RABJEWWTOCINCB-HZPDHXFCSA-N 1 1 292.467 3.476 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001190434902 810628563 /nfs/dbraw/zinc/62/85/63/810628563.db2.gz BULNDSXVQXUTDH-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)C[Si](C)(C)c1ccccc1 ZINC001191133573 810681869 /nfs/dbraw/zinc/68/18/69/810681869.db2.gz RPKMXNUXZHNQQH-UHFFFAOYSA-N 1 1 274.484 3.013 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)CC/C=C/CC)C1 ZINC001191683896 810730279 /nfs/dbraw/zinc/73/02/79/810730279.db2.gz MTMLJCNEMVQXAF-FDMDGMSGSA-N 1 1 292.467 3.478 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2C)C1 ZINC001191771560 810738014 /nfs/dbraw/zinc/73/80/14/810738014.db2.gz KAFNKYJEUSQVRL-XHSDSOJGSA-N 1 1 280.456 3.146 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)c2cocc2C)C1 ZINC001191772459 810738950 /nfs/dbraw/zinc/73/89/50/810738950.db2.gz OYDUTZUOZNHJHM-GJZGRUSLSA-N 1 1 290.407 3.089 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[C@@H]([N@H+](C)CCCCC)C1 ZINC001191891057 810754342 /nfs/dbraw/zinc/75/43/42/810754342.db2.gz WSKFZWXNTNBUMN-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([N@H+](C)CCC(C)C)C1 ZINC001191910977 810756165 /nfs/dbraw/zinc/75/61/65/810756165.db2.gz BMCZLNBORMXSPC-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC1(C(=O)N2CC[C@@H]([N@@H+](C)CC3CCC3)C2)CC1 ZINC001192206101 810775132 /nfs/dbraw/zinc/77/51/32/810775132.db2.gz LVNCXXGRSQWHSY-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C2(C(C)C)CC2)C1 ZINC001192226588 810778122 /nfs/dbraw/zinc/77/81/22/810778122.db2.gz KITJPPJERVNBNW-JKSUJKDBSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001192239214 810780544 /nfs/dbraw/zinc/78/05/44/810780544.db2.gz SXVMGRPTLUXMGD-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)C2(CCC)CC2)C1 ZINC001192256676 810782160 /nfs/dbraw/zinc/78/21/60/810782160.db2.gz JACMKYOIKFUVIS-CVEARBPZSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C2(CCC)CC2)C1 ZINC001192266651 810782513 /nfs/dbraw/zinc/78/25/13/810782513.db2.gz HHUDCLSQTUAUFT-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC001192302060 810786820 /nfs/dbraw/zinc/78/68/20/810786820.db2.gz GDVYXHKRCJWHCI-MRXNPFEDSA-N 1 1 254.377 3.407 20 30 CGEDMO C=Cc1ccc(C(=O)N2CC[C@H]([N@@H+](C)CCC(=C)C)C2)cc1 ZINC001192464329 810800996 /nfs/dbraw/zinc/80/09/96/810800996.db2.gz JGSRBLBTYBLXBF-SFHVURJKSA-N 1 1 298.430 3.442 20 30 CGEDMO CC#CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)CCCCC)C1 ZINC001192687989 810816155 /nfs/dbraw/zinc/81/61/55/810816155.db2.gz OAOCXACCASCQLZ-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO CCCCCCC[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C)C[C@H]1C ZINC001192953965 810835089 /nfs/dbraw/zinc/83/50/89/810835089.db2.gz WZKYUIGQTDOQHW-PMPSAXMXSA-N 1 1 297.487 3.375 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@](C)(CC)CCC)C1 ZINC001193077523 810852810 /nfs/dbraw/zinc/85/28/10/810852810.db2.gz JOYKISKOIXNZNO-NVXWUHKLSA-N 1 1 280.456 3.312 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C)C(C)(C)C2)cc1 ZINC001193209859 810864170 /nfs/dbraw/zinc/86/41/70/810864170.db2.gz JPDKMFYHWMICBA-OAHLLOKOSA-N 1 1 298.430 3.365 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CCC2(C)CC2)C1 ZINC001193259067 810867091 /nfs/dbraw/zinc/86/70/91/810867091.db2.gz ZHTBQDBIFDZHMU-HZPDHXFCSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)CC(C)C)C1 ZINC001193367599 810878801 /nfs/dbraw/zinc/87/88/01/810878801.db2.gz WJGPDCMHBIAVSC-OAHLLOKOSA-N 1 1 280.456 3.168 20 30 CGEDMO C#CCC[N@H+](C)[C@@H]1CCN(C(=O)CCCCCCCC)C1 ZINC001193631496 810922821 /nfs/dbraw/zinc/92/28/21/810922821.db2.gz XRKMMDBVKBZGBN-QGZVFWFLSA-N 1 1 292.467 3.293 20 30 CGEDMO CCCCCCCOC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001194005626 811000182 /nfs/dbraw/zinc/00/01/82/811000182.db2.gz WLQDWQRZKACECJ-GJZGRUSLSA-N 1 1 282.428 3.119 20 30 CGEDMO CCCCCCCOC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC001194013359 811000962 /nfs/dbraw/zinc/00/09/62/811000962.db2.gz WJDSDNFZHCABIV-AWEZNQCLSA-N 1 1 270.417 3.025 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C=C)c2ccccc2)C1 ZINC001194183948 811029998 /nfs/dbraw/zinc/02/99/98/811029998.db2.gz WVJOHGQZGQOECZ-MSOLQXFVSA-N 1 1 298.430 3.065 20 30 CGEDMO C#CCC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)CC(C)(C)C)C1 ZINC001194190438 811032665 /nfs/dbraw/zinc/03/26/65/811032665.db2.gz DTDJCTBUMBORDH-OAHLLOKOSA-N 1 1 292.467 3.005 20 30 CGEDMO CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CCCC)C(C)C)C1 ZINC001194336234 811053066 /nfs/dbraw/zinc/05/30/66/811053066.db2.gz HNNKTSSBPRKLLQ-SJORKVTESA-N 1 1 292.467 3.005 20 30 CGEDMO C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](CCC)CC(C)C)C1 ZINC001194368693 811060627 /nfs/dbraw/zinc/06/06/27/811060627.db2.gz XLYBWOYCQPASCA-SJORKVTESA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C2CCCC2)CC1 ZINC001194612210 811095573 /nfs/dbraw/zinc/09/55/73/811095573.db2.gz HCGDYYLQUPMJEE-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCN(C(=O)CCCC)CC1 ZINC001194883042 811163186 /nfs/dbraw/zinc/16/31/86/811163186.db2.gz JYLLJILMQXGAIY-UHFFFAOYSA-N 1 1 280.456 3.457 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)/C=C(\C)C2CC2)CC1 ZINC001195017341 811185521 /nfs/dbraw/zinc/18/55/21/811185521.db2.gz XCKUXVDEFMKVQK-UTZKEFOASA-N 1 1 290.451 3.232 20 30 CGEDMO Cc1cn2cc(Nc3cc(C#N)ccc3F)ccc2[nH+]1 ZINC001214593705 815428267 /nfs/dbraw/zinc/42/82/67/815428267.db2.gz GWSMALOHLXUWSS-UHFFFAOYSA-N 1 1 266.279 3.397 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001195104716 811202155 /nfs/dbraw/zinc/20/21/55/811202155.db2.gz WWBHONOUUKKNJS-LSDHHAIUSA-N 1 1 294.439 3.284 20 30 CGEDMO C=CCCC(=O)N1CCC[N@H+](CCCC(C)(C)C)CC1 ZINC001195226288 811229534 /nfs/dbraw/zinc/22/95/34/811229534.db2.gz PRQRNZNKJQJZCZ-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCCCCC[N@@H+](C1CC1)C1(C(=O)OC)CCC1 ZINC001195394148 811251116 /nfs/dbraw/zinc/25/11/16/811251116.db2.gz VNMQGCKSQNEVOG-UHFFFAOYSA-N 1 1 265.397 3.293 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)CCC2CCC2)CC1 ZINC001195433887 811254861 /nfs/dbraw/zinc/25/48/61/811254861.db2.gz BMMDRHTUGAJLOE-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)C(F)=C2CCCC2)CC1 ZINC001195474676 811258005 /nfs/dbraw/zinc/25/80/05/811258005.db2.gz ZGCRFVSIQXTJRB-UHFFFAOYSA-N 1 1 294.414 3.285 20 30 CGEDMO CCCCCCCCCC[N@H+]1CC[C@](O)(CC#N)C1 ZINC001195509041 811265023 /nfs/dbraw/zinc/26/50/23/811265023.db2.gz RYQPLWWXMRGKMZ-MRXNPFEDSA-N 1 1 266.429 3.478 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C[C@@H](C)CC)CC1 ZINC001195666738 811275780 /nfs/dbraw/zinc/27/57/80/811275780.db2.gz CHMSLAVOHAYBDF-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)/C=C(\C)CC)CC1 ZINC001195760323 811287934 /nfs/dbraw/zinc/28/79/34/811287934.db2.gz AIQAMSUIWDAHQM-UTZKEFOASA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@@]2(C)CC=CCC2)CC1 ZINC001195934481 811303643 /nfs/dbraw/zinc/30/36/43/811303643.db2.gz BSNNFLWKSFMZSB-SFHVURJKSA-N 1 1 290.451 3.233 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC001196082967 811315571 /nfs/dbraw/zinc/31/55/71/811315571.db2.gz FTAWXKSOPLAXMW-HYVNUMGLSA-N 1 1 298.430 3.081 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CCC[N@@H+](CC=C(C)C)CC1 ZINC001196881571 811377817 /nfs/dbraw/zinc/37/78/17/811377817.db2.gz UEZOITRWHAOYLM-INIZCTEOSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C[C@@H](C=C)CC)CC1 ZINC001196890804 811379060 /nfs/dbraw/zinc/37/90/60/811379060.db2.gz XBVORCGSDDDEAK-SJORKVTESA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCN(C(=O)C[C@H]2C[C@H]2C)CC1 ZINC001197038283 811392302 /nfs/dbraw/zinc/39/23/02/811392302.db2.gz WFMDFOKFDLKHPB-IAGOWNOFSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C2(CC)CC2)CC1 ZINC001197049804 811393635 /nfs/dbraw/zinc/39/36/35/811393635.db2.gz WGRDRNOWNQKXRM-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(CC)C[N@H+](CC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001197671816 811445279 /nfs/dbraw/zinc/44/52/79/811445279.db2.gz NKVWFEXQVYNKFE-CQSZACIVSA-N 1 1 282.428 3.284 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@@H](C)C2CCCC2)CC1 ZINC001197766982 811452226 /nfs/dbraw/zinc/45/22/26/811452226.db2.gz AWESBAQBVXMNSY-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)CCCCCCCC)CC1 ZINC001197914233 811463193 /nfs/dbraw/zinc/46/31/93/811463193.db2.gz MWJQFBAWQANBGT-UHFFFAOYSA-N 1 1 280.456 3.457 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@@]1(C)Cc1cccs1 ZINC001198300190 811489628 /nfs/dbraw/zinc/48/96/28/811489628.db2.gz KOWCWBDOTWQRCR-HOCLYGCPSA-N 1 1 279.449 3.472 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)[C@@H](CCCC)C(C)C)CC1 ZINC001198282455 811490195 /nfs/dbraw/zinc/49/01/95/811490195.db2.gz ALOWCBGQSPBVIQ-INIZCTEOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[C@@H]1CCC[N@H+]1CC(=O)Nc1c(F)cccc1F ZINC001198414511 811499125 /nfs/dbraw/zinc/49/91/25/811499125.db2.gz UVSXQTWXFGYPCG-GFCCVEGCSA-N 1 1 294.345 3.334 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1CC(=O)Nc1c(F)cccc1F ZINC001198414511 811499134 /nfs/dbraw/zinc/49/91/34/811499134.db2.gz UVSXQTWXFGYPCG-GFCCVEGCSA-N 1 1 294.345 3.334 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](C(F)F)C2)s1 ZINC001232844106 818454158 /nfs/dbraw/zinc/45/41/58/818454158.db2.gz PJBWXSPWBLCBLH-VIFPVBQESA-N 1 1 256.321 3.097 20 30 CGEDMO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](C[C@@H](C)CC)CCO2 ZINC001201510148 811874763 /nfs/dbraw/zinc/87/47/63/811874763.db2.gz YJXGPIDYVZBLJV-GVDBMIGSSA-N 1 1 281.440 3.106 20 30 CGEDMO COc1ccc(C#N)cc1Nc1c(C)[nH+]c2ccccn21 ZINC001201580234 811911664 /nfs/dbraw/zinc/91/16/64/811911664.db2.gz LTQGNXDOMCUKNU-UHFFFAOYSA-N 1 1 278.315 3.267 20 30 CGEDMO C=CCN1C(=O)CC[C@@]12CCC[N@H+](CCC(C)C)CC2 ZINC001201618529 811921225 /nfs/dbraw/zinc/92/12/25/811921225.db2.gz ZJELYNZROKKWOP-QGZVFWFLSA-N 1 1 278.440 3.066 20 30 CGEDMO CCCCCCC[N@@H+]1CCO[C@@H](c2ccncc2)C1 ZINC001201797719 811966077 /nfs/dbraw/zinc/96/60/77/811966077.db2.gz DLJZWDTUTWMZPM-MRXNPFEDSA-N 1 1 262.397 3.425 20 30 CGEDMO CCCCCCC[N@H+]1CCO[C@@H](c2ccncc2)C1 ZINC001201797719 811966078 /nfs/dbraw/zinc/96/60/78/811966078.db2.gz DLJZWDTUTWMZPM-MRXNPFEDSA-N 1 1 262.397 3.425 20 30 CGEDMO CCCCCCCC[N@H+]1C[C@H]2CN(CC)C[C@H]2C1 ZINC001201839455 811969030 /nfs/dbraw/zinc/96/90/30/811969030.db2.gz DPCNCDUTVNODQY-IYBDPMFKSA-N 1 1 252.446 3.230 20 30 CGEDMO CCCCCCCC[N@@H+]1C[C@H]2CN(CC)C[C@H]2C1 ZINC001201839455 811969035 /nfs/dbraw/zinc/96/90/35/811969035.db2.gz DPCNCDUTVNODQY-IYBDPMFKSA-N 1 1 252.446 3.230 20 30 CGEDMO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001203309186 812305506 /nfs/dbraw/zinc/30/55/06/812305506.db2.gz NFVGNIOEYGXDNO-MSOLQXFVSA-N 1 1 287.403 3.013 20 30 CGEDMO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC001203309188 812306999 /nfs/dbraw/zinc/30/69/99/812306999.db2.gz NFVGNIOEYGXDNO-QZTJIDSGSA-N 1 1 287.403 3.013 20 30 CGEDMO C[N@@H+](CCC(=O)c1cccs1)Cc1cccc(C#N)c1 ZINC001203764528 812457648 /nfs/dbraw/zinc/45/76/48/812457648.db2.gz SNRJWPDEFJYYAX-UHFFFAOYSA-N 1 1 284.384 3.325 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]2Cc2ccccn2)c1 ZINC001203763068 812458591 /nfs/dbraw/zinc/45/85/91/812458591.db2.gz ZUUSSBVHIZMQKF-SFHVURJKSA-N 1 1 277.371 3.160 20 30 CGEDMO COc1ccc(C[N@H+]2CCc3ccc(C#N)cc3C2)cc1C ZINC001203895299 812484560 /nfs/dbraw/zinc/48/45/60/812484560.db2.gz QHNINOIRIWZXLZ-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001204415531 812632765 /nfs/dbraw/zinc/63/27/65/812632765.db2.gz SCOAUDZFKNFEKJ-LBPRGKRZSA-N 1 1 283.293 3.430 20 30 CGEDMO COc1ccc(SCC[N@H+](CCC#N)CC2CC2)cc1 ZINC001204497529 812657824 /nfs/dbraw/zinc/65/78/24/812657824.db2.gz QVHHRGKHDOOFHK-UHFFFAOYSA-N 1 1 290.432 3.413 20 30 CGEDMO COc1ccc(SCC[N@@H+](CCC#N)CC2CC2)cc1 ZINC001204497529 812657828 /nfs/dbraw/zinc/65/78/28/812657828.db2.gz QVHHRGKHDOOFHK-UHFFFAOYSA-N 1 1 290.432 3.413 20 30 CGEDMO Cc1cc(C#N)cc(C)c1-n1c[nH+]c2cccc(N)c21 ZINC001215646889 815551819 /nfs/dbraw/zinc/55/18/19/815551819.db2.gz MMYUGCKPURSOFJ-UHFFFAOYSA-N 1 1 262.316 3.096 20 30 CGEDMO C=C(C)COc1ccccc1CN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001205304022 812942079 /nfs/dbraw/zinc/94/20/79/812942079.db2.gz MXWQCBKLRLHYJT-RDJZCZTQSA-N 1 1 288.435 3.058 20 30 CGEDMO N#CCCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001205622048 813030068 /nfs/dbraw/zinc/03/00/68/813030068.db2.gz PFGREABGOWFKMV-GFCCVEGCSA-N 1 1 299.201 3.498 20 30 CGEDMO N#CCCO[C@@H]1CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1 ZINC001205622048 813030076 /nfs/dbraw/zinc/03/00/76/813030076.db2.gz PFGREABGOWFKMV-GFCCVEGCSA-N 1 1 299.201 3.498 20 30 CGEDMO CN(C)CC[N@H+](CC#Cc1ccccc1)CC1CCCCC1 ZINC001205670664 813047290 /nfs/dbraw/zinc/04/72/90/813047290.db2.gz GIDZXEDRHLHJLG-UHFFFAOYSA-N 1 1 298.474 3.482 20 30 CGEDMO CN(C)CC[N@@H+](CC#Cc1ccccc1)CC1CCCCC1 ZINC001205670664 813047295 /nfs/dbraw/zinc/04/72/95/813047295.db2.gz GIDZXEDRHLHJLG-UHFFFAOYSA-N 1 1 298.474 3.482 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccsc2)C1 ZINC001205884393 813118862 /nfs/dbraw/zinc/11/88/62/813118862.db2.gz XVRLPTCURYRBSH-VNHYZAJKSA-N 1 1 292.448 3.153 20 30 CGEDMO Cc1nc(C)c(C[N@@H+]2CCc3cc(C#N)ccc3C2)s1 ZINC001206151109 813215653 /nfs/dbraw/zinc/21/56/53/813215653.db2.gz MVVYJBKZOXYJRR-UHFFFAOYSA-N 1 1 283.400 3.190 20 30 CGEDMO Cc1nc(C)c(C[N@H+]2CCc3cc(C#N)ccc3C2)s1 ZINC001206151109 813215658 /nfs/dbraw/zinc/21/56/58/813215658.db2.gz MVVYJBKZOXYJRR-UHFFFAOYSA-N 1 1 283.400 3.190 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)CCCC)C1 ZINC001206162378 813219311 /nfs/dbraw/zinc/21/93/11/813219311.db2.gz XGIYQWWCZVBSQC-BZUAXINKSA-N 1 1 280.456 3.215 20 30 CGEDMO N#Cc1ccc(C[NH+]2CC(c3ccc(F)cc3)C2)c(F)c1 ZINC001206174361 813226422 /nfs/dbraw/zinc/22/64/22/813226422.db2.gz LOYDFHPSUCLKFB-UHFFFAOYSA-N 1 1 284.309 3.436 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)C(C)C)C1 ZINC001206532087 813342399 /nfs/dbraw/zinc/34/23/99/813342399.db2.gz SVJBSBCOVFIUOK-BZUAXINKSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[N@H+](CC2CCCCCC2)C[C@H]1C ZINC001206537187 813342900 /nfs/dbraw/zinc/34/29/00/813342900.db2.gz KZYAWYOCKJOQJM-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)C(C)C)C1 ZINC001206532086 813343313 /nfs/dbraw/zinc/34/33/13/813343313.db2.gz SVJBSBCOVFIUOK-ARFHVFGLSA-N 1 1 280.456 3.071 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2C[C@@H](C)OC3(CCCC3)C2)cc1 ZINC001206545156 813346315 /nfs/dbraw/zinc/34/63/15/813346315.db2.gz SBNDGLKONGSVSA-OAHLLOKOSA-N 1 1 269.388 3.201 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1Nc1ccc(C(C)(C)C#N)nc1 ZINC001206722858 813408301 /nfs/dbraw/zinc/40/83/01/813408301.db2.gz LICAXQLAPKIDJT-UHFFFAOYSA-N 1 1 295.390 3.396 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1Nc1ccc(F)c(C#N)c1 ZINC001206737649 813413533 /nfs/dbraw/zinc/41/35/33/813413533.db2.gz SZXQTTHNOKVGHN-UHFFFAOYSA-N 1 1 270.311 3.210 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1Nc1ccc(C#N)cc1 ZINC001206737091 813413717 /nfs/dbraw/zinc/41/37/17/813413717.db2.gz NWHSNHDYZLNRTQ-UHFFFAOYSA-N 1 1 252.321 3.071 20 30 CGEDMO C=C(C)COc1ccccc1CN1C[C@H](C[NH3+])CC[C@H]1C ZINC001206768724 813430409 /nfs/dbraw/zinc/43/04/09/813430409.db2.gz LVGAXQRGZJMZAT-CVEARBPZSA-N 1 1 288.435 3.201 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cc(F)ccc2N(C)C)C1 ZINC001206800736 813439742 /nfs/dbraw/zinc/43/97/42/813439742.db2.gz MCOHGYJRRWPHEX-ZDUSSCGKSA-N 1 1 262.372 3.290 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cc(-c3ccc(OC)cc3)on2)C1 ZINC001206830306 813447115 /nfs/dbraw/zinc/44/71/15/813447115.db2.gz XAEOPJOKDLCNOT-AWEZNQCLSA-N 1 1 296.370 3.195 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(-c3ccc(OC)cc3)on2)C1 ZINC001206830306 813447121 /nfs/dbraw/zinc/44/71/21/813447121.db2.gz XAEOPJOKDLCNOT-AWEZNQCLSA-N 1 1 296.370 3.195 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC2(C)C)C1 ZINC001206877501 813457181 /nfs/dbraw/zinc/45/71/81/813457181.db2.gz NQIPQNKSMHVJPW-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1C[N@H+](CCCC(C)(C)C)C[C@H]1C ZINC001206913774 813459282 /nfs/dbraw/zinc/45/92/82/813459282.db2.gz XQOVFFIYQTZWTG-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CC[N@H+](C[C@@H](C)c1cc(F)cc(F)c1)C1CSC1 ZINC001207218372 813517230 /nfs/dbraw/zinc/51/72/30/813517230.db2.gz JYLRUCVBSBZIPH-LLVKDONJSA-N 1 1 281.371 3.119 20 30 CGEDMO Cc1ccc(C[NH2+]CC#Cc2ccccc2)c(Cl)n1 ZINC001207341153 813543054 /nfs/dbraw/zinc/54/30/54/813543054.db2.gz JDRAERLDTVPTNE-UHFFFAOYSA-N 1 1 270.763 3.185 20 30 CGEDMO CC(C)(O)CCCC1=CC[C@@H](C[N@H+]2CC[C@@H](C#N)C2)CC1 ZINC001207413870 813560607 /nfs/dbraw/zinc/56/06/07/813560607.db2.gz STQKMFXGKGDTEM-SJORKVTESA-N 1 1 290.451 3.500 20 30 CGEDMO N#CCC[N@@H+](Cc1ccc(Cl)cc1)C[C@@H]1CCCOC1 ZINC001207471989 813571485 /nfs/dbraw/zinc/57/14/85/813571485.db2.gz XPDKWFGLXLUJNY-HNNXBMFYSA-N 1 1 292.810 3.482 20 30 CGEDMO N#CCC[N@H+](Cc1ccc(Cl)cc1)C[C@@H]1CCCOC1 ZINC001207471989 813571486 /nfs/dbraw/zinc/57/14/86/813571486.db2.gz XPDKWFGLXLUJNY-HNNXBMFYSA-N 1 1 292.810 3.482 20 30 CGEDMO O=C1C=C2C[N@@H+](CCCc3cccc(F)c3)CCC2S1 ZINC001207599622 813608477 /nfs/dbraw/zinc/60/84/77/813608477.db2.gz AYTDVHDIBMTFJM-OAHLLOKOSA-N 1 1 291.391 3.032 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[NH+]2CCN(C(C)C)CC2)CC1 ZINC001208170860 813723756 /nfs/dbraw/zinc/72/37/56/813723756.db2.gz UXFLOHMTAAPVII-QGZVFWFLSA-N 1 1 262.441 3.315 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+](C)CCN2CCCC2)CC1 ZINC001208176370 813727577 /nfs/dbraw/zinc/72/75/77/813727577.db2.gz CHAGUFLFBMEIGV-QGZVFWFLSA-N 1 1 262.441 3.317 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+](C)CCN2CCCC2)CC1 ZINC001208176370 813727582 /nfs/dbraw/zinc/72/75/82/813727582.db2.gz CHAGUFLFBMEIGV-QGZVFWFLSA-N 1 1 262.441 3.317 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCc3ncn(C)c3C2)CC1 ZINC001208178392 813729207 /nfs/dbraw/zinc/72/92/07/813729207.db2.gz BNAXPHHOBFBPEK-OAHLLOKOSA-N 1 1 271.408 3.081 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@H](C(=O)OCC)C2)CC1 ZINC001208177480 813729327 /nfs/dbraw/zinc/72/93/27/813729327.db2.gz TXCXHLAUEGEQKD-HZPDHXFCSA-N 1 1 277.408 3.174 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@H]2CN(C)C)CC1 ZINC001208176942 813729344 /nfs/dbraw/zinc/72/93/44/813729344.db2.gz KNDOJJZJKWMJKV-SJORKVTESA-N 1 1 262.441 3.315 20 30 CGEDMO C=C(C)[C@@H]1CC=C(CN2CCC[C@H]2C[NH+](C)C)CC1 ZINC001208176942 813729347 /nfs/dbraw/zinc/72/93/47/813729347.db2.gz KNDOJJZJKWMJKV-SJORKVTESA-N 1 1 262.441 3.315 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+](C)Cc2cncnc2)CC1 ZINC001208178515 813729699 /nfs/dbraw/zinc/72/96/99/813729699.db2.gz IGHWNKWVBHNSFJ-MRXNPFEDSA-N 1 1 257.381 3.211 20 30 CGEDMO C[NH+](C)CC1(C[N@H+](C)Cc2ccc(C#N)cc2)CCCC1 ZINC001208188874 813737717 /nfs/dbraw/zinc/73/77/17/813737717.db2.gz BNBKNFYYIXLDGU-UHFFFAOYSA-N 1 1 285.435 3.112 20 30 CGEDMO C[NH+](C)CC1(C[N@@H+](C)Cc2ccc(C#N)cc2)CCCC1 ZINC001208188874 813737721 /nfs/dbraw/zinc/73/77/21/813737721.db2.gz BNBKNFYYIXLDGU-UHFFFAOYSA-N 1 1 285.435 3.112 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCCCC)C[C@H]1C ZINC001208298358 813754224 /nfs/dbraw/zinc/75/42/24/813754224.db2.gz KZKZQLHAGYJZMM-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1C ZINC001208388956 813758189 /nfs/dbraw/zinc/75/81/89/813758189.db2.gz UNEAOIFWPDYSMU-ARFHVFGLSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCC1(C(=O)N[C@@H]2C[N@H+](CCC(=C)C)C[C@H]2C)CC1 ZINC001208515607 813764753 /nfs/dbraw/zinc/76/47/53/813764753.db2.gz WDSOZCYPUXBSOP-HZPDHXFCSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C(C)C)CC2)C1 ZINC001208550564 813766147 /nfs/dbraw/zinc/76/61/47/813766147.db2.gz NEYRBPBNZATIRF-BZUAXINKSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C(C)C[N@H+](CC)CCN(CC)C(=O)OC(C)(C)C ZINC001208578490 813767739 /nfs/dbraw/zinc/76/77/39/813767739.db2.gz ATDXUCXDRJRKOI-UHFFFAOYSA-N 1 1 270.417 3.141 20 30 CGEDMO N#C[C@@H]1CC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC001208690309 813798236 /nfs/dbraw/zinc/79/82/36/813798236.db2.gz GTUOFCQRUXVCGH-ZDUSSCGKSA-N 1 1 282.309 3.483 20 30 CGEDMO N#C[C@@H]1CC[N@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC001208690309 813798242 /nfs/dbraw/zinc/79/82/42/813798242.db2.gz GTUOFCQRUXVCGH-ZDUSSCGKSA-N 1 1 282.309 3.483 20 30 CGEDMO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](CCCC(C)C)C2 ZINC001208735575 813826055 /nfs/dbraw/zinc/82/60/55/813826055.db2.gz NJTSWHMZELDJES-IAGOWNOFSA-N 1 1 281.440 3.249 20 30 CGEDMO CN1CC[N@@H+](CCCc2cccc(C#N)c2)C2(CCCC2)C1 ZINC001208854710 813867216 /nfs/dbraw/zinc/86/72/16/813867216.db2.gz STGZZXZLWXNBHA-UHFFFAOYSA-N 1 1 297.446 3.051 20 30 CGEDMO C[N@@H+]1CCN(CCCc2cccc(C#N)c2)C2(CCCC2)C1 ZINC001208854710 813867224 /nfs/dbraw/zinc/86/72/24/813867224.db2.gz STGZZXZLWXNBHA-UHFFFAOYSA-N 1 1 297.446 3.051 20 30 CGEDMO C[N@H+]1CCN(CCCc2cccc(C#N)c2)C2(CCCC2)C1 ZINC001208854710 813867231 /nfs/dbraw/zinc/86/72/31/813867231.db2.gz STGZZXZLWXNBHA-UHFFFAOYSA-N 1 1 297.446 3.051 20 30 CGEDMO C[N@@H+]1CC=C(Nc2cccc(C(F)(F)F)c2C#N)CC1 ZINC001208856629 813868605 /nfs/dbraw/zinc/86/86/05/813868605.db2.gz HNEYLVBRTGEGEJ-UHFFFAOYSA-N 1 1 281.281 3.208 20 30 CGEDMO N#Cc1ccc(CCC[N@H+]2CC[C@]3(C2)CCCCO3)cc1 ZINC001208855645 813869657 /nfs/dbraw/zinc/86/96/57/813869657.db2.gz DOXXFGICVKXNDZ-SFHVURJKSA-N 1 1 284.403 3.136 20 30 CGEDMO CO[C@@H]1CCC[C@@H]2C[N@@H+](CCCc3ccc(C#N)cc3)C[C@@H]21 ZINC001208862210 813872011 /nfs/dbraw/zinc/87/20/11/813872011.db2.gz VFOMLVLTECMWNY-CEXWTWQISA-N 1 1 298.430 3.238 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](C[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001208951317 813906628 /nfs/dbraw/zinc/90/66/28/813906628.db2.gz BVAHJBUYMNABMZ-MJGOQNOKSA-N 1 1 297.446 3.134 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](C[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001208951317 813906636 /nfs/dbraw/zinc/90/66/36/813906636.db2.gz BVAHJBUYMNABMZ-MJGOQNOKSA-N 1 1 297.446 3.134 20 30 CGEDMO N#C[C@@H]1CCCN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208951317 813906642 /nfs/dbraw/zinc/90/66/42/813906642.db2.gz BVAHJBUYMNABMZ-MJGOQNOKSA-N 1 1 297.446 3.134 20 30 CGEDMO N#C[C@@H]1CCCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208951317 813906648 /nfs/dbraw/zinc/90/66/48/813906648.db2.gz BVAHJBUYMNABMZ-MJGOQNOKSA-N 1 1 297.446 3.134 20 30 CGEDMO N#C[C@H]1CCC[N@H+](C[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001208951315 813909162 /nfs/dbraw/zinc/90/91/62/813909162.db2.gz BVAHJBUYMNABMZ-HKUYNNGSSA-N 1 1 297.446 3.134 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](C[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001208951315 813909170 /nfs/dbraw/zinc/90/91/70/813909170.db2.gz BVAHJBUYMNABMZ-HKUYNNGSSA-N 1 1 297.446 3.134 20 30 CGEDMO N#C[C@H]1CCCN(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC001208951315 813909175 /nfs/dbraw/zinc/90/91/75/813909175.db2.gz BVAHJBUYMNABMZ-HKUYNNGSSA-N 1 1 297.446 3.134 20 30 CGEDMO N#C[C@H]1CCCN(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001208951315 813909182 /nfs/dbraw/zinc/90/91/82/813909182.db2.gz BVAHJBUYMNABMZ-HKUYNNGSSA-N 1 1 297.446 3.134 20 30 CGEDMO C=CCN(CC[N@@H+](CC)C(CC)CC)C(=O)OCC ZINC001209020074 813917120 /nfs/dbraw/zinc/91/71/20/813917120.db2.gz BFXWNADVKKBRQH-UHFFFAOYSA-N 1 1 270.417 3.141 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](Oc2cccc(C)n2)C1 ZINC001209165316 813954713 /nfs/dbraw/zinc/95/47/13/813954713.db2.gz QWSAAFPBDAPVAR-OAHLLOKOSA-N 1 1 260.381 3.199 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H](C(=O)OCc2ccccc2)C1 ZINC001209165590 813955251 /nfs/dbraw/zinc/95/52/51/813955251.db2.gz SADAALZQVCACHL-QGZVFWFLSA-N 1 1 287.403 3.408 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](Oc2cc(C)ccn2)C1 ZINC001209164422 813955604 /nfs/dbraw/zinc/95/56/04/813955604.db2.gz YMDGNQAWNTXZMU-OAHLLOKOSA-N 1 1 260.381 3.199 20 30 CGEDMO C=CCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C ZINC001209200403 813964347 /nfs/dbraw/zinc/96/43/47/813964347.db2.gz IVGGHIGMUAFWFP-KBPBESRZSA-N 1 1 280.412 3.036 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@H]2[C@@H]1CN2C(=O)OC(C)(C)C ZINC001209200830 813965394 /nfs/dbraw/zinc/96/53/94/813965394.db2.gz PIEJXFHGQVVRDI-GJZGRUSLSA-N 1 1 294.439 3.426 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@]2(C[C@@H](OCC=C)CO2)C1 ZINC001209202935 813966153 /nfs/dbraw/zinc/96/61/53/813966153.db2.gz RPRLKCRKRLCXCE-SJORKVTESA-N 1 1 279.424 3.169 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](CCc2cc(F)c(F)cc2F)C1 ZINC001209251891 813981264 /nfs/dbraw/zinc/98/12/64/813981264.db2.gz DAKKEIRWSSAAFN-LLVKDONJSA-N 1 1 282.309 3.272 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](CCc2cc(F)c(F)cc2F)C1 ZINC001209251891 813981269 /nfs/dbraw/zinc/98/12/69/813981269.db2.gz DAKKEIRWSSAAFN-LLVKDONJSA-N 1 1 282.309 3.272 20 30 CGEDMO C#CCCC[N@H+]1CCC[C@]2(C[C@H](c3ccccc3)CO2)C1 ZINC001209264135 813987928 /nfs/dbraw/zinc/98/79/28/813987928.db2.gz WKGMREHLISRAIS-OALUTQOASA-N 1 1 283.415 3.439 20 30 CGEDMO C#CCCC[N@H+]1CCC[C@@H](OCc2ccccc2)C1 ZINC001209266273 813988061 /nfs/dbraw/zinc/98/80/61/813988061.db2.gz IRUJKQHEWOFLJI-QGZVFWFLSA-N 1 1 257.377 3.081 20 30 CGEDMO C#CCCC[N@H+]1CC[C@]2(CCCN2Cc2ccccc2)C1 ZINC001209270296 813990185 /nfs/dbraw/zinc/99/01/85/813990185.db2.gz YEZKYTIYNJUPMB-LJQANCHMSA-N 1 1 282.431 3.140 20 30 CGEDMO C#CCCCN1CC[C@]2(CCC[N@@H+]2Cc2ccccc2)C1 ZINC001209270296 813990188 /nfs/dbraw/zinc/99/01/88/813990188.db2.gz YEZKYTIYNJUPMB-LJQANCHMSA-N 1 1 282.431 3.140 20 30 CGEDMO C#CCCCN1CC[C@]2(CCC[N@H+]2Cc2ccccc2)C1 ZINC001209270296 813990190 /nfs/dbraw/zinc/99/01/90/813990190.db2.gz YEZKYTIYNJUPMB-LJQANCHMSA-N 1 1 282.431 3.140 20 30 CGEDMO C[C@H]1CC(C[N@H+]2CCc3cc(C#N)ccc3C2)C[C@H](C)O1 ZINC001209384601 814008476 /nfs/dbraw/zinc/00/84/76/814008476.db2.gz NVNRKZIUZBXODP-KBPBESRZSA-N 1 1 284.403 3.120 20 30 CGEDMO C=CCCCCC[N@H+]1CCc2cc(CO)ccc2C1 ZINC001209423423 814025934 /nfs/dbraw/zinc/02/59/34/814025934.db2.gz PNUJHYFJKIMKBQ-UHFFFAOYSA-N 1 1 259.393 3.283 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@]2(CCC(=O)N2)[C@H]1CC ZINC001209423852 814026721 /nfs/dbraw/zinc/02/67/21/814026721.db2.gz FIXSUIFEHWVNPC-WBVHZDCISA-N 1 1 278.440 3.256 20 30 CGEDMO C=CCCCCCC[NH+]1CC(Oc2cccnc2)C1 ZINC001209436008 814037313 /nfs/dbraw/zinc/03/73/13/814037313.db2.gz LZVZWFHWBXJKFP-UHFFFAOYSA-N 1 1 260.381 3.281 20 30 CGEDMO C=CCCCCCC[N@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC001209440125 814038166 /nfs/dbraw/zinc/03/81/66/814038166.db2.gz BPRPWBZPHCUTMV-MRXNPFEDSA-N 1 1 250.430 3.151 20 30 CGEDMO C=CCCCCCC[N@@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC001209440125 814038174 /nfs/dbraw/zinc/03/81/74/814038174.db2.gz BPRPWBZPHCUTMV-MRXNPFEDSA-N 1 1 250.430 3.151 20 30 CGEDMO C=CCCCCCCCC[N@H+](C)[C@@H](C)C(=O)OC ZINC001209444193 814043836 /nfs/dbraw/zinc/04/38/36/814043836.db2.gz NSDHCBDPYJGEDC-AWEZNQCLSA-N 1 1 255.402 3.396 20 30 CGEDMO C=CCCCCCCCC[N@H+](C)[C@H](C)C(=O)OC ZINC001209444194 814043897 /nfs/dbraw/zinc/04/38/97/814043897.db2.gz NSDHCBDPYJGEDC-CQSZACIVSA-N 1 1 255.402 3.396 20 30 CGEDMO C=CCCCCCCCC[N@H+]1CC[C@]2(CCNC2=O)C1 ZINC001209442401 814043941 /nfs/dbraw/zinc/04/39/41/814043941.db2.gz HNYQIOVXHUQSQK-QGZVFWFLSA-N 1 1 278.440 3.115 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2c[nH]c3ccc(C)cc23)C1 ZINC001209492861 814060288 /nfs/dbraw/zinc/06/02/88/814060288.db2.gz CPJZQYMUSDJQKH-AWEZNQCLSA-N 1 1 252.361 3.322 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC(C)(C)C)C1 ZINC001209617851 814100831 /nfs/dbraw/zinc/10/08/31/814100831.db2.gz CTPTUWOAMKNSQH-DGCLKSJQSA-N 1 1 286.847 3.002 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC(C)(C)C)C1 ZINC001209617851 814100836 /nfs/dbraw/zinc/10/08/36/814100836.db2.gz CTPTUWOAMKNSQH-DGCLKSJQSA-N 1 1 286.847 3.002 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@H](C)CC)C1 ZINC001209698543 814114696 /nfs/dbraw/zinc/11/46/96/814114696.db2.gz QLUYCNSSIWKRHI-BZUAXINKSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)CC(C)C)C1 ZINC001210225090 814352121 /nfs/dbraw/zinc/35/21/21/814352121.db2.gz AZHZOXOGZGFBGA-BRWVUGGUSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)CCCCC)C1 ZINC001211211947 814850336 /nfs/dbraw/zinc/85/03/36/814850336.db2.gz MYMQIFZICZYKAQ-BZUAXINKSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CCCC)C(C)C)C1 ZINC001211393053 814887940 /nfs/dbraw/zinc/88/79/40/814887940.db2.gz ABYFGVUWXBFQRL-IXDOHACOSA-N 1 1 294.483 3.461 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nnc(Cc2cccc(Cl)c2)o1 ZINC001217757241 815955456 /nfs/dbraw/zinc/95/54/56/815955456.db2.gz HGVHQLBNTQXIQE-ZDUSSCGKSA-N 1 1 289.766 3.117 20 30 CGEDMO C=C[C@@H](CCCCCC)OCCCC[C@@H]([NH3+])C(=O)OC ZINC001217896835 815996181 /nfs/dbraw/zinc/99/61/81/815996181.db2.gz TVJVRNLMOPGZDT-LSDHHAIUSA-N 1 1 285.428 3.199 20 30 CGEDMO C=C[C@@H](CCCCC)Oc1ccc(C(=O)C[NH3+])cc1 ZINC001218211686 816129343 /nfs/dbraw/zinc/12/93/43/816129343.db2.gz BAIILQVIHBQQHI-AWEZNQCLSA-N 1 1 261.365 3.342 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C=C(C)C)[C@@H]2C1 ZINC001221240722 816306577 /nfs/dbraw/zinc/30/65/77/816306577.db2.gz YPNIDOJDGBRVOY-IAGOWNOFSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@@H](CC)CCCC)[C@@H]2C1 ZINC001221701235 816324429 /nfs/dbraw/zinc/32/44/29/816324429.db2.gz JNYZALKGPOWZMB-GVDBMIGSSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(CCCC)CC3)[C@@H]2C1 ZINC001221793211 816328582 /nfs/dbraw/zinc/32/85/82/816328582.db2.gz VUVWEIUQVWBINU-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)CC(C)C)[C@@H]2C1 ZINC001221899547 816332994 /nfs/dbraw/zinc/33/29/94/816332994.db2.gz SXFREAYOCQANRT-BRWVUGGUSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)CC(C)C)[C@@H]2C1 ZINC001221899835 816333373 /nfs/dbraw/zinc/33/33/73/816333373.db2.gz YSYCOOLFIZZVDZ-BRWVUGGUSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(CC)CC)C[C@@H]21 ZINC001222280436 816393564 /nfs/dbraw/zinc/39/35/64/816393564.db2.gz YIRVOVXTOJZJEQ-SJORKVTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)CCC3CC3)C[C@@H]21 ZINC001222463478 816450168 /nfs/dbraw/zinc/45/01/68/816450168.db2.gz OZYYCHKJRWYLCC-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]2CCN(C(=O)CC3CCC3)C[C@@H]21 ZINC001222499151 816457500 /nfs/dbraw/zinc/45/75/00/816457500.db2.gz FKYJOLPBUVZLMY-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO Cc1cc(C#N)cc(C)c1-c1ccc2[nH+]c(N)[nH]c2c1 ZINC001222663207 816494071 /nfs/dbraw/zinc/49/40/71/816494071.db2.gz MFEYGLMSQGYIFZ-UHFFFAOYSA-N 1 1 262.316 3.301 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]2CC[N@@H+](CC3CCC3)[C@H]2C1 ZINC001222790496 816518386 /nfs/dbraw/zinc/51/83/86/816518386.db2.gz ZMFSYYMJBVFBIW-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CCC)C(C)C)C[C@@H]21 ZINC001223595689 816655345 /nfs/dbraw/zinc/65/53/45/816655345.db2.gz WRQGQXHQFUNKIM-IKGGRYGDSA-N 1 1 292.467 3.168 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H](O[C@@H](C#N)c2ccccc2)C1 ZINC001223708294 816668238 /nfs/dbraw/zinc/66/82/38/816668238.db2.gz BFTTZLKPLUUUFC-CVEARBPZSA-N 1 1 258.365 3.141 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NCC1CC[NH+](CC(=C)Cl)CC1 ZINC001224187644 816751103 /nfs/dbraw/zinc/75/11/03/816751103.db2.gz WQIGICJPEXHMCR-CYBMUJFWSA-N 1 1 298.858 3.169 20 30 CGEDMO C=C[C@H](CC)CC(=O)NCC1CC[NH+](CC(=C)Cl)CC1 ZINC001224197556 816753112 /nfs/dbraw/zinc/75/31/12/816753112.db2.gz CBKAVOIFRTUMPE-CQSZACIVSA-N 1 1 298.858 3.169 20 30 CGEDMO C=CCCO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC001224334894 816780976 /nfs/dbraw/zinc/78/09/76/816780976.db2.gz HMGQFGMFUKKPLT-NVXWUHKLSA-N 1 1 259.393 3.490 20 30 CGEDMO N#CCCCCCCOC1C[NH+](Cc2ccccc2)C1 ZINC001224372449 816788666 /nfs/dbraw/zinc/78/86/66/816788666.db2.gz HSSXOJVYNWROLO-UHFFFAOYSA-N 1 1 272.392 3.361 20 30 CGEDMO C[Si](C)(C)C#CCO[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001224615026 816833396 /nfs/dbraw/zinc/83/33/96/816833396.db2.gz KMVJDVOJIWVTGD-QGZVFWFLSA-N 1 1 287.479 3.158 20 30 CGEDMO N#CCCCCCO[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001224692271 816853441 /nfs/dbraw/zinc/85/34/41/816853441.db2.gz HGLIFINWTGNJFY-QGZVFWFLSA-N 1 1 272.392 3.361 20 30 CGEDMO Cc1ccc(N2CCC[C@H](Oc3cccc(C#N)c3)C2)[nH+]c1 ZINC001225225040 816969225 /nfs/dbraw/zinc/96/92/25/816969225.db2.gz KXOZEAUAKIZRDU-KRWDZBQOSA-N 1 1 293.370 3.310 20 30 CGEDMO C[C@H](Oc1cccnc1C[NH+](C)C)c1ccccc1C#N ZINC001225282382 816993933 /nfs/dbraw/zinc/99/39/33/816993933.db2.gz RMKQOPXQAMOJPZ-ZDUSSCGKSA-N 1 1 281.359 3.155 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2Cl)C1 ZINC001225726710 817158359 /nfs/dbraw/zinc/15/83/59/817158359.db2.gz HESNOEDPBHZUDK-ZDUSSCGKSA-N 1 1 278.783 3.463 20 30 CGEDMO C=C(C)n1c2ccccc2nc1O[C@@H]1CCC[N@H+](C)CC1 ZINC001226219640 817302742 /nfs/dbraw/zinc/30/27/42/817302742.db2.gz XVXLAVOQFODLCP-CQSZACIVSA-N 1 1 285.391 3.390 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](Oc2ccc(C#N)cc2C(F)(F)F)C1 ZINC001227162784 817577611 /nfs/dbraw/zinc/57/76/11/817577611.db2.gz XFSXERAHORAATI-GFCCVEGCSA-N 1 1 298.308 3.439 20 30 CGEDMO N#Cc1cc(Cl)ccc1OC1CC[NH+](CCF)CC1 ZINC001227205831 817592450 /nfs/dbraw/zinc/59/24/50/817592450.db2.gz SXFDMRACOUJFPZ-UHFFFAOYSA-N 1 1 282.746 3.024 20 30 CGEDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1c(F)cccc1C#N)C2 ZINC001227287298 817618512 /nfs/dbraw/zinc/61/85/12/817618512.db2.gz IGFYCJJFNFDWEQ-FICVDOATSA-N 1 1 288.366 3.480 20 30 CGEDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc(C#N)ccc1O)C2 ZINC001227351742 817631339 /nfs/dbraw/zinc/63/13/39/817631339.db2.gz YNTCMIKLUINYJD-FICVDOATSA-N 1 1 286.375 3.046 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H](Oc2cccc(Cl)c2C#N)C1 ZINC001227788111 817720643 /nfs/dbraw/zinc/72/06/43/817720643.db2.gz VJZVPZPDSLYXNE-GFCCVEGCSA-N 1 1 278.783 3.463 20 30 CGEDMO C=CCCCCCCNC(=O)N(CC)[C@H]1CC[N@@H+](CC)C1 ZINC001228040151 817793302 /nfs/dbraw/zinc/79/33/02/817793302.db2.gz DIBTXBGYJMAWFQ-INIZCTEOSA-N 1 1 295.471 3.249 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](Oc2cc(Cl)ccc2C#N)C1 ZINC001228084534 817806354 /nfs/dbraw/zinc/80/63/54/817806354.db2.gz NKHGTUXGVBFBQJ-CYBMUJFWSA-N 1 1 264.756 3.073 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@H](C)C(C)C ZINC001231179926 818054247 /nfs/dbraw/zinc/05/42/47/818054247.db2.gz XTFNEZNQHMXRAO-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)c1ccc(F)cc1 ZINC001231216897 818059163 /nfs/dbraw/zinc/05/91/63/818059163.db2.gz HTJIHMUZPYGZOU-AWEZNQCLSA-N 1 1 292.398 3.232 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H](Oc2ccc3ccc(C#N)cc3n2)C1 ZINC001231366665 818085945 /nfs/dbraw/zinc/08/59/45/818085945.db2.gz GPFNQRBDMIXPEX-INIZCTEOSA-N 1 1 295.386 3.358 20 30 CGEDMO C#CC[NH+](CC#C)Cc1ccc(-c2ccc(C)o2)cc1 ZINC001231600054 818135622 /nfs/dbraw/zinc/13/56/22/818135622.db2.gz RVHXWEBWQCEKKY-UHFFFAOYSA-N 1 1 263.340 3.323 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+]1CCCC[C@@](C)(F)C1 ZINC001231616740 818138359 /nfs/dbraw/zinc/13/83/59/818138359.db2.gz IYFUQMAGTPQDJI-MRXNPFEDSA-N 1 1 276.355 3.281 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCCC[C@@](C)(F)C1 ZINC001231616740 818138362 /nfs/dbraw/zinc/13/83/62/818138362.db2.gz IYFUQMAGTPQDJI-MRXNPFEDSA-N 1 1 276.355 3.281 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCCCC12CC2 ZINC001231619441 818138550 /nfs/dbraw/zinc/13/85/50/818138550.db2.gz BAJDPFBMEXMRHE-UHFFFAOYSA-N 1 1 256.349 3.085 20 30 CGEDMO C#CC[NH+](CC#C)Cc1c(C)sc2ccccc21 ZINC001231647978 818147755 /nfs/dbraw/zinc/14/77/55/818147755.db2.gz XTXZJFUQYKNVRG-UHFFFAOYSA-N 1 1 253.370 3.278 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CCCC[C@](C)(C(=O)OCC)C2)c1 ZINC001231657298 818150504 /nfs/dbraw/zinc/15/05/04/818150504.db2.gz ILZMDCZLPOWTJX-IBGZPJMESA-N 1 1 299.414 3.223 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CC[C@@H]2COCc2ccccc2)c1 ZINC001231659021 818150560 /nfs/dbraw/zinc/15/05/60/818150560.db2.gz DHJLQFOKZQLXSS-HXUWFJFHSA-N 1 1 291.394 3.459 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccnc(C(F)F)c2)CC1 ZINC001231891120 818204187 /nfs/dbraw/zinc/20/41/87/818204187.db2.gz BQRVGIXNRBZMOP-LLVKDONJSA-N 1 1 265.307 3.145 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2ccnc(C(F)F)c2)CC1 ZINC001231891120 818204189 /nfs/dbraw/zinc/20/41/89/818204189.db2.gz BQRVGIXNRBZMOP-LLVKDONJSA-N 1 1 265.307 3.145 20 30 CGEDMO C[C@@]1(CF)CC[N@@H+](Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232112226 818257805 /nfs/dbraw/zinc/25/78/05/818257805.db2.gz RXICDHISOOBHOO-AWEZNQCLSA-N 1 1 266.747 3.393 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2nccc3ccccc32)CC1 ZINC001232248702 818291543 /nfs/dbraw/zinc/29/15/43/818291543.db2.gz VEFYDJKRMHMFIO-CQSZACIVSA-N 1 1 265.360 3.360 20 30 CGEDMO CSc1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cn1 ZINC001232333433 818319759 /nfs/dbraw/zinc/31/97/59/818319759.db2.gz RRRLEWGINPXSHJ-ZSOGYDGISA-N 1 1 273.405 3.070 20 30 CGEDMO CSc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cn1 ZINC001232333433 818319768 /nfs/dbraw/zinc/31/97/68/818319768.db2.gz RRRLEWGINPXSHJ-ZSOGYDGISA-N 1 1 273.405 3.070 20 30 CGEDMO Cc1cccc(C[NH+]2CC(CC#N)C2)c1OC(C)C ZINC001232389817 818333773 /nfs/dbraw/zinc/33/37/73/818333773.db2.gz JSYDHXAFQBPIIH-UHFFFAOYSA-N 1 1 258.365 3.128 20 30 CGEDMO C#CC1CC[NH+](Cc2ccc(C(F)(F)F)o2)CC1 ZINC001232444799 818353312 /nfs/dbraw/zinc/35/33/12/818353312.db2.gz BQHOCISHQHFKHI-UHFFFAOYSA-N 1 1 257.255 3.144 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(OCc3ccccc3)no2)C1 ZINC001232450851 818354413 /nfs/dbraw/zinc/35/44/13/818354413.db2.gz BDAWJKDMUSQRQX-HNNXBMFYSA-N 1 1 296.370 3.099 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cc(OCc3ccccc3)no2)C1 ZINC001232450851 818354423 /nfs/dbraw/zinc/35/44/23/818354423.db2.gz BDAWJKDMUSQRQX-HNNXBMFYSA-N 1 1 296.370 3.099 20 30 CGEDMO C[C@@H]1c2ccccc2CC[N@H+]1Cc1cc(C#N)ccn1 ZINC001232476002 818363617 /nfs/dbraw/zinc/36/36/17/818363617.db2.gz VKUCRMDUSGVWLZ-CYBMUJFWSA-N 1 1 263.344 3.073 20 30 CGEDMO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc(C#N)ccn1 ZINC001232476002 818363623 /nfs/dbraw/zinc/36/36/23/818363623.db2.gz VKUCRMDUSGVWLZ-CYBMUJFWSA-N 1 1 263.344 3.073 20 30 CGEDMO C[N@@H+](CCc1cccc(Cl)c1)Cc1cc(C#N)ccn1 ZINC001232478652 818363822 /nfs/dbraw/zinc/36/38/22/818363822.db2.gz JGNPKEYMYUHORY-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO N#Cc1ccnc(C[N@H+]2CC[C@@H](C3CCCCC3)C2)c1 ZINC001232478246 818364356 /nfs/dbraw/zinc/36/43/56/818364356.db2.gz IKCQAIZPIHFGHN-MRXNPFEDSA-N 1 1 269.392 3.355 20 30 CGEDMO CC[N@H+](Cc1cccc(F)c1)Cc1cc(C#N)ccn1 ZINC001232480499 818365085 /nfs/dbraw/zinc/36/50/85/818365085.db2.gz ZFJIFJVZBAOFTO-UHFFFAOYSA-N 1 1 269.323 3.114 20 30 CGEDMO CC[N@@H+](Cc1cccc(F)c1)Cc1cc(C#N)ccn1 ZINC001232480499 818365090 /nfs/dbraw/zinc/36/50/90/818365090.db2.gz ZFJIFJVZBAOFTO-UHFFFAOYSA-N 1 1 269.323 3.114 20 30 CGEDMO N#Cc1ccc([O-])c(C[N@@H+](Cc2ccccc2)C2CC2)c1 ZINC001232678487 818417996 /nfs/dbraw/zinc/41/79/96/818417996.db2.gz HFPHMWFSWADXKT-UHFFFAOYSA-N 1 1 278.355 3.428 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3ccccn3)C2)s1 ZINC001232844087 818454708 /nfs/dbraw/zinc/45/47/08/818454708.db2.gz OBFABOKSSILVMU-CYBMUJFWSA-N 1 1 283.400 3.394 20 30 CGEDMO COCC[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1C#N ZINC001232891185 818466684 /nfs/dbraw/zinc/46/66/84/818466684.db2.gz XDIQZWWCSIXUCG-INIZCTEOSA-N 1 1 276.355 3.088 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2ncoc2c1 ZINC001232942625 818478869 /nfs/dbraw/zinc/47/88/69/818478869.db2.gz DMISXPOLWAZPPH-ZSOGYDGISA-N 1 1 267.332 3.094 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCc2occc2C1 ZINC001233082362 818519026 /nfs/dbraw/zinc/51/90/26/818519026.db2.gz JZEVVGILXGBLCY-UHFFFAOYSA-N 1 1 252.317 3.018 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCc2occc2C1 ZINC001233082362 818519032 /nfs/dbraw/zinc/51/90/32/818519032.db2.gz JZEVVGILXGBLCY-UHFFFAOYSA-N 1 1 252.317 3.018 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233096532 818521796 /nfs/dbraw/zinc/52/17/96/818521796.db2.gz HXICVCOARMTMBL-GFCCVEGCSA-N 1 1 275.371 3.138 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1Cc1ccccn1 ZINC001233082856 818521882 /nfs/dbraw/zinc/52/18/82/818521882.db2.gz LJKLWPJPYYXBSZ-IBGZPJMESA-N 1 1 291.398 3.469 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1[nH]nc2cc(F)ccc21 ZINC001233125724 818526931 /nfs/dbraw/zinc/52/69/31/818526931.db2.gz DYDPJJDKGBRNAK-UHFFFAOYSA-N 1 1 261.344 3.490 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c([O-])c1 ZINC001233387454 818606227 /nfs/dbraw/zinc/60/62/27/818606227.db2.gz KFUBZXIMMCCWBH-HUUCEWRRSA-N 1 1 270.376 3.276 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)c(O)c1 ZINC001233387454 818606230 /nfs/dbraw/zinc/60/62/30/818606230.db2.gz KFUBZXIMMCCWBH-HUUCEWRRSA-N 1 1 270.376 3.276 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c(O)c1 ZINC001233387454 818606233 /nfs/dbraw/zinc/60/62/33/818606233.db2.gz KFUBZXIMMCCWBH-HUUCEWRRSA-N 1 1 270.376 3.276 20 30 CGEDMO N#Cc1ccc(C[NH+]2CCC3(CC[C@H](F)C3)CC2)c(O)c1 ZINC001233387174 818607019 /nfs/dbraw/zinc/60/70/19/818607019.db2.gz XZELFKHIVSTPCW-HNNXBMFYSA-N 1 1 288.366 3.368 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)/C(C)=C\C ZINC001233562318 818643702 /nfs/dbraw/zinc/64/37/02/818643702.db2.gz YJNPMMBEHBLAPO-PJVYJYFWSA-N 1 1 278.440 3.232 20 30 CGEDMO C#CCCCCC(=O)N(C)C[C@H]1CC[N@@H+]1CCCCCC ZINC001233799696 818706781 /nfs/dbraw/zinc/70/67/81/818706781.db2.gz AADRIRFSFVHBMX-QGZVFWFLSA-N 1 1 292.467 3.293 20 30 CGEDMO C=CCC(CC=C)C(=O)N(C)C[C@@H]1CC[N@@H+]1C[C@@H](C)CC ZINC001234509798 818869998 /nfs/dbraw/zinc/86/99/98/818869998.db2.gz PXCBOTSPWIZMRH-RDJZCZTQSA-N 1 1 292.467 3.334 20 30 CGEDMO C=CC(C)(C)CC(=O)N(C)C[C@@H]1CC[N@H+]1CCCCCF ZINC001234537719 818877391 /nfs/dbraw/zinc/87/73/91/818877391.db2.gz QHUXSYYWRWYFKP-HNNXBMFYSA-N 1 1 298.446 3.261 20 30 CGEDMO CCCCCCC[N@@H+](C)CCCNC(=O)c1cncs1 ZINC001234578911 818885094 /nfs/dbraw/zinc/88/50/94/818885094.db2.gz KYSWOYYYRGSFGB-UHFFFAOYSA-N 1 1 297.468 3.165 20 30 CGEDMO C=CCCCCCCCN1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001235009447 818978141 /nfs/dbraw/zinc/97/81/41/818978141.db2.gz ZYNSWLYGTCJGAW-GOSISDBHSA-N 1 1 294.483 3.215 20 30 CGEDMO CCc1cc(CN2CCC[C@@]3(CCC[NH2+]3)CC2)ccc1C#N ZINC001235037137 818987051 /nfs/dbraw/zinc/98/70/51/818987051.db2.gz DZIRTDZOCXHVQF-IBGZPJMESA-N 1 1 297.446 3.229 20 30 CGEDMO CCCCCCCCC[N@H+]1CCC[C@]2(CNCCO2)C1 ZINC001235115197 819009392 /nfs/dbraw/zinc/00/93/92/819009392.db2.gz PDFGNEYNEOPRBK-KRWDZBQOSA-N 1 1 282.472 3.191 20 30 CGEDMO Cc1cc(F)c(C[NH+]2CCC(S)CC2)c(F)c1 ZINC001235200398 819035089 /nfs/dbraw/zinc/03/50/89/819035089.db2.gz FMHCXVFLTHNANI-UHFFFAOYSA-N 1 1 257.349 3.167 20 30 CGEDMO C=CC(C)(C)NC(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001235238022 819044968 /nfs/dbraw/zinc/04/49/68/819044968.db2.gz UFEJUXUVXMELBD-OAHLLOKOSA-N 1 1 293.455 3.047 20 30 CGEDMO C=CC[N@@H+](Cc1cc(OC)ncc1F)C(C)(C)C ZINC001235329361 819069488 /nfs/dbraw/zinc/06/94/88/819069488.db2.gz KZCDPBDFIKGRSV-UHFFFAOYSA-N 1 1 252.333 3.016 20 30 CGEDMO C=CC[N@H+](Cc1cc(OC)ncc1F)C(C)(C)C ZINC001235329361 819069494 /nfs/dbraw/zinc/06/94/94/819069494.db2.gz KZCDPBDFIKGRSV-UHFFFAOYSA-N 1 1 252.333 3.016 20 30 CGEDMO C=CCCC(=O)NCCC[N@H+](C)[C@@H](C)c1ccccc1C ZINC001235436666 819099282 /nfs/dbraw/zinc/09/92/82/819099282.db2.gz PKVJWAZOHVHYBP-INIZCTEOSA-N 1 1 288.435 3.460 20 30 CGEDMO C=CCCC(=O)NCCC[N@H+](C)Cc1ccc(CF)cc1 ZINC001235491255 819110092 /nfs/dbraw/zinc/11/00/92/819110092.db2.gz JTTKWRDROPATND-UHFFFAOYSA-N 1 1 292.398 3.060 20 30 CGEDMO CCCC[NH+]1CCC(N(C)Cc2ccccc2CC#N)CC1 ZINC001235526467 819116381 /nfs/dbraw/zinc/11/63/81/819116381.db2.gz DJKHUQUDJSLZND-UHFFFAOYSA-N 1 1 299.462 3.449 20 30 CGEDMO CCCCCCC[N@@H+](C)CCCNC(=O)c1cscn1 ZINC001235634525 819129070 /nfs/dbraw/zinc/12/90/70/819129070.db2.gz FPYXQEUMCCYGCV-UHFFFAOYSA-N 1 1 297.468 3.165 20 30 CGEDMO CCCCCCC[N@H+](CCCOC)C1CCNCC1 ZINC001235934798 819230734 /nfs/dbraw/zinc/23/07/34/819230734.db2.gz CUKCRSKDOORWQE-UHFFFAOYSA-N 1 1 270.461 3.047 20 30 CGEDMO CCCCCCC[N@@H+](CCCOC)C1CCNCC1 ZINC001235934798 819230740 /nfs/dbraw/zinc/23/07/40/819230740.db2.gz CUKCRSKDOORWQE-UHFFFAOYSA-N 1 1 270.461 3.047 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC001236093308 819312805 /nfs/dbraw/zinc/31/28/05/819312805.db2.gz KHNDFCPIJASAAL-ZACQAIPSSA-N 1 1 260.425 3.115 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC001236093308 819312810 /nfs/dbraw/zinc/31/28/10/819312810.db2.gz KHNDFCPIJASAAL-ZACQAIPSSA-N 1 1 260.425 3.115 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(OC(F)F)cc2F)C1 ZINC001236725545 819584211 /nfs/dbraw/zinc/58/42/11/819584211.db2.gz WXXVPXLXBJYZFA-NSHDSACASA-N 1 1 283.293 3.272 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236833950 819612678 /nfs/dbraw/zinc/61/26/78/819612678.db2.gz RGUOTDFLZJTAEE-ZDUSSCGKSA-N 1 1 266.344 3.281 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236833950 819612680 /nfs/dbraw/zinc/61/26/80/819612680.db2.gz RGUOTDFLZJTAEE-ZDUSSCGKSA-N 1 1 266.344 3.281 20 30 CGEDMO COc1cccc2c(C[N@H+]3CCC[C@H](CC#N)C3)ccnc12 ZINC001237118491 819671484 /nfs/dbraw/zinc/67/14/84/819671484.db2.gz XZDXYZYRGQWKHL-CQSZACIVSA-N 1 1 295.386 3.369 20 30 CGEDMO Cc1c(F)c(F)ccc1C[NH+]1CCC(C)(C#N)CC1 ZINC001237160579 819684129 /nfs/dbraw/zinc/68/41/29/819684129.db2.gz FKWRMZYZHHZOOU-UHFFFAOYSA-N 1 1 264.319 3.399 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCNC3=CCCC[C@@H]32)c1 ZINC001237224278 819703304 /nfs/dbraw/zinc/70/33/04/819703304.db2.gz CXARGKZGLCQDFT-SFHVURJKSA-N 1 1 284.403 3.093 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCNC3=CCCC[C@@H]32)c1 ZINC001237224278 819703312 /nfs/dbraw/zinc/70/33/12/819703312.db2.gz CXARGKZGLCQDFT-SFHVURJKSA-N 1 1 284.403 3.093 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccnc(C#N)c2)Cc2ccccc21 ZINC001237459824 819756072 /nfs/dbraw/zinc/75/60/72/819756072.db2.gz WPOLKAXKCWZMOZ-CYBMUJFWSA-N 1 1 263.344 3.073 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccnc(C#N)c2)Cc2ccccc21 ZINC001237459824 819756079 /nfs/dbraw/zinc/75/60/79/819756079.db2.gz WPOLKAXKCWZMOZ-CYBMUJFWSA-N 1 1 263.344 3.073 20 30 CGEDMO Cn1cc(C[N@@H+](C)Cc2cccnc2)c2cc(C#N)ccc21 ZINC001237467401 819758790 /nfs/dbraw/zinc/75/87/90/819758790.db2.gz UTQRXKGHLSWGCF-UHFFFAOYSA-N 1 1 290.370 3.077 20 30 CGEDMO COc1c(C)cccc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001237514220 819769223 /nfs/dbraw/zinc/76/92/23/819769223.db2.gz SCWOEICZJAZLPC-MKZZRHPPSA-N 1 1 270.376 3.270 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCCCC23CC3)c(F)cc1F ZINC001237531309 819773328 /nfs/dbraw/zinc/77/33/28/819773328.db2.gz ZENUIPUGUYHJTC-UHFFFAOYSA-N 1 1 262.303 3.355 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCCCC23CC3)c(F)cc1F ZINC001237531309 819773333 /nfs/dbraw/zinc/77/33/33/819773333.db2.gz ZENUIPUGUYHJTC-UHFFFAOYSA-N 1 1 262.303 3.355 20 30 CGEDMO CC[C@H]1CCC[N@H+]1Cc1cc(C#N)c(F)cc1F ZINC001237535250 819773975 /nfs/dbraw/zinc/77/39/75/819773975.db2.gz UNHMIWSWLANZQN-LBPRGKRZSA-N 1 1 250.292 3.211 20 30 CGEDMO COc1ncc(C2CC2)cc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001238026454 819915352 /nfs/dbraw/zinc/91/53/52/819915352.db2.gz OSUDCTDVDCMLAK-ZDUSSCGKSA-N 1 1 285.391 3.093 20 30 CGEDMO COc1ncc(C2CC2)cc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001238026454 819915358 /nfs/dbraw/zinc/91/53/58/819915358.db2.gz OSUDCTDVDCMLAK-ZDUSSCGKSA-N 1 1 285.391 3.093 20 30 CGEDMO Cc1cc(F)cc(C[N@@H+](C)Cc2ccc(C#N)cc2)c1O ZINC001238062876 819920818 /nfs/dbraw/zinc/92/08/18/819920818.db2.gz YMDUDXONDPHICB-UHFFFAOYSA-N 1 1 284.334 3.343 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(Cl)c(C#N)c2)CCC[C@]1(C)O ZINC001238188399 819950742 /nfs/dbraw/zinc/95/07/42/819950742.db2.gz CNVYDYAFJRPHQB-LRDDRELGSA-N 1 1 292.810 3.195 20 30 CGEDMO CC(=O)C1CC[NH+](Cc2ccc(Cl)c(C#N)c2)CC1 ZINC001238190172 819950978 /nfs/dbraw/zinc/95/09/78/819950978.db2.gz BJEWGLNETHSPTP-UHFFFAOYSA-N 1 1 276.767 3.013 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@]3(C2)CCCCO3)ccc1Cl ZINC001238188885 819951241 /nfs/dbraw/zinc/95/12/41/819951241.db2.gz JZIJQHUQZHRDQB-INIZCTEOSA-N 1 1 290.794 3.357 20 30 CGEDMO Cc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)cnc1OC(C)C ZINC001238389354 819985323 /nfs/dbraw/zinc/98/53/23/819985323.db2.gz HNQLVWDGRUAJCK-HNNXBMFYSA-N 1 1 287.407 3.303 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)cnc1OC(C)C ZINC001238389354 819985328 /nfs/dbraw/zinc/98/53/28/819985328.db2.gz HNQLVWDGRUAJCK-HNNXBMFYSA-N 1 1 287.407 3.303 20 30 CGEDMO C=CCN1CCN(Cc2cc(OC(C)C)ccc2C)CC1 ZINC001238486586 820020240 /nfs/dbraw/zinc/02/02/40/820020240.db2.gz SOZWQACAMZMYPS-UHFFFAOYSA-N 1 1 288.435 3.086 20 30 CGEDMO C=CC[NH+]1CCN(Cc2cc(OC(C)C)ccc2C)CC1 ZINC001238486586 820020245 /nfs/dbraw/zinc/02/02/45/820020245.db2.gz SOZWQACAMZMYPS-UHFFFAOYSA-N 1 1 288.435 3.086 20 30 CGEDMO CCc1cc(C[N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)ccc1C#N ZINC001238760963 820110155 /nfs/dbraw/zinc/11/01/55/820110155.db2.gz RAAOAQHVGARTSI-CABCVRRESA-N 1 1 276.330 3.208 20 30 CGEDMO CCc1cc(C[N@@H+](C)CCc2cccnc2)ccc1C#N ZINC001238777689 820116099 /nfs/dbraw/zinc/11/60/99/820116099.db2.gz GIUQISBBWNDGIR-UHFFFAOYSA-N 1 1 279.387 3.190 20 30 CGEDMO CCc1cc(C[N@H+]2CCC[C@H](CF)C2)ccc1C#N ZINC001238778416 820116498 /nfs/dbraw/zinc/11/64/98/820116498.db2.gz MKZQLPVMIYHPQE-CQSZACIVSA-N 1 1 260.356 3.302 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1/C=C/c1ccc(C#N)cc1 ZINC001239291422 820253959 /nfs/dbraw/zinc/25/39/59/820253959.db2.gz JXGHUAJVLRPLGV-CMDGGOBGSA-N 1 1 263.344 3.498 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2cnn(C)c2)cc1 ZINC001240297768 820943315 /nfs/dbraw/zinc/94/33/15/820943315.db2.gz PVYJGCBKJLAOSJ-KRWDZBQOSA-N 1 1 267.376 3.410 20 30 CGEDMO N#CCc1ccc(C2=CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC001240388517 821012471 /nfs/dbraw/zinc/01/24/71/821012471.db2.gz NTBRFFCTOAREAS-UHFFFAOYSA-N 1 1 289.382 3.437 20 30 CGEDMO C[N@@H+]1CC=C(c2cc(C#C[Si](C)(C)C)ccn2)CC1 ZINC001241317111 821727209 /nfs/dbraw/zinc/72/72/09/821727209.db2.gz JQNFYGYYAJREBF-UHFFFAOYSA-N 1 1 270.452 3.029 20 30 CGEDMO N#CCc1ccc(C2=CC[N@@H+](Cc3ccccc3)CC2)nc1 ZINC001241501652 821904429 /nfs/dbraw/zinc/90/44/29/821904429.db2.gz QWNYFRJZJUCETL-UHFFFAOYSA-N 1 1 289.382 3.437 20 30 CGEDMO C[N@H+]1CCC=C(c2ccc(C3(C#N)CCC3)cc2)C1 ZINC001241570942 821956821 /nfs/dbraw/zinc/95/68/21/821956821.db2.gz REFFYDGFZUDMOD-UHFFFAOYSA-N 1 1 252.361 3.351 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2cnc(N)nc2C)cc1 ZINC001241648749 822030236 /nfs/dbraw/zinc/03/02/36/822030236.db2.gz OXSMFWYXKRBJAZ-KRWDZBQOSA-N 1 1 294.402 3.357 20 30 CGEDMO C#Cc1ccc(-c2cc(F)c3c(c2)C[N@@H+](C)CC3)cc1 ZINC001242296288 822942290 /nfs/dbraw/zinc/94/22/90/822942290.db2.gz APQZRJGBYWKLKF-UHFFFAOYSA-N 1 1 265.331 3.462 20 30 CGEDMO C[N@H+]1CCc2cc(C3=CC(=O)CC(C)(C)C3)ccc2C1 ZINC001242316218 822949553 /nfs/dbraw/zinc/94/95/53/822949553.db2.gz OPOWCPRTAPHNMW-UHFFFAOYSA-N 1 1 269.388 3.447 20 30 CGEDMO C=C1CCC(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001338288782 936314658 /nfs/dbraw/zinc/31/46/58/936314658.db2.gz MJDDGKPBDSFTAD-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)c2ccsc2)C[C@H]1C ZINC001328223193 935125384 /nfs/dbraw/zinc/12/53/84/935125384.db2.gz LVUKMUZJHNEYQL-HIFRSBDPSA-N 1 1 292.448 3.297 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)CCC(C)C)C[C@@H]1C ZINC001328220756 935125414 /nfs/dbraw/zinc/12/54/14/935125414.db2.gz CYWWXZNORKUHFP-JKSUJKDBSA-N 1 1 280.456 3.358 20 30 CGEDMO CS[C@@H]1CC[C@@H]([N@@H+](C)Cc2csc(C#N)c2)C1 ZINC001335421071 936144410 /nfs/dbraw/zinc/14/44/10/936144410.db2.gz KVCAFQZDAKTKTE-VXGBXAGGSA-N 1 1 266.435 3.336 20 30 CGEDMO CS[C@H]1CC[C@@H]([N@@H+](C)CCCC2(C#N)CCOCC2)C1 ZINC001339844211 936387905 /nfs/dbraw/zinc/38/79/05/936387905.db2.gz ONTDYXUDNSMHEC-CABCVRRESA-N 1 1 296.480 3.303 20 30 CGEDMO C#CC[N@H+](CC)Cc1cc2ccnc(Cl)c2s1 ZINC001474383340 937855974 /nfs/dbraw/zinc/85/59/74/937855974.db2.gz ZGBMXVDFXVDFSP-UHFFFAOYSA-N 1 1 264.781 3.405 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC001343242950 936492027 /nfs/dbraw/zinc/49/20/27/936492027.db2.gz SZCJXIGMDSAPEZ-CYBMUJFWSA-N 1 1 269.747 3.256 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC001343242950 936492030 /nfs/dbraw/zinc/49/20/30/936492030.db2.gz SZCJXIGMDSAPEZ-CYBMUJFWSA-N 1 1 269.747 3.256 20 30 CGEDMO C=CCC[N@@H+](C)CCCNC(=O)c1cc(Cl)ccc1C ZINC001479803401 936528011 /nfs/dbraw/zinc/52/80/11/936528011.db2.gz PIRTZTOCNMNCJD-UHFFFAOYSA-N 1 1 294.826 3.276 20 30 CGEDMO C#CC[N@H+](CC1CC1)[C@@H](C)c1nc(-c2cccs2)no1 ZINC001345029208 936797971 /nfs/dbraw/zinc/79/79/71/936797971.db2.gz GWOMOIAGAYZOOV-NSHDSACASA-N 1 1 287.388 3.204 20 30 CGEDMO C#CC[N@@H+](CC1CC1)[C@@H](C)c1nc(-c2cccs2)no1 ZINC001345029208 936797972 /nfs/dbraw/zinc/79/79/72/936797972.db2.gz GWOMOIAGAYZOOV-NSHDSACASA-N 1 1 287.388 3.204 20 30 CGEDMO C=C(CC(C)C)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001346452700 936849133 /nfs/dbraw/zinc/84/91/33/936849133.db2.gz XQNLNDYAMAPXJG-RDJZCZTQSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@@H+]2C1 ZINC001348022213 936907454 /nfs/dbraw/zinc/90/74/54/936907454.db2.gz ATIRFOLXZNMRGK-VQHPVUNQSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001480247362 937040735 /nfs/dbraw/zinc/04/07/35/937040735.db2.gz SUQSAXUQOLNUIS-HNNXBMFYSA-N 1 1 280.456 3.217 20 30 CGEDMO Cc1nc(C[NH2+][C@H](C)c2cccc(C#N)c2)c(C)s1 ZINC001353043308 937056433 /nfs/dbraw/zinc/05/64/33/937056433.db2.gz IYWZVPMKDWCCAJ-SNVBAGLBSA-N 1 1 271.389 3.482 20 30 CGEDMO C[N@H+]1C[C@@H]2CC[C@@H](Nc3cccc(C(F)F)c3C#N)[C@@H]2C1 ZINC001354394252 937100884 /nfs/dbraw/zinc/10/08/84/937100884.db2.gz GPXGLJVUBWREHF-PSOPSSQASA-N 1 1 291.345 3.248 20 30 CGEDMO CC#CC[N@H+](C)CCNC(=O)[C@H](CCC)CC1CCCC1 ZINC001480920431 926794110 /nfs/dbraw/zinc/79/41/10/926794110.db2.gz PHOLUNPUPOVMID-QGZVFWFLSA-N 1 1 292.467 3.054 20 30 CGEDMO C=C(Cl)C[N@H+](CCC)CCNC(=O)c1c(C)coc1C ZINC001493288265 926794374 /nfs/dbraw/zinc/79/43/74/926794374.db2.gz NPGPJNDLRFFQHD-UHFFFAOYSA-N 1 1 298.814 3.091 20 30 CGEDMO C=C(Cl)C[N@@H+](CCC)CCNC(=O)c1c(C)coc1C ZINC001493288265 926794378 /nfs/dbraw/zinc/79/43/78/926794378.db2.gz NPGPJNDLRFFQHD-UHFFFAOYSA-N 1 1 298.814 3.091 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001480975878 926849183 /nfs/dbraw/zinc/84/91/83/926849183.db2.gz LHVNCWXCLKBBNU-LSDHHAIUSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CC[N@@H+](CC)CCNC(=O)c1ccc(C2CCC2)cc1 ZINC001480979545 926851364 /nfs/dbraw/zinc/85/13/64/926851364.db2.gz MRGWIGRXCNGBJO-UHFFFAOYSA-N 1 1 286.419 3.192 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@H]2CCC[N@H+]2CCCCCF)C1 ZINC001481056741 926874872 /nfs/dbraw/zinc/87/48/72/926874872.db2.gz MIUCIPIXDKKKCJ-OAHLLOKOSA-N 1 1 296.430 3.063 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001481060226 926876068 /nfs/dbraw/zinc/87/60/68/926876068.db2.gz YAJKBAQGDKVNSM-IXDOHACOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(Cl)C[N@H+](CCCNC(=O)[C@@H]1CC1(C)C)C(C)C ZINC001481348669 926962009 /nfs/dbraw/zinc/96/20/09/926962009.db2.gz HVHUDLCSHOVSJK-ZDUSSCGKSA-N 1 1 286.847 3.002 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)C2CCC(=C)CC2)C1 ZINC001481405182 926979951 /nfs/dbraw/zinc/97/99/51/926979951.db2.gz AYGXUCFVHGSCOZ-QGZVFWFLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)C=C(CC)CC)C1 ZINC001481480974 926998806 /nfs/dbraw/zinc/99/88/06/926998806.db2.gz DCDLRNHXKAVTRQ-QGZVFWFLSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CC[N@H+](C)CC1CCN(C(=O)c2cscc2C)CC1 ZINC001481513014 927010540 /nfs/dbraw/zinc/01/05/40/927010540.db2.gz GBJRTEUKJNYPLP-UHFFFAOYSA-N 1 1 292.448 3.027 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC001481536929 927020223 /nfs/dbraw/zinc/02/02/23/927020223.db2.gz WMGXXZIUCRSKFB-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CCC[N@H+](CC(=C)C)C2)CCCC1 ZINC001481540136 927022030 /nfs/dbraw/zinc/02/20/30/927022030.db2.gz PRTKASDNGJYMQZ-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C)cc2)C1 ZINC001481539293 927022517 /nfs/dbraw/zinc/02/25/17/927022517.db2.gz UDPYFHYSUSNWHX-KRWDZBQOSA-N 1 1 286.419 3.155 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)C(C)(C)CCC)C1 ZINC001481705280 927066756 /nfs/dbraw/zinc/06/67/56/927066756.db2.gz QGBRNWMOTNCQFD-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC1(C(=O)N[C@H](C)C[N@H+](C)C[C@@H](C)CC)CCC1 ZINC001498377068 927139010 /nfs/dbraw/zinc/13/90/10/927139010.db2.gz UUJUFOQXWRWQDE-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)/C=C/C(C)(C)C ZINC001482586965 927305699 /nfs/dbraw/zinc/30/56/99/927305699.db2.gz UNLBKLVWBHFULA-RUMSDORHSA-N 1 1 280.456 3.334 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001505924156 927371129 /nfs/dbraw/zinc/37/11/29/927371129.db2.gz JNGPXZBRPSDLSO-JKSUJKDBSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@H]1CCO[C@H]1C ZINC001473118709 937164414 /nfs/dbraw/zinc/16/44/14/937164414.db2.gz QSRIXEPGSPINRE-UONOGXRCSA-N 1 1 263.356 3.239 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)C1CCC(=C)CC1 ZINC001483381260 927493958 /nfs/dbraw/zinc/49/39/58/927493958.db2.gz VGOKAVPEOJLFJY-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(Cl)c(C)c1 ZINC001483380578 927494051 /nfs/dbraw/zinc/49/40/51/927494051.db2.gz BUZJVYKHRIURKF-ZDUSSCGKSA-N 1 1 294.826 3.275 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCC=CCCC1 ZINC001483658118 927561953 /nfs/dbraw/zinc/56/19/53/927561953.db2.gz GLTRGVRXFPBXCD-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C)C(CC)CC ZINC001483662416 927562504 /nfs/dbraw/zinc/56/25/04/927562504.db2.gz UYYGTXADRZPBKH-HOCLYGCPSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)C/C=C(/C)C=C ZINC001483674202 927565175 /nfs/dbraw/zinc/56/51/75/927565175.db2.gz XCURYDSMRKGPBO-KCKALFRLSA-N 1 1 276.424 3.054 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C(CC)CC ZINC001483810517 927627913 /nfs/dbraw/zinc/62/79/13/927627913.db2.gz XTVXWNSUUMUNCZ-OIISXLGYSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCCCC(=O)N1CC[C@@]2(CC[N@H+](CCCC)C2)C1 ZINC001483845905 927634836 /nfs/dbraw/zinc/63/48/36/927634836.db2.gz RZMYJGCWVJLFMN-QGZVFWFLSA-N 1 1 278.440 3.067 20 30 CGEDMO C=C(C)CCC(=O)N[C@]1(C)CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001484051150 927667613 /nfs/dbraw/zinc/66/76/13/927667613.db2.gz YJPZQVGNDXQCGC-GOSISDBHSA-N 1 1 292.467 3.360 20 30 CGEDMO C#Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+](CCCCC)C2)cc1 ZINC001484054877 927669806 /nfs/dbraw/zinc/66/98/06/927669806.db2.gz STOWRMOQAFZSAS-IBGZPJMESA-N 1 1 298.430 3.052 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H](NC(=O)CC)CC1 ZINC001484705752 927739639 /nfs/dbraw/zinc/73/96/39/927739639.db2.gz XFWUBKONUJSDQT-HNNXBMFYSA-N 1 1 268.445 3.338 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@@H+](CCCC=C)[C@H](C)C1 ZINC001484976604 927779553 /nfs/dbraw/zinc/77/95/53/927779553.db2.gz MNVBQUQSUGCSNY-CVEARBPZSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)CCC1CCCC1 ZINC001485271443 927839543 /nfs/dbraw/zinc/83/95/43/927839543.db2.gz WFQYCSHYPJSJGZ-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H](C)[N@@H+](C)Cc1csc(C)c1 ZINC001485338538 927852315 /nfs/dbraw/zinc/85/23/15/927852315.db2.gz MKRVOJTXQXYVFR-LBPRGKRZSA-N 1 1 294.464 3.205 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)C1(C)CCC(C)CC1 ZINC001485391679 927858070 /nfs/dbraw/zinc/85/80/70/927858070.db2.gz YMXIBVJPUMCKKL-CKDBGZEDSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)C(C)(C)C ZINC001485480756 927880893 /nfs/dbraw/zinc/88/08/93/927880893.db2.gz XQVSATYTUAWNIS-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C)C1CCCC1 ZINC001485484800 927882223 /nfs/dbraw/zinc/88/22/23/927882223.db2.gz LNRVXNUXLDWNKX-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)C(C)(C)C(=C)C)C(C)(C)C1 ZINC001485574248 927892629 /nfs/dbraw/zinc/89/26/29/927892629.db2.gz OUURQRCSYWLHND-OAHLLOKOSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)/C=C/C(C)(C)C)C1 ZINC001493997990 927894063 /nfs/dbraw/zinc/89/40/63/927894063.db2.gz SAVZISHHZKKSCF-VGZDNEPHSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C[C@H](CC)CC(=O)NCC[C@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001494043609 927901174 /nfs/dbraw/zinc/90/11/74/927901174.db2.gz SLBSDODYCZNLMK-SJORKVTESA-N 1 1 292.467 3.383 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)C2(CCCC)CC2)CC1 ZINC001486514793 928029377 /nfs/dbraw/zinc/02/93/77/928029377.db2.gz IYONKVAIIAIOGH-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)C2(CC(C)C)CCC2)CC1 ZINC001486511559 928030296 /nfs/dbraw/zinc/03/02/96/928030296.db2.gz UKBXGGIRHXGFLB-UHFFFAOYSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NCC1=CC[N@@H+](C[C@H](F)CC)CC1 ZINC001486512782 928031207 /nfs/dbraw/zinc/03/12/07/928031207.db2.gz ALKPRDSTOGQAOH-GOEBONIOSA-N 1 1 296.430 3.085 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)CC[C@H](C)CC)C1 ZINC001480739132 937235942 /nfs/dbraw/zinc/23/59/42/937235942.db2.gz NKZOZAKPHMQWKW-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)C[C@@H](C)CC)C1 ZINC001480731491 937236011 /nfs/dbraw/zinc/23/60/11/937236011.db2.gz VTCQFIANKKHVBX-LSDHHAIUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)CC[C@@H](C)CC)C1 ZINC001480739133 937236127 /nfs/dbraw/zinc/23/61/27/937236127.db2.gz NKZOZAKPHMQWKW-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC001489315787 928323076 /nfs/dbraw/zinc/32/30/76/928323076.db2.gz CPULMUQUQGEHNN-KRWDZBQOSA-N 1 1 286.419 3.189 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[N@H+](C[C@@H](F)CC)CC(C)(C)C1 ZINC001489343664 928330578 /nfs/dbraw/zinc/33/05/78/928330578.db2.gz IPOLYQLKEFILEU-LSDHHAIUSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CCC[N@@H+](C)CCCNC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001490256363 928339347 /nfs/dbraw/zinc/33/93/47/928339347.db2.gz YELGOCUPFYTRKV-FVQHAEBGSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)CC)C1 ZINC001490426815 928362775 /nfs/dbraw/zinc/36/27/75/928362775.db2.gz FVCBPWZUHDXWGJ-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CCC[N@@H+](CC3CC3)C2)CCCC1 ZINC001490460284 928363690 /nfs/dbraw/zinc/36/36/90/928363690.db2.gz BWQHBTMDGFNFDE-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@@H](C)CC)C1 ZINC001490758671 928387487 /nfs/dbraw/zinc/38/74/87/928387487.db2.gz GPBXWOAPWTVKCW-HOTGVXAUSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC(C)C ZINC001490784407 928389891 /nfs/dbraw/zinc/38/98/91/928389891.db2.gz MRNOGDSASCUBCP-IYBDPMFKSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H](C)C2CC2)C1 ZINC001317753561 928396375 /nfs/dbraw/zinc/39/63/75/928396375.db2.gz GVKDPHRKKNBTPK-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1CCC[N@@H+](CC(=C)Cl)CC1 ZINC001327148285 928621912 /nfs/dbraw/zinc/62/19/12/928621912.db2.gz SATFAIDHLKTBCZ-LSDHHAIUSA-N 1 1 298.858 3.312 20 30 CGEDMO C#CC1CC[NH+](Cc2cccc(Br)c2F)CC1 ZINC001139534566 928783641 /nfs/dbraw/zinc/78/36/41/928783641.db2.gz RMFSSZQMVJRUOO-UHFFFAOYSA-N 1 1 296.183 3.433 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]2C[N@@H+](CC(C)C)CC[C@H]21 ZINC001490984097 928821004 /nfs/dbraw/zinc/82/10/04/928821004.db2.gz QFMYINJONIVOLA-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC ZINC001490974986 928822320 /nfs/dbraw/zinc/82/23/20/928822320.db2.gz QMKJXLJFSGOQLE-MQVJKMGUSA-N 1 1 278.440 3.254 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@H]1CCC[N@H+](CCC(C)C)C1 ZINC001491118745 928832730 /nfs/dbraw/zinc/83/27/30/928832730.db2.gz VBXRFNKJXZZZSI-MRXNPFEDSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@]1(C)CC=CCC1 ZINC001491216051 928844559 /nfs/dbraw/zinc/84/45/59/928844559.db2.gz XJTIVXKIYKUMHU-FUHWJXTLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H](F)CC ZINC001491209320 928844998 /nfs/dbraw/zinc/84/49/98/928844998.db2.gz BNEJDIDNSLCFAS-LSDHHAIUSA-N 1 1 284.419 3.062 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@](C)(C=C)CC ZINC001491224492 928845186 /nfs/dbraw/zinc/84/51/86/928845186.db2.gz ITHMXGCBKRDKKP-NVXWUHKLSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001454585038 937409909 /nfs/dbraw/zinc/40/99/09/937409909.db2.gz UWBJPOKTKCWQPR-MRXNPFEDSA-N 1 1 288.435 3.398 20 30 CGEDMO C=CC[N@H+](C[C@H](O)CC1(C#N)CCC1)CC1CCCCC1 ZINC001459490274 937489764 /nfs/dbraw/zinc/48/97/64/937489764.db2.gz RSSVEXDWOBINBL-QGZVFWFLSA-N 1 1 290.451 3.500 20 30 CGEDMO C#CC[N@@H+](CC#CC)CCCOc1cccc(Cl)c1 ZINC001459574007 937492778 /nfs/dbraw/zinc/49/27/78/937492778.db2.gz KEYQHQWTFGOZTH-UHFFFAOYSA-N 1 1 275.779 3.067 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)C[C@H]1CC(C)(C)CO1 ZINC001459607472 937493216 /nfs/dbraw/zinc/49/32/16/937493216.db2.gz JEWCEOZIKOGTSJ-CQSZACIVSA-N 1 1 252.402 3.063 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)C[C@H]1CC(C)(C)CO1 ZINC001459607472 937493219 /nfs/dbraw/zinc/49/32/19/937493219.db2.gz JEWCEOZIKOGTSJ-CQSZACIVSA-N 1 1 252.402 3.063 20 30 CGEDMO C=CC[C@H]([NH2+][C@@H]1CCC[C@@H]1CCCC)C(=O)OC ZINC001459906677 937505926 /nfs/dbraw/zinc/50/59/26/937505926.db2.gz WLVQVGOCARGBLF-MJBXVCDLSA-N 1 1 253.386 3.053 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1cc(C)cc(C)c1 ZINC001460070987 937514307 /nfs/dbraw/zinc/51/43/07/937514307.db2.gz MFTJXQVKDDAKBU-HXUWFJFHSA-N 1 1 293.410 3.472 20 30 CGEDMO C[C@H]1C[N@@H+](CCc2ccc(C#N)cc2)Cc2ccccc2O1 ZINC001460175188 937519289 /nfs/dbraw/zinc/51/92/89/937519289.db2.gz LMCCYYOCUQUWFL-HNNXBMFYSA-N 1 1 292.382 3.384 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC001460202888 937520190 /nfs/dbraw/zinc/52/01/90/937520190.db2.gz LZXWGBFKMSAIBI-IUODEOHRSA-N 1 1 253.386 3.005 20 30 CGEDMO C#C[C@H]1CCC[N@H+](CCOc2ccc(F)cc2Cl)C1 ZINC001460306857 937525956 /nfs/dbraw/zinc/52/59/56/937525956.db2.gz AYUWIMFBZLUICS-LBPRGKRZSA-N 1 1 281.758 3.203 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@H]2CCCC[C@@]2(C(=O)OC)C1 ZINC001460314221 937526312 /nfs/dbraw/zinc/52/63/12/937526312.db2.gz PWBYACNUBPIZNC-NVXWUHKLSA-N 1 1 279.424 3.398 20 30 CGEDMO C#CC[N@@H+](Cc1cc(C(=O)OC)ccc1Cl)C(C)(C)C ZINC001460807776 937545986 /nfs/dbraw/zinc/54/59/86/937545986.db2.gz QCEPEKVKCCKMSV-UHFFFAOYSA-N 1 1 293.794 3.360 20 30 CGEDMO C#CC[N@H+](Cc1cc(C(=O)OC)ccc1Cl)C(C)(C)C ZINC001460807776 937545989 /nfs/dbraw/zinc/54/59/89/937545989.db2.gz QCEPEKVKCCKMSV-UHFFFAOYSA-N 1 1 293.794 3.360 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1cnc(OC)c2ccccc12 ZINC001460904342 937551898 /nfs/dbraw/zinc/55/18/98/937551898.db2.gz GCJDDNFCBFMVKB-AWEZNQCLSA-N 1 1 268.360 3.394 20 30 CGEDMO N#Cc1ccc(Cl)c(C[N@H+]2CC[C@@]3(C2)CCCOC3)c1 ZINC001140602561 931959449 /nfs/dbraw/zinc/95/94/49/931959449.db2.gz MUFYTYYPKXYDNY-MRXNPFEDSA-N 1 1 290.794 3.214 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1cc2c(cc1Cl)OCCO2 ZINC001460911430 937552779 /nfs/dbraw/zinc/55/27/79/937552779.db2.gz WYOFENONBGEQMU-GFCCVEGCSA-N 1 1 279.767 3.262 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1cc2c(cc1Cl)OCCO2 ZINC001460911430 937552780 /nfs/dbraw/zinc/55/27/80/937552780.db2.gz WYOFENONBGEQMU-GFCCVEGCSA-N 1 1 279.767 3.262 20 30 CGEDMO CC(C)C1(O)CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC001460946228 937554826 /nfs/dbraw/zinc/55/48/26/937554826.db2.gz BMARRAXZFNHPBB-UHFFFAOYSA-N 1 1 291.822 3.174 20 30 CGEDMO N#Cc1cccc(Nc2c[nH+]c3ccccn23)c1F ZINC001216412993 932018613 /nfs/dbraw/zinc/01/86/13/932018613.db2.gz CSZQGBXRSKPEED-UHFFFAOYSA-N 1 1 252.252 3.089 20 30 CGEDMO C=CCCC1(C(=O)NC2CC[NH+](CC(=C)Cl)CC2)CC1 ZINC001229037470 932078011 /nfs/dbraw/zinc/07/80/11/932078011.db2.gz MIDMZGFVVDUHQU-UHFFFAOYSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CC[C@H](Oc1ccc(C(=[NH2+])NO)c(F)c1)C(C)C ZINC001229079838 932089939 /nfs/dbraw/zinc/08/99/39/932089939.db2.gz BNIPPMCROIOSLV-ZDUSSCGKSA-N 1 1 266.316 3.109 20 30 CGEDMO C=CC[C@H]1CCCN(C(=O)N[C@H](C)C[N@H+](CC)CCC)C1 ZINC001229350043 932137264 /nfs/dbraw/zinc/13/72/64/932137264.db2.gz DCBMCIOXALNOEY-CVEARBPZSA-N 1 1 295.471 3.105 20 30 CGEDMO C=CCOc1ccccc1O[C@@H]1[C@@H]2CCC[C@H]1C[N@H+](C)C2 ZINC001229612270 932178099 /nfs/dbraw/zinc/17/80/99/932178099.db2.gz ZBRLSEOCPJTDRS-JLVBRIDZSA-N 1 1 287.403 3.361 20 30 CGEDMO C=CCOc1ccccc1O[C@H]1CCC[N@H+](C)CC1 ZINC001229613600 932179191 /nfs/dbraw/zinc/17/91/91/932179191.db2.gz DXXXDAWCTQOJHM-AWEZNQCLSA-N 1 1 261.365 3.115 20 30 CGEDMO C#C[C@H]([NH2+]Cc1cc(C(C)(C)C)oc1C)[C@@H]1CCCO1 ZINC001461443055 937582058 /nfs/dbraw/zinc/58/20/58/937582058.db2.gz HJHWRTWYVLYJFA-GJZGRUSLSA-N 1 1 275.392 3.156 20 30 CGEDMO C=CC(C)(C)CCC[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC001461733277 937594567 /nfs/dbraw/zinc/59/45/67/937594567.db2.gz GZDWWUCQELVKTO-AWEZNQCLSA-N 1 1 252.446 3.441 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@H](C)[C@H](C)CC)CC1 ZINC001229776843 932484463 /nfs/dbraw/zinc/48/44/63/932484463.db2.gz WTDSIMICQJMZCF-DGCLKSJQSA-N 1 1 286.847 3.002 20 30 CGEDMO C#CC[NH+](CC#C)Cc1cc2cccc(CC)c2o1 ZINC001461927312 937606693 /nfs/dbraw/zinc/60/66/93/937606693.db2.gz PKERGGAGOAGZFX-UHFFFAOYSA-N 1 1 251.329 3.064 20 30 CGEDMO C=CCC1(C(=O)NC2CC[NH+](CCF)CC2)CCCCC1 ZINC001230332090 932560268 /nfs/dbraw/zinc/56/02/68/932560268.db2.gz QWCWPNCPKUIGND-UHFFFAOYSA-N 1 1 296.430 3.063 20 30 CGEDMO N#Cc1ccc(F)cc1O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001230637110 932602546 /nfs/dbraw/zinc/60/25/46/932602546.db2.gz UAFTYPXZJMFTMT-QGZVFWFLSA-N 1 1 296.345 3.351 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)c1occc1C ZINC001230762009 932620039 /nfs/dbraw/zinc/62/00/39/932620039.db2.gz DVZYYPUJVWRVLO-CABCVRRESA-N 1 1 290.407 3.089 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H](Oc2cnc3ccccc3c2C#N)C1 ZINC001234854628 932687417 /nfs/dbraw/zinc/68/74/17/932687417.db2.gz KVCZYLHNOQEKAI-AWEZNQCLSA-N 1 1 295.386 3.358 20 30 CGEDMO N#CC1CCC(C[NH2+]Cc2ccc(O)c(F)c2F)CC1 ZINC001462139818 937619894 /nfs/dbraw/zinc/61/98/94/937619894.db2.gz YYPPAUFVKFGNMX-UHFFFAOYSA-N 1 1 280.318 3.090 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)/C(C)=C/C)C1 ZINC001316642055 932754921 /nfs/dbraw/zinc/75/49/21/932754921.db2.gz JNKYOXQQBRQCNX-ISSVYOCRSA-N 1 1 298.430 3.113 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCNC(=O)C[C@@H]1CCC[C@H]1C ZINC001316826953 932761555 /nfs/dbraw/zinc/76/15/55/932761555.db2.gz VROZCELYVZQIHV-OCCSQVGLSA-N 1 1 286.847 3.003 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCNC(=O)C[C@@H]1CCC[C@H]1C ZINC001316826953 932761561 /nfs/dbraw/zinc/76/15/61/932761561.db2.gz VROZCELYVZQIHV-OCCSQVGLSA-N 1 1 286.847 3.003 20 30 CGEDMO C=CCCCCC[C@@H](C)[NH2+][C@@H](C)C(=O)OC(C)C ZINC001462254190 937627602 /nfs/dbraw/zinc/62/76/02/937627602.db2.gz REDSBRMPILJHTJ-KGLIPLIRSA-N 1 1 255.402 3.441 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]1CCCNC(=O)C(C)(C)F ZINC001492136217 932809395 /nfs/dbraw/zinc/80/93/95/932809395.db2.gz RJLFKBYSAFFZKA-AWEZNQCLSA-N 1 1 284.419 3.062 20 30 CGEDMO C=CCCC(=O)NCC[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC001492213958 932811279 /nfs/dbraw/zinc/81/12/79/932811279.db2.gz REEYIRCLIBVWGK-UHFFFAOYSA-N 1 1 288.435 3.324 20 30 CGEDMO C=C(C)C[N@@H+](C)CCNC(=O)c1cc(C)c(C)cc1Cl ZINC001492370369 932815291 /nfs/dbraw/zinc/81/52/91/932815291.db2.gz SHKLRBKZIGDHLV-UHFFFAOYSA-N 1 1 294.826 3.195 20 30 CGEDMO C=CCC[N@@H+](C)CCNC(=O)c1csc2ccccc21 ZINC001492363095 932815711 /nfs/dbraw/zinc/81/57/11/932815711.db2.gz HRFSTDPRMNTDDB-UHFFFAOYSA-N 1 1 288.416 3.139 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc(C)c(OC)n2)C1 ZINC001462416874 937639458 /nfs/dbraw/zinc/63/94/58/937639458.db2.gz SZOUBLCIKIYZKW-CQSZACIVSA-N 1 1 260.381 3.187 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2c(OC)cc(F)cc2OC)C1 ZINC001462461033 937643060 /nfs/dbraw/zinc/64/30/60/937643060.db2.gz MDTUDJCLHALUNI-GFCCVEGCSA-N 1 1 279.355 3.241 20 30 CGEDMO C#CCCCCCC[NH2+]C1(C(=O)OCC)CCCC1 ZINC001307566017 932971487 /nfs/dbraw/zinc/97/14/87/932971487.db2.gz WGYCIGIXOUXTQP-UHFFFAOYSA-N 1 1 265.397 3.036 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)CC#Cc1ccccc1Cl ZINC001307728684 932992838 /nfs/dbraw/zinc/99/28/38/932992838.db2.gz GGGUZEMMWUMMOJ-UHFFFAOYSA-N 1 1 290.838 3.131 20 30 CGEDMO C=CC[C@H]1[N@@H+](C[C@H](C)CN2CCOCC2)CCCC1(C)C ZINC001307730189 932993244 /nfs/dbraw/zinc/99/32/44/932993244.db2.gz UVRQECYWXGITQC-IAGOWNOFSA-N 1 1 294.483 3.021 20 30 CGEDMO C=CC[C@H]1[N@@H+](CC(=O)NCC(C)(C)C)CCCC1(C)C ZINC001307729375 932993405 /nfs/dbraw/zinc/99/34/05/932993405.db2.gz LVDILQJVLXFTSB-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO CCCCCCCCC[N@H+]1CC2CC1(C(=O)OC)C2 ZINC001307911818 933018370 /nfs/dbraw/zinc/01/83/70/933018370.db2.gz YTJFOZYIOMAVKN-UHFFFAOYSA-N 1 1 267.413 3.374 20 30 CGEDMO C#CCC[N@H+](CCCC1CCCCC1)CCOC ZINC001307955595 933025714 /nfs/dbraw/zinc/02/57/14/933025714.db2.gz CICDUXNMFVDNRZ-UHFFFAOYSA-N 1 1 251.414 3.319 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(C3(C(=O)OC)CC3)cc2)C1 ZINC001307961051 933027586 /nfs/dbraw/zinc/02/75/86/933027586.db2.gz GDVRWSIMLAJCET-HNNXBMFYSA-N 1 1 299.414 3.289 20 30 CGEDMO C[N@H+](Cc1ccc(F)c2cccnc12)[C@@H]1CCC[C@@H]1C#N ZINC001307994530 933031327 /nfs/dbraw/zinc/03/13/27/933031327.db2.gz PPDWJRCVORQZMM-MLGOLLRUSA-N 1 1 283.350 3.498 20 30 CGEDMO C[N@@H+](Cc1ccc(F)c2cccnc12)[C@@H]1CCC[C@@H]1C#N ZINC001307994530 933031334 /nfs/dbraw/zinc/03/13/34/933031334.db2.gz PPDWJRCVORQZMM-MLGOLLRUSA-N 1 1 283.350 3.498 20 30 CGEDMO C[N@H+](C[C@@H]1CC2(CO1)CCCCC2)[C@H]1CCC[C@@H]1C#N ZINC001307994934 933031836 /nfs/dbraw/zinc/03/18/36/933031836.db2.gz ZIFZUGUPCJLVDP-PMPSAXMXSA-N 1 1 276.424 3.350 20 30 CGEDMO C[N@@H+](C[C@@H]1CC2(CO1)CCCCC2)[C@H]1CCC[C@@H]1C#N ZINC001307994934 933031840 /nfs/dbraw/zinc/03/18/40/933031840.db2.gz ZIFZUGUPCJLVDP-PMPSAXMXSA-N 1 1 276.424 3.350 20 30 CGEDMO COCC#CC[N@H+]1CCC[C@@]1(C)Cc1ccc(F)c(F)c1 ZINC001308016424 933035386 /nfs/dbraw/zinc/03/53/86/933035386.db2.gz SKICUALLDKBCSP-KRWDZBQOSA-N 1 1 293.357 3.012 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC001308067756 933042505 /nfs/dbraw/zinc/04/25/05/933042505.db2.gz KFMKMBGDMNBLME-WBVHZDCISA-N 1 1 253.389 3.452 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC001308137067 933055160 /nfs/dbraw/zinc/05/51/60/933055160.db2.gz NYEFQNVMNQQIEH-BBWFWOEESA-N 1 1 292.467 3.454 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCCC[C@H]1[C@H]1CCCO1 ZINC001308159075 933061562 /nfs/dbraw/zinc/06/15/62/933061562.db2.gz GXCKIIMRYHAKIC-DLBZAZTESA-N 1 1 288.366 3.231 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCCC[C@H]1[C@H]1CCCO1 ZINC001308159075 933061563 /nfs/dbraw/zinc/06/15/63/933061563.db2.gz GXCKIIMRYHAKIC-DLBZAZTESA-N 1 1 288.366 3.231 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCCC[C@@]23CCCOC3)cc1 ZINC001308169299 933062991 /nfs/dbraw/zinc/06/29/91/933062991.db2.gz ARWSUDYIXOIKKH-SFHVURJKSA-N 1 1 284.403 3.136 20 30 CGEDMO CC[N@H+]1CCC[C@@H](Nc2ccc(OC(C)C)c(C#N)c2)C1 ZINC001308682388 933157336 /nfs/dbraw/zinc/15/73/36/933157336.db2.gz SMXBZBMJECZGSG-MRXNPFEDSA-N 1 1 287.407 3.242 20 30 CGEDMO C=CCC[C@@H]([NH2+][C@H]1CCCC(C)(C)C1)C(=O)OCC ZINC001308769131 933173715 /nfs/dbraw/zinc/17/37/15/933173715.db2.gz FYOUZBMLBYCAHZ-UONOGXRCSA-N 1 1 267.413 3.443 20 30 CGEDMO CCc1ccccc1C[NH+]1CC(Oc2ccc(C#N)cc2)C1 ZINC001308809991 933181928 /nfs/dbraw/zinc/18/19/28/933181928.db2.gz QIYCHOXXHMPMRI-UHFFFAOYSA-N 1 1 292.382 3.384 20 30 CGEDMO C=C(C)CCC(=O)NCC[N@H+](CC)CCC(C)(C)C ZINC001317480034 933249128 /nfs/dbraw/zinc/24/91/28/933249128.db2.gz RADLFLXNZPGRMX-UHFFFAOYSA-N 1 1 268.445 3.217 20 30 CGEDMO CC[N@@H+](CCNC(=O)C#CC(C)(C)C)C[C@H](C)CC(C)C ZINC001317480138 933249083 /nfs/dbraw/zinc/24/90/83/933249083.db2.gz PMCFVJRPQSMHDD-MRXNPFEDSA-N 1 1 294.483 3.156 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H](C)CC(C)(C)C ZINC001317511367 933305671 /nfs/dbraw/zinc/30/56/71/933305671.db2.gz QZUWVYYINCBTOK-CVEARBPZSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C(CC)CC ZINC001328705167 933463158 /nfs/dbraw/zinc/46/31/58/933463158.db2.gz SMGMLNMVRIFUJG-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C[N@H+]1CCC(N=Nc2ccc(C(C)(C)C)nn2)CC1(C)C ZINC001329110091 933467701 /nfs/dbraw/zinc/46/77/01/933467701.db2.gz HJSKIWHYVGOXRH-UHFFFAOYSA-N 1 1 289.427 3.046 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)[C@@H]1C ZINC001316790792 933480965 /nfs/dbraw/zinc/48/09/65/933480965.db2.gz NCRRNBKRKYPHMN-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H](C[N@H+](C)CCCC)C1 ZINC001317037490 933518436 /nfs/dbraw/zinc/51/84/36/933518436.db2.gz UBUNIZRRRJNNNH-MRXNPFEDSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H](C[N@@H+](C)CCC2CC2)C1 ZINC001317039259 933519477 /nfs/dbraw/zinc/51/94/77/933519477.db2.gz PKBCFCMANVZJDX-QGZVFWFLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CCC[N@H+](CCCC)C2)CCC1 ZINC001317134530 933536962 /nfs/dbraw/zinc/53/69/62/933536962.db2.gz ARGFSUMOEZLTST-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)CC1CCC1 ZINC001317170266 933544508 /nfs/dbraw/zinc/54/45/08/933544508.db2.gz XAWWGUBIEBDAAT-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)C2(C)CC2)C1 ZINC001317374211 933579344 /nfs/dbraw/zinc/57/93/44/933579344.db2.gz BSMWZFBSTSITHE-GJZGRUSLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)CCCF)C2)CC1 ZINC001317377364 933579518 /nfs/dbraw/zinc/57/95/18/933579518.db2.gz CCIDHIDVTYFULJ-MRXNPFEDSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CC1(CC(=O)NCC[N@H+](C)CC[C@H](C)F)CCCCC1 ZINC001317463428 933597905 /nfs/dbraw/zinc/59/79/05/933597905.db2.gz BOGKFTNAVOITEG-HNNXBMFYSA-N 1 1 298.446 3.309 20 30 CGEDMO CC#CC[N@@H+](CC)CCNC(=O)C[C@@H](C)C1CCCCC1 ZINC001317489654 933602855 /nfs/dbraw/zinc/60/28/55/933602855.db2.gz MVCFQGKINMBEIF-MRXNPFEDSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CC)CCNC(=O)c1ccc(Cl)[nH]1 ZINC001317486477 933603188 /nfs/dbraw/zinc/60/31/88/933603188.db2.gz XHHSAPGXNOBMEY-GFCCVEGCSA-N 1 1 297.830 3.075 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1CC12CCCC2 ZINC001317489232 933603389 /nfs/dbraw/zinc/60/33/89/933603389.db2.gz YHWREWLSOUGZOW-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001317505206 933607458 /nfs/dbraw/zinc/60/74/58/933607458.db2.gz JTXLGXRDYZIGTM-BZUAXINKSA-N 1 1 280.456 3.193 20 30 CGEDMO CC#CCCCC(=O)NC[C@@H]1CC[N@@H+](CCCC(C)C)C1 ZINC001317537220 933611787 /nfs/dbraw/zinc/61/17/87/933611787.db2.gz OGNFHLFZLXXDCU-KRWDZBQOSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)c1cc2ccc(C)cc2[nH]1 ZINC001317543541 933615722 /nfs/dbraw/zinc/61/57/22/933615722.db2.gz XDTHKNMHGCRQOC-UHFFFAOYSA-N 1 1 299.418 3.104 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCCC[N@H+](CCC)C(C)C ZINC001317695752 933634427 /nfs/dbraw/zinc/63/44/27/933634427.db2.gz ZKCXTRAWWZVHOU-UHFFFAOYSA-N 1 1 268.445 3.215 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)[C@H](C)C(C)(C)C)C(C)C ZINC001317695054 933634634 /nfs/dbraw/zinc/63/46/34/933634634.db2.gz YXHFNZRHUBKMCK-HNNXBMFYSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@@H](C[N@H+](C)CC/C=C\CC)C1 ZINC001317849327 933659614 /nfs/dbraw/zinc/65/96/14/933659614.db2.gz UJFDATURGPXWAR-QWGSZXSUSA-N 1 1 292.467 3.335 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC1C[NH+](CCCC(C)(C)C)C1 ZINC001318060014 933680220 /nfs/dbraw/zinc/68/02/20/933680220.db2.gz AWMWNLCVUXBIBT-QGZVFWFLSA-N 1 1 280.456 3.215 20 30 CGEDMO Cc1ccc(CN2CCC[N@@H+](CCCCC#N)CC2)cc1 ZINC001318215305 933696047 /nfs/dbraw/zinc/69/60/47/933696047.db2.gz FRZQNJROJNGNND-UHFFFAOYSA-N 1 1 285.435 3.197 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCCN(CCCCC#N)CC2)cc1 ZINC001318215305 933696058 /nfs/dbraw/zinc/69/60/58/933696058.db2.gz FRZQNJROJNGNND-UHFFFAOYSA-N 1 1 285.435 3.197 20 30 CGEDMO Cc1ccc(C[N@H+]2CCCN(CCCCC#N)CC2)cc1 ZINC001318215305 933696067 /nfs/dbraw/zinc/69/60/67/933696067.db2.gz FRZQNJROJNGNND-UHFFFAOYSA-N 1 1 285.435 3.197 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H](NC(=O)C2CCC3(CC3)CC2)C1 ZINC001318345487 933711061 /nfs/dbraw/zinc/71/10/61/933711061.db2.gz UMVBVHJKOUXNLW-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)CC)C1 ZINC001318425982 933723850 /nfs/dbraw/zinc/72/38/50/933723850.db2.gz ROWWAYBHJZFBFE-HUUCEWRRSA-N 1 1 280.456 3.310 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)CCC2(C)CC2)C1 ZINC001318442020 933727061 /nfs/dbraw/zinc/72/70/61/933727061.db2.gz JDWXJBJTKPFVPU-HOTGVXAUSA-N 1 1 292.467 3.454 20 30 CGEDMO C#CC[N@H+](Cc1ccc(SC)c(OC)c1)CC1CC1 ZINC001319446733 933877524 /nfs/dbraw/zinc/87/75/24/933877524.db2.gz WMRQEKQZTVZKOR-UHFFFAOYSA-N 1 1 275.417 3.262 20 30 CGEDMO COc1ccc(C[C@@H](C)[N@@H+](C)CCC(C)(C)C#N)cc1 ZINC001319850432 933944913 /nfs/dbraw/zinc/94/49/13/933944913.db2.gz DZBZQVLDDHBMDB-CQSZACIVSA-N 1 1 274.408 3.498 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001319998768 933976719 /nfs/dbraw/zinc/97/67/19/933976719.db2.gz BYSILBAUDLNUBR-QGZVFWFLSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)[C@@H](C)C(C)(C)C ZINC001320019833 933981446 /nfs/dbraw/zinc/98/14/46/933981446.db2.gz DPFDGTOYGFBNPK-CQSZACIVSA-N 1 1 268.445 3.025 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cccc(OC(C)C)c2)C1 ZINC001320037458 933985792 /nfs/dbraw/zinc/98/57/92/933985792.db2.gz FHXCRVOXZICAAC-KRWDZBQOSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)C1CCC=CCC1 ZINC001320085912 933994855 /nfs/dbraw/zinc/99/48/55/933994855.db2.gz SSWIIUQRPKJRJE-INIZCTEOSA-N 1 1 292.467 3.478 20 30 CGEDMO C#CC[N@H+](Cc1ccc(-n2ccnc2)cc1C)CC1CC1 ZINC001320706487 934091666 /nfs/dbraw/zinc/09/16/66/934091666.db2.gz AYHUIODLWDCKEU-UHFFFAOYSA-N 1 1 279.387 3.026 20 30 CGEDMO C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001470075164 937747759 /nfs/dbraw/zinc/74/77/59/937747759.db2.gz UVPCLHMFYXWUKL-ZACQAIPSSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCC[N@H+]1CCCC[C@@H]1CNc1cccc(CC#N)n1 ZINC001321328431 934175015 /nfs/dbraw/zinc/17/50/15/934175015.db2.gz DHUXLZLSENBNAE-MRXNPFEDSA-N 1 1 286.423 3.214 20 30 CGEDMO C=CCC1(NC(=O)[C@H]2CCC[N@H+](C(C)C)C2)CCCC1 ZINC001470149234 937748390 /nfs/dbraw/zinc/74/83/90/937748390.db2.gz CWIOAFCCOYRPRN-HNNXBMFYSA-N 1 1 278.440 3.112 20 30 CGEDMO Cc1ccc(N[NH2+]C2=CC(=O)N3CCCC[C@@H]23)cc1Cl ZINC001321668477 934203321 /nfs/dbraw/zinc/20/33/21/934203321.db2.gz HHCDREDGYMSYJR-AWEZNQCLSA-N 1 1 291.782 3.201 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H](C)c1ccc(C)o1 ZINC001322259448 934264985 /nfs/dbraw/zinc/26/49/85/934264985.db2.gz XJJWANDISOUTDK-DZGCQCFKSA-N 1 1 292.423 3.094 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccsc1 ZINC001322258643 934265972 /nfs/dbraw/zinc/26/59/72/934265972.db2.gz PBJXXTAVAWRAHX-ZDUSSCGKSA-N 1 1 294.464 3.287 20 30 CGEDMO C=CCC1(C(=O)N[C@@H](C)C[N@H+](C)CCC)CCCCC1 ZINC001322307688 934275770 /nfs/dbraw/zinc/27/57/70/934275770.db2.gz RMQDKNIPRKSFJT-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO CCCCCCCNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC001470876263 937758510 /nfs/dbraw/zinc/75/85/10/937758510.db2.gz NGOFLKMSGYDFDJ-INIZCTEOSA-N 1 1 297.487 3.473 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1C ZINC001323177329 934369930 /nfs/dbraw/zinc/36/99/30/934369930.db2.gz JNAYNDBJHZRADZ-JKSUJKDBSA-N 1 1 286.419 3.154 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)C(C)C ZINC001323243876 934375662 /nfs/dbraw/zinc/37/56/62/934375662.db2.gz UIQFQEQSDMNPRT-LSDHHAIUSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CC[N@@H+]2CC/C=C\CC)CCC1 ZINC001323300683 934382614 /nfs/dbraw/zinc/38/26/14/934382614.db2.gz BIIWTJQABYNOSR-KJPDOMRESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCCC(=O)NC[C@@H]1CC[N@@H+]1CCCC(C)(C)C ZINC001323293816 934382790 /nfs/dbraw/zinc/38/27/90/934382790.db2.gz OTLYPQLKIRWGLK-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO CC[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(F)cc1 ZINC001323714293 934420513 /nfs/dbraw/zinc/42/05/13/934420513.db2.gz AFEJTJDQQKQERS-DOMZBBRYSA-N 1 1 259.328 3.310 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@H](C)CCC)C2)C1 ZINC001323844900 934431794 /nfs/dbraw/zinc/43/17/94/934431794.db2.gz MTMAOHYDCPOQFI-SJLPKXTDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[C@]2(CC[N@H+](C(C)C)C2)C1 ZINC001323858006 934432848 /nfs/dbraw/zinc/43/28/48/934432848.db2.gz NACISVSZTMSVGV-SFHVURJKSA-N 1 1 290.451 3.088 20 30 CGEDMO CCCCCCC[NH+]1CC(N(C)C(=O)[C@@H](F)C(C)C)C1 ZINC001323964908 934442902 /nfs/dbraw/zinc/44/29/02/934442902.db2.gz XVURNVGNLSJGDT-HNNXBMFYSA-N 1 1 286.435 3.094 20 30 CGEDMO Cc1cc(F)c(C#N)c(N2CC[N@H+](C)C[C@@H]2CC(C)C)c1 ZINC001472885607 937788083 /nfs/dbraw/zinc/78/80/83/937788083.db2.gz CGWCJXDPAJJJOZ-AWEZNQCLSA-N 1 1 289.398 3.172 20 30 CGEDMO C=CC[N@H+](C[C@@H](C)CN1CCOCC1)CC1CCCCC1 ZINC001473164403 937795134 /nfs/dbraw/zinc/79/51/34/937795134.db2.gz VYIRPAZVGGFZJT-KRWDZBQOSA-N 1 1 294.483 3.023 20 30 CGEDMO C=C(CC)C[N@@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001473166899 937795250 /nfs/dbraw/zinc/79/52/50/937795250.db2.gz FPOUHAKJUWENSC-OKILXGFUSA-N 1 1 282.428 3.282 20 30 CGEDMO C#CC[N@@H+](CC#CC)CC[C@H]1CCc2ccccc21 ZINC001473190061 937796332 /nfs/dbraw/zinc/79/63/32/937796332.db2.gz KFZFJTFTIGPRJB-QGZVFWFLSA-N 1 1 251.373 3.065 20 30 CGEDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1cc(C#N)ccn1 ZINC001473213657 937797400 /nfs/dbraw/zinc/79/74/00/937797400.db2.gz VZOMVIZPNYVILB-KDOFPFPSSA-N 1 1 277.371 3.331 20 30 CGEDMO C[C@@H]1CN(CC2(CC#N)CC2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC001473283666 937800153 /nfs/dbraw/zinc/80/01/53/937800153.db2.gz SKDXDOCUMLLRNS-SJORKVTESA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1C[N@H+](CC2(CC#N)CC2)[C@@H](C)CN1Cc1ccccc1 ZINC001473283666 937800155 /nfs/dbraw/zinc/80/01/55/937800155.db2.gz SKDXDOCUMLLRNS-SJORKVTESA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1C[N@@H+](CC2(CC#N)CC2)[C@@H](C)CN1Cc1ccccc1 ZINC001473283666 937800156 /nfs/dbraw/zinc/80/01/56/937800156.db2.gz SKDXDOCUMLLRNS-SJORKVTESA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1CC1(CC#N)CC1 ZINC001473283663 937800205 /nfs/dbraw/zinc/80/02/05/937800205.db2.gz SKDXDOCUMLLRNS-IAGOWNOFSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1C[N@H+](CC2(CC#N)CC2)[C@H](C)CN1Cc1ccccc1 ZINC001473283663 937800207 /nfs/dbraw/zinc/80/02/07/937800207.db2.gz SKDXDOCUMLLRNS-IAGOWNOFSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1C[N@@H+](CC2(CC#N)CC2)[C@H](C)CN1Cc1ccccc1 ZINC001473283663 937800210 /nfs/dbraw/zinc/80/02/10/937800210.db2.gz SKDXDOCUMLLRNS-IAGOWNOFSA-N 1 1 297.446 3.275 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](C)C[C@H]1CCCC[C@H]1O ZINC001473325949 937801873 /nfs/dbraw/zinc/80/18/73/937801873.db2.gz APUCXZBLMUNXPQ-SJLPKXTDSA-N 1 1 286.419 3.158 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)CCOc1ccc(F)cc1Cl ZINC001473379296 937803688 /nfs/dbraw/zinc/80/36/88/937803688.db2.gz VTONCWVGNQSBKY-UHFFFAOYSA-N 1 1 269.747 3.202 20 30 CGEDMO C[C@@H]1COc2ccccc2C[N@H+]1CCc1ccc(C#N)cc1 ZINC001473373268 937803907 /nfs/dbraw/zinc/80/39/07/937803907.db2.gz RXCBZRDXBRFEMJ-OAHLLOKOSA-N 1 1 292.382 3.384 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](CC)[C@@H]2C)cc1 ZINC001473402385 937804893 /nfs/dbraw/zinc/80/48/93/937804893.db2.gz KDLDLABTQDGGPE-HOCLYGCPSA-N 1 1 284.403 3.117 20 30 CGEDMO C=CC[N@@H+]1CCC[C@](C)(CNC(=O)C2=CCCCCC2)C1 ZINC001324929045 934873524 /nfs/dbraw/zinc/87/35/24/934873524.db2.gz TWMPMAXLRYRUHC-GOSISDBHSA-N 1 1 290.451 3.281 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC2(C)C)C1 ZINC001324958446 934876739 /nfs/dbraw/zinc/87/67/39/934876739.db2.gz SXLHFFKKCXQEMT-YJBOKZPZSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(C)cc2)C1 ZINC001325303893 934902616 /nfs/dbraw/zinc/90/26/16/934902616.db2.gz VHVKMKHINBSDFC-QGZVFWFLSA-N 1 1 297.402 3.162 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001325342553 934905885 /nfs/dbraw/zinc/90/58/85/934905885.db2.gz XLSCMFDPUIZLMD-ULQDDVLXSA-N 1 1 257.377 3.067 20 30 CGEDMO N#Cc1ccccc1OCC[N@H+]1CC[C@@H](C2CCCC2)C1 ZINC001473566720 937812074 /nfs/dbraw/zinc/81/20/74/937812074.db2.gz BXSVMZOXQPEGAK-QGZVFWFLSA-N 1 1 284.403 3.449 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CCC)C(C)C ZINC001325925387 934939084 /nfs/dbraw/zinc/93/90/84/934939084.db2.gz ZRWZHWZCHGKBKO-GVDBMIGSSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)CC(C)C ZINC001325923149 934939419 /nfs/dbraw/zinc/93/94/19/934939419.db2.gz VGXGZPZXLXSVLD-JKSUJKDBSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@H]2CCN(c3ccccc3)C2=O)C1 ZINC001473628074 937814822 /nfs/dbraw/zinc/81/48/22/937814822.db2.gz ZOOQEGVMHPXPKF-RDJZCZTQSA-N 1 1 284.403 3.080 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC001473659471 937815038 /nfs/dbraw/zinc/81/50/38/937815038.db2.gz HWSHWLKJVCJURS-TZMCWYRMSA-N 1 1 261.356 3.477 20 30 CGEDMO CCOc1ccc(C[N@@H+](C)[C@H]2CC[C@H](C#N)C2)cc1OC ZINC001326241195 934962378 /nfs/dbraw/zinc/96/23/78/934962378.db2.gz WGBOAYJGQVOAMR-ZFWWWQNUSA-N 1 1 288.391 3.218 20 30 CGEDMO Cc1ncsc1CCC[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC001473707000 937818226 /nfs/dbraw/zinc/81/82/26/937818226.db2.gz GJZYIWGBBAGFLP-OLZOCXBDSA-N 1 1 263.410 3.008 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C(CC)CC)CC1 ZINC001327100474 935029317 /nfs/dbraw/zinc/02/93/17/935029317.db2.gz SSXVEPYWLIVKLS-MRXNPFEDSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C(CC)CC)CC1 ZINC001327100472 935029937 /nfs/dbraw/zinc/02/99/37/935029937.db2.gz SSXVEPYWLIVKLS-INIZCTEOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]1C[N@H+](C)CCCC(C)C ZINC001328707089 935161647 /nfs/dbraw/zinc/16/16/47/935161647.db2.gz KMFHXAWRJJBUBI-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]1C[N@H+](C)CCCCC ZINC001328738708 935163811 /nfs/dbraw/zinc/16/38/11/935163811.db2.gz XMZDLVFJYLVQGQ-MRXNPFEDSA-N 1 1 280.456 3.456 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)C/C=C(/C)C=C ZINC001328753023 935166660 /nfs/dbraw/zinc/16/66/60/935166660.db2.gz OCGJGMHRAWYUED-ZFOVBUMHSA-N 1 1 290.451 3.398 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@H]2C[N@@H+](C)C/C=C/Cl)C1 ZINC001328763953 935167402 /nfs/dbraw/zinc/16/74/02/935167402.db2.gz HEPNHJDKBKTQJL-DYLGSBMWSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@H](C)[N@@H+](C)Cc1ccsc1 ZINC001329515299 935221715 /nfs/dbraw/zinc/22/17/15/935221715.db2.gz MHRLZGLPJZGOPA-KBPBESRZSA-N 1 1 294.464 3.287 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)C1CC2(CCC2)C1 ZINC001329519545 935223159 /nfs/dbraw/zinc/22/31/59/935223159.db2.gz ZAKCVONBFNZZSC-LSDHHAIUSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)C[C@@H]1CC=CCC1 ZINC001329524904 935224589 /nfs/dbraw/zinc/22/45/89/935224589.db2.gz UGQMLDOZGHQZCJ-JKSUJKDBSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)CNC(=O)[C@@H](CC)CC1CCCC1 ZINC001329573942 935229604 /nfs/dbraw/zinc/22/96/04/935229604.db2.gz NVTQTOFMZFVQII-ZBFHGGJFSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](CC)CCCC ZINC001329908437 935253313 /nfs/dbraw/zinc/25/33/13/935253313.db2.gz JZBCEPFTJCWRSS-SJORKVTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@@H](C=C)CC ZINC001329937125 935256422 /nfs/dbraw/zinc/25/64/22/935256422.db2.gz LRLKSEWGUJOBFI-JKSUJKDBSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)/C=C(/C)CC)C[C@H]2C1 ZINC001330453286 935288440 /nfs/dbraw/zinc/28/84/40/935288440.db2.gz JFPIXBRHSUJGEK-DYCFVZSFSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)CC[C@H](C)CC)C[C@@]2(C)C1 ZINC001330539326 935294333 /nfs/dbraw/zinc/29/43/33/935294333.db2.gz UWMHRMVZYIFUKO-NXHRZFHOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C1CCN(C(=O)[C@@H](C)CC)CC1 ZINC001331000093 935340612 /nfs/dbraw/zinc/34/06/12/935340612.db2.gz KYTAYENTNIERNZ-LSDHHAIUSA-N 1 1 280.456 3.310 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)C2CCCCC2)CC1 ZINC001331000253 935340785 /nfs/dbraw/zinc/34/07/85/935340785.db2.gz NIGYMOQULMGJFQ-UHFFFAOYSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CCC(=O)N1CCC([N@H+](C)CCCCC)CC1 ZINC001331028276 935343600 /nfs/dbraw/zinc/34/36/00/935343600.db2.gz DTFDSTAQXQAXBC-UHFFFAOYSA-N 1 1 280.456 3.456 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1CCC[N@H+](CC/C=C/CC)[C@@H]1C ZINC001332177793 935446154 /nfs/dbraw/zinc/44/61/54/935446154.db2.gz PXRJBFYIXJVWBY-WPLBAPSMSA-N 1 1 290.451 3.115 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](C)CCc1ccccn1 ZINC001332697870 935483490 /nfs/dbraw/zinc/48/34/90/935483490.db2.gz GALRUYOPHTYTIV-UHFFFAOYSA-N 1 1 279.387 3.245 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)CC2CC(C)(C)C2)CC1 ZINC001333395593 935532767 /nfs/dbraw/zinc/53/27/67/935532767.db2.gz UBYVDQSFSZTUKW-UHFFFAOYSA-N 1 1 290.451 3.137 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1cncc(-c2cc(F)ccc2OC)c1 ZINC001334206910 936091076 /nfs/dbraw/zinc/09/10/76/936091076.db2.gz LOKGKFPJPDQXSS-ZDUSSCGKSA-N 1 1 298.361 3.350 20 30 CGEDMO COCC[N@@H+](CC1CCC(C#N)CC1)[C@H]1CC[C@H](C)C1 ZINC001334874029 936119925 /nfs/dbraw/zinc/11/99/25/936119925.db2.gz MIQDJOYWXZIAOD-OTBWCIGPSA-N 1 1 278.440 3.453 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC[NH2+][C@@H](c3ccc(CC)cc3)C2)C1 ZINC001335945413 936167830 /nfs/dbraw/zinc/16/78/30/936167830.db2.gz KSXXATDUQQPKKF-QGZVFWFLSA-N 1 1 298.430 3.078 20 30 CGEDMO N#CCC1(C[N@@H+]2CCCC[C@H]2Cc2ccc(O)cc2)CC1 ZINC001473875348 937826542 /nfs/dbraw/zinc/82/65/42/937826542.db2.gz PAGIABOPVZUBMF-INIZCTEOSA-N 1 1 284.403 3.483 20 30 CGEDMO CSc1ccc(C[NH2+]Cc2ccco2)cc1C#N ZINC001474266187 937847238 /nfs/dbraw/zinc/84/72/38/937847238.db2.gz NZIJXMQOHNCBMN-UHFFFAOYSA-N 1 1 258.346 3.163 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC001479092035 937916073 /nfs/dbraw/zinc/91/60/73/937916073.db2.gz FESVRUFIVQNVPD-HNNXBMFYSA-N 1 1 295.471 3.010 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(CC)CCC1 ZINC001479233785 937917813 /nfs/dbraw/zinc/91/78/13/937917813.db2.gz BQZCSXORKGVIGC-JKSUJKDBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CCCC#CC ZINC001479235437 937917958 /nfs/dbraw/zinc/91/79/58/937917958.db2.gz ISXJKDPNUISPOL-SJORKVTESA-N 1 1 290.451 3.067 20 30 CGEDMO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](CC)C(C)(C)C ZINC001479255139 937918152 /nfs/dbraw/zinc/91/81/52/937918152.db2.gz KQOXOFCDNDHABN-HZPDHXFCSA-N 1 1 292.467 3.005 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](CC)C(C)(C)C ZINC001479255139 937918153 /nfs/dbraw/zinc/91/81/53/937918153.db2.gz KQOXOFCDNDHABN-HZPDHXFCSA-N 1 1 292.467 3.005 20 30 CGEDMO CC#CCCCC(=O)N[C@H]1CC[N@@H+](CC=C(C)C)[C@@H]1CC ZINC001479640154 937923295 /nfs/dbraw/zinc/92/32/95/937923295.db2.gz AGVLBJJXQMCITL-DLBZAZTESA-N 1 1 290.451 3.115 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)CCC)[C@H]1C ZINC001479695485 937924106 /nfs/dbraw/zinc/92/41/06/937924106.db2.gz NOFOOHOISXRCPJ-CABCVRRESA-N 1 1 266.429 3.112 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2(CC(C)C)CCC2)[C@H]1C ZINC001479712724 937924349 /nfs/dbraw/zinc/92/43/49/937924349.db2.gz OIAVRNNKQBDCPJ-CVEARBPZSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C2(CC)CC2)CC(C)(C)C1 ZINC001479747337 937925187 /nfs/dbraw/zinc/92/51/87/937925187.db2.gz ZADKKRTZXAOBBA-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)/C(C)=C/CC)CC(C)(C)C1 ZINC001479743506 937925303 /nfs/dbraw/zinc/92/53/03/937925303.db2.gz CACGKGAGFBDGKI-UJMHRVFCSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001479848889 937927135 /nfs/dbraw/zinc/92/71/35/937927135.db2.gz LLNFMCYAKUUCCW-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC001479961768 937930032 /nfs/dbraw/zinc/93/00/32/937930032.db2.gz LCRUGTPDPUJXFS-AEFFLSMTSA-N 1 1 298.430 3.221 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC001479962607 937930347 /nfs/dbraw/zinc/93/03/47/937930347.db2.gz UCYMQBZISBSKJY-HOCLYGCPSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)C=C(C)C)C1 ZINC001480072274 937931811 /nfs/dbraw/zinc/93/18/11/937931811.db2.gz QBVFOPSZBJMOCW-IRXDYDNUSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@@H](C[N@@H+](C)CCCF)C1 ZINC001480082307 937932061 /nfs/dbraw/zinc/93/20/61/937932061.db2.gz UJWREQCUOIKPCL-HNNXBMFYSA-N 1 1 298.446 3.119 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)C/C=C(/C)C=C)C1 ZINC001480082168 937932336 /nfs/dbraw/zinc/93/23/36/937932336.db2.gz NTBLIGQWNOVWDO-RNIVLKNTSA-N 1 1 290.451 3.255 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC001480260404 937935215 /nfs/dbraw/zinc/93/52/15/937935215.db2.gz WYGPIKPORXPMHV-BRWVUGGUSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)CCC2(C)CC2)C1 ZINC001480266305 937935522 /nfs/dbraw/zinc/93/55/22/937935522.db2.gz XVWPXYREIAOBMH-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](C)CCC ZINC001480311049 937936357 /nfs/dbraw/zinc/93/63/57/937936357.db2.gz CMROHKVKBHOMRW-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCCC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001480382528 937937729 /nfs/dbraw/zinc/93/77/29/937937729.db2.gz JYEWDFMZUWLQBH-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CC)C1 ZINC001480371192 937937732 /nfs/dbraw/zinc/93/77/32/937937732.db2.gz AEZFQJBOZMDFBU-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2(CC)CCCC2)C1 ZINC001480385706 937938057 /nfs/dbraw/zinc/93/80/57/937938057.db2.gz GKVDSVOFMQAUCM-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)C[C@@H](C)SC ZINC001480820017 937944798 /nfs/dbraw/zinc/94/47/98/937944798.db2.gz DYSSVKQPLQSQNH-HUUCEWRRSA-N 1 1 298.496 3.065 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1CCCNC(=O)C12CCC(CC1)C2 ZINC001480826149 937945233 /nfs/dbraw/zinc/94/52/33/937945233.db2.gz NLQXEXQKQLTVKJ-UPTPFMHGSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1ccoc1C ZINC001493073857 937946572 /nfs/dbraw/zinc/94/65/72/937946572.db2.gz LEFLCGDGEWXVKY-ZFWWWQNUSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](CNC(=O)CC2(C)CCCC2)C1 ZINC001493202711 937948463 /nfs/dbraw/zinc/94/84/63/937948463.db2.gz YOCHFATZFKJDKX-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)CC[N@@H+](CCNC(=O)C1CCC(F)CC1)C1CC1 ZINC001493412070 937950166 /nfs/dbraw/zinc/95/01/66/937950166.db2.gz KLASOOLFMKKLGH-UHFFFAOYSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CC[N@H+](CCNC(=O)C[C@@H](C)CC(C)(C)C)C1CC1 ZINC001493414614 937950187 /nfs/dbraw/zinc/95/01/87/937950187.db2.gz DNRZQBVKNJILQP-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)CC(C)(C)C)C(C)C ZINC001493852381 937951441 /nfs/dbraw/zinc/95/14/41/937951441.db2.gz VADBNJBITYZCNP-UHFFFAOYSA-N 1 1 268.445 3.215 20 30 CGEDMO C=C(Cl)C[N@H+](CCCNC(=O)[C@@H](C)C1CC1)C(C)C ZINC001493856030 937951506 /nfs/dbraw/zinc/95/15/06/937951506.db2.gz SRWXOCYBRPHQET-ZDUSSCGKSA-N 1 1 286.847 3.002 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)c1cc(C)cs1)C(C)C ZINC001493858770 937951733 /nfs/dbraw/zinc/95/17/33/937951733.db2.gz VKYYHVVNKDWDPD-UHFFFAOYSA-N 1 1 294.464 3.463 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)[C@H]1CCC1(C)C)C(C)C ZINC001493866617 937951799 /nfs/dbraw/zinc/95/17/99/937951799.db2.gz HAJLNFYLEVEDHE-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO CC#CC[N@@H+](CCCNC(=O)[C@@H](C)C1CCCC1)C(C)C ZINC001493874801 937951822 /nfs/dbraw/zinc/95/18/22/937951822.db2.gz IIJWTVGSPPCOTJ-INIZCTEOSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CCCCCC(=O)N1CC[C@H](C[N@H+](C)C[C@@H](C)CC)C1 ZINC001494125239 937953261 /nfs/dbraw/zinc/95/32/61/937953261.db2.gz MWEGRWYMUMUASZ-DLBZAZTESA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)CC2(C)CCCC2)C1 ZINC001494128026 937953333 /nfs/dbraw/zinc/95/33/33/937953333.db2.gz XROPNKSGNVVDJS-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC[C@@H](C[N@H+](C)CCCC)C1 ZINC001494154235 937953764 /nfs/dbraw/zinc/95/37/64/937953764.db2.gz MTQHIEADCRQDRX-HOTGVXAUSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)C2(CC=C)CCCC2)C1 ZINC001494332493 937954243 /nfs/dbraw/zinc/95/42/43/937954243.db2.gz FNKXDEHMKZEUDG-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCCCC[NH+]1CC(NC(=O)C2=CCCCCC2)C1 ZINC001494375706 937954689 /nfs/dbraw/zinc/95/46/89/937954689.db2.gz QRWACFTYDLERMU-UHFFFAOYSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC(C)(C)CC ZINC001494656519 937955789 /nfs/dbraw/zinc/95/57/89/937955789.db2.gz UMRPAHGFRVHFAI-JYJNAYRXSA-N 1 1 292.467 3.453 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)CC(C)C ZINC001494676146 937955823 /nfs/dbraw/zinc/95/58/23/937955823.db2.gz VHELNPMRLJXGEL-ULQDDVLXSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[N@H+](C[C@H](C)CC(C)C)C1 ZINC001494755938 937955882 /nfs/dbraw/zinc/95/58/82/937955882.db2.gz CZYGUECOMIUNOC-HZPDHXFCSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@](C)(CC)CCC)C1 ZINC001494782828 937956405 /nfs/dbraw/zinc/95/64/05/937956405.db2.gz KNBRACDDGARDMD-WBVHZDCISA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)CCC)C1 ZINC001494846583 937956536 /nfs/dbraw/zinc/95/65/36/937956536.db2.gz IDQRGGWVCFEJNX-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)C1(C)CCCCCC1 ZINC001496718224 937963678 /nfs/dbraw/zinc/96/36/78/937963678.db2.gz KRISHEGXEJLOFC-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H]2CN(C(=O)CC)CC[C@H]21 ZINC001496851753 937964520 /nfs/dbraw/zinc/96/45/20/937964520.db2.gz SMULSLYFNZBVKG-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(CCC)CC3)CC[C@@H]21 ZINC001496865708 937964543 /nfs/dbraw/zinc/96/45/43/937964543.db2.gz YNARAWXNXBOKEE-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)c1cccc(F)c1C ZINC001498288899 937968993 /nfs/dbraw/zinc/96/89/93/937968993.db2.gz OKKHVSAVWTXRLS-ZDUSSCGKSA-N 1 1 292.398 3.150 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)CCc1ccccc1 ZINC001498435698 937969420 /nfs/dbraw/zinc/96/94/20/937969420.db2.gz FEZGVOPNCYDIGR-INIZCTEOSA-N 1 1 288.435 3.022 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)CCCc1ccccc1 ZINC001498394142 937969658 /nfs/dbraw/zinc/96/96/58/937969658.db2.gz JPYHRDWJDBXGHI-MRXNPFEDSA-N 1 1 288.435 3.022 20 30 CGEDMO C=CCC1(C(=O)N[C@@H](C)C[N@H+](C)C[C@H](F)CC)CCCC1 ZINC001498468624 937969964 /nfs/dbraw/zinc/96/99/64/937969964.db2.gz DMRUKDCPZNKYEV-LSDHHAIUSA-N 1 1 298.446 3.308 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@H]1CC[N@@H+]1CC/C=C\CC ZINC001499059052 937972251 /nfs/dbraw/zinc/97/22/51/937972251.db2.gz ZNESFKSWCPMGTF-KUBOQAQJSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)C(C)(CC)CC ZINC001499123911 937972717 /nfs/dbraw/zinc/97/27/17/937972717.db2.gz FQFWFQUMPHHQPN-GJZGRUSLSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CC[N@@H+]2CC[C@H](C)F)CCCC1 ZINC001499139390 937972871 /nfs/dbraw/zinc/97/28/71/937972871.db2.gz XCHQLNMKCOQSPJ-GJZGRUSLSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@@]2(CC[N@H+](CCC(=C)C)C2)C1 ZINC001499604581 937973872 /nfs/dbraw/zinc/97/38/72/937973872.db2.gz WDWNGOJCEGPLCL-GOSISDBHSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCCC(=O)N1CC[C@@]2(CC[N@H+](CCCCCF)C2)C1 ZINC001499598435 937973876 /nfs/dbraw/zinc/97/38/76/937973876.db2.gz XRZMKZMURXKRCY-QGZVFWFLSA-N 1 1 296.430 3.017 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[C@@]2(CC[N@@H+](CC(=C)C)C2)C1 ZINC001499614878 937974087 /nfs/dbraw/zinc/97/40/87/937974087.db2.gz VAIWRDOHPBOXMY-SJLPKXTDSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)CC2CCC2)C1 ZINC001500203925 937976326 /nfs/dbraw/zinc/97/63/26/937976326.db2.gz JMKRRCKERUXVOH-RHSMWYFYSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@](C)(CNC(=O)C2CCC2)C1 ZINC001500469164 937977665 /nfs/dbraw/zinc/97/76/65/937977665.db2.gz NETHHDWAWROZBD-CRAIPNDOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@]1(C)CCC[N@H+](C[C@@H](F)CC)C1 ZINC001500497868 937977937 /nfs/dbraw/zinc/97/79/37/937977937.db2.gz BTRPZQSXEGYRNX-DOTOQJQBSA-N 1 1 298.446 3.309 20 30 CGEDMO C=C(C)CCC(=O)N1C[C@@H]2C[N@@H+](CC(CC)CC)C[C@@H]2C1 ZINC001501221738 937979373 /nfs/dbraw/zinc/97/93/73/937979373.db2.gz JFOFWRVRUDWJJG-CALCHBBNSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)/C=C/C(C)(C)C ZINC001501384048 937979446 /nfs/dbraw/zinc/97/94/46/937979446.db2.gz ZAOVSUNZLQCFPM-ZGWZEZEDSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](CC)CCC)[C@@H]2C1 ZINC001501424718 937979465 /nfs/dbraw/zinc/97/94/65/937979465.db2.gz GHJUOBMTQRTZJN-IXDOHACOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC1(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CCC)CCC1 ZINC001501399713 937979517 /nfs/dbraw/zinc/97/95/17/937979517.db2.gz KHBQCNCUNTZVPL-JKSUJKDBSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2ccco2)CC1 ZINC001502105221 937981011 /nfs/dbraw/zinc/98/10/11/937981011.db2.gz QOLKTIMLGUESCF-LSDHHAIUSA-N 1 1 290.407 3.219 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)CCC)CC1 ZINC001502116543 937981161 /nfs/dbraw/zinc/98/11/61/937981161.db2.gz MAALYLZWGNYEOF-TZMCWYRMSA-N 1 1 286.847 3.146 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCN(C)C(=O)c1ccsc1 ZINC001502158364 937981711 /nfs/dbraw/zinc/98/17/11/937981711.db2.gz PBFZAGZXLJBHSM-AWEZNQCLSA-N 1 1 294.464 3.497 20 30 CGEDMO C=CCCC[N@H+](C)CCCN(C)C(=O)c1ccc(C)cc1 ZINC001502392436 937982126 /nfs/dbraw/zinc/98/21/26/937982126.db2.gz HMICXKQJKOMIHU-UHFFFAOYSA-N 1 1 288.435 3.355 20 30 CGEDMO C=C(C)C[N@@H+]1Cc2ccc(CNC(=O)[C@H](C)C3CC3)cc2C1 ZINC001502648668 937982588 /nfs/dbraw/zinc/98/25/88/937982588.db2.gz QMGHKGYIJKKUEE-CQSZACIVSA-N 1 1 298.430 3.241 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)CCC)C2 ZINC001502546204 937982627 /nfs/dbraw/zinc/98/26/27/937982627.db2.gz PUMWCSOBNMFRHW-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C=C(CC)CC)C(C)(C)C1 ZINC001502823924 937983381 /nfs/dbraw/zinc/98/33/81/937983381.db2.gz QNLMKHGMQZQGBM-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[N@H+](CC(C)C)CC1(C)C ZINC001502828481 937983498 /nfs/dbraw/zinc/98/34/98/937983498.db2.gz AVAIJAJMEDEXQE-HNNXBMFYSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@H]1CC[N@H+](CCC)CC1(C)C ZINC001502832712 937983704 /nfs/dbraw/zinc/98/37/04/937983704.db2.gz XUVBMXWRNFZOAU-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C/C=C(\C)C=C)C[C@H]1C ZINC001502970055 937983971 /nfs/dbraw/zinc/98/39/71/937983971.db2.gz RBXRIVPJSLQLBP-HVJILKDESA-N 1 1 276.424 3.054 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(CC)CCC2)C[C@@H]1C ZINC001502972556 937984094 /nfs/dbraw/zinc/98/40/94/937984094.db2.gz YVPZUHYSRAODJZ-KBPBESRZSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(CC)CCC2)C[C@@H]1C ZINC001502972556 937984095 /nfs/dbraw/zinc/98/40/95/937984095.db2.gz YVPZUHYSRAODJZ-KBPBESRZSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)C1CCC=CCC1 ZINC001505460841 937985826 /nfs/dbraw/zinc/98/58/26/937985826.db2.gz BIBNKMURQALMGJ-QGZVFWFLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)[C@]1(C)CC=CCC1 ZINC001505925431 937988118 /nfs/dbraw/zinc/98/81/18/937988118.db2.gz WMGZBPGTRIAGIO-DOTOQJQBSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001505924153 937988133 /nfs/dbraw/zinc/98/81/33/937988133.db2.gz JNGPXZBRPSDLSO-CVEARBPZSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)c1cccc2ccccc21 ZINC001506049460 937989067 /nfs/dbraw/zinc/98/90/67/937989067.db2.gz BJVXFEBRKFZEKK-HNNXBMFYSA-N 1 1 296.414 3.466 20 30 CGEDMO C#CCC[N@H+](C)[C@H](C)CNC(=O)C[C@@H]1CCCCC1(C)C ZINC001506071712 937989220 /nfs/dbraw/zinc/98/92/20/937989220.db2.gz FUUZTFPTTALBSQ-CVEARBPZSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCCCC(C)C ZINC001506575047 937990833 /nfs/dbraw/zinc/99/08/33/937990833.db2.gz JMWBNWVWNIJBPM-QGZVFWFLSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC12CC2 ZINC001506576293 937990981 /nfs/dbraw/zinc/99/09/81/937990981.db2.gz RUQSHZUMNNORKR-JKSUJKDBSA-N 1 1 290.451 3.114 20 30 CGEDMO C#CC[N@H+]1C[C@H](NC(=O)C(C)(C)CCCCC)C(C)(C)C1 ZINC001506754609 937991907 /nfs/dbraw/zinc/99/19/07/937991907.db2.gz WVWCALFXZNKVAV-HNNXBMFYSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CC[N@@H+]1C[C@H](NC(=O)C(C)(C)CCCCC)C(C)(C)C1 ZINC001506754609 937991908 /nfs/dbraw/zinc/99/19/08/937991908.db2.gz WVWCALFXZNKVAV-HNNXBMFYSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)CCC3CCCC3)CCC[C@H]12 ZINC001507336338 937995162 /nfs/dbraw/zinc/99/51/62/937995162.db2.gz RPUQHBKZKYCOOF-WMZOPIPTSA-N 1 1 290.451 3.256 20 30 CGEDMO C=C/C(C)=C/CC(=O)N[C@@H]1CCC[N@@H+](CC(=C)C)[C@H]1C ZINC001507381639 937995615 /nfs/dbraw/zinc/99/56/15/937995615.db2.gz JUENCULYWASLSX-IYSULOHHSA-N 1 1 276.424 3.054 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](CCCCCF)[C@H]1C ZINC001507386637 937995932 /nfs/dbraw/zinc/99/59/32/937995932.db2.gz VJAINDSICLWNHX-GJZGRUSLSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CNC(=O)C(C)(C)CC=C)CC1 ZINC001508224532 937998709 /nfs/dbraw/zinc/99/87/09/937998709.db2.gz ZJFSUSJJTGFVRU-UHFFFAOYSA-N 1 1 290.451 3.303 20 30 CGEDMO C=CC[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CCC)C1 ZINC001557407877 938209796 /nfs/dbraw/zinc/20/97/96/938209796.db2.gz UHGSXIIKHXVGQZ-HOTGVXAUSA-N 1 1 278.440 3.066 20 30 CGEDMO Cc1cc(NC[C@H]2CC[N@H+]2C2CCCCC2)ncc1C#N ZINC001559238380 938223264 /nfs/dbraw/zinc/22/32/64/938223264.db2.gz HQBXEFXOONZHKZ-MRXNPFEDSA-N 1 1 284.407 3.081 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001559519253 938228143 /nfs/dbraw/zinc/22/81/43/938228143.db2.gz XKKGLIGOGXFQQF-CABCVRRESA-N 1 1 294.439 3.025 20 30 CGEDMO C[C@H]([NH2+]Cc1cncc(C#N)c1)c1cccc(F)c1F ZINC001559703222 938233235 /nfs/dbraw/zinc/23/32/35/938233235.db2.gz PTDDPTQHJDBIDD-JTQLQIEISA-N 1 1 273.286 3.082 20 30 CGEDMO C=CC[C@@H](C)[N@@H+]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001559765347 938234844 /nfs/dbraw/zinc/23/48/44/938234844.db2.gz YRBOZENDCWBRNQ-KFWWJZLASA-N 1 1 294.439 3.425 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](CC)C(=O)N(C)c1ccc(C)cc1 ZINC001560015069 938241792 /nfs/dbraw/zinc/24/17/92/938241792.db2.gz RSCKOFMEFIISEI-INIZCTEOSA-N 1 1 274.408 3.244 20 30 CGEDMO C#CC[N@H+](CCC(=O)Nc1cccc(Cl)c1)C(C)C ZINC001560164296 938245790 /nfs/dbraw/zinc/24/57/90/938245790.db2.gz SGRFXDJAHZKDPN-UHFFFAOYSA-N 1 1 278.783 3.012 20 30 CGEDMO C#CC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C(C)C ZINC001560164702 938245907 /nfs/dbraw/zinc/24/59/07/938245907.db2.gz JHZGLCGIHDDIPS-UHFFFAOYSA-N 1 1 279.305 3.401 20 30 CGEDMO C#CC[N@H+](C[C@@H]1CCO[C@@H]1C)[C@@H]1CCCc2ccccc21 ZINC001560171992 938245910 /nfs/dbraw/zinc/24/59/10/938245910.db2.gz LDBXTWLJXMDZLS-HHXXYDBFSA-N 1 1 283.415 3.424 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1cc(C(=O)OC)oc1CC ZINC001560204553 938247029 /nfs/dbraw/zinc/24/70/29/938247029.db2.gz PMMIHALEKMVKOS-UHFFFAOYSA-N 1 1 279.380 3.417 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCc2cc(O)ccc2C1 ZINC001560238579 938248282 /nfs/dbraw/zinc/24/82/82/938248282.db2.gz SBWSZGBOABSWEO-UHFFFAOYSA-N 1 1 258.365 3.080 20 30 CGEDMO CC(C)(C)[C@H]1CC[N@H+](Cc2cccc(C#N)c2F)CCO1 ZINC001560235201 938248619 /nfs/dbraw/zinc/24/86/19/938248619.db2.gz CJNDCNNWLWWBBV-OAHLLOKOSA-N 1 1 290.382 3.334 20 30 CGEDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2cccc(C#N)c2F)CCO1 ZINC001560235201 938248620 /nfs/dbraw/zinc/24/86/20/938248620.db2.gz CJNDCNNWLWWBBV-OAHLLOKOSA-N 1 1 290.382 3.334 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H](C)C[N@H+](C)CC/C=C/CC)C1 ZINC001498374655 957717441 /nfs/dbraw/zinc/71/74/41/957717441.db2.gz AADUCCYNCKKPCC-MVGZEHJDSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)/C=C(/C)CC)CC1 ZINC001486506851 957831854 /nfs/dbraw/zinc/83/18/54/957831854.db2.gz QKZKMYXJSMYTIV-UGEDRFTOSA-N 1 1 290.451 3.446 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001596319170 960536702 /nfs/dbraw/zinc/53/67/02/960536702.db2.gz HBTZIKNNQNTIKW-KRWDZBQOSA-N 1 1 298.446 3.308 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCNC(=O)[C@H]1CCC[C@H]1CC ZINC001566488162 960559840 /nfs/dbraw/zinc/55/98/40/960559840.db2.gz IUIWQEDZIWDPIX-CVEARBPZSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](F)CC1CCCCC1 ZINC001565831284 960590910 /nfs/dbraw/zinc/59/09/10/960590910.db2.gz DOCZGAXKILJRTF-HOTGVXAUSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](F)CC1CCCCC1 ZINC001565831284 960590920 /nfs/dbraw/zinc/59/09/20/960590920.db2.gz DOCZGAXKILJRTF-HOTGVXAUSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](C)CCC)C1 ZINC001567695828 960598999 /nfs/dbraw/zinc/59/89/99/960598999.db2.gz GSXYANRROKZPKM-GXTWGEPZSA-N 1 1 286.847 3.003 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@H](C[N@@H+](C)CC(C)C)C1 ZINC001567736821 960600699 /nfs/dbraw/zinc/60/06/99/960600699.db2.gz PSGKQTRKPUTMNK-WBVHZDCISA-N 1 1 280.456 3.025 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@@H+](CC2CCC2)[C@@H]1CC ZINC001566021567 960613338 /nfs/dbraw/zinc/61/33/38/960613338.db2.gz ICABLGHBTZNVHE-LZLYRXPVSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C=C)cc1 ZINC001565828334 960831398 /nfs/dbraw/zinc/83/13/98/960831398.db2.gz MKSSSQRYXRUMIX-SFHVURJKSA-N 1 1 298.430 3.442 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(CC)CCCC1 ZINC001565829347 960833930 /nfs/dbraw/zinc/83/39/30/960833930.db2.gz DQTIRAQNGLHMNX-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[N@H+](CC(C)C)CC(C)(C)C1 ZINC001566127847 960888062 /nfs/dbraw/zinc/88/80/62/960888062.db2.gz IGKAETWANBYMKX-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)C(C)C)CC(C)(C)C1 ZINC001566131143 960892007 /nfs/dbraw/zinc/89/20/07/960892007.db2.gz HXEVXMGKLGTKRD-HZPDHXFCSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)C1(F)CCCC1 ZINC001566468565 960936537 /nfs/dbraw/zinc/93/65/37/960936537.db2.gz DYKZKGHRICWYOC-AWEZNQCLSA-N 1 1 284.419 3.062 20 30 CGEDMO C=C(C)CC[N@@H+](CCCNC(=O)[C@H]1CC[C@@H](F)C1)C1CC1 ZINC001566595888 960963378 /nfs/dbraw/zinc/96/33/78/960963378.db2.gz OPPPOOSOACXOTI-LSDHHAIUSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](F)CC2CCCCC2)C1 ZINC001566633103 960970441 /nfs/dbraw/zinc/97/04/41/960970441.db2.gz OFSFWGXWRHXLRC-HZPDHXFCSA-N 1 1 296.430 3.062 20 30 CGEDMO C#CCCCCC(=O)NC[C@@H]1CCC[N@H+](C[C@@H](C)CC)C1 ZINC001566868383 961036661 /nfs/dbraw/zinc/03/66/61/961036661.db2.gz JJDKHMHCJCPQIP-IRXDYDNUSA-N 1 1 292.467 3.054 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@H]2CCC[N@H+](CC=C(C)C)C2)C1 ZINC001566879043 961046518 /nfs/dbraw/zinc/04/65/18/961046518.db2.gz XJULBMITEVAOSN-MRXNPFEDSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001566963635 961071018 /nfs/dbraw/zinc/07/10/18/961071018.db2.gz XDDAUZLQDZZOBU-GJZGRUSLSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)[C@H]1CC=CCC1 ZINC001567326709 961277549 /nfs/dbraw/zinc/27/75/49/961277549.db2.gz SLMHLVRPBHJUHR-HOTGVXAUSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC(C)(C)C(=O)NCC[N@H+](CC)CC1CC(C)(C)C1 ZINC001567345037 961287823 /nfs/dbraw/zinc/28/78/23/961287823.db2.gz FPCPFNCEXXTHNE-UHFFFAOYSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)C2(C)CC(=C)C2)C1 ZINC001567410105 961321604 /nfs/dbraw/zinc/32/16/04/961321604.db2.gz VKNWVZVDYDVOQM-CVEARBPZSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C=C)c1ccccc1 ZINC001567391464 961329747 /nfs/dbraw/zinc/32/97/47/961329747.db2.gz PLOQPLBTDOOIKZ-ROUUACIJSA-N 1 1 298.430 3.113 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)C1(C2CCC2)CCC1 ZINC001567428215 961336830 /nfs/dbraw/zinc/33/68/30/961336830.db2.gz UXCRZEBNWCXKGM-UHFFFAOYSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)[C@H](C)c1ccsc1)C1CC1 ZINC001567448923 961349300 /nfs/dbraw/zinc/34/93/00/961349300.db2.gz KTILMLDRTSWCMP-CYBMUJFWSA-N 1 1 292.448 3.008 20 30 CGEDMO C=CCCC[N@@H+](CCNC(=O)[C@@H]1CC12CCCC2)C1CC1 ZINC001567452086 961352698 /nfs/dbraw/zinc/35/26/98/961352698.db2.gz LNDFVTZPMJEMGD-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)c1cc(C)ccc1F)C(C)C ZINC001567649960 961375467 /nfs/dbraw/zinc/37/54/67/961375467.db2.gz YZSXWWZBDBHRSC-UHFFFAOYSA-N 1 1 292.398 3.150 20 30 CGEDMO C=CCCCC(=O)N(CCC)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001567688307 961389202 /nfs/dbraw/zinc/38/92/02/961389202.db2.gz KUDAGWHQJAEEEH-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ccsc2)C1 ZINC001567679894 961400349 /nfs/dbraw/zinc/40/03/49/961400349.db2.gz WBNGVZSIFZDUEV-OAHLLOKOSA-N 1 1 292.448 3.251 20 30 CGEDMO C=CCCCC(=O)N1CC[C@@H](C[N@@H+](C)CC=C(C)C)C1 ZINC001567737192 961413593 /nfs/dbraw/zinc/41/35/93/961413593.db2.gz VKDTUKBPDUQLFA-INIZCTEOSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CC/C=C/CC)C1 ZINC001567765313 961422569 /nfs/dbraw/zinc/42/25/69/961422569.db2.gz RKYTYCFLCFSWSR-MVGZEHJDSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@](C)(C=C)CC)C1 ZINC001567776615 961428032 /nfs/dbraw/zinc/42/80/32/961428032.db2.gz FEYZUOZYVHLNQN-DOTOQJQBSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)CC(C)(C)C ZINC001567866761 961440447 /nfs/dbraw/zinc/44/04/47/961440447.db2.gz VCDHAIOLASHXQA-GJZGRUSLSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)C2CC3(CCC3)C2)C1 ZINC001567919192 961464403 /nfs/dbraw/zinc/46/44/03/961464403.db2.gz WMHUYOJAJHTVEF-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC1(CC(=O)N(C)[C@H]2CC[N@H+](CCC)C2)CCCCC1 ZINC001567923797 961468181 /nfs/dbraw/zinc/46/81/81/961468181.db2.gz GOMLUTVJTCNMFI-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC(=O)N1CCC(CC[N@H+](C)CC(=C)C)CC1 ZINC001568435721 961576883 /nfs/dbraw/zinc/57/68/83/961576883.db2.gz NYJPPFZLVJRPNA-UHFFFAOYSA-N 1 1 278.440 3.089 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@]1(C)C(C)C ZINC001568500301 961590556 /nfs/dbraw/zinc/59/05/56/961590556.db2.gz IVZXWXXFHXUVNG-DOTOQJQBSA-N 1 1 280.456 3.025 20 30 CGEDMO C=CC[N@H+](C)CCN(C)C(=O)C[C@@H](C)c1ccccc1C ZINC001568497634 961591537 /nfs/dbraw/zinc/59/15/37/961591537.db2.gz LHFAPWUBCNLHIR-MRXNPFEDSA-N 1 1 288.435 3.065 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H](C)C[N@@H+](C)CCC(C)(C)C ZINC001569131990 961696876 /nfs/dbraw/zinc/69/68/76/961696876.db2.gz BTCNGHQHKHPBBQ-CYBMUJFWSA-N 1 1 268.445 3.071 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[N@@H+](C)C2(CCCCC2)C1 ZINC001569328592 961740206 /nfs/dbraw/zinc/74/02/06/961740206.db2.gz QKNMBKPZLGHCOC-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CC[N@H+]1CC1CCCCCC1 ZINC001569350030 961743236 /nfs/dbraw/zinc/74/32/36/961743236.db2.gz DDYWTVNTQQQCAD-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@@]1(C)CC=C(C)CC1 ZINC001569383809 961757491 /nfs/dbraw/zinc/75/74/91/961757491.db2.gz XZVVTTCWFXKLNA-WMZOPIPTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCCC(=O)N1CCC([C@@H]2CC[N@@H+](CC=C)C2)CC1 ZINC001569434239 961770966 /nfs/dbraw/zinc/77/09/66/961770966.db2.gz IONJLGKOOWMXNB-QGZVFWFLSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)CCC(=O)N(C)C1C[NH+](CC/C=C\CCC)C1 ZINC001569492253 961782352 /nfs/dbraw/zinc/78/23/52/961782352.db2.gz PRTSBHKNGFFGCP-FPLPWBNLSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)CC(C)C)C1 ZINC001569708525 961825307 /nfs/dbraw/zinc/82/53/07/961825307.db2.gz BKHYVNPNIRJVCP-QGZVFWFLSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@](C)(CNC(=O)/C(C)=C/CC)C1 ZINC001569710175 961826725 /nfs/dbraw/zinc/82/67/25/961826725.db2.gz OYRQDMUYIHEKTE-ROCHPLJESA-N 1 1 298.858 3.314 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@](C)(CNC(=O)/C(C)=C/CC)C1 ZINC001569710175 961826742 /nfs/dbraw/zinc/82/67/42/961826742.db2.gz OYRQDMUYIHEKTE-ROCHPLJESA-N 1 1 298.858 3.314 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@H](C)CC ZINC001569913149 961876211 /nfs/dbraw/zinc/87/62/11/961876211.db2.gz NXIVPSMVOIIKQN-ZACQAIPSSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@H+](C)Cc1ccccc1CNC(=O)CCC1CC1 ZINC001570025452 961882650 /nfs/dbraw/zinc/88/26/50/961882650.db2.gz HFDYBZGPGYPOOR-UHFFFAOYSA-N 1 1 286.419 3.111 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)/C=C(\C)CC)CC1 ZINC001570174787 961918695 /nfs/dbraw/zinc/91/86/95/961918695.db2.gz JMZFOLYACFLWKP-IEZBTEQYSA-N 1 1 284.831 3.066 20 30 CGEDMO C=CCCC(=O)N1CCC[C@]2(CC[N@H+](C[C@H](C)CC)C2)C1 ZINC001570271981 961943551 /nfs/dbraw/zinc/94/35/51/961943551.db2.gz RXSWKLLYKNNNNE-SJLPKXTDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCCF)C2 ZINC001570274350 961945794 /nfs/dbraw/zinc/94/57/94/961945794.db2.gz ALSSAGZMAKLWFX-QGZVFWFLSA-N 1 1 296.430 3.017 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)CCC)C(C)(C)C1 ZINC001570391262 961961090 /nfs/dbraw/zinc/96/10/90/961961090.db2.gz IWHLYAISUGXFTQ-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C(C)C)C(C)(C)C1 ZINC001570398225 961964254 /nfs/dbraw/zinc/96/42/54/961964254.db2.gz YFEUJAUCHLTDFH-GJZGRUSLSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@@H+](CC(=C)C)[C@H](C)C1 ZINC001570437520 961972843 /nfs/dbraw/zinc/97/28/43/961972843.db2.gz NXRNUUZWWHCEOR-HUUCEWRRSA-N 1 1 278.440 3.134 20 30 CGEDMO C#CC[N@H+](C)[C@H](C)CNC(=O)[C@H](CCC)CC1CCCC1 ZINC001570739685 962079614 /nfs/dbraw/zinc/07/96/14/962079614.db2.gz GIANKUVCANQFEJ-NVXWUHKLSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)CC ZINC001570816048 962095860 /nfs/dbraw/zinc/09/58/60/962095860.db2.gz PMNCRTGJHRYBQJ-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1C[N@H+](CC=C(C)C)CC1(C)C ZINC001570905075 962106381 /nfs/dbraw/zinc/10/63/81/962106381.db2.gz MSLHKYTXPAHKGV-HNNXBMFYSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@H](NC(=O)c2ccoc2)C(C)(C)C1 ZINC001570889324 962108444 /nfs/dbraw/zinc/10/84/44/962108444.db2.gz VLSMVKFOLYEWRW-ZFWWWQNUSA-N 1 1 290.407 3.075 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC(=C)C)C[C@@H]2C1 ZINC001571024012 962118616 /nfs/dbraw/zinc/11/86/16/962118616.db2.gz SSOFVMVTRTYMFA-IXDOHACOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1CCCC2(CN(C(=O)C[C@H](C=C)CC)C2)C1 ZINC001571044074 962120021 /nfs/dbraw/zinc/12/00/21/962120021.db2.gz SSDHREOIOKXSNO-MRXNPFEDSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C(CC)CC)[C@H]1C ZINC001571515096 962165983 /nfs/dbraw/zinc/16/59/83/962165983.db2.gz OBYBPMSTCCYLKE-GDBMZVCRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)/C=C/C(C)(C)C)CCC[C@@H]12 ZINC001571496705 962171399 /nfs/dbraw/zinc/17/13/99/962171399.db2.gz HWJSOFKXSJJXGT-TZCIALRTSA-N 1 1 290.451 3.278 20 30 CGEDMO C#CCC[N@H+](C)CCN(C(=O)C[C@@H]1CC[C@@H](C)C1)C(C)C ZINC001571614016 962189181 /nfs/dbraw/zinc/18/91/81/962189181.db2.gz RJRIUNNZHZXJAH-IAGOWNOFSA-N 1 1 292.467 3.005 20 30 CGEDMO CC#CC[N@H+](C)CCN(C(=O)[C@@H](CCC)C(C)C)C(C)C ZINC001571615137 962190232 /nfs/dbraw/zinc/19/02/32/962190232.db2.gz HFQDIVRRNJRSGC-KRWDZBQOSA-N 1 1 294.483 3.251 20 30 CGEDMO C=C(C)CCC(=O)NCC1=CC[N@@H+](CC/C=C/CC)CC1 ZINC001571688148 962209167 /nfs/dbraw/zinc/20/91/67/962209167.db2.gz COCNZLMDLABYFZ-AATRIKPKSA-N 1 1 290.451 3.447 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NCC1=CC[N@@H+](CC[C@@H](C)F)CC1 ZINC001571693200 962213467 /nfs/dbraw/zinc/21/34/67/962213467.db2.gz QCYRUTPOPRATOV-CABCVRRESA-N 1 1 296.430 3.085 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC1=CC[N@@H+](C[C@H](C)CC)CC1 ZINC001571692122 962215628 /nfs/dbraw/zinc/21/56/28/962215628.db2.gz ICHXJCXMXIKKIN-OAHLLOKOSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC001588456225 963279395 /nfs/dbraw/zinc/27/93/95/963279395.db2.gz JCTAXXJXKGZTSS-WQVCFCJDSA-N 1 1 295.390 3.111 20 30 CGEDMO Cc1cc(C)cc(OCC[N@@H+](C)CC(C)(C)C#N)c1 ZINC000590123124 346828727 /nfs/dbraw/zinc/82/87/27/346828727.db2.gz LQNOBNLPMJLWIM-UHFFFAOYSA-N 1 1 260.381 3.164 20 30 CGEDMO Cc1cc(C)cc(OCC[N@H+](C)CC(C)(C)C#N)c1 ZINC000590123124 346828729 /nfs/dbraw/zinc/82/87/29/346828729.db2.gz LQNOBNLPMJLWIM-UHFFFAOYSA-N 1 1 260.381 3.164 20 30 CGEDMO CC(C)[C@@H]1c2ccccc2CC[N@@H+]1CCOCCC#N ZINC000590162343 346833347 /nfs/dbraw/zinc/83/33/47/346833347.db2.gz VVWUJUFPCUOAKO-QGZVFWFLSA-N 1 1 272.392 3.172 20 30 CGEDMO Cc1cc(NC(=O)CCCCCC#N)cn2cc[nH+]c12 ZINC000590500868 346849091 /nfs/dbraw/zinc/84/90/91/346849091.db2.gz ZKOSLLWAYDKPNI-UHFFFAOYSA-N 1 1 270.336 3.055 20 30 CGEDMO CC(C)n1cc(C2=CCC[N@H+]([C@@H]3CC[C@@H](C#N)C3)CC2)nn1 ZINC000590659207 346860788 /nfs/dbraw/zinc/86/07/88/346860788.db2.gz YHZZZIQENIGTAN-GDBMZVCRSA-N 1 1 299.422 3.030 20 30 CGEDMO C=CCC[C@H]([NH2+][C@H](C)CC1CCC1)C(=O)OCC ZINC000590661508 346861131 /nfs/dbraw/zinc/86/11/31/346861131.db2.gz FKCYZZLLVWSRTJ-OCCSQVGLSA-N 1 1 253.386 3.053 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1cc(F)c(OC)cc1OC ZINC000651787781 398288679 /nfs/dbraw/zinc/28/86/79/398288679.db2.gz GZAQGSIRBUDZHY-ZDUSSCGKSA-N 1 1 279.355 3.383 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(F)c(OC)cc1OC ZINC000651787781 398288682 /nfs/dbraw/zinc/28/86/82/398288682.db2.gz GZAQGSIRBUDZHY-ZDUSSCGKSA-N 1 1 279.355 3.383 20 30 CGEDMO C[C@@H]1[C@@H](CO)CCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000591056168 346897274 /nfs/dbraw/zinc/89/72/74/346897274.db2.gz FOQZFFDBYAQMDX-GDBMZVCRSA-N 1 1 286.419 3.081 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@H](C2CCC2)C1 ZINC000591061633 346897574 /nfs/dbraw/zinc/89/75/74/346897574.db2.gz ALJQOISTQUYTCR-AWEZNQCLSA-N 1 1 258.340 3.319 20 30 CGEDMO CC[C@@H](N[C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(C#N)cc1 ZINC000591582999 346929950 /nfs/dbraw/zinc/92/99/50/346929950.db2.gz ZKKYGWXPFYQCDV-DLBZAZTESA-N 1 1 283.419 3.274 20 30 CGEDMO C[N@H+]1C[C@@H]2CCCN(Cc3ccc(C(C)(C)C#N)cc3)[C@@H]2C1 ZINC000591853325 346942785 /nfs/dbraw/zinc/94/27/85/346942785.db2.gz AEHAYELSDKIGOH-FUHWJXTLSA-N 1 1 297.446 3.014 20 30 CGEDMO CN1C[C@@H]2CCC[N@H+](Cc3ccc(C(C)(C)C#N)cc3)[C@@H]2C1 ZINC000591853325 346942790 /nfs/dbraw/zinc/94/27/90/346942790.db2.gz AEHAYELSDKIGOH-FUHWJXTLSA-N 1 1 297.446 3.014 20 30 CGEDMO CN1C[C@@H]2CCC[N@@H+](Cc3ccc(C(C)(C)C#N)cc3)[C@@H]2C1 ZINC000591853325 346942794 /nfs/dbraw/zinc/94/27/94/346942794.db2.gz AEHAYELSDKIGOH-FUHWJXTLSA-N 1 1 297.446 3.014 20 30 CGEDMO CC[C@@H]1CN(C)CC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000591849975 346943087 /nfs/dbraw/zinc/94/30/87/346943087.db2.gz GZCXSGOAEMORSY-QGZVFWFLSA-N 1 1 285.435 3.014 20 30 CGEDMO CC[C@@H]1C[N@@H+](C)CCN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000591849975 346943092 /nfs/dbraw/zinc/94/30/92/346943092.db2.gz GZCXSGOAEMORSY-QGZVFWFLSA-N 1 1 285.435 3.014 20 30 CGEDMO N#Cc1cnccc1C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000592055098 346958235 /nfs/dbraw/zinc/95/82/35/346958235.db2.gz IIKALWCKPLYOMJ-CQSZACIVSA-N 1 1 269.373 3.352 20 30 CGEDMO N#Cc1cnccc1C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000592055098 346958238 /nfs/dbraw/zinc/95/82/38/346958238.db2.gz IIKALWCKPLYOMJ-CQSZACIVSA-N 1 1 269.373 3.352 20 30 CGEDMO CCC1(CC)C[N@H+](Cc2ccncc2C#N)CCS1 ZINC000592103026 346963495 /nfs/dbraw/zinc/96/34/95/346963495.db2.gz KXKGAEHAYIUITN-UHFFFAOYSA-N 1 1 275.421 3.061 20 30 CGEDMO CCC1(CC)C[N@@H+](Cc2ccncc2C#N)CCS1 ZINC000592103026 346963497 /nfs/dbraw/zinc/96/34/97/346963497.db2.gz KXKGAEHAYIUITN-UHFFFAOYSA-N 1 1 275.421 3.061 20 30 CGEDMO N#CC[C@]1(O)CC[N@@H+](Cc2ccc(-c3cccs3)cc2)C1 ZINC000592154518 346967954 /nfs/dbraw/zinc/96/79/54/346967954.db2.gz SKHGFVOREFTYMA-KRWDZBQOSA-N 1 1 298.411 3.266 20 30 CGEDMO C[C@H]1CC2(C[N@H+]1Cc1ccc(F)c(C#N)c1)CCOCC2 ZINC000592181545 346969376 /nfs/dbraw/zinc/96/93/76/346969376.db2.gz HPTCSCZJFUSBIR-ZDUSSCGKSA-N 1 1 288.366 3.088 20 30 CGEDMO C=CCCC[N@H+](CCC(=O)OC(C)(C)C)C1CCOCC1 ZINC000592130566 346966264 /nfs/dbraw/zinc/96/62/64/346966264.db2.gz YDWRWQHBMOGGMQ-UHFFFAOYSA-N 1 1 297.439 3.165 20 30 CGEDMO N#Cc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2C2CCC2)cc1 ZINC000592198272 346971421 /nfs/dbraw/zinc/97/14/21/346971421.db2.gz NTYJLWVQJPESEV-KRWDZBQOSA-N 1 1 297.402 3.151 20 30 CGEDMO C[C@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CC2(CCCC2)O1 ZINC000592191196 346970100 /nfs/dbraw/zinc/97/01/00/346970100.db2.gz BEZMWGVBGYDWME-ZDUSSCGKSA-N 1 1 288.366 3.231 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CC2(CCCC2)O1 ZINC000592191196 346970104 /nfs/dbraw/zinc/97/01/04/346970104.db2.gz BEZMWGVBGYDWME-ZDUSSCGKSA-N 1 1 288.366 3.231 20 30 CGEDMO N#Cc1ccc(C[NH2+]C2(c3cccc(F)c3)CCC2)o1 ZINC000592373960 346979474 /nfs/dbraw/zinc/97/94/74/346979474.db2.gz FIOPXFNVLYPMMG-UHFFFAOYSA-N 1 1 270.307 3.459 20 30 CGEDMO CN1C[C@@H](C[NH2+]CC(C)(C)CCC#N)[C@H](c2ccccc2)C1 ZINC000592376360 346980176 /nfs/dbraw/zinc/98/01/76/346980176.db2.gz FMFVPMMTCGPNLS-MSOLQXFVSA-N 1 1 299.462 3.251 20 30 CGEDMO CC(C)C[C@@H](C[N@H+]1CC[C@](O)(CC#N)C1)c1ccccc1 ZINC000592521799 346995616 /nfs/dbraw/zinc/99/56/16/346995616.db2.gz CBSXKOBNDCSQPY-ZWKOTPCHSA-N 1 1 286.419 3.167 20 30 CGEDMO C=C(C)C[N@@H+](C)CCc1ccc(Br)cc1 ZINC000592810486 347018026 /nfs/dbraw/zinc/01/80/26/347018026.db2.gz OVYXPWYXHUUMTL-UHFFFAOYSA-N 1 1 268.198 3.500 20 30 CGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H]2c2ccsc2)cc1 ZINC000127092513 187281317 /nfs/dbraw/zinc/28/13/17/187281317.db2.gz WPUBYUKYHUVFLE-SJORKVTESA-N 1 1 298.411 3.490 20 30 CGEDMO CC[N@H+](Cc1cc2n(n1)CCC2)[C@H](C)c1ccc(C#N)cc1 ZINC000593000043 347025967 /nfs/dbraw/zinc/02/59/67/347025967.db2.gz YFHTZFMQRYGOOR-CQSZACIVSA-N 1 1 294.402 3.284 20 30 CGEDMO CC[N@@H+](Cc1cc2n(n1)CCC2)[C@H](C)c1ccc(C#N)cc1 ZINC000593000043 347025971 /nfs/dbraw/zinc/02/59/71/347025971.db2.gz YFHTZFMQRYGOOR-CQSZACIVSA-N 1 1 294.402 3.284 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@](C)(c2cccc(F)c2)C1 ZINC000593041353 347032010 /nfs/dbraw/zinc/03/20/10/347032010.db2.gz RZHHEENKFWJVQQ-BBRMVZONSA-N 1 1 260.356 3.481 20 30 CGEDMO N#Cc1c(C[N@@H+]2CC[C@]3(CC3(F)F)C2)cn2ccccc12 ZINC000593117854 347042023 /nfs/dbraw/zinc/04/20/23/347042023.db2.gz STCXNCUFISAICW-HNNXBMFYSA-N 1 1 287.313 3.042 20 30 CGEDMO C[N@@H+](Cc1nc(C#N)cs1)C1CCC(C)(C)CC1 ZINC000356136522 530021767 /nfs/dbraw/zinc/02/17/67/530021767.db2.gz NXAUATDMSPETBK-UHFFFAOYSA-N 1 1 263.410 3.415 20 30 CGEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000007524157 344869034 /nfs/dbraw/zinc/86/90/34/344869034.db2.gz DSMSKTSXUFALKS-UHFFFAOYSA-N 1 1 260.381 3.058 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)Nc1c(C)cc(C)cc1C ZINC000007524157 344869037 /nfs/dbraw/zinc/86/90/37/344869037.db2.gz DSMSKTSXUFALKS-UHFFFAOYSA-N 1 1 260.381 3.058 20 30 CGEDMO CC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000032799635 344934188 /nfs/dbraw/zinc/93/41/88/344934188.db2.gz FILSYDQTZRQEIP-CYBMUJFWSA-N 1 1 291.420 3.213 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000029532393 344918345 /nfs/dbraw/zinc/91/83/45/344918345.db2.gz NZQOBTZOLQYTBR-SFHVURJKSA-N 1 1 278.355 3.132 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCO[C@H](c3ccccc3)C2)cc1 ZINC000029532393 344918348 /nfs/dbraw/zinc/91/83/48/344918348.db2.gz NZQOBTZOLQYTBR-SFHVURJKSA-N 1 1 278.355 3.132 20 30 CGEDMO N#Cc1cc(C(F)(F)F)ccc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000044679004 345015225 /nfs/dbraw/zinc/01/52/25/345015225.db2.gz ONTTXACZFVFALL-GFCCVEGCSA-N 1 1 295.308 3.226 20 30 CGEDMO C[C@@H](c1ccccc1)[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000048434210 345066446 /nfs/dbraw/zinc/06/64/46/345066446.db2.gz NQHUEILNAWTXHW-HNNXBMFYSA-N 1 1 299.418 3.022 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1OC)C[C@H]1CCCO1 ZINC000051798815 345093418 /nfs/dbraw/zinc/09/34/18/345093418.db2.gz FYEVZPHTZLFXSF-MRXNPFEDSA-N 1 1 275.392 3.252 20 30 CGEDMO N#CC1CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000057879732 345189663 /nfs/dbraw/zinc/18/96/63/345189663.db2.gz BTAUWQTUGCWXSG-UHFFFAOYSA-N 1 1 267.332 3.077 20 30 CGEDMO C[N@@H+](CCc1ccc(F)cc1)Cc1ccccc1C#N ZINC000055022468 345142315 /nfs/dbraw/zinc/14/23/15/345142315.db2.gz OTLWVZONNXCHCJ-UHFFFAOYSA-N 1 1 268.335 3.372 20 30 CGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccc(C#N)cn2)C1 ZINC000064915933 345266692 /nfs/dbraw/zinc/26/66/92/345266692.db2.gz SWXNPWPVWDSOFX-RHSMWYFYSA-N 1 1 292.386 3.201 20 30 CGEDMO Cc1[nH+]ccn1CCCNc1ccc(Cl)cc1C#N ZINC000078333327 345600907 /nfs/dbraw/zinc/60/09/07/345600907.db2.gz GFGMIXXHNHWOSO-UHFFFAOYSA-N 1 1 274.755 3.219 20 30 CGEDMO CCC[N@H+]1CC[C@H](CNc2cc(C#N)nc3ccccc32)C1 ZINC000091457491 345814808 /nfs/dbraw/zinc/81/48/08/345814808.db2.gz OQLDWXKZCBWCBX-CQSZACIVSA-N 1 1 294.402 3.250 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H](c2nc(C)no2)C1 ZINC000091509339 345817628 /nfs/dbraw/zinc/81/76/28/345817628.db2.gz FSISOECTULKPNN-JSGCOSHPSA-N 1 1 263.385 3.302 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H](N2CCCC2)C1 ZINC000091508816 345817979 /nfs/dbraw/zinc/81/79/79/345817979.db2.gz AXYCOLISWTZFSD-HOTGVXAUSA-N 1 1 250.430 3.291 20 30 CGEDMO C=CCCC[C@H](C)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000091508816 345817982 /nfs/dbraw/zinc/81/79/82/345817982.db2.gz AXYCOLISWTZFSD-HOTGVXAUSA-N 1 1 250.430 3.291 20 30 CGEDMO C[C@H]1C[C@@H](Nc2ccc(C(F)(F)F)c(C#N)c2)CC[N@H+]1C ZINC000157959773 232234929 /nfs/dbraw/zinc/23/49/29/232234929.db2.gz YKYAAYOFDBKJDZ-GWCFXTLKSA-N 1 1 297.324 3.472 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000092072455 345829847 /nfs/dbraw/zinc/82/98/47/345829847.db2.gz AYTMAKUVYLAFRD-INIZCTEOSA-N 1 1 297.402 3.354 20 30 CGEDMO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000092331904 345836026 /nfs/dbraw/zinc/83/60/26/345836026.db2.gz ATRHYKXRIXFHRX-SECBINFHSA-N 1 1 273.311 3.153 20 30 CGEDMO CCc1nn(C)cc1C[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000092414717 345838953 /nfs/dbraw/zinc/83/89/53/345838953.db2.gz XNAIIOGNFHVYRO-KRWDZBQOSA-N 1 1 282.391 3.117 20 30 CGEDMO CCc1nc2ccccc2n1C1CC[NH+](CCC#N)CC1 ZINC000093300712 345874922 /nfs/dbraw/zinc/87/49/22/345874922.db2.gz HSPSINUVCZQSID-UHFFFAOYSA-N 1 1 282.391 3.149 20 30 CGEDMO CC[N@H+]1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C ZINC000110750645 345946770 /nfs/dbraw/zinc/94/67/70/345946770.db2.gz XONDCWHYGYZJHE-NSHDSACASA-N 1 1 297.324 3.107 20 30 CGEDMO C=C(C)C[N@@H+](CCCOC)CCc1ccc(OC)cc1 ZINC000115558744 345971844 /nfs/dbraw/zinc/97/18/44/345971844.db2.gz XAMFRKAYNFYXNG-UHFFFAOYSA-N 1 1 277.408 3.152 20 30 CGEDMO C=CCCN1C[C@@H](CC)[N@H+](CCC=C)C[C@H]1CC ZINC000119075665 345991888 /nfs/dbraw/zinc/99/18/88/345991888.db2.gz KOWAISOYURPCMM-HZPDHXFCSA-N 1 1 250.430 3.313 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000120756125 345999526 /nfs/dbraw/zinc/99/95/26/345999526.db2.gz BEADOLMKUDMIIL-HOCLYGCPSA-N 1 1 270.376 3.331 20 30 CGEDMO CC#CCC[N@@H+]1C[C@@H](c2ccccc2C)OC[C@@H]1C ZINC000155794717 346155621 /nfs/dbraw/zinc/15/56/21/346155621.db2.gz CLPHPUKCJCBHDE-RDJZCZTQSA-N 1 1 257.377 3.170 20 30 CGEDMO CC#CCC[N@H+]1C[C@@H](c2ccccc2C)OC[C@@H]1C ZINC000155794717 346155623 /nfs/dbraw/zinc/15/56/23/346155623.db2.gz CLPHPUKCJCBHDE-RDJZCZTQSA-N 1 1 257.377 3.170 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccn(-c2ccccc2)n1 ZINC000172176163 346216680 /nfs/dbraw/zinc/21/66/80/346216680.db2.gz YCARWFFHZZLWOC-UHFFFAOYSA-N 1 1 255.365 3.270 20 30 CGEDMO N#Cc1ccccc1C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000179093109 346252750 /nfs/dbraw/zinc/25/27/50/346252750.db2.gz YKAHAQIZTHWEQI-UHFFFAOYSA-N 1 1 266.319 3.476 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCC[C@@H]1CC(=O)OC ZINC000234526151 346331769 /nfs/dbraw/zinc/33/17/69/346331769.db2.gz USAKPCJEQMUNCM-CQSZACIVSA-N 1 1 253.386 3.150 20 30 CGEDMO C[N@@H+](CCCOc1ccccc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000278643052 346415968 /nfs/dbraw/zinc/41/59/68/346415968.db2.gz PGDLCQUFTBZHGH-HUUCEWRRSA-N 1 1 258.365 3.080 20 30 CGEDMO C=CC[C@H]1CC[C@H]([NH2+][C@H](C)C(=O)OC(C)(C)C)C1 ZINC000593614120 347096019 /nfs/dbraw/zinc/09/60/19/347096019.db2.gz ZWAIOBTUNPUNDD-AGIUHOORSA-N 1 1 253.386 3.051 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000397694429 346583893 /nfs/dbraw/zinc/58/38/93/346583893.db2.gz YKPRWDWRSKZXIX-NSHDSACASA-N 1 1 250.292 3.090 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000397694429 346583896 /nfs/dbraw/zinc/58/38/96/346583896.db2.gz YKPRWDWRSKZXIX-NSHDSACASA-N 1 1 250.292 3.090 20 30 CGEDMO Cc1nc(C)c(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)o1 ZINC000589257932 346791339 /nfs/dbraw/zinc/79/13/39/346791339.db2.gz CIWMCKPVAYEOTE-UHFFFAOYSA-N 1 1 293.370 3.452 20 30 CGEDMO C=C(C)C[N@H+](CCCOc1ccc(F)cc1)CCOC ZINC000594004832 347135810 /nfs/dbraw/zinc/13/58/10/347135810.db2.gz SMAAHDXHOLJIRT-UHFFFAOYSA-N 1 1 281.371 3.119 20 30 CGEDMO C[N@@H+](Cc1ccc2c(c1)OC(F)(F)O2)[C@H]1CC[C@H](C#N)C1 ZINC000594035708 347141894 /nfs/dbraw/zinc/14/18/94/347141894.db2.gz SZSRAULEPLZBAI-JQWIXIFHSA-N 1 1 294.301 3.132 20 30 CGEDMO CCOC(=O)[C@@H]([NH2+]CCCCC#N)C1CCCCCC1 ZINC000594046904 347144873 /nfs/dbraw/zinc/14/48/73/347144873.db2.gz IPLDHQFLFXGNCJ-HNNXBMFYSA-N 1 1 280.412 3.172 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@H]2CC2CCCC2)ccn1 ZINC000594052033 347145375 /nfs/dbraw/zinc/14/53/75/347145375.db2.gz CXLMHJIBKZTSDT-KRWDZBQOSA-N 1 1 269.392 3.498 20 30 CGEDMO Cc1cccc([C@H]2CC[N@@H+](Cc3ccc(C#N)cn3)C2)c1 ZINC000593976852 347127981 /nfs/dbraw/zinc/12/79/81/347127981.db2.gz JZSKJJRHSYLHHV-KRWDZBQOSA-N 1 1 277.371 3.251 20 30 CGEDMO CC(C)(C#N)c1ccc(C[NH2+]CC2(C#N)CCC2)cc1 ZINC000594607613 347202038 /nfs/dbraw/zinc/20/20/38/347202038.db2.gz YIDHCFVJFCXOGD-UHFFFAOYSA-N 1 1 267.376 3.271 20 30 CGEDMO Cc1ccc(C[NH2+]CC2(C#N)CCCCC2)cc1[N+](=O)[O-] ZINC000594995859 347251852 /nfs/dbraw/zinc/25/18/52/347251852.db2.gz UBJAPWWEKJWWMM-UHFFFAOYSA-N 1 1 287.363 3.467 20 30 CGEDMO CO[C@@H](C[N@@H+](C)Cc1ccc(C#N)cc1)C1CCCC1 ZINC000595286729 347286857 /nfs/dbraw/zinc/28/68/57/347286857.db2.gz GTCKLAUNGGCBMS-KRWDZBQOSA-N 1 1 272.392 3.195 20 30 CGEDMO C[N@@H+](CCc1ccc(C#N)cc1)C[C@H]1CC=CCC1 ZINC000595426718 347301562 /nfs/dbraw/zinc/30/15/62/347301562.db2.gz PZIMWGWPXKQSLB-KRWDZBQOSA-N 1 1 254.377 3.389 20 30 CGEDMO N#C[C@@H]1CCC[C@@H](N[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000595081205 347279409 /nfs/dbraw/zinc/27/94/09/347279409.db2.gz QXKMJANEQILWQG-OAGGEKHMSA-N 1 1 275.440 3.065 20 30 CGEDMO N#C[C@@H]1CCC[C@@H](N[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000595081205 347279412 /nfs/dbraw/zinc/27/94/12/347279412.db2.gz QXKMJANEQILWQG-OAGGEKHMSA-N 1 1 275.440 3.065 20 30 CGEDMO CC[C@@H](C)[N@@H+](CC)CCCC1(C#N)CCOCC1 ZINC000595598822 347323660 /nfs/dbraw/zinc/32/36/60/347323660.db2.gz HNDPQKVZMSNJEH-CQSZACIVSA-N 1 1 252.402 3.207 20 30 CGEDMO CCOc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595612151 347327142 /nfs/dbraw/zinc/32/71/42/347327142.db2.gz SGLXZBSHTMRONC-CQSZACIVSA-N 1 1 258.365 3.211 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595627177 347330075 /nfs/dbraw/zinc/33/00/75/347330075.db2.gz WHIFQZIWMGXEDR-LJQANCHMSA-N 1 1 298.430 3.489 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccnc(C#N)c2)CCc2ccccc21 ZINC000595632324 347330437 /nfs/dbraw/zinc/33/04/37/347330437.db2.gz NPMIYLPOCBAODJ-UHFFFAOYSA-N 1 1 291.398 3.289 20 30 CGEDMO CC1(C)C[N@@H+](CCCSCC#N)CCc2ccccc21 ZINC000595634967 347330993 /nfs/dbraw/zinc/33/09/93/347330993.db2.gz RYRMIHZAUTXBNZ-UHFFFAOYSA-N 1 1 288.460 3.469 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cc(C#N)ccc2OC)C1 ZINC000595659951 347334365 /nfs/dbraw/zinc/33/43/65/347334365.db2.gz OKSJOOUDYRUKEL-CQSZACIVSA-N 1 1 270.376 3.355 20 30 CGEDMO CC(C)c1ccc2c(c1)C[N@H+](CCOCCC#N)CC2 ZINC000595658797 347334618 /nfs/dbraw/zinc/33/46/18/347334618.db2.gz VXEJEEDCZJUHPT-UHFFFAOYSA-N 1 1 272.392 3.098 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](CC[S@@](=O)c2ccccc2)C1 ZINC000595661353 347335419 /nfs/dbraw/zinc/33/54/19/347335419.db2.gz ZGDJINQPJCOREN-HNAYVOBHSA-N 1 1 277.433 3.082 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595660749 347335600 /nfs/dbraw/zinc/33/56/00/347335600.db2.gz VTDQYCNASJFOPK-QGZVFWFLSA-N 1 1 254.377 3.389 20 30 CGEDMO CCCn1cc[nH+]c1CCCN(C)[C@H](C#N)c1ccccc1 ZINC000595453187 347305853 /nfs/dbraw/zinc/30/58/53/347305853.db2.gz AHICAANFUYVECV-QGZVFWFLSA-N 1 1 296.418 3.422 20 30 CGEDMO Cc1noc([C@@H]2CCCC[N@H+]2CCc2ccc(C#N)cc2)n1 ZINC000595482684 347309761 /nfs/dbraw/zinc/30/97/61/347309761.db2.gz IKZQXNFBSSRCMA-INIZCTEOSA-N 1 1 296.374 3.019 20 30 CGEDMO C[C@H]1CN([C@@H](C#N)c2ccccc2)CC[N@H+](C2CCC2)C1 ZINC000595503009 347312067 /nfs/dbraw/zinc/31/20/67/347312067.db2.gz YQSVTFXNABQISN-QAPCUYQASA-N 1 1 283.419 3.057 20 30 CGEDMO CC(C)n1cc(C2=CCC[N@H+]([C@H](C)CCC#N)CC2)nn1 ZINC000595524714 347316125 /nfs/dbraw/zinc/31/61/25/347316125.db2.gz OCCXHLCSIITFLJ-CQSZACIVSA-N 1 1 287.411 3.030 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCSC3(CCC3)CC2)cc1 ZINC000595536033 347316736 /nfs/dbraw/zinc/31/67/36/347316736.db2.gz SWWSGXVKXYNJOF-UHFFFAOYSA-N 1 1 286.444 3.462 20 30 CGEDMO COc1cc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)sn1 ZINC000595550416 347318330 /nfs/dbraw/zinc/31/83/30/347318330.db2.gz PZIRAKIPNVHCPF-NSHDSACASA-N 1 1 287.388 3.216 20 30 CGEDMO COc1cc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)sn1 ZINC000595550416 347318336 /nfs/dbraw/zinc/31/83/36/347318336.db2.gz PZIRAKIPNVHCPF-NSHDSACASA-N 1 1 287.388 3.216 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595831139 347362907 /nfs/dbraw/zinc/36/29/07/347362907.db2.gz JAUQLWXSJZXOLR-GOSISDBHSA-N 1 1 296.345 3.351 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595831139 347362909 /nfs/dbraw/zinc/36/29/09/347362909.db2.gz JAUQLWXSJZXOLR-GOSISDBHSA-N 1 1 296.345 3.351 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000595838265 347364598 /nfs/dbraw/zinc/36/45/98/347364598.db2.gz ULHSQTHIJJEDKL-HNNXBMFYSA-N 1 1 299.374 3.479 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](C)C[C@@H]1CC1(C)C ZINC000595911818 347371816 /nfs/dbraw/zinc/37/18/16/347371816.db2.gz ZBTKNQYAWBBDBF-AWEZNQCLSA-N 1 1 258.365 3.045 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596597016 347486073 /nfs/dbraw/zinc/48/60/73/347486073.db2.gz ILRLKEIAORWDLB-CYBMUJFWSA-N 1 1 294.402 3.427 20 30 CGEDMO C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000597175670 347544131 /nfs/dbraw/zinc/54/41/31/347544131.db2.gz CUINGCXHNALVEP-NVXWUHKLSA-N 1 1 256.393 3.491 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000597176231 347544416 /nfs/dbraw/zinc/54/44/16/347544416.db2.gz GSUZPIGFRVOAEI-AWEZNQCLSA-N 1 1 265.360 3.360 20 30 CGEDMO N#CC1(c2ccc(C[N@@H+](C[C@H]3CCOC3)C3CC3)cc2)CC1 ZINC000596978714 347523796 /nfs/dbraw/zinc/52/37/96/347523796.db2.gz AYVOZVKUIGVOLW-MRXNPFEDSA-N 1 1 296.414 3.243 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3CC[C@@H]([C@H]4CCOC4)C3)cc2)CC1 ZINC000597023020 347528577 /nfs/dbraw/zinc/52/85/77/347528577.db2.gz YILGFTCHOWSASX-SJORKVTESA-N 1 1 296.414 3.100 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3CC[C@H](C4CC4)C3)cc2)CC1 ZINC000597021415 347528893 /nfs/dbraw/zinc/52/88/93/347528893.db2.gz QIBAUCKJZQCKAY-INIZCTEOSA-N 1 1 266.388 3.474 20 30 CGEDMO C[C@H](CO)[N@H+](Cc1ccc(C2(C#N)CC2)cc1)CC1CCC1 ZINC000597120374 347537215 /nfs/dbraw/zinc/53/72/15/347537215.db2.gz GMEZWUBZTORWTF-OAHLLOKOSA-N 1 1 298.430 3.225 20 30 CGEDMO C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597132030 347538413 /nfs/dbraw/zinc/53/84/13/347538413.db2.gz FYRCWOQURBBEHP-QAPCUYQASA-N 1 1 297.446 3.014 20 30 CGEDMO C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597132030 347538415 /nfs/dbraw/zinc/53/84/15/347538415.db2.gz FYRCWOQURBBEHP-QAPCUYQASA-N 1 1 297.446 3.014 20 30 CGEDMO C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597132028 347538432 /nfs/dbraw/zinc/53/84/32/347538432.db2.gz FYRCWOQURBBEHP-CRAIPNDOSA-N 1 1 297.446 3.014 20 30 CGEDMO C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597132028 347538435 /nfs/dbraw/zinc/53/84/35/347538435.db2.gz FYRCWOQURBBEHP-CRAIPNDOSA-N 1 1 297.446 3.014 20 30 CGEDMO COCc1ccccc1/C=C(\C)C[NH+]1CC(CC#N)C1 ZINC000597202888 347553288 /nfs/dbraw/zinc/55/32/88/347553288.db2.gz DNPBQCUXDUFOGV-NTEUORMPSA-N 1 1 270.376 3.082 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c1 ZINC000597224346 347556880 /nfs/dbraw/zinc/55/68/80/347556880.db2.gz GULABVBNWNKCOL-GDBMZVCRSA-N 1 1 290.432 3.401 20 30 CGEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@H](C4CCC4)C3)n2c1 ZINC000597227886 347557465 /nfs/dbraw/zinc/55/74/65/347557465.db2.gz IAVJDEVOCBPSCK-INIZCTEOSA-N 1 1 294.402 3.218 20 30 CGEDMO N#CCC1C[NH+](Cc2ccccc2OCc2ccncc2)C1 ZINC000597194682 347548448 /nfs/dbraw/zinc/54/84/48/347548448.db2.gz XHCKODNRKGILSS-UHFFFAOYSA-N 1 1 293.370 3.006 20 30 CGEDMO CCC[N@@H+](C)CC(C)(C)NC(=O)CC1(C#N)CCCCC1 ZINC000598466030 347660654 /nfs/dbraw/zinc/66/06/54/347660654.db2.gz RHTDRIPVLLZVDZ-UHFFFAOYSA-N 1 1 293.455 3.087 20 30 CGEDMO CN1CC[C@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1(C)C ZINC000598982838 347703821 /nfs/dbraw/zinc/70/38/21/347703821.db2.gz QDIUJRKJEKGTEZ-WMZOPIPTSA-N 1 1 297.446 3.398 20 30 CGEDMO C[N@@H+]1CC[C@H](N[C@H]2CCCc3cc(C#N)ccc32)CC1(C)C ZINC000598982838 347703823 /nfs/dbraw/zinc/70/38/23/347703823.db2.gz QDIUJRKJEKGTEZ-WMZOPIPTSA-N 1 1 297.446 3.398 20 30 CGEDMO C[N@H+]1CC[C@H](N[C@H]2CCCc3cc(C#N)ccc32)CC1(C)C ZINC000598982838 347703825 /nfs/dbraw/zinc/70/38/25/347703825.db2.gz QDIUJRKJEKGTEZ-WMZOPIPTSA-N 1 1 297.446 3.398 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000598584645 347665972 /nfs/dbraw/zinc/66/59/72/347665972.db2.gz QUFHKJJMQLBXQE-CHWSQXEVSA-N 1 1 278.421 3.186 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000598584960 347666121 /nfs/dbraw/zinc/66/61/21/347666121.db2.gz LCIHYZDGBBKWSF-CVEARBPZSA-N 1 1 272.392 3.124 20 30 CGEDMO C[C@@H](c1ccccc1F)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598585444 347667000 /nfs/dbraw/zinc/66/70/00/347667000.db2.gz CXKPDUPZDDEGKJ-STQMWFEESA-N 1 1 278.371 3.119 20 30 CGEDMO C[C@@H]1c2ccc(F)cc2CC[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598593590 347668273 /nfs/dbraw/zinc/66/82/73/347668273.db2.gz VBABEWXFQHMPDE-DOMZBBRYSA-N 1 1 290.382 3.046 20 30 CGEDMO CC(C)C[C@@H]1CCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598594096 347668326 /nfs/dbraw/zinc/66/83/26/347668326.db2.gz YXBLCYNOPWAWND-GJZGRUSLSA-N 1 1 266.429 3.045 20 30 CGEDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598594232 347668496 /nfs/dbraw/zinc/66/84/96/347668496.db2.gz ZYLRFLIYYWHTQW-ZNMIVQPWSA-N 1 1 266.429 3.188 20 30 CGEDMO C[N@@H+](CCc1ccc(Cl)cc1)C[C@@H](O)CC(C)(C)C#N ZINC000598594151 347668517 /nfs/dbraw/zinc/66/85/17/347668517.db2.gz YJOPIAFXOSHUHV-HNNXBMFYSA-N 1 1 294.826 3.115 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000598618981 347672059 /nfs/dbraw/zinc/67/20/59/347672059.db2.gz TUDQJNMMWFGZPU-IRXDYDNUSA-N 1 1 286.419 3.167 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCCC2(CCCC2)CC1 ZINC000598626163 347672430 /nfs/dbraw/zinc/67/24/30/347672430.db2.gz ZWURHWOEAJHWRP-HNNXBMFYSA-N 1 1 278.440 3.333 20 30 CGEDMO N#CCc1cccc2c1CC[N@@H+](CCC1CCC1)C2 ZINC000599677368 347764054 /nfs/dbraw/zinc/76/40/54/347764054.db2.gz GJDCTHIUQLEUAC-UHFFFAOYSA-N 1 1 254.377 3.301 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCc3c(CC#N)cccc3C2)cn1 ZINC000599677619 347764292 /nfs/dbraw/zinc/76/42/92/347764292.db2.gz IJNJLLOTIFDZNT-UHFFFAOYSA-N 1 1 277.371 3.014 20 30 CGEDMO Cc1ccc(C[N@H+]2CCc3c(CC#N)cccc3C2)cn1 ZINC000599677619 347764294 /nfs/dbraw/zinc/76/42/94/347764294.db2.gz IJNJLLOTIFDZNT-UHFFFAOYSA-N 1 1 277.371 3.014 20 30 CGEDMO C/C=C/C[C@H]1CCC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000599688975 347765896 /nfs/dbraw/zinc/76/58/96/347765896.db2.gz GYQVOIVGJDGYSZ-HSWBROFVSA-N 1 1 255.365 3.131 20 30 CGEDMO Cc1cc[nH+]c(N2CCc3c(CC#N)cccc3C2)c1 ZINC000599194466 347725188 /nfs/dbraw/zinc/72/51/88/347725188.db2.gz HECHRKPTUSRGSL-UHFFFAOYSA-N 1 1 263.344 3.019 20 30 CGEDMO Cc1ccc(C[N@H+](C[C@H](C)O)C2CCCCC2)cc1C#N ZINC000599284812 347731896 /nfs/dbraw/zinc/73/18/96/347731896.db2.gz DQHMXTLYGQDYNO-HNNXBMFYSA-N 1 1 286.419 3.382 20 30 CGEDMO CC[N@@H+](Cc1ccc(C)c(C#N)c1)Cc1ccccn1 ZINC000599312392 347734340 /nfs/dbraw/zinc/73/43/40/347734340.db2.gz RNTUSSTYXJRMBB-UHFFFAOYSA-N 1 1 265.360 3.284 20 30 CGEDMO CC1(C)C[N@@H+](C[C@@H](O)CC2(C#N)CC2)[C@@H]1c1ccccc1 ZINC000599329638 347735953 /nfs/dbraw/zinc/73/59/53/347735953.db2.gz AWODYMZELYCPQJ-JKSUJKDBSA-N 1 1 284.403 3.124 20 30 CGEDMO Cc1ccc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1C#N ZINC000599424801 347743298 /nfs/dbraw/zinc/74/32/98/347743298.db2.gz VOUYYFHWEGJABF-QZTJIDSGSA-N 1 1 296.414 3.400 20 30 CGEDMO N#CCCOCC[N@@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000599515553 347749733 /nfs/dbraw/zinc/74/97/33/347749733.db2.gz FJQTXJIPLAFQDJ-CQSZACIVSA-N 1 1 294.345 3.074 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(C(=O)OC)c(F)c2)C1 ZINC000599526876 347750487 /nfs/dbraw/zinc/75/04/87/347750487.db2.gz VOFCHXPGXMCRJQ-LBPRGKRZSA-N 1 1 277.339 3.010 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCC(F)(F)CC2)c(F)c1 ZINC000599551494 347753292 /nfs/dbraw/zinc/75/32/92/347753292.db2.gz NXBHENGPHCBGGH-UHFFFAOYSA-N 1 1 268.282 3.319 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c(F)c1 ZINC000599552673 347753815 /nfs/dbraw/zinc/75/38/15/347753815.db2.gz MAJUCCICGYXJKQ-KGLIPLIRSA-N 1 1 276.380 3.167 20 30 CGEDMO N#Cc1cc(Br)ccc1C[NH+](C1CC1)C1CC1 ZINC000599600063 347757619 /nfs/dbraw/zinc/75/76/19/347757619.db2.gz NHGQXHQBBPWLIQ-UHFFFAOYSA-N 1 1 291.192 3.448 20 30 CGEDMO COc1cccc2c1C[N@@H+](CCc1ccc(C#N)cc1)C2 ZINC000599645249 347761277 /nfs/dbraw/zinc/76/12/77/347761277.db2.gz ZSYREGRKBSKAIA-UHFFFAOYSA-N 1 1 278.355 3.125 20 30 CGEDMO C/C=C/C[C@H]1CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000600212819 347793737 /nfs/dbraw/zinc/79/37/37/347793737.db2.gz ICFGXVXTVGKJJX-FAAWYNLUSA-N 1 1 294.402 3.384 20 30 CGEDMO N#CCc1cccc2c1CC[N@H+](Cc1cc(C#N)cs1)C2 ZINC000600212737 347794005 /nfs/dbraw/zinc/79/40/05/347794005.db2.gz HWOOFQRCNPYHES-UHFFFAOYSA-N 1 1 293.395 3.244 20 30 CGEDMO N#CCc1cccc2c1CC[N@@H+](Cc1cc(C#N)cs1)C2 ZINC000600212737 347794009 /nfs/dbraw/zinc/79/40/09/347794009.db2.gz HWOOFQRCNPYHES-UHFFFAOYSA-N 1 1 293.395 3.244 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](c3ccc(O)cc3)C2)s1 ZINC000600214281 347795019 /nfs/dbraw/zinc/79/50/19/347795019.db2.gz OJTWTIHGCPCNMB-ZDUSSCGKSA-N 1 1 284.384 3.315 20 30 CGEDMO C[C@]1(C[N@@H+]2Cc3cccc(C#N)c3C2)CCCS1 ZINC000600176965 347789872 /nfs/dbraw/zinc/78/98/72/347789872.db2.gz NJXBGYDCZILUDP-OAHLLOKOSA-N 1 1 258.390 3.160 20 30 CGEDMO C[C@]1(C[N@H+]2Cc3cccc(C#N)c3C2)CCCS1 ZINC000600176965 347789874 /nfs/dbraw/zinc/78/98/74/347789874.db2.gz NJXBGYDCZILUDP-OAHLLOKOSA-N 1 1 258.390 3.160 20 30 CGEDMO CC(C)(CCC#N)CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601163303 347876775 /nfs/dbraw/zinc/87/67/75/347876775.db2.gz HEKULZBELYCPBA-UHFFFAOYSA-N 1 1 298.346 3.307 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([NH2+][C@@H](CF)c2ccc(F)cc2)C1 ZINC000601318526 347891882 /nfs/dbraw/zinc/89/18/82/347891882.db2.gz NQVNTUVCXHRJQR-HONMWMINSA-N 1 1 250.292 3.118 20 30 CGEDMO CC[N@@H+](C[C@@H](C)CCC#N)C[C@@H]1COc2ccccc2O1 ZINC000602433972 347957368 /nfs/dbraw/zinc/95/73/68/347957368.db2.gz NBLWVUNAEOQBRJ-LSDHHAIUSA-N 1 1 288.391 3.088 20 30 CGEDMO CC[C@@H](C)[C@H](C[N@@H+](C)Cc1ccc(C#N)cc1)OC ZINC000602438017 347957826 /nfs/dbraw/zinc/95/78/26/347957826.db2.gz GDYYVRKMYAJCPO-CJNGLKHVSA-N 1 1 260.381 3.051 20 30 CGEDMO N#Cc1cccc(C[N@@H+](Cc2cccc(F)c2)C2CC2)n1 ZINC000602439975 347957846 /nfs/dbraw/zinc/95/78/46/347957846.db2.gz IDKJJMAJWYCDKP-UHFFFAOYSA-N 1 1 281.334 3.257 20 30 CGEDMO N#Cc1cccc(C[N@H+](Cc2cccc(F)c2)C2CC2)n1 ZINC000602439975 347957847 /nfs/dbraw/zinc/95/78/47/347957847.db2.gz IDKJJMAJWYCDKP-UHFFFAOYSA-N 1 1 281.334 3.257 20 30 CGEDMO CCC1CCC([N@@H+](C)Cc2cccc(C#N)n2)CC1 ZINC000602439416 347957946 /nfs/dbraw/zinc/95/79/46/347957946.db2.gz FESQOZPEZJJIMT-UHFFFAOYSA-N 1 1 257.381 3.354 20 30 CGEDMO C[C@@H](c1cccs1)[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602443071 347959126 /nfs/dbraw/zinc/95/91/26/347959126.db2.gz QCQQDVXFDFXVST-NSHDSACASA-N 1 1 257.362 3.208 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000602443803 347959314 /nfs/dbraw/zinc/95/93/14/347959314.db2.gz WAHSEIOUUQAPNW-NVXWUHKLSA-N 1 1 256.393 3.491 20 30 CGEDMO COc1cc2c(cc1OC)[C@@H]([N@H+](CCC#N)C(C)C)CC2 ZINC000602448168 347960003 /nfs/dbraw/zinc/96/00/03/347960003.db2.gz NATIEXDWMALWNO-HNNXBMFYSA-N 1 1 288.391 3.315 20 30 CGEDMO COc1cc2c(cc1OC)[C@@H]([N@@H+](CCC#N)C(C)C)CC2 ZINC000602448168 347960006 /nfs/dbraw/zinc/96/00/06/347960006.db2.gz NATIEXDWMALWNO-HNNXBMFYSA-N 1 1 288.391 3.315 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000602459296 347962242 /nfs/dbraw/zinc/96/22/42/347962242.db2.gz SRNNACFBSNYLRE-CJNGLKHVSA-N 1 1 276.355 3.139 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000602459296 347962243 /nfs/dbraw/zinc/96/22/43/347962243.db2.gz SRNNACFBSNYLRE-CJNGLKHVSA-N 1 1 276.355 3.139 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCCC3(CCCCC3)C2)n1 ZINC000602471147 347964280 /nfs/dbraw/zinc/96/42/80/347964280.db2.gz GSQCSTZQZYHCCU-UHFFFAOYSA-N 1 1 269.392 3.500 20 30 CGEDMO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1cccc(C#N)n1)CCC2 ZINC000602477201 347964787 /nfs/dbraw/zinc/96/47/87/347964787.db2.gz YZXWNUAQRNGIRR-HNNXBMFYSA-N 1 1 298.415 3.228 20 30 CGEDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cccc(C#N)n1)CCC2 ZINC000602477201 347964792 /nfs/dbraw/zinc/96/47/92/347964792.db2.gz YZXWNUAQRNGIRR-HNNXBMFYSA-N 1 1 298.415 3.228 20 30 CGEDMO CCS[C@H](C)c1noc(C[N@H+](C)C[C@@H](C)CCC#N)n1 ZINC000602483327 347967131 /nfs/dbraw/zinc/96/71/31/347967131.db2.gz GGAZXFFBDZKTHW-NWDGAFQWSA-N 1 1 296.440 3.255 20 30 CGEDMO CCS[C@H](C)c1noc(C[N@@H+](C)C[C@@H](C)CCC#N)n1 ZINC000602483327 347967133 /nfs/dbraw/zinc/96/71/33/347967133.db2.gz GGAZXFFBDZKTHW-NWDGAFQWSA-N 1 1 296.440 3.255 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000602484608 347967738 /nfs/dbraw/zinc/96/77/38/347967738.db2.gz NXWALYKRHMHZSR-FUHWJXTLSA-N 1 1 286.419 3.260 20 30 CGEDMO N#Cc1ccc(C2=CC[N@H+](Cc3ccns3)CC2)cc1 ZINC000602492246 347969161 /nfs/dbraw/zinc/96/91/61/347969161.db2.gz FADMBILNDHYHPB-UHFFFAOYSA-N 1 1 281.384 3.304 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3ccns3)CC2)cc1 ZINC000602492246 347969162 /nfs/dbraw/zinc/96/91/62/347969162.db2.gz FADMBILNDHYHPB-UHFFFAOYSA-N 1 1 281.384 3.304 20 30 CGEDMO C[C@H](CCC#N)C[NH2+]CCCN(C)Cc1ccccc1 ZINC000602512663 347973370 /nfs/dbraw/zinc/97/33/70/347973370.db2.gz LPUYLYHDTDAJLQ-MRXNPFEDSA-N 1 1 273.424 3.038 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1Cc2ccccc2OC[C@@H]1C ZINC000602598715 347991249 /nfs/dbraw/zinc/99/12/49/347991249.db2.gz DUNHYCMEYMTNTC-KGLIPLIRSA-N 1 1 258.365 3.209 20 30 CGEDMO CCC[C@]1(COC)CCC[N@H+]1C[C@@H](C)CCC#N ZINC000602637689 347998499 /nfs/dbraw/zinc/99/84/99/347998499.db2.gz OXBOYMWMIZAEDX-LSDHHAIUSA-N 1 1 252.402 3.207 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000602651638 348001529 /nfs/dbraw/zinc/00/15/29/348001529.db2.gz UGANTXDNDMAMCF-ZDUSSCGKSA-N 1 1 275.352 3.009 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000602656039 348001888 /nfs/dbraw/zinc/00/18/88/348001888.db2.gz RICQKLNQPNSFAJ-OAHLLOKOSA-N 1 1 289.398 3.278 20 30 CGEDMO CCC[N@@H+](CCc1ccccn1)C[C@H](C)CCC#N ZINC000602655217 348002047 /nfs/dbraw/zinc/00/20/47/348002047.db2.gz FSVOAXCQARDUDT-OAHLLOKOSA-N 1 1 259.397 3.276 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000602660285 348003506 /nfs/dbraw/zinc/00/35/06/348003506.db2.gz BKNNRJXILPFWRC-AWEZNQCLSA-N 1 1 298.390 3.151 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000602673168 348005940 /nfs/dbraw/zinc/00/59/40/348005940.db2.gz OXSQQMACLCPEOK-HUUCEWRRSA-N 1 1 289.398 3.276 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCC[C@@H]1CCO1 ZINC000602692401 348010718 /nfs/dbraw/zinc/01/07/18/348010718.db2.gz NCIPQFSXQMTJHH-XJKSGUPXSA-N 1 1 258.365 3.120 20 30 CGEDMO CC(C)[C@@H]1[N@@H+](Cc2cccc(C#N)n2)CC12CC=CC2 ZINC000602703606 348012783 /nfs/dbraw/zinc/01/27/83/348012783.db2.gz RAQAKFPUOYZWEU-INIZCTEOSA-N 1 1 267.376 3.130 20 30 CGEDMO CC(C)(C[N@H+]1CCC[C@@H](CC#N)C1)Oc1ccccc1 ZINC000602707359 348014336 /nfs/dbraw/zinc/01/43/36/348014336.db2.gz UHNFYJGVODQHRV-HNNXBMFYSA-N 1 1 272.392 3.470 20 30 CGEDMO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC(F)(F)C(C)(C)C ZINC000602721705 348017223 /nfs/dbraw/zinc/01/72/23/348017223.db2.gz JODPHNOVKGOMPZ-GFCCVEGCSA-N 1 1 288.382 3.356 20 30 CGEDMO N#Cc1c(F)cccc1C[NH+]1CCC(CCF)CC1 ZINC000602733204 348021157 /nfs/dbraw/zinc/02/11/57/348021157.db2.gz LJODPPIUKDJJCX-UHFFFAOYSA-N 1 1 264.319 3.269 20 30 CGEDMO Cc1cc(C)c(/C=C/C[NH+]2CCN(CCC#N)CC2)c(C)c1 ZINC000602751803 348023592 /nfs/dbraw/zinc/02/35/92/348023592.db2.gz KUEVUEJSOMPXBW-GQCTYLIASA-N 1 1 297.446 3.156 20 30 CGEDMO Cc1cc(C)c(/C=C\C[NH+]2CCN(CCC#N)CC2)cc1C ZINC000602751380 348023708 /nfs/dbraw/zinc/02/37/08/348023708.db2.gz JWXHVXVKDHCFDR-XQRVVYSFSA-N 1 1 297.446 3.156 20 30 CGEDMO CC[N@@H+](C[C@@H]1CCO[C@@H]1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000602762311 348024688 /nfs/dbraw/zinc/02/46/88/348024688.db2.gz FXJWLPFQJHRLLN-VBQJREDUSA-N 1 1 272.392 3.366 20 30 CGEDMO CCC[N@H+](CC(=O)Nc1ccccc1C)CC1(CC#N)CC1 ZINC000602758226 348024785 /nfs/dbraw/zinc/02/47/85/348024785.db2.gz DSHDANVBKBGKMI-UHFFFAOYSA-N 1 1 299.418 3.339 20 30 CGEDMO CCC[N@@H+](CC(=O)Nc1ccccc1C)CC1(CC#N)CC1 ZINC000602758226 348024789 /nfs/dbraw/zinc/02/47/89/348024789.db2.gz DSHDANVBKBGKMI-UHFFFAOYSA-N 1 1 299.418 3.339 20 30 CGEDMO COc1ccc(Cl)cc1C[N@H+](C)CC1(CC#N)CC1 ZINC000602758742 348024827 /nfs/dbraw/zinc/02/48/27/348024827.db2.gz NQJMTBJGTHHJGB-UHFFFAOYSA-N 1 1 278.783 3.474 20 30 CGEDMO COc1ccc(Cl)cc1C[N@@H+](C)CC1(CC#N)CC1 ZINC000602758742 348024829 /nfs/dbraw/zinc/02/48/29/348024829.db2.gz NQJMTBJGTHHJGB-UHFFFAOYSA-N 1 1 278.783 3.474 20 30 CGEDMO N#CCC1(C[N@H+](Cc2cccc(F)c2)C2CC2)CC1 ZINC000602764754 348025623 /nfs/dbraw/zinc/02/56/23/348025623.db2.gz IOMVLHBNMORJPO-UHFFFAOYSA-N 1 1 258.340 3.484 20 30 CGEDMO CC[C@@H]([NH2+]Cc1cccc(C#N)n1)c1cc(F)ccc1F ZINC000602551172 347980713 /nfs/dbraw/zinc/98/07/13/347980713.db2.gz NACLTBJELAWPSC-MRXNPFEDSA-N 1 1 287.313 3.472 20 30 CGEDMO C[C@@H]1OCC[C@@H]1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000602801048 348031387 /nfs/dbraw/zinc/03/13/87/348031387.db2.gz YZIPVOMFDWCZMA-KBXCAEBGSA-N 1 1 282.387 3.072 20 30 CGEDMO N#CCC1(C[N@H+](Cc2ccccc2)C2(CO)CCCC2)CC1 ZINC000602835183 348034760 /nfs/dbraw/zinc/03/47/60/348034760.db2.gz GZLZWHLWCDKLDU-UHFFFAOYSA-N 1 1 298.430 3.488 20 30 CGEDMO C[C@@H]1CCC[C@H](C(=O)OC(C)(C)C)[N@H+]1CCCCC#N ZINC000602851318 348036173 /nfs/dbraw/zinc/03/61/73/348036173.db2.gz VXQGXQXVARDAGU-ZIAGYGMSSA-N 1 1 280.412 3.265 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](c3ccc4cccnc4n3)C2)C1 ZINC000602886213 348040883 /nfs/dbraw/zinc/04/08/83/348040883.db2.gz IIAXBJHKRGHEGT-VNQPRFMTSA-N 1 1 292.386 3.111 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H](n2ccnn2)CC1 ZINC000602893659 348040944 /nfs/dbraw/zinc/04/09/44/348040944.db2.gz WHFRJTJAESEBCO-OAHLLOKOSA-N 1 1 289.427 3.025 20 30 CGEDMO Cc1cc(C)c(C[N@H+]2CCC[C@@H](CC#N)C2)c(C)n1 ZINC000602884583 348041012 /nfs/dbraw/zinc/04/10/12/348041012.db2.gz OOISBDMBSPSXBN-HNNXBMFYSA-N 1 1 257.381 3.133 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000602886092 348041081 /nfs/dbraw/zinc/04/10/81/348041081.db2.gz GNTVMZRLGFKZDO-UKRRQHHQSA-N 1 1 280.375 3.111 20 30 CGEDMO N#Cc1ccccc1NC1CC[NH+](Cc2ccns2)CC1 ZINC000602902002 348041809 /nfs/dbraw/zinc/04/18/09/348041809.db2.gz UKJVGUNMINPBHK-UHFFFAOYSA-N 1 1 298.415 3.091 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnc(C(=O)OCC)s1 ZINC000602902109 348041848 /nfs/dbraw/zinc/04/18/48/348041848.db2.gz GIUSGTNRMUABLN-TXEJJXNPSA-N 1 1 292.404 3.003 20 30 CGEDMO CC[N@H+](CCOc1cc(C)cc(C)c1)C[C@H](C)C#N ZINC000604285399 348113461 /nfs/dbraw/zinc/11/34/61/348113461.db2.gz BIOKAWSHLMDIIU-OAHLLOKOSA-N 1 1 260.381 3.164 20 30 CGEDMO CC[N@@H+](CCOc1cc(C)cc(C)c1)C[C@H](C)C#N ZINC000604285399 348113464 /nfs/dbraw/zinc/11/34/64/348113464.db2.gz BIOKAWSHLMDIIU-OAHLLOKOSA-N 1 1 260.381 3.164 20 30 CGEDMO COCc1cc(C#N)ccc1NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000603416638 348081072 /nfs/dbraw/zinc/08/10/72/348081072.db2.gz VOFVONNDLZENLR-KRWDZBQOSA-N 1 1 299.418 3.133 20 30 CGEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1c1ccc(C)cc1 ZINC000606452004 348185607 /nfs/dbraw/zinc/18/56/07/348185607.db2.gz BGRCOZFSQQDPQF-QAPCUYQASA-N 1 1 286.419 3.070 20 30 CGEDMO CC#CC[N@@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000607731596 348259053 /nfs/dbraw/zinc/25/90/53/348259053.db2.gz KUFDBEUJLIWFFZ-UHFFFAOYSA-N 1 1 286.202 3.201 20 30 CGEDMO CC(C)[N@@H+](C)CC1CCN(c2ccc(C#N)cc2F)CC1 ZINC000609560445 348346692 /nfs/dbraw/zinc/34/66/92/348346692.db2.gz WJTBPFOGXWEDMS-UHFFFAOYSA-N 1 1 289.398 3.254 20 30 CGEDMO C[C@H](CC#N)[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000610342875 348376526 /nfs/dbraw/zinc/37/65/26/348376526.db2.gz DLOZOLBVAGFIEJ-GFCCVEGCSA-N 1 1 274.364 3.034 20 30 CGEDMO C[C@H]([N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1)C(C)(C)C ZINC000610389755 348380566 /nfs/dbraw/zinc/38/05/66/348380566.db2.gz GMHIGAALAVNOGR-LBPRGKRZSA-N 1 1 298.390 3.475 20 30 CGEDMO C=CCCC[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000609916139 348357803 /nfs/dbraw/zinc/35/78/03/348357803.db2.gz DEGUUQDPFNVDIR-UHFFFAOYSA-N 1 1 278.352 3.262 20 30 CGEDMO C=CCc1cc(C[N@H+](C)Cc2ccccn2)cc(OC)c1O ZINC000273364518 192127001 /nfs/dbraw/zinc/12/70/01/192127001.db2.gz DPYKXPIDSLCIFB-UHFFFAOYSA-N 1 1 298.386 3.156 20 30 CGEDMO C=CCc1cc(C[N@@H+](C)Cc2ccccn2)cc(OC)c1O ZINC000273364518 192127003 /nfs/dbraw/zinc/12/70/03/192127003.db2.gz DPYKXPIDSLCIFB-UHFFFAOYSA-N 1 1 298.386 3.156 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)ccn1 ZINC000610991405 348414081 /nfs/dbraw/zinc/41/40/81/348414081.db2.gz IUNDRGQZEHGAII-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)ccn1 ZINC000610991405 348414083 /nfs/dbraw/zinc/41/40/83/348414083.db2.gz IUNDRGQZEHGAII-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccnc(C#N)c1 ZINC000610993775 348416187 /nfs/dbraw/zinc/41/61/87/348416187.db2.gz IGLWWPJZMZRMTB-XNRPHZJLSA-N 1 1 255.365 3.106 20 30 CGEDMO N#Cc1cc(C[N@@H+](CCC(F)(F)F)CC2CC2)ccn1 ZINC000610994779 348417309 /nfs/dbraw/zinc/41/73/09/348417309.db2.gz QPIHUEPNCMPVHI-UHFFFAOYSA-N 1 1 283.297 3.118 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)CCCOC(C)(C)C ZINC000610681746 348395963 /nfs/dbraw/zinc/39/59/63/348395963.db2.gz AVIQACSUVYUYMR-UHFFFAOYSA-N 1 1 254.418 3.453 20 30 CGEDMO N#Cc1cccc(OCCC[N@H+]2CCC[C@H]2C2CC2)c1 ZINC000610786298 348403271 /nfs/dbraw/zinc/40/32/71/348403271.db2.gz VXGVBLARVASLNJ-KRWDZBQOSA-N 1 1 270.376 3.202 20 30 CGEDMO N#Cc1cccc(OCCC[N@H+]2CC[C@H](c3ccco3)C2)c1 ZINC000610786435 348403318 /nfs/dbraw/zinc/40/33/18/348403318.db2.gz CKEFKMWIWIHZSS-INIZCTEOSA-N 1 1 296.370 3.410 20 30 CGEDMO CC[C@H](c1ccc(Cl)cc1)[NH+]1CCN(CCC#N)CC1 ZINC000611174231 348426125 /nfs/dbraw/zinc/42/61/25/348426125.db2.gz YHIDGFWMKFDUMK-MRXNPFEDSA-N 1 1 291.826 3.322 20 30 CGEDMO C[C@@H](CC#N)[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000611418499 348450496 /nfs/dbraw/zinc/45/04/96/348450496.db2.gz NASVHPBZCCGBQJ-LBPRGKRZSA-N 1 1 274.364 3.034 20 30 CGEDMO Cc1occc1C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000611587780 348462146 /nfs/dbraw/zinc/46/21/46/348462146.db2.gz CHJMFNGWCQWGRU-JTQLQIEISA-N 1 1 258.296 3.450 20 30 CGEDMO C[C@]1(C#N)CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000612161257 348497934 /nfs/dbraw/zinc/49/79/34/348497934.db2.gz BHZOWBFSNXWUBI-QGZVFWFLSA-N 1 1 265.360 3.360 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000612161257 348497936 /nfs/dbraw/zinc/49/79/36/348497936.db2.gz BHZOWBFSNXWUBI-QGZVFWFLSA-N 1 1 265.360 3.360 20 30 CGEDMO C[C@@]1(C#N)CCC[N@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000612162692 348498429 /nfs/dbraw/zinc/49/84/29/348498429.db2.gz QKZNSPHUJCWRCD-KRWDZBQOSA-N 1 1 281.359 3.066 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000612162692 348498431 /nfs/dbraw/zinc/49/84/31/348498431.db2.gz QKZNSPHUJCWRCD-KRWDZBQOSA-N 1 1 281.359 3.066 20 30 CGEDMO CC[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccn(C)n1 ZINC000612572408 348528875 /nfs/dbraw/zinc/52/88/75/348528875.db2.gz HNKHUIQSTISMPY-IUODEOHRSA-N 1 1 268.364 3.094 20 30 CGEDMO CCC1(CC)C[N@@H+](Cc2ccnc(C#N)c2)CCS1 ZINC000613389610 348595426 /nfs/dbraw/zinc/59/54/26/348595426.db2.gz ORQOKVSHPZAQHR-UHFFFAOYSA-N 1 1 275.421 3.061 20 30 CGEDMO COCc1ccc([C@H]2CCC[N@@H+]2Cc2ccnc(C#N)c2)o1 ZINC000613503027 348612424 /nfs/dbraw/zinc/61/24/24/348612424.db2.gz IKUHQOYXNRAUAP-MRXNPFEDSA-N 1 1 297.358 3.030 20 30 CGEDMO COCc1ccc([C@H]2CCC[N@H+]2Cc2ccnc(C#N)c2)o1 ZINC000613503027 348612428 /nfs/dbraw/zinc/61/24/28/348612428.db2.gz IKUHQOYXNRAUAP-MRXNPFEDSA-N 1 1 297.358 3.030 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCc2ccsc2C1 ZINC000614403089 348673793 /nfs/dbraw/zinc/67/37/93/348673793.db2.gz BLKQSJGLWCZOLQ-UHFFFAOYSA-N 1 1 268.385 3.487 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC(C)(C)OCC1(C)C ZINC000614400597 348674232 /nfs/dbraw/zinc/67/42/32/348674232.db2.gz AQKNISQQWDGXIZ-UHFFFAOYSA-N 1 1 272.392 3.256 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+](Cc1ccccc1)C[C@@H](C)O ZINC000614400818 348674246 /nfs/dbraw/zinc/67/42/46/348674246.db2.gz HFZMYRLKVMSIHG-MRXNPFEDSA-N 1 1 294.398 3.250 20 30 CGEDMO Cc1[nH+]c2ccccc2c(N2CC[C@@](F)(C#N)C2)c1C ZINC000615531690 348747490 /nfs/dbraw/zinc/74/74/90/348747490.db2.gz RFDSYSFITSWSOE-MRXNPFEDSA-N 1 1 269.323 3.294 20 30 CGEDMO C=CCC1(NC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CCCC1 ZINC000619104474 349203281 /nfs/dbraw/zinc/20/32/81/349203281.db2.gz MRTCFDXBFAJNHD-ZNMIVQPWSA-N 1 1 278.440 3.253 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCCC[C@@H]1c1ccnn1C ZINC000619622758 349263920 /nfs/dbraw/zinc/26/39/20/349263920.db2.gz FGZQURYAOKIGAV-GOSISDBHSA-N 1 1 294.402 3.327 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000625658923 350194007 /nfs/dbraw/zinc/19/40/07/350194007.db2.gz MURRAGYCOKSFHP-CABCVRRESA-N 1 1 295.373 3.471 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](C[C@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000625701282 350198750 /nfs/dbraw/zinc/19/87/50/350198750.db2.gz IHIZFWVVLQTKMB-IAGOWNOFSA-N 1 1 298.430 3.047 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2csc(CCC)n2)C1 ZINC000625702894 350199760 /nfs/dbraw/zinc/19/97/60/350199760.db2.gz JNTDNSROHCYPDL-LBPRGKRZSA-N 1 1 250.411 3.494 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2nnc(-c3ccc(OC)cc3)o2)C1 ZINC000625703680 350200038 /nfs/dbraw/zinc/20/00/38/350200038.db2.gz OILOUJGGYIAGHZ-ZDUSSCGKSA-N 1 1 299.374 3.143 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2cncn2Cc2ccccc2)C1 ZINC000625704470 350200696 /nfs/dbraw/zinc/20/06/96/350200696.db2.gz YFNSCLBPSFFIMT-INIZCTEOSA-N 1 1 281.403 3.329 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(F)c2C)C1 ZINC000625705297 350201171 /nfs/dbraw/zinc/20/11/71/350201171.db2.gz TYDINUOIZYUEOS-CQSZACIVSA-N 1 1 290.382 3.361 20 30 CGEDMO C=CCOCC[N@H+](CCOCC)[C@@H]1CCc2ccccc21 ZINC000625977964 350239898 /nfs/dbraw/zinc/23/98/98/350239898.db2.gz AZHBNJPPSVXEER-GOSISDBHSA-N 1 1 289.419 3.215 20 30 CGEDMO C=CCOc1cccc(Cn2c[nH+]c3c2CCCC3)c1 ZINC000628371317 350517979 /nfs/dbraw/zinc/51/79/79/350517979.db2.gz WRXURCZVMVJMCM-UHFFFAOYSA-N 1 1 268.360 3.375 20 30 CGEDMO C=CC(C)(C)CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000628314785 350496437 /nfs/dbraw/zinc/49/64/37/350496437.db2.gz MVTTWLBFJGNBQT-OAHLLOKOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccccc2OCCOC)C1 ZINC000628405252 350528518 /nfs/dbraw/zinc/52/85/18/350528518.db2.gz HNMUDLLGVJUIEE-OAHLLOKOSA-N 1 1 275.392 3.110 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2ccnn2-c2ccccc2)C1 ZINC000628406289 350529768 /nfs/dbraw/zinc/52/97/68/350529768.db2.gz GPLYKFUKTCMSFD-OAHLLOKOSA-N 1 1 267.376 3.270 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000628406825 350530082 /nfs/dbraw/zinc/53/00/82/350530082.db2.gz RRKSUPGWPHROGW-OAHLLOKOSA-N 1 1 281.403 3.485 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cnc(C(C)(C)C)nc2)C1 ZINC000628406530 350530155 /nfs/dbraw/zinc/53/01/55/350530155.db2.gz LIALYKOLSFASMN-CYBMUJFWSA-N 1 1 259.397 3.172 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000271387120 191111340 /nfs/dbraw/zinc/11/13/40/191111340.db2.gz LGBMXYGXIOSUJZ-CQSZACIVSA-N 1 1 255.365 3.077 20 30 CGEDMO C=C1CC(C)(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000630747499 350882164 /nfs/dbraw/zinc/88/21/64/350882164.db2.gz SKVUEJSUYOQARF-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000630806961 350890948 /nfs/dbraw/zinc/89/09/48/350890948.db2.gz CKFPJWHOYPHCKO-DOTOQJQBSA-N 1 1 298.430 3.294 20 30 CGEDMO C=CCn1cc(C[NH2+]C/C=C/c2c(C)cc(C)cc2C)nn1 ZINC000631163244 350974178 /nfs/dbraw/zinc/97/41/78/350974178.db2.gz NWOJXXFVGUTGQZ-VOTSOKGWSA-N 1 1 296.418 3.192 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000631769020 351139798 /nfs/dbraw/zinc/13/97/98/351139798.db2.gz HDUQOLAXTBKTHF-WBVHZDCISA-N 1 1 298.430 3.122 20 30 CGEDMO C=CCOc1ccc(CN[C@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000634733120 351578784 /nfs/dbraw/zinc/57/87/84/351578784.db2.gz XHEQPEPYDUNYON-INIZCTEOSA-N 1 1 288.435 3.119 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCO[C@H](C(F)F)CC2)cc1 ZINC000634735599 351580979 /nfs/dbraw/zinc/58/09/79/351580979.db2.gz LBUDNQIYFGFFTL-HNNXBMFYSA-N 1 1 297.345 3.107 20 30 CGEDMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000271443940 191141742 /nfs/dbraw/zinc/14/17/42/191141742.db2.gz CEIOTWUGYYYJCO-DOMZBBRYSA-N 1 1 296.374 3.371 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000122525527 187036204 /nfs/dbraw/zinc/03/62/04/187036204.db2.gz ISZSSTLBENQMHZ-OLZOCXBDSA-N 1 1 258.365 3.045 20 30 CGEDMO CC[C@@](C)([NH2+]Cc1cccc(C#N)c1)c1nccs1 ZINC000152608399 188031873 /nfs/dbraw/zinc/03/18/73/188031873.db2.gz AYPCFIFGCSOQOB-OAHLLOKOSA-N 1 1 271.389 3.430 20 30 CGEDMO CSC[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000292388449 198269073 /nfs/dbraw/zinc/26/90/73/198269073.db2.gz KFPDHDOEKBALHU-HNNXBMFYSA-N 1 1 260.406 3.133 20 30 CGEDMO COCC[C@@H]1CCCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000368656208 234329895 /nfs/dbraw/zinc/32/98/95/234329895.db2.gz UVTBJOUUMVYUGA-AWEZNQCLSA-N 1 1 290.382 3.336 20 30 CGEDMO C#CC[C@@H]([NH2+]Cc1c(C)nn(C)c1Cl)c1ccccc1 ZINC000271729272 191295187 /nfs/dbraw/zinc/29/51/87/191295187.db2.gz RVKKVCGBILSWAZ-OAHLLOKOSA-N 1 1 287.794 3.236 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@@H+]2CCc3cccc(Cl)c3C2)C1 ZINC000335586529 283058982 /nfs/dbraw/zinc/05/89/82/283058982.db2.gz GRQGEXNFROBYKP-YPMHNXCESA-N 1 1 260.768 3.390 20 30 CGEDMO N#C[C@H]1CC[C@@H]([N@H+]2CCc3ccc(Cl)cc3C2)C1 ZINC000336488740 283066601 /nfs/dbraw/zinc/06/66/01/283066601.db2.gz OWNOOFORGLUZFR-XHDPSFHLSA-N 1 1 260.768 3.390 20 30 CGEDMO N#Cc1ccc(C[N@H+](CC2CCC(=O)CC2)C2CC2)cc1 ZINC000295562145 283138859 /nfs/dbraw/zinc/13/88/59/283138859.db2.gz QKKWOWAOXNHNHI-UHFFFAOYSA-N 1 1 282.387 3.282 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000088704465 138342801 /nfs/dbraw/zinc/34/28/01/138342801.db2.gz MOYJRLCBTCUBLF-KGLIPLIRSA-N 1 1 285.391 3.007 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)o1 ZINC000093704326 138348423 /nfs/dbraw/zinc/34/84/23/138348423.db2.gz PSDBXHUQTWMVMV-HNNXBMFYSA-N 1 1 281.359 3.228 20 30 CGEDMO COC(=O)c1ccc([C@H](C)[N@H+](C)Cc2cccc(C#N)c2)o1 ZINC000125236385 138380689 /nfs/dbraw/zinc/38/06/89/138380689.db2.gz ZJKQGWDVDDVSEP-LBPRGKRZSA-N 1 1 298.342 3.131 20 30 CGEDMO COC(=O)c1ccc([C@H](C)[N@@H+](C)Cc2cccc(C#N)c2)o1 ZINC000125236385 138380690 /nfs/dbraw/zinc/38/06/90/138380690.db2.gz ZJKQGWDVDDVSEP-LBPRGKRZSA-N 1 1 298.342 3.131 20 30 CGEDMO N#Cc1csc(C[NH2+][C@H]2CCCc3ccc(F)cc32)n1 ZINC000336007867 283247739 /nfs/dbraw/zinc/24/77/39/283247739.db2.gz XQNLNVHBHVUFJB-AWEZNQCLSA-N 1 1 287.363 3.321 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccccc1[N+](=O)[O-] ZINC000341267542 215902222 /nfs/dbraw/zinc/90/22/22/215902222.db2.gz JJNWAKBSKNROIU-JTQLQIEISA-N 1 1 287.344 3.379 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000298203888 200359253 /nfs/dbraw/zinc/35/92/53/200359253.db2.gz CQZBYFVUMBYAFM-LSDHHAIUSA-N 1 1 292.329 3.044 20 30 CGEDMO C[C@@H](CNCc1ccc(C#N)s1)[N@H+](C)Cc1ccccc1 ZINC000176967473 189017378 /nfs/dbraw/zinc/01/73/78/189017378.db2.gz IXEBVOWZLVNZBI-AWEZNQCLSA-N 1 1 299.443 3.230 20 30 CGEDMO C[C@@H](CNCc1ccc(C#N)s1)[N@@H+](C)Cc1ccccc1 ZINC000176967473 189017379 /nfs/dbraw/zinc/01/73/79/189017379.db2.gz IXEBVOWZLVNZBI-AWEZNQCLSA-N 1 1 299.443 3.230 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)c1 ZINC000177193776 189035360 /nfs/dbraw/zinc/03/53/60/189035360.db2.gz XCSYSJSTDRIBPL-HOTGVXAUSA-N 1 1 272.417 3.418 20 30 CGEDMO C[C@H]([N@@H+](C)CCC(=O)Nc1ccccc1C#N)C1(C)CC1 ZINC000177252307 189039822 /nfs/dbraw/zinc/03/98/22/189039822.db2.gz BRCJJRQXRYPEKH-ZDUSSCGKSA-N 1 1 285.391 3.007 20 30 CGEDMO N#Cc1cccc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000177627384 189060753 /nfs/dbraw/zinc/06/07/53/189060753.db2.gz FFJDNUKALBJQLF-HNNXBMFYSA-N 1 1 297.402 3.151 20 30 CGEDMO CO[C@H]1C[C@H]([N@H+](C)Cc2cccc(F)c2C#N)C12CCC2 ZINC000451832141 240368625 /nfs/dbraw/zinc/36/86/25/240368625.db2.gz GOSTYLMKLVDJGJ-HOTGVXAUSA-N 1 1 288.366 3.087 20 30 CGEDMO CO[C@H]1C[C@H]([N@@H+](C)Cc2cccc(F)c2C#N)C12CCC2 ZINC000451832141 240368627 /nfs/dbraw/zinc/36/86/27/240368627.db2.gz GOSTYLMKLVDJGJ-HOTGVXAUSA-N 1 1 288.366 3.087 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000179866644 189224839 /nfs/dbraw/zinc/22/48/39/189224839.db2.gz DQMIJDRLLJDDCU-AWEZNQCLSA-N 1 1 294.402 3.191 20 30 CGEDMO CC[N@@H+](C)Cc1cccc(CNc2nc(C)ccc2C#N)c1 ZINC000180425299 189255009 /nfs/dbraw/zinc/25/50/09/189255009.db2.gz VWVJBHGBZZDAAK-UHFFFAOYSA-N 1 1 294.402 3.326 20 30 CGEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)s2)C12CCC2 ZINC000180729204 189272576 /nfs/dbraw/zinc/27/25/76/189272576.db2.gz HLEWKVWORMIWIU-CABCVRRESA-N 1 1 290.432 3.399 20 30 CGEDMO C[C@H](NCC[N@@H+]1CCCC[C@@H]1C)c1cccc(C#N)c1 ZINC000181507137 189298376 /nfs/dbraw/zinc/29/83/76/189298376.db2.gz MIXNUDAUJWJUJS-GJZGRUSLSA-N 1 1 271.408 3.083 20 30 CGEDMO C[C@H](NCC[N@H+]1CCCC[C@@H]1C)c1cccc(C#N)c1 ZINC000181507137 189298377 /nfs/dbraw/zinc/29/83/77/189298377.db2.gz MIXNUDAUJWJUJS-GJZGRUSLSA-N 1 1 271.408 3.083 20 30 CGEDMO COC[C@H]([NH2+]Cc1ccc(C#N)cc1OC)c1ccccc1 ZINC000181674867 189303665 /nfs/dbraw/zinc/30/36/65/189303665.db2.gz CSSZOJNDRISUPW-KRWDZBQOSA-N 1 1 296.370 3.044 20 30 CGEDMO CC(C)[N@@H+]1CCC[C@H](CN[C@@H](C)c2ccc(C#N)cc2)C1 ZINC000181699832 189304273 /nfs/dbraw/zinc/30/42/73/189304273.db2.gz MYUFMWTXMDHLHQ-DOTOQJQBSA-N 1 1 285.435 3.329 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H](CN[C@@H](C)c2ccc(C#N)cc2)C1 ZINC000181699832 189304274 /nfs/dbraw/zinc/30/42/74/189304274.db2.gz MYUFMWTXMDHLHQ-DOTOQJQBSA-N 1 1 285.435 3.329 20 30 CGEDMO C[N@H+]1CC[C@@H](Nc2ccc(C#N)cc2)[C@@H]1c1ccccc1 ZINC000301820651 201216897 /nfs/dbraw/zinc/21/68/97/201216897.db2.gz BBISFXAHTMAFSL-MSOLQXFVSA-N 1 1 277.371 3.416 20 30 CGEDMO CC[N@H+]1CCCC[C@H]1CNc1cc(C#N)ccc1C(C)=O ZINC000302037559 201313242 /nfs/dbraw/zinc/31/32/42/201313242.db2.gz GEQYOYNPVKNHOF-HNNXBMFYSA-N 1 1 285.391 3.047 20 30 CGEDMO CC(=O)c1ccc(C#N)cc1NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000302117968 201348622 /nfs/dbraw/zinc/34/86/22/201348622.db2.gz SESLCQDVDIMSKP-UONOGXRCSA-N 1 1 299.418 3.293 20 30 CGEDMO CC(C)(C#N)CC[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000119686904 370697217 /nfs/dbraw/zinc/69/72/17/370697217.db2.gz MHQMRSMNCYAUJU-HNNXBMFYSA-N 1 1 264.413 3.350 20 30 CGEDMO CCn1cc(C[N@@H+](CC)[C@@H](C)c2ccc(C#N)cc2)cn1 ZINC000119855126 370715900 /nfs/dbraw/zinc/71/59/00/370715900.db2.gz KUYKKYHXLDPOAZ-AWEZNQCLSA-N 1 1 282.391 3.358 20 30 CGEDMO CC(C)(C#N)CCC[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000119884248 370718862 /nfs/dbraw/zinc/71/88/62/370718862.db2.gz QUMIRVQEBCCSAN-CABCVRRESA-N 1 1 296.480 3.303 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000120524488 370777341 /nfs/dbraw/zinc/77/73/41/370777341.db2.gz QNPFKBHISYDDES-UHFFFAOYSA-N 1 1 291.354 3.071 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000120524488 370777349 /nfs/dbraw/zinc/77/73/49/370777349.db2.gz QNPFKBHISYDDES-UHFFFAOYSA-N 1 1 291.354 3.071 20 30 CGEDMO C[C@@H]([NH2+]CCc1ccc2cn[nH]c2c1)c1ccc(C#N)cc1 ZINC000342811496 216552250 /nfs/dbraw/zinc/55/22/50/216552250.db2.gz USNYDZWDCIWHEU-CYBMUJFWSA-N 1 1 290.370 3.328 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](CCc3cscn3)CC2)cc1 ZINC000450648543 240017253 /nfs/dbraw/zinc/01/72/53/240017253.db2.gz JLWHXHDVMLQPEV-UHFFFAOYSA-N 1 1 295.411 3.347 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451416486 240296460 /nfs/dbraw/zinc/29/64/60/240296460.db2.gz GOBFBFQXKOXWGP-PILAGYSTSA-N 1 1 284.403 3.245 20 30 CGEDMO CO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)C12CCC2 ZINC000451856676 240369305 /nfs/dbraw/zinc/36/93/05/240369305.db2.gz SZOKHPONIWSSTC-HOTGVXAUSA-N 1 1 288.366 3.087 20 30 CGEDMO CO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(F)cc2C#N)C12CCC2 ZINC000451849984 240370125 /nfs/dbraw/zinc/37/01/25/240370125.db2.gz LEVSPWGEFZMTGJ-JKSUJKDBSA-N 1 1 288.366 3.087 20 30 CGEDMO CO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(F)cc2C#N)C12CCC2 ZINC000451849984 240370129 /nfs/dbraw/zinc/37/01/29/240370129.db2.gz LEVSPWGEFZMTGJ-JKSUJKDBSA-N 1 1 288.366 3.087 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000121344746 370852990 /nfs/dbraw/zinc/85/29/90/370852990.db2.gz HLWUYVSCEXSKPQ-GJZGRUSLSA-N 1 1 295.448 3.056 20 30 CGEDMO C[C@H](C1CC1)[N@@H+](CCC(=O)Nc1ccccc1C#N)C1CC1 ZINC000121401240 370858055 /nfs/dbraw/zinc/85/80/55/370858055.db2.gz IKWBMJYLTHBGES-CYBMUJFWSA-N 1 1 297.402 3.150 20 30 CGEDMO C#CCOc1ccc(CNc2ccc3c(c2)C[N@@H+](C)C3)cc1 ZINC000121289865 370849512 /nfs/dbraw/zinc/84/95/12/370849512.db2.gz FBPSZNWVMBADIY-UHFFFAOYSA-N 1 1 292.382 3.256 20 30 CGEDMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000459754524 242211645 /nfs/dbraw/zinc/21/16/45/242211645.db2.gz OFUIDKMSFDSUJS-CYBMUJFWSA-N 1 1 285.366 3.099 20 30 CGEDMO C=CC[N@@H+](C)CC(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000121462428 370862548 /nfs/dbraw/zinc/86/25/48/370862548.db2.gz LDZNUNDAPRWFTH-CYBMUJFWSA-N 1 1 286.375 3.070 20 30 CGEDMO C=CC[N@H+](C)CC(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000121462428 370862551 /nfs/dbraw/zinc/86/25/51/370862551.db2.gz LDZNUNDAPRWFTH-CYBMUJFWSA-N 1 1 286.375 3.070 20 30 CGEDMO C=CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000121565676 370874247 /nfs/dbraw/zinc/87/42/47/370874247.db2.gz KCPGYYPSQRJACD-LLVKDONJSA-N 1 1 266.772 3.093 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000121565676 370874252 /nfs/dbraw/zinc/87/42/52/370874252.db2.gz KCPGYYPSQRJACD-LLVKDONJSA-N 1 1 266.772 3.093 20 30 CGEDMO C=CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000121598729 370877011 /nfs/dbraw/zinc/87/70/11/370877011.db2.gz FWPPCBRPRMSQGG-JTQLQIEISA-N 1 1 286.297 3.150 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000121598729 370877016 /nfs/dbraw/zinc/87/70/16/370877016.db2.gz FWPPCBRPRMSQGG-JTQLQIEISA-N 1 1 286.297 3.150 20 30 CGEDMO C[C@@H](NCC1(C[NH+](C)C)CCCC1)c1ccc(C#N)cc1 ZINC000184471649 296117858 /nfs/dbraw/zinc/11/78/58/296117858.db2.gz LPAGJOPGJSECCT-OAHLLOKOSA-N 1 1 285.435 3.331 20 30 CGEDMO C[C@@H]([NH2+]CC1(CN(C)C)CCCC1)c1ccc(C#N)cc1 ZINC000184471649 296117859 /nfs/dbraw/zinc/11/78/59/296117859.db2.gz LPAGJOPGJSECCT-OAHLLOKOSA-N 1 1 285.435 3.331 20 30 CGEDMO C[C@@H]1CCCC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000481577573 243197496 /nfs/dbraw/zinc/19/74/96/243197496.db2.gz LJJWYYPXZIVWDR-OAHLLOKOSA-N 1 1 272.392 3.449 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)C[C@H]1C ZINC000481046284 243175318 /nfs/dbraw/zinc/17/53/18/243175318.db2.gz ZMZJNRRRKCHAQD-PHIMTYICSA-N 1 1 293.208 3.409 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](CC=C)CCc1ccccc1 ZINC000124450947 370924899 /nfs/dbraw/zinc/92/48/99/370924899.db2.gz BJJHEAPVEBLXGV-KRWDZBQOSA-N 1 1 259.393 3.044 20 30 CGEDMO N#CC1CC[NH+](Cc2cnc(C3CCC3)s2)CC1 ZINC000123768318 370916056 /nfs/dbraw/zinc/91/60/56/370916056.db2.gz KPLMNABINWKLMN-UHFFFAOYSA-N 1 1 261.394 3.146 20 30 CGEDMO Cc1cnc([C@H](C)[NH2+]Cc2ccc(OCC#N)cc2)s1 ZINC000123898245 370917548 /nfs/dbraw/zinc/91/75/48/370917548.db2.gz TWIMNFVGOPVMOJ-LBPRGKRZSA-N 1 1 287.388 3.205 20 30 CGEDMO C=CCNc1nnc(SCC[C@@H]2CCCC[N@@H+]2C)s1 ZINC000041295356 369180917 /nfs/dbraw/zinc/18/09/17/369180917.db2.gz JNBSHSFCRYLZIH-NSHDSACASA-N 1 1 298.481 3.103 20 30 CGEDMO CCC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)CC1CC1 ZINC000048993394 369381332 /nfs/dbraw/zinc/38/13/32/369381332.db2.gz YHSPXMHAYPIVPJ-UHFFFAOYSA-N 1 1 285.391 3.009 20 30 CGEDMO C[N@H+]1CCC[C@@H](CNc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000054241246 369499569 /nfs/dbraw/zinc/49/95/69/369499569.db2.gz QKCSTOCMZQGABH-LBPRGKRZSA-N 1 1 297.324 3.331 20 30 CGEDMO C[N@H+]1CCC[C@H](CNc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000054241245 369500031 /nfs/dbraw/zinc/50/00/31/369500031.db2.gz QKCSTOCMZQGABH-GFCCVEGCSA-N 1 1 297.324 3.331 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]C[C@@H](C)N(CC)CC ZINC000128215577 370961253 /nfs/dbraw/zinc/96/12/53/370961253.db2.gz SDCFFUMTQSTLOT-OAHLLOKOSA-N 1 1 276.424 3.071 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000054182208 369497590 /nfs/dbraw/zinc/49/75/90/369497590.db2.gz XRJHDWNUEYWKBA-LLVKDONJSA-N 1 1 254.280 3.070 20 30 CGEDMO Cn1cccc1[C@@H]1CCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000057623017 369543434 /nfs/dbraw/zinc/54/34/34/369543434.db2.gz YCJMVPFDTMKPLC-SFHVURJKSA-N 1 1 295.386 3.113 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)C(=O)Nc1cc(C)ccc1C ZINC000276356519 193298618 /nfs/dbraw/zinc/29/86/18/193298618.db2.gz FBHSNWZCLJPZMV-CQSZACIVSA-N 1 1 260.381 3.138 20 30 CGEDMO C=CC[N@H+](CCc1cnn(CC)c1)Cc1ccccc1F ZINC000276361083 193300599 /nfs/dbraw/zinc/30/05/99/193300599.db2.gz YPCBDVDRNRLBAL-UHFFFAOYSA-N 1 1 287.382 3.273 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cnn(-c2ccccc2)c1 ZINC000071816371 369812189 /nfs/dbraw/zinc/81/21/89/369812189.db2.gz COTRKVAYRYLBAB-UHFFFAOYSA-N 1 1 255.365 3.270 20 30 CGEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC=C(c2ccc(CC)cc2)CC1 ZINC000093263841 370114282 /nfs/dbraw/zinc/11/42/82/370114282.db2.gz PPNMCBHYGKTSOC-HNNXBMFYSA-N 1 1 298.430 3.029 20 30 CGEDMO CC[N@@H+](Cc1ccc(OC(C)C)c(OC)c1)C[C@@H](C)C#N ZINC000091982581 370083157 /nfs/dbraw/zinc/08/31/57/370083157.db2.gz ZQAYOCIFVBXYEP-AWEZNQCLSA-N 1 1 290.407 3.464 20 30 CGEDMO CC[N@H+](Cc1ccc(OC(C)C)c(OC)c1)C[C@@H](C)C#N ZINC000091982581 370083162 /nfs/dbraw/zinc/08/31/62/370083162.db2.gz ZQAYOCIFVBXYEP-AWEZNQCLSA-N 1 1 290.407 3.464 20 30 CGEDMO CC[N@@H+](Cc1cc(C)c(OC)c(C)c1)C[C@H](C)C#N ZINC000091982969 370083255 /nfs/dbraw/zinc/08/32/55/370083255.db2.gz XJQJWMIGDKWFSD-GFCCVEGCSA-N 1 1 260.381 3.294 20 30 CGEDMO CC[N@H+](Cc1cc(C)c(OC)c(C)c1)C[C@H](C)C#N ZINC000091982969 370083260 /nfs/dbraw/zinc/08/32/60/370083260.db2.gz XJQJWMIGDKWFSD-GFCCVEGCSA-N 1 1 260.381 3.294 20 30 CGEDMO CC[N@@H+](Cc1cc2cc(OC)ccc2o1)C[C@@H](C)C#N ZINC000091984258 370085282 /nfs/dbraw/zinc/08/52/82/370085282.db2.gz SMHREZHLVSNUQO-LBPRGKRZSA-N 1 1 272.348 3.423 20 30 CGEDMO CC[N@H+](Cc1cc2cc(OC)ccc2o1)C[C@@H](C)C#N ZINC000091984258 370085288 /nfs/dbraw/zinc/08/52/88/370085288.db2.gz SMHREZHLVSNUQO-LBPRGKRZSA-N 1 1 272.348 3.423 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)Cc1ccc(-n2cncn2)cc1 ZINC000093100919 370109713 /nfs/dbraw/zinc/10/97/13/370109713.db2.gz HLONVIFGNLDVFI-UHFFFAOYSA-N 1 1 297.406 3.029 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)Cc1ccc(-n2cncn2)cc1 ZINC000093100919 370109717 /nfs/dbraw/zinc/10/97/17/370109717.db2.gz HLONVIFGNLDVFI-UHFFFAOYSA-N 1 1 297.406 3.029 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000093438449 370129245 /nfs/dbraw/zinc/12/92/45/370129245.db2.gz RRSPXOQCOSQGOX-AWEZNQCLSA-N 1 1 272.377 3.070 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000093438449 370129250 /nfs/dbraw/zinc/12/92/50/370129250.db2.gz RRSPXOQCOSQGOX-AWEZNQCLSA-N 1 1 272.377 3.070 20 30 CGEDMO CCC[C@H]1CCCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000219334510 376200186 /nfs/dbraw/zinc/20/01/86/376200186.db2.gz UXWCQBHGYQRHBZ-DLBZAZTESA-N 1 1 272.392 3.246 20 30 CGEDMO CC(=O)Nc1cccc(CO[NH+]=C(N)C2CCCCC2)c1 ZINC000101540780 370290837 /nfs/dbraw/zinc/29/08/37/370290837.db2.gz FKRPELQIKNXSTN-UHFFFAOYSA-N 1 1 289.379 3.014 20 30 CGEDMO N#CCC[C@H](C#N)C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000112560071 370434954 /nfs/dbraw/zinc/43/49/54/370434954.db2.gz MVWGSKPTORFMDI-OAHLLOKOSA-N 1 1 289.423 3.244 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000114472407 370503118 /nfs/dbraw/zinc/50/31/18/370503118.db2.gz IJTPNYBDFQSLPT-HNNXBMFYSA-N 1 1 281.403 3.430 20 30 CGEDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1C[C@H](C#N)CCC#N ZINC000115739770 370541382 /nfs/dbraw/zinc/54/13/82/370541382.db2.gz WSXMARFVZOLVPL-VYDXJSESSA-N 1 1 267.376 3.308 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000118391238 370614115 /nfs/dbraw/zinc/61/41/15/370614115.db2.gz DSGUNZKFSMUHMA-ZDUSSCGKSA-N 1 1 294.354 3.480 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000130061356 371010297 /nfs/dbraw/zinc/01/02/97/371010297.db2.gz HSLPHBWXSOCJTM-CZUORRHYSA-N 1 1 292.448 3.213 20 30 CGEDMO CC[C@H](c1ccncc1)[N@@H+](C)CCOc1ccccc1C#N ZINC000130148142 371012890 /nfs/dbraw/zinc/01/28/90/371012890.db2.gz QPYMEFCDJIKIAT-QGZVFWFLSA-N 1 1 295.386 3.415 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000130184865 371016738 /nfs/dbraw/zinc/01/67/38/371016738.db2.gz GMPIOTGGQUNYKF-DOTOQJQBSA-N 1 1 261.409 3.185 20 30 CGEDMO C[N@H+](Cc1cccc(F)c1)Cc1cccc(C#N)c1F ZINC000219511168 376202169 /nfs/dbraw/zinc/20/21/69/376202169.db2.gz XWXOLILYOZXSFV-UHFFFAOYSA-N 1 1 272.298 3.468 20 30 CGEDMO C[N@@H+](Cc1cccc(F)c1)Cc1cccc(C#N)c1F ZINC000219511168 376202171 /nfs/dbraw/zinc/20/21/71/376202171.db2.gz XWXOLILYOZXSFV-UHFFFAOYSA-N 1 1 272.298 3.468 20 30 CGEDMO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1C[C@H](C#N)CCC#N ZINC000132567966 371184548 /nfs/dbraw/zinc/18/45/48/371184548.db2.gz ZDSWKEWXIUUBMP-YCPHGPKFSA-N 1 1 285.366 3.447 20 30 CGEDMO C=CC[N@H+](CCOc1ccccc1Br)C1CC1 ZINC000537858236 376204047 /nfs/dbraw/zinc/20/40/47/376204047.db2.gz XLHUQCCRMRZHFW-UHFFFAOYSA-N 1 1 296.208 3.478 20 30 CGEDMO COc1ccc(C[N@H+](CCC#N)CC(C)(C)C)cc1C#N ZINC000135093877 371390237 /nfs/dbraw/zinc/39/02/37/371390237.db2.gz UEVLYHVDMDCDFD-UHFFFAOYSA-N 1 1 285.391 3.329 20 30 CGEDMO COc1ccc(C[N@@H+](CCC#N)CC(C)(C)C)cc1C#N ZINC000135093877 371390239 /nfs/dbraw/zinc/39/02/39/371390239.db2.gz UEVLYHVDMDCDFD-UHFFFAOYSA-N 1 1 285.391 3.329 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCCn2c(cc3ccccc32)C1 ZINC000286812904 371557177 /nfs/dbraw/zinc/55/71/77/371557177.db2.gz AHGYTPCHRMOBEJ-KRWDZBQOSA-N 1 1 284.403 3.174 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000287184986 371617131 /nfs/dbraw/zinc/61/71/31/371617131.db2.gz CQTOEKMYVQACIE-ZIAGYGMSSA-N 1 1 291.395 3.414 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000287184986 371617135 /nfs/dbraw/zinc/61/71/35/371617135.db2.gz CQTOEKMYVQACIE-ZIAGYGMSSA-N 1 1 291.395 3.414 20 30 CGEDMO C=CC[NH+](CC=C)[C@@H](CN[C@H](C)c1cncs1)C(C)C ZINC000152068191 371669734 /nfs/dbraw/zinc/66/97/34/371669734.db2.gz FPEWYWSYBGCTOW-CABCVRRESA-N 1 1 293.480 3.492 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1 ZINC000151851761 371643110 /nfs/dbraw/zinc/64/31/10/371643110.db2.gz MMQXKNXPMKYQPI-SJORKVTESA-N 1 1 296.370 3.239 20 30 CGEDMO Cc1cccc2[nH]c(C[NH2+]Cc3cccc(C#N)c3)nc21 ZINC000153609243 371776768 /nfs/dbraw/zinc/77/67/68/371776768.db2.gz FBAVQJXKCRFNFO-UHFFFAOYSA-N 1 1 276.343 3.033 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000154038623 371812909 /nfs/dbraw/zinc/81/29/09/371812909.db2.gz MPEVPVQMHUAJRE-QGZVFWFLSA-N 1 1 293.370 3.299 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000154038623 371812917 /nfs/dbraw/zinc/81/29/17/371812917.db2.gz MPEVPVQMHUAJRE-QGZVFWFLSA-N 1 1 293.370 3.299 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)C[C@H]1CC=CCC1 ZINC000344069318 217037249 /nfs/dbraw/zinc/03/72/49/217037249.db2.gz RBDOURRNIPGCFU-HNNXBMFYSA-N 1 1 297.402 3.175 20 30 CGEDMO CCCC[C@H](C)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000290097734 371903400 /nfs/dbraw/zinc/90/34/00/371903400.db2.gz ZZHZROLLKBHOOK-XJKSGUPXSA-N 1 1 260.381 3.102 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000155131407 371907144 /nfs/dbraw/zinc/90/71/44/371907144.db2.gz ARDAEKPAHDMUTG-ZDUSSCGKSA-N 1 1 294.826 3.243 20 30 CGEDMO CC[N@H+](Cc1n[nH]cc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000290449689 371991333 /nfs/dbraw/zinc/99/13/33/371991333.db2.gz OLVKDSFRYWLVOC-CYBMUJFWSA-N 1 1 268.364 3.173 20 30 CGEDMO CC[N@@H+](Cc1n[nH]cc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000290449689 371991341 /nfs/dbraw/zinc/99/13/41/371991341.db2.gz OLVKDSFRYWLVOC-CYBMUJFWSA-N 1 1 268.364 3.173 20 30 CGEDMO CC[N@H+](Cc1[nH]ncc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000290449689 371991347 /nfs/dbraw/zinc/99/13/47/371991347.db2.gz OLVKDSFRYWLVOC-CYBMUJFWSA-N 1 1 268.364 3.173 20 30 CGEDMO CC[N@@H+](Cc1[nH]ncc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000290449689 371991353 /nfs/dbraw/zinc/99/13/53/371991353.db2.gz OLVKDSFRYWLVOC-CYBMUJFWSA-N 1 1 268.364 3.173 20 30 CGEDMO Cc1ccccc1OCC[N@H+](C)CCC(C)(C)C#N ZINC000157477270 372024318 /nfs/dbraw/zinc/02/43/18/372024318.db2.gz GXFXMWZJOJOSJD-UHFFFAOYSA-N 1 1 260.381 3.246 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cnc(C)n1-c1ccccc1 ZINC000158132327 372053068 /nfs/dbraw/zinc/05/30/68/372053068.db2.gz ZSBJSVINJCRBMK-UHFFFAOYSA-N 1 1 267.376 3.355 20 30 CGEDMO C[N@H+](CCc1ccccc1O)Cc1cc(F)ccc1C#N ZINC000344213882 217101084 /nfs/dbraw/zinc/10/10/84/217101084.db2.gz OIMFWKIBEJKBHT-UHFFFAOYSA-N 1 1 284.334 3.077 20 30 CGEDMO C[N@@H+](CCc1ccccc1O)Cc1cc(F)ccc1C#N ZINC000344213882 217101086 /nfs/dbraw/zinc/10/10/86/217101086.db2.gz OIMFWKIBEJKBHT-UHFFFAOYSA-N 1 1 284.334 3.077 20 30 CGEDMO CC[C@]1(C)CC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000344214582 217102383 /nfs/dbraw/zinc/10/23/83/217102383.db2.gz BSIKMXUOZVQIPR-CXAGYDPISA-N 1 1 285.391 3.007 20 30 CGEDMO CC[C@]1(C)CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000344224037 217107120 /nfs/dbraw/zinc/10/71/20/217107120.db2.gz UVLFIGWPBOEKGW-QGZVFWFLSA-N 1 1 285.391 3.009 20 30 CGEDMO C=CCOCC[N@@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000292848512 372226136 /nfs/dbraw/zinc/22/61/36/372226136.db2.gz QEMJOZSIBGYGBY-GOSISDBHSA-N 1 1 282.387 3.096 20 30 CGEDMO C=CCOCC[N@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000292848512 372226139 /nfs/dbraw/zinc/22/61/39/372226139.db2.gz QEMJOZSIBGYGBY-GOSISDBHSA-N 1 1 282.387 3.096 20 30 CGEDMO COCC[N@@H+](Cc1cccc(F)c1C#N)[C@H]1CC[C@@H](C)C1 ZINC000428968958 372295162 /nfs/dbraw/zinc/29/51/62/372295162.db2.gz QILFCUNCAVPACO-HIFRSBDPSA-N 1 1 290.382 3.334 20 30 CGEDMO C=C(C)CC[N@@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000429238740 372325847 /nfs/dbraw/zinc/32/58/47/372325847.db2.gz FJQOAJQUGYRHHD-CQSZACIVSA-N 1 1 262.372 3.302 20 30 CGEDMO C[C@@H](CO)[N@@H+](CC#Cc1ccc(Cl)cc1)C1CCCC1 ZINC000429623209 372375615 /nfs/dbraw/zinc/37/56/15/372375615.db2.gz HVEUEDGKXATDJG-AWEZNQCLSA-N 1 1 291.822 3.317 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000293489920 372393662 /nfs/dbraw/zinc/39/36/62/372393662.db2.gz YVNHUFKCROSDRU-KXBFYZLASA-N 1 1 294.398 3.155 20 30 CGEDMO CC(C)(C)OC1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000162597312 372405295 /nfs/dbraw/zinc/40/52/95/372405295.db2.gz MPHZNSGBTZYKEW-UHFFFAOYSA-N 1 1 290.382 3.477 20 30 CGEDMO C=CCCC(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000163383193 372465850 /nfs/dbraw/zinc/46/58/50/372465850.db2.gz QHECTYRIEWBTDI-SFHVURJKSA-N 1 1 286.419 3.124 20 30 CGEDMO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433042554 372580618 /nfs/dbraw/zinc/58/06/18/372580618.db2.gz AMNQVCNFMWWNII-NVXWUHKLSA-N 1 1 267.376 3.310 20 30 CGEDMO N#CCC[C@H](C#N)C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433042554 372580622 /nfs/dbraw/zinc/58/06/22/372580622.db2.gz AMNQVCNFMWWNII-NVXWUHKLSA-N 1 1 267.376 3.310 20 30 CGEDMO C[N@@H+](C[C@H]1CCc2ccccc2C1)CC(C)(C)C#N ZINC000433325312 372592649 /nfs/dbraw/zinc/59/26/49/372592649.db2.gz ILFJZZGGTWSWON-AWEZNQCLSA-N 1 1 256.393 3.273 20 30 CGEDMO N#Cc1cc(F)ccc1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000433797285 372633393 /nfs/dbraw/zinc/63/33/93/372633393.db2.gz VHEQQLZTEGNDLD-HNNXBMFYSA-N 1 1 273.355 3.126 20 30 CGEDMO Cc1ccc([C@@]2(C)CC[N@H+](Cc3cc(C#N)n(C)c3)C2)cc1 ZINC000435042993 372728627 /nfs/dbraw/zinc/72/86/27/372728627.db2.gz OTOYIFYMPPXGKY-IBGZPJMESA-N 1 1 293.414 3.369 20 30 CGEDMO CC1(C)CC[N@@H+](CC#Cc2ccccc2)CCS1 ZINC000434706928 372704643 /nfs/dbraw/zinc/70/46/43/372704643.db2.gz PBQUATCHOUIEIX-UHFFFAOYSA-N 1 1 259.418 3.256 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCC[C@@]3(CCCOC3)C2)cc1 ZINC000437570906 372852361 /nfs/dbraw/zinc/85/23/61/372852361.db2.gz RIOAPIUCGBQZIE-GOSISDBHSA-N 1 1 287.378 3.070 20 30 CGEDMO C=CC[C@H](C)NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437761572 372856902 /nfs/dbraw/zinc/85/69/02/372856902.db2.gz SMEFHWVHPBOHOS-HOCLYGCPSA-N 1 1 293.455 3.047 20 30 CGEDMO COc1cc(C#N)ccc1Cn1c[nH+]c2c1C[C@@H](C)[C@@H](C)C2 ZINC000295945167 372968602 /nfs/dbraw/zinc/96/86/02/372968602.db2.gz LIWZQKYSPALMQZ-QWHCGFSZSA-N 1 1 295.386 3.182 20 30 CGEDMO C=CC[N@@H+](CC1CCC1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000441318546 373000622 /nfs/dbraw/zinc/00/06/22/373000622.db2.gz PFPDHLLPIVGODN-AWEZNQCLSA-N 1 1 297.406 3.011 20 30 CGEDMO C=CC[N@@H+]1[C@H](C)C[C@H](C(=O)N[C@H](C)CC)[C@H]2CCCC[C@@H]21 ZINC000439939942 372982436 /nfs/dbraw/zinc/98/24/36/372982436.db2.gz HBSSFXOGBDZPCR-MTSZKFMLSA-N 1 1 292.467 3.356 20 30 CGEDMO CC[C@H]1CCCC[C@H]1[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000444675369 373229999 /nfs/dbraw/zinc/22/99/99/373229999.db2.gz LWCWAZIDZLMINP-DOTOQJQBSA-N 1 1 299.418 3.397 20 30 CGEDMO C[N@@H+](CCCSCC#N)Cc1cc(F)cc(F)c1 ZINC000444701374 373242261 /nfs/dbraw/zinc/24/22/61/373242261.db2.gz PROJVUNOSHDEIJ-UHFFFAOYSA-N 1 1 270.348 3.043 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)Cc1cc(Cl)ccc1F ZINC000444699756 373243297 /nfs/dbraw/zinc/24/32/97/373243297.db2.gz FPZPPZMCCZIOBJ-CYBMUJFWSA-N 1 1 271.763 3.238 20 30 CGEDMO CC(C)[N@@H+](CCC(=O)Nc1cccc(C#N)c1)CC1CCC1 ZINC000444769534 373267360 /nfs/dbraw/zinc/26/73/60/373267360.db2.gz AEGOMCSMMYWZOX-UHFFFAOYSA-N 1 1 299.418 3.397 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@@H](c2ccccc2)[C@H]2CCCO2)o1 ZINC000174320073 373290337 /nfs/dbraw/zinc/29/03/37/373290337.db2.gz CAFJVQQFTIIJGO-SJORKVTESA-N 1 1 282.343 3.161 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2ccccc2OCC2CC2)o1 ZINC000174420303 373312709 /nfs/dbraw/zinc/31/27/09/373312709.db2.gz HJOPGBMKKYTFEW-UHFFFAOYSA-N 1 1 282.343 3.230 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCCC2(CCCC2)C1 ZINC000445856070 373317553 /nfs/dbraw/zinc/31/75/53/373317553.db2.gz BWMNKNVPAOJEAH-MRXNPFEDSA-N 1 1 290.451 3.232 20 30 CGEDMO CCc1ccc([C@H](COC)[NH2+]Cc2ccc(C#N)cc2)o1 ZINC000174479307 373322830 /nfs/dbraw/zinc/32/28/30/373322830.db2.gz UAXLDKJAMRPKCK-INIZCTEOSA-N 1 1 284.359 3.191 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@]2(CO)CCC)c1 ZINC000446893198 373377767 /nfs/dbraw/zinc/37/77/67/373377767.db2.gz DDCJYFVGVLSZFT-SFHVURJKSA-N 1 1 289.419 3.378 20 30 CGEDMO N#Cc1ccc(N2CCC[N@@H+](CC3CCCCC3)CC2)nc1 ZINC000298786313 373408731 /nfs/dbraw/zinc/40/87/31/373408731.db2.gz JYHYRSLJMGKEGJ-UHFFFAOYSA-N 1 1 298.434 3.046 20 30 CGEDMO N#Cc1cccc(OCC[N@H+]2CCC[C@H]2c2ccc[nH]2)c1 ZINC000298752984 373400508 /nfs/dbraw/zinc/40/05/08/373400508.db2.gz HRPVRMZEASJCKN-KRWDZBQOSA-N 1 1 281.359 3.102 20 30 CGEDMO CCCN1CCC([NH2+][C@H](CC)c2ccc(C#N)cc2)CC1 ZINC000447516899 373442444 /nfs/dbraw/zinc/44/24/44/373442444.db2.gz QNHQJYUWQPKRPH-GOSISDBHSA-N 1 1 285.435 3.473 20 30 CGEDMO CCC[NH+]1CCC(N[C@H](CC)c2ccc(C#N)cc2)CC1 ZINC000447516899 373442459 /nfs/dbraw/zinc/44/24/59/373442459.db2.gz QNHQJYUWQPKRPH-GOSISDBHSA-N 1 1 285.435 3.473 20 30 CGEDMO CC(C)(C)C[C@H]1CC[N@@H+](CCCSCC#N)C1 ZINC000448555801 373590743 /nfs/dbraw/zinc/59/07/43/373590743.db2.gz VMDYEBIAWXZBDO-CYBMUJFWSA-N 1 1 254.443 3.391 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2nccnc2OC)CCCC1(C)C ZINC000449284763 373676445 /nfs/dbraw/zinc/67/64/45/373676445.db2.gz PXLNQGWDTNLXKF-CQSZACIVSA-N 1 1 275.396 3.052 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@@H](OC)[C@H](C)C2)c1 ZINC000449497014 373791269 /nfs/dbraw/zinc/79/12/69/373791269.db2.gz JTRHHSZHCQAONK-RHSMWYFYSA-N 1 1 275.392 3.108 20 30 CGEDMO CO[C@H]1CC[N@@H+](CC(C)(C)CCC#N)CC1(C)C ZINC000449503486 373802021 /nfs/dbraw/zinc/80/20/21/373802021.db2.gz UESUNNVOQWUCDG-ZDUSSCGKSA-N 1 1 252.402 3.063 20 30 CGEDMO CC[N@H+]1CCC[C@H]1CNc1c(Cl)cccc1C#N ZINC000450217383 374004267 /nfs/dbraw/zinc/00/42/67/374004267.db2.gz PRJNXUKDHYOMOH-LBPRGKRZSA-N 1 1 263.772 3.108 20 30 CGEDMO Cc1ccc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)nc1C#N ZINC000302826752 373977685 /nfs/dbraw/zinc/97/76/85/373977685.db2.gz NDYKOPKTCQGJBZ-MAUKXSAKSA-N 1 1 292.386 3.119 20 30 CGEDMO C=CCCC[C@@H](C)NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000181101407 374080986 /nfs/dbraw/zinc/08/09/86/374080986.db2.gz CRKDCIIVDSXFNK-CVEARBPZSA-N 1 1 295.471 3.247 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1OC ZINC000305091442 374066033 /nfs/dbraw/zinc/06/60/33/374066033.db2.gz PUGXKIFEDITWFQ-ZBFHGGJFSA-N 1 1 275.392 3.159 20 30 CGEDMO C[C@H](CN[C@@H](C)c1ccc(C#N)cc1)[NH+]1CCC(C)CC1 ZINC000181624373 374148080 /nfs/dbraw/zinc/14/80/80/374148080.db2.gz OTVFWWPEOYJIMG-CVEARBPZSA-N 1 1 285.435 3.329 20 30 CGEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CC2(C#N)CCC2)C12CCCC2 ZINC000450571797 374161729 /nfs/dbraw/zinc/16/17/29/374161729.db2.gz SNGNTIBGARLLDN-HUUCEWRRSA-N 1 1 276.424 3.350 20 30 CGEDMO Cc1cc(N[C@H](C)C[N@@H+](C)Cc2ccccc2)cc(C#N)n1 ZINC000308275233 374162356 /nfs/dbraw/zinc/16/23/56/374162356.db2.gz DSIGIIMWSKPEAN-OAHLLOKOSA-N 1 1 294.402 3.194 20 30 CGEDMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CC1(C#N)CCC1 ZINC000450585998 374163706 /nfs/dbraw/zinc/16/37/06/374163706.db2.gz NQQYQEFFEYPPKT-XJKSGUPXSA-N 1 1 270.376 3.004 20 30 CGEDMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)CC1(C#N)CCC1 ZINC000450585998 374163711 /nfs/dbraw/zinc/16/37/11/374163711.db2.gz NQQYQEFFEYPPKT-XJKSGUPXSA-N 1 1 270.376 3.004 20 30 CGEDMO CC(C)Cn1ccnc1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000181810175 374176074 /nfs/dbraw/zinc/17/60/74/374176074.db2.gz UECPBYYUJHVJHZ-CQSZACIVSA-N 1 1 282.391 3.262 20 30 CGEDMO CC[C@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)CCCO1 ZINC000311262049 374236936 /nfs/dbraw/zinc/23/69/36/374236936.db2.gz WUVCSHNJMDBQBM-AWEZNQCLSA-N 1 1 278.783 3.213 20 30 CGEDMO CC[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CCCO1 ZINC000311262049 374236945 /nfs/dbraw/zinc/23/69/45/374236945.db2.gz WUVCSHNJMDBQBM-AWEZNQCLSA-N 1 1 278.783 3.213 20 30 CGEDMO CC(C)(C)[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000317891206 374342401 /nfs/dbraw/zinc/34/24/01/374342401.db2.gz VWCBDHALCMXLMN-OAHLLOKOSA-N 1 1 299.418 3.255 20 30 CGEDMO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000319729882 374347583 /nfs/dbraw/zinc/34/75/83/374347583.db2.gz WJQBSWWRHHBROR-QLFBSQMISA-N 1 1 299.418 3.253 20 30 CGEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)/N=C/c1ccccc1O ZINC000183390828 374409360 /nfs/dbraw/zinc/40/93/60/374409360.db2.gz XNOYPEWYILXNRF-IYSPOMMRSA-N 1 1 282.387 3.332 20 30 CGEDMO Cc1ccc(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c2n[nH]cc21 ZINC000329876336 374439042 /nfs/dbraw/zinc/43/90/42/374439042.db2.gz HUVWFYWLIMGIPN-TXEJJXNPSA-N 1 1 286.379 3.332 20 30 CGEDMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1ccc(C#N)cc1OC ZINC000185656399 374706317 /nfs/dbraw/zinc/70/63/17/374706317.db2.gz LRLFIAWXXITMRB-DOMZBBRYSA-N 1 1 258.365 3.187 20 30 CGEDMO Cc1cc([NH+](C)C)cc(C)c1NCc1ccc(C#N)o1 ZINC000186268119 374825053 /nfs/dbraw/zinc/82/50/53/374825053.db2.gz VQPCCNUMZXPRFX-UHFFFAOYSA-N 1 1 269.348 3.446 20 30 CGEDMO CC[C@@]1(C)CCC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000464778447 374896936 /nfs/dbraw/zinc/89/69/36/374896936.db2.gz QFXRFXXMIBFGBP-KRWDZBQOSA-N 1 1 272.392 3.449 20 30 CGEDMO C=CC[N@H+](CCOCC(F)F)CC1CCCCC1 ZINC000469587189 374990039 /nfs/dbraw/zinc/99/00/39/374990039.db2.gz PJNDMWYAHMDBSA-UHFFFAOYSA-N 1 1 261.356 3.336 20 30 CGEDMO C=CCOCCC[N@H+](CCC)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000470769204 374998724 /nfs/dbraw/zinc/99/87/24/374998724.db2.gz KXAWVPJTAGOADU-XHSDSOJGSA-N 1 1 281.440 3.105 20 30 CGEDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000470950961 375001450 /nfs/dbraw/zinc/00/14/50/375001450.db2.gz ZYCHJMZCOGLGAF-RISCZKNCSA-N 1 1 285.284 3.450 20 30 CGEDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000470950961 375001456 /nfs/dbraw/zinc/00/14/56/375001456.db2.gz ZYCHJMZCOGLGAF-RISCZKNCSA-N 1 1 285.284 3.450 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CC[C@H](c2ccc(C)cc2C)C1 ZINC000471015823 375003182 /nfs/dbraw/zinc/00/31/82/375003182.db2.gz AFLBCWCSBPTSEF-DLBZAZTESA-N 1 1 273.420 3.420 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@@H]2CCc3c2cccc3O)c(F)c1 ZINC000334720784 375003520 /nfs/dbraw/zinc/00/35/20/375003520.db2.gz RHNZAPUFYDYKEA-MRXNPFEDSA-N 1 1 282.318 3.180 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000472583611 375026552 /nfs/dbraw/zinc/02/65/52/375026552.db2.gz FDZGHFIHPPVTNG-RYQLBKOJSA-N 1 1 273.420 3.439 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000472582891 375026913 /nfs/dbraw/zinc/02/69/13/375026913.db2.gz RYYNBQZUFLYQRQ-HUUCEWRRSA-N 1 1 253.430 3.462 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@]1(C)Cc1ccccc1 ZINC000467235125 374972153 /nfs/dbraw/zinc/97/21/53/374972153.db2.gz IOGXKOSVUPKWJA-ZWKOTPCHSA-N 1 1 273.420 3.411 20 30 CGEDMO CC[C@]1(CO)CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000187637217 375061637 /nfs/dbraw/zinc/06/16/37/375061637.db2.gz NSMYJPWXJNFXPE-KRWDZBQOSA-N 1 1 291.822 3.176 20 30 CGEDMO C[N@H+](CC#Cc1ccccc1)C[C@H]1OCCc2ccccc21 ZINC000483569325 375182342 /nfs/dbraw/zinc/18/23/42/375182342.db2.gz UPYSTGUXLVTYDB-HXUWFJFHSA-N 1 1 291.394 3.284 20 30 CGEDMO C[N@@H+](CC#Cc1ccccc1)C[C@H]1OCCc2ccccc21 ZINC000483569325 375182350 /nfs/dbraw/zinc/18/23/50/375182350.db2.gz UPYSTGUXLVTYDB-HXUWFJFHSA-N 1 1 291.394 3.284 20 30 CGEDMO C=C(C)[C@H](N[C@@H]1C[N@@H+](C)C[C@H]1C)c1ccc(F)c(F)c1 ZINC000480693035 375160723 /nfs/dbraw/zinc/16/07/23/375160723.db2.gz BMICZBUTZSYSHH-LYRGGWFBSA-N 1 1 280.362 3.122 20 30 CGEDMO C=C(C)[C@H](N[C@@H]1C[N@H+](C)C[C@H]1C)c1ccc(F)c(F)c1 ZINC000480693035 375160727 /nfs/dbraw/zinc/16/07/27/375160727.db2.gz BMICZBUTZSYSHH-LYRGGWFBSA-N 1 1 280.362 3.122 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000481266109 375163446 /nfs/dbraw/zinc/16/34/46/375163446.db2.gz CMCSKJUMONWXOW-KRWDZBQOSA-N 1 1 286.419 3.345 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccc(CC)cc1 ZINC000481213145 375163791 /nfs/dbraw/zinc/16/37/91/375163791.db2.gz QURDNMJZRDELJP-CABCVRRESA-N 1 1 288.435 3.323 20 30 CGEDMO C=C(C)C[N@@H+](C)CCOc1ccccc1Br ZINC000481280667 375164115 /nfs/dbraw/zinc/16/41/15/375164115.db2.gz FWWDEABZLKSQAU-UHFFFAOYSA-N 1 1 284.197 3.336 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000481300883 375164298 /nfs/dbraw/zinc/16/42/98/375164298.db2.gz MCLFMWNTENQRHL-OAHLLOKOSA-N 1 1 292.810 3.343 20 30 CGEDMO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)CC#Cc1ccccc1 ZINC000484084822 375186378 /nfs/dbraw/zinc/18/63/78/375186378.db2.gz LQODBPWKGWNPKP-OXQOHEQNSA-N 1 1 291.394 3.362 20 30 CGEDMO COCC[N@@H+](CC#Cc1ccccc1)[C@@H]1CC[C@H](C)C1 ZINC000484874769 375189402 /nfs/dbraw/zinc/18/94/02/375189402.db2.gz YHBKATKBAPEGLT-FUHWJXTLSA-N 1 1 271.404 3.175 20 30 CGEDMO COCC[N@@H+](CC#Cc1ccccc1)C[C@@H]1CC=CCC1 ZINC000485106275 375190565 /nfs/dbraw/zinc/19/05/65/375190565.db2.gz NROIYNYUWVFFAY-LJQANCHMSA-N 1 1 283.415 3.343 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000487874977 375280283 /nfs/dbraw/zinc/28/02/83/375280283.db2.gz FPFDSHDKAJZJBU-INIZCTEOSA-N 1 1 278.440 3.067 20 30 CGEDMO Cc1cc(C[N@H+](C[C@@H](C)O)C2CCCCC2)ccc1C#N ZINC000487885838 375282234 /nfs/dbraw/zinc/28/22/34/375282234.db2.gz ZSQSNKGOQAWLLE-OAHLLOKOSA-N 1 1 286.419 3.382 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)c1 ZINC000335424607 375283844 /nfs/dbraw/zinc/28/38/44/375283844.db2.gz NWAHKQWUJQOILJ-ZFWWWQNUSA-N 1 1 276.405 3.011 20 30 CGEDMO COC[C@@H]1CCCC[N@@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000488003589 375293469 /nfs/dbraw/zinc/29/34/69/375293469.db2.gz STWFOQNIUGOVMM-MRXNPFEDSA-N 1 1 272.392 3.115 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3cccnc3)C2)s1 ZINC000335445580 375300385 /nfs/dbraw/zinc/30/03/85/375300385.db2.gz XKPSQAODOBHZTJ-ZDUSSCGKSA-N 1 1 269.373 3.004 20 30 CGEDMO COCC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@@H]1CCC[C@@H]1C ZINC000488071139 375303308 /nfs/dbraw/zinc/30/33/08/375303308.db2.gz HTLUDDBDPMZFEW-SUMWQHHRSA-N 1 1 290.382 3.334 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000488125760 375304780 /nfs/dbraw/zinc/30/47/80/375304780.db2.gz MAGKZWPMANAOIW-MRXNPFEDSA-N 1 1 251.414 3.481 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000335304463 375259969 /nfs/dbraw/zinc/25/99/69/375259969.db2.gz GGBQJTQLEFKVHC-FUHWJXTLSA-N 1 1 298.430 3.489 20 30 CGEDMO COc1ccc(C[NH+]2CCC(C)(C#N)CC2)c(Cl)c1 ZINC000335330844 375262218 /nfs/dbraw/zinc/26/22/18/375262218.db2.gz XWYHKQJYCMIBTJ-UHFFFAOYSA-N 1 1 278.783 3.474 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@@H]3CCSC3)CC2)cc1 ZINC000335829802 375464792 /nfs/dbraw/zinc/46/47/92/375464792.db2.gz PGFWPNWVMORQGH-HNNXBMFYSA-N 1 1 284.428 3.400 20 30 CGEDMO CO[C@]1(C)CCC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000335763653 375410650 /nfs/dbraw/zinc/41/06/50/375410650.db2.gz QETKMOBPMABRNQ-CZUORRHYSA-N 1 1 258.365 3.120 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000493948812 375484812 /nfs/dbraw/zinc/48/48/12/375484812.db2.gz LCDHJSLQGNSACI-ZIAGYGMSSA-N 1 1 282.428 3.188 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)C/C(C)=C/c1ccccc1 ZINC000494232993 375486107 /nfs/dbraw/zinc/48/61/07/375486107.db2.gz FHDXKOYZCOFSKZ-VMEIHUARSA-N 1 1 259.393 3.349 20 30 CGEDMO C=CC[N@H+](C)CC1(COc2cccc(COC)c2)CC1 ZINC000494643065 375489720 /nfs/dbraw/zinc/48/97/20/375489720.db2.gz MPRWKUVTGMPRLE-UHFFFAOYSA-N 1 1 275.392 3.110 20 30 CGEDMO C[C@H]1CC[C@@](CO)([N@@H+](C)CC#Cc2ccccc2Cl)C1 ZINC000495203095 375496836 /nfs/dbraw/zinc/49/68/36/375496836.db2.gz QFFIPQQJLPIRQW-WMLDXEAASA-N 1 1 291.822 3.174 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@H]2c2cccs2)cc1C#N ZINC000191183558 375590850 /nfs/dbraw/zinc/59/08/50/375590850.db2.gz MBHNGMBHAYPHSX-AWEZNQCLSA-N 1 1 271.389 3.295 20 30 CGEDMO C=CCC1(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)CCC1 ZINC000191134619 375584308 /nfs/dbraw/zinc/58/43/08/375584308.db2.gz TTWPXDBTPKUCCZ-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(OC)cc1OC)CC1CC1 ZINC000503208053 375649951 /nfs/dbraw/zinc/64/99/51/375649951.db2.gz UPLKQZDXWKEHHX-UHFFFAOYSA-N 1 1 275.392 3.492 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cccc(OC(C)C)c1 ZINC000191757154 375659734 /nfs/dbraw/zinc/65/97/34/375659734.db2.gz KYXVQFMPNKWBET-UHFFFAOYSA-N 1 1 263.381 3.108 20 30 CGEDMO C=CC[N@@H+](CCOC)Cc1cnc(C(C)(C)C)s1 ZINC000191761476 375661531 /nfs/dbraw/zinc/66/15/31/375661531.db2.gz VJCRRATUOKRKFH-UHFFFAOYSA-N 1 1 268.426 3.075 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cnc(C(C)(C)C)s1 ZINC000191761476 375661533 /nfs/dbraw/zinc/66/15/33/375661533.db2.gz VJCRRATUOKRKFH-UHFFFAOYSA-N 1 1 268.426 3.075 20 30 CGEDMO Cc1cc(C)c2c(c1)C[N@@H+](Cc1cc(C#N)n(C)c1)CC2 ZINC000191516517 375637147 /nfs/dbraw/zinc/63/71/47/375637147.db2.gz YGEHAYIOFOWILZ-UHFFFAOYSA-N 1 1 279.387 3.072 20 30 CGEDMO Cc1nocc1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000507255282 375692503 /nfs/dbraw/zinc/69/25/03/375692503.db2.gz ZKYWVROPMBQMCH-UHFFFAOYSA-N 1 1 269.348 3.265 20 30 CGEDMO CSCC[C@H](C)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192107845 375698541 /nfs/dbraw/zinc/69/85/41/375698541.db2.gz FQHXBAFMRNZXAE-NSHDSACASA-N 1 1 266.385 3.271 20 30 CGEDMO C[C@H](c1cccnc1)[N@H+](C)CC#Cc1ccccc1 ZINC000192135355 375702991 /nfs/dbraw/zinc/70/29/91/375702991.db2.gz LMPUYDLNAUMHPA-OAHLLOKOSA-N 1 1 250.345 3.126 20 30 CGEDMO C[C@H](c1cccnc1)[N@@H+](C)CC#Cc1ccccc1 ZINC000192135355 375702993 /nfs/dbraw/zinc/70/29/93/375702993.db2.gz LMPUYDLNAUMHPA-OAHLLOKOSA-N 1 1 250.345 3.126 20 30 CGEDMO C=CC[N@H+](CC/C=C/c1cncc(OC)c1)C1CC1 ZINC000514859812 375806891 /nfs/dbraw/zinc/80/68/91/375806891.db2.gz RJUMJULQEZUTFL-GQCTYLIASA-N 1 1 258.365 3.144 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)Cc1cccc(C)c1C ZINC000515958852 375816556 /nfs/dbraw/zinc/81/65/56/375816556.db2.gz RBFZNJUBPXCGMS-UHFFFAOYSA-N 1 1 288.435 3.160 20 30 CGEDMO C=CCCCCCN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000193401771 375873141 /nfs/dbraw/zinc/87/31/41/375873141.db2.gz UYJGUTDFBUGBOZ-HOTGVXAUSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CCCCCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000193401771 375873143 /nfs/dbraw/zinc/87/31/43/375873143.db2.gz UYJGUTDFBUGBOZ-HOTGVXAUSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CCCC[N@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000528590073 375906257 /nfs/dbraw/zinc/90/62/57/375906257.db2.gz CQPBUEFSTKYCRE-UHFFFAOYSA-N 1 1 259.397 3.098 20 30 CGEDMO C=C(C)C[N@H+](CC(=O)OC)[C@@H](CC)c1ccccc1 ZINC000533534303 375955124 /nfs/dbraw/zinc/95/51/24/375955124.db2.gz GUAYJRDZBRFXSY-HNNXBMFYSA-N 1 1 261.365 3.189 20 30 CGEDMO C=C(C)C[N@@H+](CC(=O)OC)[C@@H](CC)c1ccccc1 ZINC000533534303 375955131 /nfs/dbraw/zinc/95/51/31/375955131.db2.gz GUAYJRDZBRFXSY-HNNXBMFYSA-N 1 1 261.365 3.189 20 30 CGEDMO Cc1ccccc1OCCC[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000533598803 375957158 /nfs/dbraw/zinc/95/71/58/375957158.db2.gz HFQRJSUMWJFSKR-CQSZACIVSA-N 1 1 272.392 3.388 20 30 CGEDMO Cc1ccccc1OCCC[N@H+](C[C@H](C)C#N)C1CC1 ZINC000533598803 375957164 /nfs/dbraw/zinc/95/71/64/375957164.db2.gz HFQRJSUMWJFSKR-CQSZACIVSA-N 1 1 272.392 3.388 20 30 CGEDMO C[C@H]1[C@H](Nc2cccc(C#N)n2)CC[N@H+]1Cc1ccccc1 ZINC000336710782 375913556 /nfs/dbraw/zinc/91/35/56/375913556.db2.gz KWKQOFWWJDMPOH-WMLDXEAASA-N 1 1 292.386 3.028 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000529666628 375933512 /nfs/dbraw/zinc/93/35/12/375933512.db2.gz ZTSRTSMOXNPMMD-UHFFFAOYSA-N 1 1 284.407 3.042 20 30 CGEDMO C[N@H+]1Cc2ccccc2[C@H](Nc2c(F)cc(C#N)cc2F)C1 ZINC000535266217 376032363 /nfs/dbraw/zinc/03/23/63/376032363.db2.gz PLHLALAPDLHRDJ-MRXNPFEDSA-N 1 1 299.324 3.435 20 30 CGEDMO C[N@@H+]1Cc2ccccc2[C@H](Nc2c(F)cc(C#N)cc2F)C1 ZINC000535266217 376032368 /nfs/dbraw/zinc/03/23/68/376032368.db2.gz PLHLALAPDLHRDJ-MRXNPFEDSA-N 1 1 299.324 3.435 20 30 CGEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)c2cc(C)ccc2C)C1=O ZINC000337136325 376092477 /nfs/dbraw/zinc/09/24/77/376092477.db2.gz NDKWOVKCIQAREZ-DOTOQJQBSA-N 1 1 286.419 3.083 20 30 CGEDMO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccccc1C#N ZINC000198735122 376122116 /nfs/dbraw/zinc/12/21/16/376122116.db2.gz XTARRAQYGGFIEY-UHFFFAOYSA-N 1 1 294.354 3.309 20 30 CGEDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccccc1C#N ZINC000198735122 376122124 /nfs/dbraw/zinc/12/21/24/376122124.db2.gz XTARRAQYGGFIEY-UHFFFAOYSA-N 1 1 294.354 3.309 20 30 CGEDMO C[C@@H]1CC[C@H]([N@@H+](C)CCCC2(C#N)CCOCC2)C1 ZINC000337258018 376171774 /nfs/dbraw/zinc/17/17/74/376171774.db2.gz USTDMERFSBWATP-CABCVRRESA-N 1 1 264.413 3.207 20 30 CGEDMO C=CCOc1ccc(C[N@H+](CC)CC(C)(C)O)cc1Cl ZINC000537625269 376184859 /nfs/dbraw/zinc/18/48/59/376184859.db2.gz WGTFAGFHOVNCCQ-UHFFFAOYSA-N 1 1 297.826 3.498 20 30 CGEDMO C=CCCC[C@H](C)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000538148873 376223337 /nfs/dbraw/zinc/22/33/37/376223337.db2.gz ORLQNKOJRPZLRZ-JYJNAYRXSA-N 1 1 250.430 3.147 20 30 CGEDMO C=CCCC[C@H](C)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000538148873 376223343 /nfs/dbraw/zinc/22/33/43/376223343.db2.gz ORLQNKOJRPZLRZ-JYJNAYRXSA-N 1 1 250.430 3.147 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@@H](OCC(C)C)C2)c1 ZINC000539926772 376347330 /nfs/dbraw/zinc/34/73/30/376347330.db2.gz DMKAITYWJGRTJN-GOSISDBHSA-N 1 1 289.419 3.498 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000338541889 376415492 /nfs/dbraw/zinc/41/54/92/376415492.db2.gz IPUADRDBWMTTDC-HNNXBMFYSA-N 1 1 263.356 3.383 20 30 CGEDMO C=CC[N@H+](Cc1ccc(C(=O)OC(C)C)cc1)C1CC1 ZINC000540053929 376354892 /nfs/dbraw/zinc/35/48/92/376354892.db2.gz KAXFBQGMULOYND-UHFFFAOYSA-N 1 1 273.376 3.402 20 30 CGEDMO C[C@H](NCC[N@@H+](C)C1CCCCC1)c1ccc(C#N)cc1 ZINC000540597328 376383820 /nfs/dbraw/zinc/38/38/20/376383820.db2.gz MFXSLAGVABKSHO-HNNXBMFYSA-N 1 1 285.435 3.473 20 30 CGEDMO C[C@H]([NH2+]CCN(C)C1CCCCC1)c1ccc(C#N)cc1 ZINC000540597328 376383824 /nfs/dbraw/zinc/38/38/24/376383824.db2.gz MFXSLAGVABKSHO-HNNXBMFYSA-N 1 1 285.435 3.473 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC000542252087 376523314 /nfs/dbraw/zinc/52/33/14/376523314.db2.gz GKBIEGVYHVYNDB-CYBMUJFWSA-N 1 1 272.392 3.435 20 30 CGEDMO C[C@H]1CC[C@H]([N@@H+](C)CCOc2ccccc2C#N)C1 ZINC000338984337 376611682 /nfs/dbraw/zinc/61/16/82/376611682.db2.gz ZMIADNSOZUMGDA-ZFWWWQNUSA-N 1 1 258.365 3.057 20 30 CGEDMO COc1cc(C[N@H+]2CCCCC[C@@H]2C)ccc1C#N ZINC000234966545 376626644 /nfs/dbraw/zinc/62/66/44/376626644.db2.gz NNPVLIHLZWQOJD-ZDUSSCGKSA-N 1 1 258.365 3.331 20 30 CGEDMO CC[C@H](c1ccccc1OC)[N@@H+](C)CCOCCC#N ZINC000339206908 376733798 /nfs/dbraw/zinc/73/37/98/376733798.db2.gz WVLVCEJETOCOBH-OAHLLOKOSA-N 1 1 276.380 3.008 20 30 CGEDMO CC(C)CCN(CCC#N)C(=O)CC[N@H+]1CCCC[C@H]1C ZINC000339274015 376744299 /nfs/dbraw/zinc/74/42/99/376744299.db2.gz JMQATYCXXMMTRO-MRXNPFEDSA-N 1 1 293.455 3.039 20 30 CGEDMO C[N@H+](CC1(C#N)CC1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000553954710 376848684 /nfs/dbraw/zinc/84/86/84/376848684.db2.gz ZKGVPBNIOOIOJQ-JKSUJKDBSA-N 1 1 284.403 3.468 20 30 CGEDMO C[N@@H+](CC1(C#N)CC1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000553954710 376848688 /nfs/dbraw/zinc/84/86/88/376848688.db2.gz ZKGVPBNIOOIOJQ-JKSUJKDBSA-N 1 1 284.403 3.468 20 30 CGEDMO CCCC[N@@H+](CCC(=O)N(C)CCC#N)C1CCCCC1 ZINC000339798049 376851091 /nfs/dbraw/zinc/85/10/91/376851091.db2.gz NATJOCYOPGIIDJ-UHFFFAOYSA-N 1 1 293.455 3.183 20 30 CGEDMO N#Cc1cccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246489866 377041021 /nfs/dbraw/zinc/04/10/21/377041021.db2.gz HBAKPBKQBASZQA-PKOBYXMFSA-N 1 1 295.430 3.007 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000246489866 377041055 /nfs/dbraw/zinc/04/10/55/377041055.db2.gz HBAKPBKQBASZQA-PKOBYXMFSA-N 1 1 295.430 3.007 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000246489866 377041064 /nfs/dbraw/zinc/04/10/64/377041064.db2.gz HBAKPBKQBASZQA-PKOBYXMFSA-N 1 1 295.430 3.007 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCNc1cccc(Cl)c1C#N ZINC000561020655 377202008 /nfs/dbraw/zinc/20/20/08/377202008.db2.gz JLXJNMNQBOKVPE-LBPRGKRZSA-N 1 1 277.799 3.498 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000340907862 377314607 /nfs/dbraw/zinc/31/46/07/377314607.db2.gz QOJWNTHYCWCMNG-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]2C2CCC2)c1F ZINC000340942018 377329977 /nfs/dbraw/zinc/32/99/77/377329977.db2.gz QKJAHCNDLCDZAD-HNNXBMFYSA-N 1 1 258.340 3.462 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)[C@H]1c1ccccc1 ZINC000248911687 377427021 /nfs/dbraw/zinc/42/70/21/377427021.db2.gz YDWQCHCIOLCJMG-SUMWQHHRSA-N 1 1 265.360 3.090 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(C#N)cn1 ZINC000567307290 377506002 /nfs/dbraw/zinc/50/60/02/377506002.db2.gz SICRVBINVKTWQK-UHFFFAOYSA-N 1 1 293.370 3.150 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(C#N)cn1 ZINC000567307290 377506006 /nfs/dbraw/zinc/50/60/06/377506006.db2.gz SICRVBINVKTWQK-UHFFFAOYSA-N 1 1 293.370 3.150 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](CC1Cc2ccccc2C1)C1CC1 ZINC000567287760 377506152 /nfs/dbraw/zinc/50/61/52/377506152.db2.gz OMYCQQGODPMOJU-ZDUSSCGKSA-N 1 1 254.377 3.025 20 30 CGEDMO C=CC[N@@H+](CCCc1cncn1C)CCc1ccccc1 ZINC000568289155 377517980 /nfs/dbraw/zinc/51/79/80/377517980.db2.gz CGZQXONMOQUSJV-UHFFFAOYSA-N 1 1 283.419 3.083 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000249513079 377509877 /nfs/dbraw/zinc/50/98/77/377509877.db2.gz WIPPPJOBFZYSGP-ZIAGYGMSSA-N 1 1 292.398 3.289 20 30 CGEDMO C[C@@H]1CC[N@@H+](CCC(C)(C)C#N)C[C@H]1C(=O)OC(C)(C)C ZINC000567791303 377510360 /nfs/dbraw/zinc/51/03/60/377510360.db2.gz MZACWTQVJCUEBP-ZIAGYGMSSA-N 1 1 294.439 3.226 20 30 CGEDMO C=CC[N@H+](CCCc1cncn1C)Cc1ccc(OC)cc1 ZINC000568168403 377513539 /nfs/dbraw/zinc/51/35/39/377513539.db2.gz GYCOSMYCYCIZRM-UHFFFAOYSA-N 1 1 299.418 3.050 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC000570786103 377538800 /nfs/dbraw/zinc/53/88/00/377538800.db2.gz AEYNFBTXSLGKIJ-MLGOLLRUSA-N 1 1 271.339 3.236 20 30 CGEDMO C=CCC[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)c1ccccc1 ZINC000569116456 377526968 /nfs/dbraw/zinc/52/69/68/377526968.db2.gz JKSRDZKHJPYNJN-RDJZCZTQSA-N 1 1 286.419 3.152 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)CC2(CCC2)O1 ZINC000570448845 377535975 /nfs/dbraw/zinc/53/59/75/377535975.db2.gz VDCSOQDULDAMCG-CQSZACIVSA-N 1 1 264.413 3.350 20 30 CGEDMO COC1CCC([N@@H+](C)Cc2ccc(C#N)cc2F)CC1 ZINC000265229883 190168044 /nfs/dbraw/zinc/16/80/44/190168044.db2.gz QGVGSGNDIOPLJF-UHFFFAOYSA-N 1 1 276.355 3.087 20 30 CGEDMO Cc1cnccc1CC[N@H+](CCC#N)CCC(C)C ZINC000573440236 377556394 /nfs/dbraw/zinc/55/63/94/377556394.db2.gz GEFRODQFOVNCCZ-UHFFFAOYSA-N 1 1 259.397 3.194 20 30 CGEDMO C=CC[NH+](CC=C)[C@@H](CN[C@@H](C)c1c[nH]nc1C)C(C)C ZINC000180091449 542206528 /nfs/dbraw/zinc/20/65/28/542206528.db2.gz HDJKXIVPIJOPPX-YOEHRIQHSA-N 1 1 290.455 3.067 20 30 CGEDMO C[C@H]1CCC[N@@H+](CCOc2cccc(C#N)c2)[C@H]1C ZINC000252107382 377615845 /nfs/dbraw/zinc/61/58/45/377615845.db2.gz HGCOIQWQRPWZFN-KBPBESRZSA-N 1 1 258.365 3.057 20 30 CGEDMO C[N@@H+](CCN(CC#N)Cc1ccccc1)Cc1ccccc1 ZINC000342382484 377644501 /nfs/dbraw/zinc/64/45/01/377644501.db2.gz YHXXXSQAOVEDJJ-UHFFFAOYSA-N 1 1 293.414 3.144 20 30 CGEDMO C[C@H]([NH2+]Cc1cnc2n1CCCC2)c1ccc(C#N)cc1F ZINC000574386889 377656752 /nfs/dbraw/zinc/65/67/52/377656752.db2.gz OAHFKCVJFCESQM-LBPRGKRZSA-N 1 1 298.365 3.081 20 30 CGEDMO CCCCCCC[N@H+]1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000252801733 377664045 /nfs/dbraw/zinc/66/40/45/377664045.db2.gz HBOSSAFWGWMGNB-HRCADAONSA-N 1 1 269.429 3.225 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)Nc1ccc(Cl)cc1C ZINC000342717996 377753814 /nfs/dbraw/zinc/75/38/14/377753814.db2.gz GUBOLABRQFMDKS-UHFFFAOYSA-N 1 1 266.772 3.095 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000342719369 377754468 /nfs/dbraw/zinc/75/44/68/377754468.db2.gz IRVSNIUCBPAEMA-KGLIPLIRSA-N 1 1 292.448 3.308 20 30 CGEDMO Cc1[nH+]ccn1CCCSc1ccc(C#N)cc1F ZINC000342728353 377758968 /nfs/dbraw/zinc/75/89/68/377758968.db2.gz MLMIAXBPAGERFB-UHFFFAOYSA-N 1 1 275.352 3.385 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(Oc2ccccc2)nn1 ZINC000342737304 377764305 /nfs/dbraw/zinc/76/43/05/377764305.db2.gz RNQYVLIIWQNEBX-UHFFFAOYSA-N 1 1 269.348 3.277 20 30 CGEDMO Cc1cc(NC[C@H]2CCCC[N@@H+]2CC(C)C)cc(C#N)n1 ZINC000342782095 377788557 /nfs/dbraw/zinc/78/85/57/377788557.db2.gz OXDVMNWWGXRXKE-QGZVFWFLSA-N 1 1 286.423 3.184 20 30 CGEDMO Cc1cnc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)n1C ZINC000342794668 377798513 /nfs/dbraw/zinc/79/85/13/377798513.db2.gz VDLNBABINHFSCS-UHFFFAOYSA-N 1 1 296.418 3.258 20 30 CGEDMO Cc1cnc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)n1C ZINC000342794668 377798522 /nfs/dbraw/zinc/79/85/22/377798522.db2.gz VDLNBABINHFSCS-UHFFFAOYSA-N 1 1 296.418 3.258 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)[C@@H](C)C1 ZINC000265866689 378010873 /nfs/dbraw/zinc/01/08/73/378010873.db2.gz UHUWDFIVBCKELE-KBPBESRZSA-N 1 1 258.365 3.209 20 30 CGEDMO Cc1cnc(CC[N@H+](C)Cc2ccc(CC#N)cc2)s1 ZINC000343426396 377976971 /nfs/dbraw/zinc/97/69/71/377976971.db2.gz QJSWCNWYWXMJFV-UHFFFAOYSA-N 1 1 285.416 3.192 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2Cc2ccccc2)nc1 ZINC000578586199 378083345 /nfs/dbraw/zinc/08/33/45/378083345.db2.gz MCMZXSWTMYLLMH-GOSISDBHSA-N 1 1 277.371 3.160 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1c1cccc(OC)c1 ZINC000268529193 378070390 /nfs/dbraw/zinc/07/03/90/378070390.db2.gz FDEOJRNHMUSVIT-WBVHZDCISA-N 1 1 275.392 3.159 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(OC)cc1 ZINC000268527893 378070982 /nfs/dbraw/zinc/07/09/82/378070982.db2.gz DQIDJERRJDVNJU-DOTOQJQBSA-N 1 1 275.392 3.159 20 30 CGEDMO C=CCCCC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268552875 378073538 /nfs/dbraw/zinc/07/35/38/378073538.db2.gz MXLKEUVEGBEXME-KRWDZBQOSA-N 1 1 286.419 3.076 20 30 CGEDMO N#CCSCCC[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000266777852 378025445 /nfs/dbraw/zinc/02/54/45/378025445.db2.gz XDGACFFVGVAXQA-AWEZNQCLSA-N 1 1 278.396 3.262 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H]2CCC[C@@H]21 ZINC000578993173 378121157 /nfs/dbraw/zinc/12/11/57/378121157.db2.gz SIGAUQZTNCMPSD-GJZGRUSLSA-N 1 1 299.374 3.477 20 30 CGEDMO C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1cscn1 ZINC000579025486 378124012 /nfs/dbraw/zinc/12/40/12/378124012.db2.gz FAPMHNIYWLCCAZ-IINYFYTJSA-N 1 1 269.373 3.353 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1c(C)nc2sccn12 ZINC000579195420 378139249 /nfs/dbraw/zinc/13/92/49/378139249.db2.gz WULYUGTVZROVCF-UHFFFAOYSA-N 1 1 263.410 3.492 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)Cc1cncc(OC)c1 ZINC000343975232 378149043 /nfs/dbraw/zinc/14/90/43/378149043.db2.gz RRCDNOIYCJJZLO-UHFFFAOYSA-N 1 1 274.389 3.340 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)Cc1cncc(OC)c1 ZINC000343975232 378149047 /nfs/dbraw/zinc/14/90/47/378149047.db2.gz RRCDNOIYCJJZLO-UHFFFAOYSA-N 1 1 274.389 3.340 20 30 CGEDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000268736506 378098291 /nfs/dbraw/zinc/09/82/91/378098291.db2.gz YKRNTMIBCHFVAC-XFKAJCMBSA-N 1 1 284.403 3.245 20 30 CGEDMO N#Cc1ncccc1S[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000580094615 378223759 /nfs/dbraw/zinc/22/37/59/378223759.db2.gz QHYKHSKRGSCHPR-HNNXBMFYSA-N 1 1 295.411 3.320 20 30 CGEDMO C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000269774953 378266038 /nfs/dbraw/zinc/26/60/38/378266038.db2.gz CWWOIYALHQPEND-GDBMZVCRSA-N 1 1 286.419 3.223 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H](C)COC ZINC000582268588 378298735 /nfs/dbraw/zinc/29/87/35/378298735.db2.gz VNHJGFWVJDVZMZ-OAHLLOKOSA-N 1 1 279.428 3.125 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1(C)C ZINC000583266476 378315990 /nfs/dbraw/zinc/31/59/90/378315990.db2.gz LENVVFQZEBTEDR-LBPRGKRZSA-N 1 1 287.363 3.334 20 30 CGEDMO C#CC[C@@H]([NH2+]Cc1nccn1C(F)F)c1ccccc1 ZINC000270241361 378325636 /nfs/dbraw/zinc/32/56/36/378325636.db2.gz SFKASIOQPJGXMI-CYBMUJFWSA-N 1 1 275.302 3.132 20 30 CGEDMO C=C[C@H](CC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000270241393 378325841 /nfs/dbraw/zinc/32/58/41/378325841.db2.gz LEMSADVFZQTTTQ-NXHRZFHOSA-N 1 1 298.430 3.089 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)nc1 ZINC000583879726 378355549 /nfs/dbraw/zinc/35/55/49/378355549.db2.gz AEWGPVPSRMTEPE-HNNXBMFYSA-N 1 1 281.334 3.082 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)c1 ZINC000271125940 378457493 /nfs/dbraw/zinc/45/74/93/378457493.db2.gz MJHKUFMFEGLKCJ-SJORKVTESA-N 1 1 273.376 3.005 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCO[C@H]3CCC[C@H]32)c1 ZINC000271125940 378457494 /nfs/dbraw/zinc/45/74/94/378457494.db2.gz MJHKUFMFEGLKCJ-SJORKVTESA-N 1 1 273.376 3.005 20 30 CGEDMO C[C@H](C#N)C[N@H+](C)Cc1cccc(-c2cccnc2)c1 ZINC000271142339 378461534 /nfs/dbraw/zinc/46/15/34/378461534.db2.gz VVQOGDGZWMVNPW-CQSZACIVSA-N 1 1 265.360 3.340 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C)Cc1cccc(-c2cccnc2)c1 ZINC000271142339 378461538 /nfs/dbraw/zinc/46/15/38/378461538.db2.gz VVQOGDGZWMVNPW-CQSZACIVSA-N 1 1 265.360 3.340 20 30 CGEDMO CN1CC[N@H+](Cc2ccc(C#N)s2)Cc2ccccc21 ZINC000271159588 378466273 /nfs/dbraw/zinc/46/62/73/378466273.db2.gz PAFDLUUNLRKKAI-UHFFFAOYSA-N 1 1 283.400 3.072 20 30 CGEDMO CN1CC[N@@H+](Cc2ccc(C#N)s2)Cc2ccccc21 ZINC000271159588 378466279 /nfs/dbraw/zinc/46/62/79/378466279.db2.gz PAFDLUUNLRKKAI-UHFFFAOYSA-N 1 1 283.400 3.072 20 30 CGEDMO C=CCCC[N@H+](C)Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000271165986 378468280 /nfs/dbraw/zinc/46/82/80/378468280.db2.gz CGEGEOFXWKEDAM-UHFFFAOYSA-N 1 1 299.374 3.203 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000271032954 378434162 /nfs/dbraw/zinc/43/41/62/378434162.db2.gz IGQWSDKDCKBOCN-MRXNPFEDSA-N 1 1 272.392 3.390 20 30 CGEDMO CC(C)(O)C[N@@H+](Cc1ccccc1)Cc1ccccc1C#N ZINC000272007319 378544178 /nfs/dbraw/zinc/54/41/78/378544178.db2.gz VIKXLBLUFUJNBT-UHFFFAOYSA-N 1 1 294.398 3.331 20 30 CGEDMO C[C@]1(CCCO)CCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000272073840 378557066 /nfs/dbraw/zinc/55/70/66/378557066.db2.gz ZUSIPCHYRAMWFQ-QGZVFWFLSA-N 1 1 291.822 3.319 20 30 CGEDMO C#CC[C@@H]([NH2+]Cc1cc(OC)cc(C)n1)c1ccccc1 ZINC000272143252 378571657 /nfs/dbraw/zinc/57/16/57/378571657.db2.gz PDAXBJZNYZPKOR-GOSISDBHSA-N 1 1 280.371 3.253 20 30 CGEDMO CC[C@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)N1CCCC1 ZINC000271960710 378529744 /nfs/dbraw/zinc/52/97/44/378529744.db2.gz UICOPUUAZQYYHL-XJKSGUPXSA-N 1 1 289.398 3.222 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)C[C@@H](O)c1ccc(F)cc1 ZINC000272287998 378605814 /nfs/dbraw/zinc/60/58/14/378605814.db2.gz NUIHRHIJPUAMKN-QGZVFWFLSA-N 1 1 289.350 3.183 20 30 CGEDMO C=C(C)C[N@H+](CCc1cnn(C)c1)Cc1ccccc1 ZINC000348169714 378821365 /nfs/dbraw/zinc/82/13/65/378821365.db2.gz SSSJIIRRGURQIY-UHFFFAOYSA-N 1 1 269.392 3.041 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000348241136 378859059 /nfs/dbraw/zinc/85/90/59/378859059.db2.gz IJFRVOYLXVRHQK-GWCFXTLKSA-N 1 1 298.308 3.340 20 30 CGEDMO N#Cc1cccc(OCC[N@H+]2CCC[C@@H]2c2cccnc2)c1 ZINC000346997318 218084207 /nfs/dbraw/zinc/08/42/07/218084207.db2.gz YKPCBSFJTJISMP-GOSISDBHSA-N 1 1 293.370 3.169 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2ccc3nccnc3c2)C1 ZINC000639307929 379258693 /nfs/dbraw/zinc/25/86/93/379258693.db2.gz ASTAJTLCWHABTC-CQSZACIVSA-N 1 1 267.376 3.418 20 30 CGEDMO C[N@@H+](CCc1ccc2c(c1)CCO2)Cc1cccc(C#N)c1 ZINC000266560142 190267071 /nfs/dbraw/zinc/26/70/71/190267071.db2.gz XDMKDRISHKMJGE-UHFFFAOYSA-N 1 1 292.382 3.168 20 30 CGEDMO Cc1cccc(C[N@@H+](C)Cc2cnc3ccc(C#N)cn23)c1 ZINC000349698926 379349068 /nfs/dbraw/zinc/34/90/68/379349068.db2.gz JGTGKINMKQLHDB-UHFFFAOYSA-N 1 1 290.370 3.146 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)CCCCC(F)(F)F)n1 ZINC000279663850 379484336 /nfs/dbraw/zinc/48/43/36/379484336.db2.gz DERYODNUYFRFGX-UHFFFAOYSA-N 1 1 287.329 3.071 20 30 CGEDMO C=CC[N@@H+](Cc1ncccc1C(F)(F)F)C1CC1 ZINC000350316709 379537719 /nfs/dbraw/zinc/53/77/19/379537719.db2.gz KYWRSXBSPZENBJ-UHFFFAOYSA-N 1 1 256.271 3.251 20 30 CGEDMO C=CC[N@H+](Cc1ncccc1C(F)(F)F)C1CC1 ZINC000350316709 379537727 /nfs/dbraw/zinc/53/77/27/379537727.db2.gz KYWRSXBSPZENBJ-UHFFFAOYSA-N 1 1 256.271 3.251 20 30 CGEDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](CCCCC(C)(C)C#N)[C@H]1[C@H]3C2 ZINC000375785529 379509667 /nfs/dbraw/zinc/50/96/67/379509667.db2.gz AZUWBFCYJXAJAP-UVPYHEFZSA-N 1 1 276.424 3.062 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000375962775 379516738 /nfs/dbraw/zinc/51/67/38/379516738.db2.gz PDRQJRODVHOBJR-KRWDZBQOSA-N 1 1 290.382 3.049 20 30 CGEDMO C[N@H+](CCCC(=O)c1ccccc1)[C@@H]1CCC[C@@H]1C#N ZINC000640029590 379694626 /nfs/dbraw/zinc/69/46/26/379694626.db2.gz JVFUDZLWGSYFAL-HZPDHXFCSA-N 1 1 270.376 3.274 20 30 CGEDMO C[N@@H+](CCCC(=O)c1ccccc1)[C@@H]1CCC[C@@H]1C#N ZINC000640029590 379694630 /nfs/dbraw/zinc/69/46/30/379694630.db2.gz JVFUDZLWGSYFAL-HZPDHXFCSA-N 1 1 270.376 3.274 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000351845200 379745598 /nfs/dbraw/zinc/74/55/98/379745598.db2.gz QUHOFHSVWAQDSM-OAHLLOKOSA-N 1 1 272.392 3.303 20 30 CGEDMO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000280908927 379809548 /nfs/dbraw/zinc/80/95/48/379809548.db2.gz RVTWQLMLNYTBED-HSMVNMDESA-N 1 1 279.355 3.163 20 30 CGEDMO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)nn1C ZINC000282097654 379852008 /nfs/dbraw/zinc/85/20/08/379852008.db2.gz IMNQKMNYFBKKBF-QWHCGFSZSA-N 1 1 268.364 3.012 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1C[C@H](C)CC1(C)C ZINC000380384440 379863707 /nfs/dbraw/zinc/86/37/07/379863707.db2.gz PQMVXAYPYDFLNT-GFCCVEGCSA-N 1 1 258.365 3.187 20 30 CGEDMO Cc1ccoc1C[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000399009601 379933462 /nfs/dbraw/zinc/93/34/62/379933462.db2.gz WMFNPOQYJQZJRS-UHFFFAOYSA-N 1 1 254.333 3.286 20 30 CGEDMO CC[C@]1(C)CC[N@@H+](Cc2ccc(C#N)c(OC)c2)C1 ZINC000399440310 379941232 /nfs/dbraw/zinc/94/12/32/379941232.db2.gz DUUIEWAGFNWEMY-MRXNPFEDSA-N 1 1 258.365 3.189 20 30 CGEDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1cc(C#N)ccc1OC ZINC000399742144 379943452 /nfs/dbraw/zinc/94/34/52/379943452.db2.gz JJRKYACRWMRNDG-WFASDCNBSA-N 1 1 258.365 3.187 20 30 CGEDMO COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1nc(C#N)cs1 ZINC000352843365 379998335 /nfs/dbraw/zinc/99/83/35/379998335.db2.gz ZGAMQZCQIMXIJJ-HNNXBMFYSA-N 1 1 299.399 3.191 20 30 CGEDMO C=CCOc1cccc(C[NH2+][C@@H](c2nccn2C)C2CC2)c1 ZINC000353039284 380089183 /nfs/dbraw/zinc/08/91/83/380089183.db2.gz PMMYCWDQFVLATF-QGZVFWFLSA-N 1 1 297.402 3.226 20 30 CGEDMO C=CCCc1ccccc1NC(=O)C[N@H+](CC)C1CC1 ZINC000410344010 380087187 /nfs/dbraw/zinc/08/71/87/380087187.db2.gz JAWGSWWFJZMVHQ-UHFFFAOYSA-N 1 1 272.392 3.228 20 30 CGEDMO CC(C)COCC[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000409446881 380037542 /nfs/dbraw/zinc/03/75/42/380037542.db2.gz XGUSTUSYIDQARS-MSOLQXFVSA-N 1 1 286.419 3.431 20 30 CGEDMO CC(C)COCC[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000409446881 380037551 /nfs/dbraw/zinc/03/75/51/380037551.db2.gz XGUSTUSYIDQARS-MSOLQXFVSA-N 1 1 286.419 3.431 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H]1CC[C@H](C)O1 ZINC000352923692 380039384 /nfs/dbraw/zinc/03/93/84/380039384.db2.gz VXQAYDIZMFYUDU-RDJZCZTQSA-N 1 1 291.439 3.410 20 30 CGEDMO COC(=O)[C@@H](C)C[N@@H+](CCC1(C#N)CCCCC1)C1CC1 ZINC000411216651 380137164 /nfs/dbraw/zinc/13/71/64/380137164.db2.gz KBEOKGBUWCMSSH-AWEZNQCLSA-N 1 1 292.423 3.124 20 30 CGEDMO C[C@@H]1C[C@H](Nc2ncccc2C#N)C[N@H+]1Cc1ccccc1 ZINC000268117711 190378095 /nfs/dbraw/zinc/37/80/95/190378095.db2.gz FDVFQMPTBKRCJH-PBHICJAKSA-N 1 1 292.386 3.028 20 30 CGEDMO C=CCC(CC=C)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000268184037 190383660 /nfs/dbraw/zinc/38/36/60/190383660.db2.gz JIUVNLAQYZCRLN-INIZCTEOSA-N 1 1 278.440 3.088 20 30 CGEDMO N#CC1(CC[N@H+]2CCO[C@@H]3CCC[C@@H]32)CCCCC1 ZINC000411189610 380134484 /nfs/dbraw/zinc/13/44/84/380134484.db2.gz MUBLKGYBJJIUMB-LSDHHAIUSA-N 1 1 262.397 3.104 20 30 CGEDMO C[C@@H]1CCC[C@@H](C)[NH+]1CCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353411062 380206656 /nfs/dbraw/zinc/20/66/56/380206656.db2.gz JIPVIMVTJUHTSD-SPYBWZPUSA-N 1 1 297.446 3.398 20 30 CGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)[C@H](C)C(C)C ZINC000642253128 380154715 /nfs/dbraw/zinc/15/47/15/380154715.db2.gz BOPQITBYTBTNEU-WBVHZDCISA-N 1 1 291.435 3.131 20 30 CGEDMO CCC[N@H+]1CCC[C@H]1CN[C@@H](C)c1ccc(C#N)cc1F ZINC000353974159 380259910 /nfs/dbraw/zinc/25/99/10/380259910.db2.gz RNYOAYRBWLTERX-ZFWWWQNUSA-N 1 1 289.398 3.222 20 30 CGEDMO CCCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000353974159 380259916 /nfs/dbraw/zinc/25/99/16/380259916.db2.gz RNYOAYRBWLTERX-ZFWWWQNUSA-N 1 1 289.398 3.222 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccc(C)nn1 ZINC000414379297 380217498 /nfs/dbraw/zinc/21/74/98/380217498.db2.gz IHDGFTGEZWQBBO-UHFFFAOYSA-N 1 1 267.376 3.016 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@H]2COC)cc1Cl ZINC000354059406 380304056 /nfs/dbraw/zinc/30/40/56/380304056.db2.gz RRWGKXIZADTDLH-ZDUSSCGKSA-N 1 1 281.783 3.126 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H]2COC)cc1Cl ZINC000354059406 380304061 /nfs/dbraw/zinc/30/40/61/380304061.db2.gz RRWGKXIZADTDLH-ZDUSSCGKSA-N 1 1 281.783 3.126 20 30 CGEDMO C=CCC(C)(C)c1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1 ZINC000644573690 380453023 /nfs/dbraw/zinc/45/30/23/380453023.db2.gz RQHLZIPZYVMAPW-YHWZYXNKSA-N 1 1 275.396 3.264 20 30 CGEDMO C=C[C@@H]1CCCCN1C(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000416220056 380524180 /nfs/dbraw/zinc/52/41/80/380524180.db2.gz IXSMEPIZSFDYRN-GOSISDBHSA-N 1 1 298.430 3.002 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CCC[C@H]1C ZINC000355683728 380750007 /nfs/dbraw/zinc/75/00/07/380750007.db2.gz OABGLMNUFPMFMB-RHSMWYFYSA-N 1 1 272.392 3.195 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](CCOCC3CCC3)CC2)cc1 ZINC000419232498 380785216 /nfs/dbraw/zinc/78/52/16/380785216.db2.gz USWKTFHMRAOSHB-UHFFFAOYSA-N 1 1 296.414 3.464 20 30 CGEDMO C[N@@H+](CCOCCC#N)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419330186 380805480 /nfs/dbraw/zinc/80/54/80/380805480.db2.gz HRRAZTJQPDUMAK-ZIAGYGMSSA-N 1 1 252.402 3.063 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](O)[C@@H]1CCc1ccccc1 ZINC000646072007 380822375 /nfs/dbraw/zinc/82/23/75/380822375.db2.gz NOCKHFDMMUTDKA-DLBZAZTESA-N 1 1 259.393 3.021 20 30 CGEDMO OCC[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000421025293 380869922 /nfs/dbraw/zinc/86/99/22/380869922.db2.gz YJDBBRUHUCVEMS-HNNXBMFYSA-N 1 1 291.822 3.176 20 30 CGEDMO C[C@H]1CC2(C[N@H+]1CC#Cc1ccc(F)cc1)CCOCC2 ZINC000646098406 380834344 /nfs/dbraw/zinc/83/43/44/380834344.db2.gz VVFSQHYVGTYHKB-HNNXBMFYSA-N 1 1 287.378 3.068 20 30 CGEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000646116735 380839607 /nfs/dbraw/zinc/83/96/07/380839607.db2.gz DDGDGYNGOXUBBA-DOTOQJQBSA-N 1 1 296.414 3.070 20 30 CGEDMO CC(C)c1cnc(C[NH2+]Cc2ccc(C#N)s2)s1 ZINC000421354399 380892307 /nfs/dbraw/zinc/89/23/07/380892307.db2.gz WHSCTJKUUGYEEL-UHFFFAOYSA-N 1 1 277.418 3.489 20 30 CGEDMO CC[C@@H]1C[C@@H](C[N@@H+](C)Cc2cc(C#N)ccc2F)CCO1 ZINC000356912519 380934968 /nfs/dbraw/zinc/93/49/68/380934968.db2.gz JPFXQNJRSLHGMH-GOEBONIOSA-N 1 1 290.382 3.334 20 30 CGEDMO C[C@@H]1CC[N@@H+](CCOc2cccc(C#N)c2)CC12CCC2 ZINC000357012140 380986671 /nfs/dbraw/zinc/98/66/71/380986671.db2.gz PXTQKWUXQXNRIN-OAHLLOKOSA-N 1 1 284.403 3.449 20 30 CGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2cccnc2C#N)C1 ZINC000357172690 381051969 /nfs/dbraw/zinc/05/19/69/381051969.db2.gz NBZPJGCMXCRRMS-GDBMZVCRSA-N 1 1 292.386 3.201 20 30 CGEDMO C=CC[N@H+](Cc1cccc(OC(F)F)c1)C1CC1 ZINC000357529514 381196113 /nfs/dbraw/zinc/19/61/13/381196113.db2.gz JVCPTGIISDUVDZ-UHFFFAOYSA-N 1 1 253.292 3.438 20 30 CGEDMO C=C(CC)C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 ZINC000358636207 381321149 /nfs/dbraw/zinc/32/11/49/381321149.db2.gz UQNLWDPUYRAMCB-SFHVURJKSA-N 1 1 298.430 3.002 20 30 CGEDMO C=C(CC)C[N@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 ZINC000358636207 381321161 /nfs/dbraw/zinc/32/11/61/381321161.db2.gz UQNLWDPUYRAMCB-SFHVURJKSA-N 1 1 298.430 3.002 20 30 CGEDMO C=C(CC)C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1 ZINC000358636205 381321265 /nfs/dbraw/zinc/32/12/65/381321265.db2.gz UQNLWDPUYRAMCB-GOSISDBHSA-N 1 1 298.430 3.002 20 30 CGEDMO C=C(CC)C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1 ZINC000358636205 381321277 /nfs/dbraw/zinc/32/12/77/381321277.db2.gz UQNLWDPUYRAMCB-GOSISDBHSA-N 1 1 298.430 3.002 20 30 CGEDMO C=C(CC)C[N@@H+](Cc1ccc(O)c(OC)c1)C1CC1 ZINC000358827001 381327761 /nfs/dbraw/zinc/32/77/61/381327761.db2.gz IDGIUKRRMYJVLF-UHFFFAOYSA-N 1 1 261.365 3.331 20 30 CGEDMO N#CCC[N@@H+](CC1CC1)C[C@H]1CCc2ccccc2C1 ZINC000359605208 381354857 /nfs/dbraw/zinc/35/48/57/381354857.db2.gz XXPLLCGTDQDKLQ-INIZCTEOSA-N 1 1 268.404 3.417 20 30 CGEDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000360475311 381553995 /nfs/dbraw/zinc/55/39/95/381553995.db2.gz BJDSWRHIMCWDJI-BBRMVZONSA-N 1 1 267.376 3.431 20 30 CGEDMO CC(C)CC[C@H](O)C[N@@H+](CCC#N)CCC(C)C ZINC000361298035 381681783 /nfs/dbraw/zinc/68/17/83/381681783.db2.gz BTXPPNPDKSZDFZ-HNNXBMFYSA-N 1 1 254.418 3.045 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000361525551 381786558 /nfs/dbraw/zinc/78/65/58/381786558.db2.gz NTLYZVASSZXWAQ-HOCLYGCPSA-N 1 1 267.413 3.001 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(N(C)CC)nc1 ZINC000361595933 381828052 /nfs/dbraw/zinc/82/80/52/381828052.db2.gz YXDGEPPNWAHGSE-UHFFFAOYSA-N 1 1 299.418 3.361 20 30 CGEDMO COCC[N@@H+](Cc1cc(C#N)cs1)[C@H]1CC[C@H](C)C1 ZINC000361626147 381845380 /nfs/dbraw/zinc/84/53/80/381845380.db2.gz BMNNVZGLHFBDDV-JSGCOSHPSA-N 1 1 278.421 3.257 20 30 CGEDMO Cc1ccccc1-c1nc(C[NH2+]CC(C)(C)CCC#N)no1 ZINC000361584657 381817361 /nfs/dbraw/zinc/81/73/61/381817361.db2.gz FQQQICJNGUFQHJ-UHFFFAOYSA-N 1 1 298.390 3.465 20 30 CGEDMO Cc1cc(C[N@@H+](C)Cc2ccc3c(c2)OCO3)ccc1C#N ZINC000362958455 382163942 /nfs/dbraw/zinc/16/39/42/382163942.db2.gz PNSVUUYYLBXWMP-UHFFFAOYSA-N 1 1 294.354 3.227 20 30 CGEDMO C[C@@H]1C[C@H](C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)CCO1 ZINC000335329982 208203190 /nfs/dbraw/zinc/20/31/90/208203190.db2.gz SFBMPKPIOZOGBD-NVXWUHKLSA-N 1 1 296.414 3.462 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccccc1[N+](=O)[O-] ZINC000358206294 533443207 /nfs/dbraw/zinc/44/32/07/533443207.db2.gz RVHPIRGJDAUFJY-LLVKDONJSA-N 1 1 299.305 3.456 20 30 CGEDMO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000191249970 130209391 /nfs/dbraw/zinc/20/93/91/130209391.db2.gz GIOYKAYSXQOPAT-HNNXBMFYSA-N 1 1 285.416 3.468 20 30 CGEDMO C[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1cccc(F)c1F ZINC000191528775 130248958 /nfs/dbraw/zinc/24/89/58/130248958.db2.gz MRIRJFQIEMQGHL-JTQLQIEISA-N 1 1 275.302 3.026 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000191889528 130324285 /nfs/dbraw/zinc/32/42/85/130324285.db2.gz MITHJIGYVPCYIV-MRXNPFEDSA-N 1 1 285.387 3.160 20 30 CGEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccccn1 ZINC000078521650 392218295 /nfs/dbraw/zinc/21/82/95/392218295.db2.gz PZDGRARJTPRROG-UHFFFAOYSA-N 1 1 263.344 3.141 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccccn1 ZINC000078521650 392218300 /nfs/dbraw/zinc/21/83/00/392218300.db2.gz PZDGRARJTPRROG-UHFFFAOYSA-N 1 1 263.344 3.141 20 30 CGEDMO C=CC[N@@H+](C)Cc1c[nH]c(=NC(=O)OC(C)(C)C)s1 ZINC000282539845 392291864 /nfs/dbraw/zinc/29/18/64/392291864.db2.gz QXHRGUNKNQBDHU-UHFFFAOYSA-N 1 1 283.397 3.108 20 30 CGEDMO C=CC[N@H+](C)Cc1c[nH]c(=NC(=O)OC(C)(C)C)s1 ZINC000282539845 392291867 /nfs/dbraw/zinc/29/18/67/392291867.db2.gz QXHRGUNKNQBDHU-UHFFFAOYSA-N 1 1 283.397 3.108 20 30 CGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@H]1C ZINC000245460268 131084967 /nfs/dbraw/zinc/08/49/67/131084967.db2.gz VRQRIDPAKIMTBS-ZIAGYGMSSA-N 1 1 292.448 3.136 20 30 CGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+]1CCC[C@H]1C ZINC000245433709 131085612 /nfs/dbraw/zinc/08/56/12/131085612.db2.gz BYMRBWLFKGTSMG-GHMZBOCLSA-N 1 1 291.782 3.023 20 30 CGEDMO CC(C)(CCC#N)CN1CC[NH+](CCc2ccccc2)CC1 ZINC000122329107 392421053 /nfs/dbraw/zinc/42/10/53/392421053.db2.gz FCIRBESNPMMKTO-UHFFFAOYSA-N 1 1 299.462 3.177 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1c1nc2cc(C)ccc2[nH]1 ZINC000289465890 392422705 /nfs/dbraw/zinc/42/27/05/392422705.db2.gz YQMIALFSMGTGHF-PBHICJAKSA-N 1 1 299.418 3.335 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000289465890 392422713 /nfs/dbraw/zinc/42/27/13/392422713.db2.gz YQMIALFSMGTGHF-PBHICJAKSA-N 1 1 299.418 3.335 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000289465890 392422720 /nfs/dbraw/zinc/42/27/20/392422720.db2.gz YQMIALFSMGTGHF-PBHICJAKSA-N 1 1 299.418 3.335 20 30 CGEDMO C=C(Br)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000125130652 392437924 /nfs/dbraw/zinc/43/79/24/392437924.db2.gz RJWNUZVMCMQVBR-VIFPVBQESA-N 1 1 285.141 3.154 20 30 CGEDMO Cc1cnn([C@H]2CC[N@H+]([C@H](C)c3ccc(C#N)cc3)C2)c1 ZINC000290030013 392439803 /nfs/dbraw/zinc/43/98/03/392439803.db2.gz VSPWCIQHOKJTNU-PBHICJAKSA-N 1 1 280.375 3.071 20 30 CGEDMO C=CCC[C@H](CCC)[NH2+][C@H](C)c1noc(COCC)n1 ZINC000290258694 392443814 /nfs/dbraw/zinc/44/38/14/392443814.db2.gz UZGCXZMVGVLXGK-OLZOCXBDSA-N 1 1 281.400 3.392 20 30 CGEDMO CC(C)[C@H](CO)[N@@H+](CCCCC#N)Cc1ccccc1 ZINC000121106400 392408727 /nfs/dbraw/zinc/40/87/27/392408727.db2.gz MGCWJXIVXWOJFR-KRWDZBQOSA-N 1 1 274.408 3.199 20 30 CGEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2ccncc2C#N)C1 ZINC000368372992 392490109 /nfs/dbraw/zinc/49/01/09/392490109.db2.gz ACHYOOSZMRTCPG-JKSUJKDBSA-N 1 1 298.434 3.044 20 30 CGEDMO C=CC[N@@H+](CCC1CCOCC1)Cc1cccc(C#N)c1 ZINC000292663598 392508370 /nfs/dbraw/zinc/50/83/70/392508370.db2.gz PYNJDVKXINIMCF-UHFFFAOYSA-N 1 1 284.403 3.363 20 30 CGEDMO CCCCO[C@@H]1C[C@H]([N@@H+](C)CCCC#N)C1(C)C ZINC000177734820 392667369 /nfs/dbraw/zinc/66/73/69/392667369.db2.gz ULWTWZYCGKHZLN-UONOGXRCSA-N 1 1 252.402 3.206 20 30 CGEDMO CC[N@H+](Cc1ccccc1C(C)(C)C#N)C[C@H]1CCCO1 ZINC000178535271 392680450 /nfs/dbraw/zinc/68/04/50/392680450.db2.gz STGVTVDZORDHQJ-MRXNPFEDSA-N 1 1 286.419 3.489 20 30 CGEDMO C=C(C)C[C@H](C)c1nc([C@@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1 ZINC000329626548 392688913 /nfs/dbraw/zinc/68/89/13/392688913.db2.gz VNCNDTBXEZBGTL-HEHGZKQESA-N 1 1 291.395 3.065 20 30 CGEDMO C=C(C)C[C@H](C)c1nc([C@@H]2C[N@H+]3CCC[C@]3(C)CO2)no1 ZINC000329626548 392688923 /nfs/dbraw/zinc/68/89/23/392688923.db2.gz VNCNDTBXEZBGTL-HEHGZKQESA-N 1 1 291.395 3.065 20 30 CGEDMO CCOc1ccc(C[N@H+](C)Cc2ccc(C#N)o2)cc1 ZINC000505704279 392688918 /nfs/dbraw/zinc/68/89/18/392688918.db2.gz BZMIUSKGKCVTBE-UHFFFAOYSA-N 1 1 270.332 3.182 20 30 CGEDMO CCOc1ccc(C[N@@H+](C)Cc2ccc(C#N)o2)cc1 ZINC000505704279 392688926 /nfs/dbraw/zinc/68/89/26/392688926.db2.gz BZMIUSKGKCVTBE-UHFFFAOYSA-N 1 1 270.332 3.182 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000181275854 392725320 /nfs/dbraw/zinc/72/53/20/392725320.db2.gz SEFRJIZUCGPFGU-CYBMUJFWSA-N 1 1 287.325 3.117 20 30 CGEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1cccc(Cl)c1C ZINC000181263836 392726208 /nfs/dbraw/zinc/72/62/08/392726208.db2.gz XGPUTHQSWUSFOO-UHFFFAOYSA-N 1 1 266.772 3.095 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)Nc1cccc(Cl)c1C ZINC000181263836 392726214 /nfs/dbraw/zinc/72/62/14/392726214.db2.gz XGPUTHQSWUSFOO-UHFFFAOYSA-N 1 1 266.772 3.095 20 30 CGEDMO C=C(C)C[N@@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000181324325 392728683 /nfs/dbraw/zinc/72/86/83/392728683.db2.gz JGOLOKCUUIEDEL-UHFFFAOYSA-N 1 1 283.293 3.445 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1CC ZINC000181330499 392728800 /nfs/dbraw/zinc/72/88/00/392728800.db2.gz DWYBFGMNIQOBNH-CYBMUJFWSA-N 1 1 260.381 3.084 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1ccccc1CC ZINC000181330499 392728805 /nfs/dbraw/zinc/72/88/05/392728805.db2.gz DWYBFGMNIQOBNH-CYBMUJFWSA-N 1 1 260.381 3.084 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000181330790 392728979 /nfs/dbraw/zinc/72/89/79/392728979.db2.gz HKPWYFJXUJLOOX-LBPRGKRZSA-N 1 1 280.799 3.483 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000181330790 392728982 /nfs/dbraw/zinc/72/89/82/392728982.db2.gz HKPWYFJXUJLOOX-LBPRGKRZSA-N 1 1 280.799 3.483 20 30 CGEDMO Clc1ccc(C#CC[N@H+]2CCC3(C2)CCOCC3)cc1 ZINC000334493075 392731163 /nfs/dbraw/zinc/73/11/63/392731163.db2.gz BINXJCPGNIFSSN-UHFFFAOYSA-N 1 1 289.806 3.194 20 30 CGEDMO C#CCOc1ccc(C[N@H+](C)[C@@H](C)c2ccccn2)cc1 ZINC000182065439 392741345 /nfs/dbraw/zinc/74/13/45/392741345.db2.gz JVWGKLYZZQJYLP-HNNXBMFYSA-N 1 1 280.371 3.287 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)c1 ZINC000181096632 392718993 /nfs/dbraw/zinc/71/89/93/392718993.db2.gz VQPYYBRJLAAIEG-WMZOPIPTSA-N 1 1 289.419 3.234 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+](C)C(C1CC1)C1CC1 ZINC000186191709 392778854 /nfs/dbraw/zinc/77/88/54/392778854.db2.gz WQJRPYCRYVKAFE-UHFFFAOYSA-N 1 1 254.377 3.487 20 30 CGEDMO Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@H](C)C#N ZINC000191114616 392821506 /nfs/dbraw/zinc/82/15/06/392821506.db2.gz VUAJAEMHOCBNNU-SECBINFHSA-N 1 1 256.271 3.263 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000336038985 392829269 /nfs/dbraw/zinc/82/92/69/392829269.db2.gz QHLXIKBJHTWFCI-QGZVFWFLSA-N 1 1 270.376 3.058 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)CCCO[C@H]1CCCCO1 ZINC000338310730 392908644 /nfs/dbraw/zinc/90/86/44/392908644.db2.gz BHJWEKCRPZBJCC-HNNXBMFYSA-N 1 1 282.428 3.181 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000338352078 392910584 /nfs/dbraw/zinc/91/05/84/392910584.db2.gz FHFIOZYXJXWTEA-UONOGXRCSA-N 1 1 292.427 3.060 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2cncnc2OC)CCCC1(C)C ZINC000648029109 392876023 /nfs/dbraw/zinc/87/60/23/392876023.db2.gz WXTWJNRHWLPTRM-AWEZNQCLSA-N 1 1 275.396 3.052 20 30 CGEDMO CC1(C)C[N@@H+](CCOCCC#N)C[C@@H]1c1ccccc1 ZINC000339043854 392944071 /nfs/dbraw/zinc/94/40/71/392944071.db2.gz YEOMURIWPWFCRJ-MRXNPFEDSA-N 1 1 272.392 3.042 20 30 CGEDMO C=CCOCC[N@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000339011052 392941840 /nfs/dbraw/zinc/94/18/40/392941840.db2.gz PMRCBMGJYHZGSP-CQSZACIVSA-N 1 1 251.757 3.289 20 30 CGEDMO C=CCOCC[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1 ZINC000339011052 392941845 /nfs/dbraw/zinc/94/18/45/392941845.db2.gz PMRCBMGJYHZGSP-CQSZACIVSA-N 1 1 251.757 3.289 20 30 CGEDMO CCOC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000404057805 392962116 /nfs/dbraw/zinc/96/21/16/392962116.db2.gz HCFVGCWWZWWHHN-OAHLLOKOSA-N 1 1 276.355 3.088 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]Cc1cc(C)ns1 ZINC000404302784 392964459 /nfs/dbraw/zinc/96/44/59/392964459.db2.gz DNPBEPKVTJEOEY-UHFFFAOYSA-N 1 1 274.389 3.306 20 30 CGEDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411616910 392981473 /nfs/dbraw/zinc/98/14/73/392981473.db2.gz NHEHZNZLMZLFMA-PMPSAXMXSA-N 1 1 278.440 3.332 20 30 CGEDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411616904 392982510 /nfs/dbraw/zinc/98/25/10/392982510.db2.gz NHEHZNZLMZLFMA-BZUAXINKSA-N 1 1 278.440 3.332 20 30 CGEDMO COC(=O)[C@H](C)[N@H+](CCC1(C#N)CCCCC1)C1CCC1 ZINC000411615509 392982522 /nfs/dbraw/zinc/98/25/22/392982522.db2.gz BXCMLLFVYLAUDO-AWEZNQCLSA-N 1 1 292.423 3.267 20 30 CGEDMO COC(=O)[C@H](C)[N@@H+](CCC1(C#N)CCCCC1)C1CCC1 ZINC000411615509 392982529 /nfs/dbraw/zinc/98/25/29/392982529.db2.gz BXCMLLFVYLAUDO-AWEZNQCLSA-N 1 1 292.423 3.267 20 30 CGEDMO CO[C@@H]1CC[N@@H+](CCC2(C#N)CCCCC2)[C@H](C)C1 ZINC000411691734 392984315 /nfs/dbraw/zinc/98/43/15/392984315.db2.gz IDQMPZFQGIRXQX-HUUCEWRRSA-N 1 1 264.413 3.350 20 30 CGEDMO N#CC1(CC[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)CCCCC1 ZINC000411803342 392989046 /nfs/dbraw/zinc/98/90/46/392989046.db2.gz OHMOEIAXDAGPJL-BRWVUGGUSA-N 1 1 290.451 3.476 20 30 CGEDMO C[C@H]1CC(C)(C)C[N@H+]1CCCC1(C#N)CCOCC1 ZINC000412050114 392994642 /nfs/dbraw/zinc/99/46/42/392994642.db2.gz XITDUHCMZUWRGE-AWEZNQCLSA-N 1 1 264.413 3.207 20 30 CGEDMO C[C@H]1[C@H](CO)CCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000412076074 392995150 /nfs/dbraw/zinc/99/51/50/392995150.db2.gz JJRXFNBFIOYFRQ-HOCLYGCPSA-N 1 1 286.419 3.081 20 30 CGEDMO N#CC1(C[N@H+]2CCC[C@H]2CCc2ccccc2)CC1 ZINC000343144138 393019837 /nfs/dbraw/zinc/01/98/37/393019837.db2.gz RXHMYKYYSJNUDF-INIZCTEOSA-N 1 1 254.377 3.387 20 30 CGEDMO C=CCOc1ccc(C[NH2+][C@@H](CCO)c2ccco2)cc1 ZINC000346212452 393080272 /nfs/dbraw/zinc/08/02/72/393080272.db2.gz HZDRGCOLJPYNGZ-INIZCTEOSA-N 1 1 287.359 3.058 20 30 CGEDMO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]CC1(C#N)CC1 ZINC000351201578 393166702 /nfs/dbraw/zinc/16/67/02/393166702.db2.gz KPTSYOWAUZKHDN-FZMZJTMJSA-N 1 1 278.783 3.309 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000348880449 393134687 /nfs/dbraw/zinc/13/46/87/393134687.db2.gz VGPGNKUKWKDRTO-ZDUSSCGKSA-N 1 1 297.345 3.313 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@@H](COC(F)F)C2)c1 ZINC000348867190 393134876 /nfs/dbraw/zinc/13/48/76/393134876.db2.gz HXDQPFINOBJOJE-CQSZACIVSA-N 1 1 297.345 3.313 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)C[C@H](O)CC1CCCC1 ZINC000355295011 393296283 /nfs/dbraw/zinc/29/62/83/393296283.db2.gz QSNJVCLHVOISKP-MRXNPFEDSA-N 1 1 277.408 3.251 20 30 CGEDMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)Cc1nc(C#N)cs1 ZINC000356132739 393360606 /nfs/dbraw/zinc/36/06/06/393360606.db2.gz WDJPBVAHKVMNMB-STQMWFEESA-N 1 1 293.436 3.040 20 30 CGEDMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356132739 393360608 /nfs/dbraw/zinc/36/06/08/393360608.db2.gz WDJPBVAHKVMNMB-STQMWFEESA-N 1 1 293.436 3.040 20 30 CGEDMO C[C@H]1C[C@@H](Nc2cc(C#N)ccc2C(F)(F)F)CC[N@H+]1C ZINC000475516755 393406463 /nfs/dbraw/zinc/40/64/63/393406463.db2.gz OBENEVYQCOKBSO-JQWIXIFHSA-N 1 1 297.324 3.472 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC000649224957 393376428 /nfs/dbraw/zinc/37/64/28/393376428.db2.gz FAOYFDQUBAWTQS-ZDUSSCGKSA-N 1 1 274.191 3.362 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+](C)Cc1ccc(Cl)cc1Cl ZINC000649224957 393376431 /nfs/dbraw/zinc/37/64/31/393376431.db2.gz FAOYFDQUBAWTQS-ZDUSSCGKSA-N 1 1 274.191 3.362 20 30 CGEDMO CC[N@@H+](CCc1nccs1)Cc1ccc(C#N)c(C)c1 ZINC000488098753 393457964 /nfs/dbraw/zinc/45/79/64/393457964.db2.gz JFACEXBICZNRMS-UHFFFAOYSA-N 1 1 285.416 3.388 20 30 CGEDMO C[C@H]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000429575669 393486544 /nfs/dbraw/zinc/48/65/44/393486544.db2.gz AECDFECQTNPGKI-XJKSGUPXSA-N 1 1 285.391 3.007 20 30 CGEDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C#N)c(C)c2)C[C@@H]1C ZINC000488458002 393522855 /nfs/dbraw/zinc/52/28/55/393522855.db2.gz JOKKXVJORGOBQR-MAUKXSAKSA-N 1 1 285.435 3.171 20 30 CGEDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(C#N)c(C)c2)C[C@@H]1C ZINC000488458002 393522871 /nfs/dbraw/zinc/52/28/71/393522871.db2.gz JOKKXVJORGOBQR-MAUKXSAKSA-N 1 1 285.435 3.171 20 30 CGEDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)c(C)c2)C[C@@H]1C ZINC000488458002 393522875 /nfs/dbraw/zinc/52/28/75/393522875.db2.gz JOKKXVJORGOBQR-MAUKXSAKSA-N 1 1 285.435 3.171 20 30 CGEDMO C[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000430179142 393533283 /nfs/dbraw/zinc/53/32/83/393533283.db2.gz NQIOXTWCYAUKRN-PVAVHDDUSA-N 1 1 299.418 3.233 20 30 CGEDMO CC1(C[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)CCC1 ZINC000432776521 393637207 /nfs/dbraw/zinc/63/72/07/393637207.db2.gz OTDMPGRWYZEROO-MRXNPFEDSA-N 1 1 270.376 3.122 20 30 CGEDMO CC1(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)CCC1 ZINC000432776521 393637208 /nfs/dbraw/zinc/63/72/08/393637208.db2.gz OTDMPGRWYZEROO-MRXNPFEDSA-N 1 1 270.376 3.122 20 30 CGEDMO COc1ccc(C[N@H+]2CC3(CCC3)C[C@@H]2C)cc1C#N ZINC000433024683 393670603 /nfs/dbraw/zinc/67/06/03/393670603.db2.gz DPKAOQLLTITJGL-ZDUSSCGKSA-N 1 1 270.376 3.331 20 30 CGEDMO COc1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)ccc1C#N ZINC000443072876 393742692 /nfs/dbraw/zinc/74/26/92/393742692.db2.gz RZYIZMJOSVWPCG-GWCFXTLKSA-N 1 1 298.308 3.340 20 30 CGEDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@H](C)C1 ZINC000443638591 393768373 /nfs/dbraw/zinc/76/83/73/393768373.db2.gz DWMBBQVDWCRSPW-LSDHHAIUSA-N 1 1 299.418 3.255 20 30 CGEDMO COc1cc(C[N@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)ccc1C#N ZINC000449534965 393887823 /nfs/dbraw/zinc/88/78/23/393887823.db2.gz HBHJVCPEZFKURJ-AEFFLSMTSA-N 1 1 282.387 3.187 20 30 CGEDMO C=CCCc1ccccc1NC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000669727322 543122679 /nfs/dbraw/zinc/12/26/79/543122679.db2.gz AGQFMOZCQFSTTR-HNNXBMFYSA-N 1 1 287.407 3.021 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CCC[C@](C)(c2ccccc2)CC1 ZINC000671704032 543178842 /nfs/dbraw/zinc/17/88/42/543178842.db2.gz JBVFIOKZKWBDBO-MSOLQXFVSA-N 1 1 273.420 3.367 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000117871267 397655627 /nfs/dbraw/zinc/65/56/27/397655627.db2.gz FEEZZICWZLRBAH-AWEZNQCLSA-N 1 1 270.380 3.226 20 30 CGEDMO C[N@H+](CC#Cc1ccc(Cl)cc1)CCOC(C)(C)C ZINC000676041541 543379050 /nfs/dbraw/zinc/37/90/50/543379050.db2.gz KXVSFQDHRYBYLD-UHFFFAOYSA-N 1 1 279.811 3.438 20 30 CGEDMO COCC#CC[N@@H+](Cc1ccoc1)C1CCCCC1 ZINC000677133137 543435834 /nfs/dbraw/zinc/43/58/34/543435834.db2.gz JIWQJZHYHYGMNX-UHFFFAOYSA-N 1 1 261.365 3.064 20 30 CGEDMO FC(F)[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000677729705 543461319 /nfs/dbraw/zinc/46/13/19/543461319.db2.gz BMWVAGLJHLFOKR-LBPRGKRZSA-N 1 1 269.722 3.279 20 30 CGEDMO C=C(C)[C@@H](CO)[N@@H+](CC)Cc1ccccc1Cl ZINC000677950861 543474307 /nfs/dbraw/zinc/47/43/07/543474307.db2.gz AHANAMTYVOXZRX-CQSZACIVSA-N 1 1 253.773 3.099 20 30 CGEDMO C[N@H+](CCOc1ccccc1)Cc1ccccc1C#N ZINC000078822442 165140581 /nfs/dbraw/zinc/14/05/81/165140581.db2.gz UQRIDSJGLKQYOQ-UHFFFAOYSA-N 1 1 266.344 3.069 20 30 CGEDMO C[N@@H+](CCOc1ccccc1)Cc1ccccc1C#N ZINC000078822442 165140585 /nfs/dbraw/zinc/14/05/85/165140585.db2.gz UQRIDSJGLKQYOQ-UHFFFAOYSA-N 1 1 266.344 3.069 20 30 CGEDMO C[C@H]1C[N@H+](Cc2ccc(C#N)o2)[C@@H]1c1ccccc1 ZINC000093867467 165338207 /nfs/dbraw/zinc/33/82/07/165338207.db2.gz FKOLGHPQZWLQMM-LRDDRELGSA-N 1 1 252.317 3.344 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)o2)[C@@H]1c1ccccc1 ZINC000093867467 165338210 /nfs/dbraw/zinc/33/82/10/165338210.db2.gz FKOLGHPQZWLQMM-LRDDRELGSA-N 1 1 252.317 3.344 20 30 CGEDMO Cc1cccc(OCC[N@H+](C)Cc2ccc(C#N)s2)c1 ZINC000121548443 287199761 /nfs/dbraw/zinc/19/97/61/287199761.db2.gz FCVIJKQOYVTQEP-UHFFFAOYSA-N 1 1 286.400 3.439 20 30 CGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+](C)Cc1cccs1 ZINC000007420951 170283995 /nfs/dbraw/zinc/28/39/95/170283995.db2.gz PCNSJZVYRAUMLX-LBPRGKRZSA-N 1 1 299.399 3.079 20 30 CGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)Cc1cccs1 ZINC000007420951 170283996 /nfs/dbraw/zinc/28/39/96/170283996.db2.gz PCNSJZVYRAUMLX-LBPRGKRZSA-N 1 1 299.399 3.079 20 30 CGEDMO C[C@@H](N[C@@H](C)C[NH+]1CCCCC1)c1cccc(C#N)c1 ZINC000037319718 173119818 /nfs/dbraw/zinc/11/98/18/173119818.db2.gz OGXSIMOSWMBLFX-LSDHHAIUSA-N 1 1 271.408 3.083 20 30 CGEDMO C=C(C)C[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C)CC ZINC000078709244 177374285 /nfs/dbraw/zinc/37/42/85/177374285.db2.gz KSPACYZFRTXUSK-ZDUSSCGKSA-N 1 1 285.391 3.100 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000679540441 543644007 /nfs/dbraw/zinc/64/40/07/543644007.db2.gz MCVMYAXMGDZDGW-HOTGVXAUSA-N 1 1 257.377 3.189 20 30 CGEDMO CC#CCC[N@@H+](C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC000680883394 543741489 /nfs/dbraw/zinc/74/14/89/543741489.db2.gz QHJCHGYGVRQHSK-MSOLQXFVSA-N 1 1 271.404 3.500 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CC[C@H](C)C2(CCCCC2)C1 ZINC000680901557 543745374 /nfs/dbraw/zinc/74/53/74/543745374.db2.gz HZWIKXORNFEXEX-GJZGRUSLSA-N 1 1 251.414 3.216 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CCc2c(cccc2C(C)C)C1 ZINC000682778986 543868077 /nfs/dbraw/zinc/86/80/77/543868077.db2.gz ANBAHXQPLSRNFN-QGZVFWFLSA-N 1 1 259.393 3.105 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CC[C@H](c2ccc(C)cc2C)C1 ZINC000684211724 543973240 /nfs/dbraw/zinc/97/32/40/543973240.db2.gz UMNABGLQJCPMEI-RDJZCZTQSA-N 1 1 259.393 3.030 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000683783062 543942369 /nfs/dbraw/zinc/94/23/69/543942369.db2.gz OPEJQSOTRJVSBA-NEPJUHHUSA-N 1 1 265.319 3.384 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000683783062 543942371 /nfs/dbraw/zinc/94/23/71/543942371.db2.gz OPEJQSOTRJVSBA-NEPJUHHUSA-N 1 1 265.319 3.384 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+]1C[C@@H](c2ccc(C)cc2)C[C@@H]1C ZINC000683800300 543943227 /nfs/dbraw/zinc/94/32/27/543943227.db2.gz KMPVUOCTZQNISC-XIRDDKMYSA-N 1 1 259.393 3.110 20 30 CGEDMO N#CCCCC[NH+]1CCN(c2ccnc3ccccc32)CC1 ZINC000347709675 226228974 /nfs/dbraw/zinc/22/89/74/226228974.db2.gz RMVSAOXLXYJMDW-UHFFFAOYSA-N 1 1 294.402 3.051 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1ccc(OC)cc1Br ZINC000685426470 544067905 /nfs/dbraw/zinc/06/79/05/544067905.db2.gz GWMXVXBWDQCORA-UHFFFAOYSA-N 1 1 284.197 3.466 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(OC)cc1Br ZINC000685426470 544067908 /nfs/dbraw/zinc/06/79/08/544067908.db2.gz GWMXVXBWDQCORA-UHFFFAOYSA-N 1 1 284.197 3.466 20 30 CGEDMO N#Cc1ccc(CNc2[nH]c3ccccc3[nH+]2)cc1Cl ZINC000619747381 418934047 /nfs/dbraw/zinc/93/40/47/418934047.db2.gz XZZHVLMBISNHDE-UHFFFAOYSA-N 1 1 282.734 3.122 20 30 CGEDMO C=CCCn1cc(C[N@H+]2CCC[C@@H]2C2CCCCC2)nn1 ZINC000653498934 419037732 /nfs/dbraw/zinc/03/77/32/419037732.db2.gz SVVNTEMKRQOFKJ-QGZVFWFLSA-N 1 1 288.439 3.399 20 30 CGEDMO C=CCCn1cc(C[N@@H+](CC=C)CCc2ccccc2)nn1 ZINC000653510214 419041602 /nfs/dbraw/zinc/04/16/02/419041602.db2.gz RFDFVOLRXVAELX-UHFFFAOYSA-N 1 1 296.418 3.085 20 30 CGEDMO C=CCCn1cc(C[N@H+](CC=C)CCc2ccccc2)nn1 ZINC000653510214 419041606 /nfs/dbraw/zinc/04/16/06/419041606.db2.gz RFDFVOLRXVAELX-UHFFFAOYSA-N 1 1 296.418 3.085 20 30 CGEDMO C=CCCn1cc(C[N@H+]2CCCC[C@H]2C2CCC2)nn1 ZINC000653777258 419083117 /nfs/dbraw/zinc/08/31/17/419083117.db2.gz YYNBIQVNVSAHOV-INIZCTEOSA-N 1 1 274.412 3.009 20 30 CGEDMO C=CC[N@@H+](CC[C@@H]1Sc2ccccc2NC1=O)C1CC1 ZINC000660169415 419093043 /nfs/dbraw/zinc/09/30/43/419093043.db2.gz HVVPALRSJOCQLW-HNNXBMFYSA-N 1 1 288.416 3.140 20 30 CGEDMO C=CCCn1cc(C[N@H+]2CCC[C@H]2CC2CCCC2)nn1 ZINC000653892295 419104000 /nfs/dbraw/zinc/10/40/00/419104000.db2.gz FVFNQRDYFHQQPT-KRWDZBQOSA-N 1 1 288.439 3.399 20 30 CGEDMO C=CCOc1ccccc1C[NH2+][C@@H]1CCCn2ccnc21 ZINC000655710459 419073546 /nfs/dbraw/zinc/07/35/46/419073546.db2.gz BKNCOYFYICECML-OAHLLOKOSA-N 1 1 283.375 3.073 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000665183474 419073738 /nfs/dbraw/zinc/07/37/38/419073738.db2.gz IVEAQLWBOBWBAK-SJORKVTESA-N 1 1 271.404 3.193 20 30 CGEDMO C=CC[N@H+](CC/C=C/c1cncc(OC)c1)[C@H](C)COC ZINC000661240753 419243059 /nfs/dbraw/zinc/24/30/59/419243059.db2.gz TWCABHLOYKKSHE-PMGBHYCQSA-N 1 1 290.407 3.016 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CCCCn2ccnc2C)C1 ZINC000661380441 419255363 /nfs/dbraw/zinc/25/53/63/419255363.db2.gz HCXZUBQTUTYXOT-MRXNPFEDSA-N 1 1 261.413 3.260 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@@H](C)c2nc(C3CC3)no2)C1 ZINC000661378974 419255656 /nfs/dbraw/zinc/25/56/56/419255656.db2.gz PUVGBQDGLGGVMD-RYUDHWBXSA-N 1 1 261.369 3.296 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2cnnn2-c2ccccc2)C1 ZINC000661385911 419256616 /nfs/dbraw/zinc/25/66/16/419256616.db2.gz QSOYWGPAFSSPOB-OAHLLOKOSA-N 1 1 282.391 3.055 20 30 CGEDMO C[C@H](CO)[C@H]1CCCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000661432478 419259275 /nfs/dbraw/zinc/25/92/75/419259275.db2.gz BMYPLVYIXOZXRU-RHSMWYFYSA-N 1 1 291.822 3.174 20 30 CGEDMO CC[N@H+]1CCCN(CC#Cc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000660792409 419197082 /nfs/dbraw/zinc/19/70/82/419197082.db2.gz YIOFACRTCAVRHS-HNNXBMFYSA-N 1 1 290.838 3.108 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@H]1c1ccc(OC)c(F)c1 ZINC000661658517 419283541 /nfs/dbraw/zinc/28/35/41/419283541.db2.gz DJMAQWUYNLVWID-HNNXBMFYSA-N 1 1 279.355 3.174 20 30 CGEDMO C=CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C(C)(C)C ZINC000661756293 419294978 /nfs/dbraw/zinc/29/49/78/419294978.db2.gz JDYLXWJJKBEUHM-UHFFFAOYSA-N 1 1 271.364 3.122 20 30 CGEDMO C=CC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C(C)(C)C ZINC000661756293 419294980 /nfs/dbraw/zinc/29/49/80/419294980.db2.gz JDYLXWJJKBEUHM-UHFFFAOYSA-N 1 1 271.364 3.122 20 30 CGEDMO C=CC[N@H+](CC(=O)N[C@H](C)c1cccs1)C(C)(C)C ZINC000661754783 419295437 /nfs/dbraw/zinc/29/54/37/419295437.db2.gz AQODJFPPXMQKLC-GFCCVEGCSA-N 1 1 280.437 3.212 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC000662083052 419333329 /nfs/dbraw/zinc/33/33/29/419333329.db2.gz ZLFPMSHIVXAFMA-BHYGNILZSA-N 1 1 290.451 3.349 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)N(C)C1CCCCC1 ZINC000662083057 419333700 /nfs/dbraw/zinc/33/37/00/419333700.db2.gz ZLFPMSHIVXAFMA-OIISXLGYSA-N 1 1 290.451 3.349 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)NCC1CCCCC1 ZINC000662081733 419333716 /nfs/dbraw/zinc/33/37/16/419333716.db2.gz RNYDPJDLUKUCMP-OIISXLGYSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1COc2ccccc2O1 ZINC000662082986 419333904 /nfs/dbraw/zinc/33/39/04/419333904.db2.gz ZBCSJBDZHNOUIL-QLFBSQMISA-N 1 1 271.360 3.009 20 30 CGEDMO C=CCCC[C@@H](C)[N@@H+]1CCn2c(nnc2C(C)(C)C)C1 ZINC000662242758 419369873 /nfs/dbraw/zinc/36/98/73/419369873.db2.gz IRWFBCNSHOIWPZ-CYBMUJFWSA-N 1 1 276.428 3.136 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCn2c(nnc2C(C)(C)C)C1 ZINC000662242758 419369881 /nfs/dbraw/zinc/36/98/81/419369881.db2.gz IRWFBCNSHOIWPZ-CYBMUJFWSA-N 1 1 276.428 3.136 20 30 CGEDMO N#CCCCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000370678488 260002409 /nfs/dbraw/zinc/00/24/09/260002409.db2.gz WZEBMISRSPLGNK-OALUTQOASA-N 1 1 297.446 3.134 20 30 CGEDMO N#CCCCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000370678488 260002410 /nfs/dbraw/zinc/00/24/10/260002410.db2.gz WZEBMISRSPLGNK-OALUTQOASA-N 1 1 297.446 3.134 20 30 CGEDMO N#CCCCC[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000370678488 260002412 /nfs/dbraw/zinc/00/24/12/260002412.db2.gz WZEBMISRSPLGNK-OALUTQOASA-N 1 1 297.446 3.134 20 30 CGEDMO N#CCCCC[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000370678488 260002413 /nfs/dbraw/zinc/00/24/13/260002413.db2.gz WZEBMISRSPLGNK-OALUTQOASA-N 1 1 297.446 3.134 20 30 CGEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1CCC[N@@H+]1C ZINC000299532651 260188626 /nfs/dbraw/zinc/18/86/26/260188626.db2.gz SOOIQEZPIDYGEO-GFCCVEGCSA-N 1 1 298.839 3.010 20 30 CGEDMO CC(C)CC[N@H+]1Cc2cccc(N[C@H](C)C#N)c2C1 ZINC000076393647 260293444 /nfs/dbraw/zinc/29/34/44/260293444.db2.gz QGSAFZRDWIRWDV-CYBMUJFWSA-N 1 1 257.381 3.372 20 30 CGEDMO Cc1ccccc1OCCC[N@H+](C)CCCSCC#N ZINC000080632733 260317482 /nfs/dbraw/zinc/31/74/82/260317482.db2.gz VTOQFKAPYAPNGU-UHFFFAOYSA-N 1 1 292.448 3.343 20 30 CGEDMO C[C@@H](C#N)C[N@H+](C[C@@H]1CCC2(CCCCC2)O1)C1CC1 ZINC000409446399 260406242 /nfs/dbraw/zinc/40/62/42/260406242.db2.gz YSQOFDQRTKDGHC-HOCLYGCPSA-N 1 1 276.424 3.492 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C[C@@H]1CCC2(CCCCC2)O1)C1CC1 ZINC000409446399 260406244 /nfs/dbraw/zinc/40/62/44/260406244.db2.gz YSQOFDQRTKDGHC-HOCLYGCPSA-N 1 1 276.424 3.492 20 30 CGEDMO CC[N@@H+](CCc1nccs1)CC(C)(C)CCC#N ZINC000093764748 260524663 /nfs/dbraw/zinc/52/46/63/260524663.db2.gz LHBUTAXHKJVKBH-UHFFFAOYSA-N 1 1 265.426 3.337 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1c(F)cccc1N1CCCC1 ZINC000181043349 260560442 /nfs/dbraw/zinc/56/04/42/260560442.db2.gz PKIIIQMSGHMUGT-UHFFFAOYSA-N 1 1 262.372 3.434 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1c(F)cccc1N1CCCC1 ZINC000181043349 260560444 /nfs/dbraw/zinc/56/04/44/260560444.db2.gz PKIIIQMSGHMUGT-UHFFFAOYSA-N 1 1 262.372 3.434 20 30 CGEDMO CCCC(N)=[NH+]OCc1coc(-c2c(F)cccc2F)n1 ZINC000154328789 261090222 /nfs/dbraw/zinc/09/02/22/261090222.db2.gz PHNBQQIJFXHRPT-UHFFFAOYSA-N 1 1 295.289 3.209 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCCC[C@@H]2C[C@H](C)O)cc1 ZINC000448355854 261126236 /nfs/dbraw/zinc/12/62/36/261126236.db2.gz QBWBUBSNSRBSAY-DOTOQJQBSA-N 1 1 289.419 3.377 20 30 CGEDMO CCCCC(N)=[NH+]OCC(=O)Nc1c(C)cccc1Cl ZINC000157121028 261140503 /nfs/dbraw/zinc/14/05/03/261140503.db2.gz JZSAGNBNACHIGS-UHFFFAOYSA-N 1 1 297.786 3.066 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000249509743 261251574 /nfs/dbraw/zinc/25/15/74/261251574.db2.gz NGNITJBJWDXNFO-RBSFLKMASA-N 1 1 266.429 3.062 20 30 CGEDMO C[C@H](CC#N)[N@@H+](C)CCCCCOc1ccccc1 ZINC000187180864 262127616 /nfs/dbraw/zinc/12/76/16/262127616.db2.gz NARKTMLHLJJWBW-OAHLLOKOSA-N 1 1 260.381 3.470 20 30 CGEDMO CN(C)Cc1cc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)ccc1F ZINC000192868332 262212336 /nfs/dbraw/zinc/21/23/36/262212336.db2.gz VNZAFXOUZSLGEA-XJKSGUPXSA-N 1 1 289.398 3.059 20 30 CGEDMO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccnn1C ZINC000193039215 262214662 /nfs/dbraw/zinc/21/46/62/262214662.db2.gz FBNRBRCBXKAQDH-UKRRQHHQSA-N 1 1 268.364 3.116 20 30 CGEDMO C[C@@H](O[NH+]=C(N)C1CCCC1)c1ccc(C#N)cc1 ZINC000194627227 262240364 /nfs/dbraw/zinc/24/03/64/262240364.db2.gz XKZYOUUOVCMRBR-LLVKDONJSA-N 1 1 257.337 3.098 20 30 CGEDMO Cc1ccc(C[N@@H+](C)Cc2ccccc2C#N)cc1 ZINC000020264510 262244598 /nfs/dbraw/zinc/24/45/98/262244598.db2.gz MQSMSIPROFGOJT-UHFFFAOYSA-N 1 1 250.345 3.499 20 30 CGEDMO Cc1ccc(C[N@H+](C)Cc2ccccc2C#N)cc1 ZINC000020264510 262244600 /nfs/dbraw/zinc/24/46/00/262244600.db2.gz MQSMSIPROFGOJT-UHFFFAOYSA-N 1 1 250.345 3.499 20 30 CGEDMO C=CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)cc2F)CC1 ZINC000111256551 262258218 /nfs/dbraw/zinc/25/82/18/262258218.db2.gz CRCRMAVIFBAVBS-ZDUSSCGKSA-N 1 1 290.382 3.359 20 30 CGEDMO COc1ccc(C[N@H+](C[C@@H](C)C#N)C2CC2)cc1C ZINC000354032441 262283760 /nfs/dbraw/zinc/28/37/60/262283760.db2.gz ADCBJLWPMJLTTD-LBPRGKRZSA-N 1 1 258.365 3.128 20 30 CGEDMO COc1ccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)cc1C ZINC000354032441 262283761 /nfs/dbraw/zinc/28/37/61/262283761.db2.gz ADCBJLWPMJLTTD-LBPRGKRZSA-N 1 1 258.365 3.128 20 30 CGEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2c2ccc(C)cc2)C1=O ZINC000337185078 262435241 /nfs/dbraw/zinc/43/52/41/262435241.db2.gz OBFMPIHLZPWAIK-ZWKOTPCHSA-N 1 1 298.430 3.309 20 30 CGEDMO C[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccncc1F ZINC000338340997 262524143 /nfs/dbraw/zinc/52/41/43/262524143.db2.gz CUIOVFABUNEXDF-GFCCVEGCSA-N 1 1 272.298 3.062 20 30 CGEDMO CCC[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)CCO1 ZINC000411420008 262693274 /nfs/dbraw/zinc/69/32/74/262693274.db2.gz PZFUJZDXWBOHBX-HNNXBMFYSA-N 1 1 264.413 3.351 20 30 CGEDMO C[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)[C@H](C)[C@@H](C)O1 ZINC000411609974 262700145 /nfs/dbraw/zinc/70/01/45/262700145.db2.gz MHCMLKRUIZLTDJ-RBSFLKMASA-N 1 1 264.413 3.348 20 30 CGEDMO COCC[C@@H]([NH2+]CCC#N)c1cccc(C(F)(F)F)c1 ZINC000411788143 262706893 /nfs/dbraw/zinc/70/68/93/262706893.db2.gz LTEMQSYHPYNNOQ-CYBMUJFWSA-N 1 1 286.297 3.286 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000272058808 263001674 /nfs/dbraw/zinc/00/16/74/263001674.db2.gz WFEWBCWPYRWYGQ-KGLIPLIRSA-N 1 1 276.380 3.107 20 30 CGEDMO Cc1cccc([C@@H]2CC[N@@H+](C[C@H](C#N)CCC#N)C2)c1 ZINC000273058593 263011707 /nfs/dbraw/zinc/01/17/07/263011707.db2.gz HHSNZBOFWQWITL-DOTOQJQBSA-N 1 1 267.376 3.228 20 30 CGEDMO CC1=C(Br)C[N@@H+](CCCSCC#N)CC1 ZINC000280862554 263064834 /nfs/dbraw/zinc/06/48/34/263064834.db2.gz IQHKAGPHQBBFPR-UHFFFAOYSA-N 1 1 289.242 3.008 20 30 CGEDMO Cc1ccc(C[N@@H+](C)CCCC2(C#N)CCOCC2)o1 ZINC000282124258 263074451 /nfs/dbraw/zinc/07/44/51/263074451.db2.gz YBDBCTKZARFMNM-UHFFFAOYSA-N 1 1 276.380 3.120 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289709623 263111515 /nfs/dbraw/zinc/11/15/15/263111515.db2.gz CGHXACFGHNCGJJ-ZDUSSCGKSA-N 1 1 280.803 3.113 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)CC(C)(C)CCC#N ZINC000289987173 263113640 /nfs/dbraw/zinc/11/36/40/263113640.db2.gz ZYNDNKBMZOYUDA-UHFFFAOYSA-N 1 1 254.377 3.452 20 30 CGEDMO C[N@@H+]1CC[C@@H](NCC2(CC#N)CC2)C[C@H]1c1ccccc1 ZINC000340375517 263121069 /nfs/dbraw/zinc/12/10/69/263121069.db2.gz JNCSEUKNNPCGRZ-SJORKVTESA-N 1 1 283.419 3.105 20 30 CGEDMO C[N@H+]1CC[C@@H](NCC2(CC#N)CC2)C[C@H]1c1ccccc1 ZINC000340375517 263121070 /nfs/dbraw/zinc/12/10/70/263121070.db2.gz JNCSEUKNNPCGRZ-SJORKVTESA-N 1 1 283.419 3.105 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](Oc3ccccc3Cl)C2)C1 ZINC000292716114 263134229 /nfs/dbraw/zinc/13/42/29/263134229.db2.gz AEUPCRYIQGHACV-MCIONIFRSA-N 1 1 290.794 3.485 20 30 CGEDMO N#CCCCC[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000292973044 263136696 /nfs/dbraw/zinc/13/66/96/263136696.db2.gz GRLAYDFLXVDAJW-OAHLLOKOSA-N 1 1 278.783 3.407 20 30 CGEDMO N#CCCCC[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000292973044 263136697 /nfs/dbraw/zinc/13/66/97/263136697.db2.gz GRLAYDFLXVDAJW-OAHLLOKOSA-N 1 1 278.783 3.407 20 30 CGEDMO CC(C)c1cccc2c1CC[N@@H+](CCOCCC#N)C2 ZINC000294768379 263167316 /nfs/dbraw/zinc/16/73/16/263167316.db2.gz YYNQWETWDQWGOJ-UHFFFAOYSA-N 1 1 272.392 3.098 20 30 CGEDMO C[C@@H](CCC#N)[N@@H+](C)Cc1ccc(Br)o1 ZINC000297753809 263209149 /nfs/dbraw/zinc/20/91/49/263209149.db2.gz DZGHDDNQCMEURW-VIFPVBQESA-N 1 1 271.158 3.166 20 30 CGEDMO N#CCCCC[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000299502421 263244166 /nfs/dbraw/zinc/24/41/66/263244166.db2.gz GRLAYDFLXVDAJW-HNNXBMFYSA-N 1 1 278.783 3.407 20 30 CGEDMO N#CCCCC[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000299502421 263244167 /nfs/dbraw/zinc/24/41/67/263244167.db2.gz GRLAYDFLXVDAJW-HNNXBMFYSA-N 1 1 278.783 3.407 20 30 CGEDMO COCC1(C#N)CC[NH+](Cc2sccc2Cl)CC1 ZINC000341974164 263373057 /nfs/dbraw/zinc/37/30/57/263373057.db2.gz HJXXDNWOWZXXMD-UHFFFAOYSA-N 1 1 284.812 3.154 20 30 CGEDMO C=C1CC[NH+]([C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000342000876 263375065 /nfs/dbraw/zinc/37/50/65/263375065.db2.gz ZQYOSHDKORQERC-LSDHHAIUSA-N 1 1 284.403 3.005 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000343267398 264279754 /nfs/dbraw/zinc/27/97/54/264279754.db2.gz JFFWVFMOWBQJTP-GDBMZVCRSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H](OC)C1CC1 ZINC000425457248 264330739 /nfs/dbraw/zinc/33/07/39/264330739.db2.gz JYVSDZQNAKSQHI-KRWDZBQOSA-N 1 1 291.439 3.267 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000076734455 264344020 /nfs/dbraw/zinc/34/40/20/264344020.db2.gz VFGYNIURQUATFP-UHFFFAOYSA-N 1 1 291.782 3.048 20 30 CGEDMO C=C(C)C[NH+]1CCC([NH2+]Cc2cc(F)ccc2C)CC1 ZINC000180176584 264392598 /nfs/dbraw/zinc/39/25/98/264392598.db2.gz AIKHITOZZLKLJB-UHFFFAOYSA-N 1 1 276.399 3.264 20 30 CGEDMO C=C(C)C[NH+]1CCC(NCc2cc(F)ccc2C)CC1 ZINC000180176584 264392601 /nfs/dbraw/zinc/39/26/01/264392601.db2.gz AIKHITOZZLKLJB-UHFFFAOYSA-N 1 1 276.399 3.264 20 30 CGEDMO N#CC1(c2ccccn2)CC[NH+](Cc2cccc(F)c2)CC1 ZINC000334508699 264396635 /nfs/dbraw/zinc/39/66/35/264396635.db2.gz QUZUVINNUWVGLW-UHFFFAOYSA-N 1 1 295.361 3.278 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)CC1CCC(=O)CC1 ZINC000289388276 264721728 /nfs/dbraw/zinc/72/17/28/264721728.db2.gz QQRBELMVLBEFSN-UHFFFAOYSA-N 1 1 257.377 3.434 20 30 CGEDMO C[C@H]1CCCC[C@@H]1[N@@H+](C)CCOc1ccccc1C#N ZINC000042278402 270031940 /nfs/dbraw/zinc/03/19/40/270031940.db2.gz ODHSKGIIUDYUCX-HOCLYGCPSA-N 1 1 272.392 3.448 20 30 CGEDMO C=CC[N@@H+](CC(=O)N(C1CC1)C1CCC(C)CC1)C1CC1 ZINC000357554766 266323406 /nfs/dbraw/zinc/32/34/06/266323406.db2.gz QHSZQCFSKHCISR-UHFFFAOYSA-N 1 1 290.451 3.207 20 30 CGEDMO C=CC[N@H+](CC(=O)N(C1CC1)C1CCC(C)CC1)C1CC1 ZINC000357554766 266323409 /nfs/dbraw/zinc/32/34/09/266323409.db2.gz QHSZQCFSKHCISR-UHFFFAOYSA-N 1 1 290.451 3.207 20 30 CGEDMO C=CC[N@H+](CCC(=O)Nc1cccc(Cl)c1)C1CC1 ZINC000357555598 266324003 /nfs/dbraw/zinc/32/40/03/266324003.db2.gz VINGDBVCGGIYIM-UHFFFAOYSA-N 1 1 278.783 3.319 20 30 CGEDMO C=CC[N@@H+](CCCOc1ccccc1)C1CCOCC1 ZINC000362247470 266951222 /nfs/dbraw/zinc/95/12/22/266951222.db2.gz DHJQDXDLLJCZKK-UHFFFAOYSA-N 1 1 275.392 3.123 20 30 CGEDMO C=C[C@H](C)NC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000362615954 267023819 /nfs/dbraw/zinc/02/38/19/267023819.db2.gz VJDSSVMBDKTYBM-AWEZNQCLSA-N 1 1 274.408 3.221 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCOC1CCC1 ZINC000367722985 267113051 /nfs/dbraw/zinc/11/30/51/267113051.db2.gz CMNBLODJCKWAJX-QZTJIDSGSA-N 1 1 284.403 3.327 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCOC1CCC1 ZINC000367722985 267113054 /nfs/dbraw/zinc/11/30/54/267113054.db2.gz CMNBLODJCKWAJX-QZTJIDSGSA-N 1 1 284.403 3.327 20 30 CGEDMO N#CC1(CCC[N@H+]2CCC[C@@H](C3CC3)C2)CCOCC1 ZINC000367988546 267132896 /nfs/dbraw/zinc/13/28/96/267132896.db2.gz LJNYLLLNAPALRF-MRXNPFEDSA-N 1 1 276.424 3.209 20 30 CGEDMO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2COc3cc(F)cc(F)c32)C1 ZINC000368397979 267168855 /nfs/dbraw/zinc/16/88/55/267168855.db2.gz AXJJKOLGFWIXOM-IRUJWGPZSA-N 1 1 278.302 3.070 20 30 CGEDMO N#Cc1cc(F)ccc1NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000528209879 270157835 /nfs/dbraw/zinc/15/78/35/270157835.db2.gz NVFNOXQAKPRMTQ-OAHLLOKOSA-N 1 1 273.355 3.126 20 30 CGEDMO C=C[C@@H](C)[NH2+][C@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000119345314 267323946 /nfs/dbraw/zinc/32/39/46/267323946.db2.gz FVMRHXDEJQOMFD-GHMZBOCLSA-N 1 1 290.798 3.454 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc(Br)c(F)c2)CCC1 ZINC000418141697 267363283 /nfs/dbraw/zinc/36/32/83/267363283.db2.gz LMMVMBJGAGQCGQ-UHFFFAOYSA-N 1 1 297.171 3.372 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000120114845 267381458 /nfs/dbraw/zinc/38/14/58/267381458.db2.gz WIPPPJOBFZYSGP-UONOGXRCSA-N 1 1 292.398 3.289 20 30 CGEDMO C[C@@H]1CC(F)(F)CC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000528766111 270171719 /nfs/dbraw/zinc/17/17/19/270171719.db2.gz JGICYONHLJIZJG-GFCCVEGCSA-N 1 1 280.318 3.057 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@@H](OC)CC2)cc1 ZINC000377246805 268059806 /nfs/dbraw/zinc/05/98/06/268059806.db2.gz WPRXHZRABGMQDO-QGZVFWFLSA-N 1 1 287.403 3.090 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2cccc(C#N)n2)C1 ZINC000270027756 274286525 /nfs/dbraw/zinc/28/65/25/274286525.db2.gz GDNOVXGWUYAMHL-CVEARBPZSA-N 1 1 298.434 3.044 20 30 CGEDMO C[C@H](C[NH+]1CCCCC1)N[C@@H](C)c1ccc(C#N)cc1 ZINC000037153944 278187094 /nfs/dbraw/zinc/18/70/94/278187094.db2.gz NZBBEQCPJSEHMQ-CABCVRRESA-N 1 1 271.408 3.083 20 30 CGEDMO C[C@@H](NCC[NH+]1CCCCCC1)c1ccc(C#N)cc1 ZINC000040767279 278347052 /nfs/dbraw/zinc/34/70/52/278347052.db2.gz BEGORPRTKXIXKY-OAHLLOKOSA-N 1 1 271.408 3.085 20 30 CGEDMO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@H]1CCc2ccc(C#N)cc21 ZINC000353413502 279309766 /nfs/dbraw/zinc/30/97/66/279309766.db2.gz PVSQHVNVQKWBNW-CLCXKQKWSA-N 1 1 297.446 3.256 20 30 CGEDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)N[C@H]1CCc2ccc(C#N)cc21 ZINC000353413502 279309767 /nfs/dbraw/zinc/30/97/67/279309767.db2.gz PVSQHVNVQKWBNW-CLCXKQKWSA-N 1 1 297.446 3.256 20 30 CGEDMO N#Cc1cccc(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)c1 ZINC000548385517 289002754 /nfs/dbraw/zinc/00/27/54/289002754.db2.gz QSYBDSNOXZDJDL-QGZVFWFLSA-N 1 1 297.402 3.294 20 30 CGEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)C[C@H]1CC=CCC1 ZINC000554886454 289316961 /nfs/dbraw/zinc/31/69/61/289316961.db2.gz KVKDCSUYOHTANM-KRWDZBQOSA-N 1 1 284.403 3.363 20 30 CGEDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2c2ccc(C#N)c(Cl)c2)C1 ZINC000277034782 290240147 /nfs/dbraw/zinc/24/01/47/290240147.db2.gz OMBJMOHJSCNAGC-BBRMVZONSA-N 1 1 289.810 3.132 20 30 CGEDMO C=CC1CC[NH+]([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000187689690 327719817 /nfs/dbraw/zinc/71/98/17/327719817.db2.gz MPRAJXRYGFPORF-CYBMUJFWSA-N 1 1 293.432 3.049 20 30 CGEDMO C=C(C)CCNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000563365438 328059174 /nfs/dbraw/zinc/05/91/74/328059174.db2.gz YMWRCIKSLARPOU-CQSZACIVSA-N 1 1 280.799 3.025 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412053636 328101528 /nfs/dbraw/zinc/10/15/28/328101528.db2.gz FTXHHCAVSLGBMM-MRXNPFEDSA-N 1 1 278.440 3.210 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1ncccc1O ZINC000571364221 328116775 /nfs/dbraw/zinc/11/67/75/328116775.db2.gz ABONWOATYHHNBA-UHFFFAOYSA-N 1 1 268.360 3.018 20 30 CGEDMO C[C@H](C1CC1)[N@@H+](Cc1ccc(OCC#N)cc1)C1CC1 ZINC000264565847 328160421 /nfs/dbraw/zinc/16/04/21/328160421.db2.gz PUJWORBXMUYLKC-CYBMUJFWSA-N 1 1 270.376 3.352 20 30 CGEDMO C[N@@H+](CCCC#N)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273574158 328205247 /nfs/dbraw/zinc/20/52/47/328205247.db2.gz YQEICZCWAOJFNQ-HZPDHXFCSA-N 1 1 276.355 3.281 20 30 CGEDMO CCC[N@@H+](CC(=O)Nc1ccccc1C)[C@H]1CC[C@@H](C#N)C1 ZINC000278538023 328226801 /nfs/dbraw/zinc/22/68/01/328226801.db2.gz FZVYESLUYCJTHO-CVEARBPZSA-N 1 1 299.418 3.338 20 30 CGEDMO N#C[C@H]1CC[C@H]([N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)C1 ZINC000278697902 328229925 /nfs/dbraw/zinc/22/99/25/328229925.db2.gz SUVLKHZCXODJHC-ZFWWWQNUSA-N 1 1 292.386 3.344 20 30 CGEDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2C(C)(C)C#N)C1 ZINC000285384938 328247608 /nfs/dbraw/zinc/24/76/08/328247608.db2.gz NNMMGRXALUJVKN-GASCZTMLSA-N 1 1 272.392 3.097 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1cc(Cl)ccc1C ZINC000048617709 328319278 /nfs/dbraw/zinc/31/92/78/328319278.db2.gz XBIVIJUPHRTGMA-UHFFFAOYSA-N 1 1 280.799 3.485 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1cc(Cl)ccc1C ZINC000048617709 328319279 /nfs/dbraw/zinc/31/92/79/328319279.db2.gz XBIVIJUPHRTGMA-UHFFFAOYSA-N 1 1 280.799 3.485 20 30 CGEDMO CC(C)[N@@H+](Cc1cnc2c(C#N)cnn2c1)C1CCCCC1 ZINC000563535800 322001836 /nfs/dbraw/zinc/00/18/36/322001836.db2.gz WPRARBDTSTTWKQ-UHFFFAOYSA-N 1 1 297.406 3.144 20 30 CGEDMO CC(C)[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000566621693 322131756 /nfs/dbraw/zinc/13/17/56/322131756.db2.gz JEKOBDFWTOKBTK-OAHLLOKOSA-N 1 1 287.363 3.477 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3ccncc3)C2)s1 ZINC000566923636 322143114 /nfs/dbraw/zinc/14/31/14/322143114.db2.gz MSOCQJZKDJPLEK-AWEZNQCLSA-N 1 1 283.400 3.394 20 30 CGEDMO COC(=O)c1cccc(C[N@@H+](C)C2(C)CCCC2)c1C#N ZINC000567994977 322187429 /nfs/dbraw/zinc/18/74/29/322187429.db2.gz CTOWGQGZSQMOEI-UHFFFAOYSA-N 1 1 286.375 3.109 20 30 CGEDMO CC[C@H](C)C[N@@H+](CC)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000572529428 322341958 /nfs/dbraw/zinc/34/19/58/322341958.db2.gz MGOPLYBTGLENKT-LBPRGKRZSA-N 1 1 275.352 3.334 20 30 CGEDMO CC[C@@H](CC#N)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000568996598 327027918 /nfs/dbraw/zinc/02/79/18/327027918.db2.gz DEBVVHOQRJPPPG-RYUDHWBXSA-N 1 1 261.325 3.246 20 30 CGEDMO C=C(C)C[N@@H+](CC)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000558086991 327064709 /nfs/dbraw/zinc/06/47/09/327064709.db2.gz IMNOEGNXHNWXKG-HNNXBMFYSA-N 1 1 267.800 3.141 20 30 CGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC(C)(C)C1 ZINC000072828304 327112518 /nfs/dbraw/zinc/11/25/18/327112518.db2.gz ZHDQWGBBALQCEE-HNNXBMFYSA-N 1 1 299.418 3.054 20 30 CGEDMO N#CC1(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000569604851 327209338 /nfs/dbraw/zinc/20/93/38/327209338.db2.gz BLTHSUWCIYQUQH-QGZVFWFLSA-N 1 1 295.430 3.077 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)NCc1cccs1 ZINC000150902251 327209424 /nfs/dbraw/zinc/20/94/24/327209424.db2.gz NNZFWNQWVCWKAJ-CQSZACIVSA-N 1 1 294.464 3.431 20 30 CGEDMO C[C@@H](O)C[N@@H+](CCCC(C)(C)C#N)Cc1ccccc1 ZINC000531101211 327246617 /nfs/dbraw/zinc/24/66/17/327246617.db2.gz WFDKXKBYLDUSQN-OAHLLOKOSA-N 1 1 274.408 3.199 20 30 CGEDMO C[C@@H]([NH2+][C@@H](C)CC#N)c1ccc(Br)cc1 ZINC000049525890 327286927 /nfs/dbraw/zinc/28/69/27/327286927.db2.gz FEFNPMQYOJIRQD-VHSXEESVSA-N 1 1 267.170 3.402 20 30 CGEDMO CCCC[N@@H+](C)C[C@H](C)Nc1c(C#N)cnc2ccccc21 ZINC000583403422 327345873 /nfs/dbraw/zinc/34/58/73/327345873.db2.gz ZOCRGJZHVXTBPO-AWEZNQCLSA-N 1 1 296.418 3.061 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000122371966 329001808 /nfs/dbraw/zinc/00/18/08/329001808.db2.gz APOUPEUOWROSPC-UHFFFAOYSA-N 1 1 285.290 3.025 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CC=C(c2ccc(OC)cc2)CC1 ZINC000378158906 329041785 /nfs/dbraw/zinc/04/17/85/329041785.db2.gz HEEIACXXDACCQA-QGZVFWFLSA-N 1 1 287.403 3.111 20 30 CGEDMO CC1(C)C[N@@H+](CCOc2ccccc2C#N)[C@@H]2CCC[C@@H]21 ZINC000393558834 329087310 /nfs/dbraw/zinc/08/73/10/329087310.db2.gz NDXAFNPWZXSNTG-JKSUJKDBSA-N 1 1 284.403 3.448 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000181313444 329231070 /nfs/dbraw/zinc/23/10/70/329231070.db2.gz INWOCZQCAKWESQ-LLVKDONJSA-N 1 1 289.404 3.131 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000181313444 329231071 /nfs/dbraw/zinc/23/10/71/329231071.db2.gz INWOCZQCAKWESQ-LLVKDONJSA-N 1 1 289.404 3.131 20 30 CGEDMO CC[N@@H+](CCCCC#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000183763083 329250346 /nfs/dbraw/zinc/25/03/46/329250346.db2.gz CZTKEGUVBAGXLP-GOSISDBHSA-N 1 1 285.435 3.277 20 30 CGEDMO C=C(C)CC[N@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000582917778 329288766 /nfs/dbraw/zinc/28/87/66/329288766.db2.gz IANZLUXKVYKZTG-LBPRGKRZSA-N 1 1 265.319 3.384 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@H]2c2ccccn2)ccc1F ZINC000583178219 329340356 /nfs/dbraw/zinc/34/03/56/329340356.db2.gz YEJBICWXIMJAFN-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@H]2c2ccccn2)ccc1F ZINC000583178219 329340358 /nfs/dbraw/zinc/34/03/58/329340358.db2.gz YEJBICWXIMJAFN-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO C=C(Br)C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186710110 329347879 /nfs/dbraw/zinc/34/78/79/329347879.db2.gz YHQQXAQYOHMOKR-CQSZACIVSA-N 1 1 294.192 3.026 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@]2(C)CO)cc1Cl ZINC000530359170 329356056 /nfs/dbraw/zinc/35/60/56/329356056.db2.gz BVHPFXVIFYNRED-MRXNPFEDSA-N 1 1 295.810 3.252 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCSc2ccccc21 ZINC000583216310 329372057 /nfs/dbraw/zinc/37/20/57/329372057.db2.gz WIHXHHGLRZDIHJ-TZMCWYRMSA-N 1 1 271.389 3.257 20 30 CGEDMO C=CC[N@H+](CCOC)C[C@H]1CCC2(CCCCC2)O1 ZINC000189423219 329382116 /nfs/dbraw/zinc/38/21/16/329382116.db2.gz XXYZHXAISQNOJZ-OAHLLOKOSA-N 1 1 267.413 3.003 20 30 CGEDMO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)c1ccccc1Cl ZINC000071080487 329856478 /nfs/dbraw/zinc/85/64/78/329856478.db2.gz PIFQEGPJYMJPQZ-ZDUSSCGKSA-N 1 1 292.810 3.191 20 30 CGEDMO C=CC[N@H+](Cc1cc(Cl)cc(OC)c1O)C1CC1 ZINC000273720016 330097695 /nfs/dbraw/zinc/09/76/95/330097695.db2.gz HZPOTKJPDJCFBZ-UHFFFAOYSA-N 1 1 267.756 3.205 20 30 CGEDMO C=CCn1cc(C[NH2+][C@H]2C[C@@H](C(C)C)c3ccccc32)nn1 ZINC000424297893 330336460 /nfs/dbraw/zinc/33/64/60/330336460.db2.gz RHGISKKBVSHJCD-ROUUACIJSA-N 1 1 296.418 3.438 20 30 CGEDMO C=C(CC)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000536889063 330363344 /nfs/dbraw/zinc/36/33/44/330363344.db2.gz HJZLXCWZCAFRSL-KRWDZBQOSA-N 1 1 286.419 3.237 20 30 CGEDMO C=CC[N@H+](C)Cc1ccccc1Oc1cccnc1 ZINC000121180495 330397147 /nfs/dbraw/zinc/39/71/47/330397147.db2.gz HFWHQMYXJXLFHY-UHFFFAOYSA-N 1 1 254.333 3.492 20 30 CGEDMO C=CCC[C@H](C)[NH2+]Cc1noc(-c2ccccc2F)n1 ZINC000435028143 330648164 /nfs/dbraw/zinc/64/81/64/330648164.db2.gz OYHSYZJPNNPAJS-NSHDSACASA-N 1 1 275.327 3.320 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000449244914 330909273 /nfs/dbraw/zinc/90/92/73/330909273.db2.gz WVLVUNSGHNVYQM-CQSZACIVSA-N 1 1 274.364 3.020 20 30 CGEDMO N#CC1(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)CCC1 ZINC000450980680 331009845 /nfs/dbraw/zinc/00/98/45/331009845.db2.gz NQHOQLJBSAQMRS-KURKYZTESA-N 1 1 296.414 3.185 20 30 CGEDMO CCO[C@@H]1CC[N@@H+](CCCC(C)(C)C#N)C[C@@H]1C ZINC000451540721 331033109 /nfs/dbraw/zinc/03/31/09/331033109.db2.gz KXELCHNCINQASJ-UONOGXRCSA-N 1 1 252.402 3.063 20 30 CGEDMO N#CCCOCC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000451878016 331045858 /nfs/dbraw/zinc/04/58/58/331045858.db2.gz KZPPPNZSOZCGMJ-MRXNPFEDSA-N 1 1 298.390 3.020 20 30 CGEDMO N#CCCOCC[N@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000451878016 331045859 /nfs/dbraw/zinc/04/58/59/331045859.db2.gz KZPPPNZSOZCGMJ-MRXNPFEDSA-N 1 1 298.390 3.020 20 30 CGEDMO C=CCC1(C(=O)N2CC[N@@H+](CC)C[C@@H]2C)CCCCC1 ZINC000451920053 331047332 /nfs/dbraw/zinc/04/73/32/331047332.db2.gz VPSKXWQJCJEWTI-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC1(C(=O)N2CC[N@H+](CC)C[C@@H]2C)CCCCC1 ZINC000451920053 331047333 /nfs/dbraw/zinc/04/73/33/331047333.db2.gz VPSKXWQJCJEWTI-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H](CCCO)C1 ZINC000452127087 331055108 /nfs/dbraw/zinc/05/51/08/331055108.db2.gz KUYDEJLGVQSPTK-OAHLLOKOSA-N 1 1 286.419 3.082 20 30 CGEDMO C=C(C)CCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000452717761 331073183 /nfs/dbraw/zinc/07/31/83/331073183.db2.gz MWWPDJFSAUTHGO-QGZVFWFLSA-N 1 1 286.419 3.124 20 30 CGEDMO CC(C)[C@H]1[N@@H+](C[C@@H](C#N)CCC#N)CC12CCCC2 ZINC000453034117 331084360 /nfs/dbraw/zinc/08/43/60/331084360.db2.gz JAYALGFIWLOGGE-HUUCEWRRSA-N 1 1 259.397 3.331 20 30 CGEDMO C=C(CC)C[NH2+][C@H](c1ccn(C)n1)c1ccc(F)cc1 ZINC000453368455 331123627 /nfs/dbraw/zinc/12/36/27/331123627.db2.gz QKECOMIUSZSZRN-INIZCTEOSA-N 1 1 273.355 3.204 20 30 CGEDMO C=CCC1(CNC(=O)[C@H]2CCCc3[nH+]ccn32)CCCC1 ZINC000456510180 331194749 /nfs/dbraw/zinc/19/47/49/331194749.db2.gz RPSLGEGZWAOTPK-CQSZACIVSA-N 1 1 287.407 3.013 20 30 CGEDMO N#CC1(C[NH2+][C@H](c2ccccc2)C2(CO)CCCC2)CC1 ZINC000459539424 331286680 /nfs/dbraw/zinc/28/66/80/331286680.db2.gz JORPYMRNCUHYHH-MRXNPFEDSA-N 1 1 284.403 3.174 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCC[C@H]2c2ccccc2)C1=O ZINC000459720172 331295615 /nfs/dbraw/zinc/29/56/15/331295615.db2.gz ZFDPEERSMFVARC-BZSNNMDCSA-N 1 1 298.430 3.041 20 30 CGEDMO N#CCSCCC[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC000459754885 331298672 /nfs/dbraw/zinc/29/86/72/331298672.db2.gz FFQOLUYFTIEWDJ-UHFFFAOYSA-N 1 1 266.797 3.302 20 30 CGEDMO N#CCSCCC[N@H+]1Cc2ccc(Cl)cc2C1 ZINC000459754885 331298671 /nfs/dbraw/zinc/29/86/71/331298671.db2.gz FFQOLUYFTIEWDJ-UHFFFAOYSA-N 1 1 266.797 3.302 20 30 CGEDMO CC#CCC[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000462325282 331319864 /nfs/dbraw/zinc/31/98/64/331319864.db2.gz NFYRLGZFHVKASU-UHFFFAOYSA-N 1 1 296.208 3.173 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](C2CCCCC2)C[C@H]1C(=O)OC ZINC000464821287 331369553 /nfs/dbraw/zinc/36/95/53/331369553.db2.gz HWGRDMHNMDHJCW-CABCVRRESA-N 1 1 265.397 3.006 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000488550462 332016918 /nfs/dbraw/zinc/01/69/18/332016918.db2.gz FGRCZKSAJZVFIS-OAHLLOKOSA-N 1 1 292.810 3.343 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2ncnn2CC(F)F)CCCC1(C)C ZINC000489018123 332038013 /nfs/dbraw/zinc/03/80/13/332038013.db2.gz QVGDZUDOYSRWLQ-GFCCVEGCSA-N 1 1 298.381 3.110 20 30 CGEDMO C=CC[C@H]1[N@H+](Cc2ncnn2CC(F)F)CCCC1(C)C ZINC000489018123 332038015 /nfs/dbraw/zinc/03/80/15/332038015.db2.gz QVGDZUDOYSRWLQ-GFCCVEGCSA-N 1 1 298.381 3.110 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)N(Cc1ccccc1)C1CC1 ZINC000489404902 332050437 /nfs/dbraw/zinc/05/04/37/332050437.db2.gz PWZWLVNGNJSKMC-KRWDZBQOSA-N 1 1 298.430 3.218 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1cc(C)cc(C)c1 ZINC000489406111 332050684 /nfs/dbraw/zinc/05/06/84/332050684.db2.gz RHYZJBMEBBKRCS-SJORKVTESA-N 1 1 289.419 3.084 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1cncn1Cc1ccccc1 ZINC000489413489 332050932 /nfs/dbraw/zinc/05/09/32/332050932.db2.gz YCRNZIXOUDPFRG-KRWDZBQOSA-N 1 1 281.403 3.472 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1c(C)cccc1C ZINC000489421850 332051110 /nfs/dbraw/zinc/05/11/10/332051110.db2.gz CZUMKEZYSUPIEB-OAHLLOKOSA-N 1 1 272.392 3.282 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1c(C)cccc1C ZINC000489421850 332051111 /nfs/dbraw/zinc/05/11/11/332051111.db2.gz CZUMKEZYSUPIEB-OAHLLOKOSA-N 1 1 272.392 3.282 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CCOc1cccc(OC)c1 ZINC000489446655 332053316 /nfs/dbraw/zinc/05/33/16/332053316.db2.gz IHIPEYKOWOJWSB-AWEZNQCLSA-N 1 1 261.365 3.115 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000489468743 332054717 /nfs/dbraw/zinc/05/47/17/332054717.db2.gz BWZBNBXYENSSLA-INIZCTEOSA-N 1 1 267.376 3.413 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CCCN1CCCC[C@H]1C=C ZINC000489481967 332055326 /nfs/dbraw/zinc/05/53/26/332055326.db2.gz RIMQELNGOJIVAF-CALCHBBNSA-N 1 1 262.441 3.458 20 30 CGEDMO C#CC[N@@H+](Cc1conc1C)[C@@H]1CCc2ccccc21 ZINC000491125041 332153190 /nfs/dbraw/zinc/15/31/90/332153190.db2.gz ARJQQDQHDRHNKE-QGZVFWFLSA-N 1 1 266.344 3.106 20 30 CGEDMO C#CC[N@H+](Cc1conc1C)[C@@H]1CCc2ccccc21 ZINC000491125041 332153192 /nfs/dbraw/zinc/15/31/92/332153192.db2.gz ARJQQDQHDRHNKE-QGZVFWFLSA-N 1 1 266.344 3.106 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccccc1OCc1ccccn1 ZINC000491672783 332279337 /nfs/dbraw/zinc/27/93/37/332279337.db2.gz UZPBLHIOXZNVIS-HNNXBMFYSA-N 1 1 280.371 3.114 20 30 CGEDMO N#CC1(C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000494448035 332473669 /nfs/dbraw/zinc/47/36/69/332473669.db2.gz CZSLYEZMADMOSH-UONOGXRCSA-N 1 1 276.767 3.063 20 30 CGEDMO N#CC1(C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)CC1 ZINC000494448033 332473682 /nfs/dbraw/zinc/47/36/82/332473682.db2.gz CZSLYEZMADMOSH-KBPBESRZSA-N 1 1 276.767 3.063 20 30 CGEDMO N#CC1(C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000494492954 332475806 /nfs/dbraw/zinc/47/58/06/332475806.db2.gz IWVZQTOBUJGVGT-UONOGXRCSA-N 1 1 294.757 3.202 20 30 CGEDMO C=CC[N@H+](CC)Cc1cccc(Br)c1 ZINC000514003048 333059227 /nfs/dbraw/zinc/05/92/27/333059227.db2.gz GEBXNQVHKPILOV-UHFFFAOYSA-N 1 1 254.171 3.457 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](CC)Cc1cccs1 ZINC000192614599 333237054 /nfs/dbraw/zinc/23/70/54/333237054.db2.gz QOHASAFLYVVHKS-AWEZNQCLSA-N 1 1 294.464 3.383 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+](CCC)Cc1ccccc1 ZINC000302836943 333335691 /nfs/dbraw/zinc/33/56/91/333335691.db2.gz JZHJYFPNRHJGRE-UHFFFAOYSA-N 1 1 288.435 3.323 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000523760336 333344393 /nfs/dbraw/zinc/34/43/93/333344393.db2.gz QDLNEQVRXDFMHL-SJLPKXTDSA-N 1 1 298.430 3.065 20 30 CGEDMO N#CCSCCC[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000074981032 334021453 /nfs/dbraw/zinc/02/14/53/334021453.db2.gz UXKLHFGEZOJZPJ-ZIAGYGMSSA-N 1 1 252.427 3.288 20 30 CGEDMO CS[C@@H]1CCCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000134551558 334095000 /nfs/dbraw/zinc/09/50/00/334095000.db2.gz UDBXFOZSUFRNGN-MRXNPFEDSA-N 1 1 277.408 3.395 20 30 CGEDMO C=CCCCN(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000547731744 334113045 /nfs/dbraw/zinc/11/30/45/334113045.db2.gz FKBRWZBVDFZPQX-UHFFFAOYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@H](c2ccc(C)cc2)C1 ZINC000547767803 334115806 /nfs/dbraw/zinc/11/58/06/334115806.db2.gz KJTKARLHIURAFB-KRWDZBQOSA-N 1 1 259.393 3.377 20 30 CGEDMO CCOC[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000135120535 334116600 /nfs/dbraw/zinc/11/66/00/334116600.db2.gz ZQMOQUJIZZQCKM-AWEZNQCLSA-N 1 1 277.795 3.050 20 30 CGEDMO C=CCOCC[N@H+]1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000549860973 334207222 /nfs/dbraw/zinc/20/72/22/334207222.db2.gz UTQSXEPKUOALKK-BBRMVZONSA-N 1 1 263.356 3.411 20 30 CGEDMO CC[C@@H](C)C[N@@H+](CC)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000245937781 334224691 /nfs/dbraw/zinc/22/46/91/334224691.db2.gz ZTPAELSCTXSEBG-HUUCEWRRSA-N 1 1 293.455 3.086 20 30 CGEDMO Clc1cccc(C#CC[N@H+]2CCC[C@H]2[C@H]2CCCO2)c1 ZINC000551423607 334250098 /nfs/dbraw/zinc/25/00/98/334250098.db2.gz NVTGOTACZREBRM-DLBZAZTESA-N 1 1 289.806 3.335 20 30 CGEDMO C[N@@H+](CCOCc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000343540445 335208557 /nfs/dbraw/zinc/20/85/57/335208557.db2.gz RLTMYXWWMBPEEH-UHFFFAOYSA-N 1 1 294.398 3.401 20 30 CGEDMO FC(F)(F)c1ccc(C#CC[NH2+]Cc2ccco2)cc1 ZINC000177714938 335381360 /nfs/dbraw/zinc/38/13/60/335381360.db2.gz ILTMSAYBEZAZTD-UHFFFAOYSA-N 1 1 279.261 3.440 20 30 CGEDMO N#Cc1csc(C[NH+]2CCC(C(F)(F)F)CC2)c1 ZINC000179965382 335536627 /nfs/dbraw/zinc/53/66/27/335536627.db2.gz GMSNXQHIWKEWOG-UHFFFAOYSA-N 1 1 274.311 3.394 20 30 CGEDMO C[C@@H]([NH2+][C@@H](C)c1cscn1)c1cccc(C#N)c1 ZINC000579149716 335716459 /nfs/dbraw/zinc/71/64/59/335716459.db2.gz YMTNHJILNWUOGX-MNOVXSKESA-N 1 1 257.362 3.427 20 30 CGEDMO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)c2nccn21 ZINC000579437602 335755169 /nfs/dbraw/zinc/75/51/69/335755169.db2.gz AJJWHHFZUXTQLC-OAUYIBNBSA-N 1 1 292.386 3.428 20 30 CGEDMO CCC1CCC([N@@H+](C)Cc2ccc(C#N)cn2)CC1 ZINC000581200380 336023879 /nfs/dbraw/zinc/02/38/79/336023879.db2.gz GEEMABFBXFDEJE-UHFFFAOYSA-N 1 1 257.381 3.354 20 30 CGEDMO C=CCCC[N@H+](C)CC/C=C\c1cncc(OC)c1 ZINC000581940727 336173391 /nfs/dbraw/zinc/17/33/91/336173391.db2.gz XNGUEXNYJPTYBA-TWGQIWQCSA-N 1 1 260.381 3.392 20 30 CGEDMO COc1cc(C[NH2+][C@@H]2C[C@@]2(F)c2ccccc2)ccc1C#N ZINC000424208730 533899566 /nfs/dbraw/zinc/89/95/66/533899566.db2.gz YTAIGAZNNPTXLR-QZTJIDSGSA-N 1 1 296.345 3.294 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cn2ccsc2n1 ZINC000425530592 534081265 /nfs/dbraw/zinc/08/12/65/534081265.db2.gz FNQLRZCTKXDJCC-LBPRGKRZSA-N 1 1 296.399 3.460 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cn2ccsc2n1 ZINC000425530592 534081268 /nfs/dbraw/zinc/08/12/68/534081268.db2.gz FNQLRZCTKXDJCC-LBPRGKRZSA-N 1 1 296.399 3.460 20 30 CGEDMO C=CCC[C@@H](C)[NH2+]Cc1noc(-c2cccs2)n1 ZINC000294998721 517328473 /nfs/dbraw/zinc/32/84/73/517328473.db2.gz LDYQPHUVUJGTKV-SNVBAGLBSA-N 1 1 263.366 3.242 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCSC(C)(C)C1 ZINC000083415596 526035538 /nfs/dbraw/zinc/03/55/38/526035538.db2.gz ARPKZPKAFQLXEW-LBPRGKRZSA-N 1 1 260.406 3.447 20 30 CGEDMO C=CC[N@@H+](Cc1c[nH]c2nccnc12)Cc1ccccc1 ZINC000356053817 526381695 /nfs/dbraw/zinc/38/16/95/526381695.db2.gz JDRUUXABVLQIKB-UHFFFAOYSA-N 1 1 278.359 3.098 20 30 CGEDMO C=C(C)CC[N@H+](CC)C[C@H]1COc2ccccc2O1 ZINC000351902840 526441393 /nfs/dbraw/zinc/44/13/93/526441393.db2.gz ICKPMBPQJPSJPN-AWEZNQCLSA-N 1 1 261.365 3.115 20 30 CGEDMO C=C(C)C[N@H+](CCSC(C)C)Cc1ccc(CO)o1 ZINC000352801874 526552807 /nfs/dbraw/zinc/55/28/07/526552807.db2.gz LFBGXMAZUWWCHP-UHFFFAOYSA-N 1 1 283.437 3.292 20 30 CGEDMO C=CCOCCC[N@H+](C)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000348059117 526748399 /nfs/dbraw/zinc/74/83/99/526748399.db2.gz VUCSOOLNJXWNNP-CVEARBPZSA-N 1 1 281.440 3.249 20 30 CGEDMO C=CCOCCC[N@@H+](Cc1cccs1)C1CC1 ZINC000347969388 526749232 /nfs/dbraw/zinc/74/92/32/526749232.db2.gz LHFHSOJOYWFACL-UHFFFAOYSA-N 1 1 251.395 3.305 20 30 CGEDMO C=CCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000110390543 527071741 /nfs/dbraw/zinc/07/17/41/527071741.db2.gz MQMFSHSDNJOLFK-AYHJJNSGSA-N 1 1 298.430 3.264 20 30 CGEDMO C=CCCCCCN(C)Cc1ncc(C[NH+](C)C)s1 ZINC000347860690 527128816 /nfs/dbraw/zinc/12/88/16/527128816.db2.gz JSTKSYWHPDVBBG-UHFFFAOYSA-N 1 1 281.469 3.383 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000351320140 527491686 /nfs/dbraw/zinc/49/16/86/527491686.db2.gz AKWCTPQBNROOBW-IRXDYDNUSA-N 1 1 277.383 3.160 20 30 CGEDMO CC(C)CC[C@@H](O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425540511 527812298 /nfs/dbraw/zinc/81/22/98/527812298.db2.gz VOOKSILSJGCVPH-WMLDXEAASA-N 1 1 274.408 3.348 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](CC(C)(C)CCC#N)CCCO1 ZINC000354780093 527854691 /nfs/dbraw/zinc/85/46/91/527854691.db2.gz AQFHDDFKASBGMQ-CQSZACIVSA-N 1 1 252.402 3.063 20 30 CGEDMO CC[N@H+]1C[C@H](C)N(Cc2ccc(C#N)cc2Cl)C[C@H]1C ZINC000439467172 527972691 /nfs/dbraw/zinc/97/26/91/527972691.db2.gz YHZMPGCMVZNBPC-OLZOCXBDSA-N 1 1 291.826 3.126 20 30 CGEDMO CC(C)C[C@]1(CO)CCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000355744245 528622934 /nfs/dbraw/zinc/62/29/34/528622934.db2.gz KPYSHQXJDPTPGD-SFHVURJKSA-N 1 1 286.419 3.126 20 30 CGEDMO CC(C)[N@@H+](CCC1(O)CCC1)Cc1ccc(C#N)cc1 ZINC000411116602 528880406 /nfs/dbraw/zinc/88/04/06/528880406.db2.gz ZJMVFMANKUVKIF-UHFFFAOYSA-N 1 1 272.392 3.074 20 30 CGEDMO CC(C)[C@H](C)[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441233282 528959619 /nfs/dbraw/zinc/95/96/19/528959619.db2.gz MNSCAJCODKJVTI-LBPRGKRZSA-N 1 1 284.363 3.085 20 30 CGEDMO CC(C)C[C@@H](C)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000451036976 535269926 /nfs/dbraw/zinc/26/99/26/535269926.db2.gz HGNBGNNFXNQPLU-OAHLLOKOSA-N 1 1 274.408 3.441 20 30 CGEDMO Fc1cc(C=[NH+]Nc2ccccc2)ccc1N1CCOCC1 ZINC000727252458 571734342 /nfs/dbraw/zinc/73/43/42/571734342.db2.gz ZEIVMIFZDZEKDI-UHFFFAOYSA-N 1 1 299.349 3.108 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000725799461 572407339 /nfs/dbraw/zinc/40/73/39/572407339.db2.gz UZHRHSPPSUTVJP-LSDHHAIUSA-N 1 1 294.439 3.426 20 30 CGEDMO C#CC[N@H+](Cc1ncc(C)c(OC)c1C)C1CCCCC1 ZINC000731890746 572433918 /nfs/dbraw/zinc/43/39/18/572433918.db2.gz YVLCRKGMAFZDJW-UHFFFAOYSA-N 1 1 286.419 3.475 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000740877408 572464943 /nfs/dbraw/zinc/46/49/43/572464943.db2.gz LWFAZPYQUPTPFG-MRXNPFEDSA-N 1 1 280.456 3.434 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000740876537 572465561 /nfs/dbraw/zinc/46/55/61/572465561.db2.gz YXDZYMMAOBWYBW-MRXNPFEDSA-N 1 1 282.472 3.441 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Br)cn1)C(C)C ZINC000732696149 572477928 /nfs/dbraw/zinc/47/79/28/572477928.db2.gz ZEMMRCONEJAYRP-UHFFFAOYSA-N 1 1 269.186 3.241 20 30 CGEDMO C#CC[N@H+](CCCOC(C)C)[C@@H]1CCc2ccccc21 ZINC000741776543 572526263 /nfs/dbraw/zinc/52/62/63/572526263.db2.gz LTRJEDWLZRTILU-GOSISDBHSA-N 1 1 271.404 3.424 20 30 CGEDMO CCCCCC[C@@H](C)NN=C1CC[N@@H+](C)[C@@H](C)C1 ZINC000743450551 572663030 /nfs/dbraw/zinc/66/30/30/572663030.db2.gz MCEFGKKKGMRWRS-KGLIPLIRSA-N 1 1 253.434 3.405 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)C[C@@H](O)c1cccc(F)c1 ZINC000744405738 572749989 /nfs/dbraw/zinc/74/99/89/572749989.db2.gz VNYLPAPOYFEYFU-MRXNPFEDSA-N 1 1 278.371 3.121 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)C[C@@H](O)c1cccc(F)c1 ZINC000744405738 572749991 /nfs/dbraw/zinc/74/99/91/572749991.db2.gz VNYLPAPOYFEYFU-MRXNPFEDSA-N 1 1 278.371 3.121 20 30 CGEDMO CCCCCCC[N@H+]1CCCN(c2nc(C)ns2)CC1 ZINC000744418838 572751160 /nfs/dbraw/zinc/75/11/60/572751160.db2.gz AWCXQDNDZKFEAG-UHFFFAOYSA-N 1 1 296.484 3.329 20 30 CGEDMO C=CC[N@H+](Cc1cc(OC)c(OC)cc1OC)C(C)C ZINC000746152740 572857129 /nfs/dbraw/zinc/85/71/29/572857129.db2.gz BZAFRVZKKSQRIA-UHFFFAOYSA-N 1 1 279.380 3.109 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OC)cc1OC)C1CCCC1 ZINC000746153637 572857599 /nfs/dbraw/zinc/85/75/99/572857599.db2.gz SUMTUQZUMJTAMV-UHFFFAOYSA-N 1 1 273.376 3.082 20 30 CGEDMO C#CC[N@H+](Cc1cc(C#N)ccc1OC)C1CCCCC1 ZINC000746450995 572872305 /nfs/dbraw/zinc/87/23/05/572872305.db2.gz PPBZCPQRIWAJBV-UHFFFAOYSA-N 1 1 282.387 3.335 20 30 CGEDMO COc1ccc(C[NH2+]Cc2cccc(F)c2F)cc1C#N ZINC000746742149 572893887 /nfs/dbraw/zinc/89/38/87/572893887.db2.gz PMHANVHFZVNSAN-UHFFFAOYSA-N 1 1 288.297 3.135 20 30 CGEDMO COc1ccc(-c2cc(C[NH+]3CCC(C#N)CC3)on2)cc1 ZINC000747088644 572909334 /nfs/dbraw/zinc/90/93/34/572909334.db2.gz HWOUXTJFIWDPFT-UHFFFAOYSA-N 1 1 297.358 3.086 20 30 CGEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCCC)[C@H](C)C2)cc1 ZINC000947611012 613190753 /nfs/dbraw/zinc/19/07/53/613190753.db2.gz FBBFOXZGBGXXPM-QAPCUYQASA-N 1 1 298.430 3.051 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@H]([C@@H]2CC[N@H+](CC)C2)C1 ZINC000961226513 613240501 /nfs/dbraw/zinc/24/05/01/613240501.db2.gz HFIDVRIWCHWBND-JKSUJKDBSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)C(C)(C)C2CCC2)CC1 ZINC000981700213 613251117 /nfs/dbraw/zinc/25/11/17/613251117.db2.gz UNTDKJAJCMUPNG-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[NH+]1CCN(C(=O)c2occc2C(C)C)CC1 ZINC000949824174 613263151 /nfs/dbraw/zinc/26/31/51/613263151.db2.gz DBJFHQHPZFSTET-UHFFFAOYSA-N 1 1 290.407 3.127 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)o2)C[C@H]1C ZINC000947025524 613267419 /nfs/dbraw/zinc/26/74/19/613267419.db2.gz FLFMMWZNDIQVIB-UKRRQHHQSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2=CCCC2)C[C@H]1C ZINC000947191607 613270531 /nfs/dbraw/zinc/27/05/31/613270531.db2.gz VGIMRFRDSADUMM-ZBFHGGJFSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)/C(C)=C/C)C[C@@]2(C)C1 ZINC000982250563 613276204 /nfs/dbraw/zinc/27/62/04/613276204.db2.gz VKWVDZXXMSPMID-CJDLECJZSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC000980509349 613285397 /nfs/dbraw/zinc/28/53/97/613285397.db2.gz ZAAJBZHLRSMPGF-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC2(CN(C(=O)C(C)(CC)CC)C2)C1 ZINC000982157650 613305136 /nfs/dbraw/zinc/30/51/36/613305136.db2.gz VVJCQSMGRXVBCY-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC2CC2)C1 ZINC000963229800 613314556 /nfs/dbraw/zinc/31/45/56/613314556.db2.gz IVUHTRKNFIUHPA-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H](C)C2CCC2)CC1 ZINC000948541650 613314656 /nfs/dbraw/zinc/31/46/56/613314656.db2.gz HJVZTLVEPZYYRP-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)c2cc(C)ccc2C2CC2)CC1 ZINC000949464725 613319942 /nfs/dbraw/zinc/31/99/42/613319942.db2.gz FGOGTOVIIQXHON-UHFFFAOYSA-N 1 1 298.430 3.206 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccoc2CC)C[C@H]1C ZINC000947265128 613330410 /nfs/dbraw/zinc/33/04/10/613330410.db2.gz DGMNLMDRPONBDD-ZIAGYGMSSA-N 1 1 290.407 3.001 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccsc2C)[C@H](C)C1 ZINC000942030889 613330621 /nfs/dbraw/zinc/33/06/21/613330621.db2.gz DJUNMJFCQLKYPX-IUODEOHRSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2occc2CC)C[C@H]1C ZINC000947690178 613331650 /nfs/dbraw/zinc/33/16/50/613331650.db2.gz RPQONVHVMXTZAW-UKRRQHHQSA-N 1 1 290.407 3.001 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C=C2CCCCC2)[C@@H](C)C1 ZINC000941873859 613335009 /nfs/dbraw/zinc/33/50/09/613335009.db2.gz IWYXFDNKPRWKMW-RDJZCZTQSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccccc2C)[C@@H](C)C1 ZINC000941767101 613336275 /nfs/dbraw/zinc/33/62/75/613336275.db2.gz DSRJODKOHPKIJP-RDJZCZTQSA-N 1 1 286.419 3.011 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)CC2CC(C)(C)C2)C(C)(C)C1 ZINC000974944272 613341485 /nfs/dbraw/zinc/34/14/85/613341485.db2.gz IEPDPOYOCJKIEJ-HNNXBMFYSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)CC)CC[C@@H]2C1 ZINC000946739991 613343386 /nfs/dbraw/zinc/34/33/86/613343386.db2.gz KVXIVUSWACEJHA-IYBDPMFKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)C2CCC2)C1 ZINC000972012406 613367866 /nfs/dbraw/zinc/36/78/66/613367866.db2.gz PGAYLUIPARSAAU-CQSZACIVSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)C2CCC2)C1 ZINC000972012406 613367867 /nfs/dbraw/zinc/36/78/67/613367867.db2.gz PGAYLUIPARSAAU-CQSZACIVSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CC(C)C2)C(C)(C)C1 ZINC000940664860 613375943 /nfs/dbraw/zinc/37/59/43/613375943.db2.gz OCSBASSXHMWGSR-UXUKBGGZSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CC(C)C2)C(C)(C)C1 ZINC000940664860 613375944 /nfs/dbraw/zinc/37/59/44/613375944.db2.gz OCSBASSXHMWGSR-UXUKBGGZSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2(C)CC=CC2)C[C@@H]1C ZINC000947693882 613378341 /nfs/dbraw/zinc/37/83/41/613378341.db2.gz TYJNNPXWUCWQPR-KBPBESRZSA-N 1 1 296.842 3.064 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2(C)CC=CC2)C[C@@H]1C ZINC000947693882 613378342 /nfs/dbraw/zinc/37/83/42/613378342.db2.gz TYJNNPXWUCWQPR-KBPBESRZSA-N 1 1 296.842 3.064 20 30 CGEDMO C=CCC[N@@H+]1CCCC2(CN(C(=O)[C@](C)(C=C)CC)C2)C1 ZINC000981987618 613489278 /nfs/dbraw/zinc/48/92/78/613489278.db2.gz FYOKMEDFYDQYKF-QGZVFWFLSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000968722286 613490616 /nfs/dbraw/zinc/49/06/16/613490616.db2.gz MCJXEEDQWSIWRV-QGZVFWFLSA-N 1 1 286.419 3.237 20 30 CGEDMO C=CCC[N@H+]1CCCN(C(=O)CC2CCCCC2)CC1 ZINC000980667160 613492695 /nfs/dbraw/zinc/49/26/95/613492695.db2.gz GDQHFVJPAAJYMR-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)F)C1 ZINC000963231671 613500254 /nfs/dbraw/zinc/50/02/54/613500254.db2.gz MEMGBDIRWPJDQK-LSDHHAIUSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)C2(C)CCCCC2)[C@@H](C)C1 ZINC000942596471 613533733 /nfs/dbraw/zinc/53/37/33/613533733.db2.gz AXRXRSZBGZGMAF-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C=C(C)C)C2)C1 ZINC000961111666 613543431 /nfs/dbraw/zinc/54/34/31/613543431.db2.gz KZECFMXINGUVLX-IRXDYDNUSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@H+]1C[C@H](NC(=O)C[C@@H]2CC=CCC2)C(C)(C)C1 ZINC000974917227 613553768 /nfs/dbraw/zinc/55/37/68/613553768.db2.gz PUXGUZSKBIRWBM-CVEARBPZSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)CCC2CCCCCC2)C1 ZINC000971953066 613611584 /nfs/dbraw/zinc/61/15/84/613611584.db2.gz AEBRHLHSYDFKKE-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)CCC2CCCCCC2)C1 ZINC000971953065 613627125 /nfs/dbraw/zinc/62/71/25/613627125.db2.gz AEBRHLHSYDFKKE-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC000969103414 613686494 /nfs/dbraw/zinc/68/64/94/613686494.db2.gz RUOWIXFGZBGLPM-JKSUJKDBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)c2cc(C)ccc2C2CC2)CC1 ZINC000981684279 613696069 /nfs/dbraw/zinc/69/60/69/613696069.db2.gz DQZVXSAIBMYGBE-UHFFFAOYSA-N 1 1 298.430 3.206 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)C2(C)CCCC2)CC1 ZINC000948662297 613700339 /nfs/dbraw/zinc/70/03/39/613700339.db2.gz VJLLYOQRTOGDTN-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccsc2Cl)C[C@@H]1C ZINC000947779396 613756720 /nfs/dbraw/zinc/75/67/20/613756720.db2.gz OZOAPZVOADQNPR-WDEREUQCSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2C(C)(C)C2(C)C)C(C)(C)C1 ZINC000940656281 613780255 /nfs/dbraw/zinc/78/02/55/613780255.db2.gz BLRNAOPRFVJGRO-ZDUSSCGKSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C(C)(C)C1 ZINC000940886787 613784064 /nfs/dbraw/zinc/78/40/64/613784064.db2.gz SIUDDXOCTPSDEU-KFWWJZLASA-N 1 1 292.467 3.071 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cc(C)sc2C)C[C@H]1C ZINC000947515640 613788260 /nfs/dbraw/zinc/78/82/60/613788260.db2.gz MPFZEWLORVVBEU-RISCZKNCSA-N 1 1 292.448 3.134 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccoc2C(C)C)C[C@H]1C ZINC000948072639 613794322 /nfs/dbraw/zinc/79/43/22/613794322.db2.gz AOUKIJRANMPEJF-KGLIPLIRSA-N 1 1 290.407 3.172 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccoc2CCC)C[C@@H]1C ZINC000947925573 613794328 /nfs/dbraw/zinc/79/43/28/613794328.db2.gz QIQFTLDCMYDTFW-KBPBESRZSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cscc2Cl)C[C@H]1C ZINC000947427310 613799759 /nfs/dbraw/zinc/79/97/59/613799759.db2.gz ZZGUIOAPLNNQFM-MNOVXSKESA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)C2CCCCCCC2)C(C)(C)C1 ZINC000974805921 613826478 /nfs/dbraw/zinc/82/64/78/613826478.db2.gz ZFZJPUIROVLIBF-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@@H](C)CC(C)(C)C#N ZINC000924765369 620731207 /nfs/dbraw/zinc/73/12/07/620731207.db2.gz LTODGBKCCLPHIS-QLFBSQMISA-N 1 1 265.445 3.025 20 30 CGEDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)N[C@@H](C)CC(C)(C)C#N ZINC000924765369 620731208 /nfs/dbraw/zinc/73/12/08/620731208.db2.gz LTODGBKCCLPHIS-QLFBSQMISA-N 1 1 265.445 3.025 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCC2CC2)C1 ZINC001021549096 618034645 /nfs/dbraw/zinc/03/46/45/618034645.db2.gz WIHCAUSMDSGOQJ-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO COc1cc(C[N@@H+](CCC#N)CC(C)(C)C)c(O)cc1C ZINC000160155148 617607546 /nfs/dbraw/zinc/60/75/46/617607546.db2.gz HQHVRFFJNFNZDF-UHFFFAOYSA-N 1 1 290.407 3.471 20 30 CGEDMO C#C[C@H]([NH2+]Cc1cscc1C(F)(F)F)[C@H]1CCCO1 ZINC000811491125 617627803 /nfs/dbraw/zinc/62/78/03/617627803.db2.gz AAVDFVPLSYZWHD-NWDGAFQWSA-N 1 1 289.322 3.037 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC(C)(C)C)C1 ZINC001021522734 618021773 /nfs/dbraw/zinc/02/17/73/618021773.db2.gz ITOHENAGKSHCGI-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCC2CCC2)C1 ZINC001021554221 618038888 /nfs/dbraw/zinc/03/88/88/618038888.db2.gz LOQJXTPPVJOVAG-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810910269 618062262 /nfs/dbraw/zinc/06/22/62/618062262.db2.gz FVEOTWWIVULJJW-XJKSGUPXSA-N 1 1 284.419 3.060 20 30 CGEDMO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc2c(c1)CCO2 ZINC000933489426 618237467 /nfs/dbraw/zinc/23/74/67/618237467.db2.gz SGPLANHGEDMAQP-GFCCVEGCSA-N 1 1 296.345 3.483 20 30 CGEDMO C=CC[N@@H+](Cc1cnn(C)c1C1CC1)Cc1ccccc1 ZINC000891674833 618245565 /nfs/dbraw/zinc/24/55/65/618245565.db2.gz KBMIVLJYMHPKLH-UHFFFAOYSA-N 1 1 281.403 3.486 20 30 CGEDMO C=CC[N@H+](Cc1cnn(C)c1C1CC1)Cc1ccccc1 ZINC000891674833 618245567 /nfs/dbraw/zinc/24/55/67/618245567.db2.gz KBMIVLJYMHPKLH-UHFFFAOYSA-N 1 1 281.403 3.486 20 30 CGEDMO CC(C)(C#N)CCC[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933626351 618265115 /nfs/dbraw/zinc/26/51/15/618265115.db2.gz CPRHNWRNNTUUDL-QGZVFWFLSA-N 1 1 297.402 3.262 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933626351 618265125 /nfs/dbraw/zinc/26/51/25/618265125.db2.gz CPRHNWRNNTUUDL-QGZVFWFLSA-N 1 1 297.402 3.262 20 30 CGEDMO C[N@@H+](Cc1csc(C#N)c1)[C@@H](CCO)c1ccccc1 ZINC000892051484 618505653 /nfs/dbraw/zinc/50/56/53/618505653.db2.gz BZZWEAKYZYTMLX-INIZCTEOSA-N 1 1 286.400 3.175 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CC[C@@H](Cc3nccs3)C2)cc1 ZINC000934332215 618595134 /nfs/dbraw/zinc/59/51/34/618595134.db2.gz QGFBXLLIAXNRIU-INIZCTEOSA-N 1 1 297.427 3.274 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](Cc3nccs3)C2)s1 ZINC000934330536 618595630 /nfs/dbraw/zinc/59/56/30/618595630.db2.gz OECHKYMARPAOTO-NSHDSACASA-N 1 1 289.429 3.141 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1[C@H](C)c1nc(-c2ccccc2)no1 ZINC000934473675 618628314 /nfs/dbraw/zinc/62/83/14/618628314.db2.gz ZXDSQMNYJVLRSS-OCCSQVGLSA-N 1 1 269.348 3.448 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1[C@H](C)c1nc(-c2ccccc2)no1 ZINC000934473675 618628319 /nfs/dbraw/zinc/62/83/19/618628319.db2.gz ZXDSQMNYJVLRSS-OCCSQVGLSA-N 1 1 269.348 3.448 20 30 CGEDMO C[C@H](CC/N=C\c1cc(Cl)cc(Cl)c1O)[NH+](C)C ZINC000849170840 618683981 /nfs/dbraw/zinc/68/39/81/618683981.db2.gz VWVVTZABPYPVJF-KYZBGHIMSA-N 1 1 289.206 3.458 20 30 CGEDMO C=C(C)CCc1noc([C@H]2CC[N@@H+]2C2CCCC2)n1 ZINC000924066479 618720130 /nfs/dbraw/zinc/72/01/30/618720130.db2.gz CVMLGLFZNCSPNE-CYBMUJFWSA-N 1 1 261.369 3.268 20 30 CGEDMO C=C(C)CCc1noc([C@H]2CC[N@H+]2C2CCCC2)n1 ZINC000924066479 618720135 /nfs/dbraw/zinc/72/01/35/618720135.db2.gz CVMLGLFZNCSPNE-CYBMUJFWSA-N 1 1 261.369 3.268 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CCn3cccc3[C@H]2C)cc1 ZINC000179567032 618796308 /nfs/dbraw/zinc/79/63/08/618796308.db2.gz PUCPLRIRXAOORO-MRXNPFEDSA-N 1 1 294.398 3.467 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CCn3cccc3[C@H]2C)cc1 ZINC000179567032 618796311 /nfs/dbraw/zinc/79/63/11/618796311.db2.gz PUCPLRIRXAOORO-MRXNPFEDSA-N 1 1 294.398 3.467 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccc(F)cc1O ZINC000062747682 618898833 /nfs/dbraw/zinc/89/88/33/618898833.db2.gz MXQXTZWLQDZRJU-NSHDSACASA-N 1 1 270.307 3.254 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC)o2)C1 ZINC001007665196 618918847 /nfs/dbraw/zinc/91/88/47/618918847.db2.gz JYDHUYJYEUUPND-AWEZNQCLSA-N 1 1 290.407 3.002 20 30 CGEDMO CCC[N@@H+](C)C[C@@H]1CCN(c2cc(C)cc(F)c2C#N)C1 ZINC000892721819 618924039 /nfs/dbraw/zinc/92/40/39/618924039.db2.gz QCVSDVXMZFEROB-AWEZNQCLSA-N 1 1 289.398 3.174 20 30 CGEDMO C#CCOCC[N@H+](C)[C@H](C)c1sc(C(C)C)nc1C ZINC000851869302 618929128 /nfs/dbraw/zinc/92/91/28/618929128.db2.gz ZXHMUFXOZQAKAV-CYBMUJFWSA-N 1 1 280.437 3.218 20 30 CGEDMO C=CC[C@@H]([NH2+]Cc1nccn1C1CC1)c1ccncc1 ZINC000892971878 618966844 /nfs/dbraw/zinc/96/68/44/618966844.db2.gz FKABDGUWQLXMHB-OAHLLOKOSA-N 1 1 268.364 3.020 20 30 CGEDMO N#CCCCNc1[nH+]ccc2c3c([nH]c21)CCCC3 ZINC000893127689 619001616 /nfs/dbraw/zinc/00/16/16/619001616.db2.gz JAOFEXJEESNNNC-UHFFFAOYSA-N 1 1 254.337 3.157 20 30 CGEDMO N#CC1CCC(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)CC1 ZINC000930528233 619010450 /nfs/dbraw/zinc/01/04/50/619010450.db2.gz WMIYPEJBVIRHNH-SSDMNJCBSA-N 1 1 292.814 3.113 20 30 CGEDMO N#CC[C@@H](O)C[N@@H+]1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000930652556 619046142 /nfs/dbraw/zinc/04/61/42/619046142.db2.gz LFOKTAICMLNEGG-CABCVRRESA-N 1 1 278.783 3.142 20 30 CGEDMO N#CC[C@@H](O)C[N@H+]1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000930652556 619046145 /nfs/dbraw/zinc/04/61/45/619046145.db2.gz LFOKTAICMLNEGG-CABCVRRESA-N 1 1 278.783 3.142 20 30 CGEDMO CC1(C)C[C@H]([NH3+])C[C@@H](NC2(c3cccc(C#N)c3)CC2)C1 ZINC000925632401 619098184 /nfs/dbraw/zinc/09/81/84/619098184.db2.gz BOGKTPSUGVWONJ-HZPDHXFCSA-N 1 1 283.419 3.043 20 30 CGEDMO C#CC1(O)CC[NH+]([C@@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000931143460 619116835 /nfs/dbraw/zinc/11/68/35/619116835.db2.gz JBIJMYRKSAGJPO-NSHDSACASA-N 1 1 281.758 3.000 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cc(Cl)cs2)C1 ZINC001008763208 619159114 /nfs/dbraw/zinc/15/91/14/619159114.db2.gz XWFKSNUPASTIJM-LBPRGKRZSA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001009152349 619168038 /nfs/dbraw/zinc/16/80/38/619168038.db2.gz KFNAAXDDADJXDK-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C)c2C)C1 ZINC001009385151 619174328 /nfs/dbraw/zinc/17/43/28/619174328.db2.gz RUIPAHFSPASKTC-MRXNPFEDSA-N 1 1 286.419 3.074 20 30 CGEDMO C[C@H](C#N)C[NH2+]Cc1cc(Cl)cc(Br)c1 ZINC000893544038 619215870 /nfs/dbraw/zinc/21/58/70/619215870.db2.gz INWLOYSZQSYVMU-MRVPVSSYSA-N 1 1 287.588 3.352 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)o1 ZINC000931910668 619269608 /nfs/dbraw/zinc/26/96/08/619269608.db2.gz RGVRYFPHUMWIPX-LLVKDONJSA-N 1 1 288.244 3.018 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)o1 ZINC000931910668 619269610 /nfs/dbraw/zinc/26/96/10/619269610.db2.gz RGVRYFPHUMWIPX-LLVKDONJSA-N 1 1 288.244 3.018 20 30 CGEDMO C=CCOCC[N@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000932190154 619308454 /nfs/dbraw/zinc/30/84/54/619308454.db2.gz LBOXAEJGRILALY-CYBMUJFWSA-N 1 1 292.448 3.014 20 30 CGEDMO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccns1 ZINC000925925721 619334200 /nfs/dbraw/zinc/33/42/00/619334200.db2.gz GDGGHVVQEWOJJU-LLVKDONJSA-N 1 1 269.373 3.355 20 30 CGEDMO Cc1n[nH]c(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c1C ZINC000893929828 619335055 /nfs/dbraw/zinc/33/50/55/619335055.db2.gz YDRZWYKPOQOHAQ-UHFFFAOYSA-N 1 1 280.375 3.063 20 30 CGEDMO Cc1n[nH]c(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c1C ZINC000893929828 619335057 /nfs/dbraw/zinc/33/50/57/619335057.db2.gz YDRZWYKPOQOHAQ-UHFFFAOYSA-N 1 1 280.375 3.063 20 30 CGEDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1csc(C#N)c1 ZINC000894412128 619525413 /nfs/dbraw/zinc/52/54/13/619525413.db2.gz HNSHSZBFXKZHNJ-OCCSQVGLSA-N 1 1 278.421 3.135 20 30 CGEDMO Cc1cc[nH+]c(N)c1CNc1ccc(OC(C)C)c(C#N)c1 ZINC000894424681 619531344 /nfs/dbraw/zinc/53/13/44/619531344.db2.gz LFAIPTSUYSMUML-UHFFFAOYSA-N 1 1 296.374 3.243 20 30 CGEDMO C[C@@H](C#N)C[NH2+]Cc1cc2ccnc(Cl)c2s1 ZINC000894453803 619541207 /nfs/dbraw/zinc/54/12/07/619541207.db2.gz YOAAJXOXLUKXBF-QMMMGPOBSA-N 1 1 265.769 3.199 20 30 CGEDMO C=CCCCCCCNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000894833379 619647413 /nfs/dbraw/zinc/64/74/13/619647413.db2.gz SURAPVXVJABVLE-JKSUJKDBSA-N 1 1 293.455 3.001 20 30 CGEDMO CC(C)(CC#N)C[NH2+]Cc1csc(C(F)(F)F)n1 ZINC000894855227 619654384 /nfs/dbraw/zinc/65/43/84/619654384.db2.gz JFJJQWDASOWICN-UHFFFAOYSA-N 1 1 277.315 3.191 20 30 CGEDMO CC(C)[C@@H]1[N@@H+](CC#Cc2ccccc2)CC12CCOCC2 ZINC000894919280 619682783 /nfs/dbraw/zinc/68/27/83/619682783.db2.gz HAOVMILCSOTLQM-SFHVURJKSA-N 1 1 283.415 3.175 20 30 CGEDMO C=CCOc1cccc(C[NH2+]Cc2cccnc2F)c1 ZINC000793282922 619713537 /nfs/dbraw/zinc/71/35/37/619713537.db2.gz AGAIVJBDDDWUTQ-UHFFFAOYSA-N 1 1 272.323 3.075 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2c(Cl)n[nH]c2C2CC2)C1 ZINC000895101848 619729760 /nfs/dbraw/zinc/72/97/60/619729760.db2.gz QDUUXYAOGLDZFS-NSHDSACASA-N 1 1 277.799 3.176 20 30 CGEDMO Cc1ncoc1C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000895187533 619774696 /nfs/dbraw/zinc/77/46/96/619774696.db2.gz HPFYKDUNKXMLKT-UHFFFAOYSA-N 1 1 267.332 3.024 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC000985259414 620145917 /nfs/dbraw/zinc/14/59/17/620145917.db2.gz SHHUZIYZRVFIOZ-UHFFFAOYSA-N 1 1 290.407 3.009 20 30 CGEDMO C#CC[N@@H+](Cc1cnc(-c2ccncc2)s1)C(C)C ZINC000897170555 620155324 /nfs/dbraw/zinc/15/53/24/620155324.db2.gz BFYHXXWRVUCKBW-UHFFFAOYSA-N 1 1 271.389 3.049 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)CCC2CCC2)CC1 ZINC000985363239 620177102 /nfs/dbraw/zinc/17/71/02/620177102.db2.gz UXQKBLKUSMPWRT-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H](O)c1ccccc1 ZINC000054272389 620180801 /nfs/dbraw/zinc/18/08/01/620180801.db2.gz OPJIDAVXYOLJQG-IBGZPJMESA-N 1 1 297.398 3.417 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)[C@H]2CCC=CCCC2)CC1 ZINC000985495450 620200318 /nfs/dbraw/zinc/20/03/18/620200318.db2.gz CSWXQTMZSBUQNS-INIZCTEOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)C[C@H]2CC=CCC2)CC1 ZINC000985574436 620214263 /nfs/dbraw/zinc/21/42/63/620214263.db2.gz JQPXOANVHRUFTK-INIZCTEOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)C(CC)(CC)CC)CC1 ZINC000985722777 620231841 /nfs/dbraw/zinc/23/18/41/620231841.db2.gz BHXWZADAWDBBRO-UHFFFAOYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@@]2(CC)C(C)C)CC1 ZINC000985724800 620232144 /nfs/dbraw/zinc/23/21/44/620232144.db2.gz LHPPOABYOKNZES-WMZOPIPTSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)[C@H]2CCCC[C@H]2CC)CC1 ZINC000985726208 620232534 /nfs/dbraw/zinc/23/25/34/620232534.db2.gz WXAPQDDMUPPYGM-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)C(C)(CC)CC)CC1 ZINC000985798919 620240070 /nfs/dbraw/zinc/24/00/70/620240070.db2.gz JJIWASOXFDWUOI-UHFFFAOYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)C2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000985811868 620241803 /nfs/dbraw/zinc/24/18/03/620241803.db2.gz VNDYBLNPTROLJK-HUUCEWRRSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1C[C@H](O)c1c(F)cccc1F ZINC000785997435 620393614 /nfs/dbraw/zinc/39/36/14/620393614.db2.gz OHBHGWOMKHDODY-FZMZJTMJSA-N 1 1 267.319 3.039 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1C[C@H](O)c1c(F)cccc1F ZINC000785997435 620393617 /nfs/dbraw/zinc/39/36/17/620393617.db2.gz OHBHGWOMKHDODY-FZMZJTMJSA-N 1 1 267.319 3.039 20 30 CGEDMO C=CCC[N@@H+](C)CN1C(=O)C[C@H]1c1ccc(Cl)cc1 ZINC000786102022 620394573 /nfs/dbraw/zinc/39/45/73/620394573.db2.gz LDSRBKKCIIWNBH-AWEZNQCLSA-N 1 1 278.783 3.079 20 30 CGEDMO C=CCC[N@H+](C)CN1C(=O)C[C@H]1c1ccc(Cl)cc1 ZINC000786102022 620394574 /nfs/dbraw/zinc/39/45/74/620394574.db2.gz LDSRBKKCIIWNBH-AWEZNQCLSA-N 1 1 278.783 3.079 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCCCC2(C)C)CC1 ZINC000989763529 620523392 /nfs/dbraw/zinc/52/33/92/620523392.db2.gz PIFPHJMHTVAIKU-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)[C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000989754612 620524453 /nfs/dbraw/zinc/52/44/53/620524453.db2.gz TXPQOSSCHAIJPH-FVQHAEBGSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CC=CCC3)CCC[C@H]12 ZINC000989945690 620533379 /nfs/dbraw/zinc/53/33/79/620533379.db2.gz PFXBSAURKLXPGF-XYJFISCASA-N 1 1 288.435 3.032 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](CCCC)Cc1ccccc1O ZINC000801599462 620564057 /nfs/dbraw/zinc/56/40/57/620564057.db2.gz OWNSSUNWRVJBHV-MRXNPFEDSA-N 1 1 277.408 3.321 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000898516020 620594964 /nfs/dbraw/zinc/59/49/64/620594964.db2.gz KHMICLPPUHLRMJ-CABCVRRESA-N 1 1 290.432 3.258 20 30 CGEDMO CC#CC[NH2+]Cc1cc(-c2ccccc2OC(C)C)no1 ZINC000901398170 620875333 /nfs/dbraw/zinc/87/53/33/620875333.db2.gz KZINCBFWXUUGLQ-UHFFFAOYSA-N 1 1 284.359 3.242 20 30 CGEDMO C=CCc1ccccc1OCCCc1c[nH+]cn1C ZINC000902163586 621169437 /nfs/dbraw/zinc/16/94/37/621169437.db2.gz WCRQQYHSLNZLAN-UHFFFAOYSA-N 1 1 256.349 3.160 20 30 CGEDMO CC[C@H](NCC(C)(C)C[NH+](C)C)c1cccc(C#N)c1 ZINC000902720712 621409165 /nfs/dbraw/zinc/40/91/65/621409165.db2.gz NDCVOGRXYDZNDT-INIZCTEOSA-N 1 1 273.424 3.187 20 30 CGEDMO CC[C@H]([NH2+]CC(C)(C)CN(C)C)c1cccc(C#N)c1 ZINC000902720712 621409174 /nfs/dbraw/zinc/40/91/74/621409174.db2.gz NDCVOGRXYDZNDT-INIZCTEOSA-N 1 1 273.424 3.187 20 30 CGEDMO CC(C)n1cc([C@@H](C)[NH2+][C@@H](C)c2cc(C#N)ccn2)cn1 ZINC000902801854 621441085 /nfs/dbraw/zinc/44/10/85/621441085.db2.gz FYGXKQHJDLLYIF-OLZOCXBDSA-N 1 1 283.379 3.142 20 30 CGEDMO C[C@@H]([NH2+][C@H]1CSc2ccccc21)c1cc(C#N)ccn1 ZINC000902809252 621442229 /nfs/dbraw/zinc/44/22/29/621442229.db2.gz RAPSVFAKSUUWIT-ABAIWWIYSA-N 1 1 281.384 3.451 20 30 CGEDMO CC[C@H]([NH2+][C@@H](C)c1ccn(C)n1)c1cccc(C#N)c1 ZINC000903017843 621521038 /nfs/dbraw/zinc/52/10/38/621521038.db2.gz SSOLYGQLIKLGSU-WFASDCNBSA-N 1 1 268.364 3.094 20 30 CGEDMO CC[C@@H]([NH2+]Cc1nnc(C(C)C)[nH]1)c1cccc(C#N)c1 ZINC000903004606 621529127 /nfs/dbraw/zinc/52/91/27/621529127.db2.gz GCOZCWNYAIIAMY-CQSZACIVSA-N 1 1 283.379 3.041 20 30 CGEDMO CC[C@H]([NH2+]Cc1nccn1CC)c1cccc(C#N)c1 ZINC000903006679 621530537 /nfs/dbraw/zinc/53/05/37/621530537.db2.gz LZNIMOIIKVCPHO-HNNXBMFYSA-N 1 1 268.364 3.016 20 30 CGEDMO N#CC1(C[NH2+][C@H]2CCCc3ccc(O)cc32)CCC1 ZINC000903032273 621535354 /nfs/dbraw/zinc/53/53/54/621535354.db2.gz IFQYQGSDSDIPRO-HNNXBMFYSA-N 1 1 256.349 3.053 20 30 CGEDMO N#CC1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000903032649 621536368 /nfs/dbraw/zinc/53/63/68/621536368.db2.gz LBGOPJQDDIKZJU-OAHLLOKOSA-N 1 1 285.347 3.256 20 30 CGEDMO C[C@@H]([NH2+]CC(C)(C)C#N)c1ccc(C(F)F)nc1 ZINC000903101643 621574548 /nfs/dbraw/zinc/57/45/48/621574548.db2.gz KGQWLUVHWPCLSV-SECBINFHSA-N 1 1 253.296 3.220 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CC1)c1cc(-c2ccccc2)nn1C ZINC000903105930 621577928 /nfs/dbraw/zinc/57/79/28/621577928.db2.gz IWTNPASBNBUJBO-ZDUSSCGKSA-N 1 1 280.375 3.041 20 30 CGEDMO C=CCC[C@@H](CC)[NH2+][C@@H](CCN(C)C)c1cccnc1 ZINC000903382174 621723697 /nfs/dbraw/zinc/72/36/97/621723697.db2.gz DAFKEXGKCIVVIC-SJORKVTESA-N 1 1 275.440 3.409 20 30 CGEDMO Cc1ccc2c(c1)CC[N@H+](CCOc1ccc(C#N)cc1)C2 ZINC000484015966 621768770 /nfs/dbraw/zinc/76/87/70/621768770.db2.gz LXCWWZYSWNEOOK-UHFFFAOYSA-N 1 1 292.382 3.304 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(Cc2ccc(F)cc2F)no1 ZINC000904552437 621933538 /nfs/dbraw/zinc/93/35/38/621933538.db2.gz CEGQRXSFPCYINK-CYBMUJFWSA-N 1 1 293.317 3.295 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(Cc2cc(F)cc(F)c2)no1 ZINC000904553107 621933609 /nfs/dbraw/zinc/93/36/09/621933609.db2.gz WCOGEWZEZKXCLB-ZDUSSCGKSA-N 1 1 293.317 3.295 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc([C@H]2CCC(F)(F)C2)no1 ZINC000904713296 621960563 /nfs/dbraw/zinc/96/05/63/621960563.db2.gz TVFIDKMLJYSSDN-VHSXEESVSA-N 1 1 271.311 3.329 20 30 CGEDMO Cc1cc[nH+]c(NCc2c(C)cc(C#N)cc2C)c1 ZINC000905407052 622067920 /nfs/dbraw/zinc/06/79/20/622067920.db2.gz TWQPUPNGDFQHGK-UHFFFAOYSA-N 1 1 251.333 3.491 20 30 CGEDMO C=CCC[C@@H]([NH2+]Cc1cn(C2CC2)nn1)c1ccccc1 ZINC000906285316 622207761 /nfs/dbraw/zinc/20/77/61/622207761.db2.gz FJAQDXZKUKKTHA-QGZVFWFLSA-N 1 1 282.391 3.410 20 30 CGEDMO C[N@H+]1CCCC[C@@H]1CCn1ccc(-c2ccc(C#N)cc2)n1 ZINC000906500828 622244757 /nfs/dbraw/zinc/24/47/57/622244757.db2.gz OCVFGUKRUWYTCE-QGZVFWFLSA-N 1 1 294.402 3.296 20 30 CGEDMO COc1cc(C[N@H+](C)[C@H](C)CC#N)c(O)c(C(C)(C)C)c1 ZINC000164291638 622827516 /nfs/dbraw/zinc/82/75/16/622827516.db2.gz OQLNWDFJYPXLJD-GFCCVEGCSA-N 1 1 290.407 3.432 20 30 CGEDMO COc1cc(C[N@@H+](C)[C@H](C)CC#N)c(O)c(C(C)(C)C)c1 ZINC000164291638 622827520 /nfs/dbraw/zinc/82/75/20/622827520.db2.gz OQLNWDFJYPXLJD-GFCCVEGCSA-N 1 1 290.407 3.432 20 30 CGEDMO N#CCC[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000226403641 622967695 /nfs/dbraw/zinc/96/76/95/622967695.db2.gz RTPQNXVRIOOLET-UHFFFAOYSA-N 1 1 273.561 3.106 20 30 CGEDMO CCCCCCC[C@H](C)[NH2+]CC(C)(C)N1CCN(C)CC1 ZINC000059090383 622991591 /nfs/dbraw/zinc/99/15/91/622991591.db2.gz WIPWKEQNQYJGMJ-KRWDZBQOSA-N 1 1 297.531 3.351 20 30 CGEDMO C#CCOc1ccc(C[NH2+]Cc2ncc(CC)s2)cc1 ZINC000174626349 623421465 /nfs/dbraw/zinc/42/14/65/623421465.db2.gz WLHYZHCCXJUWLD-UHFFFAOYSA-N 1 1 286.400 3.007 20 30 CGEDMO C=C1CCC(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CCC)CC3)CC1 ZINC000992156100 623453543 /nfs/dbraw/zinc/45/35/43/623453543.db2.gz VENHXYJYCOIZQQ-SJLPKXTDSA-N 1 1 290.451 3.256 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1cccc(C2CC2)c1 ZINC000827827422 623471802 /nfs/dbraw/zinc/47/18/02/623471802.db2.gz UQYXWVBKFQGNCZ-UHFFFAOYSA-N 1 1 257.377 3.036 20 30 CGEDMO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1cncc(C#N)c1 ZINC000929676284 623503571 /nfs/dbraw/zinc/50/35/71/623503571.db2.gz MZPBESAZWPUPRP-GUYCJALGSA-N 1 1 295.361 3.470 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2c(Cl)n[nH]c2C2CC2)cc1 ZINC000921543046 625658936 /nfs/dbraw/zinc/65/89/36/625658936.db2.gz KEUZTYUGCAKUNH-UHFFFAOYSA-N 1 1 286.766 3.102 20 30 CGEDMO CCc1cnc(C[N@@H+](C)CC2CCC(C#N)CC2)s1 ZINC000929773830 623626489 /nfs/dbraw/zinc/62/64/89/623626489.db2.gz JAQOQWMPDAXQPX-UHFFFAOYSA-N 1 1 277.437 3.467 20 30 CGEDMO CCN1CCC([N@H+](C)Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000929778572 623630346 /nfs/dbraw/zinc/63/03/46/623630346.db2.gz JADCLSBPWTUOSC-UHFFFAOYSA-N 1 1 291.826 3.128 20 30 CGEDMO CCN1CCC([N@@H+](C)Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000929778572 623630351 /nfs/dbraw/zinc/63/03/51/623630351.db2.gz JADCLSBPWTUOSC-UHFFFAOYSA-N 1 1 291.826 3.128 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)CC2CCCCC2)[C@H]1C ZINC000993007957 623783922 /nfs/dbraw/zinc/78/39/22/623783922.db2.gz ZVCDUQDHCIFPTE-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2ccoc2C)[C@H]1C ZINC000993031982 623797395 /nfs/dbraw/zinc/79/73/95/623797395.db2.gz HDWFZRFFVKCNGL-CJNGLKHVSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)oc2C)[C@@H]1C ZINC000993053176 623807171 /nfs/dbraw/zinc/80/71/71/623807171.db2.gz VDHCRVUPDKLICC-XJKSGUPXSA-N 1 1 290.407 3.055 20 30 CGEDMO CC#CCC[N@H+]1CCCC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000764955401 623971733 /nfs/dbraw/zinc/97/17/33/623971733.db2.gz YWYMDZPCKLPEOO-CABCVRRESA-N 1 1 294.439 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2c(C)coc2C)[C@H]1C ZINC000993278548 623997823 /nfs/dbraw/zinc/99/78/23/623997823.db2.gz JIKCCROAXGIVGI-UKRRQHHQSA-N 1 1 290.407 3.055 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C2=CCCCCC2)[C@@H]1C ZINC000993290993 623999467 /nfs/dbraw/zinc/99/94/67/623999467.db2.gz BYUZBCHWKOSDAS-RDJZCZTQSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C2=CCCCCC2)[C@@H]1C ZINC000993303487 624002359 /nfs/dbraw/zinc/00/23/59/624002359.db2.gz PYORQFLJNZCUJB-RDJZCZTQSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)[C@@H](C)OC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000756016518 625691630 /nfs/dbraw/zinc/69/16/30/625691630.db2.gz TYMQLLJHWCKPKE-GDBMZVCRSA-N 1 1 273.376 3.159 20 30 CGEDMO C=C(C)[C@@H](C)OC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000756016518 625691637 /nfs/dbraw/zinc/69/16/37/625691637.db2.gz TYMQLLJHWCKPKE-GDBMZVCRSA-N 1 1 273.376 3.159 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C2(C3CC3)CC2)[C@H]1C ZINC000993471442 624051364 /nfs/dbraw/zinc/05/13/64/624051364.db2.gz CYXKLRBCUGETSO-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C23CCC(CC2)C3)[C@H]1C ZINC000993490017 624053572 /nfs/dbraw/zinc/05/35/72/624053572.db2.gz TWOCOSVITOIWDB-CTMQZQKCSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C2CC2)[C@H]1C ZINC000993713185 624058547 /nfs/dbraw/zinc/05/85/47/624058547.db2.gz CEIHUBRSLZEMDA-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2occc2Cl)[C@H]1C ZINC000993777619 624062471 /nfs/dbraw/zinc/06/24/71/624062471.db2.gz QXRJAEWXNIMRFR-DGCLKSJQSA-N 1 1 296.798 3.092 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](CC3CCC3)[C@H]2C)C1 ZINC000993786578 624063942 /nfs/dbraw/zinc/06/39/42/624063942.db2.gz GOZBBRONCDHLMV-GOEBONIOSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2csc(Cl)c2)[C@H]1C ZINC000993937133 624065815 /nfs/dbraw/zinc/06/58/15/624065815.db2.gz GUMPEBHSTWDSRG-PWSUYJOCSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C2CCC(C)(C)CC2)[C@@H]1C ZINC000994498446 624242278 /nfs/dbraw/zinc/24/22/78/624242278.db2.gz TXXVVAJZBHWNPB-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccnn1CC1CCC1 ZINC000925438129 624266174 /nfs/dbraw/zinc/26/61/74/624266174.db2.gz UUJQUJNVSBRNAM-NSHDSACASA-N 1 1 253.777 3.086 20 30 CGEDMO C#CC[N@H+](C)Cc1cc(C)c(OCC(F)(F)F)c(C)c1 ZINC000917417519 624268919 /nfs/dbraw/zinc/26/89/19/624268919.db2.gz JVQULWRRLRIDDH-UHFFFAOYSA-N 1 1 285.309 3.310 20 30 CGEDMO COc1ccc(C[N@@H+](C)Cc2c(C)cc(C#N)cc2C)cn1 ZINC000930069044 624401547 /nfs/dbraw/zinc/40/15/47/624401547.db2.gz HIXIFDIESBJKKM-UHFFFAOYSA-N 1 1 295.386 3.211 20 30 CGEDMO CN(C)c1ccc(C=[NH+]Nc2cccc(F)c2)cc1 ZINC000920383319 624486118 /nfs/dbraw/zinc/48/61/18/624486118.db2.gz DQHVAUITELDEIX-UHFFFAOYSA-N 1 1 257.312 3.338 20 30 CGEDMO C#CCCOc1ccc(C[N@H+](C(C)C)C2CC2)cc1 ZINC000179485225 624660010 /nfs/dbraw/zinc/66/00/10/624660010.db2.gz DCGWJEPHWWGYHX-UHFFFAOYSA-N 1 1 257.377 3.462 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCn3cccc3[C@H]2C)cc1 ZINC000179567061 624666410 /nfs/dbraw/zinc/66/64/10/624666410.db2.gz AOMWHPHZKKUFBP-OAHLLOKOSA-N 1 1 280.371 3.077 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCn3cccc3[C@H]2C)cc1 ZINC000179567061 624666416 /nfs/dbraw/zinc/66/64/16/624666416.db2.gz AOMWHPHZKKUFBP-OAHLLOKOSA-N 1 1 280.371 3.077 20 30 CGEDMO Cc1cnc(CO[NH+]=C(N)C2CCCCCC2)s1 ZINC000179928353 624699924 /nfs/dbraw/zinc/69/99/24/624699924.db2.gz TYXHJTUGOFEOJS-UHFFFAOYSA-N 1 1 267.398 3.211 20 30 CGEDMO Cc1csc([C@@H](C)[NH2+]Cc2cccc(C#N)c2)n1 ZINC000069168371 624801568 /nfs/dbraw/zinc/80/15/68/624801568.db2.gz VUIWRBIPZYQFCY-LLVKDONJSA-N 1 1 257.362 3.174 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cc(=O)oc2cc(O)c(CC)cc12 ZINC000181283395 624841051 /nfs/dbraw/zinc/84/10/51/624841051.db2.gz IHOVGUDLDXSVMH-UHFFFAOYSA-N 1 1 287.359 3.069 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@@H+](C)CC(=C)C)c1O ZINC000182614489 625020614 /nfs/dbraw/zinc/02/06/14/625020614.db2.gz LDKXPCMDCHBQMH-UHFFFAOYSA-N 1 1 261.365 3.137 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(CC)C(=O)C2CCCC2)CC1 ZINC000997901052 625765649 /nfs/dbraw/zinc/76/56/49/625765649.db2.gz QMUSEHIUCHWUPO-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC23CC3)CC1 ZINC000998143932 625792151 /nfs/dbraw/zinc/79/21/51/625792151.db2.gz QUWDNMYVUMTUQU-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[C@@H](C)C2)CC1 ZINC001001103832 625889483 /nfs/dbraw/zinc/88/94/83/625889483.db2.gz BZJSHPGTCBOLFV-WBVHZDCISA-N 1 1 290.451 3.137 20 30 CGEDMO C=Cc1ccc(C(=O)NCC2=CC[N@@H+](CC(=C)C)CC2)cc1 ZINC001001188667 625893665 /nfs/dbraw/zinc/89/36/65/625893665.db2.gz VRPRNTPHEFJPSC-UHFFFAOYSA-N 1 1 296.414 3.268 20 30 CGEDMO COCC[C@@H]([NH2+]Cc1csc(C#N)c1)c1ccc(C)o1 ZINC000921973169 625950322 /nfs/dbraw/zinc/95/03/22/625950322.db2.gz FRMAZHXZAZNAON-CQSZACIVSA-N 1 1 290.388 3.389 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)c2cc(C)cs2)CC1 ZINC001002753679 625953372 /nfs/dbraw/zinc/95/33/72/625953372.db2.gz LJUNNGFZPILGKU-UHFFFAOYSA-N 1 1 298.839 3.003 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](C)CC)CC1 ZINC001004335644 626040048 /nfs/dbraw/zinc/04/00/48/626040048.db2.gz DAUHEJHKWGILIA-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C(F)=C(C)C)CC1 ZINC001004399626 626047469 /nfs/dbraw/zinc/04/74/69/626047469.db2.gz IYMNVXQMDAQJHG-HNNXBMFYSA-N 1 1 294.414 3.139 20 30 CGEDMO N#Cc1cc(C[NH2+][C@@H]2CCCc3cccnc32)cs1 ZINC000922877004 626060849 /nfs/dbraw/zinc/06/08/49/626060849.db2.gz AHZHTRXURJJMBN-CQSZACIVSA-N 1 1 269.373 3.182 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)CC)CC1 ZINC001004522931 626065043 /nfs/dbraw/zinc/06/50/43/626065043.db2.gz MUMYVGVIEZHNGI-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H](C)C2CCC2)CC1 ZINC001005568229 626092175 /nfs/dbraw/zinc/09/21/75/626092175.db2.gz DQDGOBFAVXTHPO-CYBMUJFWSA-N 1 1 298.858 3.098 20 30 CGEDMO CCCCCC[N@H+](C)CC(=O)O[C@@H]1CCCC[C@H]1C#N ZINC000839085109 626311552 /nfs/dbraw/zinc/31/15/52/626311552.db2.gz WNPIWGIHROFSLF-LSDHHAIUSA-N 1 1 280.412 3.124 20 30 CGEDMO CCCCCC[N@@H+](C)CC(=O)O[C@@H]1CCCC[C@H]1C#N ZINC000839085109 626311555 /nfs/dbraw/zinc/31/15/55/626311555.db2.gz WNPIWGIHROFSLF-LSDHHAIUSA-N 1 1 280.412 3.124 20 30 CGEDMO C=CCNC(=S)Nc1ccc2c(c1)C[N@@H+](CCCC)C2 ZINC000751020215 626374248 /nfs/dbraw/zinc/37/42/48/626374248.db2.gz LZLPGKXROWAPGR-UHFFFAOYSA-N 1 1 289.448 3.275 20 30 CGEDMO C=C(Br)C[N@@H+](C)[C@H]1C[C@](C)(OC)C1(C)C ZINC000752074518 626417774 /nfs/dbraw/zinc/41/77/74/626417774.db2.gz DZWXOYNKCWXYMI-JQWIXIFHSA-N 1 1 276.218 3.030 20 30 CGEDMO C=C(Br)C[N@H+](C)[C@H]1C[C@](C)(OC)C1(C)C ZINC000752074518 626417775 /nfs/dbraw/zinc/41/77/75/626417775.db2.gz DZWXOYNKCWXYMI-JQWIXIFHSA-N 1 1 276.218 3.030 20 30 CGEDMO CCCCCCCCC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000753710913 626462959 /nfs/dbraw/zinc/46/29/59/626462959.db2.gz ZVIQWMDZJAFDCV-LSDHHAIUSA-N 1 1 280.456 3.478 20 30 CGEDMO C#Cc1ccc(C[NH2+]Cc2c(F)cccc2F)cc1 ZINC000809627475 626465269 /nfs/dbraw/zinc/46/52/69/626465269.db2.gz VVLRCFMSQFAJPX-UHFFFAOYSA-N 1 1 257.283 3.236 20 30 CGEDMO COc1ccc(C[N@H+](CCC#N)CC2CC2)c(C)c1 ZINC000753861824 626468109 /nfs/dbraw/zinc/46/81/09/626468109.db2.gz HYTYAVJDHAWYFY-UHFFFAOYSA-N 1 1 258.365 3.129 20 30 CGEDMO COc1ccc(C[N@@H+](CCC#N)CC2CC2)c(C)c1 ZINC000753861824 626468110 /nfs/dbraw/zinc/46/81/10/626468110.db2.gz HYTYAVJDHAWYFY-UHFFFAOYSA-N 1 1 258.365 3.129 20 30 CGEDMO CC(C)[N@@H+]1CC(N=Nc2cccc3ncccc23)[C@H](C)C1 ZINC000754257338 626565232 /nfs/dbraw/zinc/56/52/32/626565232.db2.gz HVUPMHWFXHPHJT-CYBMUJFWSA-N 1 1 282.391 3.363 20 30 CGEDMO CCCCCCCCNC(=O)NC[C@@H]1CCC[N@@H+](CC)C1 ZINC000754863306 626591047 /nfs/dbraw/zinc/59/10/47/626591047.db2.gz AZBPOTBFPJQIAN-INIZCTEOSA-N 1 1 297.487 3.378 20 30 CGEDMO C[C@H]1C[N@H+](C2CC2)CC1N=Nc1ccc2ccccc2n1 ZINC000755872712 626655186 /nfs/dbraw/zinc/65/51/86/626655186.db2.gz SDJDMHMJPAKHHH-LBPRGKRZSA-N 1 1 280.375 3.117 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H](c1ccccc1)C(C)C ZINC000756542330 626714011 /nfs/dbraw/zinc/71/40/11/626714011.db2.gz LFLQPDDNGVXTLN-QZTJIDSGSA-N 1 1 299.414 3.067 20 30 CGEDMO COc1cccc(O)c1/C=N\[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000756841237 626736719 /nfs/dbraw/zinc/73/67/19/626736719.db2.gz TWKCGNAFEVVJCQ-DZGUVLCISA-N 1 1 296.370 3.006 20 30 CGEDMO COc1cccc(O)c1/C=N\[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000756841237 626736720 /nfs/dbraw/zinc/73/67/20/626736720.db2.gz TWKCGNAFEVVJCQ-DZGUVLCISA-N 1 1 296.370 3.006 20 30 CGEDMO CCCCCCCC[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000756896550 626739769 /nfs/dbraw/zinc/73/97/69/626739769.db2.gz LCBDEOIFBFHCBG-HZPDHXFCSA-N 1 1 269.429 3.227 20 30 CGEDMO C=C(Cl)C[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000839547163 626761514 /nfs/dbraw/zinc/76/15/14/626761514.db2.gz DLVCTMAEHDBXGN-LLVKDONJSA-N 1 1 279.689 3.081 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)[C@H](O)c1ccccc1 ZINC000839607442 626765389 /nfs/dbraw/zinc/76/53/89/626765389.db2.gz XZAXARPVHPQYPK-OCCSQVGLSA-N 1 1 253.773 3.183 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)[C@H](O)c1ccccc1 ZINC000839607442 626765392 /nfs/dbraw/zinc/76/53/92/626765392.db2.gz XZAXARPVHPQYPK-OCCSQVGLSA-N 1 1 253.773 3.183 20 30 CGEDMO CC[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C1CC(C)(C)C1 ZINC000839662962 626772444 /nfs/dbraw/zinc/77/24/44/626772444.db2.gz AIXIDGSAXHNIDR-INIZCTEOSA-N 1 1 272.392 3.102 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CC[C@@H](CC(C)(C)C)C1(C)C ZINC000839667743 626773792 /nfs/dbraw/zinc/77/37/92/626773792.db2.gz ZAXOHLUBYNJFEW-KGLIPLIRSA-N 1 1 266.429 3.452 20 30 CGEDMO C=CC[N@H+](Cc1cc(Br)ccc1O)C1CC1 ZINC000757924247 626814959 /nfs/dbraw/zinc/81/49/59/626814959.db2.gz ZPZIJVIWLBAPFP-UHFFFAOYSA-N 1 1 282.181 3.305 20 30 CGEDMO C[N@H+]1CCCC(N=Nc2ccc(Br)cc2)CC1 ZINC000758098576 626826934 /nfs/dbraw/zinc/82/69/34/626826934.db2.gz SFTHTURJCBQPSQ-UHFFFAOYSA-N 1 1 296.212 3.333 20 30 CGEDMO C[N@H+]1CCCC(N=Nc2cccc(Cl)c2F)CC1 ZINC000758115481 626827946 /nfs/dbraw/zinc/82/79/46/626827946.db2.gz DXZWYVOLYUZHBS-UHFFFAOYSA-N 1 1 269.751 3.363 20 30 CGEDMO C[N@H+]1CCCC(N=Nc2ccc(Cl)c(F)c2)CC1 ZINC000758117126 626828006 /nfs/dbraw/zinc/82/80/06/626828006.db2.gz JXNWHDAOEDMGRH-UHFFFAOYSA-N 1 1 269.751 3.363 20 30 CGEDMO C#CCOc1ccccc1C[NH2+]Cc1ccc(OC)cc1F ZINC000758485718 626845906 /nfs/dbraw/zinc/84/59/06/626845906.db2.gz CVHNJXZFPBPPJL-UHFFFAOYSA-N 1 1 299.345 3.136 20 30 CGEDMO CCN(CC)c1ccc(C=[NH+]OCC(F)F)cc1F ZINC000758911359 626866154 /nfs/dbraw/zinc/86/61/54/626866154.db2.gz NGTAVZJNDRJWEO-UHFFFAOYSA-N 1 1 274.286 3.288 20 30 CGEDMO Cc1ccc(C)c(C[N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)c1 ZINC000759628993 626910245 /nfs/dbraw/zinc/91/02/45/626910245.db2.gz RYRGSMZYQABCOV-IBGZPJMESA-N 1 1 294.398 3.341 20 30 CGEDMO CC1(C#N)CC[NH+](C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759864264 626927740 /nfs/dbraw/zinc/92/77/40/626927740.db2.gz GEXGAXBKWBTNQA-AWEZNQCLSA-N 1 1 296.773 3.138 20 30 CGEDMO C=C(Br)C[NH2+]Cc1cc2cc(OC)ccc2o1 ZINC000125006911 634545272 /nfs/dbraw/zinc/54/52/72/634545272.db2.gz XQQCYWKISBSMPM-UHFFFAOYSA-N 1 1 296.164 3.440 20 30 CGEDMO C[C@H]1CC(N=Nc2cccc3ccccc32)C[N@H+]1C ZINC000761812329 627062589 /nfs/dbraw/zinc/06/25/89/627062589.db2.gz NOVAVYWMDZZUCY-LBPRGKRZSA-N 1 1 253.349 3.332 20 30 CGEDMO N#Cc1ccc(-c2ccn(C[N@H+]3CC[C@H](C4CC4)C3)n2)cc1 ZINC000763332479 627151971 /nfs/dbraw/zinc/15/19/71/627151971.db2.gz NXDJHSJWFJAHAG-KRWDZBQOSA-N 1 1 292.386 3.111 20 30 CGEDMO C#CC[N@H+](Cc1cc(OC)cc(C(C)(C)C)c1O)C1CC1 ZINC000763383707 627154994 /nfs/dbraw/zinc/15/49/94/627154994.db2.gz NIGQVDHVOFHRCD-UHFFFAOYSA-N 1 1 287.403 3.296 20 30 CGEDMO CCCCCCCCC(=O)N1CC[N@@H+](C)CC1(C)C ZINC000766612866 627347484 /nfs/dbraw/zinc/34/74/84/627347484.db2.gz FNRZNBNRDDBEHW-UHFFFAOYSA-N 1 1 268.445 3.290 20 30 CGEDMO C#CCCC[N@H+]1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000767496562 627411365 /nfs/dbraw/zinc/41/13/65/627411365.db2.gz PVJLJRLKSFGXMN-HNNXBMFYSA-N 1 1 280.375 3.022 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)OCC[C@H]1CCCC[N@H+]1C ZINC000767697790 627430552 /nfs/dbraw/zinc/43/05/52/627430552.db2.gz WMPQNZWVBIDNIS-ZIAGYGMSSA-N 1 1 253.386 3.006 20 30 CGEDMO C#CCOc1ccc(C[N@H+](C)Cc2cccc(F)c2)cc1 ZINC000768160853 627464180 /nfs/dbraw/zinc/46/41/80/627464180.db2.gz TURBAMUZAOHAJT-UHFFFAOYSA-N 1 1 283.346 3.470 20 30 CGEDMO C#CCOc1ccc(C[N@@H+](CCC#N)CC(C)C)cc1 ZINC000768153876 627464511 /nfs/dbraw/zinc/46/45/11/627464511.db2.gz NVZXEPLVLAGWRY-UHFFFAOYSA-N 1 1 270.376 3.070 20 30 CGEDMO C#CCOc1ccc(C[N@H+](CCC#N)CC(C)C)cc1 ZINC000768153876 627464515 /nfs/dbraw/zinc/46/45/15/627464515.db2.gz NVZXEPLVLAGWRY-UHFFFAOYSA-N 1 1 270.376 3.070 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2c(c1)COC2 ZINC000768263004 627471772 /nfs/dbraw/zinc/47/17/72/627471772.db2.gz NQIUASGRFJXPIN-UHFFFAOYSA-N 1 1 278.355 3.220 20 30 CGEDMO C[C@@H]1CCC[C@H](C=[NH+]n2cc(Br)cn2)C1 ZINC000768367403 627476566 /nfs/dbraw/zinc/47/65/66/627476566.db2.gz QAFDQFIGFMOWGB-ZJUUUORDSA-N 1 1 270.174 3.306 20 30 CGEDMO C[N@@H+](CCc1ccccc1F)Cc1ccc(C#N)s1 ZINC000769022851 627517881 /nfs/dbraw/zinc/51/78/81/627517881.db2.gz VZJWPOJQLNWJBO-UHFFFAOYSA-N 1 1 274.364 3.433 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000769111413 627523101 /nfs/dbraw/zinc/52/31/01/627523101.db2.gz OHVFCANZEIXKFH-UHFFFAOYSA-N 1 1 260.337 3.173 20 30 CGEDMO C#CC[N@H+](Cc1c(CC)nn(C)c1CC)C1CCCCC1 ZINC000769145092 627525047 /nfs/dbraw/zinc/52/50/47/627525047.db2.gz BBCJHEHOHYNPTQ-UHFFFAOYSA-N 1 1 287.451 3.313 20 30 CGEDMO C#CC[N@@H+](Cc1cc(C#N)cs1)C1CCCCC1 ZINC000769146413 627526055 /nfs/dbraw/zinc/52/60/55/627526055.db2.gz XAKRTOMLLYFVHI-UHFFFAOYSA-N 1 1 258.390 3.388 20 30 CGEDMO CCCCCC(CCCCC)N=NC1=[NH+]CCN1 ZINC000841658443 635208953 /nfs/dbraw/zinc/20/89/53/635208953.db2.gz APXXWPZSGUAKJR-UHFFFAOYSA-N 1 1 252.406 3.052 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000769389747 627547874 /nfs/dbraw/zinc/54/78/74/627547874.db2.gz QFFCQIHLIMMLJC-MRXNPFEDSA-N 1 1 281.355 3.281 20 30 CGEDMO C#CC[N@H+](Cc1cnc2cccc(C)n12)C1CCCC1 ZINC000769529373 627563131 /nfs/dbraw/zinc/56/31/31/627563131.db2.gz ABTSNADQGCMCRN-UHFFFAOYSA-N 1 1 267.376 3.021 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(F)c(Br)c1 ZINC000769977331 627593645 /nfs/dbraw/zinc/59/36/45/627593645.db2.gz GLUSITXGINUDIT-VIFPVBQESA-N 1 1 270.145 3.042 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CC[C@H](CC)C2)cc1 ZINC000770305741 627612725 /nfs/dbraw/zinc/61/27/25/627612725.db2.gz SINAGVBHHIGVAE-HNNXBMFYSA-N 1 1 257.377 3.321 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3ccoc3)CC2)cc1 ZINC000770381464 627616478 /nfs/dbraw/zinc/61/64/78/627616478.db2.gz ROTKVTWRYQRHGN-UHFFFAOYSA-N 1 1 264.328 3.441 20 30 CGEDMO C#CC[N@H+](Cc1ccc(F)cc1)[C@H](C)c1ccncc1 ZINC000771808388 627733027 /nfs/dbraw/zinc/73/30/27/627733027.db2.gz XTKQCUQXBZTZPF-CQSZACIVSA-N 1 1 268.335 3.417 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H](C)c1ccncc1 ZINC000771808388 627733031 /nfs/dbraw/zinc/73/30/31/627733031.db2.gz XTKQCUQXBZTZPF-CQSZACIVSA-N 1 1 268.335 3.417 20 30 CGEDMO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1cncs1 ZINC000773029511 627843746 /nfs/dbraw/zinc/84/37/46/627843746.db2.gz GJLJWEFMTYMOFE-VIFPVBQESA-N 1 1 261.325 3.005 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1cccc(OC2CCCC2)c1 ZINC000775183025 628069802 /nfs/dbraw/zinc/06/98/02/628069802.db2.gz GHEHDSSTPAVCBP-AWEZNQCLSA-N 1 1 257.377 3.462 20 30 CGEDMO C=C(C)CC[N@@H+](C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000775639223 628118170 /nfs/dbraw/zinc/11/81/70/628118170.db2.gz OIBRIAXPHPXRMU-OAHLLOKOSA-N 1 1 294.439 3.426 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CC1)c1ccc(Cl)c(F)c1 ZINC000776009633 628157633 /nfs/dbraw/zinc/15/76/33/628157633.db2.gz YSLWWYBSJZVTSP-VIFPVBQESA-N 1 1 252.720 3.433 20 30 CGEDMO C=CC[N@@H+](C)Cn1nccc1-c1ccc(F)c(Cl)c1 ZINC000777543654 628280779 /nfs/dbraw/zinc/28/07/79/628280779.db2.gz FISBHFOFTOGDEY-UHFFFAOYSA-N 1 1 279.746 3.418 20 30 CGEDMO C=CC[N@H+](C)Cn1nccc1-c1ccc(F)c(Cl)c1 ZINC000777543654 628280783 /nfs/dbraw/zinc/28/07/83/628280783.db2.gz FISBHFOFTOGDEY-UHFFFAOYSA-N 1 1 279.746 3.418 20 30 CGEDMO CC(N=NC1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779773952 628428868 /nfs/dbraw/zinc/42/88/68/628428868.db2.gz QREACIIHAYFNQR-QGZVFWFLSA-N 1 1 285.435 3.417 20 30 CGEDMO Cc1cc(Br)ccc1C=NNc1cc[nH+]cc1 ZINC000779809211 628433425 /nfs/dbraw/zinc/43/34/25/628433425.db2.gz MUJUQEIZWJFCJA-UHFFFAOYSA-N 1 1 290.164 3.020 20 30 CGEDMO CC(=NNc1cc[nH+]cc1)c1sc(C(C)(C)C)nc1C ZINC000779810870 628433900 /nfs/dbraw/zinc/43/39/00/628433900.db2.gz KPBLQYCYNQDOIF-UHFFFAOYSA-N 1 1 288.420 3.402 20 30 CGEDMO Cc1cc(Cl)cc2c1OCCC2=NNc1cc[nH+]cc1 ZINC000779811097 628434482 /nfs/dbraw/zinc/43/44/82/628434482.db2.gz CVQHSMOQMKFHQM-UHFFFAOYSA-N 1 1 287.750 3.064 20 30 CGEDMO C#CCCCCCC(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000780402708 628487218 /nfs/dbraw/zinc/48/72/18/628487218.db2.gz LFRPTGXBYCWXPI-BBWFWOEESA-N 1 1 292.467 3.053 20 30 CGEDMO C#CCCCCCC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000780676894 628508876 /nfs/dbraw/zinc/50/88/76/628508876.db2.gz AAQZAWNUYIGEPY-MJGOQNOKSA-N 1 1 298.430 3.132 20 30 CGEDMO C#CCCCCCC(=O)Nc1cccnc1-n1cc[nH+]c1C ZINC000780894636 628522967 /nfs/dbraw/zinc/52/29/67/628522967.db2.gz RBTAXEQZLDYBMP-UHFFFAOYSA-N 1 1 296.374 3.098 20 30 CGEDMO C=CC[N@H+](Cc1ccn(-c2ccccc2F)n1)C(C)C ZINC000782482936 628649161 /nfs/dbraw/zinc/64/91/61/628649161.db2.gz MZISHYRQEHDOGC-UHFFFAOYSA-N 1 1 273.355 3.408 20 30 CGEDMO C=CC[N@@H+](Cc1ccn(-c2ccccc2F)n1)C(C)C ZINC000782482936 628649164 /nfs/dbraw/zinc/64/91/64/628649164.db2.gz MZISHYRQEHDOGC-UHFFFAOYSA-N 1 1 273.355 3.408 20 30 CGEDMO C=CCCCCCO[NH+]=C(N)c1ccc(OC)cc1 ZINC000783028690 628673770 /nfs/dbraw/zinc/67/37/70/628673770.db2.gz OREFHANMSRNDMO-UHFFFAOYSA-N 1 1 262.353 3.079 20 30 CGEDMO C=CC[N@@H+](CC(=O)OCC)[C@H](C)CCc1cccc(F)c1 ZINC000783419539 628710117 /nfs/dbraw/zinc/71/01/17/628710117.db2.gz GRFNPGDVYSUTIC-CQSZACIVSA-N 1 1 293.382 3.198 20 30 CGEDMO C=CC[N@H+](CC(=O)OCC)[C@H](C)CCc1cccc(F)c1 ZINC000783419539 628710119 /nfs/dbraw/zinc/71/01/19/628710119.db2.gz GRFNPGDVYSUTIC-CQSZACIVSA-N 1 1 293.382 3.198 20 30 CGEDMO Cc1csc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)n1 ZINC000785617877 628875095 /nfs/dbraw/zinc/87/50/95/628875095.db2.gz YRAAJGYGULTFCW-CQSZACIVSA-N 1 1 269.373 3.100 20 30 CGEDMO C=CCC[N@@H+](C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000786446168 628933625 /nfs/dbraw/zinc/93/36/25/628933625.db2.gz SCPQMVDTQVNCGG-UHFFFAOYSA-N 1 1 267.756 3.256 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000786446168 628933629 /nfs/dbraw/zinc/93/36/29/628933629.db2.gz SCPQMVDTQVNCGG-UHFFFAOYSA-N 1 1 267.756 3.256 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000786447548 628934165 /nfs/dbraw/zinc/93/41/65/628934165.db2.gz VTYVOKDNOMVFJB-UHFFFAOYSA-N 1 1 274.408 3.431 20 30 CGEDMO C#CC[C@H]([NH2+]Cc1ccc(F)cn1)c1ccccc1 ZINC000787280017 629007282 /nfs/dbraw/zinc/00/72/82/629007282.db2.gz PHZGBOVUSGQXSP-INIZCTEOSA-N 1 1 254.308 3.075 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)CCC(C)(C)CC)n1 ZINC000789332181 629124689 /nfs/dbraw/zinc/12/46/89/629124689.db2.gz MWHBEXMTLCKHMR-UHFFFAOYSA-N 1 1 261.413 3.165 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)CCCC2CCCC2)n1 ZINC000789326316 629124747 /nfs/dbraw/zinc/12/47/47/629124747.db2.gz SEWUJEGTGNGIEX-UHFFFAOYSA-N 1 1 273.424 3.309 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)Cc2coc3ccccc23)n1 ZINC000789762035 629166229 /nfs/dbraw/zinc/16/62/29/629166229.db2.gz RJQVCHAHPJNCLY-UHFFFAOYSA-N 1 1 293.370 3.285 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)Cc2coc3ccccc23)n1 ZINC000789762035 629166231 /nfs/dbraw/zinc/16/62/31/629166231.db2.gz RJQVCHAHPJNCLY-UHFFFAOYSA-N 1 1 293.370 3.285 20 30 CGEDMO CC[C@@H](C)NN=C(C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000790182042 629189702 /nfs/dbraw/zinc/18/97/02/629189702.db2.gz HWNOMHGASWURGS-GFCCVEGCSA-N 1 1 270.380 3.293 20 30 CGEDMO C#CCOc1ccc(C[N@H+](C)Cc2ccn(CC)c2)cc1 ZINC000792182928 629345896 /nfs/dbraw/zinc/34/58/96/629345896.db2.gz HGZXBQNVLGVAGN-UHFFFAOYSA-N 1 1 282.387 3.152 20 30 CGEDMO C#CC[N@@H+](CC#Cc1ccccc1)C1CCCCC1 ZINC000792211044 629349913 /nfs/dbraw/zinc/34/99/13/629349913.db2.gz WDULCZXDWJREJA-UHFFFAOYSA-N 1 1 251.373 3.306 20 30 CGEDMO CC[N@@H+](CCc1ccccn1)Cc1ccc(C#N)c(F)c1 ZINC000792243602 629351338 /nfs/dbraw/zinc/35/13/38/629351338.db2.gz UAHFFIPOQSGWNO-UHFFFAOYSA-N 1 1 283.350 3.157 20 30 CGEDMO CCCCCCCNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000875764153 634730362 /nfs/dbraw/zinc/73/03/62/634730362.db2.gz BNFKBQFJWPIOJE-KRWDZBQOSA-N 1 1 295.471 3.084 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2ccnc(Cl)c2F)C1 ZINC000862440010 629373371 /nfs/dbraw/zinc/37/33/71/629373371.db2.gz DEGYWBHLYHMZHG-SNVBAGLBSA-N 1 1 254.736 3.272 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccnc(Cl)c2F)C1 ZINC000862440010 629373374 /nfs/dbraw/zinc/37/33/74/629373374.db2.gz DEGYWBHLYHMZHG-SNVBAGLBSA-N 1 1 254.736 3.272 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000862440730 629373419 /nfs/dbraw/zinc/37/34/19/629373419.db2.gz KSGFYXMZZMRESO-CABCVRRESA-N 1 1 270.376 3.375 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2c(F)ccc(O)c2F)C1 ZINC000862442369 629374069 /nfs/dbraw/zinc/37/40/69/629374069.db2.gz ZBFZVWNCOFRQEM-JTQLQIEISA-N 1 1 253.292 3.068 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cc(OCC)ccc2O)C1 ZINC000862441713 629374659 /nfs/dbraw/zinc/37/46/59/629374659.db2.gz UNWVFMOCYYFPBT-ZDUSSCGKSA-N 1 1 261.365 3.189 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000862442998 629375327 /nfs/dbraw/zinc/37/53/27/629375327.db2.gz KEUOVRFGTSRVDT-LLVKDONJSA-N 1 1 278.739 3.093 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2nc3ccc(F)cc3s2)C1 ZINC000862444570 629377934 /nfs/dbraw/zinc/37/79/34/629377934.db2.gz CCNHGOFHYRTYHN-LLVKDONJSA-N 1 1 274.364 3.281 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000862444667 629378092 /nfs/dbraw/zinc/37/80/92/629378092.db2.gz FKRLZKMBHSYNLD-NSHDSACASA-N 1 1 278.739 3.093 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000862444643 629378293 /nfs/dbraw/zinc/37/82/93/629378293.db2.gz DYUHGKROAIEYKE-YVGNARHYSA-N 1 1 284.359 3.343 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(F)ccc2OC(F)F)C1 ZINC000862447088 629379503 /nfs/dbraw/zinc/37/95/03/629379503.db2.gz IMIWINQTTRCZQT-LLVKDONJSA-N 1 1 283.293 3.272 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2nc3ccc(Cl)cc3n2C)C1 ZINC000862445500 629379526 /nfs/dbraw/zinc/37/95/26/629379526.db2.gz VITFHWSWLQRDPA-GFCCVEGCSA-N 1 1 287.794 3.072 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(OCC)c(OC)cc2F)C1 ZINC000862447992 629381546 /nfs/dbraw/zinc/38/15/46/629381546.db2.gz UNYXAYUQEXGESV-CYBMUJFWSA-N 1 1 291.366 3.078 20 30 CGEDMO C=CC[N@@H+](CCC#N)Cc1c(O)ccc2ccccc21 ZINC000793566897 629484849 /nfs/dbraw/zinc/48/48/49/629484849.db2.gz KHHCQQGQXVXIHH-UHFFFAOYSA-N 1 1 266.344 3.447 20 30 CGEDMO C=CC[N@H+](CCC#N)Cc1c(O)ccc2ccccc21 ZINC000793566897 629484852 /nfs/dbraw/zinc/48/48/52/629484852.db2.gz KHHCQQGQXVXIHH-UHFFFAOYSA-N 1 1 266.344 3.447 20 30 CGEDMO CCC(=[NH+]NCCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000794553660 629555565 /nfs/dbraw/zinc/55/55/65/629555565.db2.gz XDGPHZCMTUPQIZ-UHFFFAOYSA-N 1 1 287.329 3.409 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)CN1C[C@H](CC)CC1=O ZINC000794650320 629564143 /nfs/dbraw/zinc/56/41/43/629564143.db2.gz IUWJVOHTAJCODE-MRXNPFEDSA-N 1 1 286.419 3.281 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)CN1C[C@H](CC)CC1=O ZINC000794650320 629564146 /nfs/dbraw/zinc/56/41/46/629564146.db2.gz IUWJVOHTAJCODE-MRXNPFEDSA-N 1 1 286.419 3.281 20 30 CGEDMO CC(C)(C#N)CCCO[NH+]=C(N)CCC(F)(F)F ZINC000863490947 629587618 /nfs/dbraw/zinc/58/76/18/629587618.db2.gz TWBXDPJPOYRAGU-UHFFFAOYSA-N 1 1 265.279 3.157 20 30 CGEDMO C=CCCCCC[C@@H](C)N[C@H]1CC[NH2+]C12CCC2 ZINC000863543081 629601966 /nfs/dbraw/zinc/60/19/66/629601966.db2.gz VOVORZYPMASCPQ-CABCVRRESA-N 1 1 250.430 3.386 20 30 CGEDMO N#CC1(C[NH2+]C[C@@H](O)c2cc(F)ccc2F)CCCCC1 ZINC000863577400 629608963 /nfs/dbraw/zinc/60/89/63/629608963.db2.gz YLJOCJRDLSIBBN-OAHLLOKOSA-N 1 1 294.345 3.062 20 30 CGEDMO C#CCN1CC[N@H+](CCCc2ccccc2)C[C@@H]1CC(C)C ZINC000795123102 629634762 /nfs/dbraw/zinc/63/47/62/629634762.db2.gz PHIXVMRUJYWORW-FQEVSTJZSA-N 1 1 298.474 3.285 20 30 CGEDMO CCc1ccc(N2CC[NH+](CCCC#N)CC2)cc1Cl ZINC000796134467 629747909 /nfs/dbraw/zinc/74/79/09/629747909.db2.gz BWGUWMBBQFDPAJ-UHFFFAOYSA-N 1 1 291.826 3.328 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@](C(=O)OC)(C(F)(F)F)C1 ZINC000796307085 629762950 /nfs/dbraw/zinc/76/29/50/629762950.db2.gz ZOADBANTTXVTED-ZDUSSCGKSA-N 1 1 295.345 3.384 20 30 CGEDMO CCCCCCC[N@@H+]1C[C@@H](CC)[S@](=O)[C@@H](C)C1 ZINC000796376216 629773694 /nfs/dbraw/zinc/77/36/94/629773694.db2.gz NWTCGBSZDCDMMH-JJRVBVJISA-N 1 1 259.459 3.188 20 30 CGEDMO N#Cc1csc(C[N@H+]2CC[C@H](c3ccccn3)C2)c1 ZINC000798963058 630129041 /nfs/dbraw/zinc/12/90/41/630129041.db2.gz WGNYHGURKQRIIE-ZDUSSCGKSA-N 1 1 269.373 3.004 20 30 CGEDMO Cc1cc(C[N@H+]2CC[C@@H](c3ccccn3)C2)ccc1C#N ZINC000798961938 630129058 /nfs/dbraw/zinc/12/90/58/630129058.db2.gz GOWFAGKOVWLUCH-QGZVFWFLSA-N 1 1 277.371 3.251 20 30 CGEDMO CCCCCCCS(=O)(=O)Nc1ccc2[nH+]ccn2c1 ZINC000799638136 630206444 /nfs/dbraw/zinc/20/64/44/630206444.db2.gz GAHSXYRPQRAORI-UHFFFAOYSA-N 1 1 295.408 3.046 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000801569229 630344621 /nfs/dbraw/zinc/34/46/21/630344621.db2.gz JGAASEURYLQWGP-UHFFFAOYSA-N 1 1 294.801 3.405 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000801910551 630363748 /nfs/dbraw/zinc/36/37/48/630363748.db2.gz UGYFXAWJEHTZGL-IOASZLSFSA-N 1 1 288.391 3.296 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+](C)Cc1cccc(Cl)c1Cl ZINC000801909904 630364024 /nfs/dbraw/zinc/36/40/24/630364024.db2.gz HWSDOHHBWVWIET-JTQLQIEISA-N 1 1 287.190 3.354 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+](C)Cc1cccc(Cl)c1Cl ZINC000801909904 630364026 /nfs/dbraw/zinc/36/40/26/630364026.db2.gz HWSDOHHBWVWIET-JTQLQIEISA-N 1 1 287.190 3.354 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000801912499 630364642 /nfs/dbraw/zinc/36/46/42/630364642.db2.gz UDQVKWCWQXXGAJ-SNVBAGLBSA-N 1 1 287.190 3.354 20 30 CGEDMO CC(C)c1ccc(C[N@@H+](C)CCO[C@@H](C)C#N)cc1 ZINC000801912338 630365119 /nfs/dbraw/zinc/36/51/19/630365119.db2.gz NNTZVCLEQZGXTH-AWEZNQCLSA-N 1 1 260.381 3.170 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCCCC[C@H]1c1ccco1 ZINC000801922135 630366430 /nfs/dbraw/zinc/36/64/30/630366430.db2.gz GFBYUJANBSBWJQ-KGLIPLIRSA-N 1 1 262.353 3.125 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000801935023 630369894 /nfs/dbraw/zinc/36/98/94/630369894.db2.gz URBJVCSROSSRBX-CYBMUJFWSA-N 1 1 290.794 3.358 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC000801937852 630370575 /nfs/dbraw/zinc/37/05/75/630370575.db2.gz AOXFALIYHZTJOO-AMMZPXFLSA-N 1 1 270.376 3.093 20 30 CGEDMO Cc1cc(C)cc([C@H]2CC[N@H+](CCO[C@H](C)C#N)C2)c1 ZINC000801939849 630371298 /nfs/dbraw/zinc/37/12/98/630371298.db2.gz WIMZNGRLTIEXSR-CVEARBPZSA-N 1 1 272.392 3.021 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)CN1C[C@@H]2CCC[C@H]2C1=O ZINC000840060791 630560841 /nfs/dbraw/zinc/56/08/41/630560841.db2.gz GDJOHTUINOCBMT-ZWKOTPCHSA-N 1 1 298.430 3.281 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)CN1C[C@@H]2CCC[C@H]2C1=O ZINC000840060791 630560845 /nfs/dbraw/zinc/56/08/45/630560845.db2.gz GDJOHTUINOCBMT-ZWKOTPCHSA-N 1 1 298.430 3.281 20 30 CGEDMO CCCC[C@H](C)[N@@H+](CCCC)Cn1cccc(C#N)c1=O ZINC000840092960 630589757 /nfs/dbraw/zinc/58/97/57/630589757.db2.gz ZZPYLVQEZIDICE-HNNXBMFYSA-N 1 1 289.423 3.358 20 30 CGEDMO Cc1cc([N+](=O)[O-])ccc1N=NC1C[N@@H+](C(C)C)C[C@@H]1C ZINC000807991302 630612355 /nfs/dbraw/zinc/61/23/55/630612355.db2.gz LALUKBBGFNLJCV-LBPRGKRZSA-N 1 1 290.367 3.031 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)CN1C(=O)CCC1(C)C ZINC000808181237 630630213 /nfs/dbraw/zinc/63/02/13/630630213.db2.gz FCISMDRJZCSSBX-UHFFFAOYSA-N 1 1 286.419 3.423 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)CN1C(=O)CCC1(C)C ZINC000808181237 630630214 /nfs/dbraw/zinc/63/02/14/630630214.db2.gz FCISMDRJZCSSBX-UHFFFAOYSA-N 1 1 286.419 3.423 20 30 CGEDMO N#CC1(C[NH2+][C@@H](c2ccccc2)[C@H](O)c2ccccc2)CC1 ZINC000808787079 630678618 /nfs/dbraw/zinc/67/86/18/630678618.db2.gz NHZNQEXCZKGLPZ-ZWKOTPCHSA-N 1 1 292.382 3.355 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)Cc2c(C)nc3sccn23)cc1 ZINC000809567105 630752395 /nfs/dbraw/zinc/75/23/95/630752395.db2.gz SWDGRJCSGLKDCN-UHFFFAOYSA-N 1 1 295.411 3.318 20 30 CGEDMO C#Cc1ccc(C[N@@H+](C)Cc2c(C)nc3sccn23)cc1 ZINC000809567105 630752398 /nfs/dbraw/zinc/75/23/98/630752398.db2.gz SWDGRJCSGLKDCN-UHFFFAOYSA-N 1 1 295.411 3.318 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CC[C@H]2Cc2ccccc2)cc1 ZINC000809584250 630754437 /nfs/dbraw/zinc/75/44/37/630754437.db2.gz NKTLKEZVPAUXGQ-IBGZPJMESA-N 1 1 261.368 3.485 20 30 CGEDMO N#CCC[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809655153 630775464 /nfs/dbraw/zinc/77/54/64/630775464.db2.gz CIFYVKZXNAJFAB-UHFFFAOYSA-N 1 1 291.398 3.253 20 30 CGEDMO C=CCN(CC1CCCCC1)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000810390671 630874474 /nfs/dbraw/zinc/87/44/74/630874474.db2.gz KIRDDJWZSSYDSA-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](CCOC)C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000878503179 635534126 /nfs/dbraw/zinc/53/41/26/635534126.db2.gz OSYMAXLJMSUXHF-IRXDYDNUSA-N 1 1 275.392 3.041 20 30 CGEDMO CC(=O)c1ccc(C#N)cc1NCC[N@H+](C)C1CCCCC1 ZINC000811766512 631118828 /nfs/dbraw/zinc/11/88/28/631118828.db2.gz RIODBDFTRSAFDO-UHFFFAOYSA-N 1 1 299.418 3.437 20 30 CGEDMO C#C[C@@H](Nc1[nH+]cnc2[nH]ccc21)c1ccc(Cl)cc1 ZINC000811863555 631128472 /nfs/dbraw/zinc/12/84/72/631128472.db2.gz ZLVBRSTUQKFGBJ-CYBMUJFWSA-N 1 1 282.734 3.398 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[NH+]1CC(C2CC2)C1 ZINC000812776813 631307114 /nfs/dbraw/zinc/30/71/14/631307114.db2.gz ZMJCURSTSNBGRS-UHFFFAOYSA-N 1 1 275.779 3.194 20 30 CGEDMO CCCCCCCC[N@H+]1CCOC[C@@H]1CCOC ZINC000812886958 631328911 /nfs/dbraw/zinc/32/89/11/631328911.db2.gz PQCJOGJQKNECPL-HNNXBMFYSA-N 1 1 257.418 3.084 20 30 CGEDMO CC[N@H+](Cc1cc(Cl)ccc1OCC#N)C[C@@H](C)OC ZINC000812908163 631331030 /nfs/dbraw/zinc/33/10/30/631331030.db2.gz BVJKLGPIUSBVDH-GFCCVEGCSA-N 1 1 296.798 3.099 20 30 CGEDMO C=CCC(C)(C)COC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000814003893 631504852 /nfs/dbraw/zinc/50/48/52/631504852.db2.gz VVKNVODGMQBVEI-INIZCTEOSA-N 1 1 285.403 3.344 20 30 CGEDMO CCCCCCCCC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000814164481 631534562 /nfs/dbraw/zinc/53/45/62/631534562.db2.gz BGGSLZPWXBKXSR-QGZVFWFLSA-N 1 1 280.456 3.291 20 30 CGEDMO CC(=[NH+]Nc1cccc(Cl)c1C)c1ccc(N)nc1 ZINC000814801793 631642474 /nfs/dbraw/zinc/64/24/74/631642474.db2.gz NCFUTIAAJOTIFA-UHFFFAOYSA-N 1 1 274.755 3.462 20 30 CGEDMO CC(=[NH+]Nc1c(C)cc(C)cc1C)c1ccc(N)nc1 ZINC000814860281 631657805 /nfs/dbraw/zinc/65/78/05/631657805.db2.gz NXJJWJAEJINJBV-UHFFFAOYSA-N 1 1 268.364 3.425 20 30 CGEDMO CC[C@H](C)NN=C1CCC[N@H+](Cc2ccccc2)[C@H]1C ZINC000814913644 631679356 /nfs/dbraw/zinc/67/93/56/631679356.db2.gz SFZJCHJHSXNCRH-GJZGRUSLSA-N 1 1 273.424 3.415 20 30 CGEDMO CC[C@H](C)NN=C1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000814913644 631679364 /nfs/dbraw/zinc/67/93/64/631679364.db2.gz SFZJCHJHSXNCRH-GJZGRUSLSA-N 1 1 273.424 3.415 20 30 CGEDMO CC1(C)CC(=[NH+]OCCC2CC2)c2cc(N)ccc2O1 ZINC000814940945 631694044 /nfs/dbraw/zinc/69/40/44/631694044.db2.gz IDTWIKQTROEPAL-UHFFFAOYSA-N 1 1 274.364 3.351 20 30 CGEDMO C[C@@H](C#N)C[N@H+](C[C@H](O)c1cccc2ccccc21)C1CC1 ZINC000815076743 631712694 /nfs/dbraw/zinc/71/26/94/631712694.db2.gz WPAQBMCQDNNAFO-LIRRHRJNSA-N 1 1 294.398 3.497 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C[C@H](O)c1cccc2ccccc21)C1CC1 ZINC000815076743 631712700 /nfs/dbraw/zinc/71/27/00/631712700.db2.gz WPAQBMCQDNNAFO-LIRRHRJNSA-N 1 1 294.398 3.497 20 30 CGEDMO CSC1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000879097554 635702390 /nfs/dbraw/zinc/70/23/90/635702390.db2.gz BDMKWDMLTJUXCX-UHFFFAOYSA-N 1 1 264.369 3.025 20 30 CGEDMO C=C(Cl)COc1ccc([C@H](C)NC2CC[NH2+]CC2)cc1 ZINC000817937269 632237750 /nfs/dbraw/zinc/23/77/50/632237750.db2.gz WCZUEEIUIBPCJY-ZDUSSCGKSA-N 1 1 294.826 3.221 20 30 CGEDMO CC(C)n1ccc(C[N@@H+](C)CCc2cccc(C#N)c2)n1 ZINC000879434127 635787384 /nfs/dbraw/zinc/78/73/84/635787384.db2.gz OVZYDKCJUOOQTQ-UHFFFAOYSA-N 1 1 282.391 3.010 20 30 CGEDMO C[C@@H]1CC(N=Nc2cc(Cl)nc(Cl)c2)C[N@H+]1C1CC1 ZINC000819832410 632528389 /nfs/dbraw/zinc/52/83/89/632528389.db2.gz RYIIDEGIRUTPLB-MRVPVSSYSA-N 1 1 299.205 3.413 20 30 CGEDMO C=C(C)CC[N@@H+]1CCOC[C@@H]1c1ccc(OC)cc1 ZINC000879739551 635849258 /nfs/dbraw/zinc/84/92/58/635849258.db2.gz RXSPHIVIEBUKJX-MRXNPFEDSA-N 1 1 261.365 3.035 20 30 CGEDMO C=C(Br)C[N@@H+](C)[C@@H]1C[C@@H](OCC)C12CCC2 ZINC000121028803 633092964 /nfs/dbraw/zinc/09/29/64/633092964.db2.gz NAAUTZHJTPVTAL-VXGBXAGGSA-N 1 1 288.229 3.175 20 30 CGEDMO C=C(Br)C[N@H+](C)[C@@H]1C[C@@H](OCC)C12CCC2 ZINC000121028803 633092971 /nfs/dbraw/zinc/09/29/71/633092971.db2.gz NAAUTZHJTPVTAL-VXGBXAGGSA-N 1 1 288.229 3.175 20 30 CGEDMO C[N@H+](Cc1cccc(F)c1C#N)C[C@@](C)(O)c1ccccc1 ZINC000823604832 633125765 /nfs/dbraw/zinc/12/57/65/633125765.db2.gz FLAROCIMKIYOKY-GOSISDBHSA-N 1 1 298.361 3.037 20 30 CGEDMO C[N@@H+](Cc1cccc(F)c1C#N)C[C@@](C)(O)c1ccccc1 ZINC000823604832 633125767 /nfs/dbraw/zinc/12/57/67/633125767.db2.gz FLAROCIMKIYOKY-GOSISDBHSA-N 1 1 298.361 3.037 20 30 CGEDMO CCCCOC(=O)CC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000823619083 633128095 /nfs/dbraw/zinc/12/80/95/633128095.db2.gz XAYNOKNETRNGOP-CQSZACIVSA-N 1 1 288.391 3.284 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC000121129315 633206159 /nfs/dbraw/zinc/20/61/59/633206159.db2.gz LNOMPLSVEUHXMJ-AWEZNQCLSA-N 1 1 298.224 3.381 20 30 CGEDMO C[C@@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)c1ccc(F)cc1O ZINC000866617284 633216336 /nfs/dbraw/zinc/21/63/36/633216336.db2.gz GSBRYBIJCYGOKE-BDJLRTHQSA-N 1 1 296.345 3.221 20 30 CGEDMO CN(Cc1cccs1)c1ccc(C[NH2+]CCC#N)cc1 ZINC000824301749 633227245 /nfs/dbraw/zinc/22/72/45/633227245.db2.gz DIEGUWPWCHOBHI-UHFFFAOYSA-N 1 1 285.416 3.388 20 30 CGEDMO C#CCC[N@H+]1CCC[C@@H](c2cc(-c3ccccc3)n[nH]2)C1 ZINC000880277948 635962565 /nfs/dbraw/zinc/96/25/65/635962565.db2.gz QSUJQNWBJYQZHO-MRXNPFEDSA-N 1 1 279.387 3.279 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cccc(OC3CC3)c2F)C1 ZINC000826535215 633411108 /nfs/dbraw/zinc/41/11/08/633411108.db2.gz SQPUYAHWVAKSGL-ZDUSSCGKSA-N 1 1 273.351 3.212 20 30 CGEDMO C#CCC(C)(C)C(=O)OCc1c(C)cc(C)[nH+]c1C ZINC000869473440 633449756 /nfs/dbraw/zinc/44/97/56/633449756.db2.gz CRBHVVNRCLLLKX-UHFFFAOYSA-N 1 1 259.349 3.100 20 30 CGEDMO N#Cc1cnccc1C[N@H+]1CCCC2(CCCC2)C1 ZINC000828388965 633610726 /nfs/dbraw/zinc/61/07/26/633610726.db2.gz AKTSYNZEHOUQKB-UHFFFAOYSA-N 1 1 255.365 3.109 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1C[C@@H]1CN(C2CCCCC2)C(=O)O1 ZINC000828440342 633614456 /nfs/dbraw/zinc/61/44/56/633614456.db2.gz PGMDBOPHUWADLQ-GDBMZVCRSA-N 1 1 292.423 3.180 20 30 CGEDMO C=C[C@](C)(CCOC)C(=O)O[C@H](C)C[C@@H]1CCCC[N@H+]1C ZINC000870786405 633646018 /nfs/dbraw/zinc/64/60/18/633646018.db2.gz WHVXNDBMSDMYSN-HLLBOEOZSA-N 1 1 297.439 3.021 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](CCCOCCc2ccccc2)C1 ZINC000829779457 633782495 /nfs/dbraw/zinc/78/24/95/633782495.db2.gz VEWUIYJPEAOZPJ-IBGZPJMESA-N 1 1 285.431 3.371 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000829809812 633793121 /nfs/dbraw/zinc/79/31/21/633793121.db2.gz IETMYHHGAHNKCH-CJNGLKHVSA-N 1 1 277.795 3.109 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000829815390 633795448 /nfs/dbraw/zinc/79/54/48/633795448.db2.gz KZOKSCGDTAWKTK-NSHDSACASA-N 1 1 294.301 3.108 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000829815390 633795451 /nfs/dbraw/zinc/79/54/51/633795451.db2.gz KZOKSCGDTAWKTK-NSHDSACASA-N 1 1 294.301 3.108 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cncc(C(F)(F)F)c2)C1 ZINC000829815691 633796703 /nfs/dbraw/zinc/79/67/03/633796703.db2.gz QXFVMMQRHSNWKM-LBPRGKRZSA-N 1 1 282.309 3.336 20 30 CGEDMO C[C@@H]1[C@@H](C)[N@H+](CCCC#N)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000830182962 633837177 /nfs/dbraw/zinc/83/71/77/633837177.db2.gz MXPHACGKTARCHQ-BFHYXJOUSA-N 1 1 295.427 3.008 20 30 CGEDMO C[C@@H]1[C@@H](C)[N@@H+](CCCC#N)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000830182962 633837178 /nfs/dbraw/zinc/83/71/78/633837178.db2.gz MXPHACGKTARCHQ-BFHYXJOUSA-N 1 1 295.427 3.008 20 30 CGEDMO C#CC1CC[NH+](Cc2csc(-c3ccoc3)n2)CC1 ZINC000830326344 633850143 /nfs/dbraw/zinc/85/01/43/633850143.db2.gz LFCQFCMIGANXSV-UHFFFAOYSA-N 1 1 272.373 3.248 20 30 CGEDMO CS[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000830879027 633893994 /nfs/dbraw/zinc/89/39/94/633893994.db2.gz XPKURFUXYZPBOK-ZDUSSCGKSA-N 1 1 296.823 3.180 20 30 CGEDMO CC(C)(C)Oc1cccc(C[NH2+]C[C@H](C#N)CCC#N)c1 ZINC000871933389 633919494 /nfs/dbraw/zinc/91/94/94/633919494.db2.gz NOEXOXRRCFMFNC-HNNXBMFYSA-N 1 1 285.391 3.397 20 30 CGEDMO C#C[C@H]1CC[C@H]([NH2+]C2CCN(C(C)(C)C)CC2)CC1 ZINC000872139414 634062149 /nfs/dbraw/zinc/06/21/49/634062149.db2.gz DIXQALGIHVOGIV-SHTZXODSSA-N 1 1 262.441 3.031 20 30 CGEDMO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2O)CC1 ZINC000872138938 634062523 /nfs/dbraw/zinc/06/25/23/634062523.db2.gz BUUARZNFMSANIM-OBJOEFQTSA-N 1 1 261.340 3.374 20 30 CGEDMO C#CCCC[N@H+](C)[C@H]1C[C@H](c2cccc(OC)c2)C1 ZINC000832580853 634074061 /nfs/dbraw/zinc/07/40/61/634074061.db2.gz XDNCYPAZXKLVMV-WKILWMFISA-N 1 1 257.377 3.286 20 30 CGEDMO CSc1nnc(SC)n1[NH+]=CCCCC1CC1 ZINC000872418209 634141398 /nfs/dbraw/zinc/14/13/98/634141398.db2.gz GPHLUYQJMUSZQA-UHFFFAOYSA-N 1 1 270.427 3.136 20 30 CGEDMO C[N@@H+](Cc1c(O)ccc2ccncc21)[C@@H]1CCC[C@H]1C#N ZINC000872682985 634186362 /nfs/dbraw/zinc/18/63/62/634186362.db2.gz SJGBLDCNRBYOOA-XJKSGUPXSA-N 1 1 281.359 3.064 20 30 CGEDMO FC1(F)CC1=C[NH2+]Nc1nc(-c2ccc(Cl)cc2)no1 ZINC000834958411 634294347 /nfs/dbraw/zinc/29/43/47/634294347.db2.gz NRKUAURZRQENEL-QMMMGPOBSA-N 1 1 298.680 3.443 20 30 CGEDMO C#CCON=C1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]12 ZINC000834980121 634303115 /nfs/dbraw/zinc/30/31/15/634303115.db2.gz VOACPDZKJRRWMX-SJLPKXTDSA-N 1 1 282.387 3.067 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876528642 634851540 /nfs/dbraw/zinc/85/15/40/634851540.db2.gz UCZKKEYYVRVTEB-UHFFFAOYSA-N 1 1 288.435 3.046 20 30 CGEDMO CC[N@H+](Cc1ccoc1)Cc1cc(C#N)ccc1N(C)C ZINC000876677327 634879881 /nfs/dbraw/zinc/87/98/81/634879881.db2.gz MABUSAYWNAPPIG-UHFFFAOYSA-N 1 1 283.375 3.239 20 30 CGEDMO CC[N@@H+](Cc1ccoc1)Cc1cc(C#N)ccc1N(C)C ZINC000876677327 634879886 /nfs/dbraw/zinc/87/98/86/634879886.db2.gz MABUSAYWNAPPIG-UHFFFAOYSA-N 1 1 283.375 3.239 20 30 CGEDMO C#CCCCCCC[N@H+]1CC[C@@H](N2CCCCC2)C1 ZINC000876689915 634881631 /nfs/dbraw/zinc/88/16/31/634881631.db2.gz NWZBCNFNFQUTHZ-QGZVFWFLSA-N 1 1 262.441 3.130 20 30 CGEDMO C#CCCCCCCN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000876689915 634881633 /nfs/dbraw/zinc/88/16/33/634881633.db2.gz NWZBCNFNFQUTHZ-QGZVFWFLSA-N 1 1 262.441 3.130 20 30 CGEDMO C[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876750233 634892817 /nfs/dbraw/zinc/89/28/17/634892817.db2.gz OXBQZPHQMLHTGW-GHMZBOCLSA-N 1 1 263.772 3.227 20 30 CGEDMO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876750233 634892820 /nfs/dbraw/zinc/89/28/20/634892820.db2.gz OXBQZPHQMLHTGW-GHMZBOCLSA-N 1 1 263.772 3.227 20 30 CGEDMO C#CCCCCCC[N@@H+](C)[C@@H]1CCN(CC)[C@@H](C)C1 ZINC000876757734 634893980 /nfs/dbraw/zinc/89/39/80/634893980.db2.gz FTNVLQRIVNCAAL-DLBZAZTESA-N 1 1 264.457 3.375 20 30 CGEDMO C#CCCCCCC[N@H+](C)[C@@H]1CCN(CC)[C@@H](C)C1 ZINC000876757734 634893984 /nfs/dbraw/zinc/89/39/84/634893984.db2.gz FTNVLQRIVNCAAL-DLBZAZTESA-N 1 1 264.457 3.375 20 30 CGEDMO C#CCCCCCC[N@@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000876807460 634903585 /nfs/dbraw/zinc/90/35/85/634903585.db2.gz DZKYVXXJHROMIP-IRXDYDNUSA-N 1 1 273.424 3.350 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cc2c(ccnc2Cl)o1 ZINC000877474251 635051131 /nfs/dbraw/zinc/05/11/31/635051131.db2.gz YJBKMCLZCQPONS-UHFFFAOYSA-N 1 1 280.755 3.116 20 30 CGEDMO C=C(Cl)C[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000121490299 635102007 /nfs/dbraw/zinc/10/20/07/635102007.db2.gz GIVRPBADZQWEAS-OAHLLOKOSA-N 1 1 265.784 3.111 20 30 CGEDMO C=C(Cl)C[N@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000121490299 635102009 /nfs/dbraw/zinc/10/20/09/635102009.db2.gz GIVRPBADZQWEAS-OAHLLOKOSA-N 1 1 265.784 3.111 20 30 CGEDMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000841493193 635186378 /nfs/dbraw/zinc/18/63/78/635186378.db2.gz WJLNPNPCZOQMJN-SCLBCKFNSA-N 1 1 298.361 3.424 20 30 CGEDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000841493191 635186860 /nfs/dbraw/zinc/18/68/60/635186860.db2.gz WJLNPNPCZOQMJN-ACJLOTCBSA-N 1 1 298.361 3.424 20 30 CGEDMO CC([NH2+]Nc1cncc(Br)c1)=C1CC1(F)F ZINC000841631913 635202554 /nfs/dbraw/zinc/20/25/54/635202554.db2.gz LQBNYEJMATYODA-VIFPVBQESA-N 1 1 290.111 3.287 20 30 CGEDMO C[C@@H](CCC#N)CN1CCC(C)([NH+]2CCCCC2)CC1 ZINC000877794935 635204786 /nfs/dbraw/zinc/20/47/86/635204786.db2.gz WUMSWFWEYOUUMZ-INIZCTEOSA-N 1 1 277.456 3.267 20 30 CGEDMO CCN(CC)c1ccc(C[NH2+]CC2(C#N)CCC2)cc1F ZINC000841895843 635250038 /nfs/dbraw/zinc/25/00/38/635250038.db2.gz CXKLFCLCSDZURI-UHFFFAOYSA-N 1 1 289.398 3.455 20 30 CGEDMO CCCC[N@@H+](C)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000877900043 635258021 /nfs/dbraw/zinc/25/80/21/635258021.db2.gz BHBQVYGOMWDZQY-KRWDZBQOSA-N 1 1 272.392 3.159 20 30 CGEDMO C=CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000877961510 635290266 /nfs/dbraw/zinc/29/02/66/635290266.db2.gz RQXNUGHPTPKKBA-STQMWFEESA-N 1 1 265.378 3.003 20 30 CGEDMO C=CC[C@@H](C(=O)OC)[N@H+]1CCC[C@H]1c1ccsc1 ZINC000877961510 635290273 /nfs/dbraw/zinc/29/02/73/635290273.db2.gz RQXNUGHPTPKKBA-STQMWFEESA-N 1 1 265.378 3.003 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@H]1C[C@@H](OC)C1 ZINC000877983582 635305556 /nfs/dbraw/zinc/30/55/56/635305556.db2.gz RAYOVWTUTYVFAW-WOVMCDHWSA-N 1 1 275.392 3.108 20 30 CGEDMO CC[N@H+](Cc1nocc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000877992301 635310867 /nfs/dbraw/zinc/31/08/67/635310867.db2.gz XQXYVTHRTQQSGQ-CYBMUJFWSA-N 1 1 269.348 3.438 20 30 CGEDMO CC[N@@H+](Cc1nocc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000877992301 635310875 /nfs/dbraw/zinc/31/08/75/635310875.db2.gz XQXYVTHRTQQSGQ-CYBMUJFWSA-N 1 1 269.348 3.438 20 30 CGEDMO C[C@H](C#N)C[N@H+](C)C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000878034538 635331509 /nfs/dbraw/zinc/33/15/09/635331509.db2.gz GIGQGGWHWSMLRP-HYVNUMGLSA-N 1 1 272.392 3.388 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C)C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC000878034538 635331515 /nfs/dbraw/zinc/33/15/15/635331515.db2.gz GIGQGGWHWSMLRP-HYVNUMGLSA-N 1 1 272.392 3.388 20 30 CGEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCC[C@H]1C1CC1)c1ccccc1 ZINC000878050167 635338881 /nfs/dbraw/zinc/33/88/81/635338881.db2.gz RQFIMDVZHJAIQN-OALUTQOASA-N 1 1 296.414 3.301 20 30 CGEDMO C#CCCCCCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000878155324 635383242 /nfs/dbraw/zinc/38/32/42/635383242.db2.gz NOPVKEISYWEPAY-SJORKVTESA-N 1 1 262.441 3.127 20 30 CGEDMO CCCO[NH+]=Cc1ccc(N2CCCCC2)s1 ZINC000842566239 635404257 /nfs/dbraw/zinc/40/42/57/635404257.db2.gz YJRPASLITJEGMU-UHFFFAOYSA-N 1 1 252.383 3.499 20 30 CGEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1CC=C(C)CC1)c1ccccc1 ZINC000878300598 635450201 /nfs/dbraw/zinc/45/02/01/635450201.db2.gz LFXIXFJRSUFWMG-SFHVURJKSA-N 1 1 282.387 3.079 20 30 CGEDMO CO[C@H]1C[C@@H](C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000878333720 635463071 /nfs/dbraw/zinc/46/30/71/635463071.db2.gz BUKWZJNEPNIZTQ-RHNCMZPLSA-N 1 1 282.387 3.072 20 30 CGEDMO N#CCC1CC[NH+](Cc2cc(C(F)(F)F)co2)CC1 ZINC000878395930 635486575 /nfs/dbraw/zinc/48/65/75/635486575.db2.gz HUUIMDWBKUQQKR-UHFFFAOYSA-N 1 1 272.270 3.424 20 30 CGEDMO C#Cc1cccc(C[NH2+][C@@H](C)c2cc3n(n2)CCCC3)c1 ZINC000842876825 635504894 /nfs/dbraw/zinc/50/48/94/635504894.db2.gz XWMUYQRJPLUYBP-AWEZNQCLSA-N 1 1 279.387 3.052 20 30 CGEDMO C=CC[C@H](C)[N@@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000878465884 635520089 /nfs/dbraw/zinc/52/00/89/635520089.db2.gz GYSBDNCHSKGHMX-XHDPSFHLSA-N 1 1 267.319 3.303 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000878465884 635520099 /nfs/dbraw/zinc/52/00/99/635520099.db2.gz GYSBDNCHSKGHMX-XHDPSFHLSA-N 1 1 267.319 3.303 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000878563053 635556570 /nfs/dbraw/zinc/55/65/70/635556570.db2.gz KTUTXVIOCRFAAO-CJNGLKHVSA-N 1 1 282.428 3.188 20 30 CGEDMO C#CCCCCC[N@H+]1CCC=C(c2cccnc2)C1 ZINC000878616649 635573924 /nfs/dbraw/zinc/57/39/24/635573924.db2.gz BXKIRAMCBACINX-UHFFFAOYSA-N 1 1 254.377 3.364 20 30 CGEDMO Cc1ccc2c(ccc(C)c2C[N@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000878760862 635624388 /nfs/dbraw/zinc/62/43/88/635624388.db2.gz DDRTYKGGPDYWOX-LJQANCHMSA-N 1 1 294.398 3.307 20 30 CGEDMO CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000878887988 635650437 /nfs/dbraw/zinc/65/04/37/635650437.db2.gz ZSYUXTFTBDYGIN-RDJZCZTQSA-N 1 1 299.418 3.338 20 30 CGEDMO CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000878887988 635650439 /nfs/dbraw/zinc/65/04/39/635650439.db2.gz ZSYUXTFTBDYGIN-RDJZCZTQSA-N 1 1 299.418 3.338 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000843422751 635666468 /nfs/dbraw/zinc/66/64/68/635666468.db2.gz IKNCDZOPLSAABD-CQSZACIVSA-N 1 1 252.361 3.403 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2C)C1 ZINC000843423016 635666690 /nfs/dbraw/zinc/66/66/90/635666690.db2.gz KMXLGMJOEYZOOD-OAHLLOKOSA-N 1 1 287.403 3.248 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@@H+](C)C(C)(C)C)cc1 ZINC000843431462 635673398 /nfs/dbraw/zinc/67/33/98/635673398.db2.gz SDPGGWWLKCWANA-UHFFFAOYSA-N 1 1 259.397 3.267 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC3(C[C@H]2C)CCOCC3)cc1 ZINC000843430591 635673620 /nfs/dbraw/zinc/67/36/20/635673620.db2.gz BBYRNWVJDCPRIP-OAHLLOKOSA-N 1 1 269.388 3.059 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@H]1[C@H](O)c1ccccc1 ZINC000879239555 635731818 /nfs/dbraw/zinc/73/18/18/635731818.db2.gz CWCCSHDMFIAYTJ-RBUKOAKNSA-N 1 1 292.382 3.256 20 30 CGEDMO C=CCCc1ccccc1NC(=O)NC[C@H]1CC[N@@H+]1CC ZINC000879495160 635798611 /nfs/dbraw/zinc/79/86/11/635798611.db2.gz CAZLMKDPSVYPSD-OAHLLOKOSA-N 1 1 287.407 3.021 20 30 CGEDMO C[N@@H+](CCC1CCCC1)C[C@H](O)c1cccc(C#N)c1 ZINC000844371601 635883068 /nfs/dbraw/zinc/88/30/68/635883068.db2.gz ZVFOLGPWDZRKNW-KRWDZBQOSA-N 1 1 272.392 3.104 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000844373511 635883924 /nfs/dbraw/zinc/88/39/24/635883924.db2.gz JCXJANQJJBKPKS-CJNGLKHVSA-N 1 1 292.810 3.316 20 30 CGEDMO CCCCCCC[N@@H+]1CCn2c(CC3CC3)nnc2C1 ZINC000844377987 635885218 /nfs/dbraw/zinc/88/52/18/635885218.db2.gz JNYYAGRJWSZEDM-UHFFFAOYSA-N 1 1 276.428 3.017 20 30 CGEDMO CCCCCCC[N@H+]1CCn2c(CC3CC3)nnc2C1 ZINC000844377987 635885222 /nfs/dbraw/zinc/88/52/22/635885222.db2.gz JNYYAGRJWSZEDM-UHFFFAOYSA-N 1 1 276.428 3.017 20 30 CGEDMO N#CCOc1ccc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000844435419 635900286 /nfs/dbraw/zinc/90/02/86/635900286.db2.gz DCGJKTYABJQRLK-OAHLLOKOSA-N 1 1 292.329 3.210 20 30 CGEDMO CN1CCC[C@@H]2[C@H]1CC[N@H+]2Cc1ccccc1C(C)(C)C#N ZINC000880135071 635921585 /nfs/dbraw/zinc/92/15/85/635921585.db2.gz QJKAGTBUZYFUTL-QZTJIDSGSA-N 1 1 297.446 3.156 20 30 CGEDMO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2Cc1ccccc1C(C)(C)C#N ZINC000880135071 635921589 /nfs/dbraw/zinc/92/15/89/635921589.db2.gz QJKAGTBUZYFUTL-QZTJIDSGSA-N 1 1 297.446 3.156 20 30 CGEDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2Cc1ccccc1C(C)(C)C#N ZINC000880135071 635921591 /nfs/dbraw/zinc/92/15/91/635921591.db2.gz QJKAGTBUZYFUTL-QZTJIDSGSA-N 1 1 297.446 3.156 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H](CF)C1 ZINC000880236773 635946522 /nfs/dbraw/zinc/94/65/22/635946522.db2.gz IJMIMTYDQHKDRV-LLVKDONJSA-N 1 1 266.747 3.393 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](CF)C1 ZINC000880236773 635946527 /nfs/dbraw/zinc/94/65/27/635946527.db2.gz IJMIMTYDQHKDRV-LLVKDONJSA-N 1 1 266.747 3.393 20 30 CGEDMO CO[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C#N)cc2C)C1 ZINC000880306677 635970824 /nfs/dbraw/zinc/97/08/24/635970824.db2.gz WMXGPNVDPVULED-AWEZNQCLSA-N 1 1 298.308 3.020 20 30 CGEDMO C[C@H]1c2sccc2CC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000880378721 635989225 /nfs/dbraw/zinc/98/92/25/635989225.db2.gz YWIAUCZAXMONTD-BLLLJJGKSA-N 1 1 298.411 3.272 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCCSC[C@H]1c1ccccc1 ZINC000880388371 635991389 /nfs/dbraw/zinc/99/13/89/635991389.db2.gz QHFBLPUTGBMWKI-IRXDYDNUSA-N 1 1 291.460 3.494 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000128474019 636012577 /nfs/dbraw/zinc/01/25/77/636012577.db2.gz GURVZMOPACJUSI-UHFFFAOYSA-N 1 1 279.811 3.463 20 30 CGEDMO CC(C)(C#N)CC[N@@H+]1Cc2ccccc2N2CCC[C@H]2C1 ZINC000880553135 636019936 /nfs/dbraw/zinc/01/99/36/636019936.db2.gz CJYQMISCTZCGAC-INIZCTEOSA-N 1 1 283.419 3.411 20 30 CGEDMO N#CCC1(C[N@H+]2CCCC[C@H](C3CCOCC3)C2)CC1 ZINC000880578234 636025755 /nfs/dbraw/zinc/02/57/55/636025755.db2.gz RAUQVDZQLOXJFH-INIZCTEOSA-N 1 1 276.424 3.209 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000880578925 636026420 /nfs/dbraw/zinc/02/64/20/636026420.db2.gz UCKSGLWXWKTVFC-GDBMZVCRSA-N 1 1 264.413 3.207 20 30 CGEDMO Cc1cc(C[NH2+]CC2(C#N)CCCC2)cnc1Cl ZINC000846011318 636129068 /nfs/dbraw/zinc/12/90/68/636129068.db2.gz RZNPOUFOKHMXJE-UHFFFAOYSA-N 1 1 263.772 3.217 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H](OC(C)C)C2)cc1 ZINC000846013341 636129118 /nfs/dbraw/zinc/12/91/18/636129118.db2.gz ALTUJUFSSQRFAR-QGZVFWFLSA-N 1 1 257.377 3.057 20 30 CGEDMO N#CC1(C[NH2+][C@@H]2CCCc3cccnc32)CCCC1 ZINC000846009658 636129240 /nfs/dbraw/zinc/12/92/40/636129240.db2.gz ABRSXHIDLBBSCI-CQSZACIVSA-N 1 1 255.365 3.133 20 30 CGEDMO CC[C@@H]1C[C@@H](C[N@@H+]2Cc3cccc(C#N)c3C2)CCO1 ZINC000846117345 636146616 /nfs/dbraw/zinc/14/66/16/636146616.db2.gz NHYHZZSGUOLLJK-XJKSGUPXSA-N 1 1 270.376 3.079 20 30 CGEDMO CC[C@@H]1C[C@@H](C[N@H+]2Cc3cccc(C#N)c3C2)CCO1 ZINC000846117345 636146618 /nfs/dbraw/zinc/14/66/18/636146618.db2.gz NHYHZZSGUOLLJK-XJKSGUPXSA-N 1 1 270.376 3.079 20 30 CGEDMO Cc1cc(C#N)ccc1NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000846749956 636223204 /nfs/dbraw/zinc/22/32/04/636223204.db2.gz IXUPDNWIQBBXNY-MRXNPFEDSA-N 1 1 271.408 3.257 20 30 CGEDMO C#C[C@H]1CCC[N@H+](C[C@H](OC)c2ccc(Cl)cc2)C1 ZINC000847020211 636312622 /nfs/dbraw/zinc/31/26/22/636312622.db2.gz XIMKQDFEMRRJHC-BBRMVZONSA-N 1 1 277.795 3.373 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(OC)ccc2Cl)C1 ZINC000847020050 636312647 /nfs/dbraw/zinc/31/26/47/636312647.db2.gz VYHYDKZFHISYAY-GFCCVEGCSA-N 1 1 263.768 3.194 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccccc2OC(C)C)C1 ZINC000847024730 636315830 /nfs/dbraw/zinc/31/58/30/636315830.db2.gz SAMLXUSXBJQSTJ-HNNXBMFYSA-N 1 1 257.377 3.319 20 30 CGEDMO C#C[C@H]1CCC[N@@H+]([C@@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC000847027737 636316569 /nfs/dbraw/zinc/31/65/69/636316569.db2.gz WLMBXSDLPDWQNI-GJZGRUSLSA-N 1 1 295.386 3.451 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC000847027737 636316573 /nfs/dbraw/zinc/31/65/73/636316573.db2.gz WLMBXSDLPDWQNI-GJZGRUSLSA-N 1 1 295.386 3.451 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000847026366 636317431 /nfs/dbraw/zinc/31/74/31/636317431.db2.gz YBJLWBKSUZDDQA-AWEZNQCLSA-N 1 1 266.344 3.187 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000847026366 636317434 /nfs/dbraw/zinc/31/74/34/636317434.db2.gz YBJLWBKSUZDDQA-AWEZNQCLSA-N 1 1 266.344 3.187 20 30 CGEDMO C[C@H](CCC#N)[NH2+][C@@H](Cc1ccccc1)c1ncco1 ZINC000847099861 636336054 /nfs/dbraw/zinc/33/60/54/636336054.db2.gz UYDKGKNVFMGEJR-HIFRSBDPSA-N 1 1 269.348 3.240 20 30 CGEDMO CC[N@H+]1CC[C@H]1CNc1cccc(C(F)F)c1C#N ZINC000882959783 636480235 /nfs/dbraw/zinc/48/02/35/636480235.db2.gz PWDKKBPYSARMAI-JTQLQIEISA-N 1 1 265.307 3.002 20 30 CGEDMO C=CCCC[C@@H]([NH2+]Cc1nncn1CC)c1ccccc1 ZINC000883173306 636566241 /nfs/dbraw/zinc/56/62/41/636566241.db2.gz HYQIWTVTFSRNRB-MRXNPFEDSA-N 1 1 284.407 3.485 20 30 CGEDMO CC1(C)CCC[C@@H]1NN=C1CCC[N@H+]2CCCC[C@H]12 ZINC000848410049 636569824 /nfs/dbraw/zinc/56/98/24/636569824.db2.gz HDPFMEJZIVJWHZ-CABCVRRESA-N 1 1 263.429 3.159 20 30 CGEDMO C=CCC[C@@H]([NH2+]Cc1nc2ccc(C)cc2[nH]1)[C@H]1CCCO1 ZINC000883194375 636578300 /nfs/dbraw/zinc/57/83/00/636578300.db2.gz UQJCYRQELRDSTJ-NVXWUHKLSA-N 1 1 299.418 3.475 20 30 CGEDMO C[C@H](CNCc1ccc(C(C)(C)C#N)cc1)[NH+]1CCCCC1 ZINC000848528690 636590442 /nfs/dbraw/zinc/59/04/42/636590442.db2.gz NNOFZDAOQKDSLH-MRXNPFEDSA-N 1 1 299.462 3.452 20 30 CGEDMO C=CCC[C@H]([NH2+]CCc1ccc2cn[nH]c2c1)[C@H]1CCCO1 ZINC000883220062 636594302 /nfs/dbraw/zinc/59/43/02/636594302.db2.gz DBDGIZNFQHEMKY-FUHWJXTLSA-N 1 1 299.418 3.209 20 30 CGEDMO C=CCC[C@@H]([NH2+]CCc1ccc2cn[nH]c2c1)[C@@H]1CCCO1 ZINC000883220061 636594588 /nfs/dbraw/zinc/59/45/88/636594588.db2.gz DBDGIZNFQHEMKY-AEFFLSMTSA-N 1 1 299.418 3.209 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@@H+]1CCCOc1ccc(C#N)cc1 ZINC000134970953 637059171 /nfs/dbraw/zinc/05/91/71/637059171.db2.gz BSESSDXEVNDRRY-UONOGXRCSA-N 1 1 258.365 3.057 20 30 CGEDMO COc1ccc(C[N@H+]2CCC3(CCCC3)C2)cc1C#N ZINC000135109244 637083973 /nfs/dbraw/zinc/08/39/73/637083973.db2.gz MHEXFPRQHNWRKH-UHFFFAOYSA-N 1 1 270.376 3.333 20 30 CGEDMO C=CCOCCC[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000850532847 637109377 /nfs/dbraw/zinc/10/93/77/637109377.db2.gz YDSJFPKFOSMWHI-CQSZACIVSA-N 1 1 267.344 3.165 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)C[C@@H]1C[C@@]12CCOC2 ZINC000885932813 637318882 /nfs/dbraw/zinc/31/88/82/637318882.db2.gz CNQRGAPPTNMOPH-DZGCQCFKSA-N 1 1 263.406 3.163 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)C[C@H]1C[C@]12CCOC2 ZINC000885937580 637321590 /nfs/dbraw/zinc/32/15/90/637321590.db2.gz DCNODRPMZWYGCS-SJORKVTESA-N 1 1 257.377 3.101 20 30 CGEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@H]1C[C@@]12CCOC2 ZINC000885969137 637338004 /nfs/dbraw/zinc/33/80/04/637338004.db2.gz LFSVVTZPROMGLC-QZTJIDSGSA-N 1 1 284.403 3.195 20 30 CGEDMO C[C@@H](C[N@@H+](C)C[C@H](O)CC1(C#N)CCC1)c1ccccc1 ZINC000885981514 637341172 /nfs/dbraw/zinc/34/11/72/637341172.db2.gz HTFWZBUNDGXTSX-DOTOQJQBSA-N 1 1 286.419 3.167 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000886017369 637366179 /nfs/dbraw/zinc/36/61/79/637366179.db2.gz YXWQOMSKJIPLMN-LSDHHAIUSA-N 1 1 264.413 3.206 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000886017369 637366181 /nfs/dbraw/zinc/36/61/81/637366181.db2.gz YXWQOMSKJIPLMN-LSDHHAIUSA-N 1 1 264.413 3.206 20 30 CGEDMO C#CCOCC[N@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000851710073 637469539 /nfs/dbraw/zinc/46/95/39/637469539.db2.gz FESBVTMKNHADIV-CYBMUJFWSA-N 1 1 257.333 3.075 20 30 CGEDMO C=CC[N@@H+](C[C@H]1CCCN(C(=O)C(C)(C)C)C1)C(C)C ZINC000851731659 637481436 /nfs/dbraw/zinc/48/14/36/637481436.db2.gz WXHZBCZQEQFHMJ-OAHLLOKOSA-N 1 1 280.456 3.168 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@H+]2CC3CC2(c2ccccc2)C3)CCC1 ZINC000886289599 637486587 /nfs/dbraw/zinc/48/65/87/637486587.db2.gz YYSPVVSBSHDVLD-URSIVYNOSA-N 1 1 296.414 3.052 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cccc(C(=O)C(F)(F)F)c2)C1 ZINC000886366197 637515715 /nfs/dbraw/zinc/51/57/15/637515715.db2.gz ZFCPHJBCYFMGGA-LBPRGKRZSA-N 1 1 295.304 3.277 20 30 CGEDMO Cc1ccccc1[C@H](CO)[N@H+](C)Cc1cccc(C#N)c1F ZINC000886439497 637530786 /nfs/dbraw/zinc/53/07/86/637530786.db2.gz YWRVRKMHXBAHFO-KRWDZBQOSA-N 1 1 298.361 3.171 20 30 CGEDMO Cc1ccccc1[C@H](CO)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000886439497 637530794 /nfs/dbraw/zinc/53/07/94/637530794.db2.gz YWRVRKMHXBAHFO-KRWDZBQOSA-N 1 1 298.361 3.171 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+]Cc1ncc(-c2ccccc2F)o1 ZINC000852103146 637597723 /nfs/dbraw/zinc/59/77/23/637597723.db2.gz YLAYPPBPFBRPLU-INIZCTEOSA-N 1 1 272.323 3.372 20 30 CGEDMO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886605410 637600136 /nfs/dbraw/zinc/60/01/36/637600136.db2.gz PZGZSQQTBVDZEL-OZVIIMIRSA-N 1 1 279.355 3.163 20 30 CGEDMO CC[C@H](CC(F)F)C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000852211318 637617080 /nfs/dbraw/zinc/61/70/80/637617080.db2.gz RKVLVFKXDYOYMO-DOMZBBRYSA-N 1 1 296.361 3.205 20 30 CGEDMO N#C[C@]1(c2ccccn2)CCC[N@@H+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000852331335 637635826 /nfs/dbraw/zinc/63/58/26/637635826.db2.gz MHNVKYIIZJJWMC-SFNKJDCFSA-N 1 1 295.430 3.375 20 30 CGEDMO Cc1ccccc1C[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852326377 637635895 /nfs/dbraw/zinc/63/58/95/637635895.db2.gz NBKOISHECFLMNB-LJQANCHMSA-N 1 1 291.398 3.447 20 30 CGEDMO Cc1ccccc1C[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852326377 637635899 /nfs/dbraw/zinc/63/58/99/637635899.db2.gz NBKOISHECFLMNB-LJQANCHMSA-N 1 1 291.398 3.447 20 30 CGEDMO CC(C)([NH2+]Cc1cnc(Cl)cn1)c1cccc(C#N)c1 ZINC000852353537 637640494 /nfs/dbraw/zinc/64/04/94/637640494.db2.gz KYHXCMHXXMLSHC-UHFFFAOYSA-N 1 1 286.766 3.027 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](C[C@H](O)c2ccccc2C)C1 ZINC000852410038 637647247 /nfs/dbraw/zinc/64/72/47/637647247.db2.gz GJHDUWHIDITCRL-WBVHZDCISA-N 1 1 259.393 3.317 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](CC[C@H](O)c2ccccc2)C1 ZINC000852410894 637649017 /nfs/dbraw/zinc/64/90/17/637649017.db2.gz PXHKARQOHOYDSK-RDJZCZTQSA-N 1 1 259.393 3.398 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](C[C@@H](O)c2cc(F)ccc2F)C1 ZINC000852410920 637649961 /nfs/dbraw/zinc/64/99/61/637649961.db2.gz QGXYRAPRWHWCQM-MLGOLLRUSA-N 1 1 281.346 3.286 20 30 CGEDMO C#CCC[N@H+]1C[C@H](c2cccc(F)c2)OCC1(C)C ZINC000852550712 637676762 /nfs/dbraw/zinc/67/67/62/637676762.db2.gz LUFWQAWFLIQCRT-OAHLLOKOSA-N 1 1 261.340 3.001 20 30 CGEDMO C#CCC[N@@H+]1C[C@H](c2cccc(F)c2)OCC1(C)C ZINC000852550712 637676765 /nfs/dbraw/zinc/67/67/65/637676765.db2.gz LUFWQAWFLIQCRT-OAHLLOKOSA-N 1 1 261.340 3.001 20 30 CGEDMO N#Cc1ccc([C@@H](O)C[N@@H+](CCC2CC2)CC2CC2)cc1 ZINC000852718057 637699995 /nfs/dbraw/zinc/69/99/95/637699995.db2.gz RMSRGIWKUXXTSR-SFHVURJKSA-N 1 1 284.403 3.104 20 30 CGEDMO C[N@H+](Cc1ccc(OCC#N)cc1)C[C@@H]1CC1(C)C ZINC000852772867 637710148 /nfs/dbraw/zinc/71/01/48/637710148.db2.gz ROOZQGYFVFFUOA-AWEZNQCLSA-N 1 1 258.365 3.067 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccncc1C#N)c1ccc2c(c1)CCCO2 ZINC000852781297 637710808 /nfs/dbraw/zinc/71/08/08/637710808.db2.gz SLJMTAWGCQECDA-CYBMUJFWSA-N 1 1 293.370 3.129 20 30 CGEDMO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc2c(c1)CCCO2 ZINC000852780689 637711510 /nfs/dbraw/zinc/71/15/10/637711510.db2.gz AVOYJWFBGKQGAH-UONOGXRCSA-N 1 1 283.375 3.106 20 30 CGEDMO N#Cc1cnnc(Nc2ccc([NH+]3CCCCCC3)cc2)c1 ZINC000853093892 637754942 /nfs/dbraw/zinc/75/49/42/637754942.db2.gz UACWFBJSHZCASR-UHFFFAOYSA-N 1 1 293.374 3.472 20 30 CGEDMO C#Cc1cccnc1N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000853444231 637846027 /nfs/dbraw/zinc/84/60/27/637846027.db2.gz FQBYFDKCDRZEGO-QAPCUYQASA-N 1 1 291.398 3.138 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000853536213 637864292 /nfs/dbraw/zinc/86/42/92/637864292.db2.gz PLEHQVOIVVYPRM-AWEZNQCLSA-N 1 1 275.392 3.497 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cn2c(=O)sc3c2CCCC3)C1 ZINC000853537472 637865066 /nfs/dbraw/zinc/86/50/66/637865066.db2.gz YNFJNUXWINVIDS-CYBMUJFWSA-N 1 1 292.448 3.034 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cn2c(=O)sc3c2CCCC3)C1 ZINC000853537472 637865070 /nfs/dbraw/zinc/86/50/70/637865070.db2.gz YNFJNUXWINVIDS-CYBMUJFWSA-N 1 1 292.448 3.034 20 30 CGEDMO C=CCCCCCCCNC(=O)N(CC)[C@@H]1CC[N@@H+](C)C1 ZINC000854066910 637982799 /nfs/dbraw/zinc/98/27/99/637982799.db2.gz JYYTXHFDKBBJJG-MRXNPFEDSA-N 1 1 295.471 3.249 20 30 CGEDMO C=C1CC(C)(c2noc([C@@H]3CCC[N@H+]3C(C)C)n2)C1 ZINC000924124708 638302207 /nfs/dbraw/zinc/30/22/07/638302207.db2.gz HOJWAJXOLHEWES-LBPRGKRZSA-N 1 1 261.369 3.223 20 30 CGEDMO C=C1CC(C)(c2noc([C@@H]3CCC[N@@H+]3C(C)C)n2)C1 ZINC000924124708 638302215 /nfs/dbraw/zinc/30/22/15/638302215.db2.gz HOJWAJXOLHEWES-LBPRGKRZSA-N 1 1 261.369 3.223 20 30 CGEDMO CC(C)[C@@H](C[NH2+][C@H](C)CC(C)(C)C#N)N1CCCC1 ZINC000924634647 638380351 /nfs/dbraw/zinc/38/03/51/638380351.db2.gz ZTYVXXIQSXXBRG-HUUCEWRRSA-N 1 1 265.445 3.025 20 30 CGEDMO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H](CCN(C)C)C(C)(C)C ZINC000925086299 638448445 /nfs/dbraw/zinc/44/84/45/638448445.db2.gz NAGKJOWFCMCGEN-KBPBESRZSA-N 1 1 267.461 3.271 20 30 CGEDMO C=CC[C@@H](C)NC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857128133 638459762 /nfs/dbraw/zinc/45/97/62/638459762.db2.gz CJDHIAUHJLNSLF-RHSMWYFYSA-N 1 1 286.419 3.190 20 30 CGEDMO C#CC[C@H]([NH2+][C@H](C)c1cc(OC)no1)c1ccccc1 ZINC000925635401 638551760 /nfs/dbraw/zinc/55/17/60/638551760.db2.gz QSRMNODSUHJVQV-OCCSQVGLSA-N 1 1 270.332 3.098 20 30 CGEDMO N#CCc1ccc(CN[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1 ZINC000925704162 638572661 /nfs/dbraw/zinc/57/26/61/638572661.db2.gz IMHXOHDGRZOXTM-RBUKOAKNSA-N 1 1 297.446 3.011 20 30 CGEDMO Cc1ccc(O[C@@H]2CC[N@@H+](CCCC(C)(C)C#N)C2)nc1 ZINC000858034688 638620274 /nfs/dbraw/zinc/62/02/74/638620274.db2.gz CIXIHBABTDKFED-OAHLLOKOSA-N 1 1 287.407 3.173 20 30 CGEDMO N#CCCCC[N@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858046172 638622240 /nfs/dbraw/zinc/62/22/40/638622240.db2.gz IPYYIXOKCWTKCB-INIZCTEOSA-N 1 1 285.391 3.106 20 30 CGEDMO C#C[C@H]([NH2+][C@H](C)c1cc(-c2ccccc2)no1)[C@@H]1CCCO1 ZINC000926210893 638741520 /nfs/dbraw/zinc/74/15/20/638741520.db2.gz QRHDXPGLUJMNPH-KMFMINBZSA-N 1 1 296.370 3.173 20 30 CGEDMO C=C1CCC(C[NH2+][C@H]2CCN(CC)C[C@@H]2C)CC1 ZINC000926927167 638826660 /nfs/dbraw/zinc/82/66/60/638826660.db2.gz OXUGYNLELWCOQW-HOCLYGCPSA-N 1 1 250.430 3.053 20 30 CGEDMO N#CCCc1ccc(NC(=O)[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000928400821 638880720 /nfs/dbraw/zinc/88/07/20/638880720.db2.gz ITQHMSPFWGGRIY-QGZVFWFLSA-N 1 1 297.402 3.098 20 30 CGEDMO N#Cc1cncc(C[N@@H+](Cc2ccco2)C2CCCC2)c1 ZINC000929284593 638915055 /nfs/dbraw/zinc/91/50/55/638915055.db2.gz DLXFBOZBYDLQGK-UHFFFAOYSA-N 1 1 281.359 3.491 20 30 CGEDMO Cc1ccccc1OCCC[N@H+](C)Cc1cncc(C#N)c1 ZINC000929315087 638918272 /nfs/dbraw/zinc/91/82/72/638918272.db2.gz XFDVOKNACKDPNG-UHFFFAOYSA-N 1 1 295.386 3.163 20 30 CGEDMO C=C[C@H](CC)CC(=O)Nc1nc2c(s1)C[N@H+](CC)CC2 ZINC000929483394 638927513 /nfs/dbraw/zinc/92/75/13/638927513.db2.gz HPFYHQXOFXCRCI-LLVKDONJSA-N 1 1 293.436 3.062 20 30 CGEDMO C=C[C@H](CC)CC(=O)Nc1nc2c(s1)C[N@@H+](CC)CC2 ZINC000929483394 638927515 /nfs/dbraw/zinc/92/75/15/638927515.db2.gz HPFYHQXOFXCRCI-LLVKDONJSA-N 1 1 293.436 3.062 20 30 CGEDMO CCOC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000929642830 638936995 /nfs/dbraw/zinc/93/69/95/638936995.db2.gz AOIHUAKNVRHLCH-ZDUSSCGKSA-N 1 1 292.810 3.460 20 30 CGEDMO CC1(C)C[N@@H+](CCCCC2(C#N)CCC2)CCCO1 ZINC000929667447 638939144 /nfs/dbraw/zinc/93/91/44/638939144.db2.gz KFVRSVCGTSWBDG-UHFFFAOYSA-N 1 1 264.413 3.351 20 30 CGEDMO N#Cc1cncc(C[NH+]2CCC(c3ccccc3F)CC2)c1 ZINC000929673372 638939648 /nfs/dbraw/zinc/93/96/48/638939648.db2.gz NANBQHJWMQMSSD-UHFFFAOYSA-N 1 1 295.361 3.472 20 30 CGEDMO CCO[C@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000929680885 638940572 /nfs/dbraw/zinc/94/05/72/638940572.db2.gz YRECZNCTDHDBKI-HNNXBMFYSA-N 1 1 264.413 3.351 20 30 CGEDMO N#CC1(CCCCN2CC[C@H](C[NH+]3CCCC3)C2)CCC1 ZINC000929696991 638942440 /nfs/dbraw/zinc/94/24/40/638942440.db2.gz PPKBXXHQGCPXQS-QGZVFWFLSA-N 1 1 289.467 3.268 20 30 CGEDMO CC[N@H+](CCC#N)CCC1(C(=O)OC(C)(C)C)CCC1 ZINC000929774777 638949306 /nfs/dbraw/zinc/94/93/06/638949306.db2.gz FHFOPTWMFSOACR-UHFFFAOYSA-N 1 1 280.412 3.124 20 30 CGEDMO CC[N@@H+](CCC#N)CCC1(C(=O)OC(C)(C)C)CCC1 ZINC000929774777 638949308 /nfs/dbraw/zinc/94/93/08/638949308.db2.gz FHFOPTWMFSOACR-UHFFFAOYSA-N 1 1 280.412 3.124 20 30 CGEDMO C[N@@H+](CCC1CCOCC1)Cc1cc(Cl)cc(C#N)c1 ZINC000929824250 638954711 /nfs/dbraw/zinc/95/47/11/638954711.db2.gz DWWMWOYYWIWDIC-UHFFFAOYSA-N 1 1 292.810 3.460 20 30 CGEDMO CSC[C@H]1CCC[N@H+]1CC1CCC(C#N)CC1 ZINC000929852021 638957009 /nfs/dbraw/zinc/95/70/09/638957009.db2.gz BNSRAEFLGYTXOD-JXQTWKCFSA-N 1 1 252.427 3.144 20 30 CGEDMO N#CC1(CCCC[N@H+](CCO)C2CCCCC2)CCC1 ZINC000930061037 638971956 /nfs/dbraw/zinc/97/19/56/638971956.db2.gz PIKYCVLTJFLRQI-UHFFFAOYSA-N 1 1 278.440 3.478 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+](C)[C@H]1CCSC1 ZINC000930092950 638973586 /nfs/dbraw/zinc/97/35/86/638973586.db2.gz FZKUBYRHAIRAMT-AWEZNQCLSA-N 1 1 260.406 3.112 20 30 CGEDMO C#CC[C@@H]([NH2+]Cc1c(C)noc1CC)c1ccccc1 ZINC000930217185 638983753 /nfs/dbraw/zinc/98/37/53/638983753.db2.gz KKIXSSKBTSMFEQ-MRXNPFEDSA-N 1 1 268.360 3.400 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)C[C@H](C2CC2)O1 ZINC000930271284 638987438 /nfs/dbraw/zinc/98/74/38/638987438.db2.gz VUAQITBRFJCKSR-GDBMZVCRSA-N 1 1 276.424 3.350 20 30 CGEDMO C[C@@H](CO)[N@@H+](CCCCC1(C#N)CCC1)CC1CCC1 ZINC000930292775 638988790 /nfs/dbraw/zinc/98/87/90/638988790.db2.gz JNMLFEAQFNGUTI-HNNXBMFYSA-N 1 1 278.440 3.333 20 30 CGEDMO N#CC1(CCCC[N@@H+]2CCCCC[C@H]2CCO)CCC1 ZINC000930369491 638993566 /nfs/dbraw/zinc/99/35/66/638993566.db2.gz CKDIPGNILLZTSN-INIZCTEOSA-N 1 1 278.440 3.478 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H](N2CCCC2)[C@@H]1C ZINC000930482531 639007864 /nfs/dbraw/zinc/00/78/64/639007864.db2.gz NHBQGPLXTBPDDC-LPHOPBHVSA-N 1 1 297.446 3.234 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@H](N2CCCC2)[C@@H]1C ZINC000930482531 639007869 /nfs/dbraw/zinc/00/78/69/639007869.db2.gz NHBQGPLXTBPDDC-LPHOPBHVSA-N 1 1 297.446 3.234 20 30 CGEDMO CS[C@H]1CC[N@@H+](Cc2c(C)cc(C#N)cc2C)C1 ZINC000930610524 639036904 /nfs/dbraw/zinc/03/69/04/639036904.db2.gz QIPCNUATHMPNJF-AWEZNQCLSA-N 1 1 260.406 3.112 20 30 CGEDMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)Cc1cncc(C#N)c1 ZINC000930702354 639056558 /nfs/dbraw/zinc/05/65/58/639056558.db2.gz NVFMTNJAGPTAHQ-CYBMUJFWSA-N 1 1 283.350 3.155 20 30 CGEDMO C=CC[N@H+](CC(=O)c1c[nH]c2ccc(F)cc12)C(C)C ZINC000859080458 639073624 /nfs/dbraw/zinc/07/36/24/639073624.db2.gz KRYVCLWVPCYRJN-UHFFFAOYSA-N 1 1 274.339 3.386 20 30 CGEDMO C=CC[N@@H+](CC(=O)c1c[nH]c2ccc(F)cc12)C(C)C ZINC000859080458 639073631 /nfs/dbraw/zinc/07/36/31/639073631.db2.gz KRYVCLWVPCYRJN-UHFFFAOYSA-N 1 1 274.339 3.386 20 30 CGEDMO CC[N@@H+](Cc1cc(Cl)cc(C#N)c1)[C@H]1CCCOC1 ZINC000930851995 639076540 /nfs/dbraw/zinc/07/65/40/639076540.db2.gz FBZUATVYTVRCPJ-HNNXBMFYSA-N 1 1 278.783 3.213 20 30 CGEDMO COc1ccc(F)cc1-c1cncc(C[NH2+][C@H](C)CC#N)c1 ZINC000930867580 639079987 /nfs/dbraw/zinc/07/99/87/639079987.db2.gz KPSWEFCCAZJJDK-GFCCVEGCSA-N 1 1 299.349 3.288 20 30 CGEDMO C=CC[N@@H+](Cc1cc(C(F)(F)F)n(C)n1)C(C)(C)C ZINC000931016779 639098327 /nfs/dbraw/zinc/09/83/27/639098327.db2.gz HOXRKHCQVVHDLL-UHFFFAOYSA-N 1 1 275.318 3.225 20 30 CGEDMO C=CC[N@H+](Cc1cc(C(F)(F)F)n(C)n1)C(C)(C)C ZINC000931016779 639098334 /nfs/dbraw/zinc/09/83/34/639098334.db2.gz HOXRKHCQVVHDLL-UHFFFAOYSA-N 1 1 275.318 3.225 20 30 CGEDMO C[C@@H]1[C@H](N(C)C)CC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000931046068 639102781 /nfs/dbraw/zinc/10/27/81/639102781.db2.gz SIKBMANMDURPPB-RHSMWYFYSA-N 1 1 285.435 3.012 20 30 CGEDMO C[C@@H]1[C@H](N(C)C)CC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000931046068 639102784 /nfs/dbraw/zinc/10/27/84/639102784.db2.gz SIKBMANMDURPPB-RHSMWYFYSA-N 1 1 285.435 3.012 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCSc1ccncc1 ZINC000931063991 639105611 /nfs/dbraw/zinc/10/56/11/639105611.db2.gz YIZNMMGMQHJNML-OKILXGFUSA-N 1 1 260.406 3.357 20 30 CGEDMO C#CCCCCCC[N@H+]1[C@H](C)C[C@@H](C(=O)OC)C[C@@H]1C ZINC000931338238 639137653 /nfs/dbraw/zinc/13/76/53/639137653.db2.gz PMCWLZFPMBFOQH-MUJYYYPQSA-N 1 1 279.424 3.232 20 30 CGEDMO N#CCCC[N@H+]1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC000931365507 639140973 /nfs/dbraw/zinc/14/09/73/639140973.db2.gz GWVKXOWMBQEYQD-CYBMUJFWSA-N 1 1 268.364 3.046 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000859444558 639141825 /nfs/dbraw/zinc/14/18/25/639141825.db2.gz SMKCEXXRCVNPEE-IUODEOHRSA-N 1 1 265.784 3.271 20 30 CGEDMO COc1ccc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)cc1C ZINC000931475852 639157440 /nfs/dbraw/zinc/15/74/40/639157440.db2.gz MZQCFAHFOGRKAM-LSDHHAIUSA-N 1 1 258.365 3.128 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)cc1C ZINC000931475852 639157445 /nfs/dbraw/zinc/15/74/45/639157445.db2.gz MZQCFAHFOGRKAM-LSDHHAIUSA-N 1 1 258.365 3.128 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000931506461 639161718 /nfs/dbraw/zinc/16/17/18/639161718.db2.gz ZSEAFSUUSVJYAQ-QRQLOZEOSA-N 1 1 298.430 3.301 20 30 CGEDMO C[N@@H+](CCSc1ccncc1)CCc1cccc(C#N)c1 ZINC000931507743 639161733 /nfs/dbraw/zinc/16/17/33/639161733.db2.gz CWRPXTZWTHIFOD-UHFFFAOYSA-N 1 1 297.427 3.220 20 30 CGEDMO CC(C)(C#N)CC[N@@H+]1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC000931795794 639207991 /nfs/dbraw/zinc/20/79/91/639207991.db2.gz JBXZIHOMTQRTCG-QGZVFWFLSA-N 1 1 294.402 3.297 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC000931795794 639207997 /nfs/dbraw/zinc/20/79/97/639207997.db2.gz JBXZIHOMTQRTCG-QGZVFWFLSA-N 1 1 294.402 3.297 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)c(F)c1 ZINC000931932939 639237124 /nfs/dbraw/zinc/23/71/24/639237124.db2.gz FBLWBYJJCJFSOK-PKOBYXMFSA-N 1 1 292.357 3.471 20 30 CGEDMO N#C[C@H]1CCC[N@H+](CCCCOc2ccccc2)C1 ZINC000932156463 639278339 /nfs/dbraw/zinc/27/83/39/639278339.db2.gz FSYWUOZUFAWTJB-OAHLLOKOSA-N 1 1 258.365 3.081 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](CCCCOc2ccccc2)C1 ZINC000932156463 639278346 /nfs/dbraw/zinc/27/83/46/639278346.db2.gz FSYWUOZUFAWTJB-OAHLLOKOSA-N 1 1 258.365 3.081 20 30 CGEDMO CC(C)(C)OC[C@@H]1CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000932168929 639284227 /nfs/dbraw/zinc/28/42/27/639284227.db2.gz WGPSPNQZTFFRNF-INIZCTEOSA-N 1 1 272.392 3.338 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000932198148 639294403 /nfs/dbraw/zinc/29/44/03/639294403.db2.gz JECDAKPEQLQQOR-ZDUSSCGKSA-N 1 1 250.411 3.364 20 30 CGEDMO C/C=C/C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000860182834 639303797 /nfs/dbraw/zinc/30/37/97/639303797.db2.gz UEIVRBXFKIGHAP-OTUKTJHOSA-N 1 1 284.403 3.270 20 30 CGEDMO C/C=C/C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000860182831 639304056 /nfs/dbraw/zinc/30/40/56/639304056.db2.gz UEIVRBXFKIGHAP-FFFWVMEBSA-N 1 1 284.403 3.270 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000932697614 639374852 /nfs/dbraw/zinc/37/48/52/639374852.db2.gz UBDXATFDNSFKTP-CQSZACIVSA-N 1 1 282.428 3.189 20 30 CGEDMO C=C(Br)C[N@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933075886 639413252 /nfs/dbraw/zinc/41/32/52/639413252.db2.gz COYFDDNKRNCMDU-CYBMUJFWSA-N 1 1 288.229 3.034 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@H](Cc2nc(C)cs2)C1 ZINC000933129248 639421736 /nfs/dbraw/zinc/42/17/36/639421736.db2.gz KBDHWBXYFIDPRB-CYBMUJFWSA-N 1 1 250.411 3.282 20 30 CGEDMO C[C@@H](c1ncccn1)[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000933606925 639468379 /nfs/dbraw/zinc/46/83/79/639468379.db2.gz MJCZQLGKDUHLLQ-AWEZNQCLSA-N 1 1 292.386 3.289 20 30 CGEDMO Cc1cnc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)o1 ZINC000933608343 639468519 /nfs/dbraw/zinc/46/85/19/639468519.db2.gz YTNFLKWHCTVUNP-UHFFFAOYSA-N 1 1 281.359 3.234 20 30 CGEDMO COC1(CC[N@@H+](C)Cc2cc(C#N)cs2)CCC1 ZINC000933771368 639489653 /nfs/dbraw/zinc/48/96/53/639489653.db2.gz FVKUCWLJXNBUNQ-UHFFFAOYSA-N 1 1 264.394 3.011 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1CCC(=O)N1CCCc2ccccc21 ZINC000934463520 639611857 /nfs/dbraw/zinc/61/18/57/639611857.db2.gz JGWOVUBMTYAVPZ-INIZCTEOSA-N 1 1 284.403 3.006 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1cccc(C(=O)OC)c1Cl ZINC000934460864 639611950 /nfs/dbraw/zinc/61/19/50/639611950.db2.gz SDWYYEDBLZUJTF-GFCCVEGCSA-N 1 1 279.767 3.277 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1cccc(C(=O)OC)c1Cl ZINC000934460864 639611957 /nfs/dbraw/zinc/61/19/57/639611957.db2.gz SDWYYEDBLZUJTF-GFCCVEGCSA-N 1 1 279.767 3.277 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1nc(-c2ccc(C)cc2)no1 ZINC000934472176 639614886 /nfs/dbraw/zinc/61/48/86/639614886.db2.gz PIYZDVHVGNAJBS-AWEZNQCLSA-N 1 1 269.348 3.195 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1nc(-c2ccc(C)cc2)no1 ZINC000934472176 639614893 /nfs/dbraw/zinc/61/48/93/639614893.db2.gz PIYZDVHVGNAJBS-AWEZNQCLSA-N 1 1 269.348 3.195 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000934469850 639615989 /nfs/dbraw/zinc/61/59/89/639615989.db2.gz IHNKXLWODMYLFZ-AEFFLSMTSA-N 1 1 298.430 3.221 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1cc(F)ccc1C ZINC000934473459 639617164 /nfs/dbraw/zinc/61/71/64/639617164.db2.gz YNXZSXGAUFHPPD-JSGCOSHPSA-N 1 1 276.355 3.112 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1cc(F)ccc1C ZINC000934473459 639617170 /nfs/dbraw/zinc/61/71/70/639617170.db2.gz YNXZSXGAUFHPPD-JSGCOSHPSA-N 1 1 276.355 3.112 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccccc1C#N)c1cnn(CC2CCC2)c1 ZINC000934552481 639629789 /nfs/dbraw/zinc/62/97/89/639629789.db2.gz PSHCAJXXCZISJY-CQSZACIVSA-N 1 1 294.402 3.406 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1ccc(Br)nc1N ZINC000934645755 639648043 /nfs/dbraw/zinc/64/80/43/639648043.db2.gz AGOVDLKFDIWXEA-UHFFFAOYSA-N 1 1 298.228 3.214 20 30 CGEDMO C=CCCC[N@H+](CC)CC1CCC2(CC1)OCCO2 ZINC000934645507 639648061 /nfs/dbraw/zinc/64/80/61/639648061.db2.gz RZADWNZXPMTIIC-UHFFFAOYSA-N 1 1 267.413 3.208 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000934838418 639685767 /nfs/dbraw/zinc/68/57/67/639685767.db2.gz PDTBPXHFLSBMHV-MSOLQXFVSA-N 1 1 284.403 3.197 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000934838420 639688443 /nfs/dbraw/zinc/68/84/43/639688443.db2.gz PDTBPXHFLSBMHV-ROUUACIJSA-N 1 1 284.403 3.197 20 30 CGEDMO C#CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000155922265 639957737 /nfs/dbraw/zinc/95/77/37/639957737.db2.gz VKQDAEVQAJPPGI-UHFFFAOYSA-N 1 1 272.348 3.015 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CCSC[C@H](C)C2)cc1 ZINC000190848358 640272031 /nfs/dbraw/zinc/27/20/31/640272031.db2.gz LMGCOLDKOCJFPC-OAHLLOKOSA-N 1 1 289.444 3.274 20 30 CGEDMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000246012935 640652003 /nfs/dbraw/zinc/65/20/03/640652003.db2.gz LGTGHAGKBPAJMJ-BMGDILEWSA-N 1 1 286.419 3.492 20 30 CGEDMO C#CCOc1ccc(C[N@@H+](CC)Cc2ccoc2)cc1 ZINC000092935901 640751985 /nfs/dbraw/zinc/75/19/85/640751985.db2.gz YTVZSEFGMMOLSM-UHFFFAOYSA-N 1 1 269.344 3.314 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OCCOC)cc1)C1CCCC1 ZINC000093819830 640782695 /nfs/dbraw/zinc/78/26/95/640782695.db2.gz JYYGYZXAHBQCBW-UHFFFAOYSA-N 1 1 287.403 3.090 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(Cl)c2C)C1 ZINC001007397345 640940595 /nfs/dbraw/zinc/94/05/95/640940595.db2.gz RZFBDPSWIUNDAK-CYBMUJFWSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2csc(C)c2C)C1 ZINC001007412832 640942223 /nfs/dbraw/zinc/94/22/23/640942223.db2.gz OTVWXSOTHSHGEV-AWEZNQCLSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)C2CCC3(CC3)CC2)C1 ZINC001007974125 640945034 /nfs/dbraw/zinc/94/50/34/640945034.db2.gz UYKLVAZSZDNJRE-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C2(C3CC3)CCC2)C1 ZINC001008078930 640946839 /nfs/dbraw/zinc/94/68/39/640946839.db2.gz QTKJDISUIAKACN-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C)c(Cl)c2)C1 ZINC001008385661 640949528 /nfs/dbraw/zinc/94/95/28/640949528.db2.gz OINRKZPELZPVJR-AWEZNQCLSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2scc(C)c2Cl)C1 ZINC001014549374 640973672 /nfs/dbraw/zinc/97/36/72/640973672.db2.gz LGRGHYZIFFHCFO-LLVKDONJSA-N 1 1 298.839 3.090 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)C2(C3CCCCC3)CC2)C1 ZINC001016128692 640992211 /nfs/dbraw/zinc/99/22/11/640992211.db2.gz NIKWYXXTTNWGJS-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC001016098498 640992986 /nfs/dbraw/zinc/99/29/86/640992986.db2.gz ZIRUSUKYIXCSIH-QGZVFWFLSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2cccc(C)c2C)C1 ZINC001016153488 640993126 /nfs/dbraw/zinc/99/31/26/640993126.db2.gz PHYFWGDYGOLOFV-MRXNPFEDSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C2CCC(CCCC)CC2)C1 ZINC001016191921 640994556 /nfs/dbraw/zinc/99/45/56/640994556.db2.gz YNOCDIGQYBWNEO-OFLPRAFFSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCCCC1 ZINC001017310503 641010455 /nfs/dbraw/zinc/01/04/55/641010455.db2.gz BGPVHCSYAVMGDZ-CALCHBBNSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[C@H]1C ZINC001017578930 641013105 /nfs/dbraw/zinc/01/31/05/641013105.db2.gz XTRLVJSJBPEUIZ-TWMKSMIVSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C1CCC1 ZINC001017655737 641014451 /nfs/dbraw/zinc/01/44/51/641014451.db2.gz IOLTZTYONXDZFH-BHYGNILZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC1(C)C ZINC001017828395 641017560 /nfs/dbraw/zinc/01/75/60/641017560.db2.gz VBXFYKVMOLSMTF-OWCLPIDISA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1CC ZINC001017860794 641017821 /nfs/dbraw/zinc/01/78/21/641017821.db2.gz IWVLBINEQRHBOJ-CALCHBBNSA-N 1 1 298.430 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1CC ZINC001017860794 641017824 /nfs/dbraw/zinc/01/78/24/641017824.db2.gz IWVLBINEQRHBOJ-CALCHBBNSA-N 1 1 298.430 3.114 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cc(C)c(OC)nc1OC ZINC001250342723 805585332 /nfs/dbraw/zinc/58/53/32/805585332.db2.gz KTIMILIGJJMUTM-UHFFFAOYSA-N 1 1 278.396 3.195 20 30 CGEDMO CCOc1nccc(C[NH+]2CCC(S)CC2)c1Cl ZINC001250383549 805595141 /nfs/dbraw/zinc/59/51/41/805595141.db2.gz ZPGLWJMJDPYIMX-UHFFFAOYSA-N 1 1 286.828 3.028 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@](C)(CC)CCC ZINC001156035800 805644706 /nfs/dbraw/zinc/64/47/06/805644706.db2.gz HKXPUHNMAOTKKS-ZBFHGGJFSA-N 1 1 268.445 3.215 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)CCC1(C)CC1 ZINC001156156370 805660582 /nfs/dbraw/zinc/66/05/82/805660582.db2.gz GGVIZUGVEMPFPT-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@H](CC)CCC)C2 ZINC001257260047 807075872 /nfs/dbraw/zinc/07/58/72/807075872.db2.gz AOGHBACQGHTASR-IKGGRYGDSA-N 1 1 281.440 3.391 20 30 CGEDMO Cc1[nH]c2nc[nH+]c(N[C@H]3CC[C@H](C#N)CC3)c2c1C ZINC001157049588 805769335 /nfs/dbraw/zinc/76/93/35/805769335.db2.gz FMPYQSHQMKMUPT-HAQNSBGRSA-N 1 1 269.352 3.069 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCCC1(C)C ZINC001157190144 805787585 /nfs/dbraw/zinc/78/75/85/805787585.db2.gz CEVZCGWXZDPREH-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(C(C)C)s1 ZINC001157184495 805788330 /nfs/dbraw/zinc/78/83/30/805788330.db2.gz ZQSRQWXGYCVBMM-CYBMUJFWSA-N 1 1 294.464 3.498 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)CNC(=O)CC1CCC(C)(C)CC1 ZINC001157369801 805800882 /nfs/dbraw/zinc/80/08/82/805800882.db2.gz LLFLGPHIVWKWHK-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO N#Cc1c[nH]c2cc[nH+]c(N[C@H]3CCCc4cccnc43)c12 ZINC001157846769 805885521 /nfs/dbraw/zinc/88/55/21/805885521.db2.gz DGTIVTFIEAOLJX-AWEZNQCLSA-N 1 1 289.342 3.319 20 30 CGEDMO CC[C@H](C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C#CC(C)C ZINC001157940038 805905970 /nfs/dbraw/zinc/90/59/70/805905970.db2.gz QDRQHOUFORSBCN-DLBZAZTESA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C/C=C(\C)C=C ZINC001158350677 805945399 /nfs/dbraw/zinc/94/53/99/805945399.db2.gz WURWQWPYGXWIIP-ABPVARSCSA-N 1 1 290.451 3.398 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+]1CCC(=O)[C@@H](C)CC1 ZINC001252123215 806011023 /nfs/dbraw/zinc/01/10/23/806011023.db2.gz DQQJSSMZLBHZMG-HOTGVXAUSA-N 1 1 283.456 3.399 20 30 CGEDMO CCCCCCCC[C@@H](O)C[NH2+]C(C)(C)CCN(C)C ZINC001252133086 806018407 /nfs/dbraw/zinc/01/84/07/806018407.db2.gz FTVIINRAXQXGAA-MRXNPFEDSA-N 1 1 286.504 3.418 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+](CCC(=O)OC)C1CC1 ZINC001252132738 806018870 /nfs/dbraw/zinc/01/88/70/806018870.db2.gz KNWNWJOOLXXWNK-INIZCTEOSA-N 1 1 299.455 3.125 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)CC2CCCCC2)CC1 ZINC001159160942 806053995 /nfs/dbraw/zinc/05/39/95/806053995.db2.gz AUKNPZGEWJBZNW-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=C[C@@](C)(O)C[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC001252550518 806061860 /nfs/dbraw/zinc/06/18/60/806061860.db2.gz OGNRLTTWAGKPJI-CYBMUJFWSA-N 1 1 274.191 3.362 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC001252559515 806067045 /nfs/dbraw/zinc/06/70/45/806067045.db2.gz YGBKDSYBTMIQBE-AWEZNQCLSA-N 1 1 285.309 3.001 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC=C(CCNC(=O)/C(C)=C\C)CC1 ZINC001159760153 806166505 /nfs/dbraw/zinc/16/65/05/806166505.db2.gz MUYWYRSWGUASOJ-OBHDYHNASA-N 1 1 290.451 3.446 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+](C)Cc1ccccn1 ZINC001253227780 806184464 /nfs/dbraw/zinc/18/44/64/806184464.db2.gz MZKWOAPUFPHXKS-QGZVFWFLSA-N 1 1 276.424 3.401 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@H](OC)CC1 ZINC001253240497 806191838 /nfs/dbraw/zinc/19/18/38/806191838.db2.gz MLBQZWDZWVXMEA-IAGOWNOFSA-N 1 1 283.456 3.375 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCC[C@H]2C[C@H]21 ZINC001253242605 806192579 /nfs/dbraw/zinc/19/25/79/806192579.db2.gz NNXYVBJYFRECQW-HRCADAONSA-N 1 1 251.414 3.358 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCC[C@H](C#N)CC1 ZINC001253241609 806192720 /nfs/dbraw/zinc/19/27/20/806192720.db2.gz YGUYDFNYILEZRX-IRXDYDNUSA-N 1 1 278.440 3.500 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[NH2+]Cc1nccnc1Cl ZINC001253246900 806193602 /nfs/dbraw/zinc/19/36/02/806193602.db2.gz DLXQAUUKVFYWLE-CYBMUJFWSA-N 1 1 297.830 3.107 20 30 CGEDMO C#CCCCC(=O)NCCC1=CC[N@@H+](CCCCC)CC1 ZINC001159946045 806201889 /nfs/dbraw/zinc/20/18/89/806201889.db2.gz XWXVDEWATVIHEK-UHFFFAOYSA-N 1 1 290.451 3.119 20 30 CGEDMO Cc1nc(N[C@@H]2CCc3c2cccc3C#N)c(C)c(C)[nH+]1 ZINC001159918397 806197944 /nfs/dbraw/zinc/19/79/44/806197944.db2.gz AJGCGNYGXDKVLQ-MRXNPFEDSA-N 1 1 278.359 3.373 20 30 CGEDMO C=C[C@@H](O)C[N@H+](C)Cc1ccc(Oc2ccccc2)cc1 ZINC001253581061 806263079 /nfs/dbraw/zinc/26/30/79/806263079.db2.gz BIXIJELNZNNRBW-MRXNPFEDSA-N 1 1 283.371 3.458 20 30 CGEDMO C=C[C@H](O)C[N@H+](C)Cc1ccc(Oc2ccccc2)cc1 ZINC001253581031 806263134 /nfs/dbraw/zinc/26/31/34/806263134.db2.gz BIXIJELNZNNRBW-INIZCTEOSA-N 1 1 283.371 3.458 20 30 CGEDMO C=C[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1SC ZINC001253586009 806264935 /nfs/dbraw/zinc/26/49/35/806264935.db2.gz IEVWPOPRIYYAQH-GXTWGEPZSA-N 1 1 263.406 3.092 20 30 CGEDMO Cc1[nH+]c(NCCc2cc(F)cc(F)c2)ccc1CC#N ZINC001160575311 806284910 /nfs/dbraw/zinc/28/49/10/806284910.db2.gz XBDCEKONEBAOKQ-UHFFFAOYSA-N 1 1 287.313 3.389 20 30 CGEDMO C#CC[N@H+](Cc1ccc(Br)cc1)CC1CC1 ZINC001254033681 806331855 /nfs/dbraw/zinc/33/18/55/806331855.db2.gz UMDQYWRJNOWNDJ-UHFFFAOYSA-N 1 1 278.193 3.294 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCCC[C@H]2C)CC1 ZINC001161044552 806342507 /nfs/dbraw/zinc/34/25/07/806342507.db2.gz NCOYPEDOAYEKKE-NVXWUHKLSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)C(C)(C)CC)CC1 ZINC001161062742 806344197 /nfs/dbraw/zinc/34/41/97/806344197.db2.gz OWCBDHCPEDHIAY-UHFFFAOYSA-N 1 1 298.858 3.314 20 30 CGEDMO C=C(Cl)C[N@H+]1CC=C(CCNC(=O)C(C)(C)CC)CC1 ZINC001161062742 806344188 /nfs/dbraw/zinc/34/41/88/806344188.db2.gz OWCBDHCPEDHIAY-UHFFFAOYSA-N 1 1 298.858 3.314 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)[C@]2(C)CCC[C@@H]2C)CC1 ZINC001161126057 806352909 /nfs/dbraw/zinc/35/29/09/806352909.db2.gz NQLMQUJMCHWJBG-MAUKXSAKSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(Cl)C[N@H+]1CC=C(CCNC(=O)[C@H](C)C(C)C)CC1 ZINC001161369048 806369450 /nfs/dbraw/zinc/36/94/50/806369450.db2.gz LUNKBQYENBJNAC-CQSZACIVSA-N 1 1 298.858 3.169 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)[C@H](C)C(C)C)CC1 ZINC001161369048 806369459 /nfs/dbraw/zinc/36/94/59/806369459.db2.gz LUNKBQYENBJNAC-CQSZACIVSA-N 1 1 298.858 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@H](C)C(C)C)CC1 ZINC001161368178 806369507 /nfs/dbraw/zinc/36/95/07/806369507.db2.gz AZVKAADENZJQII-MRXNPFEDSA-N 1 1 292.467 3.383 20 30 CGEDMO C#CC[N@H+](C)C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254356996 806383212 /nfs/dbraw/zinc/38/32/12/806383212.db2.gz WLJBZIZOGWTDNV-UHFFFAOYSA-N 1 1 270.351 3.095 20 30 CGEDMO CCCC[N@H+](CCC#N)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254598002 806456706 /nfs/dbraw/zinc/45/67/06/806456706.db2.gz GBHBXLCVFQBBST-INIZCTEOSA-N 1 1 287.363 3.078 20 30 CGEDMO CCCC[N@@H+](CCC#N)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254598002 806456710 /nfs/dbraw/zinc/45/67/10/806456710.db2.gz GBHBXLCVFQBBST-INIZCTEOSA-N 1 1 287.363 3.078 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2nc3c(s2)C[C@H](C)CC3)C1 ZINC001254646098 806470483 /nfs/dbraw/zinc/47/04/83/806470483.db2.gz VAIRVSXAQSDFLX-OLZOCXBDSA-N 1 1 292.448 3.045 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2nc3c(s2)C[C@H](C)CC3)C1 ZINC001254646098 806470490 /nfs/dbraw/zinc/47/04/90/806470490.db2.gz VAIRVSXAQSDFLX-OLZOCXBDSA-N 1 1 292.448 3.045 20 30 CGEDMO C[N@@H+](Cc1ccccc1)C1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254668802 806479417 /nfs/dbraw/zinc/47/94/17/806479417.db2.gz LFNKVWYLIJXAML-IEBWSBKVSA-N 1 1 297.446 3.275 20 30 CGEDMO C#CC[N@H+]([C@@H]1CCc2ccccc21)[C@H]1CC[C@@H](C#N)C1 ZINC001254668787 806479979 /nfs/dbraw/zinc/47/99/79/806479979.db2.gz LCONOOSMDLPPIT-UWWQBHOKSA-N 1 1 264.372 3.301 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@@H+]2CCc3c4ccccc4oc3C2)C1 ZINC001254673675 806482964 /nfs/dbraw/zinc/48/29/64/806482964.db2.gz MYWUJDNRJTZEMW-CHWSQXEVSA-N 1 1 266.344 3.483 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCc3c4ccccc4oc3C2)C1 ZINC001254673675 806482970 /nfs/dbraw/zinc/48/29/70/806482970.db2.gz MYWUJDNRJTZEMW-CHWSQXEVSA-N 1 1 266.344 3.483 20 30 CGEDMO N#CCCN(C1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001255114212 806547021 /nfs/dbraw/zinc/54/70/21/806547021.db2.gz DIJAQFKKTWLELE-LJQANCHMSA-N 1 1 297.446 3.419 20 30 CGEDMO CC1(C#N)CN([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255136364 806551634 /nfs/dbraw/zinc/55/16/34/806551634.db2.gz KBTWWWHNUDFOCC-PIIMJCKOSA-N 1 1 295.430 3.027 20 30 CGEDMO CC[C@@H](CC#N)[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC001255153039 806555553 /nfs/dbraw/zinc/55/55/53/806555553.db2.gz OTQIMCYRUDSSKK-KBPBESRZSA-N 1 1 266.772 3.045 20 30 CGEDMO CC[C@H](CC#N)[N@H+](C)Cc1cccc2cccnc21 ZINC001255173186 806567190 /nfs/dbraw/zinc/56/71/90/806567190.db2.gz JDMAAZQZJQYZNE-OAHLLOKOSA-N 1 1 253.349 3.359 20 30 CGEDMO CC[C@H](CC#N)[N@@H+](C)Cc1cccc2cccnc21 ZINC001255173186 806567198 /nfs/dbraw/zinc/56/71/98/806567198.db2.gz JDMAAZQZJQYZNE-OAHLLOKOSA-N 1 1 253.349 3.359 20 30 CGEDMO CC[C@@H](CC#N)[N@@H+](Cc1ccccc1)[C@H](C)CC(=O)OC ZINC001255176474 806570173 /nfs/dbraw/zinc/57/01/73/806570173.db2.gz AYDCJLOEOXYWOZ-ZBFHGGJFSA-N 1 1 288.391 3.132 20 30 CGEDMO CC[C@H](CC#N)[N@@H+]1CCCc2ccc(OC)cc2C1 ZINC001255180282 806572647 /nfs/dbraw/zinc/57/26/47/806572647.db2.gz ZQJXXISDLILADV-OAHLLOKOSA-N 1 1 258.365 3.136 20 30 CGEDMO CC[C@H](CC#N)[N@H+]1CCCc2ccc(OC)cc2C1 ZINC001255180282 806572653 /nfs/dbraw/zinc/57/26/53/806572653.db2.gz ZQJXXISDLILADV-OAHLLOKOSA-N 1 1 258.365 3.136 20 30 CGEDMO N#C[C@@H]1CCCN1[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255399381 806632492 /nfs/dbraw/zinc/63/24/92/806632492.db2.gz QZJORXPQBAHBKM-ROUUACIJSA-N 1 1 283.419 3.029 20 30 CGEDMO C#C[C@H]1CCC[N@@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001255406067 806634990 /nfs/dbraw/zinc/63/49/90/806634990.db2.gz OZIOWKPEONTLIV-AZUAARDMSA-N 1 1 296.458 3.386 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@@H]2CCCN(Cc3ccccc3)CC2)C1 ZINC001255406067 806634994 /nfs/dbraw/zinc/63/49/94/806634994.db2.gz OZIOWKPEONTLIV-AZUAARDMSA-N 1 1 296.458 3.386 20 30 CGEDMO C[C@]1(C#N)CCN([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC001255409959 806635007 /nfs/dbraw/zinc/63/50/07/806635007.db2.gz OAMSXZZMPLGTHU-RTBURBONSA-N 1 1 297.446 3.277 20 30 CGEDMO CC[C@H](C)[N@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001257444064 807159206 /nfs/dbraw/zinc/15/92/06/807159206.db2.gz RIJGFBZYPGLGCD-BBRMVZONSA-N 1 1 258.365 3.200 20 30 CGEDMO Cc1[nH+]c(N[C@H]2CCCc3ccncc32)ccc1CC#N ZINC001163172374 806713406 /nfs/dbraw/zinc/71/34/06/806713406.db2.gz LGMZUJIPDBKMTJ-INIZCTEOSA-N 1 1 278.359 3.341 20 30 CGEDMO C#CC[N@@H+](C)CCCN[C@H](C)c1cc2ccccc2o1 ZINC000327970422 799248939 /nfs/dbraw/zinc/24/89/39/799248939.db2.gz FZLIIKKZFKPMQU-CQSZACIVSA-N 1 1 270.376 3.039 20 30 CGEDMO C#CC[N@H+](C)CCCN[C@H](C)c1cc2ccccc2o1 ZINC000327970422 799248943 /nfs/dbraw/zinc/24/89/43/799248943.db2.gz FZLIIKKZFKPMQU-CQSZACIVSA-N 1 1 270.376 3.039 20 30 CGEDMO C=CC[C@@H]1N(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1(C)C ZINC000356167931 799334519 /nfs/dbraw/zinc/33/45/19/799334519.db2.gz PKADMPGGRGZLKB-JYJNAYRXSA-N 1 1 292.467 3.310 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000384198012 799412845 /nfs/dbraw/zinc/41/28/45/799412845.db2.gz KGFLHSUDXSBXKN-ZDUSSCGKSA-N 1 1 266.728 3.140 20 30 CGEDMO C=C(Br)C[NH2+]Cc1cccc(C)c1F ZINC000384649137 799417045 /nfs/dbraw/zinc/41/70/45/799417045.db2.gz MSOFBJHDTAHYKZ-UHFFFAOYSA-N 1 1 258.134 3.132 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](Nc2ncc(C#N)cc2Cl)[C@H](C)C1 ZINC001163362035 806748216 /nfs/dbraw/zinc/74/82/16/806748216.db2.gz LYPVFHOYPQKFJJ-BXUZGUMPSA-N 1 1 292.814 3.137 20 30 CGEDMO C[C@H]1C[C@H](NCC#CC(C)(C)C)C[N@@H+]1Cc1ccccc1 ZINC000398175865 799528538 /nfs/dbraw/zinc/52/85/38/799528538.db2.gz VUDMAHIDVHSXQP-WMZOPIPTSA-N 1 1 284.447 3.289 20 30 CGEDMO C[C@H]1C[C@H](NCC#CC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000398175865 799528542 /nfs/dbraw/zinc/52/85/42/799528542.db2.gz VUDMAHIDVHSXQP-WMZOPIPTSA-N 1 1 284.447 3.289 20 30 CGEDMO C[N@@H+](CCCC(F)(F)F)Cc1ccc(C#N)cc1 ZINC000402756102 799563863 /nfs/dbraw/zinc/56/38/63/799563863.db2.gz XDLYILIDIUCVTN-UHFFFAOYSA-N 1 1 256.271 3.333 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC(C)(C)C#N ZINC000405149128 799581612 /nfs/dbraw/zinc/58/16/12/799581612.db2.gz FRCCMQVGANSZLD-DOTOQJQBSA-N 1 1 285.435 3.036 20 30 CGEDMO C[C@H](Cc1ccc(F)cc1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC001255875419 806778210 /nfs/dbraw/zinc/77/82/10/806778210.db2.gz KORDGKBRGKBRQK-HIFRSBDPSA-N 1 1 260.356 3.382 20 30 CGEDMO C[C@H](Cc1ccc(F)cc1)[N@H+]1CCC[C@H](CC#N)C1 ZINC001255875420 806778249 /nfs/dbraw/zinc/77/82/49/806778249.db2.gz KORDGKBRGKBRQK-UKRRQHHQSA-N 1 1 260.356 3.382 20 30 CGEDMO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000695862740 799836656 /nfs/dbraw/zinc/83/66/56/799836656.db2.gz GJNVBTVRUFOVGO-WMZOPIPTSA-N 1 1 299.462 3.426 20 30 CGEDMO CCc1nc(C[NH2+][C@H](C)CC(C)(C)C#N)cs1 ZINC000695860118 799836719 /nfs/dbraw/zinc/83/67/19/799836719.db2.gz SKPYHXIMVKLRHC-SNVBAGLBSA-N 1 1 251.399 3.123 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3nccs3)C2)c(F)c1 ZINC000710359998 800033276 /nfs/dbraw/zinc/03/32/76/800033276.db2.gz KUOJUZXUPNMHJI-ZDUSSCGKSA-N 1 1 287.363 3.143 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](c3nccs3)C2)c1 ZINC000710358431 800033672 /nfs/dbraw/zinc/03/36/72/800033672.db2.gz FCEKTBXNILUJEI-CQSZACIVSA-N 1 1 269.373 3.004 20 30 CGEDMO N#Cc1cccc(OCCC[N@@H+]2CCC[C@@H](CF)C2)c1 ZINC000711422918 800057499 /nfs/dbraw/zinc/05/74/99/800057499.db2.gz URVCDFUWRHLCJP-HNNXBMFYSA-N 1 1 276.355 3.009 20 30 CGEDMO C#C[C@H](CC)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716721305 800178876 /nfs/dbraw/zinc/17/88/76/800178876.db2.gz ZXZINZVTJHSOKR-MANSERQUSA-N 1 1 282.431 3.041 20 30 CGEDMO C#C[C@H](CC)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716721305 800178881 /nfs/dbraw/zinc/17/88/81/800178881.db2.gz ZXZINZVTJHSOKR-MANSERQUSA-N 1 1 282.431 3.041 20 30 CGEDMO CC(=O)C=C(C)Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cn1 ZINC001163737267 806813714 /nfs/dbraw/zinc/81/37/14/806813714.db2.gz SISJQDIQEWBYKT-ZVHGMHCTSA-N 1 1 287.407 3.361 20 30 CGEDMO CC(=O)CC(C)=Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cn1 ZINC001163737267 806813722 /nfs/dbraw/zinc/81/37/22/806813722.db2.gz SISJQDIQEWBYKT-ZVHGMHCTSA-N 1 1 287.407 3.361 20 30 CGEDMO CC(=O)CC(C)=Nc1ccc(C[N@@H+]2CCCC[C@@H]2C)cn1 ZINC001163737267 806813729 /nfs/dbraw/zinc/81/37/29/806813729.db2.gz SISJQDIQEWBYKT-ZVHGMHCTSA-N 1 1 287.407 3.361 20 30 CGEDMO C[C@@H]1[C@H](Nc2ccc(C#N)c(C(F)(F)F)c2)CC[N@H+]1C ZINC000719602557 800245750 /nfs/dbraw/zinc/24/57/50/800245750.db2.gz OSVYWDQRVLQGCB-NOZJJQNGSA-N 1 1 283.297 3.082 20 30 CGEDMO CC(C)(O)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000719643091 800247670 /nfs/dbraw/zinc/24/76/70/800247670.db2.gz PLBYVHDMWJOZIF-CQSZACIVSA-N 1 1 292.810 3.195 20 30 CGEDMO N#Cc1sc(Nc2ccc3[nH+]ccn3c2)nc1Cl ZINC001163769266 806821992 /nfs/dbraw/zinc/82/19/92/806821992.db2.gz IRGBUAPOLKSSBM-UHFFFAOYSA-N 1 1 275.724 3.059 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)Cc2ccc(OC)c(OC)c2)cc1 ZINC000809541694 800443142 /nfs/dbraw/zinc/44/31/42/800443142.db2.gz NUJWOMLLULXIAA-UHFFFAOYSA-N 1 1 295.382 3.317 20 30 CGEDMO COc1cccc(C[C@@H](C)[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1 ZINC001256166217 806843065 /nfs/dbraw/zinc/84/30/65/806843065.db2.gz APRHFRFTWATYKN-DZUCGIPZSA-N 1 1 284.403 3.393 20 30 CGEDMO C[C@H]([NH2+]Cc1nccc2c1CCCC2)c1cc(C#N)ccn1 ZINC000903181556 800594818 /nfs/dbraw/zinc/59/48/18/800594818.db2.gz KQOUYDYAGVPFQS-ZDUSSCGKSA-N 1 1 292.386 3.078 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1C[C@H](O)c1ccc(F)cc1Cl ZINC000934459176 800678650 /nfs/dbraw/zinc/67/86/50/800678650.db2.gz BYXIVBGOTJCUFF-RISCZKNCSA-N 1 1 269.747 3.163 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC3(C)C)CCC[C@@H]12 ZINC000992130815 800694808 /nfs/dbraw/zinc/69/48/08/800694808.db2.gz LXAZTOVAJZGLSD-IIDMSEBBSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(C)c2)C1 ZINC001023215598 800708621 /nfs/dbraw/zinc/70/86/21/800708621.db2.gz KQRSTKZANCXRQK-INIZCTEOSA-N 1 1 286.419 3.013 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC2(C)C)C1 ZINC001023547446 800711997 /nfs/dbraw/zinc/71/19/97/800711997.db2.gz MEMHAFJZBYVTBW-CVEARBPZSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1cscc1C ZINC001024376786 800727034 /nfs/dbraw/zinc/72/70/34/800727034.db2.gz AOLUQXDXDPQQHM-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)C1CC(C)(C)C1 ZINC001024427575 800727487 /nfs/dbraw/zinc/72/74/87/800727487.db2.gz LKFQZAZCWZIGLH-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(Cl)cc1 ZINC001024772313 800735575 /nfs/dbraw/zinc/73/55/75/800735575.db2.gz SZGGVWZNUCFRLU-OAHLLOKOSA-N 1 1 292.810 3.110 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCC ZINC001025192404 800747068 /nfs/dbraw/zinc/74/70/68/800747068.db2.gz PTQDLUDHYDJZBD-LSDHHAIUSA-N 1 1 298.858 3.385 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)C ZINC001025289870 800753905 /nfs/dbraw/zinc/75/39/05/800753905.db2.gz UOKVSTVATQSMHW-CABCVRRESA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cccs2)C1 ZINC001025329004 800757134 /nfs/dbraw/zinc/75/71/34/800757134.db2.gz MLSADSLYJUYBBH-UONOGXRCSA-N 1 1 292.448 3.155 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2sc(C)cc2C)C1 ZINC001027428911 800797173 /nfs/dbraw/zinc/79/71/73/800797173.db2.gz GBUHWSXFSZTICB-AWEZNQCLSA-N 1 1 292.448 3.087 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[C@H]([N@H+](C)CCC)C2)CC1 ZINC001027555621 800804477 /nfs/dbraw/zinc/80/44/77/800804477.db2.gz PQWQIHPYFOMXPU-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1 ZINC001027662738 800808515 /nfs/dbraw/zinc/80/85/15/800808515.db2.gz YJKNYZWXZUTGFK-KRWDZBQOSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C2CCC=CCC2)C1 ZINC001027683634 800810347 /nfs/dbraw/zinc/81/03/47/800810347.db2.gz MOEKELKCIFBOFG-QGZVFWFLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1occc1C(C)C ZINC001028095050 800831881 /nfs/dbraw/zinc/83/18/81/800831881.db2.gz ATNNALSGDYAAPA-AWEZNQCLSA-N 1 1 290.407 3.173 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1c(C)cccc1C ZINC001028157364 800834379 /nfs/dbraw/zinc/83/43/79/800834379.db2.gz IUUAOTWCOLHIJU-MRXNPFEDSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1C1CCC1 ZINC001028290503 800840432 /nfs/dbraw/zinc/84/04/32/800840432.db2.gz UAZCJIIYEWJPMC-MRXNPFEDSA-N 1 1 298.430 3.334 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(Cl)s1 ZINC001028302098 800840957 /nfs/dbraw/zinc/84/09/57/800840957.db2.gz XMVQVCQQOCJJAP-NSHDSACASA-N 1 1 298.839 3.172 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([C@H](C)CC)cc1 ZINC001028336332 800843151 /nfs/dbraw/zinc/84/31/51/800843151.db2.gz ATMVQICFXOZGKU-QAPCUYQASA-N 1 1 298.430 3.028 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)C1CC(C(C)(C)C)C1 ZINC001028344392 800843780 /nfs/dbraw/zinc/84/37/80/800843780.db2.gz DZESFZJWBDHHEC-GPANFISMSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001028563195 800851031 /nfs/dbraw/zinc/85/10/31/800851031.db2.gz YWQYNRFXFNYAJZ-IRXDYDNUSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CNC(=O)c2cc(Cl)cs2)C1 ZINC001028846965 800853481 /nfs/dbraw/zinc/85/34/81/800853481.db2.gz WNMSVWDKTSHIQP-LLVKDONJSA-N 1 1 298.839 3.029 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](CNC(=O)c2cccc(C3CCC3)c2)C1 ZINC001028927227 800855272 /nfs/dbraw/zinc/85/52/72/800855272.db2.gz XBDSHBWEAYWAAD-HNNXBMFYSA-N 1 1 298.430 3.192 20 30 CGEDMO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001029422653 800868104 /nfs/dbraw/zinc/86/81/04/800868104.db2.gz DZMJCSXLWFDPDS-CALCHBBNSA-N 1 1 298.430 3.074 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](N(Cc2ccccc2)C(C)=O)C1 ZINC001029917988 800878729 /nfs/dbraw/zinc/87/87/29/800878729.db2.gz UHVINMZTEMIVBP-SFHVURJKSA-N 1 1 286.419 3.076 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)c2scc(C)c2Cl)C1 ZINC001030363651 800892409 /nfs/dbraw/zinc/89/24/09/800892409.db2.gz HQUVGTKVGVTZCI-UHFFFAOYSA-N 1 1 298.839 3.090 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)c2cccc(C(C)C)c2)C1 ZINC001031198177 800904891 /nfs/dbraw/zinc/90/48/91/800904891.db2.gz WZJKOPLHXBOVLR-UHFFFAOYSA-N 1 1 286.419 3.190 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](C)CC ZINC001032422757 800927399 /nfs/dbraw/zinc/92/73/99/800927399.db2.gz KPMNEJJCJSYASX-UBHSHLNASA-N 1 1 298.858 3.096 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC1CCCCCC1 ZINC001032524745 800929319 /nfs/dbraw/zinc/92/93/19/800929319.db2.gz NKZRAJMFFHCRKW-IRXDYDNUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC1CCCCCC1 ZINC001032524745 800929324 /nfs/dbraw/zinc/92/93/24/800929324.db2.gz NKZRAJMFFHCRKW-IRXDYDNUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC1(C)C ZINC001032573846 800929984 /nfs/dbraw/zinc/92/99/84/800929984.db2.gz UIKANKSEWKNGNX-JYJNAYRXSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C(C)(C)C ZINC001032565508 800930562 /nfs/dbraw/zinc/93/05/62/800930562.db2.gz MCPUBXWRKWRVRN-GJZGRUSLSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2C)C1 ZINC001032877323 800942458 /nfs/dbraw/zinc/94/24/58/800942458.db2.gz PJUHCBDHVYSTQB-MRXNPFEDSA-N 1 1 286.419 3.108 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001033101375 800952180 /nfs/dbraw/zinc/95/21/80/800952180.db2.gz FOJCHBVANFURAU-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2coc3c2cccc3C)C1 ZINC001033154882 800954891 /nfs/dbraw/zinc/95/48/91/800954891.db2.gz QZXRPTLJOWZNSR-AWEZNQCLSA-N 1 1 298.386 3.074 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001033392955 800963092 /nfs/dbraw/zinc/96/30/92/800963092.db2.gz FLINUAXLLMLCTO-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)CC2CCCCCC2)C1 ZINC001033460013 800966187 /nfs/dbraw/zinc/96/61/87/800966187.db2.gz KBVFYNWJSIHWJZ-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2c(C)csc2Cl)C1 ZINC001033613834 800971917 /nfs/dbraw/zinc/97/19/17/800971917.db2.gz ODRDQVUZWDZOCB-NSHDSACASA-N 1 1 298.839 3.042 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)C2CCCC2)C1 ZINC001033728636 800979090 /nfs/dbraw/zinc/97/90/90/800979090.db2.gz VFHRIUGUTOVACE-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc(C)c2)C1 ZINC001033737554 800981252 /nfs/dbraw/zinc/98/12/52/800981252.db2.gz PXRSYVSIOSVDAN-QGZVFWFLSA-N 1 1 286.419 3.108 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C)o2)C1 ZINC001033753384 800981946 /nfs/dbraw/zinc/98/19/46/800981946.db2.gz WDLZGCHEKIMJAJ-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC2(C)C)C1 ZINC001033925463 800988768 /nfs/dbraw/zinc/98/87/68/800988768.db2.gz NYZSRBNSRADLAU-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001033952121 800991542 /nfs/dbraw/zinc/99/15/42/800991542.db2.gz MWAMNCQBXOQPEV-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2ccoc2CC)C1 ZINC001034185850 801009516 /nfs/dbraw/zinc/00/95/16/801009516.db2.gz WXVIGJNIJXOXAU-AWEZNQCLSA-N 1 1 290.407 3.002 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001034214559 801010869 /nfs/dbraw/zinc/01/08/69/801010869.db2.gz NYRJZGJDULGAEQ-ARFHVFGLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC23CC3)C1 ZINC001034271756 801015404 /nfs/dbraw/zinc/01/54/04/801015404.db2.gz IZFFMFFZMHLBEF-CVEARBPZSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CCCC[N@@H+](CC3CC3)C2)CC1 ZINC001034383452 801023845 /nfs/dbraw/zinc/02/38/45/801023845.db2.gz XXMNFXXANVGAAS-KRWDZBQOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)C2CCC(C)(C)CC2)C1 ZINC001034541700 801032049 /nfs/dbraw/zinc/03/20/49/801032049.db2.gz AWOUYTPEGXNEPA-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)C2CCC(C)(C)CC2)C1 ZINC001034541699 801032141 /nfs/dbraw/zinc/03/21/41/801032141.db2.gz AWOUYTPEGXNEPA-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C3CCCCC3)CC[C@@H]21 ZINC001036628418 801084870 /nfs/dbraw/zinc/08/48/70/801084870.db2.gz AMSQPWYPRXJYNE-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CC(C)(C)C)CC[C@@H]21 ZINC001036641364 801084982 /nfs/dbraw/zinc/08/49/82/801084982.db2.gz ZQDZCTVGCPPABE-KGLIPLIRSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)CC(C)(C)C)CC[C@@H]21 ZINC001036641363 801085059 /nfs/dbraw/zinc/08/50/59/801085059.db2.gz ZQDZCTVGCPPABE-KBPBESRZSA-N 1 1 298.858 3.098 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)C(C)C)CC[C@@H]21 ZINC001036725056 801089470 /nfs/dbraw/zinc/08/94/70/801089470.db2.gz QOAQCIHMCKHKRL-HOTGVXAUSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C(=C)C)CC[C@H]21 ZINC001036792125 801091354 /nfs/dbraw/zinc/09/13/54/801091354.db2.gz KNKJUPGJTJQVBB-HZPDHXFCSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CN(C(=O)c3ccc(C=C)cc3)CC[C@H]21 ZINC001036824662 801092820 /nfs/dbraw/zinc/09/28/20/801092820.db2.gz ASCSFQSKMGNDCA-ZWKOTPCHSA-N 1 1 296.414 3.052 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2occc2c1 ZINC001038290163 801123392 /nfs/dbraw/zinc/12/33/92/801123392.db2.gz XZZNXWILUBFPBG-MRXNPFEDSA-N 1 1 298.386 3.203 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(C2CCCC2)c1 ZINC001038913794 801136477 /nfs/dbraw/zinc/13/64/77/801136477.db2.gz LSGPLZZUOXMMLR-GOSISDBHSA-N 1 1 298.430 3.334 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(C2CCCC2)c1 ZINC001038913794 801136482 /nfs/dbraw/zinc/13/64/82/801136482.db2.gz LSGPLZZUOXMMLR-GOSISDBHSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1cccc2ccccc21 ZINC001038988527 801140382 /nfs/dbraw/zinc/14/03/82/801140382.db2.gz AIOIZKUPPODDEH-INIZCTEOSA-N 1 1 294.398 3.220 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1cc2cccc(C)c2o1 ZINC001039057431 801144628 /nfs/dbraw/zinc/14/46/28/801144628.db2.gz SFCUWVBRGDJGIO-OAHLLOKOSA-N 1 1 298.386 3.121 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C)C(C)C)CC2)C1 ZINC001039166703 801151168 /nfs/dbraw/zinc/15/11/68/801151168.db2.gz BKIUPOBFAZJICR-NVXWUHKLSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)/C(C)=C/C)C1 ZINC001039203247 801153207 /nfs/dbraw/zinc/15/32/07/801153207.db2.gz OZAWZRJOEPWKPC-DJKUPCSYSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC(C)(C)C)C1 ZINC001039194267 801153211 /nfs/dbraw/zinc/15/32/11/801153211.db2.gz YBSLMHQBZZKEIU-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C=C(C)C)C1 ZINC001039207202 801154694 /nfs/dbraw/zinc/15/46/94/801154694.db2.gz XPDDPBIWJYQVPZ-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC ZINC001039609379 801167032 /nfs/dbraw/zinc/16/70/32/801167032.db2.gz VGVHDAQUIVDSPU-OKILXGFUSA-N 1 1 298.858 3.240 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)CCC3CC3)C2)C1 ZINC001040123167 801172809 /nfs/dbraw/zinc/17/28/09/801172809.db2.gz IVZPFTCIXHLLJX-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)CC)C[C@H]21 ZINC001042208556 801203267 /nfs/dbraw/zinc/20/32/67/801203267.db2.gz SAQAKLVNDWVMDP-ZIAGYGMSSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)CC)C[C@H]21 ZINC001042208556 801203274 /nfs/dbraw/zinc/20/32/74/801203274.db2.gz SAQAKLVNDWVMDP-ZIAGYGMSSA-N 1 1 298.858 3.098 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C)cc3C)C[C@H]21 ZINC001042344135 801204574 /nfs/dbraw/zinc/20/45/74/801204574.db2.gz SYSIINDOCUIGNI-SJLPKXTDSA-N 1 1 298.430 3.026 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cc(C)ccc3C)C[C@H]21 ZINC001042334872 801204721 /nfs/dbraw/zinc/20/47/21/801204721.db2.gz HWKHOQGSZMKORK-FUHWJXTLSA-N 1 1 298.430 3.026 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(CC)CC)C[C@H]21 ZINC001042365520 801204743 /nfs/dbraw/zinc/20/47/43/801204743.db2.gz OQRAJRNPAPGPLL-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)CCC1CC1)C2 ZINC001045923592 801294241 /nfs/dbraw/zinc/29/42/41/801294241.db2.gz AXKSPRZYFRKELT-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)/C(C)=C\C)C2 ZINC001045930652 801295850 /nfs/dbraw/zinc/29/58/50/801295850.db2.gz PHRHIQSWAHFYQY-UUGSPAKMSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H](C)C(C)C)C2 ZINC001045970473 801296726 /nfs/dbraw/zinc/29/67/26/801296726.db2.gz GEKZFZRXMRUADE-SJLPKXTDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2sccc2Cl)C1 ZINC001046335508 801307714 /nfs/dbraw/zinc/30/77/14/801307714.db2.gz AYHJCHNXIWUFFK-CQSZACIVSA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001046755026 801323186 /nfs/dbraw/zinc/32/31/86/801323186.db2.gz VJSSERCIDYTHPH-DOTOQJQBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2cc3cccc(C)c3o2)C1 ZINC001046853757 801328940 /nfs/dbraw/zinc/32/89/40/801328940.db2.gz DRYRDAKBLGPMFK-GOSISDBHSA-N 1 1 298.386 3.121 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001046862762 801331112 /nfs/dbraw/zinc/33/11/12/801331112.db2.gz POKDBUJRYOTDET-CRAIPNDOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[N@@H+](CCC(C)C)C[C@@H]2C1 ZINC001048978201 801353629 /nfs/dbraw/zinc/35/36/29/801353629.db2.gz YPIBHEJXYHBMSU-IYBDPMFKSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC(C)(C)C ZINC001049327235 801364600 /nfs/dbraw/zinc/36/46/00/801364600.db2.gz NOULZFOCGNBVCC-CABCVRRESA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H](C)CC ZINC001049643773 801379480 /nfs/dbraw/zinc/37/94/80/801379480.db2.gz FUZJZGJPAJVMFH-ARFHVFGLSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CCC1 ZINC001049643490 801379993 /nfs/dbraw/zinc/37/99/93/801379993.db2.gz DTNVCEJPDLKIKO-HZPDHXFCSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(CC)(CC)CC ZINC001049815664 801388217 /nfs/dbraw/zinc/38/82/17/801388217.db2.gz QIBYBKNLBUZZOS-CVEARBPZSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1(CC)CCCC1 ZINC001049814821 801388401 /nfs/dbraw/zinc/38/84/01/801388401.db2.gz BCMKGUIHVHGNGD-HZPDHXFCSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccc(CC)cc1 ZINC001049875933 801391486 /nfs/dbraw/zinc/39/14/86/801391486.db2.gz NKRDVJXRHRSYKX-MSOLQXFVSA-N 1 1 298.430 3.114 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cc(C)cc(C)c3)[C@@H]2C1 ZINC001050192214 801399476 /nfs/dbraw/zinc/39/94/76/801399476.db2.gz ZFZWNWNOZIRHED-FUHWJXTLSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2ccccc2)CC1 ZINC001052169317 801421825 /nfs/dbraw/zinc/42/18/25/801421825.db2.gz LBRXSGPKPVFOHS-KRWDZBQOSA-N 1 1 286.419 3.237 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C)s2)CC1 ZINC001052165752 801421937 /nfs/dbraw/zinc/42/19/37/801421937.db2.gz RBGBSKYZTMKFRW-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2cc(C)oc2C)CC1 ZINC001052194003 801426238 /nfs/dbraw/zinc/42/62/38/801426238.db2.gz CEFHCFBHCIFECG-OAHLLOKOSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](NC(=O)c2ccc3occc3c2)CC1 ZINC001052401178 801434406 /nfs/dbraw/zinc/43/44/06/801434406.db2.gz JPCXNMFOOHQOKD-INIZCTEOSA-N 1 1 298.386 3.203 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C(C)(C)C2CCC2)CC1 ZINC001052591106 801439367 /nfs/dbraw/zinc/43/93/67/801439367.db2.gz NAHUJBVBLIWNNU-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C2(C)CCCC2)CC1 ZINC001052602568 801441095 /nfs/dbraw/zinc/44/10/95/801441095.db2.gz JAWRKVOXJGNHQH-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CC=CCC2)CC1 ZINC001052624658 801441721 /nfs/dbraw/zinc/44/17/21/801441721.db2.gz MXVIQCPWHWYOTA-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC2(C)C)CC1 ZINC001052637919 801443379 /nfs/dbraw/zinc/44/33/79/801443379.db2.gz QKCMLXQJQICSOD-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CC2CC(C)(C)C2)CC1 ZINC001052653092 801444878 /nfs/dbraw/zinc/44/48/78/801444878.db2.gz GGESCDWYEGGZGF-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+](CC(C)C)CC2)CC1 ZINC001052678663 801444976 /nfs/dbraw/zinc/44/49/76/801444976.db2.gz YZQXIJRAMDJRNC-QGZVFWFLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2occc2CC)CC1 ZINC001052686389 801447116 /nfs/dbraw/zinc/44/71/16/801447116.db2.gz JRJZGIKDFLCVAZ-HNNXBMFYSA-N 1 1 290.407 3.002 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C=C(C)C)C2)C1 ZINC001052997767 801460279 /nfs/dbraw/zinc/46/02/79/801460279.db2.gz SWYHVNVLUZQWJP-IAGOWNOFSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC(C)C)C1 ZINC001053062876 801465863 /nfs/dbraw/zinc/46/58/63/801465863.db2.gz DNAITMXXZPAAFT-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CC[C@@H](C)C3)cc2C1 ZINC001054284927 801483662 /nfs/dbraw/zinc/48/36/62/801483662.db2.gz LGFDXKLZGPVCMQ-ZBFHGGJFSA-N 1 1 298.430 3.241 20 30 CGEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CC[C@@H](C)C3)cc2C1 ZINC001054284927 801483666 /nfs/dbraw/zinc/48/36/66/801483666.db2.gz LGFDXKLZGPVCMQ-ZBFHGGJFSA-N 1 1 298.430 3.241 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2sccc2C)CC[C@@H]1C ZINC001071297609 801521396 /nfs/dbraw/zinc/52/13/96/801521396.db2.gz URLKRGWDJQTRNK-UONOGXRCSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2cc(C)oc2C)CC[C@H]1C ZINC001071334291 801530748 /nfs/dbraw/zinc/53/07/48/801530748.db2.gz DUWGLZIFZUBUML-IUODEOHRSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cscc2Cl)CC[C@@H]1C ZINC001071593669 801542496 /nfs/dbraw/zinc/54/24/96/801542496.db2.gz FJRCCLNHIUBTSU-QWRGUYRKSA-N 1 1 298.839 3.170 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)C2(C)CCCC2)CC[C@@H]1C ZINC001071714819 801547561 /nfs/dbraw/zinc/54/75/61/801547561.db2.gz BBMHNYUCNAMLBZ-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)CC2CC(C)(C)C2)CC[C@@H]1C ZINC001071761892 801549244 /nfs/dbraw/zinc/54/92/44/801549244.db2.gz FEMXVTWVIADLON-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2occc2Cl)CC[C@H]1C ZINC001071796558 801551279 /nfs/dbraw/zinc/55/12/79/801551279.db2.gz UAWKYERIDFEPSK-VXGBXAGGSA-N 1 1 296.798 3.092 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)CC[C@@H]1C ZINC001072004595 801559502 /nfs/dbraw/zinc/55/95/02/801559502.db2.gz BFJNHUKYDZGPJC-LUKYLMHMSA-N 1 1 292.467 3.358 20 30 CGEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2ccc(C(C)C)cc2)CC[C@H]1C ZINC001072011993 801561208 /nfs/dbraw/zinc/56/12/08/801561208.db2.gz HDNAHERPKRCGSF-QAPCUYQASA-N 1 1 298.430 3.026 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2ccccc2Cl)CC[C@@H]1C ZINC001072016574 801561336 /nfs/dbraw/zinc/56/13/36/801561336.db2.gz SMYXATGWHNKVPC-QWHCGFSZSA-N 1 1 292.810 3.109 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2cc(C)ccc2C)CC[C@H]1C ZINC001072031001 801561573 /nfs/dbraw/zinc/56/15/73/801561573.db2.gz ZKYZLJSBISKECK-HZPDHXFCSA-N 1 1 286.419 3.072 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccc(F)s2)CC[C@H]1C ZINC001072112623 801565053 /nfs/dbraw/zinc/56/50/53/801565053.db2.gz CVDWDLQKCCYGEI-NEPJUHHUSA-N 1 1 296.411 3.046 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CCCCCCC2)C1 ZINC001080099722 801650538 /nfs/dbraw/zinc/65/05/38/801650538.db2.gz XEBUODPUOJXFDF-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001080286842 801651983 /nfs/dbraw/zinc/65/19/83/801651983.db2.gz YMPUYOIZOOCYEA-OWCLPIDISA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC=C(C)C)C[C@H]21 ZINC001084573884 801668889 /nfs/dbraw/zinc/66/88/89/801668889.db2.gz FWSMJJNNVKAOJQ-HZPDHXFCSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)C(C)(C)C)C[C@@H]21 ZINC001084971808 801675252 /nfs/dbraw/zinc/67/52/52/801675252.db2.gz CJTTZHCTTVYQEK-XHSDSOJGSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CCC(C)C)CC1 ZINC001085801848 801705811 /nfs/dbraw/zinc/70/58/11/801705811.db2.gz DKVSQTDSWCOIMR-KRWDZBQOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+]2CC(=C)C)cc1 ZINC001085834020 801706877 /nfs/dbraw/zinc/70/68/77/801706877.db2.gz ZRHSLPCROKMMLI-KRWDZBQOSA-N 1 1 284.403 3.052 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(Cl)cc1 ZINC001085939627 801711529 /nfs/dbraw/zinc/71/15/29/801711529.db2.gz MRONBDXCVXLBLY-OAHLLOKOSA-N 1 1 292.810 3.062 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C12CCC(CC1)CC2 ZINC001085983947 801715743 /nfs/dbraw/zinc/71/57/43/801715743.db2.gz SBSDDFPRPOBZTC-PQUAAJSLSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC(C)(C)C1 ZINC001085990034 801717047 /nfs/dbraw/zinc/71/70/47/801717047.db2.gz FWEPSNPGVZRLNK-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1coc2ccccc21 ZINC001086000185 801718351 /nfs/dbraw/zinc/71/83/51/801718351.db2.gz CTHUAZBCIRLXOQ-CQSZACIVSA-N 1 1 298.386 3.155 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc2c(cccc2C)o1 ZINC001085991739 801718743 /nfs/dbraw/zinc/71/87/43/801718743.db2.gz UPOUUFWZWVBHNQ-CQSZACIVSA-N 1 1 298.386 3.074 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2c(cccc2C)o1 ZINC001085991739 801718747 /nfs/dbraw/zinc/71/87/47/801718747.db2.gz UPOUUFWZWVBHNQ-CQSZACIVSA-N 1 1 298.386 3.074 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2C=CCC2)[C@H]1CC ZINC001087496505 801751734 /nfs/dbraw/zinc/75/17/34/801751734.db2.gz BVPBWTRNTLNJBQ-YESZJQIVSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2=CCCCCC2)[C@H]1CC ZINC001087554079 801757011 /nfs/dbraw/zinc/75/70/11/801757011.db2.gz OMQGLRRQGFZQJF-JKSUJKDBSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccoc2CC)[C@H]1CC ZINC001087559141 801758161 /nfs/dbraw/zinc/75/81/61/801758161.db2.gz SFATXMLKUZWCBQ-LSDHHAIUSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC2(C)C)[C@H]1CC ZINC001087691745 801761918 /nfs/dbraw/zinc/76/19/18/801761918.db2.gz GMTSKLGDHLAETM-OWCLPIDISA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C2CC2)[C@H]1CC ZINC001087694592 801763279 /nfs/dbraw/zinc/76/32/79/801763279.db2.gz KYXIMIOKCNHXQB-JKSUJKDBSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CCC3CC3)[C@@H]2CC)C1 ZINC001087717483 801766278 /nfs/dbraw/zinc/76/62/78/801766278.db2.gz FGXBEWDHDNDGQC-JKSUJKDBSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC23CCCC3)[C@H]1CC ZINC001087785360 801767636 /nfs/dbraw/zinc/76/76/36/801767636.db2.gz DGMGJTVZEMQESX-OWCLPIDISA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cccc(Cl)c2C)[C@H]1C ZINC001088581355 801801509 /nfs/dbraw/zinc/80/15/09/801801509.db2.gz NQROJKDUFBAAQH-DOMZBBRYSA-N 1 1 292.810 3.027 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2csc(C)c2C)[C@H]1C ZINC001088590471 801805393 /nfs/dbraw/zinc/80/53/93/801805393.db2.gz DASCCAGISIAHJG-DOMZBBRYSA-N 1 1 292.448 3.134 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cc(C)ccc2C2CC2)[C@H]1C ZINC001088769773 801806270 /nfs/dbraw/zinc/80/62/70/801806270.db2.gz CVCFXEKWKBQJDY-KDOFPFPSSA-N 1 1 298.430 3.251 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](CCC3CC3)[C@@H]2C)CC1 ZINC001088838645 801811351 /nfs/dbraw/zinc/81/13/51/801811351.db2.gz URNUHCADPIRADF-PBHICJAKSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)c(C)s2)[C@H]1C ZINC001089025723 801819890 /nfs/dbraw/zinc/81/98/90/801819890.db2.gz WMDKHAVFLKFRHW-OCCSQVGLSA-N 1 1 292.448 3.134 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C)CC(C)(C)C1 ZINC001089545015 801841749 /nfs/dbraw/zinc/84/17/49/801841749.db2.gz FLTHDLABLMASSS-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccco1 ZINC001089595717 801843901 /nfs/dbraw/zinc/84/39/01/801843901.db2.gz NZPGJOXMXYGJKK-AWEZNQCLSA-N 1 1 290.407 3.076 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](CNC(=O)C2=CCCCCC2)[C@H](C)C1 ZINC001092566047 801861966 /nfs/dbraw/zinc/86/19/66/801861966.db2.gz DKNQIIPKOOQEDA-NVXWUHKLSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(F)=C1CCCC1)C2 ZINC001095308442 801882613 /nfs/dbraw/zinc/88/26/13/801882613.db2.gz OTLMXUJDCNEGOF-ILXRZTDVSA-N 1 1 292.398 3.082 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=CCCCCC1)C2 ZINC001095353176 801883888 /nfs/dbraw/zinc/88/38/88/801883888.db2.gz IFVZUXJQHKFUKW-IKGGRYGDSA-N 1 1 288.435 3.175 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1C=CCC1)C2 ZINC001096780122 801896062 /nfs/dbraw/zinc/89/60/62/801896062.db2.gz JFAURQSCTCQGQA-VQHPVUNQSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1C(C)C)C2 ZINC001097181147 801898780 /nfs/dbraw/zinc/89/87/80/801898780.db2.gz UHYQNITWLTWDBD-OLMNPRSZSA-N 1 1 298.430 3.331 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccccc2C)C1 ZINC001098707273 801911532 /nfs/dbraw/zinc/91/15/32/801911532.db2.gz BELSLQDHOQCGAD-LPHOPBHVSA-N 1 1 298.430 3.155 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCF ZINC001099092862 801927807 /nfs/dbraw/zinc/92/78/07/801927807.db2.gz JJBRYFHFVCFYQF-CQSZACIVSA-N 1 1 298.446 3.165 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCF ZINC001099092862 801927811 /nfs/dbraw/zinc/92/78/11/801927811.db2.gz JJBRYFHFVCFYQF-CQSZACIVSA-N 1 1 298.446 3.165 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC ZINC001099092617 801928296 /nfs/dbraw/zinc/92/82/96/801928296.db2.gz HJWAHRPYELFWNH-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCF ZINC001099251936 801934626 /nfs/dbraw/zinc/93/46/26/801934626.db2.gz PEYRCERZRBBLGB-AWEZNQCLSA-N 1 1 298.446 3.165 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCF ZINC001099251936 801934632 /nfs/dbraw/zinc/93/46/32/801934632.db2.gz PEYRCERZRBBLGB-AWEZNQCLSA-N 1 1 298.446 3.165 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)/C(C)=C\C)C[C@]2(C)C1 ZINC001101191936 801972849 /nfs/dbraw/zinc/97/28/49/801972849.db2.gz WLWMPNRWTJIFFD-QZQRUCDQSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)/C(C)=C\CC)C[C@]2(C)C1 ZINC001101155181 801974405 /nfs/dbraw/zinc/97/44/05/801974405.db2.gz LRMCHJLLKUQHEO-PFIJZOJMSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCCCC(=O)N1C[C@H]2C[N@H+](C[C@@H](C)CC)C[C@@]2(C)C1 ZINC001101346796 801978191 /nfs/dbraw/zinc/97/81/91/801978191.db2.gz IFIYYDYCPUYYRN-JZXOWHBKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](CNC(=O)C[C@H](C)C(C)C)[C@H](C)C1 ZINC001101808058 801992574 /nfs/dbraw/zinc/99/25/74/801992574.db2.gz RVOOWIHPOSBQKG-GVDBMIGSSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](CNC(=O)CC2=CCCCC2)[C@H](C)C1 ZINC001101821172 801992643 /nfs/dbraw/zinc/99/26/43/801992643.db2.gz RTBTUXHDXJAPTL-NVXWUHKLSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CCC(=C)C)[C@H](C)C1 ZINC001102011568 801997162 /nfs/dbraw/zinc/99/71/62/801997162.db2.gz FQTKRXIIJVEUJN-BRWVUGGUSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1C[N@@H+](C[C@H](C)CC)C[C@H]1C ZINC001102010486 801997279 /nfs/dbraw/zinc/99/72/79/801997279.db2.gz AVQZKHGNAFBUAW-BZUAXINKSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1C[N@H+](CCCCCF)C[C@H]1C ZINC001102011862 801998198 /nfs/dbraw/zinc/99/81/98/801998198.db2.gz UOOPNXPAUVBGFM-HZPDHXFCSA-N 1 1 298.446 3.167 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1C[N@@H+](CC/C=C\CC)C[C@H]1C ZINC001102011750 801998693 /nfs/dbraw/zinc/99/86/93/801998693.db2.gz OTPBDOVNSYPZNT-TZNMXKOXSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@](C)(F)CCCC)[C@H](C)C1 ZINC001102106527 801999471 /nfs/dbraw/zinc/99/94/71/801999471.db2.gz RUCMLCHKNWHIEH-BFYDXBDKSA-N 1 1 298.446 3.165 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](CNC(=O)C(C)(C)C2CCC2)[C@H](C)C1 ZINC001102197008 801999630 /nfs/dbraw/zinc/99/96/30/801999630.db2.gz JIUUHADTGZSLJA-HUUCEWRRSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](CCCC)C[C@H]1C ZINC001102221053 802000275 /nfs/dbraw/zinc/00/02/75/802000275.db2.gz DFVQHNFRMVJELN-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](CC=C(C)C)C[C@H]1C ZINC001102219834 802001127 /nfs/dbraw/zinc/00/11/27/802001127.db2.gz YOTGNJAOUZZNLL-HZPDHXFCSA-N 1 1 292.467 3.239 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)C(C)(C)CC)[C@H](C)C1 ZINC001102298989 802004497 /nfs/dbraw/zinc/00/44/97/802004497.db2.gz HEARKZYJROOQCL-BZUAXINKSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C ZINC001102327236 802005097 /nfs/dbraw/zinc/00/50/97/802005097.db2.gz HNVKBOCXKWGFNQ-JFIYKMOQSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](CNC(=O)C[C@H](C=C)CC)[C@H](C)C1 ZINC001102264228 802005367 /nfs/dbraw/zinc/00/53/67/802005367.db2.gz ALTGJGCGVFPAOK-BRWVUGGUSA-N 1 1 292.467 3.239 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@H+](CC(=C)Cl)C[C@H]1C ZINC001102409915 802005736 /nfs/dbraw/zinc/00/57/36/802005736.db2.gz BFOYHTJUYYUIGD-TZMCWYRMSA-N 1 1 298.858 3.025 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1C ZINC001102407621 802007766 /nfs/dbraw/zinc/00/77/66/802007766.db2.gz FQRGQTSUSFHSMT-JFDUVMPXSA-N 1 1 298.858 3.025 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)C[C@@H](CC)C(C)C)[C@H](C)C1 ZINC001102519631 802011923 /nfs/dbraw/zinc/01/19/23/802011923.db2.gz CYTQQWFYTDHYOY-BRWVUGGUSA-N 1 1 294.483 3.319 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)C(C)(CC)CC)[C@H](C)C1 ZINC001102586902 802013839 /nfs/dbraw/zinc/01/38/39/802013839.db2.gz XZZFDVXQHMRXAE-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC)C1 ZINC001102671894 802017126 /nfs/dbraw/zinc/01/71/26/802017126.db2.gz HJQMQGABDURUJF-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)CCC)C1 ZINC001102789682 802020106 /nfs/dbraw/zinc/02/01/06/802020106.db2.gz MBTSDLIGFDTPAL-ARFHVFGLSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(CC)CC)C1 ZINC001102687283 802020383 /nfs/dbraw/zinc/02/03/83/802020383.db2.gz UTICVPGBHSKICM-NVXWUHKLSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(F)=C(C)C)C1 ZINC001102855352 802022963 /nfs/dbraw/zinc/02/29/63/802022963.db2.gz SCRAQAPTMXZROT-HUUCEWRRSA-N 1 1 296.430 3.290 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2=CCCC2)C1 ZINC001102857054 802023540 /nfs/dbraw/zinc/02/35/40/802023540.db2.gz KVKLRSPRXARUGB-NVXWUHKLSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)CCCC)C1 ZINC001102937350 802024837 /nfs/dbraw/zinc/02/48/37/802024837.db2.gz WNJQNJIWWLDJOU-BZUAXINKSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)C(CC)CC)C1 ZINC001103163970 802028441 /nfs/dbraw/zinc/02/84/41/802028441.db2.gz ZLTJAMXMWXGRKP-HLLBOEOZSA-N 1 1 294.483 3.319 20 30 CGEDMO C=C[C@H](CC)CC(=O)NCC[C@@H]1C[N@@H+](CCCF)C[C@H]1C ZINC001103346135 802030061 /nfs/dbraw/zinc/03/00/61/802030061.db2.gz FHWCNPQNHAAUCU-BZUAXINKSA-N 1 1 298.446 3.023 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCCC(C)C)C1 ZINC001103547810 802035191 /nfs/dbraw/zinc/03/51/91/802035191.db2.gz LVYCBPSOMUTJON-IAGOWNOFSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(CCC)CC2)C1 ZINC001103410888 802035573 /nfs/dbraw/zinc/03/55/73/802035573.db2.gz NSTNUVSPOCVMFP-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)CC(C)C)C1 ZINC001103580450 802036515 /nfs/dbraw/zinc/03/65/15/802036515.db2.gz KYCCXMGOTRFSKM-BRWVUGGUSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C=C/C(C)(C)C)C2 ZINC001109084079 802108218 /nfs/dbraw/zinc/10/82/18/802108218.db2.gz QDSMMJMKWWUQIQ-WHVDOQMCSA-N 1 1 290.451 3.276 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)C ZINC001109590904 802117567 /nfs/dbraw/zinc/11/75/67/802117567.db2.gz HMTOPKMMEYRNLA-PMPSAXMXSA-N 1 1 292.467 3.356 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)CCC)C2 ZINC001109891796 802127603 /nfs/dbraw/zinc/12/76/03/802127603.db2.gz UJSOMDCTGKBBEX-FZKCQIBNSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)/C(C)=C\CC)C2 ZINC001110349102 802137628 /nfs/dbraw/zinc/13/76/28/802137628.db2.gz HRRADUYUZDHLMK-GHCDWBAASA-N 1 1 290.451 3.419 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC(C)(C)C)C2 ZINC001111168415 802154407 /nfs/dbraw/zinc/15/44/07/802154407.db2.gz RXXAPCKZYYKXJD-KFWWJZLASA-N 1 1 278.440 3.110 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)CCCC)C1 ZINC001111608169 802164991 /nfs/dbraw/zinc/16/49/91/802164991.db2.gz FFZKTELAXDQFSG-BQFCYCMXSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)CCCC)C1 ZINC001111732640 802166638 /nfs/dbraw/zinc/16/66/38/802166638.db2.gz WLQGLYUQXAALME-BQFCYCMXSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)/C(C)=C/C)C1 ZINC001111694730 802167062 /nfs/dbraw/zinc/16/70/62/802167062.db2.gz IAVGXSUJHAFDAJ-PXLRMZAYSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCCC)C2 ZINC001111765168 802169152 /nfs/dbraw/zinc/16/91/52/802169152.db2.gz XJKIOOZEBXOEDM-RDJZCZTQSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C=C)CC)C1 ZINC001111848864 802170087 /nfs/dbraw/zinc/17/00/87/802170087.db2.gz VXXULLTZSDKORW-RYRKJORJSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)C(C)C)C1 ZINC001111889919 802170255 /nfs/dbraw/zinc/17/02/55/802170255.db2.gz JAYDMGXBUUIGEN-RYRKJORJSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC(C)=C(C)C)C1 ZINC001111842081 802171025 /nfs/dbraw/zinc/17/10/25/802171025.db2.gz ZDZLCRIESKUZFF-WMZOPIPTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)C(C)(C)C)C1 ZINC001111955886 802172685 /nfs/dbraw/zinc/17/26/85/802172685.db2.gz XZHFMPJVGUFGDU-VKJFTORMSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)[C@@H](CCCC)C(C)C)CC1 ZINC001113697095 802232534 /nfs/dbraw/zinc/23/25/34/802232534.db2.gz YUCZOOBDROHAFE-INIZCTEOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[C@@H](C)CCC ZINC001114331585 802240624 /nfs/dbraw/zinc/24/06/24/802240624.db2.gz ONUMJESHXJABPG-LISAXSMJSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H]2C(NC(=O)/C=C(\C)CC)[C@@H]2C1 ZINC001114243525 802241133 /nfs/dbraw/zinc/24/11/33/802241133.db2.gz ZALSDDTUFKXVAK-ABEYWZNOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)c3ccccc3)C[C@H]21 ZINC001114352472 802241735 /nfs/dbraw/zinc/24/17/35/802241735.db2.gz BBLOJJITSLEGLS-ITQYTPKQSA-N 1 1 298.430 3.150 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCCCCC)C[C@H]21 ZINC001114729581 802244593 /nfs/dbraw/zinc/24/45/93/802244593.db2.gz UVVRPYUTHLXLBV-CBZIJGRNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](CC)C(C)(C)C ZINC001115114224 802253006 /nfs/dbraw/zinc/25/30/06/802253006.db2.gz YSCJTHBPOPYGBE-AIANPOQGSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H](C)CCCCCC ZINC001115106743 802253279 /nfs/dbraw/zinc/25/32/79/802253279.db2.gz ZXFQISPCHIUWMS-LISAXSMJSA-N 1 1 292.467 3.215 20 30 CGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1CC(C)(C)C1(C)C ZINC001116339073 802331765 /nfs/dbraw/zinc/33/17/65/802331765.db2.gz RRRWATZTNSPRNE-GFCCVEGCSA-N 1 1 285.391 3.006 20 30 CGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC(C)(C)C1(C)C ZINC001116339073 802331771 /nfs/dbraw/zinc/33/17/71/802331771.db2.gz RRRWATZTNSPRNE-GFCCVEGCSA-N 1 1 285.391 3.006 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc(OC)cc2Cl)C1 ZINC001116554279 802377432 /nfs/dbraw/zinc/37/74/32/802377432.db2.gz MWCVHXHPLXVZDE-CQSZACIVSA-N 1 1 281.783 3.126 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@](C)(CNC(=O)CC2CC2)C1 ZINC001270932826 808754963 /nfs/dbraw/zinc/75/49/63/808754963.db2.gz PHZXPRJUBFUBET-YJBOKZPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CC[N@H+](CC1CC1)[C@@H](C)c1nc(-c2ccccc2C)no1 ZINC001117932016 802510735 /nfs/dbraw/zinc/51/07/35/802510735.db2.gz JYYWTWBRQFMICW-AWEZNQCLSA-N 1 1 295.386 3.451 20 30 CGEDMO C#CC[N@@H+](CC1CC1)[C@@H](C)c1nc(-c2ccccc2C)no1 ZINC001117932016 802510739 /nfs/dbraw/zinc/51/07/39/802510739.db2.gz JYYWTWBRQFMICW-AWEZNQCLSA-N 1 1 295.386 3.451 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccnc(F)c1 ZINC001118824312 802608063 /nfs/dbraw/zinc/60/80/63/802608063.db2.gz CIVFETZBDMQHIN-GFCCVEGCSA-N 1 1 269.323 3.285 20 30 CGEDMO C[N@@H+](CCCCC1(C#N)CCC1)C[C@@H]1CCCC[C@@H]1O ZINC001119700659 802693137 /nfs/dbraw/zinc/69/31/37/802693137.db2.gz AFFYJPVQSVJLBU-HOTGVXAUSA-N 1 1 278.440 3.333 20 30 CGEDMO Cc1cc(C)cc(C[N@@H+](C)Cc2cncc(C#N)c2)c1 ZINC001119771261 802698281 /nfs/dbraw/zinc/69/82/81/802698281.db2.gz GWTQDVPFANLBGX-UHFFFAOYSA-N 1 1 265.360 3.202 20 30 CGEDMO C#Cc1ccc(CN[C@@H]2CCC[N@@H+](C3CCCC3)C2)cc1 ZINC001256903145 807004095 /nfs/dbraw/zinc/00/40/95/807004095.db2.gz YGWICTNWHOYPBS-GOSISDBHSA-N 1 1 282.431 3.165 20 30 CGEDMO C#Cc1ccc(CN[C@@H]2CCC[N@H+](C3CCCC3)C2)cc1 ZINC001256903145 807004102 /nfs/dbraw/zinc/00/41/02/807004102.db2.gz YGWICTNWHOYPBS-GOSISDBHSA-N 1 1 282.431 3.165 20 30 CGEDMO C[N@@H+](Cc1ccc(C2=CC[C@@H](C#N)CC2)nc1)C1CC1 ZINC001243797948 803016354 /nfs/dbraw/zinc/01/63/54/803016354.db2.gz QDGFQNPIQJZPSN-CYBMUJFWSA-N 1 1 267.376 3.383 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H](NC(=O)C2CC2)CC[C@H]1C ZINC001131730525 803338125 /nfs/dbraw/zinc/33/81/25/803338125.db2.gz MQLNEZWGIZIYKK-GDBMZVCRSA-N 1 1 280.456 3.336 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)o2)CC[C@H]1C ZINC001131768719 803343068 /nfs/dbraw/zinc/34/30/68/803343068.db2.gz STPBYADMPUJZTQ-HIFRSBDPSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)c2occc2C)CC[C@H]1C ZINC001131808938 803348344 /nfs/dbraw/zinc/34/83/44/803348344.db2.gz QRHFVZDZWPVSJI-HUUCEWRRSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)CCC2CC2)CC[C@H]1C ZINC001131923932 803356888 /nfs/dbraw/zinc/35/68/88/803356888.db2.gz WTGGBYNZRLTYKU-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCC2CC2)CC[C@@H]1C ZINC001131922276 803357210 /nfs/dbraw/zinc/35/72/10/803357210.db2.gz HOPXNCBRYPPRHA-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)/C=C(/C)CC)CC[C@H]1C ZINC001132042439 803370300 /nfs/dbraw/zinc/37/03/00/803370300.db2.gz UVCHAIVUGUAATP-IBRCSUQUSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCCCC)C1 ZINC001132227923 803381470 /nfs/dbraw/zinc/38/14/70/803381470.db2.gz JHDDZBKQMZUMCN-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO CC#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)C(C)(C)C)CC[C@@H]1C ZINC001132224071 803381749 /nfs/dbraw/zinc/38/17/49/803381749.db2.gz KGKRSSCBNUQIQE-GJZGRUSLSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C2CC2)CC[C@@H]1C ZINC001132236922 803383472 /nfs/dbraw/zinc/38/34/72/803383472.db2.gz ASLWUVBNPUQLNO-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCC(=C)C)C1 ZINC001132228729 803383553 /nfs/dbraw/zinc/38/35/53/803383553.db2.gz VSRBHCCENFIJJF-HUUCEWRRSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C=C)CC[C@H]1C ZINC001132228535 803383662 /nfs/dbraw/zinc/38/36/62/803383662.db2.gz SIEFODHAZJIBHI-CABCVRRESA-N 1 1 278.440 3.134 20 30 CGEDMO C=C/C(C)=C\CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCC(=C)C)C1 ZINC001132228379 803383998 /nfs/dbraw/zinc/38/39/98/803383998.db2.gz QBLVEKNQJJWBMX-CTOSAQQISA-N 1 1 290.451 3.444 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC=C(C)C)C1 ZINC001132248595 803386675 /nfs/dbraw/zinc/38/66/75/803386675.db2.gz HAODONQRXZBNSF-HOTGVXAUSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCC(=C)C)C1 ZINC001132256092 803388144 /nfs/dbraw/zinc/38/81/44/803388144.db2.gz JEHPTRIXASYLRB-CVEARBPZSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CCCC)C1 ZINC001132255626 803388236 /nfs/dbraw/zinc/38/82/36/803388236.db2.gz BXYUVTAFFRIOIB-HUUCEWRRSA-N 1 1 266.429 3.112 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCCC)C1 ZINC001132255624 803388511 /nfs/dbraw/zinc/38/85/11/803388511.db2.gz BXYUVTAFFRIOIB-CABCVRRESA-N 1 1 266.429 3.112 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](NC(=O)C(C)(CC)CC)CC[C@H]1C ZINC001132494374 803409405 /nfs/dbraw/zinc/40/94/05/803409405.db2.gz RWUVKVHSOQSTMK-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO COc1ncc(C[N@H+](CCC#N)C2CCCC2)cc1C ZINC001137004660 803669775 /nfs/dbraw/zinc/66/97/75/803669775.db2.gz IJCIMJRJMBXUIX-UHFFFAOYSA-N 1 1 273.380 3.057 20 30 CGEDMO COc1ncc(C[N@@H+](CCC#N)C2CCCC2)cc1C ZINC001137004660 803669780 /nfs/dbraw/zinc/66/97/80/803669780.db2.gz IJCIMJRJMBXUIX-UHFFFAOYSA-N 1 1 273.380 3.057 20 30 CGEDMO C[N@@H+](Cc1ccc(N2CCCC2)o1)Cc1ccc(C#N)cc1 ZINC001137065976 803678586 /nfs/dbraw/zinc/67/85/86/803678586.db2.gz AJSHLUJQJCFQFV-UHFFFAOYSA-N 1 1 295.386 3.383 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)cc1 ZINC001137115398 803685364 /nfs/dbraw/zinc/68/53/64/803685364.db2.gz LWIBIWNHBNMNIK-HZPDHXFCSA-N 1 1 270.376 3.211 20 30 CGEDMO Cc1cccc2c(C[N@@H+]3[C@@H]4CC[C@H]3C[C@H](C#N)C4)[nH]nc21 ZINC001137149312 803689137 /nfs/dbraw/zinc/68/91/37/803689137.db2.gz OCBFWOOHOPZSCE-ZSOGYDGISA-N 1 1 280.375 3.138 20 30 CGEDMO Cc1cccc2c(C[N@H+](C)Cc3cccc(C#N)c3)[nH]nc21 ZINC001137150285 803689592 /nfs/dbraw/zinc/68/95/92/803689592.db2.gz AQLMHZJUIPNHRJ-UHFFFAOYSA-N 1 1 290.370 3.375 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(-n2ccnn2)cc1)C(C)(C)C ZINC001137369946 803723851 /nfs/dbraw/zinc/72/38/51/803723851.db2.gz ZTLNYPMIFCBUAL-UHFFFAOYSA-N 1 1 270.380 3.054 20 30 CGEDMO CCCCCCCCNC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC001137583839 803742781 /nfs/dbraw/zinc/74/27/81/803742781.db2.gz VJBQFATWHWNMLB-AWEZNQCLSA-N 1 1 268.445 3.336 20 30 CGEDMO C(#CC1CC[NH+](Cc2cscn2)CC1)c1ccccc1 ZINC001137597864 803743741 /nfs/dbraw/zinc/74/37/41/803743741.db2.gz SLFHAOUTOHZJFA-UHFFFAOYSA-N 1 1 282.412 3.407 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H](C)C2)c(C#N)c1 ZINC001137699506 803761130 /nfs/dbraw/zinc/76/11/30/803761130.db2.gz JWEAHTWLYKARTK-KGLIPLIRSA-N 1 1 272.392 3.435 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2C)c(C#N)c1 ZINC001137703340 803761383 /nfs/dbraw/zinc/76/13/83/803761383.db2.gz KCWZWKCTXPULFQ-CHWSQXEVSA-N 1 1 258.365 3.187 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@@H](C)CC2)c(C#N)c1 ZINC001137699800 803761455 /nfs/dbraw/zinc/76/14/55/803761455.db2.gz VCMAVOFAOSQNLM-CYBMUJFWSA-N 1 1 258.365 3.189 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2cccc3c2OC(F)(F)O3)CC1 ZINC001138068542 803847971 /nfs/dbraw/zinc/84/79/71/803847971.db2.gz INADELUGTCHGMW-LLVKDONJSA-N 1 1 294.301 3.134 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2cccc3c2OC(F)(F)O3)CC1 ZINC001138068542 803847979 /nfs/dbraw/zinc/84/79/79/803847979.db2.gz INADELUGTCHGMW-LLVKDONJSA-N 1 1 294.301 3.134 20 30 CGEDMO N#CCC1CC[NH+](Cc2cc3c(cc2Cl)OCO3)CC1 ZINC001138244099 803880552 /nfs/dbraw/zinc/88/05/52/803880552.db2.gz WMEIFXZWGLWHOM-UHFFFAOYSA-N 1 1 292.766 3.194 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)cc1OC ZINC001138343032 803899617 /nfs/dbraw/zinc/89/96/17/803899617.db2.gz FMOQGSPBGXEVSP-IAGOWNOFSA-N 1 1 299.414 3.329 20 30 CGEDMO COc1ccc(C)cc1C[N@@H+]1CCc2cc(C#N)ccc2C1 ZINC001138485036 803950235 /nfs/dbraw/zinc/95/02/35/803950235.db2.gz GSNOCHFJRYMHNQ-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO COc1ccc(C)cc1C[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001138485036 803950241 /nfs/dbraw/zinc/95/02/41/803950241.db2.gz GSNOCHFJRYMHNQ-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1ccc(N(C)C)s1 ZINC001138492055 803951421 /nfs/dbraw/zinc/95/14/21/803951421.db2.gz XJQJIWVVZHBWRL-UHFFFAOYSA-N 1 1 265.426 3.330 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1ccc(N(C)C)s1 ZINC001138492055 803951432 /nfs/dbraw/zinc/95/14/32/803951432.db2.gz XJQJIWVVZHBWRL-UHFFFAOYSA-N 1 1 265.426 3.330 20 30 CGEDMO CCCc1ccc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)s1 ZINC001138525799 803960190 /nfs/dbraw/zinc/96/01/90/803960190.db2.gz KINSKVNVYOAZHB-AWEZNQCLSA-N 1 1 293.457 3.475 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCc3ccc(F)cc3C2)cc1 ZINC001138557582 803967026 /nfs/dbraw/zinc/96/70/26/803967026.db2.gz MKJOXBKJFCJULL-UHFFFAOYSA-N 1 1 295.357 3.396 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCc3ccc(F)cc3C2)cc1 ZINC001138557582 803967031 /nfs/dbraw/zinc/96/70/31/803967031.db2.gz MKJOXBKJFCJULL-UHFFFAOYSA-N 1 1 295.357 3.396 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCc3cc(F)ccc3C2)cc1 ZINC001138560099 803968859 /nfs/dbraw/zinc/96/88/59/803968859.db2.gz HBKLBBQQBGGYDB-UHFFFAOYSA-N 1 1 295.357 3.396 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCc3cc(F)ccc3C2)cc1 ZINC001138560099 803968865 /nfs/dbraw/zinc/96/88/65/803968865.db2.gz HBKLBBQQBGGYDB-UHFFFAOYSA-N 1 1 295.357 3.396 20 30 CGEDMO C#CCOc1ccc(C[N@H+](CC)Cc2ccccc2O)cc1 ZINC001138559770 803968902 /nfs/dbraw/zinc/96/89/02/803968902.db2.gz BJWAGHXMECCPGM-UHFFFAOYSA-N 1 1 295.382 3.426 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2CCC(F)(F)[C@@H](F)C2)c1O ZINC001138625433 803984036 /nfs/dbraw/zinc/98/40/36/803984036.db2.gz KTXWYCXZCSRVGK-ZDUSSCGKSA-N 1 1 285.309 3.300 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CCC(F)(F)[C@@H](F)C2)c1O ZINC001138625433 803984040 /nfs/dbraw/zinc/98/40/40/803984040.db2.gz KTXWYCXZCSRVGK-ZDUSSCGKSA-N 1 1 285.309 3.300 20 30 CGEDMO CCCn1ncc(C[N@@H+]2CCc3ccc(C#N)cc3C2)c1C ZINC001138637664 803990871 /nfs/dbraw/zinc/99/08/71/803990871.db2.gz SVDRKOJLWRKEGH-UHFFFAOYSA-N 1 1 294.402 3.032 20 30 CGEDMO CCCn1ncc(C[N@H+]2CCc3ccc(C#N)cc3C2)c1C ZINC001138637664 803990877 /nfs/dbraw/zinc/99/08/77/803990877.db2.gz SVDRKOJLWRKEGH-UHFFFAOYSA-N 1 1 294.402 3.032 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001138665007 803996428 /nfs/dbraw/zinc/99/64/28/803996428.db2.gz FACSGZKWBWIDNI-PHZGNYQRSA-N 1 1 275.367 3.289 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CC[C@@]2(CCCO2)C1 ZINC001138662397 803996877 /nfs/dbraw/zinc/99/68/77/803996877.db2.gz WWHBTDBKWFCJKD-SFHVURJKSA-N 1 1 287.403 3.396 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CCC[C@]12CCOC2 ZINC001138665702 803997848 /nfs/dbraw/zinc/99/78/48/803997848.db2.gz UODNICDXJTZIBN-GOSISDBHSA-N 1 1 287.403 3.396 20 30 CGEDMO COc1cc(C)c(C[N@@H+]2CC[C@](C)(C#N)C2)c(C)c1C ZINC001138726634 804022735 /nfs/dbraw/zinc/02/27/35/804022735.db2.gz FZELJWZZNMLTLC-QGZVFWFLSA-N 1 1 272.392 3.356 20 30 CGEDMO COc1cc(C)c(C[N@H+]2CC[C@](C)(C#N)C2)c(C)c1C ZINC001138726634 804022745 /nfs/dbraw/zinc/02/27/45/804022745.db2.gz FZELJWZZNMLTLC-QGZVFWFLSA-N 1 1 272.392 3.356 20 30 CGEDMO CCCCCCC[N@@H+](CC)Cc1c[nH]nc1C(=O)OCC ZINC001138856578 804058272 /nfs/dbraw/zinc/05/82/72/804058272.db2.gz YBWCOQRUBUJACS-UHFFFAOYSA-N 1 1 295.427 3.379 20 30 CGEDMO CCCCCCCC[C@H](O)CN1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001246058858 804105116 /nfs/dbraw/zinc/10/51/16/804105116.db2.gz GVZZQRWVBVFBBV-OKZBNKHCSA-N 1 1 296.499 3.172 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@]2(CCO2)C1 ZINC001139030498 804114726 /nfs/dbraw/zinc/11/47/26/804114726.db2.gz ORMPPUJPUQJHRE-KRWDZBQOSA-N 1 1 273.376 3.006 20 30 CGEDMO N#Cc1ccc(C2CCC([NH2+][C@H]3CCCCNC3)CC2)cc1 ZINC001246092601 804125580 /nfs/dbraw/zinc/12/55/80/804125580.db2.gz SVYUHGQGIAYVDV-ACBHZAAOSA-N 1 1 297.446 3.316 20 30 CGEDMO CCCCCCCCC[C@H](C)N[C@@H]1C[NH2+]CCOC1 ZINC001246093558 804125747 /nfs/dbraw/zinc/12/57/47/804125747.db2.gz OKUYBLFEWBJDNT-JKSUJKDBSA-N 1 1 270.461 3.094 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(F)cc(Br)c2)C1 ZINC001139177777 804150612 /nfs/dbraw/zinc/15/06/12/804150612.db2.gz OYGAPXKAORUFAB-LLVKDONJSA-N 1 1 296.183 3.433 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(F)cc(Br)c2)C1 ZINC001139177777 804150614 /nfs/dbraw/zinc/15/06/14/804150614.db2.gz OYGAPXKAORUFAB-LLVKDONJSA-N 1 1 296.183 3.433 20 30 CGEDMO Cc1cccc2[nH]cc(C[N@@H+]3CC[C@](C)(C#N)C3)c21 ZINC001139199003 804158911 /nfs/dbraw/zinc/15/89/11/804158911.db2.gz MTVRREBOAQFIEQ-MRXNPFEDSA-N 1 1 253.349 3.212 20 30 CGEDMO Cc1cccc2[nH]cc(C[N@H+]3CC[C@](C)(C#N)C3)c21 ZINC001139199003 804158916 /nfs/dbraw/zinc/15/89/16/804158916.db2.gz MTVRREBOAQFIEQ-MRXNPFEDSA-N 1 1 253.349 3.212 20 30 CGEDMO CCCCC[C@H]([NH3+])c1nc(-c2ccc(C#N)c(C)c2)no1 ZINC001212273306 814999608 /nfs/dbraw/zinc/99/96/08/814999608.db2.gz ORCPXPJUDXLMJW-AWEZNQCLSA-N 1 1 284.363 3.497 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](F)C(F)(F)CC2)cc1F ZINC001139525164 804201804 /nfs/dbraw/zinc/20/18/04/804201804.db2.gz CTQNKFDAYXQICL-ZDUSSCGKSA-N 1 1 286.272 3.267 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](F)C(F)(F)CC2)cc1F ZINC001139525164 804201811 /nfs/dbraw/zinc/20/18/11/804201811.db2.gz CTQNKFDAYXQICL-ZDUSSCGKSA-N 1 1 286.272 3.267 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](Cc2ccc(-c3cccnc3)cc2)C1 ZINC001139645402 804241576 /nfs/dbraw/zinc/24/15/76/804241576.db2.gz HQFGEGXSMBQMKR-SFHVURJKSA-N 1 1 277.371 3.484 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(-c3cccnc3)cc2)C1 ZINC001139645402 804241583 /nfs/dbraw/zinc/24/15/83/804241583.db2.gz HQFGEGXSMBQMKR-SFHVURJKSA-N 1 1 277.371 3.484 20 30 CGEDMO C[N@@H+](Cc1c[nH]c2c1cccc2C#N)C1CCCC1 ZINC001139703583 804260509 /nfs/dbraw/zinc/26/05/09/804260509.db2.gz QWXAJYCYCQFGRC-UHFFFAOYSA-N 1 1 253.349 3.414 20 30 CGEDMO N#Cc1cccc2c(C[N@H+]3CCC[C@@H]4C[C@@H]43)c[nH]c21 ZINC001139706645 804260593 /nfs/dbraw/zinc/26/05/93/804260593.db2.gz COAQWOWKGSHODU-ABAIWWIYSA-N 1 1 251.333 3.024 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)cc1C#N ZINC001139724170 804267009 /nfs/dbraw/zinc/26/70/09/804267009.db2.gz JKQNEKCKPRPMSV-CVEARBPZSA-N 1 1 254.377 3.489 20 30 CGEDMO C=CCn1cc(C[N@H+](CC)Cc2ccc(C)cc2)cn1 ZINC001139771052 804278815 /nfs/dbraw/zinc/27/88/15/804278815.db2.gz MJBBVXWDBNJGJK-UHFFFAOYSA-N 1 1 269.392 3.400 20 30 CGEDMO C=CCn1cc(C[N@H+](C)[C@@H](C)c2ccc(OC)cc2)cn1 ZINC001139772921 804279885 /nfs/dbraw/zinc/27/98/85/804279885.db2.gz UCQGBVNJFXGTAM-AWEZNQCLSA-N 1 1 285.391 3.271 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(C)cc2C)no1 ZINC001212325495 815005637 /nfs/dbraw/zinc/00/56/37/815005637.db2.gz SLKPKDUZMJNQAI-AWEZNQCLSA-N 1 1 269.348 3.157 20 30 CGEDMO CCCCCCCC[C@H](CC)[NH2+][C@H]1CCNC[C@H]1OC ZINC001246352655 804299537 /nfs/dbraw/zinc/29/95/37/804299537.db2.gz YNMSTVUQOCULSW-YESZJQIVSA-N 1 1 284.488 3.482 20 30 CGEDMO N#Cc1cc(F)cc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c1 ZINC001139877858 804307407 /nfs/dbraw/zinc/30/74/07/804307407.db2.gz WEOGPFXMVDYKTA-BETUJISGSA-N 1 1 280.293 3.174 20 30 CGEDMO N#Cc1cc(F)cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c1 ZINC001139877858 804307412 /nfs/dbraw/zinc/30/74/12/804307412.db2.gz WEOGPFXMVDYKTA-BETUJISGSA-N 1 1 280.293 3.174 20 30 CGEDMO C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc(F)cc(C#N)c1 ZINC001139876381 804308388 /nfs/dbraw/zinc/30/83/88/804308388.db2.gz VIVSKMYVZBOGJN-UHFFFAOYSA-N 1 1 298.317 3.058 20 30 CGEDMO C[N@H+](Cc1cc(F)cc(C#N)c1)C[C@@H]1Cc2ccccc2O1 ZINC001139878896 804308788 /nfs/dbraw/zinc/30/87/88/804308788.db2.gz AXBTVFRUQQSBKS-KRWDZBQOSA-N 1 1 296.345 3.133 20 30 CGEDMO C=CC[NH+]1CCN(Cc2cc(C(F)(F)F)ccc2C)CC1 ZINC001139885656 804312774 /nfs/dbraw/zinc/31/27/74/804312774.db2.gz SMQPZCORTAIFSQ-UHFFFAOYSA-N 1 1 298.352 3.317 20 30 CGEDMO C[Si](C)(C)C#Cc1ncccc1Nc1ccc[nH+]c1N ZINC001212391320 815015976 /nfs/dbraw/zinc/01/59/76/815015976.db2.gz LWWGUIZGIYRASS-UHFFFAOYSA-N 1 1 282.423 3.031 20 30 CGEDMO C=CC[N@H+](Cc1[nH]nc2ccc(OC)cc21)C(C)(C)C ZINC001140071153 804370047 /nfs/dbraw/zinc/37/00/47/804370047.db2.gz YRIGCVLBEMMKRL-UHFFFAOYSA-N 1 1 273.380 3.358 20 30 CGEDMO C=CC[N@@H+](Cc1n[nH]c2ccc(OC)cc21)C(C)(C)C ZINC001140071153 804370052 /nfs/dbraw/zinc/37/00/52/804370052.db2.gz YRIGCVLBEMMKRL-UHFFFAOYSA-N 1 1 273.380 3.358 20 30 CGEDMO C=CC[N@H+](Cc1n[nH]c2ccc(OC)cc21)C(C)(C)C ZINC001140071153 804370059 /nfs/dbraw/zinc/37/00/59/804370059.db2.gz YRIGCVLBEMMKRL-UHFFFAOYSA-N 1 1 273.380 3.358 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(C(F)(F)F)ccn1 ZINC001140108290 804379869 /nfs/dbraw/zinc/37/98/69/804379869.db2.gz HHBAZBOSOXGAPN-UHFFFAOYSA-N 1 1 258.287 3.498 20 30 CGEDMO N#Cc1ccc2[nH]cc(C[N@H+]3C[C@H]4[C@H](CC4(F)F)C3)c2c1 ZINC001140110949 804380142 /nfs/dbraw/zinc/38/01/42/804380142.db2.gz VMCRDFKGGJWIKZ-RISCZKNCSA-N 1 1 287.313 3.127 20 30 CGEDMO CCOc1ccc2[nH]cc(C[N@@H+]3CC[C@@](C)(C#N)C3)c2c1 ZINC001140275706 804406554 /nfs/dbraw/zinc/40/65/54/804406554.db2.gz YYELJQJBMNXIPZ-KRWDZBQOSA-N 1 1 283.375 3.302 20 30 CGEDMO CCOc1ccc2[nH]cc(C[N@H+]3CC[C@@](C)(C#N)C3)c2c1 ZINC001140275706 804406560 /nfs/dbraw/zinc/40/65/60/804406560.db2.gz YYELJQJBMNXIPZ-KRWDZBQOSA-N 1 1 283.375 3.302 20 30 CGEDMO N#Cc1ccc2c(c1)CC[N@@H+](Cc1c(O)cccc1Cl)C2 ZINC001140338020 804418025 /nfs/dbraw/zinc/41/80/25/804418025.db2.gz RHNDUXYYCISQIN-UHFFFAOYSA-N 1 1 298.773 3.476 20 30 CGEDMO N#Cc1ccc2c(c1)CC[N@H+](Cc1c(O)cccc1Cl)C2 ZINC001140338020 804418028 /nfs/dbraw/zinc/41/80/28/804418028.db2.gz RHNDUXYYCISQIN-UHFFFAOYSA-N 1 1 298.773 3.476 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(O)cccc1Cl ZINC001140341523 804419768 /nfs/dbraw/zinc/41/97/68/804419768.db2.gz SPNLHHMOAQAWJO-CNDDSTCGSA-N 1 1 276.767 3.312 20 30 CGEDMO CCCCCCCC[C@H](CC)[N@H+]1CCOC2(CNC2)C1 ZINC001246616558 804452324 /nfs/dbraw/zinc/45/23/24/804452324.db2.gz BGDVZXHJYCZYAD-INIZCTEOSA-N 1 1 282.472 3.190 20 30 CGEDMO CCCCCCCC[C@H](CC)N1CCOC2(C[NH2+]C2)C1 ZINC001246616558 804452328 /nfs/dbraw/zinc/45/23/28/804452328.db2.gz BGDVZXHJYCZYAD-INIZCTEOSA-N 1 1 282.472 3.190 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)cn1 ZINC001140547067 804457949 /nfs/dbraw/zinc/45/79/49/804457949.db2.gz GWJBSAIKKWUGGA-SFHVURJKSA-N 1 1 295.361 3.299 20 30 CGEDMO Cc1cc(C[N@H+]2CCc3cc(C#N)ccc3C2)ccc1O ZINC001140574404 804462761 /nfs/dbraw/zinc/46/27/61/804462761.db2.gz BWPAJIRSUJSGOU-UHFFFAOYSA-N 1 1 278.355 3.131 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2cc(F)c(C#N)c(F)c2)CC1 ZINC001140752179 804505259 /nfs/dbraw/zinc/50/52/59/804505259.db2.gz HEGRPXPIUPHPGZ-NSHDSACASA-N 1 1 264.319 3.458 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c1Cl ZINC001140808256 804525739 /nfs/dbraw/zinc/52/57/39/804525739.db2.gz NPCJVXGBEBPPRO-UKRRQHHQSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@@]3(C2)CCCOC3)c1Cl ZINC001140813124 804526897 /nfs/dbraw/zinc/52/68/97/804526897.db2.gz WKMATQPTGPXABL-MRXNPFEDSA-N 1 1 290.794 3.214 20 30 CGEDMO N#CC1CCC([N@H+]2CC[C@H](C(=O)c3ccccc3)C2)CC1 ZINC001256972414 807020621 /nfs/dbraw/zinc/02/06/21/807020621.db2.gz XYFPUIYXRUJWTH-WIHSUSGWSA-N 1 1 282.387 3.274 20 30 CGEDMO N#CCC1C[NH+](Cc2ccnc(-c3ccc(F)cc3)c2)C1 ZINC001141116079 804591399 /nfs/dbraw/zinc/59/13/99/804591399.db2.gz OYBSVAPZGJKJKH-UHFFFAOYSA-N 1 1 281.334 3.233 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+](C)[C@]3(C)CCCNC3)C[C@H](C1)C2 ZINC001246910892 804594913 /nfs/dbraw/zinc/59/49/13/804594913.db2.gz LDFTYWKQXXNVMJ-FCLJQHQZSA-N 1 1 262.441 3.195 20 30 CGEDMO C=C1C[C@@H]2CC(N(C)[C@]3(C)CCC[NH2+]C3)C[C@H](C1)C2 ZINC001246910892 804594918 /nfs/dbraw/zinc/59/49/18/804594918.db2.gz LDFTYWKQXXNVMJ-FCLJQHQZSA-N 1 1 262.441 3.195 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+](C)[C@H]3CCCC[C@H]3N)C[C@H](C1)C2 ZINC001246916340 804598316 /nfs/dbraw/zinc/59/83/16/804598316.db2.gz HOGYUMZIVCYERB-OZSLIKBDSA-N 1 1 262.441 3.323 20 30 CGEDMO C[N@@H+](Cc1ccc(F)cc1C#N)C[C@@H]1Cc2ccccc2O1 ZINC001141168800 804603051 /nfs/dbraw/zinc/60/30/51/804603051.db2.gz WZGKXEHQHAUNMI-KRWDZBQOSA-N 1 1 296.345 3.133 20 30 CGEDMO C[N@H+](Cc1ccc(F)cc1C#N)C[C@@H]1Cc2ccccc2O1 ZINC001141168800 804603055 /nfs/dbraw/zinc/60/30/55/804603055.db2.gz WZGKXEHQHAUNMI-KRWDZBQOSA-N 1 1 296.345 3.133 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+](C1CCC1)[C@H]1CCCNC1 ZINC001246989003 804629818 /nfs/dbraw/zinc/62/98/18/804629818.db2.gz QZJZCRQQCOQHMH-BEFAXECRSA-N 1 1 297.446 3.096 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C1CCC1)[C@H]1CCCNC1 ZINC001246989003 804629823 /nfs/dbraw/zinc/62/98/23/804629823.db2.gz QZJZCRQQCOQHMH-BEFAXECRSA-N 1 1 297.446 3.096 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CC[C@]2(C1)CNCCO2 ZINC001246991041 804631941 /nfs/dbraw/zinc/63/19/41/804631941.db2.gz YDUVKOKAJXEBSE-IAGOWNOFSA-N 1 1 282.472 3.190 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccc3cc(F)ccc3n2)C1 ZINC001141649352 804660912 /nfs/dbraw/zinc/66/09/12/804660912.db2.gz SJCLZHWILPJHOP-ZDUSSCGKSA-N 1 1 283.350 3.500 20 30 CGEDMO CSc1nc(C[N@H+]2CCC3(CCCC3)C2)ccc1C#N ZINC001141939862 804680268 /nfs/dbraw/zinc/68/02/68/804680268.db2.gz VEZRVTOKYFUZQV-UHFFFAOYSA-N 1 1 287.432 3.441 20 30 CGEDMO CSc1nc(C[N@@H+](C)CCc2ccccc2)ccc1C#N ZINC001141929404 804680668 /nfs/dbraw/zinc/68/06/68/804680668.db2.gz UJDXLCVHABFBAW-UHFFFAOYSA-N 1 1 297.427 3.350 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC001142201182 804701543 /nfs/dbraw/zinc/70/15/43/804701543.db2.gz YDBANTVCXTUPEH-OAHLLOKOSA-N 1 1 299.414 3.487 20 30 CGEDMO C[N@H+]1CCC[C@@H](CCNc2ccc(CCC#N)cc2)C1 ZINC001165277941 806985028 /nfs/dbraw/zinc/98/50/28/806985028.db2.gz BWLGAJNKHZKJKJ-INIZCTEOSA-N 1 1 271.408 3.287 20 30 CGEDMO C#CC[C@H]([NH3+])c1nc(-c2cc(C(F)(F)F)ccc2C)no1 ZINC001247609747 804779618 /nfs/dbraw/zinc/77/96/18/804779618.db2.gz NQUZTMSNPRFNGO-NSHDSACASA-N 1 1 295.264 3.087 20 30 CGEDMO CC1(C)C[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)[C@](C)(CO)C1 ZINC001142911857 804782017 /nfs/dbraw/zinc/78/20/17/804782017.db2.gz LZMCXLYXTKNIBJ-SFHVURJKSA-N 1 1 297.402 3.022 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2cc(C(C)=O)ccc2F)no1 ZINC001247622583 804782654 /nfs/dbraw/zinc/78/26/54/804782654.db2.gz OARFQWYUFGQGLV-ZDUSSCGKSA-N 1 1 289.310 3.044 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2ccc(C(F)(F)F)nc2)no1 ZINC001247622166 804782877 /nfs/dbraw/zinc/78/28/77/804782877.db2.gz HNQHDROYUQYPEH-SECBINFHSA-N 1 1 298.268 3.116 20 30 CGEDMO C[C@@]1(CF)CC[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)C1 ZINC001142911878 804783353 /nfs/dbraw/zinc/78/33/53/804783353.db2.gz MRYSWNDUPDBLCC-INIZCTEOSA-N 1 1 271.339 3.221 20 30 CGEDMO C[N@@H+](Cc1c[nH]c2cc(C#N)ccc12)Cc1ccccn1 ZINC001142911982 804783847 /nfs/dbraw/zinc/78/38/47/804783847.db2.gz QOZLOXYCPWMOSU-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2ccc(C)c(C)c2)no1 ZINC001247623000 804784676 /nfs/dbraw/zinc/78/46/76/804784676.db2.gz UORUPRXQUQLAEG-CYBMUJFWSA-N 1 1 257.337 3.319 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2cccc3cnccc32)no1 ZINC001247622936 804784868 /nfs/dbraw/zinc/78/48/68/804784868.db2.gz SMLJXLRXIFEHHC-AWEZNQCLSA-N 1 1 280.331 3.251 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)[C@@H](C)C1 ZINC001142932031 804786068 /nfs/dbraw/zinc/78/60/68/804786068.db2.gz XHRCWFPDXPMYQW-SWLSCSKDSA-N 1 1 283.375 3.039 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)[C@H](C)C1 ZINC001142932030 804786607 /nfs/dbraw/zinc/78/66/07/804786607.db2.gz XHRCWFPDXPMYQW-IUODEOHRSA-N 1 1 283.375 3.039 20 30 CGEDMO COC(C)(C)[C@@H]1CCC[N@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143172674 804814447 /nfs/dbraw/zinc/81/44/47/804814447.db2.gz BJBWMQOKPQJJDV-AWEZNQCLSA-N 1 1 294.345 3.226 20 30 CGEDMO C[C@H]1CC[N@H+](Cc2c(F)ccc(C#N)c2F)[C@@H](C)C1 ZINC001143172688 804815449 /nfs/dbraw/zinc/81/54/49/804815449.db2.gz BPECVTSMCBDPPQ-QWRGUYRKSA-N 1 1 264.319 3.457 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2c(F)ccc(C#N)c2F)[C@@H](C)C1 ZINC001143172688 804815456 /nfs/dbraw/zinc/81/54/56/804815456.db2.gz BPECVTSMCBDPPQ-QWRGUYRKSA-N 1 1 264.319 3.457 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2c(Cl)cccc2C#N)CCC[C@@]1(C)O ZINC001143717295 804887047 /nfs/dbraw/zinc/88/70/47/804887047.db2.gz BHQXVUBHTRFPLZ-BLLLJJGKSA-N 1 1 292.810 3.195 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2c(Cl)cccc2C#N)CCC[C@]1(C)O ZINC001143717298 804888388 /nfs/dbraw/zinc/88/83/88/804888388.db2.gz BHQXVUBHTRFPLZ-WBMJQRKESA-N 1 1 292.810 3.195 20 30 CGEDMO C#CC1CC[NH+](Cc2c(Cl)cccc2C#N)CC1 ZINC001143731273 804888773 /nfs/dbraw/zinc/88/87/73/804888773.db2.gz QPKLFUOSMMKGLF-UHFFFAOYSA-N 1 1 258.752 3.057 20 30 CGEDMO N#Cc1cccc(Cl)c1C[N@H+]1CCC[C@H](CF)C1 ZINC001143726350 804889657 /nfs/dbraw/zinc/88/96/57/804889657.db2.gz NIFCUTMFWYKESU-LLVKDONJSA-N 1 1 266.747 3.393 20 30 CGEDMO N#Cc1cccc(Cl)c1C[N@@H+]1CCC[C@H](CF)C1 ZINC001143726350 804889663 /nfs/dbraw/zinc/88/96/63/804889663.db2.gz NIFCUTMFWYKESU-LLVKDONJSA-N 1 1 266.747 3.393 20 30 CGEDMO Cc1noc2ccc(C[N@H+]3CCC[C@H](CC#N)C3)cc12 ZINC001248706425 804971341 /nfs/dbraw/zinc/97/13/41/804971341.db2.gz TXEAGBFZHPHQNI-CYBMUJFWSA-N 1 1 269.348 3.262 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CC[C@H](OC(C)C)C1 ZINC001248752685 804984363 /nfs/dbraw/zinc/98/43/63/804984363.db2.gz WGIHVPLZJMXJGD-KRWDZBQOSA-N 1 1 272.392 3.120 20 30 CGEDMO CCc1cc(C#N)ccc1CN1CC[N@H+](CC)CC1(C)C ZINC001248753246 804986314 /nfs/dbraw/zinc/98/63/14/804986314.db2.gz YFMWGBOIZLVBTR-UHFFFAOYSA-N 1 1 285.435 3.037 20 30 CGEDMO Cn1ccc(-c2ccc(C[N@H+]3CCC[C@@H](C#N)CC3)cc2)n1 ZINC001248766644 804987935 /nfs/dbraw/zinc/98/79/35/804987935.db2.gz ZTJACDVQCSFOID-OAHLLOKOSA-N 1 1 294.402 3.213 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccc(-n2nccn2)cc1 ZINC001248772509 804990236 /nfs/dbraw/zinc/99/02/36/804990236.db2.gz ZTACCGHYJUNGOP-UHFFFAOYSA-N 1 1 270.380 3.055 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2csc(-c3ccncc3)n2)C1 ZINC001249299359 805128821 /nfs/dbraw/zinc/12/88/21/805128821.db2.gz PJIBGWXFAGIEKP-ZDUSSCGKSA-N 1 1 283.400 3.050 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2csc(-c3ccncc3)n2)C1 ZINC001249299359 805128822 /nfs/dbraw/zinc/12/88/22/805128822.db2.gz PJIBGWXFAGIEKP-ZDUSSCGKSA-N 1 1 283.400 3.050 20 30 CGEDMO N#Cc1ccc2cc(C[N@@H+]3CCC[C@@H](F)CC3)[nH]c2c1 ZINC001249426458 805146606 /nfs/dbraw/zinc/14/66/06/805146606.db2.gz RNMSHIZAAXRCNZ-CQSZACIVSA-N 1 1 271.339 3.364 20 30 CGEDMO C[N@H+](Cc1cc2ccc(C#N)cc2[nH]1)Cc1cccnc1 ZINC001249426235 805147139 /nfs/dbraw/zinc/14/71/39/805147139.db2.gz JUBMBGNYFSIMNQ-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO C[N@@H+](Cc1cc2ccc(C#N)cc2[nH]1)Cc1cccnc1 ZINC001249426235 805147142 /nfs/dbraw/zinc/14/71/42/805147142.db2.gz JUBMBGNYFSIMNQ-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO N#Cc1ccc2cc(C[N@@H+](CC3CC3)C3CC3)[nH]c2c1 ZINC001249430309 805148308 /nfs/dbraw/zinc/14/83/08/805148308.db2.gz MGKAURITRSIDPW-UHFFFAOYSA-N 1 1 265.360 3.414 20 30 CGEDMO CCCCCCC[N@H+]1CCC2(CN(C(=O)[C@@H](F)CC)C2)C1 ZINC001148045987 805160107 /nfs/dbraw/zinc/16/01/07/805160107.db2.gz UKNYVYSORAWWEN-HNNXBMFYSA-N 1 1 298.446 3.239 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C)CC(=C)C)C2)C1 ZINC001148147646 805164913 /nfs/dbraw/zinc/16/49/13/805164913.db2.gz XIHAVGHPNXLDHB-INIZCTEOSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(CN(C(=O)CCC(C)(C)C)C2)C1 ZINC001148472093 805184703 /nfs/dbraw/zinc/18/47/03/805184703.db2.gz VWDDJQQRPLVJFN-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO N#CCc1cc(Nc2cc[nH+]cc2C(F)(F)F)ccc1F ZINC001249596901 805186552 /nfs/dbraw/zinc/18/65/52/805186552.db2.gz CUMSBZKFROATDH-UHFFFAOYSA-N 1 1 295.239 3.471 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@H](CC)CCC)C2)C1 ZINC001148506593 805191056 /nfs/dbraw/zinc/19/10/56/805191056.db2.gz GQXXHSSNPDDCEQ-CQSZACIVSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@H](CC)CCC)C2)C1 ZINC001148506593 805191061 /nfs/dbraw/zinc/19/10/61/805191061.db2.gz GQXXHSSNPDDCEQ-CQSZACIVSA-N 1 1 298.858 3.100 20 30 CGEDMO CCCCCCCC(=O)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC001149670567 805240889 /nfs/dbraw/zinc/24/08/89/805240889.db2.gz FGXXRYCGKVYAKY-CALCHBBNSA-N 1 1 280.456 3.147 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(F)cc1 ZINC001151571805 805299034 /nfs/dbraw/zinc/29/90/34/805299034.db2.gz AIQMWQHFQAMNRL-CQSZACIVSA-N 1 1 292.398 3.232 20 30 CGEDMO C=CCCC(=O)NC[C@@H](C)[N@@H+](CC)CCc1cccs1 ZINC001152313432 805343478 /nfs/dbraw/zinc/34/34/78/805343478.db2.gz LHNVTUVTQAIKJR-CQSZACIVSA-N 1 1 294.464 3.083 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001153433808 805396367 /nfs/dbraw/zinc/39/63/67/805396367.db2.gz ZHBGANGVPXBINA-OWCLPIDISA-N 1 1 294.483 3.461 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001153549771 805401661 /nfs/dbraw/zinc/40/16/61/805401661.db2.gz WWQZZKFFVJEABZ-HZPDHXFCSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001154275970 805444488 /nfs/dbraw/zinc/44/44/88/805444488.db2.gz WLFYAVWKOYUBAO-RBSFLKMASA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)C1(C)CCCC1 ZINC001154504860 805460345 /nfs/dbraw/zinc/46/03/45/805460345.db2.gz AXDWJEOZQVLGDP-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CCCCCCC(=O)NC[C@@H](C)[N@H+](CC)C[C@@H](C)CC ZINC001154609533 805467874 /nfs/dbraw/zinc/46/78/74/805467874.db2.gz LSEFBMPXWUBUHD-DLBZAZTESA-N 1 1 294.483 3.443 20 30 CGEDMO C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](F)CC ZINC001154656435 805474703 /nfs/dbraw/zinc/47/47/03/805474703.db2.gz HOWHVBMOKVBQTI-CABCVRRESA-N 1 1 286.435 3.308 20 30 CGEDMO CC#CCCCC(=O)NC[C@@H](C)[N@H+](CC)C[C@H](C)CC ZINC001154719876 805479528 /nfs/dbraw/zinc/47/95/28/805479528.db2.gz OFNFNEPSBFULTM-HZPDHXFCSA-N 1 1 280.456 3.053 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)C/C=C\Cl ZINC001154750890 805483258 /nfs/dbraw/zinc/48/32/58/805483258.db2.gz FGAGINSDLQMYKF-CQUCYFNQSA-N 1 1 286.847 3.168 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)c1ccsc1 ZINC001155200431 805555578 /nfs/dbraw/zinc/55/55/78/805555578.db2.gz PUZUBBSHRBKEMT-ZIAGYGMSSA-N 1 1 294.464 3.254 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)c1ccco1 ZINC001155205761 805557133 /nfs/dbraw/zinc/55/71/33/805557133.db2.gz QGDYJTXYJNKKRM-CABCVRRESA-N 1 1 292.423 3.176 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@@H]2CCO[C@@H](c3ccccc3)C2)C1 ZINC001256823764 806986930 /nfs/dbraw/zinc/98/69/30/806986930.db2.gz LDNLVYPBJHAFKP-KBAYOESNSA-N 1 1 269.388 3.252 20 30 CGEDMO Cc1ccc(CC#N)c(N2CCC3(CC(F)C3)CC2)[nH+]1 ZINC001165309927 806992836 /nfs/dbraw/zinc/99/28/36/806992836.db2.gz MTWYENGESLEQQD-UHFFFAOYSA-N 1 1 273.355 3.175 20 30 CGEDMO N#CC1CCC([N@@H+]2CCCC(F)(F)[C@@H](F)C2)CC1 ZINC001256963721 807017716 /nfs/dbraw/zinc/01/77/16/807017716.db2.gz LGSOGSIWYGCDQG-MCIGGMRASA-N 1 1 260.303 3.138 20 30 CGEDMO N#Cc1ccc(C2CCC([N@H+]3C[C@@H]4COC[C@@H]4C3)CC2)cc1 ZINC001257016933 807027890 /nfs/dbraw/zinc/02/78/90/807027890.db2.gz KQIVJQVELWZZHC-FXSDRFNOSA-N 1 1 296.414 3.163 20 30 CGEDMO C=CCN(Cc1ccccc1)c1nc(N2CCCC2)cc[nH+]1 ZINC001167122335 807154787 /nfs/dbraw/zinc/15/47/87/807154787.db2.gz BFYQFJHWZUSLDV-UHFFFAOYSA-N 1 1 294.402 3.269 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CCC(F)(F)[C@@H](CO)C3)C[C@H](C1)C2 ZINC001257890875 807240789 /nfs/dbraw/zinc/24/07/89/807240789.db2.gz BQJZPRVRSLWRIZ-PEUVFPKISA-N 1 1 285.378 3.071 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCCNc1cccc(/C=N/O)c1 ZINC001167752858 807242009 /nfs/dbraw/zinc/24/20/09/807242009.db2.gz HZLICGDCLWUISI-RAOBZKRQSA-N 1 1 275.396 3.171 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCC[C@H](C)[C@H]3CO)C[C@H](C1)C2 ZINC001257892477 807242143 /nfs/dbraw/zinc/24/21/43/807242143.db2.gz YZSRCLCTDFSCQE-PQAIKRCPSA-N 1 1 263.425 3.214 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CC[C@@H]4COC[C@@H]4C3)C[C@H](C1)C2 ZINC001257892433 807242615 /nfs/dbraw/zinc/24/26/15/807242615.db2.gz YKAOXIMSEUBYLG-VPEURPPWSA-N 1 1 261.409 3.090 20 30 CGEDMO C=C1C[C@@H]2CC([NH+]3C[C@@H]4CN(CC)C[C@H]4C3)C[C@H](C1)C2 ZINC001257894378 807243428 /nfs/dbraw/zinc/24/34/28/807243428.db2.gz RLLPUDKHPLQFLF-JAYDDXHTSA-N 1 1 274.452 3.005 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3C[C@H]4CC[C@@H](C3)C4=O)C[C@H](C1)C2 ZINC001257895216 807245571 /nfs/dbraw/zinc/24/55/71/807245571.db2.gz LZNIDGIZHBOKCV-GJZITSJHSA-N 1 1 259.393 3.032 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C ZINC001258048360 807275180 /nfs/dbraw/zinc/27/51/80/807275180.db2.gz UCKQLRPDONOZCE-ARFHVFGLSA-N 1 1 280.456 3.431 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1CCCC[C@@H]1C(N)=O ZINC001258047083 807275950 /nfs/dbraw/zinc/27/59/50/807275950.db2.gz GTNGLKOWWLUPOA-ZIAGYGMSSA-N 1 1 254.418 3.075 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1CCN(C(C)=O)C[C@@H]1C ZINC001258050385 807276365 /nfs/dbraw/zinc/27/63/65/807276365.db2.gz TXNVPBZFECTIMG-CABCVRRESA-N 1 1 268.445 3.288 20 30 CGEDMO CCCCCCC[C@@H](C)[N@@H+]1CC(=O)N2CCC[C@@H]2C1 ZINC001258050475 807277314 /nfs/dbraw/zinc/27/73/14/807277314.db2.gz VSQHFWVTZOECPK-HUUCEWRRSA-N 1 1 266.429 3.042 20 30 CGEDMO CCCCCCC[C@H](C)[N@@H+]1CC(=O)N2CCC[C@@H]2C1 ZINC001258050476 807277467 /nfs/dbraw/zinc/27/74/67/807277467.db2.gz VSQHFWVTZOECPK-LSDHHAIUSA-N 1 1 266.429 3.042 20 30 CGEDMO C=CC[N@H+](C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)C1CC1 ZINC001168437667 807414021 /nfs/dbraw/zinc/41/40/21/807414021.db2.gz LZEDBBGZYSSCOA-ZIAGYGMSSA-N 1 1 294.439 3.140 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@@H]1CCc2cc(F)ccc2C1 ZINC001168438056 807414248 /nfs/dbraw/zinc/41/42/48/807414248.db2.gz LJTRNFXQJPUXID-MRXNPFEDSA-N 1 1 260.356 3.309 20 30 CGEDMO C=CC[C@@](C)([NH2+]C1CCC(CCC)CC1)C(=O)OC ZINC001258530629 807487770 /nfs/dbraw/zinc/48/77/70/807487770.db2.gz NSKKNPDPNKZZHD-ZBCRRDGASA-N 1 1 267.413 3.443 20 30 CGEDMO C=CCC[C@@H](C)[NH2+][C@@H](CCc1ccccc1)C(=O)OC ZINC001258723230 807571436 /nfs/dbraw/zinc/57/14/36/807571436.db2.gz YECUCDNSGXYKAT-ZBFHGGJFSA-N 1 1 275.392 3.105 20 30 CGEDMO C=CCC[C@@H](C)[NH2+]C1CCN(CC(C)(C)C)CC1 ZINC001258723192 807571475 /nfs/dbraw/zinc/57/14/75/807571475.db2.gz SYBAFZXTTMYXOT-CQSZACIVSA-N 1 1 252.446 3.441 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC001258725832 807573185 /nfs/dbraw/zinc/57/31/85/807573185.db2.gz NOVAPMKFYFGGNQ-RDJZCZTQSA-N 1 1 258.409 3.330 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@H]2CCC[C@@]2(COCC)C1 ZINC001258727400 807574567 /nfs/dbraw/zinc/57/45/67/807574567.db2.gz GUCVSUFJGHQUTR-XHSDSOJGSA-N 1 1 251.414 3.480 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H](CC(=O)OCC)C1 ZINC001258726423 807574696 /nfs/dbraw/zinc/57/46/96/807574696.db2.gz SLKOQUMEGUHVRR-ZIAGYGMSSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC001258729978 807576391 /nfs/dbraw/zinc/57/63/91/807576391.db2.gz ZZEFBZVBVUNSTG-KFWWJZLASA-N 1 1 294.439 3.425 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C ZINC001258728964 807576800 /nfs/dbraw/zinc/57/68/00/807576800.db2.gz RPNYRONHQBJYKI-IHRRRGAJSA-N 1 1 280.412 3.035 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(c2cccc(C)n2)CC1 ZINC001258732695 807578689 /nfs/dbraw/zinc/57/86/89/807578689.db2.gz PAZYDESGBWMHRM-MRXNPFEDSA-N 1 1 273.424 3.257 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](C(=O)OCCCC)C1 ZINC001258735812 807582140 /nfs/dbraw/zinc/58/21/40/807582140.db2.gz CYOLAWFZYQUFPI-KBPBESRZSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)Cc1cn2ccc(C)cc2n1 ZINC001258735808 807582079 /nfs/dbraw/zinc/58/20/79/807582079.db2.gz CLCGIUXZTMCLSS-AWEZNQCLSA-N 1 1 257.381 3.429 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](Oc2ccc(OC)cn2)C1 ZINC001258736546 807582668 /nfs/dbraw/zinc/58/26/68/807582668.db2.gz VWPMDJPQEZQZIH-GOEBONIOSA-N 1 1 290.407 3.288 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](N2Cc3ccccc3NC2=O)C1 ZINC001258736683 807584022 /nfs/dbraw/zinc/58/40/22/807584022.db2.gz YLKGPPJCBHQHOV-ZBFHGGJFSA-N 1 1 299.418 3.463 20 30 CGEDMO C=CC[N@H+]([C@@H](C)CC(=O)N(CC)CC)C1CCCCC1 ZINC001169486390 807650472 /nfs/dbraw/zinc/65/04/72/807650472.db2.gz HVNBBBOHUHVVHK-HNNXBMFYSA-N 1 1 280.456 3.454 20 30 CGEDMO COc1ccccc1C[C@@H](C)[N@H+]1CCC[C@@H](C#N)CC1 ZINC001258893398 807666180 /nfs/dbraw/zinc/66/61/80/807666180.db2.gz IQTXBWRDIDCKBL-HUUCEWRRSA-N 1 1 272.392 3.252 20 30 CGEDMO C[N@@H+](Cc1cc2ccccc2[nH]1)[C@@H]1CC[C@H](C#N)C1 ZINC001261237209 807717822 /nfs/dbraw/zinc/71/78/22/807717822.db2.gz KVMDOJDZDGEUSF-SWLSCSKDSA-N 1 1 253.349 3.292 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@H]1CCCC2(C1)OCCO2 ZINC001169955830 807730137 /nfs/dbraw/zinc/73/01/37/807730137.db2.gz LIDCXSXFGNTQTO-KRWDZBQOSA-N 1 1 287.403 3.360 20 30 CGEDMO CC[N@@H+](CCN(C)C)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170375998 807832009 /nfs/dbraw/zinc/83/20/09/807832009.db2.gz JBYUEIZMRJIGGU-UHFFFAOYSA-N 1 1 299.462 3.274 20 30 CGEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCCC23COC3)CC1 ZINC001170389288 807833476 /nfs/dbraw/zinc/83/34/76/807833476.db2.gz QGQYBAHKLNQAFX-UHFFFAOYSA-N 1 1 296.414 3.255 20 30 CGEDMO Cc1cc2cc[nH+]c(NCC#Cc3ccccc3)c2[nH]1 ZINC001170423684 807838539 /nfs/dbraw/zinc/83/85/39/807838539.db2.gz DRTTWFHVORZTKW-UHFFFAOYSA-N 1 1 261.328 3.335 20 30 CGEDMO CC#CC[N@@H+](C)CCc1cc(Cl)cc(Cl)c1 ZINC001170702014 807878349 /nfs/dbraw/zinc/87/83/49/807878349.db2.gz LXIFGVYAYXVVJT-UHFFFAOYSA-N 1 1 256.176 3.491 20 30 CGEDMO N#CC[C@H]1CCC[N@H+]([C@@H]2CCc3cccc(F)c3C2)C1 ZINC001171002248 807956770 /nfs/dbraw/zinc/95/67/70/807956770.db2.gz TXXUTPSPTKTAGC-UKRRQHHQSA-N 1 1 272.367 3.309 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+]([C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171056648 807975264 /nfs/dbraw/zinc/97/52/64/807975264.db2.gz MCEXWYIWAVINNF-CZUORRHYSA-N 1 1 274.795 3.433 20 30 CGEDMO C[C@]1(C#N)CC[N@H+]([C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171056648 807975267 /nfs/dbraw/zinc/97/52/67/807975267.db2.gz MCEXWYIWAVINNF-CZUORRHYSA-N 1 1 274.795 3.433 20 30 CGEDMO CCCNc1cc[nH+]c(N[C@@H]2CCc3c2cccc3C#N)n1 ZINC001171059033 807976478 /nfs/dbraw/zinc/97/64/78/807976478.db2.gz FCGDTQOZVDGQDN-OAHLLOKOSA-N 1 1 293.374 3.270 20 30 CGEDMO C[C@@H]1CCC(C)(C)[N@H+]1CCOc1ccccc1C#N ZINC001171078207 807980480 /nfs/dbraw/zinc/98/04/80/807980480.db2.gz JMSHCAJEZMDDOO-CYBMUJFWSA-N 1 1 258.365 3.200 20 30 CGEDMO C=CCC1(C(=O)N(C)C[C@@H]2CC[N@H+]2CC=C(C)C)CCC1 ZINC001263809515 808006686 /nfs/dbraw/zinc/00/66/86/808006686.db2.gz MPMQAHTYIOHVMF-INIZCTEOSA-N 1 1 290.451 3.232 20 30 CGEDMO CCN(CC)CC[N@H+](CC)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171221569 808010961 /nfs/dbraw/zinc/01/09/61/808010961.db2.gz PEICFMJVSUGYHC-INIZCTEOSA-N 1 1 287.451 3.153 20 30 CGEDMO CCN(CC)CC[N@@H+](CC)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171221569 808010968 /nfs/dbraw/zinc/01/09/68/808010968.db2.gz PEICFMJVSUGYHC-INIZCTEOSA-N 1 1 287.451 3.153 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCc2ncsc2C1 ZINC001171222331 808012474 /nfs/dbraw/zinc/01/24/74/808012474.db2.gz FTAFXZUIFSKKQK-LBPRGKRZSA-N 1 1 283.400 3.004 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@H](COCC2CC2)C1 ZINC001171230271 808014563 /nfs/dbraw/zinc/01/45/63/808014563.db2.gz UUQVCZPEXNPRLK-BEFAXECRSA-N 1 1 298.430 3.238 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)CCC)C[C@@H]2C1 ZINC001264098667 808035346 /nfs/dbraw/zinc/03/53/46/808035346.db2.gz SXLIFZLRBAOGFP-ZACQAIPSSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCOc1ccccc1[C@@H](C)Nc1cc[nH+]c(CN)c1 ZINC001171374329 808037369 /nfs/dbraw/zinc/03/73/69/808037369.db2.gz PVWAISJMFQSVPF-CYBMUJFWSA-N 1 1 283.375 3.278 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](CCCCCC)[C@@H]1C ZINC001264156026 808041062 /nfs/dbraw/zinc/04/10/62/808041062.db2.gz JCRMALLXZBKBBV-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C=C(C)C)CC(C)(C)C1 ZINC001264191458 808045998 /nfs/dbraw/zinc/04/59/98/808045998.db2.gz PVWIKKGHPKBILJ-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO CCc1ccc[nH+]c1NCCOc1ccc(C#N)cc1 ZINC001171482229 808072702 /nfs/dbraw/zinc/07/27/02/808072702.db2.gz GVENFTOYJPBPHF-UHFFFAOYSA-N 1 1 267.332 3.007 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+]([C@@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171493041 808075089 /nfs/dbraw/zinc/07/50/89/808075089.db2.gz LIJRLEAFIJJBOC-SWLSCSKDSA-N 1 1 290.357 3.448 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+]([C@@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171497862 808078360 /nfs/dbraw/zinc/07/83/60/808078360.db2.gz WXVFUPGZAYGADA-CZUORRHYSA-N 1 1 276.330 3.058 20 30 CGEDMO C[C@]1(C#N)CC[N@H+]([C@@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171497862 808078363 /nfs/dbraw/zinc/07/83/63/808078363.db2.gz WXVFUPGZAYGADA-CZUORRHYSA-N 1 1 276.330 3.058 20 30 CGEDMO CC[N@H+](CCC#N)[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171542525 808089479 /nfs/dbraw/zinc/08/94/79/808089479.db2.gz SFGGCQHCUTWFEV-LLVKDONJSA-N 1 1 282.309 3.197 20 30 CGEDMO CC[N@@H+](CCC#N)[C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171542525 808089489 /nfs/dbraw/zinc/08/94/89/808089489.db2.gz SFGGCQHCUTWFEV-LLVKDONJSA-N 1 1 282.309 3.197 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1CC ZINC001264744272 808091836 /nfs/dbraw/zinc/09/18/36/808091836.db2.gz QERTWLSRMUAVOH-IXDOHACOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCNC(=O)C[C@H]1CC[C@H](C)C1 ZINC001265022752 808103461 /nfs/dbraw/zinc/10/34/61/808103461.db2.gz KCBDUSDKLTWELA-HOTGVXAUSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@@H+](C)CCCNC(=O)c1ccc(C)cc1Cl ZINC001265037645 808105215 /nfs/dbraw/zinc/10/52/15/808105215.db2.gz JBRAWGZAHCRPDR-UHFFFAOYSA-N 1 1 294.826 3.276 20 30 CGEDMO C=CC[N@@H+](CC)CCCNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001265114694 808111269 /nfs/dbraw/zinc/11/12/69/808111269.db2.gz LASXGMNETUMENX-LSDHHAIUSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N(C)C1CC[NH+](CC(=C)Cl)CC1 ZINC001265195763 808118217 /nfs/dbraw/zinc/11/82/17/808118217.db2.gz LNOBPJZNDBQCIV-AWEZNQCLSA-N 1 1 298.858 3.264 20 30 CGEDMO C[C@@H]1C[C@@H](NC2(C#N)CCCC2)C[N@H+]1Cc1ccccc1 ZINC001171730847 808127206 /nfs/dbraw/zinc/12/72/06/808127206.db2.gz ZOXZGEJBZUPXPS-NVXWUHKLSA-N 1 1 283.419 3.075 20 30 CGEDMO CC(C)C[C@H](C#N)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171735463 808127762 /nfs/dbraw/zinc/12/77/62/808127762.db2.gz WIZSDFSROAULPI-NXHRZFHOSA-N 1 1 285.435 3.177 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC)cc2)C1 ZINC001265314392 808130545 /nfs/dbraw/zinc/13/05/45/808130545.db2.gz ABFAPFJZKBQPEV-QGZVFWFLSA-N 1 1 286.419 3.019 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@]1(C)CC=CCC1 ZINC001265644861 808163456 /nfs/dbraw/zinc/16/34/56/808163456.db2.gz DBNVTDXQCZVNRD-FUHWJXTLSA-N 1 1 290.451 3.280 20 30 CGEDMO CC[C@H](C#N)N[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171974029 808163725 /nfs/dbraw/zinc/16/37/25/808163725.db2.gz BNRXUZRKDOCMEH-SJORKVTESA-N 1 1 285.435 3.321 20 30 CGEDMO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+]1CC[C@H](C#N)C1 ZINC001171975722 808163775 /nfs/dbraw/zinc/16/37/75/808163775.db2.gz ZELGUUQIWLSHIS-WCQYABFASA-N 1 1 282.309 3.482 20 30 CGEDMO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@H](C#N)C1 ZINC001171975722 808163778 /nfs/dbraw/zinc/16/37/78/808163778.db2.gz ZELGUUQIWLSHIS-WCQYABFASA-N 1 1 282.309 3.482 20 30 CGEDMO CCCCCCCC[N@@H+](C)[C@@H]1CCN(CC)C(=O)C1 ZINC001172043984 808168647 /nfs/dbraw/zinc/16/86/47/808168647.db2.gz RIEJRQQQDIZUTG-OAHLLOKOSA-N 1 1 268.445 3.290 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)CCCC(C)C)C1 ZINC001266110939 808213059 /nfs/dbraw/zinc/21/30/59/808213059.db2.gz SGGDDZNKSOQBGA-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC001172307023 808221753 /nfs/dbraw/zinc/22/17/53/808221753.db2.gz MDLIENPCNZCQPW-HNAYVOBHSA-N 1 1 291.398 3.374 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001172309087 808223561 /nfs/dbraw/zinc/22/35/61/808223561.db2.gz QKVDXISYDZCPNJ-XYPHTWIQSA-N 1 1 254.377 3.221 20 30 CGEDMO Cc1ccc(C[N@H+](C)[C@H](C)Cc2ccc(C#N)cc2)cn1 ZINC001172313569 808224358 /nfs/dbraw/zinc/22/43/58/808224358.db2.gz ZWDXIPZGXOPVGW-OAHLLOKOSA-N 1 1 279.387 3.325 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H](NC(=O)C2=CCCCCC2)C1 ZINC001266215574 808229006 /nfs/dbraw/zinc/22/90/06/808229006.db2.gz LYVIRHLBLKCIFB-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC2(CCC2)C1 ZINC001172320264 808229296 /nfs/dbraw/zinc/22/92/96/808229296.db2.gz UKAUIFJAMAVBMD-CQSZACIVSA-N 1 1 254.377 3.365 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)C[C@H]1CC1(C)C ZINC001172319575 808229444 /nfs/dbraw/zinc/22/94/44/808229444.db2.gz OXBCVXSMCNMCJE-XJKSGUPXSA-N 1 1 256.393 3.467 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)C[C@H](C)CCCCC)C1 ZINC001266242986 808231927 /nfs/dbraw/zinc/23/19/27/808231927.db2.gz KEYQDFUKVPEFPB-SJORKVTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCCC(=O)NCC[N@@H+](C)Cc1ccccc1Cl ZINC001266315777 808241607 /nfs/dbraw/zinc/24/16/07/808241607.db2.gz FEISSRWSWQXZBV-UHFFFAOYSA-N 1 1 294.826 3.244 20 30 CGEDMO C=CCCCC(=O)NCC[N@H+](C)Cc1ccccc1Cl ZINC001266315777 808241611 /nfs/dbraw/zinc/24/16/11/808241611.db2.gz FEISSRWSWQXZBV-UHFFFAOYSA-N 1 1 294.826 3.244 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC001266357149 808248170 /nfs/dbraw/zinc/24/81/70/808248170.db2.gz ZDZDHVOOYZQURY-KRWDZBQOSA-N 1 1 286.419 3.074 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CCCC[C@@H]1C(N)=O ZINC001172355459 808251503 /nfs/dbraw/zinc/25/15/03/808251503.db2.gz OUAXWKRWSGEFGS-LSDHHAIUSA-N 1 1 268.445 3.465 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC001172356597 808252850 /nfs/dbraw/zinc/25/28/50/808252850.db2.gz XWGUHFDMHSACBY-JKSUJKDBSA-N 1 1 280.456 3.432 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@@H+](C)CC(=O)NCC ZINC001172358861 808254148 /nfs/dbraw/zinc/25/41/48/808254148.db2.gz SHXIVOAPHFEKEE-CQSZACIVSA-N 1 1 256.434 3.193 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)C[C@@H]1CCC[C@@H]1C ZINC001266392442 808255647 /nfs/dbraw/zinc/25/56/47/808255647.db2.gz HSLWLGXVUFITOR-HOTGVXAUSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC001266413666 808259274 /nfs/dbraw/zinc/25/92/74/808259274.db2.gz QYWCVPUJMFZTPD-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)[C@H]1CCC[C@@H](C)C1 ZINC001266413664 808259617 /nfs/dbraw/zinc/25/96/17/808259617.db2.gz QYWCVPUJMFZTPD-CVEARBPZSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC(C)(C)C(=O)NCC[N@H+](CC)Cc1ccccc1 ZINC001266420416 808261754 /nfs/dbraw/zinc/26/17/54/808261754.db2.gz JXHLMNJMWGBRFE-UHFFFAOYSA-N 1 1 288.435 3.227 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)CCC2CCCC2)C1 ZINC001266449021 808267785 /nfs/dbraw/zinc/26/77/85/808267785.db2.gz XQBXBEIFUMUUBP-QGZVFWFLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCC[C@@H](C[N@@H+](C)CC=C)C1 ZINC001266460223 808268628 /nfs/dbraw/zinc/26/86/28/808268628.db2.gz XWLBZOAQYLESTF-INIZCTEOSA-N 1 1 290.451 3.111 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)CC(C)=C(C)C)C1 ZINC001266464392 808271213 /nfs/dbraw/zinc/27/12/13/808271213.db2.gz ZURYZXPEAXBMLI-MRXNPFEDSA-N 1 1 278.440 3.089 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC=CCC1 ZINC001266474858 808272691 /nfs/dbraw/zinc/27/26/91/808272691.db2.gz XOZXPOBUAHCBFS-HUUCEWRRSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC=CCC1 ZINC001266474858 808272694 /nfs/dbraw/zinc/27/26/94/808272694.db2.gz XOZXPOBUAHCBFS-HUUCEWRRSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)C(C)=C2CCCC2)C1 ZINC001266509866 808278929 /nfs/dbraw/zinc/27/89/29/808278929.db2.gz UPLDXSNEQQLIQD-MRXNPFEDSA-N 1 1 290.451 3.281 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)C(CC)CC)C1 ZINC001266520504 808280774 /nfs/dbraw/zinc/28/07/74/808280774.db2.gz OIMFJRSCANYHDU-GJZGRUSLSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1CC[N@H+](CCCC(C)C)C1 ZINC001266537517 808284195 /nfs/dbraw/zinc/28/41/95/808284195.db2.gz NRKHJFUJFHTLNY-INIZCTEOSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCOC(=O)N[C@H]1CCC[N@H+]([C@@H](CC)CC(C)C)C1 ZINC001172401650 808290656 /nfs/dbraw/zinc/29/06/56/808290656.db2.gz GIQPGPGQRKCWKE-GJZGRUSLSA-N 1 1 282.428 3.188 20 30 CGEDMO C#CC[N@H+]([C@@H](C)CCOCC)[C@@H]1CCc2ccccc21 ZINC001172429019 808305894 /nfs/dbraw/zinc/30/58/94/808305894.db2.gz QSBCYWRLNCPZCE-MAUKXSAKSA-N 1 1 271.404 3.424 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)CC(C)C)C1 ZINC001266767498 808313790 /nfs/dbraw/zinc/31/37/90/808313790.db2.gz OQSYDHZDZRIZRQ-MRXNPFEDSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](CNC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001266770127 808313922 /nfs/dbraw/zinc/31/39/22/808313922.db2.gz OZOPULRGIFCDNO-AWEZNQCLSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)C1CC1 ZINC001266853526 808323251 /nfs/dbraw/zinc/32/32/51/808323251.db2.gz NNOFRQZPUCRFLO-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001266893622 808331659 /nfs/dbraw/zinc/33/16/59/808331659.db2.gz CYORYQZDJQFOOT-GOEBONIOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccco2)C1 ZINC001266889165 808331978 /nfs/dbraw/zinc/33/19/78/808331978.db2.gz IHODYGREWGOLKG-HUUCEWRRSA-N 1 1 290.407 3.076 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC001266896094 808333885 /nfs/dbraw/zinc/33/38/85/808333885.db2.gz WXAFEYDFPGLVOB-HOTGVXAUSA-N 1 1 292.467 3.215 20 30 CGEDMO CC[C@H](C)[C@H]([NH2+][C@@H](C)CCCC#N)C(=O)OC(C)(C)C ZINC001172486962 808347844 /nfs/dbraw/zinc/34/78/44/808347844.db2.gz FZQNIEPSETYXIR-IHRRRGAJSA-N 1 1 282.428 3.415 20 30 CGEDMO CC[N@@H+](CCN(C)C(=O)OC(C)(C)C)[C@@H](C)CCCC#N ZINC001172498636 808355047 /nfs/dbraw/zinc/35/50/47/808355047.db2.gz OWIWHMVXYWDNFK-AWEZNQCLSA-N 1 1 297.443 3.258 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)C2CCCC2)C1 ZINC001267101625 808358103 /nfs/dbraw/zinc/35/81/03/808358103.db2.gz WBHDABHHYFRSHH-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)C/C=C(/C)C=C)C1 ZINC001267107921 808360396 /nfs/dbraw/zinc/36/03/96/808360396.db2.gz IVQNYFMGVUHIJR-NIFLVVHWSA-N 1 1 290.451 3.398 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCCC[C@@H]1CN1CCCC1 ZINC001172504271 808360298 /nfs/dbraw/zinc/36/02/98/808360298.db2.gz FRMNVCNYKZXAFQ-JKSUJKDBSA-N 1 1 263.429 3.019 20 30 CGEDMO C[C@@H](CCCC#N)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001172504271 808360306 /nfs/dbraw/zinc/36/03/06/808360306.db2.gz FRMNVCNYKZXAFQ-JKSUJKDBSA-N 1 1 263.429 3.019 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001172504313 808360318 /nfs/dbraw/zinc/36/03/18/808360318.db2.gz GKTJIXZJTYYPNP-GOEBONIOSA-N 1 1 257.381 3.171 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1C[C@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC001172503990 808361341 /nfs/dbraw/zinc/36/13/41/808361341.db2.gz DHKYCXWSWUKYEL-BHIYHBOVSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@H](CCCC#N)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001172503990 808361346 /nfs/dbraw/zinc/36/13/46/808361346.db2.gz DHKYCXWSWUKYEL-BHIYHBOVSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@H](CCCC#N)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001172503990 808361356 /nfs/dbraw/zinc/36/13/56/808361356.db2.gz DHKYCXWSWUKYEL-BHIYHBOVSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CC[C@@H]1COCc1ccccc1 ZINC001172507054 808362668 /nfs/dbraw/zinc/36/26/68/808362668.db2.gz OGYCLIVSNWDKIP-NVXWUHKLSA-N 1 1 272.392 3.360 20 30 CGEDMO CCCCCCC[C@H](CCC)[NH2+][C@](N)(CC)CO ZINC001172508386 808363769 /nfs/dbraw/zinc/36/37/69/808363769.db2.gz JTZCFBFLMFDDPO-LSDHHAIUSA-N 1 1 258.450 3.163 20 30 CGEDMO CCCCCCC[C@@H](CCC)[N@@H+](C)CC(=O)NC ZINC001172509094 808365366 /nfs/dbraw/zinc/36/53/66/808365366.db2.gz SKNXYNHESUESMZ-CQSZACIVSA-N 1 1 256.434 3.193 20 30 CGEDMO C=CC(C)(C)C(=O)NCCC[C@H]1CCC[N@@H+]1C[C@H](F)CC ZINC001267172116 808372699 /nfs/dbraw/zinc/37/26/99/808372699.db2.gz WNMGPSKMMKNTSP-CABCVRRESA-N 1 1 298.446 3.308 20 30 CGEDMO C=CC(C)(C)C(=O)NCCC[C@@H]1CCC[N@@H+]1C[C@H](F)CC ZINC001267172118 808373077 /nfs/dbraw/zinc/37/30/77/808373077.db2.gz WNMGPSKMMKNTSP-HUUCEWRRSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CCCNC(=O)C(C)(C)CC ZINC001267175683 808374220 /nfs/dbraw/zinc/37/42/20/808374220.db2.gz SYCFEAZFSCXZCP-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)C[C@@H](C)C1CC1 ZINC001267181761 808374580 /nfs/dbraw/zinc/37/45/80/808374580.db2.gz NGCLZWIIOGJYPA-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+](C)CCNC(=O)[C@@H](C)CCC(C)(C)C ZINC001267226283 808387252 /nfs/dbraw/zinc/38/72/52/808387252.db2.gz QNNHPEDCAKCAGT-AWEZNQCLSA-N 1 1 268.445 3.073 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)c1cc(C)c(C)o1)C(C)C ZINC001267243974 808392942 /nfs/dbraw/zinc/39/29/42/808392942.db2.gz QPGJCVUPCUVRDP-UHFFFAOYSA-N 1 1 292.423 3.303 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)CC1(C)CCCCC1 ZINC001267245129 808395605 /nfs/dbraw/zinc/39/56/05/808395605.db2.gz WSMIUSVSMIBKPO-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)c1c[nH]c2ccc(C)cc21 ZINC001267257020 808396595 /nfs/dbraw/zinc/39/65/95/808396595.db2.gz MASIEYCHOFUNND-UHFFFAOYSA-N 1 1 299.418 3.104 20 30 CGEDMO C=CCCC[N@H+](CC)CCNC(=O)c1ccc(F)cc1C ZINC001267255700 808397263 /nfs/dbraw/zinc/39/72/63/808397263.db2.gz PTZNMOGSYGPPRT-UHFFFAOYSA-N 1 1 292.398 3.152 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](CCCC)C(C)C ZINC001267282034 808403938 /nfs/dbraw/zinc/40/39/38/808403938.db2.gz AIYNYUVHRRRJTN-DLBZAZTESA-N 1 1 292.467 3.053 20 30 CGEDMO C#CCC[N@H+](CCCNC(=O)C(C)(C)C1CCC1)C(C)C ZINC001267293917 808406016 /nfs/dbraw/zinc/40/60/16/808406016.db2.gz CSDMGIHTYOHISM-UHFFFAOYSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CC[N@H+](CCCCC)C2)CCC1 ZINC001267301874 808408261 /nfs/dbraw/zinc/40/82/61/808408261.db2.gz HYKGKNSQVJPZTJ-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)[C@H](C)c1ccc(C)o1 ZINC001267318368 808414025 /nfs/dbraw/zinc/41/40/25/808414025.db2.gz WWZZHJVBBLAGSU-OAHLLOKOSA-N 1 1 292.423 3.096 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172722027 808419480 /nfs/dbraw/zinc/41/94/80/808419480.db2.gz NAEXRQVPVNTOEN-LRDDRELGSA-N 1 1 259.780 3.152 20 30 CGEDMO C=CC[C@@H]([NH2+]C1CCC2(CCCC2)CC1)C(=O)OC ZINC001172724226 808420317 /nfs/dbraw/zinc/42/03/17/808420317.db2.gz OMRXLIVFAMTXFD-CQSZACIVSA-N 1 1 265.397 3.197 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H](C)CCCC)C1 ZINC001267459535 808429165 /nfs/dbraw/zinc/42/91/65/808429165.db2.gz KTBQILPWPXZGMZ-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)C[C@H]2C=CCC2)C1 ZINC001267500574 808433232 /nfs/dbraw/zinc/43/32/32/808433232.db2.gz GUZARBHSIASNBZ-DLBZAZTESA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)C2CCCCC2)C1 ZINC001267502307 808434821 /nfs/dbraw/zinc/43/48/21/808434821.db2.gz QPEQXCJQRVEBKM-CQSZACIVSA-N 1 1 298.858 3.147 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)[C@H]1CCC[C@@H](C)C1)C(C)C ZINC001267508131 808436531 /nfs/dbraw/zinc/43/65/31/808436531.db2.gz RSNLBLDPBKMHBJ-CVEARBPZSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C1CC(C)(C(=O)NCCC[N@H+](CCCC)C(C)C)C1 ZINC001267509285 808436707 /nfs/dbraw/zinc/43/67/07/808436707.db2.gz PVJSBJWSSHSKPP-UHFFFAOYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC(C)(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)CC ZINC001267530294 808440793 /nfs/dbraw/zinc/44/07/93/808440793.db2.gz PMQOUCPGOSMQMT-OAGGEKHMSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H](C)CC)C1 ZINC001267539891 808442042 /nfs/dbraw/zinc/44/20/42/808442042.db2.gz VKLZWVLZFZOKSU-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@H+]([C@H]1CCC[C@@H](C(=O)OC)CC1)C(C)(C)C ZINC001172803850 808442143 /nfs/dbraw/zinc/44/21/43/808442143.db2.gz RDHUGRUEVYFXLJ-KGLIPLIRSA-N 1 1 267.413 3.395 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CCC)C(=O)/C(C)=C/C)C1 ZINC001267541158 808442333 /nfs/dbraw/zinc/44/23/33/808442333.db2.gz WRUNYGMOGHLKMJ-NHKNYXOTSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC2(C)C)C1 ZINC001267565315 808447943 /nfs/dbraw/zinc/44/79/43/808447943.db2.gz ZMVSYGSEPHHPKG-CVEARBPZSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001267570337 808449189 /nfs/dbraw/zinc/44/91/89/808449189.db2.gz MZHXLNZJOJURRF-WBVHZDCISA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC)CC(C)C)C1 ZINC001267592992 808453286 /nfs/dbraw/zinc/45/32/86/808453286.db2.gz AJOICTIXMHQQBR-IRXDYDNUSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[C@@H]2C)C1 ZINC001267587201 808453312 /nfs/dbraw/zinc/45/33/12/808453312.db2.gz JINLLKZRNVLKSB-BBWFWOEESA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)C(C)(C)C2CC2)C1 ZINC001267629323 808460228 /nfs/dbraw/zinc/46/02/28/808460228.db2.gz SAHCMRKNUDAJCQ-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@](C)(CC)CCC)C1 ZINC001267633032 808461881 /nfs/dbraw/zinc/46/18/81/808461881.db2.gz YVEPKIPHLIGTQS-DOTOQJQBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H](C[N@H+](C)C[C@@H](F)CC)C1 ZINC001267669478 808467520 /nfs/dbraw/zinc/46/75/20/808467520.db2.gz FRQRQUYGHZYYQK-CABCVRRESA-N 1 1 298.446 3.117 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001267703935 808474642 /nfs/dbraw/zinc/47/46/42/808474642.db2.gz ZMRNEMMNVMENQF-BRWVUGGUSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)C(C)(C)CC=C)C1 ZINC001267749041 808483040 /nfs/dbraw/zinc/48/30/40/808483040.db2.gz HLCODAYASJYERZ-LSDHHAIUSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H](F)CC)CC2 ZINC001267974165 808523461 /nfs/dbraw/zinc/52/34/61/808523461.db2.gz OJNZBGJOECBREI-OAHLLOKOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC[N@H+](C)CCC1CCN(C(=O)CC(C)C)CC1 ZINC001268198775 808555443 /nfs/dbraw/zinc/55/54/43/808555443.db2.gz WLCZTLBMMSCBNC-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C#CCC[N@H+](C)CCC1CCN(C(=O)CC(C)(C)C)CC1 ZINC001268199835 808555777 /nfs/dbraw/zinc/55/57/77/808555777.db2.gz GEHHZCAFFIRJMY-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N(C)CC[N@@H+](C)CC1=CCCCC1 ZINC001268244553 808568081 /nfs/dbraw/zinc/56/80/81/808568081.db2.gz DFOGZJIOISHZPK-INIZCTEOSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCCCCC[NH+]1CC(NC(=O)c2occc2Cl)C1 ZINC001268447433 808588008 /nfs/dbraw/zinc/58/80/08/808588008.db2.gz WRTFCONQHWUZLM-UHFFFAOYSA-N 1 1 296.798 3.093 20 30 CGEDMO CCCCCCCC[C@H](CCC)[N@@H+](CCN)CCO ZINC001173308543 808604899 /nfs/dbraw/zinc/60/48/99/808604899.db2.gz AVCNTMSIXZBLGL-INIZCTEOSA-N 1 1 272.477 3.159 20 30 CGEDMO CCCCCCCC[C@H](CCC)N(CC[NH3+])CCO ZINC001173308543 808604912 /nfs/dbraw/zinc/60/49/12/808604912.db2.gz AVCNTMSIXZBLGL-INIZCTEOSA-N 1 1 272.477 3.159 20 30 CGEDMO C=CCOC1CCC([NH2+][C@@H]2CCN(C(C)C)C[C@@H]2C)CC1 ZINC001173319582 808610278 /nfs/dbraw/zinc/61/02/78/808610278.db2.gz NCNRPMFNWITSBW-FCCDEINASA-N 1 1 294.483 3.209 20 30 CGEDMO N#CCC1CCC([N@@H+]2C[C@H]3c4ccccc4C(=O)[C@H]3C2)CC1 ZINC001173331568 808616227 /nfs/dbraw/zinc/61/62/27/808616227.db2.gz QAVXDGQCNKPDET-GNNGFNCTSA-N 1 1 294.398 3.371 20 30 CGEDMO C[N@@H+](CC(=O)c1ccccc1)C1CCC(CC#N)CC1 ZINC001173336915 808617291 /nfs/dbraw/zinc/61/72/91/808617291.db2.gz QZPILJQOQRCKKB-UHFFFAOYSA-N 1 1 270.376 3.274 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC=CCCC1 ZINC001268734691 808618495 /nfs/dbraw/zinc/61/84/95/808618495.db2.gz GGVHJJILAWZGNQ-HZPDHXFCSA-N 1 1 278.440 3.136 20 30 CGEDMO N#CCC1CCC([N@H+]2CC[C@@H](C(F)(F)F)C2)CC1 ZINC001173338168 808618680 /nfs/dbraw/zinc/61/86/80/808618680.db2.gz AJFBGTLBRLKYTB-MOENNCHZSA-N 1 1 260.303 3.343 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC/C=C\CC ZINC001268960717 808637629 /nfs/dbraw/zinc/63/76/29/808637629.db2.gz ZWZDZNGUYKULQK-FLELRFNZSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)CC(C)(C)C ZINC001268987861 808640256 /nfs/dbraw/zinc/64/02/56/808640256.db2.gz HEISGKPKPJZTKX-GJZGRUSLSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)CC(C)(C)C ZINC001268987861 808640259 /nfs/dbraw/zinc/64/02/59/808640259.db2.gz HEISGKPKPJZTKX-GJZGRUSLSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)/C=C(\C)C2CC2)C1 ZINC001269005146 808641732 /nfs/dbraw/zinc/64/17/32/808641732.db2.gz GLUKKEFQXQOFDD-VOGRQWBCSA-N 1 1 290.451 3.280 20 30 CGEDMO Cc1nc([C@H]2CCC[N@H+](C3CCC(C)(C#N)CC3)C2)no1 ZINC001173594280 808649687 /nfs/dbraw/zinc/64/96/87/808649687.db2.gz XXHOCFSUSVVBGL-HLIUYOAVSA-N 1 1 288.395 3.030 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CC[C@](C)(F)[C@H](F)C2)CC1 ZINC001173594035 808650357 /nfs/dbraw/zinc/65/03/57/808650357.db2.gz POGLTDQDSFQHTA-HHTDUIENSA-N 1 1 256.340 3.231 20 30 CGEDMO CCC(CC)C[N@H+]1CC[C@H](N(C)C(=O)C#CC(C)(C)C)C1 ZINC001269240194 808660139 /nfs/dbraw/zinc/66/01/39/808660139.db2.gz JASURZWYTPGXCJ-INIZCTEOSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC(C)(C)C(=O)N(C)[C@@H]1CC[N@H+](CC2CC(C)C2)C1 ZINC001269279728 808662968 /nfs/dbraw/zinc/66/29/68/808662968.db2.gz CLMRXKASHIZZQN-UYSNPLJNSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC1(C(=O)N(C)[C@H]2CC[N@H+](CCCCC)C2)CCC1 ZINC001269275061 808663829 /nfs/dbraw/zinc/66/38/29/808663829.db2.gz QOOUQOAKDNYCTK-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)C(C)=C2CCC2)C1 ZINC001269323667 808670164 /nfs/dbraw/zinc/67/01/64/808670164.db2.gz ANWLCJXXNRLYGT-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]1CNC(=O)c1cccc(C2CC2)c1 ZINC001269352979 808673223 /nfs/dbraw/zinc/67/32/23/808673223.db2.gz YDTXDXDRIYPFLT-SFHVURJKSA-N 1 1 298.430 3.334 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)C3(CCC)CCC3)C2)C1 ZINC001269738073 808703002 /nfs/dbraw/zinc/70/30/02/808703002.db2.gz YELAUYTXAXSWRX-QGZVFWFLSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)C(CC(C)C)CC(C)C)C1 ZINC001270663868 808741342 /nfs/dbraw/zinc/74/13/42/808741342.db2.gz GHEOKEWHKAFHSP-SFHVURJKSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC(CC[N@H+](C)C(C)C)CC1 ZINC001271779558 808783876 /nfs/dbraw/zinc/78/38/76/808783876.db2.gz YWTCGTPUAMXLAC-UHFFFAOYSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)CCN(C)C(=O)/C(C)=C/CC ZINC001271969347 808791006 /nfs/dbraw/zinc/79/10/06/808791006.db2.gz HKBSKFVQIQVJOY-IPJDOKCGSA-N 1 1 266.429 3.088 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCC(C)C ZINC001272005873 808791802 /nfs/dbraw/zinc/79/18/02/808791802.db2.gz PDGIUIYAOWFINO-HZPDHXFCSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)/C(C)=C\CC ZINC001272003051 808791849 /nfs/dbraw/zinc/79/18/49/808791849.db2.gz BLFFNCGUYIMGDJ-XJBCQWDLSA-N 1 1 290.451 3.374 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CC1 ZINC001272045163 808794414 /nfs/dbraw/zinc/79/44/14/808794414.db2.gz UJQNPRGNHLUKSM-HZPDHXFCSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N(C)CC[N@H+](C)CC/C=C\CC ZINC001272080393 808796691 /nfs/dbraw/zinc/79/66/91/808796691.db2.gz MSPNUKOBGFFRPF-KTKRTIGZSA-N 1 1 280.456 3.335 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)CC=C)CC[C@@H]21 ZINC001272223529 808801751 /nfs/dbraw/zinc/80/17/51/808801751.db2.gz GGURNRDFCXKWSB-CVEARBPZSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(C)CN1CC[C@]2(CCC[N@H+](CCC(C)C)CC2)C1=O ZINC001272454863 808810930 /nfs/dbraw/zinc/81/09/30/808810930.db2.gz VVKOWQOPVRSGGO-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO N#Cc1sccc1Nc1cc[nH+]c2ccccc12 ZINC001174038405 808836731 /nfs/dbraw/zinc/83/67/31/808836731.db2.gz DNNWXTDUVVJBEV-UHFFFAOYSA-N 1 1 251.314 3.333 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@@]12CC(=O)N([C@H](C)CC)C2 ZINC001273486906 808847698 /nfs/dbraw/zinc/84/76/98/808847698.db2.gz RJFPVGAKCVNDRN-WBVHZDCISA-N 1 1 278.440 3.208 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)[C@H]1C[C@H]1C(C)C ZINC001273577637 808854550 /nfs/dbraw/zinc/85/45/50/808854550.db2.gz DBPVKDICJCQSPF-HOTGVXAUSA-N 1 1 280.456 3.025 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+](CC)C2)C1 ZINC001273598906 808856801 /nfs/dbraw/zinc/85/68/01/808856801.db2.gz KDRSKZBPOAYFTC-SJORKVTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1Cc2ccc(CNC(=O)C3CC3)cc2C1 ZINC001274020516 808866466 /nfs/dbraw/zinc/86/64/66/808866466.db2.gz CQPJTVHMZJIPBY-AWEZNQCLSA-N 1 1 298.430 3.383 20 30 CGEDMO C=CCN1c2ccccc2[C@@]2(CC[N@H+](C3CCCC3)C2)C1=O ZINC001274022743 808866530 /nfs/dbraw/zinc/86/65/30/808866530.db2.gz MOJIVTKODBXQAW-IBGZPJMESA-N 1 1 296.414 3.105 20 30 CGEDMO C#CCCCCC(=O)N[C@@H]1CC[N@H+](CCCCC)[C@H](C)C1 ZINC001274611890 808878215 /nfs/dbraw/zinc/87/82/15/808878215.db2.gz MQQKJNPMGUBJHF-IAGOWNOFSA-N 1 1 292.467 3.339 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)C[C@@H]1C=CCC1 ZINC001275086467 808906505 /nfs/dbraw/zinc/90/65/05/808906505.db2.gz BRKPJKUPNWSXRD-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](CC)CCC ZINC001275150529 808917138 /nfs/dbraw/zinc/91/71/38/808917138.db2.gz ITRCVKHKDIEUQJ-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)CCCCC(C)C ZINC001275151322 808917632 /nfs/dbraw/zinc/91/76/32/808917632.db2.gz ZOIOHNJOQSHWQE-KRWDZBQOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@H]([C@@H]2CC[N@H+](CC)C2)C1 ZINC001275183406 808919851 /nfs/dbraw/zinc/91/98/51/808919851.db2.gz FNKNLXIPKMIKRI-JKSUJKDBSA-N 1 1 292.467 3.169 20 30 CGEDMO CCC/C=C/CC[N@@H+](C)C[C@H](C)NC(=O)C#CC(C)(C)C ZINC001275550798 808947392 /nfs/dbraw/zinc/94/73/92/808947392.db2.gz BCYKLRHXTYHPTG-SCOAYWHSSA-N 1 1 292.467 3.219 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)c1occc1Cl ZINC001275647438 808954188 /nfs/dbraw/zinc/95/41/88/808954188.db2.gz AXGATNMMTAWISE-NWDGAFQWSA-N 1 1 298.814 3.338 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)c1cccc(C(F)F)c1 ZINC001275707395 808958372 /nfs/dbraw/zinc/95/83/72/808958372.db2.gz UIVYMJHHIBQHOU-LBPRGKRZSA-N 1 1 296.361 3.250 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)C1CCCC1 ZINC001275697641 808959265 /nfs/dbraw/zinc/95/92/65/808959265.db2.gz LPXPHXUUBDYLNE-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(CF)cc1 ZINC001275730896 808961324 /nfs/dbraw/zinc/96/13/24/808961324.db2.gz YELFRZBHMUXCCQ-CQSZACIVSA-N 1 1 292.398 3.172 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)c1cc(F)ccc1CC ZINC001275872820 808972318 /nfs/dbraw/zinc/97/23/18/808972318.db2.gz FKOYUTKUDPUOKR-ZDUSSCGKSA-N 1 1 292.398 3.014 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[N@H+](C)C[C@@H](C)CC ZINC001275897932 808974520 /nfs/dbraw/zinc/97/45/20/808974520.db2.gz XTDKGVZQJOQNLZ-UONOGXRCSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)C1CC1 ZINC001275905271 808975843 /nfs/dbraw/zinc/97/58/43/808975843.db2.gz WXSOCFQXJYLPPC-UONOGXRCSA-N 1 1 280.456 3.214 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H](C)[N@@H+](C)CCC(C)C ZINC001275919447 808976690 /nfs/dbraw/zinc/97/66/90/808976690.db2.gz CVFDBPQFDLZXJM-GDBMZVCRSA-N 1 1 268.445 3.071 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H](C)[N@H+](C)CC/C=C/CC)C1 ZINC001275928828 808977003 /nfs/dbraw/zinc/97/70/03/808977003.db2.gz STEWJEWXNMBUSJ-MVGZEHJDSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)CC1CCCCCC1 ZINC001275944154 808978846 /nfs/dbraw/zinc/97/88/46/808978846.db2.gz BJSNTCPBNGWPJK-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO CC(C)C#CC(=O)NC[C@H]1CCCCC[N@@H+]1CCC(C)C ZINC001276300176 808999296 /nfs/dbraw/zinc/99/92/96/808999296.db2.gz PPVYGPVWAFGBEJ-QGZVFWFLSA-N 1 1 292.467 3.053 20 30 CGEDMO N#Cc1ccccc1N1CC2(C1)CC[N@H+](C1CCCC1)C2 ZINC001276953731 809048555 /nfs/dbraw/zinc/04/85/55/809048555.db2.gz PANUILQGEQZPQM-UHFFFAOYSA-N 1 1 281.403 3.013 20 30 CGEDMO CCCC[C@H](CC)C[N@H+]1C[C@@H]2CCN(CCC#N)[C@@H]2C1 ZINC001277936820 809107320 /nfs/dbraw/zinc/10/73/20/809107320.db2.gz QHEPIDNYXKAQEU-YESZJQIVSA-N 1 1 277.456 3.123 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@]2(NC(=O)CC3CC3)CCC[C@H]12 ZINC001278433925 809133476 /nfs/dbraw/zinc/13/34/76/809133476.db2.gz ZZBNWMMCUIEHAR-QILLFSRXSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCCC(=O)N[C@]12CCC[C@@H]1[N@@H+](CC=C(C)C)CC2 ZINC001278439304 809134336 /nfs/dbraw/zinc/13/43/36/809134336.db2.gz IXHNZKHYWLRJSA-RDJZCZTQSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@]12CCC[C@H]1[N@@H+](CCC)CC2 ZINC001278449917 809135093 /nfs/dbraw/zinc/13/50/93/809135093.db2.gz AHLLKSGFWFWLIM-SJLPKXTDSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)/C=C(\C)CC)[C@H]1C ZINC001278510902 809138651 /nfs/dbraw/zinc/13/86/51/809138651.db2.gz PLUSQVUKMKLKBL-VSFMZDRDSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C(=C)C)[C@@H]1C ZINC001278516352 809138872 /nfs/dbraw/zinc/13/88/72/809138872.db2.gz RGABNJRPWZMNQZ-LSDHHAIUSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C2CC2)[C@H]1C ZINC001278514881 809139301 /nfs/dbraw/zinc/13/93/01/809139301.db2.gz AZGLXXWCZKOXST-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO CC#CC[N@@H+](C)CCN(C(=O)CCCC(C)C)C(C)C ZINC001278922190 809156975 /nfs/dbraw/zinc/15/69/75/809156975.db2.gz LERZEOJLASNIPU-UHFFFAOYSA-N 1 1 280.456 3.005 20 30 CGEDMO C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)/C=C(/C)CC)C2 ZINC001279222380 809167267 /nfs/dbraw/zinc/16/72/67/809167267.db2.gz QPLIGZFQEQEVFT-CPDDGZHVSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC(C)C ZINC001279541938 809173861 /nfs/dbraw/zinc/17/38/61/809173861.db2.gz LURFEKUPAXYKAO-GJZGRUSLSA-N 1 1 298.858 3.240 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC(C)C ZINC001279541938 809173864 /nfs/dbraw/zinc/17/38/64/809173864.db2.gz LURFEKUPAXYKAO-GJZGRUSLSA-N 1 1 298.858 3.240 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)[C@@]2(C)CCC[C@@H]2CC)CC1 ZINC001279583395 809176264 /nfs/dbraw/zinc/17/62/64/809176264.db2.gz YDRWLWMONCFRMB-WMZOPIPTSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)CCCN(C)C(=O)/C(C)=C\C ZINC001280803042 809200634 /nfs/dbraw/zinc/20/06/34/809200634.db2.gz QOGOCBBSOPRZIJ-CKNOQMABSA-N 1 1 266.429 3.088 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](NC(=O)CCCCC(C)C)C(C)(C)C1 ZINC001281570597 809214914 /nfs/dbraw/zinc/21/49/14/809214914.db2.gz CXXIBPCIQPEDSB-INIZCTEOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCC(C)C)C[C@H]1C ZINC001281650872 809216682 /nfs/dbraw/zinc/21/66/82/809216682.db2.gz GIHLMCGTVRETEF-ZIAGYGMSSA-N 1 1 286.847 3.144 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCC(C)C)C[C@H]1C ZINC001281650872 809216685 /nfs/dbraw/zinc/21/66/85/809216685.db2.gz GIHLMCGTVRETEF-ZIAGYGMSSA-N 1 1 286.847 3.144 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)C)C[C@@H]1C ZINC001281650740 809216973 /nfs/dbraw/zinc/21/69/73/809216973.db2.gz FXHQDPSYZNIUAL-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CC)CC1CCN(C(=O)CC)CC1 ZINC001281824628 809221306 /nfs/dbraw/zinc/22/13/06/809221306.db2.gz HQMPMMQENRBHIS-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)c1cc(C)co1 ZINC001281952813 809225187 /nfs/dbraw/zinc/22/51/87/809225187.db2.gz PJQNPRISTFQDKU-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)c1cccc(C)c1Cl ZINC001282469315 809249916 /nfs/dbraw/zinc/24/99/16/809249916.db2.gz PLFBEZSCARJTNZ-CYBMUJFWSA-N 1 1 294.826 3.275 20 30 CGEDMO C/C=C\C[C@H]1CCC[N@@H+](Cc2cc(C#N)ccn2)C1 ZINC001175055093 809255121 /nfs/dbraw/zinc/25/51/21/809255121.db2.gz UMCPLYPNAMJYAD-SFAKSCPVSA-N 1 1 255.365 3.131 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](CCC)C(C)C)C(C)(C)C1 ZINC001282823655 809264945 /nfs/dbraw/zinc/26/49/45/809264945.db2.gz WUQWXBDFHHUBBR-HZPDHXFCSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CC1(CC(=O)N[C@@H]2C[N@H+](CC)CC2(C)C)CCCCC1 ZINC001282833692 809264965 /nfs/dbraw/zinc/26/49/65/809264965.db2.gz QNDNKHDFPATXEG-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@H]1C[N@@H+](CC2CCC2)CC1(C)C ZINC001282824873 809265694 /nfs/dbraw/zinc/26/56/94/809265694.db2.gz VWDMNUFTHCXUPY-HOCLYGCPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)[C@H](F)CC)C2)C1 ZINC001282967060 809268400 /nfs/dbraw/zinc/26/84/00/809268400.db2.gz IHCSPCAUBGRKLW-LSDHHAIUSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)CC(C)(C)C)CC1 ZINC001283292964 809275410 /nfs/dbraw/zinc/27/54/10/809275410.db2.gz XXSXSFNYBDRSBY-UHFFFAOYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)C(C)(C)C=C)CC1 ZINC001283318676 809275649 /nfs/dbraw/zinc/27/56/49/809275649.db2.gz CYGPIWZSSPWIKG-HNNXBMFYSA-N 1 1 292.467 3.476 20 30 CGEDMO CC[C@@H](C)C[N@@H+](C)C1CCN(C(=O)C#CC(C)(C)C)CC1 ZINC001283306828 809275934 /nfs/dbraw/zinc/27/59/34/809275934.db2.gz HKKQCILITRTLFD-OAHLLOKOSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)[C@H]2CC[C@@H](C)C2)CC1 ZINC001283332191 809277144 /nfs/dbraw/zinc/27/71/44/809277144.db2.gz SARMJRODIZKATR-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)CCC(C)C)CCC[C@H]12 ZINC001284033559 809293415 /nfs/dbraw/zinc/29/34/15/809293415.db2.gz XRVOWNBMNIOLCG-HOCLYGCPSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)CCC(C)C)CCC[C@H]12 ZINC001284033559 809293419 /nfs/dbraw/zinc/29/34/19/809293419.db2.gz XRVOWNBMNIOLCG-HOCLYGCPSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H](C)CCC)CCC[C@H]12 ZINC001284044150 809293837 /nfs/dbraw/zinc/29/38/37/809293837.db2.gz IQZNJXGUZNXONY-YQQAZPJKSA-N 1 1 278.440 3.112 20 30 CGEDMO CC(C)C#CC(=O)N[C@@H]1CCC[N@H+](CCCC(C)C)[C@H]1C ZINC001284121675 809296202 /nfs/dbraw/zinc/29/62/02/809296202.db2.gz LAOHDLYYDHSKRP-DLBZAZTESA-N 1 1 292.467 3.051 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@@](C)(F)CCCC)CC1 ZINC001284927971 809320542 /nfs/dbraw/zinc/32/05/42/809320542.db2.gz AKQNLCFPRJPZMC-KRWDZBQOSA-N 1 1 296.430 3.229 20 30 CGEDMO C=CCC1(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CCCC1 ZINC001297803830 809523037 /nfs/dbraw/zinc/52/30/37/809523037.db2.gz LGZFYBUSAUQWRY-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCCCCCCC(=O)N(CC)[C@H]1CC[N@@H+](C)C1 ZINC001300704110 809573090 /nfs/dbraw/zinc/57/30/90/809573090.db2.gz AXTFVNCYAGQOTQ-HNNXBMFYSA-N 1 1 268.445 3.290 20 30 CGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H](C3CCCC3)C2)cc1 ZINC001176932725 809769916 /nfs/dbraw/zinc/76/99/16/809769916.db2.gz PXYZARQTENPNSS-RTBURBONSA-N 1 1 298.430 3.494 20 30 CGEDMO CCc1cc(NC(=O)[C@@H]2CCCC[N@@H+]2C)cc(CC)c1C#N ZINC001178697402 809883004 /nfs/dbraw/zinc/88/30/04/809883004.db2.gz WPADFPUBYQVDSP-KRWDZBQOSA-N 1 1 299.418 3.106 20 30 CGEDMO CCc1cc(NC(=O)[C@@H]2CCCC[N@H+]2C)cc(CC)c1C#N ZINC001178697402 809883009 /nfs/dbraw/zinc/88/30/09/809883009.db2.gz WPADFPUBYQVDSP-KRWDZBQOSA-N 1 1 299.418 3.106 20 30 CGEDMO C[C@@H](C(=O)Nc1sc2ccccc2c1C#N)[NH+]1CCCC1 ZINC001180578031 810010963 /nfs/dbraw/zinc/01/09/63/810010963.db2.gz WTGUQQLERSEUBQ-NSHDSACASA-N 1 1 299.399 3.196 20 30 CGEDMO CCCCCCC[C@@H](C)C(=O)NC1C[NH+](C(C)C)C1 ZINC001181133699 810039747 /nfs/dbraw/zinc/03/97/47/810039747.db2.gz XXWVEQRTKNDTJS-CQSZACIVSA-N 1 1 268.445 3.192 20 30 CGEDMO C=CCC[C@H]([NH2+][C@@H]1CC(C)(C)C[C@H]1C)C(=O)OCC ZINC001181826909 810074913 /nfs/dbraw/zinc/07/49/13/810074913.db2.gz HZFXOHDKZTWOFP-HZSPNIEDSA-N 1 1 267.413 3.299 20 30 CGEDMO C#CC[N@@H+](Cc1cnn(-c2ccccc2C)c1)C(C)C ZINC001184115955 810178033 /nfs/dbraw/zinc/17/80/33/810178033.db2.gz QPEHNCDPXIXOAJ-UHFFFAOYSA-N 1 1 267.376 3.024 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(C)c3)[C@@H]2C1 ZINC001186716290 810358072 /nfs/dbraw/zinc/35/80/72/810358072.db2.gz TYWXGCMPERTXGY-ZWKOTPCHSA-N 1 1 298.430 3.108 20 30 CGEDMO C=CCCCN(CC)c1[nH+]cnc2[nH]cc(CC)c21 ZINC001187816721 810426537 /nfs/dbraw/zinc/42/65/37/810426537.db2.gz WNUSMQMISSIZDU-UHFFFAOYSA-N 1 1 258.369 3.313 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)C2CCC2)C1 ZINC001188579396 810489280 /nfs/dbraw/zinc/48/92/80/810489280.db2.gz FRKDTVXEVNIGQC-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)CC2CC2)C1 ZINC001188611188 810492773 /nfs/dbraw/zinc/49/27/73/810492773.db2.gz UDDDCEGUSIPLOL-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)c2ccccc2C)C1 ZINC001188693458 810503879 /nfs/dbraw/zinc/50/38/79/810503879.db2.gz NXTYKBXAYDZPER-INIZCTEOSA-N 1 1 286.419 3.108 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]2C[N@H+](CC/C=C/CC)C[C@H]21 ZINC001189007145 810534438 /nfs/dbraw/zinc/53/44/38/810534438.db2.gz OVMOKCAROOQSMB-FKQXODTLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)CC2=CCCCC2)C1 ZINC001189353918 810563264 /nfs/dbraw/zinc/56/32/64/810563264.db2.gz KZCFUMLPDSULNE-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C=C(CC)CC)C1 ZINC001189664621 810583847 /nfs/dbraw/zinc/58/38/47/810583847.db2.gz QCNILOASYQKKMY-INIZCTEOSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C2=CCCCCC2)C1 ZINC001189817010 810590574 /nfs/dbraw/zinc/59/05/74/810590574.db2.gz CTLJINHBAUWZTG-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C2=CCCCCC2)C1 ZINC001189817009 810590767 /nfs/dbraw/zinc/59/07/67/810590767.db2.gz CTLJINHBAUWZTG-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C#CCCCC(=O)N1CC[C@@H]([N@H+](C)C[C@@H](C)CC(C)C)C1 ZINC001189909452 810593773 /nfs/dbraw/zinc/59/37/73/810593773.db2.gz CXQBHWLYWUMNDE-DLBZAZTESA-N 1 1 292.467 3.005 20 30 CGEDMO C#CCCCC(=O)N1CC[C@H]([N@H+](C)CC/C=C\CCC)C1 ZINC001189910440 810594899 /nfs/dbraw/zinc/59/48/99/810594899.db2.gz PFZMPGGIPLBYAF-JJEJIETFSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)CCCCC)[C@@H]2C1 ZINC001190282805 810617294 /nfs/dbraw/zinc/61/72/94/810617294.db2.gz XBAAEGPXVGNAJD-YESZJQIVSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC001190428344 810626654 /nfs/dbraw/zinc/62/66/54/810626654.db2.gz HRAHYCIYFIUISS-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@@H]([N@@H+](C)CCC2CCCC2)C1 ZINC001190436621 810628760 /nfs/dbraw/zinc/62/87/60/810628760.db2.gz YKTJHNBJRVASKG-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC=CCCC2)C1 ZINC001190879091 810655249 /nfs/dbraw/zinc/65/52/49/810655249.db2.gz OEOIADZUDGQVIF-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+](CC1CCCCC1)[C@H](CC)C(=O)OCC ZINC001190983633 810661269 /nfs/dbraw/zinc/66/12/69/810661269.db2.gz DNFFHROGPQDERS-OAHLLOKOSA-N 1 1 267.413 3.396 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@](C)(F)CCCC)C1 ZINC001191038741 810665508 /nfs/dbraw/zinc/66/55/08/810665508.db2.gz BQTNPWAPBMZGMS-GDBMZVCRSA-N 1 1 284.419 3.014 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@](C)(F)CCCC)C1 ZINC001191040369 810666010 /nfs/dbraw/zinc/66/60/10/810666010.db2.gz IQYOKWXIQXUMJS-ZBFHGGJFSA-N 1 1 284.419 3.014 20 30 CGEDMO CCCCCCCNC(=O)NCc1[nH+]cn2ccccc12 ZINC001191123848 810679210 /nfs/dbraw/zinc/67/92/10/810679210.db2.gz WEQGJDWPLXSCHV-UHFFFAOYSA-N 1 1 288.395 3.104 20 30 CGEDMO C#CCCCCCC(=O)N1CC[C@H]([N@H+](C)C[C@H](C)CC)C1 ZINC001191754061 810737185 /nfs/dbraw/zinc/73/71/85/810737185.db2.gz KIXZFRSCNQNDPG-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC[C@@H]([N@@H+](C)CCC(C)C)C1 ZINC001191889125 810754987 /nfs/dbraw/zinc/75/49/87/810754987.db2.gz BEHJVJULESJDOR-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[C@H]([N@@H+](C)CC=C(C)C)C1 ZINC001191889505 810755002 /nfs/dbraw/zinc/75/50/02/810755002.db2.gz HBBJQPDAASKZNC-CVEARBPZSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C2(C)CC=CC2)C1 ZINC001192153825 810771299 /nfs/dbraw/zinc/77/12/99/810771299.db2.gz WCLGCIZUOZFJJG-JKSUJKDBSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@](C)(C=C)CC)C1 ZINC001192163319 810773053 /nfs/dbraw/zinc/77/30/53/810773053.db2.gz VEXDMKIYWDYOMU-WBVHZDCISA-N 1 1 278.440 3.088 20 30 CGEDMO C=C1CCC(C(=O)N2CC[C@H]([N@H+](C)CCCC)C2)CC1 ZINC001192181616 810773932 /nfs/dbraw/zinc/77/39/32/810773932.db2.gz WVQBZISMKPMRAN-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)C2(CC)CC2)C1 ZINC001192189868 810774090 /nfs/dbraw/zinc/77/40/90/810774090.db2.gz JSFRHZVZCVWSJH-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC1(C(=O)N2CC[C@H]([N@H+](C)C[C@@H](F)CC)C2)CC1 ZINC001192204981 810775784 /nfs/dbraw/zinc/77/57/84/810775784.db2.gz BBPJLSHTLIPRJA-GJZGRUSLSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCCC1(C(=O)N2CC[C@@H]([N@H+](C)CC[C@@H](C)F)C2)CC1 ZINC001192205032 810776049 /nfs/dbraw/zinc/77/60/49/810776049.db2.gz BQTLJUWIWCKLAT-HUUCEWRRSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCCC1(C(=O)N2CC[C@H]([N@@H+](C)C/C=C\Cl)C2)CC1 ZINC001192217206 810776904 /nfs/dbraw/zinc/77/69/04/810776904.db2.gz DETQWUYBUNTSRH-MFNCVGGLSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001192237361 810780392 /nfs/dbraw/zinc/78/03/92/810780392.db2.gz GSRZQXWWWLXVHW-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CC[N@@H+](CC1CC1)C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC001192305628 810786812 /nfs/dbraw/zinc/78/68/12/810786812.db2.gz YNTVHFKGNCPDLR-MSOLQXFVSA-N 1 1 269.388 3.252 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)CC2CCCC2)C1 ZINC001192578279 810807219 /nfs/dbraw/zinc/80/72/19/810807219.db2.gz OFFWQOTVVHUPBJ-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@@H]([N@H+](C)CC/C=C\CC)C1 ZINC001192586377 810808588 /nfs/dbraw/zinc/80/85/88/810808588.db2.gz NPPPMFUTOAPCQQ-HLRDLLSLSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)CC[C@@H](C)CC)C1 ZINC001193017615 810841757 /nfs/dbraw/zinc/84/17/57/810841757.db2.gz NVMYJIUOEKQLEU-JSGCOSHPSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)CC[C@@H](C)CC)C1 ZINC001193017615 810841763 /nfs/dbraw/zinc/84/17/63/810841763.db2.gz NVMYJIUOEKQLEU-JSGCOSHPSA-N 1 1 286.847 3.098 20 30 CGEDMO C=CC[C@@H]([NH2+][C@@H](CCCC)C1CCC1)C(=O)OC ZINC001193240552 810866455 /nfs/dbraw/zinc/86/64/55/810866455.db2.gz URSFNADGTJKXLH-UONOGXRCSA-N 1 1 253.386 3.053 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)CC(C)C)C1 ZINC001193350585 810876264 /nfs/dbraw/zinc/87/62/64/810876264.db2.gz RPSXMFNCTDXTGY-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)C2CCCC2)C1 ZINC001193372626 810880516 /nfs/dbraw/zinc/88/05/16/810880516.db2.gz DVPBWQZEZIJFLU-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)C2CCCC2)C1 ZINC001193372504 810880655 /nfs/dbraw/zinc/88/06/55/810880655.db2.gz CUYZFWDJVOWHAL-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](F)CCCCCC)C1 ZINC001193479440 810894530 /nfs/dbraw/zinc/89/45/30/810894530.db2.gz VOFDDAWRDWWLPS-HZPDHXFCSA-N 1 1 298.446 3.404 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)C)C1 ZINC001193610765 810920588 /nfs/dbraw/zinc/92/05/88/810920588.db2.gz QLHABCVFBSDNRO-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(Cl)cc2)C1 ZINC001193631163 810923278 /nfs/dbraw/zinc/92/32/78/810923278.db2.gz UEGQDSNKAWCXPA-OAHLLOKOSA-N 1 1 292.810 3.062 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)CCCCCC)C1 ZINC001193826127 810962623 /nfs/dbraw/zinc/96/26/23/810962623.db2.gz XKAOCGCTLKGKLK-AWEZNQCLSA-N 1 1 286.847 3.242 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)CCCCCC)C1 ZINC001193826127 810962628 /nfs/dbraw/zinc/96/26/28/810962628.db2.gz XKAOCGCTLKGKLK-AWEZNQCLSA-N 1 1 286.847 3.242 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](C=C)c2ccccc2)C1 ZINC001194199669 811034549 /nfs/dbraw/zinc/03/45/49/811034549.db2.gz FBKKBLPXZGVKCK-FUHWJXTLSA-N 1 1 298.430 3.065 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)C[C@H](C=C)c2ccccc2)C1 ZINC001194199671 811034812 /nfs/dbraw/zinc/03/48/12/811034812.db2.gz FBKKBLPXZGVKCK-WMZOPIPTSA-N 1 1 298.430 3.065 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001194358591 811058840 /nfs/dbraw/zinc/05/88/40/811058840.db2.gz JZJZKPXRUAUSMJ-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)C2(C)CCC(C)CC2)C1 ZINC001194359376 811058982 /nfs/dbraw/zinc/05/89/82/811058982.db2.gz OYBJPQOGCGJGKT-PQUAAJSLSA-N 1 1 292.467 3.312 20 30 CGEDMO CCCCCCCCOC(=O)N1CCC[N@@H+](C)CC1 ZINC001194730483 811118065 /nfs/dbraw/zinc/11/80/65/811118065.db2.gz ODTYSCMWGWFFGB-UHFFFAOYSA-N 1 1 270.417 3.121 20 30 CGEDMO CCCCCCCCOC(=O)N(C)[C@H]1CC[N@@H+](C)C1 ZINC001194740393 811121267 /nfs/dbraw/zinc/12/12/67/811121267.db2.gz JTLPIVSAZPOURJ-AWEZNQCLSA-N 1 1 270.417 3.119 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)CCC2CCC2)CC1 ZINC001195433886 811254941 /nfs/dbraw/zinc/25/49/41/811254941.db2.gz BMMDRHTUGAJLOE-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CCCCC3)C1 ZINC001196038553 811312812 /nfs/dbraw/zinc/31/28/12/811312812.db2.gz BWPLFHUACZSXOJ-HOTGVXAUSA-N 1 1 276.424 3.351 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CCCCC3)C1 ZINC001196038555 811312883 /nfs/dbraw/zinc/31/28/83/811312883.db2.gz BWPLFHUACZSXOJ-JKSUJKDBSA-N 1 1 276.424 3.351 20 30 CGEDMO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)OCCC ZINC001196058344 811314369 /nfs/dbraw/zinc/31/43/69/811314369.db2.gz ZSIJRZKQKFHGFB-MJBXVCDLSA-N 1 1 253.386 3.053 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)[C@@](C)(F)CCCC)CC1 ZINC001196357497 811335617 /nfs/dbraw/zinc/33/56/17/811335617.db2.gz GBLJUMWCFFQBAG-INIZCTEOSA-N 1 1 284.419 3.015 20 30 CGEDMO C/C=C/C[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC001196615542 811355281 /nfs/dbraw/zinc/35/52/81/811355281.db2.gz XECDJDAJFQTZLJ-LDRXLRCLSA-N 1 1 284.403 3.270 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)C[C@@H]2CC[C@H](C)C2)CC1 ZINC001196789926 811367615 /nfs/dbraw/zinc/36/76/15/811367615.db2.gz DPDHEBBFTYFNAW-DLBZAZTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C/C=C(/C)C=C)CC1 ZINC001196822865 811370552 /nfs/dbraw/zinc/37/05/52/811370552.db2.gz DPHRQKOPFNHMAM-LPPOOGIUSA-N 1 1 290.451 3.398 20 30 CGEDMO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@H+](CCCC(C)C)CC1 ZINC001196853137 811376562 /nfs/dbraw/zinc/37/65/62/811376562.db2.gz HLWMDABZIAWRHO-SJORKVTESA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)C(C)(C)CCC)CC1 ZINC001197014822 811390907 /nfs/dbraw/zinc/39/09/07/811390907.db2.gz UKMCAJLOGSQUNT-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)C(C)(C)CCC)CC1 ZINC001197007346 811391876 /nfs/dbraw/zinc/39/18/76/811391876.db2.gz OVYFQOJLQSLSGN-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C2CC3(CC3)C2)CC1 ZINC001197125938 811401127 /nfs/dbraw/zinc/40/11/27/811401127.db2.gz QNRGUJDSONRREC-HNNXBMFYSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[N@H+]1CCCN(C(=O)c2ccc(C=C)cc2)CC1 ZINC001197236489 811406609 /nfs/dbraw/zinc/40/66/09/811406609.db2.gz KTIYSUALFPTXDE-UHFFFAOYSA-N 1 1 298.430 3.444 20 30 CGEDMO C=CC[C@H](C)[N@@H+]1CCc2c3cc(OC)ccc3[nH]c2C1 ZINC001197344351 811418140 /nfs/dbraw/zinc/41/81/40/811418140.db2.gz XGTJFNGWSMRPPF-LBPRGKRZSA-N 1 1 270.376 3.499 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCc2c3cc(OC)ccc3[nH]c2C1 ZINC001197344351 811418143 /nfs/dbraw/zinc/41/81/43/811418143.db2.gz XGTJFNGWSMRPPF-LBPRGKRZSA-N 1 1 270.376 3.499 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)CCCCCC)CC1 ZINC001198022105 811473412 /nfs/dbraw/zinc/47/34/12/811473412.db2.gz SYNFCWAZNXODBN-UHFFFAOYSA-N 1 1 266.429 3.067 20 30 CGEDMO C=CCC1(C(=O)N2CCC[N@H+](CCCC)CC2)CCCC1 ZINC001198423895 811501305 /nfs/dbraw/zinc/50/13/05/811501305.db2.gz WRLLHSOZSNLNJG-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@H]2CSC[C@@]2(C)C1 ZINC001198467630 811507366 /nfs/dbraw/zinc/50/73/66/811507366.db2.gz NDUKDYMEEUUTRK-UHOFOFEASA-N 1 1 272.417 3.304 20 30 CGEDMO COc1ccc(Nc2cccc3[nH+]cn(C)c32)cc1C#N ZINC001215004348 815475235 /nfs/dbraw/zinc/47/52/35/815475235.db2.gz COPBGANZMRQSER-UHFFFAOYSA-N 1 1 278.315 3.197 20 30 CGEDMO CCCCCCC[N@@H+]1Cc2ncn(C)c2[C@@H](COCC)C1 ZINC001201762331 811962725 /nfs/dbraw/zinc/96/27/25/811962725.db2.gz GNZQLOYOBQNYMO-OAHLLOKOSA-N 1 1 293.455 3.326 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001201761897 811963432 /nfs/dbraw/zinc/96/34/32/811963432.db2.gz UYDKBRGVTWKUNL-NEPJUHHUSA-N 1 1 267.335 3.059 20 30 CGEDMO CCCCCCCC[N@@H+](CCC(=O)OC)C1CC1 ZINC001201839463 811969247 /nfs/dbraw/zinc/96/92/47/811969247.db2.gz DZECFRZSUSRFIO-UHFFFAOYSA-N 1 1 255.402 3.374 20 30 CGEDMO CCCCCCCC[N@H+]1CCC[C@H]1CC(=O)OC ZINC001201840305 811969362 /nfs/dbraw/zinc/96/93/62/811969362.db2.gz SQMIWTUYUTYOJT-AWEZNQCLSA-N 1 1 255.402 3.374 20 30 CGEDMO CCCCCCCCC[N@@H+](C)CCN1CCOCC1 ZINC001201839589 811969824 /nfs/dbraw/zinc/96/98/24/811969824.db2.gz NKYRDOWIKFEXSC-UHFFFAOYSA-N 1 1 270.461 3.001 20 30 CGEDMO CCCCCCCCC[N@@H+]1CCOC[C@H]1CCC(=O)OC ZINC001201852943 811972542 /nfs/dbraw/zinc/97/25/42/811972542.db2.gz TUYNHAOPOKAQAI-MRXNPFEDSA-N 1 1 299.455 3.391 20 30 CGEDMO CCCCCCCCC[N@H+]1CCOC[C@H]1CCC(=O)OC ZINC001201852943 811972549 /nfs/dbraw/zinc/97/25/49/811972549.db2.gz TUYNHAOPOKAQAI-MRXNPFEDSA-N 1 1 299.455 3.391 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@H](OCC(=O)OC)C1 ZINC001201852840 811972941 /nfs/dbraw/zinc/97/29/41/811972941.db2.gz OGUJXKXAWKNPFQ-HNNXBMFYSA-N 1 1 285.428 3.001 20 30 CGEDMO CCCCCCCCCC[N@H+]1CCC[C@H]1C(N)=O ZINC001201852823 811973169 /nfs/dbraw/zinc/97/31/69/811973169.db2.gz NFXNBYVLNAMFGZ-AWEZNQCLSA-N 1 1 254.418 3.077 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)c(C)c1C ZINC001203724204 812442430 /nfs/dbraw/zinc/44/24/30/812442430.db2.gz CMWYITZFTIHFPS-OAHLLOKOSA-N 1 1 272.392 3.438 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]2COCc2ccccc2)cc1 ZINC001203903243 812488353 /nfs/dbraw/zinc/48/83/53/812488353.db2.gz BEWTYMXMEMZEPL-LJQANCHMSA-N 1 1 292.382 3.349 20 30 CGEDMO COc1ccc(C[N@@H+]2CC[C@H](C#N)C2)c2ccccc12 ZINC001203996645 812512642 /nfs/dbraw/zinc/51/26/42/812512642.db2.gz WDCVDTOJCLADSJ-CYBMUJFWSA-N 1 1 266.344 3.194 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@H](C#N)C2)c2ccccc12 ZINC001203996645 812512650 /nfs/dbraw/zinc/51/26/50/812512650.db2.gz WDCVDTOJCLADSJ-CYBMUJFWSA-N 1 1 266.344 3.194 20 30 CGEDMO C#CC[NH+](CC#C)Cc1ccc(-c2ccccc2)cc1 ZINC001204138624 812554428 /nfs/dbraw/zinc/55/44/28/812554428.db2.gz LQJSEGGMYQHLIB-UHFFFAOYSA-N 1 1 259.352 3.422 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@@](C)(O)CC2)cc1 ZINC001204298311 812605005 /nfs/dbraw/zinc/60/50/05/812605005.db2.gz ZTACCBKIUDFHHT-YJBOKZPZSA-N 1 1 289.419 3.234 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(OCCC)cc2)C1 ZINC001204306907 812608534 /nfs/dbraw/zinc/60/85/34/812608534.db2.gz CAAIBYZSESIQHK-OAHLLOKOSA-N 1 1 257.377 3.321 20 30 CGEDMO COc1ccc(CC[N@@H+](C)Cc2ccccc2C#N)cc1 ZINC001204372183 812622828 /nfs/dbraw/zinc/62/28/28/812622828.db2.gz ZJSJVPZPWQLAEV-UHFFFAOYSA-N 1 1 280.371 3.241 20 30 CGEDMO C[N@H+]1CCN(Cc2ccccc2C#N)C[C@H]1c1ccccc1 ZINC001204370288 812623339 /nfs/dbraw/zinc/62/33/39/812623339.db2.gz XDCAJULDPVSSDD-IBGZPJMESA-N 1 1 291.398 3.047 20 30 CGEDMO C[C@H](CC#N)[N@@H+](C)CCCc1ccc(F)c(F)c1 ZINC001204497443 812657948 /nfs/dbraw/zinc/65/79/48/812657948.db2.gz OYPVIGRQRXSZMQ-LLVKDONJSA-N 1 1 252.308 3.131 20 30 CGEDMO Cc1cc(C[N@H+](C)Cc2cccc(C#N)c2)oc1C ZINC001204539944 812673981 /nfs/dbraw/zinc/67/39/81/812673981.db2.gz UDVWCRIKHSXOAD-UHFFFAOYSA-N 1 1 254.333 3.400 20 30 CGEDMO Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)ccc1F ZINC001205192699 812904045 /nfs/dbraw/zinc/90/40/45/812904045.db2.gz CTNKTFZIHDOBAO-QKDCVEJESA-N 1 1 258.340 3.401 20 30 CGEDMO N#CCCCO[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001205647524 813040066 /nfs/dbraw/zinc/04/00/66/813040066.db2.gz DXZOJFVVKCHPTN-OKZBNKHCSA-N 1 1 284.403 3.217 20 30 CGEDMO N#CCCCO[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001205647525 813040219 /nfs/dbraw/zinc/04/02/19/813040219.db2.gz DXZOJFVVKCHPTN-RCCFBDPRSA-N 1 1 284.403 3.217 20 30 CGEDMO C=CCC[C@H]([NH2+][C@H]1CCCC[C@H]1C)C(=O)OCC ZINC001205848847 813107151 /nfs/dbraw/zinc/10/71/51/813107151.db2.gz HUTGPYSNSRVCID-RDBSUJKOSA-N 1 1 253.386 3.053 20 30 CGEDMO C=CCCCCCC[N@@H+]1CC[C@@](N)(C(F)(F)F)C1 ZINC001206221723 813247207 /nfs/dbraw/zinc/24/72/07/813247207.db2.gz INNJUWMXYMSDLX-LBPRGKRZSA-N 1 1 264.335 3.088 20 30 CGEDMO CCCCCCCC[N@H+]1CCCC[C@](F)(CN)C1 ZINC001206337292 813294742 /nfs/dbraw/zinc/29/47/42/813294742.db2.gz SBKTZWHAVSIFIU-HNNXBMFYSA-N 1 1 258.425 3.500 20 30 CGEDMO CCCCCCCCN1CCCC[C@](F)(C[NH3+])C1 ZINC001206337292 813294746 /nfs/dbraw/zinc/29/47/46/813294746.db2.gz SBKTZWHAVSIFIU-HNNXBMFYSA-N 1 1 258.425 3.500 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc3c(cccc3O)s2)C1 ZINC001206464820 813328262 /nfs/dbraw/zinc/32/82/62/813328262.db2.gz WYTGOQXQEWKCDI-LBPRGKRZSA-N 1 1 271.385 3.452 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1Nc1sccc1C#N ZINC001206714778 813405739 /nfs/dbraw/zinc/40/57/39/813405739.db2.gz QJKROKWZMGEOBA-UHFFFAOYSA-N 1 1 258.350 3.133 20 30 CGEDMO C=C(C)CO[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001206750553 813420164 /nfs/dbraw/zinc/42/01/64/813420164.db2.gz KCHFCAZXFXNTIE-OKZBNKHCSA-N 1 1 271.404 3.490 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)/C=C(/C)CC)C1 ZINC001206936054 813458728 /nfs/dbraw/zinc/45/87/28/813458728.db2.gz IOUZITLAJNXYFC-FBJBHJOSSA-N 1 1 278.440 3.134 20 30 CGEDMO CC[C@H](c1ccccc1)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC001207109656 813487225 /nfs/dbraw/zinc/48/72/25/813487225.db2.gz QPIGWNKXHHRQQL-QGZVFWFLSA-N 1 1 267.376 3.480 20 30 CGEDMO C=C(C)C[C@H]([NH2+][C@@H](CC)Cc1ccc(C)cc1)C(=O)OC ZINC001207129455 813493361 /nfs/dbraw/zinc/49/33/61/813493361.db2.gz NVVJZWVDNHZYHY-IRXDYDNUSA-N 1 1 289.419 3.414 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](CCCC(C)C)C[C@H]1C ZINC001207215240 813516541 /nfs/dbraw/zinc/51/65/41/813516541.db2.gz DUSPRRKJGJPPKX-HZPDHXFCSA-N 1 1 280.456 3.215 20 30 CGEDMO COc1ccc(CCC[N@H+]2CCC[C@@H](C#N)CC2)cc1 ZINC001207582625 813598796 /nfs/dbraw/zinc/59/87/96/813598796.db2.gz NLAJKDLKYDPXSN-MRXNPFEDSA-N 1 1 272.392 3.253 20 30 CGEDMO CS[C@H](C)CC[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001208137679 813704360 /nfs/dbraw/zinc/70/43/60/813704360.db2.gz GMYSRRIMJLTAGA-GFCCVEGCSA-N 1 1 260.406 3.058 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@@H](C)[C@@H]2CO)CC1 ZINC001208171746 813725965 /nfs/dbraw/zinc/72/59/65/813725965.db2.gz YRNQBXJIATXRFV-OIISXLGYSA-N 1 1 263.425 3.382 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@H](N3CCCC3)C2)CC1 ZINC001208177322 813729141 /nfs/dbraw/zinc/72/91/41/813729141.db2.gz QMVPNVNFNVDNDH-QZTJIDSGSA-N 1 1 274.452 3.459 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@H](N3CCCC3)C2)CC1 ZINC001208177322 813729147 /nfs/dbraw/zinc/72/91/47/813729147.db2.gz QMVPNVNFNVDNDH-QZTJIDSGSA-N 1 1 274.452 3.459 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC=CCC2)C1 ZINC001208307039 813754419 /nfs/dbraw/zinc/75/44/19/813754419.db2.gz VJQUXPYLCFBCFH-IXDOHACOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C2CC2)C1 ZINC001208382998 813758878 /nfs/dbraw/zinc/75/88/78/813758878.db2.gz YCHHQLQKWMJQEL-IIAWOOMASA-N 1 1 292.467 3.214 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](C[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC001208591933 813770007 /nfs/dbraw/zinc/77/00/07/813770007.db2.gz PTQKFWGJEOPRLA-QUCCMNQESA-N 1 1 296.458 3.386 20 30 CGEDMO C#C[C@@H]1CCCN(C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC001208591933 813770010 /nfs/dbraw/zinc/77/00/10/813770010.db2.gz PTQKFWGJEOPRLA-QUCCMNQESA-N 1 1 296.458 3.386 20 30 CGEDMO C#C[C@@H]1CCCN(C[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC001208591933 813770016 /nfs/dbraw/zinc/77/00/16/813770016.db2.gz PTQKFWGJEOPRLA-QUCCMNQESA-N 1 1 296.458 3.386 20 30 CGEDMO C#CC[N@@H+](C)CCCc1ccc(Cl)c(Cl)c1 ZINC001208837847 813862321 /nfs/dbraw/zinc/86/23/21/813862321.db2.gz RJTNYPBKWWAOFW-UHFFFAOYSA-N 1 1 256.176 3.491 20 30 CGEDMO C[C@]1(F)CCC[N@@H+](CCCc2cccc(C#N)c2)C1 ZINC001208844463 813865058 /nfs/dbraw/zinc/86/50/58/813865058.db2.gz IGIVYJHXNMUXDU-INIZCTEOSA-N 1 1 260.356 3.315 20 30 CGEDMO C[N@@H+](CCCc1cccc(C#N)c1)CC1CC(F)(F)C1 ZINC001208853104 813865901 /nfs/dbraw/zinc/86/59/01/813865901.db2.gz CXFVSFMJKHCNLG-UHFFFAOYSA-N 1 1 278.346 3.468 20 30 CGEDMO C[C@H]1c2cccn2CC[N@@H+]1CCCc1ccc(C#N)cc1 ZINC001208863105 813871501 /nfs/dbraw/zinc/87/15/01/813871501.db2.gz WZFWNWIBAXKHFL-HNNXBMFYSA-N 1 1 279.387 3.369 20 30 CGEDMO N#Cc1cccc(O[C@H]2CCC[N@@H+](C[C@@H]3CCC=CO3)C2)c1 ZINC001208881477 813880307 /nfs/dbraw/zinc/88/03/07/813880307.db2.gz XDSJJFWHSSPDFH-ROUUACIJSA-N 1 1 298.386 3.094 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](C)N(C(=O)OC(C)(C)C)CC1 ZINC001209157357 813949463 /nfs/dbraw/zinc/94/94/63/813949463.db2.gz UVZUWOFWGYPZES-CQSZACIVSA-N 1 1 282.428 3.284 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001209157516 813949504 /nfs/dbraw/zinc/94/95/04/813949504.db2.gz FHMSODNGLGQCQH-CABCVRRESA-N 1 1 294.439 3.141 20 30 CGEDMO C=CCCC[N@H+]1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001209160369 813951806 /nfs/dbraw/zinc/95/18/06/813951806.db2.gz UHLGZDDGPCKRLM-MSOLQXFVSA-N 1 1 270.420 3.159 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](c2nc(C(C)C)no2)C1 ZINC001209161858 813953381 /nfs/dbraw/zinc/95/33/81/813953381.db2.gz FWOHVBRUAOYIKL-CYBMUJFWSA-N 1 1 263.385 3.339 20 30 CGEDMO C=CCCCC[N@H+]1CC[C@@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001209201474 813964545 /nfs/dbraw/zinc/96/45/45/813964545.db2.gz MWUOMZXRIHBIAU-VXGBXAGGSA-N 1 1 283.309 3.070 20 30 CGEDMO C=CCCCC[N@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001209202577 813966663 /nfs/dbraw/zinc/96/66/63/813966663.db2.gz FTHINOYMGBWFHE-RTBURBONSA-N 1 1 299.462 3.192 20 30 CGEDMO C=CCCCC[N@H+]1CC[C@H]1N(C)C(=O)OC(C)(C)C ZINC001209207312 813968968 /nfs/dbraw/zinc/96/89/68/813968968.db2.gz SBJXPECCZNUUKF-ZDUSSCGKSA-N 1 1 268.401 3.241 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@H]1N(C)C(=O)OC(C)(C)C ZINC001209207312 813968971 /nfs/dbraw/zinc/96/89/71/813968971.db2.gz SBJXPECCZNUUKF-ZDUSSCGKSA-N 1 1 268.401 3.241 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)[C@@H]1C ZINC001209261524 813987878 /nfs/dbraw/zinc/98/78/78/813987878.db2.gz CEAKNRLXDOGQPP-GJZGRUSLSA-N 1 1 294.439 3.025 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@H]1c1cccc(C(=O)OC)c1 ZINC001209267841 813988933 /nfs/dbraw/zinc/98/89/33/813988933.db2.gz MWXVTNXXNHCWRS-INIZCTEOSA-N 1 1 271.360 3.024 20 30 CGEDMO C#CCCC[N@@H+]1CCCC[C@@H]1c1ccc(C(=O)OC)cc1 ZINC001209269658 813989660 /nfs/dbraw/zinc/98/96/60/813989660.db2.gz YSVRBDOVQJWKMA-QGZVFWFLSA-N 1 1 285.387 3.414 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCC[C@@H]1C(=O)NCCC ZINC001209427523 814027964 /nfs/dbraw/zinc/02/79/64/814027964.db2.gz RRLHKBOWLNNNEV-OAHLLOKOSA-N 1 1 266.429 3.114 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@H](COCC2CC2)C1 ZINC001209428355 814028256 /nfs/dbraw/zinc/02/82/56/814028256.db2.gz FIBHGZNWPFBXFC-MRXNPFEDSA-N 1 1 251.414 3.481 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCC[C@@H](C(=O)OCC)C1 ZINC001209429308 814029701 /nfs/dbraw/zinc/02/97/01/814029701.db2.gz XZBSAIPZBKEILC-OAHLLOKOSA-N 1 1 267.413 3.398 20 30 CGEDMO C=CCCCCC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)OC ZINC001209428505 814029739 /nfs/dbraw/zinc/02/97/39/814029739.db2.gz INLRERCSAXAEMZ-QGZVFWFLSA-N 1 1 287.403 3.333 20 30 CGEDMO C=CCCCCC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)OC ZINC001209428505 814029745 /nfs/dbraw/zinc/02/97/45/814029745.db2.gz INLRERCSAXAEMZ-QGZVFWFLSA-N 1 1 287.403 3.333 20 30 CGEDMO C=CCCCCCN1CCC([N@H+](C)C2CCOCC2)CC1 ZINC001209429089 814030808 /nfs/dbraw/zinc/03/08/08/814030808.db2.gz SRILSPXPILWNPP-UHFFFAOYSA-N 1 1 294.483 3.308 20 30 CGEDMO C=CCCCCCN1CCC([N@@H+](C)C2CCOCC2)CC1 ZINC001209429089 814030812 /nfs/dbraw/zinc/03/08/12/814030812.db2.gz SRILSPXPILWNPP-UHFFFAOYSA-N 1 1 294.483 3.308 20 30 CGEDMO C=CCCCCCN1CCC([N@H+](C)C2CC2)CC1 ZINC001209433191 814033927 /nfs/dbraw/zinc/03/39/27/814033927.db2.gz RGZNOSCJARSIAR-UHFFFAOYSA-N 1 1 250.430 3.291 20 30 CGEDMO C=CCCCCCN1CCC([N@@H+](C)C2CC2)CC1 ZINC001209433191 814033932 /nfs/dbraw/zinc/03/39/32/814033932.db2.gz RGZNOSCJARSIAR-UHFFFAOYSA-N 1 1 250.430 3.291 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](Oc2nccnc2C)C1 ZINC001209432554 814033951 /nfs/dbraw/zinc/03/39/51/814033951.db2.gz GUQAFOOPPWFCGF-MRXNPFEDSA-N 1 1 289.423 3.375 20 30 CGEDMO C=CCCCCCC[N@@H+]1CC[C@@H](C(=O)OCC)C1 ZINC001209436478 814036770 /nfs/dbraw/zinc/03/67/70/814036770.db2.gz RTMVPDSVKPZTRR-CQSZACIVSA-N 1 1 253.386 3.008 20 30 CGEDMO C=CCCCCCCC[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC001209441856 814040730 /nfs/dbraw/zinc/04/07/30/814040730.db2.gz LQOGMLLLCLGOFB-MRXNPFEDSA-N 1 1 276.428 3.442 20 30 CGEDMO C=CCCCCCCC[N@H+]1CCN(C(C)=O)[C@@H](C)C1 ZINC001209441679 814041271 /nfs/dbraw/zinc/04/12/71/814041271.db2.gz JKLYKURTHDFWOB-HNNXBMFYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCCCCCC[N@H+]1CCC[C@@H](Oc2cnccn2)C1 ZINC001209441197 814041749 /nfs/dbraw/zinc/04/17/49/814041749.db2.gz VCDCIBURMWWHOQ-MRXNPFEDSA-N 1 1 289.423 3.456 20 30 CGEDMO C=CCCCCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001209440633 814041957 /nfs/dbraw/zinc/04/19/57/814041957.db2.gz MWYNTRLLWKNYMD-MRXNPFEDSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCCCCCC[N@H+]1CC[C@@H](Oc2cnccn2)C1 ZINC001209442846 814042915 /nfs/dbraw/zinc/04/29/15/814042915.db2.gz XKNBHXQAADFOJK-MRXNPFEDSA-N 1 1 289.423 3.456 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CC[C@H](CC(=O)OC)C1 ZINC001209442437 814043357 /nfs/dbraw/zinc/04/33/57/814043357.db2.gz SDVFLTURMMIZEV-OAHLLOKOSA-N 1 1 267.413 3.398 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CCO[C@@H](CC(=O)OC)C1 ZINC001209444013 814043668 /nfs/dbraw/zinc/04/36/68/814043668.db2.gz KMNZMRROAORIHB-INIZCTEOSA-N 1 1 297.439 3.167 20 30 CGEDMO C=CCCCCCCCC[N@H+]1CCO[C@@H](CC(=O)OC)C1 ZINC001209444013 814043671 /nfs/dbraw/zinc/04/36/71/814043671.db2.gz KMNZMRROAORIHB-INIZCTEOSA-N 1 1 297.439 3.167 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2[nH]nc3ccc(Cl)cc32)C1 ZINC001209760033 814133795 /nfs/dbraw/zinc/13/37/95/814133795.db2.gz RYXMZVMPVNHYGO-NSHDSACASA-N 1 1 273.767 3.062 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2[nH]nc3ccc(Cl)cc32)C1 ZINC001209760033 814133801 /nfs/dbraw/zinc/13/38/01/814133801.db2.gz RYXMZVMPVNHYGO-NSHDSACASA-N 1 1 273.767 3.062 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1cnccn1 ZINC001209785581 814139785 /nfs/dbraw/zinc/13/97/85/814139785.db2.gz ORHIRPWGASMXMG-UHFFFAOYSA-N 1 1 253.349 3.055 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(CC)CCCC2)C1 ZINC001209944417 814207924 /nfs/dbraw/zinc/20/79/24/814207924.db2.gz FSIMNHJLARTAFZ-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCCCCCCC[N@H+]1CCN[C@@H](COC)C1 ZINC001210028636 814253171 /nfs/dbraw/zinc/25/31/71/814253171.db2.gz MINHNSUDZDAIGE-QGZVFWFLSA-N 1 1 282.472 3.213 20 30 CGEDMO C=CCCCCCCCCCN1CC[NH2+][C@@H](COC)C1 ZINC001210028636 814253181 /nfs/dbraw/zinc/25/31/81/814253181.db2.gz MINHNSUDZDAIGE-QGZVFWFLSA-N 1 1 282.472 3.213 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C)C1 ZINC001210491435 814486821 /nfs/dbraw/zinc/48/68/21/814486821.db2.gz QHYUSLPFNHFHLA-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)CCCCC)C1 ZINC001211218371 814853837 /nfs/dbraw/zinc/85/38/37/814853837.db2.gz TVYNMEGKJBZTFN-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)CC(C)(C)C)C1 ZINC001211227991 814855684 /nfs/dbraw/zinc/85/56/84/814855684.db2.gz FSLHAAAMWIRXQM-HUUCEWRRSA-N 1 1 294.483 3.461 20 30 CGEDMO COc1c[nH+]ccc1Nc1oc(-c2ccccc2)cc1C#N ZINC001211260988 814864753 /nfs/dbraw/zinc/86/47/53/814864753.db2.gz YUSGGQPOEWJXOD-UHFFFAOYSA-N 1 1 291.310 3.387 20 30 CGEDMO Cc1[nH+]c2ccccn2c1Nc1cc(C#N)cc([N+](=O)[O-])c1 ZINC001211327247 814878790 /nfs/dbraw/zinc/87/87/90/814878790.db2.gz PDOKLVPUGDAPCO-UHFFFAOYSA-N 1 1 293.286 3.166 20 30 CGEDMO CCc1cc(Nc2[nH+]cc(C)cc2N)ccc1C#N ZINC001216316133 815778109 /nfs/dbraw/zinc/77/81/09/815778109.db2.gz YVTNFRWDGNGSGD-UHFFFAOYSA-N 1 1 252.321 3.150 20 30 CGEDMO Cc1c(O)cccc1Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001216317199 815779156 /nfs/dbraw/zinc/77/91/56/815779156.db2.gz MYFIUFKONOBLRB-UHFFFAOYSA-N 1 1 299.399 3.365 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCC(C)C)[C@@H]2C1 ZINC001221261973 816308824 /nfs/dbraw/zinc/30/88/24/816308824.db2.gz LTLHBDGWTUWHTF-BRWVUGGUSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC1(C(=O)N2C[C@H]3CC[N@H+](CCCC)C[C@H]32)CCC1 ZINC001221796707 816328102 /nfs/dbraw/zinc/32/81/02/816328102.db2.gz RBEBRIAPZDAORD-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC(C)(C)CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCCC ZINC001221792130 816328247 /nfs/dbraw/zinc/32/82/47/816328247.db2.gz JSGGNLALVDAIFG-HNNXBMFYSA-N 1 1 295.471 3.152 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)CCCCC)[C@@H]2C1 ZINC001221853678 816331302 /nfs/dbraw/zinc/33/13/02/816331302.db2.gz RRLFAHXQAYRHIR-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H](OCc2ccc(C#N)s2)C1 ZINC001223287586 816598663 /nfs/dbraw/zinc/59/86/63/816598663.db2.gz BAEMZGRUWORQEZ-GFCCVEGCSA-N 1 1 264.394 3.009 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC)CCC)C[C@@H]21 ZINC001223756373 816677601 /nfs/dbraw/zinc/67/76/01/816677601.db2.gz OVHOMSCWNVBZMF-ZACQAIPSSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCCCO[C@@H]1[C@@H]2CCC[C@H]1C[N@H+](C)C2 ZINC001224428578 816799502 /nfs/dbraw/zinc/79/95/02/816799502.db2.gz URCDZDNLGZKBHV-MUJYYYPQSA-N 1 1 251.414 3.480 20 30 CGEDMO C=CCCCCCCCCOC[C@@H]1C[N@H+](C)CCO1 ZINC001224507944 816817009 /nfs/dbraw/zinc/81/70/09/816817009.db2.gz OJKLHPPOMQGQMH-INIZCTEOSA-N 1 1 269.429 3.250 20 30 CGEDMO C=CCCCCCCCCOC[C@@H]1C[N@@H+](C)CCO1 ZINC001224507944 816817016 /nfs/dbraw/zinc/81/70/16/816817016.db2.gz OJKLHPPOMQGQMH-INIZCTEOSA-N 1 1 269.429 3.250 20 30 CGEDMO Cc1cc[nH+]c(N2CCC(OCCCCCC#N)CC2)c1 ZINC001224689428 816854333 /nfs/dbraw/zinc/85/43/33/816854333.db2.gz CNDDIISQSDXIFM-UHFFFAOYSA-N 1 1 287.407 3.459 20 30 CGEDMO C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@@H]1CCC[N@H+]1C ZINC001224817772 816889550 /nfs/dbraw/zinc/88/95/50/816889550.db2.gz ZSFXABZYXXYLLS-FXUDXRNXSA-N 1 1 251.414 3.478 20 30 CGEDMO C=C(C)[C@H]1CC=C(C)[C@H](OCCC[NH+]2CCOCC2)C1 ZINC001224869079 816898777 /nfs/dbraw/zinc/89/87/77/816898777.db2.gz DIFYPMSHLZLSBB-DLBZAZTESA-N 1 1 279.424 3.026 20 30 CGEDMO Cc1cc[nH+]c(N2CCC(Oc3ccccc3C#N)CC2)c1 ZINC001225198627 816957570 /nfs/dbraw/zinc/95/75/70/816957570.db2.gz ILMKXADIFHWRHH-UHFFFAOYSA-N 1 1 293.370 3.310 20 30 CGEDMO CC[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2Cl)C1 ZINC001225726718 817158592 /nfs/dbraw/zinc/15/85/92/817158592.db2.gz HJUQUGIHTGVVPU-GFCCVEGCSA-N 1 1 264.756 3.075 20 30 CGEDMO C=CC(C)(C)CCCNC(=O)NCC[N@H+](CC)C(C)C ZINC001226243908 817310246 /nfs/dbraw/zinc/31/02/46/817310246.db2.gz BCRPSKHXDGCSJR-UHFFFAOYSA-N 1 1 283.460 3.008 20 30 CGEDMO Cc1cc(C#N)cc(C)c1OC1C[NH+](C(C)(C)C)C1 ZINC001226522271 817385400 /nfs/dbraw/zinc/38/54/00/817385400.db2.gz VRCKIEBCVBQXKE-UHFFFAOYSA-N 1 1 258.365 3.037 20 30 CGEDMO CC[N@H+]1CCC[C@@H](Oc2ccc(C(F)(F)F)cc2C#N)C1 ZINC001227000641 817530370 /nfs/dbraw/zinc/53/03/70/817530370.db2.gz IFIIBTXBQKBWOA-CYBMUJFWSA-N 1 1 298.308 3.440 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc(O)c(C(F)(F)F)c2)C1 ZINC001231522644 818120614 /nfs/dbraw/zinc/12/06/14/818120614.db2.gz JKPCQLVBBLPMJW-NSHDSACASA-N 1 1 283.293 3.256 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(O)c(C(F)(F)F)c2)C1 ZINC001231522644 818120617 /nfs/dbraw/zinc/12/06/17/818120617.db2.gz JKPCQLVBBLPMJW-NSHDSACASA-N 1 1 283.293 3.256 20 30 CGEDMO OC[C@@H]1CCC[N@H+]1Cc1ccccc1C#Cc1ccccc1 ZINC001231576923 818126658 /nfs/dbraw/zinc/12/66/58/818126658.db2.gz KFUJRTUCXUHEGJ-FQEVSTJZSA-N 1 1 291.394 3.043 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@@](C)(CF)C2)c1 ZINC001231620949 818137976 /nfs/dbraw/zinc/13/79/76/818137976.db2.gz JHMJUPGMYGTNGN-INIZCTEOSA-N 1 1 263.356 3.433 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)c1 ZINC001231625444 818140588 /nfs/dbraw/zinc/14/05/88/818140588.db2.gz WYNWLQYYZGVBEN-DOTOQJQBSA-N 1 1 285.387 3.052 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)c1 ZINC001231659372 818149954 /nfs/dbraw/zinc/14/99/54/818149954.db2.gz KHQPRSBCMGFFPF-AWEZNQCLSA-N 1 1 267.294 3.442 20 30 CGEDMO C#Cc1cccc(C[N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)c1 ZINC001231658448 818150313 /nfs/dbraw/zinc/15/03/13/818150313.db2.gz XAEWRLOTNJFECO-GASCZTMLSA-N 1 1 261.315 3.145 20 30 CGEDMO C#Cc1cccc(C[N@H+](CCC)C2CCOCC2)c1 ZINC001231660435 818152042 /nfs/dbraw/zinc/15/20/42/818152042.db2.gz FSFWITCJIXGYKJ-UHFFFAOYSA-N 1 1 257.377 3.059 20 30 CGEDMO C#Cc1cccc(C[N@@H+](C)CCc2cccc(F)c2)c1 ZINC001231660375 818152364 /nfs/dbraw/zinc/15/23/64/818152364.db2.gz FDOQLKDWSSINCW-UHFFFAOYSA-N 1 1 267.347 3.482 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc2cc[nH]c2cn1 ZINC001231672143 818156586 /nfs/dbraw/zinc/15/65/86/818156586.db2.gz CWIJDNLYPBHUFP-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccnc3c(F)cccc23)C1 ZINC001232209176 818277351 /nfs/dbraw/zinc/27/73/51/818277351.db2.gz LNYBENSIDFIXFR-ZDUSSCGKSA-N 1 1 283.350 3.500 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccnc(C(C)(C)C)c2)C1 ZINC001232217992 818282007 /nfs/dbraw/zinc/28/20/07/818282007.db2.gz RUZVBAZBEUEJMD-AWEZNQCLSA-N 1 1 256.393 3.224 20 30 CGEDMO Cc1c(F)cc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc1F ZINC001232422871 818343328 /nfs/dbraw/zinc/34/33/28/818343328.db2.gz JQHJEZAHPASCRL-LBPRGKRZSA-N 1 1 264.319 3.399 20 30 CGEDMO Cc1c(F)cc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1F ZINC001232422871 818343333 /nfs/dbraw/zinc/34/33/33/818343333.db2.gz JQHJEZAHPASCRL-LBPRGKRZSA-N 1 1 264.319 3.399 20 30 CGEDMO N#Cc1ccnc(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c1 ZINC001232481305 818366191 /nfs/dbraw/zinc/36/61/91/818366191.db2.gz CXGDRJAJDAGSGB-GOSISDBHSA-N 1 1 295.361 3.299 20 30 CGEDMO N#Cc1ccnc(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)c1 ZINC001232481306 818367252 /nfs/dbraw/zinc/36/72/52/818367252.db2.gz CXGDRJAJDAGSGB-SFHVURJKSA-N 1 1 295.361 3.299 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1cc2ccoc2cn1 ZINC001232556136 818384384 /nfs/dbraw/zinc/38/43/84/818384384.db2.gz GDOISWOWRGHRBQ-UHFFFAOYSA-N 1 1 277.327 3.331 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc2ccoc2cn1 ZINC001232556136 818384389 /nfs/dbraw/zinc/38/43/89/818384389.db2.gz GDOISWOWRGHRBQ-UHFFFAOYSA-N 1 1 277.327 3.331 20 30 CGEDMO N#Cc1ccc([O-])c(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC001232678102 818418174 /nfs/dbraw/zinc/41/81/74/818418174.db2.gz PJNLTDNAFBLFLI-HUUCEWRRSA-N 1 1 270.376 3.276 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2cccc3ncsc32)CC1 ZINC001232735930 818429029 /nfs/dbraw/zinc/42/90/29/818429029.db2.gz UQJYRAYEVFBQGX-LBPRGKRZSA-N 1 1 271.389 3.422 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2c[nH]c3cc(Cl)ncc23)C1 ZINC001232820319 818448816 /nfs/dbraw/zinc/44/88/16/818448816.db2.gz DXDRHODIBWJBEJ-LLVKDONJSA-N 1 1 288.782 3.342 20 30 CGEDMO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@H]1Cc2ccccc2O1 ZINC001232892527 818466422 /nfs/dbraw/zinc/46/64/22/818466422.db2.gz OFGCBPKHWVMYNX-QGZVFWFLSA-N 1 1 296.345 3.133 20 30 CGEDMO C[N@H+](Cc1cc(F)ccc1C#N)C[C@H]1Cc2ccccc2O1 ZINC001232892527 818466428 /nfs/dbraw/zinc/46/64/28/818466428.db2.gz OFGCBPKHWVMYNX-QGZVFWFLSA-N 1 1 296.345 3.133 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2ccccc2-n2cccc2)C1 ZINC001232911382 818473719 /nfs/dbraw/zinc/47/37/19/818473719.db2.gz RXXOSIGFHWVFNN-HNNXBMFYSA-N 1 1 265.360 3.213 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccccc2-n2cccc2)C1 ZINC001232911382 818473720 /nfs/dbraw/zinc/47/37/20/818473720.db2.gz RXXOSIGFHWVFNN-HNNXBMFYSA-N 1 1 265.360 3.213 20 30 CGEDMO C=CCCCC[N@@H+](C)Cc1ccc(F)c(O)c1F ZINC001232936776 818477025 /nfs/dbraw/zinc/47/70/25/818477025.db2.gz GHSOZEOWSDJODP-UHFFFAOYSA-N 1 1 255.308 3.459 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccc(F)c(O)c1F ZINC001232936776 818477028 /nfs/dbraw/zinc/47/70/28/818477028.db2.gz GHSOZEOWSDJODP-UHFFFAOYSA-N 1 1 255.308 3.459 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCc3ccsc3C2)c(C#N)c1 ZINC001232966294 818485709 /nfs/dbraw/zinc/48/57/09/818485709.db2.gz KBMPCAPOTQZLBT-UHFFFAOYSA-N 1 1 268.385 3.487 20 30 CGEDMO Cc1ccc(C[N@H+]2CCc3ccsc3C2)c(C#N)c1 ZINC001232966294 818485714 /nfs/dbraw/zinc/48/57/14/818485714.db2.gz KBMPCAPOTQZLBT-UHFFFAOYSA-N 1 1 268.385 3.487 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(C#N)c2F)C2(CC2)C1 ZINC001233102731 818520776 /nfs/dbraw/zinc/52/07/76/818520776.db2.gz LNCXNBNWRVWQNH-LBPRGKRZSA-N 1 1 287.382 3.138 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc2c1CCO2 ZINC001233276482 818561958 /nfs/dbraw/zinc/56/19/58/818561958.db2.gz NKETYNBSAANTLH-UHFFFAOYSA-N 1 1 278.355 3.125 20 30 CGEDMO C=CC[N@@H+](Cc1c([O-])ccc(F)c1F)C(C)(C)C ZINC001233336580 818588182 /nfs/dbraw/zinc/58/81/82/818588182.db2.gz QSXKPJXQZMYSBB-UHFFFAOYSA-N 1 1 255.308 3.457 20 30 CGEDMO C=CC[N@H+](Cc1c(O)ccc(F)c1F)C(C)(C)C ZINC001233336580 818588189 /nfs/dbraw/zinc/58/81/89/818588189.db2.gz QSXKPJXQZMYSBB-UHFFFAOYSA-N 1 1 255.308 3.457 20 30 CGEDMO C=CC[N@@H+](Cc1c(O)ccc(F)c1F)C(C)(C)C ZINC001233336580 818588195 /nfs/dbraw/zinc/58/81/95/818588195.db2.gz QSXKPJXQZMYSBB-UHFFFAOYSA-N 1 1 255.308 3.457 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)c(O)c1 ZINC001233385569 818606862 /nfs/dbraw/zinc/60/68/62/818606862.db2.gz MQUDFQHKMDJKLR-GFCCVEGCSA-N 1 1 284.281 3.038 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)c(O)c1 ZINC001233385569 818606870 /nfs/dbraw/zinc/60/68/70/818606870.db2.gz MQUDFQHKMDJKLR-GFCCVEGCSA-N 1 1 284.281 3.038 20 30 CGEDMO CC1(C)C[N@H+](Cc2ccc(C#N)cc2O)CCC1(F)F ZINC001233384166 818607645 /nfs/dbraw/zinc/60/76/45/818607645.db2.gz JZWDKRMVWDVPLH-UHFFFAOYSA-N 1 1 280.318 3.131 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2O)CCC1(F)F ZINC001233384166 818607648 /nfs/dbraw/zinc/60/76/48/818607648.db2.gz JZWDKRMVWDVPLH-UHFFFAOYSA-N 1 1 280.318 3.131 20 30 CGEDMO N#Cc1cccc2ccc(O[C@@H]3CCc4[nH+]ccn4C3)cc12 ZINC001233566903 818644172 /nfs/dbraw/zinc/64/41/72/818644172.db2.gz XGLABVUCYPRKIH-MRXNPFEDSA-N 1 1 289.338 3.302 20 30 CGEDMO C=CCC(CC=C)C(=O)N(C)C[C@@H]1CC[N@H+]1CCC1CC1 ZINC001234509296 818870205 /nfs/dbraw/zinc/87/02/05/818870205.db2.gz KBLRTUHLHMJRHA-KRWDZBQOSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@]1(C)CC=CCC1 ZINC001234529517 818876113 /nfs/dbraw/zinc/87/61/13/818876113.db2.gz ZPUHTLHYJAFKKQ-AEFFLSMTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)/C=C(\C)C1CC1 ZINC001234541294 818879236 /nfs/dbraw/zinc/87/92/36/818879236.db2.gz ZWQYWYMQLDTMDJ-SZGUKTLCSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@H+](Cc1c[nH]c(C(=O)OCC)c1)Cc1ccccc1 ZINC001234949006 818962294 /nfs/dbraw/zinc/96/22/94/818962294.db2.gz QELUVVLARXNYLT-UHFFFAOYSA-N 1 1 298.386 3.380 20 30 CGEDMO CCCCCCC/C=C/C[N@@H+]1CCC[C@]2(CNCCO2)C1 ZINC001235114011 819008296 /nfs/dbraw/zinc/00/82/96/819008296.db2.gz IPNPLZZRKQYDOP-BLGFXRMMSA-N 1 1 294.483 3.358 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CCC[C@]2(CNCCO2)C1 ZINC001235114011 819008300 /nfs/dbraw/zinc/00/83/00/819008300.db2.gz IPNPLZZRKQYDOP-BLGFXRMMSA-N 1 1 294.483 3.358 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(C)CCCCCC1 ZINC001235455156 819102221 /nfs/dbraw/zinc/10/22/21/819102221.db2.gz OVJRBZBZEUPBLA-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC(=O)NCCC[N@H+](C)[C@H]1CCc2ccccc21 ZINC001235451076 819102354 /nfs/dbraw/zinc/10/23/54/819102354.db2.gz BXURCOKCLXEIRD-KRWDZBQOSA-N 1 1 286.419 3.078 20 30 CGEDMO C=CCCC(=O)NCCC[N@H+](C)CCC1=CCCCC1 ZINC001235451080 819102904 /nfs/dbraw/zinc/10/29/04/819102904.db2.gz BYMZZTXEABOVSF-UHFFFAOYSA-N 1 1 278.440 3.281 20 30 CGEDMO COCC[C@H]1CCCC[N@H+]1Cc1ccccc1CC#N ZINC001235523759 819114531 /nfs/dbraw/zinc/11/45/31/819114531.db2.gz UDPNWFXXEXIFRP-QGZVFWFLSA-N 1 1 272.392 3.144 20 30 CGEDMO N#CCc1ccccc1C[N@@H+](C1CCC1)C1CCOCC1 ZINC001235526274 819116186 /nfs/dbraw/zinc/11/61/86/819116186.db2.gz BZBHYZCYWFMSFA-UHFFFAOYSA-N 1 1 284.403 3.286 20 30 CGEDMO C=CCC[N@H+](Cc1c(C)ncn1C)Cc1ccccc1 ZINC001235544589 819120900 /nfs/dbraw/zinc/12/09/00/819120900.db2.gz UCMOPVOBOZTWBY-UHFFFAOYSA-N 1 1 269.392 3.307 20 30 CGEDMO N#Cc1cc(F)c(C[N@H+]2CCC[C@H](CF)C2)c(F)c1 ZINC001235656438 819130158 /nfs/dbraw/zinc/13/01/58/819130158.db2.gz DRJPZVCCLLIPSG-SNVBAGLBSA-N 1 1 268.282 3.018 20 30 CGEDMO N#Cc1cc(F)c(C[N@@H+]2CCC[C@H](CF)C2)c(F)c1 ZINC001235656438 819130162 /nfs/dbraw/zinc/13/01/62/819130162.db2.gz DRJPZVCCLLIPSG-SNVBAGLBSA-N 1 1 268.282 3.018 20 30 CGEDMO CC(C)[N@@H+](Cc1c(F)cc(C#N)cc1F)C1CCOCC1 ZINC001235660511 819132078 /nfs/dbraw/zinc/13/20/78/819132078.db2.gz FMZAVYJODJFTTB-UHFFFAOYSA-N 1 1 294.345 3.226 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCN[C@@H](c2ccccc2)C1 ZINC001235858462 819188939 /nfs/dbraw/zinc/18/89/39/819188939.db2.gz XYHWJWCIYJYDKO-LJQANCHMSA-N 1 1 291.398 3.013 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCN[C@@H](c2ccccc2)C1 ZINC001235858462 819188946 /nfs/dbraw/zinc/18/89/46/819188946.db2.gz XYHWJWCIYJYDKO-LJQANCHMSA-N 1 1 291.398 3.013 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCc2cc(N)ccc2C1 ZINC001236105840 819322820 /nfs/dbraw/zinc/32/28/20/819322820.db2.gz SNAQTUJTUITOSV-UHFFFAOYSA-N 1 1 294.398 3.392 20 30 CGEDMO CCCCCCCCCC[N@@H+]1CC[C@](F)(CN)C1 ZINC001236433661 819476773 /nfs/dbraw/zinc/47/67/73/819476773.db2.gz GQZQJXNHMDGEIT-HNNXBMFYSA-N 1 1 258.425 3.500 20 30 CGEDMO CCCCCCCCCC[N@H+]1CC[C@](F)(CN)C1 ZINC001236433661 819476778 /nfs/dbraw/zinc/47/67/78/819476778.db2.gz GQZQJXNHMDGEIT-HNNXBMFYSA-N 1 1 258.425 3.500 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(-n2cncn2)c1)C(C)(C)C ZINC001236889313 819632359 /nfs/dbraw/zinc/63/23/59/819632359.db2.gz KHQHPESSFWVLOP-UHFFFAOYSA-N 1 1 270.380 3.054 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(-n3ccnc3)cc2Cl)C1 ZINC001236915875 819637389 /nfs/dbraw/zinc/63/73/89/819637389.db2.gz GBOBGKXCIKWWEF-CQSZACIVSA-N 1 1 299.805 3.371 20 30 CGEDMO N#CC1CC[NH+](Cc2ccc(F)c(N3CCCC3)c2)CC1 ZINC001237085521 819664434 /nfs/dbraw/zinc/66/44/34/819664434.db2.gz APRXPNWUGGFVGS-UHFFFAOYSA-N 1 1 287.382 3.161 20 30 CGEDMO CCCC[N@@H+](C)Cc1cn(C)c2ccc(C#N)cc12 ZINC001237467334 819759325 /nfs/dbraw/zinc/75/93/25/819759325.db2.gz UICASRITDGHUFG-UHFFFAOYSA-N 1 1 255.365 3.282 20 30 CGEDMO C[N@H+](Cc1cc(C#N)c(F)cc1F)C[C@@H]1CC1(C)C ZINC001237530970 819772697 /nfs/dbraw/zinc/77/26/97/819772697.db2.gz URIJNBPJXGZYOP-LBPRGKRZSA-N 1 1 264.319 3.314 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)c(F)cc1F ZINC001237527976 819772828 /nfs/dbraw/zinc/77/28/28/819772828.db2.gz NIBKNHMGWVFNGG-NEPJUHHUSA-N 1 1 276.330 3.458 20 30 CGEDMO N#Cc1cc(Cl)cc(C[NH+]2CC(c3cccnc3)C2)c1 ZINC001237754396 819838143 /nfs/dbraw/zinc/83/81/43/819838143.db2.gz UYXTYHRSEPJLMH-UHFFFAOYSA-N 1 1 283.762 3.206 20 30 CGEDMO CC1(C#N)CC[NH+](Cc2cccc(N3CCCCC3)n2)CC1 ZINC001238004161 819910500 /nfs/dbraw/zinc/91/05/00/819910500.db2.gz PVKZGZUXLPUOIW-UHFFFAOYSA-N 1 1 298.434 3.198 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)CC[C@]1(C)O ZINC001238079589 819926673 /nfs/dbraw/zinc/92/66/73/819926673.db2.gz DMYFNVKNNQRVCU-WBMJQRKESA-N 1 1 292.810 3.195 20 30 CGEDMO CSCC[N@@H+](C)Cc1ccc(Cl)c(C#N)c1 ZINC001238199425 819953956 /nfs/dbraw/zinc/95/39/56/819953956.db2.gz SXXLTVHHGGDFQA-UHFFFAOYSA-N 1 1 254.786 3.006 20 30 CGEDMO COc1cc(C[N@H+]2CCCC[C@@](C)(F)C2)ccc1C#N ZINC001238411040 819987564 /nfs/dbraw/zinc/98/75/64/819987564.db2.gz XLRJXGXAIQOFCA-MRXNPFEDSA-N 1 1 276.355 3.281 20 30 CGEDMO COc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)ccc1C#N ZINC001238409922 819987862 /nfs/dbraw/zinc/98/78/62/819987862.db2.gz KSZKAQWMGWGEJB-OKILXGFUSA-N 1 1 292.329 3.044 20 30 CGEDMO Cc1cnc(C[N@@H+](C)Cc2cccc(C#N)c2)c(C)c1 ZINC001238435316 819997285 /nfs/dbraw/zinc/99/72/85/819997285.db2.gz LYAQJFUNUQPXHN-UHFFFAOYSA-N 1 1 265.360 3.202 20 30 CGEDMO CCc1cc(C[N@H+]2CC(C)(C)C[C@@]2(C)CO)ccc1C#N ZINC001238767677 820113081 /nfs/dbraw/zinc/11/30/81/820113081.db2.gz XWRPSNSIKJPBSN-SFHVURJKSA-N 1 1 286.419 3.104 20 30 CGEDMO CCc1cc(C[NH+]2CC3(C2)C[C@@H](F)CS3)ccc1C#N ZINC001238768648 820113464 /nfs/dbraw/zinc/11/34/64/820113464.db2.gz LVAMXUPNDNMFRI-OAHLLOKOSA-N 1 1 290.407 3.150 20 30 CGEDMO CCc1cc(C[N@@H+]2CC[C@](C)(F)[C@H](F)C2)ccc1C#N ZINC001238767077 820113587 /nfs/dbraw/zinc/11/35/87/820113587.db2.gz RPCCWGSVHRCMMD-CVEARBPZSA-N 1 1 278.346 3.393 20 30 CGEDMO CCc1cc(C[N@H+]2CC[C@](C)(F)[C@H](F)C2)ccc1C#N ZINC001238767077 820113592 /nfs/dbraw/zinc/11/35/92/820113592.db2.gz RPCCWGSVHRCMMD-CVEARBPZSA-N 1 1 278.346 3.393 20 30 CGEDMO CCc1cc(C[N@H+]2CC[C@@H](OC)C[C@@H]2C)ccc1C#N ZINC001238771443 820114530 /nfs/dbraw/zinc/11/45/30/820114530.db2.gz FHTDFSRJOIPKAW-SUMWQHHRSA-N 1 1 272.392 3.120 20 30 CGEDMO N#CCOc1ccccc1-c1cc(N2CCCC2)cc[nH+]1 ZINC001243585767 823456706 /nfs/dbraw/zinc/45/67/06/823456706.db2.gz YFQYBCRWMUEUCI-UHFFFAOYSA-N 1 1 279.343 3.251 20 30 CGEDMO C[N@H+]1CCc2cc(-c3cc(F)c(C#N)c(F)c3)ccc2C1 ZINC001239927757 820705313 /nfs/dbraw/zinc/70/53/13/820705313.db2.gz RJUVXVSLFGEFST-UHFFFAOYSA-N 1 1 284.309 3.491 20 30 CGEDMO C[N@@H+]1CC=C(c2ccc(C#C[Si](C)(C)C)cn2)CC1 ZINC001241307910 821721297 /nfs/dbraw/zinc/72/12/97/821721297.db2.gz MEWFMIFUXTWUCA-UHFFFAOYSA-N 1 1 270.452 3.029 20 30 CGEDMO C[N@@H+]1CC=C(c2ncc(C#N)c3oc(C(C)(C)C)nc32)CC1 ZINC001241311323 821722599 /nfs/dbraw/zinc/72/25/99/821722599.db2.gz VALGIIUHNWIZGC-UHFFFAOYSA-N 1 1 296.374 3.111 20 30 CGEDMO C[N@H+]1CCC=C(c2nc(-c3cccs3)ccc2C#N)C1 ZINC001241568495 821954958 /nfs/dbraw/zinc/95/49/58/821954958.db2.gz UCWDNOKQKPBNBU-UHFFFAOYSA-N 1 1 281.384 3.401 20 30 CGEDMO CCc1cc(C2=CCC[N@@H+](C)C2)cc(CC)c1C#N ZINC001241570927 821956552 /nfs/dbraw/zinc/95/65/52/821956552.db2.gz QXCAGPVQIQDIPO-UHFFFAOYSA-N 1 1 254.377 3.402 20 30 CGEDMO N#CCc1ccccc1-c1cccc(C[NH+]2CCOCC2)c1 ZINC001241817845 822159770 /nfs/dbraw/zinc/15/97/70/822159770.db2.gz RRMFCQJBESSBHC-UHFFFAOYSA-N 1 1 292.382 3.252 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)C=C(CC)CC)C(C)(C)C1 ZINC001330184189 935274196 /nfs/dbraw/zinc/27/41/96/935274196.db2.gz LSKODJKMDLSICN-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C#Cc1ccc(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)nc1 ZINC001339579864 936378695 /nfs/dbraw/zinc/37/86/95/936378695.db2.gz YRTZKDKSICFDFQ-AEFFLSMTSA-N 1 1 297.446 3.154 20 30 CGEDMO Cc1ccc(C#N)nc1N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001339657938 936382306 /nfs/dbraw/zinc/38/23/06/936382306.db2.gz BMJCDRFFOGXVIO-GJZGRUSLSA-N 1 1 298.434 3.327 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC001341024241 936424747 /nfs/dbraw/zinc/42/47/47/936424747.db2.gz HVKUABBRTJKBOY-HNNXBMFYSA-N 1 1 262.397 3.127 20 30 CGEDMO CC[C@H]1Cc2ccccc2C[N@H+]1Cc1cncc(C#N)c1 ZINC001341105532 936427829 /nfs/dbraw/zinc/42/78/29/936427829.db2.gz MEOCKGAUGDOIPO-SFHVURJKSA-N 1 1 277.371 3.290 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCCC3)C1 ZINC001343800237 936513963 /nfs/dbraw/zinc/51/39/63/936513963.db2.gz NTFBVQMPJPGRTH-GOSISDBHSA-N 1 1 271.404 3.342 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2cccc(C3CC3)c2)C1 ZINC001345229034 936806992 /nfs/dbraw/zinc/80/69/92/936806992.db2.gz LCWOFUOCMXLYJM-KRWDZBQOSA-N 1 1 257.377 3.341 20 30 CGEDMO C=C(CC)C(=O)N1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC001346721835 936858202 /nfs/dbraw/zinc/85/82/02/936858202.db2.gz IBGZPOMALGBIKD-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C[NH+](C)[C@@H]1CCCC[C@H]1NCc1ccc(C2(C#N)CC2)cc1 ZINC001347355388 936881089 /nfs/dbraw/zinc/88/10/89/936881089.db2.gz CVJIXKQBBMPXLO-QZTJIDSGSA-N 1 1 297.446 3.204 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](C[C@@H]2CC3(CO2)CCCCC3)C1 ZINC001473788729 937821761 /nfs/dbraw/zinc/82/17/61/937821761.db2.gz SSPZLIMCIJGWJD-CVEARBPZSA-N 1 1 261.409 3.071 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC001479909783 936922599 /nfs/dbraw/zinc/92/25/99/936922599.db2.gz QDKUIXYUMBEKQY-HZPDHXFCSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)CCC)C1 ZINC001479909799 936922879 /nfs/dbraw/zinc/92/28/79/936922879.db2.gz QTHQHZPXZIMQFY-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)CC2CCC2)C1 ZINC001480074483 937015314 /nfs/dbraw/zinc/01/53/14/937015314.db2.gz JBLTVBFRMWMOTF-QGZVFWFLSA-N 1 1 292.467 3.313 20 30 CGEDMO CCOC(=O)[C@@H](C)[N@@H+](CCCCC1(C#N)CCC1)C1CC1 ZINC001351387010 937016475 /nfs/dbraw/zinc/01/64/75/937016475.db2.gz FCMMZBDOANZYHC-CQSZACIVSA-N 1 1 292.423 3.267 20 30 CGEDMO N#CCOc1ccc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC001354238097 937095598 /nfs/dbraw/zinc/09/55/98/937095598.db2.gz VMNSMQMDELCCHY-IAGOWNOFSA-N 1 1 285.391 3.018 20 30 CGEDMO C=C(C)C[N@@H+](C)CCNC(=O)[C@@]1(C)CCC(C)=C(C)C1 ZINC001480954567 926836028 /nfs/dbraw/zinc/83/60/28/926836028.db2.gz DKWQSZHJRCXYOV-KRWDZBQOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)c1c(C)[nH]c2ccccc21 ZINC001480987010 926852747 /nfs/dbraw/zinc/85/27/47/926852747.db2.gz RWUGOFDUYOLVOV-UHFFFAOYSA-N 1 1 299.418 3.104 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)[C@H]1C[C@]1(C)C(C)C ZINC001481010122 926858255 /nfs/dbraw/zinc/85/82/55/926858255.db2.gz UADUEPSXJXMOSX-NVXWUHKLSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CC[N@@H+](CC)CCNC(=O)C(C)(C)CC(C)(C)C ZINC001481018302 926861438 /nfs/dbraw/zinc/86/14/38/926861438.db2.gz HYAHEWPDWIBMBE-UHFFFAOYSA-N 1 1 268.445 3.073 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CCC[N@H+]2CC2CCC2)CCC1 ZINC001481056480 926874898 /nfs/dbraw/zinc/87/48/98/926874898.db2.gz KBKFLNZZQGLLTJ-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001481060919 926875716 /nfs/dbraw/zinc/87/57/16/926875716.db2.gz NNNOFAKVMKDWJD-MPGHIAIKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001481084458 926883730 /nfs/dbraw/zinc/88/37/30/926883730.db2.gz WKPIHLCOMQBWMW-HZPDHXFCSA-N 1 1 286.419 3.152 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CCNC(=O)C1CC(C)(C)C1)C1CC1 ZINC001481166356 926900152 /nfs/dbraw/zinc/90/01/52/926900152.db2.gz JZOYXUAETQMNRX-AWEZNQCLSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CCC)C(=O)C2CCC2)C1 ZINC001481389933 926974023 /nfs/dbraw/zinc/97/40/23/926974023.db2.gz YLGFPMYRJSTSDY-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC1(C(=O)NCC[C@H]2CC[N@H+](CC(=C)C)C2)CCC1 ZINC001481446961 926988327 /nfs/dbraw/zinc/98/83/27/926988327.db2.gz MGMCUXULCXZTBO-INIZCTEOSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)C=C(CC)CC)C1 ZINC001481480973 926998735 /nfs/dbraw/zinc/99/87/35/926998735.db2.gz DCDLRNHXKAVTRQ-KRWDZBQOSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@@H](C[N@@H+](C)CCC2CC2)C1 ZINC001481496668 927004812 /nfs/dbraw/zinc/00/48/12/927004812.db2.gz DCJQYSNAQQJYIZ-INIZCTEOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@H](C[N@@H+](C)CC=C(C)C)C1 ZINC001481496631 927004979 /nfs/dbraw/zinc/00/49/79/927004979.db2.gz CTFMYQIHOHYZLK-MRXNPFEDSA-N 1 1 292.467 3.335 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001481536733 927019536 /nfs/dbraw/zinc/01/95/36/927019536.db2.gz KMBACCPUBVZLRW-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC(CC)CC ZINC001481678668 927054414 /nfs/dbraw/zinc/05/44/14/927054414.db2.gz NWCSIIKPSUNCHE-HOTGVXAUSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)C2(CC=C)CCCCC2)C1 ZINC001481752988 927078661 /nfs/dbraw/zinc/07/86/61/927078661.db2.gz MKESIBZPKGUANH-INIZCTEOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)CCC2(C)CC2)C1 ZINC001481778693 927085784 /nfs/dbraw/zinc/08/57/84/927085784.db2.gz XILSYMDSHAWVPP-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C#CCCCCCC(=O)N(CC)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001481770056 927086245 /nfs/dbraw/zinc/08/62/45/927086245.db2.gz ABFLGBSGUJHTEK-KRWDZBQOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)c1sccc1C ZINC001482575559 927299859 /nfs/dbraw/zinc/29/98/59/927299859.db2.gz BHVPLMCYEPYQSH-UHFFFAOYSA-N 1 1 280.437 3.027 20 30 CGEDMO CC(C)[NH+]1CC(Oc2ccc(C#N)cc2C(C)(C)C)C1 ZINC001228994784 927315579 /nfs/dbraw/zinc/31/55/79/927315579.db2.gz GCBMFKSOTDACPZ-UHFFFAOYSA-N 1 1 272.392 3.327 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N(C)CC[N@@H+](C)CCC(C)(C)C ZINC001482621183 927328782 /nfs/dbraw/zinc/32/87/82/927328782.db2.gz HKFQWQWGVWQUGR-HNNXBMFYSA-N 1 1 282.472 3.415 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)[C@H](C)CCC(C)(C)C ZINC001482642252 927335850 /nfs/dbraw/zinc/33/58/50/927335850.db2.gz AUVYXTZQVOCNNI-OAHLLOKOSA-N 1 1 282.472 3.415 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001506028454 927383227 /nfs/dbraw/zinc/38/32/27/927383227.db2.gz WOKNZWVNZSFONK-JYJNAYRXSA-N 1 1 280.456 3.071 20 30 CGEDMO C#CCCCCC(=O)N[C@H]1CCC[N@H+](CCCCC)[C@H]1C ZINC001507372238 927501768 /nfs/dbraw/zinc/50/17/68/927501768.db2.gz JMADAAJFNAPTRK-IRXDYDNUSA-N 1 1 292.467 3.339 20 30 CGEDMO C=CCCCC(=O)N1CCCC[C@H]1[C@@H]1CC[N@H+](CC)C1 ZINC001483801685 927625032 /nfs/dbraw/zinc/62/50/32/927625032.db2.gz KXNIWHYMWGDSIL-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)CCCC)C2)C1 ZINC001483839855 927633768 /nfs/dbraw/zinc/63/37/68/927633768.db2.gz HNLVEJCSKKBIOP-QGZVFWFLSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCC1(C(=O)N(C)C2C[NH+](CC[C@@H](C)F)C2)CCCC1 ZINC001483893893 927644520 /nfs/dbraw/zinc/64/45/20/927644520.db2.gz HFXIFCDMNNWBBO-CQSZACIVSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC[N@@H+]1CCC[C@](C)(CNC(=O)CCCCCC)C1 ZINC001484176970 927686867 /nfs/dbraw/zinc/68/68/67/927686867.db2.gz ZDTDGXPFGOKFFV-QGZVFWFLSA-N 1 1 280.456 3.361 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCCC(C)C ZINC001484465747 927708989 /nfs/dbraw/zinc/70/89/89/927708989.db2.gz UOLWRSCXUBUVMI-DLBZAZTESA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1(CC)CC1 ZINC001484463663 927710693 /nfs/dbraw/zinc/71/06/93/927710693.db2.gz KBTGWRFJWSNABP-HOTGVXAUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C=C(CC)CC)CC1 ZINC001484711093 927740334 /nfs/dbraw/zinc/74/03/34/927740334.db2.gz KJYFGBFANOJBQM-MRXNPFEDSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[N@H+](CC=C(C)C)CC1(C)C ZINC001484939480 927773404 /nfs/dbraw/zinc/77/34/04/927773404.db2.gz WNTDEWKUBBGDSO-OAHLLOKOSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)C(CC)CC)C(C)(C)C1 ZINC001484935887 927774390 /nfs/dbraw/zinc/77/43/90/927774390.db2.gz BMISWAZJTVARIP-GDBMZVCRSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[C@H](C)C2CC2)C(C)(C)C1 ZINC001484943412 927774666 /nfs/dbraw/zinc/77/46/66/927774666.db2.gz NNGOIMMWMKHOJP-HOCLYGCPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)CNC(=O)c1ccc(-c2ccccc2)o1 ZINC001485352975 927853757 /nfs/dbraw/zinc/85/37/57/927853757.db2.gz ANUHEQKKYSPJNW-AWEZNQCLSA-N 1 1 298.386 3.183 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)Cc1ccc(F)c(Cl)c1 ZINC001473432856 937199018 /nfs/dbraw/zinc/19/90/18/937199018.db2.gz XYFFCVYNVDWCQY-UHFFFAOYSA-N 1 1 284.806 3.419 20 30 CGEDMO C=CCN(C)CC[N@@H+](CC)Cc1ccc(F)c(Cl)c1 ZINC001473432856 937199020 /nfs/dbraw/zinc/19/90/20/937199020.db2.gz XYFFCVYNVDWCQY-UHFFFAOYSA-N 1 1 284.806 3.419 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)Cc1ccc(F)c(Cl)c1 ZINC001473432856 937199022 /nfs/dbraw/zinc/19/90/22/937199022.db2.gz XYFFCVYNVDWCQY-UHFFFAOYSA-N 1 1 284.806 3.419 20 30 CGEDMO C#CCCCC(=O)NC[C@@H]1CCCCC[N@@H+]1CCCC=C ZINC001485476441 927875560 /nfs/dbraw/zinc/87/55/60/927875560.db2.gz ATYALLFRMVQPJC-KRWDZBQOSA-N 1 1 290.451 3.117 20 30 CGEDMO C=CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)CC ZINC001485474088 927876098 /nfs/dbraw/zinc/87/60/98/927876098.db2.gz LKGZNVWTKMSLAG-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@H](NC(=O)C2CCCC2)C(C)(C)C1 ZINC001485559552 927887231 /nfs/dbraw/zinc/88/72/31/927887231.db2.gz YTVXHYAGMDKMGX-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)C(C)(C)CC(C)C)C(C)(C)C1 ZINC001485582863 927889021 /nfs/dbraw/zinc/88/90/21/927889021.db2.gz VDVLMEYIOUQXTM-HNNXBMFYSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)[C@H](C)CCC(C)(C)C)C(C)(C)C1 ZINC001485583277 927893543 /nfs/dbraw/zinc/89/35/43/927893543.db2.gz ZNSIRHFSJCFYTP-CABCVRRESA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)[C@](C)(C=C)CC)CC1 ZINC001485762646 927914610 /nfs/dbraw/zinc/91/46/10/927914610.db2.gz GLADMBVLDWIPRG-GOSISDBHSA-N 1 1 292.467 3.478 20 30 CGEDMO C#CCC[N@H+](C)C1CCN(C(=O)C[C@H](CC)C(C)C)CC1 ZINC001485766286 927918959 /nfs/dbraw/zinc/91/89/59/927918959.db2.gz FWMKOARPWWODGU-INIZCTEOSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)C=C(CC)CC)CCC[C@H]12 ZINC001486149517 927990470 /nfs/dbraw/zinc/99/04/70/927990470.db2.gz GZNWLMXUHCQJKK-WMZOPIPTSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C(C)(CC)CC)[C@H]1C ZINC001486187631 927997228 /nfs/dbraw/zinc/99/72/28/927997228.db2.gz VGMDDSZBKVNSEJ-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)C1C=CC=CC=C1)C(C)C ZINC001486370017 928012035 /nfs/dbraw/zinc/01/20/35/928012035.db2.gz NWICYANABCMDFK-UHFFFAOYSA-N 1 1 288.435 3.030 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N(CC[N@@H+](C)C(C)C)C(C)C ZINC001486373967 928012833 /nfs/dbraw/zinc/01/28/33/928012833.db2.gz IRVLXBPNUJCTJN-HNNXBMFYSA-N 1 1 268.445 3.166 20 30 CGEDMO CC#CC[N@@H+](C)CCN(C(=O)[C@H]1CCCC[C@@H]1C)C(C)C ZINC001486375015 928014061 /nfs/dbraw/zinc/01/40/61/928014061.db2.gz QSCXPEUTIMUTII-IRXDYDNUSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC1(C(=O)NCC2=CC[N@@H+](CC)CC2)CCCCC1 ZINC001486521195 928029457 /nfs/dbraw/zinc/02/94/57/928029457.db2.gz RQGNVDQKOPVMKP-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C(CC)CC ZINC001230834680 928073711 /nfs/dbraw/zinc/07/37/11/928073711.db2.gz JWSKEAOAHMCIJJ-HOCLYGCPSA-N 1 1 280.456 3.310 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)SC ZINC001230848755 928073950 /nfs/dbraw/zinc/07/39/50/928073950.db2.gz KNXRDWWGVGFOPF-HUUCEWRRSA-N 1 1 298.496 3.017 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)C2(CC)CCC2)C1 ZINC001494841905 928170809 /nfs/dbraw/zinc/17/08/09/928170809.db2.gz BORJSBLNLRVCHB-HOTGVXAUSA-N 1 1 292.467 3.454 20 30 CGEDMO N#CCC1CCC([N@@H+]2CCC(F)(F)[C@@H](F)C2)CC1 ZINC001173330922 928228154 /nfs/dbraw/zinc/22/81/54/928228154.db2.gz HSUZWDLMBKCZPA-MCIGGMRASA-N 1 1 260.303 3.138 20 30 CGEDMO C=CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001488656863 928287283 /nfs/dbraw/zinc/28/72/83/928287283.db2.gz SOYMYGUJTBJVMO-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC1(C(=O)N(C)C[C@H]2CC[N@@H+]2CC(C)C)CCCC1 ZINC001488702958 928296048 /nfs/dbraw/zinc/29/60/48/928296048.db2.gz MLBYWAKQUJNHQI-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)CCC)C1 ZINC001480724067 937236074 /nfs/dbraw/zinc/23/60/74/937236074.db2.gz YFMDNCQNGUUMMS-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)CCC)[C@H]1C ZINC001489242912 928317499 /nfs/dbraw/zinc/31/74/99/928317499.db2.gz RTHLIUBOPMTDDZ-CABCVRRESA-N 1 1 268.445 3.336 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)CCC)C[C@@H]2C1 ZINC001489180164 928317700 /nfs/dbraw/zinc/31/77/00/928317700.db2.gz AAVPDEAMLAALOI-ZACQAIPSSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@@H+](Cc2csc(C)c2)[C@@H]1C ZINC001489255182 928320220 /nfs/dbraw/zinc/32/02/20/928320220.db2.gz DMHBBCCWFKPXBB-HIFRSBDPSA-N 1 1 292.448 3.102 20 30 CGEDMO C[N@@H+](CCCNC(=O)C#CC(C)(C)C)CC1CCCCC1 ZINC001490193606 928335458 /nfs/dbraw/zinc/33/54/58/928335458.db2.gz URDJHIYNKUJZSC-UHFFFAOYSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCCC[N@@H+](C)CCCNC(=O)C1(C)C(C)(C)C1(C)C ZINC001490290939 928339255 /nfs/dbraw/zinc/33/92/55/928339255.db2.gz YDXLNNANJMRXOZ-UHFFFAOYSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCC[N@H+](C)CCCNC(=O)C1C[C@@H](C)C[C@H](C)C1 ZINC001490283869 928340759 /nfs/dbraw/zinc/34/07/59/928340759.db2.gz XBOHMGWMGWPASM-HOTGVXAUSA-N 1 1 294.483 3.463 20 30 CGEDMO C#CCC[N@H+](CC)CCCNC(=O)[C@H]1CCCC[C@@H]1CC ZINC001490351125 928348060 /nfs/dbraw/zinc/34/80/60/928348060.db2.gz COCPMFDVQIYBDU-IRXDYDNUSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)C2CC2)C1 ZINC001490433657 928362312 /nfs/dbraw/zinc/36/23/12/928362312.db2.gz AWTJJXIGQIWLFP-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)/C=C\C(C)(C)C)C1 ZINC001490530585 928367180 /nfs/dbraw/zinc/36/71/80/928367180.db2.gz GYXKZODKHQVVMR-ACVZPDSXSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)CCC2(C)CC2)C1 ZINC001490567728 928371475 /nfs/dbraw/zinc/37/14/75/928371475.db2.gz BXMNSRBMWTVDMD-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](C[C@H](C)CC(C)C)C1 ZINC001490563356 928372731 /nfs/dbraw/zinc/37/27/31/928372731.db2.gz KUXLWQSWHLTLSW-HZPDHXFCSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccoc2C(C)C)C1 ZINC001490580355 928376338 /nfs/dbraw/zinc/37/63/38/928376338.db2.gz XDWZYHQUDHDGTQ-CQSZACIVSA-N 1 1 290.407 3.173 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)/C(C)=C/CC)C1 ZINC001490752104 928384583 /nfs/dbraw/zinc/38/45/83/928384583.db2.gz JSVOFFKQZPPEKB-KGZWWPETSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C)C(C)(C)C)C1 ZINC001490766802 928385348 /nfs/dbraw/zinc/38/53/48/928385348.db2.gz PLICJIAVBMXEIF-HUUCEWRRSA-N 1 1 280.456 3.025 20 30 CGEDMO CC[C@@H](C)[C@H](C)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC001460184633 928740526 /nfs/dbraw/zinc/74/05/26/928740526.db2.gz LIHPYVKODRLMDF-CABCVRRESA-N 1 1 274.408 3.441 20 30 CGEDMO C=CCN(C(=O)[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1 ZINC001468643464 928807813 /nfs/dbraw/zinc/80/78/13/928807813.db2.gz BADSTNZPZVVVGI-HNNXBMFYSA-N 1 1 272.392 3.078 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)C ZINC001490975748 928820944 /nfs/dbraw/zinc/82/09/44/928820944.db2.gz MDFZGCXLGBXVGI-MMNRESRNSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C/C=C(\C)C=C ZINC001491219388 928843973 /nfs/dbraw/zinc/84/39/73/928843973.db2.gz QXAGCFGNKGNXKH-ABPVARSCSA-N 1 1 290.451 3.446 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H]1CCCC[N@@H+]1CC1CC(C)C1 ZINC001491219673 928844400 /nfs/dbraw/zinc/84/44/00/928844400.db2.gz WQJPBVGXWUBRQI-UYSNPLJNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H]1CCCC[N@@H+]1CCCC ZINC001491211181 928845261 /nfs/dbraw/zinc/84/52/61/928845261.db2.gz YOSTWBWVOSIKFW-OAHLLOKOSA-N 1 1 266.429 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)C1(CCC)CC1 ZINC001491226499 928848711 /nfs/dbraw/zinc/84/87/11/928848711.db2.gz VQKQJIHCYBIHRF-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)C)C1 ZINC001491297570 928853170 /nfs/dbraw/zinc/85/31/70/928853170.db2.gz SJZJKFWPHJQGTO-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)C)C1 ZINC001491297574 928853893 /nfs/dbraw/zinc/85/38/93/928853893.db2.gz SJZJKFWPHJQGTO-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[C@H](CC)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001448567167 937376114 /nfs/dbraw/zinc/37/61/14/937376114.db2.gz WNHJJXPXMDKLHS-GOEBONIOSA-N 1 1 278.440 3.254 20 30 CGEDMO C=CCC1(NC(=O)C[N@H+](C)CC(C)(C)C)CCCCC1 ZINC001449610322 937380439 /nfs/dbraw/zinc/38/04/39/937380439.db2.gz REIVLBMHIMTIME-UHFFFAOYSA-N 1 1 280.456 3.360 20 30 CGEDMO CCCCCCCNC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001453875693 937405549 /nfs/dbraw/zinc/40/55/49/937405549.db2.gz NGUCPLXVPVPICX-ZNMIVQPWSA-N 1 1 268.445 3.334 20 30 CGEDMO C#CC[N@H+](CC[C@H]1COC(C)(C)O1)[C@@H]1CCc2ccccc21 ZINC001459341067 937485920 /nfs/dbraw/zinc/48/59/20/937485920.db2.gz AGUQXSQRYJQVJG-FUHWJXTLSA-N 1 1 299.414 3.151 20 30 CGEDMO CC[C@H](C)[N@@H+](CCO[C@@H](C)C#N)CCc1ccccc1F ZINC001459384206 937486865 /nfs/dbraw/zinc/48/68/65/937486865.db2.gz DZDQILLYUBCCKM-GJZGRUSLSA-N 1 1 292.398 3.397 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001459401771 937487871 /nfs/dbraw/zinc/48/78/71/937487871.db2.gz AZOHVOAYLDYILX-GJZGRUSLSA-N 1 1 294.439 3.120 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C)CCCCCCNC(=O)OC(C)(C)C ZINC001459418606 937488336 /nfs/dbraw/zinc/48/83/36/937488336.db2.gz LWLAAHSAKUUDEC-CQSZACIVSA-N 1 1 297.443 3.163 20 30 CGEDMO C=CC[N@@H+](Cc1c[nH]c(=O)c2ccccc12)C1CC1 ZINC001459811508 937501990 /nfs/dbraw/zinc/50/19/90/937501990.db2.gz ATDSIEHGXBJHOJ-UHFFFAOYSA-N 1 1 254.333 3.091 20 30 CGEDMO C[C@H]1CC[N@@H+](CCOc2ccccc2C#N)CC1(C)C ZINC001459922227 937506603 /nfs/dbraw/zinc/50/66/03/937506603.db2.gz HVNJHYKRUHNSDB-AWEZNQCLSA-N 1 1 272.392 3.305 20 30 CGEDMO COC[C@H]1CCCC[N@H+]1Cc1c(C)cc(C#N)cc1C ZINC001460240856 937521976 /nfs/dbraw/zinc/52/19/76/937521976.db2.gz XQHMOTBTEBVFEF-MRXNPFEDSA-N 1 1 272.392 3.176 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCN(C)[C@@H](C(C)(C)C)C1 ZINC001460326545 937526446 /nfs/dbraw/zinc/52/64/46/937526446.db2.gz BJZJRFHHXIHVQJ-GOSISDBHSA-N 1 1 299.462 3.337 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN1CC[N@@H+](C)[C@@H](C(C)(C)C)C1 ZINC001460326545 937526447 /nfs/dbraw/zinc/52/64/47/937526447.db2.gz BJZJRFHHXIHVQJ-GOSISDBHSA-N 1 1 299.462 3.337 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN1CC[N@H+](C)[C@@H](C(C)(C)C)C1 ZINC001460326545 937526448 /nfs/dbraw/zinc/52/64/48/937526448.db2.gz BJZJRFHHXIHVQJ-GOSISDBHSA-N 1 1 299.462 3.337 20 30 CGEDMO C#CCC[N@H+]1CCc2c(ccc(OC)c2OC)[C@@H]1CC ZINC001460344692 937527988 /nfs/dbraw/zinc/52/79/88/937527988.db2.gz QZXIZFATIRBXGK-HNNXBMFYSA-N 1 1 273.376 3.036 20 30 CGEDMO Cc1cccc(C[C@]2(C)CCC[N@@H+]2CCO[C@@H](C)C#N)c1 ZINC001460563663 937535308 /nfs/dbraw/zinc/53/53/08/937535308.db2.gz XNHPETPYQPFZFZ-WMZOPIPTSA-N 1 1 286.419 3.321 20 30 CGEDMO C/C=C/C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC001460559995 937535443 /nfs/dbraw/zinc/53/54/43/937535443.db2.gz YMKZOPHPWWYTPP-KZSQQDEKSA-N 1 1 297.402 3.175 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc([Si](C)(C)C)cc2)C1 ZINC001460755839 937543510 /nfs/dbraw/zinc/54/35/10/937543510.db2.gz DMFLPVWTVYTZOB-OAHLLOKOSA-N 1 1 271.480 3.077 20 30 CGEDMO C[C@@H]1CN([C@H](C#N)c2ccccc2)CC[N@H+]1C1CCCC1 ZINC001460781051 937545091 /nfs/dbraw/zinc/54/50/91/937545091.db2.gz QKXAJTILLOLINZ-CRAIPNDOSA-N 1 1 283.419 3.200 20 30 CGEDMO C#CC[N@H+](CCC(C)(C)O)[C@H]1CCCc2ccccc21 ZINC001460835252 937548227 /nfs/dbraw/zinc/54/82/27/937548227.db2.gz JSMVOKXXZMPKSN-KRWDZBQOSA-N 1 1 271.404 3.160 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001460882176 937550158 /nfs/dbraw/zinc/55/01/58/937550158.db2.gz PQPDLIJXCMAVDW-HUUCEWRRSA-N 1 1 296.455 3.435 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001460882169 937550386 /nfs/dbraw/zinc/55/03/86/937550386.db2.gz PQPDLIJXCMAVDW-CABCVRRESA-N 1 1 296.455 3.435 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CCC(F)(F)F ZINC001329408220 931949935 /nfs/dbraw/zinc/94/99/35/931949935.db2.gz HRPLPRDEPGAMSK-RYUDHWBXSA-N 1 1 294.361 3.120 20 30 CGEDMO N#Cc1ccnc(-c2ccc(C[N@@H+]3CC[C@@H](F)C3)cc2)c1 ZINC001139402223 931952310 /nfs/dbraw/zinc/95/23/10/931952310.db2.gz ORIHMJWFLXCTMW-MRXNPFEDSA-N 1 1 281.334 3.164 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H](C)CC)C1 ZINC001209680892 932008620 /nfs/dbraw/zinc/00/86/20/932008620.db2.gz UCUWNFSXIVWXIE-OUCADQQQSA-N 1 1 286.847 3.002 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H](C)CC)C1 ZINC001209680892 932008624 /nfs/dbraw/zinc/00/86/24/932008624.db2.gz UCUWNFSXIVWXIE-OUCADQQQSA-N 1 1 286.847 3.002 20 30 CGEDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)s2)CCO1 ZINC001460982599 937558013 /nfs/dbraw/zinc/55/80/13/937558013.db2.gz YGDJTXPGYOGIFJ-AWEZNQCLSA-N 1 1 278.421 3.257 20 30 CGEDMO C=CC[NH2+]Cc1oc2ccccc2c1Br ZINC001461009418 937558986 /nfs/dbraw/zinc/55/89/86/937558986.db2.gz JKMKNYXBJYXTIS-UHFFFAOYSA-N 1 1 266.138 3.471 20 30 CGEDMO N#CC[C@H](Oc1ccc(C(=[NH2+])NO)c(F)c1)c1ccccc1 ZINC001229083284 932090453 /nfs/dbraw/zinc/09/04/53/932090453.db2.gz PNVUKCVCXFMMMQ-HNNXBMFYSA-N 1 1 299.305 3.164 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1cc2cc(Cl)cnc2o1 ZINC001461232928 937571155 /nfs/dbraw/zinc/57/11/55/937571155.db2.gz SIRCRQFZNADATA-UHFFFAOYSA-N 1 1 257.120 3.323 20 30 CGEDMO N#Cc1ccc(CNC[C@H]2CC[N@@H+]2C2CCCCCC2)cc1 ZINC001461697928 937592766 /nfs/dbraw/zinc/59/27/66/937592766.db2.gz CEZQJBSPYWOLFU-LJQANCHMSA-N 1 1 297.446 3.445 20 30 CGEDMO N#Cc1ccc(CNC[C@H]2CC[N@H+]2C2CCCCCC2)cc1 ZINC001461697928 937592767 /nfs/dbraw/zinc/59/27/67/937592767.db2.gz CEZQJBSPYWOLFU-LJQANCHMSA-N 1 1 297.446 3.445 20 30 CGEDMO C[C@@H](C#N)C[NH2+]Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC001461817122 937599033 /nfs/dbraw/zinc/59/90/33/937599033.db2.gz NCVKTRKMPRZQDE-LBPRGKRZSA-N 1 1 289.379 3.283 20 30 CGEDMO C=C[C@H](C#CC(C)(C)C)Oc1ccc2[nH+]c(N)[nH]c2c1 ZINC001230517963 932583001 /nfs/dbraw/zinc/58/30/01/932583001.db2.gz JHSFMDZZPGVOLW-LLVKDONJSA-N 1 1 269.348 3.128 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)/C(C)=C\CC)CC1 ZINC001230531292 932583655 /nfs/dbraw/zinc/58/36/55/932583655.db2.gz ZKHFYDCHBGAZJZ-OLMDTSMNSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C)CCC)CC1 ZINC001230541434 932585326 /nfs/dbraw/zinc/58/53/26/932585326.db2.gz NXUHJBDKHPUGHF-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](CCc2ccc(C)c(C)c2)C1 ZINC001461997259 937611678 /nfs/dbraw/zinc/61/16/78/937611678.db2.gz GVKOMSMTCVCFRF-KRWDZBQOSA-N 1 1 259.393 3.123 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1sccc1C ZINC001230588690 932594781 /nfs/dbraw/zinc/59/47/81/932594781.db2.gz RKLUJWXMUFSBRH-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO CC(C)(C)c1cccc(C#N)c1O[C@H]1CCc2[nH+]ccn2C1 ZINC001230637609 932602702 /nfs/dbraw/zinc/60/27/02/932602702.db2.gz ZBQMQCCZOLICON-AWEZNQCLSA-N 1 1 295.386 3.446 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CCCCC ZINC001230776492 932622991 /nfs/dbraw/zinc/62/29/91/932622991.db2.gz SWSJWYRITKHZMA-HOTGVXAUSA-N 1 1 280.456 3.454 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CSCCC ZINC001230923311 932643319 /nfs/dbraw/zinc/64/33/19/932643319.db2.gz BQKXNMAWWFNLLT-CABCVRRESA-N 1 1 298.496 3.017 20 30 CGEDMO C=CCc1cccc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001231015496 932658834 /nfs/dbraw/zinc/65/88/34/932658834.db2.gz PJZJIETZAKUOAB-SCAQPMJSSA-N 1 1 257.377 3.419 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC1CCCCCC1 ZINC001316601473 932744599 /nfs/dbraw/zinc/74/45/99/932744599.db2.gz OOJJKEWSRFOGLM-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCCC1 ZINC001316605228 932746409 /nfs/dbraw/zinc/74/64/09/932746409.db2.gz IXYLHSNFZMJDDU-WMZOPIPTSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CC[N@H+](C)CCN(C(=O)[C@H]1CCCC[C@H]1CC)C(C)C ZINC001332736115 932753480 /nfs/dbraw/zinc/75/34/80/932753480.db2.gz WDSRGNLXYYHGOG-SJORKVTESA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)C2(CC)CC2)C1 ZINC001491947534 932797912 /nfs/dbraw/zinc/79/79/12/932797912.db2.gz WKPWNZWVTWUOJI-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[N@H+](C)[C@@H](C)c1cccc(F)c1 ZINC001492373260 932816080 /nfs/dbraw/zinc/81/60/80/932816080.db2.gz FZVBRKSRTGEREQ-ZDUSSCGKSA-N 1 1 292.398 3.147 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@H](C)[NH2+]C/C(Cl)=C/Cl ZINC001317271071 932825120 /nfs/dbraw/zinc/82/51/20/932825120.db2.gz LRAOORYNORFMDP-QBQSQJOESA-N 1 1 293.238 3.002 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)CC(C)C)[C@H]1CC ZINC001316739097 932872453 /nfs/dbraw/zinc/87/24/53/932872453.db2.gz LZCKRHUSVBPYEE-JKSUJKDBSA-N 1 1 292.467 3.051 20 30 CGEDMO C[N@H+]1CCC[C@@H]1CSc1c(Cl)cccc1C#N ZINC001307390126 932945972 /nfs/dbraw/zinc/94/59/72/932945972.db2.gz MRDBFFIYFJMJFZ-LLVKDONJSA-N 1 1 266.797 3.398 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](CCO)CC(C)(C)C ZINC001307462575 932955685 /nfs/dbraw/zinc/95/56/85/932955685.db2.gz MMBYRWRYPDHNHI-UHFFFAOYSA-N 1 1 274.408 3.016 20 30 CGEDMO CC(C)[N@@H+](C[C@H](O)c1cccc(C#N)c1)C1CCCC1 ZINC001307529420 932966955 /nfs/dbraw/zinc/96/69/55/932966955.db2.gz OLJMCVDVXJHFHJ-KRWDZBQOSA-N 1 1 272.392 3.245 20 30 CGEDMO C=CCN(C)CC[N@@H+](CC)CCCC1CCCC1 ZINC001307729329 932992454 /nfs/dbraw/zinc/99/24/54/932992454.db2.gz KFOPPUFPHOLGNN-UHFFFAOYSA-N 1 1 252.446 3.397 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC001307897745 933017025 /nfs/dbraw/zinc/01/70/25/933017025.db2.gz UJZHTUUWKDUVSZ-UHFFFAOYSA-N 1 1 262.397 3.029 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC001308067447 933042609 /nfs/dbraw/zinc/04/26/09/933042609.db2.gz HJMMORHVGMLIJA-OAHLLOKOSA-N 1 1 257.764 3.037 20 30 CGEDMO C[C@]12C[N@@H+](CCOc3ccccc3C#N)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001308119982 933053251 /nfs/dbraw/zinc/05/32/51/933053251.db2.gz SITGVELOTBEDNG-LKCYJCQHSA-N 1 1 294.398 3.081 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCCC[C@H]1Cc1ccc(O)cc1 ZINC001308149336 933058569 /nfs/dbraw/zinc/05/85/69/933058569.db2.gz KVUFZUSZRAWXSM-WMZOPIPTSA-N 1 1 289.419 3.116 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@H]1[C@@H]1CCCO1 ZINC001308162507 933060854 /nfs/dbraw/zinc/06/08/54/933060854.db2.gz VPOKPHQUGKYCAG-ROUUACIJSA-N 1 1 284.403 3.400 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCCO1 ZINC001308159076 933062137 /nfs/dbraw/zinc/06/21/37/933062137.db2.gz GXCKIIMRYHAKIC-IAGOWNOFSA-N 1 1 288.366 3.231 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCCC[C@@H]1[C@H]1CCCO1 ZINC001308159076 933062149 /nfs/dbraw/zinc/06/21/49/933062149.db2.gz GXCKIIMRYHAKIC-IAGOWNOFSA-N 1 1 288.366 3.231 20 30 CGEDMO CCCCCCCC[N@@H+]1CCn2c(C)nnc2[C@@H]1C ZINC001308178524 933067160 /nfs/dbraw/zinc/06/71/60/933067160.db2.gz UXGOJPCALWOAET-ZDUSSCGKSA-N 1 1 264.417 3.324 20 30 CGEDMO CCCCCCCC[N@H+]1CCn2c(C)nnc2[C@@H]1C ZINC001308178524 933067162 /nfs/dbraw/zinc/06/71/62/933067162.db2.gz UXGOJPCALWOAET-ZDUSSCGKSA-N 1 1 264.417 3.324 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1cnc2c(F)cccc2c1 ZINC001308283266 933088181 /nfs/dbraw/zinc/08/81/81/933088181.db2.gz SYBXGGBBZPNYAL-UHFFFAOYSA-N 1 1 250.704 3.216 20 30 CGEDMO Cn1c2ccccc2[nH+]c1NCc1cccc(F)c1C#N ZINC001462689293 937659517 /nfs/dbraw/zinc/65/95/17/937659517.db2.gz KSXHLZWXUXXQPZ-UHFFFAOYSA-N 1 1 280.306 3.196 20 30 CGEDMO CC(C)[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2N(C)C)C1 ZINC001308694404 933160129 /nfs/dbraw/zinc/16/01/29/933160129.db2.gz IQNFXOWPZKVJSQ-MRXNPFEDSA-N 1 1 285.435 3.492 20 30 CGEDMO CC(C)[C@@H]1[N@@H+](Cc2cc(C#N)ccc2N(C)C)CC1(C)C ZINC001308790258 933177885 /nfs/dbraw/zinc/17/78/85/933177885.db2.gz HPYHNIUODNCSMZ-KRWDZBQOSA-N 1 1 285.435 3.491 20 30 CGEDMO C#CC[N@H+](Cc1ccc2nc(C)ccc2c1)C1CSC1 ZINC001308907863 933200366 /nfs/dbraw/zinc/20/03/66/933200366.db2.gz RUFOGYXEMAGQSF-UHFFFAOYSA-N 1 1 282.412 3.094 20 30 CGEDMO C=CCCC(=O)NCC[N@H+](CC)Cc1ccc(C)cc1C ZINC001317475841 933226255 /nfs/dbraw/zinc/22/62/55/933226255.db2.gz CMXPKUVVMKETGG-UHFFFAOYSA-N 1 1 288.435 3.208 20 30 CGEDMO CCCCC[N@@H+](C)C[C@H]1CCCN1C(=O)C#CC(C)(C)C ZINC001328720782 933463036 /nfs/dbraw/zinc/46/30/36/933463036.db2.gz PYGLKIWBNLGUDY-MRXNPFEDSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@H+](CC(C)C)[C@@H]2C)CCCC1 ZINC001316800683 933464990 /nfs/dbraw/zinc/46/49/90/933464990.db2.gz GZSIJAZQYMVQRE-CVEARBPZSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C1CCC1 ZINC001316801357 933482032 /nfs/dbraw/zinc/48/20/32/933482032.db2.gz PKQCELYGHFPZQR-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](F)C(C)C)CC(C)(C)C1 ZINC001316810379 933485560 /nfs/dbraw/zinc/48/55/60/933485560.db2.gz GUUVFUKEHJTUSR-GJZGRUSLSA-N 1 1 298.446 3.163 20 30 CGEDMO C=C(C)C[N@@H+](C)CCCNC(=O)c1cc(C)c(F)c(C)c1 ZINC001316867917 933487081 /nfs/dbraw/zinc/48/70/81/933487081.db2.gz AGRSAZDRADEOOM-UHFFFAOYSA-N 1 1 292.398 3.070 20 30 CGEDMO C#CCC[N@H+](C)CCCNC(=O)C[C@@H](C)C1CCCCC1 ZINC001316854657 933488501 /nfs/dbraw/zinc/48/85/01/933488501.db2.gz SFZSAAOOOJOUTF-MRXNPFEDSA-N 1 1 292.467 3.054 20 30 CGEDMO C=C(C)C[N@@H+](CCCNC(=O)C1CCC=CCC1)C1CC1 ZINC001316927029 933497559 /nfs/dbraw/zinc/49/75/59/933497559.db2.gz JJBHLMNOIXEHPS-UHFFFAOYSA-N 1 1 290.451 3.280 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)c2ccco2)C1 ZINC001316968263 933501281 /nfs/dbraw/zinc/50/12/81/933501281.db2.gz CGPJWRBHIJYYFE-AWEZNQCLSA-N 1 1 278.396 3.054 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001316955539 933501361 /nfs/dbraw/zinc/50/13/61/933501361.db2.gz SVXPKIPRVQVJPF-BRWVUGGUSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](NC(=O)C2CC=CC2)C1 ZINC001316972998 933503587 /nfs/dbraw/zinc/50/35/87/933503587.db2.gz FKWXZIWCYQTLND-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)CC)C1 ZINC001317036991 933518046 /nfs/dbraw/zinc/51/80/46/933518046.db2.gz ZMUFZGPNFGOSHG-CVEARBPZSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)CCC2CCCC2)C1 ZINC001317131621 933536646 /nfs/dbraw/zinc/53/66/46/933536646.db2.gz DCLXGNQYRNFVTK-KRWDZBQOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)C=C(C)C)C1 ZINC001317134040 933536658 /nfs/dbraw/zinc/53/66/58/933536658.db2.gz SIEMFGACBVUCEY-HZPDHXFCSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2(C)CC(=C)C2)C1 ZINC001317209221 933553466 /nfs/dbraw/zinc/55/34/66/933553466.db2.gz OBISTYOUTWMJCF-JKSUJKDBSA-N 1 1 290.451 3.136 20 30 CGEDMO C#CCCCCCC(=O)N[C@H](C)[C@H]1CCC[N@H+](CCC)C1 ZINC001317210836 933553920 /nfs/dbraw/zinc/55/39/20/933553920.db2.gz VFOXIRZCHYKTDO-SJORKVTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)C[C@@H](C)SC)C1 ZINC001317374096 933580254 /nfs/dbraw/zinc/58/02/54/933580254.db2.gz SYGBWEGHJPYBPO-CABCVRRESA-N 1 1 298.496 3.017 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@]2(C)C=CCC2)C1 ZINC001317377743 933581075 /nfs/dbraw/zinc/58/10/75/933581075.db2.gz DXVGCNWSKOIQEI-SJLPKXTDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)CCC(C)C ZINC001317420104 933592078 /nfs/dbraw/zinc/59/20/78/933592078.db2.gz MYYPIYJLQUQTFV-MRXNPFEDSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)CC1CC(C)(C)C1 ZINC001317485344 933603106 /nfs/dbraw/zinc/60/31/06/933603106.db2.gz YROPWLNVWZXLJL-UHFFFAOYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)c1cccs1 ZINC001317511235 933607003 /nfs/dbraw/zinc/60/70/03/933607003.db2.gz XBWKZKTVAOCQOH-UONOGXRCSA-N 1 1 292.448 3.008 20 30 CGEDMO C#CCC[N@@H+](CCC)CCNC(=O)[C@@H](C)[C@H](C)C(C)(C)C ZINC001317544656 933615801 /nfs/dbraw/zinc/61/58/01/933615801.db2.gz QWDFIHAZXHGYCI-HOTGVXAUSA-N 1 1 294.483 3.156 20 30 CGEDMO C#CCC[N@H+](CCNC(=O)C[C@@H](C)CC(C)(C)C)C1CC1 ZINC001317557832 933620393 /nfs/dbraw/zinc/62/03/93/933620393.db2.gz AMLZCDRLTSQWCU-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)C(C)=C2CCCC2)C1 ZINC001317753221 933642654 /nfs/dbraw/zinc/64/26/54/933642654.db2.gz CFYHUDIOYSOBNP-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCC(C)(C)C(=O)NCC[C@@H]1CC[N@H+](C[C@H](F)CC)C1 ZINC001317801651 933651772 /nfs/dbraw/zinc/65/17/72/933651772.db2.gz DSZMMPBOEULNBI-HUUCEWRRSA-N 1 1 298.446 3.165 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@](C)(CC)CCC)C1 ZINC001317804942 933652463 /nfs/dbraw/zinc/65/24/63/933652463.db2.gz GONGXKWUFQSDRR-WBVHZDCISA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)C[C@@H](C)C2CC2)C1 ZINC001317811510 933654759 /nfs/dbraw/zinc/65/47/59/933654759.db2.gz NNJKLKIUIBABQB-CVEARBPZSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@H+](C)CC1CCN(C(=O)[C@@H](C)CCC)CC1 ZINC001317868767 933660629 /nfs/dbraw/zinc/66/06/29/933660629.db2.gz KPRSDAYLNSTEDI-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)c2coc(C)c2)C1 ZINC001317964869 933669205 /nfs/dbraw/zinc/66/92/05/933669205.db2.gz XEDWLLOPHXUDGB-BBRMVZONSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H](C)Cc1ccc(OC)cc1 ZINC001318104010 933685853 /nfs/dbraw/zinc/68/58/53/933685853.db2.gz NFWJOIIEAULQEL-GFCCVEGCSA-N 1 1 253.773 3.311 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)CCC ZINC001318190666 933691800 /nfs/dbraw/zinc/69/18/00/933691800.db2.gz OOORIGGFAWJHDG-PMPSAXMXSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](CC)c1ccccc1 ZINC001318223726 933699115 /nfs/dbraw/zinc/69/91/15/933699115.db2.gz JKRMVTPCNDCRKL-SZMVWBNQSA-N 1 1 298.430 3.041 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](CC)c1ccccc1 ZINC001318223726 933699118 /nfs/dbraw/zinc/69/91/18/933699118.db2.gz JKRMVTPCNDCRKL-SZMVWBNQSA-N 1 1 298.430 3.041 20 30 CGEDMO C=C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C(C)C)c1ccccc1 ZINC001318228940 933699311 /nfs/dbraw/zinc/69/93/11/933699311.db2.gz WQMFZCDICFKELD-SZMVWBNQSA-N 1 1 298.430 3.040 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)C2CCCCC2)C1 ZINC001318382408 933716875 /nfs/dbraw/zinc/71/68/75/933716875.db2.gz WKEQLJGJZYKBKM-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCCC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001318423310 933724227 /nfs/dbraw/zinc/72/42/27/933724227.db2.gz DSZOHCNFOWRGDB-HNNXBMFYSA-N 1 1 292.448 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)CC(CC)CC)C1 ZINC001318440460 933727370 /nfs/dbraw/zinc/72/73/70/933727370.db2.gz BCWRHSFFUGYHMX-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO CC1(C)C[N@H+](Cc2cn3ccccc3c2C#N)C1(C)C ZINC001319107674 933826531 /nfs/dbraw/zinc/82/65/31/933826531.db2.gz XHQCMVKTSOUJKC-UHFFFAOYSA-N 1 1 267.376 3.431 20 30 CGEDMO CC1(C)C[N@@H+](Cc2cn3ccccc3c2C#N)C1(C)C ZINC001319107674 933826534 /nfs/dbraw/zinc/82/65/34/933826534.db2.gz XHQCMVKTSOUJKC-UHFFFAOYSA-N 1 1 267.376 3.431 20 30 CGEDMO C=C(C)c1cccc(NC(=O)NC[C@H]2CCC[N@@H+]2CC)c1 ZINC001467475251 937718367 /nfs/dbraw/zinc/71/83/67/937718367.db2.gz KGQFWIBCQWSFKW-MRXNPFEDSA-N 1 1 287.407 3.326 20 30 CGEDMO C=CCCCC(=O)N1CCC2(CC[N@H+](CCCC)C2)CC1 ZINC001319144656 933832112 /nfs/dbraw/zinc/83/21/12/933832112.db2.gz IZHYVWABEMQNAS-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO CCCCCCCC[N@H+]1CCC[C@@H](C(=O)NC2CC2)C1 ZINC001319325119 933856383 /nfs/dbraw/zinc/85/63/83/933856383.db2.gz RKOXKOCTSVHAMK-OAHLLOKOSA-N 1 1 280.456 3.338 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)NC[C@H]1CC[N@H+](CCC)C1 ZINC001468247493 937726045 /nfs/dbraw/zinc/72/60/45/937726045.db2.gz GAIHSQBDSCBFLG-OAHLLOKOSA-N 1 1 295.471 3.010 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@@H]1CC[C@H](SC)C1 ZINC001319646684 933907422 /nfs/dbraw/zinc/90/74/22/933907422.db2.gz PBIAVGIKLXFWED-CABCVRRESA-N 1 1 290.432 3.283 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C(=O)OC(C)C)cc1)CC1CC1 ZINC001319666941 933911146 /nfs/dbraw/zinc/91/11/46/933911146.db2.gz QZCRYWJJVIUIBL-UHFFFAOYSA-N 1 1 285.387 3.097 20 30 CGEDMO C[C@H](N[C@@H]1CCCC[C@H]1[NH+](C)C)c1cccc(C#N)c1 ZINC001319837770 933942122 /nfs/dbraw/zinc/94/21/22/933942122.db2.gz VFGWGBMHOPLVTE-IAOVAPTHSA-N 1 1 271.408 3.082 20 30 CGEDMO C=CCCC(=O)N1CCC(CC[N@H+](C)C/C=C\Cl)CC1 ZINC001319875144 933947690 /nfs/dbraw/zinc/94/76/90/933947690.db2.gz MLZOWMHVAIMGFR-YHYXMXQVSA-N 1 1 298.858 3.266 20 30 CGEDMO C#CCC[N@H+](C)CCN(C)C(=O)CCCCC(C)(C)C ZINC001320000660 933977110 /nfs/dbraw/zinc/97/71/10/933977110.db2.gz XQPQOECFCHLGLA-UHFFFAOYSA-N 1 1 280.456 3.006 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)C(C)(C)C(F)F ZINC001320041329 933986554 /nfs/dbraw/zinc/98/65/54/933986554.db2.gz DUONKAJTSWIYLO-GFCCVEGCSA-N 1 1 290.398 3.023 20 30 CGEDMO C[C@H](N[C@@H]1CCCC[C@@H]1[NH+](C)C)c1ccc(C#N)cc1 ZINC001320070443 933992199 /nfs/dbraw/zinc/99/21/99/933992199.db2.gz JPIGNOVFVKTPIS-XKQJLSEDSA-N 1 1 271.408 3.082 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC001320086340 933994705 /nfs/dbraw/zinc/99/47/05/933994705.db2.gz LRZPSRQCWQXVAN-CYBMUJFWSA-N 1 1 269.747 3.256 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC001320086340 933994712 /nfs/dbraw/zinc/99/47/12/933994712.db2.gz LRZPSRQCWQXVAN-CYBMUJFWSA-N 1 1 269.747 3.256 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](CCOc2cccc3ccccc32)C1 ZINC001320322492 934031834 /nfs/dbraw/zinc/03/18/34/934031834.db2.gz WYYLZCRDNBIFRU-QGZVFWFLSA-N 1 1 297.398 3.496 20 30 CGEDMO C#CC[N@H+](Cc1ccc(Cl)c(F)c1)CC1CC1 ZINC001320603184 934070665 /nfs/dbraw/zinc/07/06/65/934070665.db2.gz IQHWXENMPFQJLS-UHFFFAOYSA-N 1 1 251.732 3.324 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2coc(-c3ccc(C)cc3)n2)C1 ZINC001320899196 934119246 /nfs/dbraw/zinc/11/92/46/934119246.db2.gz QOUNMWITEGWJNU-KRWDZBQOSA-N 1 1 298.386 3.427 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2coc(-c3ccc(C)cc3)n2)C1 ZINC001320899196 934119250 /nfs/dbraw/zinc/11/92/50/934119250.db2.gz QOUNMWITEGWJNU-KRWDZBQOSA-N 1 1 298.386 3.427 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001321515928 934191968 /nfs/dbraw/zinc/19/19/68/934191968.db2.gz SRLPFRYYGYHWRY-ULQDDVLXSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)C1CC1 ZINC001322221776 934258488 /nfs/dbraw/zinc/25/84/88/934258488.db2.gz BKVWOBYNZNCYRI-ZIAGYGMSSA-N 1 1 280.456 3.214 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC001322246882 934262873 /nfs/dbraw/zinc/26/28/73/934262873.db2.gz BAENAKJHGZHHOC-MWDXBVQZSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)c1ccc(C)o1 ZINC001322259449 934265571 /nfs/dbraw/zinc/26/55/71/934265571.db2.gz XJJWANDISOUTDK-HIFRSBDPSA-N 1 1 292.423 3.094 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)C12CCC(CC1)CC2 ZINC001322299470 934273593 /nfs/dbraw/zinc/27/35/93/934273593.db2.gz UXZNYUPREBUBDK-KLHKWILBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)C=C(CC)CC ZINC001323215744 934373440 /nfs/dbraw/zinc/37/34/40/934373440.db2.gz ZOPINWDSMYNIMX-HOCLYGCPSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CC[N@@H+]2CC/C=C/CC)CCC1 ZINC001323300685 934381219 /nfs/dbraw/zinc/38/12/19/934381219.db2.gz BIIWTJQABYNOSR-SQRWCISFSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC001323726505 934422763 /nfs/dbraw/zinc/42/27/63/934422763.db2.gz ATCYXPINWHWDSJ-AWEZNQCLSA-N 1 1 296.208 3.226 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccc(Br)cc2)C1 ZINC001323726505 934422765 /nfs/dbraw/zinc/42/27/65/934422765.db2.gz ATCYXPINWHWDSJ-AWEZNQCLSA-N 1 1 296.208 3.226 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cccn2CCC(C)C)C1 ZINC001323786630 934426089 /nfs/dbraw/zinc/42/60/89/934426089.db2.gz XJZQWXGVXZVANK-KRWDZBQOSA-N 1 1 276.424 3.311 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@H](C)CC)C2)C1 ZINC001323800645 934426767 /nfs/dbraw/zinc/42/67/67/934426767.db2.gz AYMRZJNPMPUHIJ-AEFFLSMTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)CCCC)C2)C1 ZINC001323846238 934431037 /nfs/dbraw/zinc/43/10/37/934431037.db2.gz HYDPRYDPFPWMFN-SJLPKXTDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)C[C@@H](C=C)CC)C2)C1 ZINC001323860454 934433041 /nfs/dbraw/zinc/43/30/41/934433041.db2.gz RSYXRTIYAWTUCN-WMZOPIPTSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@H](CC)C(C)C)C2)C1 ZINC001323873203 934434319 /nfs/dbraw/zinc/43/43/19/934434319.db2.gz OAULTPTYEWOIHF-SJLPKXTDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)C[C@H]2CC=CCC2)C1 ZINC001324642508 934537181 /nfs/dbraw/zinc/53/71/81/934537181.db2.gz XBAHYJUHNZLLAK-FUHWJXTLSA-N 1 1 290.451 3.280 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](CC)CCCCC)C1 ZINC001324674478 934545992 /nfs/dbraw/zinc/54/59/92/934545992.db2.gz QIRFMYPFQHQQCP-SJLPKXTDSA-N 1 1 292.467 3.197 20 30 CGEDMO CCC[N@@H+](CC)C[C@H](C)Nc1cc(C#N)sc1[N+](=O)[O-] ZINC001472799172 937784414 /nfs/dbraw/zinc/78/44/14/937784414.db2.gz LMFUVTUNVYRGHN-JTQLQIEISA-N 1 1 296.396 3.060 20 30 CGEDMO C=CC[N@H+](CCc1ccc2c(c1)OC(F)(F)O2)C(C)C ZINC001473126639 937793841 /nfs/dbraw/zinc/79/38/41/937793841.db2.gz VTTOYJQXWYFOKH-UHFFFAOYSA-N 1 1 283.318 3.447 20 30 CGEDMO CC[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H]1C ZINC001473402816 937804764 /nfs/dbraw/zinc/80/47/64/937804764.db2.gz MZUOWPXBLZCRMW-DGCLKSJQSA-N 1 1 273.336 3.087 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1C)[C@@H](C)C(=O)OCC ZINC001473441265 937807190 /nfs/dbraw/zinc/80/71/90/937807190.db2.gz PYAQABRIIDINQX-AWEZNQCLSA-N 1 1 288.391 3.030 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1C)[C@@H](C)C(=O)OCC ZINC001473441265 937807191 /nfs/dbraw/zinc/80/71/91/937807191.db2.gz PYAQABRIIDINQX-AWEZNQCLSA-N 1 1 288.391 3.030 20 30 CGEDMO C#CC[N@@H+](CC1CC1)[C@H](CCOC)c1ccccc1 ZINC001325223548 934895227 /nfs/dbraw/zinc/89/52/27/934895227.db2.gz XYMQELZCAGMNRN-QGZVFWFLSA-N 1 1 257.377 3.109 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(-c2ncco2)cc1F)CC1CC1 ZINC001325221688 934895555 /nfs/dbraw/zinc/89/55/55/934895555.db2.gz GAXCANMOYPIWOQ-UHFFFAOYSA-N 1 1 284.334 3.326 20 30 CGEDMO C#CC[N@H+](Cc1ccc(-c2ncco2)cc1F)CC1CC1 ZINC001325221688 934895560 /nfs/dbraw/zinc/89/55/60/934895560.db2.gz GAXCANMOYPIWOQ-UHFFFAOYSA-N 1 1 284.334 3.326 20 30 CGEDMO C=CCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC001325325093 934904484 /nfs/dbraw/zinc/90/44/84/934904484.db2.gz BZMZXZOQQDLCBY-BZSNNMDCSA-N 1 1 298.430 3.122 20 30 CGEDMO C=C[C@@H](COC)[NH2+]Cc1sc(C)cc1Br ZINC001325324568 934904623 /nfs/dbraw/zinc/90/46/23/934904623.db2.gz BYLXTNFOZCXJQE-VIFPVBQESA-N 1 1 290.226 3.110 20 30 CGEDMO C[C@H](CNc1cccc(CC#N)n1)[N@@H+](C)Cc1ccccc1 ZINC001325709788 934923868 /nfs/dbraw/zinc/92/38/68/934923868.db2.gz GNHMYXBIOARCFJ-OAHLLOKOSA-N 1 1 294.402 3.080 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](CC(C)C)C(=O)OCC ZINC001473663779 937816719 /nfs/dbraw/zinc/81/67/19/937816719.db2.gz SWLGUNJYFDSBFA-ZNMIVQPWSA-N 1 1 265.397 3.147 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C[C@H](C)CC)CC1 ZINC001327117203 935031465 /nfs/dbraw/zinc/03/14/65/935031465.db2.gz YLSWRIXHPGSCDW-TZMCWYRMSA-N 1 1 286.847 3.146 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)C(C)(C)C)CC1 ZINC001327131956 935034256 /nfs/dbraw/zinc/03/42/56/935034256.db2.gz WDOWPMSMAVYWJQ-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](CCCC)C(C)C)CC1 ZINC001327172570 935040430 /nfs/dbraw/zinc/04/04/30/935040430.db2.gz LAPZAFDVBPHRNY-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)C1(F)CCCC1 ZINC001327230551 935047271 /nfs/dbraw/zinc/04/72/71/935047271.db2.gz VTYBSVLJOOVZHU-UHFFFAOYSA-N 1 1 284.419 3.015 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC001327838607 935087827 /nfs/dbraw/zinc/08/78/27/935087827.db2.gz APXOEZOYMZJKCK-QFBILLFUSA-N 1 1 299.414 3.090 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)CC(C)C)C(C)(C)C1 ZINC001328099380 935117441 /nfs/dbraw/zinc/11/74/41/935117441.db2.gz UVDKOMWLWBPTLB-HOTGVXAUSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C/C(C)=C/CC(=O)N[C@@H]1CC[N@H+](CC(=C)Cl)[C@H](C)C1 ZINC001328269445 935126756 /nfs/dbraw/zinc/12/67/56/935126756.db2.gz XWTGXAIEFOXOOY-QQMNEEJDSA-N 1 1 296.842 3.230 20 30 CGEDMO C=C/C(C)=C/CC(=O)N[C@@H]1CC[N@@H+](CC(=C)Cl)[C@H](C)C1 ZINC001328269445 935126758 /nfs/dbraw/zinc/12/67/58/935126758.db2.gz XWTGXAIEFOXOOY-QQMNEEJDSA-N 1 1 296.842 3.230 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1CC[N@H+](CC/C=C\CC)[C@H](C)C1 ZINC001328240620 935127193 /nfs/dbraw/zinc/12/71/93/935127193.db2.gz PVNUPPPGJNERAE-QXUXXFOKSA-N 1 1 290.451 3.115 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@H+](CCCC)[C@@H](C)C1 ZINC001328276207 935128201 /nfs/dbraw/zinc/12/82/01/935128201.db2.gz AGGPPQOAHSFNLY-GJZGRUSLSA-N 1 1 266.429 3.112 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)C(=C)C ZINC001328752463 935166889 /nfs/dbraw/zinc/16/68/89/935166889.db2.gz IABUFWQJNWTWMG-HNNXBMFYSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)CCC1(C)CC1 ZINC001328780860 935169114 /nfs/dbraw/zinc/16/91/14/935169114.db2.gz OVANWVGLKZIEMR-CQSZACIVSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)CCC1(C)CC1 ZINC001328780860 935169116 /nfs/dbraw/zinc/16/91/16/935169116.db2.gz OVANWVGLKZIEMR-CQSZACIVSA-N 1 1 298.858 3.242 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1ccccc1F ZINC001329376432 935210388 /nfs/dbraw/zinc/21/03/88/935210388.db2.gz QTGTZCUYPSEXLD-KBPBESRZSA-N 1 1 292.398 3.231 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)CNC(=O)c1ccccc1C(C)(C)C ZINC001329468050 935217958 /nfs/dbraw/zinc/21/79/58/935217958.db2.gz BGKXDTQZLOSZNL-AWEZNQCLSA-N 1 1 288.435 3.220 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)C[C@@H]1C=CCCC1 ZINC001329476310 935219096 /nfs/dbraw/zinc/21/90/96/935219096.db2.gz YZMWORFNQCYPMK-HZPDHXFCSA-N 1 1 278.440 3.136 20 30 CGEDMO C#CC[N@H+](CC#Cc1ccccc1Cl)CC1CC1 ZINC001329710794 935240287 /nfs/dbraw/zinc/24/02/87/935240287.db2.gz OGXWMPPDHRXCFQ-UHFFFAOYSA-N 1 1 257.764 3.037 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1C[N@H+](C[C@H](C)CC)CC1(C)C ZINC001330204732 935276606 /nfs/dbraw/zinc/27/66/06/935276606.db2.gz WFUKASYFCAQNFH-CABCVRRESA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)CC(C)C)C(C)(C)C1 ZINC001330243472 935279773 /nfs/dbraw/zinc/27/97/73/935279773.db2.gz GMBICQQQSALKTO-HZPDHXFCSA-N 1 1 294.483 3.461 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3CC[C@@H]4OCCC[C@H]4C3)cc2)CC1 ZINC001330235768 935279842 /nfs/dbraw/zinc/27/98/42/935279842.db2.gz AXBPMLHSKMTLNN-WMZOPIPTSA-N 1 1 296.414 3.243 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)/C(C)=C/C)C2)C1 ZINC001330490134 935290752 /nfs/dbraw/zinc/29/07/52/935290752.db2.gz YHXGINMHIJITTF-KBHCHJSJSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CCc2cc(C(C)(C)C)ccc2C1 ZINC001330551978 935296263 /nfs/dbraw/zinc/29/62/63/935296263.db2.gz ZYMGHRZSEOTHOU-KRWDZBQOSA-N 1 1 273.420 3.279 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)C2CCC2)CC1 ZINC001330990183 935340205 /nfs/dbraw/zinc/34/02/05/935340205.db2.gz JFVRONPSKYAOPJ-AWEZNQCLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)CC[N@H+](C)C1CCN(C(=O)[C@H]2CC[C@H](F)C2)CC1 ZINC001331038720 935344513 /nfs/dbraw/zinc/34/45/13/935344513.db2.gz IKIURAHZTTYOGG-GJZGRUSLSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)[C@H]2CCCC[C@@H]2C)CC1 ZINC001331038480 935345093 /nfs/dbraw/zinc/34/50/93/935345093.db2.gz HGFALLHQDJBBIS-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC(=O)N[C@]12CCC[C@@H]1[N@@H+](CC1CCCC1)CC2 ZINC001332083089 935438278 /nfs/dbraw/zinc/43/82/78/935438278.db2.gz QXSIWOTWLBVKOY-WMZOPIPTSA-N 1 1 290.451 3.256 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)CC)[C@@H]1C ZINC001332198342 935447992 /nfs/dbraw/zinc/44/79/92/935447992.db2.gz JFXFFBZJHNLWGT-GJZGRUSLSA-N 1 1 280.456 3.358 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CCCCCC(C)C)[C@@H]1C ZINC001332205994 935449118 /nfs/dbraw/zinc/44/91/18/935449118.db2.gz MLAVHMXGARAANP-IRXDYDNUSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CCC[N@H+](CC(C)C)[C@H]2C)CCC1 ZINC001332199661 935449277 /nfs/dbraw/zinc/44/92/77/935449277.db2.gz QYQNPSSCHZVNIO-JKSUJKDBSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C(=O)[C@H]1CC[C@H](F)C1)C(C)C ZINC001332723642 935485373 /nfs/dbraw/zinc/48/53/73/935485373.db2.gz OTZLHAPZHAMXCA-HOTGVXAUSA-N 1 1 298.446 3.260 20 30 CGEDMO C#Cc1ccc(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC001334401317 936102093 /nfs/dbraw/zinc/10/20/93/936102093.db2.gz FAOYVKKXZUKCSS-MRXNPFEDSA-N 1 1 298.430 3.052 20 30 CGEDMO CC[N@H+]1CCC[C@@H](CN[C@@H](C)c2ccc(C#N)cc2F)C1 ZINC001337505016 936265602 /nfs/dbraw/zinc/26/56/02/936265602.db2.gz YPNFHEJTSUYZPI-ZFWWWQNUSA-N 1 1 289.398 3.080 20 30 CGEDMO C=CCC[C@H]1CCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001337550361 936268498 /nfs/dbraw/zinc/26/84/98/936268498.db2.gz JGUBCTGDINEDTH-CABCVRRESA-N 1 1 289.423 3.354 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+]([C@@H](C)CCc2cccc(F)c2)C1 ZINC001337728938 936284213 /nfs/dbraw/zinc/28/42/13/936284213.db2.gz ZYZFMGUXNHVYPB-WMLDXEAASA-N 1 1 277.383 3.424 20 30 CGEDMO C[C@H](Nc1cc(C#N)ccn1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001337832971 936292781 /nfs/dbraw/zinc/29/27/81/936292781.db2.gz RIBGCWCQBUIUFN-DZGCQCFKSA-N 1 1 284.407 3.018 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C)c(C(=O)OC)c1)C(C)(C)C ZINC001473809547 937822808 /nfs/dbraw/zinc/82/28/08/937822808.db2.gz VEHLZHKVIQMGGI-UHFFFAOYSA-N 1 1 273.376 3.015 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1cnc(C(=O)OCC)s1 ZINC001473857099 937825323 /nfs/dbraw/zinc/82/53/23/937825323.db2.gz CYMQMFUQRDZJOB-GFCCVEGCSA-N 1 1 294.420 3.250 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC001473865220 937825480 /nfs/dbraw/zinc/82/54/80/937825480.db2.gz NFABYKJVMZLZHI-DZGCQCFKSA-N 1 1 290.794 3.096 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1[C@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC001473864696 937825549 /nfs/dbraw/zinc/82/55/49/937825549.db2.gz BSSXYPFSHOQIJZ-RISCZKNCSA-N 1 1 278.783 3.317 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC001473864696 937825551 /nfs/dbraw/zinc/82/55/51/937825551.db2.gz BSSXYPFSHOQIJZ-RISCZKNCSA-N 1 1 278.783 3.317 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1CCc1cccc2c1OC(F)(F)O2 ZINC001473865334 937826179 /nfs/dbraw/zinc/82/61/79/937826179.db2.gz PMKPGMSGOBXAHK-GFCCVEGCSA-N 1 1 281.302 3.201 20 30 CGEDMO C#C[C@H]1CCCC[N@H+]1C[C@@H](O)c1ccc(F)cc1Cl ZINC001473868369 937826209 /nfs/dbraw/zinc/82/62/09/937826209.db2.gz PTUNCSMKKYYIOX-SWLSCSKDSA-N 1 1 281.758 3.000 20 30 CGEDMO C#C[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc(F)cc1Cl ZINC001473868369 937826210 /nfs/dbraw/zinc/82/62/10/937826210.db2.gz PTUNCSMKKYYIOX-SWLSCSKDSA-N 1 1 281.758 3.000 20 30 CGEDMO C#C[C@@H]1CCCC[N@H+]1CCOc1ccc(F)cc1Cl ZINC001473867970 937826397 /nfs/dbraw/zinc/82/63/97/937826397.db2.gz CDIAWWKDGNOAIZ-CYBMUJFWSA-N 1 1 281.758 3.346 20 30 CGEDMO C#C[C@@H]1CCCC[N@@H+]1CCOc1ccc(F)cc1Cl ZINC001473867970 937826399 /nfs/dbraw/zinc/82/63/99/937826399.db2.gz CDIAWWKDGNOAIZ-CYBMUJFWSA-N 1 1 281.758 3.346 20 30 CGEDMO N#Cc1cccc([C@H](O)C[N@H+]2CC=CC23CCCCC3)c1 ZINC001473900268 937828433 /nfs/dbraw/zinc/82/84/33/937828433.db2.gz UZNZZKQVQRUCMB-QGZVFWFLSA-N 1 1 282.387 3.166 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCC[C@]23CCCOC3)cc1F ZINC001473901827 937828989 /nfs/dbraw/zinc/82/89/89/937828989.db2.gz OERNEIYDLSWCIR-QGZVFWFLSA-N 1 1 288.366 3.232 20 30 CGEDMO C=CCCCCC[N@@H+](C)Cc1cc(OC)cnc1F ZINC001474369162 937854703 /nfs/dbraw/zinc/85/47/03/937854703.db2.gz GDVAYNSDPBHEBD-UHFFFAOYSA-N 1 1 266.360 3.408 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cc(OC)cnc1F ZINC001474369162 937854705 /nfs/dbraw/zinc/85/47/05/937854705.db2.gz GDVAYNSDPBHEBD-UHFFFAOYSA-N 1 1 266.360 3.408 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC001474369878 937855533 /nfs/dbraw/zinc/85/55/33/937855533.db2.gz QYXSSYDODUVQOR-BETUJISGSA-N 1 1 277.795 3.440 20 30 CGEDMO C#CC[N@H+](CC#CC)[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC001474369690 937855639 /nfs/dbraw/zinc/85/56/39/937855639.db2.gz OPEOFUYEHAYEFS-RBUKOAKNSA-N 1 1 265.400 3.455 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)Cc1cnc(OC)s1 ZINC001474383863 937855981 /nfs/dbraw/zinc/85/59/81/937855981.db2.gz HXEMDAQTJUECNK-UHFFFAOYSA-N 1 1 288.416 3.382 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1cnc(OC)s1 ZINC001474383863 937855983 /nfs/dbraw/zinc/85/59/83/937855983.db2.gz HXEMDAQTJUECNK-UHFFFAOYSA-N 1 1 288.416 3.382 20 30 CGEDMO C#CC[N@@H+](CC)Cc1c(C)nn(-c2ccccc2C)c1C ZINC001474382701 937856179 /nfs/dbraw/zinc/85/61/79/937856179.db2.gz OTEZWBABNVGKAY-UHFFFAOYSA-N 1 1 281.403 3.253 20 30 CGEDMO C#CC[N@H+](CC)Cc1c(C)nn(-c2ccccc2C)c1C ZINC001474382701 937856181 /nfs/dbraw/zinc/85/61/81/937856181.db2.gz OTEZWBABNVGKAY-UHFFFAOYSA-N 1 1 281.403 3.253 20 30 CGEDMO CCC[C@@H](C[N@@H+](Cc1ccc(C#N)cc1)C1CC1)OC ZINC001474390057 937856912 /nfs/dbraw/zinc/85/69/12/937856912.db2.gz RSXNFNALDUTEMI-KRWDZBQOSA-N 1 1 272.392 3.338 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(CC)CCC1 ZINC001479233784 937917842 /nfs/dbraw/zinc/91/78/42/937917842.db2.gz BQZCSXORKGVIGC-HZPDHXFCSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCC#CC ZINC001479235435 937917948 /nfs/dbraw/zinc/91/79/48/937917948.db2.gz ISXJKDPNUISPOL-IAGOWNOFSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)CCC(C)(C)C ZINC001479261668 937918416 /nfs/dbraw/zinc/91/84/16/937918416.db2.gz YSHVFWAFEHHHGR-LSDHHAIUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)CCC(C)(C)C ZINC001479261668 937918417 /nfs/dbraw/zinc/91/84/17/937918417.db2.gz YSHVFWAFEHHHGR-LSDHHAIUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C(F)=C2CCCC2)[C@H]1C ZINC001479704127 937923973 /nfs/dbraw/zinc/92/39/73/937923973.db2.gz TYIVZXALABRZPZ-HIFRSBDPSA-N 1 1 294.414 3.329 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC1(C)C ZINC001479734134 937924338 /nfs/dbraw/zinc/92/43/38/937924338.db2.gz IQAPXRDEFUCHJH-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@H+](CC/C=C\CCC)[C@@H]1C ZINC001479701028 937924417 /nfs/dbraw/zinc/92/44/17/937924417.db2.gz RFDZCFPFEYSFOD-AISUJJHZSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1cc(C)oc1C ZINC001479732117 937924688 /nfs/dbraw/zinc/92/46/88/937924688.db2.gz WMGFTAHJPAXDQB-HNNXBMFYSA-N 1 1 290.407 3.009 20 30 CGEDMO C#Cc1ccc(C(=O)NCCC[N@H+](C)[C@@H](C)CCC=C)cc1 ZINC001479788409 937925651 /nfs/dbraw/zinc/92/56/51/937925651.db2.gz QXUPNBBNYHFSHT-INIZCTEOSA-N 1 1 298.430 3.074 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCCNC(=O)[C@H](F)c1ccccc1 ZINC001479799003 937925876 /nfs/dbraw/zinc/92/58/76/937925876.db2.gz NDIGEQRRMDGWMX-MRXNPFEDSA-N 1 1 292.398 3.102 20 30 CGEDMO C=CCC[N@@H+](C)CCCNC(=O)c1cc2ccccc2o1 ZINC001479812545 937926567 /nfs/dbraw/zinc/92/65/67/937926567.db2.gz PTLKPDVDHZJPOO-UHFFFAOYSA-N 1 1 286.375 3.061 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)[C@H]1CCCC[C@H]1C ZINC001479853028 937927293 /nfs/dbraw/zinc/92/72/93/937927293.db2.gz YSIHVRWIRKGJSF-CVEARBPZSA-N 1 1 280.456 3.217 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C)o2)C1 ZINC001479944491 937929752 /nfs/dbraw/zinc/92/97/52/937929752.db2.gz VELPQEMJEXYZRL-OAHLLOKOSA-N 1 1 292.423 3.363 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](CC)CCC)C1 ZINC001480085030 937932247 /nfs/dbraw/zinc/93/22/47/937932247.db2.gz LWRIZKFQWCMWRZ-JKSUJKDBSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]2C[N@@H+](CCCC)CC[C@@H]21 ZINC001480186486 937933663 /nfs/dbraw/zinc/93/36/63/937933663.db2.gz NLHSNFLKQRIJDF-SJORKVTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]2C[N@H+](CC(=C)Cl)CC[C@@H]21 ZINC001480184219 937934005 /nfs/dbraw/zinc/93/40/05/937934005.db2.gz LLJIXSOTGSKLHK-CABCVRRESA-N 1 1 296.842 3.018 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]2C[N@@H+](CC(=C)Cl)CC[C@@H]21 ZINC001480184219 937934007 /nfs/dbraw/zinc/93/40/07/937934007.db2.gz LLJIXSOTGSKLHK-CABCVRRESA-N 1 1 296.842 3.018 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C(C)C)C1 ZINC001480253256 937935263 /nfs/dbraw/zinc/93/52/63/937935263.db2.gz HLDJSUXLQWBQLO-INIZCTEOSA-N 1 1 294.483 3.463 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)CCCCCC(C)C)C1 ZINC001480266497 937935662 /nfs/dbraw/zinc/93/56/62/937935662.db2.gz TYQDVVVMOPMCNL-KRWDZBQOSA-N 1 1 292.467 3.054 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@H](C)[NH2+]C/C(Cl)=C\Cl ZINC001480523166 937939559 /nfs/dbraw/zinc/93/95/59/937939559.db2.gz XIXHFFIOSMGMEP-QHABWNLFSA-N 1 1 293.238 3.002 20 30 CGEDMO C=CCCCC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001480382529 937937603 /nfs/dbraw/zinc/93/76/03/937937603.db2.gz JYEWDFMZUWLQBH-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2(CC)CC2)C1 ZINC001480383082 937937637 /nfs/dbraw/zinc/93/76/37/937937637.db2.gz MNCDPGKVAXFALH-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)CC(C)(C)C)C1 ZINC001480742904 937943313 /nfs/dbraw/zinc/94/33/13/937943313.db2.gz SAKSSQSUOJHMPN-HNNXBMFYSA-N 1 1 292.467 3.005 20 30 CGEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](CCCC)C(C)C)C1 ZINC001480743236 937943354 /nfs/dbraw/zinc/94/33/54/937943354.db2.gz XNGMPCUKCNAXAZ-IRXDYDNUSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCCC(=O)NCC[N@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC001480848244 937945899 /nfs/dbraw/zinc/94/58/99/937945899.db2.gz LWLDNPDJRRGFAZ-GFCCVEGCSA-N 1 1 296.361 3.040 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)CC(C)(C)CC ZINC001493109839 937947533 /nfs/dbraw/zinc/94/75/33/937947533.db2.gz XGRBTZGAEMMOLH-ZDUSSCGKSA-N 1 1 286.847 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)CC(C)(C)CC ZINC001493109839 937947534 /nfs/dbraw/zinc/94/75/34/937947534.db2.gz XGRBTZGAEMMOLH-ZDUSSCGKSA-N 1 1 286.847 3.146 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)C1(CC=C)CCC1 ZINC001493135183 937947907 /nfs/dbraw/zinc/94/79/07/937947907.db2.gz HBHHPTYLZQCYPM-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C[C@H](CC)CC(=O)NCC[C@@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001494043607 937953091 /nfs/dbraw/zinc/95/30/91/937953091.db2.gz SLBSDODYCZNLMK-IAGOWNOFSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](CCNC(=O)C(C)(C)CC(C)C)C1 ZINC001494070394 937953420 /nfs/dbraw/zinc/95/34/20/937953420.db2.gz QRVQCCOWXPWSJA-OAHLLOKOSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)C(C)C)C1 ZINC001494163301 937953630 /nfs/dbraw/zinc/95/36/30/937953630.db2.gz PQENJCVJLCMISN-HZPDHXFCSA-N 1 1 280.456 3.025 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001494323411 937954369 /nfs/dbraw/zinc/95/43/69/937954369.db2.gz GDASQHYYBQOJQT-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[NH+]1CC(NC(=O)c2ccc3ccccc3c2)C1 ZINC001494486677 937954937 /nfs/dbraw/zinc/95/49/37/937954937.db2.gz MKBIHSMGAZOFRC-UHFFFAOYSA-N 1 1 294.398 3.220 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(CCC)CC1 ZINC001494672763 937955783 /nfs/dbraw/zinc/95/57/83/937955783.db2.gz LWENBMICCMAHPC-PMPSAXMXSA-N 1 1 290.451 3.207 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001494732626 937956150 /nfs/dbraw/zinc/95/61/50/937956150.db2.gz BZMKTNGTCKWIDQ-ULQDDVLXSA-N 1 1 292.467 3.360 20 30 CGEDMO CC#CCCCC(=O)N(C)CC[N@@H+](C)CC1=CCCCC1 ZINC001496764278 937964070 /nfs/dbraw/zinc/96/40/70/937964070.db2.gz OZYZHYPXPXQXDG-UHFFFAOYSA-N 1 1 290.451 3.071 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H](C)C[N@@H+](C)CCC(C)(C)C ZINC001498375192 937969222 /nfs/dbraw/zinc/96/92/22/937969222.db2.gz KGSGDJKQUMXHNV-YOEHRIQHSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H]1CNC(=O)C(C)=C1CCC1 ZINC001498973127 937971665 /nfs/dbraw/zinc/97/16/65/937971665.db2.gz ISKBZIJGXQRWJM-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)cc(C)c1 ZINC001499107715 937972494 /nfs/dbraw/zinc/97/24/94/937972494.db2.gz USCNVQTWEVNOTF-QGZVFWFLSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C1CC(C)(C(=O)N(C)C2C[NH+](CC/C=C/CCC)C2)C1 ZINC001499744424 937974387 /nfs/dbraw/zinc/97/43/87/937974387.db2.gz MXKPHCJADGEULM-BQYQJAHWSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)CC2=CCCCC2)C1 ZINC001500199371 937976232 /nfs/dbraw/zinc/97/62/32/937976232.db2.gz ZWNTVYFUCGRNBI-QGZVFWFLSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC1CCC1)C2 ZINC001501164123 937979059 /nfs/dbraw/zinc/97/90/59/937979059.db2.gz UECHJVVYAKEMQA-BJWYYQGGSA-N 1 1 290.451 3.112 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC ZINC001501368021 937979349 /nfs/dbraw/zinc/97/93/49/937979349.db2.gz AZKOUPGNPYFXFU-HZPDHXFCSA-N 1 1 280.456 3.432 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@H](F)CC ZINC001501391270 937979404 /nfs/dbraw/zinc/97/94/04/937979404.db2.gz POMIEJLOSOPNAU-OAGGEKHMSA-N 1 1 296.430 3.156 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)CCC ZINC001501396110 937979420 /nfs/dbraw/zinc/97/94/20/937979420.db2.gz SRRAUBNRXXBTJO-HZPDHXFCSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC(CC)CC ZINC001501403060 937979630 /nfs/dbraw/zinc/97/96/30/937979630.db2.gz CONSYQXJUIQYQP-DLBZAZTESA-N 1 1 292.467 3.454 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C)CC(C)C)CC1 ZINC001502143332 937981495 /nfs/dbraw/zinc/98/14/95/937981495.db2.gz QNXPOBNKNBMJSQ-DLBZAZTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)CC)CC1 ZINC001502135862 937981506 /nfs/dbraw/zinc/98/15/06/937981506.db2.gz SQFYQZOGEGZPQY-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CCCCC(=O)N(C)CCC[N@@H+](C)CC1CCCCC1 ZINC001502178351 937981799 /nfs/dbraw/zinc/98/17/99/937981799.db2.gz WKYKVJYUCZWQHC-UHFFFAOYSA-N 1 1 292.467 3.151 20 30 CGEDMO C=CC[N@H+](C)CCCN(C)C(=O)CC1(C=C)CCCCC1 ZINC001502382780 937982262 /nfs/dbraw/zinc/98/22/62/937982262.db2.gz ZNEMFHQBPLYTSY-UHFFFAOYSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)/C=C/C(C)(C)C)cc2C1 ZINC001502648098 937982562 /nfs/dbraw/zinc/98/25/62/937982562.db2.gz FOWPFNVXKUZRGO-CMDGGOBGSA-N 1 1 298.430 3.407 20 30 CGEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)/C=C/C(C)(C)C)cc2C1 ZINC001502648098 937982563 /nfs/dbraw/zinc/98/25/63/937982563.db2.gz FOWPFNVXKUZRGO-CMDGGOBGSA-N 1 1 298.430 3.407 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[N@@H+](CCC(C)(C)C)[C@H](C)C1 ZINC001502906871 937983546 /nfs/dbraw/zinc/98/35/46/937983546.db2.gz RXMBJCKPCQASBO-HUUCEWRRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)CSC(C)C)C[C@@H]1C ZINC001502903971 937983820 /nfs/dbraw/zinc/98/38/20/937983820.db2.gz WZYLUAUPNKLOMR-GJZGRUSLSA-N 1 1 298.496 3.063 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C1CC(C)(C)C1 ZINC001505429329 937985168 /nfs/dbraw/zinc/98/51/68/937985168.db2.gz OYIMMNPXPHMCJR-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)C1CC1 ZINC001505443644 937985573 /nfs/dbraw/zinc/98/55/73/937985573.db2.gz OBKOJGLRCKQHHW-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCC)C2)C1 ZINC001505468656 937985843 /nfs/dbraw/zinc/98/58/43/937985843.db2.gz CMMVNHKTKRQRKU-IAGOWNOFSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(C)cc1 ZINC001505928999 937988144 /nfs/dbraw/zinc/98/81/44/937988144.db2.gz RLQGQCMLMZIMGA-INIZCTEOSA-N 1 1 288.435 3.288 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)C(C)C)C[C@H]2C1 ZINC001506852120 937992206 /nfs/dbraw/zinc/99/22/06/937992206.db2.gz AXMKZIWLKGCPST-JYJNAYRXSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CCCC(=O)N1C[C@]2(C)C[N@H+](CCC(C)C)C[C@]2(C)C1 ZINC001506869700 937992272 /nfs/dbraw/zinc/99/22/72/937992272.db2.gz SWLWFODENAHYRP-HDICACEKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)C(C)C)C[C@@H]2C1 ZINC001506852122 937992310 /nfs/dbraw/zinc/99/23/10/937992310.db2.gz AXMKZIWLKGCPST-XHSDSOJGSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](CCC(=C)C)[C@@H]1C ZINC001507381908 937995570 /nfs/dbraw/zinc/99/55/70/937995570.db2.gz KQGWMNRSSRMICB-CABCVRRESA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)CCC(=C)C)CC1 ZINC001508207257 937998689 /nfs/dbraw/zinc/99/86/89/937998689.db2.gz QYPQANVGDMFXMO-INIZCTEOSA-N 1 1 290.451 3.446 20 30 CGEDMO C=CC1(CC(=O)N(C)[C@H]2CCC[N@@H+](C)C2)CCCCC1 ZINC001514797525 938002813 /nfs/dbraw/zinc/00/28/13/938002813.db2.gz LETDXKIANNIOIG-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C1CCC(C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC001525394782 938048956 /nfs/dbraw/zinc/04/89/56/938048956.db2.gz KCKTZUINVBEYSH-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC1(CC(=O)N2[C@H](C)C[N@@H+](C)[C@@H](C)[C@H]2C)CCCCC1 ZINC001530893124 938079937 /nfs/dbraw/zinc/07/99/37/938079937.db2.gz UDPCUOBRLZJCMV-OWCLPIDISA-N 1 1 292.467 3.453 20 30 CGEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)CCCCCCC ZINC001542186117 938135348 /nfs/dbraw/zinc/13/53/48/938135348.db2.gz MCZVFSHAIOAWQU-IRXDYDNUSA-N 1 1 292.467 3.197 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)CCCCCCC ZINC001542186117 938135349 /nfs/dbraw/zinc/13/53/49/938135349.db2.gz MCZVFSHAIOAWQU-IRXDYDNUSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C[C@H](CC)CC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001542303862 938135703 /nfs/dbraw/zinc/13/57/03/938135703.db2.gz OONVUGHWQPSODI-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO CCCCCCCCCC(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC001558425412 938215284 /nfs/dbraw/zinc/21/52/84/938215284.db2.gz DYWNQTJCDPFHIM-GJZGRUSLSA-N 1 1 268.445 3.336 20 30 CGEDMO CCCCCCCCCC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC001558425411 938215319 /nfs/dbraw/zinc/21/53/19/938215319.db2.gz DYWNQTJCDPFHIM-CABCVRRESA-N 1 1 268.445 3.336 20 30 CGEDMO C=CC[C@H](C(=O)OC)[N@H+]1C[C@H](c2ccccc2C)C[C@@H]1C ZINC001559554938 938229345 /nfs/dbraw/zinc/22/93/45/938229345.db2.gz OATFDMRBXLIFDJ-ZMSDIMECSA-N 1 1 287.403 3.291 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@@H]1COC(=O)N1CCCCC1 ZINC001559814270 938236436 /nfs/dbraw/zinc/23/64/36/938236436.db2.gz VARSFIGPAMUCFC-OAHLLOKOSA-N 1 1 280.412 3.040 20 30 CGEDMO C=CCCCC[N@H+]1CCNC(=O)[C@@H]1CC1CCCCC1 ZINC001559919276 938239186 /nfs/dbraw/zinc/23/91/86/938239186.db2.gz DLSIHNGZPJKXPX-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C#CC[C@H]1CC[N@H+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC001560136378 938244969 /nfs/dbraw/zinc/24/49/69/938244969.db2.gz RHPFGUYKNCORFC-XHDPSFHLSA-N 1 1 298.213 3.372 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1ccc(S(C)(=O)=O)cc1 ZINC001560200340 938246853 /nfs/dbraw/zinc/24/68/53/938246853.db2.gz UIQPIMNSHFSASA-OAHLLOKOSA-N 1 1 293.432 3.021 20 30 CGEDMO C=CCCC[N@H+](CC)CC(=O)N(C1CC1)C1CCCC1 ZINC001560204189 938246946 /nfs/dbraw/zinc/24/69/46/938246946.db2.gz AWQHTCSDEYCTPS-UHFFFAOYSA-N 1 1 278.440 3.208 20 30 CGEDMO C[C@H]1CC[C@@H](NCC(C)(C)C#N)C[N@@H+]1Cc1ccccc1 ZINC001560741247 938273273 /nfs/dbraw/zinc/27/32/73/938273273.db2.gz QBBZHYAFKYQLNK-DOTOQJQBSA-N 1 1 285.435 3.179 20 30 CGEDMO C[C@H]1CC[C@@H](NCC(C)(C)C#N)C[N@H+]1Cc1ccccc1 ZINC001560741247 938273274 /nfs/dbraw/zinc/27/32/74/938273274.db2.gz QBBZHYAFKYQLNK-DOTOQJQBSA-N 1 1 285.435 3.179 20 30 CGEDMO Cc1coc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)c1 ZINC001560863488 938280359 /nfs/dbraw/zinc/28/03/59/938280359.db2.gz UOTHICQXBGVWCU-UHFFFAOYSA-N 1 1 284.359 3.108 20 30 CGEDMO C#CCC[N@H+](CCOC)C[C@H](C)c1cccc(Cl)c1 ZINC001560945893 938285669 /nfs/dbraw/zinc/28/56/69/938285669.db2.gz MQDLJXGKEFFDBX-AWEZNQCLSA-N 1 1 279.811 3.415 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(OC)c(O)cc2Cl)C1 ZINC001560948481 938286189 /nfs/dbraw/zinc/28/61/89/938286189.db2.gz YDOADJRZGPEEIJ-LLVKDONJSA-N 1 1 281.783 3.452 20 30 CGEDMO C=CCCC[N@H+](CC)CCNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001480999321 957700786 /nfs/dbraw/zinc/70/07/86/957700786.db2.gz PRKVWSKTWMKCAS-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H](C)C[N@H+](C)CC/C=C\CC)C1 ZINC001498374657 957717407 /nfs/dbraw/zinc/71/74/07/957717407.db2.gz AADUCCYNCKKPCC-ZPIQOJFGSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC(=O)N(C)CC[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001482584915 957731662 /nfs/dbraw/zinc/73/16/62/957731662.db2.gz RTBJDAQVWKIYOD-QGZVFWFLSA-N 1 1 286.419 3.030 20 30 CGEDMO N#C[C@H]1CC[C@H]([NH2+]CC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC001254642988 958814281 /nfs/dbraw/zinc/81/42/81/958814281.db2.gz HZCIRWCDUIFNAO-ONGXEEELSA-N 1 1 297.185 3.458 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)C[C@@H](CC)C(C)C)C1 ZINC001317142978 960429567 /nfs/dbraw/zinc/42/95/67/960429567.db2.gz IKFJOUZGXXCDHX-HZPDHXFCSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)C[C@@H](CC)C(C)(C)C ZINC001569146567 960454133 /nfs/dbraw/zinc/45/41/33/960454133.db2.gz HQVXVGIHCXVSMQ-HUUCEWRRSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)C(=C)C ZINC001570728495 960458913 /nfs/dbraw/zinc/45/89/13/960458913.db2.gz PXVWRGOZBAENPZ-GJZGRUSLSA-N 1 1 280.456 3.380 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)C[C@H]1CCCC[C@@H]1C ZINC001567322055 960590947 /nfs/dbraw/zinc/59/09/47/960590947.db2.gz PLYQBKDCNFJGQE-JKSUJKDBSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C1CCC(CNC(=O)N[C@@H](C)C[N@H+](CC)CCC)CC1 ZINC001564874493 960697233 /nfs/dbraw/zinc/69/72/33/960697233.db2.gz BWQKOMRDGBEMKY-HNNXBMFYSA-N 1 1 295.471 3.152 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1(CC(C)C)CCCC1 ZINC001565830057 960828942 /nfs/dbraw/zinc/82/89/42/960828942.db2.gz RASVZLABSVQIQT-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(CC(C)C)CCCC1 ZINC001565830057 960828953 /nfs/dbraw/zinc/82/89/53/960828953.db2.gz RASVZLABSVQIQT-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C1(C)CCC1 ZINC001565822275 960834525 /nfs/dbraw/zinc/83/45/25/960834525.db2.gz BYZCACFYPLRMJQ-GJZGRUSLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)C(C)(C)C ZINC001565819410 960836706 /nfs/dbraw/zinc/83/67/06/960836706.db2.gz FXNPUJRRRFRQSD-CABCVRRESA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCCCC)C[C@@H]2C1 ZINC001566054349 960865797 /nfs/dbraw/zinc/86/57/97/960865797.db2.gz XHSGUXGXUYBZGT-SJORKVTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C2(CC)CC2)[C@H]1CC ZINC001566021951 960868198 /nfs/dbraw/zinc/86/81/98/960868198.db2.gz XDYADHIVCVSSMN-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@H+](CCC)CC(C)(C)C1 ZINC001566130464 960891927 /nfs/dbraw/zinc/89/19/27/960891927.db2.gz XFKICIGISLDLMX-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@H+](C)CCCNC(=O)c1ccccc1C(C)C ZINC001566460636 960941957 /nfs/dbraw/zinc/94/19/57/960941957.db2.gz WXGOPYNYVKLIMT-UHFFFAOYSA-N 1 1 288.435 3.438 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCCNC(=O)c1cccc(C)c1F ZINC001566456778 960944149 /nfs/dbraw/zinc/94/41/49/960944149.db2.gz WYQURJYFKRXGHW-UHFFFAOYSA-N 1 1 292.398 3.152 20 30 CGEDMO C=C(Cl)C[N@@H+](CCCNC(=O)/C=C(/C)CC)C1CC1 ZINC001566586859 960958914 /nfs/dbraw/zinc/95/89/14/960958914.db2.gz XTBRYWQDIWHHBM-BENRWUELSA-N 1 1 284.831 3.066 20 30 CGEDMO C=C(Cl)C[N@H+](CCCNC(=O)/C=C(/C)CC)C1CC1 ZINC001566586859 960958919 /nfs/dbraw/zinc/95/89/19/960958919.db2.gz XTBRYWQDIWHHBM-BENRWUELSA-N 1 1 284.831 3.066 20 30 CGEDMO C=C(C)CCC(=O)N(C)C1CC[NH+](CC(=C)Cl)CC1 ZINC001566609793 960961791 /nfs/dbraw/zinc/96/17/91/960961791.db2.gz OHRCQOBPZCGTFF-UHFFFAOYSA-N 1 1 284.831 3.018 20 30 CGEDMO C=CCCC(=O)N[C@H]1CCC[N@H+](CC2CCC(C)CC2)C1 ZINC001566616824 960970490 /nfs/dbraw/zinc/97/04/90/960970490.db2.gz ODGRRWGEBJTBHM-JCYILVPMSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001566678668 960983919 /nfs/dbraw/zinc/98/39/19/960983919.db2.gz CMXWDBRQPZZLQU-OAHLLOKOSA-N 1 1 292.810 3.110 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCCC)C1 ZINC001566824331 961024571 /nfs/dbraw/zinc/02/45/71/961024571.db2.gz HPHGETRBZLQCMZ-DLBZAZTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001566820288 961024883 /nfs/dbraw/zinc/02/48/83/961024883.db2.gz LSNHXQCDAXHRCZ-HZTRTUMWSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C\Cl ZINC001566819834 961026914 /nfs/dbraw/zinc/02/69/14/961026914.db2.gz UELMKRYWCCWRQQ-RKTZOXLDSA-N 1 1 296.842 3.207 20 30 CGEDMO C#CCCCCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC ZINC001566820422 961027948 /nfs/dbraw/zinc/02/79/48/961027948.db2.gz QVVYQXXTTAIDBY-ALOPSCKCSA-N 1 1 290.451 3.092 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CCC(C)C)C1 ZINC001566958958 961071271 /nfs/dbraw/zinc/07/12/71/961071271.db2.gz WSAISNFUYKPQIF-HOTGVXAUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)C2CC3(CC3)C2)C1 ZINC001567199400 961136605 /nfs/dbraw/zinc/13/66/05/961136605.db2.gz WCACGWQVFGHEMY-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)CC2(C)CC2)C1 ZINC001567195092 961142721 /nfs/dbraw/zinc/14/27/21/961142721.db2.gz IBCXPKRLMTVCGY-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H](C)C1CCCC1 ZINC001567265061 961152434 /nfs/dbraw/zinc/15/24/34/961152434.db2.gz PIDVTPZWCRVOGX-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H](C)C1CCCC1 ZINC001567265062 961154640 /nfs/dbraw/zinc/15/46/40/961154640.db2.gz PIDVTPZWCRVOGX-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CCCNC(=O)C=C(C)C ZINC001567243663 961159402 /nfs/dbraw/zinc/15/94/02/961159402.db2.gz OEYNWLAAUDYPSD-INIZCTEOSA-N 1 1 278.440 3.280 20 30 CGEDMO C=C(C)CCC(=O)NCC[N@H+](C)Cc1cccc(CC)c1 ZINC001567284751 961265311 /nfs/dbraw/zinc/26/53/11/961265311.db2.gz UMLCLZRANZPZHR-UHFFFAOYSA-N 1 1 288.435 3.153 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](F)CC1CCCCC1 ZINC001567383582 961302671 /nfs/dbraw/zinc/30/26/71/961302671.db2.gz UYMMAXNRDUICHT-JKSUJKDBSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)c1ccc(C)cc1C ZINC001567433214 961333992 /nfs/dbraw/zinc/33/39/92/961333992.db2.gz WYBBOZBIJXSZQD-UHFFFAOYSA-N 1 1 288.435 3.321 20 30 CGEDMO C=CCC[N@@H+](CCNC(=O)CC1=CCCCC1)C1CC1 ZINC001567439094 961335753 /nfs/dbraw/zinc/33/57/53/961335753.db2.gz JJWHOLFSOMRHTR-UHFFFAOYSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21)C(C)C ZINC001567640328 961384748 /nfs/dbraw/zinc/38/47/48/961384748.db2.gz GMVCBUBFEZQYPE-FVQHAEBGSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(Cl)C[N@H+](CCCNC(=O)C#CC(C)(C)C)C(C)C ZINC001567641452 961386733 /nfs/dbraw/zinc/38/67/33/961386733.db2.gz GTJQHRYRBJEIKM-UHFFFAOYSA-N 1 1 298.858 3.005 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(CCC)C(=O)c2ccco2)C1 ZINC001567679284 961388967 /nfs/dbraw/zinc/38/89/67/961388967.db2.gz WSSUYZYQCSMQOK-HNNXBMFYSA-N 1 1 290.407 3.172 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ccco2)C1 ZINC001567679285 961396621 /nfs/dbraw/zinc/39/66/21/961396621.db2.gz WSSUYZYQCSMQOK-OAHLLOKOSA-N 1 1 290.407 3.172 20 30 CGEDMO C=CC(C)(C)CC(=O)NCC[C@H]1CC[N@H+](C[C@@H](C)CC)C1 ZINC001567701273 961404384 /nfs/dbraw/zinc/40/43/84/961404384.db2.gz GHKDJNRVSKGPPE-HOTGVXAUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](CCNC(=O)C2(CCC)CCC2)C1 ZINC001567706515 961410080 /nfs/dbraw/zinc/41/00/80/961410080.db2.gz ZKRDPQBNEFRMBH-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)C2CCC2)C1 ZINC001567736422 961417204 /nfs/dbraw/zinc/41/72/04/961417204.db2.gz UZYSKKLOORYZNO-OAHLLOKOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC(C)(C)C(=O)NC1C[NH+](CC/C=C\CCC)C1 ZINC001567808357 961434993 /nfs/dbraw/zinc/43/49/93/961434993.db2.gz QAAQJXPANJUMIB-HJWRWDBZSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)=C1CCCC1 ZINC001567854070 961441968 /nfs/dbraw/zinc/44/19/68/961441968.db2.gz UJHHFIMNYUYHMR-IRXDYDNUSA-N 1 1 288.435 3.128 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2(CCCC)CC2)C1 ZINC001567878253 961455601 /nfs/dbraw/zinc/45/56/01/961455601.db2.gz SGCFKDJIAVWUSB-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](F)CC)C1 ZINC001567918630 961460076 /nfs/dbraw/zinc/46/00/76/961460076.db2.gz MDVNZCOYHHIZTE-GJZGRUSLSA-N 1 1 284.419 3.014 20 30 CGEDMO C=CCCCC(=O)N(C)[C@H]1CC[N@H+]([C@H](C)CCC=C)C1 ZINC001567920258 961461478 /nfs/dbraw/zinc/46/14/78/961461478.db2.gz ALQXNBGDWFDTPT-CVEARBPZSA-N 1 1 278.440 3.230 20 30 CGEDMO C=CCC(C)(C)C(=O)N(C)CC[N@@H+](C)Cc1ccsc1 ZINC001568497383 961595354 /nfs/dbraw/zinc/59/53/54/961595354.db2.gz CFAMKIMUCPQLTJ-UHFFFAOYSA-N 1 1 294.464 3.241 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)c1cc[nH]c1C(C)C ZINC001568493283 961595547 /nfs/dbraw/zinc/59/55/47/961595547.db2.gz ONDZLRAUMVADTD-UHFFFAOYSA-N 1 1 291.439 3.108 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCCC)C1 ZINC001568514406 961609063 /nfs/dbraw/zinc/60/90/63/961609063.db2.gz XHXNUVFCIIDYTE-HOTGVXAUSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@H](C)NC(=O)/C(C)=C\CC ZINC001569107773 961684946 /nfs/dbraw/zinc/68/49/46/961684946.db2.gz XDLDECCRSDATMY-GTISMEIMSA-N 1 1 266.429 3.134 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)c1ccc2[nH]ccc2c1 ZINC001569135212 961695448 /nfs/dbraw/zinc/69/54/48/961695448.db2.gz SUTJORFBSATMAT-AWEZNQCLSA-N 1 1 299.418 3.184 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)c1ccc(C2CC2)cc1 ZINC001569151257 961711798 /nfs/dbraw/zinc/71/17/98/961711798.db2.gz DOTNTIYRKQDUQH-AWEZNQCLSA-N 1 1 286.419 3.190 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)cs1 ZINC001569355431 961742043 /nfs/dbraw/zinc/74/20/43/961742043.db2.gz JTUXDPOEJKOLJP-UONOGXRCSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)C1(CC)CCC1 ZINC001569370055 961757031 /nfs/dbraw/zinc/75/70/31/961757031.db2.gz LTGLSTWITZFDHG-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+](CCNC(=O)C1CC1)C1CCCCCC1 ZINC001569448331 961770477 /nfs/dbraw/zinc/77/04/77/961770477.db2.gz PDRCWRGQEYQPGV-UHFFFAOYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)CCC)C2)C1 ZINC001569477973 961775353 /nfs/dbraw/zinc/77/53/53/961775353.db2.gz DNVRYGZSNSFTQT-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H](CC)CCCC)C1 ZINC001569630356 961815616 /nfs/dbraw/zinc/81/56/16/961815616.db2.gz YBQDUVBWAPNOER-NVXWUHKLSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@]2(C)C=CCC2)C1 ZINC001569720374 961840742 /nfs/dbraw/zinc/84/07/42/961840742.db2.gz OYDVTWJERCWOEC-MSOLQXFVSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCCC ZINC001569905740 961859639 /nfs/dbraw/zinc/85/96/39/961859639.db2.gz YNLAEJHVQOAGSN-HOTGVXAUSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1(CCC)CC1 ZINC001569912814 961875200 /nfs/dbraw/zinc/87/52/00/961875200.db2.gz KCDVEZUZWQUZQR-HZPDHXFCSA-N 1 1 290.451 3.208 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](CC)CCCC)CC1 ZINC001570171607 961910913 /nfs/dbraw/zinc/91/09/13/961910913.db2.gz YURJQUAZRSFGMY-IAGOWNOFSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)c1csc(C)c1C ZINC001570197545 961919934 /nfs/dbraw/zinc/91/99/34/961919934.db2.gz MGYQVNLUOJOMAD-UHFFFAOYSA-N 1 1 294.464 3.335 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001570204015 961923509 /nfs/dbraw/zinc/92/35/09/961923509.db2.gz ALRNAPYXRYPTOI-BJWYYQGGSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC2(C)C)CC1 ZINC001570182236 961930081 /nfs/dbraw/zinc/93/00/81/961930081.db2.gz YOECHPDJFKMOLE-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO CC#CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCCC1(C)C ZINC001570218023 961934722 /nfs/dbraw/zinc/93/47/22/961934722.db2.gz IBBHJECXCAWXEZ-INIZCTEOSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2(CC)CCC2)C(C)(C)C1 ZINC001570395128 961962993 /nfs/dbraw/zinc/96/29/93/961962993.db2.gz CYTQGSXVRMPMNU-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)CCCCC(C)C)C[C@@H]1C ZINC001570444038 961971940 /nfs/dbraw/zinc/97/19/40/961971940.db2.gz AXGVQPFGVUDRSO-DLBZAZTESA-N 1 1 292.467 3.195 20 30 CGEDMO C=CC[N@H+](CC)CC1CCN(C(=O)/C=C(\C)C2CC2)CC1 ZINC001570499781 961980659 /nfs/dbraw/zinc/98/06/59/961980659.db2.gz DEYYMEFYSRGYFS-FYWRMAATSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)CC1CCN(C(=O)/C(C)=C/C)CC1 ZINC001570500586 961981495 /nfs/dbraw/zinc/98/14/95/961981495.db2.gz WAVDANGOWVIFIM-WLRTZDKTSA-N 1 1 298.858 3.266 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)C[C@@H]1C=CCCC1 ZINC001570534222 961983994 /nfs/dbraw/zinc/98/39/94/961983994.db2.gz FHCJYQLIVWPMPE-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO CC(C)CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C#CC(C)(C)C ZINC001570530339 961990245 /nfs/dbraw/zinc/99/02/45/961990245.db2.gz JIKNDCBVAOAYCF-INIZCTEOSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccc(C)o1 ZINC001570523255 961991826 /nfs/dbraw/zinc/99/18/26/961991826.db2.gz FGXFPFHWZUWDBP-HNNXBMFYSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)CCCF ZINC001570539013 961993268 /nfs/dbraw/zinc/99/32/68/961993268.db2.gz WEWYBEUDYXAFCA-LSDHHAIUSA-N 1 1 284.419 3.014 20 30 CGEDMO CC#CCCCC(=O)N1CCC[C@@H]1C[N@@H+](C)CCC(C)C ZINC001570538685 961993447 /nfs/dbraw/zinc/99/34/47/961993447.db2.gz RLTCSGZHGBVAGA-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(C)=O)C2)C1 ZINC001570548727 962000453 /nfs/dbraw/zinc/00/04/53/962000453.db2.gz QBOPOENCVXFKPL-ZWKOTPCHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2ccoc2)C(C)(C)C1 ZINC001570889321 962105675 /nfs/dbraw/zinc/10/56/75/962105675.db2.gz VLSMVKFOLYEWRW-DZGCQCFKSA-N 1 1 290.407 3.075 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@]2(NC(=O)C(C)(C)F)CCC[C@@H]12 ZINC001571494947 962166807 /nfs/dbraw/zinc/16/68/07/962166807.db2.gz KLQUTRZEAYWZLF-JJRVBVJISA-N 1 1 296.430 3.202 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)C)[C@@H]1C ZINC001571514855 962171857 /nfs/dbraw/zinc/17/18/57/962171857.db2.gz KXQNVTSHMPXGOL-JKSUJKDBSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC(=O)NCC1=CC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC001571683127 962211940 /nfs/dbraw/zinc/21/19/40/962211940.db2.gz WMWBLTXNEJIIDU-UHFFFAOYSA-N 1 1 298.430 3.210 20 30 CGEDMO CC[C@H]1CC[C@@H](C)[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000124620175 187146069 /nfs/dbraw/zinc/14/60/69/187146069.db2.gz KOITWAPUSLNDIU-HIFRSBDPSA-N 1 1 285.391 3.150 20 30 CGEDMO C=CCC[C@@H](O)C[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000621403962 349521378 /nfs/dbraw/zinc/52/13/78/349521378.db2.gz DPXOZNTZYXPIBY-OLZOCXBDSA-N 1 1 261.356 3.117 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000589990840 346821195 /nfs/dbraw/zinc/82/11/95/346821195.db2.gz PAQBXXYYSSNWDW-HNNXBMFYSA-N 1 1 295.361 3.157 20 30 CGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](CC2CC2)C1 ZINC000590202719 346836259 /nfs/dbraw/zinc/83/62/59/346836259.db2.gz MJIHNCVSHPNJPM-XJKSGUPXSA-N 1 1 297.402 3.007 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000590599187 346854055 /nfs/dbraw/zinc/85/40/55/346854055.db2.gz BLXACJNRNMSBEW-KRWDZBQOSA-N 1 1 277.371 3.333 20 30 CGEDMO Cc1cnc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)s1 ZINC000590653785 346859253 /nfs/dbraw/zinc/85/92/53/346859253.db2.gz UGZAYNAWEPCHSK-AWEZNQCLSA-N 1 1 269.373 3.100 20 30 CGEDMO C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccncc1F ZINC000337940136 214321236 /nfs/dbraw/zinc/32/12/36/214321236.db2.gz CITUMWRNLRGYMC-SECBINFHSA-N 1 1 261.325 3.005 20 30 CGEDMO Cc1ccccc1C[N@@H+]1CCCN([C@@H](C)CCC#N)CC1 ZINC000591010693 346894364 /nfs/dbraw/zinc/89/43/64/346894364.db2.gz SJVOBJOLFJSODX-KRWDZBQOSA-N 1 1 285.435 3.195 20 30 CGEDMO Cc1ccccc1CN1CCC[N@@H+]([C@@H](C)CCC#N)CC1 ZINC000591010693 346894368 /nfs/dbraw/zinc/89/43/68/346894368.db2.gz SJVOBJOLFJSODX-KRWDZBQOSA-N 1 1 285.435 3.195 20 30 CGEDMO Cc1ccccc1CN1CCC[N@H+]([C@@H](C)CCC#N)CC1 ZINC000591010693 346894371 /nfs/dbraw/zinc/89/43/71/346894371.db2.gz SJVOBJOLFJSODX-KRWDZBQOSA-N 1 1 285.435 3.195 20 30 CGEDMO CC[C@H](C#N)Oc1cccc(CNc2cc(C)[nH+]c(C)n2)c1 ZINC000301267365 529587760 /nfs/dbraw/zinc/58/77/60/529587760.db2.gz INZXFASIPZPPJN-OAHLLOKOSA-N 1 1 296.374 3.387 20 30 CGEDMO CCc1ccccc1[C@H]([NH3+])CN[C@H](C)c1ccc(C#N)cc1 ZINC000423507788 529617038 /nfs/dbraw/zinc/61/70/38/529617038.db2.gz QLKFCCYRMAWRQK-AUUYWEPGSA-N 1 1 293.414 3.471 20 30 CGEDMO Cc1[nH]c2nc[nH+]c(N[C@H]3CC[C@@H](CC#N)C3)c2c1C ZINC000591946472 346949491 /nfs/dbraw/zinc/94/94/91/346949491.db2.gz MNGCUESAAGECNX-RYUDHWBXSA-N 1 1 269.352 3.069 20 30 CGEDMO CC(C)(C)C[C@@H]1CCC[N@H+]1Cc1ccncc1C#N ZINC000592066043 346958956 /nfs/dbraw/zinc/95/89/56/346958956.db2.gz FQQZQYMRMQRPJU-HNNXBMFYSA-N 1 1 257.381 3.354 20 30 CGEDMO Cc1cc(C)cc([C@@H](C)[NH2+]Cc2ccncc2C#N)c1 ZINC000592105222 346963383 /nfs/dbraw/zinc/96/33/83/346963383.db2.gz OGFUGXHKIXDZRS-CQSZACIVSA-N 1 1 265.360 3.421 20 30 CGEDMO CC[C@H]1c2ccccc2CC[N@H+]1Cc1ccncc1C#N ZINC000592070913 346960604 /nfs/dbraw/zinc/96/06/04/346960604.db2.gz UWNBPWPXJGCWRR-SFHVURJKSA-N 1 1 277.371 3.463 20 30 CGEDMO CC[C@H]1c2ccccc2CC[N@@H+]1Cc1ccncc1C#N ZINC000592070913 346960607 /nfs/dbraw/zinc/96/06/07/346960607.db2.gz UWNBPWPXJGCWRR-SFHVURJKSA-N 1 1 277.371 3.463 20 30 CGEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2ccncc2C#N)C1 ZINC000592070063 346960793 /nfs/dbraw/zinc/96/07/93/346960793.db2.gz DLTWFKJYAVIWDA-LSDHHAIUSA-N 1 1 275.421 3.059 20 30 CGEDMO CC[C@H]([NH2+]Cc1ccncc1C#N)c1ccccc1 ZINC000592091708 346962102 /nfs/dbraw/zinc/96/21/02/346962102.db2.gz BCTZXMLJSRPYTF-INIZCTEOSA-N 1 1 251.333 3.194 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[N@@H+](C)C(C)(C)C)c1C#N ZINC000592180809 346969365 /nfs/dbraw/zinc/96/93/65/346969365.db2.gz ZIKMAJRDPOVKLA-UHFFFAOYSA-N 1 1 282.391 3.283 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[N@H+](C)C(C)(C)C)c1C#N ZINC000592180809 346969366 /nfs/dbraw/zinc/96/93/66/346969366.db2.gz ZIKMAJRDPOVKLA-UHFFFAOYSA-N 1 1 282.391 3.283 20 30 CGEDMO N#Cc1cccc(NC(=O)C[N@H+]2CCCC[C@@H]2C2CCC2)c1 ZINC000592197800 346971333 /nfs/dbraw/zinc/97/13/33/346971333.db2.gz KIFJSLKKTADUHB-QGZVFWFLSA-N 1 1 297.402 3.151 20 30 CGEDMO C[C@H]1CC2(C[N@H+]1Cc1cccc(F)c1C#N)CCOCC2 ZINC000592184410 346970615 /nfs/dbraw/zinc/97/06/15/346970615.db2.gz PNJUDMFKFNOBOO-ZDUSSCGKSA-N 1 1 288.366 3.088 20 30 CGEDMO Cc1ccccc1C1([NH2+]Cc2ccc(C#N)o2)CC1 ZINC000592372561 346979745 /nfs/dbraw/zinc/97/97/45/346979745.db2.gz LZPXFYGXQCLWIR-UHFFFAOYSA-N 1 1 252.317 3.239 20 30 CGEDMO N#CCCOCC[N@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000593050374 347032745 /nfs/dbraw/zinc/03/27/45/347032745.db2.gz IOQWROKFCRZSQX-UHFFFAOYSA-N 1 1 296.370 3.235 20 30 CGEDMO C[C@H]([N@@H+](C)CCC(=O)Nc1cccc(C#N)c1)C(C)(C)C ZINC000042763912 344987179 /nfs/dbraw/zinc/98/71/79/344987179.db2.gz GMBUZNCUMGKQEG-ZDUSSCGKSA-N 1 1 287.407 3.253 20 30 CGEDMO CCC[C@@H](C)[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000048070701 345060512 /nfs/dbraw/zinc/06/05/12/345060512.db2.gz YOIHFVWNCODAGB-OAHLLOKOSA-N 1 1 287.407 3.054 20 30 CGEDMO C[C@@H](c1ccccc1Cl)N1CC[NH+](CCCC#N)CC1 ZINC000051538284 345091358 /nfs/dbraw/zinc/09/13/58/345091358.db2.gz GTASRXOASTZUTH-AWEZNQCLSA-N 1 1 291.826 3.322 20 30 CGEDMO COc1ccc(C[N@@H+](CCCCC#N)C2CC2)cc1 ZINC000057602349 345183056 /nfs/dbraw/zinc/18/30/56/345183056.db2.gz YGSYJXMMMPTWFG-UHFFFAOYSA-N 1 1 258.365 3.353 20 30 CGEDMO N#Cc1ccc(NC[C@@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000061846054 345235550 /nfs/dbraw/zinc/23/55/50/345235550.db2.gz NOEIKVCHTSOLOP-NSHDSACASA-N 1 1 275.783 3.108 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)NC(C)(C)CC ZINC000060168324 345211454 /nfs/dbraw/zinc/21/14/54/345211454.db2.gz FUXWPUFKZGTAOL-UHFFFAOYSA-N 1 1 288.435 3.022 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)NC(C)(C)CC ZINC000060168324 345211457 /nfs/dbraw/zinc/21/14/57/345211457.db2.gz FUXWPUFKZGTAOL-UHFFFAOYSA-N 1 1 288.435 3.022 20 30 CGEDMO C[C@@H](CNc1ccc(Cl)c(C#N)n1)[N@H+]1CCCC[C@@H]1C ZINC000067351095 345319464 /nfs/dbraw/zinc/31/94/64/345319464.db2.gz GHSFVVPHNUXCNG-RYUDHWBXSA-N 1 1 292.814 3.281 20 30 CGEDMO C=C(C)C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000066862834 345308842 /nfs/dbraw/zinc/30/88/42/345308842.db2.gz PBEAXSHMFQWSBD-UHFFFAOYSA-N 1 1 250.773 3.038 20 30 CGEDMO CC[N@H+](C)[C@@H](C(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000068370589 345351567 /nfs/dbraw/zinc/35/15/67/345351567.db2.gz FAULWMUHFQJPOU-QGZVFWFLSA-N 1 1 293.370 3.190 20 30 CGEDMO CC[N@@H+](C)[C@@H](C(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000068370589 345351569 /nfs/dbraw/zinc/35/15/69/345351569.db2.gz FAULWMUHFQJPOU-QGZVFWFLSA-N 1 1 293.370 3.190 20 30 CGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCCC1(C)C ZINC000077483661 345574597 /nfs/dbraw/zinc/57/45/97/345574597.db2.gz CNNHFJCKMATDDO-INIZCTEOSA-N 1 1 289.419 3.029 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000084135064 345729994 /nfs/dbraw/zinc/72/99/94/345729994.db2.gz KVINKYXHKQWWRB-INIZCTEOSA-N 1 1 271.360 3.391 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000091512907 345818058 /nfs/dbraw/zinc/81/80/58/345818058.db2.gz BDWRJJJDUXSVQD-LSDHHAIUSA-N 1 1 261.413 3.029 20 30 CGEDMO Cn1c2ccc(Nc3ncccc3C#N)cc2[nH+]c1C1CC1 ZINC000089649006 345773263 /nfs/dbraw/zinc/77/32/63/345773263.db2.gz QIADOZQWVONIGJ-UHFFFAOYSA-N 1 1 289.342 3.461 20 30 CGEDMO C[C@H](CCNc1cnccc1C#N)[N@@H+](C)Cc1ccccc1 ZINC000091731044 345821875 /nfs/dbraw/zinc/82/18/75/345821875.db2.gz IENQIBYTOFQVEP-OAHLLOKOSA-N 1 1 294.402 3.276 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000092071398 345830027 /nfs/dbraw/zinc/83/00/27/345830027.db2.gz ZQERJABVMKXWSV-MRXNPFEDSA-N 1 1 297.402 3.354 20 30 CGEDMO N#Cc1ccc(C[N@H+](CCO)[C@@H]2CCCc3ccccc32)o1 ZINC000093388452 345876904 /nfs/dbraw/zinc/87/69/04/345876904.db2.gz TWNTZODOFCJEAP-GOSISDBHSA-N 1 1 296.370 3.023 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)c1cncs1 ZINC000151144368 346135872 /nfs/dbraw/zinc/13/58/72/346135872.db2.gz LSWWRMYHJLUARP-SECBINFHSA-N 1 1 261.325 3.005 20 30 CGEDMO COCc1ccc(C[N@H+](C)Cc2cc(C#N)ccc2F)cc1 ZINC000155393259 346153199 /nfs/dbraw/zinc/15/31/99/346153199.db2.gz KMQVVSWYJCUKIK-UHFFFAOYSA-N 1 1 298.361 3.476 20 30 CGEDMO COCc1ccc(C[N@@H+](C)Cc2cc(C#N)ccc2F)cc1 ZINC000155393259 346153203 /nfs/dbraw/zinc/15/32/03/346153203.db2.gz KMQVVSWYJCUKIK-UHFFFAOYSA-N 1 1 298.361 3.476 20 30 CGEDMO Cc1ncsc1C[N@H+](C)Cc1ccc(C#N)cc1C ZINC000165484298 346184448 /nfs/dbraw/zinc/18/44/48/346184448.db2.gz BCQIZTQJTPOZRO-UHFFFAOYSA-N 1 1 271.389 3.264 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCCCC[C@H]1C[C@@H](C)O ZINC000166431242 346186774 /nfs/dbraw/zinc/18/67/74/346186774.db2.gz UVLHAGGEDCOFDE-QAPCUYQASA-N 1 1 286.419 3.382 20 30 CGEDMO C=CCCCC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000175078703 346247213 /nfs/dbraw/zinc/24/72/13/346247213.db2.gz IKOWLNUQHVRTPJ-OAHLLOKOSA-N 1 1 294.826 3.415 20 30 CGEDMO N#Cc1cccc2c1C[N@H+](C[C@H]1CCOc3ccccc31)C2 ZINC000405095014 346602527 /nfs/dbraw/zinc/60/25/27/346602527.db2.gz QFSUVDFUKQEOEG-MRXNPFEDSA-N 1 1 290.366 3.440 20 30 CGEDMO N#Cc1cccc2c1C[N@@H+](C[C@H]1CCOc3ccccc31)C2 ZINC000405095014 346602533 /nfs/dbraw/zinc/60/25/33/346602533.db2.gz QFSUVDFUKQEOEG-MRXNPFEDSA-N 1 1 290.366 3.440 20 30 CGEDMO C[C@@H]1C[C@H](NCC(C)(C)C#N)CC[N@H+]1Cc1ccccc1 ZINC000405216991 346603236 /nfs/dbraw/zinc/60/32/36/346603236.db2.gz ITSUNYCBXPLDRO-NVXWUHKLSA-N 1 1 285.435 3.179 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 ZINC000541315017 346652196 /nfs/dbraw/zinc/65/21/96/346652196.db2.gz PKSUDFCAUOMYJT-QILLFSRXSA-N 1 1 289.419 3.405 20 30 CGEDMO COC[C@H](C)C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000525874639 346641667 /nfs/dbraw/zinc/64/16/67/346641667.db2.gz OKWNBIRNKLPXDJ-DJIMGWMZSA-N 1 1 272.392 3.041 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1 ZINC000589200087 346789742 /nfs/dbraw/zinc/78/97/42/346789742.db2.gz ODRQJSWMKSGJRT-UONOGXRCSA-N 1 1 290.432 3.258 20 30 CGEDMO COC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000589501449 346799186 /nfs/dbraw/zinc/79/91/86/346799186.db2.gz PJVMHWHHKCURBC-ZDUSSCGKSA-N 1 1 298.308 3.188 20 30 CGEDMO C[C@@]1(c2ccc(F)cc2)CC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000593983701 347129653 /nfs/dbraw/zinc/12/96/53/347129653.db2.gz IYQVUFLIJJKKGP-GOSISDBHSA-N 1 1 295.361 3.256 20 30 CGEDMO CC(C)[C@H]1CN(c2cccc(C(F)F)c2C#N)CC[N@H+]1C ZINC000594575205 347195138 /nfs/dbraw/zinc/19/51/38/347195138.db2.gz MBAHVWFBKCLMRA-OAHLLOKOSA-N 1 1 293.361 3.272 20 30 CGEDMO N#Cc1c(F)cccc1N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594604353 347200853 /nfs/dbraw/zinc/20/08/53/347200853.db2.gz YOKALNZERDNBQQ-HZPDHXFCSA-N 1 1 273.355 3.126 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCN(C)C1 ZINC000594607000 347202154 /nfs/dbraw/zinc/20/21/54/347202154.db2.gz PNIPTAFVDSEULJ-GOSISDBHSA-N 1 1 299.462 3.404 20 30 CGEDMO CCCN(Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000594607000 347202159 /nfs/dbraw/zinc/20/21/59/347202159.db2.gz PNIPTAFVDSEULJ-GOSISDBHSA-N 1 1 299.462 3.404 20 30 CGEDMO CCCN(Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000594607000 347202163 /nfs/dbraw/zinc/20/21/63/347202163.db2.gz PNIPTAFVDSEULJ-GOSISDBHSA-N 1 1 299.462 3.404 20 30 CGEDMO CC[N@@H+]1CCC[C@H]1CNCc1ccc(C(C)(C)C#N)cc1 ZINC000594494376 347177877 /nfs/dbraw/zinc/17/78/77/347177877.db2.gz YSAFRTRAKQXGLV-KRWDZBQOSA-N 1 1 285.435 3.062 20 30 CGEDMO CC[N@H+]1CCC[C@H]1CNCc1ccc(C(C)(C)C#N)cc1 ZINC000594494376 347177879 /nfs/dbraw/zinc/17/78/79/347177879.db2.gz YSAFRTRAKQXGLV-KRWDZBQOSA-N 1 1 285.435 3.062 20 30 CGEDMO C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)c2nccn21 ZINC000594508735 347182314 /nfs/dbraw/zinc/18/23/14/347182314.db2.gz VLABGYGTTUKRGE-CJNGLKHVSA-N 1 1 294.402 3.480 20 30 CGEDMO CCc1cc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)on1 ZINC000594516479 347186765 /nfs/dbraw/zinc/18/67/65/347186765.db2.gz ZWSVPVTUNNBADX-UHFFFAOYSA-N 1 1 283.375 3.328 20 30 CGEDMO N#CCCCOc1cccc(NCc2c[nH+]c3n2CCC3)c1 ZINC000594928660 347231515 /nfs/dbraw/zinc/23/15/15/347231515.db2.gz YHJOPYJHSMKIPV-UHFFFAOYSA-N 1 1 296.374 3.124 20 30 CGEDMO CCC[N@H+](CC)CCNCc1ccc(C2(C#N)CC2)cc1 ZINC000594941330 347236292 /nfs/dbraw/zinc/23/62/92/347236292.db2.gz SDYIRIGXCNADRQ-UHFFFAOYSA-N 1 1 285.435 3.063 20 30 CGEDMO CCC[N@@H+](CC)CCNCc1ccc(C2(C#N)CC2)cc1 ZINC000594941330 347236297 /nfs/dbraw/zinc/23/62/97/347236297.db2.gz SDYIRIGXCNADRQ-UHFFFAOYSA-N 1 1 285.435 3.063 20 30 CGEDMO CCCn1nccc1C[NH2+][C@H](CCC#N)c1ccccc1 ZINC000594948740 347238706 /nfs/dbraw/zinc/23/87/06/347238706.db2.gz BZHKMXONZLIXBH-QGZVFWFLSA-N 1 1 282.391 3.428 20 30 CGEDMO CC[N@@H+](CCO[C@@H]1CC1(F)F)[C@@H](C)c1ccc(C#N)cc1 ZINC000595294636 347288244 /nfs/dbraw/zinc/28/82/44/347288244.db2.gz AEKNGZIIGFRIFF-SWLSCSKDSA-N 1 1 294.345 3.365 20 30 CGEDMO CSCC[C@@H](C)[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595374285 347296691 /nfs/dbraw/zinc/29/66/91/347296691.db2.gz ZCSHREFOSQLFGR-CYBMUJFWSA-N 1 1 262.422 3.174 20 30 CGEDMO CN(C)c1cccc(C[N@@H+](C)CCc2ccc(C#N)cc2)c1 ZINC000595385902 347297676 /nfs/dbraw/zinc/29/76/76/347297676.db2.gz ARUGNIDLKBNEBX-UHFFFAOYSA-N 1 1 293.414 3.299 20 30 CGEDMO CC[N@@H+](CCc1nccs1)CCc1ccc(C#N)cc1 ZINC000595388151 347297969 /nfs/dbraw/zinc/29/79/69/347297969.db2.gz GQKFYNTVJVDJRG-UHFFFAOYSA-N 1 1 285.416 3.122 20 30 CGEDMO COc1cc(C[NH2+][C@H](CCC#N)c2ccccc2)sn1 ZINC000595418972 347300332 /nfs/dbraw/zinc/30/03/32/347300332.db2.gz HCGFKLYEXKZCJT-CQSZACIVSA-N 1 1 287.388 3.286 20 30 CGEDMO Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](CC#N)C2)cc1C ZINC000595610200 347326207 /nfs/dbraw/zinc/32/62/07/347326207.db2.gz TUFHEQMHSYPNCI-HZPDHXFCSA-N 1 1 299.418 3.256 20 30 CGEDMO Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](CC#N)C2)cc1C ZINC000595610200 347326208 /nfs/dbraw/zinc/32/62/08/347326208.db2.gz TUFHEQMHSYPNCI-HZPDHXFCSA-N 1 1 299.418 3.256 20 30 CGEDMO Cc1cccc(C)c1OCC[N@H+]1CCC[C@H](CC#N)C1 ZINC000595610397 347326263 /nfs/dbraw/zinc/32/62/63/347326263.db2.gz XUPZMPUXFUHEHV-MRXNPFEDSA-N 1 1 272.392 3.308 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595613424 347327101 /nfs/dbraw/zinc/32/71/01/347327101.db2.gz COIFQURFGKVIPW-UKRRQHHQSA-N 1 1 253.349 3.245 20 30 CGEDMO CC1(C)C[N@@H+](C[C@H](C#N)CCC#N)CCc2ccccc21 ZINC000595630893 347330324 /nfs/dbraw/zinc/33/03/24/347330324.db2.gz CIFDTMZQTLGGDK-HNNXBMFYSA-N 1 1 281.403 3.266 20 30 CGEDMO N#Cc1sccc1N1CC[NH+](Cc2cccs2)CC1 ZINC000595632463 347330409 /nfs/dbraw/zinc/33/04/09/347330409.db2.gz XEPWBAUPYYJPBX-UHFFFAOYSA-N 1 1 289.429 3.003 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2csc(C(=O)OC)c2)C1 ZINC000595659501 347334517 /nfs/dbraw/zinc/33/45/17/347334517.db2.gz ORFUEJXEGSHFTN-GFCCVEGCSA-N 1 1 279.405 3.323 20 30 CGEDMO C[C@H](CO)[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000595670756 347335524 /nfs/dbraw/zinc/33/55/24/347335524.db2.gz CFYRWTDJHAKZQR-MLGOLLRUSA-N 1 1 292.810 3.195 20 30 CGEDMO C[C@H](CO)[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000595670756 347335529 /nfs/dbraw/zinc/33/55/29/347335529.db2.gz CFYRWTDJHAKZQR-MLGOLLRUSA-N 1 1 292.810 3.195 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc(C(=O)OC)s2)C1 ZINC000595661387 347335745 /nfs/dbraw/zinc/33/57/45/347335745.db2.gz ZXILODQCILXQTP-GFCCVEGCSA-N 1 1 279.405 3.323 20 30 CGEDMO COc1cccc([C@]2(C)CC[N@H+]([C@H]3CC[C@@H](C#N)C3)C2)c1 ZINC000595771085 347353503 /nfs/dbraw/zinc/35/35/03/347353503.db2.gz ZNNBRSYVWCBSPK-UWWQBHOKSA-N 1 1 284.403 3.351 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000595786281 347356279 /nfs/dbraw/zinc/35/62/79/347356279.db2.gz HKKACBFWFNDTGD-ROUUACIJSA-N 1 1 284.403 3.339 20 30 CGEDMO COCC[N@@H+](CCc1ccc(C#N)cc1)[C@H]1CC[C@@H](C)C1 ZINC000595462256 347307937 /nfs/dbraw/zinc/30/79/37/347307937.db2.gz SLKONSCRKQWQEW-QAPCUYQASA-N 1 1 286.419 3.238 20 30 CGEDMO C[N@H+](CCc1nsc2ccccc21)CC(C)(C)C#N ZINC000595500436 347312238 /nfs/dbraw/zinc/31/22/38/347312238.db2.gz JLSHXPUTJPBPKT-UHFFFAOYSA-N 1 1 273.405 3.320 20 30 CGEDMO C[N@@H+](CCc1nsc2ccccc21)CC(C)(C)C#N ZINC000595500436 347312242 /nfs/dbraw/zinc/31/22/42/347312242.db2.gz JLSHXPUTJPBPKT-UHFFFAOYSA-N 1 1 273.405 3.320 20 30 CGEDMO CC(C)n1cc(C2=CCC[N@H+]([C@@H](C)CCC#N)CC2)nn1 ZINC000595524713 347316000 /nfs/dbraw/zinc/31/60/00/347316000.db2.gz OCCXHLCSIITFLJ-AWEZNQCLSA-N 1 1 287.411 3.030 20 30 CGEDMO Cc1cc(C[N@H+]2CCOC(C3CC3)(C3CC3)C2)ccc1C#N ZINC000595821793 347361216 /nfs/dbraw/zinc/36/12/16/347361216.db2.gz GFHYLDDOVGKJIK-UHFFFAOYSA-N 1 1 296.414 3.258 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](CCSc2ccc(F)cc2)C1 ZINC000595833399 347363361 /nfs/dbraw/zinc/36/33/61/347363361.db2.gz HFQHQFUBJNASRN-CQSZACIVSA-N 1 1 264.369 3.153 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](CCSc2ccc(F)cc2)C1 ZINC000595833399 347363365 /nfs/dbraw/zinc/36/33/65/347363365.db2.gz HFQHQFUBJNASRN-CQSZACIVSA-N 1 1 264.369 3.153 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000595845473 347367398 /nfs/dbraw/zinc/36/73/98/347367398.db2.gz OUJAZKXPXHNKRM-TXEJJXNPSA-N 1 1 298.346 3.154 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)c(C#N)c1 ZINC000595846001 347367410 /nfs/dbraw/zinc/36/74/10/347367410.db2.gz YWHHBJUCQPLKEX-GASCZTMLSA-N 1 1 256.324 3.380 20 30 CGEDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1ccccc1C#N ZINC000595856979 347368199 /nfs/dbraw/zinc/36/81/99/347368199.db2.gz HEEHXPZBAGCPLJ-VHRNVKJDSA-N 1 1 297.402 3.150 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)C[C@@H]1CC1(C)C ZINC000595910173 347371558 /nfs/dbraw/zinc/37/15/58/347371558.db2.gz RHJBTGIIELJQBG-AWEZNQCLSA-N 1 1 258.365 3.045 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000596597622 347485855 /nfs/dbraw/zinc/48/58/55/347485855.db2.gz VBALAEZRXISKIU-UHFFFAOYSA-N 1 1 294.402 3.174 20 30 CGEDMO C[C@H](CC#N)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000596824092 347513678 /nfs/dbraw/zinc/51/36/78/347513678.db2.gz HOOXEDJJKZAYIU-HUUCEWRRSA-N 1 1 299.418 3.407 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000597175492 347544377 /nfs/dbraw/zinc/54/43/77/347544377.db2.gz BEXXFBUSLIGJJR-LBPRGKRZSA-N 1 1 286.404 3.264 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3CC[C@H]([C@H]4CCOC4)C3)cc2)CC1 ZINC000597023017 347528987 /nfs/dbraw/zinc/52/89/87/347528987.db2.gz YILGFTCHOWSASX-IRXDYDNUSA-N 1 1 296.414 3.100 20 30 CGEDMO CC[C@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597028544 347529286 /nfs/dbraw/zinc/52/92/86/347529286.db2.gz ZPERPCSXXNMTRS-AWEZNQCLSA-N 1 1 254.377 3.474 20 30 CGEDMO Cc1ccc(-c2nn(C)cc2C[N@H+]2CCC[C@H](CC#N)C2)o1 ZINC000597176568 347545326 /nfs/dbraw/zinc/54/53/26/347545326.db2.gz ILZSWQQKADRNJN-CQSZACIVSA-N 1 1 298.390 3.114 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2conc2Cc2ccccc2)C1 ZINC000597177513 347545544 /nfs/dbraw/zinc/54/55/44/347545544.db2.gz NVVLICSVOZAHPG-INIZCTEOSA-N 1 1 295.386 3.391 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2conc2Cc2ccccc2)C1 ZINC000597177513 347545546 /nfs/dbraw/zinc/54/55/46/347545546.db2.gz NVVLICSVOZAHPG-INIZCTEOSA-N 1 1 295.386 3.391 20 30 CGEDMO COC[C@]1(C)CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597135085 347539332 /nfs/dbraw/zinc/53/93/32/347539332.db2.gz NKDZQSZTSNJJPH-QGZVFWFLSA-N 1 1 284.403 3.100 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CC1(C)C ZINC000597138168 347540022 /nfs/dbraw/zinc/54/00/22/347540022.db2.gz MFFDPZDXRGIPOU-QGZVFWFLSA-N 1 1 298.430 3.489 20 30 CGEDMO Cc1ccc2cc(C[NH2+]CC3(C#N)CCC3)[nH]c2c1 ZINC000597156077 347541671 /nfs/dbraw/zinc/54/16/71/347541671.db2.gz YBDRREDIWPCKCF-UHFFFAOYSA-N 1 1 253.349 3.260 20 30 CGEDMO COc1ccccc1/C=C/C[N@H+]1CCC[C@H](CC#N)C1 ZINC000597173648 347543487 /nfs/dbraw/zinc/54/34/87/347543487.db2.gz LMQTXWHNFFCRHU-SBJJXXPASA-N 1 1 270.376 3.334 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cccc3cc[nH]c32)C1 ZINC000597173340 347543612 /nfs/dbraw/zinc/54/36/12/347543612.db2.gz JEKKHXUQJYBFRQ-CYBMUJFWSA-N 1 1 253.349 3.294 20 30 CGEDMO CN(c1ccccc1)[C@H]1CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000597224426 347557610 /nfs/dbraw/zinc/55/76/10/347557610.db2.gz FGWPMGLRBQJXFT-INIZCTEOSA-N 1 1 297.427 3.330 20 30 CGEDMO COc1ccc(C[C@@H](C)C[N@H+]2CC[C@@](C)(C#N)C2)cc1F ZINC000597231400 347558863 /nfs/dbraw/zinc/55/88/63/347558863.db2.gz NIUUAZXFGUYHFB-DYVFJYSZSA-N 1 1 290.382 3.248 20 30 CGEDMO C=CCCSCCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC000597966905 347610256 /nfs/dbraw/zinc/61/02/56/347610256.db2.gz FODFKXDRSQEXKQ-UHFFFAOYSA-N 1 1 298.496 3.067 20 30 CGEDMO CCOc1cncc(C[NH2+]CC2(C#N)CCCCC2)c1 ZINC000598645420 347674681 /nfs/dbraw/zinc/67/46/81/347674681.db2.gz CVKCVLLPVUCEBI-UHFFFAOYSA-N 1 1 273.380 3.044 20 30 CGEDMO CC[N@H+](Cc1ccccc1Cl)C[C@H](O)CC(C)(C)C#N ZINC000598586841 347666643 /nfs/dbraw/zinc/66/66/43/347666643.db2.gz FNBVHCZFHMQYKR-CQSZACIVSA-N 1 1 294.826 3.463 20 30 CGEDMO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598586095 347666782 /nfs/dbraw/zinc/66/67/82/347666782.db2.gz COLUIYMSCXYOJI-YPMHNXCESA-N 1 1 296.361 3.258 20 30 CGEDMO C[N@H+](Cc1ccc(F)cc1Cl)C[C@@H](O)CC(C)(C)C#N ZINC000598588130 347667527 /nfs/dbraw/zinc/66/75/27/347667527.db2.gz HSXXYYXCQHDGCV-ZDUSSCGKSA-N 1 1 298.789 3.212 20 30 CGEDMO C[C@@H](C[N@@H+](C)C[C@H](O)CC(C)(C)C#N)c1ccccc1 ZINC000598588540 347667649 /nfs/dbraw/zinc/66/76/49/347667649.db2.gz BTDWUPSPQFFPBY-GOEBONIOSA-N 1 1 274.408 3.023 20 30 CGEDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598593238 347668296 /nfs/dbraw/zinc/66/82/96/347668296.db2.gz RCAATVRMDLTFDS-DLBZAZTESA-N 1 1 288.435 3.240 20 30 CGEDMO CCC[C@]1(C)CCC[N@@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598594725 347668330 /nfs/dbraw/zinc/66/83/30/347668330.db2.gz ILGCTQGNKJWJGS-GDBMZVCRSA-N 1 1 266.429 3.189 20 30 CGEDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598593307 347668557 /nfs/dbraw/zinc/66/85/57/347668557.db2.gz SHHFKJIZMSSFGF-HYVNUMGLSA-N 1 1 286.419 3.165 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CC(C)(C)[C@H]1c1ccccc1 ZINC000598598002 347669404 /nfs/dbraw/zinc/66/94/04/347669404.db2.gz LVPHVGFGRXVWFK-JKSUJKDBSA-N 1 1 286.419 3.370 20 30 CGEDMO CSc1ccccc1C[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598612271 347671506 /nfs/dbraw/zinc/67/15/06/347671506.db2.gz UPBIADQAQDKMOA-AWEZNQCLSA-N 1 1 292.448 3.141 20 30 CGEDMO C[C@H](C1CCCCC1)[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598615681 347671675 /nfs/dbraw/zinc/67/16/75/347671675.db2.gz RLUPBUPRUKUTEX-UKRRQHHQSA-N 1 1 266.429 3.188 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCCC2(CCCC2)CC1 ZINC000598626164 347672388 /nfs/dbraw/zinc/67/23/88/347672388.db2.gz ZWURHWOEAJHWRP-OAHLLOKOSA-N 1 1 278.440 3.333 20 30 CGEDMO COc1ccc([C@@H]2CC[N@H+]([C@H](C)CCC#N)C2)cc1F ZINC000599680560 347765024 /nfs/dbraw/zinc/76/50/24/347765024.db2.gz RXOARYVCYQVHDQ-TZMCWYRMSA-N 1 1 276.355 3.316 20 30 CGEDMO CC(C)CCOCC[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678380 347765173 /nfs/dbraw/zinc/76/51/73/347765173.db2.gz IOWAZJMMMVVELW-UHFFFAOYSA-N 1 1 286.419 3.173 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCc3ccc(O)cc3C2)cc1C#N ZINC000599329413 347736008 /nfs/dbraw/zinc/73/60/08/347736008.db2.gz JHZWNWPUQRIHBB-UHFFFAOYSA-N 1 1 278.355 3.131 20 30 CGEDMO Cc1ccc(C[N@H+]2CCc3ccc(O)cc3C2)cc1C#N ZINC000599329413 347736012 /nfs/dbraw/zinc/73/60/12/347736012.db2.gz JHZWNWPUQRIHBB-UHFFFAOYSA-N 1 1 278.355 3.131 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)cc1C#N ZINC000599352585 347738147 /nfs/dbraw/zinc/73/81/47/347738147.db2.gz DHJOPPQHPICXPJ-SJORKVTESA-N 1 1 286.419 3.096 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@@H](c3ccncc3)C2)cc1C#N ZINC000599430469 347743982 /nfs/dbraw/zinc/74/39/82/347743982.db2.gz SNMHYCIVTNAJKR-QGZVFWFLSA-N 1 1 277.371 3.251 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCC[C@@H](OC(C)C)C2)cc1C#N ZINC000599451246 347746288 /nfs/dbraw/zinc/74/62/88/347746288.db2.gz UQRWDMBXQJVVPE-QGZVFWFLSA-N 1 1 272.392 3.256 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cc(O)ccc2Cl)C1 ZINC000599470593 347747617 /nfs/dbraw/zinc/74/76/17/347747617.db2.gz UBMZUFUHYLTHGM-LLVKDONJSA-N 1 1 264.756 3.171 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2cc(O)ccc2Cl)C1 ZINC000599470593 347747620 /nfs/dbraw/zinc/74/76/20/347747620.db2.gz UBMZUFUHYLTHGM-LLVKDONJSA-N 1 1 264.756 3.171 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599553377 347754334 /nfs/dbraw/zinc/75/43/34/347754334.db2.gz ROQRYWCZHQATLQ-OLZOCXBDSA-N 1 1 252.427 3.286 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(OC)c(OC2CC2)c1 ZINC000600152084 347785514 /nfs/dbraw/zinc/78/55/14/347785514.db2.gz QSSQELHNFISOGA-ZDUSSCGKSA-N 1 1 274.364 3.018 20 30 CGEDMO C[C@@]1(C[N@@H+]2Cc3cccc(C#N)c3C2)CCCS1 ZINC000600176964 347789488 /nfs/dbraw/zinc/78/94/88/347789488.db2.gz NJXBGYDCZILUDP-HNNXBMFYSA-N 1 1 258.390 3.160 20 30 CGEDMO C[C@@]1(C[N@H+]2Cc3cccc(C#N)c3C2)CCCS1 ZINC000600176964 347789492 /nfs/dbraw/zinc/78/94/92/347789492.db2.gz NJXBGYDCZILUDP-HNNXBMFYSA-N 1 1 258.390 3.160 20 30 CGEDMO CN(C)c1c(F)c(F)ccc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000600176764 347789671 /nfs/dbraw/zinc/78/96/71/347789671.db2.gz GMAZKMRXRXQKQH-GFCCVEGCSA-N 1 1 293.361 3.156 20 30 CGEDMO CN(C)c1c(F)c(F)ccc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000600176764 347789673 /nfs/dbraw/zinc/78/96/73/347789673.db2.gz GMAZKMRXRXQKQH-GFCCVEGCSA-N 1 1 293.361 3.156 20 30 CGEDMO COc1cccc(OC)c1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000602437513 347957799 /nfs/dbraw/zinc/95/77/99/347957799.db2.gz AVDWCHPLDBETQE-UHFFFAOYSA-N 1 1 296.370 3.207 20 30 CGEDMO COc1cccc(OC)c1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000602437513 347957802 /nfs/dbraw/zinc/95/78/02/347957802.db2.gz AVDWCHPLDBETQE-UHFFFAOYSA-N 1 1 296.370 3.207 20 30 CGEDMO COc1cccc([C@@H]2C[N@H+](C[C@@H](C)CCC#N)CCO2)c1 ZINC000602461949 347962224 /nfs/dbraw/zinc/96/22/24/347962224.db2.gz JEAYCRMLHGIYBN-YOEHRIQHSA-N 1 1 288.391 3.008 20 30 CGEDMO COc1cccc([C@@H]2C[N@@H+](C[C@@H](C)CCC#N)CCO2)c1 ZINC000602461949 347962225 /nfs/dbraw/zinc/96/22/25/347962225.db2.gz JEAYCRMLHGIYBN-YOEHRIQHSA-N 1 1 288.391 3.008 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000602469237 347963893 /nfs/dbraw/zinc/96/38/93/347963893.db2.gz RRNKVHXSPFZWBF-SJORKVTESA-N 1 1 285.435 3.133 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC3(C2)CCCCC3)n1 ZINC000602478517 347966427 /nfs/dbraw/zinc/96/64/27/347966427.db2.gz ZITOVMOHSXHRIO-UHFFFAOYSA-N 1 1 255.365 3.109 20 30 CGEDMO N#CC1CCC(Nc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000602495523 347969565 /nfs/dbraw/zinc/96/95/65/347969565.db2.gz ZTSMYAKDCFVKQT-UHFFFAOYSA-N 1 1 299.418 3.013 20 30 CGEDMO CCC(CC)[C@H](C[NH2+]C[C@@H](C)CCC#N)N1CCCC1 ZINC000602509364 347972914 /nfs/dbraw/zinc/97/29/14/347972914.db2.gz GJYXDPUHGCWATM-RDJZCZTQSA-N 1 1 279.472 3.416 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000602585129 347988807 /nfs/dbraw/zinc/98/88/07/347988807.db2.gz NLUZKWRXCSYXKT-SNVBAGLBSA-N 1 1 270.298 3.476 20 30 CGEDMO N#CCC1(C[N@H+]2CCSC3(CCCCC3)C2)CC1 ZINC000602782123 348028349 /nfs/dbraw/zinc/02/83/49/348028349.db2.gz VNXJDQZUCWZFPF-UHFFFAOYSA-N 1 1 264.438 3.432 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C)CCCOCc1ccccc1 ZINC000602656120 348001950 /nfs/dbraw/zinc/00/19/50/348001950.db2.gz MOCVUFMEYYTRIW-INIZCTEOSA-N 1 1 274.408 3.465 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](CCN(C)C)Cc1ccc(F)cc1 ZINC000602657621 348002810 /nfs/dbraw/zinc/00/28/10/348002810.db2.gz OXARLVZJMNKZHP-HNNXBMFYSA-N 1 1 291.414 3.129 20 30 CGEDMO C[C@@H](CCC#N)CN(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000602657621 348002811 /nfs/dbraw/zinc/00/28/11/348002811.db2.gz OXARLVZJMNKZHP-HNNXBMFYSA-N 1 1 291.414 3.129 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000602663463 348003535 /nfs/dbraw/zinc/00/35/35/348003535.db2.gz COKOCUMZNHMNCT-HZPDHXFCSA-N 1 1 296.418 3.441 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000602673171 348006027 /nfs/dbraw/zinc/00/60/27/348006027.db2.gz OXSQQMACLCPEOK-LSDHHAIUSA-N 1 1 289.398 3.276 20 30 CGEDMO N#CCC1(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000602788761 348028986 /nfs/dbraw/zinc/02/89/86/348028986.db2.gz QMIVYOALBHEVPR-CQSZACIVSA-N 1 1 258.340 3.309 20 30 CGEDMO COc1cccc(C)c1C[NH2+]CC1(C#N)CCCC1 ZINC000602700894 348012995 /nfs/dbraw/zinc/01/29/95/348012995.db2.gz XGPZFXLHJVFXAT-UHFFFAOYSA-N 1 1 258.365 3.177 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000602708311 348014402 /nfs/dbraw/zinc/01/44/02/348014402.db2.gz ZLLQYJRSSNYYNS-IRXDYDNUSA-N 1 1 283.419 3.139 20 30 CGEDMO CC(C)CCO[C@@H]1CC[N@@H+](C[C@@H](C)CCC#N)C1 ZINC000602714361 348015756 /nfs/dbraw/zinc/01/57/56/348015756.db2.gz HOCKQIRKTCOTJV-LSDHHAIUSA-N 1 1 252.402 3.063 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CC2(CCOCC2)[C@H]1c1ccco1 ZINC000602720398 348017201 /nfs/dbraw/zinc/01/72/01/348017201.db2.gz ZOWQILLNJRYEBV-GOEBONIOSA-N 1 1 288.391 3.373 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000602729398 348020217 /nfs/dbraw/zinc/02/02/17/348020217.db2.gz JYPJCMHIIHNKTJ-CQSZACIVSA-N 1 1 267.376 3.051 20 30 CGEDMO CCC1([NH+]2CCCC2)CCN(C[C@@H](C)CCC#N)CC1 ZINC000602733246 348021107 /nfs/dbraw/zinc/02/11/07/348021107.db2.gz MNNFPTVSNOCQIJ-INIZCTEOSA-N 1 1 277.456 3.267 20 30 CGEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCO[C@@H]1C ZINC000602769093 348026112 /nfs/dbraw/zinc/02/61/12/348026112.db2.gz MRSXVFOUCZJTFG-HIFRSBDPSA-N 1 1 290.363 3.008 20 30 CGEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCO[C@H]1C ZINC000602770104 348026394 /nfs/dbraw/zinc/02/63/94/348026394.db2.gz VRNQMXCJRNLCHS-YOEHRIQHSA-N 1 1 272.392 3.194 20 30 CGEDMO N#CCC1(C[N@@H+]2CC[C@@H](Oc3ccccc3Cl)C2)CC1 ZINC000602802458 348031340 /nfs/dbraw/zinc/03/13/40/348031340.db2.gz UKSCNLRQZJBPGD-CYBMUJFWSA-N 1 1 290.794 3.487 20 30 CGEDMO N#CCC1(C[N@H+]2Cc3ccccc3C3(CC3)C2)CC1 ZINC000602815194 348032841 /nfs/dbraw/zinc/03/28/41/348032841.db2.gz DRIARUXLPXWJBR-UHFFFAOYSA-N 1 1 252.361 3.228 20 30 CGEDMO C[C@@H]1CCCC[C@@H]1OCC[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602975867 348048555 /nfs/dbraw/zinc/04/85/55/348048555.db2.gz IDOPQXTUWYTLSG-WCVJEAGWSA-N 1 1 264.413 3.206 20 30 CGEDMO C[C@@H]1CCCC[C@@H]1OCC[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602975867 348048557 /nfs/dbraw/zinc/04/85/57/348048557.db2.gz IDOPQXTUWYTLSG-WCVJEAGWSA-N 1 1 264.413 3.206 20 30 CGEDMO C[N@@H+](Cc1cccc2cccnc21)[C@H]1CCC[C@H]1C#N ZINC000602977186 348049012 /nfs/dbraw/zinc/04/90/12/348049012.db2.gz YXQUDSQLGZSWET-HOCLYGCPSA-N 1 1 265.360 3.359 20 30 CGEDMO COc1ccc(OCCC[N@@H+](C)[C@@H]2CCC[C@H]2C#N)cc1 ZINC000602976842 348049024 /nfs/dbraw/zinc/04/90/24/348049024.db2.gz UGDAMWYOIQDROX-WMLDXEAASA-N 1 1 288.391 3.088 20 30 CGEDMO C[N@H+](Cc1cc2ccccc2[nH]c1=O)[C@@H]1CCC[C@@H]1C#N ZINC000602978855 348049404 /nfs/dbraw/zinc/04/94/04/348049404.db2.gz XNNHXAHSVHDESI-CZUORRHYSA-N 1 1 281.359 3.064 20 30 CGEDMO C[N@@H+](Cc1cc2ccccc2[nH]c1=O)[C@@H]1CCC[C@@H]1C#N ZINC000602978855 348049405 /nfs/dbraw/zinc/04/94/05/348049405.db2.gz XNNHXAHSVHDESI-CZUORRHYSA-N 1 1 281.359 3.064 20 30 CGEDMO COc1ccccc1CCC[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602980401 348050247 /nfs/dbraw/zinc/05/02/47/348050247.db2.gz PUHQLUNODFLSNX-CVEARBPZSA-N 1 1 272.392 3.252 20 30 CGEDMO C=CCCCCCN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000606881178 348204187 /nfs/dbraw/zinc/20/41/87/348204187.db2.gz JCVRFLGVXBLKGE-QGZVFWFLSA-N 1 1 288.435 3.494 20 30 CGEDMO CC#CC[N@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000607726903 348258302 /nfs/dbraw/zinc/25/83/02/348258302.db2.gz HDOWINCHEDUXJY-HNNXBMFYSA-N 1 1 252.361 3.371 20 30 CGEDMO C=CC[N@@H+](CCOC[C@@H]1CCCO1)CC1CCCCC1 ZINC000607358234 348235003 /nfs/dbraw/zinc/23/50/03/348235003.db2.gz FGNPOPINCBSNIJ-KRWDZBQOSA-N 1 1 281.440 3.250 20 30 CGEDMO CC(C)[N@H+](C)CC1CCN(Cc2ccccc2C#N)CC1 ZINC000609133419 348336946 /nfs/dbraw/zinc/33/69/46/348336946.db2.gz APCKLXYMICEYQH-UHFFFAOYSA-N 1 1 285.435 3.110 20 30 CGEDMO CC(C)[N@@H+](C)CC1CCN(Cc2ccccc2C#N)CC1 ZINC000609133419 348336949 /nfs/dbraw/zinc/33/69/49/348336949.db2.gz APCKLXYMICEYQH-UHFFFAOYSA-N 1 1 285.435 3.110 20 30 CGEDMO CC[N@H+](Cc1ccccc1C(C)(C)C#N)C[C@H]1CCOC1 ZINC000610859528 348406860 /nfs/dbraw/zinc/40/68/60/348406860.db2.gz HBGRCVRMLMRORY-OAHLLOKOSA-N 1 1 286.419 3.346 20 30 CGEDMO C=CC[N@H+](Cc1cccc(C#N)c1)Cc1ccnc(C#N)c1 ZINC000610991401 348414395 /nfs/dbraw/zinc/41/43/95/348414395.db2.gz ICWAJNJJMAYVPM-UHFFFAOYSA-N 1 1 288.354 3.013 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)Cc1ccnc(C#N)c1 ZINC000610991401 348414398 /nfs/dbraw/zinc/41/43/98/348414398.db2.gz ICWAJNJJMAYVPM-UHFFFAOYSA-N 1 1 288.354 3.013 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)ccn1 ZINC000610993171 348414872 /nfs/dbraw/zinc/41/48/72/348414872.db2.gz GCLGXKJOOGCBIW-QGZVFWFLSA-N 1 1 295.411 3.243 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCSC[C@@H]2c2ccccc2)ccn1 ZINC000610993171 348414873 /nfs/dbraw/zinc/41/48/73/348414873.db2.gz GCLGXKJOOGCBIW-QGZVFWFLSA-N 1 1 295.411 3.243 20 30 CGEDMO CC[C@H]1c2ccccc2CC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000610993371 348415479 /nfs/dbraw/zinc/41/54/79/348415479.db2.gz OXBMAKUAVSFUPK-SFHVURJKSA-N 1 1 277.371 3.463 20 30 CGEDMO N#Cc1ccc(F)cc1C[NH+]1CCC(c2cccnc2)CC1 ZINC000611258983 348432094 /nfs/dbraw/zinc/43/20/94/348432094.db2.gz RSFKUSCPWDJIRL-UHFFFAOYSA-N 1 1 295.361 3.472 20 30 CGEDMO C[C@@H](C#N)C[N@H+](C[C@H]1CCOc2ccccc21)C1CC1 ZINC000611276075 348433860 /nfs/dbraw/zinc/43/38/60/348433860.db2.gz HVMLACKDRGPHFX-UONOGXRCSA-N 1 1 270.376 3.177 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C[C@H]1CCOc2ccccc21)C1CC1 ZINC000611276075 348433865 /nfs/dbraw/zinc/43/38/65/348433865.db2.gz HVMLACKDRGPHFX-UONOGXRCSA-N 1 1 270.376 3.177 20 30 CGEDMO C[C@H]([NH2+]Cc1ccccc1C#N)c1cccc(C#N)c1 ZINC000611119156 348423492 /nfs/dbraw/zinc/42/34/92/348423492.db2.gz BLJUZHNWFBHTGI-ZDUSSCGKSA-N 1 1 261.328 3.281 20 30 CGEDMO CC[C@@H](C)[N@H+](C)CCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611391856 348445167 /nfs/dbraw/zinc/44/51/67/348445167.db2.gz BUGGQOQRTBERHS-RDTXWAMCSA-N 1 1 285.435 3.256 20 30 CGEDMO CC[C@@H](C)[N@@H+](C)CCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611391856 348445169 /nfs/dbraw/zinc/44/51/69/348445169.db2.gz BUGGQOQRTBERHS-RDTXWAMCSA-N 1 1 285.435 3.256 20 30 CGEDMO Cc1cc(C[C@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)n[nH]1 ZINC000611394587 348446289 /nfs/dbraw/zinc/44/62/89/348446289.db2.gz RSWCQJFWJUWBSH-KPZWWZAWSA-N 1 1 294.402 3.188 20 30 CGEDMO C[C@H]1CC[N@@H+](CCCOc2cccc(C#N)c2)C[C@H]1F ZINC000611501474 348456054 /nfs/dbraw/zinc/45/60/54/348456054.db2.gz CMAXFVLHJQXMSE-XJKSGUPXSA-N 1 1 276.355 3.007 20 30 CGEDMO N#CCCC[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000611527009 348458906 /nfs/dbraw/zinc/45/89/06/348458906.db2.gz VCOORJKODOYWAV-UHFFFAOYSA-N 1 1 286.375 3.464 20 30 CGEDMO CCC[N@H+]1CC[C@@H](CNc2ncc(Cl)c(C)c2C#N)C1 ZINC000273424376 192144726 /nfs/dbraw/zinc/14/47/26/192144726.db2.gz ZLGMWGQAVKNUSO-LBPRGKRZSA-N 1 1 292.814 3.059 20 30 CGEDMO C[C@H](CC#N)[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000612584707 348529438 /nfs/dbraw/zinc/52/94/38/348529438.db2.gz XJWHOBYUQAGCJW-CQSZACIVSA-N 1 1 281.359 3.052 20 30 CGEDMO CC(C)(C)c1ccc(C#N)c(N[C@H]2CC[N@H+]3CCCC[C@@H]23)n1 ZINC000613412252 348598298 /nfs/dbraw/zinc/59/82/98/348598298.db2.gz RHWWJBIUFVGFQH-GJZGRUSLSA-N 1 1 298.434 3.289 20 30 CGEDMO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614159833 348653357 /nfs/dbraw/zinc/65/33/57/348653357.db2.gz SJXKELGYSRKDII-RHSMWYFYSA-N 1 1 286.419 3.487 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCOCC3(CC3)C2)cc1 ZINC000614182142 348656228 /nfs/dbraw/zinc/65/62/28/348656228.db2.gz GULKZGHGKIEPIW-UHFFFAOYSA-N 1 1 284.403 3.100 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@H](CCO)c1ccccc1 ZINC000614402351 348673655 /nfs/dbraw/zinc/67/36/55/348673655.db2.gz USHYNSWWMMZEDI-LJQANCHMSA-N 1 1 294.398 3.422 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000614963392 348703919 /nfs/dbraw/zinc/70/39/19/348703919.db2.gz CENGSUCMTPEWHZ-BXUZGUMPSA-N 1 1 280.318 3.323 20 30 CGEDMO CCc1ccccc1CC[N@H+]1CCC[C@](C)(C#N)C1 ZINC000618305239 349068195 /nfs/dbraw/zinc/06/81/95/349068195.db2.gz MFIPOVOWOZOUGN-QGZVFWFLSA-N 1 1 256.393 3.417 20 30 CGEDMO Cc1cc(C[N@@H+]2CCOc3ccccc3C2)ccc1C#N ZINC000618593614 349115728 /nfs/dbraw/zinc/11/57/28/349115728.db2.gz XFMZQTKZAMHKHX-UHFFFAOYSA-N 1 1 278.355 3.261 20 30 CGEDMO Cc1cc(C[N@H+]2CCOc3ccccc3C2)ccc1C#N ZINC000618593614 349115730 /nfs/dbraw/zinc/11/57/30/349115730.db2.gz XFMZQTKZAMHKHX-UHFFFAOYSA-N 1 1 278.355 3.261 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000618666138 349136192 /nfs/dbraw/zinc/13/61/92/349136192.db2.gz WBAYRZUYIKVPTA-RHSMWYFYSA-N 1 1 278.440 3.112 20 30 CGEDMO CCc1cc(N[C@@H]2CCc3cc(C#N)ccc32)nc(C)[nH+]1 ZINC000618694376 349145189 /nfs/dbraw/zinc/14/51/89/349145189.db2.gz AEWWSJWUTABIBN-MRXNPFEDSA-N 1 1 278.359 3.319 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@@H](C2CC2)O1 ZINC000619283103 349227275 /nfs/dbraw/zinc/22/72/75/349227275.db2.gz QGPSCUGQKBSDKN-KDOFPFPSSA-N 1 1 298.430 3.487 20 30 CGEDMO C=CCC(CC=C)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000620770896 349421998 /nfs/dbraw/zinc/42/19/98/349421998.db2.gz FIYAJIBLIPVUGU-SFHVURJKSA-N 1 1 298.430 3.146 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000625657534 350193546 /nfs/dbraw/zinc/19/35/46/350193546.db2.gz VSSCGCWZROJHRT-BBRMVZONSA-N 1 1 281.346 3.081 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2noc(-c3ccccc3C)n2)C1 ZINC000625699557 350197420 /nfs/dbraw/zinc/19/74/20/350197420.db2.gz AKJSJZUSHUNFOY-AWEZNQCLSA-N 1 1 283.375 3.443 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2noc(-c3ccccc3C)n2)C1 ZINC000625699557 350197423 /nfs/dbraw/zinc/19/74/23/350197423.db2.gz AKJSJZUSHUNFOY-AWEZNQCLSA-N 1 1 283.375 3.443 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2noc(-c3ccccc3C)n2)C1 ZINC000625699560 350197432 /nfs/dbraw/zinc/19/74/32/350197432.db2.gz AKJSJZUSHUNFOY-CQSZACIVSA-N 1 1 283.375 3.443 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2noc(-c3ccccc3C)n2)C1 ZINC000625699560 350197436 /nfs/dbraw/zinc/19/74/36/350197436.db2.gz AKJSJZUSHUNFOY-CQSZACIVSA-N 1 1 283.375 3.443 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000625701429 350198148 /nfs/dbraw/zinc/19/81/48/350198148.db2.gz JOERLSAWBXENPR-NSHDSACASA-N 1 1 270.298 3.498 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccn(-c3cccc(F)c3)n2)C1 ZINC000625699877 350198439 /nfs/dbraw/zinc/19/84/39/350198439.db2.gz DBBNBTLTQODNSL-CQSZACIVSA-N 1 1 285.366 3.409 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000625700675 350198548 /nfs/dbraw/zinc/19/85/48/350198548.db2.gz DXTXSEPUJAAEQG-CVEARBPZSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CCC(=O)c2ccc(OC)cc2)C1 ZINC000625703866 350200965 /nfs/dbraw/zinc/20/09/65/350200965.db2.gz UUIJRKIWOZOURP-AWEZNQCLSA-N 1 1 273.376 3.166 20 30 CGEDMO C=CCOCC[N@H+](CCOCC)[C@H]1CCc2ccccc21 ZINC000625977965 350239284 /nfs/dbraw/zinc/23/92/84/350239284.db2.gz AZHBNJPPSVXEER-SFHVURJKSA-N 1 1 289.419 3.215 20 30 CGEDMO CCC(O)(CC)C[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000626111068 350262166 /nfs/dbraw/zinc/26/21/66/350262166.db2.gz BFHCCPOLBDWRIQ-UHFFFAOYSA-N 1 1 279.811 3.174 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccccc2)o1 ZINC000123651109 187102933 /nfs/dbraw/zinc/10/29/33/187102933.db2.gz OLILZYIWYWFGLU-INIZCTEOSA-N 1 1 252.317 3.488 20 30 CGEDMO C=CC[N@@H+](Cc1nc2c(cccc2F)n1CC)C1CC1 ZINC000271533871 191197501 /nfs/dbraw/zinc/19/75/01/191197501.db2.gz XWULWCZTTAUTNS-UHFFFAOYSA-N 1 1 273.355 3.346 20 30 CGEDMO C=CC[N@H+](Cc1nc2c(cccc2F)n1CC)C1CC1 ZINC000271533871 191197503 /nfs/dbraw/zinc/19/75/03/191197503.db2.gz XWULWCZTTAUTNS-UHFFFAOYSA-N 1 1 273.355 3.346 20 30 CGEDMO COCC[C@@H]1CCCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000365267595 234092704 /nfs/dbraw/zinc/09/27/04/234092704.db2.gz XZAVBSHBAFVPLM-AWEZNQCLSA-N 1 1 290.382 3.336 20 30 CGEDMO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCc3c[nH]nc32)cc1 ZINC000271556200 191210557 /nfs/dbraw/zinc/21/05/57/191210557.db2.gz VTRFYSLTUWPIKX-SUMWQHHRSA-N 1 1 295.386 3.150 20 30 CGEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2cnn(C(C)C)c2)CC1 ZINC000153038668 188060357 /nfs/dbraw/zinc/06/03/57/188060357.db2.gz HOXKBUNWSUDQMA-OAHLLOKOSA-N 1 1 290.455 3.155 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000157370669 188312608 /nfs/dbraw/zinc/31/26/08/188312608.db2.gz VIPVUAQKWHSIGX-CYBMUJFWSA-N 1 1 256.374 3.457 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000157370669 188312610 /nfs/dbraw/zinc/31/26/10/188312610.db2.gz VIPVUAQKWHSIGX-CYBMUJFWSA-N 1 1 256.374 3.457 20 30 CGEDMO C[N@@H+](CCOc1ccccc1F)CCC(C)(C)C#N ZINC000157475683 188319585 /nfs/dbraw/zinc/31/95/85/188319585.db2.gz UVTNETCEPLRLMR-UHFFFAOYSA-N 1 1 264.344 3.076 20 30 CGEDMO C=CCc1cc(C[N@@H+](C)[C@@H](C)C2CC2)cc(OC)c1O ZINC000158049831 188354915 /nfs/dbraw/zinc/35/49/15/188354915.db2.gz VCUOAPZXOMVKLR-LBPRGKRZSA-N 1 1 275.392 3.360 20 30 CGEDMO N#Cc1c(F)cccc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000161893962 283075849 /nfs/dbraw/zinc/07/58/49/283075849.db2.gz FHCGYJJCROOEIO-CXAGYDPISA-N 1 1 299.393 3.150 20 30 CGEDMO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1F)c1ccccc1 ZINC000107682644 138358478 /nfs/dbraw/zinc/35/84/78/138358478.db2.gz FHIMUBOQHAFZAJ-UHFFFAOYSA-N 1 1 297.377 3.266 20 30 CGEDMO CCn1cc(CC[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cn1 ZINC000425532693 236258013 /nfs/dbraw/zinc/25/80/13/236258013.db2.gz JSQPNCDMAKJWRS-CQSZACIVSA-N 1 1 282.391 3.010 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000428247282 236384274 /nfs/dbraw/zinc/38/42/74/236384274.db2.gz TZTPAKPCODDWNZ-LRDDRELGSA-N 1 1 258.340 3.462 20 30 CGEDMO C[N@@H+](CCNc1nc2c(cc1C#N)CCC2)C1CCCCC1 ZINC000341542983 216007183 /nfs/dbraw/zinc/00/71/83/216007183.db2.gz GURNGHISVGZYFV-UHFFFAOYSA-N 1 1 298.434 3.118 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCOCC23CCCCC3)cc1F ZINC000451812947 240363368 /nfs/dbraw/zinc/36/33/68/240363368.db2.gz IABRIQOQGMYECN-UHFFFAOYSA-N 1 1 288.366 3.232 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCOCC23CCCCC3)cc1F ZINC000451812947 240363373 /nfs/dbraw/zinc/36/33/73/240363373.db2.gz IABRIQOQGMYECN-UHFFFAOYSA-N 1 1 288.366 3.232 20 30 CGEDMO CO[C@H]1C[C@H]([N@@H+](C)Cc2cc(C#N)ccc2F)C12CCC2 ZINC000451835464 240368353 /nfs/dbraw/zinc/36/83/53/240368353.db2.gz OMAQOKWZWXYLTC-HOTGVXAUSA-N 1 1 288.366 3.087 20 30 CGEDMO CC(C)(C)Oc1ccc(C[NH2+]Cc2ccc(C#N)o2)cn1 ZINC000180881103 189281571 /nfs/dbraw/zinc/28/15/71/189281571.db2.gz MBCCLKXFZMUOON-UHFFFAOYSA-N 1 1 285.347 3.013 20 30 CGEDMO N#Cc1cc(F)ccc1N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000301468593 201019889 /nfs/dbraw/zinc/01/98/89/201019889.db2.gz NJUWATVILSJZPB-INIZCTEOSA-N 1 1 287.382 3.374 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCNc2cc(C#N)nc3ccccc32)C1 ZINC000301494888 201028978 /nfs/dbraw/zinc/02/89/78/201028978.db2.gz AGVRXZZJVDNBGU-CQSZACIVSA-N 1 1 294.402 3.250 20 30 CGEDMO CC(C)C[N@H+]1CCC[C@@H](CNc2cccc(F)c2C#N)C1 ZINC000301801803 201206324 /nfs/dbraw/zinc/20/63/24/201206324.db2.gz WJDIALWVWZCBFK-AWEZNQCLSA-N 1 1 289.398 3.477 20 30 CGEDMO CC(=O)c1ccc(C#N)c(NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000302104886 201344875 /nfs/dbraw/zinc/34/48/75/201344875.db2.gz MYUFROUOAILAIR-ZIAGYGMSSA-N 1 1 299.418 3.293 20 30 CGEDMO CC(C)CO[C@@H]1CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000119906271 370721640 /nfs/dbraw/zinc/72/16/40/370721640.db2.gz ZJCJINVZMDEJNZ-CQSZACIVSA-N 1 1 252.402 3.063 20 30 CGEDMO C=CC[C@@H](C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000275363503 193010544 /nfs/dbraw/zinc/01/05/44/193010544.db2.gz TZWFTDFOTUFOPY-MAUKXSAKSA-N 1 1 298.430 3.113 20 30 CGEDMO Cc1ccc(C#N)cc1NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000275624723 193088738 /nfs/dbraw/zinc/08/87/38/193088738.db2.gz SNCOPZDRQOEQAI-MJBXVCDLSA-N 1 1 285.391 3.067 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1C[C@@H](C)CC[C@H]1C ZINC000121102244 370829356 /nfs/dbraw/zinc/82/93/56/370829356.db2.gz MLRYVILHZVDTAB-QWHCGFSZSA-N 1 1 258.365 3.187 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000121217891 370841550 /nfs/dbraw/zinc/84/15/50/370841550.db2.gz HBZZZOLCPIVSDX-OLZOCXBDSA-N 1 1 286.375 3.116 20 30 CGEDMO C=CC[N@H+](C)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000121220565 370841560 /nfs/dbraw/zinc/84/15/60/370841560.db2.gz YWZZFHFRFAJLJM-UHFFFAOYSA-N 1 1 257.333 3.028 20 30 CGEDMO CCCC[N@H+](CC)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459298499 242060285 /nfs/dbraw/zinc/06/02/85/242060285.db2.gz OWZKCQUQEFGYSD-UHFFFAOYSA-N 1 1 261.325 3.088 20 30 CGEDMO CCCC[N@@H+](CC)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459298499 242060290 /nfs/dbraw/zinc/06/02/90/242060290.db2.gz OWZKCQUQEFGYSD-UHFFFAOYSA-N 1 1 261.325 3.088 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H](SC)C1 ZINC000121518590 370868543 /nfs/dbraw/zinc/86/85/43/370868543.db2.gz SXEVAXSIGPDWEF-OAHLLOKOSA-N 1 1 290.432 3.284 20 30 CGEDMO CCC[C@@H](C)[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000486798015 243373547 /nfs/dbraw/zinc/37/35/47/243373547.db2.gz FLCQYQHJHUARKM-PBHICJAKSA-N 1 1 299.418 3.397 20 30 CGEDMO C[N@@H+](CC(=O)Nc1sccc1C#N)C1CCCCCC1 ZINC000014705145 368684511 /nfs/dbraw/zinc/68/45/11/368684511.db2.gz UDNPXEZXEAUHCT-UHFFFAOYSA-N 1 1 291.420 3.213 20 30 CGEDMO COc1cc(C[N@@H+](C)CC(C)(C)CCC#N)ccc1O ZINC000126004678 370942690 /nfs/dbraw/zinc/94/26/90/370942690.db2.gz CKCZLGVDEUMEDE-UHFFFAOYSA-N 1 1 276.380 3.163 20 30 CGEDMO CC(C)(C#N)CCC[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000126866251 370947765 /nfs/dbraw/zinc/94/77/65/370947765.db2.gz CDQQBLDESGLVAK-INIZCTEOSA-N 1 1 288.391 3.095 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000126866251 370947771 /nfs/dbraw/zinc/94/77/71/370947771.db2.gz CDQQBLDESGLVAK-INIZCTEOSA-N 1 1 288.391 3.095 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCCNCc1ccc(C#N)cc1F ZINC000020047912 368795912 /nfs/dbraw/zinc/79/59/12/368795912.db2.gz WAZXVYPGVWIBIE-CQSZACIVSA-N 1 1 289.398 3.051 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCCNCc1ccc(C#N)cc1F ZINC000020047915 368796069 /nfs/dbraw/zinc/79/60/69/368796069.db2.gz WAZXVYPGVWIBIE-AWEZNQCLSA-N 1 1 289.398 3.051 20 30 CGEDMO C[C@@H]1CCC[C@H]([N@@H+](C)CC(=O)Nc2sccc2C#N)C1 ZINC000026469560 368859663 /nfs/dbraw/zinc/85/96/63/368859663.db2.gz QXPWCFRKNABRNX-YPMHNXCESA-N 1 1 291.420 3.069 20 30 CGEDMO C[N@@H+](CCc1ccccc1)Cc1cccc(C#N)c1 ZINC000033803596 368967578 /nfs/dbraw/zinc/96/75/78/368967578.db2.gz UIPXZOWTBIEORV-UHFFFAOYSA-N 1 1 250.345 3.233 20 30 CGEDMO C[N@H+](Cc1ccc(F)cc1)Cc1ccc(C#N)cc1F ZINC000042316471 369213786 /nfs/dbraw/zinc/21/37/86/369213786.db2.gz WNNWJYUVDUKLGU-UHFFFAOYSA-N 1 1 272.298 3.468 20 30 CGEDMO C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(C#N)cc1F ZINC000042316471 369213790 /nfs/dbraw/zinc/21/37/90/369213790.db2.gz WNNWJYUVDUKLGU-UHFFFAOYSA-N 1 1 272.298 3.468 20 30 CGEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000042268010 369209164 /nfs/dbraw/zinc/20/91/64/369209164.db2.gz HZDOEZXHNHDPCF-UHFFFAOYSA-N 1 1 266.344 3.199 20 30 CGEDMO C[N@@H+](Cc1ccccc1)C1CN(c2cccc(F)c2C#N)C1 ZINC000343596757 216840130 /nfs/dbraw/zinc/84/01/30/216840130.db2.gz AIUCZLKNPYKBKW-UHFFFAOYSA-N 1 1 295.361 3.018 20 30 CGEDMO C=CC[NH+](CC=C)CC(=O)N(Cc1ccccc1)C(C)C ZINC000046438323 369293441 /nfs/dbraw/zinc/29/34/41/369293441.db2.gz NLQSRSKAJSNEMQ-UHFFFAOYSA-N 1 1 286.419 3.098 20 30 CGEDMO C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)CC1CCCCC1 ZINC000049011294 369381320 /nfs/dbraw/zinc/38/13/20/369381320.db2.gz KKXHCDLNOQURKU-QGZVFWFLSA-N 1 1 272.392 3.104 20 30 CGEDMO CCC[N@@H+](CCC(=O)Nc1ccccc1C#N)CC1CC1 ZINC000048993392 369381572 /nfs/dbraw/zinc/38/15/72/369381572.db2.gz KMEBXWLCNLPWTI-UHFFFAOYSA-N 1 1 285.391 3.009 20 30 CGEDMO CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000048336914 369342206 /nfs/dbraw/zinc/34/22/06/369342206.db2.gz UQBRIFRJXIKRML-ZDUSSCGKSA-N 1 1 285.391 3.007 20 30 CGEDMO CCC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000048336915 369342241 /nfs/dbraw/zinc/34/22/41/369342241.db2.gz UQBRIFRJXIKRML-CYBMUJFWSA-N 1 1 285.391 3.007 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC000129533887 370991172 /nfs/dbraw/zinc/99/11/72/370991172.db2.gz RLAWSZZLGSTJIZ-GOSISDBHSA-N 1 1 294.398 3.220 20 30 CGEDMO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000057622659 369544055 /nfs/dbraw/zinc/54/40/55/369544055.db2.gz AEOQUSBGEUJEQX-KRWDZBQOSA-N 1 1 265.360 3.234 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)Nc1c(C)cccc1CC ZINC000276349825 193296015 /nfs/dbraw/zinc/29/60/15/193296015.db2.gz DCBSBCAVOZLYKL-UHFFFAOYSA-N 1 1 260.381 3.004 20 30 CGEDMO CC[C@@H]1C[C@@H](C)C[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000330956644 203418207 /nfs/dbraw/zinc/41/82/07/203418207.db2.gz VABIQMUCZHBJPQ-DGCLKSJQSA-N 1 1 291.420 3.069 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000276394940 193314156 /nfs/dbraw/zinc/31/41/56/193314156.db2.gz JQBBSCFZVPZVQB-CJNGLKHVSA-N 1 1 297.826 3.286 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000276468765 193344387 /nfs/dbraw/zinc/34/43/87/193344387.db2.gz RHIREVNEALBFSE-LBPRGKRZSA-N 1 1 280.799 3.483 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000076733889 369941073 /nfs/dbraw/zinc/94/10/73/369941073.db2.gz YZMRJHXDEJMQLK-CQSZACIVSA-N 1 1 297.402 3.460 20 30 CGEDMO N#CCC[C@@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000090664773 370063190 /nfs/dbraw/zinc/06/31/90/370063190.db2.gz YSKCGWHQUKCFGC-KZNAEPCWSA-N 1 1 283.419 3.248 20 30 CGEDMO COc1ccc(C[N@@H+](C)CCc2cccs2)cc1C#N ZINC000093268159 370114114 /nfs/dbraw/zinc/11/41/14/370114114.db2.gz CVQRLANRCUWLBN-UHFFFAOYSA-N 1 1 286.400 3.303 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)CCCOC)cc1Cl ZINC000092536922 370098273 /nfs/dbraw/zinc/09/82/73/370098273.db2.gz PIHZNGCEJUASFV-UHFFFAOYSA-N 1 1 283.799 3.373 20 30 CGEDMO C=C(Cl)CN(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820878 370104190 /nfs/dbraw/zinc/10/41/90/370104190.db2.gz QARPZBYFPDWFSN-UHFFFAOYSA-N 1 1 293.842 3.372 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](COCC)C1 ZINC000093419165 370128028 /nfs/dbraw/zinc/12/80/28/370128028.db2.gz TZVILTZEHJENNQ-MRXNPFEDSA-N 1 1 289.419 3.500 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)cs1)[C@@H](CCO)c1ccccc1 ZINC000093442767 370130580 /nfs/dbraw/zinc/13/05/80/370130580.db2.gz FEZLYRYDVVNURJ-INIZCTEOSA-N 1 1 286.400 3.175 20 30 CGEDMO C=CCc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)cc(OC)c1O ZINC000093443128 370130910 /nfs/dbraw/zinc/13/09/10/370130910.db2.gz CBIZIFPOUKWBBR-IYBDPMFKSA-N 1 1 287.403 3.361 20 30 CGEDMO C[C@H]1CCC[C@H](C)[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000093509186 370137765 /nfs/dbraw/zinc/13/77/65/370137765.db2.gz UZLYGOLTOFVYBD-KBPBESRZSA-N 1 1 282.391 3.216 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCc3ccccc3C2)c1F ZINC000219508018 376200927 /nfs/dbraw/zinc/20/09/27/376200927.db2.gz FLMQUYSKRAEUOA-UHFFFAOYSA-N 1 1 266.319 3.256 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCc3ccccc3C2)c1F ZINC000219508018 376200935 /nfs/dbraw/zinc/20/09/35/376200935.db2.gz FLMQUYSKRAEUOA-UHFFFAOYSA-N 1 1 266.319 3.256 20 30 CGEDMO C[C@@]1(c2ccccc2)CCC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000113517976 370476663 /nfs/dbraw/zinc/47/66/63/370476663.db2.gz BHLALPREYDNGTH-FUHWJXTLSA-N 1 1 281.403 3.484 20 30 CGEDMO C[C@@]1(c2ccccc2)CCC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000113517976 370476668 /nfs/dbraw/zinc/47/66/68/370476668.db2.gz BHLALPREYDNGTH-FUHWJXTLSA-N 1 1 281.403 3.484 20 30 CGEDMO C=C(C)C[N@@H+](CC)[C@H](C)c1nc(-c2cccnc2)no1 ZINC000113499250 370476823 /nfs/dbraw/zinc/47/68/23/370476823.db2.gz ZWQKTOXQXURVLT-GFCCVEGCSA-N 1 1 272.352 3.091 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)c1nc(-c2cccnc2)no1 ZINC000113499250 370476828 /nfs/dbraw/zinc/47/68/28/370476828.db2.gz ZWQKTOXQXURVLT-GFCCVEGCSA-N 1 1 272.352 3.091 20 30 CGEDMO CCCCC[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000117875246 370601122 /nfs/dbraw/zinc/60/11/22/370601122.db2.gz PWPIANVHBLBOPG-UHFFFAOYSA-N 1 1 260.381 3.197 20 30 CGEDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000130349833 371027722 /nfs/dbraw/zinc/02/77/22/371027722.db2.gz NCHLIRLAWQUZHS-DLBZAZTESA-N 1 1 291.822 3.317 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](CC(C)C)C(C)C ZINC000130439829 371033197 /nfs/dbraw/zinc/03/31/97/371033197.db2.gz PTTXEABIKNSOQV-UHFFFAOYSA-N 1 1 260.381 3.433 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1C[C@H](C)CC[C@H]1C ZINC000130476986 371037033 /nfs/dbraw/zinc/03/70/33/371037033.db2.gz MGHCWMNKNHNKCE-CHWSQXEVSA-N 1 1 258.365 3.187 20 30 CGEDMO CCCn1nc(C)c(C[N@@H+](C)Cc2ccc(C#N)cc2)c1C ZINC000131159702 371087320 /nfs/dbraw/zinc/08/73/20/371087320.db2.gz MJIHUZBQBJGRKO-UHFFFAOYSA-N 1 1 296.418 3.414 20 30 CGEDMO N#Cc1ccccc1OCC[N@H+]1CCc2ccsc2C1 ZINC000132976224 371216276 /nfs/dbraw/zinc/21/62/76/371216276.db2.gz KAVJLJSWLIVMHJ-UHFFFAOYSA-N 1 1 284.384 3.057 20 30 CGEDMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000134228657 371312892 /nfs/dbraw/zinc/31/28/92/371312892.db2.gz RRKKLFOAHVDUOT-IFXJQAMLSA-N 1 1 292.382 3.382 20 30 CGEDMO N#CCCC[N@@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000134845806 371368414 /nfs/dbraw/zinc/36/84/14/371368414.db2.gz QGLRSYMRZNCIBE-OAHLLOKOSA-N 1 1 274.339 3.167 20 30 CGEDMO CS[C@@H]1CCCC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000134541140 371347833 /nfs/dbraw/zinc/34/78/33/371347833.db2.gz WUTYKAWKVXEHJS-MRXNPFEDSA-N 1 1 290.432 3.155 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2cccc(Br)c2)o1 ZINC000135167186 371397003 /nfs/dbraw/zinc/39/70/03/371397003.db2.gz GVPZCZGBDYTQAC-UHFFFAOYSA-N 1 1 291.148 3.204 20 30 CGEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)cc1C#N ZINC000134959164 371379697 /nfs/dbraw/zinc/37/96/97/371379697.db2.gz QJOLLVTUUDODPV-UHFFFAOYSA-N 1 1 291.354 3.071 20 30 CGEDMO Cc1ccc(C#N)c(N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000286528772 371513398 /nfs/dbraw/zinc/51/33/98/371513398.db2.gz CIPXZOFJFXIKSY-HOCLYGCPSA-N 1 1 298.434 3.327 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000287389432 371649732 /nfs/dbraw/zinc/64/97/32/371649732.db2.gz NJFOWXILAMZLRB-CYBMUJFWSA-N 1 1 261.369 3.440 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000287389432 371649739 /nfs/dbraw/zinc/64/97/39/371649739.db2.gz NJFOWXILAMZLRB-CYBMUJFWSA-N 1 1 261.369 3.440 20 30 CGEDMO COc1ccccc1CC[N@@H+](C)Cc1ccccc1C#N ZINC000353330501 220028525 /nfs/dbraw/zinc/02/85/25/220028525.db2.gz PWWAZMNIUMGMAZ-UHFFFAOYSA-N 1 1 280.371 3.241 20 30 CGEDMO Cc1cccc2nc(C[NH2+]CC(C)(C)CCC#N)[nH]c21 ZINC000153593022 371777204 /nfs/dbraw/zinc/77/72/04/371777204.db2.gz HKDSSTLQSVQMGC-UHFFFAOYSA-N 1 1 270.380 3.291 20 30 CGEDMO C=C(C)CCNc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000288628442 371741079 /nfs/dbraw/zinc/74/10/79/371741079.db2.gz AOIWNBGPCILPCN-OAHLLOKOSA-N 1 1 274.408 3.458 20 30 CGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000344040308 217023060 /nfs/dbraw/zinc/02/30/60/217023060.db2.gz HFXNPLZGDKZAQW-KBPBESRZSA-N 1 1 299.418 3.253 20 30 CGEDMO C=CCC[C@H](NC(=O)C[N@H+](CC)C1CC1)c1ccccc1 ZINC000154087146 371816614 /nfs/dbraw/zinc/81/66/14/371816614.db2.gz GCRCQUHLGPRKGE-KRWDZBQOSA-N 1 1 286.419 3.294 20 30 CGEDMO CCC(CC)[N@@H+](CC)CC(=O)Nc1cccc(C#N)c1 ZINC000344050158 217028912 /nfs/dbraw/zinc/02/89/12/217028912.db2.gz ZTZGFOKKMDUGFH-UHFFFAOYSA-N 1 1 273.380 3.007 20 30 CGEDMO C=CCC[C@@H](CC)[NH2+][C@@H](C)c1noc(COCC)n1 ZINC000290178964 371924201 /nfs/dbraw/zinc/92/42/01/371924201.db2.gz NJEWXGIXGARWBX-NWDGAFQWSA-N 1 1 267.373 3.002 20 30 CGEDMO CC#CCC[N@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000156529361 371982636 /nfs/dbraw/zinc/98/26/36/371982636.db2.gz LALJEOHDZYMMNZ-SFHVURJKSA-N 1 1 264.372 3.307 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000156559657 371985213 /nfs/dbraw/zinc/98/52/13/371985213.db2.gz QKOMBHXCCZAGBA-CYBMUJFWSA-N 1 1 253.386 3.006 20 30 CGEDMO CCCCCCCC[N@H+]1CCC[C@@H]1c1nncn1C ZINC000156664233 371989793 /nfs/dbraw/zinc/98/97/93/371989793.db2.gz YYUTYTVSQIVUDB-CQSZACIVSA-N 1 1 264.417 3.313 20 30 CGEDMO CC[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(C#N)o1 ZINC000290622369 372030540 /nfs/dbraw/zinc/03/05/40/372030540.db2.gz XJKKCYYHNRFERV-HNNXBMFYSA-N 1 1 255.321 3.129 20 30 CGEDMO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000290622369 372030546 /nfs/dbraw/zinc/03/05/46/372030546.db2.gz XJKKCYYHNRFERV-HNNXBMFYSA-N 1 1 255.321 3.129 20 30 CGEDMO C[N@@H+](CCc1ccccc1O)Cc1cccc(C#N)c1F ZINC000344203260 217097470 /nfs/dbraw/zinc/09/74/70/217097470.db2.gz DVSPGSTVSINQLZ-UHFFFAOYSA-N 1 1 284.334 3.077 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(OCC(=O)OCC)cc1 ZINC000159006790 372099412 /nfs/dbraw/zinc/09/94/12/372099412.db2.gz RQWXGTWJCWOKDV-UHFFFAOYSA-N 1 1 291.391 3.027 20 30 CGEDMO CC[C@]1(C)CC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000344241019 217113791 /nfs/dbraw/zinc/11/37/91/217113791.db2.gz RRFTYHAPPVBPTK-MRXNPFEDSA-N 1 1 258.365 3.059 20 30 CGEDMO CC[C@]1(C)CC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000344238642 217113917 /nfs/dbraw/zinc/11/39/17/217113917.db2.gz AOHIKWCOIHMJOA-MRXNPFEDSA-N 1 1 258.365 3.059 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc2nc(C)sc2c1 ZINC000426363302 372153975 /nfs/dbraw/zinc/15/39/75/372153975.db2.gz VKKSQZNKWUDKCU-GFCCVEGCSA-N 1 1 259.378 3.387 20 30 CGEDMO C=C[C@H](CO)[NH2+][C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000291304443 372157379 /nfs/dbraw/zinc/15/73/79/372157379.db2.gz SQSOWJSTQNNQOP-WDEREUQCSA-N 1 1 292.379 3.147 20 30 CGEDMO C=CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159273011 372125779 /nfs/dbraw/zinc/12/57/79/372125779.db2.gz VJOGCYMZOWDWCQ-MSOLQXFVSA-N 1 1 270.420 3.159 20 30 CGEDMO C=CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159273011 372125783 /nfs/dbraw/zinc/12/57/83/372125783.db2.gz VJOGCYMZOWDWCQ-MSOLQXFVSA-N 1 1 270.420 3.159 20 30 CGEDMO C=CCN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159273011 372125788 /nfs/dbraw/zinc/12/57/88/372125788.db2.gz VJOGCYMZOWDWCQ-MSOLQXFVSA-N 1 1 270.420 3.159 20 30 CGEDMO C=CCN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159273011 372125795 /nfs/dbraw/zinc/12/57/95/372125795.db2.gz VJOGCYMZOWDWCQ-MSOLQXFVSA-N 1 1 270.420 3.159 20 30 CGEDMO CC[C@]1(C)CC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000344253487 217121715 /nfs/dbraw/zinc/12/17/15/217121715.db2.gz MSAQRAWRJGLODT-OAHLLOKOSA-N 1 1 291.420 3.070 20 30 CGEDMO C=CCN1CC[C@@H]([N@@H+](C(C)C)[C@@H](C)c2ccccc2)C1=O ZINC000428864308 372272891 /nfs/dbraw/zinc/27/28/91/372272891.db2.gz SVJWNFZQIOEDJE-DOTOQJQBSA-N 1 1 286.419 3.245 20 30 CGEDMO C=CCCC[C@@H](C)[N@@H+](C)Cc1nncn1C(C)C ZINC000429269875 372333573 /nfs/dbraw/zinc/33/35/73/372333573.db2.gz FBCUCEBEDDZACZ-CYBMUJFWSA-N 1 1 250.390 3.036 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+](C)Cc1nncn1C(C)C ZINC000429269875 372333579 /nfs/dbraw/zinc/33/35/79/372333579.db2.gz FBCUCEBEDDZACZ-CYBMUJFWSA-N 1 1 250.390 3.036 20 30 CGEDMO Cc1cc(CN2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)ccc1C#N ZINC000429009737 372303245 /nfs/dbraw/zinc/30/32/45/372303245.db2.gz OWSAKTFXFPBBCT-SIXWZSSISA-N 1 1 297.446 3.029 20 30 CGEDMO C=CCC(C)(C)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000429846668 372379503 /nfs/dbraw/zinc/37/95/03/372379503.db2.gz FLFIHCOKBFIKSH-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)C1(C)C ZINC000344370235 217171904 /nfs/dbraw/zinc/17/19/04/217171904.db2.gz QSCHYWHWYCFSJV-CVEARBPZSA-N 1 1 290.382 3.333 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+](C)Cc1cccc(Cl)c1 ZINC000052920231 541876222 /nfs/dbraw/zinc/87/62/22/541876222.db2.gz ZHASLAHNWKQDTB-UHFFFAOYSA-N 1 1 294.826 3.196 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)Cc1cccc(Cl)c1 ZINC000052920231 541876230 /nfs/dbraw/zinc/87/62/30/541876230.db2.gz ZHASLAHNWKQDTB-UHFFFAOYSA-N 1 1 294.826 3.196 20 30 CGEDMO C=CCC(C)(C)CNC(=O)N[C@H](C)C[N@H+](C)CCCC ZINC000432348204 372564443 /nfs/dbraw/zinc/56/44/43/372564443.db2.gz PSIYVMWMLXRZOL-CQSZACIVSA-N 1 1 283.460 3.008 20 30 CGEDMO CC(C)c1nnc(C[NH2+][C@H](CCCC#N)c2ccccc2)[nH]1 ZINC000433017112 372577858 /nfs/dbraw/zinc/57/78/58/372577858.db2.gz XMNYZJCNQYKZHD-OAHLLOKOSA-N 1 1 297.406 3.453 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000294506760 372658469 /nfs/dbraw/zinc/65/84/69/372658469.db2.gz XOUDOCXNKFMGIS-AWEZNQCLSA-N 1 1 294.826 3.271 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000433925811 372640958 /nfs/dbraw/zinc/64/09/58/372640958.db2.gz IHQSYVGGZRAFIL-HOCLYGCPSA-N 1 1 293.455 3.047 20 30 CGEDMO CC(C)OCCC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000171500434 372775135 /nfs/dbraw/zinc/77/51/35/372775135.db2.gz SSMMOBZJRSNYTC-UHFFFAOYSA-N 1 1 272.392 3.338 20 30 CGEDMO CCC[C@H](O)C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000295558761 372825163 /nfs/dbraw/zinc/82/51/63/372825163.db2.gz QBIUNYVVUKIFJG-BBRMVZONSA-N 1 1 260.381 3.102 20 30 CGEDMO COc1cccc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)n1 ZINC000171859762 372841156 /nfs/dbraw/zinc/84/11/56/372841156.db2.gz OKMVVWLMCWABEC-UHFFFAOYSA-N 1 1 295.386 3.372 20 30 CGEDMO C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)C1CC(O)C1 ZINC000353487151 220112894 /nfs/dbraw/zinc/11/28/94/220112894.db2.gz MEUGJKUHDODHFQ-UHFFFAOYSA-N 1 1 292.382 3.180 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)Cc1cccc2cccnc21 ZINC000438997415 372971948 /nfs/dbraw/zinc/97/19/48/372971948.db2.gz GUWNFJHRVSTDSC-UHFFFAOYSA-N 1 1 283.419 3.175 20 30 CGEDMO C=CC[N@@H+](C)CCN(CC)Cc1cccc2cccnc21 ZINC000438997415 372971954 /nfs/dbraw/zinc/97/19/54/372971954.db2.gz GUWNFJHRVSTDSC-UHFFFAOYSA-N 1 1 283.419 3.175 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)Cc1cccc2cccnc21 ZINC000438997415 372971959 /nfs/dbraw/zinc/97/19/59/372971959.db2.gz GUWNFJHRVSTDSC-UHFFFAOYSA-N 1 1 283.419 3.175 20 30 CGEDMO C=CC[N@@H+](CC1CCC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000441318547 373000326 /nfs/dbraw/zinc/00/03/26/373000326.db2.gz PFPDHLLPIVGODN-CQSZACIVSA-N 1 1 297.406 3.011 20 30 CGEDMO C=C(C)CN(CC)C(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000440171697 372985690 /nfs/dbraw/zinc/98/56/90/372985690.db2.gz BICUWTQSYVZASY-INIZCTEOSA-N 1 1 295.471 3.105 20 30 CGEDMO C=CC[C@H]1[N@H+](Cc2cnns2)CCCC1(C)C ZINC000296102356 373023678 /nfs/dbraw/zinc/02/36/78/373023678.db2.gz UQGMMXMPTUGIEM-GFCCVEGCSA-N 1 1 251.399 3.105 20 30 CGEDMO N#C[C@@H]1CC[C@H](N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000442657869 373061887 /nfs/dbraw/zinc/06/18/87/373061887.db2.gz WBARFZYCHDBRJU-BPQIPLTHSA-N 1 1 283.419 3.105 20 30 CGEDMO CO[C@@H]1CC[N@H+]([C@H](C)c2cccc(C#N)c2)CC1(C)C ZINC000296165621 373041097 /nfs/dbraw/zinc/04/10/97/373041097.db2.gz UQYCXHSNLNVOIB-CZUORRHYSA-N 1 1 272.392 3.366 20 30 CGEDMO COc1cc(C[N@H+]2CCCC[C@H](C)C2)ccc1C#N ZINC000442836871 373100854 /nfs/dbraw/zinc/10/08/54/373100854.db2.gz IVGMIFVTKCWALC-ZDUSSCGKSA-N 1 1 258.365 3.189 20 30 CGEDMO C=CC[C@@H]1N(C(=O)C[N@H+](CC)C2CC2)CCCC1(C)C ZINC000443863061 373163294 /nfs/dbraw/zinc/16/32/94/373163294.db2.gz WHVIVXNKQSYPPZ-HNNXBMFYSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C)cc1 ZINC000443063162 373148981 /nfs/dbraw/zinc/14/89/81/373148981.db2.gz CSPOSGUAHRLHCW-YOEHRIQHSA-N 1 1 275.392 3.251 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000443064413 373149239 /nfs/dbraw/zinc/14/92/39/373149239.db2.gz OREJEBJMJSDPMT-HNNXBMFYSA-N 1 1 256.349 3.107 20 30 CGEDMO C=CC[C@@H]1[N@@H+](CC(=O)c2cccn2C)CCCC1(C)C ZINC000444779020 373271972 /nfs/dbraw/zinc/27/19/72/373271972.db2.gz XIBPIBBXFOQKJP-INIZCTEOSA-N 1 1 274.408 3.275 20 30 CGEDMO C=CC[C@@H]1[N@@H+](CCC(=O)NCCCC)CCCC1(C)C ZINC000444785241 373273879 /nfs/dbraw/zinc/27/38/79/373273879.db2.gz PYGPECLGOXEFCT-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO CCOC(=O)CC(C)(C)[N@@H+](C)CCCCC(C)(C)C#N ZINC000444678550 373232497 /nfs/dbraw/zinc/23/24/97/373232497.db2.gz ZDXRLSSNFFTCJT-UHFFFAOYSA-N 1 1 282.428 3.370 20 30 CGEDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1CCCCC(C)(C)C#N ZINC000444684227 373234628 /nfs/dbraw/zinc/23/46/28/373234628.db2.gz IVFCSTJOFJIXAM-RBSFLKMASA-N 1 1 266.429 3.188 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000296751650 373234927 /nfs/dbraw/zinc/23/49/27/373234927.db2.gz PTCONFKPTUBTLH-GJZGRUSLSA-N 1 1 283.419 3.035 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCN(C2CC2)C[C@@H](C)C1 ZINC000296751650 373234930 /nfs/dbraw/zinc/23/49/30/373234930.db2.gz PTCONFKPTUBTLH-GJZGRUSLSA-N 1 1 283.419 3.035 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCN(C2CC2)C[C@@H](C)C1 ZINC000296751650 373234936 /nfs/dbraw/zinc/23/49/36/373234936.db2.gz PTCONFKPTUBTLH-GJZGRUSLSA-N 1 1 283.419 3.035 20 30 CGEDMO C=CC[C@@H]1[N@H+](C[C@@H]2CCCOC2)CCCC1(C)C ZINC000444791526 373278623 /nfs/dbraw/zinc/27/86/23/373278623.db2.gz NJUKFZUSTGUUIV-GJZGRUSLSA-N 1 1 251.414 3.480 20 30 CGEDMO C#CC[C@H]([NH2+][C@H]1C[C@H](C)n2ccnc21)c1ccccc1 ZINC000297002742 373254523 /nfs/dbraw/zinc/25/45/23/373254523.db2.gz SVWVXOJAWAULLH-BPUTZDHNSA-N 1 1 265.360 3.243 20 30 CGEDMO CCC[C@]1(CO)CCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000444771923 373267466 /nfs/dbraw/zinc/26/74/66/373267466.db2.gz SFBAIWLMDHPLPY-QGZVFWFLSA-N 1 1 291.822 3.319 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2F)CCS1 ZINC000174327737 373292217 /nfs/dbraw/zinc/29/22/17/373292217.db2.gz TUOMDHARHRWYBK-OAHLLOKOSA-N 1 1 278.396 3.271 20 30 CGEDMO CCCC(=O)Nc1ccc(C[NH2+]Cc2ccc(C#N)o2)cc1 ZINC000174273806 373282602 /nfs/dbraw/zinc/28/26/02/373282602.db2.gz BGYGFYUGMDGMCD-UHFFFAOYSA-N 1 1 297.358 3.180 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2ccc(OC3CCCC3)nc2)o1 ZINC000174277368 373282761 /nfs/dbraw/zinc/28/27/61/373282761.db2.gz CDBXPJHADQUQCX-UHFFFAOYSA-N 1 1 297.358 3.157 20 30 CGEDMO C=CCCCC(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000175401165 373463458 /nfs/dbraw/zinc/46/34/58/373463458.db2.gz JBKOSDDIWVFLPH-UHFFFAOYSA-N 1 1 274.408 3.111 20 30 CGEDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNc1ncc(C#N)cc1Cl ZINC000447813407 373496017 /nfs/dbraw/zinc/49/60/17/373496017.db2.gz RPUXINNGYITSPB-ZDUSSCGKSA-N 1 1 292.814 3.139 20 30 CGEDMO C[C@@H](C1CC1)[N@@H+](Cc1ccc(F)c(C#N)c1)C1CC1 ZINC000176808277 373631270 /nfs/dbraw/zinc/63/12/70/373631270.db2.gz IWYLLTKXJGRZRA-NSHDSACASA-N 1 1 258.340 3.460 20 30 CGEDMO Cc1sc(NC(=O)C[N@H+](C)C2CCCC2)c(C#N)c1C ZINC000176995216 373647207 /nfs/dbraw/zinc/64/72/07/373647207.db2.gz MNEGXHQJUCQDNA-UHFFFAOYSA-N 1 1 291.420 3.050 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2c(C)nnn2CC)CCCC1(C)C ZINC000449281850 373676016 /nfs/dbraw/zinc/67/60/16/373676016.db2.gz FOZNFDYTVPCQQS-HNNXBMFYSA-N 1 1 276.428 3.173 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)[C@H](CC)CO)cc1Cl ZINC000449379154 373685145 /nfs/dbraw/zinc/68/51/45/373685145.db2.gz ZRRAFMCVFAPHCY-CYBMUJFWSA-N 1 1 283.799 3.108 20 30 CGEDMO C[C@@H]1[C@@H](C)CC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000177888724 373722155 /nfs/dbraw/zinc/72/21/55/373722155.db2.gz WBKNJAVYZGHNLK-QWHCGFSZSA-N 1 1 253.349 3.041 20 30 CGEDMO N#Cc1cccc(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000301292161 373732830 /nfs/dbraw/zinc/73/28/30/373732830.db2.gz VFPRFYVKEMCRDR-KRWDZBQOSA-N 1 1 292.386 3.030 20 30 CGEDMO COc1ccc2c(c1)C[N@H+](CC(C)(C)CCC#N)CCO2 ZINC000449527156 373825692 /nfs/dbraw/zinc/82/56/92/373825692.db2.gz ZZXRXLULLRSENB-UHFFFAOYSA-N 1 1 288.391 3.220 20 30 CGEDMO C=CC[NH+](CC=C)CC(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000070925979 541894258 /nfs/dbraw/zinc/89/42/58/541894258.db2.gz BHRRTTUKRUBACK-ZDUSSCGKSA-N 1 1 292.810 3.191 20 30 CGEDMO Cn1cccc1[C@@H]1CCC[N@H+]1CC(C)(C)CCC#N ZINC000179710543 373907911 /nfs/dbraw/zinc/90/79/11/373907911.db2.gz ZRDQRYCAUXSCJU-HNNXBMFYSA-N 1 1 259.397 3.492 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CCCC1 ZINC000449816368 373934987 /nfs/dbraw/zinc/93/49/87/373934987.db2.gz WLBMMWHTNMXAGZ-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC1(C(=O)N2CCC[N@H+](C(C)C)CC2)CCCC1 ZINC000449835273 373939581 /nfs/dbraw/zinc/93/95/81/373939581.db2.gz OGWYPOSDPRDMOH-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+](CC(=O)OC(C)(C)C)CC1CCCCC1 ZINC000303424429 374015941 /nfs/dbraw/zinc/01/59/41/374015941.db2.gz BLSCNFZPSYHSSD-UHFFFAOYSA-N 1 1 267.413 3.396 20 30 CGEDMO C=CC[N@H+](CC(=O)OC(C)(C)C)CC1CCCCC1 ZINC000303424429 374015944 /nfs/dbraw/zinc/01/59/44/374015944.db2.gz BLSCNFZPSYHSSD-UHFFFAOYSA-N 1 1 267.413 3.396 20 30 CGEDMO CCC[C@@H]1CN(CCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000180274067 373987442 /nfs/dbraw/zinc/98/74/42/373987442.db2.gz IUAUGXSDIJXVEM-GOSISDBHSA-N 1 1 285.435 3.277 20 30 CGEDMO CCC[C@@H](O)C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000450311560 374052884 /nfs/dbraw/zinc/05/28/84/374052884.db2.gz ICLUJBSMNILRMO-QGZVFWFLSA-N 1 1 274.408 3.177 20 30 CGEDMO CC(C)[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)C[C@H](C)O ZINC000304782759 374059025 /nfs/dbraw/zinc/05/90/25/374059025.db2.gz GWFKGIBNZAGZJA-ZDUSSCGKSA-N 1 1 299.336 3.148 20 30 CGEDMO CC(C)[N@H+](Cc1ccccc1C(C)(C)C#N)C[C@H](C)O ZINC000305116600 374070200 /nfs/dbraw/zinc/07/02/00/374070200.db2.gz FUCXLZBUVZEIGU-AWEZNQCLSA-N 1 1 274.408 3.079 20 30 CGEDMO CC[N@@H+](CC1(C#N)CCC1)[C@H](COC)Cc1ccccc1 ZINC000450454675 374140546 /nfs/dbraw/zinc/14/05/46/374140546.db2.gz OVXABISUCOQCFR-KRWDZBQOSA-N 1 1 286.419 3.260 20 30 CGEDMO C=C[C@@H]1OCC[C@H]1Nc1cc[nH+]c2ccc(Cl)cc12 ZINC000450765160 374177984 /nfs/dbraw/zinc/17/79/84/374177984.db2.gz YDGIWOBNFPBWCO-CABCVRRESA-N 1 1 274.751 3.066 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)CCCCC1 ZINC000450790524 374179354 /nfs/dbraw/zinc/17/93/54/374179354.db2.gz HJVBZJKLGYOLSU-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000182031528 374207767 /nfs/dbraw/zinc/20/77/67/374207767.db2.gz GBZBLDNQESGUGD-LJQANCHMSA-N 1 1 294.398 3.248 20 30 CGEDMO CC[C@H]([NH2+]Cc1ccc(C#N)cc1OC)c1c(C)noc1C ZINC000182398579 374269529 /nfs/dbraw/zinc/26/95/29/374269529.db2.gz IDRDJYOHVODEKE-HNNXBMFYSA-N 1 1 299.374 3.413 20 30 CGEDMO CC[C@H](C)C[N@@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182777365 374324978 /nfs/dbraw/zinc/32/49/78/374324978.db2.gz XYAZHMONWDIYGW-WMLDXEAASA-N 1 1 299.418 3.032 20 30 CGEDMO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000319729878 374347707 /nfs/dbraw/zinc/34/77/07/374347707.db2.gz WJQBSWWRHHBROR-ILXRZTDVSA-N 1 1 299.418 3.253 20 30 CGEDMO C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccc2nc[nH]c2c1 ZINC000329840743 374436116 /nfs/dbraw/zinc/43/61/16/374436116.db2.gz JUMASVXWQBWKFQ-QWRGUYRKSA-N 1 1 272.352 3.024 20 30 CGEDMO CC/C=C/CC[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000184483955 374529752 /nfs/dbraw/zinc/52/97/52/374529752.db2.gz PGDCGGAZWOATTI-SNAWJCMRSA-N 1 1 272.392 3.363 20 30 CGEDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000332105416 374554001 /nfs/dbraw/zinc/55/40/01/374554001.db2.gz HQELWPCVDDHPBB-SWLSCSKDSA-N 1 1 296.374 3.371 20 30 CGEDMO Cc1cc(C2CC[NH+](Cc3cccc(C#N)c3F)CC2)n[nH]1 ZINC000334205517 206188319 /nfs/dbraw/zinc/18/83/19/206188319.db2.gz USNDAERNMJDMMA-UHFFFAOYSA-N 1 1 298.365 3.109 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cccnc2)c(F)c1 ZINC000334209720 206195926 /nfs/dbraw/zinc/19/59/26/206195926.db2.gz DJDGYTHCFONUJU-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2)c(F)c1 ZINC000334209720 206195928 /nfs/dbraw/zinc/19/59/28/206195928.db2.gz DJDGYTHCFONUJU-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C1CCCCC1 ZINC000332653702 374585313 /nfs/dbraw/zinc/58/53/13/374585313.db2.gz MCNPZMTTYDEBJY-UHFFFAOYSA-N 1 1 296.374 3.373 20 30 CGEDMO CC1(C)C[N@@H+](Cc2nc(C#N)cs2)[C@@H]2CCC[C@H]21 ZINC000334234606 374660705 /nfs/dbraw/zinc/66/07/05/374660705.db2.gz ZZYCWAPUDSHBFP-VXGBXAGGSA-N 1 1 261.394 3.025 20 30 CGEDMO COCC1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000187028547 374959381 /nfs/dbraw/zinc/95/93/81/374959381.db2.gz QSGKKJAJVXZUPL-UHFFFAOYSA-N 1 1 278.783 3.070 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000467290691 374973589 /nfs/dbraw/zinc/97/35/89/374973589.db2.gz YWFADNIKTXTZCI-MRXNPFEDSA-N 1 1 291.435 3.232 20 30 CGEDMO C=CCN(CC1CCCCC1)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000468934369 374985111 /nfs/dbraw/zinc/98/51/11/374985111.db2.gz LXXXOSJBJSJROX-IYBDPMFKSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@H+](C[C@H](O)Cc1ccc2ccccc2c1)C1CC1 ZINC000470777495 374999050 /nfs/dbraw/zinc/99/90/50/374999050.db2.gz WVHKGINXADJHCY-LJQANCHMSA-N 1 1 281.399 3.394 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)OC)cc1F ZINC000470865340 375001491 /nfs/dbraw/zinc/00/14/91/375001491.db2.gz GCDRQGUDJWMAIA-AWEZNQCLSA-N 1 1 277.339 3.153 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(C(=O)OC)cc1F ZINC000470865340 375001495 /nfs/dbraw/zinc/00/14/95/375001495.db2.gz GCDRQGUDJWMAIA-AWEZNQCLSA-N 1 1 277.339 3.153 20 30 CGEDMO C=CCCCCNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000471703452 375007061 /nfs/dbraw/zinc/00/70/61/375007061.db2.gz VPHRKNNIMWOXMS-INIZCTEOSA-N 1 1 274.408 3.152 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000474234586 375090209 /nfs/dbraw/zinc/09/02/09/375090209.db2.gz TXXBOGNNDANULJ-DOTOQJQBSA-N 1 1 280.456 3.215 20 30 CGEDMO N#Cc1ccc2c(c1)[C@@H]([NH2+]C1CCN(C3CCC3)CC1)CC2 ZINC000335052162 375092987 /nfs/dbraw/zinc/09/29/87/375092987.db2.gz IAEVIZYZMYPPEV-IBGZPJMESA-N 1 1 295.430 3.152 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000335042212 296225836 /nfs/dbraw/zinc/22/58/36/296225836.db2.gz XIZHQTRENHGHHL-WMLDXEAASA-N 1 1 270.376 3.122 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccc(C)c(Br)c1 ZINC000483421810 375179305 /nfs/dbraw/zinc/17/93/05/375179305.db2.gz VJWDGSVXVPBDTP-UHFFFAOYSA-N 1 1 298.224 3.392 20 30 CGEDMO C=CCCCCC[N@@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000483349265 375179674 /nfs/dbraw/zinc/17/96/74/375179674.db2.gz CVJRHWLGICIOQR-KRWDZBQOSA-N 1 1 281.440 3.393 20 30 CGEDMO C=CC[N@H+](CCCc1ccccc1Cl)CCOC ZINC000484584995 375189464 /nfs/dbraw/zinc/18/94/64/375189464.db2.gz PNORYNFUDBPSDI-UHFFFAOYSA-N 1 1 267.800 3.407 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@@H](C)C[C@@H]2C)c1C ZINC000485129544 375190659 /nfs/dbraw/zinc/19/06/59/375190659.db2.gz ZXPJHBMERNJLGV-STQMWFEESA-N 1 1 274.408 3.204 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000335420793 375278487 /nfs/dbraw/zinc/27/84/87/375278487.db2.gz AOTTWHKKSWBRSD-WBVHZDCISA-N 1 1 284.403 3.099 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@H](N2CCCCC2)C1 ZINC000487888535 375282059 /nfs/dbraw/zinc/28/20/59/375282059.db2.gz MJXHHNXRGWQYCF-INIZCTEOSA-N 1 1 250.430 3.293 20 30 CGEDMO C=CCCCCCN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000487888535 375282070 /nfs/dbraw/zinc/28/20/70/375282070.db2.gz MJXHHNXRGWQYCF-INIZCTEOSA-N 1 1 250.430 3.293 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000488120051 375305753 /nfs/dbraw/zinc/30/57/53/375305753.db2.gz DCLLSTAABOKKHW-HZPDHXFCSA-N 1 1 251.414 3.481 20 30 CGEDMO C[N@@H+](Cc1ccc(F)c(F)c1)[C@@H]1CC[C@H](C#N)C1 ZINC000335331979 375263073 /nfs/dbraw/zinc/26/30/73/375263073.db2.gz NVHAHRFNRKPLIZ-CMPLNLGQSA-N 1 1 250.292 3.089 20 30 CGEDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000335681232 375341862 /nfs/dbraw/zinc/34/18/62/375341862.db2.gz OYJAPBLMDVKWDV-CABZTGNLSA-N 1 1 286.272 3.470 20 30 CGEDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000335681232 375341867 /nfs/dbraw/zinc/34/18/67/375341867.db2.gz OYJAPBLMDVKWDV-CABZTGNLSA-N 1 1 286.272 3.470 20 30 CGEDMO N#C[C@H]1CC[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000335835232 375468789 /nfs/dbraw/zinc/46/87/89/375468789.db2.gz OIAJSARXQKLQQZ-GOEBONIOSA-N 1 1 275.440 3.065 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@]3(CCCOC3)C2)cc1F ZINC000335787828 375430830 /nfs/dbraw/zinc/43/08/30/375430830.db2.gz BHNUBZKZNNVPAG-QGZVFWFLSA-N 1 1 288.366 3.090 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)C[C@H]1CCSC1 ZINC000494924367 375496194 /nfs/dbraw/zinc/49/61/94/375496194.db2.gz PXSZHHFKHYQDFX-CQSZACIVSA-N 1 1 254.443 3.391 20 30 CGEDMO C#CCCC[N@H+](C)[C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000495637316 375499935 /nfs/dbraw/zinc/49/99/35/375499935.db2.gz DQOSKOLHZHUSPS-CQSZACIVSA-N 1 1 286.375 3.049 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(Br)o1 ZINC000191165482 375587764 /nfs/dbraw/zinc/58/77/64/375587764.db2.gz VPBWPNXLVMSOOQ-UHFFFAOYSA-N 1 1 258.159 3.440 20 30 CGEDMO C[C@H]1[N@@H+](Cc2cc(C#N)cs2)CCC12CCOCC2 ZINC000336009105 375612673 /nfs/dbraw/zinc/61/26/73/375612673.db2.gz ATCDPFFBBXKSBH-GFCCVEGCSA-N 1 1 276.405 3.011 20 30 CGEDMO CC[N@H+]1C[C@@H](C)N(CC#Cc2cccc(Cl)c2)C[C@H]1C ZINC000498939480 375628938 /nfs/dbraw/zinc/62/89/38/375628938.db2.gz VPRAMVWAJSTOBV-HUUCEWRRSA-N 1 1 290.838 3.106 20 30 CGEDMO CC(C)[N@@H+](Cc1cc(C#N)n(C)c1)Cc1ccc(C#N)cc1 ZINC000191233145 375599310 /nfs/dbraw/zinc/59/93/10/375599310.db2.gz RHEABLGXZFYKAP-UHFFFAOYSA-N 1 1 292.386 3.179 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CC[C@@](F)(c2cc(C)cc(F)c2)C1 ZINC000502891856 375648511 /nfs/dbraw/zinc/64/85/11/375648511.db2.gz AICZKQKNGVOWMT-IRXDYDNUSA-N 1 1 295.373 3.332 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@@](F)(c2cc(C)cc(F)c2)C1 ZINC000502891856 375648518 /nfs/dbraw/zinc/64/85/18/375648518.db2.gz AICZKQKNGVOWMT-IRXDYDNUSA-N 1 1 295.373 3.332 20 30 CGEDMO C=CC[N@@H+](CCOC)Cc1cccc(Cl)c1F ZINC000191761086 375661566 /nfs/dbraw/zinc/66/15/66/375661566.db2.gz TZVMEWHKJKGWDZ-UHFFFAOYSA-N 1 1 257.736 3.114 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cccc(Cl)c1F ZINC000191761086 375661568 /nfs/dbraw/zinc/66/15/68/375661568.db2.gz TZVMEWHKJKGWDZ-UHFFFAOYSA-N 1 1 257.736 3.114 20 30 CGEDMO CC[C@H]1Cc2ccccc2C[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191501620 375635434 /nfs/dbraw/zinc/63/54/34/375635434.db2.gz SMWFPDQSNGHGBQ-KRWDZBQOSA-N 1 1 279.387 3.234 20 30 CGEDMO C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(C#N)c(F)c1 ZINC000191877502 375671368 /nfs/dbraw/zinc/67/13/68/375671368.db2.gz OPSCBDKSAOTMPW-UHFFFAOYSA-N 1 1 272.298 3.468 20 30 CGEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192137311 375702549 /nfs/dbraw/zinc/70/25/49/375702549.db2.gz KHBDSAFGGSNPCQ-INIZCTEOSA-N 1 1 298.365 3.374 20 30 CGEDMO N#Cc1c(F)cccc1C[NH+]1CCC2(CCOCC2)CC1 ZINC000336126196 375705460 /nfs/dbraw/zinc/70/54/60/375705460.db2.gz SAESDSYSKFMTFG-UHFFFAOYSA-N 1 1 288.366 3.090 20 30 CGEDMO CCOc1ccc2c(c1)CC[N@@H+]([C@@H]1CC[C@@H](C#N)C1)C2 ZINC000336625673 375885516 /nfs/dbraw/zinc/88/55/16/375885516.db2.gz SCHQTFMVULIBOR-CZUORRHYSA-N 1 1 270.376 3.136 20 30 CGEDMO CCC[N@@H+](CC#Cc1cccc(Cl)c1)CC(C)(C)O ZINC000532606957 375952354 /nfs/dbraw/zinc/95/23/54/375952354.db2.gz QGEKHUSQBHEASN-UHFFFAOYSA-N 1 1 279.811 3.174 20 30 CGEDMO CCC[C@]1(COC)CCC[N@H+]1Cc1ccc(C#N)s1 ZINC000195198599 376088594 /nfs/dbraw/zinc/08/85/94/376088594.db2.gz JMTBNKMASNRUSN-OAHLLOKOSA-N 1 1 278.421 3.401 20 30 CGEDMO C=CC[N@@H+](CCO[C@@H]1CCCCO1)Cc1cccs1 ZINC000195231072 376090428 /nfs/dbraw/zinc/09/04/28/376090428.db2.gz VTYRQVGCDAZUGJ-OAHLLOKOSA-N 1 1 281.421 3.279 20 30 CGEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2c2cc(C)ccc2C)C1=O ZINC000337155886 376103230 /nfs/dbraw/zinc/10/32/30/376103230.db2.gz OIIRXYWWRYYEJO-QZTJIDSGSA-N 1 1 298.430 3.227 20 30 CGEDMO C=CCN1CC[C@H]([N@H+](C)[C@H](c2ccccc2)C(C)C)C1=O ZINC000337171801 376113019 /nfs/dbraw/zinc/11/30/19/376113019.db2.gz GBQWFQWNAQWEJO-IRXDYDNUSA-N 1 1 286.419 3.102 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1OC)CC1CC1 ZINC000337467581 376222985 /nfs/dbraw/zinc/22/29/85/376222985.db2.gz UNNOGCXJBNIWCE-UHFFFAOYSA-N 1 1 261.365 3.102 20 30 CGEDMO C=CCCC[C@H](C)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000538148874 376223176 /nfs/dbraw/zinc/22/31/76/376223176.db2.gz ORLQNKOJRPZLRZ-XHSDSOJGSA-N 1 1 250.430 3.147 20 30 CGEDMO C=CCCC[C@H](C)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000538148874 376223184 /nfs/dbraw/zinc/22/31/84/376223184.db2.gz ORLQNKOJRPZLRZ-XHSDSOJGSA-N 1 1 250.430 3.147 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000539105300 376295046 /nfs/dbraw/zinc/29/50/46/376295046.db2.gz UFUVGULCIYGNLY-QGZVFWFLSA-N 1 1 259.393 3.491 20 30 CGEDMO C=CCC[N@@H+]1CCN(c2cccc3cnccc32)C[C@@H]1C ZINC000338539356 376415641 /nfs/dbraw/zinc/41/56/41/376415641.db2.gz GAOKTVIODNWFCQ-HNNXBMFYSA-N 1 1 281.403 3.321 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc(Br)ccc1OC ZINC000338547640 376422601 /nfs/dbraw/zinc/42/26/01/376422601.db2.gz YGKYCCPVFDOKER-UHFFFAOYSA-N 1 1 284.197 3.466 20 30 CGEDMO N#Cc1ccc(CN2CCC[N@@H+](CC3CCCC3)CC2)cc1 ZINC000338580856 376438950 /nfs/dbraw/zinc/43/89/50/376438950.db2.gz HVNNLKRYELLNCT-UHFFFAOYSA-N 1 1 297.446 3.256 20 30 CGEDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000230265102 376498343 /nfs/dbraw/zinc/49/83/43/376498343.db2.gz JTWJFJGBHXMPOA-HNNXBMFYSA-N 1 1 278.783 3.213 20 30 CGEDMO C=CC[C@@H](CC)NC(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000543071072 376602190 /nfs/dbraw/zinc/60/21/90/376602190.db2.gz SHCVQQZJZMKIJT-CVEARBPZSA-N 1 1 295.471 3.151 20 30 CGEDMO C=CCOCC[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000338943277 376588083 /nfs/dbraw/zinc/58/80/83/376588083.db2.gz KHQAGHAOQMPCCW-KRWDZBQOSA-N 1 1 293.382 3.009 20 30 CGEDMO C[N@H+](CCCCC(C)(C)C#N)Cc1cscn1 ZINC000234272993 376614490 /nfs/dbraw/zinc/61/44/90/376614490.db2.gz PLHNDFUMAIUOIM-UHFFFAOYSA-N 1 1 251.399 3.295 20 30 CGEDMO C[N@@H+](CCCCC(C)(C)C#N)Cc1cscn1 ZINC000234272993 376614499 /nfs/dbraw/zinc/61/44/99/376614499.db2.gz PLHNDFUMAIUOIM-UHFFFAOYSA-N 1 1 251.399 3.295 20 30 CGEDMO COc1cc(C[N@@H+](C)[C@@H](C)CCSC)ccc1C#N ZINC000234802470 376619366 /nfs/dbraw/zinc/61/93/66/376619366.db2.gz QIXVHKICRKOFOT-LBPRGKRZSA-N 1 1 278.421 3.140 20 30 CGEDMO C=CCOCC[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000339175046 376726373 /nfs/dbraw/zinc/72/63/73/376726373.db2.gz XRHBNCHISVCOBD-GFCCVEGCSA-N 1 1 277.330 3.244 20 30 CGEDMO C=C1CC[NH+](C[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000264462753 190111941 /nfs/dbraw/zinc/11/19/41/190111941.db2.gz KYBZBFWCUBSZFP-AWEZNQCLSA-N 1 1 285.309 3.391 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCn3cccc3[C@@H]2C)cc1 ZINC000245502744 376834679 /nfs/dbraw/zinc/83/46/79/376834679.db2.gz GTIHSTFXJAYEHX-CABCVRRESA-N 1 1 295.386 3.356 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCn3cccc3[C@@H]2C)cc1 ZINC000245502744 376834684 /nfs/dbraw/zinc/83/46/84/376834684.db2.gz GTIHSTFXJAYEHX-CABCVRRESA-N 1 1 295.386 3.356 20 30 CGEDMO CC#CC[N@@H+](C)Cc1c2ccccc2oc1C(=O)OCC ZINC000339755323 376835398 /nfs/dbraw/zinc/83/53/98/376835398.db2.gz FVHRQEBTMQWZIW-UHFFFAOYSA-N 1 1 285.343 3.065 20 30 CGEDMO CC#CC[N@H+](C)Cc1c2ccccc2oc1C(=O)OCC ZINC000339755323 376835404 /nfs/dbraw/zinc/83/54/04/376835404.db2.gz FVHRQEBTMQWZIW-UHFFFAOYSA-N 1 1 285.343 3.065 20 30 CGEDMO C=CCOCC[N@H+](C)Cc1cccc2ccccc21 ZINC000555315353 376856384 /nfs/dbraw/zinc/85/63/84/376856384.db2.gz DAPXKBUVULKCBF-UHFFFAOYSA-N 1 1 255.361 3.474 20 30 CGEDMO CC#CCC[N@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000555685128 376857678 /nfs/dbraw/zinc/85/76/78/376857678.db2.gz BCGDKWRXDAWLDG-OAHLLOKOSA-N 1 1 263.768 3.207 20 30 CGEDMO C=CC[NH+](CC=C)[C@@H](C)C(=O)N(CC)C1CCCCC1 ZINC000556620194 376865713 /nfs/dbraw/zinc/86/57/13/376865713.db2.gz WOCWDAYMPMWRII-HNNXBMFYSA-N 1 1 278.440 3.230 20 30 CGEDMO CN1CC[N@@H+](CC(C)(C)CCC#N)[C@H](c2ccccc2)C1 ZINC000246183655 376982977 /nfs/dbraw/zinc/98/29/77/376982977.db2.gz HFTDUFZABBKWRV-KRWDZBQOSA-N 1 1 285.435 3.305 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1C[C@@H](c2ccccc2C)OC[C@H]1C ZINC000246670979 377069990 /nfs/dbraw/zinc/06/99/90/377069990.db2.gz DELFLVVXPQNILB-RYRKJORJSA-N 1 1 289.419 3.084 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246989625 377134722 /nfs/dbraw/zinc/13/47/22/377134722.db2.gz WHEJLOCKXSADDW-JKSUJKDBSA-N 1 1 263.356 3.290 20 30 CGEDMO CCN(CC[C@@H]1CCC[N@@H+]1C)[C@H](C)c1ccc(C#N)cc1 ZINC000247113931 377161298 /nfs/dbraw/zinc/16/12/98/377161298.db2.gz LTZCNUWSOSMVEC-QAPCUYQASA-N 1 1 285.435 3.425 20 30 CGEDMO CCN(CC[C@@H]1CCC[N@H+]1C)[C@H](C)c1ccc(C#N)cc1 ZINC000247113931 377161309 /nfs/dbraw/zinc/16/13/09/377161309.db2.gz LTZCNUWSOSMVEC-QAPCUYQASA-N 1 1 285.435 3.425 20 30 CGEDMO CC[N@H+](CC[C@@H]1CCCN1C)[C@H](C)c1ccc(C#N)cc1 ZINC000247113931 377161314 /nfs/dbraw/zinc/16/13/14/377161314.db2.gz LTZCNUWSOSMVEC-QAPCUYQASA-N 1 1 285.435 3.425 20 30 CGEDMO CC[N@@H+](CC[C@@H]1CCCN1C)[C@H](C)c1ccc(C#N)cc1 ZINC000247113931 377161322 /nfs/dbraw/zinc/16/13/22/377161322.db2.gz LTZCNUWSOSMVEC-QAPCUYQASA-N 1 1 285.435 3.425 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](CC)[C@H](C)c1cccc(O)c1 ZINC000247353471 377197173 /nfs/dbraw/zinc/19/71/73/377197173.db2.gz JYTPMCFQHXOMGE-CZUORRHYSA-N 1 1 263.381 3.102 20 30 CGEDMO C=C[C@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000248028266 377258118 /nfs/dbraw/zinc/25/81/18/377258118.db2.gz JVEDOSVZSSKMCT-NXHRZFHOSA-N 1 1 298.430 3.041 20 30 CGEDMO C=CCCCC[N@H+](C)CC(=O)Nc1ccccc1CC ZINC000562528625 377325929 /nfs/dbraw/zinc/32/59/29/377325929.db2.gz SATAYJRPPSILGG-UHFFFAOYSA-N 1 1 274.408 3.476 20 30 CGEDMO CCCC[N@H+](C)C[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000562090880 377276712 /nfs/dbraw/zinc/27/67/12/377276712.db2.gz YKAMHGGMNKLIRN-CABCVRRESA-N 1 1 273.424 3.329 20 30 CGEDMO CCCC[N@@H+](C)C[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000562090880 377276718 /nfs/dbraw/zinc/27/67/18/377276718.db2.gz YKAMHGGMNKLIRN-CABCVRRESA-N 1 1 273.424 3.329 20 30 CGEDMO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248919231 377430322 /nfs/dbraw/zinc/43/03/22/377430322.db2.gz WLHWAMKJPGBLSG-YLFCFFPRSA-N 1 1 289.467 3.311 20 30 CGEDMO CCCC[N@@H+](C)C[C@@H](C)Nc1ncc(C#N)cc1Cl ZINC000341131639 377411366 /nfs/dbraw/zinc/41/13/66/377411366.db2.gz VJOOSBBKOGRYCF-LLVKDONJSA-N 1 1 280.803 3.139 20 30 CGEDMO C[N@H+]1CC[C@]2(CCN(c3cccc(C(F)F)c3C#N)C2)C1 ZINC000563422334 377461736 /nfs/dbraw/zinc/46/17/36/377461736.db2.gz CLVCQWHZBJUSLF-INIZCTEOSA-N 1 1 291.345 3.028 20 30 CGEDMO CC(C)c1ccc(C[NH2+]CC2(C#N)CC2)cc1[N+](=O)[O-] ZINC000567562073 377507527 /nfs/dbraw/zinc/50/75/27/377507527.db2.gz NHLOMEVSQLNMTG-UHFFFAOYSA-N 1 1 273.336 3.112 20 30 CGEDMO N#CCCCOc1cccc(C[N@H+]2CCC[C@@H](F)C2)c1 ZINC000566352958 377495425 /nfs/dbraw/zinc/49/54/25/377495425.db2.gz CQYTVEPLUROAOO-OAHLLOKOSA-N 1 1 276.355 3.303 20 30 CGEDMO N#CCCCOc1cccc(C[N@@H+]2CCC[C@@H](F)C2)c1 ZINC000566352958 377495435 /nfs/dbraw/zinc/49/54/35/377495435.db2.gz CQYTVEPLUROAOO-OAHLLOKOSA-N 1 1 276.355 3.303 20 30 CGEDMO CN1CC[N@@H+](Cc2ccc(CC#N)cc2)CC12CCCCC2 ZINC000566426295 377497114 /nfs/dbraw/zinc/49/71/14/377497114.db2.gz BTEGWUAUOMMEQG-UHFFFAOYSA-N 1 1 297.446 3.203 20 30 CGEDMO C[N@@H+]1CCN(Cc2ccc(CC#N)cc2)CC12CCCCC2 ZINC000566426295 377497121 /nfs/dbraw/zinc/49/71/21/377497121.db2.gz BTEGWUAUOMMEQG-UHFFFAOYSA-N 1 1 297.446 3.203 20 30 CGEDMO C[N@H+]1CCN(Cc2ccc(CC#N)cc2)CC12CCCCC2 ZINC000566426295 377497130 /nfs/dbraw/zinc/49/71/30/377497130.db2.gz BTEGWUAUOMMEQG-UHFFFAOYSA-N 1 1 297.446 3.203 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)C[C@H]1CCCC[C@@H]1O ZINC000567990315 377511430 /nfs/dbraw/zinc/51/14/30/377511430.db2.gz SLKPHBFGVJPPGN-CVEARBPZSA-N 1 1 266.429 3.189 20 30 CGEDMO CCOC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000313477156 249091959 /nfs/dbraw/zinc/09/19/59/249091959.db2.gz AKRCWJIDBVIBJL-HNNXBMFYSA-N 1 1 276.355 3.088 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNc2cccc(F)c2C#N)C1 ZINC000515550505 249216537 /nfs/dbraw/zinc/21/65/37/249216537.db2.gz OGKRUWJYYSDVIR-OKILXGFUSA-N 1 1 289.398 3.477 20 30 CGEDMO COc1ccc([C@@H](C)[N@@H+](C)Cc2ccc(C#N)cn2)cc1 ZINC000518212008 249277047 /nfs/dbraw/zinc/27/70/47/249277047.db2.gz LNPUSURDQHTSAW-CYBMUJFWSA-N 1 1 281.359 3.155 20 30 CGEDMO C=CCCC(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000341521637 377604091 /nfs/dbraw/zinc/60/40/91/377604091.db2.gz FHZHGTCRWZSIJA-UHFFFAOYSA-N 1 1 272.392 3.228 20 30 CGEDMO N#Cc1ccc(NC[C@H]2CCC[N@H+]2C2CCCCC2)cn1 ZINC000574591842 377685289 /nfs/dbraw/zinc/68/52/89/377685289.db2.gz LSYCDJZABYUFBD-QGZVFWFLSA-N 1 1 284.407 3.162 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000342728577 377759914 /nfs/dbraw/zinc/75/99/14/377759914.db2.gz IFZVTBAFKBZBGJ-UHFFFAOYSA-N 1 1 266.291 3.168 20 30 CGEDMO C=CCC[N@H+](C)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000342739558 377766369 /nfs/dbraw/zinc/76/63/69/377766369.db2.gz OOVHAFVHRZNKIY-UHFFFAOYSA-N 1 1 281.403 3.369 20 30 CGEDMO C[C@H]([NH2+]CCc1ccc2cn[nH]c2c1)c1ccc(C#N)cc1 ZINC000342811497 377810773 /nfs/dbraw/zinc/81/07/73/377810773.db2.gz USNYDZWDCIWHEU-ZDUSSCGKSA-N 1 1 290.370 3.328 20 30 CGEDMO N#CC1(C[N@H+]2CCCC[C@H]2Cc2ccccc2)CC1 ZINC000343312797 377950331 /nfs/dbraw/zinc/95/03/31/377950331.db2.gz DGWZDBICMJSYIV-INIZCTEOSA-N 1 1 254.377 3.387 20 30 CGEDMO CC(C)(C#N)CC[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000266021616 378013950 /nfs/dbraw/zinc/01/39/50/378013950.db2.gz PVTNHUZPEWULEB-KRWDZBQOSA-N 1 1 286.419 3.298 20 30 CGEDMO CC[N@@H+](Cc1ccc(OCC#N)cc1)[C@H](C)C(C)C ZINC000264986436 377995765 /nfs/dbraw/zinc/99/57/65/377995765.db2.gz LWQHMFGKTYLRQY-CQSZACIVSA-N 1 1 260.381 3.455 20 30 CGEDMO C[N@@H+](CCCC(C)(C)C#N)[C@H](CCO)c1ccccc1 ZINC000266930426 378029402 /nfs/dbraw/zinc/02/94/02/378029402.db2.gz LXYJMQGZSYUUIC-MRXNPFEDSA-N 1 1 274.408 3.372 20 30 CGEDMO C=CCC(CC=C)C(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000343615239 378041710 /nfs/dbraw/zinc/04/17/10/378041710.db2.gz RCSHECWBCXLKHW-HOCLYGCPSA-N 1 1 278.440 3.086 20 30 CGEDMO C[C@H](c1ccccc1F)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000268633042 378084352 /nfs/dbraw/zinc/08/43/52/378084352.db2.gz QJEVLLNNYSFERT-FZKQIMNGSA-N 1 1 298.361 3.424 20 30 CGEDMO COCCSc1ccc([C@@H](C)[NH2+]CC2(C#N)CC2)cc1 ZINC000343568181 378023731 /nfs/dbraw/zinc/02/37/31/378023731.db2.gz ZIRPOXLHMDQEEH-CYBMUJFWSA-N 1 1 290.432 3.379 20 30 CGEDMO Cc1ccccc1[C@@H]1CC[N@@H+](CCCSCC#N)C1 ZINC000266687354 378024561 /nfs/dbraw/zinc/02/45/61/378024561.db2.gz BHQOGBAISSMCCM-OAHLLOKOSA-N 1 1 274.433 3.431 20 30 CGEDMO CC(C)C[C@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000266713841 378026008 /nfs/dbraw/zinc/02/60/08/378026008.db2.gz IFHOYNNUIZMBSJ-MRXNPFEDSA-N 1 1 272.392 3.457 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@H](CC)CC1 ZINC000343911919 378132221 /nfs/dbraw/zinc/13/22/21/378132221.db2.gz FGALOPCJKOGQBP-CVEARBPZSA-N 1 1 278.440 3.088 20 30 CGEDMO CC(C)(C)[C@@H]1CCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000268672889 378089354 /nfs/dbraw/zinc/08/93/54/378089354.db2.gz KNZBFSSPTBPWBY-HOTGVXAUSA-N 1 1 272.392 3.102 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000344154252 378161762 /nfs/dbraw/zinc/16/17/62/378161762.db2.gz IOOOPISFVLPZLY-QGZVFWFLSA-N 1 1 277.383 3.019 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000581432376 378278912 /nfs/dbraw/zinc/27/89/12/378278912.db2.gz UQJHPAZZEGQBAK-GFCCVEGCSA-N 1 1 273.336 3.088 20 30 CGEDMO C#CC[C@H]([NH2+]Cc1nc(C)cs1)c1ccccc1 ZINC000270148197 378313030 /nfs/dbraw/zinc/31/30/30/378313030.db2.gz CGRJPUKEXXOMPL-AWEZNQCLSA-N 1 1 256.374 3.306 20 30 CGEDMO CCC[N@@H+](CC)C[C@@H](C)Nc1ccc2cc(C#N)ccc2n1 ZINC000583987404 378364255 /nfs/dbraw/zinc/36/42/55/378364255.db2.gz VETDQCFXURTHLU-CQSZACIVSA-N 1 1 296.418 3.061 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1Cn1c(C)nc2ccccc21 ZINC000270367147 378342104 /nfs/dbraw/zinc/34/21/04/378342104.db2.gz SSZDNWVTAJVVKI-HNNXBMFYSA-N 1 1 269.392 3.385 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)nc1 ZINC000583879727 378355389 /nfs/dbraw/zinc/35/53/89/378355389.db2.gz AEWGPVPSRMTEPE-OAHLLOKOSA-N 1 1 281.334 3.082 20 30 CGEDMO CC1(C)c2ccccc2CC[N@@H+]1CCCSCC#N ZINC000584427376 378383539 /nfs/dbraw/zinc/38/35/39/378383539.db2.gz SGRXFVOUYZQZNX-UHFFFAOYSA-N 1 1 274.433 3.427 20 30 CGEDMO C#CCCC[N@H+](Cc1ccccc1OC)C[C@@H]1CCCO1 ZINC000271077756 378448985 /nfs/dbraw/zinc/44/89/85/378448985.db2.gz XHKFPGWMNCJTHM-KRWDZBQOSA-N 1 1 287.403 3.090 20 30 CGEDMO Cc1cc(C[N@@H+](C)C[C@H](C)C#N)ccc1Br ZINC000271112573 378454328 /nfs/dbraw/zinc/45/43/28/378454328.db2.gz CEGFLIXBTJGLCY-SNVBAGLBSA-N 1 1 281.197 3.349 20 30 CGEDMO Cc1cc(C[N@H+](C)C[C@H](C)C#N)ccc1Br ZINC000271112573 378454335 /nfs/dbraw/zinc/45/43/35/378454335.db2.gz CEGFLIXBTJGLCY-SNVBAGLBSA-N 1 1 281.197 3.349 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)c1 ZINC000271125938 378457827 /nfs/dbraw/zinc/45/78/27/378457827.db2.gz MJHKUFMFEGLKCJ-IAGOWNOFSA-N 1 1 273.376 3.005 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)c1 ZINC000271125938 378457832 /nfs/dbraw/zinc/45/78/32/378457832.db2.gz MJHKUFMFEGLKCJ-IAGOWNOFSA-N 1 1 273.376 3.005 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@H]1Cn1c(C)nc2ccccc21 ZINC000271034364 378433803 /nfs/dbraw/zinc/43/38/03/378433803.db2.gz LMUFLPJPUGHVFS-INIZCTEOSA-N 1 1 281.403 3.223 20 30 CGEDMO CCN1CCC([NH2+][C@@H](CCC#N)c2ccccc2)CC1 ZINC000271708789 378500838 /nfs/dbraw/zinc/50/08/38/378500838.db2.gz NYPSULPUBYAKHV-KRWDZBQOSA-N 1 1 271.408 3.105 20 30 CGEDMO C[C@H](C[NH+]1CCCCC1)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271967878 378533167 /nfs/dbraw/zinc/53/31/67/378533167.db2.gz VZJFGPQZAMJJAV-ZIAGYGMSSA-N 1 1 289.398 3.222 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1c(C)nn(CC)c1C ZINC000272264298 378599018 /nfs/dbraw/zinc/59/90/18/378599018.db2.gz AZMVLYHKKPHVOC-UHFFFAOYSA-N 1 1 287.407 3.344 20 30 CGEDMO C[C@@H](Nc1cccc(C#N)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272649539 378682661 /nfs/dbraw/zinc/68/26/61/378682661.db2.gz AJVUHNKUPABOSF-ZIAGYGMSSA-N 1 1 284.407 3.018 20 30 CGEDMO C=C[C@H](CC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000272677151 378687810 /nfs/dbraw/zinc/68/78/10/378687810.db2.gz KDBBPNARJWHXGS-JKSUJKDBSA-N 1 1 298.430 3.113 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](CC3CCC3)CC2)cc1 ZINC000347997819 378749255 /nfs/dbraw/zinc/74/92/55/378749255.db2.gz UEJLCIUWZMKIDS-UHFFFAOYSA-N 1 1 252.361 3.447 20 30 CGEDMO C=CCOCCC[N@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000348029064 378758443 /nfs/dbraw/zinc/75/84/43/378758443.db2.gz GTYCXMBLUPVQDY-CQSZACIVSA-N 1 1 293.432 3.378 20 30 CGEDMO C=C(C)C[N@H+](CCC(=O)OCC)Cc1ccccc1 ZINC000348251162 378863980 /nfs/dbraw/zinc/86/39/80/378863980.db2.gz ZKAVEBFZHDOBDK-UHFFFAOYSA-N 1 1 261.365 3.018 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000274754918 378888920 /nfs/dbraw/zinc/88/89/20/378888920.db2.gz BZOMWBHYIWJEKE-UHFFFAOYSA-N 1 1 290.794 3.214 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCC2(C1)CCOCC2 ZINC000274754918 378888926 /nfs/dbraw/zinc/88/89/26/378888926.db2.gz BZOMWBHYIWJEKE-UHFFFAOYSA-N 1 1 290.794 3.214 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000347088705 218117269 /nfs/dbraw/zinc/11/72/69/218117269.db2.gz ODYWADLISQAGBM-KDOFPFPSSA-N 1 1 293.370 3.168 20 30 CGEDMO C#CC[C@H]([NH2+][C@H](C)c1cc(C(=O)OC)co1)c1ccccc1 ZINC000278626715 194074538 /nfs/dbraw/zinc/07/45/38/194074538.db2.gz GPBZAWQAUIOPEZ-CJNGLKHVSA-N 1 1 297.354 3.481 20 30 CGEDMO C=CCOc1ccc(C[NH2+]Cc2cc(C3CC3)no2)cc1 ZINC000639157312 379077509 /nfs/dbraw/zinc/07/75/09/379077509.db2.gz LFPZFSJCOUPCRA-UHFFFAOYSA-N 1 1 284.359 3.407 20 30 CGEDMO N#Cc1nc(NC[C@H]2CCCC[N@H+]2C2CC2)ccc1Cl ZINC000277548417 379185075 /nfs/dbraw/zinc/18/50/75/379185075.db2.gz XLNXUECBBYQJGO-GFCCVEGCSA-N 1 1 290.798 3.035 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(C)C)C1=O ZINC000192528213 542265739 /nfs/dbraw/zinc/26/57/39/542265739.db2.gz BOLCJKOCWDZJRZ-QGZVFWFLSA-N 1 1 286.419 3.074 20 30 CGEDMO C[C@H]1C[N@H+](Cc2cn3ccccc3c2C#N)CC[C@@H]1C ZINC000347588833 218283317 /nfs/dbraw/zinc/28/33/17/218283317.db2.gz XDWGWAFZVVWLKB-KBPBESRZSA-N 1 1 267.376 3.289 20 30 CGEDMO N#Cc1ccc(C[N@@H+](C[C@@H]2CCSC2)C2CC2)cc1 ZINC000278361690 379361293 /nfs/dbraw/zinc/36/12/93/379361293.db2.gz AYZGHZMXOCQZLO-HNNXBMFYSA-N 1 1 272.417 3.276 20 30 CGEDMO C[C@@H](CC1CCOCC1)C[N@@H+](CCC#N)CC1CC1 ZINC000350004130 379476175 /nfs/dbraw/zinc/47/61/75/379476175.db2.gz BJJSRPXGLZJOQI-AWEZNQCLSA-N 1 1 264.413 3.065 20 30 CGEDMO C=CC[C@H](C(=O)N1CCC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000376340894 379540995 /nfs/dbraw/zinc/54/09/95/379540995.db2.gz MTGIYINERBPCAD-MSOLQXFVSA-N 1 1 298.430 3.043 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@H](Cc3ccncc3)C2)ccc1F ZINC000376371732 379544330 /nfs/dbraw/zinc/54/43/30/379544330.db2.gz VVTMJDHOMFMLOY-MRXNPFEDSA-N 1 1 295.361 3.157 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(C)c(C)c2)n1 ZINC000279822553 379524843 /nfs/dbraw/zinc/52/48/43/379524843.db2.gz YSKCCFMWCWETHR-UHFFFAOYSA-N 1 1 281.403 3.155 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)Cc2ccc(C)c(C)c2)n1 ZINC000279822553 379524848 /nfs/dbraw/zinc/52/48/48/379524848.db2.gz YSKCCFMWCWETHR-UHFFFAOYSA-N 1 1 281.403 3.155 20 30 CGEDMO C[C@H]1C[N@@H+](CCOc2ccc(C#N)cc2)C(C)(C)C1 ZINC000350181097 379525211 /nfs/dbraw/zinc/52/52/11/379525211.db2.gz KGXHVIKSAQMJBT-CYBMUJFWSA-N 1 1 258.365 3.057 20 30 CGEDMO C=CCCC(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000279959949 379564831 /nfs/dbraw/zinc/56/48/31/379564831.db2.gz IMIJRTAEFMMFEL-UHFFFAOYSA-N 1 1 266.772 3.306 20 30 CGEDMO C=CCC[N@H+](Cc1ccc(OC)cc1)[C@H](C)CCCO ZINC000640016397 379687008 /nfs/dbraw/zinc/68/70/08/379687008.db2.gz JFFVXOQGGUYRMJ-OAHLLOKOSA-N 1 1 277.408 3.234 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](Cc1ccccc1F)C(C)C ZINC000351638605 379733350 /nfs/dbraw/zinc/73/33/50/379733350.db2.gz MJJGYQVYEGNJPY-HNNXBMFYSA-N 1 1 265.372 3.363 20 30 CGEDMO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC000280746856 379779128 /nfs/dbraw/zinc/77/91/28/379779128.db2.gz XLQCOGJLGGWTKF-DOTOQJQBSA-N 1 1 297.402 3.148 20 30 CGEDMO CC1(C)C[N@@H+](CCOc2ccc(C#N)cc2)[C@@H]2CCC[C@H]21 ZINC000378825101 379857099 /nfs/dbraw/zinc/85/70/99/379857099.db2.gz HDPXCMNZOAKWJL-IAGOWNOFSA-N 1 1 284.403 3.448 20 30 CGEDMO COc1cccc(C[N@@H+](C)Cc2ccc(C#N)c(OC)c2)c1 ZINC000282127322 379858549 /nfs/dbraw/zinc/85/85/49/379858549.db2.gz BEXTXGFXMVWNIM-UHFFFAOYSA-N 1 1 296.370 3.207 20 30 CGEDMO Cc1cc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)ccc1C#N ZINC000352441562 379816477 /nfs/dbraw/zinc/81/64/77/379816477.db2.gz ZAVZWOAFSOUOSE-ZWKOTPCHSA-N 1 1 296.414 3.400 20 30 CGEDMO C=CCCCCCn1cc(C[NH+]2CCCCC2)nn1 ZINC000641047396 379916953 /nfs/dbraw/zinc/91/69/53/379916953.db2.gz WFBIYLGPXWLEKJ-UHFFFAOYSA-N 1 1 262.401 3.010 20 30 CGEDMO CC[C@H]1C[C@@H](C)C[N@H+]1CCOc1ccccc1C#N ZINC000399742631 379942468 /nfs/dbraw/zinc/94/24/68/379942468.db2.gz JMQZVEXSQLHVLB-HIFRSBDPSA-N 1 1 258.365 3.057 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1C[C@H](C)[C@H](C)[C@@H]1C ZINC000399681521 379943596 /nfs/dbraw/zinc/94/35/96/379943596.db2.gz RJHFKZONOYXHKO-AVGNSLFASA-N 1 1 258.365 3.043 20 30 CGEDMO CC[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000571341001 322296265 /nfs/dbraw/zinc/29/62/65/322296265.db2.gz WIZUNXCBLKQMNF-GDBMZVCRSA-N 1 1 257.381 3.354 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000353023950 380079481 /nfs/dbraw/zinc/07/94/81/380079481.db2.gz GMTMITCEHXAWNQ-WCQYABFASA-N 1 1 280.318 3.180 20 30 CGEDMO C[N@H+](CC1CC1)C[C@H]1CCN(CCCCC(C)(C)C#N)C1 ZINC000409446912 380038357 /nfs/dbraw/zinc/03/83/57/380038357.db2.gz ZJKRRUHRPAEOGR-QGZVFWFLSA-N 1 1 291.483 3.370 20 30 CGEDMO C[N@@H+](CC1CC1)C[C@H]1CCN(CCCCC(C)(C)C#N)C1 ZINC000409446912 380038364 /nfs/dbraw/zinc/03/83/64/380038364.db2.gz ZJKRRUHRPAEOGR-QGZVFWFLSA-N 1 1 291.483 3.370 20 30 CGEDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411298052 380138793 /nfs/dbraw/zinc/13/87/93/380138793.db2.gz UYORFFZXNGHCSF-HOTGVXAUSA-N 1 1 278.440 3.476 20 30 CGEDMO N#CC1(CC[N@H+]2CC[C@@H](Oc3ccncc3)C2)CCCCC1 ZINC000411326626 380142956 /nfs/dbraw/zinc/14/29/56/380142956.db2.gz PYURYDMAGACHME-QGZVFWFLSA-N 1 1 299.418 3.399 20 30 CGEDMO CC[C@H]1CO[C@H](C)C[N@H+]1CCC1(C#N)CCCCC1 ZINC000411168892 380130834 /nfs/dbraw/zinc/13/08/34/380130834.db2.gz QVXWIKFJEQVQKC-CABCVRRESA-N 1 1 264.413 3.350 20 30 CGEDMO C[N@@H+](CCC1(C#N)CCCCC1)C[C@@H]1CCCCO1 ZINC000411192168 380134372 /nfs/dbraw/zinc/13/43/72/380134372.db2.gz QPRUCWXUPPAASZ-HNNXBMFYSA-N 1 1 264.413 3.351 20 30 CGEDMO C=C1CC[NH+](Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000353319494 380202807 /nfs/dbraw/zinc/20/28/07/380202807.db2.gz FILVFEMNJOWCPX-UHFFFAOYSA-N 1 1 253.349 3.229 20 30 CGEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)[C@@H](C)C(C)C ZINC000642253127 380154604 /nfs/dbraw/zinc/15/46/04/380154604.db2.gz BOPQITBYTBTNEU-RDJZCZTQSA-N 1 1 291.435 3.131 20 30 CGEDMO C[C@H](C#N)C[N@H+](Cc1cccc2[nH]ccc21)C1CC1 ZINC000354035589 380293025 /nfs/dbraw/zinc/29/30/25/380293025.db2.gz ZMNGEZHLHXVZKO-GFCCVEGCSA-N 1 1 253.349 3.292 20 30 CGEDMO C[C@H](C#N)C[N@@H+](Cc1cccc2[nH]ccc21)C1CC1 ZINC000354035589 380293031 /nfs/dbraw/zinc/29/30/31/380293031.db2.gz ZMNGEZHLHXVZKO-GFCCVEGCSA-N 1 1 253.349 3.292 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)sc(=O)n2C ZINC000355137141 380595638 /nfs/dbraw/zinc/59/56/38/380595638.db2.gz TVJVFSYZBIZQRG-ZDUSSCGKSA-N 1 1 288.416 3.141 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@]3(CCSC3)C2)s1 ZINC000334746372 207004540 /nfs/dbraw/zinc/00/45/40/207004540.db2.gz GXJTYWYXGNMWRG-CQSZACIVSA-N 1 1 278.446 3.339 20 30 CGEDMO C=CC[N@@H+](CCC[C@@H]1CCOC1)Cc1ccccc1 ZINC000645769260 380724326 /nfs/dbraw/zinc/72/43/26/380724326.db2.gz IEZQJVPUZAMBAY-QGZVFWFLSA-N 1 1 259.393 3.491 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCSC[C@@H]1C1CCC1 ZINC000419371026 380817731 /nfs/dbraw/zinc/81/77/31/380817731.db2.gz IHVDILAMAGGLGO-QGZVFWFLSA-N 1 1 271.429 3.256 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H](C)[C@H]1C ZINC000419371943 380817892 /nfs/dbraw/zinc/81/78/92/380817892.db2.gz LSROQVLTGXQFNC-AGIUHOORSA-N 1 1 296.374 3.085 20 30 CGEDMO CC#CC[N@H+](CCCC)[C@H]1CCc2ncsc2C1 ZINC000646129958 380847125 /nfs/dbraw/zinc/84/71/25/380847125.db2.gz XVVFTYHVTZGJPY-ZDUSSCGKSA-N 1 1 262.422 3.126 20 30 CGEDMO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1CCC(C)(C)C#N ZINC000420929274 380861762 /nfs/dbraw/zinc/86/17/62/380861762.db2.gz QHDSCGOONLYXMX-UONOGXRCSA-N 1 1 294.439 3.368 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)Cc2cccc3[nH]ccc32)n1 ZINC000279333352 194388489 /nfs/dbraw/zinc/38/84/89/194388489.db2.gz DCKFOHOEORBBGV-UHFFFAOYSA-N 1 1 292.386 3.020 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)Cc2cccc3[nH]ccc32)n1 ZINC000279333352 194388491 /nfs/dbraw/zinc/38/84/91/194388491.db2.gz DCKFOHOEORBBGV-UHFFFAOYSA-N 1 1 292.386 3.020 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000358509151 381314165 /nfs/dbraw/zinc/31/41/65/381314165.db2.gz NPXBWYBVFGLZAI-OAHLLOKOSA-N 1 1 272.392 3.303 20 30 CGEDMO C[C@H]1CCCC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000360594468 381588466 /nfs/dbraw/zinc/58/84/66/381588466.db2.gz AJZKJQLSFKAACN-AWEZNQCLSA-N 1 1 258.365 3.059 20 30 CGEDMO N#Cc1ccc(C[N@@H+](Cc2ccc(O)cc2)CC2CC2)o1 ZINC000289188003 197257730 /nfs/dbraw/zinc/25/77/30/197257730.db2.gz BCWXMTVBQCLEEZ-UHFFFAOYSA-N 1 1 282.343 3.269 20 30 CGEDMO C[C@H](CO)[N@H+](Cc1ccc(C#N)cc1Cl)CC1CCC1 ZINC000361492893 381772857 /nfs/dbraw/zinc/77/28/57/381772857.db2.gz NJGMAORPRRRHMB-GFCCVEGCSA-N 1 1 292.810 3.195 20 30 CGEDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000361568969 381811122 /nfs/dbraw/zinc/81/11/22/381811122.db2.gz YWNYLAIUXTWDNN-QAPCUYQASA-N 1 1 293.414 3.350 20 30 CGEDMO CC(C)(C#N)CCC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000362066793 381882417 /nfs/dbraw/zinc/88/24/17/381882417.db2.gz OISHBWWGHKLNHB-KRWDZBQOSA-N 1 1 297.402 3.262 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000362066793 381882421 /nfs/dbraw/zinc/88/24/21/381882421.db2.gz OISHBWWGHKLNHB-KRWDZBQOSA-N 1 1 297.402 3.262 20 30 CGEDMO C=CC[N@@H+](CCOC)Cc1cnc(C2CCC2)s1 ZINC000361645439 381855962 /nfs/dbraw/zinc/85/59/62/381855962.db2.gz RZRKXYQVAIOFME-UHFFFAOYSA-N 1 1 266.410 3.045 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cnc(C2CCC2)s1 ZINC000361645439 381855968 /nfs/dbraw/zinc/85/59/68/381855968.db2.gz RZRKXYQVAIOFME-UHFFFAOYSA-N 1 1 266.410 3.045 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000361648889 381858914 /nfs/dbraw/zinc/85/89/14/381858914.db2.gz VINUEFSLZJZICU-HRCADAONSA-N 1 1 267.413 3.001 20 30 CGEDMO Cc1cc([C@H]2CCC[N@@H+]2CC#Cc2ccccc2)on1 ZINC000361688734 381864625 /nfs/dbraw/zinc/86/46/25/381864625.db2.gz BYRCLBOFNFLLFT-MRXNPFEDSA-N 1 1 266.344 3.172 20 30 CGEDMO Cc1cc([C@H]2CCC[N@H+]2CC#Cc2ccccc2)on1 ZINC000361688734 381864631 /nfs/dbraw/zinc/86/46/31/381864631.db2.gz BYRCLBOFNFLLFT-MRXNPFEDSA-N 1 1 266.344 3.172 20 30 CGEDMO COCC[N@@H+](Cc1ccc(CC#N)cc1)[C@@H]1CC[C@@H](C)C1 ZINC000362157817 381891850 /nfs/dbraw/zinc/89/18/50/381891850.db2.gz QPXPURZSWGMIED-CRAIPNDOSA-N 1 1 286.419 3.390 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@](C)(CC)C1 ZINC000362383780 381966037 /nfs/dbraw/zinc/96/60/37/381966037.db2.gz BNOSSPBWUBROAP-WBVHZDCISA-N 1 1 278.440 3.088 20 30 CGEDMO CC[C@]1(C)CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000362384503 381967104 /nfs/dbraw/zinc/96/71/04/381967104.db2.gz GULJCEMQGWECDY-GOSISDBHSA-N 1 1 299.418 3.399 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000362439834 381991184 /nfs/dbraw/zinc/99/11/84/381991184.db2.gz PMPMWFYZXMAWCT-KGLIPLIRSA-N 1 1 267.376 3.431 20 30 CGEDMO Cc1cc(C[N@@H+]2CCn3cccc3[C@@H]2C)ccc1C#N ZINC000362961134 382165656 /nfs/dbraw/zinc/16/56/56/382165656.db2.gz USATWRAIHYIZGR-AWEZNQCLSA-N 1 1 265.360 3.245 20 30 CGEDMO Cc1cc(C[N@H+]2CCn3cccc3[C@@H]2C)ccc1C#N ZINC000362961134 382165661 /nfs/dbraw/zinc/16/56/61/382165661.db2.gz USATWRAIHYIZGR-AWEZNQCLSA-N 1 1 265.360 3.245 20 30 CGEDMO C=C(Cl)C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000363905530 382259076 /nfs/dbraw/zinc/25/90/76/382259076.db2.gz YHNHRGIFGXRGLM-UHFFFAOYSA-N 1 1 263.768 3.260 20 30 CGEDMO C=CC[N@H+](Cc1nc2ccccc2nc1C)C1CC1 ZINC000271491679 542366123 /nfs/dbraw/zinc/36/61/23/542366123.db2.gz USCIQTOMVJWIGX-UHFFFAOYSA-N 1 1 253.349 3.089 20 30 CGEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H]4CCCC[C@@H]43)n2c1 ZINC000353904057 220399766 /nfs/dbraw/zinc/39/97/66/220399766.db2.gz XHRPTATZGHXFMI-RDJZCZTQSA-N 1 1 294.402 3.361 20 30 CGEDMO CSCCC[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000281553623 195285951 /nfs/dbraw/zinc/28/59/51/195285951.db2.gz XQWQRYVDWJAIAE-UHFFFAOYSA-N 1 1 268.813 3.397 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+]([C@H](C)C1CC1)C1CC1 ZINC000178914116 533266868 /nfs/dbraw/zinc/26/68/68/533266868.db2.gz JDWFRUGSKXRVHO-GFCCVEGCSA-N 1 1 270.376 3.330 20 30 CGEDMO Cc1[nH]nc(-c2ccccc2)c1NC(=O)[C@H]1CCC[N@H+]1C ZINC000330189846 533655348 /nfs/dbraw/zinc/65/53/48/533655348.db2.gz VPTDHCWFFHTCTI-CYBMUJFWSA-N 1 1 284.363 3.067 20 30 CGEDMO Cc1[nH]nc(-c2ccccc2)c1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000330189846 533655361 /nfs/dbraw/zinc/65/53/61/533655361.db2.gz VPTDHCWFFHTCTI-CYBMUJFWSA-N 1 1 284.363 3.067 20 30 CGEDMO C[C@H]1CCC[N@H+]1Cc1cc(C#N)ccc1Br ZINC000191801876 130306864 /nfs/dbraw/zinc/30/68/64/130306864.db2.gz BMJMEFNILNZUKJ-JTQLQIEISA-N 1 1 279.181 3.305 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1F)[C@H](C)CCOC ZINC000411185488 542629630 /nfs/dbraw/zinc/62/96/30/542629630.db2.gz MNNRYVUGBXMQMD-CYBMUJFWSA-N 1 1 251.345 3.239 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1cc(C)ccc1C ZINC000048617394 392005817 /nfs/dbraw/zinc/00/58/17/392005817.db2.gz MIKRQVCQUFOUCW-UHFFFAOYSA-N 1 1 260.381 3.140 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1cc(C)ccc1C ZINC000048617394 392005821 /nfs/dbraw/zinc/00/58/21/392005821.db2.gz MIKRQVCQUFOUCW-UHFFFAOYSA-N 1 1 260.381 3.140 20 30 CGEDMO C[N@@H+](CCOc1cccc(C#N)c1)CCc1ccccc1 ZINC000052000569 392075152 /nfs/dbraw/zinc/07/51/52/392075152.db2.gz SWUCONMOFJNHIO-UHFFFAOYSA-N 1 1 280.371 3.112 20 30 CGEDMO Cc1cccc(C[N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)c1 ZINC000048870914 392022581 /nfs/dbraw/zinc/02/25/81/392022581.db2.gz QNAPJBTWHDKCCC-SFHVURJKSA-N 1 1 280.371 3.032 20 30 CGEDMO C[N@@H+](CC(C)(C)CCC#N)[C@@H]1CCN(c2ccccc2)C1=O ZINC000093104828 392235817 /nfs/dbraw/zinc/23/58/17/392235817.db2.gz ZHOPOMDWBNKKNF-MRXNPFEDSA-N 1 1 299.418 3.054 20 30 CGEDMO C[C@@H]1C[NH+](Cc2cc(C#N)ccc2F)C[C@@H](C)S1 ZINC000070383173 392182549 /nfs/dbraw/zinc/18/25/49/392182549.db2.gz NLLQFUSAIULEIL-GHMZBOCLSA-N 1 1 264.369 3.023 20 30 CGEDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C#N)c(F)c2)C[C@@H]1C ZINC000361836285 392338619 /nfs/dbraw/zinc/33/86/19/392338619.db2.gz DZLPJSBHDGFVRJ-XJKSGUPXSA-N 1 1 289.398 3.002 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)CCOc1ccc(C#N)cc1 ZINC000109811731 392375161 /nfs/dbraw/zinc/37/51/61/392375161.db2.gz LBEYSLXEKZAVPL-UHFFFAOYSA-N 1 1 285.391 3.199 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)CCOc1ccc(C#N)cc1 ZINC000109811731 392375168 /nfs/dbraw/zinc/37/51/68/392375168.db2.gz LBEYSLXEKZAVPL-UHFFFAOYSA-N 1 1 285.391 3.199 20 30 CGEDMO Cc1ccc[nH+]c1NCc1ccc(N(C)CCC#N)cc1 ZINC000121260546 392411901 /nfs/dbraw/zinc/41/19/01/392411901.db2.gz MJOAHLGUMUCSBH-UHFFFAOYSA-N 1 1 280.375 3.352 20 30 CGEDMO Cc1cc[nH+]c(NCc2ccc(N(C)CCC#N)cc2)c1 ZINC000121507486 392414785 /nfs/dbraw/zinc/41/47/85/392414785.db2.gz PBOICVRNWLGTCD-UHFFFAOYSA-N 1 1 280.375 3.352 20 30 CGEDMO C(#Cc1ccccc1)C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000289484412 392422490 /nfs/dbraw/zinc/42/24/90/392422490.db2.gz IOYJVSLAZDNOKU-ROUUACIJSA-N 1 1 281.399 3.072 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000289484412 392422496 /nfs/dbraw/zinc/42/24/96/392422496.db2.gz IOYJVSLAZDNOKU-ROUUACIJSA-N 1 1 281.399 3.072 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC3(CC(OCC)C3)C2)cc1 ZINC000289510838 392423046 /nfs/dbraw/zinc/42/30/46/392423046.db2.gz GSSKFFLJDPABLL-UHFFFAOYSA-N 1 1 299.414 3.090 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)CC1CCC(=O)CC1 ZINC000290046257 392439455 /nfs/dbraw/zinc/43/94/55/392439455.db2.gz OINXFLWTKSYZLA-UHFFFAOYSA-N 1 1 287.403 3.443 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000366161499 392451119 /nfs/dbraw/zinc/45/11/19/392451119.db2.gz CSWSLAAOXKYVBO-HZPDHXFCSA-N 1 1 277.433 3.104 20 30 CGEDMO Cn1ccnc1C[C@@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000119991786 392398954 /nfs/dbraw/zinc/39/89/54/392398954.db2.gz INUQZDDNBUOXER-HNNXBMFYSA-N 1 1 288.439 3.005 20 30 CGEDMO N#Cc1c(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)cn2ccccc12 ZINC000153340455 392514699 /nfs/dbraw/zinc/51/46/99/392514699.db2.gz RBMBEMQGZJVYGS-OKILXGFUSA-N 1 1 265.360 3.043 20 30 CGEDMO CO[C@H]1CC[N@H+]([C@@H](C)c2cccc(C#N)c2)CC1(C)C ZINC000296165616 392554556 /nfs/dbraw/zinc/55/45/56/392554556.db2.gz UQYCXHSNLNVOIB-BBRMVZONSA-N 1 1 272.392 3.366 20 30 CGEDMO C[C@@H]1SCC[N@H+](Cc2cccc(C#N)c2F)[C@H]1C ZINC000300239699 392581671 /nfs/dbraw/zinc/58/16/71/392581671.db2.gz CTALSFLEXGMIGH-QWRGUYRKSA-N 1 1 264.369 3.023 20 30 CGEDMO C[C@@H]1SCC[N@@H+](Cc2cccc(C#N)c2F)[C@H]1C ZINC000300239699 392581673 /nfs/dbraw/zinc/58/16/73/392581673.db2.gz CTALSFLEXGMIGH-QWRGUYRKSA-N 1 1 264.369 3.023 20 30 CGEDMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2CCCCC#N)C1 ZINC000373910613 392664813 /nfs/dbraw/zinc/66/48/13/392664813.db2.gz HABJQNBUFRRHQO-TWMKSMIVSA-N 1 1 278.440 3.332 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000374014437 392666984 /nfs/dbraw/zinc/66/69/84/392666984.db2.gz NXXWPFXNRROFLV-IXDOHACOSA-N 1 1 281.440 3.391 20 30 CGEDMO Cc1ccc(N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)nc1C#N ZINC000302826754 392621331 /nfs/dbraw/zinc/62/13/31/392621331.db2.gz NDYKOPKTCQGJBZ-YJBOKZPZSA-N 1 1 292.386 3.119 20 30 CGEDMO CC[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)CCCO1 ZINC000305989444 392635049 /nfs/dbraw/zinc/63/50/49/392635049.db2.gz UALIRWSVDGEUJW-CQSZACIVSA-N 1 1 252.402 3.207 20 30 CGEDMO COCC[N@@H+](CCCC(C)(C)C#N)Cc1ccc(C#N)cc1 ZINC000174835583 392647500 /nfs/dbraw/zinc/64/75/00/392647500.db2.gz FPHAJNARMKRVHI-UHFFFAOYSA-N 1 1 299.418 3.337 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000181326671 392728257 /nfs/dbraw/zinc/72/82/57/392728257.db2.gz VWKOWEWJOPSOQZ-LBPRGKRZSA-N 1 1 280.799 3.025 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+](C[C@@H](C)O)C1CCCCC1 ZINC000186205718 392778788 /nfs/dbraw/zinc/77/87/88/392778788.db2.gz CTOOKHVRBIPNFX-OAHLLOKOSA-N 1 1 286.419 3.382 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+](Cc1ccncc1)C1CC1 ZINC000186314161 392782635 /nfs/dbraw/zinc/78/26/35/392782635.db2.gz GDFLCDJILXHNEL-UHFFFAOYSA-N 1 1 277.371 3.426 20 30 CGEDMO CC[C@@H](C)[C@H](C)[N@@H+](Cc1ccc(C#N)cn1)C1CC1 ZINC000519759842 392891966 /nfs/dbraw/zinc/89/19/66/392891966.db2.gz PCDYKTNNFJNEFP-OLZOCXBDSA-N 1 1 257.381 3.352 20 30 CGEDMO COc1cccc(C[NH2+]Cc2ccc(C#N)cc2F)c1F ZINC000192680588 392857226 /nfs/dbraw/zinc/85/72/26/392857226.db2.gz FWKUNXLNBYPYJV-UHFFFAOYSA-N 1 1 288.297 3.135 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000648047673 392883247 /nfs/dbraw/zinc/88/32/47/392883247.db2.gz OGVLPNSAXDCRJX-MRXNPFEDSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CCOCC[N@H+](CC)[C@@H](C)c1ccc(F)cc1 ZINC000338924330 392935379 /nfs/dbraw/zinc/93/53/79/392935379.db2.gz HMJGORZULNYXTK-ZDUSSCGKSA-N 1 1 251.345 3.411 20 30 CGEDMO CC(C)C[C@@H]1CCCCC[N@H+]1CCOCCC#N ZINC000339004791 392938967 /nfs/dbraw/zinc/93/89/67/392938967.db2.gz YESLFKOURJSLMV-HNNXBMFYSA-N 1 1 252.402 3.207 20 30 CGEDMO CCC[C@]1(COC)CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000194942316 392947467 /nfs/dbraw/zinc/94/74/67/392947467.db2.gz HSFQDXUFDZCQLN-QGZVFWFLSA-N 1 1 290.382 3.478 20 30 CGEDMO COc1ccc(C[N@@H+]2CCC(F)(F)C[C@H]2C)cc1C#N ZINC000528774678 392971187 /nfs/dbraw/zinc/97/11/87/392971187.db2.gz VNPSZSRENPPVAD-LLVKDONJSA-N 1 1 280.318 3.186 20 30 CGEDMO COc1ccc(C[N@H+]2CCC(F)(F)C[C@H]2C)cc1C#N ZINC000528774678 392971193 /nfs/dbraw/zinc/97/11/93/392971193.db2.gz VNPSZSRENPPVAD-LLVKDONJSA-N 1 1 280.318 3.186 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)C[C@H]1CCCC(F)(F)C1 ZINC000411653553 392984392 /nfs/dbraw/zinc/98/43/92/392984392.db2.gz ZCDSLJMGMASDRQ-AWEZNQCLSA-N 1 1 274.399 3.252 20 30 CGEDMO CO[C@@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C[C@H]1C ZINC000411786104 392988811 /nfs/dbraw/zinc/98/88/11/392988811.db2.gz CWYMXZNBZGEEQT-HUUCEWRRSA-N 1 1 264.413 3.207 20 30 CGEDMO C=CCOc1ccc(CNCC[N@H+](C)[C@@H](C)CC)cc1 ZINC000217378537 392994336 /nfs/dbraw/zinc/99/43/36/392994336.db2.gz LTGCXLXRRFOUFW-HNNXBMFYSA-N 1 1 276.424 3.071 20 30 CGEDMO C=CCOc1ccc(C[NH2+]CCN(C)[C@@H](C)CC)cc1 ZINC000217378537 392994345 /nfs/dbraw/zinc/99/43/45/392994345.db2.gz LTGCXLXRRFOUFW-HNNXBMFYSA-N 1 1 276.424 3.071 20 30 CGEDMO N#CC1(C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)CC1 ZINC000343313740 393024121 /nfs/dbraw/zinc/02/41/21/393024121.db2.gz JZTUTPCGVWHLQV-MRXNPFEDSA-N 1 1 252.361 3.442 20 30 CGEDMO N#CC1(C[N@H+]2CCC[C@H]2CC(=O)c2ccc(F)cc2)CC1 ZINC000343315273 393024894 /nfs/dbraw/zinc/02/48/94/393024894.db2.gz WNVNDCCPUGJQLA-HNNXBMFYSA-N 1 1 286.350 3.167 20 30 CGEDMO N#CC1(C[N@@H+]2CCC[C@H]2CC(=O)c2ccc(F)cc2)CC1 ZINC000343315273 393024898 /nfs/dbraw/zinc/02/48/98/393024898.db2.gz WNVNDCCPUGJQLA-HNNXBMFYSA-N 1 1 286.350 3.167 20 30 CGEDMO CCN(CC1(C#N)CC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000343319302 393026100 /nfs/dbraw/zinc/02/61/00/393026100.db2.gz ZLIAVBVVVGMVKY-FUHWJXTLSA-N 1 1 297.446 3.448 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC[C@H]1CCCO1 ZINC000346282663 393081839 /nfs/dbraw/zinc/08/18/39/393081839.db2.gz RFRXBHCSSKJTIO-KZNAEPCWSA-N 1 1 284.403 3.327 20 30 CGEDMO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)CCC(C)(C)C#N ZINC000345734877 393066455 /nfs/dbraw/zinc/06/64/55/393066455.db2.gz YPAVNVOTUBSNAJ-ZIAGYGMSSA-N 1 1 266.429 3.452 20 30 CGEDMO C[N@@H+](CC1(C#N)CC1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000348818845 393132679 /nfs/dbraw/zinc/13/26/79/393132679.db2.gz IHWJESUAAAASDS-CVEARBPZSA-N 1 1 288.366 3.281 20 30 CGEDMO CC(C)[N@@H+]1CCC[C@@H](CN[C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000353430342 393222627 /nfs/dbraw/zinc/22/26/27/393222627.db2.gz WIXQGEQWKACWAD-QFBILLFUSA-N 1 1 297.446 3.256 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H](CN[C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000353430342 393222631 /nfs/dbraw/zinc/22/26/31/393222631.db2.gz WIXQGEQWKACWAD-QFBILLFUSA-N 1 1 297.446 3.256 20 30 CGEDMO C[NH+](C)C1(CN[C@@H]2CCc3ccc(C#N)cc32)CCCC1 ZINC000353431487 393223665 /nfs/dbraw/zinc/22/36/65/393223665.db2.gz ZFXTXOAPKGTMRJ-QGZVFWFLSA-N 1 1 283.419 3.010 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000570699529 393197984 /nfs/dbraw/zinc/19/79/84/393197984.db2.gz DAGNXWBTMNUQIN-INIZCTEOSA-N 1 1 263.356 3.150 20 30 CGEDMO CC(C)(C)C1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000356233588 393391167 /nfs/dbraw/zinc/39/11/67/393391167.db2.gz RBZJYDNKAGZPGW-UHFFFAOYSA-N 1 1 263.410 3.273 20 30 CGEDMO C=CCC1(C(=O)N2CC[N@@H+](CC)[C@H](C)C2)CCCCC1 ZINC000649226064 393376356 /nfs/dbraw/zinc/37/63/56/393376356.db2.gz IYBZGSNWRBLKGV-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC1(C(=O)N2CC[N@H+](CC)[C@H](C)C2)CCCCC1 ZINC000649226064 393376358 /nfs/dbraw/zinc/37/63/58/393376358.db2.gz IYBZGSNWRBLKGV-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421016196 393576511 /nfs/dbraw/zinc/57/65/11/393576511.db2.gz MFECTXRQWAFBLH-HUUCEWRRSA-N 1 1 272.392 3.104 20 30 CGEDMO C[N@@H+](CCOc1cccc(C#N)c1)C1(C)CCCC1 ZINC000490118379 393633192 /nfs/dbraw/zinc/63/31/92/393633192.db2.gz HODQKYBNINTIAJ-UHFFFAOYSA-N 1 1 258.365 3.202 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000361058772 393660403 /nfs/dbraw/zinc/66/04/03/393660403.db2.gz QNVLXRQNERHGCL-LSDHHAIUSA-N 1 1 284.403 3.152 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1Cc2ccccc2[C@@H]1C ZINC000361058772 393660410 /nfs/dbraw/zinc/66/04/10/393660410.db2.gz QNVLXRQNERHGCL-LSDHHAIUSA-N 1 1 284.403 3.152 20 30 CGEDMO C[C@@H]([NH2+]CC#Cc1ccccc1Cl)c1ccccn1 ZINC000361147269 393684807 /nfs/dbraw/zinc/68/48/07/393684807.db2.gz SUZWGMIILUXYLV-CYBMUJFWSA-N 1 1 270.763 3.437 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCOC(C)(C)C ZINC000442673610 393738794 /nfs/dbraw/zinc/73/87/94/393738794.db2.gz SXOVCKMKSMILOH-ZDUSSCGKSA-N 1 1 260.381 3.366 20 30 CGEDMO Cn1cc(C[NH2+]Cc2cc(F)c(Cl)cc2F)cc1C#N ZINC000433184816 393695816 /nfs/dbraw/zinc/69/58/16/393695816.db2.gz XWHYCZPFRNWPBG-UHFFFAOYSA-N 1 1 295.720 3.118 20 30 CGEDMO CC[C@H](NCC1([NH+](C)C)CCCC1)c1ccc(C#N)cc1 ZINC000447510574 393865018 /nfs/dbraw/zinc/86/50/18/393865018.db2.gz PVLZGBAPUHSZEX-KRWDZBQOSA-N 1 1 285.435 3.473 20 30 CGEDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1ccc(C#N)cc1OC ZINC000501212158 393848849 /nfs/dbraw/zinc/84/88/49/393848849.db2.gz VJWYIGYWOIOQKG-IUODEOHRSA-N 1 1 258.365 3.187 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451409286 394045230 /nfs/dbraw/zinc/04/52/30/394045230.db2.gz AHAXMRALNITYFI-BVPBIZIASA-N 1 1 284.403 3.245 20 30 CGEDMO CC[C@H]1CN(CC)CC[N@H+]1CCCCC(C)(C)C#N ZINC000451745664 394047420 /nfs/dbraw/zinc/04/74/20/394047420.db2.gz XXEXJYABYOGNRS-HNNXBMFYSA-N 1 1 265.445 3.123 20 30 CGEDMO CC[C@H]1C[N@H+](CC)CCN1CCCCC(C)(C)C#N ZINC000451745664 394047423 /nfs/dbraw/zinc/04/74/23/394047423.db2.gz XXEXJYABYOGNRS-HNNXBMFYSA-N 1 1 265.445 3.123 20 30 CGEDMO CC[C@H]1C[N@@H+](CC)CCN1CCCCC(C)(C)C#N ZINC000451745664 394047425 /nfs/dbraw/zinc/04/74/25/394047425.db2.gz XXEXJYABYOGNRS-HNNXBMFYSA-N 1 1 265.445 3.123 20 30 CGEDMO Cc1cc(C#N)cc(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)c1 ZINC000456955423 394300567 /nfs/dbraw/zinc/30/05/67/394300567.db2.gz BVIXNBYDVFOUCG-KRWDZBQOSA-N 1 1 297.402 3.212 20 30 CGEDMO C=CCN(Cc1c[nH+]c2n1CCC2)c1ccccc1 ZINC000668040996 542962491 /nfs/dbraw/zinc/96/24/91/542962491.db2.gz IHNBSRABAVYBOA-UHFFFAOYSA-N 1 1 253.349 3.022 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000669694677 543118740 /nfs/dbraw/zinc/11/87/40/543118740.db2.gz DCHVLGXFJFFXTC-CVEARBPZSA-N 1 1 285.435 3.201 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)C(C)(C)c1ccccc1 ZINC000671246846 543165068 /nfs/dbraw/zinc/16/50/68/543165068.db2.gz POAJUHRJYUSBOG-UHFFFAOYSA-N 1 1 288.435 3.278 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H]2C2CC2)c1C ZINC000674052752 543265259 /nfs/dbraw/zinc/26/52/59/543265259.db2.gz VTGBSOAAOMMUQV-QGZVFWFLSA-N 1 1 286.419 3.348 20 30 CGEDMO C[NH+](C)C(C)(C)CNCc1ccc(C#N)cc1C(F)(F)F ZINC000352854118 397686410 /nfs/dbraw/zinc/68/64/10/397686410.db2.gz PZSIMCLGWDKTEB-UHFFFAOYSA-N 1 1 299.340 3.007 20 30 CGEDMO FC1(F)C[C@@]12CC[N@@H+](CC#Cc1ccc(Cl)cc1)C2 ZINC000649904532 397750691 /nfs/dbraw/zinc/75/06/91/397750691.db2.gz HNKYAZQKAAGZNT-CQSZACIVSA-N 1 1 281.733 3.423 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000675496952 543343941 /nfs/dbraw/zinc/34/39/41/543343941.db2.gz FPIWUKMIOXCECA-IUODEOHRSA-N 1 1 263.356 3.072 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000677476733 543450256 /nfs/dbraw/zinc/45/02/56/543450256.db2.gz CZQGTSKWDDXHDM-KBPBESRZSA-N 1 1 288.416 3.370 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000677476736 543450346 /nfs/dbraw/zinc/45/03/46/543450346.db2.gz CZQGTSKWDDXHDM-ZIAGYGMSSA-N 1 1 288.416 3.370 20 30 CGEDMO CCC[N@@H+](CC#CCOC)[C@H](C)c1ccccc1OC ZINC000677818963 543468331 /nfs/dbraw/zinc/46/83/31/543468331.db2.gz ZBCQLLFGYCRZHO-OAHLLOKOSA-N 1 1 275.392 3.118 20 30 CGEDMO CCC#C[C@H](C)[N@@H+](CC)CC1CCN(c2ccccn2)CC1 ZINC000677950862 543474314 /nfs/dbraw/zinc/47/43/14/543474314.db2.gz AKPCDXCAYJCYDY-KRWDZBQOSA-N 1 1 299.462 3.422 20 30 CGEDMO CCC#C[C@@H](C)[N@H+](C)Cc1cc(Br)cn1C ZINC000678220194 543494736 /nfs/dbraw/zinc/49/47/36/543494736.db2.gz RPHKZDIJQJDGAN-LLVKDONJSA-N 1 1 283.213 3.021 20 30 CGEDMO CCC#C[C@@H](C)[N@@H+](C)Cc1cc(Br)cn1C ZINC000678220194 543494739 /nfs/dbraw/zinc/49/47/39/543494739.db2.gz RPHKZDIJQJDGAN-LLVKDONJSA-N 1 1 283.213 3.021 20 30 CGEDMO C=CCCC[N@H+](C)Cc1c[nH]nc1-c1cccc(OC)c1 ZINC000678275495 543508905 /nfs/dbraw/zinc/50/89/05/543508905.db2.gz UVWFSNXAVJYQGT-UHFFFAOYSA-N 1 1 285.391 3.483 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+](C)CCOC(C)(C)C ZINC000678284702 543512033 /nfs/dbraw/zinc/51/20/33/543512033.db2.gz WPXHOGMLEICMEX-UHFFFAOYSA-N 1 1 277.408 3.498 20 30 CGEDMO C[C@@H](NCC1(C[NH+](C)C)CCCC1)c1cccc(C#N)c1 ZINC000183951927 287017423 /nfs/dbraw/zinc/01/74/23/287017423.db2.gz ALVLRLYXIUOXFF-OAHLLOKOSA-N 1 1 285.435 3.331 20 30 CGEDMO C[N@@H+](CCc1ccccc1F)Cc1ccc(C#N)cc1 ZINC000068862681 165047126 /nfs/dbraw/zinc/04/71/26/165047126.db2.gz FITOGKLSKCVZJX-UHFFFAOYSA-N 1 1 268.335 3.372 20 30 CGEDMO CC[N@H+]1CCC[C@H]1CNc1cc(C#N)c2ccccc2n1 ZINC000068769867 165047555 /nfs/dbraw/zinc/04/75/55/165047555.db2.gz GXHTXIZHIIIYGF-AWEZNQCLSA-N 1 1 280.375 3.003 20 30 CGEDMO COc1ccc(C[N@@H+](CC(C)C)C(C)C)cc1C#N ZINC000087833301 165189934 /nfs/dbraw/zinc/18/99/34/165189934.db2.gz IVTJUCXPRCAYDV-UHFFFAOYSA-N 1 1 260.381 3.433 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)N1CCC2(CCC[N@H+]2C)CC1 ZINC000335111459 287130891 /nfs/dbraw/zinc/13/08/91/287130891.db2.gz PYPRQSAJWAOELW-HNNXBMFYSA-N 1 1 283.419 3.179 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000071814627 176268860 /nfs/dbraw/zinc/26/88/60/176268860.db2.gz MCLWOCQNHMFYPU-CQSZACIVSA-N 1 1 292.398 3.243 20 30 CGEDMO CCC#C[C@H](C)[NH2+][C@@H](COCC(C)C)c1ccco1 ZINC000680391269 543707900 /nfs/dbraw/zinc/70/79/00/543707900.db2.gz IEGSFZGTMBJIFC-GJZGRUSLSA-N 1 1 263.381 3.385 20 30 CGEDMO C=CCOCCNc1c(C)c[nH+]c2c(OC)cccc12 ZINC000682468896 543847755 /nfs/dbraw/zinc/84/77/55/543847755.db2.gz NTCOEMZKMFNYLU-UHFFFAOYSA-N 1 1 272.348 3.166 20 30 CGEDMO CCC#C[C@H](C)[N@@H+](C)CCCOCc1ccccc1 ZINC000685007402 544051869 /nfs/dbraw/zinc/05/18/69/544051869.db2.gz PHBMZLMRVOEHQM-INIZCTEOSA-N 1 1 259.393 3.327 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2ccc(Br)cc2)o1 ZINC000135164275 287462563 /nfs/dbraw/zinc/46/25/63/287462563.db2.gz ZJDZPFAMCQMDDN-UHFFFAOYSA-N 1 1 291.148 3.204 20 30 CGEDMO C=CCCNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000664374789 418944172 /nfs/dbraw/zinc/94/41/72/418944172.db2.gz NSOIXFFHEWYJMD-ZDUSSCGKSA-N 1 1 298.390 3.117 20 30 CGEDMO C=CCOCCCNc1cc(C(F)(F)F)cc(C)[nH+]1 ZINC000664385040 418946523 /nfs/dbraw/zinc/94/65/23/418946523.db2.gz QANBNKZLVLNANY-UHFFFAOYSA-N 1 1 274.286 3.413 20 30 CGEDMO C=CCCn1cc(C[N@H+]2CCC[C@@H]2c2ccc(C)cc2)nn1 ZINC000653474326 419032879 /nfs/dbraw/zinc/03/28/79/419032879.db2.gz KIOQCBGOXMSJLB-GOSISDBHSA-N 1 1 296.418 3.500 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CCC[C@@H]2c2ccc(C)cc2)nn1 ZINC000653474326 419032882 /nfs/dbraw/zinc/03/28/82/419032882.db2.gz KIOQCBGOXMSJLB-GOSISDBHSA-N 1 1 296.418 3.500 20 30 CGEDMO C=CCCn1cc(C[N@H+]2CCC[C@@H]2Cc2ccccc2)nn1 ZINC000653482760 419035020 /nfs/dbraw/zinc/03/50/20/419035020.db2.gz FQMDFSIJWMYTBR-GOSISDBHSA-N 1 1 296.418 3.061 20 30 CGEDMO C=CCCn1cc(C[N@H+](C)[C@H](C)Cc2ccc(C)cc2)nn1 ZINC000653557688 419047919 /nfs/dbraw/zinc/04/79/19/419047919.db2.gz BRFRTSCOEHQADE-MRXNPFEDSA-N 1 1 298.434 3.226 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CC[C@H](c3ccccc3)[C@H]2C)nn1 ZINC000653567499 419052218 /nfs/dbraw/zinc/05/22/18/419052218.db2.gz LPGSIPWHSWLYLR-QAPCUYQASA-N 1 1 296.418 3.232 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@H](C)c2ccc(F)c(C)c2)nn1 ZINC000653607336 419058672 /nfs/dbraw/zinc/05/86/72/419058672.db2.gz ZVKAHJCRDWKGAU-CYBMUJFWSA-N 1 1 288.370 3.153 20 30 CGEDMO C=CC[C@@H]1[N@@H+](C[C@@H](OC)[C@H]2CCOC2)CCCC1(C)C ZINC000660423763 419141990 /nfs/dbraw/zinc/14/19/90/419141990.db2.gz VWVDIBKQOIGLTP-XHSDSOJGSA-N 1 1 281.440 3.105 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000660624793 419170401 /nfs/dbraw/zinc/17/04/01/419170401.db2.gz AKPZBFMGRYWTJS-GOSISDBHSA-N 1 1 276.383 3.313 20 30 CGEDMO CC#CCN(C)[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 ZINC000660708626 419184543 /nfs/dbraw/zinc/18/45/43/419184543.db2.gz RUIQFXQXEQWXLZ-JTQLQIEISA-N 1 1 261.756 3.232 20 30 CGEDMO C=CC[N@@H+](CC#Cc1cccc(Cl)c1)[C@@H](C)COC ZINC000661242867 419244682 /nfs/dbraw/zinc/24/46/82/419244682.db2.gz UZPBIVCIQDGYAZ-AWEZNQCLSA-N 1 1 277.795 3.214 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1OC(F)F)[C@H](C)COC ZINC000661243814 419244819 /nfs/dbraw/zinc/24/48/19/419244819.db2.gz NVXXPPGVRTXBRC-GFCCVEGCSA-N 1 1 285.334 3.311 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2nc(CCC(C)C)no2)C1 ZINC000661379107 419255331 /nfs/dbraw/zinc/25/53/31/419255331.db2.gz SVYHMUWLNIRMCN-CQSZACIVSA-N 1 1 277.412 3.446 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2nc(CCC(C)C)no2)C1 ZINC000661379107 419255333 /nfs/dbraw/zinc/25/53/33/419255333.db2.gz SVYHMUWLNIRMCN-CQSZACIVSA-N 1 1 277.412 3.446 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2nc(C(C)(C)C)no2)C1 ZINC000661378006 419255564 /nfs/dbraw/zinc/25/55/64/419255564.db2.gz ZGOSDZHBBBEGKR-GFCCVEGCSA-N 1 1 263.385 3.155 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2nc(C(C)(C)C)no2)C1 ZINC000661378006 419255566 /nfs/dbraw/zinc/25/55/66/419255566.db2.gz ZGOSDZHBBBEGKR-GFCCVEGCSA-N 1 1 263.385 3.155 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CCN2CCC(C)CC2)C1 ZINC000661379985 419255760 /nfs/dbraw/zinc/25/57/60/419255760.db2.gz CPKZOTPCTJQDLJ-MRXNPFEDSA-N 1 1 250.430 3.006 20 30 CGEDMO C=CC[C@@H]1CCCN(CC[NH+]2CCC(C)CC2)C1 ZINC000661379985 419255763 /nfs/dbraw/zinc/25/57/63/419255763.db2.gz CPKZOTPCTJQDLJ-MRXNPFEDSA-N 1 1 250.430 3.006 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](C)c2nnc(C)s2)C1 ZINC000661383348 419255769 /nfs/dbraw/zinc/25/57/69/419255769.db2.gz CKLDGZHACGKCPI-CMPLNLGQSA-N 1 1 251.399 3.196 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cc3ccccc3n(C)c2=O)C1 ZINC000661383920 419255850 /nfs/dbraw/zinc/25/58/50/419255850.db2.gz FXNQUAJGKBKMAS-OAHLLOKOSA-N 1 1 296.414 3.327 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](CCC(=O)N(C)c2ccccc2)C1 ZINC000661381603 419255917 /nfs/dbraw/zinc/25/59/17/419255917.db2.gz NGCXZKWIBWZOSB-INIZCTEOSA-N 1 1 286.419 3.328 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2F)C1 ZINC000661378717 419255966 /nfs/dbraw/zinc/25/59/66/419255966.db2.gz KYNMFOMMQPWRFH-CYBMUJFWSA-N 1 1 276.355 3.052 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2F)C1 ZINC000661378717 419255968 /nfs/dbraw/zinc/25/59/68/419255968.db2.gz KYNMFOMMQPWRFH-CYBMUJFWSA-N 1 1 276.355 3.052 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](CC(=O)c2cc(C)[nH]c2C)C1 ZINC000661380393 419256166 /nfs/dbraw/zinc/25/61/66/419256166.db2.gz GMDZIIVBSXYGGO-AWEZNQCLSA-N 1 1 260.381 3.102 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2ccc(OCC)cn2)C1 ZINC000661380269 419256219 /nfs/dbraw/zinc/25/62/19/419256219.db2.gz LWFVZRAUDWTEGH-AWEZNQCLSA-N 1 1 260.381 3.268 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@H]2CCc3ccccc3NC2=O)C1 ZINC000661387601 419256361 /nfs/dbraw/zinc/25/63/61/419256361.db2.gz YXTIZWDXMAJTEC-YOEHRIQHSA-N 1 1 284.403 3.228 20 30 CGEDMO C=CCOc1ccc(C[NH+]2CC3(CC(F)C3)C2)cc1OC ZINC000656694027 419204972 /nfs/dbraw/zinc/20/49/72/419204972.db2.gz YIDPCOJLMKJHCM-UHFFFAOYSA-N 1 1 291.366 3.194 20 30 CGEDMO C=CC[N@H+](Cc1nncn1-c1ccccc1)C(C)(C)C ZINC000661757000 419295050 /nfs/dbraw/zinc/29/50/50/419295050.db2.gz AWIUFKHIMKQWLR-UHFFFAOYSA-N 1 1 270.380 3.054 20 30 CGEDMO C=CC[N@@H+](Cc1nncn1-c1ccccc1)C(C)(C)C ZINC000661757000 419295051 /nfs/dbraw/zinc/29/50/51/419295051.db2.gz AWIUFKHIMKQWLR-UHFFFAOYSA-N 1 1 270.380 3.054 20 30 CGEDMO C=CC[N@H+](CCC(=O)Nc1ccccc1F)C(C)(C)C ZINC000661755119 419295314 /nfs/dbraw/zinc/29/53/14/419295314.db2.gz KIPUKEOXSVNQOW-UHFFFAOYSA-N 1 1 278.371 3.441 20 30 CGEDMO C=CC[N@@H+](Cc1nc(-c2cc(C)ccn2)no1)C(C)(C)C ZINC000661758645 419295618 /nfs/dbraw/zinc/29/56/18/419295618.db2.gz UUQNNXBHPTYPFR-UHFFFAOYSA-N 1 1 286.379 3.227 20 30 CGEDMO C=CC[N@H+](Cc1nc(-c2cc(C)ccn2)no1)C(C)(C)C ZINC000661758645 419295620 /nfs/dbraw/zinc/29/56/20/419295620.db2.gz UUQNNXBHPTYPFR-UHFFFAOYSA-N 1 1 286.379 3.227 20 30 CGEDMO C=CC[N@H+](Cc1nc2ccccc2n1C)C(C)(C)C ZINC000661759175 419296168 /nfs/dbraw/zinc/29/61/68/419296168.db2.gz CKMOYBCGIBQGBQ-UHFFFAOYSA-N 1 1 257.381 3.360 20 30 CGEDMO C=CCC1([NH2+]Cc2c[nH]c(-c3ccccc3)n2)CCOCC1 ZINC000657632916 419317377 /nfs/dbraw/zinc/31/73/77/419317377.db2.gz BYXLCJLLAKBBCL-UHFFFAOYSA-N 1 1 297.402 3.292 20 30 CGEDMO C[C@]12CC[N@@H+](Cc3ccc(CC#N)cc3)C[C@H]1C2(F)F ZINC000336115762 228190022 /nfs/dbraw/zinc/19/00/22/228190022.db2.gz YYGMKWCFVRQMMZ-CABCVRRESA-N 1 1 276.330 3.230 20 30 CGEDMO C=CCCCN1CC[N@H+](CCCC=C)[C@H](C)[C@H]1C ZINC000662225218 419367264 /nfs/dbraw/zinc/36/72/64/419367264.db2.gz KKWSNPLLFXAERV-HZPDHXFCSA-N 1 1 250.430 3.313 20 30 CGEDMO N#CCCCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000370678489 260002489 /nfs/dbraw/zinc/00/24/89/260002489.db2.gz WZEBMISRSPLGNK-RBUKOAKNSA-N 1 1 297.446 3.134 20 30 CGEDMO N#CCCCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000370678489 260002491 /nfs/dbraw/zinc/00/24/91/260002491.db2.gz WZEBMISRSPLGNK-RBUKOAKNSA-N 1 1 297.446 3.134 20 30 CGEDMO N#CCCCC[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000370678489 260002494 /nfs/dbraw/zinc/00/24/94/260002494.db2.gz WZEBMISRSPLGNK-RBUKOAKNSA-N 1 1 297.446 3.134 20 30 CGEDMO N#CCCCC[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000370678489 260002496 /nfs/dbraw/zinc/00/24/96/260002496.db2.gz WZEBMISRSPLGNK-RBUKOAKNSA-N 1 1 297.446 3.134 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000117872149 260117689 /nfs/dbraw/zinc/11/76/89/260117689.db2.gz OKXNOIJQDGLFMI-HNNXBMFYSA-N 1 1 288.439 3.150 20 30 CGEDMO C=CC[N@H+](CCc1cncn1C)Cc1ccc(Cl)s1 ZINC000297908761 260137492 /nfs/dbraw/zinc/13/74/92/260137492.db2.gz SDXQCPQOSRHOLE-UHFFFAOYSA-N 1 1 295.839 3.366 20 30 CGEDMO C[C@@H]1C[C@H](Nc2cccc(OCCCC#N)c2)CC[N@H+]1C ZINC000127966940 260371156 /nfs/dbraw/zinc/37/11/56/260371156.db2.gz FUZKUOCAYYOSFU-GDBMZVCRSA-N 1 1 287.407 3.264 20 30 CGEDMO N#Cc1cccc(C[NH2+]Cc2cn3cc(Cl)ccc3n2)c1 ZINC000042207826 260612067 /nfs/dbraw/zinc/61/20/67/260612067.db2.gz SZAGHJZCFQEFPP-UHFFFAOYSA-N 1 1 296.761 3.149 20 30 CGEDMO C=CCCC(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000102337799 261215095 /nfs/dbraw/zinc/21/50/95/261215095.db2.gz ALXDDPCAUCINSI-UHFFFAOYSA-N 1 1 293.436 3.424 20 30 CGEDMO CC[N@@H+](Cc1ccc(OC(C)C)cc1)C[C@H](C)C#N ZINC000102397859 261232439 /nfs/dbraw/zinc/23/24/39/261232439.db2.gz BWRVZEQPQLRCLM-CQSZACIVSA-N 1 1 260.381 3.455 20 30 CGEDMO CC[N@H+](Cc1ccc(OC(C)C)cc1)C[C@H](C)C#N ZINC000102397859 261232440 /nfs/dbraw/zinc/23/24/40/261232440.db2.gz BWRVZEQPQLRCLM-CQSZACIVSA-N 1 1 260.381 3.455 20 30 CGEDMO N#CCCCC[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000175952584 261257493 /nfs/dbraw/zinc/25/74/93/261257493.db2.gz HMRYWLXHWADBTM-GOSISDBHSA-N 1 1 286.419 3.404 20 30 CGEDMO CO[C@H](C)c1nc(CO[NH+]=C(N)C2CCCCC2)cs1 ZINC000177565545 261705610 /nfs/dbraw/zinc/70/56/10/261705610.db2.gz WDYDFRNZXCGFCS-SNVBAGLBSA-N 1 1 297.424 3.220 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(SC)c(OC)c1 ZINC000184093172 262009174 /nfs/dbraw/zinc/00/91/74/262009174.db2.gz XQPXDJXEGMWIPP-GFCCVEGCSA-N 1 1 264.394 3.199 20 30 CGEDMO C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CCCCC#N ZINC000184752821 262028890 /nfs/dbraw/zinc/02/88/90/262028890.db2.gz AVUSHIGLIDERGV-IRXDYDNUSA-N 1 1 299.462 3.426 20 30 CGEDMO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2nnc(-c3ccccc3)s2)C1 ZINC000193020856 262214491 /nfs/dbraw/zinc/21/44/91/262214491.db2.gz ZJAXEGRIHSDFHK-TZMCWYRMSA-N 1 1 298.415 3.377 20 30 CGEDMO C=CC1CC[NH+]([C@H](C)c2nc(CCCC)no2)CC1 ZINC000111258515 262258808 /nfs/dbraw/zinc/25/88/08/262258808.db2.gz ZOIPCYWKMMEEHG-GFCCVEGCSA-N 1 1 263.385 3.371 20 30 CGEDMO C=CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(F)cc2F)CC1 ZINC000111260297 262258951 /nfs/dbraw/zinc/25/89/51/262258951.db2.gz XXDYBXCGIAZDRC-LLVKDONJSA-N 1 1 294.345 3.190 20 30 CGEDMO Cn1ccnc1[C@@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000365630752 262376847 /nfs/dbraw/zinc/37/68/47/262376847.db2.gz PKOPXBNUQRCWCT-OAHLLOKOSA-N 1 1 288.439 3.320 20 30 CGEDMO C[N@@H+](CCCCC(C)(C)C#N)[C@@H](CO)C(C)(C)C ZINC000336783843 262394622 /nfs/dbraw/zinc/39/46/22/262394622.db2.gz GYYXMYWJGAPMLE-ZDUSSCGKSA-N 1 1 254.418 3.045 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000336803730 262395744 /nfs/dbraw/zinc/39/57/44/262395744.db2.gz ZNJIQMFXSIRPJB-INIZCTEOSA-N 1 1 264.413 3.209 20 30 CGEDMO CCOCCC[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000336820937 262397755 /nfs/dbraw/zinc/39/77/55/262397755.db2.gz FZGARYRCCFDXGL-IAGOWNOFSA-N 1 1 272.392 3.185 20 30 CGEDMO CCC[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)CCO1 ZINC000411420015 262693541 /nfs/dbraw/zinc/69/35/41/262693541.db2.gz PZFUJZDXWBOHBX-OAHLLOKOSA-N 1 1 264.413 3.351 20 30 CGEDMO C[C@H]([NH2+]CCCCC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272528286 263005864 /nfs/dbraw/zinc/00/58/64/263005864.db2.gz QPXQWDSRJAYNFW-WMZOPIPTSA-N 1 1 285.435 3.180 20 30 CGEDMO C[C@H]([NH2+]CCCCC#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272528286 263005865 /nfs/dbraw/zinc/00/58/65/263005865.db2.gz QPXQWDSRJAYNFW-WMZOPIPTSA-N 1 1 285.435 3.180 20 30 CGEDMO C[C@H]1CCC[C@H](CO)[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000272642269 263007852 /nfs/dbraw/zinc/00/78/52/263007852.db2.gz LUBUQKKXAIZUIG-GOEBONIOSA-N 1 1 286.419 3.223 20 30 CGEDMO C[C@H](CCC#N)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000276283987 263035605 /nfs/dbraw/zinc/03/56/05/263035605.db2.gz GLNGLRRALQAKOF-DKISHCGFSA-N 1 1 283.419 3.010 20 30 CGEDMO COc1c(C)c[nH+]c(CN2CCCC(C)(C)[C@@H]2C#N)c1C ZINC000277693398 263042787 /nfs/dbraw/zinc/04/27/87/263042787.db2.gz HFAFHMOEAPLWAP-HNNXBMFYSA-N 1 1 287.407 3.221 20 30 CGEDMO N#CC1CCC(CNc2[nH]c3ccccc3[nH+]2)CC1 ZINC000281531015 263069931 /nfs/dbraw/zinc/06/99/31/263069931.db2.gz AINBIHWPZOFOPS-UHFFFAOYSA-N 1 1 254.337 3.305 20 30 CGEDMO C=C[C@H](CC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000340117792 263073070 /nfs/dbraw/zinc/07/30/70/263073070.db2.gz GLXKVNRWTIOIOW-NJAFHUGGSA-N 1 1 298.430 3.089 20 30 CGEDMO CCc1ccc([C@@H]2CC[N@@H+](C[C@@H](C#N)CCC#N)C2)cc1 ZINC000293398688 263139684 /nfs/dbraw/zinc/13/96/84/263139684.db2.gz RAQRJJBEZWSAMO-SJLPKXTDSA-N 1 1 281.403 3.482 20 30 CGEDMO Cc1ccc(C[N@H+](CCOCCC#N)C(C)C)s1 ZINC000293638183 263145266 /nfs/dbraw/zinc/14/52/66/263145266.db2.gz XIENNBUZWNCSEH-UHFFFAOYSA-N 1 1 266.410 3.197 20 30 CGEDMO COc1cc2c(cc1Cl)C[N@@H+]([C@H](C)CCC#N)CC2 ZINC000298087449 263215056 /nfs/dbraw/zinc/21/50/56/263215056.db2.gz HYYIKLGTXSGDIZ-LLVKDONJSA-N 1 1 278.783 3.399 20 30 CGEDMO COc1cc2c(cc1Cl)C[N@H+]([C@H](C)CCC#N)CC2 ZINC000298087449 263215057 /nfs/dbraw/zinc/21/50/57/263215057.db2.gz HYYIKLGTXSGDIZ-LLVKDONJSA-N 1 1 278.783 3.399 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000298825341 263226580 /nfs/dbraw/zinc/22/65/80/263226580.db2.gz BHUQKHWCDSEGGK-DZGCQCFKSA-N 1 1 260.356 3.382 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)Cc1c(C)n[nH]c1C ZINC000119948246 263279327 /nfs/dbraw/zinc/27/93/27/263279327.db2.gz WVNXLYSIWZXDDX-UHFFFAOYSA-N 1 1 261.394 3.276 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)Cc1c(C)n[nH]c1C ZINC000119948246 263279329 /nfs/dbraw/zinc/27/93/29/263279329.db2.gz WVNXLYSIWZXDDX-UHFFFAOYSA-N 1 1 261.394 3.276 20 30 CGEDMO C=CC[C@@H](C)NC(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000342485884 263441286 /nfs/dbraw/zinc/44/12/86/263441286.db2.gz XFPXCQJOPLKCIR-CABCVRRESA-N 1 1 295.471 3.151 20 30 CGEDMO CCCc1nc(C(=O)NCC[N@H+]2CCCC(C)(C)C2)co1 ZINC000331280890 264171485 /nfs/dbraw/zinc/17/14/85/264171485.db2.gz BYNZNNOWAANFAJ-UHFFFAOYSA-N 1 1 293.411 3.054 20 30 CGEDMO C=CC[N@H+](CCCn1ccnc1)Cc1ccccc1OCC ZINC000161894855 264299064 /nfs/dbraw/zinc/29/90/64/264299064.db2.gz XLDONNQYZDECEQ-UHFFFAOYSA-N 1 1 299.418 3.360 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)Nc1ccc(C)cc1Cl ZINC000076735578 264344196 /nfs/dbraw/zinc/34/41/96/264344196.db2.gz QREZDSRLJXXCEN-UHFFFAOYSA-N 1 1 280.799 3.485 20 30 CGEDMO C=CCOc1cccc(C[N@H+](C)[C@H]2CCSC2)c1 ZINC000130531456 264352126 /nfs/dbraw/zinc/35/21/26/264352126.db2.gz MSLAMXALYQQAML-AWEZNQCLSA-N 1 1 263.406 3.189 20 30 CGEDMO C=CCOc1cccc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000130639980 264359605 /nfs/dbraw/zinc/35/96/05/264359605.db2.gz VUANIFDCXLYDSS-WBVHZDCISA-N 1 1 288.435 3.166 20 30 CGEDMO C=CCOc1cccc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000130639980 264359608 /nfs/dbraw/zinc/35/96/08/264359608.db2.gz VUANIFDCXLYDSS-WBVHZDCISA-N 1 1 288.435 3.166 20 30 CGEDMO CCc1ccc(C[N@@H+](C)CCOCc2ccc(C#N)cc2)o1 ZINC000519561239 270097535 /nfs/dbraw/zinc/09/75/35/270097535.db2.gz DODVAQXSONEBFZ-UHFFFAOYSA-N 1 1 298.386 3.362 20 30 CGEDMO C=CCCC1(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000356542108 266134344 /nfs/dbraw/zinc/13/43/44/266134344.db2.gz NFVGKVOFMZHXNS-IAGOWNOFSA-N 1 1 298.430 3.294 20 30 CGEDMO C=CC[N@@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)C1CC1 ZINC000357524079 266315611 /nfs/dbraw/zinc/31/56/11/266315611.db2.gz AOQPLPONDLKQGJ-GOSISDBHSA-N 1 1 298.430 3.221 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000357785851 266361544 /nfs/dbraw/zinc/36/15/44/266361544.db2.gz DPWRTYKHHMPFOF-OAHLLOKOSA-N 1 1 255.365 3.249 20 30 CGEDMO C=C(CC)C[N@@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000358889889 266504471 /nfs/dbraw/zinc/50/44/71/266504471.db2.gz NVLOCUWKHVNICK-KRWDZBQOSA-N 1 1 259.393 3.226 20 30 CGEDMO C[C@H](CO)[N@@H+](CCCCC(C)(C)C#N)CC1CCC1 ZINC000361502475 266835434 /nfs/dbraw/zinc/83/54/34/266835434.db2.gz XCMNXAQEOVBPOH-CQSZACIVSA-N 1 1 266.429 3.189 20 30 CGEDMO Cc1ccc(C)n1C1CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000362170839 266938564 /nfs/dbraw/zinc/93/85/64/266938564.db2.gz TVJDUXDXAKOVQD-MRXNPFEDSA-N 1 1 284.407 3.185 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000368438247 267172666 /nfs/dbraw/zinc/17/26/66/267172666.db2.gz KCROWEQFGCJHCP-CQSZACIVSA-N 1 1 274.412 3.309 20 30 CGEDMO CC(C)(C#N)CCCC[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000368438247 267172669 /nfs/dbraw/zinc/17/26/69/267172669.db2.gz KCROWEQFGCJHCP-CQSZACIVSA-N 1 1 274.412 3.309 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000368438247 267172674 /nfs/dbraw/zinc/17/26/74/267172674.db2.gz KCROWEQFGCJHCP-CQSZACIVSA-N 1 1 274.412 3.309 20 30 CGEDMO N#CCCCC[N@H+]1CCOC2(C1)CCCCCC2 ZINC000119553646 267345100 /nfs/dbraw/zinc/34/51/00/267345100.db2.gz MAOJYDQXVMPNDF-UHFFFAOYSA-N 1 1 250.386 3.105 20 30 CGEDMO C=CCN1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000120036221 267353901 /nfs/dbraw/zinc/35/39/01/267353901.db2.gz NMSQLPCEBPLPPA-UHFFFAOYSA-N 1 1 298.352 3.399 20 30 CGEDMO C=CC[N@H+]1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000120036221 267353902 /nfs/dbraw/zinc/35/39/02/267353902.db2.gz NMSQLPCEBPLPPA-UHFFFAOYSA-N 1 1 298.352 3.399 20 30 CGEDMO C=CC[N@@H+]1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000120036221 267353906 /nfs/dbraw/zinc/35/39/06/267353906.db2.gz NMSQLPCEBPLPPA-UHFFFAOYSA-N 1 1 298.352 3.399 20 30 CGEDMO CCOc1cc(C[NH2+]CC2(C#N)CCC2)cc(Cl)c1O ZINC000418144480 267364892 /nfs/dbraw/zinc/36/48/92/267364892.db2.gz UETQSACCYOXQSS-UHFFFAOYSA-N 1 1 294.782 3.228 20 30 CGEDMO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000528771713 270172502 /nfs/dbraw/zinc/17/25/02/270172502.db2.gz XXPGIXQSOIWZNE-GFCCVEGCSA-N 1 1 289.329 3.431 20 30 CGEDMO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000528771713 270172503 /nfs/dbraw/zinc/17/25/03/270172503.db2.gz XXPGIXQSOIWZNE-GFCCVEGCSA-N 1 1 289.329 3.431 20 30 CGEDMO N#Cc1ccc(C[NH2+]CC2(C#N)CCC2)c(C(F)(F)F)c1 ZINC000418138997 268232234 /nfs/dbraw/zinc/23/22/34/268232234.db2.gz GZVKONIPKBASHM-UHFFFAOYSA-N 1 1 293.292 3.361 20 30 CGEDMO C[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353411603 274286041 /nfs/dbraw/zinc/28/60/41/274286041.db2.gz KNUULBUKLXSIKZ-RDTXWAMCSA-N 1 1 283.419 3.010 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353411603 274286043 /nfs/dbraw/zinc/28/60/43/274286043.db2.gz KNUULBUKLXSIKZ-RDTXWAMCSA-N 1 1 283.419 3.010 20 30 CGEDMO CCC[NH+](CCC)CCCN[C@H]1CCC[C@@H](C#N)C1 ZINC000192815158 276252853 /nfs/dbraw/zinc/25/28/53/276252853.db2.gz WLKRPLSPCUDJBP-CVEARBPZSA-N 1 1 265.445 3.170 20 30 CGEDMO CCC[C@H]1C[N@@H+]([C@H](C)c2ccc(C#N)cc2)CCO1 ZINC000248127112 276290280 /nfs/dbraw/zinc/29/02/80/276290280.db2.gz VTVABUSQZMTJAR-CJNGLKHVSA-N 1 1 258.365 3.120 20 30 CGEDMO CCC[C@H]1C[N@H+]([C@H](C)c2ccc(C#N)cc2)CCO1 ZINC000248127112 276290282 /nfs/dbraw/zinc/29/02/82/276290282.db2.gz VTVABUSQZMTJAR-CJNGLKHVSA-N 1 1 258.365 3.120 20 30 CGEDMO C[C@@H](C#N)C[N@H+](Cc1cccc2[nH]ccc21)C1CC1 ZINC000354035590 278182399 /nfs/dbraw/zinc/18/23/99/278182399.db2.gz ZMNGEZHLHXVZKO-LBPRGKRZSA-N 1 1 253.349 3.292 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](Cc1cccc2[nH]ccc21)C1CC1 ZINC000354035590 278182401 /nfs/dbraw/zinc/18/24/01/278182401.db2.gz ZMNGEZHLHXVZKO-LBPRGKRZSA-N 1 1 253.349 3.292 20 30 CGEDMO C[C@H](NCC[N@H+]1CCCC1(C)C)c1ccc(C#N)cc1 ZINC000453408985 278258870 /nfs/dbraw/zinc/25/88/70/278258870.db2.gz WGMMLJHXTPMRQM-AWEZNQCLSA-N 1 1 271.408 3.083 20 30 CGEDMO C[C@H]([NH2+]CCN1CCCC1(C)C)c1ccc(C#N)cc1 ZINC000453408985 278258871 /nfs/dbraw/zinc/25/88/71/278258871.db2.gz WGMMLJHXTPMRQM-AWEZNQCLSA-N 1 1 271.408 3.083 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000246672953 278306049 /nfs/dbraw/zinc/30/60/49/278306049.db2.gz MFAGDEVHMFQKFH-XYPHTWIQSA-N 1 1 270.376 3.120 20 30 CGEDMO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)cn1 ZINC000551060399 289097321 /nfs/dbraw/zinc/09/73/21/289097321.db2.gz TXEMQCBNMZWBQI-LBPRGKRZSA-N 1 1 283.297 3.116 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000118396733 290219791 /nfs/dbraw/zinc/21/97/91/290219791.db2.gz JCJWAJJRSAEHNX-PBHICJAKSA-N 1 1 280.375 3.153 20 30 CGEDMO Cn1cccc1[C@@H]1CCCC[N@@H+]1CC1(C#N)CCC1 ZINC000336199541 294385183 /nfs/dbraw/zinc/38/51/83/294385183.db2.gz ILGMVCZNKNNXLA-HNNXBMFYSA-N 1 1 257.381 3.246 20 30 CGEDMO Cn1cccc1[C@@H]1CCCC[N@H+]1CC1(C#N)CCC1 ZINC000336199541 294385188 /nfs/dbraw/zinc/38/51/88/294385188.db2.gz ILGMVCZNKNNXLA-HNNXBMFYSA-N 1 1 257.381 3.246 20 30 CGEDMO CC#CC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339750801 328053634 /nfs/dbraw/zinc/05/36/34/328053634.db2.gz GERJCIMFLWSDKH-UHFFFAOYSA-N 1 1 286.253 3.069 20 30 CGEDMO CC#CC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339750801 328053635 /nfs/dbraw/zinc/05/36/35/328053635.db2.gz GERJCIMFLWSDKH-UHFFFAOYSA-N 1 1 286.253 3.069 20 30 CGEDMO C=CCCCCCNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000563371252 328060096 /nfs/dbraw/zinc/06/00/96/328060096.db2.gz LDDNLCAOGTYLCH-HNNXBMFYSA-N 1 1 293.455 3.049 20 30 CGEDMO CC[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)C[C@@H](C)O1 ZINC000411267266 328081481 /nfs/dbraw/zinc/08/14/81/328081481.db2.gz YYVSHXDOYRTWCF-HUUCEWRRSA-N 1 1 264.413 3.350 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+][C@H]1CCc2c1cccc2Cl ZINC000571231546 328094201 /nfs/dbraw/zinc/09/42/01/328094201.db2.gz PSWKOEJCQXWERU-NHYWBVRUSA-N 1 1 273.767 3.360 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@](C)(C(=O)OC)C1 ZINC000412082728 328102944 /nfs/dbraw/zinc/10/29/44/328102944.db2.gz XTNAZLUNGBSZBY-HIFRSBDPSA-N 1 1 253.386 3.006 20 30 CGEDMO CC[C@H](CSC)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000271556936 328196786 /nfs/dbraw/zinc/19/67/86/328196786.db2.gz MLGDIIQCQQUYFZ-CQSZACIVSA-N 1 1 278.421 3.162 20 30 CGEDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000274951630 328213974 /nfs/dbraw/zinc/21/39/74/328213974.db2.gz HDLNTYWZOWZJFZ-CZUORRHYSA-N 1 1 258.365 3.209 20 30 CGEDMO C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C[C@H](c2ccccc2)O1 ZINC000278552219 328227142 /nfs/dbraw/zinc/22/71/42/328227142.db2.gz HLSNDIPSUPUGEA-MUIFIZLQSA-N 1 1 270.376 3.141 20 30 CGEDMO C[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C#N)C2)C[C@H](c2ccccc2)O1 ZINC000278552219 328227143 /nfs/dbraw/zinc/22/71/43/328227143.db2.gz HLSNDIPSUPUGEA-MUIFIZLQSA-N 1 1 270.376 3.141 20 30 CGEDMO C=CCOCC[N@H+](C)[C@@H]1CCCc2nc(CC)sc21 ZINC000293925924 328278588 /nfs/dbraw/zinc/27/85/88/328278588.db2.gz YHRZVLZQELQNFT-CYBMUJFWSA-N 1 1 280.437 3.217 20 30 CGEDMO CCn1ccnc1[C@@H]1CCCC[N@@H+]1CCC(C)(C)C#N ZINC000293970405 328278656 /nfs/dbraw/zinc/27/86/56/328278656.db2.gz DBDRDPOIOWUYEI-AWEZNQCLSA-N 1 1 274.412 3.370 20 30 CGEDMO CCn1ccnc1[C@@H]1CCCC[N@H+]1CCC(C)(C)C#N ZINC000293970405 328278657 /nfs/dbraw/zinc/27/86/57/328278657.db2.gz DBDRDPOIOWUYEI-AWEZNQCLSA-N 1 1 274.412 3.370 20 30 CGEDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000565042791 322056530 /nfs/dbraw/zinc/05/65/30/322056530.db2.gz AUVQYJGRYKQUNF-CQSZACIVSA-N 1 1 287.363 3.334 20 30 CGEDMO C[C@@H](C[NH+]1CCC(C)CC1)N[C@@H](C)c1cccc(C#N)c1 ZINC000565243685 322069750 /nfs/dbraw/zinc/06/97/50/322069750.db2.gz DUXXPVNMCRGJOQ-HOTGVXAUSA-N 1 1 285.435 3.329 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C#N)cn1)[C@H](C)c1ccccc1 ZINC000566415963 322121326 /nfs/dbraw/zinc/12/13/26/322121326.db2.gz COEZQSOQOIARHN-OAHLLOKOSA-N 1 1 295.386 3.163 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000567986727 322186799 /nfs/dbraw/zinc/18/67/99/322186799.db2.gz BSNFZDUALNJRMP-MOPGFXCFSA-N 1 1 296.414 3.198 20 30 CGEDMO CC(C)Oc1cccc(C[N@H+](C)Cc2ccc(C#N)cn2)c1 ZINC000569822832 322258070 /nfs/dbraw/zinc/25/80/70/322258070.db2.gz VCNBHENOHVNZMP-UHFFFAOYSA-N 1 1 295.386 3.372 20 30 CGEDMO CC(C)Oc1cccc(C[N@@H+](C)Cc2ccc(C#N)cn2)c1 ZINC000569822832 322258072 /nfs/dbraw/zinc/25/80/72/322258072.db2.gz VCNBHENOHVNZMP-UHFFFAOYSA-N 1 1 295.386 3.372 20 30 CGEDMO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@H](C3CCCC3)C2)cc1 ZINC000570074245 322264382 /nfs/dbraw/zinc/26/43/82/322264382.db2.gz GGLDNQGYLMHORT-INIZCTEOSA-N 1 1 297.402 3.009 20 30 CGEDMO C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cc1ccc(C#N)cn1 ZINC000571413723 322298001 /nfs/dbraw/zinc/29/80/01/322298001.db2.gz JJBZEADXBFECSX-MAUKXSAKSA-N 1 1 291.398 3.406 20 30 CGEDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cc1ccc(C#N)cn1 ZINC000571413724 322298134 /nfs/dbraw/zinc/29/81/34/322298134.db2.gz JJBZEADXBFECSX-QAPCUYQASA-N 1 1 291.398 3.406 20 30 CGEDMO Cc1nc(C)c([C@@H](C)[N@@H+](C)CCCSCC#N)s1 ZINC000074990486 327122859 /nfs/dbraw/zinc/12/28/59/327122859.db2.gz CHPJTLLMQPVXTF-LLVKDONJSA-N 1 1 283.466 3.400 20 30 CGEDMO COc1ccc(C[N@@H+](C)CCCSCC#N)cc1C ZINC000074990238 327122702 /nfs/dbraw/zinc/12/27/02/327122702.db2.gz QPXOQCDBFHULGK-UHFFFAOYSA-N 1 1 278.421 3.082 20 30 CGEDMO C=CCOCC[N@@H+]1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000559149009 327143476 /nfs/dbraw/zinc/14/34/76/327143476.db2.gz BMEZVGPRASFHPD-MRXNPFEDSA-N 1 1 259.393 3.295 20 30 CGEDMO CC[C@H]1C[C@H](C)C[N@H+]1CCCC1(C#N)CCOCC1 ZINC000410388765 327190903 /nfs/dbraw/zinc/19/09/03/327190903.db2.gz RXRPSSLVOITYLI-GJZGRUSLSA-N 1 1 264.413 3.207 20 30 CGEDMO CC(C)[C@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000410410303 327192258 /nfs/dbraw/zinc/19/22/58/327192258.db2.gz VFWASFFIYWZMRJ-HNNXBMFYSA-N 1 1 264.413 3.065 20 30 CGEDMO C[N@@H+](CCCC#N)Cc1cccc(Br)c1 ZINC000042350702 327237606 /nfs/dbraw/zinc/23/76/06/327237606.db2.gz BAMWBVLFRVEGGP-UHFFFAOYSA-N 1 1 267.170 3.185 20 30 CGEDMO C=CCCCC[N@@H+]1CCOC[C@H]1CC(=O)c1ccccc1 ZINC000560216718 327290848 /nfs/dbraw/zinc/29/08/48/327290848.db2.gz LSHITTZQDRWOMM-QGZVFWFLSA-N 1 1 287.403 3.317 20 30 CGEDMO C=CCCCC[N@H+]1CCOC[C@H]1CC(=O)c1ccccc1 ZINC000560216718 327290850 /nfs/dbraw/zinc/29/08/50/327290850.db2.gz LSHITTZQDRWOMM-QGZVFWFLSA-N 1 1 287.403 3.317 20 30 CGEDMO CCOc1cc(C[NH2+]CC2(C#N)CC2)cc(Cl)c1OC ZINC000566833427 327474566 /nfs/dbraw/zinc/47/45/66/327474566.db2.gz WJLXLKRDOZZFSK-UHFFFAOYSA-N 1 1 294.782 3.141 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000305100964 329004331 /nfs/dbraw/zinc/00/43/31/329004331.db2.gz XTTABPSQCAULJD-OKZBNKHCSA-N 1 1 284.403 3.085 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000377775878 329029014 /nfs/dbraw/zinc/02/90/14/329029014.db2.gz IDUYWQNMBGFPPY-HUUCEWRRSA-N 1 1 276.424 3.350 20 30 CGEDMO C=C[C@@H](CC(=O)N1CCC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000378276873 329044870 /nfs/dbraw/zinc/04/48/70/329044870.db2.gz XOMNCWMLJHRUQV-FUHWJXTLSA-N 1 1 298.430 3.043 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCOC2(CCCCC2)C1 ZINC000179936858 329213870 /nfs/dbraw/zinc/21/38/70/329213870.db2.gz INPKZSVSGCYGEQ-UHFFFAOYSA-N 1 1 264.413 3.351 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cc(OC)c(OCC)c(OC)c1 ZINC000181044229 329225170 /nfs/dbraw/zinc/22/51/70/329225170.db2.gz TZSMMUZPKXXSHW-UHFFFAOYSA-N 1 1 279.380 3.110 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCSCC#N)[C@H]2CCCC[C@H]12 ZINC000182493011 329242366 /nfs/dbraw/zinc/24/23/66/329242366.db2.gz FBVUZHQNHKKBNC-MCIONIFRSA-N 1 1 252.427 3.144 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1sc(C)nc1C(F)(F)F ZINC000183657669 329251625 /nfs/dbraw/zinc/25/16/25/329251625.db2.gz YTLUYHHRZDHZPS-UHFFFAOYSA-N 1 1 264.316 3.478 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1sc(C)nc1C(F)(F)F ZINC000183657669 329251627 /nfs/dbraw/zinc/25/16/27/329251627.db2.gz YTLUYHHRZDHZPS-UHFFFAOYSA-N 1 1 264.316 3.478 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000184455420 329258193 /nfs/dbraw/zinc/25/81/93/329258193.db2.gz SMGAYGNZJQDRCU-CQSZACIVSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CC[N@H+](CCc1ccncc1)Cc1cccc([N+](=O)[O-])c1 ZINC000063297853 329378408 /nfs/dbraw/zinc/37/84/08/329378408.db2.gz ZAHUUFAOQJOLFZ-UHFFFAOYSA-N 1 1 297.358 3.221 20 30 CGEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCCCO1 ZINC000063297825 329378525 /nfs/dbraw/zinc/37/85/25/329378525.db2.gz NZELZPZJWLODFK-MRXNPFEDSA-N 1 1 290.363 3.152 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@H](O)C1CCCCC1 ZINC000190594669 329398364 /nfs/dbraw/zinc/39/83/64/329398364.db2.gz ZSMJGYLABBYFIO-HNNXBMFYSA-N 1 1 266.429 3.189 20 30 CGEDMO CCOc1c(Cl)cc(C[NH2+]CC2(C#N)CC2)cc1OC ZINC000571739188 329916043 /nfs/dbraw/zinc/91/60/43/329916043.db2.gz YYZSZHMYHFCOTP-UHFFFAOYSA-N 1 1 294.782 3.141 20 30 CGEDMO C=CC[C@@H](C)[C@@H](C)[NH2+]CC(F)(F)c1cccc(OC)n1 ZINC000572019831 329937964 /nfs/dbraw/zinc/93/79/64/329937964.db2.gz UNEHSQWMIHKJLS-VXGBXAGGSA-N 1 1 284.350 3.372 20 30 CGEDMO N#CCCC[C@@H]([NH2+]Cc1ncccn1)c1ccccc1 ZINC000433017850 330123585 /nfs/dbraw/zinc/12/35/85/330123585.db2.gz AYZDHIWVRRPBDS-OAHLLOKOSA-N 1 1 266.348 3.001 20 30 CGEDMO C=CCCC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000080428567 330130846 /nfs/dbraw/zinc/13/08/46/330130846.db2.gz LJICAQGRTOBLDS-CYBMUJFWSA-N 1 1 283.375 3.324 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(CC)cc1 ZINC000532976707 330323705 /nfs/dbraw/zinc/32/37/05/330323705.db2.gz PEJFXTVWVGCFQC-AWEZNQCLSA-N 1 1 274.408 3.474 20 30 CGEDMO C=C(CC)CN1CC[N@@H+](CC(=C)CC)C(C)(C)C1 ZINC000536905314 330363746 /nfs/dbraw/zinc/36/37/46/330363746.db2.gz NDKFEBYWWQPBFG-UHFFFAOYSA-N 1 1 250.430 3.315 20 30 CGEDMO C=C(CC)CN1CC[N@@H+](CC(=C)CC)CC1(C)C ZINC000536905314 330363744 /nfs/dbraw/zinc/36/37/44/330363744.db2.gz NDKFEBYWWQPBFG-UHFFFAOYSA-N 1 1 250.430 3.315 20 30 CGEDMO C#CCOc1ccccc1C[NH2+]Cc1c(CC)noc1CC ZINC000088745850 330378417 /nfs/dbraw/zinc/37/84/17/330378417.db2.gz ZEZBXYCDCWBORH-UHFFFAOYSA-N 1 1 298.386 3.101 20 30 CGEDMO C=CC[N@@H+](C)CC(=O)N[C@H](CC)c1ccc(Cl)cc1 ZINC000121303206 330399397 /nfs/dbraw/zinc/39/93/97/330399397.db2.gz ZGQBYUZCPNXRTL-CQSZACIVSA-N 1 1 280.799 3.025 20 30 CGEDMO C=CC[N@H+](C)CC(=O)N[C@H](CC)c1ccc(Cl)cc1 ZINC000121303206 330399398 /nfs/dbraw/zinc/39/93/98/330399398.db2.gz ZGQBYUZCPNXRTL-CQSZACIVSA-N 1 1 280.799 3.025 20 30 CGEDMO CCO[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC000451524125 331032379 /nfs/dbraw/zinc/03/23/79/331032379.db2.gz DSSDCHYBFXMXBX-RHSMWYFYSA-N 1 1 291.822 3.438 20 30 CGEDMO CCO[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C[C@H]1C ZINC000451524125 331032380 /nfs/dbraw/zinc/03/23/80/331032380.db2.gz DSSDCHYBFXMXBX-RHSMWYFYSA-N 1 1 291.822 3.438 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451702074 331039609 /nfs/dbraw/zinc/03/96/09/331039609.db2.gz RVDPNRQYUKKRDD-PMPSAXMXSA-N 1 1 278.440 3.189 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451704426 331039760 /nfs/dbraw/zinc/03/97/60/331039760.db2.gz XGRGMARVSNSBSO-JJXSEGSLSA-N 1 1 251.414 3.214 20 30 CGEDMO COC[C@@H]1CCCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000452040599 331051657 /nfs/dbraw/zinc/05/16/57/331051657.db2.gz QUBYVLGCOLUQAS-INIZCTEOSA-N 1 1 277.795 3.192 20 30 CGEDMO COC[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000452098809 331054102 /nfs/dbraw/zinc/05/41/02/331054102.db2.gz GADGNCGDQNDQKM-INIZCTEOSA-N 1 1 291.822 3.440 20 30 CGEDMO N#C[C@@H]1CCC[C@@H]([N@H+]2CCC[C@]3(CCSC3)C2)C1 ZINC000453375875 331124693 /nfs/dbraw/zinc/12/46/93/331124693.db2.gz ULTKCRGCCSSRDB-KFWWJZLASA-N 1 1 264.438 3.288 20 30 CGEDMO C=CCC1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCCC1 ZINC000456329405 331190084 /nfs/dbraw/zinc/19/00/84/331190084.db2.gz JYVHYAWIOQSRJB-MQVJKMGUSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCC1(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC000458440740 331251373 /nfs/dbraw/zinc/25/13/73/331251373.db2.gz MYJQVNUKDXFEHB-GJZGRUSLSA-N 1 1 293.455 3.047 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(O)c(OCC)c1 ZINC000459529106 331286029 /nfs/dbraw/zinc/28/60/29/331286029.db2.gz YBRCULQVHCZVCN-AWEZNQCLSA-N 1 1 261.365 3.331 20 30 CGEDMO C=CCNC(=O)C[N@@H+]1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000459755799 331298653 /nfs/dbraw/zinc/29/86/53/331298653.db2.gz SZZBSXCBZGYTKV-GOSISDBHSA-N 1 1 298.430 3.296 20 30 CGEDMO C=CCNC(=O)C[N@H+]1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000459755799 331298654 /nfs/dbraw/zinc/29/86/54/331298654.db2.gz SZZBSXCBZGYTKV-GOSISDBHSA-N 1 1 298.430 3.296 20 30 CGEDMO CC#CCC[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000462310060 331318998 /nfs/dbraw/zinc/31/89/98/331318998.db2.gz FFODIIRWOSQUOU-UHFFFAOYSA-N 1 1 271.282 3.430 20 30 CGEDMO CC#CCC[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000462316505 331319317 /nfs/dbraw/zinc/31/93/17/331319317.db2.gz STVHEJNBTYRYMD-UHFFFAOYSA-N 1 1 251.757 3.064 20 30 CGEDMO CC#CCCN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000462321637 331319562 /nfs/dbraw/zinc/31/95/62/331319562.db2.gz WNMPFVLAJSAACO-UXHICEINSA-N 1 1 296.458 3.386 20 30 CGEDMO CC#CCCN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000462321637 331319563 /nfs/dbraw/zinc/31/95/63/331319563.db2.gz WNMPFVLAJSAACO-UXHICEINSA-N 1 1 296.458 3.386 20 30 CGEDMO CC#CCC[N@H+](CCC)CC(=O)Nc1ccc(Cl)cc1 ZINC000462335838 331319930 /nfs/dbraw/zinc/31/99/30/331319930.db2.gz QHTRHJTYYWLXMH-UHFFFAOYSA-N 1 1 292.810 3.404 20 30 CGEDMO CC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C[C@@H](C)OC ZINC000463426438 331347489 /nfs/dbraw/zinc/34/74/89/331347489.db2.gz ALCRVMQFUKAIBX-CYBMUJFWSA-N 1 1 299.336 3.414 20 30 CGEDMO C=CCC[C@@H](CCC)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000470326024 331478153 /nfs/dbraw/zinc/47/81/53/331478153.db2.gz CLUIDIGMSKJSNH-QWHCGFSZSA-N 1 1 255.402 3.441 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)N(CC)C1CCCCC1 ZINC000489451930 332053596 /nfs/dbraw/zinc/05/35/96/332053596.db2.gz VCIUPRWILVZAKS-HNNXBMFYSA-N 1 1 278.440 3.208 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1F ZINC000489466761 332054286 /nfs/dbraw/zinc/05/42/86/332054286.db2.gz YXLLDURGHOVASJ-CYBMUJFWSA-N 1 1 276.355 3.195 20 30 CGEDMO C=C[C@@H]1CCCCN1CCC[N@H+]1CCCC[C@H]1C=C ZINC000489481968 332055286 /nfs/dbraw/zinc/05/52/86/332055286.db2.gz RIMQELNGOJIVAF-IAGOWNOFSA-N 1 1 262.441 3.458 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)N(C(C)C)C1CCCC1 ZINC000489519693 332057788 /nfs/dbraw/zinc/05/77/88/332057788.db2.gz XIVGTPUNCIHCTN-HNNXBMFYSA-N 1 1 278.440 3.207 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@@H](COC)c1ccc(Cl)cc1 ZINC000490038039 332077765 /nfs/dbraw/zinc/07/77/65/332077765.db2.gz TYPIWHZDKZQIMN-HOTGVXAUSA-N 1 1 297.826 3.286 20 30 CGEDMO CCC[N@@H+](CCCC#N)[C@@H](C)C(=O)Nc1ccccc1C ZINC000490080514 332080702 /nfs/dbraw/zinc/08/07/02/332080702.db2.gz PCEIQDYHZUURJB-HNNXBMFYSA-N 1 1 287.407 3.338 20 30 CGEDMO C#CC[N@@H+](C[C@H]1CCCOC1)[C@@H]1CCc2ccccc21 ZINC000490830424 332118568 /nfs/dbraw/zinc/11/85/68/332118568.db2.gz KJZRTYICBZFPOC-CRAIPNDOSA-N 1 1 269.388 3.036 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000491325246 332189593 /nfs/dbraw/zinc/18/95/93/332189593.db2.gz AVKKHKKPJFOHMF-SECBINFHSA-N 1 1 282.265 3.300 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000491325246 332189594 /nfs/dbraw/zinc/18/95/94/332189594.db2.gz AVKKHKKPJFOHMF-SECBINFHSA-N 1 1 282.265 3.300 20 30 CGEDMO C#CC[NH+]1CCC(c2nc([C@H]3CCC[C@H](C)C3)no2)CC1 ZINC000491451025 332213229 /nfs/dbraw/zinc/21/32/29/332213229.db2.gz DCCFFEWIAQZTEP-ZFWWWQNUSA-N 1 1 287.407 3.176 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)C[C@H]2C[C@H]2c2ccccc2)n1 ZINC000491514612 332226787 /nfs/dbraw/zinc/22/67/87/332226787.db2.gz JKCOGVHPTUIOSL-MJGOQNOKSA-N 1 1 293.414 3.142 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)Cc2ccc(CC)s2)n1 ZINC000491774267 332340211 /nfs/dbraw/zinc/34/02/11/332340211.db2.gz TYKPGUXMRPHFST-UHFFFAOYSA-N 1 1 287.432 3.162 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(CC)s2)n1 ZINC000491774267 332340212 /nfs/dbraw/zinc/34/02/12/332340212.db2.gz TYKPGUXMRPHFST-UHFFFAOYSA-N 1 1 287.432 3.162 20 30 CGEDMO C#C[C@H]([NH2+]Cc1cccn1C)c1ccc(Cl)cc1 ZINC000491786894 332349396 /nfs/dbraw/zinc/34/93/96/332349396.db2.gz URHWJAHGFSJRMJ-HNNXBMFYSA-N 1 1 258.752 3.143 20 30 CGEDMO C=CCNC(=O)C[N@H+](C)[C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000175434770 333024785 /nfs/dbraw/zinc/02/47/85/333024785.db2.gz TWGFTBXOTPJOKL-OLZOCXBDSA-N 1 1 294.826 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000309973338 333051925 /nfs/dbraw/zinc/05/19/25/333051925.db2.gz PDQSNPZFMTVGDU-RTBURBONSA-N 1 1 284.447 3.407 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000309973338 333051926 /nfs/dbraw/zinc/05/19/26/333051926.db2.gz PDQSNPZFMTVGDU-RTBURBONSA-N 1 1 284.447 3.407 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)C[C@@H](O)Cc1ccccc1 ZINC000220336543 333165413 /nfs/dbraw/zinc/16/54/13/333165413.db2.gz BOQRDXPATHDANQ-IBGZPJMESA-N 1 1 281.399 3.278 20 30 CGEDMO C#CC[N@H+](Cc1cc(C#N)n(C)c1)[C@H]1CCc2ccccc21 ZINC000191153172 333216157 /nfs/dbraw/zinc/21/61/57/333216157.db2.gz OBBPFUZGECHMGM-IBGZPJMESA-N 1 1 289.382 3.019 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](CC#Cc2ccccc2)CCS1 ZINC000192049017 333228666 /nfs/dbraw/zinc/22/86/66/333228666.db2.gz GCGJSSCWIVWSMA-INIZCTEOSA-N 1 1 259.418 3.112 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000193328098 333248006 /nfs/dbraw/zinc/24/80/06/333248006.db2.gz XDRDICYLRONESD-MRXNPFEDSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](C(=O)OCC)C1 ZINC000233708580 333354640 /nfs/dbraw/zinc/35/46/40/333354640.db2.gz WRSICJRTQAUTLU-AWEZNQCLSA-N 1 1 253.386 3.008 20 30 CGEDMO C=CC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000174940547 335170005 /nfs/dbraw/zinc/17/00/05/335170005.db2.gz FPQWXBMHHSEXOT-NVXWUHKLSA-N 1 1 286.419 3.122 20 30 CGEDMO N#CCSCCC[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000074981030 334021480 /nfs/dbraw/zinc/02/14/80/334021480.db2.gz UXKLHFGEZOJZPJ-UONOGXRCSA-N 1 1 252.427 3.288 20 30 CGEDMO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CC#Cc1ccccc1Cl ZINC000135091371 334115218 /nfs/dbraw/zinc/11/52/18/334115218.db2.gz HMTBVBWSEUYTMW-DLBZAZTESA-N 1 1 291.822 3.317 20 30 CGEDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1Cl ZINC000135091371 334115220 /nfs/dbraw/zinc/11/52/20/334115220.db2.gz HMTBVBWSEUYTMW-DLBZAZTESA-N 1 1 291.822 3.317 20 30 CGEDMO C=CCOCCC[N@@H+]1CCC[C@H]1Cc1cccc(OC)c1 ZINC000548750809 334169471 /nfs/dbraw/zinc/16/94/71/334169471.db2.gz MASHOUXQJLCUPN-KRWDZBQOSA-N 1 1 289.419 3.295 20 30 CGEDMO C=CCOCC[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000549464318 334194626 /nfs/dbraw/zinc/19/46/26/334194626.db2.gz VMDCPEXHIQFLBH-OAHLLOKOSA-N 1 1 277.433 3.303 20 30 CGEDMO C[N@@H+](CCc1cccc(NC[C@@H](C#N)CCC#N)c1)C1CC1 ZINC000576606753 335225761 /nfs/dbraw/zinc/22/57/61/335225761.db2.gz QCRAALYJJNBTHU-MRXNPFEDSA-N 1 1 296.418 3.179 20 30 CGEDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000576758715 335244468 /nfs/dbraw/zinc/24/44/68/335244468.db2.gz DUPGLAZBFFGRHT-DOMZBBRYSA-N 1 1 287.363 3.477 20 30 CGEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000577496873 335359487 /nfs/dbraw/zinc/35/94/87/335359487.db2.gz QRUVENRXLAIQCM-TXEJJXNPSA-N 1 1 273.336 3.229 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1cscn1 ZINC000578131810 335511586 /nfs/dbraw/zinc/51/15/86/335511586.db2.gz XGAWAJTVNYNEES-LLVKDONJSA-N 1 1 257.362 3.060 20 30 CGEDMO CCCC[C@H](C)[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000380566024 336000312 /nfs/dbraw/zinc/00/03/12/336000312.db2.gz SMRCYBCQQQIHME-ZDUSSCGKSA-N 1 1 273.380 3.007 20 30 CGEDMO C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)c1cccc(C#N)c1 ZINC000581053787 336001260 /nfs/dbraw/zinc/00/12/60/336001260.db2.gz JFTPYVJYZQGXPB-TYNCELHUSA-N 1 1 266.348 3.111 20 30 CGEDMO Cc1ccnc([C@@H]2CC[N@@H+](Cc3ccc(CC#N)cc3)C2)c1 ZINC000581079825 336005828 /nfs/dbraw/zinc/00/58/28/336005828.db2.gz JBWAUTUWQZIEAI-GOSISDBHSA-N 1 1 291.398 3.446 20 30 CGEDMO CC1(C)CCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000581431991 336076438 /nfs/dbraw/zinc/07/64/38/336076438.db2.gz FILAMERFKMZCOR-UHFFFAOYSA-N 1 1 273.336 3.088 20 30 CGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ccc(C#N)nc2)C1 ZINC000359506017 534132936 /nfs/dbraw/zinc/13/29/36/534132936.db2.gz IEPQMEBBDQFUKS-RDTXWAMCSA-N 1 1 292.386 3.201 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000246692167 534722882 /nfs/dbraw/zinc/72/28/82/534722882.db2.gz ZQOQFRGVQUSDPB-OCCSQVGLSA-N 1 1 251.395 3.476 20 30 CGEDMO N#C[C@H]1CC[C@@H]([NH2+]Cc2c(F)cccc2Br)C1 ZINC000335286551 534754347 /nfs/dbraw/zinc/75/43/47/534754347.db2.gz VHMWYEWVXDUNSO-VHSXEESVSA-N 1 1 297.171 3.370 20 30 CGEDMO C[C@H](NCC[C@@H]1CCCC[N@@H+]1C)c1ccc(C#N)cc1 ZINC000052205643 525364093 /nfs/dbraw/zinc/36/40/93/525364093.db2.gz LOZMUVUEGLFARY-YOEHRIQHSA-N 1 1 271.408 3.083 20 30 CGEDMO C[C@H](NCC[C@@H]1CCCC[N@H+]1C)c1ccc(C#N)cc1 ZINC000052205643 525364106 /nfs/dbraw/zinc/36/41/06/525364106.db2.gz LOZMUVUEGLFARY-YOEHRIQHSA-N 1 1 271.408 3.083 20 30 CGEDMO C=C(C)C[NH+]1CCC(NCc2ccc(OCC)cc2)CC1 ZINC000106246110 526604957 /nfs/dbraw/zinc/60/49/57/526604957.db2.gz ZNUNTDCAGWOWSS-UHFFFAOYSA-N 1 1 288.435 3.215 20 30 CGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@]3(CC=CCC3)C2)cc1 ZINC000156398867 526688521 /nfs/dbraw/zinc/68/85/21/526688521.db2.gz NMHRIPBXYLIROD-OALUTQOASA-N 1 1 296.414 3.414 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000354083474 526934074 /nfs/dbraw/zinc/93/40/74/526934074.db2.gz ODDPGDYPPLECOE-WBVHZDCISA-N 1 1 287.403 3.110 20 30 CGEDMO C=CCCC1(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000353344733 527083649 /nfs/dbraw/zinc/08/36/49/527083649.db2.gz MFFDHWCKIRKZFB-UHFFFAOYSA-N 1 1 298.430 3.077 20 30 CGEDMO C=CCCCCC[N@H+](C)CC(=O)N(C(C)C)C(C)C ZINC000351895438 527128036 /nfs/dbraw/zinc/12/80/36/527128036.db2.gz FMJUHTFCYVMFPD-UHFFFAOYSA-N 1 1 268.445 3.310 20 30 CGEDMO C=CC[C@H](CC)NC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000347629530 527152268 /nfs/dbraw/zinc/15/22/68/527152268.db2.gz HBMRCNVYZKBPMF-XHSDSOJGSA-N 1 1 295.471 3.008 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccc(OCC)c(OC)c1 ZINC000353719471 527191663 /nfs/dbraw/zinc/19/16/63/527191663.db2.gz YBBXLNNHUCWODJ-UHFFFAOYSA-N 1 1 263.381 3.492 20 30 CGEDMO C=CCC[C@H](O)C[NH+](Cc1ccco1)Cc1ccco1 ZINC000036103214 527490240 /nfs/dbraw/zinc/49/02/40/527490240.db2.gz WAVLKOIYWARXDU-AWEZNQCLSA-N 1 1 275.348 3.202 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+]([C@H](C)c1ccccc1)C1CC1 ZINC000352823793 527607310 /nfs/dbraw/zinc/60/73/10/527607310.db2.gz LGNQQJSSPNTOIZ-MRXNPFEDSA-N 1 1 298.430 3.413 20 30 CGEDMO CC[N@@H+](CCC(=O)Nc1ccccc1C#N)C1CC(C)(C)C1 ZINC000412041169 528400748 /nfs/dbraw/zinc/40/07/48/528400748.db2.gz SJZOMYFUSACKHH-UHFFFAOYSA-N 1 1 299.418 3.397 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)c(OC)c1)[C@@H](C)C(C)C ZINC000442817334 528770411 /nfs/dbraw/zinc/77/04/11/528770411.db2.gz ZGLRDPMIAQTEEH-ZDUSSCGKSA-N 1 1 260.381 3.433 20 30 CGEDMO CCCC[C@@H](CN)[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000423302543 528822255 /nfs/dbraw/zinc/82/22/55/528822255.db2.gz VRJWPFDCKCLBQW-HOTGVXAUSA-N 1 1 259.397 3.116 20 30 CGEDMO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2nc(C#N)cs2)C1 ZINC000356108347 529221706 /nfs/dbraw/zinc/22/17/06/529221706.db2.gz INYDWMMEITVEPA-NWDGAFQWSA-N 1 1 281.450 3.121 20 30 CGEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2nc(C#N)cs2)C1 ZINC000356108347 529221707 /nfs/dbraw/zinc/22/17/07/529221707.db2.gz INYDWMMEITVEPA-NWDGAFQWSA-N 1 1 281.450 3.121 20 30 CGEDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1Cc1nc(C#N)cs1 ZINC000356107372 529229245 /nfs/dbraw/zinc/22/92/45/529229245.db2.gz CUEPNHRMOKBUCP-AAEUAGOBSA-N 1 1 263.410 3.415 20 30 CGEDMO CC(C)CC[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000486809525 534956203 /nfs/dbraw/zinc/95/62/03/534956203.db2.gz ODQOVCMNFDXGPE-QGZVFWFLSA-N 1 1 299.418 3.397 20 30 CGEDMO CN(C)c1ccc(C=[NH+]Nc2ccccc2)cc1F ZINC000727650346 571759383 /nfs/dbraw/zinc/75/93/83/571759383.db2.gz JFZBKVFTDPKPSV-UHFFFAOYSA-N 1 1 257.312 3.338 20 30 CGEDMO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000593956569 571987098 /nfs/dbraw/zinc/98/70/98/571987098.db2.gz NYKMKCFDIRDYFG-QGZVFWFLSA-N 1 1 293.370 3.299 20 30 CGEDMO COc1ccccc1[C@H]1CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000593956569 571987100 /nfs/dbraw/zinc/98/71/00/571987100.db2.gz NYKMKCFDIRDYFG-QGZVFWFLSA-N 1 1 293.370 3.299 20 30 CGEDMO C=CC[N@@H+](Cc1cc2ccccc2[nH]c1=O)C(C)C ZINC000732197629 572453806 /nfs/dbraw/zinc/45/38/06/572453806.db2.gz JXCVNZPWHHYDJY-UHFFFAOYSA-N 1 1 256.349 3.337 20 30 CGEDMO C[NH+]1CCN(N=C2CCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000741451411 572498307 /nfs/dbraw/zinc/49/83/07/572498307.db2.gz ONXYUUYFHDXCKA-HNNXBMFYSA-N 1 1 291.826 3.211 20 30 CGEDMO COc1ccc(C[NH2+][C@@H](C)c2csc(C)n2)cc1C#N ZINC000742370028 572568636 /nfs/dbraw/zinc/56/86/36/572568636.db2.gz NWUDUPZGMCHUAF-JTQLQIEISA-N 1 1 287.388 3.183 20 30 CGEDMO C=CC[N@H+](CN1C(=O)[C@@H](C)[C@H]1c1ccccc1)C(C)C ZINC000743349972 572649659 /nfs/dbraw/zinc/64/96/59/572649659.db2.gz GYDRXZLCDDNJKD-HOCLYGCPSA-N 1 1 272.392 3.060 20 30 CGEDMO C=CC[N@@H+](CN1C(=O)[C@@H](C)[C@H]1c1ccccc1)C(C)C ZINC000743349972 572649663 /nfs/dbraw/zinc/64/96/63/572649663.db2.gz GYDRXZLCDDNJKD-HOCLYGCPSA-N 1 1 272.392 3.060 20 30 CGEDMO C=CC[N@H+](CC1CCCCC1)Cn1cc[nH]c1=S ZINC000743362688 572653469 /nfs/dbraw/zinc/65/34/69/572653469.db2.gz DCIZWZWQRRGBNT-UHFFFAOYSA-N 1 1 265.426 3.198 20 30 CGEDMO C=CC[N@@H+](CC1CCCCC1)Cn1cc[nH]c1=S ZINC000743362688 572653471 /nfs/dbraw/zinc/65/34/71/572653471.db2.gz DCIZWZWQRRGBNT-UHFFFAOYSA-N 1 1 265.426 3.198 20 30 CGEDMO C[N@H+](Cc1cc(Cl)ccc1OCC#N)CC1CC1 ZINC000735308320 572714143 /nfs/dbraw/zinc/71/41/43/572714143.db2.gz HECSQVNLZZDWSV-UHFFFAOYSA-N 1 1 264.756 3.084 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cc2c(C)nn(C)c2nc1Cl ZINC000736624196 572803354 /nfs/dbraw/zinc/80/33/54/572803354.db2.gz ZSVVMWLQLDCXEI-UHFFFAOYSA-N 1 1 292.814 3.328 20 30 CGEDMO C=CCN(CCc1ccco1)c1cc(CC)[nH+]c(C)n1 ZINC000359698320 572854546 /nfs/dbraw/zinc/85/45/46/572854546.db2.gz XBIQDMXAHWIXET-UHFFFAOYSA-N 1 1 271.364 3.176 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1Cc1ccccc1OC ZINC000746707331 572893216 /nfs/dbraw/zinc/89/32/16/572893216.db2.gz BXRSTDMYRWNIIR-CQSZACIVSA-N 1 1 265.784 3.455 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](C)[C@@H]1CNC(=O)OC(C)(C)C ZINC000747971019 572956683 /nfs/dbraw/zinc/95/66/83/572956683.db2.gz XGIFMVVJOZKJIJ-KBPBESRZSA-N 1 1 282.428 3.188 20 30 CGEDMO C#CC[N@@H+](CN1C(=O)[C@@H]2CCCCC[C@H]21)C1CCCCC1 ZINC000749946485 573066750 /nfs/dbraw/zinc/06/67/50/573066750.db2.gz OWQQRJRBSOIEGJ-IAGOWNOFSA-N 1 1 288.435 3.003 20 30 CGEDMO C#CC[N@H+](CN1C(=O)[C@@H]2CCCCC[C@H]21)C1CCCCC1 ZINC000749946485 573066757 /nfs/dbraw/zinc/06/67/57/573066757.db2.gz OWQQRJRBSOIEGJ-IAGOWNOFSA-N 1 1 288.435 3.003 20 30 CGEDMO CC[N@H+]1CCCC[C@@H]1CNc1nc2ccccc2cc1C#N ZINC000750172241 573097005 /nfs/dbraw/zinc/09/70/05/573097005.db2.gz WOZCDMKKIJPXQD-MRXNPFEDSA-N 1 1 294.402 3.393 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[N@H+](CC=C(C)C)CC1 ZINC000981740791 613240012 /nfs/dbraw/zinc/24/00/12/613240012.db2.gz CVQWPHPRYLTVLC-UHFFFAOYSA-N 1 1 278.440 3.089 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)C1CC(C)C1 ZINC000968809690 613251273 /nfs/dbraw/zinc/25/12/73/613251273.db2.gz QZVRMDXXWNCAHZ-JCYILVPMSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)C[C@H]2C=CCCC2)CC1 ZINC000981430771 613253115 /nfs/dbraw/zinc/25/31/15/613253115.db2.gz HYGNSRWYBGINQA-KRWDZBQOSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccs2)C1 ZINC000964809323 613264548 /nfs/dbraw/zinc/26/45/48/613264548.db2.gz WDBNEUSBRPKSQR-ZIAGYGMSSA-N 1 1 292.448 3.155 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2)C[C@@H]1C ZINC000947005473 613267228 /nfs/dbraw/zinc/26/72/28/613267228.db2.gz PTKIQARSMQDTOL-DOTOQJQBSA-N 1 1 286.419 3.236 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2CC(C)(C)C2)[C@H](C)C1 ZINC000942019445 613270666 /nfs/dbraw/zinc/27/06/66/613270666.db2.gz CTOAJEZFDWJWGH-ZBFHGGJFSA-N 1 1 292.467 3.215 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C(C)C)C[C@@H]1C ZINC000947369464 613270911 /nfs/dbraw/zinc/27/09/11/613270911.db2.gz MNJDQFAUJFJCBN-HOTGVXAUSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)C2CCCCC2)C(C)(C)C1 ZINC000972762560 613273419 /nfs/dbraw/zinc/27/34/19/613273419.db2.gz FQANRQQKNWAKQD-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@@H](C)C2CCC2)C(C)(C)C1 ZINC000974719157 613277472 /nfs/dbraw/zinc/27/74/72/613277472.db2.gz KKPZNXHDDIHRLS-HOCLYGCPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)CC)CC[C@@H]2C1 ZINC000946490120 613278300 /nfs/dbraw/zinc/27/83/00/613278300.db2.gz MDFNXZBOFUJSPL-YESZJQIVSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC=CCCC2)C1 ZINC000971778273 613284423 /nfs/dbraw/zinc/28/44/23/613284423.db2.gz MJJQAQJDZLNNGY-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2ccc(C)c(C)c2)C1 ZINC000980309107 613291355 /nfs/dbraw/zinc/29/13/55/613291355.db2.gz ZIKMJFFREJOBIH-KRWDZBQOSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(C)C[N@H+]1CCCC2(CN(C(=O)C3CCCCC3)C2)C1 ZINC000981591485 613305194 /nfs/dbraw/zinc/30/51/94/613305194.db2.gz GWUZYSFAPQJUAH-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@@H](C)C(C)(C)C)C2)C1 ZINC000981847208 613305454 /nfs/dbraw/zinc/30/54/54/613305454.db2.gz UVIDHDMLWSBOCO-OAHLLOKOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(C)(C)F)C1 ZINC000963239658 613315551 /nfs/dbraw/zinc/31/55/51/613315551.db2.gz YUPHFRBBGMTTNS-GJZGRUSLSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC000967491867 613324617 /nfs/dbraw/zinc/32/46/17/613324617.db2.gz AVYFKZQPJOMTQP-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)CC2CC(C)(C)C2)[C@@H](C)C1 ZINC000942577452 613327141 /nfs/dbraw/zinc/32/71/41/613327141.db2.gz KRXZRTJMOKAHGS-GOEBONIOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(F)=C2CCCC2)C[C@H]1C ZINC000947196413 613334395 /nfs/dbraw/zinc/33/43/95/613334395.db2.gz UFXYHNSFPNKAHT-HIFRSBDPSA-N 1 1 294.414 3.329 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)CC2CCCCC2)[C@@H](C)C1 ZINC000941770749 613334955 /nfs/dbraw/zinc/33/49/55/613334955.db2.gz AYJZIMSHNODAME-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc(C)cc2)[C@@H](C)C1 ZINC000944264182 613335995 /nfs/dbraw/zinc/33/59/95/613335995.db2.gz NCPBTDMOAJXYEY-RDJZCZTQSA-N 1 1 286.419 3.011 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(F)s2)C[C@@H]1C ZINC000948082360 613336265 /nfs/dbraw/zinc/33/62/65/613336265.db2.gz BPQAEUPDZUWOQK-RYUDHWBXSA-N 1 1 296.411 3.046 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccsc2C)C[C@@H]1C ZINC000947280849 613336505 /nfs/dbraw/zinc/33/65/05/613336505.db2.gz HYBNCTPQYAYFGJ-JSGCOSHPSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C2C(C)(C)C2(C)C)C(C)(C)C1 ZINC000972998921 613337487 /nfs/dbraw/zinc/33/74/87/613337487.db2.gz PWTXZJOQBWSBKU-CYBMUJFWSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](N(C)C(=O)C2CCCC2)CC1 ZINC000948145876 613374314 /nfs/dbraw/zinc/37/43/14/613374314.db2.gz MQEVDNDHHFAEHF-HNNXBMFYSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2ccccc2)C[C@H]1C ZINC000947005558 613379044 /nfs/dbraw/zinc/37/90/44/613379044.db2.gz QNZOCKKPZFEWKO-HIFRSBDPSA-N 1 1 292.810 3.022 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2)C[C@H]1C ZINC000947005558 613379045 /nfs/dbraw/zinc/37/90/45/613379045.db2.gz QNZOCKKPZFEWKO-HIFRSBDPSA-N 1 1 292.810 3.022 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC[NH+](CC2=CCCCC2)CC1 ZINC000950038845 613473572 /nfs/dbraw/zinc/47/35/72/613473572.db2.gz GUFDJQLZSBOKSC-SFHVURJKSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)c2ccccc2Cl)C1 ZINC000957307579 613480397 /nfs/dbraw/zinc/48/03/97/613480397.db2.gz DGAJVHZRSLCAIT-UHFFFAOYSA-N 1 1 292.810 3.062 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC23CCC3)CC1 ZINC000948820617 613499879 /nfs/dbraw/zinc/49/98/79/613499879.db2.gz NMYFOWHADAFEFV-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)c2coc(C)c2)CC1 ZINC000948331147 613500101 /nfs/dbraw/zinc/50/01/01/613500101.db2.gz YYCYILVKMQXDFN-MRXNPFEDSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)C[C@@H]2C=CCC2)CC1 ZINC000948173296 613500996 /nfs/dbraw/zinc/50/09/96/613500996.db2.gz JIYBHTZDQPQPQP-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC2(C1)CCC[N@H+](CCCC)C2 ZINC000981988247 613501176 /nfs/dbraw/zinc/50/11/76/613501176.db2.gz YYPPDOASHVBTDT-QGZVFWFLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C23CCC(CC2)C3)C[C@@H]1C ZINC000947449981 613519486 /nfs/dbraw/zinc/51/94/86/613519486.db2.gz MDIWBMKJCALJER-UERKLNTKSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)C=C2CCCCC2)[C@@H](C)C1 ZINC000941873927 613519794 /nfs/dbraw/zinc/51/97/94/613519794.db2.gz JPYMCIZMJUDEEL-DOTOQJQBSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)C=C2CCCCC2)[C@H](C)C1 ZINC000941873928 613520193 /nfs/dbraw/zinc/52/01/93/613520193.db2.gz JPYMCIZMJUDEEL-NVXWUHKLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)c(C)o2)C[C@H]1C ZINC000947199363 613523079 /nfs/dbraw/zinc/52/30/79/613523079.db2.gz BIYTWAOYLFDKGN-UKRRQHHQSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)CC2CCCCC2)C1 ZINC000964770127 613530972 /nfs/dbraw/zinc/53/09/72/613530972.db2.gz IBDXRTJHJNDMQU-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C23CCC(CC2)C3)C[C@H]1C ZINC000947449979 613534120 /nfs/dbraw/zinc/53/41/20/613534120.db2.gz MDIWBMKJCALJER-CTMQZQKCSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2c(C)coc2C)C[C@@H]1C ZINC000947271465 613536853 /nfs/dbraw/zinc/53/68/53/613536853.db2.gz IZDLNGWOWHYQEX-ZFWWWQNUSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccoc2CC)C[C@@H]1C ZINC000947264889 613540060 /nfs/dbraw/zinc/54/00/60/613540060.db2.gz ABWUSSMAGZBKTM-KBPBESRZSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)c2cscc2C)[C@H](C)C1 ZINC000941905025 613541760 /nfs/dbraw/zinc/54/17/60/613541760.db2.gz VYWMBLGMEHKPFR-DOMZBBRYSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2cccc(C)c2)C(C)(C)C1 ZINC000972765801 613545505 /nfs/dbraw/zinc/54/55/05/613545505.db2.gz PWICXCHQUKLKHK-MRXNPFEDSA-N 1 1 286.419 3.011 20 30 CGEDMO C=CCC[N@H+]1C[C@H](NC(=O)C2(C)CCCCC2)C(C)(C)C1 ZINC000975002561 613553517 /nfs/dbraw/zinc/55/35/17/613553517.db2.gz DDBJRVIWLFLIHF-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)C(C)(C)C1 ZINC000975024924 613554721 /nfs/dbraw/zinc/55/47/21/613554721.db2.gz HPPKXFLYQBAWFF-CABCVRRESA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(C)C)cc1 ZINC000962374930 613566248 /nfs/dbraw/zinc/56/62/48/613566248.db2.gz WJUOXFPFOAYHLO-PIIMJCKOSA-N 1 1 298.430 3.046 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@]2(C)CCC(C)=C(C)C2)C1 ZINC000980514012 613618162 /nfs/dbraw/zinc/61/81/62/613618162.db2.gz CDWRTTLAFPPJAC-SJLPKXTDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccoc1CC ZINC000968837378 613684575 /nfs/dbraw/zinc/68/45/75/613684575.db2.gz NADGXZRCDLOPFU-CQSZACIVSA-N 1 1 290.407 3.002 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccc(Cl)o1 ZINC000968755926 613687189 /nfs/dbraw/zinc/68/71/89/613687189.db2.gz HEUXFHIKJNDIEP-LBPRGKRZSA-N 1 1 296.798 3.093 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCC2CC2)C1 ZINC000963279502 613703721 /nfs/dbraw/zinc/70/37/21/613703721.db2.gz RUKNCXMUELCNQQ-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2(C)CCC2)C1 ZINC000963339851 613706567 /nfs/dbraw/zinc/70/65/67/613706567.db2.gz MEYUNQYKHCSYLY-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2coc3ccccc23)C1 ZINC000968702442 613731419 /nfs/dbraw/zinc/73/14/19/613731419.db2.gz MKHIKHXZDXNPSR-CJNGLKHVSA-N 1 1 298.386 3.059 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)CC2=CCCCC2)C[C@@H]1C ZINC000947144736 613741673 /nfs/dbraw/zinc/74/16/73/613741673.db2.gz UTXQTUCKLBEPDO-GOEBONIOSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)CC2CCCCC2)C[C@@H]1C ZINC000947027806 613742907 /nfs/dbraw/zinc/74/29/07/613742907.db2.gz VAYRZQQKHNZCBN-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[C@@H]1CCN1C(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000890549024 617633564 /nfs/dbraw/zinc/63/35/64/617633564.db2.gz FNDBZSWVAOMIGG-CABCVRRESA-N 1 1 292.810 3.120 20 30 CGEDMO C=C(C)c1cccc(NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)c1 ZINC000890889594 617891608 /nfs/dbraw/zinc/89/16/08/617891608.db2.gz YYIUXVADSOVJMO-ZIAGYGMSSA-N 1 1 267.332 3.185 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccccc2)C1 ZINC001021505103 618015538 /nfs/dbraw/zinc/01/55/38/618015538.db2.gz ILBZTFJPKINNJH-ROUUACIJSA-N 1 1 298.430 3.189 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC2CCC2)C1 ZINC001021556040 618040647 /nfs/dbraw/zinc/04/06/47/618040647.db2.gz QFTQFJVSCUSXGY-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C#CCC1([NH2+][C@@H](C)c2nc(-c3ccccc3)no2)CCC1 ZINC000933301963 618197320 /nfs/dbraw/zinc/19/73/20/618197320.db2.gz COUIIXMKVXGXDT-ZDUSSCGKSA-N 1 1 281.359 3.333 20 30 CGEDMO Cc1ccc(N(CCC#N)C(=O)[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000900417020 620786261 /nfs/dbraw/zinc/78/62/61/620786261.db2.gz DGMRZRLEXGKRDE-MRXNPFEDSA-N 1 1 299.418 3.115 20 30 CGEDMO Cc1ccc(N(CCC#N)C(=O)[C@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000900417020 620786262 /nfs/dbraw/zinc/78/62/62/620786262.db2.gz DGMRZRLEXGKRDE-MRXNPFEDSA-N 1 1 299.418 3.115 20 30 CGEDMO C=C(C)C[N@@H+](CC)C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000891455875 618226869 /nfs/dbraw/zinc/22/68/69/618226869.db2.gz ALUVCUGKNOEPAK-OKILXGFUSA-N 1 1 282.428 3.188 20 30 CGEDMO O=C1C=COC2(CC[NH+](Cc3sccc3Cl)CC2)C1 ZINC000933647387 618279120 /nfs/dbraw/zinc/27/91/20/618279120.db2.gz ZRYCBZKHCVLTOJ-UHFFFAOYSA-N 1 1 297.807 3.239 20 30 CGEDMO CCOc1cccc(C=Nc2ccc3c(c2)C[N@@H+](C)C3)c1O ZINC000255428158 618466960 /nfs/dbraw/zinc/46/69/60/618466960.db2.gz KXKCBUGKJSQNFE-UHFFFAOYSA-N 1 1 296.370 3.487 20 30 CGEDMO CCOc1cccc(C=Nc2ccc3c(c2)C[N@H+](C)C3)c1O ZINC000255428158 618466981 /nfs/dbraw/zinc/46/69/81/618466981.db2.gz KXKCBUGKJSQNFE-UHFFFAOYSA-N 1 1 296.370 3.487 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@@H](c3ccco3)C2)cs1 ZINC000892019443 618490511 /nfs/dbraw/zinc/49/05/11/618490511.db2.gz SZVODQWDLUQLDW-GFCCVEGCSA-N 1 1 258.346 3.202 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1noc2c1CC(C)(C)CC2 ZINC000934460311 618624052 /nfs/dbraw/zinc/62/40/52/618624052.db2.gz HJWHISZGCZIWAF-LBPRGKRZSA-N 1 1 260.381 3.340 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1noc2c1CC(C)(C)CC2 ZINC000934460311 618624059 /nfs/dbraw/zinc/62/40/59/618624059.db2.gz HJWHISZGCZIWAF-LBPRGKRZSA-N 1 1 260.381 3.340 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1[C@@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000934464550 618625520 /nfs/dbraw/zinc/62/55/20/618625520.db2.gz JIOXPCDAMMGPOH-KGLIPLIRSA-N 1 1 291.395 3.131 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000934464550 618625523 /nfs/dbraw/zinc/62/55/23/618625523.db2.gz JIOXPCDAMMGPOH-KGLIPLIRSA-N 1 1 291.395 3.131 20 30 CGEDMO C#C[C@@H]1CCCC[N@H+]1Cc1ccc(C(F)(F)F)cn1 ZINC000934516399 618637760 /nfs/dbraw/zinc/63/77/60/618637760.db2.gz HCBYEQZNNUVIQT-CYBMUJFWSA-N 1 1 268.282 3.088 20 30 CGEDMO C#C[C@@H]1CCCC[N@@H+]1Cc1ccc(C(F)(F)F)cn1 ZINC000934516399 618637765 /nfs/dbraw/zinc/63/77/65/618637765.db2.gz HCBYEQZNNUVIQT-CYBMUJFWSA-N 1 1 268.282 3.088 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)c1 ZINC000934880597 618708627 /nfs/dbraw/zinc/70/86/27/618708627.db2.gz PFEULQWMCPNVDR-KGLIPLIRSA-N 1 1 287.407 3.276 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)CC2=CCCCC2)C1 ZINC001006930898 618871904 /nfs/dbraw/zinc/87/19/04/618871904.db2.gz DXKGZMWKWPSVOQ-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO Cc1cc(F)c(C#N)c(N2CCC3(CCC[N@@H+]3C)CC2)c1 ZINC000893092795 618994301 /nfs/dbraw/zinc/99/43/01/618994301.db2.gz RNMWYCXJQWWUQE-UHFFFAOYSA-N 1 1 287.382 3.070 20 30 CGEDMO C=C(C)C[N@H+](CCOC1CC1)Cc1cnn(C(C)C)c1 ZINC000930459562 618995506 /nfs/dbraw/zinc/99/55/06/618995506.db2.gz HJTVIFLMWGQQFN-UHFFFAOYSA-N 1 1 277.412 3.021 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(OC)c2ccccc12 ZINC000775184004 619006384 /nfs/dbraw/zinc/00/63/84/619006384.db2.gz ROFZHYYBJQEONK-ZDUSSCGKSA-N 1 1 253.345 3.302 20 30 CGEDMO CC1(C)C[N@@H+](CC2CCC(C#N)CC2)[C@@H]1[C@@H]1CCCO1 ZINC000930506940 619008054 /nfs/dbraw/zinc/00/80/54/619008054.db2.gz AAUBXAYKOFSMNK-SSHXOBKSSA-N 1 1 276.424 3.206 20 30 CGEDMO C=CC[N@@H+](C[C@@H]1CCC[C@H](C(F)(F)F)O1)[C@@H](C)COC ZINC000930932428 619094039 /nfs/dbraw/zinc/09/40/39/619094039.db2.gz KSGVHCJNXJUFSS-RWMBFGLXSA-N 1 1 295.345 3.009 20 30 CGEDMO CC1(C)C[C@@H]([NH3+])C[C@@H](NC2(c3cccc(C#N)c3)CC2)C1 ZINC000925632402 619098071 /nfs/dbraw/zinc/09/80/71/619098071.db2.gz BOGKTPSUGVWONJ-JKSUJKDBSA-N 1 1 283.419 3.043 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](NC(=O)CC2CCCCCC2)C1 ZINC001008680640 619155978 /nfs/dbraw/zinc/15/59/78/619155978.db2.gz HXFAEBFNLBEQGP-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO CC(C)(O)[C@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000931612677 619215272 /nfs/dbraw/zinc/21/52/72/619215272.db2.gz PKWKKFZQFSMSPM-HNNXBMFYSA-N 1 1 278.440 3.333 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)o2)C1 ZINC000931713689 619242140 /nfs/dbraw/zinc/24/21/40/619242140.db2.gz ACFXUMCJAUEJCX-CQSZACIVSA-N 1 1 266.344 3.187 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)s1 ZINC000931923528 619281053 /nfs/dbraw/zinc/28/10/53/619281053.db2.gz UAEDTDFUVAPSEC-PBHICJAKSA-N 1 1 280.396 3.393 20 30 CGEDMO C=C1CCC(C[NH2+][C@H](Cc2ccccc2)[C@H](C)N)CC1 ZINC000925836344 619287510 /nfs/dbraw/zinc/28/75/10/619287510.db2.gz ZRYLRONJPBWWCK-MAUKXSAKSA-N 1 1 272.436 3.281 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@H](OCC3CC3)C2)cs1 ZINC000893699601 619287821 /nfs/dbraw/zinc/28/78/21/619287821.db2.gz AVVKEKVQYSMTLQ-AWEZNQCLSA-N 1 1 276.405 3.011 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@H](OCC3CC3)C2)cs1 ZINC000893699601 619287823 /nfs/dbraw/zinc/28/78/23/619287823.db2.gz AVVKEKVQYSMTLQ-AWEZNQCLSA-N 1 1 276.405 3.011 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@@H](c2ccn(C)n2)C1 ZINC000932130813 619303115 /nfs/dbraw/zinc/30/31/15/619303115.db2.gz UIJZGXKBHCQJBL-MRXNPFEDSA-N 1 1 273.424 3.183 20 30 CGEDMO CC(C)C[N@H+](CCC#N)Cc1cccc2c1NCCC2 ZINC000893879349 619326277 /nfs/dbraw/zinc/32/62/77/619326277.db2.gz AONDMMIQXRSGNK-UHFFFAOYSA-N 1 1 271.408 3.416 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)Cc1cccc2c1NCCC2 ZINC000893879349 619326280 /nfs/dbraw/zinc/32/62/80/619326280.db2.gz AONDMMIQXRSGNK-UHFFFAOYSA-N 1 1 271.408 3.416 20 30 CGEDMO C=CC[N@@H+](Cc1[nH]nc(C)c1C)Cc1ccccc1 ZINC000893953051 619340097 /nfs/dbraw/zinc/34/00/97/619340097.db2.gz QHDFZRRSWDJVTJ-UHFFFAOYSA-N 1 1 255.365 3.215 20 30 CGEDMO C=CC[N@H+](Cc1[nH]nc(C)c1C)Cc1ccccc1 ZINC000893953051 619340099 /nfs/dbraw/zinc/34/00/99/619340099.db2.gz QHDFZRRSWDJVTJ-UHFFFAOYSA-N 1 1 255.365 3.215 20 30 CGEDMO C[C@H]1CCC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000034673945 619373053 /nfs/dbraw/zinc/37/30/53/619373053.db2.gz DKPZVUAFSFRTQZ-AWEZNQCLSA-N 1 1 258.365 3.059 20 30 CGEDMO CC[N@H+](Cc1ccccc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000034674408 619375995 /nfs/dbraw/zinc/37/59/95/619375995.db2.gz APGMMCPWIMEKNU-GOSISDBHSA-N 1 1 280.371 3.114 20 30 CGEDMO C=CC[N@@H+](C)[C@H](C)C(=O)Nc1c(C)cccc1Cl ZINC000878460608 619425476 /nfs/dbraw/zinc/42/54/76/619425476.db2.gz BAKOYVQIOUFGOA-LLVKDONJSA-N 1 1 266.772 3.093 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)C(=O)Nc1c(C)cccc1Cl ZINC000878460608 619425478 /nfs/dbraw/zinc/42/54/78/619425478.db2.gz BAKOYVQIOUFGOA-LLVKDONJSA-N 1 1 266.772 3.093 20 30 CGEDMO C#CC[N@@H+](CC1=Cc2ccccc2OC1)C1CCCC1 ZINC000093819778 619547605 /nfs/dbraw/zinc/54/76/05/619547605.db2.gz WWXRBTCVAVHPMO-UHFFFAOYSA-N 1 1 267.372 3.340 20 30 CGEDMO N#Cc1cc(C[N@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)cs1 ZINC000894736063 619616875 /nfs/dbraw/zinc/61/68/75/619616875.db2.gz NRJXOCQVSXOKFS-GJZGRUSLSA-N 1 1 258.390 3.240 20 30 CGEDMO COc1cc(C)cc(C[NH2+]CC2(C#N)CCCC2)c1OC ZINC000895134049 619746913 /nfs/dbraw/zinc/74/69/13/619746913.db2.gz ULIJMKRZJDTBGK-UHFFFAOYSA-N 1 1 288.391 3.186 20 30 CGEDMO C[C@H](C[NH+](C)C)[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000895378533 619816462 /nfs/dbraw/zinc/81/64/62/619816462.db2.gz QVGAGRMWOCXXES-QAPCUYQASA-N 1 1 285.435 3.110 20 30 CGEDMO C[C@H](C[NH+](C)C)[C@@H]1CCCCN1Cc1ccc(C#N)cc1 ZINC000895378533 619816467 /nfs/dbraw/zinc/81/64/67/619816467.db2.gz QVGAGRMWOCXXES-QAPCUYQASA-N 1 1 285.435 3.110 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000895389728 619819661 /nfs/dbraw/zinc/81/96/61/619819661.db2.gz PLEQOGUDOZYZIA-ZDUSSCGKSA-N 1 1 261.365 3.107 20 30 CGEDMO N#CC1(c2ccc(C[N@@H+]3CCC[C@@H](CF)C3)cc2)CC1 ZINC000895543462 619846226 /nfs/dbraw/zinc/84/62/26/619846226.db2.gz BRUJBSAAKLDXCP-HNNXBMFYSA-N 1 1 272.367 3.423 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2c(Cl)n[nH]c2C2CC2)C1 ZINC000895557844 619849637 /nfs/dbraw/zinc/84/96/37/619849637.db2.gz HYOSRSRDWBACIX-SNVBAGLBSA-N 1 1 265.788 3.339 20 30 CGEDMO C=CCCCN(CC)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000895618982 619859625 /nfs/dbraw/zinc/85/96/25/619859625.db2.gz PHLWIGIVBSFTJA-HZPDHXFCSA-N 1 1 293.455 3.001 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCc2cc(F)c(F)cc2C1 ZINC000895655356 619864419 /nfs/dbraw/zinc/86/44/19/619864419.db2.gz HQPKICIJQOZMPD-LLVKDONJSA-N 1 1 264.319 3.263 20 30 CGEDMO N#CC1(C[NH2+][C@@H]2CSCCc3ccccc32)CCC1 ZINC000841895687 619938696 /nfs/dbraw/zinc/93/86/96/619938696.db2.gz AYYFXLIDSFLAJK-OAHLLOKOSA-N 1 1 272.417 3.300 20 30 CGEDMO COc1ccc(C[C@H](C)C[N@H+]2CCC[C@H](C#N)C2)cc1F ZINC000896506629 620018911 /nfs/dbraw/zinc/01/89/11/620018911.db2.gz VCRDSVKKXWRXLP-DZGCQCFKSA-N 1 1 290.382 3.248 20 30 CGEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000985269714 620150367 /nfs/dbraw/zinc/15/03/67/620150367.db2.gz FTOYXJRGJXZWFF-UHFFFAOYSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000897240828 620168978 /nfs/dbraw/zinc/16/89/78/620168978.db2.gz RLFPVKAJUIZAJV-QZTJIDSGSA-N 1 1 298.430 3.294 20 30 CGEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@@H](C)C2CCC2)CC1 ZINC000985499187 620201265 /nfs/dbraw/zinc/20/12/65/620201265.db2.gz JPSMKWUMKHBJOR-ZDUSSCGKSA-N 1 1 298.858 3.098 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)c2cc3ccccc3o2)CC1 ZINC000985777867 620238316 /nfs/dbraw/zinc/23/83/16/620238316.db2.gz BNHIYONVHUBUGV-UHFFFAOYSA-N 1 1 298.386 3.155 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000227636416 620288813 /nfs/dbraw/zinc/28/88/13/620288813.db2.gz HMESILCRPFXOMN-UHFFFAOYSA-N 1 1 265.662 3.427 20 30 CGEDMO COC1CCC(C[N@@H+](C)Cc2cc(C#N)cs2)CC1 ZINC000897624558 620411923 /nfs/dbraw/zinc/41/19/23/620411923.db2.gz OTBRBEVJRMQFGQ-UHFFFAOYSA-N 1 1 278.421 3.257 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000929159692 620516464 /nfs/dbraw/zinc/51/64/64/620516464.db2.gz OHOOWPHXCGIADY-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1cncc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000929159692 620516466 /nfs/dbraw/zinc/51/64/66/620516466.db2.gz OHOOWPHXCGIADY-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)[C@@H]2CCCC(C)(C)C2)CC1 ZINC000989758649 620523422 /nfs/dbraw/zinc/52/34/22/620523422.db2.gz QYWUIFHILCXQHN-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000787310675 620527162 /nfs/dbraw/zinc/52/71/62/620527162.db2.gz QPLLQUPBZOQYJB-CQSZACIVSA-N 1 1 262.372 3.432 20 30 CGEDMO C[C@]12CSC[C@H]1C[N@@H+](Cc1ccc(C3(C#N)CC3)cc1)C2 ZINC000898420568 620585442 /nfs/dbraw/zinc/58/54/42/620585442.db2.gz XABOSDNAGODUHC-SJORKVTESA-N 1 1 298.455 3.427 20 30 CGEDMO C[C@@H](Cc1[nH]cc[nH+]1)OCCCCC1(C#N)CCC1 ZINC000901525570 620914103 /nfs/dbraw/zinc/91/41/03/620914103.db2.gz CAQAAGVDHKXPMJ-ZDUSSCGKSA-N 1 1 261.369 3.221 20 30 CGEDMO C[C@@H]([NH2+][C@H]1CCCc2occc21)c1cc(C#N)ccn1 ZINC000902741568 621422408 /nfs/dbraw/zinc/42/24/08/621422408.db2.gz DMYYBPPVHKTXDL-RISCZKNCSA-N 1 1 267.332 3.274 20 30 CGEDMO CCc1nc2c(s1)[C@H]([NH2+]CC1(C#N)CCC1)CCC2 ZINC000903032375 621534866 /nfs/dbraw/zinc/53/48/66/621534866.db2.gz RNANQIXMCYEMTA-LLVKDONJSA-N 1 1 275.421 3.366 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CCC1)c1cncc(Br)c1 ZINC000903035014 621536838 /nfs/dbraw/zinc/53/68/38/621536838.db2.gz HKMGBWBFULFDHV-SNVBAGLBSA-N 1 1 294.196 3.189 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCCC[C@H]1c1ccccc1 ZINC000801941785 621550933 /nfs/dbraw/zinc/55/09/33/621550933.db2.gz WVZXTPCXWPCFKT-HOCLYGCPSA-N 1 1 258.365 3.142 20 30 CGEDMO C[N@H+]1CC[C@H](Nc2ccc(CCC#N)cc2)[C@@H]2CCC[C@@H]21 ZINC000903294957 621663665 /nfs/dbraw/zinc/66/36/65/621663665.db2.gz ZZHAZYIPJASPKV-BZSNNMDCSA-N 1 1 283.419 3.427 20 30 CGEDMO C[C@H]([NH2+][C@@H](c1ccccn1)C1CC1)c1cccc(C#N)c1O ZINC000903335199 621691412 /nfs/dbraw/zinc/69/14/12/621691412.db2.gz MDKHIAXXSNHDEV-YVEFUNNKSA-N 1 1 293.370 3.461 20 30 CGEDMO C[C@@H]1CC[C@@H](CN)[N@@H+](CCCCC2(C#N)CCC2)[C@H]1C ZINC000903782482 621806880 /nfs/dbraw/zinc/80/68/80/621806880.db2.gz NHTXIGWYXFDMTC-PMPSAXMXSA-N 1 1 277.456 3.298 20 30 CGEDMO C[C@@H]1CC[C@@H](C[NH3+])N(CCCCC2(C#N)CCC2)[C@H]1C ZINC000903782482 621806883 /nfs/dbraw/zinc/80/68/83/621806883.db2.gz NHTXIGWYXFDMTC-PMPSAXMXSA-N 1 1 277.456 3.298 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(Cc2c(F)cccc2F)no1 ZINC000904536898 621931973 /nfs/dbraw/zinc/93/19/73/621931973.db2.gz GFNANVCXLPRKHJ-CYBMUJFWSA-N 1 1 293.317 3.295 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc([C@H]2CCOc3ccccc32)no1 ZINC000904601478 621942849 /nfs/dbraw/zinc/94/28/49/621942849.db2.gz DRWVORNBIOURKM-KBPBESRZSA-N 1 1 299.374 3.340 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(-c2coc(CCC)n2)no1 ZINC000904721463 621956579 /nfs/dbraw/zinc/95/65/79/621956579.db2.gz LHOXUBGXTVPZKT-JTQLQIEISA-N 1 1 276.340 3.033 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000905723888 622100225 /nfs/dbraw/zinc/10/02/25/622100225.db2.gz VQHSHAOFOUNMAA-ZDUSSCGKSA-N 1 1 270.376 3.007 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000905723888 622100228 /nfs/dbraw/zinc/10/02/28/622100228.db2.gz VQHSHAOFOUNMAA-ZDUSSCGKSA-N 1 1 270.376 3.007 20 30 CGEDMO C=CC[C@H]([NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)OC ZINC000905768782 622109148 /nfs/dbraw/zinc/10/91/48/622109148.db2.gz UTPBMCHTOTZLBN-TUAOUCFPSA-N 1 1 293.329 3.062 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCC2)[C@@H]1C(C)C ZINC000905956569 622132851 /nfs/dbraw/zinc/13/28/51/622132851.db2.gz NALGGIYSXDUIAQ-OWCLPIDISA-N 1 1 278.440 3.044 20 30 CGEDMO CC(C)[C@H]1[N@@H+](C[C@@H](O)CC2(C#N)CCC2)CC12CC=CC2 ZINC000905961639 622133159 /nfs/dbraw/zinc/13/31/59/622133159.db2.gz SPDKAVVVPOJKKC-JKSUJKDBSA-N 1 1 288.435 3.108 20 30 CGEDMO C=CCc1cc(C[N@H+]2CCC[C@H]2C)c(O)c(OC)c1 ZINC000164431089 622834937 /nfs/dbraw/zinc/83/49/37/622834937.db2.gz YGVSKPNOBAODCP-GFCCVEGCSA-N 1 1 261.365 3.114 20 30 CGEDMO N#Cc1cc(F)ccc1CO[NH+]=C(N)CCc1ccccc1 ZINC000171368609 623154958 /nfs/dbraw/zinc/15/49/58/623154958.db2.gz JONSVTWIXNYTGB-UHFFFAOYSA-N 1 1 297.333 3.119 20 30 CGEDMO C=CCn1c(C)nn(C[N@@H+]2C[C@@H](C)CCC[C@@H]2C)c1=S ZINC000172918644 623298239 /nfs/dbraw/zinc/29/82/39/623298239.db2.gz PCWGJKLWTIPUMC-STQMWFEESA-N 1 1 294.468 3.377 20 30 CGEDMO C=CCn1c(C)nn(C[N@H+]2C[C@@H](C)CCC[C@@H]2C)c1=S ZINC000172918644 623298245 /nfs/dbraw/zinc/29/82/45/623298245.db2.gz PCWGJKLWTIPUMC-STQMWFEESA-N 1 1 294.468 3.377 20 30 CGEDMO CC[N@H+](Cc1cc(Cl)cc(C#N)c1)C[C@@H]1CCCO1 ZINC000929417526 623371085 /nfs/dbraw/zinc/37/10/85/623371085.db2.gz AJVWJYVEFCPBHW-HNNXBMFYSA-N 1 1 278.783 3.213 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2cccs2)[C@@H]1C ZINC000993004050 623783318 /nfs/dbraw/zinc/78/33/18/623783318.db2.gz DSXHCVMPVRGPDU-KBPBESRZSA-N 1 1 292.448 3.297 20 30 CGEDMO C[NH+]1CCC[C@H]2C[N@@H+](CCCCC3(C#N)CCC3)CC[C@@H]21 ZINC000929848772 623860174 /nfs/dbraw/zinc/86/01/74/623860174.db2.gz UFPZIPWQNPLVNF-IRXDYDNUSA-N 1 1 289.467 3.267 20 30 CGEDMO C[N@@H+]1CCC[C@H]2CN(CCCCC3(C#N)CCC3)CC[C@@H]21 ZINC000929848772 623860177 /nfs/dbraw/zinc/86/01/77/623860177.db2.gz UFPZIPWQNPLVNF-IRXDYDNUSA-N 1 1 289.467 3.267 20 30 CGEDMO C[N@H+]1CCC[C@H]2CN(CCCCC3(C#N)CCC3)CC[C@@H]21 ZINC000929848772 623860178 /nfs/dbraw/zinc/86/01/78/623860178.db2.gz UFPZIPWQNPLVNF-IRXDYDNUSA-N 1 1 289.467 3.267 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccoc2CC)[C@@H]1C ZINC000993267062 623997107 /nfs/dbraw/zinc/99/71/07/623997107.db2.gz NSGZWJGCTUDDDL-DZGCQCFKSA-N 1 1 290.407 3.001 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccsc2C)[C@@H]1C ZINC000993327680 624025844 /nfs/dbraw/zinc/02/58/44/624025844.db2.gz NJWPZZWGXBDIBC-SWLSCSKDSA-N 1 1 292.448 3.215 20 30 CGEDMO CSCCON=C1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000814922161 624044543 /nfs/dbraw/zinc/04/45/43/624044543.db2.gz XBOZDUFLCSMNEB-CQSZACIVSA-N 1 1 292.448 3.407 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C2CCC3(CC3)CC2)[C@H]1C ZINC000993613997 624055567 /nfs/dbraw/zinc/05/55/67/624055567.db2.gz LSQGPWNIWQBIED-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3C)C2)C1 ZINC001015673996 624055807 /nfs/dbraw/zinc/05/58/07/624055807.db2.gz SUKOPWVDHWDZIL-QGZVFWFLSA-N 1 1 298.430 3.042 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C2CC3(CCC3)C2)[C@@H]1C ZINC000993698661 624058832 /nfs/dbraw/zinc/05/88/32/624058832.db2.gz AUDBZIJDLPRBPM-GOEBONIOSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C2(F)CCCCC2)[C@H]1C ZINC000994154680 624070287 /nfs/dbraw/zinc/07/02/87/624070287.db2.gz CUXVUBPWFHFCSY-CABCVRRESA-N 1 1 296.430 3.204 20 30 CGEDMO C=CC[N@H+](CCCOc1ccc(F)cc1)C(C)C ZINC000917069520 624232715 /nfs/dbraw/zinc/23/27/15/624232715.db2.gz RGLAUEURJUHCGH-UHFFFAOYSA-N 1 1 251.345 3.491 20 30 CGEDMO C=CC[N@@H+](CC(=O)N[C@H]1CCCc2ccccc21)C(C)C ZINC000917167160 624248919 /nfs/dbraw/zinc/24/89/19/624248919.db2.gz XSHDMGFKWCEMDU-KRWDZBQOSA-N 1 1 286.419 3.077 20 30 CGEDMO C#CCCC[N@H+](CCOC)Cc1ccc(C)cc1C ZINC000766896225 624385706 /nfs/dbraw/zinc/38/57/06/624385706.db2.gz QRCZULVWEKJOQN-UHFFFAOYSA-N 1 1 259.393 3.165 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C#N)cc1C)C1CCCC1 ZINC000186256218 625771474 /nfs/dbraw/zinc/77/14/74/625771474.db2.gz HYWNNQZMKVZEHN-UHFFFAOYSA-N 1 1 252.361 3.245 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC23CCC3)CC1 ZINC000998144564 625793570 /nfs/dbraw/zinc/79/35/70/625793570.db2.gz SLVSVQBULIGIPK-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc([C@@H](C)CC)cc2)C1 ZINC001016345406 625968152 /nfs/dbraw/zinc/96/81/52/625968152.db2.gz KCTFKFGDWDKHLJ-YJBOKZPZSA-N 1 1 298.430 3.028 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc([C@@H](C)CC)cc2)C1 ZINC001016345406 625968164 /nfs/dbraw/zinc/96/81/64/625968164.db2.gz KCTFKFGDWDKHLJ-YJBOKZPZSA-N 1 1 298.430 3.028 20 30 CGEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc([C@@H](C)CC)cc2)C1 ZINC001016345404 625968855 /nfs/dbraw/zinc/96/88/55/625968855.db2.gz KCTFKFGDWDKHLJ-MAUKXSAKSA-N 1 1 298.430 3.028 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc([C@@H](C)CC)cc2)C1 ZINC001016345404 625968856 /nfs/dbraw/zinc/96/88/56/625968856.db2.gz KCTFKFGDWDKHLJ-MAUKXSAKSA-N 1 1 298.430 3.028 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@]2(C)CC=CCC2)CC1 ZINC001002904585 625968885 /nfs/dbraw/zinc/96/88/85/625968885.db2.gz WEQAXVFZFVBSIT-MRXNPFEDSA-N 1 1 296.842 3.066 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000922164613 625977350 /nfs/dbraw/zinc/97/73/50/625977350.db2.gz NFWAJYFNJXRKBQ-CZUORRHYSA-N 1 1 280.375 3.167 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](O)c1ccccc1Br ZINC000153980859 626004406 /nfs/dbraw/zinc/00/44/06/626004406.db2.gz MSQISYWLZMBLTI-AWEZNQCLSA-N 1 1 298.224 3.381 20 30 CGEDMO C[C@H](C(=O)OCC1CCC(C#N)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000922476460 626008518 /nfs/dbraw/zinc/00/85/18/626008518.db2.gz BHPDREGBPNCGHI-QGBVMSHASA-N 1 1 292.423 3.121 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)C[C@H]2C=CCC2)CC1 ZINC001005088584 626085969 /nfs/dbraw/zinc/08/59/69/626085969.db2.gz NJBDUCQSYSWPTE-AWEZNQCLSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CCC1(C(=O)OCCn2cc[nH+]c2C)CCCCC1 ZINC000838153883 626195110 /nfs/dbraw/zinc/19/51/10/626195110.db2.gz NOGVHVSSYOYBQV-UHFFFAOYSA-N 1 1 276.380 3.261 20 30 CGEDMO C=C(C)C[N@@H+](CCC(=O)N1CCCC1)Cc1ccccc1 ZINC000838977835 626290318 /nfs/dbraw/zinc/29/03/18/626290318.db2.gz SWDKYGXVMCOIES-UHFFFAOYSA-N 1 1 286.419 3.077 20 30 CGEDMO C=CCc1cc(OCC)cc(C[N@H+](C)[C@H](C)CC#N)c1O ZINC000103460450 626348633 /nfs/dbraw/zinc/34/86/33/626348633.db2.gz ILQDUFLLYWWHNW-CYBMUJFWSA-N 1 1 288.391 3.253 20 30 CGEDMO C=CCc1cc(OCC)cc(C[N@@H+](C)[C@H](C)CC#N)c1O ZINC000103460450 626348634 /nfs/dbraw/zinc/34/86/34/626348634.db2.gz ILQDUFLLYWWHNW-CYBMUJFWSA-N 1 1 288.391 3.253 20 30 CGEDMO CC[N@@H+](C[C@H](O)c1ccc(C)cc1)[C@H](C)CCC#N ZINC000839498229 626357007 /nfs/dbraw/zinc/35/70/07/626357007.db2.gz HJFYIIVODYVVPS-ZBFHGGJFSA-N 1 1 260.381 3.043 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)[C@H]1C ZINC000752089626 626418318 /nfs/dbraw/zinc/41/83/18/626418318.db2.gz WVZNTYXTYZGGGM-NEPJUHHUSA-N 1 1 278.783 3.473 20 30 CGEDMO C[C@H]1C[N@@H+](C)CC1N=Nc1cccc(C(F)(F)F)c1 ZINC000752158124 626420397 /nfs/dbraw/zinc/42/03/97/626420397.db2.gz VHWLUMRMERVUPS-VIFPVBQESA-N 1 1 271.286 3.055 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(OC)nc1)[C@H]1CCc2ccccc21 ZINC000754637088 626580128 /nfs/dbraw/zinc/58/01/28/626580128.db2.gz ARDQJHSIMMTASO-SFHVURJKSA-N 1 1 292.382 3.213 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OC)nc1)[C@H]1CCc2ccccc21 ZINC000754637088 626580130 /nfs/dbraw/zinc/58/01/30/626580130.db2.gz ARDQJHSIMMTASO-SFHVURJKSA-N 1 1 292.382 3.213 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@H+]2C[C@@H](C)C[C@H]2C)c1O ZINC000754741331 626585971 /nfs/dbraw/zinc/58/59/71/626585971.db2.gz LGCHAEFJWHRWGR-QWHCGFSZSA-N 1 1 275.392 3.360 20 30 CGEDMO CC[NH+](CC)[C@@H](C(=O)OCC(C)(C)C#N)c1ccccc1 ZINC000755889969 626655967 /nfs/dbraw/zinc/65/59/67/626655967.db2.gz LXRYEDQOPZNRES-OAHLLOKOSA-N 1 1 288.391 3.162 20 30 CGEDMO C[C@@H]1C[N@H+](C2CC2)CC1N=Nc1cccc(Cl)c1F ZINC000755888771 626656247 /nfs/dbraw/zinc/65/62/47/626656247.db2.gz AASOOSSVICIDBN-SECBINFHSA-N 1 1 281.762 3.361 20 30 CGEDMO COc1cccc(O)c1/C=N/[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000756841239 626736765 /nfs/dbraw/zinc/73/67/65/626736765.db2.gz TWKCGNAFEVVJCQ-MWJIIQFGSA-N 1 1 296.370 3.006 20 30 CGEDMO COc1cccc(O)c1/C=N/[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000756841239 626736770 /nfs/dbraw/zinc/73/67/70/626736770.db2.gz TWKCGNAFEVVJCQ-MWJIIQFGSA-N 1 1 296.370 3.006 20 30 CGEDMO C#CC[N@H+](Cc1cn2cccc(C)c2n1)C1CCCC1 ZINC000756911365 626741213 /nfs/dbraw/zinc/74/12/13/626741213.db2.gz KQUVUXDPBZDAKP-UHFFFAOYSA-N 1 1 267.376 3.021 20 30 CGEDMO C=CCC[N@H+](C)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000839576598 626762474 /nfs/dbraw/zinc/76/24/74/626762474.db2.gz OWQFXGFNQTTXNH-CQSZACIVSA-N 1 1 282.428 3.141 20 30 CGEDMO CCCCCCCCC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000758200009 626832891 /nfs/dbraw/zinc/83/28/91/626832891.db2.gz DXOVFSRVZXUKBK-GOEBONIOSA-N 1 1 280.456 3.336 20 30 CGEDMO Cc1ccn(C[N@@H+](CC2CC2)C2CCCCC2)c(=O)c1C#N ZINC000758220353 626834013 /nfs/dbraw/zinc/83/40/13/626834013.db2.gz OEWNIUAYGZVBIW-UHFFFAOYSA-N 1 1 299.418 3.031 20 30 CGEDMO C#CC[N@H+](Cc1ccc(F)c(C#N)c1)C1CCCCC1 ZINC000758700763 626855508 /nfs/dbraw/zinc/85/55/08/626855508.db2.gz ZSVIGTDZIHZOSK-UHFFFAOYSA-N 1 1 270.351 3.465 20 30 CGEDMO COc1cc(F)cc(NN=Cc2[nH+]c(C)n3ccccc23)c1 ZINC000759209193 626881611 /nfs/dbraw/zinc/88/16/11/626881611.db2.gz BJHLRSOEFDUVKQ-UHFFFAOYSA-N 1 1 298.321 3.236 20 30 CGEDMO C#CCCCC(=O)O[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000759632115 626910622 /nfs/dbraw/zinc/91/06/22/626910622.db2.gz RBOXBYCFPHAHCZ-FUHWJXTLSA-N 1 1 299.414 3.244 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1ccccc1C(F)(F)F ZINC000760817661 626993680 /nfs/dbraw/zinc/99/36/80/626993680.db2.gz AXYJAUDYEAFBBE-UHFFFAOYSA-N 1 1 285.309 3.177 20 30 CGEDMO C#CCC[N@@H+](CC)CCOc1ccc(Br)cc1 ZINC000760843216 626995506 /nfs/dbraw/zinc/99/55/06/626995506.db2.gz IGDUUQJCBJLNCO-UHFFFAOYSA-N 1 1 296.208 3.173 20 30 CGEDMO C[C@H]1C[N@H+](C[C@@H](C#N)CCC#N)Cc2ccccc21 ZINC000763629187 627170936 /nfs/dbraw/zinc/17/09/36/627170936.db2.gz PSAPBAQLIRDGTA-UONOGXRCSA-N 1 1 253.349 3.049 20 30 CGEDMO C[C@H]1C[N@@H+](C[C@@H](C#N)CCC#N)Cc2ccccc21 ZINC000763629187 627170937 /nfs/dbraw/zinc/17/09/37/627170937.db2.gz PSAPBAQLIRDGTA-UONOGXRCSA-N 1 1 253.349 3.049 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OC)c(Br)c1)C1CC1 ZINC000763950734 627186876 /nfs/dbraw/zinc/18/68/76/627186876.db2.gz YGBVCTMIXSEITA-UHFFFAOYSA-N 1 1 294.192 3.055 20 30 CGEDMO CCCCCCCC(=O)N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC000765931341 627279175 /nfs/dbraw/zinc/27/91/75/627279175.db2.gz SMWHQHOAUMXRSR-LSDHHAIUSA-N 1 1 268.445 3.288 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@H](C)[C@H]1CNC(=O)OC(C)(C)C ZINC000766904115 627369367 /nfs/dbraw/zinc/36/93/67/627369367.db2.gz WPWDAKPOGRMCJU-LSDHHAIUSA-N 1 1 294.439 3.025 20 30 CGEDMO C#CCCC[N@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000766939022 627371842 /nfs/dbraw/zinc/37/18/42/627371842.db2.gz GNJJNGMJMBJEEW-HNNXBMFYSA-N 1 1 295.329 3.075 20 30 CGEDMO C#C[C@@H](C)N(C)c1cc(C)[nH+]c2c(OC)cccc12 ZINC000767439656 627408763 /nfs/dbraw/zinc/40/87/63/627408763.db2.gz LHZCSWSEKJHGOY-GFCCVEGCSA-N 1 1 254.333 3.010 20 30 CGEDMO C=C[C@H](CC(=O)OCCCn1cc[nH+]c1C)c1ccccc1 ZINC000767723705 627432571 /nfs/dbraw/zinc/43/25/71/627432571.db2.gz MDDWRLYPIQZQTA-MRXNPFEDSA-N 1 1 298.386 3.485 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767881984 627440933 /nfs/dbraw/zinc/44/09/33/627440933.db2.gz GPWSNHSWBXYNTB-HIFRSBDPSA-N 1 1 299.336 3.432 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+](C)Cc1cccs1 ZINC000768161318 627464030 /nfs/dbraw/zinc/46/40/30/627464030.db2.gz XVXRSIAYVTXQAB-UHFFFAOYSA-N 1 1 271.385 3.392 20 30 CGEDMO CC[N@@H+]1CCCC[C@H]1C(=O)OCCCCC(C)(C)C#N ZINC000768716413 627495494 /nfs/dbraw/zinc/49/54/94/627495494.db2.gz BESUSIKEDCDHEF-AWEZNQCLSA-N 1 1 280.412 3.124 20 30 CGEDMO CC[N@H+]1CCCC[C@H]1C(=O)OCCCCC(C)(C)C#N ZINC000768716413 627495496 /nfs/dbraw/zinc/49/54/96/627495496.db2.gz BESUSIKEDCDHEF-AWEZNQCLSA-N 1 1 280.412 3.124 20 30 CGEDMO C#CC[N@H+](CC)Cc1cccc(OC(F)(F)F)c1 ZINC000769111433 627523308 /nfs/dbraw/zinc/52/33/08/627523308.db2.gz OTJVTARZLNGEEZ-UHFFFAOYSA-N 1 1 257.255 3.040 20 30 CGEDMO C#CC[N@@H+](CC)Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000769110775 627523366 /nfs/dbraw/zinc/52/33/66/627523366.db2.gz HLBVFEXNSKMVHN-UHFFFAOYSA-N 1 1 285.366 3.083 20 30 CGEDMO C#CC[N@H+](CC)Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000769110775 627523369 /nfs/dbraw/zinc/52/33/69/627523369.db2.gz HLBVFEXNSKMVHN-UHFFFAOYSA-N 1 1 285.366 3.083 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000769141804 627525519 /nfs/dbraw/zinc/52/55/19/627525519.db2.gz MCSRSYHQPDHHJD-OKILXGFUSA-N 1 1 275.417 3.024 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OC)c(O)c1)C1CCCCC1 ZINC000769146414 627526169 /nfs/dbraw/zinc/52/61/69/627526169.db2.gz XCDOQDREPMFEFA-UHFFFAOYSA-N 1 1 273.376 3.169 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CCC[C@H]2C2CC2)cc1 ZINC000769328464 627542032 /nfs/dbraw/zinc/54/20/32/627542032.db2.gz ILPFEKZZDLBQFL-SFHVURJKSA-N 1 1 269.388 3.463 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CCS[C@@H](CC)C2)cc1 ZINC000769445586 627553035 /nfs/dbraw/zinc/55/30/35/627553035.db2.gz HAQRYSPNZGBQRL-KRWDZBQOSA-N 1 1 289.444 3.416 20 30 CGEDMO Cc1cccc(C[N@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)n1 ZINC000769479318 627558730 /nfs/dbraw/zinc/55/87/30/627558730.db2.gz HOQUFTLIBQHYPQ-OAHLLOKOSA-N 1 1 295.386 3.313 20 30 CGEDMO C[C@H]1CC(=NNCC(F)(F)F)C[N@@H+](Cc2ccccc2)C1 ZINC000769820740 627580746 /nfs/dbraw/zinc/58/07/46/627580746.db2.gz CNDWIMHMRUZWIR-LBPRGKRZSA-N 1 1 299.340 3.036 20 30 CGEDMO C[C@H]1CC(=NNCC(F)(F)F)C[N@H+](Cc2ccccc2)C1 ZINC000769820740 627580748 /nfs/dbraw/zinc/58/07/48/627580748.db2.gz CNDWIMHMRUZWIR-LBPRGKRZSA-N 1 1 299.340 3.036 20 30 CGEDMO CC(=NNCC(F)(F)F)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000769824297 627581825 /nfs/dbraw/zinc/58/18/25/627581825.db2.gz HBJJBEQTNRCHIC-UHFFFAOYSA-N 1 1 296.296 3.057 20 30 CGEDMO Cc1cccc(F)c1N=NC1C[N@@H+](C2CC2)C[C@@H]1C ZINC000769827495 627581984 /nfs/dbraw/zinc/58/19/84/627581984.db2.gz ALRWEWRDCVOJDL-NSHDSACASA-N 1 1 261.344 3.016 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1cccc(Br)c1C ZINC000769962222 627592774 /nfs/dbraw/zinc/59/27/74/627592774.db2.gz VHADEPBKNWRCDM-JTQLQIEISA-N 1 1 266.182 3.211 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CCCC23CCC3)cc1 ZINC000769985134 627594917 /nfs/dbraw/zinc/59/49/17/627594917.db2.gz VNIIKTODKJIWHJ-UHFFFAOYSA-N 1 1 256.349 3.107 20 30 CGEDMO C=CCCCC[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000769988950 627595463 /nfs/dbraw/zinc/59/54/63/627595463.db2.gz OPIVLFUHIAFNQP-LBPRGKRZSA-N 1 1 277.364 3.186 20 30 CGEDMO C=C(Cl)C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000773003479 627840004 /nfs/dbraw/zinc/84/00/04/627840004.db2.gz DPVPGLFWSFHZNH-SNVBAGLBSA-N 1 1 297.189 3.324 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(OC(F)F)c(Cl)c1 ZINC000775184075 628069007 /nfs/dbraw/zinc/06/90/07/628069007.db2.gz VDQCKQWRBHUGOU-SECBINFHSA-N 1 1 273.710 3.395 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000775184991 628070919 /nfs/dbraw/zinc/07/09/19/628070919.db2.gz UNECEMILBBVABU-HNNXBMFYSA-N 1 1 289.382 3.479 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(C)c(OC(F)F)c(C)c1 ZINC000775184037 628070997 /nfs/dbraw/zinc/07/09/97/628070997.db2.gz SVOFIQLUEJODSD-GFCCVEGCSA-N 1 1 267.319 3.358 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1cc(Cl)ccc1Cl)[C@@H]1CCCO1 ZINC000775343710 628084822 /nfs/dbraw/zinc/08/48/22/628084822.db2.gz XJGDMQWHTSOZPK-KGLIPLIRSA-N 1 1 284.186 3.264 20 30 CGEDMO C#C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1Cl)[C@@H]1CCCO1 ZINC000775574829 628109694 /nfs/dbraw/zinc/10/96/94/628109694.db2.gz SDBDDPKQMYDNBH-LKTVYLICSA-N 1 1 281.758 3.311 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000775590054 628112156 /nfs/dbraw/zinc/11/21/56/628112156.db2.gz AOTZPNMFJDACHG-CQSZACIVSA-N 1 1 282.428 3.284 20 30 CGEDMO N#CC1(C[N@@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)CC1 ZINC000775975528 628155006 /nfs/dbraw/zinc/15/50/06/628155006.db2.gz PASOSRIISBUADW-MRXNPFEDSA-N 1 1 296.370 3.119 20 30 CGEDMO N#CC1(C[N@H+](Cc2ccccc2)C[C@@H](O)c2ccco2)CC1 ZINC000775975528 628155008 /nfs/dbraw/zinc/15/50/08/628155008.db2.gz PASOSRIISBUADW-MRXNPFEDSA-N 1 1 296.370 3.119 20 30 CGEDMO CCCCCCCC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000874846519 634631593 /nfs/dbraw/zinc/63/15/93/634631593.db2.gz KDGQRFNSBOHCQT-LSDHHAIUSA-N 1 1 266.429 3.042 20 30 CGEDMO C=CC[N@H+](CN1C[C@@](C)(c2ccccc2)CC1=O)C(C)C ZINC000777521618 628277788 /nfs/dbraw/zinc/27/77/88/628277788.db2.gz AMAGSHVCDATYDM-SFHVURJKSA-N 1 1 286.419 3.031 20 30 CGEDMO C=CC[N@@H+](CN1C[C@@](C)(c2ccccc2)CC1=O)C(C)C ZINC000777521618 628277790 /nfs/dbraw/zinc/27/77/90/628277790.db2.gz AMAGSHVCDATYDM-SFHVURJKSA-N 1 1 286.419 3.031 20 30 CGEDMO COc1cc(C(C)=NNc2cc[nH+]cc2)ccc1SC ZINC000779807439 628432985 /nfs/dbraw/zinc/43/29/85/628432985.db2.gz XDKHGSZGARSSSQ-UHFFFAOYSA-N 1 1 287.388 3.070 20 30 CGEDMO C(=NNc1cc[nH+]cc1)c1csc(-c2ccccc2)n1 ZINC000779808308 628433473 /nfs/dbraw/zinc/43/34/73/628433473.db2.gz HKMNTUPEWYNOJF-UHFFFAOYSA-N 1 1 280.356 3.073 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2cc(F)cc(Cl)c2)nc1 ZINC000780557139 628499836 /nfs/dbraw/zinc/49/98/36/628499836.db2.gz UTZHPWDZEGBGOJ-UHFFFAOYSA-N 1 1 275.714 3.036 20 30 CGEDMO C=CC[N@@H+](Cc1cncn1Cc1ccccc1)C(C)C ZINC000782482226 628649258 /nfs/dbraw/zinc/64/92/58/628649258.db2.gz MJGVESRECRWYFG-UHFFFAOYSA-N 1 1 269.392 3.328 20 30 CGEDMO Cc1c([C@@H](C)[NH2+]Cc2ccc(C#N)cn2)cccc1[N+](=O)[O-] ZINC000783299818 628700657 /nfs/dbraw/zinc/70/06/57/628700657.db2.gz FYVXFBAUXSMTTG-GFCCVEGCSA-N 1 1 296.330 3.021 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(OCOCC)cc1 ZINC000783376871 628705990 /nfs/dbraw/zinc/70/59/90/628705990.db2.gz CAKIEPFKWPDDED-UHFFFAOYSA-N 1 1 263.381 3.457 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](C[C@@H]2CCc3ccccc32)C1 ZINC000784451564 628814311 /nfs/dbraw/zinc/81/43/11/628814311.db2.gz IBUDYPBNGJZWOV-DOTOQJQBSA-N 1 1 254.377 3.342 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000785998276 628906922 /nfs/dbraw/zinc/90/69/22/628906922.db2.gz BNMHYNRCUMHVLH-GOSISDBHSA-N 1 1 298.430 3.463 20 30 CGEDMO C=CCC[N@@H+](C)CN1C(=S)N=NC1CCC1CCCC1 ZINC000786102748 628914455 /nfs/dbraw/zinc/91/44/55/628914455.db2.gz TWBFLBYTYIRELI-UHFFFAOYSA-N 1 1 294.468 3.155 20 30 CGEDMO C=CCC[N@H+](C)CN1C(=S)N=NC1CCC1CCCC1 ZINC000786102748 628914457 /nfs/dbraw/zinc/91/44/57/628914457.db2.gz TWBFLBYTYIRELI-UHFFFAOYSA-N 1 1 294.468 3.155 20 30 CGEDMO C#CCC[N@H+](CCC)[C@@H](C)C(=O)Nc1ccccc1C ZINC000786133828 628915989 /nfs/dbraw/zinc/91/59/89/628915989.db2.gz PNZFTZYWKLWGPC-HNNXBMFYSA-N 1 1 272.392 3.057 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc(=O)oc2cc(O)c(CC)cc12 ZINC000786439235 628932781 /nfs/dbraw/zinc/93/27/81/628932781.db2.gz YKMDPBZTOZBZSN-UHFFFAOYSA-N 1 1 287.359 3.069 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000786445128 628933447 /nfs/dbraw/zinc/93/34/47/628933447.db2.gz MOIIQCRBZPAOHQ-ZDUSSCGKSA-N 1 1 257.736 3.020 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CC[C@@H](C(C)(C)C)C[C@@H]1C ZINC000805838775 629013544 /nfs/dbraw/zinc/01/35/44/629013544.db2.gz HHOMCGSVAZWTOJ-BFHYXJOUSA-N 1 1 252.402 3.062 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCc3ccc(F)cc3C2)cc1 ZINC000787771111 629029005 /nfs/dbraw/zinc/02/90/05/629029005.db2.gz LHTVCKNBNPKSNV-UHFFFAOYSA-N 1 1 265.331 3.365 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000787995697 629038200 /nfs/dbraw/zinc/03/82/00/629038200.db2.gz QAARNXDFYQAPNY-MRXNPFEDSA-N 1 1 280.412 3.038 20 30 CGEDMO C#CCCOc1ccc(C[N@H+](C)Cc2ccc(C)cn2)cc1 ZINC000789594900 629149474 /nfs/dbraw/zinc/14/94/74/629149474.db2.gz PDCXOTGVQOZDDH-UHFFFAOYSA-N 1 1 294.398 3.424 20 30 CGEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)OC[C@H](C)C#N)cc1 ZINC000805899097 629154752 /nfs/dbraw/zinc/15/47/52/629154752.db2.gz IGZDKCQGUZKQEZ-CQSZACIVSA-N 1 1 288.391 3.235 20 30 CGEDMO CC[C@@H](C)NN=C1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000790181311 629189335 /nfs/dbraw/zinc/18/93/35/629189335.db2.gz COSYTTVKPFNCDL-LSDHHAIUSA-N 1 1 273.424 3.273 20 30 CGEDMO CC[C@@H](C)NN=C1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000790181311 629189338 /nfs/dbraw/zinc/18/93/38/629189338.db2.gz COSYTTVKPFNCDL-LSDHHAIUSA-N 1 1 273.424 3.273 20 30 CGEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2oc(C)nc2C)c1 ZINC000862280466 629337986 /nfs/dbraw/zinc/33/79/86/629337986.db2.gz JPLFMXPJKXLIIB-HNNXBMFYSA-N 1 1 299.374 3.262 20 30 CGEDMO C#CCC[N@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000792431877 629359818 /nfs/dbraw/zinc/35/98/18/629359818.db2.gz LOPRRGYVGDDYNL-UHFFFAOYSA-N 1 1 255.283 3.464 20 30 CGEDMO C=C(Br)C[N@H+](CCOC)[C@@H]1CC[C@H](C)C1 ZINC000792465157 629361296 /nfs/dbraw/zinc/36/12/96/629361296.db2.gz KNGRYURURHPNDH-CMPLNLGQSA-N 1 1 276.218 3.032 20 30 CGEDMO CCCCCCCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000875764891 634730399 /nfs/dbraw/zinc/73/03/99/634730399.db2.gz UVJJKYPVRUSHSW-JKSUJKDBSA-N 1 1 295.471 3.083 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC000862442280 629374059 /nfs/dbraw/zinc/37/40/59/629374059.db2.gz BFKRPDQOCWZZIT-GFCCVEGCSA-N 1 1 293.794 3.202 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000862441746 629374277 /nfs/dbraw/zinc/37/42/77/629374277.db2.gz VJIVCTBWEDFAOR-LLVKDONJSA-N 1 1 251.757 3.444 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000862444906 629378196 /nfs/dbraw/zinc/37/81/96/629378196.db2.gz IPUMTGIJLOBDHL-CYBMUJFWSA-N 1 1 279.330 3.176 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2sccc2Br)C1 ZINC000862445242 629378727 /nfs/dbraw/zinc/37/87/27/629378727.db2.gz OWPBFHUCAUPDSW-JTQLQIEISA-N 1 1 284.222 3.356 20 30 CGEDMO C#CC[C@H]1CC[N@H+](C/C=C\c2ccc(F)cc2F)C1 ZINC000862445648 629378968 /nfs/dbraw/zinc/37/89/68/629378968.db2.gz YUIROPZVWPWUEK-DXTPNHAXSA-N 1 1 261.315 3.323 20 30 CGEDMO C#CCCC[N@H+](C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000792879568 629389551 /nfs/dbraw/zinc/38/95/51/629389551.db2.gz IWJNAHYSWUFMFW-GOSISDBHSA-N 1 1 269.388 3.370 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)cc1 ZINC000793230247 629432341 /nfs/dbraw/zinc/43/23/41/629432341.db2.gz FNWRAJWFOKJAQV-IUODEOHRSA-N 1 1 297.320 3.471 20 30 CGEDMO N#CC1(c2ccccc2)CCC(=[NH+]n2cccn2)CC1 ZINC000863165951 629488097 /nfs/dbraw/zinc/48/80/97/629488097.db2.gz QNHFMFWOEIAVIY-UHFFFAOYSA-N 1 1 264.332 3.123 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@@H+]2CC[C@@H]2CC)c1O ZINC000793821794 629503740 /nfs/dbraw/zinc/50/37/40/629503740.db2.gz SVYIOOFFZWEREH-AWEZNQCLSA-N 1 1 261.365 3.114 20 30 CGEDMO C=CCCC[N@H+](C)CN1C[C@H](c2ccccc2)OC1=O ZINC000863260642 629514721 /nfs/dbraw/zinc/51/47/21/629514721.db2.gz OKXLIGWZLPBFPD-OAHLLOKOSA-N 1 1 274.364 3.035 20 30 CGEDMO C[C@H]1CC(=NNCCC(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000794553071 629555458 /nfs/dbraw/zinc/55/54/58/629555458.db2.gz XANCKFYRDPPZGN-LBPRGKRZSA-N 1 1 299.340 3.179 20 30 CGEDMO C[C@H]1CC(=NNCCC(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000794553071 629555463 /nfs/dbraw/zinc/55/54/63/629555463.db2.gz XANCKFYRDPPZGN-LBPRGKRZSA-N 1 1 299.340 3.179 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@](C)(c2ccccc2)CC1 ZINC000796199704 629752277 /nfs/dbraw/zinc/75/22/77/629752277.db2.gz SKVQZCVGSLOZQG-AEFFLSMTSA-N 1 1 286.419 3.359 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@H](O)CCC(C)C ZINC000796455586 629783325 /nfs/dbraw/zinc/78/33/25/629783325.db2.gz NLYYAWNIXBJQAA-QGZVFWFLSA-N 1 1 277.383 3.058 20 30 CGEDMO C#CC[N@@H+](CCOc1ccccc1C#N)Cc1ccccc1 ZINC000796637558 629808148 /nfs/dbraw/zinc/80/81/48/629808148.db2.gz DPQXUQOPCFBHBO-UHFFFAOYSA-N 1 1 290.366 3.072 20 30 CGEDMO C=C(C)CN1CCC([NH2+]Cc2cc(C)oc2C)CC1 ZINC000120045533 629834131 /nfs/dbraw/zinc/83/41/31/629834131.db2.gz GWLYOSHQMMMZHE-UHFFFAOYSA-N 1 1 262.397 3.027 20 30 CGEDMO C=C(Cl)C[S@@](=O)Cc1c(C)cc(C)[nH+]c1C ZINC000864485765 629843875 /nfs/dbraw/zinc/84/38/75/629843875.db2.gz VWBNGYZJYVDHLV-MRXNPFEDSA-N 1 1 257.786 3.008 20 30 CGEDMO CCCCCCC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21 ZINC000796856945 629849276 /nfs/dbraw/zinc/84/92/76/629849276.db2.gz OMSSDWKKDHMKCA-XHSDSOJGSA-N 1 1 252.446 3.419 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cnc(Cl)cn1 ZINC000799124646 630142625 /nfs/dbraw/zinc/14/26/25/630142625.db2.gz ONCJOYZANRIUGA-UHFFFAOYSA-N 1 1 253.777 3.308 20 30 CGEDMO CCCC[N@@H+](Cc1ccccc1O)CC1(C#N)CC1 ZINC000801594803 630346901 /nfs/dbraw/zinc/34/69/01/630346901.db2.gz OTNTZJALRMXFIG-UHFFFAOYSA-N 1 1 258.365 3.298 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000801918023 630365809 /nfs/dbraw/zinc/36/58/09/630365809.db2.gz VWRLEVVMHGQCFB-DOTOQJQBSA-N 1 1 272.392 3.012 20 30 CGEDMO CC(C)C[N@@H+](CCO[C@H](C)C#N)Cc1ccccc1F ZINC000801915235 630365930 /nfs/dbraw/zinc/36/59/30/630365930.db2.gz LMAKCIMPSWPSFP-CQSZACIVSA-N 1 1 278.371 3.212 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000801920276 630367111 /nfs/dbraw/zinc/36/71/11/630367111.db2.gz OQWJNAYACSAPOQ-AWEZNQCLSA-N 1 1 288.391 3.065 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@H]1CCC1CCCC1 ZINC000801929194 630368456 /nfs/dbraw/zinc/36/84/56/630368456.db2.gz IFLXNGBCQRBJAT-ZBFHGGJFSA-N 1 1 264.413 3.350 20 30 CGEDMO C=CCC[N@@H+](C)CN1C(=O)C2(CCC2)[C@H]1c1ccccc1 ZINC000840050519 630537173 /nfs/dbraw/zinc/53/71/73/630537173.db2.gz CXYANRKOFVQYPO-MRXNPFEDSA-N 1 1 284.403 3.206 20 30 CGEDMO C=CCC[N@H+](C)CN1C(=O)C2(CCC2)[C@H]1c1ccccc1 ZINC000840050519 630537177 /nfs/dbraw/zinc/53/71/77/630537177.db2.gz CXYANRKOFVQYPO-MRXNPFEDSA-N 1 1 284.403 3.206 20 30 CGEDMO C=CC[N@@H+](CC1CCCCC1)CN1CC(C)(C)CC1=O ZINC000808156771 630627602 /nfs/dbraw/zinc/62/76/02/630627602.db2.gz BNPHRPBLFHFSBW-UHFFFAOYSA-N 1 1 278.440 3.271 20 30 CGEDMO C#Cc1ccc(CNCC[NH+]2[C@H](C)CCC[C@H]2C)cc1 ZINC000809617703 630763778 /nfs/dbraw/zinc/76/37/78/630763778.db2.gz UJPZZBWBNVDCII-HZPDHXFCSA-N 1 1 270.420 3.020 20 30 CGEDMO C#C[C@H](CC)[NH2+]Cc1c(F)cccc1OC(F)(F)F ZINC000809685665 630781992 /nfs/dbraw/zinc/78/19/92/630781992.db2.gz JHZJSZULIJKTOS-SECBINFHSA-N 1 1 275.245 3.226 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ccccc1O ZINC000809701748 630785561 /nfs/dbraw/zinc/78/55/61/630785561.db2.gz JXAZLXUCOGABMH-UHFFFAOYSA-N 1 1 287.359 3.056 20 30 CGEDMO CN(Cc1ccc(C#N)s1)Cc1ccc(C[NH+](C)C)cc1 ZINC000809738656 630795535 /nfs/dbraw/zinc/79/55/35/630795535.db2.gz DGCJZURABPDTOM-UHFFFAOYSA-N 1 1 299.443 3.313 20 30 CGEDMO C#C[C@H]([NH2+]Cc1c[nH]c(-c2ccccc2)n1)C(C)(C)C ZINC000809782164 630807886 /nfs/dbraw/zinc/80/78/86/630807886.db2.gz JLWXNHUHAMZHAO-HNNXBMFYSA-N 1 1 267.376 3.214 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)cc1 ZINC000811513064 631079633 /nfs/dbraw/zinc/07/96/33/631079633.db2.gz DBHFPXIEKHERJM-KRWDZBQOSA-N 1 1 251.373 3.432 20 30 CGEDMO C=CCCCCC[N@H+](C)CN1C(=O)C(C)(C)[C@H]1C1CC1 ZINC000811747997 631117171 /nfs/dbraw/zinc/11/71/71/631117171.db2.gz IQKGIUIOEBXHIO-OAHLLOKOSA-N 1 1 278.440 3.269 20 30 CGEDMO CC(C)OCCON=C1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000812238982 631229600 /nfs/dbraw/zinc/22/96/00/631229600.db2.gz KKMOKHWANAYBRX-HNNXBMFYSA-N 1 1 290.407 3.078 20 30 CGEDMO CC[N@@H+](CCCCC#N)[C@H](C)[C@H](O)c1ccccc1 ZINC000812850456 631325490 /nfs/dbraw/zinc/32/54/90/631325490.db2.gz SRUQOBVPLTYSEV-ZBFHGGJFSA-N 1 1 260.381 3.124 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@@H](CSC)C2)cc1 ZINC000814178816 631540668 /nfs/dbraw/zinc/54/06/68/631540668.db2.gz DTSUTUJGSNCBNY-MRXNPFEDSA-N 1 1 289.444 3.274 20 30 CGEDMO CC(=[NH+]N[C@H](C)c1ccccc1)c1cc(N)ccc1F ZINC000814815021 631647970 /nfs/dbraw/zinc/64/79/70/631647970.db2.gz JPQBAVWEYSJWPT-LLVKDONJSA-N 1 1 271.339 3.483 20 30 CGEDMO c1cc2c3c(c1)C(=[NH+]O[C@H]1CCCCO1)CC[C@@H]3CN2 ZINC000814887517 631665994 /nfs/dbraw/zinc/66/59/94/631665994.db2.gz OMSVVCFWVJBBOF-ABAIWWIYSA-N 1 1 272.348 3.237 20 30 CGEDMO C=CCOCC[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000815019557 631705472 /nfs/dbraw/zinc/70/54/72/631705472.db2.gz QFRBSBMUSUERSB-UHFFFAOYSA-N 1 1 276.424 3.166 20 30 CGEDMO CC[N@@H+](C[C@H](O)c1ccc(C)cc1)[C@@H]1CC[C@H](C#N)C1 ZINC000815054524 631708661 /nfs/dbraw/zinc/70/86/61/631708661.db2.gz IAYAEAAKFQUMBL-UAGQMJEPSA-N 1 1 272.392 3.043 20 30 CGEDMO C#CC[N@H+](CCC1(OC)CCC1)Cc1ccccc1 ZINC000815118046 631721719 /nfs/dbraw/zinc/72/17/19/631721719.db2.gz XBJOROXNEAIPFT-UHFFFAOYSA-N 1 1 257.377 3.081 20 30 CGEDMO C#CC[N@H+](CC#CC)Cc1ccc2ccccc2c1O ZINC000816513698 631999969 /nfs/dbraw/zinc/99/99/69/631999969.db2.gz ZFIDFQXOSWDDSV-UHFFFAOYSA-N 1 1 263.340 3.004 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@@]1(C)Cc1ccc(F)cc1 ZINC000817276412 632114069 /nfs/dbraw/zinc/11/40/69/632114069.db2.gz DEAGZMZWVAPQKE-YOEHRIQHSA-N 1 1 290.382 3.151 20 30 CGEDMO C#CC[N@H+](C)CCCNC(=O)[C@@H](CC)CC1CCCCC1 ZINC000818588882 632338932 /nfs/dbraw/zinc/33/89/32/632338932.db2.gz IHVOETIZMOSUIE-KRWDZBQOSA-N 1 1 292.467 3.054 20 30 CGEDMO C=C(C)C(C)(C)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000819116190 632381886 /nfs/dbraw/zinc/38/18/86/632381886.db2.gz OXQGQJQCYPAEKT-UHFFFAOYSA-N 1 1 284.363 3.117 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000880053699 635905906 /nfs/dbraw/zinc/90/59/06/635905906.db2.gz QOKKLOVJKUMJQM-FZMZJTMJSA-N 1 1 298.308 3.272 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000880053699 635905908 /nfs/dbraw/zinc/90/59/08/635905908.db2.gz QOKKLOVJKUMJQM-FZMZJTMJSA-N 1 1 298.308 3.272 20 30 CGEDMO Cc1cc(C)cc(-c2noc([C@@H]([NH3+])CCCC#N)n2)c1 ZINC000822804079 633022887 /nfs/dbraw/zinc/02/28/87/633022887.db2.gz WEGUYGZKVMEWOQ-ZDUSSCGKSA-N 1 1 270.336 3.047 20 30 CGEDMO C=C(Br)C[N@@H+](C)[C@H]1C[C@@H](OCC)C12CCC2 ZINC000121028484 633093577 /nfs/dbraw/zinc/09/35/77/633093577.db2.gz NAAUTZHJTPVTAL-NWDGAFQWSA-N 1 1 288.229 3.175 20 30 CGEDMO C=C(Br)C[N@H+](C)[C@H]1C[C@@H](OCC)C12CCC2 ZINC000121028484 633093585 /nfs/dbraw/zinc/09/35/85/633093585.db2.gz NAAUTZHJTPVTAL-NWDGAFQWSA-N 1 1 288.229 3.175 20 30 CGEDMO C=CC[N@H+](Cc1cnn(-c2ccc(OC)cc2)c1)C(C)C ZINC000823408603 633100095 /nfs/dbraw/zinc/10/00/95/633100095.db2.gz NMMVTATYSAYTDN-UHFFFAOYSA-N 1 1 285.391 3.277 20 30 CGEDMO CC1(C#N)CCC([NH2+]Cc2nc(-c3ccccc3)n[nH]2)CC1 ZINC000824091122 633193743 /nfs/dbraw/zinc/19/37/43/633193743.db2.gz BUHFVPWMIKAGDH-UHFFFAOYSA-N 1 1 295.390 3.034 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CC[C@H]2C2CC2)cc1 ZINC000824649839 633267694 /nfs/dbraw/zinc/26/76/94/633267694.db2.gz GVVQVAFSNVNUDH-KRWDZBQOSA-N 1 1 255.361 3.073 20 30 CGEDMO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@H](CF)C2)c1 ZINC000880299858 635969466 /nfs/dbraw/zinc/96/94/66/635969466.db2.gz YONSLUALTNVXGU-LLVKDONJSA-N 1 1 297.171 3.112 20 30 CGEDMO C=C(C)C[N@@H+](CC)C[C@H]1CN(C2CCCCC2)C(=O)O1 ZINC000827726207 633513366 /nfs/dbraw/zinc/51/33/66/633513366.db2.gz VIWOAWBKFANUJJ-HNNXBMFYSA-N 1 1 280.412 3.038 20 30 CGEDMO C[N@@H+](CCc1ccc(C#N)cc1)Cc1cc(C#N)cs1 ZINC000827807147 633519714 /nfs/dbraw/zinc/51/97/14/633519714.db2.gz YPKBAWCQEAHVHM-UHFFFAOYSA-N 1 1 281.384 3.166 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1cccc(-c2ccccn2)c1 ZINC000827823576 633522158 /nfs/dbraw/zinc/52/21/58/633522158.db2.gz QEOXDOKXPFJDOJ-UHFFFAOYSA-N 1 1 294.398 3.220 20 30 CGEDMO C#CCCCCC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000870121328 633532891 /nfs/dbraw/zinc/53/28/91/633532891.db2.gz CADKOCWPGYQLLS-KRWDZBQOSA-N 1 1 298.430 3.085 20 30 CGEDMO C[C@H](C[C@H]1CCCC[N@H+]1C)OC(=O)c1ccc(C#N)s1 ZINC000870786356 633645828 /nfs/dbraw/zinc/64/58/28/633645828.db2.gz BPDDYWMPYLYTDE-VXGBXAGGSA-N 1 1 292.404 3.039 20 30 CGEDMO C[C@H](C[C@@H]1CCCC[N@H+]1C)OC(=O)c1cc(C#N)cs1 ZINC000870788080 633647176 /nfs/dbraw/zinc/64/71/76/633647176.db2.gz DNUAVCJWYPHIBZ-YPMHNXCESA-N 1 1 292.404 3.039 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000829682123 633766350 /nfs/dbraw/zinc/76/63/50/633766350.db2.gz WLYLVFLNNDUCKT-AWEZNQCLSA-N 1 1 289.423 3.335 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000829784205 633782879 /nfs/dbraw/zinc/78/28/79/633782879.db2.gz HIJVDNQJDVUCGC-LBPRGKRZSA-N 1 1 292.766 3.484 20 30 CGEDMO C#CC[C@H]1CCC[N@H+]([C@H](C)c2cccc(OC)c2)C1 ZINC000829784030 633783167 /nfs/dbraw/zinc/78/31/67/633783167.db2.gz DVYDEKRFPLEWLH-CABCVRRESA-N 1 1 257.377 3.492 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Cl)C1 ZINC000829789369 633785610 /nfs/dbraw/zinc/78/56/10/633785610.db2.gz TXXLQNZFJSNTGT-CYBMUJFWSA-N 1 1 290.794 3.014 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2Cl)C1 ZINC000829789369 633785619 /nfs/dbraw/zinc/78/56/19/633785619.db2.gz TXXLQNZFJSNTGT-CYBMUJFWSA-N 1 1 290.794 3.014 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000829810153 633792676 /nfs/dbraw/zinc/79/26/76/633792676.db2.gz MHHCINMBEJYCFH-LBPRGKRZSA-N 1 1 292.766 3.484 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000829810063 633793040 /nfs/dbraw/zinc/79/30/40/633793040.db2.gz LJUILUGLDPHJLB-BLLLJJGKSA-N 1 1 295.785 3.248 20 30 CGEDMO CCCc1[nH+]ccn1CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000871660766 633814672 /nfs/dbraw/zinc/81/46/72/633814672.db2.gz ZVPWDYUMMQRTIT-GOSISDBHSA-N 1 1 295.386 3.276 20 30 CGEDMO C[N@H+]1CC[C@H](CSc2c(Cl)cccc2C#N)C1 ZINC000871691976 633827672 /nfs/dbraw/zinc/82/76/72/633827672.db2.gz CXEZKOPVRIAMBU-JTQLQIEISA-N 1 1 266.797 3.255 20 30 CGEDMO C#CC1CC[NH+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000830326585 633850391 /nfs/dbraw/zinc/85/03/91/633850391.db2.gz WEFHSWMBQXFDRR-UHFFFAOYSA-N 1 1 278.739 3.093 20 30 CGEDMO C#CC1CC[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000830343065 633853448 /nfs/dbraw/zinc/85/34/48/633853448.db2.gz LENXCGOUCRJHFB-UHFFFAOYSA-N 1 1 278.739 3.093 20 30 CGEDMO C[C@@]12C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000831005378 633910217 /nfs/dbraw/zinc/91/02/17/633910217.db2.gz JSLXMYKXMVVCBS-JFRXWTBNSA-N 1 1 294.398 3.233 20 30 CGEDMO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872082600 634006992 /nfs/dbraw/zinc/00/69/92/634006992.db2.gz YAYQFBADOZHRDR-GARJFASQSA-N 1 1 277.299 3.077 20 30 CGEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2ccccc2CC)no1 ZINC000872173945 634078067 /nfs/dbraw/zinc/07/80/67/634078067.db2.gz YBESXZLWYCJZSA-LBPRGKRZSA-N 1 1 277.755 3.441 20 30 CGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc([C@@H](C)c2cccs2)no1 ZINC000872176849 634079485 /nfs/dbraw/zinc/07/94/85/634079485.db2.gz YZZMOJIDGWQTHW-DTWKUNHWSA-N 1 1 283.784 3.425 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)[C@@H]1C(C)C ZINC000834387244 634159536 /nfs/dbraw/zinc/15/95/36/634159536.db2.gz DLLCWGNDBFXVPC-RCCFBDPRSA-N 1 1 286.419 3.204 20 30 CGEDMO Cc1cc(O)c(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)cc1C ZINC000872680378 634186430 /nfs/dbraw/zinc/18/64/30/634186430.db2.gz HAOIPZUFTBOJOH-DZGCQCFKSA-N 1 1 258.365 3.133 20 30 CGEDMO C=CCOc1cccc(C[NH2+][C@H](C)c2nccnc2C)c1 ZINC000873188515 634276094 /nfs/dbraw/zinc/27/60/94/634276094.db2.gz JGLKWWVDRVEMTD-CQSZACIVSA-N 1 1 283.375 3.201 20 30 CGEDMO C#CC[N@@H+]1CCCC[C@H]1CCc1ccc(OC)c(OC)c1 ZINC000101908379 634341675 /nfs/dbraw/zinc/34/16/75/634341675.db2.gz WUBAUUMAVYIIEU-INIZCTEOSA-N 1 1 287.403 3.124 20 30 CGEDMO C#Cc1ccc(C[N@H+](Cc2cnn(C)c2)CC(C)C)cc1 ZINC000835077470 634346426 /nfs/dbraw/zinc/34/64/26/634346426.db2.gz UCAJWVKUOPNCEN-UHFFFAOYSA-N 1 1 281.403 3.060 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C#CC3CC3)cc2)C1 ZINC000837348967 634893521 /nfs/dbraw/zinc/89/35/21/634893521.db2.gz JBJCITYAIQUJCX-HNNXBMFYSA-N 1 1 296.414 3.270 20 30 CGEDMO CC[C@@H]([NH2+]Cc1cccc(C#N)n1)c1ccccc1OC ZINC000876927830 634929879 /nfs/dbraw/zinc/92/98/79/634929879.db2.gz NBZJRSAMRHVQDU-MRXNPFEDSA-N 1 1 281.359 3.203 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@@H]1COC(=O)c1ccc(C#N)s1 ZINC000837561624 634934290 /nfs/dbraw/zinc/93/42/90/634934290.db2.gz QJNOSVRQJRTPTQ-GFCCVEGCSA-N 1 1 292.404 3.039 20 30 CGEDMO C#CCCCCCC[NH2+]C1CCN(CCCC)CC1 ZINC000876975453 634942104 /nfs/dbraw/zinc/94/21/04/634942104.db2.gz HGCBEGPYZNBYMX-UHFFFAOYSA-N 1 1 264.457 3.424 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000877315977 635024932 /nfs/dbraw/zinc/02/49/32/635024932.db2.gz YWWDRJGRNAZUSC-INIZCTEOSA-N 1 1 279.424 3.045 20 30 CGEDMO C#CCCCCCC[N@@H+]1C[C@@H](N2CCCC2)C[C@H]1C ZINC000877517649 635068725 /nfs/dbraw/zinc/06/87/25/635068725.db2.gz NXYHXUQHFCSTEE-SJORKVTESA-N 1 1 262.441 3.129 20 30 CGEDMO C#CCCCCCCN1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000877517649 635068731 /nfs/dbraw/zinc/06/87/31/635068731.db2.gz NXYHXUQHFCSTEE-SJORKVTESA-N 1 1 262.441 3.129 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(OC(=O)CC)c(OCC)c1 ZINC000840937617 635086053 /nfs/dbraw/zinc/08/60/53/635086053.db2.gz KSYYOYVFRRNRNZ-UHFFFAOYSA-N 1 1 277.364 3.019 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(OC(=O)CC)c(OCC)c1 ZINC000840938453 635086167 /nfs/dbraw/zinc/08/61/67/635086167.db2.gz FEEYDOKIPKMTDU-UHFFFAOYSA-N 1 1 291.391 3.409 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000877563720 635091730 /nfs/dbraw/zinc/09/17/30/635091730.db2.gz OPGZLNOCYNLNPP-BRWVUGGUSA-N 1 1 263.425 3.196 20 30 CGEDMO N#Cc1cnc(Cl)c(C[NH2+][C@H]2CCc3ccc(O)cc32)c1 ZINC000877631458 635122552 /nfs/dbraw/zinc/12/25/52/635122552.db2.gz JSPXMCPWVNETFU-HNNXBMFYSA-N 1 1 299.761 3.089 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000877640062 635127169 /nfs/dbraw/zinc/12/71/69/635127169.db2.gz TZFOVKGCOZEADX-CYBMUJFWSA-N 1 1 277.330 3.223 20 30 CGEDMO C#CCCCCCC[N@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000877640062 635127173 /nfs/dbraw/zinc/12/71/73/635127173.db2.gz TZFOVKGCOZEADX-CYBMUJFWSA-N 1 1 277.330 3.223 20 30 CGEDMO C#CCCCCCC[N@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000877821210 635224822 /nfs/dbraw/zinc/22/48/22/635224822.db2.gz LYTWFZUAZMTYMB-CYBMUJFWSA-N 1 1 277.330 3.223 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CC[C@@H](C(F)(F)F)O1 ZINC000877823776 635229107 /nfs/dbraw/zinc/22/91/07/635229107.db2.gz NCJAVZOHVIRNLZ-RISCZKNCSA-N 1 1 298.308 3.100 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC[C@@H](C(F)(F)F)O1 ZINC000877823776 635229112 /nfs/dbraw/zinc/22/91/12/635229112.db2.gz NCJAVZOHVIRNLZ-RISCZKNCSA-N 1 1 298.308 3.100 20 30 CGEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)[C@H](C)C1CC1)c1ccccc1 ZINC000877930159 635274599 /nfs/dbraw/zinc/27/45/99/635274599.db2.gz XKCOXUNWMOCLOC-KDOFPFPSSA-N 1 1 284.403 3.157 20 30 CGEDMO C#CCCCCC[N@H+](CC)Cc1nc2ccccc2c(=O)[nH]1 ZINC000877945082 635283925 /nfs/dbraw/zinc/28/39/25/635283925.db2.gz ZCQDYFHEDTUUSC-UHFFFAOYSA-N 1 1 297.402 3.351 20 30 CGEDMO C=CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000877961508 635290946 /nfs/dbraw/zinc/29/09/46/635290946.db2.gz RQXNUGHPTPKKBA-OLZOCXBDSA-N 1 1 265.378 3.003 20 30 CGEDMO C=CC[C@@H](C(=O)OC)[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000877961508 635290950 /nfs/dbraw/zinc/29/09/50/635290950.db2.gz RQXNUGHPTPKKBA-OLZOCXBDSA-N 1 1 265.378 3.003 20 30 CGEDMO COCCCC[N@@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000842171936 635304488 /nfs/dbraw/zinc/30/44/88/635304488.db2.gz DEZRJDXXXJZWHX-UHFFFAOYSA-N 1 1 296.798 3.101 20 30 CGEDMO N#CCC[N@H+](CC[C@H]1CCCC1(F)F)CC1CC1 ZINC000878159759 635385000 /nfs/dbraw/zinc/38/50/00/635385000.db2.gz UEVONTDHBLLOJC-CYBMUJFWSA-N 1 1 256.340 3.438 20 30 CGEDMO C[C@@H]1C(=NNC23CC(C2)C3)CCC[N@H+]1Cc1ccccc1 ZINC000842544632 635398076 /nfs/dbraw/zinc/39/80/76/635398076.db2.gz WIMVUBALYHLFHX-MXWWQKGMSA-N 1 1 283.419 3.169 20 30 CGEDMO C[C@@H]1C(=NNC23CC(C2)C3)CCC[N@@H+]1Cc1ccccc1 ZINC000842544632 635398083 /nfs/dbraw/zinc/39/80/83/635398083.db2.gz WIMVUBALYHLFHX-MXWWQKGMSA-N 1 1 283.419 3.169 20 30 CGEDMO C#CCCCCC[N@@H+]1CCC[C@@H]1c1cn(C)nc1C ZINC000878191892 635406271 /nfs/dbraw/zinc/40/62/71/635406271.db2.gz RRSXGWGLRZCYEE-MRXNPFEDSA-N 1 1 259.397 3.059 20 30 CGEDMO C#CCCCCC[N@@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000878281301 635443298 /nfs/dbraw/zinc/44/32/98/635443298.db2.gz ZGGRKAOMYFYJNG-INIZCTEOSA-N 1 1 288.439 3.232 20 30 CGEDMO C#CCCCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000878285573 635444501 /nfs/dbraw/zinc/44/45/01/635444501.db2.gz CFQPWWWPWZTEAP-AEFFLSMTSA-N 1 1 274.452 3.129 20 30 CGEDMO C#CCCCCC[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000878285573 635444512 /nfs/dbraw/zinc/44/45/12/635444512.db2.gz CFQPWWWPWZTEAP-AEFFLSMTSA-N 1 1 274.452 3.129 20 30 CGEDMO CC(C)[C@@H](O)CC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000878334124 635462556 /nfs/dbraw/zinc/46/25/56/635462556.db2.gz OUKOEFNKFYNDTO-SFHVURJKSA-N 1 1 284.403 3.054 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)OC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000842834232 635488928 /nfs/dbraw/zinc/48/89/28/635488928.db2.gz RXTGYJMQRRITCF-HUUCEWRRSA-N 1 1 267.413 3.252 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000878795623 635630790 /nfs/dbraw/zinc/63/07/90/635630790.db2.gz SYVZHKVGKGXPEG-ZDUSSCGKSA-N 1 1 293.411 3.038 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2nc3c(o2)CCCC3)C1 ZINC000878915179 635656294 /nfs/dbraw/zinc/65/62/94/635656294.db2.gz PZWSZTJEPCSFAC-CYBMUJFWSA-N 1 1 260.381 3.342 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000843423703 635668289 /nfs/dbraw/zinc/66/82/89/635668289.db2.gz IQISYJRBFIFKSE-LLVKDONJSA-N 1 1 267.294 3.339 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000843423703 635668294 /nfs/dbraw/zinc/66/82/94/635668294.db2.gz IQISYJRBFIFKSE-LLVKDONJSA-N 1 1 267.294 3.339 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2C)C1 ZINC000843423706 635668604 /nfs/dbraw/zinc/66/86/04/635668604.db2.gz IQPFYUITDKSRCM-HNNXBMFYSA-N 1 1 287.403 3.248 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000843424135 635668947 /nfs/dbraw/zinc/66/89/47/635668947.db2.gz OYCFWCQSAJGESJ-HOTGVXAUSA-N 1 1 269.388 3.288 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC3CC2(c2ccccc2)C3)o1 ZINC000879005182 635679091 /nfs/dbraw/zinc/67/90/91/635679091.db2.gz OEUPPNIAZFOYPT-UHFFFAOYSA-N 1 1 264.328 3.272 20 30 CGEDMO C=C(Br)C[N@H+]1CCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000879243721 635732829 /nfs/dbraw/zinc/73/28/29/635732829.db2.gz WSJVROJYRVNZML-KGLIPLIRSA-N 1 1 296.208 3.093 20 30 CGEDMO C=C(Br)C[N@@H+]1CCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000879243721 635732832 /nfs/dbraw/zinc/73/28/32/635732832.db2.gz WSJVROJYRVNZML-KGLIPLIRSA-N 1 1 296.208 3.093 20 30 CGEDMO C[N@@H+](CCCC1CCCC1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844370026 635883111 /nfs/dbraw/zinc/88/31/11/635883111.db2.gz PLYABSSQFSUMHK-GOSISDBHSA-N 1 1 286.419 3.494 20 30 CGEDMO C[N@@H+](CCCC(C)(C)C)C[C@H](O)c1cccc(C#N)c1 ZINC000844372146 635883731 /nfs/dbraw/zinc/88/37/31/635883731.db2.gz VMSHSKHNBKCJPR-INIZCTEOSA-N 1 1 274.408 3.350 20 30 CGEDMO CCCCCCCC[N@@H+]1CCn2c(CC3CC3)nnc2C1 ZINC000844381160 635886021 /nfs/dbraw/zinc/88/60/21/635886021.db2.gz DNLFNEODNNDQEF-UHFFFAOYSA-N 1 1 290.455 3.407 20 30 CGEDMO CCCCCCCC[N@H+]1CCn2c(CC3CC3)nnc2C1 ZINC000844381160 635886023 /nfs/dbraw/zinc/88/60/23/635886023.db2.gz DNLFNEODNNDQEF-UHFFFAOYSA-N 1 1 290.455 3.407 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000880002605 635894952 /nfs/dbraw/zinc/89/49/52/635894952.db2.gz MKZYLKAYZMDMKD-AWEZNQCLSA-N 1 1 298.308 3.341 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@]3(CC3(F)F)C2)ccc1F ZINC000844437952 635901369 /nfs/dbraw/zinc/90/13/69/635901369.db2.gz MKUZNDYWFIFOTJ-CQSZACIVSA-N 1 1 280.293 3.319 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844436739 635901469 /nfs/dbraw/zinc/90/14/69/635901469.db2.gz QYVOBBKZTMUOFY-AWEZNQCLSA-N 1 1 262.303 3.179 20 30 CGEDMO C#CCC[N@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000844473238 635913121 /nfs/dbraw/zinc/91/31/21/635913121.db2.gz WNTZMKDBHCOCOV-ULQDDVLXSA-N 1 1 255.361 3.004 20 30 CGEDMO COC(=O)[C@]12CCC[C@H]1[N@@H+](CCCCC(C)(C)C#N)CC2 ZINC000880183179 635929925 /nfs/dbraw/zinc/92/99/25/635929925.db2.gz NPSKFRSQHMMFBR-PBHICJAKSA-N 1 1 292.423 3.124 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000880188678 635931123 /nfs/dbraw/zinc/93/11/23/635931123.db2.gz OHUZHCJGISRARQ-OALUTQOASA-N 1 1 289.382 3.021 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000880188678 635931129 /nfs/dbraw/zinc/93/11/29/635931129.db2.gz OHUZHCJGISRARQ-OALUTQOASA-N 1 1 289.382 3.021 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)s1 ZINC000880189016 635931525 /nfs/dbraw/zinc/93/15/25/635931525.db2.gz WEWMRGGOTBQUHA-GJZGRUSLSA-N 1 1 295.411 3.083 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3c2ccccc2)s1 ZINC000880189016 635931531 /nfs/dbraw/zinc/93/15/31/635931531.db2.gz WEWMRGGOTBQUHA-GJZGRUSLSA-N 1 1 295.411 3.083 20 30 CGEDMO C=CCCC[C@@H]([NH2+]Cc1cnn(C)n1)c1ccccc1 ZINC000880390259 635992378 /nfs/dbraw/zinc/99/23/78/635992378.db2.gz PTNSHICRQSZBBZ-MRXNPFEDSA-N 1 1 270.380 3.002 20 30 CGEDMO C=CCCCCN1CC[NH+](CCCOC(C)(C)C)CC1 ZINC000880415724 635998059 /nfs/dbraw/zinc/99/80/59/635998059.db2.gz XEFKJZOOQIKRJQ-UHFFFAOYSA-N 1 1 282.472 3.166 20 30 CGEDMO CC[N@H+](Cc1cc(C#N)ccc1F)[C@H](CO)c1ccccc1 ZINC000880460054 636004697 /nfs/dbraw/zinc/00/46/97/636004697.db2.gz OOHAVNFVMATNHE-GOSISDBHSA-N 1 1 298.361 3.253 20 30 CGEDMO CC[N@@H+](Cc1cc(C#N)ccc1F)[C@H](CO)c1ccccc1 ZINC000880460054 636004699 /nfs/dbraw/zinc/00/46/99/636004699.db2.gz OOHAVNFVMATNHE-GOSISDBHSA-N 1 1 298.361 3.253 20 30 CGEDMO C=CCCCCC[NH+]1CCC(C)(N2CCC2)CC1 ZINC000880473951 636007225 /nfs/dbraw/zinc/00/72/25/636007225.db2.gz QWPKJSRAVWNQOF-UHFFFAOYSA-N 1 1 250.430 3.293 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+]1CCC[C@@H](OC(C)C)C1 ZINC000846014370 636130102 /nfs/dbraw/zinc/13/01/02/636130102.db2.gz IXZSCKAIXIRSSX-QGZVFWFLSA-N 1 1 287.403 3.088 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@@](C)(CC)c2ccccc2)nn1 ZINC000846843799 636257432 /nfs/dbraw/zinc/25/74/32/636257432.db2.gz HFFWILOOGYGPTA-KRWDZBQOSA-N 1 1 284.407 3.269 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2nnc(-c3ccccc3)s2)C1 ZINC000847022853 636314308 /nfs/dbraw/zinc/31/43/08/636314308.db2.gz YNEROSMWJVAAFI-ZDUSSCGKSA-N 1 1 283.400 3.050 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3)s2)C1 ZINC000847022853 636314312 /nfs/dbraw/zinc/31/43/12/636314312.db2.gz YNEROSMWJVAAFI-ZDUSSCGKSA-N 1 1 283.400 3.050 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000847031827 636318563 /nfs/dbraw/zinc/31/85/63/636318563.db2.gz UYAMVQICHZGZQZ-LBPRGKRZSA-N 1 1 272.373 3.248 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cc(-c3cccs3)on2)C1 ZINC000847031827 636318571 /nfs/dbraw/zinc/31/85/71/636318571.db2.gz UYAMVQICHZGZQZ-LBPRGKRZSA-N 1 1 272.373 3.248 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](CC(=O)c2c(C)[nH]c3ccccc32)C1 ZINC000847033509 636319722 /nfs/dbraw/zinc/31/97/22/636319722.db2.gz XWPOYYIGKMFLKU-AWEZNQCLSA-N 1 1 280.371 3.004 20 30 CGEDMO C#C[C@H]1CCC[N@H+](CC(=O)c2c(C)[nH]c3ccccc32)C1 ZINC000847033509 636319726 /nfs/dbraw/zinc/31/97/26/636319726.db2.gz XWPOYYIGKMFLKU-AWEZNQCLSA-N 1 1 280.371 3.004 20 30 CGEDMO C=CC[C@H]([NH2+]Cc1nc(C(C)C)c[nH]1)c1ccncc1 ZINC000883003642 636502547 /nfs/dbraw/zinc/50/25/47/636502547.db2.gz YWCVAIMJGZIEAJ-AWEZNQCLSA-N 1 1 270.380 3.335 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000131105265 636557348 /nfs/dbraw/zinc/55/73/48/636557348.db2.gz JYBDDUZTJQLDTJ-AWEZNQCLSA-N 1 1 269.344 3.485 20 30 CGEDMO C#CCOc1ccccc1C[N@H+](C)[C@@H](C)c1ccco1 ZINC000131105265 636557351 /nfs/dbraw/zinc/55/73/51/636557351.db2.gz JYBDDUZTJQLDTJ-AWEZNQCLSA-N 1 1 269.344 3.485 20 30 CGEDMO C=CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CCc2cn[nH]c2C1 ZINC000883197613 636579999 /nfs/dbraw/zinc/57/99/99/636579999.db2.gz PKLMMNGMTABEDF-MSOLQXFVSA-N 1 1 295.430 3.434 20 30 CGEDMO C=CC[C@@H]([NH2+][C@@H]1CCCn2ccnc21)c1ccncc1 ZINC000848531122 636590965 /nfs/dbraw/zinc/59/09/65/636590965.db2.gz MOORSIDOUIOZIR-HUUCEWRRSA-N 1 1 268.364 3.020 20 30 CGEDMO C[C@H](c1noc([C@H]([NH3+])CCCCC#N)n1)C(C)(C)C ZINC000848623117 636622016 /nfs/dbraw/zinc/62/20/16/636622016.db2.gz FJWMROAQFGOTSQ-GHMZBOCLSA-N 1 1 264.373 3.303 20 30 CGEDMO Cc1ccc(-c2noc([C@H]([NH3+])CCCCC#N)n2)s1 ZINC000848630339 636624099 /nfs/dbraw/zinc/62/40/99/636624099.db2.gz LEJMEDJOVKYDPJ-SNVBAGLBSA-N 1 1 276.365 3.190 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cccc(CC)c2O)C1 ZINC000848920077 636691151 /nfs/dbraw/zinc/69/11/51/636691151.db2.gz WZCNASKMUUNHNX-CQSZACIVSA-N 1 1 257.377 3.190 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2nc3ccc(F)cc3s2)C1 ZINC000848923211 636693591 /nfs/dbraw/zinc/69/35/91/636693591.db2.gz BJUDGAABRLLQJK-LLVKDONJSA-N 1 1 274.364 3.281 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2nc3ccc(F)cc3s2)C1 ZINC000848923211 636693595 /nfs/dbraw/zinc/69/35/95/636693595.db2.gz BJUDGAABRLLQJK-LLVKDONJSA-N 1 1 274.364 3.281 20 30 CGEDMO C#C[C@H]1CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000848923157 636693611 /nfs/dbraw/zinc/69/36/11/636693611.db2.gz ACNBVCXDWHHKPE-LTBFUDJGSA-N 1 1 284.359 3.343 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc3nc(C)sc3c2)C1 ZINC000848924709 636697007 /nfs/dbraw/zinc/69/70/07/636697007.db2.gz YKMVJBCRLIDSEZ-CYBMUJFWSA-N 1 1 270.401 3.450 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cn(-c3ccc(C)cc3)nc2C)C1 ZINC000848924706 636698140 /nfs/dbraw/zinc/69/81/40/636698140.db2.gz YJGFFSULJOIBNK-QGZVFWFLSA-N 1 1 293.414 3.334 20 30 CGEDMO C=C(C)C[C@@H](CO)[NH2+][C@H](CCc1ccccc1)C(F)F ZINC000883390693 636734069 /nfs/dbraw/zinc/73/40/69/636734069.db2.gz RNNPRDFISIGVEP-LSDHHAIUSA-N 1 1 283.362 3.170 20 30 CGEDMO CCCCCCCC(=O)N1CC[NH2+]Cc2ccccc21 ZINC000109021173 636919382 /nfs/dbraw/zinc/91/93/82/636919382.db2.gz KLSFTWGNMPWXBK-UHFFFAOYSA-N 1 1 274.408 3.483 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1cccc(OC2CC2)c1F ZINC000850142717 636966301 /nfs/dbraw/zinc/96/63/01/636966301.db2.gz BBAVASBMXIOICN-UHFFFAOYSA-N 1 1 255.720 3.209 20 30 CGEDMO CC(C)CC[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000109274807 637020073 /nfs/dbraw/zinc/02/00/73/637020073.db2.gz PKUZMHRSLCBRHX-KRWDZBQOSA-N 1 1 272.392 3.102 20 30 CGEDMO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@](C)(O)C(F)F ZINC000885931734 637318755 /nfs/dbraw/zinc/31/87/55/637318755.db2.gz YDGSXAMLIFMIOO-LBPRGKRZSA-N 1 1 295.782 3.406 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@](C)(O)C(F)F ZINC000885931734 637318763 /nfs/dbraw/zinc/31/87/63/637318763.db2.gz YDGSXAMLIFMIOO-LBPRGKRZSA-N 1 1 295.782 3.406 20 30 CGEDMO CC(C)[C@@H]1CCC[N@@H+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000886012809 637361681 /nfs/dbraw/zinc/36/16/81/637361681.db2.gz OXQLDZWYLWOREQ-HZPDHXFCSA-N 1 1 278.440 3.189 20 30 CGEDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886020977 637369452 /nfs/dbraw/zinc/36/94/52/637369452.db2.gz LNNAOUBFOXFIJF-FXUDXRNXSA-N 1 1 276.424 3.084 20 30 CGEDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886020980 637369527 /nfs/dbraw/zinc/36/95/27/637369527.db2.gz LNNAOUBFOXFIJF-UGUYLWEFSA-N 1 1 276.424 3.084 20 30 CGEDMO C[C@@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCC2)CCc2ccccc21 ZINC000886267479 637473275 /nfs/dbraw/zinc/47/32/75/637473275.db2.gz NSAUUTBHBHCVOB-WBVHZDCISA-N 1 1 298.430 3.093 20 30 CGEDMO CCC1(CC)CCC[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886281326 637482563 /nfs/dbraw/zinc/48/25/63/637482563.db2.gz WJRQEADRNKVVRT-OAHLLOKOSA-N 1 1 278.440 3.333 20 30 CGEDMO CC[N@@H+](C[C@H]1COC(C)(C)O1)[C@H](C)c1ccc(C#N)cc1 ZINC000851736905 637485310 /nfs/dbraw/zinc/48/53/10/637485310.db2.gz XJSDKJCOWJKGCE-CJNGLKHVSA-N 1 1 288.391 3.093 20 30 CGEDMO C#CCOCC[N@@H+]1CCCCC[C@@H]1c1ccc(C)o1 ZINC000851778654 637498967 /nfs/dbraw/zinc/49/89/67/637498967.db2.gz LKOKWRHVHXOZET-OAHLLOKOSA-N 1 1 261.365 3.155 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000886360615 637512941 /nfs/dbraw/zinc/51/29/41/637512941.db2.gz YNZOWEGITUQSOY-HNNXBMFYSA-N 1 1 266.388 3.333 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(=O)oc3cc(C)c(C)cc23)C1 ZINC000886360348 637513374 /nfs/dbraw/zinc/51/33/74/637513374.db2.gz UWRRQMWYFRGCLL-OAHLLOKOSA-N 1 1 295.382 3.255 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2nc3c(cccc3F)n2CC)C1 ZINC000886362549 637513943 /nfs/dbraw/zinc/51/39/43/637513943.db2.gz BVOBQYFNZJQAAS-ZDUSSCGKSA-N 1 1 285.366 3.041 20 30 CGEDMO CC[N@@H+](CCc1ccc(C#N)cc1)CCc1ccccn1 ZINC000851824658 637515340 /nfs/dbraw/zinc/51/53/40/637515340.db2.gz KCQINBYAJUKBMY-UHFFFAOYSA-N 1 1 279.387 3.060 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2oc(-c3ccccc3)nc2C)C1 ZINC000886365683 637516060 /nfs/dbraw/zinc/51/60/60/637516060.db2.gz NQTBOICYOOAPPK-HNNXBMFYSA-N 1 1 280.371 3.495 20 30 CGEDMO Cc1ccccc1[C@H](CO)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000886433765 637531510 /nfs/dbraw/zinc/53/15/10/637531510.db2.gz TXYFAIUIVSRXDR-SFHVURJKSA-N 1 1 298.361 3.171 20 30 CGEDMO C#CC[C@@H]([NH2+]Cc1conc1CC)c1ccccc1 ZINC000851901157 637537193 /nfs/dbraw/zinc/53/71/93/637537193.db2.gz JUVIWZKQUVMNHP-MRXNPFEDSA-N 1 1 254.333 3.091 20 30 CGEDMO C#CCOCC[N@@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000851940068 637555509 /nfs/dbraw/zinc/55/55/09/637555509.db2.gz MOUJQCDAUGYOBH-CQSZACIVSA-N 1 1 297.320 3.145 20 30 CGEDMO C=CC[C@H]1[N@H+](C[C@@H](O)c2ccccn2)CCCC1(C)C ZINC000851990300 637564715 /nfs/dbraw/zinc/56/47/15/637564715.db2.gz QKPJHHGPTKSMQA-HZPDHXFCSA-N 1 1 274.408 3.182 20 30 CGEDMO C=CC[C@@H]1[N@H+](C[C@@H](O)c2ccccn2)CCCC1(C)C ZINC000851990298 637565421 /nfs/dbraw/zinc/56/54/21/637565421.db2.gz QKPJHHGPTKSMQA-CVEARBPZSA-N 1 1 274.408 3.182 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+][C@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000852098481 637592899 /nfs/dbraw/zinc/59/28/99/637592899.db2.gz OISOJINCMRRCEK-DYVFJYSZSA-N 1 1 283.375 3.498 20 30 CGEDMO C#C[C@](C)(CC)[NH2+]Cc1ncc(-c2ccc(OC)cc2)o1 ZINC000852100610 637593854 /nfs/dbraw/zinc/59/38/54/637593854.db2.gz YTGFTYVFOJHRKJ-QGZVFWFLSA-N 1 1 284.359 3.242 20 30 CGEDMO C#C[C@](C)(CC)[NH2+]Cc1csc(-c2ccco2)n1 ZINC000852099620 637594331 /nfs/dbraw/zinc/59/43/31/637594331.db2.gz NPZCDRIGLMBZSB-CQSZACIVSA-N 1 1 260.362 3.295 20 30 CGEDMO C#CCCC[N@@H+](Cc1ccccc1)[C@@H]1COC(C)(C)C1 ZINC000852342914 637638852 /nfs/dbraw/zinc/63/88/52/637638852.db2.gz NJGYTGLDGNUUFC-KRWDZBQOSA-N 1 1 271.404 3.470 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(C)cc2)C1 ZINC000852410128 637646981 /nfs/dbraw/zinc/64/69/81/637646981.db2.gz IRZQKWQZHOWHJY-NVXWUHKLSA-N 1 1 259.393 3.317 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000852410198 637647867 /nfs/dbraw/zinc/64/78/67/637647867.db2.gz JPSKUWNPYSUUEW-BBRMVZONSA-N 1 1 263.356 3.147 20 30 CGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CC[C@H](C3CCCCC3)C2)cc1 ZINC000852488804 637661761 /nfs/dbraw/zinc/66/17/61/637661761.db2.gz AVGRFHFIYHZQRX-OALUTQOASA-N 1 1 298.430 3.494 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)c1ccccc1F ZINC000852686518 637695375 /nfs/dbraw/zinc/69/53/75/637695375.db2.gz WKSFERIYKGNZRN-ZENOOKHLSA-N 1 1 261.340 3.042 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@](C)(O)c1ccccc1 ZINC000852686338 637695569 /nfs/dbraw/zinc/69/55/69/637695569.db2.gz RWPUZNWKKUYOPK-BBWFWOEESA-N 1 1 257.377 3.077 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H](O)c1ccccc1 ZINC000852688320 637697058 /nfs/dbraw/zinc/69/70/58/637697058.db2.gz SJKVOPOUFAZNTB-IXDOHACOSA-N 1 1 257.377 3.293 20 30 CGEDMO Clc1ccccc1C#CC[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886816210 637703207 /nfs/dbraw/zinc/70/32/07/637703207.db2.gz PIJYCMJGRDLLMD-DOTOQJQBSA-N 1 1 289.806 3.192 20 30 CGEDMO Oc1ccccc1/C=N\C[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000852998634 637727844 /nfs/dbraw/zinc/72/78/44/637727844.db2.gz QHSWPXRSCWGFQE-UEXNTNOUSA-N 1 1 280.371 3.086 20 30 CGEDMO C#Cc1cccnc1NCCC[N@H+](C)C1CCCCC1 ZINC000853136341 637771883 /nfs/dbraw/zinc/77/18/83/637771883.db2.gz CSRAIBCCLTUOOJ-UHFFFAOYSA-N 1 1 271.408 3.129 20 30 CGEDMO C=CC[N@@H+](Cc1cc(C)cc(C)c1O)[C@H](C)COC ZINC000853532676 637862582 /nfs/dbraw/zinc/86/25/82/637862582.db2.gz JQODLCDRLCZZHR-CQSZACIVSA-N 1 1 263.381 3.032 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000853599061 637871151 /nfs/dbraw/zinc/87/11/51/637871151.db2.gz JXCVHAUMMZHXBP-OKILXGFUSA-N 1 1 298.346 3.085 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1CC(CC)(CC)OC1=O ZINC000853598619 637871474 /nfs/dbraw/zinc/87/14/74/637871474.db2.gz UFWMHTMUAQEDDD-OKILXGFUSA-N 1 1 278.396 3.138 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCOC3(CCC3)C2)CCC1 ZINC000930145409 638228392 /nfs/dbraw/zinc/22/83/92/638228392.db2.gz ZWBRGHCXEIHVID-UHFFFAOYSA-N 1 1 262.397 3.105 20 30 CGEDMO CC[C@H]1CCCC[N@@H+]1CCN[C@H](C)CC(C)(C)C#N ZINC000925052197 638443484 /nfs/dbraw/zinc/44/34/84/638443484.db2.gz PHGCKMATQWCTNW-CABCVRRESA-N 1 1 265.445 3.169 20 30 CGEDMO CC[C@H]1CCCC[N@H+]1CCN[C@H](C)CC(C)(C)C#N ZINC000925052197 638443491 /nfs/dbraw/zinc/44/34/91/638443491.db2.gz PHGCKMATQWCTNW-CABCVRRESA-N 1 1 265.445 3.169 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858017565 638619617 /nfs/dbraw/zinc/61/96/17/638619617.db2.gz QVDRXYBTPUOKHU-MRXNPFEDSA-N 1 1 272.392 3.378 20 30 CGEDMO N#CCCCC[N@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858017259 638620600 /nfs/dbraw/zinc/62/06/00/638620600.db2.gz WHQCJXJOZQJJIT-KRWDZBQOSA-N 1 1 299.418 3.496 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858049361 638621871 /nfs/dbraw/zinc/62/18/71/638621871.db2.gz ZMNYHFBXCYOKRH-INIZCTEOSA-N 1 1 299.418 3.352 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@H]2NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925847650 638632414 /nfs/dbraw/zinc/63/24/14/638632414.db2.gz XTUOJQYAAWXGEH-GUDVDZBRSA-N 1 1 295.430 3.057 20 30 CGEDMO C=CC[C@@H](CC)[NH2+]C1CCN(CCC(C)C)CC1 ZINC000926350263 638765087 /nfs/dbraw/zinc/76/50/87/638765087.db2.gz IUJPUPVILPNNHB-OAHLLOKOSA-N 1 1 252.446 3.441 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cn2c(n1)CCCC2 ZINC000926551023 638784472 /nfs/dbraw/zinc/78/44/72/638784472.db2.gz QESXAPZRYWYYLF-GFCCVEGCSA-N 1 1 298.365 3.081 20 30 CGEDMO C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000926634740 638792827 /nfs/dbraw/zinc/79/28/27/638792827.db2.gz ICSSLGFGMYGQLY-NXHRZFHOSA-N 1 1 299.462 3.250 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1ccnn1CC1CCC1 ZINC000926874325 638820090 /nfs/dbraw/zinc/82/00/90/638820090.db2.gz OVESMBXETNLTIO-CQSZACIVSA-N 1 1 286.423 3.418 20 30 CGEDMO C=CCn1ncc2ccc(N[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc21 ZINC000927068265 638837677 /nfs/dbraw/zinc/83/76/77/638837677.db2.gz UBCBTJSXHBAEME-BBRMVZONSA-N 1 1 284.407 3.117 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cncc(C#N)c1 ZINC000929270144 638913541 /nfs/dbraw/zinc/91/35/41/638913541.db2.gz NXQJXWNXCMQZNL-UHFFFAOYSA-N 1 1 290.370 3.237 20 30 CGEDMO C=CC[N@H+](C/C=C(/C)COC)Cc1ccc(OC)cc1 ZINC000929315608 638918131 /nfs/dbraw/zinc/91/81/31/638918131.db2.gz AVEFOZRDKJSFHK-GDNBJRDFSA-N 1 1 275.392 3.276 20 30 CGEDMO C[N@H+](Cc1cc(Cl)cc(C#N)c1)C[C@H]1CCCCO1 ZINC000929330833 638919188 /nfs/dbraw/zinc/91/91/88/638919188.db2.gz PCEAGFCMVXQTHT-OAHLLOKOSA-N 1 1 278.783 3.213 20 30 CGEDMO C[N@@H+](CCCCC1(C#N)CCC1)[C@H]1CCN(C2CC2)C1 ZINC000929624805 638935460 /nfs/dbraw/zinc/93/54/60/638935460.db2.gz UDVHDJXCIXHYAS-INIZCTEOSA-N 1 1 275.440 3.019 20 30 CGEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cncc(C#N)c2)C1 ZINC000929751356 638946823 /nfs/dbraw/zinc/94/68/23/638946823.db2.gz TVHOJXKUYYHHHV-HUUCEWRRSA-N 1 1 275.421 3.059 20 30 CGEDMO N#CC1CCC(C[N@H+](CCO)[C@@H]2CCc3ccccc32)CC1 ZINC000929796432 638952148 /nfs/dbraw/zinc/95/21/48/638952148.db2.gz BRAJPKWWXZUHDC-LADRWXRNSA-N 1 1 298.430 3.298 20 30 CGEDMO Cn1cc(Cl)cc1C[N@@H+](C)CC1CCC(C#N)CC1 ZINC000929823746 638954559 /nfs/dbraw/zinc/95/45/59/638954559.db2.gz HTQDIZZWCIESBF-UHFFFAOYSA-N 1 1 279.815 3.440 20 30 CGEDMO CCC[C@@H](C)[C@@H]1CCC[N@H+]1Cc1cncc(C#N)c1 ZINC000929855274 638957532 /nfs/dbraw/zinc/95/75/32/638957532.db2.gz QAVPZLVMJOWALT-CJNGLKHVSA-N 1 1 257.381 3.354 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+](C)C1CCC(CO)CC1 ZINC000930054479 638970963 /nfs/dbraw/zinc/97/09/63/638970963.db2.gz PQJVUUGTPDYKJS-UHFFFAOYSA-N 1 1 286.419 3.158 20 30 CGEDMO C[C@@]1(CCCO)CCC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000930160162 638978190 /nfs/dbraw/zinc/97/81/90/638978190.db2.gz KWXYKGBOMHSQTO-INIZCTEOSA-N 1 1 292.810 3.339 20 30 CGEDMO CC[C@@H](CSC)[N@@H+](C)CC1CCC(C#N)CC1 ZINC000930179244 638979596 /nfs/dbraw/zinc/97/95/96/638979596.db2.gz JICUJXLHPYFUDP-RUXDESIVSA-N 1 1 254.443 3.390 20 30 CGEDMO CC[C@@H]1C[N@H+](CCCCC2(C#N)CCC2)C[C@H](C)[S@@]1=O ZINC000930458563 639002391 /nfs/dbraw/zinc/00/23/91/639002391.db2.gz PUCDBMCMNLJGJD-MDOVXXIYSA-N 1 1 296.480 3.082 20 30 CGEDMO CC[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)C[C@H](C)[S@@]1=O ZINC000930458563 639002396 /nfs/dbraw/zinc/00/23/96/639002396.db2.gz PUCDBMCMNLJGJD-MDOVXXIYSA-N 1 1 296.480 3.082 20 30 CGEDMO C[C@H]1CN(C2CC2)CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000930587225 639032129 /nfs/dbraw/zinc/03/21/29/639032129.db2.gz IMIWEYRIPUGSKU-MRXNPFEDSA-N 1 1 289.467 3.267 20 30 CGEDMO C[C@@H]1CN(CCCCC2(C#N)CCC2)CC[N@@H+](C2CC2)C1 ZINC000930587225 639032136 /nfs/dbraw/zinc/03/21/36/639032136.db2.gz IMIWEYRIPUGSKU-MRXNPFEDSA-N 1 1 289.467 3.267 20 30 CGEDMO C[C@@H]1CN(CCCCC2(C#N)CCC2)CC[N@H+](C2CC2)C1 ZINC000930587225 639032142 /nfs/dbraw/zinc/03/21/42/639032142.db2.gz IMIWEYRIPUGSKU-MRXNPFEDSA-N 1 1 289.467 3.267 20 30 CGEDMO CCc1ccc2ccccc2c1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000930819035 639072557 /nfs/dbraw/zinc/07/25/57/639072557.db2.gz QWTBOJWVDOIMKS-LJQANCHMSA-N 1 1 294.398 3.253 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931313498 639133555 /nfs/dbraw/zinc/13/35/55/639133555.db2.gz CCOFJCNBIONFIB-IYBDPMFKSA-N 1 1 250.430 3.006 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](C[C@H](O)c2ccccc2Cl)C1 ZINC000859445541 639143315 /nfs/dbraw/zinc/14/33/15/639143315.db2.gz KLXGCNCGXREFNT-DOMZBBRYSA-N 1 1 265.784 3.271 20 30 CGEDMO CC1(C)CCC(C)(C)[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000859471357 639147882 /nfs/dbraw/zinc/14/78/82/639147882.db2.gz CDYCACNXPOKCMS-INIZCTEOSA-N 1 1 286.419 3.492 20 30 CGEDMO N#CC1CCC(C[N@H+]2CC[C@@H](c3nccs3)C2)CC1 ZINC000931688346 639188701 /nfs/dbraw/zinc/18/87/01/639188701.db2.gz KHGLFWCTMWTBPF-JXQTWKCFSA-N 1 1 275.421 3.262 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](C2CC(OCc3ccccc3)C2)C1 ZINC000931713905 639195400 /nfs/dbraw/zinc/19/54/00/639195400.db2.gz BOAZRLHUQQXKPH-FAEJEUNOSA-N 1 1 269.388 3.079 20 30 CGEDMO C=CCCCC[N@@H+](C)Cc1ncc(Br)cn1 ZINC000931865366 639221175 /nfs/dbraw/zinc/22/11/75/639221175.db2.gz MSYMIHHYXAJOQV-UHFFFAOYSA-N 1 1 284.201 3.027 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ncc(Br)cn1 ZINC000931865366 639221178 /nfs/dbraw/zinc/22/11/78/639221178.db2.gz MSYMIHHYXAJOQV-UHFFFAOYSA-N 1 1 284.201 3.027 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931911304 639227652 /nfs/dbraw/zinc/22/76/52/639227652.db2.gz WRCYALJVWUVAKX-MRVPVSSYSA-N 1 1 257.658 3.105 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931911304 639227665 /nfs/dbraw/zinc/22/76/65/639227665.db2.gz WRCYALJVWUVAKX-MRVPVSSYSA-N 1 1 257.658 3.105 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1Cc2ccccc2OC2(CCOCC2)C1 ZINC000932041617 639254910 /nfs/dbraw/zinc/25/49/10/639254910.db2.gz GUNFIXUZTCEBSO-INIZCTEOSA-N 1 1 299.414 3.232 20 30 CGEDMO C#CCC[N@H+]([C@H](C)COC)[C@H]1CCc2ccccc21 ZINC000860111654 639284353 /nfs/dbraw/zinc/28/43/53/639284353.db2.gz OVHIRXFZHVKBTB-PBHICJAKSA-N 1 1 257.377 3.034 20 30 CGEDMO C=C(Br)C[N@H+]1CCC[C@H]1COC(C)(C)C ZINC000932170799 639286638 /nfs/dbraw/zinc/28/66/38/639286638.db2.gz BRFHKJWSKUICQA-NSHDSACASA-N 1 1 276.218 3.175 20 30 CGEDMO C=C(Br)C[N@@H+]1CCC[C@H]1COC(C)(C)C ZINC000932170799 639286649 /nfs/dbraw/zinc/28/66/49/639286649.db2.gz BRFHKJWSKUICQA-NSHDSACASA-N 1 1 276.218 3.175 20 30 CGEDMO C[C@]1(Cc2cccs2)CCC[N@H+]1CCOCCC#N ZINC000932925178 639401087 /nfs/dbraw/zinc/40/10/87/639401087.db2.gz AHMDNYWLVNGLBJ-OAHLLOKOSA-N 1 1 278.421 3.075 20 30 CGEDMO COc1ccc([C@@H](C)[NH2+]Cc2ccncc2C#N)cc1C ZINC000933483734 639451612 /nfs/dbraw/zinc/45/16/12/639451612.db2.gz IZMNTPNGJBRZCD-CYBMUJFWSA-N 1 1 281.359 3.121 20 30 CGEDMO CC(C)SCC[N@@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933628015 639470368 /nfs/dbraw/zinc/47/03/68/639470368.db2.gz INBTZTPUOXVHFI-INIZCTEOSA-N 1 1 290.432 3.073 20 30 CGEDMO CC(C)SCC[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933628015 639470371 /nfs/dbraw/zinc/47/03/71/639470371.db2.gz INBTZTPUOXVHFI-INIZCTEOSA-N 1 1 290.432 3.073 20 30 CGEDMO Cc1cccc(C)c1C[N@@H+](C)Cc1cncc(C#N)c1 ZINC000933763397 639486636 /nfs/dbraw/zinc/48/66/36/639486636.db2.gz VTRSOLOSJJIVGL-UHFFFAOYSA-N 1 1 265.360 3.202 20 30 CGEDMO COc1ccc(CC[N@@H+](C)Cc2cc(C#N)cs2)cc1 ZINC000933776123 639489341 /nfs/dbraw/zinc/48/93/41/639489341.db2.gz TZRBSTUVGNPTHZ-UHFFFAOYSA-N 1 1 286.400 3.303 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCCSC[C@H]2C2CC2)c1F ZINC000933915175 639505644 /nfs/dbraw/zinc/50/56/44/639505644.db2.gz OUVDIKCAONFOJE-HNNXBMFYSA-N 1 1 290.407 3.415 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCSC[C@H]2C2CC2)cc1 ZINC000933914310 639506687 /nfs/dbraw/zinc/50/66/87/639506687.db2.gz ILJGLSAVNKITCU-INIZCTEOSA-N 1 1 272.417 3.276 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1ccc(OC(F)F)c(OC)c1 ZINC000934472335 639615904 /nfs/dbraw/zinc/61/59/04/639615904.db2.gz LVYMJPJRPHZGTC-GFCCVEGCSA-N 1 1 283.318 3.447 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1nccn1Cc1ccccc1 ZINC000934469040 639616091 /nfs/dbraw/zinc/61/60/91/639616091.db2.gz NCSXDVCONKPMCE-MRXNPFEDSA-N 1 1 267.376 3.082 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1nccn1Cc1ccccc1 ZINC000934469040 639616092 /nfs/dbraw/zinc/61/60/92/639616092.db2.gz NCSXDVCONKPMCE-MRXNPFEDSA-N 1 1 267.376 3.082 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1nnc(-c2cc(C)oc2C)o1 ZINC000934473294 639617593 /nfs/dbraw/zinc/61/75/93/639617593.db2.gz VSFRVGGASGXACB-GFCCVEGCSA-N 1 1 273.336 3.097 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1nnc(-c2cc(C)oc2C)o1 ZINC000934473294 639617599 /nfs/dbraw/zinc/61/75/99/639617599.db2.gz VSFRVGGASGXACB-GFCCVEGCSA-N 1 1 273.336 3.097 20 30 CGEDMO C=CCCC[N@H+](CC)[C@@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000934647456 639648236 /nfs/dbraw/zinc/64/82/36/639648236.db2.gz ZJEUPVYJHAMGDH-ZDUSSCGKSA-N 1 1 285.391 3.422 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1cccc(NC(C)=O)c1 ZINC000934646636 639648307 /nfs/dbraw/zinc/64/83/07/639648307.db2.gz RCSLBVJCMOGXRA-UHFFFAOYSA-N 1 1 260.381 3.433 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)s1 ZINC000934834304 639684486 /nfs/dbraw/zinc/68/44/86/639684486.db2.gz PTNVKDZIHGTXMV-ZIAGYGMSSA-N 1 1 290.432 3.258 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N2CC[N@H+](C)C[C@@H]2CC)c1 ZINC000934884451 639699665 /nfs/dbraw/zinc/69/96/65/639699665.db2.gz UOOPRQIJWAZTHE-INIZCTEOSA-N 1 1 287.407 3.278 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000934886939 639702632 /nfs/dbraw/zinc/70/26/32/639702632.db2.gz NSDYIKKVOFGKQN-MRXNPFEDSA-N 1 1 287.407 3.278 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)c1 ZINC000934888454 639705078 /nfs/dbraw/zinc/70/50/78/639705078.db2.gz ZVTYEIZAZQSFGE-QAPCUYQASA-N 1 1 299.418 3.135 20 30 CGEDMO C#CC[N@H+](Cc1cn2cc(C)ccc2n1)C1CCCC1 ZINC000155820408 639953320 /nfs/dbraw/zinc/95/33/20/639953320.db2.gz DFNFNXFVKFTEBM-UHFFFAOYSA-N 1 1 267.376 3.021 20 30 CGEDMO NC(=[NH+]OCc1ccccc1F)C1CCCCC1 ZINC000049066112 640080746 /nfs/dbraw/zinc/08/07/46/640080746.db2.gz PGZDZGQTTNYLOT-UHFFFAOYSA-N 1 1 250.317 3.195 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)CC1CCC2(CC1)OCCO2 ZINC000190263330 640235814 /nfs/dbraw/zinc/23/58/14/640235814.db2.gz XEDHOXXCIVBYOO-UHFFFAOYSA-N 1 1 294.439 3.181 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CC(N)=NOCc1ccccc1Cl ZINC000078639415 640329909 /nfs/dbraw/zinc/32/99/09/640329909.db2.gz MSPARARQXVCSKN-GFCCVEGCSA-N 1 1 295.814 3.003 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)[C@H](C)C2CC2)cc1 ZINC000245542406 640625329 /nfs/dbraw/zinc/62/53/29/640625329.db2.gz PMLXNSBKCHARLT-CHWSQXEVSA-N 1 1 258.365 3.208 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](C)[C@H](C)C2)cc1 ZINC000245786975 640638605 /nfs/dbraw/zinc/63/86/05/640638605.db2.gz VJSUHSSSAHLLJL-RRFJBIMHSA-N 1 1 272.392 3.455 20 30 CGEDMO CCCCCCC[N@@H+]1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000245996535 640651570 /nfs/dbraw/zinc/65/15/70/640651570.db2.gz JFWNRODRSAMPBW-HZPDHXFCSA-N 1 1 295.423 3.374 20 30 CGEDMO CCCCCCC[N@H+]1CCOC[C@H]1C[C@@H](O)c1ccco1 ZINC000245996535 640651576 /nfs/dbraw/zinc/65/15/76/640651576.db2.gz JFWNRODRSAMPBW-HZPDHXFCSA-N 1 1 295.423 3.374 20 30 CGEDMO CCC[C@@H]1[C@H](C)CCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000246012940 640651695 /nfs/dbraw/zinc/65/16/95/640651695.db2.gz LGTGHAGKBPAJMJ-ZTFGCOKTSA-N 1 1 286.419 3.492 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](C)[C@H]2C)cc1 ZINC000246096472 640656554 /nfs/dbraw/zinc/65/65/54/640656554.db2.gz IYQWBDUZWULPMK-MGPQQGTHSA-N 1 1 258.365 3.208 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C(C)C)oc2C)C1 ZINC001009047467 640955352 /nfs/dbraw/zinc/95/53/52/640955352.db2.gz VPVSFHFJCVCLBI-CQSZACIVSA-N 1 1 290.407 3.092 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C)cc2C)C1 ZINC001009393851 640958755 /nfs/dbraw/zinc/95/87/55/640958755.db2.gz GNCGNRFKIRJFGH-INIZCTEOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)c2c(C)csc2Cl)C1 ZINC001009349456 640959476 /nfs/dbraw/zinc/95/94/76/640959476.db2.gz AYTWMLPPLJZRBJ-LLVKDONJSA-N 1 1 298.839 3.090 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)csc2Cl)C1 ZINC001009349456 640959480 /nfs/dbraw/zinc/95/94/80/640959480.db2.gz AYTWMLPPLJZRBJ-LLVKDONJSA-N 1 1 298.839 3.090 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001014437721 640972652 /nfs/dbraw/zinc/97/26/52/640972652.db2.gz KHGKUCFYEGPUQN-HZPDHXFCSA-N 1 1 290.451 3.114 20 30 CGEDMO NC(CCc1ccccc1)=[NH+]OCc1cccnc1Cl ZINC000112969439 640972969 /nfs/dbraw/zinc/97/29/69/640972969.db2.gz DYNAPNFXONGTFT-UHFFFAOYSA-N 1 1 289.766 3.157 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C2(C)CCCCCC2)C1 ZINC001014759075 640975883 /nfs/dbraw/zinc/97/58/83/640975883.db2.gz YZGDJYZGPIBLGX-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C(F)F)cc2)C1 ZINC001015862437 640986924 /nfs/dbraw/zinc/98/69/24/640986924.db2.gz ZQBDREBIFJZMGF-AWEZNQCLSA-N 1 1 294.345 3.004 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@H](C[N@H+](C)C(C)C)C1 ZINC001017179681 641008800 /nfs/dbraw/zinc/00/88/00/641008800.db2.gz MIXWDCCOZFMWLX-OAHLLOKOSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H](C)C1 ZINC001017866240 641017640 /nfs/dbraw/zinc/01/76/40/641017640.db2.gz QWJNVVWMVJUMFH-TWMKSMIVSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]1CC ZINC001017903234 641018370 /nfs/dbraw/zinc/01/83/70/641018370.db2.gz STGVGXOEEHTAIQ-MWDXBVQZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]1CC ZINC001017903234 641018377 /nfs/dbraw/zinc/01/83/77/641018377.db2.gz STGVGXOEEHTAIQ-MWDXBVQZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)CC(C)(C)C ZINC001155638893 805598536 /nfs/dbraw/zinc/59/85/36/805598536.db2.gz RFEKJYJUYIJPRP-HUUCEWRRSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)c1ccc(C)o1 ZINC001155704183 805604851 /nfs/dbraw/zinc/60/48/51/805604851.db2.gz PVMXQLWVSUNQJG-HIFRSBDPSA-N 1 1 292.423 3.094 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)C[C@H](CC)C(C)(C)C ZINC001156319199 805673759 /nfs/dbraw/zinc/67/37/59/805673759.db2.gz PVLOUQUDVHSCOD-CVEARBPZSA-N 1 1 294.483 3.299 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)CC(C)C ZINC001156311186 805674895 /nfs/dbraw/zinc/67/48/95/805674895.db2.gz UQLSDCXDSRCKQS-HZPDHXFCSA-N 1 1 282.472 3.461 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)CCC(C)(C)C ZINC001156403608 805684288 /nfs/dbraw/zinc/68/42/88/805684288.db2.gz JWZLOQSDXZQKAB-JKSUJKDBSA-N 1 1 294.483 3.299 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCCNc1cc(Cl)cc(C#N)n1 ZINC001156929296 805755915 /nfs/dbraw/zinc/75/59/15/805755915.db2.gz UIRANXNCAHPLAW-LBPRGKRZSA-N 1 1 292.814 3.283 20 30 CGEDMO CC(C)[N@@H+](C)[C@H]1CCN(c2nccc3ccc(C#N)cc32)C1 ZINC001157009285 805766360 /nfs/dbraw/zinc/76/63/60/805766360.db2.gz GJDVQIADDQGNOR-INIZCTEOSA-N 1 1 294.402 3.025 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)C1CC(C(C)(C)C)C1 ZINC001157203227 805788972 /nfs/dbraw/zinc/78/89/72/805788972.db2.gz CQNQHXSQOCFWST-QQFBHYJXSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)/C=C(/C)C1CC1 ZINC001157613942 805842679 /nfs/dbraw/zinc/84/26/79/805842679.db2.gz BUFRIZQGLWJWCN-AKMXKPQHSA-N 1 1 290.451 3.232 20 30 CGEDMO C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C=C(CC)CC ZINC001157827691 805879714 /nfs/dbraw/zinc/87/97/14/805879714.db2.gz IHHJIQCFXVTWOS-QGZVFWFLSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)C/C=C(\C)C=C ZINC001158335767 805940304 /nfs/dbraw/zinc/94/03/04/805940304.db2.gz BYDOBRCDLXWISO-AAGJOFLKSA-N 1 1 276.424 3.008 20 30 CGEDMO Cc1ccc(CCCNc2ccc(CC#N)c(C)[nH+]2)cn1 ZINC001158377672 805948164 /nfs/dbraw/zinc/94/81/64/805948164.db2.gz RHMJPLQXCYDOFN-UHFFFAOYSA-N 1 1 280.375 3.204 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC12CC2 ZINC001158518721 805962671 /nfs/dbraw/zinc/96/26/71/805962671.db2.gz KXSILQYMOHXYMU-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CCC(C)(C)C ZINC001158631389 805979245 /nfs/dbraw/zinc/97/92/45/805979245.db2.gz NZXFZEBMHNLNTK-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CC[C@](C)(O)[C@@H](C)C1 ZINC001252122968 806010542 /nfs/dbraw/zinc/01/05/42/806010542.db2.gz AXLSYBFJHUGQJK-ULQDDVLXSA-N 1 1 285.472 3.191 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC001252124888 806013023 /nfs/dbraw/zinc/01/30/23/806013023.db2.gz UXIWTOICWRUHSA-DLBZAZTESA-N 1 1 283.456 3.210 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCN(CC)C[C@H]1C ZINC001252134104 806019964 /nfs/dbraw/zinc/01/99/64/806019964.db2.gz VJRSRHLEZSOYKY-SJORKVTESA-N 1 1 284.488 3.124 20 30 CGEDMO CCCCCCCC[C@H](O)CN1CC[N@H+](CC)C[C@H]1C ZINC001252134104 806019972 /nfs/dbraw/zinc/01/99/72/806019972.db2.gz VJRSRHLEZSOYKY-SJORKVTESA-N 1 1 284.488 3.124 20 30 CGEDMO CCCCCCCC[C@H](O)CN1CC[N@@H+](CC)C[C@H]1C ZINC001252134104 806019982 /nfs/dbraw/zinc/01/99/82/806019982.db2.gz VJRSRHLEZSOYKY-SJORKVTESA-N 1 1 284.488 3.124 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)CC2CCCC2)CC1 ZINC001159136637 806048193 /nfs/dbraw/zinc/04/81/93/806048193.db2.gz CKSUDZMOCSRAFT-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=C[C@](C)(O)C[N@@H+]1CCC[C@H]1c1ccccc1SC ZINC001252556365 806063249 /nfs/dbraw/zinc/06/32/49/806063249.db2.gz CRLFNWHZDAJSDT-HOCLYGCPSA-N 1 1 277.433 3.482 20 30 CGEDMO C=C[C@@](C)(O)C[N@@H+](CC)Cc1ccc(Br)cc1 ZINC001252556457 806063524 /nfs/dbraw/zinc/06/35/24/806063524.db2.gz CEHRZAJBUUADHU-CQSZACIVSA-N 1 1 298.224 3.208 20 30 CGEDMO C=C[C@](C)(O)C[N@@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001252561420 806066351 /nfs/dbraw/zinc/06/63/51/806066351.db2.gz FOFZWNGBPXUXGC-AWEZNQCLSA-N 1 1 286.202 3.289 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1CCc2cc(Cl)cc(Cl)c2C1 ZINC001252561420 806066361 /nfs/dbraw/zinc/06/63/61/806066361.db2.gz FOFZWNGBPXUXGC-AWEZNQCLSA-N 1 1 286.202 3.289 20 30 CGEDMO C=CCCC(=O)NCCC1=CC[N@@H+](CC2CC(C)C2)CC1 ZINC001159544580 806119283 /nfs/dbraw/zinc/11/92/83/806119283.db2.gz UFTWCTHYVFEIKT-UHFFFAOYSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)/C=C\C(C)(C)C)CC1 ZINC001159593225 806127946 /nfs/dbraw/zinc/12/79/46/806127946.db2.gz CJLZYWJWZMAAEC-POHAHGRESA-N 1 1 290.451 3.303 20 30 CGEDMO CC[N@H+]1CCCC[C@H]1c1ccc(NCCCS)nc1 ZINC001159871580 806189231 /nfs/dbraw/zinc/18/92/31/806189231.db2.gz LCGRBMWNLOQKKT-AWEZNQCLSA-N 1 1 279.453 3.360 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCN2CCCC[C@H]2C1 ZINC001253239572 806189958 /nfs/dbraw/zinc/18/99/58/806189958.db2.gz NXFDZYUIZXPIIW-ZWKOTPCHSA-N 1 1 294.483 3.044 20 30 CGEDMO C=CCCCCCC[C@@H](O)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC001253239572 806189963 /nfs/dbraw/zinc/18/99/63/806189963.db2.gz NXFDZYUIZXPIIW-ZWKOTPCHSA-N 1 1 294.483 3.044 20 30 CGEDMO C=CCCCCCC[C@@H](O)CN1CC[N@H+]2CCCC[C@H]2C1 ZINC001253239572 806189967 /nfs/dbraw/zinc/18/99/67/806189967.db2.gz NXFDZYUIZXPIIW-ZWKOTPCHSA-N 1 1 294.483 3.044 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@H](N(C)C2CC2)C1 ZINC001253242832 806191784 /nfs/dbraw/zinc/19/17/84/806191784.db2.gz OVGORTYKTDKZPI-ROUUACIJSA-N 1 1 294.483 3.042 20 30 CGEDMO C=CCCCCCC[C@H](O)CN1CC[C@H]([N@H+](C)C2CC2)C1 ZINC001253242832 806191789 /nfs/dbraw/zinc/19/17/89/806191789.db2.gz OVGORTYKTDKZPI-ROUUACIJSA-N 1 1 294.483 3.042 20 30 CGEDMO C=CCCCCCC[C@H](O)CN1CC[C@H]([N@@H+](C)C2CC2)C1 ZINC001253242832 806191792 /nfs/dbraw/zinc/19/17/92/806191792.db2.gz OVGORTYKTDKZPI-ROUUACIJSA-N 1 1 294.483 3.042 20 30 CGEDMO C=C[C@H](O)C[N@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC001253584104 806263859 /nfs/dbraw/zinc/26/38/59/806263859.db2.gz JWQOEQIAZJOBIV-UONOGXRCSA-N 1 1 296.208 3.133 20 30 CGEDMO C=C[C@@H](O)C[N@H+]1CCSC[C@@H]1c1cccc2ccccc21 ZINC001253585842 806264840 /nfs/dbraw/zinc/26/48/40/806264840.db2.gz CVGFAQMUZXWONA-CRAIPNDOSA-N 1 1 299.439 3.477 20 30 CGEDMO Cc1ccc(CC#N)c(NCc2noc3ccccc23)[nH+]1 ZINC001160585321 806286182 /nfs/dbraw/zinc/28/61/82/806286182.db2.gz PTLUMOZZZUUBKL-UHFFFAOYSA-N 1 1 278.315 3.209 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)CCCC2CC2)CC1 ZINC001160991550 806332941 /nfs/dbraw/zinc/33/29/41/806332941.db2.gz PZBJFMSREYYNKC-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CCCCC(=O)NCCC1=CC[N@@H+](CC=C(C)C)CC1 ZINC001161056297 806344804 /nfs/dbraw/zinc/34/48/04/806344804.db2.gz BUYPMQZTMZYERM-UHFFFAOYSA-N 1 1 290.451 3.447 20 30 CGEDMO CC(C)c1ccc(C#N)c(N[C@H]2CC[N@H+](C3CCC3)C2)n1 ZINC001161175992 806354536 /nfs/dbraw/zinc/35/45/36/806354536.db2.gz PGJQAKNLXDVNRC-AWEZNQCLSA-N 1 1 284.407 3.115 20 30 CGEDMO COCc1ccc(CNc2[nH+]ccc3[nH]cc(C#N)c32)cc1 ZINC001161327542 806366903 /nfs/dbraw/zinc/36/69/03/806366903.db2.gz UCLCAPHTOMLDSR-UHFFFAOYSA-N 1 1 292.342 3.193 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@@H+](C1CCC(F)(F)CC1)CC2 ZINC001254218614 806368898 /nfs/dbraw/zinc/36/88/98/806368898.db2.gz MZGYLQWMGVFSSW-UHFFFAOYSA-N 1 1 276.330 3.494 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[C@H](C)C2)CC1 ZINC001161398006 806373931 /nfs/dbraw/zinc/37/39/31/806373931.db2.gz MBGZYXITFZAKPS-RDJZCZTQSA-N 1 1 290.451 3.137 20 30 CGEDMO Cc1[nH+]c(N[C@H](C)c2ccc3c(c2)OCO3)ccc1CC#N ZINC001161517515 806386505 /nfs/dbraw/zinc/38/65/05/806386505.db2.gz HOXNMKKOFDJVRB-GFCCVEGCSA-N 1 1 295.342 3.358 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H]2C[C@@]2(C)CC)CC1 ZINC001161616571 806400084 /nfs/dbraw/zinc/40/00/84/806400084.db2.gz IUPVRKJADWFDTD-SJLPKXTDSA-N 1 1 290.451 3.137 20 30 CGEDMO C[N@@H+](Cc1ncccc1C(F)(F)F)[C@H]1CC[C@H](C#N)C1 ZINC001254661563 806477978 /nfs/dbraw/zinc/47/79/78/806477978.db2.gz VLFWPXTYNIQFMW-QWRGUYRKSA-N 1 1 283.297 3.224 20 30 CGEDMO C[N@@H+](Cc1ccccc1)C1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254668804 806479436 /nfs/dbraw/zinc/47/94/36/806479436.db2.gz LFNKVWYLIJXAML-MJGOQNOKSA-N 1 1 297.446 3.275 20 30 CGEDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)[C@@H]1CC[C@H](C#N)C1 ZINC001254669339 806479790 /nfs/dbraw/zinc/47/97/90/806479790.db2.gz REQYMSHMZRBJRA-FUHWJXTLSA-N 1 1 283.419 3.411 20 30 CGEDMO C#CC[N@@H+]([C@@H]1CC[C@H](C#N)C1)[C@@H]1CCc2ccccc21 ZINC001254668788 806479940 /nfs/dbraw/zinc/47/99/40/806479940.db2.gz LCONOOSMDLPPIT-YXJHDRRASA-N 1 1 264.372 3.301 20 30 CGEDMO COc1ccccc1C[C@H](C)[N@@H+](C)[C@@H]1CC[C@H](C#N)C1 ZINC001254673657 806483381 /nfs/dbraw/zinc/48/33/81/806483381.db2.gz MVHKGHVSMQNOTN-OFQRWUPVSA-N 1 1 272.392 3.250 20 30 CGEDMO C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)[C@H](C)CN1Cc1ccccc1 ZINC001254679324 806484794 /nfs/dbraw/zinc/48/47/94/806484794.db2.gz LHOJKZMQEVSADS-PSBWJHGTSA-N 1 1 297.446 3.273 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1[C@@H]1CC[C@@H](C#N)C1 ZINC001254679324 806484798 /nfs/dbraw/zinc/48/47/98/806484798.db2.gz LHOJKZMQEVSADS-PSBWJHGTSA-N 1 1 297.446 3.273 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1[C@@H]1CC[C@@H](C#N)C1 ZINC001254679324 806484806 /nfs/dbraw/zinc/48/48/06/806484806.db2.gz LHOJKZMQEVSADS-PSBWJHGTSA-N 1 1 297.446 3.273 20 30 CGEDMO C=CC(C)(C)CCCNC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC001254994727 806523486 /nfs/dbraw/zinc/52/34/86/806523486.db2.gz CBTJOTYDTLEEHO-UHFFFAOYSA-N 1 1 295.471 3.105 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]CCOc1cccc2ccoc21 ZINC001255162945 806560855 /nfs/dbraw/zinc/56/08/55/806560855.db2.gz AEHRGJXPUFGZNI-ZDUSSCGKSA-N 1 1 258.321 3.093 20 30 CGEDMO CC[C@H](CC#N)[NH+]1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC001255173592 806567663 /nfs/dbraw/zinc/56/76/63/806567663.db2.gz MJLNFCMQFCCQKI-CYBMUJFWSA-N 1 1 295.427 3.058 20 30 CGEDMO CC[C@H](CC#N)[N@@H+]1CCCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001255166441 806564768 /nfs/dbraw/zinc/56/47/68/806564768.db2.gz KWOFKVBCCOWBOG-UONOGXRCSA-N 1 1 295.427 3.058 20 30 CGEDMO CC[C@H](CC#N)[N@H+]1CCCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001255166441 806564775 /nfs/dbraw/zinc/56/47/75/806564775.db2.gz KWOFKVBCCOWBOG-UONOGXRCSA-N 1 1 295.427 3.058 20 30 CGEDMO CC[C@@H](CC#N)N1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001255173408 806566709 /nfs/dbraw/zinc/56/67/09/806566709.db2.gz AANMFQASNZNLRS-JYJNAYRXSA-N 1 1 263.429 3.017 20 30 CGEDMO C=CCN1CC[C@@]2(CCC[N@H+]([C@@H](C)CCCC)C2)C1=O ZINC001255325815 806613363 /nfs/dbraw/zinc/61/33/63/806613363.db2.gz MBARKWRSVTYHMQ-DOTOQJQBSA-N 1 1 278.440 3.066 20 30 CGEDMO CCCC[N@@H+](CCC#N)[C@@H]1CCC[C@@H](C(=O)OCC)C1 ZINC001255367025 806626731 /nfs/dbraw/zinc/62/67/31/806626731.db2.gz KPEKVHOLODVFGL-HUUCEWRRSA-N 1 1 280.412 3.124 20 30 CGEDMO N#CC1CCN([C@@H]2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC001255399678 806632663 /nfs/dbraw/zinc/63/26/63/806632663.db2.gz XDJCSSVHTQQPMZ-LJQANCHMSA-N 1 1 297.446 3.277 20 30 CGEDMO N#CC1CCN([C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC001255399678 806632668 /nfs/dbraw/zinc/63/26/68/806632668.db2.gz XDJCSSVHTQQPMZ-LJQANCHMSA-N 1 1 297.446 3.277 20 30 CGEDMO CCC[C@H](C)[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC000036790557 798851029 /nfs/dbraw/zinc/85/10/29/798851029.db2.gz HPUXLAICXSOIEF-AWEZNQCLSA-N 1 1 260.381 3.448 20 30 CGEDMO C=C(Br)C[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000168270246 799085741 /nfs/dbraw/zinc/08/57/41/799085741.db2.gz BICWUHUGJQUVLG-UHFFFAOYSA-N 1 1 278.552 3.477 20 30 CGEDMO N#Cc1ccccc1OCC[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000252372940 799166163 /nfs/dbraw/zinc/16/61/63/799166163.db2.gz MXRIOYFESWPIKX-WBVHZDCISA-N 1 1 284.403 3.449 20 30 CGEDMO C[C@]1(C#N)CC[N@H+]([C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001255723535 806720249 /nfs/dbraw/zinc/72/02/49/806720249.db2.gz NLUYNUCIHNBJEW-GRYCIOLGSA-N 1 1 260.303 3.343 20 30 CGEDMO C[C@H](c1cccc(Cl)c1)[N@H+](C)CCO[C@@H](C)C#N ZINC000385466471 799426456 /nfs/dbraw/zinc/42/64/56/799426456.db2.gz DKKWWRYANHOPNX-NWDGAFQWSA-N 1 1 266.772 3.261 20 30 CGEDMO C#C[C@@H](Nc1[nH+]cnc2[nH]cc(CC)c21)c1ccc(F)cc1 ZINC001163364896 806748886 /nfs/dbraw/zinc/74/88/86/806748886.db2.gz ZEKGLVGYJCYJCO-CQSZACIVSA-N 1 1 294.333 3.446 20 30 CGEDMO CC[C@@H](CC#N)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000390714565 799473269 /nfs/dbraw/zinc/47/32/69/799473269.db2.gz BTLNTBLQTYEVEH-MSOLQXFVSA-N 1 1 285.435 3.180 20 30 CGEDMO C=C(C)CNc1cc[nH+]c2ccc(Br)cc12 ZINC001163378024 806755037 /nfs/dbraw/zinc/75/50/37/806755037.db2.gz AWWPLWNXXKRTJC-UHFFFAOYSA-N 1 1 277.165 3.407 20 30 CGEDMO C[C@@H](Cc1ccccc1F)[N@H+]1CCC[C@H](CC#N)C1 ZINC001255851836 806768491 /nfs/dbraw/zinc/76/84/91/806768491.db2.gz XNNLIKLKLMCTIG-UONOGXRCSA-N 1 1 260.356 3.382 20 30 CGEDMO C#C[C@H]([NH2+]Cc1ccn(-c2ccccc2)n1)C(C)(C)C ZINC000702237927 799905449 /nfs/dbraw/zinc/90/54/49/799905449.db2.gz ANOJROLRMUWTFD-INIZCTEOSA-N 1 1 267.376 3.010 20 30 CGEDMO CCC[C@H]1CCC[N@@H+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC000708408174 799989407 /nfs/dbraw/zinc/98/94/07/799989407.db2.gz COPKCHUTWALWTQ-YOEHRIQHSA-N 1 1 272.392 3.104 20 30 CGEDMO C#CC[N@@H+]([C@@H]1CCc2ccccc21)C1CCN(C2CC2)CC1 ZINC001256078913 806814089 /nfs/dbraw/zinc/81/40/89/806814089.db2.gz FGRAJICZUUDLPR-HXUWFJFHSA-N 1 1 294.442 3.236 20 30 CGEDMO C#CCN([C@@H]1CCc2ccccc21)C1CC[NH+](C2CC2)CC1 ZINC001256078913 806814095 /nfs/dbraw/zinc/81/40/95/806814095.db2.gz FGRAJICZUUDLPR-HXUWFJFHSA-N 1 1 294.442 3.236 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCC[C@@H]2C2CCCCC2)c1 ZINC000721573689 800294204 /nfs/dbraw/zinc/29/42/04/800294204.db2.gz WSSPUOWXYGHGCW-QGZVFWFLSA-N 1 1 269.392 3.498 20 30 CGEDMO CC([NH2+]Nc1cccc([N+](=O)[O-])c1)=C1CC1(F)F ZINC000841605674 800502301 /nfs/dbraw/zinc/50/23/01/800502301.db2.gz QNMAFNDYYUHNTK-SNVBAGLBSA-N 1 1 255.224 3.038 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@@H](C)Cc1cccc(OC)c1 ZINC001256164166 806840173 /nfs/dbraw/zinc/84/01/73/806840173.db2.gz KBEZLBOKEGSQMY-AWEZNQCLSA-N 1 1 260.381 3.252 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)Cc1cccc(Br)c1 ZINC001256191478 806844935 /nfs/dbraw/zinc/84/49/35/806844935.db2.gz STIZKZQCZXKBFK-NSHDSACASA-N 1 1 268.198 3.498 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C=C)cc2)C1 ZINC001008624427 800698970 /nfs/dbraw/zinc/69/89/70/800698970.db2.gz VVQIGGWVZBRFKX-QGZVFWFLSA-N 1 1 284.403 3.100 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)c2cccs2)C1 ZINC001023211265 800708601 /nfs/dbraw/zinc/70/86/01/800708601.db2.gz PALJHTRYHLUTJE-AWEZNQCLSA-N 1 1 292.448 3.156 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](CNC(=O)C2=CCCCCC2)C1 ZINC001023330252 800710363 /nfs/dbraw/zinc/71/03/63/800710363.db2.gz DXUIUGQHQCBJLK-INIZCTEOSA-N 1 1 290.451 3.281 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc(C)oc1C ZINC001024326344 800724715 /nfs/dbraw/zinc/72/47/15/800724715.db2.gz KGMHYXSDGLVDFU-HNNXBMFYSA-N 1 1 290.407 3.057 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)c1occc1C ZINC001024331110 800726212 /nfs/dbraw/zinc/72/62/12/800726212.db2.gz DCCCPENNKUHNPH-OAHLLOKOSA-N 1 1 290.407 3.139 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)C1=CCCCCC1 ZINC001024410503 800727045 /nfs/dbraw/zinc/72/70/45/800727045.db2.gz GQLWMBXQKWHYNS-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)sc1C ZINC001024537245 800729733 /nfs/dbraw/zinc/72/97/33/800729733.db2.gz CPGKPJADBVCIQG-CQSZACIVSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1occc1Cl ZINC001024636206 800733745 /nfs/dbraw/zinc/73/37/45/800733745.db2.gz PCHJFEPFROFCEI-LBPRGKRZSA-N 1 1 296.798 3.093 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCC ZINC001025192402 800747359 /nfs/dbraw/zinc/74/73/59/800747359.db2.gz PTQDLUDHYDJZBD-GJZGRUSLSA-N 1 1 298.858 3.385 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccs2)C1 ZINC001025329003 800756901 /nfs/dbraw/zinc/75/69/01/800756901.db2.gz MLSADSLYJUYBBH-KGLIPLIRSA-N 1 1 292.448 3.155 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(C=C)cc2)C1 ZINC001025544690 800763589 /nfs/dbraw/zinc/76/35/89/800763589.db2.gz YXAZMIWMAPLHDO-CRAIPNDOSA-N 1 1 298.430 3.346 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(C)s2)C1 ZINC001027276586 800787942 /nfs/dbraw/zinc/78/79/42/800787942.db2.gz LMVRUACNGPEYRC-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2sccc2C)C1 ZINC001027275190 800788815 /nfs/dbraw/zinc/78/88/15/800788815.db2.gz MBLYRDWXMKQDGH-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)CC(C)(C)C)C1 ZINC001027303197 800789940 /nfs/dbraw/zinc/78/99/40/800789940.db2.gz RLVPRDKISIYVJD-CYBMUJFWSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)CC(C)(C)C)C1 ZINC001027303197 800789944 /nfs/dbraw/zinc/78/99/44/800789944.db2.gz RLVPRDKISIYVJD-CYBMUJFWSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C2CCCCCC2)C1 ZINC001027332890 800791295 /nfs/dbraw/zinc/79/12/95/800791295.db2.gz VTMJIWVKYCFJEV-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)/C=C(\C)C2CC2)C1 ZINC001027311955 800792232 /nfs/dbraw/zinc/79/22/32/800792232.db2.gz APVJISSQAWEEOL-SAAWKEMMSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)/C=C(\C)C2CC2)C1 ZINC001027311955 800792236 /nfs/dbraw/zinc/79/22/36/800792236.db2.gz APVJISSQAWEEOL-SAAWKEMMSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2ccoc2Cl)C1 ZINC001027386369 800793235 /nfs/dbraw/zinc/79/32/35/800793235.db2.gz ACEMGQRBONJPKL-GFCCVEGCSA-N 1 1 296.798 3.046 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C)C2CCC2)C1 ZINC001027460726 800796128 /nfs/dbraw/zinc/79/61/28/800796128.db2.gz NZLAEMQZEKBNFR-HIFRSBDPSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C)C2CCC2)C1 ZINC001027460726 800796132 /nfs/dbraw/zinc/79/61/32/800796132.db2.gz NZLAEMQZEKBNFR-HIFRSBDPSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2occc2Cl)C1 ZINC001027560493 800804076 /nfs/dbraw/zinc/80/40/76/800804076.db2.gz AVACCIWBEKIRJT-LBPRGKRZSA-N 1 1 296.798 3.046 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)C1=CCCCCC1 ZINC001027843557 800822432 /nfs/dbraw/zinc/82/24/32/800822432.db2.gz CMLZFNBRJDBKPZ-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C1=CCCCCC1 ZINC001027847352 800824242 /nfs/dbraw/zinc/82/42/42/800824242.db2.gz ILQHOAQJFTVYQY-OAHLLOKOSA-N 1 1 296.842 3.210 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C1=CCCCCC1 ZINC001027847352 800824247 /nfs/dbraw/zinc/82/42/47/800824247.db2.gz ILQHOAQJFTVYQY-OAHLLOKOSA-N 1 1 296.842 3.210 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC1(C)C ZINC001028081001 800830523 /nfs/dbraw/zinc/83/05/23/800830523.db2.gz KHOHVRDZVXABQM-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)c1occc1CC ZINC001028117523 800831162 /nfs/dbraw/zinc/83/11/62/800831162.db2.gz QFNRNQXGCJRAIM-HNNXBMFYSA-N 1 1 290.407 3.002 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccoc1C(C)C ZINC001028341324 800845355 /nfs/dbraw/zinc/84/53/55/800845355.db2.gz IDXRJKKXBZSPLE-AWEZNQCLSA-N 1 1 290.407 3.173 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)c2ccccc2C)C1 ZINC001028381982 800847032 /nfs/dbraw/zinc/84/70/32/800847032.db2.gz CMMNSJHGSVBVID-INIZCTEOSA-N 1 1 286.419 3.013 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCC2(C)C)C1 ZINC001028746664 800853097 /nfs/dbraw/zinc/85/30/97/800853097.db2.gz QRUHADBFNAJDCL-ZIAGYGMSSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCC2(C)C)C1 ZINC001028746664 800853103 /nfs/dbraw/zinc/85/31/03/800853103.db2.gz QRUHADBFNAJDCL-ZIAGYGMSSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CNC(=O)c2csc(Cl)c2)C1 ZINC001028846880 800854012 /nfs/dbraw/zinc/85/40/12/800854012.db2.gz UQFFREFBEFHVBC-LLVKDONJSA-N 1 1 298.839 3.029 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](F)CC ZINC001029454012 800868994 /nfs/dbraw/zinc/86/89/94/800868994.db2.gz PRQUHAAWTMMFMU-LJIGWXMPSA-N 1 1 296.430 3.012 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](F)CC ZINC001029454012 800869001 /nfs/dbraw/zinc/86/90/01/800869001.db2.gz PRQUHAAWTMMFMU-LJIGWXMPSA-N 1 1 296.430 3.012 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC ZINC001029456646 800869106 /nfs/dbraw/zinc/86/91/06/800869106.db2.gz KLBYVBQVVQQHMP-HLLBOEOZSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)C ZINC001029456614 800869210 /nfs/dbraw/zinc/86/92/10/800869210.db2.gz JASOYZGTZNAEQB-JZXOWHBKSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC(C[N@@H+](C)CC2CC2)CC1 ZINC001029982368 800880158 /nfs/dbraw/zinc/88/01/58/800880158.db2.gz VYXYYRKQFZKBOW-UHFFFAOYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)CC1CCCC1 ZINC001032661083 800932661 /nfs/dbraw/zinc/93/26/61/800932661.db2.gz PVQOGSWHTIYGQL-PVAVHDDUSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C2CC2)c1 ZINC001032807636 800937646 /nfs/dbraw/zinc/93/76/46/800937646.db2.gz QZHWFICNEMRLGF-ROUUACIJSA-N 1 1 296.414 3.039 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C2CC2)c1 ZINC001032807636 800937654 /nfs/dbraw/zinc/93/76/54/800937654.db2.gz QZHWFICNEMRLGF-ROUUACIJSA-N 1 1 296.414 3.039 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccoc2Cl)C1 ZINC001033041111 800951198 /nfs/dbraw/zinc/95/11/98/800951198.db2.gz WSOPUMBGEQKLNC-LBPRGKRZSA-N 1 1 296.798 3.046 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001033101373 800952564 /nfs/dbraw/zinc/95/25/64/800952564.db2.gz FOJCHBVANFURAU-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C)sc2C)C1 ZINC001033236702 800955552 /nfs/dbraw/zinc/95/55/52/800955552.db2.gz BWOQVBMWTGSPFY-AWEZNQCLSA-N 1 1 292.448 3.087 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Cl)s2)C1 ZINC001033638231 800971406 /nfs/dbraw/zinc/97/14/06/800971406.db2.gz XNZGUMDCIDVTMX-LLVKDONJSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C)cc2C)C1 ZINC001033635099 800971475 /nfs/dbraw/zinc/97/14/75/800971475.db2.gz DWSVBKKCZJILSG-INIZCTEOSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C3CC3)cc2)C1 ZINC001033679030 800972829 /nfs/dbraw/zinc/97/28/29/800972829.db2.gz RYTVEJWWOUGFCF-SFHVURJKSA-N 1 1 298.430 3.286 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)C23CCC(CC2)CC3)C1 ZINC001033675717 800974070 /nfs/dbraw/zinc/97/40/70/800974070.db2.gz LCDQXQJSJBJVRV-UPTPFMHGSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccoc2C(C)C)C1 ZINC001033703627 800976886 /nfs/dbraw/zinc/97/68/86/800976886.db2.gz CKCITSLEXCFOSO-CQSZACIVSA-N 1 1 290.407 3.125 20 30 CGEDMO C#Cc1ccc(C(=O)N(CC)[C@H]2CC[N@H+](CCCC)C2)cc1 ZINC001033922444 800988092 /nfs/dbraw/zinc/98/80/92/800988092.db2.gz JZSOUAULFUNXPW-SFHVURJKSA-N 1 1 298.430 3.004 20 30 CGEDMO C=C1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](CCC)C2)CC1 ZINC001033951406 800991697 /nfs/dbraw/zinc/99/16/97/800991697.db2.gz VGRNFBQTGDCPMF-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)C2CC(C(C)(C)C)C2)C1 ZINC001034051734 800996703 /nfs/dbraw/zinc/99/67/03/800996703.db2.gz ZSNMEHISWOPERB-UYSNPLJNSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)c2cccs2)C1 ZINC001034086088 801002185 /nfs/dbraw/zinc/00/21/85/801002185.db2.gz VREIZSDNUFORLY-CQSZACIVSA-N 1 1 292.448 3.299 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CC=CCC2)C1 ZINC001034103186 801005521 /nfs/dbraw/zinc/00/55/21/801005521.db2.gz ZDZVFEKNUDAHSS-GJZGRUSLSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC=CCC2)C1 ZINC001034103186 801005525 /nfs/dbraw/zinc/00/55/25/801005525.db2.gz ZDZVFEKNUDAHSS-GJZGRUSLSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CC[N@H+]1CCCC[C@@H](NC(=O)C=C2CCCCC2)C1 ZINC001034127172 801006773 /nfs/dbraw/zinc/00/67/73/801006773.db2.gz IDQSGCYFNXCDLC-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)C2CC(C)(C)C2)C1 ZINC001034202546 801010363 /nfs/dbraw/zinc/01/03/63/801010363.db2.gz VBGVDSAMKQEMPE-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2sccc2F)C1 ZINC001034193525 801010911 /nfs/dbraw/zinc/01/09/11/801010911.db2.gz AYQQLFVAQQOLAH-LBPRGKRZSA-N 1 1 296.411 3.048 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC23CC3)C1 ZINC001034274331 801014851 /nfs/dbraw/zinc/01/48/51/801014851.db2.gz SZKBSVMNQCHCKV-CVEARBPZSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC2(C)C)C1 ZINC001034349502 801017935 /nfs/dbraw/zinc/01/79/35/801017935.db2.gz AJQPUQTUAPYUQK-KGLIPLIRSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC2(C)C)C1 ZINC001034349502 801017944 /nfs/dbraw/zinc/01/79/44/801017944.db2.gz AJQPUQTUAPYUQK-KGLIPLIRSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2ccccc2CC)C1 ZINC001034373495 801021553 /nfs/dbraw/zinc/02/15/53/801021553.db2.gz TUQVUJYHDBCDKE-INIZCTEOSA-N 1 1 286.419 3.019 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccoc2CCC)C1 ZINC001034485933 801027584 /nfs/dbraw/zinc/02/75/84/801027584.db2.gz VAXSTZBVWMVJMC-CQSZACIVSA-N 1 1 290.407 3.002 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001034498083 801030611 /nfs/dbraw/zinc/03/06/11/801030611.db2.gz HUQIXDALBAEISC-BRWVUGGUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001034538662 801031968 /nfs/dbraw/zinc/03/19/68/801031968.db2.gz UQLZUXVODOAIAR-FUHWJXTLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@H+]1CCC2(C1)CCN(C(=O)CC1CCC1)CC2 ZINC001035172953 801053774 /nfs/dbraw/zinc/05/37/74/801053774.db2.gz USNJRFNJHGZAPK-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)c3ccc(C)cc3)CC[C@@H]21 ZINC001036878361 801092650 /nfs/dbraw/zinc/09/26/50/801092650.db2.gz VQCMZDGQITVTTG-ROUUACIJSA-N 1 1 298.430 3.108 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2CN(C(=O)c3c(C)cccc3C)CC[C@@H]21 ZINC001036827301 801092921 /nfs/dbraw/zinc/09/29/21/801092921.db2.gz VUNDMHVEFRASTA-IRXDYDNUSA-N 1 1 298.430 3.026 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)oc2ccccc21 ZINC001038284363 801123268 /nfs/dbraw/zinc/12/32/68/801123268.db2.gz OJXZODFJWSDCJA-CQSZACIVSA-N 1 1 298.386 3.121 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(Cl)cc1C ZINC001038658581 801130413 /nfs/dbraw/zinc/13/04/13/801130413.db2.gz PPBKDNOBIJHCHF-CQSZACIVSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]1CNC(=O)c1ccc2c(c1)C=CCC2 ZINC001038803032 801134577 /nfs/dbraw/zinc/13/45/77/801134577.db2.gz VUBCCJIPZCHGFG-SFHVURJKSA-N 1 1 296.414 3.026 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C(C)C)cc1 ZINC001038952989 801137602 /nfs/dbraw/zinc/13/76/02/801137602.db2.gz PUJBAVUJRLUUPL-QGZVFWFLSA-N 1 1 286.419 3.190 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)c1ccccc1Cl ZINC001038945644 801138453 /nfs/dbraw/zinc/13/84/53/801138453.db2.gz TYEZACODMZLQDN-CYBMUJFWSA-N 1 1 292.810 3.110 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1=CCCCC1 ZINC001039346451 801159533 /nfs/dbraw/zinc/15/95/33/801159533.db2.gz IXUIPNBXOGKZNU-SJORKVTESA-N 1 1 288.435 3.128 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC1(C)C ZINC001039420244 801161450 /nfs/dbraw/zinc/16/14/50/801161450.db2.gz KDFKPBJNZYUSCD-PMPSAXMXSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@H](C)CC ZINC001039820372 801166550 /nfs/dbraw/zinc/16/65/50/801166550.db2.gz FQMUHXWXXMSSEJ-OAGGEKHMSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC(C)C ZINC001039821265 801167219 /nfs/dbraw/zinc/16/72/19/801167219.db2.gz PLLIUHCASUUSSC-IYBDPMFKSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(CC)CC)C2)C1 ZINC001040074903 801172474 /nfs/dbraw/zinc/17/24/74/801172474.db2.gz RKJCKNIZWINPRP-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)C3(C)CCCC3)C2)C1 ZINC001040318951 801175406 /nfs/dbraw/zinc/17/54/06/801175406.db2.gz AHRXNDNQNMWLGM-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC[C@]3(C2)CCC[N@H+](CCC)C3)C1 ZINC001040385645 801176509 /nfs/dbraw/zinc/17/65/09/801176509.db2.gz WQEFWBZUJVEEBO-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C3(CC)CC3)C2)C1 ZINC001040379488 801176574 /nfs/dbraw/zinc/17/65/74/801176574.db2.gz KFTXCHAVSHCADY-KRWDZBQOSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)C3CCCCC3)C2)C1 ZINC001041030383 801184773 /nfs/dbraw/zinc/18/47/73/801184773.db2.gz LFBKVSARDAZHRL-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@](C)(C=C)CC)C2)C1 ZINC001041637817 801193106 /nfs/dbraw/zinc/19/31/06/801193106.db2.gz GGUHUWRZWYJQLJ-MSOLQXFVSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CCN(C(=O)C3CCCCC3)C[C@H]21 ZINC001041909823 801196074 /nfs/dbraw/zinc/19/60/74/801196074.db2.gz KPTLEDTXFZVRCD-DOTOQJQBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](CC(C)C)[C@@H]2C1 ZINC001042185239 801201655 /nfs/dbraw/zinc/20/16/55/801201655.db2.gz RANRYMKKSJJPOC-JKSUJKDBSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)C(=C)C)C[C@@H]21 ZINC001042182716 801202481 /nfs/dbraw/zinc/20/24/81/801202481.db2.gz GQXWLMHBABIRLH-HOTGVXAUSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](CCC(C)C)[C@H]2C1 ZINC001042183134 801202587 /nfs/dbraw/zinc/20/25/87/801202587.db2.gz OFGGJVBAFQVAHS-CVEARBPZSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC[C@H]3CC[N@H+](CCCC)[C@H]3C2)C1 ZINC001042224954 801203994 /nfs/dbraw/zinc/20/39/94/801203994.db2.gz TXCFMVVOKPPXPD-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[NH+]1CC(N(C)C(=O)c2sc(C)cc2C)C1 ZINC001042800100 801215153 /nfs/dbraw/zinc/21/51/53/801215153.db2.gz YVTFVYNJSFEGLM-UHFFFAOYSA-N 1 1 292.448 3.087 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](C)CC ZINC001045826699 801287594 /nfs/dbraw/zinc/28/75/94/801287594.db2.gz DFXWSRZZPDNTQY-XHSDSOJGSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC=C(C)C ZINC001045827662 801287797 /nfs/dbraw/zinc/28/77/97/801287797.db2.gz RKQRZXVOGLXFNL-CVEARBPZSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](F)CC)C2 ZINC001045956681 801294627 /nfs/dbraw/zinc/29/46/27/801294627.db2.gz LTSWMZBITWRHHX-RDJZCZTQSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)c2ccc(Cl)o2)C1 ZINC001046144833 801300783 /nfs/dbraw/zinc/30/07/83/801300783.db2.gz RUMNCIKBDKNOEA-HNNXBMFYSA-N 1 1 296.798 3.093 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)c2ccccc2C)C1 ZINC001046114015 801301734 /nfs/dbraw/zinc/30/17/34/801301734.db2.gz SEZRWADUICLXAG-GOSISDBHSA-N 1 1 286.419 3.155 20 30 CGEDMO C=C1CCC(C(=O)N[C@]2(C)CC[N@H+](C/C=C/Cl)C2)CC1 ZINC001046593829 801316747 /nfs/dbraw/zinc/31/67/47/801316747.db2.gz AUBOPBDNRBQTHD-UOWSJYKBSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C1CCC(C(=O)N[C@]2(C)CC[N@@H+](C/C=C/Cl)C2)CC1 ZINC001046593829 801316756 /nfs/dbraw/zinc/31/67/56/801316756.db2.gz AUBOPBDNRBQTHD-UOWSJYKBSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(C(F)F)c2)C1 ZINC001046783664 801323340 /nfs/dbraw/zinc/32/33/40/801323340.db2.gz FYXKCVJRBGXQSM-MRXNPFEDSA-N 1 1 294.345 3.004 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001046861046 801330075 /nfs/dbraw/zinc/33/00/75/801330075.db2.gz RNSAXLCLCPDXBB-YJBOKZPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC(C)(C)C ZINC001049326084 801364794 /nfs/dbraw/zinc/36/47/94/801364794.db2.gz JMMVYUWPOPSOEA-GJZGRUSLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)=C1CCC1 ZINC001049466440 801372911 /nfs/dbraw/zinc/37/29/11/801372911.db2.gz FANGOXGVPIUSQD-IRXDYDNUSA-N 1 1 288.435 3.128 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC1(C)CCCC1 ZINC001049462668 801374362 /nfs/dbraw/zinc/37/43/62/801374362.db2.gz VVZJCJJAADLOHI-CVEARBPZSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCC ZINC001049644295 801380586 /nfs/dbraw/zinc/38/05/86/801380586.db2.gz IIHBHVZIYNDKQF-GJZGRUSLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)CC ZINC001049681675 801383503 /nfs/dbraw/zinc/38/35/03/801383503.db2.gz QFXPKAQLHMXPPP-GJZGRUSLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CCC)CC1 ZINC001049689647 801385168 /nfs/dbraw/zinc/38/51/68/801385168.db2.gz LGHZVGVPFZGHIL-DLBZAZTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CCC)CC1 ZINC001049689654 801385219 /nfs/dbraw/zinc/38/52/19/801385219.db2.gz LGHZVGVPFZGHIL-SJORKVTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC(C)(C)C1 ZINC001049701043 801386400 /nfs/dbraw/zinc/38/64/00/801386400.db2.gz YSPXBVLTXQSYJN-BZUAXINKSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CC[C@H](C)CC1 ZINC001049855786 801388344 /nfs/dbraw/zinc/38/83/44/801388344.db2.gz UJCLEAAYONRKON-QBPKDAKJSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(CC)CC ZINC001049904975 801393542 /nfs/dbraw/zinc/39/35/42/801393542.db2.gz UVGZVTGJCADJJE-GJZGRUSLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)C3CCCC3)[C@@H]2C1 ZINC001049950039 801396476 /nfs/dbraw/zinc/39/64/76/801396476.db2.gz SJJKYEZKWCUJRB-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](C)C(C)C)[C@@H]2C1 ZINC001050156291 801399442 /nfs/dbraw/zinc/39/94/42/801399442.db2.gz OMGWRCQAVMEPMC-IXDOHACOSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)CC2CCCC2)CC1 ZINC001052165960 801422718 /nfs/dbraw/zinc/42/27/18/801422718.db2.gz WQGPJPXHNMFGFE-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2coc(C)c2)CC1 ZINC001052336163 801430312 /nfs/dbraw/zinc/43/03/12/801430312.db2.gz LIJLFIOPCZGHMO-INIZCTEOSA-N 1 1 290.407 3.139 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2F)CC1 ZINC001052360023 801432023 /nfs/dbraw/zinc/43/20/23/801432023.db2.gz HZXZJLHYJOBFEX-GFCCVEGCSA-N 1 1 296.411 3.048 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2sccc2F)CC1 ZINC001052360024 801432841 /nfs/dbraw/zinc/43/28/41/801432841.db2.gz HZXZJLHYJOBFEX-LBPRGKRZSA-N 1 1 296.411 3.048 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC=CCCC2)CC1 ZINC001052485689 801436855 /nfs/dbraw/zinc/43/68/55/801436855.db2.gz BVURXGMABMDFSL-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@]2(C)C=CCC2)CC1 ZINC001052631028 801443068 /nfs/dbraw/zinc/44/30/68/801443068.db2.gz MKZJRWIRLNLQCL-SJLPKXTDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)C2CC2)CC1 ZINC001052642939 801444941 /nfs/dbraw/zinc/44/49/41/801444941.db2.gz DQGBIIVSYQSEDG-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC23CCC3)CC1 ZINC001052755984 801452097 /nfs/dbraw/zinc/45/20/97/801452097.db2.gz ZLBGMYUVACHLTC-HZPDHXFCSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)C23CCC(CC2)CC3)CC1 ZINC001052950269 801457135 /nfs/dbraw/zinc/45/71/35/801457135.db2.gz VMWSMXFVAUPCLG-UPTPFMHGSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C2(C)CCC(C)CC2)CC1 ZINC001052964275 801457686 /nfs/dbraw/zinc/45/76/86/801457686.db2.gz GSRXJCVKSFCTIF-PQUAAJSLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C(C)C)C2)C1 ZINC001053006073 801462750 /nfs/dbraw/zinc/46/27/50/801462750.db2.gz ICKUCMRDRLMHRW-DLBZAZTESA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC)C1 ZINC001053059543 801463629 /nfs/dbraw/zinc/46/36/29/801463629.db2.gz VSKSPUGUMATPMA-LSDHHAIUSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC)C1 ZINC001053057093 801464070 /nfs/dbraw/zinc/46/40/70/801464070.db2.gz HCFGHXWHOQWNIL-DLBZAZTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC)C1 ZINC001053059540 801464381 /nfs/dbraw/zinc/46/43/81/801464381.db2.gz VSKSPUGUMATPMA-CABCVRRESA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C(C)C)C1 ZINC001053073626 801468199 /nfs/dbraw/zinc/46/81/99/801468199.db2.gz XMQGIPXOPVOCHW-IRXDYDNUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C=C(C)C)C2 ZINC001054074239 801469702 /nfs/dbraw/zinc/46/97/02/801469702.db2.gz IDONBKMTEKDMTQ-INIZCTEOSA-N 1 1 296.842 3.020 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC1CCCC1)C2 ZINC001054076378 801472515 /nfs/dbraw/zinc/47/25/15/801472515.db2.gz CEAJNRYXSSIJMH-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1(C)CCC1)C2 ZINC001054178902 801477074 /nfs/dbraw/zinc/47/70/74/801477074.db2.gz MMKSCDHFTNBFDY-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO CCN(CCC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256552219 806915021 /nfs/dbraw/zinc/91/50/21/806915021.db2.gz ZUNMYWAQDUSHEB-SJLPKXTDSA-N 1 1 285.435 3.275 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2cccs2)CC[C@H]1C ZINC001071330819 801528052 /nfs/dbraw/zinc/52/80/52/801528052.db2.gz XYAFHQZPHRNQRA-ZIAGYGMSSA-N 1 1 292.448 3.297 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CC2=CCCCC2)CC[C@H]1C ZINC001071390521 801531656 /nfs/dbraw/zinc/53/16/56/801531656.db2.gz BJSDSUHWLSPMQO-WBVHZDCISA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2cc(C)c(C)o2)CC[C@@H]1C ZINC001071434055 801536052 /nfs/dbraw/zinc/53/60/52/801536052.db2.gz ADUVJTMXLPNSEM-DZGCQCFKSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccoc2Cl)CC[C@H]1C ZINC001071467479 801538310 /nfs/dbraw/zinc/53/83/10/801538310.db2.gz RTZWUBFYYGAWSE-NEPJUHHUSA-N 1 1 296.798 3.092 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2coc(C)c2)CC[C@@H]1C ZINC001071459174 801538365 /nfs/dbraw/zinc/53/83/65/801538365.db2.gz AWYZRGVBLXDTTL-XJKSGUPXSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2ccsc2C)CC[C@H]1C ZINC001071493310 801541220 /nfs/dbraw/zinc/54/12/20/801541220.db2.gz ACXZQGALWREUAX-TZMCWYRMSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)C(C)=C2CCC2)CC[C@@H]1C ZINC001071488130 801541560 /nfs/dbraw/zinc/54/15/60/801541560.db2.gz PUPQSUUOIKTHHQ-XJKSGUPXSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)c2ccc(CC)s2)CC[C@H]1C ZINC001071658352 801544941 /nfs/dbraw/zinc/54/49/41/801544941.db2.gz DUDVHKYOKVZYLK-CHWSQXEVSA-N 1 1 292.448 3.079 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CCC(C)C)C2)C1 ZINC001071803447 801553758 /nfs/dbraw/zinc/55/37/58/801553758.db2.gz MFRKTTNELJMAHQ-CVEARBPZSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2c(C)cccc2C)CC[C@H]1C ZINC001071844435 801554288 /nfs/dbraw/zinc/55/42/88/801554288.db2.gz MGOJGPOBWHNNOF-CVEARBPZSA-N 1 1 286.419 3.072 20 30 CGEDMO C#CC[N@H+]1C[C@H](NC(=O)c2ccc(C(C)C)cc2)CC[C@@H]1C ZINC001072011992 801558112 /nfs/dbraw/zinc/55/81/12/801558112.db2.gz HDNAHERPKRCGSF-MAUKXSAKSA-N 1 1 298.430 3.026 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C2(F)CCCCC2)CC[C@H]1C ZINC001071963745 801558201 /nfs/dbraw/zinc/55/82/01/801558201.db2.gz IIHQJVBPRGCAJW-HUUCEWRRSA-N 1 1 296.430 3.204 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(C)cc(C)c2)CC[C@@H]1C ZINC001072027069 801560015 /nfs/dbraw/zinc/56/00/15/801560015.db2.gz SVIWOCFNQIJISU-RDJZCZTQSA-N 1 1 286.419 3.072 20 30 CGEDMO C=C(C)C[N@H+]1CCC2(CN(C(=O)C3CCCCCC3)C2)C1 ZINC001072530810 801570957 /nfs/dbraw/zinc/57/09/57/801570957.db2.gz YQQDCWLYVLZSIY-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CC[N@@H+](CC=C(C)C)C2 ZINC001072945232 801575709 /nfs/dbraw/zinc/57/57/09/801575709.db2.gz XDZZRQRPQOJSCO-KRWDZBQOSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)c3c(C)cccc3C)C2)C1 ZINC001073008467 801577666 /nfs/dbraw/zinc/57/76/66/801577666.db2.gz CRGAUMLYYRCBSO-UHFFFAOYSA-N 1 1 298.430 3.027 20 30 CGEDMO C=C(C)C[N@H+]1CCC2(CN(C(=O)c3cc(C)cc(C)c3)C2)C1 ZINC001073148752 801580084 /nfs/dbraw/zinc/58/00/84/801580084.db2.gz FUSABYKFVZYVDN-UHFFFAOYSA-N 1 1 298.430 3.027 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)ccc2C2CC2)C1 ZINC001080189724 801649206 /nfs/dbraw/zinc/64/92/06/801649206.db2.gz IUBWDQQFNJMXIE-RDTXWAMCSA-N 1 1 298.430 3.109 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001079946788 801649353 /nfs/dbraw/zinc/64/93/53/801649353.db2.gz ZKOUXRRKQILJFW-BRWVUGGUSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001080672170 801654014 /nfs/dbraw/zinc/65/40/14/801654014.db2.gz LKEDRMWMXOPUQZ-QBPKDAKJSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1csc(C)c1C ZINC001085616297 801699176 /nfs/dbraw/zinc/69/91/76/801699176.db2.gz JLKQVEADUQRTGN-CQSZACIVSA-N 1 1 292.448 3.087 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CCC2(CC2)CC1 ZINC001085728160 801701444 /nfs/dbraw/zinc/70/14/44/801701444.db2.gz QIUDMZXNHKDYGE-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)sc1C ZINC001085706034 801702065 /nfs/dbraw/zinc/70/20/65/801702065.db2.gz FCHOUHZUWOQVJG-AWEZNQCLSA-N 1 1 292.448 3.087 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CC2(CCC2)C1 ZINC001085775428 801702642 /nfs/dbraw/zinc/70/26/42/801702642.db2.gz VUGIEPPATYBKGD-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC1(C)C ZINC001085773366 801703803 /nfs/dbraw/zinc/70/38/03/801703803.db2.gz ATIKUYDJTSUZTG-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CC(C(C)(C)C)C1 ZINC001085996530 801718446 /nfs/dbraw/zinc/71/84/46/801718446.db2.gz QHNNHSCUIGODQS-GPANFISMSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1coc2ccccc21 ZINC001086000184 801719415 /nfs/dbraw/zinc/71/94/15/801719415.db2.gz CTHUAZBCIRLXOQ-AWEZNQCLSA-N 1 1 298.386 3.155 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)o2)[C@H]1CC ZINC001087504297 801755645 /nfs/dbraw/zinc/75/56/45/801755645.db2.gz YYAULOWYSBXOGS-NWDGAFQWSA-N 1 1 296.798 3.092 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC2(C)C)[C@H]1CC ZINC001087691284 801761886 /nfs/dbraw/zinc/76/18/86/801761886.db2.gz JCTMIQABRDDQMK-HRCADAONSA-N 1 1 292.467 3.358 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C(C)C)cc2)[C@H]1CC ZINC001087807313 801767571 /nfs/dbraw/zinc/76/75/71/801767571.db2.gz DXUBCQKEDGAFRU-ZWKOTPCHSA-N 1 1 298.430 3.026 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)[C@H]1CC ZINC001087850397 801771005 /nfs/dbraw/zinc/77/10/05/801771005.db2.gz CNKOMKHXDRGASK-UONOGXRCSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2CCCCCC2)[C@H]1C ZINC001088487042 801797469 /nfs/dbraw/zinc/79/74/69/801797469.db2.gz LMZLGESIEKQTNY-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccsc2C)[C@H]1C ZINC001088559464 801800794 /nfs/dbraw/zinc/80/07/94/801800794.db2.gz PYKLUJYDKHTSNJ-DOMZBBRYSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C2CCCC2)[C@H]1C ZINC001088627508 801804405 /nfs/dbraw/zinc/80/44/05/801804405.db2.gz RPHOOTPIVXUHJR-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2sccc2CC)[C@H]1C ZINC001089057927 801818553 /nfs/dbraw/zinc/81/85/53/801818553.db2.gz SSJQIXDCBVDQSB-OCCSQVGLSA-N 1 1 292.448 3.079 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cccs2)CC(C)(C)C1 ZINC001089306930 801831456 /nfs/dbraw/zinc/83/14/56/801831456.db2.gz QMTSJHXJRRGEDC-ZDUSSCGKSA-N 1 1 292.448 3.155 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2CC=CC2)CC(C)(C)C1 ZINC001089346842 801833802 /nfs/dbraw/zinc/83/38/02/801833802.db2.gz HVHOQCBWVRJJLC-MRXNPFEDSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC2(C)C)CC(C)(C)C1 ZINC001089362280 801835561 /nfs/dbraw/zinc/83/55/61/801835561.db2.gz FGYVXVSBCHMLQG-GJZGRUSLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2(C)CC2)CC(C)(C)C1 ZINC001089395050 801837151 /nfs/dbraw/zinc/83/71/51/801837151.db2.gz SGJGQSJXKNRNEM-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO COc1cccc2c1CC[C@H]([N@@H+]1[C@@H]3CC[C@H]1C[C@H](C#N)C3)C2 ZINC001256654602 806941470 /nfs/dbraw/zinc/94/14/70/806941470.db2.gz PHXODAKDPAFYHB-LLLHUVSDSA-N 1 1 296.414 3.319 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(C)CC=CCC1)C2 ZINC001095461181 801882894 /nfs/dbraw/zinc/88/28/94/801882894.db2.gz BBJJGXDLTKLVEG-MUQADHOPSA-N 1 1 288.435 3.030 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C1CCCC1)C2 ZINC001096314249 801888357 /nfs/dbraw/zinc/88/83/57/801888357.db2.gz ZXHYBTJJZJHSCE-SIXLDLHFSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@]1(C)CC=C(C)CC1)C2 ZINC001096591059 801890819 /nfs/dbraw/zinc/89/08/19/801890819.db2.gz JLTWEHKMOGZPMK-MUQADHOPSA-N 1 1 288.435 3.030 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C)c(C)c1)C2 ZINC001098320627 801909977 /nfs/dbraw/zinc/90/99/77/801909977.db2.gz COCNMGCIEIFDGF-KURKYZTESA-N 1 1 298.430 3.215 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC(C)C ZINC001098966025 801922634 /nfs/dbraw/zinc/92/26/34/801922634.db2.gz FNZRVLLSTRRZHX-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCCC ZINC001098966540 801922826 /nfs/dbraw/zinc/92/28/26/801922826.db2.gz QENYQFOWYIGZFD-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1C/C=C/Cl ZINC001098965786 801922924 /nfs/dbraw/zinc/92/29/24/801922924.db2.gz BJGWEWLUMWMJIH-OAUONFCTSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)C1CC1 ZINC001099001911 801924775 /nfs/dbraw/zinc/92/47/75/801924775.db2.gz YAPVBVJSHPJMSI-GOEBONIOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1(C)CC1 ZINC001099085700 801927963 /nfs/dbraw/zinc/92/79/63/801927963.db2.gz QZBLXFPZTYVRLZ-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)C(C)C ZINC001099098211 801928630 /nfs/dbraw/zinc/92/86/30/801928630.db2.gz LXIQCQVHYMUVLI-OAHLLOKOSA-N 1 1 294.483 3.461 20 30 CGEDMO C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC(C)(C)CC ZINC001099085766 801929060 /nfs/dbraw/zinc/92/90/60/801929060.db2.gz SRCBDNQADMJQOC-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001099165057 801929889 /nfs/dbraw/zinc/92/98/89/801929889.db2.gz JREKZOLXKMOLMO-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CC)CCC1 ZINC001099224815 801934538 /nfs/dbraw/zinc/93/45/38/801934538.db2.gz IYLSWYTXVYZCAL-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@H]2CCC(C)(C)C[N@@H+]2CCC)C1 ZINC001099230589 801934901 /nfs/dbraw/zinc/93/49/01/801934901.db2.gz VZAHJOPOJRMJOX-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H](CNC(=O)C=C(C)C)[C@H](C)C1 ZINC001101699737 801987952 /nfs/dbraw/zinc/98/79/52/801987952.db2.gz PSGZDMIAPGLMAP-IAGOWNOFSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C=C2CCC2)[C@H](C)C1 ZINC001101874781 801993710 /nfs/dbraw/zinc/99/37/10/801993710.db2.gz XSXBGMGEOLGKSB-HLLBOEOZSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](CNC(=O)CC2(C)CCCC2)[C@H](C)C1 ZINC001101934821 801996360 /nfs/dbraw/zinc/99/63/60/801996360.db2.gz MZZVTQAJJDLLJT-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@@H]1C[N@@H+](CC=C(C)C)C[C@H]1C ZINC001102262982 802004347 /nfs/dbraw/zinc/00/43/47/802004347.db2.gz RGPAPGAMFZLHSD-BRWVUGGUSA-N 1 1 292.467 3.239 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H]1C[N@@H+](CC(=C)Cl)C[C@H]1C ZINC001102328648 802007060 /nfs/dbraw/zinc/00/70/60/802007060.db2.gz RPOZQLXYWJWTOC-XNRPHZJLSA-N 1 1 298.858 3.025 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@](C)(CC)CCC)[C@H](C)C1 ZINC001102484391 802008836 /nfs/dbraw/zinc/00/88/36/802008836.db2.gz HQWGXMFIAKIGTM-JFIYKMOQSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](CNC(=O)C[C@@H](C)CC(C)C)[C@H](C)C1 ZINC001102508506 802011453 /nfs/dbraw/zinc/01/14/53/802011453.db2.gz VESCLDAPPFOYMZ-GVDBMIGSSA-N 1 1 294.483 3.319 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC2)C1 ZINC001102631834 802015579 /nfs/dbraw/zinc/01/55/79/802015579.db2.gz UBFIVVMIMQYMMJ-NVXWUHKLSA-N 1 1 294.483 3.441 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)CCCC)C1 ZINC001102693267 802020328 /nfs/dbraw/zinc/02/03/28/802020328.db2.gz VLLIJSXLTYXLIL-BRWVUGGUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)CCCC)C1 ZINC001102937349 802024399 /nfs/dbraw/zinc/02/43/99/802024399.db2.gz WNJQNJIWWLDJOU-ARFHVFGLSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)CCC(=O)NCC[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1C ZINC001103041301 802026482 /nfs/dbraw/zinc/02/64/82/802026482.db2.gz FLGJPLXFVHOUSJ-JFCGUDLGSA-N 1 1 298.858 3.169 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1C ZINC001103314947 802028714 /nfs/dbraw/zinc/02/87/14/802028714.db2.gz HWFIOABEEACFQL-JFDUVMPXSA-N 1 1 298.858 3.025 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCF)C1 ZINC001103324159 802030614 /nfs/dbraw/zinc/03/06/14/802030614.db2.gz OEUSSCVLZXDVOS-BZUAXINKSA-N 1 1 298.446 3.165 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NCC[C@@H]1C[N@@H+](CC2CC2)C[C@H]1C ZINC001103345077 802031784 /nfs/dbraw/zinc/03/17/84/802031784.db2.gz ZSNYFEYBHRDRTC-BFYDXBDKSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)CCC)C1 ZINC001103582051 802036869 /nfs/dbraw/zinc/03/68/69/802036869.db2.gz WFBXPMSZCVBOFW-BRWVUGGUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)CC3CC3)CCC[C@@H]12 ZINC001107255033 802082042 /nfs/dbraw/zinc/08/20/42/802082042.db2.gz NYXHKJVJNCCCCD-SJLPKXTDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@]2(CNC(=O)CCC)CCC[C@@H]12 ZINC001107260225 802083077 /nfs/dbraw/zinc/08/30/77/802083077.db2.gz XISUZANHNLEENK-NVXWUHKLSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)CCC3(C)CC3)CCC[C@@H]12 ZINC001107595918 802091059 /nfs/dbraw/zinc/09/10/59/802091059.db2.gz PQCKIMIRCMYFMU-CRAIPNDOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)CCC=C ZINC001109055050 802106871 /nfs/dbraw/zinc/10/68/71/802106871.db2.gz MKPZUEJWLSWFNT-FZKCQIBNSA-N 1 1 276.424 3.029 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)C(C)C)C2 ZINC001109059082 802108210 /nfs/dbraw/zinc/10/82/10/802108210.db2.gz VOHZXLRYTVTJDV-NCOADZHNSA-N 1 1 292.467 3.356 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@H](C)F ZINC001109596081 802116060 /nfs/dbraw/zinc/11/60/60/802116060.db2.gz FINSZIMHKPCNMM-XGUBFFRZSA-N 1 1 296.430 3.058 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C/Cl ZINC001109634255 802121715 /nfs/dbraw/zinc/12/17/15/802121715.db2.gz IEMWBBVHGFNQCS-XYBASNKZSA-N 1 1 296.842 3.063 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C/C=C/Cl ZINC001109634255 802121720 /nfs/dbraw/zinc/12/17/20/802121720.db2.gz IEMWBBVHGFNQCS-XYBASNKZSA-N 1 1 296.842 3.063 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)CC(C)C)C2 ZINC001109964154 802129761 /nfs/dbraw/zinc/12/97/61/802129761.db2.gz CHBUCJUWZMQAFI-NCOADZHNSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CCC)CC(C)C)C2 ZINC001110174333 802132433 /nfs/dbraw/zinc/13/24/33/802132433.db2.gz XIQYDCHQNGUHAD-YVSFHVDLSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCCCC1)C2 ZINC001110245289 802133590 /nfs/dbraw/zinc/13/35/90/802133590.db2.gz LGXUMPAOVLXRJC-ZACQAIPSSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)CCC)C2 ZINC001110374831 802137611 /nfs/dbraw/zinc/13/76/11/802137611.db2.gz OHDSHLYKYCJWML-FPCVCCKLSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](C)CC(C)C ZINC001110378779 802139181 /nfs/dbraw/zinc/13/91/81/802139181.db2.gz HQXVDKLOZGDCAF-VQHPVUNQSA-N 1 1 292.467 3.356 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](C)CC ZINC001110609458 802146573 /nfs/dbraw/zinc/14/65/73/802146573.db2.gz GVQZEMRWTDTUMP-JJXSEGSLSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC(C)C ZINC001110898678 802148735 /nfs/dbraw/zinc/14/87/35/802148735.db2.gz PHZRDQYMSKHYDD-OAGGEKHMSA-N 1 1 292.467 3.356 20 30 CGEDMO C=C/C(C)=C\CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(=C)C ZINC001110914645 802148756 /nfs/dbraw/zinc/14/87/56/802148756.db2.gz JENGUIXNZKVLOH-QDYNMPMSSA-N 1 1 288.435 3.197 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C\Cl ZINC001110892213 802149107 /nfs/dbraw/zinc/14/91/07/802149107.db2.gz RATKNTOPECEEBB-FQXOTRPFSA-N 1 1 296.842 3.063 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C/C=C\Cl ZINC001110892213 802149110 /nfs/dbraw/zinc/14/91/10/802149110.db2.gz RATKNTOPECEEBB-FQXOTRPFSA-N 1 1 296.842 3.063 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC ZINC001110935064 802150003 /nfs/dbraw/zinc/15/00/03/802150003.db2.gz WFJAGMZLSJRCEF-JJXSEGSLSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)C(C)(C)C)C2 ZINC001111323305 802158195 /nfs/dbraw/zinc/15/81/95/802158195.db2.gz WPGXEKYSOMKFDT-FPCVCCKLSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC1CCCCC1)C2 ZINC001111343972 802158797 /nfs/dbraw/zinc/15/87/97/802158797.db2.gz LDXHQAXSANCMFZ-ZACQAIPSSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC/C=C/CC)C2 ZINC001111650255 802164536 /nfs/dbraw/zinc/16/45/36/802164536.db2.gz LCMCBEIKRNUOLD-LVPXMUDFSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)[C@H](C)[C@@H](C)C(C)(C)C)CC1 ZINC001113422472 802220233 /nfs/dbraw/zinc/22/02/33/802220233.db2.gz PLTNHMCHJRNBCW-HUUCEWRRSA-N 1 1 280.456 3.025 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)CC ZINC001113893452 802235029 /nfs/dbraw/zinc/23/50/29/802235029.db2.gz MAECSEYLLFAODX-WCVJEAGWSA-N 1 1 280.456 3.049 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)CCCC ZINC001113910820 802236137 /nfs/dbraw/zinc/23/61/37/802236137.db2.gz KPNFDKIQKXXUJJ-KBXIAJHMSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)CCCC ZINC001113910820 802236145 /nfs/dbraw/zinc/23/61/45/802236145.db2.gz KPNFDKIQKXXUJJ-KBXIAJHMSA-N 1 1 298.858 3.002 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(F)=C(C)C ZINC001114144843 802238626 /nfs/dbraw/zinc/23/86/26/802238626.db2.gz DPIWRBHSNDXITI-FOLVSLTJSA-N 1 1 294.414 3.043 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)C(CC)CC ZINC001114499650 802242883 /nfs/dbraw/zinc/24/28/83/802242883.db2.gz UTADFKCBALXQFL-SIXLDLHFSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](CCCC(C)C)C[C@H]21 ZINC001114724110 802243552 /nfs/dbraw/zinc/24/35/52/802243552.db2.gz GPFQFYVGFPLYPH-NCOADZHNSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCCC(C)C ZINC001115000236 802249221 /nfs/dbraw/zinc/24/92/21/802249221.db2.gz AVCZIMKTXXSDKP-VQFNDLOPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](CCSc2ccccc2F)C1 ZINC001116542447 802375053 /nfs/dbraw/zinc/37/50/53/802375053.db2.gz SFYUCKSVHNPCSR-CYBMUJFWSA-N 1 1 281.396 3.195 20 30 CGEDMO C[C@H](CCCC#N)[N@@H+](C)Cc1cnc(Cl)s1 ZINC001172490997 808351010 /nfs/dbraw/zinc/35/10/10/808351010.db2.gz BNGLQDJUADKQOU-SECBINFHSA-N 1 1 257.790 3.311 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](CC/C=C\c2ccccc2)C1 ZINC001117801086 802498936 /nfs/dbraw/zinc/49/89/36/802498936.db2.gz BWUFSILQNGTYCI-IVEQORNPSA-N 1 1 257.377 3.367 20 30 CGEDMO CC[N@H+]1CCC[C@@H](CNc2cccc(Cl)c2C#N)C1 ZINC001118579393 802585954 /nfs/dbraw/zinc/58/59/54/802585954.db2.gz GUAQKSNHPCFGNU-LBPRGKRZSA-N 1 1 277.799 3.355 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@]2(CCC[C@@H]2C(=O)NC(C)(C)C)C1 ZINC001277758856 809093149 /nfs/dbraw/zinc/09/31/49/809093149.db2.gz ZTHUSORPECZABU-CRAIPNDOSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CC[C@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC001118800967 802604958 /nfs/dbraw/zinc/60/49/58/802604958.db2.gz JIJNFNBCRBXVBG-IRXDYDNUSA-N 1 1 270.420 3.213 20 30 CGEDMO C#CC[C@H]([NH2+][C@H]1CCN(C)C(C)(C)C1)c1ccccc1 ZINC001118800967 802604968 /nfs/dbraw/zinc/60/49/68/802604968.db2.gz JIJNFNBCRBXVBG-IRXDYDNUSA-N 1 1 270.420 3.213 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)s1)[C@@H](CO)c1ccccc1 ZINC001119325381 802649275 /nfs/dbraw/zinc/64/92/75/802649275.db2.gz KWNWUYQLGYOJHV-INIZCTEOSA-N 1 1 286.400 3.175 20 30 CGEDMO C=CCN(CC1CCCCC1)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001126141632 803085496 /nfs/dbraw/zinc/08/54/96/803085496.db2.gz NNUJRSBFIMDNSV-QGZVFWFLSA-N 1 1 292.467 3.454 20 30 CGEDMO CC[N@H+]1CCc2cc(-c3ccc(N)c(C#N)c3)ccc2C1 ZINC001244114398 803193584 /nfs/dbraw/zinc/19/35/84/803193584.db2.gz QVNADCQBRHVILW-UHFFFAOYSA-N 1 1 277.371 3.185 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)CCC(C)C)CC[C@@H]1C ZINC001131788981 803346990 /nfs/dbraw/zinc/34/69/90/803346990.db2.gz ZUSNRWUSJFDPRK-JKSUJKDBSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)CSCCC)CC[C@H]1C ZINC001131904699 803354956 /nfs/dbraw/zinc/35/49/56/803354956.db2.gz VMPNTZXMQSXUDB-CABCVRRESA-N 1 1 298.496 3.065 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCCCC)C1 ZINC001131895120 803355616 /nfs/dbraw/zinc/35/56/16/803355616.db2.gz FWUHKVUAJFNNGV-GJZGRUSLSA-N 1 1 266.429 3.112 20 30 CGEDMO C#CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](CCC(C)(C)C)C1 ZINC001132003762 803366429 /nfs/dbraw/zinc/36/64/29/803366429.db2.gz ZLEBJIJDTBDNNM-HOTGVXAUSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CC[C@H](C)[N@H+](CCCF)C1 ZINC001132057023 803369982 /nfs/dbraw/zinc/36/99/82/803369982.db2.gz IXLFUYXAYXDKFF-HOCLYGCPSA-N 1 1 296.430 3.084 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(C)C)C1 ZINC001132057602 803370011 /nfs/dbraw/zinc/37/00/11/803370011.db2.gz RQKWXAZISISTIH-NVXWUHKLSA-N 1 1 292.467 3.380 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)C2(F)CCCC2)CC[C@H]1C ZINC001132143930 803375425 /nfs/dbraw/zinc/37/54/25/803375425.db2.gz BMMFVBMCSQAGKH-CABCVRRESA-N 1 1 296.430 3.204 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)CC(C)=C(C)C)CC[C@@H]1C ZINC001132223939 803381613 /nfs/dbraw/zinc/38/16/13/803381613.db2.gz IGVFPDHIRWHCKT-HOTGVXAUSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)C(C)(C)C(C)(C)C)CC[C@H]1C ZINC001132240547 803385494 /nfs/dbraw/zinc/38/54/94/803385494.db2.gz IPJDJWINZHIFEH-ZIAGYGMSSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C2(CCC=C)CC2)CC[C@@H]1C ZINC001132279034 803390921 /nfs/dbraw/zinc/39/09/21/803390921.db2.gz UAGUMJNQBFMHQQ-JKSUJKDBSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](NC(=O)CCCC(C)C)CC[C@@H]1C ZINC001132318332 803395662 /nfs/dbraw/zinc/39/56/62/803395662.db2.gz NHFWFHSURRRUIM-HOTGVXAUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCCC(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC001132618553 803420719 /nfs/dbraw/zinc/42/07/19/803420719.db2.gz BMCKGWZTYXEKJF-MRXNPFEDSA-N 1 1 278.440 3.256 20 30 CGEDMO C#Cc1cccc(N(CC)C(=O)[C@H]2CCC[N@H+](CCC)C2)c1 ZINC001136643307 803648568 /nfs/dbraw/zinc/64/85/68/803648568.db2.gz GMBQWXTYKBSRPG-KRWDZBQOSA-N 1 1 298.430 3.143 20 30 CGEDMO N#CCOc1ccc(C[N@@H+]2CCC[C@H](C(F)F)C2)cc1 ZINC001137120566 803684841 /nfs/dbraw/zinc/68/48/41/803684841.db2.gz UKKYLZANJABYJE-ZDUSSCGKSA-N 1 1 280.318 3.066 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1cc2ccccc2[nH]c1=O ZINC001137186542 803694409 /nfs/dbraw/zinc/69/44/09/803694409.db2.gz YHXJULDKXUSDED-UHFFFAOYSA-N 1 1 269.348 3.066 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1cc2ccccc2[nH]c1=O ZINC001137186542 803694410 /nfs/dbraw/zinc/69/44/10/803694410.db2.gz YHXJULDKXUSDED-UHFFFAOYSA-N 1 1 269.348 3.066 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2cnc3ccccc3c2)CC1 ZINC001137282601 803707666 /nfs/dbraw/zinc/70/76/66/803707666.db2.gz DWWVDDGQRYMZJL-AWEZNQCLSA-N 1 1 265.360 3.360 20 30 CGEDMO N#Cc1cccc(C2CC[NH+](Cc3cscn3)CC2)c1 ZINC001137596171 803742427 /nfs/dbraw/zinc/74/24/27/803742427.db2.gz JDDCRGRDWMSKQT-UHFFFAOYSA-N 1 1 283.400 3.394 20 30 CGEDMO N#Cc1ccc(-c2ccccc2CN2CCC([NH3+])CC2)cc1 ZINC001245497436 803768611 /nfs/dbraw/zinc/76/86/11/803768611.db2.gz DWSUMOPIKTYDMU-UHFFFAOYSA-N 1 1 291.398 3.148 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2cccc(-c3cncnc3)c2)CC1 ZINC001137770262 803771012 /nfs/dbraw/zinc/77/10/12/803771012.db2.gz DRVNQJHKIHYGIR-OAHLLOKOSA-N 1 1 292.386 3.269 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cc3c(cc2Cl)OCO3)C1 ZINC001138244015 803877178 /nfs/dbraw/zinc/87/71/78/803877178.db2.gz SKBIAIJCJSQBRA-LLVKDONJSA-N 1 1 292.766 3.194 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2cc3c(cc2Cl)OCO3)C1 ZINC001138244015 803877187 /nfs/dbraw/zinc/87/71/87/803877187.db2.gz SKBIAIJCJSQBRA-LLVKDONJSA-N 1 1 292.766 3.194 20 30 CGEDMO OC[C@@H]1CCC[N@H+]1Cc1ccc(C#Cc2ccccc2)cc1 ZINC001138335370 803897350 /nfs/dbraw/zinc/89/73/50/803897350.db2.gz OJPGZTJHJSFTBZ-FQEVSTJZSA-N 1 1 291.394 3.043 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCCC3(CCC3)C2)cc1OC ZINC001138346545 803898142 /nfs/dbraw/zinc/89/81/42/803898142.db2.gz HVDLMEAUMVUDRN-UHFFFAOYSA-N 1 1 299.414 3.473 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CC[C@@H](C)C[C@H]2C)cc1OC ZINC001138349428 803901290 /nfs/dbraw/zinc/90/12/90/803901290.db2.gz YWGDEJPFKPJDRE-HUUCEWRRSA-N 1 1 287.403 3.328 20 30 CGEDMO COc1c(F)cc(C[NH+]2CCC(CC#N)CC2)cc1F ZINC001138425550 803930895 /nfs/dbraw/zinc/93/08/95/803930895.db2.gz XQFNAUMJFHEPNW-UHFFFAOYSA-N 1 1 280.318 3.099 20 30 CGEDMO COc1cc(C)c(C[N@H+]2CCC[C@@H](C#N)CC2)cc1OC ZINC001138442326 803937995 /nfs/dbraw/zinc/93/79/95/803937995.db2.gz LOXQOGZPSLZQST-CQSZACIVSA-N 1 1 288.391 3.138 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccncc1NC(=O)C(C)(C)C ZINC001138456208 803941339 /nfs/dbraw/zinc/94/13/39/803941339.db2.gz NVFRJXIVDPEQMR-UHFFFAOYSA-N 1 1 289.423 3.464 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2C)cc1 ZINC001138558830 803968892 /nfs/dbraw/zinc/96/88/92/803968892.db2.gz JQHQPHDODZGBPV-HUUCEWRRSA-N 1 1 257.377 3.319 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001138661484 803994874 /nfs/dbraw/zinc/99/48/74/803994874.db2.gz AFIQJOYKXMPPHJ-QAPCUYQASA-N 1 1 287.403 3.252 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccccc2OCC(=C)C)C1 ZINC001138665886 803998692 /nfs/dbraw/zinc/99/86/92/803998692.db2.gz ZMCDJXZUYLFNGL-MRXNPFEDSA-N 1 1 269.388 3.487 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2c(c1)CCCO2 ZINC001138718763 804015701 /nfs/dbraw/zinc/01/57/01/804015701.db2.gz KWEDJTYMMMYFDW-XGBSXSJOSA-N 1 1 282.387 3.278 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3)c2)CC1 ZINC001138766732 804034536 /nfs/dbraw/zinc/03/45/36/804034536.db2.gz YWOXXMJCTSVGHZ-MRXNPFEDSA-N 1 1 294.402 3.057 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OCCO)cc1)C1CCCCC1 ZINC001138803766 804043214 /nfs/dbraw/zinc/04/32/14/804043214.db2.gz WAFXSPHITDKHTN-UHFFFAOYSA-N 1 1 289.419 3.378 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[NH2+][C@@H]1CCC[C@H]1N ZINC001245996483 804094592 /nfs/dbraw/zinc/09/45/92/804094592.db2.gz VQFMRDWWMMLTPP-GVDBMIGSSA-N 1 1 284.488 3.348 20 30 CGEDMO CCCCCCCCCCC[NH2+]C[C@]1(O)CCCNC1 ZINC001246000230 804096976 /nfs/dbraw/zinc/09/69/76/804096976.db2.gz IARIAWFFNFBDQZ-QGZVFWFLSA-N 1 1 284.488 3.221 20 30 CGEDMO CCCCCCCCCC[N@H+](C)C[C@]1(O)CCCNC1 ZINC001246061198 804104403 /nfs/dbraw/zinc/10/44/03/804104403.db2.gz IQEWOGDIGSJXDQ-KRWDZBQOSA-N 1 1 284.488 3.173 20 30 CGEDMO CCCCCCCCCC[N@@H+](C)C[C@]1(O)CCCNC1 ZINC001246061198 804104407 /nfs/dbraw/zinc/10/44/07/804104407.db2.gz IQEWOGDIGSJXDQ-KRWDZBQOSA-N 1 1 284.488 3.173 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@H](C(C)=O)C1 ZINC001139030883 804114461 /nfs/dbraw/zinc/11/44/61/804114461.db2.gz WTVDKFYUFVEHEZ-HNNXBMFYSA-N 1 1 273.376 3.052 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCn2cccc2C1 ZINC001139029709 804115011 /nfs/dbraw/zinc/11/50/11/804115011.db2.gz IDEKZRSLGRPMFH-UHFFFAOYSA-N 1 1 268.360 3.069 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCn2cccc2C1 ZINC001139029709 804115013 /nfs/dbraw/zinc/11/50/13/804115013.db2.gz IDEKZRSLGRPMFH-UHFFFAOYSA-N 1 1 268.360 3.069 20 30 CGEDMO COc1ccc2c(c1)c(C[N@H+]1CCC[C@@H](C#N)CC1)cn2C ZINC001139147762 804138097 /nfs/dbraw/zinc/13/80/97/804138097.db2.gz PBLSOOCJNOVUGO-CQSZACIVSA-N 1 1 297.402 3.313 20 30 CGEDMO C=C1C[C@@H]2CC([NH2+]C[C@H]3CC[C@@H](C)CN3)C[C@H](C1)C2 ZINC001246109529 804141153 /nfs/dbraw/zinc/14/11/53/804141153.db2.gz XWCUMKNNAJHXLE-KYEPVHRCSA-N 1 1 262.441 3.099 20 30 CGEDMO O=C1C=C2C[N@@H+](Cc3ccc4cccnc4c3)CC[C@H]2S1 ZINC001139169739 804148122 /nfs/dbraw/zinc/14/81/22/804148122.db2.gz FAWKMFSQGLGRME-MRXNPFEDSA-N 1 1 296.395 3.009 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3ccc4cccnc4c3)CC[C@H]2S1 ZINC001139169739 804148126 /nfs/dbraw/zinc/14/81/26/804148126.db2.gz FAWKMFSQGLGRME-MRXNPFEDSA-N 1 1 296.395 3.009 20 30 CGEDMO CCCCCCCCCC[C@@H](C)[NH2+][C@@H]1CCNC[C@@H]1O ZINC001246217123 804212440 /nfs/dbraw/zinc/21/24/40/804212440.db2.gz DEJUUZREIOYSIW-ZACQAIPSSA-N 1 1 284.488 3.218 20 30 CGEDMO CCCCCCCCC[C@@H](C)[NH2+]C[C@@]1(O)CCCNC1 ZINC001246235458 804228034 /nfs/dbraw/zinc/22/80/34/804228034.db2.gz YBJYLSZIXUAIFZ-IAGOWNOFSA-N 1 1 284.488 3.220 20 30 CGEDMO CCCCCCC[C@H](CC(C)C)[NH2+][C@H]1CN[C@@H](CO)C1 ZINC001246262733 804243496 /nfs/dbraw/zinc/24/34/96/804243496.db2.gz QASMBYATFWMUCY-BRWVUGGUSA-N 1 1 284.488 3.074 20 30 CGEDMO C#Cc1cccc(CN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC001246262602 804244369 /nfs/dbraw/zinc/24/43/69/804244369.db2.gz ITEQXVIPLHLPAT-VQTJNVASSA-N 1 1 290.410 3.251 20 30 CGEDMO N#Cc1cccc2c(C[N@H+]3CCCC34CC4)c[nH]c21 ZINC001139702112 804259081 /nfs/dbraw/zinc/25/90/81/804259081.db2.gz WGJPRHLCXDKRAL-UHFFFAOYSA-N 1 1 251.333 3.168 20 30 CGEDMO C=CCn1cc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)cn1 ZINC001139770070 804278181 /nfs/dbraw/zinc/27/81/81/804278181.db2.gz BMTMHFFCPFKRCS-QGZVFWFLSA-N 1 1 299.443 3.359 20 30 CGEDMO C=CCn1cc(C[N@H+]2CCSC[C@@H]2c2ccccc2)cn1 ZINC001139770070 804278188 /nfs/dbraw/zinc/27/81/88/804278188.db2.gz BMTMHFFCPFKRCS-QGZVFWFLSA-N 1 1 299.443 3.359 20 30 CGEDMO C=CCn1cc(C[N@@H+]2CC[C@@H](c3ccccc3F)C2)cn1 ZINC001139770660 804278330 /nfs/dbraw/zinc/27/83/30/804278330.db2.gz VYSWEHCDTRETQB-OAHLLOKOSA-N 1 1 285.366 3.198 20 30 CGEDMO C=CCn1cc(C[N@H+]2CCC[C@H](Oc3ccccc3)C2)cn1 ZINC001139770300 804278566 /nfs/dbraw/zinc/27/85/66/804278566.db2.gz LIGSIFLZEIHPET-SFHVURJKSA-N 1 1 297.402 3.113 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)cc(C#N)c1 ZINC001139874776 804306652 /nfs/dbraw/zinc/30/66/52/804306652.db2.gz LQMATULSQRAICK-UHFFFAOYSA-N 1 1 279.318 3.201 20 30 CGEDMO C#CC1(N[C@@H]2CC[NH2+][C@H](Cc3ccccc3)C2)CCCCC1 ZINC001246461080 804341368 /nfs/dbraw/zinc/34/13/68/804341368.db2.gz BYIZZIAUCLSUGT-RTBURBONSA-N 1 1 296.458 3.275 20 30 CGEDMO N#Cc1ccc2[nH]cc(C[N@H+]3CC[C@H]4CCCO[C@H]4C3)c2c1 ZINC001140110783 804380560 /nfs/dbraw/zinc/38/05/60/804380560.db2.gz STYJUIKFMAOLDM-KDOFPFPSSA-N 1 1 295.386 3.040 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2ccccc2-c2cccnc2)C1 ZINC001140320850 804412163 /nfs/dbraw/zinc/41/21/63/804412163.db2.gz QBIWBRUGLHYCMK-OAHLLOKOSA-N 1 1 277.371 3.484 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2ccccc2-c2cccnc2)C1 ZINC001140320850 804412166 /nfs/dbraw/zinc/41/21/66/804412166.db2.gz QBIWBRUGLHYCMK-OAHLLOKOSA-N 1 1 277.371 3.484 20 30 CGEDMO C[C@@H]1CNC[C@H](C)[N@@H+]1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246587318 804429612 /nfs/dbraw/zinc/42/96/12/804429612.db2.gz RGYFKSVNBVBDBJ-MYMYQCDVSA-N 1 1 297.446 3.267 20 30 CGEDMO C[C@@H]1C[NH2+]C[C@H](C)N1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246587318 804429615 /nfs/dbraw/zinc/42/96/15/804429615.db2.gz RGYFKSVNBVBDBJ-MYMYQCDVSA-N 1 1 297.446 3.267 20 30 CGEDMO CCCCCCC[C@@H](CC(C)C)[N@H+]1CCNC[C@@H](O)C1 ZINC001246601804 804439256 /nfs/dbraw/zinc/43/92/56/804439256.db2.gz NLMYWYLTVKLMBI-DLBZAZTESA-N 1 1 284.488 3.028 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)cn1 ZINC001140540328 804456367 /nfs/dbraw/zinc/45/63/67/804456367.db2.gz RPIBEHUOYPKNTJ-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)cn1 ZINC001140540328 804456368 /nfs/dbraw/zinc/45/63/68/804456368.db2.gz RPIBEHUOYPKNTJ-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO CC1(C#N)CC[NH+](Cc2ccc(OC(F)F)c(O)c2)CC1 ZINC001140630422 804478164 /nfs/dbraw/zinc/47/81/64/804478164.db2.gz UIGZZIZTUOQLAD-UHFFFAOYSA-N 1 1 296.317 3.119 20 30 CGEDMO CCCCCCCC[C@H](CCC)[N@H+]1CCNC[C@H]1CO ZINC001246700276 804499561 /nfs/dbraw/zinc/49/95/61/804499561.db2.gz PHUKRCDQWISORV-IRXDYDNUSA-N 1 1 284.488 3.172 20 30 CGEDMO C[C@@]1(CF)CC[N@H+](Cc2cc(F)c(C#N)c(F)c2)C1 ZINC001140751697 804504262 /nfs/dbraw/zinc/50/42/62/804504262.db2.gz BDZYPOHDUQZXHP-AWEZNQCLSA-N 1 1 268.282 3.018 20 30 CGEDMO C[C@@]1(CF)CC[N@@H+](Cc2cc(F)c(C#N)c(F)c2)C1 ZINC001140751697 804504268 /nfs/dbraw/zinc/50/42/68/804504268.db2.gz BDZYPOHDUQZXHP-AWEZNQCLSA-N 1 1 268.282 3.018 20 30 CGEDMO N#Cc1c(F)cc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)cc1F ZINC001140752366 804504871 /nfs/dbraw/zinc/50/48/71/804504871.db2.gz KQKOTWFANXUTQZ-CHWSQXEVSA-N 1 1 276.330 3.458 20 30 CGEDMO N#Cc1c(F)cc(C[N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)cc1F ZINC001140752251 804505281 /nfs/dbraw/zinc/50/52/81/804505281.db2.gz IFULXQPYBLLHCL-PHIMTYICSA-N 1 1 298.283 3.314 20 30 CGEDMO CC[C@H]1C[N@@H+](C2CCC(C#N)(c3ccccc3)CC2)CCN1 ZINC001246800805 804521794 /nfs/dbraw/zinc/52/17/94/804521794.db2.gz FAJIGICVQSBRLF-VIQWUECVSA-N 1 1 297.446 3.074 20 30 CGEDMO CC[C@H]1C[N@H+](C2CCC(C#N)(c3ccccc3)CC2)CCN1 ZINC001246800805 804521802 /nfs/dbraw/zinc/52/18/02/804521802.db2.gz FAJIGICVQSBRLF-VIQWUECVSA-N 1 1 297.446 3.074 20 30 CGEDMO CN1CC[N@H+](C2CCC(C#N)CC2)C[C@H]1c1ccccc1 ZINC001256968769 807019646 /nfs/dbraw/zinc/01/96/46/807019646.db2.gz MHXSPWOXSORUBT-VJFUWPCTSA-N 1 1 283.419 3.057 20 30 CGEDMO C[C@H]1C[C@H](N)C[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001246864252 804568537 /nfs/dbraw/zinc/56/85/37/804568537.db2.gz SFWWAHFOYSHALG-JOFJAFTHSA-N 1 1 297.446 3.254 20 30 CGEDMO C[C@H]1C[C@H]([NH3+])CN(C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001246864252 804568542 /nfs/dbraw/zinc/56/85/42/804568542.db2.gz SFWWAHFOYSHALG-JOFJAFTHSA-N 1 1 297.446 3.254 20 30 CGEDMO CN(C)c1ccc(C[N@@H+](C)C2CCC(C#N)CC2)cc1 ZINC001256972541 807021399 /nfs/dbraw/zinc/02/13/99/807021399.db2.gz ZRDKMWAJGYUCDQ-UHFFFAOYSA-N 1 1 271.408 3.267 20 30 CGEDMO C=CC[N@@H+](C)Cc1ccncc1NC(=O)OC(C)(C)C ZINC001141086409 804587113 /nfs/dbraw/zinc/58/71/13/804587113.db2.gz AWKIFVWWUAYPNN-UHFFFAOYSA-N 1 1 277.368 3.046 20 30 CGEDMO C=CC[N@H+](C)Cc1ccncc1NC(=O)OC(C)(C)C ZINC001141086409 804587120 /nfs/dbraw/zinc/58/71/20/804587120.db2.gz AWKIFVWWUAYPNN-UHFFFAOYSA-N 1 1 277.368 3.046 20 30 CGEDMO C[N@@H+](Cc1sc(N)c(C#N)c1Cl)C(C)(C)C ZINC001141112251 804591987 /nfs/dbraw/zinc/59/19/87/804591987.db2.gz VQIHPBIUFGGOQG-UHFFFAOYSA-N 1 1 257.790 3.086 20 30 CGEDMO N#Cc1c(N)sc(C[N@H+]2CCC[C@H](CF)C2)c1Cl ZINC001141111963 804592369 /nfs/dbraw/zinc/59/23/69/804592369.db2.gz KEMRRDHIRMCWEZ-MRVPVSSYSA-N 1 1 287.791 3.037 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@@H+]1CC[C@@](F)(CN)C1 ZINC001246947111 804613568 /nfs/dbraw/zinc/61/35/68/804613568.db2.gz VKNJLYLXKGUYFW-HUUCEWRRSA-N 1 1 258.425 3.498 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CC[C@@](F)(CN)C1 ZINC001246947111 804613571 /nfs/dbraw/zinc/61/35/71/804613571.db2.gz VKNJLYLXKGUYFW-HUUCEWRRSA-N 1 1 258.425 3.498 20 30 CGEDMO CC(C)C[N@H+]([C@@H](C)Cc1ccc(C#N)cc1)[C@@H]1CCCNC1 ZINC001246952664 804616083 /nfs/dbraw/zinc/61/60/83/804616083.db2.gz LRAVICDMAPWPME-QFBILLFUSA-N 1 1 299.462 3.199 20 30 CGEDMO CC(C)C[N@@H+]([C@@H](C)Cc1ccc(C#N)cc1)[C@@H]1CCCNC1 ZINC001246952664 804616087 /nfs/dbraw/zinc/61/60/87/804616087.db2.gz LRAVICDMAPWPME-QFBILLFUSA-N 1 1 299.462 3.199 20 30 CGEDMO C[N@H+](Cc1ccc(C#Cc2ccccc2)s1)CC1COC1 ZINC001141977936 804683261 /nfs/dbraw/zinc/68/32/61/804683261.db2.gz UEQKLPPJXGBCTE-UHFFFAOYSA-N 1 1 297.423 3.226 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1cccc2[nH]cnc21 ZINC001142686662 804755933 /nfs/dbraw/zinc/75/59/33/804755933.db2.gz GTMAHBCSACORGM-UHFFFAOYSA-N 1 1 256.353 3.079 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1cccc2[nH]cnc21 ZINC001142686662 804755939 /nfs/dbraw/zinc/75/59/39/804755939.db2.gz GTMAHBCSACORGM-UHFFFAOYSA-N 1 1 256.353 3.079 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2ccc(C)c(F)c2F)no1 ZINC001247621858 804781502 /nfs/dbraw/zinc/78/15/02/804781502.db2.gz BANDGZKNCMMJLK-JTQLQIEISA-N 1 1 279.290 3.289 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cc(C)c(F)cc2F)no1 ZINC001247621975 804783157 /nfs/dbraw/zinc/78/31/57/804783157.db2.gz CHSOOMARRVWPGB-GFCCVEGCSA-N 1 1 279.290 3.289 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2cccc(F)c2C)no1 ZINC001247622071 804783533 /nfs/dbraw/zinc/78/35/33/804783533.db2.gz FAPRTPFQWVMFET-LBPRGKRZSA-N 1 1 261.300 3.150 20 30 CGEDMO N#Cc1ccc2c(C[N@H+]3CC[C@@]4(C3)CCCOC4)c[nH]c2c1 ZINC001142922587 804784344 /nfs/dbraw/zinc/78/43/44/804784344.db2.gz NBIJMXYHFHHKJT-GOSISDBHSA-N 1 1 295.386 3.042 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc2n[nH]cc21 ZINC001143091550 804800430 /nfs/dbraw/zinc/80/04/30/804800430.db2.gz MXEFPWWWUQBKKS-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO CC1CC([N@H+](C)Cc2c(F)ccc(C#N)c2F)C1 ZINC001143165238 804814717 /nfs/dbraw/zinc/81/47/17/804814717.db2.gz WLUWSFXOTVSMEW-UHFFFAOYSA-N 1 1 250.292 3.067 20 30 CGEDMO CC1CC([N@@H+](C)Cc2c(F)ccc(C#N)c2F)C1 ZINC001143165238 804814724 /nfs/dbraw/zinc/81/47/24/804814724.db2.gz WLUWSFXOTVSMEW-UHFFFAOYSA-N 1 1 250.292 3.067 20 30 CGEDMO CC(C)[N@@H+](Cc1c(F)ccc(C#N)c1F)C1CCOCC1 ZINC001143178440 804816708 /nfs/dbraw/zinc/81/67/08/804816708.db2.gz FAVNWVBBBYYOMH-UHFFFAOYSA-N 1 1 294.345 3.226 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)Cc1ccc(C)nc1N ZINC001143208198 804821755 /nfs/dbraw/zinc/82/17/55/804821755.db2.gz DCRCCHYESUULII-UHFFFAOYSA-N 1 1 267.376 3.160 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(C)nc1N ZINC001143208198 804821761 /nfs/dbraw/zinc/82/17/61/804821761.db2.gz DCRCCHYESUULII-UHFFFAOYSA-N 1 1 267.376 3.160 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(F)c(F)cc1OC ZINC001143400107 804847874 /nfs/dbraw/zinc/84/78/74/804847874.db2.gz NYYOGXZKHCSPQC-UHFFFAOYSA-N 1 1 255.308 3.371 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC001247967592 804858665 /nfs/dbraw/zinc/85/86/65/804858665.db2.gz OLFNYYOFWLABIS-JTQLQIEISA-N 1 1 283.253 3.331 20 30 CGEDMO Cc1cc(-c2noc(C[N@H+](C)C3CCCC3)n2)ccc1C#N ZINC001248140566 804886130 /nfs/dbraw/zinc/88/61/30/804886130.db2.gz UBTMCSOOGSGJKU-UHFFFAOYSA-N 1 1 296.374 3.291 20 30 CGEDMO N#Cc1cccc(Cl)c1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001143716068 804887609 /nfs/dbraw/zinc/88/76/09/804887609.db2.gz CNCCRQKOTJQUAX-BETUJISGSA-N 1 1 260.768 3.444 20 30 CGEDMO N#Cc1cccc(Cl)c1C[N@@H+]1C[C@@H]2CCCC(=O)[C@H]2C1 ZINC001143734357 804888615 /nfs/dbraw/zinc/88/86/15/804888615.db2.gz LBJUYFBIYVINGH-JSGCOSHPSA-N 1 1 288.778 3.013 20 30 CGEDMO N#Cc1cccc(Cl)c1C[N@H+]1C[C@@H]2CCCC(=O)[C@H]2C1 ZINC001143734357 804888623 /nfs/dbraw/zinc/88/86/23/804888623.db2.gz LBJUYFBIYVINGH-JSGCOSHPSA-N 1 1 288.778 3.013 20 30 CGEDMO N#Cc1cccc(Cl)c1C[N@H+]1CCC[C@@H](CF)C1 ZINC001143726351 804888822 /nfs/dbraw/zinc/88/88/22/804888822.db2.gz NIFCUTMFWYKESU-NSHDSACASA-N 1 1 266.747 3.393 20 30 CGEDMO N#Cc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](CF)C1 ZINC001143726351 804888829 /nfs/dbraw/zinc/88/88/29/804888829.db2.gz NIFCUTMFWYKESU-NSHDSACASA-N 1 1 266.747 3.393 20 30 CGEDMO N#Cc1cccc(Cl)c1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC001143731306 804889540 /nfs/dbraw/zinc/88/95/40/804889540.db2.gz RWZLUGYFDAZKBM-INIZCTEOSA-N 1 1 290.794 3.214 20 30 CGEDMO N#Cc1cccc(Cl)c1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC001143731306 804889549 /nfs/dbraw/zinc/88/95/49/804889549.db2.gz RWZLUGYFDAZKBM-INIZCTEOSA-N 1 1 290.794 3.214 20 30 CGEDMO C[C@@H](c1nc(-c2ccc(C#N)c3ccccc23)no1)[NH+](C)C ZINC001248267306 804905592 /nfs/dbraw/zinc/90/55/92/804905592.db2.gz AHNGNYIIENZHJJ-NSHDSACASA-N 1 1 292.342 3.384 20 30 CGEDMO CCOc1c(F)cc(C[N@@H+]2CCC[C@H](C#N)CC2)cc1F ZINC001144030501 804928025 /nfs/dbraw/zinc/92/80/25/804928025.db2.gz AQIOFYBRLHPQGW-LBPRGKRZSA-N 1 1 294.345 3.489 20 30 CGEDMO CCOc1c(F)cc(C[N@H+]2CCC[C@H](C#N)CC2)cc1F ZINC001144030501 804928029 /nfs/dbraw/zinc/92/80/29/804928029.db2.gz AQIOFYBRLHPQGW-LBPRGKRZSA-N 1 1 294.345 3.489 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@@H+]1CCn2cccc2[C@H]1C ZINC001248752047 804984021 /nfs/dbraw/zinc/98/40/21/804984021.db2.gz UYOMKLOPMAGWPD-CQSZACIVSA-N 1 1 279.387 3.499 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCn2cccc2[C@H]1C ZINC001248752047 804984023 /nfs/dbraw/zinc/98/40/23/804984023.db2.gz UYOMKLOPMAGWPD-CQSZACIVSA-N 1 1 279.387 3.499 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ncc(C(F)(F)F)cc2F)C1 ZINC001248790264 804992134 /nfs/dbraw/zinc/99/21/34/804992134.db2.gz JPBGPXORWNGDRQ-SNVBAGLBSA-N 1 1 286.272 3.085 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ncc(C(F)(F)F)cc2F)C1 ZINC001248790264 804992137 /nfs/dbraw/zinc/99/21/37/804992137.db2.gz JPBGPXORWNGDRQ-SNVBAGLBSA-N 1 1 286.272 3.085 20 30 CGEDMO C#Cc1ccc(C[N@H+](CCC)C2CCOCC2)cc1 ZINC001144578354 805009073 /nfs/dbraw/zinc/00/90/73/805009073.db2.gz BOSYTCRJIFZBRZ-UHFFFAOYSA-N 1 1 257.377 3.059 20 30 CGEDMO CCC[N@@H+](Cc1cnn2ccc(C#N)cc12)[C@H](C)CC ZINC001249082501 805085618 /nfs/dbraw/zinc/08/56/18/805085618.db2.gz VVFBQVQOHCDEHJ-CYBMUJFWSA-N 1 1 270.380 3.216 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)C[C@@H](C)CCC)C2)C1 ZINC001147211442 805115823 /nfs/dbraw/zinc/11/58/23/805115823.db2.gz BAONRJGYPWTNCY-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(Br)C[C@@H]([NH3+])c1nc(-c2ccccc2)no1 ZINC001249255926 805120974 /nfs/dbraw/zinc/12/09/74/805120974.db2.gz GWJFLEUKKMETPY-SNVBAGLBSA-N 1 1 294.152 3.035 20 30 CGEDMO C=CC[N@@H+]1CCC2(CN(C(=O)CCC[C@@H](C)CCC)C2)C1 ZINC001147625045 805140029 /nfs/dbraw/zinc/14/00/29/805140029.db2.gz NHYHXLWXUSFSGZ-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)CCC(=C)C)C2)C1 ZINC001147639787 805142024 /nfs/dbraw/zinc/14/20/24/805142024.db2.gz AOQNQGXUFXLHLW-INIZCTEOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CCC(=O)N1CC2(C1)CC[N@H+](CC/C=C\CC)C2 ZINC001147639895 805142219 /nfs/dbraw/zinc/14/22/19/805142219.db2.gz GLEUNLOATIZYGG-WAYWQWQTSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC2(C1)CC[N@H+](CCCCC)C2 ZINC001148024366 805160200 /nfs/dbraw/zinc/16/02/00/805160200.db2.gz JUJDCZOHTOQSNY-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+](C)Cc1nc2cc(OC(F)(F)F)ccc2[nH]1 ZINC001249533356 805168592 /nfs/dbraw/zinc/16/85/92/805168592.db2.gz YFXHFFNVWNRQTK-UHFFFAOYSA-N 1 1 285.269 3.079 20 30 CGEDMO C=CC[N@H+](C)Cc1nc2cc(OC(F)(F)F)ccc2[nH]1 ZINC001249533356 805168597 /nfs/dbraw/zinc/16/85/97/805168597.db2.gz YFXHFFNVWNRQTK-UHFFFAOYSA-N 1 1 285.269 3.079 20 30 CGEDMO C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@H](CCC)C(C)C)C2)C1 ZINC001148363422 805176104 /nfs/dbraw/zinc/17/61/04/805176104.db2.gz GJXOLDQLAJTHIX-MRXNPFEDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H](CCC)C(C)C)C2)C1 ZINC001148363418 805176256 /nfs/dbraw/zinc/17/62/56/805176256.db2.gz GJXOLDQLAJTHIX-INIZCTEOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC1(CC(=O)N2CC3(C2)CC[N@H+](CC)C3)CCCCC1 ZINC001148436202 805182229 /nfs/dbraw/zinc/18/22/29/805182229.db2.gz MOMDUZYYZMDDOS-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO CCCCCCCNC(=S)NCC[C@H]1CCC[N@@H+](C)C1 ZINC001249646322 805201003 /nfs/dbraw/zinc/20/10/03/805201003.db2.gz XXDPSYUEDCRMLX-OAHLLOKOSA-N 1 1 299.528 3.153 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](F)CC2)c1F ZINC001249671991 805210009 /nfs/dbraw/zinc/21/00/09/805210009.db2.gz JJXJUPJVORFYND-CYBMUJFWSA-N 1 1 250.292 3.021 20 30 CGEDMO Cc1cc(Nc2c(Cl)cccc2C#N)c[nH+]c1N ZINC001249788694 805248544 /nfs/dbraw/zinc/24/85/44/805248544.db2.gz MPEYCZJWLXGCPY-UHFFFAOYSA-N 1 1 258.712 3.241 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C[C@H](C)CC ZINC001153007213 805379923 /nfs/dbraw/zinc/37/99/23/805379923.db2.gz PYGBMZMBXWJVNY-DGCLKSJQSA-N 1 1 274.836 3.002 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)CC ZINC001153007213 805379932 /nfs/dbraw/zinc/37/99/32/805379932.db2.gz PYGBMZMBXWJVNY-DGCLKSJQSA-N 1 1 274.836 3.002 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)C1CC(C)(C)C1 ZINC001153096587 805382832 /nfs/dbraw/zinc/38/28/32/805382832.db2.gz MBLAREPPQKPYGE-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC2(CC2)C1 ZINC001153343019 805393107 /nfs/dbraw/zinc/39/31/07/805393107.db2.gz ALXXOYRFCWSHHL-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO CCOc1cc(OC)ccc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001250058730 805396030 /nfs/dbraw/zinc/39/60/30/805396030.db2.gz BZLGMXLOUJTLSP-AWEZNQCLSA-N 1 1 288.391 3.220 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)CCCC[C@H](C)CC ZINC001153571203 805403171 /nfs/dbraw/zinc/40/31/71/805403171.db2.gz UIVJMTDPIAMOKX-IAGOWNOFSA-N 1 1 294.483 3.443 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@]1(C)CC=CCC1 ZINC001153561394 805403344 /nfs/dbraw/zinc/40/33/44/805403344.db2.gz ONCCPCFTYXFIHU-GDBMZVCRSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@]1(C)CC=CCC1 ZINC001153561394 805403347 /nfs/dbraw/zinc/40/33/47/805403347.db2.gz ONCCPCFTYXFIHU-GDBMZVCRSA-N 1 1 298.858 3.312 20 30 CGEDMO C#CCC1(C(=O)NC[C@@H](C)[N@@H+](CC)CCC(C)C)CCC1 ZINC001153783317 805415247 /nfs/dbraw/zinc/41/52/47/805415247.db2.gz DBGLWKVGVYRBHJ-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO COc1cc(F)c(C)cc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001250109636 805421414 /nfs/dbraw/zinc/42/14/14/805421414.db2.gz PIXLOQCMHFIDED-ZDUSSCGKSA-N 1 1 276.355 3.268 20 30 CGEDMO COc1cc(F)c(C)cc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001250109636 805421418 /nfs/dbraw/zinc/42/14/18/805421418.db2.gz PIXLOQCMHFIDED-ZDUSSCGKSA-N 1 1 276.355 3.268 20 30 CGEDMO Cc1ccc(CC#N)c(NCc2nc3ccccc3o2)[nH+]1 ZINC001154656084 805474438 /nfs/dbraw/zinc/47/44/38/805474438.db2.gz MURCIUHIPTZPPO-UHFFFAOYSA-N 1 1 278.315 3.209 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)CC(=C)C ZINC001154742985 805480983 /nfs/dbraw/zinc/48/09/83/805480983.db2.gz QLUGXIODOCPWBL-HZPDHXFCSA-N 1 1 280.456 3.382 20 30 CGEDMO CC#CCCCC(=O)NC[C@@H](C)[N@@H+](CC)CC1CC(C)C1 ZINC001154746915 805483414 /nfs/dbraw/zinc/48/34/14/805483414.db2.gz HSWOHOVQXUPWHX-AQFXKWCLSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)C1CCC(F)CC1 ZINC001155040733 805528533 /nfs/dbraw/zinc/52/85/33/805528533.db2.gz FLOICFOGFPJNTB-QQFBHYJXSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CCc1cc(C)cnc1NCC[C@@H]1CCC[N@H+](C)C1 ZINC001165260507 806982472 /nfs/dbraw/zinc/98/24/72/806982472.db2.gz HJEYNRNEJRCWEN-HNNXBMFYSA-N 1 1 273.424 3.262 20 30 CGEDMO C=CCOC[C@H]1CCC[C@@]12C[N@@H+]([C@@H](C)CCC)CCO2 ZINC001257322694 807108229 /nfs/dbraw/zinc/10/82/29/807108229.db2.gz ZKSBYBVZKIOPES-GVDBMIGSSA-N 1 1 281.440 3.249 20 30 CGEDMO C=CCOC(=O)N[C@H]1CCC[N@H+](C(CCC)CCC)C1 ZINC001257339385 807114428 /nfs/dbraw/zinc/11/44/28/807114428.db2.gz ONWYZLQKEIPNCS-AWEZNQCLSA-N 1 1 282.428 3.332 20 30 CGEDMO CC[C@@H](C)[NH2+]CC(F)(F)C(F)(F)C(F)(F)F ZINC001257427464 807150993 /nfs/dbraw/zinc/15/09/93/807150993.db2.gz JQWSRABBZKDTFT-RXMQYKEDSA-N 1 1 255.177 3.207 20 30 CGEDMO C=CCN(Cc1ccccc1)c1[nH+]cc(C)cc1N ZINC001167126839 807156801 /nfs/dbraw/zinc/15/68/01/807156801.db2.gz RPJVFRBBZJMZPQ-UHFFFAOYSA-N 1 1 253.349 3.165 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CCC[C@@H](Cc2ccc(C)cc2)C1 ZINC001167264528 807173229 /nfs/dbraw/zinc/17/32/29/807173229.db2.gz MENFEYIKBSRBHR-ROUUACIJSA-N 1 1 273.420 3.187 20 30 CGEDMO CCC(CC)[N@@H+](C[C@@H](O)c1cccc(C#N)c1)C1CC1 ZINC001167279179 807174710 /nfs/dbraw/zinc/17/47/10/807174710.db2.gz IHMWEAMTPIYPAZ-QGZVFWFLSA-N 1 1 272.392 3.245 20 30 CGEDMO CCCCCCCCCC[C@@H](C)[N@H+](CCN)CCO ZINC001257546938 807194861 /nfs/dbraw/zinc/19/48/61/807194861.db2.gz JVBLIZMJTZLMCH-MRXNPFEDSA-N 1 1 272.477 3.159 20 30 CGEDMO CCCCCCCCCC[C@@H](C)[N@@H+](CCN)CCO ZINC001257546938 807194866 /nfs/dbraw/zinc/19/48/66/807194866.db2.gz JVBLIZMJTZLMCH-MRXNPFEDSA-N 1 1 272.477 3.159 20 30 CGEDMO CCC#C[C@H](C)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001167518723 807202958 /nfs/dbraw/zinc/20/29/58/807202958.db2.gz ZJNFEHDEPYARSF-ROUUACIJSA-N 1 1 284.447 3.385 20 30 CGEDMO CCC#C[C@H](C)[N@@H+]1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC001167518723 807202963 /nfs/dbraw/zinc/20/29/63/807202963.db2.gz ZJNFEHDEPYARSF-ROUUACIJSA-N 1 1 284.447 3.385 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC001167518723 807202968 /nfs/dbraw/zinc/20/29/68/807202968.db2.gz ZJNFEHDEPYARSF-ROUUACIJSA-N 1 1 284.447 3.385 20 30 CGEDMO C=C1C[C@@H]2CC([NH2+][C@H](CC)C(=O)OCC)C[C@H](C1)C2 ZINC001257888130 807239012 /nfs/dbraw/zinc/23/90/12/807239012.db2.gz YHDNODBMBKSCEG-IZGVIRRGSA-N 1 1 265.397 3.053 20 30 CGEDMO C=C1C[C@@H]2CC([NH2+][C@@H](CCC)C(=O)OCC)C[C@H](C1)C2 ZINC001257888561 807240274 /nfs/dbraw/zinc/24/02/74/807240274.db2.gz STOXIKLRZBGLLP-QXULXFAOSA-N 1 1 279.424 3.443 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CC[C@@H]4CCO[C@H]4C3)C[C@H](C1)C2 ZINC001257892364 807242533 /nfs/dbraw/zinc/24/25/33/807242533.db2.gz XJZIWWMQYQCTQZ-HODAJMAFSA-N 1 1 261.409 3.232 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+](C)CC(=O)OC(C)(C)C)C[C@H](C1)C2 ZINC001257892440 807242682 /nfs/dbraw/zinc/24/26/82/807242682.db2.gz YLUKDNMAFAQCMW-YIONKMFJSA-N 1 1 279.424 3.395 20 30 CGEDMO C=C1C[C@@H]2CC([NH+]3C[C@H]4CN(CC)C[C@@H]4C3)C[C@H](C1)C2 ZINC001257894379 807243394 /nfs/dbraw/zinc/24/33/94/807243394.db2.gz RLLPUDKHPLQFLF-NLFSOYADSA-N 1 1 274.452 3.005 20 30 CGEDMO N#C[C@H]1CCC[N@@H+]([C@H]2COc3ccc(Cl)cc3C2)CC1 ZINC001257968368 807259050 /nfs/dbraw/zinc/25/90/50/807259050.db2.gz LEVYPCPJPJHLJC-SWLSCSKDSA-N 1 1 290.794 3.269 20 30 CGEDMO N#C[C@H]1CCC[N@H+]([C@H]2COc3ccc(Cl)cc3C2)CC1 ZINC001257968368 807259055 /nfs/dbraw/zinc/25/90/55/807259055.db2.gz LEVYPCPJPJHLJC-SWLSCSKDSA-N 1 1 290.794 3.269 20 30 CGEDMO CCCCCCC[C@H](C)[NH2+][C@H](C(=O)OC)C1CCOCC1 ZINC001258042606 807272179 /nfs/dbraw/zinc/27/21/79/807272179.db2.gz RMFHRBQBDPSFGT-HOCLYGCPSA-N 1 1 299.455 3.293 20 30 CGEDMO CCCCCCC[C@@H](C)[N@@H+](C[C@@H](O)CO)C(C)(C)C ZINC001258044583 807274251 /nfs/dbraw/zinc/27/42/51/807274251.db2.gz RKJYAVZQPCZQDU-HUUCEWRRSA-N 1 1 273.461 3.189 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)NC)C1 ZINC001258050820 807277260 /nfs/dbraw/zinc/27/72/60/807277260.db2.gz YGHWNFDPGMOFJY-GJZGRUSLSA-N 1 1 283.460 3.129 20 30 CGEDMO C#CC1(N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168029573 807299698 /nfs/dbraw/zinc/29/96/98/807299698.db2.gz TUWMCYNSYJYXGN-ALXJQNPVSA-N 1 1 282.431 3.183 20 30 CGEDMO C#CC1([NH2+][C@@H]2C[C@@H](C)N(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168029573 807299704 /nfs/dbraw/zinc/29/97/04/807299704.db2.gz TUWMCYNSYJYXGN-ALXJQNPVSA-N 1 1 282.431 3.183 20 30 CGEDMO C=CCOC(=O)N[C@H]1CCC[N@H+]([C@H](C)CCC=C(C)C)C1 ZINC001258098689 807308453 /nfs/dbraw/zinc/30/84/53/807308453.db2.gz ZRZXDIXLLTUDNY-CVEARBPZSA-N 1 1 294.439 3.498 20 30 CGEDMO C[C@H]1C[C@H]([N@H+]2CCC3SC(=O)C=C3C2)C[C@@H](C)C1 ZINC001258160212 807328252 /nfs/dbraw/zinc/32/82/52/807328252.db2.gz RHPJYEPQNNOGOF-UVLXDEKHSA-N 1 1 265.422 3.085 20 30 CGEDMO C=CCCCC[N@H+](C)[C@@H]1Cc2ccc(OC)cc2C1 ZINC001168284555 807373167 /nfs/dbraw/zinc/37/31/67/807373167.db2.gz UUOLGMZVVOTEIH-MRXNPFEDSA-N 1 1 259.393 3.451 20 30 CGEDMO C#CC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@@H]1CCc2ccccc21 ZINC001169037803 807557111 /nfs/dbraw/zinc/55/71/11/807557111.db2.gz UHOCJAIJXQEIEF-YXJHDRRASA-N 1 1 298.386 3.055 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC12CN(C(=O)OC(C)(C)C)C2 ZINC001258726258 807573319 /nfs/dbraw/zinc/57/33/19/807573319.db2.gz PXUBPRHNACPOAE-ZDUSSCGKSA-N 1 1 280.412 3.036 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001258731980 807577479 /nfs/dbraw/zinc/57/74/79/807577479.db2.gz GQVKJMFUAVNQMY-ZIAGYGMSSA-N 1 1 282.428 3.282 20 30 CGEDMO CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C)c1cccc(C#N)c1 ZINC001169108920 807579486 /nfs/dbraw/zinc/57/94/86/807579486.db2.gz WCDVXPBEFBMRJR-ZJPYXAASSA-N 1 1 283.419 3.224 20 30 CGEDMO CC[C@@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(C#N)c1 ZINC001169108920 807579490 /nfs/dbraw/zinc/57/94/90/807579490.db2.gz WCDVXPBEFBMRJR-ZJPYXAASSA-N 1 1 283.419 3.224 20 30 CGEDMO CC[C@@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C#N)c1 ZINC001169108920 807579492 /nfs/dbraw/zinc/57/94/92/807579492.db2.gz WCDVXPBEFBMRJR-ZJPYXAASSA-N 1 1 283.419 3.224 20 30 CGEDMO C#CC(C)(C)[N@H+](C)CCO[C@@H](CC)c1ccccc1 ZINC001169243452 807612508 /nfs/dbraw/zinc/61/25/08/807612508.db2.gz PCEZAOBNXCQXHI-INIZCTEOSA-N 1 1 259.393 3.498 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1ccc(-n2ccnc2)cc1C ZINC001169243840 807612822 /nfs/dbraw/zinc/61/28/22/807612822.db2.gz VJIFKIICFRIODF-UHFFFAOYSA-N 1 1 267.376 3.024 20 30 CGEDMO C=CCc1cc(C)c[nH+]c1NCCc1cncc(OC)c1 ZINC001169262603 807617885 /nfs/dbraw/zinc/61/78/85/807617885.db2.gz BDHACWCNMFLBES-UHFFFAOYSA-N 1 1 283.375 3.177 20 30 CGEDMO CCCCCCC[N@@H+](CC)[C@@H]1CC[C@@H](C(=O)OCC)OC1 ZINC001169394618 807638055 /nfs/dbraw/zinc/63/80/55/807638055.db2.gz YHXAFDBPTBOOEX-CVEARBPZSA-N 1 1 299.455 3.389 20 30 CGEDMO COc1ccc(Nc2c(C)[nH+]c3ccccn32)c(C#N)c1 ZINC001212781076 815136092 /nfs/dbraw/zinc/13/60/92/815136092.db2.gz YEMOARBOHPECEH-UHFFFAOYSA-N 1 1 278.315 3.267 20 30 CGEDMO C=C[C@@H](CO)Nc1cc(C)c2cc(C)cc(C)c2[nH+]1 ZINC001169779738 807708089 /nfs/dbraw/zinc/70/80/89/807708089.db2.gz WOJSLKXDNMOVTH-ZDUSSCGKSA-N 1 1 256.349 3.119 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169784982 807708546 /nfs/dbraw/zinc/70/85/46/807708546.db2.gz QRJSIXBEQGNEJY-KRWDZBQOSA-N 1 1 286.419 3.189 20 30 CGEDMO C[NH+](C)[C@@H]1CCCC[C@@H]1N[C@@H]1CCc2ccc(C#N)cc21 ZINC001261201869 807714555 /nfs/dbraw/zinc/71/45/55/807714555.db2.gz QHSCTYXYOHQQAG-FGTMMUONSA-N 1 1 283.419 3.008 20 30 CGEDMO C=CC[N@@H+](C1CCCCC1)[C@H]1CCCC2(C1)OCCO2 ZINC001169962617 807730123 /nfs/dbraw/zinc/73/01/23/807730123.db2.gz RISICVRZCVGHMY-INIZCTEOSA-N 1 1 279.424 3.493 20 30 CGEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+]([C@H]1CC[C@H](C)C1)C2 ZINC001170137617 807772378 /nfs/dbraw/zinc/77/23/78/807772378.db2.gz OJEQRHUFQCWIIG-WNRNVDISSA-N 1 1 293.451 3.249 20 30 CGEDMO CC[N@H+](Cc1ccccc1F)C[C@H](O)CC1(C#N)CCC1 ZINC001262077183 807818203 /nfs/dbraw/zinc/81/82/03/807818203.db2.gz VRGJXALXCLWVSP-OAHLLOKOSA-N 1 1 290.382 3.092 20 30 CGEDMO N#CC1(C[N@@H+](Cc2cccc(F)c2)C2CCC2)CC1 ZINC001262312743 807847170 /nfs/dbraw/zinc/84/71/70/807847170.db2.gz LMRWVAZVDNBAEE-UHFFFAOYSA-N 1 1 258.340 3.484 20 30 CGEDMO N#CC1(C[N@H+](Cc2cccc(F)c2)C2CCC2)CC1 ZINC001262312743 807847173 /nfs/dbraw/zinc/84/71/73/807847173.db2.gz LMRWVAZVDNBAEE-UHFFFAOYSA-N 1 1 258.340 3.484 20 30 CGEDMO C=CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170720084 807883710 /nfs/dbraw/zinc/88/37/10/807883710.db2.gz JCJKCMBWRBWOSU-XQLPTFJDSA-N 1 1 279.424 3.155 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+]([C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171056646 807975620 /nfs/dbraw/zinc/97/56/20/807975620.db2.gz MCEXWYIWAVINNF-CJNGLKHVSA-N 1 1 274.795 3.433 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+]([C@@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171056646 807975629 /nfs/dbraw/zinc/97/56/29/807975629.db2.gz MCEXWYIWAVINNF-CJNGLKHVSA-N 1 1 274.795 3.433 20 30 CGEDMO N#Cc1cccc2c1CC[C@H]2Nc1cc(Cl)cc(N)[nH+]1 ZINC001171060093 807976686 /nfs/dbraw/zinc/97/66/86/807976686.db2.gz AWNRJSLOQZZAQH-CYBMUJFWSA-N 1 1 284.750 3.288 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+]([C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171133097 807994973 /nfs/dbraw/zinc/99/49/73/807994973.db2.gz JNLUZJFAUVLNIE-CVEARBPZSA-N 1 1 274.795 3.433 20 30 CGEDMO N#C[C@H]1CC[N@H+]([C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171136869 807996327 /nfs/dbraw/zinc/99/63/27/807996327.db2.gz XFOONJQOQMAFKD-ABAIWWIYSA-N 1 1 260.768 3.043 20 30 CGEDMO COCC#CC[N@@H+](C)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC001171170720 807999527 /nfs/dbraw/zinc/99/95/27/807999527.db2.gz RNCIWKDCGWICMY-QZTJIDSGSA-N 1 1 271.404 3.294 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)CCc1ccncc1 ZINC001171221970 808012046 /nfs/dbraw/zinc/01/20/46/808012046.db2.gz YGKWPJWUOQYNFN-OAHLLOKOSA-N 1 1 279.387 3.059 20 30 CGEDMO CC[N@H+](CCC#N)[C@@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001171324551 808026429 /nfs/dbraw/zinc/02/64/29/808026429.db2.gz ZUAJDMKOHYWAKJ-GFCCVEGCSA-N 1 1 292.810 3.441 20 30 CGEDMO CC[N@@H+](CCC#N)[C@@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001171324551 808026437 /nfs/dbraw/zinc/02/64/37/808026437.db2.gz ZUAJDMKOHYWAKJ-GFCCVEGCSA-N 1 1 292.810 3.441 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCC(C)C)C(C)(C)[C@H]21 ZINC001264030639 808030094 /nfs/dbraw/zinc/03/00/94/808030094.db2.gz UJDKZBLAPFJPMC-OIISXLGYSA-N 1 1 292.467 3.214 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)CC(C)C)[C@H]1CC ZINC001264066263 808032232 /nfs/dbraw/zinc/03/22/32/808032232.db2.gz DQHPVENONPZBDL-IXDOHACOSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](C/C=C/Cl)[C@@H]1CC ZINC001264063898 808033014 /nfs/dbraw/zinc/03/30/14/808033014.db2.gz QBBKDFLXIBAXRE-QZVITLNNSA-N 1 1 298.858 3.310 20 30 CGEDMO C=C1CCC(C(=O)N2CCCC[C@H]2C[N@H+](C)CCF)CC1 ZINC001264186243 808045891 /nfs/dbraw/zinc/04/58/91/808045891.db2.gz VBRMYPJDRPHUAU-INIZCTEOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C1CCC(C(=O)N2CCCC[C@H]2C[N@@H+](C)CCF)CC1 ZINC001264186243 808045895 /nfs/dbraw/zinc/04/58/95/808045895.db2.gz VBRMYPJDRPHUAU-INIZCTEOSA-N 1 1 296.430 3.015 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+]([C@@H]2CCc3c(F)cccc3C2)C1 ZINC001171437684 808057192 /nfs/dbraw/zinc/05/71/92/808057192.db2.gz LYWNWGYENACUIM-DZGCQCFKSA-N 1 1 272.367 3.309 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)CC=C ZINC001264373767 808062801 /nfs/dbraw/zinc/06/28/01/808062801.db2.gz YSWJMEFCKSGUSG-HOTGVXAUSA-N 1 1 292.467 3.476 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)CC)C[C@@H]2C1 ZINC001264642852 808083848 /nfs/dbraw/zinc/08/38/48/808083848.db2.gz UQKBWIIBHCONMT-ZACQAIPSSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@H+](CC[C@H](C)F)[C@@H]2C)CCC1 ZINC001264717849 808088075 /nfs/dbraw/zinc/08/80/75/808088075.db2.gz NEANAENWQFTKHK-ZNMIVQPWSA-N 1 1 296.430 3.060 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1ccc(Cl)o1 ZINC001264738499 808089090 /nfs/dbraw/zinc/08/90/90/808089090.db2.gz YWRZJPMJYOHFHJ-LBPRGKRZSA-N 1 1 296.798 3.046 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](CCSCc2ccccc2)C1 ZINC001171572091 808101289 /nfs/dbraw/zinc/10/12/89/808101289.db2.gz DRDJURGZBALYNI-HNNXBMFYSA-N 1 1 259.418 3.265 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCCC[N@@H+](C)CC1CC(C)(C)C1 ZINC001265032505 808104883 /nfs/dbraw/zinc/10/48/83/808104883.db2.gz XGBPDQZHXQSGLN-SFHVURJKSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@H+](C)CCCNC(=O)[C@@H](C)c1cccc(C)c1 ZINC001265042290 808106191 /nfs/dbraw/zinc/10/61/91/808106191.db2.gz VKLHWSWIQGIBJP-INIZCTEOSA-N 1 1 288.435 3.113 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCNC(=O)[C@@H](C)C1CCCC1 ZINC001265057087 808106561 /nfs/dbraw/zinc/10/65/61/808106561.db2.gz FMNSJMZCQGVJKC-ZDUSSCGKSA-N 1 1 286.847 3.003 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCNC(=O)[C@@H](C)C1CCCC1 ZINC001265057087 808106567 /nfs/dbraw/zinc/10/65/67/808106567.db2.gz FMNSJMZCQGVJKC-ZDUSSCGKSA-N 1 1 286.847 3.003 20 30 CGEDMO C#CCOCC[N@@H+]1CCC[C@@]1(C)Cc1cccc(Cl)c1 ZINC001171714168 808125307 /nfs/dbraw/zinc/12/53/07/808125307.db2.gz NPYFAMVPFBYZDS-KRWDZBQOSA-N 1 1 291.822 3.387 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)CCC2CCCCCC2)C1 ZINC001265295203 808126537 /nfs/dbraw/zinc/12/65/37/808126537.db2.gz RIZQUOKONRXZTF-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1CC ZINC001265412120 808140919 /nfs/dbraw/zinc/14/09/19/808140919.db2.gz YWVSKDPNNGFAEQ-OVYGPGRDSA-N 1 1 290.451 3.062 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CCN(C)Cc2ccccc2)C1 ZINC001171847827 808149639 /nfs/dbraw/zinc/14/96/39/808149639.db2.gz UNHJOCVLJCYYMO-QGZVFWFLSA-N 1 1 272.436 3.407 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]2C[N@@H+](CC(C)C)CC[C@H]21 ZINC001265523089 808150110 /nfs/dbraw/zinc/15/01/10/808150110.db2.gz GYNNFWUWMRUASF-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CC[N@@H+](Cc1cnc2ccc(C)cc2c1)C1CSC1 ZINC001171868256 808150723 /nfs/dbraw/zinc/15/07/23/808150723.db2.gz ZOMSWNLJLUDXSA-UHFFFAOYSA-N 1 1 282.412 3.094 20 30 CGEDMO C#CC[N@H+](Cc1cnc2ccc(C)cc2c1)C1CSC1 ZINC001171868256 808150726 /nfs/dbraw/zinc/15/07/26/808150726.db2.gz ZOMSWNLJLUDXSA-UHFFFAOYSA-N 1 1 282.412 3.094 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCC[C@@H]2C[N@@H+](CC)CC[C@H]21 ZINC001265524449 808151320 /nfs/dbraw/zinc/15/13/20/808151320.db2.gz XYWILGNPEYQHQR-IAGOWNOFSA-N 1 1 290.451 3.088 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC001171929919 808155353 /nfs/dbraw/zinc/15/53/53/808155353.db2.gz MLPVAUSIWPVUOF-QQFBHYJXSA-N 1 1 291.435 3.232 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H]2CCCC[N@@H+]2C[C@@H](F)CC)C1 ZINC001265654239 808164043 /nfs/dbraw/zinc/16/40/43/808164043.db2.gz QDZHOEXDQDAFCM-GJZGRUSLSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@H](C)C1CC1 ZINC001265658337 808165796 /nfs/dbraw/zinc/16/57/96/808165796.db2.gz WXCLYHSZFUPZEY-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001265702317 808170561 /nfs/dbraw/zinc/17/05/61/808170561.db2.gz BZKKKOPKPFGRSD-HUUCEWRRSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccoc2)C1 ZINC001265696981 808170749 /nfs/dbraw/zinc/17/07/49/808170749.db2.gz NAGOLQZYCKVREO-LSDHHAIUSA-N 1 1 290.407 3.076 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)C1C(C)(C)C1(C)C ZINC001265821896 808184820 /nfs/dbraw/zinc/18/48/20/808184820.db2.gz CAWJAKLAVIAQRC-AWEZNQCLSA-N 1 1 294.483 3.461 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172175819 808190346 /nfs/dbraw/zinc/19/03/46/808190346.db2.gz DKLHJCIHFMWLMJ-HUUCEWRRSA-N 1 1 266.429 3.042 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)[C@@H]1CCC1(C)C ZINC001265908736 808192189 /nfs/dbraw/zinc/19/21/89/808192189.db2.gz XQJBENGHDJIWSK-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCNC(=O)[C@@H](C)c1ccccc1 ZINC001265953754 808195669 /nfs/dbraw/zinc/19/56/69/808195669.db2.gz DYWXOLJAAXYDAP-INIZCTEOSA-N 1 1 288.435 3.194 20 30 CGEDMO N#CCC[N@@H+](Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172226371 808203041 /nfs/dbraw/zinc/20/30/41/808203041.db2.gz WNNMZONTSMKSDI-ALOPSCKCSA-N 1 1 270.376 3.112 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@@H]([N@@H+](C)CC=C(C)C)C1 ZINC001266102254 808211213 /nfs/dbraw/zinc/21/12/13/808211213.db2.gz FZJUGQUWOKDWBJ-MRXNPFEDSA-N 1 1 292.467 3.478 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC001172307997 808222999 /nfs/dbraw/zinc/22/29/99/808222999.db2.gz RYVNQXITWPKYQT-MAUKXSAKSA-N 1 1 291.398 3.374 20 30 CGEDMO C=CCCC(=O)NCCC[C@@H]1CCC[N@H+]1CC1CCC1 ZINC001266204223 808226341 /nfs/dbraw/zinc/22/63/41/808226341.db2.gz SAFRKCXVNQOYKT-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)oc2C)C1 ZINC001266201760 808226907 /nfs/dbraw/zinc/22/69/07/808226907.db2.gz ZQKKQSNWJHIKQK-OAHLLOKOSA-N 1 1 290.407 3.057 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC001172320398 808230405 /nfs/dbraw/zinc/23/04/05/808230405.db2.gz VARZSEIKTZWDGI-YOEHRIQHSA-N 1 1 267.376 3.115 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(F)s2)C1 ZINC001266252678 808233293 /nfs/dbraw/zinc/23/32/93/808233293.db2.gz YHOMPZNYNBICNQ-GFCCVEGCSA-N 1 1 296.411 3.048 20 30 CGEDMO C=C(C)C[N@H+](C)CCNC(=O)[C@H](CC)C1CCC(C)CC1 ZINC001266280498 808237117 /nfs/dbraw/zinc/23/71/17/808237117.db2.gz HPTYLPSHYVFQDR-OFLPRAFFSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@H+](C)CCNC(=O)[C@@H](C)c1ccc(Cl)cc1 ZINC001266321042 808241449 /nfs/dbraw/zinc/24/14/49/808241449.db2.gz PXSQDNVHAVHPHM-ZDUSSCGKSA-N 1 1 294.826 3.068 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)c1cc(C)ccc1F ZINC001266329630 808243288 /nfs/dbraw/zinc/24/32/88/808243288.db2.gz BQYKMUUTHQHXHQ-AWEZNQCLSA-N 1 1 292.398 3.150 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](C[C@@H](C)CC(C)C)C2)C1 ZINC001266343172 808245179 /nfs/dbraw/zinc/24/51/79/808245179.db2.gz ZKOSYVKTZVSTCZ-GOEBONIOSA-N 1 1 292.467 3.215 20 30 CGEDMO CC[C@H](C)OCC[C@@H](C)[N@H+]1CCC[C@@H](C#N)CC1 ZINC001172351929 808250042 /nfs/dbraw/zinc/25/00/42/808250042.db2.gz DXPKEJTUVFFDMV-QLFBSQMISA-N 1 1 252.402 3.206 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CC[C@@]2(CCNC2=O)C1 ZINC001172355222 808251554 /nfs/dbraw/zinc/25/15/54/808251554.db2.gz AHDKNWMIITYTCH-WBVHZDCISA-N 1 1 280.456 3.338 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)c1ccn(C(C)C)c1C ZINC001266411366 808259141 /nfs/dbraw/zinc/25/91/41/808259141.db2.gz SCRSCMPQTLQWEV-UHFFFAOYSA-N 1 1 291.439 3.005 20 30 CGEDMO C=C1CC(C)(C(=O)NCC[N@H+](CC)Cc2ccsc2)C1 ZINC001266416557 808259916 /nfs/dbraw/zinc/25/99/16/808259916.db2.gz JHRYFVWKVXOQIW-UHFFFAOYSA-N 1 1 292.448 3.043 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](CNC(=O)C2CCCCC2)C1 ZINC001266498598 808277586 /nfs/dbraw/zinc/27/75/86/808277586.db2.gz YKAJSDDXEHXTMP-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)c1cc2ccccc2o1 ZINC001266577507 808289914 /nfs/dbraw/zinc/28/99/14/808289914.db2.gz NIHDIJVNGAZYHS-UHFFFAOYSA-N 1 1 286.375 3.061 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@H+]([C@H](CC)CC(C)C)C2)C1=O ZINC001172403514 808291688 /nfs/dbraw/zinc/29/16/88/808291688.db2.gz ULHDBPFXHWGANN-AEFFLSMTSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1CCCC[N@H+]1CC=C(C)C ZINC001266842715 808323424 /nfs/dbraw/zinc/32/34/24/808323424.db2.gz SVFTUZXNFDNZOE-INIZCTEOSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCCC[C@@H]1[C@H]1CCC[N@@H+]1CC ZINC001266894551 808331028 /nfs/dbraw/zinc/33/10/28/808331028.db2.gz ZVMQBTSULYCYEK-HZPDHXFCSA-N 1 1 292.467 3.454 20 30 CGEDMO C[C@H](CCCC#N)[N@@H+](C)Cc1cncc(Br)c1 ZINC001172494940 808352970 /nfs/dbraw/zinc/35/29/70/808352970.db2.gz ADKDSAYOCYVZEL-LLVKDONJSA-N 1 1 296.212 3.358 20 30 CGEDMO CCCCCCCC[C@H](CC)[NH2+]CCN1CCN(C)CC1 ZINC001172503565 808358551 /nfs/dbraw/zinc/35/85/51/808358551.db2.gz GFPOXBZXRLMCJW-SFHVURJKSA-N 1 1 297.531 3.353 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@H]1CCCN(C(=O)/C(C)=C/C)C1 ZINC001267102228 808358545 /nfs/dbraw/zinc/35/85/45/808358545.db2.gz DKVUSCHOAXAEPZ-JEYQBLLFSA-N 1 1 278.440 3.230 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@]2(C)C=CCC2)C1 ZINC001267109674 808359216 /nfs/dbraw/zinc/35/92/16/808359216.db2.gz XBFSFXSQQWGQCS-SJLPKXTDSA-N 1 1 290.451 3.232 20 30 CGEDMO CCCCCCCC[C@H](CC)[N@H+]1CCO[C@H](CO)C1 ZINC001172506009 808363250 /nfs/dbraw/zinc/36/32/50/808363250.db2.gz ZBQMNFFTCUUJGU-HOTGVXAUSA-N 1 1 271.445 3.209 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCc2nc(Cl)ccc2C1 ZINC001172507809 808364938 /nfs/dbraw/zinc/36/49/38/808364938.db2.gz YRNWAGSNCGHNPS-NSHDSACASA-N 1 1 263.772 3.175 20 30 CGEDMO C=CC(C)(C)C(=O)NCCC[C@@H]1CCC[N@@H+]1C[C@@H](F)CC ZINC001267172119 808373365 /nfs/dbraw/zinc/37/33/65/808373365.db2.gz WNMGPSKMMKNTSP-LSDHHAIUSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001267214533 808383743 /nfs/dbraw/zinc/38/37/43/808383743.db2.gz BDYPFVAMRYDRQL-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC[N@H+](CC)CC1CC(C)(C)C1 ZINC001267247429 808394533 /nfs/dbraw/zinc/39/45/33/808394533.db2.gz MLSZKLVCJPNPGW-UHFFFAOYSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)c1ccc(CC)s1 ZINC001267245297 808395385 /nfs/dbraw/zinc/39/53/85/808395385.db2.gz INUCKWRLUDZHNI-UHFFFAOYSA-N 1 1 294.464 3.328 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)[C@]12C[C@H]1CCCC2 ZINC001267251479 808396093 /nfs/dbraw/zinc/39/60/93/808396093.db2.gz HEVAQWFVKBAGOX-LZLYRXPVSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)C(C)(C)CC(C)(C)C ZINC001267257203 808396378 /nfs/dbraw/zinc/39/63/78/808396378.db2.gz RLYPCERZBADGMN-UHFFFAOYSA-N 1 1 282.472 3.463 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H](CC)CCCC ZINC001267274851 808402502 /nfs/dbraw/zinc/40/25/02/808402502.db2.gz DACRMNYMRFFJQN-DLBZAZTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1CC[N@H+](C[C@@H](C)CC)C1 ZINC001267298707 808406783 /nfs/dbraw/zinc/40/67/83/808406783.db2.gz QWKZFCLTLSTJAY-LSDHHAIUSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1CC[N@H+](C[C@@H](C)CC)C1 ZINC001267298705 808406794 /nfs/dbraw/zinc/40/67/94/808406794.db2.gz QWKZFCLTLSTJAY-GJZGRUSLSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001267298409 808406967 /nfs/dbraw/zinc/40/69/67/808406967.db2.gz MRIQOPYSSUSHEQ-MRXNPFEDSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H](CNC(=O)c2ccc(C=C)cc2)C1 ZINC001267303922 808408845 /nfs/dbraw/zinc/40/88/45/808408845.db2.gz TXNVFILEHRJURO-KRWDZBQOSA-N 1 1 298.430 3.348 20 30 CGEDMO C=C(C)C[N@H+](CCNC(=O)[C@]1(C)CCC[C@H]1CC)C1CC1 ZINC001267328486 808415460 /nfs/dbraw/zinc/41/54/60/808415460.db2.gz XUESYXYKNJTSMD-CRAIPNDOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCCC ZINC001267423907 808424836 /nfs/dbraw/zinc/42/48/36/808424836.db2.gz XARVFIWFRLGKID-IYBDPMFKSA-N 1 1 278.440 3.208 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)C[C@H](C)CC(C)C)C1 ZINC001267488780 808432162 /nfs/dbraw/zinc/43/21/62/808432162.db2.gz PHUPDYKYRDMXTD-SJORKVTESA-N 1 1 292.467 3.005 20 30 CGEDMO C=CC(C)(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](F)CC ZINC001267529760 808439163 /nfs/dbraw/zinc/43/91/63/808439163.db2.gz HJDBGVWBZONAFY-SOUVJXGZSA-N 1 1 296.430 3.012 20 30 CGEDMO C=CC(C)(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](F)CC ZINC001267529760 808439170 /nfs/dbraw/zinc/43/91/70/808439170.db2.gz HJDBGVWBZONAFY-SOUVJXGZSA-N 1 1 296.430 3.012 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H]1CCC[C@H](C(=O)OC)CC1 ZINC001172792428 808441243 /nfs/dbraw/zinc/44/12/43/808441243.db2.gz BEUDVLOMKRQXGL-KBPBESRZSA-N 1 1 253.386 3.006 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CCNC(=O)C(C)(C)C2CCC2)C1 ZINC001267552858 808446494 /nfs/dbraw/zinc/44/64/94/808446494.db2.gz VWEPOGMYKCALFI-HNNXBMFYSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)C(C)(C)C(=C)C)C1 ZINC001267561494 808447499 /nfs/dbraw/zinc/44/74/99/808447499.db2.gz ONNIFYMOIRQFEB-INIZCTEOSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)CC)C1 ZINC001267569928 808449012 /nfs/dbraw/zinc/44/90/12/808449012.db2.gz FQVKURMWTCYJNF-HNNXBMFYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)C(C)=C2CCCC2)C1 ZINC001267579636 808451319 /nfs/dbraw/zinc/45/13/19/808451319.db2.gz IJOCLFSVVKUZIX-MRXNPFEDSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCCCCC[NH+]1CC(NC(=O)C[C@H]2C=CCCC2)C1 ZINC001267650410 808464638 /nfs/dbraw/zinc/46/46/38/808464638.db2.gz MMWLGHGWKANJJX-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)C2=CCCCCC2)C1 ZINC001267645638 808464895 /nfs/dbraw/zinc/46/48/95/808464895.db2.gz BVALUYVPDSOEND-MRXNPFEDSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCC(CC=C)C(=O)NC1C[NH+]([C@@H](C)c2ccccc2)C1 ZINC001267648491 808464986 /nfs/dbraw/zinc/46/49/86/808464986.db2.gz ZJNMLUKOTFHXEG-HNNXBMFYSA-N 1 1 298.430 3.316 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)CCCCCC ZINC001267712613 808474576 /nfs/dbraw/zinc/47/45/76/808474576.db2.gz CPFVDSOBODAZIP-ULQDDVLXSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)CC[N@H+](C)CC1CCN(C(=O)/C(C)=C\CC)CC1 ZINC001267718637 808476162 /nfs/dbraw/zinc/47/61/62/808476162.db2.gz PAYISIWGQIMLLU-APSNUPSMSA-N 1 1 292.467 3.479 20 30 CGEDMO N#C[C@H]1CCC[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172912452 808477434 /nfs/dbraw/zinc/47/74/34/808477434.db2.gz ANECEFIVSGLFGE-CJNGLKHVSA-N 1 1 299.374 3.078 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)C2(C)CCC2)C1 ZINC001267727370 808478237 /nfs/dbraw/zinc/47/82/37/808478237.db2.gz DXJYULJGHXIWEI-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2F)C1 ZINC001267739125 808481100 /nfs/dbraw/zinc/48/11/00/808481100.db2.gz YITAHRGYZPYAPH-ZIAGYGMSSA-N 1 1 290.382 3.043 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC23CC3)C1 ZINC001267774574 808488166 /nfs/dbraw/zinc/48/81/66/808488166.db2.gz XPBGHPXDRVERQM-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO CCCCCC[N@H+]1CC[C@@H](N(CC)C(=O)C#CC(C)C)C1 ZINC001267785965 808492161 /nfs/dbraw/zinc/49/21/61/808492161.db2.gz XVHSFHWHUCVMPK-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO C[N@@H+]([C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1)C(C)(C)C ZINC001172986236 808497097 /nfs/dbraw/zinc/49/70/97/808497097.db2.gz VLQCXKZBNZYLDH-STQMWFEESA-N 1 1 295.427 3.008 20 30 CGEDMO CCCOC1CCC([N@H+]2CCC[C@H](C#N)CC2)CC1 ZINC001173100471 808508816 /nfs/dbraw/zinc/50/88/16/808508816.db2.gz LGDSPGSYEJGTOI-FHERZECASA-N 1 1 264.413 3.350 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](F)CC)C1 ZINC001267957189 808521436 /nfs/dbraw/zinc/52/14/36/808521436.db2.gz ZFHUEBYZVVNHHQ-HUUCEWRRSA-N 1 1 284.419 3.062 20 30 CGEDMO C=CC[N@@H+](C)CCC1CCN(C(=O)/C=C/C(C)(C)C)CC1 ZINC001268200888 808556023 /nfs/dbraw/zinc/55/60/23/808556023.db2.gz SCWMIYUOFSKRNZ-YRNVUSSQSA-N 1 1 292.467 3.335 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)C(C)(C)C)C1 ZINC001268202177 808556092 /nfs/dbraw/zinc/55/60/92/808556092.db2.gz NPOBCCHSWVALLO-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001268224506 808560176 /nfs/dbraw/zinc/56/01/76/808560176.db2.gz LBJGJYGMIMWAJB-IXDOHACOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)c1cccc(C2CC2)c1 ZINC001268258804 808572101 /nfs/dbraw/zinc/57/21/01/808572101.db2.gz GJDYNQTWZZOXGS-UHFFFAOYSA-N 1 1 286.419 3.144 20 30 CGEDMO Cc1[nH]c2ccc(Nc3c(C#N)cnn3C(C)(C)C)cc2[nH+]1 ZINC001213070372 815219939 /nfs/dbraw/zinc/21/99/39/815219939.db2.gz MYUHYOOCOSTIJH-UHFFFAOYSA-N 1 1 294.362 3.438 20 30 CGEDMO N#CCC1CCC([NH2+]CC(F)(F)c2ccccn2)CC1 ZINC001173328533 808613884 /nfs/dbraw/zinc/61/38/84/808613884.db2.gz DIQNYCYSXJBYTF-UHFFFAOYSA-N 1 1 279.334 3.235 20 30 CGEDMO N#CCC1CCC([N@@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)CC1 ZINC001173331401 808616538 /nfs/dbraw/zinc/61/65/38/808616538.db2.gz OWGUCBIQMBJLKC-QDIHITRGSA-N 1 1 274.408 3.292 20 30 CGEDMO N#CCC1CCC([N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)CC1 ZINC001173336055 808617769 /nfs/dbraw/zinc/61/77/69/808617769.db2.gz LOQGMGKYEGRBAE-HHTDUIENSA-N 1 1 268.351 3.436 20 30 CGEDMO C=CCCCC(=O)N[C@@H](C)C[N@@H+](C)CCC(C)(C)C ZINC001268742510 808619980 /nfs/dbraw/zinc/61/99/80/808619980.db2.gz IFVIBXLCQNNZJU-AWEZNQCLSA-N 1 1 268.445 3.215 20 30 CGEDMO CC(C)[N@@H+](C1CCOCC1)C1CCC(CC#N)CC1 ZINC001173341353 808621522 /nfs/dbraw/zinc/62/15/22/808621522.db2.gz UORKXXQUEPCXJW-UHFFFAOYSA-N 1 1 264.413 3.348 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](Cc2csc(C)c2)C1 ZINC001269030002 808643056 /nfs/dbraw/zinc/64/30/56/808643056.db2.gz WRLLDEVIAXVHPI-HNNXBMFYSA-N 1 1 292.448 3.103 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001269083319 808647036 /nfs/dbraw/zinc/64/70/36/808647036.db2.gz HVKXBDGOKDLCPB-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO COCC[C@@H]1CCCC[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173596255 808649781 /nfs/dbraw/zinc/64/97/81/808649781.db2.gz PKLJAHXDRAGMDC-FHERZECASA-N 1 1 264.413 3.350 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CC[C@H](N3CCCCC3)C2)CC1 ZINC001173596232 808650036 /nfs/dbraw/zinc/65/00/36/808650036.db2.gz ONBDKUUSTGXABE-CGZBRXJRSA-N 1 1 275.440 3.019 20 30 CGEDMO CC1(C#N)CCC(N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC001173596232 808650039 /nfs/dbraw/zinc/65/00/39/808650039.db2.gz ONBDKUUSTGXABE-CGZBRXJRSA-N 1 1 275.440 3.019 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CCC[C@@H](Oc3ccncc3)C2)CC1 ZINC001173596818 808650114 /nfs/dbraw/zinc/65/01/14/808650114.db2.gz DZARZNFZGBJYCJ-IIIMJFFVSA-N 1 1 299.418 3.397 20 30 CGEDMO CC1(C#N)CCC([NH+]2CCN(C3CCCC3)CC2)CC1 ZINC001173595871 808650173 /nfs/dbraw/zinc/65/01/73/808650173.db2.gz ADNPZLKYSXUAHN-UHFFFAOYSA-N 1 1 275.440 3.019 20 30 CGEDMO CCOC(=O)[C@H]1C[C@H](C)CC[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173600262 808650659 /nfs/dbraw/zinc/65/06/59/808650659.db2.gz XNKRJSLHQIZQOV-HCEZTOJASA-N 1 1 292.423 3.122 20 30 CGEDMO CCCCOC(=O)[C@H]1CC[N@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173597516 808650794 /nfs/dbraw/zinc/65/07/94/808650794.db2.gz WUOUSYQTEMKMLK-UQPPLGOBSA-N 1 1 292.423 3.124 20 30 CGEDMO C[N@H+](C1CC1)C1CCN(C2CCC(C)(C#N)CC2)CC1 ZINC001173597756 808650967 /nfs/dbraw/zinc/65/09/67/808650967.db2.gz HZTOJVIXLQKPFW-UHFFFAOYSA-N 1 1 275.440 3.017 20 30 CGEDMO C[N@@H+](C1CC1)C1CCN(C2CCC(C)(C#N)CC2)CC1 ZINC001173597756 808650968 /nfs/dbraw/zinc/65/09/68/808650968.db2.gz HZTOJVIXLQKPFW-UHFFFAOYSA-N 1 1 275.440 3.017 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CCC[C@@H]2CN2CCCC2)CC1 ZINC001173599404 808651168 /nfs/dbraw/zinc/65/11/68/808651168.db2.gz KYXLPVQIQGXVRR-AQFXKWCLSA-N 1 1 275.440 3.019 20 30 CGEDMO CCCC[N@H+](CC#N)C1CCC2(C[C@@H]2C(=O)OCC)CC1 ZINC001173618297 808653557 /nfs/dbraw/zinc/65/35/57/808653557.db2.gz FPWHJRFKPMOBQQ-ISXOHVOVSA-N 1 1 292.423 3.124 20 30 CGEDMO CCCC[N@@H+](CC#N)C1CCC2(C[C@@H]2C(=O)OCC)CC1 ZINC001173618297 808653559 /nfs/dbraw/zinc/65/35/59/808653559.db2.gz FPWHJRFKPMOBQQ-ISXOHVOVSA-N 1 1 292.423 3.124 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)s2)C1 ZINC001269207939 808656802 /nfs/dbraw/zinc/65/68/02/808656802.db2.gz BDLKRTXTUGHJMZ-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO CCCC[N@@H+](CCC#N)[C@H]1CC[C@H](CC(=O)OCC)C1 ZINC001173642992 808658652 /nfs/dbraw/zinc/65/86/52/808658652.db2.gz GBPPCRRMFHAUKP-GJZGRUSLSA-N 1 1 280.412 3.124 20 30 CGEDMO C=CC(C)(C)C(=O)N(C)[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001269262775 808661606 /nfs/dbraw/zinc/66/16/06/808661606.db2.gz LKMMOIODTWLRMU-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)C(=C)C)C1 ZINC001269264131 808662485 /nfs/dbraw/zinc/66/24/85/808662485.db2.gz VUFVKUVBWWDDCD-HZPDHXFCSA-N 1 1 292.467 3.476 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)C(CC)(CC)CC)C1 ZINC001269286623 808663280 /nfs/dbraw/zinc/66/32/80/808663280.db2.gz AIFCYJBDCBFLAE-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CCCCC(=O)N(CC)[C@H]1CC[N@H+]([C@H](C)CCC=C)C1 ZINC001269325285 808669388 /nfs/dbraw/zinc/66/93/88/808669388.db2.gz YPNMATGOHUZHQU-SJORKVTESA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)CC2CCC2)C1 ZINC001269319086 808669602 /nfs/dbraw/zinc/66/96/02/808669602.db2.gz TZPYCYHUCPVDFS-DOTOQJQBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H](C)C2CCC2)C1 ZINC001269332438 808671252 /nfs/dbraw/zinc/67/12/52/808671252.db2.gz QVYXBHHWZRPPSM-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C)CCCC)C2)C1 ZINC001269686854 808697576 /nfs/dbraw/zinc/69/75/76/808697576.db2.gz RCHPLFAXPACVRX-FUHWJXTLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)C2(C)CC=CC2)C1 ZINC001270990521 808758121 /nfs/dbraw/zinc/75/81/21/808758121.db2.gz BZOSMCBLNGBKIQ-QGZVFWFLSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)C1CC1 ZINC001272014854 808793926 /nfs/dbraw/zinc/79/39/26/808793926.db2.gz FAZCFIXDARPZQD-USXIJHARSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](CC)C(C)C ZINC001272042701 808795220 /nfs/dbraw/zinc/79/52/20/808795220.db2.gz IGXPRPFDUKSYOY-YESZJQIVSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)C12CCC(CC1)C2 ZINC001272048767 808795253 /nfs/dbraw/zinc/79/52/53/808795253.db2.gz KJIMXOQUBWJCOO-KLHKWILBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC(C)(C)C(=O)N(C)CC[N@@H+](C)Cc1ccccc1C ZINC001272080881 808796562 /nfs/dbraw/zinc/79/65/62/808796562.db2.gz TVVGPUUYZLRHTI-UHFFFAOYSA-N 1 1 288.435 3.097 20 30 CGEDMO C=CC[N@H+](C)CCN(C)C(=O)C[C@H](CC)C(C)(C)C ZINC001272152512 808798653 /nfs/dbraw/zinc/79/86/53/808798653.db2.gz XFHNMKMVHVYBJY-AWEZNQCLSA-N 1 1 268.445 3.025 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]2CN(C(=O)C3CCCC3)CC[C@@H]21 ZINC001272193146 808800888 /nfs/dbraw/zinc/80/08/88/808800888.db2.gz GHYHIWFGYKTTNO-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO CCCCCCC[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001272293671 808804075 /nfs/dbraw/zinc/80/40/75/808804075.db2.gz MWNAMRCLGTXZDF-HRCADAONSA-N 1 1 280.456 3.288 20 30 CGEDMO CCCCCCC[C@@H](C)C(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2C ZINC001272293552 808804092 /nfs/dbraw/zinc/80/40/92/808804092.db2.gz IOABPQTYBPPSCG-PMPSAXMXSA-N 1 1 280.456 3.288 20 30 CGEDMO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC(CC)CC ZINC001272422906 808806716 /nfs/dbraw/zinc/80/67/16/808806716.db2.gz ASFGTPVEBQNYJG-HZPDHXFCSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CC(CC)CC ZINC001272421820 808807231 /nfs/dbraw/zinc/80/72/31/808807231.db2.gz MCYDWPXAMVJZHT-QGZVFWFLSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@@H+]2CCCCCCC)C1=O ZINC001272476947 808811599 /nfs/dbraw/zinc/81/15/99/808811599.db2.gz UKJPJYBJKDJDEZ-QGZVFWFLSA-N 1 1 278.440 3.210 20 30 CGEDMO N#Cc1ccc(Cl)nc1Nc1cc[nH+]c2ccccc12 ZINC001174039095 808836276 /nfs/dbraw/zinc/83/62/76/808836276.db2.gz MBRVVRXWPULDMD-UHFFFAOYSA-N 1 1 280.718 3.320 20 30 CGEDMO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2CCC1CCCC1 ZINC001273165965 808836884 /nfs/dbraw/zinc/83/68/84/808836884.db2.gz GZYXPJBAPCUIGA-GOSISDBHSA-N 1 1 290.451 3.210 20 30 CGEDMO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CC1CCCCC1 ZINC001273509083 808850307 /nfs/dbraw/zinc/85/03/07/808850307.db2.gz LCLUBQXYQGBJFZ-IAGOWNOFSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2CC(C)(C)C ZINC001273532737 808851880 /nfs/dbraw/zinc/85/18/80/808851880.db2.gz OHBXEMVASWMMNW-KRWDZBQOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccc(CC)c1 ZINC001273651091 808857367 /nfs/dbraw/zinc/85/73/67/808857367.db2.gz CNHHPCDNEYWCIG-QZTJIDSGSA-N 1 1 298.430 3.000 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](NC(C)=O)C(C)(C)C1 ZINC001274407298 808874372 /nfs/dbraw/zinc/87/43/72/808874372.db2.gz TVYPABCIRVUSAJ-OAHLLOKOSA-N 1 1 268.445 3.193 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CCCC)C[C@H]1C ZINC001274596605 808877992 /nfs/dbraw/zinc/87/79/92/808877992.db2.gz JWSOYIQDANPJSP-HUUCEWRRSA-N 1 1 266.429 3.112 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C2(C)CC(=C)C2)C[C@H]1C ZINC001274643846 808879662 /nfs/dbraw/zinc/87/96/62/808879662.db2.gz MDISVGNOZQBBMG-CVEARBPZSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@H+](CCC)[C@H](C)C1 ZINC001274622215 808880157 /nfs/dbraw/zinc/88/01/57/808880157.db2.gz BIGSHWIFHQMXBM-GDBMZVCRSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCC[N@H+](CC)CC1CCN(C(=O)C=C(C)C)CC1 ZINC001274942458 808894177 /nfs/dbraw/zinc/89/41/77/808894177.db2.gz XJVDFWFMYHILNQ-UHFFFAOYSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(CC)CC ZINC001275167081 808918433 /nfs/dbraw/zinc/91/84/33/808918433.db2.gz LPEXZZXXNJVNOT-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H](C)C[N@H+](C)CC/C=C\CC ZINC001275615713 808951103 /nfs/dbraw/zinc/95/11/03/808951103.db2.gz SUCWTGADTYBXRP-KVPUOBJLSA-N 1 1 280.456 3.382 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)c1c(C)cc(F)cc1C ZINC001275616537 808951680 /nfs/dbraw/zinc/95/16/80/808951680.db2.gz YGENYXIFQSUVGS-AWEZNQCLSA-N 1 1 292.398 3.069 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCC(C)(C)C ZINC001275621880 808953286 /nfs/dbraw/zinc/95/32/86/808953286.db2.gz JMWDEKRAYTXNHQ-AWEZNQCLSA-N 1 1 282.472 3.461 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC001275628958 808953764 /nfs/dbraw/zinc/95/37/64/808953764.db2.gz IHXWZTIJZPBDJF-HZPDHXFCSA-N 1 1 288.435 3.225 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)CCC(C)(C)C ZINC001275699017 808959191 /nfs/dbraw/zinc/95/91/91/808959191.db2.gz VEXIOHIBXKJEDV-HUUCEWRRSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1oc(C)cc1C ZINC001275800405 808966814 /nfs/dbraw/zinc/96/68/14/808966814.db2.gz JMGKVHSIJGVJOX-KBPBESRZSA-N 1 1 292.423 3.301 20 30 CGEDMO N#Cc1ccc(CN2CC3(C2)CC[N@H+](C2CCCC2)C3)cc1 ZINC001275829112 808969730 /nfs/dbraw/zinc/96/97/30/808969730.db2.gz QHGKRHJLBAKELZ-UHFFFAOYSA-N 1 1 295.430 3.009 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)CC(C)(C)CC(F)F ZINC001275881174 808974239 /nfs/dbraw/zinc/97/42/39/808974239.db2.gz DTEYJVQIDYMACE-LBPRGKRZSA-N 1 1 290.398 3.071 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccsc2)C1 ZINC001275928286 808976325 /nfs/dbraw/zinc/97/63/25/808976325.db2.gz IZHCAUPZTKMVFG-CYBMUJFWSA-N 1 1 292.448 3.041 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)c1ccc(C)cc1 ZINC001275985533 808982116 /nfs/dbraw/zinc/98/21/16/808982116.db2.gz CUXMOUZMTVAHDM-HNNXBMFYSA-N 1 1 274.408 3.011 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)C1(C)C(C)(C)C1(C)C ZINC001276021029 808984873 /nfs/dbraw/zinc/98/48/73/808984873.db2.gz HMBVPOYWCXJEGW-AWEZNQCLSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)C=C1CCC1 ZINC001276289616 808999067 /nfs/dbraw/zinc/99/90/67/808999067.db2.gz NNRCRVUQUIWHBM-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)C(C)C ZINC001276299012 808999968 /nfs/dbraw/zinc/99/99/68/808999968.db2.gz FOWNCNQSHGGYLJ-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H](NC(=O)CCC)C(C)(C)C1 ZINC001276554804 809015895 /nfs/dbraw/zinc/01/58/95/809015895.db2.gz GGAZBQAPVZJUSC-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]1CNC(=O)c1coc(C)c1 ZINC001276833025 809035451 /nfs/dbraw/zinc/03/54/51/809035451.db2.gz BESPVBCBEPGBDR-MRXNPFEDSA-N 1 1 292.423 3.363 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC(C)C)C[C@@H]2C1 ZINC001276838663 809035533 /nfs/dbraw/zinc/03/55/33/809035533.db2.gz BAIGSHAIMPIUMV-IXDOHACOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)CCC)C[C@@]2(C)C1 ZINC001276901471 809041481 /nfs/dbraw/zinc/04/14/81/809041481.db2.gz OKCSCXYEIIBFGV-NXHRZFHOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)C[C@H]2C=CCCC2)CC1 ZINC001277410788 809073000 /nfs/dbraw/zinc/07/30/00/809073000.db2.gz DOQWWBBXYLAXQO-INIZCTEOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC([N@H+](C)CCCC)CC1 ZINC001277424168 809074032 /nfs/dbraw/zinc/07/40/32/809074032.db2.gz ZZUYXXNZXAQDIF-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO CCCC[C@H](CC)C[N@H+]1CC[C@H]2[C@@H]1CCN2CCC#N ZINC001277936489 809107206 /nfs/dbraw/zinc/10/72/06/809107206.db2.gz IMTRGVFBWIMPEP-ULQDDVLXSA-N 1 1 277.456 3.265 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)C[C@@H](C)C2CC2)CC1 ZINC001278094937 809115136 /nfs/dbraw/zinc/11/51/36/809115136.db2.gz QDTDTYXFRFJGAG-GFCCVEGCSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CCCCC(=O)N[C@]1(C)CC[N@H+](CCCCC)C1 ZINC001278419715 809131312 /nfs/dbraw/zinc/13/13/12/809131312.db2.gz FISFBZIIDLRNOS-MRXNPFEDSA-N 1 1 266.429 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C2(CC)CC2)[C@@H]1C ZINC001278522522 809140644 /nfs/dbraw/zinc/14/06/44/809140644.db2.gz YZORGJUZIOYZNQ-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@]1(C)CCC[N@@H+](CC(C)C)C1 ZINC001278676895 809151527 /nfs/dbraw/zinc/15/15/27/809151527.db2.gz BXTFXIXQMMIKHN-ROUUACIJSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)[C@@H]1C[C@@H]1C1CCCC1)C(C)C ZINC001278926624 809156936 /nfs/dbraw/zinc/15/69/36/809156936.db2.gz SLSXRJPWJVIVHI-IAGOWNOFSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC ZINC001279231045 809167872 /nfs/dbraw/zinc/16/78/72/809167872.db2.gz WUULJBPYDKRTCE-MUJYYYPQSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CCC(=O)N1C[C@@H]2C[N@@H+](CC/C=C/CC)C[C@@H]2C1 ZINC001279370525 809172311 /nfs/dbraw/zinc/17/23/11/809172311.db2.gz FGRPBIXYYLTFHG-WZDWLKHJSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCC(C)C ZINC001279541939 809173327 /nfs/dbraw/zinc/17/33/27/809173327.db2.gz LURFEKUPAXYKAO-HUUCEWRRSA-N 1 1 298.858 3.240 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC(C)(C)C ZINC001279539529 809173224 /nfs/dbraw/zinc/17/32/24/809173224.db2.gz CMWWPWQYJFAFPY-JKSUJKDBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCC(C)C ZINC001279541939 809173331 /nfs/dbraw/zinc/17/33/31/809173331.db2.gz LURFEKUPAXYKAO-HUUCEWRRSA-N 1 1 298.858 3.240 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)/C(C)=C/CC ZINC001279542164 809173605 /nfs/dbraw/zinc/17/36/05/809173605.db2.gz MNEPVPIEAFBKSX-ACCWSSFSSA-N 1 1 296.842 3.161 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)/C(C)=C/CC ZINC001279542164 809173609 /nfs/dbraw/zinc/17/36/09/809173609.db2.gz MNEPVPIEAFBKSX-ACCWSSFSSA-N 1 1 296.842 3.161 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)C[C@@H]2CC[C@@H](C)C2)CC1 ZINC001279613327 809175710 /nfs/dbraw/zinc/17/57/10/809175710.db2.gz BJOJJBLUFYINST-NVXWUHKLSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCN(C)C(=O)C(C)(C)C ZINC001280880914 809203362 /nfs/dbraw/zinc/20/33/62/809203362.db2.gz MQRJWIZKYUZRFT-CQSZACIVSA-N 1 1 268.445 3.168 20 30 CGEDMO CC#CC[N@H+]1Cc2ccc(CNC(=O)C(CC)CC)cc2C1 ZINC001281284773 809207683 /nfs/dbraw/zinc/20/76/83/809207683.db2.gz IXFIKAXMBMCYBF-UHFFFAOYSA-N 1 1 298.430 3.078 20 30 CGEDMO CC#CC[N@@H+]1Cc2ccc(CNC(=O)C(CC)CC)cc2C1 ZINC001281284773 809207685 /nfs/dbraw/zinc/20/76/85/809207685.db2.gz IXFIKAXMBMCYBF-UHFFFAOYSA-N 1 1 298.430 3.078 20 30 CGEDMO C#CCCCCC(=O)N[C@@H]1CC[N@H+](CCC(C)C)[C@H](C)C1 ZINC001281657410 809216168 /nfs/dbraw/zinc/21/61/68/809216168.db2.gz CWTPMVQZEGYEMA-IAGOWNOFSA-N 1 1 292.467 3.195 20 30 CGEDMO CC#CCCCC(=O)N[C@H]1CC[N@@H+](CC=C(C)C)[C@@H](C)C1 ZINC001281675577 809217594 /nfs/dbraw/zinc/21/75/94/809217594.db2.gz MMLSPXSQCZMJQB-IRXDYDNUSA-N 1 1 290.451 3.115 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)c1ccc(C)s1 ZINC001282345024 809241725 /nfs/dbraw/zinc/24/17/25/809241725.db2.gz YZXJMPPMVHHUJA-LBPRGKRZSA-N 1 1 280.437 3.073 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1ccccc1 ZINC001282344613 809241867 /nfs/dbraw/zinc/24/18/67/809241867.db2.gz XBUBBXALDWNQOR-GJZGRUSLSA-N 1 1 274.408 3.091 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)c1ccoc1C1CC1 ZINC001282451050 809248811 /nfs/dbraw/zinc/24/88/11/809248811.db2.gz RMBYFGKZLOZUHB-ZDUSSCGKSA-N 1 1 290.407 3.173 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)C1(CC)CCCCC1 ZINC001282497643 809252596 /nfs/dbraw/zinc/25/25/96/809252596.db2.gz PKEIYXCDMAYPHA-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](F)CC ZINC001282667242 809258366 /nfs/dbraw/zinc/25/83/66/809258366.db2.gz XETYEPMETGWTQC-HUUCEWRRSA-N 1 1 284.419 3.062 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCCCC[N@@H+]1CCC(=C)C ZINC001282661155 809258390 /nfs/dbraw/zinc/25/83/90/809258390.db2.gz HLVXUADWKOTBOX-MRXNPFEDSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CC[N@H+]1CCCCC[C@H]1CNC(=O)CCCC1CC1 ZINC001282674569 809259870 /nfs/dbraw/zinc/25/98/70/809259870.db2.gz GKQGFMCGOQCQJP-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@](C)(F)CCCC)C(C)(C)C1 ZINC001282812270 809263912 /nfs/dbraw/zinc/26/39/12/809263912.db2.gz NDJBGBBBNSVNIP-RHSMWYFYSA-N 1 1 298.446 3.308 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H]1C[N@@H+](CC2CCC2)CC1(C)C ZINC001282824876 809265745 /nfs/dbraw/zinc/26/57/45/809265745.db2.gz VWDMNUFTHCXUPY-ZBFHGGJFSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)/C=C(/C)C3CC3)CCC[C@@H]12 ZINC001284045659 809294166 /nfs/dbraw/zinc/29/41/66/809294166.db2.gz PDTIFBAWOGJPLC-DFFIMDOXSA-N 1 1 288.435 3.032 20 30 CGEDMO C=CCCCC(=O)N[C@]12CCC[C@H]1[N@@H+](C[C@H](F)CC)CC2 ZINC001284070324 809295417 /nfs/dbraw/zinc/29/54/17/809295417.db2.gz SKXJAUOFRKCCMP-INMHGKMJSA-N 1 1 296.430 3.204 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CCCCC)[C@@H]1C ZINC001284118536 809296619 /nfs/dbraw/zinc/29/66/19/809296619.db2.gz JWKYPQKGCUFURW-LSDHHAIUSA-N 1 1 266.429 3.112 20 30 CGEDMO CCC#C[C@@H](C)N1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001175351349 809373261 /nfs/dbraw/zinc/37/32/61/809373261.db2.gz LDBVKYPPTWBNBP-QZTJIDSGSA-N 1 1 276.468 3.375 20 30 CGEDMO Cn1c[nH+]c2cccc(Nc3cc(F)cc(C#N)c3)c21 ZINC001175684172 809503357 /nfs/dbraw/zinc/50/33/57/809503357.db2.gz CUKPRTBMHBNYOV-UHFFFAOYSA-N 1 1 266.279 3.328 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)c1coc2ccccc21 ZINC001297372903 809516414 /nfs/dbraw/zinc/51/64/14/809516414.db2.gz IMHXGGHICQSRLG-UHFFFAOYSA-N 1 1 286.375 3.013 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)[C@@H](CC)CC(C)C ZINC001297373335 809516501 /nfs/dbraw/zinc/51/65/01/809516501.db2.gz SLFDTLUNOSXQRH-HNNXBMFYSA-N 1 1 268.445 3.025 20 30 CGEDMO C[C@@H]1c2sccc2CC[N@H+]1Cc1cc(C#N)ccn1 ZINC001175832111 809551635 /nfs/dbraw/zinc/55/16/35/809551635.db2.gz VTKSGFPYMBFKAV-LLVKDONJSA-N 1 1 269.373 3.134 20 30 CGEDMO C[C@@H]1c2sccc2CC[N@@H+]1Cc1cc(C#N)ccn1 ZINC001175832111 809551642 /nfs/dbraw/zinc/55/16/42/809551642.db2.gz VTKSGFPYMBFKAV-LLVKDONJSA-N 1 1 269.373 3.134 20 30 CGEDMO Cn1c2ccccc2[nH+]c1Nc1ccc(F)c(C#N)c1 ZINC001176610759 809730334 /nfs/dbraw/zinc/73/03/34/809730334.db2.gz GRVXNJKYJLZZKU-UHFFFAOYSA-N 1 1 266.279 3.328 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@](C)(OC)C1CC1 ZINC001180280936 809988872 /nfs/dbraw/zinc/98/88/72/809988872.db2.gz QUFMXZLITVMLME-SFHVURJKSA-N 1 1 284.403 3.361 20 30 CGEDMO C=CCC[C@H]([NH2+][C@H]1CCC[C@H]1C(C)C)C(=O)OCC ZINC001181827416 810075146 /nfs/dbraw/zinc/07/51/46/810075146.db2.gz KZRBKBCSICGUSB-KKUMJFAQSA-N 1 1 267.413 3.299 20 30 CGEDMO CCCCC[N@@H+](C)CCC(=O)Nc1cccc(CC#N)c1 ZINC001181864723 810077379 /nfs/dbraw/zinc/07/73/79/810077379.db2.gz FHWNPNZTBQQSFH-UHFFFAOYSA-N 1 1 287.407 3.203 20 30 CGEDMO C=CC[C@@H](NC(=O)[C@H]1CC[N@H+](C(C)C)C1)c1ccccc1 ZINC001181981441 810087723 /nfs/dbraw/zinc/08/77/23/810087723.db2.gz ZXYLQZSWMOPDGQ-DLBZAZTESA-N 1 1 286.419 3.150 20 30 CGEDMO C=CC[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC001182001091 810089401 /nfs/dbraw/zinc/08/94/01/810089401.db2.gz IPFVLTXCTVQHDI-SJORKVTESA-N 1 1 286.419 3.294 20 30 CGEDMO C#CC[N@H+](Cc1cccc2c(OC)cccc12)C1CSC1 ZINC001183419324 810148010 /nfs/dbraw/zinc/14/80/10/810148010.db2.gz MXYHLNGRQLBXBN-UHFFFAOYSA-N 1 1 297.423 3.399 20 30 CGEDMO C=C1CC(C)(C(=O)Nc2ccnc(-c3cc(N)cc[nH+]3)c2)C1 ZINC001184780550 810219184 /nfs/dbraw/zinc/21/91/84/810219184.db2.gz TVGKMKQFSVTODG-UHFFFAOYSA-N 1 1 294.358 3.021 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@H+](CCC(=C)C)C[C@H]21 ZINC001188063969 810448709 /nfs/dbraw/zinc/44/87/09/810448709.db2.gz UKAQUXIBGQSTOR-JKSUJKDBSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CCC(C)C)C1 ZINC001188836351 810518330 /nfs/dbraw/zinc/51/83/30/810518330.db2.gz RAFNZIUAXLTNCW-HZPDHXFCSA-N 1 1 280.456 3.310 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[C@H]2C[N@H+](CCCCC)C[C@H]21 ZINC001188896964 810521047 /nfs/dbraw/zinc/52/10/47/810521047.db2.gz QUGWGJMLJDLDRG-IXDOHACOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)CCCC)C1 ZINC001189011335 810533842 /nfs/dbraw/zinc/53/38/42/810533842.db2.gz DOTPHPIBLLJLGI-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21 ZINC001189007646 810534029 /nfs/dbraw/zinc/53/40/29/810534029.db2.gz XVKSZOXWSZKNHL-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO Cc1ccc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)c(N)c1 ZINC001214178185 815377490 /nfs/dbraw/zinc/37/74/90/815377490.db2.gz WQJKIUDMZOROEU-UHFFFAOYSA-N 1 1 298.415 3.242 20 30 CGEDMO C=CCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2csc(C)c2)C1 ZINC001189318877 810556728 /nfs/dbraw/zinc/55/67/28/810556728.db2.gz RNOCDQNSWDJKPI-OAHLLOKOSA-N 1 1 292.448 3.055 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)/C=C\C(C)(C)C)C1 ZINC001189449400 810571334 /nfs/dbraw/zinc/57/13/34/810571334.db2.gz KUVVDLPOVQWXNX-KLQCNHIUSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001190156702 810611227 /nfs/dbraw/zinc/61/12/27/810611227.db2.gz UUNMKLQVBASRPS-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)c2cscc2Cl)C1 ZINC001190808253 810649705 /nfs/dbraw/zinc/64/97/05/810649705.db2.gz GYXSYUNVLDJMSP-LLVKDONJSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2C=CCCC2)C1 ZINC001190879059 810653764 /nfs/dbraw/zinc/65/37/64/810653764.db2.gz NVRVQOKQUXFFCZ-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@](C)(F)CCCC)C1 ZINC001191038742 810665642 /nfs/dbraw/zinc/66/56/42/810665642.db2.gz BQTNPWAPBMZGMS-GOEBONIOSA-N 1 1 284.419 3.014 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)C(CC)CC)C1 ZINC001191050631 810667063 /nfs/dbraw/zinc/66/70/63/810667063.db2.gz JTRSFSPUCVNKMU-HOCLYGCPSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C2(F)CCCC2)C1 ZINC001191061918 810668402 /nfs/dbraw/zinc/66/84/02/810668402.db2.gz NWTROIPRKBZTEW-GJZGRUSLSA-N 1 1 296.430 3.156 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](CC)C2)cc1 ZINC001191409894 810711978 /nfs/dbraw/zinc/71/19/78/810711978.db2.gz XOFMJCGKGLURQA-INIZCTEOSA-N 1 1 284.403 3.119 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001191781684 810740677 /nfs/dbraw/zinc/74/06/77/810740677.db2.gz SMJRIQGSEOKYBQ-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)C2(CC)CCC2)C1 ZINC001191819930 810745655 /nfs/dbraw/zinc/74/56/55/810745655.db2.gz VEFGKCAGEQQRPG-HOTGVXAUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C/C=C(\C)C=C)C1 ZINC001191827166 810747779 /nfs/dbraw/zinc/74/77/79/810747779.db2.gz AGTWTBPLNJDDOM-LRQZKABGSA-N 1 1 276.424 3.008 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)CC(=C)C)C1 ZINC001191867737 810752633 /nfs/dbraw/zinc/75/26/33/810752633.db2.gz HRJPFQWIJWCRSB-HOTGVXAUSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)CC(=C)C)C1 ZINC001191913273 810755794 /nfs/dbraw/zinc/75/57/94/810755794.db2.gz VKYLUMVZVDMVJI-HOTGVXAUSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[C@H]([N@H+](C)CCCCC)C1 ZINC001192162277 810772934 /nfs/dbraw/zinc/77/29/34/810772934.db2.gz NRZKKUVHEUFVFZ-DOTOQJQBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C2(CCC)CC2)C1 ZINC001192266650 810782606 /nfs/dbraw/zinc/78/26/06/810782606.db2.gz HHUDCLSQTUAUFT-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@@H]([N@H+](C)CC/C=C/CC)C1 ZINC001192586379 810808711 /nfs/dbraw/zinc/80/87/11/810808711.db2.gz NPPPMFUTOAPCQQ-ROJDOSBLSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C2(F)CCCCC2)C1 ZINC001193244024 810866352 /nfs/dbraw/zinc/86/63/52/810866352.db2.gz KSWDOFPQSZABLU-HNNXBMFYSA-N 1 1 296.430 3.158 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC23CCCC3)C1 ZINC001193279956 810867342 /nfs/dbraw/zinc/86/73/42/810867342.db2.gz RUQCGIZWHHNWMC-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001193579088 810912779 /nfs/dbraw/zinc/91/27/79/810912779.db2.gz KUKRHWIIVURIDZ-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)C[C@@H]1CCCC12CCOCC2 ZINC001193920072 810980202 /nfs/dbraw/zinc/98/02/02/810980202.db2.gz JCWFOVMCBOPOIX-KRWDZBQOSA-N 1 1 294.483 3.023 20 30 CGEDMO CCCCCCCC[N@@H+](C)CCN1CCOC(C)(C)C1 ZINC001193978200 810993621 /nfs/dbraw/zinc/99/36/21/810993621.db2.gz ZZDIMYFPIRUWHC-UHFFFAOYSA-N 1 1 284.488 3.390 20 30 CGEDMO C#CCCCCCC[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC001194020834 811003878 /nfs/dbraw/zinc/00/38/78/811003878.db2.gz QPRQIHJRMPGHNF-HNNXBMFYSA-N 1 1 251.414 3.317 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001194358592 811058412 /nfs/dbraw/zinc/05/84/12/811058412.db2.gz JZJZKPXRUAUSMJ-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC001194467609 811080877 /nfs/dbraw/zinc/08/08/77/811080877.db2.gz SMMVQHOOBORQAW-CYBMUJFWSA-N 1 1 278.193 3.262 20 30 CGEDMO CC#CC[N@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC001194467609 811080884 /nfs/dbraw/zinc/08/08/84/811080884.db2.gz SMMVQHOOBORQAW-CYBMUJFWSA-N 1 1 278.193 3.262 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)CCC(C)C)CC1 ZINC001194795635 811135925 /nfs/dbraw/zinc/13/59/25/811135925.db2.gz SQRQGCLJULWMGM-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC(=O)N1CCC[N@@H+](CC2CCCCCC2)CC1 ZINC001195226541 811229094 /nfs/dbraw/zinc/22/90/94/811229094.db2.gz SICZCTQMVSURBQ-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC001195287180 811238090 /nfs/dbraw/zinc/23/80/90/811238090.db2.gz BEXUHWWFHAVFMU-ZIAGYGMSSA-N 1 1 267.413 3.395 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@@H](C)CCCC)CC1 ZINC001195727228 811281898 /nfs/dbraw/zinc/28/18/98/811281898.db2.gz ICFRZCYOGGRBAC-INIZCTEOSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[N@H+](C[C@H](C)CC)CC1 ZINC001195981722 811308671 /nfs/dbraw/zinc/30/86/71/811308671.db2.gz DRPLHHMYQDKINJ-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C/C(C)=C/CC(=O)N1CCC[N@H+](CCC(=C)C)CC1 ZINC001196823351 811370324 /nfs/dbraw/zinc/37/03/24/811370324.db2.gz IGGGPJABVOGKFR-FRKPEAEDSA-N 1 1 276.424 3.009 20 30 CGEDMO C=CC[C@H](C(=O)OC)[N@@H+](C)C[C@H](C)C1CCCCC1 ZINC001196817895 811371207 /nfs/dbraw/zinc/37/12/07/811371207.db2.gz CSVWGVIYJPTPRR-DZGCQCFKSA-N 1 1 267.413 3.252 20 30 CGEDMO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC[N@H+](CCC(C)C)CC1 ZINC001196829712 811372365 /nfs/dbraw/zinc/37/23/65/811372365.db2.gz HSDMRFFYZLYECN-HZPDHXFCSA-N 1 1 280.456 3.025 20 30 CGEDMO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@@H+](CC2CCCC2)CC1 ZINC001196831089 811372733 /nfs/dbraw/zinc/37/27/33/811372733.db2.gz ODQAUMTWPKYEQL-HOTGVXAUSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@H](C)CC(=C)C)CC1 ZINC001196895221 811379847 /nfs/dbraw/zinc/37/98/47/811379847.db2.gz HXSYMYZJRDJLHG-MRXNPFEDSA-N 1 1 278.440 3.089 20 30 CGEDMO CCCCCCCC[N@H+]1CCCC[C@H]1CNC(=O)NC ZINC001196944233 811385335 /nfs/dbraw/zinc/38/53/35/811385335.db2.gz UNYCVKFBLZPXDV-HNNXBMFYSA-N 1 1 283.460 3.130 20 30 CGEDMO Clc1ccc(C#CC[N@H+]2CC[C@H]3CSC[C@H]3C2)cc1 ZINC001197032789 811391166 /nfs/dbraw/zinc/39/11/66/811391166.db2.gz SKILVWIQARMDPI-LSDHHAIUSA-N 1 1 291.847 3.376 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)c2occc2Cl)CC1 ZINC001197055517 811395385 /nfs/dbraw/zinc/39/53/85/811395385.db2.gz UBEBSQIRLUEHSR-UHFFFAOYSA-N 1 1 296.798 3.047 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)C2(CCCC)CC2)CC1 ZINC001197069175 811397175 /nfs/dbraw/zinc/39/71/75/811397175.db2.gz SXKCGTBOMYKPPT-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2CC)CC1 ZINC001197196584 811404839 /nfs/dbraw/zinc/40/48/39/811404839.db2.gz XKBJTDNOOIYEEO-IAGOWNOFSA-N 1 1 292.467 3.313 20 30 CGEDMO CC#CC[N@@H+]1CCCN(C(=O)C[C@H](C)CC(C)(C)C)CC1 ZINC001197269096 811407585 /nfs/dbraw/zinc/40/75/85/811407585.db2.gz CHDAMVMNSXLIDL-INIZCTEOSA-N 1 1 292.467 3.006 20 30 CGEDMO CC#CC[N@H+]1CCCN(C(=O)C[C@H](C)CC(C)(C)C)CC1 ZINC001197269096 811407590 /nfs/dbraw/zinc/40/75/90/811407590.db2.gz CHDAMVMNSXLIDL-INIZCTEOSA-N 1 1 292.467 3.006 20 30 CGEDMO C#CCC[N@@H+]1CCCN(C(=O)[C@@H](C)CCCCCC)CC1 ZINC001197519596 811426886 /nfs/dbraw/zinc/42/68/86/811426886.db2.gz PYAJRAPPWXKYGN-KRWDZBQOSA-N 1 1 292.467 3.151 20 30 CGEDMO CCOC(=O)[C@@H](CC1CC1)[NH2+]CCCCC(C)(C)C#N ZINC001197535260 811428331 /nfs/dbraw/zinc/42/83/31/811428331.db2.gz ZAPIAGPEXQILJC-CQSZACIVSA-N 1 1 280.412 3.028 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](CC2(O)CCC(c3ccccc3)CC2)C1 ZINC001197700848 811447451 /nfs/dbraw/zinc/44/74/51/811447451.db2.gz ABTAMXDCJDQYIS-QHGAOEGBSA-N 1 1 297.442 3.421 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)C[C@H](C)C(C)(C)C)CC1 ZINC001197957450 811467869 /nfs/dbraw/zinc/46/78/69/811467869.db2.gz IBNXSPHJTVLAQY-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1OC ZINC001198414371 811499532 /nfs/dbraw/zinc/49/95/32/811499532.db2.gz OMZBTTYJQDKCND-MRXNPFEDSA-N 1 1 270.376 3.497 20 30 CGEDMO N#CCC1CC[NH+](Cc2cc(Br)co2)CC1 ZINC001232854698 818456378 /nfs/dbraw/zinc/45/63/78/818456378.db2.gz PNNYVQCPJIXEHJ-UHFFFAOYSA-N 1 1 283.169 3.168 20 30 CGEDMO COc1ccc(Nc2[nH+]cc(C)cc2C)cc1C#N ZINC001214996084 815473950 /nfs/dbraw/zinc/47/39/50/815473950.db2.gz YCNQQLQSCKSIER-UHFFFAOYSA-N 1 1 253.305 3.322 20 30 CGEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](CC(C)(C)C)CCO2 ZINC001201434486 811845502 /nfs/dbraw/zinc/84/55/02/811845502.db2.gz BDENWPSERXXATP-DOTOQJQBSA-N 1 1 281.440 3.106 20 30 CGEDMO CC[C@@H](C)C[N@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001201516417 811877697 /nfs/dbraw/zinc/87/76/97/811877697.db2.gz XZUASSKDNDHQKS-PBHICJAKSA-N 1 1 272.392 3.448 20 30 CGEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](CCC(C)C)CCO2 ZINC001201620412 811921607 /nfs/dbraw/zinc/92/16/07/811921607.db2.gz NZZCWCGELPQYPR-DLBZAZTESA-N 1 1 281.440 3.106 20 30 CGEDMO CCCCCCCCCC[N@H+]1CCOC[C@@](C)(O)C1 ZINC001201852582 811972902 /nfs/dbraw/zinc/97/29/02/811972902.db2.gz DIXLSIXMSLRSBV-INIZCTEOSA-N 1 1 271.445 3.210 20 30 CGEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](CC1CCCC1)C2 ZINC001202167269 812026674 /nfs/dbraw/zinc/02/66/74/812026674.db2.gz NQLFTXKSEPHPMS-DLBZAZTESA-N 1 1 279.424 3.003 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc(C)c1C ZINC001202709381 812155441 /nfs/dbraw/zinc/15/54/41/812155441.db2.gz GCCQQNZEQAXPMS-HNNXBMFYSA-N 1 1 287.407 3.075 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(C)c(C)c1 ZINC001202836495 812184659 /nfs/dbraw/zinc/18/46/59/812184659.db2.gz SAIUZIKACLIABS-INIZCTEOSA-N 1 1 287.407 3.075 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cccc(OC)c1OC ZINC001203453496 812363253 /nfs/dbraw/zinc/36/32/53/812363253.db2.gz YQEPMOHPXAHNGN-UHFFFAOYSA-N 1 1 263.381 3.492 20 30 CGEDMO C[N@@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1ccc(C#N)cc1 ZINC001203904756 812488331 /nfs/dbraw/zinc/48/83/31/812488331.db2.gz FZPPFHPUCMEVLI-RBUKOAKNSA-N 1 1 297.446 3.397 20 30 CGEDMO C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1ccc(C#N)cc1 ZINC001203904756 812488333 /nfs/dbraw/zinc/48/83/33/812488333.db2.gz FZPPFHPUCMEVLI-RBUKOAKNSA-N 1 1 297.446 3.397 20 30 CGEDMO Cc1cn2cc(Nc3ccc(C#N)c(F)c3)ccc2[nH+]1 ZINC001204054530 812536016 /nfs/dbraw/zinc/53/60/16/812536016.db2.gz VAMQKYYFSPQHBZ-UHFFFAOYSA-N 1 1 266.279 3.397 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H](C#N)CC2)cc1 ZINC001204303908 812607103 /nfs/dbraw/zinc/60/71/03/812607103.db2.gz RWDDYDGAKTVIQF-OAHLLOKOSA-N 1 1 270.376 3.377 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CC[C@@](CF)(C(F)(F)F)C1 ZINC001204368724 812622614 /nfs/dbraw/zinc/62/26/14/812622614.db2.gz VGEAKCALULBDMM-ZDUSSCGKSA-N 1 1 286.272 3.282 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CC[C@@](CF)(C(F)(F)F)C1 ZINC001204368724 812622618 /nfs/dbraw/zinc/62/26/18/812622618.db2.gz VGEAKCALULBDMM-ZDUSSCGKSA-N 1 1 286.272 3.282 20 30 CGEDMO N#Cc1ccccc1C[N@@H+](C1CCC1)C1CCOCC1 ZINC001204374823 812622694 /nfs/dbraw/zinc/62/26/94/812622694.db2.gz JEDAVUXDGAFQMZ-UHFFFAOYSA-N 1 1 270.376 3.092 20 30 CGEDMO N#Cc1cc(C[NH+]2CC(c3ccccc3)C2)ccc1F ZINC001205493707 812991929 /nfs/dbraw/zinc/99/19/29/812991929.db2.gz LBGOHBKCKZAFIS-UHFFFAOYSA-N 1 1 266.319 3.297 20 30 CGEDMO C[N@H+](Cc1ccc(F)c(C#N)c1)C[C@@H]1Cc2ccccc2O1 ZINC001205514162 812992833 /nfs/dbraw/zinc/99/28/33/812992833.db2.gz XVSXAGLLDZVHEP-INIZCTEOSA-N 1 1 296.345 3.133 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2c3c(nn2C)CCC3)CCCC1(C)C ZINC001205567393 813006667 /nfs/dbraw/zinc/00/66/67/813006667.db2.gz BFYBNBAOFUGYOE-QGZVFWFLSA-N 1 1 287.451 3.476 20 30 CGEDMO C=CCCCCCCN1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205762391 813068937 /nfs/dbraw/zinc/06/89/37/813068937.db2.gz LURCYWZBXWTWGU-CYBMUJFWSA-N 1 1 260.372 3.039 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2F)C1 ZINC001206028017 813171954 /nfs/dbraw/zinc/17/19/54/813171954.db2.gz HIYTXLSPEYCTBQ-NSHDSACASA-N 1 1 251.732 3.324 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2F)C1 ZINC001206028017 813171958 /nfs/dbraw/zinc/17/19/58/813171958.db2.gz HIYTXLSPEYCTBQ-NSHDSACASA-N 1 1 251.732 3.324 20 30 CGEDMO C[C@H]1Oc2ccccc2[C@@H]1[NH2+]CC#Cc1ccccc1 ZINC001206108307 813201638 /nfs/dbraw/zinc/20/16/38/813201638.db2.gz DAUMTDHIVKGMQD-RDTXWAMCSA-N 1 1 263.340 3.150 20 30 CGEDMO Cc1nc(C)c(C[N@@H+]2CCc3ccc(C#N)cc3C2)s1 ZINC001206151515 813214977 /nfs/dbraw/zinc/21/49/77/813214977.db2.gz VRTYXMAVNVDQCQ-UHFFFAOYSA-N 1 1 283.400 3.190 20 30 CGEDMO Cc1nc(C)c(C[N@H+]2CCc3ccc(C#N)cc3C2)s1 ZINC001206151515 813214980 /nfs/dbraw/zinc/21/49/80/813214980.db2.gz VRTYXMAVNVDQCQ-UHFFFAOYSA-N 1 1 283.400 3.190 20 30 CGEDMO C=CCCCCCC[N@@H+]1CCCC[C@@](F)(CN)C1 ZINC001206337269 813294123 /nfs/dbraw/zinc/29/41/23/813294123.db2.gz RLGNPGHQSBVRSH-OAHLLOKOSA-N 1 1 256.409 3.276 20 30 CGEDMO C=CCCCCCCN1CCCC[C@@](F)(C[NH3+])C1 ZINC001206337269 813294126 /nfs/dbraw/zinc/29/41/26/813294126.db2.gz RLGNPGHQSBVRSH-OAHLLOKOSA-N 1 1 256.409 3.276 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](CC2(CCCOC)CCC2)C1 ZINC001206409586 813315902 /nfs/dbraw/zinc/31/59/02/813315902.db2.gz LIPHIMJAIGPPFV-INIZCTEOSA-N 1 1 263.425 3.319 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1Nc1ccc(C#N)c(F)c1F ZINC001206743553 813417545 /nfs/dbraw/zinc/41/75/45/813417545.db2.gz NBCVKCHMUZXUNS-UHFFFAOYSA-N 1 1 288.301 3.350 20 30 CGEDMO Cc1cc(Nc2c[nH+]c(N(C)C)cc2C)ccc1C#N ZINC001206749228 813419978 /nfs/dbraw/zinc/41/99/78/813419978.db2.gz ZRQKWXVZGONPFC-UHFFFAOYSA-N 1 1 266.348 3.380 20 30 CGEDMO Fc1cnccc1C[NH+]1CCC(C#Cc2ccccc2)CC1 ZINC001206787966 813436883 /nfs/dbraw/zinc/43/68/83/813436883.db2.gz RPAIPHWMMSXMMF-UHFFFAOYSA-N 1 1 294.373 3.484 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2(C)CCCC2)C1 ZINC001206936241 813459343 /nfs/dbraw/zinc/45/93/43/813459343.db2.gz OGGABSTUIZVNPB-TZMCWYRMSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2(C)CCCC2)C1 ZINC001206936241 813459346 /nfs/dbraw/zinc/45/93/46/813459346.db2.gz OGGABSTUIZVNPB-TZMCWYRMSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](C)CC)C[C@H]1C ZINC001207107194 813487073 /nfs/dbraw/zinc/48/70/73/813487073.db2.gz AYJMZXGZXSLNGY-ZMSDIMECSA-N 1 1 292.467 3.237 20 30 CGEDMO C=CCN(CC[N@@H+]1CCC[C@@H]1CC)C(=O)OC(C)(C)C ZINC001207205459 813515199 /nfs/dbraw/zinc/51/51/99/813515199.db2.gz IXACPIRNDHIRML-AWEZNQCLSA-N 1 1 282.428 3.284 20 30 CGEDMO C=CCN(CC[N@H+]1CC2CCC1CC2)C(=O)OC(C)(C)C ZINC001207203682 813515417 /nfs/dbraw/zinc/51/54/17/813515417.db2.gz NBSOGAQZHFICTJ-UHFFFAOYSA-N 1 1 294.439 3.284 20 30 CGEDMO C=C(C)C[N@H+](CC)CC12CC(NC(=O)OC(C)(C)C)(C1)C2 ZINC001207272188 813528193 /nfs/dbraw/zinc/52/81/93/813528193.db2.gz XXUOIPRCLWNRPZ-UHFFFAOYSA-N 1 1 294.439 3.332 20 30 CGEDMO CC1(C)C[C@@H](C[N@H+]2CCc3cc(C#N)ccc3C2)CCO1 ZINC001207352182 813547565 /nfs/dbraw/zinc/54/75/65/813547565.db2.gz FGIINWSFWRHIDP-HNNXBMFYSA-N 1 1 284.403 3.122 20 30 CGEDMO CCCC[N@@H+](CCC#N)CCc1cccc(OC)c1 ZINC001207426692 813564033 /nfs/dbraw/zinc/56/40/33/813564033.db2.gz ASTMDXUMYSPSHW-UHFFFAOYSA-N 1 1 260.381 3.253 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@@H+](CCc1ccc(F)cc1)CC2 ZINC001207511378 813581312 /nfs/dbraw/zinc/58/13/12/813581312.db2.gz MFEFPOCQSDZDNI-UHFFFAOYSA-N 1 1 280.346 3.298 20 30 CGEDMO Cc1cccc(CC[N@H+]2CCc3cc(C#N)ccc3C2)c1 ZINC001207532975 813589081 /nfs/dbraw/zinc/58/90/81/813589081.db2.gz LXMCOXXARHGDRO-UHFFFAOYSA-N 1 1 276.383 3.468 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](CCc2ccccc2Br)C1 ZINC001207531503 813589268 /nfs/dbraw/zinc/58/92/68/813589268.db2.gz VDFDOYCPFGGCOC-CYBMUJFWSA-N 1 1 292.220 3.337 20 30 CGEDMO CC1(C[N@@H+](CCC#N)Cc2ccccc2)CCOCC1 ZINC001207964573 813680910 /nfs/dbraw/zinc/68/09/10/813680910.db2.gz OWULKSUMQQVGBG-UHFFFAOYSA-N 1 1 272.392 3.219 20 30 CGEDMO CCCCCCC/C=C/C[N@@H+]1CCO[C@@H]2C[C@@H](CO)C[C@H]21 ZINC001208119698 813697808 /nfs/dbraw/zinc/69/78/08/813697808.db2.gz GBQRCCWWUGUIDL-APKOXFAHSA-N 1 1 295.467 3.375 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CCO[C@@H]2C[C@@H](CO)C[C@H]21 ZINC001208119698 813697812 /nfs/dbraw/zinc/69/78/12/813697812.db2.gz GBQRCCWWUGUIDL-APKOXFAHSA-N 1 1 295.467 3.375 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CC[C@@H](N(C)C(C)=O)C1 ZINC001208124549 813698240 /nfs/dbraw/zinc/69/82/40/813698240.db2.gz RYDVBJIICAELQV-SXSDINLZSA-N 1 1 280.456 3.456 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@H](O)[C@H](F)CC2)CC1 ZINC001208171479 813725694 /nfs/dbraw/zinc/72/56/94/813725694.db2.gz USBFFIPGBWILFU-BZUAXINKSA-N 1 1 267.388 3.084 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@H](C)[C@H](O)CC2)CC1 ZINC001208171699 813726019 /nfs/dbraw/zinc/72/60/19/813726019.db2.gz XMSYSHPOPCQICN-DJIMGWMZSA-N 1 1 263.425 3.382 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)CC1 ZINC001208171445 813726208 /nfs/dbraw/zinc/72/62/08/813726208.db2.gz TYIQBENRSQSSAN-OAGGEKHMSA-N 1 1 259.393 3.485 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@H]3COC[C@@H]3C2)CC1 ZINC001208176406 813727954 /nfs/dbraw/zinc/72/79/54/813727954.db2.gz CKUANLFBUQHCIO-IKGGRYGDSA-N 1 1 261.409 3.257 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H](C)C[C@H](C(=O)OC)C2)CC1 ZINC001208178631 813728522 /nfs/dbraw/zinc/72/85/22/813728522.db2.gz VBPPMTHZDBMKBK-UAGQMJEPSA-N 1 1 291.435 3.420 20 30 CGEDMO CC#CCCCC(=O)N[C@@H]1C[N@@H+](CCCC(C)C)C[C@H]1C ZINC001208374810 813758239 /nfs/dbraw/zinc/75/82/39/813758239.db2.gz XZDNVOSKXFUITI-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO CC#CCCCC(=O)N[C@@H]1C[N@@H+](CCCCCC)C[C@H]1C ZINC001208374678 813758358 /nfs/dbraw/zinc/75/83/58/813758358.db2.gz SETBKLXRCZUANI-IAGOWNOFSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CC/C=C\CC)C[C@H]1C ZINC001208388654 813758561 /nfs/dbraw/zinc/75/85/61/813758561.db2.gz NWUGSBJUBDXVJM-BEKDMHARSA-N 1 1 292.467 3.382 20 30 CGEDMO C[C@]1(F)CC[N@@H+](CCCc2cccc(C#N)c2)C[C@H]1F ZINC001208846105 813863183 /nfs/dbraw/zinc/86/31/83/813863183.db2.gz WXLYIXZGTCPDJX-CVEARBPZSA-N 1 1 278.346 3.263 20 30 CGEDMO N#Cc1cccc(CCC[N@H+]2CCc3cccc(O)c3C2)c1 ZINC001208850807 813863972 /nfs/dbraw/zinc/86/39/72/813863972.db2.gz JFMSOOKOKZYEKV-UHFFFAOYSA-N 1 1 292.382 3.255 20 30 CGEDMO C[N@@H+](CCCc1ccc(C#N)cc1)CCc1cccnc1 ZINC001208863062 813871859 /nfs/dbraw/zinc/87/18/59/813871859.db2.gz VCBLMQFCGTVYSS-UHFFFAOYSA-N 1 1 279.387 3.060 20 30 CGEDMO N#Cc1ccc(CCC[N@H+]2CCc3cccc(O)c3C2)cc1 ZINC001208863610 813871873 /nfs/dbraw/zinc/87/18/73/813871873.db2.gz AHCIOPYFCCTNGP-UHFFFAOYSA-N 1 1 292.382 3.255 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001208867701 813875443 /nfs/dbraw/zinc/87/54/43/813875443.db2.gz HQXJUDGLEPOIDN-BZUAXINKSA-N 1 1 294.483 3.461 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCC[C@H]2c2nccs2)cc1 ZINC001208928221 813901167 /nfs/dbraw/zinc/90/11/67/813901167.db2.gz ZNXSZNTVMAQDCO-HNNXBMFYSA-N 1 1 283.400 3.394 20 30 CGEDMO C=CCCCC[N@H+]1CCCn2cnc(COC(C)C)c2C1 ZINC001209202486 813966333 /nfs/dbraw/zinc/96/63/33/813966333.db2.gz IIGYJMNLCZZVMQ-UHFFFAOYSA-N 1 1 291.439 3.370 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@]2(CCC(=O)N2CC=C)CC1 ZINC001209203801 813967006 /nfs/dbraw/zinc/96/70/06/813967006.db2.gz VZRQAKUIZXWJSK-SFHVURJKSA-N 1 1 290.451 3.376 20 30 CGEDMO CC1(C#N)CC[NH+](CCc2cc(F)c(F)cc2F)CC1 ZINC001209252254 813982625 /nfs/dbraw/zinc/98/26/25/813982625.db2.gz JWLXIJIFRJXXJJ-UHFFFAOYSA-N 1 1 282.309 3.272 20 30 CGEDMO C#CCCC[N@@H+](Cc1ccccc1)Cc1cccnc1 ZINC001209265693 813988071 /nfs/dbraw/zinc/98/80/71/813988071.db2.gz DEFCDVBCEYPBJB-UHFFFAOYSA-N 1 1 264.372 3.497 20 30 CGEDMO C#CCCC[N@H+](C)[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001209267899 813989673 /nfs/dbraw/zinc/98/96/73/813989673.db2.gz NUIHLXZIDTUJSM-QGZVFWFLSA-N 1 1 294.439 3.121 20 30 CGEDMO C=CCCCCC[N@@H+]1CCN(C)c2ncccc2C1 ZINC001209424328 814025551 /nfs/dbraw/zinc/02/55/51/814025551.db2.gz PMEDEGCZKCTDCK-UHFFFAOYSA-N 1 1 259.397 3.080 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC001209424969 814026031 /nfs/dbraw/zinc/02/60/31/814026031.db2.gz XTYYKHBPBLMYOR-ZWKOTPCHSA-N 1 1 273.420 3.411 20 30 CGEDMO C=CCCCCCC[N@@H+]1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001209431824 814032217 /nfs/dbraw/zinc/03/22/17/814032217.db2.gz UOTWEMCNNXNESK-OLZOCXBDSA-N 1 1 279.346 3.226 20 30 CGEDMO C=CCCCCCC[N@@H+]1CCCC[C@](O)(CF)C1 ZINC001209431461 814032242 /nfs/dbraw/zinc/03/22/42/814032242.db2.gz OPTDCVHLTOLWQF-HNNXBMFYSA-N 1 1 257.393 3.309 20 30 CGEDMO C=CCCCCCC[N@@H+]1CCC[C@H](C(=O)OC)[C@@H]1C ZINC001209435425 814036247 /nfs/dbraw/zinc/03/62/47/814036247.db2.gz CRWKPYJXZFHYAN-GJZGRUSLSA-N 1 1 267.413 3.396 20 30 CGEDMO C=CCCCCCC[N@@H+]1CC[C@H](Oc2ncc(F)cn2)C1 ZINC001209438041 814036532 /nfs/dbraw/zinc/03/65/32/814036532.db2.gz CUINCCGCAUZOKL-HNNXBMFYSA-N 1 1 293.386 3.205 20 30 CGEDMO C=CCCCCCC[N@H+]1CCC[C@@]2(CCC(=O)O2)C1 ZINC001209440519 814040503 /nfs/dbraw/zinc/04/05/03/814040503.db2.gz LSPWDCHHXSEXDQ-MRXNPFEDSA-N 1 1 265.397 3.295 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CCO[C@@H](C(=O)OCC)C1 ZINC001209444387 814045049 /nfs/dbraw/zinc/04/50/49/814045049.db2.gz PWVFSSDXWXIOQT-MRXNPFEDSA-N 1 1 297.439 3.167 20 30 CGEDMO C=CCCCCCCCC[N@H+]1CCO[C@@H](C(=O)OCC)C1 ZINC001209444387 814045057 /nfs/dbraw/zinc/04/50/57/814045057.db2.gz PWVFSSDXWXIOQT-MRXNPFEDSA-N 1 1 297.439 3.167 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CC[C@H](N(C)C(C)=O)C1 ZINC001209445178 814045884 /nfs/dbraw/zinc/04/58/84/814045884.db2.gz GJOVQZMYEQWGTQ-KRWDZBQOSA-N 1 1 280.456 3.456 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccc3cc[nH]c3c2)CC1 ZINC001209515347 814069872 /nfs/dbraw/zinc/06/98/72/814069872.db2.gz SPJVUBMJBDGVQZ-CYBMUJFWSA-N 1 1 253.349 3.294 20 30 CGEDMO C=CC[N@H+](Cc1c(C)nc2ccccn21)C(C)(C)C ZINC001209652318 814106740 /nfs/dbraw/zinc/10/67/40/814106740.db2.gz VRCYKHXPGSNWQO-UHFFFAOYSA-N 1 1 257.381 3.429 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cn2cccc(C)c2n1 ZINC001209741488 814127336 /nfs/dbraw/zinc/12/73/36/814127336.db2.gz WJBKTSGFLMMBMQ-UHFFFAOYSA-N 1 1 257.381 3.431 20 30 CGEDMO COc1cc(Nc2ccc3[nH]c[nH+]c3c2)ccc1C#N ZINC001209848231 814166070 /nfs/dbraw/zinc/16/60/70/814166070.db2.gz JDZUTCFRJQLNJA-UHFFFAOYSA-N 1 1 264.288 3.187 20 30 CGEDMO N#Cc1c(F)cc(Nc2ccc3[nH]c[nH+]c3c2)cc1F ZINC001209850996 814169513 /nfs/dbraw/zinc/16/95/13/814169513.db2.gz QAYNTHGYRIYAJV-UHFFFAOYSA-N 1 1 270.242 3.456 20 30 CGEDMO N#Cc1ncc(F)cc1Nc1ccc2c[nH+]ccc2c1 ZINC001210047272 814265659 /nfs/dbraw/zinc/26/56/59/814265659.db2.gz VEBKODFAYNPGSA-UHFFFAOYSA-N 1 1 264.263 3.384 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCCCC)C1 ZINC001210761523 814612720 /nfs/dbraw/zinc/61/27/20/814612720.db2.gz DBDGOSXMADLEAP-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO C[C@@H](C#N)c1ccc(NC(=O)[C@@H]([NH3+])c2ccsc2)cc1 ZINC001218871984 816256652 /nfs/dbraw/zinc/25/66/52/816256652.db2.gz ZCLXXMLIPDXVIK-HZMBPMFUSA-N 1 1 285.372 3.014 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C(F)=C(C)C)[C@@H]2C1 ZINC001221477213 816316543 /nfs/dbraw/zinc/31/65/43/816316543.db2.gz ONEPUJPQKNOOSE-RRFJBIMHSA-N 1 1 294.414 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)CCCC)[C@@H]2C1 ZINC001221521207 816317753 /nfs/dbraw/zinc/31/77/53/816317753.db2.gz GMIJHHGFJUUDDI-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC(C)(C)CC(=O)N1C[C@H]2CC[N@H+](C[C@@H](C)CC)C[C@H]21 ZINC001221577930 816320326 /nfs/dbraw/zinc/32/03/26/816320326.db2.gz MFLIZTBAEHBCQB-ARFHVFGLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCCC(=O)N1C[C@H]2CC[N@H+](CCC(C)(C)C)C[C@H]21 ZINC001221783022 816328368 /nfs/dbraw/zinc/32/83/68/816328368.db2.gz UUOZLPLXMUYXNC-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[N@H+](CCCCC)C[C@H]21 ZINC001221790478 816328607 /nfs/dbraw/zinc/32/86/07/816328607.db2.gz PXDGRTNRFFUIPS-JFIYKMOQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)CCCCCC)[C@@H]2C1 ZINC001221883645 816332082 /nfs/dbraw/zinc/33/20/82/816332082.db2.gz ORGZUGYQHFIGSG-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)CC(C)C)[C@@H]2C1 ZINC001221928761 816335714 /nfs/dbraw/zinc/33/57/14/816335714.db2.gz DZACHPKRUAYJTE-BRWVUGGUSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]2CC[N@H+](CCCC(C)C)[C@H]2C1 ZINC001222432340 816443687 /nfs/dbraw/zinc/44/36/87/816443687.db2.gz LLRVMUYZBYWTPL-SJORKVTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)/C=C/C(C)(C)C)C[C@@H]21 ZINC001222475133 816453811 /nfs/dbraw/zinc/45/38/11/816453811.db2.gz LFFMQXOLIQQIES-ZHANPKHBSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]2CC[N@H+](CCCCC)[C@H]2C1 ZINC001222788801 816517966 /nfs/dbraw/zinc/51/79/66/816517966.db2.gz BEHQWPHIZPJQQE-SJORKVTESA-N 1 1 292.467 3.456 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](OCc2ccc(C(C)(C)C#N)cc2)C1 ZINC001223156646 816578658 /nfs/dbraw/zinc/57/86/58/816578658.db2.gz GALCFAIXBVGJQA-QGZVFWFLSA-N 1 1 286.419 3.487 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C/C=C(/C)C=C)C[C@@H]21 ZINC001223291695 816599803 /nfs/dbraw/zinc/59/98/03/816599803.db2.gz JABNXDORWOWDFG-LDPQFBDASA-N 1 1 288.435 3.008 20 30 CGEDMO C=CC(C)(C)CC(=O)NCC1CC[NH+](CC(=C)Cl)CC1 ZINC001223311619 816602753 /nfs/dbraw/zinc/60/27/53/816602753.db2.gz LQWAATBOJUGUJS-UHFFFAOYSA-N 1 1 298.858 3.169 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2CC[N@H+](CC(C)C)[C@H]2C1 ZINC001223344347 816610606 /nfs/dbraw/zinc/61/06/06/816610606.db2.gz JJUQRBZLJCZYBG-ZACQAIPSSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]2CC[N@@H+](CC3CCC3)[C@H]2C1 ZINC001223405984 816624176 /nfs/dbraw/zinc/62/41/76/816624176.db2.gz JPGDPWPZKGBVPV-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](O/C(=N\O)c1ccc(Cl)cc1)C2 ZINC001223596236 816655088 /nfs/dbraw/zinc/65/50/88/816655088.db2.gz KVKMKFINQBLDKY-STXJCGAQSA-N 1 1 294.782 3.118 20 30 CGEDMO C=CCOc1ccccc1CO[C@H]1CC[N@H+](C(C)C)C1 ZINC001223786421 816684188 /nfs/dbraw/zinc/68/41/88/816684188.db2.gz BWYFRXYEOOHGNC-INIZCTEOSA-N 1 1 275.392 3.251 20 30 CGEDMO C=C[C@@H](C)[C@@H](C)C(=O)NCC1CC[NH+](CC(=C)Cl)CC1 ZINC001224165974 816745015 /nfs/dbraw/zinc/74/50/15/816745015.db2.gz WIYQFCSAYBRSCY-TZMCWYRMSA-N 1 1 298.858 3.025 20 30 CGEDMO N#CC1(CO[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)CC1 ZINC001224948540 816915661 /nfs/dbraw/zinc/91/56/61/816915661.db2.gz PXZDIXVBFXYGBD-OAHLLOKOSA-N 1 1 288.366 3.110 20 30 CGEDMO C[C@@H](CC(C)(C)S)Oc1cccnc1C[NH+](C)C ZINC001225281447 816993162 /nfs/dbraw/zinc/99/31/62/816993162.db2.gz DDBGNMGSZCFDMK-NSHDSACASA-N 1 1 268.426 3.009 20 30 CGEDMO CC[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2Cl)C1 ZINC001225726776 817158598 /nfs/dbraw/zinc/15/85/98/817158598.db2.gz HJUQUGIHTGVVPU-LBPRGKRZSA-N 1 1 264.756 3.075 20 30 CGEDMO CC[N@H+]1CCC[C@H](Oc2c(C)cc(C#N)cc2C)C1 ZINC001226526207 817386946 /nfs/dbraw/zinc/38/69/46/817386946.db2.gz IZETYUBILOEWIP-HNNXBMFYSA-N 1 1 258.365 3.038 20 30 CGEDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ccc(Cl)cc1C#N ZINC001227207862 817592182 /nfs/dbraw/zinc/59/21/82/817592182.db2.gz DTHGSDMOTYTXEN-DRXBFXEBSA-N 1 1 290.794 3.321 20 30 CGEDMO N#Cc1ccc(Cl)cc1OC1CC[NH+](CCF)CC1 ZINC001228085337 817806522 /nfs/dbraw/zinc/80/65/22/817806522.db2.gz YOQHQSQWOLSTBW-UHFFFAOYSA-N 1 1 282.746 3.024 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CCCCCC1 ZINC001231116066 818034628 /nfs/dbraw/zinc/03/46/28/818034628.db2.gz YOCVXGWQGNNEMP-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)/C=C/C(C)(C)C ZINC001231280112 818068852 /nfs/dbraw/zinc/06/88/52/818068852.db2.gz AJUZJGOPWMUSAH-VSGCLNPGSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCCNC(=O)c1ccc(C)s1 ZINC001231300880 818072441 /nfs/dbraw/zinc/07/24/41/818072441.db2.gz HLAAERONAMTJHI-UHFFFAOYSA-N 1 1 280.437 3.074 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)c1cccs1 ZINC001231403056 818092784 /nfs/dbraw/zinc/09/27/84/818092784.db2.gz WMXBYFXOJLQLHI-CYBMUJFWSA-N 1 1 280.437 3.155 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCC(=O)[C@@H](C)CC2)c1 ZINC001231620960 818137861 /nfs/dbraw/zinc/13/78/61/818137861.db2.gz JVTKAATWOVUZSD-AWEZNQCLSA-N 1 1 273.376 3.052 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCC(=O)[C@@H](C)CC2)c1 ZINC001231620960 818137866 /nfs/dbraw/zinc/13/78/66/818137866.db2.gz JVTKAATWOVUZSD-AWEZNQCLSA-N 1 1 273.376 3.052 20 30 CGEDMO C=CCOc1cccc(CN2CC[N@H+](CC)CC2(C)C)c1 ZINC001231624152 818139416 /nfs/dbraw/zinc/13/94/16/818139416.db2.gz BRWUCYNEYXXMCN-UHFFFAOYSA-N 1 1 288.435 3.168 20 30 CGEDMO C=CCOc1cccc(C[N@H+](CCC)CCC#N)c1 ZINC001231623790 818139522 /nfs/dbraw/zinc/13/95/22/818139522.db2.gz WOSIEPILLBTHFP-UHFFFAOYSA-N 1 1 258.365 3.377 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](CCC)CCC#N)c1 ZINC001231623790 818139527 /nfs/dbraw/zinc/13/95/27/818139527.db2.gz WOSIEPILLBTHFP-UHFFFAOYSA-N 1 1 258.365 3.377 20 30 CGEDMO COc1cc(C)c(C[NH+]2CC(CC#N)C2)cc1C(C)C ZINC001231624941 818140898 /nfs/dbraw/zinc/14/08/98/818140898.db2.gz NHCYASJQQGVKDX-UHFFFAOYSA-N 1 1 272.392 3.473 20 30 CGEDMO C#Cc1cccc(C[N@@H+](CC)Cc2cccnc2)c1 ZINC001231658895 818150943 /nfs/dbraw/zinc/15/09/43/818150943.db2.gz ASKNDBLKXPSVSK-UHFFFAOYSA-N 1 1 250.345 3.085 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@H](F)CC2)cc1 ZINC001231817321 818184878 /nfs/dbraw/zinc/18/48/78/818184878.db2.gz ZECNCAQTRMJNKF-MRXNPFEDSA-N 1 1 289.398 3.360 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H]3CCCO[C@H]3C2)cc1Cl ZINC001232111680 818257974 /nfs/dbraw/zinc/25/79/74/818257974.db2.gz GAVMGJQSOKVBKE-CJNGLKHVSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)cc1Cl ZINC001232111680 818257982 /nfs/dbraw/zinc/25/79/82/818257982.db2.gz GAVMGJQSOKVBKE-CJNGLKHVSA-N 1 1 290.794 3.213 20 30 CGEDMO CC(C)[N@@H+](C)[C@H]1CCN(Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232118130 818260401 /nfs/dbraw/zinc/26/04/01/818260401.db2.gz JFCSEFODLWUNFX-HNNXBMFYSA-N 1 1 291.826 3.126 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2ccnc3c(F)cccc23)CC1 ZINC001232211311 818278222 /nfs/dbraw/zinc/27/82/22/818278222.db2.gz BXMGAGNRIBCOCY-ZDUSSCGKSA-N 1 1 283.350 3.500 20 30 CGEDMO C#CC[N@H+](C)Cc1cc(Br)c(CC)s1 ZINC001232288561 818304193 /nfs/dbraw/zinc/30/41/93/818304193.db2.gz FBZBOOWCQXPJHA-UHFFFAOYSA-N 1 1 272.211 3.138 20 30 CGEDMO N#Cc1ccnc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c1 ZINC001232478722 818364786 /nfs/dbraw/zinc/36/47/86/818364786.db2.gz KADHQPLZGFKGFX-HNNXBMFYSA-N 1 1 281.334 3.082 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)ccn1)[C@@H]1CCc2ccccc21 ZINC001232482279 818366981 /nfs/dbraw/zinc/36/69/81/818366981.db2.gz PKQASRFGZAFVNN-QGZVFWFLSA-N 1 1 263.344 3.073 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2cccc3c2CCCC3)C1 ZINC001232639214 818408148 /nfs/dbraw/zinc/40/81/48/818408148.db2.gz XEXBWEQOWTUIGZ-AWEZNQCLSA-N 1 1 254.377 3.301 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2cccc3c2CCCC3)C1 ZINC001232639214 818408152 /nfs/dbraw/zinc/40/81/52/818408152.db2.gz XEXBWEQOWTUIGZ-AWEZNQCLSA-N 1 1 254.377 3.301 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(Br)co1 ZINC001232857870 818458143 /nfs/dbraw/zinc/45/81/43/818458143.db2.gz WMUBEAAAOQCDPM-UHFFFAOYSA-N 1 1 258.159 3.440 20 30 CGEDMO Cc1cc(O)cc(C[N@@H+]2CCc3ccc(C#N)cc3C2)c1 ZINC001232878022 818461099 /nfs/dbraw/zinc/46/10/99/818461099.db2.gz GLOROWSRVZHGCX-UHFFFAOYSA-N 1 1 278.355 3.131 20 30 CGEDMO Cc1cc(O)cc(C[N@H+]2CCc3ccc(C#N)cc3C2)c1 ZINC001232878022 818461104 /nfs/dbraw/zinc/46/11/04/818461104.db2.gz GLOROWSRVZHGCX-UHFFFAOYSA-N 1 1 278.355 3.131 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001232889520 818465823 /nfs/dbraw/zinc/46/58/23/818465823.db2.gz JHWDHSNSNGIXNG-JSGCOSHPSA-N 1 1 258.340 3.319 20 30 CGEDMO COc1ccccc1[C@@H](C)[N@H+](C)Cc1cccc(C#N)n1 ZINC001232925739 818475726 /nfs/dbraw/zinc/47/57/26/818475726.db2.gz MTVPVCIMXZZFPA-CYBMUJFWSA-N 1 1 281.359 3.155 20 30 CGEDMO COc1ccccc1[C@@H](C)[N@@H+](C)Cc1cccc(C#N)n1 ZINC001232925739 818475730 /nfs/dbraw/zinc/47/57/30/818475730.db2.gz MTVPVCIMXZZFPA-CYBMUJFWSA-N 1 1 281.359 3.155 20 30 CGEDMO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C)cc1C#N ZINC001232968964 818486015 /nfs/dbraw/zinc/48/60/15/818486015.db2.gz UGIAQMNCGDVSLP-SJPCQFCGSA-N 1 1 270.376 3.009 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1sccc1C(=O)OCC ZINC001233021701 818502999 /nfs/dbraw/zinc/50/29/99/818502999.db2.gz QRKMGOQISLQNKB-UHFFFAOYSA-N 1 1 267.394 3.323 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1sccc1C(=O)OCC ZINC001233021701 818503003 /nfs/dbraw/zinc/50/30/03/818503003.db2.gz QRKMGOQISLQNKB-UHFFFAOYSA-N 1 1 267.394 3.323 20 30 CGEDMO C[N@H+](CCc1cccc(Cl)c1)Cc1[nH]ccc1C#N ZINC001233046479 818508266 /nfs/dbraw/zinc/50/82/66/818508266.db2.gz ASCODDJHVSBUIT-UHFFFAOYSA-N 1 1 273.767 3.214 20 30 CGEDMO C[N@@H+](CCc1cccc(Cl)c1)Cc1[nH]ccc1C#N ZINC001233046479 818508272 /nfs/dbraw/zinc/50/82/72/818508272.db2.gz ASCODDJHVSBUIT-UHFFFAOYSA-N 1 1 273.767 3.214 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+](C(C)C)C1CCN(C)CC1 ZINC001233083640 818521316 /nfs/dbraw/zinc/52/13/16/818521316.db2.gz UDLKDXNZCBKEBK-UHFFFAOYSA-N 1 1 285.435 3.171 20 30 CGEDMO COc1ccccc1[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1[O-] ZINC001233387178 818607476 /nfs/dbraw/zinc/60/74/76/818607476.db2.gz YJXBQAXGAOGNLJ-CYBMUJFWSA-N 1 1 296.370 3.465 20 30 CGEDMO COc1ccccc1[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1O ZINC001233387178 818607477 /nfs/dbraw/zinc/60/74/77/818607477.db2.gz YJXBQAXGAOGNLJ-CYBMUJFWSA-N 1 1 296.370 3.465 20 30 CGEDMO COc1ccccc1[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1O ZINC001233387178 818607481 /nfs/dbraw/zinc/60/74/81/818607481.db2.gz YJXBQAXGAOGNLJ-CYBMUJFWSA-N 1 1 296.370 3.465 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233418707 818615579 /nfs/dbraw/zinc/61/55/79/818615579.db2.gz RTHSSTPSCMRDPK-NSHDSACASA-N 1 1 283.293 3.256 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2O)C1 ZINC001233418707 818615583 /nfs/dbraw/zinc/61/55/83/818615583.db2.gz RTHSSTPSCMRDPK-NSHDSACASA-N 1 1 283.293 3.256 20 30 CGEDMO C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1CCCC(C)(C)C ZINC001233947430 818737540 /nfs/dbraw/zinc/73/75/40/818737540.db2.gz MBBAYHSHWNISII-INIZCTEOSA-N 1 1 292.467 3.149 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2c[nH]c(=O)c3ccccc23)C1 ZINC001233999247 818750863 /nfs/dbraw/zinc/75/08/63/818750863.db2.gz LKIIUTBVYIEARB-ZDUSSCGKSA-N 1 1 281.359 3.066 20 30 CGEDMO C=CCC(CC=C)C(=O)N(C)C[C@H]1CC[N@@H+]1CCC(C)C ZINC001234509809 818869850 /nfs/dbraw/zinc/86/98/50/818869850.db2.gz QBNBYZJHUJTSIT-QGZVFWFLSA-N 1 1 292.467 3.334 20 30 CGEDMO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)CCCC[C@@H](C)CC ZINC001234547526 818880902 /nfs/dbraw/zinc/88/09/02/818880902.db2.gz UACBDSJHKLFROZ-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCC[C@@H](C)CC ZINC001234547526 818880909 /nfs/dbraw/zinc/88/09/09/818880909.db2.gz UACBDSJHKLFROZ-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)CCCC[C@@H](C)CC ZINC001234547529 818881397 /nfs/dbraw/zinc/88/13/97/818881397.db2.gz UACBDSJHKLFROZ-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCCC[C@@H](C)CC ZINC001234547529 818881399 /nfs/dbraw/zinc/88/13/99/818881399.db2.gz UACBDSJHKLFROZ-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)CCC[C@H](C)CCC ZINC001234546558 818881528 /nfs/dbraw/zinc/88/15/28/818881528.db2.gz LXYNJOODIPGHKB-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC[C@H](C)CCC ZINC001234546558 818881530 /nfs/dbraw/zinc/88/15/30/818881530.db2.gz LXYNJOODIPGHKB-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCCC[C@H](C)CC ZINC001234547910 818881583 /nfs/dbraw/zinc/88/15/83/818881583.db2.gz VZXLXCLYHUGASX-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO Cc1nnc(-c2ccc(C[N@H+]3CCC[C@H](C#N)CC3)cc2)o1 ZINC001235059912 818991813 /nfs/dbraw/zinc/99/18/13/818991813.db2.gz KPOJDTMZLIGFOV-AWEZNQCLSA-N 1 1 296.374 3.171 20 30 CGEDMO CCCCCCCCC[N@H+]1CCC[C@@]2(CNCCO2)C1 ZINC001235115199 819008980 /nfs/dbraw/zinc/00/89/80/819008980.db2.gz PDFGNEYNEOPRBK-QGZVFWFLSA-N 1 1 282.472 3.191 20 30 CGEDMO C=CCCC(=O)NCCC[N@H+](C)CC/C=C/CCC ZINC001235451998 819102378 /nfs/dbraw/zinc/10/23/78/819102378.db2.gz SWXMCZWQSIBVOP-CMDGGOBGSA-N 1 1 266.429 3.137 20 30 CGEDMO CCOC[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1CC#N)C2 ZINC001235514844 819113249 /nfs/dbraw/zinc/11/32/49/819113249.db2.gz RVOWICMKACJNCM-MOPGFXCFSA-N 1 1 298.430 3.391 20 30 CGEDMO COC(C)(C)[C@H]1CCC[N@H+]1Cc1c(F)cc(C#N)cc1F ZINC001235658462 819130249 /nfs/dbraw/zinc/13/02/49/819130249.db2.gz NUPKVHLFKSZUHY-OAHLLOKOSA-N 1 1 294.345 3.226 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+](CC)C2CC[NH2+]CC2)CC1 ZINC001235758365 819162147 /nfs/dbraw/zinc/16/21/47/819162147.db2.gz DVKZZOAANPYWMX-MRXNPFEDSA-N 1 1 262.441 3.363 20 30 CGEDMO CC1(C#N)CC[NH+](Cc2cc(F)cc3c2OCCC3)CC1 ZINC001236628709 819554696 /nfs/dbraw/zinc/55/46/96/819554696.db2.gz CTUSMVBWMMIMTD-UHFFFAOYSA-N 1 1 288.366 3.276 20 30 CGEDMO CCc1ccc(C[N@H+]2CCC[C@H](C#N)CC2)c(O)c1 ZINC001236793958 819597748 /nfs/dbraw/zinc/59/77/48/819597748.db2.gz HXUGMAZMGFYOBL-AWEZNQCLSA-N 1 1 258.365 3.080 20 30 CGEDMO CC(C)[N@@H+](C)Cc1ccc(C#N)c(Br)c1 ZINC001236855032 819623553 /nfs/dbraw/zinc/62/35/53/819623553.db2.gz JXKDQMDDOUSVGH-UHFFFAOYSA-N 1 1 267.170 3.161 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCNC3=CCCC[C@@H]32)cc1 ZINC001237217630 819698909 /nfs/dbraw/zinc/69/89/09/819698909.db2.gz BMSLJHPXYFUCLI-SFHVURJKSA-N 1 1 284.403 3.093 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCNC3=CCCC[C@@H]32)cc1 ZINC001237217630 819698913 /nfs/dbraw/zinc/69/89/13/819698913.db2.gz BMSLJHPXYFUCLI-SFHVURJKSA-N 1 1 284.403 3.093 20 30 CGEDMO CCc1cccc(C)c1C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001237322256 819724906 /nfs/dbraw/zinc/72/49/06/819724906.db2.gz BNCPTPRTZWSFJG-MRXNPFEDSA-N 1 1 287.428 3.332 20 30 CGEDMO CCc1cccc(C)c1C[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001237322256 819724908 /nfs/dbraw/zinc/72/49/08/819724908.db2.gz BNCPTPRTZWSFJG-MRXNPFEDSA-N 1 1 287.428 3.332 20 30 CGEDMO CCc1cccc(C)c1C[N@H+]1CCC2SC(=O)C=C2C1 ZINC001237322256 819724911 /nfs/dbraw/zinc/72/49/11/819724911.db2.gz BNCPTPRTZWSFJG-MRXNPFEDSA-N 1 1 287.428 3.332 20 30 CGEDMO Cc1cc(F)cc(C)c1C[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001237323900 819725570 /nfs/dbraw/zinc/72/55/70/819725570.db2.gz RBAULVMPHFLXPB-HNNXBMFYSA-N 1 1 291.391 3.217 20 30 CGEDMO Cc1cc(F)cc(C)c1C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001237323900 819725577 /nfs/dbraw/zinc/72/55/77/819725577.db2.gz RBAULVMPHFLXPB-HNNXBMFYSA-N 1 1 291.391 3.217 20 30 CGEDMO C=CC[N@H+](Cc1ccc(C(=O)OC)nc1)C1CCCCC1 ZINC001237440725 819750060 /nfs/dbraw/zinc/75/00/60/819750060.db2.gz IQKPYBAFODYDJP-UHFFFAOYSA-N 1 1 288.391 3.189 20 30 CGEDMO CC[N@H+](Cc1ccnc(C#N)c1)Cc1ccccc1F ZINC001237462012 819757838 /nfs/dbraw/zinc/75/78/38/819757838.db2.gz DJSUIWWTTCKCPW-UHFFFAOYSA-N 1 1 269.323 3.114 20 30 CGEDMO CC[N@@H+](Cc1ccnc(C#N)c1)Cc1ccccc1F ZINC001237462012 819757843 /nfs/dbraw/zinc/75/78/43/819757843.db2.gz DJSUIWWTTCKCPW-UHFFFAOYSA-N 1 1 269.323 3.114 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cn(C)c3ccc(C#N)cc23)C2(CC2)C1 ZINC001237472318 819759604 /nfs/dbraw/zinc/75/96/04/819759604.db2.gz GGVIJVXSZRZMID-ZDUSSCGKSA-N 1 1 279.387 3.424 20 30 CGEDMO N#Cc1cc(C[N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)ccn1 ZINC001237469154 819759640 /nfs/dbraw/zinc/75/96/40/819759640.db2.gz QLTNDWOAQDDUDD-GASCZTMLSA-N 1 1 275.355 3.040 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@@H](CC#N)C2)c2cc(C#N)ccc21 ZINC001237469831 819759739 /nfs/dbraw/zinc/75/97/39/819759739.db2.gz CNPBAPDBTUQOSM-AWEZNQCLSA-N 1 1 292.386 3.176 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)c(F)cc1F ZINC001237527979 819772316 /nfs/dbraw/zinc/77/23/16/819772316.db2.gz NIBKNHMGWVFNGG-VXGBXAGGSA-N 1 1 276.330 3.458 20 30 CGEDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](C#N)CC2)c1O ZINC001237687156 819806594 /nfs/dbraw/zinc/80/65/94/819806594.db2.gz RTJQJPLHZFCNAX-LBPRGKRZSA-N 1 1 278.783 3.480 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c1 ZINC001237757177 819838452 /nfs/dbraw/zinc/83/84/52/819838452.db2.gz NXHMOVKGANSAEJ-FPMFFAJLSA-N 1 1 264.731 3.144 20 30 CGEDMO COc1ccoc1C[NH+]1CCC(C#N)(c2ccccc2)CC1 ZINC001237863396 819859253 /nfs/dbraw/zinc/85/92/53/819859253.db2.gz MJALMGZHJFQGRU-UHFFFAOYSA-N 1 1 296.370 3.346 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(F)cc(OCC)c2)C1 ZINC001237919834 819885377 /nfs/dbraw/zinc/88/53/77/819885377.db2.gz KPCBVIOXLQBBBT-CYBMUJFWSA-N 1 1 261.340 3.070 20 30 CGEDMO C#CC[NH+](CC#C)Cc1ccc(COc2ccccc2)cc1 ZINC001237921621 819886279 /nfs/dbraw/zinc/88/62/79/819886279.db2.gz VKPIAGZYLKWQPT-UHFFFAOYSA-N 1 1 289.378 3.334 20 30 CGEDMO COc1ncc(C2CC2)cc1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001238028661 819917478 /nfs/dbraw/zinc/91/74/78/819917478.db2.gz OWBVIUUWRNWDSE-IBEGIYRJSA-N 1 1 297.402 3.234 20 30 CGEDMO COc1ncc(C2CC2)cc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001238028661 819917481 /nfs/dbraw/zinc/91/74/81/819917481.db2.gz OWBVIUUWRNWDSE-IBEGIYRJSA-N 1 1 297.402 3.234 20 30 CGEDMO C#CC[NH+](CC#C)Cc1cc(Cl)c(Cl)cc1C ZINC001238269199 819970139 /nfs/dbraw/zinc/97/01/39/819970139.db2.gz VERFXDWUZHATTM-UHFFFAOYSA-N 1 1 266.171 3.370 20 30 CGEDMO C=CC[NH+]1CCN(Cc2cc(C)c(Cl)cc2F)CC1 ZINC001238302033 819971282 /nfs/dbraw/zinc/97/12/82/819971282.db2.gz BCBOPSFBEWPSOE-UHFFFAOYSA-N 1 1 282.790 3.091 20 30 CGEDMO Cc1cc(C[NH+]2CCC(C#N)CC2)cnc1C1CC1 ZINC001238617069 820061493 /nfs/dbraw/zinc/06/14/93/820061493.db2.gz SLAMNVONUQFABD-UHFFFAOYSA-N 1 1 255.365 3.003 20 30 CGEDMO CCc1cc(C[N@H+]2CC[C@@]3(C2)CCCOC3)ccc1C#N ZINC001238768094 820112348 /nfs/dbraw/zinc/11/23/48/820112348.db2.gz FNTHZPYXRDUFNJ-GOSISDBHSA-N 1 1 284.403 3.123 20 30 CGEDMO CCc1cc(CN2CC[N@@H+](C)CC23CCCC3)ccc1C#N ZINC001238773397 820114603 /nfs/dbraw/zinc/11/46/03/820114603.db2.gz XYRGXYUVOQXZCD-UHFFFAOYSA-N 1 1 297.446 3.181 20 30 CGEDMO C[N@@H+](Cc1ccc(-c2ccccc2OCC#N)nc1)C1CC1 ZINC001243586136 823456641 /nfs/dbraw/zinc/45/66/41/823456641.db2.gz ZDRIJFPLMFKXBE-UHFFFAOYSA-N 1 1 293.370 3.245 20 30 CGEDMO N#Cc1ncc(F)cc1C1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001240388957 821012374 /nfs/dbraw/zinc/01/23/74/821012374.db2.gz YJCQTRYFLUJNID-UHFFFAOYSA-N 1 1 293.345 3.382 20 30 CGEDMO C=C(C)c1ncnc2c1CC[N@H+](Cc1ccccc1)C2 ZINC001240832123 821360164 /nfs/dbraw/zinc/36/01/64/821360164.db2.gz CMERXJSHHVOSPK-UHFFFAOYSA-N 1 1 265.360 3.068 20 30 CGEDMO C=C(C)c1ncnc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC001240832123 821360172 /nfs/dbraw/zinc/36/01/72/821360172.db2.gz CMERXJSHHVOSPK-UHFFFAOYSA-N 1 1 265.360 3.068 20 30 CGEDMO C[N@H+]1CCCC[C@H]1c1ccc(-c2ccnc(C#N)c2)nc1 ZINC001241188641 821626024 /nfs/dbraw/zinc/62/60/24/821626024.db2.gz UCAYWGGBXZCRBJ-KRWDZBQOSA-N 1 1 278.359 3.172 20 30 CGEDMO Cc1cnc(C2=CCC[N@H+](C)C2)c(C#C[Si](C)(C)C)c1 ZINC001241566768 821952470 /nfs/dbraw/zinc/95/24/70/821952470.db2.gz CUGMHRVETHCHSE-UHFFFAOYSA-N 1 1 284.479 3.338 20 30 CGEDMO C[N@H+]1CCc2c(F)cc(-c3cc(F)cc(C#N)c3)cc2C1 ZINC001241659962 822036096 /nfs/dbraw/zinc/03/60/96/822036096.db2.gz DBPLLQSNHNUHSZ-UHFFFAOYSA-N 1 1 284.309 3.491 20 30 CGEDMO N#CCc1ccc(-c2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC001241816489 822160056 /nfs/dbraw/zinc/16/00/56/822160056.db2.gz HHPOYKYEWSBXKC-UHFFFAOYSA-N 1 1 292.382 3.252 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](C[C@@H](C)c2ccc(F)cc2)C1 ZINC001338649739 936330506 /nfs/dbraw/zinc/33/05/06/936330506.db2.gz RXOMZOGNBHLGKI-CZUORRHYSA-N 1 1 263.356 3.206 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2cscc2Cl)C1 ZINC001320091621 933996215 /nfs/dbraw/zinc/99/62/15/933996215.db2.gz JLOWNXXQNAFPNG-LLVKDONJSA-N 1 1 257.786 3.178 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cscc2Cl)C1 ZINC001320091621 933996223 /nfs/dbraw/zinc/99/62/23/933996223.db2.gz JLOWNXXQNAFPNG-LLVKDONJSA-N 1 1 257.786 3.178 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)[C@H](C)CCC)C(C)(C)C1 ZINC001330184171 935274872 /nfs/dbraw/zinc/27/48/72/935274872.db2.gz LKOWJSAUJCCLLU-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)C(C)(CC)CC ZINC001327290888 935052330 /nfs/dbraw/zinc/05/23/30/935052330.db2.gz JHDUYQVWUUXLEI-UHFFFAOYSA-N 1 1 268.445 3.169 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C(=C)C)C1 ZINC001479908889 936921103 /nfs/dbraw/zinc/92/11/03/936921103.db2.gz UIVIBEFGTNCVPJ-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001479962270 936948605 /nfs/dbraw/zinc/94/86/05/936948605.db2.gz SCZQBNQDXIZPDS-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(-c3cnn(C)c3)cc2)C1 ZINC001351626853 937020934 /nfs/dbraw/zinc/02/09/34/937020934.db2.gz CCDCYMPEHIUQLA-HNNXBMFYSA-N 1 1 281.403 3.485 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCNC(=O)c1cc(Cl)cs1 ZINC001480921290 926795092 /nfs/dbraw/zinc/79/50/92/926795092.db2.gz LBKSLKZWZSSKOZ-UHFFFAOYSA-N 1 1 286.828 3.029 20 30 CGEDMO C=CCC[N@@H+](C)CCNC(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC001480945554 926832188 /nfs/dbraw/zinc/83/21/88/926832188.db2.gz ZVAIKVXRNXPYDW-UHFFFAOYSA-N 1 1 299.418 3.022 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H]1CNC(=O)C1CCC1 ZINC001481022817 926860368 /nfs/dbraw/zinc/86/03/68/926860368.db2.gz UDLVKUFFKZRNJL-MRXNPFEDSA-N 1 1 280.456 3.338 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H](CNC(=O)C=C2CCCCC2)C1 ZINC001481082518 926881527 /nfs/dbraw/zinc/88/15/27/926881527.db2.gz WJLJHLBMSQFFCE-KRWDZBQOSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@H](CNC(=O)C=C2CCC2)C1 ZINC001481086884 926882735 /nfs/dbraw/zinc/88/27/35/926882735.db2.gz RGOSXXCMLCRRCO-QGZVFWFLSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001481093829 926883369 /nfs/dbraw/zinc/88/33/69/926883369.db2.gz KGJKIAMKABPEKZ-HNNXBMFYSA-N 1 1 294.483 3.463 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](CNC(=O)C2CC=CC2)C1 ZINC001481088899 926883949 /nfs/dbraw/zinc/88/39/49/926883949.db2.gz JIBMXDCDZCEFAS-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001481109920 926888641 /nfs/dbraw/zinc/88/86/41/926888641.db2.gz WEWMGSIWLWEQNL-YJBOKZPZSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)C[C@@H]1CC[C@H]2C[C@H]21)C(C)C ZINC001481350716 926965719 /nfs/dbraw/zinc/96/57/19/926965719.db2.gz PVGRQWVIOJZKDA-YESZJQIVSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ccoc2C)C1 ZINC001481388873 926973886 /nfs/dbraw/zinc/97/38/86/926973886.db2.gz GLGUUYUNLOMVDE-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CC=CCC2)C1 ZINC001481390149 926975912 /nfs/dbraw/zinc/97/59/12/926975912.db2.gz LXPDSXITVCRCBW-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC001481474635 926996359 /nfs/dbraw/zinc/99/63/59/926996359.db2.gz MKKDFNNTKWWPEX-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@](C)(CC)CCC)C1 ZINC001481503412 927006908 /nfs/dbraw/zinc/00/69/08/927006908.db2.gz QBSXSCGBPKIPHA-FUHWJXTLSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(C)C[N@@H+](C)CC1CCN(C(=O)CC2CCCC2)CC1 ZINC001481508479 927007364 /nfs/dbraw/zinc/00/73/64/927007364.db2.gz DETGTUMIKXULSE-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C#CCCCC(=O)N1CCC(C[N@H+](C)CCCCC)CC1 ZINC001481512514 927009259 /nfs/dbraw/zinc/00/92/59/927009259.db2.gz LBOUTQQQBNYRNJ-UHFFFAOYSA-N 1 1 292.467 3.151 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)/C=C\C(C)(C)C)C1 ZINC001481533031 927017181 /nfs/dbraw/zinc/01/71/81/927017181.db2.gz VBGRLNAXKKYQPY-WWRUEGTHSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC(C)(C)CC(=O)NC1C[NH+]([C@@H]2CCc3ccccc32)C1 ZINC001481560238 927027759 /nfs/dbraw/zinc/02/77/59/927027759.db2.gz CTMOIJPFQHRTES-QGZVFWFLSA-N 1 1 298.430 3.077 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCCC1 ZINC001481664447 927050385 /nfs/dbraw/zinc/05/03/85/927050385.db2.gz ALBAWCIVJMVYAO-IRXDYDNUSA-N 1 1 292.467 3.432 20 30 CGEDMO CCCCCCCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC ZINC001481680540 927054315 /nfs/dbraw/zinc/05/43/15/927054315.db2.gz DRPAEYLUCGZLEC-GJZGRUSLSA-N 1 1 266.429 3.042 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC(C)C ZINC001481677915 927055325 /nfs/dbraw/zinc/05/53/25/927055325.db2.gz DLXYPOGQHACLBE-ULQDDVLXSA-N 1 1 292.467 3.453 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001481686540 927057264 /nfs/dbraw/zinc/05/72/64/927057264.db2.gz GYUNOOOFWHUNPO-KBPBESRZSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C[C@H](CC(=O)N[C@H]1CC[N@H+](CC(=C)C)C1)c1ccccc1 ZINC001481696430 927065536 /nfs/dbraw/zinc/06/55/36/927065536.db2.gz KJWIYVCZZIOEMC-AEFFLSMTSA-N 1 1 298.430 3.113 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](CCCCCF)C2)CC1 ZINC001481705176 927068529 /nfs/dbraw/zinc/06/85/29/927068529.db2.gz DXGKSMQSMXSMNE-MRXNPFEDSA-N 1 1 296.430 3.063 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)CCC2CCCCC2)C1 ZINC001481750398 927077645 /nfs/dbraw/zinc/07/76/45/927077645.db2.gz LUIZMLNFYSMRMG-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)CCCCC)C1 ZINC001481758373 927080303 /nfs/dbraw/zinc/08/03/03/927080303.db2.gz VHTWSLFJYRFDRR-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)C1CC(C(C)(C)C)C1 ZINC001498464455 927145968 /nfs/dbraw/zinc/14/59/68/927145968.db2.gz IFFGXPUPLYGHME-NFOMZHRRSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC001502134696 927248553 /nfs/dbraw/zinc/24/85/53/927248553.db2.gz ACPYJDHJHXJEJA-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)C(C)(C)C)CC1 ZINC001502126202 927248595 /nfs/dbraw/zinc/24/85/95/927248595.db2.gz SJNXRLKVNDNCBY-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)c1cc(C)cc(Cl)c1 ZINC001482613536 927322444 /nfs/dbraw/zinc/32/24/44/927322444.db2.gz IVSCWBJZTBNUQA-UHFFFAOYSA-N 1 1 294.826 3.228 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)C(C)(C)C(=C)C ZINC001482617388 927325329 /nfs/dbraw/zinc/32/53/29/927325329.db2.gz DHWNRNNQXIOYFL-OAHLLOKOSA-N 1 1 280.456 3.334 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)[C@@H](CCC)C(C)C ZINC001482631957 927333578 /nfs/dbraw/zinc/33/35/78/927333578.db2.gz FCZUOGFHOQGBMZ-HNNXBMFYSA-N 1 1 268.445 3.025 20 30 CGEDMO C#CCCCCC(=O)N[C@@H]1CCC[N@H+](CCCCC)[C@H]1C ZINC001507372236 927503210 /nfs/dbraw/zinc/50/32/10/927503210.db2.gz JMADAAJFNAPTRK-DLBZAZTESA-N 1 1 292.467 3.339 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)C1(CC=C)CCC1 ZINC001483676331 927566386 /nfs/dbraw/zinc/56/63/86/927566386.db2.gz BUAWTFUEMVZXRF-JKSUJKDBSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C(CC)CC ZINC001483810518 927627696 /nfs/dbraw/zinc/62/76/96/927627696.db2.gz XTVXWNSUUMUNCZ-UAGQMJEPSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)C ZINC001483807504 927628446 /nfs/dbraw/zinc/62/84/46/927628446.db2.gz FLQZYBYWOAOMID-XHSDSOJGSA-N 1 1 278.440 3.062 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@]2(CCN(C(=O)C3CC3)C2)C1 ZINC001483828743 927631370 /nfs/dbraw/zinc/63/13/70/927631370.db2.gz ZTKYUMRINPZNTN-MAUKXSAKSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)c2coc(C)c2)C1 ZINC001484040680 927666907 /nfs/dbraw/zinc/66/69/07/927666907.db2.gz APWXRHKCYQNRQQ-SUMWQHHRSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)CCC(=O)N[C@]1(C)CC[N@@H+](Cc2ccsc2)C1 ZINC001484047431 927667397 /nfs/dbraw/zinc/66/73/97/927667397.db2.gz BOVWSCQMRCPNTB-MRXNPFEDSA-N 1 1 292.448 3.185 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)C2(F)CCCC2)C1 ZINC001484050620 927667552 /nfs/dbraw/zinc/66/75/52/927667552.db2.gz IEUDZQCIOSLACT-GOEBONIOSA-N 1 1 296.430 3.204 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)C2(F)CCCCC2)C1 ZINC001484065628 927668571 /nfs/dbraw/zinc/66/85/71/927668571.db2.gz XFAOSPOVCOPJFC-MRXNPFEDSA-N 1 1 296.430 3.206 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCCC ZINC001484453352 927707470 /nfs/dbraw/zinc/70/74/70/927707470.db2.gz MVHZPVLUFUSVEC-HZPDHXFCSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCCC(C)C ZINC001484465748 927709100 /nfs/dbraw/zinc/70/91/00/927709100.db2.gz UOLWRSCXUBUVMI-IAGOWNOFSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001358074449 937186957 /nfs/dbraw/zinc/18/69/57/937186957.db2.gz PEQVAJYRFXBAGP-WBVHZDCISA-N 1 1 290.382 3.043 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)c1oc(C)cc1C ZINC001484737444 927747066 /nfs/dbraw/zinc/74/70/66/927747066.db2.gz GJJBXWQQNWOJGL-UHFFFAOYSA-N 1 1 298.814 3.043 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCN(C)C(=O)c1oc(C)cc1C ZINC001484737444 927747070 /nfs/dbraw/zinc/74/70/70/927747070.db2.gz GJJBXWQQNWOJGL-UHFFFAOYSA-N 1 1 298.814 3.043 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@H+](CCC(C)C)CC1(C)C ZINC001484929596 927772999 /nfs/dbraw/zinc/77/29/99/927772999.db2.gz DWNFDQUIJMLSFL-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](CC(C)C)[C@@H](C)C1 ZINC001484982093 927781339 /nfs/dbraw/zinc/78/13/39/927781339.db2.gz LINODRDYERBEQX-LSDHHAIUSA-N 1 1 280.456 3.214 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)C1CCCCCC1 ZINC001485052310 927794867 /nfs/dbraw/zinc/79/48/67/927794867.db2.gz ZDEIKBYKCPZCAC-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](CC)CC(C)C ZINC001485071921 927803131 /nfs/dbraw/zinc/80/31/31/927803131.db2.gz ABHHAFSKEPGTIJ-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO CC#CC[N@@H+](C)[C@H](C)CNC(=O)C1(CC(C)C)CCCC1 ZINC001485367478 927856946 /nfs/dbraw/zinc/85/69/46/927856946.db2.gz ZQSLBJWXGXHGQO-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO CC#CC[N@@H+](C)[C@@H](C)CNC(=O)c1ccccc1C1CCC1 ZINC001485379895 927859711 /nfs/dbraw/zinc/85/97/11/927859711.db2.gz VJSJEKGPFAYCTL-HNNXBMFYSA-N 1 1 298.430 3.028 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)C1CCC(C2CC2)CC1 ZINC001485378998 927860020 /nfs/dbraw/zinc/86/00/20/927860020.db2.gz BXYDBOQTFSPTJM-OOHWJJMZSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)CC1CC(C)(C)C1 ZINC001485483503 927871879 /nfs/dbraw/zinc/87/18/79/927871879.db2.gz ZMBRLVPCRUZBQM-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCC)C[C@H]2C1 ZINC001485655670 927894989 /nfs/dbraw/zinc/89/49/89/927894989.db2.gz WTRRGYJPWSKMEQ-ARFHVFGLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CCCC2(CN(C(=O)C3(C)CCC3)C2)C1 ZINC001485662141 927898045 /nfs/dbraw/zinc/89/80/45/927898045.db2.gz RODXCOCBCGUQPI-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)/C=C(/C)C3CC3)CCC[C@H]12 ZINC001486141760 927990925 /nfs/dbraw/zinc/99/09/25/927990925.db2.gz SFOSLZQNHXDDKX-YTPNCZQQSA-N 1 1 288.435 3.032 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)CSCCC)[C@H]1C ZINC001486170128 927993657 /nfs/dbraw/zinc/99/36/57/927993657.db2.gz GYCYSJLFTXXUBO-CABCVRRESA-N 1 1 298.496 3.065 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CCC[N@@H+](CC2CCC2)[C@H]1C ZINC001486176724 927996562 /nfs/dbraw/zinc/99/65/62/927996562.db2.gz LBFONMCHXMLPAH-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO CC#CC[N@H+](C)CCN(C(=O)[C@@H](C)CCCC)C(C)C ZINC001486367579 928008023 /nfs/dbraw/zinc/00/80/23/928008023.db2.gz IXNJCHUPPAVSJI-INIZCTEOSA-N 1 1 280.456 3.005 20 30 CGEDMO C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)C2(C)CCC2)CC1 ZINC001486438893 928022397 /nfs/dbraw/zinc/02/23/97/928022397.db2.gz CYVINFAAQZIZOF-CYBMUJFWSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)CC(C)(C)CC)C2)C1 ZINC001323859806 928083005 /nfs/dbraw/zinc/08/30/05/928083005.db2.gz YWDUSAGDYRZNOQ-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@H+](CC)CCNC(=O)[C@@H]1CCCC[C@H]1C ZINC001493012116 928086306 /nfs/dbraw/zinc/08/63/06/928086306.db2.gz NXLDUNUOYCNTRW-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC001325359428 928246585 /nfs/dbraw/zinc/24/65/85/928246585.db2.gz FFUIVPPQAGCMEG-UHFFFAOYSA-N 1 1 256.393 3.437 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)CCC2(C)CC2)C1 ZINC001494915909 928275646 /nfs/dbraw/zinc/27/56/46/928275646.db2.gz ATADUUUPQVMTDT-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)CC2CC(C)(C)C2)C1 ZINC001494912316 928277038 /nfs/dbraw/zinc/27/70/38/928277038.db2.gz ZNWJHSVHGBUKDR-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C1CC(C)(C(=O)N(C)C[C@@H]2CC[N@H+]2CC2CCCC2)C1 ZINC001488661286 928293198 /nfs/dbraw/zinc/29/31/98/928293198.db2.gz YROUBJRZHWVMIU-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)C2(C)CC2)[C@H]1C ZINC001489269001 928320074 /nfs/dbraw/zinc/32/00/74/928320074.db2.gz WKKGMWCPHXLTQV-CABCVRRESA-N 1 1 280.456 3.336 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC=C(C)C)[C@@H]1C ZINC001489293137 928323048 /nfs/dbraw/zinc/32/30/48/928323048.db2.gz KCXAESDFABXVAO-CABCVRRESA-N 1 1 278.440 3.134 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)CC2CCCC2)[C@H]1C ZINC001489294035 928323357 /nfs/dbraw/zinc/32/33/57/928323357.db2.gz RTDFNJCZMKLMIM-OIISXLGYSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCCC(=O)N1CCCC[C@H]1C[N@H+](C)CC[C@H](C)F ZINC001489340615 928329695 /nfs/dbraw/zinc/32/96/95/928329695.db2.gz ZHCKOXMQCSBYLT-HOTGVXAUSA-N 1 1 298.446 3.404 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@]1(C)CCC(C)=C(C)C1 ZINC001493161761 928334581 /nfs/dbraw/zinc/33/45/81/928334581.db2.gz NKMYXZDZPLSDRR-WMZOPIPTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+](C)CCCNC(=O)c1ccc(Cl)c(C)c1 ZINC001490245019 928336788 /nfs/dbraw/zinc/33/67/88/928336788.db2.gz FVHMURXCCSQPEX-UHFFFAOYSA-N 1 1 294.826 3.276 20 30 CGEDMO C=CCC[N@@H+](C)CCCNC(=O)c1cc(F)ccc1Cl ZINC001490251902 928337301 /nfs/dbraw/zinc/33/73/01/928337301.db2.gz BTQKMDBIJKPMPM-UHFFFAOYSA-N 1 1 298.789 3.107 20 30 CGEDMO CC#CC[N@@H+](CC)CCCNC(=O)C[C@H]1CCCC[C@@H]1C ZINC001490360885 928355846 /nfs/dbraw/zinc/35/58/46/928355846.db2.gz XDKQDMXRYGNFLQ-DLBZAZTESA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)C(C)=C1CCC1 ZINC001492950921 937244372 /nfs/dbraw/zinc/24/43/72/937244372.db2.gz HWFXQKYBOQJOQA-AWEZNQCLSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H](C[N@@H+](C)CC=C(C)C)C1 ZINC001490768514 928387650 /nfs/dbraw/zinc/38/76/50/928387650.db2.gz PBXBMSFIZWFBSB-INIZCTEOSA-N 1 1 292.467 3.335 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](CC(C)(C)C)C2(C)C)C1=O ZINC001307835404 928506440 /nfs/dbraw/zinc/50/64/40/928506440.db2.gz OEBDHVYOJHKCBG-CABCVRRESA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)C(C)C)C1 ZINC001493208075 928679279 /nfs/dbraw/zinc/67/92/79/928679279.db2.gz VSSXLOJLPPFBOA-HNNXBMFYSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]2C[N@@H+](CCCC)CC[C@H]21 ZINC001490985469 928823893 /nfs/dbraw/zinc/82/38/93/928823893.db2.gz ZRFGPNDEDFSEQA-IAGOWNOFSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@H]1CCC[N@H+](C[C@H](F)CC)C1 ZINC001491117486 928834489 /nfs/dbraw/zinc/83/44/89/928834489.db2.gz IDQNVUIMNHNPNP-HUUCEWRRSA-N 1 1 298.446 3.165 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1(CCCC)CC1 ZINC001491223849 928843942 /nfs/dbraw/zinc/84/39/42/928843942.db2.gz FOAXDMOOBVDHDW-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@](C)(C=C)CC ZINC001491224489 928843998 /nfs/dbraw/zinc/84/39/98/928843998.db2.gz ITHMXGCBKRDKKP-DOTOQJQBSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)C)C1 ZINC001491297568 928854062 /nfs/dbraw/zinc/85/40/62/928854062.db2.gz SJZJKFWPHJQGTO-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CC2CCC2)C1 ZINC001491291436 928854101 /nfs/dbraw/zinc/85/41/01/928854101.db2.gz XVVRHXQCCFMGPZ-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C/C=C(\C)C=C)C1 ZINC001491292865 928855494 /nfs/dbraw/zinc/85/54/94/928855494.db2.gz NSZNYKMODDTCAW-DAPLNWGVSA-N 1 1 290.451 3.302 20 30 CGEDMO Cc1cc(F)c(C#N)c(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC001458461759 937463887 /nfs/dbraw/zinc/46/38/87/937463887.db2.gz LQYIEHDMUAMWNF-RDJZCZTQSA-N 1 1 287.382 3.435 20 30 CGEDMO Cc1c(Cl)cnc(NCC[N@H+]2CCC(C)(C)C2)c1C#N ZINC001458698505 937472270 /nfs/dbraw/zinc/47/22/70/937472270.db2.gz OVZLDOGGAPNQRK-UHFFFAOYSA-N 1 1 292.814 3.059 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OC)cc1)C1CCCCC1 ZINC001459391253 937486797 /nfs/dbraw/zinc/48/67/97/937486797.db2.gz KJMAQEJLKRDXTL-UHFFFAOYSA-N 1 1 257.377 3.463 20 30 CGEDMO C[C@@H](C#N)C[N@H+](C)C[C@H]1CCC2(CCCCCC2)O1 ZINC001459410090 937487374 /nfs/dbraw/zinc/48/73/74/937487374.db2.gz DUWVIZPHGWOHBF-LSDHHAIUSA-N 1 1 264.413 3.350 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C)C[C@H]1CCC2(CCCCCC2)O1 ZINC001459410090 937487375 /nfs/dbraw/zinc/48/73/75/937487375.db2.gz DUWVIZPHGWOHBF-LSDHHAIUSA-N 1 1 264.413 3.350 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@H](OC)C1CCC1 ZINC001459403024 937487824 /nfs/dbraw/zinc/48/78/24/937487824.db2.gz DVWFPCHBWVMAEJ-KRWDZBQOSA-N 1 1 275.367 3.076 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](CC[C@H]2CCC[C@H](C)C2)C1 ZINC001459815197 937501437 /nfs/dbraw/zinc/50/14/37/937501437.db2.gz BOQZVYQOBLUPDY-ARFHVFGLSA-N 1 1 251.414 3.480 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](CC[C@@H]2CCC[C@H](C)C2)C1 ZINC001459815201 937501756 /nfs/dbraw/zinc/50/17/56/937501756.db2.gz BOQZVYQOBLUPDY-HRCADAONSA-N 1 1 251.414 3.480 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(C2(C(=O)OC)CC2)cc1 ZINC001460043199 937513010 /nfs/dbraw/zinc/51/30/10/937513010.db2.gz OWMVDFATFNPANX-QGZVFWFLSA-N 1 1 299.414 3.432 20 30 CGEDMO C=CCCCC[N@@H+]1CCCC[C@@H]1COC(=O)N(C)CC ZINC001460059438 937514377 /nfs/dbraw/zinc/51/43/77/937514377.db2.gz FRAIPOQXFKFSIV-OAHLLOKOSA-N 1 1 282.428 3.286 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cccc(OCCC)c2)C1 ZINC001460309044 937525489 /nfs/dbraw/zinc/52/54/89/937525489.db2.gz LRBSAONGCPSPPV-HNNXBMFYSA-N 1 1 257.377 3.321 20 30 CGEDMO CCCCCCCCC[N@H+]1C[C@H](OC)C[C@]1(C)CO ZINC001460617937 937537082 /nfs/dbraw/zinc/53/70/82/937537082.db2.gz IVICEIWNOJTQDO-HZPDHXFCSA-N 1 1 271.445 3.209 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC001460693960 937540009 /nfs/dbraw/zinc/54/00/09/937540009.db2.gz SVAOPYWRLYSJKT-DOTOQJQBSA-N 1 1 263.425 3.317 20 30 CGEDMO N#Cc1ccc2[nH]cc(C[N@@H+]3CC[C@@]4(CC4(F)F)C3)c2c1 ZINC001140115178 931956296 /nfs/dbraw/zinc/95/62/96/931956296.db2.gz PJFGPSOLMHMVRS-OAHLLOKOSA-N 1 1 287.313 3.271 20 30 CGEDMO C#C[C@H]1CCCC[N@@H+]1Cc1nsc2ccccc21 ZINC001460918298 937552322 /nfs/dbraw/zinc/55/23/22/937552322.db2.gz PFBRRKYKXAXPSQ-LBPRGKRZSA-N 1 1 256.374 3.284 20 30 CGEDMO C#C[C@H]1CCCC[N@H+]1Cc1nsc2ccccc21 ZINC001460918298 937552325 /nfs/dbraw/zinc/55/23/25/937552325.db2.gz PFBRRKYKXAXPSQ-LBPRGKRZSA-N 1 1 256.374 3.284 20 30 CGEDMO C#C[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)OC)c(Cl)c1 ZINC001460921136 937553532 /nfs/dbraw/zinc/55/35/32/937553532.db2.gz VDDSKSVEFTZFTC-ZDUSSCGKSA-N 1 1 291.778 3.114 20 30 CGEDMO C#C[C@H]1CCCC[N@@H+]1Cc1ccc(C(=O)OC)c(Cl)c1 ZINC001460921136 937553535 /nfs/dbraw/zinc/55/35/35/937553535.db2.gz VDDSKSVEFTZFTC-ZDUSSCGKSA-N 1 1 291.778 3.114 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1c[nH]c2ccc(C)cc21 ZINC001157165578 931979239 /nfs/dbraw/zinc/97/92/39/931979239.db2.gz SFFVCLFYOOGGCQ-CQSZACIVSA-N 1 1 299.418 3.103 20 30 CGEDMO C=C(CC)C[N@H+]1C[C@@H](N2CCCC2)C[C@@H]1C(C)C ZINC001460938286 937554258 /nfs/dbraw/zinc/55/42/58/937554258.db2.gz RTUSPPKSWNXEFT-JKSUJKDBSA-N 1 1 250.430 3.147 20 30 CGEDMO C=C(CC)CN1C[C@@H]([NH+]2CCCC2)C[C@@H]1C(C)C ZINC001460938286 937554260 /nfs/dbraw/zinc/55/42/60/937554260.db2.gz RTUSPPKSWNXEFT-JKSUJKDBSA-N 1 1 250.430 3.147 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)CCC ZINC001329908080 932027796 /nfs/dbraw/zinc/02/77/96/932027796.db2.gz JPYGEXNJCQUWDM-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)CC1(C)CC1 ZINC001329936146 932028875 /nfs/dbraw/zinc/02/88/75/932028875.db2.gz HPRRXIWVRZAPOV-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C[N@H+]1CCc2cc(O[C@@H](C#N)c3ccccc3)ccc2C1 ZINC001228936111 932053834 /nfs/dbraw/zinc/05/38/34/932053834.db2.gz BTGNZCRDTWYQDE-SFHVURJKSA-N 1 1 278.355 3.318 20 30 CGEDMO C#C[C@H](CC(C)C)Oc1ccc2c(c1)CC[N@H+](C)C2 ZINC001228944542 932056941 /nfs/dbraw/zinc/05/69/41/932056941.db2.gz ONYKFWOBZYXQFP-MRXNPFEDSA-N 1 1 257.377 3.101 20 30 CGEDMO CC#CC[C@@H](CC)Oc1ccc2c(c1)CC[N@H+](C)C2 ZINC001228944118 932057216 /nfs/dbraw/zinc/05/72/16/932057216.db2.gz LRLDBSACTWOPDA-MRXNPFEDSA-N 1 1 257.377 3.245 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc(-c3ccccc3)o2)CCOCC1 ZINC001461811746 937598624 /nfs/dbraw/zinc/59/86/24/937598624.db2.gz ICJIJQZXEVXHFW-UHFFFAOYSA-N 1 1 296.370 3.357 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C1CCCC1 ZINC001230575012 932591000 /nfs/dbraw/zinc/59/10/00/932591000.db2.gz KBFNTIXGHLDUPF-HOCLYGCPSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1 ZINC001230622361 932600058 /nfs/dbraw/zinc/60/00/58/932600058.db2.gz XYBNYMNHBJLAEU-RDJZCZTQSA-N 1 1 286.419 3.188 20 30 CGEDMO C[N@H+]1CCC[C@@H](Oc2c(C#N)cccc2C(C)(C)C)C1 ZINC001230632613 932601455 /nfs/dbraw/zinc/60/14/55/932601455.db2.gz LBKOBDJYXIWOQG-CQSZACIVSA-N 1 1 272.392 3.329 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)CCC1CCCC1 ZINC001230675866 932607429 /nfs/dbraw/zinc/60/74/29/932607429.db2.gz KHIZIBRDUBCBPG-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)C=C(C)C ZINC001230681978 932608697 /nfs/dbraw/zinc/60/86/97/932608697.db2.gz RMUKRFYRJPBGHY-INIZCTEOSA-N 1 1 280.456 3.456 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CC(C)(C)C ZINC001230786095 932622904 /nfs/dbraw/zinc/62/29/04/932622904.db2.gz QORYROZAALBVLQ-LSDHHAIUSA-N 1 1 280.456 3.310 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CC(C)(C)C ZINC001230786093 932623034 /nfs/dbraw/zinc/62/30/34/932623034.db2.gz QORYROZAALBVLQ-GJZGRUSLSA-N 1 1 280.456 3.310 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)CSC(C)C ZINC001230823424 932627464 /nfs/dbraw/zinc/62/74/64/932627464.db2.gz HFDZPBNTZKLSRM-CABCVRRESA-N 1 1 298.496 3.015 20 30 CGEDMO C=CCCCCC[N@H+](C)CCCNC(=O)C1CCCC1 ZINC001231105843 932678399 /nfs/dbraw/zinc/67/83/99/932678399.db2.gz AEQWJQGLMXPURL-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(CCC)CCC1 ZINC001316599095 932743434 /nfs/dbraw/zinc/74/34/34/932743434.db2.gz AMFUEZNPXGCHIG-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@H](C)CCCCC ZINC001316603797 932747490 /nfs/dbraw/zinc/74/74/90/932747490.db2.gz RALIBGWDUCZDJA-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@H](C)CCCCC ZINC001316603797 932747493 /nfs/dbraw/zinc/74/74/93/932747493.db2.gz RALIBGWDUCZDJA-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CCC)CC(C)C ZINC001316609538 932748711 /nfs/dbraw/zinc/74/87/11/932748711.db2.gz CNHAWQGBDRUWOG-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CCC)CC(C)C ZINC001316609538 932748715 /nfs/dbraw/zinc/74/87/15/932748715.db2.gz CNHAWQGBDRUWOG-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)C=C(CC)CC ZINC001317169206 932781759 /nfs/dbraw/zinc/78/17/59/932781759.db2.gz GXLZYJLSZMCIOZ-INIZCTEOSA-N 1 1 278.440 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@]1(C)C=CCC1 ZINC001317174608 932784330 /nfs/dbraw/zinc/78/43/30/932784330.db2.gz USKTXVBROWZIBA-SJLPKXTDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)C[C@H](CC)C(C)C)C1 ZINC001493253727 932812951 /nfs/dbraw/zinc/81/29/51/932812951.db2.gz DYPYPKUYFVKCGR-HOTGVXAUSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)C2CC=CC2)C1 ZINC001317370120 932855581 /nfs/dbraw/zinc/85/55/81/932855581.db2.gz JNLSOPYKVPSEQF-DOTOQJQBSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)CC[C@H](O)C(C)C ZINC001307445330 932953240 /nfs/dbraw/zinc/95/32/40/932953240.db2.gz ZLMKZDGAMCZDAW-KRWDZBQOSA-N 1 1 261.409 3.124 20 30 CGEDMO CCCCCCCCCC[N@H+]1CCN2C(=O)CC[C@H]2C1 ZINC001307586141 932972454 /nfs/dbraw/zinc/97/24/54/932972454.db2.gz OUCYCASFQLEWRO-INIZCTEOSA-N 1 1 280.456 3.434 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](CCCc2ccccc2OC)C1 ZINC001307872504 933011881 /nfs/dbraw/zinc/01/18/81/933011881.db2.gz OSQQRNMWGVHDPL-INIZCTEOSA-N 1 1 271.404 3.363 20 30 CGEDMO C=C(Cl)C[N@H+](CC)CCOc1ccccc1C ZINC001307862871 933012401 /nfs/dbraw/zinc/01/24/01/933012401.db2.gz YUHQNQXKLDYXAL-UHFFFAOYSA-N 1 1 253.773 3.448 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)CCOc1ccccc1C ZINC001307862871 933012405 /nfs/dbraw/zinc/01/24/05/933012405.db2.gz YUHQNQXKLDYXAL-UHFFFAOYSA-N 1 1 253.773 3.448 20 30 CGEDMO C=C(C)C[C@@H]([NH2+][C@H]1CCCC(C)(C)C1)C(=O)OCC ZINC001462550105 937649901 /nfs/dbraw/zinc/64/99/01/937649901.db2.gz NYWRYLMGBPGWOD-UONOGXRCSA-N 1 1 267.413 3.443 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](CCCn2c3ccccc3[nH]c2=O)C1 ZINC001307914578 933018341 /nfs/dbraw/zinc/01/83/41/933018341.db2.gz HYGQGBZCUUEXHJ-OAHLLOKOSA-N 1 1 299.418 3.420 20 30 CGEDMO C=CC[N@@H+](C[C@@H]1CC[C@H](c2ccccc2)O1)[C@H](C)COC ZINC001307925075 933021772 /nfs/dbraw/zinc/02/17/72/933021772.db2.gz WZZSLEZRBPZFPP-BPQIPLTHSA-N 1 1 289.419 3.430 20 30 CGEDMO C=C(CC)C[N@@H+](CC(C)C)CC(C)(C)C(=O)OC ZINC001308033786 933038182 /nfs/dbraw/zinc/03/81/82/933038182.db2.gz QPSIOLHJSVSIRK-UHFFFAOYSA-N 1 1 255.402 3.110 20 30 CGEDMO C=C(C)C[N@@H+]1CCc2cc(OC)c(OC)cc2C1(C)C ZINC001308044519 933038531 /nfs/dbraw/zinc/03/85/31/933038531.db2.gz OHBYUDPTSCVQJL-UHFFFAOYSA-N 1 1 275.392 3.373 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCSC[C@H]2C2CC2)cc1F ZINC001308120853 933052845 /nfs/dbraw/zinc/05/28/45/933052845.db2.gz CQTSQRWETLBISI-INIZCTEOSA-N 1 1 290.407 3.415 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1nccc(OC)c1OC ZINC001308138013 933054788 /nfs/dbraw/zinc/05/47/88/933054788.db2.gz UAHQBBFBEBENEH-ZDUSSCGKSA-N 1 1 276.380 3.029 20 30 CGEDMO C#C[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC001308142198 933056719 /nfs/dbraw/zinc/05/67/19/933056719.db2.gz PXJDMGGHRAOMQY-INIZCTEOSA-N 1 1 256.393 3.049 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCCC[C@]23CCCOC3)cc1 ZINC001308169298 933063109 /nfs/dbraw/zinc/06/31/09/933063109.db2.gz ARWSUDYIXOIKKH-GOSISDBHSA-N 1 1 284.403 3.136 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@](C)(OC)C1CC1 ZINC001308577300 933136601 /nfs/dbraw/zinc/13/66/01/933136601.db2.gz HIVNHFHJGXZCML-SFHVURJKSA-N 1 1 289.419 3.498 20 30 CGEDMO C=CC[N@H+](Cc1cc(OC)c(O)cc1Cl)C(C)C ZINC001308583630 933138284 /nfs/dbraw/zinc/13/82/84/933138284.db2.gz BCZDVZHTZKUQJX-UHFFFAOYSA-N 1 1 269.772 3.451 20 30 CGEDMO C#CC[N@H+](Cc1cn(CC)nc1-c1ccccc1)CC1CC1 ZINC001308603375 933140229 /nfs/dbraw/zinc/14/02/29/933140229.db2.gz JIWBCRLRMHLWBE-UHFFFAOYSA-N 1 1 293.414 3.415 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@H]2C[C@@]2(F)c2ccccc2)cc1F ZINC001308829103 933185635 /nfs/dbraw/zinc/18/56/35/933185635.db2.gz CDNGNMKKQGJQCD-DLBZAZTESA-N 1 1 284.309 3.424 20 30 CGEDMO CN(c1ccccc1)[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC001308884175 933197124 /nfs/dbraw/zinc/19/71/24/933197124.db2.gz NOYZFFQSNGVVGG-FQEVSTJZSA-N 1 1 290.410 3.249 20 30 CGEDMO CC#CC[N@@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC001308964901 933214142 /nfs/dbraw/zinc/21/41/42/933214142.db2.gz FYUYVBPIJCSAIO-UHFFFAOYSA-N 1 1 284.325 3.227 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1CC12CCCC2 ZINC001317489233 933254566 /nfs/dbraw/zinc/25/45/66/933254566.db2.gz YHWREWLSOUGZOW-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](CNC(=O)C[C@@H](C)CC(C)C)C1 ZINC001317531771 933360574 /nfs/dbraw/zinc/36/05/74/933360574.db2.gz DOFRJFPXOQTVNO-JKSUJKDBSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@@H+](CC2CCC2)[C@H](C)C1 ZINC001328277143 933433463 /nfs/dbraw/zinc/43/34/63/933433463.db2.gz CRDJLXZRFFSASN-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CCC[N@H+](CCC)C2)CCCC1 ZINC001316951663 933460105 /nfs/dbraw/zinc/46/01/05/933460105.db2.gz CDDZMYCEYKUISA-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC001317034394 933468485 /nfs/dbraw/zinc/46/84/85/933468485.db2.gz BTPAKVADBDMQTC-IAGOWNOFSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C)C[C@@H]2C1 ZINC001316758359 933478432 /nfs/dbraw/zinc/47/84/32/933478432.db2.gz BAQNAXWOKJGGFZ-OAGGEKHMSA-N 1 1 292.467 3.168 20 30 CGEDMO C[N@@H+](CCCNC(=O)C#CC(C)(C)C)CCCC1CCC1 ZINC001316823293 933485287 /nfs/dbraw/zinc/48/52/87/933485287.db2.gz HDPZEUAVDFNEQY-UHFFFAOYSA-N 1 1 292.467 3.054 20 30 CGEDMO CCCCC[N@@H+](CCCNC(=O)C#CC(C)(C)C)C1CC1 ZINC001316915251 933495846 /nfs/dbraw/zinc/49/58/46/933495846.db2.gz OZNHOZGFOGXMSV-UHFFFAOYSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)C2CCCCC2)C1 ZINC001316987352 933505767 /nfs/dbraw/zinc/50/57/67/933505767.db2.gz BSHQTXHGGINYDL-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@]2(C)CC=CCC2)C1 ZINC001317036347 933518948 /nfs/dbraw/zinc/51/89/48/933518948.db2.gz DLTBDTROAYFPFA-AEFFLSMTSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)C[C@H](C)CCC)C1 ZINC001317127147 933537736 /nfs/dbraw/zinc/53/77/36/933537736.db2.gz CUQKSOPPLDZAFC-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccsc1 ZINC001317165394 933545609 /nfs/dbraw/zinc/54/56/09/933545609.db2.gz IUYRUXOHFVXUAT-HNNXBMFYSA-N 1 1 292.448 3.185 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)F ZINC001317166144 933545660 /nfs/dbraw/zinc/54/56/60/933545660.db2.gz KSPGKTBNOKVKSK-OAHLLOKOSA-N 1 1 298.446 3.452 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C=C2CCC2)C1 ZINC001317200648 933551023 /nfs/dbraw/zinc/55/10/23/933551023.db2.gz LDTROYLTAVXNIZ-DOTOQJQBSA-N 1 1 290.451 3.280 20 30 CGEDMO C#CCCCCCC(=O)N[C@H](C)[C@@H]1CCC[N@H+](CCC)C1 ZINC001317210834 933555065 /nfs/dbraw/zinc/55/50/65/933555065.db2.gz VFOXIRZCHYKTDO-IAGOWNOFSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)CCCCC)C1 ZINC001317372205 933578987 /nfs/dbraw/zinc/57/89/87/933578987.db2.gz RUNZZPRXEMDNID-INIZCTEOSA-N 1 1 280.456 3.456 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@@H]([N@H+](C)CC(C)C)C1 ZINC001317378008 933582669 /nfs/dbraw/zinc/58/26/69/933582669.db2.gz VUVBMVDFLGPQGC-OAHLLOKOSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)C12CCC(CC1)C2 ZINC001317503801 933603943 /nfs/dbraw/zinc/60/39/43/933603943.db2.gz SNSXYYIABOFOJS-UPTPFMHGSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H]1CCC[N@@H+]1CC(CC)CC ZINC001317501021 933604304 /nfs/dbraw/zinc/60/43/04/933604304.db2.gz DTJMVYDKTZUEIZ-MRXNPFEDSA-N 1 1 280.456 3.360 20 30 CGEDMO CC(C)C#CC(=O)NC[C@@H]1CCC[N@H+]1CCCC(C)(C)C ZINC001317500049 933605313 /nfs/dbraw/zinc/60/53/13/933605313.db2.gz UTEVWSQJOPBHSJ-INIZCTEOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)C2CCCC2)C1 ZINC001317524948 933608956 /nfs/dbraw/zinc/60/89/56/933608956.db2.gz CYCNFPIUNFRIBJ-HNNXBMFYSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(Cl)C[N@H+](CCC)CCNC(=O)[C@@H]1CC12CCCC2 ZINC001317546350 933615039 /nfs/dbraw/zinc/61/50/39/933615039.db2.gz CUSYPQYSHUPOAQ-AWEZNQCLSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C(Cl)C[N@@H+](CCC)CCNC(=O)[C@@H]1CC12CCCC2 ZINC001317546350 933615041 /nfs/dbraw/zinc/61/50/41/933615041.db2.gz CUSYPQYSHUPOAQ-AWEZNQCLSA-N 1 1 298.858 3.147 20 30 CGEDMO CC#CC[N@@H+](CCC)CCNC(=O)CC1(C)CCCCC1 ZINC001317543239 933615381 /nfs/dbraw/zinc/61/53/81/933615381.db2.gz JUSNWFKVCRIREF-UHFFFAOYSA-N 1 1 292.467 3.198 20 30 CGEDMO C=CCCC[N@H+](CCNC(=O)[C@@H](C)C(C)(C)C)C1CC1 ZINC001317553340 933616678 /nfs/dbraw/zinc/61/66/78/933616678.db2.gz JFQLXGICSWDILG-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@H+](CCNC(=O)C[C@H]1CCC[C@@H]1C)C1CC1 ZINC001317550929 933618444 /nfs/dbraw/zinc/61/84/44/933618444.db2.gz DCSXQNZNGCFNCO-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+](CCNC(=O)C1CCCCCCC1)C1CC1 ZINC001317555930 933620252 /nfs/dbraw/zinc/62/02/52/933620252.db2.gz UPLSTJNWJKTLAM-UHFFFAOYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(Cl)C[N@H+](CCCNC(=O)c1occc1C)C(C)C ZINC001317675366 933629903 /nfs/dbraw/zinc/62/99/03/933629903.db2.gz JIOXQRJSZHLQRR-UHFFFAOYSA-N 1 1 298.814 3.171 20 30 CGEDMO C=C(Cl)C[N@H+](CCCNC(=O)/C=C(\C)C1CC1)C(C)C ZINC001317682845 933632572 /nfs/dbraw/zinc/63/25/72/933632572.db2.gz OCQJSUNKNCZBDZ-JLHYYAGUSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)C[C@H](C=C)CC)C1 ZINC001317762543 933644544 /nfs/dbraw/zinc/64/45/44/933644544.db2.gz AZKLMFVPYDUBBJ-CVEARBPZSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)C[C@H](C)CC)C1 ZINC001317782733 933649377 /nfs/dbraw/zinc/64/93/77/933649377.db2.gz QQYAKWDFPBFOMQ-CVEARBPZSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC(C)(C)C(=O)NCC[C@@H]1CC[N@H+](C[C@@H](F)CC)C1 ZINC001317801648 933651491 /nfs/dbraw/zinc/65/14/91/933651491.db2.gz DSZMMPBOEULNBI-CABCVRRESA-N 1 1 298.446 3.165 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001317800480 933651946 /nfs/dbraw/zinc/65/19/46/933651946.db2.gz IJJURLZBZRJGFN-HOTGVXAUSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](CCNC(=O)C[C@@H](CC)C(C)C)C1 ZINC001317809632 933654544 /nfs/dbraw/zinc/65/45/44/933654544.db2.gz QMQGHDOTVUYYOI-HZPDHXFCSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC2(C)C)C1 ZINC001317847994 933656664 /nfs/dbraw/zinc/65/66/64/933656664.db2.gz JXRZGOAQUXZSPX-JKSUJKDBSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)C[C@@H](C)CC(C)C)C1 ZINC001317856573 933658569 /nfs/dbraw/zinc/65/85/69/933658569.db2.gz HMVAZPZTQVQWLA-DLBZAZTESA-N 1 1 294.483 3.415 20 30 CGEDMO C#CCCCCCC(=O)N[C@H]1CCC[N@H+](C[C@H](C)CC)C1 ZINC001317979364 933671879 /nfs/dbraw/zinc/67/18/79/933671879.db2.gz JBERYRHQWZSHIZ-SJORKVTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@H](NC(=O)C2(C3CC3)CC2)C1 ZINC001318257014 933701233 /nfs/dbraw/zinc/70/12/33/933701233.db2.gz BLGAAPPLQNVWDE-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@](C)(F)CCCC)C1 ZINC001318411389 933720600 /nfs/dbraw/zinc/72/06/00/933720600.db2.gz CVPBMLMPJVIKKT-NVXWUHKLSA-N 1 1 298.446 3.404 20 30 CGEDMO C=CCOc1ccc(CN[C@@H]2CCCC[C@H]2[NH+](C)C)cc1 ZINC001318411403 933722323 /nfs/dbraw/zinc/72/23/23/933722323.db2.gz UEVLGKPOIOAVGP-QZTJIDSGSA-N 1 1 288.435 3.214 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C2(C)CC=CC2)C1 ZINC001318425505 933724019 /nfs/dbraw/zinc/72/40/19/933724019.db2.gz QATRJDVGSXIKGU-HZPDHXFCSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC=CCC2)C1 ZINC001318457489 933729558 /nfs/dbraw/zinc/72/95/58/933729558.db2.gz GNZSLVLHKXGJIY-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC(C)(C)CCCNC(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC001467129332 937715286 /nfs/dbraw/zinc/71/52/86/937715286.db2.gz YEUYEUZGOKZVCZ-UHFFFAOYSA-N 1 1 290.411 3.262 20 30 CGEDMO C=CCC[C@H](CCC)[NH2+]C[C@H]1CN2CCC1CC2 ZINC001474734619 933820734 /nfs/dbraw/zinc/82/07/34/933820734.db2.gz ALOWPWVOJRDUMA-HOTGVXAUSA-N 1 1 250.430 3.053 20 30 CGEDMO CC(C)C(C#N)=CNNc1cccc(C(F)(F)F)[nH+]1 ZINC001319381314 933866674 /nfs/dbraw/zinc/86/66/74/933866674.db2.gz QFWDQBLKNUNOKQ-SECBINFHSA-N 1 1 270.258 3.294 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cccc(OC(C)(C)C)n2)C1 ZINC001320038788 933986123 /nfs/dbraw/zinc/98/61/23/933986123.db2.gz DHSUORYUVQIZCH-HNNXBMFYSA-N 1 1 290.407 3.036 20 30 CGEDMO C[C@H](N[C@H]1CCCC[C@@H]1[NH+](C)C)c1ccc(C#N)cc1 ZINC001320070440 933992604 /nfs/dbraw/zinc/99/26/04/933992604.db2.gz JPIGNOVFVKTPIS-JQFCIGGWSA-N 1 1 271.408 3.082 20 30 CGEDMO C=C(C)[C@@H](CO)[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC001320089694 933997103 /nfs/dbraw/zinc/99/71/03/933997103.db2.gz WOUXSGGZBMJOON-WDEREUQCSA-N 1 1 268.426 3.028 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2ccn(C(CC)CC)n2)C1 ZINC001320160314 934011317 /nfs/dbraw/zinc/01/13/17/934011317.db2.gz OEJLDEALZHSXRJ-INIZCTEOSA-N 1 1 277.412 3.021 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccn(C(CC)CC)n2)C1 ZINC001320160314 934011321 /nfs/dbraw/zinc/01/13/21/934011321.db2.gz OEJLDEALZHSXRJ-INIZCTEOSA-N 1 1 277.412 3.021 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2coc(-c3cccs3)n2)C1 ZINC001320161419 934011504 /nfs/dbraw/zinc/01/15/04/934011504.db2.gz YNFACUHBELWOLP-CYBMUJFWSA-N 1 1 290.388 3.180 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2coc(-c3cccs3)n2)C1 ZINC001320161419 934011510 /nfs/dbraw/zinc/01/15/10/934011510.db2.gz YNFACUHBELWOLP-CYBMUJFWSA-N 1 1 290.388 3.180 20 30 CGEDMO C=CC[C@H]([NH2+][C@@H]1CCC[C@@H](C2CC2)C1)C(=O)OCC ZINC001321148098 934156467 /nfs/dbraw/zinc/15/64/67/934156467.db2.gz IRYKXEZBWAUWIA-KFWWJZLASA-N 1 1 265.397 3.053 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)c1cc(C)oc1C ZINC001322107686 934244882 /nfs/dbraw/zinc/24/48/82/934244882.db2.gz BEUUQIKJGZHXLZ-OLZOCXBDSA-N 1 1 292.423 3.301 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H](C)C[N@H+](C)CCCCC ZINC001322218699 934259167 /nfs/dbraw/zinc/25/91/67/934259167.db2.gz NZZFZKJPMDYSBU-AWEZNQCLSA-N 1 1 268.445 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)CC1CC(C)(C)C1 ZINC001323287836 934380846 /nfs/dbraw/zinc/38/08/46/934380846.db2.gz UVCZPCFRKBYBJK-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CCCCCF)CC1 ZINC001323302176 934381465 /nfs/dbraw/zinc/38/14/65/934381465.db2.gz MSGQYYPLIKESKM-INIZCTEOSA-N 1 1 296.430 3.063 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(Cl)cs1 ZINC001323316700 934382300 /nfs/dbraw/zinc/38/23/00/934382300.db2.gz BGXKTCXGVXSDIU-GFCCVEGCSA-N 1 1 298.839 3.172 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC([C@H]2CC[N@@H+](CC)C2)CC1 ZINC001323637716 934413704 /nfs/dbraw/zinc/41/37/04/934413704.db2.gz MVLKEVDCJHUKSH-RDJZCZTQSA-N 1 1 292.467 3.169 20 30 CGEDMO Cc1cc(OCc2ccc(C#N)cc2OC(F)F)cc[nH+]1 ZINC001323878162 934434924 /nfs/dbraw/zinc/43/49/24/934434924.db2.gz BJJAQURWPBEWHF-UHFFFAOYSA-N 1 1 290.269 3.442 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC001324489363 934513154 /nfs/dbraw/zinc/51/31/54/934513154.db2.gz VYLVCYFWULGLTK-OAHLLOKOSA-N 1 1 265.784 3.159 20 30 CGEDMO C#CCC(C)(C)C(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC001324524535 934519808 /nfs/dbraw/zinc/51/98/08/934519808.db2.gz VRXXDBYNJFXWAQ-UHFFFAOYSA-N 1 1 295.386 3.289 20 30 CGEDMO C[N@@H+](CCNc1cc(F)ccc1C#N)Cc1ccccc1 ZINC001472668157 937779900 /nfs/dbraw/zinc/77/99/00/937779900.db2.gz INTAKSKKKIBNRF-UHFFFAOYSA-N 1 1 283.350 3.241 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C)[C@@H]2CC)cc1 ZINC001473410887 937806138 /nfs/dbraw/zinc/80/61/38/937806138.db2.gz OTALDLMLJYTGQH-YOEHRIQHSA-N 1 1 284.403 3.117 20 30 CGEDMO C=C(CC)C[N@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC001473439449 937807051 /nfs/dbraw/zinc/80/70/51/937807051.db2.gz DWCYZQSBCGOHJN-CQSZACIVSA-N 1 1 262.372 3.302 20 30 CGEDMO C=C(C)C[N@@H+]1CCN(c2cccc(Cl)c2)C[C@@H]1C ZINC001473493735 937809009 /nfs/dbraw/zinc/80/90/09/937809009.db2.gz IJHWQVZQTJBYTB-ZDUSSCGKSA-N 1 1 264.800 3.427 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccc(CCC)cc2)C1 ZINC001325229404 934896914 /nfs/dbraw/zinc/89/69/14/934896914.db2.gz ZTJQTRWYLQYUNI-KRWDZBQOSA-N 1 1 259.393 3.416 20 30 CGEDMO C=CCCC[N@H+]1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC001473561375 937811219 /nfs/dbraw/zinc/81/12/19/937811219.db2.gz MFGZRVFQHKOLKO-ZIAGYGMSSA-N 1 1 267.413 3.252 20 30 CGEDMO C=CCCCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC001325629727 934921401 /nfs/dbraw/zinc/92/14/01/934921401.db2.gz NIYJEBUMTCSKMK-MUJYYYPQSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC1 ZINC001325878179 934937257 /nfs/dbraw/zinc/93/72/57/934937257.db2.gz XATXKVUNTQRFLM-IRXDYDNUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC001473628073 937815100 /nfs/dbraw/zinc/81/51/00/937815100.db2.gz ZOOQEGVMHPXPKF-NVXWUHKLSA-N 1 1 284.403 3.080 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](CCSC2CCCCC2)C1 ZINC001327068360 935026594 /nfs/dbraw/zinc/02/65/94/935026594.db2.gz SFOTUMKLCMDQCH-CQSZACIVSA-N 1 1 269.454 3.329 20 30 CGEDMO C#CCCCC(=O)N[C@H]1CCC[N@H+](CCCC(C)C)CC1 ZINC001327111837 935031036 /nfs/dbraw/zinc/03/10/36/935031036.db2.gz HQNCNSCWNMFQLC-KRWDZBQOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1CCC[N@@H+](CC(=C)C)CC1 ZINC001327147351 935036849 /nfs/dbraw/zinc/03/68/49/935036849.db2.gz NZXHYTSKQTXHLY-NVXWUHKLSA-N 1 1 278.440 3.136 20 30 CGEDMO CC[N@H+]1CCC[C@H](CNc2ccc(C#N)c(Cl)c2)C1 ZINC001327617031 935074922 /nfs/dbraw/zinc/07/49/22/935074922.db2.gz OTTIWPIFVLLDEE-GFCCVEGCSA-N 1 1 277.799 3.355 20 30 CGEDMO CC(C)(C)[N@H+]1CC[C@@H](NC2CC(C#N)(c3ccccc3)C2)C1 ZINC001327793712 935085005 /nfs/dbraw/zinc/08/50/05/935085005.db2.gz VINLNGVLGBSVIW-LRYGQEGESA-N 1 1 297.446 3.073 20 30 CGEDMO CC(C)(C)N1CC[C@@H]([NH2+]C2CC(C#N)(c3ccccc3)C2)C1 ZINC001327793712 935085012 /nfs/dbraw/zinc/08/50/12/935085012.db2.gz VINLNGVLGBSVIW-LRYGQEGESA-N 1 1 297.446 3.073 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[N@H+](CCCC)[C@@H](C)C1 ZINC001328276210 935127960 /nfs/dbraw/zinc/12/79/60/935127960.db2.gz AGGPPQOAHSFNLY-LSDHHAIUSA-N 1 1 266.429 3.112 20 30 CGEDMO C=CC[N@H+](Cc1cn(C)nc1C(F)F)C(C)(C)C ZINC001328428500 935137047 /nfs/dbraw/zinc/13/70/47/935137047.db2.gz CPXJTSIJPBXOAI-UHFFFAOYSA-N 1 1 257.328 3.144 20 30 CGEDMO C#CCCCC(=O)N1CCC[C@H]1C[N@H+](C)CC(CC)CC ZINC001328720693 935163268 /nfs/dbraw/zinc/16/32/68/935163268.db2.gz ORRDBNKCKBLGSN-KRWDZBQOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)CCCC1CC1 ZINC001328753323 935166238 /nfs/dbraw/zinc/16/62/38/935166238.db2.gz QXCLLFYDBIZARO-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC(C)C ZINC001328752320 935166250 /nfs/dbraw/zinc/16/62/50/935166250.db2.gz HORRQTLZBKFTBD-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC(=O)NC[C@@H](C)[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC001329397186 935211957 /nfs/dbraw/zinc/21/19/57/935211957.db2.gz OGIUXFKQXXDCGM-ZIAGYGMSSA-N 1 1 292.398 3.289 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H](C)[N@@H+](C)CCC1CCCC1 ZINC001329524291 935223359 /nfs/dbraw/zinc/22/33/59/935223359.db2.gz OBUPSIUTFGRGDG-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)CCc1ccccc1 ZINC001329601977 935233070 /nfs/dbraw/zinc/23/30/70/935233070.db2.gz XIISMVAOJXIEAU-INIZCTEOSA-N 1 1 288.435 3.022 20 30 CGEDMO C=CCO[C@@H]1CCN(c2cc[nH+]c3ccsc32)C1 ZINC001329988381 935259374 /nfs/dbraw/zinc/25/93/74/935259374.db2.gz PTINCXHMAAHWIW-LLVKDONJSA-N 1 1 260.362 3.078 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC2(C)C)C(C)(C)C1 ZINC001330222550 935278014 /nfs/dbraw/zinc/27/80/14/935278014.db2.gz OUPFQJCBTSVKAC-LSDHHAIUSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCC2(CN(C(=O)/C(C)=C\C)C2)C1 ZINC001330490138 935290746 /nfs/dbraw/zinc/29/07/46/935290746.db2.gz YHXGINMHIJITTF-OBHDYHNASA-N 1 1 290.451 3.232 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC([N@@H+](C)C/C=C/Cl)CC2)C1 ZINC001331053730 935346370 /nfs/dbraw/zinc/34/63/70/935346370.db2.gz LWIZJYIYUFTYJD-QPJJXVBHSA-N 1 1 296.842 3.018 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cccnc2C(F)(F)F)C1 ZINC001331606038 935399313 /nfs/dbraw/zinc/39/93/13/935399313.db2.gz DCUZBZCLACIWHQ-GFCCVEGCSA-N 1 1 282.309 3.336 20 30 CGEDMO C=C(C)CCC(=O)N[C@@]12CCC[C@H]1[N@@H+](CCC(=C)C)CC2 ZINC001332091018 935438645 /nfs/dbraw/zinc/43/86/45/935438645.db2.gz OJSFFUBMTVTHLZ-SJLPKXTDSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C[C@H](C)O[NH+]=Cc1sc(N2CCCCC2)nc1C ZINC001332538623 935475873 /nfs/dbraw/zinc/47/58/73/935475873.db2.gz QNGZJHANKVGBKI-NSHDSACASA-N 1 1 279.409 3.367 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)C1C=CC=CC=C1)C(C)C ZINC001332708123 935483518 /nfs/dbraw/zinc/48/35/18/935483518.db2.gz UUQCFRZPROHKBT-UHFFFAOYSA-N 1 1 288.435 3.030 20 30 CGEDMO C[N@@H+](CC1CCC(C#N)CC1)CC1(O)CCCCCC1 ZINC001332937128 935499198 /nfs/dbraw/zinc/49/91/98/935499198.db2.gz DCNFTHJEBFOGDA-UHFFFAOYSA-N 1 1 278.440 3.333 20 30 CGEDMO C=CC(C)(C)C(=O)NCC1=CC[N@@H+](CCCCC)CC1 ZINC001333380373 935531655 /nfs/dbraw/zinc/53/16/55/935531655.db2.gz YZNAOYQYFOUHBQ-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C[N@H+](Cc1ccnn1C1CCC1)Cc1cccc(C#N)c1 ZINC001333630286 935554064 /nfs/dbraw/zinc/55/40/64/935554064.db2.gz VDIWOFHICQKHJY-UHFFFAOYSA-N 1 1 280.375 3.112 20 30 CGEDMO C[N@@H+](Cc1ccnn1C1CCC1)Cc1cccc(C#N)c1 ZINC001333630286 935554067 /nfs/dbraw/zinc/55/40/67/935554067.db2.gz VDIWOFHICQKHJY-UHFFFAOYSA-N 1 1 280.375 3.112 20 30 CGEDMO Cc1cccnc1[C@@H]([NH2+]CC1(C#N)CC1)C(C)(C)C ZINC001334680475 936108374 /nfs/dbraw/zinc/10/83/74/936108374.db2.gz WAQDENUFOCINPO-CQSZACIVSA-N 1 1 257.381 3.371 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccc(OCCC)cc2)C1 ZINC001337720408 936283155 /nfs/dbraw/zinc/28/31/55/936283155.db2.gz ARTKSVRQKWVLJT-KRWDZBQOSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cc(C)c3ncccc3c2)C1 ZINC001337728030 936284225 /nfs/dbraw/zinc/28/42/25/936284225.db2.gz MJIMMWUAAOTERZ-QGZVFWFLSA-N 1 1 282.387 3.320 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+]([C@H](C)CCc2cccc(F)c2)C1 ZINC001337728937 936284264 /nfs/dbraw/zinc/28/42/64/936284264.db2.gz ZYZFMGUXNHVYPB-RHSMWYFYSA-N 1 1 277.383 3.424 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1CCCCn1ccnc1C ZINC001473857129 937825184 /nfs/dbraw/zinc/82/51/84/937825184.db2.gz FARQDGLLERCIGL-INIZCTEOSA-N 1 1 261.413 3.402 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1cnc(N(C)C)c2ccccc12 ZINC001473865144 937825811 /nfs/dbraw/zinc/82/58/11/937825811.db2.gz LPOYLXWQIWEPJE-OAHLLOKOSA-N 1 1 281.403 3.451 20 30 CGEDMO C#C[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC001473867999 937826103 /nfs/dbraw/zinc/82/61/03/937826103.db2.gz DJPAELRFGVPSHM-GJZGRUSLSA-N 1 1 297.320 3.227 20 30 CGEDMO C#CCOc1ccccc1CNc1ccc(OCC)c(C)[nH+]1 ZINC001474218764 937844802 /nfs/dbraw/zinc/84/48/02/937844802.db2.gz GZQASENBZJIKNI-UHFFFAOYSA-N 1 1 296.370 3.413 20 30 CGEDMO Cc1ccc(C[NH2+]Cc2cc(F)cc(F)c2O)cc1C#N ZINC001474264168 937847013 /nfs/dbraw/zinc/84/70/13/937847013.db2.gz SPLWCYBVFKWQFO-UHFFFAOYSA-N 1 1 288.297 3.140 20 30 CGEDMO C=CCC1(C(=O)N(C)C[C@@H]2CC[N@@H+]2CC[C@H](C)F)CCC1 ZINC001479244576 937918589 /nfs/dbraw/zinc/91/85/89/937918589.db2.gz KRSCTGQAQSTEKF-GJZGRUSLSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)CCC2CCC2)CC(C)(C)C1 ZINC001479745065 937925371 /nfs/dbraw/zinc/92/53/71/937925371.db2.gz LYMMQJMJUAJGMP-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCCCCC(=O)N[C@H]1CC[N@H+](C(C)C)CC(C)(C)C1 ZINC001479745979 937925443 /nfs/dbraw/zinc/92/54/43/937925443.db2.gz ONARGUSHYLJJQT-INIZCTEOSA-N 1 1 292.467 3.195 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](C)CCC)C1 ZINC001479899962 937928487 /nfs/dbraw/zinc/92/84/87/937928487.db2.gz YSUOFWFNIXXLJB-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H](NC(=O)[C@H](F)CC)C1 ZINC001479909374 937929006 /nfs/dbraw/zinc/92/90/06/937929006.db2.gz VQVQLYWJIMMSEN-LSDHHAIUSA-N 1 1 286.435 3.286 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CCC[N@H+](CCCC(C)C)C1 ZINC001479904879 937929232 /nfs/dbraw/zinc/92/92/32/937929232.db2.gz ZFNSRJZPLGUSQL-MRXNPFEDSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)/C(C)=C/CC)C1 ZINC001479945674 937929572 /nfs/dbraw/zinc/92/95/72/937929572.db2.gz KKUUDSURSOBHAH-AAGJOFLKSA-N 1 1 278.440 3.280 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001479963297 937930387 /nfs/dbraw/zinc/93/03/87/937930387.db2.gz YBBUYCKFBADFEQ-WMZOPIPTSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)C2(C)CCC2)C1 ZINC001480081242 937931794 /nfs/dbraw/zinc/93/17/94/937931794.db2.gz DIPOMZNFTIQZLR-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](CC)CC(C)C)C1 ZINC001480088960 937932195 /nfs/dbraw/zinc/93/21/95/937932195.db2.gz NPHQGIOFZRCHKO-DLBZAZTESA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H](C)F ZINC001480180917 937933689 /nfs/dbraw/zinc/93/36/89/937933689.db2.gz KPLCTYNXSXEYKK-WZYMTQMTSA-N 1 1 296.430 3.202 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](CNC(=O)C2(C)CC2)C1 ZINC001480254060 937935090 /nfs/dbraw/zinc/93/50/90/937935090.db2.gz SGVWJWSKAABCHU-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)C[C@@H](C)CC(C)C)C1 ZINC001480267360 937935424 /nfs/dbraw/zinc/93/54/24/937935424.db2.gz LNKJJWWLDSUEQL-IRXDYDNUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)C1(C)CC=CC1 ZINC001480325748 937936316 /nfs/dbraw/zinc/93/63/16/937936316.db2.gz YRXBZBKSNQKEPW-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001480717154 937942395 /nfs/dbraw/zinc/94/23/95/937942395.db2.gz SLESHYHZDNBCFX-QGZVFWFLSA-N 1 1 286.419 3.189 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC12CCC2 ZINC001480830159 937945461 /nfs/dbraw/zinc/94/54/61/937945461.db2.gz TXTDBWPGUIKZDP-CVEARBPZSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@H]1CC[N@H+](CC/C=C\CC)C1 ZINC001493206438 937948340 /nfs/dbraw/zinc/94/83/40/937948340.db2.gz JSCJIDDAKKZMPL-XITLMJRVSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)C2CCC2)C1 ZINC001493223580 937948657 /nfs/dbraw/zinc/94/86/57/937948657.db2.gz PPVIOQFJCUMUPU-HNNXBMFYSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@@H+](CCC)CCNC(=O)[C@H]1CCCC12CC2 ZINC001493299470 937949086 /nfs/dbraw/zinc/94/90/86/937949086.db2.gz QFZFPCZNCQJVOP-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCC[N@@H+](CCC)CCNC(=O)c1ccc2cc[nH]c2c1 ZINC001493316885 937949630 /nfs/dbraw/zinc/94/96/30/937949630.db2.gz RTZXZJHQWMZZPK-UHFFFAOYSA-N 1 1 299.418 3.186 20 30 CGEDMO C=CCC1(C(=O)NCC[N@@H+](CC2CCC2)C2CC2)CCC1 ZINC001493411231 937949978 /nfs/dbraw/zinc/94/99/78/937949978.db2.gz AGIGWIZYFQRDJG-UHFFFAOYSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@@H+](CCNC(=O)[C@@H]1CCCC12CC2)C1CC1 ZINC001493381235 937950200 /nfs/dbraw/zinc/95/02/00/937950200.db2.gz BQKINCYKXYCUJY-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+](CCCNC(=O)[C@@H]1CC1(C)C)C(C)C ZINC001493858125 937951487 /nfs/dbraw/zinc/95/14/87/937951487.db2.gz MJQGFFXQXOHHBY-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CCCCC(=O)N(CCC)[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC001493949183 937952602 /nfs/dbraw/zinc/95/26/02/937952602.db2.gz UFKCICWFGJHOQW-KRWDZBQOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)[C@H](C)C(C)(C)C)C1 ZINC001494027607 937953003 /nfs/dbraw/zinc/95/30/03/937953003.db2.gz GGNMZXCOOCNPSB-GJZGRUSLSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)C2CC(C)(C)C2)C1 ZINC001494124358 937953241 /nfs/dbraw/zinc/95/32/41/937953241.db2.gz GOXSWDLUEGUCDO-OAHLLOKOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@]2(C)C=CCC2)C1 ZINC001494152452 937953785 /nfs/dbraw/zinc/95/37/85/937953785.db2.gz CAXZMFAYOZDKFC-FUHWJXTLSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)[C@H](F)CC2CCCCC2)C1 ZINC001494483761 937954761 /nfs/dbraw/zinc/95/47/61/937954761.db2.gz CMPFNFGDQXNSOF-MRXNPFEDSA-N 1 1 296.430 3.062 20 30 CGEDMO C/C=C(/C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCCCCC ZINC001494650545 937955282 /nfs/dbraw/zinc/95/52/82/937955282.db2.gz MSBZAVLBLUUOCK-BTOPGYKJSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC1CC1 ZINC001494648855 937955310 /nfs/dbraw/zinc/95/53/10/937955310.db2.gz DLVCSYRODWWAIJ-IRXDYDNUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)C2(CCCC)CC2)C1 ZINC001494849137 937956502 /nfs/dbraw/zinc/95/65/02/937956502.db2.gz WMIJXDHVLJFWHY-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)CC2(C=C)CCCCC2)C1 ZINC001494852508 937956701 /nfs/dbraw/zinc/95/67/01/937956701.db2.gz MWPATENJEIMWHX-INIZCTEOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C/C(C)=C\CC(=O)N(CC)[C@H]1CC[N@@H+](CC(=C)C)C1 ZINC001494910923 937957424 /nfs/dbraw/zinc/95/74/24/937957424.db2.gz QYNFBZBBALBBIX-YMDFIQGPSA-N 1 1 276.424 3.008 20 30 CGEDMO C=CC[N@H+](C)CCC1CCN(C(=O)[C@@H](C)[C@H](C)CC)CC1 ZINC001496511275 937962887 /nfs/dbraw/zinc/96/28/87/937962887.db2.gz RPMPGSNVEKRDCB-CVEARBPZSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)c1cc(C)ccc1F ZINC001496792625 937964153 /nfs/dbraw/zinc/96/41/53/937964153.db2.gz RTYCPSHBDPTCLW-UHFFFAOYSA-N 1 1 292.398 3.104 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CN(C(=O)CCCC3CC3)CC[C@H]21 ZINC001496863569 937964458 /nfs/dbraw/zinc/96/44/58/937964458.db2.gz OWSOUFDYEGOJBX-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H]2CN(C(=O)CC)CC[C@@H]21 ZINC001496851751 937964635 /nfs/dbraw/zinc/96/46/35/937964635.db2.gz SMULSLYFNZBVKG-HOTGVXAUSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC(C)(C)C1 ZINC001498376277 937969350 /nfs/dbraw/zinc/96/93/50/937969350.db2.gz IWWLNXXNTYRGCE-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CNC(=O)C1(C)CCCCCC1 ZINC001498997196 937971658 /nfs/dbraw/zinc/97/16/58/937971658.db2.gz GGVHEVIMXKXAGZ-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)C1CCCC1 ZINC001498999857 937971760 /nfs/dbraw/zinc/97/17/60/937971760.db2.gz YGJRBOKIFFYYML-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]1CNC(=O)C1(C)CC=CC1 ZINC001499056237 937972240 /nfs/dbraw/zinc/97/22/40/937972240.db2.gz IYDRYYYWYJACCC-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CC[N@H+](CCC)C1 ZINC001499479994 937973557 /nfs/dbraw/zinc/97/35/57/937973557.db2.gz BNAUFSIVUVNPAZ-IAGOWNOFSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@H+](CCNC(=O)[C@@H](C)CC)C1CCCCCC1 ZINC001499517639 937973662 /nfs/dbraw/zinc/97/36/62/937973662.db2.gz JKGOIYMRIBDJSU-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC(=O)N(C)C1C[NH+]([C@@H](C)c2cccc(C)c2)C1 ZINC001499643022 937974125 /nfs/dbraw/zinc/97/41/25/937974125.db2.gz GLYCBCGNIFNWAI-HNNXBMFYSA-N 1 1 286.419 3.165 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC)C2 ZINC001500155532 937975970 /nfs/dbraw/zinc/97/59/70/937975970.db2.gz ZSAZXRKTHDXJCJ-KRWDZBQOSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCC(C)(C)C(=O)NCc1ccccc1C[N@H+](C)CC ZINC001501668972 937980239 /nfs/dbraw/zinc/98/02/39/937980239.db2.gz VOVSLWBRIDGGRB-UHFFFAOYSA-N 1 1 288.435 3.357 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)CCC)CC1 ZINC001502116771 937981369 /nfs/dbraw/zinc/98/13/69/937981369.db2.gz OMFPSXCTGKXSIM-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)C[C@H]1CCC[C@H]1C ZINC001502335809 937981944 /nfs/dbraw/zinc/98/19/44/937981944.db2.gz AVQKAASENQCQNS-HZPDHXFCSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)CCCF)C(C)(C)C1 ZINC001502830501 937983470 /nfs/dbraw/zinc/98/34/70/937983470.db2.gz IKYXGYWSXOUGQD-GJZGRUSLSA-N 1 1 298.446 3.308 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1CC[N@@H+](CCC(C)(C)C)[C@@H](C)C1 ZINC001502923393 937984002 /nfs/dbraw/zinc/98/40/02/937984002.db2.gz QHTVVKWZZIFPRO-JKSUJKDBSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C/C=C(/C)C=C)C[C@@H]1C ZINC001502970056 937984044 /nfs/dbraw/zinc/98/40/44/937984044.db2.gz RBXRIVPJSLQLBP-IBBDDHLBSA-N 1 1 276.424 3.054 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@H]1C[N@@H+](C)C/C=C\Cl ZINC001505441746 937985449 /nfs/dbraw/zinc/98/54/49/937985449.db2.gz JSOWATPKCJXMDW-LEJCZOIISA-N 1 1 298.858 3.264 20 30 CGEDMO C=CCCC(=O)NC[C@H](C)[N@@H+](C)Cc1c(C)cccc1C ZINC001505884721 937987653 /nfs/dbraw/zinc/98/76/53/937987653.db2.gz MIYXTWWQPDFXLS-INIZCTEOSA-N 1 1 288.435 3.206 20 30 CGEDMO C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)C(CC)CC ZINC001506558283 937990599 /nfs/dbraw/zinc/99/05/99/937990599.db2.gz LTNZQQSSIQSFFP-NVXWUHKLSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CC(CC)CC)CC1(C)C ZINC001506743416 937991765 /nfs/dbraw/zinc/99/17/65/937991765.db2.gz HIXKOPRNXKCQDG-OAHLLOKOSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCCC)C[C@H]21 ZINC001506813806 937992005 /nfs/dbraw/zinc/99/20/05/937992005.db2.gz OJVBMGYPQJZJPS-PHZGNYQRSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)CCC(=O)N1CC2(C1)CCC[N@H+](CC[C@H](C)F)C2 ZINC001506862980 937992091 /nfs/dbraw/zinc/99/20/91/937992091.db2.gz KFJGWGGEWPCTML-HNNXBMFYSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H](C)CCCC)C2)C1 ZINC001506862073 937992223 /nfs/dbraw/zinc/99/22/23/937992223.db2.gz IMLBOSGAUVLBPP-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C#CC[N@H+](C)C1CCN(C(=O)CCCC[C@@H](C)CC)CC1 ZINC001506958584 937993364 /nfs/dbraw/zinc/99/33/64/937993364.db2.gz IQBDMHJNTJCNSI-INIZCTEOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CCC[N@H+](CCCC)[C@@H]1C ZINC001507382739 937995469 /nfs/dbraw/zinc/99/54/69/937995469.db2.gz MTZCMIVFYPKDGV-HUUCEWRRSA-N 1 1 266.429 3.112 20 30 CGEDMO C=C/C(C)=C/CC(=O)N[C@@H]1CCC[N@@H+](CC(=C)C)[C@@H]1C ZINC001507381637 937995693 /nfs/dbraw/zinc/99/56/93/937995693.db2.gz JUENCULYWASLSX-BNSCMJDNSA-N 1 1 276.424 3.054 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C2CC(C)(C)C2)[C@H]1C ZINC001507375584 937995721 /nfs/dbraw/zinc/99/57/21/937995721.db2.gz WPXPMSVFKTXFOR-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)c1ccc(C)s1)C(C)C ZINC001507745724 937996745 /nfs/dbraw/zinc/99/67/45/937996745.db2.gz VSJAWTVSTHJJHY-UHFFFAOYSA-N 1 1 294.464 3.415 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)CC1CCCCC1)C(C)C ZINC001507757957 937996751 /nfs/dbraw/zinc/99/67/51/937996751.db2.gz NCBYHGWELPQLHW-UHFFFAOYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)c1sccc1F)C(C)C ZINC001507788417 937996891 /nfs/dbraw/zinc/99/68/91/937996891.db2.gz TVCLJXVBIULRPA-UHFFFAOYSA-N 1 1 298.427 3.246 20 30 CGEDMO CCCCCCCC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001530262598 938076816 /nfs/dbraw/zinc/07/68/16/938076816.db2.gz FQYHPNIQFBBAPL-HOTGVXAUSA-N 1 1 280.456 3.480 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)c1ccc(C(F)F)cc1 ZINC001556465929 938203895 /nfs/dbraw/zinc/20/38/95/938203895.db2.gz CCUNAOJQUWLSBC-UHFFFAOYSA-N 1 1 296.361 3.204 20 30 CGEDMO CC(C)[N@H+](Cc1ccco1)C[C@H](O)c1cccc(C#N)c1 ZINC001559506393 938227984 /nfs/dbraw/zinc/22/79/84/938227984.db2.gz ZREOKCGMDRKHCB-KRWDZBQOSA-N 1 1 284.359 3.095 20 30 CGEDMO C#CCOCC[N@H+]1CCCCC[C@H]1c1ccccc1 ZINC001559513538 938228343 /nfs/dbraw/zinc/22/83/43/938228343.db2.gz USQHBSLPHIXGQN-KRWDZBQOSA-N 1 1 257.377 3.254 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC001559727654 938233836 /nfs/dbraw/zinc/23/38/36/938233836.db2.gz ZCGNSIGRZQJXCI-INIZCTEOSA-N 1 1 295.471 3.273 20 30 CGEDMO CCc1ccccc1CC[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC001560060713 938242871 /nfs/dbraw/zinc/24/28/71/938242871.db2.gz UFTYRDWNJGIVME-SJORKVTESA-N 1 1 256.393 3.416 20 30 CGEDMO CC(C)(C)SCC[N@H+]1CCc2c(C#N)c(N)sc2C1 ZINC001560200666 938246716 /nfs/dbraw/zinc/24/67/16/938246716.db2.gz GBQAMTLGDNLFCN-UHFFFAOYSA-N 1 1 295.477 3.092 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1ccc2c(c1)OC(F)(F)O2 ZINC001560206390 938247120 /nfs/dbraw/zinc/24/71/20/938247120.db2.gz WVNUDPYQAIIADO-LLVKDONJSA-N 1 1 267.275 3.159 20 30 CGEDMO CC(C)[C@@H]1C[C@H](N2CCCC2)C[N@H+]1CCC(C)(C)C#N ZINC001560216862 938247461 /nfs/dbraw/zinc/24/74/61/938247461.db2.gz CFMWRIZMFSNISY-HOTGVXAUSA-N 1 1 277.456 3.121 20 30 CGEDMO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1CCC(C)(C)C#N ZINC001560216862 938247462 /nfs/dbraw/zinc/24/74/62/938247462.db2.gz CFMWRIZMFSNISY-HOTGVXAUSA-N 1 1 277.456 3.121 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@]2(CO)c2ccccc2)c1 ZINC001560231475 938248266 /nfs/dbraw/zinc/24/82/66/938248266.db2.gz UPIOWARNLVTVAQ-LJQANCHMSA-N 1 1 292.382 3.042 20 30 CGEDMO C=C(Br)C[N@H+]1CC=CC12CCCCC2 ZINC001560236580 938248438 /nfs/dbraw/zinc/24/84/38/938248438.db2.gz RNUOMBDLLOLUDP-UHFFFAOYSA-N 1 1 256.187 3.470 20 30 CGEDMO C#CC[N@@H+](Cc1ccc2nccnc2c1)C1CCCCC1 ZINC001560657754 938268798 /nfs/dbraw/zinc/26/87/98/938268798.db2.gz YGBBOLONZBFORG-UHFFFAOYSA-N 1 1 279.387 3.398 20 30 CGEDMO C=CCC[C@@H]([NH2+][C@H](C)CC1CCCC1)C(=O)OCC ZINC001560836785 938278771 /nfs/dbraw/zinc/27/87/71/938278771.db2.gz FJSIEZKBZKJMEK-UKRRQHHQSA-N 1 1 267.413 3.443 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccnn2-c2ccccc2C)C1 ZINC001560901194 938282915 /nfs/dbraw/zinc/28/29/15/938282915.db2.gz NMIVIJDVACJQJW-KRWDZBQOSA-N 1 1 293.414 3.416 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](C[C@H]2CCc3ccccc3C2)C1 ZINC001560906884 938283204 /nfs/dbraw/zinc/28/32/04/938283204.db2.gz WEDJXEYJBWAINN-CVEARBPZSA-N 1 1 253.389 3.137 20 30 CGEDMO C#CCC[N@H+](CCOC)C[C@H]1CCC[C@@H](CC)C1 ZINC001560945874 938285734 /nfs/dbraw/zinc/28/57/34/938285734.db2.gz MFXULUFNOIXEND-CVEARBPZSA-N 1 1 251.414 3.175 20 30 CGEDMO COc1c(Cl)cccc1C[NH2+]CC#Cc1ccccc1 ZINC001561027677 938290296 /nfs/dbraw/zinc/29/02/96/938290296.db2.gz MNCBNERCTYQLGB-UHFFFAOYSA-N 1 1 285.774 3.490 20 30 CGEDMO C=CCCCCNC(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001563736307 938304688 /nfs/dbraw/zinc/30/46/88/938304688.db2.gz SLLBZYHRDLBYHD-OWCLPIDISA-N 1 1 295.471 3.008 20 30 CGEDMO C#CCOc1ccccc1C[NH2+]Cc1ncc(C)cc1C ZINC000922745254 957839099 /nfs/dbraw/zinc/83/90/99/957839099.db2.gz RHWAVHFTIDAYOF-UHFFFAOYSA-N 1 1 280.371 3.000 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)c1occc1Cl ZINC001317432477 960432478 /nfs/dbraw/zinc/43/24/78/960432478.db2.gz AGOXAMMUUONMEL-GFCCVEGCSA-N 1 1 296.798 3.093 20 30 CGEDMO C=C(C)C[N@H+](C)CCCNC(=O)C[C@H](C)CC(C)(C)C ZINC001566494927 960559892 /nfs/dbraw/zinc/55/98/92/960559892.db2.gz ZNKOXZHDASSPFS-HNNXBMFYSA-N 1 1 282.472 3.463 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)C(C)(C)C=C)C1 ZINC001566626427 960567406 /nfs/dbraw/zinc/56/74/06/960567406.db2.gz MDUFTERZZJQMIR-GJZGRUSLSA-N 1 1 278.440 3.134 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](CCCC)C(C)C)C1 ZINC001567928137 960603348 /nfs/dbraw/zinc/60/33/48/960603348.db2.gz CBRDFHVEVSRFIE-SJORKVTESA-N 1 1 292.467 3.005 20 30 CGEDMO C=CC[C@@H]1CCCC[C@@H]1NC(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC001565063629 960734380 /nfs/dbraw/zinc/73/43/80/960734380.db2.gz QREWCZQLOQOUCW-OAGGEKHMSA-N 1 1 295.471 3.149 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)c2coc(C)c2)[C@H]1CC ZINC001566010664 960866504 /nfs/dbraw/zinc/86/65/04/960866504.db2.gz NDSIIILYSVCKCY-JKSUJKDBSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@H+](CC/C=C/CC)[C@@H]1C ZINC001566090597 960879718 /nfs/dbraw/zinc/87/97/18/960879718.db2.gz TVPPPAQSTKXEIS-ZWOPJXCPSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@](C)(CC)CCC)[C@H]1C ZINC001566108117 960883243 /nfs/dbraw/zinc/88/32/43/960883243.db2.gz KPOYUXGPHSXETH-VYDXJSESSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCCNC(=O)c1ccc(Cl)[nH]1 ZINC001566564647 960949918 /nfs/dbraw/zinc/94/99/18/960949918.db2.gz GNRZAAKUSWMBBD-UHFFFAOYSA-N 1 1 297.830 3.076 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)c1ccsc1C)C1CC1 ZINC001566586101 960961740 /nfs/dbraw/zinc/96/17/40/960961740.db2.gz CDYWWMWTOAEKFV-UHFFFAOYSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CC[N@@H+](CC)CCCNC(=O)c1cc(C(C)C)oc1C ZINC001566571042 960962065 /nfs/dbraw/zinc/96/20/65/960962065.db2.gz YCXBZRXCOFVMNN-UHFFFAOYSA-N 1 1 292.423 3.339 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)C2CC=CC2)C1 ZINC001566736288 960993959 /nfs/dbraw/zinc/99/39/59/960993959.db2.gz SSKAUXFOOJJBRR-INIZCTEOSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(CCC)CC1 ZINC001566755579 961004597 /nfs/dbraw/zinc/00/45/97/961004597.db2.gz LOQRNKFCGJBYKY-IYBDPMFKSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccsc1 ZINC001566915064 961048311 /nfs/dbraw/zinc/04/83/11/961048311.db2.gz KLMMFMFROZMOHG-OAHLLOKOSA-N 1 1 292.448 3.299 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H]1CCCC[N@@H+]1C[C@H](C)CC ZINC001566921441 961055266 /nfs/dbraw/zinc/05/52/66/961055266.db2.gz MTZXLXLBGVJVRT-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO CC[C@@H](C)C[N@@H+](C)[C@H]1CCCN(C(=O)C#CC(C)(C)C)C1 ZINC001567191479 961131001 /nfs/dbraw/zinc/13/10/01/961131001.db2.gz IPUYXSZXUQPWJV-CVEARBPZSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@](C)(F)CCCC)C1 ZINC001567196029 961140664 /nfs/dbraw/zinc/14/06/64/961140664.db2.gz WBPSHXVKOUXVCL-GDBMZVCRSA-N 1 1 284.419 3.014 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)CCCCCC)C1 ZINC001567203551 961143314 /nfs/dbraw/zinc/14/33/14/961143314.db2.gz XKGUKTJKMHAGLA-INIZCTEOSA-N 1 1 280.456 3.456 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)CC2(C)CC2)C1 ZINC001567195091 961143444 /nfs/dbraw/zinc/14/34/44/961143444.db2.gz IBCXPKRLMTVCGY-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCCC[C@H]1CCC[N@@H+]1CCC ZINC001567260964 961156085 /nfs/dbraw/zinc/15/60/85/961156085.db2.gz FIGCYXMRCAAIRC-DOTOQJQBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCC1(C)C ZINC001567257890 961158576 /nfs/dbraw/zinc/15/85/76/961158576.db2.gz SAJITPFDRNRWOD-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC[N@@H+](C)CCCC1CCC1 ZINC001567297542 961260076 /nfs/dbraw/zinc/26/00/76/961260076.db2.gz YJJSZHCLCPBPPF-UHFFFAOYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCNC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C ZINC001567291008 961262430 /nfs/dbraw/zinc/26/24/30/961262430.db2.gz BIXGSFDNHUHSLY-JKSUJKDBSA-N 1 1 292.467 3.239 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)c1ccc(Cl)s1 ZINC001567353196 961296729 /nfs/dbraw/zinc/29/67/29/961296729.db2.gz XKGGEKSIVGGALG-UHFFFAOYSA-N 1 1 286.828 3.029 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](CNC(=O)C[C@H](CC)CCCC)C1 ZINC001567406795 961321176 /nfs/dbraw/zinc/32/11/76/961321176.db2.gz XBVGWYVLNUFRTM-IAGOWNOFSA-N 1 1 292.467 3.054 20 30 CGEDMO C=C(C)CC[N@@H+](CCC)CCNC(=O)c1occc1Cl ZINC001567429995 961337040 /nfs/dbraw/zinc/33/70/40/961337040.db2.gz JXVGGZIEPHYZQB-UHFFFAOYSA-N 1 1 298.814 3.341 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)C(C)=C2CCC2)C1 ZINC001567681066 961394730 /nfs/dbraw/zinc/39/47/30/961394730.db2.gz BRMUHRSIONQASA-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(CCC)C(=O)C2CC2)C1 ZINC001567678264 961398795 /nfs/dbraw/zinc/39/87/95/961398795.db2.gz OKDFYLWTKNCSBD-GDBMZVCRSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](CCNC(=O)CC2(C)CCCCC2)C1 ZINC001567703588 961405372 /nfs/dbraw/zinc/40/53/72/961405372.db2.gz WLKPCWVAWHDSIG-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CC[N@H+](C)CC1CCN(C(=O)C[C@@H](CC)C(C)C)CC1 ZINC001567752548 961423226 /nfs/dbraw/zinc/42/32/26/961423226.db2.gz XMSUQDSLVNXAAX-QGZVFWFLSA-N 1 1 294.483 3.415 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)[C@H]2CC23CCCC3)C1 ZINC001567812052 961431640 /nfs/dbraw/zinc/43/16/40/961431640.db2.gz WJWHHXFECFXNMC-MRXNPFEDSA-N 1 1 292.467 3.338 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)c2ccc(C)cc2)C1 ZINC001567815361 961438142 /nfs/dbraw/zinc/43/81/42/961438142.db2.gz LGLQIQHHUODJEH-UHFFFAOYSA-N 1 1 288.435 3.379 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)C2(CC)CCCCC2)C1 ZINC001567928124 961465913 /nfs/dbraw/zinc/46/59/13/961465913.db2.gz BVQXKYNRURWJRI-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@H]1C[C@@]1(C)C(C)C ZINC001568500304 961595868 /nfs/dbraw/zinc/59/58/68/961595868.db2.gz IVZXWXXFHXUVNG-WBVHZDCISA-N 1 1 280.456 3.025 20 30 CGEDMO C=CCC1(C(=O)N[C@@H](C)C[N@H+](C)CCC(C)C)CCC1 ZINC001569136586 961700861 /nfs/dbraw/zinc/70/08/61/961700861.db2.gz VLFOVSCBMLEWHP-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)[C@@]1(C)CC=C(C)CC1 ZINC001569151686 961714175 /nfs/dbraw/zinc/71/41/75/961714175.db2.gz MZUMQLSORXWYHN-WBVHZDCISA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@](C)(CC)CCC)C2)C1 ZINC001569477980 961773966 /nfs/dbraw/zinc/77/39/66/961773966.db2.gz DOURKHGRCMMWPR-ZWKOTPCHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](C)CC)C2)C1 ZINC001569464118 961780883 /nfs/dbraw/zinc/78/08/83/961780883.db2.gz HSGIHTDHLVZEOT-AEFFLSMTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)CCCF)C2)C1 ZINC001569478788 961781997 /nfs/dbraw/zinc/78/19/97/961781997.db2.gz WLIZAEMFXHHXGP-NVXWUHKLSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC=C(C)C ZINC001569618535 961803690 /nfs/dbraw/zinc/80/36/90/961803690.db2.gz FOBJCINEAXZSQN-SJORKVTESA-N 1 1 290.451 3.374 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001569646372 961806158 /nfs/dbraw/zinc/80/61/58/961806158.db2.gz JAKNVVCTPDWQGJ-MAUKXSAKSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@](C)(CNC(=O)C2(F)CCCCC2)C1 ZINC001569723361 961839527 /nfs/dbraw/zinc/83/95/27/961839527.db2.gz FTUNSMQUEYAKRR-MRXNPFEDSA-N 1 1 296.430 3.063 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)C[C@@H](C)C2CC2)C1 ZINC001569725660 961840574 /nfs/dbraw/zinc/84/05/74/961840574.db2.gz DNYHPWXZVOEVCI-QAPCUYQASA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2CCCN(C(=O)C3CCC3)[C@@H]2C1 ZINC001569917435 961875310 /nfs/dbraw/zinc/87/53/10/961875310.db2.gz QXIGRBRCPPUIHA-BHYGNILZSA-N 1 1 290.451 3.064 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC)CCCC)CC1 ZINC001570171608 961911704 /nfs/dbraw/zinc/91/17/04/961911704.db2.gz YURJQUAZRSFGMY-IRXDYDNUSA-N 1 1 292.467 3.197 20 30 CGEDMO CCCCC[N@H+]1CCC[C@@H](NC(=O)C#CC(C)(C)C)CC1 ZINC001570175434 961912121 /nfs/dbraw/zinc/91/21/21/961912121.db2.gz VDGQRTYYLLXINU-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)c1cc(C)oc1C ZINC001570190713 961920085 /nfs/dbraw/zinc/92/00/85/961920085.db2.gz UXSIKBYSCLGZPS-UHFFFAOYSA-N 1 1 298.814 3.043 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCN(C)C(=O)c1cc(C)oc1C ZINC001570190713 961920099 /nfs/dbraw/zinc/92/00/99/961920099.db2.gz UXSIKBYSCLGZPS-UHFFFAOYSA-N 1 1 298.814 3.043 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](C[C@H](C)CC)CC1 ZINC001570182008 961924101 /nfs/dbraw/zinc/92/41/01/961924101.db2.gz UUWVHGWYTHLJPM-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)CCCCC(C)C)CC1 ZINC001570185177 961927033 /nfs/dbraw/zinc/92/70/33/961927033.db2.gz GKTDQACSQDABOC-KRWDZBQOSA-N 1 1 292.467 3.197 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](CC)CC(C)C)CC1 ZINC001570185534 961928444 /nfs/dbraw/zinc/92/84/44/961928444.db2.gz NCUBHSNQQLFAQZ-SJORKVTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C/C=C(\C)C=C)CC1 ZINC001570182305 961929019 /nfs/dbraw/zinc/92/90/19/961929019.db2.gz ZTVASDMDBNVVPP-KGZWWPETSA-N 1 1 290.451 3.446 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](CCC(=C)C)[C@H](C)C1 ZINC001570440190 961965379 /nfs/dbraw/zinc/96/53/79/961965379.db2.gz JDQXTXPLPXHMRW-CABCVRRESA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C1(F)CCCC1 ZINC001570720665 962055123 /nfs/dbraw/zinc/05/51/23/962055123.db2.gz XLNVRZXUUPFIFT-KBPBESRZSA-N 1 1 284.419 3.060 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1C ZINC001570728237 962058322 /nfs/dbraw/zinc/05/83/22/962058322.db2.gz LHDYADDAFRWDRE-OAHLLOKOSA-N 1 1 288.435 3.144 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)c1sc(C)cc1C ZINC001570713945 962065738 /nfs/dbraw/zinc/06/57/38/962065738.db2.gz DQLCXUCDVXZTRQ-CYBMUJFWSA-N 1 1 294.464 3.381 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)CNC(=O)c1cccc(C(C)(C)C)c1 ZINC001570743812 962068115 /nfs/dbraw/zinc/06/81/15/962068115.db2.gz HIGBODQCGNDGLM-AWEZNQCLSA-N 1 1 288.435 3.220 20 30 CGEDMO C=CCCC[N@H+]1CCCCC[C@H]1CNC(=O)CC1CC1 ZINC001570815376 962090388 /nfs/dbraw/zinc/09/03/88/962090388.db2.gz BFEYVXFQPUARFR-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[N@H+](CCC(=C)C)CC1(C)C ZINC001570896645 962105152 /nfs/dbraw/zinc/10/51/52/962105152.db2.gz HOJPSDACYONGCQ-OAHLLOKOSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[C@H](C)CC(C)C)C(C)(C)C1 ZINC001570907464 962109327 /nfs/dbraw/zinc/10/93/27/962109327.db2.gz HDWCLGVBTHSZHV-HZPDHXFCSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](CC)CCC)C[C@@]2(C)C1 ZINC001571064478 962117012 /nfs/dbraw/zinc/11/70/12/962117012.db2.gz PXDPQEKAWDLGHC-RYQLBKOJSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC2(CN(C(=O)/C=C(/C)CC)C2)C1 ZINC001571035757 962121346 /nfs/dbraw/zinc/12/13/46/962121346.db2.gz LKBGYAXIKQYTMM-JYRVWZFOSA-N 1 1 296.842 3.020 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC2(CN(C(=O)/C=C(/C)CC)C2)C1 ZINC001571035757 962121357 /nfs/dbraw/zinc/12/13/57/962121357.db2.gz LKBGYAXIKQYTMM-JYRVWZFOSA-N 1 1 296.842 3.020 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCC1=CC[N@@H+](C[C@@H](F)CC)CC1 ZINC001571694266 962214764 /nfs/dbraw/zinc/21/47/64/962214764.db2.gz CSWWLYKVIQVZHH-RDJZCZTQSA-N 1 1 296.430 3.085 20 30 CGEDMO C#CCN(CC[C@H]1C[C@H](C)C[C@H](C)C1)C1CC[NH2+]CC1 ZINC001574667132 962313916 /nfs/dbraw/zinc/31/39/16/962313916.db2.gz NBQYUZKAXUFHSY-FVQHAEBGSA-N 1 1 276.468 3.136 20 30 CGEDMO C=C(C)c1cccc(NC(=O)c2nc(C[NH3+])sc2C)c1 ZINC001574849508 962322860 /nfs/dbraw/zinc/32/28/60/962322860.db2.gz NYVVWSKPBVTLLE-UHFFFAOYSA-N 1 1 287.388 3.196 20 30 CGEDMO C[C@@H](c1ccncc1)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000127634186 187323108 /nfs/dbraw/zinc/32/31/08/187323108.db2.gz KIDCLIAUDQRWGT-AWEZNQCLSA-N 1 1 281.359 3.025 20 30 CGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCC(C)(C)CC1 ZINC000124650578 187147270 /nfs/dbraw/zinc/14/72/70/187147270.db2.gz XLUYADCQVBOADQ-AWEZNQCLSA-N 1 1 299.418 3.397 20 30 CGEDMO COc1ccc(C[N@@H+](C)Cc2ccc(OC)c(C#N)c2)cc1 ZINC000125017844 187166014 /nfs/dbraw/zinc/16/60/14/187166014.db2.gz LUMZPRKDRDEDIT-UHFFFAOYSA-N 1 1 296.370 3.207 20 30 CGEDMO C=CC[C@H]1CC[C@H]([NH2+]C2CCN(C3CCC3)CC2)C1 ZINC000651688631 398269635 /nfs/dbraw/zinc/26/96/35/398269635.db2.gz RKYRTJPQNFCQEX-HOCLYGCPSA-N 1 1 262.441 3.338 20 30 CGEDMO C[C@@H]1CCN(Cc2ccccc2)CC[N@H+]1[C@@H]1CC[C@H](C#N)C1 ZINC000590162497 346833338 /nfs/dbraw/zinc/83/33/38/346833338.db2.gz SUPVXCSZMRDSRU-NZSAHSFTSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1[C@@H]1CC[C@H](C#N)C1 ZINC000590162497 346833340 /nfs/dbraw/zinc/83/33/40/346833340.db2.gz SUPVXCSZMRDSRU-NZSAHSFTSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1[C@@H]1CC[C@H](C#N)C1 ZINC000590162497 346833343 /nfs/dbraw/zinc/83/33/43/346833343.db2.gz SUPVXCSZMRDSRU-NZSAHSFTSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1CN(c2ccccc2F)CC[N@H+]1[C@H]1CC[C@H](C#N)C1 ZINC000590176910 346835107 /nfs/dbraw/zinc/83/51/07/346835107.db2.gz KPWDNPSGCJNEMZ-ILXRZTDVSA-N 1 1 287.382 3.028 20 30 CGEDMO C=CC[C@@H]1CC[C@H]([NH2+]C2CCN(CCC)CC2)C1 ZINC000651749776 398281954 /nfs/dbraw/zinc/28/19/54/398281954.db2.gz JRHJGCGZFWCUIP-ZBFHGGJFSA-N 1 1 250.430 3.195 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@H](CCC(=O)OCC)C1 ZINC000590708833 346866230 /nfs/dbraw/zinc/86/62/30/346866230.db2.gz ZCUTZYKHTQYPIG-OAHLLOKOSA-N 1 1 267.413 3.398 20 30 CGEDMO CCC(CC)C[N@H+](CCC#N)[C@H]1CCCN(C(C)C)C1=O ZINC000192611007 282162405 /nfs/dbraw/zinc/16/24/05/282162405.db2.gz NOQKWBFJZRRFOP-INIZCTEOSA-N 1 1 293.455 3.038 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)[C@H]1CCCN(C(C)C)C1=O ZINC000192611007 282162406 /nfs/dbraw/zinc/16/24/06/282162406.db2.gz NOQKWBFJZRRFOP-INIZCTEOSA-N 1 1 293.455 3.038 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2C[C@H](C)OCC23CCC3)cc1 ZINC000651975330 398314500 /nfs/dbraw/zinc/31/45/00/398314500.db2.gz AFAXIJFNSLWPSQ-HNNXBMFYSA-N 1 1 287.403 3.395 20 30 CGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](C2CCC2)C1 ZINC000591061833 346897364 /nfs/dbraw/zinc/89/73/64/346897364.db2.gz KEERLHKKQNYVLP-BBRMVZONSA-N 1 1 297.402 3.007 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000591063408 346898127 /nfs/dbraw/zinc/89/81/27/346898127.db2.gz XGLDQZMEMZWSLR-QGZVFWFLSA-N 1 1 254.377 3.489 20 30 CGEDMO Cc1cc(N(Cc2ccc(C#N)cc2)C2CC2)nc(C)[nH+]1 ZINC000273152121 192058859 /nfs/dbraw/zinc/05/88/59/192058859.db2.gz MBKOFMQEPWIGCL-UHFFFAOYSA-N 1 1 278.359 3.134 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+]([C@@H](C)[C@@H](C)CC)C1CC1 ZINC000591474403 346925599 /nfs/dbraw/zinc/92/55/99/346925599.db2.gz CEZZVAZSUOTIGK-GJZGRUSLSA-N 1 1 280.456 3.310 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H](C[NH3+])C1CCCCC1 ZINC000591576964 346929367 /nfs/dbraw/zinc/92/93/67/346929367.db2.gz MNYAQTAVLGIYDZ-RBUKOAKNSA-N 1 1 297.446 3.433 20 30 CGEDMO N#Cc1ccc(CNc2[nH]c3ccccc3[nH+]2)c(F)c1 ZINC000083483519 178510896 /nfs/dbraw/zinc/51/08/96/178510896.db2.gz SJVUQVJDTJJTGB-UHFFFAOYSA-N 1 1 266.279 3.186 20 30 CGEDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000439440829 529709768 /nfs/dbraw/zinc/70/97/68/529709768.db2.gz QTMOYQQRFJVRTK-HOTGVXAUSA-N 1 1 292.810 3.337 20 30 CGEDMO CCc1nc(C)c(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)o1 ZINC000426326760 529725831 /nfs/dbraw/zinc/72/58/31/529725831.db2.gz ZNHSTESOGCKCLN-OAHLLOKOSA-N 1 1 281.359 3.194 20 30 CGEDMO N#Cc1cnccc1C[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000592071020 346960164 /nfs/dbraw/zinc/96/01/64/346960164.db2.gz XPEXBEXRNFKABG-AWEZNQCLSA-N 1 1 281.334 3.082 20 30 CGEDMO N#Cc1cnccc1C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000592071020 346960169 /nfs/dbraw/zinc/96/01/69/346960169.db2.gz XPEXBEXRNFKABG-AWEZNQCLSA-N 1 1 281.334 3.082 20 30 CGEDMO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cc1ccncc1C#N ZINC000592071211 346960282 /nfs/dbraw/zinc/96/02/82/346960282.db2.gz CNMRUUWJCFBDHJ-NVXWUHKLSA-N 1 1 291.398 3.406 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1sccc1C#N)CCC(C)(C)C ZINC000592144187 346966728 /nfs/dbraw/zinc/96/67/28/346966728.db2.gz BKXNMYORDFMVQT-UHFFFAOYSA-N 1 1 293.436 3.316 20 30 CGEDMO N#CC[C@@]1(O)CC[N@H+](C2c3ccccc3-c3ccccc32)C1 ZINC000592149630 346967111 /nfs/dbraw/zinc/96/71/11/346967111.db2.gz SLULCDILMZDGKF-LJQANCHMSA-N 1 1 290.366 3.107 20 30 CGEDMO C[N@@H+](CCCCNc1c(Cl)cccc1C#N)C1CC1 ZINC000413346407 529883804 /nfs/dbraw/zinc/88/38/04/529883804.db2.gz HVXKXPSBOOSPRN-UHFFFAOYSA-N 1 1 277.799 3.498 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2nc(C#N)cs2)CCc2ccccc21 ZINC000593093074 347038238 /nfs/dbraw/zinc/03/82/38/347038238.db2.gz XMLNCPNDGYPGJW-LBPRGKRZSA-N 1 1 283.400 3.177 20 30 CGEDMO Cc1cc(C[N@H+]2C[C@H](C)OCC23CCC3)ccc1C#N ZINC000593092075 347038265 /nfs/dbraw/zinc/03/82/65/347038265.db2.gz MIORRKXYLJOXNS-AWEZNQCLSA-N 1 1 270.376 3.010 20 30 CGEDMO Cc1cc(C[N@@H+]2C[C@H](C)OCC23CCC3)ccc1C#N ZINC000593092075 347038270 /nfs/dbraw/zinc/03/82/70/347038270.db2.gz MIORRKXYLJOXNS-AWEZNQCLSA-N 1 1 270.376 3.010 20 30 CGEDMO CCn1cc(C[N@@H+](Cc2ccc(CC#N)cc2)C(C)C)cn1 ZINC000593082259 347037702 /nfs/dbraw/zinc/03/77/02/347037702.db2.gz VBKBNRNJKPYXLD-UHFFFAOYSA-N 1 1 296.418 3.380 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593118705 347042283 /nfs/dbraw/zinc/04/22/83/347042283.db2.gz RJMIJANRAGDWCN-FZMZJTMJSA-N 1 1 262.303 3.350 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)C2(CCC2)CO1 ZINC000593091348 347038727 /nfs/dbraw/zinc/03/87/27/347038727.db2.gz GQAHOLIBSHHPSP-CQSZACIVSA-N 1 1 264.413 3.350 20 30 CGEDMO C[N@H+](Cc1cccc(F)c1C#N)C[C@H]1CC=CCC1 ZINC000428348918 529995174 /nfs/dbraw/zinc/99/51/74/529995174.db2.gz QFOJQVZGOJHRAJ-ZDUSSCGKSA-N 1 1 258.340 3.485 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@@H](C)c1cccs1 ZINC000053429646 345120780 /nfs/dbraw/zinc/12/07/80/345120780.db2.gz WBVBWUVXVGSXCI-ZDUSSCGKSA-N 1 1 280.437 3.166 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@@H](C)c1cccs1 ZINC000053429646 345120784 /nfs/dbraw/zinc/12/07/84/345120784.db2.gz WBVBWUVXVGSXCI-ZDUSSCGKSA-N 1 1 280.437 3.166 20 30 CGEDMO C=CC[NH+]1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000052723541 345106711 /nfs/dbraw/zinc/10/67/11/345106711.db2.gz IYVAQHXXSNDDEA-UHFFFAOYSA-N 1 1 284.325 3.009 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(-n2cccn2)cc1 ZINC000052636249 345106803 /nfs/dbraw/zinc/10/68/03/345106803.db2.gz DJZKPGDCSXQTJS-UHFFFAOYSA-N 1 1 255.365 3.270 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1csc(Br)c1 ZINC000054183489 345130033 /nfs/dbraw/zinc/13/00/33/345130033.db2.gz GTIDIKDINNFOPL-VIFPVBQESA-N 1 1 273.199 3.292 20 30 CGEDMO CC(C)(C)C[C@@H]1CCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000060889887 345224002 /nfs/dbraw/zinc/22/40/02/345224002.db2.gz RRAQNMRZNMHXRS-INIZCTEOSA-N 1 1 299.418 3.397 20 30 CGEDMO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1CCCCC#N ZINC000060366497 345214633 /nfs/dbraw/zinc/21/46/33/345214633.db2.gz OOVXFPDDFWXKTI-AWEZNQCLSA-N 1 1 295.427 3.059 20 30 CGEDMO CCC(CC)[N@@H+](CCOC)Cc1cn2ccccc2c1C#N ZINC000064805989 345265370 /nfs/dbraw/zinc/26/53/70/345265370.db2.gz DPCJINJJRZPMOE-UHFFFAOYSA-N 1 1 299.418 3.448 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000066560242 345299896 /nfs/dbraw/zinc/29/98/96/345299896.db2.gz GSNMHINUXMBFSD-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO COC(=O)[C@@H]([NH2+]CCCCC(C)(C)C#N)C1CCCCC1 ZINC000576457975 335205962 /nfs/dbraw/zinc/20/59/62/335205962.db2.gz OHEHCDQLHLWUNZ-HNNXBMFYSA-N 1 1 294.439 3.418 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)Cc1cccc(C)n1 ZINC000076121153 345534667 /nfs/dbraw/zinc/53/46/67/345534667.db2.gz WMAKTIFZXZMLHX-UHFFFAOYSA-N 1 1 250.345 3.025 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1cccc(C)n1 ZINC000076121153 345534669 /nfs/dbraw/zinc/53/46/69/345534669.db2.gz WMAKTIFZXZMLHX-UHFFFAOYSA-N 1 1 250.345 3.025 20 30 CGEDMO N#CCCC[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000076152597 345535984 /nfs/dbraw/zinc/53/59/84/345535984.db2.gz QKLAWZVSUNMMPN-HZPDHXFCSA-N 1 1 253.349 3.062 20 30 CGEDMO N#CCCC[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000076152597 345535986 /nfs/dbraw/zinc/53/59/86/345535986.db2.gz QKLAWZVSUNMMPN-HZPDHXFCSA-N 1 1 253.349 3.062 20 30 CGEDMO C=CCCC[N@H+](C)Cc1nc(-c2ccc(C)cc2)no1 ZINC000076736881 345548252 /nfs/dbraw/zinc/54/82/52/345548252.db2.gz SJSXCQMIEOCJGS-UHFFFAOYSA-N 1 1 271.364 3.443 20 30 CGEDMO CCCC[N@@H+](CC)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075593601 345514601 /nfs/dbraw/zinc/51/46/01/345514601.db2.gz DWCYMJDTQIJPTA-UHFFFAOYSA-N 1 1 284.363 3.230 20 30 CGEDMO CC(C)CC[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075643204 345517746 /nfs/dbraw/zinc/51/77/46/345517746.db2.gz VUIPZBPVFQIEBM-UHFFFAOYSA-N 1 1 284.363 3.086 20 30 CGEDMO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1cncc(F)c1 ZINC000090117287 345784147 /nfs/dbraw/zinc/78/41/47/345784147.db2.gz FPRCMYSSHIVGGC-SNVBAGLBSA-N 1 1 273.286 3.082 20 30 CGEDMO C=C(C)COc1cc(C[N@H+]2CC[C@H](C)C2)ccc1OC ZINC000092471693 345842186 /nfs/dbraw/zinc/84/21/86/345842186.db2.gz LVRIJGFMLLCVEC-AWEZNQCLSA-N 1 1 275.392 3.492 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@H](C)C2)cc1OC ZINC000092471454 345842271 /nfs/dbraw/zinc/84/22/71/345842271.db2.gz FRKYPYUWSGLTMQ-ZDUSSCGKSA-N 1 1 261.365 3.102 20 30 CGEDMO C=CCN(CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000130820885 346060922 /nfs/dbraw/zinc/06/09/22/346060922.db2.gz OWPCGVQFQUKWRY-RDJZCZTQSA-N 1 1 258.409 3.330 20 30 CGEDMO C=CC[N@@H+](CC)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000130820885 346060925 /nfs/dbraw/zinc/06/09/25/346060925.db2.gz OWPCGVQFQUKWRY-RDJZCZTQSA-N 1 1 258.409 3.330 20 30 CGEDMO C=CC[N@H+](CC)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000130820885 346060928 /nfs/dbraw/zinc/06/09/28/346060928.db2.gz OWPCGVQFQUKWRY-RDJZCZTQSA-N 1 1 258.409 3.330 20 30 CGEDMO CCC(CC)C[N@H+](CCC#N)CCc1c(C)noc1C ZINC000166249844 346186308 /nfs/dbraw/zinc/18/63/08/346186308.db2.gz IASHIPSOCGJRMO-UHFFFAOYSA-N 1 1 277.412 3.486 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)CCc1c(C)noc1C ZINC000166249844 346186311 /nfs/dbraw/zinc/18/63/11/346186311.db2.gz IASHIPSOCGJRMO-UHFFFAOYSA-N 1 1 277.412 3.486 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCCCC[C@@H]1C[C@@H](C)O ZINC000166431119 346186901 /nfs/dbraw/zinc/18/69/01/346186901.db2.gz UVLHAGGEDCOFDE-CRAIPNDOSA-N 1 1 286.419 3.382 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000190637532 346264609 /nfs/dbraw/zinc/26/46/09/346264609.db2.gz UDOJPWNCZJCUFM-UXLLHSPISA-N 1 1 280.456 3.073 20 30 CGEDMO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)C(=O)OC(C)(C)C)C1 ZINC000593584274 347092649 /nfs/dbraw/zinc/09/26/49/347092649.db2.gz ZWAIOBTUNPUNDD-YNEHKIRRSA-N 1 1 253.386 3.051 20 30 CGEDMO Cc1ccc(C[NH2+]CC2(C#N)CC2)cc1Br ZINC000309864271 346470574 /nfs/dbraw/zinc/47/05/74/346470574.db2.gz NTERATWPJMHUIL-UHFFFAOYSA-N 1 1 279.181 3.151 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000397687368 346584089 /nfs/dbraw/zinc/58/40/89/346584089.db2.gz VVGNDIOIOUXVQF-LLVKDONJSA-N 1 1 250.292 3.090 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000397687368 346584094 /nfs/dbraw/zinc/58/40/94/346584094.db2.gz VVGNDIOIOUXVQF-LLVKDONJSA-N 1 1 250.292 3.090 20 30 CGEDMO N#Cc1cnccc1C[N@H+]1CCC[C@@H]1CC1CCCC1 ZINC000594053394 347145632 /nfs/dbraw/zinc/14/56/32/347145632.db2.gz PAAOMSYPHWRVNH-QGZVFWFLSA-N 1 1 269.392 3.498 20 30 CGEDMO N#CC1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCCC1 ZINC000594607034 347202416 /nfs/dbraw/zinc/20/24/16/347202416.db2.gz QHWMMMYCMIQIFD-AWEZNQCLSA-N 1 1 285.347 3.256 20 30 CGEDMO COc1ccc2c(c1)C[N@H+](CC(C)(C)CCC#N)C2 ZINC000594616053 347204581 /nfs/dbraw/zinc/20/45/81/347204581.db2.gz XOXGIVDPNMSAQS-UHFFFAOYSA-N 1 1 258.365 3.341 20 30 CGEDMO CC[C@@H](CNCc1ccc(C2(C#N)CC2)cc1)[NH+]1CCCC1 ZINC000594915297 347228219 /nfs/dbraw/zinc/22/82/19/347228219.db2.gz RXZFOAVWYPQSQT-SFHVURJKSA-N 1 1 297.446 3.206 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1nccn1C ZINC000595001350 347252948 /nfs/dbraw/zinc/25/29/48/347252948.db2.gz SQIOEACWEUIWKR-ZDUSSCGKSA-N 1 1 282.391 3.072 20 30 CGEDMO CC(C)n1ccnc1C[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000594939175 347236190 /nfs/dbraw/zinc/23/61/90/347236190.db2.gz QJRQAHAQCGMZPV-MRXNPFEDSA-N 1 1 280.375 3.113 20 30 CGEDMO CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594950937 347239480 /nfs/dbraw/zinc/23/94/80/347239480.db2.gz VNHUBEZAXKFQAB-UHFFFAOYSA-N 1 1 299.462 3.309 20 30 CGEDMO CC(C)C[N@H+](C)CCCNCc1ccc(C2(C#N)CC2)cc1 ZINC000594950937 347239483 /nfs/dbraw/zinc/23/94/83/347239483.db2.gz VNHUBEZAXKFQAB-UHFFFAOYSA-N 1 1 299.462 3.309 20 30 CGEDMO CC(C)C[N@@H+](C)CCCNCc1ccc(C2(C#N)CC2)cc1 ZINC000594950937 347239486 /nfs/dbraw/zinc/23/94/86/347239486.db2.gz VNHUBEZAXKFQAB-UHFFFAOYSA-N 1 1 299.462 3.309 20 30 CGEDMO Cc1cc(CN[C@H]2CC[N@H+](C3CCCCC3)C2)ccc1C#N ZINC000594978997 347247765 /nfs/dbraw/zinc/24/77/65/347247765.db2.gz ZOQNLDQJZJYJQW-SFHVURJKSA-N 1 1 297.446 3.363 20 30 CGEDMO Cc1cc(C[NH2+][C@H]2CCN(C3CCCCC3)C2)ccc1C#N ZINC000594978997 347247767 /nfs/dbraw/zinc/24/77/67/347247767.db2.gz ZOQNLDQJZJYJQW-SFHVURJKSA-N 1 1 297.446 3.363 20 30 CGEDMO Cc1cc(C[NH2+]CC2(C#N)CCCCC2)ccc1C#N ZINC000594980799 347248104 /nfs/dbraw/zinc/24/81/04/347248104.db2.gz BDMBPSAQAJVGDM-UHFFFAOYSA-N 1 1 267.376 3.430 20 30 CGEDMO CCC(CC)[N@@H+](CCOC)CCc1ccc(C#N)cc1 ZINC000595307936 347290137 /nfs/dbraw/zinc/29/01/37/347290137.db2.gz NPIGTGIAMADWEG-UHFFFAOYSA-N 1 1 274.408 3.238 20 30 CGEDMO CO[C@H](C[N@H+](C[C@@H](C)C#N)C1CC1)C1CCCCC1 ZINC000595387246 347297930 /nfs/dbraw/zinc/29/79/30/347297930.db2.gz CQDPTBJPTIKHLU-XJKSGUPXSA-N 1 1 264.413 3.206 20 30 CGEDMO CO[C@H](C[N@@H+](C[C@@H](C)C#N)C1CC1)C1CCCCC1 ZINC000595387246 347297933 /nfs/dbraw/zinc/29/79/33/347297933.db2.gz CQDPTBJPTIKHLU-XJKSGUPXSA-N 1 1 264.413 3.206 20 30 CGEDMO COc1cccc(SCC[N@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000595390512 347297938 /nfs/dbraw/zinc/29/79/38/347297938.db2.gz XKPLZGAKZRGXQM-CYBMUJFWSA-N 1 1 290.432 3.411 20 30 CGEDMO COc1cccc(SCC[N@@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000595390512 347297940 /nfs/dbraw/zinc/29/79/40/347297940.db2.gz XKPLZGAKZRGXQM-CYBMUJFWSA-N 1 1 290.432 3.411 20 30 CGEDMO CC1(C)C[C@H]([N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)CO1 ZINC000595406190 347299409 /nfs/dbraw/zinc/29/94/09/347299409.db2.gz AHUQJZFUKULUBN-KRWDZBQOSA-N 1 1 282.387 3.215 20 30 CGEDMO CC1(C)C[C@@H]([N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)CO1 ZINC000595406191 347299446 /nfs/dbraw/zinc/29/94/46/347299446.db2.gz AHUQJZFUKULUBN-QGZVFWFLSA-N 1 1 282.387 3.215 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)cc1 ZINC000595418566 347300114 /nfs/dbraw/zinc/30/01/14/347300114.db2.gz CUMJTRKDVQWZOL-MOPGFXCFSA-N 1 1 298.430 3.239 20 30 CGEDMO COc1cc([C@H](C)[NH2+]CC2(C#N)CCCCC2)ccn1 ZINC000595089958 347280433 /nfs/dbraw/zinc/28/04/33/347280433.db2.gz ASATUZABUJSLOZ-ZDUSSCGKSA-N 1 1 273.380 3.215 20 30 CGEDMO COc1cc([C@@H](C)[NH2+]CC2(C#N)CCCCC2)ccn1 ZINC000595089957 347280609 /nfs/dbraw/zinc/28/06/09/347280609.db2.gz ASATUZABUJSLOZ-CYBMUJFWSA-N 1 1 273.380 3.215 20 30 CGEDMO CC[C@H](C)[N@@H+](CC)CCCC1(C#N)CCOCC1 ZINC000595598821 347323495 /nfs/dbraw/zinc/32/34/95/347323495.db2.gz HNDPQKVZMSNJEH-AWEZNQCLSA-N 1 1 252.402 3.207 20 30 CGEDMO CC[C@H](C)[N@@H+](CC)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000595598530 347323501 /nfs/dbraw/zinc/32/35/01/347323501.db2.gz FXNRVUPNXSJDNG-WMLDXEAASA-N 1 1 299.418 3.174 20 30 CGEDMO CC[C@H](C)[N@@H+](CC)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000595600208 347324349 /nfs/dbraw/zinc/32/43/49/347324349.db2.gz OALWOUCCBWUTNL-NSHDSACASA-N 1 1 293.798 3.271 20 30 CGEDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595609752 347326282 /nfs/dbraw/zinc/32/62/82/347326282.db2.gz ORGOEDXVXOAEOC-QWHCGFSZSA-N 1 1 273.336 3.281 20 30 CGEDMO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](CC#N)C1 ZINC000595613748 347327559 /nfs/dbraw/zinc/32/75/59/347327559.db2.gz GWSQSICBMOUYSE-CHWSQXEVSA-N 1 1 273.336 3.281 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000595619939 347328177 /nfs/dbraw/zinc/32/81/77/347328177.db2.gz HITYBPSKCCKBLX-QGZVFWFLSA-N 1 1 294.402 3.057 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000595622672 347329716 /nfs/dbraw/zinc/32/97/16/347329716.db2.gz CMCINGSEJWNDHM-HNNXBMFYSA-N 1 1 259.397 3.476 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](CCCSCCOC)C1 ZINC000595661608 347335724 /nfs/dbraw/zinc/33/57/24/347335724.db2.gz XQNYJMZMFSECJH-AWEZNQCLSA-N 1 1 257.443 3.044 20 30 CGEDMO C[C@H](CO)[C@@H]1CCCC[N@H+]1CCCCC(C)(C)C#N ZINC000595672003 347336373 /nfs/dbraw/zinc/33/63/73/347336373.db2.gz HEHDKKPTUHANOH-CABCVRRESA-N 1 1 266.429 3.189 20 30 CGEDMO C=CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C(C)(C)C ZINC000595764892 347352613 /nfs/dbraw/zinc/35/26/13/347352613.db2.gz GNMIIUNDDHKSDQ-UHFFFAOYSA-N 1 1 278.352 3.390 20 30 CGEDMO C=CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)C(C)(C)C ZINC000595764817 347352818 /nfs/dbraw/zinc/35/28/18/347352818.db2.gz DLNBQEKRLUXVPV-UHFFFAOYSA-N 1 1 278.352 3.390 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCC[C@H](c3ccncc3)C2)cc1 ZINC000595488541 347310780 /nfs/dbraw/zinc/31/07/80/347310780.db2.gz LOSUQAREZQFVHZ-IBGZPJMESA-N 1 1 291.398 3.375 20 30 CGEDMO N#Cc1ccc(CC[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc1 ZINC000595511000 347313734 /nfs/dbraw/zinc/31/37/34/347313734.db2.gz OBXFJJIQMYZUMV-GUDVDZBRSA-N 1 1 298.430 3.116 20 30 CGEDMO Cc1cc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)nc(C)n1 ZINC000595551922 347318039 /nfs/dbraw/zinc/31/80/39/347318039.db2.gz ZWFPMSNBWHNIPZ-CYBMUJFWSA-N 1 1 280.375 3.158 20 30 CGEDMO Cc1cc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)nc(C)n1 ZINC000595551922 347318043 /nfs/dbraw/zinc/31/80/43/347318043.db2.gz ZWFPMSNBWHNIPZ-CYBMUJFWSA-N 1 1 280.375 3.158 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](CC)C(=O)OC(C)(C)C ZINC000595845453 347367335 /nfs/dbraw/zinc/36/73/35/347367335.db2.gz OOKFJPJIROIWFF-MJBXVCDLSA-N 1 1 265.397 3.290 20 30 CGEDMO CC[N@@H+](CCOc1ccccc1OC)[C@H]1CC[C@@H](C#N)C1 ZINC000595884550 347370080 /nfs/dbraw/zinc/37/00/80/347370080.db2.gz HVABWGMSQQNBOV-CABCVRRESA-N 1 1 288.391 3.088 20 30 CGEDMO C[N@@H+](C[C@H](C#N)CCC#N)C[C@@H]1CCc2ccccc21 ZINC000595876087 347370181 /nfs/dbraw/zinc/37/01/81/347370181.db2.gz CTJOKORNMOWOBK-HOCLYGCPSA-N 1 1 267.376 3.092 20 30 CGEDMO Cc1cc(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)ccc1C#N ZINC000595907364 347370826 /nfs/dbraw/zinc/37/08/26/347370826.db2.gz AZHLAGGNUFGDMQ-KDURUIRLSA-N 1 1 296.414 3.259 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)nc1 ZINC000595917735 347372655 /nfs/dbraw/zinc/37/26/55/347372655.db2.gz SZIILAHDLSNBOB-HOCLYGCPSA-N 1 1 255.365 3.108 20 30 CGEDMO N#Cc1c(N[C@H]2CC[N@H+](C3CC3)C2)cccc1C(F)F ZINC000596091555 347382478 /nfs/dbraw/zinc/38/24/78/347382478.db2.gz NIFNOVXMNTWERK-JTQLQIEISA-N 1 1 277.318 3.144 20 30 CGEDMO C[C@H](C1CC1)[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596981408 347523940 /nfs/dbraw/zinc/52/39/40/347523940.db2.gz OHAOSOMXLPMVCV-CYBMUJFWSA-N 1 1 254.377 3.472 20 30 CGEDMO CC[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)C[C@@H](C)C#N ZINC000596992471 347525443 /nfs/dbraw/zinc/52/54/43/347525443.db2.gz SQENDIMKVVHTIC-AWEZNQCLSA-N 1 1 267.376 3.223 20 30 CGEDMO CC[N@H+](Cc1ccc(C2(C#N)CC2)cc1)C[C@@H](C)C#N ZINC000596992471 347525447 /nfs/dbraw/zinc/52/54/47/347525447.db2.gz SQENDIMKVVHTIC-AWEZNQCLSA-N 1 1 267.376 3.223 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@@H]1F ZINC000597076469 347533220 /nfs/dbraw/zinc/53/32/20/347533220.db2.gz OKTRKLIOQGBNFC-CJNGLKHVSA-N 1 1 272.367 3.422 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3CCC[C@H]3[C@@H]3CCCO3)cc2)CC1 ZINC000597121524 347537699 /nfs/dbraw/zinc/53/76/99/347537699.db2.gz OZLILXUESDSGKZ-ROUUACIJSA-N 1 1 296.414 3.385 20 30 CGEDMO C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)C1CCC(CO)CC1 ZINC000597133287 347539301 /nfs/dbraw/zinc/53/93/01/347539301.db2.gz QNOJLGXHCNTYGX-UHFFFAOYSA-N 1 1 298.430 3.225 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CC2(CCC2)O1 ZINC000597158331 347542743 /nfs/dbraw/zinc/54/27/43/347542743.db2.gz XGBPOILMPYSGTE-OAHLLOKOSA-N 1 1 296.414 3.385 20 30 CGEDMO CC(C)[C@H]1[N@@H+](C[C@@H](O)CC(C)(C)C#N)CC12CCCC2 ZINC000598707731 347681242 /nfs/dbraw/zinc/68/12/42/347681242.db2.gz ZMEGVFDMSBUWFT-LSDHHAIUSA-N 1 1 278.440 3.188 20 30 CGEDMO Cc1ccccc1[C@@H]1CCC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598585747 347667049 /nfs/dbraw/zinc/66/70/49/347667049.db2.gz KQALIAGKNMQROC-RDJZCZTQSA-N 1 1 286.419 3.433 20 30 CGEDMO CCC[N@H+](Cc1ccccc1F)C[C@H](O)CC(C)(C)C#N ZINC000598587920 347667724 /nfs/dbraw/zinc/66/77/24/347667724.db2.gz WGBMSKLEZDLFGS-OAHLLOKOSA-N 1 1 292.398 3.338 20 30 CGEDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598594225 347668238 /nfs/dbraw/zinc/66/82/38/347668238.db2.gz ZYLRFLIYYWHTQW-KKUMJFAQSA-N 1 1 266.429 3.188 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCCC[C@@H]1c1ccco1 ZINC000598593625 347668262 /nfs/dbraw/zinc/66/82/62/347668262.db2.gz VLGFKKYSQGIJPB-ZIAGYGMSSA-N 1 1 276.380 3.107 20 30 CGEDMO CCC[C@H](C)[C@H]1CCC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598594231 347668470 /nfs/dbraw/zinc/66/84/70/347668470.db2.gz ZYLRFLIYYWHTQW-SOUVJXGZSA-N 1 1 266.429 3.188 20 30 CGEDMO CC(C)(C)[C@@H]1CCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598611316 347671385 /nfs/dbraw/zinc/67/13/85/347671385.db2.gz MHXZLUNLNZGBRP-KGLIPLIRSA-N 1 1 266.429 3.045 20 30 CGEDMO Cc1ccccc1C[C@@H](C)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598613591 347671446 /nfs/dbraw/zinc/67/14/46/347671446.db2.gz KEEVYBNXRHOPDR-WBVHZDCISA-N 1 1 288.435 3.159 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCc2sc(Cl)cc2C1 ZINC000598625214 347672482 /nfs/dbraw/zinc/67/24/82/347672482.db2.gz NZWIGPJWLKMGDO-NSHDSACASA-N 1 1 298.839 3.060 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCc2sc(Cl)cc2C1 ZINC000598625214 347672484 /nfs/dbraw/zinc/67/24/84/347672484.db2.gz NZWIGPJWLKMGDO-NSHDSACASA-N 1 1 298.839 3.060 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCS[C@H](C)[C@H]2C)cc1C#N ZINC000599304048 347733308 /nfs/dbraw/zinc/73/33/08/347733308.db2.gz PKBNOTVFAFTWGN-CHWSQXEVSA-N 1 1 260.406 3.193 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)cc1C#N ZINC000599352584 347738168 /nfs/dbraw/zinc/73/81/68/347738168.db2.gz DHJOPPQHPICXPJ-IRXDYDNUSA-N 1 1 286.419 3.096 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1C#N ZINC000599430242 347743753 /nfs/dbraw/zinc/74/37/53/347743753.db2.gz XPHVOQISHAPKLJ-CABCVRRESA-N 1 1 276.330 3.344 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)cc1C#N ZINC000599449959 347746451 /nfs/dbraw/zinc/74/64/51/347746451.db2.gz IAUBYSFNBNWBDW-WMZOPIPTSA-N 1 1 284.403 3.258 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCCC(F)(F)CC2)c1F ZINC000599552569 347753374 /nfs/dbraw/zinc/75/33/74/347753374.db2.gz LAVFZTMLSRJGQF-UHFFFAOYSA-N 1 1 268.282 3.319 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCCC(F)(F)CC2)c1F ZINC000599552569 347753376 /nfs/dbraw/zinc/75/33/76/347753376.db2.gz LAVFZTMLSRJGQF-UHFFFAOYSA-N 1 1 268.282 3.319 20 30 CGEDMO C[C@@H]1C[N@@H+](CCC(C)(C)C#N)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599580889 347756119 /nfs/dbraw/zinc/75/61/19/347756119.db2.gz HFDFXHOFZIBQLO-KGLIPLIRSA-N 1 1 294.439 3.226 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1ccsc1C(F)(F)F ZINC000600143571 347783969 /nfs/dbraw/zinc/78/39/69/347783969.db2.gz DVDUJIGSRRUTTF-UHFFFAOYSA-N 1 1 262.300 3.406 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000600179809 347789628 /nfs/dbraw/zinc/78/96/28/347789628.db2.gz WPKSBHWTGBKBQB-CYBMUJFWSA-N 1 1 253.349 3.294 20 30 CGEDMO C[C@@H](CC(F)(F)F)[NH2+]Cc1cccc(F)c1C#N ZINC000602016687 347933296 /nfs/dbraw/zinc/93/32/96/347933296.db2.gz JNHIJJCKLCDJRV-QMMMGPOBSA-N 1 1 260.234 3.128 20 30 CGEDMO C[C@H](CC(F)(F)F)[NH2+]Cc1cccc(F)c1C#N ZINC000602016686 347933510 /nfs/dbraw/zinc/93/35/10/347933510.db2.gz JNHIJJCKLCDJRV-MRVPVSSYSA-N 1 1 260.234 3.128 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCCCC[C@H]2c2ccncc2)n1 ZINC000602427293 347956203 /nfs/dbraw/zinc/95/62/03/347956203.db2.gz DMVVSIDHHGJRNC-SFHVURJKSA-N 1 1 292.386 3.466 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCCN(Cc2ccccc2)CC1 ZINC000602429444 347956505 /nfs/dbraw/zinc/95/65/05/347956505.db2.gz DMYJWYKKPHBLCB-KRWDZBQOSA-N 1 1 285.435 3.134 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2c2ccsc2)n1 ZINC000602439829 347958036 /nfs/dbraw/zinc/95/80/36/347958036.db2.gz LJIIRXGQCLLGDI-OAHLLOKOSA-N 1 1 269.373 3.352 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]2c2ccsc2)n1 ZINC000602439829 347958038 /nfs/dbraw/zinc/95/80/38/347958038.db2.gz LJIIRXGQCLLGDI-OAHLLOKOSA-N 1 1 269.373 3.352 20 30 CGEDMO CC[C@](C)(C[N@@H+](Cc1ccc(C#N)cc1)C1CC1)OC ZINC000602442470 347959375 /nfs/dbraw/zinc/95/93/75/347959375.db2.gz YWRXYGRXPFEYRN-QGZVFWFLSA-N 1 1 272.392 3.338 20 30 CGEDMO C[C@H](c1cccs1)[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602443070 347959396 /nfs/dbraw/zinc/95/93/96/347959396.db2.gz QCQQDVXFDFXVST-LLVKDONJSA-N 1 1 257.362 3.208 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)n1 ZINC000602452184 347960091 /nfs/dbraw/zinc/96/00/91/347960091.db2.gz IMJVCAAWSGIBRR-SFHVURJKSA-N 1 1 295.361 3.299 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(=O)[nH]c1 ZINC000602480492 347965914 /nfs/dbraw/zinc/96/59/14/347965914.db2.gz CFTGBANDPWMCGI-SJORKVTESA-N 1 1 293.370 3.059 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000602483554 347967238 /nfs/dbraw/zinc/96/72/38/347967238.db2.gz MPSAMWGGNFVFOR-ARGWCVDVSA-N 1 1 292.448 3.357 20 30 CGEDMO CO[C@@](C)(C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1)C1CC1 ZINC000602492299 347969151 /nfs/dbraw/zinc/96/91/51/347969151.db2.gz GGKWLTLXQVEZIK-IBGZPJMESA-N 1 1 296.414 3.462 20 30 CGEDMO C[C@@H]1C[N@H+](CC2(CC#N)CC2)[C@@H](c2ccccc2)CO1 ZINC000602779149 348027520 /nfs/dbraw/zinc/02/75/20/348027520.db2.gz BLSIFQMKEIVJOW-GDBMZVCRSA-N 1 1 270.376 3.142 20 30 CGEDMO C[C@@H]1C[N@@H+](CC2(CC#N)CC2)[C@@H](c2ccccc2)CO1 ZINC000602779149 348027522 /nfs/dbraw/zinc/02/75/22/348027522.db2.gz BLSIFQMKEIVJOW-GDBMZVCRSA-N 1 1 270.376 3.142 20 30 CGEDMO CSc1cc(C)ccc1C[NH2+]Cc1cccc(C#N)n1 ZINC000602570900 347984992 /nfs/dbraw/zinc/98/49/92/347984992.db2.gz XZXVOKIAMUZKFH-UHFFFAOYSA-N 1 1 283.400 3.273 20 30 CGEDMO COc1ncc(C[NH2+][C@H](CCC#N)c2ccccc2)s1 ZINC000602581850 347987924 /nfs/dbraw/zinc/98/79/24/347987924.db2.gz LEMXNAHDFFTUQZ-CQSZACIVSA-N 1 1 287.388 3.286 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1Cc2ccccc2OC[C@@H]1C ZINC000602598714 347991171 /nfs/dbraw/zinc/99/11/71/347991171.db2.gz DUNHYCMEYMTNTC-KBPBESRZSA-N 1 1 258.365 3.209 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000602606324 347992152 /nfs/dbraw/zinc/99/21/52/347992152.db2.gz OXTSPPXSIBSADZ-HOTGVXAUSA-N 1 1 272.392 3.327 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000602608594 347993072 /nfs/dbraw/zinc/99/30/72/347993072.db2.gz PNXRCEWROWQGPN-CZUORRHYSA-N 1 1 276.355 3.219 20 30 CGEDMO COCC[N@@H+](C[C@H](C)CCC#N)[C@@H]1CC[C@H](C)C1 ZINC000602629846 347996741 /nfs/dbraw/zinc/99/67/41/347996741.db2.gz JRQKSCSDOIUNRG-RRFJBIMHSA-N 1 1 252.402 3.063 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C[C@H](C)c1ccccc1)[C@@H](C)CO ZINC000602667808 348004829 /nfs/dbraw/zinc/00/48/29/348004829.db2.gz TXQZELXZVLQBMZ-IKGGRYGDSA-N 1 1 288.435 3.413 20 30 CGEDMO COCCCCc1ccc[nH+]c1NC[C@@H](C)CCC#N ZINC000602671845 348005547 /nfs/dbraw/zinc/00/55/47/348005547.db2.gz LQFYWCOTOPZWLC-AWEZNQCLSA-N 1 1 275.396 3.402 20 30 CGEDMO CC[N@@H+](C[C@@H](C)CCC#N)[C@@H]1CCOC(C)(C)C1 ZINC000602672287 348005580 /nfs/dbraw/zinc/00/55/80/348005580.db2.gz WCWMOLIDUUYORJ-UONOGXRCSA-N 1 1 252.402 3.206 20 30 CGEDMO CC[N@@H+](C[C@H](C)CCC#N)[C@@H]1CCOC(C)(C)C1 ZINC000602672288 348005819 /nfs/dbraw/zinc/00/58/19/348005819.db2.gz WCWMOLIDUUYORJ-ZIAGYGMSSA-N 1 1 252.402 3.206 20 30 CGEDMO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602675289 348006770 /nfs/dbraw/zinc/00/67/70/348006770.db2.gz LNDGSKKCQNMQND-MNOVXSKESA-N 1 1 283.297 3.116 20 30 CGEDMO C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1cccc(C#N)n1 ZINC000602675289 348006773 /nfs/dbraw/zinc/00/67/73/348006773.db2.gz LNDGSKKCQNMQND-MNOVXSKESA-N 1 1 283.297 3.116 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCSC[C@@H]1C1CCC1 ZINC000602698130 348011980 /nfs/dbraw/zinc/01/19/80/348011980.db2.gz YELFEDRDVXPIQW-TZMCWYRMSA-N 1 1 252.427 3.144 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC[C@@H](O)C[C@@H]1c1ccccc1 ZINC000602730324 348019862 /nfs/dbraw/zinc/01/98/62/348019862.db2.gz FLFVCIYUPRTZDZ-DJIMGWMZSA-N 1 1 272.392 3.124 20 30 CGEDMO COc1ccc([C@H](C)[N@@H+](C)CC2(CC#N)CC2)cc1 ZINC000602758063 348024485 /nfs/dbraw/zinc/02/44/85/348024485.db2.gz ISUDEYKBFOOODD-ZDUSSCGKSA-N 1 1 258.365 3.382 20 30 CGEDMO Cc1cccnc1[C@@H]([NH2+]Cc1cccc(C#N)n1)C(C)C ZINC000602547271 347980019 /nfs/dbraw/zinc/98/00/19/347980019.db2.gz NCAPGFPYFMKMOY-INIZCTEOSA-N 1 1 280.375 3.144 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)C[C@H]1CCO[C@H]1C ZINC000602775809 348027374 /nfs/dbraw/zinc/02/73/74/348027374.db2.gz BEZHQCOSSUWLDN-DZGCQCFKSA-N 1 1 252.402 3.063 20 30 CGEDMO N#CCC1(C[N@H+](CCO)[C@@H]2CCCc3ccccc32)CC1 ZINC000602790662 348030733 /nfs/dbraw/zinc/03/07/33/348030733.db2.gz MGRPHEXTJCFFHD-QGZVFWFLSA-N 1 1 284.403 3.052 20 30 CGEDMO CC1(C)C[N@@H+](CC2(CC#N)CC2)CC2(CCCC2)O1 ZINC000602814003 348033288 /nfs/dbraw/zinc/03/32/88/348033288.db2.gz BEOSANBOCIWJID-UHFFFAOYSA-N 1 1 262.397 3.104 20 30 CGEDMO N#CCC1(C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)CC1 ZINC000602823317 348034218 /nfs/dbraw/zinc/03/42/18/348034218.db2.gz CPSWOOVVZRDQEE-OAHLLOKOSA-N 1 1 298.434 3.093 20 30 CGEDMO CC1(C)C[N@@H+](CC2(CC#N)CC2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000602823969 348034225 /nfs/dbraw/zinc/03/42/25/348034225.db2.gz FZLHULPGVPSJNC-VKJFTORMSA-N 1 1 288.435 3.350 20 30 CGEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@H+]2CC2(CC#N)CC2)C1 ZINC000602829749 348034488 /nfs/dbraw/zinc/03/44/88/348034488.db2.gz VJZCQZXPQXMTLN-NCOADZHNSA-N 1 1 290.451 3.332 20 30 CGEDMO C[C@@H]1C[N@H+](CC/C=C/c2ccccc2)C[C@H](C)N1CC#N ZINC000602848205 348036485 /nfs/dbraw/zinc/03/64/85/348036485.db2.gz FLXXFGSKXWHXRR-CHAYFFTQSA-N 1 1 283.419 3.008 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCC[C@H](c3cccnc3)C2)cc1 ZINC000602857726 348037223 /nfs/dbraw/zinc/03/72/23/348037223.db2.gz YMSCQINUJURZJT-IBGZPJMESA-N 1 1 291.398 3.375 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3cccnc3)C2)c(F)c1 ZINC000602857717 348037355 /nfs/dbraw/zinc/03/73/55/348037355.db2.gz YLIJHTJOSJQDAZ-INIZCTEOSA-N 1 1 295.361 3.472 20 30 CGEDMO C[N@H+](CCOc1ccccc1Cl)[C@H]1CCC[C@H]1C#N ZINC000602976981 348048973 /nfs/dbraw/zinc/04/89/73/348048973.db2.gz VYPBUNWOUINFBX-JSGCOSHPSA-N 1 1 278.783 3.343 20 30 CGEDMO C[N@@H+](CCOc1ccccc1Cl)[C@H]1CCC[C@H]1C#N ZINC000602976981 348048976 /nfs/dbraw/zinc/04/89/76/348048976.db2.gz VYPBUNWOUINFBX-JSGCOSHPSA-N 1 1 278.783 3.343 20 30 CGEDMO C[N@H+](CCOc1ccccc1Cl)[C@H]1CCC[C@@H]1C#N ZINC000602976982 348049459 /nfs/dbraw/zinc/04/94/59/348049459.db2.gz VYPBUNWOUINFBX-OCCSQVGLSA-N 1 1 278.783 3.343 20 30 CGEDMO C[N@@H+](CCOc1ccccc1Cl)[C@H]1CCC[C@@H]1C#N ZINC000602976982 348049460 /nfs/dbraw/zinc/04/94/60/348049460.db2.gz VYPBUNWOUINFBX-OCCSQVGLSA-N 1 1 278.783 3.343 20 30 CGEDMO CO[C@H](C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N)C1CCCCC1 ZINC000602981270 348051104 /nfs/dbraw/zinc/05/11/04/348051104.db2.gz AKNLSYWZFGFWSQ-BZUAXINKSA-N 1 1 264.413 3.206 20 30 CGEDMO C[N@H+](CCC1(C#N)CCCCC1)[C@@H]1CCC[C@@H]1C#N ZINC000602982601 348052035 /nfs/dbraw/zinc/05/20/35/348052035.db2.gz VEGAIWQXZZZISD-HUUCEWRRSA-N 1 1 259.397 3.475 20 30 CGEDMO C[N@@H+](CCC1(C#N)CCCCC1)[C@@H]1CCC[C@@H]1C#N ZINC000602982601 348052039 /nfs/dbraw/zinc/05/20/39/348052039.db2.gz VEGAIWQXZZZISD-HUUCEWRRSA-N 1 1 259.397 3.475 20 30 CGEDMO COc1ccc([C@H](C)C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000602982329 348052404 /nfs/dbraw/zinc/05/24/04/348052404.db2.gz QTYINGSGLBVHNP-FRFSOERESA-N 1 1 272.392 3.423 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000602997592 348053719 /nfs/dbraw/zinc/05/37/19/348053719.db2.gz NHXKQODKTFICDU-XHSDSOJGSA-N 1 1 278.440 3.332 20 30 CGEDMO C=CC[N@H+](CCC(=O)NCCCC)CC1CCCCC1 ZINC000604759182 348132070 /nfs/dbraw/zinc/13/20/70/348132070.db2.gz RFUKQRKFKCVCRY-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO CC#CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)C1CC1 ZINC000607727512 348258384 /nfs/dbraw/zinc/25/83/84/348258384.db2.gz NSNOTUPZMJQGCD-AWEZNQCLSA-N 1 1 257.377 3.319 20 30 CGEDMO N#CCC[N@@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000609144057 348337455 /nfs/dbraw/zinc/33/74/55/348337455.db2.gz CILXHXROBRPHIH-CQSZACIVSA-N 1 1 253.349 3.261 20 30 CGEDMO N#CCC[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000609144057 348337457 /nfs/dbraw/zinc/33/74/57/348337457.db2.gz CILXHXROBRPHIH-CQSZACIVSA-N 1 1 253.349 3.261 20 30 CGEDMO C[C@@H]([N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1)C(C)(C)C ZINC000610389754 348380836 /nfs/dbraw/zinc/38/08/36/348380836.db2.gz GMHIGAALAVNOGR-GFCCVEGCSA-N 1 1 298.390 3.475 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)CCN1CCCCC1 ZINC000609926663 348358684 /nfs/dbraw/zinc/35/86/84/348358684.db2.gz MOZYJMZUSPXFQU-HNNXBMFYSA-N 1 1 271.408 3.037 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CCN1CCCCC1 ZINC000609926663 348358688 /nfs/dbraw/zinc/35/86/88/348358688.db2.gz MOZYJMZUSPXFQU-HNNXBMFYSA-N 1 1 271.408 3.037 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)ccn1 ZINC000610991192 348414063 /nfs/dbraw/zinc/41/40/63/348414063.db2.gz BSQQPRUGZKVNLY-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)ccn1 ZINC000610991192 348414064 /nfs/dbraw/zinc/41/40/64/348414064.db2.gz BSQQPRUGZKVNLY-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO CC(C)([NH2+]Cc1ccccc1C#N)C(=O)Nc1ccccc1 ZINC000610662833 348394293 /nfs/dbraw/zinc/39/42/93/348394293.db2.gz ZNOARTCFEXVWAD-UHFFFAOYSA-N 1 1 293.370 3.065 20 30 CGEDMO CN(C(=O)C[N@@H+](C)CC(C)(C)CCC#N)C1CCCCC1 ZINC000611254502 348432148 /nfs/dbraw/zinc/43/21/48/348432148.db2.gz UZQLFGCCZFHZCD-UHFFFAOYSA-N 1 1 293.455 3.039 20 30 CGEDMO C=CC[N@H+](Cc1c[nH]c(-c2ccccc2)n1)C1CC1 ZINC000273374348 192130837 /nfs/dbraw/zinc/13/08/37/192130837.db2.gz FQTCJFBUVYNJGT-UHFFFAOYSA-N 1 1 253.349 3.227 20 30 CGEDMO C=CC[N@@H+](Cc1c[nH]c(-c2ccccc2)n1)C1CC1 ZINC000273374348 192130839 /nfs/dbraw/zinc/13/08/39/192130839.db2.gz FQTCJFBUVYNJGT-UHFFFAOYSA-N 1 1 253.349 3.227 20 30 CGEDMO C=CC[N@H+](Cc1cnc(-c2ccccc2)[nH]1)C1CC1 ZINC000273374348 192130840 /nfs/dbraw/zinc/13/08/40/192130840.db2.gz FQTCJFBUVYNJGT-UHFFFAOYSA-N 1 1 253.349 3.227 20 30 CGEDMO C=CC[N@@H+](Cc1cnc(-c2ccccc2)[nH]1)C1CC1 ZINC000273374348 192130842 /nfs/dbraw/zinc/13/08/42/192130842.db2.gz FQTCJFBUVYNJGT-UHFFFAOYSA-N 1 1 253.349 3.227 20 30 CGEDMO COCC[N@@H+](CCC#N)C[C@H]1CCCC(C)(C)C1 ZINC000611268728 348432844 /nfs/dbraw/zinc/43/28/44/348432844.db2.gz KDHWETTVMZGGIB-AWEZNQCLSA-N 1 1 252.402 3.065 20 30 CGEDMO C[C@H](NCC[C@@H]1CCCC[N@@H+]1C)c1cccc(C#N)c1 ZINC000611388198 348443617 /nfs/dbraw/zinc/44/36/17/348443617.db2.gz YKXFZASKKTVSAS-YOEHRIQHSA-N 1 1 271.408 3.083 20 30 CGEDMO C[C@H](NCC[C@@H]1CCCC[N@H+]1C)c1cccc(C#N)c1 ZINC000611388198 348443619 /nfs/dbraw/zinc/44/36/19/348443619.db2.gz YKXFZASKKTVSAS-YOEHRIQHSA-N 1 1 271.408 3.083 20 30 CGEDMO C[C@H]([NH2+]Cc1ccnc(C#N)c1)c1cccc(F)c1F ZINC000611406970 348447667 /nfs/dbraw/zinc/44/76/67/348447667.db2.gz OWNUKADDAVLMGN-JTQLQIEISA-N 1 1 273.286 3.082 20 30 CGEDMO N#CC1(C[N@@H+](Cc2ccc3c(c2)OCO3)C2CCCC2)CC1 ZINC000611428977 348450874 /nfs/dbraw/zinc/45/08/74/348450874.db2.gz QJLOZQACHZNJRB-UHFFFAOYSA-N 1 1 298.386 3.464 20 30 CGEDMO N#CCc1ccc(C[N@@H+]2CCc3ccc(O)cc3CC2)cc1 ZINC000612099435 348494241 /nfs/dbraw/zinc/49/42/41/348494241.db2.gz PJFQAPHACYXKOQ-UHFFFAOYSA-N 1 1 292.382 3.059 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000612588147 348532076 /nfs/dbraw/zinc/53/20/76/348532076.db2.gz QHKMFNYPFAPJEG-UHFFFAOYSA-N 1 1 271.364 3.009 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)[C@H](C)CO1 ZINC000614160058 348653375 /nfs/dbraw/zinc/65/33/75/348653375.db2.gz LVPDHCNXJXYEPX-ZIAGYGMSSA-N 1 1 272.392 3.097 20 30 CGEDMO CCO[C@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614167955 348654113 /nfs/dbraw/zinc/65/41/13/348654113.db2.gz DIEXWCNCTIYDIY-KRWDZBQOSA-N 1 1 286.419 3.489 20 30 CGEDMO CO[C@@H]1CCC[N@H+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000615446137 348740135 /nfs/dbraw/zinc/74/01/35/348740135.db2.gz LHLAPIISJTXHOF-CZUORRHYSA-N 1 1 258.365 3.120 20 30 CGEDMO C=CCCNC(=O)c1ccc(C[N@H+](CC)CCC)cc1 ZINC000617615167 348984273 /nfs/dbraw/zinc/98/42/73/348984273.db2.gz AXWSDBGGZJLLTQ-UHFFFAOYSA-N 1 1 274.408 3.224 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C#N)c(C)c1)C1CCCC1 ZINC000618592880 349115201 /nfs/dbraw/zinc/11/52/01/349115201.db2.gz VRTJOVLTXQSSNM-UHFFFAOYSA-N 1 1 272.392 3.258 20 30 CGEDMO Cc1cc(C[N@@H+](C)CCOC(C)(C)C)ccc1C#N ZINC000618594295 349115692 /nfs/dbraw/zinc/11/56/92/349115692.db2.gz DHQOQVRVHNVTEU-UHFFFAOYSA-N 1 1 260.381 3.114 20 30 CGEDMO Cc1cc(N[C@@H]2CCc3cc(C#N)ccc32)nc(C)[nH+]1 ZINC000618693796 349145560 /nfs/dbraw/zinc/14/55/60/349145560.db2.gz POPUMYHLCDKWBR-OAHLLOKOSA-N 1 1 264.332 3.065 20 30 CGEDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)Nc1ncc(C#N)cc1Cl ZINC000358878765 233208257 /nfs/dbraw/zinc/20/82/57/233208257.db2.gz VFQVOYSMTOXUNT-NWDGAFQWSA-N 1 1 292.814 3.139 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000618767519 349153533 /nfs/dbraw/zinc/15/35/33/349153533.db2.gz DNNMMANEHKOANC-NSHDSACASA-N 1 1 287.319 3.277 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000618767519 349153536 /nfs/dbraw/zinc/15/35/36/349153536.db2.gz DNNMMANEHKOANC-NSHDSACASA-N 1 1 287.319 3.277 20 30 CGEDMO C=CCC1(NC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CCCC1 ZINC000619104473 349203333 /nfs/dbraw/zinc/20/33/33/349203333.db2.gz MRTCFDXBFAJNHD-QLFBSQMISA-N 1 1 278.440 3.253 20 30 CGEDMO C[C@@]1(c2ccc(F)cc2)CC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000619517244 349255483 /nfs/dbraw/zinc/25/54/83/349255483.db2.gz IUEMEVJDXMGGRQ-GOSISDBHSA-N 1 1 295.361 3.256 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cccnc1C(F)(F)F ZINC000625178080 350136499 /nfs/dbraw/zinc/13/64/99/350136499.db2.gz ZNBKWSMFVGRVHO-UHFFFAOYSA-N 1 1 258.287 3.498 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2Cl)C1 ZINC000625699649 350197122 /nfs/dbraw/zinc/19/71/22/350197122.db2.gz BUGSYKZHELNFKQ-LBPRGKRZSA-N 1 1 278.783 3.177 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CC(=O)Nc2ccccc2Cl)C1 ZINC000625699649 350197126 /nfs/dbraw/zinc/19/71/26/350197126.db2.gz BUGSYKZHELNFKQ-LBPRGKRZSA-N 1 1 278.783 3.177 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2C)C1 ZINC000625699603 350197542 /nfs/dbraw/zinc/19/75/42/350197542.db2.gz ATWPXJVPRRWUQI-CYBMUJFWSA-N 1 1 292.810 3.485 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2csc(N(C)C3CC3)n2)C1 ZINC000625700477 350198207 /nfs/dbraw/zinc/19/82/07/350198207.db2.gz IMVTVLYUIWPKGU-GFCCVEGCSA-N 1 1 277.437 3.140 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(F)cc2Cl)C1 ZINC000625700993 350198245 /nfs/dbraw/zinc/19/82/45/350198245.db2.gz NRWWIAPCJFKAKP-LLVKDONJSA-N 1 1 296.773 3.316 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(F)cc2Cl)C1 ZINC000625700993 350198249 /nfs/dbraw/zinc/19/82/49/350198249.db2.gz NRWWIAPCJFKAKP-LLVKDONJSA-N 1 1 296.773 3.316 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccn(-c3ccccc3F)n2)C1 ZINC000625700456 350198318 /nfs/dbraw/zinc/19/83/18/350198318.db2.gz BYRDKDDYVGBPAJ-CQSZACIVSA-N 1 1 285.366 3.409 20 30 CGEDMO C=CC[C@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000625700676 350198740 /nfs/dbraw/zinc/19/87/40/350198740.db2.gz DXTXSEPUJAAEQG-HOTGVXAUSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2nccn2-c2ccccc2)C1 ZINC000625702755 350199893 /nfs/dbraw/zinc/19/98/93/350199893.db2.gz OOOSOLYZYQYFFP-OAHLLOKOSA-N 1 1 267.376 3.270 20 30 CGEDMO C=CC[N@H+](CC(=O)N[C@H](C)c1ccccc1)C(C)(C)C ZINC000625538188 350182894 /nfs/dbraw/zinc/18/28/94/350182894.db2.gz DIBWKVNOPCCTMF-CQSZACIVSA-N 1 1 274.408 3.150 20 30 CGEDMO C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CC12CCC2 ZINC000271351581 191089567 /nfs/dbraw/zinc/08/95/67/191089567.db2.gz OMXYDMAVYHRNBZ-PBHICJAKSA-N 1 1 284.403 3.104 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000628405862 350529825 /nfs/dbraw/zinc/52/98/25/350529825.db2.gz WIVDXJUSRHBSLC-CQSZACIVSA-N 1 1 267.376 3.475 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000628406467 350530043 /nfs/dbraw/zinc/53/00/43/350530043.db2.gz KLIALFNRWFWNKW-OAHLLOKOSA-N 1 1 273.424 3.324 20 30 CGEDMO C=CCOc1cccc(C[N@H+](C)CC(O)(CC)CC)c1 ZINC000628479613 350549728 /nfs/dbraw/zinc/54/97/28/350549728.db2.gz VAJJLTSYKYNJSA-UHFFFAOYSA-N 1 1 277.408 3.234 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000633096061 351242466 /nfs/dbraw/zinc/24/24/66/351242466.db2.gz AASYAVMHBFVFBF-RDJZCZTQSA-N 1 1 298.430 3.122 20 30 CGEDMO C=C(Cl)C[NH2+][C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000271513401 191185502 /nfs/dbraw/zinc/18/55/02/191185502.db2.gz PFRLPLJPFTVEOZ-SNVBAGLBSA-N 1 1 284.743 3.397 20 30 CGEDMO C=C1CC[NH+]([C@@H](C)c2cc(C)c(C(=O)OC)o2)CC1 ZINC000271622816 191246767 /nfs/dbraw/zinc/24/67/67/191246767.db2.gz NGDUMTIIWFRJNN-LBPRGKRZSA-N 1 1 263.337 3.088 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(F)cc1F ZINC000155136227 188185673 /nfs/dbraw/zinc/18/56/73/188185673.db2.gz WPYXTLAXRBRISV-NSHDSACASA-N 1 1 282.334 3.190 20 30 CGEDMO CSC[C@@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000157246688 188305944 /nfs/dbraw/zinc/30/59/44/188305944.db2.gz FAZYWRXRQPBYRS-HNNXBMFYSA-N 1 1 263.381 3.005 20 30 CGEDMO CC(C)(C#N)CCN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000157525458 188322930 /nfs/dbraw/zinc/32/29/30/188322930.db2.gz YTAAYIFHRBNRGJ-UHFFFAOYSA-N 1 1 285.435 3.134 20 30 CGEDMO CC(C)(C#N)CC[N@@H+]1CCCN(Cc2ccccc2)CC1 ZINC000157525458 188322932 /nfs/dbraw/zinc/32/29/32/188322932.db2.gz YTAAYIFHRBNRGJ-UHFFFAOYSA-N 1 1 285.435 3.134 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCCN(Cc2ccccc2)CC1 ZINC000157525458 188322933 /nfs/dbraw/zinc/32/29/33/188322933.db2.gz YTAAYIFHRBNRGJ-UHFFFAOYSA-N 1 1 285.435 3.134 20 30 CGEDMO CCc1[nH+]ccn1Cc1ccccc1C(C)(C)C#N ZINC000158440653 188375684 /nfs/dbraw/zinc/37/56/84/188375684.db2.gz OGSHFCVJIMFQCH-UHFFFAOYSA-N 1 1 253.349 3.295 20 30 CGEDMO C#CC[C@@H]([NH2+]Cc1cc(C(=O)OC)c(C)o1)c1ccccc1 ZINC000271725000 191291227 /nfs/dbraw/zinc/29/12/27/191291227.db2.gz QWIWFMTXTFJVMG-QGZVFWFLSA-N 1 1 297.354 3.229 20 30 CGEDMO C[C@@H]1CC[C@]2(CC[N@H+](Cc3nc(C#N)cs3)C2)C1 ZINC000336401579 213258529 /nfs/dbraw/zinc/25/85/29/213258529.db2.gz TXSBNNWYCMSIDP-RISCZKNCSA-N 1 1 261.394 3.027 20 30 CGEDMO C[C@@H]1CC[C@]2(CC[N@@H+](Cc3nc(C#N)cs3)C2)C1 ZINC000336401579 213258532 /nfs/dbraw/zinc/25/85/32/213258532.db2.gz TXSBNNWYCMSIDP-RISCZKNCSA-N 1 1 261.394 3.027 20 30 CGEDMO N#CC1(C[NH2+][C@@H]2CCCc3c(O)cccc32)CCC1 ZINC000334617194 283046430 /nfs/dbraw/zinc/04/64/30/283046430.db2.gz CHBBTPLMURESKK-CQSZACIVSA-N 1 1 256.349 3.053 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@@H+]2CCc3c(F)cc(F)cc3C2)C1 ZINC000336520986 283058592 /nfs/dbraw/zinc/05/85/92/283058592.db2.gz YPPUPMLWZCZSBJ-MFKMUULPSA-N 1 1 262.303 3.015 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCc3c(F)cc(F)cc3C2)C1 ZINC000336520986 283058593 /nfs/dbraw/zinc/05/85/93/283058593.db2.gz YPPUPMLWZCZSBJ-MFKMUULPSA-N 1 1 262.303 3.015 20 30 CGEDMO C[C@H]1CC(C)(C)C[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000412036118 235110905 /nfs/dbraw/zinc/11/09/05/235110905.db2.gz GKUFYUVUEKWKKZ-LBPRGKRZSA-N 1 1 296.374 3.229 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)cc1 ZINC000177207375 283141953 /nfs/dbraw/zinc/14/19/53/283141953.db2.gz NKZWETIZZBGGKX-HOTGVXAUSA-N 1 1 272.417 3.418 20 30 CGEDMO C=CCCCC(=O)Nc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000273028610 192024623 /nfs/dbraw/zinc/02/46/23/192024623.db2.gz MGMUPSJBUMYYDO-UHFFFAOYSA-N 1 1 293.436 3.204 20 30 CGEDMO C=CCCCC(=O)Nc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000273028610 192024625 /nfs/dbraw/zinc/02/46/25/192024625.db2.gz MGMUPSJBUMYYDO-UHFFFAOYSA-N 1 1 293.436 3.204 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)c(OC(F)F)c1)C1CC1 ZINC000273523336 192185312 /nfs/dbraw/zinc/18/53/12/192185312.db2.gz SVSFIMZWNMDFKX-UHFFFAOYSA-N 1 1 283.318 3.447 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCc3cc(F)ccc3C2)c1 ZINC000091894790 283205952 /nfs/dbraw/zinc/20/59/52/283205952.db2.gz OMGDIXBKKOOYCU-UHFFFAOYSA-N 1 1 266.319 3.256 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCc3cc(F)ccc3C2)c1 ZINC000091894790 283205953 /nfs/dbraw/zinc/20/59/53/283205953.db2.gz OMGDIXBKKOOYCU-UHFFFAOYSA-N 1 1 266.319 3.256 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000459521060 283211865 /nfs/dbraw/zinc/21/18/65/283211865.db2.gz HCESEDSHRXXIRB-CQSZACIVSA-N 1 1 285.347 3.088 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000459521060 283211871 /nfs/dbraw/zinc/21/18/71/283211871.db2.gz HCESEDSHRXXIRB-CQSZACIVSA-N 1 1 285.347 3.088 20 30 CGEDMO COc1ccccc1CC[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000104711267 138351119 /nfs/dbraw/zinc/35/11/19/138351119.db2.gz CMAAZLMMCWJXFS-UHFFFAOYSA-N 1 1 298.361 3.380 20 30 CGEDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000125516393 138382834 /nfs/dbraw/zinc/38/28/34/138382834.db2.gz ISXZYRYMVYVJJQ-CYBMUJFWSA-N 1 1 298.361 3.466 20 30 CGEDMO N#Cc1csc(C[NH2+][C@@H]2CCCc3c(F)cccc32)n1 ZINC000335357350 283247728 /nfs/dbraw/zinc/24/77/28/283247728.db2.gz AWNGDXIZXRFFRT-CQSZACIVSA-N 1 1 287.363 3.321 20 30 CGEDMO CCC[C@H]1[C@@H](C)CCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191414987 138472291 /nfs/dbraw/zinc/47/22/91/138472291.db2.gz LZBZIBOYWTUKJU-BBRMVZONSA-N 1 1 259.397 3.297 20 30 CGEDMO Cc1cc(N(C)[C@@H](C)c2cccc(C#N)c2)nc(C)[nH+]1 ZINC000425284196 236227635 /nfs/dbraw/zinc/22/76/35/236227635.db2.gz QCWUFKVCESFIAL-LBPRGKRZSA-N 1 1 266.348 3.163 20 30 CGEDMO CS[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000336237200 213068378 /nfs/dbraw/zinc/06/83/78/213068378.db2.gz RXMUJWNUCGKGLD-GFCCVEGCSA-N 1 1 266.797 3.149 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)CCN1CCCCC1 ZINC000425532691 236257651 /nfs/dbraw/zinc/25/76/51/236257651.db2.gz JRYJXKYOUMIXRA-OAHLLOKOSA-N 1 1 271.408 3.037 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCN1CCCCC1 ZINC000425532691 236257652 /nfs/dbraw/zinc/25/76/52/236257652.db2.gz JRYJXKYOUMIXRA-OAHLLOKOSA-N 1 1 271.408 3.037 20 30 CGEDMO Cc1cc(C)cc([C@H](C)[NH2+]Cc2nc(C#N)cs2)c1 ZINC000352844867 219680531 /nfs/dbraw/zinc/68/05/31/219680531.db2.gz HLUJROFYFUMHRJ-LBPRGKRZSA-N 1 1 271.389 3.482 20 30 CGEDMO N#Cc1cccc(C2([NH2+]Cc3cccc(C#N)c3F)CC2)c1 ZINC000341971991 216173787 /nfs/dbraw/zinc/17/37/87/216173787.db2.gz PTPZCEQUUCPGNQ-UHFFFAOYSA-N 1 1 291.329 3.348 20 30 CGEDMO CO[C@@H]1C[C@H]([N@H+](C)Cc2cccc(F)c2C#N)C12CCC2 ZINC000451832146 240367252 /nfs/dbraw/zinc/36/72/52/240367252.db2.gz GOSTYLMKLVDJGJ-JKSUJKDBSA-N 1 1 288.366 3.087 20 30 CGEDMO CO[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(F)c2C#N)C12CCC2 ZINC000451832146 240367254 /nfs/dbraw/zinc/36/72/54/240367254.db2.gz GOSTYLMKLVDJGJ-JKSUJKDBSA-N 1 1 288.366 3.087 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)s1 ZINC000179622956 189208684 /nfs/dbraw/zinc/20/86/84/189208684.db2.gz LQNONJCOAWEKMG-VIFPVBQESA-N 1 1 274.311 3.394 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)s1 ZINC000179622956 189208685 /nfs/dbraw/zinc/20/86/85/189208685.db2.gz LQNONJCOAWEKMG-VIFPVBQESA-N 1 1 274.311 3.394 20 30 CGEDMO CC[N@H+](Cc1ccc(C#N)cc1Br)C1CC1 ZINC000180966368 189285125 /nfs/dbraw/zinc/28/51/25/189285125.db2.gz AHWBMKPXDROZTJ-UHFFFAOYSA-N 1 1 279.181 3.305 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)cc1Br)C1CC1 ZINC000180966368 189285126 /nfs/dbraw/zinc/28/51/26/189285126.db2.gz AHWBMKPXDROZTJ-UHFFFAOYSA-N 1 1 279.181 3.305 20 30 CGEDMO CC[N@@H+](CCCn1ccnc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000183166001 189348375 /nfs/dbraw/zinc/34/83/75/189348375.db2.gz BXBDAVCTFGASJD-HNNXBMFYSA-N 1 1 282.391 3.228 20 30 CGEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)Nc1ncccc1C#N ZINC000301815446 201213944 /nfs/dbraw/zinc/21/39/44/201213944.db2.gz IQQLBPPYYONBLA-UHFFFAOYSA-N 1 1 294.402 3.276 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](C)C[C@H]2CCCOC2)c1 ZINC000119741122 370704262 /nfs/dbraw/zinc/70/42/62/370704262.db2.gz USHKZZKQJPLYPB-MRXNPFEDSA-N 1 1 275.392 3.110 20 30 CGEDMO C[C@H]1CO[C@@H](c2ccccc2)C[N@@H+]1CCC(C)(C)C#N ZINC000119907299 370721804 /nfs/dbraw/zinc/72/18/04/370721804.db2.gz AQBMIFDLJCXBMB-GOEBONIOSA-N 1 1 272.392 3.388 20 30 CGEDMO C[C@H]1CO[C@@H](c2ccccc2)C[N@H+]1CCC(C)(C)C#N ZINC000119907299 370721810 /nfs/dbraw/zinc/72/18/10/370721810.db2.gz AQBMIFDLJCXBMB-GOEBONIOSA-N 1 1 272.392 3.388 20 30 CGEDMO C[C@H]1C[C@H](N(C)Cc2ccc(C#N)cc2Cl)CC[N@H+]1C ZINC000335677966 212398815 /nfs/dbraw/zinc/39/88/15/212398815.db2.gz WYHGDTJNFQOGTP-SWLSCSKDSA-N 1 1 291.826 3.126 20 30 CGEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)C12CCC2 ZINC000120950148 370815888 /nfs/dbraw/zinc/81/58/88/370815888.db2.gz PWGBGFZHBHXGMS-IAGOWNOFSA-N 1 1 284.403 3.338 20 30 CGEDMO CC(C)C1CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459347552 242083452 /nfs/dbraw/zinc/08/34/52/242083452.db2.gz VUOBJLWANNNVIX-UHFFFAOYSA-N 1 1 287.363 3.334 20 30 CGEDMO CCOC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000459673727 242172785 /nfs/dbraw/zinc/17/27/85/242172785.db2.gz KAOBENUFJYXGFL-KRWDZBQOSA-N 1 1 272.392 3.258 20 30 CGEDMO C=CC[N@@H+](C)CC(=O)N(Cc1cccc(F)c1)C(C)(C)C ZINC000121465255 370864084 /nfs/dbraw/zinc/86/40/84/370864084.db2.gz BKEHKYKFDGQUBN-UHFFFAOYSA-N 1 1 292.398 3.071 20 30 CGEDMO C=CC[N@H+](C)CC(=O)N(Cc1cccc(F)c1)C(C)(C)C ZINC000121465255 370864089 /nfs/dbraw/zinc/86/40/89/370864089.db2.gz BKEHKYKFDGQUBN-UHFFFAOYSA-N 1 1 292.398 3.071 20 30 CGEDMO CCc1cnc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)s1 ZINC000353268647 219999414 /nfs/dbraw/zinc/99/94/14/219999414.db2.gz RKMMMOHDHIWJOO-OAHLLOKOSA-N 1 1 283.400 3.354 20 30 CGEDMO C[C@H]1CCCC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000481577572 243197073 /nfs/dbraw/zinc/19/70/73/243197073.db2.gz LJJWYYPXZIVWDR-HNNXBMFYSA-N 1 1 272.392 3.449 20 30 CGEDMO CCCCCCCC[N@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000124945191 370929400 /nfs/dbraw/zinc/92/94/00/370929400.db2.gz HGPAUNUQTWIDAB-CVEARBPZSA-N 1 1 280.456 3.338 20 30 CGEDMO C[C@@H](C1CC1)[N@@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC000046059931 369289965 /nfs/dbraw/zinc/28/99/65/369289965.db2.gz HMHVJTIEXJLFRC-NSHDSACASA-N 1 1 258.340 3.460 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C#N)[C@@H]1C ZINC000050564748 369441488 /nfs/dbraw/zinc/44/14/88/369441488.db2.gz VMVWGPJFMXRXQP-ZIAGYGMSSA-N 1 1 285.391 3.007 20 30 CGEDMO CCO[C@H](C)c1nc(C[N@H+](C)CCCCC#N)cs1 ZINC000174010621 261176106 /nfs/dbraw/zinc/17/61/06/261176106.db2.gz UWHJIHADUAZHQU-GFCCVEGCSA-N 1 1 281.425 3.366 20 30 CGEDMO CCO[C@H](C)c1nc(C[N@@H+](C)CCCCC#N)cs1 ZINC000174010621 261176108 /nfs/dbraw/zinc/17/61/08/261176108.db2.gz UWHJIHADUAZHQU-GFCCVEGCSA-N 1 1 281.425 3.366 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCSC[C@H]1c1ccc(C)cc1 ZINC000129275128 370980671 /nfs/dbraw/zinc/98/06/71/370980671.db2.gz NTVSLUUPASHYRD-SJORKVTESA-N 1 1 291.460 3.412 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc(C(C)=O)ccc1OCC ZINC000276505039 193360056 /nfs/dbraw/zinc/36/00/56/193360056.db2.gz WQYVEURXTZZNPX-UHFFFAOYSA-N 1 1 261.365 3.296 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000276464971 193341953 /nfs/dbraw/zinc/34/19/53/193341953.db2.gz QZLIEOYBOYRPBN-GFCCVEGCSA-N 1 1 280.799 3.483 20 30 CGEDMO CCCC[N@@H+](C)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000073601587 369860209 /nfs/dbraw/zinc/86/02/09/369860209.db2.gz HWNWRYNFPYBTOG-ISXOHVOVSA-N 1 1 293.455 3.038 20 30 CGEDMO Cc1cnc(C(C)(C)[NH2+]Cc2ccc(C#N)cc2)s1 ZINC000080346753 369986838 /nfs/dbraw/zinc/98/68/38/369986838.db2.gz XTCVQCNZEYXVET-UHFFFAOYSA-N 1 1 271.389 3.348 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@]3(CC=CCC3)C2)o1 ZINC000093439464 370129504 /nfs/dbraw/zinc/12/95/04/370129504.db2.gz RUXARKLPPFSYMM-INIZCTEOSA-N 1 1 256.349 3.474 20 30 CGEDMO CCc1cccc(OCC[N@@H+](CC)C[C@H](C)C#N)c1 ZINC000098134240 370266226 /nfs/dbraw/zinc/26/62/26/370266226.db2.gz FSGZNQBOJDHOMG-CQSZACIVSA-N 1 1 260.381 3.109 20 30 CGEDMO CCc1cccc(OCC[N@H+](CC)C[C@H](C)C#N)c1 ZINC000098134240 370266230 /nfs/dbraw/zinc/26/62/30/370266230.db2.gz FSGZNQBOJDHOMG-CQSZACIVSA-N 1 1 260.381 3.109 20 30 CGEDMO CCC[N@@H+](CCCC#N)[C@H](C)C(=O)Nc1ccccc1 ZINC000101549204 370290686 /nfs/dbraw/zinc/29/06/86/370290686.db2.gz AHJRQPCYIYNSAP-CQSZACIVSA-N 1 1 273.380 3.029 20 30 CGEDMO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1ccccc1C#N ZINC000109784576 370365633 /nfs/dbraw/zinc/36/56/33/370365633.db2.gz KGQBTDZIYRXQAJ-ZDUSSCGKSA-N 1 1 266.344 3.457 20 30 CGEDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1ccccc1C#N ZINC000109784576 370365637 /nfs/dbraw/zinc/36/56/37/370365637.db2.gz KGQBTDZIYRXQAJ-ZDUSSCGKSA-N 1 1 266.344 3.457 20 30 CGEDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000109784240 370365775 /nfs/dbraw/zinc/36/57/75/370365775.db2.gz KYUIBWIRQVVTFS-ZDUSSCGKSA-N 1 1 266.344 3.457 20 30 CGEDMO CC(C)C[C@@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)N(C)C ZINC000512619470 245042124 /nfs/dbraw/zinc/04/21/24/245042124.db2.gz MAWBYBZLJGWRHR-HIFRSBDPSA-N 1 1 291.414 3.324 20 30 CGEDMO CC[C@@H](c1ccncc1)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000130265313 371021792 /nfs/dbraw/zinc/02/17/92/371021792.db2.gz BVNAOIDHCYXBES-SFHVURJKSA-N 1 1 295.386 3.415 20 30 CGEDMO FCCC[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000132343968 371168029 /nfs/dbraw/zinc/16/80/29/371168029.db2.gz FZDIEARVSOJDGF-UHFFFAOYSA-N 1 1 267.188 3.163 20 30 CGEDMO CS[C@@H]1CCCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000134565342 371350424 /nfs/dbraw/zinc/35/04/24/371350424.db2.gz HWKZSWUYUHJMIC-CQSZACIVSA-N 1 1 278.396 3.415 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@@H]2CCSc3ccccc32)o1 ZINC000135131007 371392896 /nfs/dbraw/zinc/39/28/96/371392896.db2.gz WTXOAZADLSIRSY-CQSZACIVSA-N 1 1 270.357 3.478 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000135137067 371394632 /nfs/dbraw/zinc/39/46/32/371394632.db2.gz SQIVMEXVXBVHTA-HFTRVMKXSA-N 1 1 290.451 3.064 20 30 CGEDMO C[C@@H](CC#N)[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000135282929 371410239 /nfs/dbraw/zinc/41/02/39/371410239.db2.gz JQTAPYXERXZUEV-ZDUSSCGKSA-N 1 1 255.365 3.222 20 30 CGEDMO C[C@@H](CC#N)[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000135282929 371410245 /nfs/dbraw/zinc/41/02/45/371410245.db2.gz JQTAPYXERXZUEV-ZDUSSCGKSA-N 1 1 255.365 3.222 20 30 CGEDMO C[C@H]1OCC[N@H+](Cc2ccccc2C(C)(C)C#N)[C@H]1C ZINC000135292235 371410552 /nfs/dbraw/zinc/41/05/52/371410552.db2.gz WDBDHJFFMAUNGG-UONOGXRCSA-N 1 1 272.392 3.097 20 30 CGEDMO C[C@H]1OCC[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@H]1C ZINC000135292235 371410554 /nfs/dbraw/zinc/41/05/54/371410554.db2.gz WDBDHJFFMAUNGG-UONOGXRCSA-N 1 1 272.392 3.097 20 30 CGEDMO CSCC[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000135283722 371410681 /nfs/dbraw/zinc/41/06/81/371410681.db2.gz ZEDKPSFWTSHXRS-UHFFFAOYSA-N 1 1 262.422 3.283 20 30 CGEDMO COc1ccc(C[N@@H+](C)CCc2ccc(F)cc2)cc1C#N ZINC000135001948 371383026 /nfs/dbraw/zinc/38/30/26/371383026.db2.gz LCBSNTXGLMSYFX-UHFFFAOYSA-N 1 1 298.361 3.380 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000151890353 371648759 /nfs/dbraw/zinc/64/87/59/371648759.db2.gz HOFJVLBWTWTNSU-INIZCTEOSA-N 1 1 275.392 3.110 20 30 CGEDMO CC[C@H](CC#N)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289068346 371750552 /nfs/dbraw/zinc/75/05/52/371750552.db2.gz AYJPASYWPSDETR-KBAYOESNSA-N 1 1 285.435 3.179 20 30 CGEDMO C[N@H+](CC#Cc1ccc(F)cc1)CCc1cccs1 ZINC000154064990 371814508 /nfs/dbraw/zinc/81/45/08/371814508.db2.gz HQKDWDOJSPBKMC-UHFFFAOYSA-N 1 1 273.376 3.413 20 30 CGEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H]1CC=CCC1 ZINC000344080709 217041854 /nfs/dbraw/zinc/04/18/54/217041854.db2.gz ZGFMABRNUXXNDR-PBHICJAKSA-N 1 1 298.386 3.060 20 30 CGEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000344080709 217041857 /nfs/dbraw/zinc/04/18/57/217041857.db2.gz ZGFMABRNUXXNDR-PBHICJAKSA-N 1 1 298.386 3.060 20 30 CGEDMO CC#CCC[N@H+](CCC)[C@@H](C)C(=O)Nc1ccccc1 ZINC000156605486 371988022 /nfs/dbraw/zinc/98/80/22/371988022.db2.gz DNNRPRNPVOIYDN-HNNXBMFYSA-N 1 1 272.392 3.139 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000158145734 372056481 /nfs/dbraw/zinc/05/64/81/372056481.db2.gz REKXEQMGVLXKAN-UHFFFAOYSA-N 1 1 271.339 3.185 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1c[nH]nc1-c1ccccc1 ZINC000158994520 372096418 /nfs/dbraw/zinc/09/64/18/372096418.db2.gz GLCRJYICYIKBGS-UHFFFAOYSA-N 1 1 255.365 3.475 20 30 CGEDMO C=C[C@@H](CO)[NH2+][C@@H](C)c1csc(-c2ccccc2F)n1 ZINC000291304440 372157772 /nfs/dbraw/zinc/15/77/72/372157772.db2.gz SQSOWJSTQNNQOP-QWRGUYRKSA-N 1 1 292.379 3.147 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(C)=O)cc1 ZINC000426557580 372164943 /nfs/dbraw/zinc/16/49/43/372164943.db2.gz FYTLLIDNIBYFPR-INIZCTEOSA-N 1 1 258.365 3.186 20 30 CGEDMO Cc1ccc(C#N)c(NCCCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC000160620335 372262926 /nfs/dbraw/zinc/26/29/26/372262926.db2.gz UHSXINCCWCNTAE-HNNXBMFYSA-N 1 1 286.423 3.328 20 30 CGEDMO C=CC[N@H+](C[C@@H](O)c1cc2ccccc2o1)C1CC1 ZINC000293836460 372497661 /nfs/dbraw/zinc/49/76/61/372497661.db2.gz QEPWOOZRMLBGPW-CQSZACIVSA-N 1 1 257.333 3.117 20 30 CGEDMO C[N@H+]1CCC[C@H]2CN(c3cccc(Cl)c3C#N)CC[C@@H]21 ZINC000166633742 372578549 /nfs/dbraw/zinc/57/85/49/372578549.db2.gz SSHZLSMUFMPORN-WFASDCNBSA-N 1 1 289.810 3.132 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@@H](c2ccc(CC)cc2)C1 ZINC000433054417 372580065 /nfs/dbraw/zinc/58/00/65/372580065.db2.gz SROLQNXZPXUIER-MSOLQXFVSA-N 1 1 273.420 3.365 20 30 CGEDMO N#Cc1cc(F)ccc1NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000433797286 372633009 /nfs/dbraw/zinc/63/30/09/372633009.db2.gz VHEQQLZTEGNDLD-OAHLLOKOSA-N 1 1 273.355 3.126 20 30 CGEDMO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000295201733 372699539 /nfs/dbraw/zinc/69/95/39/372699539.db2.gz YUMZXHISAHHRGI-LOWVWBTDSA-N 1 1 299.340 3.448 20 30 CGEDMO N#Cc1ccc2c(c1)[C@H](NCC[NH+]1CCCCCC1)CC2 ZINC000353389354 220057478 /nfs/dbraw/zinc/05/74/78/220057478.db2.gz RPFWCETWYJYDJE-GOSISDBHSA-N 1 1 283.419 3.011 20 30 CGEDMO C#CC[N@@H+](C)CCCN[C@H](C)c1ccc(Cl)s1 ZINC000295104103 372692958 /nfs/dbraw/zinc/69/29/58/372692958.db2.gz WLJXNHIJBDNPDP-LLVKDONJSA-N 1 1 270.829 3.007 20 30 CGEDMO C#CC[N@H+](C)CCCN[C@H](C)c1ccc(Cl)s1 ZINC000295104103 372692963 /nfs/dbraw/zinc/69/29/63/372692963.db2.gz WLJXNHIJBDNPDP-LLVKDONJSA-N 1 1 270.829 3.007 20 30 CGEDMO C=CC[N@@H+](CC[C@H]1CCOC1)Cc1cccs1 ZINC000437592118 372853526 /nfs/dbraw/zinc/85/35/26/372853526.db2.gz QPDKHLNAIIIHQV-ZDUSSCGKSA-N 1 1 251.395 3.163 20 30 CGEDMO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000438003620 372862253 /nfs/dbraw/zinc/86/22/53/372862253.db2.gz XEDDMWXKLXWKOT-HZMBPMFUSA-N 1 1 257.312 3.089 20 30 CGEDMO C=CC[NH+]1CCN([C@H](C)c2ccc(Cl)cc2)CC1 ZINC000441342771 373003393 /nfs/dbraw/zinc/00/33/93/373003393.db2.gz FASROURGSJKUFO-CYBMUJFWSA-N 1 1 264.800 3.205 20 30 CGEDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC000443327763 373150379 /nfs/dbraw/zinc/15/03/79/373150379.db2.gz CWLHAEPZFNUPFG-JKIFEVAISA-N 1 1 291.822 3.173 20 30 CGEDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1CC#Cc1ccccc1Cl ZINC000443327763 373150387 /nfs/dbraw/zinc/15/03/87/373150387.db2.gz CWLHAEPZFNUPFG-JKIFEVAISA-N 1 1 291.822 3.173 20 30 CGEDMO C[C@@H]1CN(c2ccc(C(F)(F)F)c(C#N)c2)[C@@H](C)C[N@H+]1C ZINC000443514365 373156918 /nfs/dbraw/zinc/15/69/18/373156918.db2.gz FSQWGRLMBKURPL-MNOVXSKESA-N 1 1 297.324 3.106 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000444624446 373213972 /nfs/dbraw/zinc/21/39/72/373213972.db2.gz LYBVKMBMUNLUQZ-VXGBXAGGSA-N 1 1 292.345 3.094 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@]1(CCC)C(=O)OCC ZINC000444783464 373275268 /nfs/dbraw/zinc/27/52/68/373275268.db2.gz LEANJVZHOGBIRT-HNNXBMFYSA-N 1 1 253.386 3.150 20 30 CGEDMO CC[C@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000444675371 373230450 /nfs/dbraw/zinc/23/04/50/373230450.db2.gz LWCWAZIDZLMINP-RDJZCZTQSA-N 1 1 299.418 3.397 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@]1(C)CCCO ZINC000444685961 373233878 /nfs/dbraw/zinc/23/38/78/373233878.db2.gz BMVKGPKMFZRUAG-MRXNPFEDSA-N 1 1 266.429 3.333 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000444725054 373251288 /nfs/dbraw/zinc/25/12/88/373251288.db2.gz FWPWBHGBJADONS-RWMBFGLXSA-N 1 1 279.346 3.366 20 30 CGEDMO CC(C)[C@@H]1CCC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000444751571 373259104 /nfs/dbraw/zinc/25/91/04/373259104.db2.gz BGJIVNRFXRDQEA-MRXNPFEDSA-N 1 1 272.392 3.305 20 30 CGEDMO C#Cc1cccc(NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000174784612 373365386 /nfs/dbraw/zinc/36/53/86/373365386.db2.gz PKHCUOVWCJUDCK-KRWDZBQOSA-N 1 1 299.418 3.006 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1cnc(C(F)(F)F)s1 ZINC000446816665 373365794 /nfs/dbraw/zinc/36/57/94/373365794.db2.gz DEKMANLGNKJHRG-UHFFFAOYSA-N 1 1 250.289 3.170 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cnc(C(F)(F)F)s1 ZINC000446816665 373365800 /nfs/dbraw/zinc/36/58/00/373365800.db2.gz DEKMANLGNKJHRG-UHFFFAOYSA-N 1 1 250.289 3.170 20 30 CGEDMO C=CC[C@H]1[N@H+](CC[C@H]2CCOC2)CCCC1(C)C ZINC000446827446 373366699 /nfs/dbraw/zinc/36/66/99/373366699.db2.gz OJAVPOJVVADVQX-LSDHHAIUSA-N 1 1 251.414 3.480 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCC[C@@H]2C2CCC2)cc1 ZINC000446841287 373369480 /nfs/dbraw/zinc/36/94/80/373369480.db2.gz NUVRCGWZZSDXFM-QGZVFWFLSA-N 1 1 257.352 3.442 20 30 CGEDMO C#CC[N@H+](Cc1cccnc1)[C@@H]1CCc2ccccc21 ZINC000175120073 373412852 /nfs/dbraw/zinc/41/28/52/373412852.db2.gz KYEMRMCQPPGYIH-GOSISDBHSA-N 1 1 262.356 3.204 20 30 CGEDMO C#CC[N@@H+](Cc1cccnc1)[C@@H]1CCc2ccccc21 ZINC000175120073 373412856 /nfs/dbraw/zinc/41/28/56/373412856.db2.gz KYEMRMCQPPGYIH-GOSISDBHSA-N 1 1 262.356 3.204 20 30 CGEDMO C[C@H](O)C[C@H]1CCCC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000447843921 373506353 /nfs/dbraw/zinc/50/63/53/373506353.db2.gz OLKFUYVQHMTOMA-WMLDXEAASA-N 1 1 291.822 3.317 20 30 CGEDMO COc1cccc(CCC[N@@H+](CCC#N)CC2CC2)c1 ZINC000176252977 373573079 /nfs/dbraw/zinc/57/30/79/373573079.db2.gz OOJMIZQYFUDVMC-UHFFFAOYSA-N 1 1 272.392 3.253 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000448723790 373636839 /nfs/dbraw/zinc/63/68/39/373636839.db2.gz IYDYTKMYMRQQTM-JKSUJKDBSA-N 1 1 290.451 3.256 20 30 CGEDMO C[C@H](CNc1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000301094573 373658337 /nfs/dbraw/zinc/65/83/37/373658337.db2.gz JSYKQNCZXRSSEF-ZIAGYGMSSA-N 1 1 257.381 3.091 20 30 CGEDMO C[C@@H](CNc1ccc(C#N)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000301094566 373658853 /nfs/dbraw/zinc/65/88/53/373658853.db2.gz JSYKQNCZXRSSEF-KBPBESRZSA-N 1 1 257.381 3.091 20 30 CGEDMO COc1cc(C[N@H+]2C[C@H](C)C[C@@H](C)[C@H]2C)ccc1C#N ZINC000300194961 373620118 /nfs/dbraw/zinc/62/01/18/373620118.db2.gz DUEILJSFKWYEHJ-MGPQQGTHSA-N 1 1 272.392 3.433 20 30 CGEDMO C=CCCN1CC[N@@H+](CCC=C)CC12CCCCC2 ZINC000177821226 373711194 /nfs/dbraw/zinc/71/11/94/373711194.db2.gz BGYXHQNBINMRHK-UHFFFAOYSA-N 1 1 262.441 3.459 20 30 CGEDMO C=CCCN1CC[N@H+](CCC=C)C2(CCCCC2)C1 ZINC000177821226 373711204 /nfs/dbraw/zinc/71/12/04/373711204.db2.gz BGYXHQNBINMRHK-UHFFFAOYSA-N 1 1 262.441 3.459 20 30 CGEDMO C=CCCN1CC[N@@H+](CCC=C)C2(CCCCC2)C1 ZINC000177821226 373711215 /nfs/dbraw/zinc/71/12/15/373711215.db2.gz BGYXHQNBINMRHK-UHFFFAOYSA-N 1 1 262.441 3.459 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cc(C(=O)OCC)c(C)[nH]1 ZINC000449288079 373676115 /nfs/dbraw/zinc/67/61/15/373676115.db2.gz MHAODBDCDFCTJA-CQSZACIVSA-N 1 1 276.380 3.040 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(C(=O)OCC)c(C)[nH]1 ZINC000449288079 373676122 /nfs/dbraw/zinc/67/61/22/373676122.db2.gz MHAODBDCDFCTJA-CQSZACIVSA-N 1 1 276.380 3.040 20 30 CGEDMO CCCC[N@@H+](C)CCNc1ccc(Cl)cc1C#N ZINC000301234510 373702909 /nfs/dbraw/zinc/70/29/09/373702909.db2.gz KZRYCHWVIYNRLM-UHFFFAOYSA-N 1 1 265.788 3.355 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@@H](SC)C1 ZINC000449446222 373724409 /nfs/dbraw/zinc/72/44/09/373724409.db2.gz PAMZBESNZZFNJO-CQSZACIVSA-N 1 1 263.406 3.189 20 30 CGEDMO C[C@H](CNc1ccc(F)cc1C#N)[N@H+]1CCC[C@H](C)C1 ZINC000301359586 373758648 /nfs/dbraw/zinc/75/86/48/373758648.db2.gz LPMIMXACZJSZHL-QWHCGFSZSA-N 1 1 275.371 3.230 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@H](OC)[C@H](C)C1 ZINC000449510991 373809928 /nfs/dbraw/zinc/80/99/28/373809928.db2.gz YANSBIBDCCCXFO-ZBFHGGJFSA-N 1 1 275.392 3.108 20 30 CGEDMO CO[C@H]1C[C@H]([N@@H+](C)CC(C)(C)CCC#N)C12CCC2 ZINC000449635862 373836476 /nfs/dbraw/zinc/83/64/76/373836476.db2.gz VCFZLXIBVRSUIZ-KBPBESRZSA-N 1 1 264.413 3.206 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@H](OC)[C@H](C)C2)c1 ZINC000449497013 373792211 /nfs/dbraw/zinc/79/22/11/373792211.db2.gz JTRHHSZHCQAONK-PBHICJAKSA-N 1 1 275.392 3.108 20 30 CGEDMO CCO[C@H]1CC[N@@H+](Cc2ccc(C#N)c(C)c2)C[C@@H]1C ZINC000449497979 373793753 /nfs/dbraw/zinc/79/37/53/373793753.db2.gz KXHAKMHOVHYRKQ-YOEHRIQHSA-N 1 1 272.392 3.114 20 30 CGEDMO CC(C)CCc1ccc(NCc2cc(C#N)n(C)c2)[nH+]c1 ZINC000449711891 373851362 /nfs/dbraw/zinc/85/13/62/373851362.db2.gz PKMKGNFMECRXHA-UHFFFAOYSA-N 1 1 282.391 3.492 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000449733232 373860163 /nfs/dbraw/zinc/86/01/63/373860163.db2.gz OGFKZDOKYFNTRY-INIZCTEOSA-N 1 1 272.417 3.277 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC(C)(C)[C@H]2COC[C@H]21 ZINC000449781294 373910661 /nfs/dbraw/zinc/91/06/61/373910661.db2.gz HWKOUIPDRMBGJR-JKSUJKDBSA-N 1 1 287.403 3.108 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC(C)(C)[C@H]3COC[C@H]32)c1 ZINC000449784814 373915691 /nfs/dbraw/zinc/91/56/91/373915691.db2.gz YMBTZQHFVVEWBT-DLBZAZTESA-N 1 1 287.403 3.108 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cnc(-c2ccccc2)[nH]1 ZINC000179817076 373922848 /nfs/dbraw/zinc/92/28/48/373922848.db2.gz RUFCQEPZVCDUME-UHFFFAOYSA-N 1 1 255.365 3.475 20 30 CGEDMO C=CCCC[N@@H+](C)Cc1c[nH]c(-c2ccccc2)n1 ZINC000179817076 373922860 /nfs/dbraw/zinc/92/28/60/373922860.db2.gz RUFCQEPZVCDUME-UHFFFAOYSA-N 1 1 255.365 3.475 20 30 CGEDMO C=CCCC[N@H+](C)Cc1c[nH]c(-c2ccccc2)n1 ZINC000179817076 373922875 /nfs/dbraw/zinc/92/28/75/373922875.db2.gz RUFCQEPZVCDUME-UHFFFAOYSA-N 1 1 255.365 3.475 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000303504124 374021405 /nfs/dbraw/zinc/02/14/05/374021405.db2.gz AHNKXFKFUNNWRT-SFHVURJKSA-N 1 1 288.435 3.009 20 30 CGEDMO C=CCC1(C(=O)NCCCCn2cc[nH+]c2C)CCCC1 ZINC000449932901 373977245 /nfs/dbraw/zinc/97/72/45/373977245.db2.gz XJNMKPAWFMVBQI-UHFFFAOYSA-N 1 1 289.423 3.224 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@@H](C[N@H+](C)CC)C2)CCCCC1 ZINC000449995322 373980058 /nfs/dbraw/zinc/98/00/58/373980058.db2.gz LPLXFZCFHDBDFD-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CCCCC1 ZINC000450102228 373988361 /nfs/dbraw/zinc/98/83/61/373988361.db2.gz DTUNOYYDAHYMOP-GOEBONIOSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181302944 374105582 /nfs/dbraw/zinc/10/55/82/374105582.db2.gz XCFJLEFJRADVFP-HNNXBMFYSA-N 1 1 282.391 3.227 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000181522968 374135783 /nfs/dbraw/zinc/13/57/83/374135783.db2.gz QHFOPXBCSPFNTP-KRWDZBQOSA-N 1 1 286.419 3.260 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)C[C@H](O)[C@H](C)c1ccccc1 ZINC000450463578 374146319 /nfs/dbraw/zinc/14/63/19/374146319.db2.gz QDZXXENXGXWDKS-AEFFLSMTSA-N 1 1 288.435 3.413 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1cnoc1C ZINC000181662883 374151568 /nfs/dbraw/zinc/15/15/68/374151568.db2.gz IDUKFHAYYKDAIE-UHFFFAOYSA-N 1 1 256.349 3.214 20 30 CGEDMO N#Cc1ccccc1C[NH+]1CCC(C(F)F)CC1 ZINC000307873693 374155220 /nfs/dbraw/zinc/15/52/20/374155220.db2.gz AZDZHGKRUOVXRA-UHFFFAOYSA-N 1 1 250.292 3.035 20 30 CGEDMO C=CCC[C@H]([NH2+]Cc1cn(CC2CC2)nn1)c1ccccc1 ZINC000450681851 374170964 /nfs/dbraw/zinc/17/09/64/374170964.db2.gz OJNARHDYJSAHBQ-SFHVURJKSA-N 1 1 296.418 3.485 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCCOC(C)(C)C1 ZINC000311101281 374233583 /nfs/dbraw/zinc/23/35/83/374233583.db2.gz PVMNWYLXPADMLF-UHFFFAOYSA-N 1 1 252.402 3.207 20 30 CGEDMO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000183258396 374392400 /nfs/dbraw/zinc/39/24/00/374392400.db2.gz LUIZNVCFGZGXRQ-UHFFFAOYSA-N 1 1 295.342 3.407 20 30 CGEDMO N#CC1(C[N@H+]2CCSC3(CCCCC3)C2)CC1 ZINC000334419589 374736037 /nfs/dbraw/zinc/73/60/37/374736037.db2.gz SKLFIGGFIUZGDK-UHFFFAOYSA-N 1 1 250.411 3.042 20 30 CGEDMO C=CCC1(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CCCC1 ZINC000334565654 374864943 /nfs/dbraw/zinc/86/49/43/374864943.db2.gz QBTCRSRZQUNYMG-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO N#C[C@@H]1CC[C@H](N2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC000334558098 374856434 /nfs/dbraw/zinc/85/64/34/374856434.db2.gz JYKRGGIZDLFOIO-MSOLQXFVSA-N 1 1 289.467 3.267 20 30 CGEDMO CCOC[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000187039901 374960671 /nfs/dbraw/zinc/96/06/71/374960671.db2.gz AOZVCMSMFXIWLA-ZDUSSCGKSA-N 1 1 292.810 3.460 20 30 CGEDMO CCOC[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000187039901 374960677 /nfs/dbraw/zinc/96/06/77/374960677.db2.gz AOZVCMSMFXIWLA-ZDUSSCGKSA-N 1 1 292.810 3.460 20 30 CGEDMO CO[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)CC[C@H]1C ZINC000467284192 374974197 /nfs/dbraw/zinc/97/41/97/374974197.db2.gz ORKKYQSBCWIOCN-CZUORRHYSA-N 1 1 277.795 3.048 20 30 CGEDMO CO[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)CC[C@H]1C ZINC000467284192 374974204 /nfs/dbraw/zinc/97/42/04/374974204.db2.gz ORKKYQSBCWIOCN-CZUORRHYSA-N 1 1 277.795 3.048 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCc1ccncc1 ZINC000187721850 375080785 /nfs/dbraw/zinc/08/07/85/375080785.db2.gz SHDDOYVQKLPSNF-CQSZACIVSA-N 1 1 265.360 3.189 20 30 CGEDMO C=C(C)[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccc(F)c(F)c1 ZINC000187790400 375094698 /nfs/dbraw/zinc/09/46/98/375094698.db2.gz UBUSPSVAZKHVPK-NWDGAFQWSA-N 1 1 295.251 3.095 20 30 CGEDMO CC1(C#N)CCC([NH2+]CC2(N)CCCCCC2)CC1 ZINC000335059768 375098581 /nfs/dbraw/zinc/09/85/81/375098581.db2.gz PIGCSRKEVKRDDZ-UHFFFAOYSA-N 1 1 263.429 3.100 20 30 CGEDMO C=CCCC[N@H+](C)C1(C(=O)OCC)CCCCC1 ZINC000478037301 375147240 /nfs/dbraw/zinc/14/72/40/375147240.db2.gz ZGRPCNODUCBQEM-UHFFFAOYSA-N 1 1 253.386 3.150 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCOC[C@@]2(C)CC)cc1 ZINC000482510945 375169885 /nfs/dbraw/zinc/16/98/85/375169885.db2.gz NNNQAPDEGKMWRC-QGZVFWFLSA-N 1 1 275.392 3.252 20 30 CGEDMO Cc1cc(C)c2c(c1)C[N@@H+](Cc1ccc(C#N)o1)CC2 ZINC000188663398 375248946 /nfs/dbraw/zinc/24/89/46/375248946.db2.gz OVDLRLBWYHZGFB-UHFFFAOYSA-N 1 1 266.344 3.326 20 30 CGEDMO Cc1cc(C)c2c(c1)C[N@H+](Cc1ccc(C#N)o1)CC2 ZINC000188663398 375248951 /nfs/dbraw/zinc/24/89/51/375248951.db2.gz OVDLRLBWYHZGFB-UHFFFAOYSA-N 1 1 266.344 3.326 20 30 CGEDMO CCOc1ccc2c(c1)CC[N@@H+](CC#Cc1ccccc1)C2 ZINC000484099141 375187053 /nfs/dbraw/zinc/18/70/53/375187053.db2.gz UNDOMWFMRQDGEG-UHFFFAOYSA-N 1 1 291.394 3.495 20 30 CGEDMO CCOc1ccc2c(c1)CC[N@H+](CC#Cc1ccccc1)C2 ZINC000484099141 375187060 /nfs/dbraw/zinc/18/70/60/375187060.db2.gz UNDOMWFMRQDGEG-UHFFFAOYSA-N 1 1 291.394 3.495 20 30 CGEDMO COCC[N@@H+](CC#Cc1ccc(F)cc1)[C@@H]1CC[C@@H](C)C1 ZINC000484871226 375189649 /nfs/dbraw/zinc/18/96/49/375189649.db2.gz MINVMXQZZAOYQP-CRAIPNDOSA-N 1 1 289.394 3.314 20 30 CGEDMO C=CC[N@@H+](CC(=O)c1cccn1C)CC1CCCCC1 ZINC000484482923 375189772 /nfs/dbraw/zinc/18/97/72/375189772.db2.gz BBFQLGLAWGHDRM-UHFFFAOYSA-N 1 1 274.408 3.276 20 30 CGEDMO C=CC[N@H+](CC(=O)c1cccn1C)CC1CCCCC1 ZINC000484482923 375189777 /nfs/dbraw/zinc/18/97/77/375189777.db2.gz BBFQLGLAWGHDRM-UHFFFAOYSA-N 1 1 274.408 3.276 20 30 CGEDMO C=CC[C@H](C(=O)N1CC[C@@H]2CC[C@H](C1)[N@H+]2C)c1ccccc1 ZINC000188363179 375203148 /nfs/dbraw/zinc/20/31/48/375203148.db2.gz KROZBQBFJQLCCD-KSZLIROESA-N 1 1 298.430 3.041 20 30 CGEDMO COC[C@H]1CCCC[N@@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000488003588 375293549 /nfs/dbraw/zinc/29/35/49/375293549.db2.gz STWFOQNIUGOVMM-INIZCTEOSA-N 1 1 272.392 3.115 20 30 CGEDMO C=CCCC[N@@H+](C)Cc1noc(-c2ccc(F)cc2F)n1 ZINC000189038476 375314736 /nfs/dbraw/zinc/31/47/36/375314736.db2.gz CQQZIOTXZGSZET-UHFFFAOYSA-N 1 1 293.317 3.413 20 30 CGEDMO C=CCCC[N@H+](C)Cc1noc(-c2ccc(F)cc2F)n1 ZINC000189038476 375314746 /nfs/dbraw/zinc/31/47/46/375314746.db2.gz CQQZIOTXZGSZET-UHFFFAOYSA-N 1 1 293.317 3.413 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000097861636 541994957 /nfs/dbraw/zinc/99/49/57/541994957.db2.gz AWLYWQHITJIMQO-OAHLLOKOSA-N 1 1 253.349 3.325 20 30 CGEDMO C[C@]12CC[N@H+](Cc3cccc(C#N)c3F)C[C@H]1C2(F)F ZINC000335740402 375391179 /nfs/dbraw/zinc/39/11/79/375391179.db2.gz YKLNTHFQCPXLDG-OCCSQVGLSA-N 1 1 280.293 3.174 20 30 CGEDMO C[C@]12CC[N@@H+](Cc3cccc(C#N)c3F)C[C@H]1C2(F)F ZINC000335740402 375391183 /nfs/dbraw/zinc/39/11/83/375391183.db2.gz YKLNTHFQCPXLDG-OCCSQVGLSA-N 1 1 280.293 3.174 20 30 CGEDMO C#CCC[N@H+](CCC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000494065227 375484965 /nfs/dbraw/zinc/48/49/65/375484965.db2.gz MNWPTWTZNUOZDF-UHFFFAOYSA-N 1 1 294.439 3.121 20 30 CGEDMO C=C[C@H]1CCCCN1C(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC000495231312 375499125 /nfs/dbraw/zinc/49/91/25/375499125.db2.gz OLGYKGLAOBRZQG-HOTGVXAUSA-N 1 1 293.455 3.001 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)c1 ZINC000289482504 197368615 /nfs/dbraw/zinc/36/86/15/197368615.db2.gz IIOULKDYGWFMGQ-IRXDYDNUSA-N 1 1 282.387 3.092 20 30 CGEDMO CCC[C@H]1[C@H](C)CCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191414957 375625427 /nfs/dbraw/zinc/62/54/27/375625427.db2.gz LZBZIBOYWTUKJU-CJNGLKHVSA-N 1 1 259.397 3.297 20 30 CGEDMO C=CCCc1ccccc1NC(=O)C[N@H+](C)CCC ZINC000504267313 375653645 /nfs/dbraw/zinc/65/36/45/375653645.db2.gz ZDDMRUSMOHMYQX-UHFFFAOYSA-N 1 1 260.381 3.086 20 30 CGEDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192076825 375695804 /nfs/dbraw/zinc/69/58/04/375695804.db2.gz MUIHOUVJBOUFDC-ZDUSSCGKSA-N 1 1 298.361 3.466 20 30 CGEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC000192137259 375702047 /nfs/dbraw/zinc/70/20/47/375702047.db2.gz SZRVYUGEEHYEQH-QGZVFWFLSA-N 1 1 279.387 3.215 20 30 CGEDMO N#Cc1ccc(C[N@H+](Cc2ccccn2)C2CC2)cc1F ZINC000192144195 375702964 /nfs/dbraw/zinc/70/29/64/375702964.db2.gz QKLPAFQSFGCPLU-UHFFFAOYSA-N 1 1 281.334 3.257 20 30 CGEDMO N#Cc1ccc(C[N@@H+](Cc2ccccn2)C2CC2)cc1F ZINC000192144195 375702967 /nfs/dbraw/zinc/70/29/67/375702967.db2.gz QKLPAFQSFGCPLU-UHFFFAOYSA-N 1 1 281.334 3.257 20 30 CGEDMO C[N@@H+](CCC1CCCCC1)CC(=O)Nc1cccc(C#N)c1 ZINC000507619496 375717445 /nfs/dbraw/zinc/71/74/45/375717445.db2.gz YKMPPMYRLJDMFP-UHFFFAOYSA-N 1 1 299.418 3.399 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+](CCOC)CC(C)C ZINC000508531774 375749071 /nfs/dbraw/zinc/74/90/71/375749071.db2.gz AAOGCHNVZKNNEK-UHFFFAOYSA-N 1 1 277.408 3.356 20 30 CGEDMO C=C(C)CC[N@H+](CCC)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000509670069 375781729 /nfs/dbraw/zinc/78/17/29/375781729.db2.gz IQQHGJRQANIJNI-ZNMIVQPWSA-N 1 1 251.414 3.478 20 30 CGEDMO C=C(C)CC[N@@H+](CC(=O)OC(C)(C)C)[C@@H](C)CC ZINC000509032103 375768393 /nfs/dbraw/zinc/76/83/93/375768393.db2.gz MAFFTYDMIYIOPH-ZDUSSCGKSA-N 1 1 255.402 3.395 20 30 CGEDMO N#CC1(C[N@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)CC1 ZINC000336338265 375779568 /nfs/dbraw/zinc/77/95/68/375779568.db2.gz FOIUDYDPGCXXJA-GFCCVEGCSA-N 1 1 299.349 3.450 20 30 CGEDMO N#CC1(C[N@@H+]2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)CC1 ZINC000336338265 375779572 /nfs/dbraw/zinc/77/95/72/375779572.db2.gz FOIUDYDPGCXXJA-GFCCVEGCSA-N 1 1 299.349 3.450 20 30 CGEDMO CC1(C)C[N@H+](Cc2cccc(C#N)c2F)[C@H]1[C@H]1CCCO1 ZINC000336395117 375786956 /nfs/dbraw/zinc/78/69/56/375786956.db2.gz FSZVRKNVLGUOBT-ZBFHGGJFSA-N 1 1 288.366 3.087 20 30 CGEDMO CC1(C)C[N@@H+](Cc2cccc(C#N)c2F)[C@H]1[C@H]1CCCO1 ZINC000336395117 375786960 /nfs/dbraw/zinc/78/69/60/375786960.db2.gz FSZVRKNVLGUOBT-ZBFHGGJFSA-N 1 1 288.366 3.087 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000511640279 375791142 /nfs/dbraw/zinc/79/11/42/375791142.db2.gz LPVJOGKMDPTBCS-YNEHKIRRSA-N 1 1 279.346 3.224 20 30 CGEDMO Cc1cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@@H]2C)ccc1C#N ZINC000336546573 375823442 /nfs/dbraw/zinc/82/34/42/375823442.db2.gz YRFHJBQSPKPOAV-SWLSCSKDSA-N 1 1 271.364 3.002 20 30 CGEDMO CC(C)[N@H+](CC(=O)Nc1cccc(C#N)c1)CC1CCC1 ZINC000193214163 375842320 /nfs/dbraw/zinc/84/23/20/375842320.db2.gz HDZLEHGLEKIOCB-UHFFFAOYSA-N 1 1 285.391 3.007 20 30 CGEDMO Cc1ccc([C@H]2CC[N@@H+](C[C@@H](O)CC3(C#N)CC3)C2)c(C)c1 ZINC000528485122 375903733 /nfs/dbraw/zinc/90/37/33/375903733.db2.gz KBLCKUSTFNWSJX-IRXDYDNUSA-N 1 1 298.430 3.148 20 30 CGEDMO CCC[N@H+](Cc1ccc(OC)c(C#N)c1)CC(C)C ZINC000336814275 375968978 /nfs/dbraw/zinc/96/89/78/375968978.db2.gz WQSGXQNJLKTRBO-UHFFFAOYSA-N 1 1 260.381 3.435 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCc2cccc(F)c2[C@H]1C ZINC000532378403 375951192 /nfs/dbraw/zinc/95/11/92/375951192.db2.gz VGKKSKSIWHUZCJ-OCCSQVGLSA-N 1 1 263.356 3.072 20 30 CGEDMO CCCC[N@@H+](Cc1cccc(C(=O)OC)c1C#N)C1CC1 ZINC000535227967 376030964 /nfs/dbraw/zinc/03/09/64/376030964.db2.gz YIDYRIKXPKYHLJ-UHFFFAOYSA-N 1 1 286.375 3.109 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+](Cc2ccc(CC)cc2)C2CC2)C1=O ZINC000337129969 376089290 /nfs/dbraw/zinc/08/92/90/376089290.db2.gz JLMMCUNOQJIVLY-SFHVURJKSA-N 1 1 298.430 3.000 20 30 CGEDMO C=CCN1CC[C@H]([N@H+](CC)[C@H](CC)c2ccccc2)C1=O ZINC000337137573 376094089 /nfs/dbraw/zinc/09/40/89/376094089.db2.gz OFZASQHMXCHUSY-SJORKVTESA-N 1 1 286.419 3.247 20 30 CGEDMO C=CCN1CC[C@H]([N@H+](C2CC2)C2CCC(CC)CC2)C1=O ZINC000337146842 376101041 /nfs/dbraw/zinc/10/10/41/376101041.db2.gz YRIXYGCAPUFSOI-DQPZFDDXSA-N 1 1 290.451 3.207 20 30 CGEDMO C=C(Br)C[NH+]1CCC(OC2CCCC2)CC1 ZINC000195433723 376101432 /nfs/dbraw/zinc/10/14/32/376101432.db2.gz BNIQOTMVYYNGAT-UHFFFAOYSA-N 1 1 288.229 3.319 20 30 CGEDMO CC[C@H]1[C@H](C)CC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000337214898 376143544 /nfs/dbraw/zinc/14/35/44/376143544.db2.gz XWSHJPGCPYYIEA-CABCVRRESA-N 1 1 264.413 3.207 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000537636091 376187192 /nfs/dbraw/zinc/18/71/92/376187192.db2.gz KRQROMXJZJINGQ-CYBMUJFWSA-N 1 1 275.392 3.417 20 30 CGEDMO C[N@@H+](CCc1cccs1)Cc1cccc(C#N)c1F ZINC000223548344 376257075 /nfs/dbraw/zinc/25/70/75/376257075.db2.gz UZLXTBXECSKNKN-UHFFFAOYSA-N 1 1 274.364 3.433 20 30 CGEDMO C=C[C@@H](CC(=O)NCCCn1cc[nH+]c1C)c1ccccc1 ZINC000338178457 376274502 /nfs/dbraw/zinc/27/45/02/376274502.db2.gz SSAYJWYURLKLTH-INIZCTEOSA-N 1 1 297.402 3.058 20 30 CGEDMO Cc1cn2cc(Nc3ccc([N+](=O)[O-])cc3C#N)ccc2[nH+]1 ZINC000338274796 376306734 /nfs/dbraw/zinc/30/67/34/376306734.db2.gz HXLBYVRPPXFUAL-UHFFFAOYSA-N 1 1 293.286 3.166 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000539433953 376311185 /nfs/dbraw/zinc/31/11/85/376311185.db2.gz VQUBZGPFWDLUBD-JYJNAYRXSA-N 1 1 295.471 3.293 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000539104573 376294517 /nfs/dbraw/zinc/29/45/17/376294517.db2.gz MJXFSXWDGOZHQI-CQSZACIVSA-N 1 1 267.413 3.396 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+](C)CC(=O)NCc1cccs1 ZINC000539250180 376302374 /nfs/dbraw/zinc/30/23/74/376302374.db2.gz FPDYKPZDYUBLND-ZDUSSCGKSA-N 1 1 280.437 3.041 20 30 CGEDMO C=C(C)C[NH2+][C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000541687131 376471692 /nfs/dbraw/zinc/47/16/92/376471692.db2.gz KZSONSGRWXMKCH-LLVKDONJSA-N 1 1 275.327 3.411 20 30 CGEDMO CC[N@@H+](CCCCC(C)(C)C#N)C[C@@H]1CCCO1 ZINC000233443545 376598340 /nfs/dbraw/zinc/59/83/40/376598340.db2.gz DGSNNPQAWNUPNW-AWEZNQCLSA-N 1 1 252.402 3.207 20 30 CGEDMO Clc1ccccc1C#CC[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000134997385 542084612 /nfs/dbraw/zinc/08/46/12/542084612.db2.gz QRYNADPPPCCKQO-HNNXBMFYSA-N 1 1 299.805 3.294 20 30 CGEDMO Clc1ccccc1C#CC[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000134997385 542084614 /nfs/dbraw/zinc/08/46/14/542084614.db2.gz QRYNADPPPCCKQO-HNNXBMFYSA-N 1 1 299.805 3.294 20 30 CGEDMO C[C@@H]1CC[C@@H]([N@@H+](C)CCOc2cccc(C#N)c2)C1 ZINC000338995609 376618899 /nfs/dbraw/zinc/61/88/99/376618899.db2.gz NIOOTHBLDGYWOM-UKRRQHHQSA-N 1 1 258.365 3.057 20 30 CGEDMO C=CCOCC[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000339175052 376726152 /nfs/dbraw/zinc/72/61/52/376726152.db2.gz XRHBNCHISVCOBD-LBPRGKRZSA-N 1 1 277.330 3.244 20 30 CGEDMO C=CCOCCC[N@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000339443525 376756064 /nfs/dbraw/zinc/75/60/64/376756064.db2.gz VWTRQTKGINERLD-CYBMUJFWSA-N 1 1 295.345 3.011 20 30 CGEDMO C=CCOCCC[N@@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000339443525 376756076 /nfs/dbraw/zinc/75/60/76/376756076.db2.gz VWTRQTKGINERLD-CYBMUJFWSA-N 1 1 295.345 3.011 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@@H](OCC)C2)c1 ZINC000155468116 542123778 /nfs/dbraw/zinc/12/37/78/542123778.db2.gz DFXWAXUAXJPVDT-QGZVFWFLSA-N 1 1 275.392 3.252 20 30 CGEDMO N#Cc1ccc(OCC[N@H+]2CC[C@@H](CC3CC3)C2)cc1 ZINC000339675437 376800682 /nfs/dbraw/zinc/80/06/82/376800682.db2.gz WVRGZIJWOZAGNY-INIZCTEOSA-N 1 1 270.376 3.059 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](CC3CC3)C2)cc1F ZINC000339682600 376809631 /nfs/dbraw/zinc/80/96/31/376809631.db2.gz KOTDETGUXLTZNN-AWEZNQCLSA-N 1 1 258.340 3.319 20 30 CGEDMO C=CCOCCC[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000339709435 376817921 /nfs/dbraw/zinc/81/79/21/376817921.db2.gz UGIWSBSRNDSSCH-INIZCTEOSA-N 1 1 295.810 3.306 20 30 CGEDMO C=CCOCCC[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000339709435 376817914 /nfs/dbraw/zinc/81/79/14/376817914.db2.gz UGIWSBSRNDSSCH-INIZCTEOSA-N 1 1 295.810 3.306 20 30 CGEDMO CCCC[N@@H+](CC(=O)N(CC)CCC#N)C1CCCCC1 ZINC000339796412 376852016 /nfs/dbraw/zinc/85/20/16/376852016.db2.gz PECUCUYSCFCQAU-UHFFFAOYSA-N 1 1 293.455 3.183 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@@H]1CN(C)Cc1ccc(C#N)cc1 ZINC000340287655 376985316 /nfs/dbraw/zinc/98/53/16/376985316.db2.gz WYCFLCHEMXYXOY-GOSISDBHSA-N 1 1 285.435 3.253 20 30 CGEDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1C[C@@H](C#N)CCC#N ZINC000246218378 376991890 /nfs/dbraw/zinc/99/18/90/376991890.db2.gz ZBPOWXRRBRKEAI-INMHGKMJSA-N 1 1 267.376 3.308 20 30 CGEDMO N#Cc1ccc(CN2CCC[N@H+]([C@@H]3C=CCCC3)CC2)cc1 ZINC000246237665 376996191 /nfs/dbraw/zinc/99/61/91/376996191.db2.gz IMQXGFXKUQSIHN-LJQANCHMSA-N 1 1 295.430 3.175 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000247350843 377197515 /nfs/dbraw/zinc/19/75/15/377197515.db2.gz JWBPSHFTMFGTTI-ZWKOTPCHSA-N 1 1 288.435 3.217 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)[C@H]1CCSC1 ZINC000340728358 377239436 /nfs/dbraw/zinc/23/94/36/377239436.db2.gz XLYBNJBQFANMKP-LBPRGKRZSA-N 1 1 298.358 3.097 20 30 CGEDMO COc1ccc2c(c1)CC[N@H+](Cc1cccc(C#N)c1)CC2 ZINC000340734306 377241605 /nfs/dbraw/zinc/24/16/05/377241605.db2.gz AMNPANZHARJRHT-UHFFFAOYSA-N 1 1 292.382 3.168 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCSC[C@H]1c1ccc(C)cc1 ZINC000247431637 377203464 /nfs/dbraw/zinc/20/34/64/377203464.db2.gz NTVSLUUPASHYRD-IRXDYDNUSA-N 1 1 291.460 3.412 20 30 CGEDMO C=CCN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248174458 377277282 /nfs/dbraw/zinc/27/72/82/377277282.db2.gz VJOGCYMZOWDWCQ-ROUUACIJSA-N 1 1 270.420 3.159 20 30 CGEDMO C=CCN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248174458 377277289 /nfs/dbraw/zinc/27/72/89/377277289.db2.gz VJOGCYMZOWDWCQ-ROUUACIJSA-N 1 1 270.420 3.159 20 30 CGEDMO CCCC[N@@H+](C)C[C@@H](C)Nc1ccc(C#N)cc1F ZINC000562236802 377283504 /nfs/dbraw/zinc/28/35/04/377283504.db2.gz LIHPQDFMFXAGTM-GFCCVEGCSA-N 1 1 263.360 3.230 20 30 CGEDMO C#CCCNc1[nH+]cnc2c1c(C)c(C)n2Cc1ccco1 ZINC000264915504 190143959 /nfs/dbraw/zinc/14/39/59/190143959.db2.gz GOESHDKNYXMFEL-UHFFFAOYSA-N 1 1 294.358 3.125 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000248610165 377364321 /nfs/dbraw/zinc/36/43/21/377364321.db2.gz FTUHDTJLZPPSIM-JKSUJKDBSA-N 1 1 280.456 3.217 20 30 CGEDMO CCCC[N@@H+](C)C[C@H](C)Nc1ncc(C#N)cc1Cl ZINC000341131740 377411933 /nfs/dbraw/zinc/41/19/33/377411933.db2.gz VJOOSBBKOGRYCF-NSHDSACASA-N 1 1 280.803 3.139 20 30 CGEDMO CC[C@]1(C)C[N@H+]([C@H](C)c2ccc(C#N)cc2)CCO1 ZINC000248878822 377417658 /nfs/dbraw/zinc/41/76/58/377417658.db2.gz CUJPONNHAJSFOM-CZUORRHYSA-N 1 1 258.365 3.120 20 30 CGEDMO C=CC[C@H](CC)NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000566982100 377502122 /nfs/dbraw/zinc/50/21/22/377502122.db2.gz QWTCEVXUTWNDCJ-LSDHHAIUSA-N 1 1 294.826 3.414 20 30 CGEDMO C[C@H]([NH2+]Cc1cc(C#N)cs1)c1ccccc1[N+](=O)[O-] ZINC000341312996 377502505 /nfs/dbraw/zinc/50/25/05/377502505.db2.gz RUNZBGIDOHUINJ-JTQLQIEISA-N 1 1 287.344 3.379 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000249433173 377503390 /nfs/dbraw/zinc/50/33/90/377503390.db2.gz HTARFPVRFNWYLY-CZUORRHYSA-N 1 1 280.375 3.222 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000249433173 377503393 /nfs/dbraw/zinc/50/33/93/377503393.db2.gz HTARFPVRFNWYLY-CZUORRHYSA-N 1 1 280.375 3.222 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000249433173 377503397 /nfs/dbraw/zinc/50/33/97/377503397.db2.gz HTARFPVRFNWYLY-CZUORRHYSA-N 1 1 280.375 3.222 20 30 CGEDMO C=CC[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000249273282 377484672 /nfs/dbraw/zinc/48/46/72/377484672.db2.gz KROZBQBFJQLCCD-SQNIBIBYSA-N 1 1 298.430 3.041 20 30 CGEDMO Cc1ccc(C[C@H]2CCC[N@@H+](CCOCCC#N)C2)cc1 ZINC000567631105 377508892 /nfs/dbraw/zinc/50/88/92/377508892.db2.gz ZHPYCXARSJNWGM-GOSISDBHSA-N 1 1 286.419 3.180 20 30 CGEDMO CC[C@H](CC#N)[NH2+]C[C@H](OC(C)C)c1ccccc1 ZINC000573546714 377558780 /nfs/dbraw/zinc/55/87/80/377558780.db2.gz QJEVXZXAJDWMOB-CVEARBPZSA-N 1 1 260.381 3.435 20 30 CGEDMO C[C@@H]1CN(c2cccc(C(F)F)c2C#N)C[C@H](C)[N@@H+]1C ZINC000515071736 249200927 /nfs/dbraw/zinc/20/09/27/249200927.db2.gz DBDUSXQXNVTMQG-PHIMTYICSA-N 1 1 279.334 3.025 20 30 CGEDMO CC[C@@H](C)C[N@@H+](CC)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000251658327 377592408 /nfs/dbraw/zinc/59/24/08/377592408.db2.gz BORTWEBTDIHPII-ZIAGYGMSSA-N 1 1 287.407 3.253 20 30 CGEDMO C=CC[N@@H+](Cc1cn(C)nc1CC)Cc1ccccc1 ZINC000179737231 542203472 /nfs/dbraw/zinc/20/34/72/542203472.db2.gz FRMMANJGEUNJQF-UHFFFAOYSA-N 1 1 269.392 3.171 20 30 CGEDMO C=CC[N@H+](Cc1cn(C)nc1CC)Cc1ccccc1 ZINC000179737231 542203474 /nfs/dbraw/zinc/20/34/74/542203474.db2.gz FRMMANJGEUNJQF-UHFFFAOYSA-N 1 1 269.392 3.171 20 30 CGEDMO COc1ccc(-c2ccc(C[NH2+]CCC#N)s2)cc1 ZINC000574071354 377615967 /nfs/dbraw/zinc/61/59/67/377615967.db2.gz FHMAKDOGZLEXCR-UHFFFAOYSA-N 1 1 272.373 3.427 20 30 CGEDMO CC[N@@H+](C)Cc1cccc(CNc2cc(C)nc(C#N)c2)c1 ZINC000341837058 377620354 /nfs/dbraw/zinc/62/03/54/377620354.db2.gz ATBRNTFTKOQUTM-UHFFFAOYSA-N 1 1 294.402 3.326 20 30 CGEDMO CC[C@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000252442706 377622270 /nfs/dbraw/zinc/62/22/70/377622270.db2.gz BAORNBQOBFONAW-CMPLNLGQSA-N 1 1 291.395 3.073 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1Cc2ccccc2C[C@@H]1CC ZINC000342354944 377642767 /nfs/dbraw/zinc/64/27/67/377642767.db2.gz NIETYKORTHQEJY-IRXDYDNUSA-N 1 1 259.393 3.150 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)Cc1ccc(OC)cn1 ZINC000342412419 377647071 /nfs/dbraw/zinc/64/70/71/377647071.db2.gz XTZOKYGNZFFZGD-UHFFFAOYSA-N 1 1 268.360 3.278 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc(OC)cn1 ZINC000342412419 377647075 /nfs/dbraw/zinc/64/70/75/377647075.db2.gz XTZOKYGNZFFZGD-UHFFFAOYSA-N 1 1 268.360 3.278 20 30 CGEDMO C[N@H+](CC#Cc1ccc(Cl)cc1)CC[C@H]1CCCO1 ZINC000342609278 377690425 /nfs/dbraw/zinc/69/04/25/377690425.db2.gz UWTLZALKJXNCMV-MRXNPFEDSA-N 1 1 277.795 3.192 20 30 CGEDMO C[C@H](C[NH+]1CCC(C)CC1)N[C@H]1CCc2ccc(C#N)cc21 ZINC000574585010 377683344 /nfs/dbraw/zinc/68/33/44/377683344.db2.gz PIGWEHIREBXEPK-BEFAXECRSA-N 1 1 297.446 3.256 20 30 CGEDMO C[C@@]1(Cc2ccccc2)CCC[N@H+]1CC1(C#N)CC1 ZINC000342678835 377728668 /nfs/dbraw/zinc/72/86/68/377728668.db2.gz LIRFKNQKIVZSLY-INIZCTEOSA-N 1 1 254.377 3.387 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc(CC#N)cc1)C1CCOCC1 ZINC000342762750 377777824 /nfs/dbraw/zinc/77/78/24/377777824.db2.gz WQOSLDZJHXYXJG-UHFFFAOYSA-N 1 1 272.392 3.142 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000342719371 377753115 /nfs/dbraw/zinc/75/31/15/377753115.db2.gz IRVSNIUCBPAEMA-ZIAGYGMSSA-N 1 1 292.448 3.308 20 30 CGEDMO C[C@H]([NH2+]CC#Cc1ccc(Cl)cc1)c1ccccn1 ZINC000181775809 542220854 /nfs/dbraw/zinc/22/08/54/542220854.db2.gz HEXGGSQZUCHPKO-ZDUSSCGKSA-N 1 1 270.763 3.437 20 30 CGEDMO C=CCC[N@@H+](C)CCCCCn1nnc(-c2ccccc2)n1 ZINC000342733244 377762598 /nfs/dbraw/zinc/76/25/98/377762598.db2.gz MOVXMFKIHNKETI-UHFFFAOYSA-N 1 1 299.422 3.018 20 30 CGEDMO C=CCC[N@@H+](C)CC(=O)c1cc(C)n(CCC)c1C ZINC000342738128 377766674 /nfs/dbraw/zinc/76/66/74/377766674.db2.gz SGCKEIMQIBLVSE-UHFFFAOYSA-N 1 1 262.397 3.206 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)c1cc(C)n(CCC)c1C ZINC000342738128 377766676 /nfs/dbraw/zinc/76/66/76/377766676.db2.gz SGCKEIMQIBLVSE-UHFFFAOYSA-N 1 1 262.397 3.206 20 30 CGEDMO CCc1nc(N[C@H](CCC#N)c2ccccc2)cc(C)[nH+]1 ZINC000342777688 377785094 /nfs/dbraw/zinc/78/50/94/377785094.db2.gz JKJPCELRZPCKOZ-OAHLLOKOSA-N 1 1 280.375 3.226 20 30 CGEDMO C[N@H+](Cc1cccc(Br)c1)CC1(C#N)CC1 ZINC000259001339 377801547 /nfs/dbraw/zinc/80/15/47/377801547.db2.gz WLPTXZARORXHFY-UHFFFAOYSA-N 1 1 279.181 3.185 20 30 CGEDMO C[N@@H+](Cc1cccc(Br)c1)CC1(C#N)CC1 ZINC000259001339 377801557 /nfs/dbraw/zinc/80/15/57/377801557.db2.gz WLPTXZARORXHFY-UHFFFAOYSA-N 1 1 279.181 3.185 20 30 CGEDMO CC(C)C[C@@]1(C)CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000575327024 377878865 /nfs/dbraw/zinc/87/88/65/377878865.db2.gz MZNNFRZCEPETLU-MRXNPFEDSA-N 1 1 257.381 3.354 20 30 CGEDMO Cc1nc2ccc(NC(=O)c3cscc3C#N)cc2[nH]1 ZINC000343064807 377891281 /nfs/dbraw/zinc/89/12/81/377891281.db2.gz NAZDDHNQPJVTLM-UHFFFAOYSA-N 1 1 282.328 3.057 20 30 CGEDMO Cc1ccnc(NCC(C)(C)[N@H+]2CCC[C@H](C)C2)c1C#N ZINC000343527797 378008295 /nfs/dbraw/zinc/00/82/95/378008295.db2.gz LXJNTSPOZTWHSX-ZDUSSCGKSA-N 1 1 286.423 3.184 20 30 CGEDMO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(CC#N)cc2)C[C@@H]1C ZINC000343539796 378013231 /nfs/dbraw/zinc/01/32/31/378013231.db2.gz QCQXFUCKVZCCIO-MAUKXSAKSA-N 1 1 285.435 3.057 20 30 CGEDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(CC#N)cc2)C[C@@H]1C ZINC000343539796 378013237 /nfs/dbraw/zinc/01/32/37/378013237.db2.gz QCQXFUCKVZCCIO-MAUKXSAKSA-N 1 1 285.435 3.057 20 30 CGEDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(CC#N)cc2)C[C@@H]1C ZINC000343539796 378013243 /nfs/dbraw/zinc/01/32/43/378013243.db2.gz QCQXFUCKVZCCIO-MAUKXSAKSA-N 1 1 285.435 3.057 20 30 CGEDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(CC#N)cc2)C[C@@H]1C ZINC000343539796 378013248 /nfs/dbraw/zinc/01/32/48/378013248.db2.gz QCQXFUCKVZCCIO-MAUKXSAKSA-N 1 1 285.435 3.057 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+](CCC)C2CC2)c1C ZINC000343383871 377966000 /nfs/dbraw/zinc/96/60/00/377966000.db2.gz VCHNZGBOOGKDGK-UHFFFAOYSA-N 1 1 274.408 3.348 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@H+](CCC)C2CC2)c1C ZINC000343383871 377966005 /nfs/dbraw/zinc/96/60/05/377966005.db2.gz VCHNZGBOOGKDGK-UHFFFAOYSA-N 1 1 274.408 3.348 20 30 CGEDMO CSCC[C@@H](C)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000265511964 378004802 /nfs/dbraw/zinc/00/48/02/378004802.db2.gz PPDLVOFCZMIWSS-CYBMUJFWSA-N 1 1 278.421 3.162 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](CC(=O)OC)[C@H](C)CC)c1 ZINC000343599032 378033890 /nfs/dbraw/zinc/03/38/90/378033890.db2.gz GPMLMIWOEKZVOM-CQSZACIVSA-N 1 1 291.391 3.025 20 30 CGEDMO C=CCOc1cccc(C[N@H+](CC(=O)OC)[C@H](C)CC)c1 ZINC000343599032 378033894 /nfs/dbraw/zinc/03/38/94/378033894.db2.gz GPMLMIWOEKZVOM-CQSZACIVSA-N 1 1 291.391 3.025 20 30 CGEDMO CC[C@H](C)C[N@@H+](CC)Cc1ccc(OCC#N)cc1 ZINC000267377100 378037826 /nfs/dbraw/zinc/03/78/26/378037826.db2.gz TXRLDORKIHNRCA-AWEZNQCLSA-N 1 1 260.381 3.457 20 30 CGEDMO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CCCC#N ZINC000267762464 378043702 /nfs/dbraw/zinc/04/37/02/378043702.db2.gz FRNTWFTYPKRDHY-HNNXBMFYSA-N 1 1 268.364 3.014 20 30 CGEDMO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCCC#N ZINC000267762464 378043705 /nfs/dbraw/zinc/04/37/05/378043705.db2.gz FRNTWFTYPKRDHY-HNNXBMFYSA-N 1 1 268.364 3.014 20 30 CGEDMO C=CCN1CC[C@@H]([N@@H+](C)CCC2CCCCCC2)C1=O ZINC000578263363 378053467 /nfs/dbraw/zinc/05/34/67/378053467.db2.gz AUGIBKNRTQNMLU-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCOCCC[N@H+](C)C1CCN(c2ccccc2)CC1 ZINC000343760990 378084716 /nfs/dbraw/zinc/08/47/16/378084716.db2.gz BSOKSXARBZZNEY-UHFFFAOYSA-N 1 1 288.435 3.180 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000268676450 378090074 /nfs/dbraw/zinc/09/00/74/378090074.db2.gz VYRDKNTWMXTWAM-CVEARBPZSA-N 1 1 263.356 3.290 20 30 CGEDMO Cc1ccnc([C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)c1 ZINC000582070866 378284202 /nfs/dbraw/zinc/28/42/02/378284202.db2.gz AIIHZSFPUUJQSY-OAHLLOKOSA-N 1 1 295.361 3.390 20 30 CGEDMO N#Cc1cccc(C2([NH2+]Cc3csc([N+](=O)[O-])c3)CC2)c1 ZINC000269591422 378239498 /nfs/dbraw/zinc/23/94/98/378239498.db2.gz DIZJEVYYZKHBOW-UHFFFAOYSA-N 1 1 299.355 3.307 20 30 CGEDMO C=CCC(C)(C)CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000582345558 378306520 /nfs/dbraw/zinc/30/65/20/378306520.db2.gz CLOMTYSKIKRZQX-UHFFFAOYSA-N 1 1 295.471 3.105 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CC=C(C(F)(F)F)CC2)cc1 ZINC000270319926 378334373 /nfs/dbraw/zinc/33/43/73/378334373.db2.gz RBFKWTZGFNZLIO-UHFFFAOYSA-N 1 1 296.292 3.283 20 30 CGEDMO N#CCOc1ccc(C[N@@H+]2CC=C(C(F)(F)F)CC2)cc1 ZINC000270319926 378334378 /nfs/dbraw/zinc/33/43/78/378334378.db2.gz RBFKWTZGFNZLIO-UHFFFAOYSA-N 1 1 296.292 3.283 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCc2sc(Cl)cc2C1 ZINC000582239285 378295715 /nfs/dbraw/zinc/29/57/15/378295715.db2.gz XBBPXFHWYXLDAP-NSHDSACASA-N 1 1 271.813 3.087 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCc2sc(Cl)cc2C1 ZINC000582239285 378295720 /nfs/dbraw/zinc/29/57/20/378295720.db2.gz XBBPXFHWYXLDAP-NSHDSACASA-N 1 1 271.813 3.087 20 30 CGEDMO C#CCCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000271078468 378449209 /nfs/dbraw/zinc/44/92/09/378449209.db2.gz XPNNKCVQIFRSHP-UHFFFAOYSA-N 1 1 266.728 3.093 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)s1)C[C@H]1OCCc2ccccc21 ZINC000271156615 378464464 /nfs/dbraw/zinc/46/44/64/378464464.db2.gz VWINSFHLGRYULO-QGZVFWFLSA-N 1 1 298.411 3.366 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000270991277 378423794 /nfs/dbraw/zinc/42/37/94/378423794.db2.gz DXQNJSYGFJUEJD-DLBZAZTESA-N 1 1 275.367 3.127 20 30 CGEDMO C#CCCC[N@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000271025392 378429685 /nfs/dbraw/zinc/42/96/85/378429685.db2.gz JWXSAMGPVIYNEF-PKOBYXMFSA-N 1 1 284.447 3.385 20 30 CGEDMO C#CCCC[N@H+](C)Cc1ccccc1N1CCCC1 ZINC000271039953 378435530 /nfs/dbraw/zinc/43/55/30/378435530.db2.gz MRDOMWBDXOEFQK-UHFFFAOYSA-N 1 1 256.393 3.132 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cnccc1C ZINC000272339500 378616075 /nfs/dbraw/zinc/61/60/75/378616075.db2.gz YHOZYJZZWRRKAX-UHFFFAOYSA-N 1 1 256.349 3.214 20 30 CGEDMO C[C@H]([NH2+]CCCCC#N)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272528281 378658346 /nfs/dbraw/zinc/65/83/46/378658346.db2.gz QPXQWDSRJAYNFW-FUHWJXTLSA-N 1 1 285.435 3.180 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](COc3ccccc3)C2)cc1 ZINC000272621906 378677543 /nfs/dbraw/zinc/67/75/43/378677543.db2.gz UWEFCKXVBKBOTC-SFHVURJKSA-N 1 1 292.382 3.459 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1ccc(Br)cc1C#N ZINC000346943698 378698458 /nfs/dbraw/zinc/69/84/58/378698458.db2.gz LZSSJVMQGAYZGW-UHFFFAOYSA-N 1 1 279.181 3.329 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(Br)cc1C#N ZINC000346943698 378698464 /nfs/dbraw/zinc/69/84/64/378698464.db2.gz LZSSJVMQGAYZGW-UHFFFAOYSA-N 1 1 279.181 3.329 20 30 CGEDMO C=CCOCCCN1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000348026634 378757739 /nfs/dbraw/zinc/75/77/39/378757739.db2.gz FGWOYLVQAVQKAH-MSOLQXFVSA-N 1 1 294.483 3.166 20 30 CGEDMO C=CCOCCCN1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000348026634 378757743 /nfs/dbraw/zinc/75/77/43/378757743.db2.gz FGWOYLVQAVQKAH-MSOLQXFVSA-N 1 1 294.483 3.166 20 30 CGEDMO N#CCC[C@@H]([NH2+]Cc1cncc(F)c1)c1ccccc1 ZINC000346968273 378701987 /nfs/dbraw/zinc/70/19/87/378701987.db2.gz PLNVEODQKAZMFT-MRXNPFEDSA-N 1 1 269.323 3.355 20 30 CGEDMO C=CCOCCC[N@@H+](CC)Cc1c(F)cccc1F ZINC000348047341 378765984 /nfs/dbraw/zinc/76/59/84/378765984.db2.gz KDXCCGGBCMVAAZ-UHFFFAOYSA-N 1 1 269.335 3.379 20 30 CGEDMO C=CCOCCC[N@H+](CC)Cc1c(F)cccc1F ZINC000348047341 378765987 /nfs/dbraw/zinc/76/59/87/378765987.db2.gz KDXCCGGBCMVAAZ-UHFFFAOYSA-N 1 1 269.335 3.379 20 30 CGEDMO C=CCOCCC[N@@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000348029197 378758329 /nfs/dbraw/zinc/75/83/29/378758329.db2.gz HYNYHTLRXXBFJE-PBHICJAKSA-N 1 1 293.382 3.180 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@H](c2ccccc2C)C1 ZINC000348026912 378758504 /nfs/dbraw/zinc/75/85/04/378758504.db2.gz AZKSCSLQJDMAFA-INIZCTEOSA-N 1 1 259.393 3.377 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000274790015 378895480 /nfs/dbraw/zinc/89/54/80/378895480.db2.gz NRFXUPFIJMWHLL-OCCSQVGLSA-N 1 1 251.395 3.476 20 30 CGEDMO CCCCCn1cc(C[NH2+]Cc2ccc(C#N)o2)c(C)n1 ZINC000348388736 378937934 /nfs/dbraw/zinc/93/79/34/378937934.db2.gz FYTQRVCAWCVURQ-UHFFFAOYSA-N 1 1 286.379 3.136 20 30 CGEDMO C=CC[C@H](C(=O)NCCCn1cc[nH+]c1C)c1ccccc1 ZINC000275153097 378945460 /nfs/dbraw/zinc/94/54/60/378945460.db2.gz PXNFJZIMZMLECM-KRWDZBQOSA-N 1 1 297.402 3.058 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000347088706 218117937 /nfs/dbraw/zinc/11/79/37/218117937.db2.gz ODYWADLISQAGBM-KSSFIOAISA-N 1 1 293.370 3.168 20 30 CGEDMO C[C@@H]1CCSCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000276750709 378989578 /nfs/dbraw/zinc/98/95/78/378989578.db2.gz FMRXSYIRAFQGQW-LLVKDONJSA-N 1 1 264.369 3.025 20 30 CGEDMO CC[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1ccccc1C#N ZINC000347336503 218196126 /nfs/dbraw/zinc/19/61/26/218196126.db2.gz FRUCRBKTMGHVNN-IBGZPJMESA-N 1 1 294.398 3.331 20 30 CGEDMO C=CC[C@@H](C)[C@H](C)[NH2+]C1CC(N2CCCCC2)C1 ZINC000373494265 379290689 /nfs/dbraw/zinc/29/06/89/379290689.db2.gz JZCXDYUEJUTMOD-QVOMUQBLSA-N 1 1 250.430 3.194 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cnc(CCOC)s2)C1 ZINC000639309076 379257972 /nfs/dbraw/zinc/25/79/72/379257972.db2.gz KHQAWHHAUWTGDO-CYBMUJFWSA-N 1 1 280.437 3.120 20 30 CGEDMO CC[C@@H]([NH2+]Cc1nccs1)c1ccc(C#N)cc1 ZINC000278254018 379328249 /nfs/dbraw/zinc/32/82/49/379328249.db2.gz MYLHVDNRGMDZHQ-CYBMUJFWSA-N 1 1 257.362 3.256 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@H]1C ZINC000347580234 218279967 /nfs/dbraw/zinc/27/99/67/218279967.db2.gz KPGCCEAFVNELKO-CHWSQXEVSA-N 1 1 296.374 3.086 20 30 CGEDMO C[C@@H](c1ccccc1)[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000349542468 379301245 /nfs/dbraw/zinc/30/12/45/379301245.db2.gz MXQCSEWMMVQYQN-AWEZNQCLSA-N 1 1 290.370 3.399 20 30 CGEDMO C=CC[NH+](CC=C)Cc1ccc(C(F)(F)F)cn1 ZINC000278152975 379302296 /nfs/dbraw/zinc/30/22/96/379302296.db2.gz OOTXHBJNLXAKJM-UHFFFAOYSA-N 1 1 256.271 3.274 20 30 CGEDMO COCC[N@H+](Cc1cccs1)Cc1cc(C#N)cs1 ZINC000349578809 379310546 /nfs/dbraw/zinc/31/05/46/379310546.db2.gz RRXUARHHFRIZSS-UHFFFAOYSA-N 1 1 292.429 3.330 20 30 CGEDMO COCC[N@@H+](Cc1cccs1)Cc1cc(C#N)cs1 ZINC000349578809 379310556 /nfs/dbraw/zinc/31/05/56/379310556.db2.gz RRXUARHHFRIZSS-UHFFFAOYSA-N 1 1 292.429 3.330 20 30 CGEDMO Cc1ccc(-c2nc(C[NH2+][C@@H]3CC[C@H](C#N)C3)co2)cc1 ZINC000349792911 379387735 /nfs/dbraw/zinc/38/77/35/379387735.db2.gz SWRZHWNGPWBMEB-DZGCQCFKSA-N 1 1 281.359 3.432 20 30 CGEDMO N#C[C@H]1CC[C@@H]([NH2+]Cc2coc(-c3ccccc3)n2)C1 ZINC000349800262 379390889 /nfs/dbraw/zinc/39/08/89/379390889.db2.gz JAKSKNRNXSEXJF-GXTWGEPZSA-N 1 1 267.332 3.123 20 30 CGEDMO C[C@@]1(c2ccccc2)CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000374268674 379403556 /nfs/dbraw/zinc/40/35/56/379403556.db2.gz FVLSXZDEVNAFFW-QGZVFWFLSA-N 1 1 266.344 3.315 20 30 CGEDMO CC(C)[N@H+](Cc1ccco1)Cc1cnc2ccc(C#N)cn12 ZINC000349836741 379413915 /nfs/dbraw/zinc/41/39/15/379413915.db2.gz BSCUUFJZVWIXMG-UHFFFAOYSA-N 1 1 294.358 3.210 20 30 CGEDMO CC(C)[N@@H+](Cc1ccco1)Cc1cnc2ccc(C#N)cn12 ZINC000349836741 379413926 /nfs/dbraw/zinc/41/39/26/379413926.db2.gz BSCUUFJZVWIXMG-UHFFFAOYSA-N 1 1 294.358 3.210 20 30 CGEDMO COc1ccc2c(c1)CC[N@H+](CCCC(C)(C)C#N)CC2 ZINC000374330461 379422184 /nfs/dbraw/zinc/42/21/84/379422184.db2.gz NUUAYMVSBHHESZ-UHFFFAOYSA-N 1 1 286.419 3.426 20 30 CGEDMO C=CC[N@H+](Cc1cc[nH]c(=O)c1)CC1CCCCC1 ZINC000639487349 379427221 /nfs/dbraw/zinc/42/72/21/379427221.db2.gz LMNZOINUFKLTTG-UHFFFAOYSA-N 1 1 260.381 3.356 20 30 CGEDMO C[C@H](CC1CCOCC1)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000350003407 379475874 /nfs/dbraw/zinc/47/58/74/379475874.db2.gz ANIQRISSGVHABP-OAHLLOKOSA-N 1 1 286.419 3.443 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000279660741 379483955 /nfs/dbraw/zinc/48/39/55/379483955.db2.gz COILIDJBNCXJBU-BBRMVZONSA-N 1 1 272.392 3.366 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)CCCSCC(C)C)n1 ZINC000279662374 379484093 /nfs/dbraw/zinc/48/40/93/379484093.db2.gz CYTSKLQEFICSOM-UHFFFAOYSA-N 1 1 293.480 3.118 20 30 CGEDMO CC(C)(C#N)CCCC[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000375406950 379496601 /nfs/dbraw/zinc/49/66/01/379496601.db2.gz VFSGKSRJKLGKCB-HNNXBMFYSA-N 1 1 276.380 3.373 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000375406950 379496608 /nfs/dbraw/zinc/49/66/08/379496608.db2.gz VFSGKSRJKLGKCB-HNNXBMFYSA-N 1 1 276.380 3.373 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000375739564 379506318 /nfs/dbraw/zinc/50/63/18/379506318.db2.gz BXGJNIWXHFHOOA-IAGOWNOFSA-N 1 1 291.439 3.054 20 30 CGEDMO CC[C@@](C)(C#N)C(=O)Nc1cccc2c1C[N@H+](C1CC1)C2 ZINC000376138326 379524686 /nfs/dbraw/zinc/52/46/86/379524686.db2.gz AOMUZBUCBBJPEK-KRWDZBQOSA-N 1 1 283.375 3.043 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639793072 379585368 /nfs/dbraw/zinc/58/53/68/379585368.db2.gz SCEIJBUQSVOZNE-OAHLLOKOSA-N 1 1 267.376 3.385 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639790707 379585630 /nfs/dbraw/zinc/58/56/30/379585630.db2.gz DSCNLNLWMCFOSX-OAHLLOKOSA-N 1 1 267.376 3.385 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](C[C@@H]1CCCO1)C1CCC(C)CC1 ZINC000351329122 379714204 /nfs/dbraw/zinc/71/42/04/379714204.db2.gz OJVPXEJLENDMBS-FOIPXRHGSA-N 1 1 295.467 3.373 20 30 CGEDMO C=C(C)CC[N@@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000351719560 379741857 /nfs/dbraw/zinc/74/18/57/379741857.db2.gz MVLLEUZBVFEHCD-QGZVFWFLSA-N 1 1 259.393 3.226 20 30 CGEDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccccc1C#N ZINC000352545057 379850438 /nfs/dbraw/zinc/85/04/38/379850438.db2.gz VMEPEIMDDVUXHN-UHFFFAOYSA-N 1 1 295.342 3.141 20 30 CGEDMO C=CCCC[C@@H](C)n1cc(C[NH2+]Cc2ccccc2)nn1 ZINC000641234275 379969095 /nfs/dbraw/zinc/96/90/95/379969095.db2.gz FDSRRFDKAFNDDX-OAHLLOKOSA-N 1 1 284.407 3.485 20 30 CGEDMO C[N@H+](CCOc1ccccc1)Cc1cccc(C#N)c1F ZINC000352865106 380010828 /nfs/dbraw/zinc/01/08/28/380010828.db2.gz ADQRSNVATUGFJT-UHFFFAOYSA-N 1 1 284.334 3.208 20 30 CGEDMO C[N@@H+](CCOc1ccccc1)Cc1cccc(C#N)c1F ZINC000352865106 380010832 /nfs/dbraw/zinc/01/08/32/380010832.db2.gz ADQRSNVATUGFJT-UHFFFAOYSA-N 1 1 284.334 3.208 20 30 CGEDMO C[C@H](C#N)C[N@H+](C[C@@H]1CCC2(CCCCC2)O1)C1CC1 ZINC000409446400 380035869 /nfs/dbraw/zinc/03/58/69/380035869.db2.gz YSQOFDQRTKDGHC-ZBFHGGJFSA-N 1 1 276.424 3.492 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C[C@@H]1CCC2(CCCCC2)O1)C1CC1 ZINC000409446400 380035881 /nfs/dbraw/zinc/03/58/81/380035881.db2.gz YSQOFDQRTKDGHC-ZBFHGGJFSA-N 1 1 276.424 3.492 20 30 CGEDMO N#CCC[N@H+](CCC1(C#N)CCCCC1)CC1CC1 ZINC000411301655 380139545 /nfs/dbraw/zinc/13/95/45/380139545.db2.gz DTAIZLRIDBWSRI-UHFFFAOYSA-N 1 1 259.397 3.476 20 30 CGEDMO N#CCC[N@@H+](CCC1(C#N)CCCCC1)CC1CC1 ZINC000411301655 380139550 /nfs/dbraw/zinc/13/95/50/380139550.db2.gz DTAIZLRIDBWSRI-UHFFFAOYSA-N 1 1 259.397 3.476 20 30 CGEDMO CC[N@@H+](C)C[C@H]1CC[NH+](CCC2(C#N)CCCCC2)C1 ZINC000411323635 380141097 /nfs/dbraw/zinc/14/10/97/380141097.db2.gz FFUZRUOXBGIKMT-MRXNPFEDSA-N 1 1 277.456 3.124 20 30 CGEDMO CC[N@H+](C)C[C@H]1CCN(CCC2(C#N)CCCCC2)C1 ZINC000411323635 380141112 /nfs/dbraw/zinc/14/11/12/380141112.db2.gz FFUZRUOXBGIKMT-MRXNPFEDSA-N 1 1 277.456 3.124 20 30 CGEDMO CC[N@@H+](C)C[C@H]1CCN(CCC2(C#N)CCCCC2)C1 ZINC000411323635 380141118 /nfs/dbraw/zinc/14/11/18/380141118.db2.gz FFUZRUOXBGIKMT-MRXNPFEDSA-N 1 1 277.456 3.124 20 30 CGEDMO C[N@@H+](CCc1ccccn1)CCC1(C#N)CCCCC1 ZINC000411423396 380147048 /nfs/dbraw/zinc/14/70/48/380147048.db2.gz UTXIKPOVKXUESB-UHFFFAOYSA-N 1 1 271.408 3.420 20 30 CGEDMO C=CCn1cc(C[NH2+][C@H](c2ccccc2)C2CCC2)nn1 ZINC000641781106 380095704 /nfs/dbraw/zinc/09/57/04/380095704.db2.gz SDQAEOSDIQLTEU-QGZVFWFLSA-N 1 1 282.391 3.095 20 30 CGEDMO C=CCC1(C(=O)N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)CCCC1 ZINC000410631751 380107783 /nfs/dbraw/zinc/10/77/83/380107783.db2.gz ANFJUFCHJDUYHQ-HUUCEWRRSA-N 1 1 278.440 3.064 20 30 CGEDMO C[N@@H+](CCC1(C#N)CCCCC1)C[C@@H]1CCCC[C@H]1O ZINC000411483993 380149831 /nfs/dbraw/zinc/14/98/31/380149831.db2.gz GJSULPWLFGCSHC-JKSUJKDBSA-N 1 1 278.440 3.333 20 30 CGEDMO CCOC(=O)C[C@@H](C)[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000411503864 380148429 /nfs/dbraw/zinc/14/84/29/380148429.db2.gz LJMSABIPLTZMQP-CQSZACIVSA-N 1 1 280.412 3.124 20 30 CGEDMO CO[C@H](C[N@@H+](C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000284071311 380121869 /nfs/dbraw/zinc/12/18/69/380121869.db2.gz RMJORRRKKPRRGW-GOSISDBHSA-N 1 1 280.371 3.378 20 30 CGEDMO CC[C@H]1CO[C@@H](C)C[N@H+]1CCC1(C#N)CCCCC1 ZINC000411168893 380131500 /nfs/dbraw/zinc/13/15/00/380131500.db2.gz QVXWIKFJEQVQKC-GJZGRUSLSA-N 1 1 264.413 3.350 20 30 CGEDMO C[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)CC(C)(C)O1 ZINC000411179884 380132311 /nfs/dbraw/zinc/13/23/11/380132311.db2.gz AXXAXLWSUKUSSG-AWEZNQCLSA-N 1 1 264.413 3.350 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCO[C@H](C(C)C)C2)cc1 ZINC000353164979 380149005 /nfs/dbraw/zinc/14/90/05/380149005.db2.gz RNZCTMSKBJTVBI-KRWDZBQOSA-N 1 1 275.392 3.108 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCO[C@H](C(C)C)C2)cc1 ZINC000353164979 380149013 /nfs/dbraw/zinc/14/90/13/380149013.db2.gz RNZCTMSKBJTVBI-KRWDZBQOSA-N 1 1 275.392 3.108 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)[C@H](C)C(=O)N[C@@H](C)CC ZINC000411196122 380134508 /nfs/dbraw/zinc/13/45/08/380134508.db2.gz JDVDQSSQTRWJRU-JKSUJKDBSA-N 1 1 288.435 3.020 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCCCNc1cc(C#N)ccn1 ZINC000286196035 380174222 /nfs/dbraw/zinc/17/42/22/380174222.db2.gz FMIKTYRVVWTQFC-AWEZNQCLSA-N 1 1 272.396 3.020 20 30 CGEDMO Cc1nsc(NCCCC[N@@H+]2CCCC[C@@H]2C)c1C#N ZINC000286226126 380179623 /nfs/dbraw/zinc/17/96/23/380179623.db2.gz HHOWYFWFAPDVNP-LBPRGKRZSA-N 1 1 292.452 3.390 20 30 CGEDMO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2ccccc2C#N)C1(C)C ZINC000353936169 380243837 /nfs/dbraw/zinc/24/38/37/380243837.db2.gz YSTHMRUHMCDYBX-NVXWUHKLSA-N 1 1 272.392 3.194 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1cnc(CC)nc1 ZINC000414376413 380217288 /nfs/dbraw/zinc/21/72/88/380217288.db2.gz CCAFUPNQVIPHAY-UHFFFAOYSA-N 1 1 281.403 3.270 20 30 CGEDMO N#CCCC[C@@H]([NH2+]Cc1cocn1)c1ccccc1 ZINC000353917999 380234015 /nfs/dbraw/zinc/23/40/15/380234015.db2.gz WQARRPLKHJFBBO-OAHLLOKOSA-N 1 1 255.321 3.199 20 30 CGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000354025042 380283564 /nfs/dbraw/zinc/28/35/64/380283564.db2.gz XWCXYMYSCCSZBY-ZIAGYGMSSA-N 1 1 299.418 3.253 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)CC(C)(C)C#N)cc1 ZINC000354041426 380294291 /nfs/dbraw/zinc/29/42/91/380294291.db2.gz TZZVEDWEZRNSBG-UHFFFAOYSA-N 1 1 258.365 3.233 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)CC(C)(C)C#N)cc1 ZINC000354041426 380294294 /nfs/dbraw/zinc/29/42/94/380294294.db2.gz TZZVEDWEZRNSBG-UHFFFAOYSA-N 1 1 258.365 3.233 20 30 CGEDMO COc1ccc(C[N@H+](C)Cc2ccc(C#N)o2)cc1Cl ZINC000414550127 380312700 /nfs/dbraw/zinc/31/27/00/380312700.db2.gz MTFKFBLCASONAQ-UHFFFAOYSA-N 1 1 290.750 3.445 20 30 CGEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)o2)cc1Cl ZINC000414550127 380312703 /nfs/dbraw/zinc/31/27/03/380312703.db2.gz MTFKFBLCASONAQ-UHFFFAOYSA-N 1 1 290.750 3.445 20 30 CGEDMO CC[C@H](C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1)OC ZINC000419221425 380781938 /nfs/dbraw/zinc/78/19/38/380781938.db2.gz APJJETVXNGLKRC-QGZVFWFLSA-N 1 1 270.376 3.072 20 30 CGEDMO N#Cc1cccc(C[NH+]2CCC(OC3CCC3)CC2)c1F ZINC000419306055 380797032 /nfs/dbraw/zinc/79/70/32/380797032.db2.gz SDPLGUUXTGMZNA-UHFFFAOYSA-N 1 1 288.366 3.231 20 30 CGEDMO C=CCN(CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1F ZINC000420326813 380848661 /nfs/dbraw/zinc/84/86/61/380848661.db2.gz XUONZBCJEJSZQK-HNNXBMFYSA-N 1 1 276.399 3.203 20 30 CGEDMO C[C@@H](C1CCC1)[N@@H+](C)Cc1cn2ccccc2c1C#N ZINC000357038456 381006027 /nfs/dbraw/zinc/00/60/27/381006027.db2.gz NGTVZYRBOHQSNO-ZDUSSCGKSA-N 1 1 267.376 3.431 20 30 CGEDMO CCOCc1cc(C[NH2+][C@H](CC)CC#N)ccc1OC ZINC000184083480 262008024 /nfs/dbraw/zinc/00/80/24/262008024.db2.gz WIAAFOXPHRPECS-OAHLLOKOSA-N 1 1 276.380 3.014 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccc(S(=O)(=O)C(C)C)cc1 ZINC000359604030 381355437 /nfs/dbraw/zinc/35/54/37/381355437.db2.gz DAHIVCVZFZOXNX-UHFFFAOYSA-N 1 1 295.448 3.267 20 30 CGEDMO CC(C)OCCC[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000359855885 381375393 /nfs/dbraw/zinc/37/53/93/381375393.db2.gz LCPRQMLYTPSOJO-UHFFFAOYSA-N 1 1 280.799 3.459 20 30 CGEDMO CC[C@H]1[C@H](C)CC[N@H+]1CCOc1cccc(C#N)c1 ZINC000360469654 381551338 /nfs/dbraw/zinc/55/13/38/381551338.db2.gz VQLDTZARVWXCMH-CJNGLKHVSA-N 1 1 258.365 3.057 20 30 CGEDMO CC[C@H]1[C@@H](C)CC[N@H+]1CCOc1cccc(C#N)c1 ZINC000360469653 381551826 /nfs/dbraw/zinc/55/18/26/381551826.db2.gz VQLDTZARVWXCMH-BBRMVZONSA-N 1 1 258.365 3.057 20 30 CGEDMO CC[C@H]1[C@@H](C)CC[N@H+]1CCOc1ccccc1C#N ZINC000360478199 381555827 /nfs/dbraw/zinc/55/58/27/381555827.db2.gz OAMWITBMBPZWTA-ZFWWWQNUSA-N 1 1 258.365 3.057 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@H]1c1nc2ccccc2n1CC ZINC000361436053 381745747 /nfs/dbraw/zinc/74/57/47/381745747.db2.gz RBSWWBSULMKCRM-MRXNPFEDSA-N 1 1 267.376 3.216 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1CC ZINC000361436053 381745750 /nfs/dbraw/zinc/74/57/50/381745750.db2.gz RBSWWBSULMKCRM-MRXNPFEDSA-N 1 1 267.376 3.216 20 30 CGEDMO CC[N@@H+](CCC(=O)Nc1sccc1C#N)CC(C)(C)C ZINC000361518732 381784026 /nfs/dbraw/zinc/78/40/26/381784026.db2.gz JPPHTHXJDDIHKC-UHFFFAOYSA-N 1 1 293.436 3.316 20 30 CGEDMO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000361568967 381811316 /nfs/dbraw/zinc/81/13/16/381811316.db2.gz YWNYLAIUXTWDNN-CRAIPNDOSA-N 1 1 293.414 3.350 20 30 CGEDMO Cc1ccccc1[C@@H]1CC[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000361579413 381815289 /nfs/dbraw/zinc/81/52/89/381815289.db2.gz RXNXOUSOZBWXAE-MRXNPFEDSA-N 1 1 279.387 3.195 20 30 CGEDMO C=CC[N@H+](CCOC)[C@H]1CCc2ccc(Cl)cc21 ZINC000361997433 381878451 /nfs/dbraw/zinc/87/84/51/381878451.db2.gz WGLBRGIBIYOYGI-HNNXBMFYSA-N 1 1 265.784 3.462 20 30 CGEDMO Cc1ccc(C)n1C1CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000362170838 381895746 /nfs/dbraw/zinc/89/57/46/381895746.db2.gz TVJDUXDXAKOVQD-INIZCTEOSA-N 1 1 284.407 3.185 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@H]1c1ccccc1 ZINC000362179794 381900361 /nfs/dbraw/zinc/90/03/61/381900361.db2.gz GYUACFYUCPZRRZ-RDJZCZTQSA-N 1 1 284.403 3.023 20 30 CGEDMO COCC[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1CC[C@H](C)C1 ZINC000362147186 381888108 /nfs/dbraw/zinc/88/81/08/381888108.db2.gz DJHSUKRFRQACHY-SUMWQHHRSA-N 1 1 290.382 3.334 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000362301052 381935313 /nfs/dbraw/zinc/93/53/13/381935313.db2.gz PTIZTDQIDXYUHH-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO C[C@H]1[N@@H+](CC(C)(C)CCC#N)CCC12CCOCC2 ZINC000363865169 382259595 /nfs/dbraw/zinc/25/95/95/382259595.db2.gz GEHFNQATFFFEOM-CQSZACIVSA-N 1 1 264.413 3.207 20 30 CGEDMO C=C(C[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21)c1ccccc1 ZINC000367620563 382352629 /nfs/dbraw/zinc/35/26/29/382352629.db2.gz YHGDTLPIFYJDQW-KSZLIROESA-N 1 1 270.420 3.162 20 30 CGEDMO C=C(CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)c1ccccc1 ZINC000367620563 382352635 /nfs/dbraw/zinc/35/26/35/382352635.db2.gz YHGDTLPIFYJDQW-KSZLIROESA-N 1 1 270.420 3.162 20 30 CGEDMO C=C(CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)c1ccccc1 ZINC000367620563 382352639 /nfs/dbraw/zinc/35/26/39/382352639.db2.gz YHGDTLPIFYJDQW-KSZLIROESA-N 1 1 270.420 3.162 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@]3(CCCOC3)C2)c1 ZINC000335263949 208056257 /nfs/dbraw/zinc/05/62/57/208056257.db2.gz XQVQCHBMTBOXQV-KRWDZBQOSA-N 1 1 288.366 3.090 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)c(F)c1 ZINC000335368923 208296357 /nfs/dbraw/zinc/29/63/57/208296357.db2.gz PKYVAMHDWBKEBS-DOTOQJQBSA-N 1 1 288.366 3.088 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)cc1F ZINC000335380745 208322994 /nfs/dbraw/zinc/32/29/94/208322994.db2.gz QGHTUERCADQKGY-DOTOQJQBSA-N 1 1 288.366 3.088 20 30 CGEDMO C[N@H+](Cc1ccc(CC#N)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000342696684 542497189 /nfs/dbraw/zinc/49/71/89/542497189.db2.gz QWQDAFSQNCEPBA-UHFFFAOYSA-N 1 1 295.342 3.293 20 30 CGEDMO C[N@@H+](Cc1ccc(CC#N)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000342696684 542497194 /nfs/dbraw/zinc/49/71/94/542497194.db2.gz QWQDAFSQNCEPBA-UHFFFAOYSA-N 1 1 295.342 3.293 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cnc(-c2ccccc2)[nH]1 ZINC000179527894 260053686 /nfs/dbraw/zinc/05/36/86/260053686.db2.gz SZZBTFXKUWQENX-UHFFFAOYSA-N 1 1 255.365 3.475 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1c[nH]c(-c2ccccc2)n1 ZINC000179527894 260053687 /nfs/dbraw/zinc/05/36/87/260053687.db2.gz SZZBTFXKUWQENX-UHFFFAOYSA-N 1 1 255.365 3.475 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1c[nH]c(-c2ccccc2)n1 ZINC000179527894 260053688 /nfs/dbraw/zinc/05/36/88/260053688.db2.gz SZZBTFXKUWQENX-UHFFFAOYSA-N 1 1 255.365 3.475 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000336806193 262395379 /nfs/dbraw/zinc/39/53/79/262395379.db2.gz KOEQRUSGUWZZAP-LSDHHAIUSA-N 1 1 264.413 3.207 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000336797482 262396890 /nfs/dbraw/zinc/39/68/90/262396890.db2.gz AJIGHTMCFXFIPH-LSDHHAIUSA-N 1 1 264.413 3.065 20 30 CGEDMO COc1cc(CNc2ccc3c(c2)C[N@H+](C)C3)ccc1C#N ZINC000281767977 195372893 /nfs/dbraw/zinc/37/28/93/195372893.db2.gz SDUSUIODVIGSTN-UHFFFAOYSA-N 1 1 293.370 3.124 20 30 CGEDMO C[C@@H]([NH2+]CCN1CCCCCC1)c1ccc(C#N)cc1F ZINC000358580622 533395511 /nfs/dbraw/zinc/39/55/11/533395511.db2.gz YKECMFLWILABFK-CQSZACIVSA-N 1 1 289.398 3.224 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1CC[C@H](C)O1 ZINC000190458384 130106068 /nfs/dbraw/zinc/10/60/68/130106068.db2.gz NJZPHZOKHQJASB-YOEHRIQHSA-N 1 1 270.376 3.114 20 30 CGEDMO CC[C@@](C)([NH2+]CC#Cc1ccccc1)c1nccs1 ZINC000192109299 130373111 /nfs/dbraw/zinc/37/31/11/130373111.db2.gz HGUHMDJFXMJJNW-MRXNPFEDSA-N 1 1 270.401 3.410 20 30 CGEDMO CC[C@](C)([NH2+]CC#Cc1ccccc1)c1nccs1 ZINC000192109292 130374587 /nfs/dbraw/zinc/37/45/87/130374587.db2.gz HGUHMDJFXMJJNW-INIZCTEOSA-N 1 1 270.401 3.410 20 30 CGEDMO C[C@@H](c1ccncc1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000067716483 392159775 /nfs/dbraw/zinc/15/97/75/392159775.db2.gz RFKSALRDEUKSEK-ZDUSSCGKSA-N 1 1 251.333 3.146 20 30 CGEDMO Cc1cnc(CC[N@H+](C)CC(C)(C)CCC#N)s1 ZINC000093807436 392240634 /nfs/dbraw/zinc/24/06/34/392240634.db2.gz KCIZLQFYEHXKCM-UHFFFAOYSA-N 1 1 265.426 3.256 20 30 CGEDMO C[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)[C@H]1CCOC1 ZINC000106881551 392310946 /nfs/dbraw/zinc/31/09/46/392310946.db2.gz ADVKYKBXQKMCSY-SFHVURJKSA-N 1 1 292.382 3.446 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CC[C@H](OC)C[C@H]2C)cc1 ZINC000282178869 392284245 /nfs/dbraw/zinc/28/42/45/392284245.db2.gz FNDDVLUSZYUAIA-QAPCUYQASA-N 1 1 287.403 3.088 20 30 CGEDMO C=C(Br)C[NH2+]C(C)(C)c1c(C)noc1C ZINC000285587977 392327813 /nfs/dbraw/zinc/32/78/13/392327813.db2.gz JAYHSRFTBFMBBS-UHFFFAOYSA-N 1 1 273.174 3.025 20 30 CGEDMO Cc1cccc(NCc2ccc(N(C)CCC#N)cc2)[nH+]1 ZINC000121587849 392414066 /nfs/dbraw/zinc/41/40/66/392414066.db2.gz FLDQGZNCQHGUCF-UHFFFAOYSA-N 1 1 280.375 3.352 20 30 CGEDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(CCC(C)(C)C#N)C1 ZINC000363479177 392428382 /nfs/dbraw/zinc/42/83/82/392428382.db2.gz FXAUZVXDGZQSLH-QGZVFWFLSA-N 1 1 285.435 3.133 20 30 CGEDMO CN(Cc1ccccc1)[C@@H]1CC[N@H+](CCC(C)(C)C#N)C1 ZINC000363479177 392428389 /nfs/dbraw/zinc/42/83/89/392428389.db2.gz FXAUZVXDGZQSLH-QGZVFWFLSA-N 1 1 285.435 3.133 20 30 CGEDMO CN(Cc1ccccc1)[C@@H]1CC[N@@H+](CCC(C)(C)C#N)C1 ZINC000363479177 392428395 /nfs/dbraw/zinc/42/83/95/392428395.db2.gz FXAUZVXDGZQSLH-QGZVFWFLSA-N 1 1 285.435 3.133 20 30 CGEDMO C=CCCCCC[NH2+][C@@H](C)c1noc(COC(C)C)n1 ZINC000290065956 392439388 /nfs/dbraw/zinc/43/93/88/392439388.db2.gz YAMDJFWFWPOIJQ-ZDUSSCGKSA-N 1 1 281.400 3.392 20 30 CGEDMO C#CC[N@H+](Cc1ccc(F)cc1)CC1CCC(=O)CC1 ZINC000290182028 392442714 /nfs/dbraw/zinc/44/27/14/392442714.db2.gz ZGGCADROJOHZHH-UHFFFAOYSA-N 1 1 273.351 3.020 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000365415797 392444690 /nfs/dbraw/zinc/44/46/90/392444690.db2.gz YOADBLGKFHSGIB-PBHICJAKSA-N 1 1 292.386 3.289 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)Cc1ccc(Br)cc1 ZINC000121118754 392408081 /nfs/dbraw/zinc/40/80/81/392408081.db2.gz BSIVKBSPTBQOHU-AWEZNQCLSA-N 1 1 298.224 3.208 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000121091286 392409058 /nfs/dbraw/zinc/40/90/58/392409058.db2.gz BEMSVGYJXDIHOB-UHFFFAOYSA-N 1 1 275.783 3.495 20 30 CGEDMO CC#CCCCC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000373873030 392665007 /nfs/dbraw/zinc/66/50/07/392665007.db2.gz UTDSEWHEUMEZJE-QGZVFWFLSA-N 1 1 290.451 3.093 20 30 CGEDMO C[C@H]1CSCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000178538551 392680850 /nfs/dbraw/zinc/68/08/50/392680850.db2.gz VMNJOTXCIRMKLS-ZDUSSCGKSA-N 1 1 274.433 3.425 20 30 CGEDMO C=C(C)C[C@H](C)c1nc([C@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1 ZINC000329626891 392688676 /nfs/dbraw/zinc/68/86/76/392688676.db2.gz VNCNDTBXEZBGTL-ZENOOKHLSA-N 1 1 291.395 3.065 20 30 CGEDMO C=C(C)C[C@H](C)c1nc([C@H]2C[N@H+]3CCC[C@@]3(C)CO2)no1 ZINC000329626891 392688686 /nfs/dbraw/zinc/68/86/86/392688686.db2.gz VNCNDTBXEZBGTL-ZENOOKHLSA-N 1 1 291.395 3.065 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)CCc1ccncc1 ZINC000173550673 392626661 /nfs/dbraw/zinc/62/66/61/392626661.db2.gz JVEPRPAFTAFRLA-UHFFFAOYSA-N 1 1 259.397 3.276 20 30 CGEDMO C[N@@H+](CCCC(C)(C)C#N)CCOc1ccc(F)cc1 ZINC000174812418 392646039 /nfs/dbraw/zinc/64/60/39/392646039.db2.gz ZQEXCINTKHOGBX-UHFFFAOYSA-N 1 1 278.371 3.466 20 30 CGEDMO C[N@@H+](CC#Cc1cccc(Cl)c1)C[C@H]1CCCC[C@@H]1O ZINC000181467857 392732021 /nfs/dbraw/zinc/73/20/21/392732021.db2.gz VVVGENHSJNNJLE-WBVHZDCISA-N 1 1 291.822 3.174 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCOC2(CCCCC2)C1 ZINC000186241388 392780122 /nfs/dbraw/zinc/78/01/22/392780122.db2.gz MIGLDBUEZPEQOC-UHFFFAOYSA-N 1 1 284.403 3.402 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)cc1F ZINC000335179605 392781810 /nfs/dbraw/zinc/78/18/10/392781810.db2.gz WIVVTRHSUGRTCD-FUHWJXTLSA-N 1 1 296.345 3.005 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@H](C)c1cccnc1 ZINC000186314886 392783050 /nfs/dbraw/zinc/78/30/50/392783050.db2.gz ZFXRCCPFKKDMBI-CQSZACIVSA-N 1 1 265.360 3.455 20 30 CGEDMO N#Cc1ccccc1OCC[NH2+]C1(C(F)F)CCCCC1 ZINC000510113138 392785649 /nfs/dbraw/zinc/78/56/49/392785649.db2.gz OUKXAYMLCQAJGE-UHFFFAOYSA-N 1 1 294.345 3.495 20 30 CGEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@H+]2CCC(C)(C)C#N)C1 ZINC000338173344 392899719 /nfs/dbraw/zinc/89/97/19/392899719.db2.gz AJCTYHPPSMOWDU-FPCVCCKLSA-N 1 1 278.440 3.188 20 30 CGEDMO C[C@H](C#N)C[N@H+](Cc1cccc2cccnc21)C1CC1 ZINC000338377390 392912745 /nfs/dbraw/zinc/91/27/45/392912745.db2.gz IEBRKSZAVIUUTQ-CYBMUJFWSA-N 1 1 265.360 3.359 20 30 CGEDMO C[C@H](C#N)C[N@@H+](Cc1cccc2cccnc21)C1CC1 ZINC000338377390 392912747 /nfs/dbraw/zinc/91/27/47/392912747.db2.gz IEBRKSZAVIUUTQ-CYBMUJFWSA-N 1 1 265.360 3.359 20 30 CGEDMO CCOc1ccc(OCC[N@H+](C[C@@H](C)C#N)C2CC2)cc1 ZINC000338388197 392914668 /nfs/dbraw/zinc/91/46/68/392914668.db2.gz VMKQRPSZFYGMOF-AWEZNQCLSA-N 1 1 288.391 3.088 20 30 CGEDMO CCOc1ccc(OCC[N@@H+](C[C@@H](C)C#N)C2CC2)cc1 ZINC000338388197 392914673 /nfs/dbraw/zinc/91/46/73/392914673.db2.gz VMKQRPSZFYGMOF-AWEZNQCLSA-N 1 1 288.391 3.088 20 30 CGEDMO COc1cncc(/C=C/CC[N@@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000517027576 392867099 /nfs/dbraw/zinc/86/70/99/392867099.db2.gz MXWDMPJRGFFNFL-KQIUPUNMSA-N 1 1 285.391 3.118 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000338589629 392922787 /nfs/dbraw/zinc/92/27/87/392922787.db2.gz UHZJLEFNNWWKPS-BBRMVZONSA-N 1 1 281.346 3.023 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000338589629 392922790 /nfs/dbraw/zinc/92/27/90/392922790.db2.gz UHZJLEFNNWWKPS-BBRMVZONSA-N 1 1 281.346 3.023 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@@H]1c1ccc(OC)c(OC)c1 ZINC000338886234 392933825 /nfs/dbraw/zinc/93/38/25/392933825.db2.gz CVZLBFNAURPNQO-OAHLLOKOSA-N 1 1 291.391 3.043 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@]3(C2)OCc2ccccc23)C1 ZINC000339090988 392947461 /nfs/dbraw/zinc/94/74/61/392947461.db2.gz KVLORSVQGFZGIR-UWWQBHOKSA-N 1 1 282.387 3.200 20 30 CGEDMO C=CC[C@H]1[N@H+](CCC2(O)CCC2)CCCC1(C)C ZINC000411648783 392983691 /nfs/dbraw/zinc/98/36/91/392983691.db2.gz SYZMRGWXZWRFIF-CQSZACIVSA-N 1 1 251.414 3.358 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000411657307 392984833 /nfs/dbraw/zinc/98/48/33/392984833.db2.gz GJNSZZMOOODQEC-HOCLYGCPSA-N 1 1 290.382 3.499 20 30 CGEDMO N#CC1(CC[N@@H+]2CC[C@@H](COC(F)F)C2)CCCCC1 ZINC000411726073 392986969 /nfs/dbraw/zinc/98/69/69/392986969.db2.gz JDIYCKJHKZYDOX-CYBMUJFWSA-N 1 1 286.366 3.412 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000411848366 392990289 /nfs/dbraw/zinc/99/02/89/392990289.db2.gz NECQQFNSAPTFSF-DYVFJYSZSA-N 1 1 270.376 3.120 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000411848366 392990293 /nfs/dbraw/zinc/99/02/93/392990293.db2.gz NECQQFNSAPTFSF-DYVFJYSZSA-N 1 1 270.376 3.120 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411961100 392990530 /nfs/dbraw/zinc/99/05/30/392990530.db2.gz ZLWABERVMFRJBY-JKSUJKDBSA-N 1 1 272.392 3.124 20 30 CGEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000532490618 392994115 /nfs/dbraw/zinc/99/41/15/392994115.db2.gz DIIPKWFWOIQYAM-ZDUSSCGKSA-N 1 1 290.407 3.312 20 30 CGEDMO C[C@@H]1CCC[C@H]([N@@H+](C)C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000218568735 392997855 /nfs/dbraw/zinc/99/78/55/392997855.db2.gz IOLBALPSBZUJLI-XOKHGSTOSA-N 1 1 272.392 3.102 20 30 CGEDMO CO[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CC[C@@H]1C ZINC000221128327 393006221 /nfs/dbraw/zinc/00/62/21/393006221.db2.gz HHAYCYQWDXFFJR-NHYWBVRUSA-N 1 1 278.783 3.068 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)c1 ZINC000342819099 393008031 /nfs/dbraw/zinc/00/80/31/393008031.db2.gz XRYFNQAVBWIERP-ROUUACIJSA-N 1 1 287.403 3.395 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](CCc1ccc(F)cc1)C1CC1 ZINC000351179750 393165322 /nfs/dbraw/zinc/16/53/22/393165322.db2.gz FBCPSAZWAJIUQT-QGZVFWFLSA-N 1 1 277.383 3.160 20 30 CGEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC1(SC)CC1 ZINC000347843780 393110530 /nfs/dbraw/zinc/11/05/30/393110530.db2.gz JSKZMYIUXMXMOY-UHFFFAOYSA-N 1 1 292.404 3.478 20 30 CGEDMO CC[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353265657 393217513 /nfs/dbraw/zinc/21/75/13/393217513.db2.gz ZFJSVXBMZHKFGH-IEBWSBKVSA-N 1 1 297.446 3.400 20 30 CGEDMO CC[C@@H]1CCCC[N@H+]1CCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353265657 393217519 /nfs/dbraw/zinc/21/75/19/393217519.db2.gz ZFJSVXBMZHKFGH-IEBWSBKVSA-N 1 1 297.446 3.400 20 30 CGEDMO CC(C)C[C@@H](CN[C@H]1CCc2ccc(C#N)cc21)[NH+](C)C ZINC000353387933 393221032 /nfs/dbraw/zinc/22/10/32/393221032.db2.gz OSPQHOIOGBZFSH-WMZOPIPTSA-N 1 1 285.435 3.111 20 30 CGEDMO CC(C)[N@H+]1CCCN(CC#Cc2cccc(Cl)c2)CC1 ZINC000269543437 393228833 /nfs/dbraw/zinc/22/88/33/393228833.db2.gz BNGZTCHRDLDION-UHFFFAOYSA-N 1 1 290.838 3.108 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCCC3(CCOCC3)C2)cc1 ZINC000269661450 393231030 /nfs/dbraw/zinc/23/10/30/393231030.db2.gz XVJITZSFAWZLJV-UHFFFAOYSA-N 1 1 287.378 3.070 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)C[C@H]1CCO[C@H](C)C1 ZINC000352716821 393206679 /nfs/dbraw/zinc/20/66/79/393206679.db2.gz HLGNVLUKTMVAPX-CABCVRRESA-N 1 1 252.402 3.063 20 30 CGEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)c2ccc(Cl)cc2)C1=O ZINC000281895524 393365717 /nfs/dbraw/zinc/36/57/17/393365717.db2.gz FCJWBULKYVWFEN-WFASDCNBSA-N 1 1 292.810 3.120 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CC=C(c2ccc(CC)cc2)CC1 ZINC000649407361 393413825 /nfs/dbraw/zinc/41/38/25/393413825.db2.gz JJNMOKALROMFHA-GOSISDBHSA-N 1 1 271.404 3.275 20 30 CGEDMO C[C@H]1CC[C@@]2(CC[N@@H+](CCCSCC#N)C2)C1 ZINC000360681864 393572651 /nfs/dbraw/zinc/57/26/51/393572651.db2.gz RYXUSKZDXUPLBK-UONOGXRCSA-N 1 1 252.427 3.145 20 30 CGEDMO C=C(C)[C@@H](CO)[N@@H+]1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC000649746780 393571446 /nfs/dbraw/zinc/57/14/46/393571446.db2.gz IIFJKGXNDMAIHD-BLLLJJGKSA-N 1 1 279.811 3.239 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1nc(-c2ccccc2F)no1 ZINC000489494691 393600716 /nfs/dbraw/zinc/60/07/16/393600716.db2.gz VWVFQZYOFXHLRF-LBPRGKRZSA-N 1 1 287.338 3.416 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccccc2F)no1 ZINC000489494691 393600718 /nfs/dbraw/zinc/60/07/18/393600718.db2.gz VWVFQZYOFXHLRF-LBPRGKRZSA-N 1 1 287.338 3.416 20 30 CGEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)C(C)C ZINC000432939103 393664711 /nfs/dbraw/zinc/66/47/11/393664711.db2.gz PXBZTQBVNVCQFN-QGZVFWFLSA-N 1 1 274.408 3.033 20 30 CGEDMO C=CCCCCC[N@H+]1CCc2c(nnn2-c2ccccc2)C1 ZINC000433200378 393698458 /nfs/dbraw/zinc/69/84/58/393698458.db2.gz HRTGPSIZLXJYIP-UHFFFAOYSA-N 1 1 296.418 3.372 20 30 CGEDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C[C@@H](C)C1 ZINC000443643010 393768659 /nfs/dbraw/zinc/76/86/59/393768659.db2.gz QGJMBSORDOAXMU-GJZGRUSLSA-N 1 1 299.418 3.255 20 30 CGEDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C[C@@H](C)C1 ZINC000443643009 393768721 /nfs/dbraw/zinc/76/87/21/393768721.db2.gz QGJMBSORDOAXMU-CABCVRRESA-N 1 1 299.418 3.255 20 30 CGEDMO N#Cc1cccc(C[N@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)c1 ZINC000449530498 393885647 /nfs/dbraw/zinc/88/56/47/393885647.db2.gz ADWIIWHQYPUQIL-IRXDYDNUSA-N 1 1 252.361 3.179 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccnc2)C1 ZINC000668493777 543020938 /nfs/dbraw/zinc/02/09/38/543020938.db2.gz RIYGIKRJAVLJTM-AWEZNQCLSA-N 1 1 282.391 3.260 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2c(CC)nn(C)c2CC)C1 ZINC000668492837 543020389 /nfs/dbraw/zinc/02/03/89/543020389.db2.gz HIOBGZIUULPLNS-AWEZNQCLSA-N 1 1 275.440 3.333 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)cc1 ZINC000668625500 543037146 /nfs/dbraw/zinc/03/71/46/543037146.db2.gz SEQGNXNLFTZOCH-CABCVRRESA-N 1 1 275.392 3.251 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000669944570 543136094 /nfs/dbraw/zinc/13/60/94/543136094.db2.gz PLARGBIMQLKDCV-MHORFTMASA-N 1 1 271.404 3.334 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CCC[C@@H](c2ccc(CC)cc2)C1 ZINC000671732998 543182845 /nfs/dbraw/zinc/18/28/45/543182845.db2.gz RTLFONKSVWXLGB-QZTJIDSGSA-N 1 1 273.420 3.365 20 30 CGEDMO C=C1CC[NH+]([C@@H](C)C(=O)N(CC)C2CCCCC2)CC1 ZINC000342163009 397684179 /nfs/dbraw/zinc/68/41/79/397684179.db2.gz NLZSSRGBOOZYMW-HNNXBMFYSA-N 1 1 278.440 3.208 20 30 CGEDMO C=C(C)C[NH+]1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000674460854 543286593 /nfs/dbraw/zinc/28/65/93/543286593.db2.gz UDKGAWKNOXSMEY-HTQZYQBOSA-N 1 1 261.209 3.235 20 30 CGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@H](C)C[C@H]1C ZINC000077320079 287038653 /nfs/dbraw/zinc/03/86/53/287038653.db2.gz JSOGJBTZQWDQAH-ZIAGYGMSSA-N 1 1 288.391 3.066 20 30 CGEDMO C[C@H]1CCCCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000070409548 165060312 /nfs/dbraw/zinc/06/03/12/165060312.db2.gz XPNKHLRQCHZUHP-AWEZNQCLSA-N 1 1 258.365 3.202 20 30 CGEDMO CCCC[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000071817976 165069566 /nfs/dbraw/zinc/06/95/66/165069566.db2.gz TWAYKHKYPXQHMN-UHFFFAOYSA-N 1 1 293.798 3.272 20 30 CGEDMO CC[C@@H](C)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000088491706 165193979 /nfs/dbraw/zinc/19/39/79/165193979.db2.gz MLBYPWFUIACETG-MRXNPFEDSA-N 1 1 285.435 3.112 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccncc1Cl)c1ccc(C#N)cc1 ZINC000088781200 165196873 /nfs/dbraw/zinc/19/68/73/165196873.db2.gz JWQUQOLUHSPNDE-LLVKDONJSA-N 1 1 271.751 3.457 20 30 CGEDMO CC[C@H](CSC)[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000091099359 165258248 /nfs/dbraw/zinc/25/82/48/165258248.db2.gz PVIZHGMODOQJNB-CYBMUJFWSA-N 1 1 266.385 3.271 20 30 CGEDMO CC[C@]1(C)CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000093458977 165328616 /nfs/dbraw/zinc/32/86/16/165328616.db2.gz NQRSCYDWLRDUIF-QGZVFWFLSA-N 1 1 282.391 3.218 20 30 CGEDMO C[C@H]1C[C@H](Nc2ccc(C#N)c(Cl)c2)C[N@H+]1C1CC1 ZINC000122797100 287212702 /nfs/dbraw/zinc/21/27/02/287212702.db2.gz NUZUMKUFYMULRN-GWCFXTLKSA-N 1 1 275.783 3.249 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000284987060 196171214 /nfs/dbraw/zinc/17/12/14/196171214.db2.gz YIDAQWMVZPPEMF-CVEARBPZSA-N 1 1 290.794 3.355 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000284987060 196171216 /nfs/dbraw/zinc/17/12/16/196171216.db2.gz YIDAQWMVZPPEMF-CVEARBPZSA-N 1 1 290.794 3.355 20 30 CGEDMO CC(C)N1CCC([NH2+][C@H](C)c2cccc(C#N)c2)CC1 ZINC000037236815 173054162 /nfs/dbraw/zinc/05/41/62/173054162.db2.gz WQBFFUZQPAZHGG-CQSZACIVSA-N 1 1 271.408 3.082 20 30 CGEDMO C[C@H](C[NH+]1CCCCC1)N[C@H](C)c1cccc(C#N)c1 ZINC000037319719 173120364 /nfs/dbraw/zinc/12/03/64/173120364.db2.gz OGXSIMOSWMBLFX-HUUCEWRRSA-N 1 1 271.408 3.083 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2c(F)cccc2F)cc1 ZINC000037505883 173241338 /nfs/dbraw/zinc/24/13/38/173241338.db2.gz QXRDTRUEPLIGNN-UHFFFAOYSA-N 1 1 258.271 3.126 20 30 CGEDMO C[C@@H](CN[C@@H](C)c1ccc(C#N)cc1)C[NH+]1CCCCC1 ZINC000038041724 174042704 /nfs/dbraw/zinc/04/27/04/174042704.db2.gz GCBCZNYVSYKEIN-HOTGVXAUSA-N 1 1 285.435 3.331 20 30 CGEDMO C[C@H](CN[C@H](C)c1cccc(C#N)c1)C[NH+]1CCCCC1 ZINC000038042053 174044153 /nfs/dbraw/zinc/04/41/53/174044153.db2.gz FJSPKOVBEPTSLW-HZPDHXFCSA-N 1 1 285.435 3.331 20 30 CGEDMO C[C@H]1CCC[C@@](CNCc2ccc(C#N)cc2)([NH+](C)C)C1 ZINC000040668381 174367425 /nfs/dbraw/zinc/36/74/25/174367425.db2.gz UDBSDBUBMZEOSU-MAUKXSAKSA-N 1 1 285.435 3.158 20 30 CGEDMO COC(=O)c1cc(C[NH2+][C@H](C)c2ccc(C#N)cc2)oc1C ZINC000128072764 287302924 /nfs/dbraw/zinc/30/29/24/287302924.db2.gz JGNUCIXAEKPXJK-LLVKDONJSA-N 1 1 298.342 3.097 20 30 CGEDMO C=C(C)C[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@H](C)CC ZINC000078709238 177374226 /nfs/dbraw/zinc/37/42/26/177374226.db2.gz KSPACYZFRTXUSK-CYBMUJFWSA-N 1 1 285.391 3.100 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)CC1CCCCC1 ZINC000219617431 416520993 /nfs/dbraw/zinc/52/09/93/416520993.db2.gz UAFTYKVKFPTADD-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CCc2ccc(C(C)=O)cc2CC1 ZINC000339621997 262656998 /nfs/dbraw/zinc/65/69/98/262656998.db2.gz KVJJEGWUSJDJHO-UHFFFAOYSA-N 1 1 257.377 3.256 20 30 CGEDMO C=CCCC[N@@H+](Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000679676510 543655838 /nfs/dbraw/zinc/65/58/38/543655838.db2.gz YWONUFOGPJSWEU-CQSZACIVSA-N 1 1 287.325 3.378 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H](OC)CC2)cc1 ZINC000680002651 543674700 /nfs/dbraw/zinc/67/47/00/543674700.db2.gz MCPGKDMYCVRKLY-INIZCTEOSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CCOCC[NH2+][C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000680349999 543702340 /nfs/dbraw/zinc/70/23/40/543702340.db2.gz UUATWDIHDMBMQE-KRWDZBQOSA-N 1 1 286.350 3.102 20 30 CGEDMO C=C(C)[C@@H](CO)[NH2+][C@@H](CC)c1nc(C(F)(F)F)cs1 ZINC000680401818 543708485 /nfs/dbraw/zinc/70/84/85/543708485.db2.gz OBRBVFPNJQGGIQ-DTWKUNHWSA-N 1 1 294.342 3.140 20 30 CGEDMO CC(C)C[N@H+]1CCCC[C@H]1CNCc1cccc(C#N)c1 ZINC000130834298 287364653 /nfs/dbraw/zinc/36/46/53/287364653.db2.gz LZFXIMITZLLERD-SFHVURJKSA-N 1 1 285.435 3.158 20 30 CGEDMO CC(C)CN1CCCC[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000130834298 287364654 /nfs/dbraw/zinc/36/46/54/287364654.db2.gz LZFXIMITZLLERD-SFHVURJKSA-N 1 1 285.435 3.158 20 30 CGEDMO Cc1ccc2ncc(C[N@@H+](C)Cc3ccc(C#N)cc3)n2c1 ZINC000131209254 287373373 /nfs/dbraw/zinc/37/33/73/287373373.db2.gz VTQMLNLAHLUPNC-UHFFFAOYSA-N 1 1 290.370 3.146 20 30 CGEDMO Cc1ccc2ncc(C[N@H+](C)Cc3ccc(C#N)cc3)n2c1 ZINC000131209254 287373375 /nfs/dbraw/zinc/37/33/75/287373375.db2.gz VTQMLNLAHLUPNC-UHFFFAOYSA-N 1 1 290.370 3.146 20 30 CGEDMO Fc1cccc(O[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)c1 ZINC000683021622 543890685 /nfs/dbraw/zinc/89/06/85/543890685.db2.gz GNCBGCSPLLHBEF-LJQANCHMSA-N 1 1 295.357 3.331 20 30 CGEDMO C=CCCCCCNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000655247876 419032683 /nfs/dbraw/zinc/03/26/83/419032683.db2.gz XSJBSVNJZURYGK-AWEZNQCLSA-N 1 1 277.412 3.259 20 30 CGEDMO C=CC[N@H+](C[C@H](OC)[C@@H]1CCOC1)CC1CCCCC1 ZINC000659918938 419034312 /nfs/dbraw/zinc/03/43/12/419034312.db2.gz CFSMEKDXJYZUMS-SJORKVTESA-N 1 1 281.440 3.106 20 30 CGEDMO C=CCCn1cc(C[N@H+](CC)C2CCCCC2)nn1 ZINC000653495563 419037525 /nfs/dbraw/zinc/03/75/25/419037525.db2.gz UAKXTRROAIFJAH-UHFFFAOYSA-N 1 1 262.401 3.009 20 30 CGEDMO C=C(C)C[N@@H+](CC)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000659830141 419004338 /nfs/dbraw/zinc/00/43/38/419004338.db2.gz YKFGJGBVPVGPGY-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCn1cc(C[NH2+]C2(c3ccc(C)cc3)CCC2)nn1 ZINC000653777342 419082687 /nfs/dbraw/zinc/08/26/87/419082687.db2.gz ZWFCCSDKSHDPHG-UHFFFAOYSA-N 1 1 296.418 3.332 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(SC)cc1)[C@H](C)COC ZINC000661248942 419244767 /nfs/dbraw/zinc/24/47/67/419244767.db2.gz WZEVSECMRCRHAY-CYBMUJFWSA-N 1 1 265.422 3.431 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2nnc(-c3ccco3)o2)C1 ZINC000661377998 419255019 /nfs/dbraw/zinc/25/50/19/419255019.db2.gz YVWGBGWCVXENAD-LBPRGKRZSA-N 1 1 273.336 3.118 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2noc3c2CCCC3)C1 ZINC000661381197 419255070 /nfs/dbraw/zinc/25/50/70/419255070.db2.gz XHQNYFXZNGFSSR-CYBMUJFWSA-N 1 1 260.381 3.342 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2F)C1 ZINC000661378810 419255216 /nfs/dbraw/zinc/25/52/16/419255216.db2.gz MQTMFOROLDOGIN-CQSZACIVSA-N 1 1 290.382 3.442 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cccc(NC(C)=O)c2)C1 ZINC000661378454 419255249 /nfs/dbraw/zinc/25/52/49/419255249.db2.gz GUVBBIFTTOWDQV-OAHLLOKOSA-N 1 1 272.392 3.433 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2noc3c2CCCC3)C1 ZINC000661381198 419255584 /nfs/dbraw/zinc/25/55/84/419255584.db2.gz XHQNYFXZNGFSSR-ZDUSSCGKSA-N 1 1 260.381 3.342 20 30 CGEDMO C=CCCN1CC[N@@H+](CCC=C)Cc2cc(O)ccc21 ZINC000661021329 419221623 /nfs/dbraw/zinc/22/16/23/419221623.db2.gz OQJMRZDBHVNTBN-UHFFFAOYSA-N 1 1 272.392 3.166 20 30 CGEDMO C=CC[N@H+](Cc1nccn1CC(F)(F)F)C(C)(C)C ZINC000661756034 419294883 /nfs/dbraw/zinc/29/48/83/419294883.db2.gz AJJLNDOFCQZRLM-UHFFFAOYSA-N 1 1 275.318 3.232 20 30 CGEDMO C=CC[N@@H+](Cc1nccn1CC(F)(F)F)C(C)(C)C ZINC000661756034 419294885 /nfs/dbraw/zinc/29/48/85/419294885.db2.gz AJJLNDOFCQZRLM-UHFFFAOYSA-N 1 1 275.318 3.232 20 30 CGEDMO C=CC[N@H+](CC(=O)N1CCCC[C@@H]1CC)C(C)(C)C ZINC000661755222 419294996 /nfs/dbraw/zinc/29/49/96/419294996.db2.gz JNPOJVOCSVWDDJ-AWEZNQCLSA-N 1 1 266.429 3.064 20 30 CGEDMO C=CC[N@@H+](Cc1nnc(-c2ccccc2)n1C)C(C)(C)C ZINC000661760301 419295753 /nfs/dbraw/zinc/29/57/53/419295753.db2.gz PRGXJAMMEOWCOV-UHFFFAOYSA-N 1 1 284.407 3.269 20 30 CGEDMO C=CC[N@H+](Cc1nnc(-c2ccccc2)n1C)C(C)(C)C ZINC000661760301 419295754 /nfs/dbraw/zinc/29/57/54/419295754.db2.gz PRGXJAMMEOWCOV-UHFFFAOYSA-N 1 1 284.407 3.269 20 30 CGEDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cc1nc(C#N)cs1 ZINC000356139519 228136839 /nfs/dbraw/zinc/13/68/39/228136839.db2.gz SQHJSXSSXGBNOH-HIFRSBDPSA-N 1 1 297.427 3.468 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)N(C)Cc1ccccc1 ZINC000662083068 419333375 /nfs/dbraw/zinc/33/33/75/419333375.db2.gz ZLVRAVUHJPJDOO-NXHRZFHOSA-N 1 1 298.430 3.217 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)Cc1ccccc1C ZINC000662079496 419333494 /nfs/dbraw/zinc/33/34/94/419333494.db2.gz GROAKHIHYQXHQE-HDICACEKSA-N 1 1 298.430 3.136 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000662083001 419333599 /nfs/dbraw/zinc/33/35/99/419333599.db2.gz ZCNYDKHBMAVTHS-JJTUDDRGSA-N 1 1 290.451 3.347 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCN1CCc2ccccc21 ZINC000662090317 419334647 /nfs/dbraw/zinc/33/46/47/419334647.db2.gz MODHGLQYSWWFMV-CALCHBBNSA-N 1 1 268.404 3.232 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccc(C)c(C)c1 ZINC000662084541 419335053 /nfs/dbraw/zinc/33/50/53/419335053.db2.gz SPAWFGNPYXEBLT-CALCHBBNSA-N 1 1 284.403 3.425 20 30 CGEDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000745948636 572841834 /nfs/dbraw/zinc/84/18/34/572841834.db2.gz OJEGMPFDWITATF-HIFRSBDPSA-N 1 1 258.365 3.209 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](C[C@H](CN)c2ccc(OC)cc2)C1 ZINC000662298331 419388446 /nfs/dbraw/zinc/38/84/46/419388446.db2.gz BFIGGHQCVWCLRP-WBVHZDCISA-N 1 1 288.435 3.026 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](C[C@H](CN)c2ccc(OC)cc2)C1 ZINC000662298331 419388451 /nfs/dbraw/zinc/38/84/51/419388451.db2.gz BFIGGHQCVWCLRP-WBVHZDCISA-N 1 1 288.435 3.026 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)Cc1cc(COC)on1 ZINC000297569116 260129152 /nfs/dbraw/zinc/12/91/52/260129152.db2.gz CTBWSEQSUSTDTA-UHFFFAOYSA-N 1 1 286.375 3.052 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1cc(COC)on1 ZINC000297569116 260129154 /nfs/dbraw/zinc/12/91/54/260129154.db2.gz CTBWSEQSUSTDTA-UHFFFAOYSA-N 1 1 286.375 3.052 20 30 CGEDMO C=CC[N@H+](C)Cc1cc(Cl)c(O)c(OCC)c1 ZINC000297780558 260134319 /nfs/dbraw/zinc/13/43/19/260134319.db2.gz WEGYVGBOKZARJW-UHFFFAOYSA-N 1 1 255.745 3.062 20 30 CGEDMO Cc1cc(C[N@@H+](C)C[C@H](C)C#N)c2ccccc2n1 ZINC000080121234 260178148 /nfs/dbraw/zinc/17/81/48/260178148.db2.gz FWXOXWFOQUKKNH-GFCCVEGCSA-N 1 1 253.349 3.135 20 30 CGEDMO Cc1cc(C[N@H+](C)C[C@H](C)C#N)c2ccccc2n1 ZINC000080121234 260178149 /nfs/dbraw/zinc/17/81/49/260178149.db2.gz FWXOXWFOQUKKNH-GFCCVEGCSA-N 1 1 253.349 3.135 20 30 CGEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)CCC(C)(C)C#N ZINC000088194820 260229138 /nfs/dbraw/zinc/22/91/38/260229138.db2.gz VWHXZVHLYZXMFW-CQSZACIVSA-N 1 1 274.408 3.498 20 30 CGEDMO COc1ccc(Cl)cc1C[N@@H+](C)CCCCC#N ZINC000078731409 260301846 /nfs/dbraw/zinc/30/18/46/260301846.db2.gz QQZLXFFTEHSYMF-UHFFFAOYSA-N 1 1 266.772 3.474 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)o1)Cc1ccc(N(C)C)cc1 ZINC000156840278 261133742 /nfs/dbraw/zinc/13/37/42/261133742.db2.gz VWORIESELQSPFQ-UHFFFAOYSA-N 1 1 283.375 3.239 20 30 CGEDMO CCOC[C@@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000174862635 261200417 /nfs/dbraw/zinc/20/04/17/261200417.db2.gz RZFVRAXHRMKKDJ-CQSZACIVSA-N 1 1 252.402 3.065 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@@H+](C)Cc2ccco2)cc1 ZINC000162168915 261272466 /nfs/dbraw/zinc/27/24/66/261272466.db2.gz CLXAXTFWDBMIBW-UHFFFAOYSA-N 1 1 283.375 3.261 20 30 CGEDMO CC[N@@H+](CCC#N)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000497272617 262130139 /nfs/dbraw/zinc/13/01/39/262130139.db2.gz SDSJUTZLECDPKD-AWEZNQCLSA-N 1 1 295.427 3.012 20 30 CGEDMO N#C[C@H]1CCC[C@H]([NH2+]Cc2ncc(-c3ccccc3)cn2)C1 ZINC000193289532 262219309 /nfs/dbraw/zinc/21/93/09/262219309.db2.gz AXXUUQYMPLAFFP-YOEHRIQHSA-N 1 1 292.386 3.316 20 30 CGEDMO CCC[N@@H+](CCCCC(C)(C)C#N)CC(C)(C)O ZINC000336784639 262394692 /nfs/dbraw/zinc/39/46/92/262394692.db2.gz UIEGCNBQAHNQHE-UHFFFAOYSA-N 1 1 254.418 3.189 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000336845420 262399201 /nfs/dbraw/zinc/39/92/01/262399201.db2.gz QCELDONYZMEDLK-INIZCTEOSA-N 1 1 287.407 3.255 20 30 CGEDMO C[C@@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)C[C@@H](C)C1 ZINC000337196349 262431754 /nfs/dbraw/zinc/43/17/54/262431754.db2.gz XIPDOCDHSOCYAO-CVEARBPZSA-N 1 1 278.440 3.455 20 30 CGEDMO C=CCCc1ccccc1NC(=O)NCCn1cc[nH+]c1C ZINC000337581996 262460932 /nfs/dbraw/zinc/46/09/32/262460932.db2.gz CKNBGNNLDBHEAI-UHFFFAOYSA-N 1 1 298.390 3.132 20 30 CGEDMO COCC[N@@H+](CCCSCC#N)[C@@H](C)c1ccccc1 ZINC000266696115 262918408 /nfs/dbraw/zinc/91/84/08/262918408.db2.gz DJWFFPAJOHBSAX-HNNXBMFYSA-N 1 1 292.448 3.343 20 30 CGEDMO COCC[N@@H+](CCC(C)(C)C#N)Cc1ccccc1 ZINC000272005764 263001237 /nfs/dbraw/zinc/00/12/37/263001237.db2.gz JAAFBFYAAWEREY-UHFFFAOYSA-N 1 1 260.381 3.075 20 30 CGEDMO COC(=O)c1oc([C@@H](C)[NH+]2CCC(C)(C#N)CC2)cc1C ZINC000272486934 263005268 /nfs/dbraw/zinc/00/52/68/263005268.db2.gz BRBWXPZLGUCOSO-GFCCVEGCSA-N 1 1 290.363 3.061 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)cc1 ZINC000438371420 263054552 /nfs/dbraw/zinc/05/45/52/263054552.db2.gz FWGJMDGSJAAMKF-SOUVJXGZSA-N 1 1 275.392 3.249 20 30 CGEDMO Cc1ccc([C@H]([NH2+]CCCC#N)c2ccccn2)cc1 ZINC000280158534 263059535 /nfs/dbraw/zinc/05/95/35/263059535.db2.gz RWUDGYPHOSELGI-KRWDZBQOSA-N 1 1 265.360 3.373 20 30 CGEDMO CC[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccncc1 ZINC000281146698 263066849 /nfs/dbraw/zinc/06/68/49/263066849.db2.gz BCDCYUIPIIWWGZ-UHFFFAOYSA-N 1 1 287.407 3.004 20 30 CGEDMO C[N@@H+](CCCC1(C#N)CCOCC1)Cc1cccs1 ZINC000282019851 263073627 /nfs/dbraw/zinc/07/36/27/263073627.db2.gz PCKSWHTXDQMMCP-UHFFFAOYSA-N 1 1 278.421 3.280 20 30 CGEDMO C[C@H](c1ccccn1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000282143072 263074605 /nfs/dbraw/zinc/07/46/05/263074605.db2.gz ZRFKAINNUJZOGR-OAHLLOKOSA-N 1 1 287.407 3.175 20 30 CGEDMO COc1ccc(Cl)cc1C[N@@H+](C)[C@@H]1CC[C@H](C#N)C1 ZINC000284318309 263086480 /nfs/dbraw/zinc/08/64/80/263086480.db2.gz PMSZSDQQPPTTDY-SMDDNHRTSA-N 1 1 278.783 3.473 20 30 CGEDMO Cc1cc(C/N=C/c2ccccc2O)cc(N2CCCC2)[nH+]1 ZINC000290670563 263118184 /nfs/dbraw/zinc/11/81/84/263118184.db2.gz YQPNJLSHBUQMRL-CPNJWEJPSA-N 1 1 295.386 3.315 20 30 CGEDMO N#CCCOCC[N@H+](Cc1ccccc1Cl)CC1CC1 ZINC000293661404 263146348 /nfs/dbraw/zinc/14/63/48/263146348.db2.gz UAHXYLITCUAXJI-UHFFFAOYSA-N 1 1 292.810 3.482 20 30 CGEDMO C=C[C@@H](CO)[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000353569975 263174912 /nfs/dbraw/zinc/17/49/12/263174912.db2.gz CVXCDSDINGJSDI-AAEUAGOBSA-N 1 1 274.389 3.008 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)Nc1ccccc1C ZINC000120113444 263281621 /nfs/dbraw/zinc/28/16/21/263281621.db2.gz BPSCVXGNRHMQER-CQSZACIVSA-N 1 1 260.381 3.220 20 30 CGEDMO COCC1(C#N)CC[NH+]([C@@H](C)c2nc3ccccc3o2)CC1 ZINC000341979601 263369672 /nfs/dbraw/zinc/36/96/72/263369672.db2.gz BNXCDKRVWKSPQM-ZDUSSCGKSA-N 1 1 299.374 3.141 20 30 CGEDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCC[C@@H]1C#N ZINC000330822934 264047798 /nfs/dbraw/zinc/04/77/98/264047798.db2.gz HRDYFZRIMPDQQI-ZOWXZIJZSA-N 1 1 273.336 3.246 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000425413970 264292093 /nfs/dbraw/zinc/29/20/93/264292093.db2.gz FHOYAUGXYBJRMR-CQSZACIVSA-N 1 1 266.429 3.064 20 30 CGEDMO C=CCOCC[N@@H+]1CCCC[C@@H]1CCC(=O)OC(C)(C)C ZINC000425480872 264349017 /nfs/dbraw/zinc/34/90/17/264349017.db2.gz RFXOZTXIBMDIQP-OAHLLOKOSA-N 1 1 297.439 3.165 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCOC3(CCC3)C2)c1 ZINC000130510495 264352437 /nfs/dbraw/zinc/35/24/37/264352437.db2.gz YOVIAVCGXCWZDB-UHFFFAOYSA-N 1 1 273.376 3.006 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCOC3(CCC3)C2)c1 ZINC000130510495 264352440 /nfs/dbraw/zinc/35/24/40/264352440.db2.gz YOVIAVCGXCWZDB-UHFFFAOYSA-N 1 1 273.376 3.006 20 30 CGEDMO CC(C)[C@@H]1CN(C)CC[N@H+]1CCC1(C#N)CCCCC1 ZINC000425483573 264358673 /nfs/dbraw/zinc/35/86/73/264358673.db2.gz RKROFRZYQSMDNP-INIZCTEOSA-N 1 1 277.456 3.123 20 30 CGEDMO CC(C)[C@@H]1C[N@H+](C)CCN1CCC1(C#N)CCCCC1 ZINC000425483573 264358676 /nfs/dbraw/zinc/35/86/76/264358676.db2.gz RKROFRZYQSMDNP-INIZCTEOSA-N 1 1 277.456 3.123 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](C)CCN1CCC1(C#N)CCCCC1 ZINC000425483573 264358677 /nfs/dbraw/zinc/35/86/77/264358677.db2.gz RKROFRZYQSMDNP-INIZCTEOSA-N 1 1 277.456 3.123 20 30 CGEDMO C[N@@H+](Cc1ccc(F)cc1)Cc1cccc(C#N)c1 ZINC000042267250 270032070 /nfs/dbraw/zinc/03/20/70/270032070.db2.gz OVNAKNKUSMUKHY-UHFFFAOYSA-N 1 1 254.308 3.329 20 30 CGEDMO CC(C)CC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000096466068 265367898 /nfs/dbraw/zinc/36/78/98/265367898.db2.gz OHLVWSANPJPWFM-UHFFFAOYSA-N 1 1 285.391 3.007 20 30 CGEDMO COc1cccc2c1CC[N@@H+](Cc1ccccc1C#N)CC2 ZINC000193703847 270079707 /nfs/dbraw/zinc/07/97/07/270079707.db2.gz PXHZNHGPEHNKJN-UHFFFAOYSA-N 1 1 292.382 3.168 20 30 CGEDMO CCCN(CC#N)C(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000357592326 266331370 /nfs/dbraw/zinc/33/13/70/266331370.db2.gz ISEBQTPTKDJJGS-UHFFFAOYSA-N 1 1 299.418 3.047 20 30 CGEDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000399758856 266385936 /nfs/dbraw/zinc/38/59/36/266385936.db2.gz NTDJAWMHVCLNHW-IUODEOHRSA-N 1 1 258.365 3.187 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@H](c2ccccn2)C2CCC2)o1 ZINC000527774377 270135290 /nfs/dbraw/zinc/13/52/90/270135290.db2.gz TVSNNXDNWIUKAD-INIZCTEOSA-N 1 1 267.332 3.177 20 30 CGEDMO C=C[C@@H](C)NC(=O)c1ccc(C[N@H+](CC)CCC)cc1 ZINC000362616894 267024211 /nfs/dbraw/zinc/02/42/11/267024211.db2.gz YZKHPHYTGSIAJB-CQSZACIVSA-N 1 1 274.408 3.223 20 30 CGEDMO CCCc1csc(C[NH2+]Cc2ccc(C#N)s2)n1 ZINC000421354938 267042840 /nfs/dbraw/zinc/04/28/40/267042840.db2.gz XWRCISYIPQHXRV-UHFFFAOYSA-N 1 1 277.418 3.319 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCOC1CCC1 ZINC000367722986 267112742 /nfs/dbraw/zinc/11/27/42/267112742.db2.gz CMNBLODJCKWAJX-ROUUACIJSA-N 1 1 284.403 3.327 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCOC1CCC1 ZINC000367722986 267112746 /nfs/dbraw/zinc/11/27/46/267112746.db2.gz CMNBLODJCKWAJX-ROUUACIJSA-N 1 1 284.403 3.327 20 30 CGEDMO N#CCCCC[N@@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000368903582 267211975 /nfs/dbraw/zinc/21/19/75/267211975.db2.gz YDGSTKXKXCFQCX-SJORKVTESA-N 1 1 272.392 3.268 20 30 CGEDMO N#CC1(C[NH2+]C/C=C/c2ccc(F)c(F)c2)CCC1 ZINC000418141510 267364151 /nfs/dbraw/zinc/36/41/51/267364151.db2.gz LEAKFLJCBWCTRA-HNQUOIGGSA-N 1 1 262.303 3.261 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)CC(=O)Nc1ccccc1 ZINC000122878956 274276163 /nfs/dbraw/zinc/27/61/63/274276163.db2.gz WRRJWXAAJUMYKN-AWEZNQCLSA-N 1 1 293.370 3.190 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)CC(=O)Nc1ccccc1 ZINC000122878956 274276164 /nfs/dbraw/zinc/27/61/64/274276164.db2.gz WRRJWXAAJUMYKN-AWEZNQCLSA-N 1 1 293.370 3.190 20 30 CGEDMO CCC[C@@]1(CO)CC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000288899705 276036973 /nfs/dbraw/zinc/03/69/73/276036973.db2.gz SMCGGPZADUYIHW-RHSMWYFYSA-N 1 1 272.392 3.104 20 30 CGEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)cc2)C12CCC2 ZINC000120918589 276350247 /nfs/dbraw/zinc/35/02/47/276350247.db2.gz YMKUQGRPGBHLOE-DLBZAZTESA-N 1 1 284.403 3.338 20 30 CGEDMO C[C@H](NCC1([NH+](C)C)CCCC1)c1ccc(C#N)cc1 ZINC000160713063 278255972 /nfs/dbraw/zinc/25/59/72/278255972.db2.gz PHRSNODWXJPOLZ-AWEZNQCLSA-N 1 1 271.408 3.083 20 30 CGEDMO C[C@@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(C#N)cc1 ZINC000181859909 278370499 /nfs/dbraw/zinc/37/04/99/278370499.db2.gz CCDWPUCWVOBBSS-XYPHTWIQSA-N 1 1 271.408 3.082 20 30 CGEDMO CC[C@H](NCC[N@@H+]1CCCC1(C)C)c1ccc(C#N)cc1 ZINC000453393154 288041412 /nfs/dbraw/zinc/04/14/12/288041412.db2.gz IEVFYEPYCPRJGS-KRWDZBQOSA-N 1 1 285.435 3.473 20 30 CGEDMO CC[C@H](NCC[N@H+]1CCCC1(C)C)c1ccc(C#N)cc1 ZINC000453393154 288041414 /nfs/dbraw/zinc/04/14/14/288041414.db2.gz IEVFYEPYCPRJGS-KRWDZBQOSA-N 1 1 285.435 3.473 20 30 CGEDMO C[C@H]([NH2+][C@H]1C[C@H](C)n2ccnc21)c1ccc(C#N)cc1 ZINC000294036723 279553566 /nfs/dbraw/zinc/55/35/66/279553566.db2.gz IJKTWTAXVOCUIQ-HUBLWGQQSA-N 1 1 266.348 3.111 20 30 CGEDMO Cc1oc(NC(=O)C[N@H+](C)[C@@H](C)C(C)(C)C)c(C#N)c1C ZINC000532490595 288364554 /nfs/dbraw/zinc/36/45/54/288364554.db2.gz GRAKRADPPCMOJZ-LBPRGKRZSA-N 1 1 291.395 3.073 20 30 CGEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1[C@H](C)C[C@H]1C ZINC000547769607 288975695 /nfs/dbraw/zinc/97/56/95/288975695.db2.gz CLMRIELNVAWATE-MXWKQRLJSA-N 1 1 291.782 3.021 20 30 CGEDMO COC(=O)c1cccc(C[NH2+][C@H](C)c2ccccc2)c1C#N ZINC000553312081 289218246 /nfs/dbraw/zinc/21/82/46/289218246.db2.gz TUQIMYMRPYJBDH-CYBMUJFWSA-N 1 1 294.354 3.196 20 30 CGEDMO C[C@H]1CN(c2ccc(C#N)cc2F)CC[N@H+](C2CCC2)C1 ZINC000292348275 300296665 /nfs/dbraw/zinc/29/66/65/300296665.db2.gz QNPBBFWTKQAQGF-CYBMUJFWSA-N 1 1 287.382 3.008 20 30 CGEDMO N#CCC[N@H+](CC1CC1)C[C@H]1CCC2(CCCCC2)O1 ZINC000190978457 303152346 /nfs/dbraw/zinc/15/23/46/303152346.db2.gz SNEDJBMBWRZXTL-MRXNPFEDSA-N 1 1 276.424 3.494 20 30 CGEDMO N#CCC[N@@H+](CC1CC1)C[C@H]1CCC2(CCCCC2)O1 ZINC000190978457 303152349 /nfs/dbraw/zinc/15/23/49/303152349.db2.gz SNEDJBMBWRZXTL-MRXNPFEDSA-N 1 1 276.424 3.494 20 30 CGEDMO N#CCC[NH2+]C[C@@H](OCC1CC1)c1ccc(Cl)cc1 ZINC000563010168 327754054 /nfs/dbraw/zinc/75/40/54/327754054.db2.gz CJHVWSDBECSIDC-OAHLLOKOSA-N 1 1 278.783 3.311 20 30 CGEDMO CCc1ccc(NC(=O)C[NH+]2CCC(CCC#N)CC2)cc1 ZINC000563066549 327868180 /nfs/dbraw/zinc/86/81/80/327868180.db2.gz UHLMRFKUXAORTB-UHFFFAOYSA-N 1 1 299.418 3.203 20 30 CGEDMO N#CCCC[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1ccco1 ZINC000268398179 328184883 /nfs/dbraw/zinc/18/48/83/328184883.db2.gz TWJJHDHTXPEWAM-LSDHHAIUSA-N 1 1 276.380 3.251 20 30 CGEDMO C[N@H+](Cc1nc(-c2ccccc2)c[nH]1)[C@H]1CC[C@@H](C#N)C1 ZINC000278623451 328228721 /nfs/dbraw/zinc/22/87/21/328228721.db2.gz NMYXQXTUBPTWSP-HIFRSBDPSA-N 1 1 280.375 3.201 20 30 CGEDMO C[N@@H+](Cc1nc(-c2ccccc2)c[nH]1)[C@H]1CC[C@@H](C#N)C1 ZINC000278623451 328228722 /nfs/dbraw/zinc/22/87/22/328228722.db2.gz NMYXQXTUBPTWSP-HIFRSBDPSA-N 1 1 280.375 3.201 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000290779255 328260312 /nfs/dbraw/zinc/26/03/12/328260312.db2.gz CTNVUSUWAXIXHI-ZDUSSCGKSA-N 1 1 280.803 3.113 20 30 CGEDMO CCc1ccc([C@H](CO)[NH2+]Cc2ccc(C#N)cc2F)cc1 ZINC000160786792 321857448 /nfs/dbraw/zinc/85/74/48/321857448.db2.gz GJGXNNAJDJQLGQ-SFHVURJKSA-N 1 1 298.361 3.083 20 30 CGEDMO Cc1nsc(Nc2ccc3c(c2)[nH+]c(C)n3C)c1C#N ZINC000563564064 322003100 /nfs/dbraw/zinc/00/31/00/322003100.db2.gz KRALKDALZWHSOF-UHFFFAOYSA-N 1 1 283.360 3.262 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000563853856 322012688 /nfs/dbraw/zinc/01/26/88/322012688.db2.gz PBVDVDZCWIUZAH-UHFFFAOYSA-N 1 1 275.355 3.243 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCC=C(c2ccccn2)C1 ZINC000563853856 322012691 /nfs/dbraw/zinc/01/26/91/322012691.db2.gz PBVDVDZCWIUZAH-UHFFFAOYSA-N 1 1 275.355 3.243 20 30 CGEDMO C[N@@H+](Cc1cnc2c(C#N)cnn2c1)C1CCC(C)(C)CC1 ZINC000564988818 322052561 /nfs/dbraw/zinc/05/25/61/322052561.db2.gz LDGXDEPUXQSPIY-UHFFFAOYSA-N 1 1 297.406 3.002 20 30 CGEDMO CC(C)[N@@H+](C)C[C@H](O)CSc1ccc(C#N)cc1Cl ZINC000565962393 322098744 /nfs/dbraw/zinc/09/87/44/322098744.db2.gz ISGIDRRMRXDETR-LBPRGKRZSA-N 1 1 298.839 3.005 20 30 CGEDMO N#Cc1ccc2c(c1)CCCC[C@H]2N[C@@H]1CCCC[C@H]1[NH3+] ZINC000568501450 322211536 /nfs/dbraw/zinc/21/15/36/322211536.db2.gz NOTRFKCXXPCCIZ-KZNAEPCWSA-N 1 1 283.419 3.185 20 30 CGEDMO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1CCCC[C@H]1N ZINC000568501450 322211537 /nfs/dbraw/zinc/21/15/37/322211537.db2.gz NOTRFKCXXPCCIZ-KZNAEPCWSA-N 1 1 283.419 3.185 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](c3ccncc3)C2)c1 ZINC000570236962 322268526 /nfs/dbraw/zinc/26/85/26/322268526.db2.gz OLNYXZPBSUSJSJ-OAHLLOKOSA-N 1 1 281.334 3.082 20 30 CGEDMO Cc1ccnc([C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c1 ZINC000570341540 322271224 /nfs/dbraw/zinc/27/12/24/322271224.db2.gz IYPGQCXNODACEM-KRWDZBQOSA-N 1 1 277.371 3.251 20 30 CGEDMO CC1(C)CCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000572606416 322346090 /nfs/dbraw/zinc/34/60/90/322346090.db2.gz RDIYLHYGXBFVNW-UHFFFAOYSA-N 1 1 287.363 3.479 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])CC1CC1 ZINC000573328512 322382507 /nfs/dbraw/zinc/38/25/07/322382507.db2.gz OZHJAPCTQQDORU-UHFFFAOYSA-N 1 1 273.336 3.088 20 30 CGEDMO C=CCC[C@H]([NH2+]Cc1ncnn1CCF)c1ccccc1 ZINC000281618571 328499876 /nfs/dbraw/zinc/49/98/76/328499876.db2.gz JWLNYYPELPTJEY-HNNXBMFYSA-N 1 1 288.370 3.045 20 30 CGEDMO C#CC[C@@H]([NH2+][C@@H](C)c1cc(C)n(C)n1)c1ccccc1 ZINC000282307055 328508594 /nfs/dbraw/zinc/50/85/94/328508594.db2.gz SWKQBANBOXKQIK-GOEBONIOSA-N 1 1 267.376 3.144 20 30 CGEDMO CC1(C#N)CC[NH+](Cc2conc2Cc2ccccc2)CC1 ZINC000556833845 326970146 /nfs/dbraw/zinc/97/01/46/326970146.db2.gz KLEXWZWBKTZBJL-UHFFFAOYSA-N 1 1 295.386 3.391 20 30 CGEDMO CC[C@H](CC#N)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000568996600 327027758 /nfs/dbraw/zinc/02/77/58/327027758.db2.gz DEBVVHOQRJPPPG-VXGBXAGGSA-N 1 1 261.325 3.246 20 30 CGEDMO C=CCCC[N@@H+](C[C@@H](C)c1ccccc1)[C@@H](C)CO ZINC000558135749 327074902 /nfs/dbraw/zinc/07/49/02/327074902.db2.gz AUBQEINVCOQBJX-CVEARBPZSA-N 1 1 261.409 3.439 20 30 CGEDMO CC#CCC[N@@H+]1CCCn2c(cc3ccccc32)C1 ZINC000558172512 327077094 /nfs/dbraw/zinc/07/70/94/327077094.db2.gz AGHQQSXCWFFVGG-UHFFFAOYSA-N 1 1 252.361 3.260 20 30 CGEDMO CC#CCC[N@H+]1CCCn2c(cc3ccccc32)C1 ZINC000558172512 327077095 /nfs/dbraw/zinc/07/70/95/327077095.db2.gz AGHQQSXCWFFVGG-UHFFFAOYSA-N 1 1 252.361 3.260 20 30 CGEDMO C[C@@H](c1ccco1)[N@@H+](CCCSCC#N)C1CC1 ZINC000086233769 327156382 /nfs/dbraw/zinc/15/63/82/327156382.db2.gz HHBRZGDIYONXOY-LBPRGKRZSA-N 1 1 264.394 3.452 20 30 CGEDMO C=CC[N@H+](CCCCC#N)Cc1ccc(OC)cc1 ZINC000102397666 327227046 /nfs/dbraw/zinc/22/70/46/327227046.db2.gz GTRHDXHTLTWEBK-UHFFFAOYSA-N 1 1 258.365 3.377 20 30 CGEDMO C=CCOCC[N@@H+]1CC[C@@H](c2ccc(CC)cc2)C1 ZINC000561039676 327360392 /nfs/dbraw/zinc/36/03/92/327360392.db2.gz IAGAFGFSQXUUDD-QGZVFWFLSA-N 1 1 259.393 3.241 20 30 CGEDMO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1nc(-c2ccccc2C)no1 ZINC000562554696 327491721 /nfs/dbraw/zinc/49/17/21/327491721.db2.gz YJVWHXVEJCURBQ-YUELXQCFSA-N 1 1 299.374 3.039 20 30 CGEDMO C[C@@H]1Cc2[nH+]cn(Cc3ccc(CC#N)cc3)c2C[C@H]1C ZINC000399148429 328668488 /nfs/dbraw/zinc/66/84/88/328668488.db2.gz XXNTXLFGEIJDGK-ZIAGYGMSSA-N 1 1 279.387 3.368 20 30 CGEDMO C=C1CC[NH+](Cc2cncn2Cc2ccccc2)CC1 ZINC000527074157 328823843 /nfs/dbraw/zinc/82/38/43/328823843.db2.gz BQONCIMQZWFOPL-UHFFFAOYSA-N 1 1 267.376 3.083 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC[C@@H]2c2cc(C)on2)cc1 ZINC000377545479 329018235 /nfs/dbraw/zinc/01/82/35/329018235.db2.gz YFEMUHOOAZPEGM-QGZVFWFLSA-N 1 1 266.344 3.301 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C)on2)cc1 ZINC000377545479 329018236 /nfs/dbraw/zinc/01/82/36/329018236.db2.gz YFEMUHOOAZPEGM-QGZVFWFLSA-N 1 1 266.344 3.301 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)Cc1cnn(C=C)c1 ZINC000193801966 329063004 /nfs/dbraw/zinc/06/30/04/329063004.db2.gz UKPWEJBQXVKFFZ-UHFFFAOYSA-N 1 1 267.376 3.214 20 30 CGEDMO C#CC[N@H+](Cc1ccc(Br)cn1)C1CCCC1 ZINC000176387515 329174497 /nfs/dbraw/zinc/17/44/97/329174497.db2.gz BCPZJGJDJLXOGJ-UHFFFAOYSA-N 1 1 293.208 3.222 20 30 CGEDMO C=CC[NH+]1CCC(N[C@H](CC(C)C)c2ccccn2)CC1 ZINC000177905311 329190177 /nfs/dbraw/zinc/19/01/77/329190177.db2.gz DPSIYVDKANGBAQ-GOSISDBHSA-N 1 1 287.451 3.409 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCn3cccc3[C@H]2C)cc1 ZINC000179565446 329209682 /nfs/dbraw/zinc/20/96/82/329209682.db2.gz GTIHSTFXJAYEHX-LSDHHAIUSA-N 1 1 295.386 3.356 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCn3cccc3[C@H]2C)cc1 ZINC000179565446 329209684 /nfs/dbraw/zinc/20/96/84/329209684.db2.gz GTIHSTFXJAYEHX-LSDHHAIUSA-N 1 1 295.386 3.356 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000181277693 329229058 /nfs/dbraw/zinc/22/90/58/329229058.db2.gz SLCDVZDZHKGRRB-GFCCVEGCSA-N 1 1 287.363 3.314 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)c1nc(-c2ccc(OC)cc2)no1 ZINC000181277693 329229059 /nfs/dbraw/zinc/22/90/59/329229059.db2.gz SLCDVZDZHKGRRB-GFCCVEGCSA-N 1 1 287.363 3.314 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)Nc1nc2c(s1)C[N@H+](CC)CC2 ZINC000184901891 329265550 /nfs/dbraw/zinc/26/55/50/329265550.db2.gz MVGFTYSPGYNSIY-LLVKDONJSA-N 1 1 293.436 3.062 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)Nc1nc2c(s1)C[N@@H+](CC)CC2 ZINC000184901891 329265552 /nfs/dbraw/zinc/26/55/52/329265552.db2.gz MVGFTYSPGYNSIY-LLVKDONJSA-N 1 1 293.436 3.062 20 30 CGEDMO N#CCC[N@@H+](Cc1ccco1)CC1Cc2ccccc2C1 ZINC000583056420 329305047 /nfs/dbraw/zinc/30/50/47/329305047.db2.gz JTZRZIOENKFISX-UHFFFAOYSA-N 1 1 280.371 3.410 20 30 CGEDMO N#CCC[N@H+](Cc1ccco1)CC1Cc2ccccc2C1 ZINC000583056420 329305049 /nfs/dbraw/zinc/30/50/49/329305049.db2.gz JTZRZIOENKFISX-UHFFFAOYSA-N 1 1 280.371 3.410 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@]2(C)CO)cc1Cl ZINC000530359163 329356048 /nfs/dbraw/zinc/35/60/48/329356048.db2.gz BVHPFXVIFYNRED-INIZCTEOSA-N 1 1 295.810 3.252 20 30 CGEDMO C=C(C)[C@@H]([NH2+][C@@H](C)C(=O)NCCC)c1ccc(F)c(F)c1 ZINC000187762956 329360437 /nfs/dbraw/zinc/36/04/37/329360437.db2.gz MLGKDDKVBUQBJL-XHDPSFHLSA-N 1 1 296.361 3.086 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000073106628 329860360 /nfs/dbraw/zinc/86/03/60/329860360.db2.gz BKMVBYZFFVYBOU-UHFFFAOYSA-N 1 1 265.784 3.420 20 30 CGEDMO N#CCC[C@H](C#N)C[N@@H+]1CCSC2(CCCCC2)C1 ZINC000079771546 330057192 /nfs/dbraw/zinc/05/71/92/330057192.db2.gz QEOZJWIOCMVVDF-CQSZACIVSA-N 1 1 277.437 3.182 20 30 CGEDMO N#CCC[C@H](C#N)C[N@H+]1CCSC2(CCCCC2)C1 ZINC000079771546 330057194 /nfs/dbraw/zinc/05/71/94/330057194.db2.gz QEOZJWIOCMVVDF-CQSZACIVSA-N 1 1 277.437 3.182 20 30 CGEDMO C=CCn1cc(C[NH2+][C@@H]2CCCCc3ccccc32)nn1 ZINC000424111598 330239919 /nfs/dbraw/zinc/23/99/19/330239919.db2.gz AWNWQRALPXXECJ-QGZVFWFLSA-N 1 1 282.391 3.021 20 30 CGEDMO C=CCn1cc(C[NH2+][C@H](CCC)c2ccccc2)nn1 ZINC000424294310 330335558 /nfs/dbraw/zinc/33/55/58/330335558.db2.gz KNKRYVRSQRNHLH-MRXNPFEDSA-N 1 1 270.380 3.095 20 30 CGEDMO C[C@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000424316778 330339573 /nfs/dbraw/zinc/33/95/73/330339573.db2.gz BJKBUQQHPSFGNR-ONIAQPFYSA-N 1 1 289.467 3.311 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](CC)C(=O)Nc1ccc(OC)cc1 ZINC000119637777 330378031 /nfs/dbraw/zinc/37/80/31/330378031.db2.gz PHSMZJBHYFRWRE-INIZCTEOSA-N 1 1 290.407 3.310 20 30 CGEDMO CC(C)(C)c1cnc(C[NH2+]CC2(CC#N)CC2)s1 ZINC000430034358 330557706 /nfs/dbraw/zinc/55/77/06/330557706.db2.gz JQIFETPYFZJHGF-UHFFFAOYSA-N 1 1 263.410 3.224 20 30 CGEDMO C[N@@H+](CC1(C#N)CCC1)C1CCN(c2ccccc2)CC1 ZINC000450897466 331005664 /nfs/dbraw/zinc/00/56/64/331005664.db2.gz PWRBVEXWYXNIGH-UHFFFAOYSA-N 1 1 283.419 3.281 20 30 CGEDMO C=CCCC[C@@H](C)[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000451224781 331021013 /nfs/dbraw/zinc/02/10/13/331021013.db2.gz BJFDAAKVUNTSEM-OWCLPIDISA-N 1 1 286.419 3.012 20 30 CGEDMO CCO[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C[C@@H]1C ZINC000451524127 331032534 /nfs/dbraw/zinc/03/25/34/331032534.db2.gz DSSDCHYBFXMXBX-YOEHRIQHSA-N 1 1 291.822 3.438 20 30 CGEDMO CCO[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C[C@@H]1C ZINC000451524127 331032535 /nfs/dbraw/zinc/03/25/35/331032535.db2.gz DSSDCHYBFXMXBX-YOEHRIQHSA-N 1 1 291.822 3.438 20 30 CGEDMO CCO[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C[C@@H]1C ZINC000451526837 331032604 /nfs/dbraw/zinc/03/26/04/331032604.db2.gz HBZILEHACDMTFF-WMLDXEAASA-N 1 1 291.822 3.438 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCCc2ccccc2CC1 ZINC000451706311 331039735 /nfs/dbraw/zinc/03/97/35/331039735.db2.gz BXUUHSLOFALIID-UHFFFAOYSA-N 1 1 256.393 3.417 20 30 CGEDMO CC[C@H]1C[N@@H+](CC)CCN1CC#Cc1ccc(Cl)cc1 ZINC000451734344 331040593 /nfs/dbraw/zinc/04/05/93/331040593.db2.gz WPDFNEBTMYPCJG-KRWDZBQOSA-N 1 1 290.838 3.108 20 30 CGEDMO C=CCOCC[N@@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000451877223 331045916 /nfs/dbraw/zinc/04/59/16/331045916.db2.gz HRTMDQAQRAYKCF-INIZCTEOSA-N 1 1 285.391 3.293 20 30 CGEDMO C=CCOCC[N@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000451877223 331045917 /nfs/dbraw/zinc/04/59/17/331045917.db2.gz HRTMDQAQRAYKCF-INIZCTEOSA-N 1 1 285.391 3.293 20 30 CGEDMO Cc1ccc(C[N@@H+](C)CCCSCC#N)cc1C ZINC000452037574 331051303 /nfs/dbraw/zinc/05/13/03/331051303.db2.gz BUPIRQGDVBGGGA-UHFFFAOYSA-N 1 1 262.422 3.382 20 30 CGEDMO C=C(C)CCNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000452721174 331073810 /nfs/dbraw/zinc/07/38/10/331073810.db2.gz GMGQDUJCJSDQRK-AWEZNQCLSA-N 1 1 280.799 3.025 20 30 CGEDMO C=CCC1(NC(=O)NC[C@H](C)[N@@H+](C)C2CC2)CCCCC1 ZINC000458289849 331247435 /nfs/dbraw/zinc/24/74/35/331247435.db2.gz LZQNCKBAYDSMHW-AWEZNQCLSA-N 1 1 293.455 3.047 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1csc(Br)c1 ZINC000164669724 331278554 /nfs/dbraw/zinc/27/85/54/331278554.db2.gz SJUUBDWOXAMGIQ-UHFFFAOYSA-N 1 1 273.199 3.150 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1ccc(Br)cc1 ZINC000164671908 331280731 /nfs/dbraw/zinc/28/07/31/331280731.db2.gz DSYSJEPVALCOGD-UHFFFAOYSA-N 1 1 267.170 3.088 20 30 CGEDMO C[C@H](C[N@@H+](C)CCCC(C)(C)C#N)C(=O)OC(C)(C)C ZINC000459818070 331302081 /nfs/dbraw/zinc/30/20/81/331302081.db2.gz XXHJAMHMBMNPTJ-CYBMUJFWSA-N 1 1 282.428 3.226 20 30 CGEDMO CC#CCC[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000462322659 331319479 /nfs/dbraw/zinc/31/94/79/331319479.db2.gz ZELSMHTVMDMLNT-UHFFFAOYSA-N 1 1 271.282 3.430 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000488437798 332008354 /nfs/dbraw/zinc/00/83/54/332008354.db2.gz XAANGNKUYIPLBF-LBPRGKRZSA-N 1 1 265.319 3.122 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000488989886 332036759 /nfs/dbraw/zinc/03/67/59/332036759.db2.gz VHTJAGAMCOSROT-CYBMUJFWSA-N 1 1 264.344 3.030 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000488989888 332036830 /nfs/dbraw/zinc/03/68/30/332036830.db2.gz VHTJAGAMCOSROT-ZDUSSCGKSA-N 1 1 264.344 3.030 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](CC)C[C@H](C)CC ZINC000489337919 332047392 /nfs/dbraw/zinc/04/73/92/332047392.db2.gz XWUVUYBBLCLOPW-HUUCEWRRSA-N 1 1 268.445 3.168 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](CC)C[C@@H](C)CC ZINC000489337918 332047531 /nfs/dbraw/zinc/04/75/31/332047531.db2.gz XWUVUYBBLCLOPW-GJZGRUSLSA-N 1 1 268.445 3.168 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000489409034 332050647 /nfs/dbraw/zinc/05/06/47/332050647.db2.gz XBXHNMVOANITCY-INIZCTEOSA-N 1 1 267.376 3.413 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nccn1-c1ccccc1 ZINC000489457323 332053798 /nfs/dbraw/zinc/05/37/98/332053798.db2.gz BUSHYZHOSKVLFA-OAHLLOKOSA-N 1 1 267.376 3.413 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nccn1-c1ccccc1 ZINC000489457323 332053799 /nfs/dbraw/zinc/05/37/99/332053799.db2.gz BUSHYZHOSKVLFA-OAHLLOKOSA-N 1 1 267.376 3.413 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+](C)[C@@H]2CC2(C)C)c1C ZINC000489468346 332054643 /nfs/dbraw/zinc/05/46/43/332054643.db2.gz IDPUJVQCEOAMKI-MRXNPFEDSA-N 1 1 274.408 3.204 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@H+](C)[C@@H]2CC2(C)C)c1C ZINC000489468346 332054644 /nfs/dbraw/zinc/05/46/44/332054644.db2.gz IDPUJVQCEOAMKI-MRXNPFEDSA-N 1 1 274.408 3.204 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CCOc1ccc(OC)cc1 ZINC000489502516 332057110 /nfs/dbraw/zinc/05/71/10/332057110.db2.gz YUZJQFZVCPIMBL-CQSZACIVSA-N 1 1 261.365 3.115 20 30 CGEDMO CC#CC[N@@H+](CCC)[C@H](C)C(=O)Nc1ccccc1C ZINC000490025951 332077351 /nfs/dbraw/zinc/07/73/51/332077351.db2.gz JGQNWDHWOHVIRQ-OAHLLOKOSA-N 1 1 272.392 3.057 20 30 CGEDMO CC#CC[N@H+](CCC)[C@H](C)C(=O)Nc1ccccc1C ZINC000490025951 332077353 /nfs/dbraw/zinc/07/73/53/332077353.db2.gz JGQNWDHWOHVIRQ-OAHLLOKOSA-N 1 1 272.392 3.057 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1ccc(F)cc1 ZINC000491679709 332283575 /nfs/dbraw/zinc/28/35/75/332283575.db2.gz GGPOQKXVHKJGPM-MRXNPFEDSA-N 1 1 297.329 3.061 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccc(Cl)cc1 ZINC000491740895 332319906 /nfs/dbraw/zinc/31/99/06/332319906.db2.gz VHBUCGOKOBEFDU-MRXNPFEDSA-N 1 1 283.762 3.014 20 30 CGEDMO C#C[C@H](C)N(C)C(=O)c1ccc(C[N@H+](CC)CCC)cc1 ZINC000491786003 332348612 /nfs/dbraw/zinc/34/86/12/332348612.db2.gz SWWFIRQRTUAKPT-HNNXBMFYSA-N 1 1 286.419 3.012 20 30 CGEDMO C[N@@H+](CCC(=O)NCC(C)(C)CCC#N)C1CCCCC1 ZINC000521731542 333185745 /nfs/dbraw/zinc/18/57/45/333185745.db2.gz MDAXZZUMCHVISL-UHFFFAOYSA-N 1 1 293.455 3.087 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](CC)Cc1cccs1 ZINC000192614613 333237110 /nfs/dbraw/zinc/23/71/10/333237110.db2.gz QOHASAFLYVVHKS-CQSZACIVSA-N 1 1 294.464 3.383 20 30 CGEDMO C=CCCN(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)CCC=C ZINC000545922474 334006512 /nfs/dbraw/zinc/00/65/12/334006512.db2.gz QMSMATFWFGDSIO-IYBDPMFKSA-N 1 1 250.430 3.313 20 30 CGEDMO C=CCCN(C)[C@H]1CCCC[C@H]1[N@H+](C)CCC=C ZINC000545922474 334006513 /nfs/dbraw/zinc/00/65/13/334006513.db2.gz QMSMATFWFGDSIO-IYBDPMFKSA-N 1 1 250.430 3.313 20 30 CGEDMO C=CCCN(C)[C@H]1CCCC[C@H]1[N@@H+](C)CCC=C ZINC000545922474 334006514 /nfs/dbraw/zinc/00/65/14/334006514.db2.gz QMSMATFWFGDSIO-IYBDPMFKSA-N 1 1 250.430 3.313 20 30 CGEDMO C[N@@H+](CCCSCC#N)Cc1ccc(Cl)cc1 ZINC000074981456 334021807 /nfs/dbraw/zinc/02/18/07/334021807.db2.gz QNQCCIGSLZRECD-UHFFFAOYSA-N 1 1 268.813 3.419 20 30 CGEDMO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1cccc(OC(F)F)c1 ZINC000133707406 334050870 /nfs/dbraw/zinc/05/08/70/334050870.db2.gz KZYCZQSZXLKIQI-VXGBXAGGSA-N 1 1 293.317 3.382 20 30 CGEDMO C=C[C@@H](CC(=O)NCC[N@H+](CC)C(C)C)c1ccccc1 ZINC000134666472 334099786 /nfs/dbraw/zinc/09/97/86/334099786.db2.gz HOMQMWIZWVKSBA-INIZCTEOSA-N 1 1 288.435 3.193 20 30 CGEDMO C=C[C@](C)(CC)C(=O)Nc1nc2c(s1)C[N@H+](CC)CC2 ZINC000134858305 334105737 /nfs/dbraw/zinc/10/57/37/334105737.db2.gz CWMRCTBWEAPGQL-OAHLLOKOSA-N 1 1 293.436 3.062 20 30 CGEDMO C=C[C@](C)(CC)C(=O)Nc1nc2c(s1)C[N@@H+](CC)CC2 ZINC000134858305 334105738 /nfs/dbraw/zinc/10/57/38/334105738.db2.gz CWMRCTBWEAPGQL-OAHLLOKOSA-N 1 1 293.436 3.062 20 30 CGEDMO C[N@@H+](CCC[NH2+]CC(C)(C)CCC#N)Cc1ccccc1 ZINC000135134910 334117247 /nfs/dbraw/zinc/11/72/47/334117247.db2.gz FBBMGAPXMDVZLA-UHFFFAOYSA-N 1 1 287.451 3.428 20 30 CGEDMO CN(CCC[NH2+]CC(C)(C)CCC#N)Cc1ccccc1 ZINC000135134910 334117248 /nfs/dbraw/zinc/11/72/48/334117248.db2.gz FBBMGAPXMDVZLA-UHFFFAOYSA-N 1 1 287.451 3.428 20 30 CGEDMO C=CCOCCC[N@H+]1CCCc2cc(OC)ccc2C1 ZINC000548095348 334139424 /nfs/dbraw/zinc/13/94/24/334139424.db2.gz LDGPLVSUHOYXLQ-UHFFFAOYSA-N 1 1 275.392 3.036 20 30 CGEDMO C=C(C)C[N@@H+](CCCN1CCCC1=O)Cc1ccccc1 ZINC000548754275 334170031 /nfs/dbraw/zinc/17/00/31/334170031.db2.gz NYJQLHLTBBWALK-UHFFFAOYSA-N 1 1 286.419 3.077 20 30 CGEDMO COc1ccc2ccccc2c1C[NH2+]C[C@@H](C#N)CCC#N ZINC000548788391 334174176 /nfs/dbraw/zinc/17/41/76/334174176.db2.gz TWRHNVOHMUITOJ-CQSZACIVSA-N 1 1 293.370 3.382 20 30 CGEDMO CC[N@H+](C[C@@H](C)C#N)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000245522374 334200610 /nfs/dbraw/zinc/20/06/10/334200610.db2.gz LTDBVPSSZZHDGI-WCQYABFASA-N 1 1 275.352 3.446 20 30 CGEDMO CC[N@@H+](C[C@@H](C)C#N)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000245522374 334200611 /nfs/dbraw/zinc/20/06/11/334200611.db2.gz LTDBVPSSZZHDGI-WCQYABFASA-N 1 1 275.352 3.446 20 30 CGEDMO CC#CC[N@@H+](C)Cc1ccc(F)c(Br)c1 ZINC000550502800 334223587 /nfs/dbraw/zinc/22/35/87/334223587.db2.gz SCYFVAGOPPLTIA-UHFFFAOYSA-N 1 1 270.145 3.043 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000551006598 334236136 /nfs/dbraw/zinc/23/61/36/334236136.db2.gz SZXNINIPJXQFJX-HNNXBMFYSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C(C)C[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000248248043 334297588 /nfs/dbraw/zinc/29/75/88/334297588.db2.gz RDQRZHQWBAUVCE-UHFFFAOYSA-N 1 1 282.790 3.173 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000248938274 334322313 /nfs/dbraw/zinc/32/23/13/334322313.db2.gz NNYAOGBVDXTNCX-WBVHZDCISA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCCCC[N@@H+](C)[C@@H]1CCN(CC)C[C@@H]1C ZINC000249279080 334331166 /nfs/dbraw/zinc/33/11/66/334331166.db2.gz MVOXXNAXLVFEKQ-JKSUJKDBSA-N 1 1 252.446 3.395 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(CC)C[C@@H]1C ZINC000249279080 334331167 /nfs/dbraw/zinc/33/11/67/334331167.db2.gz MVOXXNAXLVFEKQ-JKSUJKDBSA-N 1 1 252.446 3.395 20 30 CGEDMO N#CCSCCC[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC000090614107 334364929 /nfs/dbraw/zinc/36/49/29/334364929.db2.gz YNJLTQINYGZIAA-UHFFFAOYSA-N 1 1 280.824 3.345 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)cc1 ZINC000576343756 335191941 /nfs/dbraw/zinc/19/19/41/335191941.db2.gz FOLDARYVJXSJGV-QZTJIDSGSA-N 1 1 284.403 3.144 20 30 CGEDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000576758716 335244388 /nfs/dbraw/zinc/24/43/88/335244388.db2.gz DUPGLAZBFFGRHT-IUODEOHRSA-N 1 1 287.363 3.477 20 30 CGEDMO C=CCOCCC[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000581754827 336142443 /nfs/dbraw/zinc/14/24/43/336142443.db2.gz HMWHPCFGBOYUHY-SFHVURJKSA-N 1 1 287.403 3.049 20 30 CGEDMO C[C@H]1CC[C@@]2(CC[N@@H+](CCOc3ccccc3C#N)C2)C1 ZINC000359553102 533732304 /nfs/dbraw/zinc/73/23/04/533732304.db2.gz HEJMWRSCMLUAAO-MAUKXSAKSA-N 1 1 284.403 3.449 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1cccc(OC)n1 ZINC000353298241 526313476 /nfs/dbraw/zinc/31/34/76/526313476.db2.gz VELBKFAYZVTKLY-UHFFFAOYSA-N 1 1 282.387 3.321 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)[C@H](C)c1ccccn1 ZINC000352796694 526562084 /nfs/dbraw/zinc/56/20/84/526562084.db2.gz VAVVYTJUWOYFCI-CQSZACIVSA-N 1 1 286.375 3.306 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H](C)c1ccccn1 ZINC000352796694 526562088 /nfs/dbraw/zinc/56/20/88/526562088.db2.gz VAVVYTJUWOYFCI-CQSZACIVSA-N 1 1 286.375 3.306 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cccs1)[C@H]1C=C[C@H](CO)C1 ZINC000347380518 526570127 /nfs/dbraw/zinc/57/01/27/526570127.db2.gz SFNIWMXAURZKNB-KBPBESRZSA-N 1 1 263.406 3.063 20 30 CGEDMO C=CCOCCC[N@H+](C)Cc1ccc(Cl)s1 ZINC000347970126 526748302 /nfs/dbraw/zinc/74/83/02/526748302.db2.gz LYBLQFRGMAUYBR-UHFFFAOYSA-N 1 1 259.802 3.426 20 30 CGEDMO C=CCOCCC[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000347971814 526754600 /nfs/dbraw/zinc/75/46/00/526754600.db2.gz YTXQLWUORDYPTF-KRWDZBQOSA-N 1 1 259.393 3.286 20 30 CGEDMO C=CCOc1ccc(CN2CC[N@H+](C)C[C@H]2C)cc1Cl ZINC000353584314 526869281 /nfs/dbraw/zinc/86/92/81/526869281.db2.gz GDFLHINEYJTIEJ-CYBMUJFWSA-N 1 1 294.826 3.041 20 30 CGEDMO C=C1CC[NH+](Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000353321977 526906712 /nfs/dbraw/zinc/90/67/12/526906712.db2.gz SGQGXEJQIOCXRJ-UHFFFAOYSA-N 1 1 271.339 3.163 20 30 CGEDMO C=CCC[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccco1 ZINC000353533974 527486838 /nfs/dbraw/zinc/48/68/38/527486838.db2.gz YKVNZIPDBIWYRH-ZNMIVQPWSA-N 1 1 262.397 3.359 20 30 CGEDMO C=CCC[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1ccco1 ZINC000353533974 527486843 /nfs/dbraw/zinc/48/68/43/527486843.db2.gz YKVNZIPDBIWYRH-ZNMIVQPWSA-N 1 1 262.397 3.359 20 30 CGEDMO CC(C)C[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000437424386 527914541 /nfs/dbraw/zinc/91/45/41/527914541.db2.gz JEPZHAJJCVFSEH-UHFFFAOYSA-N 1 1 268.307 3.247 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)CC(C)(C)COC ZINC000426018872 528133900 /nfs/dbraw/zinc/13/39/00/528133900.db2.gz QSGAMBLOWJBKAG-UHFFFAOYSA-N 1 1 274.408 3.443 20 30 CGEDMO CC(C)c1ncc(C[N@H+](C)Cc2cccc(C#N)c2)cn1 ZINC000440474065 528347446 /nfs/dbraw/zinc/34/74/46/528347446.db2.gz ASAHLNHSXFIBEC-UHFFFAOYSA-N 1 1 280.375 3.104 20 30 CGEDMO CC(C)c1ncc(C[N@@H+](C)Cc2cccc(C#N)c2)cn1 ZINC000440474065 528347451 /nfs/dbraw/zinc/34/74/51/528347451.db2.gz ASAHLNHSXFIBEC-UHFFFAOYSA-N 1 1 280.375 3.104 20 30 CGEDMO CCOC1CC(C[N@@H+](CCC#N)CC(CC)CC)C1 ZINC000352023814 528496465 /nfs/dbraw/zinc/49/64/65/528496465.db2.gz ASYLWYCOBAIBTM-UHFFFAOYSA-N 1 1 266.429 3.453 20 30 CGEDMO CC(C)[C@@H]1[N@H+](Cc2nc(C#N)cs2)CC12CCCC2 ZINC000449789369 528812349 /nfs/dbraw/zinc/81/23/49/528812349.db2.gz GUUYVANWFXOTDJ-AWEZNQCLSA-N 1 1 275.421 3.415 20 30 CGEDMO CC(C)[C@@H]1[N@@H+](Cc2nc(C#N)cs2)CC12CCCC2 ZINC000449789369 528812350 /nfs/dbraw/zinc/81/23/50/528812350.db2.gz GUUYVANWFXOTDJ-AWEZNQCLSA-N 1 1 275.421 3.415 20 30 CGEDMO CCSCC[C@@H](C)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000362450914 529184101 /nfs/dbraw/zinc/18/41/01/529184101.db2.gz KSBGGWAAKXEGFP-CQSZACIVSA-N 1 1 292.448 3.401 20 30 CGEDMO CC[C@@H]([NH2+]Cc1ccn(CC)n1)c1ccc(C#N)cc1 ZINC000414203129 529187011 /nfs/dbraw/zinc/18/70/11/529187011.db2.gz DNIZFWOOHRCWIJ-MRXNPFEDSA-N 1 1 268.364 3.016 20 30 CGEDMO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000191249951 535965750 /nfs/dbraw/zinc/96/57/50/535965750.db2.gz GIOYKAYSXQOPAT-OAHLLOKOSA-N 1 1 285.416 3.468 20 30 CGEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)CC1CC(F)(F)C1 ZINC000451035767 536398570 /nfs/dbraw/zinc/39/85/70/536398570.db2.gz CKLVWVCDIVSXDG-UHFFFAOYSA-N 1 1 294.345 3.052 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)CCC(=O)Nc1cccc(F)c1 ZINC000727838231 571773098 /nfs/dbraw/zinc/77/30/98/571773098.db2.gz LWCINHQYCIDBDE-UHFFFAOYSA-N 1 1 291.370 3.026 20 30 CGEDMO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2c2ccccc2)C1=O ZINC000337181620 571822943 /nfs/dbraw/zinc/82/29/43/571822943.db2.gz BADIJCYNLCAJFE-SJORKVTESA-N 1 1 284.403 3.001 20 30 CGEDMO C=CC[N@@H+](Cn1ccc(-c2ccccc2)n1)C(C)C ZINC000731659774 572421554 /nfs/dbraw/zinc/42/15/54/572421554.db2.gz ZINDSUJUPFRXQU-UHFFFAOYSA-N 1 1 255.365 3.404 20 30 CGEDMO C=CCCCCCN(C)C(=O)CCCn1cc[nH+]c1C ZINC000739801411 572424284 /nfs/dbraw/zinc/42/42/84/572424284.db2.gz ZNRSMBZFASJJIA-UHFFFAOYSA-N 1 1 277.412 3.177 20 30 CGEDMO C=CCCCCC[N@@H+](C)Cc1cnn(-c2ccccc2)n1 ZINC000739931405 572428035 /nfs/dbraw/zinc/42/80/35/572428035.db2.gz SDAVOVUGNRZTCM-UHFFFAOYSA-N 1 1 284.407 3.446 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cnn(-c2ccccc2)n1 ZINC000739931405 572428038 /nfs/dbraw/zinc/42/80/38/572428038.db2.gz SDAVOVUGNRZTCM-UHFFFAOYSA-N 1 1 284.407 3.446 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H]1C(=O)NCc1ccco1 ZINC000740874624 572463599 /nfs/dbraw/zinc/46/35/99/572463599.db2.gz WIINCROMTNWESZ-INIZCTEOSA-N 1 1 292.423 3.331 20 30 CGEDMO CCCCCCC[N@@H+](C)Cc1c(C)nn(C)c1C ZINC000740876675 572465068 /nfs/dbraw/zinc/46/50/68/572465068.db2.gz YEHUOVREHIJNIL-UHFFFAOYSA-N 1 1 251.418 3.439 20 30 CGEDMO C=C(Cl)CN1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000741054599 572479228 /nfs/dbraw/zinc/47/92/28/572479228.db2.gz QOVJMKUEYZGBMK-OAHLLOKOSA-N 1 1 278.827 3.335 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000739912281 572607999 /nfs/dbraw/zinc/60/79/99/572607999.db2.gz JHGGWYVCYSRBNE-UONOGXRCSA-N 1 1 282.428 3.330 20 30 CGEDMO C=C(Cl)COC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000735940661 572750904 /nfs/dbraw/zinc/75/09/04/572750904.db2.gz SUOQKTJXLNAXCN-HNNXBMFYSA-N 1 1 293.794 3.194 20 30 CGEDMO CC[C@H]1C[C@H](C)C[N@H+]1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000744443224 572754102 /nfs/dbraw/zinc/75/41/02/572754102.db2.gz IJQDBRFQDXDFIQ-YOEHRIQHSA-N 1 1 294.402 3.500 20 30 CGEDMO C#CC[N@@H+](CCC)Cc1ccccc1Br ZINC000746143938 572856951 /nfs/dbraw/zinc/85/69/51/572856951.db2.gz LISOGUDELWKALM-UHFFFAOYSA-N 1 1 266.182 3.294 20 30 CGEDMO C#CC[N@H+](CCC)Cc1ccccc1Br ZINC000746143938 572856954 /nfs/dbraw/zinc/85/69/54/572856954.db2.gz LISOGUDELWKALM-UHFFFAOYSA-N 1 1 266.182 3.294 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000746156292 572857929 /nfs/dbraw/zinc/85/79/29/572857929.db2.gz HRUTZHYPIHWGGB-UHFFFAOYSA-N 1 1 260.340 3.194 20 30 CGEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)C1CCCCCCC1 ZINC000748806391 572984880 /nfs/dbraw/zinc/98/48/80/572984880.db2.gz YPYZQFGDXQQAGK-KRWDZBQOSA-N 1 1 293.455 3.086 20 30 CGEDMO CC(C)(C)OC(=O)N1CC[N@@H+](CCCCC#N)C(C)(C)C1 ZINC000748823625 572986058 /nfs/dbraw/zinc/98/60/58/572986058.db2.gz CBRLIJGQPCLQGH-UHFFFAOYSA-N 1 1 295.427 3.012 20 30 CGEDMO C=C(CC)C[N@H+](CCC)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000823878010 608307640 /nfs/dbraw/zinc/30/76/40/608307640.db2.gz MBTNIDSPNSKPIG-UHFFFAOYSA-N 1 1 285.395 3.045 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)CC2CCCC2)C1 ZINC000972073011 613243102 /nfs/dbraw/zinc/24/31/02/613243102.db2.gz NOBSHFVKQQMCOR-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)C1CC=CC1 ZINC000968794187 613250705 /nfs/dbraw/zinc/25/07/05/613250705.db2.gz PBPNMAAFSBQKFN-QGZVFWFLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC1(C)C ZINC000968819781 613251510 /nfs/dbraw/zinc/25/15/10/613251510.db2.gz YMYPDUXWDXLWLQ-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)C2CCC(=C)CC2)CC1 ZINC000981884978 613252047 /nfs/dbraw/zinc/25/20/47/613252047.db2.gz KVAMCMHMKXECAH-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)C)C1 ZINC000963258500 613256666 /nfs/dbraw/zinc/25/66/66/613256666.db2.gz HIHPDSMYJRZCEH-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[NH+]1CCN(C(=O)c2ccc(CC)s2)CC1 ZINC000949155101 613261680 /nfs/dbraw/zinc/26/16/80/613261680.db2.gz FNJRVJOWZFHIOP-UHFFFAOYSA-N 1 1 292.448 3.035 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)C2CC2)C(C)(C)C1 ZINC000940655449 613266524 /nfs/dbraw/zinc/26/65/24/613266524.db2.gz NAXHWQPKRKJILG-GOEBONIOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2(C)CC=CC2)C[C@@H]1C ZINC000947693551 613270405 /nfs/dbraw/zinc/27/04/05/613270405.db2.gz OEKVABBOHFSFDD-HOTGVXAUSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)CC2CCCC2)[C@@H](C)C1 ZINC000941766808 613271192 /nfs/dbraw/zinc/27/11/92/613271192.db2.gz AFMUFPLOGLXJQA-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC2(C)C)C(C)(C)C1 ZINC000940689792 613271792 /nfs/dbraw/zinc/27/17/92/613271792.db2.gz PJHCYQWPZFBAFZ-GJZGRUSLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)C)C[C@H]2C1 ZINC000980221771 613276211 /nfs/dbraw/zinc/27/62/11/613276211.db2.gz CHFJRTQDWOWDDM-JYJNAYRXSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)/C(C)=C\C)C[C@@]2(C)C1 ZINC000982250564 613276229 /nfs/dbraw/zinc/27/62/29/613276229.db2.gz VKWVDZXXMSPMID-UOGNEQEJSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)C2CC(C)(C)C2)C(C)(C)C1 ZINC000974572053 613276514 /nfs/dbraw/zinc/27/65/14/613276514.db2.gz XHQILVOPRHPKDO-HNNXBMFYSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)C2(C)CC(=C)C2)C(C)(C)C1 ZINC000975013411 613276566 /nfs/dbraw/zinc/27/65/66/613276566.db2.gz AVUYCYPUBIFCSG-HNNXBMFYSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[C@H]2CCC)C(C)(C)C1 ZINC000975013093 613277353 /nfs/dbraw/zinc/27/73/53/613277353.db2.gz XZPUIGOMMOBBOQ-OAGGEKHMSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)CCC2CCCCC2)C1 ZINC000980307938 613288367 /nfs/dbraw/zinc/28/83/67/613288367.db2.gz ODKAQCMQEFUGJH-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC=CCCC2)C1 ZINC000971778275 613289982 /nfs/dbraw/zinc/28/99/82/613289982.db2.gz MJJQAQJDZLNNGY-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2ccc(Cl)s2)C1 ZINC000980316148 613291304 /nfs/dbraw/zinc/29/13/04/613291304.db2.gz GYTXJQYWUZVUFF-NSHDSACASA-N 1 1 298.839 3.124 20 30 CGEDMO C=C(C)C[N@H+]1CCCC2(CN(C(=O)c3ccc(C)cc3)C2)C1 ZINC000982128210 613305910 /nfs/dbraw/zinc/30/59/10/613305910.db2.gz AGIXSIZLHGGLSN-UHFFFAOYSA-N 1 1 298.430 3.109 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)c1ccccc1 ZINC000968723187 613307178 /nfs/dbraw/zinc/30/71/78/613307178.db2.gz VCABNPLGQDZUNI-KRWDZBQOSA-N 1 1 286.419 3.237 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)[C@@H]2CCC(C)=C(C)C2)CC1 ZINC000981226262 613309363 /nfs/dbraw/zinc/30/93/63/613309363.db2.gz BNDUNNSDTGHWIF-QGZVFWFLSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)/C(C)=C\C)C1 ZINC000963281003 613314060 /nfs/dbraw/zinc/31/40/60/613314060.db2.gz GKMXLJVUXQMKTL-PACMQTEUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC23CCC3)CC1 ZINC000948816903 613315025 /nfs/dbraw/zinc/31/50/25/613315025.db2.gz PKLUJAGOCFGMSB-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC000948758660 613315029 /nfs/dbraw/zinc/31/50/29/613315029.db2.gz KDDFUGIEAKNDIX-IXDOHACOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCC)C1 ZINC000963244850 613315457 /nfs/dbraw/zinc/31/54/57/613315457.db2.gz RIYVIACGDGKNHG-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)cs2)C[C@@H]1C ZINC000947272020 613328968 /nfs/dbraw/zinc/32/89/68/613328968.db2.gz REDAHQDYKYMSIP-UONOGXRCSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)oc2C)C[C@@H]1C ZINC000947032927 613329316 /nfs/dbraw/zinc/32/93/16/613329316.db2.gz WFIGJXCQLGDJFY-SWLSCSKDSA-N 1 1 290.407 3.055 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cscc2C)[C@@H](C)C1 ZINC000941905228 613331452 /nfs/dbraw/zinc/33/14/52/613331452.db2.gz XVTIVIAGDUVFAC-SWLSCSKDSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(CC)o2)C[C@@H]1C ZINC000947454579 613335965 /nfs/dbraw/zinc/33/59/65/613335965.db2.gz MJHOJEAQDJYVDL-KBPBESRZSA-N 1 1 290.407 3.001 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cscc2C)C[C@@H]1C ZINC000947149047 613337052 /nfs/dbraw/zinc/33/70/52/613337052.db2.gz XSTNBBBMMJMILC-KBPBESRZSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC(C)C)C2)C1 ZINC000961105770 613337678 /nfs/dbraw/zinc/33/76/78/613337678.db2.gz BFULEMOIYXFDTQ-IRXDYDNUSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)CC(C)(C)C)C[C@@]2(C)C1 ZINC000982209512 613340457 /nfs/dbraw/zinc/34/04/57/613340457.db2.gz PTHRZWLPYIFXOJ-HDICACEKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)c2csc(C)c2)C(C)(C)C1 ZINC000977321789 613342344 /nfs/dbraw/zinc/34/23/44/613342344.db2.gz SRBROCSQZHBJCP-AWEZNQCLSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)CC(C)(C)C2CC2)C1 ZINC000971500905 613368098 /nfs/dbraw/zinc/36/80/98/613368098.db2.gz QAOPFTIEXBLKHF-CQSZACIVSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)CC(C)(C)C2CC2)C1 ZINC000971500905 613368099 /nfs/dbraw/zinc/36/80/99/613368099.db2.gz QAOPFTIEXBLKHF-CQSZACIVSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C1CC=CC1 ZINC000968790399 613372803 /nfs/dbraw/zinc/37/28/03/613372803.db2.gz FBSZJDZMJBKKLS-OAHLLOKOSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)C1CC=CC1 ZINC000968790399 613372804 /nfs/dbraw/zinc/37/28/04/613372804.db2.gz FBSZJDZMJBKKLS-OAHLLOKOSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC1(C)C ZINC000968819058 613372972 /nfs/dbraw/zinc/37/29/72/613372972.db2.gz BNPGRPHETMDTNK-KGLIPLIRSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC1(C)C ZINC000968819058 613372973 /nfs/dbraw/zinc/37/29/73/613372973.db2.gz BNPGRPHETMDTNK-KGLIPLIRSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C(C)C)C1 ZINC000963255702 613374463 /nfs/dbraw/zinc/37/44/63/613374463.db2.gz ZTMZKBMCTKLXIO-CABCVRRESA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(C)CCC2)C(C)(C)C1 ZINC000940950208 613376004 /nfs/dbraw/zinc/37/60/04/613376004.db2.gz GPSUDPLOOQGELL-CYBMUJFWSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(C)CCC2)C(C)(C)C1 ZINC000940950208 613376005 /nfs/dbraw/zinc/37/60/05/613376005.db2.gz GPSUDPLOOQGELL-CYBMUJFWSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CC(C)(C)C2)C[C@H]1C ZINC000947271297 613376013 /nfs/dbraw/zinc/37/60/13/613376013.db2.gz GFTIQBUXAVREPI-TZMCWYRMSA-N 1 1 298.858 3.144 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CC(C)(C)C2)C[C@H]1C ZINC000947271297 613376014 /nfs/dbraw/zinc/37/60/14/613376014.db2.gz GFTIQBUXAVREPI-TZMCWYRMSA-N 1 1 298.858 3.144 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[N@H+](CC(C)C)C[C@@H]2C)CC1 ZINC000942600773 613412076 /nfs/dbraw/zinc/41/20/76/613412076.db2.gz UUUCKQSVYJGSFV-RDJZCZTQSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@H]([C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000961229393 613432568 /nfs/dbraw/zinc/43/25/68/613432568.db2.gz MBPYUMSSQDTGGV-JKSUJKDBSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[N@@H+](CC2CC(C)C2)CC1 ZINC000981887344 613473028 /nfs/dbraw/zinc/47/30/28/613473028.db2.gz BARITYMQMKFYIF-HTWSVDAQSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)c2ccc(C=C)cc2)C1 ZINC000952322558 613479728 /nfs/dbraw/zinc/47/97/28/613479728.db2.gz CLEGEZACLQZEHL-UHFFFAOYSA-N 1 1 284.403 3.052 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccc(C)o2)CC1 ZINC000948164518 613500430 /nfs/dbraw/zinc/50/04/30/613500430.db2.gz DRPNEVIJZVRLDG-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CCC[NH+]1CCN(C(=O)c2c(C)csc2Cl)CC1 ZINC000957470172 613509135 /nfs/dbraw/zinc/50/91/35/613509135.db2.gz MZTDJGQNFAGUKB-UHFFFAOYSA-N 1 1 298.839 3.044 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2=CCCCCC2)C1 ZINC000965945881 613516804 /nfs/dbraw/zinc/51/68/04/613516804.db2.gz CRCYGCQUQRJDNL-NVXWUHKLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2CCC=CCC2)C1 ZINC000968665454 613517510 /nfs/dbraw/zinc/51/75/10/613517510.db2.gz SBCQCUQJDLXSTO-NVXWUHKLSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)C2CCC(=C)CC2)[C@H](C)C1 ZINC000942600932 613519853 /nfs/dbraw/zinc/51/98/53/613519853.db2.gz WXJFTINMFRYALD-NVXWUHKLSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@]2(C)C=CCC2)C(C)(C)C1 ZINC000940959210 613522594 /nfs/dbraw/zinc/52/25/94/613522594.db2.gz LKGBSRBLVLRXRV-QAPCUYQASA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)C[C@@H]1C ZINC000947949743 613522724 /nfs/dbraw/zinc/52/27/24/613522724.db2.gz ZRGBEOCLVQBPMZ-LUKYLMHMSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2oc(C)cc2C)C[C@@H]1C ZINC000947166532 613527748 /nfs/dbraw/zinc/52/77/48/613527748.db2.gz OSVXMUFNXLHOLZ-DZGCQCFKSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)c(C)o2)C[C@H]1C ZINC000947199362 613537945 /nfs/dbraw/zinc/53/79/45/613537945.db2.gz BIYTWAOYLFDKGN-HIFRSBDPSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CC(C)(C)C)C[C@@]2(C)C1 ZINC000982212011 613550733 /nfs/dbraw/zinc/55/07/33/613550733.db2.gz HKYOCFBDLSVCDC-HDICACEKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC000968804449 613685386 /nfs/dbraw/zinc/68/53/86/613685386.db2.gz UWVFADVQLYMDIW-AWEZNQCLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccc(CC)o1 ZINC000968914130 613687002 /nfs/dbraw/zinc/68/70/02/613687002.db2.gz OSDIHTBNSGZSSL-AWEZNQCLSA-N 1 1 290.407 3.002 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C2CCCC2)C1 ZINC000963246669 613703522 /nfs/dbraw/zinc/70/35/22/613703522.db2.gz JFGHLEXRGJVRCK-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CC(C)(C)C)C1 ZINC000963251531 613706201 /nfs/dbraw/zinc/70/62/01/613706201.db2.gz QCQWNOOFEBFTOI-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C2CCC(C)(C)CC2)C[C@H]1C ZINC000948083874 613741729 /nfs/dbraw/zinc/74/17/29/613741729.db2.gz ZHHPMFGDJWSMRD-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C2CCCCCC2)C[C@H]1C ZINC000947129595 613741776 /nfs/dbraw/zinc/74/17/76/613741776.db2.gz CQGJBBBVXSPQFW-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C(C)(C)C1 ZINC000940886788 613746378 /nfs/dbraw/zinc/74/63/78/613746378.db2.gz SIUDDXOCTPSDEU-RBSFLKMASA-N 1 1 292.467 3.071 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)c2cc(Cl)cs2)[C@@H](C)C1 ZINC000943290672 613750379 /nfs/dbraw/zinc/75/03/79/613750379.db2.gz YRLQOIVSPDTXKI-CMPLNLGQSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C=C2CCCCC2)C[C@H]1C ZINC000947080603 613781080 /nfs/dbraw/zinc/78/10/80/613781080.db2.gz MNBDZCGTNXVUJG-ZBFHGGJFSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C)cc2C)C[C@@H]1C ZINC000947993444 613789930 /nfs/dbraw/zinc/78/99/30/613789930.db2.gz BOVUHZPCZFSFLJ-HOTGVXAUSA-N 1 1 286.419 3.072 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)c2coc3ccccc23)[C@H](C)C1 ZINC000945942697 613798697 /nfs/dbraw/zinc/79/86/97/613798697.db2.gz KIUOYXVVVZSCFI-CJNGLKHVSA-N 1 1 298.386 3.059 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)C2CCC(C)(C)CC2)C(C)(C)C1 ZINC000977642794 613806102 /nfs/dbraw/zinc/80/61/02/613806102.db2.gz DDIMZCOMLWLBPQ-OAHLLOKOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)c2cscc2Cl)C(C)(C)C1 ZINC000974687412 613830151 /nfs/dbraw/zinc/83/01/51/613830151.db2.gz QHBBDGIBMYUCTA-LBPRGKRZSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)C(C)C)CC[C@@H]2C1 ZINC000946604843 613832471 /nfs/dbraw/zinc/83/24/71/613832471.db2.gz AULDPIVHFBGDDB-IYBDPMFKSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000899508350 620705088 /nfs/dbraw/zinc/70/50/88/620705088.db2.gz CHKNRWRSVPMHLR-KRWDZBQOSA-N 1 1 289.423 3.335 20 30 CGEDMO CCCCCCCC[C@@H]([NH3+])c1nc(-c2ncccn2)no1 ZINC000899997758 620743697 /nfs/dbraw/zinc/74/36/97/620743697.db2.gz GISQHNDVRDITQU-GFCCVEGCSA-N 1 1 289.383 3.277 20 30 CGEDMO C#CC[C@@H](Cc1ccccc1)Nc1[nH+]cnc2[nH]ccc21 ZINC000804810482 617849541 /nfs/dbraw/zinc/84/95/41/617849541.db2.gz UUARNMOQDYNSPX-AWEZNQCLSA-N 1 1 276.343 3.004 20 30 CGEDMO C#CCOc1ccc(C[N@@H+](C)Cc2ccc(C)o2)cc1 ZINC000160863663 618164916 /nfs/dbraw/zinc/16/49/16/618164916.db2.gz OAUMOQSKENOPPG-UHFFFAOYSA-N 1 1 269.344 3.232 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000178238181 618244999 /nfs/dbraw/zinc/24/49/99/618244999.db2.gz RKLLUFOOKKGZHG-UHFFFAOYSA-N 1 1 264.800 3.340 20 30 CGEDMO COCC[N@@H+](Cc1csc(C#N)c1)C1CCCC1 ZINC000891678765 618245971 /nfs/dbraw/zinc/24/59/71/618245971.db2.gz LPHARNMNPLFVBI-UHFFFAOYSA-N 1 1 264.394 3.011 20 30 CGEDMO CN1CC[N@H+](Cc2csc(C#N)c2)Cc2ccccc21 ZINC000891923302 618387093 /nfs/dbraw/zinc/38/70/93/618387093.db2.gz DSORVAGVIOVLOQ-UHFFFAOYSA-N 1 1 283.400 3.072 20 30 CGEDMO CN1CC[N@@H+](Cc2csc(C#N)c2)Cc2ccccc21 ZINC000891923302 618387102 /nfs/dbraw/zinc/38/71/02/618387102.db2.gz DSORVAGVIOVLOQ-UHFFFAOYSA-N 1 1 283.400 3.072 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)C[C@@H]1C[C@@]1(C)Br ZINC000891937564 618395136 /nfs/dbraw/zinc/39/51/36/618395136.db2.gz NFZBOAIZOMHGGM-QWHCGFSZSA-N 1 1 287.245 3.422 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)C[C@@H]1C[C@@]1(C)Br ZINC000891937564 618395146 /nfs/dbraw/zinc/39/51/46/618395146.db2.gz NFZBOAIZOMHGGM-QWHCGFSZSA-N 1 1 287.245 3.422 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C=C2CCCCC2)C1 ZINC001006865506 618431731 /nfs/dbraw/zinc/43/17/31/618431731.db2.gz SKGJZYSNLBTAKK-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CC[C@@H](C)NC(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC000934074395 618444038 /nfs/dbraw/zinc/44/40/38/618444038.db2.gz SZVIHVPCNSXENZ-CYBMUJFWSA-N 1 1 288.395 3.158 20 30 CGEDMO C[N@@H+](Cc1csc(C#N)c1)[C@H](CCO)c1ccccc1 ZINC000892051485 618504755 /nfs/dbraw/zinc/50/47/55/618504755.db2.gz BZZWEAKYZYTMLX-MRXNPFEDSA-N 1 1 286.400 3.175 20 30 CGEDMO CSCC[C@@H](C)[N@@H+](C)Cc1csc(C#N)c1 ZINC000892083491 618522982 /nfs/dbraw/zinc/52/29/82/618522982.db2.gz JOUNPRAQIZWRHE-SNVBAGLBSA-N 1 1 254.424 3.193 20 30 CGEDMO CN(C)c1cccc(C[N@@H+](C)Cc2csc(C#N)c2)c1 ZINC000892193277 618584474 /nfs/dbraw/zinc/58/44/74/618584474.db2.gz RAFOUVJHVXVMIS-UHFFFAOYSA-N 1 1 285.416 3.318 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1CC(=O)Nc1cccc(Cl)c1C ZINC000934469920 618626973 /nfs/dbraw/zinc/62/69/73/618626973.db2.gz JWUUTWFLOIKGRC-GFCCVEGCSA-N 1 1 278.783 3.237 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1CC(=O)Nc1cccc(Cl)c1C ZINC000934469920 618626975 /nfs/dbraw/zinc/62/69/75/618626975.db2.gz JWUUTWFLOIKGRC-GFCCVEGCSA-N 1 1 278.783 3.237 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1nc(-c2ccc(F)cc2)no1 ZINC000934471771 618627791 /nfs/dbraw/zinc/62/77/91/618627791.db2.gz NUMWPDKVHLARPS-CYBMUJFWSA-N 1 1 273.311 3.026 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1nc(-c2ccc(F)cc2)no1 ZINC000934471771 618627794 /nfs/dbraw/zinc/62/77/94/618627794.db2.gz NUMWPDKVHLARPS-CYBMUJFWSA-N 1 1 273.311 3.026 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1ccccc1CC ZINC000934472440 618628177 /nfs/dbraw/zinc/62/81/77/618628177.db2.gz QSOIFHDQSWGQIT-ZFWWWQNUSA-N 1 1 272.392 3.226 20 30 CGEDMO CC([NH2+]Nc1cccc([N+](=O)[O-])c1C)=C1CC1(F)F ZINC000841627047 618685144 /nfs/dbraw/zinc/68/51/44/618685144.db2.gz LQCVVYSCSZIAAO-VIFPVBQESA-N 1 1 269.251 3.346 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000077483257 618729601 /nfs/dbraw/zinc/72/96/01/618729601.db2.gz NMGGYJCRFKCZPH-LBPRGKRZSA-N 1 1 265.740 3.305 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000077483257 618729603 /nfs/dbraw/zinc/72/96/03/618729603.db2.gz NMGGYJCRFKCZPH-LBPRGKRZSA-N 1 1 265.740 3.305 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)C2CCCC2)cc1 ZINC000179797458 618801551 /nfs/dbraw/zinc/80/15/51/618801551.db2.gz ABLYFUMLGFKPGL-ZDUSSCGKSA-N 1 1 258.365 3.352 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001007398213 618888235 /nfs/dbraw/zinc/88/82/35/618888235.db2.gz YXPFCYWDVXLWPG-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C#C[C@](C)(CC)[NH2+]Cc1ncc(-c2cccs2)o1 ZINC000852099027 618946523 /nfs/dbraw/zinc/94/65/23/618946523.db2.gz BLALHXXFYDLCPE-CQSZACIVSA-N 1 1 260.362 3.295 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cccc(OCC)c1OCCC ZINC000775184483 619006920 /nfs/dbraw/zinc/00/69/20/619006920.db2.gz WUCSAGTUBWKCIL-CQSZACIVSA-N 1 1 275.392 3.328 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1cccc(OCC)c1OCCC ZINC000775184483 619006921 /nfs/dbraw/zinc/00/69/21/619006921.db2.gz WUCSAGTUBWKCIL-CQSZACIVSA-N 1 1 275.392 3.328 20 30 CGEDMO C=C1CC(C)(c2noc(C[N@H+](C)CCc3ccccc3)n2)C1 ZINC000924124689 619074897 /nfs/dbraw/zinc/07/48/97/619074897.db2.gz HDRMQJKDLHWZGY-UHFFFAOYSA-N 1 1 297.402 3.352 20 30 CGEDMO C=C1CC(C)(c2noc(C[N@@H+](C)CCc3ccccc3)n2)C1 ZINC000924124689 619074898 /nfs/dbraw/zinc/07/48/98/619074898.db2.gz HDRMQJKDLHWZGY-UHFFFAOYSA-N 1 1 297.402 3.352 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)CC2CCCC2)C1 ZINC001006640351 619075200 /nfs/dbraw/zinc/07/52/00/619075200.db2.gz UQVUOZYPPBERFM-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO CC[N@@H+](Cc1cc(Cl)cc(C#N)c1)[C@@H]1CCCOC1 ZINC000930851996 619083656 /nfs/dbraw/zinc/08/36/56/619083656.db2.gz FBZUATVYTVRCPJ-OAHLLOKOSA-N 1 1 278.783 3.213 20 30 CGEDMO C[C@H]1C[N@@H+](CCCCC2(C#N)CCC2)Cc2c[nH]nc21 ZINC000931464954 619172388 /nfs/dbraw/zinc/17/23/88/619172388.db2.gz CMEBCYMWDWBHKI-ZDUSSCGKSA-N 1 1 272.396 3.193 20 30 CGEDMO C[C@@H](c1cccnc1)[N@H+](C)Cc1csc(C#N)c1 ZINC000893539165 619209918 /nfs/dbraw/zinc/20/99/18/619209918.db2.gz DLHNIPAVISVASE-NSHDSACASA-N 1 1 257.362 3.208 20 30 CGEDMO C[C@@H](c1cccnc1)[N@@H+](C)Cc1csc(C#N)c1 ZINC000893539165 619209922 /nfs/dbraw/zinc/20/99/22/619209922.db2.gz DLHNIPAVISVASE-NSHDSACASA-N 1 1 257.362 3.208 20 30 CGEDMO C[C@@H]([NH2+]Cc1cccnc1Cl)c1ccc(C#N)cc1 ZINC000105416901 619236672 /nfs/dbraw/zinc/23/66/72/619236672.db2.gz UHESZFVQTJLDIH-LLVKDONJSA-N 1 1 271.751 3.457 20 30 CGEDMO C=C(Br)C[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000105453443 619236945 /nfs/dbraw/zinc/23/69/45/619236945.db2.gz CDYOXZUXWAMYJS-UHFFFAOYSA-N 1 1 278.552 3.477 20 30 CGEDMO CCC[N@@H+](Cc1ocnc1C)Cc1ccc(C#N)cc1 ZINC000893952967 619340033 /nfs/dbraw/zinc/34/00/33/619340033.db2.gz XZXUGSPFOYZFQH-UHFFFAOYSA-N 1 1 269.348 3.267 20 30 CGEDMO COCc1c(C)cc(C)c(C[N@H+](C)C[C@@H](C)C#N)c1C ZINC000893995883 619346100 /nfs/dbraw/zinc/34/61/00/619346100.db2.gz VGJYQUFAUVDYHA-LBPRGKRZSA-N 1 1 274.408 3.350 20 30 CGEDMO COCc1c(C)cc(C)c(C[N@@H+](C)C[C@@H](C)C#N)c1C ZINC000893995883 619346102 /nfs/dbraw/zinc/34/61/02/619346102.db2.gz VGJYQUFAUVDYHA-LBPRGKRZSA-N 1 1 274.408 3.350 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)CCCN(C)C(=O)OC(C)(C)C ZINC000877591082 619412336 /nfs/dbraw/zinc/41/23/36/619412336.db2.gz ONUJGJIHDKRUKL-CQSZACIVSA-N 1 1 297.443 3.115 20 30 CGEDMO CCCCCCCCCC(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000104188508 619416418 /nfs/dbraw/zinc/41/64/18/619416418.db2.gz WIQDMCNJNMTHRK-OAHLLOKOSA-N 1 1 268.445 3.195 20 30 CGEDMO C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000877813374 619417534 /nfs/dbraw/zinc/41/75/34/619417534.db2.gz YJMAZQCBFMVFSD-LLVKDONJSA-N 1 1 274.311 3.394 20 30 CGEDMO CCc1onc(C)c1C[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000894271924 619458400 /nfs/dbraw/zinc/45/84/00/619458400.db2.gz WCJHPLLMYTVONJ-UHFFFAOYSA-N 1 1 289.766 3.360 20 30 CGEDMO C=CC[C@@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000894923756 619684228 /nfs/dbraw/zinc/68/42/28/619684228.db2.gz LTQKTSDYUWEPEC-QBUWPKIASA-N 1 1 284.447 3.389 20 30 CGEDMO C#CC[N@H+](CCOc1ccccc1)Cc1ccc(F)cc1 ZINC000060168312 619716911 /nfs/dbraw/zinc/71/69/11/619716911.db2.gz KXUXGCNJADZFJZ-UHFFFAOYSA-N 1 1 283.346 3.340 20 30 CGEDMO N#CC1(C[NH2+]Cc2cccc3c2NCCC3)CCCC1 ZINC000895133233 619746521 /nfs/dbraw/zinc/74/65/21/619746521.db2.gz GGEBMFKPFDGSMC-UHFFFAOYSA-N 1 1 269.392 3.218 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cnc(CC(F)(F)F)s2)C1 ZINC000895563262 619850583 /nfs/dbraw/zinc/85/05/83/619850583.db2.gz YIJGJOGYXBVNOF-JTQLQIEISA-N 1 1 288.338 3.093 20 30 CGEDMO N#CC1(c2ccc(C[N@@H+]3CC[C@@H](CF)C3)cc2)CC1 ZINC000895566741 619853208 /nfs/dbraw/zinc/85/32/08/619853208.db2.gz BYFCOMIUBUVYBJ-AWEZNQCLSA-N 1 1 258.340 3.033 20 30 CGEDMO C=C(C)C[C@H]([NH2+][C@H](C)CCC(F)(F)F)C(=O)OCC ZINC000895597737 619858479 /nfs/dbraw/zinc/85/84/79/619858479.db2.gz KGECFSJHPBEFPK-MNOVXSKESA-N 1 1 281.318 3.205 20 30 CGEDMO N#Cc1cc(C[N@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)cs1 ZINC000896226986 619970001 /nfs/dbraw/zinc/97/00/01/619970001.db2.gz JUYPWGKGGFQNFN-DOTOQJQBSA-N 1 1 280.396 3.393 20 30 CGEDMO Cc1cc(C[N@@H+]2CCC[C@H](C#N)C2)cc2cccnc12 ZINC000896506315 620019304 /nfs/dbraw/zinc/01/93/04/620019304.db2.gz RSNYWPQYOXVZOX-CQSZACIVSA-N 1 1 265.360 3.279 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@H](C#N)C2)cc2cccnc12 ZINC000896506315 620019310 /nfs/dbraw/zinc/01/93/10/620019310.db2.gz RSNYWPQYOXVZOX-CQSZACIVSA-N 1 1 265.360 3.279 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CCC([N@H+](C)C(C)C)CC1 ZINC000985446566 620191003 /nfs/dbraw/zinc/19/10/03/620191003.db2.gz IDUOPLGCNWEPCT-UHFFFAOYSA-N 1 1 286.847 3.096 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@H]2CCC)CC1 ZINC000985507462 620203256 /nfs/dbraw/zinc/20/32/56/620203256.db2.gz XVIGLDOQHWFASW-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCOC[C@@H]1C[C@@H](O)c1ccco1 ZINC000305777633 620205373 /nfs/dbraw/zinc/20/53/73/620205373.db2.gz PXDFPZLKOZTBHV-HRCADAONSA-N 1 1 293.407 3.149 20 30 CGEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)C2(CC)CCC2)CC1 ZINC000985582222 620215324 /nfs/dbraw/zinc/21/53/24/620215324.db2.gz UYGNIRGEFAKJCJ-UHFFFAOYSA-N 1 1 298.858 3.242 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)[C@H]2C[C@@]2(CC)C(C)C)CC1 ZINC000985724797 620232170 /nfs/dbraw/zinc/23/21/70/620232170.db2.gz LHPPOABYOKNZES-AEFFLSMTSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCCCC2(C)C)CC1 ZINC000985807134 620240832 /nfs/dbraw/zinc/24/08/32/620240832.db2.gz ARIZIVYKRAADIZ-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)[C@H]2CCCC(C)(C)C2)CC1 ZINC000989758648 620523670 /nfs/dbraw/zinc/52/36/70/620523670.db2.gz QYWUIFHILCXQHN-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)C[C@H]2CCCC[C@@H]2C)CC1 ZINC000989773151 620524937 /nfs/dbraw/zinc/52/49/37/620524937.db2.gz NATJUISEPKLPLM-DLBZAZTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)c3ccccc3)CCC[C@@H]12 ZINC000989916309 620531461 /nfs/dbraw/zinc/53/14/61/620531461.db2.gz SFAQBDGPHNZISY-IEBWSBKVSA-N 1 1 298.430 3.380 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2sccc2Cl)C1 ZINC001014524258 620540218 /nfs/dbraw/zinc/54/02/18/620540218.db2.gz RLAMPQXDJVKUNO-NSHDSACASA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)C(C)=C3CCC3)CCC[C@@H]12 ZINC000990616211 620558089 /nfs/dbraw/zinc/55/80/89/620558089.db2.gz RLAMRJHDDBWZAN-AEFFLSMTSA-N 1 1 288.435 3.176 20 30 CGEDMO CS[C@@H]1CCCC(=[NH+]n2cc(Br)cn2)C1 ZINC000901204690 620841907 /nfs/dbraw/zinc/84/19/07/620841907.db2.gz APZZQGDDBITUCH-SNVBAGLBSA-N 1 1 288.214 3.155 20 30 CGEDMO C[C@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1cccc([N+](=O)[O-])c1 ZINC000902766555 621432773 /nfs/dbraw/zinc/43/27/73/621432773.db2.gz NBQGBQCXERNWBG-RYUDHWBXSA-N 1 1 296.330 3.273 20 30 CGEDMO COc1cc(C)ccc1C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902836238 621467749 /nfs/dbraw/zinc/46/77/49/621467749.db2.gz FFXAAQHRJJYXDB-ZDUSSCGKSA-N 1 1 281.359 3.121 20 30 CGEDMO C=CCC[C@@H]([NH2+][C@H](C)c1cn(C)nn1)c1ccccc1 ZINC000902881215 621482972 /nfs/dbraw/zinc/48/29/72/621482972.db2.gz GSUWLALQQNCASB-UKRRQHHQSA-N 1 1 270.380 3.173 20 30 CGEDMO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccc(C#N)cc1 ZINC000903082361 621562826 /nfs/dbraw/zinc/56/28/26/621562826.db2.gz ZMJOUMAHLOOONO-ZEIDCXACSA-N 1 1 295.430 3.367 20 30 CGEDMO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc(C#N)cc1 ZINC000903082361 621562834 /nfs/dbraw/zinc/56/28/34/621562834.db2.gz ZMJOUMAHLOOONO-ZEIDCXACSA-N 1 1 295.430 3.367 20 30 CGEDMO C[C@H]([NH2+]CC(C)(C)C#N)c1ccc2ccccc2n1 ZINC000903100300 621572509 /nfs/dbraw/zinc/57/25/09/621572509.db2.gz MYHNPNWASSYQAH-LBPRGKRZSA-N 1 1 253.349 3.435 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1cnc2ccsc2c1 ZINC000903106011 621579764 /nfs/dbraw/zinc/57/97/64/621579764.db2.gz KVCNNXVAEYTDMK-SNVBAGLBSA-N 1 1 257.362 3.251 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CC1)c1cnc2ccsc2c1 ZINC000903106010 621580692 /nfs/dbraw/zinc/58/06/92/621580692.db2.gz KVCNNXVAEYTDMK-JTQLQIEISA-N 1 1 257.362 3.251 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1cc2c(ccnc2Cl)o1 ZINC000903109222 621582566 /nfs/dbraw/zinc/58/25/66/621582566.db2.gz LEVGPUCPFBRDIB-SECBINFHSA-N 1 1 275.739 3.436 20 30 CGEDMO COc1ccc2c(c1F)CC[C@@H]2[NH2+]CC1(C#N)CCCC1 ZINC000903109316 621583063 /nfs/dbraw/zinc/58/30/63/621583063.db2.gz NEXWQBVSUUIUJI-AWEZNQCLSA-N 1 1 288.366 3.495 20 30 CGEDMO CSc1ccc(C[NH2+][C@H]2CCCc3c[nH]nc32)cc1C#N ZINC000903093345 621584747 /nfs/dbraw/zinc/58/47/47/621584747.db2.gz ITCVKVSIAXESAW-AWEZNQCLSA-N 1 1 298.415 3.170 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903122458 621588815 /nfs/dbraw/zinc/58/88/15/621588815.db2.gz ZATURIUJYKWGHH-VIFPVBQESA-N 1 1 270.716 3.007 20 30 CGEDMO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H](c1ncccn1)C1CC1)CC2 ZINC000903326600 621700284 /nfs/dbraw/zinc/70/02/84/621700284.db2.gz YZNSFUUKAHRKIC-IRXDYDNUSA-N 1 1 290.370 3.076 20 30 CGEDMO N#CC1(CCCC[N@@H+]2CCNC[C@H]2c2ccccc2)CCC1 ZINC000903757546 621803836 /nfs/dbraw/zinc/80/38/36/621803836.db2.gz DGXZGVSBHCOXNA-SFHVURJKSA-N 1 1 297.446 3.497 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCNC[C@H]2c2ccccc2)CCC1 ZINC000903757546 621803838 /nfs/dbraw/zinc/80/38/38/621803838.db2.gz DGXZGVSBHCOXNA-SFHVURJKSA-N 1 1 297.446 3.497 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCCC[C@@H]2C2(CN)CCC2)CC1 ZINC000903813046 621814666 /nfs/dbraw/zinc/81/46/66/621814666.db2.gz XZVJECJZQYCIPU-OFLPRAFFSA-N 1 1 289.467 3.300 20 30 CGEDMO N#CC1CCC(C[N@@H+]2CCCC[C@@H]2C2(CN)CCC2)CC1 ZINC000903813046 621814667 /nfs/dbraw/zinc/81/46/67/621814667.db2.gz XZVJECJZQYCIPU-OFLPRAFFSA-N 1 1 289.467 3.300 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(Cc2ccc(C)cc2)no1 ZINC000904537185 621931848 /nfs/dbraw/zinc/93/18/48/621931848.db2.gz DHQVQUOYTAGMDO-CQSZACIVSA-N 1 1 271.364 3.325 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccccc2OCC)no1 ZINC000904538920 621932542 /nfs/dbraw/zinc/93/25/42/621932542.db2.gz QTIZTGTYQUPHRS-CYBMUJFWSA-N 1 1 287.363 3.491 20 30 CGEDMO CCCCCCCC[C@H]([NH3+])c1nc(-c2cocn2)no1 ZINC000904688474 621953692 /nfs/dbraw/zinc/95/36/92/621953692.db2.gz BNAPASNQMBULPD-NSHDSACASA-N 1 1 278.356 3.475 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2c(C)nsc2C)no1 ZINC000904725064 621958718 /nfs/dbraw/zinc/95/87/18/621958718.db2.gz VSHUBFQUZMLOIY-SNVBAGLBSA-N 1 1 278.381 3.166 20 30 CGEDMO N#CC1(C[NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)CCC1 ZINC000905290188 622056694 /nfs/dbraw/zinc/05/66/94/622056694.db2.gz SXCBIDYHGIPKIK-CYBMUJFWSA-N 1 1 299.201 3.310 20 30 CGEDMO C=CC[N@H+](Cc1cccc(OCCOC)c1)C(C)C ZINC000768546141 625541884 /nfs/dbraw/zinc/54/18/84/625541884.db2.gz ABLYGLHXLPOFBZ-UHFFFAOYSA-N 1 1 263.381 3.108 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)OCCCCC1(C#N)CCC1 ZINC000909245591 622406339 /nfs/dbraw/zinc/40/63/39/622406339.db2.gz ICRHKWRDARRLNB-GASCZTMLSA-N 1 1 292.423 3.267 20 30 CGEDMO C[N@@H+](CCCOc1ccc(C#N)cc1)CC(C)(C)C ZINC000045073541 622842239 /nfs/dbraw/zinc/84/22/39/622842239.db2.gz ZUGZABQCGORMQP-UHFFFAOYSA-N 1 1 260.381 3.305 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNCc2cccc(C#N)c2)C1 ZINC000060978683 623085324 /nfs/dbraw/zinc/08/53/24/623085324.db2.gz LZNZMVIWNCRFLO-IYBDPMFKSA-N 1 1 285.435 3.016 20 30 CGEDMO C#CC[N@H+](CCCCCCCO)Cc1ccc(F)cc1 ZINC000173581272 623331912 /nfs/dbraw/zinc/33/19/12/623331912.db2.gz PCRMQGPPKBJLPU-UHFFFAOYSA-N 1 1 277.383 3.204 20 30 CGEDMO C=C(Br)C[N@@H+](C)[C@H](C)CCSCC ZINC000126813474 623469750 /nfs/dbraw/zinc/46/97/50/623469750.db2.gz MKRKCBWFNYWMCX-SNVBAGLBSA-N 1 1 266.248 3.359 20 30 CGEDMO C=C(Br)C[N@H+](C)[C@H](C)CCSCC ZINC000126813474 623469758 /nfs/dbraw/zinc/46/97/58/623469758.db2.gz MKRKCBWFNYWMCX-SNVBAGLBSA-N 1 1 266.248 3.359 20 30 CGEDMO CC[C@H]1c2ccccc2CC[N@@H+]1Cc1cncc(C#N)c1 ZINC000929650922 623496136 /nfs/dbraw/zinc/49/61/36/623496136.db2.gz QTFQMHIMNPZALN-SFHVURJKSA-N 1 1 277.371 3.463 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3cc(C)ccc3C)CCC[C@@H]12 ZINC000992453055 623568558 /nfs/dbraw/zinc/56/85/58/623568558.db2.gz DPMCMMJFXGBRDG-MJGOQNOKSA-N 1 1 298.430 3.216 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3cc(C)cc(C)c3)CCC[C@H]12 ZINC000992458635 623573450 /nfs/dbraw/zinc/57/34/50/623573450.db2.gz KSQOEZDYOPGEGJ-PKOBYXMFSA-N 1 1 298.430 3.216 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3ccc(CC)cc3)CCC[C@@H]12 ZINC000992484338 623595726 /nfs/dbraw/zinc/59/57/26/623595726.db2.gz DYKQVFWWJACWQR-IEBWSBKVSA-N 1 1 298.430 3.162 20 30 CGEDMO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCCN(C)C)cc1 ZINC000151962238 623596818 /nfs/dbraw/zinc/59/68/18/623596818.db2.gz RBXVVVSXUMERNY-CQSZACIVSA-N 1 1 296.842 3.420 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](C)CCOCC1CC1 ZINC000929825317 623791191 /nfs/dbraw/zinc/79/11/91/623791191.db2.gz QFJPCFROSJJCSG-UHFFFAOYSA-N 1 1 272.392 3.034 20 30 CGEDMO C=CCn1c2ccccc2n(C[NH+]2CCCC2)c1=S ZINC000914564922 623829701 /nfs/dbraw/zinc/82/97/01/623829701.db2.gz LXVVRUWBTCYTFT-UHFFFAOYSA-N 1 1 273.405 3.412 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000914820610 623864334 /nfs/dbraw/zinc/86/43/34/623864334.db2.gz JPGQSUWRKUPDOO-ZDUSSCGKSA-N 1 1 251.757 3.369 20 30 CGEDMO COc1cccc(O)c1/C=N\C[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000915271154 623935486 /nfs/dbraw/zinc/93/54/86/623935486.db2.gz LURRVXRAFZSKKK-NGVROJSHSA-N 1 1 290.407 3.083 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)cs2)[C@@H]1C ZINC000993307616 624005459 /nfs/dbraw/zinc/00/54/59/624005459.db2.gz HACJVWSAZSAYBT-UONOGXRCSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccsc2C)[C@H]1C ZINC000993329611 624028094 /nfs/dbraw/zinc/02/80/94/624028094.db2.gz QUDZGHXOPYDMHD-IUODEOHRSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)c2sccc2Cl)[C@H]1C ZINC000993354973 624035295 /nfs/dbraw/zinc/03/52/95/624035295.db2.gz GEQVFIWVUMYXCL-ZYHUDNBSSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2Cl)[C@H]1C ZINC000993354973 624035299 /nfs/dbraw/zinc/03/52/99/624035299.db2.gz GEQVFIWVUMYXCL-ZYHUDNBSSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C2CCC2)[C@H]1C ZINC000993634655 624055526 /nfs/dbraw/zinc/05/55/26/624055526.db2.gz MLDBZCHMRPLEML-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2occc2Cl)[C@@H]1C ZINC000993774470 624061772 /nfs/dbraw/zinc/06/17/72/624061772.db2.gz MIIUUIBWNXYQEH-AAEUAGOBSA-N 1 1 296.798 3.092 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C2(C)CC=CC2)[C@H]1C ZINC000993781990 624062978 /nfs/dbraw/zinc/06/29/78/624062978.db2.gz YKDLAHMSUGGZCL-HZPDHXFCSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2Cl)[C@H]1C ZINC000994275201 624196977 /nfs/dbraw/zinc/19/69/77/624196977.db2.gz HWKSOHHVJWCBDS-DOMZBBRYSA-N 1 1 292.810 3.109 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)s2)[C@H]1C ZINC000994354098 624205445 /nfs/dbraw/zinc/20/54/45/624205445.db2.gz UXFCFRCIBRMLDU-GHMZBOCLSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)s2)[C@H]1C ZINC000994354098 624205446 /nfs/dbraw/zinc/20/54/46/624205446.db2.gz UXFCFRCIBRMLDU-GHMZBOCLSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+](CC(=O)N1CCC[C@H]2CCCC[C@@H]21)C(C)C ZINC000917071723 624233870 /nfs/dbraw/zinc/23/38/70/624233870.db2.gz YKZZOMZGLVBIRQ-CVEARBPZSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCN(c2ccc(C)cc2)CC1 ZINC000917088835 624237688 /nfs/dbraw/zinc/23/76/88/624237688.db2.gz PBSRHPJGOSPMLV-UHFFFAOYSA-N 1 1 264.800 3.260 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCN(c2ccc(C)cc2)CC1 ZINC000917088835 624237692 /nfs/dbraw/zinc/23/76/92/624237692.db2.gz PBSRHPJGOSPMLV-UHFFFAOYSA-N 1 1 264.800 3.260 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1cc(C)cc(C)c1)C(C)C ZINC000917166995 624248435 /nfs/dbraw/zinc/24/84/35/624248435.db2.gz NCHGDUDEEAHTAT-UHFFFAOYSA-N 1 1 260.381 3.138 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1cc(C)cc(C)c1)C(C)C ZINC000917166995 624248439 /nfs/dbraw/zinc/24/84/39/624248439.db2.gz NCHGDUDEEAHTAT-UHFFFAOYSA-N 1 1 260.381 3.138 20 30 CGEDMO CC[N@@H+](CCc1nccs1)CC1CCC(C#N)CC1 ZINC000930086839 624413834 /nfs/dbraw/zinc/41/38/34/624413834.db2.gz JUHYEQRVINTDFQ-UHFFFAOYSA-N 1 1 277.437 3.337 20 30 CGEDMO C[N@H+]1CCC[C@H]1CSc1cccc(C#N)c1Cl ZINC000920289756 624472768 /nfs/dbraw/zinc/47/27/68/624472768.db2.gz WMOLDSQMCBJGGD-NSHDSACASA-N 1 1 266.797 3.398 20 30 CGEDMO C#CCC[N@H+](Cc1ccc(OC)cc1)[C@H](C)C1CC1 ZINC000920415749 624490787 /nfs/dbraw/zinc/49/07/87/624490787.db2.gz ILLJYQRQKXLXKR-CQSZACIVSA-N 1 1 257.377 3.319 20 30 CGEDMO CC(=NN1CC[NH+](C)CC1)[C@H]1C[C@H]1c1ccccc1Cl ZINC000920357531 624480447 /nfs/dbraw/zinc/48/04/47/624480447.db2.gz XMXQXUIPXYZHPU-CABCVRRESA-N 1 1 291.826 3.067 20 30 CGEDMO Cc1csc([C@H](C)[NH2+]Cc2ccc(C#N)cc2)n1 ZINC000069168316 624801683 /nfs/dbraw/zinc/80/16/83/624801683.db2.gz ZWVKELYALIBLRR-NSHDSACASA-N 1 1 257.362 3.174 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(SC(=O)N(C)C)cc1 ZINC000181303271 624844131 /nfs/dbraw/zinc/84/41/31/624844131.db2.gz HJFWFRQTIFLVSX-UHFFFAOYSA-N 1 1 278.421 3.468 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000181316609 624845169 /nfs/dbraw/zinc/84/51/69/624845169.db2.gz BIYJEUKXKFILDQ-CQSZACIVSA-N 1 1 282.428 3.141 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)C2CC=CC2)CC1 ZINC000997977287 625778756 /nfs/dbraw/zinc/77/87/56/625778756.db2.gz PDPUWASRFJZCDG-QGZVFWFLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)c2cccs2)CC1 ZINC001000403398 625869985 /nfs/dbraw/zinc/86/99/85/625869985.db2.gz RFMNMJGTVDWOKN-UHFFFAOYSA-N 1 1 290.432 3.076 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)c2ccc(C(C)C)cc2)CC1 ZINC001001392720 625895678 /nfs/dbraw/zinc/89/56/78/625895678.db2.gz NBAKTIRWDFHYBG-UHFFFAOYSA-N 1 1 298.430 3.358 20 30 CGEDMO C[C@@H](NCc1csc(C#N)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000922006172 625959383 /nfs/dbraw/zinc/95/93/83/625959383.db2.gz CXGQWYLCTPMZMX-DYVFJYSZSA-N 1 1 299.443 3.401 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)C[C@H]2CCC[C@H]2C)CC1 ZINC001002892327 625968791 /nfs/dbraw/zinc/96/87/91/625968791.db2.gz XXHKYGRCYFBHGP-TZMCWYRMSA-N 1 1 298.858 3.146 20 30 CGEDMO Cc1nc([C@H]2CCCC[N@@H+]2CC2CCC(C#N)CC2)no1 ZINC000929306903 626016711 /nfs/dbraw/zinc/01/67/11/626016711.db2.gz HEGOHDCYGAANKS-YMAMQOFZSA-N 1 1 288.395 3.235 20 30 CGEDMO Cc1nc([C@H]2CCCC[N@H+]2CC2CCC(C#N)CC2)no1 ZINC000929306903 626016714 /nfs/dbraw/zinc/01/67/14/626016714.db2.gz HEGOHDCYGAANKS-YMAMQOFZSA-N 1 1 288.395 3.235 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC(C)(C)C)CC1 ZINC001004340750 626039807 /nfs/dbraw/zinc/03/98/07/626039807.db2.gz UBPGMUOUWRMTGF-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO COc1ccc2c(c1)C[N@H+](CC1CCC(C#N)CC1)CC2 ZINC000929342897 626101753 /nfs/dbraw/zinc/10/17/53/626101753.db2.gz LRPHXCLWEXZSEW-UHFFFAOYSA-N 1 1 284.403 3.383 20 30 CGEDMO C=CCCC[N@H+](C)CC1(CNC(=O)OC(C)(C)C)CC1 ZINC000838842386 626266142 /nfs/dbraw/zinc/26/61/42/626266142.db2.gz UJGRHDWUVAINIA-UHFFFAOYSA-N 1 1 282.428 3.189 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC1N=Nc1ccccn1 ZINC000751520398 626393808 /nfs/dbraw/zinc/39/38/08/626393808.db2.gz DMMHIEKVIBBVCV-CQSZACIVSA-N 1 1 280.375 3.001 20 30 CGEDMO CC[C@@H]1CCCC1=[NH+]n1cc(Br)cn1 ZINC000752748338 626437228 /nfs/dbraw/zinc/43/72/28/626437228.db2.gz WADBRESYLYZVML-MRVPVSSYSA-N 1 1 256.147 3.060 20 30 CGEDMO C#CCC[N@H+]1C[C@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000752858616 626440990 /nfs/dbraw/zinc/44/09/90/626440990.db2.gz WOHNRHXZIQOYTJ-NVXWUHKLSA-N 1 1 257.377 3.089 20 30 CGEDMO C#CCC[N@@H+]1C[C@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000752858616 626440992 /nfs/dbraw/zinc/44/09/92/626440992.db2.gz WOHNRHXZIQOYTJ-NVXWUHKLSA-N 1 1 257.377 3.089 20 30 CGEDMO C#Cc1ccc(C[NH2+][C@@H](CC)c2nccs2)cc1 ZINC000809621813 626448745 /nfs/dbraw/zinc/44/87/45/626448745.db2.gz RHEVOYBYDCXZOM-AWEZNQCLSA-N 1 1 256.374 3.365 20 30 CGEDMO C=CC[N@@H+](CCC(=O)C(C)(C)C)CCc1ccco1 ZINC000753747388 626464468 /nfs/dbraw/zinc/46/44/68/626464468.db2.gz IKFYSXGFOOYJRF-UHFFFAOYSA-N 1 1 263.381 3.315 20 30 CGEDMO C=CCCCCC[N@H+](C)Cn1ncc(Cl)c1C ZINC000753792497 626465809 /nfs/dbraw/zinc/46/58/09/626465809.db2.gz JEUCWPUYJXORGD-UHFFFAOYSA-N 1 1 255.793 3.481 20 30 CGEDMO CCCCCCCCNC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000754864698 626591153 /nfs/dbraw/zinc/59/11/53/626591153.db2.gz KUADDCKAYMLKCF-HOTGVXAUSA-N 1 1 295.471 3.273 20 30 CGEDMO CCc1[nH+]c(C=NOCc2ccccc2)c2ccccn12 ZINC000755632773 626632684 /nfs/dbraw/zinc/63/26/84/626632684.db2.gz SLONVFAUNLHCSL-UHFFFAOYSA-N 1 1 279.343 3.447 20 30 CGEDMO CCN(CC)c1ccc(C=[NH+]O[C@H]2CCCCO2)c(O)c1 ZINC000755817286 626650101 /nfs/dbraw/zinc/65/01/01/626650101.db2.gz YJDWMYMTWLMHIO-INIZCTEOSA-N 1 1 292.379 3.116 20 30 CGEDMO CC(C)[C@H]1CC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000755919089 626660500 /nfs/dbraw/zinc/66/05/00/626660500.db2.gz FUZKFTSZFOUFAX-KRWDZBQOSA-N 1 1 294.402 3.357 20 30 CGEDMO CCOC(=O)/C=C\C[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000756094308 626676567 /nfs/dbraw/zinc/67/65/67/626676567.db2.gz RDCSTTULJFOIMJ-LMVHVUTASA-N 1 1 286.375 3.060 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OCOCC)cc1)C1CC1 ZINC000757923453 626814741 /nfs/dbraw/zinc/81/47/41/626814741.db2.gz MJFHDHKBGPBQIH-UHFFFAOYSA-N 1 1 261.365 3.210 20 30 CGEDMO CCCCCC[C@@H](C)NN=C1CCC[N@@H+](C)CC1 ZINC000758119583 626828091 /nfs/dbraw/zinc/82/80/91/626828091.db2.gz YDALACZNVCPTMU-CQSZACIVSA-N 1 1 253.434 3.407 20 30 CGEDMO C=CC[N@H+](C[C@H](O)c1ccc(Cl)c(F)c1)C1CC1 ZINC000759850962 626926206 /nfs/dbraw/zinc/92/62/06/626926206.db2.gz NLQDAIPGZIEERC-AWEZNQCLSA-N 1 1 269.747 3.163 20 30 CGEDMO C#CCC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2n1C ZINC000760854576 626996727 /nfs/dbraw/zinc/99/67/27/626996727.db2.gz ADXYULYFVJOWPL-MRXNPFEDSA-N 1 1 267.376 3.124 20 30 CGEDMO C#CCC[N@H+](CCC)CC(=O)Nc1ccc(Cl)cc1 ZINC000760856739 626996986 /nfs/dbraw/zinc/99/69/86/626996986.db2.gz MGSCCWKCQINUPX-UHFFFAOYSA-N 1 1 278.783 3.014 20 30 CGEDMO C#CCC[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000760856265 626997412 /nfs/dbraw/zinc/99/74/12/626997412.db2.gz XODMJNMQJZFKMU-OAHLLOKOSA-N 1 1 252.361 3.371 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000761114152 627017868 /nfs/dbraw/zinc/01/78/68/627017868.db2.gz LMRNZWYEDZAMRF-OAHLLOKOSA-N 1 1 266.429 3.044 20 30 CGEDMO C[C@H]1CC(N=Nc2cccc(C(F)(F)F)c2)C[N@H+]1C ZINC000761792163 627060936 /nfs/dbraw/zinc/06/09/36/627060936.db2.gz BQXHGRFVOWZSGD-VIFPVBQESA-N 1 1 271.286 3.197 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000763880520 627183023 /nfs/dbraw/zinc/18/30/23/627183023.db2.gz WTLUMDYCHAMAGJ-YJBOKZPZSA-N 1 1 273.486 3.437 20 30 CGEDMO C#CC[N@H+](CCOc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000763950418 627187063 /nfs/dbraw/zinc/18/70/63/627187063.db2.gz VEPXGWXJHOBFMF-UHFFFAOYSA-N 1 1 283.293 3.182 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1OCC1CC1)C1CC1 ZINC000764676037 627217771 /nfs/dbraw/zinc/21/77/71/627217771.db2.gz DOMMBUPOFCCZOA-UHFFFAOYSA-N 1 1 255.361 3.073 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1OCC1CC1)C1CC1 ZINC000764676037 627217773 /nfs/dbraw/zinc/21/77/73/627217773.db2.gz DOMMBUPOFCCZOA-UHFFFAOYSA-N 1 1 255.361 3.073 20 30 CGEDMO C#CC[N@@H+](Cc1cccc(OC)c1OC(C)C)C1CC1 ZINC000764676288 627217838 /nfs/dbraw/zinc/21/78/38/627217838.db2.gz IZHAAUSLMRSDHN-UHFFFAOYSA-N 1 1 273.376 3.080 20 30 CGEDMO C#CC[N@H+](Cc1cccc(OC)c1OC(C)C)C1CC1 ZINC000764676288 627217841 /nfs/dbraw/zinc/21/78/41/627217841.db2.gz IZHAAUSLMRSDHN-UHFFFAOYSA-N 1 1 273.376 3.080 20 30 CGEDMO CC#CCCOC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000765465871 627251367 /nfs/dbraw/zinc/25/13/67/627251367.db2.gz UXMRJKHYSWCOPF-UHFFFAOYSA-N 1 1 287.403 3.487 20 30 CGEDMO C=CCCC[C@H](C)OC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000765480298 627252690 /nfs/dbraw/zinc/25/26/90/627252690.db2.gz KFOWYWNSBZNGIB-KBPBESRZSA-N 1 1 253.386 3.149 20 30 CGEDMO C=CCCC[C@H](C)OC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000765480298 627252694 /nfs/dbraw/zinc/25/26/94/627252694.db2.gz KFOWYWNSBZNGIB-KBPBESRZSA-N 1 1 253.386 3.149 20 30 CGEDMO C=CCCC[C@@H](C)OC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000765487712 627253281 /nfs/dbraw/zinc/25/32/81/627253281.db2.gz FDGSEZXYQYDLEK-ZBFHGGJFSA-N 1 1 297.439 3.068 20 30 CGEDMO CCC#C[C@@H](C)[N@@H+](CC)C[C@H](O)c1ccc(C)cc1 ZINC000765498346 627254020 /nfs/dbraw/zinc/25/40/20/627254020.db2.gz AXMFVKGBPPSUFO-WBVHZDCISA-N 1 1 259.393 3.152 20 30 CGEDMO Brc1ccccc1N=NC1CC[N@H+]2CCC[C@@H]12 ZINC000765573085 627260528 /nfs/dbraw/zinc/26/05/28/627260528.db2.gz SEAZRDDHZUSEIQ-ZDUSSCGKSA-N 1 1 294.196 3.085 20 30 CGEDMO C=CC[N@H+](CCCS(=O)(=O)c1cccc(C)c1)C(C)C ZINC000766108677 627296544 /nfs/dbraw/zinc/29/65/44/627296544.db2.gz GHQPCZKFWCDEST-UHFFFAOYSA-N 1 1 295.448 3.055 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)CCc1ccccc1F ZINC000766900876 627368224 /nfs/dbraw/zinc/36/82/24/627368224.db2.gz HBZBIDVRUHBHIN-UHFFFAOYSA-N 1 1 298.361 3.380 20 30 CGEDMO C#CCCC[N@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000766901038 627368675 /nfs/dbraw/zinc/36/86/75/627368675.db2.gz JEOPUPVIOPJKEC-HLLBOEOZSA-N 1 1 257.377 3.250 20 30 CGEDMO C#CCCC[N@@H+]1CCN(c2ccc(C)c(C)c2)C[C@H]1C ZINC000766902001 627369124 /nfs/dbraw/zinc/36/91/24/627369124.db2.gz CCQZAZBBHHSIDY-QGZVFWFLSA-N 1 1 270.420 3.227 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](CCCCCCO)CC2)cc1 ZINC000767731666 627433603 /nfs/dbraw/zinc/43/36/03/627433603.db2.gz XHEVIBRZAPLKIO-UHFFFAOYSA-N 1 1 284.403 3.200 20 30 CGEDMO C[C@H]1C[C@@H](NCC(C)(C)C#N)C[N@H+](Cc2ccccc2)C1 ZINC000768529501 627484695 /nfs/dbraw/zinc/48/46/95/627484695.db2.gz PNFDSXAYLYHKEJ-DOTOQJQBSA-N 1 1 285.435 3.036 20 30 CGEDMO C[C@H]1C[C@@H](NCC(C)(C)C#N)C[N@@H+](Cc2ccccc2)C1 ZINC000768529501 627484699 /nfs/dbraw/zinc/48/46/99/627484699.db2.gz PNFDSXAYLYHKEJ-DOTOQJQBSA-N 1 1 285.435 3.036 20 30 CGEDMO CC(C)[N@H+](CCC#N)Cc1nccc2ccccc21 ZINC000768764858 627497090 /nfs/dbraw/zinc/49/70/90/627497090.db2.gz PSNJVIURAHUJJZ-UHFFFAOYSA-N 1 1 253.349 3.359 20 30 CGEDMO CC(C)[N@@H+](CCC#N)Cc1nccc2ccccc21 ZINC000768764858 627497095 /nfs/dbraw/zinc/49/70/95/627497095.db2.gz PSNJVIURAHUJJZ-UHFFFAOYSA-N 1 1 253.349 3.359 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccc(Br)c(C)c1 ZINC000769103904 627522585 /nfs/dbraw/zinc/52/25/85/627522585.db2.gz DNFCFQMAJYCHDH-UHFFFAOYSA-N 1 1 266.182 3.213 20 30 CGEDMO C#CC[N@@H+](CC)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000769106459 627522784 /nfs/dbraw/zinc/52/27/84/627522784.db2.gz QWGRMFDBFNHTCJ-UHFFFAOYSA-N 1 1 287.794 3.040 20 30 CGEDMO C#CC[N@H+](CC)Cc1cnn(Cc2ccccc2Cl)c1 ZINC000769106459 627522787 /nfs/dbraw/zinc/52/27/87/627522787.db2.gz QWGRMFDBFNHTCJ-UHFFFAOYSA-N 1 1 287.794 3.040 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000769110861 627523168 /nfs/dbraw/zinc/52/31/68/627523168.db2.gz JGBRPFBJFMBODK-UHFFFAOYSA-N 1 1 259.246 3.300 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CCC2(CCC2)C1 ZINC000769447111 627553665 /nfs/dbraw/zinc/55/36/65/627553665.db2.gz SOAXLUDEDSAKMM-UHFFFAOYSA-N 1 1 255.361 3.075 20 30 CGEDMO C#CCOc1ccc(C[N@H+](C(C)C)C2CCC2)cc1 ZINC000769469768 627556546 /nfs/dbraw/zinc/55/65/46/627556546.db2.gz FGCBRIDSQHIVQH-UHFFFAOYSA-N 1 1 257.377 3.462 20 30 CGEDMO Cc1cccc(F)c1N=NC1C[C@H](C)[N@H+](C2CC2)C1 ZINC000769840063 627583024 /nfs/dbraw/zinc/58/30/24/627583024.db2.gz HHMWOESGGPJMFX-NSHDSACASA-N 1 1 261.344 3.159 20 30 CGEDMO C=CC[C@@H]1[N@H+](C[C@H]2CC3(CC3)C(=O)O2)CCCC1(C)C ZINC000769952604 627592470 /nfs/dbraw/zinc/59/24/70/627592470.db2.gz DRYLLMAJGIGIJR-KGLIPLIRSA-N 1 1 277.408 3.149 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCCC[C@H](SC)C2)cc1 ZINC000770349930 627614023 /nfs/dbraw/zinc/61/40/23/627614023.db2.gz OKAFGABDVMNEMC-KRWDZBQOSA-N 1 1 289.444 3.416 20 30 CGEDMO COc1ccc(CNc2ccc3c(c2)[nH+]cn3C)cc1C#N ZINC000770587365 627629688 /nfs/dbraw/zinc/62/96/88/627629688.db2.gz AESABFFHSNRLOU-UHFFFAOYSA-N 1 1 292.342 3.066 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1cnc(C2CCCC2)s1)[C@@H]1CCCO1 ZINC000775340571 628084006 /nfs/dbraw/zinc/08/40/06/628084006.db2.gz HTXCLQQPGZEJPD-CABCVRRESA-N 1 1 290.432 3.071 20 30 CGEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)/N=C/c1cccc(O)c1O ZINC000775631779 628116588 /nfs/dbraw/zinc/11/65/88/628116588.db2.gz VQYVHZMPDAOEQL-HIPSJFSSSA-N 1 1 298.386 3.037 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(OC)cn1)[C@H]1CCc2ccccc21 ZINC000775948098 628152686 /nfs/dbraw/zinc/15/26/86/628152686.db2.gz OZFOPVIDZDOGEY-IBGZPJMESA-N 1 1 292.382 3.213 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OC)cn1)[C@H]1CCc2ccccc21 ZINC000775948098 628152690 /nfs/dbraw/zinc/15/26/90/628152690.db2.gz OZFOPVIDZDOGEY-IBGZPJMESA-N 1 1 292.382 3.213 20 30 CGEDMO C[C@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)[NH+]1CCCCC1 ZINC000776729444 628227834 /nfs/dbraw/zinc/22/78/34/628227834.db2.gz LWEACJBURITMCL-KGLIPLIRSA-N 1 1 289.398 3.222 20 30 CGEDMO Cc1cc(N)cc(C)c1C=[NH+]OCCC(F)(F)F ZINC000777462944 628274193 /nfs/dbraw/zinc/27/41/93/628274193.db2.gz SKHWHNCJNMOCSJ-UHFFFAOYSA-N 1 1 260.259 3.189 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C[C@@H]1F ZINC000779150080 628390303 /nfs/dbraw/zinc/39/03/03/628390303.db2.gz PJYLIZOQZQIBMK-PBHICJAKSA-N 1 1 289.398 3.216 20 30 CGEDMO FC(F)Oc1ccc(Cl)cc1C=NNc1cc[nH+]cc1 ZINC000779807469 628433101 /nfs/dbraw/zinc/43/31/01/628433101.db2.gz YHEGDLZLGKWUBD-UHFFFAOYSA-N 1 1 297.692 3.204 20 30 CGEDMO C#CCCCCCC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000780351733 628484070 /nfs/dbraw/zinc/48/40/70/628484070.db2.gz VKNRDPXGDWTISC-UHFFFAOYSA-N 1 1 292.467 3.341 20 30 CGEDMO C=CC[N@@H+](CN1CC[C@@](C)(Cc2ccccc2)C1=O)C1CC1 ZINC000780446687 628490339 /nfs/dbraw/zinc/49/03/39/628490339.db2.gz DPFJJRRQBYMYOF-IBGZPJMESA-N 1 1 298.430 3.076 20 30 CGEDMO C=CC[N@H+](CN1CC[C@@](C)(Cc2ccccc2)C1=O)C1CC1 ZINC000780446687 628490342 /nfs/dbraw/zinc/49/03/42/628490342.db2.gz DPFJJRRQBYMYOF-IBGZPJMESA-N 1 1 298.430 3.076 20 30 CGEDMO C#CC[N@@H+](CC#CC)Cc1cc(Cl)nc2ccccc12 ZINC000782501015 628650549 /nfs/dbraw/zinc/65/05/49/628650549.db2.gz ZRZXFPRWGCMOIN-UHFFFAOYSA-N 1 1 282.774 3.347 20 30 CGEDMO C#CC[N@H+](CC#CC)Cc1cc(Cl)nc2ccccc12 ZINC000782501015 628650551 /nfs/dbraw/zinc/65/05/51/628650551.db2.gz ZRZXFPRWGCMOIN-UHFFFAOYSA-N 1 1 282.774 3.347 20 30 CGEDMO C#CC[N@@H+](CC#CC)Cc1ccc2nc(C)ccc2c1 ZINC000783575737 628727857 /nfs/dbraw/zinc/72/78/57/628727857.db2.gz ZPYLMEWIUGNOPY-UHFFFAOYSA-N 1 1 262.356 3.002 20 30 CGEDMO C#CC[N@H+](CC#CC)Cc1ccc2nc(C)ccc2c1 ZINC000783575737 628727860 /nfs/dbraw/zinc/72/78/60/628727860.db2.gz ZPYLMEWIUGNOPY-UHFFFAOYSA-N 1 1 262.356 3.002 20 30 CGEDMO C[N@H+]1CCCC(N=Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000783881441 628754786 /nfs/dbraw/zinc/75/47/86/628754786.db2.gz ZELRFDAWVGYGLG-UHFFFAOYSA-N 1 1 276.771 3.095 20 30 CGEDMO C[C@]1(C#N)CCC[N@H+](CCOC2CCCCCC2)C1 ZINC000784453208 628814410 /nfs/dbraw/zinc/81/44/10/628814410.db2.gz ILBUMVAVKNEFPO-MRXNPFEDSA-N 1 1 264.413 3.351 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](CCOC2CCCCCC2)C1 ZINC000784453208 628814411 /nfs/dbraw/zinc/81/44/11/628814411.db2.gz ILBUMVAVKNEFPO-MRXNPFEDSA-N 1 1 264.413 3.351 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805794272 628907515 /nfs/dbraw/zinc/90/75/15/628907515.db2.gz SUZWUOFBTVBYCK-QGZVFWFLSA-N 1 1 294.439 3.286 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc(Br)cc(C)c1O ZINC000786578744 628949078 /nfs/dbraw/zinc/94/90/78/628949078.db2.gz MPSOFRWDGUHRAO-UHFFFAOYSA-N 1 1 284.197 3.471 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1cccc(Cl)c1OCC ZINC000787289170 629007038 /nfs/dbraw/zinc/00/70/38/629007038.db2.gz FLJDPZDNKLOJON-NSHDSACASA-N 1 1 251.757 3.192 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1cccc(Cl)c1OCC ZINC000787289170 629007041 /nfs/dbraw/zinc/00/70/41/629007041.db2.gz FLJDPZDNKLOJON-NSHDSACASA-N 1 1 251.757 3.192 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CC[C@H](C(C)(C)C)C[C@H]1C ZINC000805838776 629013644 /nfs/dbraw/zinc/01/36/44/629013644.db2.gz HHOMCGSVAZWTOJ-MCIONIFRSA-N 1 1 252.402 3.062 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000787998144 629038651 /nfs/dbraw/zinc/03/86/51/629038651.db2.gz XIEZEPRQEVDKRT-UHFFFAOYSA-N 1 1 266.182 3.293 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000787998368 629039216 /nfs/dbraw/zinc/03/92/16/629039216.db2.gz ZZRUCOQHYCEHOU-UHFFFAOYSA-N 1 1 290.363 3.226 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000787998368 629039220 /nfs/dbraw/zinc/03/92/20/629039220.db2.gz ZZRUCOQHYCEHOU-UHFFFAOYSA-N 1 1 290.363 3.226 20 30 CGEDMO COc1cc(N=NC2C[N@H+](C3CC3)C[C@H]2C)ccc1Cl ZINC000788468760 629056732 /nfs/dbraw/zinc/05/67/32/629056732.db2.gz XWYUWWCLYMTIGT-SNVBAGLBSA-N 1 1 293.798 3.231 20 30 CGEDMO C=C1CC[NH+]([C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)CC1 ZINC000789320960 629124102 /nfs/dbraw/zinc/12/41/02/629124102.db2.gz PRXACFFSMOVXOE-KRWDZBQOSA-N 1 1 298.430 3.369 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)Cc2ccc3c(c2)CCC3)n1 ZINC000789326252 629124985 /nfs/dbraw/zinc/12/49/85/629124985.db2.gz QWQIRAIXHCYKSI-UHFFFAOYSA-N 1 1 293.414 3.027 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)Cc2ccc3c(c2)CCC3)n1 ZINC000789326252 629124987 /nfs/dbraw/zinc/12/49/87/629124987.db2.gz QWQIRAIXHCYKSI-UHFFFAOYSA-N 1 1 293.414 3.027 20 30 CGEDMO C#Cc1cccc(N(C)C(=O)CC[N@@H+](C)C2CCCCC2)c1 ZINC000791126932 629256855 /nfs/dbraw/zinc/25/68/55/629256855.db2.gz LEOYWVBRPAXASU-UHFFFAOYSA-N 1 1 298.430 3.285 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000862442454 629375820 /nfs/dbraw/zinc/37/58/20/629375820.db2.gz CECDIKCIHSJJGB-ZDUSSCGKSA-N 1 1 297.320 3.473 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(OCCC)c(OC)c2)C1 ZINC000862443717 629377074 /nfs/dbraw/zinc/37/70/74/629377074.db2.gz SKEMJGXWYODEML-OAHLLOKOSA-N 1 1 287.403 3.329 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000862444728 629377746 /nfs/dbraw/zinc/37/77/46/629377746.db2.gz GEWFCZHEKUQHDG-LLVKDONJSA-N 1 1 251.732 3.324 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC000862446589 629378952 /nfs/dbraw/zinc/37/89/52/629378952.db2.gz BCKHKEZYIXMIRU-AWEZNQCLSA-N 1 1 297.377 3.071 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCCC(F)(F)CC2)cc1 ZINC000862466501 629382918 /nfs/dbraw/zinc/38/29/18/629382918.db2.gz JFWUXUBOFUNFAL-UHFFFAOYSA-N 1 1 279.330 3.320 20 30 CGEDMO C#CC[N@H+](CCCCCF)Cc1ccc(F)cc1 ZINC000792866773 629388525 /nfs/dbraw/zinc/38/85/25/629388525.db2.gz JHVSFDPRQINHEJ-UHFFFAOYSA-N 1 1 251.320 3.401 20 30 CGEDMO CCOCCC[N@H+]1CCC(N=N[C@H](C)C(C)(C)C)[C@H](C)C1 ZINC000793113244 629412240 /nfs/dbraw/zinc/41/22/40/629412240.db2.gz BSOAMRUHAPKJSP-HUUCEWRRSA-N 1 1 297.487 3.135 20 30 CGEDMO Fc1cccc(N=NC2CC[N@H+]3CCC[C@@H]23)c1Cl ZINC000863158583 629484630 /nfs/dbraw/zinc/48/46/30/629484630.db2.gz HZBGRQNJOZXTRJ-LBPRGKRZSA-N 1 1 267.735 3.115 20 30 CGEDMO Cc1cccnc1[C@@H]1CCCC(=[NH+]n2cccn2)C1 ZINC000863163707 629486839 /nfs/dbraw/zinc/48/68/39/629486839.db2.gz MWAUASABVULYRC-CYBMUJFWSA-N 1 1 254.337 3.148 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+](CC)CC2CC2)cc1 ZINC000125656693 634750113 /nfs/dbraw/zinc/75/01/13/634750113.db2.gz REGREAPQMMMFSR-UHFFFAOYSA-N 1 1 257.377 3.321 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2C[C@H](C)OC(C)(C)C2)cc1 ZINC000119534422 629613498 /nfs/dbraw/zinc/61/34/98/629613498.db2.gz QUDJWHIMBHEWCS-HNNXBMFYSA-N 1 1 287.403 3.088 20 30 CGEDMO C=CCNN=C1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000794999038 629617590 /nfs/dbraw/zinc/61/75/90/629617590.db2.gz URJKOGQFGDQABA-IRXDYDNUSA-N 1 1 283.419 3.050 20 30 CGEDMO C=CCC(C)(C)c1noc([C@H]([NH3+])CCC(C)C)n1 ZINC000863675098 629642962 /nfs/dbraw/zinc/64/29/62/629642962.db2.gz OOCNWQHXXVXDJO-LLVKDONJSA-N 1 1 251.374 3.359 20 30 CGEDMO COc1ccc(C(=O)CC[N@H+](CCC#N)CC(C)C)cc1 ZINC000795919217 629725506 /nfs/dbraw/zinc/72/55/06/629725506.db2.gz NIHLRODRSWZTOL-UHFFFAOYSA-N 1 1 288.391 3.140 20 30 CGEDMO COc1ccc(C(=O)CC[N@@H+](CCC#N)CC(C)C)cc1 ZINC000795919217 629725511 /nfs/dbraw/zinc/72/55/11/629725511.db2.gz NIHLRODRSWZTOL-UHFFFAOYSA-N 1 1 288.391 3.140 20 30 CGEDMO CCCCCCCC[N@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000796339137 629768609 /nfs/dbraw/zinc/76/86/09/629768609.db2.gz AEBCDTNLHXVGJZ-CVEARBPZSA-N 1 1 269.429 3.227 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)Cc1ccc(OC)c(C#N)c1 ZINC000796632592 629808468 /nfs/dbraw/zinc/80/84/68/629808468.db2.gz MSXVNQDUBLDFRY-UHFFFAOYSA-N 1 1 290.366 3.202 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(OC)c(C#N)c1 ZINC000796632592 629808469 /nfs/dbraw/zinc/80/84/69/629808469.db2.gz MSXVNQDUBLDFRY-UHFFFAOYSA-N 1 1 290.366 3.202 20 30 CGEDMO Oc1ccc(Cl)cc1/C=N/C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000864346138 629815309 /nfs/dbraw/zinc/81/53/09/629815309.db2.gz ONBVKJROMNEKAN-ZNBBLSJYSA-N 1 1 292.810 3.481 20 30 CGEDMO C=C(Br)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000120119641 629867632 /nfs/dbraw/zinc/86/76/32/629867632.db2.gz GUHIKJWPBIICGL-ZDUSSCGKSA-N 1 1 266.182 3.385 20 30 CGEDMO C=C(Br)C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000120119641 629867634 /nfs/dbraw/zinc/86/76/34/629867634.db2.gz GUHIKJWPBIICGL-ZDUSSCGKSA-N 1 1 266.182 3.385 20 30 CGEDMO Cc1cc(C)c(CSCCO[C@@H](C)C#N)c(C)[nH+]1 ZINC000865281218 630047278 /nfs/dbraw/zinc/04/72/78/630047278.db2.gz JSWRETRASABCPJ-LBPRGKRZSA-N 1 1 264.394 3.169 20 30 CGEDMO C=CC[C@H](CC)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000798937136 630127608 /nfs/dbraw/zinc/12/76/08/630127608.db2.gz OWIXDRLZHBVASY-AAEUAGOBSA-N 1 1 277.364 3.184 20 30 CGEDMO CCN(C)c1ccc(C=[NH+]OCc2ccccc2OC)cn1 ZINC000799118429 630146741 /nfs/dbraw/zinc/14/67/41/630146741.db2.gz GBAZAGYUGONVIG-UHFFFAOYSA-N 1 1 299.374 3.097 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](c3ccccn3)C2)c1 ZINC000799195861 630157126 /nfs/dbraw/zinc/15/71/26/630157126.db2.gz MDAGACILCIFQAG-CQSZACIVSA-N 1 1 281.334 3.082 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1c[nH]c(=NC(=O)OC(C)(C)C)s1 ZINC000800519236 630291277 /nfs/dbraw/zinc/29/12/77/630291277.db2.gz MDPOPWCAGPGHII-UHFFFAOYSA-N 1 1 297.424 3.498 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000801911183 630364179 /nfs/dbraw/zinc/36/41/79/630364179.db2.gz VKWXXVAWCQWCSE-CQSZACIVSA-N 1 1 268.360 3.200 20 30 CGEDMO CC[C@@H](c1ccccc1)[N@@H+](CC)CCO[C@@H](C)C#N ZINC000801913225 630365255 /nfs/dbraw/zinc/36/52/55/630365255.db2.gz AXVRCYAEPCARAZ-HOCLYGCPSA-N 1 1 260.381 3.388 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](C)Cc1cccc2ccccc21 ZINC000801915184 630366001 /nfs/dbraw/zinc/36/60/01/630366001.db2.gz OILFPGSKLKWMOF-CQSZACIVSA-N 1 1 268.360 3.200 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000801920773 630367126 /nfs/dbraw/zinc/36/71/26/630367126.db2.gz SDYDXUZRKLBVQD-XHDPSFHLSA-N 1 1 280.318 3.030 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCc2ccc(C(C)(C)C)cc2C1 ZINC000801939666 630371461 /nfs/dbraw/zinc/37/14/61/630371461.db2.gz VGDLMSWTNFQJMH-CQSZACIVSA-N 1 1 286.419 3.271 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000801940985 630371933 /nfs/dbraw/zinc/37/19/33/630371933.db2.gz VRALBANZBNEIEZ-UPJWGTAASA-N 1 1 276.355 3.062 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CC[C@@H](C)C2(CCCCC2)C1 ZINC000801941195 630371983 /nfs/dbraw/zinc/37/19/83/630371983.db2.gz JXLYOYURNLASLL-CABCVRRESA-N 1 1 264.413 3.207 20 30 CGEDMO C#CCCC[N@H+]1CCOc2ccc(Br)cc2C1 ZINC000801967495 630373336 /nfs/dbraw/zinc/37/33/36/630373336.db2.gz FLENRDZAJRHCHH-UHFFFAOYSA-N 1 1 294.192 3.057 20 30 CGEDMO C#CCCC[N@@H+]1CCOc2ccc(Br)cc2C1 ZINC000801967495 630373339 /nfs/dbraw/zinc/37/33/39/630373339.db2.gz FLENRDZAJRHCHH-UHFFFAOYSA-N 1 1 294.192 3.057 20 30 CGEDMO C=CC[N@@H+](CC1CCCCC1)CN1C(=O)[C@@H]2CCC[C@@H]21 ZINC000839993488 630449793 /nfs/dbraw/zinc/44/97/93/630449793.db2.gz DSZOOAKYDPLREU-CVEARBPZSA-N 1 1 276.424 3.023 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)CN1C[C@H](C)[C@@H](C)C1=O ZINC000840059633 630559209 /nfs/dbraw/zinc/55/92/09/630559209.db2.gz BEKXBWBQFHSBLE-JKSUJKDBSA-N 1 1 286.419 3.137 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)CN1C[C@H](C)[C@@H](C)C1=O ZINC000840059633 630559213 /nfs/dbraw/zinc/55/92/13/630559213.db2.gz BEKXBWBQFHSBLE-JKSUJKDBSA-N 1 1 286.419 3.137 20 30 CGEDMO C[N@@H+](Cc1cc2c(cc1O)CCCC2)CC(C)(C)C#N ZINC000840080011 630579790 /nfs/dbraw/zinc/57/97/90/630579790.db2.gz XYNAOBDEMNQZIL-UHFFFAOYSA-N 1 1 272.392 3.253 20 30 CGEDMO C=CCCCCCCNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000807572277 630593784 /nfs/dbraw/zinc/59/37/84/630593784.db2.gz YFAOUQXALBRVPN-HOTGVXAUSA-N 1 1 295.471 3.247 20 30 CGEDMO COc1ccc(C[N@@H+](CCO[C@@H](C)C#N)C(C)(C)C)cc1 ZINC000808795243 630678892 /nfs/dbraw/zinc/67/88/92/630678892.db2.gz KUOKGIHHZWSDNI-AWEZNQCLSA-N 1 1 290.407 3.224 20 30 CGEDMO C=CC[C@@H](C)[N@@H+](C)Cc1nc([C@H](C)SCC)no1 ZINC000878197681 635409794 /nfs/dbraw/zinc/40/97/94/635409794.db2.gz JZOXYWXZTIUKIO-MNOVXSKESA-N 1 1 269.414 3.280 20 30 CGEDMO C=CC[C@@H](C)[N@H+](C)Cc1nc([C@H](C)SCC)no1 ZINC000878197681 635409806 /nfs/dbraw/zinc/40/98/06/635409806.db2.gz JZOXYWXZTIUKIO-MNOVXSKESA-N 1 1 269.414 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CC2CCC1(CNC(=O)OC(C)(C)C)CC2 ZINC000809568259 630751736 /nfs/dbraw/zinc/75/17/36/630751736.db2.gz JOCICNIHKHUDAE-UHFFFAOYSA-N 1 1 294.439 3.332 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC[C@@]3(CCCOC3)C2)cc1 ZINC000809580792 630755141 /nfs/dbraw/zinc/75/51/41/630755141.db2.gz FJGOIOGAFWKJDQ-GOSISDBHSA-N 1 1 269.388 3.061 20 30 CGEDMO C#C[C@H](NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)C(C)C ZINC000809685470 630781057 /nfs/dbraw/zinc/78/10/57/630781057.db2.gz VLJNVKAYFRZMNY-SZMVWBNQSA-N 1 1 276.468 3.277 20 30 CGEDMO C#C[C@H](CC)[NH2+]Cc1c(Cl)nc2cc(Cl)ccn21 ZINC000809686052 630782181 /nfs/dbraw/zinc/78/21/81/630782181.db2.gz JVTDZUCOOHLFFC-SNVBAGLBSA-N 1 1 282.174 3.143 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1ncc(C(C)C)s1)C(C)(C)C ZINC000809781275 630806362 /nfs/dbraw/zinc/80/63/62/630806362.db2.gz MZJGBCKLBHUJAV-GFCCVEGCSA-N 1 1 250.411 3.404 20 30 CGEDMO C#CC[C@@H](OC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)(C)C ZINC000810674096 630925462 /nfs/dbraw/zinc/92/54/62/630925462.db2.gz XHGCKVWFFKVXGX-DYVFJYSZSA-N 1 1 297.414 3.180 20 30 CGEDMO C#CCCCCC[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000878631388 635579996 /nfs/dbraw/zinc/57/99/96/635579996.db2.gz FYMANSFRLRYCAP-CVEARBPZSA-N 1 1 261.409 3.214 20 30 CGEDMO C=CCCCCCCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000811590651 631089098 /nfs/dbraw/zinc/08/90/98/631089098.db2.gz CDVYFOPBARHPOI-HNNXBMFYSA-N 1 1 266.429 3.114 20 30 CGEDMO C[C@@H]1C(N=Nc2ccnc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000811647429 631096479 /nfs/dbraw/zinc/09/64/79/631096479.db2.gz MMTFFRGQICZFJP-CYBMUJFWSA-N 1 1 298.365 3.283 20 30 CGEDMO Cc1cccnc1N=NC1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000811649855 631097042 /nfs/dbraw/zinc/09/70/42/631097042.db2.gz ZSKSKWOZKQVTIB-HNNXBMFYSA-N 1 1 294.402 3.452 20 30 CGEDMO CC(=[NH+]OC1CCC1)c1ccc(F)cc1N(C)C ZINC000812234982 631226657 /nfs/dbraw/zinc/22/66/57/631226657.db2.gz FWYHTIXPPXWJEC-UHFFFAOYSA-N 1 1 250.317 3.185 20 30 CGEDMO C=C(C)C[N@H+](C)CN1C[C@H](c2cccc(Cl)c2)CC1=O ZINC000812288196 631234875 /nfs/dbraw/zinc/23/48/75/631234875.db2.gz JWYPDFDEHKWUFY-CQSZACIVSA-N 1 1 292.810 3.121 20 30 CGEDMO C=C(C)C[N@@H+](C)CN1C[C@H](c2cccc(Cl)c2)CC1=O ZINC000812288196 631234885 /nfs/dbraw/zinc/23/48/85/631234885.db2.gz JWYPDFDEHKWUFY-CQSZACIVSA-N 1 1 292.810 3.121 20 30 CGEDMO C#CCCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000812839688 631322881 /nfs/dbraw/zinc/32/28/81/631322881.db2.gz AHNRWJPALUXTHF-YYIAUSFCSA-N 1 1 263.425 3.051 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000814677039 631620219 /nfs/dbraw/zinc/62/02/19/631620219.db2.gz MYLPLAMLNRFOLX-CQSZACIVSA-N 1 1 292.220 3.337 20 30 CGEDMO CC(=[NH+]Nc1cccc(C)c1)c1cc([N+](=O)[O-])ccc1N ZINC000814687269 631622991 /nfs/dbraw/zinc/62/29/91/631622991.db2.gz FMGOTUHLUZHPPP-UHFFFAOYSA-N 1 1 284.319 3.322 20 30 CGEDMO CC(=[NH+]Nc1cc(C)ccc1C)c1ccc(N)nc1 ZINC000814753211 631633410 /nfs/dbraw/zinc/63/34/10/631633410.db2.gz IBJHRXYIYBPTPM-UHFFFAOYSA-N 1 1 254.337 3.117 20 30 CGEDMO CCC(=[NH+]NCc1cc(F)ccc1F)c1cccc(N)c1 ZINC000814809198 631645710 /nfs/dbraw/zinc/64/57/10/631645710.db2.gz QTFLNKMFGOLCIT-UHFFFAOYSA-N 1 1 289.329 3.451 20 30 CGEDMO CC[C@H](C)NN=C1CCC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000814913648 631678892 /nfs/dbraw/zinc/67/88/92/631678892.db2.gz SFZJCHJHSXNCRH-LSDHHAIUSA-N 1 1 273.424 3.415 20 30 CGEDMO CC[C@H](C)NN=C1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000814913648 631678897 /nfs/dbraw/zinc/67/88/97/631678897.db2.gz SFZJCHJHSXNCRH-LSDHHAIUSA-N 1 1 273.424 3.415 20 30 CGEDMO CC(=[NH+]NCC1(C)CCCC1)c1cc(F)c(N)c(F)c1 ZINC000814937963 631691349 /nfs/dbraw/zinc/69/13/49/631691349.db2.gz SRLOMIVAWXYKIJ-UHFFFAOYSA-N 1 1 281.350 3.441 20 30 CGEDMO CC[N@@H+](Cc1ccc(N(C)C)c(C)c1)C[C@@H](C)C#N ZINC000815031380 631705244 /nfs/dbraw/zinc/70/52/44/631705244.db2.gz SCYULGSPUWPGAJ-ZDUSSCGKSA-N 1 1 259.397 3.043 20 30 CGEDMO CC[N@H+](Cc1ccc(N(C)C)c(C)c1)C[C@@H](C)C#N ZINC000815031380 631705250 /nfs/dbraw/zinc/70/52/50/631705250.db2.gz SCYULGSPUWPGAJ-ZDUSSCGKSA-N 1 1 259.397 3.043 20 30 CGEDMO C[C@@H](CC#N)[N@H+](C)C[C@H](O)c1cccc2ccccc21 ZINC000815061302 631708572 /nfs/dbraw/zinc/70/85/72/631708572.db2.gz PQWBRECAFBTIDC-GUYCJALGSA-N 1 1 268.360 3.107 20 30 CGEDMO C[C@@H](CC#N)[N@@H+](C)C[C@H](O)c1cccc2ccccc21 ZINC000815061302 631708574 /nfs/dbraw/zinc/70/85/74/631708574.db2.gz PQWBRECAFBTIDC-GUYCJALGSA-N 1 1 268.360 3.107 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)[C@@H]2C=CCCCCC2)n1 ZINC000815103917 631717803 /nfs/dbraw/zinc/71/78/03/631717803.db2.gz VHFKUYHOIYKHQK-QGZVFWFLSA-N 1 1 271.408 3.227 20 30 CGEDMO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000818346399 632312113 /nfs/dbraw/zinc/31/21/13/632312113.db2.gz DTKMSSTYEIIJJT-PEYYIBSZSA-N 1 1 279.355 3.163 20 30 CGEDMO CCCCC(N)=[NH+]OCc1nc(C(C)(C)C)cs1 ZINC000120848400 632973868 /nfs/dbraw/zinc/97/38/68/632973868.db2.gz OOFIEGMPQCGEJZ-UHFFFAOYSA-N 1 1 269.414 3.420 20 30 CGEDMO C[C@H]1C[N@@H+](CCCC(C)(C)C#N)CC[C@H](C(F)(F)F)O1 ZINC000880059602 635905833 /nfs/dbraw/zinc/90/58/33/635905833.db2.gz JOXMMGJTGRFJCH-NWDGAFQWSA-N 1 1 292.345 3.358 20 30 CGEDMO Cc1ccccc1[C@@H](C)c1noc([C@@H]([NH3+])CCCC#N)n1 ZINC000822875619 633033609 /nfs/dbraw/zinc/03/36/09/633033609.db2.gz OCRWCNVCWZLMPN-OCCSQVGLSA-N 1 1 284.363 3.224 20 30 CGEDMO C#CC[N@@H+](Cc1ccnc(Cl)c1F)C1CCCC1 ZINC000823477106 633112889 /nfs/dbraw/zinc/11/28/89/633112889.db2.gz KIOLHRIEYHBTCA-UHFFFAOYSA-N 1 1 266.747 3.252 20 30 CGEDMO C#CC[N@H+](Cc1ccnc(Cl)c1F)C1CCCC1 ZINC000823477106 633112892 /nfs/dbraw/zinc/11/28/92/633112892.db2.gz KIOLHRIEYHBTCA-UHFFFAOYSA-N 1 1 266.747 3.252 20 30 CGEDMO COc1c(C)cccc1C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866384130 633113616 /nfs/dbraw/zinc/11/36/16/633113616.db2.gz HTGQZXCKZZWJSE-ZDUSSCGKSA-N 1 1 296.370 3.432 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)c1cccc(F)c1 ZINC000823618685 633128130 /nfs/dbraw/zinc/12/81/30/633128130.db2.gz UJCDBPYPBROYDX-UGSOOPFHSA-N 1 1 298.361 3.424 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000823618187 633128281 /nfs/dbraw/zinc/12/82/81/633128281.db2.gz PGQUMQQYRZGJCN-BBRMVZONSA-N 1 1 298.386 3.037 20 30 CGEDMO CC[N@@H+](Cc1ccc(Br)cc1O)C[C@H](C)C#N ZINC000824596961 633263528 /nfs/dbraw/zinc/26/35/28/633263528.db2.gz LZDFGMFZEHIKFG-SNVBAGLBSA-N 1 1 297.196 3.136 20 30 CGEDMO CC[N@H+](Cc1ccc(Br)cc1O)C[C@H](C)C#N ZINC000824596961 633263533 /nfs/dbraw/zinc/26/35/33/633263533.db2.gz LZDFGMFZEHIKFG-SNVBAGLBSA-N 1 1 297.196 3.136 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[NH2+][C@H](c2ccccc2C)C1 ZINC000825161260 633333131 /nfs/dbraw/zinc/33/31/31/633333131.db2.gz BBIGSQRWNSJLNK-INIZCTEOSA-N 1 1 286.419 3.070 20 30 CGEDMO C#CCCCCC(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000826667944 633424708 /nfs/dbraw/zinc/42/47/08/633424708.db2.gz QYJMPKQTBIYALN-KRWDZBQOSA-N 1 1 290.451 3.093 20 30 CGEDMO CCC(C#N)(CC)C(=O)OCc1c(C)cc(C)[nH+]c1C ZINC000869563202 633470627 /nfs/dbraw/zinc/47/06/27/633470627.db2.gz SAEGRYXIUOVBTK-UHFFFAOYSA-N 1 1 274.364 3.380 20 30 CGEDMO C#CCC[N@H+](CCOC)C[C@H](CC)c1ccccc1 ZINC000827823197 633522006 /nfs/dbraw/zinc/52/20/06/633522006.db2.gz KKPZGAYGPBTKSK-INIZCTEOSA-N 1 1 259.393 3.152 20 30 CGEDMO C=CCCCC[N@@H+]1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000828059605 633554935 /nfs/dbraw/zinc/55/49/35/633554935.db2.gz VMNAFOHNZKYJIW-QZTJIDSGSA-N 1 1 289.419 3.167 20 30 CGEDMO C#CCOc1ccc(CNc2nc(C)[nH+]c(C)c2C)cc1 ZINC000829027241 633681825 /nfs/dbraw/zinc/68/18/25/633681825.db2.gz OTMVXHLRSCLQNZ-UHFFFAOYSA-N 1 1 281.359 3.026 20 30 CGEDMO C=CCCC[C@@H](C)[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC000829163095 633705351 /nfs/dbraw/zinc/70/53/51/633705351.db2.gz RGDBICOLTLTVGO-LLVKDONJSA-N 1 1 265.788 3.233 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCc2cc(Cl)nnc2C1 ZINC000829163095 633705354 /nfs/dbraw/zinc/70/53/54/633705354.db2.gz RGDBICOLTLTVGO-LLVKDONJSA-N 1 1 265.788 3.233 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2nc3ccccc3nc2C)C1 ZINC000829769612 633779158 /nfs/dbraw/zinc/77/91/58/633779158.db2.gz XOKPTKPLXWCVQP-OAHLLOKOSA-N 1 1 279.387 3.174 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C)C1 ZINC000829773794 633780774 /nfs/dbraw/zinc/78/07/74/633780774.db2.gz JWZDNCSMQFRHQR-HZPDHXFCSA-N 1 1 284.403 3.057 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000829789166 633783751 /nfs/dbraw/zinc/78/37/51/633783751.db2.gz PBVXTJYMQYVGJW-INIZCTEOSA-N 1 1 282.387 3.062 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000829789167 633784670 /nfs/dbraw/zinc/78/46/70/633784670.db2.gz PBVXTJYMQYVGJW-MRXNPFEDSA-N 1 1 282.387 3.062 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000829810994 633793963 /nfs/dbraw/zinc/79/39/63/633793963.db2.gz XSVUMCXYYLXZPE-INIZCTEOSA-N 1 1 279.387 3.108 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000829814994 633795037 /nfs/dbraw/zinc/79/50/37/633795037.db2.gz DGZYYNPNDVSNCH-NWDGAFQWSA-N 1 1 260.208 3.306 20 30 CGEDMO C#CC1CC[NH+](Cc2nc3cc(Cl)ccc3n2C)CC1 ZINC000830343333 633853357 /nfs/dbraw/zinc/85/33/57/633853357.db2.gz SWGXTPGIBNVETN-UHFFFAOYSA-N 1 1 287.794 3.072 20 30 CGEDMO C=C(Cl)C[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000831713742 633994816 /nfs/dbraw/zinc/99/48/16/633994816.db2.gz YYNXHVDTRJNKMR-OLZOCXBDSA-N 1 1 255.789 3.020 20 30 CGEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2cc(C)oc2C)no1 ZINC000872179365 634079691 /nfs/dbraw/zinc/07/96/91/634079691.db2.gz AKAFSWFBLXQSAB-JTQLQIEISA-N 1 1 267.716 3.089 20 30 CGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(Cc2cc(C)ccc2F)no1 ZINC000872184383 634081315 /nfs/dbraw/zinc/08/13/15/634081315.db2.gz UBHHTXYZHKNQNI-GFCCVEGCSA-N 1 1 295.745 3.250 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cn2ccc(-c3cccc(F)c3)n2)C1 ZINC000872624892 634178719 /nfs/dbraw/zinc/17/87/19/634178719.db2.gz YDJXMUUEPWNHFV-AWEZNQCLSA-N 1 1 298.365 3.272 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cn2ccc(-c3cccc(F)c3)n2)C1 ZINC000872624892 634178722 /nfs/dbraw/zinc/17/87/22/634178722.db2.gz YDJXMUUEPWNHFV-AWEZNQCLSA-N 1 1 298.365 3.272 20 30 CGEDMO C[N@@H+](Cc1c(O)ccc2ccncc21)[C@H]1CCC[C@@H]1C#N ZINC000872682982 634186446 /nfs/dbraw/zinc/18/64/46/634186446.db2.gz SJGBLDCNRBYOOA-CJNGLKHVSA-N 1 1 281.359 3.064 20 30 CGEDMO CCCc1ncc(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)o1 ZINC000834899824 634276695 /nfs/dbraw/zinc/27/66/95/634276695.db2.gz LXHBCEFPEFYKLB-CYBMUJFWSA-N 1 1 299.374 3.380 20 30 CGEDMO COC(=O)c1ccc(N[NH2+]C=C2CC2(F)F)cc1Cl ZINC000834974149 634299988 /nfs/dbraw/zinc/29/99/88/634299988.db2.gz UMVGJFYAZXQHCD-ZETCQYMHSA-N 1 1 288.681 3.180 20 30 CGEDMO C#CCCCCCC[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000876619243 634870453 /nfs/dbraw/zinc/87/04/53/634870453.db2.gz RHANYZXFDYCNAJ-HNNXBMFYSA-N 1 1 259.397 3.173 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000876619243 634870458 /nfs/dbraw/zinc/87/04/58/634870458.db2.gz RHANYZXFDYCNAJ-HNNXBMFYSA-N 1 1 259.397 3.173 20 30 CGEDMO C#CCCCCCC[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000876619243 634870460 /nfs/dbraw/zinc/87/04/60/634870460.db2.gz RHANYZXFDYCNAJ-HNNXBMFYSA-N 1 1 259.397 3.173 20 30 CGEDMO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000876750243 634892839 /nfs/dbraw/zinc/89/28/39/634892839.db2.gz OXBQZPHQMLHTGW-WDEREUQCSA-N 1 1 263.772 3.227 20 30 CGEDMO C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1cc(C#N)cnc1Cl ZINC000876750243 634892842 /nfs/dbraw/zinc/89/28/42/634892842.db2.gz OXBQZPHQMLHTGW-WDEREUQCSA-N 1 1 263.772 3.227 20 30 CGEDMO CC(C)Oc1ccc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1C#N ZINC000877174162 635007097 /nfs/dbraw/zinc/00/70/97/635007097.db2.gz BAKNBCHRLJMBJL-BBRMVZONSA-N 1 1 287.407 3.240 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000877519269 635068409 /nfs/dbraw/zinc/06/84/09/635068409.db2.gz XKUKYNSGCLTRPS-AWEZNQCLSA-N 1 1 291.357 3.349 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840938287 635086022 /nfs/dbraw/zinc/08/60/22/635086022.db2.gz AUAZLXOVEYGPDE-JTQLQIEISA-N 1 1 252.745 3.136 20 30 CGEDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1(C#N)CCCC1 ZINC000877609949 635110358 /nfs/dbraw/zinc/11/03/58/635110358.db2.gz OMAXNFGVVWWXRT-UHFFFAOYSA-N 1 1 287.363 3.385 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2cnc3c(F)cccc3c2)C1 ZINC000877622280 635118293 /nfs/dbraw/zinc/11/82/93/635118293.db2.gz JZZMGCIFWRDWAP-ZDUSSCGKSA-N 1 1 283.350 3.500 20 30 CGEDMO C=CCN1CCC([NH2+][C@H](C)c2ccc(Cl)cc2O)CC1 ZINC000841756871 635230387 /nfs/dbraw/zinc/23/03/87/635230387.db2.gz AVTBVOZXEZBRGY-GFCCVEGCSA-N 1 1 294.826 3.347 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@H](C)[C@H](C)[C@@H]2C)cc1 ZINC000841891095 635248533 /nfs/dbraw/zinc/24/85/33/635248533.db2.gz UMJGVOWNRIQMHS-XGUBFFRZSA-N 1 1 272.392 3.454 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cc(F)ncc1F ZINC000841894510 635250128 /nfs/dbraw/zinc/25/01/28/635250128.db2.gz QOXIAJSPHGKQGW-INIZCTEOSA-N 1 1 299.324 3.399 20 30 CGEDMO COc1cccc2cc(C[NH2+]CC3(C#N)CCC3)oc21 ZINC000841898228 635250283 /nfs/dbraw/zinc/25/02/83/635250283.db2.gz KVHWSUHOPLHKMS-UHFFFAOYSA-N 1 1 270.332 3.225 20 30 CGEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)C1CCCC1)c1ccccc1 ZINC000877925105 635272575 /nfs/dbraw/zinc/27/25/75/635272575.db2.gz QPAFDVDOMCGMOZ-SFHVURJKSA-N 1 1 284.403 3.301 20 30 CGEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)[C@H](C)C(C)C)c1ccccc1 ZINC000877928803 635274879 /nfs/dbraw/zinc/27/48/79/635274879.db2.gz JIGQGBNEMINROC-QAPCUYQASA-N 1 1 286.419 3.403 20 30 CGEDMO CC(=O)[C@@](C#N)(CC[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000877935549 635279156 /nfs/dbraw/zinc/27/91/56/635279156.db2.gz TYRJGGPRNGFPSN-QAPCUYQASA-N 1 1 284.403 3.159 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000877960233 635289286 /nfs/dbraw/zinc/28/92/86/635289286.db2.gz IVXBKITWOQYIDP-CQSZACIVSA-N 1 1 267.376 3.195 20 30 CGEDMO C[N@@H+](C[C@H](O)c1cccc(C#N)c1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000842151964 635296980 /nfs/dbraw/zinc/29/69/80/635296980.db2.gz DWQZVWXRHVASRT-QRVBRYPASA-N 1 1 292.382 3.080 20 30 CGEDMO Cc1cccc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)c1C ZINC000842158407 635300523 /nfs/dbraw/zinc/30/05/23/635300523.db2.gz WRBFFCALCCOJKR-IBGZPJMESA-N 1 1 294.398 3.341 20 30 CGEDMO CC[N@@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)C(C)C ZINC000877982772 635305165 /nfs/dbraw/zinc/30/51/65/635305165.db2.gz AWNZRGCSHKWTPR-KRWDZBQOSA-N 1 1 272.392 3.157 20 30 CGEDMO CC[N@H+](C[C@H](C)C#N)C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000878020743 635323181 /nfs/dbraw/zinc/32/31/81/635323181.db2.gz PSXINIAMBGYZNF-DJIMGWMZSA-N 1 1 272.392 3.388 20 30 CGEDMO CC[N@@H+](C[C@H](C)C#N)C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000878020743 635323185 /nfs/dbraw/zinc/32/31/85/635323185.db2.gz PSXINIAMBGYZNF-DJIMGWMZSA-N 1 1 272.392 3.388 20 30 CGEDMO C[C@H](C#N)C[N@H+](C)CCc1ccccc1Br ZINC000878034148 635331957 /nfs/dbraw/zinc/33/19/57/635331957.db2.gz ABSJMCGSVGYXGP-LLVKDONJSA-N 1 1 281.197 3.083 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C)CCc1ccccc1Br ZINC000878034148 635331963 /nfs/dbraw/zinc/33/19/63/635331963.db2.gz ABSJMCGSVGYXGP-LLVKDONJSA-N 1 1 281.197 3.083 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878120804 635366057 /nfs/dbraw/zinc/36/60/57/635366057.db2.gz BTNPHMSXMXYNJV-KKUMJFAQSA-N 1 1 264.413 3.206 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878120804 635366062 /nfs/dbraw/zinc/36/60/62/635366062.db2.gz BTNPHMSXMXYNJV-KKUMJFAQSA-N 1 1 264.413 3.206 20 30 CGEDMO Cc1cc(C)c(C[N@@H+](CCC#N)CC(C)C)c(C)n1 ZINC000878121569 635366276 /nfs/dbraw/zinc/36/62/76/635366276.db2.gz LSYUEKXOXWEZPA-UHFFFAOYSA-N 1 1 259.397 3.379 20 30 CGEDMO Cc1cc(C)c(C[N@H+](CCC#N)CC(C)C)c(C)n1 ZINC000878121569 635366285 /nfs/dbraw/zinc/36/62/85/635366285.db2.gz LSYUEKXOXWEZPA-UHFFFAOYSA-N 1 1 259.397 3.379 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000878136519 635375359 /nfs/dbraw/zinc/37/53/59/635375359.db2.gz AXDLXJDCDJMGLP-WBVHZDCISA-N 1 1 259.393 3.490 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cn2ccn(C(C)C)c2=S)C1 ZINC000842629157 635421735 /nfs/dbraw/zinc/42/17/35/635421735.db2.gz KHKSQJINXFTXOR-AWEZNQCLSA-N 1 1 277.437 3.293 20 30 CGEDMO CC1(C)C[C@H](C[N@H+]2CCC[C@@](C)(C#N)C2)C(C)(C)O1 ZINC000878406522 635491652 /nfs/dbraw/zinc/49/16/52/635491652.db2.gz XJYXLRQHHHJJKI-CJNGLKHVSA-N 1 1 264.413 3.206 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000878435318 635509015 /nfs/dbraw/zinc/50/90/15/635509015.db2.gz GVLABCFBEXCTFQ-KGLIPLIRSA-N 1 1 253.386 3.005 20 30 CGEDMO C=CC[N@H+](C)C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000878461584 635519008 /nfs/dbraw/zinc/51/90/08/635519008.db2.gz MVNWUDPVTDXUTG-LBPRGKRZSA-N 1 1 260.164 3.145 20 30 CGEDMO C#CCCCCC[N@@H+]1CCCC[C@@H]1c1ccnn1C ZINC000878549552 635553683 /nfs/dbraw/zinc/55/36/83/635553683.db2.gz HPSAXXGJVWCHMV-MRXNPFEDSA-N 1 1 259.397 3.141 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC000878843919 635640607 /nfs/dbraw/zinc/64/06/07/635640607.db2.gz MIOMVSSZPHHCGG-SNVBAGLBSA-N 1 1 257.255 3.144 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)co2)C1 ZINC000878843919 635640612 /nfs/dbraw/zinc/64/06/12/635640612.db2.gz MIOMVSSZPHHCGG-SNVBAGLBSA-N 1 1 257.255 3.144 20 30 CGEDMO C=CC[N@H+](CC[C@@H]1CCCC1(F)F)[C@H](C)COC ZINC000878889556 635651544 /nfs/dbraw/zinc/65/15/44/635651544.db2.gz BOVDHUJCQHRWID-OLZOCXBDSA-N 1 1 261.356 3.335 20 30 CGEDMO C=CC[N@@H+](C[C@@H]1CC(C)(C)OC1(C)C)[C@H](C)COC ZINC000878889622 635651551 /nfs/dbraw/zinc/65/15/51/635651551.db2.gz DEQALRSSSXCIPZ-KGLIPLIRSA-N 1 1 269.429 3.103 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cccc(OCC)c2)C1 ZINC000843423254 635666390 /nfs/dbraw/zinc/66/63/90/635666390.db2.gz AWJKBXKRTIGLEZ-OAHLLOKOSA-N 1 1 257.377 3.321 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000843424462 635668628 /nfs/dbraw/zinc/66/86/28/635668628.db2.gz UWYQWVPLTKTAHJ-HNNXBMFYSA-N 1 1 264.372 3.470 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000843424641 635669955 /nfs/dbraw/zinc/66/99/55/635669955.db2.gz XYZHGFZPOFMCEX-MRXNPFEDSA-N 1 1 293.414 3.322 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H]1[C@H](O)c1ccccc1 ZINC000879239556 635731489 /nfs/dbraw/zinc/73/14/89/635731489.db2.gz CWCCSHDMFIAYTJ-RTBURBONSA-N 1 1 292.382 3.256 20 30 CGEDMO C#CCCC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)CCCO ZINC000879287457 635747032 /nfs/dbraw/zinc/74/70/32/635747032.db2.gz IPAGEHTYVDLJLH-INIZCTEOSA-N 1 1 289.419 3.072 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)c1F ZINC000879530240 635805188 /nfs/dbraw/zinc/80/51/88/635805188.db2.gz QJVITTYKARGADK-OKILXGFUSA-N 1 1 256.324 3.095 20 30 CGEDMO CCCCCCCC[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC000879592015 635817442 /nfs/dbraw/zinc/81/74/42/635817442.db2.gz CEGNWNVTRYRBGW-UHFFFAOYSA-N 1 1 295.515 3.059 20 30 CGEDMO Cc1cncc([C@@H]2CCC[N@H+]2CCCSCC#N)c1 ZINC000879748532 635851461 /nfs/dbraw/zinc/85/14/61/635851461.db2.gz FQBTYDSQRITOGA-HNNXBMFYSA-N 1 1 275.421 3.174 20 30 CGEDMO C#CC[C@H]([NH2+]Cc1cc2n(n1)CCCC2)c1ccccc1 ZINC000844313392 635866544 /nfs/dbraw/zinc/86/65/44/635866544.db2.gz QZPUFFRHYGBUML-SFHVURJKSA-N 1 1 279.387 3.074 20 30 CGEDMO C#CC[C@@H]([NH2+]Cc1cc2n(n1)CCCC2)c1ccccc1 ZINC000844313391 635866802 /nfs/dbraw/zinc/86/68/02/635866802.db2.gz QZPUFFRHYGBUML-GOSISDBHSA-N 1 1 279.387 3.074 20 30 CGEDMO C[N@@H+](C[C@@H](O)c1cccc(C#N)c1)CC12CCC(CC1)C2 ZINC000844372060 635883802 /nfs/dbraw/zinc/88/38/02/635883802.db2.gz UNOIETMGLUWXTA-ZCDVPAHGSA-N 1 1 284.403 3.104 20 30 CGEDMO C=CC[C@@H](C)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879952167 635887259 /nfs/dbraw/zinc/88/72/59/635887259.db2.gz UESRVJWNJKVLRG-OAHLLOKOSA-N 1 1 250.430 3.291 20 30 CGEDMO C#Cc1cccc(N(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C(C)C)c1 ZINC000888795568 635892019 /nfs/dbraw/zinc/89/20/19/635892019.db2.gz NLAQIBZITHFYMH-RDJZCZTQSA-N 1 1 298.430 3.140 20 30 CGEDMO N#Cc1ccc(OCCC[N@@H+]2CC[C@]3(CC3(F)F)C2)cc1 ZINC000844472370 635913092 /nfs/dbraw/zinc/91/30/92/635913092.db2.gz XGSWLSKAMFAIEH-HNNXBMFYSA-N 1 1 292.329 3.058 20 30 CGEDMO C=CCCn1cc(C[N@H+]2CCC[C@@]2(C)c2ccccc2)nn1 ZINC000880371136 635983724 /nfs/dbraw/zinc/98/37/24/635983724.db2.gz AXZNJNDHHCNXPB-SFHVURJKSA-N 1 1 296.418 3.365 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CCC[C@@]2(C)c2ccccc2)nn1 ZINC000880371136 635983728 /nfs/dbraw/zinc/98/37/28/635983728.db2.gz AXZNJNDHHCNXPB-SFHVURJKSA-N 1 1 296.418 3.365 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCCSC[C@@H]1c1ccccc1 ZINC000880388370 635991039 /nfs/dbraw/zinc/99/10/39/635991039.db2.gz QHFBLPUTGBMWKI-IAGOWNOFSA-N 1 1 291.460 3.494 20 30 CGEDMO CC[N@@H+](CC#Cc1ccccc1)[C@@H](CO)c1ccccc1 ZINC000880460915 636004762 /nfs/dbraw/zinc/00/47/62/636004762.db2.gz ALMDATGJEBPIKH-IBGZPJMESA-N 1 1 279.383 3.094 20 30 CGEDMO Cc1cc(C[NH2+]CC2(C#N)CCCC2)cc(Cl)n1 ZINC000846011721 636128943 /nfs/dbraw/zinc/12/89/43/636128943.db2.gz YFCYQTUQYBOOLV-UHFFFAOYSA-N 1 1 263.772 3.217 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000846110138 636145108 /nfs/dbraw/zinc/14/51/08/636145108.db2.gz ZJVVFEARBJXINS-MRXNPFEDSA-N 1 1 291.341 3.320 20 30 CGEDMO Cc1cc(C#N)ccc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000846747385 636221739 /nfs/dbraw/zinc/22/17/39/636221739.db2.gz HBSOSFZPCGJLAM-UHFFFAOYSA-N 1 1 283.419 3.321 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OCc2ccccc2)nc1)C1CC1 ZINC000846857777 636261983 /nfs/dbraw/zinc/26/19/83/636261983.db2.gz WWCZZMUOQPMVHY-UHFFFAOYSA-N 1 1 292.382 3.258 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(OCc2ccccc2)nc1)C1CC1 ZINC000846857777 636261987 /nfs/dbraw/zinc/26/19/87/636261987.db2.gz WWCZZMUOQPMVHY-UHFFFAOYSA-N 1 1 292.382 3.258 20 30 CGEDMO C#C[C@H]([NH2+]Cc1cc(C(C)C)ccc1OC)[C@@H]1CCCO1 ZINC000846862655 636264847 /nfs/dbraw/zinc/26/48/47/636264847.db2.gz WMVHBTBCWLYBBI-WMZOPIPTSA-N 1 1 287.403 3.089 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCCCC[C@@H]2CO)cc1 ZINC000847018205 636311759 /nfs/dbraw/zinc/31/17/59/636311759.db2.gz XAGBSUHMXFRENA-QGZVFWFLSA-N 1 1 286.419 3.225 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cccc(OC(C)(C)C)n2)C1 ZINC000847022342 636313664 /nfs/dbraw/zinc/31/36/64/636313664.db2.gz ULXXVRWBMKYBLA-AWEZNQCLSA-N 1 1 272.392 3.104 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccn(C(CC)CC)n2)C1 ZINC000847022463 636314110 /nfs/dbraw/zinc/31/41/10/636314110.db2.gz UMVKTNMWCIZPPV-CQSZACIVSA-N 1 1 259.397 3.089 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccn(C(CC)CC)n2)C1 ZINC000847022463 636314113 /nfs/dbraw/zinc/31/41/13/636314113.db2.gz UMVKTNMWCIZPPV-CQSZACIVSA-N 1 1 259.397 3.089 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(OC)cc2Cl)C1 ZINC000847023144 636315034 /nfs/dbraw/zinc/31/50/34/636315034.db2.gz ZFSHUXVCPHCESS-LBPRGKRZSA-N 1 1 263.768 3.194 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000847026605 636316681 /nfs/dbraw/zinc/31/66/81/636316681.db2.gz QDNIQDOEWQHNSY-QWHCGFSZSA-N 1 1 258.321 3.001 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000847025705 636316739 /nfs/dbraw/zinc/31/67/39/636316739.db2.gz OJOMAFZYPPTCDF-GFCCVEGCSA-N 1 1 265.303 3.133 20 30 CGEDMO Cc1ccc(N=NC2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000848398780 636566799 /nfs/dbraw/zinc/56/67/99/636566799.db2.gz FFUHSVQMRIOZDL-INIZCTEOSA-N 1 1 257.381 3.411 20 30 CGEDMO Cc1cc(C[N@H+](C)Cc2ccc(C#N)cc2)c(C)o1 ZINC000131190210 636573944 /nfs/dbraw/zinc/57/39/44/636573944.db2.gz KJMXQWBQZQDYTB-UHFFFAOYSA-N 1 1 254.333 3.400 20 30 CGEDMO C=CC[N@@H+](Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)C1CC1 ZINC000848483868 636580620 /nfs/dbraw/zinc/58/06/20/636580620.db2.gz TUKZNZSQYJDXAN-UHFFFAOYSA-N 1 1 298.346 3.066 20 30 CGEDMO C=CC[N@H+](Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)C1CC1 ZINC000848483868 636580626 /nfs/dbraw/zinc/58/06/26/636580626.db2.gz TUKZNZSQYJDXAN-UHFFFAOYSA-N 1 1 298.346 3.066 20 30 CGEDMO C=CCC[C@H](Cc1ccccc1)[NH2+]Cc1cn[nH]c1C ZINC000883205188 636584496 /nfs/dbraw/zinc/58/44/96/636584496.db2.gz QTVHWHVCBBNNBP-QGZVFWFLSA-N 1 1 269.392 3.385 20 30 CGEDMO N#CCCCC[C@@H]([NH3+])c1nc(-c2ccc3cc[nH]c3c2)no1 ZINC000848620223 636620283 /nfs/dbraw/zinc/62/02/83/636620283.db2.gz AESMWHWWIRKZBQ-CYBMUJFWSA-N 1 1 295.346 3.302 20 30 CGEDMO CCC1(c2noc([C@H]([NH3+])CCCCC#N)n2)CCCC1 ZINC000848629030 636624477 /nfs/dbraw/zinc/62/44/77/636624477.db2.gz VMQLRJCFDHDLFW-GFCCVEGCSA-N 1 1 276.384 3.375 20 30 CGEDMO Cc1ccc(Cc2noc([C@H]([NH3+])CCCCC#N)n2)s1 ZINC000848632388 636625226 /nfs/dbraw/zinc/62/52/26/636625226.db2.gz RGWQZFMCNPMMHS-GFCCVEGCSA-N 1 1 290.392 3.114 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(C)cc2)C1 ZINC000848923137 636694051 /nfs/dbraw/zinc/69/40/51/636694051.db2.gz GXJCLXFSTMDZCC-HNNXBMFYSA-N 1 1 279.387 3.230 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2C)C1 ZINC000848923300 636694407 /nfs/dbraw/zinc/69/44/07/636694407.db2.gz IMBMBYXOUZZQQX-INIZCTEOSA-N 1 1 279.387 3.026 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2sc3nc(C)nc(C)c3c2C)C1 ZINC000848923726 636696134 /nfs/dbraw/zinc/69/61/34/636696134.db2.gz PJNYIQPCRVOMRF-AWEZNQCLSA-N 1 1 299.443 3.462 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)CC1 ZINC000930178752 636889654 /nfs/dbraw/zinc/88/96/54/636889654.db2.gz HVUFXNKCWGQBLG-HIEASXQVSA-N 1 1 290.451 3.455 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)C[C@H]1C[C@]12CCOC2 ZINC000885967398 637336428 /nfs/dbraw/zinc/33/64/28/637336428.db2.gz NUEVXUZUNVWRHH-MSOLQXFVSA-N 1 1 271.404 3.144 20 30 CGEDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886012400 637361552 /nfs/dbraw/zinc/36/15/52/637361552.db2.gz GRGAWHJSYYFJEI-KBAYOESNSA-N 1 1 298.430 3.309 20 30 CGEDMO C[C@@H](c1ccco1)[N@@H+](C[C@@H](O)CC1(C#N)CCC1)C1CC1 ZINC000886077381 637401421 /nfs/dbraw/zinc/40/14/21/637401421.db2.gz YTGMAZPWHNEUTB-ZFWWWQNUSA-N 1 1 288.391 3.250 20 30 CGEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@H](c3ccccc3)C2)CCC1 ZINC000886215397 637460815 /nfs/dbraw/zinc/46/08/15/637460815.db2.gz JRJDJAULDAUXMA-ROUUACIJSA-N 1 1 298.430 3.311 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H]1CCC(=O)O1 ZINC000851713163 637470766 /nfs/dbraw/zinc/47/07/66/637470766.db2.gz BKVAPGSIGBDXEP-JTQLQIEISA-N 1 1 285.796 3.095 20 30 CGEDMO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@@H]1CCC(=O)O1 ZINC000851713163 637470769 /nfs/dbraw/zinc/47/07/69/637470769.db2.gz BKVAPGSIGBDXEP-JTQLQIEISA-N 1 1 285.796 3.095 20 30 CGEDMO C/C=C/C[C@@H]1CCC[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886303836 637491469 /nfs/dbraw/zinc/49/14/69/637491469.db2.gz HHHMUOLSNKPIHY-REUDQUMMSA-N 1 1 276.424 3.109 20 30 CGEDMO C#CC[C@H]1CC[N@H+]([C@@H](C)c2nnc(-c3ccc(C)cc3)o2)C1 ZINC000886353183 637509696 /nfs/dbraw/zinc/50/96/96/637509696.db2.gz CZZFCNDJQGKYBI-GJZGRUSLSA-N 1 1 295.386 3.451 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000886354232 637509899 /nfs/dbraw/zinc/50/98/99/637509899.db2.gz YKKGSOGUDIPKCL-ZDUSSCGKSA-N 1 1 284.334 3.326 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2nc(-c3ccc(CC)cc3)no2)C1 ZINC000886353883 637510031 /nfs/dbraw/zinc/51/00/31/637510031.db2.gz RQBDBDCPAWTLTR-OAHLLOKOSA-N 1 1 295.386 3.144 20 30 CGEDMO C#CC[C@H]1CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000886354003 637510172 /nfs/dbraw/zinc/51/01/72/637510172.db2.gz UHMQLFHCKDVCBI-STQMWFEESA-N 1 1 258.321 3.001 20 30 CGEDMO C#CC[C@@H]1CC[N@H+]([C@@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000886355514 637510941 /nfs/dbraw/zinc/51/09/41/637510941.db2.gz JQSGDYGLRSZFGG-UONOGXRCSA-N 1 1 281.359 3.143 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000886357967 637512445 /nfs/dbraw/zinc/51/24/45/637512445.db2.gz NMTMABOQFMDPNL-GFCCVEGCSA-N 1 1 272.373 3.248 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ncc(-c3ccc(C)cc3)o2)C1 ZINC000886357933 637513153 /nfs/dbraw/zinc/51/31/53/637513153.db2.gz NGMVYPBUOSSXDE-HNNXBMFYSA-N 1 1 280.371 3.495 20 30 CGEDMO C#CC[C@@H]1CC[N@H+]([C@H](CCOC)c2ccccc2)C1 ZINC000886363052 637514203 /nfs/dbraw/zinc/51/42/03/637514203.db2.gz YQRUAIFINYRNQA-NVXWUHKLSA-N 1 1 257.377 3.109 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2nc3cc(C)ccc3s2)C1 ZINC000886366038 637515315 /nfs/dbraw/zinc/51/53/15/637515315.db2.gz VTPGLYQCLPCWPV-CYBMUJFWSA-N 1 1 270.401 3.450 20 30 CGEDMO CC[N@@H+](CCCCC#N)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000886412392 637526213 /nfs/dbraw/zinc/52/62/13/637526213.db2.gz FUPCZXLPNAQENK-AWEZNQCLSA-N 1 1 295.427 3.012 20 30 CGEDMO Cc1ccccc1[C@@H](CO)[N@@H+](C)CCCC(C)(C)C#N ZINC000886433922 637531379 /nfs/dbraw/zinc/53/13/79/637531379.db2.gz WZXPETJIALEVJQ-MRXNPFEDSA-N 1 1 274.408 3.290 20 30 CGEDMO C#CCC[N@H+](C)[C@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000852126940 637602161 /nfs/dbraw/zinc/60/21/61/637602161.db2.gz KCMGHHHFQGWMMC-SNVBAGLBSA-N 1 1 261.756 3.232 20 30 CGEDMO C#CCCN(C)[C@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000852126940 637602164 /nfs/dbraw/zinc/60/21/64/637602164.db2.gz KCMGHHHFQGWMMC-SNVBAGLBSA-N 1 1 261.756 3.232 20 30 CGEDMO C#C[C@H]1CCC[N@H+](CCSc2cccc(OC)c2)C1 ZINC000852215703 637618916 /nfs/dbraw/zinc/61/89/16/637618916.db2.gz MYFQQYUHWSAOMU-AWEZNQCLSA-N 1 1 275.417 3.133 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(CF)cc1)[C@@H](C)COC ZINC000852356647 637641675 /nfs/dbraw/zinc/64/16/75/637641675.db2.gz KPCZUWQRBXHNLQ-ZDUSSCGKSA-N 1 1 251.345 3.179 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2c(C)nn(C)c2Cl)C1 ZINC000852410366 637647921 /nfs/dbraw/zinc/64/79/21/637647921.db2.gz LJNZPDTXTIXIJF-LBPRGKRZSA-N 1 1 267.804 3.170 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000852427321 637653358 /nfs/dbraw/zinc/65/33/58/637653358.db2.gz WJCGDDJQIGUQIR-UKRRQHHQSA-N 1 1 274.364 3.125 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000852427321 637653364 /nfs/dbraw/zinc/65/33/64/637653364.db2.gz WJCGDDJQIGUQIR-UKRRQHHQSA-N 1 1 274.364 3.125 20 30 CGEDMO Cc1csc(C[C@H]2CCC[N@H+]([C@@H](C)CCC#N)C2)n1 ZINC000886691569 637655659 /nfs/dbraw/zinc/65/56/59/637655659.db2.gz HGELXPZNZLVGLE-UONOGXRCSA-N 1 1 277.437 3.398 20 30 CGEDMO Cc1csc(C[C@@H]2CCC[N@H+]([C@H]3CC[C@@H](C#N)C3)C2)n1 ZINC000886692157 637655956 /nfs/dbraw/zinc/65/59/56/637655956.db2.gz SVHKOUXMFCWJTQ-ILXRZTDVSA-N 1 1 289.448 3.398 20 30 CGEDMO C=CC[N@@H+](C[C@H](O)c1ccccc1F)C(C)(C)C ZINC000852552951 637677040 /nfs/dbraw/zinc/67/70/40/637677040.db2.gz IVMMSQPXROZTPC-AWEZNQCLSA-N 1 1 251.345 3.146 20 30 CGEDMO C#CCC[N@H+](CCOC)CC1CCC(C(F)(F)F)CC1 ZINC000852748779 637704856 /nfs/dbraw/zinc/70/48/56/637704856.db2.gz GXFDRJUWPNQVME-UHFFFAOYSA-N 1 1 291.357 3.327 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1ccc(C(C)C)nc1CC ZINC000852748934 637704986 /nfs/dbraw/zinc/70/49/86/637704986.db2.gz LSBQIBYGLOMQQD-UHFFFAOYSA-N 1 1 288.435 3.239 20 30 CGEDMO C#CCC[N@@H+](CCOC)CCSC1CCCCC1 ZINC000852749407 637705874 /nfs/dbraw/zinc/70/58/74/637705874.db2.gz XBUFCJMCYUJPLB-UHFFFAOYSA-N 1 1 269.454 3.024 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2Cc3ccccc3OC3(CCC3)C2)C1 ZINC000887150124 637764164 /nfs/dbraw/zinc/76/41/64/637764164.db2.gz YBCRDNDHTOZZIX-ZBFHGGJFSA-N 1 1 282.387 3.496 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cn2ncc(Cl)c2C)C1 ZINC000853536398 637863669 /nfs/dbraw/zinc/86/36/69/637863669.db2.gz BYBZWURLELDTJM-LBPRGKRZSA-N 1 1 253.777 3.091 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cn2ncc(Cl)c2C)C1 ZINC000853536398 637863671 /nfs/dbraw/zinc/86/36/71/637863671.db2.gz BYBZWURLELDTJM-LBPRGKRZSA-N 1 1 253.777 3.091 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cn2ccc(-c3nccs3)n2)C1 ZINC000853537056 637864405 /nfs/dbraw/zinc/86/44/05/637864405.db2.gz NROZXNUVYYVFDZ-ZDUSSCGKSA-N 1 1 288.420 3.252 20 30 CGEDMO C=CCc1cc(OCC)cc(C[N@H+]2CC[C@H]3C[C@H]3C2)c1O ZINC000853581226 637870590 /nfs/dbraw/zinc/87/05/90/637870590.db2.gz SHFGVQSJFFYYNG-ZFWWWQNUSA-N 1 1 287.403 3.361 20 30 CGEDMO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CC[C@](C)(C#N)C2)c1 ZINC000853598519 637871202 /nfs/dbraw/zinc/87/12/02/637871202.db2.gz CAIQSMZDYGQHOQ-QGZVFWFLSA-N 1 1 288.391 3.131 20 30 CGEDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC000853598519 637871207 /nfs/dbraw/zinc/87/12/07/637871207.db2.gz CAIQSMZDYGQHOQ-QGZVFWFLSA-N 1 1 288.391 3.131 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000853599916 637871462 /nfs/dbraw/zinc/87/14/62/637871462.db2.gz YJTXZTCSWKFFJX-OKILXGFUSA-N 1 1 298.346 3.085 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1C[C@@H](C2CCCC2)CC1=O ZINC000853597593 637871841 /nfs/dbraw/zinc/87/18/41/637871841.db2.gz BYXNWESRTFHDDA-YESZJQIVSA-N 1 1 288.435 3.166 20 30 CGEDMO Cc1ccc(C[N@@H+](CCO)CCCCC2(C#N)CCC2)o1 ZINC000930294603 638272610 /nfs/dbraw/zinc/27/26/10/638272610.db2.gz BSIDPQMOMFOIQM-UHFFFAOYSA-N 1 1 290.407 3.247 20 30 CGEDMO C#CC[NH2+][C@H](C)c1ccc(C(F)(F)F)nc1Cl ZINC000856781645 638388096 /nfs/dbraw/zinc/38/80/96/638388096.db2.gz UZMFBAQDUZUGCM-SSDOTTSWSA-N 1 1 262.662 3.038 20 30 CGEDMO C=C[C@H](C)[NH2+][C@H](C)c1nc(Br)ccc1F ZINC000925263165 638483591 /nfs/dbraw/zinc/48/35/91/638483591.db2.gz PUCJEGMTJKYAMX-JGVFFNPUSA-N 1 1 273.149 3.208 20 30 CGEDMO C#C[C@H]([NH2+][C@@H](C)c1cc(-c2ccccc2)no1)[C@H]1CCCO1 ZINC000926210891 638741975 /nfs/dbraw/zinc/74/19/75/638741975.db2.gz QRHDXPGLUJMNPH-JLJPHGGASA-N 1 1 296.370 3.173 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@H]2CCCc3c(Cl)ccnc32)nc1 ZINC000926229372 638747101 /nfs/dbraw/zinc/74/71/01/638747101.db2.gz VVXIMTHAGZNYEM-HNNXBMFYSA-N 1 1 298.777 3.169 20 30 CGEDMO CCC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(CCC#N)cc2)C1 ZINC000928399115 638880382 /nfs/dbraw/zinc/88/03/82/638880382.db2.gz JPEFSJBMHJMGED-MRXNPFEDSA-N 1 1 299.418 3.203 20 30 CGEDMO C=CC[N@H+](CCCCCNC(C)=O)Cc1cccs1 ZINC000929141504 638902376 /nfs/dbraw/zinc/90/23/76/638902376.db2.gz QWBOOQOJPCTAHP-UHFFFAOYSA-N 1 1 280.437 3.043 20 30 CGEDMO COc1ccc([C@H]2CCC[N@@H+]2Cc2cncc(C#N)c2)cc1 ZINC000929220626 638909784 /nfs/dbraw/zinc/90/97/84/638909784.db2.gz YIYRBDHBDARGGE-GOSISDBHSA-N 1 1 293.370 3.299 20 30 CGEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2cncc(C#N)c2)cc1 ZINC000929220626 638909785 /nfs/dbraw/zinc/90/97/85/638909785.db2.gz YIYRBDHBDARGGE-GOSISDBHSA-N 1 1 293.370 3.299 20 30 CGEDMO N#CC1(CCCC[N@@H+](C[C@@H]2CCOC2)C2CC2)CCC1 ZINC000929266597 638913419 /nfs/dbraw/zinc/91/34/19/638913419.db2.gz RZAKGJMTJXRREH-HNNXBMFYSA-N 1 1 276.424 3.351 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCCC[C@H]2C2OCCO2)CCC1 ZINC000929503448 638928887 /nfs/dbraw/zinc/92/88/87/638928887.db2.gz HHJKXTIUAUXPNF-HNNXBMFYSA-N 1 1 292.423 3.078 20 30 CGEDMO Cc1ccc([C@H]2COCC[N@@H+]2CC2CCC(C#N)CC2)o1 ZINC000929666799 638939025 /nfs/dbraw/zinc/93/90/25/638939025.db2.gz NPDMYRGMFJHPFE-UYSNPLJNSA-N 1 1 288.391 3.291 20 30 CGEDMO Cc1ccc([C@H]2COCC[N@H+]2CC2CCC(C#N)CC2)o1 ZINC000929666799 638939027 /nfs/dbraw/zinc/93/90/27/638939027.db2.gz NPDMYRGMFJHPFE-UYSNPLJNSA-N 1 1 288.391 3.291 20 30 CGEDMO CCO[C@@H]1CCC[N@@H+](Cc2c(C)cc(C#N)cc2C)C1 ZINC000929677561 638940239 /nfs/dbraw/zinc/94/02/39/638940239.db2.gz CGIKYVRTBFIBPU-MRXNPFEDSA-N 1 1 272.392 3.176 20 30 CGEDMO C[C@H](c1ccccc1)[N@@H+](C[C@H](O)CC#N)CC1CCC1 ZINC000929699351 638942426 /nfs/dbraw/zinc/94/24/26/638942426.db2.gz LUPSITXJTQOGJT-RHSMWYFYSA-N 1 1 272.392 3.124 20 30 CGEDMO Cc1cccc([C@@H]2CCCC[N@H+]2C[C@H](O)CC#N)c1C ZINC000929750715 638946999 /nfs/dbraw/zinc/94/69/99/638946999.db2.gz UTWPNMAIWXHGNX-WBVHZDCISA-N 1 1 272.392 3.105 20 30 CGEDMO CCOC[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000929777141 638949783 /nfs/dbraw/zinc/94/97/83/638949783.db2.gz ARTMWHGQEUECDF-LBPRGKRZSA-N 1 1 278.783 3.070 20 30 CGEDMO C[N@H+](Cc1cccc(O)c1)CC1CCC(C#N)CC1 ZINC000929779275 638950679 /nfs/dbraw/zinc/95/06/79/638950679.db2.gz YIWZOBYPTHCXQN-UHFFFAOYSA-N 1 1 258.365 3.154 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000929782310 638951049 /nfs/dbraw/zinc/95/10/49/638951049.db2.gz LRCPZXMQOTXAFP-RDJZCZTQSA-N 1 1 285.435 3.090 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000929782310 638951059 /nfs/dbraw/zinc/95/10/59/638951059.db2.gz LRCPZXMQOTXAFP-RDJZCZTQSA-N 1 1 285.435 3.090 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000929782310 638951062 /nfs/dbraw/zinc/95/10/62/638951062.db2.gz LRCPZXMQOTXAFP-RDJZCZTQSA-N 1 1 285.435 3.090 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000929781704 638951295 /nfs/dbraw/zinc/95/12/95/638951295.db2.gz VFXKLYJYPRYAED-OLZOCXBDSA-N 1 1 292.345 3.358 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000929781704 638951297 /nfs/dbraw/zinc/95/12/97/638951297.db2.gz VFXKLYJYPRYAED-OLZOCXBDSA-N 1 1 292.345 3.358 20 30 CGEDMO C[N@H+](CCC#N)C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000929808894 638953180 /nfs/dbraw/zinc/95/31/80/638953180.db2.gz LMXMHNZCKKJBSL-GXTWGEPZSA-N 1 1 298.308 3.014 20 30 CGEDMO C[N@@H+](CCC#N)C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000929808894 638953181 /nfs/dbraw/zinc/95/31/81/638953181.db2.gz LMXMHNZCKKJBSL-GXTWGEPZSA-N 1 1 298.308 3.014 20 30 CGEDMO C[N@@H+](CCOCC1CC1)Cc1cc(Cl)cc(C#N)c1 ZINC000929826723 638954821 /nfs/dbraw/zinc/95/48/21/638954821.db2.gz VIDCOHYPSLWNFD-UHFFFAOYSA-N 1 1 278.783 3.070 20 30 CGEDMO N#CC1(CCCC[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)CCC1 ZINC000930071750 638972467 /nfs/dbraw/zinc/97/24/67/638972467.db2.gz KVWBFVYHNJJPKY-JKSUJKDBSA-N 1 1 276.424 3.209 20 30 CGEDMO C[N@@H+](CCCCC1(C#N)CCC1)CCc1ccncc1 ZINC000930158664 638978239 /nfs/dbraw/zinc/97/82/39/638978239.db2.gz NLHZTXRNMVKVQM-UHFFFAOYSA-N 1 1 271.408 3.420 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN1CCC2(CCC[N@@H+]2C)CC1 ZINC000930170653 638978783 /nfs/dbraw/zinc/97/87/83/638978783.db2.gz CLFLDRBYGVLITC-UHFFFAOYSA-N 1 1 297.446 3.235 20 30 CGEDMO CC1(C)c2ccccc2CC[N@@H+]1Cc1cncc(C#N)c1 ZINC000930183170 638980754 /nfs/dbraw/zinc/98/07/54/638980754.db2.gz SLFKLSBCUCIYFS-UHFFFAOYSA-N 1 1 277.371 3.247 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)c1 ZINC000930365602 638993035 /nfs/dbraw/zinc/99/30/35/638993035.db2.gz QUHKLXNPDAMDLX-JKSUJKDBSA-N 1 1 290.794 3.355 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@@]3(C2)CCCOC3)c1 ZINC000930377380 638993985 /nfs/dbraw/zinc/99/39/85/638993985.db2.gz SUIZOCXBGHQMOM-MRXNPFEDSA-N 1 1 290.794 3.214 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000930461384 639004349 /nfs/dbraw/zinc/00/43/49/639004349.db2.gz VVKIEVNKFXCDEY-JWTNVVGKSA-N 1 1 297.446 3.232 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000930461384 639004353 /nfs/dbraw/zinc/00/43/53/639004353.db2.gz VVKIEVNKFXCDEY-JWTNVVGKSA-N 1 1 297.446 3.232 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000930461384 639004357 /nfs/dbraw/zinc/00/43/57/639004357.db2.gz VVKIEVNKFXCDEY-JWTNVVGKSA-N 1 1 297.446 3.232 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C ZINC000930461384 639004362 /nfs/dbraw/zinc/00/43/62/639004362.db2.gz VVKIEVNKFXCDEY-JWTNVVGKSA-N 1 1 297.446 3.232 20 30 CGEDMO CCC[C@]1(CO)CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000930506035 639013556 /nfs/dbraw/zinc/01/35/56/639013556.db2.gz ZQBVCZLJRUCIIX-INIZCTEOSA-N 1 1 292.810 3.196 20 30 CGEDMO C#CCCCCCC[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000930517477 639017486 /nfs/dbraw/zinc/01/74/86/639017486.db2.gz WTTXIFPCPJRWLZ-KRWDZBQOSA-N 1 1 256.393 3.455 20 30 CGEDMO Cc1ccc(C[N@@H+](C)CC2CCC(C#N)CC2)nc1 ZINC000930614810 639038338 /nfs/dbraw/zinc/03/83/38/639038338.db2.gz MZOROFKLFOLZIX-UHFFFAOYSA-N 1 1 257.381 3.152 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2c(C)cc(C#N)cc2C)CC1(C)C ZINC000930640016 639044122 /nfs/dbraw/zinc/04/41/22/639044122.db2.gz SZQMJNFWVAHTBJ-KRWDZBQOSA-N 1 1 286.419 3.422 20 30 CGEDMO CC1(C)CC[N@@H+](CCCCC2(C#N)CCC2)CC[S@]1=O ZINC000930648501 639045369 /nfs/dbraw/zinc/04/53/69/639045369.db2.gz KOPDCZLWARTSNH-HXUWFJFHSA-N 1 1 296.480 3.084 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2coc(C(C)(C)C)n2)C1 ZINC000930817871 639071004 /nfs/dbraw/zinc/07/10/04/639071004.db2.gz ZLONSTNIKUIIDE-CYBMUJFWSA-N 1 1 260.381 3.207 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2coc(C(C)(C)C)n2)C1 ZINC000930817871 639071008 /nfs/dbraw/zinc/07/10/08/639071008.db2.gz ZLONSTNIKUIIDE-CYBMUJFWSA-N 1 1 260.381 3.207 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](C[C@@H]2CCCC3(CCC3)O2)C1 ZINC000930815474 639071227 /nfs/dbraw/zinc/07/12/27/639071227.db2.gz CWLANILGICSIFD-HOTGVXAUSA-N 1 1 261.409 3.214 20 30 CGEDMO C[C@]1(Cc2cccc(Cl)c2)CCC[N@H+]1C[C@H](O)CC#N ZINC000930850493 639076447 /nfs/dbraw/zinc/07/64/47/639076447.db2.gz SCVARCAGTCKNQH-HZPDHXFCSA-N 1 1 292.810 3.012 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1CF)[C@@H](C)COC ZINC000930932729 639088089 /nfs/dbraw/zinc/08/80/89/639088089.db2.gz MVKMBKZYVQZIHI-ZDUSSCGKSA-N 1 1 251.345 3.179 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCCC3(CCCC3)CC2)c1 ZINC000930930819 639088190 /nfs/dbraw/zinc/08/81/90/639088190.db2.gz MRSULDJIAGGDEO-UHFFFAOYSA-N 1 1 269.392 3.500 20 30 CGEDMO C=CC1(CC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)CCCCC1 ZINC000930943997 639090125 /nfs/dbraw/zinc/09/01/25/639090125.db2.gz CECFWOCEBWXFHS-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](C[C@H]2CCC3(CCCCCC3)O2)C1 ZINC000931062916 639105684 /nfs/dbraw/zinc/10/56/84/639105684.db2.gz NEMACHGXATUVNC-CVEARBPZSA-N 1 1 276.424 3.494 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](C[C@H]2CCC3(CCCCCC3)O2)C1 ZINC000931062916 639105690 /nfs/dbraw/zinc/10/56/90/639105690.db2.gz NEMACHGXATUVNC-CVEARBPZSA-N 1 1 276.424 3.494 20 30 CGEDMO CCOC(C[N@@H+](CC)Cc1ccc(C)c(C#N)c1)OCC ZINC000859326247 639129610 /nfs/dbraw/zinc/12/96/10/639129610.db2.gz IGVNAUWZYDPGQK-UHFFFAOYSA-N 1 1 290.407 3.088 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000859396159 639134745 /nfs/dbraw/zinc/13/47/45/639134745.db2.gz LARLESSGLULBJW-UHFFFAOYSA-N 1 1 269.747 3.421 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000859443350 639141885 /nfs/dbraw/zinc/14/18/85/639141885.db2.gz DTSSKNWMRKPQTE-MRXNPFEDSA-N 1 1 298.430 3.321 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]([C@H]2CCCN(Cc3ccccc3)C2=O)C1 ZINC000859445718 639142782 /nfs/dbraw/zinc/14/27/82/639142782.db2.gz OAECDWUJRLFCRC-AEFFLSMTSA-N 1 1 298.430 3.076 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cc(=O)oc3cc(C)ccc23)C1 ZINC000859445986 639143110 /nfs/dbraw/zinc/14/31/10/639143110.db2.gz XSXWRKNGOTXKQR-AWEZNQCLSA-N 1 1 283.371 3.499 20 30 CGEDMO C=CCCC[N@@H+]1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1 ZINC000931387183 639144306 /nfs/dbraw/zinc/14/43/06/639144306.db2.gz CGUKUROJNTVFLR-QGZVFWFLSA-N 1 1 285.366 3.463 20 30 CGEDMO C=CCCC[N@H+]1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1 ZINC000931387183 639144310 /nfs/dbraw/zinc/14/43/10/639144310.db2.gz CGUKUROJNTVFLR-QGZVFWFLSA-N 1 1 285.366 3.463 20 30 CGEDMO N#Cc1ccc(OCCC[N@H+]2Cc3ccc(O)cc3C2)cc1 ZINC000859475488 639148629 /nfs/dbraw/zinc/14/86/29/639148629.db2.gz GUJIAZXYHICCGP-UHFFFAOYSA-N 1 1 294.354 3.049 20 30 CGEDMO N#Cc1ccc(OCCC[N@@H+]2Cc3ccc(O)cc3C2)cc1 ZINC000859475488 639148635 /nfs/dbraw/zinc/14/86/35/639148635.db2.gz GUJIAZXYHICCGP-UHFFFAOYSA-N 1 1 294.354 3.049 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000859609854 639173450 /nfs/dbraw/zinc/17/34/50/639173450.db2.gz CDNIUCFEGUZGHL-ZYHUDNBSSA-N 1 1 273.804 3.039 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000859609854 639173452 /nfs/dbraw/zinc/17/34/52/639173452.db2.gz CDNIUCFEGUZGHL-ZYHUDNBSSA-N 1 1 273.804 3.039 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CF)C2)c1 ZINC000931683549 639187420 /nfs/dbraw/zinc/18/74/20/639187420.db2.gz VYZKXVFPZPVXFH-LLVKDONJSA-N 1 1 266.747 3.393 20 30 CGEDMO CC[C@]1(CCc2ccccc2)CCC[N@H+]1C[C@H](O)CC#N ZINC000931694331 639190827 /nfs/dbraw/zinc/19/08/27/639190827.db2.gz JQKGLBFLULNKCG-QZTJIDSGSA-N 1 1 286.419 3.138 20 30 CGEDMO N#CC1(CCCC[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)CCC1 ZINC000931753556 639201770 /nfs/dbraw/zinc/20/17/70/639201770.db2.gz RLVCNSVFYBHSRI-CVEARBPZSA-N 1 1 276.424 3.351 20 30 CGEDMO C=CC1(CC(=O)N2CCC[N@H+](C(C)C)CC2)CCCCC1 ZINC000931793335 639206416 /nfs/dbraw/zinc/20/64/16/639206416.db2.gz CUTPWBVOKCWKMQ-UHFFFAOYSA-N 1 1 292.467 3.456 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+](C)C[C@@H](C)C1CCCCC1 ZINC000859866172 639244842 /nfs/dbraw/zinc/24/48/42/639244842.db2.gz HJHMEWZUOZEVCQ-KGLIPLIRSA-N 1 1 252.402 3.063 20 30 CGEDMO Cn1nccc1[C@@H]1CCC[N@H+]1CCCCC(C)(C)C#N ZINC000932265704 639305122 /nfs/dbraw/zinc/30/51/22/639305122.db2.gz RPSAQYPGIXOKFT-HNNXBMFYSA-N 1 1 274.412 3.277 20 30 CGEDMO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000932333839 639314863 /nfs/dbraw/zinc/31/48/63/639314863.db2.gz BDYVNQZAQMMFLQ-LLVKDONJSA-N 1 1 298.308 3.188 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)CCO1 ZINC000932333839 639314865 /nfs/dbraw/zinc/31/48/65/639314865.db2.gz BDYVNQZAQMMFLQ-LLVKDONJSA-N 1 1 298.308 3.188 20 30 CGEDMO Cc1csc(C[C@@H]2CC[N@H+]([C@H]3CC[C@H](C#N)C3)C2)n1 ZINC000933128021 639421473 /nfs/dbraw/zinc/42/14/73/639421473.db2.gz SGMKDHBDNQOHET-IHRRRGAJSA-N 1 1 275.421 3.008 20 30 CGEDMO Cc1csc(C[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)n1 ZINC000933131568 639422613 /nfs/dbraw/zinc/42/26/13/639422613.db2.gz XHLNAJNBGAIZDK-KRWDZBQOSA-N 1 1 296.439 3.368 20 30 CGEDMO CC[N@@H+](CCCCC1(C#N)CCC1)C(C)(C)C(=O)OC ZINC000933185974 639427613 /nfs/dbraw/zinc/42/76/13/639427613.db2.gz AEBYVRRLPWTNGV-UHFFFAOYSA-N 1 1 280.412 3.124 20 30 CGEDMO C=C(Br)C[NH2+][C@]1(C)CCOc2ccccc21 ZINC000933365544 639440626 /nfs/dbraw/zinc/44/06/26/639440626.db2.gz BYMQELRIHSHPIN-CYBMUJFWSA-N 1 1 282.181 3.183 20 30 CGEDMO C=C/C=C/CC[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933632625 639471886 /nfs/dbraw/zinc/47/18/86/639471886.db2.gz SFXNVCSTHXJUEX-REMYHPOOSA-N 1 1 268.360 3.064 20 30 CGEDMO C=C/C=C/CC[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933632625 639471894 /nfs/dbraw/zinc/47/18/94/639471894.db2.gz SFXNVCSTHXJUEX-REMYHPOOSA-N 1 1 268.360 3.064 20 30 CGEDMO N#Cc1ccc([C@H]2C[N@@H+](CC[C@@H]3C[C@H]3C3CC3)CCO2)cc1 ZINC000933632088 639471933 /nfs/dbraw/zinc/47/19/33/639471933.db2.gz NOHTYUWUOAMCRG-CEXWTWQISA-N 1 1 296.414 3.368 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1cccc2c1CCOC2 ZINC000933771244 639489731 /nfs/dbraw/zinc/48/97/31/639489731.db2.gz WURMAYNJJUZROX-UHFFFAOYSA-N 1 1 298.411 3.324 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1C[C@H](O)c1cccc(Br)c1 ZINC000934471952 639615765 /nfs/dbraw/zinc/61/57/65/639615765.db2.gz WZQHEZBWMTVJHT-KGLIPLIRSA-N 1 1 296.208 3.133 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1C[C@H](O)c1cccc(Br)c1 ZINC000934471952 639615771 /nfs/dbraw/zinc/61/57/71/639615771.db2.gz WZQHEZBWMTVJHT-KGLIPLIRSA-N 1 1 296.208 3.133 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1[C@H](C)C(=O)Nc1ccccc1OCC ZINC000934473034 639616745 /nfs/dbraw/zinc/61/67/45/639616745.db2.gz VWPJELNILMTWMT-KGLIPLIRSA-N 1 1 288.391 3.063 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1ccccc1OCC ZINC000934473034 639616750 /nfs/dbraw/zinc/61/67/50/639616750.db2.gz VWPJELNILMTWMT-KGLIPLIRSA-N 1 1 288.391 3.063 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1nnc(-c2ccccc2O)o1 ZINC000934647696 639651270 /nfs/dbraw/zinc/65/12/70/639651270.db2.gz RWQCMVXDTLXPCJ-UHFFFAOYSA-N 1 1 287.363 3.230 20 30 CGEDMO C=C(Br)C[N@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000934837146 639686338 /nfs/dbraw/zinc/68/63/38/639686338.db2.gz RONSZWHQIVCKKC-STQMWFEESA-N 1 1 288.229 3.034 20 30 CGEDMO C=C(C)c1cccc(NC(=O)NCCCn2cc[nH+]c2C)c1 ZINC000934876973 639696105 /nfs/dbraw/zinc/69/61/05/639696105.db2.gz VPSMQRXTEFRICG-UHFFFAOYSA-N 1 1 298.390 3.436 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N2CC[N@H+](C)C[C@H]2CC)c1 ZINC000934884452 639699955 /nfs/dbraw/zinc/69/99/55/639699955.db2.gz UOOPRQIJWAZTHE-MRXNPFEDSA-N 1 1 287.407 3.278 20 30 CGEDMO C#CC[N@H+](C[C@H](O)c1ccccc1Cl)C1CCCC1 ZINC000155874423 639954199 /nfs/dbraw/zinc/95/41/99/639954199.db2.gz ZONKQGVPMAMSBJ-INIZCTEOSA-N 1 1 277.795 3.251 20 30 CGEDMO CCCCCCC[N@H+]1CCSC[C@H]1c1cnn(C)c1 ZINC000191164124 640294473 /nfs/dbraw/zinc/29/44/73/640294473.db2.gz CGSGSBVKJSRYAW-HNNXBMFYSA-N 1 1 281.469 3.480 20 30 CGEDMO C=C(Br)C[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000245880740 640645525 /nfs/dbraw/zinc/64/55/25/640645525.db2.gz KCIZDDTUUVVPKY-MNOVXSKESA-N 1 1 276.243 3.255 20 30 CGEDMO C=C(Br)C[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000245880740 640645531 /nfs/dbraw/zinc/64/55/31/640645531.db2.gz KCIZDDTUUVVPKY-MNOVXSKESA-N 1 1 276.243 3.255 20 30 CGEDMO C#CC[NH+](CC#C)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000089907376 640663656 /nfs/dbraw/zinc/66/36/56/640663656.db2.gz SRAGKEKCNLRPEK-UHFFFAOYSA-N 1 1 298.386 3.102 20 30 CGEDMO CCCCCCCCC[N@H+]1CCN(C[C@H](C)O)C[C@H]1C ZINC000249263801 640795894 /nfs/dbraw/zinc/79/58/94/640795894.db2.gz HRKTWQJASFSJEE-SJORKVTESA-N 1 1 284.488 3.124 20 30 CGEDMO CCCCCCCCCN1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000249263801 640795901 /nfs/dbraw/zinc/79/59/01/640795901.db2.gz HRKTWQJASFSJEE-SJORKVTESA-N 1 1 284.488 3.124 20 30 CGEDMO CCCCCCCCCN1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000249263801 640795907 /nfs/dbraw/zinc/79/59/07/640795907.db2.gz HRKTWQJASFSJEE-SJORKVTESA-N 1 1 284.488 3.124 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253085978 640871173 /nfs/dbraw/zinc/87/11/73/640871173.db2.gz AEQVECBEGIYEJA-MGPQQGTHSA-N 1 1 257.805 3.145 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C3CCC3)cc2)C1 ZINC001007457915 640942338 /nfs/dbraw/zinc/94/23/38/640942338.db2.gz UFGZTPBGKOXXCK-SFHVURJKSA-N 1 1 298.430 3.334 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)C2CCCCCCC2)C1 ZINC001007894983 640944996 /nfs/dbraw/zinc/94/49/96/640944996.db2.gz JNVZANZVIBWXJY-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2occc2Cl)C1 ZINC001008431325 640950789 /nfs/dbraw/zinc/95/07/89/640950789.db2.gz WZZQBSMNOAYGTP-GFCCVEGCSA-N 1 1 296.798 3.093 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C(C)C)c2)C1 ZINC001009089008 640955113 /nfs/dbraw/zinc/95/51/13/640955113.db2.gz VMKVYXAWXXMHAH-GOSISDBHSA-N 1 1 298.430 3.028 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(C(C)C)c2)C1 ZINC001009089008 640955116 /nfs/dbraw/zinc/95/51/16/640955116.db2.gz VMKVYXAWXXMHAH-GOSISDBHSA-N 1 1 298.430 3.028 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C)c2Cl)C1 ZINC001008917304 640955146 /nfs/dbraw/zinc/95/51/46/640955146.db2.gz ZNVGKKGSNFQEEA-ZDUSSCGKSA-N 1 1 292.810 3.029 20 30 CGEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc([C@@H](C)CC)cc2)C1 ZINC001009632421 640960816 /nfs/dbraw/zinc/96/08/16/640960816.db2.gz RQXJYRUZNRVBDJ-MAUKXSAKSA-N 1 1 298.430 3.028 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc([C@@H](C)CC)cc2)C1 ZINC001009632421 640960817 /nfs/dbraw/zinc/96/08/17/640960817.db2.gz RQXJYRUZNRVBDJ-MAUKXSAKSA-N 1 1 298.430 3.028 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001009698908 640963289 /nfs/dbraw/zinc/96/32/89/640963289.db2.gz UUIJQVJOPANGFH-GPANFISMSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001009750651 640963438 /nfs/dbraw/zinc/96/34/38/640963438.db2.gz RZAKINMRWKAQLV-CQSZACIVSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2c(C)oc3ccccc32)C1 ZINC001014540390 640973986 /nfs/dbraw/zinc/97/39/86/640973986.db2.gz BJIGJLRSOMRGTN-CQSZACIVSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc(C3CCC3)cc2)C1 ZINC001014637057 640974182 /nfs/dbraw/zinc/97/41/82/640974182.db2.gz BNOOOVHRPLNPLU-SFHVURJKSA-N 1 1 298.430 3.334 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)C2CCCCCCC2)C1 ZINC001015218330 640978297 /nfs/dbraw/zinc/97/82/97/640978297.db2.gz GGFCLIOBEAOFKP-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[N@H+](CCC(C)(C)C)C2)CC1 ZINC001015660277 640984617 /nfs/dbraw/zinc/98/46/17/640984617.db2.gz WOUCYPIALDCHNV-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C2CCCCC2)C1 ZINC001015814515 640987149 /nfs/dbraw/zinc/98/71/49/640987149.db2.gz MVKNGCBSZUSAED-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2cc(C)ccc2C)C1 ZINC001016097645 640991540 /nfs/dbraw/zinc/99/15/40/640991540.db2.gz UFRZBBRCGHLWSZ-INIZCTEOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)C/C=C/Cl ZINC001155484218 805585852 /nfs/dbraw/zinc/58/58/52/805585852.db2.gz FQWUCUQIWCCEIP-AORWBKJGSA-N 1 1 286.847 3.168 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)C(C)C ZINC001155571239 805593602 /nfs/dbraw/zinc/59/36/02/805593602.db2.gz APCYPYZKKRCXOM-HUUCEWRRSA-N 1 1 268.445 3.071 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001155757222 805609923 /nfs/dbraw/zinc/60/99/23/805609923.db2.gz BWZDCGFCWZPLTG-HYVNUMGLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)CC[C@H](C)CC ZINC001155958401 805630030 /nfs/dbraw/zinc/63/00/30/805630030.db2.gz SLSGYXWEXJXLSE-HUUCEWRRSA-N 1 1 268.445 3.215 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)CNC(=O)c1cccc(C2CCC2)c1 ZINC001156414688 805687667 /nfs/dbraw/zinc/68/76/67/805687667.db2.gz AMZKTSIUZQZRTB-OAHLLOKOSA-N 1 1 298.430 3.028 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](CC)C(C)C ZINC001156466823 805699179 /nfs/dbraw/zinc/69/91/79/805699179.db2.gz WQEMCLXDMRZAMA-HZPDHXFCSA-N 1 1 282.472 3.461 20 30 CGEDMO COc1cccc(F)c1CNc1[nH+]c(C)ccc1CC#N ZINC001156750180 805730164 /nfs/dbraw/zinc/73/01/64/805730164.db2.gz PZHOZUUQFJHKAU-UHFFFAOYSA-N 1 1 285.322 3.216 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1cc2ccccc2[nH]1 ZINC001156787951 805736721 /nfs/dbraw/zinc/73/67/21/805736721.db2.gz UZRUULIOPRDJID-CQSZACIVSA-N 1 1 299.418 3.184 20 30 CGEDMO Cc1c[nH+]c(N[C@@H](C)c2cccc(C#N)c2)nc1NC1CC1 ZINC001156869584 805743062 /nfs/dbraw/zinc/74/30/62/805743062.db2.gz GWOSZGOQIUUMLP-LBPRGKRZSA-N 1 1 293.374 3.404 20 30 CGEDMO Cc1cc(C#N)c(NCCC[N@@H+]2CCCC[C@H]2C)nc1C ZINC001156927489 805754506 /nfs/dbraw/zinc/75/45/06/805754506.db2.gz AALJARNAEHQWPS-CQSZACIVSA-N 1 1 286.423 3.247 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCCC1(C)C ZINC001157190143 805788087 /nfs/dbraw/zinc/78/80/87/805788087.db2.gz CEVZCGWXZDPREH-CVEARBPZSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)CCc1ccc(C)s1 ZINC001157339855 805795330 /nfs/dbraw/zinc/79/53/30/805795330.db2.gz AWOCVTHHUNPNOL-CYBMUJFWSA-N 1 1 294.464 3.002 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)C=C(C)C ZINC001157487157 805820730 /nfs/dbraw/zinc/82/07/30/805820730.db2.gz SXGOMTQOIIHTKQ-CQSZACIVSA-N 1 1 284.831 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C=C(C)C ZINC001157487157 805820737 /nfs/dbraw/zinc/82/07/37/805820737.db2.gz SXGOMTQOIIHTKQ-CQSZACIVSA-N 1 1 284.831 3.018 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1C=CCC1 ZINC001157498942 805825155 /nfs/dbraw/zinc/82/51/55/805825155.db2.gz RFCOYEYNXCZIRB-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccoc1C ZINC001157503336 805826568 /nfs/dbraw/zinc/82/65/68/805826568.db2.gz KRSAHXSCPLWTMA-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)C1CC=CC1 ZINC001157761754 805863463 /nfs/dbraw/zinc/86/34/63/805863463.db2.gz ARJJACMBKCBBNY-QGZVFWFLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1cc(C)c(C)o1 ZINC001157807585 805876652 /nfs/dbraw/zinc/87/66/52/805876652.db2.gz WALFMTCQZXXXKG-OAHLLOKOSA-N 1 1 290.407 3.009 20 30 CGEDMO Cc1[nH+]c(N[C@H]2CCCc3cccnc32)ccc1CC#N ZINC001157846431 805886313 /nfs/dbraw/zinc/88/63/13/805886313.db2.gz BMICCJWYEMTBDM-HNNXBMFYSA-N 1 1 278.359 3.341 20 30 CGEDMO C=CCN(c1[nH+]cnc2c1ccn2C)C1CCCCC1 ZINC001157847624 805887489 /nfs/dbraw/zinc/88/74/89/805887489.db2.gz DETHQPCNJSIVFS-UHFFFAOYSA-N 1 1 270.380 3.293 20 30 CGEDMO CCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)C#CC(C)(C)C ZINC001157964923 805908342 /nfs/dbraw/zinc/90/83/42/805908342.db2.gz IJGGNYRGWXIMRN-MRXNPFEDSA-N 1 1 292.467 3.149 20 30 CGEDMO CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC(C)(C)CC ZINC001158011598 805913378 /nfs/dbraw/zinc/91/33/78/805913378.db2.gz FXEIUTSUILEDSV-MRXNPFEDSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CCC1 ZINC001158011907 805913526 /nfs/dbraw/zinc/91/35/26/805913526.db2.gz VDGYEYDPJBNJGJ-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C[C@H]1CCCCN1C(=O)CCCF ZINC001158329224 805938198 /nfs/dbraw/zinc/93/81/98/805938198.db2.gz KQBLALPITBOVAT-HZPDHXFCSA-N 1 1 298.446 3.404 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)C1CC2(CCC2)C1 ZINC001158350585 805945429 /nfs/dbraw/zinc/94/54/29/805945429.db2.gz SHXGVUNJTDMKDC-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]1CC(C)C ZINC001158512082 805962326 /nfs/dbraw/zinc/96/23/26/805962326.db2.gz BKTBTVFMRZRKRB-BRWVUGGUSA-N 1 1 292.467 3.168 20 30 CGEDMO C[C@H](CNc1[nH+]ccc2[nH]cc(C#N)c21)c1ccc(O)cc1 ZINC001158607727 805974509 /nfs/dbraw/zinc/97/45/09/805974509.db2.gz PNFMKGNBWJTLSE-LLVKDONJSA-N 1 1 292.342 3.356 20 30 CGEDMO C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCC(C)(C)C ZINC001158631173 805979713 /nfs/dbraw/zinc/97/97/13/805979713.db2.gz CTSMBAGNCTYFBY-MRXNPFEDSA-N 1 1 292.467 3.149 20 30 CGEDMO C#C[C@](C)(CC)Nc1cc2cc(OC)ccc2c[nH+]1 ZINC001158743763 805995524 /nfs/dbraw/zinc/99/55/24/805995524.db2.gz ZLPGHUSSCCSVEM-MRXNPFEDSA-N 1 1 254.333 3.457 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCCC2(COC2)C1 ZINC001252125586 806013489 /nfs/dbraw/zinc/01/34/89/806013489.db2.gz FAEHWQFXEGAUJM-MRXNPFEDSA-N 1 1 283.456 3.210 20 30 CGEDMO CCCCCCCC[C@@H](O)CNc1[nH+]cccc1CCO ZINC001252125483 806013532 /nfs/dbraw/zinc/01/35/32/806013532.db2.gz YYVTVZQZZZRWTJ-MRXNPFEDSA-N 1 1 294.439 3.140 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+](CC)CCn1cccn1 ZINC001252129908 806016570 /nfs/dbraw/zinc/01/65/70/806016570.db2.gz GVMUWCWRFSIPLN-KRWDZBQOSA-N 1 1 295.471 3.317 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1C[C@H]2CCCC(=O)[C@@H]2C1 ZINC001252133451 806020669 /nfs/dbraw/zinc/02/06/69/806020669.db2.gz OTAXNJAFPGCHTA-IXDOHACOSA-N 1 1 295.467 3.399 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CCNC(=O)CC(C)C)CC1 ZINC001159111085 806041679 /nfs/dbraw/zinc/04/16/79/806041679.db2.gz BQQGASIMRMEYSG-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C[C@](C)(O)C[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC001252550519 806062785 /nfs/dbraw/zinc/06/27/85/806062785.db2.gz OGNRLTTWAGKPJI-ZDUSSCGKSA-N 1 1 274.191 3.362 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+](C)[C@@H](C)c1cccc(Br)c1 ZINC001252556505 806063805 /nfs/dbraw/zinc/06/38/05/806063805.db2.gz HLQCFCRQIAHVPR-SMDDNHRTSA-N 1 1 298.224 3.379 20 30 CGEDMO C=C[C@](C)(O)C[N@H+](C)C1CCC(C(C)(C)C)CC1 ZINC001252556378 806064756 /nfs/dbraw/zinc/06/47/56/806064756.db2.gz BWCSUEKSMNOCRI-XUJLQICISA-N 1 1 253.430 3.460 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC001252561370 806065688 /nfs/dbraw/zinc/06/56/88/806065688.db2.gz ZVRMZJFWNSEPDW-HIFRSBDPSA-N 1 1 265.784 3.066 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1c1ccccc1F ZINC001252599913 806080780 /nfs/dbraw/zinc/08/07/80/806080780.db2.gz OIQGOKPKOBYNSF-BBRMVZONSA-N 1 1 263.356 3.290 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)/C=C(\C)C2CC2)CC1 ZINC001159446118 806103912 /nfs/dbraw/zinc/10/39/12/806103912.db2.gz ZDAFTARDSWVREZ-CCEZHUSRSA-N 1 1 288.435 3.057 20 30 CGEDMO CCCC[C@H](CC)COC[C@H](O)C[N@H+](CCC)CCC#N ZINC001253007571 806152524 /nfs/dbraw/zinc/15/25/24/806152524.db2.gz REIZHNAHVVQQEO-DLBZAZTESA-N 1 1 298.471 3.206 20 30 CGEDMO CCCC[C@H](CC)COC[C@H](O)C[N@@H+](CCC)CCC#N ZINC001253007571 806152530 /nfs/dbraw/zinc/15/25/30/806152530.db2.gz REIZHNAHVVQQEO-DLBZAZTESA-N 1 1 298.471 3.206 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001253237369 806189213 /nfs/dbraw/zinc/18/92/13/806189213.db2.gz XZXCPGOMXPFKBL-OKZBNKHCSA-N 1 1 295.467 3.375 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+](C)C[C@H]1CCCCO1 ZINC001253239552 806190621 /nfs/dbraw/zinc/19/06/21/806190621.db2.gz NPMJFURWOFOVCL-IAGOWNOFSA-N 1 1 283.456 3.375 20 30 CGEDMO CCCCCCC[N@@H+](C)C[C@@H](O)COC(C)(C)C ZINC001253452936 806220892 /nfs/dbraw/zinc/22/08/92/806220892.db2.gz RIEOIMNBNYCCCF-CQSZACIVSA-N 1 1 259.434 3.065 20 30 CGEDMO C=C[C@H](O)C[N@H+]1CC[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC001253578403 806264174 /nfs/dbraw/zinc/26/41/74/806264174.db2.gz ANEFNECCWPTYOK-RYUDHWBXSA-N 1 1 286.202 3.330 20 30 CGEDMO C=C[C@@H](O)C[N@H+](CC)Cc1ccc(Cl)cc1Cl ZINC001253584188 806265180 /nfs/dbraw/zinc/26/51/80/806265180.db2.gz FAALNXLJNVSBFW-GFCCVEGCSA-N 1 1 274.191 3.362 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H](C)C(C)(C)C)CC1 ZINC001160492191 806278759 /nfs/dbraw/zinc/27/87/59/806278759.db2.gz NQIFALFGDVFNJX-OAHLLOKOSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)C[C@H]2CC[C@@H](C)C2)CC1 ZINC001160932954 806322837 /nfs/dbraw/zinc/32/28/37/806322837.db2.gz NZZUXMROCQHHIA-WBVHZDCISA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1cncc(SCCC)n1 ZINC001160956913 806327783 /nfs/dbraw/zinc/32/77/83/806327783.db2.gz ABHCZRAFFOAYPK-ZDUSSCGKSA-N 1 1 292.452 3.041 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1cc(OC)c2ccccc2n1 ZINC001160953570 806329475 /nfs/dbraw/zinc/32/94/75/806329475.db2.gz FYAWWMQFXPYJGI-AWEZNQCLSA-N 1 1 297.402 3.306 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@H](C)C2)CC1 ZINC001161035816 806340891 /nfs/dbraw/zinc/34/08/91/806340891.db2.gz BKORYASAHBZQNS-DOTOQJQBSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCCC1=CC[N@@H+](CC2CC2)CC1 ZINC001161117070 806350549 /nfs/dbraw/zinc/35/05/49/806350549.db2.gz ZJBPRTLAFNUPGQ-SFHVURJKSA-N 1 1 290.451 3.137 20 30 CGEDMO Cc1ccc(CC#N)c(N[C@H](C)c2ccc3c(c2)OCO3)[nH+]1 ZINC001161517285 806387119 /nfs/dbraw/zinc/38/71/19/806387119.db2.gz GALBFXOCFOPWJP-GFCCVEGCSA-N 1 1 295.342 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@]2(C)CC)CC1 ZINC001161611432 806398699 /nfs/dbraw/zinc/39/86/99/806398699.db2.gz SUMSNCXELCAERL-WMZOPIPTSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cccc(Br)c2)C1 ZINC001254557945 806449220 /nfs/dbraw/zinc/44/92/20/806449220.db2.gz TUUOWBBNVOCIJG-CQSZACIVSA-N 1 1 296.208 3.226 20 30 CGEDMO CCCC[NH+](CCCC)CCN[C@H]1CC[C@@H](C#N)C1 ZINC001254636370 806467089 /nfs/dbraw/zinc/46/70/89/806467089.db2.gz KBRWUDKQMNGMFL-CVEARBPZSA-N 1 1 265.445 3.170 20 30 CGEDMO C[N@@H+]([C@H]1CC[C@H](C#N)C1)C1CCN(Cc2ccccc2)CC1 ZINC001254661106 806478565 /nfs/dbraw/zinc/47/85/65/806478565.db2.gz PAGXMPCWDSKJCK-HKUYNNGSSA-N 1 1 297.446 3.275 20 30 CGEDMO N#CCC[N@H+](Cc1ccccc1)C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254942683 806516222 /nfs/dbraw/zinc/51/62/22/806516222.db2.gz JLBFCHAXGYOCRD-HOTGVXAUSA-N 1 1 282.387 3.160 20 30 CGEDMO N#CCC[N@@H+](Cc1ccccc1)C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254942683 806516226 /nfs/dbraw/zinc/51/62/26/806516226.db2.gz JLBFCHAXGYOCRD-HOTGVXAUSA-N 1 1 282.387 3.160 20 30 CGEDMO CC(C)C[C@](C)(C#N)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001255105931 806544982 /nfs/dbraw/zinc/54/49/82/806544982.db2.gz HVGXOFPRYUZCMS-QZTJIDSGSA-N 1 1 285.435 3.179 20 30 CGEDMO CC[C@@H](CC#N)[NH2+][C@@H](c1ccnc(Cl)c1)C1CC1 ZINC001255156171 806556452 /nfs/dbraw/zinc/55/64/52/806556452.db2.gz FVBBEFVMVHQOAP-GXTWGEPZSA-N 1 1 263.772 3.468 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]C1(c2ccc(OC)cc2)CCC1 ZINC001255159661 806558158 /nfs/dbraw/zinc/55/81/58/806558158.db2.gz ACQVBMJVSSPXFB-AWEZNQCLSA-N 1 1 258.365 3.356 20 30 CGEDMO CC[C@H](CC#N)[N@H+](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001255167249 806564541 /nfs/dbraw/zinc/56/45/41/806564541.db2.gz WMFVUUVKLBSIOQ-ZIAGYGMSSA-N 1 1 295.427 3.010 20 30 CGEDMO CC[C@H](CC#N)[N@@H+](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001255167249 806564548 /nfs/dbraw/zinc/56/45/48/806564548.db2.gz WMFVUUVKLBSIOQ-ZIAGYGMSSA-N 1 1 295.427 3.010 20 30 CGEDMO CC[C@H](CC#N)[N@@H+]1CCC[C@H](Sc2ccncc2)C1 ZINC001255173685 806566764 /nfs/dbraw/zinc/56/67/64/806566764.db2.gz OGKGLMFBHBCUID-HIFRSBDPSA-N 1 1 275.421 3.330 20 30 CGEDMO CC[C@H](CC#N)[N@H+]1CCC[C@H](Sc2ccncc2)C1 ZINC001255173685 806566769 /nfs/dbraw/zinc/56/67/69/806566769.db2.gz OGKGLMFBHBCUID-HIFRSBDPSA-N 1 1 275.421 3.330 20 30 CGEDMO CC[C@H](CC#N)N1CC[C@@]2(CCC[N@H+]2Cc2ccccc2)C1 ZINC001255179855 806572322 /nfs/dbraw/zinc/57/23/22/806572322.db2.gz SOVQIZCSSZGAPQ-MOPGFXCFSA-N 1 1 297.446 3.419 20 30 CGEDMO CC[C@@H](CC#N)[N@H+]1CC[C@@H](c2cccc(OC)c2)C1 ZINC001255179839 806572469 /nfs/dbraw/zinc/57/24/69/806572469.db2.gz SKJLEAQABVTZTC-CABCVRRESA-N 1 1 258.365 3.177 20 30 CGEDMO C=CCOCc1ncn2c1C[N@@H+]([C@H](C)CCCC)CCC2 ZINC001255326376 806613002 /nfs/dbraw/zinc/61/30/02/806613002.db2.gz QIEHPCDAEMMBNH-OAHLLOKOSA-N 1 1 291.439 3.370 20 30 CGEDMO C=CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1[C@@H](C)CCCC ZINC001255328876 806615321 /nfs/dbraw/zinc/61/53/21/806615321.db2.gz NKDFQIFALRCTJW-GOEBONIOSA-N 1 1 291.439 3.101 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H]1CCC[C@@H](C(=O)OCC)C1 ZINC001255368703 806626696 /nfs/dbraw/zinc/62/66/96/806626696.db2.gz HEEKVRVEQTZULD-KGLIPLIRSA-N 1 1 253.386 3.006 20 30 CGEDMO N#CC1(N[C@@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCC1 ZINC001255377349 806629069 /nfs/dbraw/zinc/62/90/69/806629069.db2.gz FFNSYOLTROTBHM-QGZVFWFLSA-N 1 1 283.419 3.077 20 30 CGEDMO C[N@H+]1CC[C@H](N(CCC#N)C2CCCCCCC2)C1 ZINC001255435428 806638312 /nfs/dbraw/zinc/63/83/12/806638312.db2.gz FSUKHKBIXMRFJQ-INIZCTEOSA-N 1 1 263.429 3.019 20 30 CGEDMO CN1CC[C@H]([N@H+](CCC#N)C2CCCCCCC2)C1 ZINC001255435428 806638314 /nfs/dbraw/zinc/63/83/14/806638314.db2.gz FSUKHKBIXMRFJQ-INIZCTEOSA-N 1 1 263.429 3.019 20 30 CGEDMO CN1CC[C@H]([N@@H+](CCC#N)C2CCCCCCC2)C1 ZINC001255435428 806638316 /nfs/dbraw/zinc/63/83/16/806638316.db2.gz FSUKHKBIXMRFJQ-INIZCTEOSA-N 1 1 263.429 3.019 20 30 CGEDMO C[C@H]([NH2+]CC(C)(C)C#N)c1cnn(-c2ccccc2)c1 ZINC000122256415 798990982 /nfs/dbraw/zinc/99/09/82/798990982.db2.gz MIJOTPXEVFCDRD-ZDUSSCGKSA-N 1 1 268.364 3.073 20 30 CGEDMO C=CCCCC(=O)O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000176586361 799101178 /nfs/dbraw/zinc/10/11/78/799101178.db2.gz XALXXSIKROCPFT-INIZCTEOSA-N 1 1 273.376 3.160 20 30 CGEDMO CCCCCCCCCCCC[N@H+]1C[C@H](O)[C@H](CO)C1 ZINC000317633932 799244656 /nfs/dbraw/zinc/24/46/56/799244656.db2.gz JGRPYADTDKYBJJ-IRXDYDNUSA-N 1 1 285.472 3.192 20 30 CGEDMO C#CCNc1cc(C(F)(F)F)c2c([nH+]1)CCCCC2 ZINC001163362297 806747522 /nfs/dbraw/zinc/74/75/22/806747522.db2.gz QVDNJPCHXQNHIW-UHFFFAOYSA-N 1 1 268.282 3.414 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000385466470 799426217 /nfs/dbraw/zinc/42/62/17/799426217.db2.gz DKKWWRYANHOPNX-NEPJUHHUSA-N 1 1 266.772 3.261 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](Nc2cc(Cl)cc(C#N)n2)[C@H](C)C1 ZINC001163362283 806748063 /nfs/dbraw/zinc/74/80/63/806748063.db2.gz MFMGMXLYZJIUMD-BXUZGUMPSA-N 1 1 292.814 3.137 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](Nc2ncc(Cl)cc2C#N)[C@H](C)C1 ZINC001163365132 806748933 /nfs/dbraw/zinc/74/89/33/806748933.db2.gz HNHGCBSDOQAFPK-RISCZKNCSA-N 1 1 292.814 3.137 20 30 CGEDMO C=C(Br)C[NH2+]Cc1ccc(OCC)c(F)c1 ZINC000393795193 799491389 /nfs/dbraw/zinc/49/13/89/799491389.db2.gz IOXJDYOZZNMFOH-UHFFFAOYSA-N 1 1 288.160 3.223 20 30 CGEDMO C=C(C)CNc1ncc(C2=CC[N@@H+](CC)CC2)cc1C ZINC001163375975 806753262 /nfs/dbraw/zinc/75/32/62/806753262.db2.gz PZQWAWHJJBNKTG-UHFFFAOYSA-N 1 1 271.408 3.487 20 30 CGEDMO CC[C@H]1CCCCC[N@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC000402209684 799561057 /nfs/dbraw/zinc/56/10/57/799561057.db2.gz LZWGIFSTJZTDSW-DLBZAZTESA-N 1 1 272.392 3.246 20 30 CGEDMO N#Cc1ccc(C[N@H+](Cc2ccco2)C2CC2)cc1F ZINC000403980995 799573725 /nfs/dbraw/zinc/57/37/25/799573725.db2.gz FZDFTDVCXSSTMX-UHFFFAOYSA-N 1 1 270.307 3.455 20 30 CGEDMO N#Cc1ccc(C[N@@H+](Cc2ccco2)C2CC2)cc1F ZINC000403980995 799573729 /nfs/dbraw/zinc/57/37/29/799573729.db2.gz FZDFTDVCXSSTMX-UHFFFAOYSA-N 1 1 270.307 3.455 20 30 CGEDMO CCCCCCCN1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000697746292 799848156 /nfs/dbraw/zinc/84/81/56/799848156.db2.gz DQYCVPPUGATPII-QWHCGFSZSA-N 1 1 280.378 3.416 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3nccs3)C2)cc1F ZINC000710356171 800032845 /nfs/dbraw/zinc/03/28/45/800032845.db2.gz TUICAXDXMNAUGS-ZDUSSCGKSA-N 1 1 287.363 3.143 20 30 CGEDMO CC(C)(C#N)CN[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716641057 800177656 /nfs/dbraw/zinc/17/76/56/800177656.db2.gz XMGWZCLFRPDGES-KSZLIROESA-N 1 1 297.446 3.179 20 30 CGEDMO C[C@@H]1[C@H](Nc2ccc(C(F)(F)F)cc2C#N)CC[N@H+]1C ZINC000719605541 800245860 /nfs/dbraw/zinc/24/58/60/800245860.db2.gz ZAPQHANMGCCZNK-BXKDBHETSA-N 1 1 283.297 3.082 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000809539705 800442670 /nfs/dbraw/zinc/44/26/70/800442670.db2.gz YECXOSJIIZQOOF-KRWDZBQOSA-N 1 1 250.345 3.333 20 30 CGEDMO C#Cc1ccc(CN2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000809540277 800442959 /nfs/dbraw/zinc/44/29/59/800442959.db2.gz PHHWFYFCKGHLCU-UHFFFAOYSA-N 1 1 296.439 3.047 20 30 CGEDMO CC[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1cccc(OC)n1 ZINC000924981799 800627747 /nfs/dbraw/zinc/62/77/47/800627747.db2.gz XNOPRBHEBROGOI-HNNXBMFYSA-N 1 1 299.349 3.342 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000930923032 800651877 /nfs/dbraw/zinc/65/18/77/800651877.db2.gz FWQZVNYPPZQTAE-RWMBFGLXSA-N 1 1 290.329 3.112 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000933771017 800675936 /nfs/dbraw/zinc/67/59/36/800675936.db2.gz UXWBEPSCRQMOLA-DZGCQCFKSA-N 1 1 276.405 3.009 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)c2ccsc2)C1 ZINC001023218892 800708964 /nfs/dbraw/zinc/70/89/64/800708964.db2.gz FQLSLNFOXRISRM-CQSZACIVSA-N 1 1 292.448 3.156 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1sccc1C ZINC001024307497 800722757 /nfs/dbraw/zinc/72/27/57/800722757.db2.gz YMGLTDDBUQEYRR-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@H]1CNC(=O)C1CCCCC1 ZINC001024308357 800722932 /nfs/dbraw/zinc/72/29/32/800722932.db2.gz FQZRDFKTBBNDRP-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001024664825 800733764 /nfs/dbraw/zinc/73/37/64/800733764.db2.gz XOZSOIWIAPYRFV-BRWVUGGUSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1occc1CC ZINC001024631614 800734241 /nfs/dbraw/zinc/73/42/41/800734241.db2.gz NZNCOEIHRJNCIP-OAHLLOKOSA-N 1 1 290.407 3.002 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccoc1C(C)C ZINC001024820006 800737650 /nfs/dbraw/zinc/73/76/50/800737650.db2.gz VQDPNORMLJGYRM-CQSZACIVSA-N 1 1 290.407 3.173 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C)c1C ZINC001024786215 800737902 /nfs/dbraw/zinc/73/79/02/800737902.db2.gz BIDJJXDYHBCYEJ-MRXNPFEDSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1CC1 ZINC001025183304 800745114 /nfs/dbraw/zinc/74/51/14/800745114.db2.gz JSDCRXSFOCNQHI-DLBZAZTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)F ZINC001025185024 800745597 /nfs/dbraw/zinc/74/55/97/800745597.db2.gz RPPFTVIWAVIWHX-LSDHHAIUSA-N 1 1 296.430 3.156 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)C=C ZINC001025254626 800751213 /nfs/dbraw/zinc/75/12/13/800751213.db2.gz MCFZKFATJUYFSI-JKSUJKDBSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2CC(C)(C)C2)C1 ZINC001025412178 800761331 /nfs/dbraw/zinc/76/13/31/800761331.db2.gz PTDGFPGDOORMPR-GJZGRUSLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C1CCC(C(=O)N[C@H](C)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001025522792 800762264 /nfs/dbraw/zinc/76/22/64/800762264.db2.gz JGYAISMZHUWKID-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(C=C)cc2)C1 ZINC001025544691 800764269 /nfs/dbraw/zinc/76/42/69/800764269.db2.gz YXAZMIWMAPLHDO-MAUKXSAKSA-N 1 1 298.430 3.346 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2ccoc2Cl)C1 ZINC001027386370 800794001 /nfs/dbraw/zinc/79/40/01/800794001.db2.gz ACEMGQRBONJPKL-LBPRGKRZSA-N 1 1 296.798 3.046 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2sccc2Cl)C1 ZINC001027422446 800794405 /nfs/dbraw/zinc/79/44/05/800794405.db2.gz HQKNDFYINUWZCY-LLVKDONJSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001027411100 800794541 /nfs/dbraw/zinc/79/45/41/800794541.db2.gz MFYTWMPOEVNPBP-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(C=C)cc2)C1 ZINC001027590546 800804856 /nfs/dbraw/zinc/80/48/56/800804856.db2.gz AVZUNRXUGAIULC-KRWDZBQOSA-N 1 1 284.403 3.052 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1C ZINC001027729277 800817428 /nfs/dbraw/zinc/81/74/28/800817428.db2.gz ADIOSSMHYYVUOV-MRXNPFEDSA-N 1 1 286.419 3.155 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC001027811639 800819142 /nfs/dbraw/zinc/81/91/42/800819142.db2.gz KUMATEHEUJYTEG-AWEZNQCLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1sccc1F ZINC001027867780 800823127 /nfs/dbraw/zinc/82/31/27/800823127.db2.gz ADOPKFCURIMUQZ-GFCCVEGCSA-N 1 1 296.411 3.048 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC001028081003 800830707 /nfs/dbraw/zinc/83/07/07/800830707.db2.gz KHOHVRDZVXABQM-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2C[C@H](C)CC)CC1 ZINC001028116976 800831689 /nfs/dbraw/zinc/83/16/89/800831689.db2.gz LNMJFWNXRVWEQZ-PBHICJAKSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(C)cccc1C ZINC001028157808 800833838 /nfs/dbraw/zinc/83/38/38/800833838.db2.gz QZNMUOKDOGDOLA-MRXNPFEDSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccoc1CCC ZINC001028262634 800837774 /nfs/dbraw/zinc/83/77/74/800837774.db2.gz YZXMOEFGLKOYKP-AWEZNQCLSA-N 1 1 290.407 3.002 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC001028242742 800838350 /nfs/dbraw/zinc/83/83/50/800838350.db2.gz HWPSNYAZANUKQP-JKSUJKDBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C2CC2)s1 ZINC001028262399 800838365 /nfs/dbraw/zinc/83/83/65/800838365.db2.gz SVLSCBBMFKTMHB-CYBMUJFWSA-N 1 1 290.432 3.006 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](CNC(=O)c2cc(Cl)cs2)C1 ZINC001028848182 800853539 /nfs/dbraw/zinc/85/35/39/800853539.db2.gz RYALSAJISBYRJS-LLVKDONJSA-N 1 1 298.839 3.029 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)c2cc(Cl)cs2)C1 ZINC001028846966 800853973 /nfs/dbraw/zinc/85/39/73/800853973.db2.gz WNMSVWDKTSHIQP-NSHDSACASA-N 1 1 298.839 3.029 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C(=C)Cl ZINC001032423560 800928023 /nfs/dbraw/zinc/92/80/23/800928023.db2.gz SCYLFYGAXMNVBS-KBPBESRZSA-N 1 1 296.842 3.016 20 30 CGEDMO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@H](C)c1ccccc1 ZINC001032560499 800929403 /nfs/dbraw/zinc/92/94/03/800929403.db2.gz NALMLZXSSZMEEO-PVAVHDDUSA-N 1 1 298.430 3.245 20 30 CGEDMO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCC1CCC1 ZINC001032562317 800930084 /nfs/dbraw/zinc/93/00/84/800930084.db2.gz PAWTVGQMYRUEKJ-HOTGVXAUSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)CC1CCCC1 ZINC001032661062 800933107 /nfs/dbraw/zinc/93/31/07/800933107.db2.gz PIMIPSMEIYKQPY-ULQDDVLXSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)CC1CCCC1 ZINC001032661062 800933114 /nfs/dbraw/zinc/93/31/14/800933114.db2.gz PIMIPSMEIYKQPY-ULQDDVLXSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC1CCCCC1 ZINC001032761788 800936537 /nfs/dbraw/zinc/93/65/37/800936537.db2.gz HYMHEKGJQMVJHU-IRXDYDNUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3occc3c2)C1 ZINC001033104968 800952276 /nfs/dbraw/zinc/95/22/76/800952276.db2.gz WZUPYDCDUGGOQQ-MRXNPFEDSA-N 1 1 298.386 3.155 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)C2CCC2)C1 ZINC001033308232 800959877 /nfs/dbraw/zinc/95/98/77/800959877.db2.gz FRKXZNHYFIOEHH-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C2CC3(CCC3)C2)C1 ZINC001033341221 800960406 /nfs/dbraw/zinc/96/04/06/800960406.db2.gz MWGDJLHDBBPERE-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)C2(C)CCCCC2)C1 ZINC001033384189 800962366 /nfs/dbraw/zinc/96/23/66/800962366.db2.gz MFNBKUXKYJRJRB-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001033433439 800964734 /nfs/dbraw/zinc/96/47/34/800964734.db2.gz OKFIBXMTXKJWSZ-BRWVUGGUSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1 ZINC001033477009 800966022 /nfs/dbraw/zinc/96/60/22/800966022.db2.gz ZUXWMCIHOWFYTM-MPGHIAIKSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccoc2Cl)C1 ZINC001033802978 800983164 /nfs/dbraw/zinc/98/31/64/800983164.db2.gz AMUHULATIAKNLU-LBPRGKRZSA-N 1 1 296.798 3.046 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001033834258 800986064 /nfs/dbraw/zinc/98/60/64/800986064.db2.gz VNBCKRCFJCEOJB-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001033896010 800987666 /nfs/dbraw/zinc/98/76/66/800987666.db2.gz WIKXTWOTXDTKEP-BZUAXINKSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2csc(C)c2)C1 ZINC001033989706 800993549 /nfs/dbraw/zinc/99/35/49/800993549.db2.gz OOPJXGBWXRBICW-OAHLLOKOSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(C)s2)C1 ZINC001034077890 800999944 /nfs/dbraw/zinc/99/99/44/800999944.db2.gz IZUJOGCUYZNTHO-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)c2ccccc2)C1 ZINC001034082337 801002079 /nfs/dbraw/zinc/00/20/79/801002079.db2.gz GEAGUHHGJNYMOB-KRWDZBQOSA-N 1 1 286.419 3.237 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@@H](NC(=O)CC2CCCC2)C1 ZINC001034091334 801003542 /nfs/dbraw/zinc/00/35/42/801003542.db2.gz OPXNJNGGPPNJNZ-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)C[C@H]2C=CCC2)C1 ZINC001034094817 801004063 /nfs/dbraw/zinc/00/40/63/801004063.db2.gz IKWZTHRBIHUSPW-GJZGRUSLSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)C[C@H]2C=CCC2)C1 ZINC001034094817 801004069 /nfs/dbraw/zinc/00/40/69/801004069.db2.gz IKWZTHRBIHUSPW-GJZGRUSLSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001034153407 801007691 /nfs/dbraw/zinc/00/76/91/801007691.db2.gz CJKGEHVRZUWKAL-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)CC2CCC2)C1 ZINC001034151461 801007887 /nfs/dbraw/zinc/00/78/87/801007887.db2.gz NUOLEDGYDZHZFM-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@@H](NC(=O)C2(C3CC3)CCC2)C1 ZINC001034332846 801018580 /nfs/dbraw/zinc/01/85/80/801018580.db2.gz YZVHSQSDJQYTLR-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CCCC[N@H+](CC(C)C)C2)CC1 ZINC001034382743 801022431 /nfs/dbraw/zinc/02/24/31/801022431.db2.gz SVOUVBGNBXCZJK-KRWDZBQOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2csc(Cl)c2)C1 ZINC001034434177 801027295 /nfs/dbraw/zinc/02/72/95/801027295.db2.gz JIIWMBANKYDOBM-GFCCVEGCSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC001034506080 801029818 /nfs/dbraw/zinc/02/98/18/801029818.db2.gz MNKWVQSJSRBSIE-KRWDZBQOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2cccc(C)c2C)C1 ZINC001034517511 801030567 /nfs/dbraw/zinc/03/05/67/801030567.db2.gz ZSOKUDSVRLUGQB-MRXNPFEDSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001034538663 801031947 /nfs/dbraw/zinc/03/19/47/801031947.db2.gz UQLZUXVODOAIAR-SJLPKXTDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CC3CCC3)CC[C@@H]21 ZINC001036677978 801087684 /nfs/dbraw/zinc/08/76/84/801087684.db2.gz JLRONELQYUOILZ-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1coc2cc(C)c(C)cc12 ZINC001038559392 801128415 /nfs/dbraw/zinc/12/84/15/801128415.db2.gz XTSUUJIJPJYSDI-CQSZACIVSA-N 1 1 298.386 3.040 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1coc2cc(C)c(C)cc12 ZINC001038559392 801128419 /nfs/dbraw/zinc/12/84/19/801128419.db2.gz XTSUUJIJPJYSDI-CQSZACIVSA-N 1 1 298.386 3.040 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(Cl)c(C)c1 ZINC001038663132 801130433 /nfs/dbraw/zinc/13/04/33/801130433.db2.gz MTFFIGCYLOEFBM-CQSZACIVSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(C(C)C)c1 ZINC001038880513 801134561 /nfs/dbraw/zinc/13/45/61/801134561.db2.gz GHXWCWHTWNQLGK-QGZVFWFLSA-N 1 1 286.419 3.190 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C2CC2)s1 ZINC001038914345 801136278 /nfs/dbraw/zinc/13/62/78/801136278.db2.gz QAIQYNXTPAKCMP-ZDUSSCGKSA-N 1 1 290.432 3.006 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)c1sccc1CC ZINC001039049721 801142758 /nfs/dbraw/zinc/14/27/58/801142758.db2.gz YLKYIAUVUUNBMU-AWEZNQCLSA-N 1 1 292.448 3.081 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC(C)(C)C1 ZINC001039053708 801142941 /nfs/dbraw/zinc/14/29/41/801142941.db2.gz LMHCTOOIHXEKDJ-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)C=C(C)C)CC2)C1 ZINC001039106367 801148257 /nfs/dbraw/zinc/14/82/57/801148257.db2.gz RNFYDKQTKBPCAX-KRWDZBQOSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C1CC1 ZINC001039361659 801159905 /nfs/dbraw/zinc/15/99/05/801159905.db2.gz CCAQWTYQPOSEIN-OIISXLGYSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(CC)CCC1 ZINC001039422241 801160962 /nfs/dbraw/zinc/16/09/62/801160962.db2.gz PIMGQSDBDDEEKO-CVEARBPZSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CCCCC1 ZINC001039429397 801162298 /nfs/dbraw/zinc/16/22/98/801162298.db2.gz QLBWMSCNTBWILB-CVEARBPZSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C(CC)CC)C2)C1 ZINC001040076897 801172637 /nfs/dbraw/zinc/17/26/37/801172637.db2.gz MAACSMIEOBGHCF-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)CC(C)(C)C)C2)C1 ZINC001041071381 801185960 /nfs/dbraw/zinc/18/59/60/801185960.db2.gz BIFFSRKBOGKSFN-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)C(=C)C)C2)C1 ZINC001041537616 801189282 /nfs/dbraw/zinc/18/92/82/801189282.db2.gz ZUIVEQMOVHQWPX-GOSISDBHSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C3(CC)CCC3)C2)C1 ZINC001041570221 801191358 /nfs/dbraw/zinc/19/13/58/801191358.db2.gz ORNCZKDBHCAWDN-QGZVFWFLSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)CC)C2)C1 ZINC001041624276 801191390 /nfs/dbraw/zinc/19/13/90/801191390.db2.gz SQTWMAIIWNJQQU-MRXNPFEDSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)CC)C2)C1 ZINC001041624276 801191393 /nfs/dbraw/zinc/19/13/93/801191393.db2.gz SQTWMAIIWNJQQU-MRXNPFEDSA-N 1 1 298.858 3.100 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc(C)cc(C)c3)C2)C1 ZINC001041803649 801194351 /nfs/dbraw/zinc/19/43/51/801194351.db2.gz IAFDEJPRIKMRCS-LJQANCHMSA-N 1 1 298.430 3.027 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3)C[C@H]21 ZINC001041907357 801195600 /nfs/dbraw/zinc/19/56/00/801195600.db2.gz UMIMAKHXMJILLR-SJLPKXTDSA-N 1 1 298.430 3.189 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)CCC3CCC3)C[C@H]21 ZINC001041999374 801198130 /nfs/dbraw/zinc/19/81/30/801198130.db2.gz GCZXOHHORHOHCY-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)CCC3CCC3)C[C@H]21 ZINC001041999373 801198700 /nfs/dbraw/zinc/19/87/00/801198700.db2.gz GCZXOHHORHOHCY-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3c(C)cccc3C)C[C@H]21 ZINC001042243175 801203615 /nfs/dbraw/zinc/20/36/15/801203615.db2.gz PVLIEGQXLBYBHN-DLBZAZTESA-N 1 1 298.430 3.026 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cccc(C)c3C)C[C@H]21 ZINC001042339475 801204927 /nfs/dbraw/zinc/20/49/27/801204927.db2.gz XCZSNYPOBDIIBC-SJLPKXTDSA-N 1 1 298.430 3.026 20 30 CGEDMO C=CCC[NH+]1CC(N(C)C(=O)c2ccccc2C2CCC2)C1 ZINC001044244174 801231981 /nfs/dbraw/zinc/23/19/81/801231981.db2.gz UIYHUARKEVCEAF-UHFFFAOYSA-N 1 1 298.430 3.286 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C1CCC1)C2 ZINC001045909623 801292267 /nfs/dbraw/zinc/29/22/67/801292267.db2.gz NVSTXSSSRNSLCK-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCCC[C@]2(CC[N@H+](C(C)C)C2)C1 ZINC001045958191 801294835 /nfs/dbraw/zinc/29/48/35/801294835.db2.gz LYLUJMNNYPVFJZ-GOSISDBHSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCCC[C@@]2(CC[N@H+](CC)C2)C1 ZINC001045956664 801295674 /nfs/dbraw/zinc/29/56/74/801295674.db2.gz SAGRYGCBPRCWIZ-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCCC[C@@]3(CC[N@H+](CC)C3)C2)C1 ZINC001045962880 801297707 /nfs/dbraw/zinc/29/77/07/801297707.db2.gz CPBWLAQXZAJNBR-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)c2coc3c2cccc3C)C1 ZINC001046375394 801309257 /nfs/dbraw/zinc/30/92/57/801309257.db2.gz YRECUPNMBUKCNW-SFHVURJKSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001046413916 801310003 /nfs/dbraw/zinc/31/00/03/801310003.db2.gz CZHJQROIVIDRDN-AEFFLSMTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001046787077 801323125 /nfs/dbraw/zinc/32/31/25/801323125.db2.gz STQIAGPANNNNDW-BQFCYCMXSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)c2cc(C)cc(C)c2)C1 ZINC001046797341 801325026 /nfs/dbraw/zinc/32/50/26/801325026.db2.gz YQLVTHUPLRFVMF-GOSISDBHSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)c2cccc3ccccc32)C1 ZINC001046811160 801326408 /nfs/dbraw/zinc/32/64/08/801326408.db2.gz AMEJDNWRPNTINO-IBGZPJMESA-N 1 1 294.398 3.220 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc3ccccc3c2)C1 ZINC001046797967 801326847 /nfs/dbraw/zinc/32/68/47/801326847.db2.gz INSDJHJRLXHLAQ-IBGZPJMESA-N 1 1 294.398 3.220 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001046848530 801327223 /nfs/dbraw/zinc/32/72/23/801327223.db2.gz IGWAXCVLIAUVQA-IBGZPJMESA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001046848531 801329087 /nfs/dbraw/zinc/32/90/87/801329087.db2.gz IGWAXCVLIAUVQA-LJQANCHMSA-N 1 1 298.430 3.334 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001046863844 801331195 /nfs/dbraw/zinc/33/11/95/801331195.db2.gz JDOYRHBXNGRTTD-JMLCCBQJSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[N@H+](CCC(C)C)C[C@@H]2C1 ZINC001049035806 801354110 /nfs/dbraw/zinc/35/41/10/801354110.db2.gz OYZMPIDSNQQCSQ-JZXOWHBKSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CCCCC1 ZINC001049303145 801362234 /nfs/dbraw/zinc/36/22/34/801362234.db2.gz QTRNBXMKWKCZCA-SJORKVTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1cccc(C)c1 ZINC001049310692 801364667 /nfs/dbraw/zinc/36/46/67/801364667.db2.gz FYABSSWWNJCENB-MSOLQXFVSA-N 1 1 298.430 3.250 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)=C1CCCC1 ZINC001049412846 801370591 /nfs/dbraw/zinc/37/05/91/801370591.db2.gz QDBBBQXRYCNEEJ-SJORKVTESA-N 1 1 288.435 3.128 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)C1CCC1 ZINC001049551771 801375836 /nfs/dbraw/zinc/37/58/36/801375836.db2.gz QOMIDTGASFWNPR-USXIJHARSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCC ZINC001049639903 801379222 /nfs/dbraw/zinc/37/92/22/801379222.db2.gz RCRQEQGCBRGHBO-HOTGVXAUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)C(C)(C)C ZINC001049637510 801379626 /nfs/dbraw/zinc/37/96/26/801379626.db2.gz HIGOTKIDWMSHLP-CABCVRRESA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(C)C1CC1 ZINC001049660473 801382415 /nfs/dbraw/zinc/38/24/15/801382415.db2.gz NRKGSLOMZTVTLX-HZPDHXFCSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1(CC)CCC1 ZINC001049662952 801382788 /nfs/dbraw/zinc/38/27/88/801382788.db2.gz KGSFTBWHKAIPOK-CVEARBPZSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1CCC ZINC001049702078 801385495 /nfs/dbraw/zinc/38/54/95/801385495.db2.gz JBSWCHRBTGXERS-WCXIOVBPSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)c3ccc(C)c(C)c3)[C@@H]2C1 ZINC001050196835 801399934 /nfs/dbraw/zinc/39/99/34/801399934.db2.gz NFJKYGZUXHEIAD-ZWKOTPCHSA-N 1 1 298.430 3.026 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)C2CCCCC2)CC1 ZINC001052165133 801422484 /nfs/dbraw/zinc/42/24/84/801422484.db2.gz IDBHGCCIOXHRDZ-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C)c2)CC1 ZINC001052177304 801424314 /nfs/dbraw/zinc/42/43/14/801424314.db2.gz TVJAYRBVEXMFFY-QGZVFWFLSA-N 1 1 286.419 3.155 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C(C)=C2CCC2)CC1 ZINC001052373650 801433434 /nfs/dbraw/zinc/43/34/34/801433434.db2.gz QTTGCTVPVSWFDU-OAHLLOKOSA-N 1 1 296.842 3.210 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)sc2C)CC1 ZINC001052536934 801437696 /nfs/dbraw/zinc/43/76/96/801437696.db2.gz IYFNTBOLXXXKDG-AWEZNQCLSA-N 1 1 292.448 3.135 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](CCC(C)C)CC2)C1 ZINC001052692602 801447054 /nfs/dbraw/zinc/44/70/54/801447054.db2.gz HTTCYSUAOCHFBZ-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)c2ccsc2)CC1 ZINC001052701261 801448166 /nfs/dbraw/zinc/44/81/66/801448166.db2.gz BRLSRGOENKGEGC-ZFWWWQNUSA-N 1 1 292.448 3.008 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccoc2CCC)CC1 ZINC001052866013 801453963 /nfs/dbraw/zinc/45/39/63/801453963.db2.gz UAFCHDMMEZAHNX-AWEZNQCLSA-N 1 1 290.407 3.002 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC23CCCC3)CC1 ZINC001052840127 801454066 /nfs/dbraw/zinc/45/40/66/801454066.db2.gz XMNOBWGYVWLOGU-HZPDHXFCSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC23CCCC3)CC1 ZINC001052843066 801454284 /nfs/dbraw/zinc/45/42/84/801454284.db2.gz ARIWBUZLWBOEGE-HZPDHXFCSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC)C2)C1 ZINC001052996591 801459996 /nfs/dbraw/zinc/45/99/96/801459996.db2.gz KHKYSXYPLUPQSF-IRXDYDNUSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC)C1 ZINC001053057095 801464673 /nfs/dbraw/zinc/46/46/73/801464673.db2.gz HCFGHXWHOQWNIL-IRXDYDNUSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@H]([C@H]2CCC[N@H+](CC)C2)C1 ZINC001053032837 801464926 /nfs/dbraw/zinc/46/49/26/801464926.db2.gz MTMRRRQKZJHVCS-HOTGVXAUSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3CC)cc2C1 ZINC001054283169 801483750 /nfs/dbraw/zinc/48/37/50/801483750.db2.gz OKEOHDPOSPYZET-CRAIPNDOSA-N 1 1 298.430 3.241 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2sccc2C)CC[C@H]1C ZINC001071315228 801526042 /nfs/dbraw/zinc/52/60/42/801526042.db2.gz UJUODKCIFNMEGU-KGLIPLIRSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)CC2CCCC2)CC[C@@H]1C ZINC001071315324 801526931 /nfs/dbraw/zinc/52/69/31/801526931.db2.gz WCRPOEXEVGFCPO-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cccs2)CC[C@H]1C ZINC001071330817 801528877 /nfs/dbraw/zinc/52/88/77/801528877.db2.gz XYAFHQZPHRNQRA-KGLIPLIRSA-N 1 1 292.448 3.297 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C(F)=C2CCCC2)CC[C@H]1C ZINC001071427557 801536712 /nfs/dbraw/zinc/53/67/12/801536712.db2.gz NBGCHRYJJVCGLG-UKRRQHHQSA-N 1 1 294.414 3.329 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2csc(Cl)c2)CC[C@H]1C ZINC001071868981 801555882 /nfs/dbraw/zinc/55/58/82/801555882.db2.gz NRKLVNYBUCSKHA-PWSUYJOCSA-N 1 1 298.839 3.170 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)CC[C@H]1C ZINC001072006389 801558876 /nfs/dbraw/zinc/55/88/76/801558876.db2.gz SNSMZHCLGHWBLU-QBPKDAKJSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)C2(F)CCCCC2)CC[C@H]1C ZINC001071963070 801559079 /nfs/dbraw/zinc/55/90/79/801559079.db2.gz DEKXXQLTMFFZAT-HUUCEWRRSA-N 1 1 296.430 3.204 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)c2ccc(CC)cc2)CC[C@H]1C ZINC001072041232 801561395 /nfs/dbraw/zinc/56/13/95/801561395.db2.gz VNKRTGWZEHNSRJ-RHSMWYFYSA-N 1 1 286.419 3.018 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001079751479 801647652 /nfs/dbraw/zinc/64/76/52/801647652.db2.gz XMKDGGWDXVQBGX-BRWVUGGUSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CCC(C)(C)C)C[C@H]2C)C1 ZINC001080405405 801652545 /nfs/dbraw/zinc/65/25/45/801652545.db2.gz BQQYGDMJODVEDR-HUUCEWRRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc3ccccc32)C1 ZINC001080880473 801656198 /nfs/dbraw/zinc/65/61/98/801656198.db2.gz DZUCBIRAFVUSJE-RDTXWAMCSA-N 1 1 294.398 3.076 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(C3CC3)c2)C1 ZINC001081012222 801657031 /nfs/dbraw/zinc/65/70/31/801657031.db2.gz IVDIFMJEOAGUSA-RDTXWAMCSA-N 1 1 298.430 3.190 20 30 CGEDMO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(CCC)s1 ZINC001085620291 801699471 /nfs/dbraw/zinc/69/94/71/801699471.db2.gz LAMROUMMCCLUCR-ZDUSSCGKSA-N 1 1 292.448 3.033 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(CCC)s1 ZINC001085620291 801699475 /nfs/dbraw/zinc/69/94/75/801699475.db2.gz LAMROUMMCCLUCR-ZDUSSCGKSA-N 1 1 292.448 3.033 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1Cl ZINC001085937361 801712756 /nfs/dbraw/zinc/71/27/56/801712756.db2.gz DBAVXDRQURYYGU-ZDUSSCGKSA-N 1 1 292.810 3.062 20 30 CGEDMO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2cccc(C)c2o1 ZINC001085988609 801716903 /nfs/dbraw/zinc/71/69/03/801716903.db2.gz RBCMUIXVPMSFME-HNNXBMFYSA-N 1 1 298.386 3.074 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2cccc(C)c2o1 ZINC001085988609 801716907 /nfs/dbraw/zinc/71/69/07/801716907.db2.gz RBCMUIXVPMSFME-HNNXBMFYSA-N 1 1 298.386 3.074 20 30 CGEDMO C#CCN([C@@H]1CCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256628254 806932182 /nfs/dbraw/zinc/93/21/82/806932182.db2.gz YCLXLOWOQWBNHX-NHJHPMQKSA-N 1 1 294.442 3.234 20 30 CGEDMO C#CC[N@H+]([C@@H]1CCc2ccccc21)C1C[C@H]2CC[C@@H](C1)N2C ZINC001256628254 806932189 /nfs/dbraw/zinc/93/21/89/806932189.db2.gz YCLXLOWOQWBNHX-NHJHPMQKSA-N 1 1 294.442 3.234 20 30 CGEDMO C#CC[N@@H+]([C@@H]1CCc2ccccc21)C1C[C@H]2CC[C@@H](C1)N2C ZINC001256628254 806932196 /nfs/dbraw/zinc/93/21/96/806932196.db2.gz YCLXLOWOQWBNHX-NHJHPMQKSA-N 1 1 294.442 3.234 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C(C)C)C(C)(C)[C@H]21 ZINC001087274775 801748721 /nfs/dbraw/zinc/74/87/21/801748721.db2.gz WNBSCPKPBUIMTP-PMPSAXMXSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccoc2CC)[C@H]1CC ZINC001087558410 801757290 /nfs/dbraw/zinc/75/72/90/801757290.db2.gz GFXNINPDJUBHSM-LSDHHAIUSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC=CCCC2)[C@H]1CC ZINC001087621416 801759163 /nfs/dbraw/zinc/75/91/63/801759163.db2.gz UEIGAZDVEBBIOC-IXDOHACOSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2occc2Cl)[C@H]1CC ZINC001087713758 801764371 /nfs/dbraw/zinc/76/43/71/801764371.db2.gz HGHBBYKPBISFNE-QWHCGFSZSA-N 1 1 296.798 3.092 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2(C)CC(=C)C2)[C@H]1CC ZINC001087717719 801766448 /nfs/dbraw/zinc/76/64/48/801766448.db2.gz NESABCVCXNWBIR-JKSUJKDBSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC=CCC2)[C@H]1C ZINC001088797939 801807404 /nfs/dbraw/zinc/80/74/04/801807404.db2.gz SMOWHQZRUBDQMF-KFWWJZLASA-N 1 1 296.842 3.064 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC=CCC2)[C@H]1C ZINC001088797939 801807408 /nfs/dbraw/zinc/80/74/08/801807408.db2.gz SMOWHQZRUBDQMF-KFWWJZLASA-N 1 1 296.842 3.064 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2occc2C(C)C)[C@H]1C ZINC001088812137 801810217 /nfs/dbraw/zinc/81/02/17/801810217.db2.gz OJXLHRRKVVMEDL-HIFRSBDPSA-N 1 1 290.407 3.172 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[N@H+](C/C=C/Cl)[C@@H]2C)CC1 ZINC001088838492 801810700 /nfs/dbraw/zinc/81/07/00/801810700.db2.gz MGUKNHWWBMNOCT-XTCLEQKOSA-N 1 1 296.842 3.064 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](C/C=C/Cl)[C@@H]2C)CC1 ZINC001088838492 801810708 /nfs/dbraw/zinc/81/07/08/801810708.db2.gz MGUKNHWWBMNOCT-XTCLEQKOSA-N 1 1 296.842 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCC2(C)C)[C@H]1C ZINC001089067393 801818457 /nfs/dbraw/zinc/81/84/57/801818457.db2.gz FGHCYIKQSYVGTD-PMPSAXMXSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC2(C)C)CC(C)(C)C1 ZINC001089464925 801839664 /nfs/dbraw/zinc/83/96/64/801839664.db2.gz MFGUWDGJZQRDPZ-HUUCEWRRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C)C2 ZINC001095126945 801880462 /nfs/dbraw/zinc/88/04/62/801880462.db2.gz SIGUBOUGHRZIJR-NJAFHUGGSA-N 1 1 298.430 3.296 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C1CCC1)C2 ZINC001095603928 801886350 /nfs/dbraw/zinc/88/63/50/801886350.db2.gz XHGTUBQZPCCGHO-SIXLDLHFSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C(C)C)c1)C2 ZINC001096283235 801887647 /nfs/dbraw/zinc/88/76/47/801887647.db2.gz YMQZTOZMFXAXCT-SQNIBIBYSA-N 1 1 298.430 3.331 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC(C)(C)C1)C2 ZINC001095982715 801887912 /nfs/dbraw/zinc/88/79/12/801887912.db2.gz ILDVACJXMFOUFI-FZKCQIBNSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@]1(C)CC=CCC1)C2 ZINC001097129996 801899107 /nfs/dbraw/zinc/89/91/07/801899107.db2.gz BBJJGXDLTKLVEG-CBZIJGRNSA-N 1 1 288.435 3.030 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C)CC=CC1)C2 ZINC001097786874 801905277 /nfs/dbraw/zinc/90/52/77/801905277.db2.gz JSMISIQOOADAPJ-OAGGEKHMSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCC(=C)CC1)C2 ZINC001097789879 801905744 /nfs/dbraw/zinc/90/57/44/801905744.db2.gz VYIMWXRKZWKDGR-ZACQAIPSSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C1CCCC1)C2 ZINC001098190761 801906574 /nfs/dbraw/zinc/90/65/74/801906574.db2.gz OKURUPKXOSVHTG-DZUCGIPZSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C1CCCC1)C2 ZINC001098191093 801908089 /nfs/dbraw/zinc/90/80/89/801908089.db2.gz ZXHYBTJJZJHSCE-SVGFKBNWSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(C)c1C)C2 ZINC001098315606 801910154 /nfs/dbraw/zinc/91/01/54/801910154.db2.gz CXVZVFRMLUVPIZ-NXHRZFHOSA-N 1 1 298.430 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccccc2)C1 ZINC001098706961 801911983 /nfs/dbraw/zinc/91/19/83/801911983.db2.gz SOTJSRUYOMRBGK-HKUYNNGSSA-N 1 1 298.430 3.237 20 30 CGEDMO C=CCCCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(C)=O ZINC001098821703 801916236 /nfs/dbraw/zinc/91/62/36/801916236.db2.gz RQNHPFFWMGTOJG-MRXNPFEDSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC ZINC001098862281 801918641 /nfs/dbraw/zinc/91/86/41/801918641.db2.gz ODSSUXHLGCPREN-ZDUSSCGKSA-N 1 1 286.847 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC ZINC001098862281 801918644 /nfs/dbraw/zinc/91/86/44/801918644.db2.gz ODSSUXHLGCPREN-ZDUSSCGKSA-N 1 1 286.847 3.146 20 30 CGEDMO C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)C1CC1 ZINC001099001912 801923754 /nfs/dbraw/zinc/92/37/54/801923754.db2.gz YAPVBVJSHPJMSI-HOCLYGCPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC1CCC1 ZINC001099000478 801924959 /nfs/dbraw/zinc/92/49/59/801924959.db2.gz JTTPTSQAKYDSSZ-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](C(C)C)C3)CC1 ZINC001099013248 801926232 /nfs/dbraw/zinc/92/62/32/801926232.db2.gz ZLBOKARDQPGJIL-WMZOPIPTSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)/C=C(/C)CC ZINC001099054350 801928557 /nfs/dbraw/zinc/92/85/57/801928557.db2.gz DLTDLKUKZVDTAQ-QKXCFHHRSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1(CC)CC1 ZINC001099219851 801933820 /nfs/dbraw/zinc/93/38/20/801933820.db2.gz FKMOQJULGAIPQZ-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(CC)CC ZINC001099343715 801936232 /nfs/dbraw/zinc/93/62/32/801936232.db2.gz BCTFZMYRZRXYPG-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)C ZINC001099316580 801936845 /nfs/dbraw/zinc/93/68/45/801936845.db2.gz WEZHLHHCSOJPTN-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)C2CCC2)[C@H](C)C1 ZINC001102082259 801998548 /nfs/dbraw/zinc/99/85/48/801998548.db2.gz OORPDHAVIKIWDG-BFYDXBDKSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1C ZINC001102228554 801999352 /nfs/dbraw/zinc/99/93/52/801999352.db2.gz FOBODADGQHFGRQ-GDBMZVCRSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1C[N@@H+](CCCC(C)C)C[C@H]1C ZINC001102230282 801999743 /nfs/dbraw/zinc/99/97/43/801999743.db2.gz ZLGGMACDYGPZLF-HZPDHXFCSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](CNC(=O)C2(CCC)CCC2)[C@H](C)C1 ZINC001102257412 802002166 /nfs/dbraw/zinc/00/21/66/802002166.db2.gz BCGNUZHBFAZEEO-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCCC(=O)NC[C@@H]1C[N@@H+](CC/C=C/CC)C[C@H]1C ZINC001102296977 802003538 /nfs/dbraw/zinc/00/35/38/802003538.db2.gz CMQWARMASZMWRF-WPLBAPSMSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](CNC(=O)C[C@H](C)CCCCC)[C@H](C)C1 ZINC001102437564 802008224 /nfs/dbraw/zinc/00/82/24/802008224.db2.gz KLJYDHSJWRMGJO-BRWVUGGUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CCC2)C1 ZINC001102632412 802016234 /nfs/dbraw/zinc/01/62/34/802016234.db2.gz VYCZPAOLJXULKN-BFYDXBDKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC(=O)NCC[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C ZINC001102764465 802020011 /nfs/dbraw/zinc/02/00/11/802020011.db2.gz XNTDITATVOTELP-HZPDHXFCSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)CC)C1 ZINC001102913478 802023115 /nfs/dbraw/zinc/02/31/15/802023115.db2.gz MZIJQSUGEYRQAQ-BZUAXINKSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CC(C)(C)CC(=O)NCC[C@@H]1C[N@H+](CC(=C)C)C[C@H]1C ZINC001103033604 802026405 /nfs/dbraw/zinc/02/64/05/802026405.db2.gz UQVCNODVRAYIGK-HZPDHXFCSA-N 1 1 292.467 3.239 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C ZINC001103313707 802029846 /nfs/dbraw/zinc/02/98/46/802029846.db2.gz WLTHUQFXEOJWAP-GDBMZVCRSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCCCC(=O)NCC[C@@H]1C[N@H+](C/C=C\Cl)C[C@H]1C ZINC001103385480 802032511 /nfs/dbraw/zinc/03/25/11/802032511.db2.gz WKFZDUGKWLVRNW-AJNJCKRNSA-N 1 1 298.858 3.169 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@](C)(C=C)CC)C1 ZINC001103401731 802033582 /nfs/dbraw/zinc/03/35/82/802033582.db2.gz LTQXASZJFUKDSU-NUJGCVRESA-N 1 1 292.467 3.239 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001103416162 802035086 /nfs/dbraw/zinc/03/50/86/802035086.db2.gz YTPLCRIOWYWOBX-BZUAXINKSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(CCC)CC2)C1 ZINC001103410736 802035221 /nfs/dbraw/zinc/03/52/21/802035221.db2.gz HSWWRWLOMUTCFM-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(CNC(=O)CCCC)CCC[C@@H]12 ZINC001107282605 802084133 /nfs/dbraw/zinc/08/41/33/802084133.db2.gz MIHXBYMDVLPCQL-NVXWUHKLSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC[C@H](C)F)CC2 ZINC001107326600 802085180 /nfs/dbraw/zinc/08/51/80/802085180.db2.gz BPHDXRLNUBSHHB-ZMSDIMECSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(CNC(=O)C[C@@H](C)CC)CCC[C@@H]12 ZINC001107383833 802088751 /nfs/dbraw/zinc/08/87/51/802088751.db2.gz IHUPCPUHWOMJCE-LZLYRXPVSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)C=C)CCC[C@@H]12 ZINC001107502564 802090617 /nfs/dbraw/zinc/09/06/17/802090617.db2.gz JBPUNOZBCWBDAB-CRAIPNDOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)CCC)C2 ZINC001109094265 802108362 /nfs/dbraw/zinc/10/83/62/802108362.db2.gz VSRTVHJYJWDODD-FZKCQIBNSA-N 1 1 278.440 3.110 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)C(C)C)C2 ZINC001109059083 802108506 /nfs/dbraw/zinc/10/85/06/802108506.db2.gz VOHZXLRYTVTJDV-YVSFHVDLSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1(C)CCCC1)C2 ZINC001109236751 802111677 /nfs/dbraw/zinc/11/16/77/802111677.db2.gz FEXIQPMIDJUWKU-PMPSAXMXSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C/C(C)=C\CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(=C)C ZINC001109617222 802119017 /nfs/dbraw/zinc/11/90/17/802119017.db2.gz JENGUIXNZKVLOH-MXFARKAYSA-N 1 1 288.435 3.197 20 30 CGEDMO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)CCC=C ZINC001109657546 802121792 /nfs/dbraw/zinc/12/17/92/802121792.db2.gz UFUAFESTDAUHPO-NCOADZHNSA-N 1 1 290.451 3.419 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)C(C)(C)C)C2 ZINC001110038943 802130135 /nfs/dbraw/zinc/13/01/35/802130135.db2.gz ZXTJIDIDMQMEDT-WCVJEAGWSA-N 1 1 292.467 3.356 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(C)(C)C)C2 ZINC001110290695 802135670 /nfs/dbraw/zinc/13/56/70/802135670.db2.gz NJZRBMWVOVKTSN-KFWWJZLASA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCCCC1 ZINC001110371520 802138495 /nfs/dbraw/zinc/13/84/95/802138495.db2.gz QCINWQACQNLLQX-ZACQAIPSSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](F)CC ZINC001110603769 802146022 /nfs/dbraw/zinc/14/60/22/802146022.db2.gz SQZMCLVKJHIIAY-TUVASFSCSA-N 1 1 296.430 3.058 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(CC(C)C)CC1)C2 ZINC001110647793 802147449 /nfs/dbraw/zinc/14/74/49/802147449.db2.gz PJJSEUBWGNXEJU-OAGGEKHMSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(=C)C ZINC001111073353 802154941 /nfs/dbraw/zinc/15/49/41/802154941.db2.gz GPROVILGKMRQDD-OAGGEKHMSA-N 1 1 290.451 3.276 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](C)CC ZINC001111072793 802154990 /nfs/dbraw/zinc/15/49/90/802154990.db2.gz SVKORKFHTZJZJP-JJXSEGSLSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](C)CC ZINC001111072792 802155458 /nfs/dbraw/zinc/15/54/58/802155458.db2.gz SVKORKFHTZJZJP-FPCVCCKLSA-N 1 1 292.467 3.356 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)CC(C)C)C2 ZINC001111192580 802156047 /nfs/dbraw/zinc/15/60/47/802156047.db2.gz PEKTXDDBCQZCFE-HZMVEIRTSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCC(C)C)C2 ZINC001111857030 802170727 /nfs/dbraw/zinc/17/07/27/802170727.db2.gz RQKNZENDHHKBSQ-WMZOPIPTSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCCC=C)C2 ZINC001111858847 802170926 /nfs/dbraw/zinc/17/09/26/802170926.db2.gz BIWMJEIXJADBQE-WMZOPIPTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC1(C(=O)N2CC[NH+](CCCCCF)CC2)CC1 ZINC001113312556 802214997 /nfs/dbraw/zinc/21/49/97/802214997.db2.gz BPIHVYTVVWOTQK-UHFFFAOYSA-N 1 1 296.430 3.017 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)CCCC2CCCCC2)CC1 ZINC001113608794 802230090 /nfs/dbraw/zinc/23/00/90/802230090.db2.gz JDSHOPCXAWEZAW-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)[C@H](CC)CCCCC)CC1 ZINC001113664279 802231409 /nfs/dbraw/zinc/23/14/09/802231409.db2.gz FVJJUAPPOWCYQI-MRXNPFEDSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[C@@H](C)CC ZINC001114332221 802240972 /nfs/dbraw/zinc/24/09/72/802240972.db2.gz VUBKSGPXEYIJGG-LISAXSMJSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21 ZINC001114340389 802241675 /nfs/dbraw/zinc/24/16/75/802241675.db2.gz FUGRWYOYVHZQFW-FOLVSLTJSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC001114680215 802242733 /nfs/dbraw/zinc/24/27/33/802242733.db2.gz FUUNWETUEPGYSF-FICVDOATSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)C(C)(C)C ZINC001114692264 802243384 /nfs/dbraw/zinc/24/33/84/802243384.db2.gz DIDPJPHVMHQDFK-FICVDOATSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](CCCCCC)C[C@H]21 ZINC001114896949 802247475 /nfs/dbraw/zinc/24/74/75/802247475.db2.gz SWVLRKLGKLNOLD-ZSHCYNCHSA-N 1 1 292.467 3.215 20 30 CGEDMO CCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC001115164199 802254238 /nfs/dbraw/zinc/25/42/38/802254238.db2.gz QWUFFKQHEWQQLF-VQFNDLOPSA-N 1 1 292.467 3.193 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001116350617 802334057 /nfs/dbraw/zinc/33/40/57/802334057.db2.gz HSJGEUYLJZIUHI-LBPRGKRZSA-N 1 1 275.783 3.495 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001116350617 802334067 /nfs/dbraw/zinc/33/40/67/802334067.db2.gz HSJGEUYLJZIUHI-LBPRGKRZSA-N 1 1 275.783 3.495 20 30 CGEDMO C=C(CC)C[N@H+](C)Cc1ccc(OCC)c(OC)c1 ZINC001116462115 802356908 /nfs/dbraw/zinc/35/69/08/802356908.db2.gz JCMWZNIVXZZFQT-UHFFFAOYSA-N 1 1 263.381 3.492 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC3CCC2CC3)c1C ZINC001116463417 802359053 /nfs/dbraw/zinc/35/90/53/802359053.db2.gz JLWWAHXNDYSUQP-UHFFFAOYSA-N 1 1 286.419 3.348 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CC3CCC2CC3)c1C ZINC001116463417 802359061 /nfs/dbraw/zinc/35/90/61/802359061.db2.gz JLWWAHXNDYSUQP-UHFFFAOYSA-N 1 1 286.419 3.348 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+]([C@H](C)c2cc(F)ccc2F)C1 ZINC001116542347 802374270 /nfs/dbraw/zinc/37/42/70/802374270.db2.gz RNKWRGFZCASNMF-DGCLKSJQSA-N 1 1 267.319 3.303 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)CCc1ccc(OC(F)(F)F)cc1 ZINC001116804614 802412756 /nfs/dbraw/zinc/41/27/56/802412756.db2.gz FMUHZBUPTWWFPG-NSHDSACASA-N 1 1 271.282 3.081 20 30 CGEDMO CCCCCCC[C@H](CCC)N1CCO[C@H](C[NH3+])C1 ZINC001172501867 808356998 /nfs/dbraw/zinc/35/69/98/808356998.db2.gz LMLOLFSGYVURIR-JKSUJKDBSA-N 1 1 270.461 3.175 20 30 CGEDMO Cc1ccn2cc(C[N@H+](C)[C@H](C)CCCC#N)nc2c1 ZINC001172501458 808357599 /nfs/dbraw/zinc/35/75/99/808357599.db2.gz DAALPGXOVJPSRW-CQSZACIVSA-N 1 1 270.380 3.157 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)cc1 ZINC001118321427 802549790 /nfs/dbraw/zinc/54/97/90/802549790.db2.gz OFOLCSFJFDNNPG-WMZOPIPTSA-N 1 1 298.430 3.489 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC001176009265 809601696 /nfs/dbraw/zinc/60/16/96/809601696.db2.gz KPIOZHYQUJMJCZ-BETUJISGSA-N 1 1 297.402 3.247 20 30 CGEDMO CCOc1ccc(C[N@@H+](C)C[C@@H](C)CCC#N)cc1OC ZINC001119292238 802643838 /nfs/dbraw/zinc/64/38/38/802643838.db2.gz ZKKRUBCCUWICAN-AWEZNQCLSA-N 1 1 290.407 3.466 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CCCF)C1 ZINC001120347252 802740438 /nfs/dbraw/zinc/74/04/38/802740438.db2.gz FQGSCGBKHRJNCO-JKSUJKDBSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)/C=C(/C)CC)C1 ZINC001120374102 802743473 /nfs/dbraw/zinc/74/34/73/802743473.db2.gz UZVWYPYTFXGDKM-HELSQHDTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)/C=C(\C)CC)C1 ZINC001120374103 802743802 /nfs/dbraw/zinc/74/38/02/802743802.db2.gz UZVWYPYTFXGDKM-IDGBWPAGSA-N 1 1 290.451 3.232 20 30 CGEDMO N#Cc1cc(CN[C@@H]2CCC[N@H+](C3CCCC3)C2)cs1 ZINC001256905387 807007482 /nfs/dbraw/zinc/00/74/82/807007482.db2.gz PQYVGCKFZICUOW-CQSZACIVSA-N 1 1 289.448 3.116 20 30 CGEDMO N#Cc1cc(C[NH2+][C@@H]2CCCN(C3CCCC3)C2)cs1 ZINC001256905387 807007491 /nfs/dbraw/zinc/00/74/91/807007491.db2.gz PQYVGCKFZICUOW-CQSZACIVSA-N 1 1 289.448 3.116 20 30 CGEDMO C#Cc1ccc(CN[C@H]2CCC[N@@H+](C3CCCC3)C2)cc1 ZINC001256903146 807005632 /nfs/dbraw/zinc/00/56/32/807005632.db2.gz YGWICTNWHOYPBS-SFHVURJKSA-N 1 1 282.431 3.165 20 30 CGEDMO C#Cc1ccc(CN[C@H]2CCC[N@H+](C3CCCC3)C2)cc1 ZINC001256903146 807005639 /nfs/dbraw/zinc/00/56/39/807005639.db2.gz YGWICTNWHOYPBS-SFHVURJKSA-N 1 1 282.431 3.165 20 30 CGEDMO CCCCCCCCCN(C)C(=O)c1cnc(C[NH3+])s1 ZINC001121933444 802852442 /nfs/dbraw/zinc/85/24/42/802852442.db2.gz TUSOQWVIMLGAFW-UHFFFAOYSA-N 1 1 297.468 3.424 20 30 CGEDMO C=C(CC)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001123656261 802960807 /nfs/dbraw/zinc/96/08/07/802960807.db2.gz CMLSEEBISBIBGS-DOTOQJQBSA-N 1 1 286.419 3.122 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](NC(=O)C2CC2)CC[C@H]1C ZINC001131730529 803337783 /nfs/dbraw/zinc/33/77/83/803337783.db2.gz MQLNEZWGIZIYKK-ZBFHGGJFSA-N 1 1 280.456 3.336 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCCC(C)C)C1 ZINC001131894614 803355513 /nfs/dbraw/zinc/35/55/13/803355513.db2.gz ACYWSUWVBKUBKS-JKSUJKDBSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC2CCCC2)C1 ZINC001131895741 803355858 /nfs/dbraw/zinc/35/58/58/803355858.db2.gz LNFFBEAIFLIPBY-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO CC#CC[N@H+]1C[C@@H](NC(=O)CCCC(C)(C)C)CC[C@H]1C ZINC001131943062 803360143 /nfs/dbraw/zinc/36/01/43/803360143.db2.gz JMNMVTAHTVKGQR-CVEARBPZSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)CCC2CCC2)CC[C@@H]1C ZINC001131942190 803360196 /nfs/dbraw/zinc/36/01/96/803360196.db2.gz ALVOPPXCVZGUCM-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)C=C2CCC2)CC[C@@H]1C ZINC001131954686 803361000 /nfs/dbraw/zinc/36/10/00/803361000.db2.gz DWLYNDLSHFDFCX-GOEBONIOSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)C2(CC(C)C)CCC2)CC[C@@H]1C ZINC001132168764 803376110 /nfs/dbraw/zinc/37/61/10/803376110.db2.gz FUKKJEUNJQWWPA-HOTGVXAUSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)CC(C)=C(C)C)CC[C@H]1C ZINC001132223940 803382333 /nfs/dbraw/zinc/38/23/33/803382333.db2.gz IGVFPDHIRWHCKT-HZPDHXFCSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C2(CC)CCC2)CC[C@@H]1C ZINC001132244047 803386078 /nfs/dbraw/zinc/38/60/78/803386078.db2.gz FBYDRRUQCSDIAB-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC2CCC2)C1 ZINC001132250097 803387024 /nfs/dbraw/zinc/38/70/24/803387024.db2.gz XEPZUPGVMUJGFH-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)CCCC2CC2)CC[C@@H]1C ZINC001132244912 803387168 /nfs/dbraw/zinc/38/71/68/803387168.db2.gz KXWZRXCDFMUCDL-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC3CC3)C2)CCC1 ZINC001132281467 803390653 /nfs/dbraw/zinc/39/06/53/803390653.db2.gz CIOZPXNGMWBOJP-HOCLYGCPSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)C(CC)(CC)CC)CC[C@@H]1C ZINC001132384857 803399403 /nfs/dbraw/zinc/39/94/03/803399403.db2.gz UUGVTRMQGGUSCS-GJZGRUSLSA-N 1 1 280.456 3.358 20 30 CGEDMO C#CC[N@H+]1C[C@H](NC(=O)C(C)(C)CC(C)(C)C)CC[C@H]1C ZINC001132505377 803408989 /nfs/dbraw/zinc/40/89/89/803408989.db2.gz RVVOYBMMVOACMG-HUUCEWRRSA-N 1 1 292.467 3.051 20 30 CGEDMO C#CC[N@@H+]1C[C@H](NC(=O)C(C)(C)CC(C)(C)C)CC[C@H]1C ZINC001132505377 803408995 /nfs/dbraw/zinc/40/89/95/803408995.db2.gz RVVOYBMMVOACMG-HUUCEWRRSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC)C2)CCCC1 ZINC001132546193 803413369 /nfs/dbraw/zinc/41/33/69/803413369.db2.gz JLSHJDPUAOBTRG-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1c[nH]c2cccc(F)c12 ZINC001136985070 803668388 /nfs/dbraw/zinc/66/83/88/803668388.db2.gz YNJZCDCCQVRZGT-UHFFFAOYSA-N 1 1 259.328 3.433 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1c[nH]c2cccc(F)c12 ZINC001136985070 803668390 /nfs/dbraw/zinc/66/83/90/803668390.db2.gz YNJZCDCCQVRZGT-UHFFFAOYSA-N 1 1 259.328 3.433 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Cl)nc1 ZINC001137168701 803692181 /nfs/dbraw/zinc/69/21/81/803692181.db2.gz NMFDDLKYZSHCGP-XYYAHUGASA-N 1 1 261.756 3.002 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)nc1 ZINC001137168701 803692185 /nfs/dbraw/zinc/69/21/85/803692185.db2.gz NMFDDLKYZSHCGP-XYYAHUGASA-N 1 1 261.756 3.002 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cc[nH]n2)cc1 ZINC001245311671 803697218 /nfs/dbraw/zinc/69/72/18/803697218.db2.gz BQKUNEGYAQCSJN-INIZCTEOSA-N 1 1 253.349 3.400 20 30 CGEDMO C=CC[N@H+](Cc1cc(C(=O)OC)ccc1OC)C(C)(C)C ZINC001137251711 803703647 /nfs/dbraw/zinc/70/36/47/803703647.db2.gz QKAXTMNINIOPAX-UHFFFAOYSA-N 1 1 291.391 3.268 20 30 CGEDMO Cc1c(C[N@@H+](C)Cc2cccc(C#N)c2)nc2ccccn12 ZINC001137275660 803707148 /nfs/dbraw/zinc/70/71/48/803707148.db2.gz GTANXPPNWUHITF-UHFFFAOYSA-N 1 1 290.370 3.146 20 30 CGEDMO Cc1c(C[N@H+](C)Cc2cccc(C#N)c2)nc2ccccn12 ZINC001137275660 803707153 /nfs/dbraw/zinc/70/71/53/803707153.db2.gz GTANXPPNWUHITF-UHFFFAOYSA-N 1 1 290.370 3.146 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@@](C)(F)CC2)c(C#N)c1 ZINC001137697929 803759009 /nfs/dbraw/zinc/75/90/09/803759009.db2.gz BQROOBYJHWFXEO-MRXNPFEDSA-N 1 1 276.355 3.281 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)c(C#N)c1 ZINC001137699448 803760468 /nfs/dbraw/zinc/76/04/68/803760468.db2.gz IHZPSTQIAKERBG-UONOGXRCSA-N 1 1 270.376 3.189 20 30 CGEDMO COc1ccc(C[N@@H+](C)CCc2cccc(F)c2)c(C#N)c1 ZINC001137706305 803762609 /nfs/dbraw/zinc/76/26/09/803762609.db2.gz WGCPHVRXJGGRLR-UHFFFAOYSA-N 1 1 298.361 3.380 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2ccc3ncccc3c2)CC1 ZINC001138111467 803856882 /nfs/dbraw/zinc/85/68/82/803856882.db2.gz APDSSKIPZFYWLU-AWEZNQCLSA-N 1 1 265.360 3.360 20 30 CGEDMO Cc1c(C[N@@H+]2CCC[C@H](C#N)C2)c2ccccc2n1C ZINC001138258079 803884622 /nfs/dbraw/zinc/88/46/22/803884622.db2.gz KOFHSSODIGNDPL-CQSZACIVSA-N 1 1 267.376 3.222 20 30 CGEDMO Cc1c(C[N@H+]2CCC[C@H](C#N)C2)c2ccccc2n1C ZINC001138258079 803884631 /nfs/dbraw/zinc/88/46/31/803884631.db2.gz KOFHSSODIGNDPL-CQSZACIVSA-N 1 1 267.376 3.222 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(N(CC)CC)cc1OC ZINC001138388954 803912609 /nfs/dbraw/zinc/91/26/09/803912609.db2.gz CCEPABPDOMZUCR-UHFFFAOYSA-N 1 1 262.397 3.159 20 30 CGEDMO COc1ccc2c(C[N@H+]3CCC[C@H](CC#N)C3)c[nH]c2c1 ZINC001138588026 803974114 /nfs/dbraw/zinc/97/41/14/803974114.db2.gz KFQSPTWGUQGSSU-CYBMUJFWSA-N 1 1 283.375 3.302 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CCc3cccc(O)c3C2)c1O ZINC001138630538 803984914 /nfs/dbraw/zinc/98/49/14/803984914.db2.gz YCKWYTNWNMBEIQ-UHFFFAOYSA-N 1 1 295.382 3.385 20 30 CGEDMO C=CCc1cccc(C[N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c1O ZINC001138629252 803986821 /nfs/dbraw/zinc/98/68/21/803986821.db2.gz SFFFCULKHBKXSV-SOUVJXGZSA-N 1 1 261.340 3.053 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1CC[C@H](COC)C1 ZINC001138661737 803995777 /nfs/dbraw/zinc/99/57/77/803995777.db2.gz FTBQVFQDBJFWJU-HNNXBMFYSA-N 1 1 275.392 3.110 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC001138662353 803996531 /nfs/dbraw/zinc/99/65/31/803996531.db2.gz VTBFPPRDGSFZHV-GOSISDBHSA-N 1 1 287.403 3.254 20 30 CGEDMO C=C(C)COc1ccccc1CN1CC[N@H+](CC)C[C@H]1C ZINC001138667143 804000554 /nfs/dbraw/zinc/00/05/54/804000554.db2.gz PRIUFPDZGYJQCD-MRXNPFEDSA-N 1 1 288.435 3.168 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccccc1N1CCC(O)CC1 ZINC001138762708 804031876 /nfs/dbraw/zinc/03/18/76/804031876.db2.gz IDVDSMGMRBCKIR-UHFFFAOYSA-N 1 1 288.435 3.046 20 30 CGEDMO C=CC[N@H+](C)Cc1cc(Br)ccc1OCC ZINC001138994198 804100788 /nfs/dbraw/zinc/10/07/88/804100788.db2.gz IRRYLBXTLGLXOC-UHFFFAOYSA-N 1 1 284.197 3.466 20 30 CGEDMO CCCCCCCCCC[C@H](O)CN(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246060134 804105377 /nfs/dbraw/zinc/10/53/77/804105377.db2.gz FTOLMSAXAZSTQU-WNRNVDISSA-N 1 1 296.499 3.028 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CC[C@@]2(CCCO2)C1 ZINC001139029419 804112725 /nfs/dbraw/zinc/11/27/25/804112725.db2.gz XMFIMAPPTPSWTB-KRWDZBQOSA-N 1 1 273.376 3.006 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C1CCCCC1 ZINC001139096897 804126300 /nfs/dbraw/zinc/12/63/00/804126300.db2.gz PHBPBMGCAJZKDC-UHFFFAOYSA-N 1 1 297.406 3.187 20 30 CGEDMO CCCCCCC[C@H](CC)NC[C@@]1(F)CC[NH2+]C1 ZINC001246145978 804166450 /nfs/dbraw/zinc/16/64/50/804166450.db2.gz MYBGGLDDXNLSCR-LSDHHAIUSA-N 1 1 258.425 3.417 20 30 CGEDMO CCCCCCC[C@H](CC)[NH2+]C[C@@]1(F)CCNC1 ZINC001246145978 804166459 /nfs/dbraw/zinc/16/64/59/804166459.db2.gz MYBGGLDDXNLSCR-LSDHHAIUSA-N 1 1 258.425 3.417 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1c(N)c(OC)ccc1OC ZINC001139277997 804172201 /nfs/dbraw/zinc/17/22/01/804172201.db2.gz PSJXQJXMTRNANP-UHFFFAOYSA-N 1 1 278.396 3.074 20 30 CGEDMO C=CC[N@H+](Cc1ccc(N(C)C)nc1)C1CCCCC1 ZINC001139460441 804191020 /nfs/dbraw/zinc/19/10/20/804191020.db2.gz JLZRDVYHJNRAJX-UHFFFAOYSA-N 1 1 273.424 3.468 20 30 CGEDMO N#Cc1ccc(C2CCC([NH2+][C@@H]3CCCC[C@H]3N)CC2)cc1 ZINC001246178946 804192507 /nfs/dbraw/zinc/19/25/07/804192507.db2.gz AKGADQWWFVSNFF-CSODTCANSA-N 1 1 297.446 3.444 20 30 CGEDMO Cc1cnc(Cl)c(C[N@@H+]2CCC[C@H](C#N)CC2)c1 ZINC001139591366 804215289 /nfs/dbraw/zinc/21/52/89/804215289.db2.gz RHMRZUBWNZNNFU-LBPRGKRZSA-N 1 1 263.772 3.169 20 30 CGEDMO Cc1cnc(Cl)c(C[N@H+]2CCC[C@H](C#N)CC2)c1 ZINC001139591366 804215298 /nfs/dbraw/zinc/21/52/98/804215298.db2.gz RHMRZUBWNZNNFU-LBPRGKRZSA-N 1 1 263.772 3.169 20 30 CGEDMO C#Cc1cccc(CNC2C[C@@H](CC)[NH2+][C@H](CC)C2)c1 ZINC001246261029 804242248 /nfs/dbraw/zinc/24/22/48/804242248.db2.gz CPVVSCBRSQVLFP-IAGOWNOFSA-N 1 1 270.420 3.067 20 30 CGEDMO C#Cc1cccc(CN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC001246262600 804244060 /nfs/dbraw/zinc/24/40/60/804244060.db2.gz ITEQXVIPLHLPAT-PMACEKPBSA-N 1 1 290.410 3.251 20 30 CGEDMO C#C[C@](C)(CC)N[C@@H]1CC[NH2+][C@H](c2ccc(F)cc2C)C1 ZINC001246264736 804245473 /nfs/dbraw/zinc/24/54/73/804245473.db2.gz LCFYTTUBGLMZIV-BPQIPLTHSA-N 1 1 288.410 3.319 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1c(C)nc2cc(C)ccn21 ZINC001139677609 804250619 /nfs/dbraw/zinc/25/06/19/804250619.db2.gz PNHMYEYBLIPDEC-UHFFFAOYSA-N 1 1 257.381 3.349 20 30 CGEDMO CCCCCCC[C@H](CC(C)C)N[C@]1(CCO)CC[NH2+]C1 ZINC001246294033 804261849 /nfs/dbraw/zinc/26/18/49/804261849.db2.gz LRWIPVAFDGKIEN-MSOLQXFVSA-N 1 1 298.515 3.466 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)cc1C#N ZINC001139722861 804267566 /nfs/dbraw/zinc/26/75/66/804267566.db2.gz JPWWMDYPFFWZKZ-IRXDYDNUSA-N 1 1 282.387 3.200 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)cc1C#N ZINC001139722861 804267574 /nfs/dbraw/zinc/26/75/74/804267574.db2.gz JPWWMDYPFFWZKZ-IRXDYDNUSA-N 1 1 282.387 3.200 20 30 CGEDMO CCCCCCC[C@@H](CC(C)C)[NH2+][C@H]1CCNC[C@@H]1O ZINC001246313678 804275412 /nfs/dbraw/zinc/27/54/12/804275412.db2.gz VOCMUWBPAQIYIY-ULQDDVLXSA-N 1 1 284.488 3.074 20 30 CGEDMO Cn1c(C[N@H+]2CCC[C@@H](C#N)CC2)cc2ccccc21 ZINC001139871850 804303305 /nfs/dbraw/zinc/30/33/05/804303305.db2.gz UDTWJQFNWSJMAS-CQSZACIVSA-N 1 1 267.376 3.304 20 30 CGEDMO N#Cc1cc(F)cc(C[N@H+]2CC[C@H](c3ccccn3)C2)c1 ZINC001139875153 804305866 /nfs/dbraw/zinc/30/58/66/804305866.db2.gz IPJBNGBGMAFCGR-HNNXBMFYSA-N 1 1 281.334 3.082 20 30 CGEDMO N#Cc1cc(F)cc(C[N@H+]2CCCC3(CCC3)C2)c1 ZINC001139878090 804307703 /nfs/dbraw/zinc/30/77/03/804307703.db2.gz AKMYBAJODOLOQV-UHFFFAOYSA-N 1 1 258.340 3.463 20 30 CGEDMO CC(C)[N@@H+](Cc1cc(F)cc(C#N)c1)C1CCOCC1 ZINC001139879572 804308054 /nfs/dbraw/zinc/30/80/54/804308054.db2.gz OFNGPFRGDQCWFJ-UHFFFAOYSA-N 1 1 276.355 3.087 20 30 CGEDMO CC[C@H](CC#N)N[C@H](c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001246393618 804320441 /nfs/dbraw/zinc/32/04/41/804320441.db2.gz WOGNZQRYXHWGTI-IAGOWNOFSA-N 1 1 289.398 3.148 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1ccnc(NC)n1 ZINC001140043239 804357880 /nfs/dbraw/zinc/35/78/80/804357880.db2.gz QPEBORRXPBNOEY-UHFFFAOYSA-N 1 1 282.391 3.097 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc(O)cc2Cl)C1 ZINC001140085531 804375906 /nfs/dbraw/zinc/37/59/06/804375906.db2.gz QPPNNEAZUDJNCK-LLVKDONJSA-N 1 1 264.756 3.171 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2ccc(O)cc2Cl)C1 ZINC001140085531 804375914 /nfs/dbraw/zinc/37/59/14/804375914.db2.gz QPPNNEAZUDJNCK-LLVKDONJSA-N 1 1 264.756 3.171 20 30 CGEDMO N#Cc1ccc2[nH]cc(C[N@H+]3CC[C@@H]4OCCC[C@@H]4C3)c2c1 ZINC001140112470 804381184 /nfs/dbraw/zinc/38/11/84/804381184.db2.gz VJZCPGOPAVHUEI-KDOFPFPSSA-N 1 1 295.386 3.040 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cnc(OC)c(Br)c1 ZINC001140166561 804391725 /nfs/dbraw/zinc/39/17/25/804391725.db2.gz MJAMFSBXESHDGK-UHFFFAOYSA-N 1 1 299.212 3.251 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@H](CC#N)C2)c(C)cc1O ZINC001140201639 804400536 /nfs/dbraw/zinc/40/05/36/804400536.db2.gz UISZQZCTAQDJSE-CQSZACIVSA-N 1 1 258.365 3.135 20 30 CGEDMO CCCCCCCCC[C@H](C)[N@@H+](C)C[C@H]1CNCCO1 ZINC001246562185 804412138 /nfs/dbraw/zinc/41/21/38/804412138.db2.gz YYHVRJCHUSWLFA-DLBZAZTESA-N 1 1 284.488 3.436 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CCC(F)(F)[C@@H](N)C1 ZINC001246584846 804428322 /nfs/dbraw/zinc/42/83/22/804428322.db2.gz VFIGWVUJDVBQNK-STQMWFEESA-N 1 1 262.388 3.404 20 30 CGEDMO CCCCCCCC[C@@H](CC)[N@H+]1CCOC2(CNC2)C1 ZINC001246616559 804452182 /nfs/dbraw/zinc/45/21/82/804452182.db2.gz BGDVZXHJYCZYAD-MRXNPFEDSA-N 1 1 282.472 3.190 20 30 CGEDMO CCCCCCCC[C@@H](CC)N1CCOC2(C[NH2+]C2)C1 ZINC001246616559 804452186 /nfs/dbraw/zinc/45/21/86/804452186.db2.gz BGDVZXHJYCZYAD-MRXNPFEDSA-N 1 1 282.472 3.190 20 30 CGEDMO CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(C#N)nc1 ZINC001140545962 804458608 /nfs/dbraw/zinc/45/86/08/804458608.db2.gz RDMFPXOLSGYARP-GOSISDBHSA-N 1 1 277.371 3.463 20 30 CGEDMO CC1(C)C[N@@H+](Cc2cc(C#N)ccc2Cl)[C@@](C)(CO)C1 ZINC001140600477 804471389 /nfs/dbraw/zinc/47/13/89/804471389.db2.gz LAFGFDUEMYENCQ-MRXNPFEDSA-N 1 1 292.810 3.195 20 30 CGEDMO Cc1c(Cl)c(C#N)ccc1Nc1ccc[nH+]c1N ZINC001212405669 815020821 /nfs/dbraw/zinc/02/08/21/815020821.db2.gz HPNUDGINQSZYPA-UHFFFAOYSA-N 1 1 258.712 3.241 20 30 CGEDMO CC1(C#N)CC[NH+](Cc2cc(Cl)ccc2N)CC1 ZINC001140717558 804495755 /nfs/dbraw/zinc/49/57/55/804495755.db2.gz DKYZPUVPKPZRIY-UHFFFAOYSA-N 1 1 263.772 3.048 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2cc(F)c(C#N)c(F)c2)C1 ZINC001140751123 804504671 /nfs/dbraw/zinc/50/46/71/804504671.db2.gz KGPHNGSDOMQPHH-JTQLQIEISA-N 1 1 250.292 3.068 20 30 CGEDMO CC[C@@H]1CC(N(C)Cc2ccc(C#N)cc2)C[C@@H](CC)[NH2+]1 ZINC001246771257 804505249 /nfs/dbraw/zinc/50/52/49/804505249.db2.gz XLKKUJCDPWOIDE-IAGOWNOFSA-N 1 1 285.435 3.299 20 30 CGEDMO CC1(C#N)CCN([C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256919395 807010983 /nfs/dbraw/zinc/01/09/83/807010983.db2.gz DPCSVHISHLBIOI-INIZCTEOSA-N 1 1 275.440 3.019 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2Cl)CC[C@@]1(C)O ZINC001140808252 804525584 /nfs/dbraw/zinc/52/55/84/804525584.db2.gz NORONLKCQBYPPI-MLGOLLRUSA-N 1 1 292.810 3.195 20 30 CGEDMO N#CC1CCC([N@H+]2CC[C@@H](Oc3ccccc3)C2)CC1 ZINC001256968258 807019244 /nfs/dbraw/zinc/01/92/44/807019244.db2.gz CPKRFDZCAHZZDF-VMBOVVBDSA-N 1 1 270.376 3.222 20 30 CGEDMO CC[N@@H+](Cc1sc(N)c(C#N)c1Cl)C(C)C ZINC001141109000 804591436 /nfs/dbraw/zinc/59/14/36/804591436.db2.gz LHAIHTLPTTZOCX-UHFFFAOYSA-N 1 1 257.790 3.086 20 30 CGEDMO CC[C@@H]1CC[N@@H+](Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141113479 804592534 /nfs/dbraw/zinc/59/25/34/804592534.db2.gz IQIQSAICJMBPHH-MRVPVSSYSA-N 1 1 269.801 3.087 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H](F)CC1 ZINC001141164106 804601625 /nfs/dbraw/zinc/60/16/25/804601625.db2.gz KHGLOAUEAKEDHF-ZDUSSCGKSA-N 1 1 250.292 3.021 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](F)CC1 ZINC001141164106 804601626 /nfs/dbraw/zinc/60/16/26/804601626.db2.gz KHGLOAUEAKEDHF-ZDUSSCGKSA-N 1 1 250.292 3.021 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2ccc3cc(F)ccc3n2)CC1 ZINC001141648715 804661715 /nfs/dbraw/zinc/66/17/15/804661715.db2.gz BLFFKUMZVMLXTG-ZDUSSCGKSA-N 1 1 283.350 3.500 20 30 CGEDMO CCCCCCCCNC(=S)NC[C@@H]1CCC[N@@H+](C)C1 ZINC001247167146 804672459 /nfs/dbraw/zinc/67/24/59/804672459.db2.gz WKJUFLWEERIRBW-HNNXBMFYSA-N 1 1 299.528 3.153 20 30 CGEDMO Cn1cc2c(cccc2C[N@@H+](CCC#N)C2CCCC2)n1 ZINC001142457068 804725139 /nfs/dbraw/zinc/72/51/39/804725139.db2.gz YWEBGUJTKCIDGS-UHFFFAOYSA-N 1 1 282.391 3.232 20 30 CGEDMO CC[C@H]([NH3+])c1nc(-c2ccc(C(C)(C)C)cc2C#N)no1 ZINC001247492992 804751640 /nfs/dbraw/zinc/75/16/40/804751640.db2.gz VWUFHLCLATUKBN-ZDUSSCGKSA-N 1 1 284.363 3.316 20 30 CGEDMO N#C[C@@H]1CCC[N@H+]([C@@H]2CCO[C@@H](c3ccccc3)C2)C1 ZINC001256820633 806985154 /nfs/dbraw/zinc/98/51/54/806985154.db2.gz KGDNYGDLSITQPP-USXIJHARSA-N 1 1 270.376 3.142 20 30 CGEDMO C=CC[N@H+](Cc1cnn(C(=O)OC(C)(C)C)c1)C(C)(C)C ZINC001142805585 804772037 /nfs/dbraw/zinc/77/20/37/804772037.db2.gz JTJTUUJOJRUZBC-UHFFFAOYSA-N 1 1 293.411 3.453 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH3+])c1nc(-c2cccc(C)c2Cl)no1 ZINC001247621227 804780917 /nfs/dbraw/zinc/78/09/17/804780917.db2.gz JZUWWWRIPDXPBN-YMTOWFKASA-N 1 1 275.739 3.058 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH3+])c1nc(-c2ccc(C(C)C)cc2)no1 ZINC001247621499 804781107 /nfs/dbraw/zinc/78/11/07/804781107.db2.gz RZHMCYAEHBYSIP-CZUORRHYSA-N 1 1 269.348 3.220 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccc(CC(=O)OC)cc1 ZINC001142910661 804782085 /nfs/dbraw/zinc/78/20/85/804782085.db2.gz JBASUMGYSUMPGR-UHFFFAOYSA-N 1 1 275.392 3.190 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2cccc(C)c2F)no1 ZINC001247622041 804782862 /nfs/dbraw/zinc/78/28/62/804782862.db2.gz DBPBETBMFARSJK-NSHDSACASA-N 1 1 261.300 3.150 20 30 CGEDMO N#Cc1ccc2c(C[N@@H+]3CC[C@H](C(F)(F)F)C3)c[nH]c2c1 ZINC001142921926 804784617 /nfs/dbraw/zinc/78/46/17/804784617.db2.gz ZGYIYLQPLGHHHQ-LBPRGKRZSA-N 1 1 293.292 3.424 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2cc(OC)ccc2Cl)no1 ZINC001247622961 804784622 /nfs/dbraw/zinc/78/46/22/804784622.db2.gz SXXZXDAASJMGAS-LBPRGKRZSA-N 1 1 293.754 3.365 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2cc(C(C)(C)C)ccn2)no1 ZINC001247624333 804785862 /nfs/dbraw/zinc/78/58/62/804785862.db2.gz RBOAKTLSRWOQFL-LBPRGKRZSA-N 1 1 286.379 3.395 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1c(C)cc(OC)cc1C ZINC001142934846 804786674 /nfs/dbraw/zinc/78/66/74/804786674.db2.gz DZARYXJAKLCZDN-UHFFFAOYSA-N 1 1 260.381 3.438 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1c(C)cc(OC)cc1C ZINC001142934846 804786678 /nfs/dbraw/zinc/78/66/78/804786678.db2.gz DZARYXJAKLCZDN-UHFFFAOYSA-N 1 1 260.381 3.438 20 30 CGEDMO N#Cc1ccc(-c2noc(C3([NH3+])CCC3)n2)c2ccccc12 ZINC001247720581 804804039 /nfs/dbraw/zinc/80/40/39/804804039.db2.gz OHALUNMNKKFRFT-UHFFFAOYSA-N 1 1 290.326 3.099 20 30 CGEDMO C[N@H+](Cc1c(F)ccc(C#N)c1F)C1CCCC1 ZINC001143173327 804813797 /nfs/dbraw/zinc/81/37/97/804813797.db2.gz XLKUPZURUWRYMN-UHFFFAOYSA-N 1 1 250.292 3.211 20 30 CGEDMO C[N@@H+](Cc1c(F)ccc(C#N)c1F)C1CCCC1 ZINC001143173327 804813801 /nfs/dbraw/zinc/81/38/01/804813801.db2.gz XLKUPZURUWRYMN-UHFFFAOYSA-N 1 1 250.292 3.211 20 30 CGEDMO C[C@@H]1C[C@@H](C)C[NH+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143174104 804815641 /nfs/dbraw/zinc/81/56/41/804815641.db2.gz LZHHBVHEYVKAEN-GHMZBOCLSA-N 1 1 264.319 3.314 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2ccc(F)c(CC)c2)no1 ZINC001247962620 804857839 /nfs/dbraw/zinc/85/78/39/804857839.db2.gz CCFUVEKCJWEMBT-LBPRGKRZSA-N 1 1 261.300 3.014 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2cc(C)ccc2Cl)no1 ZINC001247966824 804858750 /nfs/dbraw/zinc/85/87/50/804858750.db2.gz GVNUZRQEQVBGCP-NSHDSACASA-N 1 1 263.728 3.274 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2c(Cl)cccc2C#N)CCC[C@]1(C)O ZINC001143717296 804886841 /nfs/dbraw/zinc/88/68/41/804886841.db2.gz BHQXVUBHTRFPLZ-LRDDRELGSA-N 1 1 292.810 3.195 20 30 CGEDMO N#Cc1cccc(Cl)c1C[N@H+]1C[C@@H]2C(=O)CCC[C@@H]2C1 ZINC001143734358 804889881 /nfs/dbraw/zinc/88/98/81/804889881.db2.gz LBJUYFBIYVINGH-OCCSQVGLSA-N 1 1 288.778 3.013 20 30 CGEDMO N#Cc1cccc(Cl)c1C[N@@H+]1C[C@@H]2C(=O)CCC[C@@H]2C1 ZINC001143734358 804889886 /nfs/dbraw/zinc/88/98/86/804889886.db2.gz LBJUYFBIYVINGH-OCCSQVGLSA-N 1 1 288.778 3.013 20 30 CGEDMO COc1c(F)cc(C[NH+]2CCC(S)CC2)cc1Cl ZINC001143848310 804900818 /nfs/dbraw/zinc/90/08/18/804900818.db2.gz UIIHRPJGNLSLRD-UHFFFAOYSA-N 1 1 289.803 3.382 20 30 CGEDMO C#CC[NH+](CC#C)Cc1cccc(C(F)(F)F)c1C ZINC001143929400 804909278 /nfs/dbraw/zinc/90/92/78/804909278.db2.gz JODXPWBECBEWIU-UHFFFAOYSA-N 1 1 265.278 3.082 20 30 CGEDMO CCc1cc(C[N@H+](CC)CCC#N)cc(CC)c1O ZINC001144147950 804944905 /nfs/dbraw/zinc/94/49/05/804944905.db2.gz IQLYLAITRZPAPH-UHFFFAOYSA-N 1 1 260.381 3.253 20 30 CGEDMO CCc1cc(C[N@@H+](CC)CCC#N)cc(CC)c1O ZINC001144147950 804944908 /nfs/dbraw/zinc/94/49/08/804944908.db2.gz IQLYLAITRZPAPH-UHFFFAOYSA-N 1 1 260.381 3.253 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)nc1 ZINC001144166850 804946877 /nfs/dbraw/zinc/94/68/77/804946877.db2.gz ZKYOGRMTELGZQE-GASCZTMLSA-N 1 1 275.355 3.040 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C)[C@](C)(O)CC1 ZINC001248748456 804982101 /nfs/dbraw/zinc/98/21/01/804982101.db2.gz KFOCMVAPSRZDLN-RDTXWAMCSA-N 1 1 286.419 3.104 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCC[C@](C)(O)[C@@H](C)C1 ZINC001248748727 804983107 /nfs/dbraw/zinc/98/31/07/804983107.db2.gz UMEUDUQSVGEDBO-KSSFIOAISA-N 1 1 286.419 3.104 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc(OC)c(Cl)c2OC)C1 ZINC001248799527 804995433 /nfs/dbraw/zinc/99/54/33/804995433.db2.gz HRDCHQCSYAZEBY-LBPRGKRZSA-N 1 1 293.794 3.202 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(OC)c(Cl)c2OC)C1 ZINC001248799527 804995438 /nfs/dbraw/zinc/99/54/38/804995438.db2.gz HRDCHQCSYAZEBY-LBPRGKRZSA-N 1 1 293.794 3.202 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1c(O)cc(O)cc1O ZINC001144509564 804997381 /nfs/dbraw/zinc/99/73/81/804997381.db2.gz ZMOSVCMSHRGNGY-UHFFFAOYSA-N 1 1 299.370 3.382 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC[C@@H](CC(=O)OCC)[C@@H](C)C2)cc1 ZINC001144580497 805010361 /nfs/dbraw/zinc/01/03/61/805010361.db2.gz DQAMDZZTNQCMDC-YJBOKZPZSA-N 1 1 299.414 3.079 20 30 CGEDMO C=CC[N@H+](C)Cc1[nH]nc2cc(C(F)(F)F)ccc21 ZINC001248846539 805022243 /nfs/dbraw/zinc/02/22/43/805022243.db2.gz ALVIRIYNJOZZAR-UHFFFAOYSA-N 1 1 269.270 3.200 20 30 CGEDMO C=CCCCCC[N@H+]1CCC2(CN(C(=O)C3CCC3)C2)C1 ZINC001146871883 805093769 /nfs/dbraw/zinc/09/37/69/805093769.db2.gz ONUJUKAGPKUSIY-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2csc(-c3ccncc3)n2)C1 ZINC001249299358 805129066 /nfs/dbraw/zinc/12/90/66/805129066.db2.gz PJIBGWXFAGIEKP-CYBMUJFWSA-N 1 1 283.400 3.050 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2csc(-c3ccncc3)n2)C1 ZINC001249299358 805129072 /nfs/dbraw/zinc/12/90/72/805129072.db2.gz PJIBGWXFAGIEKP-CYBMUJFWSA-N 1 1 283.400 3.050 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)/C=C(/C)CC)C2)C1 ZINC001147491372 805134267 /nfs/dbraw/zinc/13/42/67/805134267.db2.gz WUHUDDVEYLDLLU-QZFKAFNDSA-N 1 1 290.451 3.232 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2cc3ccc(C#N)cc3[nH]2)C1 ZINC001249426090 805144044 /nfs/dbraw/zinc/14/40/44/805144044.db2.gz DKRSZNFCYPPXEP-LBPRGKRZSA-N 1 1 253.349 3.271 20 30 CGEDMO N#Cc1ccc2cc(C[N@H+]3CC[C@@H]4OCCC[C@@H]4C3)[nH]c2c1 ZINC001249426325 805146470 /nfs/dbraw/zinc/14/64/70/805146470.db2.gz MIRCUIIBOZQWMZ-QAPCUYQASA-N 1 1 295.386 3.040 20 30 CGEDMO N#Cc1ccc2cc(C[N@@H+]3CCC[C@@H](CF)C3)[nH]c2c1 ZINC001249428906 805146740 /nfs/dbraw/zinc/14/67/40/805146740.db2.gz GPFINZMMXSSOAL-ZDUSSCGKSA-N 1 1 271.339 3.221 20 30 CGEDMO CC(C)[N@@H+](CCCCCO)Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249430403 805148439 /nfs/dbraw/zinc/14/84/39/805148439.db2.gz QDIUKWYSVKZBGC-UHFFFAOYSA-N 1 1 299.418 3.413 20 30 CGEDMO C=C/C(C)=C\CC(=O)N1CC2(C1)CC[N@H+](CCC(=C)C)C2 ZINC001148088377 805162327 /nfs/dbraw/zinc/16/23/27/805162327.db2.gz LWNHOFIJLIENEI-SOFYXZRVSA-N 1 1 288.435 3.009 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC2(C1)CC[N@H+](CC=C(C)C)C2 ZINC001148370627 805177351 /nfs/dbraw/zinc/17/73/51/805177351.db2.gz CARQZMAKGOFXDI-UHFFFAOYSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)[C@H](C)CC(C)(C)C)C2)C1 ZINC001148395696 805178672 /nfs/dbraw/zinc/17/86/72/805178672.db2.gz CLFPPIZAWOUNNE-OAHLLOKOSA-N 1 1 292.467 3.169 20 30 CGEDMO N#Cc1nc(Cl)ccc1Nc1cc[nH+]cc1C(F)(F)F ZINC001249584115 805180749 /nfs/dbraw/zinc/18/07/49/805180749.db2.gz QFEKUFMVELVVSI-UHFFFAOYSA-N 1 1 298.655 3.186 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)CC[C@H](C)CC)C2)C1 ZINC001148484599 805188264 /nfs/dbraw/zinc/18/82/64/805188264.db2.gz JTGTZHCZJPJWNK-CYBMUJFWSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)CC[C@H](C)CC)C2)C1 ZINC001148484599 805188267 /nfs/dbraw/zinc/18/82/67/805188267.db2.gz JTGTZHCZJPJWNK-CYBMUJFWSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C1CCCCC1 ZINC001151637187 805303066 /nfs/dbraw/zinc/30/30/66/805303066.db2.gz BRTINMCBTPWCKP-CYBMUJFWSA-N 1 1 286.847 3.146 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C1CCCCC1 ZINC001151637187 805303075 /nfs/dbraw/zinc/30/30/75/805303075.db2.gz BRTINMCBTPWCKP-CYBMUJFWSA-N 1 1 286.847 3.146 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1cccc(C)c1 ZINC001151684428 805306348 /nfs/dbraw/zinc/30/63/48/805306348.db2.gz FKAPSWFUUIPNJI-OAHLLOKOSA-N 1 1 274.408 3.011 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)CC(C)(C)C ZINC001151938057 805322447 /nfs/dbraw/zinc/32/24/47/805322447.db2.gz XOABLISTZJSGCF-GFCCVEGCSA-N 1 1 274.836 3.002 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)CC(C)(C)C ZINC001151938057 805322439 /nfs/dbraw/zinc/32/24/39/805322439.db2.gz XOABLISTZJSGCF-GFCCVEGCSA-N 1 1 274.836 3.002 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)CCCC ZINC001153084913 805383021 /nfs/dbraw/zinc/38/30/21/805383021.db2.gz VOAGPSSHPVHLIA-GXTWGEPZSA-N 1 1 288.863 3.392 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)CCCC ZINC001153084913 805383031 /nfs/dbraw/zinc/38/30/31/805383031.db2.gz VOAGPSSHPVHLIA-GXTWGEPZSA-N 1 1 288.863 3.392 20 30 CGEDMO C=CCC(CC=C)C(=O)NC[C@@H](C)[N@@H+](CC)CC[C@H](C)F ZINC001153569988 805403028 /nfs/dbraw/zinc/40/30/28/805403028.db2.gz GOQOAEJWWLWTAH-LSDHHAIUSA-N 1 1 298.446 3.330 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1csc(C)c1C ZINC001153562214 805403048 /nfs/dbraw/zinc/40/30/48/805403048.db2.gz ZUUOBOUYJHKWKF-GFCCVEGCSA-N 1 1 294.464 3.381 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)CCCCC(C)(C)C ZINC001153580277 805404661 /nfs/dbraw/zinc/40/46/61/805404661.db2.gz DSECUSMAIAAHLD-MRXNPFEDSA-N 1 1 294.483 3.443 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H](C)[N@@H+](CC)CCC(C)C ZINC001153609016 805406974 /nfs/dbraw/zinc/40/69/74/805406974.db2.gz UELMPXOHUXBKPG-OAHLLOKOSA-N 1 1 282.472 3.461 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)C1(CC(C)C)CC1 ZINC001153779597 805414639 /nfs/dbraw/zinc/41/46/39/805414639.db2.gz AWMJKISERZWGOA-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)C1(C)CCCCCC1 ZINC001153859001 805419708 /nfs/dbraw/zinc/41/97/08/805419708.db2.gz XPARSEKNKSNEDT-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H]1C=CCCC1 ZINC001153990571 805424658 /nfs/dbraw/zinc/42/46/58/805424658.db2.gz KLGWQMIRTVFEMX-HZPDHXFCSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)C(C)(C)C ZINC001154609501 805467171 /nfs/dbraw/zinc/46/71/71/805467171.db2.gz JJDPBGUSAFIGEX-CQSZACIVSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CCCCC(=O)NC[C@@H](C)[N@@H+](CC)CC1CC(C)C1 ZINC001154928296 805509958 /nfs/dbraw/zinc/50/99/58/805509958.db2.gz VVEUUSDDGKRQTL-HWOWSKLDSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)C1CCC(=C)CC1 ZINC001155028285 805526176 /nfs/dbraw/zinc/52/61/76/805526176.db2.gz WJTZJTLJZOBBIK-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)CC(C)C)CC1 ZINC001155028115 805526271 /nfs/dbraw/zinc/52/62/71/805526271.db2.gz MWLGBMUBRLCWNR-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H](C)[N@@H+](CC)CC(C)C)CCC1 ZINC001155051087 805529290 /nfs/dbraw/zinc/52/92/90/805529290.db2.gz AHQRZCOUFCHBOR-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@]12C[C@H]1CCCC2 ZINC001155120469 805542535 /nfs/dbraw/zinc/54/25/35/805542535.db2.gz SDBWWUITYLIDOP-JFIYKMOQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCOCc1nn(C)c2c1C[N@@H+]([C@@H](CC)CCC)CC2 ZINC001257261419 807078262 /nfs/dbraw/zinc/07/82/62/807078262.db2.gz VFRCDFVIMKJSGT-AWEZNQCLSA-N 1 1 291.439 3.060 20 30 CGEDMO C=CCN1C(=O)CC[C@@]12CCC[N@H+](C(CC)CC)CC2 ZINC001257298145 807091695 /nfs/dbraw/zinc/09/16/95/807091695.db2.gz HZQAKWHWTSGMLS-QGZVFWFLSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+](C(CC)CC)C2 ZINC001257296360 807092765 /nfs/dbraw/zinc/09/27/65/807092765.db2.gz LHOMUDKLEWTGRY-QGZVFWFLSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+]([C@@H](C)CCC)C2 ZINC001257318629 807104845 /nfs/dbraw/zinc/10/48/45/807104845.db2.gz GBTGFZLJTUWRQH-GVDBMIGSSA-N 1 1 281.440 3.249 20 30 CGEDMO COc1ccc(CCN(C)c2ccc(CC#N)c(C)[nH+]2)cc1 ZINC001166825999 807107353 /nfs/dbraw/zinc/10/73/53/807107353.db2.gz MCXOXLGWMWDOGI-UHFFFAOYSA-N 1 1 295.386 3.144 20 30 CGEDMO CCCCOC(=O)CC[C@@H](C)[N@H+]1CCC[C@H](C#N)CC1 ZINC001257400209 807138875 /nfs/dbraw/zinc/13/88/75/807138875.db2.gz LLRFDTGGYGRPHO-CABCVRRESA-N 1 1 280.412 3.124 20 30 CGEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](C1CCCCC1)C2 ZINC001257457492 807167038 /nfs/dbraw/zinc/16/70/38/807167038.db2.gz HUXCAFAODUPARM-IRXDYDNUSA-N 1 1 279.424 3.145 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1c1ccc(NCc2cncnc2)cc1 ZINC001167268761 807173352 /nfs/dbraw/zinc/17/33/52/807173352.db2.gz ZMQTUQRRAVYGBL-GOSISDBHSA-N 1 1 294.402 3.412 20 30 CGEDMO CCCCCCCCCC[C@@H](C)[N@H+]1CCO[C@@H](C(N)=O)C1 ZINC001257550157 807196492 /nfs/dbraw/zinc/19/64/92/807196492.db2.gz JUKYIRHZOYSFTM-HZPDHXFCSA-N 1 1 298.471 3.092 20 30 CGEDMO C[C@H](Cc1ccc(Br)cc1)[N@H+]1CC[C@@H](C#N)C1 ZINC001257563533 807198304 /nfs/dbraw/zinc/19/83/04/807198304.db2.gz GKUMRNOFJIQCAY-YPMHNXCESA-N 1 1 293.208 3.226 20 30 CGEDMO C#CCCCCCC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)OC ZINC001167717390 807233518 /nfs/dbraw/zinc/23/35/18/807233518.db2.gz PQMQXLNMVZRKKA-GOSISDBHSA-N 1 1 299.414 3.170 20 30 CGEDMO C#CCCCCCC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)OC ZINC001167717390 807233525 /nfs/dbraw/zinc/23/35/25/807233525.db2.gz PQMQXLNMVZRKKA-GOSISDBHSA-N 1 1 299.414 3.170 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+](C)Cc3ccncn3)C[C@H](C1)C2 ZINC001257893810 807243838 /nfs/dbraw/zinc/24/38/38/807243838.db2.gz ACYUPBMZJBETRH-MZBDJJRSSA-N 1 1 257.381 3.043 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3C[C@@H]4COC[C@H](C3)C4(F)F)C[C@H](C1)C2 ZINC001257895275 807245037 /nfs/dbraw/zinc/24/50/37/807245037.db2.gz OAEXRSHDOPSKOM-GJZITSJHSA-N 1 1 297.389 3.335 20 30 CGEDMO N#CCC[N@@H+](C1CCCC1)C1CCC2(COC2)CC1 ZINC001257909679 807249696 /nfs/dbraw/zinc/24/96/96/807249696.db2.gz LIMBSJKGUSHMFT-UHFFFAOYSA-N 1 1 262.397 3.104 20 30 CGEDMO Cc1[nH+]c(N)ccc1CNc1ccc2nc(C#N)ccc2c1 ZINC001167786601 807252563 /nfs/dbraw/zinc/25/25/63/807252563.db2.gz GMDDILPXLFDQSI-UHFFFAOYSA-N 1 1 289.342 3.004 20 30 CGEDMO CCCCCCC[C@H](C)[NH2+]C1(C(=O)OC)CCOCC1 ZINC001258040743 807271644 /nfs/dbraw/zinc/27/16/44/807271644.db2.gz HZDUXGVUMKSURO-AWEZNQCLSA-N 1 1 285.428 3.047 20 30 CGEDMO CCCCCCC[C@@H](C)[NH2+]CCNC(=O)C(F)(F)F ZINC001258042569 807272112 /nfs/dbraw/zinc/27/21/12/807272112.db2.gz QKECDADVZJRGBN-LLVKDONJSA-N 1 1 282.350 3.004 20 30 CGEDMO C=C(C)CCc1ccccc1NC(=N)SCC[NH3+] ZINC001167915043 807272674 /nfs/dbraw/zinc/27/26/74/807272674.db2.gz PZLVRYHLOMIOPE-UHFFFAOYSA-N 1 1 263.410 3.234 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CC[C@@H](C(=O)OC)C1 ZINC001258044589 807274231 /nfs/dbraw/zinc/27/42/31/807274231.db2.gz RLBBXRQRCZBWEL-UONOGXRCSA-N 1 1 255.402 3.230 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1CCC(O)=C(C(=O)OCC)C1 ZINC001258044769 807274420 /nfs/dbraw/zinc/27/44/20/807274420.db2.gz UWGFUDZOWKGIJD-CABCVRRESA-N 1 1 297.439 3.190 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1CCOC[C@H]1COC ZINC001258049738 807276021 /nfs/dbraw/zinc/27/60/21/807276021.db2.gz NYKWUTZJAJJFPY-HUUCEWRRSA-N 1 1 257.418 3.083 20 30 CGEDMO CCCCCCC[C@@H](C)[N@@H+]1CCO[C@@H](C(C)=O)C1 ZINC001258051215 807276490 /nfs/dbraw/zinc/27/64/90/807276490.db2.gz CJEKWYHEOHBOHV-UKRRQHHQSA-N 1 1 255.402 3.025 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1CCO[C@@H](C(C)=O)C1 ZINC001258051215 807276494 /nfs/dbraw/zinc/27/64/94/807276494.db2.gz CJEKWYHEOHBOHV-UKRRQHHQSA-N 1 1 255.402 3.025 20 30 CGEDMO CCCCCCCCCCC[C@H](C)[NH2+]C[C@@H](O)CN ZINC001258052907 807279164 /nfs/dbraw/zinc/27/91/64/807279164.db2.gz VJDDGCCJAVXMKH-HOTGVXAUSA-N 1 1 272.477 3.205 20 30 CGEDMO C[C@H]1CC([NH2+]C2CC(C#N)C2)C[C@H](C)N1Cc1ccccc1 ZINC001168033498 807300286 /nfs/dbraw/zinc/30/02/86/807300286.db2.gz LNLWQKYRZQYKAL-KRIWPVKQSA-N 1 1 297.446 3.320 20 30 CGEDMO C[C@H]1CC(NC2CC(C#N)C2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168033498 807300294 /nfs/dbraw/zinc/30/02/94/807300294.db2.gz LNLWQKYRZQYKAL-KRIWPVKQSA-N 1 1 297.446 3.320 20 30 CGEDMO CCCCCCCCC[C@@H](C)[NH2+][C@@](N)(CC)CO ZINC001258230995 807378800 /nfs/dbraw/zinc/37/88/00/807378800.db2.gz FQBLVGYJHQAXEZ-CABCVRRESA-N 1 1 258.450 3.163 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](C[C@H]2CCCC23CCOCC3)C1 ZINC001168384507 807399422 /nfs/dbraw/zinc/39/94/22/807399422.db2.gz ZPLMNRXMSSRLBQ-CVEARBPZSA-N 1 1 276.424 3.209 20 30 CGEDMO N#C[C@H]1CCC[N@H+]([C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168440050 807415175 /nfs/dbraw/zinc/41/51/75/807415175.db2.gz FOANARDZJXOJDO-SUMWQHHRSA-N 1 1 272.367 3.309 20 30 CGEDMO COc1ccc(CC[C@@H](C)[N@H+]2CC[C@](C)(C#N)C2)cc1 ZINC001258405674 807441113 /nfs/dbraw/zinc/44/11/13/807441113.db2.gz IWIMGDUNPWJTID-RHSMWYFYSA-N 1 1 272.392 3.252 20 30 CGEDMO C[N@@H+](CCC#N)C1CCN(c2ccccc2Cl)CC1 ZINC001258541383 807491393 /nfs/dbraw/zinc/49/13/93/807491393.db2.gz JRSDSHOZJFXFOC-UHFFFAOYSA-N 1 1 277.799 3.154 20 30 CGEDMO C=C(C)C[N@H+](CC)C1CCC(C)(C(=O)OC)CC1 ZINC001168789015 807513267 /nfs/dbraw/zinc/51/32/67/807513267.db2.gz CVVVJOIRCSIKRN-UHFFFAOYSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001258725553 807573426 /nfs/dbraw/zinc/57/34/26/807573426.db2.gz MHAHDTDBAMCCAP-SDDRHHMPSA-N 1 1 283.309 3.068 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001258725787 807573582 /nfs/dbraw/zinc/57/35/82/807573582.db2.gz NEOONITWKCDUEW-KGLIPLIRSA-N 1 1 282.428 3.330 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)OC(C)(C)C ZINC001258726615 807574925 /nfs/dbraw/zinc/57/49/25/807574925.db2.gz VCYCTEVWTPQNSA-ZDUSSCGKSA-N 1 1 270.417 3.140 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@]2(C1)COCCN(C(C)C)C2 ZINC001258727604 807574884 /nfs/dbraw/zinc/57/48/84/807574884.db2.gz IDIPIKXAEVMQBC-ZWKOTPCHSA-N 1 1 294.483 3.164 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001258729694 807576539 /nfs/dbraw/zinc/57/65/39/807576539.db2.gz XGHXFDGPWYWNBT-ZNMIVQPWSA-N 1 1 294.439 3.282 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@]2(CCCCN2C(C)=O)C1 ZINC001258731474 807577433 /nfs/dbraw/zinc/57/74/33/807577433.db2.gz YFXZOSOULZDKEZ-RDJZCZTQSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCC[C@H](C(=O)OCC)C1 ZINC001258731989 807577681 /nfs/dbraw/zinc/57/76/81/807577681.db2.gz GXQQAQDBRMLGTC-KGLIPLIRSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](Oc2ccc(C)cn2)C1 ZINC001258734084 807580813 /nfs/dbraw/zinc/58/08/13/807580813.db2.gz RGONOEVIGXIXRV-CABCVRRESA-N 1 1 260.381 3.198 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001258735677 807581869 /nfs/dbraw/zinc/58/18/69/807581869.db2.gz YXJCGMDTGCVZCW-CHWSQXEVSA-N 1 1 253.386 3.005 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)Cc1ccc(Cl)s1 ZINC001169833445 807714000 /nfs/dbraw/zinc/71/40/00/807714000.db2.gz PEUDPRBESPVVOD-UHFFFAOYSA-N 1 1 272.845 3.341 20 30 CGEDMO C=CCN(C)CC[N@@H+](CC)Cc1ccc(Cl)s1 ZINC001169833445 807714005 /nfs/dbraw/zinc/71/40/05/807714005.db2.gz PEUDPRBESPVVOD-UHFFFAOYSA-N 1 1 272.845 3.341 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)Cc1ccc(Cl)s1 ZINC001169833445 807714009 /nfs/dbraw/zinc/71/40/09/807714009.db2.gz PEUDPRBESPVVOD-UHFFFAOYSA-N 1 1 272.845 3.341 20 30 CGEDMO C[N@@H+](Cc1cc2ccccc2[nH]1)[C@H]1CC[C@H](C#N)C1 ZINC001261237210 807717884 /nfs/dbraw/zinc/71/78/84/807717884.db2.gz KVMDOJDZDGEUSF-WFASDCNBSA-N 1 1 253.349 3.292 20 30 CGEDMO C=CC[N@@H+](C1CCCCC1)C1CCC(S(C)(=O)=O)CC1 ZINC001169897705 807721681 /nfs/dbraw/zinc/72/16/81/807721681.db2.gz UHCRXSMJCJPUEU-UHFFFAOYSA-N 1 1 299.480 3.163 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCC)C1 ZINC001261255545 807721742 /nfs/dbraw/zinc/72/17/42/807721742.db2.gz SZLBYWVOCIHRPJ-IRXDYDNUSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[C@H](C)OC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC001262055521 807814857 /nfs/dbraw/zinc/81/48/57/807814857.db2.gz NADRPGUZLBMUBG-AWEZNQCLSA-N 1 1 288.391 3.114 20 30 CGEDMO C#CC[N@H+](Cc1cnc(-c2ccccc2)o1)CC1CC1 ZINC001262234737 807839346 /nfs/dbraw/zinc/83/93/46/807839346.db2.gz LLAPKGOOPGQHNW-UHFFFAOYSA-N 1 1 266.344 3.187 20 30 CGEDMO Cn1c[nH+]c2cccc(NC3=CC[C@H](C#N)CC3)c21 ZINC001212865153 815165273 /nfs/dbraw/zinc/16/52/73/815165273.db2.gz BUHCNIJMLOAPDY-NSHDSACASA-N 1 1 252.321 3.193 20 30 CGEDMO C[C@]1(C#N)CC[N@H+]([C@@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171133103 807994274 /nfs/dbraw/zinc/99/42/74/807994274.db2.gz JNLUZJFAUVLNIE-HZPDHXFCSA-N 1 1 274.795 3.433 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)C(=C)C ZINC001263804890 808007027 /nfs/dbraw/zinc/00/70/27/808007027.db2.gz JASWROGNOVNADJ-OAHLLOKOSA-N 1 1 278.440 3.088 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CC1(C)C ZINC001171223257 808012320 /nfs/dbraw/zinc/01/23/20/808012320.db2.gz LQGJFHJGSPDBBZ-BBRMVZONSA-N 1 1 256.393 3.467 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCc2occc2C1 ZINC001171229304 808013711 /nfs/dbraw/zinc/01/37/11/808013711.db2.gz LQBNNUJFMRHFHG-CYBMUJFWSA-N 1 1 266.344 3.141 20 30 CGEDMO Cc1cnc2c(c1)C[N@@H+]([C@H](C)Cc1cccc(C#N)c1)CC2 ZINC001171231210 808015270 /nfs/dbraw/zinc/01/52/70/808015270.db2.gz IBTXEXXHHUNJIN-OAHLLOKOSA-N 1 1 291.398 3.251 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)CCCC)[C@H]1C ZINC001264139405 808039605 /nfs/dbraw/zinc/03/96/05/808039605.db2.gz MSMOKXMOCNZWIL-OAGGEKHMSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)CCCCC(C)(C)C)[C@H]1C ZINC001264143164 808040193 /nfs/dbraw/zinc/04/01/93/808040193.db2.gz LPRDBCHYHQASCI-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001171386989 808040927 /nfs/dbraw/zinc/04/09/27/808040927.db2.gz HIVCMGKRQBMVGE-IUODEOHRSA-N 1 1 275.342 3.167 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC(C)=C(C)C)[C@H]1C ZINC001264156127 808040909 /nfs/dbraw/zinc/04/09/09/808040909.db2.gz MKROKMOYVXWHIX-KGLIPLIRSA-N 1 1 284.831 3.064 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC(C)=C(C)C)[C@H]1C ZINC001264156127 808040916 /nfs/dbraw/zinc/04/09/16/808040916.db2.gz MKROKMOYVXWHIX-KGLIPLIRSA-N 1 1 284.831 3.064 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@H+](C/C=C\Cl)[C@@H]2C)CCC1 ZINC001264158923 808041586 /nfs/dbraw/zinc/04/15/86/808041586.db2.gz GVWCDEFJAPGYIC-GIGVFAARSA-N 1 1 296.842 3.064 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@@H+](C/C=C\Cl)[C@@H]2C)CCC1 ZINC001264158923 808041596 /nfs/dbraw/zinc/04/15/96/808041596.db2.gz GVWCDEFJAPGYIC-GIGVFAARSA-N 1 1 296.842 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)CC/C=C/c1ccccc1 ZINC001264372783 808063972 /nfs/dbraw/zinc/06/39/72/808063972.db2.gz MHYQZUQQBGSKQQ-DBEXCURXSA-N 1 1 298.430 3.199 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1CC[N@@H+](CC=C(C)C)[C@@H]1C ZINC001264717749 808088567 /nfs/dbraw/zinc/08/85/67/808088567.db2.gz JLJZIIDWGYOJLS-VYDXJSESSA-N 1 1 278.440 3.134 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)CC)CC(C)(C)C1 ZINC001264752351 808091749 /nfs/dbraw/zinc/09/17/49/808091749.db2.gz ZDRVSAMPNWUNQQ-HOTGVXAUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)C1(C)C(C)(C)C1(C)C)C1CC1 ZINC001265186401 808117119 /nfs/dbraw/zinc/11/71/19/808117119.db2.gz RHQOIEDZVKLUCO-UHFFFAOYSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)C2(C)CCC2)C1 ZINC001265220634 808120421 /nfs/dbraw/zinc/12/04/21/808120421.db2.gz NWXPUPPPCGRQBP-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C(CCC)CCC)C1 ZINC001265223401 808121331 /nfs/dbraw/zinc/12/13/31/808121331.db2.gz VWVVAOJAAQJMJK-INIZCTEOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)CC2CCCCC2)C1 ZINC001265306338 808129062 /nfs/dbraw/zinc/12/90/62/808129062.db2.gz NWKABMCGGGYBFK-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C[C@@H]1C[C@H](NC2(CC#N)CCCC2)C[N@H+]1Cc1ccccc1 ZINC001171747065 808129936 /nfs/dbraw/zinc/12/99/36/808129936.db2.gz WLMSYWYAFSUSGF-AEFFLSMTSA-N 1 1 297.446 3.465 20 30 CGEDMO C[C@@H]1C[C@H]([NH2+]C2(CC#N)CCCC2)CN1Cc1ccccc1 ZINC001171747065 808129941 /nfs/dbraw/zinc/12/99/41/808129941.db2.gz WLMSYWYAFSUSGF-AEFFLSMTSA-N 1 1 297.446 3.465 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)C2CCC(=C)CC2)C1 ZINC001265394435 808137840 /nfs/dbraw/zinc/13/78/40/808137840.db2.gz CBJPZHLDGFZSCE-INIZCTEOSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C)C2CCCC2)C1 ZINC001265396281 808140029 /nfs/dbraw/zinc/14/00/29/808140029.db2.gz AGLPGFZWZWEJHC-HOTGVXAUSA-N 1 1 292.467 3.169 20 30 CGEDMO CCCC[N@@H+](CCC#N)[C@@H]1Cc2cccc(F)c2C1 ZINC001171801881 808142979 /nfs/dbraw/zinc/14/29/79/808142979.db2.gz SAJKZMZIWNFMKO-CQSZACIVSA-N 1 1 260.356 3.309 20 30 CGEDMO C=CC(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001265517503 808150459 /nfs/dbraw/zinc/15/04/59/808150459.db2.gz CFUDCMDBNZTCHW-MQVJKMGUSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)CCC)C1 ZINC001265590529 808158890 /nfs/dbraw/zinc/15/88/90/808158890.db2.gz BTRWZMDORDIFPJ-HNNXBMFYSA-N 1 1 280.456 3.217 20 30 CGEDMO CC1(C)C[C@H](N2CC(CC#N)C2)CC[N@H+]1Cc1ccccc1 ZINC001171976883 808164060 /nfs/dbraw/zinc/16/40/60/808164060.db2.gz OFVQOMUTQONIKC-GOSISDBHSA-N 1 1 297.446 3.275 20 30 CGEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CC)CCCCC ZINC001265658195 808166146 /nfs/dbraw/zinc/16/61/46/808166146.db2.gz TYIBNYFGCLWVQW-DLBZAZTESA-N 1 1 292.467 3.197 20 30 CGEDMO CC[C@H](C#N)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172068791 808170498 /nfs/dbraw/zinc/17/04/98/808170498.db2.gz XRWJHRDXTFBQDT-AKHDSKFASA-N 1 1 297.446 3.464 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCNC(=O)C(C)(C)C1CCC1 ZINC001265896302 808190856 /nfs/dbraw/zinc/19/08/56/808190856.db2.gz TYIKMNGZKWYYDP-UHFFFAOYSA-N 1 1 286.847 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCNC(=O)C(C)(C)C1CCC1 ZINC001265896302 808190858 /nfs/dbraw/zinc/19/08/58/808190858.db2.gz TYIKMNGZKWYYDP-UHFFFAOYSA-N 1 1 286.847 3.003 20 30 CGEDMO C=CCC[N@@H+](C)CCCNC(=O)CC1CCCCCC1 ZINC001265931699 808194518 /nfs/dbraw/zinc/19/45/18/808194518.db2.gz SXGQPQMLLFOSKA-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@H]2CSc3ccccc3C2)C1 ZINC001172205713 808199047 /nfs/dbraw/zinc/19/90/47/808199047.db2.gz JUDXUAIHQMFKLE-UKRRQHHQSA-N 1 1 257.402 3.049 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)[C@]1(C)CC=CCC1 ZINC001266045969 808205175 /nfs/dbraw/zinc/20/51/75/808205175.db2.gz SLISPCMYNDFWGG-QGZVFWFLSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CC[N@@H+](CC)CCCNC(=O)c1cc2cc(C)ccc2[nH]1 ZINC001266068919 808208072 /nfs/dbraw/zinc/20/80/72/808208072.db2.gz PUQLSJDMOBEYEI-UHFFFAOYSA-N 1 1 299.418 3.104 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC001266088501 808209341 /nfs/dbraw/zinc/20/93/41/808209341.db2.gz ZLRUDCDHRMOCPM-MRXNPFEDSA-N 1 1 280.456 3.290 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]([N@@H+](C)CC2CC(C)(C)C2)C1 ZINC001266093399 808209578 /nfs/dbraw/zinc/20/95/78/808209578.db2.gz GPQGCVVMVDVDCE-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@H]1CCCN(C(=O)CCCC)C1 ZINC001266090499 808209635 /nfs/dbraw/zinc/20/96/35/808209635.db2.gz LNMVVUVBOUBWJQ-HOTGVXAUSA-N 1 1 280.456 3.454 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccsc2)C1 ZINC001266091149 808210316 /nfs/dbraw/zinc/21/03/16/808210316.db2.gz ZGBJRDJURRTELL-OAHLLOKOSA-N 1 1 292.448 3.251 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@@H]([N@@H+](C)CCC2CC2)C1 ZINC001266103443 808210729 /nfs/dbraw/zinc/21/07/29/808210729.db2.gz QJUIOWWMLNRAKS-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@]2(C)CC=CCC2)C1 ZINC001266100177 808211245 /nfs/dbraw/zinc/21/12/45/808211245.db2.gz TZSSYDGCTXUTFE-SJLPKXTDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@]2(C)CC=CCC2)C1 ZINC001266100178 808211933 /nfs/dbraw/zinc/21/19/33/808211933.db2.gz TZSSYDGCTXUTFE-WMZOPIPTSA-N 1 1 290.451 3.232 20 30 CGEDMO CCCCCCCC[N@H+](CCN)[C@@H]1COC(C)(C)C1 ZINC001172278305 808212601 /nfs/dbraw/zinc/21/26/01/808212601.db2.gz RMTPYPWELYTRIZ-HNNXBMFYSA-N 1 1 270.461 3.175 20 30 CGEDMO CCCCCCCC[N@@H+](CCN)[C@@H]1COC(C)(C)C1 ZINC001172278305 808212610 /nfs/dbraw/zinc/21/26/10/808212610.db2.gz RMTPYPWELYTRIZ-HNNXBMFYSA-N 1 1 270.461 3.175 20 30 CGEDMO C=CCC1(C(=O)N2CCC[C@H]([N@H+](C)C(C)C)C2)CCCC1 ZINC001266122915 808214832 /nfs/dbraw/zinc/21/48/32/808214832.db2.gz YAOKRIFUYRHHHG-INIZCTEOSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(C)cc2)C1 ZINC001266117394 808214976 /nfs/dbraw/zinc/21/49/76/808214976.db2.gz SIIVQKOCZMBMEM-KRWDZBQOSA-N 1 1 286.419 3.108 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H](c2ccncc2)C1 ZINC001172307198 808221795 /nfs/dbraw/zinc/22/17/95/808221795.db2.gz MYQSXYWJXWNBFG-BEFAXECRSA-N 1 1 291.398 3.374 20 30 CGEDMO CC(C)N1CC[C@H]([NH2+][C@H](C)Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC001172308606 808223231 /nfs/dbraw/zinc/22/32/31/808223231.db2.gz LLQLLPHMVXWBTN-FCEWJHQRSA-N 1 1 299.462 3.198 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@](C)(F)[C@@H](F)C1 ZINC001172311943 808224251 /nfs/dbraw/zinc/22/42/51/808224251.db2.gz CNPDFHGKYSOUAB-KCXAZCMYSA-N 1 1 278.346 3.261 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H](NC(=O)CC2CC2)C1 ZINC001266197700 808225870 /nfs/dbraw/zinc/22/58/70/808225870.db2.gz NONSFOMPCUCAKJ-INIZCTEOSA-N 1 1 280.456 3.338 20 30 CGEDMO CC[N@@H+](CCN1CCCCC1)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172318228 808227925 /nfs/dbraw/zinc/22/79/25/808227925.db2.gz CYZWPBHFMZZJKU-KRWDZBQOSA-N 1 1 299.462 3.297 20 30 CGEDMO CCN(CC[NH+]1CCCCC1)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172318228 808227934 /nfs/dbraw/zinc/22/79/34/808227934.db2.gz CYZWPBHFMZZJKU-KRWDZBQOSA-N 1 1 299.462 3.297 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](NC(=O)CC/C=C\c2ccccc2)C1 ZINC001266239785 808231409 /nfs/dbraw/zinc/23/14/09/808231409.db2.gz JFTJEDAIQLAPPO-SNMSSPIJSA-N 1 1 298.430 3.247 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC)CCC)C1 ZINC001266243190 808231669 /nfs/dbraw/zinc/23/16/69/808231669.db2.gz OTUKLWFAFNSCLJ-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)C2(CC=C)CCCCC2)C1 ZINC001266252693 808233929 /nfs/dbraw/zinc/23/39/29/808233929.db2.gz YOUKVCBKPAHKER-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCNC(=O)[C@@H]1CCCC[C@@H]1C1CC1 ZINC001266301035 808237802 /nfs/dbraw/zinc/23/78/02/808237802.db2.gz ARDXMRKLCAOUHC-IAGOWNOFSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C=C2CCCCC2)C1 ZINC001266305027 808239737 /nfs/dbraw/zinc/23/97/37/808239737.db2.gz JBOWDAAETNEIMT-NVXWUHKLSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCC[N@@H+](C)CCC1CCCC1 ZINC001266320589 808241420 /nfs/dbraw/zinc/24/14/20/808241420.db2.gz MYEWTIWAYQAVSL-QGZVFWFLSA-N 1 1 280.456 3.217 20 30 CGEDMO CCCCCCC[C@@H](CC)[NH2+]C1(C(=O)OC)CCOCC1 ZINC001172351002 808248025 /nfs/dbraw/zinc/24/80/25/808248025.db2.gz QPMMRZDIUAZLFL-OAHLLOKOSA-N 1 1 299.455 3.437 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CCCN(C)C(=O)C1 ZINC001172355690 808250973 /nfs/dbraw/zinc/25/09/73/808250973.db2.gz QZUISTWFRLNBNL-HNNXBMFYSA-N 1 1 268.445 3.290 20 30 CGEDMO CC#CCCCC(=O)NCC[N@H+](CC)CC1=CCCCC1 ZINC001266411200 808259566 /nfs/dbraw/zinc/25/95/66/808259566.db2.gz PZPHHKUUUKPSQK-UHFFFAOYSA-N 1 1 290.451 3.119 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H]1CC=CCC1 ZINC001266474856 808272792 /nfs/dbraw/zinc/27/27/92/808272792.db2.gz XOZXPOBUAHCBFS-CABCVRRESA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C[C@@H]1CC=CCC1 ZINC001266474856 808272797 /nfs/dbraw/zinc/27/27/97/808272797.db2.gz XOZXPOBUAHCBFS-CABCVRRESA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)CCC2CCCC2)C1 ZINC001266500168 808277359 /nfs/dbraw/zinc/27/73/59/808277359.db2.gz NALLUXANPAXUEO-HNNXBMFYSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)CCC2CCCC2)C1 ZINC001266500168 808277364 /nfs/dbraw/zinc/27/73/64/808277364.db2.gz NALLUXANPAXUEO-HNNXBMFYSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)CC2CCCCC2)C1 ZINC001266500214 808277510 /nfs/dbraw/zinc/27/75/10/808277510.db2.gz NRAVBUJGSLHZRL-OAHLLOKOSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)CC2CCCCC2)C1 ZINC001266500214 808277515 /nfs/dbraw/zinc/27/75/15/808277515.db2.gz NRAVBUJGSLHZRL-OAHLLOKOSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001266517959 808280312 /nfs/dbraw/zinc/28/03/12/808280312.db2.gz QKMGZIHYDBHIGO-KRWDZBQOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)C(CCC)CCC)C1 ZINC001266528134 808281827 /nfs/dbraw/zinc/28/18/27/808281827.db2.gz KGKYBLXRRYQDQP-HNNXBMFYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@@H+](CCNC(=O)C1=CCCCCC1)C1CC1 ZINC001266591040 808294006 /nfs/dbraw/zinc/29/40/06/808294006.db2.gz XMWAASZUHXLOLR-UHFFFAOYSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C\Cl ZINC001266651882 808301606 /nfs/dbraw/zinc/30/16/06/808301606.db2.gz LGBUEONPZVTEDF-JCZQEFQBSA-N 1 1 296.842 3.207 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1CCC[N@@H+](C/C=C\Cl)C1 ZINC001266752044 808311457 /nfs/dbraw/zinc/31/14/57/808311457.db2.gz NGMMQTNYHVUYGO-QPBFKRLHSA-N 1 1 298.858 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H](C)CCC ZINC001266836989 808321022 /nfs/dbraw/zinc/32/10/22/808321022.db2.gz GPEVOHDKJOMLQC-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@@H]1CNC(=O)/C=C\C(C)(C)C ZINC001266836610 808321684 /nfs/dbraw/zinc/32/16/84/808321684.db2.gz BNQYXZOUUFQUFQ-QIAWRQBBSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@@H]1CNC(=O)/C=C\C(C)(C)C ZINC001266836610 808321693 /nfs/dbraw/zinc/32/16/93/808321693.db2.gz BNQYXZOUUFQUFQ-QIAWRQBBSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@H]1CCCC[N@@H+]1C/C=C/Cl ZINC001266853802 808324859 /nfs/dbraw/zinc/32/48/59/808324859.db2.gz UBERCGJYQLPYDO-VIGJRRFGSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@H]1CCCC[N@H+]1C/C=C/Cl ZINC001266853802 808324869 /nfs/dbraw/zinc/32/48/69/808324869.db2.gz UBERCGJYQLPYDO-VIGJRRFGSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](CC)CCC ZINC001266857575 808326023 /nfs/dbraw/zinc/32/60/23/808326023.db2.gz NGAJKOZZMXGAMW-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)C1(CF)CCC1 ZINC001266856418 808326301 /nfs/dbraw/zinc/32/63/01/808326301.db2.gz QOYFVPSJDDQMNA-HNNXBMFYSA-N 1 1 296.430 3.063 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@H]2CCCC[N@@H+]2CCC(C)C)C1 ZINC001266855668 808326317 /nfs/dbraw/zinc/32/63/17/808326317.db2.gz FJVIKTQRROJFTJ-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO CC(C)[C@@H]([NH2+][C@@H](C)CCCC#N)C(=O)OC(C)(C)C ZINC001172479858 808343471 /nfs/dbraw/zinc/34/34/71/808343471.db2.gz LEACTUYSTQRJSV-QWHCGFSZSA-N 1 1 268.401 3.025 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCc2cc(F)c(F)cc2C1 ZINC001172500736 808354789 /nfs/dbraw/zinc/35/47/89/808354789.db2.gz ADTXVHKPYHIQGO-LLVKDONJSA-N 1 1 264.319 3.405 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001172499792 808356447 /nfs/dbraw/zinc/35/64/47/808356447.db2.gz ADGFXEQADMWAPD-QRQLOZEOSA-N 1 1 297.446 3.133 20 30 CGEDMO C[C@H](CCCC#N)[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC001172499792 808356454 /nfs/dbraw/zinc/35/64/54/808356454.db2.gz ADGFXEQADMWAPD-QRQLOZEOSA-N 1 1 297.446 3.133 20 30 CGEDMO C#CCC[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)CC(C)C)C1 ZINC001267113290 808361995 /nfs/dbraw/zinc/36/19/95/808361995.db2.gz HRBKFIWFNFWNAW-INIZCTEOSA-N 1 1 292.467 3.005 20 30 CGEDMO Cc1cccc(O[C@@H]2CCC[N@H+]([C@H](C)CCCC#N)C2)n1 ZINC001172506662 808362632 /nfs/dbraw/zinc/36/26/32/808362632.db2.gz YQPRUVQXFZGMEN-HZPDHXFCSA-N 1 1 287.407 3.316 20 30 CGEDMO COC(=O)CC[N@@H+](Cc1ccccc1)[C@H](C)CCCC#N ZINC001172507407 808364606 /nfs/dbraw/zinc/36/46/06/808364606.db2.gz TVBLDOFLYGQAGJ-OAHLLOKOSA-N 1 1 288.391 3.134 20 30 CGEDMO CCCCCCC[C@H](CCC)[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC001172507796 808365072 /nfs/dbraw/zinc/36/50/72/808365072.db2.gz BQLSTANXXZOTIR-IXDOHACOSA-N 1 1 285.472 3.191 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1CCCNC(=O)/C(C)=C/C ZINC001267164052 808372310 /nfs/dbraw/zinc/37/23/10/808372310.db2.gz AYLDBEGEBJHPLT-UZPPOTPCSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)CCNC(=O)c1ccoc1C(C)C ZINC001267233413 808388204 /nfs/dbraw/zinc/38/82/04/808388204.db2.gz NXBRFHGRLDHCAR-AWEZNQCLSA-N 1 1 292.423 3.419 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1CNC(=O)C1(CC=C)CCCCC1 ZINC001267281407 808404341 /nfs/dbraw/zinc/40/43/41/808404341.db2.gz IICOLMQORNVUNL-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](CNC(=O)CC(C)(C)CC)C1 ZINC001267294749 808406752 /nfs/dbraw/zinc/40/67/52/808406752.db2.gz MCYFSYKPLAQPPE-HNNXBMFYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](CNC(=O)C2(F)CCCC2)C1 ZINC001267297321 808407149 /nfs/dbraw/zinc/40/71/49/808407149.db2.gz HEHPHMJRVCWJSE-LSDHHAIUSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)C[C@H](C)CC(C)C)C1 ZINC001267305424 808408017 /nfs/dbraw/zinc/40/80/17/808408017.db2.gz AFCHYGXSKNALNI-CVEARBPZSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@H]1CC[N@H+](CC/C=C\CC)C1 ZINC001267303362 808408630 /nfs/dbraw/zinc/40/86/30/808408630.db2.gz MABORJJZLSUXGO-XITLMJRVSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)c1cccc2ccccc21 ZINC001267319290 808413282 /nfs/dbraw/zinc/41/32/82/808413282.db2.gz FKCZMSXDFWXGMV-UHFFFAOYSA-N 1 1 296.414 3.468 20 30 CGEDMO C=CCCC[N@H+](CCNC(=O)C(C)=C1CCCC1)C1CC1 ZINC001267323129 808415495 /nfs/dbraw/zinc/41/54/95/808415495.db2.gz HPAPWOCAQQRBCE-UHFFFAOYSA-N 1 1 290.451 3.424 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172719414 808417240 /nfs/dbraw/zinc/41/72/40/808417240.db2.gz NNWXUUWZHKASIZ-OAHLLOKOSA-N 1 1 262.784 3.433 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)c2ccc(C)cc2)C1 ZINC001267487060 808432419 /nfs/dbraw/zinc/43/24/19/808432419.db2.gz ABRWABHNHRQOGA-KRWDZBQOSA-N 1 1 286.419 3.108 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CCNC(=O)CC2(C)CCCC2)C1 ZINC001267523349 808440159 /nfs/dbraw/zinc/44/01/59/808440159.db2.gz IGBXDFBICHLXMP-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)c2cc(C)cs2)C1 ZINC001267541365 808442856 /nfs/dbraw/zinc/44/28/56/808442856.db2.gz ZNTHBQPNUXOKGM-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C[C@H](CC)CC(=O)N(CCC)[C@@H]1CC[N@H+](C(C)C)C1 ZINC001267546458 808443751 /nfs/dbraw/zinc/44/37/51/808443751.db2.gz PDHZSLQWMPANCQ-HZPDHXFCSA-N 1 1 280.456 3.310 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCC[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC001267565878 808447777 /nfs/dbraw/zinc/44/77/77/808447777.db2.gz WQRGYTMQNHWCEV-SJLPKXTDSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001267561702 808448414 /nfs/dbraw/zinc/44/84/14/808448414.db2.gz QIANMICAOGLMSS-OAHLLOKOSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCC[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC001267565876 808448488 /nfs/dbraw/zinc/44/84/88/808448488.db2.gz WQRGYTMQNHWCEV-AEFFLSMTSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)CCC(C)C)C1 ZINC001267578022 808452250 /nfs/dbraw/zinc/45/22/50/808452250.db2.gz VGBLYRBKONPEKL-MRXNPFEDSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001267632593 808463179 /nfs/dbraw/zinc/46/31/79/808463179.db2.gz ZZHFZQGFWDRYSJ-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[NH+]1CC(NC(=O)C2CCCCCCC2)C1 ZINC001267652170 808466772 /nfs/dbraw/zinc/46/67/72/808466772.db2.gz JQEWJTAUQDFZFN-UHFFFAOYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C[C@H](C(=O)N[C@@H]1CC[N@H+](CCC(=C)C)C1)c1ccccc1 ZINC001267754393 808485304 /nfs/dbraw/zinc/48/53/04/808485304.db2.gz NPFIJTPRSROLSG-MSOLQXFVSA-N 1 1 298.430 3.113 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)CCC2CCC2)C1 ZINC001267765203 808486680 /nfs/dbraw/zinc/48/66/80/808486680.db2.gz WYVJXOFRPDNREK-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](F)CC)C1 ZINC001267770915 808488745 /nfs/dbraw/zinc/48/87/45/808488745.db2.gz VEMGWGSHZBJNJK-CABCVRRESA-N 1 1 286.435 3.238 20 30 CGEDMO C=C/C(C)=C/CC(=O)N(CC)[C@H]1CC[N@H+](CC(=C)Cl)C1 ZINC001267788670 808491864 /nfs/dbraw/zinc/49/18/64/808491864.db2.gz BZKMLAWGYRHRAD-COSNYCCFSA-N 1 1 296.842 3.184 20 30 CGEDMO C=C/C(C)=C/CC(=O)N(CC)[C@H]1CC[N@@H+](CC(=C)Cl)C1 ZINC001267788670 808491868 /nfs/dbraw/zinc/49/18/68/808491868.db2.gz BZKMLAWGYRHRAD-COSNYCCFSA-N 1 1 296.842 3.184 20 30 CGEDMO C=CCCCC(=O)N(CC)[C@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001267790859 808494150 /nfs/dbraw/zinc/49/41/50/808494150.db2.gz NDPOUMGOBGNIER-INIZCTEOSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CCC[N@H+](CC=C(C)C)C2)CCC1 ZINC001267966738 808521623 /nfs/dbraw/zinc/52/16/23/808521623.db2.gz QGHCRDRNDKWFIN-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC001173228428 808541500 /nfs/dbraw/zinc/54/15/00/808541500.db2.gz WMLBDWOLOCPSFL-ZFWWWQNUSA-N 1 1 287.363 3.151 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](CC)CCCC)C1 ZINC001268207641 808558443 /nfs/dbraw/zinc/55/84/43/808558443.db2.gz BWJXTKXBARBYEK-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)c1ccc(C)cc1C ZINC001268256406 808572289 /nfs/dbraw/zinc/57/22/89/808572289.db2.gz LXZFUNLVZROXGQ-UHFFFAOYSA-N 1 1 288.435 3.273 20 30 CGEDMO C=CCOC1CCC([N@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)CC1 ZINC001173319243 808610226 /nfs/dbraw/zinc/61/02/26/808610226.db2.gz BJXWCVIDNNJILP-BACDZXNISA-N 1 1 291.435 3.334 20 30 CGEDMO C=CCOC1CCC([N@H+]2CC[C@](C)(CF)C2)CC1 ZINC001173321782 808611238 /nfs/dbraw/zinc/61/12/38/808611238.db2.gz OYPOWLCVJPXILT-YMAMQOFZSA-N 1 1 255.377 3.182 20 30 CGEDMO C=CCOC1CCC([N@H+]2CCC[C@]3(CCOC3)C2)CC1 ZINC001173321794 808611412 /nfs/dbraw/zinc/61/14/12/808611412.db2.gz PKWXUGKWGYDPJQ-JCYILVPMSA-N 1 1 279.424 3.003 20 30 CGEDMO C=CCOC1CCC([N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)CC1 ZINC001173320300 808611582 /nfs/dbraw/zinc/61/15/82/808611582.db2.gz FNDQGMWMHJTIRL-RYSNWHEDSA-N 1 1 271.351 3.087 20 30 CGEDMO C=CCOC1CCC([N@H+]2CCC[C@H](CC#N)C2)CC1 ZINC001173327535 808614077 /nfs/dbraw/zinc/61/40/77/808614077.db2.gz NQUGIWMQLFAXLV-QQFBHYJXSA-N 1 1 262.397 3.126 20 30 CGEDMO CCOC(=O)[C@H]1CCC[N@H+](C2CCC(CC#N)CC2)[C@@H]1C ZINC001173337511 808618576 /nfs/dbraw/zinc/61/85/76/808618576.db2.gz MQJBRUDYPMAJAU-LMPOIIKSSA-N 1 1 292.423 3.122 20 30 CGEDMO CCC[N@H+](CCCN(C)C)C1CCC(CC#N)CC1 ZINC001173339066 808619891 /nfs/dbraw/zinc/61/98/91/808619891.db2.gz CFNCCTWYPKWOBZ-UHFFFAOYSA-N 1 1 265.445 3.123 20 30 CGEDMO CCC[N@@H+](CCCN(C)C)C1CCC(CC#N)CC1 ZINC001173339066 808619893 /nfs/dbraw/zinc/61/98/93/808619893.db2.gz CFNCCTWYPKWOBZ-UHFFFAOYSA-N 1 1 265.445 3.123 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)c1cccc2cc[nH]c21 ZINC001268744731 808622112 /nfs/dbraw/zinc/62/21/12/808622112.db2.gz AWACLUVETNZFHJ-AWEZNQCLSA-N 1 1 299.418 3.184 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)C[C@H](C)c1ccccc1 ZINC001268755532 808623953 /nfs/dbraw/zinc/62/39/53/808623953.db2.gz AKCQCXPARLIFPT-JKSUJKDBSA-N 1 1 288.435 3.193 20 30 CGEDMO C=C[C@@H](C(=O)N[C@H](C)C[N@H+](C)CCCC)c1ccccc1 ZINC001268757566 808626206 /nfs/dbraw/zinc/62/62/06/808626206.db2.gz SLXCYTOWRXZFTP-NVXWUHKLSA-N 1 1 288.435 3.193 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C2CCC2)C1 ZINC001269038789 808642893 /nfs/dbraw/zinc/64/28/93/808642893.db2.gz IAWOAGAMGCTWIB-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)c2c(C)coc2C)C1 ZINC001269022507 808643227 /nfs/dbraw/zinc/64/32/27/808643227.db2.gz BHIDQSYDJXAWLW-HIFRSBDPSA-N 1 1 290.407 3.055 20 30 CGEDMO CC1(C#N)CCC(n2cc(CC[NH3+])c3cnccc32)CC1 ZINC001173591876 808648700 /nfs/dbraw/zinc/64/87/00/808648700.db2.gz VVLRIZFPPRXNCY-UHFFFAOYSA-N 1 1 282.391 3.182 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CC[C@@H](N3CCCCC3)C2)CC1 ZINC001173596231 808649705 /nfs/dbraw/zinc/64/97/05/808649705.db2.gz ONBDKUUSTGXABE-AQFXKWCLSA-N 1 1 275.440 3.019 20 30 CGEDMO CC1(C#N)CCC(N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC001173596231 808649708 /nfs/dbraw/zinc/64/97/08/808649708.db2.gz ONBDKUUSTGXABE-AQFXKWCLSA-N 1 1 275.440 3.019 20 30 CGEDMO CCOC(=O)[C@H]1CCC[N@H+](C2CCC(C)(C#N)CC2)[C@@H]1C ZINC001173599150 808650855 /nfs/dbraw/zinc/65/08/55/808650855.db2.gz GUYWQEARIBFSDF-GJEMEMOUSA-N 1 1 292.423 3.122 20 30 CGEDMO Cc1ccc(C[N@H+](C)C2CCC(C)(C#N)CC2)cn1 ZINC001173601104 808652171 /nfs/dbraw/zinc/65/21/71/808652171.db2.gz OQXAIKWWKIHAHK-UHFFFAOYSA-N 1 1 257.381 3.294 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](CC)CCCC)C1 ZINC001269215410 808655872 /nfs/dbraw/zinc/65/58/72/808655872.db2.gz GTANUMXLCPMHDB-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO CCOC(=O)C[C@@H]1CC[C@H]([N@@H+](CCC#N)C2CCCC2)C1 ZINC001173644996 808658004 /nfs/dbraw/zinc/65/80/04/808658004.db2.gz RCTGXSPVYLXDCJ-ZBFHGGJFSA-N 1 1 292.423 3.267 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N(C)[C@@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001269268227 808661273 /nfs/dbraw/zinc/66/12/73/808661273.db2.gz JHYKIJCHJIIMLH-JKSUJKDBSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)C(=C)C)C1 ZINC001269264132 808662442 /nfs/dbraw/zinc/66/24/42/808662442.db2.gz VUFVKUVBWWDDCD-JKSUJKDBSA-N 1 1 292.467 3.476 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H]1CC[N@H+]1CCCC1CCC1 ZINC001269284827 808663840 /nfs/dbraw/zinc/66/38/40/808663840.db2.gz GAXPBJBZIKOOHS-FUHWJXTLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)Cc1ccc(C(=O)OC)cc1 ZINC001173730754 808668035 /nfs/dbraw/zinc/66/80/35/808668035.db2.gz PLJMAEKBXJCODG-AWEZNQCLSA-N 1 1 275.392 3.302 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C(C)C)C1 ZINC001269556345 808687804 /nfs/dbraw/zinc/68/78/04/808687804.db2.gz LITIXOYWIRAWCV-SJORKVTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)C[C@H](C)CCCCC)C1 ZINC001270631917 808739151 /nfs/dbraw/zinc/73/91/51/808739151.db2.gz GWTZJBJYCRRLSQ-WBVHZDCISA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](C)C(C)(C)C)C1 ZINC001270966275 808756166 /nfs/dbraw/zinc/75/61/66/808756166.db2.gz WXEDGEHDWWRKDR-MAUKXSAKSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CN(C(=O)C[C@H](C)CCCCC)C[C@H]2C1 ZINC001271880225 808786706 /nfs/dbraw/zinc/78/67/06/808786706.db2.gz KEFDCBILFAMEGO-ZACQAIPSSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2C/C=C\Cl ZINC001272032982 808793349 /nfs/dbraw/zinc/79/33/49/808793349.db2.gz GSQUNQJHWYBDIF-XCTAYMRMSA-N 1 1 296.842 3.161 20 30 CGEDMO C=C(C)CN1CC[C@]2(CCC[N@H+](CCCC)CC2)C1=O ZINC001272466868 808810227 /nfs/dbraw/zinc/81/02/27/808810227.db2.gz KSQDFRRIZMGFAX-QGZVFWFLSA-N 1 1 278.440 3.067 20 30 CGEDMO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2CCC(C)(C)C ZINC001272496456 808814487 /nfs/dbraw/zinc/81/44/87/808814487.db2.gz YZJDCCNPOGELMQ-GOSISDBHSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2CCC(C)(C)C ZINC001272496457 808814756 /nfs/dbraw/zinc/81/47/56/808814756.db2.gz YZJDCCNPOGELMQ-SFHVURJKSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2CC1CCCC1 ZINC001272499792 808814786 /nfs/dbraw/zinc/81/47/86/808814786.db2.gz MLZQFHZEIVPRCS-SFHVURJKSA-N 1 1 290.451 3.210 20 30 CGEDMO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(CC)cc2)C1=O ZINC001272972893 808828724 /nfs/dbraw/zinc/82/87/24/808828724.db2.gz ZZEOBCSQTLBMIE-IBGZPJMESA-N 1 1 298.430 3.002 20 30 CGEDMO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2ccc(C)cc2)C1=O ZINC001272972005 808829255 /nfs/dbraw/zinc/82/92/55/808829255.db2.gz NZDFOZVHWBTRLE-LJQANCHMSA-N 1 1 298.430 3.138 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2occc2C)CC1 ZINC001273385484 808842515 /nfs/dbraw/zinc/84/25/15/808842515.db2.gz URVFZJPXQCNXOQ-HNNXBMFYSA-N 1 1 290.407 3.139 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CCC[N@H+](CC2CC(C)C2)CC1 ZINC001273417702 808844306 /nfs/dbraw/zinc/84/43/06/808844306.db2.gz JFMOLESMVJDCMU-JCYILVPMSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[C@@H]1CCC ZINC001273530569 808852301 /nfs/dbraw/zinc/85/23/01/808852301.db2.gz RRFBRBGVPONAAC-DLBZAZTESA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCN(C)C(=O)C1(C)CC(=C)C1 ZINC001273560456 808853788 /nfs/dbraw/zinc/85/37/88/808853788.db2.gz NYWGYNGIVWJXME-INIZCTEOSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2(CC)CC2)C[C@H]1C ZINC001274646530 808881104 /nfs/dbraw/zinc/88/11/04/808881104.db2.gz YLUOSIHYFIBUEZ-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@H]1CCCN1C(=O)CC ZINC001275081019 808904026 /nfs/dbraw/zinc/90/40/26/808904026.db2.gz OHZSWLQTLQLGCW-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)CCC ZINC001275135180 808914092 /nfs/dbraw/zinc/91/40/92/808914092.db2.gz GJQRXVMNPIRCRX-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C#Cc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCCC2)cc1 ZINC001275132566 808914365 /nfs/dbraw/zinc/91/43/65/808914365.db2.gz WOEGQBKAAOPKLD-BGYRXZFFSA-N 1 1 294.442 3.259 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C1(CCC)CC1 ZINC001275143021 808915017 /nfs/dbraw/zinc/91/50/17/808915017.db2.gz GVLJDHHIHDLLDX-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1csc(Cl)c1 ZINC001275151281 808917341 /nfs/dbraw/zinc/91/73/41/808917341.db2.gz ZACMONXUWOGPKE-LBPRGKRZSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)CC(CC)CC ZINC001275159781 808917571 /nfs/dbraw/zinc/91/75/71/808917571.db2.gz GRCUTQIONILIAB-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)c1ccc(C2CC2)cc1 ZINC001275166996 808918451 /nfs/dbraw/zinc/91/84/51/808918451.db2.gz KJFVOBRPMUKVJU-GOSISDBHSA-N 1 1 298.430 3.286 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)c1cc(C)cs1 ZINC001275552126 808947654 /nfs/dbraw/zinc/94/76/54/808947654.db2.gz OPAGILNOLKUZQS-ZIAGYGMSSA-N 1 1 294.464 3.461 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@H](C)[N@H+](C)CC/C=C/CC)C1 ZINC001275928826 808976451 /nfs/dbraw/zinc/97/64/51/808976451.db2.gz STEWJEWXNMBUSJ-KIUWMYQTSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)c1cccc2cc[nH]c21 ZINC001275936758 808978207 /nfs/dbraw/zinc/97/82/07/808978207.db2.gz VRDRTZBYQSHGBI-AWEZNQCLSA-N 1 1 299.418 3.184 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)c1csc(Cl)c1 ZINC001275947899 808979175 /nfs/dbraw/zinc/97/91/75/808979175.db2.gz YUXGVKIDGCLYCS-SNVBAGLBSA-N 1 1 286.828 3.028 20 30 CGEDMO C#CCC1(C(=O)NC[C@@H](C)[N@H+](C)CC(C)C)CCCCC1 ZINC001276011567 808984823 /nfs/dbraw/zinc/98/48/23/808984823.db2.gz MTAYERGYWQCLER-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCCCCCCN1CC2(C1)CC[N@H+](C)C2 ZINC001276043125 808986556 /nfs/dbraw/zinc/98/65/56/808986556.db2.gz UODXUSHIBZIVFU-UHFFFAOYSA-N 1 1 250.430 3.151 20 30 CGEDMO C=CCCCCCCC[NH+]1CC2(C1)CCN(C)C2 ZINC001276043125 808986559 /nfs/dbraw/zinc/98/65/59/808986559.db2.gz UODXUSHIBZIVFU-UHFFFAOYSA-N 1 1 250.430 3.151 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C=C1CCC1 ZINC001276289104 808999188 /nfs/dbraw/zinc/99/91/88/808999188.db2.gz JNEUVGHDMHHMPU-OAHLLOKOSA-N 1 1 296.842 3.210 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)C=C1CCC1 ZINC001276289104 808999195 /nfs/dbraw/zinc/99/91/95/808999195.db2.gz JNEUVGHDMHHMPU-OAHLLOKOSA-N 1 1 296.842 3.210 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)[C@@H](CC)CCCC)C(C)(C)C1 ZINC001276560478 809017453 /nfs/dbraw/zinc/01/74/53/809017453.db2.gz ALBXJPRUFVYLDS-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[N@H+](CC(CC)CC)CC1(C)C ZINC001276561670 809017531 /nfs/dbraw/zinc/01/75/31/809017531.db2.gz OWNLIHNTATVQHD-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)CC(C)(C)C2CC2)C(C)(C)C1 ZINC001276578677 809018137 /nfs/dbraw/zinc/01/81/37/809018137.db2.gz HWVMNCKVXQJPRG-OAHLLOKOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCCC(=O)NC[C@H]1CC[N@@H+]1[C@H](C)c1ccccc1 ZINC001276908624 809042977 /nfs/dbraw/zinc/04/29/77/809042977.db2.gz JBMRCAZYTGVHFQ-NVXWUHKLSA-N 1 1 286.419 3.294 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)C1CC2(CCC2)C1 ZINC001276909176 809043122 /nfs/dbraw/zinc/04/31/22/809043122.db2.gz OHOLOAHZCSTEJK-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CC[N@@H+]2CCC(C)C)CCCC1 ZINC001276986200 809052125 /nfs/dbraw/zinc/05/21/25/809052125.db2.gz SKHUEOOSOZEHKN-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)CC2CC2)CC1 ZINC001277372958 809071625 /nfs/dbraw/zinc/07/16/25/809071625.db2.gz OLCZSMLSOWXLSY-CQSZACIVSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)C3(CCCC)CC3)C2)C1 ZINC001277531993 809078360 /nfs/dbraw/zinc/07/83/60/809078360.db2.gz VGGZANPCROWUTG-QGZVFWFLSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C2(F)CCCC2)[C@H]1C ZINC001278516341 809139127 /nfs/dbraw/zinc/13/91/27/809139127.db2.gz RBFURTTVDZDCKQ-CABCVRRESA-N 1 1 296.430 3.204 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)C(CCC)CCC)[C@@H]1C ZINC001278520810 809139317 /nfs/dbraw/zinc/13/93/17/809139317.db2.gz ISWXWMDZHWEWGA-RDJZCZTQSA-N 1 1 292.467 3.195 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1CCC[N@H+](CCCC(C)C)[C@@H]1C ZINC001278506424 809139379 /nfs/dbraw/zinc/13/93/79/809139379.db2.gz QMMOCQJVUACBIV-IAGOWNOFSA-N 1 1 292.467 3.195 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@]1(C)CCC[N@@H+](CC(C)C)C1 ZINC001278676897 809151466 /nfs/dbraw/zinc/15/14/66/809151466.db2.gz BXTFXIXQMMIKHN-ZWKOTPCHSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC1CC1)C2 ZINC001278954379 809158751 /nfs/dbraw/zinc/15/87/51/809158751.db2.gz ZWYJZPFNTTZDDU-BBWFWOEESA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC1(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CCCC1 ZINC001279399998 809171739 /nfs/dbraw/zinc/17/17/39/809171739.db2.gz LLFHRGUOVFDLJZ-QGZVFWFLSA-N 1 1 296.430 3.204 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@@H](C)[C@H](C)CC)CC1 ZINC001279661017 809177512 /nfs/dbraw/zinc/17/75/12/809177512.db2.gz JWPLSRVTTBLVIK-CVEARBPZSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)C1=CCCCCC1 ZINC001280805545 809200042 /nfs/dbraw/zinc/20/00/42/809200042.db2.gz MXKLIBCHRSMDNA-UHFFFAOYSA-N 1 1 278.440 3.233 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)F)C[C@H]1C ZINC001281645652 809216934 /nfs/dbraw/zinc/21/69/34/809216934.db2.gz ZVKTYVJWTJCLCP-CABCVRRESA-N 1 1 298.446 3.450 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1c2ccccc2CC[N@@H+]1CCC ZINC001281775695 809220972 /nfs/dbraw/zinc/22/09/72/809220972.db2.gz DFBQLUUBXAHTBQ-QGZVFWFLSA-N 1 1 286.419 3.078 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)/C=C\C(C)(C)C ZINC001281928099 809223863 /nfs/dbraw/zinc/22/38/63/809223863.db2.gz JIIXOPBIWDMUTD-JQPIKURYSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](C)C(C)C ZINC001281955392 809225232 /nfs/dbraw/zinc/22/52/32/809225232.db2.gz MPAZYWZZDOPXTB-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1CCC ZINC001281956731 809226970 /nfs/dbraw/zinc/22/69/70/809226970.db2.gz KEUGZRFIYXZPNQ-IXDOHACOSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CCC[N@H+](C)[C@@H](C)CNC(=O)C[C@@H](C)C1CCCCC1 ZINC001282467288 809249549 /nfs/dbraw/zinc/24/95/49/809249549.db2.gz IACOQNZACQYDIX-CVEARBPZSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)C[C@@H](CC)C(C)C ZINC001282478622 809250043 /nfs/dbraw/zinc/25/00/43/809250043.db2.gz SICFMWUFJVRKLV-HUUCEWRRSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)C(C)=C1CCC1 ZINC001282665586 809258086 /nfs/dbraw/zinc/25/80/86/809258086.db2.gz GPEBCQATVFYZBJ-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@](C)(F)CCCC)C(C)(C)C1 ZINC001282812271 809263415 /nfs/dbraw/zinc/26/34/15/809263415.db2.gz NDJBGBBBNSVNIP-WMLDXEAASA-N 1 1 298.446 3.308 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@H](C)C(CC)CC)C(C)(C)C1 ZINC001282812655 809263640 /nfs/dbraw/zinc/26/36/40/809263640.db2.gz PBNVZODUIIXVIC-ZBFHGGJFSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C1CCN(C(=O)CCCF)CC1 ZINC001283320513 809275622 /nfs/dbraw/zinc/27/56/22/809275622.db2.gz XDRKFSAYPGRGIK-CQSZACIVSA-N 1 1 284.419 3.014 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)C2(CCCC)CC2)CC1 ZINC001283326205 809277241 /nfs/dbraw/zinc/27/72/41/809277241.db2.gz VQAQPSUWJATEMD-UHFFFAOYSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)[C@@H](F)c1ccccc1)C(C)C ZINC001284544928 809310123 /nfs/dbraw/zinc/31/01/23/809310123.db2.gz QNIMWYHMXYTFHH-INIZCTEOSA-N 1 1 292.398 3.052 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CNC(=O)[C@]2(C)C=CCC2)CC1 ZINC001284949965 809321399 /nfs/dbraw/zinc/32/13/99/809321399.db2.gz YNQHVSUIGFQNFT-GOSISDBHSA-N 1 1 288.435 3.057 20 30 CGEDMO C=CCOCC[N@@H+]1CCCC[C@@H]1CC1(O)CCCCC1 ZINC001176062946 809613186 /nfs/dbraw/zinc/61/31/86/809613186.db2.gz UVCQHQCBSKWHTN-MRXNPFEDSA-N 1 1 281.440 3.129 20 30 CGEDMO C#CC[N@H+](CCC1(O)CCC1)[C@@H]1CCCc2ccccc21 ZINC001176452644 809700145 /nfs/dbraw/zinc/70/01/45/809700145.db2.gz LOCQEMZBOGHBRU-GOSISDBHSA-N 1 1 283.415 3.304 20 30 CGEDMO C#CC[NH+](CC#C)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001180120165 809975829 /nfs/dbraw/zinc/97/58/29/809975829.db2.gz DXTHACZESNTOBL-UHFFFAOYSA-N 1 1 298.386 3.102 20 30 CGEDMO C=CCC[C@H]([NH2+][C@H]1C[C@@H]2CCCC[C@@H]21)C(=O)OCC ZINC001181826982 810075095 /nfs/dbraw/zinc/07/50/95/810075095.db2.gz IRLOWJMFOKIDJE-AJNGGQMLSA-N 1 1 265.397 3.053 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC001182165501 810096090 /nfs/dbraw/zinc/09/60/90/810096090.db2.gz PUWDUCMQYGHMMH-IRXDYDNUSA-N 1 1 286.419 3.104 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1cc2cnccc2o1 ZINC001183428281 810148076 /nfs/dbraw/zinc/14/80/76/810148076.db2.gz HGRGZOBXGMNWFI-UHFFFAOYSA-N 1 1 291.354 3.374 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)CCCC)[C@@H]2C1 ZINC001187779244 810423890 /nfs/dbraw/zinc/42/38/90/810423890.db2.gz DURSZZSOGVVYFO-YESZJQIVSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)CC(C)(C)C=C)[C@@H]2C1 ZINC001188063807 810448737 /nfs/dbraw/zinc/44/87/37/810448737.db2.gz QRKPBDNESHKHJS-JKSUJKDBSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C(CC)CC)[C@@H]2C1 ZINC001188396363 810480099 /nfs/dbraw/zinc/48/00/99/810480099.db2.gz KBAIMEAKRWDFCH-BHYGNILZSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC001188665621 810502036 /nfs/dbraw/zinc/50/20/36/810502036.db2.gz PQDOOXBBLYUPHQ-DOTOQJQBSA-N 1 1 286.419 3.188 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)CC2CCCCC2)C1 ZINC001188763661 810511860 /nfs/dbraw/zinc/51/18/60/810511860.db2.gz DLCFRNFJGDELRH-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)c2ccsc2)C1 ZINC001188776317 810513137 /nfs/dbraw/zinc/51/31/37/810513137.db2.gz KDTHRXWLWVZODF-UKRRQHHQSA-N 1 1 292.448 3.249 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)CCCF)[C@@H]2C1 ZINC001188832280 810518149 /nfs/dbraw/zinc/51/81/49/810518149.db2.gz MSMRPFJKHMXVCQ-JKSUJKDBSA-N 1 1 298.446 3.239 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)CCC(C)C)C1 ZINC001188836349 810518840 /nfs/dbraw/zinc/51/88/40/810518840.db2.gz RAFNZIUAXLTNCW-HOTGVXAUSA-N 1 1 280.456 3.310 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C2CCCCCC2)C1 ZINC001189260657 810551860 /nfs/dbraw/zinc/55/18/60/810551860.db2.gz ICGPUOLFHXGWKK-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC(=O)N1CC[C@@H]([N@H+](C)[C@@H]2CCc3ccccc32)C1 ZINC001189319288 810558473 /nfs/dbraw/zinc/55/84/73/810558473.db2.gz WDZOZYBFHNPBRJ-SJLPKXTDSA-N 1 1 298.430 3.173 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CC2CCC2)C1 ZINC001189526031 810575139 /nfs/dbraw/zinc/57/51/39/810575139.db2.gz HAFVWAUJGLEYMS-GOEBONIOSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CC2CCC2)C1 ZINC001189526036 810575335 /nfs/dbraw/zinc/57/53/35/810575335.db2.gz HAFVWAUJGLEYMS-ZBFHGGJFSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)C=C(CC)CC)C1 ZINC001189633618 810584093 /nfs/dbraw/zinc/58/40/93/810584093.db2.gz YOVXVQOUUHVYKA-CQSZACIVSA-N 1 1 284.831 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)C=C(CC)CC)C1 ZINC001189633618 810584105 /nfs/dbraw/zinc/58/41/05/810584105.db2.gz YOVXVQOUUHVYKA-CQSZACIVSA-N 1 1 284.831 3.018 20 30 CGEDMO C#CCC[N@H+](C)[C@@H]1CCN(C(=O)CCC[C@H](C)CCC)C1 ZINC001190369264 810623630 /nfs/dbraw/zinc/62/36/30/810623630.db2.gz AVQLPQHZGCWJAS-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@@H]([N@H+](C)CCCCCC)C1 ZINC001190435694 810628321 /nfs/dbraw/zinc/62/83/21/810628321.db2.gz IUWMYVOCWNGJCI-MRXNPFEDSA-N 1 1 280.456 3.456 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]([N@H+](C)CCCC(C)C)C1 ZINC001190429020 810628884 /nfs/dbraw/zinc/62/88/84/810628884.db2.gz TVHPIDLDTQGBNI-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO CCCCCCCCC[N@@H+](C)C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC001190494050 810629666 /nfs/dbraw/zinc/62/96/66/810629666.db2.gz NKTHMWWQAHWQCZ-IXDOHACOSA-N 1 1 283.456 3.473 20 30 CGEDMO C=CC[N@H+](Cc1cc[nH]c(=O)c1)Cc1ccccc1F ZINC001190485868 810630403 /nfs/dbraw/zinc/63/04/03/810630403.db2.gz REZXTMIFNJSUCV-UHFFFAOYSA-N 1 1 272.323 3.115 20 30 CGEDMO C=CC[N@@H+](Cc1cc[nH]c(=O)c1)Cc1ccccc1F ZINC001190485868 810630410 /nfs/dbraw/zinc/63/04/10/810630410.db2.gz REZXTMIFNJSUCV-UHFFFAOYSA-N 1 1 272.323 3.115 20 30 CGEDMO C#CC[N@H+](C/C=C(/C)COC)[C@H]1CCc2ccccc21 ZINC001190530031 810632457 /nfs/dbraw/zinc/63/24/57/810632457.db2.gz YXERUTSWSIXZGK-RXBGNRNISA-N 1 1 269.388 3.202 20 30 CGEDMO C#CC[N@@H+](CCOC1CCSCC1)C1CCCCC1 ZINC001190708719 810644916 /nfs/dbraw/zinc/64/49/16/810644916.db2.gz UQISGCJMVMIRHC-UHFFFAOYSA-N 1 1 281.465 3.167 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C2(F)CCCC2)C1 ZINC001191061917 810668028 /nfs/dbraw/zinc/66/80/28/810668028.db2.gz NWTROIPRKBZTEW-CABCVRRESA-N 1 1 296.430 3.156 20 30 CGEDMO CCCCCCCCNC(=O)N1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001191068506 810669401 /nfs/dbraw/zinc/66/94/01/810669401.db2.gz PKFADZOUKMJNDV-JKSUJKDBSA-N 1 1 295.471 3.083 20 30 CGEDMO CCCCCCCCNC(=O)NC[C@@H]1CCCC[N@H+]1C ZINC001191074038 810671261 /nfs/dbraw/zinc/67/12/61/810671261.db2.gz BDIYQNNZBHAQQK-HNNXBMFYSA-N 1 1 283.460 3.130 20 30 CGEDMO CC#CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](CC)CCCC)C1 ZINC001191421819 810712831 /nfs/dbraw/zinc/71/28/31/810712831.db2.gz COCSKUUWTYOHCO-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2C)C1 ZINC001191735052 810733679 /nfs/dbraw/zinc/73/36/79/810733679.db2.gz KAFNKYJEUSQVRL-OWCLPIDISA-N 1 1 280.456 3.146 20 30 CGEDMO C=CCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccsc2)C1 ZINC001192093058 810768096 /nfs/dbraw/zinc/76/80/96/810768096.db2.gz GFKWROFIOCZVIG-OAHLLOKOSA-N 1 1 292.448 3.137 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C2CCC(F)CC2)C1 ZINC001192171084 810772491 /nfs/dbraw/zinc/77/24/91/810772491.db2.gz SMFLSMNORDYYFJ-GPANFISMSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[C@H]([N@H+](C)CC/C=C/CC)C1 ZINC001192163546 810772739 /nfs/dbraw/zinc/77/27/39/810772739.db2.gz XJRDPKJCIDBDBH-JBMMNVDBSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C2(CCCC)CC2)C1 ZINC001192199470 810775209 /nfs/dbraw/zinc/77/52/09/810775209.db2.gz ZFUSBGSIODOPHU-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)C[C@H](F)CC)C2)CCC1 ZINC001192227577 810778336 /nfs/dbraw/zinc/77/83/36/810778336.db2.gz SKWRHCRHABKMGM-HUUCEWRRSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)CCCC(C)C)C1 ZINC001192490114 810802726 /nfs/dbraw/zinc/80/27/26/810802726.db2.gz PWYWIPSBZMFSBI-CQSZACIVSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)CCCC(C)C)C1 ZINC001192490114 810802735 /nfs/dbraw/zinc/80/27/35/810802735.db2.gz PWYWIPSBZMFSBI-CQSZACIVSA-N 1 1 286.847 3.098 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)c2cc(Cl)cs2)C1 ZINC001192680565 810815283 /nfs/dbraw/zinc/81/52/83/810815283.db2.gz SVXISIDNCLNXNB-LBPRGKRZSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)CC(C)C)C1 ZINC001193100054 810856198 /nfs/dbraw/zinc/85/61/98/810856198.db2.gz SGQYPYXHAUHASC-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)CC(C)C)C1 ZINC001193100055 810856232 /nfs/dbraw/zinc/85/62/32/810856232.db2.gz SGQYPYXHAUHASC-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C)C(C)(C)C2)cc1 ZINC001193209858 810864186 /nfs/dbraw/zinc/86/41/86/810864186.db2.gz JPDKMFYHWMICBA-HNNXBMFYSA-N 1 1 298.430 3.365 20 30 CGEDMO C=CC[C@@H]([NH2+][C@H](CCCC)C1CCC1)C(=O)OC ZINC001193240555 810865820 /nfs/dbraw/zinc/86/58/20/810865820.db2.gz URSFNADGTJKXLH-ZIAGYGMSSA-N 1 1 253.386 3.053 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)CC(C)C)C1 ZINC001193349919 810875805 /nfs/dbraw/zinc/87/58/05/810875805.db2.gz MDNHAAWEAATGPT-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](F)CCCCCC)C1 ZINC001193479439 810893478 /nfs/dbraw/zinc/89/34/78/810893478.db2.gz VOFDDAWRDWWLPS-HOTGVXAUSA-N 1 1 298.446 3.404 20 30 CGEDMO CCCCCCCCC(=O)N1CC[C@@H]([N@H+](C)CCF)C1 ZINC001193630448 810923076 /nfs/dbraw/zinc/92/30/76/810923076.db2.gz KJHWVAQNQOZFRE-OAHLLOKOSA-N 1 1 286.435 3.239 20 30 CGEDMO CCCCCCCCC(=O)N1CC[C@@H]([N@@H+](C)CCF)C1 ZINC001193630448 810923083 /nfs/dbraw/zinc/92/30/83/810923083.db2.gz KJHWVAQNQOZFRE-OAHLLOKOSA-N 1 1 286.435 3.239 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)CCCCCC)C1 ZINC001193854468 810968853 /nfs/dbraw/zinc/96/88/53/810968853.db2.gz ICAIQKHKRRNYRJ-MRXNPFEDSA-N 1 1 280.456 3.456 20 30 CGEDMO CCCCCCCOC(=O)N[C@H]1CC[N@H+](C(C)C)C1 ZINC001194013362 811000719 /nfs/dbraw/zinc/00/07/19/811000719.db2.gz WKUBHPHQKMRQEZ-AWEZNQCLSA-N 1 1 270.417 3.166 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)C2(CC=C)CCCC2)C1 ZINC001194566267 811091036 /nfs/dbraw/zinc/09/10/36/811091036.db2.gz DGHRKOGSZGCNMP-INIZCTEOSA-N 1 1 290.451 3.232 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@H+](CC)CC(C)(C)C)cc1 ZINC001194624165 811096797 /nfs/dbraw/zinc/09/67/97/811096797.db2.gz AVACARFCGNHMOA-UHFFFAOYSA-N 1 1 286.419 3.365 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1COc1ccccc1 ZINC001194682467 811105904 /nfs/dbraw/zinc/10/59/04/811105904.db2.gz BYRQIZGNFATQKF-ZDUSSCGKSA-N 1 1 251.757 3.282 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H]1COc1ccccc1 ZINC001194682467 811105909 /nfs/dbraw/zinc/10/59/09/811105909.db2.gz BYRQIZGNFATQKF-ZDUSSCGKSA-N 1 1 251.757 3.282 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC001194682103 811105950 /nfs/dbraw/zinc/10/59/50/811105950.db2.gz WTLJCJLSFQNXKF-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)c2ccc(C)o2)CC1 ZINC001194733490 811119512 /nfs/dbraw/zinc/11/95/12/811119512.db2.gz SAPDKTZXPITPFM-AWEZNQCLSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001194898436 811165666 /nfs/dbraw/zinc/16/56/66/811165666.db2.gz HVULYABBHUFOIB-HUUCEWRRSA-N 1 1 296.455 3.435 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001195334247 811242445 /nfs/dbraw/zinc/24/24/45/811242445.db2.gz NVMGGKWZEULFFA-MSOLQXFVSA-N 1 1 270.420 3.159 20 30 CGEDMO CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 ZINC001195516520 811264744 /nfs/dbraw/zinc/26/47/44/811264744.db2.gz UDGJYGYLQGHVSJ-DLBZAZTESA-N 1 1 299.414 3.067 20 30 CGEDMO C#CCCCCC(=O)N1CCC[N@H+](CCC(C)(C)C)CC1 ZINC001195555441 811267666 /nfs/dbraw/zinc/26/76/66/811267666.db2.gz DHJOTPFVCMBITJ-UHFFFAOYSA-N 1 1 292.467 3.151 20 30 CGEDMO CC#CC[N@@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC001195876672 811298402 /nfs/dbraw/zinc/29/84/02/811298402.db2.gz LXAGPTFSAKMFIS-UHFFFAOYSA-N 1 1 251.329 3.328 20 30 CGEDMO CC#CC[N@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC001195876672 811298406 /nfs/dbraw/zinc/29/84/06/811298406.db2.gz LXAGPTFSAKMFIS-UHFFFAOYSA-N 1 1 251.329 3.328 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCC[N@H+](CC[C@H](C)F)CC1 ZINC001195966554 811305398 /nfs/dbraw/zinc/30/53/98/811305398.db2.gz KYLGYWRHWNPKDY-HNNXBMFYSA-N 1 1 296.430 3.037 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCC[N@H+](CC[C@@H](C)F)CC1 ZINC001195966555 811306228 /nfs/dbraw/zinc/30/62/28/811306228.db2.gz KYLGYWRHWNPKDY-OAHLLOKOSA-N 1 1 296.430 3.037 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[N@H+](CC/C=C\CC)CC1 ZINC001196018614 811310987 /nfs/dbraw/zinc/31/09/87/811310987.db2.gz ZJRZEESDOUDQDG-WAYWQWQTSA-N 1 1 278.440 3.233 20 30 CGEDMO C=CCCCCC[N@H+]1CC2(CCC2)[C@@](F)(C(=O)OCC)C1 ZINC001196022781 811311264 /nfs/dbraw/zinc/31/12/64/811311264.db2.gz LPADPHKYOGMHCG-KRWDZBQOSA-N 1 1 297.414 3.490 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@H](C)C2CCC2)CC1 ZINC001196259658 811329276 /nfs/dbraw/zinc/32/92/76/811329276.db2.gz NHYUAYJNSXTKAR-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO CCC(O)(CC)C[N@@H+](C)Cc1c(C)cc(C#N)cc1C ZINC001196685626 811357882 /nfs/dbraw/zinc/35/78/82/811357882.db2.gz ZKGWZMYOFOQCPD-UHFFFAOYSA-N 1 1 274.408 3.158 20 30 CGEDMO C=C[C@H](C)[C@H](C)C(=O)N1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC001196855128 811375177 /nfs/dbraw/zinc/37/51/77/811375177.db2.gz YVVMERZECQLVAK-HOTGVXAUSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC[N@H+](C[C@@H](C)CC)CC1 ZINC001196889320 811378407 /nfs/dbraw/zinc/37/84/07/811378407.db2.gz BTVWOMAWQSUICC-HOTGVXAUSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H](C)CC(=C)C)CC1 ZINC001196881181 811378728 /nfs/dbraw/zinc/37/87/28/811378728.db2.gz QOWHPDKYUFKEKG-DLBZAZTESA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CCC[N@H+](CCCCC)CC1 ZINC001196895171 811379134 /nfs/dbraw/zinc/37/91/34/811379134.db2.gz HQHNRCMGTKSQHH-INIZCTEOSA-N 1 1 280.456 3.313 20 30 CGEDMO Clc1ccc(C#CC[N@H+]2CC[C@@H]3CSC[C@H]3C2)cc1 ZINC001197032788 811390605 /nfs/dbraw/zinc/39/06/05/811390605.db2.gz SKILVWIQARMDPI-HUUCEWRRSA-N 1 1 291.847 3.376 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC001197082110 811397119 /nfs/dbraw/zinc/39/71/19/811397119.db2.gz BPQPDKRNEBPAJN-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)C2(CCC)CC2)CC1 ZINC001197111062 811399519 /nfs/dbraw/zinc/39/95/19/811399519.db2.gz UPLFVQAOZWMEPO-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C#CCC[N@@H+]1CCCN(C(=O)C[C@H](C)CCCCC)CC1 ZINC001197354105 811419554 /nfs/dbraw/zinc/41/95/54/811419554.db2.gz NBUZATFOEURYDH-QGZVFWFLSA-N 1 1 292.467 3.151 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@@H](CC)CCC)CC1 ZINC001197577106 811430227 /nfs/dbraw/zinc/43/02/27/811430227.db2.gz DZYRKEMCRBIFMR-INIZCTEOSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)[C@H](CC)CC(C)C)CC1 ZINC001197747256 811450338 /nfs/dbraw/zinc/45/03/38/811450338.db2.gz NHEDUJPVSQCFSK-MRXNPFEDSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1ccc(OCC)cn1 ZINC001198406618 811499236 /nfs/dbraw/zinc/49/92/36/811499236.db2.gz JTHUIJZSKSCRJH-OAHLLOKOSA-N 1 1 260.381 3.411 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1ccccc1OCC1CC1 ZINC001200703470 811738079 /nfs/dbraw/zinc/73/80/79/811738079.db2.gz NXEQIFYHBQJSFG-UHFFFAOYSA-N 1 1 251.757 3.318 20 30 CGEDMO C=CC[N@@H+](Cc1cc(Br)c[nH]c1=O)C(C)(C)C ZINC001233190094 818537617 /nfs/dbraw/zinc/53/76/17/818537617.db2.gz HWAXXXIWEFNQEN-UHFFFAOYSA-N 1 1 299.212 3.336 20 30 CGEDMO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](CC1CCCCC1)C2 ZINC001201397586 811827673 /nfs/dbraw/zinc/82/76/73/811827673.db2.gz NAVUWEJIXFZCGZ-QZTJIDSGSA-N 1 1 293.451 3.393 20 30 CGEDMO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](CC(CC)CC)C2 ZINC001201526234 811885054 /nfs/dbraw/zinc/88/50/54/811885054.db2.gz UGOWFRRFVSQPDF-MSOLQXFVSA-N 1 1 295.467 3.496 20 30 CGEDMO CCCC[C@@H](CC)C[N@H+]1CCC2SC(=O)C=C2C1 ZINC001201559431 811903537 /nfs/dbraw/zinc/90/35/37/811903537.db2.gz JSDQJGGJMSCYLV-TZMCWYRMSA-N 1 1 267.438 3.477 20 30 CGEDMO C=CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1CCCCCC ZINC001201755013 811960135 /nfs/dbraw/zinc/96/01/35/811960135.db2.gz RPCPITTVDSDEHF-INIZCTEOSA-N 1 1 291.439 3.102 20 30 CGEDMO CCCCCCC[N@H+]1CCC2SC(=O)C=C2C1 ZINC001201762355 811963286 /nfs/dbraw/zinc/96/32/86/811963286.db2.gz HIUFQLVIQQLYLR-CYBMUJFWSA-N 1 1 253.411 3.231 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCc3ccc(C#N)cc3C2)o1 ZINC001203290816 812295190 /nfs/dbraw/zinc/29/51/90/812295190.db2.gz SMJLILQGRQSODB-UHFFFAOYSA-N 1 1 252.317 3.018 20 30 CGEDMO Cc1ccc(C[N@H+]2CCc3ccc(C#N)cc3C2)o1 ZINC001203290816 812295199 /nfs/dbraw/zinc/29/51/99/812295199.db2.gz SMJLILQGRQSODB-UHFFFAOYSA-N 1 1 252.317 3.018 20 30 CGEDMO C#CCC1([NH2+]Cc2c(O)ccc(Cl)c2F)CCC1 ZINC001203783154 812459561 /nfs/dbraw/zinc/45/95/61/812459561.db2.gz QWDFJNBZDQVRBX-UHFFFAOYSA-N 1 1 267.731 3.220 20 30 CGEDMO CCOc1cc(C[N@H+]2CCC[C@H](C#N)CC2)ccc1OC ZINC001204191737 812571321 /nfs/dbraw/zinc/57/13/21/812571321.db2.gz XEVACXOOXJBBKB-AWEZNQCLSA-N 1 1 288.391 3.220 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(F)cccc1F ZINC001204205462 812573198 /nfs/dbraw/zinc/57/31/98/812573198.db2.gz UUVFGPPVVFNHDV-CNDDSTCGSA-N 1 1 262.303 3.231 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(F)cccc1F ZINC001204205462 812573200 /nfs/dbraw/zinc/57/32/00/812573200.db2.gz UUVFGPPVVFNHDV-CNDDSTCGSA-N 1 1 262.303 3.231 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)cc1C ZINC001204352084 812617107 /nfs/dbraw/zinc/61/71/07/812617107.db2.gz OKTGSTFNMZKUSO-HNNXBMFYSA-N 1 1 273.401 3.078 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCC3SC(=O)C=C3C2)cc1C ZINC001204352084 812617114 /nfs/dbraw/zinc/61/71/14/812617114.db2.gz OKTGSTFNMZKUSO-HNNXBMFYSA-N 1 1 273.401 3.078 20 30 CGEDMO CCc1ccc(C[N@@H+]2CCc3ccc(C#N)cc3C2)o1 ZINC001204389597 812626651 /nfs/dbraw/zinc/62/66/51/812626651.db2.gz SKAKGIDWEOQZCL-UHFFFAOYSA-N 1 1 266.344 3.272 20 30 CGEDMO CCc1ccc(C[N@H+]2CCc3ccc(C#N)cc3C2)o1 ZINC001204389597 812626657 /nfs/dbraw/zinc/62/66/57/812626657.db2.gz SKAKGIDWEOQZCL-UHFFFAOYSA-N 1 1 266.344 3.272 20 30 CGEDMO Cc1c[nH+]c(Nc2c(C)cc(C#N)cc2C)c(N)c1 ZINC001215645557 815550542 /nfs/dbraw/zinc/55/05/42/815550542.db2.gz QIZQGNXPMABPLU-UHFFFAOYSA-N 1 1 252.321 3.204 20 30 CGEDMO C=CCO[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC001205037859 812837178 /nfs/dbraw/zinc/83/71/78/812837178.db2.gz VFMFYAZHLJWKQK-BRWVUGGUSA-N 1 1 257.377 3.100 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc(F)c(C#N)c1)C1CCN(C)CC1 ZINC001205502365 812992754 /nfs/dbraw/zinc/99/27/54/812992754.db2.gz SGWXNLZJJCGJQB-UHFFFAOYSA-N 1 1 289.398 3.002 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OCCCC#N ZINC001205622380 813030959 /nfs/dbraw/zinc/03/09/59/813030959.db2.gz SUUZNPQIIAVWOS-DOTOQJQBSA-N 1 1 272.392 3.217 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC2CCCC2)C1 ZINC001205827213 813098664 /nfs/dbraw/zinc/09/86/64/813098664.db2.gz HKZIDGGHOUSSBR-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C[C@H]1CN(Cc2ccc(Cl)cc2C#N)CCC[C@H]1C[NH3+] ZINC001206013738 813164957 /nfs/dbraw/zinc/16/49/57/813164957.db2.gz UAEAPAGBHHTIBP-STQMWFEESA-N 1 1 291.826 3.018 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@](N)(C(F)(F)F)C2)CC1 ZINC001206209462 813241287 /nfs/dbraw/zinc/24/12/87/813241287.db2.gz FMASLPUULNDKMN-KGLIPLIRSA-N 1 1 288.357 3.255 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc3c(cccc3O)s2)C1 ZINC001206464819 813328247 /nfs/dbraw/zinc/32/82/47/813328247.db2.gz WYTGOQXQEWKCDI-GFCCVEGCSA-N 1 1 271.385 3.452 20 30 CGEDMO CCCCCCC[C@@H](C)OCCCN1CC[NH+](C)CC1 ZINC001206588884 813365125 /nfs/dbraw/zinc/36/51/25/813365125.db2.gz BSAIRKGKQXFHED-QGZVFWFLSA-N 1 1 284.488 3.390 20 30 CGEDMO C=C(C)CO[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC001206736046 813413157 /nfs/dbraw/zinc/41/31/57/813413157.db2.gz LMQJHVOSUIJKST-WBVHZDCISA-N 1 1 259.393 3.490 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1Nc1cc(F)cc(C#N)c1 ZINC001206737610 813413939 /nfs/dbraw/zinc/41/39/39/813413939.db2.gz RHEZCZBSSVORDN-UHFFFAOYSA-N 1 1 270.311 3.210 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1Nc1ccc(C#N)c(F)c1 ZINC001206744847 813417009 /nfs/dbraw/zinc/41/70/09/813417009.db2.gz ZVWNBELNBLOJRO-UHFFFAOYSA-N 1 1 270.311 3.210 20 30 CGEDMO C=C(C)CO[C@@H]1CCC[N@H+]([C@H](C)c2ccccn2)C1 ZINC001206750394 813420251 /nfs/dbraw/zinc/42/02/51/813420251.db2.gz HZTAVTSHZKHILA-HUUCEWRRSA-N 1 1 260.381 3.200 20 30 CGEDMO COc1cc(C)ccc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001206768761 813430582 /nfs/dbraw/zinc/43/05/82/813430582.db2.gz AMSBLZAJFAYNEQ-CQSZACIVSA-N 1 1 258.365 3.129 20 30 CGEDMO N#CCc1cccc2c1CC[N@H+](CCc1ccc(F)cc1)C2 ZINC001207007909 813465936 /nfs/dbraw/zinc/46/59/36/813465936.db2.gz JWKDEGFWQTYAJJ-UHFFFAOYSA-N 1 1 294.373 3.493 20 30 CGEDMO N#C[C@@H]1CC[N@@H+](CCCc2ccc(Br)cc2)C1 ZINC001207322124 813541243 /nfs/dbraw/zinc/54/12/43/813541243.db2.gz IOWGHKQPMWWDST-ZDUSSCGKSA-N 1 1 293.208 3.227 20 30 CGEDMO N#C[C@@H]1CC[N@H+](CCCc2ccc(Br)cc2)C1 ZINC001207322124 813541247 /nfs/dbraw/zinc/54/12/47/813541247.db2.gz IOWGHKQPMWWDST-ZDUSSCGKSA-N 1 1 293.208 3.227 20 30 CGEDMO COc1ccc(CC[N@H+]2CCc3cc(C#N)ccc3C2)cc1 ZINC001207472198 813570852 /nfs/dbraw/zinc/57/08/52/813570852.db2.gz JHOPVFQLDUSJSD-UHFFFAOYSA-N 1 1 292.382 3.168 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccccc1F ZINC001207505020 813579652 /nfs/dbraw/zinc/57/96/52/813579652.db2.gz SLQFHDLDFMHCBD-XMQYKBBCSA-N 1 1 258.340 3.135 20 30 CGEDMO N#Cc1ccc2c(c1)CC[N@H+](CC1CCSCC1)C2 ZINC001207697023 813637762 /nfs/dbraw/zinc/63/77/62/813637762.db2.gz UMQFLDRXIHXBGQ-UHFFFAOYSA-N 1 1 272.417 3.060 20 30 CGEDMO C=CCC1(O)C[NH+]([C@H]2C[C@H](C)Sc3sccc32)C1 ZINC001207804695 813654176 /nfs/dbraw/zinc/65/41/76/813654176.db2.gz CCZNLEYMKZXYDK-JQWIXIFHSA-N 1 1 281.446 3.296 20 30 CGEDMO C=CC[N@H+](C)CC1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001207814956 813655325 /nfs/dbraw/zinc/65/53/25/813655325.db2.gz DWWHHZVBUVDSRM-UHFFFAOYSA-N 1 1 282.428 3.141 20 30 CGEDMO CCCCCCC/C=C/C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001208117970 813696370 /nfs/dbraw/zinc/69/63/70/813696370.db2.gz ABLKACRKZRXADK-AEHISBCRSA-N 1 1 264.457 3.397 20 30 CGEDMO CCCCCCC/C=C/C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001208117970 813696373 /nfs/dbraw/zinc/69/63/73/813696373.db2.gz ABLKACRKZRXADK-AEHISBCRSA-N 1 1 264.457 3.397 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC001208118502 813696568 /nfs/dbraw/zinc/69/65/68/813696568.db2.gz JSBFAYSLRPLIBE-GFOMBABLSA-N 1 1 294.483 3.310 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1C[C@@H]2COC[C@]2(COC)C1 ZINC001208118830 813697616 /nfs/dbraw/zinc/69/76/16/813697616.db2.gz PGALKRMMECOEHZ-AQRBRUGDSA-N 1 1 295.467 3.498 20 30 CGEDMO CCCCCCC/C=C/C[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC001208120241 813697823 /nfs/dbraw/zinc/69/78/23/813697823.db2.gz OVIAAGVGDBZXLK-VMFRVMOISA-N 1 1 257.393 3.308 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC001208120241 813697826 /nfs/dbraw/zinc/69/78/26/813697826.db2.gz OVIAAGVGDBZXLK-VMFRVMOISA-N 1 1 257.393 3.308 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@H](C)[C@@H]2CO)CC1 ZINC001208171748 813725249 /nfs/dbraw/zinc/72/52/49/813725249.db2.gz YRNQBXJIATXRFV-UAGQMJEPSA-N 1 1 263.425 3.382 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](CC2(c3ccccc3)CCOCC2)C1 ZINC001208227241 813749521 /nfs/dbraw/zinc/74/95/21/813749521.db2.gz KRRYSFOCKHXDJE-QGZVFWFLSA-N 1 1 298.430 3.360 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](CC2(c3ccccc3)CCOCC2)C1 ZINC001208238252 813751960 /nfs/dbraw/zinc/75/19/60/813751960.db2.gz UHKFGKKSEZJLFP-KRWDZBQOSA-N 1 1 283.415 3.080 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001208320956 813753963 /nfs/dbraw/zinc/75/39/63/813753963.db2.gz FPTFTIFADLOAIE-XUWVNRHRSA-N 1 1 280.456 3.049 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(CCC)CC2)C1 ZINC001208538273 813765503 /nfs/dbraw/zinc/76/55/03/813765503.db2.gz HTOPKSFAWKGQPK-BZUAXINKSA-N 1 1 292.467 3.358 20 30 CGEDMO N#C[C@@H]1CCCN1C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001208583148 813769091 /nfs/dbraw/zinc/76/90/91/813769091.db2.gz XEDVSVFRASXOBX-ROUUACIJSA-N 1 1 283.419 3.029 20 30 CGEDMO COC(=O)[C@H]1CC[C@H](C[N@@H+](CCC#N)C2CCCC2)CC1 ZINC001208631105 813779176 /nfs/dbraw/zinc/77/91/76/813779176.db2.gz POJVRZMFAQYAGS-SHTZXODSSA-N 1 1 292.423 3.124 20 30 CGEDMO C[N@@H+](CCCc1cccc(C#N)c1)CCc1ccccn1 ZINC001208848577 813863702 /nfs/dbraw/zinc/86/37/02/813863702.db2.gz RRLYAFFFICYATP-UHFFFAOYSA-N 1 1 279.387 3.060 20 30 CGEDMO N#Cc1ccc(CCC[N@H+]2CC[C@@H](c3ccccn3)C2)cc1 ZINC001208858926 813871718 /nfs/dbraw/zinc/87/17/18/813871718.db2.gz QJKVMDMTEAGTJY-GOSISDBHSA-N 1 1 291.398 3.375 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)CC=C)C1 ZINC001208954520 813911175 /nfs/dbraw/zinc/91/11/75/813911175.db2.gz NMKYPQCHUJUOJA-OWCLPIDISA-N 1 1 292.467 3.380 20 30 CGEDMO N#CCC[N@@H+](CCOC(=O)c1ccccc1)C1CCCC1 ZINC001209043979 813922064 /nfs/dbraw/zinc/92/20/64/813922064.db2.gz INTANYDXVAZUBS-UHFFFAOYSA-N 1 1 286.375 3.002 20 30 CGEDMO N#CCC[N@H+](CCOC(=O)c1ccccc1)C1CCCC1 ZINC001209043979 813922070 /nfs/dbraw/zinc/92/20/70/813922070.db2.gz INTANYDXVAZUBS-UHFFFAOYSA-N 1 1 286.375 3.002 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@@H+](CCc1cc(F)cc(F)c1)CC2 ZINC001209128041 813942615 /nfs/dbraw/zinc/94/26/15/813942615.db2.gz IZZWOEUOAFRFKN-UHFFFAOYSA-N 1 1 298.336 3.437 20 30 CGEDMO C=CCCC[N@H+]1CCN(CC2CC2)c2nc(C)ccc2C1 ZINC001209160842 813951726 /nfs/dbraw/zinc/95/17/26/813951726.db2.gz APBGDNSALGOZNS-UHFFFAOYSA-N 1 1 285.435 3.388 20 30 CGEDMO C=CCCC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC001209160303 813952516 /nfs/dbraw/zinc/95/25/16/813952516.db2.gz OKYSQTZZTXIXEH-AWEZNQCLSA-N 1 1 282.428 3.284 20 30 CGEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)CCCCC)C1 ZINC001209178803 813956623 /nfs/dbraw/zinc/95/66/23/813956623.db2.gz SRRIJHDJXTXFFU-GVDBMIGSSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCCC[N@H+]1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001209201020 813965378 /nfs/dbraw/zinc/96/53/78/813965378.db2.gz SYHVMBZJWWAHLM-MSOLQXFVSA-N 1 1 285.435 3.087 20 30 CGEDMO C#CCCC[N@H+]1CCC[C@@]2(C[C@@H](c3ccccc3)CO2)C1 ZINC001209264138 813987850 /nfs/dbraw/zinc/98/78/50/813987850.db2.gz WKGMREHLISRAIS-RTBURBONSA-N 1 1 283.415 3.439 20 30 CGEDMO C#CCCC[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001209265833 813988262 /nfs/dbraw/zinc/98/82/62/813988262.db2.gz KVDHWUMXCROIPQ-UHFFFAOYSA-N 1 1 256.393 3.132 20 30 CGEDMO C#CCCC[N@H+]1Cc2cnc(-c3ccc(F)cc3)nc2C1 ZINC001209269938 813989721 /nfs/dbraw/zinc/98/97/21/813989721.db2.gz ROPLRCKZKQVKNY-UHFFFAOYSA-N 1 1 281.334 3.012 20 30 CGEDMO C#CCCC[N@@H+]1Cc2cnc(-c3ccc(F)cc3)nc2C1 ZINC001209269938 813989725 /nfs/dbraw/zinc/98/97/25/813989725.db2.gz ROPLRCKZKQVKNY-UHFFFAOYSA-N 1 1 281.334 3.012 20 30 CGEDMO C=CCCCCC[N@H+](CCO)Cc1cccs1 ZINC001209426881 814028215 /nfs/dbraw/zinc/02/82/15/814028215.db2.gz AARICJGSGBGEIV-UHFFFAOYSA-N 1 1 253.411 3.289 20 30 CGEDMO C=CCCCCCC[N@@H+]1CCC[C@](C)(C(=O)OC)C1 ZINC001209435628 814037379 /nfs/dbraw/zinc/03/73/79/814037379.db2.gz GXMFJKCKCCTGGR-INIZCTEOSA-N 1 1 267.413 3.398 20 30 CGEDMO C=CCCCCCC[N@H+]1CCc2ncnc(OC)c2CC1 ZINC001209436737 814037506 /nfs/dbraw/zinc/03/75/06/814037506.db2.gz ATXYGFJIKYWNOE-UHFFFAOYSA-N 1 1 289.423 3.022 20 30 CGEDMO C=CCCCCCC[N@H+]1CC[C@H](Oc2ncccn2)C1 ZINC001209438589 814039699 /nfs/dbraw/zinc/03/96/99/814039699.db2.gz OTCSJOPYXGCPGS-HNNXBMFYSA-N 1 1 275.396 3.066 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2c[nH]c3ccc(C)cc23)C1 ZINC001209492862 814060988 /nfs/dbraw/zinc/06/09/88/814060988.db2.gz CPJZQYMUSDJQKH-CQSZACIVSA-N 1 1 252.361 3.322 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(-n2c(C)ccc2C)cc1 ZINC001209517249 814070538 /nfs/dbraw/zinc/07/05/38/814070538.db2.gz FIJFFXNRJSISTC-UHFFFAOYSA-N 1 1 252.361 3.159 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1nn(C)c2ccccc21 ZINC001209583130 814091005 /nfs/dbraw/zinc/09/10/05/814091005.db2.gz GRQAJCJLMUPYOS-UHFFFAOYSA-N 1 1 257.381 3.361 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](Cc2c[nH]c3cc(F)ccc23)C1 ZINC001209696868 814114803 /nfs/dbraw/zinc/11/48/03/814114803.db2.gz YBIKDWHPXCUWKV-HNNXBMFYSA-N 1 1 257.312 3.043 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](Cc2c[nH]c3cc(F)ccc23)C1 ZINC001209696868 814114806 /nfs/dbraw/zinc/11/48/06/814114806.db2.gz YBIKDWHPXCUWKV-HNNXBMFYSA-N 1 1 257.312 3.043 20 30 CGEDMO Cn1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)c2cccnc21 ZINC001209748631 814129106 /nfs/dbraw/zinc/12/91/06/814129106.db2.gz ITYBVUMIWTTWQS-UHFFFAOYSA-N 1 1 290.370 3.077 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](CC)C(C)C)C1 ZINC001210421973 814450875 /nfs/dbraw/zinc/45/08/75/814450875.db2.gz SDSGORYBUKQGAE-BRWVUGGUSA-N 1 1 294.483 3.461 20 30 CGEDMO CCCCCCCCCCC[N@@H+]1CCNC[C@@H]1COC ZINC001210520458 814506479 /nfs/dbraw/zinc/50/64/79/814506479.db2.gz YYERAUQGVDVKSW-QGZVFWFLSA-N 1 1 284.488 3.437 20 30 CGEDMO CCCCCCCCCCC[N@H+]1CCNC[C@@H]1COC ZINC001210520458 814506484 /nfs/dbraw/zinc/50/64/84/814506484.db2.gz YYERAUQGVDVKSW-QGZVFWFLSA-N 1 1 284.488 3.437 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CCC)CC(C)C)C1 ZINC001211405763 814889292 /nfs/dbraw/zinc/88/92/92/814889292.db2.gz DXYUFQRKAWMWGT-IXDOHACOSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C/C=C/c2ccc(C)cc2)C1 ZINC001211512743 814900343 /nfs/dbraw/zinc/90/03/43/814900343.db2.gz CDZDIDMPFNOMEZ-WXFDERKXSA-N 1 1 298.430 3.021 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2ccncn2)cc1 ZINC001242920625 823172740 /nfs/dbraw/zinc/17/27/40/823172740.db2.gz GGMROPQJJVHHQV-KRWDZBQOSA-N 1 1 265.360 3.467 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C)[C@H](Oc2nc(CC)nc3c2C[NH2+]C3)C1 ZINC001218215728 816130263 /nfs/dbraw/zinc/13/02/63/816130263.db2.gz ADNJREFBUMZPDQ-CZUORRHYSA-N 1 1 299.418 3.322 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)CC(C)(C)C)[C@@H]2C1 ZINC001221833689 816329287 /nfs/dbraw/zinc/32/92/87/816329287.db2.gz XJCOOCXOVAWQDA-ARFHVFGLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C)[C@@H]2C1 ZINC001221966800 816337910 /nfs/dbraw/zinc/33/79/10/816337910.db2.gz FPGHMVPFFVOSFE-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO CCCCCCCCC(=O)N1C[C@H]2CC[N@H+](CCF)C[C@H]21 ZINC001221973522 816339087 /nfs/dbraw/zinc/33/90/87/816339087.db2.gz BBSHITHJLZVKGB-HZPDHXFCSA-N 1 1 298.446 3.239 20 30 CGEDMO CCCCCCCCC(=O)N1C[C@H]2CC[N@@H+](CCF)C[C@H]21 ZINC001221973522 816339095 /nfs/dbraw/zinc/33/90/95/816339095.db2.gz BBSHITHJLZVKGB-HZPDHXFCSA-N 1 1 298.446 3.239 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CCC)CC(C)C)[C@@H]2C1 ZINC001222062317 816341066 /nfs/dbraw/zinc/34/10/66/816341066.db2.gz QWMTVQRPJAQJJU-GVDBMIGSSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCC(C)C)C[C@@H]21 ZINC001222257060 816389753 /nfs/dbraw/zinc/38/97/53/816389753.db2.gz CMWIRDIQXBQWAZ-SJORKVTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)C[C@H](C)CC)C[C@@H]21 ZINC001222589417 816473180 /nfs/dbraw/zinc/47/31/80/816473180.db2.gz ZMLYNHKJNXZQNO-YUELXQCFSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H](C)CC)C[C@@H]21 ZINC001222589417 816473182 /nfs/dbraw/zinc/47/31/82/816473182.db2.gz ZMLYNHKJNXZQNO-YUELXQCFSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2CC[N@H+](CC(C)C)[C@H]2C1 ZINC001223344340 816610586 /nfs/dbraw/zinc/61/05/86/816610586.db2.gz JJUQRBZLJCZYBG-BBWFWOEESA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H](CC)C(C)C)C[C@@H]21 ZINC001223931911 816704369 /nfs/dbraw/zinc/70/43/69/816704369.db2.gz HJGDPZILWROWLG-BBWFWOEESA-N 1 1 292.467 3.168 20 30 CGEDMO C[C@@H](O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC001223963831 816710879 /nfs/dbraw/zinc/71/08/79/816710879.db2.gz RAUSBKDYRZVDKR-VPFLJSNFSA-N 1 1 293.794 3.030 20 30 CGEDMO C[C@@H](O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC001223963831 816710885 /nfs/dbraw/zinc/71/08/85/816710885.db2.gz RAUSBKDYRZVDKR-VPFLJSNFSA-N 1 1 293.794 3.030 20 30 CGEDMO C[N@H+]1CC[C@H](O/C(=N/c2ccccc2)c2ccccc2)C1 ZINC001224088807 816731818 /nfs/dbraw/zinc/73/18/18/816731818.db2.gz ZCABEVCVQRAGTL-SISFKGJESA-N 1 1 280.371 3.486 20 30 CGEDMO C=CCCCO[C@@H]1CC[N@H+]([C@@H](C)c2ccccn2)C1 ZINC001224511860 816817765 /nfs/dbraw/zinc/81/77/65/816817765.db2.gz VJOVYBFIBXHCKG-LSDHHAIUSA-N 1 1 260.381 3.200 20 30 CGEDMO CCCCCCCCO[C@@H](C)C[NH+]1CCOCC1 ZINC001224570084 816828063 /nfs/dbraw/zinc/82/80/63/816828063.db2.gz HFAAYTNGZYSAPZ-HNNXBMFYSA-N 1 1 257.418 3.084 20 30 CGEDMO CCCCCCCCCCOC[C@@H]1C[N@H+](C)CCO1 ZINC001224581078 816832100 /nfs/dbraw/zinc/83/21/00/816832100.db2.gz NBDUOVRHAPWBOA-INIZCTEOSA-N 1 1 271.445 3.474 20 30 CGEDMO CCCCCCCCCCOC[C@@H]1C[N@@H+](C)CCO1 ZINC001224581078 816832110 /nfs/dbraw/zinc/83/21/10/816832110.db2.gz NBDUOVRHAPWBOA-INIZCTEOSA-N 1 1 271.445 3.474 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1OCC1(C#N)CC1 ZINC001224949142 816915440 /nfs/dbraw/zinc/91/54/40/816915440.db2.gz YOGQAGOLRNDPHK-RDJZCZTQSA-N 1 1 284.403 3.217 20 30 CGEDMO N#Cc1cccc(O[C@H]2CCN3Cc4ccccc4[NH+]=C23)c1 ZINC001225224837 816969258 /nfs/dbraw/zinc/96/92/58/816969258.db2.gz HAPQGTIPXXUHCB-KRWDZBQOSA-N 1 1 289.338 3.255 20 30 CGEDMO N#CCc1ccc(OC2C[NH+](Cc3ccccc3)C2)cc1 ZINC001225263720 816986183 /nfs/dbraw/zinc/98/61/83/816986183.db2.gz ICNVNSWFRPOOTH-UHFFFAOYSA-N 1 1 278.355 3.016 20 30 CGEDMO C[N@H+]1CC[C@@H](Oc2ccc(-c3ccc(C#N)cc3)cc2)C1 ZINC001225335805 817015644 /nfs/dbraw/zinc/01/56/44/817015644.db2.gz WFFFOSLHAQDBEO-GOSISDBHSA-N 1 1 278.355 3.308 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)C[C@@H](C)C2CC2)CC1 ZINC001225597469 817107286 /nfs/dbraw/zinc/10/72/86/817107286.db2.gz PUNHNVFREORJFC-GFCCVEGCSA-N 1 1 298.858 3.003 20 30 CGEDMO C[C@@H](C#C[Si](C)(C)C)Oc1cc(N)[nH+]c2ccccc21 ZINC001226423138 817353218 /nfs/dbraw/zinc/35/32/18/817353218.db2.gz STYCVONJDXJMCB-LBPRGKRZSA-N 1 1 284.435 3.465 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)C[C@H](C)C(C)C)CC1 ZINC001226535256 817391309 /nfs/dbraw/zinc/39/13/09/817391309.db2.gz RTXVNVLWQCTNHZ-LBPRGKRZSA-N 1 1 286.847 3.002 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](Oc2ccc(C#N)c(Cl)c2)C1 ZINC001227203967 817589874 /nfs/dbraw/zinc/58/98/74/817589874.db2.gz DQFFFZAJYNWHIW-CYBMUJFWSA-N 1 1 264.756 3.073 20 30 CGEDMO CC[N@H+]1CCC[C@@H](Oc2ccc(/C=C/C(C)=O)cc2)C1 ZINC001228493960 817921692 /nfs/dbraw/zinc/92/16/92/817921692.db2.gz HGMVPYIZRKWYGM-DKRLNXSXSA-N 1 1 273.376 3.152 20 30 CGEDMO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC/C=C/CCC ZINC001231169955 818050553 /nfs/dbraw/zinc/05/05/53/818050553.db2.gz LRZMMXKKNWIHJE-FDMDGMSGSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1CC1CC2(CCC2)C1 ZINC001231169546 818050682 /nfs/dbraw/zinc/05/06/82/818050682.db2.gz IVHFWECOKZQVJR-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H](C)C(C)C ZINC001231179558 818052814 /nfs/dbraw/zinc/05/28/14/818052814.db2.gz UFGQAFNCEZSJNK-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1CCCCCC ZINC001231179952 818055112 /nfs/dbraw/zinc/05/51/12/818055112.db2.gz YALIPDHAZMKSSG-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO C=C(C)C(=O)Nc1ccc(O[C@@H]2CCC[N@H+](CC)C2)cc1 ZINC001231319042 818075084 /nfs/dbraw/zinc/07/50/84/818075084.db2.gz ZXCDMCLFEVJJTM-MRXNPFEDSA-N 1 1 288.391 3.064 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)c1ccccc1F ZINC001231336243 818078136 /nfs/dbraw/zinc/07/81/36/818078136.db2.gz RLIGGEHPMBNTFV-CQSZACIVSA-N 1 1 292.398 3.232 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H](Oc2ccc3ccc(C#N)cc3n2)C1 ZINC001231366666 818086128 /nfs/dbraw/zinc/08/61/28/818086128.db2.gz GPFNQRBDMIXPEX-MRXNPFEDSA-N 1 1 295.386 3.358 20 30 CGEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc3ccc(C#N)cc3n1)C2 ZINC001231371472 818087711 /nfs/dbraw/zinc/08/77/11/818087711.db2.gz VOCKMFMTFDRZLN-MUJYYYPQSA-N 1 1 293.370 3.110 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(OCCCOC)cc1 ZINC001231510444 818117561 /nfs/dbraw/zinc/11/75/61/818117561.db2.gz XTSCYZVSWKCECP-UHFFFAOYSA-N 1 1 277.408 3.500 20 30 CGEDMO COC[C@@H]1CC[N@H+]1Cc1ccccc1C#Cc1ccccc1 ZINC001231578180 818128238 /nfs/dbraw/zinc/12/82/38/818128238.db2.gz JSTGCUDHTNATJF-FQEVSTJZSA-N 1 1 291.394 3.307 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](C(F)F)C1 ZINC001231618588 818138291 /nfs/dbraw/zinc/13/82/91/818138291.db2.gz OSODNGIEOBTWPG-CYBMUJFWSA-N 1 1 280.318 3.044 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CC[C@H]3O[C@@H](C)C[C@H]3C2)c1 ZINC001231621702 818138493 /nfs/dbraw/zinc/13/84/93/818138493.db2.gz HTTVSYSZXSWRFJ-QILLFSRXSA-N 1 1 287.403 3.251 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCOC[C@@H]2C(C)C)c1 ZINC001231624576 818140314 /nfs/dbraw/zinc/14/03/14/818140314.db2.gz QMNLOUDQVYPESU-QGZVFWFLSA-N 1 1 275.392 3.108 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](C)CCc2cccnc2)c1 ZINC001231624888 818140923 /nfs/dbraw/zinc/14/09/23/818140923.db2.gz GMPPHZGNIWUEHJ-UHFFFAOYSA-N 1 1 282.387 3.321 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CC[C@H](c3ccccn3)C2)c1 ZINC001231659713 818152203 /nfs/dbraw/zinc/15/22/03/818152203.db2.gz RQKQWKXGOOASGZ-KRWDZBQOSA-N 1 1 262.356 3.052 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CCC[C@H]2C(C)(C)OC)c1 ZINC001231663256 818153764 /nfs/dbraw/zinc/15/37/64/818153764.db2.gz PGLNMXNZLDNQQK-INIZCTEOSA-N 1 1 257.377 3.057 20 30 CGEDMO C#Cc1cccc(C[N@@H+](C)C[C@@H]2Cc3ccccc3O2)c1 ZINC001231664945 818153913 /nfs/dbraw/zinc/15/39/13/818153913.db2.gz ZXDLZNXEANAOEW-SFHVURJKSA-N 1 1 277.367 3.103 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)cc1Cl ZINC001232111440 818258556 /nfs/dbraw/zinc/25/85/56/818258556.db2.gz GXBRFQNYOPGWTA-HOCLYGCPSA-N 1 1 290.794 3.213 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cnc(Br)cc1C ZINC001232320690 818313772 /nfs/dbraw/zinc/31/37/72/818313772.db2.gz YAGXLMXUUPUPGV-UHFFFAOYSA-N 1 1 281.197 3.327 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(OC)c(Cl)cc2OC)C1 ZINC001232374333 818329700 /nfs/dbraw/zinc/32/97/00/818329700.db2.gz QQANKGUWPVFZLS-GFCCVEGCSA-N 1 1 293.794 3.202 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(OC)c(Cl)cc2OC)C1 ZINC001232374333 818329704 /nfs/dbraw/zinc/32/97/04/818329704.db2.gz QQANKGUWPVFZLS-GFCCVEGCSA-N 1 1 293.794 3.202 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(OC)ccc2OC(C)C)C1 ZINC001232390846 818335982 /nfs/dbraw/zinc/33/59/82/818335982.db2.gz PHMVQXRGYWSVMG-HNNXBMFYSA-N 1 1 287.403 3.328 20 30 CGEDMO N#Cc1ccnc(C[N@H+]2CCC[C@H]2c2cccc(F)c2)c1 ZINC001232481160 818366952 /nfs/dbraw/zinc/36/69/52/818366952.db2.gz WPIBCKGDIMDVDK-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1ccnc(C[N@@H+]2CCC[C@H]2c2cccc(F)c2)c1 ZINC001232481160 818366958 /nfs/dbraw/zinc/36/69/58/818366958.db2.gz WPIBCKGDIMDVDK-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1ccnc(C[N@H+]2CCC[C@@H]2c2ccccc2F)c1 ZINC001232481209 818367014 /nfs/dbraw/zinc/36/70/14/818367014.db2.gz XFUISMAOJXMBKL-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1ccnc(C[N@@H+]2CCC[C@@H]2c2ccccc2F)c1 ZINC001232481209 818367017 /nfs/dbraw/zinc/36/70/17/818367017.db2.gz XFUISMAOJXMBKL-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO CCCCCCC[N@@H+](C)Cc1c[nH]c2nccnc12 ZINC001232545755 818382910 /nfs/dbraw/zinc/38/29/10/818382910.db2.gz JLKSGUARNKLZEB-UHFFFAOYSA-N 1 1 260.385 3.312 20 30 CGEDMO COCC[N@@H+](Cc1ccc(Cl)cc1C#N)C(C)C ZINC001232606959 818394837 /nfs/dbraw/zinc/39/48/37/818394837.db2.gz DRLPRQFWVCCJJA-UHFFFAOYSA-N 1 1 266.772 3.068 20 30 CGEDMO N#Cc1ccc([O-])c(C[N@H+]2CCCC3(CC(F)C3)CC2)c1 ZINC001232678894 818416660 /nfs/dbraw/zinc/41/66/60/818416660.db2.gz UCKRGRKKYAFZIJ-UHFFFAOYSA-N 1 1 288.366 3.368 20 30 CGEDMO N#Cc1ccc([O-])c(C[N@H+]2CCC[C@H]3CCC[C@H]32)c1 ZINC001232678877 818417749 /nfs/dbraw/zinc/41/77/49/818417749.db2.gz SIQXOXKVQFTOHB-UKRRQHHQSA-N 1 1 256.349 3.028 20 30 CGEDMO N#Cc1ccc([O-])c(C[N@@H+](Cc2ccco2)C2CC2)c1 ZINC001232678290 818418040 /nfs/dbraw/zinc/41/80/40/818418040.db2.gz TWHMAXHGXZVHOL-UHFFFAOYSA-N 1 1 268.316 3.021 20 30 CGEDMO N#Cc1ccc([O-])c(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c1 ZINC001232678878 818418090 /nfs/dbraw/zinc/41/80/90/818418090.db2.gz SIQXOXKVQFTOHB-ZFWWWQNUSA-N 1 1 256.349 3.028 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c[nH]c2ccc(O)cc12 ZINC001232872370 818459349 /nfs/dbraw/zinc/45/93/49/818459349.db2.gz WUXNDKFDJRXFEF-DEZZGGKRSA-N 1 1 281.359 3.140 20 30 CGEDMO COc1cccc(CC[N@@H+](C)Cc2cc(F)ccc2C#N)c1 ZINC001232891629 818466643 /nfs/dbraw/zinc/46/66/43/818466643.db2.gz MXTNPTHSYRUFOT-UHFFFAOYSA-N 1 1 298.361 3.380 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC(F)F)nc1)C(C)(C)C ZINC001232956545 818484501 /nfs/dbraw/zinc/48/45/01/818484501.db2.gz CVAGURDFFNZZLD-UHFFFAOYSA-N 1 1 270.323 3.470 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@H](c3ccncc3)C2)c(C#N)c1 ZINC001232966787 818485988 /nfs/dbraw/zinc/48/59/88/818485988.db2.gz WATBRETVSIEFON-KRWDZBQOSA-N 1 1 277.371 3.251 20 30 CGEDMO CCOC(=O)c1ccsc1C[NH+]1CCC(CC#N)CC1 ZINC001233020553 818501979 /nfs/dbraw/zinc/50/19/79/818501979.db2.gz MJWIGFHQRDYGAQ-UHFFFAOYSA-N 1 1 292.404 3.050 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(F)c(F)c1[O-] ZINC001233078991 818518582 /nfs/dbraw/zinc/51/85/82/818518582.db2.gz RGAGJSFJBIGTSO-UHFFFAOYSA-N 1 1 288.297 3.174 20 30 CGEDMO CN(C)c1ccc(C[NH+]2CC3(C2)CCCC3)c(F)c1C#N ZINC001233097788 818521124 /nfs/dbraw/zinc/52/11/24/818521124.db2.gz BQVCZTGLSVSULI-UHFFFAOYSA-N 1 1 287.382 3.139 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1C)C1CCOCC1 ZINC001233083204 818521156 /nfs/dbraw/zinc/52/11/56/818521156.db2.gz AHKQATWCIBVMQE-UHFFFAOYSA-N 1 1 272.392 3.258 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccc(N(C)C)nc1F ZINC001233119180 818523372 /nfs/dbraw/zinc/52/33/72/818523372.db2.gz YZEYHJPKLTVDQL-UHFFFAOYSA-N 1 1 265.376 3.075 20 30 CGEDMO C[N@H+](Cc1ccc(F)cc1)Cc1ccc(C#N)cc1O ZINC001233383443 818605400 /nfs/dbraw/zinc/60/54/00/818605400.db2.gz ICHMBVSRCCXJCK-UHFFFAOYSA-N 1 1 270.307 3.035 20 30 CGEDMO C[N@@H+](Cc1ccc(F)cc1)Cc1ccc(C#N)cc1O ZINC001233383443 818605404 /nfs/dbraw/zinc/60/54/04/818605404.db2.gz ICHMBVSRCCXJCK-UHFFFAOYSA-N 1 1 270.307 3.035 20 30 CGEDMO CC(C)C1CC[NH+](Cc2ccc(C#N)cc2O)CC1 ZINC001233387125 818607030 /nfs/dbraw/zinc/60/70/30/818607030.db2.gz VVYOSGIZJASILX-UHFFFAOYSA-N 1 1 258.365 3.132 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CCC1CCC1 ZINC001233520351 818632442 /nfs/dbraw/zinc/63/24/42/818632442.db2.gz LJMJRIHFGRAKEG-RDJZCZTQSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)c1ccc(Cl)o1 ZINC001233952464 818738250 /nfs/dbraw/zinc/73/82/50/818738250.db2.gz BRSLUCUWVPGSCV-LBPRGKRZSA-N 1 1 298.814 3.339 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)coc1C ZINC001234030739 818761494 /nfs/dbraw/zinc/76/14/94/818761494.db2.gz WVMURAPBXVIHQP-OAHLLOKOSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)CCCC ZINC001234038385 818763643 /nfs/dbraw/zinc/76/36/43/818763643.db2.gz AVMNQQWWNQKZOV-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)/C=C(\C)CC ZINC001234140370 818788583 /nfs/dbraw/zinc/78/85/83/818788583.db2.gz KSZJMGAUYUXGPP-OPYKRYAKSA-N 1 1 278.440 3.230 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)CC(C)(C)CC ZINC001234537070 818877431 /nfs/dbraw/zinc/87/74/31/818877431.db2.gz JYGLLLRLDSJIRZ-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N(C)C[C@H]1CC[N@@H+]1CCCC ZINC001234555614 818881474 /nfs/dbraw/zinc/88/14/74/818881474.db2.gz XLQCNTIPSAUQGU-CYBMUJFWSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCCCC1 ZINC001234625572 818894966 /nfs/dbraw/zinc/89/49/66/818894966.db2.gz MLHOICNIHZZGSV-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001234626013 818896312 /nfs/dbraw/zinc/89/63/12/818896312.db2.gz PJWRNPGPQITZEN-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+](C)Cc1nc(Cl)ccc1C(F)(F)F ZINC001235236062 819043023 /nfs/dbraw/zinc/04/30/23/819043023.db2.gz DONFBKFDFNNZLY-UHFFFAOYSA-N 1 1 264.678 3.372 20 30 CGEDMO C=CC[N@H+](C)Cc1nc(Cl)ccc1C(F)(F)F ZINC001235236062 819043025 /nfs/dbraw/zinc/04/30/25/819043025.db2.gz DONFBKFDFNNZLY-UHFFFAOYSA-N 1 1 264.678 3.372 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCNC(=O)C[C@@H](C)CCC ZINC001235365032 819079663 /nfs/dbraw/zinc/07/96/63/819079663.db2.gz QKQGKOQEDSWJKC-LBPRGKRZSA-N 1 1 274.836 3.003 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCNC(=O)C[C@@H](C)CCC ZINC001235365032 819079667 /nfs/dbraw/zinc/07/96/67/819079667.db2.gz QKQGKOQEDSWJKC-LBPRGKRZSA-N 1 1 274.836 3.003 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(C)CCCCCC1 ZINC001235454848 819102656 /nfs/dbraw/zinc/10/26/56/819102656.db2.gz NFCMJSHKPRLYNO-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CCn2cnc(CO)c2C1 ZINC001235504652 819111019 /nfs/dbraw/zinc/11/10/19/819111019.db2.gz QPINAWJHUCTRCZ-UHFFFAOYSA-N 1 1 291.439 3.108 20 30 CGEDMO C=CCCCCCCCC[N@H+]1CCn2cnc(CO)c2C1 ZINC001235504652 819111021 /nfs/dbraw/zinc/11/10/21/819111021.db2.gz QPINAWJHUCTRCZ-UHFFFAOYSA-N 1 1 291.439 3.108 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1c[nH]c2cnc(Cl)cc12 ZINC001235508241 819112178 /nfs/dbraw/zinc/11/21/78/819112178.db2.gz GKNYRHMSTKRKGL-UHFFFAOYSA-N 1 1 276.771 3.342 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1c[nH]c2cnc(Cl)cc12 ZINC001235508241 819112182 /nfs/dbraw/zinc/11/21/82/819112182.db2.gz GKNYRHMSTKRKGL-UHFFFAOYSA-N 1 1 276.771 3.342 20 30 CGEDMO N#CCc1ccccc1C[N@@H+]1CCc2c(F)cccc2C1 ZINC001235525573 819114538 /nfs/dbraw/zinc/11/45/38/819114538.db2.gz ORYNLDZAOOOIAC-UHFFFAOYSA-N 1 1 280.346 3.450 20 30 CGEDMO N#Cc1cc(F)c(C[N@@H+]2CC[C@@H](c3ccncc3)C2)c(F)c1 ZINC001235657093 819130558 /nfs/dbraw/zinc/13/05/58/819130558.db2.gz KYINFEYNHBLPGS-CQSZACIVSA-N 1 1 299.324 3.221 20 30 CGEDMO N#Cc1cc(F)c(C[N@H+]2CC[C@@H](c3ccncc3)C2)c(F)c1 ZINC001235657093 819130560 /nfs/dbraw/zinc/13/05/60/819130560.db2.gz KYINFEYNHBLPGS-CQSZACIVSA-N 1 1 299.324 3.221 20 30 CGEDMO C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1c(F)cc(C#N)cc1F ZINC001235659249 819130786 /nfs/dbraw/zinc/13/07/86/819130786.db2.gz UDJDROWLRFAAGK-WDEREUQCSA-N 1 1 264.319 3.457 20 30 CGEDMO C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1c(F)cc(C#N)cc1F ZINC001235659249 819130791 /nfs/dbraw/zinc/13/07/91/819130791.db2.gz UDJDROWLRFAAGK-WDEREUQCSA-N 1 1 264.319 3.457 20 30 CGEDMO CCCCCCCC[N@H+](CCCOC)[C@H]1CCCNC1 ZINC001235797987 819171492 /nfs/dbraw/zinc/17/14/92/819171492.db2.gz WNMNITKEOGIZKK-KRWDZBQOSA-N 1 1 284.488 3.437 20 30 CGEDMO CCCCCCCC[N@@H+](CCCOC)[C@H]1CCCNC1 ZINC001235797987 819171494 /nfs/dbraw/zinc/17/14/94/819171494.db2.gz WNMNITKEOGIZKK-KRWDZBQOSA-N 1 1 284.488 3.437 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc3sc(C)nc3c2)C1 ZINC001235861738 819190499 /nfs/dbraw/zinc/19/04/99/819190499.db2.gz DSPTXOBDHCNAOB-CYBMUJFWSA-N 1 1 270.401 3.450 20 30 CGEDMO CCc1cc(C[N@H+]2CCc3cc(N)ccc3C2)ccc1C#N ZINC001236109679 819325755 /nfs/dbraw/zinc/32/57/55/819325755.db2.gz VQVHOOCISLWOSK-UHFFFAOYSA-N 1 1 291.398 3.261 20 30 CGEDMO C=CCCCN(Cc1ccc(F)c(F)c1)C1CC[NH2+]CC1 ZINC001236498885 819505127 /nfs/dbraw/zinc/50/51/27/819505127.db2.gz CCBPKYQNHXLTRZ-UHFFFAOYSA-N 1 1 294.389 3.485 20 30 CGEDMO C[N@H+]1CCc2cc(-c3ccc(C#N)cc3F)ccc2C1 ZINC001236532200 819525093 /nfs/dbraw/zinc/52/50/93/819525093.db2.gz JJTWWEHQKPKAFR-UHFFFAOYSA-N 1 1 266.319 3.352 20 30 CGEDMO C[N@@H+](Cc1sc(=O)[nH]c1Cl)Cc1ccc(C#N)cc1 ZINC001237150837 819679341 /nfs/dbraw/zinc/67/93/41/819679341.db2.gz SCYVWGRSGDLILX-UHFFFAOYSA-N 1 1 293.779 3.006 20 30 CGEDMO C[N@@H+](CCc1cccc(Cl)c1)Cc1ccnc(C#N)c1 ZINC001237470897 819759159 /nfs/dbraw/zinc/75/91/59/819759159.db2.gz XKUIZWUCHSSNQB-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO CC[N@@H+](Cc1cccc(F)c1)Cc1ccnc(C#N)c1 ZINC001237467276 819759574 /nfs/dbraw/zinc/75/95/74/819759574.db2.gz TURXBNUKDPGXJW-UHFFFAOYSA-N 1 1 269.323 3.114 20 30 CGEDMO N#C[C@@H]1CC[N@@H+](Cc2cccc3c(F)cccc23)C1 ZINC001237515244 819769139 /nfs/dbraw/zinc/76/91/39/819769139.db2.gz MOTYDUKSQVEDIT-LBPRGKRZSA-N 1 1 254.308 3.324 20 30 CGEDMO N#C[C@@H]1CC[N@H+](Cc2cccc3c(F)cccc23)C1 ZINC001237515244 819769141 /nfs/dbraw/zinc/76/91/41/819769141.db2.gz MOTYDUKSQVEDIT-LBPRGKRZSA-N 1 1 254.308 3.324 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CC[C@H](c3ccncc3)C2)c(F)cc1F ZINC001237526021 819771967 /nfs/dbraw/zinc/77/19/67/819771967.db2.gz LNEFUKAUQQFQHR-ZDUSSCGKSA-N 1 1 299.324 3.221 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@H](c3ccncc3)C2)c(F)cc1F ZINC001237526021 819771972 /nfs/dbraw/zinc/77/19/72/819771972.db2.gz LNEFUKAUQQFQHR-ZDUSSCGKSA-N 1 1 299.324 3.221 20 30 CGEDMO C[C@H]1CCCC[N@@H+]1Cc1cc(C#N)c(F)cc1F ZINC001237532550 819773533 /nfs/dbraw/zinc/77/35/33/819773533.db2.gz RAGAXKIIDBXKQT-JTQLQIEISA-N 1 1 250.292 3.211 20 30 CGEDMO C[C@H]1CCCC[N@H+]1Cc1cc(C#N)c(F)cc1F ZINC001237532550 819773542 /nfs/dbraw/zinc/77/35/42/819773542.db2.gz RAGAXKIIDBXKQT-JTQLQIEISA-N 1 1 250.292 3.211 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)c(F)cc1F)C1CCCC1 ZINC001237535146 819774182 /nfs/dbraw/zinc/77/41/82/819774182.db2.gz UGDSCXBKGRJQQJ-UHFFFAOYSA-N 1 1 250.292 3.211 20 30 CGEDMO CC[N@@H+](Cc1cn2cc(C#N)ccc2n1)Cc1cccs1 ZINC001237618947 819788692 /nfs/dbraw/zinc/78/86/92/819788692.db2.gz VAXRYZZKQHHDNP-UHFFFAOYSA-N 1 1 296.399 3.290 20 30 CGEDMO CC[N@H+](Cc1cn2cc(C#N)ccc2n1)Cc1cccs1 ZINC001237618947 819788693 /nfs/dbraw/zinc/78/86/93/819788693.db2.gz VAXRYZZKQHHDNP-UHFFFAOYSA-N 1 1 296.399 3.290 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2[nH]nc3cc(Cl)ccc32)C1 ZINC001238000828 819907400 /nfs/dbraw/zinc/90/74/00/819907400.db2.gz PUTZKEJRSKGALB-LLVKDONJSA-N 1 1 273.767 3.062 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](C#N)CC2)c(Cl)c1 ZINC001238086125 819928391 /nfs/dbraw/zinc/92/83/91/819928391.db2.gz VOAOKCVRQJYIFB-LBPRGKRZSA-N 1 1 273.767 3.337 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](C#N)CC2)c(Cl)c1 ZINC001238086125 819928397 /nfs/dbraw/zinc/92/83/97/819928397.db2.gz VOAOKCVRQJYIFB-LBPRGKRZSA-N 1 1 273.767 3.337 20 30 CGEDMO CCC[N@@H+](CCOC)Cc1ccc(Cl)c(C#N)c1 ZINC001238196151 819953911 /nfs/dbraw/zinc/95/39/11/819953911.db2.gz MRSYADAEAFRYHV-UHFFFAOYSA-N 1 1 266.772 3.070 20 30 CGEDMO COc1cc(C[N@H+]2CC[C@@H](F)C(F)(F)CC2)ccc1C#N ZINC001238409237 819987828 /nfs/dbraw/zinc/98/78/28/819987828.db2.gz AFUZYFMIGYPUMI-CQSZACIVSA-N 1 1 298.308 3.136 20 30 CGEDMO COc1cc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)ccc1C#N ZINC001238410408 819988280 /nfs/dbraw/zinc/98/82/80/819988280.db2.gz PRYGHHUVEFKTEC-HOCLYGCPSA-N 1 1 270.376 3.189 20 30 CGEDMO Cc1cc(OC(C)C)cc(C)c1C[N@@H+]1CC[C@@H](C#N)C1 ZINC001238664659 820073788 /nfs/dbraw/zinc/07/37/88/820073788.db2.gz OEUYGGDTGKFLOD-HNNXBMFYSA-N 1 1 272.392 3.436 20 30 CGEDMO Cc1cc(OC(C)C)cc(C)c1C[N@H+]1CC[C@@H](C#N)C1 ZINC001238664659 820073798 /nfs/dbraw/zinc/07/37/98/820073798.db2.gz OEUYGGDTGKFLOD-HNNXBMFYSA-N 1 1 272.392 3.436 20 30 CGEDMO CCc1cc(C[N@H+]2CC[C@@H](C)[C@@](C)(O)CC2)ccc1C#N ZINC001238766479 820111180 /nfs/dbraw/zinc/11/11/80/820111180.db2.gz MLTRPUYQHYLLPY-KDOFPFPSSA-N 1 1 286.419 3.104 20 30 CGEDMO CCc1cc(C[N@H+]2CCCC[C@@H]2COC)ccc1C#N ZINC001238766361 820111446 /nfs/dbraw/zinc/11/14/46/820111446.db2.gz KXDDQNVPVBNIBC-QGZVFWFLSA-N 1 1 272.392 3.122 20 30 CGEDMO CCc1cc(C[N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)ccc1C#N ZINC001238776785 820114283 /nfs/dbraw/zinc/11/42/83/820114283.db2.gz WCWGVRSPISLFRK-HRCADAONSA-N 1 1 258.340 3.053 20 30 CGEDMO CCc1cc(C[N@H+]2CCC[C@@H](OC)CC2)ccc1C#N ZINC001238777753 820116132 /nfs/dbraw/zinc/11/61/32/820116132.db2.gz HLJMGLUMDQSSHQ-QGZVFWFLSA-N 1 1 272.392 3.122 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1-c1ccc(OCC#N)cc1 ZINC001243591073 823458939 /nfs/dbraw/zinc/45/89/39/823458939.db2.gz UAPXEQHAQZCFIR-UHFFFAOYSA-N 1 1 267.332 3.025 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1-c1cc(F)ccc1CC#N ZINC001241243801 821664776 /nfs/dbraw/zinc/66/47/76/821664776.db2.gz MGQUDTUOGLDOGG-UHFFFAOYSA-N 1 1 269.323 3.328 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1-c1ccc(C#N)c2[nH]ccc21 ZINC001241248350 821670457 /nfs/dbraw/zinc/67/04/57/821670457.db2.gz GHKNNBTZFDTILT-UHFFFAOYSA-N 1 1 276.343 3.476 20 30 CGEDMO C[N@@H+]1CC=C(c2nc(-c3ccc(F)cc3)ccc2C#N)CC1 ZINC001241307555 821720015 /nfs/dbraw/zinc/72/00/15/821720015.db2.gz ISMMZFMDTWTOIA-UHFFFAOYSA-N 1 1 293.345 3.478 20 30 CGEDMO C[N@H+]1CCC=C(c2ccc(C#C[Si](C)(C)C)cn2)C1 ZINC001241566077 821952631 /nfs/dbraw/zinc/95/26/31/821952631.db2.gz RCIRKCOMEROALD-UHFFFAOYSA-N 1 1 270.452 3.029 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2ccn(C)n2)cc1 ZINC001242461040 822999442 /nfs/dbraw/zinc/99/94/42/822999442.db2.gz OKCKWEUIINUDIJ-QGZVFWFLSA-N 1 1 267.376 3.410 20 30 CGEDMO C#CC[N@H+](CC1CC1)[C@H](C)c1ncc(C(C)(C)C)o1 ZINC001345030403 936798156 /nfs/dbraw/zinc/79/81/56/936798156.db2.gz RGEOIPPZZXSFGL-GFCCVEGCSA-N 1 1 260.381 3.378 20 30 CGEDMO C#CC[N@@H+](CC1CC1)[C@H](C)c1ncc(C(C)(C)C)o1 ZINC001345030403 936798159 /nfs/dbraw/zinc/79/81/59/936798159.db2.gz RGEOIPPZZXSFGL-GFCCVEGCSA-N 1 1 260.381 3.378 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2cc3ccncc3s2)C1 ZINC001347390883 936882460 /nfs/dbraw/zinc/88/24/60/936882460.db2.gz HLTUAQSHZQVSSJ-ZDUSSCGKSA-N 1 1 274.389 3.073 20 30 CGEDMO C#CC[N@H+](Cc1cn(C)nc1-c1ccc(F)cc1)CC1CC1 ZINC001347782778 936895810 /nfs/dbraw/zinc/89/58/10/936895810.db2.gz VGNWOTCGGSDYAR-UHFFFAOYSA-N 1 1 297.377 3.071 20 30 CGEDMO Cc1[nH+]ccn1CCCCNc1cc(C#N)cc(Cl)n1 ZINC001348009288 936907052 /nfs/dbraw/zinc/90/70/52/936907052.db2.gz MLUBYOSBZQRUAJ-UHFFFAOYSA-N 1 1 289.770 3.004 20 30 CGEDMO C=CCC[C@@H]1CCCN1C(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[N@@H+]2C1 ZINC001348022212 936907533 /nfs/dbraw/zinc/90/75/33/936907533.db2.gz ATIRFOLXZNMRGK-QBPKDAKJSA-N 1 1 290.451 3.064 20 30 CGEDMO CC[C@H]([NH2+]Cc1cnc(C)o1)c1cccc(C#N)c1 ZINC001350637557 936997303 /nfs/dbraw/zinc/99/73/03/936997303.db2.gz YDGYSLMUDOZBFE-HNNXBMFYSA-N 1 1 255.321 3.096 20 30 CGEDMO CCC[N@@H+](CCc1cccs1)Cc1cncc(C#N)c1 ZINC001351303689 937014067 /nfs/dbraw/zinc/01/40/67/937014067.db2.gz MUYYHAKPWCXBSE-UHFFFAOYSA-N 1 1 285.416 3.469 20 30 CGEDMO C=CCCC[N@H+](CC)CCNC(=O)c1cccc(C)c1C ZINC001481015127 926861119 /nfs/dbraw/zinc/86/11/19/926861119.db2.gz OATLISCQFJPPMC-UHFFFAOYSA-N 1 1 288.435 3.321 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H](C)CCCCC ZINC001481061489 926877623 /nfs/dbraw/zinc/87/76/23/926877623.db2.gz YFPHCSPZUUWGBZ-IRXDYDNUSA-N 1 1 292.467 3.197 20 30 CGEDMO CC[C@]1(C(=O)OC(C)(C)C)CCC[N@H+](CC2(C#N)CC2)C1 ZINC001354967811 937118093 /nfs/dbraw/zinc/11/80/93/937118093.db2.gz MEYSXJKGSSEVBL-KRWDZBQOSA-N 1 1 292.423 3.124 20 30 CGEDMO CC[C@]1(C(=O)OC(C)(C)C)CCC[N@@H+](CC2(C#N)CC2)C1 ZINC001354967811 937118096 /nfs/dbraw/zinc/11/80/96/937118096.db2.gz MEYSXJKGSSEVBL-KRWDZBQOSA-N 1 1 292.423 3.124 20 30 CGEDMO C=C1CCC(C(=O)NCC[N@@H+](C[C@@H](F)CC)C2CC2)CC1 ZINC001481184484 926902377 /nfs/dbraw/zinc/90/23/77/926902377.db2.gz IPUVMBFZIHSRMN-HNNXBMFYSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C1CCC(C(=O)NCC[N@H+](C[C@@H](F)CC)C2CC2)CC1 ZINC001481184484 926902389 /nfs/dbraw/zinc/90/23/89/926902389.db2.gz IPUVMBFZIHSRMN-HNNXBMFYSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)CC[N@H+](CCNC(=O)[C@H]1C[C@]1(C)C(C)C)C1CC1 ZINC001481192419 926906075 /nfs/dbraw/zinc/90/60/75/926906075.db2.gz VCNFWRFQWMNPMF-SJLPKXTDSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+](CCNC(=O)C[C@H]1CCCCC1(C)C)C1CC1 ZINC001481199515 926907233 /nfs/dbraw/zinc/90/72/33/926907233.db2.gz UAGHMGKYAOQRKV-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CC[N@H+](CCCNC(=O)[C@H]1CCC[C@@H]1CCC)C(C)C ZINC001481350873 926964291 /nfs/dbraw/zinc/96/42/91/926964291.db2.gz TYBWJFGSNFBECY-IRXDYDNUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)[C@H]1CCC[C@H]1CC)C(C)C ZINC001481354393 926965012 /nfs/dbraw/zinc/96/50/12/926965012.db2.gz QNFJAFKNHLKYJB-CVEARBPZSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CC=CCC2)C1 ZINC001481390152 926976701 /nfs/dbraw/zinc/97/67/01/926976701.db2.gz LXPDSXITVCRCBW-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)c2ccsc2C)C1 ZINC001481486943 927001943 /nfs/dbraw/zinc/00/19/43/927001943.db2.gz UBLWXNUBHYHNSR-CQSZACIVSA-N 1 1 292.448 3.027 20 30 CGEDMO C#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](CC)CCCCC)C1 ZINC001481508703 927007838 /nfs/dbraw/zinc/00/78/38/927007838.db2.gz LIFDHXBPTNVZLO-IAGOWNOFSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)CC2CCCCC2)C1 ZINC001481693716 927060081 /nfs/dbraw/zinc/06/00/81/927060081.db2.gz MQOFKIBAFNTCIJ-IRXDYDNUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC001481700015 927064077 /nfs/dbraw/zinc/06/40/77/927064077.db2.gz ZUDVCLKZBPHTQO-SJLPKXTDSA-N 1 1 298.430 3.221 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H](CC)CC(C)C)C1 ZINC001481779570 927087391 /nfs/dbraw/zinc/08/73/91/927087391.db2.gz UJAJUCNWLKECSM-DLBZAZTESA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)CCC2(C)CC2)C1 ZINC001481778691 927087818 /nfs/dbraw/zinc/08/78/18/927087818.db2.gz XILSYMDSHAWVPP-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)C(F)=C1CCCC1 ZINC001496684817 927173082 /nfs/dbraw/zinc/17/30/82/927173082.db2.gz LXBWLBVGHVVHHY-UHFFFAOYSA-N 1 1 282.403 3.140 20 30 CGEDMO C=CC[N@@H+](C)CCC1CCN(C(=O)CC(C)(C)C)CC1 ZINC001482498116 927269702 /nfs/dbraw/zinc/26/97/02/927269702.db2.gz GDXSJEXORLGTKX-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC(CC[N@H+](C)CCC)CC2)C1 ZINC001482507083 927272569 /nfs/dbraw/zinc/27/25/69/927272569.db2.gz QKPIKVRXZUNVQK-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCCC(=O)N(C)CC[N@H+](C)[C@H](C)c1ccccc1 ZINC001496770279 927359900 /nfs/dbraw/zinc/35/99/00/927359900.db2.gz FFQDZDUEBVZGNV-MRXNPFEDSA-N 1 1 288.435 3.494 20 30 CGEDMO C/C=C(/C)C(=O)NC[C@@H]1CC[N@@H+]1CCCCCCC ZINC001483641702 927558903 /nfs/dbraw/zinc/55/89/03/927558903.db2.gz PJWQZQOBBZCWTL-AGKVCYSUSA-N 1 1 266.429 3.114 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@@H]1[C@H]1CC[N@H+](CCCC)C1 ZINC001483802418 927624903 /nfs/dbraw/zinc/62/49/03/927624903.db2.gz QLJXRPNECAPCAT-DLBZAZTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)/C(C)=C\C)C2)C1 ZINC001483828926 927630406 /nfs/dbraw/zinc/63/04/06/927630406.db2.gz DATGHPFLYWRPRC-UUGSPAKMSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCCCC(=O)N1CC[C@]2(CC[N@H+](CCCC)C2)C1 ZINC001483845904 927634407 /nfs/dbraw/zinc/63/44/07/927634407.db2.gz RZMYJGCWVJLFMN-KRWDZBQOSA-N 1 1 278.440 3.067 20 30 CGEDMO C#CCCCC(=O)N(C)C1C[NH+]([C@@H](C)c2ccccc2C)C1 ZINC001483860127 927635919 /nfs/dbraw/zinc/63/59/19/927635919.db2.gz JAZVYNHSBKECTJ-INIZCTEOSA-N 1 1 298.430 3.002 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)c2occc2C)C1 ZINC001484029415 927663954 /nfs/dbraw/zinc/66/39/54/927663954.db2.gz JTOJEGLTQZDCCD-RHSMWYFYSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)CC2CC(C)(C)C2)C1 ZINC001484058130 927666948 /nfs/dbraw/zinc/66/69/48/927666948.db2.gz UHAOLNODXRCWPO-SFHVURJKSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CCC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001358112423 937188280 /nfs/dbraw/zinc/18/82/80/937188280.db2.gz UADFUPRSAGBEDF-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)CC(C)(C)C)CC1 ZINC001484707338 927739448 /nfs/dbraw/zinc/73/94/48/927739448.db2.gz XAMMTITVZMCMLA-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)c1cccc2cc[nH]c21 ZINC001484758205 927755106 /nfs/dbraw/zinc/75/51/06/927755106.db2.gz ITPWJQMFHWTVHS-UHFFFAOYSA-N 1 1 299.418 3.138 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@]2(CC[N@H+](CCCC)C2)C1 ZINC001484832786 927761186 /nfs/dbraw/zinc/76/11/86/927761186.db2.gz VSMXWAOQUOIFOT-GOSISDBHSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)[C@H](C)C(C)C)cc2C1 ZINC001484875522 927763682 /nfs/dbraw/zinc/76/36/82/927763682.db2.gz IIUAVVHWZMTWSD-CQSZACIVSA-N 1 1 286.419 3.097 20 30 CGEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@H](C)C(C)C)cc2C1 ZINC001484875522 927763695 /nfs/dbraw/zinc/76/36/95/927763695.db2.gz IIUAVVHWZMTWSD-CQSZACIVSA-N 1 1 286.419 3.097 20 30 CGEDMO C=C1CC(C)(C(=O)NCc2ccc3c(c2)C[N@@H+](C(C)C)C3)C1 ZINC001484875945 927764081 /nfs/dbraw/zinc/76/40/81/927764081.db2.gz VTZZNWIGLFZCGG-UHFFFAOYSA-N 1 1 298.430 3.383 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)/C(C)=C\C)C(C)(C)C1 ZINC001484931118 927774321 /nfs/dbraw/zinc/77/43/21/927774321.db2.gz DZPAUNAVNUFIAC-GSHXUFRSSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)/C=C(\C)CC)C[C@@H]1C ZINC001484972147 927776813 /nfs/dbraw/zinc/77/68/13/927776813.db2.gz KOSVCDNVQGGNMA-SROTWBRCSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[N@@H+](CC2=CCCCC2)[C@H](C)C1 ZINC001484968558 927777495 /nfs/dbraw/zinc/77/74/95/927777495.db2.gz REXJUYWHPQXJEI-NVXWUHKLSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[N@H+](CC)CC1CCN(C(=O)C=C2CCC2)CC1 ZINC001485029754 927788609 /nfs/dbraw/zinc/78/86/09/927788609.db2.gz CYITZBVQQWUZAG-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1C[N@@H+](C)C/C=C\Cl ZINC001485069065 927799853 /nfs/dbraw/zinc/79/98/53/927799853.db2.gz LDZJMLAXFWSGDS-LUXYIKNCSA-N 1 1 298.858 3.264 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)c1sccc1C1CC1 ZINC001485380568 927858645 /nfs/dbraw/zinc/85/86/45/927858645.db2.gz HWDFOCCUZARSKK-LBPRGKRZSA-N 1 1 292.448 3.252 20 30 CGEDMO C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)C=C1CCCCC1 ZINC001485473763 927876917 /nfs/dbraw/zinc/87/69/17/927876917.db2.gz HLCXGAAEXXIYEE-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CC[N@H+]1CCCCC[C@H]1CNC(=O)C=C1CCCCC1 ZINC001485473762 927877638 /nfs/dbraw/zinc/87/76/38/927877638.db2.gz HLCXGAAEXXIYEE-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)CCC(C)(C)C)C(C)(C)C1 ZINC001485583280 927893393 /nfs/dbraw/zinc/89/33/93/927893393.db2.gz ZNSIRHFSJCFYTP-LSDHHAIUSA-N 1 1 294.483 3.461 20 30 CGEDMO C#CC[N@H+](CCOCC=C)[C@@H]1CCCc2ccccc21 ZINC001473826891 937202006 /nfs/dbraw/zinc/20/20/06/937202006.db2.gz WZWYAWRVRODPHP-GOSISDBHSA-N 1 1 269.388 3.202 20 30 CGEDMO CC[N@H+]1CCN(Cc2ccc(C#N)cc2Cl)C(C)(C)C1 ZINC001238088465 927933246 /nfs/dbraw/zinc/93/32/46/927933246.db2.gz FKNCBFGNIRQJTG-UHFFFAOYSA-N 1 1 291.826 3.128 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)CSCCC)[C@H]1C ZINC001486170131 927992603 /nfs/dbraw/zinc/99/26/03/927992603.db2.gz GYCYSJLFTXXUBO-HUUCEWRRSA-N 1 1 298.496 3.065 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)/C=C(/C)C2CC2)[C@@H]1C ZINC001486172343 927994217 /nfs/dbraw/zinc/99/42/17/927994217.db2.gz UKAGTYLPSXVVJS-NPCRWQHWSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)c1occc1Cl ZINC001493015473 928088017 /nfs/dbraw/zinc/08/80/17/928088017.db2.gz XOYCBOGCWZHFEY-LBPRGKRZSA-N 1 1 298.814 3.339 20 30 CGEDMO C=CC1(CC(=O)N[C@]2(C)CC[N@H+](CCF)C2)CCCCC1 ZINC001324656461 928135835 /nfs/dbraw/zinc/13/58/35/928135835.db2.gz MGKAVWUQHMACBJ-MRXNPFEDSA-N 1 1 296.430 3.063 20 30 CGEDMO C=CC1(CC(=O)N[C@]2(C)CC[N@@H+](CCF)C2)CCCCC1 ZINC001324656461 928135842 /nfs/dbraw/zinc/13/58/42/928135842.db2.gz MGKAVWUQHMACBJ-MRXNPFEDSA-N 1 1 296.430 3.063 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC[C@](CF)(C(F)(F)F)C2)cc1 ZINC001144568265 928198327 /nfs/dbraw/zinc/19/83/27/928198327.db2.gz OWOZQTGPZOPKJA-CQSZACIVSA-N 1 1 285.284 3.392 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@](C)(C=C)CC ZINC001488653393 928286474 /nfs/dbraw/zinc/28/64/74/928286474.db2.gz IVIZJINKZVALRF-NVXWUHKLSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(C)CCCCC1 ZINC001488652042 928287208 /nfs/dbraw/zinc/28/72/08/928287208.db2.gz CUDUBLKHYSLNEL-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)/C(C)=C/CC)[C@H]1CC ZINC001489106262 928314794 /nfs/dbraw/zinc/31/47/94/928314794.db2.gz ZDRBQIWYXFVVCD-LSHVTDEISA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCC1(C(=O)N2CCC[C@@H]([N@H+](C)CCC)C2)CCC1 ZINC001480734935 937236173 /nfs/dbraw/zinc/23/61/73/937236173.db2.gz PHOKUOBWLULVDJ-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC1(C(=O)N2CCC[C@H]([N@H+](C)CCC)C2)CCC1 ZINC001480734934 937236522 /nfs/dbraw/zinc/23/65/22/937236522.db2.gz PHOKUOBWLULVDJ-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO CC#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCCC(C)C ZINC001489338133 928329130 /nfs/dbraw/zinc/32/91/30/928329130.db2.gz IDGBLDYYZYDYII-KRWDZBQOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC[N@@H+](C)CCCNC(=O)c1cc2c(ccc(C)c2C)[nH]1 ZINC001490232521 928336642 /nfs/dbraw/zinc/33/66/42/928336642.db2.gz DICFHWFLRYORCQ-UHFFFAOYSA-N 1 1 299.418 3.022 20 30 CGEDMO C=C(C)C[N@@H+](C)CCCNC(=O)C(C1CCC1)C1CCC1 ZINC001490242468 928337363 /nfs/dbraw/zinc/33/73/63/928337363.db2.gz NEZLKCLFKOHKOS-UHFFFAOYSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@@H+](CC)CCCNC(=O)c1cc(Cl)cs1 ZINC001490349579 928342758 /nfs/dbraw/zinc/34/27/58/928342758.db2.gz YTXDQRORTIJJAY-UHFFFAOYSA-N 1 1 286.828 3.029 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)C[C@@H]1CCCC[C@H]1C)C1CC1 ZINC001490392930 928350654 /nfs/dbraw/zinc/35/06/54/928350654.db2.gz JYAIKQKWDOJNLB-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+](CCCNC(=O)[C@]12C[C@H]1CCCC2)C1CC1 ZINC001490386159 928353341 /nfs/dbraw/zinc/35/33/41/928353341.db2.gz XUXRDSXGVHFMCS-CRAIPNDOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)C2=CCCCCC2)C1 ZINC001490537493 928366102 /nfs/dbraw/zinc/36/61/02/928366102.db2.gz ZCTJSPCEDXOOEC-RDJZCZTQSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001490547825 928369407 /nfs/dbraw/zinc/36/94/07/928369407.db2.gz HEJQKSYRFSBXHT-WBVHZDCISA-N 1 1 286.419 3.294 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H](C[N@@H+](C)C/C=C\Cl)C1 ZINC001490758560 928387691 /nfs/dbraw/zinc/38/76/91/928387691.db2.gz JJBXQWQWBCALKA-HMZQOCAUSA-N 1 1 298.858 3.266 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)[C@]1(C)CCC[C@H]1CC ZINC001320021578 928487605 /nfs/dbraw/zinc/48/76/05/928487605.db2.gz QVMDOHVKVIHOIN-NVXWUHKLSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCCC[C@H]1CC1CCC1 ZINC001307949928 928809474 /nfs/dbraw/zinc/80/94/74/928809474.db2.gz OILSKQDGNVSNBK-HOTGVXAUSA-N 1 1 251.414 3.358 20 30 CGEDMO C=CCC(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC ZINC001490976418 928822179 /nfs/dbraw/zinc/82/21/79/928822179.db2.gz YTUWWRHGCZFANM-GOOCMWNKSA-N 1 1 278.440 3.110 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)CC2CCCC2)C1 ZINC001491087645 928831819 /nfs/dbraw/zinc/83/18/19/928831819.db2.gz FBNMOPBCQWJROR-KRWDZBQOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](CNC(=O)C2(CC=C)CCCC2)C1 ZINC001491133129 928835448 /nfs/dbraw/zinc/83/54/48/928835448.db2.gz JEPVGJMFXWOMMM-INIZCTEOSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@]1(C)CC=CCC1 ZINC001491216053 928843296 /nfs/dbraw/zinc/84/32/96/928843296.db2.gz XJTIVXKIYKUMHU-WMZOPIPTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C/C=C(/C)C=C ZINC001491219389 928843633 /nfs/dbraw/zinc/84/36/33/928843633.db2.gz QXAGCFGNKGNXKH-NIFLVVHWSA-N 1 1 290.451 3.446 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC(CC)CC)C1 ZINC001491294702 928855357 /nfs/dbraw/zinc/85/53/57/928855357.db2.gz GSQMIYSVWDBJNR-NVXWUHKLSA-N 1 1 292.467 3.053 20 30 CGEDMO CCCCCCCCC(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC001454008376 937406464 /nfs/dbraw/zinc/40/64/64/937406464.db2.gz HOYUICQPBLZKKO-OAHLLOKOSA-N 1 1 268.445 3.338 20 30 CGEDMO C=CC1(CC(=O)NCCn2cc[nH+]c2CC)CCCCC1 ZINC001455616736 937419241 /nfs/dbraw/zinc/41/92/41/937419241.db2.gz IPZYYOUBJOSDHC-UHFFFAOYSA-N 1 1 289.423 3.088 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2C[C@H](C)C[C@H]2CC)cc1 ZINC001459634223 937495083 /nfs/dbraw/zinc/49/50/83/937495083.db2.gz DWRCGLJQWJQKGX-RHSMWYFYSA-N 1 1 284.403 3.117 20 30 CGEDMO CC[C@]1(C)COCC[N@H+]1Cc1c(C)cc(C#N)cc1C ZINC001459878639 937504435 /nfs/dbraw/zinc/50/44/35/937504435.db2.gz BAYCMSWQQJUBJL-QGZVFWFLSA-N 1 1 272.392 3.176 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCCO[C@@H](C(C)C)C1 ZINC001460151313 937517904 /nfs/dbraw/zinc/51/79/04/937517904.db2.gz PNGGLCMRVGYIFB-GOSISDBHSA-N 1 1 286.419 3.422 20 30 CGEDMO C=CC[C@@H](C(=O)OC)[N@H+]1CCCC(CC)(CC)C1 ZINC001460414499 937530342 /nfs/dbraw/zinc/53/03/42/937530342.db2.gz HZEUBURKIGCAQJ-ZDUSSCGKSA-N 1 1 253.386 3.006 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCCC[C@H]1c1ncccn1 ZINC001460714780 937541803 /nfs/dbraw/zinc/54/18/03/937541803.db2.gz CGJCXQLHRWUGRA-AWEZNQCLSA-N 1 1 272.396 3.334 20 30 CGEDMO C=CCC[C@H]1CCC[N@H+]1Cc1ccc(-n2ccnc2)nc1 ZINC001460887476 937551039 /nfs/dbraw/zinc/55/10/39/937551039.db2.gz VHEKNWOCAVIIQH-INIZCTEOSA-N 1 1 282.391 3.198 20 30 CGEDMO CC[N@H+](CCC#N)Cc1c[nH]c2ncc(C(F)(F)F)cc12 ZINC001139538563 931953817 /nfs/dbraw/zinc/95/38/17/931953817.db2.gz RBOFCDGJBBOEQE-UHFFFAOYSA-N 1 1 296.296 3.317 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1c[nH]c2ncc(C(F)(F)F)cc12 ZINC001139538563 931953823 /nfs/dbraw/zinc/95/38/23/931953823.db2.gz RBOFCDGJBBOEQE-UHFFFAOYSA-N 1 1 296.296 3.317 20 30 CGEDMO C#C[C@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1OC ZINC001460913744 937552205 /nfs/dbraw/zinc/55/22/05/937552205.db2.gz BMYBUBCASVHDHE-AWEZNQCLSA-N 1 1 263.768 3.336 20 30 CGEDMO C#C[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1OC ZINC001460913744 937552206 /nfs/dbraw/zinc/55/22/06/937552206.db2.gz BMYBUBCASVHDHE-AWEZNQCLSA-N 1 1 263.768 3.336 20 30 CGEDMO C=C(CC)C[N@H+]1C[C@@H](N2CCCC2)C[C@H]1C(C)C ZINC001460938275 937554131 /nfs/dbraw/zinc/55/41/31/937554131.db2.gz RTUSPPKSWNXEFT-HOTGVXAUSA-N 1 1 250.430 3.147 20 30 CGEDMO C=C(CC)CN1C[C@@H]([NH+]2CCCC2)C[C@H]1C(C)C ZINC001460938275 937554133 /nfs/dbraw/zinc/55/41/33/937554133.db2.gz RTUSPPKSWNXEFT-HOTGVXAUSA-N 1 1 250.430 3.147 20 30 CGEDMO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@@H](C2CCCC2)C1 ZINC001460954207 937555572 /nfs/dbraw/zinc/55/55/72/937555572.db2.gz YHGLGNPTKTVNMF-GOEBONIOSA-N 1 1 259.397 3.332 20 30 CGEDMO CC(C)[NH+]1CC(Oc2ccc3ccc(C#N)cc3c2)C1 ZINC001228969607 932061294 /nfs/dbraw/zinc/06/12/94/932061294.db2.gz PEOXTXVLAXYURP-UHFFFAOYSA-N 1 1 266.344 3.183 20 30 CGEDMO N#Cc1cc(C[NH2+]Cc2ccc(F)cc2F)cs1 ZINC001461122122 937564939 /nfs/dbraw/zinc/56/49/39/937564939.db2.gz RPUOPHDXOASYQV-UHFFFAOYSA-N 1 1 264.300 3.188 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H](Oc2cc(C#N)ccc2Cl)C1 ZINC001229251566 932123571 /nfs/dbraw/zinc/12/35/71/932123571.db2.gz ZHXDSJKVEMYMKB-CYBMUJFWSA-N 1 1 278.783 3.463 20 30 CGEDMO CCCn1cncc1C[NH2+][C@H](CCC#N)c1ccccc1 ZINC001461366344 937578205 /nfs/dbraw/zinc/57/82/05/937578205.db2.gz XDHPXDGEKZLORP-QGZVFWFLSA-N 1 1 282.391 3.428 20 30 CGEDMO C[C@H](C#N)C[N@H+](Cc1ccc2scnc2c1)C1CC1 ZINC001461929803 937607720 /nfs/dbraw/zinc/60/77/20/937607720.db2.gz YGWLEPQFCLROGR-LLVKDONJSA-N 1 1 271.389 3.420 20 30 CGEDMO C[C@H](C#N)C[N@@H+](Cc1ccc2scnc2c1)C1CC1 ZINC001461929803 937607722 /nfs/dbraw/zinc/60/77/22/937607722.db2.gz YGWLEPQFCLROGR-LLVKDONJSA-N 1 1 271.389 3.420 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCCC)CC1 ZINC001230512605 932580317 /nfs/dbraw/zinc/58/03/17/932580317.db2.gz BFZXMCWLNLGJKT-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCCC(=O)N1CCC([C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001230592065 932595453 /nfs/dbraw/zinc/59/54/53/932595453.db2.gz QUUDUQHIRHHDFP-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCCC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC)CC1 ZINC001230591571 932595648 /nfs/dbraw/zinc/59/56/48/932595648.db2.gz CJCIODMGISVIOV-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C1CCCCC1 ZINC001230646927 932603105 /nfs/dbraw/zinc/60/31/05/932603105.db2.gz YVZFKYCCVTXAQJ-RDJZCZTQSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC001230867083 932632210 /nfs/dbraw/zinc/63/22/10/932632210.db2.gz GVEXSLBLUKCPEI-AWEZNQCLSA-N 1 1 295.471 3.151 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)c(Cl)c1 ZINC001238088582 932693893 /nfs/dbraw/zinc/69/38/93/932693893.db2.gz INKFEMALNMZZLX-JSGCOSHPSA-N 1 1 288.778 3.013 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([NH2+]CC(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC001254643175 932725400 /nfs/dbraw/zinc/72/54/00/932725400.db2.gz JOCZJQJESXTFKI-ZWNOBZJWSA-N 1 1 296.292 3.170 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(CC(F)(F)F)cc1 ZINC001462157311 937621230 /nfs/dbraw/zinc/62/12/30/937621230.db2.gz LANKXDIWRBFWGE-NSHDSACASA-N 1 1 255.283 3.245 20 30 CGEDMO CC(C)[C@@]1(CO)CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC001334919799 932772579 /nfs/dbraw/zinc/77/25/79/932772579.db2.gz AAOPNBCGYNVFED-KRWDZBQOSA-N 1 1 278.440 3.191 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)/C(C)=C\CC)[C@H]1CC ZINC001316730913 932784372 /nfs/dbraw/zinc/78/43/72/932784372.db2.gz APEGONZCIPFRRZ-HGXPIFGLSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)c2ccccc2C)C1 ZINC001491907668 932795727 /nfs/dbraw/zinc/79/57/27/932795727.db2.gz TUOLRGPSUSPPKL-INIZCTEOSA-N 1 1 286.419 3.108 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCCN(C(=O)C2(C)CC2)C1 ZINC001491930524 932798320 /nfs/dbraw/zinc/79/83/20/932798320.db2.gz YNCPGBUOMBVFLI-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)C(C)=C2CCC2)C1 ZINC001491926347 932798754 /nfs/dbraw/zinc/79/87/54/932798754.db2.gz YGNVJMVEEMEKID-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](CCC)CC(C)C)C1 ZINC001491965329 932799945 /nfs/dbraw/zinc/79/99/45/932799945.db2.gz JWWOSIDQBSFQGD-IAGOWNOFSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCCC[C@H]1CCC[N@H+]1CC1CC1 ZINC001492163088 932806999 /nfs/dbraw/zinc/80/69/99/932806999.db2.gz CYSVDEYGQRMARV-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)c1ccc(C)o1 ZINC001492137785 932808608 /nfs/dbraw/zinc/80/86/08/932808608.db2.gz LONHSFQWWHKRFD-OAHLLOKOSA-N 1 1 290.407 3.139 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC[N@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001492370161 932814806 /nfs/dbraw/zinc/81/48/06/932814806.db2.gz PJQMMBMPIQMZAM-OAGGEKHMSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)C2CC=CC2)C1 ZINC001317370124 932855492 /nfs/dbraw/zinc/85/54/92/932855492.db2.gz JNLSOPYKVPSEQF-RDJZCZTQSA-N 1 1 290.451 3.230 20 30 CGEDMO CC[C@@](C)(C(=O)OC)[N@H+](CC#Cc1ccccc1)CC1CC1 ZINC001462363000 937635593 /nfs/dbraw/zinc/63/55/93/937635593.db2.gz UBFONGPCOZKAGJ-IBGZPJMESA-N 1 1 299.414 3.092 20 30 CGEDMO CC[C@@](C)(C(=O)OC)[N@@H+](CC#Cc1ccccc1)CC1CC1 ZINC001462363000 937635595 /nfs/dbraw/zinc/63/55/95/937635595.db2.gz UBFONGPCOZKAGJ-IBGZPJMESA-N 1 1 299.414 3.092 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccsc2)C1 ZINC001317373436 932860520 /nfs/dbraw/zinc/86/05/20/932860520.db2.gz CYTDEHRMDXALNX-OAHLLOKOSA-N 1 1 292.448 3.251 20 30 CGEDMO CC[C@@H](C)[N@@H+](C)CCNc1cc(C)cc(F)c1C#N ZINC001306957138 932901322 /nfs/dbraw/zinc/90/13/22/932901322.db2.gz PFJYNOQVCRRHML-GFCCVEGCSA-N 1 1 263.360 3.148 20 30 CGEDMO CC[C@H](C)[C@@H](C)[N@@H+](Cc1cc(C#N)ccn1)C1CC1 ZINC001307463327 932955966 /nfs/dbraw/zinc/95/59/66/932955966.db2.gz RFNVJNJYYGIXHJ-QWHCGFSZSA-N 1 1 257.381 3.352 20 30 CGEDMO CC[C@H](C)[C@H](C)[N@@H+](Cc1cc(C#N)ccn1)C1CC1 ZINC001307463328 932956652 /nfs/dbraw/zinc/95/66/52/932956652.db2.gz RFNVJNJYYGIXHJ-STQMWFEESA-N 1 1 257.381 3.352 20 30 CGEDMO CCCCCCCCC[N@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC001307591036 932972469 /nfs/dbraw/zinc/97/24/69/932972469.db2.gz DEQFNQAMTJBAAX-HNNXBMFYSA-N 1 1 282.428 3.264 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C[C@@H]1CCCC12CCOCC2)C1CC1 ZINC001307643199 932979261 /nfs/dbraw/zinc/97/92/61/932979261.db2.gz KFQVLDLHFDFLKC-GJZGRUSLSA-N 1 1 276.424 3.207 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C ZINC001308020612 933035421 /nfs/dbraw/zinc/03/54/21/933035421.db2.gz UKUAWRHSZLHCIO-HUUCEWRRSA-N 1 1 294.439 3.426 20 30 CGEDMO N#CC1(CCCC[N@H+]2CC[C@@H](c3ncccn3)C2)CCC1 ZINC001308113223 933051423 /nfs/dbraw/zinc/05/14/23/933051423.db2.gz MHHDIIVCLATGHH-OAHLLOKOSA-N 1 1 284.407 3.130 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1 ZINC001308118812 933051628 /nfs/dbraw/zinc/05/16/28/933051628.db2.gz KMULHJOETFWPAY-LKCYJCQHSA-N 1 1 294.398 3.211 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001308124756 933053938 /nfs/dbraw/zinc/05/39/38/933053938.db2.gz PVDVXFNIBFICSN-ILXRZTDVSA-N 1 1 296.455 3.434 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1C[C@@H](O)c1cccc(C)c1 ZINC001308135352 933055696 /nfs/dbraw/zinc/05/56/96/933055696.db2.gz GZKIWXXGDUULEB-DLBZAZTESA-N 1 1 259.393 3.459 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc2c(c1)OC(F)(F)O2 ZINC001308652555 933150719 /nfs/dbraw/zinc/15/07/19/933150719.db2.gz APFOOXNDTIDRTO-UHFFFAOYSA-N 1 1 269.291 3.406 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc2ccc(F)cc2[nH]c1=O ZINC001308690746 933158350 /nfs/dbraw/zinc/15/83/50/933158350.db2.gz CFKCSODHCYEWOD-UHFFFAOYSA-N 1 1 260.312 3.087 20 30 CGEDMO C=CC[C@@H]([NH2+]CCCC1CCCCC1)C(=O)OCC ZINC001308741754 933169049 /nfs/dbraw/zinc/16/90/49/933169049.db2.gz YUYYXXFWBORTGE-OAHLLOKOSA-N 1 1 267.413 3.444 20 30 CGEDMO C#CCCCCCC[N@H+]1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC001308784427 933175919 /nfs/dbraw/zinc/17/59/19/933175919.db2.gz IKHFWUUUKRGENI-IAGOWNOFSA-N 1 1 261.409 3.214 20 30 CGEDMO C=C(C)C[C@H]([NH2+]C1CCC(C)(C)CC1)C(=O)OCC ZINC001308917935 933203017 /nfs/dbraw/zinc/20/30/17/933203017.db2.gz LIEOEAPEOLPTCO-AWEZNQCLSA-N 1 1 267.413 3.443 20 30 CGEDMO C=C(C)C[N@H+](C)CCCNC(=O)C[C@@H](C)c1ccccc1 ZINC001316865292 933302283 /nfs/dbraw/zinc/30/22/83/933302283.db2.gz VZYNFRAZZDBMEM-MRXNPFEDSA-N 1 1 288.435 3.194 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)C2CCCCC2)C1 ZINC001317532699 933362434 /nfs/dbraw/zinc/36/24/34/933362434.db2.gz JOCWQTHOBCUTCY-OAHLLOKOSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](CNC(=O)C(C)(CC)CC)C1 ZINC001317534711 933383658 /nfs/dbraw/zinc/38/36/58/933383658.db2.gz FFLKFDZWWXVTID-HNNXBMFYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]([C@@H]2CC[N@H+](CCC)C2)C1 ZINC001328808171 933464950 /nfs/dbraw/zinc/46/49/50/933464950.db2.gz OJOXGGURCGHBPZ-IAGOWNOFSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C=C(C)C ZINC001316719250 933475769 /nfs/dbraw/zinc/47/57/69/933475769.db2.gz LYYFQJHXGGYRFS-HYVNUMGLSA-N 1 1 290.451 3.134 20 30 CGEDMO C#CCCCCCC(=O)N[C@H]1CC[N@@H+](CCC(=C)C)[C@@H]1C ZINC001316787230 933479829 /nfs/dbraw/zinc/47/98/29/933479829.db2.gz FOYDVPCODUVERH-SJORKVTESA-N 1 1 290.451 3.115 20 30 CGEDMO CC[N@@H+](CCCNC(=O)C#CC(C)(C)C)CCC(C)(C)C ZINC001316890328 933491605 /nfs/dbraw/zinc/49/16/05/933491605.db2.gz MXOCETSVLVNQIJ-UHFFFAOYSA-N 1 1 294.483 3.300 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)c2ccsc2)C1 ZINC001316985043 933504628 /nfs/dbraw/zinc/50/46/28/933504628.db2.gz CKEVXWOSIMDNHJ-HIFRSBDPSA-N 1 1 292.448 3.008 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](NC(=O)CC(C)(F)F)C1 ZINC001316985704 933505905 /nfs/dbraw/zinc/50/59/05/933505905.db2.gz HPIXPOXHBFZMPX-CYBMUJFWSA-N 1 1 290.398 3.193 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H](C[N@H+](C)C[C@@H](F)CC)C1 ZINC001317037472 933519066 /nfs/dbraw/zinc/51/90/66/933519066.db2.gz SYCGRJAIXHJZOA-HOTGVXAUSA-N 1 1 298.446 3.261 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(CC)CC)C1 ZINC001317137890 933539157 /nfs/dbraw/zinc/53/91/57/933539157.db2.gz PSZGKKISCPXKPJ-HNNXBMFYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](CNC(=O)C2(C)CCCC2)C1 ZINC001317137471 933539280 /nfs/dbraw/zinc/53/92/80/933539280.db2.gz KDEQLRSQSSGFNI-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccsc1 ZINC001317165396 933543746 /nfs/dbraw/zinc/54/37/46/933543746.db2.gz IUYRUXOHFVXUAT-OAHLLOKOSA-N 1 1 292.448 3.185 20 30 CGEDMO CC#CCCCC(=O)NC[C@@H]1CCCC[N@H+]1CCC(C)C ZINC001317174692 933546471 /nfs/dbraw/zinc/54/64/71/933546471.db2.gz WVMPSLWCEFSKFB-KRWDZBQOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[N@@H+](C)CCCC(C)(C)C ZINC001317459367 933597820 /nfs/dbraw/zinc/59/78/20/933597820.db2.gz PBNQMGBUSKTFND-UHFFFAOYSA-N 1 1 268.445 3.073 20 30 CGEDMO C=C/C(C)=C/CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](CC(=C)C)C1 ZINC001317208797 933553082 /nfs/dbraw/zinc/55/30/82/933553082.db2.gz LIXRCJSCJMYXCD-PETGEZQVSA-N 1 1 290.451 3.302 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2(CCC)CCC2)C1 ZINC001317208452 933554065 /nfs/dbraw/zinc/55/40/65/933554065.db2.gz JRXXLCPYIBYQIQ-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]([N@@H+](C)CC=C(C)C)C1 ZINC001317374723 933578543 /nfs/dbraw/zinc/57/85/43/933578543.db2.gz GDMZQLIHRJLDNR-INIZCTEOSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)C2(C)CC2)C1 ZINC001317374209 933579333 /nfs/dbraw/zinc/57/93/33/933579333.db2.gz BSMWZFBSTSITHE-CABCVRRESA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccsc2)C1 ZINC001317373435 933579896 /nfs/dbraw/zinc/57/98/96/933579896.db2.gz CYTDEHRMDXALNX-HNNXBMFYSA-N 1 1 292.448 3.251 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)CCCF)C1 ZINC001317378354 933581771 /nfs/dbraw/zinc/58/17/71/933581771.db2.gz HZDPZSMBFWUDTJ-HUUCEWRRSA-N 1 1 284.419 3.014 20 30 CGEDMO CC#CC[N@H+](C)[C@H]1CCCN(C(=O)C(CC)(CC)CC)C1 ZINC001317380625 933582209 /nfs/dbraw/zinc/58/22/09/933582209.db2.gz FPKPFSGNOFBBAO-INIZCTEOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)[C@]1(C)CCC[C@H]1CC ZINC001317452120 933593888 /nfs/dbraw/zinc/59/38/88/933593888.db2.gz VUALNGWEYBVCKV-NVXWUHKLSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CC)CCNC(=O)C1CCC(F)CC1 ZINC001317486081 933601604 /nfs/dbraw/zinc/60/16/04/933601604.db2.gz JJFDVVWDZKHLCS-QQFBHYJXSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](CNC(=O)C2CC(C)(C)C2)C1 ZINC001317519845 933609390 /nfs/dbraw/zinc/60/93/90/933609390.db2.gz VLQAWHCGSMEYAJ-GJZGRUSLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)C2CCCC2)C1 ZINC001317524949 933611004 /nfs/dbraw/zinc/61/10/04/933611004.db2.gz CYCNFPIUNFRIBJ-OAHLLOKOSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCC[N@H+](CCNC(=O)[C@@H]1CCC[C@H](F)C1)C1CC1 ZINC001317553127 933616837 /nfs/dbraw/zinc/61/68/37/933616837.db2.gz QEBFUICTFUTZNH-CABCVRRESA-N 1 1 296.430 3.062 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)C[C@@H](C=C)CC)C1 ZINC001317762551 933645296 /nfs/dbraw/zinc/64/52/96/933645296.db2.gz AZKLMFVPYDUBBJ-JKSUJKDBSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)C2=CCCCCC2)C1 ZINC001317754099 933645351 /nfs/dbraw/zinc/64/53/51/933645351.db2.gz LQVCJJVCLZPSDG-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)CC(C)=C(C)C)C1 ZINC001317798441 933652196 /nfs/dbraw/zinc/65/21/96/933652196.db2.gz VTWXAQFBLQQEFV-MRXNPFEDSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](CCNC(=O)C[C@H](CC)C(C)C)C1 ZINC001317809629 933654125 /nfs/dbraw/zinc/65/41/25/933654125.db2.gz QMQGHDOTVUYYOI-CVEARBPZSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCCCC[NH+]1CC(NC(=O)[C@H]2CCC[C@@H](C)C2)C1 ZINC001318058576 933681107 /nfs/dbraw/zinc/68/11/07/933681107.db2.gz XZHYFHMLIGAQAW-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCCC)CC1 ZINC001318215466 933697443 /nfs/dbraw/zinc/69/74/43/933697443.db2.gz GPXMDMUVCQUFQE-IRXDYDNUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)/C(C)=C\C)C1 ZINC001318466130 933729713 /nfs/dbraw/zinc/72/97/13/933729713.db2.gz QMACAMKEJRHCGK-USCQQBMNSA-N 1 1 278.440 3.230 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N2CC[N@H+](CC)[C@@H](C)C2)c1 ZINC001467477418 937718373 /nfs/dbraw/zinc/71/83/73/937718373.db2.gz HFZKVYQNBVNSTD-AWEZNQCLSA-N 1 1 287.407 3.278 20 30 CGEDMO C=CCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)c1ccccc1 ZINC001468644282 937730108 /nfs/dbraw/zinc/73/01/08/937730108.db2.gz OJALUOPAFZDEDV-MRXNPFEDSA-N 1 1 286.419 3.328 20 30 CGEDMO C#CCC[N@H+](C)CCC1CCN(C(=O)CCC(C)C)CC1 ZINC001319874975 933948270 /nfs/dbraw/zinc/94/82/70/933948270.db2.gz IVFHQZDWSSTWBO-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CC[N@H+](C)CCN(C)C(=O)c1cc(CCC)c(C)s1 ZINC001320080305 933995602 /nfs/dbraw/zinc/99/56/02/933995602.db2.gz LSVJFCAGWRPOOJ-UHFFFAOYSA-N 1 1 294.464 3.199 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC001320209499 934018011 /nfs/dbraw/zinc/01/80/11/934018011.db2.gz VRNUARDAWLZZNQ-GFCCVEGCSA-N 1 1 269.747 3.256 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC001320209499 934018017 /nfs/dbraw/zinc/01/80/17/934018017.db2.gz VRNUARDAWLZZNQ-GFCCVEGCSA-N 1 1 269.747 3.256 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cn2c3ccccc3oc2=S)C1 ZINC001320308322 934027107 /nfs/dbraw/zinc/02/71/07/934027107.db2.gz KTFGPTMGCFURHM-GFCCVEGCSA-N 1 1 290.388 3.198 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cn2c3ccccc3oc2=S)C1 ZINC001320308322 934027117 /nfs/dbraw/zinc/02/71/17/934027117.db2.gz KTFGPTMGCFURHM-GFCCVEGCSA-N 1 1 290.388 3.198 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@H](C)NC(=O)C1(CC)CCC1 ZINC001322224231 934261674 /nfs/dbraw/zinc/26/16/74/934261674.db2.gz PZUZVNXPQILFGE-GJZGRUSLSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2ncc(C(C)(C)C)s2)C1 ZINC001322337073 934280667 /nfs/dbraw/zinc/28/06/67/934280667.db2.gz GMQPDRBUJGGBKC-LBPRGKRZSA-N 1 1 280.437 3.218 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ncc(C(C)(C)C)s2)C1 ZINC001322337073 934280673 /nfs/dbraw/zinc/28/06/73/934280673.db2.gz GMQPDRBUJGGBKC-LBPRGKRZSA-N 1 1 280.437 3.218 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]1CNC(=O)C12CCC(CC1)CC2 ZINC001323354864 934388720 /nfs/dbraw/zinc/38/87/20/934388720.db2.gz CKAOTIDCHFGVOK-PQUAAJSLSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC(C)C ZINC001323763613 934423673 /nfs/dbraw/zinc/42/36/73/934423673.db2.gz OSTWHMWEHSJDTC-IYBDPMFKSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)CCCCC)C2)C1 ZINC001323834663 934428873 /nfs/dbraw/zinc/42/88/73/934428873.db2.gz BXUMCGLKBKHFGE-INIZCTEOSA-N 1 1 298.858 3.244 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)CCCCC)C2)C1 ZINC001323834663 934428879 /nfs/dbraw/zinc/42/88/79/934428879.db2.gz BXUMCGLKBKHFGE-INIZCTEOSA-N 1 1 298.858 3.244 20 30 CGEDMO C=CCCCN(CC)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001472254138 937774369 /nfs/dbraw/zinc/77/43/69/937774369.db2.gz LBEVZOFNWIRZAH-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@](C)(NC(=O)c2cc(C)c(C)o2)C1 ZINC001324602027 934532600 /nfs/dbraw/zinc/53/26/00/934532600.db2.gz PHFSXLVELVZVKM-KRWDZBQOSA-N 1 1 290.407 3.057 20 30 CGEDMO C[C@H](N[NH+]=Cc1ccc(N2CCCC2)cc1)C(F)(F)F ZINC001324611187 934533521 /nfs/dbraw/zinc/53/35/21/934533521.db2.gz WZIBCFQTNDTNDW-NSHDSACASA-N 1 1 285.313 3.161 20 30 CGEDMO C=CC[N@@H+](CC[C@@H]1CCC[C@@H](C)C1)CC(=O)OCC ZINC001473131027 937794019 /nfs/dbraw/zinc/79/40/19/937794019.db2.gz MGCXIDPHSZHBMU-CABCVRRESA-N 1 1 267.413 3.254 20 30 CGEDMO C=CC[N@H+](CC[C@@H]1CCC[C@@H](C)C1)CC(=O)OCC ZINC001473131027 937794021 /nfs/dbraw/zinc/79/40/21/937794021.db2.gz MGCXIDPHSZHBMU-CABCVRRESA-N 1 1 267.413 3.254 20 30 CGEDMO CC[C@H](C)[C@H](C)[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC001473348414 937802599 /nfs/dbraw/zinc/80/25/99/937802599.db2.gz SNFLXPBDRCFDHX-ZQIUZPCESA-N 1 1 272.392 3.366 20 30 CGEDMO C=CC[C@H]([NH2+][C@H]1CCC[C@@H](C(C)C)C1)C(=O)OCC ZINC001324976470 934879412 /nfs/dbraw/zinc/87/94/12/934879412.db2.gz REJXMBJMHCDHQU-ILXRZTDVSA-N 1 1 267.413 3.299 20 30 CGEDMO C#C[C@H]1CCC[N@H+](CCOc2ccc(SC)cc2)C1 ZINC001473587334 937812760 /nfs/dbraw/zinc/81/27/60/937812760.db2.gz JQYHEZPBHIENEV-AWEZNQCLSA-N 1 1 275.417 3.133 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C)cc1-c1ccnn1C)CC1CC1 ZINC001325279943 934900560 /nfs/dbraw/zinc/90/05/60/934900560.db2.gz UOABTQYSEJDCBI-UHFFFAOYSA-N 1 1 293.414 3.241 20 30 CGEDMO C[C@H](CO)[N@@H+](Cc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC001325398370 934909832 /nfs/dbraw/zinc/90/98/32/934909832.db2.gz IJHXFSADOPXFFL-CQSZACIVSA-N 1 1 298.361 3.080 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)CCCC ZINC001325899420 934938431 /nfs/dbraw/zinc/93/84/31/934938431.db2.gz LTPINMBYJQMAOH-GVDBMIGSSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCCN(C(=O)C=C(C)C)[C@@H]2C1 ZINC001325920296 934939213 /nfs/dbraw/zinc/93/92/13/934939213.db2.gz ZFMNPBDWZUUBAV-IXDOHACOSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](C)C(CC)CC)[C@@H]2C1 ZINC001325942116 934940248 /nfs/dbraw/zinc/94/02/48/934940248.db2.gz GXHVVRMTIHZNSE-HYVNUMGLSA-N 1 1 292.467 3.168 20 30 CGEDMO C#CC[N@H+](CC1CC1)[C@H](C)c1nnc(-c2cccs2)o1 ZINC001325994478 934943106 /nfs/dbraw/zinc/94/31/06/934943106.db2.gz JJPZGJBHKKMUID-LLVKDONJSA-N 1 1 287.388 3.204 20 30 CGEDMO C#CC[N@@H+](CC1CC1)[C@H](C)c1nnc(-c2cccs2)o1 ZINC001325994478 934943108 /nfs/dbraw/zinc/94/31/08/934943108.db2.gz JJPZGJBHKKMUID-LLVKDONJSA-N 1 1 287.388 3.204 20 30 CGEDMO C#CCOCC[N@@H+]1CCC[C@@]1(CC)Cc1ccccc1 ZINC001473631418 937814984 /nfs/dbraw/zinc/81/49/84/937814984.db2.gz SKLVGPMSSCEQBO-SFHVURJKSA-N 1 1 271.404 3.124 20 30 CGEDMO CCCCCCCC[N@H+]1CCC[C@]1(COC)C(=O)OC ZINC001473643487 937815671 /nfs/dbraw/zinc/81/56/71/937815671.db2.gz SOQCDGJLAGJTPN-INIZCTEOSA-N 1 1 285.428 3.001 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)co2)CC1 ZINC001327141083 935035236 /nfs/dbraw/zinc/03/52/36/935035236.db2.gz BHXPBJVVTLBOCB-HNNXBMFYSA-N 1 1 290.407 3.139 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CCC[N@@H+](CC(=C)C)CC1 ZINC001327147349 935036338 /nfs/dbraw/zinc/03/63/38/935036338.db2.gz NZXHYTSKQTXHLY-DOTOQJQBSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)C1(C)CCCCC1 ZINC001327258142 935047663 /nfs/dbraw/zinc/04/76/63/935047663.db2.gz NOFOOZNPUWELJD-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)[C@H]1C[C@]1(C)C(C)C ZINC001327276685 935051172 /nfs/dbraw/zinc/05/11/72/935051172.db2.gz DYPSWKJYWRVGJR-NVXWUHKLSA-N 1 1 280.456 3.025 20 30 CGEDMO C#CC[N@H+](CC1CCC(O)CC1)[C@@H]1CCc2ccccc21 ZINC001327511595 935064153 /nfs/dbraw/zinc/06/41/53/935064153.db2.gz HUWYGEZERNWSHM-GXOAENINSA-N 1 1 283.415 3.160 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1nc(C)nc1-c1ccccc1 ZINC001328027954 935110572 /nfs/dbraw/zinc/11/05/72/935110572.db2.gz XPFYNHCSYVUAEE-CALCHBBNSA-N 1 1 294.402 3.394 20 30 CGEDMO C#CCCCCC(=O)N[C@H]1CC[N@H+](CC(C)C)CC1(C)C ZINC001328079729 935115807 /nfs/dbraw/zinc/11/58/07/935115807.db2.gz BYEJMHXHBXJKIX-INIZCTEOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCC[C@@H]1C[N@H+](C)CC(=C)C ZINC001328736631 935164310 /nfs/dbraw/zinc/16/43/10/935164310.db2.gz KFDSLJFWCMEYJS-QGZVFWFLSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)CCC1(C)CC1 ZINC001328780570 935169075 /nfs/dbraw/zinc/16/90/75/935169075.db2.gz NHTNUBCLMYAUIP-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)C[C@H](C)C1CC1 ZINC001328799643 935169704 /nfs/dbraw/zinc/16/97/04/935169704.db2.gz YIAHXEBBEVPOKN-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]([C@H]2CC[N@@H+](CC=C)C2)C1 ZINC001328810245 935171061 /nfs/dbraw/zinc/17/10/61/935171061.db2.gz WYMKVUQLIPOCBE-SJORKVTESA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)Cc1cccs1 ZINC001329373460 935209585 /nfs/dbraw/zinc/20/95/85/935209585.db2.gz SPFQWPBLHOCJFH-UONOGXRCSA-N 1 1 294.464 3.082 20 30 CGEDMO C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](CC)CCCC ZINC001329908434 935253487 /nfs/dbraw/zinc/25/34/87/935253487.db2.gz JZBCEPFTJCWRSS-IAGOWNOFSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)CCCC ZINC001329909820 935253884 /nfs/dbraw/zinc/25/38/84/935253884.db2.gz VZASMVCQUHMNRZ-HNNXBMFYSA-N 1 1 266.429 3.114 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](CCCC)C(C)C)C(C)(C)C1 ZINC001330260679 935281413 /nfs/dbraw/zinc/28/14/13/935281413.db2.gz CXHFQHMCNXMOEU-HZPDHXFCSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C2(CC)CCCCC2)C(C)(C)C1 ZINC001330263239 935281734 /nfs/dbraw/zinc/28/17/34/935281734.db2.gz QZZOEJYUKNIKJD-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C(C)C)C[C@H]2C1 ZINC001330465674 935289765 /nfs/dbraw/zinc/28/97/65/935289765.db2.gz FCNVSKMVLITZMV-BZUAXINKSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC(C)C)C[C@@H]2C1 ZINC001330468013 935290195 /nfs/dbraw/zinc/29/01/95/935290195.db2.gz OINQLXDXXHTFCX-IXDOHACOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)CC(CC)CC)CC1 ZINC001331059822 935346636 /nfs/dbraw/zinc/34/66/36/935346636.db2.gz NFXKDADPKSBGCS-UHFFFAOYSA-N 1 1 280.456 3.312 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC001332523397 935475261 /nfs/dbraw/zinc/47/52/61/935475261.db2.gz QAAPOXYANLWTRG-CABCVRRESA-N 1 1 299.374 3.479 20 30 CGEDMO CC[NH+](CC)C1CCN(CC2CCC(C#N)CC2)CC1 ZINC001332593960 935477733 /nfs/dbraw/zinc/47/77/33/935477733.db2.gz SXZCCHYUWSOJJD-UHFFFAOYSA-N 1 1 277.456 3.123 20 30 CGEDMO N#CC1CCC(C[N@@H+](Cc2ccccn2)C2CC2)CC1 ZINC001332696520 935483595 /nfs/dbraw/zinc/48/35/95/935483595.db2.gz BKJMVMJEDLWZSM-UHFFFAOYSA-N 1 1 269.392 3.376 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)C[C@H]2CC[C@@H](C)C2)CC1 ZINC001333395298 935532561 /nfs/dbraw/zinc/53/25/61/935532561.db2.gz NYSQBFIWWFBTPM-WBVHZDCISA-N 1 1 290.451 3.137 20 30 CGEDMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1cncc(C#N)c1 ZINC001333919421 936075494 /nfs/dbraw/zinc/07/54/94/936075494.db2.gz NOQQLTOZCITXJH-ZWNOBZJWSA-N 1 1 283.297 3.116 20 30 CGEDMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1cncc(C#N)c1 ZINC001333919421 936075497 /nfs/dbraw/zinc/07/54/97/936075497.db2.gz NOQQLTOZCITXJH-ZWNOBZJWSA-N 1 1 283.297 3.116 20 30 CGEDMO C[C@@H]1CCc2nc(C[NH2+]Cc3ccc(C#N)cc3)sc2C1 ZINC001334786798 936114658 /nfs/dbraw/zinc/11/46/58/936114658.db2.gz MSRGNVSCLIDZCT-GFCCVEGCSA-N 1 1 297.427 3.429 20 30 CGEDMO C=CCCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CCC ZINC001337257352 936245833 /nfs/dbraw/zinc/24/58/33/936245833.db2.gz CZWBDASKJHRUTR-CABCVRRESA-N 1 1 266.429 3.112 20 30 CGEDMO Cc1ccc(C[N@@H+](C)CCc2cccc(C#N)c2)cc1C#N ZINC001473732814 937819855 /nfs/dbraw/zinc/81/98/55/937819855.db2.gz XCLSXAXMRFKBFI-UHFFFAOYSA-N 1 1 289.382 3.413 20 30 CGEDMO C#CC[N@H+](C[C@H](O)C(C)C)[C@@H]1CCCc2ccccc21 ZINC001473825828 937823319 /nfs/dbraw/zinc/82/33/19/937823319.db2.gz GNTQRFUEBUKBMZ-MSOLQXFVSA-N 1 1 271.404 3.016 20 30 CGEDMO C[C@]12C[N@@H+](Cc3cccc(C#N)c3F)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001473840943 937824434 /nfs/dbraw/zinc/82/44/34/937824434.db2.gz RFPQEQFIQQCZSB-OBZJAWTPSA-N 1 1 282.362 3.341 20 30 CGEDMO C#C[C@@H]1CCCC[N@@H+]1Cc1c(C)cc(C#N)cc1C ZINC001473868853 937826037 /nfs/dbraw/zinc/82/60/37/937826037.db2.gz XNQAQVLYWVNXIL-MRXNPFEDSA-N 1 1 252.361 3.163 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](N2CCCC2)C[C@H]1C(C)C ZINC001473877989 937826512 /nfs/dbraw/zinc/82/65/12/937826512.db2.gz YXSQDYXEGADQQB-HOTGVXAUSA-N 1 1 250.430 3.147 20 30 CGEDMO C=C(C[NH2+]Cc1ccnn1-c1ccncc1)c1ccccc1 ZINC001473982476 937833687 /nfs/dbraw/zinc/83/36/87/937833687.db2.gz PBLCQQOFLJDVBP-UHFFFAOYSA-N 1 1 290.370 3.070 20 30 CGEDMO C#CC[N@H+](Cc1c(C)cc(OC)cc1O)C1CCCCC1 ZINC001474339536 937852455 /nfs/dbraw/zinc/85/24/55/937852455.db2.gz LSZMUWDTGAIQTN-UHFFFAOYSA-N 1 1 287.403 3.477 20 30 CGEDMO C#CC[N@H+](CC#CC)[C@H]1CC[C@](C)(c2ccccc2)C1 ZINC001474369689 937855590 /nfs/dbraw/zinc/85/55/90/937855590.db2.gz OPEOFUYEHAYEFS-OALUTQOASA-N 1 1 265.400 3.455 20 30 CGEDMO C=CCC[C@@H](CC)[NH2+][C@H](CC(C)(C)C)C(=O)OC ZINC001474597179 937869574 /nfs/dbraw/zinc/86/95/74/937869574.db2.gz SFFHBGSMUUCWNB-CHWSQXEVSA-N 1 1 255.402 3.299 20 30 CGEDMO C=CCC[C@H](CCC)[NH2+][C@@H](CC(C)C)C(=O)OC ZINC001474685980 937875478 /nfs/dbraw/zinc/87/54/78/937875478.db2.gz ILRWVVQNGVFKDE-KBPBESRZSA-N 1 1 255.402 3.299 20 30 CGEDMO C#CC[N@H+](C)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC001474733888 937877444 /nfs/dbraw/zinc/87/74/44/937877444.db2.gz WGVAPQQWSZODAE-LLVKDONJSA-N 1 1 255.283 3.374 20 30 CGEDMO CC#CC[N@@H+](C)Cc1ccccc1CC(F)(F)F ZINC001474734218 937877781 /nfs/dbraw/zinc/87/77/81/937877781.db2.gz LQUYIGQQKAPPIW-UHFFFAOYSA-N 1 1 255.283 3.247 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@H+](C[C@H](C)CC)[C@@H]1CC ZINC001479635314 937923221 /nfs/dbraw/zinc/92/32/21/937923221.db2.gz CNJSUZZIKOJVOD-OWCLPIDISA-N 1 1 280.456 3.358 20 30 CGEDMO C#CCCCC(=O)N[C@H]1CC[N@@H+](CCCC(C)C)[C@@H]1CC ZINC001479633103 937923431 /nfs/dbraw/zinc/92/34/31/937923431.db2.gz AYPYJLUVGRJAJF-DLBZAZTESA-N 1 1 292.467 3.195 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1CC[N@H+](CCCCC)[C@@H]1C ZINC001479718960 937924620 /nfs/dbraw/zinc/92/46/20/937924620.db2.gz KSRCFHGTZSLVHX-VYDXJSESSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1occc1C ZINC001479732734 937924911 /nfs/dbraw/zinc/92/49/11/937924911.db2.gz UREGOBFDBPNPCM-HNNXBMFYSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)C[C@H](C)SC ZINC001479734129 937924999 /nfs/dbraw/zinc/92/49/99/937924999.db2.gz IMNXJPJRIKJDRQ-GJZGRUSLSA-N 1 1 298.496 3.017 20 30 CGEDMO C=C1CC(C)(C(=O)NCCC[N@H+](C)Cc2ccsc2)C1 ZINC001479795204 937925851 /nfs/dbraw/zinc/92/58/51/937925851.db2.gz ILQHRZOKTPCSKV-UHFFFAOYSA-N 1 1 292.448 3.043 20 30 CGEDMO C=CCC[N@@H+](CC)CCCNC(=O)c1cc2ccccc2[nH]1 ZINC001479860846 937927143 /nfs/dbraw/zinc/92/71/43/937927143.db2.gz WECYVENIBNTTPD-UHFFFAOYSA-N 1 1 299.418 3.186 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)CCCCC(C)(C)C)C1 ZINC001479904500 937928849 /nfs/dbraw/zinc/92/88/49/937928849.db2.gz NLSHYDFILHWUDB-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC001479960112 937929681 /nfs/dbraw/zinc/92/96/81/937929681.db2.gz AJDFOTXQEWRRSF-NVXWUHKLSA-N 1 1 298.430 3.077 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)CC(C)(C)CC)C1 ZINC001479953814 937929794 /nfs/dbraw/zinc/92/97/94/937929794.db2.gz GTZQCBVLCVLEDG-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO C=C[C@H](C(=O)N[C@@H]1CC[N@H+](CC=C(C)C)C1)c1ccccc1 ZINC001479971524 937930291 /nfs/dbraw/zinc/93/02/91/937930291.db2.gz BNXXXIUHBLAGRA-MSOLQXFVSA-N 1 1 298.430 3.113 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCCC[N@@H+]1CCCCC ZINC001480311557 937936082 /nfs/dbraw/zinc/93/60/82/937936082.db2.gz GLMKVDPQSWNEEX-HNNXBMFYSA-N 1 1 266.429 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)C1(C2CC2)CC1 ZINC001480319807 937936354 /nfs/dbraw/zinc/93/63/54/937936354.db2.gz NBKQASQKJHPBGD-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C(F)=C2CCCC2)C1 ZINC001480378310 937937642 /nfs/dbraw/zinc/93/76/42/937937642.db2.gz PWFGKQHOCQXAJL-HIFRSBDPSA-N 1 1 294.414 3.187 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@@H](C)[NH2+]C/C(Cl)=C\Cl ZINC001480523164 937939479 /nfs/dbraw/zinc/93/94/79/937939479.db2.gz XIXHFFIOSMGMEP-FYLRKMKASA-N 1 1 293.238 3.002 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC001480716664 937942676 /nfs/dbraw/zinc/94/26/76/937942676.db2.gz NDSYWNJPJSPDMV-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1(C)CC1 ZINC001493147274 937948124 /nfs/dbraw/zinc/94/81/24/937948124.db2.gz BICKVKSSURHVBN-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@H+](CCCNC(=O)C1CC=CC1)C(C)C ZINC001493856315 937951530 /nfs/dbraw/zinc/95/15/30/937951530.db2.gz VRMPHQFHSOZKOA-UHFFFAOYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)C2CCCCC2)C1 ZINC001493939433 937952249 /nfs/dbraw/zinc/95/22/49/937952249.db2.gz ROMUTJNRVCOSKR-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H](C)CCC)C1 ZINC001493943357 937952459 /nfs/dbraw/zinc/95/24/59/937952459.db2.gz YBQAGTJRHDGTGJ-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H](C)C2CC2)C1 ZINC001493946416 937952527 /nfs/dbraw/zinc/95/25/27/937952527.db2.gz FNGQMMUTSCVLSU-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H](C)C2CCC2)C1 ZINC001494027276 937952937 /nfs/dbraw/zinc/95/29/37/937952937.db2.gz DHVSCRJOBKMMPW-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)c2cc(Cl)c[nH]2)C1 ZINC001494335551 937954147 /nfs/dbraw/zinc/95/41/47/937954147.db2.gz AJPOTTMLYIFPCA-UHFFFAOYSA-N 1 1 297.830 3.053 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](F)CC2CCCCC2)C1 ZINC001494327042 937954314 /nfs/dbraw/zinc/95/43/14/937954314.db2.gz OFSFWGXWRHXLRC-HOTGVXAUSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCCCCC[NH+]1CC(NC(=O)c2cscc2C)C1 ZINC001494367665 937954490 /nfs/dbraw/zinc/95/44/90/937954490.db2.gz BZZWZYZKSMIRHS-UHFFFAOYSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CCCCCC[NH+]1CC(NC(=O)CC2=CCCCC2)C1 ZINC001494357732 937954583 /nfs/dbraw/zinc/95/45/83/937954583.db2.gz BSADTFJQWYEDIH-UHFFFAOYSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CCC[C@H](C)[NH+]1CC(NC(=O)c2sc(C)cc2C)C1 ZINC001494395881 937954716 /nfs/dbraw/zinc/95/47/16/937954716.db2.gz ILMUZCWQJWRQLL-LBPRGKRZSA-N 1 1 292.448 3.134 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H](CC=C)c2ccccc2)C1 ZINC001494792748 937956247 /nfs/dbraw/zinc/95/62/47/937956247.db2.gz PHRGABUUSUPJMO-QZTJIDSGSA-N 1 1 298.430 3.113 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)c1cc(C)cs1 ZINC001498272309 937968873 /nfs/dbraw/zinc/96/88/73/937968873.db2.gz JQRRNSJGVBUDDR-CYBMUJFWSA-N 1 1 280.437 3.073 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1C1CC1 ZINC001498942666 937971307 /nfs/dbraw/zinc/97/13/07/937971307.db2.gz CPLJOMHNDYPDTI-QGZVFWFLSA-N 1 1 298.430 3.221 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001498978636 937971948 /nfs/dbraw/zinc/97/19/48/937971948.db2.gz HVBRIARVRPFWHM-ARFHVFGLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@H]1CC[N@@H+]1CC/C=C/CC ZINC001499059053 937972223 /nfs/dbraw/zinc/97/22/23/937972223.db2.gz ZNESFKSWCPMGTF-PJZFAXFVSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCCC(=O)N1CCC([N@@H+](CCF)CC2CC2)CC1 ZINC001499530967 937973719 /nfs/dbraw/zinc/97/37/19/937973719.db2.gz OSXBGPJDEQLHMG-UHFFFAOYSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC[C@]2(CC[N@@H+](CC(=C)C)C2)C1 ZINC001499614879 937973989 /nfs/dbraw/zinc/97/39/89/937973989.db2.gz VAIWRDOHPBOXMY-WMZOPIPTSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@]2(CC[N@H+](CCCCC)C2)C1 ZINC001499603444 937974098 /nfs/dbraw/zinc/97/40/98/937974098.db2.gz OOWBLFXLNKWXFD-SFHVURJKSA-N 1 1 292.467 3.457 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@]1(C)CC[N@@H+](CCC(=C)C)C1 ZINC001500250464 937976577 /nfs/dbraw/zinc/97/65/77/937976577.db2.gz BYNWVZLFZQOGAV-NVXWUHKLSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@]1(C)CC[N@@H+](CCC(=C)C)C1 ZINC001500250463 937976579 /nfs/dbraw/zinc/97/65/79/937976579.db2.gz BYNWVZLFZQOGAV-DOTOQJQBSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)C[C@H](C)CC)C1 ZINC001500492566 937977724 /nfs/dbraw/zinc/97/77/24/937977724.db2.gz KUSLXCVGRZZYDE-WBVHZDCISA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@H]2C[N@H+](CC(C)C)C[C@H]21 ZINC001501417446 937979471 /nfs/dbraw/zinc/97/94/71/937979471.db2.gz CILZGRUNGSKWQC-JKSUJKDBSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)/C=C\C(C)(C)C ZINC001501384046 937979496 /nfs/dbraw/zinc/97/94/96/937979496.db2.gz ZAOVSUNZLQCFPM-JBILIXEDSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)CCC)C2 ZINC001502540887 937982667 /nfs/dbraw/zinc/98/26/67/937982667.db2.gz IJJVDMDWIYIPNC-FUHWJXTLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)CCCCC(C)C)C[C@H]1C ZINC001503003460 937983943 /nfs/dbraw/zinc/98/39/43/937983943.db2.gz RSFZXDCTTLTKMI-HZPDHXFCSA-N 1 1 280.456 3.358 20 30 CGEDMO C#CCCCC(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)[C@@H](C)C1 ZINC001502923391 937983966 /nfs/dbraw/zinc/98/39/66/937983966.db2.gz QHTVVKWZZIFPRO-HOTGVXAUSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[N@@H+](CCC2CC2)[C@H](C)C1 ZINC001502923057 937984134 /nfs/dbraw/zinc/98/41/34/937984134.db2.gz MUOSBMQFIGCLNJ-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC1CCN(C(=O)C=C(C)C)CC1 ZINC001505394023 937984955 /nfs/dbraw/zinc/98/49/55/937984955.db2.gz SGMQTNAPPNTKME-UHFFFAOYSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCCC(=O)NC[C@H](C)[N@@H+](C)Cc1cc(C)ccc1C ZINC001505884145 937987616 /nfs/dbraw/zinc/98/76/16/937987616.db2.gz FOFQDWBKRWBCNU-INIZCTEOSA-N 1 1 288.435 3.206 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)/C=C(\C)C1CC1 ZINC001505879917 937987621 /nfs/dbraw/zinc/98/76/21/937987621.db2.gz WHHCMIGPBMHZGT-TZLBIFBXSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)[C@H](C)C1CCCC1 ZINC001506036321 937988816 /nfs/dbraw/zinc/98/88/16/937988816.db2.gz JLPZZCPKHAFVIS-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)C1CCCC1 ZINC001506036319 937989031 /nfs/dbraw/zinc/98/90/31/937989031.db2.gz JLPZZCPKHAFVIS-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@H](C)C1CC1 ZINC001506581870 937990825 /nfs/dbraw/zinc/99/08/25/937990825.db2.gz LKEDKJDWQQSIDI-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@H](C)CC)CC1(C)C ZINC001506743597 937991598 /nfs/dbraw/zinc/99/15/98/937991598.db2.gz IPDVYMOUVCRIAD-ZIAGYGMSSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1C[N@H+](C[C@@H](C)CC)CC1(C)C ZINC001506743590 937991604 /nfs/dbraw/zinc/99/16/04/937991604.db2.gz IPDVYMOUVCRIAD-KBPBESRZSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCC[N@@H+]1CCCC2(CN(C(=O)/C=C\C(C)(C)C)C2)C1 ZINC001506855936 937992146 /nfs/dbraw/zinc/99/21/46/937992146.db2.gz KDNFJLPVUXGIKK-NTMALXAHSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C2(CCC)CC2)[C@@H]1C ZINC001507387995 937995827 /nfs/dbraw/zinc/99/58/27/937995827.db2.gz ZYLXPPSQEJCJQH-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)C[C@@H](C)CC)C(C)C ZINC001507786804 937996778 /nfs/dbraw/zinc/99/67/78/937996778.db2.gz FJZTWCIYPHLJFB-HNNXBMFYSA-N 1 1 268.445 3.168 20 30 CGEDMO C=CCCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001525487858 938049740 /nfs/dbraw/zinc/04/97/40/938049740.db2.gz NSHNIWOOWLQDTK-HNNXBMFYSA-N 1 1 266.429 3.112 20 30 CGEDMO C#CCCCCCC[N@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC001559779614 938235411 /nfs/dbraw/zinc/23/54/11/938235411.db2.gz CQHJESBORIRCNK-CVEARBPZSA-N 1 1 251.414 3.053 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC001559832451 938236533 /nfs/dbraw/zinc/23/65/33/938236533.db2.gz RVHPWOPBJLAUQC-LLVKDONJSA-N 1 1 299.305 3.456 20 30 CGEDMO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@](C)(c2ccccc2)CC1 ZINC001559831439 938236635 /nfs/dbraw/zinc/23/66/35/938236635.db2.gz SQSZOZBLLFCNOS-SJLPKXTDSA-N 1 1 287.403 3.158 20 30 CGEDMO C=C[C@H](C(=O)OC)[N@H+]1CCC[C@@](C)(c2ccccc2)CC1 ZINC001559831439 938236636 /nfs/dbraw/zinc/23/66/36/938236636.db2.gz SQSZOZBLLFCNOS-SJLPKXTDSA-N 1 1 287.403 3.158 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)C[C@H](O)[C@H](C)c1ccccc1 ZINC001559821704 938236742 /nfs/dbraw/zinc/23/67/42/938236742.db2.gz ZKXGVNNJSQZCQS-XLIONFOSSA-N 1 1 293.410 3.286 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CC[C@H](Oc3ccccc3)C2)cc1 ZINC001559942755 938239605 /nfs/dbraw/zinc/23/96/05/938239605.db2.gz OJSWJNPMHUECGQ-IBGZPJMESA-N 1 1 295.357 3.331 20 30 CGEDMO C=CC[N@H+](Cc1cccc(OCCC)c1)[C@@H](C)COC ZINC001559993139 938241186 /nfs/dbraw/zinc/24/11/86/938241186.db2.gz QIALSESWHFVZGH-HNNXBMFYSA-N 1 1 277.408 3.498 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](CCO[C@H](CC)c2ccccc2)C1 ZINC001560135971 938244788 /nfs/dbraw/zinc/24/47/88/938244788.db2.gz HCUDIIWMTYLVKS-SJLPKXTDSA-N 1 1 271.404 3.500 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(-n3nc(C)cc3C)cc2)C1 ZINC001560135792 938244876 /nfs/dbraw/zinc/24/48/76/938244876.db2.gz BWDNTUYBVUQIIY-KRWDZBQOSA-N 1 1 293.414 3.334 20 30 CGEDMO C#CC[N@@H+](C[C@H](O)c1ccc(Cl)cc1)C(C)(C)C ZINC001560156506 938245497 /nfs/dbraw/zinc/24/54/97/938245497.db2.gz PRVIRESXTJSWKA-AWEZNQCLSA-N 1 1 265.784 3.107 20 30 CGEDMO C#CC[N@H+](C[C@H](C)OC)[C@H]1CCCc2ccccc21 ZINC001560172221 938245882 /nfs/dbraw/zinc/24/58/82/938245882.db2.gz QSCIXTUNWYSXTM-YOEHRIQHSA-N 1 1 257.377 3.034 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1csnc1OC ZINC001560200327 938246796 /nfs/dbraw/zinc/24/67/96/938246796.db2.gz SYASFSCGHSLVBD-LBPRGKRZSA-N 1 1 252.383 3.082 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1CCc1csc(C)n1 ZINC001560199678 938246820 /nfs/dbraw/zinc/24/68/20/938246820.db2.gz AQZVJXOELVPYNO-CQSZACIVSA-N 1 1 250.411 3.425 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@]2(CCOC2=O)C1 ZINC001560237889 938248295 /nfs/dbraw/zinc/24/82/95/938248295.db2.gz UQXVTADBFMOXDL-INIZCTEOSA-N 1 1 267.413 3.376 20 30 CGEDMO C#Cc1ccc(CNC[C@@]2([NH+](C)C)CCC[C@H](C)C2)cc1 ZINC001560285638 938251009 /nfs/dbraw/zinc/25/10/09/938251009.db2.gz BQVSUDODFGNHLZ-QFBILLFUSA-N 1 1 284.447 3.268 20 30 CGEDMO C#CCCCCCC[NH+]1CC(Oc2ccc(C#N)cc2)C1 ZINC001560876308 938281498 /nfs/dbraw/zinc/28/14/98/938281498.db2.gz FCGLAQNLKVOZPR-UHFFFAOYSA-N 1 1 282.387 3.205 20 30 CGEDMO COc1cccc(C[N@@H+](C)CCc2cccc(C#N)c2)c1F ZINC001560975728 938287309 /nfs/dbraw/zinc/28/73/09/938287309.db2.gz AHGMKGUCNFWPRR-UHFFFAOYSA-N 1 1 298.361 3.380 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H](C=C)CC)C1 ZINC001481738771 957715908 /nfs/dbraw/zinc/71/59/08/957715908.db2.gz PLCSRFVPHKVBPY-HZPDHXFCSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC[C@@H](C[N@@H+](C)CCC(C)C)C1 ZINC001317847928 957900622 /nfs/dbraw/zinc/90/06/22/957900622.db2.gz JDCSIGCZNFZUHJ-IRXDYDNUSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C(C)C ZINC001490798930 957900749 /nfs/dbraw/zinc/90/07/49/957900749.db2.gz NWJFSAMPMYPUPQ-VVLHAWIVSA-N 1 1 292.467 3.308 20 30 CGEDMO C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@H](C)C(C)(C)C ZINC001158787417 958833202 /nfs/dbraw/zinc/83/32/02/958833202.db2.gz SHIACCZMYFSWQB-JKSUJKDBSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCCC[N@H+](C)CCCN(C)C(=O)c1ccc(Cl)o1 ZINC001570190556 960460689 /nfs/dbraw/zinc/46/06/89/960460689.db2.gz PBVJQOBKIXZJML-UHFFFAOYSA-N 1 1 298.814 3.293 20 30 CGEDMO C=CCCCC(=O)N(C)[C@@H]1CC[N@H+]([C@H](C)CCC=C)C1 ZINC001567920260 960603532 /nfs/dbraw/zinc/60/35/32/960603532.db2.gz ALQXNBGDWFDTPT-HZPDHXFCSA-N 1 1 278.440 3.230 20 30 CGEDMO C=CCC1(C(=O)N(C)C[C@@H]2CC[N@@H+]2CCC)CCCCC1 ZINC001565835451 960842299 /nfs/dbraw/zinc/84/22/99/960842299.db2.gz NJUHDFNPSAAFOS-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CC(C)=C(C)C)C[C@@H]2C1 ZINC001566047656 960862551 /nfs/dbraw/zinc/86/25/51/960862551.db2.gz KULNPPNCTYXCBL-SJORKVTESA-N 1 1 290.451 3.089 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](NC(=O)C[C@@H](CC)CCCC)[C@H]1CC ZINC001566018730 960867644 /nfs/dbraw/zinc/86/76/44/960867644.db2.gz NKZBRKRBELZHSQ-YESZJQIVSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C[C@H](CC)C(C)(C)C)[C@H]1C ZINC001566109239 960881304 /nfs/dbraw/zinc/88/13/04/960881304.db2.gz DVVYSORMWYRDMU-ILXRZTDVSA-N 1 1 280.456 3.214 20 30 CGEDMO C#CCCCCCC(=O)N[C@H]1CC[N@H+](C[C@H](C)CC)[C@@H]1C ZINC001566100028 960885666 /nfs/dbraw/zinc/88/56/66/960885666.db2.gz WKGAOMFEMGNVRQ-ZACQAIPSSA-N 1 1 292.467 3.195 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC001566117719 960887917 /nfs/dbraw/zinc/88/79/17/960887917.db2.gz SBDUQZRWPKIBPE-KRWDZBQOSA-N 1 1 286.419 3.189 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CCC2CC2)CC(C)(C)C1 ZINC001566127895 960894806 /nfs/dbraw/zinc/89/48/06/960894806.db2.gz JDOUIRWAAQOYSQ-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@@H+](C)CCCNC(=O)c1cc(F)ccc1C ZINC001566478142 960945233 /nfs/dbraw/zinc/94/52/33/960945233.db2.gz IKWJWDWWZFCULP-UHFFFAOYSA-N 1 1 292.398 3.152 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001566626253 960976056 /nfs/dbraw/zinc/97/60/56/960976056.db2.gz GDASQHYYBQOJQT-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)CCCCCC)C1 ZINC001566633187 960976786 /nfs/dbraw/zinc/97/67/86/960976786.db2.gz LSQURJDMBLNDMA-OAHLLOKOSA-N 1 1 266.429 3.114 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)C2(C3CC3)CC2)C1 ZINC001566666731 960981015 /nfs/dbraw/zinc/98/10/15/960981015.db2.gz OXPKIJLVXHMDPQ-INIZCTEOSA-N 1 1 292.467 3.338 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H](F)CC2CCCCC2)C1 ZINC001566678796 960982963 /nfs/dbraw/zinc/98/29/63/960982963.db2.gz FVIPJUHTFMSPQG-HOTGVXAUSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)/C(C)=C/C)CC1 ZINC001566696803 960986949 /nfs/dbraw/zinc/98/69/49/960986949.db2.gz CNDOVSKWVZYXMB-AWNIVKPZSA-N 1 1 298.858 3.408 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)CC(CC)CC)C1 ZINC001566676764 960990363 /nfs/dbraw/zinc/99/03/63/960990363.db2.gz QWZARBHALVTSCV-GOEBONIOSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)c2ccc(C=C)cc2)C1 ZINC001566744447 961011400 /nfs/dbraw/zinc/01/14/00/961011400.db2.gz ZJMPFDVMQOSWMT-QGZVFWFLSA-N 1 1 298.430 3.300 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)C2CC(C)(C)C2)C1 ZINC001566867912 961040304 /nfs/dbraw/zinc/04/03/04/961040304.db2.gz DBYOQVKPEFROTN-HNNXBMFYSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[C@H]([N@@H+](C)CCC(=C)C)C1 ZINC001567196410 961140843 /nfs/dbraw/zinc/14/08/43/961140843.db2.gz KJWKEFCURVLXSD-SJORKVTESA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)CCCC)C1 ZINC001567197122 961140931 /nfs/dbraw/zinc/14/09/31/961140931.db2.gz XINAUBCJYBXBAS-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H]1CCCNC(=O)C[C@H]1C=CCC1 ZINC001567242996 961151804 /nfs/dbraw/zinc/15/18/04/961151804.db2.gz CYGQTGBRBJHQGN-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)/C=C(\C)C1CC1 ZINC001567246771 961152496 /nfs/dbraw/zinc/15/24/96/961152496.db2.gz IQIKIQRSXDMTDH-ZWKQNVPVSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CCC(=O)NCC[N@H+](C)Cc1cc(C)cc(C)c1 ZINC001567284633 961255872 /nfs/dbraw/zinc/25/58/72/961255872.db2.gz QBIBZPVEFWXHOW-UHFFFAOYSA-N 1 1 288.435 3.208 20 30 CGEDMO C=CCC[N@@H+](C)CCNC(=O)c1cccc(C2CCC2)c1 ZINC001567313457 961273397 /nfs/dbraw/zinc/27/33/97/961273397.db2.gz AAHMXZVYLNYXMQ-UHFFFAOYSA-N 1 1 286.419 3.192 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)C12CCC(CC1)CC2 ZINC001567354371 961285930 /nfs/dbraw/zinc/28/59/30/961285930.db2.gz ZVJFWJFCUYPNPR-UHFFFAOYSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)c1ccsc1C ZINC001567332072 961286504 /nfs/dbraw/zinc/28/65/04/961286504.db2.gz UZQNVUYIMJFJAB-ZDUSSCGKSA-N 1 1 294.464 3.463 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](CNC(=O)c2cccc(C)c2)C1 ZINC001567389437 961306427 /nfs/dbraw/zinc/30/64/27/961306427.db2.gz QHRGHORRWPDJBV-MRXNPFEDSA-N 1 1 286.419 3.013 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@H]1CCC[N@@H+]1CCC(C)C ZINC001567368218 961313906 /nfs/dbraw/zinc/31/39/06/961313906.db2.gz RRCNKUVGSXIIQV-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1CC[N@H+](CCCCC)C1 ZINC001567406002 961319077 /nfs/dbraw/zinc/31/90/77/961319077.db2.gz MDWXLFKWTRZWJY-HNNXBMFYSA-N 1 1 280.456 3.217 20 30 CGEDMO C#CCC[N@H+](CCCNC(=O)[C@H](C)C1CCCC1)C(C)C ZINC001567651482 961377928 /nfs/dbraw/zinc/37/79/28/961377928.db2.gz ODAPIZDXNDREAT-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)C(C)(C)CC)C(C)C ZINC001567648097 961385528 /nfs/dbraw/zinc/38/55/28/961385528.db2.gz ZORDJVXUJSWHMA-UHFFFAOYSA-N 1 1 268.445 3.215 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)[C@H]1CCC1(C)C)C(C)C ZINC001567647799 961385671 /nfs/dbraw/zinc/38/56/71/961385671.db2.gz STDFAXSNIVSUEZ-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCCC(=O)N(CCC)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001567688306 961387297 /nfs/dbraw/zinc/38/72/97/961387297.db2.gz KUDAGWHQJAEEEH-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)/C=C(/C)CC)C1 ZINC001567683739 961389576 /nfs/dbraw/zinc/38/95/76/961389576.db2.gz ZNQNHLWYRUASEE-UVQBRAAOSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCC(CC=C)C(=O)N(CCC)[C@@H]1CC[N@@H+](CC)C1 ZINC001567683383 961399165 /nfs/dbraw/zinc/39/91/65/961399165.db2.gz VRGBVSQLKHHAJE-MRXNPFEDSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001567713063 961402849 /nfs/dbraw/zinc/40/28/49/961402849.db2.gz VHUHGQXFCWPWIN-BRWVUGGUSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC(C)(C)CC(=O)NCC[C@@H]1CC[N@H+](C[C@H](C)CC)C1 ZINC001567701274 961407024 /nfs/dbraw/zinc/40/70/24/961407024.db2.gz GHKDJNRVSKGPPE-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](CCNC(=O)c2sccc2Cl)C1 ZINC001567699427 961409193 /nfs/dbraw/zinc/40/91/93/961409193.db2.gz LFPHENMOHFHUMM-NSHDSACASA-N 1 1 298.839 3.029 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H](C[N@@H+](C)CC=C(C)C)C1 ZINC001567737193 961418150 /nfs/dbraw/zinc/41/81/50/961418150.db2.gz VKDTUKBPDUQLFA-MRXNPFEDSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CC(C)(C)CC(=O)NC1C[NH+](CCC2=CCCCC2)C1 ZINC001567794939 961437241 /nfs/dbraw/zinc/43/72/41/961437241.db2.gz NTKHCYVHQSPIBL-UHFFFAOYSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC1(C)C ZINC001567854835 961442941 /nfs/dbraw/zinc/44/29/41/961442941.db2.gz MHRNVQKUPCFQPS-HRCADAONSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1=CCCCC1 ZINC001567857162 961443341 /nfs/dbraw/zinc/44/33/41/961443341.db2.gz USXSXOOQJNQREE-IRXDYDNUSA-N 1 1 288.435 3.128 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CCC2CC2)C1 ZINC001567905769 961451320 /nfs/dbraw/zinc/45/13/20/961451320.db2.gz DNGGKADTUYKRCX-GDBMZVCRSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)CC2CCCCC2)C1 ZINC001567922244 961468022 /nfs/dbraw/zinc/46/80/22/961468022.db2.gz OYBVECUYSVNXEN-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc(C(C)C)cc1 ZINC001569148769 961712745 /nfs/dbraw/zinc/71/27/45/961712745.db2.gz OGJXKLVUSXGFES-OAHLLOKOSA-N 1 1 288.435 3.436 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccsc1 ZINC001569360032 961742084 /nfs/dbraw/zinc/74/20/84/961742084.db2.gz RCLXJMCRXDXOFE-AWEZNQCLSA-N 1 1 292.448 3.041 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1CC[N@H+]1Cc1ccsc1 ZINC001569360032 961742100 /nfs/dbraw/zinc/74/21/00/961742100.db2.gz RCLXJMCRXDXOFE-AWEZNQCLSA-N 1 1 292.448 3.041 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CNC(=O)c1sccc1CC ZINC001569383336 961750687 /nfs/dbraw/zinc/75/06/87/961750687.db2.gz PBCTWUSFMLVOSW-AWEZNQCLSA-N 1 1 292.448 3.081 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)CC(C)C ZINC001569448893 961770420 /nfs/dbraw/zinc/77/04/20/961770420.db2.gz LSNSQJCNJDBFRU-BBWFWOEESA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCCC(=O)N1CC[C@]2(C1)CCC[N@@H+](CC(=C)Cl)C2 ZINC001569463891 961776666 /nfs/dbraw/zinc/77/66/66/961776666.db2.gz CSIBABWOOARYNV-MRXNPFEDSA-N 1 1 296.842 3.020 20 30 CGEDMO C=CCCC(=O)N1CC[C@]2(C1)CCC[N@H+](CC(=C)Cl)C2 ZINC001569463891 961776672 /nfs/dbraw/zinc/77/66/72/961776672.db2.gz CSIBABWOOARYNV-MRXNPFEDSA-N 1 1 296.842 3.020 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@](C)(NC(=O)C(C)(F)F)C1 ZINC001569628023 961802392 /nfs/dbraw/zinc/80/23/92/961802392.db2.gz HGKVWYRYSYNNRL-CQSZACIVSA-N 1 1 290.398 3.193 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)CCC2CCCC2)C1 ZINC001569628919 961811554 /nfs/dbraw/zinc/81/15/54/961811554.db2.gz XWBUAXHYSOAFHP-QGZVFWFLSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@]1(C)CC[N@H+](C[C@@H](C)CC)C1 ZINC001569638986 961812740 /nfs/dbraw/zinc/81/27/40/961812740.db2.gz KWXANCVOBMNRLK-WMLDXEAASA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@@H+]1CCC[C@](C)(CNC(=O)C(C)=C2CCCC2)C1 ZINC001569712404 961827405 /nfs/dbraw/zinc/82/74/05/961827405.db2.gz VACHLFLUGKQKKF-GOSISDBHSA-N 1 1 290.451 3.281 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](C)C2CC2)C1 ZINC001569712443 961832751 /nfs/dbraw/zinc/83/27/51/961832751.db2.gz VWGLPCOWRMPZBP-MAUKXSAKSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C)C(C)(C)C)C2 ZINC001569859078 961855925 /nfs/dbraw/zinc/85/59/25/961855925.db2.gz LTIDTMCTYMBCOE-LVQVYYBASA-N 1 1 292.467 3.214 20 30 CGEDMO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H](C)CC)C2 ZINC001569858529 961863546 /nfs/dbraw/zinc/86/35/46/961863546.db2.gz RWGUDAMTGOSCQT-WCXIOVBPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2C/C=C\Cl ZINC001569910869 961869302 /nfs/dbraw/zinc/86/93/02/961869302.db2.gz XJQRACUWFURPPT-IBPQLYTASA-N 1 1 296.842 3.161 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC(=C)C ZINC001569913009 961869875 /nfs/dbraw/zinc/86/98/75/961869875.db2.gz MKICQTAWWOUSTE-ZACQAIPSSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@@H](C)CCC)[C@@H]2C1 ZINC001569918880 961877406 /nfs/dbraw/zinc/87/74/06/961877406.db2.gz XTWUUTVKWZJQRA-YESZJQIVSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)/C=C(\C)CC)CC1 ZINC001570174788 961917095 /nfs/dbraw/zinc/91/70/95/961917095.db2.gz JMZFOLYACFLWKP-WONIAPNHSA-N 1 1 284.831 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)C12CCC(CC1)C2 ZINC001570200613 961925427 /nfs/dbraw/zinc/92/54/27/961925427.db2.gz AXIKNVBNINEECJ-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1CC(C)C ZINC001570208607 961937798 /nfs/dbraw/zinc/93/77/98/961937798.db2.gz MFKJQYGBLQDKDF-HZPDHXFCSA-N 1 1 280.456 3.025 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](C/C=C\Cl)CC1(C)C ZINC001570393245 961959851 /nfs/dbraw/zinc/95/98/51/961959851.db2.gz FKQQZUGBPMXVFY-UQYHUFHVSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)CC(C)=C(C)C)C[C@H]1C ZINC001570440697 961967167 /nfs/dbraw/zinc/96/71/67/961967167.db2.gz NVSXOXMPJWZWES-HZPDHXFCSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC1CCN(C(=O)CCC2CC2)CC1 ZINC001570499706 961976636 /nfs/dbraw/zinc/97/66/36/961976636.db2.gz BETPPOCONYPNDM-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)C1CCC1 ZINC001570521705 961985540 /nfs/dbraw/zinc/98/55/40/961985540.db2.gz CBTHNUKGOPTYEB-ZBFHGGJFSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)c1coc(C)c1 ZINC001570527970 961985863 /nfs/dbraw/zinc/98/58/63/961985863.db2.gz NCHOCINDIPIKKW-MRXNPFEDSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)C[C@H]1C=CCCC1 ZINC001570534221 961987256 /nfs/dbraw/zinc/98/72/56/961987256.db2.gz FHCJYQLIVWPMPE-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC12CC2 ZINC001570534522 961991202 /nfs/dbraw/zinc/99/12/02/961991202.db2.gz KYHMQKKCNUZRNP-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C#CCCCCCC(=O)N1CCC[C@H]1C[N@H+](C)CC(=C)C ZINC001570538783 961991316 /nfs/dbraw/zinc/99/13/16/961991316.db2.gz SMBNZCAVJDFMIO-KRWDZBQOSA-N 1 1 290.451 3.069 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)/C=C(\C)C1CC1 ZINC001570525256 961991531 /nfs/dbraw/zinc/99/15/31/961991531.db2.gz BBLFQQBJLWCPPB-VMEIHUARSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)c1ccn(C(C)C)c1C ZINC001570730282 962052724 /nfs/dbraw/zinc/05/27/24/962052724.db2.gz MMKHBBVTDVAZAV-CQSZACIVSA-N 1 1 291.439 3.004 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1C[N@H+](CCC(=C)C)CC1(C)C ZINC001570896644 962112665 /nfs/dbraw/zinc/11/26/65/962112665.db2.gz HOJPSDACYONGCQ-HNNXBMFYSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCCC(=O)N1CC2(C1)CCC[N@H+]([C@H](C)CCC=C)C2 ZINC001571031329 962118820 /nfs/dbraw/zinc/11/88/20/962118820.db2.gz GDMXMEGKLIJXPX-MRXNPFEDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)C2CC(C)(C)C2)CC1 ZINC001571330125 962136920 /nfs/dbraw/zinc/13/69/20/962136920.db2.gz AOVJVOHVRZDPOL-UHFFFAOYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCC(=O)N[C@@]12CCC[C@@H]1[N@@H+](CCC(=C)C)CC2 ZINC001571503717 962172214 /nfs/dbraw/zinc/17/22/14/962172214.db2.gz UXZBZVANMBIPCS-FUHWJXTLSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)CC(CC)CC)[C@H]1C ZINC001571524839 962175531 /nfs/dbraw/zinc/17/55/31/962175531.db2.gz KQJYILAJIYAOCS-ZBFHGGJFSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)[C@H](C)c1ccc(C)o1)C(C)C ZINC001571615168 962189596 /nfs/dbraw/zinc/18/95/96/962189596.db2.gz HZGTZESIEVNGOH-OAHLLOKOSA-N 1 1 292.423 3.046 20 30 CGEDMO C=C(Cl)CN1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC001574859805 962322663 /nfs/dbraw/zinc/32/26/63/962322663.db2.gz IZDYQRJYVMPZGJ-HIFRSBDPSA-N 1 1 270.848 3.359 20 30 CGEDMO C[NH2+]CCC1CCN(CC#Cc2ccc(Cl)cc2)CC1 ZINC001578677843 962590934 /nfs/dbraw/zinc/59/09/34/962590934.db2.gz NWSYNKPCRRQWJS-UHFFFAOYSA-N 1 1 290.838 3.013 20 30 CGEDMO C=C(CC(C)C)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC001584742503 962951292 /nfs/dbraw/zinc/95/12/92/962951292.db2.gz SBWLDZSNQHDJKK-INIZCTEOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C1CCC(C(=O)NCC[N@@H+]2CCCC[C@@H]2CC)CC1 ZINC001585717294 963042415 /nfs/dbraw/zinc/04/24/15/963042415.db2.gz RVZHBMDFIMAFCS-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO CC[N@H+](Cc1ccc(C#N)s1)Cc1ccccn1 ZINC000124813182 187155657 /nfs/dbraw/zinc/15/56/57/187155657.db2.gz IRTLINRQVPEZII-UHFFFAOYSA-N 1 1 257.362 3.037 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)s1)Cc1ccccn1 ZINC000124813182 187155658 /nfs/dbraw/zinc/15/56/58/187155658.db2.gz IRTLINRQVPEZII-UHFFFAOYSA-N 1 1 257.362 3.037 20 30 CGEDMO CC(C)(C)[N@H+]1CCCN(Cc2cccc(F)c2C#N)CC1 ZINC000589984320 346820157 /nfs/dbraw/zinc/82/01/57/346820157.db2.gz JTAUDNRICBFLCI-UHFFFAOYSA-N 1 1 289.398 3.004 20 30 CGEDMO N#Cc1ccc(F)cc1C[NH+]1CCC(C2CC2)CC1 ZINC000590006721 346821621 /nfs/dbraw/zinc/82/16/21/346821621.db2.gz RCOSWTIGCRGCLY-UHFFFAOYSA-N 1 1 258.340 3.319 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCS[C@H](c3ccccc3)C2)C1 ZINC000590161673 346833561 /nfs/dbraw/zinc/83/35/61/346833561.db2.gz GJLRNDFWTMLZMN-KBMXLJTQSA-N 1 1 272.417 3.469 20 30 CGEDMO Cc1[nH+]cn(-c2ccc(NC(=O)CC3(C#N)CC3)cc2)c1C ZINC000590403868 346845472 /nfs/dbraw/zinc/84/54/72/346845472.db2.gz KIZVEBHMANUUHV-UHFFFAOYSA-N 1 1 294.358 3.122 20 30 CGEDMO C=CC[C@@H]1CCCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000622144527 349637393 /nfs/dbraw/zinc/63/73/93/349637393.db2.gz LICMEVOECQXXBY-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@@H](CO)CC(C)(C)C ZINC000590761595 346872473 /nfs/dbraw/zinc/87/24/73/346872473.db2.gz XEHFNHUYVJVVTC-MRXNPFEDSA-N 1 1 274.408 3.096 20 30 CGEDMO C[C@H](CCC#N)[NH+]1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000591015576 346894392 /nfs/dbraw/zinc/89/43/92/346894392.db2.gz GSNSMIVMORASHR-VGMNWLOBSA-N 1 1 288.235 3.351 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](CC2CCC(F)(F)CC2)C1 ZINC000590956072 346890198 /nfs/dbraw/zinc/89/01/98/346890198.db2.gz NAEFLABZRMYIPF-CYBMUJFWSA-N 1 1 256.340 3.438 20 30 CGEDMO CC[C@@H](C[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1)OC ZINC000412977315 529472822 /nfs/dbraw/zinc/47/28/22/529472822.db2.gz LVWDIYJYAPDVAU-CJNGLKHVSA-N 1 1 260.381 3.366 20 30 CGEDMO CCc1ccccc1[C@H]([NH3+])CN[C@H](C)c1cccc(C#N)c1 ZINC000423504694 529616742 /nfs/dbraw/zinc/61/67/42/529616742.db2.gz NSVRLRJMMMMAII-AUUYWEPGSA-N 1 1 293.414 3.471 20 30 CGEDMO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1ccncc1C#N ZINC000592071525 346960814 /nfs/dbraw/zinc/96/08/14/346960814.db2.gz JUAYNWVCSMMELV-KSSFIOAISA-N 1 1 277.371 3.331 20 30 CGEDMO CC(C)N(CC1(C#N)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000592154445 346967758 /nfs/dbraw/zinc/96/77/58/346967758.db2.gz STTSAULUJKZTBL-SFHVURJKSA-N 1 1 297.446 3.275 20 30 CGEDMO N#CCCCC[N@@H+]1CCC[C@@H](O)[C@@H]1CCc1ccccc1 ZINC000592166144 346968553 /nfs/dbraw/zinc/96/85/53/346968553.db2.gz GZVRCQOLLIBSSP-ZWKOTPCHSA-N 1 1 286.419 3.138 20 30 CGEDMO C[C@@H]1CC2(C[N@H+]1Cc1cccc(C#N)c1F)CCOCC2 ZINC000592185100 346970059 /nfs/dbraw/zinc/97/00/59/346970059.db2.gz VVXAMLWLYRNTHN-CYBMUJFWSA-N 1 1 288.366 3.088 20 30 CGEDMO C[N@@H+](CCC(=O)c1ccccc1)Cc1cccc(C#N)c1 ZINC000165423088 529873573 /nfs/dbraw/zinc/87/35/73/529873573.db2.gz RGLZHHLZNLFFQG-UHFFFAOYSA-N 1 1 278.355 3.263 20 30 CGEDMO C[N@@H+](CCc1nccs1)Cc1ccc(C#N)cc1Cl ZINC000439439354 529939159 /nfs/dbraw/zinc/93/91/59/529939159.db2.gz MOTXITGKVQWECW-UHFFFAOYSA-N 1 1 291.807 3.343 20 30 CGEDMO CC[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)[C@H](C)CO1 ZINC000593063267 347034261 /nfs/dbraw/zinc/03/42/61/347034261.db2.gz SYHCDFHWUMKPAI-HUUCEWRRSA-N 1 1 264.413 3.350 20 30 CGEDMO N#Cc1cccc(OCCC[N@@H+]2CC[C@@]3(CC3(F)F)C2)c1 ZINC000593119364 347041873 /nfs/dbraw/zinc/04/18/73/347041873.db2.gz WJRHLWGUUKWGFK-OAHLLOKOSA-N 1 1 292.329 3.058 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593117980 347042307 /nfs/dbraw/zinc/04/23/07/347042307.db2.gz UOZFKOLUCDEXNS-FZMZJTMJSA-N 1 1 262.303 3.350 20 30 CGEDMO C[N@H+]1CCCC[C@H]1CCC(=O)Nc1cccc2c[nH]nc21 ZINC000329226333 530052757 /nfs/dbraw/zinc/05/27/57/530052757.db2.gz AHTOKTRJUGPTFS-ZDUSSCGKSA-N 1 1 286.379 3.415 20 30 CGEDMO CCC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C(C)C ZINC000037096143 344947333 /nfs/dbraw/zinc/94/73/33/344947333.db2.gz NPUUZIHBODMRJO-UHFFFAOYSA-N 1 1 273.380 3.007 20 30 CGEDMO COc1ccc(F)cc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046527201 345040755 /nfs/dbraw/zinc/04/07/55/345040755.db2.gz PWAJIRRDFFEFSY-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO COc1ccc(F)cc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046527201 345040760 /nfs/dbraw/zinc/04/07/60/345040760.db2.gz PWAJIRRDFFEFSY-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)N(C)Cc1ccc(CC)cc1 ZINC000061758733 345232948 /nfs/dbraw/zinc/23/29/48/345232948.db2.gz GRVKKTBQWBWMOG-UHFFFAOYSA-N 1 1 288.435 3.105 20 30 CGEDMO C[C@H](CC#N)[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000068608805 345356762 /nfs/dbraw/zinc/35/67/62/345356762.db2.gz PWRIAVYSAPYGDR-CQSZACIVSA-N 1 1 281.359 3.052 20 30 CGEDMO CC(C)(C)[C@@H]1CCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000072608970 345414311 /nfs/dbraw/zinc/41/43/11/345414311.db2.gz HJRZNSMDFMWEGA-INIZCTEOSA-N 1 1 299.418 3.397 20 30 CGEDMO C[N@@H+](CCC#N)C1CCN(c2ccc(Cl)cc2)CC1 ZINC000072801713 345418361 /nfs/dbraw/zinc/41/83/61/345418361.db2.gz TXAYSPSSUBHEBN-UHFFFAOYSA-N 1 1 277.799 3.154 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCc1ccccn1 ZINC000076154390 345536479 /nfs/dbraw/zinc/53/64/79/345536479.db2.gz RJIYYXKOSDETAP-OALUTQOASA-N 1 1 291.398 3.396 20 30 CGEDMO N#CCCCC[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000084136629 345729387 /nfs/dbraw/zinc/72/93/87/345729387.db2.gz XLPFDXZOCQYCQB-UHFFFAOYSA-N 1 1 250.292 3.017 20 30 CGEDMO N#CCCCC[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000084136629 345729390 /nfs/dbraw/zinc/72/93/90/345729390.db2.gz XLPFDXZOCQYCQB-UHFFFAOYSA-N 1 1 250.292 3.017 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[NH+]2[C@H](C)CC[C@H]2C)c1C#N ZINC000091072052 345802953 /nfs/dbraw/zinc/80/29/53/345802953.db2.gz XBGMWBLFXVEYKP-ZIAGYGMSSA-N 1 1 294.402 3.425 20 30 CGEDMO COCC[N@@H+](CCC#N)CC1CCC(C)(C)CC1 ZINC000093100078 345869382 /nfs/dbraw/zinc/86/93/82/345869382.db2.gz OOCNQQKMGODLPP-UHFFFAOYSA-N 1 1 252.402 3.065 20 30 CGEDMO C=CCCC[N@H+](C)Cc1nc2sc(C)c(C)c2c(N)n1 ZINC000093174995 345872370 /nfs/dbraw/zinc/87/23/70/345872370.db2.gz KIKIKTYWPGGCKI-UHFFFAOYSA-N 1 1 290.436 3.288 20 30 CGEDMO CN(C)CC[C@@H]([NH2+]Cc1cc(C#N)cs1)C(C)(C)C ZINC000177702758 346251155 /nfs/dbraw/zinc/25/11/55/346251155.db2.gz BCWLNNKYNJHOPZ-CQSZACIVSA-N 1 1 279.453 3.076 20 30 CGEDMO N#CC1(C[NH2+]CC2=Cc3ccccc3OC2)CCCC1 ZINC000593649440 347099400 /nfs/dbraw/zinc/09/94/00/347099400.db2.gz DRNFSJHFXSXDJL-UHFFFAOYSA-N 1 1 268.360 3.136 20 30 CGEDMO Cc1ccc(-c2nn(C)cc2C[NH2+]CC2(C#N)CCCC2)o1 ZINC000593653954 347099937 /nfs/dbraw/zinc/09/99/37/347099937.db2.gz LGEFRPDPVHGNNQ-UHFFFAOYSA-N 1 1 298.390 3.162 20 30 CGEDMO N#Cc1cc(C[N@@H+](CCCO)Cc2ccccc2)ccc1F ZINC000269011893 232538960 /nfs/dbraw/zinc/53/89/60/232538960.db2.gz VJRYLLVFNGGHRB-UHFFFAOYSA-N 1 1 298.361 3.082 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000397656153 346583901 /nfs/dbraw/zinc/58/39/01/346583901.db2.gz FZVSAWNTAGXXBT-CABCVRRESA-N 1 1 270.376 3.178 20 30 CGEDMO CN1CC[C@@H]2CC[N@@H+](Cc3ccc(C(C)(C)C#N)cc3)[C@@H]2C1 ZINC000585781574 346730411 /nfs/dbraw/zinc/73/04/11/346730411.db2.gz SVRQDSNQSPHTMJ-SJLPKXTDSA-N 1 1 297.446 3.014 20 30 CGEDMO C[N@@H+]1CC[C@@H]2CCN(Cc3ccc(C(C)(C)C#N)cc3)[C@@H]2C1 ZINC000585781574 346730414 /nfs/dbraw/zinc/73/04/14/346730414.db2.gz SVRQDSNQSPHTMJ-SJLPKXTDSA-N 1 1 297.446 3.014 20 30 CGEDMO C[N@H+]1CC[C@@H]2CCN(Cc3ccc(C(C)(C)C#N)cc3)[C@@H]2C1 ZINC000585781574 346730416 /nfs/dbraw/zinc/73/04/16/346730416.db2.gz SVRQDSNQSPHTMJ-SJLPKXTDSA-N 1 1 297.446 3.014 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000589300235 346792869 /nfs/dbraw/zinc/79/28/69/346792869.db2.gz ILGUGSGZWLKPHN-ROUUACIJSA-N 1 1 296.414 3.400 20 30 CGEDMO C[C@@]1(c2ccccc2)CC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000593960642 347123998 /nfs/dbraw/zinc/12/39/98/347123998.db2.gz BAFKDBMKYNNALS-GOSISDBHSA-N 1 1 277.371 3.117 20 30 CGEDMO N#CCCCC[C@@H]([NH3+])c1nc(C2CCCCC2)no1 ZINC000593944687 347121594 /nfs/dbraw/zinc/12/15/94/347121594.db2.gz ZWSIBBROJFPGMJ-GFCCVEGCSA-N 1 1 262.357 3.201 20 30 CGEDMO N#Cc1ccc(C2([NH2+]Cc3cscn3)CCC2)cc1 ZINC000594032829 347140799 /nfs/dbraw/zinc/14/07/99/347140799.db2.gz RDIHNPBRKQLDBW-UHFFFAOYSA-N 1 1 269.373 3.184 20 30 CGEDMO N#Cc1ccc(C2([NH2+]Cc3nccs3)CCC2)cc1 ZINC000594033061 347140905 /nfs/dbraw/zinc/14/09/05/347140905.db2.gz GOGXNSVGAUMLDD-UHFFFAOYSA-N 1 1 269.373 3.184 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1C[C@@H](C)OC2(CCCCC2)C1 ZINC000594059758 347146632 /nfs/dbraw/zinc/14/66/32/347146632.db2.gz ZZENMGQZJAIHRK-ZIAGYGMSSA-N 1 1 250.386 3.102 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CC2(CCCCC2)O1 ZINC000594057581 347146656 /nfs/dbraw/zinc/14/66/56/347146656.db2.gz IEQVACBOXPZIHA-HNNXBMFYSA-N 1 1 284.403 3.482 20 30 CGEDMO C[N@@H+](CCCc1c(F)cccc1F)CC(C)(C)C#N ZINC000593992589 347132417 /nfs/dbraw/zinc/13/24/17/347132417.db2.gz CSSFEUJOQUFKAX-UHFFFAOYSA-N 1 1 266.335 3.379 20 30 CGEDMO N#Cc1cc(F)ccc1N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000594604385 347200942 /nfs/dbraw/zinc/20/09/42/347200942.db2.gz YUPRPVOUQRQHQI-JKSUJKDBSA-N 1 1 273.355 3.126 20 30 CGEDMO CC(C)(C#N)c1ccc(CNCC[N@H+]2CCCC2(C)C)cc1 ZINC000594507032 347181565 /nfs/dbraw/zinc/18/15/65/347181565.db2.gz KHJGTRHTEJMNNQ-UHFFFAOYSA-N 1 1 299.462 3.452 20 30 CGEDMO CC(C)(C#N)c1ccc(C[NH2+]CCN2CCCC2(C)C)cc1 ZINC000594507032 347181567 /nfs/dbraw/zinc/18/15/67/347181567.db2.gz KHJGTRHTEJMNNQ-UHFFFAOYSA-N 1 1 299.462 3.452 20 30 CGEDMO CC(C)c1nnc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)[nH]1 ZINC000594507733 347182234 /nfs/dbraw/zinc/18/22/34/347182234.db2.gz QQANTVNFXCRVLK-UHFFFAOYSA-N 1 1 297.406 3.019 20 30 CGEDMO COc1ccc(C[NH2+]CC2(C#N)CCCCC2)cc1F ZINC000594993711 347251465 /nfs/dbraw/zinc/25/14/65/347251465.db2.gz FWOJHRCVPOFYLL-UHFFFAOYSA-N 1 1 276.355 3.398 20 30 CGEDMO C[C@@H]1Cc2c([nH+]cn2CCc2ccc(C#N)cc2)C[C@@H]1C ZINC000594900223 347225373 /nfs/dbraw/zinc/22/53/73/347225373.db2.gz QQXIICRUQAYZIF-UONOGXRCSA-N 1 1 279.387 3.368 20 30 CGEDMO CC[N@H+](CCc1nsc2ccccc21)C[C@@H](C)C#N ZINC000595299465 347289322 /nfs/dbraw/zinc/28/93/22/347289322.db2.gz ZVRYHNXQGJYGEF-LBPRGKRZSA-N 1 1 273.405 3.320 20 30 CGEDMO CC[N@@H+](CCc1nsc2ccccc21)C[C@@H](C)C#N ZINC000595299465 347289323 /nfs/dbraw/zinc/28/93/23/347289323.db2.gz ZVRYHNXQGJYGEF-LBPRGKRZSA-N 1 1 273.405 3.320 20 30 CGEDMO CC[N@@H+](CCc1ccc(C#N)cc1)Cc1ccoc1 ZINC000595308308 347290318 /nfs/dbraw/zinc/29/03/18/347290318.db2.gz GRNXFNNQUYNWRC-UHFFFAOYSA-N 1 1 254.333 3.216 20 30 CGEDMO C[N@@H+](CCc1ccc(C#N)cc1)[C@@H](CCO)c1ccccc1 ZINC000595325990 347292349 /nfs/dbraw/zinc/29/23/49/347292349.db2.gz LEKUPQOCYNWLBQ-IBGZPJMESA-N 1 1 294.398 3.156 20 30 CGEDMO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595611180 347326384 /nfs/dbraw/zinc/32/63/84/347326384.db2.gz HVTVKDAUAVOFLJ-HZPDHXFCSA-N 1 1 299.418 3.256 20 30 CGEDMO Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595611180 347326386 /nfs/dbraw/zinc/32/63/86/347326386.db2.gz HVTVKDAUAVOFLJ-HZPDHXFCSA-N 1 1 299.418 3.256 20 30 CGEDMO COCC[C@H](c1ccccc1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595621505 347328787 /nfs/dbraw/zinc/32/87/87/347328787.db2.gz VTHIXWZUICFJOR-DOTOQJQBSA-N 1 1 272.392 3.390 20 30 CGEDMO COc1cncc(/C=C\CC[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595622401 347329110 /nfs/dbraw/zinc/32/91/10/347329110.db2.gz ABZVGEMHTUWVPA-PRSOIBJXSA-N 1 1 285.391 3.119 20 30 CGEDMO Cc1cc(C[N@@H+]2CC3(CCCC3)OC[C@H]2C)ccc1C#N ZINC000595813615 347358746 /nfs/dbraw/zinc/35/87/46/347358746.db2.gz AFSZPFCVGNCATK-OAHLLOKOSA-N 1 1 284.403 3.400 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000595659888 347334052 /nfs/dbraw/zinc/33/40/52/347334052.db2.gz QRZPNKOVYQDDGF-CYBMUJFWSA-N 1 1 285.347 3.255 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000595657735 347334147 /nfs/dbraw/zinc/33/41/47/347334147.db2.gz BODMDAFYUUTGCV-GJZGRUSLSA-N 1 1 297.402 3.173 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc(C(=O)OC)c(F)c2)C1 ZINC000595657904 347334470 /nfs/dbraw/zinc/33/44/70/347334470.db2.gz CFTFQUJHPBEELE-CYBMUJFWSA-N 1 1 291.366 3.400 20 30 CGEDMO C[C@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)[C@H]1CCO ZINC000595690179 347338371 /nfs/dbraw/zinc/33/83/71/347338371.db2.gz WGGQRUZLEGZBNW-HOTGVXAUSA-N 1 1 278.440 3.333 20 30 CGEDMO C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)[C@H]1CCO ZINC000595699879 347341604 /nfs/dbraw/zinc/34/16/04/347341604.db2.gz OXOKAYKZKAEDBO-WBMJQRKESA-N 1 1 292.810 3.195 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)[C@H]1CCO ZINC000595699879 347341606 /nfs/dbraw/zinc/34/16/06/347341606.db2.gz OXOKAYKZKAEDBO-WBMJQRKESA-N 1 1 292.810 3.195 20 30 CGEDMO COc1cccc([C@]2(C)CC[N@H+]([C@@H]3CC[C@H](C#N)C3)C2)c1 ZINC000595771086 347353712 /nfs/dbraw/zinc/35/37/12/347353712.db2.gz ZNNBRSYVWCBSPK-YXJHDRRASA-N 1 1 284.403 3.351 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCOc3cccc(F)c3C2)cc1 ZINC000595478203 347309612 /nfs/dbraw/zinc/30/96/12/347309612.db2.gz ZEMDCABEIXUVQL-UHFFFAOYSA-N 1 1 296.345 3.134 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](c3ccccn3)C2)c1F ZINC000595500459 347312503 /nfs/dbraw/zinc/31/25/03/347312503.db2.gz JNLYITKXDGCEPW-OAHLLOKOSA-N 1 1 295.361 3.472 20 30 CGEDMO CC[N@H+]1CCCN(Cc2ccccc2C(C)(C)C#N)[C@@H](C)C1 ZINC000595534591 347315785 /nfs/dbraw/zinc/31/57/85/347315785.db2.gz CYQHWIMQVDVKRE-INIZCTEOSA-N 1 1 299.462 3.404 20 30 CGEDMO CCN1CCC[N@H+](Cc2ccccc2C(C)(C)C#N)[C@@H](C)C1 ZINC000595534591 347315790 /nfs/dbraw/zinc/31/57/90/347315790.db2.gz CYQHWIMQVDVKRE-INIZCTEOSA-N 1 1 299.462 3.404 20 30 CGEDMO CCN1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@@H](C)C1 ZINC000595534591 347315792 /nfs/dbraw/zinc/31/57/92/347315792.db2.gz CYQHWIMQVDVKRE-INIZCTEOSA-N 1 1 299.462 3.404 20 30 CGEDMO CC(C)(C#N)CCCC[N@@H+](C1CC1)C1(CO)CCC1 ZINC000595533254 347316109 /nfs/dbraw/zinc/31/61/09/347316109.db2.gz KFEVZAGZXWLWDD-UHFFFAOYSA-N 1 1 264.413 3.086 20 30 CGEDMO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](C3CCC3)C2)cc1 ZINC000595832129 347362799 /nfs/dbraw/zinc/36/27/99/347362799.db2.gz IPXCLQBSNMPTEQ-INIZCTEOSA-N 1 1 297.402 3.009 20 30 CGEDMO CCCOc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000595843533 347366628 /nfs/dbraw/zinc/36/66/28/347366628.db2.gz LAHXSSBKOOJFLN-INIZCTEOSA-N 1 1 258.365 3.211 20 30 CGEDMO CCCOc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000595843533 347366629 /nfs/dbraw/zinc/36/66/29/347366629.db2.gz LAHXSSBKOOJFLN-INIZCTEOSA-N 1 1 258.365 3.211 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCOc2ccc(O)cc2C1 ZINC000595843350 347366705 /nfs/dbraw/zinc/36/67/05/347366705.db2.gz ABNVHGZDUWWXIV-UHFFFAOYSA-N 1 1 288.391 3.307 20 30 CGEDMO CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1ccc(C#N)cc1 ZINC000595858535 347368171 /nfs/dbraw/zinc/36/81/71/347368171.db2.gz XERYYIIZRNASII-VHRNVKJDSA-N 1 1 270.376 3.200 20 30 CGEDMO Cc1nsc(N[C@@H]2CC[N@H+](C3CCCCC3)C2)c1C#N ZINC000596479599 347465030 /nfs/dbraw/zinc/46/50/30/347465030.db2.gz NVCIQUZCGBMJEO-GFCCVEGCSA-N 1 1 290.436 3.142 20 30 CGEDMO C[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000597175671 347544193 /nfs/dbraw/zinc/54/41/93/347544193.db2.gz CUINGCXHNALVEP-RDJZCZTQSA-N 1 1 256.393 3.491 20 30 CGEDMO CCOc1cccc(C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000597174639 347544319 /nfs/dbraw/zinc/54/43/19/347544319.db2.gz SJKSOXCGBYULMK-CQSZACIVSA-N 1 1 258.365 3.211 20 30 CGEDMO CCOCC[N@@H+](CC)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596995065 347525500 /nfs/dbraw/zinc/52/55/00/347525500.db2.gz GORMIXKVNZTZEX-UHFFFAOYSA-N 1 1 272.392 3.100 20 30 CGEDMO C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@H](CO)C(C)(C)C ZINC000597025300 347528600 /nfs/dbraw/zinc/52/86/00/347528600.db2.gz BRUXYXCRMQGDRF-MRXNPFEDSA-N 1 1 286.419 3.081 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)CC1 ZINC000597120437 347537091 /nfs/dbraw/zinc/53/70/91/347537091.db2.gz DVURGRPPKUBEHT-UHFFFAOYSA-N 1 1 297.333 3.406 20 30 CGEDMO COC[C@@H]1CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597144120 347540117 /nfs/dbraw/zinc/54/01/17/347540117.db2.gz DUPZLUJRWQJNPT-QGZVFWFLSA-N 1 1 298.430 3.490 20 30 CGEDMO N#CC[C@@]1(O)CC[N@@H+](Cc2cccc(C3CCCC3)c2)C1 ZINC000597156216 347541745 /nfs/dbraw/zinc/54/17/45/347541745.db2.gz LNQFEKJIBXRBDT-GOSISDBHSA-N 1 1 284.403 3.195 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000597173339 347543598 /nfs/dbraw/zinc/54/35/98/347543598.db2.gz JBUDIFHGWDKNOA-CQSZACIVSA-N 1 1 298.365 3.137 20 30 CGEDMO CC(C)CCOc1ccc(C[NH+]2CC(CC#N)C2)cc1 ZINC000597191763 347548042 /nfs/dbraw/zinc/54/80/42/347548042.db2.gz GSRAYNLCGACYAG-UHFFFAOYSA-N 1 1 272.392 3.457 20 30 CGEDMO C[N@@H+](Cc1c(F)cccc1Cl)C[C@@H](O)CC(C)(C)C#N ZINC000598584117 347666320 /nfs/dbraw/zinc/66/63/20/347666320.db2.gz JGBSTNCBYKEZJH-NSHDSACASA-N 1 1 298.789 3.212 20 30 CGEDMO C[N@H+](Cc1c(F)cccc1Cl)C[C@@H](O)CC(C)(C)C#N ZINC000598584117 347666324 /nfs/dbraw/zinc/66/63/24/347666324.db2.gz JGBSTNCBYKEZJH-NSHDSACASA-N 1 1 298.789 3.212 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@@H+](CC1CC1)C1CCCCC1 ZINC000598588474 347667451 /nfs/dbraw/zinc/66/74/51/347667451.db2.gz AMMIJDKBFAZERZ-INIZCTEOSA-N 1 1 278.440 3.332 20 30 CGEDMO C[C@@H]1CC[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@@H](c2ccco2)C1 ZINC000598594317 347668267 /nfs/dbraw/zinc/66/82/67/347668267.db2.gz FROQVICJEVQFIS-RBSFLKMASA-N 1 1 290.407 3.353 20 30 CGEDMO CCC(CC)[N@@H+](CC(C)C)C[C@H](O)CC(C)(C)C#N ZINC000598595041 347668531 /nfs/dbraw/zinc/66/85/31/347668531.db2.gz LWJPWWSLIMSNOW-OAHLLOKOSA-N 1 1 268.445 3.434 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCc2ccccc2C1(C)C ZINC000598601759 347669861 /nfs/dbraw/zinc/66/98/61/347669861.db2.gz VWSZNAGXWZLDKE-HNNXBMFYSA-N 1 1 286.419 3.081 20 30 CGEDMO Cc1ccc(C)c(C[N@@H+](C)C[C@H](O)CC(C)(C)C#N)c1 ZINC000598607564 347670528 /nfs/dbraw/zinc/67/05/28/347670528.db2.gz AIWPTCONXYBZRJ-MRXNPFEDSA-N 1 1 274.408 3.036 20 30 CGEDMO CC1=C(c2ccco2)C[N@@H+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598616846 347671617 /nfs/dbraw/zinc/67/16/17/347671617.db2.gz ZKBOXOFLIMBAFO-CQSZACIVSA-N 1 1 288.391 3.060 20 30 CGEDMO COc1ccc(C[N@H+]2C[C@@H]3CCCC[C@@]32C)cc1C#N ZINC000599669953 347763496 /nfs/dbraw/zinc/76/34/96/347763496.db2.gz GVOLOFYUBACNHK-RDJZCZTQSA-N 1 1 270.376 3.331 20 30 CGEDMO COC(=O)c1cccc(C[N@@H+]2C[C@@H]3CCCC[C@@]32C)c1C#N ZINC000599670327 347763618 /nfs/dbraw/zinc/76/36/18/347763618.db2.gz INFVINLZOCUTSA-KSSFIOAISA-N 1 1 298.386 3.109 20 30 CGEDMO COC(=O)c1cccc(C[N@H+]2C[C@@H]3CCCC[C@@]32C)c1C#N ZINC000599670327 347763622 /nfs/dbraw/zinc/76/36/22/347763622.db2.gz INFVINLZOCUTSA-KSSFIOAISA-N 1 1 298.386 3.109 20 30 CGEDMO C[C@]12CCCC[C@H]1C[N@H+]2CCC(=O)Nc1ccccc1C#N ZINC000599675160 347763806 /nfs/dbraw/zinc/76/38/06/347763806.db2.gz PJXHHPSRKFQGGN-YJBOKZPZSA-N 1 1 297.402 3.151 20 30 CGEDMO CC1(C[N@H+]2CCc3c(CC#N)cccc3C2)CCC1 ZINC000599678478 347764749 /nfs/dbraw/zinc/76/47/49/347764749.db2.gz RHQQTKBKERCOJH-UHFFFAOYSA-N 1 1 254.377 3.301 20 30 CGEDMO CO[C@@H](C[N@H+]1CCc2c(CC#N)cccc2C1)C1CCCC1 ZINC000599679011 347764885 /nfs/dbraw/zinc/76/48/85/347764885.db2.gz VAWYZYUIHGQWIK-IBGZPJMESA-N 1 1 298.430 3.316 20 30 CGEDMO C/C=C\C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000599691182 347766947 /nfs/dbraw/zinc/76/69/47/347766947.db2.gz QXNLLTKTPLHESV-PYLYLYNFSA-N 1 1 255.365 3.131 20 30 CGEDMO C/C=C/C[C@H]1CCC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000599691181 347766978 /nfs/dbraw/zinc/76/69/78/347766978.db2.gz QXNLLTKTPLHESV-HSWBROFVSA-N 1 1 255.365 3.131 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCOc3cc(F)ccc3C2)cc1 ZINC000599704177 347768068 /nfs/dbraw/zinc/76/80/68/347768068.db2.gz PYHZMPXTTCFRBY-UHFFFAOYSA-N 1 1 296.345 3.134 20 30 CGEDMO C=CC[N@H+](CCCCC(=O)OC)Cc1ccccc1 ZINC000599259076 347729128 /nfs/dbraw/zinc/72/91/28/347729128.db2.gz KGDYXJWWJZTSTL-UHFFFAOYSA-N 1 1 261.365 3.018 20 30 CGEDMO CCO[C@@H](C[N@@H+](CCC#N)CCC(C)C)C1CC1 ZINC000599308669 347734552 /nfs/dbraw/zinc/73/45/52/347734552.db2.gz WLHXDCROQLHTKV-HNNXBMFYSA-N 1 1 252.402 3.063 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@H](OC(F)F)C2)cc1C#N ZINC000599357529 347738933 /nfs/dbraw/zinc/73/89/33/347738933.db2.gz RGPOPBRXFPTZRW-AWEZNQCLSA-N 1 1 280.318 3.070 20 30 CGEDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc(C)c(C#N)c2)CC1 ZINC000599391336 347741400 /nfs/dbraw/zinc/74/14/00/347741400.db2.gz XXFYIBKYLKWLOB-KRWDZBQOSA-N 1 1 272.392 3.258 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCSC[C@H](C)C2)cc1C#N ZINC000599384769 347741681 /nfs/dbraw/zinc/74/16/81/347741681.db2.gz SPJWHCUKHGFXGZ-GFCCVEGCSA-N 1 1 260.406 3.052 20 30 CGEDMO CCn1cc(C[N@@H+](Cc2ccc(C)c(C#N)c2)C(C)C)cn1 ZINC000599450762 347746128 /nfs/dbraw/zinc/74/61/28/347746128.db2.gz MELLBWFTYVUULH-UHFFFAOYSA-N 1 1 296.418 3.494 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)cc1C#N ZINC000599449957 347746180 /nfs/dbraw/zinc/74/61/80/347746180.db2.gz IAUBYSFNBNWBDW-FUHWJXTLSA-N 1 1 284.403 3.258 20 30 CGEDMO Cc1ccc(C[NH2+][C@@H](C)c2cscn2)cc1C#N ZINC000599465780 347747214 /nfs/dbraw/zinc/74/72/14/347747214.db2.gz RDOLVTYTRYGZTK-NSHDSACASA-N 1 1 257.362 3.174 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H](C)C1(F)F ZINC000599513735 347749150 /nfs/dbraw/zinc/74/91/50/347749150.db2.gz TUONWZJGJPPSDO-TXEJJXNPSA-N 1 1 264.319 3.281 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2F)C[C@H](C)C1(F)F ZINC000599514483 347749161 /nfs/dbraw/zinc/74/91/61/347749161.db2.gz JANSBDQMNSZAFZ-PHIMTYICSA-N 1 1 282.309 3.420 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2F)C[C@H](C)C1(F)F ZINC000599514483 347749164 /nfs/dbraw/zinc/74/91/64/347749164.db2.gz JANSBDQMNSZAFZ-PHIMTYICSA-N 1 1 282.309 3.420 20 30 CGEDMO C[C@@H]1C[N@H+](CCOc2cccc(C#N)c2)C[C@H](C)C1(F)F ZINC000599512776 347749321 /nfs/dbraw/zinc/74/93/21/347749321.db2.gz MQVHMJZIEVWQMD-BETUJISGSA-N 1 1 294.345 3.160 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000599526690 347750438 /nfs/dbraw/zinc/75/04/38/347750438.db2.gz PLBOGTDGXALYAT-JTQLQIEISA-N 1 1 252.339 3.054 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(F)cc2C(=O)OC)C1 ZINC000599526931 347750754 /nfs/dbraw/zinc/75/07/54/347750754.db2.gz XBBQSLFEPHVRQA-LBPRGKRZSA-N 1 1 277.339 3.010 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC000599552123 347753330 /nfs/dbraw/zinc/75/33/30/347753330.db2.gz FZLYOZLOJVUCCP-CABCVRRESA-N 1 1 258.390 3.028 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCCC(F)(F)CC2)s1 ZINC000599552125 347753804 /nfs/dbraw/zinc/75/38/04/347753804.db2.gz GAXQUHLXAARSQW-UHFFFAOYSA-N 1 1 256.321 3.241 20 30 CGEDMO C[C@H]1C[N@@H+](CCC(C)(C)C#N)CC[C@H]1C(=O)OC(C)(C)C ZINC000599580890 347755862 /nfs/dbraw/zinc/75/58/62/347755862.db2.gz HFDFXHOFZIBQLO-UONOGXRCSA-N 1 1 294.439 3.226 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](c3ccc(O)cc3)C2)c(F)c1 ZINC000600213410 347794297 /nfs/dbraw/zinc/79/42/97/347794297.db2.gz DPUZKDAXWSMVLD-OAHLLOKOSA-N 1 1 296.345 3.392 20 30 CGEDMO Cc1cc(C)c(C[S@@](=O)CCC(C)(C)C#N)c(C)[nH+]1 ZINC000600936289 347848369 /nfs/dbraw/zinc/84/83/69/347848369.db2.gz VELUVZFLQQTVDL-IBGZPJMESA-N 1 1 278.421 3.195 20 30 CGEDMO N#CC1(C[C@H](O)C[N@H+]2CC3(CCC3)[C@H]2c2ccccc2)CC1 ZINC000601957931 347929194 /nfs/dbraw/zinc/92/91/94/347929194.db2.gz KICJXEDINLMTST-DLBZAZTESA-N 1 1 296.414 3.268 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000602439739 347958219 /nfs/dbraw/zinc/95/82/19/347958219.db2.gz MNCFSWPBZUAMID-ZDUSSCGKSA-N 1 1 287.363 3.499 20 30 CGEDMO CC[N@@H+](Cc1ccc(=O)[nH]c1)[C@H](C)c1ccc(C#N)cc1 ZINC000602444795 347958878 /nfs/dbraw/zinc/95/88/78/347958878.db2.gz QEDMOFFAGVMNNA-CYBMUJFWSA-N 1 1 281.359 3.242 20 30 CGEDMO C=CC[N@H+](CCC[C@H]1CCO1)Cc1cccc([N+](=O)[O-])c1 ZINC000602452200 347960384 /nfs/dbraw/zinc/96/03/84/347960384.db2.gz HNURBBWBRYSXCZ-INIZCTEOSA-N 1 1 290.363 3.152 20 30 CGEDMO C[C@@H](c1ccco1)[N@H+](Cc1cccc(C#N)n1)C1CC1 ZINC000602456223 347960912 /nfs/dbraw/zinc/96/09/12/347960912.db2.gz VQAFCGHKJDRGPS-LBPRGKRZSA-N 1 1 267.332 3.272 20 30 CGEDMO C[C@@H](c1ccco1)[N@@H+](Cc1cccc(C#N)n1)C1CC1 ZINC000602456223 347960913 /nfs/dbraw/zinc/96/09/13/347960913.db2.gz VQAFCGHKJDRGPS-LBPRGKRZSA-N 1 1 267.332 3.272 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000602472844 347964100 /nfs/dbraw/zinc/96/41/00/347964100.db2.gz CRWZNDCKNLEXHU-GOEBONIOSA-N 1 1 264.413 3.350 20 30 CGEDMO Cc1ccccc1[C@H]1C[N@@H+](C[C@H](C)CCC#N)CCO1 ZINC000602474461 347964521 /nfs/dbraw/zinc/96/45/21/347964521.db2.gz PDYXFPANTOIDCS-RHSMWYFYSA-N 1 1 272.392 3.308 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCS[C@@H](c3ccccc3)C2)n1 ZINC000602474513 347965082 /nfs/dbraw/zinc/96/50/82/347965082.db2.gz XLNVCRYMSWBTEE-QGZVFWFLSA-N 1 1 295.411 3.243 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCS[C@@H](c3ccccc3)C2)n1 ZINC000602474513 347965084 /nfs/dbraw/zinc/96/50/84/347965084.db2.gz XLNVCRYMSWBTEE-QGZVFWFLSA-N 1 1 295.411 3.243 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000602480115 347966444 /nfs/dbraw/zinc/96/64/44/347966444.db2.gz SYICQVHKCHOJSD-NFAWXSAZSA-N 1 1 278.421 3.450 20 30 CGEDMO N#CCC[C@@H]([NH2+]Cc1ccns1)c1ccccc1 ZINC000602581253 347987931 /nfs/dbraw/zinc/98/79/31/347987931.db2.gz JASPRHVIIQJAGU-CQSZACIVSA-N 1 1 257.362 3.278 20 30 CGEDMO Cc1ccccc1C[C@@H](C)[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602636542 347997801 /nfs/dbraw/zinc/99/78/01/347997801.db2.gz IKWCWDRFDGQQFY-OAHLLOKOSA-N 1 1 279.387 3.325 20 30 CGEDMO N#CC1(CN[C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000602644642 347999943 /nfs/dbraw/zinc/99/99/43/347999943.db2.gz ZSOWPNNLRSLJRV-AEFFLSMTSA-N 1 1 295.430 3.248 20 30 CGEDMO CC[N@@H+](CC1(CC#N)CC1)[C@H](C)c1cccc(O)c1 ZINC000602781439 348028553 /nfs/dbraw/zinc/02/85/53/348028553.db2.gz XVMVXKBEZSPIKN-CYBMUJFWSA-N 1 1 258.365 3.469 20 30 CGEDMO C[C@@H](CCC#N)C[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000602647365 348000631 /nfs/dbraw/zinc/00/06/31/348000631.db2.gz HLFORUATYXJCRE-WMZOPIPTSA-N 1 1 285.435 3.038 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000602673162 348005917 /nfs/dbraw/zinc/00/59/17/348005917.db2.gz OXSQQMACLCPEOK-CABCVRRESA-N 1 1 289.398 3.276 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H](C)CCC#N ZINC000602691041 348009636 /nfs/dbraw/zinc/00/96/36/348009636.db2.gz BDTBTVOCEAQUCK-UONOGXRCSA-N 1 1 255.365 3.491 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+]([C@@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000602695239 348011092 /nfs/dbraw/zinc/01/10/92/348011092.db2.gz MOPNWCBBUOQBPA-STQMWFEESA-N 1 1 280.412 3.121 20 30 CGEDMO CCOC(=O)[C@@H]([NH2+]C[C@H](C)CCC#N)C1CCCCCC1 ZINC000602706115 348013591 /nfs/dbraw/zinc/01/35/91/348013591.db2.gz ATDYJNCCHWOVQL-ZBFHGGJFSA-N 1 1 294.439 3.418 20 30 CGEDMO N#CCC1(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)CC1 ZINC000602786250 348029639 /nfs/dbraw/zinc/02/96/39/348029639.db2.gz FEBGQQWXSYNCLV-CHWSQXEVSA-N 1 1 250.411 3.040 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC[C@H](O)C[C@H]1c1ccccc1 ZINC000602730329 348020431 /nfs/dbraw/zinc/02/04/31/348020431.db2.gz FLFVCIYUPRTZDZ-PVAVHDDUSA-N 1 1 272.392 3.124 20 30 CGEDMO N#Cc1ccccc1C[NH+]1CCC(Cc2nccs2)CC1 ZINC000602733159 348021172 /nfs/dbraw/zinc/02/11/72/348021172.db2.gz JULBNYPJQYMMQQ-UHFFFAOYSA-N 1 1 297.427 3.469 20 30 CGEDMO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1CC1(CC#N)CC1 ZINC000602772810 348026206 /nfs/dbraw/zinc/02/62/06/348026206.db2.gz KPTNYFMWZXJDTJ-ZBFHGGJFSA-N 1 1 270.376 3.142 20 30 CGEDMO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1CC1(CC#N)CC1 ZINC000602772810 348026209 /nfs/dbraw/zinc/02/62/09/348026209.db2.gz KPTNYFMWZXJDTJ-ZBFHGGJFSA-N 1 1 270.376 3.142 20 30 CGEDMO N#CCC1(C[N@H+]2CC[C@@H](COc3ccccc3)C2)CC1 ZINC000602806644 348032265 /nfs/dbraw/zinc/03/22/65/348032265.db2.gz NSYYPRCMLMGILT-OAHLLOKOSA-N 1 1 270.376 3.081 20 30 CGEDMO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1cnc(C)s1 ZINC000602956902 348046938 /nfs/dbraw/zinc/04/69/38/348046938.db2.gz PFLHYOQJLFLNJW-SNVBAGLBSA-N 1 1 287.388 3.183 20 30 CGEDMO COc1cc(C#N)ccc1C[NH2+][C@@H](C)c1cnc(C)s1 ZINC000602956901 348047118 /nfs/dbraw/zinc/04/71/18/348047118.db2.gz PFLHYOQJLFLNJW-JTQLQIEISA-N 1 1 287.388 3.183 20 30 CGEDMO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1cnc(C)s1 ZINC000602957389 348047704 /nfs/dbraw/zinc/04/77/04/348047704.db2.gz SJWSQUXGRWHOEJ-JTQLQIEISA-N 1 1 287.388 3.183 20 30 CGEDMO CCOc1ccc(OCC[N@H+](C)[C@H]2CCC[C@@H]2C#N)cc1 ZINC000602974893 348048639 /nfs/dbraw/zinc/04/86/39/348048639.db2.gz VPEUCMBLKCFACV-PBHICJAKSA-N 1 1 288.391 3.088 20 30 CGEDMO CCOc1ccc(OCC[N@@H+](C)[C@H]2CCC[C@@H]2C#N)cc1 ZINC000602974893 348048640 /nfs/dbraw/zinc/04/86/40/348048640.db2.gz VPEUCMBLKCFACV-PBHICJAKSA-N 1 1 288.391 3.088 20 30 CGEDMO C[N@H+](Cc1cc(F)cc2cccnc21)[C@@H]1CCC[C@H]1C#N ZINC000602977231 348049407 /nfs/dbraw/zinc/04/94/07/348049407.db2.gz ZIGPSMKNEYPPAY-XJKSGUPXSA-N 1 1 283.350 3.498 20 30 CGEDMO C[N@@H+](Cc1cc(F)cc2cccnc21)[C@@H]1CCC[C@H]1C#N ZINC000602977231 348049408 /nfs/dbraw/zinc/04/94/08/348049408.db2.gz ZIGPSMKNEYPPAY-XJKSGUPXSA-N 1 1 283.350 3.498 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](C3CCC3)CC2)nc1 ZINC000603000057 348053584 /nfs/dbraw/zinc/05/35/84/348053584.db2.gz SUTTVAYROOJSCI-MRXNPFEDSA-N 1 1 269.392 3.355 20 30 CGEDMO CC(C)(C)[C@@H]1CCC[N@H+]1CCOc1ccccc1C#N ZINC000609195441 348339512 /nfs/dbraw/zinc/33/95/12/348339512.db2.gz UKVBERJYVDVJAG-INIZCTEOSA-N 1 1 272.392 3.448 20 30 CGEDMO N#Cc1cccc(OCC[N@H+]2CCCc3sccc3C2)c1 ZINC000609323446 348342144 /nfs/dbraw/zinc/34/21/44/348342144.db2.gz MDNYNIVVZAFBDW-UHFFFAOYSA-N 1 1 298.411 3.447 20 30 CGEDMO CC[N@H+](Cc1ccccc1C(C)(C)C#N)C[C@@H]1CCOC1 ZINC000610859527 348407135 /nfs/dbraw/zinc/40/71/35/348407135.db2.gz HBGRCVRMLMRORY-HNNXBMFYSA-N 1 1 286.419 3.346 20 30 CGEDMO COc1c(C)cc(C[N@@H+](C)Cc2ccnc(C#N)c2)cc1C ZINC000610992338 348415420 /nfs/dbraw/zinc/41/54/20/348415420.db2.gz WFRGBCKRVYDQMX-UHFFFAOYSA-N 1 1 295.386 3.211 20 30 CGEDMO COc1ccc([C@@H](C)[N@@H+](C)Cc2ccnc(C#N)c2)cc1 ZINC000610995270 348417407 /nfs/dbraw/zinc/41/74/07/348417407.db2.gz DEUNPFRFTRMTAT-CYBMUJFWSA-N 1 1 281.359 3.155 20 30 CGEDMO N#CCCCC[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000610604696 348392765 /nfs/dbraw/zinc/39/27/65/348392765.db2.gz HAAJXRCVWHAPOB-DTORHVGOSA-N 1 1 288.235 3.353 20 30 CGEDMO Cc1ccncc1[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000611293193 348436142 /nfs/dbraw/zinc/43/61/42/348436142.db2.gz YMNMTMUEWRLUQV-LBPRGKRZSA-N 1 1 269.323 3.252 20 30 CGEDMO Cc1cc(C)cc(OCC[N@@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000611091318 348422359 /nfs/dbraw/zinc/42/23/59/348422359.db2.gz UJZBJLSQQXQFHP-HNNXBMFYSA-N 1 1 272.392 3.306 20 30 CGEDMO Cc1cc(C)cc(OCC[N@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000611091318 348422362 /nfs/dbraw/zinc/42/23/62/348422362.db2.gz UJZBJLSQQXQFHP-HNNXBMFYSA-N 1 1 272.392 3.306 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@H]2NCCC[NH+]1CCCCC1 ZINC000611390378 348444374 /nfs/dbraw/zinc/44/43/74/348444374.db2.gz WVKQNAWVLOMNST-LJQANCHMSA-N 1 1 297.446 3.401 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCCN1CCCCC1 ZINC000611390378 348444380 /nfs/dbraw/zinc/44/43/80/348444380.db2.gz WVKQNAWVLOMNST-LJQANCHMSA-N 1 1 297.446 3.401 20 30 CGEDMO Cc1cc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)on1 ZINC000611392289 348445288 /nfs/dbraw/zinc/44/52/88/348445288.db2.gz PTJMRHQVMHFJAO-INIZCTEOSA-N 1 1 267.332 3.022 20 30 CGEDMO C[C@@]1(C#N)CCC[N@H+](CCCOc2ccc(F)cc2)C1 ZINC000612167867 348499259 /nfs/dbraw/zinc/49/92/59/348499259.db2.gz XYKVMJCMWVEGMO-INIZCTEOSA-N 1 1 276.355 3.220 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](CCCOc2ccc(F)cc2)C1 ZINC000612167867 348499261 /nfs/dbraw/zinc/49/92/61/348499261.db2.gz XYKVMJCMWVEGMO-INIZCTEOSA-N 1 1 276.355 3.220 20 30 CGEDMO Cc1nnc([C@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)s1 ZINC000612829050 348549110 /nfs/dbraw/zinc/54/91/10/348549110.db2.gz JAJHEYHPHQSUTA-BONVTDFDSA-N 1 1 298.415 3.446 20 30 CGEDMO Cc1nnc([C@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)s1 ZINC000612829054 348549173 /nfs/dbraw/zinc/54/91/73/348549173.db2.gz JAJHEYHPHQSUTA-ZUZCIYMTSA-N 1 1 298.415 3.446 20 30 CGEDMO C[C@@]1(C#N)CCC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000612406555 348517648 /nfs/dbraw/zinc/51/76/48/348517648.db2.gz PSSRSBBGKRUFDU-KRWDZBQOSA-N 1 1 265.360 3.360 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000612406555 348517649 /nfs/dbraw/zinc/51/76/49/348517649.db2.gz PSSRSBBGKRUFDU-KRWDZBQOSA-N 1 1 265.360 3.360 20 30 CGEDMO CC(C)(C#N)CN[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000612588225 348531787 /nfs/dbraw/zinc/53/17/87/348531787.db2.gz SSQBIYZJBOPWEZ-INIZCTEOSA-N 1 1 285.435 3.179 20 30 CGEDMO CC(C)(C#N)C[NH2+][C@@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000612588225 348531790 /nfs/dbraw/zinc/53/17/90/348531790.db2.gz SSQBIYZJBOPWEZ-INIZCTEOSA-N 1 1 285.435 3.179 20 30 CGEDMO C[C@H]1C[C@H]([NH+](C)Cc2ccc(C(C)(C)C#N)cc2)CC[N@@H+]1C ZINC000614169793 348654318 /nfs/dbraw/zinc/65/43/18/348654318.db2.gz VLVGHKVWSJOHPK-MAUKXSAKSA-N 1 1 299.462 3.402 20 30 CGEDMO C[C@H]1C[C@H]([NH+](C)Cc2ccc(C(C)(C)C#N)cc2)CC[N@H+]1C ZINC000614169793 348654320 /nfs/dbraw/zinc/65/43/20/348654320.db2.gz VLVGHKVWSJOHPK-MAUKXSAKSA-N 1 1 299.462 3.402 20 30 CGEDMO C[C@H]1C[C@H](N(C)Cc2ccc(C(C)(C)C#N)cc2)CC[N@@H+]1C ZINC000614169793 348654324 /nfs/dbraw/zinc/65/43/24/348654324.db2.gz VLVGHKVWSJOHPK-MAUKXSAKSA-N 1 1 299.462 3.402 20 30 CGEDMO C[C@H]1C[C@H](N(C)Cc2ccc(C(C)(C)C#N)cc2)CC[N@H+]1C ZINC000614169793 348654326 /nfs/dbraw/zinc/65/43/26/348654326.db2.gz VLVGHKVWSJOHPK-MAUKXSAKSA-N 1 1 299.462 3.402 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCOCC23CCC3)cc1 ZINC000614176169 348654873 /nfs/dbraw/zinc/65/48/73/348654873.db2.gz OASTYSCKLPWFKT-UHFFFAOYSA-N 1 1 284.403 3.243 20 30 CGEDMO Cn1cccc1C[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614174535 348654897 /nfs/dbraw/zinc/65/48/97/348654897.db2.gz XACVMZXNUQBKQL-UHFFFAOYSA-N 1 1 281.403 3.458 20 30 CGEDMO CCC[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000614177556 348655301 /nfs/dbraw/zinc/65/53/01/348655301.db2.gz XWDCOSFNJLUTRP-QGZVFWFLSA-N 1 1 286.419 3.489 20 30 CGEDMO CCC[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000614177556 348655303 /nfs/dbraw/zinc/65/53/03/348655303.db2.gz XWDCOSFNJLUTRP-QGZVFWFLSA-N 1 1 286.419 3.489 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000614176165 348655394 /nfs/dbraw/zinc/65/53/94/348655394.db2.gz NXHQMACGLBAVSO-IRXDYDNUSA-N 1 1 298.430 3.346 20 30 CGEDMO CC[N@H+]1CCN(c2cc(C#N)ccc2C(F)(F)F)C[C@H]1C ZINC000613886240 348638263 /nfs/dbraw/zinc/63/82/63/348638263.db2.gz UUBYZZGEYSFXSE-LLVKDONJSA-N 1 1 297.324 3.107 20 30 CGEDMO COCC[N@@H+](CCC#N)[C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000615113819 348715279 /nfs/dbraw/zinc/71/52/79/348715279.db2.gz XYZMUSQXQKZWGN-ZWKOTPCHSA-N 1 1 286.419 3.359 20 30 CGEDMO C=CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000617781940 349010625 /nfs/dbraw/zinc/01/06/25/349010625.db2.gz VVJXYKACEHLESC-WBVHZDCISA-N 1 1 290.451 3.208 20 30 CGEDMO COC(=O)c1coc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)c1 ZINC000618569892 349107972 /nfs/dbraw/zinc/10/79/72/349107972.db2.gz DZKNVIGBKHVBQS-VXGBXAGGSA-N 1 1 298.342 3.350 20 30 CGEDMO CC(C)(C#N)CCCC[N@@H+](CCO)CCc1ccccc1 ZINC000618282004 349066324 /nfs/dbraw/zinc/06/63/24/349066324.db2.gz OGBLTKPHEFTBAH-UHFFFAOYSA-N 1 1 288.435 3.243 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000618666238 349136450 /nfs/dbraw/zinc/13/64/50/349136450.db2.gz XKMHJLGVDHMJKQ-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO CCCN1CCC([NH2+][C@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618805388 349156991 /nfs/dbraw/zinc/15/69/91/349156991.db2.gz NYYXGEXDFDCUCL-SFHVURJKSA-N 1 1 283.419 3.010 20 30 CGEDMO CN(c1ccccc1)c1ccc(C[NH2+]CC(C)(C)C#N)cn1 ZINC000619560610 349259866 /nfs/dbraw/zinc/25/98/66/349259866.db2.gz KCDXBSMHBKADOI-UHFFFAOYSA-N 1 1 294.402 3.489 20 30 CGEDMO N#CC1(CCC[N@H+]2CCC[C@@H]2c2ccccn2)CCOCC1 ZINC000619620729 349262774 /nfs/dbraw/zinc/26/27/74/349262774.db2.gz QEQRJOMFBXIQEF-QGZVFWFLSA-N 1 1 299.418 3.319 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCCC[C@H]1c1ccnn1C ZINC000619622759 349263767 /nfs/dbraw/zinc/26/37/67/349263767.db2.gz FGZQURYAOKIGAV-SFHVURJKSA-N 1 1 294.402 3.327 20 30 CGEDMO CC[N@H+]1CC[C@@H](NCc2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000619755565 349282687 /nfs/dbraw/zinc/28/26/87/349282687.db2.gz ZRYAYFFEUVKADC-MLGOLLRUSA-N 1 1 291.826 3.032 20 30 CGEDMO CCN1CC[C@@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)[C@H](C)C1 ZINC000619755565 349282690 /nfs/dbraw/zinc/28/26/90/349282690.db2.gz ZRYAYFFEUVKADC-MLGOLLRUSA-N 1 1 291.826 3.032 20 30 CGEDMO C=CCC(CC=C)C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000620770894 349422280 /nfs/dbraw/zinc/42/22/80/349422280.db2.gz FIYAJIBLIPVUGU-GOSISDBHSA-N 1 1 298.430 3.146 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C)cc2Cl)C1 ZINC000625701066 350198367 /nfs/dbraw/zinc/19/83/67/350198367.db2.gz OADTZIGMZXBDDF-CYBMUJFWSA-N 1 1 292.810 3.485 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C)cc2Cl)C1 ZINC000625701066 350198372 /nfs/dbraw/zinc/19/83/72/350198372.db2.gz OADTZIGMZXBDDF-CYBMUJFWSA-N 1 1 292.810 3.485 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](CCCCC2CCOCC2)C1 ZINC000625704460 350201016 /nfs/dbraw/zinc/20/10/16/350201016.db2.gz YBPXNDUSEIPQPL-MRXNPFEDSA-N 1 1 251.414 3.481 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC000625948449 350235287 /nfs/dbraw/zinc/23/52/87/350235287.db2.gz KGOUZOOVSDRWRP-AWEZNQCLSA-N 1 1 285.309 3.001 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC000625948449 350235288 /nfs/dbraw/zinc/23/52/88/350235288.db2.gz KGOUZOOVSDRWRP-AWEZNQCLSA-N 1 1 285.309 3.001 20 30 CGEDMO C=CCOCC[N@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000626008077 350245986 /nfs/dbraw/zinc/24/59/86/350245986.db2.gz HRWOHBZFJBHPRY-UHFFFAOYSA-N 1 1 285.309 3.266 20 30 CGEDMO CCC[N@@H+](Cc1cncs1)Cc1ccc(C#N)cc1 ZINC000119250748 370659283 /nfs/dbraw/zinc/65/92/83/370659283.db2.gz MBUWIUCISBHPMJ-UHFFFAOYSA-N 1 1 271.389 3.427 20 30 CGEDMO C=CCN(CC=C)[C@H](C[NH2+]Cc1oc(C)nc1C)C(C)C ZINC000628202014 350438541 /nfs/dbraw/zinc/43/85/41/350438541.db2.gz DYDSYKQWORMNRR-MRXNPFEDSA-N 1 1 291.439 3.080 20 30 CGEDMO C=CC[N@@H+](C)Cc1cccc(F)c1OCC(F)(F)F ZINC000628241091 350462013 /nfs/dbraw/zinc/46/20/13/350462013.db2.gz IFOPZIAEBLHBFD-UHFFFAOYSA-N 1 1 277.261 3.385 20 30 CGEDMO C=CC[N@H+](C)Cc1cccc(F)c1OCC(F)(F)F ZINC000628241091 350462015 /nfs/dbraw/zinc/46/20/15/350462015.db2.gz IFOPZIAEBLHBFD-UHFFFAOYSA-N 1 1 277.261 3.385 20 30 CGEDMO C=CC(C)(C)CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000628314784 350496487 /nfs/dbraw/zinc/49/64/87/350496487.db2.gz MVTTWLBFJGNBQT-HNNXBMFYSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cccc(OCCCOC)c2)C1 ZINC000628405320 350528274 /nfs/dbraw/zinc/52/82/74/350528274.db2.gz JFKLDMDBPDHMRI-INIZCTEOSA-N 1 1 289.419 3.500 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000628404959 350528389 /nfs/dbraw/zinc/52/83/89/350528389.db2.gz ACCWRWSWIGWMIT-AWEZNQCLSA-N 1 1 255.361 3.360 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000628406824 350529554 /nfs/dbraw/zinc/52/95/54/350529554.db2.gz RRKSUPGWPHROGW-HNNXBMFYSA-N 1 1 281.403 3.485 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000271387118 191111417 /nfs/dbraw/zinc/11/14/17/191111417.db2.gz LGBMXYGXIOSUJZ-AWEZNQCLSA-N 1 1 255.365 3.077 20 30 CGEDMO C=C(C)CN1CCC([NH2+]Cc2ccc(C)cc2F)CC1 ZINC000631065361 350941070 /nfs/dbraw/zinc/94/10/70/350941070.db2.gz UBPFUMTXFDBKAL-UHFFFAOYSA-N 1 1 276.399 3.264 20 30 CGEDMO N#Cc1cccc(C[N@@H+](Cc2ccncc2)C2CC2)c1 ZINC000122420978 187031284 /nfs/dbraw/zinc/03/12/84/187031284.db2.gz WCWRPKHGWQBLJV-UHFFFAOYSA-N 1 1 263.344 3.118 20 30 CGEDMO CSCC[C@H](C)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000122920387 187060216 /nfs/dbraw/zinc/06/02/16/187060216.db2.gz AXNWCJKZUXJGCW-ZDUSSCGKSA-N 1 1 265.397 3.251 20 30 CGEDMO CC(C)[N@@H+](C)CCNc1cc(C#N)ccc1C(F)(F)F ZINC000123414728 187090460 /nfs/dbraw/zinc/09/04/60/187090460.db2.gz ZKQUEWRUWZRGHQ-UHFFFAOYSA-N 1 1 285.313 3.329 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000368652172 234329916 /nfs/dbraw/zinc/32/99/16/234329916.db2.gz YLCYNOROYGAESB-HNNXBMFYSA-N 1 1 295.361 3.157 20 30 CGEDMO C=CC[N@@H+](C)Cc1cc(Br)c(OC)s1 ZINC000154771138 188160972 /nfs/dbraw/zinc/16/09/72/188160972.db2.gz WQSUCONHYYESHC-UHFFFAOYSA-N 1 1 276.199 3.137 20 30 CGEDMO C=CC[N@H+](C)Cc1cc(Br)c(OC)s1 ZINC000154771138 188160973 /nfs/dbraw/zinc/16/09/73/188160973.db2.gz WQSUCONHYYESHC-UHFFFAOYSA-N 1 1 276.199 3.137 20 30 CGEDMO C[N@@H+](CC#Cc1cccc(Cl)c1)CCc1nccs1 ZINC000157867132 188343106 /nfs/dbraw/zinc/34/31/06/188343106.db2.gz UHUFNTJXUPGJAI-UHFFFAOYSA-N 1 1 290.819 3.323 20 30 CGEDMO C[N@H+](CC#Cc1cccc(Cl)c1)CCc1nccs1 ZINC000157867132 188343107 /nfs/dbraw/zinc/34/31/07/188343107.db2.gz UHUFNTJXUPGJAI-UHFFFAOYSA-N 1 1 290.819 3.323 20 30 CGEDMO C=CCC[C@H]([NH2+]Cc1nonc1C)c1ccccc1 ZINC000271750137 191304878 /nfs/dbraw/zinc/30/48/78/191304878.db2.gz SEDARMABDHSAIF-AWEZNQCLSA-N 1 1 257.337 3.175 20 30 CGEDMO N#CC1(CC[N@H+]2CCC3(C2)CCOCC3)CCCCC1 ZINC000334567086 283044651 /nfs/dbraw/zinc/04/46/51/283044651.db2.gz XHLPACMYGWZCTK-UHFFFAOYSA-N 1 1 276.424 3.353 20 30 CGEDMO N#CCc1ccc(C[N@@H+](Cc2ccccn2)C2CC2)cc1 ZINC000343746117 283054771 /nfs/dbraw/zinc/05/47/71/283054771.db2.gz WTGFSHISIYTLBZ-UHFFFAOYSA-N 1 1 277.371 3.312 20 30 CGEDMO N#Cc1c(Cl)cccc1N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000336197830 283072976 /nfs/dbraw/zinc/07/29/76/283072976.db2.gz YQCXYWMVIRPFLF-UHFFFAOYSA-N 1 1 286.766 3.319 20 30 CGEDMO CC[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000173486700 188856284 /nfs/dbraw/zinc/85/62/84/188856284.db2.gz OZKUQODMFPQSFP-CYBMUJFWSA-N 1 1 296.374 3.230 20 30 CGEDMO N#Cc1ccc(Br)c(C[N@H+]2C[C@H]3CC[C@@H]2C3)c1 ZINC000191777445 283123256 /nfs/dbraw/zinc/12/32/56/283123256.db2.gz LSDGNHOBRAQSBQ-WCQYABFASA-N 1 1 291.192 3.305 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@H]2COc3ccc(Cl)cc32)cc1 ZINC000336603840 283148547 /nfs/dbraw/zinc/14/85/47/283148547.db2.gz ILJOLLPZMFPIIM-HNNXBMFYSA-N 1 1 284.746 3.435 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000354471417 283196081 /nfs/dbraw/zinc/19/60/81/283196081.db2.gz ZJESKUYIZGRYRK-LSDHHAIUSA-N 1 1 264.413 3.350 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@H](Nc3ccccc3)C2)ccc1F ZINC000119789386 138366749 /nfs/dbraw/zinc/36/67/49/138366749.db2.gz BZLKOIYDLWFOKO-KRWDZBQOSA-N 1 1 295.361 3.384 20 30 CGEDMO C[C@@H]1CCC[C@H](C)C[N@H+]1CC(=O)Nc1sccc1C#N ZINC000125177945 138380162 /nfs/dbraw/zinc/38/01/62/138380162.db2.gz ARIJPNDVPZCBOE-NWDGAFQWSA-N 1 1 291.420 3.069 20 30 CGEDMO C[C@@H]1CCC[C@H](C)C[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000125177945 138380164 /nfs/dbraw/zinc/38/01/64/138380164.db2.gz ARIJPNDVPZCBOE-NWDGAFQWSA-N 1 1 291.420 3.069 20 30 CGEDMO N#Cc1csc(C[N@H+]2CC[C@H](C3CCCC3)C2)n1 ZINC000335504461 283247760 /nfs/dbraw/zinc/24/77/60/283247760.db2.gz TYGMUWCMZXBNSU-LBPRGKRZSA-N 1 1 261.394 3.027 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(C#N)c(F)c1 ZINC000191889669 138476025 /nfs/dbraw/zinc/47/60/25/138476025.db2.gz IEVUTCHYSUDOKI-UHFFFAOYSA-N 1 1 279.318 3.201 20 30 CGEDMO Cc1ccc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cn1 ZINC000425365267 236237764 /nfs/dbraw/zinc/23/77/64/236237764.db2.gz JQLLKGNDEWIYNQ-CQSZACIVSA-N 1 1 265.360 3.455 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C[C@@H]1C ZINC000336257608 213092930 /nfs/dbraw/zinc/09/29/30/213092930.db2.gz PLXXPINMAVWRTL-XHDPSFHLSA-N 1 1 278.783 3.068 20 30 CGEDMO CCn1ccnc1C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000341805489 216111982 /nfs/dbraw/zinc/11/19/82/216111982.db2.gz DLYKFRBNNCVORN-UHFFFAOYSA-N 1 1 296.418 3.433 20 30 CGEDMO CCn1ccnc1C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000341805489 216111983 /nfs/dbraw/zinc/11/19/83/216111983.db2.gz DLYKFRBNNCVORN-UHFFFAOYSA-N 1 1 296.418 3.433 20 30 CGEDMO C[C@@]12CC[N@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]1C2(F)F ZINC000298284745 200382677 /nfs/dbraw/zinc/38/26/77/200382677.db2.gz OSXMDYLAMDBAAR-UONOGXRCSA-N 1 1 280.293 3.174 20 30 CGEDMO C[C@@]12CC[N@@H+](Cc3ccc(F)c(C#N)c3)C[C@@H]1C2(F)F ZINC000298284745 200382679 /nfs/dbraw/zinc/38/26/79/200382679.db2.gz OSXMDYLAMDBAAR-UONOGXRCSA-N 1 1 280.293 3.174 20 30 CGEDMO CC[C@@](C)([NH2+]Cc1ccc(C#N)s1)c1nccs1 ZINC000176973776 189017958 /nfs/dbraw/zinc/01/79/58/189017958.db2.gz CIMJFKUWNUZWTP-CYBMUJFWSA-N 1 1 277.418 3.491 20 30 CGEDMO Cn1cc(C[N@H+](C)Cc2ccc(C#N)cc2)c(C(C)(C)C)n1 ZINC000179683144 189213492 /nfs/dbraw/zinc/21/34/92/189213492.db2.gz GUEZEFWUHHAMMX-UHFFFAOYSA-N 1 1 296.418 3.221 20 30 CGEDMO Cn1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)c(C(C)(C)C)n1 ZINC000179683144 189213493 /nfs/dbraw/zinc/21/34/93/189213493.db2.gz GUEZEFWUHHAMMX-UHFFFAOYSA-N 1 1 296.418 3.221 20 30 CGEDMO N#Cc1ccc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)o1 ZINC000180029179 189232944 /nfs/dbraw/zinc/23/29/44/189232944.db2.gz QOKMCWZSCCSJEY-UHFFFAOYSA-N 1 1 277.327 3.188 20 30 CGEDMO N#Cc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)o1 ZINC000180029179 189232945 /nfs/dbraw/zinc/23/29/45/189232945.db2.gz QOKMCWZSCCSJEY-UHFFFAOYSA-N 1 1 277.327 3.188 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H](CNc2ccc(Cl)c(C#N)n2)C1 ZINC000301529073 201049597 /nfs/dbraw/zinc/04/95/97/201049597.db2.gz ONHXOHZYCWZZBW-LBPRGKRZSA-N 1 1 292.814 3.139 20 30 CGEDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)Nc1ccc(Cl)c(C#N)n1 ZINC000301518184 201041999 /nfs/dbraw/zinc/04/19/99/201041999.db2.gz KKAYHRZTGZWOLD-RYUDHWBXSA-N 1 1 292.814 3.139 20 30 CGEDMO N#Cc1cccc(N2CCC[N@@H+](CC3CCCCC3)CC2)n1 ZINC000301864367 201238027 /nfs/dbraw/zinc/23/80/27/201238027.db2.gz UUCPOQLSGTVAJZ-UHFFFAOYSA-N 1 1 298.434 3.046 20 30 CGEDMO CC[N@@H+](c1ccc(Nc2ccc(C#N)nn2)cc1)C(C)C ZINC000301868974 201239029 /nfs/dbraw/zinc/23/90/29/201239029.db2.gz CJBOQPJFIJMNHU-UHFFFAOYSA-N 1 1 281.363 3.327 20 30 CGEDMO CC[N@H+](c1ccc(Nc2ccc(C#N)nn2)cc1)C(C)C ZINC000301868974 201239033 /nfs/dbraw/zinc/23/90/33/201239033.db2.gz CJBOQPJFIJMNHU-UHFFFAOYSA-N 1 1 281.363 3.327 20 30 CGEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1ccc(C#N)cc1 ZINC000302023445 201304924 /nfs/dbraw/zinc/30/49/24/201304924.db2.gz PAXNPPUFKPRJQE-OAHLLOKOSA-N 1 1 279.387 3.491 20 30 CGEDMO CCOc1ccccc1C[N@@H+](C)CCC(C)(C)C#N ZINC000119660384 370696448 /nfs/dbraw/zinc/69/64/48/370696448.db2.gz IOVFACRGDALTTR-UHFFFAOYSA-N 1 1 260.381 3.457 20 30 CGEDMO CC(C)CO[C@H]1CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000119906442 370722171 /nfs/dbraw/zinc/72/21/71/370722171.db2.gz ZJCJINVZMDEJNZ-AWEZNQCLSA-N 1 1 252.402 3.063 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+](C)Cc1ccc(C)o1 ZINC000120557667 370780687 /nfs/dbraw/zinc/78/06/87/370780687.db2.gz CJGXGUOLBMBNMA-UHFFFAOYSA-N 1 1 270.332 3.100 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)Cc1ccc(C)o1 ZINC000120557667 370780692 /nfs/dbraw/zinc/78/06/92/370780692.db2.gz CJGXGUOLBMBNMA-UHFFFAOYSA-N 1 1 270.332 3.100 20 30 CGEDMO C[C@@]12C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451368962 240284125 /nfs/dbraw/zinc/28/41/25/240284125.db2.gz MUSHTZJSJSDRHC-VKZRIFJHSA-N 1 1 282.362 3.341 20 30 CGEDMO COc1cccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)n1 ZINC000451380490 240290047 /nfs/dbraw/zinc/29/00/47/240290047.db2.gz CGPNFMZNCDTMHC-ZDUSSCGKSA-N 1 1 281.359 3.155 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCSC[C@@H]2C2CC2)cc1F ZINC000451654521 240342428 /nfs/dbraw/zinc/34/24/28/240342428.db2.gz OOONNSJUTRDMNV-OAHLLOKOSA-N 1 1 276.380 3.025 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)cc1OC)[C@@H](C)C(C)C ZINC000120718663 370793419 /nfs/dbraw/zinc/79/34/19/370793419.db2.gz NIPWBPLMQIANJB-ZDUSSCGKSA-N 1 1 260.381 3.433 20 30 CGEDMO C=CCCOCC[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000120875763 370809236 /nfs/dbraw/zinc/80/92/36/370809236.db2.gz GVGVUTVPBBMZHT-UHFFFAOYSA-N 1 1 268.426 3.123 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000120882115 370810601 /nfs/dbraw/zinc/81/06/01/370810601.db2.gz ZQOQFRGVQUSDPB-GXTWGEPZSA-N 1 1 251.395 3.476 20 30 CGEDMO CCOC[C@H]1CCCC[N@H+]1Cc1cc(C#N)cs1 ZINC000459670955 242171509 /nfs/dbraw/zinc/17/15/09/242171509.db2.gz GFPQJYJRQPMGDO-CYBMUJFWSA-N 1 1 264.394 3.011 20 30 CGEDMO CC(C)c1nnc([C@H](C)[NH2+][C@H]2CCc3ccc(C#N)cc32)[nH]1 ZINC000353271094 220001215 /nfs/dbraw/zinc/00/12/15/220001215.db2.gz XYOKIFMXDMPNHJ-NHYWBVRUSA-N 1 1 295.390 3.138 20 30 CGEDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1CC#Cc1ccccc1 ZINC000124302201 370923736 /nfs/dbraw/zinc/92/37/36/370923736.db2.gz YJBPCLOUDRIIGR-WMZOPIPTSA-N 1 1 271.404 3.054 20 30 CGEDMO N#CCCCOc1cccc(C[NH2+]Cc2ncccc2F)c1 ZINC000126291479 370944329 /nfs/dbraw/zinc/94/43/29/370944329.db2.gz DBYAXXWHSZGIMA-UHFFFAOYSA-N 1 1 299.349 3.193 20 30 CGEDMO CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)C1CCCCC1 ZINC000019846876 368773049 /nfs/dbraw/zinc/77/30/49/368773049.db2.gz SOEVCMOVEBNQEB-UHFFFAOYSA-N 1 1 285.391 3.151 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2cc(F)ccc2F)cc1 ZINC000037748388 369102820 /nfs/dbraw/zinc/10/28/20/369102820.db2.gz BUNRHXJTFTZPEK-UHFFFAOYSA-N 1 1 258.271 3.126 20 30 CGEDMO C[C@H]1CCCC[C@H]1[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000042253286 369207116 /nfs/dbraw/zinc/20/71/16/369207116.db2.gz PYVLHQGEZBSLFE-WMLDXEAASA-N 1 1 272.392 3.448 20 30 CGEDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000042253282 369207992 /nfs/dbraw/zinc/20/79/92/369207992.db2.gz PYVLHQGEZBSLFE-RHSMWYFYSA-N 1 1 272.392 3.448 20 30 CGEDMO CCC[N@@H+](C)Cc1ccc(OC)c(OCCCC#N)c1 ZINC000127568891 370954983 /nfs/dbraw/zinc/95/49/83/370954983.db2.gz MOTBIWATVTVAJQ-UHFFFAOYSA-N 1 1 276.380 3.220 20 30 CGEDMO C[N@H+]1CCC[C@H]2CN(c3ccc(C#N)c(Cl)c3)CC[C@@H]21 ZINC000129091632 370974471 /nfs/dbraw/zinc/97/44/71/370974471.db2.gz GPIBVLDORYSOLE-BBRMVZONSA-N 1 1 289.810 3.132 20 30 CGEDMO C[C@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000055386537 369516460 /nfs/dbraw/zinc/51/64/60/369516460.db2.gz UIGIHLFPKPHJDB-BBRMVZONSA-N 1 1 285.391 3.007 20 30 CGEDMO C=CC[N@H+](CCc1cnn(CC)c1)Cc1ccccc1 ZINC000276354127 193297663 /nfs/dbraw/zinc/29/76/63/193297663.db2.gz XBJFVLQGPAQPMF-UHFFFAOYSA-N 1 1 269.392 3.134 20 30 CGEDMO C=CC[N@@H+](CCc1ccccn1)Cc1cccs1 ZINC000060942695 369594451 /nfs/dbraw/zinc/59/44/51/369594451.db2.gz KPTVEMMSSIVYDX-UHFFFAOYSA-N 1 1 258.390 3.374 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C)cc1C ZINC000276483103 193349554 /nfs/dbraw/zinc/34/95/54/193349554.db2.gz TUKOURIJJOEFAH-CQSZACIVSA-N 1 1 260.381 3.138 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(F)cc1 ZINC000073617518 369862106 /nfs/dbraw/zinc/86/21/06/369862106.db2.gz HANGYBHYEQCDIM-CQSZACIVSA-N 1 1 292.398 3.071 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(F)cc1 ZINC000073617518 369862108 /nfs/dbraw/zinc/86/21/08/369862108.db2.gz HANGYBHYEQCDIM-CQSZACIVSA-N 1 1 292.398 3.071 20 30 CGEDMO C=CCCC[N@@H+](C)Cc1nc([C@H](C)OCC(C)C)no1 ZINC000080629030 369991814 /nfs/dbraw/zinc/99/18/14/369991814.db2.gz IVABEMSWYRFGJB-ZDUSSCGKSA-N 1 1 281.400 3.201 20 30 CGEDMO C=CCCC[N@H+](C)Cc1nc([C@H](C)OCC(C)C)no1 ZINC000080629030 369991818 /nfs/dbraw/zinc/99/18/18/369991818.db2.gz IVABEMSWYRFGJB-ZDUSSCGKSA-N 1 1 281.400 3.201 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCS(=O)(=O)c1ccc(C)cc1 ZINC000091536459 370074654 /nfs/dbraw/zinc/07/46/54/370074654.db2.gz DRGALENTYGWRIQ-UHFFFAOYSA-N 1 1 295.448 3.057 20 30 CGEDMO CCCOc1cc(C[N@H+](CC)C[C@H](C)C#N)ccc1OC ZINC000091983689 370085513 /nfs/dbraw/zinc/08/55/13/370085513.db2.gz XIHIGPMAMJZPGC-CQSZACIVSA-N 1 1 290.407 3.466 20 30 CGEDMO CCCOc1cc(C[N@@H+](CC)C[C@H](C)C#N)ccc1OC ZINC000091983689 370085518 /nfs/dbraw/zinc/08/55/18/370085518.db2.gz XIHIGPMAMJZPGC-CQSZACIVSA-N 1 1 290.407 3.466 20 30 CGEDMO CC[N@@H+](Cc1c[nH]nc1-c1ccccc1F)C[C@H](C)C#N ZINC000091983270 370085592 /nfs/dbraw/zinc/08/55/92/370085592.db2.gz SOQIGPHTSPUPAJ-GFCCVEGCSA-N 1 1 286.354 3.197 20 30 CGEDMO CC[N@H+](Cc1c[nH]nc1-c1ccccc1F)C[C@H](C)C#N ZINC000091983270 370085596 /nfs/dbraw/zinc/08/55/96/370085596.db2.gz SOQIGPHTSPUPAJ-GFCCVEGCSA-N 1 1 286.354 3.197 20 30 CGEDMO C=CCNC(=O)C[N@@H+](C)[C@@H](c1ccccc1Cl)C(C)C ZINC000113256723 370468690 /nfs/dbraw/zinc/46/86/90/370468690.db2.gz UMOAXUDWBHRESO-MRXNPFEDSA-N 1 1 294.826 3.271 20 30 CGEDMO C=CCNC(=O)C[N@H+](C)[C@@H](c1ccccc1Cl)C(C)C ZINC000113256723 370468691 /nfs/dbraw/zinc/46/86/91/370468691.db2.gz UMOAXUDWBHRESO-MRXNPFEDSA-N 1 1 294.826 3.271 20 30 CGEDMO CC(C)[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000117348637 370589023 /nfs/dbraw/zinc/58/90/23/370589023.db2.gz HRAUIZLWEVEGQR-MRXNPFEDSA-N 1 1 285.391 3.007 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](C3CC3)C2)c(F)c1 ZINC000344000196 217011108 /nfs/dbraw/zinc/01/11/08/217011108.db2.gz XAZQZDPCSQDDAT-CQSZACIVSA-N 1 1 258.340 3.319 20 30 CGEDMO CC(C)C[C@@H]1CCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000130334544 371025780 /nfs/dbraw/zinc/02/57/80/371025780.db2.gz VZBNBDUCLXAPHC-INIZCTEOSA-N 1 1 285.391 3.007 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1c1ccc(OC)cc1OC ZINC000132394598 371172618 /nfs/dbraw/zinc/17/26/18/371172618.db2.gz FZQMFNQYOSNMLI-HNNXBMFYSA-N 1 1 261.365 3.417 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000132780239 371201904 /nfs/dbraw/zinc/20/19/04/371201904.db2.gz KFPKXPAYOIQPQE-AWEZNQCLSA-N 1 1 259.349 3.171 20 30 CGEDMO Cc1cccc(C(C)C)c1NC(=O)CO[NH+]=C(N)C(C)C ZINC000133651415 371269091 /nfs/dbraw/zinc/26/90/91/371269091.db2.gz WDAFDNYFVSHYEB-UHFFFAOYSA-N 1 1 291.395 3.002 20 30 CGEDMO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1nc2c(s1)CCC2 ZINC000134733933 371361120 /nfs/dbraw/zinc/36/11/20/371361120.db2.gz VFLAPQFKFRXJMP-NSHDSACASA-N 1 1 283.400 3.354 20 30 CGEDMO CC[N@@H+](Cc1cnn(C)c1)Cc1ccccc1C(C)(C)C#N ZINC000135171374 371398093 /nfs/dbraw/zinc/39/80/93/371398093.db2.gz GPLAUWUGMUJHKO-UHFFFAOYSA-N 1 1 296.418 3.243 20 30 CGEDMO Cc1cnc([C@@H](C)[NH2+]Cc2cc(C#N)cs2)s1 ZINC000134909357 371373768 /nfs/dbraw/zinc/37/37/68/371373768.db2.gz NDTLCIJAHWCGOO-SECBINFHSA-N 1 1 263.391 3.236 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2ccc(F)cc2F)s1 ZINC000135688588 371444236 /nfs/dbraw/zinc/44/42/36/371444236.db2.gz WOZPBTSKCJMPQL-UHFFFAOYSA-N 1 1 264.300 3.188 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cnccc1OC ZINC000286737768 371547267 /nfs/dbraw/zinc/54/72/67/371547267.db2.gz FIXZSEPAUMILGG-UHFFFAOYSA-N 1 1 295.386 3.374 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cnccc1OC ZINC000286737768 371547271 /nfs/dbraw/zinc/54/72/71/371547271.db2.gz FIXZSEPAUMILGG-UHFFFAOYSA-N 1 1 295.386 3.374 20 30 CGEDMO C[C@H](CN[C@@H](C)c1ccc(C#N)cc1)[N@@H+]1CCCC[C@H]1C ZINC000344033109 217019861 /nfs/dbraw/zinc/01/98/61/217019861.db2.gz LBCLXTACQGBEKA-OAGGEKHMSA-N 1 1 285.435 3.472 20 30 CGEDMO C[C@H](CN[C@@H](C)c1ccc(C#N)cc1)[N@H+]1CCCC[C@H]1C ZINC000344033109 217019865 /nfs/dbraw/zinc/01/98/65/217019865.db2.gz LBCLXTACQGBEKA-OAGGEKHMSA-N 1 1 285.435 3.472 20 30 CGEDMO C=CCC[C@@H](NCC1([NH+](C)C)CCC1)c1ccco1 ZINC000287486760 371664311 /nfs/dbraw/zinc/66/43/11/371664311.db2.gz NCDCJVOEZIFQOA-CQSZACIVSA-N 1 1 262.397 3.361 20 30 CGEDMO CC(C)C[N@H+]1CC[C@@H](CNc2nc(Cl)c(C#N)s2)C1 ZINC000287707808 371696269 /nfs/dbraw/zinc/69/62/69/371696269.db2.gz DREMPHGVNMYSCQ-JTQLQIEISA-N 1 1 298.843 3.058 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)Cc2cccn2C)cc1 ZINC000153245674 371758728 /nfs/dbraw/zinc/75/87/28/371758728.db2.gz DVLQYQPFJHGCMZ-UHFFFAOYSA-N 1 1 270.376 3.222 20 30 CGEDMO CC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CCOC(C)(C)C1 ZINC000289816423 371830039 /nfs/dbraw/zinc/83/00/39/371830039.db2.gz NVBSSNBHWGZQEF-HNNXBMFYSA-N 1 1 290.382 3.477 20 30 CGEDMO CCCC[C@H](C)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000289737103 371805564 /nfs/dbraw/zinc/80/55/64/371805564.db2.gz DTBDDZADCKNXQP-NSHDSACASA-N 1 1 279.409 3.069 20 30 CGEDMO N#Cc1c(C[N@H+]2CC[C@H](C3CC3)C2)cn2ccccc12 ZINC000344043464 217026458 /nfs/dbraw/zinc/02/64/58/217026458.db2.gz ZUNACSGAVZAOSN-AWEZNQCLSA-N 1 1 265.360 3.043 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C[C@@H]1CC=CCC1 ZINC000344061240 217033498 /nfs/dbraw/zinc/03/34/98/217033498.db2.gz MOYFRRWGWBSHPJ-MRXNPFEDSA-N 1 1 297.402 3.175 20 30 CGEDMO CCCC[C@@H](C)[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000290032116 371884640 /nfs/dbraw/zinc/88/46/40/371884640.db2.gz VWDXOYRVRUTJQS-CQSZACIVSA-N 1 1 287.407 3.397 20 30 CGEDMO C#CC[N@H+](CCC(=O)Nc1ccccc1F)C1CCCC1 ZINC000155733389 371940901 /nfs/dbraw/zinc/94/09/01/371940901.db2.gz UVWXGUSGBNGGIT-UHFFFAOYSA-N 1 1 288.366 3.032 20 30 CGEDMO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000156581630 371986092 /nfs/dbraw/zinc/98/60/92/371986092.db2.gz WFWHMCWQMJEZOZ-AWEZNQCLSA-N 1 1 294.439 3.370 20 30 CGEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)C(C)(C)C ZINC000290418406 371986714 /nfs/dbraw/zinc/98/67/14/371986714.db2.gz UQFIZXGCYMHDPS-INIZCTEOSA-N 1 1 274.408 3.176 20 30 CGEDMO Cc1cc[nH+]c(N2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000290609610 372026426 /nfs/dbraw/zinc/02/64/26/372026426.db2.gz KETRIRWXMVNKGT-UHFFFAOYSA-N 1 1 293.370 3.310 20 30 CGEDMO CC[N@H+](CCOc1c(C)cccc1C)C[C@H](C)C#N ZINC000157638612 372031402 /nfs/dbraw/zinc/03/14/02/372031402.db2.gz VPLLNRQPBWMIOL-CYBMUJFWSA-N 1 1 260.381 3.164 20 30 CGEDMO CC[N@@H+](CCOc1c(C)cccc1C)C[C@H](C)C#N ZINC000157638612 372031407 /nfs/dbraw/zinc/03/14/07/372031407.db2.gz VPLLNRQPBWMIOL-CYBMUJFWSA-N 1 1 260.381 3.164 20 30 CGEDMO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NCc2ccc(C#N)o2)C1 ZINC000344188942 217091338 /nfs/dbraw/zinc/09/13/38/217091338.db2.gz LYYVIPJNTTXPOW-GDBMZVCRSA-N 1 1 295.386 3.076 20 30 CGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NCc2ccc(C#N)o2)C1 ZINC000344188942 217091339 /nfs/dbraw/zinc/09/13/39/217091339.db2.gz LYYVIPJNTTXPOW-GDBMZVCRSA-N 1 1 295.386 3.076 20 30 CGEDMO Cc1nc2ccccn2c1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000158436331 372067597 /nfs/dbraw/zinc/06/75/97/372067597.db2.gz PLICIBAZWBPSIJ-UHFFFAOYSA-N 1 1 290.370 3.146 20 30 CGEDMO C=C[C@@H]1OCC[C@H]1CNc1cc[nH+]c2ccc(Cl)cc12 ZINC000425285206 372119683 /nfs/dbraw/zinc/11/96/83/372119683.db2.gz SJZFJCDUMSQFJW-ZBEGNZNMSA-N 1 1 288.778 3.313 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425559615 372134342 /nfs/dbraw/zinc/13/43/42/372134342.db2.gz ZOBOFTVOIIKKEB-OAHLLOKOSA-N 1 1 276.424 3.207 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cc(-n2ccnc2)cs1 ZINC000426559770 372164388 /nfs/dbraw/zinc/16/43/88/372164388.db2.gz NGEZUUVGXMEEGX-CYBMUJFWSA-N 1 1 273.405 3.474 20 30 CGEDMO C[N@@H+](Cc1cccc(F)c1C#N)CC1(O)CCCCCC1 ZINC000428443715 372202848 /nfs/dbraw/zinc/20/28/48/372202848.db2.gz SMTROLNONGJLMG-UHFFFAOYSA-N 1 1 290.382 3.214 20 30 CGEDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428982553 372296324 /nfs/dbraw/zinc/29/63/24/372296324.db2.gz SVAFJLOQHMFTOJ-ZFWWWQNUSA-N 1 1 290.382 3.213 20 30 CGEDMO C[C@@H]1C[C@H]1[N@H+]1CCN(CCCCC(C)(C)C#N)C[C@@H](C)C1 ZINC000429004308 372300372 /nfs/dbraw/zinc/30/03/72/372300372.db2.gz FFICYXZPQKIIBN-BRWVUGGUSA-N 1 1 291.483 3.369 20 30 CGEDMO C[C@@H]1C[C@H]1N1CC[N@H+](CCCCC(C)(C)C#N)C[C@@H](C)C1 ZINC000429004308 372300377 /nfs/dbraw/zinc/30/03/77/372300377.db2.gz FFICYXZPQKIIBN-BRWVUGGUSA-N 1 1 291.483 3.369 20 30 CGEDMO C[C@@H]1C[C@H]1N1CC[N@@H+](CCCCC(C)(C)C#N)C[C@@H](C)C1 ZINC000429004308 372300386 /nfs/dbraw/zinc/30/03/86/372300386.db2.gz FFICYXZPQKIIBN-BRWVUGGUSA-N 1 1 291.483 3.369 20 30 CGEDMO N#Cc1ccc(CNc2ccc(C3CCC3)c[nH+]2)o1 ZINC000292942447 372256589 /nfs/dbraw/zinc/25/65/89/372256589.db2.gz HZHIXMSBQHESQT-UHFFFAOYSA-N 1 1 253.305 3.426 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+](C(C)C)[C@H](C)c2ccccc2)C1=O ZINC000428864313 372274022 /nfs/dbraw/zinc/27/40/22/372274022.db2.gz SVJWNFZQIOEDJE-WBVHZDCISA-N 1 1 286.419 3.245 20 30 CGEDMO C[C@@H]1CC2(CCC2)C[N@H+]1Cc1cccc(F)c1C#N ZINC000428942120 372287418 /nfs/dbraw/zinc/28/74/18/372287418.db2.gz AACYREASMPEUST-GFCCVEGCSA-N 1 1 258.340 3.462 20 30 CGEDMO C[C@H]1CN(CCCC(C)(C)C#N)CC[N@H+](C2CCC2)C1 ZINC000429396842 372359767 /nfs/dbraw/zinc/35/97/67/372359767.db2.gz CZNCBVMQLWRXTO-HNNXBMFYSA-N 1 1 277.456 3.123 20 30 CGEDMO C[C@@H]1CN(C2CCC2)CC[N@H+](CCCC(C)(C)C#N)C1 ZINC000429396842 372359769 /nfs/dbraw/zinc/35/97/69/372359769.db2.gz CZNCBVMQLWRXTO-HNNXBMFYSA-N 1 1 277.456 3.123 20 30 CGEDMO C[C@@H]1CN(C2CCC2)CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000429396842 372359772 /nfs/dbraw/zinc/35/97/72/372359772.db2.gz CZNCBVMQLWRXTO-HNNXBMFYSA-N 1 1 277.456 3.123 20 30 CGEDMO N#CC1(C[N@H+](CCc2ccccc2)Cc2cccnc2)CC1 ZINC000429303859 372348595 /nfs/dbraw/zinc/34/85/95/372348595.db2.gz FAZJPXOUMGSXTK-UHFFFAOYSA-N 1 1 291.398 3.430 20 30 CGEDMO N#CC1(C[N@@H+](CCc2ccccc2)Cc2cccnc2)CC1 ZINC000429303859 372348602 /nfs/dbraw/zinc/34/86/02/372348602.db2.gz FAZJPXOUMGSXTK-UHFFFAOYSA-N 1 1 291.398 3.430 20 30 CGEDMO N#C[C@@H]1CC[C@H](N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000429689022 372375597 /nfs/dbraw/zinc/37/55/97/372375597.db2.gz CVBLFZUHYMPSCW-KURKYZTESA-N 1 1 289.467 3.267 20 30 CGEDMO C=CC[NH+](CC=C)Cc1nc2ccccc2nc1C ZINC000052868499 541876301 /nfs/dbraw/zinc/87/63/01/541876301.db2.gz JDSGEHNDUVQHIA-UHFFFAOYSA-N 1 1 253.349 3.112 20 30 CGEDMO COc1cc(C[NH2+]CC(C)(C)C#N)ccc1OC(C)C ZINC000168927452 372623837 /nfs/dbraw/zinc/62/38/37/372623837.db2.gz ABYDXROCFFTQLB-UHFFFAOYSA-N 1 1 276.380 3.122 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2cc(C3CC3)ccc2F)o1 ZINC000294664447 372663995 /nfs/dbraw/zinc/66/39/95/372663995.db2.gz ABDRZNNGGGDERP-UHFFFAOYSA-N 1 1 270.307 3.458 20 30 CGEDMO CC(C)N(CC[NH2+][C@@H]1CCc2ccc(C#N)cc21)C(C)C ZINC000353391330 220059738 /nfs/dbraw/zinc/05/97/38/220059738.db2.gz WULYXFIKPBLOPO-GOSISDBHSA-N 1 1 285.435 3.254 20 30 CGEDMO CC[C@H](C)[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435126005 372734860 /nfs/dbraw/zinc/73/48/60/372734860.db2.gz ZRLMNGLIEYNPKO-AWEZNQCLSA-N 1 1 297.406 3.089 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)CC1CCOCC1 ZINC000171825446 372834132 /nfs/dbraw/zinc/83/41/32/372834132.db2.gz UDCOHHAEDVBBAO-UHFFFAOYSA-N 1 1 275.392 3.110 20 30 CGEDMO C=CCc1cc(C[N@H+]2CCC=C(C)C2)cc(OC)c1O ZINC000437351059 372846510 /nfs/dbraw/zinc/84/65/10/372846510.db2.gz YKAKYMDTRUTNEB-UHFFFAOYSA-N 1 1 273.376 3.281 20 30 CGEDMO CCc1nc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2)cs1 ZINC000171786624 372826949 /nfs/dbraw/zinc/82/69/49/372826949.db2.gz CCZJYCGVMXIVRA-LLVKDONJSA-N 1 1 271.389 3.428 20 30 CGEDMO C=CC[C@H](C)NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437761571 372858060 /nfs/dbraw/zinc/85/80/60/372858060.db2.gz SMEFHWVHPBOHOS-GOEBONIOSA-N 1 1 293.455 3.047 20 30 CGEDMO C[N@H+](CCc1ccc(Cl)cc1)C[C@@H](C#N)CCC#N ZINC000172200034 372925468 /nfs/dbraw/zinc/92/54/68/372925468.db2.gz BAWXDLCEGVBVOC-CQSZACIVSA-N 1 1 275.783 3.258 20 30 CGEDMO C[N@@H+](CCc1ccc(Cl)cc1)C[C@@H](C#N)CCC#N ZINC000172200034 372925475 /nfs/dbraw/zinc/92/54/75/372925475.db2.gz BAWXDLCEGVBVOC-CQSZACIVSA-N 1 1 275.783 3.258 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000438481880 372962497 /nfs/dbraw/zinc/96/24/97/372962497.db2.gz ZAZICVNILDZBSA-GOSISDBHSA-N 1 1 292.382 3.384 20 30 CGEDMO C[C@@H]1Cc2[nH+]cn(Cc3ccc(F)c(C#N)c3)c2C[C@@H]1C ZINC000295937708 372965688 /nfs/dbraw/zinc/96/56/88/372965688.db2.gz KTQBIEVPQMUWIM-NEPJUHHUSA-N 1 1 283.350 3.313 20 30 CGEDMO CC[C@H]1C[N@H+](CC#Cc2ccccc2Cl)CCCO1 ZINC000439470437 372978341 /nfs/dbraw/zinc/97/83/41/372978341.db2.gz DJJZJQLRJAFBNE-HNNXBMFYSA-N 1 1 277.795 3.192 20 30 CGEDMO CC[C@H]1C[N@@H+](CC#Cc2ccccc2Cl)CCCO1 ZINC000439470437 372978348 /nfs/dbraw/zinc/97/83/48/372978348.db2.gz DJJZJQLRJAFBNE-HNNXBMFYSA-N 1 1 277.795 3.192 20 30 CGEDMO COc1ccc(Cn2c[nH+]c3c2C[C@@H](C)[C@H](C)C3)cc1C#N ZINC000295913798 372956484 /nfs/dbraw/zinc/95/64/84/372956484.db2.gz JEOBUZZJYDVKKW-CHWSQXEVSA-N 1 1 295.386 3.182 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000441092716 372999056 /nfs/dbraw/zinc/99/90/56/372999056.db2.gz WTCXBDWXDDWGLC-SJORKVTESA-N 1 1 273.420 3.439 20 30 CGEDMO CC#CCC[N@@H+](C[C@@H](C)O)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441255626 373001522 /nfs/dbraw/zinc/00/15/22/373001522.db2.gz FHNOVFKKAIJHSV-HUUCEWRRSA-N 1 1 293.838 3.367 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cccn1C ZINC000442682249 373064116 /nfs/dbraw/zinc/06/41/16/373064116.db2.gz OETUJKZVUQLHEY-CYBMUJFWSA-N 1 1 253.349 3.090 20 30 CGEDMO Cc1cccc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)n1 ZINC000442693443 373065269 /nfs/dbraw/zinc/06/52/69/373065269.db2.gz PBNAUANIZJAXKF-AWEZNQCLSA-N 1 1 265.360 3.455 20 30 CGEDMO C[N@@H+](CCc1cccc(N[C@H]2CC[C@@H](C#N)C2)c1)C1CC1 ZINC000442815175 373094776 /nfs/dbraw/zinc/09/47/76/373094776.db2.gz CEJCWTQBGXVHMQ-WBVHZDCISA-N 1 1 283.419 3.427 20 30 CGEDMO COc1cc(C[N@@H+](C)C[C@@H]2CC=CCC2)ccc1C#N ZINC000442836754 373101039 /nfs/dbraw/zinc/10/10/39/373101039.db2.gz IDNWIADXKFPTOS-CQSZACIVSA-N 1 1 270.376 3.355 20 30 CGEDMO N#C[C@@H]1CC[C@H](NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000442854667 373105686 /nfs/dbraw/zinc/10/56/86/373105686.db2.gz LDVRLYQQBJMNNO-VYDXJSESSA-N 1 1 275.440 3.065 20 30 CGEDMO N#C[C@@H]1CC[C@H](NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000442854667 373105693 /nfs/dbraw/zinc/10/56/93/373105693.db2.gz LDVRLYQQBJMNNO-VYDXJSESSA-N 1 1 275.440 3.065 20 30 CGEDMO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCN2C2CCCCC2)C1 ZINC000442854667 373105696 /nfs/dbraw/zinc/10/56/96/373105696.db2.gz LDVRLYQQBJMNNO-VYDXJSESSA-N 1 1 275.440 3.065 20 30 CGEDMO CCC[C@H]1C[N@@H+](CCCCC(C)(C)C#N)CCO1 ZINC000444666164 373226528 /nfs/dbraw/zinc/22/65/28/373226528.db2.gz WLASRAJGCKDRIN-AWEZNQCLSA-N 1 1 252.402 3.207 20 30 CGEDMO C=CCCCCCCCCNC(=O)Cn1cc[nH+]c1C ZINC000297453412 373271278 /nfs/dbraw/zinc/27/12/78/373271278.db2.gz SRANTKUSACCLGY-UHFFFAOYSA-N 1 1 277.412 3.224 20 30 CGEDMO N#Cc1c(C[N@H+]2CCCC23CCC3)cn2ccccc12 ZINC000444778850 373272427 /nfs/dbraw/zinc/27/24/27/373272427.db2.gz AISKLTRDTXBNOI-UHFFFAOYSA-N 1 1 265.360 3.329 20 30 CGEDMO CC[C@@]1(CO)CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000444679247 373231960 /nfs/dbraw/zinc/23/19/60/373231960.db2.gz LWPBTZIJUDOPKS-MRXNPFEDSA-N 1 1 266.429 3.191 20 30 CGEDMO CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H]1CCCC[C@@H]1C ZINC000444677836 373232785 /nfs/dbraw/zinc/23/27/85/373232785.db2.gz QIALXTULFNEKIK-WMLDXEAASA-N 1 1 299.418 3.397 20 30 CGEDMO CC(C)[N@@H+](CCOc1ccccc1C#N)CC1CCC1 ZINC000444764360 373262232 /nfs/dbraw/zinc/26/22/32/373262232.db2.gz GNAIOGTUCFNMLZ-UHFFFAOYSA-N 1 1 272.392 3.448 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2cnc(C)cn2)CCCC1(C)C ZINC000444772515 373267188 /nfs/dbraw/zinc/26/71/88/373267188.db2.gz ASJSSTNCOHSKOL-HNNXBMFYSA-N 1 1 259.397 3.352 20 30 CGEDMO CC(C)[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)CCS1 ZINC000174331364 373293255 /nfs/dbraw/zinc/29/32/55/373293255.db2.gz WTWMOFDOJOUWBH-HNNXBMFYSA-N 1 1 278.396 3.271 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CCS1 ZINC000174331364 373293268 /nfs/dbraw/zinc/29/32/68/373293268.db2.gz WTWMOFDOJOUWBH-HNNXBMFYSA-N 1 1 278.396 3.271 20 30 CGEDMO C=CC[C@@H]1[N@H+](CC[C@H]2CCOC2)CCCC1(C)C ZINC000446827444 373367755 /nfs/dbraw/zinc/36/77/55/373367755.db2.gz OJAVPOJVVADVQX-GJZGRUSLSA-N 1 1 251.414 3.480 20 30 CGEDMO C[C@H](NCC[N@@H+]1CCCC(C)(C)C1)c1cccc(C#N)c1 ZINC000447566441 373452762 /nfs/dbraw/zinc/45/27/62/373452762.db2.gz SYXHXSADZXJGQE-HNNXBMFYSA-N 1 1 285.435 3.331 20 30 CGEDMO C[C@H](NCC[N@H+]1CCCC(C)(C)C1)c1cccc(C#N)c1 ZINC000447566441 373452773 /nfs/dbraw/zinc/45/27/73/373452773.db2.gz SYXHXSADZXJGQE-HNNXBMFYSA-N 1 1 285.435 3.331 20 30 CGEDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNc1ccc(C#N)cc1F ZINC000447806094 373493676 /nfs/dbraw/zinc/49/36/76/373493676.db2.gz LXSUCBLMEYLQFM-HNNXBMFYSA-N 1 1 275.371 3.230 20 30 CGEDMO C=CC[N@H+](CCCCCCO)Cc1cccc(C#N)c1 ZINC000175752754 373513340 /nfs/dbraw/zinc/51/33/40/373513340.db2.gz OZMCVMNIYTXVQK-UHFFFAOYSA-N 1 1 272.392 3.099 20 30 CGEDMO C=C[C@@H](C)[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1 ZINC000449184628 373668120 /nfs/dbraw/zinc/66/81/20/373668120.db2.gz FPAVAJUXEGHBAU-CVEARBPZSA-N 1 1 272.436 3.246 20 30 CGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000177569422 373692847 /nfs/dbraw/zinc/69/28/47/373692847.db2.gz RPIUBRGOYYBUSF-CWRNSKLLSA-N 1 1 297.402 3.007 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCNc1c(C#N)cnc2ccccc21 ZINC000301354368 373756061 /nfs/dbraw/zinc/75/60/61/373756061.db2.gz KBFJHRDFSNQEJJ-CQSZACIVSA-N 1 1 294.402 3.393 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccccc1C#N)c1ccc2c(c1)OCO2 ZINC000179059287 373833381 /nfs/dbraw/zinc/83/33/81/373833381.db2.gz FPESZOASBJYIOR-GFCCVEGCSA-N 1 1 280.327 3.138 20 30 CGEDMO Cc1ccc(NCCCC[N@@H+]2CCC[C@@H](C)C2)nc1C#N ZINC000302650982 373915536 /nfs/dbraw/zinc/91/55/36/373915536.db2.gz NBCCUYKTEKJUGV-CQSZACIVSA-N 1 1 286.423 3.186 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC000179778503 373917363 /nfs/dbraw/zinc/91/73/63/373917363.db2.gz YFNWXAWZMCLVRK-LSDHHAIUSA-N 1 1 266.429 3.110 20 30 CGEDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1c(C#N)cccc1C#N ZINC000302865146 373988526 /nfs/dbraw/zinc/98/85/26/373988526.db2.gz XUTIAAIALGPMIZ-QLFBSQMISA-N 1 1 296.418 3.208 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000180934092 374060177 /nfs/dbraw/zinc/06/01/77/374060177.db2.gz JUUANUHJVQRIFY-JKSUJKDBSA-N 1 1 295.471 3.008 20 30 CGEDMO N#CC1(C[N@H+](CCC(F)(F)F)CC2CC2)CCC1 ZINC000450486504 374155306 /nfs/dbraw/zinc/15/53/06/374155306.db2.gz LEJDXJPVILBYOL-UHFFFAOYSA-N 1 1 260.303 3.345 20 30 CGEDMO N#CC1(C[N@@H+](CCC(F)(F)F)CC2CC2)CCC1 ZINC000450486504 374155312 /nfs/dbraw/zinc/15/53/12/374155312.db2.gz LEJDXJPVILBYOL-UHFFFAOYSA-N 1 1 260.303 3.345 20 30 CGEDMO C[C@H](C#N)C[N@H+](C[C@H]1CCCCC1(F)F)C1CC1 ZINC000450610582 374164428 /nfs/dbraw/zinc/16/44/28/374164428.db2.gz HBJFCOLXJIBEMI-VXGBXAGGSA-N 1 1 256.340 3.436 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C[C@H]1CCCCC1(F)F)C1CC1 ZINC000450610582 374164435 /nfs/dbraw/zinc/16/44/35/374164435.db2.gz HBJFCOLXJIBEMI-VXGBXAGGSA-N 1 1 256.340 3.436 20 30 CGEDMO C[C@H](C#N)C[N@H+](C[C@@H]1CCCCC1(F)F)C1CC1 ZINC000450610573 374165576 /nfs/dbraw/zinc/16/55/76/374165576.db2.gz HBJFCOLXJIBEMI-NEPJUHHUSA-N 1 1 256.340 3.436 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C[C@@H]1CCCCC1(F)F)C1CC1 ZINC000450610573 374165578 /nfs/dbraw/zinc/16/55/78/374165578.db2.gz HBJFCOLXJIBEMI-NEPJUHHUSA-N 1 1 256.340 3.436 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1cccc(F)c1F ZINC000181970391 374198126 /nfs/dbraw/zinc/19/81/26/374198126.db2.gz YXROGGDJOHHGNA-LBPRGKRZSA-N 1 1 296.361 3.040 20 30 CGEDMO Cc1[nH+]ccn1-c1ccc(NCc2ccc(C#N)cc2)cn1 ZINC000315709129 374332300 /nfs/dbraw/zinc/33/23/00/374332300.db2.gz WURLRAOFVXSHEZ-UHFFFAOYSA-N 1 1 289.342 3.060 20 30 CGEDMO COc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)ccc1C#N ZINC000318650842 374342433 /nfs/dbraw/zinc/34/24/33/374342433.db2.gz XKARSCVDSIKOIX-UHFFFAOYSA-N 1 1 291.354 3.071 20 30 CGEDMO Cc1noc(C2CC2)c1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000329871362 374437673 /nfs/dbraw/zinc/43/76/73/374437673.db2.gz AQQLGTHZCMTOFH-CABZTGNLSA-N 1 1 277.368 3.179 20 30 CGEDMO CC[C@@H]([NH2+]Cc1ncccc1OC)c1ccc(C#N)cc1 ZINC000453362980 374450330 /nfs/dbraw/zinc/45/03/30/374450330.db2.gz LTMXKDVKVVVACA-OAHLLOKOSA-N 1 1 281.359 3.203 20 30 CGEDMO C[C@H](C[N@@H+](C)CC#Cc1ccc(F)cc1)c1nccs1 ZINC000183957257 374477362 /nfs/dbraw/zinc/47/73/62/374477362.db2.gz GEFGLZRTMCMKBQ-CYBMUJFWSA-N 1 1 288.391 3.369 20 30 CGEDMO CC[C@H]1CCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000330528058 374477822 /nfs/dbraw/zinc/47/78/22/374477822.db2.gz RHVNZMSOTTVEOX-ZDUSSCGKSA-N 1 1 291.782 3.025 20 30 CGEDMO CC1(C)C[N@@H+](Cc2nc(C#N)cs2)[C@H]2CCC[C@@H]21 ZINC000334234605 374659940 /nfs/dbraw/zinc/65/99/40/374659940.db2.gz ZZYCWAPUDSHBFP-RYUDHWBXSA-N 1 1 261.394 3.025 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H](CC(C)C)C1 ZINC000466735194 374969820 /nfs/dbraw/zinc/96/98/20/374969820.db2.gz ABHFIFKFTACGCX-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[N@@H+](C)CCOc1ccc(OC(F)(F)F)cc1 ZINC000467297067 374974419 /nfs/dbraw/zinc/97/44/19/374974419.db2.gz DHQICMOCYSSANA-UHFFFAOYSA-N 1 1 289.297 3.472 20 30 CGEDMO C=CC[N@@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000469733318 374991482 /nfs/dbraw/zinc/99/14/82/374991482.db2.gz JMUCLVQBZOTXDK-UHFFFAOYSA-N 1 1 259.271 3.202 20 30 CGEDMO CC[N@@H+](C[C@H](O)Cc1ccc2ccccc2c1)C[C@H](C)C#N ZINC000470716931 374998850 /nfs/dbraw/zinc/99/88/50/374998850.db2.gz GOEGIDAOSZGDNZ-DNVCBOLYSA-N 1 1 296.414 3.225 20 30 CGEDMO CC[N@H+](C[C@H](O)Cc1ccc2ccccc2c1)C[C@H](C)C#N ZINC000470716931 374998858 /nfs/dbraw/zinc/99/88/58/374998858.db2.gz GOEGIDAOSZGDNZ-DNVCBOLYSA-N 1 1 296.414 3.225 20 30 CGEDMO C=CCOCCC[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000470768302 374999182 /nfs/dbraw/zinc/99/91/82/374999182.db2.gz ZMRMMKHEYKEPLO-QGZVFWFLSA-N 1 1 274.408 3.156 20 30 CGEDMO C=CCOCCC[N@H+]1CCO[C@H](c2ccc(CC)cc2)C1 ZINC000470866357 375001344 /nfs/dbraw/zinc/00/13/44/375001344.db2.gz LYASDXQHPSINLY-SFHVURJKSA-N 1 1 289.419 3.215 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000472737146 375031969 /nfs/dbraw/zinc/03/19/69/375031969.db2.gz OZNSAFAPWRAQHN-ROUUACIJSA-N 1 1 273.420 3.367 20 30 CGEDMO CC1(C#N)CC[NH+](CCc2cccc(F)c2F)CC1 ZINC000335046667 375089703 /nfs/dbraw/zinc/08/97/03/375089703.db2.gz FIFMSJFVRUJAPZ-UHFFFAOYSA-N 1 1 264.319 3.133 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000118394614 296225733 /nfs/dbraw/zinc/22/57/33/296225733.db2.gz NVFXNDSOYDAGHU-OLZOCXBDSA-N 1 1 258.365 3.119 20 30 CGEDMO C[C@H]1CCCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000187981523 375131118 /nfs/dbraw/zinc/13/11/18/375131118.db2.gz TTYQQPGHZMBHBX-AWEZNQCLSA-N 1 1 285.391 3.009 20 30 CGEDMO C[C@@H]1Cc2ccccc2C[N@H+]1CC#Cc1ccccc1 ZINC000483956992 375184166 /nfs/dbraw/zinc/18/41/66/375184166.db2.gz NCFCKQLDVQDVQM-MRXNPFEDSA-N 1 1 261.368 3.485 20 30 CGEDMO C=CC[NH+]1CCC(N[C@H](C)c2ccccc2OCC)CC1 ZINC000482638360 375171158 /nfs/dbraw/zinc/17/11/58/375171158.db2.gz ZTJVPMVPTACSMS-OAHLLOKOSA-N 1 1 288.435 3.386 20 30 CGEDMO COCC[N@@H+](CC#Cc1ccc(F)cc1)[C@H]1CC[C@H](C)C1 ZINC000484871229 375188732 /nfs/dbraw/zinc/18/87/32/375188732.db2.gz MINVMXQZZAOYQP-YJBOKZPZSA-N 1 1 289.394 3.314 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000188550389 375229997 /nfs/dbraw/zinc/22/99/97/375229997.db2.gz BXUPQRBSASSKFN-NUJGCVRESA-N 1 1 286.419 3.150 20 30 CGEDMO COCC[N@@H+](CC#Cc1ccc(F)cc1)[C@H]1CCC[C@@H]1C ZINC000487946703 375288492 /nfs/dbraw/zinc/28/84/92/375288492.db2.gz BXPRTCQUXZGWBY-YJBOKZPZSA-N 1 1 289.394 3.314 20 30 CGEDMO C#C[C@H](CC)[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1 ZINC000491372947 375328276 /nfs/dbraw/zinc/32/82/76/375328276.db2.gz LGJIOCOXRDKNDI-FUHWJXTLSA-N 1 1 284.447 3.083 20 30 CGEDMO C#C[C@H](CC)NC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000491372947 375328282 /nfs/dbraw/zinc/32/82/82/375328282.db2.gz LGJIOCOXRDKNDI-FUHWJXTLSA-N 1 1 284.447 3.083 20 30 CGEDMO CO[C@]1(C)CCC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000335763654 375410490 /nfs/dbraw/zinc/41/04/90/375410490.db2.gz QETKMOBPMABRNQ-XJKSGUPXSA-N 1 1 258.365 3.120 20 30 CGEDMO CC1=C(c2ccco2)C[N@H+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000335767439 375413383 /nfs/dbraw/zinc/41/33/83/375413383.db2.gz MPMXVBCUSJCTKV-UONOGXRCSA-N 1 1 256.349 3.451 20 30 CGEDMO N#CCC1CC[NH+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000335860679 375491635 /nfs/dbraw/zinc/49/16/35/375491635.db2.gz YZYAUFBSOWCAPQ-UHFFFAOYSA-N 1 1 288.782 3.113 20 30 CGEDMO C=CC[N@H+](C)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000494704482 375492128 /nfs/dbraw/zinc/49/21/28/375492128.db2.gz UVSXCOBYXDHLCI-OAHLLOKOSA-N 1 1 294.398 3.273 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)C[C@@H]1CCSC1 ZINC000495077447 375497441 /nfs/dbraw/zinc/49/74/41/375497441.db2.gz FEGYZYKOGMXHDV-LBPRGKRZSA-N 1 1 253.436 3.489 20 30 CGEDMO Cn1cc(C[N@H+]2CCCC3(CCCCC3)C2)cc1C#N ZINC000191358006 375615951 /nfs/dbraw/zinc/61/59/51/375615951.db2.gz LJSUXBMLTUMDEK-UHFFFAOYSA-N 1 1 271.408 3.443 20 30 CGEDMO CC[N@H+]1C[C@@H](C)N(Cc2ccccc2C(C)(C)C#N)C[C@H]1C ZINC000498922303 375628188 /nfs/dbraw/zinc/62/81/88/375628188.db2.gz KZRJTIONPFRZGP-HZPDHXFCSA-N 1 1 299.462 3.402 20 30 CGEDMO CCN1C[C@@H](C)[N@H+](Cc2ccccc2C(C)(C)C#N)C[C@H]1C ZINC000498922303 375628195 /nfs/dbraw/zinc/62/81/95/375628195.db2.gz KZRJTIONPFRZGP-HZPDHXFCSA-N 1 1 299.462 3.402 20 30 CGEDMO CCN1C[C@@H](C)[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@H]1C ZINC000498922303 375628202 /nfs/dbraw/zinc/62/82/02/375628202.db2.gz KZRJTIONPFRZGP-HZPDHXFCSA-N 1 1 299.462 3.402 20 30 CGEDMO CCC[N@@H+](Cc1cc(C#N)n(C)c1)Cc1ccccc1O ZINC000191290037 375605145 /nfs/dbraw/zinc/60/51/45/375605145.db2.gz WFNCOSUUCRQLPY-UHFFFAOYSA-N 1 1 283.375 3.015 20 30 CGEDMO Cc1ccc(C[C@H]2CCC[N@@H+]2Cc2cc(C#N)n(C)c2)cc1 ZINC000191312855 375609459 /nfs/dbraw/zinc/60/94/59/375609459.db2.gz LSLNGIYXDPQRTC-GOSISDBHSA-N 1 1 293.414 3.412 20 30 CGEDMO CC(C)[C@@H]1CCC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000499697745 375631368 /nfs/dbraw/zinc/63/13/68/375631368.db2.gz VNHUNCMBABPCKY-MRXNPFEDSA-N 1 1 278.440 3.455 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000505842295 375661829 /nfs/dbraw/zinc/66/18/29/375661829.db2.gz HDDUEKCCUQOTDY-UHFFFAOYSA-N 1 1 299.374 3.203 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](CO)c1cccc(Br)c1 ZINC000501436126 375638729 /nfs/dbraw/zinc/63/87/29/375638729.db2.gz QHPISCXRMMXZST-CQSZACIVSA-N 1 1 298.224 3.381 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2C2CCOCC2)cc1F ZINC000336087320 375676431 /nfs/dbraw/zinc/67/64/31/375676431.db2.gz NODYXHPUHKLFBW-QGZVFWFLSA-N 1 1 288.366 3.088 20 30 CGEDMO Cc1cc(C[N@H+]2CCC3(CCOCC3)[C@@H]2C)ccc1C#N ZINC000336096412 375683753 /nfs/dbraw/zinc/68/37/53/375683753.db2.gz ZNHMCEMHFACYSR-HNNXBMFYSA-N 1 1 284.403 3.258 20 30 CGEDMO C[C@@H]1CC[N@@H+](CCCOc2cccc(C#N)c2)CCS1 ZINC000192194560 375710795 /nfs/dbraw/zinc/71/07/95/375710795.db2.gz ZNBHEQOUTISUMS-CQSZACIVSA-N 1 1 290.432 3.155 20 30 CGEDMO Cc1nocc1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000336132278 375711912 /nfs/dbraw/zinc/71/19/12/375711912.db2.gz KHQZRLHTVJXHEW-UHFFFAOYSA-N 1 1 279.343 3.144 20 30 CGEDMO Cc1nocc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000336132278 375711916 /nfs/dbraw/zinc/71/19/16/375711916.db2.gz KHQZRLHTVJXHEW-UHFFFAOYSA-N 1 1 279.343 3.144 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1ccc(N(C)C)nc1 ZINC000127771588 542047829 /nfs/dbraw/zinc/04/78/29/542047829.db2.gz PDJKIKDFFKOZHJ-UHFFFAOYSA-N 1 1 261.413 3.326 20 30 CGEDMO CC1(C#N)CCC([NH2+]C2CCN(C3CCC3)CC2)CC1 ZINC000336214390 375759624 /nfs/dbraw/zinc/75/96/24/375759624.db2.gz MJZDNDFFFUWUHF-UHFFFAOYSA-N 1 1 275.440 3.065 20 30 CGEDMO N#CC1(C[N@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)CC1 ZINC000336338266 375779389 /nfs/dbraw/zinc/77/93/89/375779389.db2.gz FOIUDYDPGCXXJA-LBPRGKRZSA-N 1 1 299.349 3.450 20 30 CGEDMO N#CC1(C[N@@H+]2CCC[C@H](c3nc4ccc(F)cc4o3)C2)CC1 ZINC000336338266 375779397 /nfs/dbraw/zinc/77/93/97/375779397.db2.gz FOIUDYDPGCXXJA-LBPRGKRZSA-N 1 1 299.349 3.450 20 30 CGEDMO Cc1cc(C[NH2+]CC2(C#N)CC2)ccc1C(F)(F)F ZINC000514922302 375809039 /nfs/dbraw/zinc/80/90/39/375809039.db2.gz YQZFREJXPLJIJX-UHFFFAOYSA-N 1 1 268.282 3.407 20 30 CGEDMO C[N@H+](CC#Cc1ccccc1)CCc1ccccc1[N+](=O)[O-] ZINC000511127095 375789701 /nfs/dbraw/zinc/78/97/01/375789701.db2.gz SBJPTOWTPSFIFW-UHFFFAOYSA-N 1 1 294.354 3.121 20 30 CGEDMO Cc1cc(C[N@@H+]2C[C@@H](C(N)=O)CC[C@@H]2C)ccc1C#N ZINC000336546574 375823588 /nfs/dbraw/zinc/82/35/88/375823588.db2.gz YRFHJBQSPKPOAV-WFASDCNBSA-N 1 1 271.364 3.002 20 30 CGEDMO CC(C)[N@@H+](C[C@H](O)c1ccc(C#N)cc1)CC1CCC1 ZINC000193213180 375840943 /nfs/dbraw/zinc/84/09/43/375840943.db2.gz QYVFSAIVAAWNFB-KRWDZBQOSA-N 1 1 272.392 3.102 20 30 CGEDMO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1ccc(C#N)cn1 ZINC000519806593 375851528 /nfs/dbraw/zinc/85/15/28/375851528.db2.gz UIELCVGXXVEPPD-XJKSGUPXSA-N 1 1 295.361 3.470 20 30 CGEDMO CC(C)(CCC#N)CNc1cc[nH+]cc1Br ZINC000336678830 375902754 /nfs/dbraw/zinc/90/27/54/375902754.db2.gz QQBMNTGTBNRCAU-UHFFFAOYSA-N 1 1 282.185 3.008 20 30 CGEDMO CCN1CC[C@@H]([N@H+](C)CCCC(C)(C)C#N)C[C@@H]1C ZINC000336803021 375953912 /nfs/dbraw/zinc/95/39/12/375953912.db2.gz WVKWUNZJXIQJLR-LSDHHAIUSA-N 1 1 265.445 3.121 20 30 CGEDMO CCN1CC[C@@H]([N@@H+](C)CCCC(C)(C)C#N)C[C@@H]1C ZINC000336803021 375953917 /nfs/dbraw/zinc/95/39/17/375953917.db2.gz WVKWUNZJXIQJLR-LSDHHAIUSA-N 1 1 265.445 3.121 20 30 CGEDMO C[C@H]1[C@@H](Nc2cccc(C#N)n2)CC[N@H+]1Cc1ccccc1 ZINC000336710783 375913752 /nfs/dbraw/zinc/91/37/52/375913752.db2.gz KWKQOFWWJDMPOH-YOEHRIQHSA-N 1 1 292.386 3.028 20 30 CGEDMO COc1cc(C[N@H+](CCC#N)CC2CC2)ccc1C ZINC000193880905 375934052 /nfs/dbraw/zinc/93/40/52/375934052.db2.gz HMMLBYLXNQLYIX-UHFFFAOYSA-N 1 1 258.365 3.129 20 30 CGEDMO COc1cc(C[N@@H+](CCC#N)CC2CC2)ccc1C ZINC000193880905 375934062 /nfs/dbraw/zinc/93/40/62/375934062.db2.gz HMMLBYLXNQLYIX-UHFFFAOYSA-N 1 1 258.365 3.129 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCc2ccc(O)cc2C1 ZINC000336802099 375951148 /nfs/dbraw/zinc/95/11/48/375951148.db2.gz SOFPINKIDNRUIG-UHFFFAOYSA-N 1 1 258.365 3.080 20 30 CGEDMO C=CCN1CC[C@@H]([N@H+](CC)[C@H](CC)c2ccccc2)C1=O ZINC000337137569 376093847 /nfs/dbraw/zinc/09/38/47/376093847.db2.gz OFZASQHMXCHUSY-IAGOWNOFSA-N 1 1 286.419 3.247 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+](Cc1ccccn1)C(C)C ZINC000536594463 376100658 /nfs/dbraw/zinc/10/06/58/376100658.db2.gz PBEIPJTUZCUVSK-UHFFFAOYSA-N 1 1 295.386 3.372 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](Cc1ccccn1)C(C)C ZINC000536594463 376100668 /nfs/dbraw/zinc/10/06/68/376100668.db2.gz PBEIPJTUZCUVSK-UHFFFAOYSA-N 1 1 295.386 3.372 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2c2ccc(C)cc2)C1=O ZINC000337185077 376121983 /nfs/dbraw/zinc/12/19/83/376121983.db2.gz OBFMPIHLZPWAIK-ROUUACIJSA-N 1 1 298.430 3.309 20 30 CGEDMO COC(=O)c1cccc(C[N@@H+](C)C2CCCCC2)c1C#N ZINC000535978858 376075652 /nfs/dbraw/zinc/07/56/52/376075652.db2.gz RTPCMAHBHDMOJF-UHFFFAOYSA-N 1 1 286.375 3.109 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)cc1 ZINC000537634090 376186616 /nfs/dbraw/zinc/18/66/16/376186616.db2.gz XGZKFEFGQJNDID-IYBDPMFKSA-N 1 1 257.377 3.339 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cc(OC)cc2c1O[C@@H](C)C2 ZINC000537635695 376187474 /nfs/dbraw/zinc/18/74/74/376187474.db2.gz MGSXFSWZUDBSMM-ZDUSSCGKSA-N 1 1 275.392 3.417 20 30 CGEDMO N#CCC[N@@H+](CCCCC1CCOCC1)CC1CC1 ZINC000337185587 376123542 /nfs/dbraw/zinc/12/35/42/376123542.db2.gz OMPXFPQVVYNSRM-UHFFFAOYSA-N 1 1 264.413 3.209 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1C ZINC000337334997 376212667 /nfs/dbraw/zinc/21/26/67/376212667.db2.gz BYLCQTHOFGQJCD-MRXNPFEDSA-N 1 1 288.435 3.240 20 30 CGEDMO C=CCOCCC[N@H+]1CCc2cc(F)cc(C)c2C1 ZINC000337471391 376223928 /nfs/dbraw/zinc/22/39/28/376223928.db2.gz VSWBHDPENWEPEB-UHFFFAOYSA-N 1 1 263.356 3.085 20 30 CGEDMO C[N@@H+](CCc1ccccc1)Cc1cccc(C#N)c1F ZINC000223523234 376255719 /nfs/dbraw/zinc/25/57/19/376255719.db2.gz CIJLXOYUKZAYFU-UHFFFAOYSA-N 1 1 268.335 3.372 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccc(F)cc2)cc1 ZINC000225516336 376314392 /nfs/dbraw/zinc/31/43/92/376314392.db2.gz JMCNBXQJWLOGBB-QZTJIDSGSA-N 1 1 296.345 3.005 20 30 CGEDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc(C#N)c1 ZINC000338370153 376353281 /nfs/dbraw/zinc/35/32/81/376353281.db2.gz ZWCJMKIPDAAGFH-UHFFFAOYSA-N 1 1 295.342 3.141 20 30 CGEDMO N#Cc1ccccc1OCC[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000228012801 376423263 /nfs/dbraw/zinc/42/32/63/376423263.db2.gz SLRQVGUSNQSADC-GOEBONIOSA-N 1 1 270.376 3.202 20 30 CGEDMO C=CCC[N@H+](C)[C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000338549039 376424560 /nfs/dbraw/zinc/42/45/60/376424560.db2.gz LQPDLYSMWQPDMI-INIZCTEOSA-N 1 1 273.355 3.157 20 30 CGEDMO CC1(C)CC[N@@H+](Cc2ccc(F)c(C#N)c2)CCS1 ZINC000228088798 376428848 /nfs/dbraw/zinc/42/88/48/376428848.db2.gz YMMBOWKKPKHSRN-UHFFFAOYSA-N 1 1 278.396 3.415 20 30 CGEDMO CCC[N@@H+](CCCC(=O)OCC)Cc1ccc(C#N)cc1 ZINC000338735412 376507361 /nfs/dbraw/zinc/50/73/61/376507361.db2.gz YIDDPWCZDBVJFA-UHFFFAOYSA-N 1 1 288.391 3.114 20 30 CGEDMO N#CCC1CC[NH+](Cc2csc(-c3ccccn3)n2)CC1 ZINC000541918918 376495385 /nfs/dbraw/zinc/49/53/85/376495385.db2.gz OWZQBDBKKOZDFS-UHFFFAOYSA-N 1 1 298.415 3.331 20 30 CGEDMO CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(CC#N)CC1 ZINC000542883464 376590302 /nfs/dbraw/zinc/59/03/02/376590302.db2.gz MUHVXERPKUDFEE-CQSZACIVSA-N 1 1 299.418 3.202 20 30 CGEDMO CC[N@@H+](C[C@H](C)C#N)C[C@@H]1CCc2ccccc2C1 ZINC000542917121 376593135 /nfs/dbraw/zinc/59/31/35/376593135.db2.gz UUUPFKQMLKASDW-HUUCEWRRSA-N 1 1 256.393 3.273 20 30 CGEDMO C[N@@H+](CCCCC(C)(C)C#N)CCOCC1CC1 ZINC000234271821 376614461 /nfs/dbraw/zinc/61/44/61/376614461.db2.gz NQKJHQUKZAEJMW-UHFFFAOYSA-N 1 1 252.402 3.065 20 30 CGEDMO CC(C)[C@H](C[NH2+]Cc1cccc(C#N)c1)N1CCC(C)CC1 ZINC000236722367 376685266 /nfs/dbraw/zinc/68/52/66/376685266.db2.gz ACSKNETWNRRZOS-IBGZPJMESA-N 1 1 299.462 3.404 20 30 CGEDMO C=C1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000264517339 190115207 /nfs/dbraw/zinc/11/52/07/190115207.db2.gz UKMCCMCOJFGUIM-GOSISDBHSA-N 1 1 298.430 3.077 20 30 CGEDMO C=CCOCC[N@H+](C)[C@@H](CC)c1ccccc1OC ZINC000339206871 376734103 /nfs/dbraw/zinc/73/41/03/376734103.db2.gz WBKRXLHWUKZXAG-HNNXBMFYSA-N 1 1 263.381 3.281 20 30 CGEDMO C=C(C)CC[NH2+]C1(C(=O)OC(C)(C)C)CCCC1 ZINC000556812015 376883334 /nfs/dbraw/zinc/88/33/34/376883334.db2.gz KHIYAKGNGHGBOG-UHFFFAOYSA-N 1 1 253.386 3.197 20 30 CGEDMO N#Cc1ccccc1C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000340104766 376919732 /nfs/dbraw/zinc/91/97/32/376919732.db2.gz KDCJSEMMVRTWDE-QGZVFWFLSA-N 1 1 263.344 3.194 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000245884993 376925548 /nfs/dbraw/zinc/92/55/48/376925548.db2.gz ISZSSTLBENQMHZ-CHWSQXEVSA-N 1 1 258.365 3.045 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@@H](C)C[C@@H](C)C2)cc1C#N ZINC000340174288 376936177 /nfs/dbraw/zinc/93/61/77/376936177.db2.gz PVXVZKGTRQJMQL-ZIAGYGMSSA-N 1 1 272.392 3.435 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000246009089 376952479 /nfs/dbraw/zinc/95/24/79/376952479.db2.gz KRNRRHNJENRGBJ-HOTGVXAUSA-N 1 1 263.356 3.290 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000247093460 377157413 /nfs/dbraw/zinc/15/74/13/377157413.db2.gz WRAGTTLIYNYGJM-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000247561624 377223831 /nfs/dbraw/zinc/22/38/31/377223831.db2.gz RSLCNXXWRZHDAP-CVEARBPZSA-N 1 1 277.433 3.104 20 30 CGEDMO Cc1ccccc1[C@@H]1C[N@H+](CCCC#N)[C@@H](C)CO1 ZINC000247704004 377235972 /nfs/dbraw/zinc/23/59/72/377235972.db2.gz YMUPOWYNFHROJW-HOCLYGCPSA-N 1 1 258.365 3.061 20 30 CGEDMO Cc1ccccc1[C@@H]1C[N@@H+](CCCC#N)[C@@H](C)CO1 ZINC000247704004 377235982 /nfs/dbraw/zinc/23/59/82/377235982.db2.gz YMUPOWYNFHROJW-HOCLYGCPSA-N 1 1 258.365 3.061 20 30 CGEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1ccc(C#N)cc1F ZINC000341098114 377394698 /nfs/dbraw/zinc/39/46/98/377394698.db2.gz JJUMMBFWCHBRLR-BETUJISGSA-N 1 1 275.371 3.372 20 30 CGEDMO CC[C@@]1(CO)CCC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000249002244 377441654 /nfs/dbraw/zinc/44/16/54/377441654.db2.gz YXUPQMNBNQFUEL-RHSMWYFYSA-N 1 1 272.392 3.104 20 30 CGEDMO Cc1noc([C@@H]2CCC[N@H+]([C@H](C)c3cccc(C#N)c3)C2)n1 ZINC000249472853 377506172 /nfs/dbraw/zinc/50/61/72/377506172.db2.gz SJTOOAZKAFJXPJ-MLGOLLRUSA-N 1 1 296.374 3.190 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000249280028 377484366 /nfs/dbraw/zinc/48/43/66/377484366.db2.gz NDCZQCWVLFROHS-OLMNPRSZSA-N 1 1 283.419 3.035 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000249280028 377484372 /nfs/dbraw/zinc/48/43/72/377484372.db2.gz NDCZQCWVLFROHS-OLMNPRSZSA-N 1 1 283.419 3.035 20 30 CGEDMO C=CCCCC[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000568951259 377525093 /nfs/dbraw/zinc/52/50/93/377525093.db2.gz OGHULVGCAVYEFW-MRXNPFEDSA-N 1 1 260.381 3.029 20 30 CGEDMO N#Cc1csc(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000092758320 249034036 /nfs/dbraw/zinc/03/40/36/249034036.db2.gz QVDGJUNWHHDCBC-OAHLLOKOSA-N 1 1 283.400 3.306 20 30 CGEDMO C[C@@H]1CC[N@@H+](CCC(C)(C)C#N)C[C@@H]1C(=O)OC(C)(C)C ZINC000567791301 377509911 /nfs/dbraw/zinc/50/99/11/377509911.db2.gz MZACWTQVJCUEBP-KGLIPLIRSA-N 1 1 294.439 3.226 20 30 CGEDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459407664 249150133 /nfs/dbraw/zinc/15/01/33/249150133.db2.gz LGKXNUIDPJOPKU-ZDUSSCGKSA-N 1 1 287.363 3.334 20 30 CGEDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000490549010 249173783 /nfs/dbraw/zinc/17/37/83/249173783.db2.gz URLYMQXDCPOPKB-ZIAGYGMSSA-N 1 1 294.402 3.189 20 30 CGEDMO CC(C)C[C@@]1(C)CCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000517236870 249260933 /nfs/dbraw/zinc/26/09/33/249260933.db2.gz RWWXUYBXTQGLEC-QGZVFWFLSA-N 1 1 297.406 3.002 20 30 CGEDMO C[C@@H]1c2ccccc2CC[N@H+]1Cc1ccc(C#N)cn1 ZINC000574168697 377629903 /nfs/dbraw/zinc/62/99/03/377629903.db2.gz AYFXUYTXFHJMNT-CYBMUJFWSA-N 1 1 263.344 3.073 20 30 CGEDMO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000574168697 377629910 /nfs/dbraw/zinc/62/99/10/377629910.db2.gz AYFXUYTXFHJMNT-CYBMUJFWSA-N 1 1 263.344 3.073 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1Cc2ccccc2C[C@@H]1CC ZINC000342354942 377642552 /nfs/dbraw/zinc/64/25/52/377642552.db2.gz NIETYKORTHQEJY-DLBZAZTESA-N 1 1 259.393 3.150 20 30 CGEDMO N#Cc1ccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1Cl ZINC000252666912 377647290 /nfs/dbraw/zinc/64/72/90/377647290.db2.gz CQWNTUGDXAUFJS-KGLIPLIRSA-N 1 1 275.783 3.250 20 30 CGEDMO COC[C@@H]1CCCC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000342568641 377664777 /nfs/dbraw/zinc/66/47/77/377664777.db2.gz LOGWIGMPUYLRKL-QGZVFWFLSA-N 1 1 272.392 3.001 20 30 CGEDMO C[N@H+](CC#Cc1ccccc1Cl)CC[C@H]1CCCO1 ZINC000342609925 377689433 /nfs/dbraw/zinc/68/94/33/377689433.db2.gz WQXUTHFNGKKRDB-OAHLLOKOSA-N 1 1 277.795 3.192 20 30 CGEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCCOC1 ZINC000342642483 377705621 /nfs/dbraw/zinc/70/56/21/377705621.db2.gz XGEALMWARAQRHW-OAHLLOKOSA-N 1 1 290.363 3.009 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000342714736 377750661 /nfs/dbraw/zinc/75/06/61/377750661.db2.gz AFXWUZXLSKOYAU-KRWDZBQOSA-N 1 1 265.360 3.418 20 30 CGEDMO CC1CCC([N@@H+](C[C@@H]2CCCO2)CC2(C#N)CC2)CC1 ZINC000343312318 377950365 /nfs/dbraw/zinc/95/03/65/377950365.db2.gz AGQCRDCBTYRMHC-GPANFISMSA-N 1 1 276.424 3.350 20 30 CGEDMO Cc1ccnc(NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1C#N ZINC000343527796 378007342 /nfs/dbraw/zinc/00/73/42/378007342.db2.gz LXJNTSPOZTWHSX-CYBMUJFWSA-N 1 1 286.423 3.184 20 30 CGEDMO Cc1ccnc(N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1C#N ZINC000343440767 377979745 /nfs/dbraw/zinc/97/97/45/377979745.db2.gz QYRANDJGIRJSAL-GUTXKFCHSA-N 1 1 286.423 3.040 20 30 CGEDMO CN(CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(CC#N)cc1 ZINC000343552301 378017367 /nfs/dbraw/zinc/01/73/67/378017367.db2.gz NXLHTWFEWCJOFC-SFHVURJKSA-N 1 1 285.435 3.059 20 30 CGEDMO C=C(C)CN(Cc1ccc(CO)o1)c1cc(C)cc[nH+]1 ZINC000343619238 378043153 /nfs/dbraw/zinc/04/31/53/378043153.db2.gz GDEYPMZKAPVQFD-UHFFFAOYSA-N 1 1 272.348 3.058 20 30 CGEDMO C[NH+](C)Cc1ccsc1C(=O)Nc1ccc(CC#N)cc1 ZINC000267989974 378047462 /nfs/dbraw/zinc/04/74/62/378047462.db2.gz AHNXZZHCADFIFA-UHFFFAOYSA-N 1 1 299.399 3.128 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@H](C)c1sc(C)nc1C ZINC000268580661 378076206 /nfs/dbraw/zinc/07/62/06/378076206.db2.gz SWRSXKWQXNDAJF-YPMHNXCESA-N 1 1 268.426 3.080 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)[C@@H](C)c1sc(CC)nc1C ZINC000268577286 378076349 /nfs/dbraw/zinc/07/63/49/378076349.db2.gz SDVQTELOMUXGFA-QWHCGFSZSA-N 1 1 282.453 3.334 20 30 CGEDMO C[N@@H+](Cc1ccc(F)cc1C#N)C1Cc2ccccc2C1 ZINC000343729267 378077146 /nfs/dbraw/zinc/07/71/46/378077146.db2.gz VMVQPCHFGZQQNF-UHFFFAOYSA-N 1 1 280.346 3.297 20 30 CGEDMO C[C@@H](c1cccnc1)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000343726391 378077341 /nfs/dbraw/zinc/07/73/41/378077341.db2.gz HLGQTVQPWOXDCX-AWEZNQCLSA-N 1 1 265.360 3.341 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000268602633 378078579 /nfs/dbraw/zinc/07/85/79/378078579.db2.gz XRIUSQDZRWYDTH-QGZVFWFLSA-N 1 1 272.392 3.096 20 30 CGEDMO CCC(CC)[N@@H+](CC)CCOc1ccc(C#N)cc1OC ZINC000344012365 378153438 /nfs/dbraw/zinc/15/34/38/378153438.db2.gz BSOVCLRLCRPTIL-UHFFFAOYSA-N 1 1 290.407 3.456 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCc3ccsc3C2)cc1 ZINC000343775967 378089097 /nfs/dbraw/zinc/08/90/97/378089097.db2.gz XBEFUEJRFVUWPJ-UHFFFAOYSA-N 1 1 268.385 3.372 20 30 CGEDMO C#CCC[N@H+](C)Cc1ccc(OC(F)F)c(OCC)c1 ZINC000268724686 378097434 /nfs/dbraw/zinc/09/74/34/378097434.db2.gz PCKUWQVVPCCVHV-UHFFFAOYSA-N 1 1 283.318 3.142 20 30 CGEDMO Cc1nsc(C)c1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000579939961 378208940 /nfs/dbraw/zinc/20/89/40/378208940.db2.gz OBFJTNOFWLQWGF-UHFFFAOYSA-N 1 1 271.389 3.264 20 30 CGEDMO Cc1nsc(C)c1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000579939961 378208944 /nfs/dbraw/zinc/20/89/44/378208944.db2.gz OBFJTNOFWLQWGF-UHFFFAOYSA-N 1 1 271.389 3.264 20 30 CGEDMO N#Cc1cc(F)ccc1N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000269431688 378220624 /nfs/dbraw/zinc/22/06/24/378220624.db2.gz PZDJIPVWPYCFDD-UGSOOPFHSA-N 1 1 299.393 3.150 20 30 CGEDMO C[C@@H]1C[C@@H](CO)CC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000344145248 378160702 /nfs/dbraw/zinc/16/07/02/378160702.db2.gz OVZYTICHSNEJKJ-CABCVRRESA-N 1 1 286.419 3.081 20 30 CGEDMO CN(C)c1ccccc1C[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000344134846 378160786 /nfs/dbraw/zinc/16/07/86/378160786.db2.gz ZQMQWXCJYVXMCM-UHFFFAOYSA-N 1 1 293.414 3.451 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000344154250 378161864 /nfs/dbraw/zinc/16/18/64/378161864.db2.gz IOOOPISFVLPZLY-KRWDZBQOSA-N 1 1 277.383 3.019 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc(C#N)cn1)C1CCCCC1 ZINC000582309283 378303647 /nfs/dbraw/zinc/30/36/47/378303647.db2.gz XSLKICOGNYDAMO-UHFFFAOYSA-N 1 1 257.381 3.496 20 30 CGEDMO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2ccc(C#N)c(F)c2)n[nH]1 ZINC000271949310 378527123 /nfs/dbraw/zinc/52/71/23/378527123.db2.gz ODWLYHXXSHCFGL-CMPLNLGQSA-N 1 1 286.354 3.011 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@H](COc3ccccc3)C2)c1 ZINC000272644141 378683170 /nfs/dbraw/zinc/68/31/70/378683170.db2.gz YBFKKZXWXXEUAK-SFHVURJKSA-N 1 1 292.382 3.459 20 30 CGEDMO N#Cc1ccc(OCC[N@@H+]2CCc3cccc(F)c3C2)cc1 ZINC000347946979 378735717 /nfs/dbraw/zinc/73/57/17/378735717.db2.gz LBXKHSIMLISGBS-UHFFFAOYSA-N 1 1 296.345 3.134 20 30 CGEDMO N#Cc1ccc(OCC[N@H+]2CCc3cccc(F)c3C2)cc1 ZINC000347946979 378735723 /nfs/dbraw/zinc/73/57/23/378735723.db2.gz LBXKHSIMLISGBS-UHFFFAOYSA-N 1 1 296.345 3.134 20 30 CGEDMO C#CCN(C(=O)c1ccc(C[N@H+](CC)CCC)cc1)C1CC1 ZINC000274009000 378763288 /nfs/dbraw/zinc/76/32/88/378763288.db2.gz GINXVPPEGZXMGT-UHFFFAOYSA-N 1 1 298.430 3.156 20 30 CGEDMO C#CC[N@H+](Cc1ccc(SC(=O)N(C)C)cc1)C1CC1 ZINC000274039243 378768728 /nfs/dbraw/zinc/76/87/28/378768728.db2.gz FAYNCDTVEVAYGN-UHFFFAOYSA-N 1 1 288.416 3.058 20 30 CGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCC2(CCC2)C1 ZINC000348166020 378819296 /nfs/dbraw/zinc/81/92/96/378819296.db2.gz GPRQTWOCXUHYLT-AWEZNQCLSA-N 1 1 297.402 3.151 20 30 CGEDMO C=C(C)C[N@H+](Cc1cn2cccnc2n1)Cc1ccccc1 ZINC000348205981 378839608 /nfs/dbraw/zinc/83/96/08/378839608.db2.gz MRIPJNPYDGUZMU-UHFFFAOYSA-N 1 1 292.386 3.308 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cn2cccnc2n1)Cc1ccccc1 ZINC000348205981 378839611 /nfs/dbraw/zinc/83/96/11/378839611.db2.gz MRIPJNPYDGUZMU-UHFFFAOYSA-N 1 1 292.386 3.308 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1c2c(nn1C)CCCC2 ZINC000638917747 378952717 /nfs/dbraw/zinc/95/27/17/378952717.db2.gz HYZMSDKYEPCPCA-UHFFFAOYSA-N 1 1 299.418 3.123 20 30 CGEDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1CC(C)(C)CCC#N ZINC000348546433 378986353 /nfs/dbraw/zinc/98/63/53/378986353.db2.gz MTZRJWQOYJJLPA-HUUCEWRRSA-N 1 1 266.429 3.332 20 30 CGEDMO N#Cc1ccc(OCC[N@@H+]2CC[C@H](CC(F)(F)F)C2)cc1 ZINC000278578668 194053542 /nfs/dbraw/zinc/05/35/42/194053542.db2.gz CPJXEIXOHHFNNM-CYBMUJFWSA-N 1 1 298.308 3.211 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000276902814 379018163 /nfs/dbraw/zinc/01/81/63/379018163.db2.gz DMWTXCYCEWUESK-QGZVFWFLSA-N 1 1 250.345 3.203 20 30 CGEDMO CC[C@]1(C)CC[N@@H+](Cc2ccc(C#N)cc2OC)C1 ZINC000347238016 218164855 /nfs/dbraw/zinc/16/48/55/218164855.db2.gz AFRFLCPYEZXYII-MRXNPFEDSA-N 1 1 258.365 3.189 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccc2ccc(F)c(F)c2n1 ZINC000639101062 379025730 /nfs/dbraw/zinc/02/57/30/379025730.db2.gz UUNSZBUBAIEVRS-UHFFFAOYSA-N 1 1 292.329 3.147 20 30 CGEDMO C[C@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000348837911 379078929 /nfs/dbraw/zinc/07/89/29/379078929.db2.gz LBGVTNNAXJSRLB-KSSFIOAISA-N 1 1 279.387 3.480 20 30 CGEDMO C[C@@H]1C[C@H](c2ccccc2)[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000348837912 379079088 /nfs/dbraw/zinc/07/90/88/379079088.db2.gz LBGVTNNAXJSRLB-RDTXWAMCSA-N 1 1 279.387 3.480 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H](OC)[C@@H](C)CC ZINC000639162918 379081566 /nfs/dbraw/zinc/08/15/66/379081566.db2.gz UQPPSKFPYMINFC-WMLDXEAASA-N 1 1 295.423 3.211 20 30 CGEDMO Cc1cc(C[N@@H+](Cc2ccccn2)C2CC2)ccc1C#N ZINC000349252270 379207785 /nfs/dbraw/zinc/20/77/85/379207785.db2.gz SMACIDFLYZAFFS-UHFFFAOYSA-N 1 1 277.371 3.426 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cnc(CCOC)s2)C1 ZINC000639309077 379259582 /nfs/dbraw/zinc/25/95/82/379259582.db2.gz KHQAWHHAUWTGDO-ZDUSSCGKSA-N 1 1 280.437 3.120 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000374001812 379360250 /nfs/dbraw/zinc/36/02/50/379360250.db2.gz IUFDUSDPGNISEW-OAHLLOKOSA-N 1 1 252.317 3.141 20 30 CGEDMO C=CC[NH+]1CCC(N[C@@H](C)c2cc(C)oc2C)CC1 ZINC000278377245 379365827 /nfs/dbraw/zinc/36/58/27/379365827.db2.gz CTSPWTXMLNVENP-ZDUSSCGKSA-N 1 1 262.397 3.197 20 30 CGEDMO C=C(C)C[N@@H+](CC[C@@H]1CCOC1=O)Cc1ccccc1 ZINC000279232864 379417374 /nfs/dbraw/zinc/41/73/74/379417374.db2.gz DZOZEQYDZYKVQX-MRXNPFEDSA-N 1 1 273.376 3.018 20 30 CGEDMO Cn1cc(C[C@@H]2CC[N@@H+](CCCCC(C)(C)C#N)C2)cn1 ZINC000375404387 379497369 /nfs/dbraw/zinc/49/73/69/379497369.db2.gz MEUBYLQSLFEFOS-HNNXBMFYSA-N 1 1 288.439 3.005 20 30 CGEDMO N#CC1(CCC[N@H+]2CCC3(CCCC3)C2)CCOCC1 ZINC000375595641 379502694 /nfs/dbraw/zinc/50/26/94/379502694.db2.gz HYMFRHAWMDYPCR-UHFFFAOYSA-N 1 1 276.424 3.353 20 30 CGEDMO C=CCC[C@@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1ccco1 ZINC000375812007 379512107 /nfs/dbraw/zinc/51/21/07/379512107.db2.gz XINGTSPAJRQWKB-ZIAGYGMSSA-N 1 1 271.364 3.157 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000351101623 379645703 /nfs/dbraw/zinc/64/57/03/379645703.db2.gz OJKMCABPINGSHR-AWEZNQCLSA-N 1 1 296.773 3.092 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCc2nnn(C3CC(C)C3)c2C1 ZINC000640038400 379698521 /nfs/dbraw/zinc/69/85/21/379698521.db2.gz AJUNBOFVCNXHGI-SLTAFYQDSA-N 1 1 288.439 3.352 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000351563319 379727477 /nfs/dbraw/zinc/72/74/77/379727477.db2.gz NDHMKEUGQJLQDT-HZPDHXFCSA-N 1 1 259.393 3.111 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C(C)C ZINC000351632191 379734375 /nfs/dbraw/zinc/73/43/75/379734375.db2.gz ITBNALUEOQNBIL-INIZCTEOSA-N 1 1 265.372 3.363 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCCCNc1ccc(C#N)nc1 ZINC000267369295 190324439 /nfs/dbraw/zinc/32/44/39/190324439.db2.gz JQIFXEMACMLSTC-CQSZACIVSA-N 1 1 272.396 3.020 20 30 CGEDMO Cc1cc(C[NH2+]C[C@H](C)C#N)sc1Br ZINC000389296587 379896771 /nfs/dbraw/zinc/89/67/71/379896771.db2.gz KIKSIDKILODZPO-SSDOTTSWSA-N 1 1 273.199 3.068 20 30 CGEDMO C=CCCC[C@@H](C)n1cc(C[NH+](CC)CC)nn1 ZINC000641235311 379971319 /nfs/dbraw/zinc/97/13/19/379971319.db2.gz ZYHRLICITYZNDM-CYBMUJFWSA-N 1 1 250.390 3.037 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1F)C(C1CC1)C1CC1 ZINC000352872851 380014842 /nfs/dbraw/zinc/01/48/42/380014842.db2.gz XHIUUGUNLUDCFO-UHFFFAOYSA-N 1 1 258.340 3.318 20 30 CGEDMO CCC[N@H+](C)C[C@H]1CCN(CCCCC(C)(C)C#N)C1 ZINC000409446527 380036062 /nfs/dbraw/zinc/03/60/62/380036062.db2.gz XZWPLSCVMKVOSP-MRXNPFEDSA-N 1 1 279.472 3.370 20 30 CGEDMO CCC[N@@H+](C)C[C@H]1CCN(CCCCC(C)(C)C#N)C1 ZINC000409446527 380036070 /nfs/dbraw/zinc/03/60/70/380036070.db2.gz XZWPLSCVMKVOSP-MRXNPFEDSA-N 1 1 279.472 3.370 20 30 CGEDMO CC(C)CO[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000409446021 380032748 /nfs/dbraw/zinc/03/27/48/380032748.db2.gz BDFCEHJMXVKRGX-OAHLLOKOSA-N 1 1 266.429 3.453 20 30 CGEDMO C=C(C)C[N@H+](CCSC)Cc1cnn(C(C)C)c1 ZINC000352948687 380053236 /nfs/dbraw/zinc/05/32/36/380053236.db2.gz LGQVTOHFVUONMN-UHFFFAOYSA-N 1 1 267.442 3.205 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1ccc2c[nH]nc2c1 ZINC000352931830 380045855 /nfs/dbraw/zinc/04/58/55/380045855.db2.gz OFHXUMAULVARCY-UHFFFAOYSA-N 1 1 281.359 3.387 20 30 CGEDMO N#CC1(CC[N@H+]2CCC[C@@H](n3cccn3)C2)CCCCC1 ZINC000411231808 380136652 /nfs/dbraw/zinc/13/66/52/380136652.db2.gz WUYJUFOZSOFNJJ-MRXNPFEDSA-N 1 1 286.423 3.384 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000411313469 380139427 /nfs/dbraw/zinc/13/94/27/380139427.db2.gz XTPNYALVIGKUQV-AEFFLSMTSA-N 1 1 286.419 3.402 20 30 CGEDMO C[N@@H+](CCc1ccncc1)CCC1(C#N)CCCCC1 ZINC000411435744 380146651 /nfs/dbraw/zinc/14/66/51/380146651.db2.gz CTLJKWKSRJVABP-UHFFFAOYSA-N 1 1 271.408 3.420 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CCC1(O)CCC1 ZINC000411116586 380129554 /nfs/dbraw/zinc/12/95/54/380129554.db2.gz YPTFAAKDPBQDEF-IAGOWNOFSA-N 1 1 284.403 3.063 20 30 CGEDMO C[C@@H](CCC#N)[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000411141476 380132347 /nfs/dbraw/zinc/13/23/47/380132347.db2.gz ZARBORVHQSWUBA-ZDUSSCGKSA-N 1 1 256.349 3.174 20 30 CGEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)CCC#N ZINC000411194038 380134637 /nfs/dbraw/zinc/13/46/37/380134637.db2.gz PDPDPXQLSXXNDV-CYBMUJFWSA-N 1 1 273.336 3.275 20 30 CGEDMO C[C@H]1CC[C@](CO)([N@@H+](C)CCC2(C#N)CCCCC2)C1 ZINC000411574543 380151779 /nfs/dbraw/zinc/15/17/79/380151779.db2.gz WEFHJIRCTUGSJG-RDJZCZTQSA-N 1 1 278.440 3.333 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000643391193 380303804 /nfs/dbraw/zinc/30/38/04/380303804.db2.gz WWWIFSLLLOSOHG-HKUYNNGSSA-N 1 1 285.431 3.106 20 30 CGEDMO CC[N@@H+](CCOc1ccc(C#N)cc1)CCC1CC1 ZINC000355036809 380568873 /nfs/dbraw/zinc/56/88/73/380568873.db2.gz OZJOMTPGIVOVBG-UHFFFAOYSA-N 1 1 258.365 3.059 20 30 CGEDMO CC[N@H+](CCC(=O)Nc1cccc(C#N)c1)CCC1CC1 ZINC000355040091 380569118 /nfs/dbraw/zinc/56/91/18/380569118.db2.gz ULDCXILUULPBTC-UHFFFAOYSA-N 1 1 285.391 3.009 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000355141865 380596743 /nfs/dbraw/zinc/59/67/43/380596743.db2.gz YOWIMCLFHFXFNJ-SJORKVTESA-N 1 1 287.403 3.252 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCSC[C@@H]1C1CCC1 ZINC000418128445 380707906 /nfs/dbraw/zinc/70/79/06/380707906.db2.gz QJAJYFRGIVRNDW-MRXNPFEDSA-N 1 1 272.417 3.276 20 30 CGEDMO C[C@@H]1[C@H](C)C[N@@H+](CCCC2(C#N)CCOCC2)[C@H]1C ZINC000419352753 380811405 /nfs/dbraw/zinc/81/14/05/380811405.db2.gz KJAYMLLVWOAAFH-KFWWJZLASA-N 1 1 264.413 3.063 20 30 CGEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](c3ccccc3)C2(C)C)C1=O ZINC000421019052 380870193 /nfs/dbraw/zinc/87/01/93/380870193.db2.gz LVHUDAVRAQHMDU-DLBZAZTESA-N 1 1 298.430 3.041 20 30 CGEDMO CCCOc1ncccc1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421324780 380874569 /nfs/dbraw/zinc/87/45/69/380874569.db2.gz KNJSAGVCSGEECA-UHFFFAOYSA-N 1 1 299.349 3.171 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1COc1cccnc1C ZINC000419395490 380827269 /nfs/dbraw/zinc/82/72/69/380827269.db2.gz UNIDPCJPZHCVTC-OAHLLOKOSA-N 1 1 260.381 3.199 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](CC(F)(F)F)C2)C1 ZINC000420957113 380861792 /nfs/dbraw/zinc/86/17/92/380861792.db2.gz ZEWPZOULANYTGO-IJLUTSLNSA-N 1 1 260.303 3.343 20 30 CGEDMO CC[C@@H]1CCCC[N@H+]1CCNCc1ccc(C#N)c(F)c1 ZINC000421362393 380897295 /nfs/dbraw/zinc/89/72/95/380897295.db2.gz JCZUPFKDQLZLPX-MRXNPFEDSA-N 1 1 289.398 3.051 20 30 CGEDMO CC[C@@H]1CCCCN1CC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421362393 380897299 /nfs/dbraw/zinc/89/72/99/380897299.db2.gz JCZUPFKDQLZLPX-MRXNPFEDSA-N 1 1 289.398 3.051 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@H](O)CC23CCC3)c1 ZINC000421378735 380921161 /nfs/dbraw/zinc/92/11/61/380921161.db2.gz WBBGTQKERYRPJO-INIZCTEOSA-N 1 1 287.403 3.131 20 30 CGEDMO CC[C@@H]1C[C@@H](C[N@@H+](C)Cc2cccc(C#N)c2)CCO1 ZINC000356915038 380937790 /nfs/dbraw/zinc/93/77/90/380937790.db2.gz IUFPFBYNFOGHID-DLBZAZTESA-N 1 1 272.392 3.195 20 30 CGEDMO C[C@H](CCNc1cccnc1C#N)[N@@H+](C)Cc1ccccc1 ZINC000357502814 381183852 /nfs/dbraw/zinc/18/38/52/381183852.db2.gz LYZKCLOLNJRMEB-OAHLLOKOSA-N 1 1 294.402 3.276 20 30 CGEDMO C=CCC1(C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)CCC1 ZINC000358497074 381311854 /nfs/dbraw/zinc/31/18/54/381311854.db2.gz NTKUKAZXZRNLII-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(CC)C[N@H+]1Cc2ccccc2[C@H](C(=O)OCC)C1 ZINC000358616995 381319221 /nfs/dbraw/zinc/31/92/21/381319221.db2.gz QVDGMFXKFPGQFR-MRXNPFEDSA-N 1 1 273.376 3.115 20 30 CGEDMO Cc1ccc(C#N)c(N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)n1 ZINC000359465266 381347812 /nfs/dbraw/zinc/34/78/12/381347812.db2.gz INEJJZUWTPBBKU-HLLBOEOZSA-N 1 1 298.434 3.103 20 30 CGEDMO C[C@@H]1COc2ccccc2C[N@@H+]1Cc1cccc(C#N)c1 ZINC000359848449 381372807 /nfs/dbraw/zinc/37/28/07/381372807.db2.gz PQHPMBQIMWHEOK-CQSZACIVSA-N 1 1 278.355 3.341 20 30 CGEDMO C[C@@H]1COc2ccccc2C[N@H+]1Cc1cccc(C#N)c1 ZINC000359848449 381372810 /nfs/dbraw/zinc/37/28/10/381372810.db2.gz PQHPMBQIMWHEOK-CQSZACIVSA-N 1 1 278.355 3.341 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](C)[C@H]2C)c1C ZINC000361338998 381705873 /nfs/dbraw/zinc/70/58/73/381705873.db2.gz ZBUFTLKTORRTGX-TZMCWYRMSA-N 1 1 274.408 3.204 20 30 CGEDMO COCC[N@@H+](Cc1cc(C#N)cs1)[C@H]1CC[C@@H](C)C1 ZINC000361626149 381844650 /nfs/dbraw/zinc/84/46/50/381844650.db2.gz BMNNVZGLHFBDDV-OCCSQVGLSA-N 1 1 278.421 3.257 20 30 CGEDMO CC1=C(C)C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000361603423 381831529 /nfs/dbraw/zinc/83/15/29/381831529.db2.gz MTSPSPYRMSGHCU-UHFFFAOYSA-N 1 1 294.358 3.150 20 30 CGEDMO CC1=C(C)C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000361603423 381831533 /nfs/dbraw/zinc/83/15/33/381831533.db2.gz MTSPSPYRMSGHCU-UHFFFAOYSA-N 1 1 294.358 3.150 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(-n2ccnc2)cc1C ZINC000361844612 381872328 /nfs/dbraw/zinc/87/23/28/381872328.db2.gz WUFPZEFUOBKOHQ-UHFFFAOYSA-N 1 1 255.365 3.189 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)CCOc1cccc(F)c1 ZINC000362170827 381895698 /nfs/dbraw/zinc/89/56/98/381895698.db2.gz SZJANKGNRABPTD-UHFFFAOYSA-N 1 1 278.371 3.466 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)CCOc1cccc(F)c1 ZINC000362170827 381895705 /nfs/dbraw/zinc/89/57/05/381895705.db2.gz SZJANKGNRABPTD-UHFFFAOYSA-N 1 1 278.371 3.466 20 30 CGEDMO CCC1(CC)C[N@H+](C[C@H](C#N)CCC#N)CCS1 ZINC000362247121 381918361 /nfs/dbraw/zinc/91/83/61/381918361.db2.gz ZCIQJYAVPHVEQX-ZDUSSCGKSA-N 1 1 265.426 3.038 20 30 CGEDMO CCC1(CC)C[N@@H+](C[C@H](C#N)CCC#N)CCS1 ZINC000362247121 381918367 /nfs/dbraw/zinc/91/83/67/381918367.db2.gz ZCIQJYAVPHVEQX-ZDUSSCGKSA-N 1 1 265.426 3.038 20 30 CGEDMO CC#CCCCC(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000362302579 381937453 /nfs/dbraw/zinc/93/74/53/381937453.db2.gz ZPUCFPQTCYSVJQ-IXDOHACOSA-N 1 1 290.451 3.044 20 30 CGEDMO C[N@@H+]1Cc2ccccc2[C@H](Nc2ccc(Cl)c(C#N)n2)C1 ZINC000363449666 382222332 /nfs/dbraw/zinc/22/23/32/382222332.db2.gz MINDEUKHWCYAQC-OAHLLOKOSA-N 1 1 298.777 3.205 20 30 CGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCCC23CCCCC3)cc1 ZINC000363162112 382188511 /nfs/dbraw/zinc/18/85/11/382188511.db2.gz FZIIDGDHCZNZCN-KRWDZBQOSA-N 1 1 284.403 3.390 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000368998975 382385094 /nfs/dbraw/zinc/38/50/94/382385094.db2.gz CPSGJMWOBMJHGW-HNNXBMFYSA-N 1 1 286.423 3.376 20 30 CGEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2F)C1(C)C ZINC000353773379 220321681 /nfs/dbraw/zinc/32/16/81/220321681.db2.gz BRTLMLWYBHOMDB-CVEARBPZSA-N 1 1 290.382 3.333 20 30 CGEDMO COc1cncc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c1 ZINC000425528951 533127489 /nfs/dbraw/zinc/12/74/89/533127489.db2.gz ABYJQDGFJNHOAU-CYBMUJFWSA-N 1 1 281.359 3.155 20 30 CGEDMO CCC(=O)CC[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000190202239 130073137 /nfs/dbraw/zinc/07/31/37/130073137.db2.gz XQHTUVSVSGGQHG-UHFFFAOYSA-N 1 1 258.365 3.138 20 30 CGEDMO Cn1cc(C[N@H+](Cc2ccc(F)cc2)CC2CC2)cc1C#N ZINC000191375764 130229418 /nfs/dbraw/zinc/22/94/18/130229418.db2.gz QPPNBTMYUAAZHZ-UHFFFAOYSA-N 1 1 297.377 3.448 20 30 CGEDMO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191385833 130230526 /nfs/dbraw/zinc/23/05/26/130230526.db2.gz MWYZJIWBCSDZFR-XJKSGUPXSA-N 1 1 297.377 3.414 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H]1c1nc(C(=O)OCC)cs1 ZINC000191447394 130237954 /nfs/dbraw/zinc/23/79/54/130237954.db2.gz PNHLUIOZPRIMJY-ZDUSSCGKSA-N 1 1 294.420 3.423 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]1c1nc(C(=O)OCC)cs1 ZINC000191447394 130237957 /nfs/dbraw/zinc/23/79/57/130237957.db2.gz PNHLUIOZPRIMJY-ZDUSSCGKSA-N 1 1 294.420 3.423 20 30 CGEDMO CCC[N@@H+](CCOc1cccc(C#N)c1)CC1CC1 ZINC000048331357 391997305 /nfs/dbraw/zinc/99/73/05/391997305.db2.gz KUVBZQJOLUHLGS-UHFFFAOYSA-N 1 1 258.365 3.059 20 30 CGEDMO C[N@@H+](CC(C)(C)CCC#N)[C@H]1CCN(c2ccccc2)C1=O ZINC000093104830 392235958 /nfs/dbraw/zinc/23/59/58/392235958.db2.gz ZHOPOMDWBNKKNF-INIZCTEOSA-N 1 1 299.418 3.054 20 30 CGEDMO CC(C)(CCC#N)C[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000093768722 392239141 /nfs/dbraw/zinc/23/91/41/392239141.db2.gz BUNCBOIQBRCRLE-CQSZACIVSA-N 1 1 278.421 3.451 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000093768722 392239145 /nfs/dbraw/zinc/23/91/45/392239145.db2.gz BUNCBOIQBRCRLE-CQSZACIVSA-N 1 1 278.421 3.451 20 30 CGEDMO N#Cc1ccc(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)o1 ZINC000093665886 392239423 /nfs/dbraw/zinc/23/94/23/392239423.db2.gz NVGNZWDAGDOBLK-OAHLLOKOSA-N 1 1 274.364 3.075 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)nn1)CC1CCCCC1 ZINC000282632458 392293549 /nfs/dbraw/zinc/29/35/49/392293549.db2.gz AXXLPXJSEAOAGQ-UHFFFAOYSA-N 1 1 275.396 3.054 20 30 CGEDMO COc1cccc(C[N@@H+](C)Cc2ccc(C#N)c(F)c2)c1 ZINC000361690494 392296308 /nfs/dbraw/zinc/29/63/08/392296308.db2.gz XYTPNFROSFZXDJ-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO CC#CC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000282978133 392298775 /nfs/dbraw/zinc/29/87/75/392298775.db2.gz VTJUFALBHVVNCM-UHFFFAOYSA-N 1 1 281.359 3.017 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1ccc(SC(=O)N(C)C)cc1 ZINC000285601573 392327038 /nfs/dbraw/zinc/32/70/38/392327038.db2.gz BWCZSPASXHLQDX-UHFFFAOYSA-N 1 1 290.432 3.304 20 30 CGEDMO C[C@H](c1cccc(O)c1)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000109781034 392372585 /nfs/dbraw/zinc/37/25/85/392372585.db2.gz LBERPYFCVXSSIH-CQSZACIVSA-N 1 1 296.370 3.336 20 30 CGEDMO C[C@H](O)C[N@@H+](Cc1cccc(C#N)c1)C1CCCCC1 ZINC000263738122 131319596 /nfs/dbraw/zinc/31/95/96/131319596.db2.gz GHIZYDNSOUHFPA-AWEZNQCLSA-N 1 1 272.392 3.074 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(COCCOC)cc1 ZINC000289104517 392413571 /nfs/dbraw/zinc/41/35/71/392413571.db2.gz MIXWBCROLZNMDG-UHFFFAOYSA-N 1 1 277.408 3.248 20 30 CGEDMO Cc1cnn([C@@H]2CC[N@@H+](CC#Cc3cccc(Cl)c3)C2)c1 ZINC000289924849 392436408 /nfs/dbraw/zinc/43/64/08/392436408.db2.gz OTMXAEXJNUBDFY-QGZVFWFLSA-N 1 1 299.805 3.143 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1cccc(F)c1 ZINC000121097223 392409011 /nfs/dbraw/zinc/40/90/11/392409011.db2.gz GIKJGGGIXGGQJN-GFCCVEGCSA-N 1 1 264.344 3.051 20 30 CGEDMO C=C(C)CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154744407 392536598 /nfs/dbraw/zinc/53/65/98/392536598.db2.gz NONHOVAXTZKORY-MRXNPFEDSA-N 1 1 250.430 3.006 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](Cc3ccncc3)C2)cc1 ZINC000371680073 392545332 /nfs/dbraw/zinc/54/53/32/392545332.db2.gz HINLIMXLGLDQJA-GOSISDBHSA-N 1 1 277.371 3.018 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC(C)=C(c2ccco2)C1 ZINC000374512896 392679720 /nfs/dbraw/zinc/67/97/20/392679720.db2.gz IKTRHUAMJXOGAO-CQSZACIVSA-N 1 1 261.365 3.086 20 30 CGEDMO C=CCCCC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000178921549 392685638 /nfs/dbraw/zinc/68/56/38/392685638.db2.gz ZDWFRHHYDNOYOW-UHFFFAOYSA-N 1 1 288.435 3.370 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C#N)o1)[C@H]1CCc2ccccc21 ZINC000179204459 392690416 /nfs/dbraw/zinc/69/04/16/392690416.db2.gz LLBWFZWNYMRNRE-SFHVURJKSA-N 1 1 276.339 3.274 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(C#N)o1)[C@H]1CCc2ccccc21 ZINC000179204459 392690420 /nfs/dbraw/zinc/69/04/20/392690420.db2.gz LLBWFZWNYMRNRE-SFHVURJKSA-N 1 1 276.339 3.274 20 30 CGEDMO CC(C)(C#N)CCCN1CC[NH+](CCc2ccccc2)CC1 ZINC000174813655 392645776 /nfs/dbraw/zinc/64/57/76/392645776.db2.gz FWPKNZLLHAQJOJ-UHFFFAOYSA-N 1 1 299.462 3.177 20 30 CGEDMO C[N@@H+](CCCC(C)(C)C#N)CCOc1ccccc1 ZINC000174808546 392645804 /nfs/dbraw/zinc/64/58/04/392645804.db2.gz VFOHXVLHFUHKFR-UHFFFAOYSA-N 1 1 260.381 3.327 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000181256632 392726734 /nfs/dbraw/zinc/72/67/34/392726734.db2.gz NYDADXUYOMGFKV-HNNXBMFYSA-N 1 1 294.464 3.459 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)s1 ZINC000375299931 392762653 /nfs/dbraw/zinc/76/26/53/392762653.db2.gz QUCFXZXPKPCDDU-CYBMUJFWSA-N 1 1 276.405 3.011 20 30 CGEDMO Cc1cnc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)s1 ZINC000180137003 392707416 /nfs/dbraw/zinc/70/74/16/392707416.db2.gz KKNKOOZOFOBHBL-NSHDSACASA-N 1 1 257.362 3.174 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H](O)COc1cccc2ccccc21 ZINC000181246819 392723281 /nfs/dbraw/zinc/72/32/81/392723281.db2.gz JORCDMVUZXDCJL-MRXNPFEDSA-N 1 1 285.387 3.087 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@@H](C)c1ccccn1 ZINC000186314912 392782333 /nfs/dbraw/zinc/78/23/33/392782333.db2.gz BECJRVSNBGBEOI-AWEZNQCLSA-N 1 1 265.360 3.455 20 30 CGEDMO CCc1ccc([C@@H](COC)[NH2+]Cc2ccc(C#N)cc2C)o1 ZINC000186328115 392782971 /nfs/dbraw/zinc/78/29/71/392782971.db2.gz XQCFZZUSTUQJDW-QGZVFWFLSA-N 1 1 298.386 3.499 20 30 CGEDMO CC(C)N1CCC([NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000336004027 392828180 /nfs/dbraw/zinc/82/81/80/392828180.db2.gz NMVTYSCFBQZHIA-SFHVURJKSA-N 1 1 283.419 3.008 20 30 CGEDMO N#CC1(C[NH2+]Cc2cccc(OC3CCCC3)c2)CC1 ZINC000519741083 392888875 /nfs/dbraw/zinc/88/88/75/392888875.db2.gz FFMXDTFLSPFCDK-UHFFFAOYSA-N 1 1 270.376 3.401 20 30 CGEDMO COc1cncc(/C=C\CC[N@@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000517027578 392866973 /nfs/dbraw/zinc/86/69/73/392866973.db2.gz MXWDMPJRGFFNFL-MFBWXBCUSA-N 1 1 285.391 3.118 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000524756896 392935976 /nfs/dbraw/zinc/93/59/76/392935976.db2.gz PMGFAWXBSVZLRA-XQQFMLRXSA-N 1 1 260.406 3.445 20 30 CGEDMO CCC(C)(C)[N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459383017 392941908 /nfs/dbraw/zinc/94/19/08/392941908.db2.gz UGWQABZLSJOXHP-UHFFFAOYSA-N 1 1 261.325 3.087 20 30 CGEDMO CCC(C)(C)[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459383017 392941913 /nfs/dbraw/zinc/94/19/13/392941913.db2.gz UGWQABZLSJOXHP-UHFFFAOYSA-N 1 1 261.325 3.087 20 30 CGEDMO C[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)[C@@H](C)[C@@H](C)O1 ZINC000411609973 392981824 /nfs/dbraw/zinc/98/18/24/392981824.db2.gz MHCMLKRUIZLTDJ-QLFBSQMISA-N 1 1 264.413 3.348 20 30 CGEDMO COC(=O)[C@@H](C)[N@H+](CCC1(C#N)CCCCC1)C1CCC1 ZINC000411615512 392981963 /nfs/dbraw/zinc/98/19/63/392981963.db2.gz BXCMLLFVYLAUDO-CQSZACIVSA-N 1 1 292.423 3.267 20 30 CGEDMO COC(=O)[C@@H](C)[N@@H+](CCC1(C#N)CCCCC1)C1CCC1 ZINC000411615512 392981970 /nfs/dbraw/zinc/98/19/70/392981970.db2.gz BXCMLLFVYLAUDO-CQSZACIVSA-N 1 1 292.423 3.267 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)C[C@@H]1CCCC(F)(F)C1 ZINC000411653556 392983404 /nfs/dbraw/zinc/98/34/04/392983404.db2.gz ZCDSLJMGMASDRQ-CQSZACIVSA-N 1 1 274.399 3.252 20 30 CGEDMO C[C@@H](CO)[N@@H+](CCC1(C#N)CCCCC1)CC1CCC1 ZINC000411669861 392984092 /nfs/dbraw/zinc/98/40/92/392984092.db2.gz QXNRILQCKDLRGQ-HNNXBMFYSA-N 1 1 278.440 3.333 20 30 CGEDMO C=CC[C@@H]1[N@H+](CCC2(O)CCC2)CCCC1(C)C ZINC000411648768 392984585 /nfs/dbraw/zinc/98/45/85/392984585.db2.gz SYZMRGWXZWRFIF-AWEZNQCLSA-N 1 1 251.414 3.358 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000411657311 392984939 /nfs/dbraw/zinc/98/49/39/392984939.db2.gz GJNSZZMOOODQEC-ZBFHGGJFSA-N 1 1 290.382 3.499 20 30 CGEDMO N#CCCOCC[N@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000411978082 392993215 /nfs/dbraw/zinc/99/32/15/392993215.db2.gz GRAUKOKGICEUHV-QGZVFWFLSA-N 1 1 284.403 3.186 20 30 CGEDMO CC[C@H](C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1)OC ZINC000412977884 393013727 /nfs/dbraw/zinc/01/37/27/393013727.db2.gz NZWGDHCDLSUMCM-IKGGRYGDSA-N 1 1 272.392 3.183 20 30 CGEDMO CC[C@H](C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1)OC ZINC000412977887 393013988 /nfs/dbraw/zinc/01/39/88/393013988.db2.gz NZWGDHCDLSUMCM-ZACQAIPSSA-N 1 1 272.392 3.183 20 30 CGEDMO CC[N@@H+](CC1(C#N)CC1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000343317511 393026114 /nfs/dbraw/zinc/02/61/14/393026114.db2.gz VPPHFVGIMMQOGR-AWEZNQCLSA-N 1 1 272.392 3.252 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc2cc(Cl)cnc2o1 ZINC000648539172 393093273 /nfs/dbraw/zinc/09/32/73/393093273.db2.gz SUJOVEMQMCJMEZ-UHFFFAOYSA-N 1 1 250.729 3.489 20 30 CGEDMO C=C(C)C[N@@H+](C/C=C/c1ccncc1)Cc1ccc(CO)o1 ZINC000348638967 393126760 /nfs/dbraw/zinc/12/67/60/393126760.db2.gz CKBYBZMAXNPMOO-ONEGZZNKSA-N 1 1 298.386 3.258 20 30 CGEDMO C[C@H]1C[N@H+](CC#Cc2ccc(F)cc2)CC2(CCCC2)O1 ZINC000646134664 393222145 /nfs/dbraw/zinc/22/21/45/393222145.db2.gz PIEKBSXDCAJRRY-HNNXBMFYSA-N 1 1 287.378 3.211 20 30 CGEDMO C[C@H]1C[N@@H+](CC#Cc2ccc(F)cc2)CC2(CCCC2)O1 ZINC000646134664 393222150 /nfs/dbraw/zinc/22/21/50/393222150.db2.gz PIEKBSXDCAJRRY-HNNXBMFYSA-N 1 1 287.378 3.211 20 30 CGEDMO C=CCN1CC[C@@H]([N@H+](CC)Cc2ccc(Cl)s2)C1=O ZINC000281899365 393366781 /nfs/dbraw/zinc/36/67/81/393366781.db2.gz FPHCADWKHIKLQX-GFCCVEGCSA-N 1 1 298.839 3.010 20 30 CGEDMO C=CCN1CC[C@@H]([N@@H+](CC)Cc2ccc(Cl)s2)C1=O ZINC000281899365 393366785 /nfs/dbraw/zinc/36/67/85/393366785.db2.gz FPHCADWKHIKLQX-GFCCVEGCSA-N 1 1 298.839 3.010 20 30 CGEDMO C=CC[N@H+](CCc1cncc(C)n1)Cc1ccc(OC)cc1 ZINC000649492128 393451945 /nfs/dbraw/zinc/45/19/45/393451945.db2.gz LVMRAYFRLVNMEN-UHFFFAOYSA-N 1 1 297.402 3.024 20 30 CGEDMO CCCC[C@@H](C)[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000356510628 393467897 /nfs/dbraw/zinc/46/78/97/393467897.db2.gz WRVIWKQHZFGREI-CYBMUJFWSA-N 1 1 270.380 3.216 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)Cc2ccccc2O1 ZINC000429110726 393468513 /nfs/dbraw/zinc/46/85/13/393468513.db2.gz AZNXJUYRAGQAOI-CQSZACIVSA-N 1 1 278.355 3.341 20 30 CGEDMO CC(C)(C)C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000488681024 393544664 /nfs/dbraw/zinc/54/46/64/393544664.db2.gz FXRSMNXFMRKSDJ-INIZCTEOSA-N 1 1 299.418 3.397 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000359071578 393534554 /nfs/dbraw/zinc/53/45/54/393534554.db2.gz LNUOSSYGCNHOMB-NVXWUHKLSA-N 1 1 286.419 3.294 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1Cl ZINC000489469057 393599547 /nfs/dbraw/zinc/59/95/47/393599547.db2.gz CPYPHZWAVVGUEB-ZIAGYGMSSA-N 1 1 295.810 3.120 20 30 CGEDMO C[C@H]([NH2+]Cc1cccc(C#N)c1F)c1cncc(F)c1 ZINC000361133841 393680587 /nfs/dbraw/zinc/68/05/87/393680587.db2.gz ZWOIFYOAXCVKBA-JTQLQIEISA-N 1 1 273.286 3.082 20 30 CGEDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc(C(F)(F)F)c(C#N)c1 ZINC000443514366 393761098 /nfs/dbraw/zinc/76/10/98/393761098.db2.gz FSQWGRLMBKURPL-QWRGUYRKSA-N 1 1 297.324 3.106 20 30 CGEDMO CC1(C)CCC[N@@H+](CCNc2ccc(F)cc2C#N)C1 ZINC000443954227 393778271 /nfs/dbraw/zinc/77/82/71/393778271.db2.gz BSKNVXKDUWSCKL-UHFFFAOYSA-N 1 1 275.371 3.231 20 30 CGEDMO Cc1cc(CNCC[N@@H+]2CCCC(C)(C)C2)ccc1C#N ZINC000444009018 393783045 /nfs/dbraw/zinc/78/30/45/393783045.db2.gz MPLDPZQHBWWUSN-UHFFFAOYSA-N 1 1 285.435 3.078 20 30 CGEDMO Cc1cc(CNCC[N@H+]2CCCC(C)(C)C2)ccc1C#N ZINC000444009018 393783049 /nfs/dbraw/zinc/78/30/49/393783049.db2.gz MPLDPZQHBWWUSN-UHFFFAOYSA-N 1 1 285.435 3.078 20 30 CGEDMO N#Cc1csc(C[N@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)c1 ZINC000449541747 393891480 /nfs/dbraw/zinc/89/14/80/393891480.db2.gz OUJLTHORWXWQSM-GJZGRUSLSA-N 1 1 258.390 3.240 20 30 CGEDMO N#Cc1csc(C[N@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)c1 ZINC000449541749 393891512 /nfs/dbraw/zinc/89/15/12/393891512.db2.gz OUJLTHORWXWQSM-LSDHHAIUSA-N 1 1 258.390 3.240 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)[C@@H]1C(C)C ZINC000449559765 393902603 /nfs/dbraw/zinc/90/26/03/393902603.db2.gz ZAPKCHLMYQXIEJ-JKSUJKDBSA-N 1 1 259.397 3.009 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CC3(CCCC3)[C@@H]2C(C)C)nn1 ZINC000668228561 542994808 /nfs/dbraw/zinc/99/48/08/542994808.db2.gz MHYXOBBXBWDJNI-INIZCTEOSA-N 1 1 288.439 3.255 20 30 CGEDMO C=CCCn1cc(C[N@H+]2CC3(CCCC3)[C@@H]2C(C)C)nn1 ZINC000668228561 542994811 /nfs/dbraw/zinc/99/48/11/542994811.db2.gz MHYXOBBXBWDJNI-INIZCTEOSA-N 1 1 288.439 3.255 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)nn2C)C1 ZINC000668494405 543021036 /nfs/dbraw/zinc/02/10/36/543021036.db2.gz ZDSNBZPHDLFBQI-NSHDSACASA-N 1 1 287.329 3.227 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)nn2C)C1 ZINC000668494405 543021040 /nfs/dbraw/zinc/02/10/40/543021040.db2.gz ZDSNBZPHDLFBQI-NSHDSACASA-N 1 1 287.329 3.227 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+](C)CC1=CCCOC1 ZINC000668567965 543027888 /nfs/dbraw/zinc/02/78/88/543027888.db2.gz PFQNGZBKGSYWOY-UHFFFAOYSA-N 1 1 273.376 3.030 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CCC[C@H](c2ccc(CC)cc2)C1 ZINC000671732999 543183008 /nfs/dbraw/zinc/18/30/08/543183008.db2.gz RTLFONKSVWXLGB-ROUUACIJSA-N 1 1 273.420 3.365 20 30 CGEDMO C=CCCC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000117873259 397655809 /nfs/dbraw/zinc/65/58/09/397655809.db2.gz ICBHIECTXDYXPM-UHFFFAOYSA-N 1 1 269.392 3.037 20 30 CGEDMO COc1ccc(C[N@H+](C)CC(C)(C)C#N)cc1Cl ZINC000258842163 397669857 /nfs/dbraw/zinc/66/98/57/397669857.db2.gz CHWGSRNTQOXGCU-UHFFFAOYSA-N 1 1 266.772 3.330 20 30 CGEDMO COc1ccc(C[N@@H+](C)CC(C)(C)C#N)cc1Cl ZINC000258842163 397669859 /nfs/dbraw/zinc/66/98/59/397669859.db2.gz CHWGSRNTQOXGCU-UHFFFAOYSA-N 1 1 266.772 3.330 20 30 CGEDMO CCC[N@@H+](CCCSCC#N)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000342157605 397684291 /nfs/dbraw/zinc/68/42/91/397684291.db2.gz RZOZOQKYTNCVHY-RRFJBIMHSA-N 1 1 296.480 3.159 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000678235697 543498564 /nfs/dbraw/zinc/49/85/64/543498564.db2.gz YHCMLQPAIQHLIV-QGZVFWFLSA-N 1 1 297.402 3.285 20 30 CGEDMO C=C(C)[C@@H](CO)[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000678796723 543559318 /nfs/dbraw/zinc/55/93/18/543559318.db2.gz INKFYBDDCHTEKB-JOYOIKCWSA-N 1 1 257.736 3.067 20 30 CGEDMO CC[C@H]1CCC[N@@H+](CCOc2ccc(C#N)cc2)CC1 ZINC000079054470 287053548 /nfs/dbraw/zinc/05/35/48/287053548.db2.gz MUQJHGJMSMUPKN-HNNXBMFYSA-N 1 1 272.392 3.449 20 30 CGEDMO CCCC[N@@H+](Cc1ccc(OC)c(C#N)c1)C1CC1 ZINC000087833245 165189518 /nfs/dbraw/zinc/18/95/18/165189518.db2.gz CCRUAQRQLUFFMS-UHFFFAOYSA-N 1 1 258.365 3.331 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@@H](C)c2ccccn2)cc1C#N ZINC000091702874 165269764 /nfs/dbraw/zinc/26/97/64/165269764.db2.gz XSSYSHNGKRBUND-ZDUSSCGKSA-N 1 1 281.359 3.155 20 30 CGEDMO COc1c(C)cc(C[N@@H+](C)Cc2ccc(C#N)o2)cc1C ZINC000092787003 165311691 /nfs/dbraw/zinc/31/16/91/165311691.db2.gz ZILSWKXWSXFFNB-UHFFFAOYSA-N 1 1 284.359 3.409 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000093234891 165325519 /nfs/dbraw/zinc/32/55/19/165325519.db2.gz PQPPAFWCVSWTHC-ZDUSSCGKSA-N 1 1 281.359 3.155 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000093234891 165325521 /nfs/dbraw/zinc/32/55/21/165325521.db2.gz PQPPAFWCVSWTHC-ZDUSSCGKSA-N 1 1 281.359 3.155 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C)C[C@H]1C ZINC000121031602 287191425 /nfs/dbraw/zinc/19/14/25/287191425.db2.gz OHIUPFHJJZYBTQ-CHWSQXEVSA-N 1 1 258.365 3.187 20 30 CGEDMO C[C@@H]1CC(C)(C)C[N@H+]1[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000335188707 287218022 /nfs/dbraw/zinc/21/80/22/287218022.db2.gz IBQCFCMMUHHJOO-RISCZKNCSA-N 1 1 271.364 3.255 20 30 CGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)Cc1cccs1 ZINC000007420994 170283800 /nfs/dbraw/zinc/28/38/00/170283800.db2.gz SIRAGKRHDQVYAF-LBPRGKRZSA-N 1 1 299.399 3.079 20 30 CGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)Cc1cccs1 ZINC000007420994 170283802 /nfs/dbraw/zinc/28/38/02/170283802.db2.gz SIRAGKRHDQVYAF-LBPRGKRZSA-N 1 1 299.399 3.079 20 30 CGEDMO C[N@@H+](Cc1cccc(F)c1)Cc1cccc(C#N)c1 ZINC000020266594 171123680 /nfs/dbraw/zinc/12/36/80/171123680.db2.gz ZTKYKRYZIVCIBF-UHFFFAOYSA-N 1 1 254.308 3.329 20 30 CGEDMO Cc1cc(N[C@H](C)c2ccc(C#N)cc2)nc(C)[nH+]1 ZINC000037502095 173238724 /nfs/dbraw/zinc/23/87/24/173238724.db2.gz WYXBRXZWBGQLEV-LLVKDONJSA-N 1 1 252.321 3.138 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)[C@@H]1CCO[C@H](C)C1 ZINC000420904395 416562482 /nfs/dbraw/zinc/56/24/82/416562482.db2.gz PJPWBQKJCJIPNL-CHWSQXEVSA-N 1 1 251.395 3.304 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cc2c(c(Cl)c1)OCO2 ZINC000679219693 543601267 /nfs/dbraw/zinc/60/12/67/543601267.db2.gz SPSHUTRRBIPBOE-UHFFFAOYSA-N 1 1 253.729 3.077 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)cc(F)c1 ZINC000131156837 287371970 /nfs/dbraw/zinc/37/19/70/287371970.db2.gz PEIMSVHMMIMHRZ-UHFFFAOYSA-N 1 1 272.298 3.468 20 30 CGEDMO N#CCCCC[N@@H+](Cc1cccs1)[C@H]1C=C[C@@H](CO)C1 ZINC000347347022 226121213 /nfs/dbraw/zinc/12/12/13/226121213.db2.gz QWBAMGLJEWDIAH-CABCVRRESA-N 1 1 290.432 3.181 20 30 CGEDMO C#CC[N@@H+](CC1CCOCC1)[C@H]1CCc2ccccc21 ZINC000171824653 335081622 /nfs/dbraw/zinc/08/16/22/335081622.db2.gz ASSPRYYPDKPXLS-SFHVURJKSA-N 1 1 269.388 3.036 20 30 CGEDMO C=CCCn1cc(C[N@H+](CC(C)C)C2CCCC2)nn1 ZINC000653519946 419042569 /nfs/dbraw/zinc/04/25/69/419042569.db2.gz OCSADNFMQYRADQ-UHFFFAOYSA-N 1 1 276.428 3.255 20 30 CGEDMO C=CCCn1cc(C[N@H+]2Cc3ccccc3C[C@H]2CC)nn1 ZINC000653618777 419061410 /nfs/dbraw/zinc/06/14/10/419061410.db2.gz XIJDVQGOOMKLPH-GOSISDBHSA-N 1 1 296.418 3.191 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2Cc3ccccc3C[C@H]2CC)nn1 ZINC000653618777 419061415 /nfs/dbraw/zinc/06/14/15/419061415.db2.gz XIJDVQGOOMKLPH-GOSISDBHSA-N 1 1 296.418 3.191 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000665183473 419074016 /nfs/dbraw/zinc/07/40/16/419074016.db2.gz IVEAQLWBOBWBAK-IRXDYDNUSA-N 1 1 271.404 3.193 20 30 CGEDMO C=CCN1CC[C@H]([N@H+](C)Cc2cccc(C(C)C)c2)C1=O ZINC000660463375 419148743 /nfs/dbraw/zinc/14/87/43/419148743.db2.gz BTJJDIMSKVXTQE-KRWDZBQOSA-N 1 1 286.419 3.029 20 30 CGEDMO C=CC[N@H+](CC/C=C\c1cncc(OC)c1)[C@H](C)COC ZINC000661240751 419243610 /nfs/dbraw/zinc/24/36/10/419243610.db2.gz TWCABHLOYKKSHE-DDJMYBDESA-N 1 1 290.407 3.016 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cc3ccccc3n(C)c2=O)C1 ZINC000661383915 419254939 /nfs/dbraw/zinc/25/49/39/419254939.db2.gz FXNQUAJGKBKMAS-HNNXBMFYSA-N 1 1 296.414 3.327 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2)C1 ZINC000661379410 419255371 /nfs/dbraw/zinc/25/53/71/419255371.db2.gz YASOYFNUZDHLRQ-HUUCEWRRSA-N 1 1 272.392 3.302 20 30 CGEDMO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnsc1Cl ZINC000661118634 419232468 /nfs/dbraw/zinc/23/24/68/419232468.db2.gz IKGFDZMZWGVMJA-ZJUUUORDSA-N 1 1 271.817 3.416 20 30 CGEDMO C=CC[N@H+](CC(=O)N[C@H](C)c1ccc(F)cc1)C(C)(C)C ZINC000661754888 419294913 /nfs/dbraw/zinc/29/49/13/419294913.db2.gz FMUNVXCVPRPXQB-CYBMUJFWSA-N 1 1 292.398 3.289 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1ccc(F)cc1F)C(C)(C)C ZINC000661756099 419295144 /nfs/dbraw/zinc/29/51/44/419295144.db2.gz CRHWNWMEVAMRJA-UHFFFAOYSA-N 1 1 282.334 3.190 20 30 CGEDMO C[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H](C)O1 ZINC000661856749 419306470 /nfs/dbraw/zinc/30/64/70/419306470.db2.gz KEOZTWZHMBYBBC-KGLIPLIRSA-N 1 1 277.795 3.191 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1ccc(F)cc1 ZINC000662081036 419333796 /nfs/dbraw/zinc/33/37/96/419333796.db2.gz SGEKTBQVSRZLNY-IYBDPMFKSA-N 1 1 288.366 3.337 20 30 CGEDMO C=C(C)CCN1CC[N@H+](CCC(=C)C)[C@H](C)[C@H]1C ZINC000662226210 419367943 /nfs/dbraw/zinc/36/79/43/419367943.db2.gz YFGWHPCIEQQJHT-HZPDHXFCSA-N 1 1 250.430 3.313 20 30 CGEDMO C#CCC[N@H+]1CCC[C@@H]1c1nc2ccccc2s1 ZINC000299235436 260175173 /nfs/dbraw/zinc/17/51/73/260175173.db2.gz SBOMKOBAANIUPM-CYBMUJFWSA-N 1 1 256.374 3.457 20 30 CGEDMO CCC[N@H+](CC(=O)Nc1nncs1)Cc1ccccc1 ZINC000048545775 260200300 /nfs/dbraw/zinc/20/03/00/260200300.db2.gz LZCNYOOVFKMPLZ-UHFFFAOYSA-N 1 1 290.392 3.038 20 30 CGEDMO CCC[N@@H+](CC(=O)Nc1nncs1)Cc1ccccc1 ZINC000048545775 260200301 /nfs/dbraw/zinc/20/03/01/260200301.db2.gz LZCNYOOVFKMPLZ-UHFFFAOYSA-N 1 1 290.392 3.038 20 30 CGEDMO C=CCCCCCN(C)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363418218 260255954 /nfs/dbraw/zinc/25/59/54/260255954.db2.gz NRWVMOBTMFMIHL-JKSUJKDBSA-N 1 1 293.455 3.001 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)Cc1ccc(C)s1 ZINC000102773466 261269869 /nfs/dbraw/zinc/26/98/69/261269869.db2.gz DEBIEMRURNSPSL-CQSZACIVSA-N 1 1 292.448 3.077 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C)s1 ZINC000102773466 261269872 /nfs/dbraw/zinc/26/98/72/261269872.db2.gz DEBIEMRURNSPSL-CQSZACIVSA-N 1 1 292.448 3.077 20 30 CGEDMO Cc1ccc2cc(C[N@@H+](C)[C@@H](C)CC#N)ccc2n1 ZINC000187181145 262127058 /nfs/dbraw/zinc/12/70/58/262127058.db2.gz MVPDPWDPIVTULY-ZDUSSCGKSA-N 1 1 253.349 3.277 20 30 CGEDMO Cc1ccc2cc(C[N@H+](C)[C@@H](C)CC#N)ccc2n1 ZINC000187181145 262127060 /nfs/dbraw/zinc/12/70/60/262127060.db2.gz MVPDPWDPIVTULY-ZDUSSCGKSA-N 1 1 253.349 3.277 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)Cc1ccc2c(c1)OCCO2 ZINC000111250578 262258423 /nfs/dbraw/zinc/25/84/23/262258423.db2.gz JQZIOLRDZBSRKB-UHFFFAOYSA-N 1 1 288.391 3.220 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc2c(c1)OCCO2 ZINC000111250578 262258425 /nfs/dbraw/zinc/25/84/25/262258425.db2.gz JQZIOLRDZBSRKB-UHFFFAOYSA-N 1 1 288.391 3.220 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(OC)c(OC(F)F)c1 ZINC000054182165 262260274 /nfs/dbraw/zinc/26/02/74/262260274.db2.gz MEUBJLDGWNMZOV-NSHDSACASA-N 1 1 284.306 3.078 20 30 CGEDMO CO[C@@H](C)C[N@@H+](CCCCC(C)(C)C#N)C(C)C ZINC000336783829 262394989 /nfs/dbraw/zinc/39/49/89/262394989.db2.gz GTHVQNZBONSNKF-AWEZNQCLSA-N 1 1 254.418 3.452 20 30 CGEDMO N#CC1(CC[N@H+]2CCC[C@@H]2[C@H]2CCCO2)CCCCC1 ZINC000411699643 262704317 /nfs/dbraw/zinc/70/43/17/262704317.db2.gz MWWHCYRQYLIFKN-HZPDHXFCSA-N 1 1 276.424 3.494 20 30 CGEDMO C[N@@H+](CCC(C)(C)C#N)C[C@@H]1OCCc2ccccc21 ZINC000271953760 263000541 /nfs/dbraw/zinc/00/05/41/263000541.db2.gz BOCHKAOLAAZHHH-INIZCTEOSA-N 1 1 272.392 3.172 20 30 CGEDMO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCC(C)(C)C#N ZINC000274791562 263030246 /nfs/dbraw/zinc/03/02/46/263030246.db2.gz CAZPCNRTWFJFKX-AEFFLSMTSA-N 1 1 299.462 3.426 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000276262802 263035465 /nfs/dbraw/zinc/03/54/65/263035465.db2.gz BJZRNXPBYAMSTE-ZFWWWQNUSA-N 1 1 288.366 3.413 20 30 CGEDMO COCc1ccc([C@@H]2CCC[N@H+]2[C@H]2CC[C@H](C#N)C2)o1 ZINC000280996186 263065584 /nfs/dbraw/zinc/06/55/84/263065584.db2.gz MFLQZJHVYSORSO-YDHLFZDLSA-N 1 1 274.364 3.255 20 30 CGEDMO C[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3C(C)(C)C#N)C2)C1 ZINC000292088161 263128176 /nfs/dbraw/zinc/12/81/76/263128176.db2.gz GJGCFMFYCVFBMH-LJQANCHMSA-N 1 1 297.446 3.015 20 30 CGEDMO C[N@H+]1CC[C@@]2(CCN(Cc3ccccc3C(C)(C)C#N)C2)C1 ZINC000292088161 263128177 /nfs/dbraw/zinc/12/81/77/263128177.db2.gz GJGCFMFYCVFBMH-LJQANCHMSA-N 1 1 297.446 3.015 20 30 CGEDMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)CCOCCC#N ZINC000292895075 263136066 /nfs/dbraw/zinc/13/60/66/263136066.db2.gz VKNUENWJOLHCQI-QGZVFWFLSA-N 1 1 274.408 3.178 20 30 CGEDMO C[N@@H+](CCOc1ccccc1Cl)[C@@H]1CC[C@@H](C#N)C1 ZINC000293389184 263139770 /nfs/dbraw/zinc/13/97/70/263139770.db2.gz GSGLQEBXECJMOF-CHWSQXEVSA-N 1 1 278.783 3.343 20 30 CGEDMO N#CCCOCC[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000293553293 263143125 /nfs/dbraw/zinc/14/31/25/263143125.db2.gz RHVRMRICDNLALM-OAHLLOKOSA-N 1 1 278.783 3.407 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCC=C(c2cccnc2)C1 ZINC000295671843 263180922 /nfs/dbraw/zinc/18/09/22/263180922.db2.gz BIRIZSXGOULEMS-UHFFFAOYSA-N 1 1 255.365 3.111 20 30 CGEDMO C[N@@H+](CCOCCC#N)[C@H]1CCC[C@H]1c1ccccc1 ZINC000297379981 263204342 /nfs/dbraw/zinc/20/43/42/263204342.db2.gz AJYBGJRVTVAIKP-IRXDYDNUSA-N 1 1 272.392 3.185 20 30 CGEDMO CCOc1cc(C[NH2+][C@@H](CC)CC#N)cc(Cl)c1O ZINC000297557862 263206392 /nfs/dbraw/zinc/20/63/92/263206392.db2.gz GZLMAKCGPRUSIQ-NSHDSACASA-N 1 1 282.771 3.226 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000298825348 263226576 /nfs/dbraw/zinc/22/65/76/263226576.db2.gz BHUQKHWCDSEGGK-UKRRQHHQSA-N 1 1 260.356 3.382 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000298826293 263226602 /nfs/dbraw/zinc/22/66/02/263226602.db2.gz GMXBYHSTAYZSNV-LSDHHAIUSA-N 1 1 258.365 3.080 20 30 CGEDMO C=CCCC[N@@H+](Cc1ccccc1)CC1(CO)CC1 ZINC000341961255 263371785 /nfs/dbraw/zinc/37/17/85/263371785.db2.gz CBRXOMGHJHUKAB-UHFFFAOYSA-N 1 1 259.393 3.227 20 30 CGEDMO C=C1CC[NH+]([C@@H](C(=O)N(CC)CC)c2ccccc2)CC1 ZINC000341995459 263373617 /nfs/dbraw/zinc/37/36/17/263373617.db2.gz PEQZPIDPBSMIER-QGZVFWFLSA-N 1 1 286.419 3.248 20 30 CGEDMO C=CCOCCC[N@H+]1CCC=C(c2ccccc2)C1 ZINC000341987692 263381039 /nfs/dbraw/zinc/38/10/39/263381039.db2.gz HMMVUMFDFBLZOD-UHFFFAOYSA-N 1 1 257.377 3.368 20 30 CGEDMO CCc1noc(C)c1C(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC000330761377 264032123 /nfs/dbraw/zinc/03/21/23/264032123.db2.gz NGBQOEPWDMFCOC-CYBMUJFWSA-N 1 1 293.411 3.115 20 30 CGEDMO CC(C)c1cc(C(=O)NCC[N@H+]2CCCC(C)(C)C2)no1 ZINC000331004386 264105897 /nfs/dbraw/zinc/10/58/97/264105897.db2.gz XAUDUVYCQBUEID-UHFFFAOYSA-N 1 1 293.411 3.225 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000425388960 264222048 /nfs/dbraw/zinc/22/20/48/264222048.db2.gz XXOHBLSAWFHPMG-MRXNPFEDSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000425388960 264222050 /nfs/dbraw/zinc/22/20/50/264222050.db2.gz XXOHBLSAWFHPMG-MRXNPFEDSA-N 1 1 286.419 3.074 20 30 CGEDMO C#CCOc1ccc(C[NH2+][C@@H](COC)c2ccc(C)o2)cc1 ZINC000080237639 264392001 /nfs/dbraw/zinc/39/20/01/264392001.db2.gz OINSQBIEZSJNOZ-KRWDZBQOSA-N 1 1 299.370 3.077 20 30 CGEDMO C=CCOCCC[N@H+](C)[C@H](C)c1ccccc1F ZINC000347966565 265139067 /nfs/dbraw/zinc/13/90/67/265139067.db2.gz HCCLNSCNYMQVQO-CYBMUJFWSA-N 1 1 251.345 3.411 20 30 CGEDMO N#Cc1ccccc1OCC[N@@H+](C1CC1)C1CCCC1 ZINC000103465976 270045975 /nfs/dbraw/zinc/04/59/75/270045975.db2.gz FTCRQCHBTCMYRF-UHFFFAOYSA-N 1 1 270.376 3.344 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000369319112 267235657 /nfs/dbraw/zinc/23/56/57/267235657.db2.gz KKFRDEOAJVFLFV-ARFHVFGLSA-N 1 1 267.413 3.001 20 30 CGEDMO COc1ccccc1[C@@H]1CC[C@H](C)C[N@@H+]1CCC#N ZINC000370541841 267328470 /nfs/dbraw/zinc/32/84/70/267328470.db2.gz KSIAYVQZTDWWRE-ZFWWWQNUSA-N 1 1 258.365 3.382 20 30 CGEDMO COc1ccccc1[C@@H]1CC[C@H](C)C[N@H+]1CCC#N ZINC000370541841 267328471 /nfs/dbraw/zinc/32/84/71/267328471.db2.gz KSIAYVQZTDWWRE-ZFWWWQNUSA-N 1 1 258.365 3.382 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@@H]2C2CC2)cc1 ZINC000371420282 267402769 /nfs/dbraw/zinc/40/27/69/267402769.db2.gz VCWLOORJXDGTRT-GOSISDBHSA-N 1 1 283.419 3.411 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)Cc1ccccc1C(F)(F)F ZINC000121848913 267751701 /nfs/dbraw/zinc/75/17/01/267751701.db2.gz FKYXZRFDZRAKBY-ZDUSSCGKSA-N 1 1 287.325 3.464 20 30 CGEDMO CC(C)(C#N)CC[N@@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000305801631 268001035 /nfs/dbraw/zinc/00/10/35/268001035.db2.gz XPKNSNVXXWJOSP-KRWDZBQOSA-N 1 1 286.419 3.199 20 30 CGEDMO Cc1ccc(C#N)nc1NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000528119604 268030886 /nfs/dbraw/zinc/03/08/86/268030886.db2.gz WWUJSWKGBPVXCB-INIZCTEOSA-N 1 1 284.407 3.081 20 30 CGEDMO CC[C@@H](C)[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000532967381 270220357 /nfs/dbraw/zinc/22/03/57/270220357.db2.gz AVJMGZRXABADCW-PBHICJAKSA-N 1 1 299.418 3.397 20 30 CGEDMO CC[N@@H+](CCOC)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356082453 276133531 /nfs/dbraw/zinc/13/35/31/276133531.db2.gz HXIIFIWFKHEZRA-UHFFFAOYSA-N 1 1 286.297 3.045 20 30 CGEDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2ccc(C#N)c(Cl)c2)C1 ZINC000277034785 277156363 /nfs/dbraw/zinc/15/63/63/277156363.db2.gz OMBJMOHJSCNAGC-XJKSGUPXSA-N 1 1 289.810 3.132 20 30 CGEDMO Cc1nc2c(s1)[C@H]([N@H+](C)CC1(C#N)CCC1)CCC2 ZINC000336186597 282038210 /nfs/dbraw/zinc/03/82/10/282038210.db2.gz LBYXVZVKJXKADP-CYBMUJFWSA-N 1 1 275.421 3.455 20 30 CGEDMO Cc1nc2c(s1)[C@H]([N@@H+](C)CC1(C#N)CCC1)CCC2 ZINC000336186597 282038212 /nfs/dbraw/zinc/03/82/12/282038212.db2.gz LBYXVZVKJXKADP-CYBMUJFWSA-N 1 1 275.421 3.455 20 30 CGEDMO N#Cc1cccc(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)c1 ZINC000548385516 289002737 /nfs/dbraw/zinc/00/27/37/289002737.db2.gz QSYBDSNOXZDJDL-KRWDZBQOSA-N 1 1 297.402 3.294 20 30 CGEDMO C[C@H]1C[C@H](C)[NH+]1Cc1cc(C#N)ccc1Br ZINC000548753351 289020620 /nfs/dbraw/zinc/02/06/20/289020620.db2.gz SECGWBNONAEZEX-UWVGGRQHSA-N 1 1 279.181 3.303 20 30 CGEDMO N#CC1(F)CC[NH+]([C@H]2CCc3ccc(F)cc32)CC1 ZINC000352464034 303144994 /nfs/dbraw/zinc/14/49/94/303144994.db2.gz NWMBWRQYZHPDAP-AWEZNQCLSA-N 1 1 262.303 3.141 20 30 CGEDMO N#Cc1ccc([C@@H](C(N)=O)[N@@H+]2CCCC3(CC3)C2)cc1 ZINC000334624339 303199557 /nfs/dbraw/zinc/19/95/57/303199557.db2.gz PVANZDOMDTXPKM-AWEZNQCLSA-N 1 1 269.348 3.011 20 30 CGEDMO N#Cc1ccc([C@@H](C(N)=O)[N@H+]2CCCC3(CC3)C2)cc1 ZINC000334624339 303199560 /nfs/dbraw/zinc/19/95/60/303199560.db2.gz PVANZDOMDTXPKM-AWEZNQCLSA-N 1 1 269.348 3.011 20 30 CGEDMO COc1cccc(C[NH2+][C@@H](CCC#N)c2ccccc2)n1 ZINC000181937869 327811092 /nfs/dbraw/zinc/81/10/92/327811092.db2.gz RIYFBKSPSPUDGI-INIZCTEOSA-N 1 1 281.359 3.225 20 30 CGEDMO CC#CC[N@H+](C)Cc1ccccc1Oc1cccnc1 ZINC000339750627 328053666 /nfs/dbraw/zinc/05/36/66/328053666.db2.gz OIUBAAXELGLYSE-UHFFFAOYSA-N 1 1 266.344 3.329 20 30 CGEDMO CC#CC[N@@H+](C)Cc1ccccc1Oc1cccnc1 ZINC000339750627 328053667 /nfs/dbraw/zinc/05/36/67/328053667.db2.gz OIUBAAXELGLYSE-UHFFFAOYSA-N 1 1 266.344 3.329 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000155135609 328071286 /nfs/dbraw/zinc/07/12/86/328071286.db2.gz WRKMEEVNZGTZEQ-CQSZACIVSA-N 1 1 290.407 3.229 20 30 CGEDMO C[N@H+](C[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CC[C@@H](C#N)C1 ZINC000278566027 328227477 /nfs/dbraw/zinc/22/74/77/328227477.db2.gz IVRQTLWJBBYKFS-QYZOEREBSA-N 1 1 297.446 3.133 20 30 CGEDMO C[N@@H+](C[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CC[C@@H](C#N)C1 ZINC000278566027 328227478 /nfs/dbraw/zinc/22/74/78/328227478.db2.gz IVRQTLWJBBYKFS-QYZOEREBSA-N 1 1 297.446 3.133 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)C1 ZINC000278697899 328229934 /nfs/dbraw/zinc/22/99/34/328229934.db2.gz SUVLKHZCXODJHC-UKRRQHHQSA-N 1 1 292.386 3.344 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282231054 328241734 /nfs/dbraw/zinc/24/17/34/328241734.db2.gz ZJITYZKROPORKE-OAHLLOKOSA-N 1 1 273.424 3.365 20 30 CGEDMO N#CCCOCC[N@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000292948054 328274190 /nfs/dbraw/zinc/27/41/90/328274190.db2.gz BLACCBVUPDMLBT-UHFFFAOYSA-N 1 1 278.783 3.235 20 30 CGEDMO C[N@@H+](CCOCCC#N)Cc1ccc(Cl)c(Cl)c1 ZINC000293434993 328276163 /nfs/dbraw/zinc/27/61/63/328276163.db2.gz JNHUHHVMALQERJ-UHFFFAOYSA-N 1 1 287.190 3.355 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1cccc(Br)c1 ZINC000336742219 328284620 /nfs/dbraw/zinc/28/46/20/328284620.db2.gz NZAMAYFPZKIXRW-SNVBAGLBSA-N 1 1 279.181 3.403 20 30 CGEDMO C#CC[N@H+](CCCCn1ccnc1C)Cc1ccc(F)cc1 ZINC000119596152 328307131 /nfs/dbraw/zinc/30/71/31/328307131.db2.gz WKCAPWGYXCSJPJ-UHFFFAOYSA-N 1 1 299.393 3.246 20 30 CGEDMO Cc1cc(C[NH2+][C@H](c2ccccc2F)[C@H](C)O)ccc1C#N ZINC000563255741 321986359 /nfs/dbraw/zinc/98/63/59/321986359.db2.gz NGQBDPZRVBXBCF-UGSOOPFHSA-N 1 1 298.361 3.218 20 30 CGEDMO Cc1ccccc1[C@@]1(F)CC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000565163054 322063993 /nfs/dbraw/zinc/06/39/93/322063993.db2.gz JXCMGXUTPCBHRY-GOSISDBHSA-N 1 1 295.361 3.332 20 30 CGEDMO Cc1ccccc1[C@@]1(F)CC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000565163054 322063995 /nfs/dbraw/zinc/06/39/95/322063995.db2.gz JXCMGXUTPCBHRY-GOSISDBHSA-N 1 1 295.361 3.332 20 30 CGEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCC[C@@H]1O ZINC000565368653 322075380 /nfs/dbraw/zinc/07/53/80/322075380.db2.gz XAGKCYIVNIDETJ-ROUUACIJSA-N 1 1 286.419 3.320 20 30 CGEDMO C[C@H]1CCC(C)(C)[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000566681307 322134026 /nfs/dbraw/zinc/13/40/26/322134026.db2.gz GVBIHPJRGQDYBS-NSHDSACASA-N 1 1 273.336 3.229 20 30 CGEDMO CC[C@@H](C)[C@H](C)[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000569464497 322248086 /nfs/dbraw/zinc/24/80/86/322248086.db2.gz HTLXCZBQVCOERC-KGLIPLIRSA-N 1 1 299.418 3.396 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])[C@@H](C)C(C)C ZINC000569851955 322258943 /nfs/dbraw/zinc/25/89/43/322258943.db2.gz NERNHVTTWQRTHP-LBPRGKRZSA-N 1 1 275.352 3.333 20 30 CGEDMO C=CC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000111257838 328340794 /nfs/dbraw/zinc/34/07/94/328340794.db2.gz XATRXFVAZHOBBC-UHFFFAOYSA-N 1 1 296.773 3.316 20 30 CGEDMO CC[C@]1(C)CCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000573448213 322388338 /nfs/dbraw/zinc/38/83/38/322388338.db2.gz HPAZAKCDBGKVNK-MRXNPFEDSA-N 1 1 287.363 3.479 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1cccc(OC)c1OC(F)F ZINC000127327579 328480258 /nfs/dbraw/zinc/48/02/58/328480258.db2.gz PGYKUBWJIYKULF-UHFFFAOYSA-N 1 1 277.698 3.139 20 30 CGEDMO CO[C@@H](C[NH2+]C[C@H](C#N)CCC#N)c1ccc(Cl)cc1 ZINC000576064227 327014718 /nfs/dbraw/zinc/01/47/18/327014718.db2.gz BTONQIIFIHGCCR-WFASDCNBSA-N 1 1 291.782 3.061 20 30 CGEDMO C=CCOCC[N@@H+]1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000559149006 327143525 /nfs/dbraw/zinc/14/35/25/327143525.db2.gz BMEZVGPRASFHPD-INIZCTEOSA-N 1 1 259.393 3.295 20 30 CGEDMO Cc1cc(C[N@@H+](C)[C@@H](C)CC#N)c2ccccc2n1 ZINC000092347701 327192999 /nfs/dbraw/zinc/19/29/99/327192999.db2.gz KNVZQKDUOUIFDT-ZDUSSCGKSA-N 1 1 253.349 3.277 20 30 CGEDMO Cc1cc(C[N@H+](C)[C@@H](C)CC#N)c2ccccc2n1 ZINC000092347701 327193001 /nfs/dbraw/zinc/19/30/01/327193001.db2.gz KNVZQKDUOUIFDT-ZDUSSCGKSA-N 1 1 253.349 3.277 20 30 CGEDMO CN(C)Cc1ccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)cc1F ZINC000361426080 328925399 /nfs/dbraw/zinc/92/53/99/328925399.db2.gz LKZFIRYNCAVHEP-BBRMVZONSA-N 1 1 289.398 3.059 20 30 CGEDMO C=CC[NH+]1CCC(N[C@@H](C)c2cc(F)ccc2F)CC1 ZINC000177905616 329190137 /nfs/dbraw/zinc/19/01/37/329190137.db2.gz LWNJAFBBYMMAJI-LBPRGKRZSA-N 1 1 280.362 3.266 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](C)CCOCC2CC2)c1 ZINC000180098798 329215425 /nfs/dbraw/zinc/21/54/25/329215425.db2.gz BNMSAKDXZXWAJV-UHFFFAOYSA-N 1 1 275.392 3.110 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000181281037 329229269 /nfs/dbraw/zinc/22/92/69/329229269.db2.gz NNGMZKVJTVQDFS-GJZGRUSLSA-N 1 1 274.408 3.069 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cc(C(=O)OC)ccc1F ZINC000181948935 329238440 /nfs/dbraw/zinc/23/84/40/329238440.db2.gz HDHSWVHGLXUXQF-UHFFFAOYSA-N 1 1 265.328 3.010 20 30 CGEDMO C[N@@H+](CCCC(C)(C)C#N)CC1(O)CCCCCC1 ZINC000187335717 329355426 /nfs/dbraw/zinc/35/54/26/329355426.db2.gz ZIAWPVHWCLUTFS-UHFFFAOYSA-N 1 1 266.429 3.333 20 30 CGEDMO C=CCC1(C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CCC1 ZINC000190031049 329391985 /nfs/dbraw/zinc/39/19/85/329391985.db2.gz SUWZAWPXDANIOM-OWCLPIDISA-N 1 1 292.467 3.215 20 30 CGEDMO N#CC1(C[NH2+]Cc2cccc(-c3ccccn3)c2)CC1 ZINC000584506482 329505870 /nfs/dbraw/zinc/50/58/70/329505870.db2.gz CGRVUPOHUVCXNY-UHFFFAOYSA-N 1 1 263.344 3.142 20 30 CGEDMO C=C(C)CSCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000421216554 329806127 /nfs/dbraw/zinc/80/61/27/329806127.db2.gz FTYBPJIIVLUKEN-UHFFFAOYSA-N 1 1 277.433 3.328 20 30 CGEDMO C=CC[N@@H+](CCOCCOC)Cc1ccc(Cl)s1 ZINC000079395799 330032255 /nfs/dbraw/zinc/03/22/55/330032255.db2.gz UGXNEDZZNCQMSA-UHFFFAOYSA-N 1 1 289.828 3.053 20 30 CGEDMO C=CC[N@H+](CCOCCOC)Cc1ccc(Cl)s1 ZINC000079395799 330032257 /nfs/dbraw/zinc/03/22/57/330032257.db2.gz UGXNEDZZNCQMSA-UHFFFAOYSA-N 1 1 289.828 3.053 20 30 CGEDMO N#CCC[N@@H+](Cc1cc(F)cc2cccnc21)CC1CC1 ZINC000081044271 330160743 /nfs/dbraw/zinc/16/07/43/330160743.db2.gz YESXVTFLOIETCV-UHFFFAOYSA-N 1 1 283.350 3.500 20 30 CGEDMO N#CCC[N@H+](Cc1cc(F)cc2cccnc21)CC1CC1 ZINC000081044271 330160744 /nfs/dbraw/zinc/16/07/44/330160744.db2.gz YESXVTFLOIETCV-UHFFFAOYSA-N 1 1 283.350 3.500 20 30 CGEDMO Cc1ccc(C)c(OCC[N@H+](CCC#N)CC2CC2)c1 ZINC000081514852 330212329 /nfs/dbraw/zinc/21/23/29/330212329.db2.gz YVKSHWJHJFEQBK-UHFFFAOYSA-N 1 1 272.392 3.308 20 30 CGEDMO Cc1ccc(C)c(OCC[N@@H+](CCC#N)CC2CC2)c1 ZINC000081514852 330212330 /nfs/dbraw/zinc/21/23/30/330212330.db2.gz YVKSHWJHJFEQBK-UHFFFAOYSA-N 1 1 272.392 3.308 20 30 CGEDMO C=CC(C)(C)CC[NH2+]C1CCN(CC2CC2)CC1 ZINC000527925169 330296451 /nfs/dbraw/zinc/29/64/51/330296451.db2.gz KYVLXMWVVADMIP-UHFFFAOYSA-N 1 1 250.430 3.053 20 30 CGEDMO C=CCOc1ccc(C[NH+]2CC(C)C2)cc1Cl ZINC000438849271 330729923 /nfs/dbraw/zinc/72/99/23/330729923.db2.gz IABVRRZGQXLDAK-UHFFFAOYSA-N 1 1 251.757 3.357 20 30 CGEDMO COCCc1cc[nH+]c(NC2CCC(C)(C#N)CC2)c1 ZINC000449324776 330914697 /nfs/dbraw/zinc/91/46/97/330914697.db2.gz ZQQPSIANYJPRIM-UHFFFAOYSA-N 1 1 273.380 3.155 20 30 CGEDMO C=CCC[C@H]([NH2+][C@@H]1CCCC12CCC2)C(=O)OCC ZINC000449653358 330942100 /nfs/dbraw/zinc/94/21/00/330942100.db2.gz CAFNQPJRXJOGEP-UONOGXRCSA-N 1 1 265.397 3.197 20 30 CGEDMO CCCC[N@@H+](CC1(C#N)CC1)[C@@H]1CCCC[C@H]1OC ZINC000451647357 331037881 /nfs/dbraw/zinc/03/78/81/331037881.db2.gz AYIQEFFCQNAMGS-HUUCEWRRSA-N 1 1 264.413 3.350 20 30 CGEDMO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1csc([C@H](C)OCC)n1 ZINC000451675316 331038512 /nfs/dbraw/zinc/03/85/12/331038512.db2.gz PCNMDHMHVXLFGP-YUTCNCBUSA-N 1 1 296.436 3.064 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC3(CCC3)[C@@H]2c2ccco2)C1 ZINC000451855890 331044884 /nfs/dbraw/zinc/04/48/84/331044884.db2.gz OXLRMWXWONHUPX-NFAWXSAZSA-N 1 1 256.349 3.499 20 30 CGEDMO C=CC(C)(C)CNC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000454315786 331144047 /nfs/dbraw/zinc/14/40/47/331144047.db2.gz FTXAFAXFCUAHHZ-HNNXBMFYSA-N 1 1 295.471 3.010 20 30 CGEDMO C=CCC(C)(C)CNC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000458815123 331261280 /nfs/dbraw/zinc/26/12/80/331261280.db2.gz WWNQNMUUDLRMBN-LSDHHAIUSA-N 1 1 295.471 3.103 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459337989 331276792 /nfs/dbraw/zinc/27/67/92/331276792.db2.gz KEEKBZCQEULDSO-UHFFFAOYSA-N 1 1 275.396 3.238 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000459558809 331287840 /nfs/dbraw/zinc/28/78/40/331287840.db2.gz JSTBFFCXACSDIC-OAHLLOKOSA-N 1 1 253.386 3.006 20 30 CGEDMO C[C@H]([NH2+]Cc1ccccc1C(C)(C)C#N)c1ccn(C)n1 ZINC000459786643 331300987 /nfs/dbraw/zinc/30/09/87/331300987.db2.gz KPDIDLQKSMMVKW-ZDUSSCGKSA-N 1 1 282.391 3.072 20 30 CGEDMO C=CCC[C@H](C)[NH2+][C@@H](CCC)C(=O)OC(C)(C)C ZINC000462848090 331332497 /nfs/dbraw/zinc/33/24/97/331332497.db2.gz MABWOPMCOALTLG-STQMWFEESA-N 1 1 255.402 3.441 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C)cc1C ZINC000489449104 332053016 /nfs/dbraw/zinc/05/30/16/332053016.db2.gz NLFPTGARSFBSSY-OAHLLOKOSA-N 1 1 272.392 3.282 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(C)cc1C ZINC000489449104 332053018 /nfs/dbraw/zinc/05/30/18/332053018.db2.gz NLFPTGARSFBSSY-OAHLLOKOSA-N 1 1 272.392 3.282 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1nc(-c2ccc(F)cc2)no1 ZINC000489444512 332053193 /nfs/dbraw/zinc/05/31/93/332053193.db2.gz KGFMMKFAUFPAPJ-AWEZNQCLSA-N 1 1 287.338 3.416 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(F)cc2)no1 ZINC000489444512 332053195 /nfs/dbraw/zinc/05/31/95/332053195.db2.gz KGFMMKFAUFPAPJ-AWEZNQCLSA-N 1 1 287.338 3.416 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)N(CC)Cc1ccccc1 ZINC000489446861 332053312 /nfs/dbraw/zinc/05/33/12/332053312.db2.gz OXKBUJRRTNRCND-KRWDZBQOSA-N 1 1 286.419 3.076 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccccc2)no1 ZINC000489490836 332055890 /nfs/dbraw/zinc/05/58/90/332055890.db2.gz ZWCKPIBYNBIJQU-AWEZNQCLSA-N 1 1 269.348 3.277 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1nc(-c2ccccc2)no1 ZINC000489490836 332055891 /nfs/dbraw/zinc/05/58/91/332055891.db2.gz ZWCKPIBYNBIJQU-AWEZNQCLSA-N 1 1 269.348 3.277 20 30 CGEDMO C=CC[N@H+](CCC)[C@H](C)C(=O)Nc1ccccc1C ZINC000490056631 332079121 /nfs/dbraw/zinc/07/91/21/332079121.db2.gz QHAYNSCLVPTOAM-CQSZACIVSA-N 1 1 260.381 3.220 20 30 CGEDMO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H](C)c1ccccn1 ZINC000491219402 332168105 /nfs/dbraw/zinc/16/81/05/332168105.db2.gz FBDOVDXTNWZTHI-AWEZNQCLSA-N 1 1 268.335 3.417 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)[C@@H](C)c1ccccn1 ZINC000491219402 332168107 /nfs/dbraw/zinc/16/81/07/332168107.db2.gz FBDOVDXTNWZTHI-AWEZNQCLSA-N 1 1 268.335 3.417 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccccc1OCc1cccnc1 ZINC000491635016 332256280 /nfs/dbraw/zinc/25/62/80/332256280.db2.gz TYNHLZJBPZLFNV-HNNXBMFYSA-N 1 1 280.371 3.114 20 30 CGEDMO C#CC[NH+]1CCC(c2nc([C@H]3CCCC[C@H]3C)no2)CC1 ZINC000491746371 332324119 /nfs/dbraw/zinc/32/41/19/332324119.db2.gz VBXBZQDOKLYQIW-HIFRSBDPSA-N 1 1 287.407 3.176 20 30 CGEDMO C#CC[N@H+](Cc1cn(C)nc1C(F)F)C1CCCCC1 ZINC000491784666 332347895 /nfs/dbraw/zinc/34/78/95/332347895.db2.gz SYMGZPBXHBRZDB-UHFFFAOYSA-N 1 1 281.350 3.126 20 30 CGEDMO C#CC[N@@H+](Cc1cnc(CC)nc1)[C@@H]1CCc2ccccc21 ZINC000491795973 332354825 /nfs/dbraw/zinc/35/48/25/332354825.db2.gz YFUNWFBXWMZJAN-GOSISDBHSA-N 1 1 291.398 3.162 20 30 CGEDMO C#CC[N@H+](Cc1cnc(CC)nc1)[C@@H]1CCc2ccccc21 ZINC000491795973 332354826 /nfs/dbraw/zinc/35/48/26/332354826.db2.gz YFUNWFBXWMZJAN-GOSISDBHSA-N 1 1 291.398 3.162 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000248823319 334318322 /nfs/dbraw/zinc/31/83/22/334318322.db2.gz WJCPVIMHFFNRMW-NWDGAFQWSA-N 1 1 279.346 3.224 20 30 CGEDMO C=CCOc1cccc(C[N@H+](C)[C@H](CO)CC(C)C)c1 ZINC000575789417 335114999 /nfs/dbraw/zinc/11/49/99/335114999.db2.gz ZHIKOYGNYWWERB-INIZCTEOSA-N 1 1 277.408 3.090 20 30 CGEDMO C=CCCC[C@@H](C)[N@@H+](CC)CC(=O)N1CCCCCC1 ZINC000513218408 333009266 /nfs/dbraw/zinc/00/92/66/333009266.db2.gz MDXNNLUYUNSZBE-MRXNPFEDSA-N 1 1 280.456 3.456 20 30 CGEDMO C=CC[N@@H+](CC)Cc1ccccc1Br ZINC000514005084 333059404 /nfs/dbraw/zinc/05/94/04/333059404.db2.gz ATUFEQYCXIJNPC-UHFFFAOYSA-N 1 1 254.171 3.457 20 30 CGEDMO C=CC[N@H+](CC)Cc1ccccc1Br ZINC000514005084 333059406 /nfs/dbraw/zinc/05/94/06/333059406.db2.gz ATUFEQYCXIJNPC-UHFFFAOYSA-N 1 1 254.171 3.457 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000177512902 333059791 /nfs/dbraw/zinc/05/97/91/333059791.db2.gz IEYDQBHOJFKXQV-OAHLLOKOSA-N 1 1 267.800 3.141 20 30 CGEDMO C=C1CC[NH+](CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)CC1 ZINC000520849798 333107014 /nfs/dbraw/zinc/10/70/14/333107014.db2.gz VPAFSAIJOOVIFO-INIZCTEOSA-N 1 1 286.419 3.133 20 30 CGEDMO CC(C)C[C@H](CO)[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000185332887 333138827 /nfs/dbraw/zinc/13/88/27/333138827.db2.gz BITZTDLLGJZOKT-MRXNPFEDSA-N 1 1 279.811 3.030 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000190969932 333212928 /nfs/dbraw/zinc/21/29/28/333212928.db2.gz FODUMPDSPNKOMG-YOEHRIQHSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H]1C(=O)Nc1nccs1 ZINC000193428051 333249806 /nfs/dbraw/zinc/24/98/06/333249806.db2.gz GBZMWZAQPJWOFN-ZDUSSCGKSA-N 1 1 293.436 3.292 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@H]1C(=O)Nc1nccs1 ZINC000193428051 333249807 /nfs/dbraw/zinc/24/98/07/333249807.db2.gz GBZMWZAQPJWOFN-ZDUSSCGKSA-N 1 1 293.436 3.292 20 30 CGEDMO C[C@H]1c2c(F)cccc2CC[N@@H+]1CCCSCC#N ZINC000524791712 333388179 /nfs/dbraw/zinc/38/81/79/333388179.db2.gz MJHJJGNVHUARAI-LBPRGKRZSA-N 1 1 278.396 3.392 20 30 CGEDMO C[C@H](c1ccccc1Cl)[N@@H+](C)CCOCCC#N ZINC000338929870 335140083 /nfs/dbraw/zinc/14/00/83/335140083.db2.gz RMARRGRCQZKWBF-GFCCVEGCSA-N 1 1 266.772 3.263 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2ccccc2OC2CCC2)o1 ZINC000174408117 335153866 /nfs/dbraw/zinc/15/38/66/335153866.db2.gz MHVFHXRAWGAQSZ-UHFFFAOYSA-N 1 1 282.343 3.372 20 30 CGEDMO C=CCCC[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000076110229 334072968 /nfs/dbraw/zinc/07/29/68/334072968.db2.gz MJHAALBOECTCGT-SFHVURJKSA-N 1 1 272.436 3.407 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000076110229 334072969 /nfs/dbraw/zinc/07/29/69/334072969.db2.gz MJHAALBOECTCGT-SFHVURJKSA-N 1 1 272.436 3.407 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1CC ZINC000076738492 334088346 /nfs/dbraw/zinc/08/83/46/334088346.db2.gz KDIQJYBRJXFTPX-CQSZACIVSA-N 1 1 274.408 3.474 20 30 CGEDMO CC[N@@H+](Cc1ccccc1C(C)(C)C#N)C[C@H](C)C#N ZINC000135139410 334117581 /nfs/dbraw/zinc/11/75/81/334117581.db2.gz MYBBXLXJYPHXNK-CQSZACIVSA-N 1 1 269.392 3.469 20 30 CGEDMO CC[N@H+](Cc1ccccc1C(C)(C)C#N)C[C@H](C)C#N ZINC000135139410 334117582 /nfs/dbraw/zinc/11/75/82/334117582.db2.gz MYBBXLXJYPHXNK-CQSZACIVSA-N 1 1 269.392 3.469 20 30 CGEDMO CC[C@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@H](C)O1 ZINC000135216804 334119878 /nfs/dbraw/zinc/11/98/78/334119878.db2.gz RIBWGOPVASHXNB-HOCLYGCPSA-N 1 1 286.419 3.487 20 30 CGEDMO C[C@@H]1C[C@@H](C)[NH+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000548097628 334139556 /nfs/dbraw/zinc/13/95/56/334139556.db2.gz KNAABBXSJVRHTP-ZIAGYGMSSA-N 1 1 295.386 3.220 20 30 CGEDMO C=CCOCC[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000549446383 334193941 /nfs/dbraw/zinc/19/39/41/334193941.db2.gz QNEMTCQGMKZUIB-CQSZACIVSA-N 1 1 265.784 3.332 20 30 CGEDMO C=CCOCC[N@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000549861074 334206792 /nfs/dbraw/zinc/20/67/92/334206792.db2.gz XCCKILGGUURJKL-WBVHZDCISA-N 1 1 259.393 3.315 20 30 CGEDMO C=CCC(C)(C)C[NH2+][C@H]1CCN(CCCOCC)C[C@H]1C ZINC000551241900 334242558 /nfs/dbraw/zinc/24/25/58/334242558.db2.gz XHMLNSCQRYAPHM-SJORKVTESA-N 1 1 296.499 3.315 20 30 CGEDMO C=CC[N@H+](CCn1cc(C)cn1)CC1CCCCC1 ZINC000551699973 334258239 /nfs/dbraw/zinc/25/82/39/334258239.db2.gz QJMSQLOKODTYFM-UHFFFAOYSA-N 1 1 261.413 3.260 20 30 CGEDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000576706810 335238060 /nfs/dbraw/zinc/23/80/60/335238060.db2.gz AHAIDSOFHQBEND-SMDDNHRTSA-N 1 1 273.336 3.087 20 30 CGEDMO C[C@H]1Cc2[nH+]cn(CC#Cc3ccccc3)c2C[C@@H]1C ZINC000380773843 336028418 /nfs/dbraw/zinc/02/84/18/336028418.db2.gz QXOCPNWFDJTHIF-GJZGRUSLSA-N 1 1 264.372 3.306 20 30 CGEDMO COC[C@]1(C)CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000381367513 336060407 /nfs/dbraw/zinc/06/04/07/336060407.db2.gz LPWHFDZUSDTYKY-OAHLLOKOSA-N 1 1 278.783 3.070 20 30 CGEDMO C[C@H](NC[C@@H]1[NH2+]CCc2ccccc21)c1ccc(C#N)cc1 ZINC000423446303 533889839 /nfs/dbraw/zinc/88/98/39/533889839.db2.gz ZANBYGHACYENRG-LIRRHRJNSA-N 1 1 291.398 3.096 20 30 CGEDMO C[C@H]([NH2+]Cc1cccc(N(C)C)n1)c1ccc(C#N)cc1F ZINC000358576555 533927924 /nfs/dbraw/zinc/92/79/24/533927924.db2.gz UHEITVBPWQCRTR-LBPRGKRZSA-N 1 1 298.365 3.009 20 30 CGEDMO C[C@@H]1CC[C@@]2(CC[N@@H+](CC(=O)Nc3cccc(C#N)c3)C2)C1 ZINC000359567276 534205474 /nfs/dbraw/zinc/20/54/74/534205474.db2.gz WUIZDNIWHVRENO-RDTXWAMCSA-N 1 1 297.402 3.009 20 30 CGEDMO CC[C@H]1CC[C@@H](C)[N@H+]1CCOc1cccc(C#N)c1 ZINC000124585181 536093627 /nfs/dbraw/zinc/09/36/27/536093627.db2.gz OAGSARKCTAQQNB-HIFRSBDPSA-N 1 1 258.365 3.200 20 30 CGEDMO C[C@@H]1CC[C@]2(CC[N@@H+](Cc3cnc4ccc(C#N)cn34)C2)C1 ZINC000368086553 534265202 /nfs/dbraw/zinc/26/52/02/534265202.db2.gz QNXACZFPALAVCL-KDOFPFPSSA-N 1 1 294.402 3.218 20 30 CGEDMO Cc1nc(NCCCC[N@H+](C)C2CC2)c(Cl)cc1C#N ZINC000413348607 534489004 /nfs/dbraw/zinc/48/90/04/534489004.db2.gz OYYNOZFTBSHXDT-UHFFFAOYSA-N 1 1 292.814 3.201 20 30 CGEDMO CC1(C)C[N@H+](Cc2ccc(C#N)s2)[C@@H]1[C@@H]1CCCO1 ZINC000291516349 520476671 /nfs/dbraw/zinc/47/66/71/520476671.db2.gz ISJHIBWPAUSVNU-UONOGXRCSA-N 1 1 276.405 3.009 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)s2)[C@@H]1[C@@H]1CCCO1 ZINC000291516349 520476677 /nfs/dbraw/zinc/47/66/77/520476677.db2.gz ISJHIBWPAUSVNU-UONOGXRCSA-N 1 1 276.405 3.009 20 30 CGEDMO Cc1cccc(-c2n[nH]cc2C[NH+]2CCC(F)(C#N)CC2)c1 ZINC000348706375 534554179 /nfs/dbraw/zinc/55/41/79/534554179.db2.gz HLRWSJIZIBIUQI-UHFFFAOYSA-N 1 1 298.365 3.213 20 30 CGEDMO N#CCCCOc1cccc(C[N@@H+]2CCC[C@H]2CF)c1 ZINC000354520626 534615791 /nfs/dbraw/zinc/61/57/91/534615791.db2.gz KYMYUIFBIAKQRC-HNNXBMFYSA-N 1 1 276.355 3.303 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCC[C@@]3(CCCOC3)C2)cc1 ZINC000336498384 534717474 /nfs/dbraw/zinc/71/74/74/534717474.db2.gz AAJWCRXHKIBQAU-GOSISDBHSA-N 1 1 284.403 3.145 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000177575309 534785677 /nfs/dbraw/zinc/78/56/77/534785677.db2.gz OXCVPAHRPJTTQK-OKILXGFUSA-N 1 1 258.340 3.319 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@@H]1CCN(c2ccccc2)C1=O ZINC000352016555 526440605 /nfs/dbraw/zinc/44/06/05/526440605.db2.gz YCWWOHCLGRRYIV-MRXNPFEDSA-N 1 1 272.392 3.080 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1ncccc1C ZINC000352797466 526562116 /nfs/dbraw/zinc/56/21/16/526562116.db2.gz IKNCCTZPHDNPDY-UHFFFAOYSA-N 1 1 286.375 3.054 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1ncccc1C ZINC000352797466 526562118 /nfs/dbraw/zinc/56/21/18/526562118.db2.gz IKNCCTZPHDNPDY-UHFFFAOYSA-N 1 1 286.375 3.054 20 30 CGEDMO C=CCOCCC[N@H+](C)Cc1ccccc1Br ZINC000347965527 526747390 /nfs/dbraw/zinc/74/73/90/526747390.db2.gz MAAXYWFUGYQQAQ-UHFFFAOYSA-N 1 1 298.224 3.474 20 30 CGEDMO C=CCOc1cccc(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000344239922 526911673 /nfs/dbraw/zinc/91/16/73/526911673.db2.gz QPPVTRQEFPXINB-OKILXGFUSA-N 1 1 288.391 3.063 20 30 CGEDMO C=CCOc1ccccc1C[N@H+](C)Cc1ccccn1 ZINC000350393298 526928798 /nfs/dbraw/zinc/92/87/98/526928798.db2.gz PVSIZYMIUFJOCE-UHFFFAOYSA-N 1 1 268.360 3.278 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+](C)Cc1ccccn1 ZINC000350393298 526928804 /nfs/dbraw/zinc/92/88/04/526928804.db2.gz PVSIZYMIUFJOCE-UHFFFAOYSA-N 1 1 268.360 3.278 20 30 CGEDMO CC1=CCC[N@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000436273854 528102660 /nfs/dbraw/zinc/10/26/60/528102660.db2.gz VSSWCMDSBGMPTN-UHFFFAOYSA-N 1 1 291.192 3.473 20 30 CGEDMO CC1=CCC[N@@H+](Cc2ccc(C#N)cc2Br)C1 ZINC000436273854 528102664 /nfs/dbraw/zinc/10/26/64/528102664.db2.gz VSSWCMDSBGMPTN-UHFFFAOYSA-N 1 1 291.192 3.473 20 30 CGEDMO CC[C@@H](CSC)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000091097641 535767074 /nfs/dbraw/zinc/76/70/74/535767074.db2.gz IXRHADFWXORZKK-AWEZNQCLSA-N 1 1 278.421 3.010 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000123789382 536645225 /nfs/dbraw/zinc/64/52/25/536645225.db2.gz GCCDMJBVRKOHMF-BETUJISGSA-N 1 1 258.365 3.330 20 30 CGEDMO COc1cccc(N[NH+]=Cc2ccc(N(C)C)c(F)c2)c1 ZINC000727651187 571759044 /nfs/dbraw/zinc/75/90/44/571759044.db2.gz MFNILDQOEYDGSL-UHFFFAOYSA-N 1 1 287.338 3.346 20 30 CGEDMO CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000593957813 571987141 /nfs/dbraw/zinc/98/71/41/571987141.db2.gz JWVWSZKHACULPX-GOSISDBHSA-N 1 1 277.371 3.463 20 30 CGEDMO CCCCCCCCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000725803305 572409311 /nfs/dbraw/zinc/40/93/11/572409311.db2.gz GTCXWIPLRAOUIS-HNNXBMFYSA-N 1 1 268.445 3.195 20 30 CGEDMO C=C(Br)C[N@@H+](C)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000741054849 572480045 /nfs/dbraw/zinc/48/00/45/572480045.db2.gz YQULYZHCJSCPTL-GHMZBOCLSA-N 1 1 276.218 3.030 20 30 CGEDMO C=C(Br)C[N@H+](C)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000741054849 572480049 /nfs/dbraw/zinc/48/00/49/572480049.db2.gz YQULYZHCJSCPTL-GHMZBOCLSA-N 1 1 276.218 3.030 20 30 CGEDMO C[C@@H]1CC(N=Nc2ccc3ccccc3n2)CC[N@H+]1C ZINC000741451481 572498400 /nfs/dbraw/zinc/49/84/00/572498400.db2.gz ILIZUKFRWPTIIY-GFCCVEGCSA-N 1 1 268.364 3.117 20 30 CGEDMO C[C@H]1CC(N=Nc2nc3ccccc3s2)CC[N@H+]1C ZINC000741450794 572498847 /nfs/dbraw/zinc/49/88/47/572498847.db2.gz BCGPFOTZSSDTBI-JTQLQIEISA-N 1 1 274.393 3.178 20 30 CGEDMO CC[N@H+]1CCC(=NN[C@@H](C)c2ccccc2)[C@H](C)C1 ZINC000741461138 572499714 /nfs/dbraw/zinc/49/97/14/572499714.db2.gz FFEQUMPFDKAZHK-KGLIPLIRSA-N 1 1 259.397 3.055 20 30 CGEDMO CCCCCCCCC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000741722886 572520496 /nfs/dbraw/zinc/52/04/96/572520496.db2.gz TYRRQOQVRUOVPM-CABCVRRESA-N 1 1 268.445 3.336 20 30 CGEDMO C=CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000733897782 572610801 /nfs/dbraw/zinc/61/08/01/572610801.db2.gz NOPZDDSNCAHRMN-UHFFFAOYSA-N 1 1 290.407 3.199 20 30 CGEDMO C#CC[N@@H+](CC#CC)Cc1ccc(C(F)(F)F)cc1 ZINC000743853029 572690449 /nfs/dbraw/zinc/69/04/49/572690449.db2.gz OKCUAMHPCJKLBU-UHFFFAOYSA-N 1 1 265.278 3.164 20 30 CGEDMO C#CC[N@H+](CC#CC)Cc1ccc(C(F)(F)F)cc1 ZINC000743853029 572690453 /nfs/dbraw/zinc/69/04/53/572690453.db2.gz OKCUAMHPCJKLBU-UHFFFAOYSA-N 1 1 265.278 3.164 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000735310306 572714266 /nfs/dbraw/zinc/71/42/66/572714266.db2.gz XUILMKHXBIWNIB-LLVKDONJSA-N 1 1 264.756 3.084 20 30 CGEDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000744443221 572754224 /nfs/dbraw/zinc/75/42/24/572754224.db2.gz IJQDBRFQDXDFIQ-PBHICJAKSA-N 1 1 294.402 3.500 20 30 CGEDMO C#CC[N@H+](Cc1ccc2cc(OC)ccc2c1)C1CC1 ZINC000746114861 572854138 /nfs/dbraw/zinc/85/41/38/572854138.db2.gz XZCGBBXLDLFUGV-UHFFFAOYSA-N 1 1 265.356 3.446 20 30 CGEDMO C#CC[N@H+](CC)Cc1c(C)cc(C)c(C(C)=O)c1C ZINC000746456947 572871909 /nfs/dbraw/zinc/87/19/09/572871909.db2.gz SXJHPZRNOHPRSP-UHFFFAOYSA-N 1 1 257.377 3.270 20 30 CGEDMO C#CC[N@@H+](CC)CCOc1ccc(C(F)(F)F)cc1 ZINC000746456833 572872131 /nfs/dbraw/zinc/87/21/31/572872131.db2.gz MWUBFKTYMFTXLJ-UHFFFAOYSA-N 1 1 271.282 3.039 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](C)[C@H]1CNC(=O)OC(C)(C)C ZINC000747967037 572956744 /nfs/dbraw/zinc/95/67/44/572956744.db2.gz HYYYHBDIDVUHCO-UONOGXRCSA-N 1 1 282.428 3.188 20 30 CGEDMO CCCCCCCC(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000748511563 572979525 /nfs/dbraw/zinc/97/95/25/572979525.db2.gz SRJJQSVHJCAAEC-UHFFFAOYSA-N 1 1 263.385 3.447 20 30 CGEDMO C=C(C[NH2+]Cc1cnn(-c2ccccc2)n1)c1ccccc1 ZINC000750084808 573080890 /nfs/dbraw/zinc/08/08/90/573080890.db2.gz ZCAMSXTZNSTVLH-UHFFFAOYSA-N 1 1 290.370 3.070 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)C2CCC2)CC1 ZINC000948139742 613256449 /nfs/dbraw/zinc/25/64/49/613256449.db2.gz KIXHLEHKABOJIC-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C2(C)CCCC2)C1 ZINC000967525018 613263356 /nfs/dbraw/zinc/26/33/56/613263356.db2.gz LYFZXBZVZITKLF-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2CCCCC2)[C@@H](C)C1 ZINC000941759764 613265946 /nfs/dbraw/zinc/26/59/46/613265946.db2.gz FKMYIEKWKBKBOT-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccsc2)C[C@H]1C ZINC000947027383 613272557 /nfs/dbraw/zinc/27/25/57/613272557.db2.gz RRIFCYKVXBQORT-HIFRSBDPSA-N 1 1 292.448 3.297 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCC)C2)C1 ZINC000961103240 613273676 /nfs/dbraw/zinc/27/36/76/613273676.db2.gz WBWOWCMXKKOVLD-IRXDYDNUSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)[C@H](C)C2CCC2)C(C)(C)C1 ZINC000974719162 613277365 /nfs/dbraw/zinc/27/73/65/613277365.db2.gz KKPZNXHDDIHRLS-ZBFHGGJFSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)C2CCCCCC2)C1 ZINC000971178775 613288198 /nfs/dbraw/zinc/28/81/98/613288198.db2.gz YBDXEGYENKOCDR-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2csc(Cl)c2)C1 ZINC000972474854 613291999 /nfs/dbraw/zinc/29/19/99/613291999.db2.gz GQELJHCNZNPAGE-LBPRGKRZSA-N 1 1 298.839 3.124 20 30 CGEDMO C=C(C)C[N@H+]1CCCC2(CN(C(=O)C3(C)CCCC3)C2)C1 ZINC000981921749 613305028 /nfs/dbraw/zinc/30/50/28/613305028.db2.gz CGMZTEZJHYSMEL-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)C[C@H]2C=CCC2)CC1 ZINC000948173041 613313730 /nfs/dbraw/zinc/31/37/30/613313730.db2.gz HGQGSFJESDJJJI-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@H](C)C2CCC2)CC1 ZINC000948541651 613314888 /nfs/dbraw/zinc/31/48/88/613314888.db2.gz HJVZTLVEPZYYRP-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2(F)CCCCC2)C[C@H]1C ZINC000947894504 613326941 /nfs/dbraw/zinc/32/69/41/613326941.db2.gz ALFSKKGWUPQYTP-HUUCEWRRSA-N 1 1 296.430 3.204 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)C2CCC2)C(C)(C)C1 ZINC000940837350 613328766 /nfs/dbraw/zinc/32/87/66/613328766.db2.gz SJVLWVKREMDKPU-GOEBONIOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)CC2CCCCC2)C1 ZINC000964770924 613332713 /nfs/dbraw/zinc/33/27/13/613332713.db2.gz JNLKWWVQYOIWFE-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccoc2CC)C[C@H]1C ZINC000947265126 613336451 /nfs/dbraw/zinc/33/64/51/613336451.db2.gz DGMNLMDRPONBDD-KGLIPLIRSA-N 1 1 290.407 3.001 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CCC[N@H+](CCCC)CC1 ZINC000981242627 613367578 /nfs/dbraw/zinc/36/75/78/613367578.db2.gz PHFBPNDIBHZBNJ-UHFFFAOYSA-N 1 1 286.847 3.100 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@]2(C)CC=CCC2)C1 ZINC000971597279 613368776 /nfs/dbraw/zinc/36/87/76/613368776.db2.gz PYSKHZBQDWMPGR-ZBFHGGJFSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@]2(C)CC=CCC2)C1 ZINC000971597279 613368777 /nfs/dbraw/zinc/36/87/77/613368777.db2.gz PYSKHZBQDWMPGR-ZBFHGGJFSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)CC2(C)CCCC2)C1 ZINC000971484202 613369642 /nfs/dbraw/zinc/36/96/42/613369642.db2.gz MPKZWJGXGCNFLG-AWEZNQCLSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)CC2(C)CCCC2)C1 ZINC000971484202 613369643 /nfs/dbraw/zinc/36/96/43/613369643.db2.gz MPKZWJGXGCNFLG-AWEZNQCLSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC000972272519 613370281 /nfs/dbraw/zinc/37/02/81/613370281.db2.gz QCDTUZVKRGECAT-KGLIPLIRSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC000972272519 613370282 /nfs/dbraw/zinc/37/02/82/613370282.db2.gz QCDTUZVKRGECAT-KGLIPLIRSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)(C)C2CC2)C[C@@H]1C ZINC000947632632 613378071 /nfs/dbraw/zinc/37/80/71/613378071.db2.gz DFIJGRXWBLLSAY-JSGCOSHPSA-N 1 1 298.858 3.144 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C2CC2)C[C@@H]1C ZINC000947632632 613378072 /nfs/dbraw/zinc/37/80/72/613378072.db2.gz DFIJGRXWBLLSAY-JSGCOSHPSA-N 1 1 298.858 3.144 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@@H]([C@H]3CCC[N@@H+]3CC)C2)C1 ZINC000963361768 613393588 /nfs/dbraw/zinc/39/35/88/613393588.db2.gz UODRHIXAWMZDQR-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](C[C@H](C)CC)CC2(C)C)C1 ZINC000975025773 613398555 /nfs/dbraw/zinc/39/85/55/613398555.db2.gz KFWDWQAEBMHGOQ-UKRRQHHQSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CCC3CC3)[C@@H](C)C2)C1 ZINC000947701494 613400898 /nfs/dbraw/zinc/40/08/98/613400898.db2.gz CJMTYABAGUVUEM-HOCLYGCPSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[N@H+](CCCC)CC2)CC1 ZINC000981873502 613404006 /nfs/dbraw/zinc/40/40/06/613404006.db2.gz NQVQFNUMQIUSGV-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]([N@@H+](C)CCC2CCCC2)C1 ZINC000972077915 613438535 /nfs/dbraw/zinc/43/85/35/613438535.db2.gz AXLNRDAGHVNMLH-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)c2occc2C(C)C)C1 ZINC000951368877 613481542 /nfs/dbraw/zinc/48/15/42/613481542.db2.gz NNCWZXUUZNDTBG-UHFFFAOYSA-N 1 1 290.407 3.125 20 30 CGEDMO C=CCC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC000968744394 613490699 /nfs/dbraw/zinc/49/06/99/613490699.db2.gz IILXSSNJVLKTEY-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CCC ZINC000969023134 613491108 /nfs/dbraw/zinc/49/11/08/613491108.db2.gz NNWVTCGJAVUZOA-IXDOHACOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1cocc1C ZINC000968984706 613491774 /nfs/dbraw/zinc/49/17/74/613491774.db2.gz HODGTRKGVLBLKW-HNNXBMFYSA-N 1 1 290.407 3.139 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000963403070 613500339 /nfs/dbraw/zinc/50/03/39/613500339.db2.gz IPPOMVGSFVBDNX-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC23CCC3)CC1 ZINC000948820618 613500767 /nfs/dbraw/zinc/50/07/67/613500767.db2.gz NMYFOWHADAFEFV-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC2(C1)CCC[N@@H+](CC(=C)C)C2 ZINC000981982014 613501182 /nfs/dbraw/zinc/50/11/82/613501182.db2.gz FJKDITAFDFKQQS-QGZVFWFLSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[NH+]1CCN(C(=O)c2cc3c(cccc3C)o2)CC1 ZINC000957840669 613510088 /nfs/dbraw/zinc/51/00/88/613510088.db2.gz XGNUKZYJJQHKEV-UHFFFAOYSA-N 1 1 298.386 3.075 20 30 CGEDMO C=CCC[NH+]1CCN(C(=O)c2ccc(C(C)C)s2)CC1 ZINC000957827066 613510136 /nfs/dbraw/zinc/51/01/36/613510136.db2.gz XTASALPFYTZNTF-UHFFFAOYSA-N 1 1 292.448 3.205 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2(C)CCCCC2)C1 ZINC000968190703 613516702 /nfs/dbraw/zinc/51/67/02/613516702.db2.gz LNOUEGONGQCOAO-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)c2cccs2)C(C)(C)C1 ZINC000940550231 613525356 /nfs/dbraw/zinc/52/53/56/613525356.db2.gz JANYSIRMWIYXGC-CQSZACIVSA-N 1 1 292.448 3.155 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)=C2CCCC2)C[C@@H]1C ZINC000947195749 613533218 /nfs/dbraw/zinc/53/32/18/613533218.db2.gz MYCDONMUQVFUNU-YOEHRIQHSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2sccc2C)C1 ZINC000964682906 613533411 /nfs/dbraw/zinc/53/34/11/613533411.db2.gz GQCLJFKGJMEWRZ-GXTWGEPZSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2(F)CCCCC2)C[C@@H]1C ZINC000947900687 613534248 /nfs/dbraw/zinc/53/42/48/613534248.db2.gz UTACAHFJDCGBCI-GJZGRUSLSA-N 1 1 296.430 3.204 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)C=C2CCCCC2)[C@@H](C)C1 ZINC000941873929 613535056 /nfs/dbraw/zinc/53/50/56/613535056.db2.gz JPYMCIZMJUDEEL-RDJZCZTQSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)c2ccc(C)s2)[C@H](C)C1 ZINC000941756257 613538184 /nfs/dbraw/zinc/53/81/84/613538184.db2.gz QFSTVGSARWQERT-OCCSQVGLSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cscc2C)C[C@H]1C ZINC000947169994 613542299 /nfs/dbraw/zinc/54/22/99/613542299.db2.gz BLVIDAGCJMOZIX-KGLIPLIRSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)CC2CCCCC2)C1 ZINC000972456491 613629612 /nfs/dbraw/zinc/62/96/12/613629612.db2.gz AGMFCVABGHQBKK-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](F)CC2CCCCC2)C1 ZINC000972736515 613632831 /nfs/dbraw/zinc/63/28/31/613632831.db2.gz YXSIEODTMWOSSU-JKSUJKDBSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCCC12CC2 ZINC000968913448 613685371 /nfs/dbraw/zinc/68/53/71/613685371.db2.gz GMXGJAOIKXXJDV-HOTGVXAUSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1sccc1F ZINC000968847086 613687927 /nfs/dbraw/zinc/68/79/27/613687927.db2.gz UFQGLFHEVZBYFL-LBPRGKRZSA-N 1 1 296.411 3.048 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C(F)=C(C)C)C1 ZINC000963288128 613706450 /nfs/dbraw/zinc/70/64/50/613706450.db2.gz YGESDLSZENRFFC-GJZGRUSLSA-N 1 1 294.414 3.139 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)C2CCCCCCC2)[C@H](C)C1 ZINC000942431819 613741902 /nfs/dbraw/zinc/74/19/02/613741902.db2.gz NMMWPMIAVDAXDY-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C23CCC(CC2)CC3)C[C@@H]1C ZINC000948071132 613780424 /nfs/dbraw/zinc/78/04/24/613780424.db2.gz VPCHKSJQYRUKLM-VUGNNNGISA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2occc2C(C)C)[C@@H](C)C1 ZINC000942577602 613800985 /nfs/dbraw/zinc/80/09/85/613800985.db2.gz MTKGLFDUQHBVHR-ZFWWWQNUSA-N 1 1 290.407 3.029 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C2(C)CCC(C)CC2)C(C)(C)C1 ZINC000977641100 613806182 /nfs/dbraw/zinc/80/61/82/613806182.db2.gz ICJBJVKNHNAZIU-SWKXRBFHSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccccc3C)C[C@H]2C1 ZINC000979483940 613820064 /nfs/dbraw/zinc/82/00/64/613820064.db2.gz YXWYRZIIIPXOQG-YESZJQIVSA-N 1 1 298.430 3.011 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCC(C)=C(C)C2)C(C)(C)C1 ZINC000974642843 613828063 /nfs/dbraw/zinc/82/80/63/613828063.db2.gz YRRXPNWTAJZVJJ-HOTGVXAUSA-N 1 1 290.451 3.136 20 30 CGEDMO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)N[C@@H](C)CC(C)(C)C#N ZINC000924765367 620731250 /nfs/dbraw/zinc/73/12/50/620731250.db2.gz LTODGBKCCLPHIS-ILXRZTDVSA-N 1 1 265.445 3.025 20 30 CGEDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)N[C@@H](C)CC(C)(C)C#N ZINC000924765367 620731252 /nfs/dbraw/zinc/73/12/52/620731252.db2.gz LTODGBKCCLPHIS-ILXRZTDVSA-N 1 1 265.445 3.025 20 30 CGEDMO C[C@H](c1ccc(Cl)cc1)[N@H+](C)CCO[C@@H](C)C#N ZINC000306054632 617782009 /nfs/dbraw/zinc/78/20/09/617782009.db2.gz UKFGUWYWXZXWIJ-NWDGAFQWSA-N 1 1 266.772 3.261 20 30 CGEDMO C=CCCCCCCNC(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000807570538 617856724 /nfs/dbraw/zinc/85/67/24/617856724.db2.gz TWNDZSFFJYVANG-MRXNPFEDSA-N 1 1 295.471 3.106 20 30 CGEDMO C=CC[N@H+](C)C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000121438251 618220592 /nfs/dbraw/zinc/22/05/92/618220592.db2.gz BUXLOGASLPOFOL-GFCCVEGCSA-N 1 1 260.164 3.145 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1C[C@]1(C)Br ZINC000891605005 618241607 /nfs/dbraw/zinc/24/16/07/618241607.db2.gz VXDBRLBHKMQQQW-KGLIPLIRSA-N 1 1 293.208 3.164 20 30 CGEDMO C[N@H+](Cc1cnn(CC2CCC2)c1)Cc1ccc(C#N)cc1 ZINC000891604343 618241637 /nfs/dbraw/zinc/24/16/37/618241637.db2.gz GMAVIKDUCGMKGC-UHFFFAOYSA-N 1 1 294.402 3.187 20 30 CGEDMO C[N@@H+](Cc1cnn(CC2CCC2)c1)Cc1ccc(C#N)cc1 ZINC000891604343 618241638 /nfs/dbraw/zinc/24/16/38/618241638.db2.gz GMAVIKDUCGMKGC-UHFFFAOYSA-N 1 1 294.402 3.187 20 30 CGEDMO C=CC[N@@H+](Cc1cn(CC)nc1C)Cc1ccccc1 ZINC000891673659 618245452 /nfs/dbraw/zinc/24/54/52/618245452.db2.gz BDHNCTYZGZIRBD-UHFFFAOYSA-N 1 1 269.392 3.400 20 30 CGEDMO C=CC[N@H+](Cc1cn(CC)nc1C)Cc1ccccc1 ZINC000891673659 618245454 /nfs/dbraw/zinc/24/54/54/618245454.db2.gz BDHNCTYZGZIRBD-UHFFFAOYSA-N 1 1 269.392 3.400 20 30 CGEDMO C[C@@H]1C[C@H](C[N@@H+](C)Cc2cc(C#N)cs2)C[C@H](C)O1 ZINC000933769697 618320469 /nfs/dbraw/zinc/32/04/69/618320469.db2.gz CRCMVSNYHOCUTD-ITGUQSILSA-N 1 1 278.421 3.255 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)cs1)C[C@@H]1CC1(Cl)Cl ZINC000933780585 618327867 /nfs/dbraw/zinc/32/78/67/618327867.db2.gz RLDXVIJEDGMWJC-VIFPVBQESA-N 1 1 275.204 3.245 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@@H]1CC1(Cl)Cl ZINC000933780585 618327878 /nfs/dbraw/zinc/32/78/78/618327878.db2.gz RLDXVIJEDGMWJC-VIFPVBQESA-N 1 1 275.204 3.245 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCCSC[C@H]2C2CC2)cc1 ZINC000933911091 618372825 /nfs/dbraw/zinc/37/28/25/618372825.db2.gz AGTYAVDMHREDQO-KRWDZBQOSA-N 1 1 286.444 3.318 20 30 CGEDMO CC(C)CC(N)=[NH+]OCc1coc(-c2ccc(F)cc2)n1 ZINC000065204218 618448742 /nfs/dbraw/zinc/44/87/42/618448742.db2.gz FKIYUACQZNGTKO-UHFFFAOYSA-N 1 1 291.326 3.316 20 30 CGEDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000934105875 618464999 /nfs/dbraw/zinc/46/49/99/618464999.db2.gz QLEVGCLEBYNXFC-LSDHHAIUSA-N 1 1 297.320 3.166 20 30 CGEDMO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC000900799828 620813647 /nfs/dbraw/zinc/81/36/47/620813647.db2.gz LLHFFJJTNDSNTB-GDBMZVCRSA-N 1 1 278.440 3.064 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](Cc2csc(C#N)c2)CCS1 ZINC000892197306 618589215 /nfs/dbraw/zinc/58/92/15/618589215.db2.gz LLAFQMGTFYZKRS-ZDUSSCGKSA-N 1 1 266.435 3.193 20 30 CGEDMO CC(C)C[N@H+](CCC#N)CCCOc1cccc(C#N)c1 ZINC000043416413 618593076 /nfs/dbraw/zinc/59/30/76/618593076.db2.gz WZRLPCYBMJYWRM-UHFFFAOYSA-N 1 1 285.391 3.199 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1ncc(-c2ccccc2)o1 ZINC000934471783 618627379 /nfs/dbraw/zinc/62/73/79/618627379.db2.gz KJJHFZRRHRJEMU-AWEZNQCLSA-N 1 1 254.333 3.492 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1ncc(-c2ccccc2)o1 ZINC000934471783 618627382 /nfs/dbraw/zinc/62/73/82/618627382.db2.gz KJJHFZRRHRJEMU-AWEZNQCLSA-N 1 1 254.333 3.492 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000310851430 618873565 /nfs/dbraw/zinc/87/35/65/618873565.db2.gz RAOQBOYDAPZPDO-KBPBESRZSA-N 1 1 252.402 3.063 20 30 CGEDMO C=CC[C@@H]([NH2+]Cc1ccnc(OC)c1F)c1ccncc1 ZINC000892971863 618967105 /nfs/dbraw/zinc/96/71/05/618967105.db2.gz FFFRNEWXKLXEPT-CQSZACIVSA-N 1 1 287.338 3.031 20 30 CGEDMO C#CCOc1ccccc1C[NH2+]Cc1ccccc1F ZINC000020091174 618975424 /nfs/dbraw/zinc/97/54/24/618975424.db2.gz NCHBLQFIXJQRST-UHFFFAOYSA-N 1 1 269.319 3.128 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000775183425 619005720 /nfs/dbraw/zinc/00/57/20/619005720.db2.gz LYJVANJMQDFOCR-SNVBAGLBSA-N 1 1 257.255 3.039 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1ccc(OC(=O)CC)c(OCC)c1 ZINC000840898582 619008806 /nfs/dbraw/zinc/00/88/06/619008806.db2.gz IBHAQZAOCVQKPC-UHFFFAOYSA-N 1 1 297.782 3.243 20 30 CGEDMO C=C(Br)C[NH2+][C@@H](c1cnn(C)c1)C(C)(C)C ZINC000309597882 619041466 /nfs/dbraw/zinc/04/14/66/619041466.db2.gz VJBOJAOIRORURT-NSHDSACASA-N 1 1 286.217 3.006 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CCC)cc2)C1 ZINC001008339619 619083175 /nfs/dbraw/zinc/08/31/75/619083175.db2.gz JTQNSTXCPUVWLL-QGZVFWFLSA-N 1 1 286.419 3.019 20 30 CGEDMO CC[C@@H]1CC[C@H](C)[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000312573375 619092548 /nfs/dbraw/zinc/09/25/48/619092548.db2.gz LWWOZDAICBYSDK-JJRVBVJISA-N 1 1 272.392 3.102 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cnc(F)cc1C ZINC000893418894 619169658 /nfs/dbraw/zinc/16/96/58/619169658.db2.gz AVOKRHPNUBGRLG-UHFFFAOYSA-N 1 1 274.339 3.353 20 30 CGEDMO Cc1cnc(Cl)c(C[NH+]2CCC(CC#N)CC2)c1 ZINC000893488401 619190320 /nfs/dbraw/zinc/19/03/20/619190320.db2.gz TXGVSQFHFLIWOZ-UHFFFAOYSA-N 1 1 263.772 3.169 20 30 CGEDMO COCCCC1(C[N@H+]2CCC[C@@](C)(C#N)C2)CCC1 ZINC000893523487 619202982 /nfs/dbraw/zinc/20/29/82/619202982.db2.gz FBIMFBDMIAUMMB-HNNXBMFYSA-N 1 1 264.413 3.209 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCCCC2(C)C)C1 ZINC001009768783 619204435 /nfs/dbraw/zinc/20/44/35/619204435.db2.gz PLPLUAOYGBTFPB-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1c(C)ccnc1N ZINC000893968670 619341809 /nfs/dbraw/zinc/34/18/09/619341809.db2.gz JSQSNRFSKPAUIM-UHFFFAOYSA-N 1 1 297.402 3.169 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1c(C)ccnc1N ZINC000893968670 619341810 /nfs/dbraw/zinc/34/18/10/619341810.db2.gz JSQSNRFSKPAUIM-UHFFFAOYSA-N 1 1 297.402 3.169 20 30 CGEDMO N#CC1(C[NH2+]Cc2cccc(Oc3ccccn3)c2)CC1 ZINC000894203628 619413244 /nfs/dbraw/zinc/41/32/44/619413244.db2.gz GZBRTIHPJTYHBE-UHFFFAOYSA-N 1 1 279.343 3.267 20 30 CGEDMO C[C@H]1CC(=NOCC2CC2)C[N@H+](Cc2ccccc2)C1 ZINC000814244152 619418421 /nfs/dbraw/zinc/41/84/21/619418421.db2.gz GNGCZSGBBIJDPB-AWEZNQCLSA-N 1 1 272.392 3.311 20 30 CGEDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2csc(C#N)c2)C12CCC2 ZINC000894753842 619622713 /nfs/dbraw/zinc/62/27/13/619622713.db2.gz NUIGAESNTUGHLM-KGLIPLIRSA-N 1 1 276.405 3.009 20 30 CGEDMO C#CCOc1ccccc1C[N@H+](CC)Cc1ccoc1 ZINC000092935915 619718457 /nfs/dbraw/zinc/71/84/57/619718457.db2.gz TVARDJUBEYDDQV-UHFFFAOYSA-N 1 1 269.344 3.314 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+](CC)Cc1ccoc1 ZINC000092935915 619718460 /nfs/dbraw/zinc/71/84/60/619718460.db2.gz TVARDJUBEYDDQV-UHFFFAOYSA-N 1 1 269.344 3.314 20 30 CGEDMO Cc1nn(-c2ccccc2C)c(C)c1C[NH+]1CC(CC#N)C1 ZINC000895253967 619792135 /nfs/dbraw/zinc/79/21/35/619792135.db2.gz MVWWSTYTHVQMLD-UHFFFAOYSA-N 1 1 294.402 3.143 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)cs1 ZINC000895403970 619823814 /nfs/dbraw/zinc/82/38/14/619823814.db2.gz HWOPFFMBJMGNCR-HOCLYGCPSA-N 1 1 290.432 3.401 20 30 CGEDMO CSCc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000895450492 619831665 /nfs/dbraw/zinc/83/16/65/619831665.db2.gz IUWHLROEOIIRKV-HNNXBMFYSA-N 1 1 260.406 3.285 20 30 CGEDMO CSCc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000895450492 619831667 /nfs/dbraw/zinc/83/16/67/619831667.db2.gz IUWHLROEOIIRKV-HNNXBMFYSA-N 1 1 260.406 3.285 20 30 CGEDMO C[C@@H](CCC#N)CN1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000895551274 619848520 /nfs/dbraw/zinc/84/85/20/619848520.db2.gz HRZGWCDQXUHJKK-IRXDYDNUSA-N 1 1 285.435 3.305 20 30 CGEDMO C=C(C)C[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)C(=O)OCC ZINC000895593234 619857383 /nfs/dbraw/zinc/85/73/83/619857383.db2.gz YDINOQPCQAGKJF-QLFBSQMISA-N 1 1 297.439 3.068 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@H](O)C[C@H]2c2ccccc2)cs1 ZINC000895708427 619874579 /nfs/dbraw/zinc/87/45/79/619874579.db2.gz KRCFMDVCVYXJTC-RDJZCZTQSA-N 1 1 298.411 3.318 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CC[C@H](O)C[C@H]2c2ccccc2)cs1 ZINC000895708427 619874580 /nfs/dbraw/zinc/87/45/80/619874580.db2.gz KRCFMDVCVYXJTC-RDJZCZTQSA-N 1 1 298.411 3.318 20 30 CGEDMO C#CCC1([NH2+]Cc2csc(C(F)(F)F)n2)CCC1 ZINC000897350633 620222406 /nfs/dbraw/zinc/22/24/06/620222406.db2.gz GUUGMJHDGNMGAG-UHFFFAOYSA-N 1 1 274.311 3.198 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2CC23CCCC3)CC1 ZINC000985738278 620234380 /nfs/dbraw/zinc/23/43/80/620234380.db2.gz PFJPXPXGEYEJLM-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@H]1C[C@@]1(C)Br ZINC000897624497 620411719 /nfs/dbraw/zinc/41/17/19/620411719.db2.gz MAOZODLAKOJKKR-ZYHUDNBSSA-N 1 1 299.237 3.225 20 30 CGEDMO C#CCCCCCCN1CCC([NH2+]C2CCC2)CC1 ZINC000897980563 620461575 /nfs/dbraw/zinc/46/15/75/620461575.db2.gz BSZVDKRSKZVCAD-UHFFFAOYSA-N 1 1 262.441 3.177 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1cc(C#N)cnc1Cl ZINC000898244677 620496358 /nfs/dbraw/zinc/49/63/58/620496358.db2.gz PGGYWEYLHPBUOM-UHFFFAOYSA-N 1 1 263.772 3.395 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)c3ccccc3)CCC[C@@H]12 ZINC000989916310 620531407 /nfs/dbraw/zinc/53/14/07/620531407.db2.gz SFAQBDGPHNZISY-MJGOQNOKSA-N 1 1 298.430 3.380 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)C3CCCCC3)CCC[C@H]12 ZINC000989918749 620531867 /nfs/dbraw/zinc/53/18/67/620531867.db2.gz DJKRTQXOQHGBEY-FUHWJXTLSA-N 1 1 290.451 3.256 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)c3ccsc3)CCC[C@@H]12 ZINC000989935453 620532920 /nfs/dbraw/zinc/53/29/20/620532920.db2.gz GRDKGNBKVIVBGW-GDBMZVCRSA-N 1 1 290.432 3.051 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)CC3=CCCCC3)CCC[C@@H]12 ZINC000990054043 620535253 /nfs/dbraw/zinc/53/52/53/620535253.db2.gz ITMLNYIHNGKQQL-AEFFLSMTSA-N 1 1 288.435 3.176 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC3(C)C)CCC[C@H]12 ZINC000990275706 620540133 /nfs/dbraw/zinc/54/01/33/620540133.db2.gz HLRVIASWYSBQAE-RLFYNMQTSA-N 1 1 290.451 3.112 20 30 CGEDMO CCCCC[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C(C)C ZINC000042556929 621178460 /nfs/dbraw/zinc/17/84/60/621178460.db2.gz MLKYXGAOFUAKIH-QGZVFWFLSA-N 1 1 274.408 3.492 20 30 CGEDMO C=CC[C@@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccncc1 ZINC000902318173 621240893 /nfs/dbraw/zinc/24/08/93/621240893.db2.gz NRUWEXGVMXMHII-JKSUJKDBSA-N 1 1 273.424 3.067 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@@]1(C)Cc1ccccc1 ZINC000801941966 621550058 /nfs/dbraw/zinc/55/00/58/621550058.db2.gz DGUZURRHSWQSGL-WBVHZDCISA-N 1 1 272.392 3.012 20 30 CGEDMO C[C@H]([NH2+]CC(C)(C)C#N)c1ccc(C(F)F)nc1 ZINC000903101644 621574117 /nfs/dbraw/zinc/57/41/17/621574117.db2.gz KGQWLUVHWPCLSV-VIFPVBQESA-N 1 1 253.296 3.220 20 30 CGEDMO CC[NH2+]CC1CCN(Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000903424858 621751460 /nfs/dbraw/zinc/75/14/60/621751460.db2.gz JJPMRHWDBRKKQX-UHFFFAOYSA-N 1 1 291.826 3.033 20 30 CGEDMO CNc1ccccc1C[NH2+]CC1(C#N)CCCCC1 ZINC000904443215 621923135 /nfs/dbraw/zinc/92/31/35/621923135.db2.gz ZOODSHOFLOZQAK-UHFFFAOYSA-N 1 1 257.381 3.292 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2cccc(COC)c2)no1 ZINC000904564194 621938377 /nfs/dbraw/zinc/93/83/77/621938377.db2.gz OYWSRMCOPOJFLS-CQSZACIVSA-N 1 1 287.363 3.239 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccc(C)s2)no1 ZINC000904732610 621968613 /nfs/dbraw/zinc/96/86/13/621968613.db2.gz PTAYOZJHIHCCHK-SNVBAGLBSA-N 1 1 263.366 3.463 20 30 CGEDMO N#Cc1sccc1-c1cccc(C[NH+]2CCOCC2)c1 ZINC000904893866 622021097 /nfs/dbraw/zinc/02/10/97/622021097.db2.gz DFBAAWCGKQZTLT-UHFFFAOYSA-N 1 1 284.384 3.119 20 30 CGEDMO C=CC[C@@H](Nc1ccc([NH+]2CCCCC2)cc1)C(=O)OC ZINC000905747986 622099064 /nfs/dbraw/zinc/09/90/64/622099064.db2.gz SGNOOKONTJVOSW-MRXNPFEDSA-N 1 1 288.391 3.207 20 30 CGEDMO C=CCC[C@H]([NH2+]Cc1cn(C2CC2)nn1)c1ccccc1 ZINC000906285314 622208544 /nfs/dbraw/zinc/20/85/44/622208544.db2.gz FJAQDXZKUKKTHA-KRWDZBQOSA-N 1 1 282.391 3.410 20 30 CGEDMO N#CCCC[C@@H]([NH2+]Cc1cn(C2CC2)nn1)c1ccccc1 ZINC000906305014 622214533 /nfs/dbraw/zinc/21/45/33/622214533.db2.gz YXBAAHDETFTUTP-QGZVFWFLSA-N 1 1 295.390 3.138 20 30 CGEDMO Cc1ccc2c(C[NH+]3CCC(C#N)CC3)cc(=O)oc2c1C ZINC000057907373 622891467 /nfs/dbraw/zinc/89/14/67/622891467.db2.gz BRBMWJWLGNCCLE-UHFFFAOYSA-N 1 1 296.370 3.145 20 30 CGEDMO CCCCCCCC[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000157910046 622978069 /nfs/dbraw/zinc/97/80/69/622978069.db2.gz DNGRDVVIJDCXNO-OAHLLOKOSA-N 1 1 264.417 3.276 20 30 CGEDMO C=CC[N@@H+](CCCCCCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000158062960 622995002 /nfs/dbraw/zinc/99/50/02/622995002.db2.gz PVSNLMDGTPDYJE-OAHLLOKOSA-N 1 1 287.469 3.022 20 30 CGEDMO C=CC[N@H+](CCCCCCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000158062960 622995012 /nfs/dbraw/zinc/99/50/12/622995012.db2.gz PVSNLMDGTPDYJE-OAHLLOKOSA-N 1 1 287.469 3.022 20 30 CGEDMO CC(C)C[N@H+](CCC#N)Cc1ccc(F)c(C#N)c1 ZINC000229750875 623159456 /nfs/dbraw/zinc/15/94/56/623159456.db2.gz XDFVYRBNVIYXSE-UHFFFAOYSA-N 1 1 259.328 3.069 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc(F)c(C#N)c1 ZINC000229750875 623159458 /nfs/dbraw/zinc/15/94/58/623159458.db2.gz XDFVYRBNVIYXSE-UHFFFAOYSA-N 1 1 259.328 3.069 20 30 CGEDMO C#CC[N@@H+](CCc1cccnc1)[C@H]1CCc2ccccc21 ZINC000172074205 623216558 /nfs/dbraw/zinc/21/65/58/623216558.db2.gz XJEKAGOWEJSDAJ-IBGZPJMESA-N 1 1 276.383 3.247 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)C3CCC(=C)CC3)CCC[C@@H]12 ZINC000992151148 623451250 /nfs/dbraw/zinc/45/12/50/623451250.db2.gz KIFBKJLZUBDAIN-AEFFLSMTSA-N 1 1 288.435 3.032 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3ccc(C)cc3C)CCC[C@H]12 ZINC000992486528 623596353 /nfs/dbraw/zinc/59/63/53/623596353.db2.gz HEMBXLQWQCEKJL-PKOBYXMFSA-N 1 1 298.430 3.216 20 30 CGEDMO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1cncc(C#N)c1 ZINC000929766296 623612065 /nfs/dbraw/zinc/61/20/65/623612065.db2.gz KXZWWKCTODWUGJ-KRWDZBQOSA-N 1 1 280.375 3.019 20 30 CGEDMO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1cncc(C#N)c1 ZINC000929766296 623612071 /nfs/dbraw/zinc/61/20/71/623612071.db2.gz KXZWWKCTODWUGJ-KRWDZBQOSA-N 1 1 280.375 3.019 20 30 CGEDMO C#CC[N@H+](CC)Cc1cccc(NC(=O)OC(C)(C)C)c1 ZINC000760842332 623646409 /nfs/dbraw/zinc/64/64/09/623646409.db2.gz HCODZAUSVKWLMT-UHFFFAOYSA-N 1 1 288.391 3.489 20 30 CGEDMO CC(C)[C@@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000755989957 625668493 /nfs/dbraw/zinc/66/84/93/625668493.db2.gz QRCFKVQHDKUPAD-OAHLLOKOSA-N 1 1 258.365 3.067 20 30 CGEDMO C[C@@H](C#N)C[N@H+](Cc1cc2c(cc1O)CCC2)C1CC1 ZINC000753978339 623745268 /nfs/dbraw/zinc/74/52/68/623745268.db2.gz XNLGBMMBSQQOAU-LBPRGKRZSA-N 1 1 270.376 3.005 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](Cc1cc2c(cc1O)CCC2)C1CC1 ZINC000753978339 623745271 /nfs/dbraw/zinc/74/52/71/623745271.db2.gz XNLGBMMBSQQOAU-LBPRGKRZSA-N 1 1 270.376 3.005 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CC2=CCCCC2)[C@H]1C ZINC000993151441 623877490 /nfs/dbraw/zinc/87/74/90/623877490.db2.gz GEECRSXWLSVXPC-WBVHZDCISA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)=C2CCCC2)[C@H]1C ZINC000993209606 623964743 /nfs/dbraw/zinc/96/47/43/623964743.db2.gz ZZIPTCOOKOMGAK-NVXWUHKLSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C(C)=C2CCC2)[C@H]1C ZINC000993312480 624010949 /nfs/dbraw/zinc/01/09/49/624010949.db2.gz NGDSFAXJZHXNCS-GDBMZVCRSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C(C)=C2CCC2)[C@@H]1C ZINC000993320032 624019962 /nfs/dbraw/zinc/01/99/62/624019962.db2.gz WWZICAOWRUPTMI-RDJZCZTQSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C2(C3CC3)CCC2)[C@H]1C ZINC000993674545 624056784 /nfs/dbraw/zinc/05/67/84/624056784.db2.gz ZCRPVKODABYQFV-GDBMZVCRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](CC=C(C)C)[C@H]2C)C1 ZINC000993782610 624061721 /nfs/dbraw/zinc/06/17/21/624061721.db2.gz ADUZOJJRMLSKJT-JKSUJKDBSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C2(C)CC=CC2)[C@@H]1C ZINC000993781987 624062616 /nfs/dbraw/zinc/06/26/16/624062616.db2.gz YKDLAHMSUGGZCL-HOTGVXAUSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2occc2CC)[C@@H]1C ZINC000993784117 624063745 /nfs/dbraw/zinc/06/37/45/624063745.db2.gz BTBNTBBWSAYVGZ-ZFWWWQNUSA-N 1 1 290.407 3.001 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2occc2CC)[C@H]1C ZINC000993784113 624064019 /nfs/dbraw/zinc/06/40/19/624064019.db2.gz BTBNTBBWSAYVGZ-UKRRQHHQSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C)c(C)c2)[C@H]1C ZINC000994352991 624205414 /nfs/dbraw/zinc/20/54/14/624205414.db2.gz OWMDZVMGVNRIMR-NVXWUHKLSA-N 1 1 286.419 3.072 20 30 CGEDMO Cc1[nH]c(CSc2c(C)cccc2C#N)c(C)[nH+]1 ZINC000918660130 624367164 /nfs/dbraw/zinc/36/71/64/624367164.db2.gz XJAZOYMGOHMAIZ-UHFFFAOYSA-N 1 1 257.362 3.499 20 30 CGEDMO C#CCCC[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000766902046 624394661 /nfs/dbraw/zinc/39/46/61/624394661.db2.gz CNHSZLMZNHESOG-IRXDYDNUSA-N 1 1 252.361 3.172 20 30 CGEDMO C=CC[N@H+](C)Cn1c2ccccc2nc1SC(F)F ZINC000154984560 624406487 /nfs/dbraw/zinc/40/64/87/624406487.db2.gz NYRWIJRGQMLFMU-UHFFFAOYSA-N 1 1 283.347 3.426 20 30 CGEDMO C#CC[N@H+](CCOC(C)(C)C)[C@H]1CCc2ccccc21 ZINC000920258523 624463348 /nfs/dbraw/zinc/46/33/48/624463348.db2.gz OYOKTAOLPZVQFA-KRWDZBQOSA-N 1 1 271.404 3.424 20 30 CGEDMO C#CCC[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000920418133 624492218 /nfs/dbraw/zinc/49/22/18/624492218.db2.gz UQRYPCJMNKLVNC-CYBMUJFWSA-N 1 1 270.401 3.499 20 30 CGEDMO Cc1ccc(-c2ccc(C=NN3CC[NH+](C)CC3)s2)cc1 ZINC000920478230 624507806 /nfs/dbraw/zinc/50/78/06/624507806.db2.gz HFHMZCVOXVNNAF-UHFFFAOYSA-N 1 1 299.443 3.305 20 30 CGEDMO C=C(Br)C[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000075831331 624657853 /nfs/dbraw/zinc/65/78/53/624657853.db2.gz LGPOCGBRTOWKBB-CYBMUJFWSA-N 1 1 288.229 3.319 20 30 CGEDMO C#CCCOc1ccc(C[N@H+](C)C2CCCC2)cc1 ZINC000179798262 624685668 /nfs/dbraw/zinc/68/56/68/624685668.db2.gz JOFXWGGFXPZKRG-UHFFFAOYSA-N 1 1 257.377 3.463 20 30 CGEDMO C=CCC[C@H](OC(=O)c1cnn(-c2cc[nH+]cc2)c1)C1CC1 ZINC000835242929 634409955 /nfs/dbraw/zinc/40/99/55/634409955.db2.gz CULGSWVMBNJGJX-INIZCTEOSA-N 1 1 297.358 3.169 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](N(CC)C(=O)C2CCCC2)CC1 ZINC000997909846 625768127 /nfs/dbraw/zinc/76/81/27/625768127.db2.gz TYUKMZZGRLZTTQ-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)c2cc(C)co2)CC1 ZINC000998101121 625788541 /nfs/dbraw/zinc/78/85/41/625788541.db2.gz GIIAGXVXIILHBL-HNNXBMFYSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCCC[C@H]2C)CC1 ZINC001001101830 625890068 /nfs/dbraw/zinc/89/00/68/625890068.db2.gz XNKCRQXSFYQSJZ-WBVHZDCISA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[C@H](C)C2)CC1 ZINC001001225514 625893153 /nfs/dbraw/zinc/89/31/53/625893153.db2.gz KJGVCNSVYJFATD-DOTOQJQBSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)C[C@@H]2CCC[C@@H]2C)CC1 ZINC001002892322 625968049 /nfs/dbraw/zinc/96/80/49/625968049.db2.gz XXHKYGRCYFBHGP-JSGCOSHPSA-N 1 1 298.858 3.146 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2nccc3c2CCCC3)s1 ZINC000922192628 625982267 /nfs/dbraw/zinc/98/22/67/625982267.db2.gz ZLILJTGFVKRBSY-UHFFFAOYSA-N 1 1 283.400 3.183 20 30 CGEDMO N#Cc1cc(C[NH2+][C@H]2C[C@]2(F)c2ccccc2)cs1 ZINC000922197690 625982662 /nfs/dbraw/zinc/98/26/62/625982662.db2.gz JVWPNKCPQDIVOM-GJZGRUSLSA-N 1 1 272.348 3.347 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC(C)C)CC1 ZINC001004319532 626037294 /nfs/dbraw/zinc/03/72/94/626037294.db2.gz DHXGGKYPXLRULQ-KRWDZBQOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCC)CC1 ZINC001004335173 626040168 /nfs/dbraw/zinc/04/01/68/626040168.db2.gz MHAOAONETHOPRM-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](F)CC)CC1 ZINC001004498911 626064091 /nfs/dbraw/zinc/06/40/91/626064091.db2.gz JDDBHTNWSZGRCP-HZPDHXFCSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H](F)CC)CC1 ZINC001004498907 626064170 /nfs/dbraw/zinc/06/41/70/626064170.db2.gz JDDBHTNWSZGRCP-CVEARBPZSA-N 1 1 296.430 3.014 20 30 CGEDMO C#CCC1([NH2+]Cc2ncc(C(F)(F)F)s2)CCC1 ZINC000922997393 626117476 /nfs/dbraw/zinc/11/74/76/626117476.db2.gz HITXHCALLBMTMZ-UHFFFAOYSA-N 1 1 274.311 3.198 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000839149824 626317539 /nfs/dbraw/zinc/31/75/39/626317539.db2.gz SPDVTMWHGVHFBI-LLVKDONJSA-N 1 1 297.748 3.420 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000839149824 626317540 /nfs/dbraw/zinc/31/75/40/626317540.db2.gz SPDVTMWHGVHFBI-LLVKDONJSA-N 1 1 297.748 3.420 20 30 CGEDMO C#CC[N@H+](Cc1cnc(OC)c(Cl)c1)C1CCCC1 ZINC000752001096 626415102 /nfs/dbraw/zinc/41/51/02/626415102.db2.gz DNAMZGRDCFNONG-UHFFFAOYSA-N 1 1 278.783 3.121 20 30 CGEDMO C#CC[NH+](CC#C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000752303637 626424734 /nfs/dbraw/zinc/42/47/34/626424734.db2.gz WKJBOJQHOUUOFA-UHFFFAOYSA-N 1 1 284.362 3.294 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000752856228 626440910 /nfs/dbraw/zinc/44/09/10/626440910.db2.gz OZAYIXLBGGWYQE-IAGOWNOFSA-N 1 1 259.393 3.193 20 30 CGEDMO CC(C)[N@@H+]1CC(N=Nc2nc3ccccc3s2)[C@@H](C)C1 ZINC000754253168 626565397 /nfs/dbraw/zinc/56/53/97/626565397.db2.gz AWPZJVAZFWFOBL-NSHDSACASA-N 1 1 288.420 3.424 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@H+]2CC[C@@H](C)[C@H]2C)c1O ZINC000754736086 626585530 /nfs/dbraw/zinc/58/55/30/626585530.db2.gz FTHFWXGLLVWJEL-CHWSQXEVSA-N 1 1 275.392 3.360 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000755270265 626611214 /nfs/dbraw/zinc/61/12/14/626611214.db2.gz ITTUBCSMVJDZCR-ZNMIVQPWSA-N 1 1 294.439 3.188 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)CC[C@H](C)c1ccccc1 ZINC000756544883 626713856 /nfs/dbraw/zinc/71/38/56/626713856.db2.gz SERNVMYNOGTESJ-WMZOPIPTSA-N 1 1 299.414 3.211 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000839660869 626771703 /nfs/dbraw/zinc/77/17/03/626771703.db2.gz YSMGURCBNLFCJD-AWEZNQCLSA-N 1 1 264.417 3.263 20 30 CGEDMO CCCCCCCC[N@@H+]1CC[C@H](c2nc(C)n[nH]2)C1 ZINC000839660869 626771706 /nfs/dbraw/zinc/77/17/06/626771706.db2.gz YSMGURCBNLFCJD-AWEZNQCLSA-N 1 1 264.417 3.263 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@H](c2nc(C)n[nH]2)C1 ZINC000839660869 626771708 /nfs/dbraw/zinc/77/17/08/626771708.db2.gz YSMGURCBNLFCJD-AWEZNQCLSA-N 1 1 264.417 3.263 20 30 CGEDMO CCCCCCCC[N@@H+]1CC[C@H](c2n[nH]c(C)n2)C1 ZINC000839660869 626771711 /nfs/dbraw/zinc/77/17/11/626771711.db2.gz YSMGURCBNLFCJD-AWEZNQCLSA-N 1 1 264.417 3.263 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@H](c2n[nH]c(C)n2)C1 ZINC000839660869 626771715 /nfs/dbraw/zinc/77/17/15/626771715.db2.gz YSMGURCBNLFCJD-AWEZNQCLSA-N 1 1 264.417 3.263 20 30 CGEDMO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)Cc2ccccc21 ZINC000763475333 627159791 /nfs/dbraw/zinc/15/97/91/627159791.db2.gz HFIMZYXLGJDNEN-AUUYWEPGSA-N 1 1 292.382 3.211 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OCC(F)(F)F)cc1)C1CC1 ZINC000763948635 627186680 /nfs/dbraw/zinc/18/66/80/627186680.db2.gz CVGDKFMVFPUNNC-UHFFFAOYSA-N 1 1 283.293 3.225 20 30 CGEDMO C#CC[N@@H+](Cc1cc(Br)cs1)C1CC1 ZINC000763958286 627187761 /nfs/dbraw/zinc/18/77/61/627187761.db2.gz UQGARQLIYWMRCV-UHFFFAOYSA-N 1 1 270.195 3.108 20 30 CGEDMO C#CC[N@H+](Cc1cc(Br)cs1)C1CC1 ZINC000763958286 627187763 /nfs/dbraw/zinc/18/77/63/627187763.db2.gz UQGARQLIYWMRCV-UHFFFAOYSA-N 1 1 270.195 3.108 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1N1CCCCC1)C1CC1 ZINC000764677801 627217778 /nfs/dbraw/zinc/21/77/78/627217778.db2.gz UAWPBEPNZKQMSR-UHFFFAOYSA-N 1 1 268.404 3.275 20 30 CGEDMO c1ccc2c(c1)cccc2N=NC1CC[N@H+]2CCC[C@@H]12 ZINC000765571883 627259822 /nfs/dbraw/zinc/25/98/22/627259822.db2.gz LYLKXGCILSYGKQ-KRWDZBQOSA-N 1 1 265.360 3.476 20 30 CGEDMO C#CCOc1ccc([C@H](C)NCC[N@@H+](C)CCCC)cc1 ZINC000765943035 627280164 /nfs/dbraw/zinc/28/01/64/627280164.db2.gz ATYPTROHNFJGKT-INIZCTEOSA-N 1 1 288.435 3.081 20 30 CGEDMO C#CCOc1ccc([C@H](C)NCC[N@H+](C)CCCC)cc1 ZINC000765943035 627280165 /nfs/dbraw/zinc/28/01/65/627280165.db2.gz ATYPTROHNFJGKT-INIZCTEOSA-N 1 1 288.435 3.081 20 30 CGEDMO C[C@H]1CC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C[C@H]1C ZINC000766376310 627324376 /nfs/dbraw/zinc/32/43/76/627324376.db2.gz YQZMPCQVTCGXFX-LSDHHAIUSA-N 1 1 294.402 3.357 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@@H]1Cc1cccc(OC)c1 ZINC000766896289 627368627 /nfs/dbraw/zinc/36/86/27/627368627.db2.gz YTSGCYWVOMSTEA-MRXNPFEDSA-N 1 1 257.377 3.116 20 30 CGEDMO C#CCOc1ccc(C[N@H+](C)Cc2ccc(OC)cc2)cc1 ZINC000768159225 627464600 /nfs/dbraw/zinc/46/46/00/627464600.db2.gz FJVOGWRIXVAXAR-UHFFFAOYSA-N 1 1 295.382 3.339 20 30 CGEDMO C[C@H](CC#N)[N@H+](C)Cc1cc2c(cc1O)CCCC2 ZINC000768452851 627480465 /nfs/dbraw/zinc/48/04/65/627480465.db2.gz UIJJORSGRVUQEN-GFCCVEGCSA-N 1 1 258.365 3.005 20 30 CGEDMO C[C@H](CC#N)[N@@H+](C)Cc1cc2c(cc1O)CCCC2 ZINC000768452851 627480468 /nfs/dbraw/zinc/48/04/68/627480468.db2.gz UIJJORSGRVUQEN-GFCCVEGCSA-N 1 1 258.365 3.005 20 30 CGEDMO C#CCCOc1ccc(C[N@H+](C[C@@H](C)OC)C(C)C)cc1 ZINC000769471753 627556997 /nfs/dbraw/zinc/55/69/97/627556997.db2.gz CXUZOCIISLWTHG-MRXNPFEDSA-N 1 1 289.419 3.334 20 30 CGEDMO C#CC[N@@H+](Cc1cc(F)c(F)cc1F)C1CCCC1 ZINC000769529833 627562804 /nfs/dbraw/zinc/56/28/04/627562804.db2.gz FPCWNVYDWGEMCN-UHFFFAOYSA-N 1 1 267.294 3.482 20 30 CGEDMO C#CC[N@H+](Cc1cc(F)c(F)cc1F)C1CCCC1 ZINC000769529833 627562807 /nfs/dbraw/zinc/56/28/07/627562807.db2.gz FPCWNVYDWGEMCN-UHFFFAOYSA-N 1 1 267.294 3.482 20 30 CGEDMO CCSc1cccc(C=NNc2cc[nH+]cc2)c1 ZINC000769799367 627578689 /nfs/dbraw/zinc/57/86/89/627578689.db2.gz UUTPSHNTGOYRAZ-UHFFFAOYSA-N 1 1 257.362 3.062 20 30 CGEDMO C#CCOc1ccc(C[N@H+](C)[C@@H](C)C2(C)CC2)cc1 ZINC000770289398 627611553 /nfs/dbraw/zinc/61/15/53/627611553.db2.gz SETSMXJARMWWIO-AWEZNQCLSA-N 1 1 257.377 3.319 20 30 CGEDMO CCC(CC)C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000770388957 627616983 /nfs/dbraw/zinc/61/69/83/627616983.db2.gz BZRCCYMHEGJBEO-KRWDZBQOSA-N 1 1 272.392 3.368 20 30 CGEDMO CC(C)C[N@H+](CCC#N)C[C@H](O)c1ccc(Cl)cc1 ZINC000771573436 627720350 /nfs/dbraw/zinc/72/03/50/627720350.db2.gz XEFXADGLVZAKIS-HNNXBMFYSA-N 1 1 280.799 3.245 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)C[C@H](O)c1ccc(Cl)cc1 ZINC000771573436 627720351 /nfs/dbraw/zinc/72/03/51/627720351.db2.gz XEFXADGLVZAKIS-HNNXBMFYSA-N 1 1 280.799 3.245 20 30 CGEDMO C[C@@H](CC#N)NN=C1CCCC[C@@H]1[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000771886947 627740489 /nfs/dbraw/zinc/74/04/89/627740489.db2.gz AUUZVFAZFXTILN-IVSAIRAKSA-N 1 1 290.455 3.155 20 30 CGEDMO CC[N@H+](Cc1c(C#N)c(C)nn1-c1ccccc1)C(C)C ZINC000773422068 627882734 /nfs/dbraw/zinc/88/27/34/627882734.db2.gz RAURARVPHGEVBJ-UHFFFAOYSA-N 1 1 282.391 3.283 20 30 CGEDMO CC[N@@H+](Cc1c(C#N)c(C)nn1-c1ccccc1)C(C)C ZINC000773422068 627882735 /nfs/dbraw/zinc/88/27/35/627882735.db2.gz RAURARVPHGEVBJ-UHFFFAOYSA-N 1 1 282.391 3.283 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000773430299 627883433 /nfs/dbraw/zinc/88/34/33/627883433.db2.gz XMEHKZRCNYXCCB-CQSZACIVSA-N 1 1 282.428 3.284 20 30 CGEDMO C=C(CC)C[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000773474610 627888567 /nfs/dbraw/zinc/88/85/67/627888567.db2.gz USCLQIAHIGEOIO-ZIAGYGMSSA-N 1 1 282.428 3.188 20 30 CGEDMO CC(C)C[N@H+](CCC#N)C[C@H](O)c1ccc(F)cc1Cl ZINC000774581680 628006854 /nfs/dbraw/zinc/00/68/54/628006854.db2.gz YGVWWLCIDZYSDR-HNNXBMFYSA-N 1 1 298.789 3.384 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)C[C@H](O)c1ccc(F)cc1Cl ZINC000774581680 628006857 /nfs/dbraw/zinc/00/68/57/628006857.db2.gz YGVWWLCIDZYSDR-HNNXBMFYSA-N 1 1 298.789 3.384 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccccc1N1CCCCC1 ZINC000775179811 628070146 /nfs/dbraw/zinc/07/01/46/628070146.db2.gz RROXTLTWQSPIJB-HNNXBMFYSA-N 1 1 256.393 3.130 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1cn(-c2ccc(Cl)cc2)nc1C ZINC000775183550 628070426 /nfs/dbraw/zinc/07/04/26/628070426.db2.gz OMBUQLKXWQNZBX-GFCCVEGCSA-N 1 1 287.794 3.288 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cn(-c2ccc(Cl)cc2)nc1C ZINC000775183550 628070433 /nfs/dbraw/zinc/07/04/33/628070433.db2.gz OMBUQLKXWQNZBX-GFCCVEGCSA-N 1 1 287.794 3.288 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1ccc(-c2ccccc2)o1)[C@@H]1CCCO1 ZINC000775342377 628084654 /nfs/dbraw/zinc/08/46/54/628084654.db2.gz QSCGJKFJHFOCEJ-AEFFLSMTSA-N 1 1 281.355 3.217 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1cc(Cl)ccc1Cl)[C@H]1CCCO1 ZINC000775343714 628084773 /nfs/dbraw/zinc/08/47/73/628084773.db2.gz XJGDMQWHTSOZPK-ZIAGYGMSSA-N 1 1 284.186 3.264 20 30 CGEDMO C#CC[C@@H]([NH2+]Cc1c(C)noc1C)c1ccccc1 ZINC000775398949 628090837 /nfs/dbraw/zinc/09/08/37/628090837.db2.gz OYVGPNUGDLYCCC-MRXNPFEDSA-N 1 1 254.333 3.146 20 30 CGEDMO C#CCC[N@@H+]1CCc2cc(Br)cc(C)c2C1 ZINC000775560950 628106606 /nfs/dbraw/zinc/10/66/06/628106606.db2.gz HZCWTLOPQKSVIV-UHFFFAOYSA-N 1 1 278.193 3.139 20 30 CGEDMO C#CCC[N@H+]1CCc2cc(Br)cc(C)c2C1 ZINC000775560950 628106609 /nfs/dbraw/zinc/10/66/09/628106609.db2.gz HZCWTLOPQKSVIV-UHFFFAOYSA-N 1 1 278.193 3.139 20 30 CGEDMO C#CC[N@H+](C[C@H](O)c1ccc(F)cc1Cl)C1CCCC1 ZINC000775612261 628114428 /nfs/dbraw/zinc/11/44/28/628114428.db2.gz CKXANRWITCTGGG-INIZCTEOSA-N 1 1 295.785 3.390 20 30 CGEDMO C[C@H](C(=O)O[C@@H](C#N)C1CCCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000776388178 628203022 /nfs/dbraw/zinc/20/30/22/628203022.db2.gz XKBZNCBLZMWZQV-CTASWTNQSA-N 1 1 292.423 3.263 20 30 CGEDMO C[C@H](C(=O)O[C@@H](C#N)C1CCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000776388178 628203025 /nfs/dbraw/zinc/20/30/25/628203025.db2.gz XKBZNCBLZMWZQV-CTASWTNQSA-N 1 1 292.423 3.263 20 30 CGEDMO C[C@H](C(=O)O[C@H](C#N)C1CCCCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000776388180 628203149 /nfs/dbraw/zinc/20/31/49/628203149.db2.gz XKBZNCBLZMWZQV-HLPPOEQASA-N 1 1 292.423 3.263 20 30 CGEDMO C[C@H](C(=O)O[C@H](C#N)C1CCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000776388180 628203151 /nfs/dbraw/zinc/20/31/51/628203151.db2.gz XKBZNCBLZMWZQV-HLPPOEQASA-N 1 1 292.423 3.263 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@H+]2CC[C@H](C)[C@@H](F)C2)c1O ZINC000777964719 628316250 /nfs/dbraw/zinc/31/62/50/628316250.db2.gz RXFVFUOSBFSVND-LRDDRELGSA-N 1 1 293.382 3.309 20 30 CGEDMO C=CCc1cc(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)c(O)c(OC)c1 ZINC000777966334 628317042 /nfs/dbraw/zinc/31/70/42/628317042.db2.gz GGXAAYAFAIRJAP-DOMZBBRYSA-N 1 1 293.382 3.309 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+](C)Cc1ccc(O)cc1 ZINC000779436180 628413376 /nfs/dbraw/zinc/41/33/76/628413376.db2.gz DGWBNHHWXZWGMQ-UHFFFAOYSA-N 1 1 281.355 3.036 20 30 CGEDMO Cc1cc(C)c2c(c1)C(=NNc1cc[nH+]cc1)CCCO2 ZINC000779808812 628433513 /nfs/dbraw/zinc/43/35/13/628433513.db2.gz HUOHOHIRKMBAIN-UHFFFAOYSA-N 1 1 281.359 3.109 20 30 CGEDMO N#CCC1CC[NH+](Cc2c(Cl)nc3ccccn32)CC1 ZINC000781927259 628605817 /nfs/dbraw/zinc/60/58/17/628605817.db2.gz LKVFCWHIABSXGU-UHFFFAOYSA-N 1 1 288.782 3.113 20 30 CGEDMO COc1ccc(N=NC2C[N@H+](C(C)C)C[C@@H]2C)cc1Cl ZINC000782231104 628627845 /nfs/dbraw/zinc/62/78/45/628627845.db2.gz RLPUMYOMQYZUQQ-NSHDSACASA-N 1 1 295.814 3.477 20 30 CGEDMO Cc1ccncc1[C@@H](C)[NH2+]Cc1ccc(F)cc1C#N ZINC000783002038 628671841 /nfs/dbraw/zinc/67/18/41/628671841.db2.gz OYFQXPLNDUKEFB-GFCCVEGCSA-N 1 1 269.323 3.252 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805794271 628907567 /nfs/dbraw/zinc/90/75/67/628907567.db2.gz SUZWUOFBTVBYCK-KRWDZBQOSA-N 1 1 294.439 3.286 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000786435110 628932935 /nfs/dbraw/zinc/93/29/35/628932935.db2.gz CIEMCKMVGHGVKY-MRXNPFEDSA-N 1 1 299.418 3.138 20 30 CGEDMO C#CC[C@@H]([NH2+]Cc1ccc(F)cn1)c1ccccc1 ZINC000787280019 629007391 /nfs/dbraw/zinc/00/73/91/629007391.db2.gz PHZGBOVUSGQXSP-MRXNPFEDSA-N 1 1 254.308 3.075 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)CCC(=O)N2C ZINC000787309472 629008008 /nfs/dbraw/zinc/00/80/08/629008008.db2.gz JBJPGRGMAIOMOJ-INIZCTEOSA-N 1 1 284.403 3.136 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1ccc(-n2nc(C)cc2C)cc1 ZINC000787996907 629038509 /nfs/dbraw/zinc/03/85/09/629038509.db2.gz BSDBSXKLYFTUEO-UHFFFAOYSA-N 1 1 281.403 3.333 20 30 CGEDMO C#CC(C)(C)[N@H+](C)CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000787998870 629039418 /nfs/dbraw/zinc/03/94/18/629039418.db2.gz KOAXEDOVYQADSK-UHFFFAOYSA-N 1 1 286.419 3.266 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000787998870 629039422 /nfs/dbraw/zinc/03/94/22/629039422.db2.gz KOAXEDOVYQADSK-UHFFFAOYSA-N 1 1 286.419 3.266 20 30 CGEDMO CCN(C)c1ccc(C=[NH+]Nc2ccc(F)cc2C)cn1 ZINC000790172238 629188643 /nfs/dbraw/zinc/18/86/43/629188643.db2.gz MVGCNKWSOFHIPD-UHFFFAOYSA-N 1 1 286.354 3.431 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000790357395 629208068 /nfs/dbraw/zinc/20/80/68/629208068.db2.gz PBDGGXLAMXCIAB-ROUUACIJSA-N 1 1 298.430 3.218 20 30 CGEDMO CCCCCCCCO[NH+]=C(N)C1CCOCC1 ZINC000790505826 629214453 /nfs/dbraw/zinc/21/44/53/629214453.db2.gz HZCNRLHJYPGRRB-UHFFFAOYSA-N 1 1 256.390 3.272 20 30 CGEDMO CCCCCCCC[N@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000791589891 629290881 /nfs/dbraw/zinc/29/08/81/629290881.db2.gz JKEHZHRXMCVYSG-JKSUJKDBSA-N 1 1 269.429 3.227 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@@]1(Cc1ccccc1)C(=O)OCC ZINC000792337043 629357476 /nfs/dbraw/zinc/35/74/76/629357476.db2.gz WSLVXLASFCOHBF-LJQANCHMSA-N 1 1 299.414 3.040 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2c(Cl)nc(Cl)n2C)C1 ZINC000862439795 629373658 /nfs/dbraw/zinc/37/36/58/629373658.db2.gz BOHVXUQQEKECSA-SECBINFHSA-N 1 1 274.195 3.125 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2c(Cl)nc(Cl)n2C)C1 ZINC000862439795 629373662 /nfs/dbraw/zinc/37/36/62/629373662.db2.gz BOHVXUQQEKECSA-SECBINFHSA-N 1 1 274.195 3.125 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc3cccc(OC)c3o2)C1 ZINC000862443268 629377270 /nfs/dbraw/zinc/37/72/70/629377270.db2.gz NHRWIWIRLQOKPH-CYBMUJFWSA-N 1 1 269.344 3.287 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cc(F)ccc2Br)C1 ZINC000862444921 629378699 /nfs/dbraw/zinc/37/86/99/629378699.db2.gz IXXYVYPGUJABGF-NSHDSACASA-N 1 1 296.183 3.433 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000862445552 629379111 /nfs/dbraw/zinc/37/91/11/629379111.db2.gz WWODIJMNRBXATC-CYBMUJFWSA-N 1 1 297.320 3.473 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2ccc3cnccc3c2)C1 ZINC000862446790 629379477 /nfs/dbraw/zinc/37/94/77/629379477.db2.gz DXESIRBKLCZBCD-CQSZACIVSA-N 1 1 250.345 3.080 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc3cc(OC)ccc3o2)C1 ZINC000862445608 629380024 /nfs/dbraw/zinc/38/00/24/629380024.db2.gz XYQVGYQQOPSOOC-CYBMUJFWSA-N 1 1 269.344 3.287 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cc(OCC)c(OC)cc2F)C1 ZINC000862447993 629380517 /nfs/dbraw/zinc/38/05/17/629380517.db2.gz UNYXAYUQEXGESV-ZDUSSCGKSA-N 1 1 291.366 3.078 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cc3ccc(C)cc3[nH]2)C1 ZINC000862448548 629380530 /nfs/dbraw/zinc/38/05/30/629380530.db2.gz ZUPOWSMWPABDSU-AWEZNQCLSA-N 1 1 252.361 3.322 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000862448414 629380798 /nfs/dbraw/zinc/38/07/98/629380798.db2.gz YGCYITFVNMRUHO-HNNXBMFYSA-N 1 1 264.372 3.087 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cccc(F)c2OC(F)F)C1 ZINC000862447915 629381342 /nfs/dbraw/zinc/38/13/42/629381342.db2.gz SGJYTXNEOAUPKF-LLVKDONJSA-N 1 1 283.293 3.272 20 30 CGEDMO C#CC[C@H](CCOC)[NH2+][C@@H](CCc1ccccc1)C(F)F ZINC000862547302 629398289 /nfs/dbraw/zinc/39/82/89/629398289.db2.gz AIFWPPXPQMUKRW-CVEARBPZSA-N 1 1 295.373 3.271 20 30 CGEDMO C=CCn1c(C)nn(C[N@@H+]2CCCC3(CC3)CC2)c1=S ZINC000863330887 629537364 /nfs/dbraw/zinc/53/73/64/629537364.db2.gz SVUKAIVLPKBQBJ-UHFFFAOYSA-N 1 1 292.452 3.132 20 30 CGEDMO C=CCn1c(C)nn(C[N@H+]2CCCC3(CC3)CC2)c1=S ZINC000863330887 629537369 /nfs/dbraw/zinc/53/73/69/629537369.db2.gz SVUKAIVLPKBQBJ-UHFFFAOYSA-N 1 1 292.452 3.132 20 30 CGEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CC(N)=NOCCCC(C)(C)C#N ZINC000794532170 629551276 /nfs/dbraw/zinc/55/12/76/629551276.db2.gz UEXZTZPMUQSSRB-OKILXGFUSA-N 1 1 294.443 3.078 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000794832127 629584338 /nfs/dbraw/zinc/58/43/38/629584338.db2.gz KBUCZNATOYUNRM-MRXNPFEDSA-N 1 1 287.407 3.377 20 30 CGEDMO N#Cc1ccc(CO[NH+]=C(N)CCC(F)(F)F)c(F)c1 ZINC000863489640 629590111 /nfs/dbraw/zinc/59/01/11/629590111.db2.gz MMFVVFSGYBEANC-UHFFFAOYSA-N 1 1 289.232 3.038 20 30 CGEDMO Cn1c[nH+]c2cc(NCc3cccc(F)c3C#N)ccc21 ZINC000864016375 629727726 /nfs/dbraw/zinc/72/77/26/629727726.db2.gz QPQYEZCEADPNAO-UHFFFAOYSA-N 1 1 280.306 3.196 20 30 CGEDMO CCc1ccc([C@@H]2CCC[N@@H+](CCO[C@@H](C)C#N)C2)cc1 ZINC000796585193 629803269 /nfs/dbraw/zinc/80/32/69/629803269.db2.gz RDLBSBCVUQDMLB-MAUKXSAKSA-N 1 1 286.419 3.357 20 30 CGEDMO COc1ccc(O)c(/C=N/C[C@H]2c3ccccc3C[N@H+]2C)c1 ZINC000864348387 629817380 /nfs/dbraw/zinc/81/73/80/629817380.db2.gz KOQYFMTZLMGGQH-AEUYPJEVSA-N 1 1 296.370 3.006 20 30 CGEDMO COc1ccc(O)c(/C=N/C[C@H]2c3ccccc3C[N@@H+]2C)c1 ZINC000864348387 629817384 /nfs/dbraw/zinc/81/73/84/629817384.db2.gz KOQYFMTZLMGGQH-AEUYPJEVSA-N 1 1 296.370 3.006 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccccc2N2CCCCC2)CC1 ZINC000797604612 629970474 /nfs/dbraw/zinc/97/04/74/629970474.db2.gz AENBHMOTIUVIAR-UHFFFAOYSA-N 1 1 269.392 3.070 20 30 CGEDMO CCCC(=NNCCC[NH+]1CCOCC1)C1CCCCC1 ZINC000799486784 630189402 /nfs/dbraw/zinc/18/94/02/630189402.db2.gz ONXSJKPUEVEEDH-UHFFFAOYSA-N 1 1 295.471 3.035 20 30 CGEDMO COc1cc(C[N@H+]2CCc3c(C)cccc3C2)ccc1C#N ZINC000799732989 630228211 /nfs/dbraw/zinc/22/82/11/630228211.db2.gz YEVSHRPLTIWTKQ-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO C#CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CCCC1 ZINC000801521712 630340554 /nfs/dbraw/zinc/34/05/54/630340554.db2.gz UHPCSTPYPWGEHC-UHFFFAOYSA-N 1 1 276.311 3.112 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000801910553 630364414 /nfs/dbraw/zinc/36/44/14/630364414.db2.gz UGYFXAWJEHTZGL-XJKCOSOUSA-N 1 1 288.391 3.296 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000801924499 630368079 /nfs/dbraw/zinc/36/80/79/630368079.db2.gz PUXIAZHTXUYSIL-ZENOOKHLSA-N 1 1 276.355 3.137 20 30 CGEDMO Cc1ccc(C)c([C@@H]2CCC[N@@H+]2CCO[C@@H](C)C#N)c1 ZINC000801928404 630368680 /nfs/dbraw/zinc/36/86/80/630368680.db2.gz AHMZXYKGSWAKCC-RDJZCZTQSA-N 1 1 272.392 3.369 20 30 CGEDMO CC(C)CC[C@@H]1CCCC[N@H+]1CCO[C@H](C)C#N ZINC000801935415 630370189 /nfs/dbraw/zinc/37/01/89/630370189.db2.gz ZZTHWGLHGUFRGI-CABCVRRESA-N 1 1 252.402 3.206 20 30 CGEDMO Cc1ccc([C@@H]2C[C@H](C)[N@@H+](CCO[C@H](C)C#N)C2)cc1 ZINC000801952544 630372964 /nfs/dbraw/zinc/37/29/64/630372964.db2.gz ZWSSYRULZUZMFA-ZMSDIMECSA-N 1 1 272.392 3.102 20 30 CGEDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)Nc1nc(Cl)c(C#N)s1 ZINC000804372582 630523541 /nfs/dbraw/zinc/52/35/41/630523541.db2.gz OXSAQMJODUGYQN-VHSXEESVSA-N 1 1 298.843 3.200 20 30 CGEDMO N#CCC1(C[N@@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)CC1 ZINC000878222858 635420303 /nfs/dbraw/zinc/42/03/03/635420303.db2.gz JHFGACVLGPOGBK-IAGOWNOFSA-N 1 1 284.403 3.268 20 30 CGEDMO C#Cc1ccc(C[NH2+]Cc2nc(C)c3ccccc3n2)cc1 ZINC000809611879 630762165 /nfs/dbraw/zinc/76/21/65/630762165.db2.gz AQGVKBSDGRNSBB-UHFFFAOYSA-N 1 1 287.366 3.209 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)CC2(O)CCCCCC2)cc1 ZINC000809645830 630772712 /nfs/dbraw/zinc/77/27/12/630772712.db2.gz KFAQUYTTZMUMLU-UHFFFAOYSA-N 1 1 271.404 3.185 20 30 CGEDMO C=CC[N@@H+](C)CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000809644256 630773440 /nfs/dbraw/zinc/77/34/40/630773440.db2.gz GFIYONCTERYFEV-UHFFFAOYSA-N 1 1 270.417 3.140 20 30 CGEDMO C#C[C@H](NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)C(C)C ZINC000809685469 630781077 /nfs/dbraw/zinc/78/10/77/630781077.db2.gz VLJNVKAYFRZMNY-RYQLBKOJSA-N 1 1 276.468 3.277 20 30 CGEDMO C#C[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C(C)(C)C ZINC000809781546 630806328 /nfs/dbraw/zinc/80/63/28/630806328.db2.gz VUEQIJRFXLOXFV-LBPRGKRZSA-N 1 1 269.747 3.322 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000810048239 630833745 /nfs/dbraw/zinc/83/37/45/630833745.db2.gz ZGCLSLBPEOGLJR-MAUKXSAKSA-N 1 1 269.388 3.258 20 30 CGEDMO C=CCCCCC[C@H](C)[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000810253203 630859835 /nfs/dbraw/zinc/85/98/35/630859835.db2.gz OBDQTBKHCFVTKH-UONOGXRCSA-N 1 1 261.413 3.382 20 30 CGEDMO C=C[C@H](CC(=O)O[C@H](C)Cn1cc[nH+]c1C)c1ccccc1 ZINC000810617623 630907372 /nfs/dbraw/zinc/90/73/72/630907372.db2.gz CIZAFSVHSZPWIU-GDBMZVCRSA-N 1 1 298.386 3.483 20 30 CGEDMO C=C[C@](C)(CC)COC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810709212 630931659 /nfs/dbraw/zinc/93/16/59/630931659.db2.gz UGVDFYNHUSHEDW-HZPDHXFCSA-N 1 1 285.403 3.344 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)cc1 ZINC000811510736 631078504 /nfs/dbraw/zinc/07/85/04/631078504.db2.gz NVSVMSQUEMERPA-QZTJIDSGSA-N 1 1 299.414 3.088 20 30 CGEDMO C#CCCCCC[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000878631389 635581107 /nfs/dbraw/zinc/58/11/07/635581107.db2.gz FYMANSFRLRYCAP-HOTGVXAUSA-N 1 1 261.409 3.214 20 30 CGEDMO C#C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000811516378 631082391 /nfs/dbraw/zinc/08/23/91/631082391.db2.gz NBXCHQBHHXFOEC-ZACQAIPSSA-N 1 1 288.822 3.231 20 30 CGEDMO Cc1ccnc(N=NC2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000811643476 631095443 /nfs/dbraw/zinc/09/54/43/631095443.db2.gz DMPYLSVAHVOVOW-HNNXBMFYSA-N 1 1 294.402 3.452 20 30 CGEDMO Cl/C=C\CON=C1CC[N@H+](Cc2ccccc2)C1 ZINC000811670004 631108454 /nfs/dbraw/zinc/10/84/54/631108454.db2.gz MCLGXNQMTDZFPZ-GPMMGYHASA-N 1 1 264.756 3.017 20 30 CGEDMO Cl/C=C\CON=C1CC[N@@H+](Cc2ccccc2)C1 ZINC000811670004 631108458 /nfs/dbraw/zinc/10/84/58/631108458.db2.gz MCLGXNQMTDZFPZ-GPMMGYHASA-N 1 1 264.756 3.017 20 30 CGEDMO C=CCCCCCCCNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000811892495 631131013 /nfs/dbraw/zinc/13/10/13/631131013.db2.gz UUTGYUJMRWZUPI-OAHLLOKOSA-N 1 1 293.455 3.049 20 30 CGEDMO C=CCC(CC=C)C(=O)OCC[C@H]1CCCC[N@@H+]1C ZINC000840288705 631416428 /nfs/dbraw/zinc/41/64/28/631416428.db2.gz FKXJRNKETPLHRV-OAHLLOKOSA-N 1 1 265.397 3.172 20 30 CGEDMO C[C@H]1C(N=NCC(F)(F)F)CCC[N@H+]1Cc1ccccc1 ZINC000814904707 631673709 /nfs/dbraw/zinc/67/37/09/631673709.db2.gz VMXOXACXCSOLAK-LBPRGKRZSA-N 1 1 299.340 3.179 20 30 CGEDMO CC(C)[N@@H+](CCOCCC#N)[C@@H](C)c1ccccc1 ZINC000815120846 631721618 /nfs/dbraw/zinc/72/16/18/631721618.db2.gz NCILSEAKLHCSTF-HNNXBMFYSA-N 1 1 260.381 3.388 20 30 CGEDMO C#CCOc1ccc([C@@H](C)NC[C@H]([NH3+])c2ccccc2)cc1 ZINC000817955583 632250545 /nfs/dbraw/zinc/25/05/45/632250545.db2.gz ZLXBYIISTFNQTH-BEFAXECRSA-N 1 1 294.398 3.049 20 30 CGEDMO C[N@H+](CCc1cccc(C#N)c1)Cc1nc2c(o1)CCCC2 ZINC000879433178 635787365 /nfs/dbraw/zinc/78/73/65/635787365.db2.gz VMFUPYFKHVCHHV-UHFFFAOYSA-N 1 1 295.386 3.100 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1nc2c(o1)CCCC2 ZINC000879433178 635787369 /nfs/dbraw/zinc/78/73/69/635787369.db2.gz VMFUPYFKHVCHHV-UHFFFAOYSA-N 1 1 295.386 3.100 20 30 CGEDMO CCCCCCCCCC(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000818586421 632338466 /nfs/dbraw/zinc/33/84/66/632338466.db2.gz XGXXPCOWIPKYNL-ZDUSSCGKSA-N 1 1 290.398 3.193 20 30 CGEDMO C#CC[N@H+](C)CCCNC(=O)[C@@H](CCC)CC1CCCC1 ZINC000818592824 632338600 /nfs/dbraw/zinc/33/86/00/632338600.db2.gz ASLQASNIRPDWSL-KRWDZBQOSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)Cc1ccc2nonc2c1 ZINC000821363324 632757313 /nfs/dbraw/zinc/75/73/13/632757313.db2.gz UXVSTANQWBJQJL-UHFFFAOYSA-N 1 1 293.370 3.454 20 30 CGEDMO C=C(Br)C[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000105453729 635832399 /nfs/dbraw/zinc/83/23/99/635832399.db2.gz USWUGLFELVSMAG-KCJUWKMLSA-N 1 1 270.170 3.401 20 30 CGEDMO CCCCCCCC[C@H](C)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000823027299 633051539 /nfs/dbraw/zinc/05/15/39/633051539.db2.gz HGESYLQHLJFBIG-JKSUJKDBSA-N 1 1 282.472 3.441 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)c1ccccc1F ZINC000823617175 633127154 /nfs/dbraw/zinc/12/71/54/633127154.db2.gz GJRYDYCBKIQYSW-SCLBCKFNSA-N 1 1 298.361 3.424 20 30 CGEDMO CC(C)[C@@H]1CCC[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000876579701 634861603 /nfs/dbraw/zinc/86/16/03/634861603.db2.gz XQNGMMCZPCMHRX-ZDUSSCGKSA-N 1 1 263.772 3.227 20 30 CGEDMO CC[N@H+](Cc1cc(C#N)cnc1Cl)CC(C)C ZINC000876580957 634862270 /nfs/dbraw/zinc/86/22/70/634862270.db2.gz VOACNSNUHSQOEL-UHFFFAOYSA-N 1 1 251.761 3.085 20 30 CGEDMO C=C(C)CN(C)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000869102025 633403464 /nfs/dbraw/zinc/40/34/64/633403464.db2.gz TVECDYPUHYAFNK-INIZCTEOSA-N 1 1 293.455 3.001 20 30 CGEDMO CCc1cccc(C[N@H+]2CCC[C@@H](CC#N)C2)c1O ZINC000826861266 633438022 /nfs/dbraw/zinc/43/80/22/633438022.db2.gz CYZAOZILPBFHAS-ZDUSSCGKSA-N 1 1 258.365 3.080 20 30 CGEDMO C=CCOCCCC(=O)OCc1c(C)cc(C)[nH+]c1C ZINC000869422089 633441378 /nfs/dbraw/zinc/44/13/78/633441378.db2.gz ZOMYPWXSIFCNSA-UHFFFAOYSA-N 1 1 277.364 3.033 20 30 CGEDMO Cc1cc(C)c(COC(=O)CCCCC#N)c(C)[nH+]1 ZINC000869548939 633467287 /nfs/dbraw/zinc/46/72/87/633467287.db2.gz GKZSAVPMGVHWRM-UHFFFAOYSA-N 1 1 260.337 3.134 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1C[C@H]1CN(C2CCCCC2)C(=O)O1 ZINC000828440348 633614440 /nfs/dbraw/zinc/61/44/40/633614440.db2.gz PGMDBOPHUWADLQ-ZBFHGGJFSA-N 1 1 292.423 3.180 20 30 CGEDMO C=C[C@](C)(CCOC)C(=O)O[C@@H](C)C[C@@H]1CCCC[N@H+]1C ZINC000870786407 633646182 /nfs/dbraw/zinc/64/61/82/633646182.db2.gz WHVXNDBMSDMYSN-YQQAZPJKSA-N 1 1 297.439 3.021 20 30 CGEDMO CCC(C#N)(CC)C(=O)O[C@@H](C)C[C@@H]1CCCC[N@H+]1C ZINC000870787208 633646317 /nfs/dbraw/zinc/64/63/17/633646317.db2.gz UZAPPZFQZWJIRG-KBPBESRZSA-N 1 1 280.412 3.122 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC000870907013 633668793 /nfs/dbraw/zinc/66/87/93/633668793.db2.gz OROXNPPCMFWKOX-KRWDZBQOSA-N 1 1 286.419 3.042 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2nc(-c3ccsc3)no2)C1 ZINC000829769285 633778457 /nfs/dbraw/zinc/77/84/57/633778457.db2.gz RVNQQEDBLKLUNB-LBPRGKRZSA-N 1 1 287.388 3.033 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000829768724 633779322 /nfs/dbraw/zinc/77/93/22/633779322.db2.gz JIAPMTPDIZPCNA-GFCCVEGCSA-N 1 1 287.388 3.033 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000829768724 633779325 /nfs/dbraw/zinc/77/93/25/633779325.db2.gz JIAPMTPDIZPCNA-GFCCVEGCSA-N 1 1 287.388 3.033 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccccc2OCC)C1 ZINC000829774544 633780146 /nfs/dbraw/zinc/78/01/46/633780146.db2.gz PVQWCTNSVLTGFQ-OAHLLOKOSA-N 1 1 257.377 3.321 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000829775129 633780896 /nfs/dbraw/zinc/78/08/96/633780896.db2.gz XWVZFRSZQSVRKX-ZIAGYGMSSA-N 1 1 272.348 3.391 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000829785034 633784090 /nfs/dbraw/zinc/78/40/90/633784090.db2.gz PTPDMLHLPZDTDU-KRWDZBQOSA-N 1 1 293.414 3.167 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](CCCOCc2ccccc2)C1 ZINC000829809809 633792435 /nfs/dbraw/zinc/79/24/35/633792435.db2.gz IDAHKJBKZDZVQU-KRWDZBQOSA-N 1 1 271.404 3.329 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000829815286 633795575 /nfs/dbraw/zinc/79/55/75/633795575.db2.gz JAFFVZLROYYMLG-OAHLLOKOSA-N 1 1 264.372 3.470 20 30 CGEDMO Cc1cc(C)c(CON=Cc2ccc([N+](=O)[O-])o2)c(C)[nH+]1 ZINC000871722286 633842372 /nfs/dbraw/zinc/84/23/72/633842372.db2.gz ABGKGSBTNOIVGA-UHFFFAOYSA-N 1 1 289.291 3.059 20 30 CGEDMO C#CCC[N@H+](CCCC)[C@@H]1CCc2ncsc2C1 ZINC000830816767 633890607 /nfs/dbraw/zinc/89/06/07/633890607.db2.gz KMNAFVVWTISLGL-CYBMUJFWSA-N 1 1 262.422 3.126 20 30 CGEDMO CS[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000830879014 633893784 /nfs/dbraw/zinc/89/37/84/633893784.db2.gz XPKURFUXYZPBOK-CYBMUJFWSA-N 1 1 296.823 3.180 20 30 CGEDMO C#CC[N@@H+](Cc1cc2ccccc2c(Cl)n1)C1CC1 ZINC000830939785 633900127 /nfs/dbraw/zinc/90/01/27/633900127.db2.gz CVAFSSOOJDFNJM-UHFFFAOYSA-N 1 1 270.763 3.486 20 30 CGEDMO C#CC[N@H+](Cc1cc2ccccc2c(Cl)n1)C1CC1 ZINC000830939785 633900129 /nfs/dbraw/zinc/90/01/29/633900129.db2.gz CVAFSSOOJDFNJM-UHFFFAOYSA-N 1 1 270.763 3.486 20 30 CGEDMO C[C@H]([NH2+]CC(C)(C)CC#N)c1c(F)cccc1[N+](=O)[O-] ZINC000872078220 634001252 /nfs/dbraw/zinc/00/12/52/634001252.db2.gz GNVBGZUCUDOHFY-JTQLQIEISA-N 1 1 279.315 3.324 20 30 CGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ccc(C)c(OC)c2)no1 ZINC000872174817 634078642 /nfs/dbraw/zinc/07/86/42/634078642.db2.gz DIHHELWEFIXXHC-LLVKDONJSA-N 1 1 293.754 3.196 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872279436 634098017 /nfs/dbraw/zinc/09/80/17/634098017.db2.gz FWCYZPJRMCCYAV-OAHLLOKOSA-N 1 1 264.413 3.350 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H](C)c1cc(-c2ccccc2)nn1C ZINC000834658063 634209997 /nfs/dbraw/zinc/20/99/97/634209997.db2.gz IMQFWKQWUBMJDS-LBPRGKRZSA-N 1 1 275.783 3.490 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cnc1Cl)CC(C)(C)C ZINC000876626298 634871205 /nfs/dbraw/zinc/87/12/05/634871205.db2.gz VBTSXCCRZVHLLE-UHFFFAOYSA-N 1 1 251.761 3.085 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)cnc1Cl)CC(C)(C)C ZINC000876626298 634871207 /nfs/dbraw/zinc/87/12/07/634871207.db2.gz VBTSXCCRZVHLLE-UHFFFAOYSA-N 1 1 251.761 3.085 20 30 CGEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000876723761 634886987 /nfs/dbraw/zinc/88/69/87/634886987.db2.gz GVCDBHKELKEFRS-OAHLLOKOSA-N 1 1 295.386 3.207 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)OCCC1(C#N)CCCCC1 ZINC000840520277 635018178 /nfs/dbraw/zinc/01/81/78/635018178.db2.gz PUMZDFIWJYPJRG-GASCZTMLSA-N 1 1 292.423 3.267 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cnc1Cl)C[C@@H]1CC=CCC1 ZINC000877307733 635022447 /nfs/dbraw/zinc/02/24/47/635022447.db2.gz LEXNCBYAUSGIQS-GFCCVEGCSA-N 1 1 275.783 3.395 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000877315978 635024262 /nfs/dbraw/zinc/02/42/62/635024262.db2.gz YWWDRJGRNAZUSC-MRXNPFEDSA-N 1 1 279.424 3.045 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@H](c3c(F)cccc3F)C2)n1 ZINC000877398017 635034617 /nfs/dbraw/zinc/03/46/17/635034617.db2.gz AHLWUAFLAQXRHS-LBPRGKRZSA-N 1 1 299.324 3.221 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)n1 ZINC000877398017 635034620 /nfs/dbraw/zinc/03/46/20/635034620.db2.gz AHLWUAFLAQXRHS-LBPRGKRZSA-N 1 1 299.324 3.221 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@](CC)(CO)C1 ZINC000877439193 635041243 /nfs/dbraw/zinc/04/12/43/635041243.db2.gz XZHYQGOJVFOFLD-INIZCTEOSA-N 1 1 251.414 3.055 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1N ZINC000877480566 635053824 /nfs/dbraw/zinc/05/38/24/635053824.db2.gz ZMRMYMLFVGPQEW-MRVPVSSYSA-N 1 1 257.164 3.029 20 30 CGEDMO C#C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)cc1F ZINC000877519844 635068963 /nfs/dbraw/zinc/06/89/63/635068963.db2.gz ZSYHKOODFJSCFK-KFNAQCHYSA-N 1 1 294.801 3.226 20 30 CGEDMO CCOc1cc(F)cc(C[NH2+]CC2(C#N)CCCC2)c1 ZINC000877609112 635110581 /nfs/dbraw/zinc/11/05/81/635110581.db2.gz HLYHGTOXXVMIJU-UHFFFAOYSA-N 1 1 276.355 3.398 20 30 CGEDMO N#Cc1cnc(Cl)c(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c1 ZINC000877614117 635113358 /nfs/dbraw/zinc/11/33/58/635113358.db2.gz GKDCXUZNHYQFRN-CYBMUJFWSA-N 1 1 297.736 3.228 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc3c(ccnc3Cl)o2)C1 ZINC000877617926 635115170 /nfs/dbraw/zinc/11/51/70/635115170.db2.gz ZUJANXVDBARNQR-NSHDSACASA-N 1 1 274.751 3.326 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cccnc2Br)C1 ZINC000877651411 635132841 /nfs/dbraw/zinc/13/28/41/635132841.db2.gz XTHHWUWZKKXCKH-LLVKDONJSA-N 1 1 281.197 3.242 20 30 CGEDMO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)n1 ZINC000877658448 635135647 /nfs/dbraw/zinc/13/56/47/635135647.db2.gz YVBCWEPIFJRDJZ-ZYSHUDEJSA-N 1 1 289.382 3.189 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000877703983 635155395 /nfs/dbraw/zinc/15/53/95/635155395.db2.gz DDPRYUBQUKNDPU-BJWYYQGGSA-N 1 1 254.377 3.079 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000877961705 635290703 /nfs/dbraw/zinc/29/07/03/635290703.db2.gz VTFUZZNEJSZIQE-HNNXBMFYSA-N 1 1 269.392 3.035 20 30 CGEDMO C[C@H](c1cccc(F)c1)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000842147427 635296898 /nfs/dbraw/zinc/29/68/98/635296898.db2.gz CYOSCFNNYNXVIH-FZKQIMNGSA-N 1 1 298.361 3.424 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000878021833 635324112 /nfs/dbraw/zinc/32/41/12/635324112.db2.gz REQUEIWXDWWZPC-UONOGXRCSA-N 1 1 282.428 3.188 20 30 CGEDMO C#CCCCCC[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000878169014 635390640 /nfs/dbraw/zinc/39/06/40/635390640.db2.gz HWAFHOHOTZESFS-LJQANCHMSA-N 1 1 277.433 3.049 20 30 CGEDMO C#CC[N@H+](CC)Cc1oc(-c2ccccc2)nc1C ZINC000878167467 635390923 /nfs/dbraw/zinc/39/09/23/635390923.db2.gz UGRFRQWRLMEONF-UHFFFAOYSA-N 1 1 254.333 3.105 20 30 CGEDMO CC(=NNC12CC(C1)C2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000842546233 635399617 /nfs/dbraw/zinc/39/96/17/635399617.db2.gz FVHUPAWAOKFYAH-LXPRWKDFSA-N 1 1 283.419 3.027 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCC2(CCC2)C1)c1ccccc1 ZINC000878187989 635402527 /nfs/dbraw/zinc/40/25/27/635402527.db2.gz KJKAWELDCUOQLK-LJQANCHMSA-N 1 1 296.414 3.303 20 30 CGEDMO C[C@H](CC#N)[N@H+](C)C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000878188874 635403532 /nfs/dbraw/zinc/40/35/32/635403532.db2.gz OXSQYGXPVGWRRN-VNQPRFMTSA-N 1 1 258.365 3.141 20 30 CGEDMO C[C@H](CC#N)[N@@H+](C)C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000878188874 635403542 /nfs/dbraw/zinc/40/35/42/635403542.db2.gz OXSQYGXPVGWRRN-VNQPRFMTSA-N 1 1 258.365 3.141 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000842627081 635420565 /nfs/dbraw/zinc/42/05/65/635420565.db2.gz CYYRUOICPQIDIC-HNNXBMFYSA-N 1 1 257.377 3.244 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@H](C)[C@@H](C)C1)c1ccccc1 ZINC000878328808 635463230 /nfs/dbraw/zinc/46/32/30/635463230.db2.gz OWBPXCOSZLYGEY-TXPKVOOTSA-N 1 1 298.430 3.405 20 30 CGEDMO C#CCCC[N@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000878449829 635511764 /nfs/dbraw/zinc/51/17/64/635511764.db2.gz ZJNRHQLWAQGFLV-INIZCTEOSA-N 1 1 281.403 3.162 20 30 CGEDMO C=CC[C@@H](C)[N@@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000878465881 635521536 /nfs/dbraw/zinc/52/15/36/635521536.db2.gz GYSBDNCHSKGHMX-ABAIWWIYSA-N 1 1 267.319 3.303 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000878465881 635521542 /nfs/dbraw/zinc/52/15/42/635521542.db2.gz GYSBDNCHSKGHMX-ABAIWWIYSA-N 1 1 267.319 3.303 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H]1C[C@@H](OC)C1 ZINC000878608077 635567677 /nfs/dbraw/zinc/56/76/77/635567677.db2.gz FXMAQXGAPVVERK-WOVMCDHWSA-N 1 1 291.439 3.267 20 30 CGEDMO C#CCCCCC[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000878677093 635601792 /nfs/dbraw/zinc/60/17/92/635601792.db2.gz CDQBEMFDJVSLGZ-SJORKVTESA-N 1 1 275.436 3.461 20 30 CGEDMO C#CCCCCC[N@@H+]1CCN(C)C[C@H]1Cc1ccccc1 ZINC000878807817 635634736 /nfs/dbraw/zinc/63/47/36/635634736.db2.gz HXMLXJLEJCXXPQ-LJQANCHMSA-N 1 1 284.447 3.039 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(Nc2ccccc2C#N)CC1 ZINC000878962649 635666513 /nfs/dbraw/zinc/66/65/13/635666513.db2.gz UWQGUBMSOZGVNM-UHFFFAOYSA-N 1 1 275.783 3.187 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(C)o2)C1 ZINC000843423657 635666903 /nfs/dbraw/zinc/66/69/03/635666903.db2.gz HOWFSDNSCCFSMA-AWEZNQCLSA-N 1 1 283.375 3.213 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000843423710 635668148 /nfs/dbraw/zinc/66/81/48/635668148.db2.gz IRHBAOXRRXZNKU-HNNXBMFYSA-N 1 1 279.387 3.312 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000843423710 635668151 /nfs/dbraw/zinc/66/81/51/635668151.db2.gz IRHBAOXRRXZNKU-HNNXBMFYSA-N 1 1 279.387 3.312 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000843423710 635668157 /nfs/dbraw/zinc/66/81/57/635668157.db2.gz IRHBAOXRRXZNKU-HNNXBMFYSA-N 1 1 279.387 3.312 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000843423762 635668547 /nfs/dbraw/zinc/66/85/47/635668547.db2.gz JJUULQBUFHFQNI-AWEZNQCLSA-N 1 1 297.427 3.440 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cnc(Cl)c(C)c2)C1 ZINC000843423987 635668799 /nfs/dbraw/zinc/66/87/99/635668799.db2.gz NLUUGOAYWASXNX-ZDUSSCGKSA-N 1 1 262.784 3.279 20 30 CGEDMO C#CC1CC[NH+](Cc2ncc(C(C)(C)C)s2)CC1 ZINC000843426755 635671760 /nfs/dbraw/zinc/67/17/60/635671760.db2.gz JMJKINAXROQWQT-UHFFFAOYSA-N 1 1 262.422 3.286 20 30 CGEDMO CC[N@@H+](CCSC)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000843437843 635675727 /nfs/dbraw/zinc/67/57/27/635675727.db2.gz XGBOESWGBMNBNR-CYBMUJFWSA-N 1 1 278.421 3.162 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCC[C@H](c2ncc(C(=O)OC)s2)C1 ZINC000879008612 635680125 /nfs/dbraw/zinc/68/01/25/635680125.db2.gz VAKAKZAUOHQUGD-NEPJUHHUSA-N 1 1 294.420 3.074 20 30 CGEDMO N#CCc1cccc2c1CC[N@@H+](C[C@@H]1CC3(CCC3)CO1)C2 ZINC000879065132 635693384 /nfs/dbraw/zinc/69/33/84/635693384.db2.gz TUOIHPIIEDOJGL-KRWDZBQOSA-N 1 1 296.414 3.070 20 30 CGEDMO CC#CC[NH2+]C(C)(C)c1nc2cc(Cl)ccc2o1 ZINC000879159267 635718262 /nfs/dbraw/zinc/71/82/62/635718262.db2.gz RWMQQGQXVFISFP-UHFFFAOYSA-N 1 1 262.740 3.329 20 30 CGEDMO CC[C@H]([NH2+]CC1(C#N)CCC1)c1cccc(OC)c1OC ZINC000879466046 635792404 /nfs/dbraw/zinc/79/24/04/635792404.db2.gz LUDQIXCNZLFYMB-AWEZNQCLSA-N 1 1 288.391 3.438 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879564630 635810750 /nfs/dbraw/zinc/81/07/50/635810750.db2.gz IBWMXRCLPREISP-OCCSQVGLSA-N 1 1 292.835 3.397 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879564630 635810754 /nfs/dbraw/zinc/81/07/54/635810754.db2.gz IBWMXRCLPREISP-OCCSQVGLSA-N 1 1 292.835 3.397 20 30 CGEDMO C[N@@H+](CCCCC(C)(C)C#N)C[C@@H](O)c1cccc(C#N)c1 ZINC000844371343 635882256 /nfs/dbraw/zinc/88/22/56/635882256.db2.gz NGLPVWVZHBYHEJ-QGZVFWFLSA-N 1 1 299.418 3.244 20 30 CGEDMO C=CCCC[C@@H](C)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844372109 635883692 /nfs/dbraw/zinc/88/36/92/635883692.db2.gz UXWFYKHGMGENSB-PBHICJAKSA-N 1 1 272.392 3.268 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CC[C@@]2(CCc3ccccc32)C1 ZINC000879997007 635892608 /nfs/dbraw/zinc/89/26/08/635892608.db2.gz LYGMLQWQDDFEBD-PBHICJAKSA-N 1 1 254.377 3.269 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@]2(CCc3ccccc32)C1 ZINC000879997009 635892853 /nfs/dbraw/zinc/89/28/53/635892853.db2.gz LYGMLQWQDDFEBD-WMLDXEAASA-N 1 1 254.377 3.269 20 30 CGEDMO CCc1ccc(C[NH+]2CCN([C@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000880249289 635956228 /nfs/dbraw/zinc/95/62/28/635956228.db2.gz VHNNHNLXQKHEFA-OALUTQOASA-N 1 1 297.446 3.059 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCCC[C@H](C3CCOCC3)C2)C1 ZINC000880577777 636025892 /nfs/dbraw/zinc/02/58/92/636025892.db2.gz KSQCLTGOCXQPDC-PVAVHDDUSA-N 1 1 276.424 3.207 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2C[C@H](CC)OC[C@H]2C)cc1 ZINC000846042918 636137252 /nfs/dbraw/zinc/13/72/52/636137252.db2.gz HNYCPNYYHVOOKX-WBVHZDCISA-N 1 1 287.403 3.088 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2C[C@H](CC)OC[C@H]2C)cc1 ZINC000846042918 636137254 /nfs/dbraw/zinc/13/72/54/636137254.db2.gz HNYCPNYYHVOOKX-WBVHZDCISA-N 1 1 287.403 3.088 20 30 CGEDMO C#C[C@H]1CCC[N@@H+]([C@H](C)c2nc(-c3cccs3)no2)C1 ZINC000847022658 636314187 /nfs/dbraw/zinc/31/41/87/636314187.db2.gz IMOJPSNFZFSTFH-NEPJUHHUSA-N 1 1 287.388 3.204 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@H](C)c2nc(-c3cccs3)no2)C1 ZINC000847022658 636314191 /nfs/dbraw/zinc/31/41/91/636314191.db2.gz IMOJPSNFZFSTFH-NEPJUHHUSA-N 1 1 287.388 3.204 20 30 CGEDMO C#C[C@H]1CCC[N@H+](C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000847023644 636315504 /nfs/dbraw/zinc/31/55/04/636315504.db2.gz NGHYSNUNWDLMAD-SWLSCSKDSA-N 1 1 297.320 3.084 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2csc(Br)c2)C1 ZINC000847026429 636316987 /nfs/dbraw/zinc/31/69/87/636316987.db2.gz YYFUQLJJTHFGBM-SNVBAGLBSA-N 1 1 284.222 3.356 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2csc(Br)c2)C1 ZINC000847026429 636316990 /nfs/dbraw/zinc/31/69/90/636316990.db2.gz YYFUQLJJTHFGBM-SNVBAGLBSA-N 1 1 284.222 3.356 20 30 CGEDMO Clc1cccc(N=NC2CCC[N@H+]3CCCC[C@@H]23)n1 ZINC000848410469 636570892 /nfs/dbraw/zinc/57/08/92/636570892.db2.gz OYTXHWOHQLHSKF-LBPRGKRZSA-N 1 1 278.787 3.151 20 30 CGEDMO C=CCC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCc2cn[nH]c2C1 ZINC000883197615 636579608 /nfs/dbraw/zinc/57/96/08/636579608.db2.gz PKLMMNGMTABEDF-ROUUACIJSA-N 1 1 295.430 3.434 20 30 CGEDMO C[C@@H]1CCC[C@@H](c2noc([C@H]([NH3+])CCCCC#N)n2)C1 ZINC000848620619 636620291 /nfs/dbraw/zinc/62/02/91/636620291.db2.gz FLHBGNUKJKOXTA-JHJVBQTASA-N 1 1 276.384 3.447 20 30 CGEDMO Cc1cccc(Cc2noc([C@@H]([NH3+])CCCCC#N)n2)c1 ZINC000848621684 636621056 /nfs/dbraw/zinc/62/10/56/636621056.db2.gz NSTNHUOUGTWJOQ-AWEZNQCLSA-N 1 1 284.363 3.053 20 30 CGEDMO CC(=O)c1ccc(C#N)cc1N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848784903 636657129 /nfs/dbraw/zinc/65/71/29/636657129.db2.gz HHSFISYYMGAPJW-AEFFLSMTSA-N 1 1 297.402 3.190 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cccc(CC)c2O)C1 ZINC000848920076 636691886 /nfs/dbraw/zinc/69/18/86/636691886.db2.gz WZCNASKMUUNHNX-AWEZNQCLSA-N 1 1 257.377 3.190 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000848923743 636695474 /nfs/dbraw/zinc/69/54/74/636695474.db2.gz IZOGSAXRKOLLTK-JTQLQIEISA-N 1 1 267.731 3.030 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000848923743 636695476 /nfs/dbraw/zinc/69/54/76/636695476.db2.gz IZOGSAXRKOLLTK-JTQLQIEISA-N 1 1 267.731 3.030 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc3cc(Cl)cnc3o2)C1 ZINC000848923989 636695612 /nfs/dbraw/zinc/69/56/12/636695612.db2.gz MBEYRRKXAGVMCH-NSHDSACASA-N 1 1 274.751 3.326 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC000848923779 636695804 /nfs/dbraw/zinc/69/58/04/636695804.db2.gz PPXMQSWGVLQKKU-LBPRGKRZSA-N 1 1 293.794 3.202 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC000848923779 636695805 /nfs/dbraw/zinc/69/58/05/636695805.db2.gz PPXMQSWGVLQKKU-LBPRGKRZSA-N 1 1 293.794 3.202 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000848924587 636696940 /nfs/dbraw/zinc/69/69/40/636696940.db2.gz WEQVKXKYGOVKEM-CQSZACIVSA-N 1 1 250.345 3.080 20 30 CGEDMO CCOc1cccc(C[N@@H+]2Cc3ccc(C#N)cc3C2)c1O ZINC000848925751 636697095 /nfs/dbraw/zinc/69/70/95/636697095.db2.gz JBYVPXMYVRVTMC-UHFFFAOYSA-N 1 1 294.354 3.178 20 30 CGEDMO CCOc1cccc(C[N@H+]2Cc3ccc(C#N)cc3C2)c1O ZINC000848925751 636697101 /nfs/dbraw/zinc/69/71/01/636697101.db2.gz JBYVPXMYVRVTMC-UHFFFAOYSA-N 1 1 294.354 3.178 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000848924436 636697195 /nfs/dbraw/zinc/69/71/95/636697195.db2.gz SMRAIRJWSWDBPU-INIZCTEOSA-N 1 1 282.387 3.214 20 30 CGEDMO CCCCCCCCNC(=[NH2+])NC[C@@H](C)N1CCCCC1 ZINC000849071975 636738409 /nfs/dbraw/zinc/73/84/09/636738409.db2.gz WMKUUNYQNFTKRZ-MRXNPFEDSA-N 1 1 296.503 3.335 20 30 CGEDMO CC[C@H]1CC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000134983339 637060190 /nfs/dbraw/zinc/06/01/90/637060190.db2.gz QZAQQFDBZNJYRD-AWEZNQCLSA-N 1 1 258.365 3.059 20 30 CGEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@@]3(CC=CCC3)C2)CCC1 ZINC000886011052 637359422 /nfs/dbraw/zinc/35/94/22/637359422.db2.gz VATKYAKPALVHIW-IRXDYDNUSA-N 1 1 288.435 3.254 20 30 CGEDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886012401 637362017 /nfs/dbraw/zinc/36/20/17/637362017.db2.gz GRGAWHJSYYFJEI-NJAFHUGGSA-N 1 1 298.430 3.309 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000886017367 637366244 /nfs/dbraw/zinc/36/62/44/637366244.db2.gz YXWQOMSKJIPLMN-GJZGRUSLSA-N 1 1 264.413 3.206 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000886017367 637366252 /nfs/dbraw/zinc/36/62/52/637366252.db2.gz YXWQOMSKJIPLMN-GJZGRUSLSA-N 1 1 264.413 3.206 20 30 CGEDMO CC(C)(C)C1=CC[N@@H+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000886089777 637404830 /nfs/dbraw/zinc/40/48/30/637404830.db2.gz JJDYGJBOUPQXQY-OAHLLOKOSA-N 1 1 276.424 3.109 20 30 CGEDMO Cc1cc(F)ccc1C[N@@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000886169557 637446026 /nfs/dbraw/zinc/44/60/26/637446026.db2.gz ALZPNOATQMQZBX-MRXNPFEDSA-N 1 1 290.382 3.011 20 30 CGEDMO C[C@H](C1CCCCC1)[N@@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000886192021 637453989 /nfs/dbraw/zinc/45/39/89/637453989.db2.gz DNNDCCSDXAHSBT-GDBMZVCRSA-N 1 1 278.440 3.332 20 30 CGEDMO COc1ccc(C[N@@H+](C)CCc2ccc(C#N)cc2)cc1F ZINC000851716012 637473086 /nfs/dbraw/zinc/47/30/86/637473086.db2.gz HDPKEYSNPFITRA-UHFFFAOYSA-N 1 1 298.361 3.380 20 30 CGEDMO C=CC[N@H+](CC[C@H]1Sc2ccccc2NC1=O)C(C)C ZINC000851731035 637481177 /nfs/dbraw/zinc/48/11/77/637481177.db2.gz JHOPBODVSAMSRA-OAHLLOKOSA-N 1 1 290.432 3.386 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](CCCC(=O)Nc2c(C)cccc2C)C1 ZINC000886353162 637509240 /nfs/dbraw/zinc/50/92/40/637509240.db2.gz CRQQHERRCXIINI-QGZVFWFLSA-N 1 1 298.430 3.367 20 30 CGEDMO C#CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000886355524 637511616 /nfs/dbraw/zinc/51/16/16/637511616.db2.gz JWACMTHILZWRKL-DLBZAZTESA-N 1 1 298.430 3.284 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000886357430 637511815 /nfs/dbraw/zinc/51/18/15/637511815.db2.gz GRRYNLNWQZEHPF-ZDUSSCGKSA-N 1 1 284.334 3.326 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC000886364003 637513642 /nfs/dbraw/zinc/51/36/42/637513642.db2.gz LXSJSPVILCJDIK-JTQLQIEISA-N 1 1 269.175 3.234 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2nc(Cl)ccc2Cl)C1 ZINC000886364003 637513649 /nfs/dbraw/zinc/51/36/49/637513649.db2.gz LXSJSPVILCJDIK-JTQLQIEISA-N 1 1 269.175 3.234 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2ccc(Cl)nc2Cl)C1 ZINC000886363822 637513757 /nfs/dbraw/zinc/51/37/57/637513757.db2.gz DRNYOGWDIZXKGF-SNVBAGLBSA-N 1 1 269.175 3.234 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(Cl)nc2Cl)C1 ZINC000886363822 637513761 /nfs/dbraw/zinc/51/37/61/637513761.db2.gz DRNYOGWDIZXKGF-SNVBAGLBSA-N 1 1 269.175 3.234 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000886367141 637515640 /nfs/dbraw/zinc/51/56/40/637515640.db2.gz LUFCFKIBPGPVMY-BPQIPLTHSA-N 1 1 269.388 3.252 20 30 CGEDMO C#CCOCC[N@@H+]1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000851922466 637545715 /nfs/dbraw/zinc/54/57/15/637545715.db2.gz AZNZPOJWFJTNNV-CQSZACIVSA-N 1 1 297.320 3.145 20 30 CGEDMO C#CC(C)(C)[N@H+](C)CCSc1cccc(OC)c1 ZINC000851986165 637565847 /nfs/dbraw/zinc/56/58/47/637565847.db2.gz DHFJPSFEKDSVPS-UHFFFAOYSA-N 1 1 263.406 3.131 20 30 CGEDMO C#C[C@](C)(CC)[NH2+]Cc1coc(-c2cccs2)n1 ZINC000852098095 637591234 /nfs/dbraw/zinc/59/12/34/637591234.db2.gz FKIICMNKZOCIOY-CQSZACIVSA-N 1 1 260.362 3.295 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000852098946 637593197 /nfs/dbraw/zinc/59/31/97/637593197.db2.gz ZSOPRSVTYNSWLK-INIZCTEOSA-N 1 1 254.333 3.233 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cccc(F)n1 ZINC000852191249 637611774 /nfs/dbraw/zinc/61/17/74/637611774.db2.gz FCIOACUJNNKRAG-LBPRGKRZSA-N 1 1 269.323 3.285 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cccc(F)n1 ZINC000852191249 637611780 /nfs/dbraw/zinc/61/17/80/637611780.db2.gz FCIOACUJNNKRAG-LBPRGKRZSA-N 1 1 269.323 3.285 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000852320735 637634604 /nfs/dbraw/zinc/63/46/04/637634604.db2.gz OGGBAXOMEVPHIV-GHMZBOCLSA-N 1 1 261.196 3.196 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2ccc(OC(C)=O)cc2)C1 ZINC000852410228 637648614 /nfs/dbraw/zinc/64/86/14/637648614.db2.gz KDSULQZZHCCGFP-HNNXBMFYSA-N 1 1 273.376 3.400 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000852410442 637649729 /nfs/dbraw/zinc/64/97/29/637649729.db2.gz MDEBFVNXOVXWER-ZDUSSCGKSA-N 1 1 255.365 3.351 20 30 CGEDMO C=CC[N@@H+](Cc1cccc2c1OCCO2)C(C)(C)C ZINC000852554385 637678769 /nfs/dbraw/zinc/67/87/69/637678769.db2.gz LDBFAPMZWZPOSZ-UHFFFAOYSA-N 1 1 261.365 3.244 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H](C)[C@H]1CCCNC(=O)OC(C)(C)C ZINC000852598678 637685958 /nfs/dbraw/zinc/68/59/58/637685958.db2.gz VHSIPKGGUMFHCT-HUUCEWRRSA-N 1 1 294.439 3.025 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](C[C@H](O)c2cccc3ccccc32)C1 ZINC000852686818 637696608 /nfs/dbraw/zinc/69/66/08/637696608.db2.gz MVDFJSRCAWJQET-ROUUACIJSA-N 1 1 280.371 3.109 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](C[C@H](O)c2cccc3ccccc32)C1 ZINC000852686818 637696611 /nfs/dbraw/zinc/69/66/11/637696611.db2.gz MVDFJSRCAWJQET-ROUUACIJSA-N 1 1 280.371 3.109 20 30 CGEDMO C#CCOCCS[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000853021178 637736082 /nfs/dbraw/zinc/73/60/82/637736082.db2.gz DZTZNZNFLQYNAR-QGZVFWFLSA-N 1 1 289.444 3.034 20 30 CGEDMO C#Cc1cccnc1NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000853167575 637776742 /nfs/dbraw/zinc/77/67/42/637776742.db2.gz SOMNAROLESQUAP-IYBDPMFKSA-N 1 1 285.435 3.233 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cn2ccc(-c3ccsc3)n2)C1 ZINC000853523157 637861904 /nfs/dbraw/zinc/86/19/04/637861904.db2.gz AWKDZEAPMIKHKP-ZDUSSCGKSA-N 1 1 286.404 3.195 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cn2ccc(-c3ccsc3)n2)C1 ZINC000853523157 637861906 /nfs/dbraw/zinc/86/19/06/637861906.db2.gz AWKDZEAPMIKHKP-ZDUSSCGKSA-N 1 1 286.404 3.195 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CN2C(=O)[C@H](C)[C@@H]2c2ccccc2)C1 ZINC000853537419 637863651 /nfs/dbraw/zinc/86/36/51/637863651.db2.gz XRCSSZVOSSALEM-JFIYKMOQSA-N 1 1 298.430 3.452 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1csc(C(C)(C)C)n1)C(C)C ZINC000302466081 637900881 /nfs/dbraw/zinc/90/08/81/637900881.db2.gz YYDSXEXZWNOMLU-GFCCVEGCSA-N 1 1 250.411 3.188 20 30 CGEDMO CC(C)n1cc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)nn1 ZINC000924786668 638404363 /nfs/dbraw/zinc/40/43/63/638404363.db2.gz SNDALBAJOIFNDH-OLZOCXBDSA-N 1 1 283.379 3.142 20 30 CGEDMO CC[C@@H]1CCCC[N@@H+]1CCN[C@@H](C)CC(C)(C)C#N ZINC000925052200 638443688 /nfs/dbraw/zinc/44/36/88/638443688.db2.gz PHGCKMATQWCTNW-LSDHHAIUSA-N 1 1 265.445 3.169 20 30 CGEDMO CC[C@@H]1CCCC[N@H+]1CCN[C@@H](C)CC(C)(C)C#N ZINC000925052200 638443694 /nfs/dbraw/zinc/44/36/94/638443694.db2.gz PHGCKMATQWCTNW-LSDHHAIUSA-N 1 1 265.445 3.169 20 30 CGEDMO C=C(C)CN(C)C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857174396 638466962 /nfs/dbraw/zinc/46/69/62/638466962.db2.gz NBAGTHDUYOGLLZ-QGZVFWFLSA-N 1 1 286.419 3.144 20 30 CGEDMO C=C(C[NH2+][C@H]1CCCc2c[nH]nc21)c1ccccc1 ZINC000857849785 638576305 /nfs/dbraw/zinc/57/63/05/638576305.db2.gz NJIDNWYMUMGVML-HNNXBMFYSA-N 1 1 253.349 3.090 20 30 CGEDMO CCCCCCCNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000858110785 638631410 /nfs/dbraw/zinc/63/14/10/638631410.db2.gz IOXFTKXKQVWCBF-INIZCTEOSA-N 1 1 297.487 3.376 20 30 CGEDMO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1c2ccccc2OC[C@@H]1F ZINC000926891511 638821904 /nfs/dbraw/zinc/82/19/04/638821904.db2.gz YXIRVQUKFTYNHE-ZLDLUXBVSA-N 1 1 276.355 3.376 20 30 CGEDMO C=CCn1ncc2ccc(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc21 ZINC000927066820 638837326 /nfs/dbraw/zinc/83/73/26/638837326.db2.gz JXNPGZMQALZSTH-ALOPSCKCSA-N 1 1 296.418 3.259 20 30 CGEDMO C[C@H](C(=O)Nc1ccc(CCC#N)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000928406952 638881336 /nfs/dbraw/zinc/88/13/36/638881336.db2.gz ZUIHYUSZOFDTNF-QLFBSQMISA-N 1 1 299.418 3.343 20 30 CGEDMO C=CCN(Cc1cccs1)Cc1[nH]c(C)[nH+]c1C ZINC000929140794 638902285 /nfs/dbraw/zinc/90/22/85/638902285.db2.gz KSZUCLZBGOIRJS-UHFFFAOYSA-N 1 1 261.394 3.276 20 30 CGEDMO Cc1noc(C)c1C[N@@H+](C)CC1CCC(C#N)CC1 ZINC000929253718 638912432 /nfs/dbraw/zinc/91/24/32/638912432.db2.gz JTSRMZOTYRFASK-UHFFFAOYSA-N 1 1 261.369 3.053 20 30 CGEDMO CCC[N@@H+](C/C=C(/C)COC)Cc1ccc(C#N)cc1 ZINC000929270600 638913529 /nfs/dbraw/zinc/91/35/29/638913529.db2.gz QPZPWMVUWPDRQB-DHDCSXOGSA-N 1 1 272.392 3.363 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@@H+](C[C@H]2CCOC2)C2CC2)c1 ZINC000929266097 638913773 /nfs/dbraw/zinc/91/37/73/638913773.db2.gz HLFDDOBLJLJEOB-GFCCVEGCSA-N 1 1 290.794 3.213 20 30 CGEDMO C[N@@H+](Cc1cncc(C#N)c1)C1CCCCCCC1 ZINC000929426115 638924938 /nfs/dbraw/zinc/92/49/38/638924938.db2.gz RTXSVFFVXZVSDC-UHFFFAOYSA-N 1 1 257.381 3.498 20 30 CGEDMO C[N@@H+](CCc1ccc(Cl)cc1)Cc1cncc(C#N)c1 ZINC000929640221 638936442 /nfs/dbraw/zinc/93/64/42/638936442.db2.gz JOQGGXXPJGUAKX-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000929782308 638951429 /nfs/dbraw/zinc/95/14/29/638951429.db2.gz LRCPZXMQOTXAFP-DOTOQJQBSA-N 1 1 285.435 3.090 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000929782308 638951438 /nfs/dbraw/zinc/95/14/38/638951438.db2.gz LRCPZXMQOTXAFP-DOTOQJQBSA-N 1 1 285.435 3.090 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000929782308 638951440 /nfs/dbraw/zinc/95/14/40/638951440.db2.gz LRCPZXMQOTXAFP-DOTOQJQBSA-N 1 1 285.435 3.090 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+](C)[C@H](CO)C(C)(C)C ZINC000930056638 638971365 /nfs/dbraw/zinc/97/13/65/638971365.db2.gz BYGPMNCWVBKAHS-MRXNPFEDSA-N 1 1 274.408 3.014 20 30 CGEDMO N#CC1(CCCC[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)CCC1 ZINC000930071749 638972447 /nfs/dbraw/zinc/97/24/47/638972447.db2.gz KVWBFVYHNJJPKY-HZPDHXFCSA-N 1 1 276.424 3.209 20 30 CGEDMO C#CC[C@H]([NH2+]Cc1c(C)noc1CC)c1ccccc1 ZINC000930217184 638983870 /nfs/dbraw/zinc/98/38/70/638983870.db2.gz KKIXSSKBTSMFEQ-INIZCTEOSA-N 1 1 268.360 3.400 20 30 CGEDMO CN(C)C1(C[N@@H+](C)CCCCC2(C#N)CCC2)CCC1 ZINC000930249872 638985978 /nfs/dbraw/zinc/98/59/78/638985978.db2.gz URIPIQMYUICMOP-UHFFFAOYSA-N 1 1 277.456 3.267 20 30 CGEDMO CN(CCCCC1(C#N)CCC1)CC1([NH+](C)C)CCC1 ZINC000930249872 638985981 /nfs/dbraw/zinc/98/59/81/638985981.db2.gz URIPIQMYUICMOP-UHFFFAOYSA-N 1 1 277.456 3.267 20 30 CGEDMO CO[C@H]1CC[N@@H+](CCCCC2(C#N)CCC2)[C@H](C)C1 ZINC000930325086 638990787 /nfs/dbraw/zinc/99/07/87/638990787.db2.gz VPPZZWSUMAZAAL-CABCVRRESA-N 1 1 264.413 3.350 20 30 CGEDMO CC1=C(c2ccco2)C[N@@H+](Cc2cncc(C#N)c2)CC1 ZINC000930350168 638992438 /nfs/dbraw/zinc/99/24/38/638992438.db2.gz FTVXXXIYFORLTF-UHFFFAOYSA-N 1 1 279.343 3.226 20 30 CGEDMO Cc1ccc(C[N@@H+](C)CCCOc2ccc(C#N)cc2)o1 ZINC000035699743 639047512 /nfs/dbraw/zinc/04/75/12/639047512.db2.gz ALBANDGCMAVKPB-UHFFFAOYSA-N 1 1 284.359 3.361 20 30 CGEDMO CC1(C)C[N@@H+](CCCCC2(C#N)CCC2)[C@@H]2COC[C@@H]21 ZINC000930672325 639050679 /nfs/dbraw/zinc/05/06/79/639050679.db2.gz KEWTUQLQJBMUBY-LSDHHAIUSA-N 1 1 276.424 3.207 20 30 CGEDMO N#CC1CCC(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)CC1 ZINC000930704157 639056845 /nfs/dbraw/zinc/05/68/45/639056845.db2.gz VQTQDANNJZTOJT-MUDYYLEHSA-N 1 1 290.451 3.189 20 30 CGEDMO C[N@@H+](CC1CCC(C#N)CC1)C[C@@](C)(O)c1ccccc1 ZINC000930763808 639065916 /nfs/dbraw/zinc/06/59/16/639065916.db2.gz OYFQZNMJRZHJMF-LEOMRAHMSA-N 1 1 286.419 3.156 20 30 CGEDMO Cc1ccc(C[N@@H+](CC(C)C)C[C@H](O)CC#N)c(C)c1 ZINC000930811254 639070362 /nfs/dbraw/zinc/07/03/62/639070362.db2.gz BOQXQBQYHBUTQD-QGZVFWFLSA-N 1 1 274.408 3.036 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](C[C@H]2CCCC3(CCC3)O2)C1 ZINC000930815477 639070836 /nfs/dbraw/zinc/07/08/36/639070836.db2.gz CWLANILGICSIFD-JKSUJKDBSA-N 1 1 261.409 3.214 20 30 CGEDMO C[C@@]1(Cc2cccc(Cl)c2)CCC[N@H+]1C[C@H](O)CC#N ZINC000930850488 639075833 /nfs/dbraw/zinc/07/58/33/639075833.db2.gz SCVARCAGTCKNQH-CVEARBPZSA-N 1 1 292.810 3.012 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC000930885167 639082336 /nfs/dbraw/zinc/08/23/36/639082336.db2.gz KICKCIKRLCOPKJ-KBMXLJTQSA-N 1 1 275.342 3.381 20 30 CGEDMO CCc1ncc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)o1 ZINC000930885887 639082348 /nfs/dbraw/zinc/08/23/48/639082348.db2.gz BVWQJORWSOCIKL-UHFFFAOYSA-N 1 1 281.359 3.278 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000931063815 639105858 /nfs/dbraw/zinc/10/58/58/639105858.db2.gz VRJVAGNNSJRVEN-YVECIDJPSA-N 1 1 275.314 3.279 20 30 CGEDMO N#CCCC[N@H+]1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC000931365510 639140813 /nfs/dbraw/zinc/14/08/13/639140813.db2.gz GWVKXOWMBQEYQD-ZDUSSCGKSA-N 1 1 268.364 3.046 20 30 CGEDMO C=CC[C@H]1CC[N@H+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000859445421 639143203 /nfs/dbraw/zinc/14/32/03/639143203.db2.gz INMOLSSMZGKBLJ-WFASDCNBSA-N 1 1 265.784 3.271 20 30 CGEDMO C[N@@H+](CCCCC1(C#N)CCC1)[C@@H]1CCCC[C@H]1O ZINC000931381913 639144056 /nfs/dbraw/zinc/14/40/56/639144056.db2.gz INWMOVTZWBKNQX-HUUCEWRRSA-N 1 1 264.413 3.086 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931464585 639155897 /nfs/dbraw/zinc/15/58/97/639155897.db2.gz BGZUZJCWPBQBQC-ZDUSSCGKSA-N 1 1 280.375 3.018 20 30 CGEDMO C[C@@H]1C[C@H](C[N@@H+](C)CCc2cccc(C#N)c2)C[C@H](C)O1 ZINC000931508385 639162946 /nfs/dbraw/zinc/16/29/46/639162946.db2.gz CXHXHVGQXSKWOY-HWWDLCQESA-N 1 1 286.419 3.236 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC000859589962 639169695 /nfs/dbraw/zinc/16/96/95/639169695.db2.gz STOBKQRJNSOZOU-KRWDZBQOSA-N 1 1 259.393 3.326 20 30 CGEDMO C=C(C)CC[N@H+]1CCc2nc[nH]c2[C@H]1c1ccccc1 ZINC000931794967 639206551 /nfs/dbraw/zinc/20/65/51/639206551.db2.gz DIODDWXQMGMGEO-QGZVFWFLSA-N 1 1 267.376 3.323 20 30 CGEDMO Cc1nc([C@H]2CC[N@@H+](CCC3(C#N)CCCCC3)C2)no1 ZINC000931934930 639237097 /nfs/dbraw/zinc/23/70/97/639237097.db2.gz IOACGAKXVMZMHA-AWEZNQCLSA-N 1 1 288.395 3.032 20 30 CGEDMO CC(C)(C)OC[C@@H]1CCC[N@H+]1CCC(C)(C)C#N ZINC000932168927 639284391 /nfs/dbraw/zinc/28/43/91/639284391.db2.gz WAJGATYHDUXHLL-ZDUSSCGKSA-N 1 1 252.402 3.206 20 30 CGEDMO Cc1cc(F)ccc1[C@@H](C)[NH2+]Cc1ccncc1C#N ZINC000932563101 639355094 /nfs/dbraw/zinc/35/50/94/639355094.db2.gz ZREIQXJALMTBLF-GFCCVEGCSA-N 1 1 269.323 3.252 20 30 CGEDMO N#Cc1csc(C[N@H+]2C[C@H](C3CC3)C[C@@H]2C2CC2)n1 ZINC000932890102 639394730 /nfs/dbraw/zinc/39/47/30/639394730.db2.gz KBGYOBMOZARSRG-TZMCWYRMSA-N 1 1 273.405 3.025 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCC[C@@H](C3CCOCC3)C2)cc1 ZINC000933082183 639414865 /nfs/dbraw/zinc/41/48/65/639414865.db2.gz SUABTRLSOKQOIN-LJQANCHMSA-N 1 1 298.430 3.391 20 30 CGEDMO C#CCC1([NH2+]Cc2nnsc2Cl)CCCCC1 ZINC000933267555 639434402 /nfs/dbraw/zinc/43/44/02/639434402.db2.gz JVZRITHEQSVDEW-UHFFFAOYSA-N 1 1 269.801 3.007 20 30 CGEDMO Cc1nnc([C@@H](C)[NH+]2CCC(c3ccc(C#N)cc3)CC2)o1 ZINC000933611823 639469282 /nfs/dbraw/zinc/46/92/82/639469282.db2.gz BRBNJJUEPFDJCJ-GFCCVEGCSA-N 1 1 296.374 3.190 20 30 CGEDMO N#Cc1ccc([C@H]2C[N@@H+]([C@@H]3C=CCCC3)CCO2)cc1 ZINC000933629006 639472546 /nfs/dbraw/zinc/47/25/46/639472546.db2.gz RBCVFUKQZGKBBA-IAGOWNOFSA-N 1 1 268.360 3.040 20 30 CGEDMO N#Cc1ccc([C@H]2C[N@H+]([C@@H]3C=CCCC3)CCO2)cc1 ZINC000933629006 639472547 /nfs/dbraw/zinc/47/25/47/639472547.db2.gz RBCVFUKQZGKBBA-IAGOWNOFSA-N 1 1 268.360 3.040 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1ccc(C(=O)OC)c2cccnc12 ZINC000934463142 639611723 /nfs/dbraw/zinc/61/17/23/639611723.db2.gz UALPTHOWHGZOJG-CQSZACIVSA-N 1 1 296.370 3.172 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1nc(C)c2ccccc2n1 ZINC000934463491 639611739 /nfs/dbraw/zinc/61/17/39/639611739.db2.gz BAADYGPXQMMIMX-ZDUSSCGKSA-N 1 1 253.349 3.089 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1nc(C)c2ccccc2n1 ZINC000934463491 639611746 /nfs/dbraw/zinc/61/17/46/639611746.db2.gz BAADYGPXQMMIMX-ZDUSSCGKSA-N 1 1 253.349 3.089 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)C(=O)NCc1cccs1 ZINC000934648830 639650538 /nfs/dbraw/zinc/65/05/38/639650538.db2.gz GCQKLQRXOWSMFV-CYBMUJFWSA-N 1 1 280.437 3.041 20 30 CGEDMO C=CCCC[N@H+](CC)CCc1nc2ccccc2c(=O)[nH]1 ZINC000934647537 639650692 /nfs/dbraw/zinc/65/06/92/639650692.db2.gz AQUMAKWHQIDKQV-UHFFFAOYSA-N 1 1 285.391 3.166 20 30 CGEDMO N#Cc1c(F)cccc1C[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000934700630 639660871 /nfs/dbraw/zinc/66/08/71/639660871.db2.gz TXKQZRBWBQUASK-QGZVFWFLSA-N 1 1 281.334 3.333 20 30 CGEDMO C=CCCCC[N@H+]1C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C1 ZINC000934791003 639677439 /nfs/dbraw/zinc/67/74/39/639677439.db2.gz JAYUGYCRPLFGRM-BETUJISGSA-N 1 1 278.362 3.300 20 30 CGEDMO Cc1cccc(C2=CC[N@@H+](CCO[C@@H](C)C#N)CC2)c1C ZINC000934841400 639688623 /nfs/dbraw/zinc/68/86/23/639688623.db2.gz PDNSCBAPAPVSMK-HNNXBMFYSA-N 1 1 284.403 3.321 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000934873975 639694134 /nfs/dbraw/zinc/69/41/34/639694134.db2.gz ICQLWDSODMUBAY-IAGOWNOFSA-N 1 1 299.418 3.468 20 30 CGEDMO CCCCCCCCC[N@H+]1CCCN(C(C)=O)CC1 ZINC000191859802 640335690 /nfs/dbraw/zinc/33/56/90/640335690.db2.gz VRXSULVOWYQGJU-UHFFFAOYSA-N 1 1 268.445 3.291 20 30 CGEDMO C#CC[N@H+](CCOC(C)C)[C@H]1CCc2ccccc21 ZINC000079997228 640442702 /nfs/dbraw/zinc/44/27/02/640442702.db2.gz DSRGMDUMJHPEGT-KRWDZBQOSA-N 1 1 257.377 3.034 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](C)[C@@H]2C)cc1 ZINC000246096465 640656871 /nfs/dbraw/zinc/65/68/71/640656871.db2.gz IYQWBDUZWULPMK-MCIONIFRSA-N 1 1 258.365 3.208 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)CCC2CC2)cc1 ZINC000092067111 640730113 /nfs/dbraw/zinc/73/01/13/640730113.db2.gz VVBQZMYKKOIVAF-ZDUSSCGKSA-N 1 1 258.365 3.209 20 30 CGEDMO C#CCOc1ccccc1C[N@H+](C)Cc1ccoc1C ZINC000092438705 640737458 /nfs/dbraw/zinc/73/74/58/640737458.db2.gz JZRRLNCRRDGIGW-UHFFFAOYSA-N 1 1 269.344 3.232 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+](C)Cc1ccoc1C ZINC000092438705 640737464 /nfs/dbraw/zinc/73/74/64/640737464.db2.gz JZRRLNCRRDGIGW-UHFFFAOYSA-N 1 1 269.344 3.232 20 30 CGEDMO CC[N@@H+](Cc1ccc(O[C@@H](C)C#N)cc1)Cc1ccccn1 ZINC000093338748 640767602 /nfs/dbraw/zinc/76/76/02/640767602.db2.gz PUQMQMURGWAKFQ-HNNXBMFYSA-N 1 1 295.386 3.395 20 30 CGEDMO C#CC[N@H+](Cc1ccc(COC)cc1)C1CCCC1 ZINC000093819758 640782336 /nfs/dbraw/zinc/78/23/36/640782336.db2.gz CADFYKUOLPLVSZ-UHFFFAOYSA-N 1 1 257.377 3.211 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCCOc2ccc(C#N)cc2)[C@H]1C ZINC000252172580 640840327 /nfs/dbraw/zinc/84/03/27/640840327.db2.gz OGSDQDOARTUQRK-CABCVRRESA-N 1 1 272.392 3.448 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CCCC(C)(C)C2)C1 ZINC001009199567 640956379 /nfs/dbraw/zinc/95/63/79/640956379.db2.gz FRFGUFYQZZRZDE-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cccc(Cl)c2C)C1 ZINC001014513309 640973423 /nfs/dbraw/zinc/97/34/23/640973423.db2.gz GEAVKMPRENWWRI-CYBMUJFWSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)c2cccs2)C1 ZINC001015694623 640984653 /nfs/dbraw/zinc/98/46/53/640984653.db2.gz WQBXLNCLTJVUDJ-ZIAGYGMSSA-N 1 1 292.448 3.008 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2csc(Cl)c2)C1 ZINC001015793046 640986785 /nfs/dbraw/zinc/98/67/85/640986785.db2.gz KYYMDGYOAGNINS-LBPRGKRZSA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C(C)C)oc2C)C1 ZINC001015924384 640988225 /nfs/dbraw/zinc/98/82/25/640988225.db2.gz KHDJWNMDTVRLJO-CQSZACIVSA-N 1 1 290.407 3.092 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccoc2C(C)C)C1 ZINC001016377668 640998332 /nfs/dbraw/zinc/99/83/32/640998332.db2.gz HUIVNJRPIVQFJW-AWEZNQCLSA-N 1 1 290.407 3.173 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)CC2CCC(C)(C)CC2)C1 ZINC001016433031 640999149 /nfs/dbraw/zinc/99/91/49/640999149.db2.gz NQFICQZFOULOPO-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[C@@H]1C ZINC001017576831 641013219 /nfs/dbraw/zinc/01/32/19/641013219.db2.gz DUQHFZLZFAAMEG-VVLHAWIVSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C1CCC1 ZINC001017771573 641016009 /nfs/dbraw/zinc/01/60/09/641016009.db2.gz IWODUFNBVFBIOR-IYBDPMFKSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C1CCC1 ZINC001017771573 641016012 /nfs/dbraw/zinc/01/60/12/641016012.db2.gz IWODUFNBVFBIOR-IYBDPMFKSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC(C)(C)C1 ZINC001017912762 641018774 /nfs/dbraw/zinc/01/87/74/641018774.db2.gz FQDBUHAYKNHTFU-HRCADAONSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001155353877 805575507 /nfs/dbraw/zinc/57/55/07/805575507.db2.gz VWRRDHPYAOBJTA-BZUAXINKSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1cccc2cc[nH]c21 ZINC001155383120 805576289 /nfs/dbraw/zinc/57/62/89/805576289.db2.gz LDMWULCFGDMKGG-CQSZACIVSA-N 1 1 299.418 3.184 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1cc(F)ccc1Cl ZINC001155423948 805579924 /nfs/dbraw/zinc/57/99/24/805579924.db2.gz WQDQHDCVNIVVBE-LLVKDONJSA-N 1 1 298.789 3.105 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)C[C@H](C)CC ZINC001155484457 805585771 /nfs/dbraw/zinc/58/57/71/805585771.db2.gz HJVQNUMUKFXCMW-HUUCEWRRSA-N 1 1 282.472 3.461 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)[C@](C)(CC)CCC ZINC001156036579 805645395 /nfs/dbraw/zinc/64/53/95/805645395.db2.gz WBGZGLQADKNBKZ-NVXWUHKLSA-N 1 1 280.456 3.053 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](F)CCCCCC ZINC001156403533 805684141 /nfs/dbraw/zinc/68/41/41/805684141.db2.gz HOPWQNJMGHAGAJ-CABCVRRESA-N 1 1 286.435 3.308 20 30 CGEDMO C=C[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CCC)c1ccccc1 ZINC001157058413 805772107 /nfs/dbraw/zinc/77/21/07/805772107.db2.gz WGAUMUAKWONIJM-NVXWUHKLSA-N 1 1 288.435 3.193 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)CC(C1CC1)C1CC1 ZINC001157146080 805784178 /nfs/dbraw/zinc/78/41/78/805784178.db2.gz QFQXQALUTARNPA-CQSZACIVSA-N 1 1 292.467 3.215 20 30 CGEDMO C#CCC1(C(=O)NC[C@@H](C)[N@H+](CC)CCC)CCCCC1 ZINC001157241362 805793418 /nfs/dbraw/zinc/79/34/18/805793418.db2.gz KXPQNKHYYMPXSY-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)C(C)(C)F ZINC001157427561 805810797 /nfs/dbraw/zinc/81/07/97/805810797.db2.gz FSFFYRVEYDSSEJ-CQSZACIVSA-N 1 1 284.419 3.014 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccoc1 ZINC001157528901 805827688 /nfs/dbraw/zinc/82/76/88/805827688.db2.gz IUFHXGJSSYQHJM-MRXNPFEDSA-N 1 1 290.407 3.172 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)CC ZINC001157573138 805837086 /nfs/dbraw/zinc/83/70/86/805837086.db2.gz INOLEEDCTYDEDG-GXTWGEPZSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)CC ZINC001157573138 805837095 /nfs/dbraw/zinc/83/70/95/805837095.db2.gz INOLEEDCTYDEDG-GXTWGEPZSA-N 1 1 286.847 3.098 20 30 CGEDMO COc1cc(NCCCCC#N)[nH+]c2ccccc21 ZINC001157641013 805844189 /nfs/dbraw/zinc/84/41/89/805844189.db2.gz HHXBNGZTHFZBQV-UHFFFAOYSA-N 1 1 255.321 3.349 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC=C(C)C ZINC001157661958 805847417 /nfs/dbraw/zinc/84/74/17/805847417.db2.gz QYARRMKGNRZKFK-MRXNPFEDSA-N 1 1 278.440 3.232 20 30 CGEDMO CCCCCC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)C#N ZINC001157718638 805858602 /nfs/dbraw/zinc/85/86/02/805858602.db2.gz VVBOWWVMHPPNHN-HZPDHXFCSA-N 1 1 293.455 3.039 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)/C(C)=C/C ZINC001157784347 805869774 /nfs/dbraw/zinc/86/97/74/805869774.db2.gz NRHHKNRMXGFEFM-KNDGBBJPSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)C=C(CC)CC ZINC001157796620 805871368 /nfs/dbraw/zinc/87/13/68/805871368.db2.gz LWBMLMQKTOXYHQ-MRXNPFEDSA-N 1 1 278.440 3.232 20 30 CGEDMO Cc1[nH+]c(N[C@H]2CCNc3ccccc32)ccc1CC#N ZINC001157837555 805883726 /nfs/dbraw/zinc/88/37/26/805883726.db2.gz RCLWRVCFWPPLAX-INIZCTEOSA-N 1 1 278.359 3.425 20 30 CGEDMO C[NH+](C)Cc1ccc2nc(-c3ccccc3CC#N)[nH]c2c1 ZINC001251427139 805894879 /nfs/dbraw/zinc/89/48/79/805894879.db2.gz QCDLAHPRTPNFLG-UHFFFAOYSA-N 1 1 290.370 3.358 20 30 CGEDMO CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC(C)=C(C)C ZINC001158328898 805938094 /nfs/dbraw/zinc/93/80/94/805938094.db2.gz DPEMDZXDCNBZBO-QGZVFWFLSA-N 1 1 290.451 3.069 20 30 CGEDMO C=C/C(C)=C\CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC(=C)C ZINC001158350647 805944315 /nfs/dbraw/zinc/94/43/15/805944315.db2.gz VKYIJDYGFCQPEE-LPPOOGIUSA-N 1 1 290.451 3.398 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@H](C=C)CC ZINC001158370293 805946202 /nfs/dbraw/zinc/94/62/02/805946202.db2.gz SYRMDGQALDWNPH-HZPDHXFCSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)CC(=C)C ZINC001158370187 805946769 /nfs/dbraw/zinc/94/67/69/805946769.db2.gz QUEKMSRMVLNFMC-DLBZAZTESA-N 1 1 292.467 3.478 20 30 CGEDMO C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)CC(C)(C)C ZINC001158560072 805966732 /nfs/dbraw/zinc/96/67/32/805966732.db2.gz NBWJBYFDWXZAQZ-HZPDHXFCSA-N 1 1 292.467 3.005 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+](C)[C@H]1CC[C@H](O)CC1 ZINC001252123800 806010806 /nfs/dbraw/zinc/01/08/06/806010806.db2.gz LZNCEWGNJJXIIZ-BRWVUGGUSA-N 1 1 285.472 3.333 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC001252123846 806011990 /nfs/dbraw/zinc/01/19/90/806011990.db2.gz MIOUMGHCDBMGQQ-IKGGRYGDSA-N 1 1 283.456 3.066 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@]1(C)C(=O)OC ZINC001252124394 806012300 /nfs/dbraw/zinc/01/23/00/806012300.db2.gz RBHSKVXPMIJRIA-DOTOQJQBSA-N 1 1 299.455 3.125 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCN2CCCC[C@H]2C1 ZINC001252128188 806013658 /nfs/dbraw/zinc/01/36/58/806013658.db2.gz JYKGPIIVIAPIMR-ZWKOTPCHSA-N 1 1 296.499 3.268 20 30 CGEDMO CCCCCCCC[C@@H](O)CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC001252128188 806013666 /nfs/dbraw/zinc/01/36/66/806013666.db2.gz JYKGPIIVIAPIMR-ZWKOTPCHSA-N 1 1 296.499 3.268 20 30 CGEDMO CCCCCCCC[C@@H](O)CN1CC[N@H+]2CCCC[C@H]2C1 ZINC001252128188 806013674 /nfs/dbraw/zinc/01/36/74/806013674.db2.gz JYKGPIIVIAPIMR-ZWKOTPCHSA-N 1 1 296.499 3.268 20 30 CGEDMO C#C[C@H]1CCC[N@H+](C[C@H](O)CCCCCCCC)C1 ZINC001252129811 806015696 /nfs/dbraw/zinc/01/56/96/806015696.db2.gz FCBUDIZIDAZTJD-DLBZAZTESA-N 1 1 265.441 3.443 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CC[C@@H](C(C)=O)C1 ZINC001252132248 806017073 /nfs/dbraw/zinc/01/70/73/806017073.db2.gz CSHJMORQQZLNFY-CVEARBPZSA-N 1 1 269.429 3.009 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC001252134127 806019284 /nfs/dbraw/zinc/01/92/84/806019284.db2.gz VNUKKXDGOKXBMK-CVEARBPZSA-N 1 1 266.429 3.333 20 30 CGEDMO CCCCCCCC[C@H](O)C[NH+]1CC(OC(C)C)C1 ZINC001252134610 806019445 /nfs/dbraw/zinc/01/94/45/806019445.db2.gz YMLBFNZRJQLNCW-HNNXBMFYSA-N 1 1 271.445 3.207 20 30 CGEDMO CCCCCCCC[C@H](O)C[NH2+][C@@H]1CCCN(C)CC1 ZINC001252135668 806021591 /nfs/dbraw/zinc/02/15/91/806021591.db2.gz HIVWNMYBGSCBKS-SJORKVTESA-N 1 1 284.488 3.172 20 30 CGEDMO C=C[C@](C)(O)C[N@@H+]1CCC[C@H]1c1ccc(OCC)cc1 ZINC001252555400 806064062 /nfs/dbraw/zinc/06/40/62/806064062.db2.gz UDSRDPKDQYPWJE-IRXDYDNUSA-N 1 1 275.392 3.159 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC001252560171 806065638 /nfs/dbraw/zinc/06/56/38/806065638.db2.gz OLRCAPQTEGEXSD-WBVHZDCISA-N 1 1 285.391 3.027 20 30 CGEDMO C=CCCC(=O)NCCC1=CC[N@@H+](CC/C=C\CC)CC1 ZINC001159544391 806119840 /nfs/dbraw/zinc/11/98/40/806119840.db2.gz OQZDOJHVPPJUPD-ALCCZGGFSA-N 1 1 290.451 3.447 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)/C=C/C(C)(C)C)CC1 ZINC001159593226 806127669 /nfs/dbraw/zinc/12/76/69/806127669.db2.gz CJLZYWJWZMAAEC-UXBLZVDNSA-N 1 1 290.451 3.303 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)CCC2CC2)CC1 ZINC001159646580 806141383 /nfs/dbraw/zinc/14/13/83/806141383.db2.gz GWTDCEWEMLGAPO-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO CCCCCCCCCC[C@@H](O)CN1CC2(C1)C[NH+](C)C2 ZINC001252983730 806146425 /nfs/dbraw/zinc/14/64/25/806146425.db2.gz YVDQTASPKNQLJD-QGZVFWFLSA-N 1 1 296.499 3.126 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[NH2+]Cc1nnc(C)o1 ZINC001252989902 806150121 /nfs/dbraw/zinc/15/01/21/806150121.db2.gz UCRSAKHBNAVZOI-HNNXBMFYSA-N 1 1 297.443 3.359 20 30 CGEDMO Cc1ccc(CC#N)c(NCC(F)(F)c2ccccn2)[nH+]1 ZINC001159794345 806174212 /nfs/dbraw/zinc/17/42/12/806174212.db2.gz NZXFVLDDPSMSSO-UHFFFAOYSA-N 1 1 288.301 3.055 20 30 CGEDMO C=CCCCCCC[C@@H](O)CNc1[nH+]cnc2[nH]ccc21 ZINC001253232459 806186918 /nfs/dbraw/zinc/18/69/18/806186918.db2.gz OFIJDAYARDSGGY-CYBMUJFWSA-N 1 1 288.395 3.257 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCC[C@@H]1CF ZINC001253242197 806192065 /nfs/dbraw/zinc/19/20/65/806192065.db2.gz IGRKJALBXVCCEU-CABCVRRESA-N 1 1 257.393 3.308 20 30 CGEDMO C=CCCCCCC[C@H](O)C[NH2+]C1CCN(C(C)C)CC1 ZINC001253248264 806195358 /nfs/dbraw/zinc/19/53/58/806195358.db2.gz SUPBOFHAGPRSLA-SFHVURJKSA-N 1 1 296.499 3.336 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)NCCC1=CC[N@@H+](C(C)C)CC1 ZINC001160242059 806239280 /nfs/dbraw/zinc/23/92/80/806239280.db2.gz CFTOXYJDRLRGGW-UHFFFAOYSA-N 1 1 298.858 3.312 20 30 CGEDMO C#CC[N@H+](Cc1cc(C)nc2ccccc12)CC1CC1 ZINC001253562661 806259973 /nfs/dbraw/zinc/25/99/73/806259973.db2.gz AMFQODLGWMVCKT-UHFFFAOYSA-N 1 1 264.372 3.388 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H](F)C(C)C)CC1 ZINC001160946996 806327121 /nfs/dbraw/zinc/32/71/21/806327121.db2.gz WSJLHLCOIPJJIS-INIZCTEOSA-N 1 1 296.430 3.085 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1ncc2cc(C)ccc2n1 ZINC001160954066 806328643 /nfs/dbraw/zinc/32/86/43/806328643.db2.gz PKSRXBNVBBRNJT-HNNXBMFYSA-N 1 1 282.391 3.001 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1nc(Cl)cc(C2CC2)n1 ZINC001160953711 806328996 /nfs/dbraw/zinc/32/89/96/806328996.db2.gz HPCQDHCYUBBVNC-LBPRGKRZSA-N 1 1 292.814 3.070 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NCCC1=CC[N@@H+](C(C)C)CC1 ZINC001160990951 806332545 /nfs/dbraw/zinc/33/25/45/806332545.db2.gz JDXMTJGMBMAUKC-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C[C@H](CC)CC(=O)NCCC1=CC[N@@H+](CCCF)CC1 ZINC001160992771 806333808 /nfs/dbraw/zinc/33/38/08/806333808.db2.gz ZXEDDAFEIBPTRX-OAHLLOKOSA-N 1 1 296.430 3.087 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@H](C)C2)CC1 ZINC001161035818 806340531 /nfs/dbraw/zinc/34/05/31/806340531.db2.gz BKORYASAHBZQNS-RDJZCZTQSA-N 1 1 290.451 3.137 20 30 CGEDMO CC[C@H](CC#N)[NH2+]C(C)(C)c1ccnc(Cl)c1 ZINC001161055448 806342978 /nfs/dbraw/zinc/34/29/78/806342978.db2.gz JSWHWXVQAYXIOU-LLVKDONJSA-N 1 1 251.761 3.252 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC[C@@H]2CC)CC1 ZINC001161125790 806350406 /nfs/dbraw/zinc/35/04/06/806350406.db2.gz AUQOGMHYJDOHQW-IRXDYDNUSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCCC1=CC[N@H+](C(C)C)CC1 ZINC001161121255 806350633 /nfs/dbraw/zinc/35/06/33/806350633.db2.gz FCAFXODDKHAUGM-KRWDZBQOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H]2CC)CC1 ZINC001161125788 806351157 /nfs/dbraw/zinc/35/11/57/806351157.db2.gz AUQOGMHYJDOHQW-DLBZAZTESA-N 1 1 290.451 3.137 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCCC1=CC[N@@H+](CC(C)C)CC1 ZINC001161121181 806351450 /nfs/dbraw/zinc/35/14/50/806351450.db2.gz AQHPJAPIJVWCPI-GOSISDBHSA-N 1 1 292.467 3.383 20 30 CGEDMO N#CC1(C[N@H+]2CCC[C@@H]2COc2ccc(Cl)cc2)CC1 ZINC001254178660 806360047 /nfs/dbraw/zinc/36/00/47/806360047.db2.gz XWUWDRPTNMKTGT-CQSZACIVSA-N 1 1 290.794 3.487 20 30 CGEDMO N#CC1(C[N@@H+]2CCC[C@@H]2COc2ccc(Cl)cc2)CC1 ZINC001254178660 806360054 /nfs/dbraw/zinc/36/00/54/806360054.db2.gz XWUWDRPTNMKTGT-CQSZACIVSA-N 1 1 290.794 3.487 20 30 CGEDMO CC(=O)C[N@H+](C)C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254352752 806382289 /nfs/dbraw/zinc/38/22/89/806382289.db2.gz CVUMZWQBWZFKDT-UHFFFAOYSA-N 1 1 288.366 3.050 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H](C)[C@H](C)CC)CC1 ZINC001161573613 806394768 /nfs/dbraw/zinc/39/47/68/806394768.db2.gz KYOSRISQZIDTPD-HZPDHXFCSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CC[C@H]([NH2+][C@@H](CCC)CCc1ccccc1)C(=O)OC ZINC001254487299 806414274 /nfs/dbraw/zinc/41/42/74/806414274.db2.gz NZSPJWLAPQHGRG-IRXDYDNUSA-N 1 1 289.419 3.495 20 30 CGEDMO COc1ccc(-c2nc(C[NH2+][C@H]3CC[C@@H](C#N)C3)co2)cc1 ZINC001254650328 806474021 /nfs/dbraw/zinc/47/40/21/806474021.db2.gz UUZCPFMTIVFNHX-OCCSQVGLSA-N 1 1 297.358 3.132 20 30 CGEDMO C[N@@H+](CC/C=C/c1cccnc1)[C@@H]1CC[C@H](C#N)C1 ZINC001254674407 806482990 /nfs/dbraw/zinc/48/29/90/806482990.db2.gz YPFQXTJKJVXQQO-ILUPXTIESA-N 1 1 255.365 3.109 20 30 CGEDMO COc1ccc(C2=CC[N@H+]([C@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC001254676988 806484361 /nfs/dbraw/zinc/48/43/61/806484361.db2.gz PJRWRSBVWMNTPK-PBHICJAKSA-N 1 1 282.387 3.477 20 30 CGEDMO COC(=O)c1ccc([C@@H]2CCC[N@H+]2[C@H]2CC[C@H](C#N)C2)cc1 ZINC001254678521 806484723 /nfs/dbraw/zinc/48/47/23/806484723.db2.gz FHIXPCYRWSPTFT-JQFCIGGWSA-N 1 1 298.386 3.302 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)C[C@@H](C)C2CC2)CC1 ZINC001161958787 806491503 /nfs/dbraw/zinc/49/15/03/806491503.db2.gz BDJDTLWZLNPTPP-OAHLLOKOSA-N 1 1 290.451 3.137 20 30 CGEDMO SCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001255130307 806549875 /nfs/dbraw/zinc/54/98/75/806549875.db2.gz SOEYSCWKDRFRQX-BJWYYQGGSA-N 1 1 290.476 3.092 20 30 CGEDMO CC[C@H](CC#N)[N@H+]1C[C@H]2CCC[C@@]2(COc2ccccn2)C1 ZINC001255169036 806564897 /nfs/dbraw/zinc/56/48/97/806564897.db2.gz ZYUJOTNQZLATKO-NUJGCVRESA-N 1 1 299.418 3.255 20 30 CGEDMO CC[C@@H](CC#N)[N@H+](C[C@H](O)c1ccccc1OC)C(C)C ZINC001255173543 806566183 /nfs/dbraw/zinc/56/61/83/806566183.db2.gz BRIWSCQOTQFUFQ-HOCLYGCPSA-N 1 1 290.407 3.131 20 30 CGEDMO CC[C@@H](CC#N)[N@@H+](C[C@H](O)c1ccccc1OC)C(C)C ZINC001255173543 806566191 /nfs/dbraw/zinc/56/61/91/806566191.db2.gz BRIWSCQOTQFUFQ-HOCLYGCPSA-N 1 1 290.407 3.131 20 30 CGEDMO CC[C@@H](CC#N)[N@H+](CC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001255173693 806567140 /nfs/dbraw/zinc/56/71/40/806567140.db2.gz DBFALKTXSYGITE-UONOGXRCSA-N 1 1 295.427 3.010 20 30 CGEDMO CC[C@@H](CC#N)[N@@H+](CC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001255173693 806567144 /nfs/dbraw/zinc/56/71/44/806567144.db2.gz DBFALKTXSYGITE-UONOGXRCSA-N 1 1 295.427 3.010 20 30 CGEDMO CC[C@H](CC#N)[N@H+]1CC=C(c2ccc(OC)cc2)CC1 ZINC001255179787 806571649 /nfs/dbraw/zinc/57/16/49/806571649.db2.gz RXCMRQQQHYEBBS-MRXNPFEDSA-N 1 1 270.376 3.477 20 30 CGEDMO CC[C@H](CC#N)[N@@H+]1CC=C(c2ccc(OC)cc2)CC1 ZINC001255179787 806571652 /nfs/dbraw/zinc/57/16/52/806571652.db2.gz RXCMRQQQHYEBBS-MRXNPFEDSA-N 1 1 270.376 3.477 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@H+]([C@@H](C)CCCC)C2)C1=O ZINC001255325817 806613286 /nfs/dbraw/zinc/61/32/86/806613286.db2.gz MBARKWRSVTYHMQ-RDJZCZTQSA-N 1 1 278.440 3.066 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+][C@@H]1CCCN(Cc2ccccc2)CC1 ZINC001255393806 806633042 /nfs/dbraw/zinc/63/30/42/806633042.db2.gz RKDJKZWTBUNUFK-MOPGFXCFSA-N 1 1 284.447 3.433 20 30 CGEDMO CCN(CCC#N)[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255402399 806632260 /nfs/dbraw/zinc/63/22/60/806632260.db2.gz HWPLKAASSPZDDL-SFHVURJKSA-N 1 1 285.435 3.277 20 30 CGEDMO C=C[C@@H](COC)[NH2+][C@@H](C)c1ccccc1Br ZINC000309597016 799219082 /nfs/dbraw/zinc/21/90/82/799219082.db2.gz WLBWMRJUCVVUAB-QWRGUYRKSA-N 1 1 284.197 3.301 20 30 CGEDMO C=CCCCCC[N@@H+]1CCNC[C@@H]1c1ccccc1 ZINC000313372463 799232191 /nfs/dbraw/zinc/23/21/91/799232191.db2.gz VTLVYVMZZWUXFZ-QGZVFWFLSA-N 1 1 258.409 3.379 20 30 CGEDMO C=CCCCCC[N@H+]1CCNC[C@@H]1c1ccccc1 ZINC000313372463 799232196 /nfs/dbraw/zinc/23/21/96/799232196.db2.gz VTLVYVMZZWUXFZ-QGZVFWFLSA-N 1 1 258.409 3.379 20 30 CGEDMO C#C[C@H](Nc1[nH+]cnc2[nH]cc(CC)c21)c1ccc(F)cc1 ZINC001163364895 806749340 /nfs/dbraw/zinc/74/93/40/806749340.db2.gz ZEKGLVGYJCYJCO-AWEZNQCLSA-N 1 1 294.333 3.446 20 30 CGEDMO CC[C@@H]1CCCCC[N@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC000402209694 799561485 /nfs/dbraw/zinc/56/14/85/799561485.db2.gz LZWGIFSTJZTDSW-SJORKVTESA-N 1 1 272.392 3.246 20 30 CGEDMO N#CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000425959988 799603558 /nfs/dbraw/zinc/60/35/58/799603558.db2.gz MQMSVMQZFDQBPT-UHFFFAOYSA-N 1 1 287.344 3.327 20 30 CGEDMO C#CCCCCC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000686673002 799735446 /nfs/dbraw/zinc/73/54/46/799735446.db2.gz RFFGVGLXQRIXRR-ZACQAIPSSA-N 1 1 263.425 3.196 20 30 CGEDMO C#CCCCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000686672996 799736085 /nfs/dbraw/zinc/73/60/85/799736085.db2.gz RFFGVGLXQRIXRR-GVDBMIGSSA-N 1 1 263.425 3.196 20 30 CGEDMO CCC[N@H+]1CC[C@H](CNc2ccc(C#N)cc2C)C1 ZINC000692989875 799806028 /nfs/dbraw/zinc/80/60/28/799806028.db2.gz YZTMZTLKKYNPKS-OAHLLOKOSA-N 1 1 257.381 3.011 20 30 CGEDMO CC[NH+](CC)CC[C@H](C)N[C@@H]1CCc2c1cccc2C#N ZINC001255948856 806794210 /nfs/dbraw/zinc/79/42/10/806794210.db2.gz QPNPTHCYWGQPCB-KBXCAEBGSA-N 1 1 285.435 3.256 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)C[C@@H]1CC(C)(C)OC1(C)C ZINC000711278353 800051030 /nfs/dbraw/zinc/05/10/30/800051030.db2.gz IKJSPVUVCOFYGT-AWEZNQCLSA-N 1 1 266.429 3.452 20 30 CGEDMO Cc1nc(C[NH2+]Cc2ccc(C)c(C#N)c2)sc1C ZINC000719550651 800242530 /nfs/dbraw/zinc/24/25/30/800242530.db2.gz RYIDSCHMJMLWFU-UHFFFAOYSA-N 1 1 271.389 3.230 20 30 CGEDMO CC(C)[N@@H+](Cc1ccccc1)Cc1cncc(C#N)c1 ZINC000721571831 800294362 /nfs/dbraw/zinc/29/43/62/800294362.db2.gz KRSPXHHYVWXYAS-UHFFFAOYSA-N 1 1 265.360 3.364 20 30 CGEDMO CC(C)(C)C[C@@H]1CC[N@@H+](Cc2cncc(C#N)c2)C1 ZINC000721616449 800297078 /nfs/dbraw/zinc/29/70/78/800297078.db2.gz YRJSMVVNBAPISN-ZDUSSCGKSA-N 1 1 257.381 3.211 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)CC(=O)Nc2ccc(C)cc2)cc1 ZINC000809538664 800443180 /nfs/dbraw/zinc/44/31/80/800443180.db2.gz QESKWAYXGMFRLO-UHFFFAOYSA-N 1 1 292.382 3.047 20 30 CGEDMO C#Cc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(C)cc2)cc1 ZINC000809538664 800443182 /nfs/dbraw/zinc/44/31/82/800443182.db2.gz QESKWAYXGMFRLO-UHFFFAOYSA-N 1 1 292.382 3.047 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)Cc2cccc(OC)c2)cc1 ZINC000809538929 800443243 /nfs/dbraw/zinc/44/32/43/800443243.db2.gz WLRLYDRIXZFMRG-UHFFFAOYSA-N 1 1 265.356 3.309 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cccn2C)cc1 ZINC000809540087 800443700 /nfs/dbraw/zinc/44/37/00/800443700.db2.gz JYFBGJIEPYPTJN-GOSISDBHSA-N 1 1 264.372 3.344 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886829849 800547351 /nfs/dbraw/zinc/54/73/51/800547351.db2.gz IASKEFDLQDLIHK-COXVUDFISA-N 1 1 270.376 3.120 20 30 CGEDMO C#CCC[N@H+](Cc1nc2ccccc2s1)C1CC1 ZINC000932397514 800664471 /nfs/dbraw/zinc/66/44/71/800664471.db2.gz VVZHQJHYESCGAJ-UHFFFAOYSA-N 1 1 256.374 3.284 20 30 CGEDMO C#CCC[N@@H+](Cc1nc2ccccc2s1)C1CC1 ZINC000932397514 800664474 /nfs/dbraw/zinc/66/44/74/800664474.db2.gz VVZHQJHYESCGAJ-UHFFFAOYSA-N 1 1 256.374 3.284 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1CC/C=C\c1cncc(OC)c1 ZINC000934458959 800677845 /nfs/dbraw/zinc/67/78/45/800677845.db2.gz GPAGVAWEBLCESC-IJVDHGTGSA-N 1 1 258.365 3.144 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1CCc1nsc2ccccc21 ZINC000934459820 800678994 /nfs/dbraw/zinc/67/89/94/800678994.db2.gz MBWBFLPVIQRBAL-GFCCVEGCSA-N 1 1 258.390 3.489 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)cc(C)c2)[C@H]1C ZINC000994298178 800695501 /nfs/dbraw/zinc/69/55/01/800695501.db2.gz QNQMDYJILRPPDK-NVXWUHKLSA-N 1 1 286.419 3.072 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)C2CCCCC2)C1 ZINC001023205594 800707314 /nfs/dbraw/zinc/70/73/14/800707314.db2.gz WJWDUWUFFBSLIR-AWEZNQCLSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)C2CCCCC2)C1 ZINC001023205594 800707317 /nfs/dbraw/zinc/70/73/17/800707317.db2.gz WJWDUWUFFBSLIR-AWEZNQCLSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccsc2C)C1 ZINC001023352810 800709409 /nfs/dbraw/zinc/70/94/09/800709409.db2.gz VCDQINDOYNGQNS-CQSZACIVSA-N 1 1 292.448 3.074 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](CNC(=O)C2=CCCCCC2)C1 ZINC001023330254 800709630 /nfs/dbraw/zinc/70/96/30/800709630.db2.gz DXUIUGQHQCBJLK-MRXNPFEDSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(Cl)cs2)C1 ZINC001023628591 800713204 /nfs/dbraw/zinc/71/32/04/800713204.db2.gz CYDRDONQJUICIC-LLVKDONJSA-N 1 1 298.839 3.029 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001023769289 800714690 /nfs/dbraw/zinc/71/46/90/800714690.db2.gz YSRPHFRZWQIYTO-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc(C)c(C)o1 ZINC001024388824 800726982 /nfs/dbraw/zinc/72/69/82/800726982.db2.gz QCCVRGOMNVPOTN-HNNXBMFYSA-N 1 1 290.407 3.057 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)C1CC(C)(C)C1 ZINC001024427571 800728264 /nfs/dbraw/zinc/72/82/64/800728264.db2.gz LKFQZAZCWZIGLH-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1csc(C)c1 ZINC001024706041 800736007 /nfs/dbraw/zinc/73/60/07/800736007.db2.gz REKLSJWGXJUMHR-HNNXBMFYSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C1CCC=CCC1 ZINC001024804857 800736749 /nfs/dbraw/zinc/73/67/49/800736749.db2.gz JHGOKGCLZYVPQT-QGZVFWFLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(CC)cc1 ZINC001024786941 800737579 /nfs/dbraw/zinc/73/75/79/800737579.db2.gz VMVIXDJLHLEJGL-KRWDZBQOSA-N 1 1 286.419 3.019 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(F)s1 ZINC001024824736 800737616 /nfs/dbraw/zinc/73/76/16/800737616.db2.gz VHKDPIPQNKNCOY-GFCCVEGCSA-N 1 1 296.411 3.048 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)ccc1C ZINC001024780335 800737627 /nfs/dbraw/zinc/73/76/27/800737627.db2.gz RUCKDQDBEUCUBP-MRXNPFEDSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(Cl)s1 ZINC001024788677 800737836 /nfs/dbraw/zinc/73/78/36/800737836.db2.gz MZMHCBBNSGUWOF-LLVKDONJSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(Cl)s1 ZINC001024788677 800737839 /nfs/dbraw/zinc/73/78/39/800737839.db2.gz MZMHCBBNSGUWOF-LLVKDONJSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCCC1(C)C ZINC001024817747 800737992 /nfs/dbraw/zinc/73/79/92/800737992.db2.gz GMPLRXMPWUBOGS-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1CCCC1 ZINC001025193101 800746988 /nfs/dbraw/zinc/74/69/88/800746988.db2.gz RVOWRZABDXVXSD-DLBZAZTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(CC)CC ZINC001025199643 800748077 /nfs/dbraw/zinc/74/80/77/800748077.db2.gz YALLGPYTTHYPSY-IRXDYDNUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1(C)CCC1 ZINC001025260620 800751194 /nfs/dbraw/zinc/75/11/94/800751194.db2.gz YPHCMBVXEXUCJU-HOTGVXAUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1(C)CC1 ZINC001025236384 800751605 /nfs/dbraw/zinc/75/16/05/800751605.db2.gz UDSBJRWDHPYLSL-CVEARBPZSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCCC[C@@H]1[C@H]1CCC[N@H+]1CCF ZINC001025259046 800751858 /nfs/dbraw/zinc/75/18/58/800751858.db2.gz NBHZSYUGVXVLGO-HUUCEWRRSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C1(CC)CC1 ZINC001025266034 800752390 /nfs/dbraw/zinc/75/23/90/800752390.db2.gz ILWMIBMIEZSEAX-JKSUJKDBSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2=CCCCCC2)C1 ZINC001025388520 800761055 /nfs/dbraw/zinc/76/10/55/800761055.db2.gz ICQNJHGHJWUPGA-RDJZCZTQSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2=CCCCCC2)C1 ZINC001025388519 800761150 /nfs/dbraw/zinc/76/11/50/800761150.db2.gz ICQNJHGHJWUPGA-NVXWUHKLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2csc(C)c2)C1 ZINC001025562915 800763439 /nfs/dbraw/zinc/76/34/39/800763439.db2.gz WEAQJIUODHFTNW-ZIAGYGMSSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001025603968 800764473 /nfs/dbraw/zinc/76/44/73/800764473.db2.gz ZTRPHIYPAZHEIB-LUKYLMHMSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)CC2CCCCC2)C1 ZINC001027288512 800789780 /nfs/dbraw/zinc/78/97/80/800789780.db2.gz YPOXBBIVBMDOTN-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)CC2=CCCCC2)C1 ZINC001027330661 800791943 /nfs/dbraw/zinc/79/19/43/800791943.db2.gz ADPQJSLSZYBJOH-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)C(C)C)C1 ZINC001027423653 800794788 /nfs/dbraw/zinc/79/47/88/800794788.db2.gz GKPRMOGCGBPJOW-OAHLLOKOSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2cc(C)sc2C)C1 ZINC001027481520 800798060 /nfs/dbraw/zinc/79/80/60/800798060.db2.gz LRUARGZZZBCSSB-AWEZNQCLSA-N 1 1 292.448 3.087 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)C(=C)C)C1 ZINC001027519332 800800194 /nfs/dbraw/zinc/80/01/94/800800194.db2.gz KHPRJEKJSDBHCV-OAHLLOKOSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)C2(C)CC=CC2)C1 ZINC001027557244 800803320 /nfs/dbraw/zinc/80/33/20/800803320.db2.gz MCHFDIBMIYJRNC-AWEZNQCLSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)C2(C)CC=CC2)C1 ZINC001027557244 800803324 /nfs/dbraw/zinc/80/33/24/800803324.db2.gz MCHFDIBMIYJRNC-AWEZNQCLSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C2CCC(F)CC2)C1 ZINC001027560362 800803594 /nfs/dbraw/zinc/80/35/94/800803594.db2.gz XHHPUQUHPNKXEU-GPANFISMSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(C=C)cc2)C1 ZINC001027590547 800806287 /nfs/dbraw/zinc/80/62/87/800806287.db2.gz AVZUNRXUGAIULC-QGZVFWFLSA-N 1 1 284.403 3.052 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccccc2Cl)C1 ZINC001027659148 800808784 /nfs/dbraw/zinc/80/87/84/800808784.db2.gz DLNNREOQTQRLOG-ZDUSSCGKSA-N 1 1 292.810 3.062 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)CCC2CCCCC2)C1 ZINC001027669868 800811525 /nfs/dbraw/zinc/81/15/25/800811525.db2.gz QJPWHLHCHWXZIC-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1CCC ZINC001028018197 800828111 /nfs/dbraw/zinc/82/81/11/800828111.db2.gz OXUYOQUOKGBECG-MRXNPFEDSA-N 1 1 286.419 3.019 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H]2CCC[N@H+]2C/C=C/Cl)CC1 ZINC001028116038 800832522 /nfs/dbraw/zinc/83/25/22/800832522.db2.gz BIDNLZGEBRFRDC-RUFWOKOUSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2C/C=C/Cl)CC1 ZINC001028116038 800832526 /nfs/dbraw/zinc/83/25/26/800832526.db2.gz BIDNLZGEBRFRDC-RUFWOKOUSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(CC)cc1 ZINC001028296196 800840828 /nfs/dbraw/zinc/84/08/28/800840828.db2.gz PXVSERHPOQIVNJ-KRWDZBQOSA-N 1 1 286.419 3.019 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC(C)(C)C1 ZINC001028340196 800843268 /nfs/dbraw/zinc/84/32/68/800843268.db2.gz LIKGXMDOVOLFFF-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(C)s2)C1 ZINC001028378005 800847305 /nfs/dbraw/zinc/84/73/05/800847305.db2.gz MCGLOIMBAUUNMF-AWEZNQCLSA-N 1 1 292.448 3.074 20 30 CGEDMO C=CC[N@H+]1CC[C@H](CNC(=O)c2ccc3ccccc3c2)C1 ZINC001028946479 800855854 /nfs/dbraw/zinc/85/58/54/800855854.db2.gz IFHFZLZTFJIBCD-OAHLLOKOSA-N 1 1 294.398 3.078 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Cl)s2)C1 ZINC001028968669 800856866 /nfs/dbraw/zinc/85/68/66/800856866.db2.gz XKBLXROWIDMYOU-NSHDSACASA-N 1 1 298.839 3.029 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H](C)F ZINC001029419610 800867995 /nfs/dbraw/zinc/86/79/95/800867995.db2.gz HOXHYWUFHZIICY-KFWWJZLASA-N 1 1 296.430 3.012 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)c2cccc(Cl)c2C)C1 ZINC001030352074 800890181 /nfs/dbraw/zinc/89/01/81/800890181.db2.gz BGVLWZHMWNAGSQ-UHFFFAOYSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)[C@]2(C)CCC(C)=C(C)C2)C1 ZINC001031460749 800912178 /nfs/dbraw/zinc/91/21/78/800912178.db2.gz YDOGWGDRDMBFIH-GOSISDBHSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC001032558196 800929656 /nfs/dbraw/zinc/92/96/56/800929656.db2.gz JXRINBDYAFTVQU-IRXDYDNUSA-N 1 1 298.430 3.074 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC001032558196 800929662 /nfs/dbraw/zinc/92/96/62/800929662.db2.gz JXRINBDYAFTVQU-IRXDYDNUSA-N 1 1 298.430 3.074 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC(C)(C)C1 ZINC001032612826 800933126 /nfs/dbraw/zinc/93/31/26/800933126.db2.gz CMRMCBHGLNWMJV-JYJNAYRXSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCCC(C)(C)C1 ZINC001032733497 800934823 /nfs/dbraw/zinc/93/48/23/800934823.db2.gz XCWSXUJTSJYSOT-JYJNAYRXSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCCC(C)(C)C1 ZINC001032733497 800934826 /nfs/dbraw/zinc/93/48/26/800934826.db2.gz XCWSXUJTSJYSOT-JYJNAYRXSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)C2CCCCCC2)C1 ZINC001032949206 800946551 /nfs/dbraw/zinc/94/65/51/800946551.db2.gz YBYMBMAFNMKQQD-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)CC2CCCCCC2)C1 ZINC001033458374 800965802 /nfs/dbraw/zinc/96/58/02/800965802.db2.gz PXUYHMIQGIYWRG-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccsc2Cl)C1 ZINC001033474945 800966508 /nfs/dbraw/zinc/96/65/08/800966508.db2.gz LNBYCLWCFPFKMQ-NSHDSACASA-N 1 1 298.839 3.124 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccoc2C(C)C)C1 ZINC001033703626 800976256 /nfs/dbraw/zinc/97/62/56/800976256.db2.gz CKCITSLEXCFOSO-AWEZNQCLSA-N 1 1 290.407 3.125 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001033706846 800976516 /nfs/dbraw/zinc/97/65/16/800976516.db2.gz JCLDCKMQDNSZHX-AWEZNQCLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2coc3ccccc23)C1 ZINC001033712255 800976799 /nfs/dbraw/zinc/97/67/99/800976799.db2.gz YZRMSHQABKRJJM-AWEZNQCLSA-N 1 1 298.386 3.155 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccoc2C)C1 ZINC001033742301 800980135 /nfs/dbraw/zinc/98/01/35/800980135.db2.gz IZSMOOYOJVIPOV-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cscc2C)C1 ZINC001033786798 800982165 /nfs/dbraw/zinc/98/21/65/800982165.db2.gz YZKGTKPDCZZVDA-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2oc(C)cc2C)C1 ZINC001033785058 800982304 /nfs/dbraw/zinc/98/23/04/800982304.db2.gz HBKGIRBRRYUSDO-OAHLLOKOSA-N 1 1 290.407 3.009 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(C)c(C)o2)C1 ZINC001033793001 800983486 /nfs/dbraw/zinc/98/34/86/800983486.db2.gz SYHVJFRQHFJXNM-HNNXBMFYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(C)c(C)o2)C1 ZINC001033793002 800984168 /nfs/dbraw/zinc/98/41/68/800984168.db2.gz SYHVJFRQHFJXNM-OAHLLOKOSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2sccc2CC)C1 ZINC001034048236 800997230 /nfs/dbraw/zinc/99/72/30/800997230.db2.gz NJPJTEJFLZJBIU-CQSZACIVSA-N 1 1 292.448 3.033 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@@H](NC(=O)C=C2CCCCC2)C1 ZINC001034127174 801005586 /nfs/dbraw/zinc/00/55/86/801005586.db2.gz IDXBUDJECKAFJE-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2cc(C)sc2C)C1 ZINC001034302534 801015948 /nfs/dbraw/zinc/01/59/48/801015948.db2.gz RLLXVDAXBOZGKG-AWEZNQCLSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)C2(C)CCCC2)C1 ZINC001034332486 801017767 /nfs/dbraw/zinc/01/77/67/801017767.db2.gz IKHBTHVEEQNJEE-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)c2occc2CC)C1 ZINC001034386223 801023752 /nfs/dbraw/zinc/02/37/52/801023752.db2.gz XLOWHPSAMWDLBM-OAHLLOKOSA-N 1 1 290.407 3.002 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2cccc(C)c2C)C1 ZINC001034517510 801030775 /nfs/dbraw/zinc/03/07/75/801030775.db2.gz ZSOKUDSVRLUGQB-INIZCTEOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@H+]1CCCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001034512530 801030834 /nfs/dbraw/zinc/03/08/34/801030834.db2.gz NDKVLYYLMQGCMY-HNNXBMFYSA-N 1 1 298.386 3.203 20 30 CGEDMO C=CC[N@H+]1CCC2(C1)CCN(C(=O)CCC1CCC1)CC2 ZINC001035175306 801053625 /nfs/dbraw/zinc/05/36/25/801053625.db2.gz UXQVQYIAEJHEFO-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2CN(C(=O)C3CCCCCC3)CC[C@H]21 ZINC001036665568 801086876 /nfs/dbraw/zinc/08/68/76/801086876.db2.gz VVIXYOKZTGVNNZ-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C3(C)CCCC3)CC[C@H]21 ZINC001036782289 801089514 /nfs/dbraw/zinc/08/95/14/801089514.db2.gz HQVSOWQIOKUGAF-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C3(CC)CCC3)CC[C@@H]21 ZINC001036794867 801091269 /nfs/dbraw/zinc/09/12/69/801091269.db2.gz CTDUFBBQUBGFMU-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C3(C)CCC3)CC[C@H]21 ZINC001036792609 801091293 /nfs/dbraw/zinc/09/12/93/801091293.db2.gz RSMWPUYNWFKAFX-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C(CC)(CC)CC)CC[C@@H]21 ZINC001036856507 801093310 /nfs/dbraw/zinc/09/33/10/801093310.db2.gz SIULJUKWCVNLHQ-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C)cc3)CC[C@@H]21 ZINC001036878359 801093769 /nfs/dbraw/zinc/09/37/69/801093769.db2.gz VQCMZDGQITVTTG-MSOLQXFVSA-N 1 1 298.430 3.108 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(CC)CC)CC[C@H]21 ZINC001036900133 801094577 /nfs/dbraw/zinc/09/45/77/801094577.db2.gz YIYPWHJNKFAENX-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001038287288 801123436 /nfs/dbraw/zinc/12/34/36/801123436.db2.gz KOZMESYZENUMOP-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1CCC ZINC001038499875 801127042 /nfs/dbraw/zinc/12/70/42/801127042.db2.gz BIEQOBIAYSUYTP-INIZCTEOSA-N 1 1 286.419 3.019 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C2CC2)s1 ZINC001038914343 801136972 /nfs/dbraw/zinc/13/69/72/801136972.db2.gz QAIQYNXTPAKCMP-CYBMUJFWSA-N 1 1 290.432 3.006 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](C)CC)CC2)C1 ZINC001039105340 801147338 /nfs/dbraw/zinc/14/73/38/801147338.db2.gz WBMYGSINJWQZMC-WBVHZDCISA-N 1 1 292.467 3.169 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC([C@H]2CC[N@H+](CC)C2)CC1 ZINC001039153712 801151099 /nfs/dbraw/zinc/15/10/99/801151099.db2.gz FYQJOSGIYZZPSK-FUHWJXTLSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCC2CC2)C1 ZINC001039195793 801152884 /nfs/dbraw/zinc/15/28/84/801152884.db2.gz NEAMQJKGVLPIPC-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C)c1 ZINC001039326499 801158022 /nfs/dbraw/zinc/15/80/22/801158022.db2.gz BBUJAYQIZFTKPD-MSOLQXFVSA-N 1 1 298.430 3.250 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC(C)(C)C1CC1 ZINC001039372150 801159924 /nfs/dbraw/zinc/15/99/24/801159924.db2.gz NJEYSGQAPXYNGW-CVEARBPZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)ccc1C ZINC001039464393 801162992 /nfs/dbraw/zinc/16/29/92/801162992.db2.gz HVUCEUNPPCARCT-SJORKVTESA-N 1 1 298.430 3.168 20 30 CGEDMO C=C1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3C(C)C)CC1 ZINC001039887930 801167782 /nfs/dbraw/zinc/16/77/82/801167782.db2.gz LULJKPVQQZQOIQ-CALCHBBNSA-N 1 1 290.451 3.207 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@]2(CCN(C(=O)CCC3CC3)C2)C1 ZINC001040123169 801172734 /nfs/dbraw/zinc/17/27/34/801172734.db2.gz IVZPFTCIXHLLJX-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C)C(C)C)C2)C1 ZINC001041719635 801193233 /nfs/dbraw/zinc/19/32/33/801193233.db2.gz FUZSKFORRRFVRO-SJLPKXTDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)CC3CCCC3)C[C@H]21 ZINC001041915400 801196645 /nfs/dbraw/zinc/19/66/45/801196645.db2.gz HCHJRUSWACACRI-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(C)cc(C)c3)C[C@H]21 ZINC001042336747 801204762 /nfs/dbraw/zinc/20/47/62/801204762.db2.gz ZJLXYIJRVSVKHX-SJLPKXTDSA-N 1 1 298.430 3.026 20 30 CGEDMO C=CCC[NH+]1CC(N(C)C(=O)c2sccc2C(C)C)C1 ZINC001044329586 801234355 /nfs/dbraw/zinc/23/43/55/801234355.db2.gz IECAKFIBSWHLIG-UHFFFAOYSA-N 1 1 292.448 3.204 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@H]2C[C@]2(C)CC)CC1 ZINC001045606941 801282264 /nfs/dbraw/zinc/28/22/64/801282264.db2.gz ONKPKOACZBXGAA-HIFRSBDPSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001045827003 801287913 /nfs/dbraw/zinc/28/79/13/801287913.db2.gz GDVMXGIBCJWXOR-CVEARBPZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)c2cccc(C)c2)C1 ZINC001046116004 801300510 /nfs/dbraw/zinc/30/05/10/801300510.db2.gz OZWSSGUIMKNDEV-SFHVURJKSA-N 1 1 286.419 3.155 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)c2ccoc2Cl)C1 ZINC001046273767 801305181 /nfs/dbraw/zinc/30/51/81/801305181.db2.gz YJQFGOGLUGEYIT-OAHLLOKOSA-N 1 1 296.798 3.093 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCC23CC3)C1 ZINC001046420859 801312875 /nfs/dbraw/zinc/31/28/75/801312875.db2.gz LYWCAJIFCKASRC-NVXWUHKLSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)C2CCC(F)CC2)C1 ZINC001046597596 801316870 /nfs/dbraw/zinc/31/68/70/801316870.db2.gz JIFYQGZMIOTWOU-DQPZFDDXSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)c2cccc(C(C)C)c2)C1 ZINC001046748904 801320522 /nfs/dbraw/zinc/32/05/22/801320522.db2.gz BBAKWCPGFSGHKX-SFHVURJKSA-N 1 1 286.419 3.190 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)c2csc(Cl)c2)C1 ZINC001046674639 801321339 /nfs/dbraw/zinc/32/13/39/801321339.db2.gz YLZTWVODEQVRBI-AWEZNQCLSA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)c2ccccc2Cl)C1 ZINC001046790012 801326749 /nfs/dbraw/zinc/32/67/49/801326749.db2.gz XHBPECKJKYAFCK-INIZCTEOSA-N 1 1 292.810 3.110 20 30 CGEDMO C#CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC001046855287 801327757 /nfs/dbraw/zinc/32/77/57/801327757.db2.gz BOSJFPNWAPRBQQ-BEFAXECRSA-N 1 1 298.430 3.028 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2sccc2CC)C1 ZINC001046853497 801327973 /nfs/dbraw/zinc/32/79/73/801327973.db2.gz YZQNZZBDLAEQHV-MRXNPFEDSA-N 1 1 292.448 3.081 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1C ZINC001049305424 801361919 /nfs/dbraw/zinc/36/19/19/801361919.db2.gz ZSHZRLTXWBBOHW-MSOLQXFVSA-N 1 1 298.430 3.250 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC1CC1 ZINC001049388397 801369833 /nfs/dbraw/zinc/36/98/33/801369833.db2.gz VKXYNUCKZJAMBG-IRXDYDNUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(F)=C(C)C ZINC001049421723 801372779 /nfs/dbraw/zinc/37/27/79/801372779.db2.gz ZGHBWCDBEYAJII-GJZGRUSLSA-N 1 1 294.414 3.281 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)C(=C)Cl ZINC001049500176 801375369 /nfs/dbraw/zinc/37/53/69/801375369.db2.gz CXTMEJNCMRIXCM-UONOGXRCSA-N 1 1 296.842 3.016 20 30 CGEDMO CC[N@@H+](CCC#N)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001256482156 806905865 /nfs/dbraw/zinc/90/58/65/806905865.db2.gz YLVSNIYVSXKXLU-ZIAGYGMSSA-N 1 1 295.427 3.010 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)C(=C)C ZINC001049635781 801378964 /nfs/dbraw/zinc/37/89/64/801378964.db2.gz WFKKJWUASKCYQO-HOTGVXAUSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](F)C(C)C ZINC001049656906 801382221 /nfs/dbraw/zinc/38/22/21/801382221.db2.gz KFNWIFXJBBXGMV-ARFHVFGLSA-N 1 1 296.430 3.012 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1CC ZINC001049671428 801383323 /nfs/dbraw/zinc/38/33/23/801383323.db2.gz LHOLNKGHYRNOOY-MSOLQXFVSA-N 1 1 298.430 3.114 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC(C)(C)C1 ZINC001049701045 801386539 /nfs/dbraw/zinc/38/65/39/801386539.db2.gz YSPXBVLTXQSYJN-HRCADAONSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC(C)(C)C1 ZINC001049701040 801386779 /nfs/dbraw/zinc/38/67/79/801386779.db2.gz YSPXBVLTXQSYJN-ARFHVFGLSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccccc2C)CC1 ZINC001052166780 801423168 /nfs/dbraw/zinc/42/31/68/801423168.db2.gz MAXINZAIXSFCIW-MRXNPFEDSA-N 1 1 286.419 3.155 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)C(C)=C2CCCC2)CC1 ZINC001052296062 801428228 /nfs/dbraw/zinc/42/82/28/801428228.db2.gz XSGLACHSWWKGHU-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccoc2CC)CC1 ZINC001052347827 801430024 /nfs/dbraw/zinc/43/00/24/801430024.db2.gz RNXAIONMGKAMOO-AWEZNQCLSA-N 1 1 290.407 3.002 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](CC[C@@H](C)F)CC2)C1 ZINC001052692394 801446603 /nfs/dbraw/zinc/44/66/03/801446603.db2.gz BGZUXBBFLDAYSE-CABCVRRESA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC001052694449 801448779 /nfs/dbraw/zinc/44/87/79/801448779.db2.gz SYIBHIVYHLWUDP-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](C/C=C/Cl)CC2)C1 ZINC001052693711 801449372 /nfs/dbraw/zinc/44/93/72/801449372.db2.gz XZZARXIUEQEUFI-GBXSZLQWSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)CC1 ZINC001052729534 801449506 /nfs/dbraw/zinc/44/95/06/801449506.db2.gz WRZLTGWLCQUONI-IXDOHACOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC)C1 ZINC001053059542 801463743 /nfs/dbraw/zinc/46/37/43/801463743.db2.gz VSKSPUGUMATPMA-HUUCEWRRSA-N 1 1 298.858 3.242 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)/C(C)=C/C)C2)C1 ZINC001053020328 801463865 /nfs/dbraw/zinc/46/38/65/801463865.db2.gz UGTNNDZYONRFCQ-KTHYOXIYSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccccc1)C2 ZINC001054075165 801469312 /nfs/dbraw/zinc/46/93/12/801469312.db2.gz DXJFPEASUJKLPT-LJQANCHMSA-N 1 1 298.430 3.191 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)CC)C2 ZINC001054185893 801477145 /nfs/dbraw/zinc/47/71/45/801477145.db2.gz KQVDXFXHYQQUFN-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3C[C@@H]3C(C)C)cc2C1 ZINC001054288491 801484055 /nfs/dbraw/zinc/48/40/55/801484055.db2.gz YTLZAFXIRBEJPF-MSOLQXFVSA-N 1 1 298.430 3.097 20 30 CGEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3C[C@@H]3C(C)C)cc2C1 ZINC001054288491 801484065 /nfs/dbraw/zinc/48/40/65/801484065.db2.gz YTLZAFXIRBEJPF-MSOLQXFVSA-N 1 1 298.430 3.097 20 30 CGEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3CCC)cc2C1 ZINC001054280874 801484529 /nfs/dbraw/zinc/48/45/29/801484529.db2.gz VVBYQQACCVXNRO-CRAIPNDOSA-N 1 1 298.430 3.241 20 30 CGEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3CCC)cc2C1 ZINC001054280874 801484534 /nfs/dbraw/zinc/48/45/34/801484534.db2.gz VVBYQQACCVXNRO-CRAIPNDOSA-N 1 1 298.430 3.241 20 30 CGEDMO C#CC(CC)(CC)[NH2+]C1CCN(C(C)(C)C)CC1 ZINC001256557239 806915002 /nfs/dbraw/zinc/91/50/02/806915002.db2.gz KSZBFBKQYPNRFT-UHFFFAOYSA-N 1 1 250.430 3.031 20 30 CGEDMO C#CC(CC)(CC)NC1CC[NH+](C(C)(C)C)CC1 ZINC001256557239 806915005 /nfs/dbraw/zinc/91/50/05/806915005.db2.gz KSZBFBKQYPNRFT-UHFFFAOYSA-N 1 1 250.430 3.031 20 30 CGEDMO C[C@@H]1C[C@H](N2CCCC[C@@H]2C#N)CC[N@H+]1Cc1ccccc1 ZINC001256554227 806915678 /nfs/dbraw/zinc/91/56/78/806915678.db2.gz OXVNNIDLVMILOV-BHIYHBOVSA-N 1 1 297.446 3.418 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C(F)=C2CCCC2)CC[C@@H]1C ZINC001071427558 801537346 /nfs/dbraw/zinc/53/73/46/801537346.db2.gz NBGCHRYJJVCGLG-ZFWWWQNUSA-N 1 1 294.414 3.329 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2(F)CCCC2)CC[C@H]1C ZINC001071623741 801545980 /nfs/dbraw/zinc/54/59/80/801545980.db2.gz BPFIVPMNVXBXKM-CABCVRRESA-N 1 1 296.430 3.204 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C2(C3CC3)CCC2)CC[C@@H]1C ZINC001071709561 801547025 /nfs/dbraw/zinc/54/70/25/801547025.db2.gz ZZRLRZJSYPQWIE-HOCLYGCPSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cc(Cl)cs2)CC[C@H]1C ZINC001071868213 801557427 /nfs/dbraw/zinc/55/74/27/801557427.db2.gz HUOUVQQPIYIJDU-PWSUYJOCSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc(Cl)cs2)CC[C@H]1C ZINC001071868213 801557429 /nfs/dbraw/zinc/55/74/29/801557429.db2.gz HUOUVQQPIYIJDU-PWSUYJOCSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc3ccccc3o2)CC[C@@H]1C ZINC001072049208 801563529 /nfs/dbraw/zinc/56/35/29/801563529.db2.gz OFYNMOUQUDZAOK-ZFWWWQNUSA-N 1 1 298.386 3.202 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C(C)(C)C)[C@@H]2C1 ZINC001084454543 801668997 /nfs/dbraw/zinc/66/89/97/801668997.db2.gz VFCUYGPUFMSJME-ARFHVFGLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3(CC)CCCC3)[C@@H]2C1 ZINC001084749794 801670738 /nfs/dbraw/zinc/67/07/38/801670738.db2.gz JLLMGMLBGFEBLQ-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C)cc3C)[C@@H]2C1 ZINC001084808695 801673073 /nfs/dbraw/zinc/67/30/73/801673073.db2.gz BWPRKAAWDGKZJM-SJLPKXTDSA-N 1 1 298.430 3.026 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC2(CC2)C1 ZINC001085594575 801695449 /nfs/dbraw/zinc/69/54/49/801695449.db2.gz JYUNFELJRFCQGS-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CCC2(CC2)CC1 ZINC001085727864 801701180 /nfs/dbraw/zinc/70/11/80/801701180.db2.gz KEUNZRYXYUZINQ-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=Cc1ccc(C(=O)N(C)C[C@H]2CC[N@H+]2CCC(=C)C)cc1 ZINC001085835890 801707243 /nfs/dbraw/zinc/70/72/43/801707243.db2.gz WGDXRHLASXEEDM-GOSISDBHSA-N 1 1 298.430 3.442 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C)c(C)c1 ZINC001085956759 801713708 /nfs/dbraw/zinc/71/37/08/801713708.db2.gz KQEAFRHWYGBLPZ-QGZVFWFLSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C)cc1C ZINC001085953928 801714580 /nfs/dbraw/zinc/71/45/80/801714580.db2.gz NGHWXYGHBSUAIL-INIZCTEOSA-N 1 1 286.419 3.026 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccoc2Cl)[C@H]1CC ZINC001087554433 801756653 /nfs/dbraw/zinc/75/66/53/801756653.db2.gz GWAUEKXHGLAJSV-QWHCGFSZSA-N 1 1 296.798 3.092 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc3occc3c2)[C@H]1CC ZINC001087581973 801757940 /nfs/dbraw/zinc/75/79/40/801757940.db2.gz LNWGOKOHVQDKTP-JKSUJKDBSA-N 1 1 298.386 3.202 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2(C3CC3)CCC2)[C@H]1CC ZINC001087674687 801761302 /nfs/dbraw/zinc/76/13/02/801761302.db2.gz ZDLIQCCVZNHTHM-JKSUJKDBSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)CC=C(C)CC2)[C@H]1CC ZINC001087837277 801768141 /nfs/dbraw/zinc/76/81/41/801768141.db2.gz CGXUWVQGTIKDHB-JZXOWHBKSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@H]1CC ZINC001087803917 801769280 /nfs/dbraw/zinc/76/92/80/801769280.db2.gz YIEQDAIFEINGFX-LUKYLMHMSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2(C)C(C)(C)C2(C)C)[C@H]1C ZINC001089078358 801821792 /nfs/dbraw/zinc/82/17/92/801821792.db2.gz UTMUHUHMTQZDHB-KGLIPLIRSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C)CC(C)(C)C1 ZINC001089545014 801841934 /nfs/dbraw/zinc/84/19/34/801841934.db2.gz FLTHDLABLMASSS-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1=CCCC1 ZINC001089629700 801846311 /nfs/dbraw/zinc/84/63/11/801846311.db2.gz WCNSJQIWQGQEEO-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)ccc1C)C2 ZINC001096425524 801889189 /nfs/dbraw/zinc/88/91/89/801889189.db2.gz VQSCDYGOJUQZBK-NJAFHUGGSA-N 1 1 298.430 3.215 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C=C1CCCCC1)C2 ZINC001096859670 801896157 /nfs/dbraw/zinc/89/61/57/801896157.db2.gz PJEADVHLAQYJPS-ZACQAIPSSA-N 1 1 288.435 3.175 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C=C)cc1)C2 ZINC001097899029 801904798 /nfs/dbraw/zinc/90/47/98/801904798.db2.gz XYPVRHNRYCTBLY-KURKYZTESA-N 1 1 296.414 3.241 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC)CC1 ZINC001097788333 801906041 /nfs/dbraw/zinc/90/60/41/801906041.db2.gz DODLLNWFBPCVTB-ZACQAIPSSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C1CCCC1)C2 ZINC001098191092 801906470 /nfs/dbraw/zinc/90/64/70/801906470.db2.gz ZXHYBTJJZJHSCE-DZUCGIPZSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)/C=C(\C)C1CC1 ZINC001098939756 801921989 /nfs/dbraw/zinc/92/19/89/801921989.db2.gz SVCIARDQAJLVDJ-UKYUDJEDSA-N 1 1 290.451 3.136 20 30 CGEDMO C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H](C)CCC ZINC001098960123 801922151 /nfs/dbraw/zinc/92/21/51/801922151.db2.gz LRSULOUOHODBPO-JKSUJKDBSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CC1CC1 ZINC001099097671 801929027 /nfs/dbraw/zinc/92/90/27/801929027.db2.gz CEDLSVRRTYWJHO-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc(C)cc2)C1 ZINC001099132632 801929982 /nfs/dbraw/zinc/92/99/82/801929982.db2.gz SSABWLSXFYYKAJ-HKUYNNGSSA-N 1 1 298.430 3.155 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCF ZINC001099171490 801929994 /nfs/dbraw/zinc/92/99/94/801929994.db2.gz QGHRCNSITIGXSX-AWEZNQCLSA-N 1 1 298.446 3.165 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCF ZINC001099171490 801929999 /nfs/dbraw/zinc/92/99/99/801929999.db2.gz QGHRCNSITIGXSX-AWEZNQCLSA-N 1 1 298.446 3.165 20 30 CGEDMO C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](F)C(C)C ZINC001099189468 801931820 /nfs/dbraw/zinc/93/18/20/801931820.db2.gz SACNGSGHMLHKOK-CABCVRRESA-N 1 1 298.446 3.163 20 30 CGEDMO C=CCCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC=C ZINC001099200277 801934092 /nfs/dbraw/zinc/93/40/92/801934092.db2.gz YHBVLKKMZXGZBI-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](C)CC(C)C ZINC001099286369 801935678 /nfs/dbraw/zinc/93/56/78/801935678.db2.gz VPFHUNSABUEHMQ-CVEARBPZSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)C=C(CC)CC)C[C@]2(C)C1 ZINC001101195331 801973722 /nfs/dbraw/zinc/97/37/22/801973722.db2.gz MVECDCWRVCMNJM-AEFFLSMTSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)CCC(=O)N1C[C@H]2C[N@H+](C[C@@H](C)CC)C[C@@]2(C)C1 ZINC001101253594 801975103 /nfs/dbraw/zinc/97/51/03/801975103.db2.gz SAYPYOGBNALACI-JZXOWHBKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC(C)(C)CC(=O)N1C[C@H]2C[N@H+](CC(C)C)C[C@@]2(C)C1 ZINC001101252704 801975210 /nfs/dbraw/zinc/97/52/10/801975210.db2.gz UFWLIZKBXZDLMI-QAPCUYQASA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C)CCCC)C[C@]2(C)C1 ZINC001101221549 801975560 /nfs/dbraw/zinc/97/55/60/801975560.db2.gz WGJHDRRPCVHEGP-NUJGCVRESA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](CCC)C(C)C)C[C@]2(C)C1 ZINC001101378812 801976990 /nfs/dbraw/zinc/97/69/90/801976990.db2.gz GTLRRIQCOCNUOC-NUJGCVRESA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](CNC(=O)CCC(C)C)[C@H](C)C1 ZINC001101711189 801988808 /nfs/dbraw/zinc/98/88/08/801988808.db2.gz QKSPCNWSSRSKNO-IXDOHACOSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](CNC(=O)CCCC[C@@H](C)CC)[C@H](C)C1 ZINC001102001318 801997664 /nfs/dbraw/zinc/99/76/64/801997664.db2.gz HNIOTWWSOTWUDG-GVDBMIGSSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)C2CCC2)[C@H](C)C1 ZINC001102082260 801997762 /nfs/dbraw/zinc/99/77/62/801997762.db2.gz OORPDHAVIKIWDG-HLLBOEOZSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1C[N@@H+](CC(CC)CC)C[C@H]1C ZINC001102011912 801997908 /nfs/dbraw/zinc/99/79/08/801997908.db2.gz XLKOUIYIQNJXDI-NVXWUHKLSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)C2(C)CCCC2)[C@H](C)C1 ZINC001102200683 802001099 /nfs/dbraw/zinc/00/10/99/802001099.db2.gz PFORKWZPLPWCRG-TZMCWYRMSA-N 1 1 298.858 3.003 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](CNC(=O)C/C=C(/C)C=C)[C@H](C)C1 ZINC001102247536 802003150 /nfs/dbraw/zinc/00/31/50/802003150.db2.gz XNABMYGGZXLJKG-CBNFBOEASA-N 1 1 290.451 3.159 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](CNC(=O)CCC(C)(C)C)[C@H](C)C1 ZINC001102476133 802008644 /nfs/dbraw/zinc/00/86/44/802008644.db2.gz WGPXGXAAQAVZNP-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](CNC(=O)CCCCC(C)C)[C@H](C)C1 ZINC001102474684 802009924 /nfs/dbraw/zinc/00/99/24/802009924.db2.gz GUAWOMZKVMVCSC-IAGOWNOFSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](CNC(=O)C[C@H](C)CC(C)C)[C@H](C)C1 ZINC001102508505 802010913 /nfs/dbraw/zinc/01/09/13/802010913.db2.gz VESCLDAPPFOYMZ-BRWVUGGUSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](F)CCCCCC)[C@H](C)C1 ZINC001102512722 802011535 /nfs/dbraw/zinc/01/15/35/802011535.db2.gz ZSEHYXBCPARFHI-OAGGEKHMSA-N 1 1 298.446 3.165 20 30 CGEDMO C=CC[N@H+]1C[C@@H](CNC(=O)C(C)(C)CC(C)(C)C)[C@H](C)C1 ZINC001102592117 802012421 /nfs/dbraw/zinc/01/24/21/802012421.db2.gz MVLICHRWAINPOK-HUUCEWRRSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC2CCCC2)C1 ZINC001102645075 802016331 /nfs/dbraw/zinc/01/63/31/802016331.db2.gz WSPSZNSACWEVKI-NVXWUHKLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)C)C1 ZINC001102674227 802018146 /nfs/dbraw/zinc/01/81/46/802018146.db2.gz FXTYCHJLIWMBLS-IAGOWNOFSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)C2CC2)C1 ZINC001102828068 802021634 /nfs/dbraw/zinc/02/16/34/802021634.db2.gz CEGKYTWJCTXREJ-HLLBOEOZSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2(C)CC2)C1 ZINC001103244114 802029828 /nfs/dbraw/zinc/02/98/28/802029828.db2.gz NLSPOSYYBCWDRT-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(CC)CC2)C1 ZINC001103406581 802033546 /nfs/dbraw/zinc/03/35/46/802033546.db2.gz MYHUDMWREUYZRF-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)CC(C)C)C1 ZINC001103580451 802036732 /nfs/dbraw/zinc/03/67/32/802036732.db2.gz KYCCXMGOTRFSKM-GVDBMIGSSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H](C)CC(C)C)C1 ZINC001103632318 802036983 /nfs/dbraw/zinc/03/69/83/802036983.db2.gz BMPHFRDJFOLHFA-GVDBMIGSSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@@](C)(C=C)CC)CCC[C@@H]12 ZINC001107536742 802090680 /nfs/dbraw/zinc/09/06/80/802090680.db2.gz ZETCYJSXQMQWLS-BPQIPLTHSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C(C)=C\CC)C2 ZINC001109009109 802106988 /nfs/dbraw/zinc/10/69/88/802106988.db2.gz HRRADUYUZDHLMK-KSKPACDFSA-N 1 1 290.451 3.419 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@](C)(F)CCCC)C2 ZINC001109467200 802116474 /nfs/dbraw/zinc/11/64/74/802116474.db2.gz NVMKXVIUYCJZOV-WBTNSWJXSA-N 1 1 296.430 3.202 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)CC(C)C)C2 ZINC001109944129 802127891 /nfs/dbraw/zinc/12/78/91/802127891.db2.gz BFYMNLFCCAOFIV-YVSFHVDLSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC(C)C)C2 ZINC001110276965 802136476 /nfs/dbraw/zinc/13/64/76/802136476.db2.gz PDJOCHGIWAKONI-OAGGEKHMSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)c1ccccc1 ZINC001110371244 802137939 /nfs/dbraw/zinc/13/79/39/802137939.db2.gz GYSMFSYBXUADSW-HPBDAGMYSA-N 1 1 298.430 3.435 20 30 CGEDMO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[C@H]1C)C2 ZINC001110895941 802148645 /nfs/dbraw/zinc/14/86/45/802148645.db2.gz GKEQLYQYKLXXDL-HHARLNAUSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CC(C)C1 ZINC001110966959 802152692 /nfs/dbraw/zinc/15/26/92/802152692.db2.gz MCTBHGKDSFSPDK-YWWDTZIBSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1 ZINC001111072888 802154968 /nfs/dbraw/zinc/15/49/68/802154968.db2.gz YFLVRYNZTSVULP-OAGGEKHMSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC(CC)CC)C2 ZINC001111191564 802156329 /nfs/dbraw/zinc/15/63/29/802156329.db2.gz YNYGCTWKOZOQRM-OAGGEKHMSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)/C(C)=C/CC)C1 ZINC001111633842 802164491 /nfs/dbraw/zinc/16/44/91/802164491.db2.gz NEXUXSYDOBVJLT-IXTTWUQQSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)CC(C)C)C1 ZINC001111918539 802172336 /nfs/dbraw/zinc/17/23/36/802172336.db2.gz RRJDKZSVKYVXOO-RYRKJORJSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC1(CC(=O)N2CC[NH+](CC(=C)C)CC2)CCCCC1 ZINC001113423652 802221571 /nfs/dbraw/zinc/22/15/71/802221571.db2.gz INQYJXNDACWUHF-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(CC)CC ZINC001113908104 802236455 /nfs/dbraw/zinc/23/64/55/802236455.db2.gz VTWSYFUSUGMDBA-FVQHAEBGSA-N 1 1 294.483 3.439 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC001114724628 802244106 /nfs/dbraw/zinc/24/41/06/802244106.db2.gz PYALQQYEDCOODF-CAOSSQGBSA-N 1 1 292.467 3.071 20 30 CGEDMO C#CC[N@H+](Cc1ccc(-n2nc(C)cc2C)cc1)CC1CC1 ZINC001116369779 802338686 /nfs/dbraw/zinc/33/86/86/802338686.db2.gz VATRYZBLEJOPRM-UHFFFAOYSA-N 1 1 293.414 3.334 20 30 CGEDMO COc1cc(C[N@H+](CCC#N)CC(C)C)ccc1F ZINC001116433698 802347269 /nfs/dbraw/zinc/34/72/69/802347269.db2.gz BXBGLIATQUIELL-UHFFFAOYSA-N 1 1 264.344 3.206 20 30 CGEDMO COc1cc(C[N@@H+](CCC#N)CC(C)C)ccc1F ZINC001116433698 802347276 /nfs/dbraw/zinc/34/72/76/802347276.db2.gz BXBGLIATQUIELL-UHFFFAOYSA-N 1 1 264.344 3.206 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)c1c(C)coc1C ZINC001266387931 808254095 /nfs/dbraw/zinc/25/40/95/808254095.db2.gz LQVSUSHTQVBIFA-AWEZNQCLSA-N 1 1 292.423 3.303 20 30 CGEDMO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H](C)c1ccccc1 ZINC001273080240 808833110 /nfs/dbraw/zinc/83/31/10/808833110.db2.gz XHUUYXHGCLJDRI-KBAYOESNSA-N 1 1 298.430 3.041 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC1CCC(O)CC1 ZINC001118561418 802583999 /nfs/dbraw/zinc/58/39/99/802583999.db2.gz JPMVEHNLHZPZIG-TUBUQKNSSA-N 1 1 272.392 3.102 20 30 CGEDMO C[C@H]1CCc2nc(C[N@@H+]3CCC[C@H](CC#N)C3)sc2C1 ZINC001118587082 802587144 /nfs/dbraw/zinc/58/71/44/802587144.db2.gz FLZMPPYSBNGIED-QWHCGFSZSA-N 1 1 289.448 3.394 20 30 CGEDMO C[C@H]1CCc2nc(C[N@H+]3CCC[C@H](CC#N)C3)sc2C1 ZINC001118587082 802587147 /nfs/dbraw/zinc/58/71/47/802587147.db2.gz FLZMPPYSBNGIED-QWHCGFSZSA-N 1 1 289.448 3.394 20 30 CGEDMO CC(C)[C@]1(CO)CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001119781268 802699739 /nfs/dbraw/zinc/69/97/39/802699739.db2.gz SEYIDXPPTLASQC-MRXNPFEDSA-N 1 1 292.810 3.052 20 30 CGEDMO CS[C@H]1CC[C@H]([N@@H+](C)CC#Cc2ccccc2)C1 ZINC001119929104 802708195 /nfs/dbraw/zinc/70/81/95/802708195.db2.gz JDKAJHRETPXTEB-HOTGVXAUSA-N 1 1 259.418 3.254 20 30 CGEDMO Cc1cc(F)c(C#N)c(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC001120014492 802725670 /nfs/dbraw/zinc/72/56/70/802725670.db2.gz NWNNXQRRIKYNNV-OLZOCXBDSA-N 1 1 273.355 3.045 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CCC)C1 ZINC001120392277 802743193 /nfs/dbraw/zinc/74/31/93/802743193.db2.gz LNXPIQSTQBMVQO-IAGOWNOFSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCC(=C)C)C1 ZINC001120393740 802743346 /nfs/dbraw/zinc/74/33/46/802743346.db2.gz XDRNYOIMYOZNAC-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C(#Cc1ccccc1)CN[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256905159 807006463 /nfs/dbraw/zinc/00/64/63/807006463.db2.gz QJHVXYLVLOPHDZ-SFHVURJKSA-N 1 1 282.431 3.035 20 30 CGEDMO C(#Cc1ccccc1)C[NH2+][C@H]1CCCN(C2CCCC2)C1 ZINC001256905159 807006471 /nfs/dbraw/zinc/00/64/71/807006471.db2.gz QJHVXYLVLOPHDZ-SFHVURJKSA-N 1 1 282.431 3.035 20 30 CGEDMO C=CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001124816258 803040965 /nfs/dbraw/zinc/04/09/65/803040965.db2.gz REFIDMLOAUERQH-KRWDZBQOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)CCCCC)CC[C@H]1C ZINC001131817385 803348942 /nfs/dbraw/zinc/34/89/42/803348942.db2.gz MLSPBQRREDPLJM-HUUCEWRRSA-N 1 1 266.429 3.112 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)CSCCC)CC[C@@H]1C ZINC001131903549 803356072 /nfs/dbraw/zinc/35/60/72/803356072.db2.gz IWPPVIPDHQUACD-GJZGRUSLSA-N 1 1 298.496 3.065 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC2=CCCCC2)C1 ZINC001131898751 803356318 /nfs/dbraw/zinc/35/63/18/803356318.db2.gz DMRIXLMOCXNCHO-WBVHZDCISA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCCCCF)C1 ZINC001131895649 803356470 /nfs/dbraw/zinc/35/64/70/803356470.db2.gz LBNKWRJHOPGAIV-CABCVRRESA-N 1 1 284.419 3.062 20 30 CGEDMO CC#CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCCCC)C1 ZINC001132223574 803381997 /nfs/dbraw/zinc/38/19/97/803381997.db2.gz FDAGEUMVYBKREP-IRXDYDNUSA-N 1 1 292.467 3.339 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)C(C)(C)C2CC2)CC[C@@H]1C ZINC001132236921 803382897 /nfs/dbraw/zinc/38/28/97/803382897.db2.gz ASLWUVBNPUQLNO-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)c2cocc2C)CC[C@@H]1C ZINC001132228090 803384368 /nfs/dbraw/zinc/38/43/68/803384368.db2.gz MBYIUGGBKKCLCQ-LSDHHAIUSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCC[N@H+]1C[C@H](NC(=O)C2(CC)CCC2)CC[C@@H]1C ZINC001132244229 803385946 /nfs/dbraw/zinc/38/59/46/803385946.db2.gz HRSRAGBINKZXPO-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC3CC3)C2)CCC1 ZINC001132281468 803389615 /nfs/dbraw/zinc/38/96/15/803389615.db2.gz CIOZPXNGMWBOJP-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCCC1(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CC(C)C)C2)CC1 ZINC001132278024 803390488 /nfs/dbraw/zinc/39/04/88/803390488.db2.gz LHWINJLBBBXDRH-CVEARBPZSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](CC2CCC2)C1 ZINC001132332562 803396252 /nfs/dbraw/zinc/39/62/52/803396252.db2.gz VMXUNPFBCFRJOB-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)CCCCC(C)C)CC[C@H]1C ZINC001132369424 803397560 /nfs/dbraw/zinc/39/75/60/803397560.db2.gz XDYWBHUNRXSUKC-HZPDHXFCSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)CC(CC)CC)CC[C@H]1C ZINC001132392568 803399494 /nfs/dbraw/zinc/39/94/94/803399494.db2.gz MNQFYFMFOGAIEK-GDBMZVCRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)C(CC)(CC)CC)CC[C@H]1C ZINC001132384858 803399835 /nfs/dbraw/zinc/39/98/35/803399835.db2.gz UUGVTRMQGGUSCS-HUUCEWRRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)CCCCCC)CC[C@H]1C ZINC001132463964 803406110 /nfs/dbraw/zinc/40/61/10/803406110.db2.gz KWZVYUQDOVTBEH-HUUCEWRRSA-N 1 1 266.429 3.112 20 30 CGEDMO COc1ccc(-c2ccc3c(c2)C[N@H+](C)CC3)cc1C#N ZINC001244710223 803509315 /nfs/dbraw/zinc/50/93/15/803509315.db2.gz DQXIDJFULPZLMO-UHFFFAOYSA-N 1 1 278.355 3.222 20 30 CGEDMO Cc1csc(C[N@H+]2CCc3cc(C#N)ccc3C2)c1 ZINC001137153569 803690728 /nfs/dbraw/zinc/69/07/28/803690728.db2.gz ZAWMXNFNFNCZAU-UHFFFAOYSA-N 1 1 268.385 3.487 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)c(C#N)c1 ZINC001137699446 803760306 /nfs/dbraw/zinc/76/03/06/803760306.db2.gz IHZPSTQIAKERBG-KBPBESRZSA-N 1 1 270.376 3.189 20 30 CGEDMO COc1ccc(C[N@H+](C)CCOc2ccccc2)c(C#N)c1 ZINC001137703015 803761008 /nfs/dbraw/zinc/76/10/08/803761008.db2.gz ACAXVAQSJMVUBW-UHFFFAOYSA-N 1 1 296.370 3.078 20 30 CGEDMO COc1ccc(C[N@@H+](C)CCOc2ccccc2)c(C#N)c1 ZINC001137703015 803761015 /nfs/dbraw/zinc/76/10/15/803761015.db2.gz ACAXVAQSJMVUBW-UHFFFAOYSA-N 1 1 296.370 3.078 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCC[C@@H](C#N)CC2)c(F)c1F ZINC001137969740 803812235 /nfs/dbraw/zinc/81/22/35/803812235.db2.gz GRBWCBJAVJOOQQ-GFCCVEGCSA-N 1 1 264.319 3.399 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@@H](C#N)CC2)c(F)c1F ZINC001137969740 803812247 /nfs/dbraw/zinc/81/22/47/803812247.db2.gz GRBWCBJAVJOOQQ-GFCCVEGCSA-N 1 1 264.319 3.399 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccc(O)c3ccccc23)C1 ZINC001138061401 803842261 /nfs/dbraw/zinc/84/22/61/803842261.db2.gz LSCCUVHBXWYUMP-ZDUSSCGKSA-N 1 1 266.344 3.281 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2ccc(O)c3ccccc23)C1 ZINC001138061401 803842273 /nfs/dbraw/zinc/84/22/73/803842273.db2.gz LSCCUVHBXWYUMP-ZDUSSCGKSA-N 1 1 266.344 3.281 20 30 CGEDMO CC[N@H+](CCC#N)Cc1ccc(O)c2ccccc12 ZINC001138059768 803843742 /nfs/dbraw/zinc/84/37/42/803843742.db2.gz KVZHAPRSAYPKCZ-UHFFFAOYSA-N 1 1 254.333 3.281 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1ccc(O)c2ccccc12 ZINC001138059768 803843750 /nfs/dbraw/zinc/84/37/50/803843750.db2.gz KVZHAPRSAYPKCZ-UHFFFAOYSA-N 1 1 254.333 3.281 20 30 CGEDMO Cc1ccc(F)c(C[NH+]2CCC(S)CC2)c1F ZINC001138119743 803862078 /nfs/dbraw/zinc/86/20/78/803862078.db2.gz RHSVMSQJITXATN-UHFFFAOYSA-N 1 1 257.349 3.167 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)cc1OC ZINC001138343030 803898670 /nfs/dbraw/zinc/89/86/70/803898670.db2.gz FMOQGSPBGXEVSP-DLBZAZTESA-N 1 1 299.414 3.329 20 30 CGEDMO COC[C@H]1CC[N@H+]1Cc1ccc(C#Cc2ccccc2)cc1 ZINC001138336364 803899052 /nfs/dbraw/zinc/89/90/52/803899052.db2.gz QXLPPQWQSASGEN-HXUWFJFHSA-N 1 1 291.394 3.307 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(C)c(OC)c(C)c2)C1 ZINC001138429198 803931634 /nfs/dbraw/zinc/93/16/34/803931634.db2.gz ZIDSGQHRKNCYNN-OAHLLOKOSA-N 1 1 257.377 3.157 20 30 CGEDMO COc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001138483084 803947172 /nfs/dbraw/zinc/94/71/72/803947172.db2.gz XRHHJHFFSPPGRA-LBPRGKRZSA-N 1 1 278.783 3.474 20 30 CGEDMO COc1ccc(Cl)cc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001138483084 803947176 /nfs/dbraw/zinc/94/71/76/803947176.db2.gz XRHHJHFFSPPGRA-LBPRGKRZSA-N 1 1 278.783 3.474 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)cc1 ZINC001138556166 803966526 /nfs/dbraw/zinc/96/65/26/803966526.db2.gz IOHVWAXPTHSXTC-QZTJIDSGSA-N 1 1 297.398 3.032 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)cc1 ZINC001138556166 803966531 /nfs/dbraw/zinc/96/65/31/803966531.db2.gz IOHVWAXPTHSXTC-QZTJIDSGSA-N 1 1 297.398 3.032 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2cncn2Cc2ccccc2)CC1 ZINC001138563173 803967707 /nfs/dbraw/zinc/96/77/07/803967707.db2.gz GUWAMJTWNGXYSK-INIZCTEOSA-N 1 1 294.402 3.057 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2cncn2Cc2ccccc2)CC1 ZINC001138563173 803967715 /nfs/dbraw/zinc/96/77/15/803967715.db2.gz GUWAMJTWNGXYSK-INIZCTEOSA-N 1 1 294.402 3.057 20 30 CGEDMO C#CCOc1ccc(C[N@H+](C)Cc2ccc(C)nc2)cc1 ZINC001138559837 803969007 /nfs/dbraw/zinc/96/90/07/803969007.db2.gz DPNGDODRLLDHPU-UHFFFAOYSA-N 1 1 280.371 3.034 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2CC[C@@](C)(F)[C@@H](F)C2)c1O ZINC001138625463 803983871 /nfs/dbraw/zinc/98/38/71/803983871.db2.gz LUJPRPRZYJBSDU-GOEBONIOSA-N 1 1 281.346 3.393 20 30 CGEDMO C=CCc1cccc(C[NH+]2CCN(CCCC)CC2)c1O ZINC001138629047 803986397 /nfs/dbraw/zinc/98/63/97/803986397.db2.gz MGNCDTJEZJOHLV-UHFFFAOYSA-N 1 1 288.435 3.038 20 30 CGEDMO C=CCc1cccc(C[NH+]2CC(Oc3ccccc3)C2)c1O ZINC001138628882 803986840 /nfs/dbraw/zinc/98/68/40/803986840.db2.gz IKXZOACVXLXNGN-UHFFFAOYSA-N 1 1 295.382 3.384 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1C[C@@H](CO)CC[C@H]1C ZINC001138661696 803993981 /nfs/dbraw/zinc/99/39/81/803993981.db2.gz FDZJGRYFNYRPNT-CVEARBPZSA-N 1 1 289.419 3.234 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1CC[C@@H](COC)C1 ZINC001138661738 803994231 /nfs/dbraw/zinc/99/42/31/803994231.db2.gz FTBQVFQDBJFWJU-OAHLLOKOSA-N 1 1 275.392 3.110 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CCCC[C@](C)(O)C1 ZINC001138662039 803994318 /nfs/dbraw/zinc/99/43/18/803994318.db2.gz NMQKEOVMQHKANH-SFHVURJKSA-N 1 1 289.419 3.378 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+](C)CC1(C)COC1 ZINC001138665682 803997366 /nfs/dbraw/zinc/99/73/66/803997366.db2.gz SORHPPNVTCYBQC-UHFFFAOYSA-N 1 1 275.392 3.110 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1CCC[C@H]1C(C)=O ZINC001138667099 803998894 /nfs/dbraw/zinc/99/88/94/803998894.db2.gz NSGCOBOSLLTUCU-INIZCTEOSA-N 1 1 273.376 3.195 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CCC[C@H]1C(C)=O ZINC001138667099 803998903 /nfs/dbraw/zinc/99/89/03/803998903.db2.gz NSGCOBOSLLTUCU-INIZCTEOSA-N 1 1 273.376 3.195 20 30 CGEDMO CCCCCCCC[C@H](O)CN1CCC[C@@H](C[NH2+]C)C1 ZINC001246014756 804098610 /nfs/dbraw/zinc/09/86/10/804098610.db2.gz CUVNQLVKBPBSGP-IRXDYDNUSA-N 1 1 284.488 3.029 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[N@@H+]1CCN[C@H](C)C1 ZINC001246019324 804100807 /nfs/dbraw/zinc/10/08/07/804100807.db2.gz DLONWLRQPIQTOB-IAGOWNOFSA-N 1 1 284.488 3.172 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[N@H+]1CCN[C@H](C)C1 ZINC001246019324 804100810 /nfs/dbraw/zinc/10/08/10/804100810.db2.gz DLONWLRQPIQTOB-IAGOWNOFSA-N 1 1 284.488 3.172 20 30 CGEDMO Cn1ccc2cc(C[N@H+]3CCC[C@H](CC#N)C3)ccc21 ZINC001139190743 804154037 /nfs/dbraw/zinc/15/40/37/804154037.db2.gz UUFXNHMKRFUXBL-CQSZACIVSA-N 1 1 267.376 3.304 20 30 CGEDMO CCCCCCC[C@H](CC(C)C)[NH2+]C[C@@]12CN[C@@H](CO1)C2 ZINC001246145800 804166500 /nfs/dbraw/zinc/16/65/00/804166500.db2.gz FAJZONAZFPIZGZ-KURKYZTESA-N 1 1 296.499 3.482 20 30 CGEDMO CCCCCCCCC[C@@H](C)[NH2+][C@H]1CN[C@@H]2CCO[C@@H]21 ZINC001246149101 804169432 /nfs/dbraw/zinc/16/94/32/804169432.db2.gz CAWAUFHJBGUWNA-NCOADZHNSA-N 1 1 282.472 3.235 20 30 CGEDMO C#Cc1cccc(CN[C@@H]2CC[NH2+]C3(CCCCC3)C2)c1 ZINC001246261023 804242940 /nfs/dbraw/zinc/24/29/40/804242940.db2.gz CLWULJIQYNYTMJ-GOSISDBHSA-N 1 1 282.431 3.212 20 30 CGEDMO C#Cc1ccc(CN[C@H]2C[C@@H](CC)[NH2+][C@@H](CC)C2)cc1 ZINC001246266803 804246283 /nfs/dbraw/zinc/24/62/83/804246283.db2.gz PUDHROCZGZKOTN-PIIMJCKOSA-N 1 1 270.420 3.067 20 30 CGEDMO CCCNCC[NH2+]C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246273318 804249111 /nfs/dbraw/zinc/24/91/11/804249111.db2.gz YMCKCBKPEITVDI-UHFFFAOYSA-N 1 1 285.435 3.174 20 30 CGEDMO CCCCCCC[C@@H](CC(C)C)[NH2+][C@@]1(CO)CCNC1 ZINC001246287676 804260476 /nfs/dbraw/zinc/26/04/76/804260476.db2.gz KGZIGYLUNUBFMR-IRXDYDNUSA-N 1 1 284.488 3.076 20 30 CGEDMO CC(C)O[C@H]1CC[N@@H+](Cc2c[nH]c3c2cccc3C#N)C1 ZINC001139706464 804260478 /nfs/dbraw/zinc/26/04/78/804260478.db2.gz UTDXWRCZIFEFGY-HNNXBMFYSA-N 1 1 283.375 3.039 20 30 CGEDMO Cc1cc(O)cc(C)c1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001139714462 804262063 /nfs/dbraw/zinc/26/20/63/804262063.db2.gz BMFQNMQQSWWUPN-AWEZNQCLSA-N 1 1 258.365 3.135 20 30 CGEDMO C=CCn1cc(C[N@H+](C)[C@@H](C)Cc2ccccc2OC)cn1 ZINC001139771374 804277108 /nfs/dbraw/zinc/27/71/08/804277108.db2.gz YCNGMSAABITNBY-HNNXBMFYSA-N 1 1 299.418 3.141 20 30 CGEDMO C=CCn1cc(C[N@@H+](Cc2ccccc2)C2CC2)cn1 ZINC001139771268 804277744 /nfs/dbraw/zinc/27/77/44/804277744.db2.gz VKEXNRYFJMVVRI-UHFFFAOYSA-N 1 1 267.376 3.234 20 30 CGEDMO C=CCn1cc(C[N@@H+]2CC[C@H](c3ccc(OC)cc3)C2)cn1 ZINC001139771320 804277911 /nfs/dbraw/zinc/27/79/11/804277911.db2.gz XCOCFJDZVIJRTH-KRWDZBQOSA-N 1 1 297.402 3.067 20 30 CGEDMO C=CCn1cc(C[N@H+](C)Cc2cccc3cccnc32)cn1 ZINC001139770229 804278135 /nfs/dbraw/zinc/27/81/35/804278135.db2.gz IIFNLEQTVSZFGX-UHFFFAOYSA-N 1 1 292.386 3.249 20 30 CGEDMO CCCCCCCCC[C@@H](C)[NH2+][C@@H]1CCNC[C@@H]1CO ZINC001246318705 804278975 /nfs/dbraw/zinc/27/89/75/804278975.db2.gz BNOWLRUXDFNXRP-BRWVUGGUSA-N 1 1 284.488 3.076 20 30 CGEDMO C=CCn1cc(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)cn1 ZINC001139774564 804279692 /nfs/dbraw/zinc/27/96/92/804279692.db2.gz MLXQHDZSTCNBFK-GOSISDBHSA-N 1 1 299.393 3.415 20 30 CGEDMO COCC[C@H]1CCCC[N@H+]1Cc1cc(F)cc(C#N)c1 ZINC001139874729 804305085 /nfs/dbraw/zinc/30/50/85/804305085.db2.gz JSCKAOBTWZZVNG-MRXNPFEDSA-N 1 1 276.355 3.088 20 30 CGEDMO N#Cc1cc(F)cc(C[N@H+]2CCC[C@@H]2Cc2ccccn2)c1 ZINC001139875149 804305938 /nfs/dbraw/zinc/30/59/38/804305938.db2.gz IMAOLXHEAAQPSD-GOSISDBHSA-N 1 1 295.361 3.299 20 30 CGEDMO N#Cc1ccc2[nH]cc(C[N@@H+]3CCCC[C@@H](F)C3)c2c1 ZINC001140110434 804378856 /nfs/dbraw/zinc/37/88/56/804378856.db2.gz LUQUNNQIEPNYKX-CQSZACIVSA-N 1 1 271.339 3.364 20 30 CGEDMO CC1CC([N@@H+](C)Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140110398 804379911 /nfs/dbraw/zinc/37/99/11/804379911.db2.gz LIDXNQZHEKWQKH-UHFFFAOYSA-N 1 1 253.349 3.270 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](C(F)F)C2)c(F)c1 ZINC001140139439 804387620 /nfs/dbraw/zinc/38/76/20/804387620.db2.gz RTZBHROQZGPQDB-GFCCVEGCSA-N 1 1 268.282 3.174 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](C(F)F)C2)c(F)c1 ZINC001140139439 804387626 /nfs/dbraw/zinc/38/76/26/804387626.db2.gz RTZBHROQZGPQDB-GFCCVEGCSA-N 1 1 268.282 3.174 20 30 CGEDMO C[N@@H+](Cc1c[nH]c2cccc(O)c12)Cc1ccc(C#N)cc1 ZINC001140233829 804403013 /nfs/dbraw/zinc/40/30/13/804403013.db2.gz VQGNFENRWRORAR-UHFFFAOYSA-N 1 1 291.354 3.377 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](Cc2ccccc2-c2cccnc2)C1 ZINC001140318877 804410454 /nfs/dbraw/zinc/41/04/54/804410454.db2.gz OKKDJZQTSIVZNS-SFHVURJKSA-N 1 1 277.371 3.484 20 30 CGEDMO CCCCCCCC[C@@H](CC)[N@H+]1CCNC[C@H]1COC ZINC001246597078 804436747 /nfs/dbraw/zinc/43/67/47/804436747.db2.gz QXNGTPIFIHHONG-SJORKVTESA-N 1 1 284.488 3.436 20 30 CGEDMO CCCCCCCC[C@@H](CC)N1CC[NH2+]C[C@H]1COC ZINC001246597078 804436751 /nfs/dbraw/zinc/43/67/51/804436751.db2.gz QXNGTPIFIHHONG-SJORKVTESA-N 1 1 284.488 3.436 20 30 CGEDMO Cc1cc(C#N)cc(Cl)c1Nc1ccc[nH+]c1N ZINC001212399872 815017903 /nfs/dbraw/zinc/01/79/03/815017903.db2.gz NCKRZOXODMLARB-UHFFFAOYSA-N 1 1 258.712 3.241 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccccc2F)cn1 ZINC001140543537 804457925 /nfs/dbraw/zinc/45/79/25/804457925.db2.gz BZZHGLMFYZNXRM-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccccc2F)cn1 ZINC001140543537 804457931 /nfs/dbraw/zinc/45/79/31/804457931.db2.gz BZZHGLMFYZNXRM-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)nc2)cc1 ZINC001140543687 804458185 /nfs/dbraw/zinc/45/81/85/804458185.db2.gz QYYNLJJTQYLPGP-SFHVURJKSA-N 1 1 293.370 3.299 20 30 CGEDMO N#Cc1c(Nc2ccc[nH+]c2N)cccc1C(F)(F)F ZINC001212404161 815019263 /nfs/dbraw/zinc/01/92/63/815019263.db2.gz OSTYOHMOGPEKQZ-UHFFFAOYSA-N 1 1 278.237 3.298 20 30 CGEDMO N#Cc1ccc(Cl)c(C[N@H+]2CC[C@@]3(C2)CCCCO3)c1 ZINC001140600096 804471938 /nfs/dbraw/zinc/47/19/38/804471938.db2.gz BMJSAGSWMKZAJW-MRXNPFEDSA-N 1 1 290.794 3.357 20 30 CGEDMO CCCCCCC[C@H](C)N1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC001246647713 804475676 /nfs/dbraw/zinc/47/56/76/804475676.db2.gz VERLSZZJTUNFAX-ZWKOTPCHSA-N 1 1 296.499 3.437 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2ccc(OC(F)F)c(O)c2)CC1 ZINC001140629483 804478020 /nfs/dbraw/zinc/47/80/20/804478020.db2.gz XHOZXFSYTUHDDU-NSHDSACASA-N 1 1 296.317 3.119 20 30 CGEDMO C[N@H+](Cc1cc(F)c(C#N)c(F)c1)C[C@@H]1CC1(C)C ZINC001140754962 804505706 /nfs/dbraw/zinc/50/57/06/804505706.db2.gz QIZBUUQFSHEBPP-NSHDSACASA-N 1 1 264.319 3.314 20 30 CGEDMO N#Cc1c(F)cc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)cc1F ZINC001140753678 804505775 /nfs/dbraw/zinc/50/57/75/804505775.db2.gz KOGWNJSWSFHJNS-CYBMUJFWSA-N 1 1 284.256 3.068 20 30 CGEDMO N#Cc1c(F)cc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)cc1F ZINC001140753678 804505778 /nfs/dbraw/zinc/50/57/78/804505778.db2.gz KOGWNJSWSFHJNS-CYBMUJFWSA-N 1 1 284.256 3.068 20 30 CGEDMO CN(Cc1cccc(C#N)c1)[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256922004 807013189 /nfs/dbraw/zinc/01/31/89/807013189.db2.gz AAFKBMBOWHUFMQ-IBGZPJMESA-N 1 1 297.446 3.397 20 30 CGEDMO CC(=O)C1CC[NH+](Cc2cccc(C#N)c2Cl)CC1 ZINC001140809698 804525600 /nfs/dbraw/zinc/52/56/00/804525600.db2.gz CTCNNOJTUVOJDA-UHFFFAOYSA-N 1 1 276.767 3.013 20 30 CGEDMO Cc1cccc2c1CC[N@H+](C1CCC(C#N)CC1)C2 ZINC001256965154 807019378 /nfs/dbraw/zinc/01/93/78/807019378.db2.gz KZAYSDNBYANHBT-UHFFFAOYSA-N 1 1 254.377 3.436 20 30 CGEDMO C=CC[N@@H+](Cc1cc(F)c([O-])c(F)c1)C(C)(C)C ZINC001140991801 804563110 /nfs/dbraw/zinc/56/31/10/804563110.db2.gz AKHCQNZHUYIVNY-UHFFFAOYSA-N 1 1 255.308 3.457 20 30 CGEDMO C=CC[N@H+](Cc1cc(F)c(O)c(F)c1)C(C)(C)C ZINC001140991801 804563115 /nfs/dbraw/zinc/56/31/15/804563115.db2.gz AKHCQNZHUYIVNY-UHFFFAOYSA-N 1 1 255.308 3.457 20 30 CGEDMO C=CC[N@@H+](Cc1cc(F)c(O)c(F)c1)C(C)(C)C ZINC001140991801 804563123 /nfs/dbraw/zinc/56/31/23/804563123.db2.gz AKHCQNZHUYIVNY-UHFFFAOYSA-N 1 1 255.308 3.457 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cc(F)c([O-])c(F)c1 ZINC001140991158 804563759 /nfs/dbraw/zinc/56/37/59/804563759.db2.gz ZXBOXPNIHOGNRX-UHFFFAOYSA-N 1 1 255.308 3.459 20 30 CGEDMO C=CCCCC[N@@H+](C)Cc1cc(F)c(O)c(F)c1 ZINC001140991158 804563766 /nfs/dbraw/zinc/56/37/66/804563766.db2.gz ZXBOXPNIHOGNRX-UHFFFAOYSA-N 1 1 255.308 3.459 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cc(F)c(O)c(F)c1 ZINC001140991158 804563772 /nfs/dbraw/zinc/56/37/72/804563772.db2.gz ZXBOXPNIHOGNRX-UHFFFAOYSA-N 1 1 255.308 3.459 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001141164000 804601538 /nfs/dbraw/zinc/60/15/38/804601538.db2.gz YGCBIKBBBGYTFO-BETUJISGSA-N 1 1 280.293 3.174 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001141164000 804601539 /nfs/dbraw/zinc/60/15/39/804601539.db2.gz YGCBIKBBBGYTFO-BETUJISGSA-N 1 1 280.293 3.174 20 30 CGEDMO CN(C)c1cccc(C[N@@H+](CCC#N)C2CCCC2)c1 ZINC001141264226 804625224 /nfs/dbraw/zinc/62/52/24/804625224.db2.gz YVVKCTVJPVMZDS-UHFFFAOYSA-N 1 1 271.408 3.411 20 30 CGEDMO CSc1nc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)ccc1C#N ZINC001141932109 804680169 /nfs/dbraw/zinc/68/01/69/804680169.db2.gz SVTAPECURBKQFF-OKILXGFUSA-N 1 1 287.432 3.297 20 30 CGEDMO CC(C)[C@H]([NH3+])c1nc(-c2ccc(C#N)c3ccccc23)no1 ZINC001247418489 804729937 /nfs/dbraw/zinc/72/99/37/804729937.db2.gz VTPMRYSPIFODBA-HNNXBMFYSA-N 1 1 292.342 3.417 20 30 CGEDMO C[N@@H+](Cc1c[nH]c2cc(C#N)ccc12)Cc1ccccc1O ZINC001142922392 804784796 /nfs/dbraw/zinc/78/47/96/804784796.db2.gz GLQUEEFCRGGZSM-UHFFFAOYSA-N 1 1 291.354 3.377 20 30 CGEDMO C[N@H+]1CCC[C@@H](CCNc2ccc(CS)cc2)C1 ZINC001165290133 806988462 /nfs/dbraw/zinc/98/84/62/806988462.db2.gz OTDLTZMDTYBRNS-ZDUSSCGKSA-N 1 1 264.438 3.260 20 30 CGEDMO CC(C)(C)c1ccc(-c2noc(C3([NH3+])CCC3)n2)c(C#N)c1 ZINC001247720351 804803748 /nfs/dbraw/zinc/80/37/48/804803748.db2.gz LYBLWQPKIJGJRM-UHFFFAOYSA-N 1 1 296.374 3.244 20 30 CGEDMO C[C@@H]1CCCC[N@@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143163762 804812041 /nfs/dbraw/zinc/81/20/41/804812041.db2.gz LUIFDPMLEKBTGL-SNVBAGLBSA-N 1 1 250.292 3.211 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143163762 804812046 /nfs/dbraw/zinc/81/20/46/804812046.db2.gz LUIFDPMLEKBTGL-SNVBAGLBSA-N 1 1 250.292 3.211 20 30 CGEDMO CC1(C)CC[N@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143170628 804814956 /nfs/dbraw/zinc/81/49/56/804814956.db2.gz IVOYEPJFRKALOE-UHFFFAOYSA-N 1 1 250.292 3.068 20 30 CGEDMO CC1(C)CC[N@@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143170628 804814965 /nfs/dbraw/zinc/81/49/65/804814965.db2.gz IVOYEPJFRKALOE-UHFFFAOYSA-N 1 1 250.292 3.068 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c1F ZINC001143164712 804815026 /nfs/dbraw/zinc/81/50/26/804815026.db2.gz ONNABKHDGPQHCF-TXEJJXNPSA-N 1 1 262.303 3.068 20 30 CGEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CCC#N)c1 ZINC001143198919 804819551 /nfs/dbraw/zinc/81/95/51/804819551.db2.gz QVIPTNLWAIRGHK-UHFFFAOYSA-N 1 1 296.374 3.297 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(OC)cc1C(F)(F)F ZINC001143478554 804857316 /nfs/dbraw/zinc/85/73/16/804857316.db2.gz IXNSSMZLZVXEBF-UHFFFAOYSA-N 1 1 259.271 3.332 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2cccc(OC(C)C)c2)no1 ZINC001247963738 804857782 /nfs/dbraw/zinc/85/77/82/804857782.db2.gz VVURUNIYPLFYKL-ZDUSSCGKSA-N 1 1 273.336 3.100 20 30 CGEDMO COC1(C)CC[NH+](Cc2c(Cl)cccc2C#N)CC1 ZINC001143716322 804887762 /nfs/dbraw/zinc/88/77/62/804887762.db2.gz LMLROASRJXQUKE-UHFFFAOYSA-N 1 1 278.783 3.213 20 30 CGEDMO CC[N@H+](Cc1c(Cl)cccc1C#N)C1CCOCC1 ZINC001143726506 804889493 /nfs/dbraw/zinc/88/94/93/804889493.db2.gz SFXOSRVSMOXBDU-UHFFFAOYSA-N 1 1 278.783 3.213 20 30 CGEDMO CC[N@@H+](Cc1c(Cl)cccc1C#N)C1CCOCC1 ZINC001143726506 804889501 /nfs/dbraw/zinc/88/95/01/804889501.db2.gz SFXOSRVSMOXBDU-UHFFFAOYSA-N 1 1 278.783 3.213 20 30 CGEDMO N#Cc1cccc(Cl)c1C[NH+]1CCC2(CCCO2)CC1 ZINC001143726462 804889994 /nfs/dbraw/zinc/88/99/94/804889994.db2.gz QYPVRLYLECYZAN-UHFFFAOYSA-N 1 1 290.794 3.357 20 30 CGEDMO C=CCC(C)(C)C(=O)Nc1ccnc(-c2cc(N)cc[nH+]2)c1 ZINC001144065617 804932168 /nfs/dbraw/zinc/93/21/68/804932168.db2.gz GWCDDJISAFFQPN-UHFFFAOYSA-N 1 1 296.374 3.267 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(-n3cccc3)cc2)C1 ZINC001144245677 804960521 /nfs/dbraw/zinc/96/05/21/804960521.db2.gz ALTOJPDFNQFAJV-MRXNPFEDSA-N 1 1 264.372 3.323 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(F)c3cc[nH]c32)C1 ZINC001248817937 805007785 /nfs/dbraw/zinc/00/77/85/805007785.db2.gz QTWIEMUBIOEHBP-GFCCVEGCSA-N 1 1 256.324 3.152 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)Cc2cn3ccc(C)cc3n2)cc1 ZINC001144580430 805011383 /nfs/dbraw/zinc/01/13/83/805011383.db2.gz BUZVQQSHTHUVAR-UHFFFAOYSA-N 1 1 289.382 3.256 20 30 CGEDMO C#Cc1ccc(C[N@@H+](C)Cc2cn3ccc(C)cc3n2)cc1 ZINC001144580430 805011389 /nfs/dbraw/zinc/01/13/89/805011389.db2.gz BUZVQQSHTHUVAR-UHFFFAOYSA-N 1 1 289.382 3.256 20 30 CGEDMO CCCCC[N@@H+](C)CCc1nc(-c2cccc(C#N)c2)no1 ZINC001248945010 805054877 /nfs/dbraw/zinc/05/48/77/805054877.db2.gz LAIICSZJNRVELO-UHFFFAOYSA-N 1 1 298.390 3.273 20 30 CGEDMO C=CCOc1ccc(-c2noc([C@H]([NH3+])CCC)n2)c(F)c1 ZINC001248947801 805055036 /nfs/dbraw/zinc/05/50/36/805055036.db2.gz CCPMTXVTIFPPOI-CYBMUJFWSA-N 1 1 291.326 3.240 20 30 CGEDMO CC[N@H+]1CCCC[C@H]1c1nc(-c2ccc(C#N)c(C)c2)no1 ZINC001248962761 805060487 /nfs/dbraw/zinc/06/04/87/805060487.db2.gz GFXKDJMCIVUMJQ-HNNXBMFYSA-N 1 1 296.374 3.464 20 30 CGEDMO Cc1cc(-c2noc([C@H]3CC[N@@H+]3C(C)(C)C)n2)ccc1C#N ZINC001249235259 805118646 /nfs/dbraw/zinc/11/86/46/805118646.db2.gz NXCOPOQWDVFXEH-CQSZACIVSA-N 1 1 296.374 3.462 20 30 CGEDMO Cc1cc(-c2noc([C@H]3CC[N@H+]3C(C)(C)C)n2)ccc1C#N ZINC001249235259 805118649 /nfs/dbraw/zinc/11/86/49/805118649.db2.gz NXCOPOQWDVFXEH-CQSZACIVSA-N 1 1 296.374 3.462 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC2(CN(C(=O)/C(C)=C\C)C2)C1 ZINC001147312115 805120568 /nfs/dbraw/zinc/12/05/68/805120568.db2.gz XXDNGNCIDJZRHU-BNCCVWRVSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC2(C1)CC[N@H+](CCC(C)C)C2 ZINC001147652365 805141272 /nfs/dbraw/zinc/14/12/72/805141272.db2.gz GJTSEPYTWBCIMH-UHFFFAOYSA-N 1 1 292.467 3.169 20 30 CGEDMO C[N@@H+](CCc1ccncc1)Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249429349 805146400 /nfs/dbraw/zinc/14/64/00/805146400.db2.gz YCFADUFCUCGNQH-UHFFFAOYSA-N 1 1 290.370 3.109 20 30 CGEDMO CCO[C@H]1CCC[N@@H+](Cc2cc3ccc(C#N)cc3[nH]2)C1 ZINC001249429247 805147126 /nfs/dbraw/zinc/14/71/26/805147126.db2.gz SZJFMEUEAYSMSS-INIZCTEOSA-N 1 1 283.375 3.040 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(CN(C(=O)C(C)(C)C(=C)C)C2)C1 ZINC001148023926 805160219 /nfs/dbraw/zinc/16/02/19/805160219.db2.gz DYCPMUUGXMDYFF-UHFFFAOYSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC2(C1)CC[N@H+](CC/C=C\CC)C2 ZINC001148024376 805160414 /nfs/dbraw/zinc/16/04/14/805160414.db2.gz JZXQCIYKUJFCHJ-FPLPWBNLSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@@H+]1CCC2(CN(C(=O)C(CCC)CCC)C2)C1 ZINC001148174326 805166766 /nfs/dbraw/zinc/16/67/66/805166766.db2.gz JDMJFAGGAABVED-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H](C)C(C)C)C2)C1 ZINC001148371806 805176992 /nfs/dbraw/zinc/17/69/92/805176992.db2.gz PHHVEUHAAUOZGG-HOTGVXAUSA-N 1 1 292.467 3.168 20 30 CGEDMO Cc1cccc(Nc2cc[nH+]cc2C(F)(F)F)c1C#N ZINC001249586241 805181933 /nfs/dbraw/zinc/18/19/33/805181933.db2.gz AAUCVVRQLMQAOL-UHFFFAOYSA-N 1 1 277.249 3.446 20 30 CGEDMO N#Cc1ncc(Cl)cc1Nc1cc[nH+]cc1C(F)(F)F ZINC001249587377 805183489 /nfs/dbraw/zinc/18/34/89/805183489.db2.gz SHQCBLKGHBOCEB-UHFFFAOYSA-N 1 1 298.655 3.186 20 30 CGEDMO N#Cc1cccc(F)c1Nc1cc[nH+]cc1C(F)(F)F ZINC001249587363 805183600 /nfs/dbraw/zinc/18/36/00/805183600.db2.gz RGMINGCDXBZXPN-UHFFFAOYSA-N 1 1 281.212 3.277 20 30 CGEDMO Cc1cccc(C#N)c1Nc1cc[nH+]cc1C(F)(F)F ZINC001249593092 805185108 /nfs/dbraw/zinc/18/51/08/805185108.db2.gz MFWTVYRAZFUWPD-UHFFFAOYSA-N 1 1 277.249 3.446 20 30 CGEDMO N#Cc1ccc(Nc2cc[nH+]cc2C(F)(F)F)c(C#N)c1 ZINC001249594063 805185682 /nfs/dbraw/zinc/18/56/82/805185682.db2.gz MSXNLBALTDDZFJ-UHFFFAOYSA-N 1 1 288.232 3.009 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](F)CC2)c1F ZINC001249671992 805208929 /nfs/dbraw/zinc/20/89/29/805208929.db2.gz JJXJUPJVORFYND-ZDUSSCGKSA-N 1 1 250.292 3.021 20 30 CGEDMO C=CCOC(=O)c1ccccc1Nc1c[nH+]c(N)c(C)c1 ZINC001249790332 805247158 /nfs/dbraw/zinc/24/71/58/805247158.db2.gz IQGVSMXETOMRBE-UHFFFAOYSA-N 1 1 283.331 3.059 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)/C(C)=C\CC ZINC001152160067 805336921 /nfs/dbraw/zinc/33/69/21/805336921.db2.gz PMEIGFMULBITJZ-QKXCFHHRSA-N 1 1 266.429 3.136 20 30 CGEDMO C#CCCCCC(=O)NC[C@@H](C)[N@H+](CC)CCCCC ZINC001152841551 805372593 /nfs/dbraw/zinc/37/25/93/805372593.db2.gz FBKRNRCUPCZCHX-MRXNPFEDSA-N 1 1 280.456 3.197 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1cc(C)cs1 ZINC001153197529 805387486 /nfs/dbraw/zinc/38/74/86/805387486.db2.gz JFFTXDJSOASWRG-CYBMUJFWSA-N 1 1 280.437 3.073 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)C(=C)C ZINC001154584649 805464938 /nfs/dbraw/zinc/46/49/38/805464938.db2.gz RDGBHKUVGDEFCM-OAHLLOKOSA-N 1 1 280.456 3.382 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)CCCC ZINC001154588614 805464958 /nfs/dbraw/zinc/46/49/58/805464958.db2.gz NQVWSPVMWXFDTL-CQSZACIVSA-N 1 1 268.445 3.215 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC1(C)C ZINC001154694050 805478956 /nfs/dbraw/zinc/47/89/56/805478956.db2.gz YLNILVDYIAIQAR-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1cccc(Cl)c1F ZINC001154973013 805516940 /nfs/dbraw/zinc/51/69/40/805516940.db2.gz GGTSNGYDAZTMJS-LLVKDONJSA-N 1 1 298.789 3.105 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H](C)[N@H+](CC)C[C@@H](F)CC)CCC1 ZINC001155062122 805531255 /nfs/dbraw/zinc/53/12/55/805531255.db2.gz XKLAASNMDSOKHC-CABCVRRESA-N 1 1 298.446 3.308 20 30 CGEDMO C[C@@H]1C[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)CCO1 ZINC001257016752 807028249 /nfs/dbraw/zinc/02/82/49/807028249.db2.gz IECHMUNNDLYJJL-RWBZWWBESA-N 1 1 284.403 3.305 20 30 CGEDMO C=CCOC(=O)N1CCC[C@]2(CC[N@H+](C(CC)CC)C2)C1 ZINC001257294469 807091152 /nfs/dbraw/zinc/09/11/52/807091152.db2.gz NWVLNDARLDAZKM-QGZVFWFLSA-N 1 1 294.439 3.286 20 30 CGEDMO C=CCN1C(=O)CCC[C@@]12CCC[N@H+]([C@@H](C)CCC)C2 ZINC001257316444 807103619 /nfs/dbraw/zinc/10/36/19/807103619.db2.gz DJKVIRXIOYLLGB-RDJZCZTQSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+]([C@H](C)CCC)C2)C1 ZINC001257317236 807103773 /nfs/dbraw/zinc/10/37/73/807103773.db2.gz VCDCHVLVKSRIIV-WBVHZDCISA-N 1 1 294.439 3.286 20 30 CGEDMO C=CCOC[C@]12CCCO[C@H]1CC[N@H+]([C@@H](C)CCC)C2 ZINC001257318631 807104296 /nfs/dbraw/zinc/10/42/96/807104296.db2.gz GBTGFZLJTUWRQH-YESZJQIVSA-N 1 1 281.440 3.249 20 30 CGEDMO Cc1cccc(CCN(C)c2ccc(CC#N)c(C)[nH+]2)c1 ZINC001166825367 807107618 /nfs/dbraw/zinc/10/76/18/807107618.db2.gz TVPNRWDBDVNHLB-UHFFFAOYSA-N 1 1 279.387 3.443 20 30 CGEDMO CC[C@@H](C)[N@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001257443565 807160039 /nfs/dbraw/zinc/16/00/39/807160039.db2.gz OLCSZMMKTKVQCE-UKRRQHHQSA-N 1 1 258.365 3.200 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1c1ccc(NC2CC(=O)C2)cc1 ZINC001167348111 807184732 /nfs/dbraw/zinc/18/47/32/807184732.db2.gz PVFCYLMRYVKZOW-KRWDZBQOSA-N 1 1 270.376 3.153 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCC(C)=O)cc1 ZINC001167631515 807220276 /nfs/dbraw/zinc/22/02/76/807220276.db2.gz CQSZOQVDXATJJO-MRXNPFEDSA-N 1 1 258.365 3.010 20 30 CGEDMO N#Cc1ccccc1CNc1[nH+]cccc1C1CCOCC1 ZINC001167634013 807221061 /nfs/dbraw/zinc/22/10/61/807221061.db2.gz DJQZZOOKAKZPME-UHFFFAOYSA-N 1 1 293.370 3.459 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCCNc1cc(C#N)ccc1F ZINC001167751737 807240545 /nfs/dbraw/zinc/24/05/45/807240545.db2.gz MPGLCOVWCGTFRE-ZDUSSCGKSA-N 1 1 275.371 3.374 20 30 CGEDMO C=CC[C@@H]([NH2+]C1CCC(c2ccccc2)CC1)C(=O)OC ZINC001257993349 807260680 /nfs/dbraw/zinc/26/06/80/807260680.db2.gz MXTSQGARWFBADZ-OFLPRAFFSA-N 1 1 287.403 3.420 20 30 CGEDMO C#CC1([NH2+]C2CCN(CC(C)C)CC2)CCCCC1 ZINC001258008843 807264648 /nfs/dbraw/zinc/26/46/48/807264648.db2.gz GWIGISYRFTZVNI-UHFFFAOYSA-N 1 1 262.441 3.033 20 30 CGEDMO C#CC1(NC2CC[NH+](CC(C)C)CC2)CCCCC1 ZINC001258008843 807264656 /nfs/dbraw/zinc/26/46/56/807264656.db2.gz GWIGISYRFTZVNI-UHFFFAOYSA-N 1 1 262.441 3.033 20 30 CGEDMO CCCCCCC[C@H](C)n1c(C)ncc(C[NH3+])c1=N ZINC001258038665 807270026 /nfs/dbraw/zinc/27/00/26/807270026.db2.gz CFBKPVSNXJVDCF-LBPRGKRZSA-N 1 1 264.417 3.051 20 30 CGEDMO CCCCCCC[C@@H](C)[N@@H+]1CCn2c(CC)nnc2C1 ZINC001258049515 807275896 /nfs/dbraw/zinc/27/58/96/807275896.db2.gz JSYSGXBBMAWFEH-CQSZACIVSA-N 1 1 278.444 3.405 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1CCn2c(CC)nnc2C1 ZINC001258049515 807275900 /nfs/dbraw/zinc/27/59/00/807275900.db2.gz JSYSGXBBMAWFEH-CQSZACIVSA-N 1 1 278.444 3.405 20 30 CGEDMO CCCCCCCC[N@@H+](CCN)[C@@H]1CCO[C@@H](C)C1 ZINC001168087478 807307426 /nfs/dbraw/zinc/30/74/26/807307426.db2.gz LWKOREOLXYTOFK-JKSUJKDBSA-N 1 1 270.461 3.175 20 30 CGEDMO CCCCCCCCN(CC[NH3+])[C@@H]1CCO[C@@H](C)C1 ZINC001168087478 807307435 /nfs/dbraw/zinc/30/74/35/807307435.db2.gz LWKOREOLXYTOFK-JKSUJKDBSA-N 1 1 270.461 3.175 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@H+](C3CCC(C)CC3)C2)C1=O ZINC001168211709 807351000 /nfs/dbraw/zinc/35/10/00/807351000.db2.gz HTZFNVYMAAUCKK-HTWSVDAQSA-N 1 1 290.451 3.066 20 30 CGEDMO C[N@H+]1CCCC[C@@H]1c1ccc(NCCCCC#N)nc1 ZINC001168429210 807412510 /nfs/dbraw/zinc/41/25/10/807412510.db2.gz NECUFNIJTRKEFJ-OAHLLOKOSA-N 1 1 272.396 3.344 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@H](C)CCc2ccc(OC)cc2)C1 ZINC001258408954 807442745 /nfs/dbraw/zinc/44/27/45/807442745.db2.gz PGDMYPRKWPYRRW-CVEARBPZSA-N 1 1 271.404 3.362 20 30 CGEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+]([C@@H](C)CC1CC1)C2 ZINC001258461404 807463719 /nfs/dbraw/zinc/46/37/19/807463719.db2.gz PAUJJKCGATZTOI-CGTJXYLNSA-N 1 1 293.451 3.249 20 30 CGEDMO C#CC[N@H+]([C@H](C)CCC(=O)OCC)[C@@H]1CCc2ccccc21 ZINC001258494826 807479092 /nfs/dbraw/zinc/47/90/92/807479092.db2.gz BQWDDISFSKGIEB-CRAIPNDOSA-N 1 1 299.414 3.341 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](C2CCN(c3ccccc3)CC2)C1 ZINC001258514444 807482882 /nfs/dbraw/zinc/48/28/82/807482882.db2.gz JOZZXZPGZVRSBD-MRXNPFEDSA-N 1 1 283.419 3.281 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)C(=O)OCC ZINC001258689547 807545970 /nfs/dbraw/zinc/54/59/70/807545970.db2.gz GLQIYFHECKSZBA-VMUDFCTBSA-N 1 1 279.424 3.299 20 30 CGEDMO C=CCC[C@H](C)[NH+]1CCC(N)(c2ccc(OC)cc2)CC1 ZINC001258724284 807572215 /nfs/dbraw/zinc/57/22/15/807572215.db2.gz SPSOOOHMYVTYKY-HNNXBMFYSA-N 1 1 288.435 3.300 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC001258728426 807574624 /nfs/dbraw/zinc/57/46/24/807574624.db2.gz OUHSPTQFLWBPTP-HYVNUMGLSA-N 1 1 259.393 3.019 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(c2ncccc2C)CC1 ZINC001258730997 807577723 /nfs/dbraw/zinc/57/77/23/807577723.db2.gz SYTTYFTVTNBXRI-INIZCTEOSA-N 1 1 273.424 3.257 20 30 CGEDMO C=CCC[C@@H](C)[NH+]1CCN(CC2CCCC2)CC1 ZINC001258735461 807580383 /nfs/dbraw/zinc/58/03/83/807580383.db2.gz UZQCNHWEEWMFOA-OAHLLOKOSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCc2ccc(C(=O)OC)cc2C1 ZINC001258734634 807580641 /nfs/dbraw/zinc/58/06/41/807580641.db2.gz HCSNDPCMUNIQJR-ZDUSSCGKSA-N 1 1 273.376 3.186 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CCC[C@H](C(=O)OCC)[C@H]1C ZINC001258734672 807581133 /nfs/dbraw/zinc/58/11/33/807581133.db2.gz HXOPBFVGJBCAQJ-MJBXVCDLSA-N 1 1 253.386 3.005 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)CC(=O)N(CC)CC ZINC001169483759 807650939 /nfs/dbraw/zinc/65/09/39/807650939.db2.gz GBCRYXYCFLMCRB-INIZCTEOSA-N 1 1 288.435 3.322 20 30 CGEDMO CC[N@H+]1CCC[C@@H](CNc2c(Cl)cccc2C#N)C1 ZINC001261647901 807772317 /nfs/dbraw/zinc/77/23/17/807772317.db2.gz LRVDYHWWLXYRAO-LBPRGKRZSA-N 1 1 277.799 3.355 20 30 CGEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCCC(=O)CC2)CC1 ZINC001170383882 807832346 /nfs/dbraw/zinc/83/23/46/807832346.db2.gz RMJJGZGAGIKJJX-UHFFFAOYSA-N 1 1 296.414 3.446 20 30 CGEDMO N#CC1CCC(C[N@@H+]2CCC[C@H](OC(F)F)C2)CC1 ZINC001262253222 807840564 /nfs/dbraw/zinc/84/05/64/807840564.db2.gz LFPUSQPWUPYEMP-BPCQOVAHSA-N 1 1 272.339 3.020 20 30 CGEDMO Cc1[nH+]c2ccccn2c1NC1=CC[C@@H](C#N)CC1 ZINC001212856929 815161206 /nfs/dbraw/zinc/16/12/06/815161206.db2.gz WPHNNGDBELQBNT-GFCCVEGCSA-N 1 1 252.321 3.262 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)C1CC(F)(F)C1 ZINC001171203465 808009000 /nfs/dbraw/zinc/00/90/00/808009000.db2.gz MLVVPOAWXZGJAX-LLVKDONJSA-N 1 1 264.319 3.219 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001171221425 808010699 /nfs/dbraw/zinc/01/06/99/808010699.db2.gz NCJMBRWOXAIRHE-HNNXBMFYSA-N 1 1 289.382 3.493 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCn2cccc2[C@@H]1C ZINC001171223913 808011957 /nfs/dbraw/zinc/01/19/57/808011957.db2.gz OGGYRFPYRYISAD-CABCVRRESA-N 1 1 279.387 3.368 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCn2cccc2[C@@H]1C ZINC001171223913 808011966 /nfs/dbraw/zinc/01/19/66/808011966.db2.gz OGGYRFPYRYISAD-CABCVRRESA-N 1 1 279.387 3.368 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCc2occc2C1 ZINC001171229306 808014623 /nfs/dbraw/zinc/01/46/23/808014623.db2.gz LQBNNUJFMRHFHG-ZDUSSCGKSA-N 1 1 266.344 3.141 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)CCC(C)(C)C)[C@H]1CC ZINC001264067977 808032607 /nfs/dbraw/zinc/03/26/07/808032607.db2.gz YHPSDHQEEJCQAF-OWCLPIDISA-N 1 1 292.467 3.051 20 30 CGEDMO C=CCOc1ccccc1[C@H](C)Nc1cc[nH+]c(OC)c1N ZINC001171373034 808037208 /nfs/dbraw/zinc/03/72/08/808037208.db2.gz PBQUMIHPBHEMSP-LBPRGKRZSA-N 1 1 299.374 3.410 20 30 CGEDMO N#C[C@H]1CCC[N@H+]([C@@H]2CCc3c(F)cc(F)cc3C2)CC1 ZINC001171382715 808040078 /nfs/dbraw/zinc/04/00/78/808040078.db2.gz CYIVQXUHVGLZHR-SWLSCSKDSA-N 1 1 290.357 3.448 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@H]1C[N@H+](C)CC[C@H](C)F ZINC001264180646 808043978 /nfs/dbraw/zinc/04/39/78/808043978.db2.gz LLQGXSFRWOYYIG-GJZGRUSLSA-N 1 1 284.419 3.014 20 30 CGEDMO CC#CCCCC(=O)N(C)C[C@H]1CC[N@H+]1CCC(C)(C)C ZINC001264369468 808060908 /nfs/dbraw/zinc/06/09/08/808060908.db2.gz WZQWJJMPNIUCOH-MRXNPFEDSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CC1(C)CC1 ZINC001264367108 808061419 /nfs/dbraw/zinc/06/14/19/808061419.db2.gz RPBRDBHGAHUWMU-GJZGRUSLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C=C(C)C)C1 ZINC001264442173 808072024 /nfs/dbraw/zinc/07/20/24/808072024.db2.gz NSNOOAWDKCTEKK-ZWKOTPCHSA-N 1 1 298.430 3.113 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2(CCCC)CC2)[C@H]1C ZINC001264717364 808087562 /nfs/dbraw/zinc/08/75/62/808087562.db2.gz AEDQMWLOMHZYNH-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)C[C@@H](CC)CCCC)[C@H]1C ZINC001264711268 808088383 /nfs/dbraw/zinc/08/83/83/808088383.db2.gz BSDIRPAEMVGQME-IKGGRYGDSA-N 1 1 292.467 3.195 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](CCC)CC(C)C)[C@H]1C ZINC001264734907 808090174 /nfs/dbraw/zinc/09/01/74/808090174.db2.gz IZMPGQJCYQPYKK-IKGGRYGDSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CCCC[N@@H+](C)CCCNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001265015233 808103225 /nfs/dbraw/zinc/10/32/25/808103225.db2.gz HVCMRCHCNDUECV-BJWYYQGGSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2ccoc2C)C1 ZINC001265203924 808119050 /nfs/dbraw/zinc/11/90/50/808119050.db2.gz RPQYTYMAMGPMRJ-UKRRQHHQSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)CC2(C)CCCCC2)C1 ZINC001265293366 808126763 /nfs/dbraw/zinc/12/67/63/808126763.db2.gz YRKXBXBXFOUJLJ-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)c2cccs2)C1 ZINC001265303591 808128382 /nfs/dbraw/zinc/12/83/82/808128382.db2.gz LEIUZCWYLNRZIK-ZIAGYGMSSA-N 1 1 292.448 3.008 20 30 CGEDMO C=CC1(CC(=O)N[C@@H]2CC[N@H+](C(C)C)C2)CCCCC1 ZINC001265308708 808128527 /nfs/dbraw/zinc/12/85/27/808128527.db2.gz YSYQFQRMZGQXHH-OAHLLOKOSA-N 1 1 278.440 3.112 20 30 CGEDMO C#CCC[NH+]1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC001171740448 808129104 /nfs/dbraw/zinc/12/91/04/808129104.db2.gz FVDFSFZKBIKMDR-UHFFFAOYSA-N 1 1 283.202 3.139 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)c2cccs2)C1 ZINC001265303589 808129228 /nfs/dbraw/zinc/12/92/28/808129228.db2.gz LEIUZCWYLNRZIK-KGLIPLIRSA-N 1 1 292.448 3.008 20 30 CGEDMO C=CCN(CC=C)[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC001171761283 808131708 /nfs/dbraw/zinc/13/17/08/808131708.db2.gz CSYLIMHADDLDLE-SJLPKXTDSA-N 1 1 270.420 3.323 20 30 CGEDMO C=CCN(CC=C)[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC001171761284 808131955 /nfs/dbraw/zinc/13/19/55/808131955.db2.gz CSYLIMHADDLDLE-WMZOPIPTSA-N 1 1 270.420 3.323 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)C[C@H]2C=CCC2)C1 ZINC001265384944 808136680 /nfs/dbraw/zinc/13/66/80/808136680.db2.gz SHRGMGIPOBLLEM-IRXDYDNUSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)C[C@H](C)C2CC2)C1 ZINC001265401146 808139857 /nfs/dbraw/zinc/13/98/57/808139857.db2.gz KWYTZGVTMGFRIQ-JKSUJKDBSA-N 1 1 292.467 3.169 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](CC)CCCC)C1 ZINC001265575756 808155224 /nfs/dbraw/zinc/15/52/24/808155224.db2.gz LLDFGRUMSIPWGG-IRXDYDNUSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)C2(C)CCCCC2)C1 ZINC001265591392 808157986 /nfs/dbraw/zinc/15/79/86/808157986.db2.gz TYQSFUHMOKCJMZ-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO CC#CCCCC(=O)NC[C@H]1CCC[N@H+](C[C@@H](C)CC)C1 ZINC001265588600 808158031 /nfs/dbraw/zinc/15/80/31/808158031.db2.gz HOGXZFWXLRIAFI-DLBZAZTESA-N 1 1 292.467 3.054 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@](C)(F)CCCC)C1 ZINC001265587068 808158910 /nfs/dbraw/zinc/15/89/10/808158910.db2.gz VEFJNOXPKAEUCS-DOTOQJQBSA-N 1 1 298.446 3.309 20 30 CGEDMO CC1(C)C[C@@H](N2CC[C@H](C#N)C2)CC[N@H+]1Cc1ccccc1 ZINC001171987733 808164634 /nfs/dbraw/zinc/16/46/34/808164634.db2.gz IMLJVFWFDDDMRF-MSOLQXFVSA-N 1 1 297.446 3.275 20 30 CGEDMO CCCCCCC[N@@H+](CC)[C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172023868 808165991 /nfs/dbraw/zinc/16/59/91/808165991.db2.gz YLWQPTZFPSVSFG-MRXNPFEDSA-N 1 1 280.456 3.432 20 30 CGEDMO CCCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C#CC(C)(C)C)C1 ZINC001265702893 808170922 /nfs/dbraw/zinc/17/09/22/808170922.db2.gz JDIFNOCEYGZLRW-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO CC[C@@H](C#N)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172068799 808170947 /nfs/dbraw/zinc/17/09/47/808170947.db2.gz XRWJHRDXTFBQDT-OKYOBFRVSA-N 1 1 297.446 3.464 20 30 CGEDMO C=CC[N@H+](C)CCCNC(=O)c1ccc(CC(C)C)cc1 ZINC001265968549 808197631 /nfs/dbraw/zinc/19/76/31/808197631.db2.gz CPRNAMUBEXKLSE-UHFFFAOYSA-N 1 1 288.435 3.123 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]([N@H+](C)C[C@@H](C)CC)C1 ZINC001266102460 808211579 /nfs/dbraw/zinc/21/15/79/808211579.db2.gz KOBUIWFFZUSDNT-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@H]([N@@H+](C)CCC2CC2)C1 ZINC001266103442 808211748 /nfs/dbraw/zinc/21/17/48/808211748.db2.gz QJUIOWWMLNRAKS-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)CC=C(C)C)C1 ZINC001266107847 808213622 /nfs/dbraw/zinc/21/36/22/808213622.db2.gz KVNDFAGPPKKVLW-HNNXBMFYSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(Cl)C[N@@H+](CCCNC(=O)C1CC(C)(C)C1)C1CC1 ZINC001266132911 808217695 /nfs/dbraw/zinc/21/76/95/808217695.db2.gz OOPFXWYUIXIQRN-UHFFFAOYSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@H+](CCCNC(=O)C1CC(C)(C)C1)C1CC1 ZINC001266132911 808217700 /nfs/dbraw/zinc/21/77/00/808217700.db2.gz OOPFXWYUIXIQRN-UHFFFAOYSA-N 1 1 298.858 3.146 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1O ZINC001172311768 808223532 /nfs/dbraw/zinc/22/35/32/808223532.db2.gz XQTZNMJLVMVPIK-CQSZACIVSA-N 1 1 280.371 3.327 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCC(F)(F)[C@@H](F)C1 ZINC001172315152 808225900 /nfs/dbraw/zinc/22/59/00/808225900.db2.gz NUHPNNUBWCFMEF-RISCZKNCSA-N 1 1 282.309 3.168 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC(F)(F)[C@@H](F)C1 ZINC001172315152 808225907 /nfs/dbraw/zinc/22/59/07/808225907.db2.gz NUHPNNUBWCFMEF-RISCZKNCSA-N 1 1 282.309 3.168 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC=CCC1 ZINC001266198243 808226403 /nfs/dbraw/zinc/22/64/03/808226403.db2.gz BYUKILXZTJLNDM-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)c2cccs2)C1 ZINC001266200590 808226829 /nfs/dbraw/zinc/22/68/29/808226829.db2.gz OXDHOPRSFBGVCJ-UONOGXRCSA-N 1 1 292.448 3.297 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC=CCC1 ZINC001266198242 808227116 /nfs/dbraw/zinc/22/71/16/808227116.db2.gz BYUKILXZTJLNDM-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)c1ccsc1C ZINC001266215139 808228110 /nfs/dbraw/zinc/22/81/10/808228110.db2.gz IIAPMXWHTKGOON-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO Cc1cc2c(cn1)C[N@H+]([C@@H](C)Cc1ccc(C#N)cc1)C2 ZINC001172318822 808228605 /nfs/dbraw/zinc/22/86/05/808228605.db2.gz JJCKIHIZKGIIAQ-AWEZNQCLSA-N 1 1 277.371 3.209 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1CCC[N@@H+](CCC(C)C)C1 ZINC001266237238 808231730 /nfs/dbraw/zinc/23/17/30/808231730.db2.gz RQJDODDVYDSUFT-JKSUJKDBSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C1CCC(C(=O)NCC[N@H+](C)CC2=CCCCC2)CC1 ZINC001266321039 808241259 /nfs/dbraw/zinc/24/12/59/808241259.db2.gz PWQPKZAJMUSHIP-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)c1ccc(Cl)c(F)c1 ZINC001266330286 808242688 /nfs/dbraw/zinc/24/26/88/808242688.db2.gz UVBYQUNKDCOKII-UHFFFAOYSA-N 1 1 298.789 3.107 20 30 CGEDMO CC#CCCCC(=O)N[C@H]1CC[N@H+](CC/C=C\CCC)C1 ZINC001266336356 808244182 /nfs/dbraw/zinc/24/41/82/808244182.db2.gz ODQFWGLRHUESIH-KMDWOBIYSA-N 1 1 290.451 3.117 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)c2c(C)cccc2C)C1 ZINC001266345219 808246001 /nfs/dbraw/zinc/24/60/01/808246001.db2.gz PYMBREIKWKSIEC-INIZCTEOSA-N 1 1 286.419 3.074 20 30 CGEDMO CCCCCCC[C@@H](CC)[NH2+]CCNC(=O)C(F)(F)F ZINC001172347112 808246078 /nfs/dbraw/zinc/24/60/78/808246078.db2.gz RJHZHSMYXJZMMQ-GFCCVEGCSA-N 1 1 296.377 3.394 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)c1ccc(C2CC2)cc1 ZINC001266359807 808247801 /nfs/dbraw/zinc/24/78/01/808247801.db2.gz GFWIKURQZUQCSB-UHFFFAOYSA-N 1 1 286.419 3.192 20 30 CGEDMO C=CC[N@@H+](CC)CCNC(=O)c1ccc(C(C)(F)F)cc1 ZINC001266444338 808265296 /nfs/dbraw/zinc/26/52/96/808265296.db2.gz YYONBNHVBGSVLB-UHFFFAOYSA-N 1 1 296.361 3.036 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)C2CCCCCC2)C1 ZINC001266452356 808267181 /nfs/dbraw/zinc/26/71/81/808267181.db2.gz NDVKRQYPPJLILS-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C#CCCCCC(=O)NC[C@@H]1CCC[N@@H+]1CCC(C)(C)C ZINC001266457648 808269139 /nfs/dbraw/zinc/26/91/39/808269139.db2.gz LQDTXKLCUOHCBD-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H](C)CC ZINC001266839458 808321268 /nfs/dbraw/zinc/32/12/68/808321268.db2.gz BAKWSADSIOQMAB-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@H]1CCCC[N@@H+]1C/C=C\Cl ZINC001266853646 808325180 /nfs/dbraw/zinc/32/51/80/808325180.db2.gz PYAWLLXBRYTOOZ-LUXYIKNCSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@H]1CCCC[N@H+]1C/C=C\Cl ZINC001266853646 808325184 /nfs/dbraw/zinc/32/51/84/808325184.db2.gz PYAWLLXBRYTOOZ-LUXYIKNCSA-N 1 1 298.858 3.312 20 30 CGEDMO CCCCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C#CC(C)C)C1 ZINC001266890095 808330826 /nfs/dbraw/zinc/33/08/26/808330826.db2.gz ISSKQHVXQHVETB-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CCCC2CC2)C1 ZINC001266893171 808332309 /nfs/dbraw/zinc/33/23/09/808332309.db2.gz BAHGLYFHRGQFKC-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO CCOC(=O)[C@]1(C)CCCC[N@H+]([C@H](C)CCCC#N)C1 ZINC001172492261 808351302 /nfs/dbraw/zinc/35/13/02/808351302.db2.gz JULVLZJYTNXWER-GDBMZVCRSA-N 1 1 280.412 3.124 20 30 CGEDMO C[C@H](CCCC#N)[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001172499992 808355497 /nfs/dbraw/zinc/35/54/97/808355497.db2.gz IAHOMZLFMNPNFE-ZIAGYGMSSA-N 1 1 295.427 3.010 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](CC)SC)C1 ZINC001267101989 808358456 /nfs/dbraw/zinc/35/84/56/808358456.db2.gz AXNBEESNBXQQOT-GJZGRUSLSA-N 1 1 298.496 3.017 20 30 CGEDMO CCCCCCCC[C@@H](CC)[N@H+]1CCCNC(=O)C1 ZINC001172504521 808360897 /nfs/dbraw/zinc/36/08/97/808360897.db2.gz FTYMNJVPMWSUFC-OAHLLOKOSA-N 1 1 268.445 3.338 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001172503993 808360983 /nfs/dbraw/zinc/36/09/83/808360983.db2.gz DHKYCXWSWUKYEL-QRQLOZEOSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@H](CCCC#N)N1C[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C1 ZINC001172503993 808360990 /nfs/dbraw/zinc/36/09/90/808360990.db2.gz DHKYCXWSWUKYEL-QRQLOZEOSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@H](CCCC#N)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001172503993 808361000 /nfs/dbraw/zinc/36/10/00/808361000.db2.gz DHKYCXWSWUKYEL-QRQLOZEOSA-N 1 1 297.446 3.275 20 30 CGEDMO Cc1cccc(O[C@H]2CCC[N@H+]([C@H](C)CCCC#N)C2)n1 ZINC001172506660 808361959 /nfs/dbraw/zinc/36/19/59/808361959.db2.gz YQPRUVQXFZGMEN-CVEARBPZSA-N 1 1 287.407 3.316 20 30 CGEDMO CCCCCCC[C@H](CCC)[N@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC001172508909 808366607 /nfs/dbraw/zinc/36/66/07/808366607.db2.gz QMCCSQNWBZWLER-YESZJQIVSA-N 1 1 285.472 3.191 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1CCCNC(=O)C[C@H]1CC=CCC1 ZINC001267171916 808372806 /nfs/dbraw/zinc/37/28/06/808372806.db2.gz QVJCCFFGPKCUDT-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC(C)(C)C(=O)NCCC[C@H]1CCC[N@H+]1C/C=C/Cl ZINC001267170866 808374133 /nfs/dbraw/zinc/37/41/33/808374133.db2.gz APOHNDQHSMTEJM-RNVIBTMRSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001267195765 808378995 /nfs/dbraw/zinc/37/89/95/808378995.db2.gz MQOZEKMFCLFKPJ-LSDHHAIUSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)CCC(=O)NCC[N@H+](C)Cc1ccc(F)cc1C ZINC001267197110 808379698 /nfs/dbraw/zinc/37/96/98/808379698.db2.gz HATDCDMVUMLNPD-UHFFFAOYSA-N 1 1 292.398 3.038 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)C1(C2CCC2)CCC1 ZINC001267209064 808380678 /nfs/dbraw/zinc/38/06/78/808380678.db2.gz IJEIRQFKRSPCEN-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+](C)CCNC(=O)c1ccc(CCC)cc1 ZINC001267213900 808383310 /nfs/dbraw/zinc/38/33/10/808383310.db2.gz XZXCMIUAKWPVFA-UHFFFAOYSA-N 1 1 288.435 3.267 20 30 CGEDMO C=CCC[N@H+](CC)CCNC(=O)[C@@]1(C)CCC[C@@H]1CC ZINC001267245388 808395819 /nfs/dbraw/zinc/39/58/19/808395819.db2.gz GKRTWJDTVUZJIY-RDJZCZTQSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+]1CC/C=C/CC ZINC001267271828 808401380 /nfs/dbraw/zinc/40/13/80/808401380.db2.gz DBUIPOZNQLHRAU-KIUWMYQTSA-N 1 1 278.440 3.136 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)CCCCCC ZINC001267278751 808403476 /nfs/dbraw/zinc/40/34/76/808403476.db2.gz PPUDQSLXYKFUOP-IRXDYDNUSA-N 1 1 292.467 3.197 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@](C)(CC)CCCCC ZINC001267283672 808405154 /nfs/dbraw/zinc/40/51/54/808405154.db2.gz PQWVKKAIOOBFMB-AEFFLSMTSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC[N@H+]([C@H]1CCC[C@@H](C(=O)OC)C1)C(C)(C)C ZINC001172638821 808406070 /nfs/dbraw/zinc/40/60/70/808406070.db2.gz YXPJZJNNVFERIG-OLZOCXBDSA-N 1 1 253.386 3.005 20 30 CGEDMO C#CC[N@H+](CCCNC(=O)[C@H](C)CCC(C)(C)C)C(C)C ZINC001267335225 808417697 /nfs/dbraw/zinc/41/76/97/808417697.db2.gz ZDFIVGIVLOBRBL-MRXNPFEDSA-N 1 1 294.483 3.299 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)C[C@H]1CCCC[C@@H]1C)C1CC1 ZINC001267337679 808418015 /nfs/dbraw/zinc/41/80/15/808418015.db2.gz DVDZYAQXPUGQNO-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)c1ccoc1C(C)C)C(C)C ZINC001267340624 808419245 /nfs/dbraw/zinc/41/92/45/808419245.db2.gz OVWSXKCXGBTHKZ-UHFFFAOYSA-N 1 1 292.423 3.419 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)[C@@H]1CCC[C@@H](C)C1)C(C)C ZINC001267508133 808436458 /nfs/dbraw/zinc/43/64/58/808436458.db2.gz RSNLBLDPBKMHBJ-HZPDHXFCSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC(=O)N(CCC)[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001267538086 808443190 /nfs/dbraw/zinc/44/31/90/808443190.db2.gz MJJPLGDDFUVYAN-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC(C)(C)CC(=O)NCC[C@H]1CC[N@H+](CC(C)C)C1 ZINC001267558448 808446687 /nfs/dbraw/zinc/44/66/87/808446687.db2.gz APTPKDLWKQYYEY-HNNXBMFYSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCC[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC001267565877 808448340 /nfs/dbraw/zinc/44/83/40/808448340.db2.gz WQRGYTMQNHWCEV-FUHWJXTLSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC)CC(C)C)C1 ZINC001267592993 808453005 /nfs/dbraw/zinc/45/30/05/808453005.db2.gz AJOICTIXMHQQBR-SJORKVTESA-N 1 1 294.483 3.415 20 30 CGEDMO CC#CC[N@H+](C)CC1CCN(C(=O)C(C)(C)CCC)CC1 ZINC001267602917 808456306 /nfs/dbraw/zinc/45/63/06/808456306.db2.gz JBXPIISSVPCMHC-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)c2ccc(C)o2)C1 ZINC001267609449 808456782 /nfs/dbraw/zinc/45/67/82/808456782.db2.gz BRRMGDMHRAWBKB-UKRRQHHQSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)CCCC)C1 ZINC001267611538 808456987 /nfs/dbraw/zinc/45/69/87/808456987.db2.gz ZGUCDLJWPKPLJM-LSDHHAIUSA-N 1 1 266.429 3.112 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@](C)(F)CCCC)C1 ZINC001267614886 808458485 /nfs/dbraw/zinc/45/84/85/808458485.db2.gz DXKUPCNJZRYQML-WBVHZDCISA-N 1 1 298.446 3.452 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001267632594 808462942 /nfs/dbraw/zinc/46/29/42/808462942.db2.gz ZZHFZQGFWDRYSJ-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC[C@H](C[N@@H+](C)CCC2CC2)C1 ZINC001267671170 808469487 /nfs/dbraw/zinc/46/94/87/808469487.db2.gz RLIJQJAHMJULLB-DOTOQJQBSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)C2CCC=CCC2)C1 ZINC001267734412 808478081 /nfs/dbraw/zinc/47/80/81/808478081.db2.gz IAKSOXGUKXLAMY-WBVHZDCISA-N 1 1 290.451 3.278 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](NC(=O)c2ccoc2C)C1 ZINC001267736614 808480180 /nfs/dbraw/zinc/48/01/80/808480180.db2.gz HDWDMPZZDRVAJK-OAHLLOKOSA-N 1 1 292.423 3.363 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](N(C)C(=O)CCCC[C@@H](C)CC)C1 ZINC001267764338 808486566 /nfs/dbraw/zinc/48/65/66/808486566.db2.gz SRWFFQSZIFGQOB-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](CC)CC(C)C)C1 ZINC001267774989 808488226 /nfs/dbraw/zinc/48/82/26/808488226.db2.gz MNWQXZYRMMIMHJ-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C2(C)CC(=C)C2)C1 ZINC001267771278 808488869 /nfs/dbraw/zinc/48/88/69/808488869.db2.gz CRSQWWQWASSGNK-JKSUJKDBSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)C2CCCC2)C1 ZINC001267777833 808489929 /nfs/dbraw/zinc/48/99/29/808489929.db2.gz UIZZAOCGPCLWKC-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](N(CC)C(=O)CCCC[C@@H](C)CC)C1 ZINC001267787184 808492186 /nfs/dbraw/zinc/49/21/86/808492186.db2.gz XIBWYVHYTXMUPP-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO CCCCCC[N@H+]1CC[C@H](N(CC)C(=O)C#CC(C)C)C1 ZINC001267785963 808492543 /nfs/dbraw/zinc/49/25/43/808492543.db2.gz XVHSFHWHUCVMPK-KRWDZBQOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)/C=C(/C)C2CC2)C1 ZINC001267782040 808492667 /nfs/dbraw/zinc/49/26/67/808492667.db2.gz QAAIAXIXWUDDMX-AKMXKPQHSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)c1cccc(Cl)c1F ZINC001268247941 808567362 /nfs/dbraw/zinc/56/73/62/808567362.db2.gz WURQMIVAUQNUGF-UHFFFAOYSA-N 1 1 298.789 3.059 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]21 ZINC001268260458 808571081 /nfs/dbraw/zinc/57/10/81/808571081.db2.gz VKOLGVXAKKSUPG-ZWKOTPCHSA-N 1 1 298.430 3.189 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)C[C@H]1CCCC[C@@H]1C ZINC001268258351 808572085 /nfs/dbraw/zinc/57/20/85/808572085.db2.gz AYQYXYYBEJIDTO-JKSUJKDBSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]2CN(C(=O)CC3CCC3)CC[C@@H]21 ZINC001268264523 808573360 /nfs/dbraw/zinc/57/33/60/808573360.db2.gz UJVJKXBCINSWEB-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)CCCCC)CC[C@@H]21 ZINC001268264625 808573759 /nfs/dbraw/zinc/57/37/59/808573759.db2.gz UUANXKBRADTDKN-HOTGVXAUSA-N 1 1 278.440 3.066 20 30 CGEDMO CC[C@@H]1CC[C@H]([N@H+]2CCc3cc(C#N)ccc3C2)C1 ZINC001173275029 808578453 /nfs/dbraw/zinc/57/84/53/808578453.db2.gz SMZZGMPZFRRESM-DYVFJYSZSA-N 1 1 254.377 3.495 20 30 CGEDMO C=CCOC1CCC([N@@H+](C)C[C@H]2CC2(C)C)CC1 ZINC001173323722 808611857 /nfs/dbraw/zinc/61/18/57/808611857.db2.gz FPUAGZSXEFAJNH-WLYUNCDWSA-N 1 1 251.414 3.478 20 30 CGEDMO C=CCCCC(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(F)cc1 ZINC001268742765 808620500 /nfs/dbraw/zinc/62/05/00/808620500.db2.gz KZQLYKPWFJQTAY-CQSZACIVSA-N 1 1 292.398 3.119 20 30 CGEDMO Cc1cnccc1O[C@@H]1CC[N@H+](C2CCC(CC#N)CC2)C1 ZINC001173341527 808621444 /nfs/dbraw/zinc/62/14/44/808621444.db2.gz YOUYKGUWYILSHO-OFLPRAFFSA-N 1 1 299.418 3.316 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)C1CCC(C2CC2)CC1 ZINC001268755337 808623939 /nfs/dbraw/zinc/62/39/39/808623939.db2.gz WQJDLMCHHLQATC-OOHWJJMZSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCCCCCCCC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001268834016 808631647 /nfs/dbraw/zinc/63/16/47/808631647.db2.gz GDGHSTOXLZGJGI-DLBZAZTESA-N 1 1 292.467 3.456 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC23CCC3)C1 ZINC001269069414 808645479 /nfs/dbraw/zinc/64/54/79/808645479.db2.gz NNRGVPCXAOMSAU-HOTGVXAUSA-N 1 1 292.467 3.338 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CCC(F)(F)[C@@H](F)C2)CC1 ZINC001173593148 808649627 /nfs/dbraw/zinc/64/96/27/808649627.db2.gz DWLKCMCIDSEHPP-CXQJBGSLSA-N 1 1 260.303 3.138 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](NC(=O)C2(CF)CCC2)C1 ZINC001269172533 808651862 /nfs/dbraw/zinc/65/18/62/808651862.db2.gz PCXZEBRKDRJVIN-OAHLLOKOSA-N 1 1 298.446 3.287 20 30 CGEDMO CCCC[N@@H+](CC(=O)OCC)C1CCC(C)(C#N)CC1 ZINC001173601439 808652113 /nfs/dbraw/zinc/65/21/13/808652113.db2.gz UBRPXQVVQVHQTB-UHFFFAOYSA-N 1 1 280.412 3.124 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CC[C@H](Oc3ccccn3)C2)CC1 ZINC001173601551 808652645 /nfs/dbraw/zinc/65/26/45/808652645.db2.gz VNNXMPODBTYBPD-CKDBGZEDSA-N 1 1 285.391 3.007 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N(C)[C@H]1CC[N@H+](CC/C=C/CC)C1 ZINC001269274575 808664195 /nfs/dbraw/zinc/66/41/95/808664195.db2.gz MKQZJLBJJNHXPT-JBMMNVDBSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C)c1cccs1 ZINC001269293342 808665835 /nfs/dbraw/zinc/66/58/35/808665835.db2.gz WXDKNSMQYPADAK-ZIAGYGMSSA-N 1 1 292.448 3.008 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)CC(C)C ZINC001269330997 808670181 /nfs/dbraw/zinc/67/01/81/808670181.db2.gz HNLQEGJMQOOXFL-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO CCCCCCC[N@@H+](CC)[C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173758430 808670946 /nfs/dbraw/zinc/67/09/46/808670946.db2.gz DZDASMPEEHEICI-HZPDHXFCSA-N 1 1 293.459 3.449 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CCC ZINC001269584559 808690226 /nfs/dbraw/zinc/69/02/26/808690226.db2.gz ZIUAOSMOHHYJRC-OAGGEKHMSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@]1(C)CC[N@H+](C[C@H](C)CC)C1 ZINC001270590759 808737508 /nfs/dbraw/zinc/73/75/08/808737508.db2.gz RVJSALVETYXEDJ-CRAIPNDOSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@]1(C)CC[N@H+](CCC(=C)C)C1 ZINC001270589596 808737882 /nfs/dbraw/zinc/73/78/82/808737882.db2.gz ITVOGKBFNVOEDS-KRWDZBQOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCCCCCCC(=O)N1CC2(C1)CC[N@H+](C)C2 ZINC001270884517 808751005 /nfs/dbraw/zinc/75/10/05/808751005.db2.gz MYWBHQVCWJSXDM-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)CCCC(C)C)C1 ZINC001270991598 808757762 /nfs/dbraw/zinc/75/77/62/808757762.db2.gz PQFAIDWCSXJYSY-GOSISDBHSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[C@H]2C)CC1 ZINC001271759497 808781996 /nfs/dbraw/zinc/78/19/96/808781996.db2.gz QXOUSTHABNNWCT-NVXWUHKLSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)CCN(C)C(=O)/C(C)=C\CC ZINC001271969348 808790284 /nfs/dbraw/zinc/79/02/84/808790284.db2.gz HKBSKFVQIQVJOY-LTBFUDJGSA-N 1 1 266.429 3.088 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CC1 ZINC001272045165 808794956 /nfs/dbraw/zinc/79/49/56/808794956.db2.gz UJQNPRGNHLUKSM-JKSUJKDBSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)CC=C)CC[C@@H]21 ZINC001272223530 808801713 /nfs/dbraw/zinc/80/17/13/808801713.db2.gz GGURNRDFCXKWSB-HOTGVXAUSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(C)CN1CC[C@@]2(CCC[N@H+](C[C@H](C)CC)CC2)C1=O ZINC001272422488 808806841 /nfs/dbraw/zinc/80/68/41/808806841.db2.gz SDPSAMKFEFBLKA-AEFFLSMTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CN1CC[C@]2(CCC[N@@H+]2C[C@@H](C)CCC)C1=O ZINC001272432000 808808667 /nfs/dbraw/zinc/80/86/67/808808667.db2.gz YIJQZTTUYQIGFG-DOTOQJQBSA-N 1 1 278.440 3.066 20 30 CGEDMO CCCCCCCC[N@H+]1CCC[C@@]12CCN(C)C2=O ZINC001272478876 808811866 /nfs/dbraw/zinc/81/18/66/808811866.db2.gz RDNLOMTWQXAZOS-INIZCTEOSA-N 1 1 266.429 3.044 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@H+](CCCCCC)CC2)C1=O ZINC001272475411 808812221 /nfs/dbraw/zinc/81/22/21/808812221.db2.gz DTZSECBOHVAICL-GOSISDBHSA-N 1 1 292.467 3.457 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@]2(CCN(C)C2=O)CC1 ZINC001272478910 808813977 /nfs/dbraw/zinc/81/39/77/808813977.db2.gz SCKHYYKEPZPXMN-KRWDZBQOSA-N 1 1 280.456 3.291 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@]2(CCN(CCCC)C2=O)C1 ZINC001272699503 808822053 /nfs/dbraw/zinc/82/20/53/808822053.db2.gz LGNLUPTXTUKBFP-GOSISDBHSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CC[C@@]2(CCN(C)C2=O)C1 ZINC001272711521 808823169 /nfs/dbraw/zinc/82/31/69/808823169.db2.gz FKAJDIREIXCYSA-KRWDZBQOSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCC1CCCCC1 ZINC001272861467 808825882 /nfs/dbraw/zinc/82/58/82/808825882.db2.gz CIOUABLUDHKVMV-IAGOWNOFSA-N 1 1 290.451 3.208 20 30 CGEDMO N#Cc1ccc(Nc2cc[nH+]c3ccccc23)cc1F ZINC001174039841 808838017 /nfs/dbraw/zinc/83/80/17/808838017.db2.gz FRHNXPVTFPLLIX-UHFFFAOYSA-N 1 1 263.275 3.411 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC)CCCC)CC1 ZINC001273394367 808842315 /nfs/dbraw/zinc/84/23/15/808842315.db2.gz YMIDIETWXZVLNJ-IRXDYDNUSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C2(CC(C)C)CCC2)CC1 ZINC001273428151 808845473 /nfs/dbraw/zinc/84/54/73/808845473.db2.gz NHIZHNAVPIVEDS-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@@]12CC(=O)N(CCCC)C2 ZINC001273486103 808848336 /nfs/dbraw/zinc/84/83/36/808848336.db2.gz CCUPQFWXIXLGJR-KRWDZBQOSA-N 1 1 278.440 3.210 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)/C(C)=C\CC ZINC001273489129 808849005 /nfs/dbraw/zinc/84/90/05/808849005.db2.gz XDAPMXGEMUKUBV-DHDCSXOGSA-N 1 1 266.429 3.089 20 30 CGEDMO C#CCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[C@H]1CCC ZINC001273530572 808852174 /nfs/dbraw/zinc/85/21/74/808852174.db2.gz RRFBRBGVPONAAC-IAGOWNOFSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(C)CN1CC[C@@]2(CCC[N@@H+](CC(C)(C)C)CC2)C1=O ZINC001273532912 808852349 /nfs/dbraw/zinc/85/23/49/808852349.db2.gz QNLFHGGSRNLGMB-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)CCCCC(C)(C)C)C[C@H]1C ZINC001274623888 808879904 /nfs/dbraw/zinc/87/99/04/808879904.db2.gz NTAINPUYGXYKGB-HZPDHXFCSA-N 1 1 292.467 3.195 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](CCC(=C)C)[C@@H](C)C1 ZINC001274626577 808879948 /nfs/dbraw/zinc/87/99/48/808879948.db2.gz ZIMXEJSYDZVSLS-JKSUJKDBSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C2CC2)C[C@@H]1C ZINC001274644594 808881120 /nfs/dbraw/zinc/88/11/20/808881120.db2.gz QYOKDUYGRAZHFM-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO CCC[N@@H+](CC)CC1CCN(C(=O)C#CC(C)(C)C)CC1 ZINC001274950725 808894524 /nfs/dbraw/zinc/89/45/24/808894524.db2.gz UUSMKWKRCRCMKD-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)C1CCCCCCC1 ZINC001275122170 808912515 /nfs/dbraw/zinc/91/25/15/808912515.db2.gz WVZGOHXWXGHQSJ-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)CC(CC)CC ZINC001275151039 808917583 /nfs/dbraw/zinc/91/75/83/808917583.db2.gz SXBUFYVNBZHHTP-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CCC[N@H+](C)C[C@H](C)NC(=O)CCCCC(C)(C)C ZINC001275565101 808949356 /nfs/dbraw/zinc/94/93/56/808949356.db2.gz BCFSUDZBEWCPDE-HNNXBMFYSA-N 1 1 280.456 3.053 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)c1cccc(Cl)c1F ZINC001275637539 808954550 /nfs/dbraw/zinc/95/45/50/808954550.db2.gz KPWOJNWWUIGLNN-LLVKDONJSA-N 1 1 298.789 3.105 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)C[C@H](C)CC(C)(C)C ZINC001275936737 808978291 /nfs/dbraw/zinc/97/82/91/808978291.db2.gz VHJHQFOULBCVPJ-GJZGRUSLSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)CCCC)C(C)(C)C1 ZINC001276555612 809016534 /nfs/dbraw/zinc/01/65/34/809016534.db2.gz RJIMUVCDZYDZJW-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)/C=C\C(C)(C)C)C(C)(C)C1 ZINC001276569583 809017617 /nfs/dbraw/zinc/01/76/17/809017617.db2.gz ILBDHMLOEKYUMT-WWRUEGTHSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](C/C=C/Cl)CC1(C)C ZINC001276602370 809019782 /nfs/dbraw/zinc/01/97/82/809019782.db2.gz ZHOALFHDSNFACB-SBDDDAINSA-N 1 1 298.858 3.168 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C/C=C/Cl)CC1(C)C ZINC001276602370 809019787 /nfs/dbraw/zinc/01/97/87/809019787.db2.gz ZHOALFHDSNFACB-SBDDDAINSA-N 1 1 298.858 3.168 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CC[N@H+]1[C@H]1CCCc2ccccc21 ZINC001276802027 809034183 /nfs/dbraw/zinc/03/41/83/809034183.db2.gz WGENJCDYCIHIHL-WMZOPIPTSA-N 1 1 298.430 3.221 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC001276893053 809042359 /nfs/dbraw/zinc/04/23/59/809042359.db2.gz WNDGGKHDQSAVGA-SOLBZPMBSA-N 1 1 292.467 3.338 20 30 CGEDMO CCCCCCCNC(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001277330796 809070150 /nfs/dbraw/zinc/07/01/50/809070150.db2.gz QLDIYVIXSNFMBM-KRWDZBQOSA-N 1 1 295.471 3.084 20 30 CGEDMO C=CCCC[N@@H+](CC1CC1)C1CCN(C(=O)C2CC2)CC1 ZINC001277381780 809071196 /nfs/dbraw/zinc/07/11/96/809071196.db2.gz BMEYSYVMTGDRIC-UHFFFAOYSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC(=O)N1CCC([N@@H+](C)CC2CCCCC2)CC1 ZINC001277386000 809072987 /nfs/dbraw/zinc/07/29/87/809072987.db2.gz YLAMPHGWFWFZMR-UHFFFAOYSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC([N@@H+](C)CC(=C)Cl)CC1 ZINC001277429319 809074453 /nfs/dbraw/zinc/07/44/53/809074453.db2.gz LOOBDUJEZPVACU-UHFFFAOYSA-N 1 1 298.858 3.264 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)CCC)C2)C1 ZINC001277530586 809079127 /nfs/dbraw/zinc/07/91/27/809079127.db2.gz DRMNPOJGSZDKHX-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@H](C)C2CCC2)CC1 ZINC001278057459 809113975 /nfs/dbraw/zinc/11/39/75/809113975.db2.gz MJGXMCNFVQJRCK-CYBMUJFWSA-N 1 1 298.858 3.146 20 30 CGEDMO CCCCCCCCCCC[N@H+]1CC[C@H]2C[C@]21C(N)=O ZINC001278182210 809118211 /nfs/dbraw/zinc/11/82/11/809118211.db2.gz RCKDVAOIZPBDQQ-DOTOQJQBSA-N 1 1 280.456 3.467 20 30 CGEDMO COc1cc[nH+]c(Nc2cccc(C3(C#N)CC3)c2)c1 ZINC001213313670 815264027 /nfs/dbraw/zinc/26/40/27/815264027.db2.gz ASUUEVUDBVJFOD-UHFFFAOYSA-N 1 1 265.316 3.389 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@]2(NC(=O)CCC=C)CCC[C@@H]12 ZINC001278441171 809133544 /nfs/dbraw/zinc/13/35/44/809133544.db2.gz XJGOORZEERLTLO-WBVHZDCISA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C2(C)CC(=C)C2)[C@@H]1C ZINC001278521445 809139848 /nfs/dbraw/zinc/13/98/48/809139848.db2.gz NUTQKWIZKDAZAC-HOTGVXAUSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)/C=C(\C)CC)C1 ZINC001278659447 809149299 /nfs/dbraw/zinc/14/92/99/809149299.db2.gz UYURHFVGZLHCBS-IUYQLWOBSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)CCCC2CC2)C1 ZINC001278672321 809150382 /nfs/dbraw/zinc/15/03/82/809150382.db2.gz IRMSKFMMQSRXSI-GOSISDBHSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)[C@@H](C)C1CCC1)C(C)C ZINC001278912494 809154964 /nfs/dbraw/zinc/15/49/64/809154964.db2.gz RUMCOUDQEXGEFQ-HNNXBMFYSA-N 1 1 280.456 3.168 20 30 CGEDMO C#CC[N@H+](C)CCN(C(=O)CC1(C)CCCCC1)C(C)C ZINC001278912212 809155038 /nfs/dbraw/zinc/15/50/38/809155038.db2.gz MAYPRNRAAYVBBM-UHFFFAOYSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C(=O)[C@H](F)C(C)C)C(C)C ZINC001278918572 809155188 /nfs/dbraw/zinc/15/51/88/809155188.db2.gz RQDIGBATQUATLK-OAHLLOKOSA-N 1 1 286.435 3.116 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCCC1CC1 ZINC001279577536 809174869 /nfs/dbraw/zinc/17/48/69/809174869.db2.gz SZLSYJJCHRQRGZ-IRXDYDNUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@]1(C)C(=O)OC(C)(C)C ZINC001174874824 809184851 /nfs/dbraw/zinc/18/48/51/809184851.db2.gz VITCSJWYNLYFOO-OAHLLOKOSA-N 1 1 253.386 3.149 20 30 CGEDMO C=CCCC(=O)N(C)CCC[N@@H+](C)Cc1ccc(F)cc1 ZINC001280793849 809198837 /nfs/dbraw/zinc/19/88/37/809198837.db2.gz NQFJXKCHSAUYBJ-UHFFFAOYSA-N 1 1 292.398 3.072 20 30 CGEDMO CC#CC[N@@H+](C)CCCN(C)C(=O)C1CCC(C)(C)CC1 ZINC001280884327 809204282 /nfs/dbraw/zinc/20/42/82/809204282.db2.gz ZLQXANSCVKQJNS-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCCCC)C[C@@H]1C ZINC001281653696 809216345 /nfs/dbraw/zinc/21/63/45/809216345.db2.gz UMIFQWWSYKOPDR-KBPBESRZSA-N 1 1 286.847 3.288 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCCCC)C[C@@H]1C ZINC001281653696 809216347 /nfs/dbraw/zinc/21/63/47/809216347.db2.gz UMIFQWWSYKOPDR-KBPBESRZSA-N 1 1 286.847 3.288 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](CC2CCC2)[C@H](C)C1 ZINC001281666241 809216378 /nfs/dbraw/zinc/21/63/78/809216378.db2.gz WSDIZHORSXWMPG-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO CC#CCCCC(=O)N[C@H]1CC[N@@H+](CC=C(C)C)[C@H](C)C1 ZINC001281675580 809218270 /nfs/dbraw/zinc/21/82/70/809218270.db2.gz MMLSPXSQCZMJQB-SJORKVTESA-N 1 1 290.451 3.115 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)/C=C(/C)C1CC1 ZINC001281918013 809223408 /nfs/dbraw/zinc/22/34/08/809223408.db2.gz YPCRIEBAZBZOGS-LMRWQKIVSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)/C=C(/C)C1CC1 ZINC001281918013 809223411 /nfs/dbraw/zinc/22/34/11/809223411.db2.gz YPCRIEBAZBZOGS-LMRWQKIVSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)c1c(C)coc1C ZINC001281931322 809223786 /nfs/dbraw/zinc/22/37/86/809223786.db2.gz ACWLRRKQHKSDNP-OAHLLOKOSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)c1cc(C)co1 ZINC001281953575 809225633 /nfs/dbraw/zinc/22/56/33/809225633.db2.gz YPVYDSRITHUNGI-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CCC1(C(=O)N2CCC[C@@H]2C[N@H+](C)CC(=C)C)CCC1 ZINC001281957745 809227074 /nfs/dbraw/zinc/22/70/74/809227074.db2.gz UMQDETHBASRGEI-MRXNPFEDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)C(C)(C)CC ZINC001282449892 809247992 /nfs/dbraw/zinc/24/79/92/809247992.db2.gz PKLFBZCSZKVXGR-ZIAGYGMSSA-N 1 1 268.445 3.214 20 30 CGEDMO C#CCC[N@H+](C)[C@H](C)CNC(=O)c1cccc(C2CCC2)c1 ZINC001282479038 809249512 /nfs/dbraw/zinc/24/95/12/809249512.db2.gz XCFYLJXYYPXQGV-OAHLLOKOSA-N 1 1 298.430 3.028 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)c1cc(F)ccc1Cl ZINC001282468366 809249616 /nfs/dbraw/zinc/24/96/16/809249616.db2.gz LSTNAULZQHGCKV-LLVKDONJSA-N 1 1 298.789 3.105 20 30 CGEDMO C#CCC[N@H+](C)[C@H](C)CNC(=O)C[C@@H](C)C1CCCCC1 ZINC001282467290 809249928 /nfs/dbraw/zinc/24/99/28/809249928.db2.gz IACOQNZACQYDIX-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCCC(=O)N[C@H]1C[N@H+](CC2CC(C)C2)CC1(C)C ZINC001282820877 809263904 /nfs/dbraw/zinc/26/39/04/809263904.db2.gz FVQIDSQGYDJHDB-GPANFISMSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCCC)C[C@H]2C1 ZINC001282938036 809266923 /nfs/dbraw/zinc/26/69/23/809266923.db2.gz JBSHEJRWKGTECJ-KKUMJFAQSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)C[C@@H](C=C)CC)CC1 ZINC001283326587 809276680 /nfs/dbraw/zinc/27/66/80/809276680.db2.gz YTGFQOQTOUELTG-HNNXBMFYSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCCC(=O)N[C@]12CCC[C@@H]1[N@@H+](C[C@@H](F)CC)CC2 ZINC001284070329 809294832 /nfs/dbraw/zinc/29/48/32/809294832.db2.gz SKXJAUOFRKCCMP-ZOBUZTSGSA-N 1 1 296.430 3.204 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)CC)[C@H]1C ZINC001284133287 809298413 /nfs/dbraw/zinc/29/84/13/809298413.db2.gz VMNRDZGANZLKBM-HUUCEWRRSA-N 1 1 280.456 3.358 20 30 CGEDMO C#CCCCCCC[N@@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC001175513794 809435967 /nfs/dbraw/zinc/43/59/67/809435967.db2.gz WWNKGJITHKCQLJ-GOSISDBHSA-N 1 1 297.446 3.450 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)c1sccc1C(C)C ZINC001297378989 809516144 /nfs/dbraw/zinc/51/61/44/809516144.db2.gz LWEBZEVHFIHTGY-UHFFFAOYSA-N 1 1 294.464 3.451 20 30 CGEDMO C=CCC1(CNC(=O)[C@@H]2CCC[N@H+](C(C)C)C2)CCCC1 ZINC001297804529 809522929 /nfs/dbraw/zinc/52/29/29/809522929.db2.gz SHFHEGKMIGQKBN-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001176044939 809607740 /nfs/dbraw/zinc/60/77/40/809607740.db2.gz QIBPZSVXAPGURN-LBPRGKRZSA-N 1 1 288.819 3.070 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001176044939 809607743 /nfs/dbraw/zinc/60/77/43/809607743.db2.gz QIBPZSVXAPGURN-LBPRGKRZSA-N 1 1 288.819 3.070 20 30 CGEDMO C=CCCCCC[N@@H+]1CCN(C)C[C@@H]1CC(C)C ZINC001176432592 809695880 /nfs/dbraw/zinc/69/58/80/809695880.db2.gz PSBYKQHEWAMYMD-INIZCTEOSA-N 1 1 252.446 3.395 20 30 CGEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC001180280730 809989045 /nfs/dbraw/zinc/98/90/45/809989045.db2.gz MHNRXFAQDRYBMA-MAUKXSAKSA-N 1 1 283.419 3.389 20 30 CGEDMO C#Cc1ccc(C[N@@H+](C)CCOc2ccc(F)cc2)cc1 ZINC001180437591 810000774 /nfs/dbraw/zinc/00/07/74/810000774.db2.gz LOHAGFMDTWDFBP-UHFFFAOYSA-N 1 1 283.346 3.318 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cccc2c1OC(F)(F)O2 ZINC001180437426 810001009 /nfs/dbraw/zinc/00/10/09/810001009.db2.gz GHJGSKSCGXXQNL-UHFFFAOYSA-N 1 1 269.291 3.406 20 30 CGEDMO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1c(C#N)oc2ccccc21 ZINC001181993577 810088761 /nfs/dbraw/zinc/08/87/61/810088761.db2.gz MOMZUIDLYKBTHJ-CYBMUJFWSA-N 1 1 297.358 3.117 20 30 CGEDMO CC[N@H+]1CCCC[C@@H]1C(=O)Nc1c(C#N)oc2ccccc21 ZINC001181993577 810088762 /nfs/dbraw/zinc/08/87/62/810088762.db2.gz MOMZUIDLYKBTHJ-CYBMUJFWSA-N 1 1 297.358 3.117 20 30 CGEDMO C=CCCC[N@@H+](CC)Cc1c(Cl)ncn1CC ZINC001184187324 810180864 /nfs/dbraw/zinc/18/08/64/810180864.db2.gz DVIPUMKEISDHRM-UHFFFAOYSA-N 1 1 255.793 3.345 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1c(Cl)ncn1CC ZINC001184187324 810180867 /nfs/dbraw/zinc/18/08/67/810180867.db2.gz DVIPUMKEISDHRM-UHFFFAOYSA-N 1 1 255.793 3.345 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](CC)CCCC)[C@@H]2C1 ZINC001188616435 810494290 /nfs/dbraw/zinc/49/42/90/810494290.db2.gz DJNOXIMFHKQAHQ-IXDOHACOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)CCC2CCCC2)C1 ZINC001188702464 810505016 /nfs/dbraw/zinc/50/50/16/810505016.db2.gz QGABNXBQPNMEIQ-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)SC)C1 ZINC001189005587 810532652 /nfs/dbraw/zinc/53/26/52/810532652.db2.gz WBLXKBMPSHHMLS-HUUCEWRRSA-N 1 1 298.496 3.017 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CCSCC)C1 ZINC001189092503 810542882 /nfs/dbraw/zinc/54/28/82/810542882.db2.gz FVXHJYLMMLDCHH-HUUCEWRRSA-N 1 1 298.496 3.017 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)CCC)C1 ZINC001189287404 810555728 /nfs/dbraw/zinc/55/57/28/810555728.db2.gz DUOVFWYFMDQQDT-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC(=O)N1CC[C@@H]([N@@H+](C)CC2CC3(CCC3)C2)C1 ZINC001189318753 810557144 /nfs/dbraw/zinc/55/71/44/810557144.db2.gz OSUNIWQHMSIPJI-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]([N@H+](C)C[C@H](C)CC(C)C)C1 ZINC001189318884 810557660 /nfs/dbraw/zinc/55/76/60/810557660.db2.gz RVOYRXNZTRLHFL-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC(=O)N1CC[C@@H]([N@H+](C)CC2CCC(C)CC2)C1 ZINC001189311707 810557673 /nfs/dbraw/zinc/55/76/73/810557673.db2.gz VRUXSOVIXRWKJS-OFLPRAFFSA-N 1 1 292.467 3.312 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)/C=C\C2CC2)C1 ZINC001189539286 810576718 /nfs/dbraw/zinc/57/67/18/810576718.db2.gz ZEHYFVVNIDQGNO-QXPKXGMISA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C2CC(C)(C)C2)C1 ZINC001189944731 810596329 /nfs/dbraw/zinc/59/63/29/810596329.db2.gz SJTSYCZGCQPYMA-GDBMZVCRSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)CC2(C)CCCC2)C1 ZINC001189955863 810597922 /nfs/dbraw/zinc/59/79/22/810597922.db2.gz CZSHWHFTKUBPGP-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccsc2C)C1 ZINC001190014246 810603132 /nfs/dbraw/zinc/60/31/32/810603132.db2.gz KLFCGNSYEXFJEL-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)CCCCC)[C@@H]2C1 ZINC001190282804 810617368 /nfs/dbraw/zinc/61/73/68/810617368.db2.gz XBAAEGPXVGNAJD-IXDOHACOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]([N@@H+](C)CC2CCCC2)C1 ZINC001190429262 810628434 /nfs/dbraw/zinc/62/84/34/810628434.db2.gz ZGRVHAJNPNUTHT-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCOCC[N@@H+](CCc1ccccc1)CC(C)C ZINC001190549605 810634653 /nfs/dbraw/zinc/63/46/53/810634653.db2.gz CNDKKICFHJVZRY-UHFFFAOYSA-N 1 1 261.409 3.390 20 30 CGEDMO C=CC[N@H+](Cc1ccc(C(=O)OC)c2cccnc12)C(C)C ZINC001190589028 810635111 /nfs/dbraw/zinc/63/51/11/810635111.db2.gz JOAZNHAUPWQZIQ-UHFFFAOYSA-N 1 1 298.386 3.418 20 30 CGEDMO COCC[N@@H+](Cc1cc(C#N)ccn1)[C@H](C)c1ccccc1 ZINC001190635801 810639891 /nfs/dbraw/zinc/63/98/91/810639891.db2.gz QGEVXUVRASTUJX-OAHLLOKOSA-N 1 1 295.386 3.163 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C2(C3CC3)CC2)C1 ZINC001190816391 810650684 /nfs/dbraw/zinc/65/06/84/810650684.db2.gz CTKQFBSRTARGJN-GDBMZVCRSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+](C[C@H]1CN(C2CC2)C(=O)O1)CC1CCCCC1 ZINC001190985237 810660785 /nfs/dbraw/zinc/66/07/85/810660785.db2.gz ORUPZGKRUQJRJD-INIZCTEOSA-N 1 1 292.423 3.038 20 30 CGEDMO C=CC[N@H+](C/C=C\C(=O)OCC)CC1CCCCC1 ZINC001190983258 810661297 /nfs/dbraw/zinc/66/12/97/810661297.db2.gz ANLODKZXYNTUED-FLIBITNWSA-N 1 1 265.397 3.174 20 30 CGEDMO CCCCCCCCNC(=O)N1CCn2c(C)[nH+]cc2C1 ZINC001191054841 810667435 /nfs/dbraw/zinc/66/74/35/810667435.db2.gz AXCIBQIFZQCELM-UHFFFAOYSA-N 1 1 292.427 3.077 20 30 CGEDMO CCCCCCCCNC(=O)N1CC[C@@H]([N@@H+](C)C(C)C)C1 ZINC001191068305 810669945 /nfs/dbraw/zinc/66/99/45/810669945.db2.gz MLYHRHAVUUCTFT-MRXNPFEDSA-N 1 1 297.487 3.471 20 30 CGEDMO CCCCCCCNC(=O)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001191115652 810678167 /nfs/dbraw/zinc/67/81/67/810678167.db2.gz STRRPFWSZMCPSJ-MUJYYYPQSA-N 1 1 295.471 3.271 20 30 CGEDMO C#CC[N@H+](CC#CC)Cc1ccc(Br)cc1C ZINC001191244323 810692831 /nfs/dbraw/zinc/69/28/31/810692831.db2.gz IRZJTDVBWZKOIB-UHFFFAOYSA-N 1 1 290.204 3.216 20 30 CGEDMO C#CC[N@@H+](CC#CC)Cc1ccc(Br)cc1C ZINC001191244323 810692824 /nfs/dbraw/zinc/69/28/24/810692824.db2.gz IRZJTDVBWZKOIB-UHFFFAOYSA-N 1 1 290.204 3.216 20 30 CGEDMO C[C@H](Cc1ccsc1)[N@@H+](C)Cc1cncc(C#N)c1 ZINC001191408316 810711959 /nfs/dbraw/zinc/71/19/59/810711959.db2.gz NVRHIAOEOSJNFX-GFCCVEGCSA-N 1 1 271.389 3.078 20 30 CGEDMO C[C@H](Cc1cccs1)[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC001191464936 810716686 /nfs/dbraw/zinc/71/66/86/810716686.db2.gz UINMMWUCVPZUMC-KGLIPLIRSA-N 1 1 292.448 3.056 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)C2(C)CCC2)C1 ZINC001191754578 810736245 /nfs/dbraw/zinc/73/62/45/810736245.db2.gz QTBFAJCAAQNCNH-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)CCCF)C1 ZINC001191781094 810740239 /nfs/dbraw/zinc/74/02/39/810740239.db2.gz MNDPPLONOSUOSW-OAHLLOKOSA-N 1 1 286.435 3.239 20 30 CGEDMO CCC[C@H]1[C@H](C)CCC[N@H+]1Cc1cc(C#N)ccn1 ZINC001191789606 810740329 /nfs/dbraw/zinc/74/03/29/810740329.db2.gz LUIMTTNVPTTWFV-CJNGLKHVSA-N 1 1 257.381 3.354 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001191791021 810742104 /nfs/dbraw/zinc/74/21/04/810742104.db2.gz RKYOHXZWQSDSHE-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)C2(CCC)CCC2)C1 ZINC001191820218 810745782 /nfs/dbraw/zinc/74/57/82/810745782.db2.gz XEGLFQPWCKTUOY-CQSZACIVSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)C2(CCC)CCC2)C1 ZINC001191820218 810745784 /nfs/dbraw/zinc/74/57/84/810745784.db2.gz XEGLFQPWCKTUOY-CQSZACIVSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[C@H]([N@@H+](C)CC2CCCC2)C1 ZINC001191889399 810753590 /nfs/dbraw/zinc/75/35/90/810753590.db2.gz GESZZKCDUCMGCL-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C2CCC(F)CC2)C1 ZINC001192170066 810772895 /nfs/dbraw/zinc/77/28/95/810772895.db2.gz GNUOQTHMPZNJGR-GPANFISMSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@@H]([N@@H+](C)CCC(=C)C)C2)CCC1 ZINC001192227733 810778398 /nfs/dbraw/zinc/77/83/98/810778398.db2.gz UKBRFBSSFCEZQQ-MRXNPFEDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001192239213 810780328 /nfs/dbraw/zinc/78/03/28/810780328.db2.gz SXVMGRPTLUXMGD-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)C2(CF)CC2)C1 ZINC001192293064 810783943 /nfs/dbraw/zinc/78/39/43/810783943.db2.gz GDHDDAWGCDLKCB-OAHLLOKOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001192434269 810797844 /nfs/dbraw/zinc/79/78/44/810797844.db2.gz BBAWZMHZTQDGFV-BRWVUGGUSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)CCCC(C)C)C1 ZINC001192489725 810802589 /nfs/dbraw/zinc/80/25/89/810802589.db2.gz JJDOJOXFJURONP-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001192514275 810804373 /nfs/dbraw/zinc/80/43/73/810804373.db2.gz WVBRVLVVOXGEKX-LSDHHAIUSA-N 1 1 280.456 3.168 20 30 CGEDMO CC#CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)CCCCC)C1 ZINC001192687990 810816794 /nfs/dbraw/zinc/81/67/94/810816794.db2.gz OAOCXACCASCQLZ-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO C#CCC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)CCCCC)C1 ZINC001192688665 810817071 /nfs/dbraw/zinc/81/70/71/810817071.db2.gz XOOBGJPSLREXNB-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO C#CCCCCCC[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC001192744309 810819269 /nfs/dbraw/zinc/81/92/69/810819269.db2.gz CRQXJKYWBYHADO-JKSUJKDBSA-N 1 1 251.414 3.053 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)CCC(C)(C)C)C1 ZINC001192948381 810833800 /nfs/dbraw/zinc/83/38/00/810833800.db2.gz RSLHMJCUBRYJFF-ZDUSSCGKSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)CCC(C)(C)C)C1 ZINC001192948381 810833793 /nfs/dbraw/zinc/83/37/93/810833793.db2.gz RSLHMJCUBRYJFF-ZDUSSCGKSA-N 1 1 286.847 3.098 20 30 CGEDMO CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)CCCCCC)C1 ZINC001192986469 810839065 /nfs/dbraw/zinc/83/90/65/810839065.db2.gz FNGGHNLQTMVEBT-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO CCC#C[C@H](C)[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC001193198187 810863162 /nfs/dbraw/zinc/86/31/62/810863162.db2.gz GWILHBKVDXRIDO-FUHWJXTLSA-N 1 1 271.404 3.122 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC001193198187 810863168 /nfs/dbraw/zinc/86/31/68/810863168.db2.gz GWILHBKVDXRIDO-FUHWJXTLSA-N 1 1 271.404 3.122 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)C[C@H](O)Cc1ccc2ccccc2c1 ZINC001193363524 810878337 /nfs/dbraw/zinc/87/83/37/810878337.db2.gz HDDRWKLMWFNLML-GOSISDBHSA-N 1 1 281.399 3.087 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)C2CCCC2)C1 ZINC001193372625 810881210 /nfs/dbraw/zinc/88/12/10/810881210.db2.gz DVPBWQZEZIJFLU-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CCN1CCCc2ccccc21 ZINC001193942031 810981111 /nfs/dbraw/zinc/98/11/11/810981111.db2.gz KOFUWUXSZCIGIZ-KRWDZBQOSA-N 1 1 270.420 3.480 20 30 CGEDMO CCCCCCCOC(=O)N1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001194004645 810998617 /nfs/dbraw/zinc/99/86/17/810998617.db2.gz ZBFOEWQKBHDDRO-CABCVRRESA-N 1 1 282.428 3.119 20 30 CGEDMO C#CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)CCCCC)C1 ZINC001194182807 811029241 /nfs/dbraw/zinc/02/92/41/811029241.db2.gz GQBXDXXOZFVLOO-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[N@@H+]1CCN(c2cccc(Cl)c2)C[C@@H]1C ZINC001194553041 811090111 /nfs/dbraw/zinc/09/01/11/811090111.db2.gz VEMQDUPGCAYGAR-ZDUSSCGKSA-N 1 1 264.800 3.427 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC001194755000 811125042 /nfs/dbraw/zinc/12/50/42/811125042.db2.gz MLGQYGUEBJPZLR-HUUCEWRRSA-N 1 1 274.383 3.138 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)CCCC)CC1 ZINC001194882467 811163310 /nfs/dbraw/zinc/16/33/10/811163310.db2.gz AYYNJWRYXXCDHV-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO N#Cc1ccc(F)c(Nc2c[nH+]c3ccccn23)c1 ZINC001214592583 815427978 /nfs/dbraw/zinc/42/79/78/815427978.db2.gz GXSSCIBOLNPVHK-UHFFFAOYSA-N 1 1 252.252 3.089 20 30 CGEDMO C=CCCC(=O)N1CCC[N@H+](C[C@@H](C)CC(C)C)CC1 ZINC001195226528 811228998 /nfs/dbraw/zinc/22/89/98/811228998.db2.gz SBPRBQWARPZULL-INIZCTEOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)/C=C\C(C)(C)C)CC1 ZINC001195356614 811247419 /nfs/dbraw/zinc/24/74/19/811247419.db2.gz UKJQUELOJUISER-SNGWPZLWSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCN(C(=O)[C@@H]2CC2(C)C)CC1 ZINC001195496034 811262094 /nfs/dbraw/zinc/26/20/94/811262094.db2.gz BMLRMPFYNGOPAY-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C#C[C@H]1CCC[N@H+](CCCOc2ccccc2C)C1 ZINC001195560195 811266938 /nfs/dbraw/zinc/26/69/38/811266938.db2.gz ZDUJMCJOHLLYMQ-INIZCTEOSA-N 1 1 257.377 3.109 20 30 CGEDMO C#CCCCC(=O)N1CCC[N@H+](CCCCCCC)CC1 ZINC001195681253 811280908 /nfs/dbraw/zinc/28/09/08/811280908.db2.gz BVLCMCPIFNGJKJ-UHFFFAOYSA-N 1 1 292.467 3.295 20 30 CGEDMO C#CC[N@@H+](C[C@H](OC(C)C)c1ccccc1)C1CSC1 ZINC001195976687 811307001 /nfs/dbraw/zinc/30/70/01/811307001.db2.gz AITRWDFBVRBTLQ-KRWDZBQOSA-N 1 1 289.444 3.203 20 30 CGEDMO C#CC[N@H+](C[C@H](OC(C)C)c1ccccc1)C1CSC1 ZINC001195976687 811307011 /nfs/dbraw/zinc/30/70/11/811307011.db2.gz AITRWDFBVRBTLQ-KRWDZBQOSA-N 1 1 289.444 3.203 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Br)cc1)[C@H](C)COC ZINC001196047680 811312542 /nfs/dbraw/zinc/31/25/42/811312542.db2.gz BHQSFNJLPYHECI-GFCCVEGCSA-N 1 1 298.224 3.472 20 30 CGEDMO C=CCCC[N@H+]1CCCN(C(=O)C[C@H]2C=CCCC2)CC1 ZINC001196269369 811330151 /nfs/dbraw/zinc/33/01/51/811330151.db2.gz VCWDAJJBEBODHR-KRWDZBQOSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)C2(CC(C)C)CCC2)CC1 ZINC001196471393 811347503 /nfs/dbraw/zinc/34/75/03/811347503.db2.gz WEUTZPGTEQZOIQ-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)CC(C)=C(C)C)CC1 ZINC001196806547 811369309 /nfs/dbraw/zinc/36/93/09/811369309.db2.gz WWEWZLXMQKZEDN-UHFFFAOYSA-N 1 1 278.440 3.233 20 30 CGEDMO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@H+](CCC(C)C)CC1 ZINC001196829715 811372526 /nfs/dbraw/zinc/37/25/26/811372526.db2.gz HSDMRFFYZLYECN-JKSUJKDBSA-N 1 1 280.456 3.025 20 30 CGEDMO CC#CCCCC(=O)N1CCC[N@H+](CC/C=C\CC)CC1 ZINC001196847221 811373438 /nfs/dbraw/zinc/37/34/38/811373438.db2.gz XMABQBISANOQJT-VURMDHGXSA-N 1 1 290.451 3.071 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)CC2CC(C)(C)C2)CC1 ZINC001196895639 811379319 /nfs/dbraw/zinc/37/93/19/811379319.db2.gz NQPLXWCFXYJVKU-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[C@H]2C)CC1 ZINC001196942741 811385612 /nfs/dbraw/zinc/38/56/12/811385612.db2.gz ILCQARMVSSLYGU-IAGOWNOFSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCN(C(=O)C[C@@H]2C[C@H]2C)CC1 ZINC001197038285 811391039 /nfs/dbraw/zinc/39/10/39/811391039.db2.gz WFMDFOKFDLKHPB-SJORKVTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@@]2(C)CCC[C@H]2C)CC1 ZINC001197061666 811394222 /nfs/dbraw/zinc/39/42/22/811394222.db2.gz FHQANGBSGXBQDD-AEFFLSMTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)[C@H](C)[C@H](C)C(C)(C)C)CC1 ZINC001197428738 811423664 /nfs/dbraw/zinc/42/36/64/811423664.db2.gz ZPRVCWTWBOJWSA-CVEARBPZSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C(C)CC[NH2+][C@@H](CCCC(C)C)C(=O)OCC ZINC001197629292 811438439 /nfs/dbraw/zinc/43/84/39/811438439.db2.gz DMQPBALTDLUTLD-AWEZNQCLSA-N 1 1 255.402 3.300 20 30 CGEDMO C#CC[C@H]1CC[N@H+]([C@@H](CC)C(=O)Nc2ccc(C)cc2)C1 ZINC001197701605 811446697 /nfs/dbraw/zinc/44/66/97/811446697.db2.gz MAYJSMCLTRGHQH-RDJZCZTQSA-N 1 1 284.403 3.057 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc3oc(C(=O)OC)cc3c2)C1 ZINC001197701560 811447231 /nfs/dbraw/zinc/44/72/31/811447231.db2.gz KXLHWWWIVXGVRK-ZDUSSCGKSA-N 1 1 297.354 3.065 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)C(C)(C)CC(C)C)CC1 ZINC001197761265 811451473 /nfs/dbraw/zinc/45/14/73/811451473.db2.gz YWHPNECIDDYVQL-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)C[C@@H](C)CC(C)C)CC1 ZINC001197777515 811452771 /nfs/dbraw/zinc/45/27/71/811452771.db2.gz JWBUYRZFGGDKGH-INIZCTEOSA-N 1 1 280.456 3.169 20 30 CGEDMO CC#CC[N@H+]1CCCN(C(=O)CCCCCCCC)CC1 ZINC001197928336 811464477 /nfs/dbraw/zinc/46/44/77/811464477.db2.gz CFMTUEACWWYHNB-UHFFFAOYSA-N 1 1 292.467 3.295 20 30 CGEDMO CC#CC[N@@H+]1CCCN(C(=O)CCCCCCCC)CC1 ZINC001197928336 811464484 /nfs/dbraw/zinc/46/44/84/811464484.db2.gz CFMTUEACWWYHNB-UHFFFAOYSA-N 1 1 292.467 3.295 20 30 CGEDMO C#CC[N@H+](CCSC)[C@@H]1CCCc2ccccc21 ZINC001198105805 811476409 /nfs/dbraw/zinc/47/64/09/811476409.db2.gz ZHOAXJDAKRMONA-MRXNPFEDSA-N 1 1 259.418 3.362 20 30 CGEDMO CCc1ccc2c(c1)C[N@H+](CC1(CC#N)CC1)CC2 ZINC001198851502 811548652 /nfs/dbraw/zinc/54/86/52/811548652.db2.gz IPFQWBUYPUGAKC-UHFFFAOYSA-N 1 1 254.377 3.301 20 30 CGEDMO CC[N@@H+]1CCCC[C@@H]1CNCc1c(C)cc(C#N)cc1C ZINC001200412237 811688099 /nfs/dbraw/zinc/68/80/99/811688099.db2.gz LJLLKQKEFHKOGU-QGZVFWFLSA-N 1 1 285.435 3.139 20 30 CGEDMO CC[N@H+]1CCCC[C@@H]1CNCc1c(C)cc(C#N)cc1C ZINC001200412237 811688103 /nfs/dbraw/zinc/68/81/03/811688103.db2.gz LJLLKQKEFHKOGU-QGZVFWFLSA-N 1 1 285.435 3.139 20 30 CGEDMO CC[N@@H+]1CCCC[C@H]1CNCc1c(C)cc(C#N)cc1C ZINC001200412235 811688361 /nfs/dbraw/zinc/68/83/61/811688361.db2.gz LJLLKQKEFHKOGU-KRWDZBQOSA-N 1 1 285.435 3.139 20 30 CGEDMO CC[N@H+]1CCCC[C@H]1CNCc1c(C)cc(C#N)cc1C ZINC001200412235 811688366 /nfs/dbraw/zinc/68/83/66/811688366.db2.gz LJLLKQKEFHKOGU-KRWDZBQOSA-N 1 1 285.435 3.139 20 30 CGEDMO C=CCOCc1ncn2c1C[N@@H+](CC(CC)CC)CCC2 ZINC001201525136 811884355 /nfs/dbraw/zinc/88/43/55/811884355.db2.gz ANZXKCDSONRRFI-UHFFFAOYSA-N 1 1 291.439 3.228 20 30 CGEDMO C=CCN1C(=O)CC[C@@]12CCC[N@H+](C[C@@H](C)CCC)CC2 ZINC001201543694 811894382 /nfs/dbraw/zinc/89/43/82/811894382.db2.gz JMUHFVZRMIPDHC-FUHWJXTLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](C[C@H](C)CCC)CC2 ZINC001201543693 811894795 /nfs/dbraw/zinc/89/47/95/811894795.db2.gz JMUHFVZRMIPDHC-AEFFLSMTSA-N 1 1 292.467 3.456 20 30 CGEDMO CCCCCCCCCCC[N@H+]1CCO[C@H](CO)C1 ZINC001201631023 811925654 /nfs/dbraw/zinc/92/56/54/811925654.db2.gz LDWCUVZWBNIWCR-INIZCTEOSA-N 1 1 271.445 3.210 20 30 CGEDMO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](CCCCC)C2 ZINC001201730486 811950028 /nfs/dbraw/zinc/95/00/28/811950028.db2.gz JIIWSYFSONBQSE-SJORKVTESA-N 1 1 281.440 3.250 20 30 CGEDMO CCCCCCCC[N@@H+]1Cc2nccn2C[C@@H](COC)C1 ZINC001201813464 811968489 /nfs/dbraw/zinc/96/84/89/811968489.db2.gz DRWYKXGDFICZHZ-INIZCTEOSA-N 1 1 293.455 3.322 20 30 CGEDMO CCCCCCCCC[N@H+]1CCC(=O)N2CCC[C@H]2C1 ZINC001201852853 811972507 /nfs/dbraw/zinc/97/25/07/811972507.db2.gz OUHLHTDFFDNSQY-INIZCTEOSA-N 1 1 280.456 3.434 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1cc(OC)ncc1Cl ZINC001238353638 819979680 /nfs/dbraw/zinc/97/96/80/819979680.db2.gz FQZXXBSVZSQHQD-UHFFFAOYSA-N 1 1 254.761 3.142 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(OC)ncc1Cl ZINC001238353638 819979683 /nfs/dbraw/zinc/97/96/83/819979683.db2.gz FQZXXBSVZSQHQD-UHFFFAOYSA-N 1 1 254.761 3.142 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC001204043111 812530815 /nfs/dbraw/zinc/53/08/15/812530815.db2.gz NFXOKXIFUCJJAV-CYBMUJFWSA-N 1 1 253.349 3.294 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2)CC1 ZINC001204233418 812580342 /nfs/dbraw/zinc/58/03/42/812580342.db2.gz DMHNJBBFUIQZPT-NSHDSACASA-N 1 1 250.292 3.090 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2)CC1 ZINC001204233418 812580347 /nfs/dbraw/zinc/58/03/47/812580347.db2.gz DMHNJBBFUIQZPT-NSHDSACASA-N 1 1 250.292 3.090 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@H](C#N)CC2)c2ccccc21 ZINC001204326605 812614861 /nfs/dbraw/zinc/61/48/61/812614861.db2.gz WBNIRMUQMCTCJC-AWEZNQCLSA-N 1 1 267.376 3.304 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001204367573 812621733 /nfs/dbraw/zinc/62/17/33/812621733.db2.gz DXDMIBUITBTLFX-KGLIPLIRSA-N 1 1 262.303 3.035 20 30 CGEDMO Cc1cc(C)cc(CC[N@@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC001204673736 812705682 /nfs/dbraw/zinc/70/56/82/812705682.db2.gz OWMUMYFCZNXPSU-HNNXBMFYSA-N 1 1 256.393 3.470 20 30 CGEDMO Cc1cc(C)cc(CC[N@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC001204673736 812705683 /nfs/dbraw/zinc/70/56/83/812705683.db2.gz OWMUMYFCZNXPSU-HNNXBMFYSA-N 1 1 256.393 3.470 20 30 CGEDMO C=C(C)COc1ccccc1CN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001205304020 812942440 /nfs/dbraw/zinc/94/24/40/812942440.db2.gz MXWQCBKLRLHYJT-DOTOQJQBSA-N 1 1 288.435 3.058 20 30 CGEDMO N#Cc1cc(C[N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)ccc1F ZINC001205459132 812986243 /nfs/dbraw/zinc/98/62/43/812986243.db2.gz CLIVZLCMOOCZSO-BETUJISGSA-N 1 1 280.293 3.174 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1cccc2c(OC)cccc12 ZINC001205569460 813006196 /nfs/dbraw/zinc/00/61/96/813006196.db2.gz SXSIYNQXPKUTEB-CYBMUJFWSA-N 1 1 253.345 3.302 20 30 CGEDMO C[C@H]1CCN(Cc2ccc(Cl)cc2C#N)CC[C@@H]1C[NH3+] ZINC001205638986 813037858 /nfs/dbraw/zinc/03/78/58/813037858.db2.gz UGSGTQXHZPBTIO-QWHCGFSZSA-N 1 1 291.826 3.018 20 30 CGEDMO Cc1ccc(N2CCC[C@H](OCCCCC#N)C2)[nH+]c1 ZINC001205671720 813047418 /nfs/dbraw/zinc/04/74/18/813047418.db2.gz DJLWHDYITCTOFM-HNNXBMFYSA-N 1 1 273.380 3.069 20 30 CGEDMO C=CCC[C@@H]([NH2+]C[C@@H](C)CC(C)C)C(=O)OCC ZINC001205849338 813107018 /nfs/dbraw/zinc/10/70/18/813107018.db2.gz OUTIVMFKAFEKHT-UONOGXRCSA-N 1 1 255.402 3.156 20 30 CGEDMO C=CCC[C@H]([NH2+][C@@H]1CCC[C@@H](C)CC1)C(=O)OCC ZINC001205848820 813107541 /nfs/dbraw/zinc/10/75/41/813107541.db2.gz HPUODBCXTKBCMD-KFWWJZLASA-N 1 1 267.413 3.443 20 30 CGEDMO C#CC[N@@H+](Cc1cc(Cl)cc(Cl)c1N)C1CC1 ZINC001205881768 813118807 /nfs/dbraw/zinc/11/88/07/813118807.db2.gz GPRXFCJYWFIJHA-UHFFFAOYSA-N 1 1 269.175 3.173 20 30 CGEDMO C#CC[N@H+](Cc1cc(Cl)cc(Cl)c1N)C1CC1 ZINC001205881768 813118811 /nfs/dbraw/zinc/11/88/11/813118811.db2.gz GPRXFCJYWFIJHA-UHFFFAOYSA-N 1 1 269.175 3.173 20 30 CGEDMO C[C@@H]1CN(Cc2cccc(Cl)c2C#N)CCC[C@H]1C[NH3+] ZINC001206003207 813161484 /nfs/dbraw/zinc/16/14/84/813161484.db2.gz FUTQBVQDAXYTNY-OLZOCXBDSA-N 1 1 291.826 3.018 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)C(C)C)C1 ZINC001206544151 813346712 /nfs/dbraw/zinc/34/67/12/813346712.db2.gz FSCICCFJNSZCDO-ARFHVFGLSA-N 1 1 280.456 3.071 20 30 CGEDMO Cc1cc(CN2CCCC[C@@H]2[C@H](C)C[NH+](C)C)ccc1C#N ZINC001206801477 813439883 /nfs/dbraw/zinc/43/98/83/813439883.db2.gz WNUHMTUCZDLMOO-VQIMIIECSA-N 1 1 299.462 3.419 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc[nH]c2)C1 ZINC001207037196 813470678 /nfs/dbraw/zinc/47/06/78/813470678.db2.gz FCJVZKHGQDQYJP-GDBMZVCRSA-N 1 1 291.439 3.035 20 30 CGEDMO Fc1ccc2onc(C[NH2+]CC#Cc3ccccc3)c2c1 ZINC001207197847 813515310 /nfs/dbraw/zinc/51/53/10/813515310.db2.gz SCSFDVNCABTUAX-UHFFFAOYSA-N 1 1 280.302 3.108 20 30 CGEDMO C=CCN(CC[N@@H+](C)CCC1CC1)C(=O)OC(C)(C)C ZINC001207203648 813515613 /nfs/dbraw/zinc/51/56/13/813515613.db2.gz LHANRSNTIXHTMP-UHFFFAOYSA-N 1 1 282.428 3.141 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC(=C)C)C1 ZINC001207215357 813516564 /nfs/dbraw/zinc/51/65/64/813516564.db2.gz GFZGGDGJTGPQTH-BZUAXINKSA-N 1 1 278.440 3.134 20 30 CGEDMO CCc1ccc(NCc2cccc(F)c2C#N)[nH+]c1 ZINC001207284313 813536699 /nfs/dbraw/zinc/53/66/99/813536699.db2.gz RVEXGPJEUBLXOX-UHFFFAOYSA-N 1 1 255.296 3.267 20 30 CGEDMO C#C[C@H]1CCC[N@H+](CCc2ccccc2Br)C1 ZINC001207531505 813589003 /nfs/dbraw/zinc/58/90/03/813589003.db2.gz VDFDOYCPFGGCOC-ZDUSSCGKSA-N 1 1 292.220 3.337 20 30 CGEDMO N#CCC[N@@H+](C[C@H]1CCCO1)C1CCCCCCC1 ZINC001207851655 813662141 /nfs/dbraw/zinc/66/21/41/813662141.db2.gz ADJAJBLCGMVMIC-MRXNPFEDSA-N 1 1 264.413 3.494 20 30 CGEDMO Cc1ccc(CCC[N@H+]2CCc3ccc(C#N)cc3C2)o1 ZINC001207943868 813676083 /nfs/dbraw/zinc/67/60/83/813676083.db2.gz KYKZNXJNCPLRCB-UHFFFAOYSA-N 1 1 280.371 3.451 20 30 CGEDMO CCCCCCC/C=C/C[N@H+](C)CCN1CCN(C)CC1 ZINC001208118439 813695725 /nfs/dbraw/zinc/69/57/25/813695725.db2.gz HAYDDCFOAZKAMO-ZHACJKMWSA-N 1 1 295.515 3.082 20 30 CGEDMO CCCCCCC/C=C/C[N@@H+](C)CCN1CCN(C)CC1 ZINC001208118439 813695728 /nfs/dbraw/zinc/69/57/28/813695728.db2.gz HAYDDCFOAZKAMO-ZHACJKMWSA-N 1 1 295.515 3.082 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[NH+]2CC(N3CCC(F)CC3)C2)CC1 ZINC001208177805 813728330 /nfs/dbraw/zinc/72/83/30/813728330.db2.gz GDAHWTIWBILPSB-MRXNPFEDSA-N 1 1 292.442 3.407 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C(=C)C)C1 ZINC001208295096 813752878 /nfs/dbraw/zinc/75/28/78/813752878.db2.gz YJNIHPHTSWLESN-BZUAXINKSA-N 1 1 292.467 3.380 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CC/C=C/CC)C[C@H]1C ZINC001208295076 813752927 /nfs/dbraw/zinc/75/29/27/813752927.db2.gz XRBPDYFRWRXGGV-GUFYHEMZSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC001208398952 813759476 /nfs/dbraw/zinc/75/94/76/813759476.db2.gz IQHYYNBZRKLYJZ-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C ZINC001208396405 813759911 /nfs/dbraw/zinc/75/99/11/813759911.db2.gz VDIIPGILIGSIIB-BZUAXINKSA-N 1 1 280.456 3.071 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](CCCC(C)C)C[C@H]1C ZINC001208393543 813760068 /nfs/dbraw/zinc/76/00/68/813760068.db2.gz RTBRHXJZWHKJOQ-BRWVUGGUSA-N 1 1 294.483 3.461 20 30 CGEDMO N#Cc1ccc(O[C@@H]2CCC[N@@H+](CCC3CC3)C2)cc1 ZINC001208687260 813795678 /nfs/dbraw/zinc/79/56/78/813795678.db2.gz QOORZRLHEHGOAF-QGZVFWFLSA-N 1 1 270.376 3.202 20 30 CGEDMO CC(C)Oc1ncccc1CC[N@H+]1CCC[C@@H](C#N)CC1 ZINC001208798827 813852761 /nfs/dbraw/zinc/85/27/61/813852761.db2.gz NUPWRXGUTHDACF-OAHLLOKOSA-N 1 1 287.407 3.037 20 30 CGEDMO COCC[C@@H]1CCCC[N@H+]1CCCc1cccc(C#N)c1 ZINC001208852579 813866604 /nfs/dbraw/zinc/86/66/04/813866604.db2.gz MEEWWAFURQZYTE-SFHVURJKSA-N 1 1 286.419 3.382 20 30 CGEDMO C[N@@H+]1CC=C(Nc2cc(C#N)cc(C(F)(F)F)c2)CC1 ZINC001208857654 813868526 /nfs/dbraw/zinc/86/85/26/813868526.db2.gz NRORXAKLQACIJQ-UHFFFAOYSA-N 1 1 281.281 3.208 20 30 CGEDMO C[N@@H+](CCCc1ccc(C#N)cc1)Cc1cccnc1 ZINC001208860048 813871444 /nfs/dbraw/zinc/87/14/44/813871444.db2.gz GBUKCZGQECQVRH-UHFFFAOYSA-N 1 1 265.360 3.018 20 30 CGEDMO N#Cc1ccc(CCC[N@@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)cc1 ZINC001208860497 813872580 /nfs/dbraw/zinc/87/25/80/813872580.db2.gz NFGIYQPDCGFMBJ-ROUUACIJSA-N 1 1 296.414 3.324 20 30 CGEDMO C[N@@H+](CCCc1ccc(C#N)cc1)Cc1cccc(C#N)c1 ZINC001208864705 813875289 /nfs/dbraw/zinc/87/52/89/813875289.db2.gz QGOBLPIQJMFNAD-UHFFFAOYSA-N 1 1 289.382 3.495 20 30 CGEDMO COc1ccc2c(c1)C[N@H+](CCc1ccc(C#N)cc1)C2 ZINC001208926252 813901103 /nfs/dbraw/zinc/90/11/03/813901103.db2.gz MQVQFPSJVZGUIU-UHFFFAOYSA-N 1 1 278.355 3.125 20 30 CGEDMO N#Cc1ccc(CC[N@@H+]2Cc3cccc(F)c3C2)cc1 ZINC001208926712 813901692 /nfs/dbraw/zinc/90/16/92/813901692.db2.gz ZIBVBBOJMCCBQP-UHFFFAOYSA-N 1 1 266.319 3.256 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2Cc3cccc(F)c3C2)cc1 ZINC001208926712 813901698 /nfs/dbraw/zinc/90/16/98/813901698.db2.gz ZIBVBBOJMCCBQP-UHFFFAOYSA-N 1 1 266.319 3.256 20 30 CGEDMO N#C[C@@H]1CCCCN1C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208939738 813904819 /nfs/dbraw/zinc/90/48/19/813904819.db2.gz HTSUQYDYGRCRNX-MOPGFXCFSA-N 1 1 297.446 3.277 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](CCc2cc(F)cc(F)c2)C1 ZINC001209141411 813946516 /nfs/dbraw/zinc/94/65/16/813946516.db2.gz XFZUYXQLYKPWDY-LBPRGKRZSA-N 1 1 264.319 3.133 20 30 CGEDMO C=CCCCN1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001209160378 813952103 /nfs/dbraw/zinc/95/21/03/813952103.db2.gz URTWQIRZLZFXAW-MRXNPFEDSA-N 1 1 258.409 3.331 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@]2(CCN2C(=O)OC(C)(C)C)C1 ZINC001209159035 813952233 /nfs/dbraw/zinc/95/22/33/813952233.db2.gz ZGHIGLPJKYJSFZ-MRXNPFEDSA-N 1 1 280.412 3.038 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]2OCCC[C@@]2(COCC=C)C1 ZINC001209162649 813953102 /nfs/dbraw/zinc/95/31/02/813953102.db2.gz XMRHJGCPJGZBEZ-SJORKVTESA-N 1 1 279.424 3.026 20 30 CGEDMO C=CCCCC[N@H+]1C[C@@H]2C(=O)Nc3ccccc3[C@H]2C1 ZINC001209200245 813965337 /nfs/dbraw/zinc/96/53/37/813965337.db2.gz FGAUDIYMDSMVRU-CABCVRRESA-N 1 1 270.376 3.010 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@H](Oc2ccncc2C)C1 ZINC001209208368 813968047 /nfs/dbraw/zinc/96/80/47/813968047.db2.gz SMCPXENKOYWRET-HNNXBMFYSA-N 1 1 260.381 3.199 20 30 CGEDMO C=CCCCC[N@H+]1CCOC[C@H]1Cc1ccccc1 ZINC001209207061 813968357 /nfs/dbraw/zinc/96/83/57/813968357.db2.gz JYOMSQNFTFHOBI-QGZVFWFLSA-N 1 1 259.393 3.286 20 30 CGEDMO CCCC[N@@H+](CCC#N)CC1C[C@H](C)O[C@@H](C)C1 ZINC001209388655 814010881 /nfs/dbraw/zinc/01/08/81/814010881.db2.gz NYMRTYANHXXHBC-KBPBESRZSA-N 1 1 252.402 3.206 20 30 CGEDMO C=CCCCCC[N@H+]1CCc2onc(COCC)c2C1 ZINC001209427184 814028106 /nfs/dbraw/zinc/02/81/06/814028106.db2.gz JBNLHUXHTAMAMO-UHFFFAOYSA-N 1 1 278.396 3.316 20 30 CGEDMO C=CCCCCC[N@@H+]1CCOC[C@H]1c1cccnc1 ZINC001209433177 814033415 /nfs/dbraw/zinc/03/34/15/814033415.db2.gz REVRYMUABGWXGE-INIZCTEOSA-N 1 1 260.381 3.201 20 30 CGEDMO C=CCCCCC[N@H+]1CCOC[C@H]1c1cccnc1 ZINC001209433177 814033424 /nfs/dbraw/zinc/03/34/24/814033424.db2.gz REVRYMUABGWXGE-INIZCTEOSA-N 1 1 260.381 3.201 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H]2CN(C(=O)OC(C)(C)C)[C@@H]2C1 ZINC001209433399 814035899 /nfs/dbraw/zinc/03/58/99/814035899.db2.gz VRCSVQHICYQGCJ-HUUCEWRRSA-N 1 1 294.439 3.284 20 30 CGEDMO C=CCCCCCCC[N@H+](C)C1CCS(=O)(=O)CC1 ZINC001209441595 814040524 /nfs/dbraw/zinc/04/05/24/814040524.db2.gz IVOSCUFDFKJXSC-UHFFFAOYSA-N 1 1 287.469 3.022 20 30 CGEDMO C=CCCCCCC[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC001209440510 814040748 /nfs/dbraw/zinc/04/07/48/814040748.db2.gz LMIFSCNFUIMKJP-OAHLLOKOSA-N 1 1 262.401 3.052 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CCc2c(cnn2C)C1 ZINC001209442282 814042794 /nfs/dbraw/zinc/04/27/94/814042794.db2.gz PLZLSHLRIFHFST-UHFFFAOYSA-N 1 1 261.413 3.305 20 30 CGEDMO C=CCCCCCCCC[N@H+]1CCN(C(C)=O)[C@H](C)C1 ZINC001209445012 814045948 /nfs/dbraw/zinc/04/59/48/814045948.db2.gz CWNIOKOBTZIUFI-MRXNPFEDSA-N 1 1 280.456 3.456 20 30 CGEDMO Cc1[nH]c2ncccc2c1C[N@H+](C)Cc1cccc(C#N)c1 ZINC001209593142 814094137 /nfs/dbraw/zinc/09/41/37/814094137.db2.gz OAJXJJFQGMIBEN-UHFFFAOYSA-N 1 1 290.370 3.375 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2c[nH]c3cc(F)ccc23)CC1 ZINC001209691680 814113606 /nfs/dbraw/zinc/11/36/06/814113606.db2.gz HTRWAAHELOWQMA-LBPRGKRZSA-N 1 1 271.339 3.433 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC2(C)CC2)C1 ZINC001210008551 814240721 /nfs/dbraw/zinc/24/07/21/814240721.db2.gz MIYLSLGBELZIPV-BZUAXINKSA-N 1 1 292.467 3.358 20 30 CGEDMO Cc1cccc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)c1O ZINC001210187432 814326075 /nfs/dbraw/zinc/32/60/75/814326075.db2.gz LDNKHDNIDNZPNX-UHFFFAOYSA-N 1 1 299.399 3.365 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](CC)C(C)C)C1 ZINC001210415718 814450867 /nfs/dbraw/zinc/45/08/67/814450867.db2.gz AHNFCSMUAJNKLD-BZUAXINKSA-N 1 1 280.456 3.071 20 30 CGEDMO CCCCCCCCCCC[N@@H+]1CCNC[C@H]1COC ZINC001210520457 814506224 /nfs/dbraw/zinc/50/62/24/814506224.db2.gz YYERAUQGVDVKSW-KRWDZBQOSA-N 1 1 284.488 3.437 20 30 CGEDMO CCCCCCCCCCC[N@H+]1CCNC[C@H]1COC ZINC001210520457 814506231 /nfs/dbraw/zinc/50/62/31/814506231.db2.gz YYERAUQGVDVKSW-KRWDZBQOSA-N 1 1 284.488 3.437 20 30 CGEDMO C=CC[C@H](Oc1nc(CC)nc2c1C[NH2+]C2)c1ccccc1 ZINC001218304041 816158782 /nfs/dbraw/zinc/15/87/82/816158782.db2.gz BFYWOIIOEXQVPY-INIZCTEOSA-N 1 1 295.386 3.338 20 30 CGEDMO C=C[C@@H](CCCCCCC)Oc1ncnc2c1C[NH2+]C2 ZINC001218334967 816171191 /nfs/dbraw/zinc/17/11/91/816171191.db2.gz IBHRIUKLMXMURC-ZDUSSCGKSA-N 1 1 275.396 3.374 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)/C=C/C(C)(C)C)[C@@H]2C1 ZINC001221452430 816314694 /nfs/dbraw/zinc/31/46/94/816314694.db2.gz ASZHAWGXMJTLIZ-ZGWZEZEDSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CC(C)(C)CC(=O)N1C[C@H]2CC[N@H+](CC=C(C)C)C[C@H]21 ZINC001221576864 816320539 /nfs/dbraw/zinc/32/05/39/816320539.db2.gz PEWPYJJFQISEIJ-HZPDHXFCSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C(CC)CC)[C@@H]2C1 ZINC001221662303 816323527 /nfs/dbraw/zinc/32/35/27/816323527.db2.gz HFEIEOXKROEJDZ-DJIMGWMZSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCn1cc(-c2ccc([C@H]3CC[N@H+](C)C3)cc2)cn1 ZINC001222413628 816439040 /nfs/dbraw/zinc/43/90/40/816439040.db2.gz YFQUJHSVDMDJOP-INIZCTEOSA-N 1 1 267.376 3.155 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]2CC[N@H+](C[C@H](F)CC)[C@H]2C1 ZINC001223401962 816623070 /nfs/dbraw/zinc/62/30/70/816623070.db2.gz UHAHFCUMFDVFMV-OAGGEKHMSA-N 1 1 296.430 3.014 20 30 CGEDMO CCCCCCCCNC(=O)N(CCC)[C@@H]1CC[N@@H+](C)C1 ZINC001224253868 816761962 /nfs/dbraw/zinc/76/19/62/816761962.db2.gz MYTMKFCHFWSSGZ-MRXNPFEDSA-N 1 1 297.487 3.473 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@H]3CC[N@H+](CC)[C@H]3C2)CCCC1 ZINC001224344668 816783559 /nfs/dbraw/zinc/78/35/59/816783559.db2.gz UHSPYZFNFICNFN-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C[C@]1(C)CC[C@H](C(C)(C)OC[C@@H]2CCCC[N@@H+]2C)O1 ZINC001224701110 816856400 /nfs/dbraw/zinc/85/64/00/816856400.db2.gz CTSRYRGMNPJEGM-ZMSDIMECSA-N 1 1 281.440 3.390 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C)[C@H](OCCC[NH+]2CCOCC2)C1 ZINC001224869080 816898180 /nfs/dbraw/zinc/89/81/80/816898180.db2.gz DIFYPMSHLZLSBB-IAGOWNOFSA-N 1 1 279.424 3.026 20 30 CGEDMO CCCCCCC[C@@H](C)OCCC[NH+]1CCOCC1 ZINC001224870932 816900354 /nfs/dbraw/zinc/90/03/54/816900354.db2.gz XPVZEWIZORYUPE-MRXNPFEDSA-N 1 1 271.445 3.474 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2cncn2C)cc1 ZINC001243072667 823235717 /nfs/dbraw/zinc/23/57/17/823235717.db2.gz UMNZVMJGOSHHPP-MRXNPFEDSA-N 1 1 267.376 3.410 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H](Oc2ccc(C#N)c(F)c2F)C1 ZINC001226017435 817250226 /nfs/dbraw/zinc/25/02/26/817250226.db2.gz KFXDCHCPXLVQDW-GFCCVEGCSA-N 1 1 280.318 3.088 20 30 CGEDMO C[N@H+]1CCC[C@@H](Oc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC001226143146 817283968 /nfs/dbraw/zinc/28/39/68/817283968.db2.gz OXBKHSYUMHIQAK-GFCCVEGCSA-N 1 1 284.281 3.050 20 30 CGEDMO Cc1cc(O[C@H]2[C@@H]3CCC[C@H]2C[N@H+](C)C3)cc(C)c1C#N ZINC001226834017 817479200 /nfs/dbraw/zinc/47/92/00/817479200.db2.gz OXXWRTRODHVEBV-HWWDLCQESA-N 1 1 284.403 3.284 20 30 CGEDMO C[N@H+]1CCC[C@@H](Oc2cc(Cl)ccc2C#N)CC1 ZINC001228084528 817807135 /nfs/dbraw/zinc/80/71/35/817807135.db2.gz NEFJFIISHJDPGH-CYBMUJFWSA-N 1 1 264.756 3.075 20 30 CGEDMO Cc1cc(O[C@@H]2CCC[N@H+](C(C)C)C2)c(C)cc1C#N ZINC001228147573 817823853 /nfs/dbraw/zinc/82/38/53/817823853.db2.gz PIWZUPPCCUAZQY-MRXNPFEDSA-N 1 1 272.392 3.427 20 30 CGEDMO CC(=O)/C=C/c1ccc(O[C@@H]2CCC[N@H+](C)CC2)cc1 ZINC001228497392 817922835 /nfs/dbraw/zinc/92/28/35/817922835.db2.gz UEDCHDUIZLNYEG-SQRWCISFSA-N 1 1 273.376 3.152 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)C2(CCC)CCC2)CC1 ZINC001228760257 818002319 /nfs/dbraw/zinc/00/23/19/818002319.db2.gz JKSZCCCHIOOXCI-UHFFFAOYSA-N 1 1 298.858 3.290 20 30 CGEDMO C=C(C)C(=O)Nc1ccc(O[C@H]2CCC[N@H+](C)CC2)cc1 ZINC001231315678 818075043 /nfs/dbraw/zinc/07/50/43/818075043.db2.gz WPGKEHDFLFFUJF-HNNXBMFYSA-N 1 1 288.391 3.064 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)c1 ZINC001231624041 818139610 /nfs/dbraw/zinc/13/96/10/818139610.db2.gz DVBMXPFBNMVAHF-DZKIICNBSA-N 1 1 261.340 3.184 20 30 CGEDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](C#N)CC2)cc1Cl ZINC001231870787 818194025 /nfs/dbraw/zinc/19/40/25/818194025.db2.gz TZVISFKAKZBPHN-GFCCVEGCSA-N 1 1 278.783 3.480 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1c[nH]c2cccc(OC)c12 ZINC001232035532 818238031 /nfs/dbraw/zinc/23/80/31/818238031.db2.gz LDAWMWLMWDYCNI-UHFFFAOYSA-N 1 1 271.364 3.302 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1c[nH]c2cccc(OC)c12 ZINC001232035532 818238035 /nfs/dbraw/zinc/23/80/35/818238035.db2.gz LDAWMWLMWDYCNI-UHFFFAOYSA-N 1 1 271.364 3.302 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2ccc(O)c3ncccc23)CC1 ZINC001232275810 818300960 /nfs/dbraw/zinc/30/09/60/818300960.db2.gz DLAOROHWNWVDAQ-CYBMUJFWSA-N 1 1 281.359 3.066 20 30 CGEDMO N#Cc1ccnc(C[N@H+]2CCC[C@H]2c2ccccc2)c1 ZINC001232481054 818364262 /nfs/dbraw/zinc/36/42/62/818364262.db2.gz SAKUQIMEVWSILW-KRWDZBQOSA-N 1 1 263.344 3.290 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(-n3cccn3)cc2Cl)C1 ZINC001232599194 818393070 /nfs/dbraw/zinc/39/30/70/818393070.db2.gz UWUUZYVZGMVYSP-AWEZNQCLSA-N 1 1 299.805 3.371 20 30 CGEDMO CNc1ccccc1C[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001232668036 818414012 /nfs/dbraw/zinc/41/40/12/818414012.db2.gz FUXLLYRORTUZFD-UHFFFAOYSA-N 1 1 277.371 3.158 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](OCc3ccccc3)C2)s1 ZINC001232844048 818454589 /nfs/dbraw/zinc/45/45/89/818454589.db2.gz MHCMZEWEEXXRLS-HNNXBMFYSA-N 1 1 298.411 3.411 20 30 CGEDMO N#Cc1cc(C[NH+]2CC3CC(C3)C2)ccc1Br ZINC001232897337 818466559 /nfs/dbraw/zinc/46/65/59/818466559.db2.gz GWHHSMOURRYOSV-UHFFFAOYSA-N 1 1 291.192 3.163 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@@H+](C1CCC1)C1CCOCC1 ZINC001232892120 818467192 /nfs/dbraw/zinc/46/71/92/818467192.db2.gz AETHNZBIQPHNPM-UHFFFAOYSA-N 1 1 288.366 3.231 20 30 CGEDMO CC[N@H+](CCC#N)Cc1ccccc1-n1cccc1 ZINC001232911037 818471295 /nfs/dbraw/zinc/47/12/95/818471295.db2.gz PDKOVODFHOGIPD-UHFFFAOYSA-N 1 1 253.349 3.213 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1ccccc1-n1cccc1 ZINC001232911037 818471299 /nfs/dbraw/zinc/47/12/99/818471299.db2.gz PDKOVODFHOGIPD-UHFFFAOYSA-N 1 1 253.349 3.213 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2ccccc2-n2cccc2)C1 ZINC001232911383 818474141 /nfs/dbraw/zinc/47/41/41/818474141.db2.gz RXXOSIGFHWVFNN-OAHLLOKOSA-N 1 1 265.360 3.213 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2ccccc2-n2cccc2)C1 ZINC001232911383 818474144 /nfs/dbraw/zinc/47/41/44/818474144.db2.gz RXXOSIGFHWVFNN-OAHLLOKOSA-N 1 1 265.360 3.213 20 30 CGEDMO COc1cccc([C@@H]2CCC[N@H+]2Cc2cccc(C#N)n2)c1 ZINC001232926069 818475221 /nfs/dbraw/zinc/47/52/21/818475221.db2.gz YYCBVENFXDEWOA-SFHVURJKSA-N 1 1 293.370 3.299 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCCC3(CC(F)C3)CC2)n1 ZINC001232925937 818475942 /nfs/dbraw/zinc/47/59/42/818475942.db2.gz TZOBJMDCTKNCCY-UHFFFAOYSA-N 1 1 273.355 3.057 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1cnc(OC)c2ccccc12 ZINC001232950000 818481353 /nfs/dbraw/zinc/48/13/53/818481353.db2.gz UOIFXCGBBZRCSA-UHFFFAOYSA-N 1 1 283.375 3.369 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1cnc(OC)c2ccccc12 ZINC001232950000 818481355 /nfs/dbraw/zinc/48/13/55/818481355.db2.gz UOIFXCGBBZRCSA-UHFFFAOYSA-N 1 1 283.375 3.369 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@H](c3ccccn3)C2)c(C#N)c1 ZINC001232965956 818484232 /nfs/dbraw/zinc/48/42/32/818484232.db2.gz CAFKYPCWGXNXBO-INIZCTEOSA-N 1 1 277.371 3.251 20 30 CGEDMO Cc1ccc(C[N@H+](CCCCCO)C(C)C)c(C#N)c1 ZINC001232969112 818485171 /nfs/dbraw/zinc/48/51/71/818485171.db2.gz YKZQSUHBPCTKNF-UHFFFAOYSA-N 1 1 274.408 3.240 20 30 CGEDMO Cc1ccc(CN(C)CC2CC[NH+](C(C)C)CC2)c(C#N)c1 ZINC001232966491 818485793 /nfs/dbraw/zinc/48/57/93/818485793.db2.gz NUJBRGPZEFZXAQ-UHFFFAOYSA-N 1 1 299.462 3.419 20 30 CGEDMO N#Cc1cc[nH]c1C[NH+]1CCC(Cc2ccccc2F)CC1 ZINC001233046655 818507236 /nfs/dbraw/zinc/50/72/36/818507236.db2.gz DTZMFNQJXJDBJL-UHFFFAOYSA-N 1 1 297.377 3.480 20 30 CGEDMO N#Cc1cc[nH]c1C[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC001233047097 818509069 /nfs/dbraw/zinc/50/90/69/818509069.db2.gz OOMAVUKCVNQZFU-UHFFFAOYSA-N 1 1 290.370 3.138 20 30 CGEDMO N#Cc1cc[nH]c1C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC001233048124 818510525 /nfs/dbraw/zinc/51/05/25/818510525.db2.gz WNBXMCJEIPWWAS-AWEZNQCLSA-N 1 1 269.323 3.015 20 30 CGEDMO CCC(CC)[N@@H+](C)Cc1ccc(N(C)C)c(C#N)c1F ZINC001233101636 818521845 /nfs/dbraw/zinc/52/18/45/818521845.db2.gz CCMGMPWFGIZYLX-UHFFFAOYSA-N 1 1 277.387 3.384 20 30 CGEDMO N#CCC[N@@H+](Cc1[nH]nc2cc(F)ccc21)C1CCCC1 ZINC001233124095 818524942 /nfs/dbraw/zinc/52/49/42/818524942.db2.gz GCSVFTWSUNKQJG-UHFFFAOYSA-N 1 1 286.354 3.360 20 30 CGEDMO N#CCC[N@H+](Cc1[nH]nc2cc(F)ccc21)C1CCCC1 ZINC001233124095 818524949 /nfs/dbraw/zinc/52/49/49/818524949.db2.gz GCSVFTWSUNKQJG-UHFFFAOYSA-N 1 1 286.354 3.360 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCCc3ccccc3C2)c(O)c1 ZINC001233386445 818606326 /nfs/dbraw/zinc/60/63/26/818606326.db2.gz ULMLJAMIRXKARE-UHFFFAOYSA-N 1 1 278.355 3.212 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCc3ccccc3C2)c(O)c1 ZINC001233386445 818606330 /nfs/dbraw/zinc/60/63/30/818606330.db2.gz ULMLJAMIRXKARE-UHFFFAOYSA-N 1 1 278.355 3.212 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)/C=C\C1CC1 ZINC001233488360 818626657 /nfs/dbraw/zinc/62/66/57/818626657.db2.gz FGLSTSTXXDIJGR-MQNTZWLQSA-N 1 1 290.451 3.232 20 30 CGEDMO C[C@@H](Oc1ccc2[nH+]ccn2c1)c1ccccc1C#N ZINC001233756064 818698921 /nfs/dbraw/zinc/69/89/21/818698921.db2.gz WQZUORXDTQHMGR-GFCCVEGCSA-N 1 1 263.300 3.346 20 30 CGEDMO CC[N@H+]1CCC[C@@H](Oc2ccc(Cl)c(C#N)c2)C1 ZINC001233924270 818731279 /nfs/dbraw/zinc/73/12/79/818731279.db2.gz NXQNBZDPTRRHAM-CYBMUJFWSA-N 1 1 264.756 3.075 20 30 CGEDMO C=CCC(CC=C)C(=O)N(C)C[C@H]1CC[N@H+]1CCC1CC1 ZINC001234509298 818869618 /nfs/dbraw/zinc/86/96/18/818869618.db2.gz KBLRTUHLHMJRHA-QGZVFWFLSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCC(CC=C)C(=O)N(C)C[C@@H]1CC[N@H+]1C[C@@H](F)CC ZINC001234517223 818872226 /nfs/dbraw/zinc/87/22/26/818872226.db2.gz JTDIQKVJFLKQHJ-HOTGVXAUSA-N 1 1 296.430 3.036 20 30 CGEDMO C=CCC(CC=C)C(=O)N(C)C[C@@H]1CC[N@@H+]1C[C@@H](F)CC ZINC001234517223 818872229 /nfs/dbraw/zinc/87/22/29/818872229.db2.gz JTDIQKVJFLKQHJ-HOTGVXAUSA-N 1 1 296.430 3.036 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N(C)C[C@@H]1CC[N@H+]1CCC1CC1 ZINC001234554715 818881407 /nfs/dbraw/zinc/88/14/07/818881407.db2.gz MRIUKKFIXYMOKP-AWEZNQCLSA-N 1 1 298.858 3.098 20 30 CGEDMO Cc1nc(C)c(C[NH+]2CCC(C#N)(c3ccccc3)CC2)[nH]1 ZINC001234600820 818889075 /nfs/dbraw/zinc/88/90/75/818889075.db2.gz HFSVXMOHLWBLIJ-UHFFFAOYSA-N 1 1 294.402 3.084 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CCC(=C)C ZINC001234604780 818890095 /nfs/dbraw/zinc/89/00/95/818890095.db2.gz WATDEPJHOFLYKX-HZPDHXFCSA-N 1 1 278.440 3.230 20 30 CGEDMO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@H+]1CC1=CCCCC1 ZINC001234604600 818890333 /nfs/dbraw/zinc/89/03/33/818890333.db2.gz RKECGLQJCYQIDL-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(CC)CC ZINC001234614736 818892176 /nfs/dbraw/zinc/89/21/76/818892176.db2.gz UNPGXKRLQJIIDY-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cccc(N3CCCC3)c2)C1 ZINC001235092775 818999778 /nfs/dbraw/zinc/99/97/78/818999778.db2.gz OHBWOMYOFHWLNG-MRXNPFEDSA-N 1 1 283.419 3.412 20 30 CGEDMO CCc1cccc(C[N@H+](C)Cc2cccc(C#N)c2)n1 ZINC001235268744 819059720 /nfs/dbraw/zinc/05/97/20/819059720.db2.gz ZKCVIMDQKPCPRX-UHFFFAOYSA-N 1 1 265.360 3.148 20 30 CGEDMO CCc1cccc(C[N@@H+](C)Cc2cccc(C#N)c2)n1 ZINC001235268744 819059726 /nfs/dbraw/zinc/05/97/26/819059726.db2.gz ZKCVIMDQKPCPRX-UHFFFAOYSA-N 1 1 265.360 3.148 20 30 CGEDMO C=CCCC(=O)NCCC[N@H+](C)Cc1cccc(CC)c1 ZINC001235436048 819099785 /nfs/dbraw/zinc/09/97/85/819099785.db2.gz DMUQTZDWBRAMJH-UHFFFAOYSA-N 1 1 288.435 3.153 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)C1CCCC1 ZINC001235438597 819100195 /nfs/dbraw/zinc/10/01/95/819100195.db2.gz PLGMKWUOFMKNIZ-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC(=O)NCCC[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC001235464569 819105748 /nfs/dbraw/zinc/10/57/48/819105748.db2.gz LFPQDGHKMIPAJM-AWEZNQCLSA-N 1 1 292.398 3.291 20 30 CGEDMO C=CCC[N@@H+](C)CCCNC(=O)CCCC(C)(C)C ZINC001235684544 819142075 /nfs/dbraw/zinc/14/20/75/819142075.db2.gz ZPFAHSRFENYDGQ-UHFFFAOYSA-N 1 1 268.445 3.217 20 30 CGEDMO CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@H](C#N)C2)c(O)c1 ZINC001235678711 819138811 /nfs/dbraw/zinc/13/88/11/819138811.db2.gz MAVHODRMVOVPQT-ZDUSSCGKSA-N 1 1 272.392 3.425 20 30 CGEDMO CC(C)(C)c1ccc(C[N@H+]2CCC[C@@H](C#N)C2)c(O)c1 ZINC001235678711 819138813 /nfs/dbraw/zinc/13/88/13/819138813.db2.gz MAVHODRMVOVPQT-ZDUSSCGKSA-N 1 1 272.392 3.425 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C1(C2CC2)CC1 ZINC001235682312 819140149 /nfs/dbraw/zinc/14/01/49/819140149.db2.gz CFEQNBFZZLUHAX-HOCLYGCPSA-N 1 1 290.451 3.064 20 30 CGEDMO CC[N@H+](CCC#N)Cc1ccc(C(C)(C)C)cc1O ZINC001235683385 819142743 /nfs/dbraw/zinc/14/27/43/819142743.db2.gz FLKHYGMEOKYLMT-UHFFFAOYSA-N 1 1 260.381 3.425 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1ccc(C(C)(C)C)cc1O ZINC001235683385 819142746 /nfs/dbraw/zinc/14/27/46/819142746.db2.gz FLKHYGMEOKYLMT-UHFFFAOYSA-N 1 1 260.381 3.425 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H]1C=CCCC1 ZINC001235775239 819166810 /nfs/dbraw/zinc/16/68/10/819166810.db2.gz BJFJLMUJNLYJKR-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1ccnc(OC)c1Cl ZINC001235837509 819180798 /nfs/dbraw/zinc/18/07/98/819180798.db2.gz GXKZTVFBXNYQID-UHFFFAOYSA-N 1 1 254.761 3.142 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccnc(OC)c1Cl ZINC001235837509 819180800 /nfs/dbraw/zinc/18/08/00/819180800.db2.gz GXKZTVFBXNYQID-UHFFFAOYSA-N 1 1 254.761 3.142 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccc(C(=O)OCC)cn1 ZINC001235873121 819191689 /nfs/dbraw/zinc/19/16/89/819191689.db2.gz LWTVGZGQXGGSGG-UHFFFAOYSA-N 1 1 276.380 3.046 20 30 CGEDMO C[N@H+]1CCc2ccc(-c3ccc(F)c(C#N)c3)cc2C1 ZINC001235899259 819209608 /nfs/dbraw/zinc/20/96/08/819209608.db2.gz HHGUMLPERJAYOZ-UHFFFAOYSA-N 1 1 266.319 3.352 20 30 CGEDMO CCCCCCCC[N@H+](CCCOC)C1CCNCC1 ZINC001235936409 819232769 /nfs/dbraw/zinc/23/27/69/819232769.db2.gz QZLAVFDANUJYSY-UHFFFAOYSA-N 1 1 284.488 3.437 20 30 CGEDMO CCCCCCCC[N@@H+](CCCOC)C1CCNCC1 ZINC001235936409 819232775 /nfs/dbraw/zinc/23/27/75/819232775.db2.gz QZLAVFDANUJYSY-UHFFFAOYSA-N 1 1 284.488 3.437 20 30 CGEDMO C=CCCCC[N@@H+]1CCNC[C@H]1c1cccs1 ZINC001236112318 819326928 /nfs/dbraw/zinc/32/69/28/819326928.db2.gz CMSVAHOWAQBYJQ-ZDUSSCGKSA-N 1 1 250.411 3.051 20 30 CGEDMO C=CCCCC[N@H+]1CCNC[C@H]1c1cccs1 ZINC001236112318 819326933 /nfs/dbraw/zinc/32/69/33/819326933.db2.gz CMSVAHOWAQBYJQ-ZDUSSCGKSA-N 1 1 250.411 3.051 20 30 CGEDMO CCCCCCCCCCCC[N@@H+]1C[C@@H](N)C[C@@H]1CO ZINC001236424157 819471776 /nfs/dbraw/zinc/47/17/76/819471776.db2.gz RVQIAFMONIIENT-DLBZAZTESA-N 1 1 284.488 3.301 20 30 CGEDMO CCCCCCCCCCCC[N@H+]1C[C@@H](N)C[C@@H]1CO ZINC001236424157 819471783 /nfs/dbraw/zinc/47/17/83/819471783.db2.gz RVQIAFMONIIENT-DLBZAZTESA-N 1 1 284.488 3.301 20 30 CGEDMO CC[N@H+](CCC#N)Cc1cc2ccccc2cc1O ZINC001236834634 819613031 /nfs/dbraw/zinc/61/30/31/819613031.db2.gz AOOSLFGGJRVOQP-UHFFFAOYSA-N 1 1 254.333 3.281 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1cc2ccccc2cc1O ZINC001236834634 819613035 /nfs/dbraw/zinc/61/30/35/819613035.db2.gz AOOSLFGGJRVOQP-UHFFFAOYSA-N 1 1 254.333 3.281 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2C3)cc1Br ZINC001236859620 819624151 /nfs/dbraw/zinc/62/41/51/819624151.db2.gz CTQDCKYFCCPZSV-GXFFZTMASA-N 1 1 291.192 3.305 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(-n3ccnc3)c(Cl)c2)C1 ZINC001236914889 819636242 /nfs/dbraw/zinc/63/62/42/819636242.db2.gz WNFXNIDXEDPNNQ-AWEZNQCLSA-N 1 1 299.805 3.371 20 30 CGEDMO N#CC1CC[NH+](Cc2cc(C(F)(F)F)ccc2O)CC1 ZINC001237134749 819675138 /nfs/dbraw/zinc/67/51/38/819675138.db2.gz BSGSMSDZBXTXPA-UHFFFAOYSA-N 1 1 284.281 3.147 20 30 CGEDMO C[N@@H+](Cc1sc(=O)[nH]c1Cl)Cc1cccc(C#N)c1 ZINC001237170501 819688203 /nfs/dbraw/zinc/68/82/03/819688203.db2.gz YASPYGDKCHZZNT-UHFFFAOYSA-N 1 1 293.779 3.006 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc2[nH]c(C(=O)OC)cc2c1 ZINC001237320779 819723852 /nfs/dbraw/zinc/72/38/52/819723852.db2.gz PLOSUCABNLJZBO-UHFFFAOYSA-N 1 1 286.375 3.353 20 30 CGEDMO C=CC[N@H+](Cc1[nH]nc2cc(OC)ccc21)C(C)(C)C ZINC001237397976 819743895 /nfs/dbraw/zinc/74/38/95/819743895.db2.gz NSTWSASEPCUMPE-UHFFFAOYSA-N 1 1 273.380 3.358 20 30 CGEDMO C=CC[N@@H+](Cc1n[nH]c2cc(OC)ccc21)C(C)(C)C ZINC001237397976 819743900 /nfs/dbraw/zinc/74/39/00/819743900.db2.gz NSTWSASEPCUMPE-UHFFFAOYSA-N 1 1 273.380 3.358 20 30 CGEDMO C=CC[N@H+](Cc1n[nH]c2cc(OC)ccc21)C(C)(C)C ZINC001237397976 819743905 /nfs/dbraw/zinc/74/39/05/819743905.db2.gz NSTWSASEPCUMPE-UHFFFAOYSA-N 1 1 273.380 3.358 20 30 CGEDMO Cn1cc(C[N@H+]2CCCC2(C)C)c2cc(C#N)ccc21 ZINC001237464426 819757044 /nfs/dbraw/zinc/75/70/44/819757044.db2.gz DMWAZJGMUJGLEF-UHFFFAOYSA-N 1 1 267.376 3.424 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@H]2c2ccccc2F)ccn1 ZINC001237470648 819759003 /nfs/dbraw/zinc/75/90/03/819759003.db2.gz UIPZTSYWMXFKRZ-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@H]2c2ccccc2F)ccn1 ZINC001237470648 819759009 /nfs/dbraw/zinc/75/90/09/819759009.db2.gz UIPZTSYWMXFKRZ-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@@H](CF)C2)c2cc(C#N)ccc21 ZINC001237471679 819759586 /nfs/dbraw/zinc/75/95/86/819759586.db2.gz XFBILEYHHDAOLC-AWEZNQCLSA-N 1 1 285.366 3.231 20 30 CGEDMO COc1c(C)cccc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001237515365 819769466 /nfs/dbraw/zinc/76/94/66/819769466.db2.gz YRFHWDZVCMKBNK-CQSZACIVSA-N 1 1 258.365 3.129 20 30 CGEDMO C[C@H]1CC[N@H+](Cc2cc(C#N)c(F)cc2F)[C@@H](C)C1 ZINC001237535357 819774415 /nfs/dbraw/zinc/77/44/15/819774415.db2.gz XNOTWBCQUMRANB-QWRGUYRKSA-N 1 1 264.319 3.457 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2cc(C#N)c(F)cc2F)[C@@H](C)C1 ZINC001237535357 819774419 /nfs/dbraw/zinc/77/44/19/819774419.db2.gz XNOTWBCQUMRANB-QWRGUYRKSA-N 1 1 264.319 3.457 20 30 CGEDMO CCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(F)c1 ZINC001237635665 819793690 /nfs/dbraw/zinc/79/36/90/819793690.db2.gz VAPQLZAMOYYSNA-XMQYKBBCSA-N 1 1 288.366 3.491 20 30 CGEDMO Cc1coc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)n1 ZINC001237642528 819795696 /nfs/dbraw/zinc/79/56/96/819795696.db2.gz KHYGPSJQAUHJAU-UHFFFAOYSA-N 1 1 281.359 3.234 20 30 CGEDMO C=CC[N@@H+](Cc1c[nH]nc1CC)Cc1ccccc1 ZINC001237659593 819800617 /nfs/dbraw/zinc/80/06/17/819800617.db2.gz PJTWWYBBKPYAQH-UHFFFAOYSA-N 1 1 255.365 3.160 20 30 CGEDMO C=CC[N@H+](Cc1c[nH]nc1CC)Cc1ccccc1 ZINC001237659593 819800625 /nfs/dbraw/zinc/80/06/25/819800625.db2.gz PJTWWYBBKPYAQH-UHFFFAOYSA-N 1 1 255.365 3.160 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cccc(-c3ccccn3)n2)C1 ZINC001237834779 819857197 /nfs/dbraw/zinc/85/71/97/819857197.db2.gz ZZFHGSGYIJGHLT-OAHLLOKOSA-N 1 1 292.386 3.269 20 30 CGEDMO CCOC(=O)c1ccccc1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001237891492 819873710 /nfs/dbraw/zinc/87/37/10/819873710.db2.gz JYWZOKFSQHSJIJ-MKZZRHPPSA-N 1 1 298.386 3.130 20 30 CGEDMO CCOC(=O)c1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001237891492 819873720 /nfs/dbraw/zinc/87/37/20/819873720.db2.gz JYWZOKFSQHSJIJ-MKZZRHPPSA-N 1 1 298.386 3.130 20 30 CGEDMO C[C@@]1(CO)CCC[N@@H+](Cc2ccc(C#N)cc2Cl)CC1 ZINC001238080122 819926927 /nfs/dbraw/zinc/92/69/27/819926927.db2.gz LOPVARYMUJXHSH-MRXNPFEDSA-N 1 1 292.810 3.196 20 30 CGEDMO C[N@@H+](CCc1ccncc1)Cc1ccc(Cl)c(C#N)c1 ZINC001238194930 819952399 /nfs/dbraw/zinc/95/23/99/819952399.db2.gz XACAUVHQGORDBO-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO N#Cc1cc(C[N@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)ccc1Cl ZINC001238195453 819952411 /nfs/dbraw/zinc/95/24/11/819952411.db2.gz HHYZTGSHOODDJC-GXTWGEPZSA-N 1 1 288.778 3.013 20 30 CGEDMO CC(C)[N@@H+](C)[C@H]1CCN(Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238199663 819954491 /nfs/dbraw/zinc/95/44/91/819954491.db2.gz XIUISMHOZOZFOR-HNNXBMFYSA-N 1 1 291.826 3.126 20 30 CGEDMO C#CC[N@@H+](C)Cc1cc(F)cc(OCc2ccccc2)c1 ZINC001238385971 819984750 /nfs/dbraw/zinc/98/47/50/819984750.db2.gz ILUXSMLGZYYLBS-UHFFFAOYSA-N 1 1 283.346 3.470 20 30 CGEDMO C#CC[N@H+](C)Cc1cc(F)cc(OCc2ccccc2)c1 ZINC001238385971 819984753 /nfs/dbraw/zinc/98/47/53/819984753.db2.gz ILUXSMLGZYYLBS-UHFFFAOYSA-N 1 1 283.346 3.470 20 30 CGEDMO COc1cc(C[N@@H+](C)CCc2cccc(F)c2)ccc1C#N ZINC001238416285 819987658 /nfs/dbraw/zinc/98/76/58/819987658.db2.gz LHXVEJRXHAZSOD-UHFFFAOYSA-N 1 1 298.361 3.380 20 30 CGEDMO C#CC[N@@H+](C)Cc1cccc(OCc2ccccc2)c1OC ZINC001238752028 820107914 /nfs/dbraw/zinc/10/79/14/820107914.db2.gz OCDBWIIVIVDBKV-UHFFFAOYSA-N 1 1 295.382 3.339 20 30 CGEDMO C#CC[N@H+](C)Cc1cccc(OCc2ccccc2)c1OC ZINC001238752028 820107916 /nfs/dbraw/zinc/10/79/16/820107916.db2.gz OCDBWIIVIVDBKV-UHFFFAOYSA-N 1 1 295.382 3.339 20 30 CGEDMO CCc1cc(C[N@H+]2CCCC[C@H]2COC)ccc1C#N ZINC001238766360 820110911 /nfs/dbraw/zinc/11/09/11/820110911.db2.gz KXDDQNVPVBNIBC-KRWDZBQOSA-N 1 1 272.392 3.122 20 30 CGEDMO CCc1cc(C[N@H+]2CC[C@@]3(C2)CCCCO3)ccc1C#N ZINC001238761587 820111472 /nfs/dbraw/zinc/11/14/72/820111472.db2.gz VELMJZKUVZRQBQ-GOSISDBHSA-N 1 1 284.403 3.266 20 30 CGEDMO CCc1cc(C[NH+]2CC3(C2)C[C@H](F)CS3)ccc1C#N ZINC001238768644 820113674 /nfs/dbraw/zinc/11/36/74/820113674.db2.gz LVAMXUPNDNMFRI-HNNXBMFYSA-N 1 1 290.407 3.150 20 30 CGEDMO CCc1cc(C[N@H+]2CCC[C@@H](CF)C2)ccc1C#N ZINC001238778341 820115785 /nfs/dbraw/zinc/11/57/85/820115785.db2.gz MKZQLPVMIYHPQE-AWEZNQCLSA-N 1 1 260.356 3.302 20 30 CGEDMO C[N@H+]1CCc2ccc(-c3cc(F)c(C#N)c(F)c3)cc2C1 ZINC001239934372 820714253 /nfs/dbraw/zinc/71/42/53/820714253.db2.gz OMGCCCCKZRYDQZ-UHFFFAOYSA-N 1 1 284.309 3.491 20 30 CGEDMO C#Cc1cccc(-c2ccccc2C[NH+]2CCOCC2)c1 ZINC001241919473 822217819 /nfs/dbraw/zinc/21/78/19/822217819.db2.gz IGPFASOHVQTUGU-UHFFFAOYSA-N 1 1 277.367 3.167 20 30 CGEDMO CC[N@H+]1CCc2cc(-c3ccc(O)c(C#N)c3)ccc2C1 ZINC001242564035 823034736 /nfs/dbraw/zinc/03/47/36/823034736.db2.gz PJUXBUWQEARTQS-UHFFFAOYSA-N 1 1 278.355 3.309 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)CCC)C(C)(C)C1 ZINC001330184174 935274135 /nfs/dbraw/zinc/27/41/35/935274135.db2.gz LKOWJSAUJCCLLU-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CCC[N@H+](C)CCCN(C)C(=O)C(C)(C)CC(C)(C)C ZINC001327290388 935051584 /nfs/dbraw/zinc/05/15/84/935051584.db2.gz DIFGCVWCUQUNEL-UHFFFAOYSA-N 1 1 294.483 3.252 20 30 CGEDMO C=C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC001340246903 936400898 /nfs/dbraw/zinc/40/08/98/936400898.db2.gz XJZSAPYBBGKZCB-DOTOQJQBSA-N 1 1 286.419 3.040 20 30 CGEDMO C=C(C)CCC(=O)N1c2ccc(C)cc2[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC001340771674 936413725 /nfs/dbraw/zinc/41/37/25/936413725.db2.gz ULKDHNBASIDVAH-FUHWJXTLSA-N 1 1 298.430 3.486 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2ccc3cnccc3c2)C1 ZINC001343995324 936522148 /nfs/dbraw/zinc/52/21/48/936522148.db2.gz VPKPQRJNTRFIJO-KRWDZBQOSA-N 1 1 268.360 3.012 20 30 CGEDMO C=CCO[C@H]1CCN(c2[nH+]ccc3ccc(C)cc32)C1 ZINC001345722049 936822871 /nfs/dbraw/zinc/82/28/71/936822871.db2.gz DNAQFSIYXYAMKT-HNNXBMFYSA-N 1 1 268.360 3.325 20 30 CGEDMO CC[N@@H+](CCNc1cccc(C(F)F)c1C#N)C1CC1 ZINC001346542133 936852452 /nfs/dbraw/zinc/85/24/52/936852452.db2.gz WYLFHQZAVBFGKU-UHFFFAOYSA-N 1 1 279.334 3.392 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[N@@H+](C2CCCC2)[C@@H](C)C1 ZINC001347813693 936897233 /nfs/dbraw/zinc/89/72/33/936897233.db2.gz MNQQRMONCJVPOT-AWEZNQCLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@@H]1CCCN(C(=O)/C(C)=C\CC)C1 ZINC001480073835 937012535 /nfs/dbraw/zinc/01/25/35/937012535.db2.gz XMTACVMDZCHMKT-QLBUUCPGSA-N 1 1 298.858 3.266 20 30 CGEDMO C=CCCCC(=O)NCC[N@H+](C)[C@@H]1CCc2ccccc21 ZINC001480906426 926769423 /nfs/dbraw/zinc/76/94/23/926769423.db2.gz WJLIJYNKKBDBBR-QGZVFWFLSA-N 1 1 286.419 3.078 20 30 CGEDMO C=C(C)C[N@H+](CC)CCNC(=O)[C@@H]1CCCC[C@H]1CC ZINC001481008347 926858082 /nfs/dbraw/zinc/85/80/82/926858082.db2.gz PACGQWWNKLMTJS-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)CCC1CCCC1 ZINC001481023641 926862470 /nfs/dbraw/zinc/86/24/70/926862470.db2.gz IRKZJQIAUQPMHV-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)C=C1CCCCC1 ZINC001481028709 926865821 /nfs/dbraw/zinc/86/58/21/926865821.db2.gz NSFRSVGKOSEKGM-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)CCC(=O)N1c2ccc(C)cc2[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC001354899583 937115812 /nfs/dbraw/zinc/11/58/12/937115812.db2.gz ULKDHNBASIDVAH-AEFFLSMTSA-N 1 1 298.430 3.486 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CCNC(=O)c1ccsc1)C1CC1 ZINC001481157765 926900102 /nfs/dbraw/zinc/90/01/02/926900102.db2.gz XWEUXKLBIVLYLQ-CYBMUJFWSA-N 1 1 292.448 3.297 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(C)s2)C1 ZINC001481476339 926995193 /nfs/dbraw/zinc/99/51/93/926995193.db2.gz VHDHSTFETMBNDZ-CQSZACIVSA-N 1 1 292.448 3.027 20 30 CGEDMO CCCCCCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(F)F)C1 ZINC001481474123 926996261 /nfs/dbraw/zinc/99/62/61/926996261.db2.gz HUAPPQFPNZCZDT-ZDUSSCGKSA-N 1 1 290.398 3.002 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)C=C(CC)CC)C1 ZINC001481481739 926998531 /nfs/dbraw/zinc/99/85/31/926998531.db2.gz LONXNBLXEAPQMM-INIZCTEOSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCN(C(=O)C2CCC(C)(C)CC2)C1 ZINC001481509913 927008813 /nfs/dbraw/zinc/00/88/13/927008813.db2.gz RPWLSWODOQPNHA-OAHLLOKOSA-N 1 1 292.467 3.169 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)c2cc(C)cs2)C1 ZINC001481556124 927025134 /nfs/dbraw/zinc/02/51/34/927025134.db2.gz KUSAXLMGZXCLTN-UHFFFAOYSA-N 1 1 294.464 3.441 20 30 CGEDMO C=CCC(CC=C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](C)CC ZINC001481670829 927050660 /nfs/dbraw/zinc/05/06/60/927050660.db2.gz KUFLKAQOOHUPNJ-XIRDDKMYSA-N 1 1 290.451 3.086 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H](C)CC ZINC001481679803 927056364 /nfs/dbraw/zinc/05/63/64/927056364.db2.gz MXIKUQKGOHJQJH-JYJNAYRXSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)CCC=C(C)C)C1 ZINC001481693117 927061457 /nfs/dbraw/zinc/06/14/57/927061457.db2.gz FFLQOZLUAGIIBK-HOTGVXAUSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001481689104 927061903 /nfs/dbraw/zinc/06/19/03/927061903.db2.gz VLBNRVKSYJWLHQ-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCCCC(=O)N(C)[C@H]1CC[N@H+](C[C@H](C)CC(C)C)C1 ZINC001481725085 927076031 /nfs/dbraw/zinc/07/60/31/927076031.db2.gz XBPOECSAUURAJR-SJORKVTESA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)/C=C\C(C)(C)C)C1 ZINC001481761960 927082139 /nfs/dbraw/zinc/08/21/39/927082139.db2.gz POJUNYCKYGCTSV-JXMNSVBMSA-N 1 1 292.467 3.478 20 30 CGEDMO CC[N@H+]1CC[C@H](Oc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC001226140177 927214776 /nfs/dbraw/zinc/21/47/76/927214776.db2.gz HSDAQROEAUQSON-LBPRGKRZSA-N 1 1 284.281 3.050 20 30 CGEDMO C=C[C@H](CC)CC(=O)N(C)CC[N@@H+](C)CCC(C)(C)C ZINC001482621184 927329595 /nfs/dbraw/zinc/32/95/95/927329595.db2.gz HKFQWQWGVWQUGR-OAHLLOKOSA-N 1 1 282.472 3.415 20 30 CGEDMO C=CCC(C)(C)C(=O)N(C)CC[N@H+](C)C[C@@H](C)CC ZINC001482630796 927331722 /nfs/dbraw/zinc/33/17/22/927331722.db2.gz AMADXYNXVPPYIB-AWEZNQCLSA-N 1 1 268.445 3.025 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2CN(C(=O)C3(CCC)CC3)CC[C@H]21 ZINC001496861540 927462405 /nfs/dbraw/zinc/46/24/05/927462405.db2.gz HCTOOILEAXKRJS-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H](C)C[N@@H+](C)Cc1cccc(C)c1 ZINC001483342785 927486551 /nfs/dbraw/zinc/48/65/51/927486551.db2.gz OAECHFTZWIABGF-INIZCTEOSA-N 1 1 288.435 3.288 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@H](C)NC(=O)C1C=CC=CC=C1 ZINC001483344060 927486631 /nfs/dbraw/zinc/48/66/31/927486631.db2.gz OPYFLQYAXZMESB-HOTGVXAUSA-N 1 1 288.435 3.076 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)c1cscc1Cl ZINC001483351331 927488168 /nfs/dbraw/zinc/48/81/68/927488168.db2.gz LDYALQPLPRNKAQ-JTQLQIEISA-N 1 1 286.828 3.028 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H](C)C[N@@H+](C)CC1CCCCC1 ZINC001483372863 927489705 /nfs/dbraw/zinc/48/97/05/927489705.db2.gz PXSXIJPTOLVWLJ-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)c1cccs1 ZINC001483382171 927492228 /nfs/dbraw/zinc/49/22/28/927492228.db2.gz AXWRCOYAAYAXES-KBPBESRZSA-N 1 1 294.464 3.254 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(C)cc1 ZINC001483653220 927559720 /nfs/dbraw/zinc/55/97/20/927559720.db2.gz MQVWFWPJJDXBCP-KRWDZBQOSA-N 1 1 286.419 3.042 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@](C)(NC(=O)c2ccoc2)C1 ZINC001484028939 927663766 /nfs/dbraw/zinc/66/37/66/927663766.db2.gz GDRSKEWRRZAINV-KRWDZBQOSA-N 1 1 290.407 3.220 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)CC2=CCCCC2)C1 ZINC001484037805 927665077 /nfs/dbraw/zinc/66/50/77/927665077.db2.gz PKEMHCDWNDRZCA-QGZVFWFLSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)CCC(=O)N[C@]1(C)CC[N@H+](CCCCC)C1 ZINC001484050395 927667279 /nfs/dbraw/zinc/66/72/79/927667279.db2.gz UPVUNNZOAPYKPN-MRXNPFEDSA-N 1 1 266.429 3.114 20 30 CGEDMO C=C(C)CCC(=O)N[C@@]1(C)CC[N@H+](CCCCC)C1 ZINC001484050393 927667716 /nfs/dbraw/zinc/66/77/16/927667716.db2.gz UPVUNNZOAPYKPN-INIZCTEOSA-N 1 1 266.429 3.114 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](F)CC2CCCCC2)C1 ZINC001484068007 927669728 /nfs/dbraw/zinc/66/97/28/927669728.db2.gz OFALKTQNIFLEFB-NVXWUHKLSA-N 1 1 296.430 3.062 20 30 CGEDMO C#Cc1ccc(C(=O)N[C@]2(C)CC[N@H+](CCCCC)C2)cc1 ZINC001484054878 927669780 /nfs/dbraw/zinc/66/97/80/927669780.db2.gz STOWRMOQAFZSAS-LJQANCHMSA-N 1 1 298.430 3.052 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCCC ZINC001484453353 927707110 /nfs/dbraw/zinc/70/71/10/927707110.db2.gz MVHZPVLUFUSVEC-JKSUJKDBSA-N 1 1 278.440 3.208 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC001358074448 937186965 /nfs/dbraw/zinc/18/69/65/937186965.db2.gz PEQVAJYRFXBAGP-RDJZCZTQSA-N 1 1 290.382 3.043 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1(CC)CC1 ZINC001484463664 927709905 /nfs/dbraw/zinc/70/99/05/927709905.db2.gz KBTGWRFJWSNABP-HZPDHXFCSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC(C)C ZINC001484457637 927710402 /nfs/dbraw/zinc/71/04/02/927710402.db2.gz WUULCSCXESMVNV-JKSUJKDBSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CCC[N@@H+](CCCCCF)CC1 ZINC001484714875 927738776 /nfs/dbraw/zinc/73/87/76/927738776.db2.gz GSBTZGFBGGRJTM-INIZCTEOSA-N 1 1 298.446 3.453 20 30 CGEDMO C#CCC[N@H+](C)CCCN(C)C(=O)[C@]1(C)CCC[C@@H]1CC ZINC001484747045 927747887 /nfs/dbraw/zinc/74/78/87/927747887.db2.gz LPKJZDLPTVIGML-FUHWJXTLSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)c1ccoc1Cl ZINC001484740269 927748296 /nfs/dbraw/zinc/74/82/96/927748296.db2.gz BPOGCWBVRBVZCH-UHFFFAOYSA-N 1 1 298.814 3.293 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)CC=C)C(C)(C)C1 ZINC001484941178 927774492 /nfs/dbraw/zinc/77/44/92/927774492.db2.gz YDDLLWQVIPQHNR-HNNXBMFYSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)CC(C)(C)C1CC1 ZINC001485055534 927792354 /nfs/dbraw/zinc/79/23/54/927792354.db2.gz MGSZGGIVYLMMCJ-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1C[N@@H+](C)C/C=C/Cl ZINC001485069063 927799034 /nfs/dbraw/zinc/79/90/34/927799034.db2.gz LDZJMLAXFWSGDS-DYIUODAASA-N 1 1 298.858 3.264 20 30 CGEDMO C=CCCC(=O)N1CCC([C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001485084992 927806194 /nfs/dbraw/zinc/80/61/94/927806194.db2.gz QMSPEWSJJCWMNX-KRWDZBQOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)C[C@@H]1CC=CCC1 ZINC001485339082 927851181 /nfs/dbraw/zinc/85/11/81/927851181.db2.gz WFJRIYMOOOTZGH-JKSUJKDBSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)C1(CC=C)CCCC1 ZINC001485395361 927858564 /nfs/dbraw/zinc/85/85/64/927858564.db2.gz ZFSJNPIXXRRJOA-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)C[C@@H](C)c1ccccc1 ZINC001485382137 927859153 /nfs/dbraw/zinc/85/91/53/927859153.db2.gz SKMFKOOHTVUZPO-HZPDHXFCSA-N 1 1 288.435 3.193 20 30 CGEDMO CC[C@H]1CC[N@@H+](CCOc2cccc(C#N)c2)[C@H]1C ZINC001473402582 937199240 /nfs/dbraw/zinc/19/92/40/937199240.db2.gz LGEXZHHVZLBBBJ-ZFWWWQNUSA-N 1 1 258.365 3.057 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)Cc1c(F)cccc1Cl ZINC001473431354 937199611 /nfs/dbraw/zinc/19/96/11/937199611.db2.gz BNUMENYQTZRZIP-UHFFFAOYSA-N 1 1 284.806 3.419 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)CC(C)(C)CC)C(C)(C)C1 ZINC001485568848 927888937 /nfs/dbraw/zinc/88/89/37/927888937.db2.gz GTLWTMYHCJAONH-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1C[N@H+](CCC(C)(C)C)CC1(C)C ZINC001485567997 927890055 /nfs/dbraw/zinc/89/00/55/927890055.db2.gz QWSDVMNYMSPJMV-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)C(C)(C)C(=C)C)C(C)(C)C1 ZINC001485574247 927892239 /nfs/dbraw/zinc/89/22/39/927892239.db2.gz OUURQRCSYWLHND-HNNXBMFYSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)CC)C[C@@]2(C)C1 ZINC001485666900 927899469 /nfs/dbraw/zinc/89/94/69/927899469.db2.gz UJPBJDXFFCXDCD-RYQLBKOJSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NCC1=CC[N@@H+](C[C@@H](F)CC)CC1 ZINC001486512784 928028971 /nfs/dbraw/zinc/02/89/71/928028971.db2.gz ALKPRDSTOGQAOH-HOCLYGCPSA-N 1 1 296.430 3.085 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)SC ZINC001230848754 928073835 /nfs/dbraw/zinc/07/38/35/928073835.db2.gz KNXRDWWGVGFOPF-GJZGRUSLSA-N 1 1 298.496 3.017 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CCSCC ZINC001230890447 928075861 /nfs/dbraw/zinc/07/58/61/928075861.db2.gz UERJLZNUZKCLDJ-LSDHHAIUSA-N 1 1 298.496 3.017 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1-c1cc(F)cc(C#N)c1 ZINC001241657725 928091130 /nfs/dbraw/zinc/09/11/30/928091130.db2.gz DPSKOCRJLNXQDY-UHFFFAOYSA-N 1 1 255.296 3.134 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCc3cc(OC)ccc3C2)cc1 ZINC001144568346 928198506 /nfs/dbraw/zinc/19/85/06/928198506.db2.gz RKIFOWMTWGXBKB-UHFFFAOYSA-N 1 1 277.367 3.235 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@]2(C1)CCCCO2 ZINC001171208805 928201848 /nfs/dbraw/zinc/20/18/48/928201848.db2.gz FBZZYRRTDSSXTP-YJBOKZPZSA-N 1 1 284.403 3.134 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@](C)(F)C1 ZINC001171208873 928202121 /nfs/dbraw/zinc/20/21/21/928202121.db2.gz GKZHCJNLAHZUMH-CJNGLKHVSA-N 1 1 260.356 3.313 20 30 CGEDMO Cn1c[nH+]c2cccc(Nc3ccc(F)c(C#N)c3)c21 ZINC001176616490 928237218 /nfs/dbraw/zinc/23/72/18/928237218.db2.gz YSPZNTUOINVLNB-UHFFFAOYSA-N 1 1 266.279 3.328 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)CCCCC ZINC001488691970 928291152 /nfs/dbraw/zinc/29/11/52/928291152.db2.gz LHIWKOKXTBUWAL-INIZCTEOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(C)CCC(C)CC1 ZINC001488698240 928293520 /nfs/dbraw/zinc/29/35/20/928293520.db2.gz ILTBDSLWIQTKJU-UPTPFMHGSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@H]1CCCCC1(C)C ZINC001488705138 928296341 /nfs/dbraw/zinc/29/63/41/928296341.db2.gz ZXQJQDRNKCROBR-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[C@H]([N@@H+](C)CC2CCC2)C1 ZINC001480733775 937235938 /nfs/dbraw/zinc/23/59/38/937235938.db2.gz SMEYLLNRAVUFOI-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCC(=O)N1C[C@@H]2C[N@@H+](CCC(C)C)CC[C@@H]2C1 ZINC001489203385 928316792 /nfs/dbraw/zinc/31/67/92/928316792.db2.gz ZEDKIZNFQHQPQS-SJORKVTESA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)CC)CC(C)(C)C1 ZINC001489342505 928330015 /nfs/dbraw/zinc/33/00/15/928330015.db2.gz AWOSHKJEBCWHFV-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC1(C(=O)NCCC[N@H+](C)CCC)CCCCC1 ZINC001490281892 928339923 /nfs/dbraw/zinc/33/99/23/928339923.db2.gz TYICZKXEAJPRQF-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO CC/C=C\CC[N@@H+](CC)CCCNC(=O)C#CC(C)(C)C ZINC001490324842 928347500 /nfs/dbraw/zinc/34/75/00/928347500.db2.gz LXJMJUMKWWTZSG-HJWRWDBZSA-N 1 1 292.467 3.220 20 30 CGEDMO C=CCC[N@@H+](CCCNC(=O)[C@@]12C[C@@H]1CCCC2)C1CC1 ZINC001490386165 928352378 /nfs/dbraw/zinc/35/23/78/928352378.db2.gz XUXRDSXGVHFMCS-YJBOKZPZSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](CNC(=O)C[C@H]2CCCCC2(C)C)C1 ZINC001493272700 937240025 /nfs/dbraw/zinc/24/00/25/937240025.db2.gz XAKZCWDGDIPMHX-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)c1occc1Cl)C(C)C ZINC001317699447 928395538 /nfs/dbraw/zinc/39/55/38/928395538.db2.gz IHIWVTHPUKRPDD-UHFFFAOYSA-N 1 1 298.814 3.339 20 30 CGEDMO C=C(C)C[N@H+](C)CCNC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC001492865599 937242768 /nfs/dbraw/zinc/24/27/68/937242768.db2.gz CMXRTJGNJKWECF-ZDUSSCGKSA-N 1 1 294.826 3.068 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC1(C)CC1 ZINC001490804635 928408624 /nfs/dbraw/zinc/40/86/24/928408624.db2.gz ULIPPKCRRJCAOH-IYBDPMFKSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)CC(C)(C)C)C1 ZINC001491088217 928829942 /nfs/dbraw/zinc/82/99/42/928829942.db2.gz COVXBAXKSVWYAA-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)c2ccco2)C1 ZINC001491090945 928831136 /nfs/dbraw/zinc/83/11/36/928831136.db2.gz PRLQACQBFNVMAG-GJZGRUSLSA-N 1 1 290.407 3.076 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)C2(CC)CCC2)C1 ZINC001491116218 928833490 /nfs/dbraw/zinc/83/34/90/928833490.db2.gz IZUZRDLGGKMEKJ-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCC(C)C ZINC001491195961 928841287 /nfs/dbraw/zinc/84/12/87/928841287.db2.gz JVJPZUFYWDZCRQ-MRXNPFEDSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCCCCN(C)C(=O)[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001444423954 937352120 /nfs/dbraw/zinc/35/21/20/937352120.db2.gz QVYJIHPELBHRGR-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO CCc1c[nH]c2nc[nH+]c(NCc3cc(C#N)ccc3F)c12 ZINC001458214320 937455189 /nfs/dbraw/zinc/45/51/89/937455189.db2.gz YXEJTFFINALYIF-UHFFFAOYSA-N 1 1 295.321 3.143 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)c1nc2cccc(C)c2o1 ZINC001458453759 937463400 /nfs/dbraw/zinc/46/34/00/937463400.db2.gz CVXWYOYGQHUBGS-UHFFFAOYSA-N 1 1 273.380 3.080 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](Nc2nc3c(cccc3C)s2)C1 ZINC001458595815 937469864 /nfs/dbraw/zinc/46/98/64/937469864.db2.gz YHCDJRDVGNRCNF-ZDUSSCGKSA-N 1 1 285.416 3.114 20 30 CGEDMO C[C@@H](c1ccco1)[N@@H+](C[C@@H](O)c1cccc(C#N)c1)C1CC1 ZINC001459722250 937497569 /nfs/dbraw/zinc/49/75/69/937497569.db2.gz YEIDZWRMXKKQGH-SUMWQHHRSA-N 1 1 296.370 3.410 20 30 CGEDMO Cc1ncsc1CCC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC001459807519 937501970 /nfs/dbraw/zinc/50/19/70/937501970.db2.gz KEEFHGNZNOOZOV-CQSZACIVSA-N 1 1 263.410 3.010 20 30 CGEDMO Cc1ncsc1CCC[N@H+]1CCC[C@](C)(C#N)C1 ZINC001459807519 937501971 /nfs/dbraw/zinc/50/19/71/937501971.db2.gz KEEFHGNZNOOZOV-CQSZACIVSA-N 1 1 263.410 3.010 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)CCCCCCCNC(=O)OC(C)(C)C ZINC001460028960 937511921 /nfs/dbraw/zinc/51/19/21/937511921.db2.gz KGFNHVNVGQSUBC-OAHLLOKOSA-N 1 1 296.455 3.415 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC001460071362 937514195 /nfs/dbraw/zinc/51/41/95/937514195.db2.gz PNHYNJQMQXCZNM-INIZCTEOSA-N 1 1 294.439 3.476 20 30 CGEDMO CCCCCCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(N)=O)C1 ZINC001460245846 937521865 /nfs/dbraw/zinc/52/18/65/937521865.db2.gz GVUMBAQQLWDRIF-DLBZAZTESA-N 1 1 288.435 3.158 20 30 CGEDMO C#CCCCCCC[N@@H+]1CC(C)(C)OC[C@H]1CC ZINC001460370168 937529359 /nfs/dbraw/zinc/52/93/59/937529359.db2.gz NHEQCIHONWEMGP-OAHLLOKOSA-N 1 1 251.414 3.460 20 30 CGEDMO C[N@H+](Cc1ccc(-c2cc(C#N)ccn2)cc1)CC1CC1 ZINC001139400592 931952777 /nfs/dbraw/zinc/95/27/77/931952777.db2.gz YSPURYRZNUWGFT-UHFFFAOYSA-N 1 1 277.371 3.462 20 30 CGEDMO C=CC[N@H+](C)Cc1c[nH]c2ncc(C(F)(F)F)cc12 ZINC001139539978 931953233 /nfs/dbraw/zinc/95/32/33/931953233.db2.gz VZEKKCNWXPTOFC-UHFFFAOYSA-N 1 1 269.270 3.200 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1[C@H](CC)C(=O)N(C)c1ccc(C)cc1 ZINC001460902512 937551688 /nfs/dbraw/zinc/55/16/88/937551688.db2.gz AXJNNMRAUNPMDK-DLBZAZTESA-N 1 1 286.419 3.387 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1cccc(OC)c1Cl ZINC001460907165 937552481 /nfs/dbraw/zinc/55/24/81/937552481.db2.gz NSDQATOCIVYKPO-LBPRGKRZSA-N 1 1 251.757 3.499 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@H]2[C@H]1CCCN2CCO ZINC001460913053 937552622 /nfs/dbraw/zinc/55/26/22/937552622.db2.gz RJEFOUKLXTWCOO-MSOLQXFVSA-N 1 1 296.499 3.268 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)CCC(C)(C)C ZINC001155910130 931977882 /nfs/dbraw/zinc/97/78/82/931977882.db2.gz DKAXZPWSGHRVMC-CQSZACIVSA-N 1 1 268.445 3.215 20 30 CGEDMO C#CC[N@H+](CCSc1ccc(F)cc1F)C(C)C ZINC001460819220 937546449 /nfs/dbraw/zinc/54/64/49/937546449.db2.gz UDRJXOLPNCHFJQ-UHFFFAOYSA-N 1 1 269.360 3.401 20 30 CGEDMO C#CC[N@@H+](Cc1cccc(C(=O)OC(C)(C)C)c1)C(C)C ZINC001460817406 937546779 /nfs/dbraw/zinc/54/67/79/937546779.db2.gz OWTNAJOUZWYNDI-UHFFFAOYSA-N 1 1 287.403 3.486 20 30 CGEDMO N#Cc1cc(F)cc(C[N@H+](Cc2ccco2)C2CC2)c1 ZINC000163589871 932003454 /nfs/dbraw/zinc/00/34/54/932003454.db2.gz RPXYKHFQZKWPTQ-UHFFFAOYSA-N 1 1 270.307 3.455 20 30 CGEDMO N#Cc1cc(F)cc(C[N@@H+](Cc2ccco2)C2CC2)c1 ZINC000163589871 932003466 /nfs/dbraw/zinc/00/34/66/932003466.db2.gz RPXYKHFQZKWPTQ-UHFFFAOYSA-N 1 1 270.307 3.455 20 30 CGEDMO C[N@H+]1CCC[C@@H](Oc2cccc(C#N)c2Cl)CC1 ZINC001229067656 932086104 /nfs/dbraw/zinc/08/61/04/932086104.db2.gz OMZTZRIGSMFCPP-GFCCVEGCSA-N 1 1 264.756 3.075 20 30 CGEDMO C=C(C)c1ccc(O[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC001229079692 932089489 /nfs/dbraw/zinc/08/94/89/932089489.db2.gz YASZLOVIFHWTNY-OAHLLOKOSA-N 1 1 254.333 3.310 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)CC[C@@H](C)CC)CC1 ZINC001229716257 932473519 /nfs/dbraw/zinc/47/35/19/932473519.db2.gz VSJOZESFGXCGED-LBPRGKRZSA-N 1 1 286.847 3.146 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H]1C1CCN(C(=O)C2CC2)CC1 ZINC001230490595 932577255 /nfs/dbraw/zinc/57/72/55/932577255.db2.gz PVXXQPRRYGYUOV-KRWDZBQOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1CCC([C@@H]2CCC[N@@H+]2CC)CC1 ZINC001230587450 932593907 /nfs/dbraw/zinc/59/39/07/932593907.db2.gz SEDHDEBAXQYYML-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)/C=C(\C)C1CC1 ZINC001230957689 932648312 /nfs/dbraw/zinc/64/83/12/932648312.db2.gz IAMYAYMVHFURNP-DVINNUGASA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)/C(C)=C/CC ZINC001231004670 932656194 /nfs/dbraw/zinc/65/61/94/932656194.db2.gz MQIZUSAOFQFYJI-GQXMGIGRSA-N 1 1 278.440 3.230 20 30 CGEDMO CC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232115040 932681369 /nfs/dbraw/zinc/68/13/69/932681369.db2.gz DDENSFBVSHXPJC-CQSZACIVSA-N 1 1 276.767 3.013 20 30 CGEDMO CC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232115040 932681373 /nfs/dbraw/zinc/68/13/73/932681373.db2.gz DDENSFBVSHXPJC-CQSZACIVSA-N 1 1 276.767 3.013 20 30 CGEDMO C=CC[C@H]([NH2+][C@@H](CC)CCC(F)(F)F)C(=O)OCC ZINC001462194267 937624054 /nfs/dbraw/zinc/62/40/54/937624054.db2.gz YKKMHSFGNMOSIU-QWRGUYRKSA-N 1 1 281.318 3.205 20 30 CGEDMO N#C[C@@H]1CC[C@H]([NH2+]Cc2c(Cl)cncc2Cl)C1 ZINC001254643930 932725461 /nfs/dbraw/zinc/72/54/61/932725461.db2.gz SDUMHGNTYYBNCI-BDAKNGLRSA-N 1 1 270.163 3.170 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([NH2+]Cc2c(Cl)cncc2Cl)C1 ZINC001254643932 932725490 /nfs/dbraw/zinc/72/54/90/932725490.db2.gz SDUMHGNTYYBNCI-RKDXNWHRSA-N 1 1 270.163 3.170 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)CC=C ZINC001316604811 932746645 /nfs/dbraw/zinc/74/66/45/932746645.db2.gz UYYOBGMNWBIZRL-OAHLLOKOSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)C2(F)CCCC2)C1 ZINC001491934096 932798213 /nfs/dbraw/zinc/79/82/13/932798213.db2.gz HCOAXDBGWNROIN-HNNXBMFYSA-N 1 1 296.430 3.158 20 30 CGEDMO CC#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)C(CC)CC)C1 ZINC001491933990 932798685 /nfs/dbraw/zinc/79/86/85/932798685.db2.gz GWNDFFVGIHXWOY-RDJZCZTQSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@H]([N@@H+](C)C/C=C\Cl)C2)C1 ZINC001491946821 932798719 /nfs/dbraw/zinc/79/87/19/932798719.db2.gz KDSWZKOEZFMPOS-VSKVDJIOSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)/C=C\C(C)(C)C)C1 ZINC001317200947 932819319 /nfs/dbraw/zinc/81/93/19/932819319.db2.gz NKFWYCZMFJJICU-VNEPOGMYSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CC(C)(C)CCCNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC001306891443 932891141 /nfs/dbraw/zinc/89/11/41/932891141.db2.gz FEBUDQZOYVNBDZ-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)C[C@H]1CC[C@H](c2ccccc2)O1 ZINC001307680863 932985144 /nfs/dbraw/zinc/98/51/44/932985144.db2.gz YBOKBOQMUHEVBQ-HZPDHXFCSA-N 1 1 257.377 3.250 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCCC[C@H]1COC(=O)N(C)C ZINC001307754016 932997681 /nfs/dbraw/zinc/99/76/81/932997681.db2.gz UBUYJMPTRXKQNO-INIZCTEOSA-N 1 1 294.439 3.123 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1OC(C)C)[C@H](C)COC ZINC001307922792 933021100 /nfs/dbraw/zinc/02/11/00/933021100.db2.gz ASTCOMFPCDYJML-OAHLLOKOSA-N 1 1 277.408 3.497 20 30 CGEDMO N#C[C@H]1CC[C@@H]([N@@H+]2C[C@H]3[C@H](C[C@@H]3c3ccccc3)C2)C1 ZINC001307998098 933032679 /nfs/dbraw/zinc/03/26/79/933032679.db2.gz YMJIGYNPZCLGLW-XBKGKQEASA-N 1 1 266.388 3.414 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC001308022451 933036174 /nfs/dbraw/zinc/03/61/74/933036174.db2.gz MAUARBMPYDGHMM-HUUCEWRRSA-N 1 1 294.439 3.284 20 30 CGEDMO CC#CC[N@@H+](C)C1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC001308042505 933038616 /nfs/dbraw/zinc/03/86/16/933038616.db2.gz BKNDJQZCITZFMP-UHFFFAOYSA-N 1 1 294.439 3.169 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cccc(F)c2Cl)C1 ZINC001308068160 933042765 /nfs/dbraw/zinc/04/27/65/933042765.db2.gz MZPJTUONTPEBHB-LLVKDONJSA-N 1 1 251.732 3.324 20 30 CGEDMO C#CC[N@H+](Cc1cc(C(=O)OC)sc1C)C(C)(C)C ZINC001308087909 933046598 /nfs/dbraw/zinc/04/65/98/933046598.db2.gz JZJSHZPXEMTLBZ-UHFFFAOYSA-N 1 1 279.405 3.077 20 30 CGEDMO Cc1ccc(CN2CC[N@H+](C)C[C@@H]2CC(C)C)cc1C#N ZINC001308099245 933048685 /nfs/dbraw/zinc/04/86/85/933048685.db2.gz DMZDHWKQUVBXDV-SFHVURJKSA-N 1 1 285.435 3.029 20 30 CGEDMO Cc1ccc(C[N@H+]2CCN(C)C[C@@H]2CC(C)C)cc1C#N ZINC001308099245 933048690 /nfs/dbraw/zinc/04/86/90/933048690.db2.gz DMZDHWKQUVBXDV-SFHVURJKSA-N 1 1 285.435 3.029 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCN(C)C[C@@H]2CC(C)C)cc1C#N ZINC001308099245 933048694 /nfs/dbraw/zinc/04/86/94/933048694.db2.gz DMZDHWKQUVBXDV-SFHVURJKSA-N 1 1 285.435 3.029 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCCC[C@@H]1Cc1ccc(O)cc1 ZINC001308149333 933058223 /nfs/dbraw/zinc/05/82/23/933058223.db2.gz KVUFZUSZRAWXSM-AEFFLSMTSA-N 1 1 289.419 3.116 20 30 CGEDMO C=CCC[N@@H+]1C2CCC1(CNC(=O)OC(C)(C)C)CC2 ZINC001308149311 933058692 /nfs/dbraw/zinc/05/86/92/933058692.db2.gz KEUIFXBRJXLRIZ-UHFFFAOYSA-N 1 1 280.412 3.084 20 30 CGEDMO C=C(C)C[C@H]([NH2+]C(CCC)CCC)C(=O)OCC ZINC001308918751 933204718 /nfs/dbraw/zinc/20/47/18/933204718.db2.gz RQHXNPXGDMJMFA-AWEZNQCLSA-N 1 1 255.402 3.443 20 30 CGEDMO C=CCC1(NC(=O)NCC[N@H+](C)[C@@H](C)CC)CCCCC1 ZINC001311859236 933318629 /nfs/dbraw/zinc/31/86/29/933318629.db2.gz PDVPPBBGOWOSBW-HNNXBMFYSA-N 1 1 295.471 3.295 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CC[N@H+](CC[C@@H](C)F)[C@@H]1C ZINC001316782597 933480299 /nfs/dbraw/zinc/48/02/99/933480299.db2.gz AMRPKJCLEFQYHT-FMKPAKJESA-N 1 1 296.430 3.082 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)CCC=C ZINC001316804047 933482182 /nfs/dbraw/zinc/48/21/82/933482182.db2.gz VJHOINYLWOCXMO-INIZCTEOSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001464423133 937689920 /nfs/dbraw/zinc/68/99/20/937689920.db2.gz CFTQMWDBHGVXAQ-QLFBSQMISA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)C2(F)CCCCC2)C1 ZINC001316992924 933508260 /nfs/dbraw/zinc/50/82/60/933508260.db2.gz WDDMJACCVBJPHX-LSDHHAIUSA-N 1 1 296.430 3.204 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)CC(C)C)C1 ZINC001317038111 933519276 /nfs/dbraw/zinc/51/92/76/933519276.db2.gz AVCVTYHOMKLKTH-MRXNPFEDSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)/C=C/C(C)(C)C)C1 ZINC001317133770 933536738 /nfs/dbraw/zinc/53/67/38/933536738.db2.gz OGYBFAPHVIONEM-DZZUKKPASA-N 1 1 292.467 3.383 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@](C)(CC)CCC)C1 ZINC001317143204 933541256 /nfs/dbraw/zinc/54/12/56/933541256.db2.gz LHJPXGUHLHQSDZ-DOTOQJQBSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)CC1CC(C)(C)C1 ZINC001317174656 933547495 /nfs/dbraw/zinc/54/74/95/933547495.db2.gz VYXRZVXHOHWBBQ-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCCCC(=O)NCCC[C@@H]1CCC[N@@H+]1CC=C(C)C ZINC001317420944 933591282 /nfs/dbraw/zinc/59/12/82/933591282.db2.gz KQNSETGQZGRQIX-QGZVFWFLSA-N 1 1 290.451 3.117 20 30 CGEDMO C=C(C)C[N@@H+](CCNC(=O)c1c(C)cccc1C)C1CC1 ZINC001317558529 933619742 /nfs/dbraw/zinc/61/97/42/933619742.db2.gz JWKOSTKYQNGQGY-UHFFFAOYSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC(C)(C)CC(=O)N(CCC)[C@@H]1CC[N@@H+](CCC)C1 ZINC001317760127 933644464 /nfs/dbraw/zinc/64/44/64/933644464.db2.gz ZBWQGVMKXUVEPS-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCn1cnn(C[N@@H+](CC)C2CCCCC2)c1=S ZINC001317773388 933647702 /nfs/dbraw/zinc/64/77/02/933647702.db2.gz XJAYJPVYAMRRKR-UHFFFAOYSA-N 1 1 280.441 3.212 20 30 CGEDMO C=CCn1cnn(C[N@H+](CC)C2CCCCC2)c1=S ZINC001317773388 933647705 /nfs/dbraw/zinc/64/77/05/933647705.db2.gz XJAYJPVYAMRRKR-UHFFFAOYSA-N 1 1 280.441 3.212 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)c2sccc2C)C1 ZINC001317824171 933654969 /nfs/dbraw/zinc/65/49/69/933654969.db2.gz MEDCVPXHHUWLOX-CQSZACIVSA-N 1 1 292.448 3.027 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)C2CCC=CCC2)C1 ZINC001317811669 933655155 /nfs/dbraw/zinc/65/51/55/933655155.db2.gz PVWZIUFRLVRRCK-MRXNPFEDSA-N 1 1 290.451 3.137 20 30 CGEDMO C#CC[N@H+](C)C[C@@H]1CCN(C(=O)CCCCC(C)(C)C)C1 ZINC001317839239 933656689 /nfs/dbraw/zinc/65/66/89/933656689.db2.gz GYHGCGFSQSXHEH-INIZCTEOSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2C)C1 ZINC001317847942 933656880 /nfs/dbraw/zinc/65/68/80/933656880.db2.gz JINLLKZRNVLKSB-BRWVUGGUSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CCC(=O)N1CCC(C[N@@H+](C)C/C=C\Cl)CC1 ZINC001317870177 933661426 /nfs/dbraw/zinc/66/14/26/933661426.db2.gz OLMXCGYBULSSEL-WTKPLQERSA-N 1 1 298.858 3.266 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC(C[N@H+](C)CC(C)C)CC1 ZINC001317879700 933661802 /nfs/dbraw/zinc/66/18/02/933661802.db2.gz JYELNRRYBGHRGJ-UHFFFAOYSA-N 1 1 294.483 3.415 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)CC2CCCC2)C1 ZINC001317995479 933674601 /nfs/dbraw/zinc/67/46/01/933674601.db2.gz QBHYJNQUXUAJKS-UHFFFAOYSA-N 1 1 280.456 3.338 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC1C[NH+]([C@@H]2CCc3ccccc32)C1 ZINC001318061412 933681419 /nfs/dbraw/zinc/68/14/19/933681419.db2.gz SWFOAVKWNDRRMJ-MJGOQNOKSA-N 1 1 298.430 3.077 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)[C@@H](C)CC2CCCCC2)C1 ZINC001318066772 933681943 /nfs/dbraw/zinc/68/19/43/933681943.db2.gz FWUKFJMICOLPGY-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCCCC ZINC001318201101 933693879 /nfs/dbraw/zinc/69/38/79/933693879.db2.gz FSBHBKRJTSAVBB-HOTGVXAUSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)C(CC)CC)C1 ZINC001318341869 933711364 /nfs/dbraw/zinc/71/13/64/933711364.db2.gz JZADNNITRVNJCC-GDBMZVCRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CCCC)C1 ZINC001318389663 933713718 /nfs/dbraw/zinc/71/37/18/933713718.db2.gz QPEKTYZYBGNKEL-HUUCEWRRSA-N 1 1 266.429 3.064 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)CC=C)C1 ZINC001318435881 933725097 /nfs/dbraw/zinc/72/50/97/933725097.db2.gz BXJXTDZUUZHEQC-JKSUJKDBSA-N 1 1 292.467 3.476 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)/C=C(/C)CC)C1 ZINC001318470551 933731138 /nfs/dbraw/zinc/73/11/38/933731138.db2.gz MSDVUSMXLWATHH-UGEDRFTOSA-N 1 1 278.440 3.232 20 30 CGEDMO N#CCSCCC[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001319255141 933848164 /nfs/dbraw/zinc/84/81/64/933848164.db2.gz BJHBILBHKRADNN-KBPBESRZSA-N 1 1 252.427 3.145 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)c1cccc(C)c1C ZINC001320078764 933995278 /nfs/dbraw/zinc/99/52/78/933995278.db2.gz LRIPFLAFSXFAAW-UHFFFAOYSA-N 1 1 288.435 3.273 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC001320091957 933997501 /nfs/dbraw/zinc/99/75/01/933997501.db2.gz QDSLYOAJXBASTN-INIZCTEOSA-N 1 1 268.360 3.012 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCCC)CC[C@@H]21 ZINC001320093985 934000061 /nfs/dbraw/zinc/00/00/61/934000061.db2.gz BXZZGWIICWCFDR-CABCVRRESA-N 1 1 298.858 3.242 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2ccn(C(CC)CC)n2)C1 ZINC001320160315 934010905 /nfs/dbraw/zinc/01/09/05/934010905.db2.gz OEJLDEALZHSXRJ-MRXNPFEDSA-N 1 1 277.412 3.021 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccn(C(CC)CC)n2)C1 ZINC001320160315 934010912 /nfs/dbraw/zinc/01/09/12/934010912.db2.gz OEJLDEALZHSXRJ-MRXNPFEDSA-N 1 1 277.412 3.021 20 30 CGEDMO C=CC[C@H]([NH2+][C@H]1CCC[C@@H](C2CC2)C1)C(=O)OCC ZINC001321148097 934156586 /nfs/dbraw/zinc/15/65/86/934156586.db2.gz IRYKXEZBWAUWIA-ILXRZTDVSA-N 1 1 265.397 3.053 20 30 CGEDMO C=CCCCCCOC(=O)c1cnn(-c2cc[nH+]cc2)c1C ZINC001321315623 934174791 /nfs/dbraw/zinc/17/47/91/934174791.db2.gz XWFLQLWWUOLHDJ-UHFFFAOYSA-N 1 1 299.374 3.479 20 30 CGEDMO C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001470075159 937747874 /nfs/dbraw/zinc/74/78/74/937747874.db2.gz UVPCLHMFYXWUKL-IKGGRYGDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)C(C)(C)C1CCC1 ZINC001322210992 934259285 /nfs/dbraw/zinc/25/92/85/934259285.db2.gz RTTWIGDZTFPODJ-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC001322246880 934263056 /nfs/dbraw/zinc/26/30/56/934263056.db2.gz BAENAKJHGZHHOC-ARFHVFGLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)c1cccc2[nH]ccc21 ZINC001322247258 934263302 /nfs/dbraw/zinc/26/33/02/934263302.db2.gz DXOLGPCCWIZFCS-CQSZACIVSA-N 1 1 299.418 3.184 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC2CCC1CC2 ZINC001322305397 934275814 /nfs/dbraw/zinc/27/58/14/934275814.db2.gz DVYZRKBZKDUUNW-RDHHWEPZSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001323731606 934422548 /nfs/dbraw/zinc/42/25/48/934422548.db2.gz YEOWMIUUWPAIGD-CYBMUJFWSA-N 1 1 296.754 3.025 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001323731606 934422552 /nfs/dbraw/zinc/42/25/52/934422552.db2.gz YEOWMIUUWPAIGD-CYBMUJFWSA-N 1 1 296.754 3.025 20 30 CGEDMO C=C(C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC(=C)C ZINC001323774120 934424189 /nfs/dbraw/zinc/42/41/89/934424189.db2.gz MUGVIVQXYYWMDQ-CALCHBBNSA-N 1 1 290.451 3.374 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2ncc(C(C)C)s2)C1 ZINC001323786848 934426080 /nfs/dbraw/zinc/42/60/80/934426080.db2.gz ZNHURRLJAMSHGK-LBPRGKRZSA-N 1 1 266.410 3.043 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ncc(C(C)C)s2)C1 ZINC001323786848 934426082 /nfs/dbraw/zinc/42/60/82/934426082.db2.gz ZNHURRLJAMSHGK-LBPRGKRZSA-N 1 1 266.410 3.043 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@]2(CCN(C(=O)C=C(C)C)C2)C1 ZINC001323835850 934431788 /nfs/dbraw/zinc/43/17/88/934431788.db2.gz NTBBUBHLJCVVLO-WMZOPIPTSA-N 1 1 290.451 3.232 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)n1 ZINC001323935580 934441391 /nfs/dbraw/zinc/44/13/91/934441391.db2.gz IVBCPQASICDSOW-NWDGAFQWSA-N 1 1 261.394 3.027 20 30 CGEDMO N#Cc1csc(C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)n1 ZINC001323935580 934441394 /nfs/dbraw/zinc/44/13/94/934441394.db2.gz IVBCPQASICDSOW-NWDGAFQWSA-N 1 1 261.394 3.027 20 30 CGEDMO CC#CCCCC(=O)N[C@@]1(C)CC[N@@H+](CCCC(C)C)C1 ZINC001324641967 934536758 /nfs/dbraw/zinc/53/67/58/934536758.db2.gz PZMKSCUVOAWQJR-SFHVURJKSA-N 1 1 292.467 3.197 20 30 CGEDMO Cc1cc(F)c(C#N)c(NC[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC001472829950 937785791 /nfs/dbraw/zinc/78/57/91/937785791.db2.gz GUBGSZQUINUHLB-GFCCVEGCSA-N 1 1 275.371 3.291 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)[C@@H](CC(C)C)C(=O)OC ZINC001473137079 937794219 /nfs/dbraw/zinc/79/42/19/937794219.db2.gz OZSKIWSXMKBTQJ-KRWDZBQOSA-N 1 1 289.419 3.305 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)[C@@H](CC(C)C)C(=O)OC ZINC001473137079 937794221 /nfs/dbraw/zinc/79/42/21/937794221.db2.gz OZSKIWSXMKBTQJ-KRWDZBQOSA-N 1 1 289.419 3.305 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]2C2CCC2)cc1 ZINC001473144184 937794475 /nfs/dbraw/zinc/79/44/75/937794475.db2.gz JBUUUXABDMMCJD-SFHVURJKSA-N 1 1 296.414 3.261 20 30 CGEDMO C=CCOCC[N@H+](C)[C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC001473199025 937796918 /nfs/dbraw/zinc/79/69/18/937796918.db2.gz ANOUYSKHPIPSAZ-HZPDHXFCSA-N 1 1 281.440 3.249 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](C)C[C@@H]1C(=O)OC ZINC001473409876 937806269 /nfs/dbraw/zinc/80/62/69/937806269.db2.gz IFADQXMROXPPQZ-UONOGXRCSA-N 1 1 253.386 3.006 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@](C)(CNC(=O)/C=C(/C)CC)C1 ZINC001324937625 934874316 /nfs/dbraw/zinc/87/43/16/934874316.db2.gz YIXJKHFNBJGFIU-OVHOFWQVSA-N 1 1 298.858 3.314 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)/C=C(/C)CC)C1 ZINC001324937625 934874321 /nfs/dbraw/zinc/87/43/21/934874321.db2.gz YIXJKHFNBJGFIU-OVHOFWQVSA-N 1 1 298.858 3.314 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+]([C@@H](C)c2nc(-c3ccccc3)no2)C1 ZINC001325223359 934895269 /nfs/dbraw/zinc/89/52/69/934895269.db2.gz OBUUQAWJMGHERZ-ZFWWWQNUSA-N 1 1 299.374 3.075 20 30 CGEDMO C=CCO[C@H]1CC[N@H+]([C@@H](C)c2nc(-c3ccccc3)no2)C1 ZINC001325223359 934895276 /nfs/dbraw/zinc/89/52/76/934895276.db2.gz OBUUQAWJMGHERZ-ZFWWWQNUSA-N 1 1 299.374 3.075 20 30 CGEDMO C#CC[N@H+](CC1CC1)[C@@H](C)c1nc(-c2ccccc2)no1 ZINC001325222895 934895929 /nfs/dbraw/zinc/89/59/29/934895929.db2.gz TZQOZZNOZHAZKC-ZDUSSCGKSA-N 1 1 281.359 3.143 20 30 CGEDMO C#CC[N@@H+](CC1CC1)[C@@H](C)c1nc(-c2ccccc2)no1 ZINC001325222895 934895931 /nfs/dbraw/zinc/89/59/31/934895931.db2.gz TZQOZZNOZHAZKC-ZDUSSCGKSA-N 1 1 281.359 3.143 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cc(C)nc3ccccc23)C1 ZINC001325229280 934896951 /nfs/dbraw/zinc/89/69/51/934896951.db2.gz WYINCDCGZPRLIM-INIZCTEOSA-N 1 1 282.387 3.320 20 30 CGEDMO CC#CCCSCc1ccc(C[NH+]2CCOCC2)cc1 ZINC001325473775 934914313 /nfs/dbraw/zinc/91/43/13/934914313.db2.gz GMXWISOSKSFMPD-UHFFFAOYSA-N 1 1 289.444 3.165 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=C)C ZINC001325631960 934921052 /nfs/dbraw/zinc/92/10/52/934921052.db2.gz IXKUHLIYNXPCIC-BJWYYQGGSA-N 1 1 290.451 3.278 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](CC2([C@H]3CCCCO3)CCC2)C1 ZINC001473581302 937812474 /nfs/dbraw/zinc/81/24/74/937812474.db2.gz KMUGBLMYMSILLC-IAGOWNOFSA-N 1 1 275.436 3.461 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC(C)=C(C)C ZINC001325897292 934937783 /nfs/dbraw/zinc/93/77/83/934937783.db2.gz KFYOZBPKTFJIKR-IRXDYDNUSA-N 1 1 290.451 3.374 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC(C)=C(C)C ZINC001325897289 934937815 /nfs/dbraw/zinc/93/78/15/934937815.db2.gz KFYOZBPKTFJIKR-IAGOWNOFSA-N 1 1 290.451 3.374 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC(CC)CC ZINC001325917432 934939446 /nfs/dbraw/zinc/93/94/46/934939446.db2.gz BOWKVWDQGLOFJT-SJORKVTESA-N 1 1 292.467 3.454 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1ccc(CCC)cc1 ZINC001473670182 937816475 /nfs/dbraw/zinc/81/64/75/937816475.db2.gz HVIXPMDTONYDFN-UHFFFAOYSA-N 1 1 259.393 3.111 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC001327143516 935034691 /nfs/dbraw/zinc/03/46/91/935034691.db2.gz RGEZHAQNZSXXQG-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@]2(CC[N@H+](CCC)C2)C1 ZINC001327531745 935067804 /nfs/dbraw/zinc/06/78/04/935067804.db2.gz UDWGQAVICHAAMH-QGZVFWFLSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)/C=C\C(C)(C)C)C[C@H]1C ZINC001328240919 935126801 /nfs/dbraw/zinc/12/68/01/935126801.db2.gz JYXHFZQSWKYJAD-WVYYZCOMSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)CNC(=O)c1ccc(C)c2ccccc12 ZINC001329560125 935228131 /nfs/dbraw/zinc/22/81/31/935228131.db2.gz MWIQNZZYAOCQOI-HNNXBMFYSA-N 1 1 296.414 3.384 20 30 CGEDMO C=CCC[N@H+]1C[C@H](NC(=O)CCC2CCCC2)C(C)(C)C1 ZINC001330170449 935273490 /nfs/dbraw/zinc/27/34/90/935273490.db2.gz JMRFOKBJAIDVIK-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+]1C[C@H](NC(=O)C(CC=C)CC=C)C(C)(C)C1 ZINC001330204922 935276528 /nfs/dbraw/zinc/27/65/28/935276528.db2.gz YEHQHGQDCKEBJR-INIZCTEOSA-N 1 1 290.451 3.158 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)[C@H]2CCCC[C@H]2C)CC1 ZINC001331038481 935344665 /nfs/dbraw/zinc/34/46/65/935344665.db2.gz HGFALLHQDJBBIS-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CCCCCC(C)C)[C@H]1C ZINC001332205995 935448927 /nfs/dbraw/zinc/44/89/27/935448927.db2.gz MLAVHMXGARAANP-SJORKVTESA-N 1 1 292.467 3.195 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC001332523400 935475057 /nfs/dbraw/zinc/47/50/57/935475057.db2.gz QAAPOXYANLWTRG-LSDHHAIUSA-N 1 1 299.374 3.479 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C(=O)[C@H]1CC[C@@H](F)C1)C(C)C ZINC001332723645 935485204 /nfs/dbraw/zinc/48/52/04/935485204.db2.gz OTZLHAPZHAMXCA-JKSUJKDBSA-N 1 1 298.446 3.260 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)C[C@@H](C)c1ccco1)C(C)C ZINC001332736075 935486540 /nfs/dbraw/zinc/48/65/40/935486540.db2.gz VLFZLNXGKRWZIH-OAHLLOKOSA-N 1 1 292.423 3.128 20 30 CGEDMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1CCCCC1(C#N)CCC1 ZINC001332982325 935502171 /nfs/dbraw/zinc/50/21/71/935502171.db2.gz UZVXXSZMCYEENL-QDMKHBRRSA-N 1 1 264.413 3.084 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)C[C@@H]2CC[C@H](C)C2)CC1 ZINC001333395295 935532626 /nfs/dbraw/zinc/53/26/26/935532626.db2.gz NYSQBFIWWFBTPM-DOTOQJQBSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)[C@@](C)(CC)CCC)CC1 ZINC001333419308 935534294 /nfs/dbraw/zinc/53/42/94/935534294.db2.gz GKKXOODASMDNES-KRWDZBQOSA-N 1 1 278.440 3.137 20 30 CGEDMO C#CC[N@H+](C[C@H]1[C@H](c2ccccc2)C1(F)F)C1CC1 ZINC001335800405 936161712 /nfs/dbraw/zinc/16/17/12/936161712.db2.gz ONXCCNFZMURCKQ-GJZGRUSLSA-N 1 1 261.315 3.133 20 30 CGEDMO C#CCOCC[N@H+](C)[C@@H](C)c1ccc(C(C)C)cc1 ZINC001337640778 936276372 /nfs/dbraw/zinc/27/63/72/936276372.db2.gz QLFRIPFZCUHPCR-HNNXBMFYSA-N 1 1 259.393 3.453 20 30 CGEDMO C[C@@H](Nc1cccc(CC#N)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001337832108 936292795 /nfs/dbraw/zinc/29/27/95/936292795.db2.gz MPMSHFSIPPFXEK-HUUCEWRRSA-N 1 1 298.434 3.213 20 30 CGEDMO C#CC[N@H+](CC(=O)Nc1ccc(Cl)c(F)c1)C(C)(C)C ZINC001473809504 937822942 /nfs/dbraw/zinc/82/29/42/937822942.db2.gz SXUPBCRWPLEZRI-UHFFFAOYSA-N 1 1 296.773 3.151 20 30 CGEDMO C#CC[N@@H+](CC(=O)Nc1ccc(Cl)c(F)c1)C(C)(C)C ZINC001473809504 937822944 /nfs/dbraw/zinc/82/29/44/937822944.db2.gz SXUPBCRWPLEZRI-UHFFFAOYSA-N 1 1 296.773 3.151 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C2(C(=O)OC)CC2)cc1)C(C)(C)C ZINC001473808797 937822949 /nfs/dbraw/zinc/82/29/49/937822949.db2.gz IQWUHOYUSCLVQC-UHFFFAOYSA-N 1 1 299.414 3.125 20 30 CGEDMO C#CCCCCCC[N@@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC001473866367 937826000 /nfs/dbraw/zinc/82/60/00/937826000.db2.gz SNSWUQPKXHGNNU-KRWDZBQOSA-N 1 1 297.446 3.450 20 30 CGEDMO C#Cc1ccc(C[NH2+]Cc2cccnc2Cl)cc1 ZINC001474152132 937842079 /nfs/dbraw/zinc/84/20/79/937842079.db2.gz DKGDQDYIICIBFO-UHFFFAOYSA-N 1 1 256.736 3.006 20 30 CGEDMO Cc1cc(C[NH2+]Cc2noc3ccc(F)cc23)ccc1C#N ZINC001474240832 937845492 /nfs/dbraw/zinc/84/54/92/937845492.db2.gz OOHHGHASZWRHSH-UHFFFAOYSA-N 1 1 295.317 3.437 20 30 CGEDMO C[C@@H](CC#N)[NH2+]Cc1ccc(CC(F)(F)F)cc1 ZINC001474250605 937845768 /nfs/dbraw/zinc/84/57/68/937845768.db2.gz FEYYTFQWZCWVOA-JTQLQIEISA-N 1 1 256.271 3.183 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)CC1CC(C)(C)C1 ZINC001479234394 937917928 /nfs/dbraw/zinc/91/79/28/937917928.db2.gz FIALMXFFKNNVBW-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)CCCCCC)[C@H]1C ZINC001479715119 937924095 /nfs/dbraw/zinc/92/40/95/937924095.db2.gz QZWLHIZKYGKUAM-ZACQAIPSSA-N 1 1 292.467 3.195 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)/C(C)=C/CC ZINC001479733327 937924674 /nfs/dbraw/zinc/92/46/74/937924674.db2.gz OMBFFGZJYCYOGQ-NRUITVPNSA-N 1 1 298.858 3.408 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@@H]1CCCCN1C(=O)/C(C)=C/CC ZINC001479733327 937924675 /nfs/dbraw/zinc/92/46/75/937924675.db2.gz OMBFFGZJYCYOGQ-NRUITVPNSA-N 1 1 298.858 3.408 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C1CC=CC1 ZINC001479732933 937924822 /nfs/dbraw/zinc/92/48/22/937924822.db2.gz ARJJACMBKCBBNY-KRWDZBQOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCCC[C@H]1C[N@@H+](C)CCCF ZINC001479738261 937924830 /nfs/dbraw/zinc/92/48/30/937924830.db2.gz DMSWQXKWTUQMTK-CVEARBPZSA-N 1 1 298.446 3.261 20 30 CGEDMO C=CCCC[N@@H+](C)CCCNC(=O)c1ccccc1Cl ZINC001479810038 937926307 /nfs/dbraw/zinc/92/63/07/937926307.db2.gz NGDNOGIJXFPDBO-UHFFFAOYSA-N 1 1 294.826 3.358 20 30 CGEDMO C=CCC[N@@H+](CC)CCCNC(=O)c1ccccc1Cl ZINC001479859369 937927289 /nfs/dbraw/zinc/92/72/89/937927289.db2.gz DKTOOAQSSINYDI-UHFFFAOYSA-N 1 1 294.826 3.358 20 30 CGEDMO C=C(Cl)C[N@@H+](CCCNC(=O)/C=C(/C)C1CC1)C1CC1 ZINC001479865354 937927892 /nfs/dbraw/zinc/92/78/92/937927892.db2.gz OQWIEAQXVPVBBQ-BENRWUELSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@H+](CCCNC(=O)/C=C(/C)C1CC1)C1CC1 ZINC001479865354 937927894 /nfs/dbraw/zinc/92/78/94/937927894.db2.gz OQWIEAQXVPVBBQ-BENRWUELSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)CCC2(C)CC2)C1 ZINC001479911892 937929003 /nfs/dbraw/zinc/92/90/03/937929003.db2.gz UDAVQDKMTDCMNL-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)CCCC[C@H](C)CC)C1 ZINC001479904639 937929236 /nfs/dbraw/zinc/92/92/36/937929236.db2.gz SYPURAVQGLWQKQ-SJORKVTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC001479961770 937930193 /nfs/dbraw/zinc/93/01/93/937930193.db2.gz LCRUGTPDPUJXFS-SJLPKXTDSA-N 1 1 298.430 3.221 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)C2(C)CCCCC2)C1 ZINC001480084510 937932176 /nfs/dbraw/zinc/93/21/76/937932176.db2.gz LWMSESPHWPIWTE-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](CC)CCC)C1 ZINC001480083705 937932197 /nfs/dbraw/zinc/93/21/97/937932197.db2.gz CYCOLGHLUZYHIK-DLBZAZTESA-N 1 1 292.467 3.006 20 30 CGEDMO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)CCCCC(C)C ZINC001480328576 937936110 /nfs/dbraw/zinc/93/61/10/937936110.db2.gz WLQZJFZHEVHDSJ-QGZVFWFLSA-N 1 1 292.467 3.197 20 30 CGEDMO C#CCCCC(=O)NC[C@@H]1CCCC[N@@H+]1CC/C=C/CC ZINC001480316136 937936208 /nfs/dbraw/zinc/93/62/08/937936208.db2.gz OITDBNUYLSFOOL-UABRLCRWSA-N 1 1 290.451 3.117 20 30 CGEDMO C=CCCC[N@H+]1CCCC[C@H]1CNC(=O)C1(C2CC2)CC1 ZINC001480319313 937936283 /nfs/dbraw/zinc/93/62/83/937936283.db2.gz IKKFBTRGXAXDCA-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H](C)CCC ZINC001480311048 937936383 /nfs/dbraw/zinc/93/63/83/937936383.db2.gz CMROHKVKBHOMRW-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)CCC ZINC001480395706 937938272 /nfs/dbraw/zinc/93/82/72/937938272.db2.gz ATFRWFLNMSVWOO-DMRKSPOLSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)/C=C(/C)CC)C1 ZINC001480723169 937942619 /nfs/dbraw/zinc/94/26/19/937942619.db2.gz BDOLEHKLWKEYQA-UGEDRFTOSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)C2CCCCCC2)C1 ZINC001480719854 937942635 /nfs/dbraw/zinc/94/26/35/937942635.db2.gz KLHWYGDHDFIRFQ-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1CCC[N@@H+]1CC=C(C)C ZINC001493107108 937947432 /nfs/dbraw/zinc/94/74/32/937947432.db2.gz KRLBHBZAPUKVGQ-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CC[N@@H+](CCC)CCNC(=O)c1cc(Cl)c[nH]1 ZINC001493277887 937949193 /nfs/dbraw/zinc/94/91/93/937949193.db2.gz LDQCGTVSWFJHJZ-UHFFFAOYSA-N 1 1 297.830 3.076 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)/C=C(\C)CC)C(C)C ZINC001493858342 937951824 /nfs/dbraw/zinc/95/18/24/937951824.db2.gz QIEUATDFRKKPCZ-RVDMUPIBSA-N 1 1 266.429 3.136 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CCNC(=O)C[C@H]2CC=CCC2)C1 ZINC001494045910 937952959 /nfs/dbraw/zinc/95/29/59/937952959.db2.gz AEYXJHBXPYFOMR-IRXDYDNUSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)C(C)C)C1 ZINC001494135491 937953287 /nfs/dbraw/zinc/95/32/87/937953287.db2.gz QLXCGFCGAFABOC-HNNXBMFYSA-N 1 1 280.456 3.025 20 30 CGEDMO CCCCC[N@@H+](C)C[C@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC001494133409 937953400 /nfs/dbraw/zinc/95/34/00/937953400.db2.gz RQRSOSSQIDTBTE-MRXNPFEDSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCN(C(=O)C2(C)CCC(C)CC2)C1 ZINC001494177712 937953656 /nfs/dbraw/zinc/95/36/56/937953656.db2.gz AVCAGCOAWOQMDF-UPTPFMHGSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@H+](C)CC1CCN(C(=O)c2ccco2)CC1 ZINC001494188254 937953783 /nfs/dbraw/zinc/95/37/83/937953783.db2.gz NTULEZGTHSGPAJ-UHFFFAOYSA-N 1 1 290.407 3.030 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CCCCCC)C1 ZINC001494281678 937954110 /nfs/dbraw/zinc/95/41/10/937954110.db2.gz QSWRPYRKFPBOMR-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CCCCC(=O)N[C@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001494315849 937954312 /nfs/dbraw/zinc/95/43/12/937954312.db2.gz OJFZDUSUZJSGTF-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(CCCC)CC1 ZINC001494668967 937955709 /nfs/dbraw/zinc/95/57/09/937955709.db2.gz VNHAPBCJSRZCBN-HOTGVXAUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)CCCC(C)C)C1 ZINC001494912202 937957159 /nfs/dbraw/zinc/95/71/59/937957159.db2.gz DXHKRJZZNAXZLV-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)C1CCCCCCC1 ZINC001498338379 937968816 /nfs/dbraw/zinc/96/88/16/937968816.db2.gz PONMMAXGOMLSBC-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC001499071835 937972572 /nfs/dbraw/zinc/97/25/72/937972572.db2.gz KVYNMJNTDQPGEF-HOTGVXAUSA-N 1 1 292.467 3.338 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]1CNC(=O)C1(CC=C)CCCC1 ZINC001499138640 937972695 /nfs/dbraw/zinc/97/26/95/937972695.db2.gz RLNLAEFGWPLXDP-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+](CCNC(=O)C1CC=CC1)C1CCCCCC1 ZINC001499517845 937973691 /nfs/dbraw/zinc/97/36/91/937973691.db2.gz NJAIBTINGRPDAA-UHFFFAOYSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC(=O)N1CC[C@]2(CC[N@H+](CCCCCF)C2)C1 ZINC001499598434 937973956 /nfs/dbraw/zinc/97/39/56/937973956.db2.gz XRZMKZMURXKRCY-KRWDZBQOSA-N 1 1 296.430 3.017 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)CCC(=C)C)C2)C1 ZINC001499569623 937974003 /nfs/dbraw/zinc/97/40/03/937974003.db2.gz FKTKFXWRCDCRBP-SFHVURJKSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCCC[NH+]1CC(N(C)C(=O)c2csc(Cl)c2)C1 ZINC001499753505 937974471 /nfs/dbraw/zinc/97/44/71/937974471.db2.gz JDQUGPRXJYIHAE-UHFFFAOYSA-N 1 1 298.839 3.124 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N(C)C1C[NH+](CC/C=C\CCC)C1 ZINC001499711430 937974645 /nfs/dbraw/zinc/97/46/45/937974645.db2.gz DFXHBOAFKLQYPB-KTKRTIGZSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCCN(C(C)=O)C2 ZINC001500154493 937976011 /nfs/dbraw/zinc/97/60/11/937976011.db2.gz KDJSGZZPCKWUCQ-NVXWUHKLSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C/C(C)=C\CC(=O)N[C@H]1CCC[N@H+](CCC(=C)C)CC1 ZINC001502131953 937981221 /nfs/dbraw/zinc/98/12/21/937981221.db2.gz KETPWWJNSJOCPU-KZRVJCNKSA-N 1 1 290.451 3.446 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)C=C(C)C)CC1 ZINC001502107797 937981242 /nfs/dbraw/zinc/98/12/42/937981242.db2.gz RTEIVRWHZHCZSR-CVEARBPZSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CC[N@H+](C)CCCN(C)C(=O)c1c(C)cc(C)cc1C ZINC001502394931 937982353 /nfs/dbraw/zinc/98/23/53/937982353.db2.gz GAQBZTJPYFYKBO-UHFFFAOYSA-N 1 1 288.435 3.192 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C(=C)C)C[C@@H]1C ZINC001502967932 937983887 /nfs/dbraw/zinc/98/38/87/937983887.db2.gz KPZPKTKWUDPFMV-UONOGXRCSA-N 1 1 298.858 3.310 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C(=C)C)C[C@@H]1C ZINC001502967932 937983888 /nfs/dbraw/zinc/98/38/88/937983888.db2.gz KPZPKTKWUDPFMV-UONOGXRCSA-N 1 1 298.858 3.310 20 30 CGEDMO C=CC[N@H+](CC)CC1CCN(C(=O)CC(C)=C(C)C)CC1 ZINC001505398284 937984928 /nfs/dbraw/zinc/98/49/28/937984928.db2.gz CTNNACIUAVKSKD-UHFFFAOYSA-N 1 1 292.467 3.479 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](C)CCC ZINC001505424811 937985122 /nfs/dbraw/zinc/98/51/22/937985122.db2.gz VIZKMFBKSCPMHH-TZMCWYRMSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](C)CCC ZINC001505424811 937985123 /nfs/dbraw/zinc/98/51/23/937985123.db2.gz VIZKMFBKSCPMHH-TZMCWYRMSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)C1(C)CCCCCC1 ZINC001505937877 937988146 /nfs/dbraw/zinc/98/81/46/937988146.db2.gz NPCPIMQTFVGRNS-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)c1ccccc1CC ZINC001505990558 937988223 /nfs/dbraw/zinc/98/82/23/937988223.db2.gz GNBJNMOKVYHTMZ-OAHLLOKOSA-N 1 1 288.435 3.265 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)C[C@H](C)CC(C)(C)C ZINC001506007280 937988586 /nfs/dbraw/zinc/98/85/86/937988586.db2.gz AJBYDDOEGABTQH-LSDHHAIUSA-N 1 1 282.472 3.461 20 30 CGEDMO C=C[C@H](C(=O)NC[C@@H](C)[N@H+](C)CC(C)C)c1ccccc1 ZINC001506062755 937989209 /nfs/dbraw/zinc/98/92/09/937989209.db2.gz DQHVZUAXGYRNLW-WBVHZDCISA-N 1 1 288.435 3.049 20 30 CGEDMO C=C[C@@H](C(=O)NC[C@H](C)[N@H+](C)CC(C)C)c1ccccc1 ZINC001506062752 937989241 /nfs/dbraw/zinc/98/92/41/937989241.db2.gz DQHVZUAXGYRNLW-DOTOQJQBSA-N 1 1 288.435 3.049 20 30 CGEDMO C=CCCC[N@H+]1CCCCC[C@H]1CNC(=O)C1CC=CC1 ZINC001506559197 937990632 /nfs/dbraw/zinc/99/06/32/937990632.db2.gz DXXMXTJKWGBAGI-KRWDZBQOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)CC(C)(C)C=C)C(C)(C)C1 ZINC001506740597 937991782 /nfs/dbraw/zinc/99/17/82/937991782.db2.gz WAPWCIOYCZDEJY-OAHLLOKOSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H](C)CC)CCC[C@@H]12 ZINC001507333117 937995131 /nfs/dbraw/zinc/99/51/31/937995131.db2.gz BOHIJDIHEVBIEJ-ZMSDIMECSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H](CC)CCC)CCC[C@H]12 ZINC001507353144 937995232 /nfs/dbraw/zinc/99/52/32/937995232.db2.gz SZGAVNKYAQZFGD-YQQAZPJKSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CCCCCF)[C@H]1C ZINC001507386639 937995924 /nfs/dbraw/zinc/99/59/24/937995924.db2.gz VJAINDSICLWNHX-LSDHHAIUSA-N 1 1 298.446 3.308 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C(=O)c1ccoc1C)C(C)C ZINC001507756377 937996610 /nfs/dbraw/zinc/99/66/10/937996610.db2.gz BGHBHPZMMMIXOO-UHFFFAOYSA-N 1 1 292.423 3.337 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)c1ccc(C)cc1C)C(C)C ZINC001507863794 937997139 /nfs/dbraw/zinc/99/71/39/937997139.db2.gz MHAYLXVFXFYBPF-UHFFFAOYSA-N 1 1 288.435 3.272 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C(=O)C1CC2(CC2)C1)C(C)C ZINC001507834553 937997234 /nfs/dbraw/zinc/99/72/34/937997234.db2.gz VKVAHMGWCXIOAK-UHFFFAOYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)CCCC)CC1 ZINC001508194660 937998380 /nfs/dbraw/zinc/99/83/80/937998380.db2.gz PBXCCQZVEDXQSD-HNNXBMFYSA-N 1 1 278.440 3.280 20 30 CGEDMO C=C(CC)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC001518788005 938016573 /nfs/dbraw/zinc/01/65/73/938016573.db2.gz KUTUEDOUVHVTBD-AWEZNQCLSA-N 1 1 280.799 3.025 20 30 CGEDMO C#CCC(C)(C)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC001527268258 938060958 /nfs/dbraw/zinc/06/09/58/938060958.db2.gz JOUVJWAVSYJMHJ-UHFFFAOYSA-N 1 1 298.430 3.311 20 30 CGEDMO C=C(CC)C(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC001528408596 938067201 /nfs/dbraw/zinc/06/72/01/938067201.db2.gz DXXGHEADYBELEA-INIZCTEOSA-N 1 1 298.386 3.193 20 30 CGEDMO C=CCC1(C(=O)N2C[C@H](C)[N@@H+](CC)C[C@H]2C)CCCCC1 ZINC001537409359 938110212 /nfs/dbraw/zinc/11/02/12/938110212.db2.gz ZYNRBNFEROYZGP-JKSUJKDBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(CC(C)C)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC001540486527 938131765 /nfs/dbraw/zinc/13/17/65/938131765.db2.gz QSGZKTRSMHUKCV-UHFFFAOYSA-N 1 1 280.456 3.360 20 30 CGEDMO Cc1ccc(N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nc1C#N ZINC001548515399 938151564 /nfs/dbraw/zinc/15/15/64/938151564.db2.gz XJWRORNSIIXNLP-GJZGRUSLSA-N 1 1 298.434 3.327 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)/C=C(\C)c1ccccc1 ZINC001556466092 938203882 /nfs/dbraw/zinc/20/38/82/938203882.db2.gz IUPGAUOZZYCNIW-FOCLMDBBSA-N 1 1 286.419 3.056 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)[C@](C)(CC)CCC ZINC001556466565 938203933 /nfs/dbraw/zinc/20/39/33/938203933.db2.gz DQZFTDPZKITNQA-MRXNPFEDSA-N 1 1 268.445 3.169 20 30 CGEDMO C=CCCC1(CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)CCCC1 ZINC001557476300 938210248 /nfs/dbraw/zinc/21/02/48/938210248.db2.gz WVXQUCBEMYIPAT-INIZCTEOSA-N 1 1 290.451 3.256 20 30 CGEDMO CCCC[N@@H+](CC#CCOC)[C@@H](C)c1ccccc1 ZINC001559557098 938229639 /nfs/dbraw/zinc/22/96/39/938229639.db2.gz QMCXVYYIUKNHPL-INIZCTEOSA-N 1 1 259.393 3.500 20 30 CGEDMO C#CCCCCCC[N@@H+]1C[C@@H](CC)N(C(C)=O)C[C@H]1CC ZINC001559580623 938230191 /nfs/dbraw/zinc/23/01/91/938230191.db2.gz MKZBZHNFCKVNPI-QZTJIDSGSA-N 1 1 292.467 3.291 20 30 CGEDMO C=CCCCC[N@@H+]1CCc2ccccc2[C@H]1C(=O)OC ZINC001559632039 938231498 /nfs/dbraw/zinc/23/14/98/938231498.db2.gz YWNOVZRPIKQPRN-INIZCTEOSA-N 1 1 273.376 3.115 20 30 CGEDMO C=CCCCC[N@H+]1CCc2ccccc2[C@H]1C(=O)OC ZINC001559632039 938231499 /nfs/dbraw/zinc/23/14/99/938231499.db2.gz YWNOVZRPIKQPRN-INIZCTEOSA-N 1 1 273.376 3.115 20 30 CGEDMO CC[C@H]1Cc2ccccc2C[N@H+]1Cc1cc(C#N)ccn1 ZINC001559728458 938233697 /nfs/dbraw/zinc/23/36/97/938233697.db2.gz QVJVESBGROJTGE-SFHVURJKSA-N 1 1 277.371 3.290 20 30 CGEDMO C=CC[N@H+](CC(C)C)[C@H](Cc1ccccc1)C(=O)OCC ZINC001559751765 938234424 /nfs/dbraw/zinc/23/44/24/938234424.db2.gz LZKQJNKEENJYIX-QGZVFWFLSA-N 1 1 289.419 3.305 20 30 CGEDMO C=CC[N@@H+](CC(C)C)[C@H](Cc1ccccc1)C(=O)OCC ZINC001559751765 938234425 /nfs/dbraw/zinc/23/44/25/938234425.db2.gz LZKQJNKEENJYIX-QGZVFWFLSA-N 1 1 289.419 3.305 20 30 CGEDMO CCCCCCCCCC[N@H+]1CCN(C)C(=O)[C@@H]1C ZINC001559771117 938235357 /nfs/dbraw/zinc/23/53/57/938235357.db2.gz KRCMEYHWPFHBLN-HNNXBMFYSA-N 1 1 268.445 3.290 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@@]1(CO)CC(C)C ZINC001559805583 938236123 /nfs/dbraw/zinc/23/61/23/938236123.db2.gz SVBPQBRBGKCTOA-KRWDZBQOSA-N 1 1 265.441 3.443 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)CCOc1cc(Cl)cc(Cl)c1 ZINC001559797328 938236167 /nfs/dbraw/zinc/23/61/67/938236167.db2.gz NCIGWLAYMWLZIQ-JTQLQIEISA-N 1 1 272.175 3.326 20 30 CGEDMO CC#CC[N@@H+](C)CCSc1ccc(Cl)cc1 ZINC001559874786 938237768 /nfs/dbraw/zinc/23/77/68/938237768.db2.gz ZQVAVOVDWZBRCE-UHFFFAOYSA-N 1 1 253.798 3.387 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)C1(CO)CCCC1 ZINC001559864801 938237776 /nfs/dbraw/zinc/23/77/76/938237776.db2.gz UTXIDHXCUZGAEH-UHFFFAOYSA-N 1 1 259.393 3.370 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@@H]2CCCN(c3ccccc3)C2=O)C1 ZINC001559983196 938241035 /nfs/dbraw/zinc/24/10/35/938241035.db2.gz KDJUZOYUYRRTKF-FUHWJXTLSA-N 1 1 298.430 3.470 20 30 CGEDMO CCCCCCCCC[N@H+]1CCC[C@H]2CCNC(=O)[C@H]21 ZINC001560097065 938244111 /nfs/dbraw/zinc/24/41/11/938244111.db2.gz OXCMSNVBBPLFGY-HOTGVXAUSA-N 1 1 280.456 3.338 20 30 CGEDMO COC(=O)C(C)(C)C[N@@H+](CCC(C)(C)C#N)CC(C)C ZINC001560104130 938244295 /nfs/dbraw/zinc/24/42/95/938244295.db2.gz KWYASNXLVHWERW-UHFFFAOYSA-N 1 1 282.428 3.083 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CCC(C)(C)[C@H](c2ccccc2)C1 ZINC001560180848 938246439 /nfs/dbraw/zinc/24/64/39/938246439.db2.gz HGNMPURQNLKERY-DLBZAZTESA-N 1 1 273.420 3.439 20 30 CGEDMO C=CCC[C@H]1CCC[N@H+]1CC(=O)Nc1cccnc1Cl ZINC001560199812 938246760 /nfs/dbraw/zinc/24/67/60/938246760.db2.gz DOAGMLKXVZQLHB-LBPRGKRZSA-N 1 1 293.798 3.104 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1CC(=O)Nc1cccnc1Cl ZINC001560199812 938246761 /nfs/dbraw/zinc/24/67/61/938246761.db2.gz DOAGMLKXVZQLHB-LBPRGKRZSA-N 1 1 293.798 3.104 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1ccc(C#N)cc1OC ZINC001560204642 938246966 /nfs/dbraw/zinc/24/69/66/938246966.db2.gz SYXKLSSMBGHUKG-UHFFFAOYSA-N 1 1 258.365 3.355 20 30 CGEDMO C=CC[N@@H+](C)Cc1cc(OC)c(Br)cc1F ZINC001560772680 938275231 /nfs/dbraw/zinc/27/52/31/938275231.db2.gz DOWZNUJHZRODHM-UHFFFAOYSA-N 1 1 288.160 3.215 20 30 CGEDMO C=CC[N@H+](C)Cc1cc(OC)c(Br)cc1F ZINC001560772680 938275232 /nfs/dbraw/zinc/27/52/32/938275232.db2.gz DOWZNUJHZRODHM-UHFFFAOYSA-N 1 1 288.160 3.215 20 30 CGEDMO C#CCC[N@H+](CCOC)CC1CCC(C(C)C)CC1 ZINC001560946815 938285767 /nfs/dbraw/zinc/28/57/67/938285767.db2.gz ZUCWQTNOIIEKTB-UHFFFAOYSA-N 1 1 265.441 3.421 20 30 CGEDMO C=CCC[C@@H](CCC)[NH2+][C@@H](CC(=C)C)C(=O)OC ZINC001560967206 938286833 /nfs/dbraw/zinc/28/68/33/938286833.db2.gz AFBMETYKLJHRCA-KGLIPLIRSA-N 1 1 253.386 3.219 20 30 CGEDMO C#CC[N@@H+](Cc1cccc(C2CC2)c1)C1CSC1 ZINC001560975644 938287282 /nfs/dbraw/zinc/28/72/82/938287282.db2.gz HCNAYFKEEZPDCY-UHFFFAOYSA-N 1 1 257.402 3.115 20 30 CGEDMO C#CC[N@@H+](C)Cc1sccc1NC(=O)OC(C)(C)C ZINC001561032464 938290566 /nfs/dbraw/zinc/29/05/66/938290566.db2.gz FBGIVBARNCPPBB-UHFFFAOYSA-N 1 1 280.393 3.160 20 30 CGEDMO C#CC[N@H+](C)Cc1sccc1NC(=O)OC(C)(C)C ZINC001561032464 938290567 /nfs/dbraw/zinc/29/05/67/938290567.db2.gz FBGIVBARNCPPBB-UHFFFAOYSA-N 1 1 280.393 3.160 20 30 CGEDMO C=CCCn1cc(C[N@H+]2CCC[C@H](C3CCCC3)C2)nn1 ZINC001561048997 938291450 /nfs/dbraw/zinc/29/14/50/938291450.db2.gz JZWTUTAVFNHSSQ-INIZCTEOSA-N 1 1 288.439 3.256 20 30 CGEDMO C=CCCCC(=O)N1CCC([C@H]2CCC[N@@H+]2CCC)CC1 ZINC001230592066 957846814 /nfs/dbraw/zinc/84/68/14/957846814.db2.gz QUUDUQHIRHHDFP-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)CC2=CCCCC2)C1 ZINC001494807689 957853289 /nfs/dbraw/zinc/85/32/89/957853289.db2.gz OYWIWAMNUFYSQY-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N(C)[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC001494849260 957875362 /nfs/dbraw/zinc/87/53/62/957875362.db2.gz XOIAYARDTZGZJA-WBVHZDCISA-N 1 1 280.456 3.168 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[C@H](C[N@@H+](C)CCC(C)C)C1 ZINC001317847927 957900959 /nfs/dbraw/zinc/90/09/59/957900959.db2.gz JDCSIGCZNFZUHJ-IAGOWNOFSA-N 1 1 294.483 3.415 20 30 CGEDMO N#C[C@@H]1CC[C@H]([NH2+]CC(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC001254642977 958814377 /nfs/dbraw/zinc/81/43/77/958814377.db2.gz HZCIRWCDUIFNAO-KOLCDFICSA-N 1 1 297.185 3.458 20 30 CGEDMO CC(C)C[N@@H+](C)CCCNc1cccc(F)c1C#N ZINC001163656946 958838385 /nfs/dbraw/zinc/83/83/85/958838385.db2.gz NSCOISCWGIMBQE-UHFFFAOYSA-N 1 1 263.360 3.087 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N(C)C[C@@H]1CC[N@H+]1CCCCCF ZINC001565822328 960830949 /nfs/dbraw/zinc/83/09/49/960830949.db2.gz CZSQIYXXCHNNSO-HNNXBMFYSA-N 1 1 298.446 3.261 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC(C)C)[C@@H]1CC ZINC001566022444 960867007 /nfs/dbraw/zinc/86/70/07/960867007.db2.gz PHAVTXADLHJXOV-LSDHHAIUSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C(C)(C)C)CC(C)(C)C1 ZINC001566129977 960896377 /nfs/dbraw/zinc/89/63/77/960896377.db2.gz MKPARMLWNHAUGE-GJZGRUSLSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)/C=C(\C)CC ZINC001566120075 960898750 /nfs/dbraw/zinc/89/87/50/960898750.db2.gz WJLZLAAKWUSIQN-VOMSXAGXSA-N 1 1 298.858 3.408 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@@H]1CCCCN1C(=O)/C=C(\C)CC ZINC001566120075 960898760 /nfs/dbraw/zinc/89/87/60/960898760.db2.gz WJLZLAAKWUSIQN-VOMSXAGXSA-N 1 1 298.858 3.408 20 30 CGEDMO C=CCC[N@@H+](CC)CCCNC(=O)c1cccc2[nH]ccc21 ZINC001566565983 960948426 /nfs/dbraw/zinc/94/84/26/960948426.db2.gz LIONYVHSSHOELJ-UHFFFAOYSA-N 1 1 299.418 3.186 20 30 CGEDMO C=CCC[N@@H+](CC)CCCNC(=O)c1c[nH]c2ccccc21 ZINC001566556497 960950213 /nfs/dbraw/zinc/95/02/13/960950213.db2.gz KHELIJHEVOSBFL-UHFFFAOYSA-N 1 1 299.418 3.186 20 30 CGEDMO C#CCC[N@@H+](CC)CCCNC(=O)[C@@H](C)[C@@H](C)C(C)(C)C ZINC001566568165 960958879 /nfs/dbraw/zinc/95/88/79/960958879.db2.gz CHPGUXAZBJRPOC-JKSUJKDBSA-N 1 1 294.483 3.156 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC2(C)C)C1 ZINC001566659988 960977487 /nfs/dbraw/zinc/97/74/87/960977487.db2.gz HRINKNWVRNFDCR-GJZGRUSLSA-N 1 1 280.456 3.193 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)C(C)(C)C)C1 ZINC001566625808 960978987 /nfs/dbraw/zinc/97/89/87/960978987.db2.gz PSMPCWVITWOODB-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)C2(F)CCCC2)C1 ZINC001566739329 960993103 /nfs/dbraw/zinc/99/31/03/960993103.db2.gz WZVIKIPDCHKYJQ-OAHLLOKOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H](C[N@H+](C)CC/C=C\CC)C1 ZINC001566734775 960998152 /nfs/dbraw/zinc/99/81/52/960998152.db2.gz AEZVZGSYPAEYDZ-BQLWYNFJSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@@H](C)C2CC2)C1 ZINC001566746332 961001474 /nfs/dbraw/zinc/00/14/74/961001474.db2.gz GDJBNLZRMHMJTC-CVEARBPZSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C ZINC001566756363 961001519 /nfs/dbraw/zinc/00/15/19/961001519.db2.gz MXBKSFLKFLWKBE-KFWWJZLASA-N 1 1 278.440 3.062 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)/C=C(\C)C1CC1 ZINC001566914558 961051830 /nfs/dbraw/zinc/05/18/30/961051830.db2.gz BARAWSRONAIDOT-LCJXNMAOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@@H]1CCCC[N@H+]1CC1CCC1 ZINC001566925624 961064817 /nfs/dbraw/zinc/06/48/17/961064817.db2.gz LVIZOSVYFDSORA-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@H]1[C@H]1CCC[N@@H+]1CC(=C)C ZINC001566955350 961071659 /nfs/dbraw/zinc/07/16/59/961071659.db2.gz LJWNKTXZGHLXRU-SJORKVTESA-N 1 1 290.451 3.374 20 30 CGEDMO C=CC1(CC(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)CCCCC1 ZINC001566988923 961082561 /nfs/dbraw/zinc/08/25/61/961082561.db2.gz GWGWRDOZPPJTOT-CABCVRRESA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)CC)C1 ZINC001567198948 961138548 /nfs/dbraw/zinc/13/85/48/961138548.db2.gz RFLKTTQZWOSZCA-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC(=O)NCC[N@@H+](C)[C@@H](C)c1ccccc1Cl ZINC001567273361 961257701 /nfs/dbraw/zinc/25/77/01/961257701.db2.gz BCTQXUBFDIOJOO-ZDUSSCGKSA-N 1 1 294.826 3.415 20 30 CGEDMO C=CCCC(=O)NCC[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC001567273361 961257716 /nfs/dbraw/zinc/25/77/16/961257716.db2.gz BCTQXUBFDIOJOO-ZDUSSCGKSA-N 1 1 294.826 3.415 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCNC(=O)[C@]1(C)CC=C(C)CC1 ZINC001567320559 961276370 /nfs/dbraw/zinc/27/63/70/961276370.db2.gz WKMZWAVQJQPUEH-QGZVFWFLSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)CC(C)(C)C1CC1 ZINC001567363684 961301265 /nfs/dbraw/zinc/30/12/65/961301265.db2.gz XNGYFMCUOTUGSW-CQSZACIVSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)CC(C)(C)C1CC1 ZINC001567363684 961301281 /nfs/dbraw/zinc/30/12/81/961301281.db2.gz XNGYFMCUOTUGSW-CQSZACIVSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCC[N@H+]1C/C=C\c1ccccc1 ZINC001567367118 961301916 /nfs/dbraw/zinc/30/19/16/961301916.db2.gz VLKKQTMAKKDZDY-RLGIIYIFSA-N 1 1 298.430 3.247 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CC[N@H+](C[C@@H](C)CC)C2)CCC1 ZINC001567411496 961320285 /nfs/dbraw/zinc/32/02/85/961320285.db2.gz JQHLKCXVRMUPGT-JKSUJKDBSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC[N@@H+](CC=C(C)C)CCC ZINC001567427781 961336619 /nfs/dbraw/zinc/33/66/19/961336619.db2.gz DJDUEODCFAQLJF-UHFFFAOYSA-N 1 1 280.456 3.383 20 30 CGEDMO C#CCC[N@@H+](CCC)CCNC(=O)C[C@@H]1CCCC[C@H]1C ZINC001567435490 961339257 /nfs/dbraw/zinc/33/92/57/961339257.db2.gz QFWNZTUBRWUZNK-SJORKVTESA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCC[N@@H+](CCC)CCNC(=O)[C@@H]1CCCC1(C)C ZINC001567429621 961342624 /nfs/dbraw/zinc/34/26/24/961342624.db2.gz WLBSZASWVZGDAE-HNNXBMFYSA-N 1 1 280.456 3.217 20 30 CGEDMO C#CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCCCC ZINC001567669109 961396408 /nfs/dbraw/zinc/39/64/08/961396408.db2.gz AXVWMIZFAOJGLP-CALCHBBNSA-N 1 1 290.451 3.045 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](N(CCC)C(=O)C2CC2)C1 ZINC001567678267 961398569 /nfs/dbraw/zinc/39/85/69/961398569.db2.gz OKDFYLWTKNCSBD-ZBFHGGJFSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)CCC(C)C)C1 ZINC001567691315 961407252 /nfs/dbraw/zinc/40/72/52/961407252.db2.gz OFQYLBYDTWCAFO-MRXNPFEDSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](CCNC(=O)c2ccsc2Cl)C1 ZINC001567711000 961408370 /nfs/dbraw/zinc/40/83/70/961408370.db2.gz CKDSSJIJHSLIQZ-NSHDSACASA-N 1 1 298.839 3.029 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)CC2(C)CC2)C1 ZINC001567733139 961417891 /nfs/dbraw/zinc/41/78/91/961417891.db2.gz MEIIVOVNHVQTEU-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001567735674 961419184 /nfs/dbraw/zinc/41/91/84/961419184.db2.gz FFUOPGDGVREHEM-HOTGVXAUSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C1CCC(C(=O)N2CCC(C[N@H+](C)CCC)CC2)CC1 ZINC001567750100 961427778 /nfs/dbraw/zinc/42/77/78/961427778.db2.gz BAANOOLMCQVLPL-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@H+]([C@@H](CC)c2ccccc2)C1 ZINC001567870087 961440185 /nfs/dbraw/zinc/44/01/85/961440185.db2.gz DINQVEYHWVPAOS-IRXDYDNUSA-N 1 1 286.419 3.294 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2CC)C1 ZINC001567922448 961462499 /nfs/dbraw/zinc/46/24/99/961462499.db2.gz RVCYYQSIVCYRQB-BRWVUGGUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001567922716 961464291 /nfs/dbraw/zinc/46/42/91/961464291.db2.gz XZHAGEQVMSOODZ-CABCVRRESA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)c1ccc(F)cc1 ZINC001568473019 961581293 /nfs/dbraw/zinc/58/12/93/961581293.db2.gz KFYVZPJIQFISET-CQSZACIVSA-N 1 1 292.398 3.184 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)c1sc(C)cc1C ZINC001568484644 961589119 /nfs/dbraw/zinc/58/91/19/961589119.db2.gz VRAAZDAQMZQKTL-UHFFFAOYSA-N 1 1 294.464 3.335 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@H]1CCCC12CC2 ZINC001568486790 961596240 /nfs/dbraw/zinc/59/62/40/961596240.db2.gz HFYIWTSJGPNDBC-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)[C@H]1CC[C@H](CC)CC1 ZINC001568502645 961597714 /nfs/dbraw/zinc/59/77/14/961597714.db2.gz MSXIWSRQYIBHJL-WKILWMFISA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)CC3(C)CC3)CC[C@H]21 ZINC001568514560 961608077 /nfs/dbraw/zinc/60/80/77/961608077.db2.gz ZBLPCUAFKLKCQB-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)c1c(F)cccc1Cl ZINC001568551540 961614382 /nfs/dbraw/zinc/61/43/82/961614382.db2.gz IRUBKEKFWMQYRO-UHFFFAOYSA-N 1 1 298.789 3.059 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)c1cc2cc(C)ccc2[nH]1 ZINC001569131430 961695540 /nfs/dbraw/zinc/69/55/40/961695540.db2.gz PXUZNTJTUGXOMF-AWEZNQCLSA-N 1 1 299.418 3.103 20 30 CGEDMO C#CC[N@H+](C)C[C@@H](C)NC(=O)[C@H](CCC)CC1CCCC1 ZINC001569141491 961697662 /nfs/dbraw/zinc/69/76/62/961697662.db2.gz RKABADPKGZCCLF-NVXWUHKLSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)C(CC)CC ZINC001569124955 961703087 /nfs/dbraw/zinc/70/30/87/961703087.db2.gz PFICDIUMJDRUGX-ZIAGYGMSSA-N 1 1 268.445 3.071 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001569141579 961702227 /nfs/dbraw/zinc/70/22/27/961702227.db2.gz SYZZNWWIYLOLQF-MPGHIAIKSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001569129974 961703545 /nfs/dbraw/zinc/70/35/45/961703545.db2.gz KCILUTOGXSEUSS-VQHPVUNQSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC001569122273 961703582 /nfs/dbraw/zinc/70/35/82/961703582.db2.gz ZEFHWBGRONNCAX-DJIMGWMZSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[C@H](C)CC1 ZINC001569146656 961711180 /nfs/dbraw/zinc/71/11/80/961711180.db2.gz JJGTYTQECMBAKG-JYJNAYRXSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C=C(CC)CC ZINC001569444792 961768801 /nfs/dbraw/zinc/76/88/01/961768801.db2.gz LETRRXCJBVVIHX-SJORKVTESA-N 1 1 290.451 3.374 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@](C)(CC)CCC)C2)C1 ZINC001569477978 961773740 /nfs/dbraw/zinc/77/37/40/961773740.db2.gz DOURKHGRCMMWPR-QZTJIDSGSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)C(CC)CC)C1 ZINC001569642767 961809356 /nfs/dbraw/zinc/80/93/56/961809356.db2.gz KVHAPDZTMBOETL-PBHICJAKSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)C[C@H]2C=CCCC2)C1 ZINC001569641781 961813368 /nfs/dbraw/zinc/81/33/68/961813368.db2.gz SQZQLKZUAARFIE-WMZOPIPTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)C(CC)CC)C1 ZINC001569710629 961832089 /nfs/dbraw/zinc/83/20/89/961832089.db2.gz WMYAXXISODLQHP-QGZVFWFLSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)CCCCC)C1 ZINC001569709483 961835475 /nfs/dbraw/zinc/83/54/75/961835475.db2.gz FQNJGDXLEOVBIK-QGZVFWFLSA-N 1 1 280.456 3.361 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)CC(CC)CC)C1 ZINC001569723380 961838288 /nfs/dbraw/zinc/83/82/88/961838288.db2.gz FXVGNASASQTJSA-GOSISDBHSA-N 1 1 292.467 3.054 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC(=C)C)C2 ZINC001569796147 961842026 /nfs/dbraw/zinc/84/20/26/961842026.db2.gz UYMBRMPHZFDGTF-ULQDDVLXSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C)[C@H](C)CC)C2 ZINC001569860965 961855816 /nfs/dbraw/zinc/85/58/16/961855816.db2.gz IZDFACHTTHLGLR-BPKGMFCQSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)CCC ZINC001569912112 961868792 /nfs/dbraw/zinc/86/87/92/961868792.db2.gz FBUGQQSIDCPKEG-JKSUJKDBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CCC[N@H+](CC[C@@H](C)F)CC1 ZINC001570177385 961914114 /nfs/dbraw/zinc/91/41/14/961914114.db2.gz LAYFDZYAQFEJHQ-CABCVRRESA-N 1 1 298.446 3.308 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)CCC)CC1 ZINC001570181445 961922145 /nfs/dbraw/zinc/92/21/45/961922145.db2.gz JPUZLWFRGFMTJX-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCN(C)C(=O)c1cccs1 ZINC001570189478 961924076 /nfs/dbraw/zinc/92/40/76/961924076.db2.gz YRABJZNXMVDXSM-AWEZNQCLSA-N 1 1 294.464 3.497 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C)CC(C)C)CC1 ZINC001570185054 961927992 /nfs/dbraw/zinc/92/79/92/961927992.db2.gz DFNCBXCDOZOSAN-HOTGVXAUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C(C)C)C(C)(C)C1 ZINC001570393583 961958434 /nfs/dbraw/zinc/95/84/34/961958434.db2.gz LXFWJJLQEOONON-OAHLLOKOSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCCC(=O)NC[C@@H](C)[N@@H+](C)CC1CC2(CCC2)C1 ZINC001570732592 962056026 /nfs/dbraw/zinc/05/60/26/962056026.db2.gz WSMFLRRVNUFKSE-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)CNC(=O)[C@@H](CCC)c1ccccc1 ZINC001570750414 962067714 /nfs/dbraw/zinc/06/77/14/962067714.db2.gz RPICNXOTFGHVRA-WBVHZDCISA-N 1 1 288.435 3.193 20 30 CGEDMO C=C(C)CC[N@H+](C)C1CCN(C(=O)[C@H](C)C(C)C)CC1 ZINC001571334074 962135132 /nfs/dbraw/zinc/13/51/32/962135132.db2.gz LBCIYMURNYKPTC-OAHLLOKOSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC[N@H+]1CC[C@]2(NC(=O)[C@H](C)CC)CCC[C@@H]12 ZINC001571495242 962168049 /nfs/dbraw/zinc/16/80/49/962168049.db2.gz NVHVDUGXCFRHSG-BFYDXBDKSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)[C@@H]1C[C@H]1C(C)C)C(C)C ZINC001571615400 962183975 /nfs/dbraw/zinc/18/39/75/962183975.db2.gz QLEWMPDYQYNOJR-JKSUJKDBSA-N 1 1 280.456 3.023 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CNC(=O)CCC(=C)C)CC1 ZINC001571688418 962211898 /nfs/dbraw/zinc/21/18/98/962211898.db2.gz MJXNFZPNCIPNNV-UHFFFAOYSA-N 1 1 276.424 3.057 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC=C(CNC(=O)CC2(C)CC2)CC1 ZINC001571691472 962212182 /nfs/dbraw/zinc/21/21/82/962212182.db2.gz MIOCERQKFIFYEN-OAHLLOKOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[C@H]1CCC[N@H+]1C[C@@H](CN)c1ccc(OC)cc1 ZINC001574901714 962336643 /nfs/dbraw/zinc/33/66/43/962336643.db2.gz PXWZDHIHQFNFBM-SJORKVTESA-N 1 1 288.435 3.168 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1C[C@@H](CN)c1ccc(OC)cc1 ZINC001574901714 962336661 /nfs/dbraw/zinc/33/66/61/962336661.db2.gz PXWZDHIHQFNFBM-SJORKVTESA-N 1 1 288.435 3.168 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)CC1(C)CCC1 ZINC001588649325 963296719 /nfs/dbraw/zinc/29/67/19/963296719.db2.gz ZCERHFJPBHXRGC-UHFFFAOYSA-N 1 1 297.406 3.045 20 30 CGEDMO Cc1ccncc1[C@H](C)[NH2+]Cc1cccc(F)c1C#N ZINC000589990906 346821149 /nfs/dbraw/zinc/82/11/49/346821149.db2.gz TVPVSVFNSBEISL-LBPRGKRZSA-N 1 1 269.323 3.252 20 30 CGEDMO C=CC[C@@H]1CC[C@H]([NH2+]CCCN2CCCCC2)C1 ZINC000651669444 398266055 /nfs/dbraw/zinc/26/60/55/398266055.db2.gz VIJYQUDEGWQTQB-CVEARBPZSA-N 1 1 250.430 3.197 20 30 CGEDMO N#C[C@@H]1C[N@@H+](Cc2ccc(O)cc2)C[C@H]1c1ccccc1 ZINC000590053743 346823973 /nfs/dbraw/zinc/82/39/73/346823973.db2.gz KXMPVLSPIAUWCG-AEFFLSMTSA-N 1 1 278.355 3.131 20 30 CGEDMO N#C[C@@H]1C[N@H+](Cc2ccc(O)cc2)C[C@H]1c1ccccc1 ZINC000590053743 346823974 /nfs/dbraw/zinc/82/39/74/346823974.db2.gz KXMPVLSPIAUWCG-AEFFLSMTSA-N 1 1 278.355 3.131 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCS[C@H](c3ccccc3)C2)C1 ZINC000590161671 346833261 /nfs/dbraw/zinc/83/32/61/346833261.db2.gz GJLRNDFWTMLZMN-BMFZPTHFSA-N 1 1 272.417 3.469 20 30 CGEDMO CC(C)n1cc(C2=CCC[N@H+]([C@H]3CC[C@@H](C#N)C3)CC2)nn1 ZINC000590659210 346860593 /nfs/dbraw/zinc/86/05/93/346860593.db2.gz YHZZZIQENIGTAN-ZBFHGGJFSA-N 1 1 299.422 3.030 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccncc2)cc1 ZINC000125448272 187185324 /nfs/dbraw/zinc/18/53/24/187185324.db2.gz OHBXDEATFSUZAO-KRWDZBQOSA-N 1 1 263.344 3.290 20 30 CGEDMO CCC(CC)[N@H+](CC(=O)N(CC)C[C@H](C)C#N)CC(C)C ZINC000347543049 282173668 /nfs/dbraw/zinc/17/36/68/282173668.db2.gz XSNPSJCFZDLEGK-OAHLLOKOSA-N 1 1 295.471 3.141 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CC[C@H](C2CCC2)C1 ZINC000591063018 346898021 /nfs/dbraw/zinc/89/80/21/346898021.db2.gz FZVDHNASNQJESS-ZDUSSCGKSA-N 1 1 258.340 3.319 20 30 CGEDMO CN(CC#Cc1ccccc1)CCC[N@@H+](C)Cc1ccco1 ZINC000353579861 529822779 /nfs/dbraw/zinc/82/27/79/529822779.db2.gz XOXDYHHOANXCSV-UHFFFAOYSA-N 1 1 296.414 3.085 20 30 CGEDMO CN(CCC[N@H+](C)CC#Cc1ccccc1)Cc1ccco1 ZINC000353579861 529822780 /nfs/dbraw/zinc/82/27/80/529822780.db2.gz XOXDYHHOANXCSV-UHFFFAOYSA-N 1 1 296.414 3.085 20 30 CGEDMO CN(CCC[N@@H+](C)CC#Cc1ccccc1)Cc1ccco1 ZINC000353579861 529822781 /nfs/dbraw/zinc/82/27/81/529822781.db2.gz XOXDYHHOANXCSV-UHFFFAOYSA-N 1 1 296.414 3.085 20 30 CGEDMO N#Cc1cnccc1C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000592072520 346960297 /nfs/dbraw/zinc/96/02/97/346960297.db2.gz OHEGDQBPINMXIX-INIZCTEOSA-N 1 1 277.371 3.018 20 30 CGEDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccncc1C#N ZINC000592072882 346960728 /nfs/dbraw/zinc/96/07/28/346960728.db2.gz QGKLLVPVGAJSHX-DVOMOZLQSA-N 1 1 255.365 3.106 20 30 CGEDMO COc1ccccc1C1([NH2+]Cc2cc(C#N)ccc2F)CC1 ZINC000592143374 346966830 /nfs/dbraw/zinc/96/68/30/346966830.db2.gz WOYRRTDXMSDDIR-UHFFFAOYSA-N 1 1 296.345 3.485 20 30 CGEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CCC(C)(C)C ZINC000592144285 346967072 /nfs/dbraw/zinc/96/70/72/346967072.db2.gz HKQXGMMEHPYOFD-AWEZNQCLSA-N 1 1 293.455 3.086 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCOC[C@H]1C1CCC1 ZINC000592153505 346967634 /nfs/dbraw/zinc/96/76/34/346967634.db2.gz BKERSPGFLMCIGN-HNNXBMFYSA-N 1 1 264.413 3.207 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC2(CCCC2)O1 ZINC000592186551 346970306 /nfs/dbraw/zinc/97/03/06/346970306.db2.gz DMIVYDBVVKWTKN-AWEZNQCLSA-N 1 1 270.376 3.092 20 30 CGEDMO CC1(CC(F)F)C[NH+](Cc2cccc(C#N)c2)C1 ZINC000592524824 346995586 /nfs/dbraw/zinc/99/55/86/346995586.db2.gz DVDQBYIBVQZMEA-UHFFFAOYSA-N 1 1 250.292 3.035 20 30 CGEDMO CN(CC[C@H]1CCCC[N@H+]1C)Cc1cccc(F)c1C#N ZINC000428224728 529931792 /nfs/dbraw/zinc/93/17/92/529931792.db2.gz RCSTXRFJTMZLBN-OAHLLOKOSA-N 1 1 289.398 3.004 20 30 CGEDMO C[N@@H+](CCC(C)(C)C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593035512 347030205 /nfs/dbraw/zinc/03/02/05/347030205.db2.gz PZCCTZYYUIJLTB-UHFFFAOYSA-N 1 1 275.352 3.334 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC12CCCC2 ZINC000593040097 347030784 /nfs/dbraw/zinc/03/07/84/347030784.db2.gz YMYZYEKUCKPKJK-UHFFFAOYSA-N 1 1 256.349 3.085 20 30 CGEDMO C[C@H]1C[N@@H+](C[C@H](C#N)CCC#N)CCc2ccccc21 ZINC000593095950 347039077 /nfs/dbraw/zinc/03/90/77/347039077.db2.gz ORBQPPBFKOZJKM-GJZGRUSLSA-N 1 1 267.376 3.092 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@H]1CCOC1 ZINC000356113665 529983990 /nfs/dbraw/zinc/98/39/90/529983990.db2.gz QXTJAFSISXNRDY-GFCCVEGCSA-N 1 1 298.308 3.045 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+](Cc1cccs1)C1CC1 ZINC000045007134 345018879 /nfs/dbraw/zinc/01/88/79/345018879.db2.gz DISHMTFYQFGBMY-UHFFFAOYSA-N 1 1 292.448 3.137 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+](Cc1cccs1)C1CC1 ZINC000045007134 345018883 /nfs/dbraw/zinc/01/88/83/345018883.db2.gz DISHMTFYQFGBMY-UHFFFAOYSA-N 1 1 292.448 3.137 20 30 CGEDMO C[N@@H+](CCCC#N)Cc1ccc(C(F)(F)F)cc1 ZINC000052927857 345111095 /nfs/dbraw/zinc/11/10/95/345111095.db2.gz SAODWJONLMUIRR-UHFFFAOYSA-N 1 1 256.271 3.441 20 30 CGEDMO COc1ccc2c(c1)CCC[N@H+](CCCSCC#N)C2 ZINC000074990250 345490046 /nfs/dbraw/zinc/49/00/46/345490046.db2.gz RDFNQQBULRNCFV-UHFFFAOYSA-N 1 1 290.432 3.090 20 30 CGEDMO CC(C)C[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C1CC1 ZINC000075624146 345515691 /nfs/dbraw/zinc/51/56/91/345515691.db2.gz LYLRYEOKYYXGIQ-UHFFFAOYSA-N 1 1 296.374 3.229 20 30 CGEDMO CC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H](C)C(C)C ZINC000075673597 345518382 /nfs/dbraw/zinc/51/83/82/345518382.db2.gz OVNBOHTYQDXKCZ-ZDUSSCGKSA-N 1 1 298.390 3.475 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccco1 ZINC000084135259 345729910 /nfs/dbraw/zinc/72/99/10/345729910.db2.gz JVZAGFFWIAAWJH-INIZCTEOSA-N 1 1 271.360 3.391 20 30 CGEDMO CCC[N@H+]1CC[C@@H](CNc2cc(Cl)ccc2C#N)C1 ZINC000091457836 345814961 /nfs/dbraw/zinc/81/49/61/345814961.db2.gz URVDMKMJJPCOIV-LBPRGKRZSA-N 1 1 277.799 3.355 20 30 CGEDMO CCC[N@H+]1CC[C@H](CNc2cc(Cl)ccc2C#N)C1 ZINC000091457835 345815033 /nfs/dbraw/zinc/81/50/33/345815033.db2.gz URVDMKMJJPCOIV-GFCCVEGCSA-N 1 1 277.799 3.355 20 30 CGEDMO CC(C)n1cc([C@@H](C)[NH2+]Cc2cc(C#N)ccc2F)cn1 ZINC000090117934 345783959 /nfs/dbraw/zinc/78/39/59/345783959.db2.gz ZKHCPQJNTWZBSB-GFCCVEGCSA-N 1 1 286.354 3.326 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H](CNc2snc(Cl)c2C#N)C1 ZINC000092626543 345848077 /nfs/dbraw/zinc/84/80/77/345848077.db2.gz SLGKBMZIOROPCQ-SNVBAGLBSA-N 1 1 298.843 3.200 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCNc1ccc2cc(C#N)ccc2n1 ZINC000092890860 345861307 /nfs/dbraw/zinc/86/13/07/345861307.db2.gz YHQXXWLPONHHCD-CQSZACIVSA-N 1 1 294.402 3.393 20 30 CGEDMO N#Cc1ccc(NC(=O)C[N@H+]2CCC3(C2)CCCCC3)cc1 ZINC000129991108 346053568 /nfs/dbraw/zinc/05/35/68/346053568.db2.gz ASHRONPIGMULJG-UHFFFAOYSA-N 1 1 297.402 3.153 20 30 CGEDMO C[C@H](CC#N)[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000134971386 346084858 /nfs/dbraw/zinc/08/48/58/346084858.db2.gz FERFHVDQBQMYRT-MRVPVSSYSA-N 1 1 287.588 3.494 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCOc2ccccc2C1 ZINC000165479758 346184843 /nfs/dbraw/zinc/18/48/43/346184843.db2.gz OCEUBUUPTOZTNA-UHFFFAOYSA-N 1 1 278.355 3.261 20 30 CGEDMO Cc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000230616847 346321476 /nfs/dbraw/zinc/32/14/76/346321476.db2.gz CNPYZMKPSYRQHG-VIFPVBQESA-N 1 1 273.311 3.153 20 30 CGEDMO Cn1c[nH+]c2cc(NC3CCC(C#N)CC3)ccc21 ZINC000258757967 346401365 /nfs/dbraw/zinc/40/13/65/346401365.db2.gz KBCRXLKVFJUQQA-UHFFFAOYSA-N 1 1 254.337 3.068 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCc2ccccc2[C@@H]1CC ZINC000261488812 346403329 /nfs/dbraw/zinc/40/33/29/346403329.db2.gz XEILUTXDCMSKIG-SFHVURJKSA-N 1 1 298.430 3.196 20 30 CGEDMO COc1ccc2c(c1)C1(CC1)C[N@@H+]([C@H]1CC[C@@H](C#N)C1)C2 ZINC000293542521 346431580 /nfs/dbraw/zinc/43/15/80/346431580.db2.gz KJUWFSRHWROQKC-HIFRSBDPSA-N 1 1 282.387 3.235 20 30 CGEDMO C=CC[C@H]1CC[C@H]([NH2+][C@@H](C)C(=O)OC(C)(C)C)C1 ZINC000593584270 347092569 /nfs/dbraw/zinc/09/25/69/347092569.db2.gz ZWAIOBTUNPUNDD-AVGNSLFASA-N 1 1 253.386 3.051 20 30 CGEDMO C[C@@H]1CN(CC2(CC#N)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000324072098 346490719 /nfs/dbraw/zinc/49/07/19/346490719.db2.gz XXXIUDQIXSBZAV-KRWDZBQOSA-N 1 1 297.446 3.134 20 30 CGEDMO C[C@H]1CN(Cc2ccccc2)CC[N@H+](CC2(CC#N)CC2)C1 ZINC000324072098 346490723 /nfs/dbraw/zinc/49/07/23/346490723.db2.gz XXXIUDQIXSBZAV-KRWDZBQOSA-N 1 1 297.446 3.134 20 30 CGEDMO C[C@H]1CN(Cc2ccccc2)CC[N@@H+](CC2(CC#N)CC2)C1 ZINC000324072098 346490727 /nfs/dbraw/zinc/49/07/27/346490727.db2.gz XXXIUDQIXSBZAV-KRWDZBQOSA-N 1 1 297.446 3.134 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2nc3ccccc3s2)C1 ZINC000397875060 346586105 /nfs/dbraw/zinc/58/61/05/346586105.db2.gz YOQSKXDZEOSQGF-GFCCVEGCSA-N 1 1 271.389 3.422 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2nc3ccccc3s2)C1 ZINC000397875060 346586107 /nfs/dbraw/zinc/58/61/07/346586107.db2.gz YOQSKXDZEOSQGF-GFCCVEGCSA-N 1 1 271.389 3.422 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccnc(C#N)c2)CCc2ccccc21 ZINC000404723211 346600803 /nfs/dbraw/zinc/60/08/03/346600803.db2.gz WDDMUBOVQKVQEZ-AWEZNQCLSA-N 1 1 277.371 3.115 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)[C@H]2CCN(C)C[C@@H]2C)cc1 ZINC000561983387 346659652 /nfs/dbraw/zinc/65/96/52/346659652.db2.gz UWMAKAHVCLESAX-YJBOKZPZSA-N 1 1 288.435 3.023 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000586775102 346734082 /nfs/dbraw/zinc/73/40/82/346734082.db2.gz FFQXSHQMDSUFNI-QGZVFWFLSA-N 1 1 280.375 3.317 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000586775102 346734084 /nfs/dbraw/zinc/73/40/84/346734084.db2.gz FFQXSHQMDSUFNI-QGZVFWFLSA-N 1 1 280.375 3.317 20 30 CGEDMO CC(C)C[N@@H+](C)CCCN[C@H](C)c1ccc(C#N)cc1F ZINC000593715455 347106935 /nfs/dbraw/zinc/10/69/35/347106935.db2.gz LYYPHRUZJROTHL-CQSZACIVSA-N 1 1 291.414 3.326 20 30 CGEDMO N#CC1(C[NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000589176037 346786774 /nfs/dbraw/zinc/78/67/74/346786774.db2.gz AHXVDFJCURAPOA-ZDUSSCGKSA-N 1 1 291.192 3.330 20 30 CGEDMO CN(C)c1ccccc1C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000589210510 346790344 /nfs/dbraw/zinc/79/03/44/346790344.db2.gz GCOHVFGHRCYGDV-UHFFFAOYSA-N 1 1 285.416 3.318 20 30 CGEDMO CC(C)[N@@H+](C)C[C@@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000589350430 346794911 /nfs/dbraw/zinc/79/49/11/346794911.db2.gz UKGNZBNMMPEPAU-KDOFPFPSSA-N 1 1 285.435 3.254 20 30 CGEDMO CC(C)[N@H+](C)C[C@@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000589350430 346794915 /nfs/dbraw/zinc/79/49/15/346794915.db2.gz UKGNZBNMMPEPAU-KDOFPFPSSA-N 1 1 285.435 3.254 20 30 CGEDMO Cc1ccc(-c2noc([C@@H]([NH3+])CCCCC#N)n2)cc1 ZINC000593944587 347121570 /nfs/dbraw/zinc/12/15/70/347121570.db2.gz XDZBDPVUORQANC-ZDUSSCGKSA-N 1 1 270.336 3.129 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(OCc2ccccc2)nc1 ZINC000594008635 347136731 /nfs/dbraw/zinc/13/67/31/347136731.db2.gz XMBGFMBKFDPBPS-QGZVFWFLSA-N 1 1 295.386 3.442 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCC[C@H](OC3CCC3)C2)cc1 ZINC000594021928 347137990 /nfs/dbraw/zinc/13/79/90/347137990.db2.gz ZVUQKKMZVRZGBB-SFHVURJKSA-N 1 1 284.403 3.286 20 30 CGEDMO N#CC1(CC[N@@H+]2CCCCC[C@@H]2CO)CCCCC1 ZINC000594016748 347138030 /nfs/dbraw/zinc/13/80/30/347138030.db2.gz HFQKQYKYBSFRAK-OAHLLOKOSA-N 1 1 264.413 3.087 20 30 CGEDMO N#CC1(C[NH+]2CCC(c3ccc4cccnc4n3)CC2)CC1 ZINC000594019937 347138437 /nfs/dbraw/zinc/13/84/37/347138437.db2.gz SUSAVNGYKLOXKS-UHFFFAOYSA-N 1 1 292.386 3.113 20 30 CGEDMO C[N@@H+](Cc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CC[C@@H](C#N)C1 ZINC000594035710 347141759 /nfs/dbraw/zinc/14/17/59/347141759.db2.gz SZSRAULEPLZBAI-ZYHUDNBSSA-N 1 1 294.301 3.132 20 30 CGEDMO N#CC1(C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CC2)CC1 ZINC000594036007 347141812 /nfs/dbraw/zinc/14/18/12/347141812.db2.gz YZPMVGYWIZXJMJ-UHFFFAOYSA-N 1 1 296.292 3.468 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@H]1CSc1cccnc1C#N ZINC000594450972 347175593 /nfs/dbraw/zinc/17/55/93/347175593.db2.gz AJJIOCXHZPNPIO-ZDUSSCGKSA-N 1 1 275.421 3.308 20 30 CGEDMO CC(C)(C#N)c1ccc(CNC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000594494821 347177604 /nfs/dbraw/zinc/17/76/04/347177604.db2.gz IFJCUMVBZFADOO-MRXNPFEDSA-N 1 1 297.446 3.062 20 30 CGEDMO CC(C)(C#N)c1ccc(CNC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000594494821 347177609 /nfs/dbraw/zinc/17/76/09/347177609.db2.gz IFJCUMVBZFADOO-MRXNPFEDSA-N 1 1 297.446 3.062 20 30 CGEDMO CCC[N@@H+]1CC[C@H](CNCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594496858 347178179 /nfs/dbraw/zinc/17/81/79/347178179.db2.gz XUXXWVDPWMKLKG-QGZVFWFLSA-N 1 1 299.462 3.309 20 30 CGEDMO CCC[N@H+]1CC[C@H](CNCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594496858 347178182 /nfs/dbraw/zinc/17/81/82/347178182.db2.gz XUXXWVDPWMKLKG-QGZVFWFLSA-N 1 1 299.462 3.309 20 30 CGEDMO CC(C)(C#N)c1ccc(CN[C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000594496071 347178714 /nfs/dbraw/zinc/17/87/14/347178714.db2.gz YUOBTXVIEWWINN-ZWKOTPCHSA-N 1 1 297.446 3.204 20 30 CGEDMO CC(C)(C#N)c1ccc(C[NH2+][C@H]2CCN3CCCC[C@H]23)cc1 ZINC000594496071 347178716 /nfs/dbraw/zinc/17/87/16/347178716.db2.gz YUOBTXVIEWWINN-ZWKOTPCHSA-N 1 1 297.446 3.204 20 30 CGEDMO C[C@@H]1C[C@H](NC2(c3ccc(C#N)cc3)CCC2)CC[N@@H+]1C ZINC000594514731 347184844 /nfs/dbraw/zinc/18/48/44/347184844.db2.gz LCMOTHRWPMEIHR-RHSMWYFYSA-N 1 1 283.419 3.010 20 30 CGEDMO C[C@@H]1C[C@H](NC2(c3ccc(C#N)cc3)CCC2)CC[N@H+]1C ZINC000594514731 347184847 /nfs/dbraw/zinc/18/48/47/347184847.db2.gz LCMOTHRWPMEIHR-RHSMWYFYSA-N 1 1 283.419 3.010 20 30 CGEDMO C[C@H]1C[C@@H](NC2(c3ccc(C#N)cc3)CCC2)CC[N@@H+]1C ZINC000594515202 347185832 /nfs/dbraw/zinc/18/58/32/347185832.db2.gz LCMOTHRWPMEIHR-YOEHRIQHSA-N 1 1 283.419 3.010 20 30 CGEDMO C[C@H]1C[C@@H](NC2(c3ccc(C#N)cc3)CCC2)CC[N@H+]1C ZINC000594515202 347185836 /nfs/dbraw/zinc/18/58/36/347185836.db2.gz LCMOTHRWPMEIHR-YOEHRIQHSA-N 1 1 283.419 3.010 20 30 CGEDMO C[C@H]1Cc2[nH+]cn(CCc3ccc(C#N)cc3)c2C[C@@H]1C ZINC000594900221 347225205 /nfs/dbraw/zinc/22/52/05/347225205.db2.gz QQXIICRUQAYZIF-KBPBESRZSA-N 1 1 279.387 3.368 20 30 CGEDMO C[C@@H]1CCC[N@H+](CCNCc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594926683 347231400 /nfs/dbraw/zinc/23/14/00/347231400.db2.gz VGFAHPFMQACZEB-MRXNPFEDSA-N 1 1 297.446 3.063 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCNCc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594926683 347231404 /nfs/dbraw/zinc/23/14/04/347231404.db2.gz VGFAHPFMQACZEB-MRXNPFEDSA-N 1 1 297.446 3.063 20 30 CGEDMO CC(C)[N@@H+](CCc1ccc(C#N)cc1)Cc1ccccn1 ZINC000595293451 347287215 /nfs/dbraw/zinc/28/72/15/347287215.db2.gz NZVQUKGNJHDRRU-UHFFFAOYSA-N 1 1 279.387 3.406 20 30 CGEDMO COCC[N@@H+](CCC#N)C[C@@H]1CCCCC1(C)C ZINC000595333223 347293747 /nfs/dbraw/zinc/29/37/47/347293747.db2.gz NLNIKKBLKAHYLC-AWEZNQCLSA-N 1 1 252.402 3.065 20 30 CGEDMO C[C@@H](CC#N)[N@H+](C)CCc1nsc2ccccc21 ZINC000595344324 347294684 /nfs/dbraw/zinc/29/46/84/347294684.db2.gz MDIVCCBYVJYUNW-NSHDSACASA-N 1 1 259.378 3.073 20 30 CGEDMO C[C@@H](CC#N)[N@@H+](C)CCc1nsc2ccccc21 ZINC000595344324 347294687 /nfs/dbraw/zinc/29/46/87/347294687.db2.gz MDIVCCBYVJYUNW-NSHDSACASA-N 1 1 259.378 3.073 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000595359605 347296959 /nfs/dbraw/zinc/29/69/59/347296959.db2.gz QSABVAIGFVUQOG-QGZVFWFLSA-N 1 1 265.360 3.266 20 30 CGEDMO C[C@H](NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc(C#N)cc1F ZINC000595055068 347270933 /nfs/dbraw/zinc/27/09/33/347270933.db2.gz ZXOUOOJMRHQSBE-GXTWGEPZSA-N 1 1 289.398 3.221 20 30 CGEDMO C[C@H](NC[C@H]1CC[N@H+]1C(C)(C)C)c1ccc(C#N)cc1F ZINC000595055068 347270934 /nfs/dbraw/zinc/27/09/34/347270934.db2.gz ZXOUOOJMRHQSBE-GXTWGEPZSA-N 1 1 289.398 3.221 20 30 CGEDMO CCN(C(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC000595609383 347325441 /nfs/dbraw/zinc/32/54/41/347325441.db2.gz JHCUBUBEMARWNE-HOTGVXAUSA-N 1 1 299.418 3.054 20 30 CGEDMO CCN(C(=O)[C@H](C)[N@H+]1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC000595609383 347325444 /nfs/dbraw/zinc/32/54/44/347325444.db2.gz JHCUBUBEMARWNE-HOTGVXAUSA-N 1 1 299.418 3.054 20 30 CGEDMO COc1cccc(SCC[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595614506 347327208 /nfs/dbraw/zinc/32/72/08/347327208.db2.gz DBWRGCHKAFJIED-CQSZACIVSA-N 1 1 290.432 3.413 20 30 CGEDMO COc1cccc(CCC[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595615369 347327702 /nfs/dbraw/zinc/32/77/02/347327702.db2.gz QEMOJHFSNAOHEC-INIZCTEOSA-N 1 1 272.392 3.253 20 30 CGEDMO C=CC[N@H+](CCC1(C#N)CCCCC1)[C@H](C)COC ZINC000595640014 347331904 /nfs/dbraw/zinc/33/19/04/347331904.db2.gz YXISXONGKOREMJ-OAHLLOKOSA-N 1 1 264.413 3.373 20 30 CGEDMO N#CCC[C@H](C#N)C[N@H+]1CCCC2(CCCC2)CC1 ZINC000595643864 347332302 /nfs/dbraw/zinc/33/23/02/347332302.db2.gz ZXPRHUFPDFLHNV-OAHLLOKOSA-N 1 1 259.397 3.476 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000595657612 347334069 /nfs/dbraw/zinc/33/40/69/347334069.db2.gz CXYYYFNQHCDUFC-CYBMUJFWSA-N 1 1 285.347 3.255 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000595657612 347334070 /nfs/dbraw/zinc/33/40/70/347334070.db2.gz CXYYYFNQHCDUFC-CYBMUJFWSA-N 1 1 285.347 3.255 20 30 CGEDMO CCC1(CC)CCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000595752405 347350199 /nfs/dbraw/zinc/35/01/99/347350199.db2.gz LFJYVUYARZCIPA-UHFFFAOYSA-N 1 1 263.410 3.417 20 30 CGEDMO CCC1(CC)CCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000595752405 347350200 /nfs/dbraw/zinc/35/02/00/347350200.db2.gz LFJYVUYARZCIPA-UHFFFAOYSA-N 1 1 263.410 3.417 20 30 CGEDMO N#Cc1c(C[N@@H+]2CCC[C@@H](CCF)C2)cn2ccccc12 ZINC000595755139 347350527 /nfs/dbraw/zinc/35/05/27/347350527.db2.gz HCBLVIHARZWLEZ-AWEZNQCLSA-N 1 1 285.366 3.383 20 30 CGEDMO C[C@H]1COC2(CCCC2)C[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000595816828 347359678 /nfs/dbraw/zinc/35/96/78/347359678.db2.gz YCDZPAIOMSYPTM-ZDUSSCGKSA-N 1 1 288.366 3.231 20 30 CGEDMO C[C@H]1COC2(CCCC2)C[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000595816828 347359681 /nfs/dbraw/zinc/35/96/81/347359681.db2.gz YCDZPAIOMSYPTM-ZDUSSCGKSA-N 1 1 288.366 3.231 20 30 CGEDMO N#Cc1cccc(OCCC[N@@H+]2CCC[C@H](CCF)C2)c1 ZINC000595755678 347351393 /nfs/dbraw/zinc/35/13/93/347351393.db2.gz OGAVEKGIIHDXNG-OAHLLOKOSA-N 1 1 290.382 3.399 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H](CCF)C2)ccc1F ZINC000595755891 347352049 /nfs/dbraw/zinc/35/20/49/347352049.db2.gz QTXAOPSPFKZTNT-LBPRGKRZSA-N 1 1 264.319 3.269 20 30 CGEDMO C=CC[N@H+](CC[S@](=O)c1ccccc1)C(C)(C)C ZINC000595762822 347352756 /nfs/dbraw/zinc/35/27/56/347352756.db2.gz HGGJGCODGKVLHG-SFHVURJKSA-N 1 1 265.422 3.081 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)s1 ZINC000595788020 347356231 /nfs/dbraw/zinc/35/62/31/347356231.db2.gz MBRAWZGICRRTRZ-CZUORRHYSA-N 1 1 290.432 3.401 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000595840674 347365456 /nfs/dbraw/zinc/36/54/56/347365456.db2.gz RSCQPBRSOCCHML-CQSZACIVSA-N 1 1 298.308 3.320 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000595840674 347365459 /nfs/dbraw/zinc/36/54/59/347365459.db2.gz RSCQPBRSOCCHML-CQSZACIVSA-N 1 1 298.308 3.320 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C(=O)OC)s1 ZINC000595844907 347367311 /nfs/dbraw/zinc/36/73/11/347367311.db2.gz HKVZQANBUQPRKJ-TXEJJXNPSA-N 1 1 277.389 3.218 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C(=O)OC)c1ccccc1 ZINC000595845943 347367393 /nfs/dbraw/zinc/36/73/93/347367393.db2.gz XOURVWGKNRWYNZ-OWCLPIDISA-N 1 1 271.360 3.084 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1cccc(C#N)c1 ZINC000595845432 347367464 /nfs/dbraw/zinc/36/74/64/347367464.db2.gz NXVNVXZNUARJKV-CALCHBBNSA-N 1 1 295.386 3.070 20 30 CGEDMO C[N@@H+](C[C@H](C#N)CCC#N)C[C@H]1CCc2ccccc21 ZINC000595876086 347369414 /nfs/dbraw/zinc/36/94/14/347369414.db2.gz CTJOKORNMOWOBK-GOEBONIOSA-N 1 1 267.376 3.092 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC000595918657 347372650 /nfs/dbraw/zinc/37/26/50/347372650.db2.gz KBENQVWQDWDNKA-GFCCVEGCSA-N 1 1 294.420 3.075 20 30 CGEDMO Cc1cc(C)c(C#N)c(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000596570053 347480811 /nfs/dbraw/zinc/48/08/11/347480811.db2.gz IGDYZMJUNOKCCH-INIZCTEOSA-N 1 1 298.434 3.104 20 30 CGEDMO CC[N@@H+](Cc1cnc2n1CCC2)[C@@H](C)c1ccc(C#N)cc1 ZINC000596983682 347524853 /nfs/dbraw/zinc/52/48/53/347524853.db2.gz FAYFICMREZSSPR-AWEZNQCLSA-N 1 1 294.402 3.284 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@H]1C ZINC000597007258 347526678 /nfs/dbraw/zinc/52/66/78/347526678.db2.gz BIYJIYQSFPOPEP-OKILXGFUSA-N 1 1 254.377 3.330 20 30 CGEDMO CC(C)(C)C[N@@H+](CCO)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597003017 347526850 /nfs/dbraw/zinc/52/68/50/347526850.db2.gz LAWWSLLLEZLGDO-UHFFFAOYSA-N 1 1 286.419 3.082 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](C[C@H]2C[C@H]2c2ccccc2)C1 ZINC000597177568 347545161 /nfs/dbraw/zinc/54/51/61/347545161.db2.gz PILVCLRJUXXOCZ-UAGQMJEPSA-N 1 1 254.377 3.416 20 30 CGEDMO CC(C)[C@H]1CN(C)CC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597084900 347534518 /nfs/dbraw/zinc/53/45/18/347534518.db2.gz QQDJKEYTJSNEQL-GOSISDBHSA-N 1 1 297.446 3.014 20 30 CGEDMO CC(C)[C@H]1C[N@H+](C)CCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597084900 347534520 /nfs/dbraw/zinc/53/45/20/347534520.db2.gz QQDJKEYTJSNEQL-GOSISDBHSA-N 1 1 297.446 3.014 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](C)CCN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597084900 347534523 /nfs/dbraw/zinc/53/45/23/347534523.db2.gz QQDJKEYTJSNEQL-GOSISDBHSA-N 1 1 297.446 3.014 20 30 CGEDMO CO[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CC[C@@H]1C ZINC000597110712 347535603 /nfs/dbraw/zinc/53/56/03/347535603.db2.gz KIYUHUVBXLOLDD-WMLDXEAASA-N 1 1 284.403 3.099 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000597173144 347543191 /nfs/dbraw/zinc/54/31/91/347543191.db2.gz GOZNLMANJPDESQ-AWEZNQCLSA-N 1 1 268.360 3.088 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000597230922 347559105 /nfs/dbraw/zinc/55/91/05/347559105.db2.gz UWCUBHGRBGKVHB-SFHVURJKSA-N 1 1 277.371 3.484 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](Cc2cccc(-c3ccccn3)c2)C1 ZINC000597230922 347559110 /nfs/dbraw/zinc/55/91/10/347559110.db2.gz UWCUBHGRBGKVHB-SFHVURJKSA-N 1 1 277.371 3.484 20 30 CGEDMO C[C@H](CCc1ccccc1)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597232038 347559768 /nfs/dbraw/zinc/55/97/68/347559768.db2.gz RCCPQUAVGLPXHT-WBVHZDCISA-N 1 1 256.393 3.491 20 30 CGEDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@H](C)CC#N)c2C1 ZINC000597414901 347573912 /nfs/dbraw/zinc/57/39/12/347573912.db2.gz SIGFEXAIQKYTHA-CYBMUJFWSA-N 1 1 285.391 3.146 20 30 CGEDMO C[N@H+]1CC[C@H](NCc2ccc(C#N)c(Cl)c2)CC1(C)C ZINC000598980837 347703264 /nfs/dbraw/zinc/70/32/64/347703264.db2.gz YPTXKADOMPTVHM-AWEZNQCLSA-N 1 1 291.826 3.174 20 30 CGEDMO CN1CC[C@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)CC1(C)C ZINC000598980837 347703269 /nfs/dbraw/zinc/70/32/69/347703269.db2.gz YPTXKADOMPTVHM-AWEZNQCLSA-N 1 1 291.826 3.174 20 30 CGEDMO Cc1ccccc1C[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1CC1 ZINC000598587068 347666610 /nfs/dbraw/zinc/66/66/10/347666610.db2.gz MXHFUXDKXHQQFF-KRWDZBQOSA-N 1 1 286.419 3.260 20 30 CGEDMO C[C@H](C[N@@H+](C)C[C@H](O)CC(C)(C)C#N)c1ccccc1 ZINC000598588539 347667731 /nfs/dbraw/zinc/66/77/31/347667731.db2.gz BTDWUPSPQFFPBY-GDBMZVCRSA-N 1 1 274.408 3.023 20 30 CGEDMO CC(C)(C)[C@H]1CCC[N@@H+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598592970 347668442 /nfs/dbraw/zinc/66/84/42/347668442.db2.gz PGGORRCUYDMAAE-LSDHHAIUSA-N 1 1 280.456 3.435 20 30 CGEDMO CC(C)C[C@@H]1CCCC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598598375 347669420 /nfs/dbraw/zinc/66/94/20/347669420.db2.gz QKTYUVYLYHWBTG-LSDHHAIUSA-N 1 1 266.429 3.188 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@H]1CC1CCCC1 ZINC000598621733 347672243 /nfs/dbraw/zinc/67/22/43/347672243.db2.gz CKNGVIOUHRJACF-JKSUJKDBSA-N 1 1 278.440 3.332 20 30 CGEDMO CC(C)OC1CC([N@H+]2CCc3c(CC#N)cccc3C2)C1 ZINC000599677723 347764441 /nfs/dbraw/zinc/76/44/41/347764441.db2.gz KMIYABAMFHWWND-UHFFFAOYSA-N 1 1 284.403 3.067 20 30 CGEDMO CC[N@@H+](CCCCC(=O)OC)[C@H](C)c1ccc(C#N)cc1 ZINC000599270251 347730664 /nfs/dbraw/zinc/73/06/64/347730664.db2.gz DVBBSLTYJMJEOL-CQSZACIVSA-N 1 1 288.391 3.284 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@]3(CCCOC3)C2)cc1C#N ZINC000599307854 347734693 /nfs/dbraw/zinc/73/46/93/347734693.db2.gz NJSZOCFIXMNCGF-SFHVURJKSA-N 1 1 284.403 3.259 20 30 CGEDMO CCO[C@@H]1CC[N@@H+](Cc2ccc(C)c(C#N)c2)C[C@H]1C ZINC000599434221 347744559 /nfs/dbraw/zinc/74/45/59/347744559.db2.gz VDZQIVSQLBQSPH-RHSMWYFYSA-N 1 1 272.392 3.114 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000599530020 347751395 /nfs/dbraw/zinc/75/13/95/347751395.db2.gz SEVJQLDQDVIASF-GFCCVEGCSA-N 1 1 276.336 3.001 20 30 CGEDMO C[C@@H](C[N@@H+](C)C[C@@H](O)CC(C)(C)C#N)C1CCCCC1 ZINC000599633338 347760542 /nfs/dbraw/zinc/76/05/42/347760542.db2.gz QTVDTQRLQZBQTB-HOCLYGCPSA-N 1 1 280.456 3.435 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CCO[C@H](CCF)C2)cc1 ZINC000599640024 347761582 /nfs/dbraw/zinc/76/15/82/347761582.db2.gz BQVBVMINSKIJEM-MRXNPFEDSA-N 1 1 290.382 3.048 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCO[C@H](CCF)C2)cc1 ZINC000599640024 347761584 /nfs/dbraw/zinc/76/15/84/347761584.db2.gz BQVBVMINSKIJEM-MRXNPFEDSA-N 1 1 290.382 3.048 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CC[C@H](c3ccc(O)cc3)C2)c1 ZINC000600214008 347794128 /nfs/dbraw/zinc/79/41/28/347794128.db2.gz KBDLXHXZCPYWHY-AWEZNQCLSA-N 1 1 284.384 3.315 20 30 CGEDMO COc1ccccc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000600213822 347794338 /nfs/dbraw/zinc/79/43/38/347794338.db2.gz IBHZEGQIILVCPS-UHFFFAOYSA-N 1 1 292.382 3.320 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000600146334 347784683 /nfs/dbraw/zinc/78/46/83/347784683.db2.gz VFSYIOPQXYPYDZ-UHFFFAOYSA-N 1 1 262.300 3.406 20 30 CGEDMO Cc1ncc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)o1 ZINC000600164314 347786814 /nfs/dbraw/zinc/78/68/14/347786814.db2.gz HOYOROPQRLMKQS-LLVKDONJSA-N 1 1 255.321 3.048 20 30 CGEDMO Cc1ncc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)o1 ZINC000600164314 347786818 /nfs/dbraw/zinc/78/68/18/347786818.db2.gz HOYOROPQRLMKQS-LLVKDONJSA-N 1 1 255.321 3.048 20 30 CGEDMO CN(C)c1c(F)c(F)ccc1C[NH2+]CC1(C#N)CCCC1 ZINC000600173117 347789164 /nfs/dbraw/zinc/78/91/64/347789164.db2.gz LYXVQBOBNFXKBL-UHFFFAOYSA-N 1 1 293.361 3.204 20 30 CGEDMO CN(C)c1c(F)c(F)ccc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000600176765 347789755 /nfs/dbraw/zinc/78/97/55/347789755.db2.gz GMAZKMRXRXQKQH-LBPRGKRZSA-N 1 1 293.361 3.156 20 30 CGEDMO CN(C)c1c(F)c(F)ccc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000600176765 347789756 /nfs/dbraw/zinc/78/97/56/347789756.db2.gz GMAZKMRXRXQKQH-LBPRGKRZSA-N 1 1 293.361 3.156 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000600189505 347791759 /nfs/dbraw/zinc/79/17/59/347791759.db2.gz IVVWVBLIYMHHTM-OLZOCXBDSA-N 1 1 252.427 3.286 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000602453257 347960792 /nfs/dbraw/zinc/96/07/92/347960792.db2.gz HTYCUVZIKKOBQH-INMHGKMJSA-N 1 1 272.392 3.388 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)Cc1ccc2nccnc2c1 ZINC000602465243 347963153 /nfs/dbraw/zinc/96/31/53/347963153.db2.gz MBKBKNHZQSSANO-UHFFFAOYSA-N 1 1 282.391 3.392 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)Cc1ccc2nccnc2c1 ZINC000602465243 347963155 /nfs/dbraw/zinc/96/31/55/347963155.db2.gz MBKBKNHZQSSANO-UHFFFAOYSA-N 1 1 282.391 3.392 20 30 CGEDMO Cc1cc([C@H]2C[N@H+](C[C@@H](C)CCC#N)CCO2)ccc1F ZINC000602477788 347964986 /nfs/dbraw/zinc/96/49/86/347964986.db2.gz UEWZOLGQOROECD-SUMWQHHRSA-N 1 1 290.382 3.447 20 30 CGEDMO Cc1cc([C@H]2C[N@@H+](C[C@@H](C)CCC#N)CCO2)ccc1F ZINC000602477788 347964988 /nfs/dbraw/zinc/96/49/88/347964988.db2.gz UEWZOLGQOROECD-SUMWQHHRSA-N 1 1 290.382 3.447 20 30 CGEDMO CC[C@@H](C)[C@H]1CCCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602475487 347965241 /nfs/dbraw/zinc/96/52/41/347965241.db2.gz BVEVMGNYRNRXDO-CZUORRHYSA-N 1 1 257.381 3.354 20 30 CGEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@H](C)CCC#N)C12CCC2 ZINC000602482389 347967102 /nfs/dbraw/zinc/96/71/02/347967102.db2.gz GBVSETUIMIMKMX-RBSFLKMASA-N 1 1 264.413 3.206 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000602484609 347967825 /nfs/dbraw/zinc/96/78/25/347967825.db2.gz NXWALYKRHMHZSR-SJLPKXTDSA-N 1 1 286.419 3.260 20 30 CGEDMO C[C@@]1(C#N)CCC[N@H+](Cc2cccc3ncccc23)C1 ZINC000602611562 347993916 /nfs/dbraw/zinc/99/39/16/347993916.db2.gz WVEMEROBCDUAFN-KRWDZBQOSA-N 1 1 265.360 3.360 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000602611562 347993917 /nfs/dbraw/zinc/99/39/17/347993917.db2.gz WVEMEROBCDUAFN-KRWDZBQOSA-N 1 1 265.360 3.360 20 30 CGEDMO COc1ccc2c(c1)CC[N@H+](C[C@H](C)CCC#N)CC2 ZINC000602627309 347996694 /nfs/dbraw/zinc/99/66/94/347996694.db2.gz QTJCZOQWDCFWQC-CQSZACIVSA-N 1 1 272.392 3.036 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000602628376 347996813 /nfs/dbraw/zinc/99/68/13/347996813.db2.gz WSYGKOVOGZVQQW-CQSZACIVSA-N 1 1 264.413 3.350 20 30 CGEDMO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1C[C@@H](C)CCC#N ZINC000602637169 347998463 /nfs/dbraw/zinc/99/84/63/347998463.db2.gz LPRMOZPMTIXPIP-HOCLYGCPSA-N 1 1 280.412 3.124 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C[C@@H](C)c1ccccc1)[C@@H](C)CO ZINC000602667807 348005027 /nfs/dbraw/zinc/00/50/27/348005027.db2.gz TXQZELXZVLQBMZ-BBWFWOEESA-N 1 1 288.435 3.413 20 30 CGEDMO C[C@@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602675288 348006597 /nfs/dbraw/zinc/00/65/97/348006597.db2.gz LNDGSKKCQNMQND-GHMZBOCLSA-N 1 1 283.297 3.116 20 30 CGEDMO C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1cccc(C#N)n1 ZINC000602675288 348006599 /nfs/dbraw/zinc/00/65/99/348006599.db2.gz LNDGSKKCQNMQND-GHMZBOCLSA-N 1 1 283.297 3.116 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC000602679602 348007269 /nfs/dbraw/zinc/00/72/69/348007269.db2.gz MEXBESMRRUPREX-IUODEOHRSA-N 1 1 280.799 3.245 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000602694381 348010782 /nfs/dbraw/zinc/01/07/82/348010782.db2.gz MCAZAQUHCMZBFY-NZSAHSFTSA-N 1 1 297.446 3.133 20 30 CGEDMO CN1C[C@@H](C[NH2+]C2CCC(C#N)CC2)[C@H](c2ccccc2)C1 ZINC000602696904 348011164 /nfs/dbraw/zinc/01/11/64/348011164.db2.gz LRSLCXCDONZYIO-IOXAMRCBSA-N 1 1 297.446 3.004 20 30 CGEDMO CC[C@H]([NH2+]Cc1cccc(C#N)n1)c1ccccc1F ZINC000602699139 348012072 /nfs/dbraw/zinc/01/20/72/348012072.db2.gz MHAFKPAUAJBSMH-INIZCTEOSA-N 1 1 269.323 3.333 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCSC[C@H]1C1CCC1 ZINC000602698129 348012188 /nfs/dbraw/zinc/01/21/88/348012188.db2.gz YELFEDRDVXPIQW-OCCSQVGLSA-N 1 1 252.427 3.144 20 30 CGEDMO CC(C)(C[N@H+]1CC[C@@](C)(C#N)C1)Oc1ccccc1 ZINC000602718306 348016450 /nfs/dbraw/zinc/01/64/50/348016450.db2.gz MPSYJTRTUBKGCK-INIZCTEOSA-N 1 1 258.365 3.080 20 30 CGEDMO CC[N@@H+](CCOc1ccccc1OC)C[C@@H](C)CCC#N ZINC000602722103 348017216 /nfs/dbraw/zinc/01/72/16/348017216.db2.gz MJVPOGZLXOVBHQ-HNNXBMFYSA-N 1 1 290.407 3.336 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCO[C@H]1C ZINC000602763601 348025741 /nfs/dbraw/zinc/02/57/41/348025741.db2.gz QQWWODXTHJJBGU-WMLDXEAASA-N 1 1 272.392 3.195 20 30 CGEDMO COc1ccc([C@H]2CC[N@@H+](CC3(CC#N)CC3)C2)cc1 ZINC000602769888 348026194 /nfs/dbraw/zinc/02/61/94/348026194.db2.gz KVAFYTUDKGALPB-HNNXBMFYSA-N 1 1 270.376 3.178 20 30 CGEDMO Cc1ccccc1[C@H]1CC[N@@H+](CC2(CC#N)CC2)C1 ZINC000602772546 348026384 /nfs/dbraw/zinc/02/63/84/348026384.db2.gz SPTLCPKAYXZVGD-HNNXBMFYSA-N 1 1 254.377 3.478 20 30 CGEDMO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CC1(CC#N)CC1 ZINC000602780265 348027097 /nfs/dbraw/zinc/02/70/97/348027097.db2.gz GBCGCNZQEYLQSJ-RBZFPXEDSA-N 1 1 290.432 3.111 20 30 CGEDMO C=CCCCCC[N@@H+](C)[C@H](C)c1nc(C(=O)OC)co1 ZINC000602780756 348027271 /nfs/dbraw/zinc/02/72/71/348027271.db2.gz RPHUZFKTMNDJHJ-GFCCVEGCSA-N 1 1 280.368 3.200 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H](C)c1nc(C(=O)OC)co1 ZINC000602780756 348027273 /nfs/dbraw/zinc/02/72/73/348027273.db2.gz RPHUZFKTMNDJHJ-GFCCVEGCSA-N 1 1 280.368 3.200 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)C[C@@H]1CCO[C@H]1C ZINC000602775812 348027297 /nfs/dbraw/zinc/02/72/97/348027297.db2.gz BEZHQCOSSUWLDN-ZFWWWQNUSA-N 1 1 252.402 3.063 20 30 CGEDMO N#CCC1(C[N@H+]2CC[C@](F)(c3ccccc3)C2)CC1 ZINC000602824053 348034076 /nfs/dbraw/zinc/03/40/76/348034076.db2.gz LJQUVVNDAUIBPH-MRXNPFEDSA-N 1 1 258.340 3.251 20 30 CGEDMO N#CCC1(C[N@@H+]2CC[C@](F)(c3ccccc3)C2)CC1 ZINC000602824053 348034078 /nfs/dbraw/zinc/03/40/78/348034078.db2.gz LJQUVVNDAUIBPH-MRXNPFEDSA-N 1 1 258.340 3.251 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000602888861 348040778 /nfs/dbraw/zinc/04/07/78/348040778.db2.gz SZLWSDUTQNJLKI-OAHLLOKOSA-N 1 1 294.402 3.359 20 30 CGEDMO C[N@@H+](CCCCC(=O)OC(C)(C)C)[C@@H]1CCC[C@H]1C#N ZINC000602979476 348050420 /nfs/dbraw/zinc/05/04/20/348050420.db2.gz DSNIDBMOFNERJM-UONOGXRCSA-N 1 1 280.412 3.122 20 30 CGEDMO C[N@H+](CCOC(C)(C)C)Cc1cn2ccccc2c1C#N ZINC000610859976 348407268 /nfs/dbraw/zinc/40/72/68/348407268.db2.gz YLVOAKGFMPFTMR-UHFFFAOYSA-N 1 1 285.391 3.058 20 30 CGEDMO C[N@@H+](CCOC(C)(C)C)Cc1cn2ccccc2c1C#N ZINC000610859976 348407271 /nfs/dbraw/zinc/40/72/71/348407271.db2.gz YLVOAKGFMPFTMR-UHFFFAOYSA-N 1 1 285.391 3.058 20 30 CGEDMO CC1(C)c2ccccc2CC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000611351572 348440916 /nfs/dbraw/zinc/44/09/16/348440916.db2.gz BGSAKBYXCOHJQX-UHFFFAOYSA-N 1 1 277.371 3.247 20 30 CGEDMO C[C@@H]([NH2+]Cc1cn2cccc(F)c2n1)c1cccc(C#N)c1 ZINC000611119240 348423592 /nfs/dbraw/zinc/42/35/92/348423592.db2.gz XXSAOHYQFAZRCZ-GFCCVEGCSA-N 1 1 294.333 3.196 20 30 CGEDMO COCC[N@@H+](Cc1cccc(C#N)c1F)C1CCCC1 ZINC000611371226 348441494 /nfs/dbraw/zinc/44/14/94/348441494.db2.gz LKAMXRWDTLEWDU-UHFFFAOYSA-N 1 1 276.355 3.088 20 30 CGEDMO CC[NH+](CC)CCCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611390015 348444343 /nfs/dbraw/zinc/44/43/43/348444343.db2.gz HSLRNQNBMZOUAS-GOSISDBHSA-N 1 1 285.435 3.257 20 30 CGEDMO C[C@@H](NCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(C#N)c1 ZINC000611438139 348452347 /nfs/dbraw/zinc/45/23/47/348452347.db2.gz VMKXKJOCTYTUMW-OWCLPIDISA-N 1 1 285.435 3.187 20 30 CGEDMO C[C@@H](NCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(C#N)c1 ZINC000611438139 348452350 /nfs/dbraw/zinc/45/23/50/348452350.db2.gz VMKXKJOCTYTUMW-OWCLPIDISA-N 1 1 285.435 3.187 20 30 CGEDMO C[C@H](NCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(C#N)c1 ZINC000611438140 348452508 /nfs/dbraw/zinc/45/25/08/348452508.db2.gz VMKXKJOCTYTUMW-XHSDSOJGSA-N 1 1 285.435 3.187 20 30 CGEDMO C[C@H](NCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(C#N)c1 ZINC000611438140 348452509 /nfs/dbraw/zinc/45/25/09/348452509.db2.gz VMKXKJOCTYTUMW-XHSDSOJGSA-N 1 1 285.435 3.187 20 30 CGEDMO C[C@]1(C#N)CCC[N@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000612162697 348498666 /nfs/dbraw/zinc/49/86/66/348498666.db2.gz QKZNSPHUJCWRCD-QGZVFWFLSA-N 1 1 281.359 3.066 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000612162697 348498669 /nfs/dbraw/zinc/49/86/69/348498669.db2.gz QKZNSPHUJCWRCD-QGZVFWFLSA-N 1 1 281.359 3.066 20 30 CGEDMO C[C@@]1(C#N)CCC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000612406941 348517472 /nfs/dbraw/zinc/51/74/72/348517472.db2.gz XWXUQQHSIBEAJY-KRWDZBQOSA-N 1 1 265.360 3.360 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000612406941 348517473 /nfs/dbraw/zinc/51/74/73/348517473.db2.gz XWXUQQHSIBEAJY-KRWDZBQOSA-N 1 1 265.360 3.360 20 30 CGEDMO CCOc1cc(C[NH2+]CC(C)(C)C#N)cc(Cl)c1OC ZINC000612585427 348530395 /nfs/dbraw/zinc/53/03/95/348530395.db2.gz CMIRLBDKDPULJJ-UHFFFAOYSA-N 1 1 296.798 3.387 20 30 CGEDMO CC[N@H+](CCC#N)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614168913 348654473 /nfs/dbraw/zinc/65/44/73/348654473.db2.gz HBGQRPPVUXNTQE-UHFFFAOYSA-N 1 1 255.365 3.223 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614168913 348654477 /nfs/dbraw/zinc/65/44/77/348654477.db2.gz HBGQRPPVUXNTQE-UHFFFAOYSA-N 1 1 255.365 3.223 20 30 CGEDMO C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C[C@H]1CCC[C@H]1O ZINC000614177453 348654924 /nfs/dbraw/zinc/65/49/24/348654924.db2.gz NPTCMEJRUYQSMF-NVXWUHKLSA-N 1 1 286.419 3.081 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[NH+]1CCC2(CCOC2)CC1 ZINC000614178456 348655375 /nfs/dbraw/zinc/65/53/75/348655375.db2.gz DJHWXUZGNMTFBS-UHFFFAOYSA-N 1 1 290.794 3.214 20 30 CGEDMO C[C@H]1[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CCOC1(C)C ZINC000614174240 348655432 /nfs/dbraw/zinc/65/54/32/348655432.db2.gz HYYMXLWQIKPMNI-CQSZACIVSA-N 1 1 286.419 3.487 20 30 CGEDMO CCCC[N@@H+](CCCO)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614182751 348656064 /nfs/dbraw/zinc/65/60/64/348656064.db2.gz HHAVNPXYYDBJFA-UHFFFAOYSA-N 1 1 288.435 3.472 20 30 CGEDMO CO[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CC[C@@H]1C ZINC000615236137 348725848 /nfs/dbraw/zinc/72/58/48/348725848.db2.gz ZYKKNKDTFDUVMX-YOEHRIQHSA-N 1 1 286.419 3.345 20 30 CGEDMO CO[C@]1(C(F)(F)F)CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000614923482 348700163 /nfs/dbraw/zinc/70/01/63/348700163.db2.gz AVJHNTNPNBJXIQ-CYBMUJFWSA-N 1 1 292.345 3.360 20 30 CGEDMO Cc1ncc([C@H](C)[NH2+]Cc2cccc(C#N)c2F)s1 ZINC000619465893 349253122 /nfs/dbraw/zinc/25/31/22/349253122.db2.gz ATDIGXPDSPBQCO-VIFPVBQESA-N 1 1 275.352 3.313 20 30 CGEDMO CC[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccoc1 ZINC000619620209 349262661 /nfs/dbraw/zinc/26/26/61/349262661.db2.gz UOJXOECXCQLROC-UHFFFAOYSA-N 1 1 276.380 3.202 20 30 CGEDMO C=CCCCCCN(C)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000624614536 350070673 /nfs/dbraw/zinc/07/06/73/350070673.db2.gz UZRZJADETPQIMK-INIZCTEOSA-N 1 1 295.471 3.106 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]3CCCC[C@H]32)C1 ZINC000625699737 350197804 /nfs/dbraw/zinc/19/78/04/350197804.db2.gz GPQNKEDRTANLOJ-BRWVUGGUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CC(=O)Nc2c(C)cc(C)cc2C)C1 ZINC000625700766 350198881 /nfs/dbraw/zinc/19/88/81/350198881.db2.gz LQCPBUAWQZAVEK-INIZCTEOSA-N 1 1 286.419 3.448 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCN(C2CCCCC2)C1=O ZINC000625558239 350184198 /nfs/dbraw/zinc/18/41/98/350184198.db2.gz NVXGPWJPPKSLHU-BBWFWOEESA-N 1 1 288.435 3.103 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cccnc2C(F)(F)F)C1 ZINC000625704343 350201190 /nfs/dbraw/zinc/20/11/90/350201190.db2.gz IEXCETJQRFAUND-NSHDSACASA-N 1 1 270.298 3.498 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000625704555 350201229 /nfs/dbraw/zinc/20/12/29/350201229.db2.gz ONKHFQBMHSHGDL-GFCCVEGCSA-N 1 1 294.345 3.191 20 30 CGEDMO C=CCOc1c(Cl)cc(C[N@H+](C)CC)cc1OC ZINC000628129722 350404645 /nfs/dbraw/zinc/40/46/45/350404645.db2.gz QVWWUBCRWJYRRT-UHFFFAOYSA-N 1 1 269.772 3.365 20 30 CGEDMO C=CCN(CC=C)[C@@H](C[NH2+]Cc1oc(C)nc1C)C(C)C ZINC000628202013 350438423 /nfs/dbraw/zinc/43/84/23/350438423.db2.gz DYDSYKQWORMNRR-INIZCTEOSA-N 1 1 291.439 3.080 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1cc(OCC)c(OC)cc1F ZINC000628234828 350455945 /nfs/dbraw/zinc/45/59/45/350455945.db2.gz OKKYUGNWPNNLRZ-UHFFFAOYSA-N 1 1 267.344 3.241 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cc(OCC)c(OC)cc1F ZINC000628234828 350455948 /nfs/dbraw/zinc/45/59/48/350455948.db2.gz OKKYUGNWPNNLRZ-UHFFFAOYSA-N 1 1 267.344 3.241 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(OC)cc2)C1 ZINC000628404967 350528179 /nfs/dbraw/zinc/52/81/79/350528179.db2.gz AEWWEIYUAAFKTA-AWEZNQCLSA-N 1 1 297.402 3.483 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000628405440 350528904 /nfs/dbraw/zinc/52/89/04/350528904.db2.gz MDJJPEFGHDMRTE-AWEZNQCLSA-N 1 1 285.366 3.409 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(OC)c(OC)c2OC)C1 ZINC000628405752 350529424 /nfs/dbraw/zinc/52/94/24/350529424.db2.gz TUSYIAWXICYDNV-ZDUSSCGKSA-N 1 1 291.391 3.110 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccnn2-c2ccccc2OC)C1 ZINC000628406401 350529844 /nfs/dbraw/zinc/52/98/44/350529844.db2.gz JCOXIPPAPIOENE-OAHLLOKOSA-N 1 1 297.402 3.279 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000628544295 350573283 /nfs/dbraw/zinc/57/32/83/350573283.db2.gz AAVUYEDJUBWNCW-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO Cc1cc(CNc2ccc(C#N)cc2)cc(N2CCCC2)[nH+]1 ZINC000291181658 197944740 /nfs/dbraw/zinc/94/47/40/197944740.db2.gz RXVYGXZZVHOLPJ-UHFFFAOYSA-N 1 1 292.386 3.474 20 30 CGEDMO C=CCCc1ccccc1NC(=O)C[N@H+](C)C1CCC1 ZINC000629989518 350795193 /nfs/dbraw/zinc/79/51/93/350795193.db2.gz ASIUQMNJOCZZHB-UHFFFAOYSA-N 1 1 272.392 3.228 20 30 CGEDMO C=CCOc1ccc(C[NH2+]Cc2conc2C)cc1Cl ZINC000631209261 350992390 /nfs/dbraw/zinc/99/23/90/350992390.db2.gz UCOHWWYJRYASBY-UHFFFAOYSA-N 1 1 292.766 3.491 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCO[C@H](C(F)F)CC2)c1 ZINC000634735687 351581451 /nfs/dbraw/zinc/58/14/51/351581451.db2.gz NNASKACQEVIPOF-HNNXBMFYSA-N 1 1 297.345 3.107 20 30 CGEDMO CC[C@H](C)C[N@@H+](CC)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000157184280 188302195 /nfs/dbraw/zinc/30/21/95/188302195.db2.gz SJDYVITUPYEGGV-NSHDSACASA-N 1 1 291.395 3.075 20 30 CGEDMO C#CC[C@@H]([NH2+]C1CCN(CCC)CC1)c1ccccc1 ZINC000271712128 191287363 /nfs/dbraw/zinc/28/73/63/191287363.db2.gz OOTSHMZBYMVFOQ-GOSISDBHSA-N 1 1 270.420 3.215 20 30 CGEDMO N#CC1(CC[N@H+]2CCC[C@@H]3COCC[C@@H]32)CCCCC1 ZINC000335180041 283045727 /nfs/dbraw/zinc/04/57/27/283045727.db2.gz HZYKSRGPCFWHBI-CVEARBPZSA-N 1 1 276.424 3.351 20 30 CGEDMO COc1ccc(F)cc1C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000271766517 191312630 /nfs/dbraw/zinc/31/26/30/191312630.db2.gz JARJLHORXWRDOY-UHFFFAOYSA-N 1 1 296.345 3.485 20 30 CGEDMO N#C[C@H]1CC[C@@H]([N@@H+]2CCc3cccc(Cl)c3C2)C1 ZINC000335586528 283066795 /nfs/dbraw/zinc/06/67/95/283066795.db2.gz GRQGEXNFROBYKP-WCQYABFASA-N 1 1 260.768 3.390 20 30 CGEDMO C[C@H]1Cc2[nH+]cn(Cc3cc(C#N)ccc3F)c2C[C@@H]1C ZINC000295726180 199637510 /nfs/dbraw/zinc/63/75/10/199637510.db2.gz HJBQLEJRARSXLR-RYUDHWBXSA-N 1 1 283.350 3.313 20 30 CGEDMO CCC[N@H+]1CC[C@H](CN[C@@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000271900034 191398530 /nfs/dbraw/zinc/39/85/30/191398530.db2.gz AFMKHIPPWFFTND-UONOGXRCSA-N 1 1 289.398 3.080 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCCCNc2ncc(C#N)cc2F)C1 ZINC000413069494 235249055 /nfs/dbraw/zinc/24/90/55/235249055.db2.gz YHQQOZSINUNAFZ-CYBMUJFWSA-N 1 1 290.386 3.016 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](CCO)CC1 ZINC000421016190 235787976 /nfs/dbraw/zinc/78/79/76/235787976.db2.gz MFECTXRQWAFBLH-CABCVRRESA-N 1 1 272.392 3.104 20 30 CGEDMO C[NH+](C)Cc1cccc(CNCc2ccc(C#N)c(F)c2)c1 ZINC000421340612 235801984 /nfs/dbraw/zinc/80/19/84/235801984.db2.gz JOLJGHIYVWTVFT-UHFFFAOYSA-N 1 1 297.377 3.049 20 30 CGEDMO CCCO[C@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)CC1 ZINC000108395841 138360363 /nfs/dbraw/zinc/36/03/63/138360363.db2.gz UFLPQUFLBTZOFN-KRWDZBQOSA-N 1 1 290.382 3.478 20 30 CGEDMO CCCO[C@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)CC1 ZINC000108395841 138360365 /nfs/dbraw/zinc/36/03/65/138360365.db2.gz UFLPQUFLBTZOFN-KRWDZBQOSA-N 1 1 290.382 3.478 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000336232902 213062611 /nfs/dbraw/zinc/06/26/11/213062611.db2.gz GYQRNNPARAVHPN-BXUZGUMPSA-N 1 1 298.308 3.008 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000336232902 213062614 /nfs/dbraw/zinc/06/26/14/213062614.db2.gz GYQRNNPARAVHPN-BXUZGUMPSA-N 1 1 298.308 3.008 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCCC[C@@H]1CCO ZINC000342031952 216194233 /nfs/dbraw/zinc/19/42/33/216194233.db2.gz LQMNAPWQUCCQHG-MRXNPFEDSA-N 1 1 292.810 3.339 20 30 CGEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2ccc(Cl)nc2)CC1 ZINC000179122803 189171275 /nfs/dbraw/zinc/17/12/75/189171275.db2.gz YPEHXNLYMNTBEX-CYBMUJFWSA-N 1 1 293.842 3.426 20 30 CGEDMO C=C(C)C[NH+]1CCC(N[C@@H](C)c2ccc(Cl)nc2)CC1 ZINC000179122791 189171328 /nfs/dbraw/zinc/17/13/28/189171328.db2.gz YPEHXNLYMNTBEX-ZDUSSCGKSA-N 1 1 293.842 3.426 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@@H](CO)c2ccsc2)c(Cl)c1 ZINC000439436699 238255633 /nfs/dbraw/zinc/25/56/33/238255633.db2.gz HZESIMDWSQHDJD-AWEZNQCLSA-N 1 1 292.791 3.096 20 30 CGEDMO Cc1cc(C[N@@H+](C)Cc2cnc(C(C)C)nc2)ccc1C#N ZINC000440465706 238306459 /nfs/dbraw/zinc/30/64/59/238306459.db2.gz JNZRTAICRJYXQS-UHFFFAOYSA-N 1 1 294.402 3.412 20 30 CGEDMO Cc1cc(C[N@H+](C)Cc2cnc(C(C)C)nc2)ccc1C#N ZINC000440465706 238306463 /nfs/dbraw/zinc/30/64/63/238306463.db2.gz JNZRTAICRJYXQS-UHFFFAOYSA-N 1 1 294.402 3.412 20 30 CGEDMO CC[C@H](CN[C@@H](C)c1cccc(C#N)c1)[NH+]1CCCC1 ZINC000181477150 189297727 /nfs/dbraw/zinc/29/77/27/189297727.db2.gz XJZFWVLKENKGHE-WMLDXEAASA-N 1 1 271.408 3.083 20 30 CGEDMO COc1cccc2c1CC[N@@H+](Cc1ccc(C#N)cc1)C2 ZINC000182662761 189330149 /nfs/dbraw/zinc/33/01/49/189330149.db2.gz LVWNPHVSYLYHEL-UHFFFAOYSA-N 1 1 278.355 3.125 20 30 CGEDMO CC(C)C[N@H+]1CC[C@@H](CNc2c(F)cc(C#N)cc2F)C1 ZINC000301621968 201102375 /nfs/dbraw/zinc/10/23/75/201102375.db2.gz YGOUZBIPFHUFLU-LBPRGKRZSA-N 1 1 293.361 3.226 20 30 CGEDMO C=CCOc1cccc(C[N@H+](CC)C[C@@H](C)C#N)c1 ZINC000120487811 370772698 /nfs/dbraw/zinc/77/26/98/370772698.db2.gz IQGGFSXLRNIRNL-AWEZNQCLSA-N 1 1 258.365 3.233 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](CC)C[C@@H](C)C#N)c1 ZINC000120487811 370772705 /nfs/dbraw/zinc/77/27/05/370772705.db2.gz IQGGFSXLRNIRNL-AWEZNQCLSA-N 1 1 258.365 3.233 20 30 CGEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](CCC3=CCCCC3)C2)nc1 ZINC000451053970 240204193 /nfs/dbraw/zinc/20/41/93/240204193.db2.gz GQWKOJGPCNKXMB-QGZVFWFLSA-N 1 1 297.402 3.297 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451416487 240296356 /nfs/dbraw/zinc/29/63/56/240296356.db2.gz GOBFBFQXKOXWGP-RNJTYBCJSA-N 1 1 284.403 3.245 20 30 CGEDMO CCn1cc([C@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)cn1 ZINC000451888442 240375839 /nfs/dbraw/zinc/37/58/39/240375839.db2.gz JCUFTIFFNHCBNF-NSHDSACASA-N 1 1 288.782 3.279 20 30 CGEDMO C=CC[C@H](C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000275363505 193010787 /nfs/dbraw/zinc/01/07/87/193010787.db2.gz TZWFTDFOTUFOPY-QAPCUYQASA-N 1 1 298.430 3.113 20 30 CGEDMO CC(C)C[N@@H+]1CCC[C@@H](CNCc2cccc(C#N)c2)C1 ZINC000120768697 370799187 /nfs/dbraw/zinc/79/91/87/370799187.db2.gz FABJAYXVUDUFGW-SFHVURJKSA-N 1 1 285.435 3.016 20 30 CGEDMO CC(C)C[N@H+]1CCC[C@@H](CNCc2cccc(C#N)c2)C1 ZINC000120768697 370799190 /nfs/dbraw/zinc/79/91/90/370799190.db2.gz FABJAYXVUDUFGW-SFHVURJKSA-N 1 1 285.435 3.016 20 30 CGEDMO CC(C)([NH2+]Cc1ccc(F)c(C#N)c1)c1nccs1 ZINC000121156172 370835492 /nfs/dbraw/zinc/83/54/92/370835492.db2.gz PFFCAVKBTIIYJF-UHFFFAOYSA-N 1 1 275.352 3.179 20 30 CGEDMO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]1CCCC(C)(C)C#N ZINC000125471282 370937189 /nfs/dbraw/zinc/93/71/89/370937189.db2.gz FNTWOJZFFDCNIE-CYBMUJFWSA-N 1 1 280.412 3.122 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000126283302 370944225 /nfs/dbraw/zinc/94/42/25/370944225.db2.gz ONVDJTKDWAHIKF-MRXNPFEDSA-N 1 1 277.408 3.071 20 30 CGEDMO C[N@@H+](CCOc1cccc(C#N)c1)Cc1cccc(F)c1 ZINC000034674373 368976663 /nfs/dbraw/zinc/97/66/63/368976663.db2.gz HOFLEWXPNBZTFC-UHFFFAOYSA-N 1 1 284.334 3.208 20 30 CGEDMO COc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000042267110 369209279 /nfs/dbraw/zinc/20/92/79/369209279.db2.gz ZVJUGGGQFAHQKN-UHFFFAOYSA-N 1 1 266.344 3.199 20 30 CGEDMO N#Cc1ccc([C@H](O)C[N@@H+](Cc2cccs2)C2CC2)cc1 ZINC000049024118 369382792 /nfs/dbraw/zinc/38/27/92/369382792.db2.gz AYVKTHHQTDBXHC-QGZVFWFLSA-N 1 1 298.411 3.318 20 30 CGEDMO CC[N@H+](Cc1ccncc1)Cc1ccc(C#N)cc1F ZINC000049024097 369382832 /nfs/dbraw/zinc/38/28/32/369382832.db2.gz JEJRWRCVHSMCKS-UHFFFAOYSA-N 1 1 269.323 3.114 20 30 CGEDMO CC[N@@H+](Cc1ccncc1)Cc1ccc(C#N)cc1F ZINC000049024097 369382836 /nfs/dbraw/zinc/38/28/36/369382836.db2.gz JEJRWRCVHSMCKS-UHFFFAOYSA-N 1 1 269.323 3.114 20 30 CGEDMO CC1CCC([N@@H+](C)CCOc2cccc(C#N)c2)CC1 ZINC000048334904 369342896 /nfs/dbraw/zinc/34/28/96/369342896.db2.gz AMJFDFALARDEOM-UHFFFAOYSA-N 1 1 272.392 3.448 20 30 CGEDMO O=C(C[N@H+]1CCC[C@H]1C1CCCCC1)Nc1nncs1 ZINC000048580463 369360586 /nfs/dbraw/zinc/36/05/86/369360586.db2.gz ULXSKYXLDMFJLU-LBPRGKRZSA-N 1 1 294.424 3.171 20 30 CGEDMO N#CCCC[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000050963939 369445110 /nfs/dbraw/zinc/44/51/10/369445110.db2.gz MJSAORDMZLWFKP-MRXNPFEDSA-N 1 1 276.355 3.110 20 30 CGEDMO C=CC[N@H+](CCc1ccnn1CC)Cc1ccccc1 ZINC000276265966 193263812 /nfs/dbraw/zinc/26/38/12/193263812.db2.gz BWOWYEKKXRGIHQ-UHFFFAOYSA-N 1 1 269.392 3.134 20 30 CGEDMO C=CC[N@H+](CCOC(C)(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000063287161 369644350 /nfs/dbraw/zinc/64/43/50/369644350.db2.gz UUQGFZFYACCXQN-UHFFFAOYSA-N 1 1 292.379 3.398 20 30 CGEDMO CC(C)OCC[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000063750911 369648550 /nfs/dbraw/zinc/64/85/50/369648550.db2.gz OCSQRCKPESQPRT-UHFFFAOYSA-N 1 1 260.381 3.194 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cccc(OC)c1)C[C@@H]1CCCO1 ZINC000064400328 369653720 /nfs/dbraw/zinc/65/37/20/369653720.db2.gz WOEYLNZXKNVZDT-KRWDZBQOSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CCC[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1ccco1 ZINC000276466357 193342914 /nfs/dbraw/zinc/34/29/14/193342914.db2.gz OWZCCAZCXFLWEI-ZDUSSCGKSA-N 1 1 299.436 3.090 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1cc(C)no1 ZINC000065959639 369687210 /nfs/dbraw/zinc/68/72/10/369687210.db2.gz PFLWDUWLFLCYKD-UHFFFAOYSA-N 1 1 256.349 3.214 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000276517273 193365226 /nfs/dbraw/zinc/36/52/26/193365226.db2.gz YIUNKIUYRGZUHX-LBPRGKRZSA-N 1 1 257.337 3.306 20 30 CGEDMO CC[C@@H](C)C[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075720951 369917680 /nfs/dbraw/zinc/91/76/80/369917680.db2.gz YBWVZEWTCYGHIV-GFCCVEGCSA-N 1 1 284.363 3.086 20 30 CGEDMO C=CCCC[N@@H+](C)Cc1noc(-c2ccc(OC)cc2)n1 ZINC000076733786 369942152 /nfs/dbraw/zinc/94/21/52/369942152.db2.gz AAFOCHRRFZRPDI-UHFFFAOYSA-N 1 1 287.363 3.143 20 30 CGEDMO C=CCCC[N@H+](C)Cc1noc(-c2ccc(OC)cc2)n1 ZINC000076733786 369942156 /nfs/dbraw/zinc/94/21/56/369942156.db2.gz AAFOCHRRFZRPDI-UHFFFAOYSA-N 1 1 287.363 3.143 20 30 CGEDMO CN(CC[N@@H+](C)CC(C)(C)CCC#N)c1ccccc1 ZINC000093273884 370113943 /nfs/dbraw/zinc/11/39/43/370113943.db2.gz WFUUINLBPXLOFY-UHFFFAOYSA-N 1 1 273.424 3.385 20 30 CGEDMO N#Cc1ccc(C[N@@H+](CCC(F)(F)F)CC2CC2)o1 ZINC000091901762 370080058 /nfs/dbraw/zinc/08/00/58/370080058.db2.gz RTDLCODSNFQUND-UHFFFAOYSA-N 1 1 272.270 3.316 20 30 CGEDMO CC[N@@H+](Cc1c[nH]nc1-c1cccc(C)c1)C[C@H](C)C#N ZINC000091983196 370085340 /nfs/dbraw/zinc/08/53/40/370085340.db2.gz HGJXZPDCXLTKCV-CQSZACIVSA-N 1 1 282.391 3.367 20 30 CGEDMO CC[N@H+](Cc1c[nH]nc1-c1cccc(C)c1)C[C@H](C)C#N ZINC000091983196 370085345 /nfs/dbraw/zinc/08/53/45/370085345.db2.gz HGJXZPDCXLTKCV-CQSZACIVSA-N 1 1 282.391 3.367 20 30 CGEDMO CC(C)CC[C@H]1CCCC[N@H+]1CCC(=O)N(C)CCC#N ZINC000092805900 370102046 /nfs/dbraw/zinc/10/20/46/370102046.db2.gz VQBSCFLFKDJROS-MRXNPFEDSA-N 1 1 293.455 3.039 20 30 CGEDMO CCS[C@@H]1CCCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000093361765 370120573 /nfs/dbraw/zinc/12/05/73/370120573.db2.gz PGCNICBDULCUSL-CQSZACIVSA-N 1 1 264.394 3.259 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)Cc1ccc(C)cc1 ZINC000097056828 370220874 /nfs/dbraw/zinc/22/08/74/370220874.db2.gz YSMUUBHHJDARDQ-INIZCTEOSA-N 1 1 288.435 3.240 20 30 CGEDMO C#CC[N@H+](CCCCOC)[C@@H]1CCc2ccccc21 ZINC000114207311 370494768 /nfs/dbraw/zinc/49/47/68/370494768.db2.gz MRVYERXQDSTEOC-QGZVFWFLSA-N 1 1 257.377 3.036 20 30 CGEDMO N#Cc1ccc(C[N@H+](Cc2cccs2)C2CC2)o1 ZINC000130245595 371020226 /nfs/dbraw/zinc/02/02/26/371020226.db2.gz NKVTZIQVEIITQM-UHFFFAOYSA-N 1 1 258.346 3.377 20 30 CGEDMO N#Cc1ccc(C[N@@H+](Cc2cccs2)C2CC2)o1 ZINC000130245595 371020231 /nfs/dbraw/zinc/02/02/31/371020231.db2.gz NKVTZIQVEIITQM-UHFFFAOYSA-N 1 1 258.346 3.377 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](C)CC1CCCC1 ZINC000130465752 371036730 /nfs/dbraw/zinc/03/67/30/371036730.db2.gz YJUWGKSNDTWBDL-UHFFFAOYSA-N 1 1 258.365 3.189 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCCN(c3ccccc3)CC2)c1 ZINC000130788446 371058287 /nfs/dbraw/zinc/05/82/87/371058287.db2.gz YOLWMDIGBIQLEF-UHFFFAOYSA-N 1 1 297.427 3.332 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCN(c3ccccc3)CC2)s1 ZINC000130779238 371058722 /nfs/dbraw/zinc/05/87/22/371058722.db2.gz KHIUORPYGDJXRM-UHFFFAOYSA-N 1 1 297.427 3.332 20 30 CGEDMO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C)no2)cc1C#N ZINC000331762176 204134610 /nfs/dbraw/zinc/13/46/10/204134610.db2.gz AECFMHGTKYOOKF-OAHLLOKOSA-N 1 1 297.358 3.200 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@@H]2c2cc(C)no2)cc1C#N ZINC000331762176 204134615 /nfs/dbraw/zinc/13/46/15/204134615.db2.gz AECFMHGTKYOOKF-OAHLLOKOSA-N 1 1 297.358 3.200 20 30 CGEDMO N#Cc1cccc(OCCC[N@H+]2CCc3ccsc3C2)c1 ZINC000132926121 371212252 /nfs/dbraw/zinc/21/22/52/371212252.db2.gz GKRHNXFDLKLKCF-UHFFFAOYSA-N 1 1 298.411 3.447 20 30 CGEDMO N#CCCCC[N@H+](CCCO)Cc1cccc(Cl)c1 ZINC000134288357 371319013 /nfs/dbraw/zinc/31/90/13/371319013.db2.gz VUVXBIBKYWTTJN-UHFFFAOYSA-N 1 1 280.799 3.218 20 30 CGEDMO N#CCCCC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000134792561 371365751 /nfs/dbraw/zinc/36/57/51/371365751.db2.gz QFLRYCBOMRYIFC-IAGOWNOFSA-N 1 1 290.382 3.407 20 30 CGEDMO COC[C@@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135226719 371403274 /nfs/dbraw/zinc/40/32/74/371403274.db2.gz LFFVOYOYTDABSP-OAHLLOKOSA-N 1 1 286.419 3.346 20 30 CGEDMO CSC[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000135440236 371427516 /nfs/dbraw/zinc/42/75/16/371427516.db2.gz HPTWJNFJZGADEB-ZDUSSCGKSA-N 1 1 264.369 3.025 20 30 CGEDMO Cc1ccc(C#N)c(N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000286528775 371513265 /nfs/dbraw/zinc/51/32/65/371513265.db2.gz CIPXZOFJFXIKSY-ZBFHGGJFSA-N 1 1 298.434 3.327 20 30 CGEDMO C=CCC[C@H](Nc1cc(CCOC)cc[nH+]1)C1CC1 ZINC000287629291 371685495 /nfs/dbraw/zinc/68/54/95/371685495.db2.gz UCFLLPDGYBVAOE-HNNXBMFYSA-N 1 1 260.381 3.427 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000288725761 371743372 /nfs/dbraw/zinc/74/33/72/371743372.db2.gz GDNPLUBJZXMATB-QGZVFWFLSA-N 1 1 277.383 3.019 20 30 CGEDMO C[C@@H](c1ccccn1)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344111187 217053894 /nfs/dbraw/zinc/05/38/94/217053894.db2.gz JOIDQTMQJGDMCA-HNNXBMFYSA-N 1 1 295.386 3.163 20 30 CGEDMO CC#CCC[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000155137586 371907463 /nfs/dbraw/zinc/90/74/63/371907463.db2.gz TVKKISNIAHLTKM-HNNXBMFYSA-N 1 1 263.768 3.127 20 30 CGEDMO CC#CCC[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000155137586 371907472 /nfs/dbraw/zinc/90/74/72/371907472.db2.gz TVKKISNIAHLTKM-HNNXBMFYSA-N 1 1 263.768 3.127 20 30 CGEDMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000290194275 371929794 /nfs/dbraw/zinc/92/97/94/371929794.db2.gz PAMQPIJBHHQKGD-GOSISDBHSA-N 1 1 297.402 3.488 20 30 CGEDMO CCCCCCCC[N@H+]1CCC[C@H]1c1nncn1C ZINC000156664370 371990176 /nfs/dbraw/zinc/99/01/76/371990176.db2.gz YYUTYTVSQIVUDB-AWEZNQCLSA-N 1 1 264.417 3.313 20 30 CGEDMO CC#CCC[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000156764915 371993452 /nfs/dbraw/zinc/99/34/52/371993452.db2.gz FWRLWXAZELXHFG-UHFFFAOYSA-N 1 1 290.382 3.278 20 30 CGEDMO CC#CCC[N@@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000155958153 371955061 /nfs/dbraw/zinc/95/50/61/371955061.db2.gz UXAWZAHOBMZQOB-SFHVURJKSA-N 1 1 271.404 3.162 20 30 CGEDMO C[C@H]([NH2+][C@@H](CN)C1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000423265124 372043698 /nfs/dbraw/zinc/04/36/98/372043698.db2.gz QRVLVVITVQFYIR-SJCJKPOMSA-N 1 1 289.398 3.256 20 30 CGEDMO CC[C@]1(C)CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000344219369 217105298 /nfs/dbraw/zinc/10/52/98/217105298.db2.gz MPTHHFKCTPPWIY-QGZVFWFLSA-N 1 1 285.391 3.009 20 30 CGEDMO CC[C@]1(C)CC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000344211592 217099996 /nfs/dbraw/zinc/09/99/96/217099996.db2.gz CHFSPWWZIPHATC-MRXNPFEDSA-N 1 1 258.365 3.059 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000159012990 372098761 /nfs/dbraw/zinc/09/87/61/372098761.db2.gz UEASPSFCECAXMD-UHFFFAOYSA-N 1 1 285.391 3.483 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cnc2cc(C)ccn12 ZINC000426571109 372164871 /nfs/dbraw/zinc/16/48/71/372164871.db2.gz RRAAYCQGJBCIHR-CQSZACIVSA-N 1 1 255.365 3.183 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cccc(Br)n1 ZINC000292116523 372181876 /nfs/dbraw/zinc/18/18/76/372181876.db2.gz DULKPNMANPIVMN-UHFFFAOYSA-N 1 1 269.186 3.242 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc(Cl)cc1C#N)[C@@H]1CCOC1 ZINC000291814557 372176044 /nfs/dbraw/zinc/17/60/44/372176044.db2.gz NOXUSMNADDOTIG-OAHLLOKOSA-N 1 1 278.783 3.211 20 30 CGEDMO C#CC[N@H+](Cc1ccccn1)[C@H]1CCc2ccccc21 ZINC000159267187 372124850 /nfs/dbraw/zinc/12/48/50/372124850.db2.gz RKLDMUIAESMQOO-SFHVURJKSA-N 1 1 262.356 3.204 20 30 CGEDMO C#CC[N@@H+](Cc1ccccn1)[C@H]1CCc2ccccc21 ZINC000159267187 372124860 /nfs/dbraw/zinc/12/48/60/372124860.db2.gz RKLDMUIAESMQOO-SFHVURJKSA-N 1 1 262.356 3.204 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](C1CC1)C1CCCC1 ZINC000160084577 372210834 /nfs/dbraw/zinc/21/08/34/372210834.db2.gz TZYKJJAMVITPMA-UHFFFAOYSA-N 1 1 270.376 3.474 20 30 CGEDMO CSC[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000292516768 372194015 /nfs/dbraw/zinc/19/40/15/372194015.db2.gz WANAGTPNHVWWIG-HNNXBMFYSA-N 1 1 277.408 3.252 20 30 CGEDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428982552 372296173 /nfs/dbraw/zinc/29/61/73/372296173.db2.gz SVAFJLOQHMFTOJ-UKRRQHHQSA-N 1 1 290.382 3.213 20 30 CGEDMO C=CCOCC[N@H+](C)[C@H](C)c1sc(CC)nc1C ZINC000292916201 372247837 /nfs/dbraw/zinc/24/78/37/372247837.db2.gz XNZPNJRCCMTAPE-GFCCVEGCSA-N 1 1 268.426 3.209 20 30 CGEDMO CC[C@H](C)C[N@@H+](CC)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000160528826 372256504 /nfs/dbraw/zinc/25/65/04/372256504.db2.gz JDLQGYHNDLKJGP-WMLDXEAASA-N 1 1 299.418 3.032 20 30 CGEDMO N#Cc1c(F)cccc1C[N@@H+](CC1CC1)C1CCC1 ZINC000428943228 372287611 /nfs/dbraw/zinc/28/76/11/372287611.db2.gz DVOFLIFOYHYUMW-UHFFFAOYSA-N 1 1 258.340 3.462 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000429023132 372305731 /nfs/dbraw/zinc/30/57/31/372305731.db2.gz VAEUKDLGOMIOBL-LUKYLMHMSA-N 1 1 264.457 3.393 20 30 CGEDMO C[C@H]1C[N@H+](CC#Cc2ccccc2)Cc2ccccc2O1 ZINC000429141401 372317215 /nfs/dbraw/zinc/31/72/15/372317215.db2.gz LAEVRLMTRPPXGY-INIZCTEOSA-N 1 1 277.367 3.321 20 30 CGEDMO C[C@H]1C[N@@H+](CC#Cc2ccccc2)Cc2ccccc2O1 ZINC000429141401 372317224 /nfs/dbraw/zinc/31/72/24/372317224.db2.gz LAEVRLMTRPPXGY-INIZCTEOSA-N 1 1 277.367 3.321 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)[C@H](C)c1c(F)cccc1F ZINC000429710312 372378074 /nfs/dbraw/zinc/37/80/74/372378074.db2.gz VOLNLEMOOJWZKL-CYBMUJFWSA-N 1 1 282.378 3.466 20 30 CGEDMO C[C@@H](C[N@@H+](C)Cc1cccc(C#N)c1F)c1nccs1 ZINC000344354522 217163960 /nfs/dbraw/zinc/16/39/60/217163960.db2.gz DZLVTJDDMAZTNP-NSHDSACASA-N 1 1 289.379 3.389 20 30 CGEDMO Cc1ccc([C@H]2C[C@H](C)[N@H+](CCOCCC#N)C2)cc1 ZINC000294171827 372601968 /nfs/dbraw/zinc/60/19/68/372601968.db2.gz PYQWKUCNSAMXSZ-RDJZCZTQSA-N 1 1 272.392 3.103 20 30 CGEDMO C=CCCCCC[NH2+][C@@](C)(c1noc(C)n1)C1CC1 ZINC000433302164 372585555 /nfs/dbraw/zinc/58/55/55/372585555.db2.gz HMUWTAKDUSLUAI-OAHLLOKOSA-N 1 1 263.385 3.339 20 30 CGEDMO CC(C)(C)c1ncc(C[NH2+]CC(C)(C)C#N)s1 ZINC000168936248 372623709 /nfs/dbraw/zinc/62/37/09/372623709.db2.gz MWTOVPISHVWUAI-UHFFFAOYSA-N 1 1 251.399 3.080 20 30 CGEDMO C[C@@H](O)C[N@@H+](Cc1ccc(C#N)cc1F)C1CCCCC1 ZINC000170691163 372650297 /nfs/dbraw/zinc/65/02/97/372650297.db2.gz NXRDPZFHTAFSQT-CYBMUJFWSA-N 1 1 290.382 3.213 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000434898074 372716785 /nfs/dbraw/zinc/71/67/85/372716785.db2.gz AXLRFYZQGFOFNU-FUHWJXTLSA-N 1 1 298.430 3.065 20 30 CGEDMO CC[C@H](CN[C@@H]1CCc2ccc(C#N)cc21)[NH+]1CCCC1 ZINC000353412207 220068511 /nfs/dbraw/zinc/06/85/11/220068511.db2.gz LDWFUKQBIXYMJC-SJLPKXTDSA-N 1 1 283.419 3.010 20 30 CGEDMO C[N@@H+](CCCC(=O)OC(C)(C)C)Cc1cc(C#N)cs1 ZINC000353432966 220079899 /nfs/dbraw/zinc/07/98/99/220079899.db2.gz DXXBRDVUOHPCAD-UHFFFAOYSA-N 1 1 294.420 3.173 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@@H](C(C)C)C2)cc1C#N ZINC000438326671 372926507 /nfs/dbraw/zinc/92/65/07/372926507.db2.gz JOWXAMCNKXAJTQ-OAHLLOKOSA-N 1 1 272.392 3.435 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H](F)CC ZINC000440714446 372993573 /nfs/dbraw/zinc/99/35/73/372993573.db2.gz PDMBQBGFMCUHRR-CQSZACIVSA-N 1 1 251.345 3.431 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@H](F)CC ZINC000440714446 372993582 /nfs/dbraw/zinc/99/35/82/372993582.db2.gz PDMBQBGFMCUHRR-CQSZACIVSA-N 1 1 251.345 3.431 20 30 CGEDMO CC1(C)C[N@H+](CC#Cc2ccccc2)[C@@H]2CCC[C@H]2O1 ZINC000440949558 372994677 /nfs/dbraw/zinc/99/46/77/372994677.db2.gz KIIOWTWJEAFZCE-IAGOWNOFSA-N 1 1 269.388 3.070 20 30 CGEDMO CC1(C)C[N@@H+](CC#Cc2ccccc2)[C@@H]2CCC[C@H]2O1 ZINC000440949558 372994689 /nfs/dbraw/zinc/99/46/89/372994689.db2.gz KIIOWTWJEAFZCE-IAGOWNOFSA-N 1 1 269.388 3.070 20 30 CGEDMO C=CC[N@@H+]1CCN(Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000441176505 372998322 /nfs/dbraw/zinc/99/83/22/372998322.db2.gz MCHSPNDDQXFLRI-MAUKXSAKSA-N 1 1 287.451 3.108 20 30 CGEDMO CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(C#N)cc1 ZINC000296279099 373078083 /nfs/dbraw/zinc/07/80/83/373078083.db2.gz DYQMIULQRQEYQF-FBVQUNGASA-N 1 1 283.419 3.224 20 30 CGEDMO CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc(C#N)cc1 ZINC000296279099 373078091 /nfs/dbraw/zinc/07/80/91/373078091.db2.gz DYQMIULQRQEYQF-FBVQUNGASA-N 1 1 283.419 3.224 20 30 CGEDMO CC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(C#N)cc1 ZINC000296279099 373078098 /nfs/dbraw/zinc/07/80/98/373078098.db2.gz DYQMIULQRQEYQF-FBVQUNGASA-N 1 1 283.419 3.224 20 30 CGEDMO CC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(C#N)cc1 ZINC000296279099 373078104 /nfs/dbraw/zinc/07/81/04/373078104.db2.gz DYQMIULQRQEYQF-FBVQUNGASA-N 1 1 283.419 3.224 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)cc1 ZINC000443794385 373162289 /nfs/dbraw/zinc/16/22/89/373162289.db2.gz ZNNDMJFVURKXQO-HDMKZQKVSA-N 1 1 289.419 3.233 20 30 CGEDMO Cc1cc(CNC[C@@H](C)[N@@H+]2CCCC[C@H]2C)ccc1C#N ZINC000443974777 373163753 /nfs/dbraw/zinc/16/37/53/373163753.db2.gz WFQKOZFTUBNSAI-HZPDHXFCSA-N 1 1 285.435 3.219 20 30 CGEDMO Cc1cc(CNC[C@@H](C)[N@H+]2CCCC[C@H]2C)ccc1C#N ZINC000443974777 373163760 /nfs/dbraw/zinc/16/37/60/373163760.db2.gz WFQKOZFTUBNSAI-HZPDHXFCSA-N 1 1 285.435 3.219 20 30 CGEDMO Cc1cc(CNC[C@@H]2CCC[N@@H+](C(C)C)C2)ccc1C#N ZINC000443978224 373164003 /nfs/dbraw/zinc/16/40/03/373164003.db2.gz KUNNFORNBDROFJ-KRWDZBQOSA-N 1 1 285.435 3.077 20 30 CGEDMO Cc1cc(CNC[C@@H]2CCC[N@H+](C(C)C)C2)ccc1C#N ZINC000443978224 373164014 /nfs/dbraw/zinc/16/40/14/373164014.db2.gz KUNNFORNBDROFJ-KRWDZBQOSA-N 1 1 285.435 3.077 20 30 CGEDMO CCc1ccc([C@H](CNCc2ccc(C#N)o2)[NH+](C)C)cc1 ZINC000174238054 373272779 /nfs/dbraw/zinc/27/27/79/373272779.db2.gz WOWJVUKDASAQIG-SFHVURJKSA-N 1 1 297.402 3.106 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2cnn(C)c2C)CCCC1(C)C ZINC000444795117 373276815 /nfs/dbraw/zinc/27/68/15/373276815.db2.gz XCDPLWRSTBARLI-OAHLLOKOSA-N 1 1 261.413 3.295 20 30 CGEDMO C=CC[N@@H+](C)CCOc1cc(F)cc(Br)c1 ZINC000445999030 373317459 /nfs/dbraw/zinc/31/74/59/373317459.db2.gz QKQAAEXXDMWPFX-UHFFFAOYSA-N 1 1 288.160 3.085 20 30 CGEDMO CC(C)([NH2+]Cc1ccc(C#N)o1)c1ccc(F)c(F)c1 ZINC000175987818 373545441 /nfs/dbraw/zinc/54/54/41/373545441.db2.gz AUTXRNGAJBSAOX-UHFFFAOYSA-N 1 1 276.286 3.454 20 30 CGEDMO C[N@H+](CC#Cc1ccc(F)cc1)CCOc1ccccc1 ZINC000448448971 373577653 /nfs/dbraw/zinc/57/76/53/373577653.db2.gz TWUGRMDDLOGAIL-UHFFFAOYSA-N 1 1 283.346 3.188 20 30 CGEDMO C=CCC1(C(=O)NCCC[N@H+](C)C(C)C)CCCCC1 ZINC000448692207 373635092 /nfs/dbraw/zinc/63/50/92/373635092.db2.gz ULZISSGHYIINPK-UHFFFAOYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000300257952 373621317 /nfs/dbraw/zinc/62/13/17/373621317.db2.gz RFJFSDWBPOXJRQ-ARFHVFGLSA-N 1 1 251.414 3.358 20 30 CGEDMO CC[C@H]1CCCC[N@H+]1CCNc1ccc(C#N)cc1 ZINC000301243128 373708803 /nfs/dbraw/zinc/70/88/03/373708803.db2.gz GSOPPXBDAXDFMG-INIZCTEOSA-N 1 1 257.381 3.235 20 30 CGEDMO N#CCCCOc1cccc(C[N@H+]2CC[C@@H]2C2CC2)c1 ZINC000449424779 373697922 /nfs/dbraw/zinc/69/79/22/373697922.db2.gz FYXCBLLUYYTCRC-QGZVFWFLSA-N 1 1 270.376 3.353 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H]2C2CC2)cc1OC ZINC000449426030 373699340 /nfs/dbraw/zinc/69/93/40/373699340.db2.gz OMYJJYUIPCNPKQ-OAHLLOKOSA-N 1 1 273.376 3.244 20 30 CGEDMO CC[C@@H]1CCCC[N@H+]1CCNc1ccc(Cl)c(C#N)n1 ZINC000301269259 373720908 /nfs/dbraw/zinc/72/09/08/373720908.db2.gz NBJRMGBDXFEDIN-GFCCVEGCSA-N 1 1 292.814 3.283 20 30 CGEDMO Cc1cc(C[N@H+]2CCSC[C@H]2C2CC2)ccc1C#N ZINC000449527416 373825605 /nfs/dbraw/zinc/82/56/05/373825605.db2.gz IDBGUKUVHGYRKV-INIZCTEOSA-N 1 1 272.417 3.194 20 30 CGEDMO C[C@H](c1nc2ccccc2o1)[NH+]1CCC(C#N)CC1 ZINC000181040395 374071903 /nfs/dbraw/zinc/07/19/03/374071903.db2.gz OXEQMXPREFTUCL-LLVKDONJSA-N 1 1 255.321 3.124 20 30 CGEDMO C[C@H]1[C@@H](Nc2cccc(Cl)c2C#N)CCC[N@H+]1C ZINC000450434190 374127794 /nfs/dbraw/zinc/12/77/94/374127794.db2.gz GCEYGPGGFPNIPW-GWCFXTLKSA-N 1 1 263.772 3.106 20 30 CGEDMO CC#CC[N@H+]1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000181150434 374087261 /nfs/dbraw/zinc/08/72/61/374087261.db2.gz IXIADAIYLRSFQH-AWEZNQCLSA-N 1 1 267.376 3.074 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000181150434 374087265 /nfs/dbraw/zinc/08/72/65/374087265.db2.gz IXIADAIYLRSFQH-AWEZNQCLSA-N 1 1 267.376 3.074 20 30 CGEDMO CC#CC[N@H+]1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000181150434 374087268 /nfs/dbraw/zinc/08/72/68/374087268.db2.gz IXIADAIYLRSFQH-AWEZNQCLSA-N 1 1 267.376 3.074 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000181522948 374135374 /nfs/dbraw/zinc/13/53/74/374135374.db2.gz QHFOPXBCSPFNTP-QGZVFWFLSA-N 1 1 286.419 3.260 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCc1cscn1 ZINC000450455735 374142584 /nfs/dbraw/zinc/14/25/84/374142584.db2.gz VTIPPWDFEKTWNV-IRXDYDNUSA-N 1 1 297.427 3.457 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCc1cscn1 ZINC000450455735 374142589 /nfs/dbraw/zinc/14/25/89/374142589.db2.gz VTIPPWDFEKTWNV-IRXDYDNUSA-N 1 1 297.427 3.457 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CCC1)c1cnn(Cc2ccccc2)c1 ZINC000450737845 374175068 /nfs/dbraw/zinc/17/50/68/374175068.db2.gz KYHPCSIITZOXBB-HNNXBMFYSA-N 1 1 294.402 3.276 20 30 CGEDMO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2Cl)CCCO1 ZINC000311262050 374237273 /nfs/dbraw/zinc/23/72/73/374237273.db2.gz WUVCSHNJMDBQBM-CQSZACIVSA-N 1 1 278.783 3.213 20 30 CGEDMO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CCCO1 ZINC000311262050 374237277 /nfs/dbraw/zinc/23/72/77/374237277.db2.gz WUVCSHNJMDBQBM-CQSZACIVSA-N 1 1 278.783 3.213 20 30 CGEDMO CC[N@@H+](CC(C)C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182651914 374306084 /nfs/dbraw/zinc/30/60/84/374306084.db2.gz RQOVEFLFQQDEEL-QGZVFWFLSA-N 1 1 299.418 3.032 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCCNc1nc2c(cc1C#N)CCC2 ZINC000314573091 374319305 /nfs/dbraw/zinc/31/93/05/374319305.db2.gz ABRWRPARNBJEKB-AWEZNQCLSA-N 1 1 298.434 3.118 20 30 CGEDMO C=CCOc1ccccc1C[NH2+][C@@H](CC)c1nccn1C ZINC000182946292 374348569 /nfs/dbraw/zinc/34/85/69/374348569.db2.gz FXRUQHFWVJECDZ-HNNXBMFYSA-N 1 1 285.391 3.226 20 30 CGEDMO Cc1noc(C2CC2)c1NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000329821860 374434789 /nfs/dbraw/zinc/43/47/89/374434789.db2.gz AQQZZWJCCKODNN-UWVGGRQHSA-N 1 1 277.368 3.321 20 30 CGEDMO Cc1noc(C2CC2)c1NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000329821858 374434926 /nfs/dbraw/zinc/43/49/26/374434926.db2.gz AQQZZWJCCKODNN-NXEZZACHSA-N 1 1 277.368 3.321 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cn(C)nc1-c1ccccc1 ZINC000183476542 374418723 /nfs/dbraw/zinc/41/87/23/374418723.db2.gz PYLVIXKPVBXHCY-UHFFFAOYSA-N 1 1 269.392 3.485 20 30 CGEDMO C[C@H]([NH2+]Cc1cnc(C2CC2)o1)c1ccc(C#N)cc1 ZINC000453355448 374444449 /nfs/dbraw/zinc/44/44/49/374444449.db2.gz MGJWQFCGGORZQI-NSHDSACASA-N 1 1 267.332 3.274 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000330826795 374491067 /nfs/dbraw/zinc/49/10/67/374491067.db2.gz WCQRUJQOMLAIJC-TYNCELHUSA-N 1 1 271.364 3.113 20 30 CGEDMO Cn1cc(C[N@H+]2Cc3sccc3CC2(C)C)cc1C#N ZINC000453614868 374476307 /nfs/dbraw/zinc/47/63/07/374476307.db2.gz FEWPHPAUDGJPAP-UHFFFAOYSA-N 1 1 285.416 3.295 20 30 CGEDMO C=C(C)C[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000185076182 374584876 /nfs/dbraw/zinc/58/48/76/374584876.db2.gz BJBFEVRTZHSYSR-JTQLQIEISA-N 1 1 261.300 3.102 20 30 CGEDMO CC1C[NH+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000334141559 374646991 /nfs/dbraw/zinc/64/69/91/374646991.db2.gz KYWQBSXJENYPSP-UHFFFAOYSA-N 1 1 254.255 3.029 20 30 CGEDMO C=C(C)CN1CCC([NH2+][C@@H](C)c2ccc(F)cc2O)CC1 ZINC000185384476 374654246 /nfs/dbraw/zinc/65/42/46/374654246.db2.gz XGGYWYKHDAZAHR-ZDUSSCGKSA-N 1 1 292.398 3.222 20 30 CGEDMO CC[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000185635606 374703252 /nfs/dbraw/zinc/70/32/52/374703252.db2.gz BOSHWSDZCQRHAJ-DOTOQJQBSA-N 1 1 299.418 3.054 20 30 CGEDMO C=CCSCC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000185968775 374776213 /nfs/dbraw/zinc/77/62/13/374776213.db2.gz TXVTZNXUUFWWES-JTQLQIEISA-N 1 1 255.358 3.101 20 30 CGEDMO Cc1cc(C[N@H+]2CC[C@@H](C)C[C@H]2C(N)=O)ccc1C#N ZINC000334552075 374849293 /nfs/dbraw/zinc/84/92/93/374849293.db2.gz DKDYCGXUUGODNW-ABAIWWIYSA-N 1 1 271.364 3.002 20 30 CGEDMO Cc1cc(C[N@@H+]2CC[C@@H](C)C[C@H]2C(N)=O)ccc1C#N ZINC000334552075 374849299 /nfs/dbraw/zinc/84/92/99/374849299.db2.gz DKDYCGXUUGODNW-ABAIWWIYSA-N 1 1 271.364 3.002 20 30 CGEDMO COC[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000187034546 374960178 /nfs/dbraw/zinc/96/01/78/374960178.db2.gz GXXBWVAJQWUVQC-LBPRGKRZSA-N 1 1 278.783 3.070 20 30 CGEDMO COC[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000187034546 374960183 /nfs/dbraw/zinc/96/01/83/374960183.db2.gz GXXBWVAJQWUVQC-LBPRGKRZSA-N 1 1 278.783 3.070 20 30 CGEDMO C=CCCC[N@@H+]1CCSC[C@H]1c1nccs1 ZINC000187060102 374963962 /nfs/dbraw/zinc/96/39/62/374963962.db2.gz WJISAAHXWHMJDJ-NSHDSACASA-N 1 1 254.424 3.199 20 30 CGEDMO C=CCCC[N@H+]1CCSC[C@H]1c1nccs1 ZINC000187060102 374963967 /nfs/dbraw/zinc/96/39/67/374963967.db2.gz WJISAAHXWHMJDJ-NSHDSACASA-N 1 1 254.424 3.199 20 30 CGEDMO C[C@@H](CN1CCCCCC1)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000186726973 374906617 /nfs/dbraw/zinc/90/66/17/374906617.db2.gz NTYZEFCHVLVQJH-HOTGVXAUSA-N 1 1 285.435 3.473 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000467279671 374974779 /nfs/dbraw/zinc/97/47/79/374974779.db2.gz SWYNBLOJONELTE-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000334686446 374975193 /nfs/dbraw/zinc/97/51/93/374975193.db2.gz OZOLQSSDSNTLLX-BDJLRTHQSA-N 1 1 283.400 3.428 20 30 CGEDMO C=CCNC(=O)C[N@@H+](Cc1ccccc1)[C@@H](C)C(C)(C)C ZINC000469446245 374988682 /nfs/dbraw/zinc/98/86/82/374988682.db2.gz MGPTWPMJBFOXMU-HNNXBMFYSA-N 1 1 288.435 3.225 20 30 CGEDMO COc1cc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)ccc1O ZINC000187368265 375010407 /nfs/dbraw/zinc/01/04/07/375010407.db2.gz ICPIOWJFRFILOZ-CYBMUJFWSA-N 1 1 296.370 3.465 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000472775668 375033136 /nfs/dbraw/zinc/03/31/36/375033136.db2.gz SJLGALNYJPXZIZ-ROUUACIJSA-N 1 1 273.420 3.411 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000187714667 375078675 /nfs/dbraw/zinc/07/86/75/375078675.db2.gz NDCZQCWVLFROHS-BMGDILEWSA-N 1 1 283.419 3.035 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000187714667 375078684 /nfs/dbraw/zinc/07/86/84/375078684.db2.gz NDCZQCWVLFROHS-BMGDILEWSA-N 1 1 283.419 3.035 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(c2ccc(F)cc2C)C1=O ZINC000481299515 375163162 /nfs/dbraw/zinc/16/31/62/375163162.db2.gz FWLJYEAWNXKXAU-INIZCTEOSA-N 1 1 290.382 3.137 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CCC[C@@H]2c2ccncc2)c1 ZINC000335148327 375174578 /nfs/dbraw/zinc/17/45/78/375174578.db2.gz VCQJYVVXKJXELV-OAHLLOKOSA-N 1 1 269.373 3.352 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@@H]2c2ccncc2)c1 ZINC000335148327 375174581 /nfs/dbraw/zinc/17/45/81/375174581.db2.gz VCQJYVVXKJXELV-OAHLLOKOSA-N 1 1 269.373 3.352 20 30 CGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCC[C@@H](C)C1 ZINC000187946252 375124496 /nfs/dbraw/zinc/12/44/96/375124496.db2.gz OYZDWDZGPDDNKG-KGLIPLIRSA-N 1 1 285.391 3.007 20 30 CGEDMO Cc1nccnc1[C@H](C)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000188258290 375185424 /nfs/dbraw/zinc/18/54/24/375185424.db2.gz WHXQTSYRNBORTM-HOCLYGCPSA-N 1 1 280.375 3.481 20 30 CGEDMO C[N@H+]1CCN(CC#Cc2ccccc2)[C@H](c2ccccc2)C1 ZINC000484082468 375186658 /nfs/dbraw/zinc/18/66/58/375186658.db2.gz QPIIQKODSCRCGK-FQEVSTJZSA-N 1 1 290.410 3.027 20 30 CGEDMO COCC[N@@H+](CC#Cc1ccccc1)[C@@H]1CC[C@@H](C)C1 ZINC000484874770 375188560 /nfs/dbraw/zinc/18/85/60/375188560.db2.gz YHBKATKBAPEGLT-SJLPKXTDSA-N 1 1 271.404 3.175 20 30 CGEDMO Cc1cc(C[N@@H+](CCCO)CC(C)(C)C)ccc1C#N ZINC000487871610 375279852 /nfs/dbraw/zinc/27/98/52/375279852.db2.gz MORGXPZPLFMCPO-UHFFFAOYSA-N 1 1 274.408 3.097 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccn(-c2ccc(F)cc2F)n1 ZINC000487954266 375287775 /nfs/dbraw/zinc/28/77/75/375287775.db2.gz SNSMFZJSXSDKHH-UHFFFAOYSA-N 1 1 277.318 3.158 20 30 CGEDMO COCC[N@@H+](CC#Cc1ccccc1)[C@@H]1CCC[C@@H]1C ZINC000487966964 375289973 /nfs/dbraw/zinc/28/99/73/375289973.db2.gz YEVVWGIFSBQBOE-FUHWJXTLSA-N 1 1 271.404 3.175 20 30 CGEDMO N#CC1(C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)CC1 ZINC000494448034 375488077 /nfs/dbraw/zinc/48/80/77/375488077.db2.gz CZSLYEZMADMOSH-KGLIPLIRSA-N 1 1 276.767 3.063 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)C[C@@H]1CCSC1 ZINC000494924366 375495367 /nfs/dbraw/zinc/49/53/67/375495367.db2.gz PXSZHHFKHYQDFX-AWEZNQCLSA-N 1 1 254.443 3.391 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495721036 375501563 /nfs/dbraw/zinc/50/15/63/375501563.db2.gz XPSGVPHAWCLZTR-INIZCTEOSA-N 1 1 282.428 3.189 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000495746577 375502711 /nfs/dbraw/zinc/50/27/11/375502711.db2.gz MXPDPUXRWNWRFZ-UONOGXRCSA-N 1 1 282.428 3.188 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)o1 ZINC000335885344 375511709 /nfs/dbraw/zinc/51/17/09/375511709.db2.gz HLVGQAHIXNAECT-SFHVURJKSA-N 1 1 294.354 3.173 20 30 CGEDMO CC(C)[N@@H+](Cc1cc(C#N)n(C)c1)Cc1ccccc1 ZINC000191147551 375585403 /nfs/dbraw/zinc/58/54/03/375585403.db2.gz RLERGPXWKWALME-UHFFFAOYSA-N 1 1 267.376 3.307 20 30 CGEDMO CC(C)C[C@@H]1CCC[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000191411683 375623917 /nfs/dbraw/zinc/62/39/17/375623917.db2.gz DGSUOYLEJOIIKC-AWEZNQCLSA-N 1 1 259.397 3.155 20 30 CGEDMO CC[C@@H](C)[C@H](C)[N@@H+](Cc1cc(C#N)n(C)c1)C1CC1 ZINC000191329521 375611864 /nfs/dbraw/zinc/61/18/64/375611864.db2.gz RGVQZKRBTTXBKM-OLZOCXBDSA-N 1 1 259.397 3.296 20 30 CGEDMO C[C@H](C#N)C[N@H+](C)CCC(=O)Nc1cccc2ccccc21 ZINC000505775847 375661702 /nfs/dbraw/zinc/66/17/02/375661702.db2.gz FHARPFNWZGGIHL-CQSZACIVSA-N 1 1 295.386 3.260 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C)CCC(=O)Nc1cccc2ccccc21 ZINC000505775847 375661704 /nfs/dbraw/zinc/66/17/04/375661704.db2.gz FHARPFNWZGGIHL-CQSZACIVSA-N 1 1 295.386 3.260 20 30 CGEDMO CC[N@@H+](Cc1cc(C#N)n(C)c1)Cc1c[nH]c2ccccc12 ZINC000191541833 375638419 /nfs/dbraw/zinc/63/84/19/375638419.db2.gz RCWJUCYDAXRLHZ-UHFFFAOYSA-N 1 1 292.386 3.400 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000505884230 375663870 /nfs/dbraw/zinc/66/38/70/375663870.db2.gz HBHRNUCSJJFZAX-QJPGBWLHSA-N 1 1 271.404 3.491 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000505902883 375664083 /nfs/dbraw/zinc/66/40/83/375664083.db2.gz LBAPLDLGHWKDDN-UHFFFAOYSA-N 1 1 297.301 3.191 20 30 CGEDMO C=C(C)C[N@H+](CCC)[C@@H](C)C(=O)Nc1ccccc1 ZINC000506638898 375665278 /nfs/dbraw/zinc/66/52/78/375665278.db2.gz GVLUATSOLZTMDZ-AWEZNQCLSA-N 1 1 260.381 3.302 20 30 CGEDMO C[C@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000336086400 375674706 /nfs/dbraw/zinc/67/47/06/375674706.db2.gz YPAYQCLTFDMDRI-CABZTGNLSA-N 1 1 272.270 3.314 20 30 CGEDMO C[C@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1ccc(C#N)o1 ZINC000336086400 375674712 /nfs/dbraw/zinc/67/47/12/375674712.db2.gz YPAYQCLTFDMDRI-CABZTGNLSA-N 1 1 272.270 3.314 20 30 CGEDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1CCCC(C)(C)C#N ZINC000124147712 542031573 /nfs/dbraw/zinc/03/15/73/542031573.db2.gz DDAPYWKDPDSLRK-HUUCEWRRSA-N 1 1 266.429 3.332 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+](C)CCC1CCCCC1 ZINC000507603663 375715918 /nfs/dbraw/zinc/71/59/18/375715918.db2.gz YOCKELJWAGLYPC-UHFFFAOYSA-N 1 1 278.440 3.089 20 30 CGEDMO Clc1cccc(C#CC[N@H+]2CCC3(C2)CCOCC3)c1 ZINC000336165769 375742572 /nfs/dbraw/zinc/74/25/72/375742572.db2.gz RDBVVTSRIGWHNT-UHFFFAOYSA-N 1 1 289.806 3.194 20 30 CGEDMO N#CCC1CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000336378938 375784486 /nfs/dbraw/zinc/78/44/86/375784486.db2.gz HKIJHVDKLUUIHO-UHFFFAOYSA-N 1 1 250.292 3.090 20 30 CGEDMO C=C(C)CC[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000508976499 375766755 /nfs/dbraw/zinc/76/67/55/375766755.db2.gz HAXPFBWYJGZNAO-KRWDZBQOSA-N 1 1 257.377 3.127 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCOc1cc(OC)cc(OC)c1 ZINC000509341361 375778712 /nfs/dbraw/zinc/77/87/12/375778712.db2.gz FJSHEMBXXHETMP-UHFFFAOYSA-N 1 1 293.407 3.371 20 30 CGEDMO C[C@H]1[N@@H+](Cc2ccc(C#N)cc2F)CCC12CCOCC2 ZINC000336532622 375811825 /nfs/dbraw/zinc/81/18/25/375811825.db2.gz YXOFKGVPIXUPOG-CYBMUJFWSA-N 1 1 288.366 3.088 20 30 CGEDMO C=CCCCCCN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000193401784 375873191 /nfs/dbraw/zinc/87/31/91/375873191.db2.gz UYJGUTDFBUGBOZ-CVEARBPZSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CCCCCCN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000193401784 375873195 /nfs/dbraw/zinc/87/31/95/375873195.db2.gz UYJGUTDFBUGBOZ-CVEARBPZSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@H]1[C@@H](C)CC ZINC000525328228 375883152 /nfs/dbraw/zinc/88/31/52/375883152.db2.gz GNAGRJKJQOLGQV-HOTGVXAUSA-N 1 1 278.440 3.088 20 30 CGEDMO C[C@@H]1C[N@@H+](C[C@H](O)CC2(C#N)CC2)CC[C@@H]1c1ccccc1 ZINC000528393308 375900224 /nfs/dbraw/zinc/90/02/24/375900224.db2.gz VVCDXOSQEIFOGV-NXHRZFHOSA-N 1 1 298.430 3.167 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000528471965 375903540 /nfs/dbraw/zinc/90/35/40/375903540.db2.gz IURGNXXVLRTGGV-CQSZACIVSA-N 1 1 296.773 3.092 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000528739533 375908840 /nfs/dbraw/zinc/90/88/40/375908840.db2.gz KOLWJJZTMSMWNA-CYBMUJFWSA-N 1 1 271.408 3.457 20 30 CGEDMO CCN1CC[C@@H]([N@H+](C)CCCC(C)(C)C#N)C[C@H]1C ZINC000336803020 375952212 /nfs/dbraw/zinc/95/22/12/375952212.db2.gz WVKWUNZJXIQJLR-HUUCEWRRSA-N 1 1 265.445 3.121 20 30 CGEDMO CCN1CC[C@@H]([N@@H+](C)CCCC(C)(C)C#N)C[C@H]1C ZINC000336803020 375952213 /nfs/dbraw/zinc/95/22/13/375952213.db2.gz WVKWUNZJXIQJLR-HUUCEWRRSA-N 1 1 265.445 3.121 20 30 CGEDMO CCCC[C@H](C)[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000336850781 376011535 /nfs/dbraw/zinc/01/15/35/376011535.db2.gz ZEXYMOMUNZVJPQ-AWEZNQCLSA-N 1 1 287.407 3.397 20 30 CGEDMO N#Cc1cccc(C[NH2+]Cc2cccc(O)c2Cl)c1 ZINC000336887306 376018415 /nfs/dbraw/zinc/01/84/15/376018415.db2.gz CWDWQFFUGOZJJU-UHFFFAOYSA-N 1 1 272.735 3.207 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC000536629750 376104565 /nfs/dbraw/zinc/10/45/65/376104565.db2.gz PUBBQIWTNJIOLU-OAHLLOKOSA-N 1 1 269.373 3.352 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC000536629750 376104569 /nfs/dbraw/zinc/10/45/69/376104569.db2.gz PUBBQIWTNJIOLU-OAHLLOKOSA-N 1 1 269.373 3.352 20 30 CGEDMO CCCOc1ccc(C[N@H+](CC)C[C@H](C)C#N)cc1 ZINC000536641230 376106837 /nfs/dbraw/zinc/10/68/37/376106837.db2.gz URJZKNKKALXQJI-CQSZACIVSA-N 1 1 260.381 3.457 20 30 CGEDMO CCCOc1ccc(C[N@@H+](CC)C[C@H](C)C#N)cc1 ZINC000536641230 376106841 /nfs/dbraw/zinc/10/68/41/376106841.db2.gz URJZKNKKALXQJI-CQSZACIVSA-N 1 1 260.381 3.457 20 30 CGEDMO CC(C)[N@H+](CCC#N)Cc1cc2ccccc2[nH]c1=O ZINC000535785691 376060684 /nfs/dbraw/zinc/06/06/84/376060684.db2.gz OOBOVUFJRRSQNZ-UHFFFAOYSA-N 1 1 269.348 3.064 20 30 CGEDMO CC(C)[N@@H+](CCC#N)Cc1cc2ccccc2[nH]c1=O ZINC000535785691 376060691 /nfs/dbraw/zinc/06/06/91/376060691.db2.gz OOBOVUFJRRSQNZ-UHFFFAOYSA-N 1 1 269.348 3.064 20 30 CGEDMO C[C@@H](O)C[N@@H+](Cc1cc(C#N)cs1)Cc1ccccc1 ZINC000535805474 376064449 /nfs/dbraw/zinc/06/44/49/376064449.db2.gz UXEWCSZTZRSEEJ-CYBMUJFWSA-N 1 1 286.400 3.003 20 30 CGEDMO CC[C@H]1CC[C@@H](C)[N@H+]1CCCC1(C#N)CCOCC1 ZINC000337197257 376128724 /nfs/dbraw/zinc/12/87/24/376128724.db2.gz YGWXLZRQHVIZKH-CABCVRRESA-N 1 1 264.413 3.350 20 30 CGEDMO CC[C@@H]1CC[C@H](C)[N@H+]1CCCC1(C#N)CCOCC1 ZINC000337197260 376129853 /nfs/dbraw/zinc/12/98/53/376129853.db2.gz YGWXLZRQHVIZKH-LSDHHAIUSA-N 1 1 264.413 3.350 20 30 CGEDMO C[C@H]1C[N@@H+](CC2(C#N)CC2)CC[C@H]1c1ccccc1 ZINC000537255329 376157027 /nfs/dbraw/zinc/15/70/27/376157027.db2.gz STRXZSSAWSFCOY-GOEBONIOSA-N 1 1 254.377 3.416 20 30 CGEDMO Cc1cc(C[N@@H+]2CCCC[C@H]2c2ccnn2C)ccc1C#N ZINC000337249974 376163920 /nfs/dbraw/zinc/16/39/20/376163920.db2.gz JSFARWXQAVRPJN-SFHVURJKSA-N 1 1 294.402 3.327 20 30 CGEDMO C[N@@H+](CCCC1(C#N)CCOCC1)C1(C)CCCC1 ZINC000337262831 376175100 /nfs/dbraw/zinc/17/51/00/376175100.db2.gz WSHRXKJURHJGHG-UHFFFAOYSA-N 1 1 264.413 3.351 20 30 CGEDMO C=CCCC[C@@H](C)NC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000539389577 376306213 /nfs/dbraw/zinc/30/62/13/376306213.db2.gz MWDOCHUIXUJNRX-HUUCEWRRSA-N 1 1 293.455 3.047 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC000338548430 376422493 /nfs/dbraw/zinc/42/24/93/376422493.db2.gz YJRFKPNJAJLKTF-UHFFFAOYSA-N 1 1 259.393 3.370 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+]1CCN(CC(F)F)[C@H](CC)C1 ZINC000540344422 376370706 /nfs/dbraw/zinc/37/07/06/376370706.db2.gz BIGJRSOKJYSWLY-UONOGXRCSA-N 1 1 274.399 3.393 20 30 CGEDMO CC#CCCNC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000541746456 376476622 /nfs/dbraw/zinc/47/66/22/376476622.db2.gz JRQUAZHQFSEJAW-UHFFFAOYSA-N 1 1 286.419 3.060 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)cc1 ZINC000541283342 376434994 /nfs/dbraw/zinc/43/49/94/376434994.db2.gz XZBXOJZUZWTDRB-LJQANCHMSA-N 1 1 291.398 3.439 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000541388952 376444915 /nfs/dbraw/zinc/44/49/15/376444915.db2.gz FVVMRIPBCNXNBI-SJLPKXTDSA-N 1 1 273.420 3.420 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@H]1CCC2(CCCC2)O1 ZINC000229315982 376461653 /nfs/dbraw/zinc/46/16/53/376461653.db2.gz FAMMCQHKHSKBKL-QGZVFWFLSA-N 1 1 284.403 3.482 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@H]2c2cccnc2)ccc1F ZINC000334280199 206302725 /nfs/dbraw/zinc/30/27/25/206302725.db2.gz RFKBUYYOXKQAAZ-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@H]2c2cccnc2)ccc1F ZINC000334280199 206302727 /nfs/dbraw/zinc/30/27/27/206302727.db2.gz RFKBUYYOXKQAAZ-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]Cc1ccc(C)cn1 ZINC000134308403 542082251 /nfs/dbraw/zinc/08/22/51/542082251.db2.gz LIIOBSIQTCHKMM-UHFFFAOYSA-N 1 1 268.360 3.245 20 30 CGEDMO CC[N@@H+](CCOc1ccccc1C#N)CC1CCC1 ZINC000230316556 376506114 /nfs/dbraw/zinc/50/61/14/376506114.db2.gz VTURHCWNWIGDEL-UHFFFAOYSA-N 1 1 258.365 3.059 20 30 CGEDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000233922066 376607328 /nfs/dbraw/zinc/60/73/28/376607328.db2.gz CWTUJRLJZOMLCY-SWLSCSKDSA-N 1 1 258.365 3.330 20 30 CGEDMO C=C(CC)C[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000543557694 376656918 /nfs/dbraw/zinc/65/69/18/376656918.db2.gz FQPXJWPXCFJOBS-KRWDZBQOSA-N 1 1 259.393 3.286 20 30 CGEDMO N#CCC1CC[NH+](Cc2csc(C3CC3)n2)CC1 ZINC000543779496 376678043 /nfs/dbraw/zinc/67/80/43/376678043.db2.gz CZRDDUFPPUKAJG-UHFFFAOYSA-N 1 1 261.394 3.146 20 30 CGEDMO C[N@@H+](Cc1cc(F)cc(F)c1)[C@@H]1CC[C@@H](C#N)C1 ZINC000339127482 376697098 /nfs/dbraw/zinc/69/70/98/376697098.db2.gz FPCIJUPELNYAIA-QMTHXVAHSA-N 1 1 250.292 3.089 20 30 CGEDMO C=CCOCCC[N@@H+]1CCCC[C@@H]1c1nccn1CC ZINC000339150273 376712342 /nfs/dbraw/zinc/71/23/42/376712342.db2.gz UPVWRQWUPZSYBM-OAHLLOKOSA-N 1 1 277.412 3.023 20 30 CGEDMO C=CC[N@H+](Cc1cccnc1)Cc1cccc(C#N)c1 ZINC000339291604 376744013 /nfs/dbraw/zinc/74/40/13/376744013.db2.gz VFKFZUDQCBXEOF-UHFFFAOYSA-N 1 1 263.344 3.141 20 30 CGEDMO C=CC[N@@H+](Cc1cccnc1)Cc1cccc(C#N)c1 ZINC000339291604 376744026 /nfs/dbraw/zinc/74/40/26/376744026.db2.gz VFKFZUDQCBXEOF-UHFFFAOYSA-N 1 1 263.344 3.141 20 30 CGEDMO N#Cc1ccccc1N1CCC[N@@H+](C[C@@H]2CC=CCC2)CC1 ZINC000245544295 376847518 /nfs/dbraw/zinc/84/75/18/376847518.db2.gz RWRPVRVXSHVLPZ-QGZVFWFLSA-N 1 1 295.430 3.427 20 30 CGEDMO C=CCOCC[N@H+]1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000555376877 376856459 /nfs/dbraw/zinc/85/64/59/376856459.db2.gz DMMGBCKOBIHQPF-BBRMVZONSA-N 1 1 263.356 3.411 20 30 CGEDMO CC[C@]1(C)CC[N@@H+](Cc2ccc(OC)c(C#N)c2)C1 ZINC000340197102 376947504 /nfs/dbraw/zinc/94/75/04/376947504.db2.gz ZQUUVAZZMVHRMN-MRXNPFEDSA-N 1 1 258.365 3.189 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](CC)[C@H](C)c1cccc(OC)c1 ZINC000246019202 376952742 /nfs/dbraw/zinc/95/27/42/376952742.db2.gz NAVAXOPTWOLPMW-ZBFHGGJFSA-N 1 1 277.408 3.405 20 30 CGEDMO C[C@H]1CCC[C@H](C)[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000558601872 377023218 /nfs/dbraw/zinc/02/32/18/377023218.db2.gz QLIYUBCXRRLNJX-GJZGRUSLSA-N 1 1 272.392 3.448 20 30 CGEDMO Cc1cnc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)nc1 ZINC000340681829 377213065 /nfs/dbraw/zinc/21/30/65/377213065.db2.gz IDPWPUCMBLXDGX-UHFFFAOYSA-N 1 1 294.402 3.315 20 30 CGEDMO Cc1cnc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)nc1 ZINC000340681829 377213068 /nfs/dbraw/zinc/21/30/68/377213068.db2.gz IDPWPUCMBLXDGX-UHFFFAOYSA-N 1 1 294.402 3.315 20 30 CGEDMO COc1ccc2c(c1)CC[N@H+](Cc1ccc(C#N)cc1)CC2 ZINC000340744899 377244173 /nfs/dbraw/zinc/24/41/73/377244173.db2.gz YNRLDAMBMZWLDR-UHFFFAOYSA-N 1 1 292.382 3.168 20 30 CGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCC[C@H](C)C1 ZINC000248538642 377340570 /nfs/dbraw/zinc/34/05/70/377340570.db2.gz ACXHEACYYFYSNR-UONOGXRCSA-N 1 1 285.391 3.007 20 30 CGEDMO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2cccc(C#N)c2F)C1(C)C ZINC000340887175 377304152 /nfs/dbraw/zinc/30/41/52/377304152.db2.gz ZCZQLOMINSOHMP-RHSMWYFYSA-N 1 1 290.382 3.333 20 30 CGEDMO C=C(C)C[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000248392796 377304136 /nfs/dbraw/zinc/30/41/36/377304136.db2.gz FZFQNBXSXLFPNM-VQFNDLOPSA-N 1 1 272.436 3.309 20 30 CGEDMO CC#CCC[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000248396404 377305803 /nfs/dbraw/zinc/30/58/03/377305803.db2.gz QBUVTAICKSLXRU-PKOBYXMFSA-N 1 1 284.447 3.385 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2cc(C#N)n(C)c2)[C@@H](c2ccco2)C1 ZINC000248806843 377404229 /nfs/dbraw/zinc/40/42/29/377404229.db2.gz BSADEYZHFYHENL-XJKSGUPXSA-N 1 1 283.375 3.463 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000566921472 377502306 /nfs/dbraw/zinc/50/23/06/377502306.db2.gz YHGPVKKNVLUMJS-KRWDZBQOSA-N 1 1 288.435 3.322 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000249455472 377505346 /nfs/dbraw/zinc/50/53/46/377505346.db2.gz NLHGVHQSJBSUBY-CHWSQXEVSA-N 1 1 258.365 3.119 20 30 CGEDMO N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000249156854 377472782 /nfs/dbraw/zinc/47/27/82/377472782.db2.gz XDRZAEUUUQXAQX-QYZOEREBSA-N 1 1 297.446 3.180 20 30 CGEDMO C=C(C)CC[N@@H+](Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC000565170685 377483956 /nfs/dbraw/zinc/48/39/56/377483956.db2.gz LHOPAMFXYGRAKM-QAQDUYKDSA-N 1 1 289.419 3.464 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000249280027 377485247 /nfs/dbraw/zinc/48/52/47/377485247.db2.gz NDCZQCWVLFROHS-JLSDUUJJSA-N 1 1 283.419 3.035 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000249280027 377485254 /nfs/dbraw/zinc/48/52/54/377485254.db2.gz NDCZQCWVLFROHS-JLSDUUJJSA-N 1 1 283.419 3.035 20 30 CGEDMO CC1(C)CCC[N@@H+](CCOc2cccc(C#N)c2)CC1 ZINC000087657794 249024202 /nfs/dbraw/zinc/02/42/02/249024202.db2.gz MBOZILYHWLZCEI-UHFFFAOYSA-N 1 1 272.392 3.449 20 30 CGEDMO C=CCCCC[NH+]1CCN(CCC(C)(C)C)CC1 ZINC000567839238 377510011 /nfs/dbraw/zinc/51/00/11/377510011.db2.gz XBKFOXXKQFQLJK-UHFFFAOYSA-N 1 1 252.446 3.397 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@H]1CCCC[C@H]1O ZINC000569931762 377531376 /nfs/dbraw/zinc/53/13/76/377531376.db2.gz KMYNUSLMVBHFIX-AKHDSKFASA-N 1 1 298.430 3.309 20 30 CGEDMO C=CCCCC[N@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000572828863 377551440 /nfs/dbraw/zinc/55/14/40/377551440.db2.gz YDGKNCJDHGMBPD-UHFFFAOYSA-N 1 1 260.381 3.222 20 30 CGEDMO COCC[N@@H+](Cc1ccccc1C#N)[C@H]1CCC[C@@H]1C ZINC000487967505 249172077 /nfs/dbraw/zinc/17/20/77/249172077.db2.gz ZEEMNMUQILUWAL-YOEHRIQHSA-N 1 1 272.392 3.195 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(Cl)cn1 ZINC000515081430 249201342 /nfs/dbraw/zinc/20/13/42/249201342.db2.gz BOUHPKAWWFHHKU-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(Cl)cn1 ZINC000515081430 249201345 /nfs/dbraw/zinc/20/13/45/249201345.db2.gz BOUHPKAWWFHHKU-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO CC[N@@H+](CCc1ccccc1)Cc1ccc(C#N)cn1 ZINC000573873606 377588104 /nfs/dbraw/zinc/58/81/04/377588104.db2.gz HVYGASMGYOIMQH-UHFFFAOYSA-N 1 1 265.360 3.018 20 30 CGEDMO C[C@H]1CCC[N@@H+](CCOc2ccc(C#N)cc2)[C@H]1C ZINC000252213848 377619072 /nfs/dbraw/zinc/61/90/72/377619072.db2.gz XCMIHYIPUIXIHC-KBPBESRZSA-N 1 1 258.365 3.057 20 30 CGEDMO N#Cc1cc(Cl)ccc1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252668698 377647525 /nfs/dbraw/zinc/64/75/25/377647525.db2.gz ZRUVQBCHGIGTFJ-KBPBESRZSA-N 1 1 275.783 3.250 20 30 CGEDMO N#CCCC[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000342545708 377657188 /nfs/dbraw/zinc/65/71/88/377657188.db2.gz ODZGMOLZARFTOH-QGZVFWFLSA-N 1 1 293.370 3.260 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(c2ccc(F)cc2C)C1=O ZINC000342729533 377760618 /nfs/dbraw/zinc/76/06/18/377760618.db2.gz FUQBOHSLKJCGHQ-INIZCTEOSA-N 1 1 290.382 3.137 20 30 CGEDMO COc1c(C)cc(C[N@H+](C)CC(C)(C)C#N)cc1C ZINC000258937973 377801613 /nfs/dbraw/zinc/80/16/13/377801613.db2.gz PWTLDWDFOWYIDU-UHFFFAOYSA-N 1 1 260.381 3.294 20 30 CGEDMO COc1c(C)cc(C[N@@H+](C)CC(C)(C)C#N)cc1C ZINC000258937973 377801622 /nfs/dbraw/zinc/80/16/22/377801622.db2.gz PWTLDWDFOWYIDU-UHFFFAOYSA-N 1 1 260.381 3.294 20 30 CGEDMO C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000342800289 377803725 /nfs/dbraw/zinc/80/37/25/377803725.db2.gz QXPRSMOOUNAZBN-MGPQQGTHSA-N 1 1 282.391 3.072 20 30 CGEDMO N#CCOc1ccc(C[N@@H+]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000264175193 377960690 /nfs/dbraw/zinc/96/06/90/377960690.db2.gz WRFPVILUXPVTOB-ZDUSSCGKSA-N 1 1 298.308 3.363 20 30 CGEDMO CC[N@@H+](CCc1nccs1)Cc1ccc(CC#N)cc1 ZINC000343430251 377978635 /nfs/dbraw/zinc/97/86/35/377978635.db2.gz UBDAMWRXNDKXGJ-UHFFFAOYSA-N 1 1 285.416 3.274 20 30 CGEDMO C=C1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000264421738 377984017 /nfs/dbraw/zinc/98/40/17/377984017.db2.gz AJINUZXSPSCQMO-UHFFFAOYSA-N 1 1 253.349 3.024 20 30 CGEDMO C=CCN(CC1CCCCC1)C(=O)C[N@H+](CC)C1CC1 ZINC000343486224 377994518 /nfs/dbraw/zinc/99/45/18/377994518.db2.gz QZMBOFLOAZAHPX-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000343603957 378036856 /nfs/dbraw/zinc/03/68/56/378036856.db2.gz HPCALOOVMHYSDU-SFHVURJKSA-N 1 1 279.387 3.428 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000268303273 378052662 /nfs/dbraw/zinc/05/26/62/378052662.db2.gz VKYJYSRFSQOLBN-HUUCEWRRSA-N 1 1 290.407 3.497 20 30 CGEDMO Cc1nc2sccn2c1C[N@@H+](C)CCCC(C)(C)C#N ZINC000268469363 378063149 /nfs/dbraw/zinc/06/31/49/378063149.db2.gz HOISSMRYAMRWRI-UHFFFAOYSA-N 1 1 290.436 3.466 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(OC)cc1 ZINC000268527894 378070556 /nfs/dbraw/zinc/07/05/56/378070556.db2.gz DQIDJERRJDVNJU-NVXWUHKLSA-N 1 1 275.392 3.159 20 30 CGEDMO C[C@H](c1ccccn1)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000343720113 378075186 /nfs/dbraw/zinc/07/51/86/378075186.db2.gz ACUZPKKQJBXWMO-CQSZACIVSA-N 1 1 265.360 3.341 20 30 CGEDMO C[C@H](O)C[N@@H+](Cc1ccc(CC#N)cc1)C1CCCCC1 ZINC000343561929 378021706 /nfs/dbraw/zinc/02/17/06/378021706.db2.gz XNWCELBECIXWTH-HNNXBMFYSA-N 1 1 286.419 3.268 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)[C@H](CO)CC(C)C)cc1 ZINC000574677777 335038819 /nfs/dbraw/zinc/03/88/19/335038819.db2.gz KIXLPZGDVTYLTI-INIZCTEOSA-N 1 1 277.408 3.090 20 30 CGEDMO CC[N@@H+](CCCSCC#N)CCc1cccs1 ZINC000266751628 378025687 /nfs/dbraw/zinc/02/56/87/378025687.db2.gz QNGSVGYMWDAZTQ-UHFFFAOYSA-N 1 1 268.451 3.259 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@@H](C(C)(C)C)C[C@H]1C ZINC000578902636 378112376 /nfs/dbraw/zinc/11/23/76/378112376.db2.gz UCBXBMVYZKBLPY-KFWWJZLASA-N 1 1 253.430 3.460 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@H](C)c1ccc(F)c(F)c1 ZINC000268680579 378089370 /nfs/dbraw/zinc/08/93/70/378089370.db2.gz WYVYAIKNDOEBJS-YPMHNXCESA-N 1 1 269.335 3.285 20 30 CGEDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccc(C#N)cn1 ZINC000579909449 378206915 /nfs/dbraw/zinc/20/69/15/378206915.db2.gz KSCJQBFVHXHDCK-INWMFGNUSA-N 1 1 255.365 3.106 20 30 CGEDMO C[N@@H+](CCc1ccc(Cl)cc1)Cc1ccc(C#N)cn1 ZINC000579371333 378155860 /nfs/dbraw/zinc/15/58/60/378155860.db2.gz ZURSOYRPUGVBGT-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)nc1 ZINC000580325243 378242070 /nfs/dbraw/zinc/24/20/70/378242070.db2.gz MMLUXMDIESBASM-INIZCTEOSA-N 1 1 277.371 3.018 20 30 CGEDMO C[N@H+](Cc1ccccc1C(C)(C)C#N)C[C@@H]1CCC[C@@H]1O ZINC000270217750 378323288 /nfs/dbraw/zinc/32/32/88/378323288.db2.gz YURAYTKOSYEYFZ-RDJZCZTQSA-N 1 1 286.419 3.081 20 30 CGEDMO C=C[C@H](CC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1 ZINC000270241378 378325827 /nfs/dbraw/zinc/32/58/27/378325827.db2.gz LEMSADVFZQTTTQ-BPQIPLTHSA-N 1 1 298.430 3.089 20 30 CGEDMO Cc1nccn1CCC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000270584369 378371851 /nfs/dbraw/zinc/37/18/51/378371851.db2.gz DELWCQOEQKQKJF-UHFFFAOYSA-N 1 1 294.402 3.118 20 30 CGEDMO COc1ccc(CSCCn2cc[nH+]c2C)cc1C#N ZINC000271053373 378442081 /nfs/dbraw/zinc/44/20/81/378442081.db2.gz XIDYCJUDIKREAM-UHFFFAOYSA-N 1 1 287.388 3.005 20 30 CGEDMO C[C@H](c1ccccn1)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000271063870 378445513 /nfs/dbraw/zinc/44/55/13/378445513.db2.gz BYDHODOXWRQILN-CQSZACIVSA-N 1 1 281.359 3.177 20 30 CGEDMO C[N@H+](Cc1cnn(-c2ccccc2)n1)CC(C)(C)CCC#N ZINC000271102009 378451986 /nfs/dbraw/zinc/45/19/86/378451986.db2.gz RCIWELDFUNGBSC-UHFFFAOYSA-N 1 1 297.406 3.029 20 30 CGEDMO C[N@@H+](Cc1cnn(-c2ccccc2)n1)CC(C)(C)CCC#N ZINC000271102009 378451990 /nfs/dbraw/zinc/45/19/90/378451990.db2.gz RCIWELDFUNGBSC-UHFFFAOYSA-N 1 1 297.406 3.029 20 30 CGEDMO C[C@@H](c1cccnc1)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000271465721 378493911 /nfs/dbraw/zinc/49/39/11/378493911.db2.gz FSGJOBCCJUTTNO-AWEZNQCLSA-N 1 1 281.359 3.177 20 30 CGEDMO Cc1cc[nH+]c(NCc2nc(-c3cccc(C#N)c3)c[nH]2)c1 ZINC000346198668 378499817 /nfs/dbraw/zinc/49/98/17/378499817.db2.gz BQNIZCNDKPISNH-UHFFFAOYSA-N 1 1 289.342 3.264 20 30 CGEDMO COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)nc1 ZINC000271985527 378537147 /nfs/dbraw/zinc/53/71/47/378537147.db2.gz PDTWUAPMJHKNHX-UHFFFAOYSA-N 1 1 295.386 3.372 20 30 CGEDMO CCC[N@@H+](CC)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000272274237 378602359 /nfs/dbraw/zinc/60/23/59/378602359.db2.gz LXSPIXLRBJINCL-UHFFFAOYSA-N 1 1 282.391 3.191 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)C[C@H](OC)C1CCOCC1 ZINC000637870569 378607861 /nfs/dbraw/zinc/60/78/61/378607861.db2.gz CDTVAOYKKZVGKD-INIZCTEOSA-N 1 1 295.448 3.178 20 30 CGEDMO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccccn1 ZINC000272319902 378612504 /nfs/dbraw/zinc/61/25/04/378612504.db2.gz VSNNOYGNDRJPEI-CYBMUJFWSA-N 1 1 263.344 3.293 20 30 CGEDMO C[C@H](Nc1cccc(C#N)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272649536 378682684 /nfs/dbraw/zinc/68/26/84/378682684.db2.gz AJVUHNKUPABOSF-KBPBESRZSA-N 1 1 284.407 3.018 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cccc(O)c1OC ZINC000272691969 378689141 /nfs/dbraw/zinc/68/91/41/378689141.db2.gz XEEHJHLFESBZEG-UHFFFAOYSA-N 1 1 287.359 3.225 20 30 CGEDMO C=CCOCCC[N@H+](C)Cc1cc2ccccc2o1 ZINC000348024516 378756744 /nfs/dbraw/zinc/75/67/44/378756744.db2.gz CFIWNKMRKVXZTC-UHFFFAOYSA-N 1 1 259.349 3.457 20 30 CGEDMO C=CCOCCC[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1C ZINC000348041356 378762781 /nfs/dbraw/zinc/76/27/81/378762781.db2.gz XLIWKPIBDBJZRH-QGZVFWFLSA-N 1 1 299.418 3.303 20 30 CGEDMO C=CCOCCC[N@@H+]1CCCC[C@@H]1c1cccn1C ZINC000348056249 378769720 /nfs/dbraw/zinc/76/97/20/378769720.db2.gz OBGUTIQOPULCGM-MRXNPFEDSA-N 1 1 262.397 3.145 20 30 CGEDMO C=CCOCCC[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000348117312 378798505 /nfs/dbraw/zinc/79/85/05/378798505.db2.gz ZSTNVXWMUYLSDM-GOSISDBHSA-N 1 1 287.403 3.101 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@H](c2ccccc2OC)C1 ZINC000348030993 378759790 /nfs/dbraw/zinc/75/97/90/378759790.db2.gz JXROOLOVUVVOBU-HNNXBMFYSA-N 1 1 275.392 3.077 20 30 CGEDMO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCC(C)(C)C#N ZINC000274791566 378896943 /nfs/dbraw/zinc/89/69/43/378896943.db2.gz CAZPCNRTWFJFKX-FUHWJXTLSA-N 1 1 299.462 3.426 20 30 CGEDMO C=C(C)CC[N@H+](C)Cc1nc2c(s1)CCCC2 ZINC000274795084 378897141 /nfs/dbraw/zinc/89/71/41/378897141.db2.gz PELKZEIDMSTTHU-UHFFFAOYSA-N 1 1 250.411 3.420 20 30 CGEDMO C=CC[C@H](C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000275058758 378931918 /nfs/dbraw/zinc/93/19/18/378931918.db2.gz GZQXDSKUCSRLKM-BZSNNMDCSA-N 1 1 298.430 3.089 20 30 CGEDMO N#Cc1ccc(OCC[N@H+]2CCC[C@@H]2c2cccnc2)cc1 ZINC000346983027 218077652 /nfs/dbraw/zinc/07/76/52/218077652.db2.gz YYAFPICGSIDSQY-GOSISDBHSA-N 1 1 293.370 3.169 20 30 CGEDMO C[C@@]1(CCCO)CCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000274877863 378911137 /nfs/dbraw/zinc/91/11/37/378911137.db2.gz YWKKYUIFVREJRF-INIZCTEOSA-N 1 1 292.810 3.339 20 30 CGEDMO C=C(C)C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000274880004 378913497 /nfs/dbraw/zinc/91/34/97/378913497.db2.gz ZNMLZBMUCSYLGL-WBVHZDCISA-N 1 1 258.409 3.063 20 30 CGEDMO Cc1cccc(C[N@H+](C)[C@@H](C)c2ccc(C#N)cc2)n1 ZINC000347363628 218206973 /nfs/dbraw/zinc/20/69/73/218206973.db2.gz MZZZUVGDHUNGAH-AWEZNQCLSA-N 1 1 265.360 3.455 20 30 CGEDMO CCc1nnc([C@H](C)[NH2+][C@@H](CC)c2ccc(C#N)cc2)[nH]1 ZINC000278818951 194170231 /nfs/dbraw/zinc/17/02/31/194170231.db2.gz SJOQHJHZKPZXIR-FZMZJTMJSA-N 1 1 283.379 3.041 20 30 CGEDMO Cc1cc(C[N@@H+](C)Cc2ccc(O)cc2)ccc1C#N ZINC000349418448 379276224 /nfs/dbraw/zinc/27/62/24/379276224.db2.gz NTPIOFOXDMSTND-UHFFFAOYSA-N 1 1 266.344 3.204 20 30 CGEDMO N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCN2C2CCCCC2)C1 ZINC000373894601 379346725 /nfs/dbraw/zinc/34/67/25/379346725.db2.gz XMSIHABTZRSGJN-SOLBZPMBSA-N 1 1 289.467 3.455 20 30 CGEDMO N#C[C@@H]1CCC[C@H](NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000373894601 379346730 /nfs/dbraw/zinc/34/67/30/379346730.db2.gz XMSIHABTZRSGJN-SOLBZPMBSA-N 1 1 289.467 3.455 20 30 CGEDMO N#C[C@@H]1CCC[C@H](NC[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000373894601 379346732 /nfs/dbraw/zinc/34/67/32/379346732.db2.gz XMSIHABTZRSGJN-SOLBZPMBSA-N 1 1 289.467 3.455 20 30 CGEDMO C[C@]1(c2ccccc2)CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000374268673 379403508 /nfs/dbraw/zinc/40/35/08/379403508.db2.gz FVLSXZDEVNAFFW-KRWDZBQOSA-N 1 1 266.344 3.315 20 30 CGEDMO C[N@H+]1CCC[C@@H]1CCN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000374301772 379413581 /nfs/dbraw/zinc/41/35/81/379413581.db2.gz LBLQLLOCOITGPJ-LJQANCHMSA-N 1 1 295.430 3.132 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1nc2c(cccc2F)n1CC ZINC000279385838 379424513 /nfs/dbraw/zinc/42/45/13/379424513.db2.gz YIRWYZGWMMPKAO-UHFFFAOYSA-N 1 1 273.355 3.039 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1nc2c(cccc2F)n1CC ZINC000279385838 379424521 /nfs/dbraw/zinc/42/45/21/379424521.db2.gz YIRWYZGWMMPKAO-UHFFFAOYSA-N 1 1 273.355 3.039 20 30 CGEDMO CO[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000374682411 379473694 /nfs/dbraw/zinc/47/36/94/379473694.db2.gz ZLLOCZCENPHLEV-INIZCTEOSA-N 1 1 277.795 3.192 20 30 CGEDMO CC(C)(C)[C@H]1CC[N@@H+](CC(C)(C)CCC#N)C[C@@H]1O ZINC000350008440 379476646 /nfs/dbraw/zinc/47/66/46/379476646.db2.gz NVYAFOPFXUGXOO-KBPBESRZSA-N 1 1 266.429 3.045 20 30 CGEDMO Cc1cc(C)c(C#N)c(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)n1 ZINC000376617204 379589678 /nfs/dbraw/zinc/58/96/78/379589678.db2.gz JEFSHKIKCLSAHN-CVEARBPZSA-N 1 1 298.434 3.022 20 30 CGEDMO C[C@@H]([N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-])C(C)(C)C ZINC000570141420 322265874 /nfs/dbraw/zinc/26/58/74/322265874.db2.gz UVMMJJLEEBVGDB-LLVKDONJSA-N 1 1 275.352 3.333 20 30 CGEDMO C[C@@H]([N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-])C(C)(C)C ZINC000570141420 322265876 /nfs/dbraw/zinc/26/58/76/322265876.db2.gz UVMMJJLEEBVGDB-LLVKDONJSA-N 1 1 275.352 3.333 20 30 CGEDMO C=CCCCC(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000267305369 190319918 /nfs/dbraw/zinc/31/99/18/190319918.db2.gz MJNGYJZOEUBHMP-UHFFFAOYSA-N 1 1 288.435 3.499 20 30 CGEDMO C=C(C)[C@@H]1OCC[C@H]1CNc1cc[nH+]cc1Cl ZINC000280754728 379780305 /nfs/dbraw/zinc/78/03/05/379780305.db2.gz MRSRYRRGLFPESW-GWCFXTLKSA-N 1 1 252.745 3.128 20 30 CGEDMO COc1cc(C[N@@H+](C)[C@H](C)c2ccco2)ccc1C#N ZINC000282237683 379879351 /nfs/dbraw/zinc/87/93/51/379879351.db2.gz IVYVPDICJMHSNC-GFCCVEGCSA-N 1 1 270.332 3.353 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000267628918 190342773 /nfs/dbraw/zinc/34/27/73/190342773.db2.gz YUXMFJNSUYFZKI-HNNXBMFYSA-N 1 1 255.365 3.286 20 30 CGEDMO CC(C)CCO[C@@H]1CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000352884607 380017735 /nfs/dbraw/zinc/01/77/35/380017735.db2.gz MGDCFGKNSCBQBY-MRXNPFEDSA-N 1 1 290.382 3.334 20 30 CGEDMO CC(C)CCO[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000352884607 380017740 /nfs/dbraw/zinc/01/77/40/380017740.db2.gz MGDCFGKNSCBQBY-MRXNPFEDSA-N 1 1 290.382 3.334 20 30 CGEDMO CCCC[N@@H+](Cc1cc(C#N)n(C)c1)Cc1ccccc1O ZINC000282976304 380018397 /nfs/dbraw/zinc/01/83/97/380018397.db2.gz JAFUWTAPQDIPQQ-UHFFFAOYSA-N 1 1 297.402 3.405 20 30 CGEDMO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cccc(C#N)c1F ZINC000352887121 380019975 /nfs/dbraw/zinc/01/99/75/380019975.db2.gz JJAJDAKIQVVBHK-UHFFFAOYSA-N 1 1 298.317 3.058 20 30 CGEDMO C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cccc(C#N)c1F ZINC000352887121 380019986 /nfs/dbraw/zinc/01/99/86/380019986.db2.gz JJAJDAKIQVVBHK-UHFFFAOYSA-N 1 1 298.317 3.058 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H]1CCCCO1 ZINC000352945955 380051574 /nfs/dbraw/zinc/05/15/74/380051574.db2.gz HPLXOAGCRYUSRP-QGZVFWFLSA-N 1 1 291.439 3.411 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](COC(F)F)C1 ZINC000353027194 380081147 /nfs/dbraw/zinc/08/11/47/380081147.db2.gz MKVYSBWFUMKJEG-AAEUAGOBSA-N 1 1 280.318 3.180 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cnc2ccc(C)cn12 ZINC000352930254 380045754 /nfs/dbraw/zinc/04/57/54/380045754.db2.gz JPDZLXHOZXIAJI-UHFFFAOYSA-N 1 1 295.386 3.466 20 30 CGEDMO Cc1nnc([C@H](C)[NH2+]CCC2(C#N)CCCCC2)s1 ZINC000411532585 380149242 /nfs/dbraw/zinc/14/92/42/380149242.db2.gz YOCVIRQEJOFHER-NSHDSACASA-N 1 1 278.425 3.361 20 30 CGEDMO CCOC[C@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411299913 380139727 /nfs/dbraw/zinc/13/97/27/380139727.db2.gz BDWTXBDHXVHEAA-HNNXBMFYSA-N 1 1 264.413 3.209 20 30 CGEDMO N#CC1(CC[N@H+]2CC[C@H](Oc3ccncc3)C2)CCCCC1 ZINC000411326625 380141271 /nfs/dbraw/zinc/14/12/71/380141271.db2.gz PYURYDMAGACHME-KRWDZBQOSA-N 1 1 299.418 3.399 20 30 CGEDMO COC1CCC([N@@H+](C)Cc2ccc(F)c(C#N)c2)CC1 ZINC000268193471 190385040 /nfs/dbraw/zinc/38/50/40/190385040.db2.gz GEYNWLUGAJHWTQ-UHFFFAOYSA-N 1 1 276.355 3.087 20 30 CGEDMO CCCC[N@@H+](CCCO)CCC1(C#N)CCCCC1 ZINC000411487585 380148699 /nfs/dbraw/zinc/14/86/99/380148699.db2.gz WDOXNQDFDNAQCT-UHFFFAOYSA-N 1 1 266.429 3.335 20 30 CGEDMO Cc1nsc(NCCCC[N@@H+]2CCCC[C@H]2C)c1C#N ZINC000286226122 380179052 /nfs/dbraw/zinc/17/90/52/380179052.db2.gz HHOWYFWFAPDVNP-GFCCVEGCSA-N 1 1 292.452 3.390 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000411848369 380153020 /nfs/dbraw/zinc/15/30/20/380153020.db2.gz NECQQFNSAPTFSF-GUYCJALGSA-N 1 1 270.376 3.120 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000411848369 380153026 /nfs/dbraw/zinc/15/30/26/380153026.db2.gz NECQQFNSAPTFSF-GUYCJALGSA-N 1 1 270.376 3.120 20 30 CGEDMO C[C@H]([NH2+][C@H](c1nccn1C)C1CC1)c1ccc(C#N)c(F)c1 ZINC000353936446 380244206 /nfs/dbraw/zinc/24/42/06/380244206.db2.gz YTNKMNHFQLCPKI-ZBEGNZNMSA-N 1 1 298.365 3.233 20 30 CGEDMO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2ccccc2C#N)C1(C)C ZINC000353936168 380244313 /nfs/dbraw/zinc/24/43/13/380244313.db2.gz YSTHMRUHMCDYBX-DOTOQJQBSA-N 1 1 272.392 3.194 20 30 CGEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H]4CCCC[C@H]43)n2c1 ZINC000353904052 380227930 /nfs/dbraw/zinc/22/79/30/380227930.db2.gz XHRPTATZGHXFMI-DOTOQJQBSA-N 1 1 294.402 3.361 20 30 CGEDMO C=CCC[N@H+](C)Cc1cn(-c2cccc(F)c2)nc1C ZINC000414427578 380230617 /nfs/dbraw/zinc/23/06/17/380230617.db2.gz AAWARIAMWUMOQE-UHFFFAOYSA-N 1 1 273.355 3.328 20 30 CGEDMO CCOC(=O)c1coc(C[NH2+][C@H](C)c2ccc(C#N)cc2)c1 ZINC000353926465 380239010 /nfs/dbraw/zinc/23/90/10/380239010.db2.gz GIPWPHOWVNCMAO-GFCCVEGCSA-N 1 1 298.342 3.179 20 30 CGEDMO Cc1occc1C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000414447049 380242089 /nfs/dbraw/zinc/24/20/89/380242089.db2.gz WCGJHJIDMGNZIT-UHFFFAOYSA-N 1 1 284.359 3.108 20 30 CGEDMO C[C@H](C#N)C[N@H+](Cc1ccc(OCC(F)F)cc1)C1CC1 ZINC000354034076 380289783 /nfs/dbraw/zinc/28/97/83/380289783.db2.gz OYKOKURIMSWDCK-GFCCVEGCSA-N 1 1 294.345 3.455 20 30 CGEDMO C[C@H](C#N)C[N@@H+](Cc1ccc(OCC(F)F)cc1)C1CC1 ZINC000354034076 380289786 /nfs/dbraw/zinc/28/97/86/380289786.db2.gz OYKOKURIMSWDCK-GFCCVEGCSA-N 1 1 294.345 3.455 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)CCOCC2CC2)cc1 ZINC000354068695 380307684 /nfs/dbraw/zinc/30/76/84/380307684.db2.gz RHRIPUYLDRMUIL-UHFFFAOYSA-N 1 1 275.392 3.110 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1F)C[C@H]1CC[C@@H](C)O1 ZINC000354872581 380560987 /nfs/dbraw/zinc/56/09/87/380560987.db2.gz QKXXQVORSYFZJB-UKRRQHHQSA-N 1 1 263.356 3.381 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@H]1CC[C@@H](C)O1 ZINC000354872581 380560990 /nfs/dbraw/zinc/56/09/90/380560990.db2.gz QKXXQVORSYFZJB-UKRRQHHQSA-N 1 1 263.356 3.381 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC000645246763 380631139 /nfs/dbraw/zinc/63/11/39/380631139.db2.gz FOGSUUMWBYVNDV-HZPDHXFCSA-N 1 1 253.430 3.462 20 30 CGEDMO C=CCCC1(C(=O)NCC[N@H+](C)C2CCCCC2)CC1 ZINC000355181177 380613399 /nfs/dbraw/zinc/61/33/99/380613399.db2.gz XZJBCWINCYXULS-UHFFFAOYSA-N 1 1 278.440 3.114 20 30 CGEDMO CC#CC[C@@H](CO)Nc1cc[nH+]c2cc(Cl)ccc12 ZINC000645404118 380672625 /nfs/dbraw/zinc/67/26/25/380672625.db2.gz UYLFKNJYDFUAOU-LBPRGKRZSA-N 1 1 274.751 3.074 20 30 CGEDMO N#CCCC[N@@H+]1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000419280766 380792370 /nfs/dbraw/zinc/79/23/70/380792370.db2.gz AKXXJCPJTVEUBV-CQSZACIVSA-N 1 1 264.319 3.275 20 30 CGEDMO C[C@H](C[N@H+](C)Cc1nc(C#N)cs1)c1ccccc1 ZINC000356192964 380793149 /nfs/dbraw/zinc/79/31/49/380793149.db2.gz MHWZGPHJXFWZMS-GFCCVEGCSA-N 1 1 271.389 3.250 20 30 CGEDMO C[C@H](C[N@@H+](C)Cc1nc(C#N)cs1)c1ccccc1 ZINC000356192964 380793152 /nfs/dbraw/zinc/79/31/52/380793152.db2.gz MHWZGPHJXFWZMS-GFCCVEGCSA-N 1 1 271.389 3.250 20 30 CGEDMO COCCCC[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000419379136 380822835 /nfs/dbraw/zinc/82/28/35/380822835.db2.gz FBUGUXWXGFWUNA-UHFFFAOYSA-N 1 1 274.408 3.346 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@H](O)CC12CCC2 ZINC000420988601 380867857 /nfs/dbraw/zinc/86/78/57/380867857.db2.gz AOAKARLFKQKRTC-CQSZACIVSA-N 1 1 264.413 3.086 20 30 CGEDMO COc1ccc2c(c1)OC(C)(C)C[N@@H+]([C@H](C)CCC#N)C2 ZINC000421040203 380870235 /nfs/dbraw/zinc/87/02/35/380870235.db2.gz NCCUGOROZGWTSX-CYBMUJFWSA-N 1 1 288.391 3.360 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421020380 380871512 /nfs/dbraw/zinc/87/15/12/380871512.db2.gz RAZMHPPPBHATJR-OAHLLOKOSA-N 1 1 266.429 3.191 20 30 CGEDMO C[C@@H](CNCc1ccc(C#N)c(F)c1)[N@H+]1CCCC[C@@H]1C ZINC000421323726 380874779 /nfs/dbraw/zinc/87/47/79/380874779.db2.gz HCGZCCCLJXJLBO-KBPBESRZSA-N 1 1 289.398 3.050 20 30 CGEDMO C[C@@H](C[NH2+]Cc1ccc(C#N)c(F)c1)N1CCCC[C@@H]1C ZINC000421323726 380874786 /nfs/dbraw/zinc/87/47/86/380874786.db2.gz HCGZCCCLJXJLBO-KBPBESRZSA-N 1 1 289.398 3.050 20 30 CGEDMO C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1CCCCC#N ZINC000420920984 380860213 /nfs/dbraw/zinc/86/02/13/380860213.db2.gz CEVZUTNFLHCZKH-UONOGXRCSA-N 1 1 280.412 3.122 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)cs1)C1CC(OC(C)(C)C)C1 ZINC000421376032 380916486 /nfs/dbraw/zinc/91/64/86/380916486.db2.gz QXJFTTZRVKOXNV-UHFFFAOYSA-N 1 1 278.421 3.398 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000357040612 381006645 /nfs/dbraw/zinc/00/66/45/381006645.db2.gz OFVNUJOBBMUMJW-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C[C@@H]1CCC[C@H](C)[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000357730187 381268118 /nfs/dbraw/zinc/26/81/18/381268118.db2.gz ADQUMLOBFRIDOV-KGLIPLIRSA-N 1 1 285.391 3.007 20 30 CGEDMO C=C(CC)C[N@@H+](C)Cc1cc(Br)cn1C ZINC000358514507 381313909 /nfs/dbraw/zinc/31/39/09/381313909.db2.gz XGOWBAAWABFWFJ-UHFFFAOYSA-N 1 1 271.202 3.186 20 30 CGEDMO C=CC[N@@H+](C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000360173699 381466613 /nfs/dbraw/zinc/46/66/13/381466613.db2.gz QEKQGBSXZOFTRB-UHFFFAOYSA-N 1 1 280.412 3.036 20 30 CGEDMO C=CC[N@H+](Cc1ccc(Cl)cc1OC)C1CC1 ZINC000361305362 381687565 /nfs/dbraw/zinc/68/75/65/381687565.db2.gz MSSHWSIVJHGYTD-UHFFFAOYSA-N 1 1 251.757 3.499 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cncc(C(F)(F)F)c1 ZINC000361317423 381692496 /nfs/dbraw/zinc/69/24/96/381692496.db2.gz AGYINGXSJBXGNC-UHFFFAOYSA-N 1 1 258.287 3.498 20 30 CGEDMO COCC[N@@H+](Cc1cc(C#N)cs1)[C@@H]1CC[C@H](C)C1 ZINC000361626139 381845316 /nfs/dbraw/zinc/84/53/16/381845316.db2.gz BMNNVZGLHFBDDV-GXTWGEPZSA-N 1 1 278.421 3.257 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@H](Cc3ccccc3)C2)cc1C#N ZINC000361575079 381812959 /nfs/dbraw/zinc/81/29/59/381812959.db2.gz ACVBZUFJEZJQCZ-QGZVFWFLSA-N 1 1 293.414 3.351 20 30 CGEDMO CC[N@H+](Cc1ccc(C#N)cc1OC(F)F)C[C@H](C)OC ZINC000361573688 381813735 /nfs/dbraw/zinc/81/37/35/381813735.db2.gz NDLLQRJCBQEIFJ-NSHDSACASA-N 1 1 298.333 3.016 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cc2cc(F)ccc2o1 ZINC000361638464 381849905 /nfs/dbraw/zinc/84/99/05/381849905.db2.gz MAVFJDCBIKZSER-UHFFFAOYSA-N 1 1 263.312 3.206 20 30 CGEDMO COCC[N@@H+](Cc1cc(F)ccc1C#N)[C@H]1CC[C@H](C)C1 ZINC000362147185 381887693 /nfs/dbraw/zinc/88/76/93/381887693.db2.gz DJHSUKRFRQACHY-GUYCJALGSA-N 1 1 290.382 3.334 20 30 CGEDMO Cc1cc([C@@H]2CCC[N@@H+]2CC#Cc2ccccc2)on1 ZINC000361688732 381864148 /nfs/dbraw/zinc/86/41/48/381864148.db2.gz BYRCLBOFNFLLFT-INIZCTEOSA-N 1 1 266.344 3.172 20 30 CGEDMO Cc1cc([C@@H]2CCC[N@H+]2CC#Cc2ccccc2)on1 ZINC000361688732 381864153 /nfs/dbraw/zinc/86/41/53/381864153.db2.gz BYRCLBOFNFLLFT-INIZCTEOSA-N 1 1 266.344 3.172 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@](C)(CC)C1 ZINC000362390380 381970017 /nfs/dbraw/zinc/97/00/17/381970017.db2.gz ITYUFWXDUAAZDL-WBVHZDCISA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@H+](C)[C@@H](C)C(C)C)c1C ZINC000362295476 381932829 /nfs/dbraw/zinc/93/28/29/381932829.db2.gz LWJKBFKRBXPUPB-AWEZNQCLSA-N 1 1 276.424 3.450 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)o1 ZINC000362391028 381972713 /nfs/dbraw/zinc/97/27/13/381972713.db2.gz YBKVMIMSLVPJTQ-MSOLQXFVSA-N 1 1 296.370 3.239 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2nccs2)cc1 ZINC000367377088 382346907 /nfs/dbraw/zinc/34/69/07/382346907.db2.gz GXLYIGRMZUMBCN-OAHLLOKOSA-N 1 1 268.385 3.462 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC[C@@H]2c2nccs2)cc1 ZINC000367377088 382346913 /nfs/dbraw/zinc/34/69/13/382346913.db2.gz GXLYIGRMZUMBCN-OAHLLOKOSA-N 1 1 268.385 3.462 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)c1 ZINC000335367207 208289373 /nfs/dbraw/zinc/28/93/73/208289373.db2.gz DIPXWOMPSNRNJQ-YOEHRIQHSA-N 1 1 288.366 3.088 20 30 CGEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2C#N)C1(C)C ZINC000353778782 220325633 /nfs/dbraw/zinc/32/56/33/220325633.db2.gz FIRSHHCPCVPAMP-HZPDHXFCSA-N 1 1 272.392 3.194 20 30 CGEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2C#N)C1(C)C ZINC000353778783 220326330 /nfs/dbraw/zinc/32/63/30/220326330.db2.gz FIRSHHCPCVPAMP-JKSUJKDBSA-N 1 1 272.392 3.194 20 30 CGEDMO C[C@@H]1C[N@@H+](CCOc2ccccc2C#N)C(C)(C)C1 ZINC000350328167 219009097 /nfs/dbraw/zinc/00/90/97/219009097.db2.gz MRBNPZITVWWLMK-ZDUSSCGKSA-N 1 1 258.365 3.057 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2c2cccc(F)c2)cc1 ZINC000281607500 195306943 /nfs/dbraw/zinc/30/69/43/195306943.db2.gz GRMBDDXTKQMJFF-ROUUACIJSA-N 1 1 296.345 3.005 20 30 CGEDMO COCCCC[N@@H+](Cc1ccccc1)CC1(C#N)CC1 ZINC000347456394 533256693 /nfs/dbraw/zinc/25/66/93/533256693.db2.gz FHBXHCLMJGLDNA-UHFFFAOYSA-N 1 1 272.392 3.219 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000157688617 533270553 /nfs/dbraw/zinc/27/05/53/533270553.db2.gz GQAQCZJGUHPUNS-INIZCTEOSA-N 1 1 281.359 3.232 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000157688617 533270563 /nfs/dbraw/zinc/27/05/63/533270563.db2.gz GQAQCZJGUHPUNS-INIZCTEOSA-N 1 1 281.359 3.232 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)nc1 ZINC000425541623 533546050 /nfs/dbraw/zinc/54/60/50/533546050.db2.gz XBOOMZBNRCTIHZ-CYBMUJFWSA-N 1 1 281.359 3.155 20 30 CGEDMO COc1cc(C)c(C[N@@H+](C)Cc2cccc(C#N)c2)c(C)n1 ZINC000359216942 533569557 /nfs/dbraw/zinc/56/95/57/533569557.db2.gz CGAGRYDZYQMDLM-UHFFFAOYSA-N 1 1 295.386 3.211 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)ccc1Br)C1CCC1 ZINC000191795304 130305462 /nfs/dbraw/zinc/30/54/62/130305462.db2.gz KTTGDEIRVULDCM-UHFFFAOYSA-N 1 1 279.181 3.305 20 30 CGEDMO C[N@H+](Cc1cc(C#N)ccc1Br)C1CCC1 ZINC000191795304 130305461 /nfs/dbraw/zinc/30/54/61/130305461.db2.gz KTTGDEIRVULDCM-UHFFFAOYSA-N 1 1 279.181 3.305 20 30 CGEDMO Cc1cccc(C[N@@H+](C)CCOc2cccc(C#N)c2)c1 ZINC000048336949 391997051 /nfs/dbraw/zinc/99/70/51/391997051.db2.gz YGZZCVLMOKJYIM-UHFFFAOYSA-N 1 1 280.371 3.378 20 30 CGEDMO Cc1cccc(C[N@@H+](C)CCOc2ccccc2C#N)c1 ZINC000048554391 392003678 /nfs/dbraw/zinc/00/36/78/392003678.db2.gz UHELYEKTIYKDGN-UHFFFAOYSA-N 1 1 280.371 3.378 20 30 CGEDMO C[C@@H]1CCC[C@@H]([N@@H+](C)CCOc2ccccc2C#N)C1 ZINC000048554275 392003953 /nfs/dbraw/zinc/00/39/53/392003953.db2.gz MAFWVWRMLKPWER-GDBMZVCRSA-N 1 1 272.392 3.448 20 30 CGEDMO CCOc1cccc(C[N@H+](CCC#N)CC2CC2)c1 ZINC000093091219 392234271 /nfs/dbraw/zinc/23/42/71/392234271.db2.gz HJLXKYNJSZWVNN-UHFFFAOYSA-N 1 1 258.365 3.211 20 30 CGEDMO CCOc1cccc(C[N@@H+](CCC#N)CC2CC2)c1 ZINC000093091219 392234275 /nfs/dbraw/zinc/23/42/75/392234275.db2.gz HJLXKYNJSZWVNN-UHFFFAOYSA-N 1 1 258.365 3.211 20 30 CGEDMO CCC(CC)C[N@H+](CCC#N)Cc1nc(C)ccc1O ZINC000093100984 392234477 /nfs/dbraw/zinc/23/44/77/392234477.db2.gz KBCBDYQCFXYLBD-UHFFFAOYSA-N 1 1 275.396 3.248 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)Cc1nc(C)ccc1O ZINC000093100984 392234478 /nfs/dbraw/zinc/23/44/78/392234478.db2.gz KBCBDYQCFXYLBD-UHFFFAOYSA-N 1 1 275.396 3.248 20 30 CGEDMO CCOCC[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000093317343 392238139 /nfs/dbraw/zinc/23/81/39/392238139.db2.gz QDTUDDUDYAZBRI-UHFFFAOYSA-N 1 1 285.309 3.025 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccc(OCCOC)cc1 ZINC000093533666 392238588 /nfs/dbraw/zinc/23/85/88/392238588.db2.gz OKQWUMFJDOGDNB-UHFFFAOYSA-N 1 1 263.381 3.110 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H](C)c1cnc(OC)c(Cl)c1 ZINC000284068263 392310474 /nfs/dbraw/zinc/31/04/74/392310474.db2.gz AQGVCWSQIHVCNP-QMMMGPOBSA-N 1 1 261.152 3.147 20 30 CGEDMO Cc1ccc2c(c1)CC[N@@H+](Cc1cc(C#N)cs1)C2 ZINC000361729400 392305786 /nfs/dbraw/zinc/30/57/86/392305786.db2.gz UATFXIFOVHFASX-UHFFFAOYSA-N 1 1 268.385 3.487 20 30 CGEDMO Cc1ccc2c(c1)CC[N@H+](Cc1cc(C#N)cs1)C2 ZINC000361729400 392305791 /nfs/dbraw/zinc/30/57/91/392305791.db2.gz UATFXIFOVHFASX-UHFFFAOYSA-N 1 1 268.385 3.487 20 30 CGEDMO CC[N@@H+](Cc1ccncc1)Cc1ccc(C#N)c(F)c1 ZINC000361864991 392349047 /nfs/dbraw/zinc/34/90/47/392349047.db2.gz IBZUXJWJPSABDR-UHFFFAOYSA-N 1 1 269.323 3.114 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@H]1c1nc2cc(C)ccc2[nH]1 ZINC000289465900 392422215 /nfs/dbraw/zinc/42/22/15/392422215.db2.gz YQMIALFSMGTGHF-YOEHRIQHSA-N 1 1 299.418 3.335 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000289465900 392422218 /nfs/dbraw/zinc/42/22/18/392422218.db2.gz YQMIALFSMGTGHF-YOEHRIQHSA-N 1 1 299.418 3.335 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@H]1c1nc2ccc(C)cc2[nH]1 ZINC000289465900 392422224 /nfs/dbraw/zinc/42/22/24/392422224.db2.gz YQMIALFSMGTGHF-YOEHRIQHSA-N 1 1 299.418 3.335 20 30 CGEDMO N#CCCC[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000363501878 392429482 /nfs/dbraw/zinc/42/94/82/392429482.db2.gz DIBUQYXIHZLEOT-CQSZACIVSA-N 1 1 250.292 3.405 20 30 CGEDMO N#CCCC[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000363501878 392429487 /nfs/dbraw/zinc/42/94/87/392429487.db2.gz DIBUQYXIHZLEOT-CQSZACIVSA-N 1 1 250.292 3.405 20 30 CGEDMO CCC[C@@]1(CO)CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000367369647 392476546 /nfs/dbraw/zinc/47/65/46/392476546.db2.gz GGLCRUGEULZGQJ-MRXNPFEDSA-N 1 1 266.429 3.191 20 30 CGEDMO C=CCCCCC[N@H+](C)CC[S@@](=O)c1ccccc1 ZINC000150896883 392483178 /nfs/dbraw/zinc/48/31/78/392483178.db2.gz AEBDZFUBUWBGGS-IBGZPJMESA-N 1 1 279.449 3.472 20 30 CGEDMO N#CCCCC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000374307876 392676651 /nfs/dbraw/zinc/67/66/51/392676651.db2.gz IVJLKPFCTZXJHC-UHFFFAOYSA-N 1 1 265.360 3.341 20 30 CGEDMO Clc1ccc(C#CC[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000374410273 392677638 /nfs/dbraw/zinc/67/76/38/392677638.db2.gz GTALLMVMSOSWQV-CVEARBPZSA-N 1 1 289.806 3.050 20 30 CGEDMO C[N@@H+](CCNC(=O)c1conc1C1CC1)C1CCCCC1 ZINC000329504646 392684349 /nfs/dbraw/zinc/68/43/49/392684349.db2.gz IKFIKYAMSYGNNC-UHFFFAOYSA-N 1 1 291.395 3.121 20 30 CGEDMO N#CC1(NC(=O)C[N@H+]2CCC[C@@H]2C2CCCCC2)CCC1 ZINC000329516165 392685502 /nfs/dbraw/zinc/68/55/02/392685502.db2.gz YTHUMGDHIJWERH-OAHLLOKOSA-N 1 1 289.423 3.434 20 30 CGEDMO COc1ccc(CCC[N@@H+](C)CCCSCC#N)cc1 ZINC000173871774 392630432 /nfs/dbraw/zinc/63/04/32/392630432.db2.gz GKVOVPRBCCOFKZ-UHFFFAOYSA-N 1 1 292.448 3.206 20 30 CGEDMO CC[N@@H+](CCCC#N)Cc1cc(Br)ccc1O ZINC000174422891 392640805 /nfs/dbraw/zinc/64/08/05/392640805.db2.gz RGMUDGFBBLDXPE-UHFFFAOYSA-N 1 1 297.196 3.280 20 30 CGEDMO CC[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C1CC1 ZINC000174817440 392645768 /nfs/dbraw/zinc/64/57/68/392645768.db2.gz SBCLYJZXGFAQCJ-UHFFFAOYSA-N 1 1 295.386 3.222 20 30 CGEDMO CC[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C1CC1 ZINC000174817440 392645771 /nfs/dbraw/zinc/64/57/71/392645771.db2.gz SBCLYJZXGFAQCJ-UHFFFAOYSA-N 1 1 295.386 3.222 20 30 CGEDMO CO[C@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000177113061 392659362 /nfs/dbraw/zinc/65/93/62/392659362.db2.gz ZTEUPTPMQRFJOR-HNNXBMFYSA-N 1 1 297.320 3.168 20 30 CGEDMO C[C@]1(c2ccc(F)cc2)CC[N@@H+](CCCCC#N)C1 ZINC000373788597 392663947 /nfs/dbraw/zinc/66/39/47/392663947.db2.gz ASQLKLYEAHXOJD-INIZCTEOSA-N 1 1 260.356 3.483 20 30 CGEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1c(CC)cccc1CC ZINC000181298560 392726546 /nfs/dbraw/zinc/72/65/46/392726546.db2.gz PHQZXBLYWPVIKV-UHFFFAOYSA-N 1 1 274.408 3.258 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)Nc1c(CC)cccc1CC ZINC000181298560 392726549 /nfs/dbraw/zinc/72/65/49/392726549.db2.gz PHQZXBLYWPVIKV-UHFFFAOYSA-N 1 1 274.408 3.258 20 30 CGEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000181325952 392728050 /nfs/dbraw/zinc/72/80/50/392728050.db2.gz MNGWNGYWONAROF-UHFFFAOYSA-N 1 1 287.190 3.440 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000181325952 392728056 /nfs/dbraw/zinc/72/80/56/392728056.db2.gz MNGWNGYWONAROF-UHFFFAOYSA-N 1 1 287.190 3.440 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+](C)CCC1CCOCC1 ZINC000186256295 392780693 /nfs/dbraw/zinc/78/06/93/392780693.db2.gz PZOLMNNIKFDQQH-UHFFFAOYSA-N 1 1 272.392 3.115 20 30 CGEDMO COC[C@@H]([NH2+]Cc1ccc(C#N)cc1C)c1ccc(C)o1 ZINC000186328069 392782768 /nfs/dbraw/zinc/78/27/68/392782768.db2.gz JBLCQSUUZRHYSA-MRXNPFEDSA-N 1 1 284.359 3.245 20 30 CGEDMO CC[N@@H+](CCc1nccs1)Cc1ccc(C#N)cc1C ZINC000186312222 392782848 /nfs/dbraw/zinc/78/28/48/392782848.db2.gz NJJMUUUSBBAHRM-UHFFFAOYSA-N 1 1 285.416 3.388 20 30 CGEDMO Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H](C)C#N ZINC000191114599 392820290 /nfs/dbraw/zinc/82/02/90/392820290.db2.gz VUAJAEMHOCBNNU-VIFPVBQESA-N 1 1 256.271 3.263 20 30 CGEDMO C=CCNC(=O)C[N@H+](CCC)[C@H](CC)c1ccccc1 ZINC000519907150 392902135 /nfs/dbraw/zinc/90/21/35/392902135.db2.gz MJCODWCBNFHKIH-MRXNPFEDSA-N 1 1 274.408 3.152 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000338362108 392912431 /nfs/dbraw/zinc/91/24/31/392912431.db2.gz TWUDQUMANFOYTH-QWHCGFSZSA-N 1 1 291.357 3.368 20 30 CGEDMO C=CC[NH+](CC=C)CC(=O)NCCCC1CCCCC1 ZINC000514113238 392855580 /nfs/dbraw/zinc/85/55/80/392855580.db2.gz QEPQDVDKZZZDDO-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCC[N@H+](Cc1ccc(OC)cc1)[C@@H](CO)C(C)C ZINC000338571422 392921278 /nfs/dbraw/zinc/92/12/78/392921278.db2.gz WOHMNTYCKBZGSW-KRWDZBQOSA-N 1 1 277.408 3.090 20 30 CGEDMO C=CCOCC[N@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000338941424 392936713 /nfs/dbraw/zinc/93/67/13/392936713.db2.gz HMJNZBRPWNCHGK-UHFFFAOYSA-N 1 1 281.421 3.052 20 30 CGEDMO C=CCOCC[N@H+](C)Cc1ccccc1OC(F)(F)F ZINC000338890233 392933637 /nfs/dbraw/zinc/93/36/37/392933637.db2.gz NWYJXAAWLJQHJE-UHFFFAOYSA-N 1 1 289.297 3.220 20 30 CGEDMO CC(C)C[C@@H]1CCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000396863644 392943969 /nfs/dbraw/zinc/94/39/69/392943969.db2.gz JEPZJUZPSRNXTC-INIZCTEOSA-N 1 1 272.392 3.448 20 30 CGEDMO CC(C)(C)C[N@@H+](CCOCCC#N)Cc1ccccc1 ZINC000338962829 392938194 /nfs/dbraw/zinc/93/81/94/392938194.db2.gz ISGLNBOOBNLHDY-UHFFFAOYSA-N 1 1 274.408 3.465 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](Oc3ccccc3)C2)C1 ZINC000338997597 392939437 /nfs/dbraw/zinc/93/94/37/392939437.db2.gz PJQXOBFQGCZPJT-VYDXJSESSA-N 1 1 270.376 3.222 20 30 CGEDMO C=CCOCC[N@@H+]1CCS[C@@H](C)[C@@H]1c1ccccc1 ZINC000339002841 392939857 /nfs/dbraw/zinc/93/98/57/392939857.db2.gz LQTYGZTXYCRNHF-GOEBONIOSA-N 1 1 277.433 3.368 20 30 CGEDMO CC[C@H](Cc1ccccc1)[N@@H+](CC)CCOCCC#N ZINC000339020399 392941983 /nfs/dbraw/zinc/94/19/83/392941983.db2.gz ZYOAQLDHFKZITJ-QGZVFWFLSA-N 1 1 274.408 3.260 20 30 CGEDMO CCC[N@H+](Cc1cccc(C#N)c1F)C[C@H]1CCCCO1 ZINC000340840034 392980047 /nfs/dbraw/zinc/98/00/47/392980047.db2.gz ZIOVCNWNWOLIHZ-MRXNPFEDSA-N 1 1 290.382 3.478 20 30 CGEDMO CC[C@@]1(C)C[N@@H+](CCC2(C#N)CCCCC2)CCO1 ZINC000411627039 392982180 /nfs/dbraw/zinc/98/21/80/392982180.db2.gz XVGSJZOCUQIEQM-HNNXBMFYSA-N 1 1 264.413 3.351 20 30 CGEDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411670679 392984136 /nfs/dbraw/zinc/98/41/36/392984136.db2.gz LGMJVFMBSQIKLZ-HZPDHXFCSA-N 1 1 278.440 3.476 20 30 CGEDMO CC(C)[C@@H]1CN(CCC2(C#N)CCCCC2)CC[N@H+]1C ZINC000411632957 392984212 /nfs/dbraw/zinc/98/42/12/392984212.db2.gz NCADUOVULOUDPV-INIZCTEOSA-N 1 1 277.456 3.123 20 30 CGEDMO CC(C)[C@@H]1C[N@H+](CCC2(C#N)CCCCC2)CCN1C ZINC000411632957 392984218 /nfs/dbraw/zinc/98/42/18/392984218.db2.gz NCADUOVULOUDPV-INIZCTEOSA-N 1 1 277.456 3.123 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)CCN1C ZINC000411632957 392984226 /nfs/dbraw/zinc/98/42/26/392984226.db2.gz NCADUOVULOUDPV-INIZCTEOSA-N 1 1 277.456 3.123 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411961099 392991041 /nfs/dbraw/zinc/99/10/41/392991041.db2.gz ZLWABERVMFRJBY-HZPDHXFCSA-N 1 1 272.392 3.124 20 30 CGEDMO C=CCCC[N@H+]([C@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000411910279 392991363 /nfs/dbraw/zinc/99/13/63/392991363.db2.gz UMPBGQLWJRNVKM-GFCCVEGCSA-N 1 1 253.386 3.147 20 30 CGEDMO COc1cc(C#N)ccc1OCC[N@@H+](CC1CC1)C(C)C ZINC000533358561 392995925 /nfs/dbraw/zinc/99/59/25/392995925.db2.gz ZUSLNMDTLPGPHV-UHFFFAOYSA-N 1 1 288.391 3.066 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@]3(C2)CCCOC3)cc1 ZINC000342835358 393008110 /nfs/dbraw/zinc/00/81/10/393008110.db2.gz DPOKCZCHDKAEKK-SFHVURJKSA-N 1 1 287.403 3.254 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2ncc(C)n2C)CCCC1(C)C ZINC000342848826 393011482 /nfs/dbraw/zinc/01/14/82/393011482.db2.gz RJZXAKKWIMYGOF-AWEZNQCLSA-N 1 1 261.413 3.295 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)CCOc1cccc(F)c1 ZINC000346307900 393082222 /nfs/dbraw/zinc/08/22/22/393082222.db2.gz FRZOKRDZCDZZIU-UHFFFAOYSA-N 1 1 278.371 3.466 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)CCOc1cccc(F)c1 ZINC000346307900 393082230 /nfs/dbraw/zinc/08/22/30/393082230.db2.gz FRZOKRDZCDZZIU-UHFFFAOYSA-N 1 1 278.371 3.466 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000348224006 393118590 /nfs/dbraw/zinc/11/85/90/393118590.db2.gz BGAPFZGAMZAJCT-PBFPGSCMSA-N 1 1 270.376 3.119 20 30 CGEDMO C=C(C)C[N@@H+](C/C=C\c1ccncc1)Cc1ccc(CO)o1 ZINC000348638966 393127144 /nfs/dbraw/zinc/12/71/44/393127144.db2.gz CKBYBZMAXNPMOO-ARJAWSKDSA-N 1 1 298.386 3.258 20 30 CGEDMO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000349379147 393146702 /nfs/dbraw/zinc/14/67/02/393146702.db2.gz AHGFDMOGVRRVOT-AWEZNQCLSA-N 1 1 294.439 3.370 20 30 CGEDMO CC(C)(O)C[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000271574557 393251929 /nfs/dbraw/zinc/25/19/29/393251929.db2.gz QFBUKMRUMPGBRX-UHFFFAOYSA-N 1 1 294.398 3.331 20 30 CGEDMO C=C(CNC(=O)C[C@@H](C)n1cc[nH+]c1CC)c1ccccc1 ZINC000648904817 393286190 /nfs/dbraw/zinc/28/61/90/393286190.db2.gz VITUNPLOGPYZCO-OAHLLOKOSA-N 1 1 297.402 3.226 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000274765676 393289159 /nfs/dbraw/zinc/28/91/59/393289159.db2.gz GBZWDANPQBEAFT-SCLBCKFNSA-N 1 1 265.422 3.383 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000649318249 393400039 /nfs/dbraw/zinc/40/00/39/393400039.db2.gz IAIBWUFDTTXNID-HNNXBMFYSA-N 1 1 284.407 3.265 20 30 CGEDMO C[C@@H]1C[C@H](Nc2cc(C#N)ccc2C(F)(F)F)CC[N@H+]1C ZINC000475516757 393406237 /nfs/dbraw/zinc/40/62/37/393406237.db2.gz OBENEVYQCOKBSO-ZYHUDNBSSA-N 1 1 297.324 3.472 20 30 CGEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@H]1CC[C@H](C)C1 ZINC000429567408 393481703 /nfs/dbraw/zinc/48/17/03/393481703.db2.gz XMENNIGFTKPGJI-ZFWWWQNUSA-N 1 1 288.391 3.066 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@H]1CC[C@H](C)C1 ZINC000429565175 393482675 /nfs/dbraw/zinc/48/26/75/393482675.db2.gz HBHJVNRADIYNOY-WFASDCNBSA-N 1 1 258.365 3.187 20 30 CGEDMO Cc1cnc(CC[N@H+](C)Cc2ccc(C#N)c(C)c2)s1 ZINC000488105932 393459455 /nfs/dbraw/zinc/45/94/55/393459455.db2.gz OQLKBZNQNIXZLW-UHFFFAOYSA-N 1 1 285.416 3.306 20 30 CGEDMO Cc1cc(C[N@H+]2CCSC(C)(C)C2)ccc1C#N ZINC000488200642 393469383 /nfs/dbraw/zinc/46/93/83/393469383.db2.gz LEKUZLWINMBKLY-UHFFFAOYSA-N 1 1 260.406 3.194 20 30 CGEDMO CC[C@H]1C[N@@H+](Cc2ccc(C#N)c(C)c2)CCS1 ZINC000488415988 393504644 /nfs/dbraw/zinc/50/46/44/393504644.db2.gz HXTMIJDHWPGMMC-HNNXBMFYSA-N 1 1 260.406 3.194 20 30 CGEDMO CC(C)(C)C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000488681032 393544855 /nfs/dbraw/zinc/54/48/55/393544855.db2.gz FXRSMNXFMRKSDJ-MRXNPFEDSA-N 1 1 299.418 3.397 20 30 CGEDMO C[C@H]1COc2ccccc2C[N@H+]1Cc1ccc(C#N)cc1 ZINC000359863997 393555722 /nfs/dbraw/zinc/55/57/22/393555722.db2.gz YYFACQKKVONYTP-AWEZNQCLSA-N 1 1 278.355 3.341 20 30 CGEDMO COc1cc(C[N@@H+](CC2CC2)C2CCC2)ccc1C#N ZINC000443071069 393742647 /nfs/dbraw/zinc/74/26/47/393742647.db2.gz RZZRTXVJYNAAFI-UHFFFAOYSA-N 1 1 270.376 3.331 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1cccnc1)c1ccc(Cl)cc1 ZINC000491461405 393691272 /nfs/dbraw/zinc/69/12/72/393691272.db2.gz DQRKBUMJXRLVQO-OAHLLOKOSA-N 1 1 256.736 3.199 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCCSCC#N ZINC000425540500 393697910 /nfs/dbraw/zinc/69/79/10/393697910.db2.gz VOGGYPFJGJLACE-CYBMUJFWSA-N 1 1 273.405 3.198 20 30 CGEDMO CCc1cnc(C[NH2+]Cc2ccc(C#N)c(C)c2)s1 ZINC000443994574 393781358 /nfs/dbraw/zinc/78/13/58/393781358.db2.gz DZIKNXZKEZBFRU-UHFFFAOYSA-N 1 1 271.389 3.175 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CCC[N@H+](CC)C2)CCCCC1 ZINC000448916713 393873166 /nfs/dbraw/zinc/87/31/66/393873166.db2.gz HSCIHXZCEKCDMS-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CCC[N@H+](CC)C2)CCCCC1 ZINC000448916714 393873250 /nfs/dbraw/zinc/87/32/50/393873250.db2.gz HSCIHXZCEKCDMS-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO CO[C@@H]1C[C@H]([N@@H+](C)Cc2cc(C#N)cs2)C12CCC2 ZINC000449627821 393926260 /nfs/dbraw/zinc/92/62/60/393926260.db2.gz AUTPICMDGZSDLG-UONOGXRCSA-N 1 1 276.405 3.009 20 30 CGEDMO C=CCCCCC[N@@H+](C)Cc1cn(C2CCC2)nn1 ZINC000667650132 542905124 /nfs/dbraw/zinc/90/51/24/542905124.db2.gz NAAUCBXPMHDAMF-UHFFFAOYSA-N 1 1 262.401 3.181 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cn(C2CCC2)nn1 ZINC000667650132 542905127 /nfs/dbraw/zinc/90/51/27/542905127.db2.gz NAAUCBXPMHDAMF-UHFFFAOYSA-N 1 1 262.401 3.181 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cc2ccc(C)cc2[nH]1 ZINC000668054821 542962816 /nfs/dbraw/zinc/96/28/16/542962816.db2.gz HYYSLDDDDVSFCW-UHFFFAOYSA-N 1 1 258.365 3.111 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2c(C)nn(CC)c2C)C1 ZINC000668493065 543020071 /nfs/dbraw/zinc/02/00/71/543020071.db2.gz JOFRTGKYZDYWJC-HNNXBMFYSA-N 1 1 261.413 3.308 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2c(C)nn(CC)c2C)C1 ZINC000668493068 543020530 /nfs/dbraw/zinc/02/05/30/543020530.db2.gz JOFRTGKYZDYWJC-OAHLLOKOSA-N 1 1 261.413 3.308 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2C[C@]3(C)COC[C@]3(C)C2)c1 ZINC000668516595 543022614 /nfs/dbraw/zinc/02/26/14/543022614.db2.gz VQCVNSBGSROGMW-HDICACEKSA-N 1 1 287.403 3.110 20 30 CGEDMO OCC[C@H]1CCCCC[N@H+]1CC#Cc1ccccc1Cl ZINC000671247177 543164845 /nfs/dbraw/zinc/16/48/45/543164845.db2.gz YDZNVUMKMUMPKB-MRXNPFEDSA-N 1 1 291.822 3.319 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000047959613 397636146 /nfs/dbraw/zinc/63/61/46/397636146.db2.gz PJBRNBAHPAMBCC-MRXNPFEDSA-N 1 1 288.435 3.412 20 30 CGEDMO C=CCC[C@H](NC[C@@H](C)[N@H+](C)C1CC1)c1ccco1 ZINC000286270989 397671567 /nfs/dbraw/zinc/67/15/67/397671567.db2.gz VJDHIBZKMDZZSC-HIFRSBDPSA-N 1 1 262.397 3.359 20 30 CGEDMO C=CCC[C@H](NC[C@@H](C)[N@@H+](C)C1CC1)c1ccco1 ZINC000286270989 397671568 /nfs/dbraw/zinc/67/15/68/397671568.db2.gz VJDHIBZKMDZZSC-HIFRSBDPSA-N 1 1 262.397 3.359 20 30 CGEDMO C=CCC[C@H](NCC1=CC[N@H+](C)CC1)c1ccco1 ZINC000286306669 397671591 /nfs/dbraw/zinc/67/15/91/397671591.db2.gz XIHCZLWJRBMLPT-HNNXBMFYSA-N 1 1 260.381 3.138 20 30 CGEDMO C=CCC[C@H](NCC1=CC[N@@H+](C)CC1)c1ccco1 ZINC000286306669 397671592 /nfs/dbraw/zinc/67/15/92/397671592.db2.gz XIHCZLWJRBMLPT-HNNXBMFYSA-N 1 1 260.381 3.138 20 30 CGEDMO C=CCCCC[N@@H+]1CCN(C)C[C@@H]1Cc1ccccc1 ZINC000649827423 397731198 /nfs/dbraw/zinc/73/11/98/397731198.db2.gz OBNDQZBJXDRJEO-SFHVURJKSA-N 1 1 272.436 3.201 20 30 CGEDMO C[N@@H+](CC#Cc1ccccc1Cl)CCOC(C)(C)C ZINC000676716035 543412585 /nfs/dbraw/zinc/41/25/85/543412585.db2.gz YHIVNFMYWZEHKX-UHFFFAOYSA-N 1 1 279.811 3.438 20 30 CGEDMO C[N@H+](CC#Cc1ccccc1Cl)CCOC(C)(C)C ZINC000676716035 543412587 /nfs/dbraw/zinc/41/25/87/543412587.db2.gz YHIVNFMYWZEHKX-UHFFFAOYSA-N 1 1 279.811 3.438 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000677802174 543466128 /nfs/dbraw/zinc/46/61/28/543466128.db2.gz FFZVMKYEBOQQBA-ZDUSSCGKSA-N 1 1 274.191 3.362 20 30 CGEDMO CCC#C[C@H](C)[N@H+](C)Cc1ccc(Br)o1 ZINC000677802604 543466804 /nfs/dbraw/zinc/46/68/04/543466804.db2.gz UZOLTWVHUCOWMK-JTQLQIEISA-N 1 1 270.170 3.276 20 30 CGEDMO CCC#C[C@H](C)[N@@H+](C)Cc1ccc(Br)o1 ZINC000677802604 543466805 /nfs/dbraw/zinc/46/68/05/543466805.db2.gz UZOLTWVHUCOWMK-JTQLQIEISA-N 1 1 270.170 3.276 20 30 CGEDMO COCC#CC[N@@H+](Cc1cccc(F)c1)C1CCCC1 ZINC000677818686 543468209 /nfs/dbraw/zinc/46/82/09/543468209.db2.gz FXAQXOFFSUMHNQ-UHFFFAOYSA-N 1 1 275.367 3.220 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000678715843 543550614 /nfs/dbraw/zinc/55/06/14/543550614.db2.gz FYDNZOBNVVJAEB-SRVKXCTJSA-N 1 1 265.319 3.383 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000678715843 543550617 /nfs/dbraw/zinc/55/06/17/543550617.db2.gz FYDNZOBNVVJAEB-SRVKXCTJSA-N 1 1 265.319 3.383 20 30 CGEDMO C[N@H+](CCOc1ccccc1)Cc1ccc(C#N)cc1F ZINC000073181130 287001678 /nfs/dbraw/zinc/00/16/78/287001678.db2.gz HUTVMUFKGFFNCN-UHFFFAOYSA-N 1 1 284.334 3.208 20 30 CGEDMO C[N@@H+](CCOc1ccccc1)Cc1ccc(C#N)cc1F ZINC000073181130 287001681 /nfs/dbraw/zinc/00/16/81/287001681.db2.gz HUTVMUFKGFFNCN-UHFFFAOYSA-N 1 1 284.334 3.208 20 30 CGEDMO C[C@@H](NCCC[N@H+]1CCCC[C@H]1C)c1cccc(C#N)c1 ZINC000249315621 287025271 /nfs/dbraw/zinc/02/52/71/287025271.db2.gz NNMFLLLWHNSADL-HZPDHXFCSA-N 1 1 285.435 3.473 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCOC3(CCCCC3)C2)cc1 ZINC000075832442 165105959 /nfs/dbraw/zinc/10/59/59/165105959.db2.gz RHBDASSUYMVOIJ-UHFFFAOYSA-N 1 1 270.376 3.093 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCOC3(CCCCC3)C2)cc1 ZINC000075832442 165105962 /nfs/dbraw/zinc/10/59/62/165105962.db2.gz RHBDASSUYMVOIJ-UHFFFAOYSA-N 1 1 270.376 3.093 20 30 CGEDMO C[NH+](C)[C@@H](CNCc1cccc(C#N)c1)C1CCCCC1 ZINC000078484660 165134048 /nfs/dbraw/zinc/13/40/48/165134048.db2.gz LXAOKAZGHQRYHP-SFHVURJKSA-N 1 1 285.435 3.158 20 30 CGEDMO CC(C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000080642947 165157266 /nfs/dbraw/zinc/15/72/66/165157266.db2.gz QRQYKJAVONZONV-GJZGRUSLSA-N 1 1 299.418 3.253 20 30 CGEDMO CCC[C@@H](C)[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000036790604 172710230 /nfs/dbraw/zinc/71/02/30/172710230.db2.gz VSBXTHXPXPBZBN-CYBMUJFWSA-N 1 1 273.380 3.007 20 30 CGEDMO CC(C)N(CC[NH2+][C@H](C)c1cccc(C#N)c1)C(C)C ZINC000037188748 173018860 /nfs/dbraw/zinc/01/88/60/173018860.db2.gz LQKYYEDGOQETOH-OAHLLOKOSA-N 1 1 273.424 3.328 20 30 CGEDMO CC[C@H]1C[N@@H+](CCCOc2cccc(C#N)c2)CCS1 ZINC000127307880 287285424 /nfs/dbraw/zinc/28/54/24/287285424.db2.gz PPUUFHRQGABTHM-INIZCTEOSA-N 1 1 290.432 3.155 20 30 CGEDMO Cc1ccccc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000038977785 174160800 /nfs/dbraw/zinc/16/08/00/174160800.db2.gz MCDBYCCMQDMOAV-UHFFFAOYSA-N 1 1 250.345 3.499 20 30 CGEDMO C[C@@H]1C[C@H](Nc2ccc(C(F)(F)F)cc2C#N)CC[N@H+]1C ZINC000127657341 287293217 /nfs/dbraw/zinc/29/32/17/287293217.db2.gz AAHSWOPVNUYDSM-ZWNOBZJWSA-N 1 1 297.324 3.472 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000342734304 416541346 /nfs/dbraw/zinc/54/13/46/416541346.db2.gz JPYFFTDBAXNMIM-OLZOCXBDSA-N 1 1 294.826 3.414 20 30 CGEDMO C=CCc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)cc(OC)c1O ZINC000679361434 543628564 /nfs/dbraw/zinc/62/85/64/543628564.db2.gz YKNTWQSBLGOGAF-DOMZBBRYSA-N 1 1 293.382 3.309 20 30 CGEDMO C=CCc1cc(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)cc(OC)c1O ZINC000679361434 543628567 /nfs/dbraw/zinc/62/85/67/543628567.db2.gz YKNTWQSBLGOGAF-DOMZBBRYSA-N 1 1 293.382 3.309 20 30 CGEDMO CO[C@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)CC1 ZINC000679952581 543670238 /nfs/dbraw/zinc/67/02/38/543670238.db2.gz ALFSJJZIISLJGP-HNNXBMFYSA-N 1 1 277.795 3.192 20 30 CGEDMO C=CCOCC[NH2+][C@H](c1ccccc1)c1ccc(F)cn1 ZINC000680349840 543701965 /nfs/dbraw/zinc/70/19/65/543701965.db2.gz RIFXTPNZWIJPBX-QGZVFWFLSA-N 1 1 286.350 3.102 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CC[C@]2(C1)c1ccccc1NC2=O ZINC000681698273 543803024 /nfs/dbraw/zinc/80/30/24/543803024.db2.gz COGYMYKMYBQJOH-KSSFIOAISA-N 1 1 284.403 3.327 20 30 CGEDMO CC(C)C[N@H+]1CCCC[C@@H]1CNCc1ccc(C#N)cc1 ZINC000130865024 287365286 /nfs/dbraw/zinc/36/52/86/287365286.db2.gz ICKVZNXJXWTTLG-GOSISDBHSA-N 1 1 285.435 3.158 20 30 CGEDMO CC(C)CN1CCCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC000130865024 287365288 /nfs/dbraw/zinc/36/52/88/287365288.db2.gz ICKVZNXJXWTTLG-GOSISDBHSA-N 1 1 285.435 3.158 20 30 CGEDMO C=CC[C@H]1[N@H+](CCCN2CCCC2=O)CCCC1(C)C ZINC000683528254 543921639 /nfs/dbraw/zinc/92/16/39/543921639.db2.gz HOZCSAPWMYXXHF-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+]1C[C@@H](c2ccc(C)cc2)C[C@H]1C ZINC000683800297 543942581 /nfs/dbraw/zinc/94/25/81/543942581.db2.gz KMPVUOCTZQNISC-PVAVHDDUSA-N 1 1 259.393 3.110 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1cn2cccc(C)c2n1 ZINC000683793143 543942935 /nfs/dbraw/zinc/94/29/35/543942935.db2.gz RIKKNIIEMYDMME-HNNXBMFYSA-N 1 1 255.365 3.183 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cn2cccc(C)c2n1 ZINC000683793143 543942938 /nfs/dbraw/zinc/94/29/38/543942938.db2.gz RIKKNIIEMYDMME-HNNXBMFYSA-N 1 1 255.365 3.183 20 30 CGEDMO COC[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(C)o1 ZINC000347636550 226206603 /nfs/dbraw/zinc/20/66/03/226206603.db2.gz MJUDVRQXOOHGEY-MRXNPFEDSA-N 1 1 284.359 3.131 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CCCC1 ZINC000654315588 418958516 /nfs/dbraw/zinc/95/85/16/418958516.db2.gz SXIIDOGELSRDAV-HOTGVXAUSA-N 1 1 290.451 3.256 20 30 CGEDMO C=CCCC(C)(C)NC(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000664757998 419000472 /nfs/dbraw/zinc/00/04/72/419000472.db2.gz GIHJTEDHDIXYNS-OAHLLOKOSA-N 1 1 293.455 3.047 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1F)[C@@H]1COC(C)(C)C1 ZINC000659852311 419013026 /nfs/dbraw/zinc/01/30/26/419013026.db2.gz MYJUMDYIFVHZIH-AWEZNQCLSA-N 1 1 263.356 3.381 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1F)[C@@H]1COC(C)(C)C1 ZINC000659852311 419013028 /nfs/dbraw/zinc/01/30/28/419013028.db2.gz MYJUMDYIFVHZIH-AWEZNQCLSA-N 1 1 263.356 3.381 20 30 CGEDMO C=CCCn1cc(C[NH2+]C2(c3cccc(C)c3)CCC2)nn1 ZINC000653775964 419083810 /nfs/dbraw/zinc/08/38/10/419083810.db2.gz LTQILQYFIKOFRE-UHFFFAOYSA-N 1 1 296.418 3.332 20 30 CGEDMO C=CC[N@@H+](CCOC)Cc1cn(-c2ccc(C)cc2)nc1C ZINC000656257474 419159380 /nfs/dbraw/zinc/15/93/80/419159380.db2.gz ISZSTNVLTSTPOJ-UHFFFAOYSA-N 1 1 299.418 3.124 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cn(-c2ccc(C)cc2)nc1C ZINC000656257474 419159383 /nfs/dbraw/zinc/15/93/83/419159383.db2.gz ISZSTNVLTSTPOJ-UHFFFAOYSA-N 1 1 299.418 3.124 20 30 CGEDMO C=C(CC)Cn1cc(C[N@@H+](C)C2CCCCC2)nn1 ZINC000656452530 419172298 /nfs/dbraw/zinc/17/22/98/419172298.db2.gz IIZKRKCBBBLYDC-UHFFFAOYSA-N 1 1 262.401 3.009 20 30 CGEDMO C=CC[N@H+](Cc1ncccc1C(F)(F)F)[C@@H](C)COC ZINC000661238961 419243450 /nfs/dbraw/zinc/24/34/50/419243450.db2.gz AVKRRFWBAQXUCT-NSHDSACASA-N 1 1 288.313 3.123 20 30 CGEDMO C=CC[N@@H+](Cc1ncccc1C(F)(F)F)[C@@H](C)COC ZINC000661238961 419243451 /nfs/dbraw/zinc/24/34/51/419243451.db2.gz AVKRRFWBAQXUCT-NSHDSACASA-N 1 1 288.313 3.123 20 30 CGEDMO C=CC[N@@H+](Cc1cc2ccccc2o1)[C@H](C)COC ZINC000661243667 419243933 /nfs/dbraw/zinc/24/39/33/419243933.db2.gz LQHGQMZRNGFMCJ-CYBMUJFWSA-N 1 1 259.349 3.456 20 30 CGEDMO C=CC[N@@H+](Cc1cc(F)cc2cccnc21)[C@@H](C)COC ZINC000661243416 419244097 /nfs/dbraw/zinc/24/40/97/419244097.db2.gz KUJUAZMMNUSNKP-ZDUSSCGKSA-N 1 1 288.366 3.397 20 30 CGEDMO C=CC[N@@H+](C[C@H]1CCC2(CCCC2)O1)[C@H](C)COC ZINC000661241438 419244726 /nfs/dbraw/zinc/24/47/26/419244726.db2.gz YFGODUQAFALRBA-HUUCEWRRSA-N 1 1 267.413 3.001 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2c(C)nc3ccccn32)C1 ZINC000661381215 419255351 /nfs/dbraw/zinc/25/53/51/419255351.db2.gz XRWQXCGMCHRTDA-HNNXBMFYSA-N 1 1 269.392 3.431 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@H](C(=O)N(C)C)c2ccccc2)C1 ZINC000661378197 419255939 /nfs/dbraw/zinc/25/59/39/419255939.db2.gz ADOOTZQLTADSSP-RDJZCZTQSA-N 1 1 286.419 3.104 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(F)c2)C1 ZINC000661379215 419256081 /nfs/dbraw/zinc/25/60/81/419256081.db2.gz VVNPQWRMHXNZDA-CYBMUJFWSA-N 1 1 276.355 3.052 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2cc3n(n2)CCCC3)C1 ZINC000661386312 419256717 /nfs/dbraw/zinc/25/67/17/419256717.db2.gz ROKSSDMBZBYYHM-CQSZACIVSA-N 1 1 259.397 3.008 20 30 CGEDMO Cc1[nH+]c2c(n1CC#Cc1ccc(F)cc1)CCCC2 ZINC000657261590 419239183 /nfs/dbraw/zinc/23/91/83/419239183.db2.gz JHHAXSJMIDHTOO-UHFFFAOYSA-N 1 1 268.335 3.261 20 30 CGEDMO C=CC[N@H+](Cc1ncnn1-c1ccccc1)C(C)(C)C ZINC000661759885 419295655 /nfs/dbraw/zinc/29/56/55/419295655.db2.gz LDBMURUYKPIFAA-UHFFFAOYSA-N 1 1 270.380 3.054 20 30 CGEDMO C=CC[N@@H+](Cc1ncnn1-c1ccccc1)C(C)(C)C ZINC000661759885 419295658 /nfs/dbraw/zinc/29/56/58/419295658.db2.gz LDBMURUYKPIFAA-UHFFFAOYSA-N 1 1 270.380 3.054 20 30 CGEDMO C[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000661859493 419305522 /nfs/dbraw/zinc/30/55/22/419305522.db2.gz YSAHTWOJFZGVPE-KGLIPLIRSA-N 1 1 277.795 3.191 20 30 CGEDMO C=CCOc1ccc(CN[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000657563272 419306345 /nfs/dbraw/zinc/30/63/45/419306345.db2.gz RBUWQKZRKBMLGM-MRXNPFEDSA-N 1 1 288.435 3.214 20 30 CGEDMO C=CCOc1ccc(CN[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000657563272 419306350 /nfs/dbraw/zinc/30/63/50/419306350.db2.gz RBUWQKZRKBMLGM-MRXNPFEDSA-N 1 1 288.435 3.214 20 30 CGEDMO C=CCCC1(C[NH2+]Cc2nnn(C(C)(C)C)n2)CCCC1 ZINC000657566998 419307914 /nfs/dbraw/zinc/30/79/14/419307914.db2.gz HIWUGBOISHWGIM-UHFFFAOYSA-N 1 1 291.443 3.044 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnc(-c2ccccc2)o1 ZINC000662081815 419333440 /nfs/dbraw/zinc/33/34/40/419333440.db2.gz SEYKHAOIGONWOP-GASCZTMLSA-N 1 1 281.359 3.420 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](Cc1ccccc1)OC ZINC000662089529 419334508 /nfs/dbraw/zinc/33/45/08/419334508.db2.gz BSLFSNBRJZZYRJ-KSZLIROESA-N 1 1 271.404 3.427 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(OCC)n1 ZINC000662091296 419334621 /nfs/dbraw/zinc/33/46/21/419334621.db2.gz WTXLKIZMYFXZJZ-GASCZTMLSA-N 1 1 258.365 3.163 20 30 CGEDMO C=CCNC(=O)C[N@@H+](C(C)C)[C@@H](CC)c1ccccc1 ZINC000662109669 419336269 /nfs/dbraw/zinc/33/62/69/419336269.db2.gz ZOUGJKACEYEDCL-INIZCTEOSA-N 1 1 274.408 3.150 20 30 CGEDMO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)Cc1cc(C)[nH]n1 ZINC000657929616 419444805 /nfs/dbraw/zinc/44/48/05/419444805.db2.gz SQEACHNBXKZOSN-BJJXKVORSA-N 1 1 261.413 3.374 20 30 CGEDMO C=CCCCCCN(C)C(=O)[C@H]([NH3+])c1ccc(F)cc1F ZINC000662612305 419463404 /nfs/dbraw/zinc/46/34/04/419463404.db2.gz OADBWBMOLSJKLU-OAHLLOKOSA-N 1 1 296.361 3.169 20 30 CGEDMO C=C(C)COCCNc1cc(C(F)(F)F)cc(C)[nH+]1 ZINC000663719151 419692669 /nfs/dbraw/zinc/69/26/69/419692669.db2.gz HZLHKQIGDWIZFN-UHFFFAOYSA-N 1 1 274.286 3.413 20 30 CGEDMO C=CC[N@@H+](CCCCC1(C)OCCO1)CCc1ccco1 ZINC000298440940 260154707 /nfs/dbraw/zinc/15/47/07/260154707.db2.gz NKLXSIUVQNRIJN-UHFFFAOYSA-N 1 1 293.407 3.243 20 30 CGEDMO C[C@@H]1CCC[N@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000072874908 260279170 /nfs/dbraw/zinc/27/91/70/260279170.db2.gz CAQDLMDQSWAHLV-CQSZACIVSA-N 1 1 295.386 3.222 20 30 CGEDMO COc1cccc([C@H]2C[C@H](C)C[N@H+]2CCCC#N)c1 ZINC000360464450 261064366 /nfs/dbraw/zinc/06/43/66/261064366.db2.gz CEAGBUAIQIMSCS-XJKSGUPXSA-N 1 1 258.365 3.382 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCCC[C@@H]2C[C@@H](C)O)cc1 ZINC000448355858 261126441 /nfs/dbraw/zinc/12/64/41/261126441.db2.gz QBWBUBSNSRBSAY-NVXWUHKLSA-N 1 1 289.419 3.377 20 30 CGEDMO CC(C)(C)[C@H]1C[N@@H+](CC(C)(C)CCC#N)CCO1 ZINC000448364077 261127821 /nfs/dbraw/zinc/12/78/21/261127821.db2.gz SNMVDWPIIOQKBJ-CYBMUJFWSA-N 1 1 252.402 3.063 20 30 CGEDMO CCO[C@@H](C)c1nc(C[N@H+](C)CCCCC#N)cs1 ZINC000174010607 261175855 /nfs/dbraw/zinc/17/58/55/261175855.db2.gz UWHJIHADUAZHQU-LBPRGKRZSA-N 1 1 281.425 3.366 20 30 CGEDMO CCO[C@@H](C)c1nc(C[N@@H+](C)CCCCC#N)cs1 ZINC000174010607 261175857 /nfs/dbraw/zinc/17/58/57/261175857.db2.gz UWHJIHADUAZHQU-LBPRGKRZSA-N 1 1 281.425 3.366 20 30 CGEDMO C=CC1CC[NH+](Cc2nc(Cc3ccccc3C)no2)CC1 ZINC000175665163 261241397 /nfs/dbraw/zinc/24/13/97/261241397.db2.gz BZAAUVZJQWVMMU-UHFFFAOYSA-N 1 1 297.402 3.367 20 30 CGEDMO CO[C@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CC[C@@H]1C ZINC000189275599 262170421 /nfs/dbraw/zinc/17/04/21/262170421.db2.gz DEXPWRHBGUIXHO-YOEHRIQHSA-N 1 1 286.419 3.345 20 30 CGEDMO Cn1cc(Br)cc1C[N@@H+](C)CCC(C)(C)C#N ZINC000119972868 262262310 /nfs/dbraw/zinc/26/23/10/262262310.db2.gz HJEZLDHKMZKVQW-UHFFFAOYSA-N 1 1 298.228 3.159 20 30 CGEDMO C=CCOc1ccccc1CNCCC[N@H+](C)C(C)C ZINC000221786634 262296649 /nfs/dbraw/zinc/29/66/49/262296649.db2.gz MHPMDPIOXNQTLI-UHFFFAOYSA-N 1 1 276.424 3.071 20 30 CGEDMO CC#CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000390863270 262355939 /nfs/dbraw/zinc/35/59/39/262355939.db2.gz OBFSLSBTESFLOV-YQQQUEKLSA-N 1 1 282.431 3.185 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000527482109 269887594 /nfs/dbraw/zinc/88/75/94/269887594.db2.gz HQRMATSGCIJDFN-FRRDWIJNSA-N 1 1 260.406 3.445 20 30 CGEDMO N#CCCOCC[N@@H+](CCc1ccccc1)C1CCCC1 ZINC000338938977 262573924 /nfs/dbraw/zinc/57/39/24/262573924.db2.gz OPGMGOMWOYNCSZ-UHFFFAOYSA-N 1 1 286.419 3.404 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN([C@H]2CC[C@H](C#N)C2)C1 ZINC000339033562 262586444 /nfs/dbraw/zinc/58/64/44/262586444.db2.gz ZRMJEVOURQPENU-BQJWPVKWSA-N 1 1 275.440 3.016 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)NCCC1=CCCCC1 ZINC000216461270 262591631 /nfs/dbraw/zinc/59/16/31/262591631.db2.gz GNUONTPSHZTEMN-OAHLLOKOSA-N 1 1 278.440 3.280 20 30 CGEDMO N#CC1(CC[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)CCCCC1 ZINC000411780469 262706551 /nfs/dbraw/zinc/70/65/51/262706551.db2.gz ABWKMGYWPMIIQB-ZACQAIPSSA-N 1 1 290.451 3.333 20 30 CGEDMO C=C(C)CC[N@H+]([C@@H](C)C(=O)OC(C)(C)C)C1CC1 ZINC000411910291 262710235 /nfs/dbraw/zinc/71/02/35/262710235.db2.gz UOCFSRKXHYACFY-LBPRGKRZSA-N 1 1 253.386 3.147 20 30 CGEDMO CC(C)(CC#N)C[NH2+][C@H](c1ccc(F)cc1)c1cnccn1 ZINC000414163996 262819465 /nfs/dbraw/zinc/81/94/65/262819465.db2.gz JPUAXVUHDMVAAO-MRXNPFEDSA-N 1 1 298.365 3.235 20 30 CGEDMO COc1ccc(C[NH+]2CCC(C)(C#N)CC2)cc1Cl ZINC000272560083 263006817 /nfs/dbraw/zinc/00/68/17/263006817.db2.gz LPEOAPVQTQDKEY-UHFFFAOYSA-N 1 1 278.783 3.474 20 30 CGEDMO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C)(C#N)CC2)cc1C ZINC000272614160 263007538 /nfs/dbraw/zinc/00/75/38/263007538.db2.gz SWKNCVYODXKRCM-OAHLLOKOSA-N 1 1 299.418 3.256 20 30 CGEDMO C[N@@H+](CCOc1cccc(Cl)c1)[C@H]1CC[C@H](C#N)C1 ZINC000278525508 263048705 /nfs/dbraw/zinc/04/87/05/263048705.db2.gz DEMRRKQZUUTQHO-JSGCOSHPSA-N 1 1 278.783 3.343 20 30 CGEDMO CC1(C)CC[N@@H+](Cc2ccc(OCC#N)cc2)CCS1 ZINC000279699523 263056851 /nfs/dbraw/zinc/05/68/51/263056851.db2.gz IQUQWLHXDWEPGF-UHFFFAOYSA-N 1 1 290.432 3.306 20 30 CGEDMO C[NH+](C)Cc1ccc(NC(=O)C2(C#N)CCC2)cc1Cl ZINC000279862789 263057826 /nfs/dbraw/zinc/05/78/26/263057826.db2.gz CMLWPEYBTQHTJZ-UHFFFAOYSA-N 1 1 291.782 3.034 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@@H](C)C1 ZINC000282528831 263077198 /nfs/dbraw/zinc/07/71/98/263077198.db2.gz YWJSAORAKDGCHQ-GOEBONIOSA-N 1 1 286.419 3.487 20 30 CGEDMO C=C[C@H](CC(=O)Nc1cc[nH+]c(N(C)C)c1)c1ccccc1 ZINC000340191718 263086810 /nfs/dbraw/zinc/08/68/10/263086810.db2.gz VFXBBAHECJRVLH-CQSZACIVSA-N 1 1 295.386 3.446 20 30 CGEDMO Cc1[nH+]ccn1CCCSCCC(C)(C)C#N ZINC000289423515 263110118 /nfs/dbraw/zinc/11/01/18/263110118.db2.gz QBBWNFMHZDXMLQ-UHFFFAOYSA-N 1 1 251.399 3.255 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000291651152 263124654 /nfs/dbraw/zinc/12/46/54/263124654.db2.gz UPLVJECRMAQYIF-QGZVFWFLSA-N 1 1 297.446 3.453 20 30 CGEDMO CSC[C@H]1CCC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000292491975 263132767 /nfs/dbraw/zinc/13/27/67/263132767.db2.gz TUUQEBYVVQLWCU-HNNXBMFYSA-N 1 1 290.432 3.164 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@H](c3ccccc3F)C2)C1 ZINC000293133408 263138134 /nfs/dbraw/zinc/13/81/34/263138134.db2.gz PVLJQYAEVBAYMY-RDBSUJKOSA-N 1 1 258.340 3.307 20 30 CGEDMO C[N@@H+](CCCOCc1ccccc1)[C@H]1CC[C@@H](C#N)C1 ZINC000293683486 263146744 /nfs/dbraw/zinc/14/67/44/263146744.db2.gz AQQMXHFXZHUEBD-SJORKVTESA-N 1 1 272.392 3.217 20 30 CGEDMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)CCOCCC#N ZINC000293719351 263147816 /nfs/dbraw/zinc/14/78/16/263147816.db2.gz YJJNDFKVOQRVEM-MRXNPFEDSA-N 1 1 276.380 3.008 20 30 CGEDMO C[N@@H+](Cc1cc(F)c(F)c(F)c1)[C@H]1CC[C@H](C#N)C1 ZINC000294370013 263160453 /nfs/dbraw/zinc/16/04/53/263160453.db2.gz BACOZFWZWXJCPM-ONGXEEELSA-N 1 1 268.282 3.228 20 30 CGEDMO C[N@@H+](Cc1cc(F)c(F)c(F)c1)[C@@H]1CC[C@H](C#N)C1 ZINC000294370001 263160458 /nfs/dbraw/zinc/16/04/58/263160458.db2.gz BACOZFWZWXJCPM-GXSJLCMTSA-N 1 1 268.282 3.228 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)[C@H]1CC[C@H](C#N)C1 ZINC000298305314 263217356 /nfs/dbraw/zinc/21/73/56/263217356.db2.gz YHFYUPHXDAUDTC-IRXDYDNUSA-N 1 1 254.377 3.409 20 30 CGEDMO CC[N@@H+](Cc1ccc(C(=O)N(CC#N)C2CC2)cc1)C(C)C ZINC000299675744 263252150 /nfs/dbraw/zinc/25/21/50/263252150.db2.gz IINZBAFCCUDYLZ-UHFFFAOYSA-N 1 1 299.418 3.045 20 30 CGEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1CC ZINC000341170294 263324854 /nfs/dbraw/zinc/32/48/54/263324854.db2.gz OXENNNHKNNTJBJ-DLBZAZTESA-N 1 1 289.419 3.029 20 30 CGEDMO C=C1CC[NH+]([C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000342000870 263374685 /nfs/dbraw/zinc/37/46/85/263374685.db2.gz ZQYOSHDKORQERC-CABCVRRESA-N 1 1 284.403 3.005 20 30 CGEDMO C=C1CC[NH+]([C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000342000029 263375428 /nfs/dbraw/zinc/37/54/28/263375428.db2.gz XZXFKXHBQCNFSA-GOSISDBHSA-N 1 1 298.430 3.392 20 30 CGEDMO COCC1(C#N)CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000341992859 263381731 /nfs/dbraw/zinc/38/17/31/263381731.db2.gz QKLBXWDLWVOINA-UHFFFAOYSA-N 1 1 278.783 3.092 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](CO)[C@H]2C)cc1Cl ZINC000425962748 264227876 /nfs/dbraw/zinc/22/78/76/264227876.db2.gz JBZWPDLLGASGSR-TZMCWYRMSA-N 1 1 295.810 3.108 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000129528727 264323661 /nfs/dbraw/zinc/32/36/61/264323661.db2.gz VGHOFARZSGAICO-OIISXLGYSA-N 1 1 291.460 3.492 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](CC)[C@@H](C)c1cccc(O)c1 ZINC000129910275 264332745 /nfs/dbraw/zinc/33/27/45/264332745.db2.gz JYTPMCFQHXOMGE-BBRMVZONSA-N 1 1 263.381 3.102 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](CC)[C@@H](C)c1cccc(O)c1 ZINC000129910032 264333286 /nfs/dbraw/zinc/33/32/86/264333286.db2.gz JYTPMCFQHXOMGE-XJKSGUPXSA-N 1 1 263.381 3.102 20 30 CGEDMO C[C@@H](C1CC1)[N@@H+](CCOc1ccc(C#N)cc1)C1CC1 ZINC000042123297 270031816 /nfs/dbraw/zinc/03/18/16/270031816.db2.gz UIWUNYOWGVXRCO-ZDUSSCGKSA-N 1 1 270.376 3.200 20 30 CGEDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)CCOc1ccccc1C#N ZINC000042278405 270032405 /nfs/dbraw/zinc/03/24/05/270032405.db2.gz ODHSKGIIUDYUCX-GDBMZVCRSA-N 1 1 272.392 3.448 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000518995952 265287215 /nfs/dbraw/zinc/28/72/15/265287215.db2.gz OHLIBTIQSZWWPN-OAHLLOKOSA-N 1 1 294.826 3.367 20 30 CGEDMO C=CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1ccccc1 ZINC000356747744 266168448 /nfs/dbraw/zinc/16/84/48/266168448.db2.gz UGXCEQUQUBRXGF-RDJZCZTQSA-N 1 1 288.435 3.191 20 30 CGEDMO C#CCC[N@H+](CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000368375282 267167640 /nfs/dbraw/zinc/16/76/40/267167640.db2.gz UBAYYBWUQZADMH-MRXNPFEDSA-N 1 1 256.393 3.440 20 30 CGEDMO CO[C@@H]1CCC[N@@H+](CCCCC(C)(C)C#N)CC1 ZINC000370501522 267325381 /nfs/dbraw/zinc/32/53/81/267325381.db2.gz XTHHUSBTCVVEIC-CQSZACIVSA-N 1 1 252.402 3.207 20 30 CGEDMO C=CCOc1ccc(C[NH2+]CC2(C#N)CCC2)cc1 ZINC000418139607 267362325 /nfs/dbraw/zinc/36/23/25/267362325.db2.gz HUTWFTYFAUMGRR-UHFFFAOYSA-N 1 1 256.349 3.035 20 30 CGEDMO CCOc1ccc(C[NH2+]CC2(C#N)CCC2)cc1OCC ZINC000418140246 267362554 /nfs/dbraw/zinc/36/25/54/267362554.db2.gz IVXDFANDSZLZGK-UHFFFAOYSA-N 1 1 288.391 3.267 20 30 CGEDMO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC000528774736 270172772 /nfs/dbraw/zinc/17/27/72/270172772.db2.gz WCJBGPRQMOWYDP-SECBINFHSA-N 1 1 256.321 3.239 20 30 CGEDMO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1ccc(C#N)s1 ZINC000528774736 270172773 /nfs/dbraw/zinc/17/27/73/270172773.db2.gz WCJBGPRQMOWYDP-SECBINFHSA-N 1 1 256.321 3.239 20 30 CGEDMO C[C@H]1SCC[N@H+](Cc2ccc(C#N)cc2F)[C@H]1C ZINC000118416512 280090847 /nfs/dbraw/zinc/09/08/47/280090847.db2.gz GXOYMYDULONSIA-WDEREUQCSA-N 1 1 264.369 3.023 20 30 CGEDMO C[C@H]1SCC[N@@H+](Cc2ccc(C#N)cc2F)[C@H]1C ZINC000118416512 280090850 /nfs/dbraw/zinc/09/08/50/280090850.db2.gz GXOYMYDULONSIA-WDEREUQCSA-N 1 1 264.369 3.023 20 30 CGEDMO Cc1ccc2c(c1)CC[N@@H+](Cc1ccc(C#N)s1)C2 ZINC000361734368 281054340 /nfs/dbraw/zinc/05/43/40/281054340.db2.gz FMIHRAXGAIUHJM-UHFFFAOYSA-N 1 1 268.385 3.487 20 30 CGEDMO Cc1ccc2c(c1)CC[N@H+](Cc1ccc(C#N)s1)C2 ZINC000361734368 281054344 /nfs/dbraw/zinc/05/43/44/281054344.db2.gz FMIHRAXGAIUHJM-UHFFFAOYSA-N 1 1 268.385 3.487 20 30 CGEDMO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000541645483 288714509 /nfs/dbraw/zinc/71/45/09/288714509.db2.gz HQLGYRLDSHKTAI-ZDUSSCGKSA-N 1 1 298.390 3.195 20 30 CGEDMO CCCC[N@@H+](C)C[C@H](C)N[C@@H](C)c1ccc(C#N)cc1F ZINC000554742332 289307643 /nfs/dbraw/zinc/30/76/43/289307643.db2.gz SOWAENJGQRXFLZ-KBPBESRZSA-N 1 1 291.414 3.468 20 30 CGEDMO C[NH+](C)C1(CN[C@H]2CCc3ccc(C#N)cc32)CCCCC1 ZINC000554996781 289322622 /nfs/dbraw/zinc/32/26/22/289322622.db2.gz CYQPPSZPJUUNJS-SFHVURJKSA-N 1 1 297.446 3.400 20 30 CGEDMO C#CC[NH2+][C@H](c1ccc(OC)cc1)c1ccccc1OC ZINC000152180444 328077680 /nfs/dbraw/zinc/07/76/80/328077680.db2.gz RICPEZMEEUMBBV-GOSISDBHSA-N 1 1 281.355 3.016 20 30 CGEDMO CSC[C@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000430194257 328157184 /nfs/dbraw/zinc/15/71/84/328157184.db2.gz HVPMBTPFXZOGOY-ZDUSSCGKSA-N 1 1 254.443 3.391 20 30 CGEDMO N#CCC[C@@H](C#N)C[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000264881457 328162540 /nfs/dbraw/zinc/16/25/40/328162540.db2.gz QYYBAHUCTIXBEK-UONOGXRCSA-N 1 1 271.339 3.059 20 30 CGEDMO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000264881457 328162541 /nfs/dbraw/zinc/16/25/41/328162541.db2.gz QYYBAHUCTIXBEK-UONOGXRCSA-N 1 1 271.339 3.059 20 30 CGEDMO Cc1nc2sccn2c1C[N@H+](C)CC(C)(C)CCC#N ZINC000271148860 328195272 /nfs/dbraw/zinc/19/52/72/328195272.db2.gz JUYGPVJTZHKJBO-UHFFFAOYSA-N 1 1 290.436 3.466 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1C(C)(C)C#N)C1CC1 ZINC000274167908 328208651 /nfs/dbraw/zinc/20/86/51/328208651.db2.gz NDEFKMPXAPNZQH-UHFFFAOYSA-N 1 1 252.361 3.085 20 30 CGEDMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000274951628 328213812 /nfs/dbraw/zinc/21/38/12/328213812.db2.gz HDLNTYWZOWZJFZ-CJNGLKHVSA-N 1 1 258.365 3.209 20 30 CGEDMO C[N@H+](C[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CC[C@H](C#N)C1 ZINC000278566023 328227454 /nfs/dbraw/zinc/22/74/54/328227454.db2.gz IVRQTLWJBBYKFS-GBESFXJTSA-N 1 1 297.446 3.133 20 30 CGEDMO C[N@@H+](C[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CC[C@H](C#N)C1 ZINC000278566023 328227455 /nfs/dbraw/zinc/22/74/55/328227455.db2.gz IVRQTLWJBBYKFS-GBESFXJTSA-N 1 1 297.446 3.133 20 30 CGEDMO CCOc1ccc(C[NH2+][C@@H](CC)CC#N)cc1F ZINC000278595552 328227785 /nfs/dbraw/zinc/22/77/85/328227785.db2.gz IMFBHHSYGZHSBL-LBPRGKRZSA-N 1 1 250.317 3.006 20 30 CGEDMO N#CCCCC[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000185329720 329273074 /nfs/dbraw/zinc/27/30/74/329273074.db2.gz BMUVLQSNMXLTIF-GFCCVEGCSA-N 1 1 264.319 3.448 20 30 CGEDMO CCc1ccc([C@@H]2C[N@@H+]([C@@H]3CC[C@H](C#N)C3)CCO2)cc1 ZINC000294687289 328282519 /nfs/dbraw/zinc/28/25/19/328282519.db2.gz SXHPCIQSJNABLW-JQHSSLGASA-N 1 1 284.403 3.315 20 30 CGEDMO CCc1ccc([C@@H]2C[N@H+]([C@@H]3CC[C@H](C#N)C3)CCO2)cc1 ZINC000294687289 328282521 /nfs/dbraw/zinc/28/25/21/328282521.db2.gz SXHPCIQSJNABLW-JQHSSLGASA-N 1 1 284.403 3.315 20 30 CGEDMO N#CC[C@@H]1CC[C@H]([NH2+]Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000295082317 328284986 /nfs/dbraw/zinc/28/49/86/328284986.db2.gz QNAIQIPVNBKVHQ-ZFWWWQNUSA-N 1 1 280.375 3.249 20 30 CGEDMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000563727548 322007945 /nfs/dbraw/zinc/00/79/45/322007945.db2.gz VQYOBQHGLMHUAO-CYBMUJFWSA-N 1 1 283.350 3.155 20 30 CGEDMO Cn1c[nH+]cc1CCCSc1ccc(C#N)cc1F ZINC000566497682 322126836 /nfs/dbraw/zinc/12/68/36/322126836.db2.gz GKXFNTQKRVEEID-UHFFFAOYSA-N 1 1 275.352 3.156 20 30 CGEDMO C=C(Br)C[NH2+][C@H](C)c1ccccc1OC ZINC000088162785 327016770 /nfs/dbraw/zinc/01/67/70/327016770.db2.gz AGYCCTOYXMYLHM-SNVBAGLBSA-N 1 1 270.170 3.254 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000559400953 327243516 /nfs/dbraw/zinc/24/35/16/327243516.db2.gz TWQRUXPPLNJNTQ-HOCLYGCPSA-N 1 1 295.810 3.120 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCCO[C@@H](C(C)C)C1 ZINC000560638411 327332792 /nfs/dbraw/zinc/33/27/92/327332792.db2.gz KSRLJJDQCXDMIG-GOSISDBHSA-N 1 1 289.419 3.498 20 30 CGEDMO C=CCC[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccco1 ZINC000377758533 329028292 /nfs/dbraw/zinc/02/82/92/329028292.db2.gz XGZFWJLITJUXMM-TZMCWYRMSA-N 1 1 271.364 3.157 20 30 CGEDMO C[N@H+]1CCN(CCCC(C)(C)C#N)C2(CCCCC2)C1 ZINC000178399211 329199571 /nfs/dbraw/zinc/19/95/71/329199571.db2.gz MQSULTZXSFCXAZ-UHFFFAOYSA-N 1 1 277.456 3.267 20 30 CGEDMO C=CCc1cc(C[N@@H+](C)CC(=C)C)cc(OC)c1O ZINC000181052079 329225390 /nfs/dbraw/zinc/22/53/90/329225390.db2.gz FCKLCVDEEVTSDL-UHFFFAOYSA-N 1 1 261.365 3.137 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000181248172 329227402 /nfs/dbraw/zinc/22/74/02/329227402.db2.gz QMUDVIIOGPPPCV-LBPRGKRZSA-N 1 1 257.337 3.306 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)c1nc(-c2ccccc2)no1 ZINC000181248172 329227403 /nfs/dbraw/zinc/22/74/03/329227403.db2.gz QMUDVIIOGPPPCV-LBPRGKRZSA-N 1 1 257.337 3.306 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@@H](C)c1nc(-c2cccs2)no1 ZINC000181263436 329228543 /nfs/dbraw/zinc/22/85/43/329228543.db2.gz DRZJEFUCPCVBBH-JTQLQIEISA-N 1 1 263.366 3.367 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)c1nc(-c2cccs2)no1 ZINC000181263436 329228544 /nfs/dbraw/zinc/22/85/44/329228544.db2.gz DRZJEFUCPCVBBH-JTQLQIEISA-N 1 1 263.366 3.367 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1SC ZINC000181264832 329228550 /nfs/dbraw/zinc/22/85/50/329228550.db2.gz PCSWOIUBXIHUJS-LBPRGKRZSA-N 1 1 278.421 3.243 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1SC ZINC000181264832 329228551 /nfs/dbraw/zinc/22/85/51/329228551.db2.gz PCSWOIUBXIHUJS-LBPRGKRZSA-N 1 1 278.421 3.243 20 30 CGEDMO C=C(C)C[N@@H+](C)CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000181309211 329230569 /nfs/dbraw/zinc/23/05/69/329230569.db2.gz JBTKODJCLKFMHI-UHFFFAOYSA-N 1 1 298.386 3.321 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)N(Cc1ccco1)c1ccccc1 ZINC000181309211 329230571 /nfs/dbraw/zinc/23/05/71/329230571.db2.gz JBTKODJCLKFMHI-UHFFFAOYSA-N 1 1 298.386 3.321 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)C[C@@H]1CCC(C)(C)O1 ZINC000184675808 329262141 /nfs/dbraw/zinc/26/21/41/329262141.db2.gz SWOHELJJYZHBKQ-ZDUSSCGKSA-N 1 1 252.402 3.206 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@@H]1CCC(C)(C)O1 ZINC000184675808 329262142 /nfs/dbraw/zinc/26/21/42/329262142.db2.gz SWOHELJJYZHBKQ-ZDUSSCGKSA-N 1 1 252.402 3.206 20 30 CGEDMO C=CCCC(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](CC)C1 ZINC000185337803 329270565 /nfs/dbraw/zinc/27/05/65/329270565.db2.gz ZJAYNLAGPHCXDR-QGZVFWFLSA-N 1 1 286.419 3.076 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)nc1 ZINC000583152143 329323071 /nfs/dbraw/zinc/32/30/71/329323071.db2.gz QEJRGHZLCNGDBX-AWEZNQCLSA-N 1 1 281.334 3.082 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@H](c3ccncc3)C2)ccc1F ZINC000584389037 329324366 /nfs/dbraw/zinc/32/43/66/329324366.db2.gz FGQPYYFWYWGPFS-HNNXBMFYSA-N 1 1 281.334 3.082 20 30 CGEDMO CSCc1cnc(C[NH2+]CC(C)(C)CC#N)s1 ZINC000459737012 329376106 /nfs/dbraw/zinc/37/61/06/329376106.db2.gz VKGLMUMHHWKFDI-UHFFFAOYSA-N 1 1 269.439 3.036 20 30 CGEDMO COc1cc(C[NH+]2CCC(C#N)CC2)ccc1SC ZINC000068816863 329852776 /nfs/dbraw/zinc/85/27/76/329852776.db2.gz MVEKKJSIHREKKY-UHFFFAOYSA-N 1 1 276.405 3.153 20 30 CGEDMO N#CCCCC[N@H+]1CCSC2(CCCCC2)C1 ZINC000079503880 330039688 /nfs/dbraw/zinc/03/96/88/330039688.db2.gz ONJQYGPUKMAJKF-UHFFFAOYSA-N 1 1 252.427 3.432 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000270169496 330073399 /nfs/dbraw/zinc/07/33/99/330073399.db2.gz ABBRWKBOXLATRA-CQSZACIVSA-N 1 1 255.365 3.077 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000533299148 330356615 /nfs/dbraw/zinc/35/66/15/330356615.db2.gz DBGFDHNPEGTVAT-CAOSSQGBSA-N 1 1 280.456 3.214 20 30 CGEDMO CC(C)[C@@H]1CCC[N@@H+](CCCSCC#N)CC1 ZINC000080628813 330366638 /nfs/dbraw/zinc/36/66/38/330366638.db2.gz XJYOXBGSVOPJDM-CQSZACIVSA-N 1 1 254.443 3.391 20 30 CGEDMO C=C(C)C[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000119640297 330378088 /nfs/dbraw/zinc/37/80/88/330378088.db2.gz TUKJCODPKCSDAY-UHFFFAOYSA-N 1 1 297.189 3.240 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000424586900 330390711 /nfs/dbraw/zinc/39/07/11/330390711.db2.gz GELJPRQIXZGJRA-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC1(C(=O)N2CC[NH+](C(C)C)CC2)CCCCC1 ZINC000448672095 330777119 /nfs/dbraw/zinc/77/71/19/330777119.db2.gz ZKPVVHFBRQJQGD-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@@H]([NH2+][C@H](CC)C1CCC1)C(=O)OCC ZINC000449656504 330942444 /nfs/dbraw/zinc/94/24/44/330942444.db2.gz LFIXUMNFPALORG-ZIAGYGMSSA-N 1 1 253.386 3.053 20 30 CGEDMO C=CCC[C@H]([NH2+]C1CCC(CSC)CC1)C(=O)OCC ZINC000449652769 330942150 /nfs/dbraw/zinc/94/21/50/330942150.db2.gz BOBBEFHLQSHQSP-NRXISQOPSA-N 1 1 299.480 3.396 20 30 CGEDMO C=C(CC)C[NH2+][C@H](c1nccn1C)c1cccc(F)c1 ZINC000449732263 330946285 /nfs/dbraw/zinc/94/62/85/330946285.db2.gz AQXHCDRFMHAZCH-HNNXBMFYSA-N 1 1 273.355 3.204 20 30 CGEDMO N#CC1(C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)CCC1 ZINC000450849080 331002760 /nfs/dbraw/zinc/00/27/60/331002760.db2.gz VTFJIFCYAFDSTK-GJZGRUSLSA-N 1 1 290.794 3.453 20 30 CGEDMO C=C[C@@H]1CCCCN1C[C@@H]1CCCC[N@@H+]1C(C)C ZINC000450883250 331004589 /nfs/dbraw/zinc/00/45/89/331004589.db2.gz PJTQHZIXLYDGQO-CVEARBPZSA-N 1 1 250.430 3.290 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCCN1C(C)C ZINC000450883250 331004590 /nfs/dbraw/zinc/00/45/90/331004590.db2.gz PJTQHZIXLYDGQO-CVEARBPZSA-N 1 1 250.430 3.290 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCCN1C(C)C ZINC000450883250 331004591 /nfs/dbraw/zinc/00/45/91/331004591.db2.gz PJTQHZIXLYDGQO-CVEARBPZSA-N 1 1 250.430 3.290 20 30 CGEDMO N#CC1(C[NH2+]C2(c3ccc(OC(F)(F)F)cc3)CC2)CC1 ZINC000451145446 331017540 /nfs/dbraw/zinc/01/75/40/331017540.db2.gz JWLIZFRPWZBCLD-UHFFFAOYSA-N 1 1 296.292 3.468 20 30 CGEDMO C=CCN1CC[C@H]([N@H+]2[C@H](C)C[C@@H](c3ccccc3)[C@@H]2C)C1=O ZINC000451180367 331019101 /nfs/dbraw/zinc/01/91/01/331019101.db2.gz GCXKQFVGUMXVJS-ATLSCFEFSA-N 1 1 298.430 3.040 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000451216147 331020870 /nfs/dbraw/zinc/02/08/70/331020870.db2.gz MHVZNLYIKNVLPC-LSDHHAIUSA-N 1 1 280.456 3.345 20 30 CGEDMO CCO[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1C ZINC000451522700 331032364 /nfs/dbraw/zinc/03/23/64/331032364.db2.gz BPBSQPREBGDWGQ-PBHICJAKSA-N 1 1 291.822 3.438 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@H]1C ZINC000451538632 331033125 /nfs/dbraw/zinc/03/31/25/331033125.db2.gz DNKBCOALWCPEKU-PBHICJAKSA-N 1 1 286.419 3.345 20 30 CGEDMO N#CC1(C[N@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451543182 331033597 /nfs/dbraw/zinc/03/35/97/331033597.db2.gz BEZHANJUFWZYKR-CQSZACIVSA-N 1 1 285.347 3.078 20 30 CGEDMO N#CC1(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451543182 331033598 /nfs/dbraw/zinc/03/35/98/331033598.db2.gz BEZHANJUFWZYKR-CQSZACIVSA-N 1 1 285.347 3.078 20 30 CGEDMO C[C@@H]1CN(Cc2ccccc2)CC[N@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000451705266 331039802 /nfs/dbraw/zinc/03/98/02/331039802.db2.gz IEKDCLDEBGYELP-NEWSRXKRSA-N 1 1 297.446 3.133 20 30 CGEDMO C[C@H]1CN([C@H]2CC[C@H](C#N)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000451705266 331039803 /nfs/dbraw/zinc/03/98/03/331039803.db2.gz IEKDCLDEBGYELP-NEWSRXKRSA-N 1 1 297.446 3.133 20 30 CGEDMO C[C@H]1CN([C@H]2CC[C@H](C#N)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000451705266 331039804 /nfs/dbraw/zinc/03/98/04/331039804.db2.gz IEKDCLDEBGYELP-NEWSRXKRSA-N 1 1 297.446 3.133 20 30 CGEDMO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000451730411 331040408 /nfs/dbraw/zinc/04/04/08/331040408.db2.gz ARRILEKCALYZNE-OAHLLOKOSA-N 1 1 292.810 3.169 20 30 CGEDMO C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000451730411 331040409 /nfs/dbraw/zinc/04/04/09/331040409.db2.gz ARRILEKCALYZNE-OAHLLOKOSA-N 1 1 292.810 3.169 20 30 CGEDMO C=CCOCCC[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451852709 331044661 /nfs/dbraw/zinc/04/46/61/331044661.db2.gz KTHSSEWXPDQBCW-HNNXBMFYSA-N 1 1 261.365 3.399 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451852472 331044699 /nfs/dbraw/zinc/04/46/99/331044699.db2.gz KPNXEQMGFVRZOQ-UKRRQHHQSA-N 1 1 261.365 3.134 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CC2(CCC2)[C@H]1c1ccco1 ZINC000451852470 331044820 /nfs/dbraw/zinc/04/48/20/331044820.db2.gz KPNXEQMGFVRZOQ-DZGCQCFKSA-N 1 1 261.365 3.134 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](N(C)CC#Cc2ccccc2Cl)C1 ZINC000452125583 331055225 /nfs/dbraw/zinc/05/52/25/331055225.db2.gz XVMGHJKOTDVZAW-MRXNPFEDSA-N 1 1 290.838 3.106 20 30 CGEDMO C=CC(C)(C)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000452772533 331075760 /nfs/dbraw/zinc/07/57/60/331075760.db2.gz FSKHHDFOWQIVCY-HNNXBMFYSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC(C)(C)CNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000454315791 331143971 /nfs/dbraw/zinc/14/39/71/331143971.db2.gz FTXAFAXFCUAHHZ-OAHLLOKOSA-N 1 1 295.471 3.010 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@@H](O)Cc1ccccc1 ZINC000195561383 331177830 /nfs/dbraw/zinc/17/78/30/331177830.db2.gz PWRJCLGZGGYRRI-SFHVURJKSA-N 1 1 299.389 3.417 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000459557121 331287621 /nfs/dbraw/zinc/28/76/21/331287621.db2.gz GUBVULVTPRCJID-HNNXBMFYSA-N 1 1 253.386 3.006 20 30 CGEDMO CC#CC[N@@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000463242375 331343881 /nfs/dbraw/zinc/34/38/81/331343881.db2.gz HVFKHAFLAYQSHK-UHFFFAOYSA-N 1 1 257.255 3.040 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000464652780 331364331 /nfs/dbraw/zinc/36/43/31/331364331.db2.gz XKPAVBFRXWPRIX-OWCLPIDISA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](CCC)C1 ZINC000466478247 331398081 /nfs/dbraw/zinc/39/80/81/331398081.db2.gz YFKXBBVUWRMTBU-HZPDHXFCSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000488533347 332015956 /nfs/dbraw/zinc/01/59/56/332015956.db2.gz ZZDPABCMMRQOSI-HNNXBMFYSA-N 1 1 292.810 3.343 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1CC ZINC000489430454 332051867 /nfs/dbraw/zinc/05/18/67/332051867.db2.gz OZOAOURECFAFIN-OAHLLOKOSA-N 1 1 272.392 3.228 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1CC ZINC000489430454 332051868 /nfs/dbraw/zinc/05/18/68/332051868.db2.gz OZOAOURECFAFIN-OAHLLOKOSA-N 1 1 272.392 3.228 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(C(=O)OC)cc1 ZINC000489438500 332052245 /nfs/dbraw/zinc/05/22/45/332052245.db2.gz MDQJGKZLDKIGQI-HNNXBMFYSA-N 1 1 259.349 3.014 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nccn1-c1ccccc1 ZINC000489457321 332053970 /nfs/dbraw/zinc/05/39/70/332053970.db2.gz BUSHYZHOSKVLFA-HNNXBMFYSA-N 1 1 267.376 3.413 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1nccn1-c1ccccc1 ZINC000489457321 332053971 /nfs/dbraw/zinc/05/39/71/332053971.db2.gz BUSHYZHOSKVLFA-HNNXBMFYSA-N 1 1 267.376 3.413 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(C)=O ZINC000489485048 332055782 /nfs/dbraw/zinc/05/57/82/332055782.db2.gz SMWYTZZLFMBAOX-OAHLLOKOSA-N 1 1 273.376 3.309 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cnn(-c2ccccc2)c1 ZINC000489494358 332056432 /nfs/dbraw/zinc/05/64/32/332056432.db2.gz HPPPKAVMALMELZ-MRXNPFEDSA-N 1 1 267.376 3.413 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1C[C@H](c2ccc(C)cc2)C[C@@H]1C ZINC000490077151 332080440 /nfs/dbraw/zinc/08/04/40/332080440.db2.gz QCOKOGOKEWPNON-JQHSSLGASA-N 1 1 273.420 3.500 20 30 CGEDMO CCC[N@@H+](CCCC#N)[C@H](C)C(=O)Nc1ccccc1C ZINC000490080515 332080595 /nfs/dbraw/zinc/08/05/95/332080595.db2.gz PCEIQDYHZUURJB-OAHLLOKOSA-N 1 1 287.407 3.338 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)C[C@@H]1CCO[C@H](C)C1 ZINC000491069876 332145595 /nfs/dbraw/zinc/14/55/95/332145595.db2.gz YTNZRTXYCXANPR-NVXWUHKLSA-N 1 1 259.393 3.490 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)Cc1ncccc1C ZINC000491124974 332153239 /nfs/dbraw/zinc/15/32/39/332153239.db2.gz ADHXMHAWXZPDEF-UHFFFAOYSA-N 1 1 250.345 3.025 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ncccc1C ZINC000491124974 332153241 /nfs/dbraw/zinc/15/32/41/332153241.db2.gz ADHXMHAWXZPDEF-UHFFFAOYSA-N 1 1 250.345 3.025 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1cccc2nccn21)c1ccc(Cl)cc1 ZINC000491617433 332244397 /nfs/dbraw/zinc/24/43/97/332244397.db2.gz KDFDDSQFPOTEEJ-MRXNPFEDSA-N 1 1 295.773 3.452 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1sc(C)nc1C)c1ccc(F)cc1 ZINC000491653382 332265949 /nfs/dbraw/zinc/26/59/49/332265949.db2.gz CPQPBJHPBXYHOE-CQSZACIVSA-N 1 1 274.364 3.363 20 30 CGEDMO C#C[C@H]([NH2+]Cc1ccc(OC)cc1)c1ccc(F)cc1 ZINC000491673323 332279560 /nfs/dbraw/zinc/27/95/60/332279560.db2.gz ZMRBLAZKUWBIOL-KRWDZBQOSA-N 1 1 269.319 3.298 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1cnc(-c2ccccc2F)s1 ZINC000491772741 332338806 /nfs/dbraw/zinc/33/88/06/332338806.db2.gz UGFUDUVRNNHOHM-NSHDSACASA-N 1 1 274.364 3.403 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1cnc(-c2ccccc2F)s1 ZINC000491772741 332338807 /nfs/dbraw/zinc/33/88/07/332338807.db2.gz UGFUDUVRNNHOHM-NSHDSACASA-N 1 1 274.364 3.403 20 30 CGEDMO C=C(CC)C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309908953 333051267 /nfs/dbraw/zinc/05/12/67/333051267.db2.gz LHULBURVTBFOFS-SJLPKXTDSA-N 1 1 272.436 3.453 20 30 CGEDMO CO[C@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)CC[C@H]1C ZINC000189274755 333188968 /nfs/dbraw/zinc/18/89/68/333188968.db2.gz QKCSCERUVWEANK-CJNGLKHVSA-N 1 1 277.795 3.048 20 30 CGEDMO C=CCCC[N@@H+](C)[C@H](C)c1nnnn1C1CCCCC1 ZINC000189360525 333190924 /nfs/dbraw/zinc/19/09/24/333190924.db2.gz QMKUEGGXZHJOJK-CYBMUJFWSA-N 1 1 277.416 3.137 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)c1nnnn1C1CCCCC1 ZINC000189360525 333190926 /nfs/dbraw/zinc/19/09/26/333190926.db2.gz QMKUEGGXZHJOJK-CYBMUJFWSA-N 1 1 277.416 3.137 20 30 CGEDMO C=CCCCCC[N@H+]1CC[S@@](=O)C(CC)(CC)C1 ZINC000193560583 333253453 /nfs/dbraw/zinc/25/34/53/333253453.db2.gz ZFEIFKMDNYCHBA-GOSISDBHSA-N 1 1 271.470 3.356 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)OC(C)(C)C ZINC000523551931 333332929 /nfs/dbraw/zinc/33/29/29/333332929.db2.gz JEZAMWMBZMEGOZ-CYBMUJFWSA-N 1 1 255.402 3.395 20 30 CGEDMO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1cccc(OC(F)F)c1 ZINC000133706988 334050700 /nfs/dbraw/zinc/05/07/00/334050700.db2.gz KZYCZQSZXLKIQI-NEPJUHHUSA-N 1 1 293.317 3.382 20 30 CGEDMO C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CCCCC#N ZINC000134643577 334098885 /nfs/dbraw/zinc/09/88/85/334098885.db2.gz GVJAZHLXCAISNH-KGLIPLIRSA-N 1 1 295.427 3.058 20 30 CGEDMO Clc1ccccc1C#CC[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000135027787 334112553 /nfs/dbraw/zinc/11/25/53/334112553.db2.gz SRJIUEDALAIOCP-INIZCTEOSA-N 1 1 299.805 3.225 20 30 CGEDMO Clc1ccccc1C#CC[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000135027787 334112554 /nfs/dbraw/zinc/11/25/54/334112554.db2.gz SRJIUEDALAIOCP-INIZCTEOSA-N 1 1 299.805 3.225 20 30 CGEDMO CC#CC[NH2+][C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000135266648 334122826 /nfs/dbraw/zinc/12/28/26/334122826.db2.gz PTNYOAUCGOINKT-QGZVFWFLSA-N 1 1 296.345 3.118 20 30 CGEDMO CC[C@]1(C)C[N@@H+](Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000135626601 334134745 /nfs/dbraw/zinc/13/47/45/334134745.db2.gz BVUBDNBQZUQXGS-GOSISDBHSA-N 1 1 286.419 3.489 20 30 CGEDMO N#CCC[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000137092518 334170151 /nfs/dbraw/zinc/17/01/51/334170151.db2.gz FSYOXSADIXIDPJ-UHFFFAOYSA-N 1 1 273.561 3.106 20 30 CGEDMO C=CCC(C)(C)C[NH2+][C@@H]1CCN(CCCOCC)C[C@H]1C ZINC000551241898 334242622 /nfs/dbraw/zinc/24/26/22/334242622.db2.gz XHMLNSCQRYAPHM-IAGOWNOFSA-N 1 1 296.499 3.315 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000551737792 334259455 /nfs/dbraw/zinc/25/94/55/334259455.db2.gz ARZAMMJOOSWURX-UHFFFAOYSA-N 1 1 280.362 3.443 20 30 CGEDMO COC[C@@H](C#N)Nc1ccc([N@@H+]2CCCC[C@H]2C)cc1C ZINC000248375704 334299328 /nfs/dbraw/zinc/29/93/28/334299328.db2.gz XSJSOCRDPDLNTL-HUUCEWRRSA-N 1 1 287.407 3.324 20 30 CGEDMO COC[C@@H](C#N)Nc1ccc([N@H+]2CCCC[C@H]2C)cc1C ZINC000248375704 334299329 /nfs/dbraw/zinc/29/93/29/334299329.db2.gz XSJSOCRDPDLNTL-HUUCEWRRSA-N 1 1 287.407 3.324 20 30 CGEDMO Clc1ccccc1C#CC[N@@H+]1CCCSCC1 ZINC000089982495 334354684 /nfs/dbraw/zinc/35/46/84/334354684.db2.gz GVJSABIOCQWBNN-UHFFFAOYSA-N 1 1 265.809 3.130 20 30 CGEDMO Clc1ccccc1C#CC[N@H+]1CCCSCC1 ZINC000089982495 334354685 /nfs/dbraw/zinc/35/46/85/334354685.db2.gz GVJSABIOCQWBNN-UHFFFAOYSA-N 1 1 265.809 3.130 20 30 CGEDMO CO[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)CC[C@@H]1C ZINC000251892547 334371414 /nfs/dbraw/zinc/37/14/14/334371414.db2.gz QKCSCERUVWEANK-XJKSGUPXSA-N 1 1 277.795 3.048 20 30 CGEDMO CC[C@@H](NC[C@H](CC)[NH+]1CCCC1)c1ccc(C#N)cc1 ZINC000576460186 335206404 /nfs/dbraw/zinc/20/64/04/335206404.db2.gz RRCIWYMHTRAPOP-ZWKOTPCHSA-N 1 1 285.435 3.473 20 30 CGEDMO CC[C@H](CN[C@H](CC)c1ccc(C#N)cc1)[NH+]1CCCC1 ZINC000576460184 335206415 /nfs/dbraw/zinc/20/64/15/335206415.db2.gz RRCIWYMHTRAPOP-QZTJIDSGSA-N 1 1 285.435 3.473 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)cc1 ZINC000576870059 335257957 /nfs/dbraw/zinc/25/79/57/335257957.db2.gz KMOMQQXLNBVVPL-AEFFLSMTSA-N 1 1 287.378 3.068 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)[C@@H](CC)c1cccc(OC)c1 ZINC000577418608 335350999 /nfs/dbraw/zinc/35/09/99/335350999.db2.gz DBSZLKANLUSYIO-WBVHZDCISA-N 1 1 277.408 3.405 20 30 CGEDMO C[C@H]([NH2+][C@@H](CO)c1ccsc1)c1ccc(C#N)cc1F ZINC000349418150 335465751 /nfs/dbraw/zinc/46/57/51/335465751.db2.gz AQBQRWTWLTUHAV-BONVTDFDSA-N 1 1 290.363 3.143 20 30 CGEDMO CCCC[N@@H+](CCCO)[C@@H](C)c1ccc(C#N)cc1 ZINC000195006732 336042782 /nfs/dbraw/zinc/04/27/82/336042782.db2.gz KELGBDYBKQVAPK-AWEZNQCLSA-N 1 1 260.381 3.104 20 30 CGEDMO CC[C@@H]1[C@@H](C)CC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000384285799 336123370 /nfs/dbraw/zinc/12/33/70/336123370.db2.gz NCZPZGIPZDFCJX-XJKSGUPXSA-N 1 1 258.365 3.057 20 30 CGEDMO CC1(C)C[N@H+](Cc2ccc(C#N)cc2Cl)[C@@H]2COC[C@@H]21 ZINC000384869523 336133440 /nfs/dbraw/zinc/13/34/40/336133440.db2.gz STJSZQXNDJKILF-DZGCQCFKSA-N 1 1 290.794 3.068 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2Cl)[C@@H]2COC[C@@H]21 ZINC000384869523 336133441 /nfs/dbraw/zinc/13/34/41/336133441.db2.gz STJSZQXNDJKILF-DZGCQCFKSA-N 1 1 290.794 3.068 20 30 CGEDMO Cc1nc(NCC[N@@H+]2CCC[C@H](C)C2)c(Cl)cc1C#N ZINC000359871411 534490228 /nfs/dbraw/zinc/49/02/28/534490228.db2.gz GNCPSYIMXIQYFF-NSHDSACASA-N 1 1 292.814 3.059 20 30 CGEDMO CC[C@@H]1CCC[N@@H+](CCOc2ccc(C#N)cc2OC)C1 ZINC000157569927 523248998 /nfs/dbraw/zinc/24/89/98/523248998.db2.gz UCTFQJOUFFPMCI-CQSZACIVSA-N 1 1 288.391 3.068 20 30 CGEDMO N#Cc1c(C[N@H+]2CC[C@@H]3CCC[C@H]32)cn2ccccc12 ZINC000426486228 534761807 /nfs/dbraw/zinc/76/18/07/534761807.db2.gz LAEHHMIUYZLBND-XJKSGUPXSA-N 1 1 265.360 3.185 20 30 CGEDMO C[C@@H](NCC[C@H](C)[NH+]1CCCCC1)c1cccc(C#N)c1 ZINC000184505516 525457578 /nfs/dbraw/zinc/45/75/78/525457578.db2.gz CODLVHWZFUSXDM-JKSUJKDBSA-N 1 1 285.435 3.473 20 30 CGEDMO Cc1nc(C)c(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)o1 ZINC000329162041 534881546 /nfs/dbraw/zinc/88/15/46/534881546.db2.gz FWKWACBDEBLQHR-AWEZNQCLSA-N 1 1 291.395 3.155 20 30 CGEDMO C=CC[N@H+](Cc1c[nH]c2nccnc12)Cc1ccccc1F ZINC000356093571 526380273 /nfs/dbraw/zinc/38/02/73/526380273.db2.gz VJHOBAYLTDORMQ-UHFFFAOYSA-N 1 1 296.349 3.237 20 30 CGEDMO C=CC[N@@H+](Cc1c[nH]c2nccnc12)Cc1ccccc1F ZINC000356093571 526380276 /nfs/dbraw/zinc/38/02/76/526380276.db2.gz VJHOBAYLTDORMQ-UHFFFAOYSA-N 1 1 296.349 3.237 20 30 CGEDMO N#Cc1ccc(C[N@H+](C[C@H](O)c2ccccc2)C2CC2)cc1 ZINC000299368836 526609375 /nfs/dbraw/zinc/60/93/75/526609375.db2.gz KINJEPYWLRFNLL-IBGZPJMESA-N 1 1 292.382 3.256 20 30 CGEDMO C=CC[C@@H]1[N@H+](Cc2nnc3n2CCCC3)CCCC1(C)C ZINC000366883366 527119862 /nfs/dbraw/zinc/11/98/62/527119862.db2.gz MAZTZMCMTXUHFE-AWEZNQCLSA-N 1 1 288.439 3.181 20 30 CGEDMO C=CCCCN(C)C(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000347133366 527187147 /nfs/dbraw/zinc/18/71/47/527187147.db2.gz GVYGLMXPGQMJSA-OAHLLOKOSA-N 1 1 294.826 3.367 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)c1ncc(Br)cn1 ZINC000347058689 527194034 /nfs/dbraw/zinc/19/40/34/527194034.db2.gz PZEPNBWFUCPDBP-SNVBAGLBSA-N 1 1 284.201 3.198 20 30 CGEDMO C=CCCC[N@@H+](CC=C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000344579535 527195725 /nfs/dbraw/zinc/19/57/25/527195725.db2.gz IPOSLPFCOJOGMP-OAHLLOKOSA-N 1 1 297.406 3.178 20 30 CGEDMO C/C(=C\c1ccccc1)C[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000426372794 527533250 /nfs/dbraw/zinc/53/32/50/527533250.db2.gz PNXAWUNILHRIHW-OQLLNIDSSA-N 1 1 279.387 3.432 20 30 CGEDMO CC[N@H+]1CC[C@@H](N(C)Cc2cccc(F)c2C#N)C[C@H]1C ZINC000428243964 527755991 /nfs/dbraw/zinc/75/59/91/527755991.db2.gz XNASUHDJMYYQJY-UKRRQHHQSA-N 1 1 289.398 3.002 20 30 CGEDMO CCC[C@H](C)[C@H]1CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000356125803 528082307 /nfs/dbraw/zinc/08/23/07/528082307.db2.gz SNOJKJRSAGOSJM-WCQYABFASA-N 1 1 263.410 3.415 20 30 CGEDMO CCOC1CC(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)C1 ZINC000425538930 528496610 /nfs/dbraw/zinc/49/66/10/528496610.db2.gz SUIJOYFWYULVML-KTAKPFMOSA-N 1 1 272.392 3.366 20 30 CGEDMO CCOC(=O)CCCC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425534930 528694533 /nfs/dbraw/zinc/69/45/33/528694533.db2.gz MQVSRPLGMRIGCA-CQSZACIVSA-N 1 1 288.391 3.284 20 30 CGEDMO CC[N@@H+](C[C@H](OC)C1CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000425408403 528743822 /nfs/dbraw/zinc/74/38/22/528743822.db2.gz SHCBWJBKTCXAKW-DYVFJYSZSA-N 1 1 272.392 3.366 20 30 CGEDMO CC[N@@H+](Cc1ccc(-c2ccccc2C#N)cc1)[C@@H](C)CO ZINC000411771216 528769923 /nfs/dbraw/zinc/76/99/23/528769923.db2.gz NZRMWENSWAEUKY-HNNXBMFYSA-N 1 1 294.398 3.428 20 30 CGEDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000486798019 535656797 /nfs/dbraw/zinc/65/67/97/535656797.db2.gz FLCQYQHJHUARKM-YOEHRIQHSA-N 1 1 299.418 3.397 20 30 CGEDMO C=C(C)CNC(=S)Nc1cccc2c1C[N@H+](CCC)C2 ZINC000727288286 571738940 /nfs/dbraw/zinc/73/89/40/571738940.db2.gz BTWPAEXXVFKZRS-UHFFFAOYSA-N 1 1 289.448 3.275 20 30 CGEDMO C=C(C)CNC(=S)Nc1cccc2c1C[N@@H+](CCC)C2 ZINC000727288286 571738942 /nfs/dbraw/zinc/73/89/42/571738942.db2.gz BTWPAEXXVFKZRS-UHFFFAOYSA-N 1 1 289.448 3.275 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1C#N)C1CCCCC1 ZINC000728569805 571811402 /nfs/dbraw/zinc/81/14/02/571811402.db2.gz OMYKNDPGHSQJLR-UHFFFAOYSA-N 1 1 270.351 3.465 20 30 CGEDMO C#CC[N@H+](Cc1ccc(F)cc1C#N)C1CCCCC1 ZINC000728569805 571811405 /nfs/dbraw/zinc/81/14/05/571811405.db2.gz OMYKNDPGHSQJLR-UHFFFAOYSA-N 1 1 270.351 3.465 20 30 CGEDMO CCCCCCCC[N@H+]1Cc2ccccc2C[C@H]1C(N)=O ZINC000740873676 572464003 /nfs/dbraw/zinc/46/40/03/572464003.db2.gz UTTCURSFDQXMFB-KRWDZBQOSA-N 1 1 288.435 3.259 20 30 CGEDMO CCCCCCC[NH+]1CCC(CN2CCOCC2)CC1 ZINC000740876256 572464867 /nfs/dbraw/zinc/46/48/67/572464867.db2.gz OPVKSJDYZDUOAM-UHFFFAOYSA-N 1 1 282.472 3.001 20 30 CGEDMO C=CC[N@H+](CC1CCCCC1)CN1CCSC1=O ZINC000732670792 572477095 /nfs/dbraw/zinc/47/70/95/572477095.db2.gz LRYXWYBKUPHRTE-UHFFFAOYSA-N 1 1 268.426 3.181 20 30 CGEDMO C=CC[N@@H+](CC1CCCCC1)CN1CCSC1=O ZINC000732670792 572477096 /nfs/dbraw/zinc/47/70/96/572477096.db2.gz LRYXWYBKUPHRTE-UHFFFAOYSA-N 1 1 268.426 3.181 20 30 CGEDMO C[C@H]1CCCCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000734002121 572622041 /nfs/dbraw/zinc/62/20/41/572622041.db2.gz ZSKDESSAMWAPFE-AWEZNQCLSA-N 1 1 258.365 3.353 20 30 CGEDMO C=CC[N@H+](CCOc1ccccc1OCC)C(C)C ZINC000743841798 572686765 /nfs/dbraw/zinc/68/67/65/572686765.db2.gz XKYWBPIUWVCQOX-UHFFFAOYSA-N 1 1 263.381 3.361 20 30 CGEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC2(CCCC2)C1 ZINC000744422119 572751398 /nfs/dbraw/zinc/75/13/98/572751398.db2.gz RIWYKMJURIYJKN-INIZCTEOSA-N 1 1 298.386 3.038 20 30 CGEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC2(CCCC2)C1 ZINC000744422119 572751400 /nfs/dbraw/zinc/75/14/00/572751400.db2.gz RIWYKMJURIYJKN-INIZCTEOSA-N 1 1 298.386 3.038 20 30 CGEDMO CC[N@H+](CC#Cc1ccc(F)cc1)Cc1ccoc1 ZINC000158075708 572854113 /nfs/dbraw/zinc/85/41/13/572854113.db2.gz ZTPFMHWANKQNOL-UHFFFAOYSA-N 1 1 257.308 3.292 20 30 CGEDMO CC[N@@H+](CC#Cc1ccc(F)cc1)Cc1ccoc1 ZINC000158075708 572854116 /nfs/dbraw/zinc/85/41/16/572854116.db2.gz ZTPFMHWANKQNOL-UHFFFAOYSA-N 1 1 257.308 3.292 20 30 CGEDMO C=CC[N@H+](Cc1ccn(-c2cccc(F)c2)n1)C(C)C ZINC000747447853 572928805 /nfs/dbraw/zinc/92/88/05/572928805.db2.gz VEPSGVRTWKXLTJ-UHFFFAOYSA-N 1 1 273.355 3.408 20 30 CGEDMO C=CC[N@@H+](Cc1ccn(-c2cccc(F)c2)n1)C(C)C ZINC000747447853 572928807 /nfs/dbraw/zinc/92/88/07/572928807.db2.gz VEPSGVRTWKXLTJ-UHFFFAOYSA-N 1 1 273.355 3.408 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCC3(CCCC3)C2)cc1 ZINC000747620235 572936706 /nfs/dbraw/zinc/93/67/06/572936706.db2.gz YDXCFVCPHDBCSL-UHFFFAOYSA-N 1 1 257.352 3.443 20 30 CGEDMO C=C(Br)C[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000747668243 572940037 /nfs/dbraw/zinc/94/00/37/572940037.db2.gz CAKINNJLDIBTNU-ZDUSSCGKSA-N 1 1 282.181 3.438 20 30 CGEDMO C=C(Br)C[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000747668243 572940039 /nfs/dbraw/zinc/94/00/39/572940039.db2.gz CAKINNJLDIBTNU-ZDUSSCGKSA-N 1 1 282.181 3.438 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](C)[C@H]1CNC(=O)OC(C)(C)C ZINC000747967038 572956666 /nfs/dbraw/zinc/95/66/66/572956666.db2.gz HYYYHBDIDVUHCO-ZIAGYGMSSA-N 1 1 282.428 3.188 20 30 CGEDMO C=C(C)CC[NH+]1CC(N(CC)C(=O)c2sccc2C)C1 ZINC000949576459 613247672 /nfs/dbraw/zinc/24/76/72/613247672.db2.gz WCCUWEKCXIVYCG-UHFFFAOYSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)C2CCCCC2)CC1 ZINC000980645531 613252016 /nfs/dbraw/zinc/25/20/16/613252016.db2.gz HTALXEUHYUDDKP-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC000981906415 613254489 /nfs/dbraw/zinc/25/44/89/613254489.db2.gz NCENSHMFDZKOCP-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[NH+]1CCN(C(=O)c2cc(Cl)cs2)CC1 ZINC000951192445 613260924 /nfs/dbraw/zinc/26/09/24/613260924.db2.gz NUKBEKPVQCMFKT-UHFFFAOYSA-N 1 1 298.839 3.126 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C2CCCCC2)C1 ZINC000964748008 613264270 /nfs/dbraw/zinc/26/42/70/613264270.db2.gz WYJDJPLAHNCRNK-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2(C)CC=CC2)C1 ZINC000968236572 613264513 /nfs/dbraw/zinc/26/45/13/613264513.db2.gz VAMMOEOFAXCRTP-HZPDHXFCSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2=CCCC2)C[C@@H]1C ZINC000947191605 613265381 /nfs/dbraw/zinc/26/53/81/613265381.db2.gz VGIMRFRDSADUMM-GOEBONIOSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C2(C)CCCC2)C1 ZINC000967525020 613268889 /nfs/dbraw/zinc/26/88/89/613268889.db2.gz LYFZXBZVZITKLF-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2(C)CC(=C)C2)[C@H](C)C1 ZINC000942608203 613270465 /nfs/dbraw/zinc/27/04/65/613270465.db2.gz REXFASARCHJJBG-CVEARBPZSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)/C(C)=C/C)CC[C@@H]2C1 ZINC000946545214 613278345 /nfs/dbraw/zinc/27/83/45/613278345.db2.gz GATYCAHGAIUTED-LMKWDOLGSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)C23CCC(CC2)CC3)C1 ZINC000980456944 613288043 /nfs/dbraw/zinc/28/80/43/613288043.db2.gz MYBBSDVMGOAZQP-PQUAAJSLSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2cc(C)sc2C)C1 ZINC000971885613 613290725 /nfs/dbraw/zinc/29/07/25/613290725.db2.gz OSWZWMQWUNXCSM-AWEZNQCLSA-N 1 1 292.448 3.087 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)c2csc(Cl)c2)CC1 ZINC000982081027 613313437 /nfs/dbraw/zinc/31/34/37/613313437.db2.gz FZNDWLVSVCNMCF-UHFFFAOYSA-N 1 1 298.839 3.126 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)CC2CCC2)CC1 ZINC000948256419 613314572 /nfs/dbraw/zinc/31/45/72/613314572.db2.gz IZQPAESESFQUNC-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC2CC2)C1 ZINC000963229808 613314616 /nfs/dbraw/zinc/31/46/16/613314616.db2.gz IVUHTRKNFIUHPA-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)c2coc(C)c2)CC1 ZINC000948329286 613314868 /nfs/dbraw/zinc/31/48/68/613314868.db2.gz CASLDBGVIFWQBM-INIZCTEOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)[C@H](C)CC2CCCCC2)CC1 ZINC000951166889 613318847 /nfs/dbraw/zinc/31/88/47/613318847.db2.gz VECVVJNBLYEBOF-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)c2cccc(C(C)C)c2)CC1 ZINC000957065228 613320926 /nfs/dbraw/zinc/32/09/26/613320926.db2.gz KEHXGFSBXLIHDP-UHFFFAOYSA-N 1 1 286.419 3.144 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)CC2CCCCC2)C1 ZINC000964770923 613325652 /nfs/dbraw/zinc/32/56/52/613325652.db2.gz JNLKWWVQYOIWFE-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2csc(C)c2)C1 ZINC000968423321 613326534 /nfs/dbraw/zinc/32/65/34/613326534.db2.gz RACBMWXWIBSBBF-IUODEOHRSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2CCCCCC2)[C@@H](C)C1 ZINC000941869214 613327279 /nfs/dbraw/zinc/32/72/79/613327279.db2.gz HLYNAXNNDZZNDN-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cccc(C)c2)[C@@H](C)C1 ZINC000941777098 613329902 /nfs/dbraw/zinc/32/99/02/613329902.db2.gz MOJTXURJGQZTEK-DOTOQJQBSA-N 1 1 286.419 3.011 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2C(C)(C)C2(C)C)C[C@@H]1C ZINC000947174415 613334645 /nfs/dbraw/zinc/33/46/45/613334645.db2.gz KYVBYLUMBQILEO-KBPBESRZSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C)s2)C[C@@H]1C ZINC000947000249 613336059 /nfs/dbraw/zinc/33/60/59/613336059.db2.gz GOSQVAASJQAELF-JSGCOSHPSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cccc(C)c2)C[C@@H]1C ZINC000947021412 613336177 /nfs/dbraw/zinc/33/61/77/613336177.db2.gz OBSAEQGJWIBATQ-RDJZCZTQSA-N 1 1 286.419 3.154 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccsc2)C(C)(C)C1 ZINC000940557153 613336371 /nfs/dbraw/zinc/33/63/71/613336371.db2.gz HUWVADYZJWGTAM-AWEZNQCLSA-N 1 1 292.448 3.155 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000961261500 613337625 /nfs/dbraw/zinc/33/76/25/613337625.db2.gz ARFQUUMNRNXYFO-CVEARBPZSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C2=CCCCCC2)C(C)(C)C1 ZINC000974491310 613337657 /nfs/dbraw/zinc/33/76/57/613337657.db2.gz JTXUBZZJWOYLBX-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccccc2C)C(C)(C)C1 ZINC000972774018 613338621 /nfs/dbraw/zinc/33/86/21/613338621.db2.gz LLESWOAVGMOIMP-MRXNPFEDSA-N 1 1 286.419 3.011 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)C2(CC)CCCC2)C1 ZINC000972644733 613368022 /nfs/dbraw/zinc/36/80/22/613368022.db2.gz KJMLHKLYENKNPK-CQSZACIVSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)C2(CC)CCCC2)C1 ZINC000972644733 613368023 /nfs/dbraw/zinc/36/80/23/613368023.db2.gz KJMLHKLYENKNPK-CQSZACIVSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC000972757023 613368627 /nfs/dbraw/zinc/36/86/27/613368627.db2.gz RUMZYMCRTMMCTA-BPLDGKMQSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC000972757023 613368628 /nfs/dbraw/zinc/36/86/28/613368628.db2.gz RUMZYMCRTMMCTA-BPLDGKMQSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C(C)=C2CCC2)[C@@H](C)C1 ZINC000942041372 613376058 /nfs/dbraw/zinc/37/60/58/613376058.db2.gz LUHACLAPNUSXTL-XHDPSFHLSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C(C)=C2CCC2)[C@@H](C)C1 ZINC000942041372 613376059 /nfs/dbraw/zinc/37/60/59/613376059.db2.gz LUHACLAPNUSXTL-XHDPSFHLSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)C)C[C@@H]2C1 ZINC000980226190 613381575 /nfs/dbraw/zinc/38/15/75/613381575.db2.gz PGYKGSQQSVGJRM-BFHYXJOUSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C1CC(C)(C(=O)N(C)[C@@H]2CCC[N@H+](CCCC)CC2)C1 ZINC000948758076 613392975 /nfs/dbraw/zinc/39/29/75/613392975.db2.gz AIAIONMZFXVNFU-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](CC3CCC3)[C@H](C)C2)C1 ZINC000947701937 613397332 /nfs/dbraw/zinc/39/73/32/613397332.db2.gz HKUNCNDWUHWIPS-GDBMZVCRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[C@@H]2C[N@@H+](C)CC2CC2)CC1 ZINC000960832733 613405101 /nfs/dbraw/zinc/40/51/01/613405101.db2.gz OTAYOVGYRPOZGC-QGZVFWFLSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C1CCC(C(=O)N2CC[C@H]([N@@H+](C)CCC3CC3)C2)CC1 ZINC000972235058 613406013 /nfs/dbraw/zinc/40/60/13/613406013.db2.gz KOHAYCHIXCONAX-KRWDZBQOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[N@@H+](CC2CC(C)(C)C2)CC1 ZINC000981754916 613431248 /nfs/dbraw/zinc/43/12/48/613431248.db2.gz SOIYRRPOXGFJLQ-UHFFFAOYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)[C@H]2CCCC[C@H]2CC)C1 ZINC000957072110 613478595 /nfs/dbraw/zinc/47/85/95/613478595.db2.gz ZMMWSRJKYCAXEQ-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)c2ccc(Cl)cc2)C1 ZINC000957310272 613479599 /nfs/dbraw/zinc/47/95/99/613479599.db2.gz NCOQDABDZYMWBK-UHFFFAOYSA-N 1 1 292.810 3.062 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)c2sc(C)cc2C)C1 ZINC000950429233 613481492 /nfs/dbraw/zinc/48/14/92/613481492.db2.gz BAUXYDZVCLXHGD-UHFFFAOYSA-N 1 1 292.448 3.087 20 30 CGEDMO C=CCC[N@@H+]1CCCC2(CN(C(=O)C3(CC)CCC3)C2)C1 ZINC000981952166 613488567 /nfs/dbraw/zinc/48/85/67/613488567.db2.gz MPYOMDHPCOTZCE-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC000968960088 613491096 /nfs/dbraw/zinc/49/10/96/613491096.db2.gz KIHWPAUOCAJIRZ-SOLBZPMBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC(C)=C(C)C2)CC1 ZINC000981226472 613493715 /nfs/dbraw/zinc/49/37/15/613493715.db2.gz IPDDELJTHGGRFG-QGZVFWFLSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)[C@@]2(C)CCC[C@@H]2CC)CC1 ZINC000981451411 613495223 /nfs/dbraw/zinc/49/52/23/613495223.db2.gz SDTCIAYQFNUFDS-WMZOPIPTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)C[C@@H]2C=CCC2)CC1 ZINC000948173294 613499477 /nfs/dbraw/zinc/49/94/77/613499477.db2.gz JIYBHTZDQPQPQP-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2CCC2)C1 ZINC000963246069 613500267 /nfs/dbraw/zinc/50/02/67/613500267.db2.gz HAZGBHRJRFEXFX-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C=C(C)C)C1 ZINC000963248352 613500309 /nfs/dbraw/zinc/50/03/09/613500309.db2.gz BEPOHYWRROXAEJ-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[NH+]1CCN(C(=O)c2sccc2C(C)C)CC1 ZINC000957762016 613513185 /nfs/dbraw/zinc/51/31/85/613513185.db2.gz WNTMIRCFBZAMRP-UHFFFAOYSA-N 1 1 292.448 3.205 20 30 CGEDMO C=Cc1ccc(C(=O)N[C@H]2C[N@H+](CC(=C)C)CC[C@@H]2C)cc1 ZINC000968339415 613515720 /nfs/dbraw/zinc/51/57/20/613515720.db2.gz GWFPOQNJQRNTBI-YJBOKZPZSA-N 1 1 298.430 3.346 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccoc2CC)C[C@H]1C ZINC000947264892 613525008 /nfs/dbraw/zinc/52/50/08/613525008.db2.gz ABWUSSMAGZBKTM-ZIAGYGMSSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](C)[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC000968565097 613529308 /nfs/dbraw/zinc/52/93/08/613529308.db2.gz DMALZXOKWSUGTJ-QAETUUGQSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)C[C@H]2C=CCC2)C(C)(C)C1 ZINC000940562252 613535779 /nfs/dbraw/zinc/53/57/79/613535779.db2.gz DIGGEGXDZNPYLQ-HOTGVXAUSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C)cc2)C[C@@H]1C ZINC000947971525 613538533 /nfs/dbraw/zinc/53/85/33/613538533.db2.gz OHXXTAVQIKBUNW-RDJZCZTQSA-N 1 1 286.419 3.154 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2sccc2F)C[C@H]1C ZINC000947285289 613542488 /nfs/dbraw/zinc/54/24/88/613542488.db2.gz DEFXXUJYIWHWSL-NEPJUHHUSA-N 1 1 296.411 3.046 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)/C(C)=C\C)C2)C1 ZINC000961136493 613543314 /nfs/dbraw/zinc/54/33/14/613543314.db2.gz INCPMOMJBRXOON-ANNBALGTSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccccc3)C[C@H]2C1 ZINC000979493196 613551105 /nfs/dbraw/zinc/55/11/05/613551105.db2.gz ZBGHHSWTIBBIET-BZSNNMDCSA-N 1 1 298.430 3.093 20 30 CGEDMO C=CCC[N@H+]1C[C@H](NC(=O)CC2CCCCC2)C(C)(C)C1 ZINC000972788535 613554128 /nfs/dbraw/zinc/55/41/28/613554128.db2.gz IPBCSMSNVWVWGL-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+]1C[C@H](NC(=O)CC2=CCCCC2)C(C)(C)C1 ZINC000972968779 613554156 /nfs/dbraw/zinc/55/41/56/613554156.db2.gz SRTYLVAWJGVBNG-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)C[C@H]2CCCCC2(C)C)C1 ZINC000980565991 613629128 /nfs/dbraw/zinc/62/91/28/613629128.db2.gz GVDFKVDMGWOMHH-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC000972613865 613632349 /nfs/dbraw/zinc/63/23/49/613632349.db2.gz CVDBSZNYIDCYDK-ULQDDVLXSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)c2c(C)oc3ccccc32)C1 ZINC000971596989 613634740 /nfs/dbraw/zinc/63/47/40/613634740.db2.gz MUKYJZHFZLYMEQ-AWEZNQCLSA-N 1 1 298.386 3.074 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC000968946810 613684090 /nfs/dbraw/zinc/68/40/90/613684090.db2.gz IHESAXFGHFFNPE-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC000969121854 613686021 /nfs/dbraw/zinc/68/60/21/613686021.db2.gz PILULQPSISVNBC-ULQDDVLXSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2CC(C)C)CC1 ZINC000948789255 613701689 /nfs/dbraw/zinc/70/16/89/613701689.db2.gz KEXQUZIKFYTDTH-BRWVUGGUSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)CC2CCCCC2)CC1 ZINC000948164553 613704102 /nfs/dbraw/zinc/70/41/02/613704102.db2.gz FVQDTTJGMPJVKA-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cscc2Cl)C1 ZINC000966888758 613731337 /nfs/dbraw/zinc/73/13/37/613731337.db2.gz ULLIKJSEZTWATH-MFKMUULPSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)C2CCC=CCC2)C(C)(C)C1 ZINC000941226218 613741924 /nfs/dbraw/zinc/74/19/24/613741924.db2.gz MJJLRCYFGHXVCB-MRXNPFEDSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)cc(C)c2)C[C@H]1C ZINC000947976261 613749054 /nfs/dbraw/zinc/74/90/54/613749054.db2.gz WVKSZKLTOZIMBA-NVXWUHKLSA-N 1 1 286.419 3.072 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cscc2Cl)C[C@H]1C ZINC000947427309 613760454 /nfs/dbraw/zinc/76/04/54/613760454.db2.gz ZZGUIOAPLNNQFM-GHMZBOCLSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2CCC3(CC3)CC2)C[C@H]1C ZINC000947550700 613780214 /nfs/dbraw/zinc/78/02/14/613780214.db2.gz AHEJHYUKAAPOLB-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)c2ccc(C=C)cc2)C(C)(C)C1 ZINC000941052239 613789802 /nfs/dbraw/zinc/78/98/02/613789802.db2.gz OKBSGLCZUDFXMP-KRWDZBQOSA-N 1 1 298.430 3.346 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)s2)C[C@H]1C ZINC000947997983 613790849 /nfs/dbraw/zinc/79/08/49/613790849.db2.gz HFXCZLXITWJCKK-MNOVXSKESA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2coc3ccccc23)C[C@H]1C ZINC000948093781 613798300 /nfs/dbraw/zinc/79/83/00/613798300.db2.gz AKDXTZWQHLZKTR-KGLIPLIRSA-N 1 1 298.386 3.202 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2ccc(C3CC3)cc2)C(C)(C)C1 ZINC000977601530 613810257 /nfs/dbraw/zinc/81/02/57/613810257.db2.gz GVZRTJITSCMFHM-QGZVFWFLSA-N 1 1 298.430 3.190 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)c2coc3ccccc23)C(C)(C)C1 ZINC000977653870 613830252 /nfs/dbraw/zinc/83/02/52/613830252.db2.gz DENQRJWVMSRFDN-INIZCTEOSA-N 1 1 298.386 3.059 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2cccc(F)c2)no1 ZINC000900002970 620743015 /nfs/dbraw/zinc/74/30/15/620743015.db2.gz ABVUJPUAIMZKQI-GFCCVEGCSA-N 1 1 261.300 3.232 20 30 CGEDMO CC(C)N(C)c1ccc(C=[NH+]OC/C=C/Cl)cn1 ZINC000811668159 617690779 /nfs/dbraw/zinc/69/07/79/617690779.db2.gz BWTSITAPEBCLFF-JEVKGGJXSA-N 1 1 267.760 3.029 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000843423487 617840165 /nfs/dbraw/zinc/84/01/65/617840165.db2.gz FPZFNZSKUZQFDC-LBPRGKRZSA-N 1 1 263.768 3.281 20 30 CGEDMO C#CC[C@H](Cc1ccccc1)Nc1cc(CC)[nH+]c(C)n1 ZINC000804810173 617849433 /nfs/dbraw/zinc/84/94/33/617849433.db2.gz QSMTZCQEHODQRJ-QGZVFWFLSA-N 1 1 279.387 3.394 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(CC)CC)C1 ZINC001021522769 618022156 /nfs/dbraw/zinc/02/21/56/618022156.db2.gz JBIMLPHBOMWFLK-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc(C)cc2)C1 ZINC001021722104 618111592 /nfs/dbraw/zinc/11/15/92/618111592.db2.gz LEOIVNLTHIACKA-ROUUACIJSA-N 1 1 298.430 3.108 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](Cc2nc(C)cs2)C1 ZINC000933125859 618158415 /nfs/dbraw/zinc/15/84/15/618158415.db2.gz KEVOONRWAWQLNH-CYBMUJFWSA-N 1 1 250.411 3.282 20 30 CGEDMO CC(C)C[N@H+](CCC#N)C[C@H]1C[C@@]1(C)Br ZINC000891464988 618228675 /nfs/dbraw/zinc/22/86/75/618228675.db2.gz MSGPPBOTAIHZOU-VXGBXAGGSA-N 1 1 273.218 3.032 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)C[C@H]1C[C@@]1(C)Br ZINC000891464988 618228676 /nfs/dbraw/zinc/22/86/76/618228676.db2.gz MSGPPBOTAIHZOU-VXGBXAGGSA-N 1 1 273.218 3.032 20 30 CGEDMO N#Cc1ccc(N2CCC(c3[nH]cc[nH+]3)CC2)c(Cl)c1 ZINC000892152392 618560337 /nfs/dbraw/zinc/56/03/37/618560337.db2.gz SSLMGIWMPOKWIO-UHFFFAOYSA-N 1 1 286.766 3.319 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1ccc(C#N)cc1Br ZINC000934461032 618623800 /nfs/dbraw/zinc/62/38/00/618623800.db2.gz OTUJKUXRPRSVGE-ZDUSSCGKSA-N 1 1 291.192 3.471 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1Br ZINC000934461032 618623802 /nfs/dbraw/zinc/62/38/02/618623802.db2.gz OTUJKUXRPRSVGE-ZDUSSCGKSA-N 1 1 291.192 3.471 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1cc(C#N)ccc1Br ZINC000934462972 618624635 /nfs/dbraw/zinc/62/46/35/618624635.db2.gz VOEOGEGXYKXYMY-ZDUSSCGKSA-N 1 1 291.192 3.471 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1cc(C#N)ccc1Br ZINC000934462972 618624636 /nfs/dbraw/zinc/62/46/36/618624636.db2.gz VOEOGEGXYKXYMY-ZDUSSCGKSA-N 1 1 291.192 3.471 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000934468989 618626076 /nfs/dbraw/zinc/62/60/76/618626076.db2.gz MCDZTCONMOYNGN-CQSZACIVSA-N 1 1 276.767 3.393 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000934468989 618626077 /nfs/dbraw/zinc/62/60/77/618626077.db2.gz MCDZTCONMOYNGN-CQSZACIVSA-N 1 1 276.767 3.393 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1ccccc1CC ZINC000934472438 618628674 /nfs/dbraw/zinc/62/86/74/618628674.db2.gz QSOIFHDQSWGQIT-HIFRSBDPSA-N 1 1 272.392 3.226 20 30 CGEDMO C#CCCCCCC(=O)NC[C@@H]1CCCC[N@@H+]1CCCC ZINC000780448757 618659540 /nfs/dbraw/zinc/65/95/40/618659540.db2.gz DRDFKZJPPUUMDU-KRWDZBQOSA-N 1 1 292.467 3.341 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000158613818 618733085 /nfs/dbraw/zinc/73/30/85/618733085.db2.gz TWWYICIMUINICP-KRWDZBQOSA-N 1 1 294.439 3.286 20 30 CGEDMO CC(C)C[N@H+](CCC#N)CCOCc1ccccc1 ZINC000309763908 618768765 /nfs/dbraw/zinc/76/87/65/618768765.db2.gz YWEOKBBOFQHBPB-UHFFFAOYSA-N 1 1 260.381 3.075 20 30 CGEDMO Oc1ccccc1/C=N\C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000255692691 618777889 /nfs/dbraw/zinc/77/78/89/618777889.db2.gz BZRONSYOQCBJRZ-YNGKYYQNSA-N 1 1 294.398 3.476 20 30 CGEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C\c2cccnc2)cc1 ZINC000255698440 618779023 /nfs/dbraw/zinc/77/90/23/618779023.db2.gz ADVKSSPIEDFJFG-WTKPLQERSA-N 1 1 289.338 3.472 20 30 CGEDMO C[C@@H](CC(C)(C)C#N)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000926707787 618832474 /nfs/dbraw/zinc/83/24/74/618832474.db2.gz VEKSXEJOJZLAMV-GJZGRUSLSA-N 1 1 277.456 3.311 20 30 CGEDMO C[C@@H](CC(C)(C)C#N)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000926707787 618832476 /nfs/dbraw/zinc/83/24/76/618832476.db2.gz VEKSXEJOJZLAMV-GJZGRUSLSA-N 1 1 277.456 3.311 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)CC2=CCCCC2)C1 ZINC001006932543 618873492 /nfs/dbraw/zinc/87/34/92/618873492.db2.gz KSZFVBNLCJIEJO-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO CCO[C@H](C)c1nc(CO[NH+]=C(N)C2CCCC2)cs1 ZINC000172582846 618937725 /nfs/dbraw/zinc/93/77/25/618937725.db2.gz HPBHZUGYXVKICJ-SNVBAGLBSA-N 1 1 297.424 3.220 20 30 CGEDMO C=C(Br)C[NH2+]Cc1cc(Cl)ccc1F ZINC000119082011 618975018 /nfs/dbraw/zinc/97/50/18/618975018.db2.gz AZKAGQQMMMFZGG-UHFFFAOYSA-N 1 1 278.552 3.477 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000775183038 619002985 /nfs/dbraw/zinc/00/29/85/619002985.db2.gz GQIUMAALQBDXSC-VIFPVBQESA-N 1 1 259.246 3.298 20 30 CGEDMO CC1(C)C[N@@H+](CC2CCC(C#N)CC2)[C@H]1[C@H]1CCCO1 ZINC000930506934 619008109 /nfs/dbraw/zinc/00/81/09/619008109.db2.gz AAUBXAYKOFSMNK-FJBKBRRZSA-N 1 1 276.424 3.206 20 30 CGEDMO CCn1cc(C[NH2+][C@H](CCC#N)c2ccccc2)c(C)n1 ZINC000893195145 619025424 /nfs/dbraw/zinc/02/54/24/619025424.db2.gz UHBBKKVFQHQGSU-QGZVFWFLSA-N 1 1 282.391 3.346 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000930693629 619059001 /nfs/dbraw/zinc/05/90/01/619059001.db2.gz QXBSXVBUJVXQQV-QGZVFWFLSA-N 1 1 284.403 3.055 20 30 CGEDMO N#CC1CCC(C[N@H+]2CC[C@H](c3cccnc3)C2)CC1 ZINC000930813665 619078443 /nfs/dbraw/zinc/07/84/43/619078443.db2.gz CPONVXVNTFBOLK-DQPZFDDXSA-N 1 1 269.392 3.201 20 30 CGEDMO CCCCCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247966819 619093533 /nfs/dbraw/zinc/09/35/33/619093533.db2.gz GXORRYAPTBYTDZ-JKSUJKDBSA-N 1 1 252.446 3.373 20 30 CGEDMO CCCCCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247966819 619093536 /nfs/dbraw/zinc/09/35/36/619093536.db2.gz GXORRYAPTBYTDZ-JKSUJKDBSA-N 1 1 252.446 3.373 20 30 CGEDMO CCCCCCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247966819 619093538 /nfs/dbraw/zinc/09/35/38/619093538.db2.gz GXORRYAPTBYTDZ-JKSUJKDBSA-N 1 1 252.446 3.373 20 30 CGEDMO CCCCCCCN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247966819 619093540 /nfs/dbraw/zinc/09/35/40/619093540.db2.gz GXORRYAPTBYTDZ-JKSUJKDBSA-N 1 1 252.446 3.373 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001009612122 619182368 /nfs/dbraw/zinc/18/23/68/619182368.db2.gz PRTKGSXLNBXYMK-GOSISDBHSA-N 1 1 298.430 3.334 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+]1CCC[C@H]1CSC ZINC000093761308 619214593 /nfs/dbraw/zinc/21/45/93/619214593.db2.gz VMNNGJXNYURDFK-HNNXBMFYSA-N 1 1 275.417 3.026 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCSCC[C@@H]2C)cc1 ZINC000248808347 619215002 /nfs/dbraw/zinc/21/50/02/619215002.db2.gz CAOJPCPLDJWFPU-UONOGXRCSA-N 1 1 290.432 3.305 20 30 CGEDMO CC1(C)[C@H](c2ccccc2Cl)CC[N@H+]1C[C@H](O)CC#N ZINC000931688076 619233508 /nfs/dbraw/zinc/23/35/08/619233508.db2.gz CLNXJWONVOCFBZ-OCCSQVGLSA-N 1 1 292.810 3.182 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894003779 619350345 /nfs/dbraw/zinc/35/03/45/619350345.db2.gz RQIMTAPQZBOXSU-UHFFFAOYSA-N 1 1 286.379 3.030 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894003779 619350348 /nfs/dbraw/zinc/35/03/48/619350348.db2.gz RQIMTAPQZBOXSU-UHFFFAOYSA-N 1 1 286.379 3.030 20 30 CGEDMO Cc1ccc(C)c(C[N@@H+](C)Cc2ccc(C#N)o2)c1 ZINC000432909455 619371887 /nfs/dbraw/zinc/37/18/87/619371887.db2.gz GQDQMCNSGOUMJM-UHFFFAOYSA-N 1 1 254.333 3.400 20 30 CGEDMO N#CCCc1ccc(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)cc1 ZINC000928399559 619515775 /nfs/dbraw/zinc/51/57/75/619515775.db2.gz RKQDMNOCLUTHCD-IRXDYDNUSA-N 1 1 297.402 3.098 20 30 CGEDMO C[C@H](C#N)C[NH2+]Cc1cc2ccnc(Cl)c2s1 ZINC000894453798 619541397 /nfs/dbraw/zinc/54/13/97/619541397.db2.gz YOAAJXOXLUKXBF-MRVPVSSYSA-N 1 1 265.769 3.199 20 30 CGEDMO C[N@@H+](Cc1csc(C#N)c1)C1CC(OC(C)(C)C)C1 ZINC000894981102 619691421 /nfs/dbraw/zinc/69/14/21/619691421.db2.gz WPTLXUUTSMULFK-UHFFFAOYSA-N 1 1 278.421 3.398 20 30 CGEDMO CC(C)Cc1noc(CO[NH+]=C(N)C2CCCCCC2)n1 ZINC000179003690 619733874 /nfs/dbraw/zinc/73/38/74/619733874.db2.gz WPSVRQXEADRQIA-UHFFFAOYSA-N 1 1 294.399 3.027 20 30 CGEDMO C#CCC(C)(C)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000185522205 619742225 /nfs/dbraw/zinc/74/22/25/619742225.db2.gz DVJKMALMJYPZOK-HNNXBMFYSA-N 1 1 292.467 3.053 20 30 CGEDMO N#Cc1ccc(C2([NH2+]Cc3nccn3C3CC3)CCC2)cc1 ZINC000895214708 619783006 /nfs/dbraw/zinc/78/30/06/619783006.db2.gz GPIJRKJJRDTTJX-UHFFFAOYSA-N 1 1 292.386 3.259 20 30 CGEDMO COc1c(C)cc(C(C)=NNc2cc[nH+]cc2)cc1Cl ZINC000794928180 619787443 /nfs/dbraw/zinc/78/74/43/619787443.db2.gz TUNIKXOVXVSJTO-UHFFFAOYSA-N 1 1 289.766 3.310 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)c(C)c1 ZINC000895314409 619804385 /nfs/dbraw/zinc/80/43/85/619804385.db2.gz VNIIHCDSOGMQHH-CQSZACIVSA-N 1 1 258.365 3.129 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2ccnn2C2CCC2)C1 ZINC000895337741 619807190 /nfs/dbraw/zinc/80/71/90/619807190.db2.gz KSZZUPRBMHNMAE-AWEZNQCLSA-N 1 1 259.397 3.396 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000054358066 619835668 /nfs/dbraw/zinc/83/56/68/619835668.db2.gz QKJJQMPYJRSMMI-UHFFFAOYSA-N 1 1 286.419 3.321 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2cnn(CC3CCC3)c2)C1 ZINC000895561210 619850104 /nfs/dbraw/zinc/85/01/04/619850104.db2.gz YADUKNQPOLFOIP-AWEZNQCLSA-N 1 1 259.397 3.081 20 30 CGEDMO C=C(C)C[C@H]([NH2+]CCC(C)(C)SC)C(=O)OCC ZINC000895598130 619856556 /nfs/dbraw/zinc/85/65/56/619856556.db2.gz NKZIODROHIWWBZ-LBPRGKRZSA-N 1 1 273.442 3.006 20 30 CGEDMO C[C@H]1C[C@H](Nc2ccc(C3CC3)c(C#N)c2)CC[N@H+]1C ZINC000895639647 619862879 /nfs/dbraw/zinc/86/28/79/619862879.db2.gz OECZIJYDYSBYGT-BLLLJJGKSA-N 1 1 269.392 3.330 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCS[C@@H](C(F)(F)F)C1 ZINC000896456286 620011848 /nfs/dbraw/zinc/01/18/48/620011848.db2.gz RPENTIAASQDUQW-SNVBAGLBSA-N 1 1 280.359 3.296 20 30 CGEDMO C=C1CCC(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000896693689 620047886 /nfs/dbraw/zinc/04/78/86/620047886.db2.gz OMFQDEFOFHGKFM-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)c2csc(C)c2C)CC1 ZINC000985446504 620191145 /nfs/dbraw/zinc/19/11/45/620191145.db2.gz GSVCIPKWJQMYIO-UHFFFAOYSA-N 1 1 292.448 3.087 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC=CCCC2)CC1 ZINC000985495453 620200423 /nfs/dbraw/zinc/20/04/23/620200423.db2.gz CSWXQTMZSBUQNS-MRXNPFEDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(Br)C[NH2+]Cc1sccc1Cl ZINC000193086786 620204059 /nfs/dbraw/zinc/20/40/59/620204059.db2.gz PRKREXVUTGQFMH-UHFFFAOYSA-N 1 1 266.591 3.400 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2CCCC[C@H]2C)CC1 ZINC000985614753 620221711 /nfs/dbraw/zinc/22/17/11/620221711.db2.gz SUJCTCQVWQYTDN-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2CC23CCCC3)CC1 ZINC000985738279 620234271 /nfs/dbraw/zinc/23/42/71/620234271.db2.gz PFJPXPXGEYEJLM-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)[C@H]2CC23CCCC3)CC1 ZINC000989416827 620411341 /nfs/dbraw/zinc/41/13/41/620411341.db2.gz QUKULXLSBVVUQF-MRXNPFEDSA-N 1 1 290.451 3.067 20 30 CGEDMO COc1ccsc1C[N@H+](C)Cc1cc(C#N)cs1 ZINC000897625754 620412336 /nfs/dbraw/zinc/41/23/36/620412336.db2.gz NFIVWIKNRLJOMZ-UHFFFAOYSA-N 1 1 278.402 3.322 20 30 CGEDMO COc1ccsc1C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000897625754 620412338 /nfs/dbraw/zinc/41/23/38/620412338.db2.gz NFIVWIKNRLJOMZ-UHFFFAOYSA-N 1 1 278.402 3.322 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)c2ccc(C)cc2C)CC1 ZINC000989595412 620518336 /nfs/dbraw/zinc/51/83/36/620518336.db2.gz ZISPEQZELMANJJ-UHFFFAOYSA-N 1 1 286.419 3.027 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)C2CCC=CCC2)CC1 ZINC000989688548 620520803 /nfs/dbraw/zinc/52/08/03/620520803.db2.gz WYZTYGWIBNVHCM-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)C(C)(CC)CC)CC1 ZINC000989702573 620521570 /nfs/dbraw/zinc/52/15/70/620521570.db2.gz UCZUNWCBWQSRLO-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)C3CCCC3)CCC[C@@H]12 ZINC000989897473 620529816 /nfs/dbraw/zinc/52/98/16/620529816.db2.gz UKVDXIKJIGUDSX-AEFFLSMTSA-N 1 1 290.451 3.256 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)c3cccs3)CCC[C@@H]12 ZINC000989925627 620532531 /nfs/dbraw/zinc/53/25/31/620532531.db2.gz OFQHOPIDXGPTJT-GDBMZVCRSA-N 1 1 290.432 3.051 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)c3ccsc3)CCC[C@H]12 ZINC000989935455 620533224 /nfs/dbraw/zinc/53/32/24/620533224.db2.gz GRDKGNBKVIVBGW-HOCLYGCPSA-N 1 1 290.432 3.051 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)C(F)=C3CCCC3)CCC[C@H]12 ZINC000990224737 620539303 /nfs/dbraw/zinc/53/93/03/620539303.db2.gz SYTXTCPJEUBWKH-WMLDXEAASA-N 1 1 292.398 3.083 20 30 CGEDMO C[C@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1cccc(C#N)c1 ZINC000927107648 620576937 /nfs/dbraw/zinc/57/69/37/620576937.db2.gz HJNRGAGIDREMMG-LBPRGKRZSA-N 1 1 280.375 3.020 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000898516312 620595196 /nfs/dbraw/zinc/59/51/96/620595196.db2.gz PXEIFYGSNSTMCP-PMPSAXMXSA-N 1 1 264.413 3.065 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000898516021 620595205 /nfs/dbraw/zinc/59/52/05/620595205.db2.gz KHMICLPPUHLRMJ-GJZGRUSLSA-N 1 1 290.432 3.258 20 30 CGEDMO CC1(C)CC[N@@H+](CCN=Cc2cc3ccccc3[nH]c2=O)C1 ZINC000899231822 620628838 /nfs/dbraw/zinc/62/88/38/620628838.db2.gz HRAARQJJFQBHFK-XDHOZWIPSA-N 1 1 297.402 3.091 20 30 CGEDMO CC(=[NH+]Nc1ccnn1C)c1ccc(N2CCCCC2)cc1 ZINC000901223885 620847220 /nfs/dbraw/zinc/84/72/20/620847220.db2.gz MGDQHNGYULVOLP-UHFFFAOYSA-N 1 1 297.406 3.247 20 30 CGEDMO C=CCc1cc(CNc2cc(C)[nH+]c(C)n2)cc(OC)c1O ZINC000902170924 621184043 /nfs/dbraw/zinc/18/40/43/621184043.db2.gz ZATVVTMSXIDZLU-UHFFFAOYSA-N 1 1 299.374 3.148 20 30 CGEDMO C=CC[C@H]([NH2+][C@H](C)c1cn(CCC)nn1)c1ccncc1 ZINC000902807351 621443904 /nfs/dbraw/zinc/44/39/04/621443904.db2.gz YFHWKZOPEDVDJC-HIFRSBDPSA-N 1 1 285.395 3.051 20 30 CGEDMO CC[C@@H]([NH2+][C@H](C)c1cc(C#N)ccn1)c1c(C)noc1C ZINC000902888072 621485450 /nfs/dbraw/zinc/48/54/50/621485450.db2.gz PUNXIIWTYVMRDC-QMTHXVAHSA-N 1 1 284.363 3.360 20 30 CGEDMO C[C@H]([NH2+]C1(c2cccc(F)c2)CC1)c1cc(C#N)ccn1 ZINC000902914960 621495485 /nfs/dbraw/zinc/49/54/85/621495485.db2.gz LJRMUMPUWDBJSX-LBPRGKRZSA-N 1 1 281.334 3.432 20 30 CGEDMO CCc1ncc(C[NH2+][C@@H](CC)c2cccc(C#N)c2)o1 ZINC000903011034 621532673 /nfs/dbraw/zinc/53/26/73/621532673.db2.gz AJGAQUJYCPCAEZ-HNNXBMFYSA-N 1 1 269.348 3.350 20 30 CGEDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(C#N)CCC1 ZINC000903032428 621534963 /nfs/dbraw/zinc/53/49/63/621534963.db2.gz SQBFRGITOSPLJD-LBPRGKRZSA-N 1 1 273.336 3.248 20 30 CGEDMO C=CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccncc1 ZINC000903098919 621571873 /nfs/dbraw/zinc/57/18/73/621571873.db2.gz VIJYTFBOVTUFFP-ZCTYVAAUSA-N 1 1 297.446 3.446 20 30 CGEDMO C=CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccncc1 ZINC000903098919 621571882 /nfs/dbraw/zinc/57/18/82/621571882.db2.gz VIJYTFBOVTUFFP-ZCTYVAAUSA-N 1 1 297.446 3.446 20 30 CGEDMO CC(C)(C#N)C[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000903100041 621572693 /nfs/dbraw/zinc/57/26/93/621572693.db2.gz HIQZVEHQFKSSIF-ZDUSSCGKSA-N 1 1 250.292 3.091 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1ccc([S@@](C)=O)cc1 ZINC000903109596 621582611 /nfs/dbraw/zinc/58/26/11/621582611.db2.gz SCELXISNUNESMB-ZUOKHONESA-N 1 1 290.432 3.159 20 30 CGEDMO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2c3ccccc3OC[C@@H]2F)C1 ZINC000903270417 621656698 /nfs/dbraw/zinc/65/66/98/621656698.db2.gz DLBPPMBQSCZKDD-TWJWRFFLSA-N 1 1 274.339 3.130 20 30 CGEDMO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](c1ncccn1)C1CC1)CC2 ZINC000903326598 621700208 /nfs/dbraw/zinc/70/02/08/621700208.db2.gz YZNSFUUKAHRKIC-DLBZAZTESA-N 1 1 290.370 3.076 20 30 CGEDMO C=CC[N@@H+](Cc1ccc2cc[nH]c2c1)[C@H](C)COC ZINC000903463993 621753534 /nfs/dbraw/zinc/75/35/34/621753534.db2.gz VQHKKNHCUDATFX-CYBMUJFWSA-N 1 1 258.365 3.191 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000903446246 621758663 /nfs/dbraw/zinc/75/86/63/621758663.db2.gz UYOWCTUSNNCAKE-IEBWSBKVSA-N 1 1 297.446 3.139 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCCC[C@@H]2C2(CN)CCC2)cc1 ZINC000903812596 621814494 /nfs/dbraw/zinc/81/44/94/621814494.db2.gz UNZKUQOJLZTRSP-GOSISDBHSA-N 1 1 297.446 3.084 20 30 CGEDMO N#Cc1ccc(CC[N@@H+]2CCCC[C@@H]2C2(CN)CCC2)cc1 ZINC000903812596 621814497 /nfs/dbraw/zinc/81/44/97/621814497.db2.gz UNZKUQOJLZTRSP-GOSISDBHSA-N 1 1 297.446 3.084 20 30 CGEDMO C=CC[N@H+](C[C@H](N)CC(F)F)CC1CCCCC1 ZINC000903892709 621827836 /nfs/dbraw/zinc/82/78/36/621827836.db2.gz LWSMIMUZONMSNA-CYBMUJFWSA-N 1 1 260.372 3.037 20 30 CGEDMO C=CCN(C[C@H]([NH3+])CC(F)F)CC1CCCCC1 ZINC000903892709 621827833 /nfs/dbraw/zinc/82/78/33/621827833.db2.gz LWSMIMUZONMSNA-CYBMUJFWSA-N 1 1 260.372 3.037 20 30 CGEDMO C=CC[N@@H+](C[C@H](N)CC(F)F)CC1CCCCC1 ZINC000903892709 621827834 /nfs/dbraw/zinc/82/78/34/621827834.db2.gz LWSMIMUZONMSNA-CYBMUJFWSA-N 1 1 260.372 3.037 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc([C@H]2CCCCS2)no1 ZINC000904637715 621949439 /nfs/dbraw/zinc/94/94/39/621949439.db2.gz BEXBOIBBGZPZMZ-WDEREUQCSA-N 1 1 267.398 3.384 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(Cc2ccc(C)s2)no1 ZINC000904722645 621956343 /nfs/dbraw/zinc/95/63/43/621956343.db2.gz VRIJPNDLWHQQAL-LBPRGKRZSA-N 1 1 277.393 3.386 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)C[C@H]3C=CCCC3)CCC[C@@H]12 ZINC000991333734 622536995 /nfs/dbraw/zinc/53/69/95/622536995.db2.gz SAPWJPYQGTUZEM-LZLYRXPVSA-N 1 1 288.435 3.032 20 30 CGEDMO N#Cc1ccccc1CO[NH+]=C(N)CCCc1ccccc1 ZINC000060875393 623078866 /nfs/dbraw/zinc/07/88/66/623078866.db2.gz FYSSPSBHLLIUGS-UHFFFAOYSA-N 1 1 293.370 3.370 20 30 CGEDMO CC[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C[C@@H](C)C#N ZINC000171065541 623130507 /nfs/dbraw/zinc/13/05/07/623130507.db2.gz LVOCMSCWKYJTSB-LBPRGKRZSA-N 1 1 290.407 3.377 20 30 CGEDMO CC[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C[C@@H](C)C#N ZINC000171065541 623130512 /nfs/dbraw/zinc/13/05/12/623130512.db2.gz LVOCMSCWKYJTSB-LBPRGKRZSA-N 1 1 290.407 3.377 20 30 CGEDMO C#CC[N@@H+](CCc1ccncc1)[C@@H]1CCc2ccccc21 ZINC000171627042 623178286 /nfs/dbraw/zinc/17/82/86/623178286.db2.gz IVXRNSNIPBHDBU-LJQANCHMSA-N 1 1 276.383 3.247 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H](C)Cc1ccccc1OC ZINC000174035603 623354966 /nfs/dbraw/zinc/35/49/66/623354966.db2.gz HBSSFTLXSKZJIP-LBPRGKRZSA-N 1 1 253.773 3.311 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H](C)Cc1ccccc1OC ZINC000174035603 623354973 /nfs/dbraw/zinc/35/49/73/623354973.db2.gz HBSSFTLXSKZJIP-LBPRGKRZSA-N 1 1 253.773 3.311 20 30 CGEDMO CCOc1ccccc1OCC[N@H+](CCC#N)CC(C)C ZINC000088401873 623444434 /nfs/dbraw/zinc/44/44/34/623444434.db2.gz OKMNFGHXWCPTNM-UHFFFAOYSA-N 1 1 290.407 3.336 20 30 CGEDMO CCOc1ccccc1OCC[N@@H+](CCC#N)CC(C)C ZINC000088401873 623444445 /nfs/dbraw/zinc/44/44/45/623444445.db2.gz OKMNFGHXWCPTNM-UHFFFAOYSA-N 1 1 290.407 3.336 20 30 CGEDMO CC(=[NH+]Nc1ccc(C#N)cc1)c1ccc(N)cc1C ZINC000758106363 623491617 /nfs/dbraw/zinc/49/16/17/623491617.db2.gz HWXNXKRMFNPHPM-UHFFFAOYSA-N 1 1 264.332 3.285 20 30 CGEDMO CC1(C)CC(=[NH+]OC2CCCC2)c2cc(N)ccc2O1 ZINC000814894788 625667445 /nfs/dbraw/zinc/66/74/45/625667445.db2.gz RITOWJYDYIYMED-UHFFFAOYSA-N 1 1 274.364 3.493 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)CC2CCCCC2)[C@@H]1C ZINC000993007951 623785269 /nfs/dbraw/zinc/78/52/69/623785269.db2.gz ZVCDUQDHCIFPTE-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C[C@H](CC#N)[N@H+](C)CCC1(C(=O)OC(C)(C)C)CCC1 ZINC000929831488 623808779 /nfs/dbraw/zinc/80/87/79/623808779.db2.gz OVIHSJUIFMTZCR-CYBMUJFWSA-N 1 1 280.412 3.122 20 30 CGEDMO C[C@H](CC#N)[N@@H+](C)CCC1(C(=O)OC(C)(C)C)CCC1 ZINC000929831488 623808780 /nfs/dbraw/zinc/80/87/80/623808780.db2.gz OVIHSJUIFMTZCR-CYBMUJFWSA-N 1 1 280.412 3.122 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)CC2CCC2)[C@H]1C ZINC000993193567 623930521 /nfs/dbraw/zinc/93/05/21/623930521.db2.gz BCIIXZANWQTXEX-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2cscc2C)[C@@H]1C ZINC000993198950 623944257 /nfs/dbraw/zinc/94/42/57/623944257.db2.gz FWZHCUYPJWCVPU-ZFWWWQNUSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3occc3c2)[C@H]1C ZINC000993386399 624039894 /nfs/dbraw/zinc/03/98/94/624039894.db2.gz VKAJVQJETSSYQJ-CZUORRHYSA-N 1 1 298.386 3.202 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C2(C3CC3)CCC2)[C@@H]1C ZINC000993651928 624055582 /nfs/dbraw/zinc/05/55/82/624055582.db2.gz AMVJSBOQOIOSMN-GOEBONIOSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2occc2CC)[C@H]1C ZINC000993788782 624064203 /nfs/dbraw/zinc/06/42/03/624064203.db2.gz LDUWWUOEJSZNEW-HIFRSBDPSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CC[N@@H+](C[C@H](O)COCc1ccccc1Cl)C(C)C ZINC000917069752 624233958 /nfs/dbraw/zinc/23/39/58/624233958.db2.gz UNLFSMLXUADWFE-HNNXBMFYSA-N 1 1 297.826 3.114 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C2CCC(C)(C)CC2)[C@@H]1C ZINC000994498442 624242486 /nfs/dbraw/zinc/24/24/86/624242486.db2.gz TXXVVAJZBHWNPB-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCn1c(C)nn(C[N@@H+](CC)C[C@@H](C)CC)c1=S ZINC000174946220 624605166 /nfs/dbraw/zinc/60/51/66/624605166.db2.gz NQHNGGMAAMLLRE-LBPRGKRZSA-N 1 1 282.457 3.234 20 30 CGEDMO C=CCn1c(C)nn(C[N@H+](CC)C[C@@H](C)CC)c1=S ZINC000174946220 624605169 /nfs/dbraw/zinc/60/51/69/624605169.db2.gz NQHNGGMAAMLLRE-LBPRGKRZSA-N 1 1 282.457 3.234 20 30 CGEDMO CCCCC(N)=[NH+]OCc1nnc(-c2ccc(C)cc2)o1 ZINC000067954057 624664247 /nfs/dbraw/zinc/66/42/47/624664247.db2.gz IGMPISDRTPVFLV-UHFFFAOYSA-N 1 1 288.351 3.024 20 30 CGEDMO C#CC[N@H+](CCCCCn1cccn1)Cc1ccc(F)cc1 ZINC000068458828 624719522 /nfs/dbraw/zinc/71/95/22/624719522.db2.gz OKZGAXBZXMBHKV-UHFFFAOYSA-N 1 1 299.393 3.328 20 30 CGEDMO C[C@@H](C#N)C[NH2+]Cc1ccc(SC(F)F)cc1 ZINC000183835976 625146668 /nfs/dbraw/zinc/14/66/68/625146668.db2.gz MEFMFRBGWWQBKK-VIFPVBQESA-N 1 1 256.321 3.251 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[C@@H]2CC)CC1 ZINC001001116422 625890971 /nfs/dbraw/zinc/89/09/71/625890971.db2.gz AGIPTSWIHNYBGW-IRXDYDNUSA-N 1 1 290.451 3.137 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccnn2C2CCC2)CCCCC1 ZINC000922248962 625989984 /nfs/dbraw/zinc/98/99/84/625989984.db2.gz DFXHMZPQGMPHFX-UHFFFAOYSA-N 1 1 272.396 3.172 20 30 CGEDMO N#CC1(C[NH2+]Cc2cnn(C3CCC3)c2)CCCCC1 ZINC000922249992 625990028 /nfs/dbraw/zinc/99/00/28/625990028.db2.gz LPWKLJMNELDBDU-UHFFFAOYSA-N 1 1 272.396 3.172 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1nc2c(s1)CCC2 ZINC000922473524 626007916 /nfs/dbraw/zinc/00/79/16/626007916.db2.gz ULVIQGRSYYECIJ-UHFFFAOYSA-N 1 1 297.427 3.410 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2CCC2)CC1 ZINC001004319677 626037365 /nfs/dbraw/zinc/03/73/65/626037365.db2.gz PVZSOROKQMVAGU-QGZVFWFLSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)C(C)C)CC1 ZINC001004356398 626042287 /nfs/dbraw/zinc/04/22/87/626042287.db2.gz XSPMFTHSPSHWNC-HNNXBMFYSA-N 1 1 298.858 3.098 20 30 CGEDMO N#Cc1ccc(OCCC[N@H+]2CCCC3(CC3)C2)cc1 ZINC000186978552 626085331 /nfs/dbraw/zinc/08/53/31/626085331.db2.gz FMRQDXXIDYPQIE-UHFFFAOYSA-N 1 1 270.376 3.203 20 30 CGEDMO CCC(=NNc1cc[nH+]cc1)c1ccc(F)cc1F ZINC000814900268 626092288 /nfs/dbraw/zinc/09/22/88/626092288.db2.gz LAEGODTVXGYWTD-UHFFFAOYSA-N 1 1 261.275 3.008 20 30 CGEDMO C=CCCC[N@H+]1CCOC[C@H]1C[C@@H]1CNc2ccccc21 ZINC000923556568 626164096 /nfs/dbraw/zinc/16/40/96/626164096.db2.gz POVGOFXVNCOXKY-HZPDHXFCSA-N 1 1 286.419 3.253 20 30 CGEDMO CCCCCCCC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000838136480 626194478 /nfs/dbraw/zinc/19/44/78/626194478.db2.gz AHXIXJKOTDCEEV-HNNXBMFYSA-N 1 1 268.445 3.195 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000751482388 626392695 /nfs/dbraw/zinc/39/26/95/626392695.db2.gz LVFHRTJFORSXGS-SFHVURJKSA-N 1 1 293.370 3.321 20 30 CGEDMO C[C@H]1C[N@@H+](C)CC1N=Nc1ccnc2cc(Cl)ccc12 ZINC000752154936 626420428 /nfs/dbraw/zinc/42/04/28/626420428.db2.gz MFDDSQDYQROWPS-JTQLQIEISA-N 1 1 288.782 3.238 20 30 CGEDMO CC(C)[N@@H+]1CC(N=Nc2cccc3cnccc32)[C@@H](C)C1 ZINC000754258411 626565381 /nfs/dbraw/zinc/56/53/81/626565381.db2.gz IFKUBLJKWALTPK-ZDUSSCGKSA-N 1 1 282.391 3.363 20 30 CGEDMO Cc1c([C@@H](C)[NH2+]CC2(C#N)CC2)cnn1-c1ccccc1 ZINC000754688791 626582161 /nfs/dbraw/zinc/58/21/61/626582161.db2.gz LNECAUNKZIQUFM-CYBMUJFWSA-N 1 1 280.375 3.135 20 30 CGEDMO CCOc1ccc(C[N@H+](CCC#N)CC(C)C)cc1 ZINC000755670090 626635670 /nfs/dbraw/zinc/63/56/70/626635670.db2.gz LUJLMAIRMXHNJY-UHFFFAOYSA-N 1 1 260.381 3.457 20 30 CGEDMO CCOc1ccc(C[N@@H+](CCC#N)CC(C)C)cc1 ZINC000755670090 626635672 /nfs/dbraw/zinc/63/56/72/626635672.db2.gz LUJLMAIRMXHNJY-UHFFFAOYSA-N 1 1 260.381 3.457 20 30 CGEDMO C[C@@H]1C[N@H+](C2CC2)CC1N=Nc1ccc(OC(F)F)cc1 ZINC000755890039 626656091 /nfs/dbraw/zinc/65/60/91/626656091.db2.gz NQORZDAXPRYHNY-SNVBAGLBSA-N 1 1 295.333 3.170 20 30 CGEDMO C#CC[C@@H]([NH2+][C@@H](CC)c1ccn(C)n1)c1ccccc1 ZINC000756774432 626731572 /nfs/dbraw/zinc/73/15/72/626731572.db2.gz CVAHFRIHSRRMLN-JKSUJKDBSA-N 1 1 267.376 3.225 20 30 CGEDMO C#CC[C@@H](Nc1cc[nH+]cc1Cl)c1ccccc1 ZINC000756957473 626743605 /nfs/dbraw/zinc/74/36/05/626743605.db2.gz RVCHBZJIZDAFDM-CQSZACIVSA-N 1 1 256.736 3.333 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)[C@@H](O)c1ccccc1 ZINC000839607445 626765308 /nfs/dbraw/zinc/76/53/08/626765308.db2.gz XZAXARPVHPQYPK-TZMCWYRMSA-N 1 1 253.773 3.183 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)[C@@H](O)c1ccccc1 ZINC000839607445 626765309 /nfs/dbraw/zinc/76/53/09/626765309.db2.gz XZAXARPVHPQYPK-TZMCWYRMSA-N 1 1 253.773 3.183 20 30 CGEDMO C[N@H+]1CCCC(N=Nc2ccccc2Br)CC1 ZINC000758097717 626826905 /nfs/dbraw/zinc/82/69/05/626826905.db2.gz HIYQEZHNIKLFAR-UHFFFAOYSA-N 1 1 296.212 3.333 20 30 CGEDMO CCCCCCCCC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000758200008 626832988 /nfs/dbraw/zinc/83/29/88/626832988.db2.gz DXOVFSRVZXUKBK-GDBMZVCRSA-N 1 1 280.456 3.336 20 30 CGEDMO C#CCC[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000760859643 626997218 /nfs/dbraw/zinc/99/72/18/626997218.db2.gz IWHMYMHEJDDUKN-UHFFFAOYSA-N 1 1 251.329 3.328 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000763880518 627183056 /nfs/dbraw/zinc/18/30/56/627183056.db2.gz WTLUMDYCHAMAGJ-QAPCUYQASA-N 1 1 273.486 3.437 20 30 CGEDMO C#Cc1cccc(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)c1 ZINC000764052227 627192267 /nfs/dbraw/zinc/19/22/67/627192267.db2.gz KDSKTXWSLFSFSQ-GOSISDBHSA-N 1 1 296.414 3.404 20 30 CGEDMO C=CCCC[C@H](C)OC(=O)[C@H]1CCCC[N@H+]1CC ZINC000765480309 627252815 /nfs/dbraw/zinc/25/28/15/627252815.db2.gz KFOWYWNSBZNGIB-UONOGXRCSA-N 1 1 253.386 3.149 20 30 CGEDMO C=CCCC[C@H](C)OC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000765480309 627252817 /nfs/dbraw/zinc/25/28/17/627252817.db2.gz KFOWYWNSBZNGIB-UONOGXRCSA-N 1 1 253.386 3.149 20 30 CGEDMO c1sc(N=NC2CC[N@H+]3CCC[C@H]23)nc1-c1ccccc1 ZINC000765569391 627259793 /nfs/dbraw/zinc/25/97/93/627259793.db2.gz KGLZUUXTYCNRGF-OAHLLOKOSA-N 1 1 298.415 3.446 20 30 CGEDMO C=C(Br)C[N@@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000766212644 627303494 /nfs/dbraw/zinc/30/34/94/627303494.db2.gz SUTBVTSWCJMQEN-NSHDSACASA-N 1 1 284.197 3.164 20 30 CGEDMO C=C(Br)C[N@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000766212644 627303499 /nfs/dbraw/zinc/30/34/99/627303499.db2.gz SUTBVTSWCJMQEN-NSHDSACASA-N 1 1 284.197 3.164 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000766904270 627369407 /nfs/dbraw/zinc/36/94/07/627369407.db2.gz YBBXZTURUJEOGT-KRWDZBQOSA-N 1 1 256.393 3.303 20 30 CGEDMO C#CCCC[N@@H+]1Cc2ccccc2N(C)C[C@@H]1CC ZINC000766905948 627369464 /nfs/dbraw/zinc/36/94/64/627369464.db2.gz NWLHHHDGCPCKFR-INIZCTEOSA-N 1 1 256.393 3.130 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)OCC[C@H]1CCCC[N@H+]1C ZINC000767697787 627430447 /nfs/dbraw/zinc/43/04/47/627430447.db2.gz WMPQNZWVBIDNIS-UONOGXRCSA-N 1 1 253.386 3.006 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)OCC[C@@H]1CCCC[N@H+]1C ZINC000767697779 627430622 /nfs/dbraw/zinc/43/06/22/627430622.db2.gz WMPQNZWVBIDNIS-KBPBESRZSA-N 1 1 253.386 3.006 20 30 CGEDMO FC(F)CNN=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000768361134 627475651 /nfs/dbraw/zinc/47/56/51/627475651.db2.gz CKAOGKFCKVVJLU-GASCZTMLSA-N 1 1 293.361 3.024 20 30 CGEDMO C[C@@H](CC#N)NN=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000768366834 627476483 /nfs/dbraw/zinc/47/64/83/627476483.db2.gz JURAMKPVGJQAHV-JCGIZDLHSA-N 1 1 296.418 3.061 20 30 CGEDMO C=CC[N@@H+](Cc1c[nH]nc1-c1ccc(C)o1)C(C)C ZINC000768547428 627485878 /nfs/dbraw/zinc/48/58/78/627485878.db2.gz MDAIFMPQPPGMOE-UHFFFAOYSA-N 1 1 259.353 3.375 20 30 CGEDMO CC(C)[N@H+](CCC#N)Cc1ccc(N(C)C)c(F)c1 ZINC000768762651 627497404 /nfs/dbraw/zinc/49/74/04/627497404.db2.gz FBDAQVFFKQVRCT-UHFFFAOYSA-N 1 1 263.360 3.016 20 30 CGEDMO CC(C)[N@@H+](CCC#N)Cc1ccc(N(C)C)c(F)c1 ZINC000768762651 627497407 /nfs/dbraw/zinc/49/74/07/627497407.db2.gz FBDAQVFFKQVRCT-UHFFFAOYSA-N 1 1 263.360 3.016 20 30 CGEDMO C#CC[N@H+](Cc1c(C)nn(CC)c1C)C1CCCCC1 ZINC000769146308 627526249 /nfs/dbraw/zinc/52/62/49/627526249.db2.gz SGGAFWDJIAHDTM-UHFFFAOYSA-N 1 1 273.424 3.288 20 30 CGEDMO C#CC[N@H+](Cc1nc2ccccc2[nH]1)C1CCCCC1 ZINC000769146391 627526257 /nfs/dbraw/zinc/52/62/57/627526257.db2.gz VCKMZTZROXVESA-UHFFFAOYSA-N 1 1 267.376 3.331 20 30 CGEDMO C#CC[N@@H+](Cc1nc2ccccc2[nH]1)C1CCCCC1 ZINC000769146391 627526258 /nfs/dbraw/zinc/52/62/58/627526258.db2.gz VCKMZTZROXVESA-UHFFFAOYSA-N 1 1 267.376 3.331 20 30 CGEDMO Cc1cccc(F)c1N=NC1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000769840062 627583249 /nfs/dbraw/zinc/58/32/49/627583249.db2.gz HHMWOESGGPJMFX-LLVKDONJSA-N 1 1 261.344 3.159 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1cc(Cl)cc2cccnc21 ZINC000769963037 627593219 /nfs/dbraw/zinc/59/32/19/627593219.db2.gz PLZBXKZQKZHFMT-NSHDSACASA-N 1 1 258.752 3.342 20 30 CGEDMO C#C[C@H](C)[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000769975383 627593568 /nfs/dbraw/zinc/59/35/68/627593568.db2.gz FDDXTNWOJHWYBC-LBPRGKRZSA-N 1 1 265.278 3.010 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000769975383 627593572 /nfs/dbraw/zinc/59/35/72/627593572.db2.gz FDDXTNWOJHWYBC-LBPRGKRZSA-N 1 1 265.278 3.010 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000769975378 627593771 /nfs/dbraw/zinc/59/37/71/627593771.db2.gz FDDXTNWOJHWYBC-GFCCVEGCSA-N 1 1 265.278 3.010 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000769975378 627593773 /nfs/dbraw/zinc/59/37/73/627593773.db2.gz FDDXTNWOJHWYBC-GFCCVEGCSA-N 1 1 265.278 3.010 20 30 CGEDMO C=CC[N@H+](Cc1nn(CC)c2ccccc12)C(C)C ZINC000770628110 627632441 /nfs/dbraw/zinc/63/24/41/627632441.db2.gz LJMPHUMSNWBAHR-UHFFFAOYSA-N 1 1 257.381 3.453 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000775182598 628069810 /nfs/dbraw/zinc/06/98/10/628069810.db2.gz DYJGDCCHBAWJEG-LBPRGKRZSA-N 1 1 284.315 3.308 20 30 CGEDMO C=C[C@H](CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C)c1ccccc1 ZINC000874834870 634629670 /nfs/dbraw/zinc/62/96/70/634629670.db2.gz VAJPTKYTUVBNNK-NXHRZFHOSA-N 1 1 298.430 3.041 20 30 CGEDMO C=CC[N@@H+](C)CCOc1ccccc1C(=O)OC(C)(C)C ZINC000778170585 628331161 /nfs/dbraw/zinc/33/11/61/628331161.db2.gz TVDGKZFEXBZIPY-UHFFFAOYSA-N 1 1 291.391 3.139 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000778981163 628381025 /nfs/dbraw/zinc/38/10/25/628381025.db2.gz MQVYDDVNTIVBBU-KGLIPLIRSA-N 1 1 282.428 3.188 20 30 CGEDMO CSc1ccc2c(c1)CCCC2=NNc1cc[nH+]cc1 ZINC000779809364 628433373 /nfs/dbraw/zinc/43/33/73/628433373.db2.gz XLRCLAPHWFQCAF-UHFFFAOYSA-N 1 1 283.400 3.378 20 30 CGEDMO CCCOc1c(C=NNc2cc[nH+]cc2)cccc1OCC ZINC000779809844 628433936 /nfs/dbraw/zinc/43/39/36/628433936.db2.gz VXIZCLPERPLCFE-UHFFFAOYSA-N 1 1 299.374 3.137 20 30 CGEDMO Clc1cccc2c1SCCC2=NNc1cc[nH+]cc1 ZINC000779810143 628434034 /nfs/dbraw/zinc/43/40/34/628434034.db2.gz WSVPMXPOZRGVDC-UHFFFAOYSA-N 1 1 289.791 3.469 20 30 CGEDMO C(=NNc1cc[nH+]cc1)c1cccc(-c2cccnc2)c1 ZINC000779809616 628434167 /nfs/dbraw/zinc/43/41/67/628434167.db2.gz ZUVFGLAQVCEHAG-UHFFFAOYSA-N 1 1 274.327 3.012 20 30 CGEDMO c1ccc2c(c1)-c1ccccc1C2=NNc1cc[nH+]cc1 ZINC000779811396 628434577 /nfs/dbraw/zinc/43/45/77/628434577.db2.gz GPEMJDHPTLZPIT-UHFFFAOYSA-N 1 1 271.323 3.348 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@@H]2CCc3c2cc(F)cc3F)nc1 ZINC000780329793 628482485 /nfs/dbraw/zinc/48/24/85/628482485.db2.gz NUTJREHIXNWRSD-MRXNPFEDSA-N 1 1 285.297 3.009 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC1N=Nc1ccnc(F)c1 ZINC000781129191 628539349 /nfs/dbraw/zinc/53/93/49/628539349.db2.gz DBPOOQWTAHHQQJ-ZDUSSCGKSA-N 1 1 298.365 3.141 20 30 CGEDMO CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CCCC#N ZINC000782096779 628615183 /nfs/dbraw/zinc/61/51/83/628615183.db2.gz VGPPTTVMGJPQTQ-CQSZACIVSA-N 1 1 295.427 3.012 20 30 CGEDMO CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CCCC#N ZINC000782096779 628615185 /nfs/dbraw/zinc/61/51/85/628615185.db2.gz VGPPTTVMGJPQTQ-CQSZACIVSA-N 1 1 295.427 3.012 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(F)cc1N(C)C ZINC000783300816 628701368 /nfs/dbraw/zinc/70/13/68/628701368.db2.gz QSWRKRCTXPKSIO-LBPRGKRZSA-N 1 1 298.365 3.009 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000784484330 628815536 /nfs/dbraw/zinc/81/55/36/628815536.db2.gz YDFMUWWBCALLDA-ZFWWWQNUSA-N 1 1 299.336 3.432 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1C[C@H](O)c1cccc(Cl)c1 ZINC000785996537 628906742 /nfs/dbraw/zinc/90/67/42/628906742.db2.gz DGEPXSQXLINAGU-GJZGRUSLSA-N 1 1 265.784 3.414 20 30 CGEDMO C=CCC[N@@H+](C)Cc1cc(C)cc(Br)c1O ZINC000786580025 628949358 /nfs/dbraw/zinc/94/93/58/628949358.db2.gz WYZZNTKZYAARKL-UHFFFAOYSA-N 1 1 284.197 3.471 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc(C)cc(Br)c1O ZINC000786580025 628949359 /nfs/dbraw/zinc/94/93/59/628949359.db2.gz WYZZNTKZYAARKL-UHFFFAOYSA-N 1 1 284.197 3.471 20 30 CGEDMO C#CCCCNc1c(C)c[nH+]c2c(OC)cccc12 ZINC000786787351 628963724 /nfs/dbraw/zinc/96/37/24/628963724.db2.gz CJTNQOVBEDROOJ-UHFFFAOYSA-N 1 1 254.333 3.377 20 30 CGEDMO C#CC[N@H+](C[C@@H]1CC[C@@H](C)O1)[C@@H]1CCc2ccccc21 ZINC000789308720 629123031 /nfs/dbraw/zinc/12/30/31/629123031.db2.gz AZCAEARBAGOVHQ-UWWQBHOKSA-N 1 1 269.388 3.177 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)C[C@@H]2CCc3ccccc32)n1 ZINC000789325306 629123910 /nfs/dbraw/zinc/12/39/10/629123910.db2.gz BWQAAXFOVUXLCI-KRWDZBQOSA-N 1 1 293.414 3.068 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)C[C@@H]2C(C)=CCC[C@@H]2C)n1 ZINC000789761833 629165866 /nfs/dbraw/zinc/16/58/66/629165866.db2.gz LAYCLUXJMCPLGX-FUHWJXTLSA-N 1 1 285.435 3.331 20 30 CGEDMO COc1ccc(N[NH+]=Cc2ccc(N(C)C(C)C)nc2)cc1 ZINC000790172915 629188469 /nfs/dbraw/zinc/18/84/69/629188469.db2.gz YYNWEIRWBUMAMT-UHFFFAOYSA-N 1 1 298.390 3.381 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000790364069 629208115 /nfs/dbraw/zinc/20/81/15/629208115.db2.gz WWOVXLBVWWHCKL-JYJNAYRXSA-N 1 1 269.429 3.225 20 30 CGEDMO C#CCCC[N@H+]1CCc2cc(Br)ccc2C1 ZINC000792309478 629355986 /nfs/dbraw/zinc/35/59/86/629355986.db2.gz ZOQXWACGKCFTJQ-UHFFFAOYSA-N 1 1 278.193 3.221 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(Cl)c(F)c2)C1 ZINC000862442755 629375309 /nfs/dbraw/zinc/37/53/09/629375309.db2.gz HJCIPOYYLDVMPK-LLVKDONJSA-N 1 1 251.732 3.324 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccccc2Br)C1 ZINC000862442944 629375365 /nfs/dbraw/zinc/37/53/65/629375365.db2.gz ITZQSUDCJCNKHX-LBPRGKRZSA-N 1 1 278.193 3.294 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(Br)s2)C1 ZINC000862443166 629375467 /nfs/dbraw/zinc/37/54/67/629375467.db2.gz LHWXTNMBMCFSOJ-SNVBAGLBSA-N 1 1 284.222 3.356 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(C)cc2)C1 ZINC000862444128 629376435 /nfs/dbraw/zinc/37/64/35/629376435.db2.gz YEKWDXSPNNGRDS-OAHLLOKOSA-N 1 1 279.387 3.230 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000862444107 629376629 /nfs/dbraw/zinc/37/66/29/629376629.db2.gz XTZIWVVXAMTZBR-GFCCVEGCSA-N 1 1 265.303 3.133 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2nc3ccccc3n2CCC)C1 ZINC000862444091 629376997 /nfs/dbraw/zinc/37/69/97/629376997.db2.gz XOCVUYSYLXPESP-HNNXBMFYSA-N 1 1 281.403 3.292 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2C)C1 ZINC000862444105 629377014 /nfs/dbraw/zinc/37/70/14/629377014.db2.gz XTUHXHSHQPPSAE-INIZCTEOSA-N 1 1 279.387 3.026 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccsc2Br)C1 ZINC000862446541 629379281 /nfs/dbraw/zinc/37/92/81/629379281.db2.gz AEJPJOSEFWSNRV-SNVBAGLBSA-N 1 1 284.222 3.356 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000862445523 629379795 /nfs/dbraw/zinc/37/97/95/629379795.db2.gz VZYYANBLHFUQBR-CQSZACIVSA-N 1 1 250.345 3.080 20 30 CGEDMO C#CC[C@H]1CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000862446647 629380154 /nfs/dbraw/zinc/38/01/54/629380154.db2.gz CCIWZNHJUSWSIJ-UABRLCRWSA-N 1 1 268.404 3.111 20 30 CGEDMO CC[C@H](C)CON=C1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000793159916 629418730 /nfs/dbraw/zinc/41/87/30/629418730.db2.gz RRSUIINVCAKIHM-LSDHHAIUSA-N 1 1 289.423 3.342 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)cc1 ZINC000793230252 629432564 /nfs/dbraw/zinc/43/25/64/629432564.db2.gz FNWRAJWFOKJAQV-SWLSCSKDSA-N 1 1 297.320 3.471 20 30 CGEDMO C#CCC[N@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000794803813 629579379 /nfs/dbraw/zinc/57/93/79/629579379.db2.gz QEWINAIKUSBONR-SWLSCSKDSA-N 1 1 297.320 3.491 20 30 CGEDMO C#CCC[N@@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C ZINC000794803813 629579383 /nfs/dbraw/zinc/57/93/83/629579383.db2.gz QEWINAIKUSBONR-SWLSCSKDSA-N 1 1 297.320 3.491 20 30 CGEDMO N#Cc1cc(F)ccc1C[NH+]1CCC(C2CC2)CC1 ZINC000794894477 629595755 /nfs/dbraw/zinc/59/57/55/629595755.db2.gz YHPSFPUAIKWQEP-UHFFFAOYSA-N 1 1 258.340 3.319 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC1N=Nc1cccc(F)n1 ZINC000795007498 629621497 /nfs/dbraw/zinc/62/14/97/629621497.db2.gz IAOZWMYOCMPFIG-ZDUSSCGKSA-N 1 1 298.365 3.141 20 30 CGEDMO C#CCOc1ccc(C[NH2+][C@H](CC)c2nccs2)cc1 ZINC000119831772 629750355 /nfs/dbraw/zinc/75/03/55/629750355.db2.gz UCBVURAAANQGNI-OAHLLOKOSA-N 1 1 286.400 3.396 20 30 CGEDMO C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@@H]1CCC(C)(C)C1 ZINC000796530129 629795875 /nfs/dbraw/zinc/79/58/75/629795875.db2.gz GBMJYZGUTKVVRR-HZPDHXFCSA-N 1 1 272.392 3.102 20 30 CGEDMO C#CC[N@H+](CC#Cc1ccccc1)Cc1ccccc1 ZINC000796639958 629809315 /nfs/dbraw/zinc/80/93/15/629809315.db2.gz QPTUIUMDCGZUPC-UHFFFAOYSA-N 1 1 259.352 3.174 20 30 CGEDMO C#CC[N@@H+](CC#Cc1ccccc1)Cc1ccccc1 ZINC000796639958 629809317 /nfs/dbraw/zinc/80/93/17/629809317.db2.gz QPTUIUMDCGZUPC-UHFFFAOYSA-N 1 1 259.352 3.174 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC000796682341 629814582 /nfs/dbraw/zinc/81/45/82/629814582.db2.gz JATDGGIDIWMSKX-HNNXBMFYSA-N 1 1 280.412 3.086 20 30 CGEDMO CC[C@H]([NH2+]CCCCC#N)c1ccc(F)cc1O ZINC000796753444 629826362 /nfs/dbraw/zinc/82/63/62/629826362.db2.gz MSQBURIGPKQGPM-ZDUSSCGKSA-N 1 1 250.317 3.266 20 30 CGEDMO C=CCC(C)(C)C(=O)OC[C@@H]1CCC[N@H+]1Cc1ccco1 ZINC000796996312 629869858 /nfs/dbraw/zinc/86/98/58/629869858.db2.gz PWLYHZDDOCYUTD-AWEZNQCLSA-N 1 1 291.391 3.390 20 30 CGEDMO C#CCCOc1ccc(C[N@H+](C)CCCSC)cc1 ZINC000798963870 630130579 /nfs/dbraw/zinc/13/05/79/630130579.db2.gz KNYIUFYGXCUEGM-UHFFFAOYSA-N 1 1 277.433 3.274 20 30 CGEDMO C=CC[C@@H]1[N@H+](C[C@@H](O)c2ccc(F)cn2)CCCC1(C)C ZINC000799324613 630167187 /nfs/dbraw/zinc/16/71/87/630167187.db2.gz VKWMETXEAZTWJR-CVEARBPZSA-N 1 1 292.398 3.321 20 30 CGEDMO C#CCCCC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000799631205 630204207 /nfs/dbraw/zinc/20/42/07/630204207.db2.gz HITKKMPZKOQHFF-GOSISDBHSA-N 1 1 299.414 3.388 20 30 CGEDMO CCc1oc2ccccc2c1C[N@@H+](C)CCO[C@H](C)C#N ZINC000801910720 630364428 /nfs/dbraw/zinc/36/44/28/630364428.db2.gz WEIGJBGFWMBBKC-CYBMUJFWSA-N 1 1 286.375 3.356 20 30 CGEDMO Cc1ccc([C@H](C)[N@H+](C)CCO[C@H](C)C#N)c(C)c1 ZINC000801912937 630364715 /nfs/dbraw/zinc/36/47/15/630364715.db2.gz JHLWLTWMITWSOH-CABCVRRESA-N 1 1 260.381 3.225 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](Cc1ccco1)Cc1ccccc1 ZINC000801912406 630365149 /nfs/dbraw/zinc/36/51/49/630365149.db2.gz PWHOYESBBJYWNU-OAHLLOKOSA-N 1 1 284.359 3.210 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000801921390 630366472 /nfs/dbraw/zinc/36/64/72/630366472.db2.gz BLLYVFGLOQEOIM-FMKPAKJESA-N 1 1 290.432 3.094 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000801924376 630368193 /nfs/dbraw/zinc/36/81/93/630368193.db2.gz OHXSPIWBIGTMTJ-BBRMVZONSA-N 1 1 276.355 3.281 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCCC[C@@H]1CCc1ccccc1 ZINC000801935521 630369748 /nfs/dbraw/zinc/36/97/48/630369748.db2.gz GMQFTIQJKLEZLB-SJLPKXTDSA-N 1 1 286.419 3.402 20 30 CGEDMO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CCO[C@H](C)C#N ZINC000801935757 630370221 /nfs/dbraw/zinc/37/02/21/630370221.db2.gz DFWMVMQQJXQZHZ-YPMHNXCESA-N 1 1 295.452 3.496 20 30 CGEDMO CCCC1CCC([N@@H+](C)CCO[C@H](C)C#N)CC1 ZINC000801948882 630372804 /nfs/dbraw/zinc/37/28/04/630372804.db2.gz HYDBFWVQKAULFH-WLYUNCDWSA-N 1 1 252.402 3.206 20 30 CGEDMO C=CCCCCC[N@H+](C)CN1C(=O)[C@H](C2CC2)[C@@H]1C1CC1 ZINC000840008798 630488786 /nfs/dbraw/zinc/48/87/86/630488786.db2.gz WZYBPNZAOZRPTG-SJORKVTESA-N 1 1 290.451 3.269 20 30 CGEDMO C=CCCCCCC[NH2+][C@@H]1CCN(CC)C[C@@H]1C ZINC000806167640 630551492 /nfs/dbraw/zinc/55/14/92/630551492.db2.gz CNPWOEGLMKZLMG-JKSUJKDBSA-N 1 1 252.446 3.443 20 30 CGEDMO CCCC[C@@H](C)[N@@H+](CCCC)Cn1cccc(C#N)c1=O ZINC000840092961 630589630 /nfs/dbraw/zinc/58/96/30/630589630.db2.gz ZZPYLVQEZIDICE-OAHLLOKOSA-N 1 1 289.423 3.358 20 30 CGEDMO CCCCCCCC[C@H](C)Cc1nc(C[NH3+])no1 ZINC000842651375 635429421 /nfs/dbraw/zinc/42/94/21/635429421.db2.gz ZKGNAAUUYTXTKC-LBPRGKRZSA-N 1 1 253.390 3.458 20 30 CGEDMO CCCCCCCC[C@@H](C)Cc1nc(C[NH3+])no1 ZINC000842651374 635430188 /nfs/dbraw/zinc/43/01/88/635430188.db2.gz ZKGNAAUUYTXTKC-GFCCVEGCSA-N 1 1 253.390 3.458 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)[C@@H](C)Cc2ccc(O)cc2)cc1 ZINC000809574568 630751650 /nfs/dbraw/zinc/75/16/50/630751650.db2.gz QCWYTQPOBCKUQS-HNNXBMFYSA-N 1 1 279.383 3.437 20 30 CGEDMO C#Cc1ccc(CNC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000809606202 630759474 /nfs/dbraw/zinc/75/94/74/630759474.db2.gz VUJHSULQOHCGFH-JKSUJKDBSA-N 1 1 270.420 3.020 20 30 CGEDMO C#Cc1ccc(CNC[C@@H](C)[N@H+]2CCCC[C@@H]2C)cc1 ZINC000809606202 630759476 /nfs/dbraw/zinc/75/94/76/630759476.db2.gz VUJHSULQOHCGFH-JKSUJKDBSA-N 1 1 270.420 3.020 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000878303621 635451680 /nfs/dbraw/zinc/45/16/80/635451680.db2.gz APXLHNPLJBFIED-OWCLPIDISA-N 1 1 292.467 3.453 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)cc1 ZINC000809640176 630772123 /nfs/dbraw/zinc/77/21/23/630772123.db2.gz BTQDLKCUSFKXOZ-SFHVURJKSA-N 1 1 299.414 3.222 20 30 CGEDMO C#C[C@@H](CC)[NH2+]Cc1cnn(Cc2ccccc2)c1Cl ZINC000809685558 630780981 /nfs/dbraw/zinc/78/09/81/630780981.db2.gz AHUYLQGVADAFIG-HNNXBMFYSA-N 1 1 287.794 3.086 20 30 CGEDMO C#C[C@@H](CC)N[C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000809686363 630783136 /nfs/dbraw/zinc/78/31/36/630783136.db2.gz OAYBAZBVXMPSSR-DLBZAZTESA-N 1 1 270.420 3.041 20 30 CGEDMO C#C[C@@H](CC)N[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000809686363 630783139 /nfs/dbraw/zinc/78/31/39/630783139.db2.gz OAYBAZBVXMPSSR-DLBZAZTESA-N 1 1 270.420 3.041 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2)cc1 ZINC000809729557 630792952 /nfs/dbraw/zinc/79/29/52/630792952.db2.gz VSJCJVYDZBTLIB-LJQANCHMSA-N 1 1 292.382 3.431 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1 ZINC000809758296 630800674 /nfs/dbraw/zinc/80/06/74/630800674.db2.gz ISQWIMHUOFKHNV-OALUTQOASA-N 1 1 283.415 3.307 20 30 CGEDMO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc2c(c1)CCC2 ZINC000810134089 630841267 /nfs/dbraw/zinc/84/12/67/630841267.db2.gz PSXZYLQXRWJIED-NSHDSACASA-N 1 1 283.400 3.354 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)C[C@H]2CC(C)=C[C@H](C)C2)n1 ZINC000811497871 631076054 /nfs/dbraw/zinc/07/60/54/631076054.db2.gz WWTMENUOJQEDRM-DOTOQJQBSA-N 1 1 285.435 3.331 20 30 CGEDMO C#C[C@H](CC)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811505102 631077724 /nfs/dbraw/zinc/07/77/24/631077724.db2.gz DMQFTAYVCRFALA-SNVBAGLBSA-N 1 1 287.146 3.403 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2C2CC2)cc1 ZINC000811513895 631082361 /nfs/dbraw/zinc/08/23/61/631082361.db2.gz UZUXABWWJCVDGV-KRWDZBQOSA-N 1 1 269.388 3.319 20 30 CGEDMO C=CCCCCCCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000811590652 631089226 /nfs/dbraw/zinc/08/92/26/631089226.db2.gz CDVYFOPBARHPOI-OAHLLOKOSA-N 1 1 266.429 3.114 20 30 CGEDMO FC(F)(F)c1cscc1C=NNc1cc[nH+]cc1 ZINC000811646787 631096847 /nfs/dbraw/zinc/09/68/47/631096847.db2.gz LUNCPPCRCRADSI-UHFFFAOYSA-N 1 1 271.267 3.030 20 30 CGEDMO C[C@@H]1C[C@@H](Nc2nc3ccccc3cc2C#N)C[N@H+]1C1CC1 ZINC000811811757 631122328 /nfs/dbraw/zinc/12/23/28/631122328.db2.gz GNQNMZWZYMCWHA-IUODEOHRSA-N 1 1 292.386 3.144 20 30 CGEDMO C=CC[C@H](C)[N@@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC000878709810 635611883 /nfs/dbraw/zinc/61/18/83/635611883.db2.gz UNFQXCKASSKCMT-FZMZJTMJSA-N 1 1 298.224 3.379 20 30 CGEDMO C#CCO[NH+]=Cc1cc2ccccc2nc1N1CCCCC1 ZINC000812233968 631224757 /nfs/dbraw/zinc/22/47/57/631224757.db2.gz KSRKJVVMRNZMGI-UHFFFAOYSA-N 1 1 293.370 3.209 20 30 CGEDMO CC[N@@H+](CC#Cc1ccccc1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812847902 631325177 /nfs/dbraw/zinc/32/51/77/631325177.db2.gz HHFSRCXDPQUFJK-PXNSSMCTSA-N 1 1 293.410 3.482 20 30 CGEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000876513851 634850120 /nfs/dbraw/zinc/85/01/20/634850120.db2.gz QKELQWASVDSIKA-GOSISDBHSA-N 1 1 294.402 3.289 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000814169222 631535636 /nfs/dbraw/zinc/53/56/36/631535636.db2.gz FIICBQQSHVOPJE-JKSUJKDBSA-N 1 1 291.341 3.176 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@H](CSC)C2)cc1 ZINC000814178815 631540314 /nfs/dbraw/zinc/54/03/14/631540314.db2.gz DTSUTUJGSNCBNY-INIZCTEOSA-N 1 1 289.444 3.274 20 30 CGEDMO C[N@@H+](CCCCNc1nc2ccccc2cc1C#N)C1CC1 ZINC000840316227 631563142 /nfs/dbraw/zinc/56/31/42/631563142.db2.gz MGYKVQVNGXAZMK-UHFFFAOYSA-N 1 1 294.402 3.393 20 30 CGEDMO C[C@H]1C[C@H](c2ccccc2F)[N@@H+](CCOCCC#N)C1 ZINC000815054505 631708609 /nfs/dbraw/zinc/70/86/09/631708609.db2.gz LEOAYCUBCKMAON-XJKSGUPXSA-N 1 1 276.355 3.139 20 30 CGEDMO C[N@H+](C[C@H](O)c1cccc2ccccc21)CC(C)(C)C#N ZINC000815124057 631722921 /nfs/dbraw/zinc/72/29/21/631722921.db2.gz NHHZTHITBKFWRM-KRWDZBQOSA-N 1 1 282.387 3.355 20 30 CGEDMO C[N@@H+](C[C@H](O)c1cccc2ccccc21)CC(C)(C)C#N ZINC000815124057 631722925 /nfs/dbraw/zinc/72/29/25/631722925.db2.gz NHHZTHITBKFWRM-KRWDZBQOSA-N 1 1 282.387 3.355 20 30 CGEDMO C#CCOc1ccccc1C[NH2+]Cc1cc(OC)ccc1F ZINC000815126065 631723619 /nfs/dbraw/zinc/72/36/19/631723619.db2.gz FUWYNSQKEUFBLG-UHFFFAOYSA-N 1 1 299.345 3.136 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@H+](C)CC(C)(C)C#N)cc1 ZINC000816632966 632028317 /nfs/dbraw/zinc/02/83/17/632028317.db2.gz HNCCMEXQPLGIQI-UHFFFAOYSA-N 1 1 284.407 3.018 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@@H+](C)CC(C)(C)C#N)cc1 ZINC000816632966 632028322 /nfs/dbraw/zinc/02/83/22/632028322.db2.gz HNCCMEXQPLGIQI-UHFFFAOYSA-N 1 1 284.407 3.018 20 30 CGEDMO CC[N@@H+](c1ccc(Nc2cncc(C#N)n2)cc1)C(C)C ZINC000817120410 632084804 /nfs/dbraw/zinc/08/48/04/632084804.db2.gz MMIUBISLDWBBOV-UHFFFAOYSA-N 1 1 281.363 3.327 20 30 CGEDMO CC[N@H+](c1ccc(Nc2cncc(C#N)n2)cc1)C(C)C ZINC000817120410 632084808 /nfs/dbraw/zinc/08/48/08/632084808.db2.gz MMIUBISLDWBBOV-UHFFFAOYSA-N 1 1 281.363 3.327 20 30 CGEDMO Nc1ccc2c(c1)C(=[NH+]OC/C=C/Cl)CCCC2 ZINC000817328936 632122159 /nfs/dbraw/zinc/12/21/59/632122159.db2.gz PLZGNRNPWMRHGC-VZSZXPAISA-N 1 1 264.756 3.468 20 30 CGEDMO C=C(Br)C[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000105453048 635832311 /nfs/dbraw/zinc/83/23/11/635832311.db2.gz MBXZJFJLHGDAKU-UHFFFAOYSA-N 1 1 289.242 3.439 20 30 CGEDMO C=CC[C@@H]1[N@H+](C[C@@H]2CN(C3CC3)C(=O)O2)CCCC1(C)C ZINC000844324079 635869685 /nfs/dbraw/zinc/86/96/85/635869685.db2.gz LAWAYJVQZVDXBN-CABCVRRESA-N 1 1 292.423 3.036 20 30 CGEDMO COC[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1ccccc1 ZINC000866295921 633068438 /nfs/dbraw/zinc/06/84/38/633068438.db2.gz DYZMXEURUDAWDF-SUMWQHHRSA-N 1 1 296.370 3.302 20 30 CGEDMO CC(C)c1ccoc1-c1noc([C@@H]([NH3+])CCCC#N)n1 ZINC000823243961 633080973 /nfs/dbraw/zinc/08/09/73/633080973.db2.gz RKFJDUJZHINROX-NSHDSACASA-N 1 1 274.324 3.147 20 30 CGEDMO C#CC[N@@H+](CC)Cc1cnc(-c2ccccc2F)s1 ZINC000823419071 633102347 /nfs/dbraw/zinc/10/23/47/633102347.db2.gz QHYJFALVANIUPL-UHFFFAOYSA-N 1 1 274.364 3.404 20 30 CGEDMO C#CC[N@H+](CC)Cc1cnc(-c2ccccc2F)s1 ZINC000823419071 633102352 /nfs/dbraw/zinc/10/23/52/633102352.db2.gz QHYJFALVANIUPL-UHFFFAOYSA-N 1 1 274.364 3.404 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)c1cccc(F)c1 ZINC000823618684 633127908 /nfs/dbraw/zinc/12/79/08/633127908.db2.gz UJCDBPYPBROYDX-SCLBCKFNSA-N 1 1 298.361 3.424 20 30 CGEDMO C[C@H]([NH2+]Cc1nn(C)cc1C(F)F)c1cccc(C#N)c1 ZINC000866565126 633196813 /nfs/dbraw/zinc/19/68/13/633196813.db2.gz IHORFXQXVQBMRQ-JTQLQIEISA-N 1 1 290.317 3.080 20 30 CGEDMO C#CCCOc1ccc(C[NH2+][C@@H]2C[C@H](C)n3ccnc32)cc1 ZINC000825017821 633318664 /nfs/dbraw/zinc/31/86/64/633318664.db2.gz ZAURYALZZCVKNO-WMLDXEAASA-N 1 1 295.386 3.081 20 30 CGEDMO C=C(CC)C[NH2+]Cc1nc2ccccn2c1Br ZINC000825220979 633336950 /nfs/dbraw/zinc/33/69/50/633336950.db2.gz BTEVXCMKBSYUGS-UHFFFAOYSA-N 1 1 294.196 3.153 20 30 CGEDMO CC#CCCCC(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000826661453 633424268 /nfs/dbraw/zinc/42/42/68/633424268.db2.gz UHGGYHXXVZTOCO-KRWDZBQOSA-N 1 1 290.451 3.093 20 30 CGEDMO Cc1cc(C)c(COC(=O)Cc2ccc(C#N)cc2)c(C)[nH+]1 ZINC000869375482 633436388 /nfs/dbraw/zinc/43/63/88/633436388.db2.gz XFKCQFIVDWRTBO-UHFFFAOYSA-N 1 1 294.354 3.164 20 30 CGEDMO Cc1cc(C)c(COC(=O)c2cscc2C#N)c(C)[nH+]1 ZINC000869524747 633461475 /nfs/dbraw/zinc/46/14/75/633461475.db2.gz DNJSMLMLQWVOOD-UHFFFAOYSA-N 1 1 286.356 3.297 20 30 CGEDMO C#CC[N@H+](CCc1ccncc1C)Cc1ccc(F)cc1 ZINC000827815720 633521428 /nfs/dbraw/zinc/52/14/28/633521428.db2.gz ZZRJQYDWRCJIOW-UHFFFAOYSA-N 1 1 282.362 3.207 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000870119757 633532884 /nfs/dbraw/zinc/53/28/84/633532884.db2.gz DTXNUEKVTKGYRL-MRXNPFEDSA-N 1 1 298.430 3.248 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)CCCn1cc[nH+]c1C ZINC000870282132 633552856 /nfs/dbraw/zinc/55/28/56/633552856.db2.gz YVHNYSYTCFICBH-UHFFFAOYSA-N 1 1 277.412 3.080 20 30 CGEDMO CCCCCCCCC[N@H+]1CCC[C@@H]1c1nc(=N)n(C)[nH]1 ZINC000829458019 633737030 /nfs/dbraw/zinc/73/70/30/633737030.db2.gz DDPYVYIDWCTZOR-CQSZACIVSA-N 1 1 293.459 3.115 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000829768725 633779024 /nfs/dbraw/zinc/77/90/24/633779024.db2.gz JIAPMTPDIZPCNA-LBPRGKRZSA-N 1 1 287.388 3.033 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2nc(-c3cccs3)no2)C1 ZINC000829768725 633779029 /nfs/dbraw/zinc/77/90/29/633779029.db2.gz JIAPMTPDIZPCNA-LBPRGKRZSA-N 1 1 287.388 3.033 20 30 CGEDMO C#CC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000829774383 633780251 /nfs/dbraw/zinc/78/02/51/633780251.db2.gz POYKZRHRYZHDPH-SJORKVTESA-N 1 1 298.430 3.366 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2cncc(Br)c2)C1 ZINC000829784019 633781932 /nfs/dbraw/zinc/78/19/32/633781932.db2.gz DKOURWBQRDDDSI-GFCCVEGCSA-N 1 1 293.208 3.079 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cncc(Br)c2)C1 ZINC000829784019 633781935 /nfs/dbraw/zinc/78/19/35/633781935.db2.gz DKOURWBQRDDDSI-GFCCVEGCSA-N 1 1 293.208 3.079 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](C[C@H](O)c2cc(C)cc(C)c2)C1 ZINC000829785566 633783450 /nfs/dbraw/zinc/78/34/50/633783450.db2.gz WHNXFXOVRGLUGQ-WMZOPIPTSA-N 1 1 271.404 3.072 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc(=O)oc3cc(C)ccc23)C1 ZINC000829789505 633786022 /nfs/dbraw/zinc/78/60/22/633786022.db2.gz XELFTWIDCPUVQH-OAHLLOKOSA-N 1 1 295.382 3.337 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+]([C@@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000829804455 633790226 /nfs/dbraw/zinc/79/02/26/633790226.db2.gz HKEMSERBVGIOOU-UONOGXRCSA-N 1 1 289.375 3.171 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](C[C@@H](OC)c2ccccc2)C1 ZINC000829815472 633797003 /nfs/dbraw/zinc/79/70/03/633797003.db2.gz MMDRMLXUZKXCHV-DOTOQJQBSA-N 1 1 257.377 3.109 20 30 CGEDMO Cc1[nH+]ccn1CCSc1c(C)cccc1C#N ZINC000871691531 633827418 /nfs/dbraw/zinc/82/74/18/633827418.db2.gz WMRANEXFXNHDBN-UHFFFAOYSA-N 1 1 257.362 3.164 20 30 CGEDMO N#Cc1cccc(Cl)c1SCCC[NH+]1CCOCC1 ZINC000871692394 633828139 /nfs/dbraw/zinc/82/81/39/633828139.db2.gz MOJZNMBCMZJNKJ-UHFFFAOYSA-N 1 1 296.823 3.026 20 30 CGEDMO C[C@H]1CC2(C[N@H+]1Cc1ccc(F)cc1C#N)CCOCC2 ZINC000830623073 633874732 /nfs/dbraw/zinc/87/47/32/633874732.db2.gz XKCVAOKIUYJGAJ-ZDUSSCGKSA-N 1 1 288.366 3.088 20 30 CGEDMO CC(C)C[C@]1(C)CCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000830803456 633890250 /nfs/dbraw/zinc/89/02/50/633890250.db2.gz MQPZWWAKJJDWDL-ROUUACIJSA-N 1 1 286.419 3.492 20 30 CGEDMO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(C(F)(F)F)nc1 ZINC000871935706 633920409 /nfs/dbraw/zinc/92/04/09/633920409.db2.gz AYRGHVNWEXDZSN-QWRGUYRKSA-N 1 1 296.296 3.195 20 30 CGEDMO CC(C)c1cc([C@@H]2CCC[N@H+]([C@H]3CC[C@@H](C#N)C3)C2)[nH]n1 ZINC000872094425 634019180 /nfs/dbraw/zinc/01/91/80/634019180.db2.gz GMUHUNQLSNLPST-KFWWJZLASA-N 1 1 286.423 3.405 20 30 CGEDMO CC(C)c1cc([C@@H]2CCC[N@@H+]([C@H]3CC[C@@H](C#N)C3)C2)n[nH]1 ZINC000872094425 634019181 /nfs/dbraw/zinc/01/91/81/634019181.db2.gz GMUHUNQLSNLPST-KFWWJZLASA-N 1 1 286.423 3.405 20 30 CGEDMO CC(C)c1cc([C@@H]2CCC[N@H+]([C@H]3CC[C@@H](C#N)C3)C2)n[nH]1 ZINC000872094425 634019184 /nfs/dbraw/zinc/01/91/84/634019184.db2.gz GMUHUNQLSNLPST-KFWWJZLASA-N 1 1 286.423 3.405 20 30 CGEDMO Cc1ccc(N[NH+]=C2CCCc3nc(N)ccc32)cc1 ZINC000834915483 634286404 /nfs/dbraw/zinc/28/64/04/634286404.db2.gz KDUWDLYDRFVLME-UHFFFAOYSA-N 1 1 266.348 3.125 20 30 CGEDMO FC1(F)CC1=C[NH2+]Nc1nc(-c2ccc(Cl)cc2)no1 ZINC000834958410 634293953 /nfs/dbraw/zinc/29/39/53/634293953.db2.gz NRKUAURZRQENEL-MRVPVSSYSA-N 1 1 298.680 3.443 20 30 CGEDMO CC[N@@H+](C[C@H](C)C#N)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000876617228 634869268 /nfs/dbraw/zinc/86/92/68/634869268.db2.gz HVPAIHGYAFHEQG-CYBMUJFWSA-N 1 1 297.443 3.019 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCCC[C@@H]1CN1CCCC1=O ZINC000876730385 634888177 /nfs/dbraw/zinc/88/81/77/634888177.db2.gz IFNBVVHTHKIOQB-QGZVFWFLSA-N 1 1 290.451 3.047 20 30 CGEDMO N#Cc1cnc(Cl)c(C[NH2+][C@H]2CCCc3occc32)c1 ZINC000876928976 634929338 /nfs/dbraw/zinc/92/93/38/634929338.db2.gz DZQQREFOWBEYSW-ZDUSSCGKSA-N 1 1 287.750 3.367 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@H]1COC(=O)CCCCCC#N ZINC000837728216 634974597 /nfs/dbraw/zinc/97/45/97/634974597.db2.gz AVDSCLXXCIAXKY-HNNXBMFYSA-N 1 1 280.412 3.267 20 30 CGEDMO C#CCCCCCC[N@@H+](C)Cc1ncc(Cl)n1C ZINC000877167998 635005934 /nfs/dbraw/zinc/00/59/34/635005934.db2.gz CJJCUVBAHWEXTQ-UHFFFAOYSA-N 1 1 267.804 3.089 20 30 CGEDMO C#CCCCCCC[N@H+](C)Cc1ncc(Cl)n1C ZINC000877167998 635005937 /nfs/dbraw/zinc/00/59/37/635005937.db2.gz CJJCUVBAHWEXTQ-UHFFFAOYSA-N 1 1 267.804 3.089 20 30 CGEDMO CC(C)Oc1ccc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1C#N ZINC000877174163 635006918 /nfs/dbraw/zinc/00/69/18/635006918.db2.gz BAKNBCHRLJMBJL-CJNGLKHVSA-N 1 1 287.407 3.240 20 30 CGEDMO C=CCC[N@H+](C)Cc1cn(C)nc1-c1cc(F)ccc1F ZINC000877465266 635047778 /nfs/dbraw/zinc/04/77/78/635047778.db2.gz QPXLZNBWLDOASB-UHFFFAOYSA-N 1 1 291.345 3.373 20 30 CGEDMO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1nc(Cl)cs1 ZINC000877483219 635054813 /nfs/dbraw/zinc/05/48/13/635054813.db2.gz QCSGZPIOXGTJJT-LBPRGKRZSA-N 1 1 289.791 3.445 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)cnc1Cl)C1(C)CCCC1 ZINC000877483256 635054884 /nfs/dbraw/zinc/05/48/84/635054884.db2.gz RDZLHJSSRJYQTJ-UHFFFAOYSA-N 1 1 263.772 3.371 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1nc2cc(F)ccc2o1)C(C)(C)C ZINC000877534625 635076488 /nfs/dbraw/zinc/07/64/88/635076488.db2.gz LQRCDZRXJFSWOH-CYBMUJFWSA-N 1 1 260.312 3.104 20 30 CGEDMO C#CCCCCCC[N@@H+](C)Cc1csc(C(C)(C)O)n1 ZINC000877573044 635098515 /nfs/dbraw/zinc/09/85/15/635098515.db2.gz KTLFHRZREZFAOE-UHFFFAOYSA-N 1 1 294.464 3.386 20 30 CGEDMO C#CCCCCCC[N@H+](C)Cc1csc(C(C)(C)O)n1 ZINC000877573044 635098519 /nfs/dbraw/zinc/09/85/19/635098519.db2.gz KTLFHRZREZFAOE-UHFFFAOYSA-N 1 1 294.464 3.386 20 30 CGEDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000877593893 635105790 /nfs/dbraw/zinc/10/57/90/635105790.db2.gz ITBRDGHFNBSZCT-OUAUKWLOSA-N 1 1 263.772 3.083 20 30 CGEDMO C#CCCCCCC[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000877604705 635108603 /nfs/dbraw/zinc/10/86/03/635108603.db2.gz PDSYABKXGNOPFQ-KRWDZBQOSA-N 1 1 256.393 3.455 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc3ccccc3n2C)C1 ZINC000877649649 635131512 /nfs/dbraw/zinc/13/15/12/635131512.db2.gz DJYLTQHNHZCBSL-CQSZACIVSA-N 1 1 252.361 3.024 20 30 CGEDMO CC(C)(CCC#N)C[N@@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000877713429 635161386 /nfs/dbraw/zinc/16/13/86/635161386.db2.gz IVGIPNVHUZDUGK-MRXNPFEDSA-N 1 1 298.434 3.196 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2C[C@@H](O)CC(C)(C)C2)cc1 ZINC000877751392 635181810 /nfs/dbraw/zinc/18/18/10/635181810.db2.gz DWQAPAKEBVDYGS-INIZCTEOSA-N 1 1 286.419 3.081 20 30 CGEDMO C[N@@H+](CCCc1ccccc1)C[C@@H](O)c1cccc(C#N)c1 ZINC000841494035 635186494 /nfs/dbraw/zinc/18/64/94/635186494.db2.gz YVDGAQNVRRALGX-LJQANCHMSA-N 1 1 294.398 3.156 20 30 CGEDMO CC([NH2+]Nc1ccccc1[N+](=O)[O-])=C1CC1(F)F ZINC000841604156 635195381 /nfs/dbraw/zinc/19/53/81/635195381.db2.gz NBFFJBMONVTGDT-MRVPVSSYSA-N 1 1 255.224 3.038 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CC[C@@]3(CCc4ccccc43)C2)n1 ZINC000877810514 635213084 /nfs/dbraw/zinc/21/30/84/635213084.db2.gz IJLHLBDSSDNVQS-KRWDZBQOSA-N 1 1 295.411 3.105 20 30 CGEDMO N#Cc1csc(C[N@H+]2CC[C@@]3(CCc4ccccc43)C2)n1 ZINC000877810514 635213088 /nfs/dbraw/zinc/21/30/88/635213088.db2.gz IJLHLBDSSDNVQS-KRWDZBQOSA-N 1 1 295.411 3.105 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@](C)(C(F)(F)F)C2)cc1C#N ZINC000877811920 635214629 /nfs/dbraw/zinc/21/46/29/635214629.db2.gz CGYARAFLABFICI-AWEZNQCLSA-N 1 1 298.308 3.341 20 30 CGEDMO Cc1csc([C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)n1 ZINC000877812527 635217113 /nfs/dbraw/zinc/21/71/13/635217113.db2.gz CIVYLWIGEQZAHK-LLVKDONJSA-N 1 1 289.429 3.374 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000877898921 635257006 /nfs/dbraw/zinc/25/70/06/635257006.db2.gz VNJDJFAIFVSALM-INIZCTEOSA-N 1 1 283.419 3.031 20 30 CGEDMO CCCCCCCCC[N@H+]1C[C@@H](C)N(CCO)C[C@H]1C ZINC000842162867 635301169 /nfs/dbraw/zinc/30/11/69/635301169.db2.gz IWINCAVVWSZHLP-IAGOWNOFSA-N 1 1 284.488 3.124 20 30 CGEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1C[C@@H](OC)C1 ZINC000878002070 635315474 /nfs/dbraw/zinc/31/54/74/635315474.db2.gz MERUJQGQRLODTL-FZNQNYSPSA-N 1 1 290.363 3.008 20 30 CGEDMO FC1(F)CCC(=[NH+]n2cc(Br)cn2)CC1 ZINC000842528343 635391532 /nfs/dbraw/zinc/39/15/32/635391532.db2.gz INERWSUXGFOXPK-UHFFFAOYSA-N 1 1 278.100 3.059 20 30 CGEDMO C=C/C=C/CC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000878322882 635461190 /nfs/dbraw/zinc/46/11/90/635461190.db2.gz QOKOMNSFGCCQMW-IDOMTICXSA-N 1 1 268.360 3.064 20 30 CGEDMO C=C/C=C/CC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000878322882 635461193 /nfs/dbraw/zinc/46/11/93/635461193.db2.gz QOKOMNSFGCCQMW-IDOMTICXSA-N 1 1 268.360 3.064 20 30 CGEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CCCC2(CC2)C1)c1ccccc1 ZINC000878444701 635511106 /nfs/dbraw/zinc/51/11/06/635511106.db2.gz NJACWOUJGZQFBO-IBGZPJMESA-N 1 1 296.414 3.303 20 30 CGEDMO CC[N@@H+](CC1(CC#N)CC1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000878635900 635582748 /nfs/dbraw/zinc/58/27/48/635582748.db2.gz SXRUTPRKJYIOPF-GDBMZVCRSA-N 1 1 272.392 3.124 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCCC2(C)C)cc1 ZINC000127266429 635593924 /nfs/dbraw/zinc/59/39/24/635593924.db2.gz WNAHDCJYKCJSQR-ZDUSSCGKSA-N 1 1 258.365 3.352 20 30 CGEDMO C=CC[C@H](C)[NH+]1CCC(Cc2nnc(C(C)C)[nH]2)CC1 ZINC000878797577 635632328 /nfs/dbraw/zinc/63/23/28/635632328.db2.gz MQXSTFAZLABMOE-ZDUSSCGKSA-N 1 1 276.428 3.147 20 30 CGEDMO C=CC[C@H](C)[NH+]1CCC(Cc2n[nH]c(C(C)C)n2)CC1 ZINC000878797577 635632330 /nfs/dbraw/zinc/63/23/30/635632330.db2.gz MQXSTFAZLABMOE-ZDUSSCGKSA-N 1 1 276.428 3.147 20 30 CGEDMO CC(C)[C@H]1[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CC12CC=CC2 ZINC000843297157 635641011 /nfs/dbraw/zinc/64/10/11/635641011.db2.gz RRMDVQCSJTZSGU-QZTJIDSGSA-N 1 1 296.414 3.268 20 30 CGEDMO C=CC[N@@H+](C[C@@H]1CC(C)(C)OC1(C)C)[C@@H](C)COC ZINC000878889621 635651427 /nfs/dbraw/zinc/65/14/27/635651427.db2.gz DEQALRSSSXCIPZ-KBPBESRZSA-N 1 1 269.429 3.103 20 30 CGEDMO C#CCCCCC[N@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000878954403 635665845 /nfs/dbraw/zinc/66/58/45/635665845.db2.gz VSLSJHXYEXPMQA-SJORKVTESA-N 1 1 263.425 3.461 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(OCC)cc2O)C1 ZINC000843424310 635668891 /nfs/dbraw/zinc/66/88/91/635668891.db2.gz RDDFDXFQNKNEPQ-CQSZACIVSA-N 1 1 273.376 3.026 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2occc2Br)C1 ZINC000843424551 635669907 /nfs/dbraw/zinc/66/99/07/635669907.db2.gz WBYZMPGIQYXFNB-NSHDSACASA-N 1 1 282.181 3.277 20 30 CGEDMO C=C/C=C/CC[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000879064584 635693690 /nfs/dbraw/zinc/69/36/90/635693690.db2.gz JZQLSDPVTCFNCQ-ONEGZZNKSA-N 1 1 252.361 3.243 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2[C@@H](O)c2ccccc2)c1 ZINC000879240873 635731608 /nfs/dbraw/zinc/73/16/08/635731608.db2.gz PSZOHIFAVPPNJV-MOPGFXCFSA-N 1 1 292.382 3.256 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)c1 ZINC000879528168 635804251 /nfs/dbraw/zinc/80/42/51/635804251.db2.gz NNOGOGGTVPMHQQ-OKILXGFUSA-N 1 1 256.324 3.095 20 30 CGEDMO C#CCCCCC[N@H+]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC000879636305 635824308 /nfs/dbraw/zinc/82/43/08/635824308.db2.gz MFLCFUVFKFMQNR-GOSISDBHSA-N 1 1 287.403 3.262 20 30 CGEDMO CCCCCCC[N@@H+](CCOC)C1CCOCC1 ZINC000879707922 635840486 /nfs/dbraw/zinc/84/04/86/635840486.db2.gz JSULJWLENARXHR-UHFFFAOYSA-N 1 1 257.418 3.084 20 30 CGEDMO C[N@@H+](CCCSCC#N)Cc1ccc2cc[nH]c2c1 ZINC000879725758 635843990 /nfs/dbraw/zinc/84/39/90/635843990.db2.gz BKKFOXSCHCKZNC-UHFFFAOYSA-N 1 1 273.405 3.247 20 30 CGEDMO C[N@@H+](C[C@@H](O)c1cccc(C#N)c1)[C@@H]1C=CCCCCC1 ZINC000844370758 635882284 /nfs/dbraw/zinc/88/22/84/635882284.db2.gz JDADALWTUUEFMH-QZTJIDSGSA-N 1 1 284.403 3.412 20 30 CGEDMO N#CCc1ccc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000844439792 635902450 /nfs/dbraw/zinc/90/24/50/635902450.db2.gz KARYXJHHOQNHMP-OAHLLOKOSA-N 1 1 276.330 3.374 20 30 CGEDMO CCC1(CC)CCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000880095789 635913205 /nfs/dbraw/zinc/91/32/05/635913205.db2.gz OXAZXWLNYIEJGR-UHFFFAOYSA-N 1 1 291.420 3.213 20 30 CGEDMO C=C[C@@H](C)ON=C(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000844621908 635944664 /nfs/dbraw/zinc/94/46/64/635944664.db2.gz PNIQBHCEOOHUCF-RHSMWYFYSA-N 1 1 272.392 3.476 20 30 CGEDMO C[C@H](c1ccccc1)N1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000880251057 635956469 /nfs/dbraw/zinc/95/64/69/635956469.db2.gz POTUESWXFNEDEM-SOLBZPMBSA-N 1 1 283.419 3.057 20 30 CGEDMO C=CCCC[C@H]([NH2+]Cc1ncnn1C)c1ccccc1 ZINC000880387535 635991091 /nfs/dbraw/zinc/99/10/91/635991091.db2.gz BSWSPTRWNLJEEP-HNNXBMFYSA-N 1 1 270.380 3.002 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)cc1C)[C@H](CO)c1ccccc1 ZINC000880463198 636006030 /nfs/dbraw/zinc/00/60/30/636006030.db2.gz LIFNPNCCUOTQIV-LJQANCHMSA-N 1 1 294.398 3.422 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000880695723 636037425 /nfs/dbraw/zinc/03/74/25/636037425.db2.gz OFQHNATZUCIOAP-AWEZNQCLSA-N 1 1 278.440 3.112 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2OC)C1 ZINC000847018250 636311592 /nfs/dbraw/zinc/31/15/92/636311592.db2.gz IIBCUEVELOIDAZ-GFCCVEGCSA-N 1 1 263.768 3.194 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+]([C@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000847022176 636314229 /nfs/dbraw/zinc/31/42/29/636314229.db2.gz FTONWDQCWKJAAV-ZIAGYGMSSA-N 1 1 281.359 3.143 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000847022176 636314231 /nfs/dbraw/zinc/31/42/31/636314231.db2.gz FTONWDQCWKJAAV-ZIAGYGMSSA-N 1 1 281.359 3.143 20 30 CGEDMO C#C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000847029975 636318918 /nfs/dbraw/zinc/31/89/18/636318918.db2.gz ORQKFINQIVLXJS-HOTGVXAUSA-N 1 1 298.430 3.482 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000847029975 636318921 /nfs/dbraw/zinc/31/89/21/636318921.db2.gz ORQKFINQIVLXJS-HOTGVXAUSA-N 1 1 298.430 3.482 20 30 CGEDMO C#C[C@H]1CCC[N@@H+]([C@@H](C)c2nnc(-c3cccs3)o2)C1 ZINC000847032591 636318934 /nfs/dbraw/zinc/31/89/34/636318934.db2.gz XGTKUYKKFQBQEG-RYUDHWBXSA-N 1 1 287.388 3.204 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@@H](C)c2nnc(-c3cccs3)o2)C1 ZINC000847032591 636318935 /nfs/dbraw/zinc/31/89/35/636318935.db2.gz XGTKUYKKFQBQEG-RYUDHWBXSA-N 1 1 287.388 3.204 20 30 CGEDMO CC[N@H+]1CC[C@@H]1CNc1cccc(C(F)F)c1C#N ZINC000882959784 636480362 /nfs/dbraw/zinc/48/03/62/636480362.db2.gz PWDKKBPYSARMAI-SNVBAGLBSA-N 1 1 265.307 3.002 20 30 CGEDMO COc1ccc(N=NC2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000848407309 636568787 /nfs/dbraw/zinc/56/87/87/636568787.db2.gz OPQREYFHGIIIQM-MRXNPFEDSA-N 1 1 273.380 3.111 20 30 CGEDMO Fc1cccc(N=NC2CCC[N@H+]3CCCC[C@H]23)c1F ZINC000848406319 636568894 /nfs/dbraw/zinc/56/88/94/636568894.db2.gz LVXMKMYCIWOKBN-CQSZACIVSA-N 1 1 279.334 3.381 20 30 CGEDMO C=CCC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCc2cn[nH]c2C1 ZINC000883197616 636579808 /nfs/dbraw/zinc/57/98/08/636579808.db2.gz PKLMMNGMTABEDF-ZWKOTPCHSA-N 1 1 295.430 3.434 20 30 CGEDMO C=CCC[C@H]([NH2+]C1CC(N2CCCCC2)C1)[C@@H]1CCCO1 ZINC000883220159 636594764 /nfs/dbraw/zinc/59/47/64/636594764.db2.gz FKZDLXKRTGZYHJ-FOIPXRHGSA-N 1 1 292.467 3.107 20 30 CGEDMO C=CCCCc1nc(CCCCn2c[nH+]c(C)c2C)no1 ZINC000848614832 636618795 /nfs/dbraw/zinc/61/87/95/636618795.db2.gz KLFIATAIYOXUHH-UHFFFAOYSA-N 1 1 288.395 3.415 20 30 CGEDMO CC(C)(C)CCc1noc([C@H]([NH3+])CCCCC#N)n1 ZINC000848631725 636624127 /nfs/dbraw/zinc/62/41/27/636624127.db2.gz JRDVTNOBUIINMG-LLVKDONJSA-N 1 1 264.373 3.132 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2CCC)C1 ZINC000848923081 636693821 /nfs/dbraw/zinc/69/38/21/636693821.db2.gz DYCHZCSHZILMAI-HNNXBMFYSA-N 1 1 281.403 3.292 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2nc3ccccc3n2CCC)C1 ZINC000848923081 636693833 /nfs/dbraw/zinc/69/38/33/636693833.db2.gz DYCHZCSHZILMAI-HNNXBMFYSA-N 1 1 281.403 3.292 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000848923519 636693984 /nfs/dbraw/zinc/69/39/84/636693984.db2.gz GIBHRBBMBDCAMS-NSHDSACASA-N 1 1 283.293 3.272 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2c(C)nn(CCCC)c2Cl)C1 ZINC000848922955 636694181 /nfs/dbraw/zinc/69/41/81/636694181.db2.gz ADHLIZIKFXXEAM-CQSZACIVSA-N 1 1 293.842 3.490 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2c(C)nn(CCCC)c2Cl)C1 ZINC000848922955 636694184 /nfs/dbraw/zinc/69/41/84/636694184.db2.gz ADHLIZIKFXXEAM-CQSZACIVSA-N 1 1 293.842 3.490 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccnn2-c2ccccc2C)C1 ZINC000848923741 636695869 /nfs/dbraw/zinc/69/58/69/636695869.db2.gz IYZLUBNIHIGGJI-MRXNPFEDSA-N 1 1 279.387 3.026 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(C)cc2-c2cnn(C)c2)C1 ZINC000848924689 636696810 /nfs/dbraw/zinc/69/68/10/636696810.db2.gz YCVIZGDBYLGTHF-INIZCTEOSA-N 1 1 293.414 3.241 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2nccc3ccccc32)C1 ZINC000848924756 636697310 /nfs/dbraw/zinc/69/73/10/636697310.db2.gz ZKHUGJQTBLTNAY-CQSZACIVSA-N 1 1 250.345 3.080 20 30 CGEDMO CCOc1ccc(O)c(/C=N/C[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000849169720 636761820 /nfs/dbraw/zinc/76/18/20/636761820.db2.gz HVQKEJZVNLKBFA-XWAFYUISSA-N 1 1 290.407 3.083 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000133466292 636899995 /nfs/dbraw/zinc/89/99/95/636899995.db2.gz CTCURTSJXKYKFT-AWEZNQCLSA-N 1 1 250.773 3.315 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000133466292 636900001 /nfs/dbraw/zinc/90/00/01/636900001.db2.gz CTCURTSJXKYKFT-AWEZNQCLSA-N 1 1 250.773 3.315 20 30 CGEDMO C[N@@H+](CCSC(F)(F)F)Cc1ccc(C#N)cc1 ZINC000885937705 637321189 /nfs/dbraw/zinc/32/11/89/637321189.db2.gz HZIPBWNZRJCKIY-UHFFFAOYSA-N 1 1 274.311 3.243 20 30 CGEDMO C[C@@H](c1cccs1)[N@@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000885959414 637332718 /nfs/dbraw/zinc/33/27/18/637332718.db2.gz ZZTYYMRDGJFHCM-QWHCGFSZSA-N 1 1 278.421 3.186 20 30 CGEDMO C#CC[N@@H+](C[C@@H]1C[C@]12CCOC2)[C@@H]1CCc2ccccc21 ZINC000885965335 637335297 /nfs/dbraw/zinc/33/52/97/637335297.db2.gz MPOYCIQWFKQWAN-UHOSZYNNSA-N 1 1 281.399 3.036 20 30 CGEDMO C[N@@H+](C[C@@H](O)CC1(C#N)CCC1)C1CCCCCCC1 ZINC000885973158 637339263 /nfs/dbraw/zinc/33/92/63/637339263.db2.gz PGLUHSRLGWEUIF-INIZCTEOSA-N 1 1 278.440 3.476 20 30 CGEDMO C[C@@H]1c2ccccc2CC[N@@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886001857 637352414 /nfs/dbraw/zinc/35/24/14/637352414.db2.gz LJYJMTYVIFFUKD-GDBMZVCRSA-N 1 1 284.403 3.051 20 30 CGEDMO C[C@H]1c2ccccc2CC[N@@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886001858 637352509 /nfs/dbraw/zinc/35/25/09/637352509.db2.gz LJYJMTYVIFFUKD-GOEBONIOSA-N 1 1 284.403 3.051 20 30 CGEDMO CCS[C@@H]1CCCC[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886005691 637355332 /nfs/dbraw/zinc/35/53/32/637355332.db2.gz IBARTWIYMZPJFJ-HUUCEWRRSA-N 1 1 296.480 3.039 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H]1C[C@@]12CCOC2 ZINC000886028117 637372700 /nfs/dbraw/zinc/37/27/00/637372700.db2.gz MJQDSJYFKGAJSL-ZSYWTGECSA-N 1 1 296.414 3.185 20 30 CGEDMO CC(C)C[C@H]1CCC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886040211 637380139 /nfs/dbraw/zinc/38/01/39/637380139.db2.gz UMURRHZLHNCZEH-CVEARBPZSA-N 1 1 278.440 3.189 20 30 CGEDMO CCC[C@H]1CCCC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886134582 637429831 /nfs/dbraw/zinc/42/98/31/637429831.db2.gz WPKXCXCLWYIMRL-GJZGRUSLSA-N 1 1 264.413 3.086 20 30 CGEDMO C#CCOCC[N@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000851710074 637469699 /nfs/dbraw/zinc/46/96/99/637469699.db2.gz FESBVTMKNHADIV-ZDUSSCGKSA-N 1 1 257.333 3.075 20 30 CGEDMO C#CCOCC[N@H+]1CCC[C@H]1c1nc2ccccc2s1 ZINC000851719297 637474663 /nfs/dbraw/zinc/47/46/63/637474663.db2.gz XVDCMBMPXDCPTG-AWEZNQCLSA-N 1 1 286.400 3.083 20 30 CGEDMO C=CC[N@H+](CC[C@@H]1Sc2ccccc2NC1=O)C(C)C ZINC000851731034 637480428 /nfs/dbraw/zinc/48/04/28/637480428.db2.gz JHOPBODVSAMSRA-HNNXBMFYSA-N 1 1 290.432 3.386 20 30 CGEDMO C#CC[N@@H+](Cc1cccc(F)n1)[C@@H]1CCc2ccccc21 ZINC000851735389 637483749 /nfs/dbraw/zinc/48/37/49/637483749.db2.gz DTMTXRJXCVPKPV-QGZVFWFLSA-N 1 1 280.346 3.343 20 30 CGEDMO C#CC[N@H+](Cc1cccc(F)n1)[C@@H]1CCc2ccccc21 ZINC000851735389 637483756 /nfs/dbraw/zinc/48/37/56/637483756.db2.gz DTMTXRJXCVPKPV-QGZVFWFLSA-N 1 1 280.346 3.343 20 30 CGEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CC[C@H](OC)C1 ZINC000851738881 637485164 /nfs/dbraw/zinc/48/51/64/637485164.db2.gz WAFDIDMJRHKTMF-HOCLYGCPSA-N 1 1 290.363 3.150 20 30 CGEDMO FC(F)(F)c1ccc(C#CC[N@H+]2C[C@@H]3C[C@@H]3C2)cc1 ZINC000886336946 637504366 /nfs/dbraw/zinc/50/43/66/637504366.db2.gz YTXAYWXZJYGODG-BETUJISGSA-N 1 1 265.278 3.009 20 30 CGEDMO C#CC[C@H]1CC[N@H+]([C@@H](C)c2nnc(-c3cccc(C)c3)o2)C1 ZINC000886356385 637511158 /nfs/dbraw/zinc/51/11/58/637511158.db2.gz YVOUYBXSIHLFAQ-GJZGRUSLSA-N 1 1 295.386 3.451 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000886355097 637511516 /nfs/dbraw/zinc/51/15/16/637511516.db2.gz CBUZIIPBIUXIJR-CYBMUJFWSA-N 1 1 284.334 3.326 20 30 CGEDMO C#CC[C@@H]1CC[N@H+]([C@@H](C)c2nc3ccccc3o2)C1 ZINC000886363766 637513960 /nfs/dbraw/zinc/51/39/60/637513960.db2.gz CGYCUUQARBUROF-QWHCGFSZSA-N 1 1 254.333 3.234 20 30 CGEDMO C=CC[N@H+](CC[C@@H]1CC1(Cl)Cl)[C@H](C)COC ZINC000852357248 637641443 /nfs/dbraw/zinc/64/14/43/637641443.db2.gz YWNSIAWSKPHZOO-GHMZBOCLSA-N 1 1 266.212 3.093 20 30 CGEDMO C=CC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H](C)COC ZINC000852358652 637643185 /nfs/dbraw/zinc/64/31/85/637643185.db2.gz XBXISARLGKDRFQ-LLVKDONJSA-N 1 1 298.770 3.271 20 30 CGEDMO C=CC[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H](C)COC ZINC000852358652 637643189 /nfs/dbraw/zinc/64/31/89/637643189.db2.gz XBXISARLGKDRFQ-LLVKDONJSA-N 1 1 298.770 3.271 20 30 CGEDMO Cc1csc(C[C@@H]2CCC[N@@H+](CCCCC#N)C2)n1 ZINC000886696134 637662137 /nfs/dbraw/zinc/66/21/37/637662137.db2.gz HJDZUFARJPJNPC-AWEZNQCLSA-N 1 1 277.437 3.400 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](CCF)C1 ZINC000852533390 637674433 /nfs/dbraw/zinc/67/44/33/637674433.db2.gz UHYZYVXMVQAKOW-LBPRGKRZSA-N 1 1 264.319 3.269 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000852533390 637674436 /nfs/dbraw/zinc/67/44/36/637674436.db2.gz UHYZYVXMVQAKOW-LBPRGKRZSA-N 1 1 264.319 3.269 20 30 CGEDMO C=CC[N@H+](C[C@H](O)c1ccc(F)cc1C)C(C)(C)C ZINC000852554220 637677102 /nfs/dbraw/zinc/67/71/02/637677102.db2.gz HCLABDQCGXWQKR-HNNXBMFYSA-N 1 1 265.372 3.454 20 30 CGEDMO C=CC[N@H+](C[C@@H](C)NC(=O)OC(C)(C)C)C(C)(C)C ZINC000852554340 637677350 /nfs/dbraw/zinc/67/73/50/637677350.db2.gz JUMZJTJTAPFXFQ-GFCCVEGCSA-N 1 1 270.417 3.186 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)ccc1[N+](=O)[O-] ZINC000852686610 637695939 /nfs/dbraw/zinc/69/59/39/637695939.db2.gz YFJDEVAAAIFGIZ-OKILXGFUSA-N 1 1 276.311 3.417 20 30 CGEDMO Clc1cccc(C#CC[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1 ZINC000886816792 637705369 /nfs/dbraw/zinc/70/53/69/637705369.db2.gz YOXMXMPNSUSHOH-RDJZCZTQSA-N 1 1 289.806 3.192 20 30 CGEDMO CC12CC(C1)C[N@H+]2Cc1cc(Cl)ccc1OCC#N ZINC000852785350 637712212 /nfs/dbraw/zinc/71/22/12/637712212.db2.gz HLZGBLKDYXKFKA-UHFFFAOYSA-N 1 1 276.767 3.227 20 30 CGEDMO C[N@H+]1CCCC(N=Nc2cc(F)cc(Cl)c2)CC1 ZINC000853395829 637834814 /nfs/dbraw/zinc/83/48/14/637834814.db2.gz MRVZQUOFYUAEGS-UHFFFAOYSA-N 1 1 269.751 3.363 20 30 CGEDMO CCN(CC)c1ncc(C=[NH+]OCC2CCC2)s1 ZINC000853439259 637842876 /nfs/dbraw/zinc/84/28/76/637842876.db2.gz BXSNLACCHSUNSO-UHFFFAOYSA-N 1 1 267.398 3.140 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1nc(C(F)(F)F)cc1C ZINC000853598147 637871175 /nfs/dbraw/zinc/87/11/75/637871175.db2.gz MAHGZLFBUUXSTO-TXEJJXNPSA-N 1 1 285.313 3.351 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cn1nc(C(F)(F)F)cc1C ZINC000853598147 637871178 /nfs/dbraw/zinc/87/11/78/637871178.db2.gz MAHGZLFBUUXSTO-TXEJJXNPSA-N 1 1 285.313 3.351 20 30 CGEDMO C=C1CCC(C(=O)OCCCCn2cc[nH+]c2C)CC1 ZINC000885652464 637971116 /nfs/dbraw/zinc/97/11/16/637971116.db2.gz XXXKSCVHDPURMR-UHFFFAOYSA-N 1 1 276.380 3.261 20 30 CGEDMO CC(C)n1cc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)nn1 ZINC000925185265 638469533 /nfs/dbraw/zinc/46/95/33/638469533.db2.gz JNTHDSPQLHUXRQ-OLZOCXBDSA-N 1 1 283.379 3.142 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000857201274 638472290 /nfs/dbraw/zinc/47/22/90/638472290.db2.gz UBTKOAUWRCKFOW-HOTGVXAUSA-N 1 1 298.430 3.195 20 30 CGEDMO C[C@@H](CC(C)(C)C#N)[NH2+]CCc1ccc2cn[nH]c2c1 ZINC000926378429 638767903 /nfs/dbraw/zinc/76/79/03/638767903.db2.gz OBDWMSFCDHSFHA-LBPRGKRZSA-N 1 1 270.380 3.023 20 30 CGEDMO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1c2ccccc2OC[C@@H]1F ZINC000926891509 638822140 /nfs/dbraw/zinc/82/21/40/638822140.db2.gz YXIRVQUKFTYNHE-OSAQELSMSA-N 1 1 276.355 3.376 20 30 CGEDMO C[C@@H]([NH2+][C@@H]1CCCc2cccnc21)c1cccc(C#N)c1O ZINC000927062682 638836565 /nfs/dbraw/zinc/83/65/65/638836565.db2.gz OFQFZFUCSTWYEE-MLGOLLRUSA-N 1 1 293.370 3.387 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cnc(Br)c(C)c1 ZINC000929259328 638912847 /nfs/dbraw/zinc/91/28/47/638912847.db2.gz CDAIGJWUYHXJDC-UHFFFAOYSA-N 1 1 281.197 3.327 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)[C@@H](C)c1ncccn1 ZINC000929361528 638921089 /nfs/dbraw/zinc/92/10/89/638921089.db2.gz HZGTVDYCKYKMCJ-HNNXBMFYSA-N 1 1 267.376 3.268 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)[C@@H](C)c1ncccn1 ZINC000929361528 638921091 /nfs/dbraw/zinc/92/10/91/638921091.db2.gz HZGTVDYCKYKMCJ-HNNXBMFYSA-N 1 1 267.376 3.268 20 30 CGEDMO COCC[N@@H+](Cc1cncc(C#N)c1)[C@H](C)c1ccccc1 ZINC000929391205 638923120 /nfs/dbraw/zinc/92/31/20/638923120.db2.gz DJBNPLTUJKKJQL-OAHLLOKOSA-N 1 1 295.386 3.163 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCC[C@H](Cc3ccccc3)C2)c1 ZINC000929586034 638932618 /nfs/dbraw/zinc/93/26/18/638932618.db2.gz JGOZQRTZVARMAL-QGZVFWFLSA-N 1 1 291.398 3.408 20 30 CGEDMO Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2cncc(C#N)c2)s1 ZINC000929598823 638933728 /nfs/dbraw/zinc/93/37/28/638933728.db2.gz DHGSSWNBDKPILT-LLVKDONJSA-N 1 1 286.404 3.220 20 30 CGEDMO Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cncc(C#N)c2)s1 ZINC000929598823 638933729 /nfs/dbraw/zinc/93/37/29/638933729.db2.gz DHGSSWNBDKPILT-LLVKDONJSA-N 1 1 286.404 3.220 20 30 CGEDMO N#CC1(CCCC[N@@H+]2CC[C@@H](N3CCCCC3)C2)CCC1 ZINC000929607260 638934132 /nfs/dbraw/zinc/93/41/32/638934132.db2.gz NTQAORIXQCDNAV-QGZVFWFLSA-N 1 1 289.467 3.411 20 30 CGEDMO N#CC1(CCCC[N@H+]2CC[C@@H](N3CCCCC3)C2)CCC1 ZINC000929607260 638934134 /nfs/dbraw/zinc/93/41/34/638934134.db2.gz NTQAORIXQCDNAV-QGZVFWFLSA-N 1 1 289.467 3.411 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCCC3(CCCCC3)C2)c1 ZINC000929622473 638935413 /nfs/dbraw/zinc/93/54/13/638935413.db2.gz BGLFBSNCVSBHHQ-UHFFFAOYSA-N 1 1 269.392 3.500 20 30 CGEDMO COC(=O)CC[N@@H+](CCCCC1(C#N)CCC1)C(C)C ZINC000929635565 638936114 /nfs/dbraw/zinc/93/61/14/638936114.db2.gz OLAVQXJRVNIRFD-UHFFFAOYSA-N 1 1 280.412 3.124 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000929679045 638940589 /nfs/dbraw/zinc/94/05/89/638940589.db2.gz QJEXNVDUKSFNDD-WBVHZDCISA-N 1 1 286.419 3.104 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000929679045 638940591 /nfs/dbraw/zinc/94/05/91/638940591.db2.gz QJEXNVDUKSFNDD-WBVHZDCISA-N 1 1 286.419 3.104 20 30 CGEDMO C[C@H](CC#N)[N@H+](C)CCCN(C(=O)OC(C)(C)C)C1CC1 ZINC000929833376 638955933 /nfs/dbraw/zinc/95/59/33/638955933.db2.gz XLUUABHDAMCQKL-CYBMUJFWSA-N 1 1 295.427 3.010 20 30 CGEDMO C[C@H](CC#N)[N@@H+](C)CCCN(C(=O)OC(C)(C)C)C1CC1 ZINC000929833376 638955935 /nfs/dbraw/zinc/95/59/35/638955935.db2.gz XLUUABHDAMCQKL-CYBMUJFWSA-N 1 1 295.427 3.010 20 30 CGEDMO Cn1ncc2c1CCC[C@H]2[N@@H+](C)CC1CCC(C#N)CC1 ZINC000930064739 638971789 /nfs/dbraw/zinc/97/17/89/638971789.db2.gz BESRUKBVBVKPRC-ZBCRRDGASA-N 1 1 286.423 3.059 20 30 CGEDMO CC[C@@]1(C)COCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000930123158 638976320 /nfs/dbraw/zinc/97/63/20/638976320.db2.gz AIQZYYCKFPEREB-HNNXBMFYSA-N 1 1 264.413 3.351 20 30 CGEDMO Cc1cnn([C@H]2CC[N@@H+](Cc3c(C)cc(C#N)cc3C)C2)c1 ZINC000930527109 639018730 /nfs/dbraw/zinc/01/87/30/639018730.db2.gz UXABQRWSWPQZLU-KRWDZBQOSA-N 1 1 294.402 3.127 20 30 CGEDMO CC[C@@H]1CN(CC)CC[N@H+]1CCCCC1(C#N)CCC1 ZINC000930653488 639046883 /nfs/dbraw/zinc/04/68/83/639046883.db2.gz UROUQCNUCBFIFW-MRXNPFEDSA-N 1 1 277.456 3.267 20 30 CGEDMO CC[C@@H]1C[N@H+](CC)CCN1CCCCC1(C#N)CCC1 ZINC000930653488 639046886 /nfs/dbraw/zinc/04/68/86/639046886.db2.gz UROUQCNUCBFIFW-MRXNPFEDSA-N 1 1 277.456 3.267 20 30 CGEDMO CC[C@@H]1C[N@@H+](CC)CCN1CCCCC1(C#N)CCC1 ZINC000930653488 639046888 /nfs/dbraw/zinc/04/68/88/639046888.db2.gz UROUQCNUCBFIFW-MRXNPFEDSA-N 1 1 277.456 3.267 20 30 CGEDMO COC[C@H]1CCC[N@@H+](CC2CCC(C#N)CC2)CC1 ZINC000930674282 639051636 /nfs/dbraw/zinc/05/16/36/639051636.db2.gz CYQFUQXUJQLYBH-GPANFISMSA-N 1 1 264.413 3.065 20 30 CGEDMO CCN1CCC[N@@H+](CCCCC2(C#N)CCC2)[C@H](C)C1 ZINC000930709578 639057318 /nfs/dbraw/zinc/05/73/18/639057318.db2.gz CXCQAAAFERYPPO-MRXNPFEDSA-N 1 1 277.456 3.267 20 30 CGEDMO CC[N@@H+]1CCCN(CCCCC2(C#N)CCC2)[C@H](C)C1 ZINC000930709578 639057322 /nfs/dbraw/zinc/05/73/22/639057322.db2.gz CXCQAAAFERYPPO-MRXNPFEDSA-N 1 1 277.456 3.267 20 30 CGEDMO CC[N@H+]1CCCN(CCCCC2(C#N)CCC2)[C@H](C)C1 ZINC000930709578 639057328 /nfs/dbraw/zinc/05/73/28/639057328.db2.gz CXCQAAAFERYPPO-MRXNPFEDSA-N 1 1 277.456 3.267 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCO[C@H](C3CCC3)C2)CCC1 ZINC000930713350 639058232 /nfs/dbraw/zinc/05/82/32/639058232.db2.gz VTPWSHXTFSASEY-INIZCTEOSA-N 1 1 276.424 3.351 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)CC1 ZINC000930810232 639069815 /nfs/dbraw/zinc/06/98/15/639069815.db2.gz FSGBWPZSKLGXCU-BACDZXNISA-N 1 1 276.424 3.207 20 30 CGEDMO COc1ccc(F)cc1-c1cncc(C[NH2+][C@@H](C)CC#N)c1 ZINC000930867582 639079275 /nfs/dbraw/zinc/07/92/75/639079275.db2.gz KPSWEFCCAZJJDK-LBPRGKRZSA-N 1 1 299.349 3.288 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)[C@@H]1CCO ZINC000930971441 639093267 /nfs/dbraw/zinc/09/32/67/639093267.db2.gz QMODUGFUWLCZRO-MLGOLLRUSA-N 1 1 292.810 3.195 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)[C@@H]1CCO ZINC000930971439 639093705 /nfs/dbraw/zinc/09/37/05/639093705.db2.gz QMODUGFUWLCZRO-BLLLJJGKSA-N 1 1 292.810 3.195 20 30 CGEDMO C[N@@H+](CCCCC1(C#N)CCC1)CC1=CCCOC1 ZINC000930998054 639096453 /nfs/dbraw/zinc/09/64/53/639096453.db2.gz OBWYLEYCKIZVPB-UHFFFAOYSA-N 1 1 262.397 3.129 20 30 CGEDMO C=CC[N@@H+](C[C@H](O)CC[C@@H](O)c1ccccc1)C(C)(C)C ZINC000931017209 639098765 /nfs/dbraw/zinc/09/87/65/639098765.db2.gz NVFFPMICRSABMI-IAGOWNOFSA-N 1 1 291.435 3.148 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)c1cccc(C)c1 ZINC000931061697 639106066 /nfs/dbraw/zinc/10/60/66/639106066.db2.gz BTCBMOCHDDKZOO-IXDOHACOSA-N 1 1 257.377 3.211 20 30 CGEDMO C[C@@H]1C[N@@H+](CC2CCC(C#N)CC2)C[C@](C)(C(F)F)O1 ZINC000931079384 639108222 /nfs/dbraw/zinc/10/82/22/639108222.db2.gz JPRVNVQWBBKZSK-XZNOPERXSA-N 1 1 286.366 3.061 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000859444169 639142242 /nfs/dbraw/zinc/14/22/42/639142242.db2.gz FPVGJVCHMUJOLI-CABCVRRESA-N 1 1 294.439 3.141 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000859445418 639142594 /nfs/dbraw/zinc/14/25/94/639142594.db2.gz INMOLSSMZGKBLJ-IUODEOHRSA-N 1 1 265.784 3.271 20 30 CGEDMO C=CCCC[N@@H+]1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000931387182 639143857 /nfs/dbraw/zinc/14/38/57/639143857.db2.gz CGUKUROJNTVFLR-KRWDZBQOSA-N 1 1 285.366 3.463 20 30 CGEDMO C=CCCC[N@H+]1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1 ZINC000931387182 639143862 /nfs/dbraw/zinc/14/38/62/639143862.db2.gz CGUKUROJNTVFLR-KRWDZBQOSA-N 1 1 285.366 3.463 20 30 CGEDMO C=C(Br)C[NH2+]Cc1cc(C)ccc1F ZINC000116916490 639194431 /nfs/dbraw/zinc/19/44/31/639194431.db2.gz IKKVSLMZHOVTIO-UHFFFAOYSA-N 1 1 258.134 3.132 20 30 CGEDMO CN1CC[C@@H]2CC[C@H](C1)[N@H+]2CCCCC1(C#N)CCC1 ZINC000931720469 639196388 /nfs/dbraw/zinc/19/63/88/639196388.db2.gz YDFGNTVRGWANPB-JKSUJKDBSA-N 1 1 275.440 3.019 20 30 CGEDMO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2CCCCC1(C#N)CCC1 ZINC000931720469 639196393 /nfs/dbraw/zinc/19/63/93/639196393.db2.gz YDFGNTVRGWANPB-JKSUJKDBSA-N 1 1 275.440 3.019 20 30 CGEDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2CCCCC1(C#N)CCC1 ZINC000931720469 639196394 /nfs/dbraw/zinc/19/63/94/639196394.db2.gz YDFGNTVRGWANPB-JKSUJKDBSA-N 1 1 275.440 3.019 20 30 CGEDMO N#CC1(CCCC[N@H+]2C[C@@H]3CSC[C@@H]3C2)CCC1 ZINC000931747023 639199069 /nfs/dbraw/zinc/19/90/69/639199069.db2.gz OEUKCYOYOVGURL-OKILXGFUSA-N 1 1 264.438 3.145 20 30 CGEDMO FC(F)(F)CC[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931910921 639225836 /nfs/dbraw/zinc/22/58/36/639225836.db2.gz GYZYYQZOGVAASE-ZETCQYMHSA-N 1 1 279.199 3.305 20 30 CGEDMO C=C(CC)C[N@H+]1Cc2ccccc2OC2(CCOCC2)C1 ZINC000932040989 639255218 /nfs/dbraw/zinc/25/52/18/639255218.db2.gz WWQBNUNROGWCBQ-UHFFFAOYSA-N 1 1 287.403 3.396 20 30 CGEDMO CC(C)(C)OC[C@H]1CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000932164901 639280405 /nfs/dbraw/zinc/28/04/05/639280405.db2.gz WQZUNFGALQZZFC-OAHLLOKOSA-N 1 1 290.382 3.477 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC000932192473 639290864 /nfs/dbraw/zinc/29/08/64/639290864.db2.gz XMCZGPLOUXFJSR-CYBMUJFWSA-N 1 1 274.433 3.225 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](Cc3nccs3)C2)c1 ZINC000932196856 639293195 /nfs/dbraw/zinc/29/31/95/639293195.db2.gz MLTGKHVNMJNZJG-MRXNPFEDSA-N 1 1 297.427 3.469 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](Cc3nccs3)C2)C1 ZINC000932200580 639295270 /nfs/dbraw/zinc/29/52/70/639295270.db2.gz GMDRTICTPHHNTL-HZSPNIEDSA-N 1 1 275.421 3.090 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](Cc3nccs3)C2)C1 ZINC000932200583 639295799 /nfs/dbraw/zinc/29/57/99/639295799.db2.gz GMDRTICTPHHNTL-RDBSUJKOSA-N 1 1 275.421 3.090 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@@H]1[C@H](C)c1ccccc1 ZINC000932276573 639310473 /nfs/dbraw/zinc/31/04/73/639310473.db2.gz PIZCOZXYXCAQGY-BFYDXBDKSA-N 1 1 272.392 3.183 20 30 CGEDMO C#CC[N@H+](Cc1coc(-c2cccs2)n1)C(C)C ZINC000932391741 639324708 /nfs/dbraw/zinc/32/47/08/639324708.db2.gz MTLLRSSBQZPAJJ-UHFFFAOYSA-N 1 1 260.362 3.247 20 30 CGEDMO C#CC[N@@H+](Cc1coc(-c2cccs2)n1)C(C)C ZINC000932391741 639324712 /nfs/dbraw/zinc/32/47/12/639324712.db2.gz MTLLRSSBQZPAJJ-UHFFFAOYSA-N 1 1 260.362 3.247 20 30 CGEDMO C#CC[N@H+](Cc1nc(-c2ccsc2)no1)C(C)(C)C ZINC000932465628 639337259 /nfs/dbraw/zinc/33/72/59/639337259.db2.gz JXTRTMYRAQGLCO-UHFFFAOYSA-N 1 1 275.377 3.032 20 30 CGEDMO C#CC[N@@H+](Cc1nc(-c2ccsc2)no1)C(C)(C)C ZINC000932465628 639337263 /nfs/dbraw/zinc/33/72/63/639337263.db2.gz JXTRTMYRAQGLCO-UHFFFAOYSA-N 1 1 275.377 3.032 20 30 CGEDMO C#CC[N@@H+](Cc1cc2ccccc2[nH]c1=O)C(C)(C)C ZINC000932464929 639337400 /nfs/dbraw/zinc/33/74/00/639337400.db2.gz UNIAVFYKLYDVMZ-UHFFFAOYSA-N 1 1 268.360 3.174 20 30 CGEDMO C=C(Cl)C[NH+]1CCC2(CC1)C[C@H](O)c1ccccc1O2 ZINC000933067459 639410352 /nfs/dbraw/zinc/41/03/52/639410352.db2.gz XXHIBJSLBZTLOA-AWEZNQCLSA-N 1 1 293.794 3.090 20 30 CGEDMO C#CCC1([NH2+]Cc2nc(C(C)(C)C)no2)CCCCC1 ZINC000933268422 639434757 /nfs/dbraw/zinc/43/47/57/639434757.db2.gz ZRDCZAZHXJYOHA-UHFFFAOYSA-N 1 1 275.396 3.183 20 30 CGEDMO C=CC1(CC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CCCCC1 ZINC000933487576 639453996 /nfs/dbraw/zinc/45/39/96/639453996.db2.gz BXZOUGHBUZNTHX-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO N#Cc1ccc([C@@H]2C[N@H+](CC3=CCCC3)CCO2)cc1 ZINC000933631183 639472305 /nfs/dbraw/zinc/47/23/05/639472305.db2.gz IDGRUMSZNWBTOA-KRWDZBQOSA-N 1 1 268.360 3.042 20 30 CGEDMO N#Cc1ccc([C@@H]2C[N@@H+](CC3=CCCC3)CCO2)cc1 ZINC000933631183 639472313 /nfs/dbraw/zinc/47/23/13/639472313.db2.gz IDGRUMSZNWBTOA-KRWDZBQOSA-N 1 1 268.360 3.042 20 30 CGEDMO C[N@H+](CCC(=O)c1ccccc1)Cc1cc(C#N)cs1 ZINC000933774192 639489610 /nfs/dbraw/zinc/48/96/10/639489610.db2.gz YBEUOOMIWMQANO-UHFFFAOYSA-N 1 1 284.384 3.325 20 30 CGEDMO C[N@@H+](CCC(=O)c1ccccc1)Cc1cc(C#N)cs1 ZINC000933774192 639489615 /nfs/dbraw/zinc/48/96/15/639489615.db2.gz YBEUOOMIWMQANO-UHFFFAOYSA-N 1 1 284.384 3.325 20 30 CGEDMO CCCCCCC[N@@H+]1CCC[C@@H]1c1ncc(OC)c(=O)[nH]1 ZINC000934273162 639570987 /nfs/dbraw/zinc/57/09/87/639570987.db2.gz KFVYZDWWFDPWKN-CYBMUJFWSA-N 1 1 293.411 3.298 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H]1c1ncc(OC)c(=O)[nH]1 ZINC000934273162 639570991 /nfs/dbraw/zinc/57/09/91/639570991.db2.gz KFVYZDWWFDPWKN-CYBMUJFWSA-N 1 1 293.411 3.298 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](Cc2nccs2)C1 ZINC000934334201 639587505 /nfs/dbraw/zinc/58/75/05/639587505.db2.gz TUXBNVWGEIQKFE-OAHLLOKOSA-N 1 1 297.427 3.388 20 30 CGEDMO C[N@H+](CCC(C)(C)C#N)Cc1cc(-c2ccccc2)n[nH]1 ZINC000934414643 639604746 /nfs/dbraw/zinc/60/47/46/639604746.db2.gz JDZCZIHEVXGVFA-UHFFFAOYSA-N 1 1 282.391 3.448 20 30 CGEDMO C[N@@H+](CCC(C)(C)C#N)Cc1cc(-c2ccccc2)n[nH]1 ZINC000934414643 639604764 /nfs/dbraw/zinc/60/47/64/639604764.db2.gz JDZCZIHEVXGVFA-UHFFFAOYSA-N 1 1 282.391 3.448 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1CCC(=O)Nc1ccccc1SC ZINC000934464970 639613438 /nfs/dbraw/zinc/61/34/38/639613438.db2.gz BDSALXQKOXYYEZ-ZDUSSCGKSA-N 1 1 290.432 3.388 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1cc(=O)oc2cc(C)ccc12 ZINC000934465101 639614014 /nfs/dbraw/zinc/61/40/14/639614014.db2.gz CLWQWFVTMVLOHK-AWEZNQCLSA-N 1 1 269.344 3.252 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1CC(=O)Nc1sc(C)c(C)c1C ZINC000934468691 639614088 /nfs/dbraw/zinc/61/40/88/639614088.db2.gz GWWPQGXDSQNQBX-ZDUSSCGKSA-N 1 1 278.421 3.262 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1CC(=O)Nc1sc(C)c(C)c1C ZINC000934468691 639614091 /nfs/dbraw/zinc/61/40/91/639614091.db2.gz GWWPQGXDSQNQBX-ZDUSSCGKSA-N 1 1 278.421 3.262 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1csc(-c2ccccn2)n1 ZINC000934472088 639615066 /nfs/dbraw/zinc/61/50/66/639615066.db2.gz YODGEJHJFFVNEA-CYBMUJFWSA-N 1 1 271.389 3.356 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1csc(-c2ccccn2)n1 ZINC000934472088 639615075 /nfs/dbraw/zinc/61/50/75/639615075.db2.gz YODGEJHJFFVNEA-CYBMUJFWSA-N 1 1 271.389 3.356 20 30 CGEDMO CC#CC[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000158636618 640012147 /nfs/dbraw/zinc/01/21/47/640012147.db2.gz WUROJDZNZWYAEO-UHFFFAOYSA-N 1 1 256.393 3.132 20 30 CGEDMO CCCOC(=O)[C@@H](C)[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000159770024 640068401 /nfs/dbraw/zinc/06/84/01/640068401.db2.gz UHTDARCBXYIGPQ-CQSZACIVSA-N 1 1 288.391 3.110 20 30 CGEDMO CCCOC(=O)[C@@H](C)[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000159770024 640068406 /nfs/dbraw/zinc/06/84/06/640068406.db2.gz UHTDARCBXYIGPQ-CQSZACIVSA-N 1 1 288.391 3.110 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCS[C@H](C)CC2)cc1 ZINC000190690717 640261068 /nfs/dbraw/zinc/26/10/68/640261068.db2.gz BSRZNUNUDUBJHY-CQSZACIVSA-N 1 1 275.417 3.026 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192036754 640345597 /nfs/dbraw/zinc/34/55/97/640345597.db2.gz SQLACUPCASACEN-AWEZNQCLSA-N 1 1 265.397 3.150 20 30 CGEDMO CCCCCCCCC[NH+]1CCN(C[C@H]2CCOC2)CC1 ZINC000192059758 640347371 /nfs/dbraw/zinc/34/73/71/640347371.db2.gz UOHNCINKJYLHPT-GOSISDBHSA-N 1 1 296.499 3.391 20 30 CGEDMO CSC[C@@H]1CCC[N@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000245764175 640637068 /nfs/dbraw/zinc/63/70/68/640637068.db2.gz QKLCQDAVZPFAEK-ZFWWWQNUSA-N 1 1 290.432 3.305 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccoc2CC)C1 ZINC001007245797 640691528 /nfs/dbraw/zinc/69/15/28/640691528.db2.gz NVMIYEPXQNFBQZ-CQSZACIVSA-N 1 1 290.407 3.002 20 30 CGEDMO C#CC[N@H+](Cc1cc(OCC)ccc1O)C1CCCC1 ZINC000093819822 640783326 /nfs/dbraw/zinc/78/33/26/640783326.db2.gz VFRUWOOAYRIMAC-UHFFFAOYSA-N 1 1 273.376 3.169 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001007073662 640939600 /nfs/dbraw/zinc/93/96/00/640939600.db2.gz SRLHNEMZJFAKGY-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001007327179 640940908 /nfs/dbraw/zinc/94/09/08/640940908.db2.gz LJNSRHULZZCYCT-JKSUJKDBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC)s2)C1 ZINC001007844507 640944875 /nfs/dbraw/zinc/94/48/75/640944875.db2.gz KWGOHJSYMGUHQQ-ZDUSSCGKSA-N 1 1 292.448 3.081 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](CC3CCCC3)C2)C1 ZINC001008438399 640950386 /nfs/dbraw/zinc/95/03/86/640950386.db2.gz XVLRJVGAUUVZRW-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001008988116 640955239 /nfs/dbraw/zinc/95/52/39/640955239.db2.gz PNTVIDCBXAHPHG-ULQDDVLXSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C3CCC3)cc2)C1 ZINC001014637054 640973883 /nfs/dbraw/zinc/97/38/83/640973883.db2.gz BNOOOVHRPLNPLU-GOSISDBHSA-N 1 1 298.430 3.334 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2(C)CCCCCC2)C1 ZINC001014759071 640975188 /nfs/dbraw/zinc/97/51/88/640975188.db2.gz YZGDJYZGPIBLGX-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CCCC3CCC3)C2)C1 ZINC001015676700 640983741 /nfs/dbraw/zinc/98/37/41/640983741.db2.gz ODYQKHALAYETLA-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1 ZINC001015795399 640986885 /nfs/dbraw/zinc/98/68/85/640986885.db2.gz VYKCVWVOFSPPDW-DAYGRLMNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2(C)CCC(C)CC2)C1 ZINC001016367093 640997338 /nfs/dbraw/zinc/99/73/38/640997338.db2.gz IMYQAPNFYJLXTH-PQUAAJSLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC001017201309 641009615 /nfs/dbraw/zinc/00/96/15/641009615.db2.gz HCJKNTZZBJIFRS-SJLPKXTDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C1CCCC1 ZINC001017624756 641015098 /nfs/dbraw/zinc/01/50/98/641015098.db2.gz PDELKTKDFYLJAU-IYBDPMFKSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C1CCCC1 ZINC001017624756 641015102 /nfs/dbraw/zinc/01/51/02/641015102.db2.gz PDELKTKDFYLJAU-IYBDPMFKSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H](C)C1 ZINC001017864714 641017699 /nfs/dbraw/zinc/01/76/99/641017699.db2.gz MNGGLMMLHGDQFI-VQHPVUNQSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H](C)C1 ZINC001017864714 641017703 /nfs/dbraw/zinc/01/77/03/641017703.db2.gz MNGGLMMLHGDQFI-VQHPVUNQSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]1CC ZINC001017903237 641018691 /nfs/dbraw/zinc/01/86/91/641018691.db2.gz STGVGXOEEHTAIQ-NCOADZHNSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]1CC ZINC001017903237 641018696 /nfs/dbraw/zinc/01/86/96/641018696.db2.gz STGVGXOEEHTAIQ-NCOADZHNSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C1CCCC1 ZINC001018166551 641021051 /nfs/dbraw/zinc/02/10/51/641021051.db2.gz USTGNXDXDMICCL-OIISXLGYSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C1CCCC1 ZINC001018166551 641021055 /nfs/dbraw/zinc/02/10/55/641021055.db2.gz USTGNXDXDMICCL-OIISXLGYSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(CC)CC ZINC001018289106 641022098 /nfs/dbraw/zinc/02/20/98/641022098.db2.gz ORFFDUSFJNEHCC-GASCZTMLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(CC)CC ZINC001018289106 641022103 /nfs/dbraw/zinc/02/21/03/641022103.db2.gz ORFFDUSFJNEHCC-GASCZTMLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[NH+]1CCN(c2ccc3c(Cl)cccc3n2)CC1 ZINC001165031468 721866340 /nfs/dbraw/zinc/86/63/40/721866340.db2.gz KTFFHDSJTHEZQC-UHFFFAOYSA-N 1 1 287.794 3.196 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1cc(C)cc(F)c1 ZINC001155418773 805580690 /nfs/dbraw/zinc/58/06/90/805580690.db2.gz QMSZKDVKFJRADF-CQSZACIVSA-N 1 1 292.398 3.150 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)CNC(=O)CCCCCC(C)C ZINC001155644968 805597939 /nfs/dbraw/zinc/59/79/39/805597939.db2.gz UDLJASBJLKVNMV-MRXNPFEDSA-N 1 1 280.456 3.053 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)CC(C)(C)C ZINC001155638758 805598692 /nfs/dbraw/zinc/59/86/92/805598692.db2.gz JPIHDJYCTIDMKC-HUUCEWRRSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@](C)(CC)CCC ZINC001156035799 805644738 /nfs/dbraw/zinc/64/47/38/805644738.db2.gz HKXPUHNMAOTKKS-GDBMZVCRSA-N 1 1 268.445 3.215 20 30 CGEDMO CNc1ccc(CNc2ccc(CC#N)c(C)[nH+]2)cc1 ZINC001156141874 805659728 /nfs/dbraw/zinc/65/97/28/805659728.db2.gz BWOGUOPGALKZOI-UHFFFAOYSA-N 1 1 266.348 3.110 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1sccc1C1CC1 ZINC001156767269 805731273 /nfs/dbraw/zinc/73/12/73/805731273.db2.gz XKFAOYMOJIWIAT-GFCCVEGCSA-N 1 1 292.448 3.252 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CC(C)C ZINC001157470600 805820013 /nfs/dbraw/zinc/82/00/13/805820013.db2.gz GXZRVHLNUXGYDK-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@@H]1C[N@H+](C)CC[C@H](C)F ZINC001157705834 805855488 /nfs/dbraw/zinc/85/54/88/805855488.db2.gz LLQGXSFRWOYYIG-LSDHHAIUSA-N 1 1 284.419 3.014 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)/C(C)=C/C ZINC001157784942 805869938 /nfs/dbraw/zinc/86/99/38/805869938.db2.gz VCJAARVUASAMAF-IMBBRHANSA-N 1 1 284.831 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)/C(C)=C/C ZINC001157784942 805869947 /nfs/dbraw/zinc/86/99/47/805869947.db2.gz VCJAARVUASAMAF-IMBBRHANSA-N 1 1 284.831 3.018 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)C1=CCCC1 ZINC001157796283 805871756 /nfs/dbraw/zinc/87/17/56/805871756.db2.gz FITMKRFYCKLIAN-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@H](C)CC ZINC001157892939 805900949 /nfs/dbraw/zinc/90/09/49/805900949.db2.gz UJTSBFCJMXQMLG-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO N#Cc1c[nH]c2cc[nH+]c(NC(C3CC3)C3CC3)c12 ZINC001157921285 805903646 /nfs/dbraw/zinc/90/36/46/805903646.db2.gz CKKWWFTVVADWNX-UHFFFAOYSA-N 1 1 252.321 3.035 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C1(F)CCCC1 ZINC001158155501 805924662 /nfs/dbraw/zinc/92/46/62/805924662.db2.gz WREHTILEKYDVIN-OAHLLOKOSA-N 1 1 296.430 3.158 20 30 CGEDMO C=C/C(C)=C/CC(=O)N1CCCC[C@@H]1C[N@H+](C)CC(=C)C ZINC001158350646 805944821 /nfs/dbraw/zinc/94/48/21/805944821.db2.gz VKYIJDYGFCQPEE-BRVCPTFNSA-N 1 1 290.451 3.398 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)CC(=C)C ZINC001158369055 805946680 /nfs/dbraw/zinc/94/66/80/805946680.db2.gz AXTNMNKBHKKLNO-DLBZAZTESA-N 1 1 292.467 3.478 20 30 CGEDMO CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)CC(C)C ZINC001158673793 805982395 /nfs/dbraw/zinc/98/23/95/805982395.db2.gz OKMWPQVDGPUYNK-DLBZAZTESA-N 1 1 292.467 3.005 20 30 CGEDMO Cc1c[nH]c2nc[nH+]c(NC34CCC(C#N)(CC3)CC4)c12 ZINC001158783201 806001575 /nfs/dbraw/zinc/00/15/75/806001575.db2.gz GLVDLHXYJCLMLU-UHFFFAOYSA-N 1 1 281.363 3.295 20 30 CGEDMO N#Cc1c[nH]c2cc[nH+]c(NC34CCC(C#N)(CC3)CC4)c12 ZINC001158785037 806003025 /nfs/dbraw/zinc/00/30/25/806003025.db2.gz BWRFYPUMBSMDKC-UHFFFAOYSA-N 1 1 291.358 3.463 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CC[C@@H](COC)C1 ZINC001252123591 806011871 /nfs/dbraw/zinc/01/18/71/806011871.db2.gz JTBHYTYPBYXLHR-CVEARBPZSA-N 1 1 271.445 3.066 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCOC[C@H](C)C1 ZINC001252125009 806013228 /nfs/dbraw/zinc/01/32/28/806013228.db2.gz VNCJTIWLEGWKEI-HZPDHXFCSA-N 1 1 271.445 3.066 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@H](C(C)=O)C1 ZINC001252130230 806015533 /nfs/dbraw/zinc/01/55/33/806015533.db2.gz NWIJEXJHVKADBA-DLBZAZTESA-N 1 1 283.456 3.399 20 30 CGEDMO CCCCCCCC[C@H](O)C[NH+]1CCC(N2CCC2)CC1 ZINC001252132625 806018327 /nfs/dbraw/zinc/01/83/27/806018327.db2.gz KGZNWXPYTKMPKU-SFHVURJKSA-N 1 1 296.499 3.268 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CC[C@H](N(C)C2CC2)C1 ZINC001252132187 806018887 /nfs/dbraw/zinc/01/88/87/806018887.db2.gz BLCXOTMFZGWDGB-ZWKOTPCHSA-N 1 1 296.499 3.266 20 30 CGEDMO CCCCCCCC[C@@H](O)CN1CC[C@H]([N@H+](C)C2CC2)C1 ZINC001252132187 806018892 /nfs/dbraw/zinc/01/88/92/806018892.db2.gz BLCXOTMFZGWDGB-ZWKOTPCHSA-N 1 1 296.499 3.266 20 30 CGEDMO CCCCCCCC[C@@H](O)CN1CC[C@H]([N@@H+](C)C2CC2)C1 ZINC001252132187 806018900 /nfs/dbraw/zinc/01/89/00/806018900.db2.gz BLCXOTMFZGWDGB-ZWKOTPCHSA-N 1 1 296.499 3.266 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCc2[nH]ccc2C1 ZINC001252132262 806019058 /nfs/dbraw/zinc/01/90/58/806019058.db2.gz DCAJYDZFKIVPQY-INIZCTEOSA-N 1 1 278.440 3.484 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)CC2CC2)CC1 ZINC001159034241 806035185 /nfs/dbraw/zinc/03/51/85/806035185.db2.gz ZJAZCMZCXWLPCC-HNNXBMFYSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)CCC(C)C)CC1 ZINC001159193024 806057035 /nfs/dbraw/zinc/05/70/35/806057035.db2.gz CTCOXRGFBOKVFY-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+]1CC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001252554112 806061908 /nfs/dbraw/zinc/06/19/08/806061908.db2.gz BIXQAXAGTOHSAS-DZGCQCFKSA-N 1 1 299.336 3.432 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](CCC=C)Cc1ccccc1 ZINC001252599763 806081952 /nfs/dbraw/zinc/08/19/52/806081952.db2.gz IJXRVYZQOOAQDN-KRWDZBQOSA-N 1 1 259.393 3.392 20 30 CGEDMO C=CCC[C@@H](O)CNc1ccc([NH+]2CCCCC2)cc1 ZINC001252608016 806086295 /nfs/dbraw/zinc/08/62/95/806086295.db2.gz VWKBNSXQEYWMHM-QGZVFWFLSA-N 1 1 274.408 3.416 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CCNC(=O)C2CC=CC2)CC1 ZINC001159651332 806142758 /nfs/dbraw/zinc/14/27/58/806142758.db2.gz CHQJHUAZPOQYBG-UHFFFAOYSA-N 1 1 288.435 3.057 20 30 CGEDMO C[C@@](O)(C[N@H+](CCC#N)Cc1ccccc1)c1ccccc1 ZINC001253091013 806161711 /nfs/dbraw/zinc/16/17/11/806161711.db2.gz KOTAENYWGQZJOB-LJQANCHMSA-N 1 1 294.398 3.310 20 30 CGEDMO C[C@@](O)(C[N@@H+](CCC#N)Cc1ccccc1)c1ccccc1 ZINC001253091013 806161717 /nfs/dbraw/zinc/16/17/17/806161717.db2.gz KOTAENYWGQZJOB-LJQANCHMSA-N 1 1 294.398 3.310 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CCCC[C@](C)(O)C1 ZINC001253233445 806187261 /nfs/dbraw/zinc/18/72/61/806187261.db2.gz FOPCZEWXHRETJR-IRXDYDNUSA-N 1 1 283.456 3.111 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[NH+]1CC2(C1)CCCCO2 ZINC001253235995 806188194 /nfs/dbraw/zinc/18/81/94/806188194.db2.gz PZIINQPXNWWMHN-MRXNPFEDSA-N 1 1 281.440 3.129 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001253240827 806192199 /nfs/dbraw/zinc/19/21/99/806192199.db2.gz AQIZWONNRCSGAE-HOTGVXAUSA-N 1 1 264.413 3.109 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1C[C@H]2CCCC(=O)[C@@H]2C1 ZINC001253240795 806192295 /nfs/dbraw/zinc/19/22/95/806192295.db2.gz AAEDLCVXYWOYBX-IXDOHACOSA-N 1 1 293.451 3.175 20 30 CGEDMO COc1cc(F)cc(CNc2[nH+]ccc3[nH]cc(C#N)c32)c1 ZINC001160215148 806236696 /nfs/dbraw/zinc/23/66/96/806236696.db2.gz YDYNAGAKYPKLBK-UHFFFAOYSA-N 1 1 296.305 3.194 20 30 CGEDMO C=C[C@@H](O)C[N@H+]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC001253586302 806265517 /nfs/dbraw/zinc/26/55/17/806265517.db2.gz LFPQOQAZSQMDAV-KGLIPLIRSA-N 1 1 285.309 3.389 20 30 CGEDMO C=CC[N@H+](C[C@H](O)COc1ccc(C)cc1)C(C)(C)C ZINC001253830728 806313867 /nfs/dbraw/zinc/31/38/67/806313867.db2.gz PNIMRMUBLLPDNO-HNNXBMFYSA-N 1 1 277.408 3.021 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1cccc(OC(C)(C)C)n1 ZINC001160953934 806328326 /nfs/dbraw/zinc/32/83/26/806328326.db2.gz MCBACALUJJMULH-AWEZNQCLSA-N 1 1 289.423 3.321 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NCCC1=CC[N@@H+](C(C)C)CC1 ZINC001160990952 806333210 /nfs/dbraw/zinc/33/32/10/806333210.db2.gz JDXMTJGMBMAUKC-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[C@@H](C)C2)CC1 ZINC001161390835 806372352 /nfs/dbraw/zinc/37/23/52/806372352.db2.gz LEEPXGMQEWHRIC-NVXWUHKLSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1Cc2ccc(Br)cc2C1 ZINC001254283037 806378441 /nfs/dbraw/zinc/37/84/41/806378441.db2.gz DLHSWWVIXWUZIP-CYBMUJFWSA-N 1 1 266.182 3.034 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)C[C@@H](C)CC(C)C)CC1 ZINC001161688725 806420160 /nfs/dbraw/zinc/42/01/60/806420160.db2.gz QAMZAEQCKHZASQ-INIZCTEOSA-N 1 1 292.467 3.383 20 30 CGEDMO CC(C)[C@@H]([NH2+][C@H]1CCCN(C)CC1)c1cccc(C#N)c1 ZINC001254506859 806427660 /nfs/dbraw/zinc/42/76/60/806427660.db2.gz BRMWHHHJDQCPCC-ZWKOTPCHSA-N 1 1 285.435 3.329 20 30 CGEDMO N#C[C@H]1CC[C@@H]([NH2+]Cc2c(F)ccc(Cl)c2F)C1 ZINC001254635908 806466215 /nfs/dbraw/zinc/46/62/15/806466215.db2.gz GOEJISXAXXYETE-DTWKUNHWSA-N 1 1 270.710 3.400 20 30 CGEDMO CC[N@@H+]([C@@H]1CC[C@@H](C#N)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001254670384 806480888 /nfs/dbraw/zinc/48/08/88/806480888.db2.gz JAVFMNOFQWTBKR-QRVBRYPASA-N 1 1 297.446 3.275 20 30 CGEDMO CCN([C@@H]1CC[C@@H](C#N)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001254670384 806480893 /nfs/dbraw/zinc/48/08/93/806480893.db2.gz JAVFMNOFQWTBKR-QRVBRYPASA-N 1 1 297.446 3.275 20 30 CGEDMO CCN([C@@H]1CC[C@@H](C#N)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001254670384 806480897 /nfs/dbraw/zinc/48/08/97/806480897.db2.gz JAVFMNOFQWTBKR-QRVBRYPASA-N 1 1 297.446 3.275 20 30 CGEDMO CC[N@@H+](Cc1cccc(OC)c1)[C@H]1CC[C@@H](C#N)C1 ZINC001254670768 806481309 /nfs/dbraw/zinc/48/13/09/806481309.db2.gz MIXMENUWYQJPOC-HIFRSBDPSA-N 1 1 258.365 3.209 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](OCc3ccccc3)C2)C1 ZINC001254670929 806481470 /nfs/dbraw/zinc/48/14/70/806481470.db2.gz NISRWIUWCVKBBM-FGTMMUONSA-N 1 1 284.403 3.360 20 30 CGEDMO COc1cccc(CCC[N@@H+](C)[C@@H]2CC[C@H](C#N)C2)c1 ZINC001254673792 806483406 /nfs/dbraw/zinc/48/34/06/806483406.db2.gz PIDIFBKYFKCABE-JKSUJKDBSA-N 1 1 272.392 3.252 20 30 CGEDMO CC[C@H]1CN(Cc2ccccc2)CC[N@H+]1[C@@H]1CC[C@@H](C#N)C1 ZINC001254674641 806483455 /nfs/dbraw/zinc/48/34/55/806483455.db2.gz BEPAQQIZMXFDOI-CEXWTWQISA-N 1 1 297.446 3.275 20 30 CGEDMO CC[C@H]1C[N@H+](Cc2ccccc2)CCN1[C@@H]1CC[C@@H](C#N)C1 ZINC001254674641 806483460 /nfs/dbraw/zinc/48/34/60/806483460.db2.gz BEPAQQIZMXFDOI-CEXWTWQISA-N 1 1 297.446 3.275 20 30 CGEDMO CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1[C@@H]1CC[C@@H](C#N)C1 ZINC001254674641 806483463 /nfs/dbraw/zinc/48/34/63/806483463.db2.gz BEPAQQIZMXFDOI-CEXWTWQISA-N 1 1 297.446 3.275 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@@H]1CC2CCN(CC2)C1 ZINC001254862940 806503093 /nfs/dbraw/zinc/50/30/93/806503093.db2.gz VTLMQSGOTCHRDW-MRXNPFEDSA-N 1 1 252.446 3.373 20 30 CGEDMO N#CC1(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCCCC1 ZINC001255099586 806543792 /nfs/dbraw/zinc/54/37/92/806543792.db2.gz JKVKKMGYYJJLPM-SFHVURJKSA-N 1 1 297.446 3.467 20 30 CGEDMO CC[C@H](CC#N)[NH2+][C@H](c1ccnc(Cl)c1)C1CC1 ZINC001255156173 806556555 /nfs/dbraw/zinc/55/65/55/806556555.db2.gz FVBBEFVMVHQOAP-OCCSQVGLSA-N 1 1 263.772 3.468 20 30 CGEDMO CC[C@@H](CC#N)[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2OCC1CC1 ZINC001255169799 806564491 /nfs/dbraw/zinc/56/44/91/806564491.db2.gz KKYZJAKQFFECPJ-QZWWFDLISA-N 1 1 276.424 3.206 20 30 CGEDMO C#CC[N@@H+]([C@H](CC)CC#N)[C@@H]1CCc2ccccc21 ZINC001255174601 806569373 /nfs/dbraw/zinc/56/93/73/806569373.db2.gz YXWSBOLXCXEUMK-NVXWUHKLSA-N 1 1 252.361 3.301 20 30 CGEDMO C#CC[N@H+]([C@H](CC)CC#N)[C@@H]1CCc2ccccc21 ZINC001255174601 806569377 /nfs/dbraw/zinc/56/93/77/806569377.db2.gz YXWSBOLXCXEUMK-NVXWUHKLSA-N 1 1 252.361 3.301 20 30 CGEDMO CCOC(=O)C1CCC([N@@H+](CCC#N)C2CCCC2)CC1 ZINC001255262160 806585048 /nfs/dbraw/zinc/58/50/48/806585048.db2.gz VMEDGZIHJZOYCN-UHFFFAOYSA-N 1 1 292.423 3.267 20 30 CGEDMO O=C1C=C(N[C@H]2CCC[N@@H+](Cc3ccccc3)CC2)CCC1 ZINC001255382645 806629870 /nfs/dbraw/zinc/62/98/70/806629870.db2.gz DZDUYCBMEKWBKU-KRWDZBQOSA-N 1 1 298.430 3.268 20 30 CGEDMO CC[C@](C)(C#N)N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255393792 806633428 /nfs/dbraw/zinc/63/34/28/806633428.db2.gz RAKWJJWDWRAJSZ-ZWKOTPCHSA-N 1 1 285.435 3.323 20 30 CGEDMO CC[C@@H]1CCC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000037913792 798879053 /nfs/dbraw/zinc/87/90/53/798879053.db2.gz LRXHRVKMJABWJU-OAHLLOKOSA-N 1 1 258.365 3.202 20 30 CGEDMO CC[C@@H](C[NH2+]C1CC(C#N)(c2ccccc2)C1)N1CCCC1 ZINC000125825510 799004077 /nfs/dbraw/zinc/00/40/77/799004077.db2.gz PNMQOIBDXBAAFI-XBMUEBEBSA-N 1 1 297.446 3.074 20 30 CGEDMO Cc1[nH+]c(NC2(c3ccc(N)cc3)CC2)ccc1CC#N ZINC001163200506 806720169 /nfs/dbraw/zinc/72/01/69/806720169.db2.gz BWXNUJMMZXZHDO-UHFFFAOYSA-N 1 1 278.359 3.140 20 30 CGEDMO CO[C@H](C[N@H+](CCC#N)CC(C)C)c1ccccc1 ZINC000380868076 799367364 /nfs/dbraw/zinc/36/73/64/799367364.db2.gz GSIQBIYGXVPVAL-MRXNPFEDSA-N 1 1 260.381 3.246 20 30 CGEDMO CO[C@H](C[N@@H+](CCC#N)CC(C)C)c1ccccc1 ZINC000380868076 799367367 /nfs/dbraw/zinc/36/73/67/799367367.db2.gz GSIQBIYGXVPVAL-MRXNPFEDSA-N 1 1 260.381 3.246 20 30 CGEDMO C#CC[NH+](CC#C)[C@@H](C)CSc1ccc(C)cc1 ZINC001255771417 806743252 /nfs/dbraw/zinc/74/32/52/806743252.db2.gz RYHSXKRLLQGEQC-HNNXBMFYSA-N 1 1 257.402 3.044 20 30 CGEDMO N#Cc1ccc(OCCC[N@H+]2CC[C@H](C3CC3)C2)cc1 ZINC000400091422 799544120 /nfs/dbraw/zinc/54/41/20/799544120.db2.gz UPHWVFNNRVBASB-INIZCTEOSA-N 1 1 270.376 3.059 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)c(F)c1)CC1CC(F)(F)C1 ZINC000404078313 799573685 /nfs/dbraw/zinc/57/36/85/799573685.db2.gz OEFZBMGNCFSFIT-UHFFFAOYSA-N 1 1 268.282 3.174 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC(C)(C)C#N ZINC000405149132 799581661 /nfs/dbraw/zinc/58/16/61/799581661.db2.gz FRCCMQVGANSZLD-NVXWUHKLSA-N 1 1 285.435 3.036 20 30 CGEDMO Cc1nc(C)c([C@H](C)[NH2+]CC2(C#N)CCCC2)s1 ZINC000405157513 799581699 /nfs/dbraw/zinc/58/16/99/799581699.db2.gz LNPIBQFDLBOCLQ-JTQLQIEISA-N 1 1 263.410 3.495 20 30 CGEDMO C[C@@H](Cc1ccc(F)cc1)[N@H+]1CCC[C@H](C#N)CC1 ZINC001255875652 806778572 /nfs/dbraw/zinc/77/85/72/806778572.db2.gz MSYNPBLVIZXHPN-ZFWWWQNUSA-N 1 1 260.356 3.382 20 30 CGEDMO C[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000708706550 799991828 /nfs/dbraw/zinc/99/18/28/799991828.db2.gz OEBOHHWJLVMNOM-ZDUSSCGKSA-N 1 1 286.272 3.472 20 30 CGEDMO C[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000708706550 799991836 /nfs/dbraw/zinc/99/18/36/799991836.db2.gz OEBOHHWJLVMNOM-ZDUSSCGKSA-N 1 1 286.272 3.472 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@H]1CCC2(CCC2)O1 ZINC000712387142 800086512 /nfs/dbraw/zinc/08/65/12/800086512.db2.gz KWYDWPNXJHLSIY-MRXNPFEDSA-N 1 1 270.376 3.092 20 30 CGEDMO CSCC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000719315104 800236972 /nfs/dbraw/zinc/23/69/72/800236972.db2.gz HEELAHNKAQZHQA-UHFFFAOYSA-N 1 1 278.396 3.272 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)Cc2cc(OC)cc(OC)c2)cc1 ZINC000809547994 800444944 /nfs/dbraw/zinc/44/49/44/800444944.db2.gz YKKKLIJLQDIUMI-UHFFFAOYSA-N 1 1 295.382 3.317 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886829501 800546500 /nfs/dbraw/zinc/54/65/00/800546500.db2.gz BKEJWQNDOMCTGE-FUHWJXTLSA-N 1 1 298.430 3.489 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C=C2CCC2)[C@H]1C ZINC000993181958 800694938 /nfs/dbraw/zinc/69/49/38/800694938.db2.gz DAWOHDNQNAPACQ-ZBFHGGJFSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](CNC(=O)c2sccc2Cl)C1 ZINC001023385249 800709843 /nfs/dbraw/zinc/70/98/43/800709843.db2.gz UFUVONQCLVASGI-NSHDSACASA-N 1 1 298.839 3.029 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001023575720 800713619 /nfs/dbraw/zinc/71/36/19/800713619.db2.gz ZLEHYEXGNHROJW-CVEARBPZSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C)s1 ZINC001024294092 800722510 /nfs/dbraw/zinc/72/25/10/800722510.db2.gz BENBNXBGRXOUCN-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC2(CC2)C1 ZINC001024438572 800728041 /nfs/dbraw/zinc/72/80/41/800728041.db2.gz RIBSLBVGEASVBP-JKSUJKDBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(C)c1C ZINC001024786214 800736952 /nfs/dbraw/zinc/73/69/52/800736952.db2.gz BIDJJXDYHBCYEJ-INIZCTEOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC(C)(C)C1 ZINC001024818937 800737659 /nfs/dbraw/zinc/73/76/59/800737659.db2.gz IHWCGASVOGFPHI-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1CCC1 ZINC001025188023 800745534 /nfs/dbraw/zinc/74/55/34/800745534.db2.gz GSHKGXLZLHRWME-IRXDYDNUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(C)(C)F ZINC001025189920 800746469 /nfs/dbraw/zinc/74/64/69/800746469.db2.gz SXUSBDMABMLTGO-GJZGRUSLSA-N 1 1 296.430 3.156 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C1CCCC1 ZINC001025193104 800746902 /nfs/dbraw/zinc/74/69/02/800746902.db2.gz RVOWRZABDXVXSD-SJORKVTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC1(C)CC1 ZINC001025250754 800751611 /nfs/dbraw/zinc/75/16/11/800751611.db2.gz DWTRWDPJXUFUSK-HZPDHXFCSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)C ZINC001025289873 800753836 /nfs/dbraw/zinc/75/38/36/800753836.db2.gz UOKVSTVATQSMHW-LSDHHAIUSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)C ZINC001025289872 800754020 /nfs/dbraw/zinc/75/40/20/800754020.db2.gz UOKVSTVATQSMHW-HUUCEWRRSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001025603969 800763710 /nfs/dbraw/zinc/76/37/10/800763710.db2.gz ZTRPHIYPAZHEIB-QAETUUGQSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001027425275 800796201 /nfs/dbraw/zinc/79/62/01/800796201.db2.gz HFGOGTHCPYPXPX-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(CC)s2)C1 ZINC001027481833 800798346 /nfs/dbraw/zinc/79/83/46/800798346.db2.gz QQCVVRCJYJMRRG-CYBMUJFWSA-N 1 1 292.448 3.033 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)C(=C)C)C1 ZINC001027519331 800799461 /nfs/dbraw/zinc/79/94/61/800799461.db2.gz KHPRJEKJSDBHCV-HNNXBMFYSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]([N@@H+](C)CC(C)C)C1 ZINC001027560127 800804369 /nfs/dbraw/zinc/80/43/69/800804369.db2.gz QPOUXSBTOLRVGH-NVXWUHKLSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001027584873 800804568 /nfs/dbraw/zinc/80/45/68/800804568.db2.gz VBFXUACSXJBUHB-IXDOHACOSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(Cl)c1C ZINC001027898841 800825713 /nfs/dbraw/zinc/82/57/13/800825713.db2.gz PRSONBJSCAPZOB-CYBMUJFWSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1sc(C)cc1C ZINC001027908980 800826890 /nfs/dbraw/zinc/82/68/90/800826890.db2.gz GJGPKTAWOPZFHI-AWEZNQCLSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C(F)F)cc1 ZINC001028202802 800836517 /nfs/dbraw/zinc/83/65/17/800836517.db2.gz IFUKOSLZHCYWJK-CQSZACIVSA-N 1 1 294.345 3.004 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001028625248 800850551 /nfs/dbraw/zinc/85/05/51/800850551.db2.gz OUUFDRWAOPNJKX-DLBZAZTESA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](CNC(=O)c2cscc2Cl)C1 ZINC001028614825 800851018 /nfs/dbraw/zinc/85/10/18/800851018.db2.gz CQDLOEKODZTXPZ-LLVKDONJSA-N 1 1 298.839 3.029 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC ZINC001029323252 800867199 /nfs/dbraw/zinc/86/71/99/800867199.db2.gz VLVFDKZQKQJYFA-OKILXGFUSA-N 1 1 298.858 3.240 20 30 CGEDMO Cc1[nH+]c(N2CCCC(F)(F)CC2)ccc1CC#N ZINC001163981669 806869731 /nfs/dbraw/zinc/86/97/31/806869731.db2.gz CYBGXXYOJXZDIG-UHFFFAOYSA-N 1 1 265.307 3.082 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)C2(C)CCCCCC2)C1 ZINC001033150125 800954133 /nfs/dbraw/zinc/95/41/33/800954133.db2.gz AQZNPLQLCLGVKK-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)C2(C)CCCCCC2)C1 ZINC001033152344 800954141 /nfs/dbraw/zinc/95/41/41/800954141.db2.gz QPJVULVSXZINLW-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC=CCCC2)C1 ZINC001033181219 800954787 /nfs/dbraw/zinc/95/47/87/800954787.db2.gz GVRLFNFVIYKGFL-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2C=CCCC2)C1 ZINC001033181265 800955267 /nfs/dbraw/zinc/95/52/67/800955267.db2.gz HAUHRZQBZBOQBS-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(CC)s2)C1 ZINC001033237557 800956421 /nfs/dbraw/zinc/95/64/21/800956421.db2.gz JVHUEOBORQCFQW-ZDUSSCGKSA-N 1 1 292.448 3.033 20 30 CGEDMO C=C1CCC(C(=O)N(C)[C@H]2CC[N@H+](C[C@H](C)CC)C2)CC1 ZINC001033389685 800962958 /nfs/dbraw/zinc/96/29/58/800962958.db2.gz SVHOAVKBKJOWRW-PBHICJAKSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)cc2C)C1 ZINC001033635102 800970836 /nfs/dbraw/zinc/97/08/36/800970836.db2.gz DWSVBKKCZJILSG-MRXNPFEDSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001033693083 800974448 /nfs/dbraw/zinc/97/44/48/800974448.db2.gz OPPXOWATPKKMSO-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)C2CCCCC2)C1 ZINC001033736201 800980922 /nfs/dbraw/zinc/98/09/22/800980922.db2.gz JMKRWFCIQHCVJR-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001033835528 800985911 /nfs/dbraw/zinc/98/59/11/800985911.db2.gz ZCRARIRJKXJSJQ-HRCADAONSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCC23CC3)C1 ZINC001033873507 800987337 /nfs/dbraw/zinc/98/73/37/800987337.db2.gz PKZXWAGGJKKYOA-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2occc2Cl)C1 ZINC001033945328 800991600 /nfs/dbraw/zinc/99/16/00/800991600.db2.gz LSMCPRHHLLLQCV-GFCCVEGCSA-N 1 1 296.798 3.046 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2csc(Cl)c2)C1 ZINC001033979091 800992759 /nfs/dbraw/zinc/99/27/59/800992759.db2.gz DFVKJACXAJUIDN-GFCCVEGCSA-N 1 1 298.839 3.124 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)CC2CCCC2)C1 ZINC001034094171 801003876 /nfs/dbraw/zinc/00/38/76/801003876.db2.gz ZDBUKIRWUVQNOF-HNNXBMFYSA-N 1 1 298.858 3.290 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)CC2CCCC2)C1 ZINC001034094171 801003881 /nfs/dbraw/zinc/00/38/81/801003881.db2.gz ZDBUKIRWUVQNOF-HNNXBMFYSA-N 1 1 298.858 3.290 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2ccoc2Cl)C1 ZINC001034186437 801009316 /nfs/dbraw/zinc/00/93/16/801009316.db2.gz JLGCHJGLQMRHRM-LBPRGKRZSA-N 1 1 296.798 3.093 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001034331039 801016964 /nfs/dbraw/zinc/01/69/64/801016964.db2.gz POBVPPLJKHQILG-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001034354564 801019375 /nfs/dbraw/zinc/01/93/75/801019375.db2.gz MUCWIRQZFUTBNU-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC2(C)C)C1 ZINC001034350745 801019838 /nfs/dbraw/zinc/01/98/38/801019838.db2.gz JTRICSWJBKKMEY-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC001034359748 801022160 /nfs/dbraw/zinc/02/21/60/801022160.db2.gz AXYXAQXNXWTSKL-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@@H+](C/C=C\Cl)C2)C1 ZINC001034390373 801024435 /nfs/dbraw/zinc/02/44/35/801024435.db2.gz ZFABKISABUOAIJ-VSKVDJIOSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2cc(C)c(C)s2)C1 ZINC001034523884 801031290 /nfs/dbraw/zinc/03/12/90/801031290.db2.gz QCTSLPXPGDXSDN-AWEZNQCLSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001034560650 801033673 /nfs/dbraw/zinc/03/36/73/801033673.db2.gz XDDYMGSXILVUKX-CQSZACIVSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)CC(C)(C)C)CC2 ZINC001035155831 801051751 /nfs/dbraw/zinc/05/17/51/801051751.db2.gz JYCGDXPZAZURAS-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)/C(C)=C/C)CC2 ZINC001035173342 801053816 /nfs/dbraw/zinc/05/38/16/801053816.db2.gz YFCRVLXOAYFSHD-FZSIALSZSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)CC1(C)CC1)CC2 ZINC001035207120 801056089 /nfs/dbraw/zinc/05/60/89/801056089.db2.gz UCYOLMAFFNQFEE-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(C)c3)CC[C@H]21 ZINC001036630836 801084392 /nfs/dbraw/zinc/08/43/92/801084392.db2.gz MUXZTBOQBQXHBW-QZTJIDSGSA-N 1 1 298.430 3.108 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCC(=C)C)C1 ZINC001036788822 801089522 /nfs/dbraw/zinc/08/95/22/801089522.db2.gz HVHSTFUCBOUVQB-JKSUJKDBSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2CN(C(=O)c3cc(C)ccc3C)CC[C@H]21 ZINC001036878904 801092558 /nfs/dbraw/zinc/09/25/58/801092558.db2.gz DFJDZYYFWSIOND-FUHWJXTLSA-N 1 1 298.430 3.026 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(CC)CC)CC[C@@H]21 ZINC001036901640 801093974 /nfs/dbraw/zinc/09/39/74/801093974.db2.gz XAGGEBLUGLDHFX-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1scc(C)c1Cl ZINC001038284210 801122902 /nfs/dbraw/zinc/12/29/02/801122902.db2.gz MWPQFJCJECVHFN-NSHDSACASA-N 1 1 298.839 3.090 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(Cl)cs1 ZINC001038776762 801134522 /nfs/dbraw/zinc/13/45/22/801134522.db2.gz PNTFOVHVYHAHPT-GFCCVEGCSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C(C)C)cc1 ZINC001038952986 801137423 /nfs/dbraw/zinc/13/74/23/801137423.db2.gz PUJBAVUJRLUUPL-KRWDZBQOSA-N 1 1 286.419 3.190 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(CC)cc1 ZINC001038972317 801140216 /nfs/dbraw/zinc/14/02/16/801140216.db2.gz IPQBNOCOFRQCTD-KRWDZBQOSA-N 1 1 286.419 3.019 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]1CNC(=O)c1cccc2ccccc21 ZINC001038991183 801140778 /nfs/dbraw/zinc/14/07/78/801140778.db2.gz YPDCQCKCZSPZFO-INIZCTEOSA-N 1 1 294.398 3.220 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(C)c1C ZINC001038980126 801140962 /nfs/dbraw/zinc/14/09/62/801140962.db2.gz VAMAHZNNBGTFRB-INIZCTEOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](C)CC)CC2)C1 ZINC001039105601 801148083 /nfs/dbraw/zinc/14/80/83/801148083.db2.gz XSXNNFKQCDXWTJ-NVXWUHKLSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC001039189538 801151939 /nfs/dbraw/zinc/15/19/39/801151939.db2.gz UODVRQCNNHUUQY-MRXNPFEDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)cc1 ZINC001039463415 801162357 /nfs/dbraw/zinc/16/23/57/801162357.db2.gz OIZKAQAKXDYWDB-MSOLQXFVSA-N 1 1 298.430 3.250 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@]2(C1)CCC[N@H+](CC(C)C)C2 ZINC001040330671 801175529 /nfs/dbraw/zinc/17/55/29/801175529.db2.gz DILHPIQJKOOFKT-GOSISDBHSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)CC3CCC3)C2)C1 ZINC001041170714 801186351 /nfs/dbraw/zinc/18/63/51/801186351.db2.gz RRRZDVHLOHGDCD-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@](C)(C=C)CC)C2)C1 ZINC001041637821 801192032 /nfs/dbraw/zinc/19/20/32/801192032.db2.gz GGUHUWRZWYJQLJ-ROUUACIJSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC[C@]3(CC[N@H+](CCCC)C3)C2)C1 ZINC001041655997 801193159 /nfs/dbraw/zinc/19/31/59/801193159.db2.gz JAZUXIRPLUYNPY-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(C)cc3)C2)C1 ZINC001041802610 801194467 /nfs/dbraw/zinc/19/44/67/801194467.db2.gz UDLOTECZLVZYTJ-LJQANCHMSA-N 1 1 298.430 3.109 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)CCC3CCC3)C[C@H]21 ZINC001042008736 801200803 /nfs/dbraw/zinc/20/08/03/801200803.db2.gz XOLQYOTXMRLLRZ-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C1CCC(C(=O)N2CC[C@H]3CC[N@H+](CCC)[C@H]3C2)CC1 ZINC001042217234 801202957 /nfs/dbraw/zinc/20/29/57/801202957.db2.gz WDPQZRJZQYYRJZ-WBVHZDCISA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(CC)CC)C[C@H]21 ZINC001042364902 801204974 /nfs/dbraw/zinc/20/49/74/801204974.db2.gz GNMYQKXLXBFLIP-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)c2cccs2)CC1 ZINC001045348792 801271738 /nfs/dbraw/zinc/27/17/38/801271738.db2.gz AADJGENPMIPBBS-UHFFFAOYSA-N 1 1 298.839 3.085 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)C)C2 ZINC001045981772 801297949 /nfs/dbraw/zinc/29/79/49/801297949.db2.gz ZVBWRDIPOHTCLP-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001046338771 801310173 /nfs/dbraw/zinc/31/01/73/801310173.db2.gz BOGCHPYFYOLZSW-FUHWJXTLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(CC)o2)C1 ZINC001046423766 801310994 /nfs/dbraw/zinc/31/09/94/801310994.db2.gz QWXQVXMBJBXFDF-KRWDZBQOSA-N 1 1 290.407 3.002 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(CC)s2)C1 ZINC001046454005 801311466 /nfs/dbraw/zinc/31/14/66/801311466.db2.gz CVQOKWIARZEMNA-MRXNPFEDSA-N 1 1 292.448 3.081 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)c2csc(Cl)c2)C1 ZINC001046674640 801320721 /nfs/dbraw/zinc/32/07/21/801320721.db2.gz YLZTWVODEQVRBI-CQSZACIVSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(CC)cc2)C1 ZINC001046810575 801325970 /nfs/dbraw/zinc/32/59/70/801325970.db2.gz DTCVFGLMYJHQIY-GOSISDBHSA-N 1 1 286.419 3.019 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC1CCCC1 ZINC001049304582 801362648 /nfs/dbraw/zinc/36/26/48/801362648.db2.gz QCBRZDKTZNDSTP-IAGOWNOFSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccs1 ZINC001049300590 801362884 /nfs/dbraw/zinc/36/28/84/801362884.db2.gz COMVUOOXHSZXND-ZIAGYGMSSA-N 1 1 290.432 3.003 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(C)c1 ZINC001049310694 801365061 /nfs/dbraw/zinc/36/50/61/801365061.db2.gz FYABSSWWNJCENB-QZTJIDSGSA-N 1 1 298.430 3.250 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC(C)(C)C ZINC001049326080 801365094 /nfs/dbraw/zinc/36/50/94/801365094.db2.gz JMMVYUWPOPSOEA-CABCVRRESA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC(C)(C)C ZINC001049326086 801365572 /nfs/dbraw/zinc/36/55/72/801365572.db2.gz JMMVYUWPOPSOEA-HUUCEWRRSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC1CCC1 ZINC001049396408 801369173 /nfs/dbraw/zinc/36/91/73/801369173.db2.gz KYJCLDMTFKRWCE-DLBZAZTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC ZINC001049500160 801376504 /nfs/dbraw/zinc/37/65/04/801376504.db2.gz CRYVKAGFMGFDRR-UONOGXRCSA-N 1 1 298.858 3.240 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCC1CC1 ZINC001049648590 801382361 /nfs/dbraw/zinc/38/23/61/801382361.db2.gz WWXNRWNIEOGHIS-JKSUJKDBSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC(=C)C ZINC001049693667 801383547 /nfs/dbraw/zinc/38/35/47/801383547.db2.gz ODNCQGHDWYLXOR-XYJFISCASA-N 1 1 290.451 3.230 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC(=C)C ZINC001049693664 801384607 /nfs/dbraw/zinc/38/46/07/801384607.db2.gz ODNCQGHDWYLXOR-JFIYKMOQSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)CC ZINC001049681674 801384637 /nfs/dbraw/zinc/38/46/37/801384637.db2.gz QFXPKAQLHMXPPP-CABCVRRESA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)(CC)CC ZINC001049904976 801394021 /nfs/dbraw/zinc/39/40/21/801394021.db2.gz UVGZVTGJCADJJE-HUUCEWRRSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C)o2)CC1 ZINC001052183560 801424516 /nfs/dbraw/zinc/42/45/16/801424516.db2.gz FCMTYSMIBIYKLE-HNNXBMFYSA-N 1 1 290.407 3.139 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C(C)=C2CCCC2)CC1 ZINC001052296221 801428703 /nfs/dbraw/zinc/42/87/03/801428703.db2.gz AVQIYNXHADZIOX-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)C2=CCCCCC2)CC1 ZINC001052332903 801430575 /nfs/dbraw/zinc/43/05/75/801430575.db2.gz CQEWXNAPZWZMBM-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC=CCCC2)CC1 ZINC001052485691 801437122 /nfs/dbraw/zinc/43/71/22/801437122.db2.gz BVURXGMABMDFSL-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)C2CCC(=C)CC2)CC1 ZINC001052675740 801445570 /nfs/dbraw/zinc/44/55/70/801445570.db2.gz APBVCUAMSXIUMM-QGZVFWFLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](CC=C(C)C)CC2)C1 ZINC001052693243 801446832 /nfs/dbraw/zinc/44/68/32/801446832.db2.gz QAJNZPQGBZAAFO-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](CCCC)CC2)C1 ZINC001052693467 801447031 /nfs/dbraw/zinc/44/70/31/801447031.db2.gz UAZWRHNLMHDETD-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](C[C@@H](F)CC)CC2)C1 ZINC001052693687 801448938 /nfs/dbraw/zinc/44/89/38/801448938.db2.gz XFMDZQYQFRSOJS-LSDHHAIUSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2Cl)CC1 ZINC001052887382 801455395 /nfs/dbraw/zinc/45/53/95/801455395.db2.gz YWQGCUVQDOINCF-ZDUSSCGKSA-N 1 1 292.810 3.110 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CC)C2)C1 ZINC001052994426 801459419 /nfs/dbraw/zinc/45/94/19/801459419.db2.gz NCXHSCNATLQLIR-GJZGRUSLSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC)C2)C1 ZINC001052996589 801460107 /nfs/dbraw/zinc/46/01/07/801460107.db2.gz KHKYSXYPLUPQSF-DLBZAZTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)CC)C2 ZINC001054186446 801477591 /nfs/dbraw/zinc/47/75/91/801477591.db2.gz SIXCUCKQGSPAIU-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@]2(CC[N@H+](CCCC)C2)C1 ZINC001054175154 801477658 /nfs/dbraw/zinc/47/76/58/801477658.db2.gz ITHUKHWZZKGDOO-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@](C)(C=C)CC)C2 ZINC001054192037 801477868 /nfs/dbraw/zinc/47/78/68/801477868.db2.gz PXNKKDJGZRNCTN-ZWKOTPCHSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)C)C2 ZINC001054231166 801479024 /nfs/dbraw/zinc/47/90/24/801479024.db2.gz MNTLFJXXRLAKDX-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@H+]1Cc2ccc(CNC(=O)C3CC=CC3)cc2C1 ZINC001054259696 801481281 /nfs/dbraw/zinc/48/12/81/801481281.db2.gz NJSMEYMMLGVWKC-UHFFFAOYSA-N 1 1 296.414 3.161 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2ccccc2)CC[C@@H]1C ZINC001071317671 801525663 /nfs/dbraw/zinc/52/56/63/801525663.db2.gz XDDXAQNRNQHDHC-DOTOQJQBSA-N 1 1 286.419 3.236 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2ccc(Cl)o2)CC[C@H]1C ZINC001071351893 801531419 /nfs/dbraw/zinc/53/14/19/801531419.db2.gz JRCNUVDXDCDXHO-VXGBXAGGSA-N 1 1 296.798 3.092 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)C(C)=C2CCCC2)CC[C@@H]1C ZINC001071420982 801536738 /nfs/dbraw/zinc/53/67/38/801536738.db2.gz WIDHWXVEUUMBCH-XJKSGUPXSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2sccc2F)CC[C@H]1C ZINC001071491150 801541392 /nfs/dbraw/zinc/54/13/92/801541392.db2.gz XHRBQOSPJIECGB-VXGBXAGGSA-N 1 1 296.411 3.046 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2sc(C)cc2C)CC[C@H]1C ZINC001071536666 801543873 /nfs/dbraw/zinc/54/38/73/801543873.db2.gz LSSBGVWIBJLJRQ-TZMCWYRMSA-N 1 1 292.448 3.134 20 30 CGEDMO C#CC[N@H+]1C[C@@H](NC(=O)c2ccccc2C(C)C)CC[C@H]1C ZINC001071550063 801544065 /nfs/dbraw/zinc/54/40/65/801544065.db2.gz XJUDBJNKZASTDA-CVEARBPZSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C2(C3CC3)CCC2)CC[C@@H]1C ZINC001071709017 801546750 /nfs/dbraw/zinc/54/67/50/801546750.db2.gz PMZGXWJIIIYIFF-HOCLYGCPSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2ccccc2CC)CC[C@H]1C ZINC001071768742 801549559 /nfs/dbraw/zinc/54/95/59/801549559.db2.gz BLYWPRWDQJAZNY-ZBFHGGJFSA-N 1 1 286.419 3.018 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CC2CC(C)(C)C2)CC[C@H]1C ZINC001071761894 801549800 /nfs/dbraw/zinc/54/98/00/801549800.db2.gz FEMXVTWVIADLON-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C2CCC(=C)CC2)CC[C@H]1C ZINC001071795588 801552486 /nfs/dbraw/zinc/55/24/86/801552486.db2.gz LTJKVPVYWXFEAT-NVXWUHKLSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC=C(C)C)C2)C1 ZINC001071804162 801554982 /nfs/dbraw/zinc/55/49/82/801554982.db2.gz XQZHKEXNUCJCFG-JKSUJKDBSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2csc(C)c2)CC[C@H]1C ZINC001071895875 801556647 /nfs/dbraw/zinc/55/66/47/801556647.db2.gz BZKWFDLWWRHLPG-DOMZBBRYSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(C)cc2)CC[C@@H]1C ZINC001072013305 801561738 /nfs/dbraw/zinc/56/17/38/801561738.db2.gz XMPIXASPNMMXKN-RDJZCZTQSA-N 1 1 286.419 3.154 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C2CCC=CCC2)CC[C@@H]1C ZINC001072079684 801563275 /nfs/dbraw/zinc/56/32/75/801563275.db2.gz QWZXORPHULDTLV-RDJZCZTQSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2coc3ccccc23)CC[C@@H]1C ZINC001072119823 801565564 /nfs/dbraw/zinc/56/55/64/801565564.db2.gz KKGDIKGVKFEDJZ-KBPBESRZSA-N 1 1 298.386 3.202 20 30 CGEDMO C=C1CCC(C(=O)N2CCCC[C@@H]2C[N@H+](C)C(C)C)CC1 ZINC001074060461 801585089 /nfs/dbraw/zinc/58/50/89/801585089.db2.gz QPSPOSCFLWGTLJ-QGZVFWFLSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C(C)C)cc3)[C@@H]2C1 ZINC001076492208 801619579 /nfs/dbraw/zinc/61/95/79/801619579.db2.gz COMYNKZYYSIJPE-ZWKOTPCHSA-N 1 1 298.430 3.142 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001080286841 801651809 /nfs/dbraw/zinc/65/18/09/801651809.db2.gz YMPUYOIZOOCYEA-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CC3(C)CCCCC3)[C@@H]2C1 ZINC001084508041 801668586 /nfs/dbraw/zinc/66/85/86/801668586.db2.gz TWRFNJXZTJZPKV-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C(CC)(CC)CC)[C@@H]2C1 ZINC001084743683 801670013 /nfs/dbraw/zinc/67/00/13/801670013.db2.gz YDWWBZOETSVSEX-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C)c(C)c3)[C@@H]2C1 ZINC001084809277 801671496 /nfs/dbraw/zinc/67/14/96/801671496.db2.gz GTTGFRLHTXLTSZ-QZTJIDSGSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C12CCC(CC1)C2 ZINC001085675750 801697503 /nfs/dbraw/zinc/69/75/03/801697503.db2.gz ZFUVJLCHIKISII-PQUAAJSLSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001085612657 801698272 /nfs/dbraw/zinc/69/82/72/801698272.db2.gz WWFMXPQFJUDKEC-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1cscc1Cl ZINC001085658643 801699191 /nfs/dbraw/zinc/69/91/91/801699191.db2.gz XGEMTEOXQFABNQ-NSHDSACASA-N 1 1 298.839 3.124 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1cscc1Cl ZINC001085658643 801699196 /nfs/dbraw/zinc/69/91/96/801699196.db2.gz XGEMTEOXQFABNQ-NSHDSACASA-N 1 1 298.839 3.124 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C)cc1C ZINC001085953929 801714962 /nfs/dbraw/zinc/71/49/62/801714962.db2.gz NGHWXYGHBSUAIL-MRXNPFEDSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC2(C)C)[C@H]1CC ZINC001087693565 801761605 /nfs/dbraw/zinc/76/16/05/801761605.db2.gz NWLFONOEMSOZKY-MELADBBJSA-N 1 1 298.858 3.144 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC2(C)C)[C@H]1CC ZINC001087693565 801761606 /nfs/dbraw/zinc/76/16/06/801761606.db2.gz NWLFONOEMSOZKY-MELADBBJSA-N 1 1 298.858 3.144 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)[C@H]1CC ZINC001087732695 801765847 /nfs/dbraw/zinc/76/58/47/801765847.db2.gz JVPOKNIDQFCJRO-WCXIOVBPSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C=C)cc2)[C@H]1CC ZINC001087736461 801766458 /nfs/dbraw/zinc/76/64/58/801766458.db2.gz RWSJREQLVZYCNM-ZWKOTPCHSA-N 1 1 298.430 3.488 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2)[C@H]1CC ZINC001087805004 801768252 /nfs/dbraw/zinc/76/82/52/801768252.db2.gz IXAGUFLAFFTPNL-LSDHHAIUSA-N 1 1 292.810 3.109 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cc3ccccc3o2)[C@H]1CC ZINC001087818975 801768755 /nfs/dbraw/zinc/76/87/55/801768755.db2.gz XPMPSXZRYKJLQG-LSDHHAIUSA-N 1 1 298.386 3.202 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C(C)C)C[C@@H]2C1 ZINC001088127031 801774127 /nfs/dbraw/zinc/77/41/27/801774127.db2.gz JITNBPBWXWCDRE-BBWFWOEESA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C(C)C)C[C@@H]2C1 ZINC001087978433 801774332 /nfs/dbraw/zinc/77/43/32/801774332.db2.gz BGUIEXRKFYZHIZ-CVEARBPZSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(CC)CC)C[C@@H]2C1 ZINC001088206613 801775342 /nfs/dbraw/zinc/77/53/42/801775342.db2.gz XOOCQWZVPFQABP-CVEARBPZSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C2CCCC2)[C@H]1C ZINC001088627293 801804676 /nfs/dbraw/zinc/80/46/76/801804676.db2.gz IJPCUJVJCCBCTQ-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2(C)CCC(C)CC2)[C@H]1C ZINC001089068125 801821179 /nfs/dbraw/zinc/82/11/79/801821179.db2.gz NJLOYQPHKXCHMT-NDUQDZPOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC=CCC2)CC(C)(C)C1 ZINC001089313967 801833323 /nfs/dbraw/zinc/83/33/23/801833323.db2.gz ZISWIJCZDYBKLB-JKSUJKDBSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC2(C)C)CC(C)(C)C1 ZINC001089364282 801835093 /nfs/dbraw/zinc/83/50/93/801835093.db2.gz XYNVTWIXHGVYBS-CABCVRRESA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C2=CCCC2)CC(C)(C)C1 ZINC001089360917 801835396 /nfs/dbraw/zinc/83/53/96/801835396.db2.gz RWGWBHPCRFGOFJ-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)c1cccc(C)c1)C2 ZINC001096075155 801888417 /nfs/dbraw/zinc/88/84/17/801888417.db2.gz OHMBWQOIZBVCQV-RANZSIQMSA-N 1 1 298.430 3.006 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCCC1(C)C)C2 ZINC001096632799 801889691 /nfs/dbraw/zinc/88/96/91/801889691.db2.gz ORTXSVTZGJMZEE-WCVJEAGWSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1C=CCC1)C2 ZINC001096780121 801894819 /nfs/dbraw/zinc/89/48/19/801894819.db2.gz JFAURQSCTCQGQA-HZMVEIRTSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)c1ccc(C)cc1)C2 ZINC001098239942 801907907 /nfs/dbraw/zinc/90/79/07/801907907.db2.gz ALHGGFJZGIFDQN-DDBAPUKQSA-N 1 1 298.430 3.006 20 30 CGEDMO C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@@H]1C=CCC1 ZINC001098888373 801917734 /nfs/dbraw/zinc/91/77/34/801917734.db2.gz MOTRFULKIUXAGJ-CVEARBPZSA-N 1 1 290.451 3.136 20 30 CGEDMO CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(CC)CC ZINC001098923099 801922240 /nfs/dbraw/zinc/92/22/40/801922240.db2.gz YBMJDQNBJZVKDK-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)/C=C\C1CC1 ZINC001099007302 801924767 /nfs/dbraw/zinc/92/47/67/801924767.db2.gz BBPPYQGYQOSZRB-HLRDLLSLSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)/C=C/C1CC1 ZINC001099007304 801924872 /nfs/dbraw/zinc/92/48/72/801924872.db2.gz BBPPYQGYQOSZRB-ROJDOSBLSA-N 1 1 290.451 3.136 20 30 CGEDMO CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)CCC ZINC001098976514 801925121 /nfs/dbraw/zinc/92/51/21/801925121.db2.gz UNRWFQPMIZFPSW-JKSUJKDBSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001099165058 801929934 /nfs/dbraw/zinc/92/99/34/801929934.db2.gz JREKZOLXKMOLMO-JYJNAYRXSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CCF ZINC001099214180 801933949 /nfs/dbraw/zinc/93/39/49/801933949.db2.gz HSKVGGYUNXRVQZ-RHSMWYFYSA-N 1 1 298.446 3.165 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@H]1CCC(C)(C)C[N@H+]1CCF ZINC001099214180 801933952 /nfs/dbraw/zinc/93/39/52/801933952.db2.gz HSKVGGYUNXRVQZ-RHSMWYFYSA-N 1 1 298.446 3.165 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CN(C(=O)CCCC(C)(C)C)C[C@]2(C)C1 ZINC001101174383 801973132 /nfs/dbraw/zinc/97/31/32/801973132.db2.gz QOVTYJLOMFBFQV-QAPCUYQASA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@](C)(CC)CCC)C[C@]2(C)C1 ZINC001101407373 801978410 /nfs/dbraw/zinc/97/84/10/801978410.db2.gz YRGLVRWPJYOOPM-NJAFHUGGSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)CCCCC)[C@H](C)C1 ZINC001101723109 801988581 /nfs/dbraw/zinc/98/85/81/801988581.db2.gz MTSRBCWRQWXDSV-TZMCWYRMSA-N 1 1 286.847 3.003 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)CCCC)[C@H](C)C1 ZINC001101934712 801995137 /nfs/dbraw/zinc/99/51/37/801995137.db2.gz JFJZGMFJKQJSCZ-BZUAXINKSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1C[N@@H+](CCCCC)C[C@H]1C ZINC001102003551 801997862 /nfs/dbraw/zinc/99/78/62/801997862.db2.gz DUWQDVULGGTBRC-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](CNC(=O)C(C)(C)C(C)(C)C)[C@H](C)C1 ZINC001102231872 801999461 /nfs/dbraw/zinc/99/94/61/801999461.db2.gz XIOKIZWQSISPMD-HUUCEWRRSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC2(C)C)[C@H](C)C1 ZINC001102250749 802001838 /nfs/dbraw/zinc/00/18/38/802001838.db2.gz IZIGLYXBZRNSMG-BZUAXINKSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1C ZINC001102264671 802004109 /nfs/dbraw/zinc/00/41/09/802004109.db2.gz VBSSSEAOUASBDF-ZQXYTJGRSA-N 1 1 298.858 3.025 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)CC)[C@H](C)C1 ZINC001102299015 802005049 /nfs/dbraw/zinc/00/50/49/802005049.db2.gz IHGUOBMSPNVLRA-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](CNC(=O)[C@](C)(CC)CCC)[C@H](C)C1 ZINC001102484712 802009460 /nfs/dbraw/zinc/00/94/60/802009460.db2.gz ULMOWJTZNBWZAK-BFYDXBDKSA-N 1 1 280.456 3.073 20 30 CGEDMO CCCCCCCCC(=O)NC[C@@H]1C[N@@H+](CC)C[C@H]1C ZINC001102527215 802010438 /nfs/dbraw/zinc/01/04/38/802010438.db2.gz NFWIVQKRCUUBOY-HZPDHXFCSA-N 1 1 282.472 3.441 20 30 CGEDMO C#CC[N@@H+]1C[C@@H](CNC(=O)CCCCCCCC)[C@H](C)C1 ZINC001102527006 802010687 /nfs/dbraw/zinc/01/06/87/802010687.db2.gz ASGMXOROYKHPRS-IAGOWNOFSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)C2CC2)C1 ZINC001102828225 802021886 /nfs/dbraw/zinc/02/18/86/802021886.db2.gz ISHVXIDZKKIMJR-HLLBOEOZSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC(CC=C)C(=O)NCC[C@@H]1C[N@@H+](CCC)C[C@H]1C ZINC001103024786 802026171 /nfs/dbraw/zinc/02/61/71/802026171.db2.gz DROQSWVMNVSAEB-NVXWUHKLSA-N 1 1 292.467 3.239 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)C(=C)Cl)C1 ZINC001103029967 802027680 /nfs/dbraw/zinc/02/76/80/802027680.db2.gz ITDHOPGGBUNULB-TZMCWYRMSA-N 1 1 298.858 3.025 20 30 CGEDMO C=C(C)CCC(=O)NCC[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C ZINC001103042967 802027877 /nfs/dbraw/zinc/02/78/77/802027877.db2.gz LWHJNILKKCQQOA-IAGOWNOFSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+](CC2CC2)C[C@H]1C ZINC001103308176 802028311 /nfs/dbraw/zinc/02/83/11/802028311.db2.gz XIBKFPDNNLDWIS-GDBMZVCRSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)CC(C)(C)C)CCC[C@@H]12 ZINC001107282725 802083694 /nfs/dbraw/zinc/08/36/94/802083694.db2.gz RYAOWNXMZCNRRL-CRAIPNDOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)CC(C)(C)CC)CCC[C@@H]12 ZINC001107417800 802088580 /nfs/dbraw/zinc/08/85/80/802088580.db2.gz QGRJWNIRUNTCEN-CRAIPNDOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)C[C@H](C=C)CC)CCC[C@@H]12 ZINC001107515548 802089816 /nfs/dbraw/zinc/08/98/16/802089816.db2.gz XGTYIICCJKEXLG-JFIYKMOQSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(CNC(=O)C3(CC)CC3)CCC[C@@H]12 ZINC001107538865 802090150 /nfs/dbraw/zinc/09/01/50/802090150.db2.gz YNQLTYOXFRQHPT-CRAIPNDOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)CC=C)CCC[C@@H]12 ZINC001107561657 802090650 /nfs/dbraw/zinc/09/06/50/802090650.db2.gz OEZLRTSNTZSCIA-CRAIPNDOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)C)CCC[C@@H]12 ZINC001107616851 802092481 /nfs/dbraw/zinc/09/24/81/802092481.db2.gz NGRQQHHBOTZSJA-CZUORRHYSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)(C)C ZINC001109055173 802106083 /nfs/dbraw/zinc/10/60/83/802106083.db2.gz ROAKALVKNDUOMY-ILXRZTDVSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC/C=C/CC ZINC001109603072 802118051 /nfs/dbraw/zinc/11/80/51/802118051.db2.gz GTTGUUNKBCLLTG-JRSRBHBDSA-N 1 1 290.451 3.276 20 30 CGEDMO CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[C@@H]1C)C2 ZINC001109605780 802118797 /nfs/dbraw/zinc/11/87/97/802118797.db2.gz QNUCEBLKISUFNF-QEOTZNIISA-N 1 1 292.467 3.334 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C/C=C(/C)C=C)C2 ZINC001109619153 802118844 /nfs/dbraw/zinc/11/88/44/802118844.db2.gz JGHZXXFYNXBRLX-LBOMFDKSSA-N 1 1 288.435 3.197 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H](C)CC)C2 ZINC001109874582 802126714 /nfs/dbraw/zinc/12/67/14/802126714.db2.gz KNOJRQCDPTVWEH-WCVJEAGWSA-N 1 1 278.440 3.110 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)CC(C)C)C2 ZINC001109894620 802127084 /nfs/dbraw/zinc/12/70/84/802127084.db2.gz PEKTXDDBCQZCFE-YVSFHVDLSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)CCCC)C2 ZINC001110519519 802143781 /nfs/dbraw/zinc/14/37/81/802143781.db2.gz YBZLGVRSCBETJP-FPCVCCKLSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@](C)(F)CCCC)C2 ZINC001110742649 802147461 /nfs/dbraw/zinc/14/74/61/802147461.db2.gz NVMKXVIUYCJZOV-AIANPOQGSA-N 1 1 296.430 3.202 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)C ZINC001110934880 802150330 /nfs/dbraw/zinc/15/03/30/802150330.db2.gz PWWJDNPCLTUTKH-VQHPVUNQSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(CC)CCC1)C2 ZINC001110927173 802150480 /nfs/dbraw/zinc/15/04/80/802150480.db2.gz JGXBOJAZJFDUIU-OAGGEKHMSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(C)C ZINC001110966690 802152397 /nfs/dbraw/zinc/15/23/97/802152397.db2.gz BIVDLPDIVYVWDG-OAGGEKHMSA-N 1 1 276.424 3.030 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)CCC)C2 ZINC001110970372 802152706 /nfs/dbraw/zinc/15/27/06/802152706.db2.gz RTNDDCZMBCYXDG-KFWWJZLASA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1 ZINC001110964442 802152853 /nfs/dbraw/zinc/15/28/53/802152853.db2.gz LHPVCMMZQFZQBS-KURKYZTESA-N 1 1 298.430 3.264 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1 ZINC001111071185 802154827 /nfs/dbraw/zinc/15/48/27/802154827.db2.gz SCYVMRWFEBKGIV-OAGGEKHMSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)C(C)(C)C)C2 ZINC001111323306 802158639 /nfs/dbraw/zinc/15/86/39/802158639.db2.gz WPGXEKYSOMKFDT-JJXSEGSLSA-N 1 1 292.467 3.356 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)CCC)C1 ZINC001111650616 802164507 /nfs/dbraw/zinc/16/45/07/802164507.db2.gz YNIKOJPRARFLCC-RYRKJORJSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)CC)C1 ZINC001111728547 802166927 /nfs/dbraw/zinc/16/69/27/802166927.db2.gz GUKMULIZFAIVAL-RYRKJORJSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](C[C@H](C)CC)C2 ZINC001111765073 802168696 /nfs/dbraw/zinc/16/86/96/802168696.db2.gz SEYTZIRQGJDNDL-RYRKJORJSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)/C=C(/C)CC)C1 ZINC001111737934 802169121 /nfs/dbraw/zinc/16/91/21/802169121.db2.gz SLXWTQMCEMSJJP-QNPCKFRZSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C=C)CC)C1 ZINC001111848863 802170188 /nfs/dbraw/zinc/17/01/88/802170188.db2.gz VXXULLTZSDKORW-BQFCYCMXSA-N 1 1 290.451 3.136 20 30 CGEDMO CCCCCCC[NH+]1CCN(C(=O)c2ccoc2)CC1 ZINC001112610679 802180582 /nfs/dbraw/zinc/18/05/82/802180582.db2.gz XZZTWRPAZIPQKS-UHFFFAOYSA-N 1 1 278.396 3.008 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)CCCC[C@@H](C)CC)CC1 ZINC001112887828 802194711 /nfs/dbraw/zinc/19/47/11/802194711.db2.gz ATFRQNWYISFAOD-INIZCTEOSA-N 1 1 280.456 3.313 20 30 CGEDMO C=C(C)CC[NH+]1CCN(C(=O)[C@@](C)(F)CCCC)CC1 ZINC001113041537 802201124 /nfs/dbraw/zinc/20/11/24/802201124.db2.gz AXUVGNQDGJNADO-INIZCTEOSA-N 1 1 284.419 3.015 20 30 CGEDMO CCCCCCC[NH+]1CCN(C(=O)[C@@H](F)C(C)C)CC1 ZINC001113215411 802204547 /nfs/dbraw/zinc/20/45/47/802204547.db2.gz PVNCBYPETJOXMM-HNNXBMFYSA-N 1 1 286.435 3.095 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)C[C@H](C)CCC=C(C)C)CC1 ZINC001113372468 802216247 /nfs/dbraw/zinc/21/62/47/802216247.db2.gz GFGYFKFUIVSRDD-QGZVFWFLSA-N 1 1 292.467 3.479 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)[C@H](C)CCCCCC)CC1 ZINC001113446897 802220605 /nfs/dbraw/zinc/22/06/05/802220605.db2.gz OQYKRVFQLJGULS-MRXNPFEDSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1 ZINC001113779441 802233808 /nfs/dbraw/zinc/23/38/08/802233808.db2.gz DZLGTZXUFAZHFZ-PIIMJCKOSA-N 1 1 298.430 3.093 20 30 CGEDMO CC/C=C(\C)C(=O)NC1[C@H]2C[N@H+](CCCCCCC)C[C@@H]12 ZINC001113967819 802236166 /nfs/dbraw/zinc/23/61/66/802236166.db2.gz BRFOAGXVVYJVKI-NZOZXDMSSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)CC ZINC001114192564 802240014 /nfs/dbraw/zinc/24/00/14/802240014.db2.gz XNTZECQCJJITKY-CBZIJGRNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)CC(C)(C)C ZINC001114882299 802246834 /nfs/dbraw/zinc/24/68/34/802246834.db2.gz DSZRATWDODOONO-LJIGWXMPSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)CCCCCC ZINC001114991361 802249184 /nfs/dbraw/zinc/24/91/84/802249184.db2.gz BWWGSPLWYLKTBH-NCOADZHNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001116345809 802331716 /nfs/dbraw/zinc/33/17/16/802331716.db2.gz HPKBMIVRGMOXFK-GJZGRUSLSA-N 1 1 299.418 3.069 20 30 CGEDMO C=CCn1cnn(C[N@@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)c1=S ZINC001116533169 802373265 /nfs/dbraw/zinc/37/32/65/802373265.db2.gz JXNCUJWDVTYVJU-MJBXVCDLSA-N 1 1 292.452 3.068 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC001116556571 802378010 /nfs/dbraw/zinc/37/80/10/802378010.db2.gz PVZNTVJZJRBZTA-HNNXBMFYSA-N 1 1 284.359 3.119 20 30 CGEDMO C=CC[C@H]([NH2+][C@@H]1CCC[C@@H](CC)C1)C(=O)OCC ZINC001116790424 802411137 /nfs/dbraw/zinc/41/11/37/802411137.db2.gz VCWCBPPXGYZHBY-MCIONIFRSA-N 1 1 253.386 3.053 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cc(Cl)cs2)C1 ZINC001116839008 802417743 /nfs/dbraw/zinc/41/77/43/802417743.db2.gz CUYBCEDIGAZGFO-NSHDSACASA-N 1 1 257.786 3.178 20 30 CGEDMO C=C[C@@H](COC)[NH2+][C@@H]1CCc2ccc(F)c(Cl)c21 ZINC001118310664 802548585 /nfs/dbraw/zinc/54/85/85/802548585.db2.gz UXGXGUIISAPRLC-CMPLNLGQSA-N 1 1 269.747 3.257 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@]2(CCC[C@H]2C(=O)NC(C)(C)C)C1 ZINC001277758859 809093430 /nfs/dbraw/zinc/09/34/30/809093430.db2.gz ZTHUSORPECZABU-YJBOKZPZSA-N 1 1 292.467 3.360 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](CCc2ccc(F)cc2F)C1 ZINC001118649103 802591828 /nfs/dbraw/zinc/59/18/28/802591828.db2.gz CWMKCOZPNBWBCG-LBPRGKRZSA-N 1 1 264.319 3.133 20 30 CGEDMO Clc1ccccc1C#CC[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001118799407 802604552 /nfs/dbraw/zinc/60/45/52/802604552.db2.gz YFTWMNGANAWRDD-RDJZCZTQSA-N 1 1 289.806 3.192 20 30 CGEDMO Clc1ccccc1C#CC[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001118799407 802604555 /nfs/dbraw/zinc/60/45/55/802604555.db2.gz YFTWMNGANAWRDD-RDJZCZTQSA-N 1 1 289.806 3.192 20 30 CGEDMO Cc1cccc(NC[C@@H]2CCC[N@@H+]2C[C@@H](C)CCC#N)n1 ZINC001119296246 802644850 /nfs/dbraw/zinc/64/48/50/802644850.db2.gz PFXCWEIZGAGOCG-HOCLYGCPSA-N 1 1 286.423 3.206 20 30 CGEDMO COC[C@H]1CCCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001119819600 802701981 /nfs/dbraw/zinc/70/19/81/802701981.db2.gz QOEORRVRFUDPJJ-ZDUSSCGKSA-N 1 1 292.810 3.460 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(C)=O)C1 ZINC001120271962 802737701 /nfs/dbraw/zinc/73/77/01/802737701.db2.gz INOJPHYTODSDST-ZWKOTPCHSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCCC)C1 ZINC001120320741 802739669 /nfs/dbraw/zinc/73/96/69/802739669.db2.gz SGDXJURDQJWJDU-SJORKVTESA-N 1 1 292.467 3.456 20 30 CGEDMO Cc1ccc(N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C#N)n1 ZINC001120921179 802793760 /nfs/dbraw/zinc/79/37/60/802793760.db2.gz LWBHSZNJTDFPED-GJZGRUSLSA-N 1 1 298.434 3.327 20 30 CGEDMO C=C(CC)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001123779828 802969253 /nfs/dbraw/zinc/96/92/53/802969253.db2.gz JMAOHZZHFFGEGD-LJQANCHMSA-N 1 1 298.430 3.077 20 30 CGEDMO C[Si](C)(C)C#Cc1ccc(C2=C[NH2+]CCC2)nc1 ZINC001243948162 803093717 /nfs/dbraw/zinc/09/37/17/803093717.db2.gz WBXVGBPYQIIYPD-UHFFFAOYSA-N 1 1 256.425 3.035 20 30 CGEDMO C=CC1(CC(=O)N2CC[N@H+](C)CC2(C)C)CCCCC1 ZINC001127256169 803134671 /nfs/dbraw/zinc/13/46/71/803134671.db2.gz UAMGHBFLSZDSON-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO N#CC1(c2cccc(-c3ccc4[nH+]c(N)[nH]c4c3)c2)CC1 ZINC001244073818 803172108 /nfs/dbraw/zinc/17/21/08/803172108.db2.gz KTPLCBJILDLNDC-UHFFFAOYSA-N 1 1 274.327 3.367 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C2CC2)CC[C@H]1C ZINC001131731026 803338079 /nfs/dbraw/zinc/33/80/79/803338079.db2.gz TVBLPTDLZNROJS-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H](NC(=O)C(F)F)CC[C@@H]1C ZINC001131742772 803339714 /nfs/dbraw/zinc/33/97/14/803339714.db2.gz HFDMRPLNIADJIZ-QWHCGFSZSA-N 1 1 290.398 3.191 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)CC(C)(C)C)CC[C@@H]1C ZINC001131839215 803349972 /nfs/dbraw/zinc/34/99/72/803349972.db2.gz OOSSQKQMLYISPU-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)/C=C(/C)C2CC2)CC[C@@H]1C ZINC001131861844 803352631 /nfs/dbraw/zinc/35/26/31/803352631.db2.gz PVDKYOXFGMHXBG-KTWGLELUSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC2=CCCCC2)C1 ZINC001131898748 803355998 /nfs/dbraw/zinc/35/59/98/803355998.db2.gz DMRIXLMOCXNCHO-DOTOQJQBSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)CCC2CCC2)CC[C@H]1C ZINC001131942192 803359453 /nfs/dbraw/zinc/35/94/53/803359453.db2.gz ALVOPPXCVZGUCM-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO CCCCC[N@H+]1C[C@H](NC(=O)C#CC(C)(C)C)CC[C@H]1C ZINC001132039535 803368578 /nfs/dbraw/zinc/36/85/78/803368578.db2.gz ZFTYUTCRLMASGC-HZPDHXFCSA-N 1 1 292.467 3.195 20 30 CGEDMO CCCCCC[N@H+]1C[C@H](NC(=O)C#CC(C)C)CC[C@H]1C ZINC001132024114 803368663 /nfs/dbraw/zinc/36/86/63/803368663.db2.gz CZZDWAZZBQBAEO-IAGOWNOFSA-N 1 1 292.467 3.195 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](C/C=C/Cl)C1 ZINC001132073577 803371861 /nfs/dbraw/zinc/37/18/61/803371861.db2.gz WSQAQXVMUAYPFX-JNGJTHOISA-N 1 1 284.831 3.064 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[C@H](C)[N@H+](C/C=C/Cl)C1 ZINC001132073577 803371866 /nfs/dbraw/zinc/37/18/66/803371866.db2.gz WSQAQXVMUAYPFX-JNGJTHOISA-N 1 1 284.831 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)C(C)(C)C(=C)Cl)CC[C@H]1C ZINC001132079060 803372594 /nfs/dbraw/zinc/37/25/94/803372594.db2.gz SIESZWIKVPPRSH-TZMCWYRMSA-N 1 1 298.858 3.310 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCC(=C)C)C1 ZINC001132256095 803389225 /nfs/dbraw/zinc/38/92/25/803389225.db2.gz JEHPTRIXASYLRB-JKSUJKDBSA-N 1 1 278.440 3.278 20 30 CGEDMO C#CC[N@H+]1C[C@H](NC(=O)CCCCCC(C)C)CC[C@H]1C ZINC001132339793 803396470 /nfs/dbraw/zinc/39/64/70/803396470.db2.gz JRJJISSKPWXIEB-IAGOWNOFSA-N 1 1 292.467 3.195 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)o2)C1 ZINC001137067862 803679515 /nfs/dbraw/zinc/67/95/15/803679515.db2.gz LMWRWKAYGHYYRW-AWEZNQCLSA-N 1 1 273.380 3.005 20 30 CGEDMO CC(C)(C)c1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)[nH]1 ZINC001137376289 803724793 /nfs/dbraw/zinc/72/47/93/803724793.db2.gz CDIKJHAPMNOCME-ZDUSSCGKSA-N 1 1 259.397 3.438 20 30 CGEDMO CCC[N@H+](Cc1ccc(OC)cc1C#N)CC(C)C ZINC001137705853 803760928 /nfs/dbraw/zinc/76/09/28/803760928.db2.gz DARAGQZLSBJAJD-UHFFFAOYSA-N 1 1 260.381 3.435 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2Cl)OCO3)CC1 ZINC001138244998 803880892 /nfs/dbraw/zinc/88/08/92/803880892.db2.gz PELCGDGFGJSOOL-LLVKDONJSA-N 1 1 292.766 3.194 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2cc3c(cc2Cl)OCO3)CC1 ZINC001138244998 803880902 /nfs/dbraw/zinc/88/09/02/803880902.db2.gz PELCGDGFGJSOOL-LLVKDONJSA-N 1 1 292.766 3.194 20 30 CGEDMO C=CC[N@@H+](Cc1cccc2nccnc12)C(C)(C)C ZINC001138308004 803892683 /nfs/dbraw/zinc/89/26/83/803892683.db2.gz VJHHNMNKBATFQL-UHFFFAOYSA-N 1 1 255.365 3.416 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC[C@@H](C)CC2)cc1OC ZINC001138344134 803898567 /nfs/dbraw/zinc/89/85/67/803898567.db2.gz YFWFTYGAWOVZKH-OAHLLOKOSA-N 1 1 287.403 3.329 20 30 CGEDMO C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(C#Cc2ccccc2)cc1 ZINC001138335611 803898613 /nfs/dbraw/zinc/89/86/13/803898613.db2.gz XRMBNLMENICJPE-UZLBHIALSA-N 1 1 291.394 3.042 20 30 CGEDMO C[N@@H+](Cc1ccc(C#Cc2ccccc2)cc1)[C@@H]1CCOC1 ZINC001138336031 803899230 /nfs/dbraw/zinc/89/92/30/803899230.db2.gz IAQMCPUYVLKKLG-HXUWFJFHSA-N 1 1 291.394 3.307 20 30 CGEDMO COc1c(F)cc(C[N@@H+]2CCC[C@H](C#N)CC2)cc1F ZINC001138425578 803929663 /nfs/dbraw/zinc/92/96/63/803929663.db2.gz YKUMGTHGVJVRQJ-NSHDSACASA-N 1 1 280.318 3.099 20 30 CGEDMO COc1c(F)cc(C[N@H+]2CCC[C@H](C#N)CC2)cc1F ZINC001138425578 803929671 /nfs/dbraw/zinc/92/96/71/803929671.db2.gz YKUMGTHGVJVRQJ-NSHDSACASA-N 1 1 280.318 3.099 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)cc1 ZINC001138557330 803966702 /nfs/dbraw/zinc/96/67/02/803966702.db2.gz HNNMQJAGFJSWQT-FUHWJXTLSA-N 1 1 269.388 3.463 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CC[C@H](C)C[C@H]2C)cc1 ZINC001138557442 803967202 /nfs/dbraw/zinc/96/72/02/803967202.db2.gz LDFGKFUVQNGPKK-LSDHHAIUSA-N 1 1 257.377 3.319 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2C)cc1 ZINC001138558829 803968022 /nfs/dbraw/zinc/96/80/22/803968022.db2.gz JQHQPHDODZGBPV-GJZGRUSLSA-N 1 1 257.377 3.319 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](Cc2ccccc2N2CCCC2)C1 ZINC001138615977 803981230 /nfs/dbraw/zinc/98/12/30/803981230.db2.gz QWIGBYJFDKYANY-KRWDZBQOSA-N 1 1 269.392 3.022 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](Cc2ccccc2N2CCCC2)C1 ZINC001138615977 803981235 /nfs/dbraw/zinc/98/12/35/803981235.db2.gz QWIGBYJFDKYANY-KRWDZBQOSA-N 1 1 269.392 3.022 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CCC[C@@]3(CCOC3)C2)c1O ZINC001138625635 803983366 /nfs/dbraw/zinc/98/33/66/803983366.db2.gz RFHYGADZCZAXHU-GOSISDBHSA-N 1 1 287.403 3.123 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2c(C)cc(OC)c(C)c2C)C1 ZINC001138725266 804023613 /nfs/dbraw/zinc/02/36/13/804023613.db2.gz SBCHSRDSJKZSNA-MRXNPFEDSA-N 1 1 271.404 3.466 20 30 CGEDMO C=CCCCCCC[C@@H](O)CN1CCC2(CCC[NH2+]2)CC1 ZINC001246023457 804101157 /nfs/dbraw/zinc/10/11/57/804101157.db2.gz BZOFOQCMTGCYOC-QGZVFWFLSA-N 1 1 294.483 3.092 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@](C)(CO)CC1 ZINC001139028942 804112000 /nfs/dbraw/zinc/11/20/00/804112000.db2.gz JXMIOYQFBLOMGI-SFHVURJKSA-N 1 1 289.419 3.236 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CC[C@]2(CCCO2)C1 ZINC001139029420 804112853 /nfs/dbraw/zinc/11/28/53/804112853.db2.gz XMFIMAPPTPSWTB-QGZVFWFLSA-N 1 1 273.376 3.006 20 30 CGEDMO C=CCOc1ccccc1C[N@H+](CCOC)C(C)C ZINC001139029516 804113925 /nfs/dbraw/zinc/11/39/25/804113925.db2.gz BLTTYAMLAHXWAL-UHFFFAOYSA-N 1 1 263.381 3.108 20 30 CGEDMO CCCCCCC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001139094060 804125717 /nfs/dbraw/zinc/12/57/17/804125717.db2.gz QZILZUHMJWIDDE-UHFFFAOYSA-N 1 1 287.411 3.269 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc(Oc3ncccn3)cc2)C1 ZINC001139081931 804125950 /nfs/dbraw/zinc/12/59/50/804125950.db2.gz YERGFTSEKLCTCE-HNNXBMFYSA-N 1 1 293.370 3.114 20 30 CGEDMO C=CC[N@@H+](Cc1ccc2nsnc2c1)C(C)(C)C ZINC001139214537 804165581 /nfs/dbraw/zinc/16/55/81/804165581.db2.gz RBPAKOOIKKHXKB-UHFFFAOYSA-N 1 1 261.394 3.478 20 30 CGEDMO CC(C)[N@@H+](C)Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139400484 804187128 /nfs/dbraw/zinc/18/71/28/804187128.db2.gz TXYUSQDQEXGYTP-UHFFFAOYSA-N 1 1 265.360 3.460 20 30 CGEDMO CCCCCCC[C@@H](CC)[NH2+][C@H]1CNCC[C@H]1F ZINC001246217428 804213948 /nfs/dbraw/zinc/21/39/48/804213948.db2.gz JSFYVCTWNMLBAB-KFWWJZLASA-N 1 1 258.425 3.415 20 30 CGEDMO C#Cc1cccc(CN[C@@H]2CC[NH2+][C@H](CCCC)C2)c1 ZINC001246261402 804242623 /nfs/dbraw/zinc/24/26/23/804242623.db2.gz DHPGQFINKARYST-QZTJIDSGSA-N 1 1 270.420 3.068 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+](C2CCC2)C2CCOCC2)c1 ZINC001139650780 804243775 /nfs/dbraw/zinc/24/37/75/804243775.db2.gz VYTGVGUDPYORBQ-UHFFFAOYSA-N 1 1 288.366 3.231 20 30 CGEDMO CC1(C)C[N@@H+](Cc2c[nH]c3c2cccc3C#N)CCCO1 ZINC001139703107 804261136 /nfs/dbraw/zinc/26/11/36/804261136.db2.gz JAJZUXRAZMCUTE-UHFFFAOYSA-N 1 1 283.375 3.040 20 30 CGEDMO C=CCn1cc(C[N@H+]2CCc3ccccc3[C@H]2C)cn1 ZINC001139766960 804277057 /nfs/dbraw/zinc/27/70/57/804277057.db2.gz ZVXDONXLDLQSIX-CQSZACIVSA-N 1 1 267.376 3.188 20 30 CGEDMO CCCCCCC[C@H](CC(C)C)[NH2+][C@@H]1CCNC[C@@H]1CO ZINC001246320958 804280395 /nfs/dbraw/zinc/28/03/95/804280395.db2.gz MFXMUSIMVWLMLQ-KZNAEPCWSA-N 1 1 298.515 3.322 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cccc3cccnc32)no1 ZINC001212325137 815005864 /nfs/dbraw/zinc/00/58/64/815005864.db2.gz JWNFOTVUKZMQDF-AWEZNQCLSA-N 1 1 292.342 3.088 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cc(C)cc(C)c2)no1 ZINC001212325125 815006003 /nfs/dbraw/zinc/00/60/03/815006003.db2.gz JFXKOVISNBXXKO-AWEZNQCLSA-N 1 1 269.348 3.157 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140110304 804378809 /nfs/dbraw/zinc/37/88/09/804378809.db2.gz DVCTWUBLISOASG-GFCCVEGCSA-N 1 1 253.349 3.271 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)CCC[C@]1(C)O ZINC001140110320 804380253 /nfs/dbraw/zinc/38/02/53/804380253.db2.gz IQLRLSFMEFINAQ-ACJLOTCBSA-N 1 1 297.402 3.022 20 30 CGEDMO CCCCCCC[N@@H+](C)Cc1cnc(SC)nc1N ZINC001140249564 804405020 /nfs/dbraw/zinc/40/50/20/804405020.db2.gz YHJQOEFVKFVTSZ-UHFFFAOYSA-N 1 1 282.457 3.183 20 30 CGEDMO CCCCCCCCC[C@@H](C)[N@@H+](C)C[C@H]1CNCCO1 ZINC001246562186 804412052 /nfs/dbraw/zinc/41/20/52/804412052.db2.gz YYHVRJCHUSWLFA-IAGOWNOFSA-N 1 1 284.488 3.436 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCCC[C@@](F)(CN)C3)C[C@H](C1)C2 ZINC001246575667 804422907 /nfs/dbraw/zinc/42/29/07/804422907.db2.gz IVYPZBGQWWETJQ-FCLJQHQZSA-N 1 1 280.431 3.274 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(-c2ccc(Cl)nn2)cc1 ZINC001140414999 804430114 /nfs/dbraw/zinc/43/01/14/804430114.db2.gz FYAMUDZZWXGJLR-UHFFFAOYSA-N 1 1 273.767 3.415 20 30 CGEDMO Cc1ccc(Cl)nc1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001140444618 804436925 /nfs/dbraw/zinc/43/69/25/804436925.db2.gz WGFWXKZEXGCBAR-XYYAHUGASA-N 1 1 275.783 3.310 20 30 CGEDMO Cc1ccc(Cl)nc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001140444618 804436926 /nfs/dbraw/zinc/43/69/26/804436926.db2.gz WGFWXKZEXGCBAR-XYYAHUGASA-N 1 1 275.783 3.310 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)cc1O ZINC001140464832 804443545 /nfs/dbraw/zinc/44/35/45/804443545.db2.gz CDPFBCQZKRTSJD-OJNYZHBWSA-N 1 1 276.767 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@H](c2ccccc2)C2(CNC2)C1 ZINC001246616674 804452260 /nfs/dbraw/zinc/45/22/60/804452260.db2.gz ADUFTLKLPNYQMY-DOTOQJQBSA-N 1 1 270.420 3.030 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@H](c2ccccc2)C2(CNC2)C1 ZINC001246616674 804452265 /nfs/dbraw/zinc/45/22/65/804452265.db2.gz ADUFTLKLPNYQMY-DOTOQJQBSA-N 1 1 270.420 3.030 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)nc1)Cc1cccc(Cl)c1 ZINC001140542440 804456192 /nfs/dbraw/zinc/45/61/92/804456192.db2.gz CMJWJFMLWWPBQJ-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)nc1)Cc1cccc(Cl)c1 ZINC001140542440 804456196 /nfs/dbraw/zinc/45/61/96/804456196.db2.gz CMJWJFMLWWPBQJ-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](Cc3ccccc3)C2)cn1 ZINC001140543160 804457981 /nfs/dbraw/zinc/45/79/81/804457981.db2.gz LEESCSMCDPXGGI-QGZVFWFLSA-N 1 1 291.398 3.408 20 30 CGEDMO COc1cccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)nc2)c1 ZINC001140546123 804458269 /nfs/dbraw/zinc/45/82/69/804458269.db2.gz UVZIHLHIVLPXEV-GOSISDBHSA-N 1 1 293.370 3.299 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2C2CCCCC2)cn1 ZINC001140545649 804458409 /nfs/dbraw/zinc/45/84/09/804458409.db2.gz IMKMXEYJUGVGIK-KRWDZBQOSA-N 1 1 269.392 3.498 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CC[C@@H]2OCCN[C@H]2C1 ZINC001246655324 804479950 /nfs/dbraw/zinc/47/99/50/804479950.db2.gz HFQGEWMRJFRXEL-IKGGRYGDSA-N 1 1 282.472 3.188 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2OC)C1 ZINC001140728697 804499705 /nfs/dbraw/zinc/49/97/05/804499705.db2.gz MHEWMZGKURERAV-GFCCVEGCSA-N 1 1 263.768 3.194 20 30 CGEDMO CC[C@H]1CNCC[N@H+]1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246803653 804523763 /nfs/dbraw/zinc/52/37/63/804523763.db2.gz NOBHERNFQZQAIE-XBMUEBEBSA-N 1 1 297.446 3.268 20 30 CGEDMO CC[C@H]1C[NH2+]CCN1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246803653 804523769 /nfs/dbraw/zinc/52/37/69/804523769.db2.gz NOBHERNFQZQAIE-XBMUEBEBSA-N 1 1 297.446 3.268 20 30 CGEDMO CC[C@H](C)[C@H]([NH2+]C1CCC(C#N)CC1)C(=O)OC(C)(C)C ZINC001256958103 807016259 /nfs/dbraw/zinc/01/62/59/807016259.db2.gz UDEOYUZBWLBOEV-PPWQZUPISA-N 1 1 294.439 3.415 20 30 CGEDMO CCCCCCC[C@@H](C)N1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001246840708 804549676 /nfs/dbraw/zinc/54/96/76/804549676.db2.gz JKDKOJUFIRYFIG-LVQVYYBASA-N 1 1 252.446 3.405 20 30 CGEDMO N#CC1CCC([N@H+]2CC[C@H](F)C(F)(F)CC2)CC1 ZINC001256965718 807018647 /nfs/dbraw/zinc/01/86/47/807018647.db2.gz YHOATOLOXJBJAV-MCIGGMRASA-N 1 1 260.303 3.138 20 30 CGEDMO N#CC1CCC([N@H+]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001256968822 807019287 /nfs/dbraw/zinc/01/92/87/807019287.db2.gz OPGSAWXQPALMRM-MOENNCHZSA-N 1 1 260.303 3.343 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)C1CCC(C#N)CC1 ZINC001256972455 807021291 /nfs/dbraw/zinc/02/12/91/807021291.db2.gz YWIXACZTSURXIY-UHFFFAOYSA-N 1 1 253.349 3.072 20 30 CGEDMO CCCCCCC[C@@H](CCC)[N@H+]1CCN[C@@H](CCO)C1 ZINC001246877652 804576767 /nfs/dbraw/zinc/57/67/67/804576767.db2.gz XKXKVWJUNYDLSW-DLBZAZTESA-N 1 1 284.488 3.172 20 30 CGEDMO CC[C@@H]1CCC[N@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141112198 804591507 /nfs/dbraw/zinc/59/15/07/804591507.db2.gz SKTBDSMVFXYGQX-MRVPVSSYSA-N 1 1 269.801 3.230 20 30 CGEDMO N#Cc1ccc(C2CCC([N@@H+]3CCC[C@@H]3CN)CC2)cc1 ZINC001246906802 804592189 /nfs/dbraw/zinc/59/21/89/804592189.db2.gz AKAPZMPXDSFTOI-DAWZGUTISA-N 1 1 283.419 3.008 20 30 CGEDMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141112218 804592332 /nfs/dbraw/zinc/59/23/32/804592332.db2.gz UJNYZJOOXWAHCG-DTWKUNHWSA-N 1 1 283.828 3.476 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1ccc2c(c1)OCCN2C ZINC001141143411 804597203 /nfs/dbraw/zinc/59/72/03/804597203.db2.gz YELRHIQCCPLGQZ-UHFFFAOYSA-N 1 1 287.407 3.031 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1ccc2c(c1)OCCN2C ZINC001141143411 804597208 /nfs/dbraw/zinc/59/72/08/804597208.db2.gz YELRHIQCCPLGQZ-UHFFFAOYSA-N 1 1 287.407 3.031 20 30 CGEDMO CCCOC1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC001141165064 804601232 /nfs/dbraw/zinc/60/12/32/804601232.db2.gz SMCCSJBBBHVALC-UHFFFAOYSA-N 1 1 276.355 3.088 20 30 CGEDMO CCCCCCCC[C@H](CC)[N@@H+]1C[C@H]2CN[C@@H]2C1 ZINC001246921337 804602763 /nfs/dbraw/zinc/60/27/63/804602763.db2.gz RYQWXPWEKQKMOZ-OWCLPIDISA-N 1 1 252.446 3.419 20 30 CGEDMO CCCCCCCC[C@H](CC)[N@H+]1C[C@H]2CN[C@@H]2C1 ZINC001246921337 804602765 /nfs/dbraw/zinc/60/27/65/804602765.db2.gz RYQWXPWEKQKMOZ-OWCLPIDISA-N 1 1 252.446 3.419 20 30 CGEDMO C=CC[N@@H+](C1CCCCC1)[C@@H]1CCN[C@@H](C(F)(F)F)C1 ZINC001246948489 804616747 /nfs/dbraw/zinc/61/67/47/804616747.db2.gz KJEUUMKZKXDBJN-ZIAGYGMSSA-N 1 1 290.373 3.490 20 30 CGEDMO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H]3C[C@@H]32)c1 ZINC001141664457 804662440 /nfs/dbraw/zinc/66/24/40/804662440.db2.gz LTKILGGCWHAWAD-RISCZKNCSA-N 1 1 291.192 3.305 20 30 CGEDMO N#Cc1ccc(Br)c(C[N@H+]2CCC[C@@H]3C[C@@H]32)c1 ZINC001141664457 804662447 /nfs/dbraw/zinc/66/24/47/804662447.db2.gz LTKILGGCWHAWAD-RISCZKNCSA-N 1 1 291.192 3.305 20 30 CGEDMO C[N@H+](Cc1[nH]cnc1C(C)(C)C)Cc1ccc(C#N)cc1 ZINC001142226635 804704751 /nfs/dbraw/zinc/70/47/51/804704751.db2.gz MOKROCMMSGSUJX-UHFFFAOYSA-N 1 1 282.391 3.211 20 30 CGEDMO C[N@@H+](Cc1[nH]cnc1C(C)(C)C)Cc1ccc(C#N)cc1 ZINC001142226635 804704753 /nfs/dbraw/zinc/70/47/53/804704753.db2.gz MOKROCMMSGSUJX-UHFFFAOYSA-N 1 1 282.391 3.211 20 30 CGEDMO CCCc1ccc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)cc1 ZINC001142353928 804717467 /nfs/dbraw/zinc/71/74/67/804717467.db2.gz FBTZFKDNDZVBMR-MRXNPFEDSA-N 1 1 287.428 3.413 20 30 CGEDMO CCCc1ccc(C[N@@H+]2CCC3SC(=O)C=C3C2)cc1 ZINC001142353928 804717474 /nfs/dbraw/zinc/71/74/74/804717474.db2.gz FBTZFKDNDZVBMR-MRXNPFEDSA-N 1 1 287.428 3.413 20 30 CGEDMO CCCc1ccc(C[N@H+]2CCC3SC(=O)C=C3C2)cc1 ZINC001142353928 804717477 /nfs/dbraw/zinc/71/74/77/804717477.db2.gz FBTZFKDNDZVBMR-MRXNPFEDSA-N 1 1 287.428 3.413 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)c(F)cc1O ZINC001142520129 804730697 /nfs/dbraw/zinc/73/06/97/804730697.db2.gz BYMSAIKMORQMMW-UHFFFAOYSA-N 1 1 288.297 3.174 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)c(F)cc1O ZINC001142520129 804730700 /nfs/dbraw/zinc/73/07/00/804730700.db2.gz BYMSAIKMORQMMW-UHFFFAOYSA-N 1 1 288.297 3.174 20 30 CGEDMO C#CC[C@H]([NH3+])c1nc(-c2cccc(C(F)(F)F)c2C)no1 ZINC001247610390 804779569 /nfs/dbraw/zinc/77/95/69/804779569.db2.gz ZKKBWSQOSVYNKT-NSHDSACASA-N 1 1 295.264 3.087 20 30 CGEDMO N#Cc1ccc2c(C[N@H+]3C[C@@H]4CCC[C@@H]4C3)c[nH]c2c1 ZINC001142911859 804783010 /nfs/dbraw/zinc/78/30/10/804783010.db2.gz LZRKROYXTBOXLQ-OKILXGFUSA-N 1 1 265.360 3.271 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cc(C)cc(C)c2)no1 ZINC001247622080 804783420 /nfs/dbraw/zinc/78/34/20/804783420.db2.gz FLMMOBITDGSPCW-CYBMUJFWSA-N 1 1 257.337 3.319 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2ccc(OCCC)cc2)no1 ZINC001247622310 804783745 /nfs/dbraw/zinc/78/37/45/804783745.db2.gz IXKFLRMPQOVPBG-CQSZACIVSA-N 1 1 287.363 3.491 20 30 CGEDMO C[N@H+](Cc1c[nH]c2cc(C#N)ccc12)C[C@@H]1CCCCO1 ZINC001142921543 804785137 /nfs/dbraw/zinc/78/51/37/804785137.db2.gz PWCOFORMEGNKNK-HNNXBMFYSA-N 1 1 283.375 3.040 20 30 CGEDMO CC1(C)C[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)CCCO1 ZINC001142921402 804785252 /nfs/dbraw/zinc/78/52/52/804785252.db2.gz LDFBOXVDFNUNDL-UHFFFAOYSA-N 1 1 283.375 3.040 20 30 CGEDMO COc1cc(C)cc(OC)c1C[NH+]1CCC(C)(C#N)CC1 ZINC001143144795 804809201 /nfs/dbraw/zinc/80/92/01/804809201.db2.gz OXBHHTRRQLEDSC-UHFFFAOYSA-N 1 1 288.391 3.138 20 30 CGEDMO CC1(C)CCC[N@@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143164488 804815486 /nfs/dbraw/zinc/81/54/86/804815486.db2.gz JQEPPLXLVXYNFE-UHFFFAOYSA-N 1 1 250.292 3.211 20 30 CGEDMO CC1(C)CCC[N@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143164488 804815491 /nfs/dbraw/zinc/81/54/91/804815491.db2.gz JQEPPLXLVXYNFE-UHFFFAOYSA-N 1 1 250.292 3.211 20 30 CGEDMO N#Cc1ccc(C2CCC([N@@H+]3C[C@H]4C[C@@H](C3)O4)CC2)cc1 ZINC001257020083 807029454 /nfs/dbraw/zinc/02/94/54/807029454.db2.gz ZFJVCQVPJBXVKO-OWCVQMPJSA-N 1 1 282.387 3.058 20 30 CGEDMO N#Cc1cncc(C[N@@H+]2CCCC3(CC(F)C3)CC2)c1 ZINC001144083722 804935320 /nfs/dbraw/zinc/93/53/20/804935320.db2.gz QJONDJRWUAFUFC-UHFFFAOYSA-N 1 1 273.355 3.057 20 30 CGEDMO Cc1c(O)cccc1C[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001144107926 804935812 /nfs/dbraw/zinc/93/58/12/804935812.db2.gz QIDNZRZQSAEMKY-UHFFFAOYSA-N 1 1 278.355 3.131 20 30 CGEDMO CC[N@H+](CCC#N)Cc1ccc(-n2cccc2)cc1 ZINC001144247314 804962131 /nfs/dbraw/zinc/96/21/31/804962131.db2.gz WOMRBNYQJVDMRK-UHFFFAOYSA-N 1 1 253.349 3.213 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1ccc(-n2cccc2)cc1 ZINC001144247314 804962135 /nfs/dbraw/zinc/96/21/35/804962135.db2.gz WOMRBNYQJVDMRK-UHFFFAOYSA-N 1 1 253.349 3.213 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC001248748535 804982045 /nfs/dbraw/zinc/98/20/45/804982045.db2.gz MWCJKRGZUBWULO-MLGOLLRUSA-N 1 1 260.356 3.301 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CC[C@](C)(CF)C1 ZINC001248748432 804982467 /nfs/dbraw/zinc/98/24/67/804982467.db2.gz JGWTYTVONCGNBH-MRXNPFEDSA-N 1 1 260.356 3.302 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCC[C@](C)(O)[C@H](C)C1 ZINC001248748726 804982989 /nfs/dbraw/zinc/98/29/89/804982989.db2.gz UMEUDUQSVGEDBO-KDOFPFPSSA-N 1 1 286.419 3.104 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@@H+](C)CCc1cccnc1 ZINC001248751850 804984704 /nfs/dbraw/zinc/98/47/04/804984704.db2.gz MPAPWTRJTFSWAF-UHFFFAOYSA-N 1 1 279.387 3.190 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CC[C@H](OC)C[C@H]1C ZINC001248753204 804985989 /nfs/dbraw/zinc/98/59/89/804985989.db2.gz WXVAMCWSPXEZFS-DYVFJYSZSA-N 1 1 272.392 3.120 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2ccc(F)c3cc[nH]c32)CC1 ZINC001248817612 805003918 /nfs/dbraw/zinc/00/39/18/805003918.db2.gz CWAXELHSEWZHOI-LBPRGKRZSA-N 1 1 271.339 3.433 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC(=O)[C@H]3CCCC[C@H]32)cc1 ZINC001144567321 805006740 /nfs/dbraw/zinc/00/67/40/805006740.db2.gz JRBQNBWQZMFDER-DLBZAZTESA-N 1 1 267.372 3.002 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC(=O)[C@H]3CCCC[C@H]32)cc1 ZINC001144567321 805006751 /nfs/dbraw/zinc/00/67/51/805006751.db2.gz JRBQNBWQZMFDER-DLBZAZTESA-N 1 1 267.372 3.002 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)CCC(C)C)C2)C1 ZINC001146965918 805100388 /nfs/dbraw/zinc/10/03/88/805100388.db2.gz OYEYTYGNVZWPJP-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCCC[N@H+]1CCC2(CN(C(=O)CCC=C)C2)C1 ZINC001147166580 805113488 /nfs/dbraw/zinc/11/34/88/805113488.db2.gz ZWQXKEGRYVPQEO-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO SC1CC[NH+](Cc2csc(-c3ccncc3)n2)CC1 ZINC001249299629 805129554 /nfs/dbraw/zinc/12/95/54/805129554.db2.gz YCQOFGGWCKPNRP-UHFFFAOYSA-N 1 1 291.445 3.099 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)CC(C)(C)CC)C2)C1 ZINC001147624466 805139736 /nfs/dbraw/zinc/13/97/36/805139736.db2.gz FANGSAZUTILYOO-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO CC[C@@H](C)c1nn(C)cc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001249407930 805141216 /nfs/dbraw/zinc/14/12/16/805141216.db2.gz SLHXKNFUODSMMU-ZIAGYGMSSA-N 1 1 274.412 3.059 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC2(C1)CC[N@H+](C[C@@H](C)CC)C2 ZINC001147652440 805141885 /nfs/dbraw/zinc/14/18/85/805141885.db2.gz KAOIDIGCVUUPJD-HNNXBMFYSA-N 1 1 292.467 3.169 20 30 CGEDMO CC1(C)C[N@@H+](Cc2cc3ccc(C#N)cc3[nH]2)[C@@](C)(CO)C1 ZINC001249427279 805147483 /nfs/dbraw/zinc/14/74/83/805147483.db2.gz XNFYXHQNPXZMFH-GOSISDBHSA-N 1 1 297.402 3.022 20 30 CGEDMO N#Cc1ccc2cc(C[N@H+]3CC4CCC3CC4)[nH]c2c1 ZINC001249430006 805148172 /nfs/dbraw/zinc/14/81/72/805148172.db2.gz ZRRZQKIIPNVWLL-UHFFFAOYSA-N 1 1 265.360 3.414 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(CN(C(=O)CC(C)=C(C)C)C2)C1 ZINC001148064954 805162856 /nfs/dbraw/zinc/16/28/56/805162856.db2.gz LZMQCBQLLALJQF-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(F)cc3cc[nH]c32)C1 ZINC001249525680 805166578 /nfs/dbraw/zinc/16/65/78/805166578.db2.gz YIPBWAZVQIUXHD-GFCCVEGCSA-N 1 1 256.324 3.152 20 30 CGEDMO N#Cc1ccc(F)c(F)c1Nc1cc[nH+]cc1C(F)(F)F ZINC001249594617 805185031 /nfs/dbraw/zinc/18/50/31/805185031.db2.gz RVQBHSFFFSBLSO-UHFFFAOYSA-N 1 1 299.202 3.416 20 30 CGEDMO N#CCc1ccccc1Nc1cc[nH+]cc1C(F)(F)F ZINC001249592429 805185371 /nfs/dbraw/zinc/18/53/71/805185371.db2.gz DHEQIQKQJVOFEV-UHFFFAOYSA-N 1 1 277.249 3.332 20 30 CGEDMO C=CC[N@@H+]1CCC2(CN(C(=O)[C@H](C)CCC(C)(C)C)C2)C1 ZINC001148620624 805201529 /nfs/dbraw/zinc/20/15/29/805201529.db2.gz UMTVSMDCCZIDJB-OAHLLOKOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1CCC2(CN(C(=O)C(C)(C)CCCCC)C2)C1 ZINC001148804729 805210801 /nfs/dbraw/zinc/21/08/01/805210801.db2.gz XRWAIIBUYQUHNL-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO COCC[C@@H]1CCCC[N@H+]1Cc1cccc(C#N)c1F ZINC001249685023 805211168 /nfs/dbraw/zinc/21/11/68/805211168.db2.gz AULXCQYSOBMPSE-HNNXBMFYSA-N 1 1 276.355 3.088 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)c1cccc(F)c1 ZINC001151648673 805304020 /nfs/dbraw/zinc/30/40/20/805304020.db2.gz RGNMKFBKIKDVMM-GFCCVEGCSA-N 1 1 298.789 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)c1cccc(F)c1 ZINC001151648673 805304027 /nfs/dbraw/zinc/30/40/27/805304027.db2.gz RGNMKFBKIKDVMM-GFCCVEGCSA-N 1 1 298.789 3.018 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)c1ccccc1C ZINC001151644394 805304434 /nfs/dbraw/zinc/30/44/34/805304434.db2.gz VXISHSJYWQDBHH-MRXNPFEDSA-N 1 1 288.435 3.401 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)c1ccccc1 ZINC001151669706 805306863 /nfs/dbraw/zinc/30/68/63/805306863.db2.gz KJSMOILVYOFOEY-OAHLLOKOSA-N 1 1 274.408 3.093 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC=CCC1 ZINC001151836087 805315786 /nfs/dbraw/zinc/31/57/86/805315786.db2.gz BMBXKQDKULORFD-CVEARBPZSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)CC1=CCCCC1 ZINC001152378716 805347804 /nfs/dbraw/zinc/34/78/04/805347804.db2.gz HSIUQRMPIVHQBQ-OAHLLOKOSA-N 1 1 278.440 3.280 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)/C=C/C(C)(C)C ZINC001152426153 805349000 /nfs/dbraw/zinc/34/90/00/805349000.db2.gz LQWHUSXNJHLOQA-MMQHEFTJSA-N 1 1 286.847 3.168 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)/C=C/C(C)(C)C ZINC001152426153 805349009 /nfs/dbraw/zinc/34/90/09/805349009.db2.gz LQWHUSXNJHLOQA-MMQHEFTJSA-N 1 1 286.847 3.168 20 30 CGEDMO C#CCCCC(=O)NC[C@@H](C)[N@@H+](CC)CC1CC(C)(C)C1 ZINC001153024962 805380773 /nfs/dbraw/zinc/38/07/73/805380773.db2.gz IIEUDVGLGYFPKR-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001153343908 805392849 /nfs/dbraw/zinc/39/28/49/805392849.db2.gz WYDCNYBLZKORGC-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001153343020 805393437 /nfs/dbraw/zinc/39/34/37/805393437.db2.gz ALXXOYRFCWSHHL-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO CCOc1cc(OC)ccc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001250063372 805398703 /nfs/dbraw/zinc/39/87/03/805398703.db2.gz XDPBKVLNMVILJX-AWEZNQCLSA-N 1 1 288.391 3.220 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)C(C)C ZINC001153580966 805404344 /nfs/dbraw/zinc/40/43/44/805404344.db2.gz PDGKOPJKMPEHRA-OAHLLOKOSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H](C)[N@H+](CC)C[C@@H](F)CC ZINC001153608554 805407072 /nfs/dbraw/zinc/40/70/72/805407072.db2.gz HUKFVZUAMMOCEO-KGLIPLIRSA-N 1 1 286.435 3.163 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@](C)(F)CCCC ZINC001154078558 805431714 /nfs/dbraw/zinc/43/17/14/805431714.db2.gz MSSCHTNUKXBWDZ-GDBMZVCRSA-N 1 1 286.435 3.308 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1ccc(CC)s1 ZINC001154205189 805439741 /nfs/dbraw/zinc/43/97/41/805439741.db2.gz GVFNLSAFOUKWSW-CYBMUJFWSA-N 1 1 294.464 3.327 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001154385376 805454114 /nfs/dbraw/zinc/45/41/14/805454114.db2.gz HFMJISCKDFUUDR-PVAVHDDUSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)C[C@H](C)CC ZINC001154584799 805465137 /nfs/dbraw/zinc/46/51/37/805465137.db2.gz YPPJEDNRSYKNRW-HUUCEWRRSA-N 1 1 282.472 3.461 20 30 CGEDMO C#CCCCCCC(=O)NC[C@@H](C)[N@@H+](CC)CCC(C)C ZINC001154609723 805467823 /nfs/dbraw/zinc/46/78/23/805467823.db2.gz VZHVVGZYILELFW-QGZVFWFLSA-N 1 1 294.483 3.443 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)C(C)(C)C ZINC001154609627 805468201 /nfs/dbraw/zinc/46/82/01/805468201.db2.gz PXZMSNSYXOSHFV-CYBMUJFWSA-N 1 1 268.445 3.071 20 30 CGEDMO CN1CCC[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)CC1 ZINC001257016022 807028506 /nfs/dbraw/zinc/02/85/06/807028506.db2.gz RRDGKROKSFNTLI-UHFFFAOYSA-N 1 1 297.446 3.222 20 30 CGEDMO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](C(CC)CC)C2 ZINC001257296677 807092287 /nfs/dbraw/zinc/09/22/87/807092287.db2.gz LVPCGNZBYRNTEX-IRXDYDNUSA-N 1 1 281.440 3.249 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH2+][C@H](CC)CCCC)C(=O)OCC ZINC001257412997 807143276 /nfs/dbraw/zinc/14/32/76/807143276.db2.gz QFQOSNNPLKBZPA-UMVBOHGHSA-N 1 1 253.386 3.053 20 30 CGEDMO C=CC[N@@H+](CCC1C[C@H](C)C[C@@H](C)C1)CC(=O)OCC ZINC001167251855 807170986 /nfs/dbraw/zinc/17/09/86/807170986.db2.gz MAZWVNGGVOHWPN-HUUCEWRRSA-N 1 1 281.440 3.500 20 30 CGEDMO C=CC[N@H+](CCC1C[C@H](C)C[C@@H](C)C1)CC(=O)OCC ZINC001167251855 807170991 /nfs/dbraw/zinc/17/09/91/807170991.db2.gz MAZWVNGGVOHWPN-HUUCEWRRSA-N 1 1 281.440 3.500 20 30 CGEDMO CC(C)[C@H](C#N)c1ccc(N[C@H]2CC[N@@H+](C)C2)cc1 ZINC001167278790 807174666 /nfs/dbraw/zinc/17/46/66/807174666.db2.gz SGKPPZXAKYFELC-HOTGVXAUSA-N 1 1 257.381 3.066 20 30 CGEDMO C#CC[N@H+](C[Si](C)(C)c1ccccc1)C1CCCCC1 ZINC001167274104 807175182 /nfs/dbraw/zinc/17/51/82/807175182.db2.gz XVTBMUJUTHPMDC-UHFFFAOYSA-N 1 1 285.507 3.409 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CC[C@@H](C)[C@H](O)CC3)C[C@H](C1)C2 ZINC001257892336 807242779 /nfs/dbraw/zinc/24/27/79/807242779.db2.gz XARVMWGOTQQVFN-CTVHLWBWSA-N 1 1 263.425 3.214 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CC[C@@](C)(C(=O)OC)C3)C[C@H](C1)C2 ZINC001257893805 807244470 /nfs/dbraw/zinc/24/44/70/807244470.db2.gz ABZDQECDIMMJRV-KJFZJZGVSA-N 1 1 277.408 3.006 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCC[C@@H](C(=O)OC)[C@@H]3C)C[C@H](C1)C2 ZINC001257895009 807245627 /nfs/dbraw/zinc/24/56/27/807245627.db2.gz HIONUBWRYFCRKG-PQAIKRCPSA-N 1 1 291.435 3.395 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1CCN(C(C)=O)[C@@H](C)C1 ZINC001258049205 807275209 /nfs/dbraw/zinc/27/52/09/807275209.db2.gz BNCIYVZLCQBSCT-CABCVRRESA-N 1 1 268.445 3.288 20 30 CGEDMO CCCCCCCCCCC[C@@H](C)[NH2+]C[C@H](O)CN ZINC001258052908 807279179 /nfs/dbraw/zinc/27/91/79/807279179.db2.gz VJDDGCCJAVXMKH-HZPDHXFCSA-N 1 1 272.477 3.205 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@H]1C[C@H](OCCCC)C1(C)C ZINC001167960124 807285533 /nfs/dbraw/zinc/28/55/33/807285533.db2.gz SGOGGIAEEFTIRE-JYJNAYRXSA-N 1 1 283.456 3.229 20 30 CGEDMO CC(C)CC[C@H]1CCC[N@H+]1Cc1cc(C#N)ccn1 ZINC001168124204 807314050 /nfs/dbraw/zinc/31/40/50/807314050.db2.gz CIWRBPXTAMKFSW-MRXNPFEDSA-N 1 1 257.381 3.354 20 30 CGEDMO CCOC(=O)CCC[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001258127707 807318220 /nfs/dbraw/zinc/31/82/20/807318220.db2.gz BFTNMDVMAQZQCZ-AWEZNQCLSA-N 1 1 288.391 3.112 20 30 CGEDMO CCCCCCCCC[C@@H](C)[N@H+]1CCO[C@H](CO)C1 ZINC001258228536 807376712 /nfs/dbraw/zinc/37/67/12/807376712.db2.gz IHAMMFRXMXBUTL-CVEARBPZSA-N 1 1 271.445 3.209 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH2+][C@H](CC)CCCCC)C(=O)OCC ZINC001258438108 807450878 /nfs/dbraw/zinc/45/08/78/807450878.db2.gz LXBCZUIWAYEGPI-IIAWOOMASA-N 1 1 267.413 3.443 20 30 CGEDMO C=C1CC=C(F)C=C1[NH2+]C1CCC(C)(C(=O)OC)CC1 ZINC001168761402 807506461 /nfs/dbraw/zinc/50/64/61/807506461.db2.gz CWASVXMPSCOGFV-UHFFFAOYSA-N 1 1 279.355 3.395 20 30 CGEDMO C#CC[N@@H+]([C@@H]1CCc2ccccc21)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169037801 807557058 /nfs/dbraw/zinc/55/70/58/807557058.db2.gz UHOCJAIJXQEIEF-UWWQBHOKSA-N 1 1 298.386 3.055 20 30 CGEDMO CCCCCCC[C@H](CC(C)C)[N@@H+]1C[C@H](CO)[C@H](O)C1 ZINC001258714189 807565329 /nfs/dbraw/zinc/56/53/29/807565329.db2.gz KKSWIGWAKPWCMW-BRWVUGGUSA-N 1 1 285.472 3.047 20 30 CGEDMO CCCCCCC[C@@H](CC(C)C)[N@H+]1C[C@H](O)C[C@@H]1CO ZINC001258716296 807566372 /nfs/dbraw/zinc/56/63/72/807566372.db2.gz WSUBIAHDXYTWEB-GVDBMIGSSA-N 1 1 285.472 3.189 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC001169080923 807569343 /nfs/dbraw/zinc/56/93/43/807569343.db2.gz XKVAZTHCZMWFQD-WBVHZDCISA-N 1 1 259.393 3.285 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](Cc1ccccc1)C[C@H](C)C[NH3+] ZINC001258721365 807569705 /nfs/dbraw/zinc/56/97/05/807569705.db2.gz TZKNARRKLATWIZ-HZPDHXFCSA-N 1 1 260.425 3.438 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001258725785 807573562 /nfs/dbraw/zinc/57/35/62/807573562.db2.gz NEOONITWKCDUEW-KBPBESRZSA-N 1 1 282.428 3.330 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@]2(CCN2C(=O)OC(C)(C)C)C1 ZINC001258729924 807575814 /nfs/dbraw/zinc/57/58/14/807575814.db2.gz ZEARHZFRHQMVHB-PBHICJAKSA-N 1 1 294.439 3.426 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@]2(CCCC(=O)N2CC=C)C1 ZINC001258729967 807576046 /nfs/dbraw/zinc/57/60/46/807576046.db2.gz ZQSUFEHLGXKLRQ-SJLPKXTDSA-N 1 1 290.451 3.374 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001258730265 807576632 /nfs/dbraw/zinc/57/66/32/807576632.db2.gz CVUGVPPHOYCIBU-XIRDDKMYSA-N 1 1 279.424 3.001 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)c3ccccc3)C[C@H]2C1 ZINC001258729607 807576686 /nfs/dbraw/zinc/57/66/86/807576686.db2.gz WLILWQUAXJBVAS-RYQLBKOJSA-N 1 1 298.430 3.045 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]2O[C@@H](c3nc(C)no3)CC[C@H]21 ZINC001258729002 807576769 /nfs/dbraw/zinc/57/67/69/807576769.db2.gz SAEHTIWGSGAXPL-ZGKBOVNRSA-N 1 1 291.395 3.027 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@]2(C[C@@H](OCC=C)CO2)C1 ZINC001258730361 807577391 /nfs/dbraw/zinc/57/73/91/807577391.db2.gz FVWJYJGFXGKHKW-GVDBMIGSSA-N 1 1 279.424 3.167 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)[C@@H](Cc1ccccc1)C(=O)OC ZINC001258732414 807577538 /nfs/dbraw/zinc/57/75/38/807577538.db2.gz LIPJJUBSQAUNPS-ZBFHGGJFSA-N 1 1 275.392 3.057 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](Oc2cccnc2)C1 ZINC001258734758 807581122 /nfs/dbraw/zinc/58/11/22/807581122.db2.gz ISIWZVBHVKMADI-GDBMZVCRSA-N 1 1 260.381 3.280 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC001258735769 807582090 /nfs/dbraw/zinc/58/20/90/807582090.db2.gz BLCBWVSVVAWLPJ-UAGQMJEPSA-N 1 1 287.403 3.230 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC001258735679 807582270 /nfs/dbraw/zinc/58/22/70/807582270.db2.gz YXJCGMDTGCVZCW-QWHCGFSZSA-N 1 1 253.386 3.005 20 30 CGEDMO C=CCOC(=O)[C@H](CC(C)C)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC001258807458 807627226 /nfs/dbraw/zinc/62/72/26/807627226.db2.gz JFCMBGJSTUNFMM-ILXRZTDVSA-N 1 1 267.413 3.299 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170350973 807828576 /nfs/dbraw/zinc/82/85/76/807828576.db2.gz CYDQTONBTWIVII-CYBMUJFWSA-N 1 1 292.379 3.432 20 30 CGEDMO CN(C)CCC[N@H+](C)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170376999 807832817 /nfs/dbraw/zinc/83/28/17/807832817.db2.gz UEGUUICKNAZAOW-UHFFFAOYSA-N 1 1 299.462 3.274 20 30 CGEDMO CN(C)CCC[N@@H+](C)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170376999 807832824 /nfs/dbraw/zinc/83/28/24/807832824.db2.gz UEGUUICKNAZAOW-UHFFFAOYSA-N 1 1 299.462 3.274 20 30 CGEDMO CC#CCN(C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001170700633 807877639 /nfs/dbraw/zinc/87/76/39/807877639.db2.gz IJKKBCUSDAGNGY-UHFFFAOYSA-N 1 1 270.420 3.128 20 30 CGEDMO C[C@@H](Nc1cnccc1C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001262689724 807897106 /nfs/dbraw/zinc/89/71/06/807897106.db2.gz IGXXVLVUVSQMGW-HIFRSBDPSA-N 1 1 284.407 3.018 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](C)CC(C)(C)C ZINC001263812625 808006278 /nfs/dbraw/zinc/00/62/78/808006278.db2.gz QTPJVRMGXRCVST-HUUCEWRRSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)C1(CC)CCCCC1 ZINC001263821321 808007734 /nfs/dbraw/zinc/00/77/34/808007734.db2.gz QGJIPQOGDPTZGO-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(CC)CCCCC1 ZINC001263821321 808007741 /nfs/dbraw/zinc/00/77/41/808007741.db2.gz QGJIPQOGDPTZGO-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@](C)(F)[C@@H](F)C1 ZINC001171210064 808010408 /nfs/dbraw/zinc/01/04/08/808010408.db2.gz PUQQOBSNYGBNFT-KCXAZCMYSA-N 1 1 278.346 3.261 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@H]1c1cnccn1 ZINC001171220855 808011536 /nfs/dbraw/zinc/01/15/36/808011536.db2.gz FADMIOYHVGLFLL-KDOFPFPSSA-N 1 1 292.386 3.116 20 30 CGEDMO CC[N@@H+](Cc1ccccn1)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171225056 808011940 /nfs/dbraw/zinc/01/19/40/808011940.db2.gz XIJYRCRJXFXZFG-HNNXBMFYSA-N 1 1 279.387 3.406 20 30 CGEDMO Cc1noc([C@@H]2CCC[N@@H+]2[C@@H](C)Cc2cccc(C#N)c2)n1 ZINC001171222314 808012092 /nfs/dbraw/zinc/01/20/92/808012092.db2.gz FLMMVBKOYNDSKF-LRDDRELGSA-N 1 1 296.374 3.018 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CC1(C)C ZINC001171223260 808013042 /nfs/dbraw/zinc/01/30/42/808013042.db2.gz LQGJFHJGSPDBBZ-CJNGLKHVSA-N 1 1 256.393 3.467 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+](C)Cc1cncs1 ZINC001171230042 808014200 /nfs/dbraw/zinc/01/42/00/808014200.db2.gz RVBXNRLHZVADNJ-LBPRGKRZSA-N 1 1 271.389 3.078 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)c(C)o2)[C@H]1C ZINC001264137062 808039725 /nfs/dbraw/zinc/03/97/25/808039725.db2.gz SKYVHEVEEGBHCB-HIFRSBDPSA-N 1 1 290.407 3.055 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CCCCC)[C@@H]2C)C1 ZINC001264160568 808041902 /nfs/dbraw/zinc/04/19/02/808041902.db2.gz VGXLOJDHVCCNFZ-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@@H]2CCc3c(F)cccc3C2)C1 ZINC001171436515 808056176 /nfs/dbraw/zinc/05/61/76/808056176.db2.gz FWMYSYWNMNOQRZ-DZGCQCFKSA-N 1 1 257.352 3.028 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC/C=C\CC ZINC001264370955 808060112 /nfs/dbraw/zinc/06/01/12/808060112.db2.gz MYPIXOUZKOMKNI-FTJRJAGUSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CC[C@H](C(=O)OC)[N@H+]1CC[C@H]([C@H]2CCCC2(C)C)C1 ZINC001171459174 808064647 /nfs/dbraw/zinc/06/46/47/808064647.db2.gz SKEHMGBFPLNTPN-RRFJBIMHSA-N 1 1 279.424 3.252 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)C(CC)(CC)CC)[C@H]1CC ZINC001264621441 808082569 /nfs/dbraw/zinc/08/25/69/808082569.db2.gz XTJPORBBTXWBQR-JKSUJKDBSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C(CC)CC)C[C@@H]2C1 ZINC001264646262 808083382 /nfs/dbraw/zinc/08/33/82/808083382.db2.gz IBDSEZKUWFWVKF-OIISXLGYSA-N 1 1 292.467 3.025 20 30 CGEDMO Cc1cccc2c1CC[C@H]([N@H+]1CCC[C@@H](C#N)C1)C2 ZINC001171571470 808101298 /nfs/dbraw/zinc/10/12/98/808101298.db2.gz YORJLZQPIJYFGF-HOCLYGCPSA-N 1 1 254.377 3.088 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)C1=CCCCCC1 ZINC001265110275 808110859 /nfs/dbraw/zinc/11/08/59/808110859.db2.gz JFQYDOXPQSGTSB-UHFFFAOYSA-N 1 1 278.440 3.281 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)CCCNC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC001265121506 808111439 /nfs/dbraw/zinc/11/14/39/808111439.db2.gz VBBORIGXQUKEFK-ILXRZTDVSA-N 1 1 298.858 3.003 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C2CCC(F)CC2)C1 ZINC001265224711 808120636 /nfs/dbraw/zinc/12/06/36/808120636.db2.gz IPLHKUHLUPKSTA-GPANFISMSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001265297703 808126596 /nfs/dbraw/zinc/12/65/96/808126596.db2.gz WJJBDWZPNXIDEY-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC1(CC(=O)N[C@H]2CC[N@H+](C(C)C)C2)CCCCC1 ZINC001265308707 808128226 /nfs/dbraw/zinc/12/82/26/808128226.db2.gz YSYQFQRMZGQXHH-HNNXBMFYSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)CC2CCCCC2)C1 ZINC001265306340 808129192 /nfs/dbraw/zinc/12/91/92/808129192.db2.gz NWKABMCGGGYBFK-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@](C)(CC)CCCCC)C1 ZINC001265319259 808130662 /nfs/dbraw/zinc/13/06/62/808130662.db2.gz KLKQJGBPMKPHGR-DOTOQJQBSA-N 1 1 280.456 3.360 20 30 CGEDMO C[C@H]1C[C@H](N2CCC(C)(C#N)CC2)C[N@H+]1Cc1ccccc1 ZINC001171759930 808131629 /nfs/dbraw/zinc/13/16/29/808131629.db2.gz OLPRQWHVBSWFDI-WMZOPIPTSA-N 1 1 297.446 3.275 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C)CC)C1 ZINC001265384277 808137569 /nfs/dbraw/zinc/13/75/69/808137569.db2.gz FQBSPBYAIAUSRV-HOTGVXAUSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)C[N@H+](CC)C1CCC(C)(C(=O)OCC)CC1 ZINC001171956134 808158458 /nfs/dbraw/zinc/15/84/58/808158458.db2.gz MWIOALYFYUWBSL-UHFFFAOYSA-N 1 1 267.413 3.396 20 30 CGEDMO CC#CCCCC(=O)NC[C@H]1CCC[N@H+](C[C@H](C)CC)C1 ZINC001265588601 808159024 /nfs/dbraw/zinc/15/90/24/808159024.db2.gz HOGXZFWXLRIAFI-IAGOWNOFSA-N 1 1 292.467 3.054 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](CC)CCCCC)C1 ZINC001265596596 808159712 /nfs/dbraw/zinc/15/97/12/808159712.db2.gz GQIRUUQKYNLOFJ-DLBZAZTESA-N 1 1 292.467 3.054 20 30 CGEDMO CC1(C)C[C@H]([NH2+]CCCS)CCN1Cc1ccccc1 ZINC001171974392 808163205 /nfs/dbraw/zinc/16/32/05/808163205.db2.gz FMYVEOVMIGNXQO-MRXNPFEDSA-N 1 1 292.492 3.339 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC1(C)C ZINC001265652405 808164058 /nfs/dbraw/zinc/16/40/58/808164058.db2.gz VIRYDGRYKNYUOY-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C#C[C@@H](C)N[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171983794 808164874 /nfs/dbraw/zinc/16/48/74/808164874.db2.gz QBSRSAKZLBHFCM-WBVHZDCISA-N 1 1 270.420 3.041 20 30 CGEDMO C#C[C@@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)C(C)(C)C1 ZINC001171983794 808164879 /nfs/dbraw/zinc/16/48/79/808164879.db2.gz QBSRSAKZLBHFCM-WBVHZDCISA-N 1 1 270.420 3.041 20 30 CGEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](CC)CCCCC ZINC001265658196 808165823 /nfs/dbraw/zinc/16/58/23/808165823.db2.gz TYIBNYFGCLWVQW-IAGOWNOFSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CCC2CC2)C1 ZINC001265700653 808171091 /nfs/dbraw/zinc/17/10/91/808171091.db2.gz UDVCDMJQJSTGMR-DZGCQCFKSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CCC(=C)C)C1 ZINC001265705696 808171929 /nfs/dbraw/zinc/17/19/29/808171929.db2.gz MBQAKTSYIJQLGF-HOTGVXAUSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)CCCNC(=O)[C@]1(C)CC=CCC1 ZINC001266045996 808205527 /nfs/dbraw/zinc/20/55/27/808205527.db2.gz UDYZCZXYUAHRMF-MRXNPFEDSA-N 1 1 298.858 3.314 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)/C=C(/C)C2CC2)C1 ZINC001266094780 808210704 /nfs/dbraw/zinc/21/07/04/808210704.db2.gz ZWVAHZUATPPQSV-REZBVGGZSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)C2(CF)CCC2)C1 ZINC001266110374 808213335 /nfs/dbraw/zinc/21/33/35/808213335.db2.gz HBACLXCSGIVXRR-OAHLLOKOSA-N 1 1 296.430 3.015 20 30 CGEDMO CC(C)[NH+](CCN[C@@H](C)Cc1ccc(C#N)cc1)C(C)C ZINC001172290461 808216862 /nfs/dbraw/zinc/21/68/62/808216862.db2.gz PYAWFUMPUCZFAZ-INIZCTEOSA-N 1 1 287.451 3.198 20 30 CGEDMO CCCCCN1CC[NH+]([C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172306452 808221736 /nfs/dbraw/zinc/22/17/36/808221736.db2.gz KDFCWSZHCXOOIM-QGZVFWFLSA-N 1 1 299.462 3.297 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)c1ccccc1 ZINC001266198762 808226694 /nfs/dbraw/zinc/22/66/94/808226694.db2.gz NHFALNODRCKXQM-QGZVFWFLSA-N 1 1 286.419 3.237 20 30 CGEDMO C=C(C)CCC(=O)NCCC[C@H]1CCC[N@H+]1C/C=C/Cl ZINC001266219136 808228553 /nfs/dbraw/zinc/22/85/53/808228553.db2.gz DKGGIPIMMGQCKF-RNOHYWCBSA-N 1 1 298.858 3.456 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCNC(=O)c1ccc(Cl)cc1F ZINC001266295112 808236577 /nfs/dbraw/zinc/23/65/77/808236577.db2.gz ALBGWXDJQVKVDR-UHFFFAOYSA-N 1 1 298.789 3.107 20 30 CGEDMO C=C1CCC(C(=O)NCC[N@H+](C)CCCCCC)CC1 ZINC001266320270 808241324 /nfs/dbraw/zinc/24/13/24/808241324.db2.gz FSOCIWYOIUOJTA-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCC[N@@H+](C)Cc1csc(C)c1 ZINC001266320648 808241952 /nfs/dbraw/zinc/24/19/52/808241952.db2.gz ONBRQMHVEGOKNT-INIZCTEOSA-N 1 1 294.464 3.207 20 30 CGEDMO CC[C@@H](C)OCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001172345010 808244143 /nfs/dbraw/zinc/24/41/43/808244143.db2.gz BKXPFNXIAPWKHA-XFIYOXNOSA-N 1 1 264.413 3.347 20 30 CGEDMO CCCCCCC[C@H](CC)[N@@H+]1CCO[C@H](CN(C)C)C1 ZINC001172357221 808252156 /nfs/dbraw/zinc/25/21/56/808252156.db2.gz JOEJUSDXNFCNSN-DLBZAZTESA-N 1 1 284.488 3.388 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CCO[C@H](CN(C)C)C1 ZINC001172357221 808252158 /nfs/dbraw/zinc/25/21/58/808252158.db2.gz JOEJUSDXNFCNSN-DLBZAZTESA-N 1 1 284.488 3.388 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CCCO[C@@H](C(=O)OC)C1 ZINC001172360032 808255369 /nfs/dbraw/zinc/25/53/69/808255369.db2.gz HWWSGDAETHFNAF-HZPDHXFCSA-N 1 1 299.455 3.389 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CCn2nncc2C1 ZINC001172362325 808256920 /nfs/dbraw/zinc/25/69/20/808256920.db2.gz VWMCZFZGIJYCOG-CQSZACIVSA-N 1 1 264.417 3.233 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)/C=C\C(C)(C)C)C1 ZINC001266451182 808267475 /nfs/dbraw/zinc/26/74/75/808267475.db2.gz AXSXGNGAADAMCP-BLIJAFNYSA-N 1 1 292.467 3.335 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@@H](C[N@H+](C)CC(C)C)C1 ZINC001266460080 808269215 /nfs/dbraw/zinc/26/92/15/808269215.db2.gz WVLNMVJZGYPOTL-INIZCTEOSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[C@@H](C[N@H+](C)CCC)C2)CC1 ZINC001266465959 808270223 /nfs/dbraw/zinc/27/02/23/808270223.db2.gz GNXMXWWISDNPQP-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(CC(C)C)CCC1 ZINC001266489345 808275181 /nfs/dbraw/zinc/27/51/81/808275181.db2.gz BKKJLNDODKQEMQ-IYBDPMFKSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(CC(C)C)CCC1 ZINC001266489345 808275187 /nfs/dbraw/zinc/27/51/87/808275187.db2.gz BKKJLNDODKQEMQ-IYBDPMFKSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)C(CC)CC)C1 ZINC001266520506 808280473 /nfs/dbraw/zinc/28/04/73/808280473.db2.gz OIMFJRSCANYHDU-LSDHHAIUSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[N@@H+](CCNC(=O)[C@@H]1CCC=CCCC1)C1CC1 ZINC001266597084 808293849 /nfs/dbraw/zinc/29/38/49/808293849.db2.gz UXOHRISVESHFGF-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C1CCC(C(=O)NCC[N@@H+](CCC2CC2)C2CC2)CC1 ZINC001266609251 808295565 /nfs/dbraw/zinc/29/55/65/808295565.db2.gz GXUBBZQGWYMHQB-UHFFFAOYSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CCC)CCC1 ZINC001266652292 808301438 /nfs/dbraw/zinc/30/14/38/808301438.db2.gz WTJQWYXSRGQYNZ-MQVJKMGUSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCCF)C1 ZINC001266659775 808303080 /nfs/dbraw/zinc/30/30/80/808303080.db2.gz RSSBXJJKDPOPQT-CVEARBPZSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@H]1CCC[N@H+](CC[C@H](C)F)C1 ZINC001266751205 808311594 /nfs/dbraw/zinc/31/15/94/808311594.db2.gz CZMJWLMXEGNZMD-LSDHHAIUSA-N 1 1 298.446 3.165 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C1(CC)CCC1 ZINC001266853439 808323456 /nfs/dbraw/zinc/32/34/56/808323456.db2.gz MINHWQIMYSCSDH-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@@H]1CCCC[N@H+]1CC(=C)C ZINC001266853540 808323579 /nfs/dbraw/zinc/32/35/79/808323579.db2.gz NPXDNUCWUZWSLK-HOTGVXAUSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC12CCC2 ZINC001266855902 808326104 /nfs/dbraw/zinc/32/61/04/808326104.db2.gz HTMWBFGCNSNHNI-HZPDHXFCSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2(CCC)CC2)C1 ZINC001266895646 808330583 /nfs/dbraw/zinc/33/05/83/808330583.db2.gz QUHGPSJBQDPOQO-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2(C)CC=CC2)C1 ZINC001266895589 808330759 /nfs/dbraw/zinc/33/07/59/808330759.db2.gz QFVIAFHKNXOIIL-CVEARBPZSA-N 1 1 290.451 3.136 20 30 CGEDMO CCOC(=O)[C@@]1(C)CCCC[N@H+]([C@H](C)CCCC#N)C1 ZINC001172492269 808351939 /nfs/dbraw/zinc/35/19/39/808351939.db2.gz JULVLZJYTNXWER-ZBFHGGJFSA-N 1 1 280.412 3.124 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCOC[C@@H]1c1ccccc1 ZINC001172494516 808353743 /nfs/dbraw/zinc/35/37/43/808353743.db2.gz VEWZSABGKXMBLX-GDBMZVCRSA-N 1 1 258.365 3.142 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC001172496500 808354375 /nfs/dbraw/zinc/35/43/75/808354375.db2.gz NAZRLOUDDWMROY-CQSZACIVSA-N 1 1 295.427 3.012 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@](C)(F)CCCC)C1 ZINC001267109280 808359574 /nfs/dbraw/zinc/35/95/74/808359574.db2.gz XDQRVHCLXSTGLU-WBVHZDCISA-N 1 1 298.446 3.404 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@](C)(F)CCCC)C1 ZINC001267109274 808360753 /nfs/dbraw/zinc/36/07/53/808360753.db2.gz XDQRVHCLXSTGLU-NVXWUHKLSA-N 1 1 298.446 3.404 20 30 CGEDMO COc1cc2c(cc1OC)C[N@H+]([C@@H](C)CCCC#N)CC2 ZINC001172506888 808361632 /nfs/dbraw/zinc/36/16/32/808361632.db2.gz LGTVIAYWACXPJN-ZDUSSCGKSA-N 1 1 288.391 3.144 20 30 CGEDMO CCCCCCCC[C@H](CC)[NH2+][C@H]1CCOC1=O ZINC001172506172 808362150 /nfs/dbraw/zinc/36/21/50/808362150.db2.gz OYZQZSLJOGHIDO-KBPBESRZSA-N 1 1 255.402 3.421 20 30 CGEDMO CCCCCCCC[C@@H](CC)[N@H+]1CCO[C@@H](CO)C1 ZINC001172506010 808363209 /nfs/dbraw/zinc/36/32/09/808363209.db2.gz ZBQMNFFTCUUJGU-HZPDHXFCSA-N 1 1 271.445 3.209 20 30 CGEDMO C[C@@H](CCCC#N)N1CCC(C)([NH+]2CCCC2)CC1 ZINC001172509820 808366940 /nfs/dbraw/zinc/36/69/40/808366940.db2.gz RCPMPSWSGVBTNE-HNNXBMFYSA-N 1 1 263.429 3.019 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCNC(=O)c1cc(F)cc(Cl)c1 ZINC001267219133 808383351 /nfs/dbraw/zinc/38/33/51/808383351.db2.gz KRPLJTFTEFFOMG-UHFFFAOYSA-N 1 1 298.789 3.107 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)c1sccc1C)C(C)C ZINC001267228362 808387709 /nfs/dbraw/zinc/38/77/09/808387709.db2.gz OWFGBFXGNKBOPT-UHFFFAOYSA-N 1 1 294.464 3.463 20 30 CGEDMO C=CCCCC[N@H+](C)[C@H]1CCC[C@H](C(=O)OC)C1 ZINC001172625674 808404431 /nfs/dbraw/zinc/40/44/31/808404431.db2.gz XDFOUCMLQQOZMN-KBPBESRZSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CC[N@H+]1CC[C@H](CNC(=O)CCC2CCCCCC2)C1 ZINC001267298321 808406432 /nfs/dbraw/zinc/40/64/32/808406432.db2.gz OGTOALMJYNTCFU-QGZVFWFLSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)CC2CCCC2)C1 ZINC001267501028 808434922 /nfs/dbraw/zinc/43/49/22/808434922.db2.gz JPBDHOUEASVARE-OAHLLOKOSA-N 1 1 298.858 3.147 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(CCC)C(=O)c2ccoc2)C1 ZINC001267540410 808442237 /nfs/dbraw/zinc/44/22/37/808442237.db2.gz VKBZMRSTAYVUIX-MRXNPFEDSA-N 1 1 290.407 3.172 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)=C2CCCC2)C1 ZINC001267579635 808451566 /nfs/dbraw/zinc/45/15/66/808451566.db2.gz IJOCLFSVVKUZIX-INIZCTEOSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)C(=C)C)C1 ZINC001267672101 808469632 /nfs/dbraw/zinc/46/96/32/808469632.db2.gz ZFDWAEFIVZIRDW-MRXNPFEDSA-N 1 1 292.467 3.335 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC(C[N@@H+](C)CC(=C)C)CC1 ZINC001267745814 808483150 /nfs/dbraw/zinc/48/31/50/808483150.db2.gz GTQBTWGNIWWGPA-SFHVURJKSA-N 1 1 292.467 3.335 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)CCCCCC)C1 ZINC001267750963 808483400 /nfs/dbraw/zinc/48/34/00/808483400.db2.gz LETHQMWDNCNPTM-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2C)C1 ZINC001267767612 808486707 /nfs/dbraw/zinc/48/67/07/808486707.db2.gz ICYAKILTRLXSKU-OWCLPIDISA-N 1 1 280.456 3.146 20 30 CGEDMO C=CCCCC(=O)N(C)[C@@H]1CC[N@H+](CCCC(C)C)C1 ZINC001267772100 808488574 /nfs/dbraw/zinc/48/85/74/808488574.db2.gz SLXHDWFULSQGAQ-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC(=O)N(CC)[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001267782215 808492034 /nfs/dbraw/zinc/49/20/34/808492034.db2.gz RGYUVGOWPKRKLQ-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)/C=C(\C)C2CC2)C1 ZINC001267782041 808492601 /nfs/dbraw/zinc/49/26/01/808492601.db2.gz QAAIAXIXWUDDMX-LCJXNMAOSA-N 1 1 290.451 3.232 20 30 CGEDMO CC[N@H+](CCC#N)[C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173071336 808502800 /nfs/dbraw/zinc/50/28/00/808502800.db2.gz OJZWXAQJSZRLKH-UONOGXRCSA-N 1 1 295.427 3.010 20 30 CGEDMO CC[N@@H+](CCC#N)[C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173071336 808502805 /nfs/dbraw/zinc/50/28/05/808502805.db2.gz OJZWXAQJSZRLKH-UONOGXRCSA-N 1 1 295.427 3.010 20 30 CGEDMO CC#CC[N@H+](C)CCC1CCN(C(=O)[C@H](C)CCC)CC1 ZINC001268200004 808555660 /nfs/dbraw/zinc/55/56/60/808555660.db2.gz HXCXBZKPPAQJCS-MRXNPFEDSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)CC(C)(C)C)C1 ZINC001268236054 808566376 /nfs/dbraw/zinc/56/63/76/808566376.db2.gz AFHGOXXQQNWOFK-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC1(CC(=O)N(C)CC[N@@H+](C)CCCF)CCCCC1 ZINC001268252855 808569427 /nfs/dbraw/zinc/56/94/27/808569427.db2.gz HANMKZBXCQNNDC-UHFFFAOYSA-N 1 1 298.446 3.263 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001268265452 808573216 /nfs/dbraw/zinc/57/32/16/808573216.db2.gz NCNFFEHUHUXPNA-FVQHAEBGSA-N 1 1 292.467 3.193 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)/C(C)=C\CC)CC[C@H]21 ZINC001268266530 808573686 /nfs/dbraw/zinc/57/36/86/808573686.db2.gz ZGKHKBOPVCLBQC-FHASGNSBSA-N 1 1 290.451 3.232 20 30 CGEDMO CC[C@H]1CC[C@H]([N@H+]2CCc3ccc(C#N)cc3C2)C1 ZINC001173271689 808575684 /nfs/dbraw/zinc/57/56/84/808575684.db2.gz FXYUISSHVNCTCE-GUYCJALGSA-N 1 1 254.377 3.495 20 30 CGEDMO C=CCOC1CCC([N@H+]2CCc3cc(C#N)ccc3C2)CC1 ZINC001173321894 808611803 /nfs/dbraw/zinc/61/18/03/808611803.db2.gz RKYUYXBFHJIPQN-UHFFFAOYSA-N 1 1 296.414 3.430 20 30 CGEDMO C=CCOC1CCC([N@@H+]2CCC[C@H]2c2nc(C)no2)CC1 ZINC001173326665 808612450 /nfs/dbraw/zinc/61/24/50/808612450.db2.gz MIYIOXHGGSJAJS-NRXISQOPSA-N 1 1 291.395 3.029 20 30 CGEDMO N#CCC1CCC([N@H+]2CC[C@H](Oc3ccncc3)C2)CC1 ZINC001173337484 808618688 /nfs/dbraw/zinc/61/86/88/808618688.db2.gz LZWZTTDUURVALD-DQPZFDDXSA-N 1 1 285.391 3.007 20 30 CGEDMO N#CCC1CCC([NH+]2CC(Oc3ccccc3F)C2)CC1 ZINC001173338148 808618706 /nfs/dbraw/zinc/61/87/06/808618706.db2.gz ZJDJRLIROYCHPU-UHFFFAOYSA-N 1 1 288.366 3.361 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)C1CCC(C2CC2)CC1 ZINC001268755336 808623392 /nfs/dbraw/zinc/62/33/92/808623392.db2.gz WQJDLMCHHLQATC-ODIFPOPNSA-N 1 1 292.467 3.215 20 30 CGEDMO CCCC[N@@H+](CCC#N)[C@@H](C)CCCCC(=O)OC ZINC001173454596 808639590 /nfs/dbraw/zinc/63/95/90/808639590.db2.gz GQYZATTTZRYAGD-AWEZNQCLSA-N 1 1 268.401 3.124 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@H](NC(=O)c2ccccc2)C1 ZINC001268993328 808641382 /nfs/dbraw/zinc/64/13/82/808641382.db2.gz RFDYJLUTIGIQMS-KRWDZBQOSA-N 1 1 286.419 3.237 20 30 CGEDMO C[N@@H+](Cc1cnc2ccccn12)C1CCC(C)(C#N)CC1 ZINC001173594267 808649635 /nfs/dbraw/zinc/64/96/35/808649635.db2.gz XMPPIVMLUUPGCQ-UHFFFAOYSA-N 1 1 282.391 3.239 20 30 CGEDMO CC(C)[N@@H+](C1CCN(C)CC1)C1CCC(C)(C#N)CC1 ZINC001173597556 808650837 /nfs/dbraw/zinc/65/08/37/808650837.db2.gz YFDYZDBNNSBBMO-UHFFFAOYSA-N 1 1 277.456 3.263 20 30 CGEDMO C[N@H+]1CCN(C2CCC(C)(C#N)CC2)C2(CCCC2)C1 ZINC001173597437 808650873 /nfs/dbraw/zinc/65/08/73/808650873.db2.gz UACSSJWHMXECSO-UHFFFAOYSA-N 1 1 275.440 3.019 20 30 CGEDMO CC1(C#N)CCC([NH+]2CC(Oc3ccc(F)cc3)C2)CC1 ZINC001173598591 808651263 /nfs/dbraw/zinc/65/12/63/808651263.db2.gz RGFBTNIWZRQQFJ-UHFFFAOYSA-N 1 1 288.366 3.361 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001269193147 808652553 /nfs/dbraw/zinc/65/25/53/808652553.db2.gz BOYIYZGCAARNOT-OAHLLOKOSA-N 1 1 298.386 3.203 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)c1oc(C)cc1C ZINC001269215765 808655945 /nfs/dbraw/zinc/65/59/45/808655945.db2.gz QZWJEWMBZIYBEX-ZFWWWQNUSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](CC)CCCC)C1 ZINC001269215412 808656066 /nfs/dbraw/zinc/65/60/66/808656066.db2.gz GTANUMXLCPMHDB-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC(=O)N(C)[C@@H]1CC[N@H+]([C@@H]2CCc3ccccc32)C1 ZINC001269221540 808658426 /nfs/dbraw/zinc/65/84/26/808658426.db2.gz MIEDPJPQQWQSDS-SJLPKXTDSA-N 1 1 298.430 3.173 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@H]2CC[N@@H+]2[C@@H](C)c2ccccc2)C1 ZINC001269291444 808665554 /nfs/dbraw/zinc/66/55/54/808665554.db2.gz JGHGRNZHTQVURP-DOTOQJQBSA-N 1 1 298.430 3.294 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@H]2CC[N@@H+]2CC/C=C/CCC)C1 ZINC001269290492 808666006 /nfs/dbraw/zinc/66/60/06/808666006.db2.gz ATRZABNJMGBQEQ-FYCOFBDGSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](N(CC)C(=O)/C=C/C(C)(C)C)C1 ZINC001269313285 808668350 /nfs/dbraw/zinc/66/83/50/808668350.db2.gz LGJXQRDYTKVMGD-KGXGESDWSA-N 1 1 298.858 3.264 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](N(CC)C(=O)/C=C/C(C)(C)C)C1 ZINC001269313285 808668353 /nfs/dbraw/zinc/66/83/53/808668353.db2.gz LGJXQRDYTKVMGD-KGXGESDWSA-N 1 1 298.858 3.264 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](N(CC)C(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001269345433 808671109 /nfs/dbraw/zinc/67/11/09/808671109.db2.gz QUZLDKSRBFURMK-HOTGVXAUSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C2CC2)cc1 ZINC001269353005 808673597 /nfs/dbraw/zinc/67/35/97/808673597.db2.gz YOKCTNMMYHVZCB-GOSISDBHSA-N 1 1 298.430 3.334 20 30 CGEDMO CCCCCCC[NH+]1CC(N(C)C(=O)C2(C)CC=CC2)C1 ZINC001269842695 808706159 /nfs/dbraw/zinc/70/61/59/808706159.db2.gz CUXKOXQXTICXTB-UHFFFAOYSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC(=O)N1CCC2(CC[N@H+](CC=C(C)C)C2)CC1 ZINC001270323585 808725406 /nfs/dbraw/zinc/72/54/06/808725406.db2.gz XLWXGFZSMGXDKS-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC2(CC[N@H+](CCC)C2)CC1 ZINC001270336887 808726902 /nfs/dbraw/zinc/72/69/02/808726902.db2.gz RKIOVAQXAZBTMP-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCCCC)C2 ZINC001270504730 808732336 /nfs/dbraw/zinc/73/23/36/808732336.db2.gz KLVGLMUGXPLFKV-SFHVURJKSA-N 1 1 292.467 3.457 20 30 CGEDMO C=C(C)CCC(=O)N[C@@]1(C)CC[N@H+](CC/C=C\CC)C1 ZINC001270590501 808737769 /nfs/dbraw/zinc/73/77/69/808737769.db2.gz OYOXERLEQAHPAL-TUYSUELWSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)CCCCCC(C)C)C1 ZINC001270633649 808741018 /nfs/dbraw/zinc/74/10/18/808741018.db2.gz VUMBGYKJQSCUKQ-KRWDZBQOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=C)C)C2 ZINC001271430981 808770416 /nfs/dbraw/zinc/77/04/16/808770416.db2.gz ZMIWGAWIMQJQHL-XHSDSOJGSA-N 1 1 290.451 3.134 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CN(C(=O)[C@H](CC)CCCC)C[C@H]2C1 ZINC001271833248 808785949 /nfs/dbraw/zinc/78/59/49/808785949.db2.gz ZFDHGOARNBACOB-ZACQAIPSSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@H]2CN(C(=O)C(C)(C)C)C[C@H]2C1 ZINC001271892610 808788497 /nfs/dbraw/zinc/78/84/97/808788497.db2.gz UEIUMLJSUADEIZ-IYBDPMFKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)c1cccc(Cl)c1C ZINC001272021255 808794122 /nfs/dbraw/zinc/79/41/22/808794122.db2.gz XNLMSIVOZQEHQF-UHFFFAOYSA-N 1 1 294.826 3.228 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]2C[N@H+](CCCC=C)C[C@H]21 ZINC001272085258 808796008 /nfs/dbraw/zinc/79/60/08/808796008.db2.gz LKRNLDGXTMOCPF-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)/C=C(/C)CC)[C@@H]2C1 ZINC001272071487 808796752 /nfs/dbraw/zinc/79/67/52/808796752.db2.gz HYQFWWZOMLEZHG-USJBSMOHSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)/C=C(/C)CC)[C@@H]2C1 ZINC001272071487 808796756 /nfs/dbraw/zinc/79/67/56/808796756.db2.gz HYQFWWZOMLEZHG-USJBSMOHSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CCN1c2ccccc2[C@]2(CC[N@H+](C[C@@H](C)CC)C2)C1=O ZINC001272420240 808806793 /nfs/dbraw/zinc/80/67/93/808806793.db2.gz JYJUZDWAXRAAKD-HNAYVOBHSA-N 1 1 298.430 3.209 20 30 CGEDMO C=CCN1CC[C@@]2(CCC[N@H+](CC(CC)CC)CC2)C1=O ZINC001272421645 808807401 /nfs/dbraw/zinc/80/74/01/808807401.db2.gz LIBYFOUWIUNDHZ-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC(C)C ZINC001272702088 808821271 /nfs/dbraw/zinc/82/12/71/808821271.db2.gz OWKZGSAPWWEQBJ-IAGOWNOFSA-N 1 1 292.467 3.454 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](CC)C(C)C)CC1 ZINC001273464356 808846926 /nfs/dbraw/zinc/84/69/26/808846926.db2.gz BPTFCULNHWPCDX-SJORKVTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@]2(CCN(CCCC)C2=O)CC1 ZINC001273486069 808848057 /nfs/dbraw/zinc/84/80/57/808848057.db2.gz BTSSHANXYNVZAV-GOSISDBHSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@]12CC(=O)N(CC=C(C)C)C2 ZINC001273487293 808848971 /nfs/dbraw/zinc/84/89/71/808848971.db2.gz XCRWIBFKFAHFSV-GOSISDBHSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[C@@H]1C ZINC001273554303 808853868 /nfs/dbraw/zinc/85/38/68/808853868.db2.gz RWKXACJFUMUKAO-JKSUJKDBSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)/C(C)=C\CC ZINC001275094728 808907772 /nfs/dbraw/zinc/90/77/72/808907772.db2.gz SJLXDHZFNJWDTF-YMDFIQGPSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)CC1(C)CCCCC1 ZINC001275121538 808912391 /nfs/dbraw/zinc/91/23/91/808912391.db2.gz OQCSXZSKNOMXJD-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)C1CCC(=C)CC1 ZINC001275636207 808954145 /nfs/dbraw/zinc/95/41/45/808954145.db2.gz AAIYKAONCNIDCH-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)c1cccc(C(F)F)c1 ZINC001275707394 808958503 /nfs/dbraw/zinc/95/85/03/808958503.db2.gz UIVYMJHHIBQHOU-GFCCVEGCSA-N 1 1 296.361 3.250 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)C1(C)CCC(C)CC1 ZINC001275729062 808959585 /nfs/dbraw/zinc/95/95/85/808959585.db2.gz JQFJOWSRTNGYMC-ISXOHVOVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1ccoc1Cl ZINC001275819978 808968735 /nfs/dbraw/zinc/96/87/35/808968735.db2.gz WWRAHAODLRNERS-NEPJUHHUSA-N 1 1 298.814 3.338 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CCC[C@]2(CN(C)CCO2)C1 ZINC001276042970 808985746 /nfs/dbraw/zinc/98/57/46/808985746.db2.gz NPRSYBACUDQWHB-SFHVURJKSA-N 1 1 294.483 3.310 20 30 CGEDMO C=CCCC[N@H+]1C[C@H](NC(=O)C2CCCCC2)C(C)(C)C1 ZINC001276554726 809014984 /nfs/dbraw/zinc/01/49/84/809014984.db2.gz FRCYNTVGAJJMHH-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](NC(=O)CC)C(C)(C)C1 ZINC001276555763 809016256 /nfs/dbraw/zinc/01/62/56/809016256.db2.gz RUIHPJFJNMNSPM-CQSZACIVSA-N 1 1 268.445 3.193 20 30 CGEDMO N#Cc1ccc(Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC001174446868 809017421 /nfs/dbraw/zinc/01/74/21/809017421.db2.gz YMRNKMZZHCCLME-UHFFFAOYSA-N 1 1 293.370 3.134 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C2(CCCC)CC2)C(C)(C)C1 ZINC001276607537 809019862 /nfs/dbraw/zinc/01/98/62/809019862.db2.gz LDXDMIXCYSVHDV-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)CCC)C[C@@]2(C)C1 ZINC001276902341 809041455 /nfs/dbraw/zinc/04/14/55/809041455.db2.gz VTMOQNDAMRFJIX-NXHRZFHOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@@H]2C[C@@]21C(=O)N(CC)C(C)C ZINC001276886057 809042186 /nfs/dbraw/zinc/04/21/86/809042186.db2.gz UWNVXZNJUNODPR-WBVHZDCISA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CC[N@@H+]2CCC(C)(C)C)CCC1 ZINC001276922852 809045398 /nfs/dbraw/zinc/04/53/98/809045398.db2.gz CDOQPCKAANXQIQ-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccoc1CCC ZINC001276956824 809049730 /nfs/dbraw/zinc/04/97/30/809049730.db2.gz OGEZMSXIZREEHF-CQSZACIVSA-N 1 1 290.407 3.002 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)C1(C2CCCCC2)CC1 ZINC001276964665 809050312 /nfs/dbraw/zinc/05/03/12/809050312.db2.gz VQGKGKSNFUSFMJ-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)C1(C2CCCCC2)CC1 ZINC001276964665 809050320 /nfs/dbraw/zinc/05/03/20/809050320.db2.gz VQGKGKSNFUSFMJ-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C[C@H](CC(=O)NC[C@H]1CC[N@@H+]1CC(=C)C)c1ccccc1 ZINC001276978462 809051832 /nfs/dbraw/zinc/05/18/32/809051832.db2.gz MDXAEQSAVAUTSL-SJLPKXTDSA-N 1 1 298.430 3.113 20 30 CGEDMO CCCCCCCNC(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC001277330797 809070203 /nfs/dbraw/zinc/07/02/03/809070203.db2.gz QLDIYVIXSNFMBM-QGZVFWFLSA-N 1 1 295.471 3.084 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC([N@@H+](C)CCC(=C)C)CC1 ZINC001277403769 809072334 /nfs/dbraw/zinc/07/23/34/809072334.db2.gz OOEMCLBBPSBXOG-UHFFFAOYSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)C[N@H+](CC1CC1)C1CCN(C(=O)CCC)CC1 ZINC001277382383 809073380 /nfs/dbraw/zinc/07/33/80/809073380.db2.gz LWVAMEOCZOMWEI-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC001277422701 809074870 /nfs/dbraw/zinc/07/48/70/809074870.db2.gz HRARHVKSOCJKGY-OAHLLOKOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@]1(C)CC[N@H+](C/C=C/Cl)C1 ZINC001278394594 809130319 /nfs/dbraw/zinc/13/03/19/809130319.db2.gz BZVSWCREOUOQLJ-DHINHOHASA-N 1 1 296.842 3.088 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@]1(C)CC[N@@H+](C/C=C/Cl)C1 ZINC001278394594 809130324 /nfs/dbraw/zinc/13/03/24/809130324.db2.gz BZVSWCREOUOQLJ-DHINHOHASA-N 1 1 296.842 3.088 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)[C@H](CC)CC(C)C)C1 ZINC001278437200 809133904 /nfs/dbraw/zinc/13/39/04/809133904.db2.gz AANXWKOMEOSFCN-WBVHZDCISA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC(=O)NC[C@@]1(C)CCC[N@H+](CCCCC)C1 ZINC001278647164 809148454 /nfs/dbraw/zinc/14/84/54/809148454.db2.gz IKBAKMHBVHELDZ-QGZVFWFLSA-N 1 1 280.456 3.361 20 30 CGEDMO C=CCCC(=O)NC[C@]1(C)CCC[N@H+](CCCCC)C1 ZINC001278647163 809148581 /nfs/dbraw/zinc/14/85/81/809148581.db2.gz IKBAKMHBVHELDZ-KRWDZBQOSA-N 1 1 280.456 3.361 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C(=O)[C@H]1C[C@@H]1C(C)C)C(C)C ZINC001278926174 809156712 /nfs/dbraw/zinc/15/67/12/809156712.db2.gz BVGKACMJRNNTDX-SJORKVTESA-N 1 1 294.483 3.414 20 30 CGEDMO C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)/C=C(\C)CC)C2 ZINC001279222381 809167893 /nfs/dbraw/zinc/16/78/93/809167893.db2.gz QPLIGZFQEQEVFT-HIQSPNRXSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2c[nH]c(=O)c3ccccc23)C1 ZINC001174891188 809192309 /nfs/dbraw/zinc/19/23/09/809192309.db2.gz QDVHLNWNHWCHPW-CYBMUJFWSA-N 1 1 268.360 3.338 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)CC[C@H](C)CC)CC1 ZINC001280758495 809197580 /nfs/dbraw/zinc/19/75/80/809197580.db2.gz AVRZVYUUYFYLRM-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C1CC1 ZINC001281767665 809220017 /nfs/dbraw/zinc/22/00/17/809220017.db2.gz CMSRDZNRBLEVSP-GOSISDBHSA-N 1 1 298.430 3.078 20 30 CGEDMO C=C(C)CC[N@H+](CC)CC1CCN(C(=O)/C(C)=C\C)CC1 ZINC001281830526 809221362 /nfs/dbraw/zinc/22/13/62/809221362.db2.gz JHIBAUNWZKGOLZ-SOFYXZRVSA-N 1 1 292.467 3.479 20 30 CGEDMO C#CCCCCC(=O)N1CCC[C@H]1C[N@H+](C)CCC(C)C ZINC001281931251 809223597 /nfs/dbraw/zinc/22/35/97/809223597.db2.gz YSCYHMVRKWVUMJ-KRWDZBQOSA-N 1 1 292.467 3.149 20 30 CGEDMO C#CCCCCC(=O)N1CCC[C@H]1C[N@H+](C)C[C@H](C)CC ZINC001281927621 809223649 /nfs/dbraw/zinc/22/36/49/809223649.db2.gz AFJHXBDJKRHPLN-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@](C)(CC)CCC ZINC001281965900 809226518 /nfs/dbraw/zinc/22/65/18/809226518.db2.gz YKKJIZDZFZFUBR-FUHWJXTLSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CC1CCCC1 ZINC001282344345 809242192 /nfs/dbraw/zinc/24/21/92/809242192.db2.gz VPTRZOXOHLDMPF-GJZGRUSLSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H](C)[N@@H+](C)CC1=CCCCC1 ZINC001282444557 809248460 /nfs/dbraw/zinc/24/84/60/809248460.db2.gz SUDDHCZHFBNWBE-CQSZACIVSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1cc(C)[nH]c1C ZINC001282467875 809250035 /nfs/dbraw/zinc/25/00/35/809250035.db2.gz KCCXAKNGRDMESC-KGLIPLIRSA-N 1 1 291.439 3.036 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)c1cc2ccccc2[nH]1 ZINC001282495308 809251046 /nfs/dbraw/zinc/25/10/46/809251046.db2.gz SZWCDPDTGHCGGS-CQSZACIVSA-N 1 1 299.418 3.184 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CC(C)C)CC1(C)C ZINC001282819456 809263505 /nfs/dbraw/zinc/26/35/05/809263505.db2.gz BAOSFTTXYLTYEH-PBHICJAKSA-N 1 1 280.456 3.071 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@@H](C)C(CC)CC)C(C)(C)C1 ZINC001282812654 809263739 /nfs/dbraw/zinc/26/37/39/809263739.db2.gz PBNVZODUIIXVIC-HOCLYGCPSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)C2(C)CC=CC2)C(C)(C)C1 ZINC001282823185 809265051 /nfs/dbraw/zinc/26/50/51/809265051.db2.gz VZMQFLDYPIPDDN-OAHLLOKOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC001175103314 809273301 /nfs/dbraw/zinc/27/33/01/809273301.db2.gz IKLACDSJWLDMGL-ZIAGYGMSSA-N 1 1 296.208 3.133 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C1CCN(C(=O)C2(CC)CC2)CC1 ZINC001283324753 809275480 /nfs/dbraw/zinc/27/54/80/809275480.db2.gz DMVNUKCXZJQJHY-OAHLLOKOSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H](C)CCC)CCC[C@H]12 ZINC001284044149 809294405 /nfs/dbraw/zinc/29/44/05/809294405.db2.gz IQZNJXGUZNXONY-HLLBOEOZSA-N 1 1 278.440 3.112 20 30 CGEDMO CC(C)C#CC(=O)N[C@@H]1CCC[N@H+](CCCC(C)C)[C@@H]1C ZINC001284121679 809296962 /nfs/dbraw/zinc/29/69/62/809296962.db2.gz LAOHDLYYDHSKRP-IAGOWNOFSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CC=C(C)C)[C@@H]1C ZINC001284128894 809297485 /nfs/dbraw/zinc/29/74/85/809297485.db2.gz DXQPKYYTMWSDSX-HUUCEWRRSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)[C@H](C)c1ccccc1)C(C)C ZINC001284559004 809309540 /nfs/dbraw/zinc/30/95/40/809309540.db2.gz SLFRSXWMUCFQBP-MRXNPFEDSA-N 1 1 288.435 3.145 20 30 CGEDMO C=C(C)C[NH+]1C[C@]2(C)CN(Cc3ccccc3)C[C@@]2(C)C1 ZINC001175382656 809385815 /nfs/dbraw/zinc/38/58/15/809385815.db2.gz UCWOCSSZNNZYQZ-RTBURBONSA-N 1 1 284.447 3.407 20 30 CGEDMO N#Cc1ccnc(NC2=CC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001175505005 809432648 /nfs/dbraw/zinc/43/26/48/809432648.db2.gz JBGSYKWNAUVKPX-UHFFFAOYSA-N 1 1 290.370 3.155 20 30 CGEDMO N#Cc1cncc(NC2=CC[N@@H+](Cc3ccccc3)CC2)c1 ZINC001175505117 809433025 /nfs/dbraw/zinc/43/30/25/809433025.db2.gz KWABKYHLOAFUTP-UHFFFAOYSA-N 1 1 290.370 3.155 20 30 CGEDMO CC[C@@H]([NH2+]Cc1cc(C#N)ccn1)c1ccccc1OC ZINC001175559559 809450904 /nfs/dbraw/zinc/45/09/04/809450904.db2.gz FDGGCAIZYSAFGW-MRXNPFEDSA-N 1 1 281.359 3.203 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)c1ccc2ccccc2c1 ZINC001297377853 809515969 /nfs/dbraw/zinc/51/59/69/809515969.db2.gz BLZXTDCMHJJMHR-UHFFFAOYSA-N 1 1 296.414 3.420 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)c1sccc1SC ZINC001297373317 809516211 /nfs/dbraw/zinc/51/62/11/809516211.db2.gz ROKKRFWQZIDHDM-UHFFFAOYSA-N 1 1 298.477 3.050 20 30 CGEDMO N#CC1(CC[N@H+]2CCOC[C@@H]2CC2CC2)CCCCC1 ZINC001176401777 809687498 /nfs/dbraw/zinc/68/74/98/809687498.db2.gz JKALLCPRERFZLS-INIZCTEOSA-N 1 1 276.424 3.351 20 30 CGEDMO CC(C)(C)[C@H]1CC[N@@H+](CCCC(C)(C)C#N)CCO1 ZINC001176996368 809773046 /nfs/dbraw/zinc/77/30/46/809773046.db2.gz UWAOXPFJKYQNRC-CQSZACIVSA-N 1 1 266.429 3.453 20 30 CGEDMO CC(C)(C)[C@@H]1CC[N@@H+](CCc2ccc(C#N)cc2)CCO1 ZINC001176996427 809773818 /nfs/dbraw/zinc/77/38/18/809773818.db2.gz WRGVAODBPOMQEC-KRWDZBQOSA-N 1 1 286.419 3.238 20 30 CGEDMO C#CCOc1ccccc1CNc1ccc(CC)c[nH+]1 ZINC001179434310 809921246 /nfs/dbraw/zinc/92/12/46/809921246.db2.gz YEGDVSXMDWUSBO-UHFFFAOYSA-N 1 1 266.344 3.268 20 30 CGEDMO C#C[C@H]1CC[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)CC1 ZINC001179506916 809926597 /nfs/dbraw/zinc/92/65/97/809926597.db2.gz LOTUMCNPTZUKCH-XYPYZODXSA-N 1 1 281.758 3.466 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2N(C)C)CC1 ZINC001180030154 809968263 /nfs/dbraw/zinc/96/82/63/809968263.db2.gz JBWXGSFHKHMWPH-AWEZNQCLSA-N 1 1 271.408 3.246 20 30 CGEDMO C#CC[N@H+](CC#CC)Cc1ccc(OC)c(C(C)(C)C)c1 ZINC001180203167 809983183 /nfs/dbraw/zinc/98/31/83/809983183.db2.gz LFEYKFHBPUIBDL-UHFFFAOYSA-N 1 1 283.415 3.451 20 30 CGEDMO C#CC[N@@H+](CC#CC)Cc1ccc(OC)c(C(C)(C)C)c1 ZINC001180203167 809983186 /nfs/dbraw/zinc/98/31/86/809983186.db2.gz LFEYKFHBPUIBDL-UHFFFAOYSA-N 1 1 283.415 3.451 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@](C)(OC)C1CC1 ZINC001180280935 809988977 /nfs/dbraw/zinc/98/89/77/809988977.db2.gz QUFMXZLITVMLME-GOSISDBHSA-N 1 1 284.403 3.361 20 30 CGEDMO C=CCC[C@H]([NH2+][C@H]1CC(C)(C)C[C@@H]1C)C(=O)OCC ZINC001181826910 810075152 /nfs/dbraw/zinc/07/51/52/810075152.db2.gz HZFXOHDKZTWOFP-IHRRRGAJSA-N 1 1 267.413 3.299 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC001181869474 810077811 /nfs/dbraw/zinc/07/78/11/810077811.db2.gz CGXCRWPJCFJWQV-ROUUACIJSA-N 1 1 251.373 3.159 20 30 CGEDMO C=CCCSCCNc1[nH+]cnc2[nH]cc(CC)c21 ZINC001186966450 810375591 /nfs/dbraw/zinc/37/55/91/810375591.db2.gz WRLRNXXQVKWLHJ-UHFFFAOYSA-N 1 1 276.409 3.193 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)/C(C)=C\CC)[C@@H]2C1 ZINC001187101042 810384286 /nfs/dbraw/zinc/38/42/86/810384286.db2.gz HUJCOGYXWCKMRU-PRHIBIOJSA-N 1 1 290.451 3.230 20 30 CGEDMO Cc1cc(F)c(C#N)c(NCC[N@H+]2CCC(C)(C)C2)c1 ZINC001187862295 810429671 /nfs/dbraw/zinc/42/96/71/810429671.db2.gz RSLHXFXTQUXBPA-UHFFFAOYSA-N 1 1 275.371 3.150 20 30 CGEDMO Cc1cc(N)ccc1Nc1sc2c(c1C#N)CC[N@H+](C)C2 ZINC001214106103 815369907 /nfs/dbraw/zinc/36/99/07/815369907.db2.gz WUDFCIIZHISITP-UHFFFAOYSA-N 1 1 298.415 3.242 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC001188665623 810502312 /nfs/dbraw/zinc/50/23/12/810502312.db2.gz PQDOOXBBLYUPHQ-RDJZCZTQSA-N 1 1 286.419 3.188 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)c2cc(C)oc2C)C1 ZINC001188821677 810516976 /nfs/dbraw/zinc/51/69/76/810516976.db2.gz STHVDKKBMMSUOT-OAHLLOKOSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)c2occc2C)C1 ZINC001188863596 810519603 /nfs/dbraw/zinc/51/96/03/810519603.db2.gz UGIZRUJSAVDNMW-CABCVRRESA-N 1 1 290.407 3.089 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2C[N@H+](CCCCC)C[C@H]21 ZINC001188908512 810522948 /nfs/dbraw/zinc/52/29/48/810522948.db2.gz GJNZTLZVKAPVJL-IXDOHACOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)CC)C1 ZINC001188924871 810523301 /nfs/dbraw/zinc/52/33/01/810523301.db2.gz IREZUUJITKUTTF-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CCCC)C1 ZINC001188936082 810524734 /nfs/dbraw/zinc/52/47/34/810524734.db2.gz YNBCIQMJRCPIGW-HUUCEWRRSA-N 1 1 266.429 3.064 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)CCC)C1 ZINC001189271098 810552507 /nfs/dbraw/zinc/55/25/07/810552507.db2.gz XDFRTTUUGOQXBO-GXTWGEPZSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)CCC)C1 ZINC001189271098 810552510 /nfs/dbraw/zinc/55/25/10/810552510.db2.gz XDFRTTUUGOQXBO-GXTWGEPZSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C[C@H](C)CCC)C1 ZINC001189287402 810556106 /nfs/dbraw/zinc/55/61/06/810556106.db2.gz DUOVFWYFMDQQDT-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]([N@H+](C)[C@@H]2CCc3ccccc32)C1 ZINC001189319287 810558731 /nfs/dbraw/zinc/55/87/31/810558731.db2.gz WDZOZYBFHNPBRJ-FUHWJXTLSA-N 1 1 298.430 3.173 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)CCC)[C@@H]2C1 ZINC001189576855 810578983 /nfs/dbraw/zinc/57/89/83/810578983.db2.gz QCQDUXZKTBAXAY-IXDOHACOSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CCCCCC(=O)N1CC[C@H]([N@H+](C)CCCCCC)C1 ZINC001189751918 810588801 /nfs/dbraw/zinc/58/88/01/810588801.db2.gz KKYCREIHOKWEDA-KRWDZBQOSA-N 1 1 292.467 3.293 20 30 CGEDMO C#CCCCC(=O)N1CC[C@@H]([N@H+](C)CC/C=C/CCC)C1 ZINC001189910441 810595449 /nfs/dbraw/zinc/59/54/49/810595449.db2.gz PFZMPGGIPLBYAF-KBOKABMXSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[C@H]([N@@H+](C)CCC2CC2)C1 ZINC001190354735 810622384 /nfs/dbraw/zinc/62/23/84/810622384.db2.gz OVVJUXUGMHGCAH-KRWDZBQOSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@@H]([N@H+](C)C[C@H](C)CC)C1 ZINC001190388232 810625242 /nfs/dbraw/zinc/62/52/42/810625242.db2.gz LYCLJXUSUAOXSO-HUUCEWRRSA-N 1 1 280.456 3.168 20 30 CGEDMO CCCCCCCCNC(=O)NC[C@@H]1CCC[N@H+]1CC ZINC001191047166 810666332 /nfs/dbraw/zinc/66/63/32/810666332.db2.gz XDXQJCYYRCXWTB-HNNXBMFYSA-N 1 1 283.460 3.130 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@](C)(F)CCCC)C1 ZINC001191039934 810666369 /nfs/dbraw/zinc/66/63/69/810666369.db2.gz HIFOEGKGERJOOG-DOTOQJQBSA-N 1 1 298.446 3.404 20 30 CGEDMO C=CCCCC[N@H+](CCO)[C@H]1CCc2ccccc21 ZINC001191306906 810700234 /nfs/dbraw/zinc/70/02/34/810700234.db2.gz REGAMGAFPKAJGV-KRWDZBQOSA-N 1 1 259.393 3.325 20 30 CGEDMO Cc1ccc(CN2CC[N@H+](C)CC23CCCCC3)cc1C#N ZINC001191304803 810700277 /nfs/dbraw/zinc/70/02/77/810700277.db2.gz CXWVVEHDUYODFG-UHFFFAOYSA-N 1 1 297.446 3.317 20 30 CGEDMO Cc1ccc(C[N@H+]2CCN(C)CC23CCCCC3)cc1C#N ZINC001191304803 810700285 /nfs/dbraw/zinc/70/02/85/810700285.db2.gz CXWVVEHDUYODFG-UHFFFAOYSA-N 1 1 297.446 3.317 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCN(C)CC23CCCCC3)cc1C#N ZINC001191304803 810700293 /nfs/dbraw/zinc/70/02/93/810700293.db2.gz CXWVVEHDUYODFG-UHFFFAOYSA-N 1 1 297.446 3.317 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC001191321184 810700829 /nfs/dbraw/zinc/70/08/29/810700829.db2.gz XEVMXJQMDCUCIU-BBWFWOEESA-N 1 1 295.467 3.373 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC001191508636 810722267 /nfs/dbraw/zinc/72/22/67/810722267.db2.gz DMZCENQCXGVSAX-KGLIPLIRSA-N 1 1 267.413 3.395 20 30 CGEDMO CCO[C@H]1C[C@@H]([N@@H+](C)CCc2ccc(C#N)cc2)C12CCC2 ZINC001191549516 810724374 /nfs/dbraw/zinc/72/43/74/810724374.db2.gz COVQYAKIYVBWDV-MSOLQXFVSA-N 1 1 298.430 3.380 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)CCCC2CCC2)C1 ZINC001191727090 810732415 /nfs/dbraw/zinc/73/24/15/810732415.db2.gz FUCCWKTUPDMAII-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CCCCCCC(=O)N1CC[C@@H]([N@@H+](C)CCCC=C)C1 ZINC001191763197 810738109 /nfs/dbraw/zinc/73/81/09/810738109.db2.gz JDSUHPLUWYJDAU-QGZVFWFLSA-N 1 1 290.451 3.069 20 30 CGEDMO C#CCCCCCC(=O)N1CC[C@@H]([N@H+](C)CCCCC)C1 ZINC001191762346 810738261 /nfs/dbraw/zinc/73/82/61/810738261.db2.gz BAVDBCWDHKDSMZ-QGZVFWFLSA-N 1 1 292.467 3.293 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[C@@H]([N@@H+](C)CCC(C)C)C1 ZINC001191889123 810753892 /nfs/dbraw/zinc/75/38/92/810753892.db2.gz BEHJVJULESJDOR-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[C@H]([N@@H+](C)CC=C(C)C)C1 ZINC001192161361 810771972 /nfs/dbraw/zinc/77/19/72/810771972.db2.gz IMGFNRWGNZPXBU-DOTOQJQBSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C1CCC(C(=O)N2CC[C@H]([N@H+](C)C[C@@H](F)CC)C2)CC1 ZINC001192180443 810772112 /nfs/dbraw/zinc/77/21/12/810772112.db2.gz IOFVHMTZSNYYFM-HOTGVXAUSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC[C@@H]([N@H+](C)CCCC(C)C)C2)C1 ZINC001192257353 810781495 /nfs/dbraw/zinc/78/14/95/810781495.db2.gz NCTSEXXBCWJHPG-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C2(CF)CCC2)C1 ZINC001192416574 810795274 /nfs/dbraw/zinc/79/52/74/810795274.db2.gz MVPDYOCVRQEHFF-CABCVRRESA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)CCCC(C)C)C1 ZINC001192489727 810802155 /nfs/dbraw/zinc/80/21/55/810802155.db2.gz JJDOJOXFJURONP-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001192514272 810804474 /nfs/dbraw/zinc/80/44/74/810804474.db2.gz WVBRVLVVOXGEKX-CABCVRRESA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)CC2CCCCCC2)C1 ZINC001192551859 810805921 /nfs/dbraw/zinc/80/59/21/810805921.db2.gz UQYJDKRTVURGLW-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)CC2CCCC2)C1 ZINC001192640551 810812926 /nfs/dbraw/zinc/81/29/26/810812926.db2.gz BPBMYEHLLYTCEK-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)CC2CCCC2)C1 ZINC001192640550 810813040 /nfs/dbraw/zinc/81/30/40/810813040.db2.gz BPBMYEHLLYTCEK-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CCC[N@H+](C)[C@@H]1CCN(C(=O)CCCCCC(C)C)C1 ZINC001192704270 810818547 /nfs/dbraw/zinc/81/85/47/810818547.db2.gz JVHJDXZEQQDTHS-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO CCCCCCC[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](CC)C1 ZINC001192949754 810833599 /nfs/dbraw/zinc/83/35/99/810833599.db2.gz PKURVVKAUIARRS-LSDHHAIUSA-N 1 1 283.460 3.129 20 30 CGEDMO CCCCCCC[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC001192953963 810834810 /nfs/dbraw/zinc/83/48/10/810834810.db2.gz WZKYUIGQTDOQHW-JYJNAYRXSA-N 1 1 297.487 3.375 20 30 CGEDMO C#CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)CCCCCC)C1 ZINC001192986066 810839328 /nfs/dbraw/zinc/83/93/28/810839328.db2.gz ALHMGFQBHJVVER-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)CC[C@H](C)CC)C1 ZINC001193025314 810843098 /nfs/dbraw/zinc/84/30/98/810843098.db2.gz CLPHKCRQEUWGGD-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CCCN1CC[NH+](Cc2ccc(CC(C)C)cc2)CC1 ZINC001193044930 810847485 /nfs/dbraw/zinc/84/74/85/810847485.db2.gz SEOXCWLOZWPCPL-UHFFFAOYSA-N 1 1 284.447 3.026 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@](C)(CC)CCC)C1 ZINC001193077911 810852090 /nfs/dbraw/zinc/85/20/90/810852090.db2.gz OPYGVGLKTJYFDW-DOTOQJQBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)CCC)C1 ZINC001193121952 810859726 /nfs/dbraw/zinc/85/97/26/810859726.db2.gz IBYFYRHBNRWAAJ-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](CCCCC)C(C)C)C1 ZINC001193350305 810876097 /nfs/dbraw/zinc/87/60/97/810876097.db2.gz OPOUYIQUCZDERV-IRXDYDNUSA-N 1 1 292.467 3.005 20 30 CGEDMO CCC[N@@H+](CCCC(C)(C)C#N)[C@@H](CC)C(=O)OCC ZINC001193364520 810879173 /nfs/dbraw/zinc/87/91/73/810879173.db2.gz MDLGUALUBUEQPV-AWEZNQCLSA-N 1 1 282.428 3.370 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)CC(C)C)C1 ZINC001193408646 810883991 /nfs/dbraw/zinc/88/39/91/810883991.db2.gz OKQVTWHLYXTRBW-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@H](C)C2)cc1 ZINC001193517170 810901884 /nfs/dbraw/zinc/90/18/84/810901884.db2.gz OUGYAHZADWQKFW-HNNXBMFYSA-N 1 1 284.403 3.119 20 30 CGEDMO CC[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)[C@@H]1C ZINC001193606054 810918380 /nfs/dbraw/zinc/91/83/80/810918380.db2.gz MTGVRJZBENVSMX-UKRRQHHQSA-N 1 1 285.391 3.007 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(C)cc2)C1 ZINC001193662247 810931927 /nfs/dbraw/zinc/93/19/27/810931927.db2.gz FFYWAUDZVNBJCY-QGZVFWFLSA-N 1 1 286.419 3.108 20 30 CGEDMO CCCCCCCOC(=O)N1C[C@@H]2C[N@H+](CCC)C[C@@H]2C1 ZINC001194004552 810999032 /nfs/dbraw/zinc/99/90/32/810999032.db2.gz UPKUKGKLZCOFKG-IYBDPMFKSA-N 1 1 296.455 3.367 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001194173380 811025943 /nfs/dbraw/zinc/02/59/43/811025943.db2.gz AJCCTJXYCNKRLE-WMZOPIPTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001194344538 811056648 /nfs/dbraw/zinc/05/66/48/811056648.db2.gz CJIRCUZIQONNGU-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCOCC[N@H+]1[C@H](C)C[C@@H](c2ccccc2)[C@@H]1C ZINC001194684970 811107152 /nfs/dbraw/zinc/10/71/52/811107152.db2.gz ZILFKUUSXIJMJS-HLLBOEOZSA-N 1 1 259.393 3.456 20 30 CGEDMO CCCCCCC[N@H+]1CCCN(C(=O)[C@H]2C[C@@H]2C)CC1 ZINC001194713838 811114906 /nfs/dbraw/zinc/11/49/06/811114906.db2.gz IAHZYSSRYSGXRR-HOTGVXAUSA-N 1 1 280.456 3.147 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC001195287174 811237903 /nfs/dbraw/zinc/23/79/03/811237903.db2.gz BEXUHWWFHAVFMU-KBPBESRZSA-N 1 1 267.413 3.395 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)CCC2CC2)CC1 ZINC001195337546 811244682 /nfs/dbraw/zinc/24/46/82/811244682.db2.gz HEDLRFKLKIJOTP-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](CCCc2cccc(OC)c2)C1 ZINC001195464518 811258604 /nfs/dbraw/zinc/25/86/04/811258604.db2.gz WKSWIYIOTMPNLS-KRWDZBQOSA-N 1 1 271.404 3.363 20 30 CGEDMO CCCCCCCC[N@@H+]1C[C@@H](C)N(CCOC)[C@@H](C)C1 ZINC001195508960 811265412 /nfs/dbraw/zinc/26/54/12/811265412.db2.gz PXYPWKJTDZVBFV-CALCHBBNSA-N 1 1 284.488 3.388 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC001196216787 811325634 /nfs/dbraw/zinc/32/56/34/811325634.db2.gz GAOZMAWACROORO-KGLIPLIRSA-N 1 1 282.428 3.188 20 30 CGEDMO C=CCCC[N@H+]1CCCN(C(=O)C[C@@H]2CC=CCC2)CC1 ZINC001196763404 811363871 /nfs/dbraw/zinc/36/38/71/811363871.db2.gz YYSQIMPOVWUGHE-QGZVFWFLSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC[N@H+](CC(CC)CC)CC1 ZINC001196828694 811370077 /nfs/dbraw/zinc/37/00/77/811370077.db2.gz ANPSSQVMUKYNPG-HZPDHXFCSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[N@H+](C[C@@H](C)CC)CC1 ZINC001196889324 811378303 /nfs/dbraw/zinc/37/83/03/811378303.db2.gz BTVWOMAWQSUICC-JKSUJKDBSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)CCC(C)(C)C)CC1 ZINC001197527813 811428530 /nfs/dbraw/zinc/42/85/30/811428530.db2.gz IKHSNMWSFWPQFF-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@H](C)[C@H](C)CC)CC1 ZINC001197596468 811431383 /nfs/dbraw/zinc/43/13/83/811431383.db2.gz IDDJFZLPZQLPNK-HZPDHXFCSA-N 1 1 280.456 3.169 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H]1C(=O)NC(C)(C)C ZINC001198000851 811471865 /nfs/dbraw/zinc/47/18/65/811471865.db2.gz KNTZRUSMJFLXBU-AWEZNQCLSA-N 1 1 268.445 3.336 20 30 CGEDMO CC#CC[N@H+]1CCCN(C(=O)[C@@H](CC)CCCCC)CC1 ZINC001198205268 811485050 /nfs/dbraw/zinc/48/50/50/811485050.db2.gz REGAFAGLFRPTEC-KRWDZBQOSA-N 1 1 292.467 3.151 20 30 CGEDMO CC#CC[N@@H+]1CCCN(C(=O)[C@@H](CC)CCCCC)CC1 ZINC001198205268 811485052 /nfs/dbraw/zinc/48/50/52/811485052.db2.gz REGAFAGLFRPTEC-KRWDZBQOSA-N 1 1 292.467 3.151 20 30 CGEDMO CC#CC[N@H+]1CCCN(C(=O)[C@H](CCCC)C(C)C)CC1 ZINC001198304644 811491741 /nfs/dbraw/zinc/49/17/41/811491741.db2.gz YJDZBAAYZDCSCI-QGZVFWFLSA-N 1 1 292.467 3.006 20 30 CGEDMO CC#CC[N@@H+]1CCCN(C(=O)[C@H](CCCC)C(C)C)CC1 ZINC001198304644 811491748 /nfs/dbraw/zinc/49/17/48/811491748.db2.gz YJDZBAAYZDCSCI-QGZVFWFLSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)C(=O)Nc1ccc(OC)cc1 ZINC001198457636 811505083 /nfs/dbraw/zinc/50/50/83/811505083.db2.gz GANRPZRAPJLLKI-CQSZACIVSA-N 1 1 290.407 3.310 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCO[C@H](c3ccccc3)CC2)C1 ZINC001198708562 811536637 /nfs/dbraw/zinc/53/66/37/811536637.db2.gz ZDYWKVHIJVKKAQ-OIISXLGYSA-N 1 1 270.376 3.142 20 30 CGEDMO CCCCCCCCC[N@H+]1C[C@H](F)C[C@@H](CO)C1 ZINC001201838880 811969909 /nfs/dbraw/zinc/96/99/09/811969909.db2.gz GBXRDLQZDYNAAK-HUUCEWRRSA-N 1 1 259.409 3.389 20 30 CGEDMO CCCCCCC[N@@H+]1Cc2c(cnn2C)[C@@H](COCC)C1 ZINC001201762803 811963161 /nfs/dbraw/zinc/96/31/61/811963161.db2.gz WAPUOFSELSSSSQ-OAHLLOKOSA-N 1 1 293.455 3.326 20 30 CGEDMO CCCCCCC[N@@H+]1Cc2ncn(C)c2[C@H](COCC)C1 ZINC001201762330 811963921 /nfs/dbraw/zinc/96/39/21/811963921.db2.gz GNZQLOYOBQNYMO-HNNXBMFYSA-N 1 1 293.455 3.326 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@](O)(CF)[C@@H](F)C1 ZINC001201804177 811966907 /nfs/dbraw/zinc/96/69/07/811966907.db2.gz FEXMOSZXXJTBCB-KBPBESRZSA-N 1 1 263.372 3.091 20 30 CGEDMO CCCCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)C ZINC001201846888 811971253 /nfs/dbraw/zinc/97/12/53/811971253.db2.gz OSYSMFGXRGQUKH-FVQHAEBGSA-N 1 1 294.483 3.439 20 30 CGEDMO CCCCCCCCC[N@H+]1CCC(=O)N2CCC[C@@H]2C1 ZINC001201852854 811973129 /nfs/dbraw/zinc/97/31/29/811973129.db2.gz OUHLHTDFFDNSQY-MRXNPFEDSA-N 1 1 280.456 3.434 20 30 CGEDMO CCCCCCCCCC[N@H+]1C[C@@H]2CCNC(=O)[C@@H]2C1 ZINC001201875090 811973759 /nfs/dbraw/zinc/97/37/59/811973759.db2.gz PDKJEEJPKGQHPV-JKSUJKDBSA-N 1 1 280.456 3.195 20 30 CGEDMO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](CCC(C)(C)C)C2 ZINC001202077846 812011182 /nfs/dbraw/zinc/01/11/82/812011182.db2.gz MJRWVPUFLDQNGC-NVXWUHKLSA-N 1 1 281.440 3.249 20 30 CGEDMO N#Cc1csc(CNc2ccc3[nH]c[nH+]c3c2)c1 ZINC001202349610 812069099 /nfs/dbraw/zinc/06/90/99/812069099.db2.gz BWHUXTMZXUXVSH-UHFFFAOYSA-N 1 1 254.318 3.108 20 30 CGEDMO N#Cc1ccccc1O[C@@H]1CCC[N@H+](CCC(F)(F)F)C1 ZINC001202352239 812070898 /nfs/dbraw/zinc/07/08/98/812070898.db2.gz FCSCQYGDVPFDKF-CYBMUJFWSA-N 1 1 298.308 3.354 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccc(NC(C)=O)cc1 ZINC001203930415 812495042 /nfs/dbraw/zinc/49/50/42/812495042.db2.gz ZFWQDTFCJPMFFJ-UHFFFAOYSA-N 1 1 260.381 3.433 20 30 CGEDMO CC(=O)Oc1ccc(C[N@H+](CCC#N)C2CCCC2)cc1 ZINC001203952308 812500723 /nfs/dbraw/zinc/50/07/23/812500723.db2.gz TYDHKPBLTZXQMH-UHFFFAOYSA-N 1 1 286.375 3.270 20 30 CGEDMO CC(=O)Oc1ccc(C[N@@H+](CCC#N)C2CCCC2)cc1 ZINC001203952308 812500727 /nfs/dbraw/zinc/50/07/27/812500727.db2.gz TYDHKPBLTZXQMH-UHFFFAOYSA-N 1 1 286.375 3.270 20 30 CGEDMO CCOc1ccc(C[N@H+]2CCC[C@H](C#N)CC2)cc1 ZINC001203968890 812504443 /nfs/dbraw/zinc/50/44/43/812504443.db2.gz PAEWLMINJLSNEM-AWEZNQCLSA-N 1 1 258.365 3.211 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)cc1F ZINC001204210998 812575295 /nfs/dbraw/zinc/57/52/95/812575295.db2.gz OLPREOHZTDPPNW-OJNYZHBWSA-N 1 1 262.303 3.231 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)cc1F ZINC001204210998 812575298 /nfs/dbraw/zinc/57/52/98/812575298.db2.gz OLPREOHZTDPPNW-OJNYZHBWSA-N 1 1 262.303 3.231 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)ccc1F ZINC001204219573 812577238 /nfs/dbraw/zinc/57/72/38/812577238.db2.gz DSTAIJQEFWNAMD-OJNYZHBWSA-N 1 1 262.303 3.231 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)ccc1F ZINC001204219573 812577240 /nfs/dbraw/zinc/57/72/40/812577240.db2.gz DSTAIJQEFWNAMD-OJNYZHBWSA-N 1 1 262.303 3.231 20 30 CGEDMO C=CC[N@H+](Cc1ccc(O)cc1O)C1CCCCC1 ZINC001204277870 812593454 /nfs/dbraw/zinc/59/34/54/812593454.db2.gz MZCCTIKZQKVDNF-UHFFFAOYSA-N 1 1 261.365 3.419 20 30 CGEDMO C=CCOc1ccc(C[N@H+](CC)C2CCOCC2)cc1 ZINC001204300146 812605141 /nfs/dbraw/zinc/60/51/41/812605141.db2.gz LDVPXFPMRVIXIK-UHFFFAOYSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@](C)(O)[C@@H](C)C2)cc1 ZINC001204298110 812605306 /nfs/dbraw/zinc/60/53/06/812605306.db2.gz VWAWBEDLTCSIHL-MAUKXSAKSA-N 1 1 289.419 3.234 20 30 CGEDMO Cc1ccc2c(c1)C[N@@H+](Cc1ccccc1C#N)CC2 ZINC001204366272 812620678 /nfs/dbraw/zinc/62/06/78/812620678.db2.gz BWIRUFUWABACOM-UHFFFAOYSA-N 1 1 262.356 3.425 20 30 CGEDMO Cc1ccc2c(c1)C[N@H+](Cc1ccccc1C#N)CC2 ZINC001204366272 812620684 /nfs/dbraw/zinc/62/06/84/812620684.db2.gz BWIRUFUWABACOM-UHFFFAOYSA-N 1 1 262.356 3.425 20 30 CGEDMO CCOc1ccc(C[N@H+]2CCC[C@@H](C#N)CC2)cc1OC ZINC001204360402 812621469 /nfs/dbraw/zinc/62/14/69/812621469.db2.gz QYQIFTJKNYWORA-CQSZACIVSA-N 1 1 288.391 3.220 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001204415529 812632336 /nfs/dbraw/zinc/63/23/36/812632336.db2.gz SCOAUDZFKNFEKJ-GFCCVEGCSA-N 1 1 283.293 3.430 20 30 CGEDMO Cc1cc(C)cc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)c1 ZINC001204520268 812665413 /nfs/dbraw/zinc/66/54/13/812665413.db2.gz XPAWZYKKDPUMNQ-HNNXBMFYSA-N 1 1 273.401 3.078 20 30 CGEDMO Cc1cc(C)cc(C[N@H+]2CCC3SC(=O)C=C3C2)c1 ZINC001204520268 812665421 /nfs/dbraw/zinc/66/54/21/812665421.db2.gz XPAWZYKKDPUMNQ-HNNXBMFYSA-N 1 1 273.401 3.078 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2Br)C1 ZINC001204540430 812673668 /nfs/dbraw/zinc/67/36/68/812673668.db2.gz PZUHKSPAMXJRJF-LLVKDONJSA-N 1 1 296.183 3.433 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2Br)C1 ZINC001204540430 812673669 /nfs/dbraw/zinc/67/36/69/812673669.db2.gz PZUHKSPAMXJRJF-LLVKDONJSA-N 1 1 296.183 3.433 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc(OC)c(OC)cc1Cl ZINC001205417966 812979310 /nfs/dbraw/zinc/97/93/10/812979310.db2.gz OUSYHKJXQMUZHB-UHFFFAOYSA-N 1 1 269.772 3.365 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C(F)(F)F)nc1 ZINC001205441229 812984373 /nfs/dbraw/zinc/98/43/73/812984373.db2.gz MIWASWDCWAIZMA-XYYAHUGASA-N 1 1 295.308 3.367 20 30 CGEDMO COC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001205493777 812991912 /nfs/dbraw/zinc/99/19/12/812991912.db2.gz PSFRLCWXRFFVRY-HNNXBMFYSA-N 1 1 276.355 3.087 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC001205568864 813006208 /nfs/dbraw/zinc/00/62/08/813006208.db2.gz OFQAXUXLNWQZDB-CQSZACIVSA-N 1 1 281.403 3.251 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1c(C)nn(-c2ccccc2C)c1C ZINC001205568864 813006213 /nfs/dbraw/zinc/00/62/13/813006213.db2.gz OFQAXUXLNWQZDB-CQSZACIVSA-N 1 1 281.403 3.251 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)Cc1ccc(C)c(OC)n1 ZINC001205740549 813065946 /nfs/dbraw/zinc/06/59/46/813065946.db2.gz JGRVOWVZPBGVBT-UHFFFAOYSA-N 1 1 280.371 3.034 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(C)c(OC)n1 ZINC001205740549 813065955 /nfs/dbraw/zinc/06/59/55/813065955.db2.gz JGRVOWVZPBGVBT-UHFFFAOYSA-N 1 1 280.371 3.034 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)CC)C1 ZINC001206083799 813194370 /nfs/dbraw/zinc/19/43/70/813194370.db2.gz ZFMFGOMSKYJMLB-BZUAXINKSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CC[C@H](N)[C@@H](F)CC1 ZINC001206156250 813217450 /nfs/dbraw/zinc/21/74/50/813217450.db2.gz PJUSLFTVJOETJR-GJZGRUSLSA-N 1 1 256.409 3.274 20 30 CGEDMO CCCCCCCCC[N@H+]1CCC(F)(F)[C@H](N)C1 ZINC001206649151 813387696 /nfs/dbraw/zinc/38/76/96/813387696.db2.gz ROEJDPPXYVBCKO-CYBMUJFWSA-N 1 1 262.388 3.405 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)/C=C/C(C)(C)C)C1 ZINC001206651189 813390087 /nfs/dbraw/zinc/39/00/87/813390087.db2.gz KXIXHTJQRPXCBY-OZTXGSJTSA-N 1 1 292.467 3.380 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC(C)C2)C1 ZINC001206816813 813445858 /nfs/dbraw/zinc/44/58/58/813445858.db2.gz GRTIDHUIJPFDTO-MNAZLIDISA-N 1 1 292.467 3.215 20 30 CGEDMO CC[C@@H](c1ccccc1)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC001207109655 813487409 /nfs/dbraw/zinc/48/74/09/813487409.db2.gz QPIGWNKXHHRQQL-KRWDZBQOSA-N 1 1 267.376 3.480 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1C[N@H+](CC=C(C)C)C[C@H]1C ZINC001207107987 813487697 /nfs/dbraw/zinc/48/76/97/813487697.db2.gz TVGLHBBQCKKFTL-NVXWUHKLSA-N 1 1 290.451 3.158 20 30 CGEDMO COc1ccccc1CC[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001207453371 813567246 /nfs/dbraw/zinc/56/72/46/813567246.db2.gz FTSSRRRVYKRDIK-UHFFFAOYSA-N 1 1 292.382 3.168 20 30 CGEDMO O=C1C=C2C[N@H+](CCCCc3ccccc3)CCC2S1 ZINC001207613003 813613050 /nfs/dbraw/zinc/61/30/50/813613050.db2.gz GHNOBSZQGZGTOT-INIZCTEOSA-N 1 1 287.428 3.283 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207626919 813618140 /nfs/dbraw/zinc/61/81/40/813618140.db2.gz NURUEXJPNULRMQ-BBWFWOEESA-N 1 1 252.361 3.202 20 30 CGEDMO C=CCCCCCCCCC[N@H+]1CCNC(=O)CC1 ZINC001207896638 813667473 /nfs/dbraw/zinc/66/74/73/813667473.db2.gz RLNOVLIBCLLQOP-UHFFFAOYSA-N 1 1 266.429 3.115 20 30 CGEDMO CCCCCCC/C=C/C[N@@H+]1CC[C@](F)(CO)C1 ZINC001208119517 813698661 /nfs/dbraw/zinc/69/86/61/813698661.db2.gz CYZIJETZLWZSRM-XVJNWHFHSA-N 1 1 257.393 3.309 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CC[C@](F)(CO)C1 ZINC001208119517 813698664 /nfs/dbraw/zinc/69/86/64/813698664.db2.gz CYZIJETZLWZSRM-XVJNWHFHSA-N 1 1 257.393 3.309 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@H](CC(=O)OC)C2)CC1 ZINC001208178344 813729197 /nfs/dbraw/zinc/72/91/97/813729197.db2.gz AAPBGPQNKNECTR-HZPDHXFCSA-N 1 1 277.408 3.174 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@@H](C(=O)N(C)C)C2)CC1 ZINC001208177593 813729445 /nfs/dbraw/zinc/72/94/45/813729445.db2.gz VHLWXOFPMHCCIH-IAGOWNOFSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H](C)C[C@H](C(=O)OC)C2)CC1 ZINC001208178630 813729483 /nfs/dbraw/zinc/72/94/83/813729483.db2.gz VBPPMTHZDBMKBK-OIISXLGYSA-N 1 1 291.435 3.420 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3=O)CC1 ZINC001208178937 813730623 /nfs/dbraw/zinc/73/06/23/813730623.db2.gz YRMJMSWPFPXBRD-OAGGEKHMSA-N 1 1 259.393 3.200 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC(CC)CC)C[C@H]1C ZINC001208315394 813754357 /nfs/dbraw/zinc/75/43/57/813754357.db2.gz XNZNJVGBCBNISD-UKRRQHHQSA-N 1 1 280.456 3.071 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC(C)=C(C)C)C1 ZINC001208336124 813755025 /nfs/dbraw/zinc/75/50/25/813755025.db2.gz RASKPVYDWBHYAG-HZPDHXFCSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1C ZINC001208458825 813762534 /nfs/dbraw/zinc/76/25/34/813762534.db2.gz ZTROAKYSGDPWOT-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C ZINC001208498374 813763088 /nfs/dbraw/zinc/76/30/88/813763088.db2.gz RVIPSVLBWFCPCW-BFYDXBDKSA-N 1 1 280.456 3.071 20 30 CGEDMO N#Cc1ccc(N2CCC[N@@H+](CCC3CCCC3)CC2)nc1 ZINC001208694727 813800439 /nfs/dbraw/zinc/80/04/39/813800439.db2.gz VOCUNZKGTIFCGK-UHFFFAOYSA-N 1 1 298.434 3.046 20 30 CGEDMO N#Cc1cccc(CCC[N@@H+]2CCC[C@@H](F)CC2)c1 ZINC001208845743 813863886 /nfs/dbraw/zinc/86/38/86/813863886.db2.gz RZOAHCMQRXKDGV-MRXNPFEDSA-N 1 1 260.356 3.315 20 30 CGEDMO N#Cc1cccc(CCC[N@@H+]2CC[C@@H](C(F)(F)F)C2)c1 ZINC001208853879 813867095 /nfs/dbraw/zinc/86/70/95/813867095.db2.gz ZTONPVZOTMKVID-CQSZACIVSA-N 1 1 282.309 3.375 20 30 CGEDMO C[N@@H+](CCCc1ccc(C#N)cc1)Cc1ccc(C#N)cc1 ZINC001208857405 813869869 /nfs/dbraw/zinc/86/98/69/813869869.db2.gz DLKCFCMAHBUPOB-UHFFFAOYSA-N 1 1 289.382 3.495 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCc2ccc(C#N)cc2)CCC1(F)F ZINC001208859038 813872053 /nfs/dbraw/zinc/87/20/53/813872053.db2.gz BNJPCNSAFXRRFZ-CYBMUJFWSA-N 1 1 278.346 3.468 20 30 CGEDMO C[N@@H+](CCc1ccccc1)CCc1ccc(C#N)cc1 ZINC001208920851 813901413 /nfs/dbraw/zinc/90/14/13/813901413.db2.gz RQWAPJIKILEGSK-UHFFFAOYSA-N 1 1 264.372 3.275 20 30 CGEDMO N#Cc1ccc(CC[N@@H+]2CCC[C@H](C(F)F)C2)cc1 ZINC001208925976 813901810 /nfs/dbraw/zinc/90/18/10/813901810.db2.gz BFPBMALNXARPAN-AWEZNQCLSA-N 1 1 264.319 3.078 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)CC2CCCC2)C1 ZINC001209125598 813941352 /nfs/dbraw/zinc/94/13/52/813941352.db2.gz OLIIHNLUUNQJLW-HYVNUMGLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[N@H+]1CC[C@]2(CC(=O)N(c3ccsc3)C2)C1 ZINC001209161446 813951473 /nfs/dbraw/zinc/95/14/73/813951473.db2.gz KTRFTMIIQAMOCH-INIZCTEOSA-N 1 1 290.432 3.143 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CC(C)(C)C)C1 ZINC001209188411 813959212 /nfs/dbraw/zinc/95/92/12/813959212.db2.gz VSFJDJYZLWNBBI-RRFJBIMHSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CC(C)(C)C)C1 ZINC001209187754 813959438 /nfs/dbraw/zinc/95/94/38/813959438.db2.gz IXSNJBGECYYLTC-RRFJBIMHSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC001209201852 813964162 /nfs/dbraw/zinc/96/41/62/813964162.db2.gz VNLPYDPUXLNNCU-GJZGRUSLSA-N 1 1 294.439 3.426 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@H](Oc2cccnc2)C1 ZINC001209202695 813966060 /nfs/dbraw/zinc/96/60/60/813966060.db2.gz NKSQYBCFMXQPOV-INIZCTEOSA-N 1 1 260.381 3.281 20 30 CGEDMO C=CCCCC[N@@H+]1CCCN(c2cccc(C)n2)CC1 ZINC001209207289 813968272 /nfs/dbraw/zinc/96/82/72/813968272.db2.gz QQTXVQXZJLNWBH-UHFFFAOYSA-N 1 1 273.424 3.258 20 30 CGEDMO C#CCCC[NH+]1CCN([C@@H]2CCCc3ccccc32)CC1 ZINC001209270016 813990267 /nfs/dbraw/zinc/99/02/67/813990267.db2.gz UAFIYNZLGVPFKB-LJQANCHMSA-N 1 1 282.431 3.095 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H]2OCCC[C@@]2(COC)C1 ZINC001209425067 814026604 /nfs/dbraw/zinc/02/66/04/814026604.db2.gz YYXLLIVZKHANHX-SJORKVTESA-N 1 1 281.440 3.250 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](C(=O)OC)CC1 ZINC001209430664 814032067 /nfs/dbraw/zinc/03/20/67/814032067.db2.gz AIICJHWESWUOOJ-CQSZACIVSA-N 1 1 253.386 3.008 20 30 CGEDMO C=CCCCCCC[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC001209431797 814032179 /nfs/dbraw/zinc/03/21/79/814032179.db2.gz SUZNRXJAJUULQY-CYBMUJFWSA-N 1 1 279.346 3.370 20 30 CGEDMO C=CCCCCCC[N@H+]1C[C@H](C(=O)OC)CC[C@H]1C ZINC001209432146 814032826 /nfs/dbraw/zinc/03/28/26/814032826.db2.gz ZZVOSOQURWKFHF-HUUCEWRRSA-N 1 1 267.413 3.396 20 30 CGEDMO C=CCCCCCCN1CCC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC001209435547 814037371 /nfs/dbraw/zinc/03/73/71/814037371.db2.gz DYMAJVYGUKNJTF-CVEARBPZSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CCCCCCC[N@H+](C)[C@@H]1CCCN(C(C)=O)C1 ZINC001209441236 814041909 /nfs/dbraw/zinc/04/19/09/814041909.db2.gz WFUYZTHWYPYWKJ-MRXNPFEDSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CCO[C@@H]2C[C@@H](CO)C[C@@H]21 ZINC001209443534 814042483 /nfs/dbraw/zinc/04/24/83/814042483.db2.gz UWIDSXIMESPCEE-OKZBNKHCSA-N 1 1 295.467 3.375 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(CC(C)C)CCCC2)C1 ZINC001209529835 814076195 /nfs/dbraw/zinc/07/61/95/814076195.db2.gz ARTQWRYKXFIKRD-HZPDHXFCSA-N 1 1 292.467 3.215 20 30 CGEDMO N#Cc1ccccc1O[C@H]1CCC[N@H+](Cc2cncs2)C1 ZINC001209550009 814081642 /nfs/dbraw/zinc/08/16/42/814081642.db2.gz ZBANLFORFCJWFW-AWEZNQCLSA-N 1 1 299.399 3.058 20 30 CGEDMO N#Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2cncs2)C1 ZINC001209550009 814081649 /nfs/dbraw/zinc/08/16/49/814081649.db2.gz ZBANLFORFCJWFW-AWEZNQCLSA-N 1 1 299.399 3.058 20 30 CGEDMO Cc1cc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)ccc1O ZINC001209974387 814225034 /nfs/dbraw/zinc/22/50/34/814225034.db2.gz GPGNGFKPNPIJAU-UHFFFAOYSA-N 1 1 299.399 3.365 20 30 CGEDMO COc1cc(NC2=CC(=O)CC(C)(C)C2)[nH+]cc1C ZINC001210150964 814314170 /nfs/dbraw/zinc/31/41/70/814314170.db2.gz URTKWMCRQMZXKB-UHFFFAOYSA-N 1 1 260.337 3.084 20 30 CGEDMO Cc1cccc2[nH+]cc(NC3=CC(=O)CC(C)(C)C3)n21 ZINC001210150965 814314236 /nfs/dbraw/zinc/31/42/36/814314236.db2.gz UVPKJQMYTRAQDG-UHFFFAOYSA-N 1 1 269.348 3.328 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](CC)C(C)(C)C)C1 ZINC001210245081 814363225 /nfs/dbraw/zinc/36/32/25/814363225.db2.gz XYAQEKVRJUNYAW-QLFBSQMISA-N 1 1 280.456 3.071 20 30 CGEDMO C[NH2+]Cc1cccc(Nc2cc(C#N)c(F)cc2O)c1F ZINC001216224999 815744327 /nfs/dbraw/zinc/74/43/27/815744327.db2.gz QUYWAYZVFZJOTL-UHFFFAOYSA-N 1 1 289.285 3.005 20 30 CGEDMO C#C[C@H](Oc1ccc(C(=O)C[NH3+])cc1)[C@H](CC)CCCC ZINC001218292202 816155102 /nfs/dbraw/zinc/15/51/02/816155102.db2.gz PAGSCFVWGXNNDH-KDOFPFPSSA-N 1 1 287.403 3.425 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3)[C@@H]2C1 ZINC001221230943 816306532 /nfs/dbraw/zinc/30/65/32/816306532.db2.gz OQRJRKXHLAECIV-CGTJXYLNSA-N 1 1 298.430 3.188 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)CCCC)[C@@H]2C1 ZINC001221301591 816309512 /nfs/dbraw/zinc/30/95/12/816309512.db2.gz VGKJCVYACIAPFH-GVDBMIGSSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CCC(=O)N1C[C@H]2CC[N@@H+](CC3CCCC3)C[C@H]21 ZINC001221580858 816320950 /nfs/dbraw/zinc/32/09/50/816320950.db2.gz OZTTXVUKZOGKCL-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@](C)(F)CCCC)[C@@H]2C1 ZINC001221661251 816323847 /nfs/dbraw/zinc/32/38/47/816323847.db2.gz QPQPLJKPRULZKL-INMHGKMJSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCCCCCC)[C@@H]2C1 ZINC001221973811 816338868 /nfs/dbraw/zinc/33/88/68/816338868.db2.gz NZJGCIBUBILNHU-IAGOWNOFSA-N 1 1 292.467 3.456 20 30 CGEDMO C#Cc1cccc(CN2CCCC[C@@]3(CCCC[NH2+]C3)C2)c1 ZINC001222168163 816368372 /nfs/dbraw/zinc/36/83/72/816368372.db2.gz WFFFDUGUVRVBDK-HXUWFJFHSA-N 1 1 296.458 3.414 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)C3(CC)CC3)C[C@@H]21 ZINC001223438881 816631303 /nfs/dbraw/zinc/63/13/03/816631303.db2.gz GTOBMTBVSGAOSI-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H](C)C2CCC2)CC1 ZINC001223578117 816653324 /nfs/dbraw/zinc/65/33/24/816653324.db2.gz PPWWYAJEGUKUGT-CYBMUJFWSA-N 1 1 298.858 3.003 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](CCC)C(C)C)C[C@@H]21 ZINC001223595691 816655439 /nfs/dbraw/zinc/65/54/39/816655439.db2.gz WRQGQXHQFUNKIM-ZACQAIPSSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[C@@H](C)CC)C[C@@H]21 ZINC001223744920 816674391 /nfs/dbraw/zinc/67/43/91/816674391.db2.gz AKNJJBREQBYIBE-BBWFWOEESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCOc1ccccc1CO[C@H]1CCC[N@H+](CC)C1 ZINC001223786967 816684055 /nfs/dbraw/zinc/68/40/55/816684055.db2.gz MRQJSNGOTKQMSN-INIZCTEOSA-N 1 1 275.392 3.252 20 30 CGEDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](OCCCCCC#N)C2 ZINC001224690125 816854399 /nfs/dbraw/zinc/85/43/99/816854399.db2.gz PBNVEADTQQOQME-ZSHCYNCHSA-N 1 1 264.413 3.491 20 30 CGEDMO C#C[C@H](CCCCC)Oc1cccnc1C[NH+](C)C ZINC001225279044 816991989 /nfs/dbraw/zinc/99/19/89/816991989.db2.gz TZDYYQLUTRZDGM-CQSZACIVSA-N 1 1 260.381 3.104 20 30 CGEDMO C=C[C@@H](C#CC(C)(C)C)Oc1cccnc1C[NH+](C)C ZINC001225282659 816994194 /nfs/dbraw/zinc/99/41/94/816994194.db2.gz VMOFEKUCUKLFJR-AWEZNQCLSA-N 1 1 272.392 3.126 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H](Oc2cc(Cl)cc(C#N)c2)C1 ZINC001225698790 817146973 /nfs/dbraw/zinc/14/69/73/817146973.db2.gz ATDUUTWDIRSBON-CQSZACIVSA-N 1 1 278.783 3.463 20 30 CGEDMO C=C(C)n1c2ccccc2nc1O[C@H]1CCc2[nH+]ccn2C1 ZINC001226219418 817302261 /nfs/dbraw/zinc/30/22/61/817302261.db2.gz VPTPBSQRWFKGJC-ZDUSSCGKSA-N 1 1 294.358 3.117 20 30 CGEDMO Cc1cc(C#N)cc(Cl)c1O[C@H]1CC[N@H+](C(C)C)C1 ZINC001226596187 817409151 /nfs/dbraw/zinc/40/91/51/817409151.db2.gz WJRRDURZJYOOGN-ZDUSSCGKSA-N 1 1 278.783 3.382 20 30 CGEDMO CC[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2C(F)(F)F)C1 ZINC001227161886 817576757 /nfs/dbraw/zinc/57/67/57/817576757.db2.gz AVGQSBXJIHDSQS-GFCCVEGCSA-N 1 1 298.308 3.440 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C)C(F)(F)CC1 ZINC001231617109 818138262 /nfs/dbraw/zinc/13/82/62/818138262.db2.gz WKGORGHTSFUGPD-GFCCVEGCSA-N 1 1 294.345 3.434 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](C)C[C@@H]1C ZINC001231618583 818138449 /nfs/dbraw/zinc/13/84/49/818138449.db2.gz OHIUPFHJJZYBTQ-STQMWFEESA-N 1 1 258.365 3.187 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@H](CF)C2)c1 ZINC001231623727 818139356 /nfs/dbraw/zinc/13/93/56/818139356.db2.gz RUBXRUOSDDSTDR-OAHLLOKOSA-N 1 1 263.356 3.433 20 30 CGEDMO C=CCOc1cccc(C[NH+]2CC3(C2)C[C@H](F)CS3)c1 ZINC001231625013 818140367 /nfs/dbraw/zinc/14/03/67/818140367.db2.gz JVNGSCVKOZIXIL-AWEZNQCLSA-N 1 1 293.407 3.281 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCc3occc3C2)c1 ZINC001231624662 818140861 /nfs/dbraw/zinc/14/08/61/818140861.db2.gz TZSVAPHRFGVHJY-UHFFFAOYSA-N 1 1 269.344 3.403 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCc3occc3C2)c1 ZINC001231624662 818140864 /nfs/dbraw/zinc/14/08/64/818140864.db2.gz TZSVAPHRFGVHJY-UHFFFAOYSA-N 1 1 269.344 3.403 20 30 CGEDMO C#Cc1cccc(C[N@@H+](C)CCc2cccs2)c1 ZINC001231659328 818150831 /nfs/dbraw/zinc/15/08/31/818150831.db2.gz JCTFWAXCKPUNMI-UHFFFAOYSA-N 1 1 255.386 3.404 20 30 CGEDMO C#Cc1cccc(C[N@H+](C(C)C)C2CCOCC2)c1 ZINC001231662784 818153739 /nfs/dbraw/zinc/15/37/39/818153739.db2.gz GRSSWFJUDVDWEJ-UHFFFAOYSA-N 1 1 257.377 3.057 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)cc1Cl ZINC001232111682 818258357 /nfs/dbraw/zinc/25/83/57/818258357.db2.gz GAVMGJQSOKVBKE-XJKSGUPXSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)cc1Cl ZINC001232111682 818258362 /nfs/dbraw/zinc/25/83/62/818258362.db2.gz GAVMGJQSOKVBKE-XJKSGUPXSA-N 1 1 290.794 3.213 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)c(Cl)c1)Cc1ccccn1 ZINC001232110082 818258982 /nfs/dbraw/zinc/25/89/82/818258982.db2.gz KLGWOHHIKYACIG-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)c(Cl)c1)Cc1ccccn1 ZINC001232110082 818258991 /nfs/dbraw/zinc/25/89/91/818258991.db2.gz KLGWOHHIKYACIG-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccnc3c(F)cccc23)C1 ZINC001232212331 818278985 /nfs/dbraw/zinc/27/89/85/818278985.db2.gz QTILJGSXJWIYQK-ZDUSSCGKSA-N 1 1 268.335 3.219 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(OC)ccc1OCC ZINC001232384733 818332045 /nfs/dbraw/zinc/33/20/45/818332045.db2.gz CMVFCFQROCCYCM-UHFFFAOYSA-N 1 1 263.381 3.492 20 30 CGEDMO N#Cc1ccnc(C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)c1 ZINC001232481106 818363730 /nfs/dbraw/zinc/36/37/30/818363730.db2.gz UVZQVYGCQKJFDN-SFHVURJKSA-N 1 1 291.398 3.408 20 30 CGEDMO CC(C)[N@H+]1CCN(Cc2ccc(Cl)cc2C#N)C[C@@H]1C ZINC001232608548 818394486 /nfs/dbraw/zinc/39/44/86/818394486.db2.gz MPKLSQGALWFCBX-ZDUSSCGKSA-N 1 1 291.826 3.126 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccc3ncsc3c2)CC1 ZINC001232742046 818430287 /nfs/dbraw/zinc/43/02/87/818430287.db2.gz RCMHPMQFIOGNAK-GFCCVEGCSA-N 1 1 271.389 3.422 20 30 CGEDMO CC[C@H]1CCC[N@H+]1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233101305 818521031 /nfs/dbraw/zinc/52/10/31/818521031.db2.gz VPMGMRBUGTWQHM-ZDUSSCGKSA-N 1 1 275.371 3.138 20 30 CGEDMO CC[C@@H]1CCC[N@H+]1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233101304 818521869 /nfs/dbraw/zinc/52/18/69/818521869.db2.gz VPMGMRBUGTWQHM-CYBMUJFWSA-N 1 1 275.371 3.138 20 30 CGEDMO C#CC[N@@H+](C)Cc1cc(Cl)c(OCC)c(Cl)c1 ZINC001233104789 818522180 /nfs/dbraw/zinc/52/21/80/818522180.db2.gz AQNZLPSITMGRRJ-UHFFFAOYSA-N 1 1 272.175 3.457 20 30 CGEDMO C#CC[N@H+](C)Cc1cc(Cl)c(OCC)c(Cl)c1 ZINC001233104789 818522187 /nfs/dbraw/zinc/52/21/87/818522187.db2.gz AQNZLPSITMGRRJ-UHFFFAOYSA-N 1 1 272.175 3.457 20 30 CGEDMO CC[N@H+](CCC#N)Cc1cc(C(C)(C)C)ccc1O ZINC001233285990 818567673 /nfs/dbraw/zinc/56/76/73/818567673.db2.gz ACBAUIYGWANYKA-UHFFFAOYSA-N 1 1 260.381 3.425 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1cc(C(C)(C)C)ccc1O ZINC001233285990 818567682 /nfs/dbraw/zinc/56/76/82/818567682.db2.gz ACBAUIYGWANYKA-UHFFFAOYSA-N 1 1 260.381 3.425 20 30 CGEDMO CC[N@@H+](Cc1cccc(F)c1)Cc1ccc(C#N)cc1[O-] ZINC001233386847 818606339 /nfs/dbraw/zinc/60/63/39/818606339.db2.gz KSANLPODWCWTRW-UHFFFAOYSA-N 1 1 284.334 3.425 20 30 CGEDMO CC[N@H+](Cc1cccc(F)c1)Cc1ccc(C#N)cc1O ZINC001233386847 818606341 /nfs/dbraw/zinc/60/63/41/818606341.db2.gz KSANLPODWCWTRW-UHFFFAOYSA-N 1 1 284.334 3.425 20 30 CGEDMO CC[N@@H+](Cc1cccc(F)c1)Cc1ccc(C#N)cc1O ZINC001233386847 818606346 /nfs/dbraw/zinc/60/63/46/818606346.db2.gz KSANLPODWCWTRW-UHFFFAOYSA-N 1 1 284.334 3.425 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCc3cc(Cl)ccc3C2)c([O-])c1 ZINC001233386812 818606689 /nfs/dbraw/zinc/60/66/89/818606689.db2.gz JUPMLZWCZBTYRX-UHFFFAOYSA-N 1 1 298.773 3.476 20 30 CGEDMO COc1ccc(C[NH+]2CCC(CC#N)CC2)c(Cl)c1O ZINC001233400663 818612188 /nfs/dbraw/zinc/61/21/88/818612188.db2.gz SJUAIBKQFWNZDF-UHFFFAOYSA-N 1 1 294.782 3.180 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cscc1C ZINC001233511783 818631492 /nfs/dbraw/zinc/63/14/92/818631492.db2.gz ORVNYUXCACFOII-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](Oc2cc(C(F)(F)F)ccc2C#N)C1 ZINC001233732473 818693389 /nfs/dbraw/zinc/69/33/89/818693389.db2.gz OKDFRJVTUDKPSF-CYBMUJFWSA-N 1 1 298.308 3.439 20 30 CGEDMO C[C@H](CC(C)(C)S)Oc1ccc2[nH+]ccn2c1 ZINC001233754720 818697642 /nfs/dbraw/zinc/69/76/42/818697642.db2.gz MGJZQCWIYPCBAN-SNVBAGLBSA-N 1 1 250.367 3.200 20 30 CGEDMO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1[C@H](C)c1ccccc1 ZINC001233947261 818737183 /nfs/dbraw/zinc/73/71/83/818737183.db2.gz JVNUJDPOIDEERD-SJLPKXTDSA-N 1 1 298.430 3.084 20 30 CGEDMO C#C[C@H](CC(C)C)Oc1cccc2c1CC[N@@H+](C)C2 ZINC001234424447 818852148 /nfs/dbraw/zinc/85/21/48/818852148.db2.gz PXPKHBBFHRSLRF-OAHLLOKOSA-N 1 1 257.377 3.101 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)CCCC[C@H](C)CC ZINC001234547850 818881010 /nfs/dbraw/zinc/88/10/10/818881010.db2.gz VJCQAYNVXSKXHZ-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CCC(=C)C ZINC001234604779 818890246 /nfs/dbraw/zinc/89/02/46/818890246.db2.gz WATDEPJHOFLYKX-HOTGVXAUSA-N 1 1 278.440 3.230 20 30 CGEDMO CC[N@H+]1CC[C@@H](Oc2cccc(C#N)c2C(C)C)C1 ZINC001234854689 818935882 /nfs/dbraw/zinc/93/58/82/818935882.db2.gz QJCBISDQOZXWSY-CQSZACIVSA-N 1 1 258.365 3.155 20 30 CGEDMO C=CCCCCCC[N@@H+]1CC[C@@]2(C1)C[NH2+]CCC2(F)F ZINC001235092010 818998957 /nfs/dbraw/zinc/99/89/57/818998957.db2.gz WFDVNTNNFSHVML-HNNXBMFYSA-N 1 1 286.410 3.444 20 30 CGEDMO C=CCCCCCC[N@H+]1CC[C@@]2(C1)CNCCC2(F)F ZINC001235092010 818998964 /nfs/dbraw/zinc/99/89/64/818998964.db2.gz WFDVNTNNFSHVML-HNNXBMFYSA-N 1 1 286.410 3.444 20 30 CGEDMO C=CCCCCCC[N@@H+]1CC[C@@]2(C1)CNCCC2(F)F ZINC001235092010 818998969 /nfs/dbraw/zinc/99/89/69/818998969.db2.gz WFDVNTNNFSHVML-HNNXBMFYSA-N 1 1 286.410 3.444 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(CC(C)C)CC1 ZINC001235190344 819029679 /nfs/dbraw/zinc/02/96/79/819029679.db2.gz BEPQINAQKNODLK-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO CCCCCCCN1C[C@@H]2C[NH2+]C[C@]2(C(F)(F)F)C1 ZINC001235224759 819040546 /nfs/dbraw/zinc/04/05/46/819040546.db2.gz OERDIRMBZMNNEN-STQMWFEESA-N 1 1 278.362 3.041 20 30 CGEDMO CCOc1cc(O)cc(C[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC001235399835 819084615 /nfs/dbraw/zinc/08/46/15/819084615.db2.gz DFPUXNFEMYUVEQ-UHFFFAOYSA-N 1 1 296.370 3.295 20 30 CGEDMO C=CCCC(=O)NCCC[N@H+](C)Cc1cc(F)ccc1C ZINC001235436060 819100305 /nfs/dbraw/zinc/10/03/05/819100305.db2.gz DSVGUVGXYDQWPO-UHFFFAOYSA-N 1 1 292.398 3.038 20 30 CGEDMO C=CCCC(=O)NCCC[N@H+](C)Cc1ccc(CC)cc1 ZINC001235451515 819103303 /nfs/dbraw/zinc/10/33/03/819103303.db2.gz LJMFJFGSUVUSKI-UHFFFAOYSA-N 1 1 288.435 3.153 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2c[nH]c3cnc(Cl)cc23)C1 ZINC001235519416 819114799 /nfs/dbraw/zinc/11/47/99/819114799.db2.gz FRKQZUROTUYQBC-LLVKDONJSA-N 1 1 288.782 3.342 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cccn2C(=O)OC(C)(C)C)C1 ZINC001235642017 819129135 /nfs/dbraw/zinc/12/91/35/819129135.db2.gz LEGXVNUNGDZHTG-AWEZNQCLSA-N 1 1 288.391 3.117 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cccn2C(=O)OC(C)(C)C)C1 ZINC001235642017 819129138 /nfs/dbraw/zinc/12/91/38/819129138.db2.gz LEGXVNUNGDZHTG-AWEZNQCLSA-N 1 1 288.391 3.117 20 30 CGEDMO N#Cc1cc(F)c(C[N@@H+]2CC[C@@H](c3ccccn3)C2)c(F)c1 ZINC001235655832 819130850 /nfs/dbraw/zinc/13/08/50/819130850.db2.gz AHSRPUDCKSLASH-CYBMUJFWSA-N 1 1 299.324 3.221 20 30 CGEDMO N#Cc1cc(F)c(C[N@H+]2CC[C@@H](c3ccccn3)C2)c(F)c1 ZINC001235655832 819130852 /nfs/dbraw/zinc/13/08/52/819130852.db2.gz AHSRPUDCKSLASH-CYBMUJFWSA-N 1 1 299.324 3.221 20 30 CGEDMO CCCCCCC[N@@H+](C)C[C@H](N)Cc1ccccc1 ZINC001235661920 819132252 /nfs/dbraw/zinc/13/22/52/819132252.db2.gz AISJGQNVUALNCT-QGZVFWFLSA-N 1 1 262.441 3.459 20 30 CGEDMO CCCCCCCN(C)C[C@H]([NH3+])Cc1ccccc1 ZINC001235661920 819132255 /nfs/dbraw/zinc/13/22/55/819132255.db2.gz AISJGQNVUALNCT-QGZVFWFLSA-N 1 1 262.441 3.459 20 30 CGEDMO CCCCCCC/C=C/CN1CC[C@@H](C[NH2+]C)C1 ZINC001236068202 819298218 /nfs/dbraw/zinc/29/82/18/819298218.db2.gz VTOFWKDPGSIRQK-SCOAYWHSSA-N 1 1 252.446 3.444 20 30 CGEDMO CCCCCCCC[N@@H+](CCOCC)C1CC[NH2+]CC1 ZINC001236460244 819486757 /nfs/dbraw/zinc/48/67/57/819486757.db2.gz OOEROPDVFGDMRM-UHFFFAOYSA-N 1 1 284.488 3.437 20 30 CGEDMO C=CC[N@H+](C)Cc1cc(Br)ccc1N(C)C ZINC001236704885 819577360 /nfs/dbraw/zinc/57/73/60/819577360.db2.gz FJFNBZUCUVUTML-UHFFFAOYSA-N 1 1 283.213 3.133 20 30 CGEDMO C=CCOc1ccccc1CN(CCC)C[C@H]1CC[NH2+]C1 ZINC001236834916 819615769 /nfs/dbraw/zinc/61/57/69/819615769.db2.gz KFFZYNDDZQGEQS-INIZCTEOSA-N 1 1 288.435 3.073 20 30 CGEDMO CSCC[N@@H+](C)Cc1ccc(C#N)c(Br)c1 ZINC001236867159 819626199 /nfs/dbraw/zinc/62/61/99/819626199.db2.gz ZGGAYACXELAYRV-UHFFFAOYSA-N 1 1 299.237 3.116 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)CC1OC=CC1=S ZINC001237180756 819687427 /nfs/dbraw/zinc/68/74/27/819687427.db2.gz BHBGNZBQGFTXJI-UHFFFAOYSA-N 1 1 258.346 3.072 20 30 CGEDMO C#CC[NH+](CC#C)Cc1cc(OC)ccc1-c1ccccc1 ZINC001237310942 819720766 /nfs/dbraw/zinc/72/07/66/819720766.db2.gz NYBOPSJVXIEVOG-UHFFFAOYSA-N 1 1 289.378 3.431 20 30 CGEDMO Cn1cc(C[N@H+]2CCCC[C@H](F)C2)c2cc(C#N)ccc21 ZINC001237463858 819757021 /nfs/dbraw/zinc/75/70/21/819757021.db2.gz BIEUBBBKZLFPHE-HNNXBMFYSA-N 1 1 285.366 3.374 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cccc(CC(=O)OC)c1 ZINC001237488637 819762235 /nfs/dbraw/zinc/76/22/35/819762235.db2.gz SJUGVQYOEUZQPF-UHFFFAOYSA-N 1 1 275.392 3.190 20 30 CGEDMO N#Cc1cc(C[NH+]2CCC3(CC3)CC2)c(F)cc1F ZINC001237524019 819770728 /nfs/dbraw/zinc/77/07/28/819770728.db2.gz FDRUGPHRTFPVMT-UHFFFAOYSA-N 1 1 262.303 3.212 20 30 CGEDMO C[N@H+](Cc1cc(C#N)c(F)cc1F)CC1CC(F)(F)C1 ZINC001237533027 819773372 /nfs/dbraw/zinc/77/33/72/819773372.db2.gz HWWOXUXRALFFMJ-UHFFFAOYSA-N 1 1 286.272 3.314 20 30 CGEDMO C[C@H]1C[N@H+](Cc2cn3cc(C#N)ccc3n2)CCC[C@@H]1C ZINC001237608291 819785847 /nfs/dbraw/zinc/78/58/47/819785847.db2.gz FVHSFOZCRNBYNB-KBPBESRZSA-N 1 1 282.391 3.074 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237948243 819892825 /nfs/dbraw/zinc/89/28/25/819892825.db2.gz BOEOMMGOHINLPU-JTQLQIEISA-N 1 1 267.731 3.030 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(F)c(Cl)cc2O)C1 ZINC001237948243 819892837 /nfs/dbraw/zinc/89/28/37/819892837.db2.gz BOEOMMGOHINLPU-JTQLQIEISA-N 1 1 267.731 3.030 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2[nH]nc3cc(Cl)ccc32)C1 ZINC001238001087 819908311 /nfs/dbraw/zinc/90/83/11/819908311.db2.gz RLEHAHGIKHGNNM-NSHDSACASA-N 1 1 288.782 3.342 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)c(Cl)c1 ZINC001238084065 819927981 /nfs/dbraw/zinc/92/79/81/819927981.db2.gz YLRFMMPLUSGFBZ-NEPJUHHUSA-N 1 1 282.721 3.299 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2cccc(-c3cc[nH]n3)c2)CC1 ZINC001238209025 819957320 /nfs/dbraw/zinc/95/73/20/819957320.db2.gz YBZRLQYCQHKFRD-AWEZNQCLSA-N 1 1 280.375 3.202 20 30 CGEDMO C#CC[NH+](CC#C)Cc1cccc(-c2ccc(Cl)cn2)c1 ZINC001238633894 820067815 /nfs/dbraw/zinc/06/78/15/820067815.db2.gz CLFVYOOSGLSDEX-UHFFFAOYSA-N 1 1 294.785 3.470 20 30 CGEDMO C=CC[NH+]1CCN(Cc2cc(Cl)ccc2SC)CC1 ZINC001238674096 820079384 /nfs/dbraw/zinc/07/93/84/820079384.db2.gz QQDREUSCVHZYBQ-UHFFFAOYSA-N 1 1 296.867 3.366 20 30 CGEDMO CCc1cc(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)ccc1C#N ZINC001238760332 820109146 /nfs/dbraw/zinc/10/91/46/820109146.db2.gz HWHJQFNQDIZROR-AEFFLSMTSA-N 1 1 284.403 3.122 20 30 CGEDMO CCc1cc(CN2CCC([N@@H+](C)C3CC3)CC2)ccc1C#N ZINC001238768196 820112437 /nfs/dbraw/zinc/11/24/37/820112437.db2.gz HBFIXDIENDNHAZ-UHFFFAOYSA-N 1 1 297.446 3.179 20 30 CGEDMO C=CC[N@@H+](C)Cc1cccnc1OCc1ccccc1 ZINC001238773790 820115419 /nfs/dbraw/zinc/11/54/19/820115419.db2.gz JRDMCSORNJWVSP-UHFFFAOYSA-N 1 1 268.360 3.278 20 30 CGEDMO C=CC[N@H+](C)Cc1cccnc1OCc1ccccc1 ZINC001238773790 820115421 /nfs/dbraw/zinc/11/54/21/820115421.db2.gz JRDMCSORNJWVSP-UHFFFAOYSA-N 1 1 268.360 3.278 20 30 CGEDMO CCc1cc(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)ccc1C#N ZINC001238779465 820116909 /nfs/dbraw/zinc/11/69/09/820116909.db2.gz WCOWNIBVTQNTGP-IYBDPMFKSA-N 1 1 254.377 3.208 20 30 CGEDMO C[N@H+]1CCc2c(F)cc(-c3ccc(OCC#N)cc3)cc2C1 ZINC001243595552 823460982 /nfs/dbraw/zinc/46/09/82/823460982.db2.gz YHPWKWHZUNPBPO-UHFFFAOYSA-N 1 1 296.345 3.383 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1c1ccc(-c2cn[nH]c2)cc1 ZINC001240244099 820913428 /nfs/dbraw/zinc/91/34/28/820913428.db2.gz XSGSVDVYNPTTMI-INIZCTEOSA-N 1 1 253.349 3.400 20 30 CGEDMO N#Cc1c(F)cccc1-c1ccc(C[NH+]2CCOCC2)cc1 ZINC001240476691 821080362 /nfs/dbraw/zinc/08/03/62/821080362.db2.gz IDPNFHNTKKIBBP-UHFFFAOYSA-N 1 1 296.345 3.197 20 30 CGEDMO Cc1cc(CC#N)ccc1-c1c[nH+]c(N(C)C)cc1C ZINC001241248409 821669492 /nfs/dbraw/zinc/66/94/92/821669492.db2.gz JIOIEXFFRWSLJL-UHFFFAOYSA-N 1 1 265.360 3.498 20 30 CGEDMO C[N@@H+]1CC=C(c2nc3c(cc2C#N)CCCC3(C)C)CC1 ZINC001241317691 821727912 /nfs/dbraw/zinc/72/79/12/821727912.db2.gz RZBURCOPBDUJHD-UHFFFAOYSA-N 1 1 281.403 3.286 20 30 CGEDMO C[N@H+]1CCC=C(c2nc(-c3ccc(F)cc3)ccc2C#N)C1 ZINC001241564898 821950947 /nfs/dbraw/zinc/95/09/47/821950947.db2.gz DNJJDEHVBQYOPG-UHFFFAOYSA-N 1 1 293.345 3.478 20 30 CGEDMO C[N@H+]1CCC=C(c2cc(C#C[Si](C)(C)C)ccn2)C1 ZINC001241569429 821953822 /nfs/dbraw/zinc/95/38/22/821953822.db2.gz YYHJNRHUNPJUGK-UHFFFAOYSA-N 1 1 270.452 3.029 20 30 CGEDMO C[N@H+]1CCc2cc(-c3cc(F)cc(C#N)c3)ccc2C1 ZINC001241659284 822036165 /nfs/dbraw/zinc/03/61/65/822036165.db2.gz HKVXRJYLJDDWIR-UHFFFAOYSA-N 1 1 266.319 3.352 20 30 CGEDMO COc1cc(CCC#N)c(-c2c[nH+]c(N)cc2C)cc1OC ZINC001242085591 822341731 /nfs/dbraw/zinc/34/17/31/822341731.db2.gz YOHRXDDETILZJL-UHFFFAOYSA-N 1 1 297.358 3.113 20 30 CGEDMO Cc1cc(N)[nH+]cc1-c1c(F)c(F)c(C#N)c(F)c1F ZINC001242090220 822345085 /nfs/dbraw/zinc/34/50/85/822345085.db2.gz LVXPSVKSVWVAJJ-UHFFFAOYSA-N 1 1 281.212 3.067 20 30 CGEDMO C=CC[C@H]([NH2+][C@H]1CCCC(C)(C)C1)C(=O)OCC ZINC001339095791 936349891 /nfs/dbraw/zinc/34/98/91/936349891.db2.gz SFAWTYZYPLTJSV-STQMWFEESA-N 1 1 253.386 3.053 20 30 CGEDMO CC(C)(C)[N@@H+]1CC[C@@H]1CNC1CC(C#N)(c2ccccc2)C1 ZINC001330317377 935284913 /nfs/dbraw/zinc/28/49/13/935284913.db2.gz FHIXEHWNWJHDHW-TVRKMHQQSA-N 1 1 297.446 3.073 20 30 CGEDMO CC(C)(C)[N@H+]1CC[C@@H]1CNC1CC(C#N)(c2ccccc2)C1 ZINC001330317377 935284916 /nfs/dbraw/zinc/28/49/16/935284916.db2.gz FHIXEHWNWJHDHW-TVRKMHQQSA-N 1 1 297.446 3.073 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)C1CC(C(C)(C)C)C1 ZINC001327298393 935052073 /nfs/dbraw/zinc/05/20/73/935052073.db2.gz HEXUZLIJBIKJPB-UHFFFAOYSA-N 1 1 294.483 3.415 20 30 CGEDMO C#CCOCC[N@H+](C)CCc1cccc(Cl)c1Cl ZINC001344069433 936524593 /nfs/dbraw/zinc/52/45/93/936524593.db2.gz RIZWDAJMORPOKA-UHFFFAOYSA-N 1 1 286.202 3.118 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CCCC)CC(C)(C)C1 ZINC001479742508 936527262 /nfs/dbraw/zinc/52/72/62/936527262.db2.gz DCKZTDMVRCFXLW-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1CCC[N@@H+](CCCCCF)C1 ZINC001479909815 936922653 /nfs/dbraw/zinc/92/26/53/936922653.db2.gz RLUVUGQFUVMFSN-NVXWUHKLSA-N 1 1 298.446 3.309 20 30 CGEDMO CC#CC[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@H](C)CCC)C1 ZINC001480073743 937009686 /nfs/dbraw/zinc/00/96/86/937009686.db2.gz VXTAERLKGHBWLT-SJORKVTESA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1ccc([S@](C)=O)cc1 ZINC001352110751 937036509 /nfs/dbraw/zinc/03/65/09/937036509.db2.gz DUEIQYDXKYREHC-SFHVURJKSA-N 1 1 265.422 3.212 20 30 CGEDMO C=C(C)CC[N@@H+](CCC)CCNC(=O)[C@H]1CC12CCCC2 ZINC001481149116 926895630 /nfs/dbraw/zinc/89/56/30/926895630.db2.gz DKCHGTKEWMPKGG-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21)C(C)C ZINC001481350713 926964101 /nfs/dbraw/zinc/96/41/01/926964101.db2.gz PVGRQWVIOJZKDA-IKGGRYGDSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)[C@]1(C)CCC[C@H]1C)C(C)C ZINC001481354622 926965291 /nfs/dbraw/zinc/96/52/91/926965291.db2.gz VAJXNNNJCOOVIE-NVXWUHKLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](F)CC ZINC001481384147 926972461 /nfs/dbraw/zinc/97/24/61/926972461.db2.gz RNRIPPUYTWMBBU-KFWWJZLASA-N 1 1 296.430 3.012 20 30 CGEDMO C=CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](F)CC ZINC001481384147 926972472 /nfs/dbraw/zinc/97/24/72/926972472.db2.gz RNRIPPUYTWMBBU-KFWWJZLASA-N 1 1 296.430 3.012 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](CCNC(=O)c2csc(Cl)c2)C1 ZINC001481452377 926988118 /nfs/dbraw/zinc/98/81/18/926988118.db2.gz VJYCYHPILUBLCP-NSHDSACASA-N 1 1 298.839 3.029 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CCCC)C(C)C)C1 ZINC001481507608 927007995 /nfs/dbraw/zinc/00/79/95/927007995.db2.gz CIIQAQCJSVJXLL-IRXDYDNUSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)CC2(C)CC2)C1 ZINC001481536075 927020040 /nfs/dbraw/zinc/02/00/40/927020040.db2.gz DBKNXMPFRIEMOJ-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCCC(C)(C)C ZINC001481672090 927054585 /nfs/dbraw/zinc/05/45/85/927054585.db2.gz WSKMFNALXGILEU-HOTGVXAUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@](C)(F)CCCC)C1 ZINC001481703218 927062687 /nfs/dbraw/zinc/06/26/87/927062687.db2.gz TZMWLAKCHREOIH-ZBFHGGJFSA-N 1 1 284.419 3.062 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)CCC2CCCCC2)C1 ZINC001481750399 927079027 /nfs/dbraw/zinc/07/90/27/927079027.db2.gz LUIZMLNFYSMRMG-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H](CC)CC(C)C)C1 ZINC001481779571 927087974 /nfs/dbraw/zinc/08/79/74/927087974.db2.gz UJAJUCNWLKECSM-IAGOWNOFSA-N 1 1 292.467 3.005 20 30 CGEDMO C#CCCCCCC[N@H+](C)[C@H](CO)c1ccccc1 ZINC001307452092 927172313 /nfs/dbraw/zinc/17/23/13/927172313.db2.gz IDPZKNGBBKYSSR-QGZVFWFLSA-N 1 1 259.393 3.236 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)C1(CCC)CC1 ZINC001505445492 927283356 /nfs/dbraw/zinc/28/33/56/927283356.db2.gz WMVBGFANVNEAQV-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)c1ccc(Cl)c(F)c1 ZINC001482630548 927333191 /nfs/dbraw/zinc/33/31/91/927333191.db2.gz RXBGNKJAWTVZFO-UHFFFAOYSA-N 1 1 298.789 3.059 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)C1CCC(C)(C)CC1 ZINC001482652755 927336521 /nfs/dbraw/zinc/33/65/21/927336521.db2.gz CQCARMLGQUSHQO-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)CCC(=O)N[C@H](C)C[N@@H+](C)Cc1ccc(F)cc1 ZINC001483341294 927486151 /nfs/dbraw/zinc/48/61/51/927486151.db2.gz BSJDGAIPPSJHIT-CQSZACIVSA-N 1 1 292.398 3.119 20 30 CGEDMO CC#CC[N@@H+](C)C[C@H](C)NC(=O)C1(CC(C)C)CCCC1 ZINC001483394368 927496963 /nfs/dbraw/zinc/49/69/63/927496963.db2.gz BXTBVJJWONGDIC-INIZCTEOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)C1(CC)CCCC1 ZINC001483690273 927576875 /nfs/dbraw/zinc/57/68/75/927576875.db2.gz XDELBCBDJLJBHQ-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC(=O)N1CC[C@@]2(C1)CCC[N@H+](CC[C@H](C)F)C2 ZINC001483831808 927631687 /nfs/dbraw/zinc/63/16/87/927631687.db2.gz VVFYUOOXYZFFPC-RDJZCZTQSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](CC)CCC)C2)C1 ZINC001483846654 927633371 /nfs/dbraw/zinc/63/33/71/927633371.db2.gz IPPJVEHXYQQSMA-AEFFLSMTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)CC=C)C2)C1 ZINC001483849605 927635498 /nfs/dbraw/zinc/63/54/98/927635498.db2.gz YNRBGLLTLBNGAH-SFHVURJKSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N(C)C1C[NH+](CC/C=C\CCC)C1 ZINC001483876511 927638694 /nfs/dbraw/zinc/63/86/94/927638694.db2.gz DSJDWJVAYUWQAM-LENZSSGSSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)CCC(=O)N[C@@]1(C)CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001484051153 927667119 /nfs/dbraw/zinc/66/71/19/927667119.db2.gz YJPZQVGNDXQCGC-SFHVURJKSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](C/C=C\Cl)C2 ZINC001484317643 927691866 /nfs/dbraw/zinc/69/18/66/927691866.db2.gz HULVGYWBIOEREE-XPGCVZSKSA-N 1 1 296.842 3.064 20 30 CGEDMO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCC)C2 ZINC001484387478 927699439 /nfs/dbraw/zinc/69/94/39/927699439.db2.gz PGXVZRIRYKMEKQ-MUJYYYPQSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC=C(C)C ZINC001484462139 927710576 /nfs/dbraw/zinc/71/05/76/927710576.db2.gz LRRXCJXKRMXWSG-IAGOWNOFSA-N 1 1 290.451 3.374 20 30 CGEDMO C=C(C)CCC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001358112425 937188384 /nfs/dbraw/zinc/18/83/84/937188384.db2.gz UADFUPRSAGBEDF-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCCC(=O)NCc1cccc2c1CC[N@@H+](CC=C)C2 ZINC001484612710 927728179 /nfs/dbraw/zinc/72/81/79/927728179.db2.gz LNSRICVUNIEPNV-UHFFFAOYSA-N 1 1 298.430 3.203 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CCC[N@@H+](C/C=C\Cl)CC1 ZINC001484721248 927744083 /nfs/dbraw/zinc/74/40/83/927744083.db2.gz DUJBHKKKGRJPDE-APFBBLRHSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[C@@H](C)C1 ZINC001484753847 927752581 /nfs/dbraw/zinc/75/25/81/927752581.db2.gz AXPDICHADRZCGN-HZPDHXFCSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC[N@H+](C)CCCN(C)C(=O)C1CCC(=C)CC1 ZINC001484756977 927754920 /nfs/dbraw/zinc/75/49/20/927754920.db2.gz IDZUOXVHEICRHY-UHFFFAOYSA-N 1 1 292.467 3.479 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCCC)C(C)(C)C1 ZINC001484933870 927772035 /nfs/dbraw/zinc/77/20/35/927772035.db2.gz MZEBRBCKUIUTDW-ZDUSSCGKSA-N 1 1 286.847 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCCC)C(C)(C)C1 ZINC001484933870 927772043 /nfs/dbraw/zinc/77/20/43/927772043.db2.gz MZEBRBCKUIUTDW-ZDUSSCGKSA-N 1 1 286.847 3.146 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)CC(C)C)C[C@H]1C ZINC001484983764 927781712 /nfs/dbraw/zinc/78/17/12/927781712.db2.gz XOIQZYBYMYQRJI-HZPDHXFCSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1c(C)cccc1C ZINC001485068909 927799456 /nfs/dbraw/zinc/79/94/56/927799456.db2.gz ILLQEMNGLDYVGY-INIZCTEOSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]1C[N@H+](C)C[C@H](C)CC ZINC001485058022 927799531 /nfs/dbraw/zinc/79/95/31/927799531.db2.gz HXONZAWLFHHYFT-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CCC1 ZINC001485069131 927799835 /nfs/dbraw/zinc/79/98/35/927799835.db2.gz JKFRTSYYWDAEQR-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C)C(CC)CC ZINC001485060403 927801251 /nfs/dbraw/zinc/80/12/51/927801251.db2.gz CISIRIWAQSUPLS-HOCLYGCPSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C)C(CC)CC ZINC001485060401 927801584 /nfs/dbraw/zinc/80/15/84/927801584.db2.gz CISIRIWAQSUPLS-GOEBONIOSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[C@@H]2C[N@H+](C)CC(C)C)CC1 ZINC001485070598 927802343 /nfs/dbraw/zinc/80/23/43/927802343.db2.gz ZYZRYBWTSGRULF-QGZVFWFLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C1(CCF)CC1 ZINC001485061091 927803171 /nfs/dbraw/zinc/80/31/71/927803171.db2.gz QGKYWORFWZVNFM-HNNXBMFYSA-N 1 1 296.430 3.015 20 30 CGEDMO C#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C)CCCCCC ZINC001485072815 927804536 /nfs/dbraw/zinc/80/45/36/927804536.db2.gz ISXZZVULYLSJCI-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](CC)CCCCC ZINC001485081086 927805597 /nfs/dbraw/zinc/80/55/97/927805597.db2.gz ZUCYBVCHJYLDTB-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO C#CCC[N@H+](CCCNC(=O)[C@]1(C)CCC[C@H]1C)C(C)C ZINC001493871793 927805761 /nfs/dbraw/zinc/80/57/61/927805761.db2.gz YAVWCUUANAYITR-SJLPKXTDSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)CCC1=CCCCC1 ZINC001473431572 937198936 /nfs/dbraw/zinc/19/89/36/937198936.db2.gz HOHDOKGYPPLDJI-UHFFFAOYSA-N 1 1 250.430 3.317 20 30 CGEDMO CCCCCCC[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC001473513150 937200119 /nfs/dbraw/zinc/20/01/19/937200119.db2.gz NYTHVTFXQPNIIT-KRWDZBQOSA-N 1 1 263.425 3.492 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1C[N@H+](CCC(=C)C)CC1(C)C ZINC001485572466 927890299 /nfs/dbraw/zinc/89/02/99/927890299.db2.gz UHZKBTUBMRRNQL-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C/C(C)=C/CC(=O)NCC[C@H]1CC[N@H+](CCC(=C)C)C1 ZINC001494050228 927905065 /nfs/dbraw/zinc/90/50/65/927905065.db2.gz PQFLGNXKMPADAU-ZSUDGLGESA-N 1 1 290.451 3.303 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)c2c(C)coc2C)CC1 ZINC001485757688 927913132 /nfs/dbraw/zinc/91/31/32/927913132.db2.gz WKKATJYKTRQVLY-UHFFFAOYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)[C@@](C)(C=C)CC)CC1 ZINC001485762647 927915136 /nfs/dbraw/zinc/91/51/36/927915136.db2.gz GLADMBVLDWIPRG-SFHVURJKSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)CC[N@H+](C)C1CCN(C(=O)[C@H]2CC[C@H](C)C2)CC1 ZINC001485763717 927916548 /nfs/dbraw/zinc/91/65/48/927916548.db2.gz DSOQLGZRJLWSSD-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)[C@H]2C[C@@H]2C(C)C)CC1 ZINC001485765974 927918198 /nfs/dbraw/zinc/91/81/98/927918198.db2.gz TZEWNBWSLFXDBA-SJORKVTESA-N 1 1 292.467 3.168 20 30 CGEDMO C[C@@]12CSC[C@@H]1C[N@H+](Cc1ccc(Cl)cc1C#N)C2 ZINC001473861965 937202323 /nfs/dbraw/zinc/20/23/23/937202323.db2.gz SXIRFBOUIYIFCR-DZGCQCFKSA-N 1 1 292.835 3.397 20 30 CGEDMO C[C@@]12CSC[C@@H]1C[N@@H+](Cc1ccc(Cl)cc1C#N)C2 ZINC001473861965 937202326 /nfs/dbraw/zinc/20/23/26/937202326.db2.gz SXIRFBOUIYIFCR-DZGCQCFKSA-N 1 1 292.835 3.397 20 30 CGEDMO C=CCCCC(=O)N[C@@]12CCC[C@H]1[N@@H+](CC(C)C)CC2 ZINC001486147677 927990174 /nfs/dbraw/zinc/99/01/74/927990174.db2.gz KKCOVBXGPVRZAO-NVXWUHKLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)C=C(CC)CC)CCC[C@@H]12 ZINC001486149512 927990895 /nfs/dbraw/zinc/99/08/95/927990895.db2.gz GZNWLMXUHCQJKK-AEFFLSMTSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)CCC(=O)N[C@]12CCC[C@H]1[N@@H+](CCCC)CC2 ZINC001486145826 927991111 /nfs/dbraw/zinc/99/11/11/927991111.db2.gz LRFXXWPIWWXQEN-WBVHZDCISA-N 1 1 278.440 3.256 20 30 CGEDMO CC[C@@H]1C[C@H]([N@@H+](CCC#N)C2CCCC2)CCO1 ZINC001170217514 928118126 /nfs/dbraw/zinc/11/81/26/928118126.db2.gz BJJXBSSAZVVFRN-HUUCEWRRSA-N 1 1 250.386 3.102 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1CC(C)C ZINC001488662747 928294275 /nfs/dbraw/zinc/29/42/75/928294275.db2.gz LKVXAJWRJNMOMI-BRWVUGGUSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CCC(C)C)C[C@@H]2C1 ZINC001489176070 928316269 /nfs/dbraw/zinc/31/62/69/928316269.db2.gz SENTTZZYWVNCIK-SJORKVTESA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C(C)C)[C@H]1CC ZINC001489134727 928318695 /nfs/dbraw/zinc/31/86/95/928318695.db2.gz IFVLENZZZYKYDH-OWCLPIDISA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)CCC)[C@H]1C ZINC001489286988 928323868 /nfs/dbraw/zinc/32/38/68/928323868.db2.gz NWNUDSIHCZRATK-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)CC1CCCCC1 ZINC001493143206 928324303 /nfs/dbraw/zinc/32/43/03/928324303.db2.gz TUKSRSWXRMTILK-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO CC#CC[N@@H+](CC)CCCNC(=O)[C@@H](C)[C@H](C)C(C)(C)C ZINC001490349200 928343224 /nfs/dbraw/zinc/34/32/24/928343224.db2.gz PTFYNCMWZZFWKH-HOTGVXAUSA-N 1 1 294.483 3.156 20 30 CGEDMO CCC[N@H+](CCCN(C)C)Cc1c(C)cc(C#N)cc1C ZINC001560812535 937238276 /nfs/dbraw/zinc/23/82/76/937238276.db2.gz WBDNDJMYGMYKOC-UHFFFAOYSA-N 1 1 287.451 3.339 20 30 CGEDMO CCC[N@@H+](CCCN(C)C)Cc1c(C)cc(C#N)cc1C ZINC001560812535 937238278 /nfs/dbraw/zinc/23/82/78/937238278.db2.gz WBDNDJMYGMYKOC-UHFFFAOYSA-N 1 1 287.451 3.339 20 30 CGEDMO CCCN(CCC[NH+](C)C)Cc1c(C)cc(C#N)cc1C ZINC001560812535 937238280 /nfs/dbraw/zinc/23/82/80/937238280.db2.gz WBDNDJMYGMYKOC-UHFFFAOYSA-N 1 1 287.451 3.339 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)CCCNC(=O)[C@@H](C)C(C)(C)C ZINC001490333820 928347648 /nfs/dbraw/zinc/34/76/48/928347648.db2.gz AKUJICYASKFNFW-CYBMUJFWSA-N 1 1 288.863 3.249 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN(C(=O)/C(C)=C/CC)C1 ZINC001490752103 928382500 /nfs/dbraw/zinc/38/25/00/928382500.db2.gz JSVOFFKQZPPEKB-BRVCPTFNSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CC)CCNC(=O)C(C)=C1CCC1 ZINC001492950922 937244090 /nfs/dbraw/zinc/24/40/90/937244090.db2.gz HWFXQKYBOQJOQA-CQSZACIVSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CC[N@@H+](CC)CCNC(=O)c1cc2sccc2s1 ZINC001492973441 937244734 /nfs/dbraw/zinc/24/47/34/937244734.db2.gz FRBOXDRVAYZPAO-UHFFFAOYSA-N 1 1 294.445 3.201 20 30 CGEDMO C=CCCC[NH+]1CC(NC(=O)[C@H](C)[C@@H](C)C(C)(C)C)C1 ZINC001318069748 928421771 /nfs/dbraw/zinc/42/17/71/928421771.db2.gz MYBCXUBNTWKEIJ-ZIAGYGMSSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CC[C@H]([NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1)C(=O)OCC ZINC001321150067 928502098 /nfs/dbraw/zinc/50/20/98/928502098.db2.gz SKDIQPXQSDBRME-QXSJWSMHSA-N 1 1 279.424 3.443 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C(=C)C)C(C)(C)C1 ZINC001328079686 928783670 /nfs/dbraw/zinc/78/36/70/928783670.db2.gz FFAOPYWEFGKERF-OAHLLOKOSA-N 1 1 292.467 3.382 20 30 CGEDMO N#Cc1ccnc(C[NH2+]C2(c3cccc(Cl)c3)CC2)c1 ZINC001459843727 937503308 /nfs/dbraw/zinc/50/33/08/937503308.db2.gz KHTZJYZQBVBWLD-UHFFFAOYSA-N 1 1 283.762 3.386 20 30 CGEDMO CC#CC[N@@H+]1C[C@@H](C)CC[C@H]1c1ccccc1OC ZINC001460086548 937514674 /nfs/dbraw/zinc/51/46/74/937514674.db2.gz VDRCDTDZPAFYIT-HOCLYGCPSA-N 1 1 257.377 3.492 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC001460365642 937529140 /nfs/dbraw/zinc/52/91/40/937529140.db2.gz WKQLKNQSBQFIJU-CYBMUJFWSA-N 1 1 260.337 3.383 20 30 CGEDMO N#Cc1ccc2[nH]cc(C[N@H+]3CC[C@]4(C3)CCCOC4)c2c1 ZINC001140116104 931956059 /nfs/dbraw/zinc/95/60/59/931956059.db2.gz RICOSUHGJISPHT-SFHVURJKSA-N 1 1 295.386 3.042 20 30 CGEDMO N#Cc1ccc(Cl)c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)c1 ZINC001140602273 931958593 /nfs/dbraw/zinc/95/85/93/931958593.db2.gz IOGNZGZCYLQRIX-OBJOEFQTSA-N 1 1 264.731 3.144 20 30 CGEDMO C=CCCC[N@@H+](CC)CCN1C[C@H](C)C[C@@H](C)C1 ZINC001460902732 937552032 /nfs/dbraw/zinc/55/20/32/937552032.db2.gz VLDVGPNWKRDQSF-HZPDHXFCSA-N 1 1 252.446 3.252 20 30 CGEDMO C=CCCC[N@H+](CC)CCN1C[C@H](C)C[C@@H](C)C1 ZINC001460902732 937552034 /nfs/dbraw/zinc/55/20/34/937552034.db2.gz VLDVGPNWKRDQSF-HZPDHXFCSA-N 1 1 252.446 3.252 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@H](C)CNC(=O)C(C)(C)C(C)C ZINC001329452045 932001606 /nfs/dbraw/zinc/00/16/06/932001606.db2.gz YENBHJDIIJNEKQ-LSDHHAIUSA-N 1 1 282.472 3.460 20 30 CGEDMO CC(C)(C)c1cc(C#N)ccc1O[C@@H]1CCc2[nH+]ccn2C1 ZINC001228994528 932068337 /nfs/dbraw/zinc/06/83/37/932068337.db2.gz CTZUWACGZSJXDS-CQSZACIVSA-N 1 1 295.386 3.446 20 30 CGEDMO C[N@H+]1CCC[C@H](Oc2cccc(C#N)c2Cl)CC1 ZINC001229067658 932086668 /nfs/dbraw/zinc/08/66/68/932086668.db2.gz OMZTZRIGSMFCPP-LBPRGKRZSA-N 1 1 264.756 3.075 20 30 CGEDMO C#C[C@@H](CCCCC)Oc1ccc(C(=[NH2+])NO)c(F)c1 ZINC001229083320 932090342 /nfs/dbraw/zinc/09/03/42/932090342.db2.gz PPFXCIKPVOVQGU-NSHDSACASA-N 1 1 278.327 3.091 20 30 CGEDMO CC[C@H](C)[C@@H](C[N@@H+](CCC#N)CC(C)(C)C)OC ZINC001461899344 937605392 /nfs/dbraw/zinc/60/53/92/937605392.db2.gz NYTAALGANJXRFA-UONOGXRCSA-N 1 1 254.418 3.309 20 30 CGEDMO N#Cc1ccc(F)cc1O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001230637102 932603279 /nfs/dbraw/zinc/60/32/79/932603279.db2.gz UAFTYPXZJMFTMT-KRWDZBQOSA-N 1 1 296.345 3.351 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC1CCCC1 ZINC001230664282 932605034 /nfs/dbraw/zinc/60/50/34/932605034.db2.gz MXCQEIAIATZQLO-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC1CCCC1 ZINC001230674596 932607195 /nfs/dbraw/zinc/60/71/95/932607195.db2.gz ABCSNYMNFNVVAS-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H]2COCc2ccccc2)s1 ZINC001232843782 932683217 /nfs/dbraw/zinc/68/32/17/932683217.db2.gz CGFBSPAGUMFZQP-HNNXBMFYSA-N 1 1 298.411 3.411 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H]2COCc2ccccc2)s1 ZINC001232843782 932683218 /nfs/dbraw/zinc/68/32/18/932683218.db2.gz CGFBSPAGUMFZQP-HNNXBMFYSA-N 1 1 298.411 3.411 20 30 CGEDMO N#C[C@H]1CC[C@H]([NH2+]CC(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC001254643171 932725050 /nfs/dbraw/zinc/72/50/50/932725050.db2.gz JOCZJQJESXTFKI-GWCFXTLKSA-N 1 1 296.292 3.170 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2cn(CCC)nn2)CCCC1(C)C ZINC001462157954 937621526 /nfs/dbraw/zinc/62/15/26/937621526.db2.gz OTEUHWLJGXOBBI-HNNXBMFYSA-N 1 1 276.428 3.255 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N(C)C[C@H]1CC[N@@H+]1CC/C=C/CC ZINC001316601120 932744423 /nfs/dbraw/zinc/74/44/23/932744423.db2.gz OKNKXXDSQIAKHS-ROJDOSBLSA-N 1 1 292.467 3.478 20 30 CGEDMO N#CC1(C[NH2+][C@H]2CCCc3ncccc32)CCCC1 ZINC001332448384 932744788 /nfs/dbraw/zinc/74/47/88/932744788.db2.gz VVWHLHFZGVRBEF-HNNXBMFYSA-N 1 1 255.365 3.133 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@]1(C)CC=C(C)CC1 ZINC001316608935 932748180 /nfs/dbraw/zinc/74/81/80/932748180.db2.gz IOSRARCGYHDLTG-SJLPKXTDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)C2CC3(CCC3)C2)C1 ZINC001491941957 932797958 /nfs/dbraw/zinc/79/79/58/932797958.db2.gz FNCHHZVCNPRTPA-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC1(C(=O)N2CCC[C@H]([N@@H+](C)CCF)C2)CCCC1 ZINC001491966453 932799356 /nfs/dbraw/zinc/79/93/56/932799356.db2.gz FCMWOILQPXZSRF-HNNXBMFYSA-N 1 1 296.430 3.015 20 30 CGEDMO CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)CC(C)C)C1 ZINC001491960773 932800151 /nfs/dbraw/zinc/80/01/51/932800151.db2.gz XDTHNVWJDUPSNK-MRXNPFEDSA-N 1 1 292.467 3.005 20 30 CGEDMO CCCCC[N@H+]1CCC[C@@H]1CCCNC(=O)C#CC(C)C ZINC001492148279 932806501 /nfs/dbraw/zinc/80/65/01/932806501.db2.gz GCWZNKMKWVQLHZ-KRWDZBQOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCCC[C@@H]1CCC[N@H+]1CC1CC1 ZINC001492163089 932807292 /nfs/dbraw/zinc/80/72/92/932807292.db2.gz CYSVDEYGQRMARV-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H](C)CCCC ZINC001492149724 932807323 /nfs/dbraw/zinc/80/73/23/932807323.db2.gz WJEJZKXCSNFQFB-SJORKVTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]1CCCNC(=O)C(C)(C)F ZINC001492136219 932808384 /nfs/dbraw/zinc/80/83/84/932808384.db2.gz RJLFKBYSAFFZKA-CQSZACIVSA-N 1 1 284.419 3.062 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](CNC(=O)C[C@@H](CC)C(C)C)C1 ZINC001493253728 932813201 /nfs/dbraw/zinc/81/32/01/932813201.db2.gz DYPYPKUYFVKCGR-HZPDHXFCSA-N 1 1 280.456 3.073 20 30 CGEDMO CCCn1cncc1C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC001462363759 937635691 /nfs/dbraw/zinc/63/56/91/937635691.db2.gz KCNQWAXXFPKOCD-AWEZNQCLSA-N 1 1 282.391 3.358 20 30 CGEDMO CCCn1cncc1C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC001462363759 937635693 /nfs/dbraw/zinc/63/56/93/937635693.db2.gz KCNQWAXXFPKOCD-AWEZNQCLSA-N 1 1 282.391 3.358 20 30 CGEDMO CCc1c[nH]c2nc[nH+]c(NCc3ccc(C#N)c(F)c3)c12 ZINC001307141835 932919176 /nfs/dbraw/zinc/91/91/76/932919176.db2.gz QKLFZLHKVHYPMD-UHFFFAOYSA-N 1 1 295.321 3.095 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2Nc1[nH+]cnc2[nH]ccc21 ZINC001307143213 932920903 /nfs/dbraw/zinc/92/09/03/932920903.db2.gz CHKXPDKSOHMQSY-HNNXBMFYSA-N 1 1 289.342 3.319 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)CCCOc1cccc(Cl)c1 ZINC001307680928 932985555 /nfs/dbraw/zinc/98/55/55/932985555.db2.gz ZCZNARZRDJOMBT-UHFFFAOYSA-N 1 1 265.784 3.453 20 30 CGEDMO C=CC[C@@H]1[N@@H+](CC(=O)NCC(C)(C)C)CCCC1(C)C ZINC001307729374 932992269 /nfs/dbraw/zinc/99/22/69/932992269.db2.gz LVDILQJVLXFTSB-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CCN(CC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC001307753809 932997367 /nfs/dbraw/zinc/99/73/67/932997367.db2.gz QCFGWOUORSWNKL-UHFFFAOYSA-N 1 1 292.426 3.254 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1Cc2ccc(OC)cc2OC(C)(C)C1 ZINC001307849317 933008860 /nfs/dbraw/zinc/00/88/60/933008860.db2.gz CQZRUPBHVVJUBZ-CQSZACIVSA-N 1 1 287.403 3.470 20 30 CGEDMO CCCCCCCCC[N@@H+]1CCC[C@](O)(CN(C)C)C1 ZINC001307879624 933013930 /nfs/dbraw/zinc/01/39/30/933013930.db2.gz QKZCZRAYHDNQIS-KRWDZBQOSA-N 1 1 284.488 3.126 20 30 CGEDMO CCCCCCCCC[N@H+]1CCC[C@](O)(CN(C)C)C1 ZINC001307879624 933013933 /nfs/dbraw/zinc/01/39/33/933013933.db2.gz QKZCZRAYHDNQIS-KRWDZBQOSA-N 1 1 284.488 3.126 20 30 CGEDMO CC1(C)CCC(C)(C)[N@@H+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001307943682 933024128 /nfs/dbraw/zinc/02/41/28/933024128.db2.gz BYRVGTBCIFZBJH-MRXNPFEDSA-N 1 1 286.419 3.492 20 30 CGEDMO C=CCC[C@H]1CCC[N@H+]1C[C@H]1COc2ccccc2O1 ZINC001308136287 933055332 /nfs/dbraw/zinc/05/53/32/933055332.db2.gz KGIJBHGNVIRDQE-GJZGRUSLSA-N 1 1 273.376 3.257 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001308139318 933056419 /nfs/dbraw/zinc/05/64/19/933056419.db2.gz FOSXGYFGWFBQRA-LBPRGKRZSA-N 1 1 266.728 3.399 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC001308139318 933056425 /nfs/dbraw/zinc/05/64/25/933056425.db2.gz FOSXGYFGWFBQRA-LBPRGKRZSA-N 1 1 266.728 3.399 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1C[C@@H](O)COc1cc(C)ccc1Cl ZINC001308140942 933056527 /nfs/dbraw/zinc/05/65/27/933056527.db2.gz NOHNDQPTHCPZIW-ZIAGYGMSSA-N 1 1 295.810 3.039 20 30 CGEDMO C#Cc1ccc(CN2CCC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC001462662159 937657705 /nfs/dbraw/zinc/65/77/05/937657705.db2.gz DOMXWFRDXFAFSY-UHFFFAOYSA-N 1 1 270.420 3.020 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ccc2cncn2c1 ZINC001308431701 933110259 /nfs/dbraw/zinc/11/02/59/933110259.db2.gz TVEGTSOHMYVPBE-UHFFFAOYSA-N 1 1 290.370 3.113 20 30 CGEDMO N#Cc1csc(C[NH2+]Cc2noc3ccccc32)c1 ZINC001308519379 933124262 /nfs/dbraw/zinc/12/42/62/933124262.db2.gz QNZRSYGNIVISPS-UHFFFAOYSA-N 1 1 269.329 3.051 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1cc2nc(Cl)ccc2s1 ZINC001308724119 933166093 /nfs/dbraw/zinc/16/60/93/933166093.db2.gz MLZBWTNRBJFHCF-VIFPVBQESA-N 1 1 264.781 3.403 20 30 CGEDMO C=CCC[C@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@H]12)C(=O)OCC ZINC001308769986 933174012 /nfs/dbraw/zinc/17/40/12/933174012.db2.gz OUUBJQZNNJHKPO-XQLPTFJDSA-N 1 1 265.397 3.053 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CC2(CCC2)[C@@H]1C1CC1 ZINC001308802970 933180831 /nfs/dbraw/zinc/18/08/31/933180831.db2.gz OFHDNHREAWHVDE-KRWDZBQOSA-N 1 1 251.373 3.303 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc3c(c2)C[C@@H](C)O3)C1 ZINC001308831605 933185183 /nfs/dbraw/zinc/18/51/83/933185183.db2.gz CUGAMDJRSYIZLZ-HUUCEWRRSA-N 1 1 269.388 3.245 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cc(C(=O)OC)c(CC)o2)C1 ZINC001308854248 933190160 /nfs/dbraw/zinc/19/01/60/933190160.db2.gz CVATUJULDSQMHG-ZDUSSCGKSA-N 1 1 291.391 3.417 20 30 CGEDMO C=C(C)C[C@@H]([NH2+]C1CCC(C)(C)CC1)C(=O)OCC ZINC001308917936 933203994 /nfs/dbraw/zinc/20/39/94/933203994.db2.gz LIEOEAPEOLPTCO-CQSZACIVSA-N 1 1 267.413 3.443 20 30 CGEDMO C=C[C@@H](C(=O)NCC[N@H+](CC)CC(C)C)c1ccccc1 ZINC001317492491 933257677 /nfs/dbraw/zinc/25/76/77/933257677.db2.gz MVECJRJCJNZTHM-QGZVFWFLSA-N 1 1 288.435 3.050 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CCC[N@H+]2CC2CC2)CCCC1 ZINC001317514607 933318381 /nfs/dbraw/zinc/31/83/81/933318381.db2.gz XSZHVINWBFJZMA-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(CC)CNC(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC001311952000 933324004 /nfs/dbraw/zinc/32/40/04/933324004.db2.gz GCCRYXFEMXTOPQ-HNNXBMFYSA-N 1 1 295.471 3.152 20 30 CGEDMO CCCCCCCNC(=O)NC[C@@H]1CCC[N@H+]1CCC ZINC001312657010 933380664 /nfs/dbraw/zinc/38/06/64/933380664.db2.gz SBDYDEQMRZGTOW-HNNXBMFYSA-N 1 1 283.460 3.130 20 30 CGEDMO CCCCCCC[N@@H+](C)C[C@H]1CCCN1C(=O)C1CC1 ZINC001328706650 933463193 /nfs/dbraw/zinc/46/31/93/933463193.db2.gz YYDNRJYQKNSONC-MRXNPFEDSA-N 1 1 280.456 3.290 20 30 CGEDMO C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@](C)(CC)CCC ZINC001328782413 933464557 /nfs/dbraw/zinc/46/45/57/933464557.db2.gz ZZMWLPCGNNZWHZ-SJLPKXTDSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]2C[N@@H+](CCC)CC[C@@H]21 ZINC001317106279 933471412 /nfs/dbraw/zinc/47/14/12/933471412.db2.gz UHHZTRDZAHKSIV-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1[C@@H]2CCC[N@H+](CCC)[C@@H]2C1(C)C ZINC001316720138 933477744 /nfs/dbraw/zinc/47/77/44/933477744.db2.gz JMVSDIJVEWGBIF-UAGQMJEPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCC2CCC2)[C@H]1C ZINC001316780668 933480343 /nfs/dbraw/zinc/48/03/43/933480343.db2.gz SPTCHKTZBOYNCC-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@@H+](CC)CCCNC(=O)c1cccc(Cl)c1F ZINC001316901331 933492934 /nfs/dbraw/zinc/49/29/34/933492934.db2.gz GODCGOJGFHXRDS-UHFFFAOYSA-N 1 1 298.789 3.107 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CCC)CC(C)C)C1 ZINC001316953459 933501546 /nfs/dbraw/zinc/50/15/46/933501546.db2.gz MCBLXKTYXQEXGV-HOTGVXAUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[N@H+](CC/C=C/CC)C1 ZINC001316979027 933506564 /nfs/dbraw/zinc/50/65/64/933506564.db2.gz HTLQSVIGTHHLKL-KIUWMYQTSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@]2(C)CC=CCC2)C1 ZINC001317036352 933518812 /nfs/dbraw/zinc/51/88/12/933518812.db2.gz DLTBDTROAYFPFA-WMZOPIPTSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H](C[N@H+](C)CCCC)C1 ZINC001317037489 933519156 /nfs/dbraw/zinc/51/91/56/933519156.db2.gz UBUNIZRRRJNNNH-INIZCTEOSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCCCC ZINC001317051808 933522021 /nfs/dbraw/zinc/52/20/21/933522021.db2.gz MZLXRAHPVACILC-IYBDPMFKSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](C[C@H](C)CC)C1 ZINC001317141648 933541180 /nfs/dbraw/zinc/54/11/80/933541180.db2.gz ZYTXQKSETUBMKV-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(CC)CC)C1 ZINC001317204298 933554366 /nfs/dbraw/zinc/55/43/66/933554366.db2.gz MFLHMAILDZULBD-JKSUJKDBSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)CC2CCCCC2)C1 ZINC001317377069 933579162 /nfs/dbraw/zinc/57/91/62/933579162.db2.gz UKTJYVYYNMFVCE-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)CCC2CCC2)C1 ZINC001317371247 933580304 /nfs/dbraw/zinc/58/03/04/933580304.db2.gz SCVVUUKSCAMDED-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)c1cc(C(C)C)oc1C ZINC001317489065 933602149 /nfs/dbraw/zinc/60/21/49/933602149.db2.gz RKXXFUTZIHAWAY-UHFFFAOYSA-N 1 1 292.423 3.339 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)c1ccoc1C(C)C ZINC001317492939 933604373 /nfs/dbraw/zinc/60/43/73/933604373.db2.gz RKKONLRNDNQRAN-UHFFFAOYSA-N 1 1 278.396 3.031 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](CCC)C(C)C)C1 ZINC001317529623 933612129 /nfs/dbraw/zinc/61/21/29/933612129.db2.gz PPFZXNOULFUQCO-HOTGVXAUSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[N@@H+](CCC)CCNC(=O)[C@]1(C)CC=CCC1 ZINC001317540400 933612651 /nfs/dbraw/zinc/61/26/51/933612651.db2.gz JGSNJGSIMZUYSM-QGZVFWFLSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](CNC(=O)C2(CCC)CCC2)C1 ZINC001317537556 933612740 /nfs/dbraw/zinc/61/27/40/933612740.db2.gz QYBSKCQCOCKGSW-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)CC[N@@H+](CCC)CCNC(=O)c1ccc(Cl)[nH]1 ZINC001317546506 933615674 /nfs/dbraw/zinc/61/56/74/933615674.db2.gz HTUBRXDEVLMTIJ-UHFFFAOYSA-N 1 1 297.830 3.076 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)c1ccc(Cl)c(C)c1 ZINC001317546530 933618393 /nfs/dbraw/zinc/61/83/93/933618393.db2.gz IRXNKTZAXWUPLD-UHFFFAOYSA-N 1 1 294.826 3.276 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)c1ccc(F)s1)C(C)C ZINC001317710798 933636086 /nfs/dbraw/zinc/63/60/86/933636086.db2.gz BZIBUYKZNIFKPP-UHFFFAOYSA-N 1 1 298.427 3.294 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)C[C@@H](C=C)CC)C1 ZINC001317762547 933644899 /nfs/dbraw/zinc/64/48/99/933644899.db2.gz AZKLMFVPYDUBBJ-HOTGVXAUSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001317864447 933660924 /nfs/dbraw/zinc/66/09/24/933660924.db2.gz USPVGRDSZCYJSX-SJLPKXTDSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@@H+](C)CC1CCN(C(=O)C2(C)CC(=C)C2)CC1 ZINC001317879343 933661657 /nfs/dbraw/zinc/66/16/57/933661657.db2.gz ARXGNONHYPHICJ-UHFFFAOYSA-N 1 1 290.451 3.089 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001317944349 933666810 /nfs/dbraw/zinc/66/68/10/933666810.db2.gz HIMHRRDKJPZUSE-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001317944350 933667716 /nfs/dbraw/zinc/66/77/16/933667716.db2.gz HIMHRRDKJPZUSE-JKSUJKDBSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC(C)(C)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCC(C)C ZINC001318201372 933693926 /nfs/dbraw/zinc/69/39/26/933693926.db2.gz MKQFINJIKKQQKW-HOTGVXAUSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC(C)C ZINC001318215822 933694272 /nfs/dbraw/zinc/69/42/72/933694272.db2.gz UCNPXGMBYKGHLV-HOTGVXAUSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2ccsc2)C1 ZINC001318382296 933716071 /nfs/dbraw/zinc/71/60/71/933716071.db2.gz VMULXIDZQQMKDY-HIFRSBDPSA-N 1 1 292.448 3.249 20 30 CGEDMO C=CCCC(=O)N(CC)[C@H]1CC[N@@H+](CCCC(C)C)C1 ZINC001318458130 933728940 /nfs/dbraw/zinc/72/89/40/933728940.db2.gz NEAJVARAVNDVLP-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC(C)(C)NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001467744814 937721770 /nfs/dbraw/zinc/72/17/70/937721770.db2.gz QCMNSHNNQPJPCE-GASCZTMLSA-N 1 1 295.471 3.008 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N(C)CC[N@@H+](C)Cc1ccccc1 ZINC001320043332 933985487 /nfs/dbraw/zinc/98/54/87/933985487.db2.gz STBKFBNVEQIMII-GOSISDBHSA-N 1 1 288.435 3.179 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)C(C)(C)CC(C)(C)C ZINC001320085993 933995344 /nfs/dbraw/zinc/99/53/44/933995344.db2.gz VLQZSLCTXQEDRM-UHFFFAOYSA-N 1 1 282.472 3.415 20 30 CGEDMO C=CCCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CC(CC)CC)C1 ZINC001320097483 934000201 /nfs/dbraw/zinc/00/02/01/934000201.db2.gz MKHFAVBNLDMQNI-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cn2c3ccccc3oc2=S)C1 ZINC001320308323 934028641 /nfs/dbraw/zinc/02/86/41/934028641.db2.gz KTFGPTMGCFURHM-LBPRGKRZSA-N 1 1 290.388 3.198 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cn2c3ccccc3oc2=S)C1 ZINC001320308323 934028650 /nfs/dbraw/zinc/02/86/50/934028650.db2.gz KTFGPTMGCFURHM-LBPRGKRZSA-N 1 1 290.388 3.198 20 30 CGEDMO C=CC[C@H]([NH2+][C@H](C)CCC1CCCC1)C(=O)OCC ZINC001320767047 934099983 /nfs/dbraw/zinc/09/99/83/934099983.db2.gz LQLYGAMBOQWQNF-HIFRSBDPSA-N 1 1 267.413 3.443 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc2cc[nH]c2c1 ZINC001322256684 934264564 /nfs/dbraw/zinc/26/45/64/934264564.db2.gz AUEZXIPUTYEAGV-AWEZNQCLSA-N 1 1 299.418 3.184 20 30 CGEDMO C=CC[N@H+](C)C[C@H](C)NC(=O)CCCc1sccc1C ZINC001322284951 934271788 /nfs/dbraw/zinc/27/17/88/934271788.db2.gz HTSLVRMJORBQNO-AWEZNQCLSA-N 1 1 294.464 3.002 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)C1(C)C(C)(C)C1(C)C ZINC001322316035 934279771 /nfs/dbraw/zinc/27/97/71/934279771.db2.gz XICTXDSPVGZICU-CYBMUJFWSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCC(C)C ZINC001323695563 934418550 /nfs/dbraw/zinc/41/85/50/934418550.db2.gz HXXJONSRWHWZOJ-SJORKVTESA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001323730321 934421891 /nfs/dbraw/zinc/42/18/91/934421891.db2.gz SXSPLVFQHLDUGQ-ZDUSSCGKSA-N 1 1 296.754 3.025 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001323730321 934421894 /nfs/dbraw/zinc/42/18/94/934421894.db2.gz SXSPLVFQHLDUGQ-ZDUSSCGKSA-N 1 1 296.754 3.025 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CC)C3)CCC1 ZINC001323813535 934427273 /nfs/dbraw/zinc/42/72/73/934427273.db2.gz RNPODESUXLCUDG-KRWDZBQOSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C[C@H](CC)CC(=O)N(C)C1C[NH+](CC/C=C\CC)C1 ZINC001323970478 934444703 /nfs/dbraw/zinc/44/47/03/934444703.db2.gz VHBJMEHWNRKKFM-WHLNPGIBSA-N 1 1 278.440 3.088 20 30 CGEDMO C#CC[N@H+](Cc1csc(Br)c1)CC1CC1 ZINC001324382179 934496434 /nfs/dbraw/zinc/49/64/34/934496434.db2.gz DHTVTUTVOLTJJV-UHFFFAOYSA-N 1 1 284.222 3.356 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@]1(C)CC[N@H+](CCC(=C)C)C1 ZINC001324619448 934533999 /nfs/dbraw/zinc/53/39/99/934533999.db2.gz KHCZPIXQQJLTLH-GOSISDBHSA-N 1 1 290.451 3.302 20 30 CGEDMO C#CCOc1ccc(C[N@H+](C)[C@@H]2CC[C@H](SC)C2)cc1 ZINC001324752020 934561292 /nfs/dbraw/zinc/56/12/92/934561292.db2.gz NTSNTQSTBHWEPZ-WBVHZDCISA-N 1 1 289.444 3.415 20 30 CGEDMO C=C(CNC(=O)[C@H]1CCCC[N@@H+]1CCC)c1ccccc1 ZINC001324767436 934566070 /nfs/dbraw/zinc/56/60/70/934566070.db2.gz JIDLVDPYVXMULZ-QGZVFWFLSA-N 1 1 286.419 3.081 20 30 CGEDMO Cc1cc(F)c(C#N)c(NC[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC001472848561 937786675 /nfs/dbraw/zinc/78/66/75/937786675.db2.gz NYXQBWYOLARUJU-AWEZNQCLSA-N 1 1 287.382 3.435 20 30 CGEDMO C#CC[N@H+](C[C@H]1CC[C@H](C(F)(F)F)O1)C1CCCCC1 ZINC001473137411 937794196 /nfs/dbraw/zinc/79/41/96/937794196.db2.gz UYKZILACBXNOQF-ZIAGYGMSSA-N 1 1 289.341 3.364 20 30 CGEDMO CCC[C@]1(C)CCC[N@@H+](Cc2cc(C#N)ccn2)C1 ZINC001473191222 937796548 /nfs/dbraw/zinc/79/65/48/937796548.db2.gz JTZSQLYILKKFFE-MRXNPFEDSA-N 1 1 257.381 3.355 20 30 CGEDMO CCC[C@]1(C)CCC[N@@H+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC001473192745 937796748 /nfs/dbraw/zinc/79/67/48/937796748.db2.gz OFJLPXYRTDIGHI-ZWKOTPCHSA-N 1 1 286.419 3.494 20 30 CGEDMO C=C(Cl)CN1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001473281863 937800142 /nfs/dbraw/zinc/80/01/42/937800142.db2.gz CPMXPXIZLXLRBB-LSDHHAIUSA-N 1 1 278.827 3.334 20 30 CGEDMO C=C(CC)C[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C ZINC001473321818 937801924 /nfs/dbraw/zinc/80/19/24/937801924.db2.gz RROBDINGHFDRGN-UONOGXRCSA-N 1 1 282.428 3.282 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)C[C@H](O)c1cccc(C)c1 ZINC001473318430 937802132 /nfs/dbraw/zinc/80/21/32/937802132.db2.gz CXSBWEVZATYBTQ-SFHVURJKSA-N 1 1 285.387 3.352 20 30 CGEDMO C#CC[N@@H+](CC1CC1)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001325513150 934917048 /nfs/dbraw/zinc/91/70/48/934917048.db2.gz PVWHAIFCYBZBDX-LBPRGKRZSA-N 1 1 258.321 3.001 20 30 CGEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)/C=C\C(C)(C)C)C2 ZINC001325614920 934920392 /nfs/dbraw/zinc/92/03/92/934920392.db2.gz XQOQCYWUCKHOJQ-OFVJYHLWSA-N 1 1 290.451 3.134 20 30 CGEDMO C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)C=C)C2 ZINC001325633516 934921710 /nfs/dbraw/zinc/92/17/10/934921710.db2.gz ZONZAYYWQLSZMC-MUJYYYPQSA-N 1 1 290.451 3.134 20 30 CGEDMO CCOc1ccc(C[N@@H+](C)[C@@H]2CC[C@H](C#N)C2)cc1OC ZINC001326241187 934962189 /nfs/dbraw/zinc/96/21/89/934962189.db2.gz WGBOAYJGQVOAMR-DZGCQCFKSA-N 1 1 288.391 3.218 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2CCCCC)C1=O ZINC001473663144 937816704 /nfs/dbraw/zinc/81/67/04/937816704.db2.gz PFJWZFXSDOWVQW-CVEARBPZSA-N 1 1 278.440 3.208 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@](C)(CO)C2)cc1 ZINC001326829769 935011411 /nfs/dbraw/zinc/01/14/11/935011411.db2.gz VGOROJBTBKIPIF-GOSISDBHSA-N 1 1 286.419 3.082 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)C(C)(C)C)CC1 ZINC001327131950 935034014 /nfs/dbraw/zinc/03/40/14/935034014.db2.gz WDOWPMSMAVYWJQ-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)CCC2CC2)C[C@H]1C ZINC001328243005 935126896 /nfs/dbraw/zinc/12/68/96/935126896.db2.gz ZCIOVZLVMBOJBA-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[N@H+](CCCC)[C@H](C)C1 ZINC001328276209 935127905 /nfs/dbraw/zinc/12/79/05/935127905.db2.gz AGGPPQOAHSFNLY-HUUCEWRRSA-N 1 1 266.429 3.112 20 30 CGEDMO CC[N@H+]1CCC[C@H](CNc2ccc3cc(C#N)ccc3n2)C1 ZINC001328491103 935143075 /nfs/dbraw/zinc/14/30/75/935143075.db2.gz ICCYGTQMUCDSEL-OAHLLOKOSA-N 1 1 294.402 3.250 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C/C=C(\C)C=C ZINC001328753022 935166680 /nfs/dbraw/zinc/16/66/80/935166680.db2.gz OCGJGMHRAWYUED-YTBHAWNYSA-N 1 1 290.451 3.398 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC1(C)C ZINC001328751696 935166785 /nfs/dbraw/zinc/16/67/85/935166785.db2.gz ACWXLZRXCSBRTK-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)C/C=C(\C)C=C ZINC001328753020 935166930 /nfs/dbraw/zinc/16/69/30/935166930.db2.gz OCGJGMHRAWYUED-ABPVARSCSA-N 1 1 290.451 3.398 20 30 CGEDMO CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](CCC)C(C)C ZINC001328766111 935167596 /nfs/dbraw/zinc/16/75/96/935167596.db2.gz QUEYQYFWJJDWOJ-SJORKVTESA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1C ZINC001329449976 935217153 /nfs/dbraw/zinc/21/71/53/935217153.db2.gz IVDLQEGWEWODGS-INIZCTEOSA-N 1 1 288.435 3.288 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)CNC(=O)C1(CC(C)C)CCCC1 ZINC001329577047 935229665 /nfs/dbraw/zinc/22/96/65/935229665.db2.gz WGVYKGFAGGRMRV-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@H](C)C1CCCC1 ZINC001329592781 935230989 /nfs/dbraw/zinc/23/09/89/935230989.db2.gz UJIYAUBXBXDQEJ-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@@](C)(CC)CCC ZINC001329586525 935231406 /nfs/dbraw/zinc/23/14/06/935231406.db2.gz CIHRPNBEKHZOGI-HOCLYGCPSA-N 1 1 268.445 3.215 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)c1ccc(C)cc1C ZINC001329609331 935232908 /nfs/dbraw/zinc/23/29/08/935232908.db2.gz OPZUHMZFMLWKDZ-MRXNPFEDSA-N 1 1 288.435 3.320 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)C1CCC(C)(C)CC1 ZINC001329624084 935235016 /nfs/dbraw/zinc/23/50/16/935235016.db2.gz OCBBFSDWGSLPLG-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C1CCN(C(=O)[C@H](C)CC)CC1 ZINC001330999891 935340933 /nfs/dbraw/zinc/34/09/33/935340933.db2.gz KYTAYENTNIERNZ-HUUCEWRRSA-N 1 1 280.456 3.310 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)[C@@H](C)C2CCC2)CC1 ZINC001331029509 935343713 /nfs/dbraw/zinc/34/37/13/935343713.db2.gz HRAZOTTTYDQJSC-HNNXBMFYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)C[C@H]2CC[C@H](C)C2)CC1 ZINC001331038405 935344452 /nfs/dbraw/zinc/34/44/52/935344452.db2.gz DUYIQEHGXMZMTC-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CCCCC(=O)N(CC[N@@H+](C)CC1CC(C)C1)C(C)C ZINC001332697616 935483603 /nfs/dbraw/zinc/48/36/03/935483603.db2.gz AWASQUDPNWDZEU-UHFFFAOYSA-N 1 1 292.467 3.005 20 30 CGEDMO CC#CC[N@H+](C)CCN(C(=O)CC(CC)CC)C(C)C ZINC001332736078 935485965 /nfs/dbraw/zinc/48/59/65/935485965.db2.gz VOCJSQNQJYXHOC-UHFFFAOYSA-N 1 1 280.456 3.005 20 30 CGEDMO N#CCC1(C[N@H+]2CCc3ccc(Cl)cc3C2)CC1 ZINC001333024424 935505304 /nfs/dbraw/zinc/50/53/04/935505304.db2.gz WAWGJRBKIYAQAB-UHFFFAOYSA-N 1 1 260.768 3.392 20 30 CGEDMO N#CCC1(C[N@@H+]2CCc3ccc(Cl)cc3C2)CC1 ZINC001333024424 935505307 /nfs/dbraw/zinc/50/53/07/935505307.db2.gz WAWGJRBKIYAQAB-UHFFFAOYSA-N 1 1 260.768 3.392 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](CCc2nsc3ccccc23)C1 ZINC001333585649 935549295 /nfs/dbraw/zinc/54/92/95/935549295.db2.gz FBFZOALLTZDVSI-CYBMUJFWSA-N 1 1 288.416 3.116 20 30 CGEDMO C#CC[N@@H+](CCc1nsc2ccccc21)CC1CC1 ZINC001333587066 935550503 /nfs/dbraw/zinc/55/05/03/935550503.db2.gz MSWXQAZTFMVUCI-UHFFFAOYSA-N 1 1 270.401 3.184 20 30 CGEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@H](C3CCC3)CC2)CCC1 ZINC001473742025 937819757 /nfs/dbraw/zinc/81/97/57/937819757.db2.gz NOINVIHPKSPCGU-IRXDYDNUSA-N 1 1 290.451 3.333 20 30 CGEDMO CCCCCCCCC[N@@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC001473753818 937820534 /nfs/dbraw/zinc/82/05/34/937820534.db2.gz IRDIVKUYHBCNIW-CALCHBBNSA-N 1 1 280.456 3.147 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1cnc(C(=O)OCC)s1 ZINC001473857100 937824978 /nfs/dbraw/zinc/82/49/78/937824978.db2.gz CYMQMFUQRDZJOB-LBPRGKRZSA-N 1 1 294.420 3.250 20 30 CGEDMO C=CCC[C@H]1CCC[N@H+]1CCC(=O)N1CCc2ccccc21 ZINC001473854949 937824996 /nfs/dbraw/zinc/82/49/96/937824996.db2.gz OZCSFATXRIUVSY-KRWDZBQOSA-N 1 1 298.430 3.396 20 30 CGEDMO C#C[C@H]1CCCC[N@@H+]1CCCOc1ccccc1C ZINC001473868400 937825984 /nfs/dbraw/zinc/82/59/84/937825984.db2.gz QMRMLOLDFURWFT-INIZCTEOSA-N 1 1 257.377 3.252 20 30 CGEDMO C=CCN1CCC([NH2+]Cc2ccc(F)cc2Cl)CC1 ZINC001473981928 937833593 /nfs/dbraw/zinc/83/35/93/937833593.db2.gz VMVMNDMZIVPKIV-UHFFFAOYSA-N 1 1 282.790 3.219 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(C)cc1O ZINC001474338889 937852725 /nfs/dbraw/zinc/85/27/25/937852725.db2.gz HSGVVYOUJFQRPT-UHFFFAOYSA-N 1 1 283.346 3.475 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc(OC)cc2CC)C1 ZINC001474390006 937856486 /nfs/dbraw/zinc/85/64/86/937856486.db2.gz RLCIDVGYNCQRSL-QGZVFWFLSA-N 1 1 275.392 3.035 20 30 CGEDMO C=CCC[C@@H](CC)[NH2+][C@@H](CC(C)(C)C)C(=O)OC ZINC001474597180 937869396 /nfs/dbraw/zinc/86/93/96/937869396.db2.gz SFFHBGSMUUCWNB-OLZOCXBDSA-N 1 1 255.402 3.299 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(F)cc(OCC)c2)C1 ZINC001474646800 937872704 /nfs/dbraw/zinc/87/27/04/937872704.db2.gz IJAHMTIGIATEJC-CYBMUJFWSA-N 1 1 261.340 3.070 20 30 CGEDMO C=C(C)C[C@@H]([NH2+]CCC1CCCCC1)C(=O)OCC ZINC001474685932 937875146 /nfs/dbraw/zinc/87/51/46/937875146.db2.gz HBGIHBWPKYQRBP-OAHLLOKOSA-N 1 1 267.413 3.444 20 30 CGEDMO C=CCC1(O)C[NH+](Cc2cc3nc(Cl)ccc3s2)C1 ZINC001474752356 937878709 /nfs/dbraw/zinc/87/87/09/937878709.db2.gz WEURIGXBIZIIMZ-UHFFFAOYSA-N 1 1 294.807 3.073 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(CC=C)CCCC1 ZINC001479276026 937918829 /nfs/dbraw/zinc/91/88/29/937918829.db2.gz STVGNSZQQUTVRN-INIZCTEOSA-N 1 1 290.451 3.232 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)CCCCC)[C@H]1C ZINC001479721623 937924810 /nfs/dbraw/zinc/92/48/10/937924810.db2.gz UBITYIXSPIYEMN-BBWFWOEESA-N 1 1 292.467 3.195 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)[C@@H]1CCCC[C@@H]1C ZINC001479853031 937927562 /nfs/dbraw/zinc/92/75/62/937927562.db2.gz YSIHVRWIRKGJSF-JKSUJKDBSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](CCCC)C(C)C)C1 ZINC001479914951 937929201 /nfs/dbraw/zinc/92/92/01/937929201.db2.gz AUHDTMFWYAFJSD-HZPDHXFCSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)/C(C)=C/CC)C1 ZINC001479945677 937929797 /nfs/dbraw/zinc/92/97/97/937929797.db2.gz KKUUDSURSOBHAH-KMPOOHAWSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCC[C@H](C(=O)N[C@H]1CC[N@@H+](CC=C)C1)c1ccccc1 ZINC001479973833 937930088 /nfs/dbraw/zinc/93/00/88/937930088.db2.gz LEPARCRSLULJCG-ROUUACIJSA-N 1 1 298.430 3.113 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)C2(C)CCC2)C1 ZINC001480081243 937931943 /nfs/dbraw/zinc/93/19/43/937931943.db2.gz DIPOMZNFTIQZLR-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](CC)CC(C)C)C1 ZINC001480088963 937932135 /nfs/dbraw/zinc/93/21/35/937932135.db2.gz NPHQGIOFZRCHKO-SJORKVTESA-N 1 1 294.483 3.415 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)C[C@@H](C)CC(C)C)C1 ZINC001480268313 937935615 /nfs/dbraw/zinc/93/56/15/937935615.db2.gz XUAKJSURCAXVDV-DLBZAZTESA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2(CC)CCCC2)C1 ZINC001480385703 937938061 /nfs/dbraw/zinc/93/80/61/937938061.db2.gz GKVDSVOFMQAUCM-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)CCC)C1 ZINC001480385056 937938098 /nfs/dbraw/zinc/93/80/98/937938098.db2.gz YQURHQZWHZLCEO-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)F)C1 ZINC001480716005 937942476 /nfs/dbraw/zinc/94/24/76/937942476.db2.gz FJYMJPTXRZORMQ-ZIAGYGMSSA-N 1 1 284.419 3.012 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)C=C)C1 ZINC001480730828 937942728 /nfs/dbraw/zinc/94/27/28/937942728.db2.gz QAGQYJHOXLODJK-OAHLLOKOSA-N 1 1 278.440 3.088 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)C(C)(C)CCC ZINC001480828296 937945215 /nfs/dbraw/zinc/94/52/15/937945215.db2.gz NOKWHYLZOOGCNO-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@H+](CC)CCNC(=O)c1ccc2cc[nH]c2c1 ZINC001493025903 937946829 /nfs/dbraw/zinc/94/68/29/937946829.db2.gz WFRWXMRTVLHGAL-UHFFFAOYSA-N 1 1 299.418 3.186 20 30 CGEDMO CCCCCC[N@H+]1CCC[C@@H]1CNC(=O)C#CC(C)(C)C ZINC001493099819 937947531 /nfs/dbraw/zinc/94/75/31/937947531.db2.gz WWKRHBCMFAPSAZ-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)C1(C)CCCC1 ZINC001493126128 937947553 /nfs/dbraw/zinc/94/75/53/937947553.db2.gz RMCOMNHKJFOYQL-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)CC(C)(C)C)C1 ZINC001493171422 937947982 /nfs/dbraw/zinc/94/79/82/937947982.db2.gz ALEVXZFPXCECLG-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](CNC(=O)c2ccsc2)C1 ZINC001493177367 937948158 /nfs/dbraw/zinc/94/81/58/937948158.db2.gz YHWPDVZRVKKGDZ-UONOGXRCSA-N 1 1 292.448 3.155 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@H]1CC[N@@H+](CCCC(C)C)C1 ZINC001493232483 937948359 /nfs/dbraw/zinc/94/83/59/937948359.db2.gz FFULMXYFUUABFT-SJLPKXTDSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)c1ccc(Cl)s1)C1CC1 ZINC001493447605 937950724 /nfs/dbraw/zinc/95/07/24/937950724.db2.gz UVZWUYDJWQOULW-UHFFFAOYSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CC(C)(C)C(=O)NCCC[N@@H+](CC=C(C)C)C(C)C ZINC001493866272 937951770 /nfs/dbraw/zinc/95/17/70/937951770.db2.gz DYRDILIEVQUYLC-UHFFFAOYSA-N 1 1 280.456 3.382 20 30 CGEDMO CC#CC[N@@H+](CCCNC(=O)[C@H]1CCCC[C@@H]1C)C(C)C ZINC001493870381 937951789 /nfs/dbraw/zinc/95/17/89/937951789.db2.gz JLRKBDKPDRKXDP-IRXDYDNUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)C2(C)CC(=C)C2)C1 ZINC001494055218 937953227 /nfs/dbraw/zinc/95/32/27/937953227.db2.gz NMLQIXPLJRMYNG-INIZCTEOSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001494327246 937954381 /nfs/dbraw/zinc/95/43/81/937954381.db2.gz VQZBIALTSDRLLR-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CCC(=O)N(C)[C@H]1CC[N@H+](CC/C=C\CC)C1 ZINC001494826213 937956547 /nfs/dbraw/zinc/95/65/47/937956547.db2.gz WLLONPDKPDPWJZ-WLMCBFPDSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C1CC(C)(C(=O)N(C)[C@H]2CC[N@H+](CCCC(C)C)C2)C1 ZINC001494855083 937956568 /nfs/dbraw/zinc/95/65/68/937956568.db2.gz LNIGZOAQVYAPGR-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)C3(CCC)CC3)CC[C@H]21 ZINC001496865714 937964435 /nfs/dbraw/zinc/96/44/35/937964435.db2.gz YNARAWXNXBOKEE-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCC(C)(C)C)C1 ZINC001496852276 937964462 /nfs/dbraw/zinc/96/44/62/937964462.db2.gz AMBUVGFNSULDEV-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)C3(CC)CC3)CC[C@@H]21 ZINC001496863966 937964613 /nfs/dbraw/zinc/96/46/13/937964613.db2.gz RBQPAADWNQKHBD-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]1CNC(=O)C1CC=CC1 ZINC001498953101 937971470 /nfs/dbraw/zinc/97/14/70/937971470.db2.gz REYVXWYPJKIKKS-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H]1CC[N@@H+]1CC/C=C/CC ZINC001499059051 937972139 /nfs/dbraw/zinc/97/21/39/937972139.db2.gz ZNESFKSWCPMGTF-IVAPMYIESA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C=C)cc1 ZINC001499063855 937972317 /nfs/dbraw/zinc/97/23/17/937972317.db2.gz RQSGZVKZZUHTHV-QGZVFWFLSA-N 1 1 284.403 3.100 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]1CNC(=O)C[C@@H](C=C)c1ccccc1 ZINC001499123840 937972479 /nfs/dbraw/zinc/97/24/79/937972479.db2.gz CXWHRIFISHIRSD-SJLPKXTDSA-N 1 1 298.430 3.113 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCCCC ZINC001499514757 937973798 /nfs/dbraw/zinc/97/37/98/937973798.db2.gz HMMSNIDFNIKJFF-CVEARBPZSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)CCC ZINC001499510669 937973829 /nfs/dbraw/zinc/97/38/29/937973829.db2.gz BMSWQXJGIMQMHQ-CABCVRRESA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@](C)(CNC(=O)CCC)C1 ZINC001500470095 937977446 /nfs/dbraw/zinc/97/74/46/937977446.db2.gz XGDNFOFJDWYNFJ-RDJZCZTQSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](C)C(C)C)C1 ZINC001500529521 937977713 /nfs/dbraw/zinc/97/77/13/937977713.db2.gz HJYOHTIQLIGLAX-DOTOQJQBSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCCC)C1 ZINC001502404381 937982401 /nfs/dbraw/zinc/98/24/01/937982401.db2.gz GEEBRVMOOQAOAL-SJORKVTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC(C)(C)CC)C2 ZINC001502543724 937982676 /nfs/dbraw/zinc/98/26/76/937982676.db2.gz LWWISXFHBBOCRA-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1CC[N@H+](CCC)CC1(C)C ZINC001502832713 937983775 /nfs/dbraw/zinc/98/37/75/937983775.db2.gz XUVBMXWRNFZOAU-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)/C(C)=C/CC)C[C@@H]1C ZINC001502905382 937983831 /nfs/dbraw/zinc/98/38/31/937983831.db2.gz ASNVQFAHXHFILS-GQXMGIGRSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1C[N@H+](C)CCCC ZINC001505445226 937985655 /nfs/dbraw/zinc/98/56/55/937985655.db2.gz QRQJJBCWSJIEQG-NVXWUHKLSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCCC(=O)N1CCC([C@@H]2CCC[N@H+](CC)C2)CC1 ZINC001505475005 937985732 /nfs/dbraw/zinc/98/57/32/937985732.db2.gz HNOFOSHGKSWXHX-QGZVFWFLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC(=O)NC[C@H](C)[N@@H+](C)CC1CCCCCC1 ZINC001505884769 937987825 /nfs/dbraw/zinc/98/78/25/937987825.db2.gz NFAUISAYMPIYQN-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)c1cccc2[nH]ccc21 ZINC001506005785 937988764 /nfs/dbraw/zinc/98/87/64/937988764.db2.gz IJUGLORBLNSZRT-CQSZACIVSA-N 1 1 299.418 3.184 20 30 CGEDMO C=CCCCC(=O)NC[C@H]1CCCCC[N@H+]1CCC=C ZINC001506572663 937990916 /nfs/dbraw/zinc/99/09/16/937990916.db2.gz LRIVDPQMLVRVKQ-MRXNPFEDSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1C[N@H+](C[C@H](C)CC)CC1(C)C ZINC001506743593 937991705 /nfs/dbraw/zinc/99/17/05/937991705.db2.gz IPDVYMOUVCRIAD-KGLIPLIRSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[N@H+](C[C@H](C)CC(C)C)CC1(C)C ZINC001506733493 937991719 /nfs/dbraw/zinc/99/17/19/937991719.db2.gz ZFXDKHWQWKPXPJ-HZPDHXFCSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)CCC)C(C)(C)C1 ZINC001506733617 937991819 /nfs/dbraw/zinc/99/18/19/937991819.db2.gz ZYNYRXIEWADSOC-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC([N@@H+](C)C/C=C\Cl)CC1 ZINC001506961711 937993197 /nfs/dbraw/zinc/99/31/97/937993197.db2.gz XWKCFAOXNXPVDN-TWGQIWQCSA-N 1 1 298.858 3.264 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)CCC2CC2)[C@H]1C ZINC001507372055 937995423 /nfs/dbraw/zinc/99/54/23/937995423.db2.gz ITVCQCQRIXXRAH-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CCC[N@@H+](CCCF)[C@H]2C)CCC1 ZINC001507386339 937995920 /nfs/dbraw/zinc/99/59/20/937995920.db2.gz UZOQQPRZBNJAGQ-LSDHHAIUSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC=C(CNC(=O)CCC(=C)C)CC1 ZINC001508207259 937998739 /nfs/dbraw/zinc/99/87/39/937998739.db2.gz QYPQANVGDMFXMO-MRXNPFEDSA-N 1 1 290.451 3.446 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)[C@H](F)C(C)C)CC1 ZINC001508215856 937998743 /nfs/dbraw/zinc/99/87/43/937998743.db2.gz XDZVGCICQHSTKF-GOEBONIOSA-N 1 1 296.430 3.084 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)C2(C)CCC(C)CC2)CC1 ZINC001508228662 937998832 /nfs/dbraw/zinc/99/88/32/937998832.db2.gz HOGNVIJTBZPNCI-UHFFFAOYSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)C2(C)CC(=C)C2)CC1 ZINC001508220844 937998885 /nfs/dbraw/zinc/99/88/85/937998885.db2.gz WMZLYXUTBRRCLO-UHFFFAOYSA-N 1 1 288.435 3.057 20 30 CGEDMO C=CC(C)(C)CC(=O)OCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001518443193 938015509 /nfs/dbraw/zinc/01/55/09/938015509.db2.gz OVXVZTDZSQYDNX-AGUYFDCRSA-N 1 1 265.397 3.005 20 30 CGEDMO CCCCCCCC(=O)N1CC[N@@H+](CC)C[C@@H]1CC ZINC001525710358 938050961 /nfs/dbraw/zinc/05/09/61/938050961.db2.gz RSDNDYPRBHTKHB-HNNXBMFYSA-N 1 1 268.445 3.290 20 30 CGEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)CCCCCCC ZINC001542186118 938135322 /nfs/dbraw/zinc/13/53/22/938135322.db2.gz MCZVFSHAIOAWQU-SJORKVTESA-N 1 1 292.467 3.197 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)CCCCCCC ZINC001542186118 938135323 /nfs/dbraw/zinc/13/53/23/938135323.db2.gz MCZVFSHAIOAWQU-SJORKVTESA-N 1 1 292.467 3.197 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@@]1(CO)CCC ZINC001559800502 938235963 /nfs/dbraw/zinc/23/59/63/938235963.db2.gz BZCIISYBJGBVMN-MRXNPFEDSA-N 1 1 251.414 3.197 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)[C@@](C)(CC)CCC ZINC001556466564 938203963 /nfs/dbraw/zinc/20/39/63/938203963.db2.gz DQZFTDPZKITNQA-INIZCTEOSA-N 1 1 268.445 3.169 20 30 CGEDMO CCCCCCCC[C@@H](CO)Nc1[nH+]cnc2[nH]ccc21 ZINC001559300599 938224953 /nfs/dbraw/zinc/22/49/53/938224953.db2.gz XWOAQPKWFTYVPL-ZDUSSCGKSA-N 1 1 290.411 3.481 20 30 CGEDMO C#C[C@](C)(CC)[NH2+]Cc1ccn(-c2ccc(Cl)cc2)n1 ZINC001559851571 938237105 /nfs/dbraw/zinc/23/71/05/938237105.db2.gz OPLCDZLFFMHEHE-MRXNPFEDSA-N 1 1 287.794 3.417 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](C[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC001559983268 938240982 /nfs/dbraw/zinc/24/09/82/938240982.db2.gz LUEFRNZRPWWGKL-ZIAGYGMSSA-N 1 1 282.428 3.188 20 30 CGEDMO C#CC[C@H]1CC[N@H+](CCc2cccc(OC(F)(F)F)c2)C1 ZINC001560136134 938244751 /nfs/dbraw/zinc/24/47/51/938244751.db2.gz LZJOPXGAOANXCJ-AWEZNQCLSA-N 1 1 297.320 3.473 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CCC(C)(C)[C@@H](c2ccccc2)C1 ZINC001560180851 938246349 /nfs/dbraw/zinc/24/63/49/938246349.db2.gz HGNMPURQNLKERY-SJORKVTESA-N 1 1 273.420 3.439 20 30 CGEDMO C=CCC[C@@H]1CCC[N@H+]1C[C@@H]1COC2(CCCCC2)O1 ZINC001560200371 938246742 /nfs/dbraw/zinc/24/67/42/938246742.db2.gz VJQRGGMLMGVPNS-HZPDHXFCSA-N 1 1 279.424 3.493 20 30 CGEDMO C=CCCC[N@H+](CC)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC001560204536 938246994 /nfs/dbraw/zinc/24/69/94/938246994.db2.gz OUYCRSRIHNAJAF-NEPJUHHUSA-N 1 1 265.319 3.384 20 30 CGEDMO C#CC[N@@H+](CC#CC)Cc1cccc(Oc2ccccn2)c1 ZINC001560687201 938269998 /nfs/dbraw/zinc/26/99/98/938269998.db2.gz HYWMTYIYFMHQOK-UHFFFAOYSA-N 1 1 290.366 3.332 20 30 CGEDMO C#CC[N@H+](CC#CC)Cc1cccc(Oc2ccccn2)c1 ZINC001560687201 938269999 /nfs/dbraw/zinc/26/99/99/938269999.db2.gz HYWMTYIYFMHQOK-UHFFFAOYSA-N 1 1 290.366 3.332 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](C[C@H]2CCc3ccccc3C2)C1 ZINC001560906885 938283366 /nfs/dbraw/zinc/28/33/66/938283366.db2.gz WEDJXEYJBWAINN-HOTGVXAUSA-N 1 1 253.389 3.137 20 30 CGEDMO C=CCC[C@H](CCC)[NH2+][C@@H](CC(=C)C)C(=O)OC ZINC001560967205 938286829 /nfs/dbraw/zinc/28/68/29/938286829.db2.gz AFBMETYKLJHRCA-KBPBESRZSA-N 1 1 253.386 3.219 20 30 CGEDMO C#CCC1([NH2+]Cc2cc(F)c(F)cc2O)CCCCC1 ZINC001561020279 938290082 /nfs/dbraw/zinc/29/00/82/938290082.db2.gz BUEBKQOZOQVIQP-UHFFFAOYSA-N 1 1 279.330 3.486 20 30 CGEDMO C=CCCC[N@H+](CC)CCNC(=O)[C@]1(C)CCC[C@@H]1C ZINC001480998157 957699856 /nfs/dbraw/zinc/69/98/56/957699856.db2.gz JDLNEDBJXCSHRW-DOTOQJQBSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)c1ccc(C)c(Cl)c1 ZINC001480997924 957701230 /nfs/dbraw/zinc/70/12/30/957701230.db2.gz OZAYVLMKNDTOCC-UHFFFAOYSA-N 1 1 294.826 3.276 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)c1cccc(C)c1 ZINC001317437130 960432342 /nfs/dbraw/zinc/43/23/42/960432342.db2.gz MRJICWBEBCGWOP-HNNXBMFYSA-N 1 1 274.408 3.011 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)C(F)=C1CCCC1)C(C)C ZINC001571610921 960467735 /nfs/dbraw/zinc/46/77/35/960467735.db2.gz GIQUMPUKVIBMGK-UHFFFAOYSA-N 1 1 282.403 3.139 20 30 CGEDMO COc1ccc(C[NH2+][C@H](C)CC#N)cc1OCC(C)C ZINC001461724750 960500649 /nfs/dbraw/zinc/50/06/49/960500649.db2.gz QQBDBQLLGSVTGH-CYBMUJFWSA-N 1 1 276.380 3.122 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@H]1CCC[N@@H+](CCC(=C)C)C1 ZINC001566877282 960572504 /nfs/dbraw/zinc/57/25/04/960572504.db2.gz UHKOXAWBLZATRS-IAGOWNOFSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)C(C)=C2CCCC2)C1 ZINC001567909166 960603125 /nfs/dbraw/zinc/60/31/25/960603125.db2.gz YXKVWEHXRMRTTO-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C[C@@H](CC)CCCC)[C@H]1C ZINC001566098582 960880667 /nfs/dbraw/zinc/88/06/67/960880667.db2.gz REIKZPGYNPOQON-PMPSAXMXSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)CCCCC)[C@H]1C ZINC001566106004 960881716 /nfs/dbraw/zinc/88/17/16/960881716.db2.gz ZREJDPFXHSJVTL-OAGGEKHMSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CCCCC ZINC001566119476 960888910 /nfs/dbraw/zinc/88/89/10/960888910.db2.gz KEUMOTITKIDDIO-INIZCTEOSA-N 1 1 280.456 3.456 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)/C=C(/C)C2CC2)CC(C)(C)C1 ZINC001566128579 960890559 /nfs/dbraw/zinc/89/05/59/960890559.db2.gz WFRZJKHWNGFWOA-QBOMHBFWSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@H]1C[N@H+](C)CCCCC ZINC001566119972 960893903 /nfs/dbraw/zinc/89/39/03/960893903.db2.gz QXUYDKCXZULRLC-INIZCTEOSA-N 1 1 280.456 3.456 20 30 CGEDMO C#CC[N@@H+](CC)CCCNC(=O)CCC1CCCCCC1 ZINC001566558328 960948153 /nfs/dbraw/zinc/94/81/53/960948153.db2.gz ROEVBARLYZOHKA-UHFFFAOYSA-N 1 1 292.467 3.198 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)[C@H](C)C(C)(C)C ZINC001566555272 960950592 /nfs/dbraw/zinc/95/05/92/960950592.db2.gz UGLRLXOSFLKKER-AWEZNQCLSA-N 1 1 268.445 3.073 20 30 CGEDMO C=CCC[N@@H+](C)CCCNC(=O)C1CCC(C2CC2)CC1 ZINC001566513046 960954162 /nfs/dbraw/zinc/95/41/62/960954162.db2.gz MVJDIZFGXLBARZ-UHFFFAOYSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(Cl)C[N@@H+](CCCNC(=O)/C=C(\C)CC)C1CC1 ZINC001566586860 960962730 /nfs/dbraw/zinc/96/27/30/960962730.db2.gz XTBRYWQDIWHHBM-ZRDIBKRKSA-N 1 1 284.831 3.066 20 30 CGEDMO C=C(Cl)C[N@H+](CCCNC(=O)/C=C(\C)CC)C1CC1 ZINC001566586860 960962742 /nfs/dbraw/zinc/96/27/42/960962742.db2.gz XTBRYWQDIWHHBM-ZRDIBKRKSA-N 1 1 284.831 3.066 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[N@H+](C[C@H](C)CC)C2)CCCC1 ZINC001566684453 960985644 /nfs/dbraw/zinc/98/56/44/960985644.db2.gz OLTUXRXDAAILRA-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)CC ZINC001566751695 961012190 /nfs/dbraw/zinc/01/21/90/961012190.db2.gz XDNBNIFREXKQAX-LUKYLMHMSA-N 1 1 292.467 3.453 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)C(C)C ZINC001566927129 961060159 /nfs/dbraw/zinc/06/01/59/961060159.db2.gz KUNCLMQCXCVVBK-JKSUJKDBSA-N 1 1 280.456 3.215 20 30 CGEDMO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)C[C@H](C)CC(C)C ZINC001566929068 961062703 /nfs/dbraw/zinc/06/27/03/961062703.db2.gz SMNFYOPFFORIPM-SJORKVTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2(CCCC)CC2)C1 ZINC001566966549 961074847 /nfs/dbraw/zinc/07/48/47/961074847.db2.gz WTQWDPVSTFIQMF-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)C2(CCC)CC2)C1 ZINC001567199614 961142130 /nfs/dbraw/zinc/14/21/30/961142130.db2.gz YLZXWSRFXURFBZ-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC2(C)C)C1 ZINC001567196778 961142382 /nfs/dbraw/zinc/14/23/82/961142382.db2.gz QFURQWVQJRSZHQ-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)CCCC2CC2)C1 ZINC001567196695 961142700 /nfs/dbraw/zinc/14/27/00/961142700.db2.gz PBKGFNSVAVYIDM-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CCC(=O)NCC[N@H+](C)[C@H](C)c1cccc(F)c1 ZINC001567284646 961255783 /nfs/dbraw/zinc/25/57/83/961255783.db2.gz QMDALHAGEHVEJV-CQSZACIVSA-N 1 1 292.398 3.291 20 30 CGEDMO C=C(C)CCC(=O)NCC[N@H+](C)[C@H]1CCc2ccccc21 ZINC001567284707 961265427 /nfs/dbraw/zinc/26/54/27/961265427.db2.gz SIMCPAQAKZVARO-KRWDZBQOSA-N 1 1 286.419 3.078 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1CC[N@H+](C[C@@H](C)CC)C1 ZINC001567403676 961320496 /nfs/dbraw/zinc/32/04/96/961320496.db2.gz TWAAVEHUMCTBMR-GJZGRUSLSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)CC2(C)CCCCC2)C1 ZINC001567404846 961322447 /nfs/dbraw/zinc/32/24/47/961322447.db2.gz GSGZMAVTGRKMPO-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)CC[C@@H](C)CC)C1 ZINC001567415582 961323338 /nfs/dbraw/zinc/32/33/38/961323338.db2.gz OUTZXVVTFGEBLG-JKSUJKDBSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)C(CC)CC)C1 ZINC001567404622 961329429 /nfs/dbraw/zinc/32/94/29/961329429.db2.gz AXKSCZQJVRFRTD-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@@H+](CCNC(=O)C12CCC(CC1)CC2)C1CC1 ZINC001567454138 961355986 /nfs/dbraw/zinc/35/59/86/961355986.db2.gz JBTUFXBIRKOSSR-UHFFFAOYSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)c1cc(Cl)c[nH]1)C(C)C ZINC001567636430 961376054 /nfs/dbraw/zinc/37/60/54/961376054.db2.gz FBMKUSSSTKEIJE-UHFFFAOYSA-N 1 1 297.830 3.075 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)C2CCCCC2)C1 ZINC001567678645 961389528 /nfs/dbraw/zinc/38/95/28/961389528.db2.gz RXUFUTJDTDIMRB-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC(C)(C)C(=O)NCC[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001567709523 961407976 /nfs/dbraw/zinc/40/79/76/961407976.db2.gz QATDFQHTMXBNTJ-INIZCTEOSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@H]2C=CCC2)C1 ZINC001567722378 961416658 /nfs/dbraw/zinc/41/66/58/961416658.db2.gz IVQRYWGMAPIJHO-IRXDYDNUSA-N 1 1 290.451 3.089 20 30 CGEDMO CCCCCCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[C@@H]2C)C1 ZINC001567735443 961419426 /nfs/dbraw/zinc/41/94/26/961419426.db2.gz NOWALULSKJWDLF-BBWFWOEESA-N 1 1 294.483 3.393 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[C@H](C[N@@H+](C)CC=C(C)C)C1 ZINC001567735716 961420357 /nfs/dbraw/zinc/42/03/57/961420357.db2.gz FYPVMAMLLMXPMG-IAGOWNOFSA-N 1 1 292.467 3.335 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CCC[N@H+](CC=C(C)C)C1 ZINC001567775153 961425555 /nfs/dbraw/zinc/42/55/55/961425555.db2.gz QKAGGJUKFYRNKJ-KRWDZBQOSA-N 1 1 290.451 3.302 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCCCC ZINC001567863640 961445849 /nfs/dbraw/zinc/44/58/49/961445849.db2.gz ISKYMZGAEOOTMG-HOTGVXAUSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CCC(CC=C)C(=O)N(C)[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001567911214 961456612 /nfs/dbraw/zinc/45/66/12/961456612.db2.gz LVRCRNDFQDUVLE-KRWDZBQOSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001567922717 961462654 /nfs/dbraw/zinc/46/26/54/961462654.db2.gz XZHAGEQVMSOODZ-GJZGRUSLSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC23CC3)C1 ZINC001567913413 961465713 /nfs/dbraw/zinc/46/57/13/961465713.db2.gz BBRWKIZYEZJZMH-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CCC(=O)N(C)[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001567914662 961465825 /nfs/dbraw/zinc/46/58/25/961465825.db2.gz FNOKHSOBLHLTQA-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)c1ccc(C)cc1F ZINC001568496739 961590328 /nfs/dbraw/zinc/59/03/28/961590328.db2.gz GWFSRPPBOUBHPC-UHFFFAOYSA-N 1 1 292.398 3.104 20 30 CGEDMO C=CC[N@H+](C)CCN(C)C(=O)C[C@H]1CCCCC1(C)C ZINC001568506429 961602238 /nfs/dbraw/zinc/60/22/38/961602238.db2.gz JFENTSZDELZUFH-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)c1cccc2ccccc21 ZINC001568504336 961602424 /nfs/dbraw/zinc/60/24/24/961602424.db2.gz ZPNCSVMQNKOQMO-UHFFFAOYSA-N 1 1 296.414 3.420 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2CN(C(=O)CCCCC)CC[C@@H]21 ZINC001568508601 961604689 /nfs/dbraw/zinc/60/46/89/961604689.db2.gz NMZKSJDGRIJHMZ-HOTGVXAUSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)c1ccccc1CCC ZINC001569127122 961696675 /nfs/dbraw/zinc/69/66/75/961696675.db2.gz VRKLGYOJBBNJPC-OAHLLOKOSA-N 1 1 288.435 3.265 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)c1ccc2[nH]ccc2c1 ZINC001569135213 961702515 /nfs/dbraw/zinc/70/25/15/961702515.db2.gz SUTJORFBSATMAT-CQSZACIVSA-N 1 1 299.418 3.184 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)CCC1CCC1 ZINC001569351976 961744386 /nfs/dbraw/zinc/74/43/86/961744386.db2.gz BUWZDTXFJXMZDN-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H]1CNC(=O)[C@@]1(C)C=CCC1 ZINC001569369533 961756282 /nfs/dbraw/zinc/75/62/82/961756282.db2.gz HRNHEXICCOZBBJ-WMZOPIPTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+](CC1CC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001569451365 961768290 /nfs/dbraw/zinc/76/82/90/961768290.db2.gz YWWDRSVJGRHXEA-UHFFFAOYSA-N 1 1 298.430 3.189 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CC(C)C1 ZINC001569616777 961799724 /nfs/dbraw/zinc/79/97/24/961799724.db2.gz LJHNKYIQIHFNHV-BACDZXNISA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@]1(C)CC[N@H+](C[C@H](C)CC)C1 ZINC001569638984 961815552 /nfs/dbraw/zinc/81/55/52/961815552.db2.gz KWXANCVOBMNRLK-PBHICJAKSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@@H+]1CCC[C@](C)(CNC(=O)CC2(C)CCCC2)C1 ZINC001569712908 961832684 /nfs/dbraw/zinc/83/26/84/961832684.db2.gz FUFXCRGNYLIGRO-GOSISDBHSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(CC)CC)C2 ZINC001569794817 961839786 /nfs/dbraw/zinc/83/97/86/961839786.db2.gz OIFSQCDXTCLQDB-ULQDDVLXSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC/C=C\CC)C2 ZINC001569794756 961839877 /nfs/dbraw/zinc/83/98/77/961839877.db2.gz NDUNRJKILFMYES-UAFPWDQCSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CN(C(=O)C[C@@H](C)CC(C)C)C[C@H]2C1 ZINC001569882877 961857367 /nfs/dbraw/zinc/85/73/67/961857367.db2.gz YTYXIVNTWXMYTM-YESZJQIVSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC(C)(C)C)C2 ZINC001569855637 961862059 /nfs/dbraw/zinc/86/20/59/961862059.db2.gz JYUMFLIUAMHHEH-MUJYYYPQSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@H+]1C[C@H]2CN(C(=O)[C@H](C)C(CC)CC)C[C@H]2C1 ZINC001569877616 961865322 /nfs/dbraw/zinc/86/53/22/961865322.db2.gz SSVXPSVGZMJZHP-OIISXLGYSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CC[N@H+](C)Cc1ccccc1CNC(=O)C[C@H]1C=CCC1 ZINC001570025721 961883132 /nfs/dbraw/zinc/88/31/32/961883132.db2.gz MXEMXKKQZDHXTK-INIZCTEOSA-N 1 1 298.430 3.277 20 30 CGEDMO C=CC[N@@H+]1CCc2c(CNC(=O)C3(C)CCC3)cccc2C1 ZINC001570077962 961892793 /nfs/dbraw/zinc/89/27/93/961892793.db2.gz HFHNLJJQIQAUKX-UHFFFAOYSA-N 1 1 298.430 3.037 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CCC[N@H+](CC[C@H](C)F)CC1 ZINC001570183456 961925037 /nfs/dbraw/zinc/92/50/37/961925037.db2.gz LDUFSCFOUONRLE-GJZGRUSLSA-N 1 1 298.446 3.308 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)c1ccccc1C ZINC001570189173 961925491 /nfs/dbraw/zinc/92/54/91/961925491.db2.gz OJFIPSLMYHGRTN-UHFFFAOYSA-N 1 1 288.435 3.355 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)CC)C(C)(C)C1 ZINC001570391028 961961646 /nfs/dbraw/zinc/96/16/46/961961646.db2.gz CLCAEMGQSZRPMK-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@@H+](CC(=C)C)[C@@H](C)C1 ZINC001570437521 961969424 /nfs/dbraw/zinc/96/94/24/961969424.db2.gz NXRNUUZWWHCEOR-LSDHHAIUSA-N 1 1 278.440 3.134 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@@H]2C[N@H+](C)CCCCC)C1 ZINC001570540370 961985898 /nfs/dbraw/zinc/98/58/98/961985898.db2.gz OATFRLJEJYNLQP-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC12CC2 ZINC001570534245 961986786 /nfs/dbraw/zinc/98/67/86/961986786.db2.gz FRWAUEBIWKNONA-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@H]1C=CCCC1 ZINC001570534223 961992050 /nfs/dbraw/zinc/99/20/50/961992050.db2.gz FHCJYQLIVWPMPE-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1C[N@H+](CC2CC(C)C2)CC1(C)C ZINC001570897428 962110035 /nfs/dbraw/zinc/11/00/35/962110035.db2.gz RCQNUBAZOJBQOB-GPANFISMSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)C2CCCC2)CC1 ZINC001571327993 962134895 /nfs/dbraw/zinc/13/48/95/962134895.db2.gz DJGUQVCNBLVHGU-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)C1CCN(C(=O)[C@H]2C[C@@H]2C(C)C)CC1 ZINC001571335141 962135366 /nfs/dbraw/zinc/13/53/66/962135366.db2.gz XTYZGZXPHVBNCT-SJORKVTESA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CCC[N@@H+](CCC(=C)C)[C@@H]1C ZINC001571522748 962171625 /nfs/dbraw/zinc/17/16/25/962171625.db2.gz JKYPSUYXJUJKFT-CVEARBPZSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C(CC)CC)[C@@H]1C ZINC001571515097 962171998 /nfs/dbraw/zinc/17/19/98/962171998.db2.gz OBYBPMSTCCYLKE-GOEBONIOSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)F)[C@@H]1C ZINC001571512763 962172660 /nfs/dbraw/zinc/17/26/60/962172660.db2.gz KNJGXIMQKFHTGB-LSDHHAIUSA-N 1 1 298.446 3.450 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@@H](C)C(C)C)CCC[C@H]12 ZINC001571502784 962173220 /nfs/dbraw/zinc/17/32/20/962173220.db2.gz IXGOSFLSHGEOPU-OFQRWUPVSA-N 1 1 298.858 3.144 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@@H](C)C(C)C)CCC[C@H]12 ZINC001571502784 962173233 /nfs/dbraw/zinc/17/32/33/962173233.db2.gz IXGOSFLSHGEOPU-OFQRWUPVSA-N 1 1 298.858 3.144 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)CCC(=C)C)CCC[C@H]12 ZINC001571500192 962173709 /nfs/dbraw/zinc/17/37/09/962173709.db2.gz ATFJQWRVOIORLS-RDJZCZTQSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)/C=C/c1ccco1)C(C)C ZINC001571609937 962186891 /nfs/dbraw/zinc/18/68/91/962186891.db2.gz ZIFHLSSRGQMRAJ-MDZDMXLPSA-N 1 1 290.407 3.038 20 30 CGEDMO C#CC[C@]1(C(=O)Oc2ccc(CCCC)cc2)CCC[NH2+]1 ZINC001574524932 962309322 /nfs/dbraw/zinc/30/93/22/962309322.db2.gz ANAGDDACKKJPGZ-GOSISDBHSA-N 1 1 285.387 3.080 20 30 CGEDMO C#CC[C@]1(C(=O)O[C@@H](C)c2ccc(Cl)cc2)CCC[NH2+]1 ZINC001574525228 962313529 /nfs/dbraw/zinc/31/35/29/962313529.db2.gz GABHGEMJLCMWQG-BLLLJJGKSA-N 1 1 291.778 3.090 20 30 CGEDMO C=C(C)CC[N@H+]1CCOC[C@H]1C[C@@H]1CNc2ccccc21 ZINC001574834446 962324372 /nfs/dbraw/zinc/32/43/72/962324372.db2.gz CBDVVQWMUQYBAV-HZPDHXFCSA-N 1 1 286.419 3.253 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Cl)cc1)[C@@H](C)COC ZINC000621317428 349494510 /nfs/dbraw/zinc/49/45/10/349494510.db2.gz BUJOOGIQLLWBKK-LBPRGKRZSA-N 1 1 253.773 3.363 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Cl)cc1)[C@H](C)COC ZINC000621317427 349494779 /nfs/dbraw/zinc/49/47/79/349494779.db2.gz BUJOOGIQLLWBKK-GFCCVEGCSA-N 1 1 253.773 3.363 20 30 CGEDMO C=CCCc1noc(C2CCN(c3ccc(C)c[nH+]3)CC2)n1 ZINC000651357554 398232407 /nfs/dbraw/zinc/23/24/07/398232407.db2.gz VOTLVSGVBGYPGB-UHFFFAOYSA-N 1 1 298.390 3.276 20 30 CGEDMO N#Cc1ccccc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000337635542 214190672 /nfs/dbraw/zinc/19/06/72/214190672.db2.gz BSDGYLGDBMNNKZ-UHFFFAOYSA-N 1 1 295.361 3.020 20 30 CGEDMO Cc1cnc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)cn1 ZINC000589971082 346819307 /nfs/dbraw/zinc/81/93/07/346819307.db2.gz JGESERXZWVUMRW-QWHCGFSZSA-N 1 1 266.348 3.069 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000589996704 346820995 /nfs/dbraw/zinc/82/09/95/346820995.db2.gz DEHHUKPWQMQPSC-CABCVRRESA-N 1 1 276.330 3.344 20 30 CGEDMO C[N@@H+](CCOCCC#N)Cc1ccc(C(F)(F)F)cc1 ZINC000590153165 346832799 /nfs/dbraw/zinc/83/27/99/346832799.db2.gz JESLVCIZMBWUAN-UHFFFAOYSA-N 1 1 286.297 3.067 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000590599189 346854170 /nfs/dbraw/zinc/85/41/70/346854170.db2.gz BLXACJNRNMSBEW-QGZVFWFLSA-N 1 1 277.371 3.333 20 30 CGEDMO C=CC[C@H]1CC[C@@H](Nc2cc(CCOC)cc[nH+]2)C1 ZINC000651805583 398289901 /nfs/dbraw/zinc/28/99/01/398289901.db2.gz WLDYBSFFDBWJLL-DZGCQCFKSA-N 1 1 260.381 3.427 20 30 CGEDMO CCC(CC)C[N@H+](CCC#N)[C@@H]1CCCN(C(C)C)C1=O ZINC000192610987 282162167 /nfs/dbraw/zinc/16/21/67/282162167.db2.gz NOQKWBFJZRRFOP-MRXNPFEDSA-N 1 1 293.455 3.038 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)[C@@H]1CCCN(C(C)C)C1=O ZINC000192610987 282162170 /nfs/dbraw/zinc/16/21/70/282162170.db2.gz NOQKWBFJZRRFOP-MRXNPFEDSA-N 1 1 293.455 3.038 20 30 CGEDMO CC(C)C[C@]1(C)CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000590749381 346871926 /nfs/dbraw/zinc/87/19/26/346871926.db2.gz ZRRTUSNFHGBBTF-INIZCTEOSA-N 1 1 257.381 3.354 20 30 CGEDMO CC1(C)C[N@@H+](CCC2(C#N)CCCCC2)CCCO1 ZINC000591014518 346894516 /nfs/dbraw/zinc/89/45/16/346894516.db2.gz DKZUUFLFMUWWLK-UHFFFAOYSA-N 1 1 264.413 3.351 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+](Cc1cnn(C)c1)CC(C)C ZINC000590967956 346891942 /nfs/dbraw/zinc/89/19/42/346891942.db2.gz LGFDWPWSRADCAW-UHFFFAOYSA-N 1 1 296.418 3.258 20 30 CGEDMO COC(=O)[C@@H]1CCCCC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000591026186 346896081 /nfs/dbraw/zinc/89/60/81/346896081.db2.gz HVZWKRHRCWZALH-HNNXBMFYSA-N 1 1 292.423 3.268 20 30 CGEDMO COC(=O)[C@@H]1CCCCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000591026186 346896083 /nfs/dbraw/zinc/89/60/83/346896083.db2.gz HVZWKRHRCWZALH-HNNXBMFYSA-N 1 1 292.423 3.268 20 30 CGEDMO CC[C@@](C)(C#N)C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000354546444 529491696 /nfs/dbraw/zinc/49/16/96/529491696.db2.gz UZCRQQXEPFEOFE-SFHVURJKSA-N 1 1 299.418 3.202 20 30 CGEDMO CC[C@H]([NH2+]Cc1ccn(CC)n1)c1ccc(C#N)cc1 ZINC000414203125 529633873 /nfs/dbraw/zinc/63/38/73/529633873.db2.gz DNIZFWOOHRCWIJ-INIZCTEOSA-N 1 1 268.364 3.016 20 30 CGEDMO CC[C@H]([NH2+][C@H](C)c1ccn(C)n1)c1ccc(C#N)cc1 ZINC000414184847 529667515 /nfs/dbraw/zinc/66/75/15/529667515.db2.gz OLWOOZUQVVGYCI-DOMZBBRYSA-N 1 1 268.364 3.094 20 30 CGEDMO CCc1nc(C[NH2+][C@@H](C)c2cccc(C#N)c2)cs1 ZINC000174431206 529740523 /nfs/dbraw/zinc/74/05/23/529740523.db2.gz FESQKHQVPFIGBO-NSHDSACASA-N 1 1 271.389 3.428 20 30 CGEDMO CCc1onc(C)c1NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000330303727 529770541 /nfs/dbraw/zinc/77/05/41/529770541.db2.gz PLCAEEXOTACRJM-GFCCVEGCSA-N 1 1 279.384 3.398 20 30 CGEDMO N#Cc1cnccc1C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000592055095 346958378 /nfs/dbraw/zinc/95/83/78/346958378.db2.gz IIKALWCKPLYOMJ-AWEZNQCLSA-N 1 1 269.373 3.352 20 30 CGEDMO N#Cc1cnccc1C[N@H+]1CCC[C@H]1c1cccs1 ZINC000592055095 346958382 /nfs/dbraw/zinc/95/83/82/346958382.db2.gz IIKALWCKPLYOMJ-AWEZNQCLSA-N 1 1 269.373 3.352 20 30 CGEDMO C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cc1ccncc1C#N ZINC000592071212 346960308 /nfs/dbraw/zinc/96/03/08/346960308.db2.gz CNMRUUWJCFBDHJ-RDJZCZTQSA-N 1 1 291.398 3.406 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)CCC[C@H]1CCOC1 ZINC000592073421 346961398 /nfs/dbraw/zinc/96/13/98/346961398.db2.gz YHGYBLUKFAXPTM-AWEZNQCLSA-N 1 1 252.402 3.065 20 30 CGEDMO Cc1ccc(C[N@@H+](CCCCC#N)CC2CC2)cn1 ZINC000592145102 346967002 /nfs/dbraw/zinc/96/70/02/346967002.db2.gz PHTYWCUIOHLNJI-UHFFFAOYSA-N 1 1 257.381 3.296 20 30 CGEDMO N#CC[C@@]1(O)CC[N@@H+](Cc2ccc(-c3ccsc3)cc2)C1 ZINC000592154890 346967746 /nfs/dbraw/zinc/96/77/46/346967746.db2.gz VLTSVHNXWPRGAB-QGZVFWFLSA-N 1 1 298.411 3.266 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000592182467 346969382 /nfs/dbraw/zinc/96/93/82/346969382.db2.gz AXJUNNVOPDVRPL-HNNXBMFYSA-N 1 1 284.403 3.258 20 30 CGEDMO CC(C)C[C@@]1(C)CCC[N@H+]1Cc1ccncc1C#N ZINC000592124338 346965037 /nfs/dbraw/zinc/96/50/37/346965037.db2.gz CNTHKWMTANVISP-MRXNPFEDSA-N 1 1 257.381 3.354 20 30 CGEDMO CN(CCC[N@@H+](C)CCCC(C)(C)C#N)Cc1ccco1 ZINC000353569822 529886106 /nfs/dbraw/zinc/88/61/06/529886106.db2.gz GLWFOZPUHWOAFM-UHFFFAOYSA-N 1 1 291.439 3.363 20 30 CGEDMO CC[N@@H+](CCc1cncc(C)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000592998719 347025879 /nfs/dbraw/zinc/02/58/79/347025879.db2.gz FXQRYNWRWKRZJJ-HNNXBMFYSA-N 1 1 294.402 3.282 20 30 CGEDMO CC[C@H](OCC[N@H+](C)C[C@H](C)C#N)c1ccccc1 ZINC000593007048 347026560 /nfs/dbraw/zinc/02/65/60/347026560.db2.gz JAUQAQJMMQHOLI-ZBFHGGJFSA-N 1 1 260.381 3.246 20 30 CGEDMO CC[C@H](OCC[N@@H+](C)C[C@H](C)C#N)c1ccccc1 ZINC000593007048 347026561 /nfs/dbraw/zinc/02/65/61/347026561.db2.gz JAUQAQJMMQHOLI-ZBFHGGJFSA-N 1 1 260.381 3.246 20 30 CGEDMO N#CCCn1cc(C(=O)C[NH+]2CCCCC2)c2ccccc21 ZINC000008118926 344872122 /nfs/dbraw/zinc/87/21/22/344872122.db2.gz ZHGJBTCDWBHPHZ-UHFFFAOYSA-N 1 1 295.386 3.224 20 30 CGEDMO CC(C)[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000030148957 344921495 /nfs/dbraw/zinc/92/14/95/344921495.db2.gz GRDXMAJLONFUON-NSHDSACASA-N 1 1 293.798 3.126 20 30 CGEDMO C=CC[NH+]1CCN([C@@H](C)c2ccccc2Cl)CC1 ZINC000045006286 345018834 /nfs/dbraw/zinc/01/88/34/345018834.db2.gz RZINXUHNIBUYIK-ZDUSSCGKSA-N 1 1 264.800 3.205 20 30 CGEDMO C=CC[NH+]1CCN([C@H](C)c2ccccc2Cl)CC1 ZINC000045006288 345018917 /nfs/dbraw/zinc/01/89/17/345018917.db2.gz RZINXUHNIBUYIK-CYBMUJFWSA-N 1 1 264.800 3.205 20 30 CGEDMO C=CC[N@@H+](CCC(=O)N1CCCCC1)Cc1ccccc1 ZINC000046517026 345040654 /nfs/dbraw/zinc/04/06/54/345040654.db2.gz RLETYVAXEGHEOB-UHFFFAOYSA-N 1 1 286.419 3.077 20 30 CGEDMO C=C(C)C[NH+]1CCN(Cc2ccc(Cl)s2)CC1 ZINC000049967836 345076458 /nfs/dbraw/zinc/07/64/58/345076458.db2.gz WOPFXRZBMCFTFN-UHFFFAOYSA-N 1 1 270.829 3.095 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(OCC)c(OC)c1 ZINC000053132355 345115415 /nfs/dbraw/zinc/11/54/15/345115415.db2.gz BPNAJOPMUJDJNB-UHFFFAOYSA-N 1 1 263.381 3.492 20 30 CGEDMO C=CC[N@@H+](CCOC(C)C)Cc1ccccc1F ZINC000056312427 345162170 /nfs/dbraw/zinc/16/21/70/345162170.db2.gz DWZSTVVOJPWMGZ-UHFFFAOYSA-N 1 1 251.345 3.239 20 30 CGEDMO C=CC[N@H+](CCOC(C)C)Cc1ccccc1F ZINC000056312427 345162172 /nfs/dbraw/zinc/16/21/72/345162172.db2.gz DWZSTVVOJPWMGZ-UHFFFAOYSA-N 1 1 251.345 3.239 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000061781079 345234207 /nfs/dbraw/zinc/23/42/07/345234207.db2.gz BMDDBJUTHSQRRK-CQSZACIVSA-N 1 1 290.432 3.086 20 30 CGEDMO C=CC[N@H+](Cc1ccc(C(N)=O)cc1)CC1CCCCC1 ZINC000069860111 345386313 /nfs/dbraw/zinc/38/63/13/345386313.db2.gz LQCLJFNTCGLPDS-UHFFFAOYSA-N 1 1 286.419 3.354 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2ncccc2C#N)C1 ZINC000072945097 345424075 /nfs/dbraw/zinc/42/40/75/345424075.db2.gz SQFAMFIMNXJJHQ-CVEARBPZSA-N 1 1 298.434 3.044 20 30 CGEDMO COc1ccccc1[C@H]1CC[N@@H+](CCCSCC#N)C1 ZINC000074991278 345489953 /nfs/dbraw/zinc/48/99/53/345489953.db2.gz FDRKQQCGTGNTCY-AWEZNQCLSA-N 1 1 290.432 3.131 20 30 CGEDMO Cc1ccccc1OCCC[N@@H+](C)C[C@@H](C#N)CCC#N ZINC000076547992 345545848 /nfs/dbraw/zinc/54/58/48/345545848.db2.gz WJVQWMPIMKTSEW-MRXNPFEDSA-N 1 1 285.391 3.139 20 30 CGEDMO Cc1ccccc1OCCC[N@H+](C)C[C@@H](C#N)CCC#N ZINC000076547992 345545851 /nfs/dbraw/zinc/54/58/51/345545851.db2.gz WJVQWMPIMKTSEW-MRXNPFEDSA-N 1 1 285.391 3.139 20 30 CGEDMO N#CCCC[N@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000081535623 345712046 /nfs/dbraw/zinc/71/20/46/345712046.db2.gz MFMGWHZQDWITLZ-QGZVFWFLSA-N 1 1 272.392 3.052 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1C ZINC000084116722 345729696 /nfs/dbraw/zinc/72/96/96/345729696.db2.gz YTBTXQFNPXLVTF-OAHLLOKOSA-N 1 1 255.365 3.286 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCNc2ccc3cc(C#N)ccc3n2)C1 ZINC000092890867 345861361 /nfs/dbraw/zinc/86/13/61/345861361.db2.gz KRUIQBZYHMNXLQ-CQSZACIVSA-N 1 1 294.402 3.250 20 30 CGEDMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000093278721 345873255 /nfs/dbraw/zinc/87/32/55/345873255.db2.gz ZGXMISUHADFSJG-CQSZACIVSA-N 1 1 294.439 3.228 20 30 CGEDMO CCN(CC)CC[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000351643477 219161402 /nfs/dbraw/zinc/16/14/02/219161402.db2.gz DVOQRYLVJODGFK-UHFFFAOYSA-N 1 1 287.451 3.358 20 30 CGEDMO CCN(CC)CC[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000351643477 219161403 /nfs/dbraw/zinc/16/14/03/219161403.db2.gz DVOQRYLVJODGFK-UHFFFAOYSA-N 1 1 287.451 3.358 20 30 CGEDMO C=C(Br)C[N@@H+]1CCCc2ccccc2C1 ZINC000106937195 345933304 /nfs/dbraw/zinc/93/33/04/345933304.db2.gz HMSQPCWBSJRCTA-UHFFFAOYSA-N 1 1 266.182 3.343 20 30 CGEDMO C=C(Br)C[N@H+]1CCCc2ccccc2C1 ZINC000106937195 345933308 /nfs/dbraw/zinc/93/33/08/345933308.db2.gz HMSQPCWBSJRCTA-UHFFFAOYSA-N 1 1 266.182 3.343 20 30 CGEDMO CC[N@@H+]1CC=C(c2c[nH]c3cc(C#N)ccc23)CC1 ZINC000138950004 346098190 /nfs/dbraw/zinc/09/81/90/346098190.db2.gz IGTFAZMYCOUHQO-UHFFFAOYSA-N 1 1 251.333 3.149 20 30 CGEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1ccccc1F ZINC000150880468 346134665 /nfs/dbraw/zinc/13/46/65/346134665.db2.gz FUUXTLSYYAOSIP-UHFFFAOYSA-N 1 1 278.371 3.442 20 30 CGEDMO CCOC(=O)CC[C@@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000161947667 346177240 /nfs/dbraw/zinc/17/72/40/346177240.db2.gz FJVJBDSPPKBMIP-HNNXBMFYSA-N 1 1 294.439 3.372 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000172178830 346216824 /nfs/dbraw/zinc/21/68/24/346216824.db2.gz OHKMSXSNMGUTAD-CQSZACIVSA-N 1 1 282.428 3.141 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)[C@H]1CCCN(C(C)C)C1=O ZINC000192526326 346268129 /nfs/dbraw/zinc/26/81/29/346268129.db2.gz GEKYVWRWARXJBQ-HNNXBMFYSA-N 1 1 292.448 3.136 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)[C@H]1CCCN(C(C)C)C1=O ZINC000192526326 346268130 /nfs/dbraw/zinc/26/81/30/346268130.db2.gz GEKYVWRWARXJBQ-HNNXBMFYSA-N 1 1 292.448 3.136 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCc2ccccc2[C@H]1CC ZINC000261488811 346403209 /nfs/dbraw/zinc/40/32/09/346403209.db2.gz XEILUTXDCMSKIG-GOSISDBHSA-N 1 1 298.430 3.196 20 30 CGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2cccc(C#N)n2)C1 ZINC000339217870 215019941 /nfs/dbraw/zinc/01/99/41/215019941.db2.gz LNPPMNFMYPODAS-RHSMWYFYSA-N 1 1 292.386 3.201 20 30 CGEDMO CC1(C)[C@@H]2C[N@H+](Cc3ccc(C#N)cc3Cl)C[C@@H]21 ZINC000380380773 346557039 /nfs/dbraw/zinc/55/70/39/346557039.db2.gz OPTXVWGRFWGOCV-BETUJISGSA-N 1 1 260.768 3.299 20 30 CGEDMO CC[N@H+](CCCN[C@H]1CC[C@@H](C#N)C1)C1CCCCC1 ZINC000593661270 347102171 /nfs/dbraw/zinc/10/21/71/347102171.db2.gz VXLZHNGMSLSZNJ-CVEARBPZSA-N 1 1 277.456 3.313 20 30 CGEDMO CC[N@@H+](CCCN[C@H]1CC[C@@H](C#N)C1)C1CCCCC1 ZINC000593661270 347102175 /nfs/dbraw/zinc/10/21/75/347102175.db2.gz VXLZHNGMSLSZNJ-CVEARBPZSA-N 1 1 277.456 3.313 20 30 CGEDMO CC[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)[C@@H](C)CO1 ZINC000404015609 346598947 /nfs/dbraw/zinc/59/89/47/346598947.db2.gz WKUKSOQALNSBOI-UONOGXRCSA-N 1 1 252.402 3.206 20 30 CGEDMO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1CCCC#N ZINC000404440402 346599283 /nfs/dbraw/zinc/59/92/83/346599283.db2.gz UHFXKKCNWAFPOJ-GVDBMIGSSA-N 1 1 285.435 3.273 20 30 CGEDMO C[C@@H]1[C@@H](C)[N@@H+](CCCC#N)C[C@H](C)N1Cc1ccccc1 ZINC000404440402 346599286 /nfs/dbraw/zinc/59/92/86/346599286.db2.gz UHFXKKCNWAFPOJ-GVDBMIGSSA-N 1 1 285.435 3.273 20 30 CGEDMO C[C@@H]1[C@@H](C)[N@H+](CCCC#N)C[C@H](C)N1Cc1ccccc1 ZINC000404440402 346599289 /nfs/dbraw/zinc/59/92/89/346599289.db2.gz UHFXKKCNWAFPOJ-GVDBMIGSSA-N 1 1 285.435 3.273 20 30 CGEDMO N#CC1(CC[N@H+]2CC[C@@]3(C2)CCCOC3)CCCCC1 ZINC000411762045 346607201 /nfs/dbraw/zinc/60/72/01/346607201.db2.gz BARHYRSEAGJADL-QGZVFWFLSA-N 1 1 276.424 3.353 20 30 CGEDMO Cc1cc([C@@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)no1 ZINC000585726627 346727915 /nfs/dbraw/zinc/72/79/15/346727915.db2.gz UJPNEVZQKVNQSE-ABAIWWIYSA-N 1 1 267.332 3.193 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)CCCCCC#N ZINC000588295266 346758907 /nfs/dbraw/zinc/75/89/07/346758907.db2.gz ALHIJSJDUGRODD-INIZCTEOSA-N 1 1 293.455 3.231 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000589300236 346792748 /nfs/dbraw/zinc/79/27/48/346792748.db2.gz ILGUGSGZWLKPHN-ZWKOTPCHSA-N 1 1 296.414 3.400 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](OC3CCC3)C2)c(F)c1 ZINC000594027389 347139634 /nfs/dbraw/zinc/13/96/34/347139634.db2.gz TZITUYACNNBNFD-INIZCTEOSA-N 1 1 288.366 3.231 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](OC3CCC3)C2)c(F)c1 ZINC000594027389 347139635 /nfs/dbraw/zinc/13/96/35/347139635.db2.gz TZITUYACNNBNFD-INIZCTEOSA-N 1 1 288.366 3.231 20 30 CGEDMO COc1cccc(OC)c1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000594708662 347212150 /nfs/dbraw/zinc/21/21/50/347212150.db2.gz BCHCEZMIPMSRJD-CYBMUJFWSA-N 1 1 296.370 3.426 20 30 CGEDMO C[C@@H]1CCCC[N@@H+]1CCNCc1ccc(C(C)(C)C#N)cc1 ZINC000594496077 347178365 /nfs/dbraw/zinc/17/83/65/347178365.db2.gz ZEICZJQMMPHDCU-MRXNPFEDSA-N 1 1 299.462 3.452 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCNCc1ccc(C(C)(C)C#N)cc1 ZINC000594496077 347178369 /nfs/dbraw/zinc/17/83/69/347178369.db2.gz ZEICZJQMMPHDCU-MRXNPFEDSA-N 1 1 299.462 3.452 20 30 CGEDMO C=CCCSCC[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC000594960896 347242516 /nfs/dbraw/zinc/24/25/16/347242516.db2.gz ZVGOOQZBTMDYCB-UHFFFAOYSA-N 1 1 287.432 3.476 20 30 CGEDMO Cc1cc(CN[C@@H]2CC[N@H+](C3CCCCC3)C2)ccc1C#N ZINC000594978996 347247803 /nfs/dbraw/zinc/24/78/03/347247803.db2.gz ZOQNLDQJZJYJQW-GOSISDBHSA-N 1 1 297.446 3.363 20 30 CGEDMO Cc1cc(C[NH2+][C@@H]2CCN(C3CCCCC3)C2)ccc1C#N ZINC000594978996 347247805 /nfs/dbraw/zinc/24/78/05/347247805.db2.gz ZOQNLDQJZJYJQW-GOSISDBHSA-N 1 1 297.446 3.363 20 30 CGEDMO CCc1ncc(C[NH2+]CC2(C#N)CCCCC2)s1 ZINC000594981430 347248444 /nfs/dbraw/zinc/24/84/44/347248444.db2.gz PLSOQGTURMEMLQ-UHFFFAOYSA-N 1 1 263.410 3.269 20 30 CGEDMO C[N@H+](Cc1cc(C2CC2)no1)Cc1cccc(C#N)c1 ZINC000595291057 347287470 /nfs/dbraw/zinc/28/74/70/347287470.db2.gz XBVPZDWKNHCYBT-UHFFFAOYSA-N 1 1 267.332 3.056 20 30 CGEDMO C[N@@H+](Cc1cc(C2CC2)no1)Cc1cccc(C#N)c1 ZINC000595291057 347287474 /nfs/dbraw/zinc/28/74/74/347287474.db2.gz XBVPZDWKNHCYBT-UHFFFAOYSA-N 1 1 267.332 3.056 20 30 CGEDMO CC(C)[N@@H+](CCO[C@@H]1CC1(F)F)Cc1ccc(C#N)cc1 ZINC000595297020 347288099 /nfs/dbraw/zinc/28/80/99/347288099.db2.gz OWPDKGIDDHUFHG-OAHLLOKOSA-N 1 1 294.345 3.193 20 30 CGEDMO COCC[N@@H+](CCC=C(C)C)Cc1ccc(C#N)cc1 ZINC000595296318 347288553 /nfs/dbraw/zinc/28/85/53/347288553.db2.gz AFYUURXDZXRTPD-UHFFFAOYSA-N 1 1 272.392 3.363 20 30 CGEDMO CC[N@H+](CCSc1cccc(OC)c1)C[C@H](C)C#N ZINC000595299045 347289338 /nfs/dbraw/zinc/28/93/38/347289338.db2.gz VSHBKNZVCDVLJH-CYBMUJFWSA-N 1 1 278.421 3.269 20 30 CGEDMO CC[N@@H+](CCSc1cccc(OC)c1)C[C@H](C)C#N ZINC000595299045 347289341 /nfs/dbraw/zinc/28/93/41/347289341.db2.gz VSHBKNZVCDVLJH-CYBMUJFWSA-N 1 1 278.421 3.269 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CC[C@@H](Cc3ccncc3)C2)cc1 ZINC000595426623 347301668 /nfs/dbraw/zinc/30/16/68/347301668.db2.gz QQZDTHZEUUMZOC-IBGZPJMESA-N 1 1 291.398 3.060 20 30 CGEDMO Cc1ncc([C@@H](C)[NH2+]CC2(C#N)CCCCC2)c(C)n1 ZINC000595091065 347280506 /nfs/dbraw/zinc/28/05/06/347280506.db2.gz MWEPEXQVHWDBOB-GFCCVEGCSA-N 1 1 272.396 3.218 20 30 CGEDMO CCN(C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC000595609381 347325715 /nfs/dbraw/zinc/32/57/15/347325715.db2.gz JHCUBUBEMARWNE-CVEARBPZSA-N 1 1 299.418 3.054 20 30 CGEDMO CCN(C(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC000595609381 347325717 /nfs/dbraw/zinc/32/57/17/347325717.db2.gz JHCUBUBEMARWNE-CVEARBPZSA-N 1 1 299.418 3.054 20 30 CGEDMO COC(=O)c1oc([C@@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)cc1C ZINC000595620315 347328746 /nfs/dbraw/zinc/32/87/46/347328746.db2.gz LRBNGENVUHKBKG-OLZOCXBDSA-N 1 1 290.363 3.061 20 30 CGEDMO COC(=O)c1oc([C@@H](C)[N@H+]2CCC[C@@H](CC#N)C2)cc1C ZINC000595620315 347328748 /nfs/dbraw/zinc/32/87/48/347328748.db2.gz LRBNGENVUHKBKG-OLZOCXBDSA-N 1 1 290.363 3.061 20 30 CGEDMO CCCc1nc(C)c(C[N@H+]2CCC[C@H](CC#N)C2)o1 ZINC000595623920 347329151 /nfs/dbraw/zinc/32/91/51/347329151.db2.gz YMEREFRUQBCMID-CYBMUJFWSA-N 1 1 261.369 3.061 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000595622675 347329379 /nfs/dbraw/zinc/32/93/79/347329379.db2.gz CMCINGSEJWNDHM-OAHLLOKOSA-N 1 1 259.397 3.476 20 30 CGEDMO C=CC[N@H+](CCCCC(C)(C)C#N)[C@@H](C)COC ZINC000595638304 347330833 /nfs/dbraw/zinc/33/08/33/347330833.db2.gz FXJKQPXZTRGPFD-AWEZNQCLSA-N 1 1 252.402 3.229 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000595657763 347334307 /nfs/dbraw/zinc/33/43/07/347334307.db2.gz BWOITDQPUSNUSA-ZDUSSCGKSA-N 1 1 258.340 3.485 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc(C(=O)OCC)o2)C1 ZINC000595658418 347334590 /nfs/dbraw/zinc/33/45/90/347334590.db2.gz IQLGQKLWNUNCRO-CYBMUJFWSA-N 1 1 277.364 3.244 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CC[C@@H](C3CCCCC3)C2)n1 ZINC000595742268 347348396 /nfs/dbraw/zinc/34/83/96/347348396.db2.gz YHNLKOGMTDFFEL-CYBMUJFWSA-N 1 1 275.421 3.417 20 30 CGEDMO N#Cc1csc(C[N@H+]2CC[C@@H](C3CCCCC3)C2)n1 ZINC000595742268 347348398 /nfs/dbraw/zinc/34/83/98/347348398.db2.gz YHNLKOGMTDFFEL-CYBMUJFWSA-N 1 1 275.421 3.417 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](C3CCCCC3)C2)nc1 ZINC000595739742 347348766 /nfs/dbraw/zinc/34/87/66/347348766.db2.gz QHZVQFFXSWCPES-MRXNPFEDSA-N 1 1 269.392 3.355 20 30 CGEDMO N#CCC[C@H](C#N)C[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000595733873 347348842 /nfs/dbraw/zinc/34/88/42/347348842.db2.gz KGBWOYZLNSXHDF-ZBFHGGJFSA-N 1 1 259.397 3.332 20 30 CGEDMO N#Cc1cccc(OCCC[N@@H+]2CCC[C@@H](CCF)C2)c1 ZINC000595755577 347351310 /nfs/dbraw/zinc/35/13/10/347351310.db2.gz OGAVEKGIIHDXNG-HNNXBMFYSA-N 1 1 290.382 3.399 20 30 CGEDMO N#Cc1ccc(CC[N@@H+]2CCC[C@H](CCF)C2)cc1 ZINC000595764096 347352643 /nfs/dbraw/zinc/35/26/43/347352643.db2.gz VDGIOKCMORYAID-MRXNPFEDSA-N 1 1 260.356 3.172 20 30 CGEDMO COc1cccc([C@]2(C)CC[N@H+](C[C@@H](C#N)CCC#N)C2)c1 ZINC000595771006 347353305 /nfs/dbraw/zinc/35/33/05/347353305.db2.gz YSHAFLLGPXNPMK-CRAIPNDOSA-N 1 1 297.402 3.102 20 30 CGEDMO COc1cccc([C@]2(C)CC[N@@H+](C[C@@H](C#N)CCC#N)C2)c1 ZINC000595771006 347353308 /nfs/dbraw/zinc/35/33/08/347353308.db2.gz YSHAFLLGPXNPMK-CRAIPNDOSA-N 1 1 297.402 3.102 20 30 CGEDMO N#Cc1ccc(CC[N@@H+]2CC[C@H](CC(F)(F)F)C2)cc1 ZINC000595466998 347307865 /nfs/dbraw/zinc/30/78/65/347307865.db2.gz VFDLCDMFEODDTC-CQSZACIVSA-N 1 1 282.309 3.375 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3C[C@H]3C2)c(C(F)(F)F)c1 ZINC000595810760 347357309 /nfs/dbraw/zinc/35/73/09/347357309.db2.gz NPVVRQJZBZXDKL-AAEUAGOBSA-N 1 1 280.293 3.419 20 30 CGEDMO N#Cc1ccc(CC[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000595525348 347316064 /nfs/dbraw/zinc/31/60/64/347316064.db2.gz RFVKIKMHZJMJPE-CALCHBBNSA-N 1 1 254.377 3.223 20 30 CGEDMO COc1cc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)sn1 ZINC000595550401 347318469 /nfs/dbraw/zinc/31/84/69/347318469.db2.gz PZIRAKIPNVHCPF-LLVKDONJSA-N 1 1 287.388 3.216 20 30 CGEDMO COc1cc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)sn1 ZINC000595550401 347318471 /nfs/dbraw/zinc/31/84/71/347318471.db2.gz PZIRAKIPNVHCPF-LLVKDONJSA-N 1 1 287.388 3.216 20 30 CGEDMO C[C@H]1C[N@@H+](CCc2ccc(C#N)cc2)CC2(CCCC2)O1 ZINC000595567196 347320510 /nfs/dbraw/zinc/32/05/10/347320510.db2.gz KHEXJCZTKQIVOE-HNNXBMFYSA-N 1 1 284.403 3.134 20 30 CGEDMO N#CC[C@@H]1CC[C@H](Nc2[nH+]ccc3c(N)cccc32)C1 ZINC000596249575 347404223 /nfs/dbraw/zinc/40/42/23/347404223.db2.gz JQLMFEHNOVXHER-RYUDHWBXSA-N 1 1 266.348 3.311 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1(C#N)CCOCC1 ZINC000595844970 347367144 /nfs/dbraw/zinc/36/71/44/347367144.db2.gz JOLASPCVEZQHDU-IYBDPMFKSA-N 1 1 274.408 3.270 20 30 CGEDMO CCCCC[C@H]1CCCC[N@H+]1CCC(=O)N(C)CCC#N ZINC000595870888 347368947 /nfs/dbraw/zinc/36/89/47/347368947.db2.gz LKAUBKPJHSWKKE-INIZCTEOSA-N 1 1 293.455 3.183 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC3CC2(c2ccccc2)C3)nc1 ZINC000595906819 347371034 /nfs/dbraw/zinc/37/10/34/347371034.db2.gz AKJGGWRIWGCAHR-UHFFFAOYSA-N 1 1 275.355 3.074 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC000595913385 347372671 /nfs/dbraw/zinc/37/26/71/347372671.db2.gz SZWDRYSKMVXPOB-GFCCVEGCSA-N 1 1 294.420 3.075 20 30 CGEDMO Cc1cc(CNC[C@H]2CCC[N@H+](CC3CC3)C2)ccc1C#N ZINC000596058891 347378267 /nfs/dbraw/zinc/37/82/67/347378267.db2.gz LFIBSNDNNQDEDF-GOSISDBHSA-N 1 1 297.446 3.078 20 30 CGEDMO Cc1cc(CNC[C@H]2CCC[N@@H+](CC3CC3)C2)ccc1C#N ZINC000596058891 347378268 /nfs/dbraw/zinc/37/82/68/347378268.db2.gz LFIBSNDNNQDEDF-GOSISDBHSA-N 1 1 297.446 3.078 20 30 CGEDMO Cc1ccc(-c2ccc(C[NH+]3CCOCC3)cc2)cc1C#N ZINC000596637571 347494971 /nfs/dbraw/zinc/49/49/71/347494971.db2.gz VDOFLCCSSCLDMA-UHFFFAOYSA-N 1 1 292.382 3.366 20 30 CGEDMO Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](CC#N)C2)o1 ZINC000597174615 347544053 /nfs/dbraw/zinc/54/40/53/347544053.db2.gz SCWSRMIYNYHPGS-CYBMUJFWSA-N 1 1 284.363 3.104 20 30 CGEDMO C[C@H](Cc1ccccc1)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000597175672 347544400 /nfs/dbraw/zinc/54/44/00/347544400.db2.gz CUINGCXHNALVEP-WBVHZDCISA-N 1 1 256.393 3.491 20 30 CGEDMO Cn1nccc1-c1ccccc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000597178499 347545164 /nfs/dbraw/zinc/54/51/64/347545164.db2.gz YZEROACDBKTQOT-HNNXBMFYSA-N 1 1 294.402 3.213 20 30 CGEDMO Cc1ccccc1-n1nccc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000597176586 347545319 /nfs/dbraw/zinc/54/53/19/347545319.db2.gz IRSRTBHGHUIGLB-INIZCTEOSA-N 1 1 294.402 3.306 20 30 CGEDMO Cc1ccccc1-n1nccc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000597176586 347545321 /nfs/dbraw/zinc/54/53/21/347545321.db2.gz IRSRTBHGHUIGLB-INIZCTEOSA-N 1 1 294.402 3.306 20 30 CGEDMO COc1cc(C)ccc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000597176627 347545331 /nfs/dbraw/zinc/54/53/31/347545331.db2.gz IWYRCOANBXJUDM-CQSZACIVSA-N 1 1 258.365 3.129 20 30 CGEDMO CC(C)Cc1ncc(C[N@@H+]2CCC[C@@H](CC#N)C2)s1 ZINC000597178208 347545440 /nfs/dbraw/zinc/54/54/40/347545440.db2.gz WLHQMVMNUNDGEH-ZDUSSCGKSA-N 1 1 277.437 3.467 20 30 CGEDMO CC(C)Cc1ncc(C[N@H+]2CCC[C@@H](CC#N)C2)s1 ZINC000597178208 347545442 /nfs/dbraw/zinc/54/54/42/347545442.db2.gz WLHQMVMNUNDGEH-ZDUSSCGKSA-N 1 1 277.437 3.467 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2nccc3ccccc32)C1 ZINC000597173241 347543583 /nfs/dbraw/zinc/54/35/83/347543583.db2.gz HEVFLPBLPKVDFS-CQSZACIVSA-N 1 1 265.360 3.360 20 30 CGEDMO COc1ccc2c(c1)CC[N@H+](CC(C)(C)CCC#N)C2 ZINC000597212047 347554974 /nfs/dbraw/zinc/55/49/74/347554974.db2.gz RGIVZKKWVHVUFV-UHFFFAOYSA-N 1 1 272.392 3.383 20 30 CGEDMO COCc1ccccc1/C=C(\C)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000597233185 347559609 /nfs/dbraw/zinc/55/96/09/347559609.db2.gz ZVXYYEBRIWQWIH-KAPURRDVSA-N 1 1 284.403 3.472 20 30 CGEDMO COCc1ccccc1/C=C(\C)C[N@H+]1CC[C@@](C)(C#N)C1 ZINC000597233185 347559613 /nfs/dbraw/zinc/55/96/13/347559613.db2.gz ZVXYYEBRIWQWIH-KAPURRDVSA-N 1 1 284.403 3.472 20 30 CGEDMO CC(C)(CCC#N)C[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000597247799 347562418 /nfs/dbraw/zinc/56/24/18/347562418.db2.gz CWHNERFVLHORBU-CALCHBBNSA-N 1 1 276.424 3.209 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@@H+](CC1CCCCC1)C1CC1 ZINC000598586215 347667004 /nfs/dbraw/zinc/66/70/04/347667004.db2.gz QLSCXOVMFSIKRI-MRXNPFEDSA-N 1 1 278.440 3.332 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000598585260 347667071 /nfs/dbraw/zinc/66/70/71/347667071.db2.gz BCRGLAOKPMXHCH-HZPDHXFCSA-N 1 1 278.440 3.332 20 30 CGEDMO CC[C@H](C)[C@H]1CCCC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598591385 347667897 /nfs/dbraw/zinc/66/78/97/347667897.db2.gz ASAIIECICIAMQI-RRFJBIMHSA-N 1 1 266.429 3.188 20 30 CGEDMO CCC[C@@]1(C)CCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598594727 347668527 /nfs/dbraw/zinc/66/85/27/347668527.db2.gz ILGCTQGNKJWJGS-HOCLYGCPSA-N 1 1 266.429 3.189 20 30 CGEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCCC2(CC2)CC1 ZINC000599672456 347763072 /nfs/dbraw/zinc/76/30/72/347763072.db2.gz GDJQLIRZHRORKY-UHFFFAOYSA-N 1 1 297.402 3.153 20 30 CGEDMO CCC(O)(CC)C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000599673995 347763898 /nfs/dbraw/zinc/76/38/98/347763898.db2.gz XZEYCQKGGAUISY-CYBMUJFWSA-N 1 1 260.381 3.102 20 30 CGEDMO CC(C)(C)OCCC[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677949 347764982 /nfs/dbraw/zinc/76/49/82/347764982.db2.gz FDVWFNWLZKTZJB-UHFFFAOYSA-N 1 1 286.419 3.316 20 30 CGEDMO N#CCc1cccc2c1CC[N@H+](CCC(F)(F)F)C2 ZINC000599679023 347765456 /nfs/dbraw/zinc/76/54/56/347765456.db2.gz OAHGFSOLXFHXIN-UHFFFAOYSA-N 1 1 268.282 3.063 20 30 CGEDMO C/C=C/C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000599691180 347766613 /nfs/dbraw/zinc/76/66/13/347766613.db2.gz QXNLLTKTPLHESV-BAABZTOOSA-N 1 1 255.365 3.131 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCO[C@H](c3ccccc3)C2)cc1C#N ZINC000599268065 347729784 /nfs/dbraw/zinc/72/97/84/347729784.db2.gz XLNLYNJERBIHLV-IBGZPJMESA-N 1 1 292.382 3.440 20 30 CGEDMO Cc1ccc(C[N@H+]2CCO[C@H](c3ccccc3)C2)cc1C#N ZINC000599268065 347729788 /nfs/dbraw/zinc/72/97/88/347729788.db2.gz XLNLYNJERBIHLV-IBGZPJMESA-N 1 1 292.382 3.440 20 30 CGEDMO CCO[C@H](C[N@@H+](CCC#N)CC(C)(C)C)C1CC1 ZINC000599296591 347732590 /nfs/dbraw/zinc/73/25/90/347732590.db2.gz CJARDNBABXBRIS-CQSZACIVSA-N 1 1 252.402 3.063 20 30 CGEDMO CSC[C@@H]1CCC[N@H+]1Cc1ccc(C)c(C#N)c1 ZINC000599319627 347735217 /nfs/dbraw/zinc/73/52/17/347735217.db2.gz OTZHUEQEIDFJBE-HNNXBMFYSA-N 1 1 260.406 3.194 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCSCC[C@@H]2C)cc1C#N ZINC000599383955 347741349 /nfs/dbraw/zinc/74/13/49/347741349.db2.gz CSAWZBDPBBOGEU-ZDUSSCGKSA-N 1 1 260.406 3.194 20 30 CGEDMO CO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C)c(C#N)c2)C12CCC2 ZINC000599434850 347744342 /nfs/dbraw/zinc/74/43/42/347744342.db2.gz JWVUXHBPAJJQJK-IRXDYDNUSA-N 1 1 284.403 3.256 20 30 CGEDMO CC(C)(C)OC(=O)[C@]1(C)CCC[N@@H+]1CCC(C)(C)C#N ZINC000599494179 347748459 /nfs/dbraw/zinc/74/84/59/347748459.db2.gz FPGDPENUSAOXEB-INIZCTEOSA-N 1 1 280.412 3.122 20 30 CGEDMO CC(C)(C)OC(=O)[C@]1(C)CCC[N@H+]1CCC(C)(C)C#N ZINC000599494179 347748461 /nfs/dbraw/zinc/74/84/61/347748461.db2.gz FPGDPENUSAOXEB-INIZCTEOSA-N 1 1 280.412 3.122 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000599526137 347750598 /nfs/dbraw/zinc/75/05/98/347750598.db2.gz FUNBTMLEODVRFV-LBPRGKRZSA-N 1 1 276.336 3.001 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000599529348 347751387 /nfs/dbraw/zinc/75/13/87/347751387.db2.gz NAUBRTXYGNFLIS-SNVBAGLBSA-N 1 1 282.290 3.271 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000599529348 347751388 /nfs/dbraw/zinc/75/13/88/347751388.db2.gz NAUBRTXYGNFLIS-SNVBAGLBSA-N 1 1 282.290 3.271 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CC(C)(C)CCC1(C)C ZINC000599537626 347752398 /nfs/dbraw/zinc/75/23/98/347752398.db2.gz HIEXXJZHKDCJLY-CYBMUJFWSA-N 1 1 266.429 3.188 20 30 CGEDMO C[C@H]1CC(F)(F)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000599624149 347758789 /nfs/dbraw/zinc/75/87/89/347758789.db2.gz SOVCGOWDDLWTGJ-JTQLQIEISA-N 1 1 268.282 3.317 20 30 CGEDMO C[C@H]1CC(F)(F)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC000599624149 347758792 /nfs/dbraw/zinc/75/87/92/347758792.db2.gz SOVCGOWDDLWTGJ-JTQLQIEISA-N 1 1 268.282 3.317 20 30 CGEDMO CC1(C)[C@@H](c2ccc(F)cc2)CC[N@H+]1CCOCCC#N ZINC000599621078 347758813 /nfs/dbraw/zinc/75/88/13/347758813.db2.gz ARRIVULXHIQSDW-MRXNPFEDSA-N 1 1 290.382 3.324 20 30 CGEDMO COCc1ccc(C[N@@H+]2CCc3c(CC#N)cccc3C2)o1 ZINC000600213083 347793808 /nfs/dbraw/zinc/79/38/08/347793808.db2.gz PZUSHZNXUKORBD-UHFFFAOYSA-N 1 1 296.370 3.050 20 30 CGEDMO COCc1ccc(C[N@H+]2CCc3c(CC#N)cccc3C2)o1 ZINC000600213083 347793812 /nfs/dbraw/zinc/79/38/12/347793812.db2.gz PZUSHZNXUKORBD-UHFFFAOYSA-N 1 1 296.370 3.050 20 30 CGEDMO N#Cc1c(F)cccc1-c1cccc(C[NH+]2CCOCC2)c1 ZINC000600791576 347837315 /nfs/dbraw/zinc/83/73/15/347837315.db2.gz SFIHHCWCNHPZKZ-UHFFFAOYSA-N 1 1 296.345 3.197 20 30 CGEDMO N#CC[C@@H]1CC[C@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)C1 ZINC000601171871 347877549 /nfs/dbraw/zinc/87/75/49/347877549.db2.gz SDYZYHITIKGFFQ-RYUDHWBXSA-N 1 1 296.330 3.059 20 30 CGEDMO Cc1ccc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)o1 ZINC000601305449 347890529 /nfs/dbraw/zinc/89/05/29/347890529.db2.gz YEZMGSAVXOQTJV-LLVKDONJSA-N 1 1 258.296 3.450 20 30 CGEDMO CC(C)[C@H]1[N@@H+](C[C@@H](O)CC2(C#N)CC2)CC12CCCCC2 ZINC000601958964 347929424 /nfs/dbraw/zinc/92/94/24/347929424.db2.gz KESKRCUDHRMNLP-JKSUJKDBSA-N 1 1 290.451 3.332 20 30 CGEDMO COc1cccc2c1CC[C@H]2[NH2+]Cc1cccc(F)c1C#N ZINC000602009795 347932641 /nfs/dbraw/zinc/93/26/41/347932641.db2.gz AYTGGXSAIXNMQK-QGZVFWFLSA-N 1 1 296.345 3.483 20 30 CGEDMO N#Cc1c(F)cccc1CNCCCCC[NH+]1CCCC1 ZINC000602025930 347934866 /nfs/dbraw/zinc/93/48/66/347934866.db2.gz RQKOJLZJPUZZTJ-UHFFFAOYSA-N 1 1 289.398 3.053 20 30 CGEDMO CC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](C)CCC#N ZINC000602430559 347956532 /nfs/dbraw/zinc/95/65/32/347956532.db2.gz CDNUDTMIOUGXLC-AWEZNQCLSA-N 1 1 290.407 3.466 20 30 CGEDMO COc1ccc(C[N@@H+](C)C[C@@H](C)CCC#N)cc1OC ZINC000602431097 347957117 /nfs/dbraw/zinc/95/71/17/347957117.db2.gz BRARJQBRDVEVLR-ZDUSSCGKSA-N 1 1 276.380 3.075 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000602447753 347959881 /nfs/dbraw/zinc/95/98/81/347959881.db2.gz FXIVGTZKBMFLTR-WMLDXEAASA-N 1 1 272.392 3.172 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)n1 ZINC000602452180 347960171 /nfs/dbraw/zinc/96/01/71/347960171.db2.gz IMJVCAAWSGIBRR-GOSISDBHSA-N 1 1 295.361 3.299 20 30 CGEDMO CC[N@@H+](Cc1cccc(C#N)n1)[C@@H](C)c1cccc(O)c1 ZINC000602447182 347960335 /nfs/dbraw/zinc/96/03/35/347960335.db2.gz LNGAHVGIRPDQHM-ZDUSSCGKSA-N 1 1 281.359 3.242 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCO[C@H](c2cccs2)C1 ZINC000602450848 347960361 /nfs/dbraw/zinc/96/03/61/347960361.db2.gz KVWOKFJOAISEND-OLZOCXBDSA-N 1 1 264.394 3.061 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)Cc1cccn(C(F)F)c1=O ZINC000602464119 347962337 /nfs/dbraw/zinc/96/23/37/347962337.db2.gz BVXYJFFDBWDBME-UHFFFAOYSA-N 1 1 297.349 3.005 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)Cc1cccn(C(F)F)c1=O ZINC000602464119 347962339 /nfs/dbraw/zinc/96/23/39/347962339.db2.gz BVXYJFFDBWDBME-UHFFFAOYSA-N 1 1 297.349 3.005 20 30 CGEDMO CCc1ccc([C@@H]2COCC[N@@H+]2C[C@H](C)CCC#N)o1 ZINC000602471288 347963706 /nfs/dbraw/zinc/96/37/06/347963706.db2.gz BFNFUSWNNCURFC-HIFRSBDPSA-N 1 1 276.380 3.155 20 30 CGEDMO CCc1ccc([C@@H]2COCC[N@H+]2C[C@H](C)CCC#N)o1 ZINC000602471288 347963707 /nfs/dbraw/zinc/96/37/07/347963707.db2.gz BFNFUSWNNCURFC-HIFRSBDPSA-N 1 1 276.380 3.155 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000602470996 347963781 /nfs/dbraw/zinc/96/37/81/347963781.db2.gz AUVDKJPNUVOLNZ-NVXWUHKLSA-N 1 1 299.418 3.054 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](CCCO)Cc1cccc(Cl)c1 ZINC000602481700 347966418 /nfs/dbraw/zinc/96/64/18/347966418.db2.gz AFHDPBLVEWPINA-AWEZNQCLSA-N 1 1 294.826 3.464 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000602620113 347995229 /nfs/dbraw/zinc/99/52/29/347995229.db2.gz UTMKEVVRRHTVJJ-PBHICJAKSA-N 1 1 270.376 3.058 20 30 CGEDMO C[C@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602619542 347995255 /nfs/dbraw/zinc/99/52/55/347995255.db2.gz HYBXKOWXAAEVCY-GXFFZTMASA-N 1 1 283.297 3.116 20 30 CGEDMO C[C@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602619542 347995257 /nfs/dbraw/zinc/99/52/57/347995257.db2.gz HYBXKOWXAAEVCY-GXFFZTMASA-N 1 1 283.297 3.116 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000602639072 347998526 /nfs/dbraw/zinc/99/85/26/347998526.db2.gz ZHCULPLYMCHFEA-UONOGXRCSA-N 1 1 291.370 3.004 20 30 CGEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1C[C@H](C)CCC#N ZINC000602663667 348003561 /nfs/dbraw/zinc/00/35/61/348003561.db2.gz DNFLFGXROAEURV-RISCZKNCSA-N 1 1 260.385 3.103 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](Cc1ccco1)C1CCN(C)CC1 ZINC000602663444 348003567 /nfs/dbraw/zinc/00/35/67/348003567.db2.gz AKUWGIUYWFIBEI-HNNXBMFYSA-N 1 1 289.423 3.116 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000602691187 348009716 /nfs/dbraw/zinc/00/97/16/348009716.db2.gz DPBHHHSINHXBHF-APHBMKBZSA-N 1 1 292.810 3.388 20 30 CGEDMO CC(C)C1(c2ccccc2)C[NH+](Cc2cccc(C#N)n2)C1 ZINC000602691540 348009786 /nfs/dbraw/zinc/00/97/86/348009786.db2.gz DJTBITBVUKSGGF-UHFFFAOYSA-N 1 1 291.398 3.363 20 30 CGEDMO Cc1ccccc1[C@H]1C[N@H+](CC2(CC#N)CC2)[C@H](C)CO1 ZINC000602786710 348029095 /nfs/dbraw/zinc/02/90/95/348029095.db2.gz XCTUJEFEOFYXHL-NVXWUHKLSA-N 1 1 284.403 3.451 20 30 CGEDMO Cc1ccccc1[C@H]1C[N@@H+](CC2(CC#N)CC2)[C@H](C)CO1 ZINC000602786710 348029097 /nfs/dbraw/zinc/02/90/97/348029097.db2.gz XCTUJEFEOFYXHL-NVXWUHKLSA-N 1 1 284.403 3.451 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)n1 ZINC000602696120 348011484 /nfs/dbraw/zinc/01/14/84/348011484.db2.gz DLTXPUNKSPLLMR-NSHDSACASA-N 1 1 283.297 3.118 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)n1 ZINC000602696120 348011486 /nfs/dbraw/zinc/01/14/86/348011486.db2.gz DLTXPUNKSPLLMR-NSHDSACASA-N 1 1 283.297 3.118 20 30 CGEDMO Cc1ncccc1OC[C@H]1CCC[N@@H+]1C[C@H](C)CCC#N ZINC000602700276 348012791 /nfs/dbraw/zinc/01/27/91/348012791.db2.gz UUZJLQOLVJIUJC-GDBMZVCRSA-N 1 1 287.407 3.173 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cccc(C#N)n2)CCc2ccccc21 ZINC000602711310 348015961 /nfs/dbraw/zinc/01/59/61/348015961.db2.gz JCNLIELTVYDIDV-AWEZNQCLSA-N 1 1 277.371 3.115 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000602722824 348017930 /nfs/dbraw/zinc/01/79/30/348017930.db2.gz IAJDNDKVJHJGRF-QLFBSQMISA-N 1 1 294.439 3.226 20 30 CGEDMO CSC1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000602725732 348018503 /nfs/dbraw/zinc/01/85/03/348018503.db2.gz JEVGNJNSPAWRQL-UHFFFAOYSA-N 1 1 264.369 3.025 20 30 CGEDMO CCn1nc(C)c(C[N@H+](C)Cc2cc(C#N)cs2)c1C ZINC000602728403 348019166 /nfs/dbraw/zinc/01/91/66/348019166.db2.gz LIZAURFFFMTSCP-UHFFFAOYSA-N 1 1 288.420 3.085 20 30 CGEDMO CCn1nc(C)c(C[N@@H+](C)Cc2cc(C#N)cs2)c1C ZINC000602728403 348019169 /nfs/dbraw/zinc/01/91/69/348019169.db2.gz LIZAURFFFMTSCP-UHFFFAOYSA-N 1 1 288.420 3.085 20 30 CGEDMO C[C@H]1C[N@H+](CC2(CC#N)CC2)C[C@H](c2ccccc2)O1 ZINC000602761895 348024724 /nfs/dbraw/zinc/02/47/24/348024724.db2.gz BSLRPBMKTBPWHV-GOEBONIOSA-N 1 1 270.376 3.142 20 30 CGEDMO C[C@H]1C[N@@H+](CC2(CC#N)CC2)C[C@H](c2ccccc2)O1 ZINC000602761895 348024725 /nfs/dbraw/zinc/02/47/25/348024725.db2.gz BSLRPBMKTBPWHV-GOEBONIOSA-N 1 1 270.376 3.142 20 30 CGEDMO N#CCC1(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC000602771878 348026258 /nfs/dbraw/zinc/02/62/58/348026258.db2.gz HTTHHLCDUQJATE-CQSZACIVSA-N 1 1 258.340 3.309 20 30 CGEDMO C[C@H]1c2c(F)cccc2CC[N@H+]1CC1(CC#N)CC1 ZINC000602776674 348027171 /nfs/dbraw/zinc/02/71/71/348027171.db2.gz CSPMTMRJTXOGCT-LBPRGKRZSA-N 1 1 258.340 3.439 20 30 CGEDMO C[C@H]1c2c(F)cccc2CC[N@@H+]1CC1(CC#N)CC1 ZINC000602776674 348027172 /nfs/dbraw/zinc/02/71/72/348027172.db2.gz CSPMTMRJTXOGCT-LBPRGKRZSA-N 1 1 258.340 3.439 20 30 CGEDMO COCc1ccc([C@H]2CCC[N@H+]2CC2(CC#N)CC2)o1 ZINC000602813183 348032964 /nfs/dbraw/zinc/03/29/64/348032964.db2.gz SZDAUDIDSJBIDI-CQSZACIVSA-N 1 1 274.364 3.257 20 30 CGEDMO C[C@@H]1C[N@H+](C[C@@H]2CCCCC2(C)C)C[C@H](C)N1CC#N ZINC000602849737 348036494 /nfs/dbraw/zinc/03/64/94/348036494.db2.gz NDYFPHAVTJXGHU-XHSDSOJGSA-N 1 1 277.456 3.121 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCC[C@@H](c3cccnc3)C2)cc1 ZINC000602857727 348037076 /nfs/dbraw/zinc/03/70/76/348037076.db2.gz YMSCQINUJURZJT-LJQANCHMSA-N 1 1 291.398 3.375 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3cccnc3)C2)cc1F ZINC000602857646 348037683 /nfs/dbraw/zinc/03/76/83/348037683.db2.gz WYBXSYWXZPRRBL-KRWDZBQOSA-N 1 1 295.361 3.472 20 30 CGEDMO C[N@@H+](CCCOc1ccc(F)cc1)[C@H]1CCC[C@H]1C#N ZINC000602975740 348048561 /nfs/dbraw/zinc/04/85/61/348048561.db2.gz GPVGEYPDVGMVMA-BBRMVZONSA-N 1 1 276.355 3.219 20 30 CGEDMO COc1cc(C[N@H+](C)[C@H]2CCC[C@H]2C#N)ccc1Cl ZINC000602982198 348051586 /nfs/dbraw/zinc/05/15/86/348051586.db2.gz OXCBLURCYLLCAK-JSGCOSHPSA-N 1 1 278.783 3.473 20 30 CGEDMO COc1cc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)ccc1Cl ZINC000602982198 348051589 /nfs/dbraw/zinc/05/15/89/348051589.db2.gz OXCBLURCYLLCAK-JSGCOSHPSA-N 1 1 278.783 3.473 20 30 CGEDMO CC#CC[N@@H+](CC)CCOc1ccc(Br)cc1 ZINC000607751842 348261023 /nfs/dbraw/zinc/26/10/23/348261023.db2.gz LBNGAWLDHZSFLC-UHFFFAOYSA-N 1 1 296.208 3.173 20 30 CGEDMO N#CCSCCC[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000610504979 348386015 /nfs/dbraw/zinc/38/60/15/348386015.db2.gz PMELRWSKFNWBQO-AWEZNQCLSA-N 1 1 264.369 3.219 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000610957479 348411941 /nfs/dbraw/zinc/41/19/41/348411941.db2.gz NHCOEHFYBZTWPT-CQSZACIVSA-N 1 1 282.343 3.149 20 30 CGEDMO Cc1ccccc1C[N@@H+](Cc1ccnc(C#N)c1)C1CC1 ZINC000610991407 348414214 /nfs/dbraw/zinc/41/42/14/348414214.db2.gz JIONRHZKHFUTTG-UHFFFAOYSA-N 1 1 277.371 3.426 20 30 CGEDMO C[N@@H+](CCc1ccc(Cl)cc1)Cc1ccnc(C#N)c1 ZINC000610993247 348415554 /nfs/dbraw/zinc/41/55/54/348415554.db2.gz JUZVHGCTJDERFV-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610994685 348416008 /nfs/dbraw/zinc/41/60/08/348416008.db2.gz MXYRGNGNXLRMMC-KSSFIOAISA-N 1 1 277.371 3.331 20 30 CGEDMO C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610993710 348416132 /nfs/dbraw/zinc/41/61/32/348416132.db2.gz DCYRHAIXATZSDE-MAUKXSAKSA-N 1 1 291.398 3.406 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCc3ccc(O)cc3CC2)ccc1F ZINC000610719372 348398728 /nfs/dbraw/zinc/39/87/28/348398728.db2.gz WTQRTZUWKRCNHI-UHFFFAOYSA-N 1 1 296.345 3.004 20 30 CGEDMO C[N@@H+](C[C@H]1CCCO[C@H]1c1ccccc1)CC1(C#N)CC1 ZINC000611429402 348451557 /nfs/dbraw/zinc/45/15/57/348451557.db2.gz LXCJWYFSMHLTKX-SJORKVTESA-N 1 1 284.403 3.390 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000611462615 348453746 /nfs/dbraw/zinc/45/37/46/348453746.db2.gz XPUVALVGVUFZDR-MRXNPFEDSA-N 1 1 272.392 3.390 20 30 CGEDMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1ccnc(C#N)c1 ZINC000611554378 348460520 /nfs/dbraw/zinc/46/05/20/348460520.db2.gz MXCIRWNOOCDCCO-ZYHUDNBSSA-N 1 1 283.297 3.116 20 30 CGEDMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1ccnc(C#N)c1 ZINC000611554378 348460523 /nfs/dbraw/zinc/46/05/23/348460523.db2.gz MXCIRWNOOCDCCO-ZYHUDNBSSA-N 1 1 283.297 3.116 20 30 CGEDMO CC[C@@H](C)Oc1cc(C[NH2+]C[C@H](C)C#N)ccc1OC ZINC000612586542 348531236 /nfs/dbraw/zinc/53/12/36/348531236.db2.gz BVBBRGJFUCMIIX-CHWSQXEVSA-N 1 1 276.380 3.122 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000612588292 348531680 /nfs/dbraw/zinc/53/16/80/348531680.db2.gz ZNAPMLAONRWHRB-UHFFFAOYSA-N 1 1 272.270 3.066 20 30 CGEDMO C[C@H](O)C[C@H]1CCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614177400 348655189 /nfs/dbraw/zinc/65/51/89/348655189.db2.gz MHGBBWUHZPXSLX-WMLDXEAASA-N 1 1 286.419 3.223 20 30 CGEDMO C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C[C@H]1CCC[C@@H]1O ZINC000614177456 348655449 /nfs/dbraw/zinc/65/54/49/348655449.db2.gz NPTCMEJRUYQSMF-WBVHZDCISA-N 1 1 286.419 3.081 20 30 CGEDMO CC(C)C[C@H](CO)[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614211668 348657978 /nfs/dbraw/zinc/65/79/78/348657978.db2.gz DOYMJPBQUVYHNR-QGZVFWFLSA-N 1 1 288.435 3.327 20 30 CGEDMO CC(C)(C)C[N@@H+](CCO)Cc1ccc(C#N)cc1Cl ZINC000615224697 348725300 /nfs/dbraw/zinc/72/53/00/348725300.db2.gz AHGPSRDEYJPNGH-UHFFFAOYSA-N 1 1 280.799 3.052 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000614402353 348674229 /nfs/dbraw/zinc/67/42/29/348674229.db2.gz USQHVVQQVBPFCP-SFHVURJKSA-N 1 1 284.403 3.259 20 30 CGEDMO CCn1ccc(C[N@H+](C)Cc2ccccc2C#N)c1 ZINC000616737742 348876656 /nfs/dbraw/zinc/87/66/56/348876656.db2.gz IBGCZLITEXLGRA-UHFFFAOYSA-N 1 1 253.349 3.012 20 30 CGEDMO CCn1ccc(C[N@@H+](C)Cc2ccccc2C#N)c1 ZINC000616737742 348876657 /nfs/dbraw/zinc/87/66/57/348876657.db2.gz IBGCZLITEXLGRA-UHFFFAOYSA-N 1 1 253.349 3.012 20 30 CGEDMO CC[N@@H+](CCC(F)(F)F)Cc1ccc(C#N)c(F)c1 ZINC000616751280 348877910 /nfs/dbraw/zinc/87/79/10/348877910.db2.gz JNWJTMOLFWGZBJ-UHFFFAOYSA-N 1 1 274.261 3.472 20 30 CGEDMO C[C@H]1COC(C)(C)C[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000617080187 348914241 /nfs/dbraw/zinc/91/42/41/348914241.db2.gz VRXLMEFCQCCMPF-AWEZNQCLSA-N 1 1 286.419 3.487 20 30 CGEDMO C=CC[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000617782953 349011391 /nfs/dbraw/zinc/01/13/91/349011391.db2.gz PVPUHSOBFJLMFE-DOTOQJQBSA-N 1 1 286.419 3.104 20 30 CGEDMO Cc1ncsc1C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000358563357 233155723 /nfs/dbraw/zinc/15/57/23/233155723.db2.gz WEYQWVSVFIIZQD-VIFPVBQESA-N 1 1 275.352 3.313 20 30 CGEDMO Cc1cc(C[N@H+]2CC[C@H](C(F)(F)F)C2)ccc1C#N ZINC000618752603 349152635 /nfs/dbraw/zinc/15/26/35/349152635.db2.gz HSZHQCIDRDQXKB-ZDUSSCGKSA-N 1 1 268.282 3.251 20 30 CGEDMO Cc1cc(C[N@H+]2CCOCC3(CCCC3)C2)ccc1C#N ZINC000618609088 349121686 /nfs/dbraw/zinc/12/16/86/349121686.db2.gz LKHJYSMURYPKES-UHFFFAOYSA-N 1 1 284.403 3.259 20 30 CGEDMO Cc1nc(N[C@@H]2CCc3cc(C#N)ccc32)c(C)c(C)[nH+]1 ZINC000618694573 349145488 /nfs/dbraw/zinc/14/54/88/349145488.db2.gz UHJCJRSBABWOPV-MRXNPFEDSA-N 1 1 278.359 3.373 20 30 CGEDMO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1nc2c(s1)CCC2 ZINC000618741979 349152285 /nfs/dbraw/zinc/15/22/85/349152285.db2.gz OCIGTPONACMNJI-CQSZACIVSA-N 1 1 295.411 3.281 20 30 CGEDMO Cc1ccncc1C[N@@H+](C)Cc1ccc(C#N)cc1C ZINC000619512835 349255279 /nfs/dbraw/zinc/25/52/79/349255279.db2.gz ZOISXDJJTHKBHK-UHFFFAOYSA-N 1 1 265.360 3.202 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C)cc2Cl)C1 ZINC000625701067 350198291 /nfs/dbraw/zinc/19/82/91/350198291.db2.gz OADTZIGMZXBDDF-ZDUSSCGKSA-N 1 1 292.810 3.485 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CC(=O)Nc2ccc(C)cc2Cl)C1 ZINC000625701067 350198294 /nfs/dbraw/zinc/19/82/94/350198294.db2.gz OADTZIGMZXBDDF-ZDUSSCGKSA-N 1 1 292.810 3.485 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2c(C)nc3ccccn32)C1 ZINC000625701136 350198807 /nfs/dbraw/zinc/19/88/07/350198807.db2.gz OSZHXEYAJNVDNQ-CQSZACIVSA-N 1 1 255.365 3.041 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2cc(-c3ccco3)on2)C1 ZINC000625702191 350199771 /nfs/dbraw/zinc/19/97/71/350199771.db2.gz UPEKENOFALMBOG-GFCCVEGCSA-N 1 1 258.321 3.333 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](CC(=O)Nc2c(C)cccc2Cl)C1 ZINC000625702959 350200151 /nfs/dbraw/zinc/20/01/51/350200151.db2.gz PBTUVBCTLFNQSI-CYBMUJFWSA-N 1 1 292.810 3.485 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CC(=O)Nc2c(C)cccc2Cl)C1 ZINC000625702959 350200153 /nfs/dbraw/zinc/20/01/53/350200153.db2.gz PBTUVBCTLFNQSI-CYBMUJFWSA-N 1 1 292.810 3.485 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CC2)C1 ZINC000625705665 350200670 /nfs/dbraw/zinc/20/06/70/350200670.db2.gz WZIPDBIHVWPGGO-HNAYVOBHSA-N 1 1 298.430 3.152 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000625704234 350200879 /nfs/dbraw/zinc/20/08/79/350200879.db2.gz WTYXUGSKISKDJB-INIZCTEOSA-N 1 1 281.403 3.329 20 30 CGEDMO C=CC[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)C1CC1 ZINC000271332786 191079742 /nfs/dbraw/zinc/07/97/42/191079742.db2.gz ATNVTQWACLSMBS-UHFFFAOYSA-N 1 1 296.773 3.458 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000271355484 191091060 /nfs/dbraw/zinc/09/10/60/191091060.db2.gz ZAZWSMAKQHWQAI-LBPRGKRZSA-N 1 1 271.364 3.032 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C(=O)N2CCCCC2)c1)C1CC1 ZINC000271364553 191098560 /nfs/dbraw/zinc/09/85/60/191098560.db2.gz FWJDIRWJIAHAHS-UHFFFAOYSA-N 1 1 298.430 3.463 20 30 CGEDMO C[C@H]1CCCC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000360627717 233490380 /nfs/dbraw/zinc/49/03/80/233490380.db2.gz CJKCNNAPPVYNFS-AWEZNQCLSA-N 1 1 258.365 3.059 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000628406871 350530002 /nfs/dbraw/zinc/53/00/02/350530002.db2.gz SPEYROGKPKOFEJ-ZDUSSCGKSA-N 1 1 273.405 3.332 20 30 CGEDMO Cc1nsc(NC[C@H]2CCC[N@H+](CC(C)C)C2)c1C#N ZINC000361044572 233554098 /nfs/dbraw/zinc/55/40/98/233554098.db2.gz TZOOYEYXMBATCX-CYBMUJFWSA-N 1 1 292.452 3.103 20 30 CGEDMO CCc1nc(C)c(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)o1 ZINC000291883589 198094842 /nfs/dbraw/zinc/09/48/42/198094842.db2.gz JTYHBODTNNQIJW-JTQLQIEISA-N 1 1 287.338 3.407 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000123221602 187078581 /nfs/dbraw/zinc/07/85/81/187078581.db2.gz KJVIDNPFMPEFQJ-BETUJISGSA-N 1 1 253.349 3.184 20 30 CGEDMO N#CC1(C[N@H+]2CCS[C@H]3CCCC[C@H]32)CCC1 ZINC000336202946 303142150 /nfs/dbraw/zinc/14/21/50/303142150.db2.gz RRCPUYDESFHLRH-OLZOCXBDSA-N 1 1 250.411 3.040 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C1CC1 ZINC000271467355 191156081 /nfs/dbraw/zinc/15/60/81/191156081.db2.gz QNPDGXPUKILOQC-UHFFFAOYSA-N 1 1 298.308 3.294 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C1CC1 ZINC000271467355 191156083 /nfs/dbraw/zinc/15/60/83/191156083.db2.gz QNPDGXPUKILOQC-UHFFFAOYSA-N 1 1 298.308 3.294 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](CCOC3CCC3)CC2)cc1 ZINC000367875371 234257889 /nfs/dbraw/zinc/25/78/89/234257889.db2.gz TUZLSIXILWHRMV-UHFFFAOYSA-N 1 1 282.387 3.216 20 30 CGEDMO CC[N@@H+](Cc1cc(C)ncn1)[C@@H](C)c1ccc(C#N)cc1 ZINC000292277886 198228650 /nfs/dbraw/zinc/22/86/50/198228650.db2.gz XNIGNYXJGCJJKI-AWEZNQCLSA-N 1 1 280.375 3.240 20 30 CGEDMO Cc1cnc(CC[N@H+](C)Cc2ccc(F)c(C#N)c2)s1 ZINC000157815786 188340082 /nfs/dbraw/zinc/34/00/82/188340082.db2.gz XREYLQYXTWVJJK-UHFFFAOYSA-N 1 1 289.379 3.137 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000295187798 199395192 /nfs/dbraw/zinc/39/51/92/199395192.db2.gz ABUBGSHOCHTROQ-BBRMVZONSA-N 1 1 272.392 3.102 20 30 CGEDMO CCC[N@@H+](CC)C[C@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000353482666 283187695 /nfs/dbraw/zinc/18/76/95/283187695.db2.gz GAVHBCCICZRECT-LSDHHAIUSA-N 1 1 273.424 3.329 20 30 CGEDMO CCCN(CC)C[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000353482666 283187696 /nfs/dbraw/zinc/18/76/96/283187696.db2.gz GAVHBCCICZRECT-LSDHHAIUSA-N 1 1 273.424 3.329 20 30 CGEDMO C[C@@H]1CC[C@H](C)C[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000088704504 138342467 /nfs/dbraw/zinc/34/24/67/138342467.db2.gz CROXSGSZRWQRJI-UONOGXRCSA-N 1 1 258.365 3.057 20 30 CGEDMO COc1ccc(C[N@H+]2C[C@H](C)CC[C@@H]2C)cc1C#N ZINC000088704605 138342680 /nfs/dbraw/zinc/34/26/80/138342680.db2.gz JFLRDSNAXDAVPU-OLZOCXBDSA-N 1 1 258.365 3.187 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000336275689 213114903 /nfs/dbraw/zinc/11/49/03/213114903.db2.gz AGNJJXSRNPJCPA-CABCVRRESA-N 1 1 292.329 3.044 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@H]2C[C@@]2(F)c2ccccc2)s1 ZINC000424205176 236133581 /nfs/dbraw/zinc/13/35/81/236133581.db2.gz WGZUMMDHYDJNNB-LSDHHAIUSA-N 1 1 272.348 3.347 20 30 CGEDMO N#Cc1c(F)cccc1C[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000428382620 236399401 /nfs/dbraw/zinc/39/94/01/236399401.db2.gz JWCUDOOEEXYDSV-MRXNPFEDSA-N 1 1 295.361 3.384 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000428382620 236399404 /nfs/dbraw/zinc/39/94/04/236399404.db2.gz JWCUDOOEEXYDSV-MRXNPFEDSA-N 1 1 295.361 3.384 20 30 CGEDMO CO[C@]1(C)CCC[N@@H+](Cc2cccc(F)c2C#N)CC1 ZINC000336124336 212933143 /nfs/dbraw/zinc/93/31/43/212933143.db2.gz QFCZVNPOKOUAPT-MRXNPFEDSA-N 1 1 276.355 3.088 20 30 CGEDMO C[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000437899295 237368675 /nfs/dbraw/zinc/36/86/75/237368675.db2.gz CZZUKHPFHKQQJA-JTQLQIEISA-N 1 1 266.291 3.144 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCCOC3)c(Cl)c1 ZINC000341977718 216175433 /nfs/dbraw/zinc/17/54/33/216175433.db2.gz MUIPOAMXPFYWRU-MRXNPFEDSA-N 1 1 290.794 3.214 20 30 CGEDMO C=CC[NH+]1CCC(N[C@@H](C)c2ccc(CC)o2)CC1 ZINC000177914331 189079084 /nfs/dbraw/zinc/07/90/84/189079084.db2.gz XUHLZNZXDGSMAT-ZDUSSCGKSA-N 1 1 262.397 3.143 20 30 CGEDMO N#Cc1cccc(C[N@@H+](Cc2ccccn2)C2CC2)c1 ZINC000181398644 189295272 /nfs/dbraw/zinc/29/52/72/189295272.db2.gz PGOOFRUYUSYOSK-UHFFFAOYSA-N 1 1 263.344 3.118 20 30 CGEDMO N#Cc1ccc(N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c(F)c1 ZINC000301471608 201020391 /nfs/dbraw/zinc/02/03/91/201020391.db2.gz PMBKNFQSIUCUGQ-OAHLLOKOSA-N 1 1 287.382 3.374 20 30 CGEDMO COC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccco1 ZINC000181848898 189308009 /nfs/dbraw/zinc/30/80/09/189308009.db2.gz RUSYNGBLAHRBJY-DOMZBBRYSA-N 1 1 270.332 3.190 20 30 CGEDMO COC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccco1 ZINC000181848913 189308197 /nfs/dbraw/zinc/30/81/97/189308197.db2.gz RUSYNGBLAHRBJY-SWLSCSKDSA-N 1 1 270.332 3.190 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCNc2ccc(Cl)cc2C#N)C1 ZINC000301519525 201043521 /nfs/dbraw/zinc/04/35/21/201043521.db2.gz KVGMNCHYLGIJCD-GFCCVEGCSA-N 1 1 277.799 3.355 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(CO)cc1 ZINC000182655508 189330192 /nfs/dbraw/zinc/33/01/92/189330192.db2.gz PGIBUDLYUQFQHH-UHFFFAOYSA-N 1 1 294.398 3.463 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCNc1nc2c(cc1C#N)CCCC2 ZINC000301885637 201247322 /nfs/dbraw/zinc/24/73/22/201247322.db2.gz LZYFWOHIODQCLZ-AWEZNQCLSA-N 1 1 298.434 3.118 20 30 CGEDMO Cc1cc(C[NH+]2CCN(c3ccccc3C#N)CC2)cs1 ZINC000449010926 239111198 /nfs/dbraw/zinc/11/11/98/239111198.db2.gz WOBYVCVPCCYDKN-UHFFFAOYSA-N 1 1 297.427 3.250 20 30 CGEDMO C[N@H+](CCC(C)(C)C#N)[C@H]1CCCN(c2ccccc2)C1=O ZINC000119927067 370723621 /nfs/dbraw/zinc/72/36/21/370723621.db2.gz JXEQMKFXQDWKPB-INIZCTEOSA-N 1 1 299.418 3.054 20 30 CGEDMO C[N@@H+](CCC(C)(C)C#N)[C@H]1CCCN(c2ccccc2)C1=O ZINC000119927067 370723628 /nfs/dbraw/zinc/72/36/28/370723628.db2.gz JXEQMKFXQDWKPB-INIZCTEOSA-N 1 1 299.418 3.054 20 30 CGEDMO CCCO[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000120469201 370770194 /nfs/dbraw/zinc/77/01/94/370770194.db2.gz LPJWQCOPYILAOU-MRXNPFEDSA-N 1 1 290.382 3.478 20 30 CGEDMO CC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1OC ZINC000120558666 370780447 /nfs/dbraw/zinc/78/04/47/370780447.db2.gz HQAHMFQFLGFHKV-HNNXBMFYSA-N 1 1 258.365 3.331 20 30 CGEDMO CC(C)[C@H]1[N@@H+](Cc2cc(C#N)cs2)CC12CCOCC2 ZINC000335641723 212358123 /nfs/dbraw/zinc/35/81/23/212358123.db2.gz XQADJCXHCPTTQT-OAHLLOKOSA-N 1 1 290.432 3.257 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)CCc1ccccc1 ZINC000120654872 370788904 /nfs/dbraw/zinc/78/89/04/370788904.db2.gz JYMOZTDVYPMZPG-UHFFFAOYSA-N 1 1 280.371 3.241 20 30 CGEDMO CCC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000120891150 370809717 /nfs/dbraw/zinc/80/97/17/370809717.db2.gz XLJFDJHAOMEVBU-HNNXBMFYSA-N 1 1 285.391 3.009 20 30 CGEDMO C[N@H+]1Cc2ccc(NCc3ccc(C#N)cc3)cc2C1 ZINC000121279331 370848447 /nfs/dbraw/zinc/84/84/47/370848447.db2.gz BOMXVLNWSORJFL-UHFFFAOYSA-N 1 1 263.344 3.116 20 30 CGEDMO C[C@H](C[N@@H+](C)Cc1cc(C#N)cs1)C(=O)OC(C)(C)C ZINC000459773592 242225024 /nfs/dbraw/zinc/22/50/24/242225024.db2.gz PCVBGNZULNMMKK-LLVKDONJSA-N 1 1 294.420 3.029 20 30 CGEDMO C[C@@H]1C[C@@H](Nc2c(Cl)cccc2C#N)CC[N@H+]1C ZINC000462885401 242372259 /nfs/dbraw/zinc/37/22/59/242372259.db2.gz UQRKAEZOZIDFEH-PWSUYJOCSA-N 1 1 263.772 3.106 20 30 CGEDMO C=CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000121565836 370873756 /nfs/dbraw/zinc/87/37/56/370873756.db2.gz KCPGYYPSQRJACD-NSHDSACASA-N 1 1 266.772 3.093 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000121565836 370873761 /nfs/dbraw/zinc/87/37/61/370873761.db2.gz KCPGYYPSQRJACD-NSHDSACASA-N 1 1 266.772 3.093 20 30 CGEDMO Cc1nc(C[N@H+](C)CC(C)(C)CCC#N)cs1 ZINC000125078157 370930823 /nfs/dbraw/zinc/93/08/23/370930823.db2.gz REFGIOGOEFEFJJ-UHFFFAOYSA-N 1 1 251.399 3.213 20 30 CGEDMO CCCOc1ccc(C[NH+]2CCC(C#N)CC2)cc1OC ZINC000123741127 370915137 /nfs/dbraw/zinc/91/51/37/370915137.db2.gz CTZAORJKDHFKQZ-UHFFFAOYSA-N 1 1 288.391 3.220 20 30 CGEDMO C=CC[N@H+](Cc1c(C)n[nH]c1C)Cc1ccc(OC)cc1 ZINC000125429264 370936992 /nfs/dbraw/zinc/93/69/92/370936992.db2.gz GQCUCIUSDYSVSY-UHFFFAOYSA-N 1 1 285.391 3.223 20 30 CGEDMO C=CC[N@@H+](Cc1c(C)n[nH]c1C)Cc1ccc(OC)cc1 ZINC000125429264 370936995 /nfs/dbraw/zinc/93/69/95/370936995.db2.gz GQCUCIUSDYSVSY-UHFFFAOYSA-N 1 1 285.391 3.223 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)Nc1cc(F)ccc1C ZINC000125934085 370941489 /nfs/dbraw/zinc/94/14/89/370941489.db2.gz HGFKFHSAKNGLSQ-ZDUSSCGKSA-N 1 1 278.371 3.359 20 30 CGEDMO CC(C)(C)[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000330620659 203049753 /nfs/dbraw/zinc/04/97/53/203049753.db2.gz KQYWRQUKAVYKPS-MRXNPFEDSA-N 1 1 299.418 3.397 20 30 CGEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000019846954 368773474 /nfs/dbraw/zinc/77/34/74/368773474.db2.gz JJXVXZBSGKKOOT-OKILXGFUSA-N 1 1 285.391 3.150 20 30 CGEDMO C[C@@H](C1CC1)[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000036785340 369028248 /nfs/dbraw/zinc/02/82/48/369028248.db2.gz ZOQKQUXKELUVBM-ZDUSSCGKSA-N 1 1 258.365 3.057 20 30 CGEDMO Cc1nc([C@@H](C)[NH2+]Cc2cccc(C#N)c2)c(C)s1 ZINC000037748795 369103048 /nfs/dbraw/zinc/10/30/48/369103048.db2.gz BKEUWFWWJHQYSP-SNVBAGLBSA-N 1 1 271.389 3.482 20 30 CGEDMO CC[N@@H+](C[C@H](C)C#N)C[C@@H]1CCOc2ccccc21 ZINC000219041772 376195673 /nfs/dbraw/zinc/19/56/73/376195673.db2.gz NWLDGJIBTFRMDA-KGLIPLIRSA-N 1 1 258.365 3.034 20 30 CGEDMO C=CCC[N@H+](C)CCC(=O)Nc1ccccc1SC ZINC000276379484 193308138 /nfs/dbraw/zinc/30/81/38/193308138.db2.gz HYFWDHYXYUEYIY-UHFFFAOYSA-N 1 1 278.421 3.245 20 30 CGEDMO C=C(C)C[NH+]1CCC(NCc2ccc(C)c(F)c2)CC1 ZINC000067121620 369711739 /nfs/dbraw/zinc/71/17/39/369711739.db2.gz IDJNBJTUJMXRDB-UHFFFAOYSA-N 1 1 276.399 3.264 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)Nc1cc(C)c(Cl)cc1OC ZINC000276484887 193351554 /nfs/dbraw/zinc/35/15/54/193351554.db2.gz UCJRXBUTGNCDHI-UHFFFAOYSA-N 1 1 296.798 3.103 20 30 CGEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCCO1 ZINC000068825792 369748033 /nfs/dbraw/zinc/74/80/33/369748033.db2.gz NZELZPZJWLODFK-INIZCTEOSA-N 1 1 290.363 3.152 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1ccc(Cl)cc1C ZINC000072553343 369824534 /nfs/dbraw/zinc/82/45/34/369824534.db2.gz AVAOLYSFUUMZEJ-UHFFFAOYSA-N 1 1 280.799 3.485 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1ccc(Cl)cc1C ZINC000072553343 369824535 /nfs/dbraw/zinc/82/45/35/369824535.db2.gz AVAOLYSFUUMZEJ-UHFFFAOYSA-N 1 1 280.799 3.485 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCSCC#N)[C@H](c2ccccc2)CO1 ZINC000074991953 369893852 /nfs/dbraw/zinc/89/38/52/369893852.db2.gz DDKNARAULMUVTN-ZBFHGGJFSA-N 1 1 290.432 3.095 20 30 CGEDMO C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](CCCC#N)CC1 ZINC000075863180 369918745 /nfs/dbraw/zinc/91/87/45/369918745.db2.gz AMIBLTRGFJMBCG-AWEZNQCLSA-N 1 1 291.826 3.322 20 30 CGEDMO CC[N@@H+](Cc1cccc(OCCCC#N)c1)C[C@H](C)C#N ZINC000091982981 370083301 /nfs/dbraw/zinc/08/33/01/370083301.db2.gz ZWJREVQNYLGZES-OAHLLOKOSA-N 1 1 285.391 3.351 20 30 CGEDMO CC[N@H+](Cc1cccc(OCCCC#N)c1)C[C@H](C)C#N ZINC000091982981 370083305 /nfs/dbraw/zinc/08/33/05/370083305.db2.gz ZWJREVQNYLGZES-OAHLLOKOSA-N 1 1 285.391 3.351 20 30 CGEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000093102324 370109472 /nfs/dbraw/zinc/10/94/72/370109472.db2.gz LVNLKQNIOHYMPJ-CYBMUJFWSA-N 1 1 284.359 3.223 20 30 CGEDMO Cn1c2ccccc2nc1C[N@@H+](C)CC(C)(C)CCC#N ZINC000093364123 370120120 /nfs/dbraw/zinc/12/01/20/370120120.db2.gz YUKLMMCOSAXMTD-UHFFFAOYSA-N 1 1 284.407 3.335 20 30 CGEDMO C[N@@H+](Cc1cccc(OCCCC#N)c1)C1CCC1 ZINC000093475762 370134229 /nfs/dbraw/zinc/13/42/29/370134229.db2.gz SQMUXBVSXSEMJJ-UHFFFAOYSA-N 1 1 258.365 3.353 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cccc(OCCOC)c1 ZINC000093533558 370139334 /nfs/dbraw/zinc/13/93/34/370139334.db2.gz XDDRIVLYBXZHIK-UHFFFAOYSA-N 1 1 263.381 3.110 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cnc(N(CC)CC)s1 ZINC000093533522 370139352 /nfs/dbraw/zinc/13/93/52/370139352.db2.gz GGFKLHSAUOBOKV-UHFFFAOYSA-N 1 1 267.442 3.387 20 30 CGEDMO C[N@@H+](CCCCC#N)CCOc1cccc(Cl)c1 ZINC000102396573 370302874 /nfs/dbraw/zinc/30/28/74/370302874.db2.gz AVNDXKAKKJOIAO-UHFFFAOYSA-N 1 1 266.772 3.344 20 30 CGEDMO C=C(C)C[N@@H+](CC)[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000113499247 370475561 /nfs/dbraw/zinc/47/55/61/370475561.db2.gz ZWQKTOXQXURVLT-LBPRGKRZSA-N 1 1 272.352 3.091 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000113499247 370475567 /nfs/dbraw/zinc/47/55/67/370475567.db2.gz ZWQKTOXQXURVLT-LBPRGKRZSA-N 1 1 272.352 3.091 20 30 CGEDMO Cc1cc(C)n(-c2ccc(C[N@@H+](C)[C@@H](C)CC#N)cc2)n1 ZINC000129667375 370996171 /nfs/dbraw/zinc/99/61/71/370996171.db2.gz MNJDVMZWZATCCN-AWEZNQCLSA-N 1 1 282.391 3.223 20 30 CGEDMO Cc1cc(C)n(-c2ccc(C[N@H+](C)[C@@H](C)CC#N)cc2)n1 ZINC000129667375 370996174 /nfs/dbraw/zinc/99/61/74/370996174.db2.gz MNJDVMZWZATCCN-AWEZNQCLSA-N 1 1 282.391 3.223 20 30 CGEDMO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+](CCCC#N)C3)nc2c1 ZINC000130788376 371058869 /nfs/dbraw/zinc/05/88/69/371058869.db2.gz SEHWYRJPDKCRRP-CQSZACIVSA-N 1 1 282.391 3.355 20 30 CGEDMO Cc1ccc2nc([C@@H]3CCC[N@H+](CCCC#N)C3)[nH]c2c1 ZINC000130788376 371058872 /nfs/dbraw/zinc/05/88/72/371058872.db2.gz SEHWYRJPDKCRRP-CQSZACIVSA-N 1 1 282.391 3.355 20 30 CGEDMO Cc1ccc2nc([C@@H]3CCC[N@@H+](CCCC#N)C3)[nH]c2c1 ZINC000130788376 371058874 /nfs/dbraw/zinc/05/88/74/371058874.db2.gz SEHWYRJPDKCRRP-CQSZACIVSA-N 1 1 282.391 3.355 20 30 CGEDMO CCc1nn(C)c(CC)c1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000131210163 371089961 /nfs/dbraw/zinc/08/99/61/371089961.db2.gz AJFOMUAZDCTTLJ-UHFFFAOYSA-N 1 1 296.418 3.049 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000131466314 371109374 /nfs/dbraw/zinc/10/93/74/371109374.db2.gz NRPBBBFCCHDOPW-AWEZNQCLSA-N 1 1 286.375 3.492 20 30 CGEDMO C=CC[N@@H+](CC(=O)N[C@H](C)c1ccccc1Cl)C1CC1 ZINC000537858046 376204070 /nfs/dbraw/zinc/20/40/70/376204070.db2.gz QUHLDOARGARZCO-GFCCVEGCSA-N 1 1 292.810 3.168 20 30 CGEDMO C=CC[N@H+](CC(=O)N[C@H](C)c1ccccc1Cl)C1CC1 ZINC000537858046 376204078 /nfs/dbraw/zinc/20/40/78/376204078.db2.gz QUHLDOARGARZCO-GFCCVEGCSA-N 1 1 292.810 3.168 20 30 CGEDMO C=CCC[N@H+](Cc1ccccc1OC)C[C@H]1CCCO1 ZINC000133123721 371228732 /nfs/dbraw/zinc/22/87/32/371228732.db2.gz JWSIOUGIIZIWQZ-MRXNPFEDSA-N 1 1 275.392 3.252 20 30 CGEDMO CS[C@H]1CCCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000134549322 371348996 /nfs/dbraw/zinc/34/89/96/371348996.db2.gz PISQBOGYEMMJRA-HNNXBMFYSA-N 1 1 278.396 3.415 20 30 CGEDMO CS[C@@H]1CCCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000134548620 371349261 /nfs/dbraw/zinc/34/92/61/371349261.db2.gz KJFAZDCKQNTGOH-OAHLLOKOSA-N 1 1 278.396 3.415 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000135284989 371410650 /nfs/dbraw/zinc/41/06/50/371410650.db2.gz PARWSXYZZSLXFH-GOSISDBHSA-N 1 1 284.403 3.100 20 30 CGEDMO CC(C)(C#N)CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000134869693 371370197 /nfs/dbraw/zinc/37/01/97/371370197.db2.gz XDUFVGIGHZVZDP-NVXWUHKLSA-N 1 1 289.467 3.265 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000134869693 371370201 /nfs/dbraw/zinc/37/02/01/371370201.db2.gz XDUFVGIGHZVZDP-NVXWUHKLSA-N 1 1 289.467 3.265 20 30 CGEDMO CC(C)(C#N)CCCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134869693 371370204 /nfs/dbraw/zinc/37/02/04/371370204.db2.gz XDUFVGIGHZVZDP-NVXWUHKLSA-N 1 1 289.467 3.265 20 30 CGEDMO CC(C)(C#N)CCCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134869693 371370208 /nfs/dbraw/zinc/37/02/08/371370208.db2.gz XDUFVGIGHZVZDP-NVXWUHKLSA-N 1 1 289.467 3.265 20 30 CGEDMO Cc1cccc(C)c1NC(=O)CCC[N@H+](C)[C@@H](C)CC#N ZINC000138169146 371503589 /nfs/dbraw/zinc/50/35/89/371503589.db2.gz KTXJVMAHQRTBGS-HNNXBMFYSA-N 1 1 287.407 3.256 20 30 CGEDMO C=CCCCCC[N@@H+](C)Cc1nc2ccccc2c(=O)n1C ZINC000150874694 371544596 /nfs/dbraw/zinc/54/45/96/371544596.db2.gz RFFXLWYESUXLQU-UHFFFAOYSA-N 1 1 299.418 3.112 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1nc2ccccc2c(=O)n1C ZINC000150874694 371544605 /nfs/dbraw/zinc/54/46/05/371544605.db2.gz RFFXLWYESUXLQU-UHFFFAOYSA-N 1 1 299.418 3.112 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccccc2C#N)CCC1(F)F ZINC000289650574 371782218 /nfs/dbraw/zinc/78/22/18/371782218.db2.gz DSZLELALSFICEL-LLVKDONJSA-N 1 1 250.292 3.035 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)CCC1(F)F ZINC000289650574 371782227 /nfs/dbraw/zinc/78/22/27/371782227.db2.gz DSZLELALSFICEL-LLVKDONJSA-N 1 1 250.292 3.035 20 30 CGEDMO CC(C)[N@@H+](C)C[C@@H](C)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000290137094 371912979 /nfs/dbraw/zinc/91/29/79/371912979.db2.gz KIKCCIFBJHFGSE-CHWSQXEVSA-N 1 1 277.387 3.077 20 30 CGEDMO CC(C)N(C)C[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000290137094 371912981 /nfs/dbraw/zinc/91/29/81/371912981.db2.gz KIKCCIFBJHFGSE-CHWSQXEVSA-N 1 1 277.387 3.077 20 30 CGEDMO C[N@@H+](CC#Cc1cccc(Cl)c1)CC1CCOCC1 ZINC000155771222 371944085 /nfs/dbraw/zinc/94/40/85/371944085.db2.gz VLJPRAURSVZTBV-UHFFFAOYSA-N 1 1 277.795 3.050 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000344095169 217047638 /nfs/dbraw/zinc/04/76/38/217047638.db2.gz LMYOCNNKMCNMLJ-HNNXBMFYSA-N 1 1 270.376 3.189 20 30 CGEDMO C[N@@H+](CC#Cc1cccc(Cl)c1)C[C@H]1CCCCO1 ZINC000156306322 371973011 /nfs/dbraw/zinc/97/30/11/371973011.db2.gz AWRVQVQAHLQDNC-MRXNPFEDSA-N 1 1 277.795 3.192 20 30 CGEDMO C#CC[N@@H+](CC(=O)Nc1c(C)cccc1CC)C1CCCC1 ZINC000155842294 371947142 /nfs/dbraw/zinc/94/71/42/371947142.db2.gz SNPYAMJRJXEPAG-UHFFFAOYSA-N 1 1 298.430 3.374 20 30 CGEDMO C#CC[N@H+](CC(=O)Nc1c(C)cccc1CC)C1CCCC1 ZINC000155842294 371947146 /nfs/dbraw/zinc/94/71/46/371947146.db2.gz SNPYAMJRJXEPAG-UHFFFAOYSA-N 1 1 298.430 3.374 20 30 CGEDMO CCOc1ccc(C[N@H+](CC)C[C@H](C)C#N)cc1OCC ZINC000157622626 372029359 /nfs/dbraw/zinc/02/93/59/372029359.db2.gz RFKKHVKTDGDLGE-CQSZACIVSA-N 1 1 290.407 3.466 20 30 CGEDMO CCOc1ccc(C[N@@H+](CC)C[C@H](C)C#N)cc1OCC ZINC000157622626 372029362 /nfs/dbraw/zinc/02/93/62/372029362.db2.gz RFKKHVKTDGDLGE-CQSZACIVSA-N 1 1 290.407 3.466 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000424731219 372095844 /nfs/dbraw/zinc/09/58/44/372095844.db2.gz FSNRPMQEQLTOTB-OAHLLOKOSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(O[C@@H](C)C(=O)OC)cc1 ZINC000159011780 372098560 /nfs/dbraw/zinc/09/85/60/372098560.db2.gz AVFWTTFXEXJTDW-AWEZNQCLSA-N 1 1 291.391 3.025 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@@H](n3cc(C)cn3)C2)c1 ZINC000291047568 372104894 /nfs/dbraw/zinc/10/48/94/372104894.db2.gz ZQUPSFINIAGFFI-QGZVFWFLSA-N 1 1 297.402 3.203 20 30 CGEDMO N#CCCCN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159317169 372130409 /nfs/dbraw/zinc/13/04/09/372130409.db2.gz MJJSCNWTVUFDNU-OALUTQOASA-N 1 1 297.446 3.277 20 30 CGEDMO C[N@H+]1CCC[C@]2(CCN(c3cc(Cl)ccc3C#N)C2)C1 ZINC000292850479 372225973 /nfs/dbraw/zinc/22/59/73/372225973.db2.gz RGQMWVGXOUEJJF-INIZCTEOSA-N 1 1 289.810 3.134 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@](O)(CC)C2)cc1Cl ZINC000428416742 372194702 /nfs/dbraw/zinc/19/47/02/372194702.db2.gz AXXZEFMLMPRZPB-MRXNPFEDSA-N 1 1 295.810 3.252 20 30 CGEDMO C=CCOCC[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000292914472 372247095 /nfs/dbraw/zinc/24/70/95/372247095.db2.gz XJZTYABAEWHNGC-HZPDHXFCSA-N 1 1 293.407 3.150 20 30 CGEDMO CC1(C)C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)[C@@H]2CCC[C@H]21 ZINC000292990058 372271590 /nfs/dbraw/zinc/27/15/90/372271590.db2.gz ICRCETUMSVIOCB-ZACQAIPSSA-N 1 1 284.403 3.102 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)OC)C1 ZINC000429186190 372321591 /nfs/dbraw/zinc/32/15/91/372321591.db2.gz WTOQXXPCXRKNEC-LSDHHAIUSA-N 1 1 293.794 3.105 20 30 CGEDMO CCS[C@@H]1CCCC[N@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000429677247 372375780 /nfs/dbraw/zinc/37/57/80/372375780.db2.gz AOAIWGKJQLWHEZ-MELADBBJSA-N 1 1 252.427 3.286 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)[C@H](C)c1cccc(OC)c1 ZINC000429709269 372377431 /nfs/dbraw/zinc/37/74/31/372377431.db2.gz PHWRDEQSTVSVCV-OAHLLOKOSA-N 1 1 276.424 3.196 20 30 CGEDMO C=CC[N@@H+](C)CCN(CC)[C@H](C)c1cccc(OC)c1 ZINC000429709269 372377435 /nfs/dbraw/zinc/37/74/35/372377435.db2.gz PHWRDEQSTVSVCV-OAHLLOKOSA-N 1 1 276.424 3.196 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)[C@H](C)c1cccc(OC)c1 ZINC000429709269 372377437 /nfs/dbraw/zinc/37/74/37/372377437.db2.gz PHWRDEQSTVSVCV-OAHLLOKOSA-N 1 1 276.424 3.196 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)[C@@H](C)c1ccc(F)cc1 ZINC000429702199 372377558 /nfs/dbraw/zinc/37/75/58/372377558.db2.gz MZRMITYMBSBGDX-AWEZNQCLSA-N 1 1 264.388 3.326 20 30 CGEDMO C=CC[N@@H+](C)CCN(CC)[C@@H](C)c1ccc(F)cc1 ZINC000429702199 372377561 /nfs/dbraw/zinc/37/75/61/372377561.db2.gz MZRMITYMBSBGDX-AWEZNQCLSA-N 1 1 264.388 3.326 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)[C@@H](C)c1ccc(F)cc1 ZINC000429702199 372377564 /nfs/dbraw/zinc/37/75/64/372377564.db2.gz MZRMITYMBSBGDX-AWEZNQCLSA-N 1 1 264.388 3.326 20 30 CGEDMO C=CC[N@@H+](Cc1cnc(-c2ccccc2OC)nc1)C1CC1 ZINC000430073421 372383078 /nfs/dbraw/zinc/38/30/78/372383078.db2.gz XFTWGRAJYOQUTL-UHFFFAOYSA-N 1 1 295.386 3.303 20 30 CGEDMO C=CC[N@H+](Cc1cnc(-c2ccccc2OC)nc1)C1CC1 ZINC000430073421 372383085 /nfs/dbraw/zinc/38/30/85/372383085.db2.gz XFTWGRAJYOQUTL-UHFFFAOYSA-N 1 1 295.386 3.303 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC(C)=C[C@@H](C)C2)c1C ZINC000430268189 372388173 /nfs/dbraw/zinc/38/81/73/372388173.db2.gz LXRMXISGUZDTCH-CYBMUJFWSA-N 1 1 286.419 3.372 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CC(C)=C[C@@H](C)C2)c1C ZINC000430268189 372388182 /nfs/dbraw/zinc/38/81/82/372388182.db2.gz LXRMXISGUZDTCH-CYBMUJFWSA-N 1 1 286.419 3.372 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)s1 ZINC000293594783 372420708 /nfs/dbraw/zinc/42/07/08/372420708.db2.gz IVHJRCNSMPFLQP-HNNXBMFYSA-N 1 1 288.416 3.011 20 30 CGEDMO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCOCCC#N ZINC000293627625 372429125 /nfs/dbraw/zinc/42/91/25/372429125.db2.gz WOZBDJRWKRIKRU-GFCCVEGCSA-N 1 1 266.772 3.263 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(Br)cc1 ZINC000052921236 541876065 /nfs/dbraw/zinc/87/60/65/541876065.db2.gz RZFXSSJEZCJKLU-UHFFFAOYSA-N 1 1 254.171 3.457 20 30 CGEDMO C=CCOCC[N@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000293956265 372536738 /nfs/dbraw/zinc/53/67/38/372536738.db2.gz CCBDPUAENZDFCG-UHFFFAOYSA-N 1 1 293.382 3.009 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1ccccc1Br ZINC000052892350 541877589 /nfs/dbraw/zinc/87/75/89/541877589.db2.gz FXQCWFGHRYWDLI-UHFFFAOYSA-N 1 1 254.171 3.457 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccccc1Br ZINC000052892350 541877592 /nfs/dbraw/zinc/87/75/92/541877592.db2.gz FXQCWFGHRYWDLI-UHFFFAOYSA-N 1 1 254.171 3.457 20 30 CGEDMO CCC[C@H]1CN(CCCCC#N)CC[N@H+]1CCCCC#N ZINC000164552248 372523785 /nfs/dbraw/zinc/52/37/85/372523785.db2.gz GYURELPZVBSWST-KRWDZBQOSA-N 1 1 290.455 3.160 20 30 CGEDMO CCC[C@H]1C[N@H+](CCCCC#N)CCN1CCCCC#N ZINC000164552248 372523791 /nfs/dbraw/zinc/52/37/91/372523791.db2.gz GYURELPZVBSWST-KRWDZBQOSA-N 1 1 290.455 3.160 20 30 CGEDMO CCC[C@H]1C[N@@H+](CCCCC#N)CCN1CCCCC#N ZINC000164552248 372523795 /nfs/dbraw/zinc/52/37/95/372523795.db2.gz GYURELPZVBSWST-KRWDZBQOSA-N 1 1 290.455 3.160 20 30 CGEDMO C=CCC(C)(C)CNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000432554369 372568932 /nfs/dbraw/zinc/56/89/32/372568932.db2.gz CBZWYMCEWMBBAN-OAHLLOKOSA-N 1 1 295.471 3.008 20 30 CGEDMO C[N@H+](CCSc1ccccc1F)CC(C)(C)C#N ZINC000433302813 372586346 /nfs/dbraw/zinc/58/63/46/372586346.db2.gz JPEMYVXWTSJOJX-UHFFFAOYSA-N 1 1 266.385 3.399 20 30 CGEDMO C[N@@H+](CCSc1ccccc1F)CC(C)(C)C#N ZINC000433302813 372586354 /nfs/dbraw/zinc/58/63/54/372586354.db2.gz JPEMYVXWTSJOJX-UHFFFAOYSA-N 1 1 266.385 3.399 20 30 CGEDMO C[N@H+](C[C@@H]1CCC2(CCCCC2)O1)CC(C)(C)C#N ZINC000433310568 372587873 /nfs/dbraw/zinc/58/78/73/372587873.db2.gz CUBCYORGIZWLNK-AWEZNQCLSA-N 1 1 264.413 3.350 20 30 CGEDMO C[N@@H+](C[C@@H]1CCC2(CCCCC2)O1)CC(C)(C)C#N ZINC000433310568 372587879 /nfs/dbraw/zinc/58/78/79/372587879.db2.gz CUBCYORGIZWLNK-AWEZNQCLSA-N 1 1 264.413 3.350 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433307509 372588427 /nfs/dbraw/zinc/58/84/27/372588427.db2.gz VPSSLFGXABPSTN-HOCLYGCPSA-N 1 1 279.811 3.456 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000168924285 372623390 /nfs/dbraw/zinc/62/33/90/372623390.db2.gz IXDVBGGZGIXJNO-UHFFFAOYSA-N 1 1 294.782 3.141 20 30 CGEDMO C=CCCC[N@H+]1[C@H](C(=O)OC)CC[C@H]1c1ccccc1 ZINC000434793771 372711467 /nfs/dbraw/zinc/71/14/67/372711467.db2.gz JFXTZIYZZZULNP-HOTGVXAUSA-N 1 1 273.376 3.331 20 30 CGEDMO CC1CC[NH+](CCCN[C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000353428613 220078465 /nfs/dbraw/zinc/07/84/65/220078465.db2.gz SAPWPFSXACFFNS-LJQANCHMSA-N 1 1 297.446 3.257 20 30 CGEDMO CCC[C@@H](O)C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000295558782 372825289 /nfs/dbraw/zinc/82/52/89/372825289.db2.gz QBIUNYVVUKIFJG-XJKSGUPXSA-N 1 1 260.381 3.102 20 30 CGEDMO C=CC[N@H+](CC[C@H]1CCOC1)Cc1ccc(OC)cc1 ZINC000437594824 372853451 /nfs/dbraw/zinc/85/34/51/372853451.db2.gz RDTZFGKKHXMXHD-INIZCTEOSA-N 1 1 275.392 3.110 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](CC[C@@H]3CCOC3)CC2)cc1 ZINC000438105638 372883576 /nfs/dbraw/zinc/88/35/76/372883576.db2.gz QILGLBOZHGFDRL-MRXNPFEDSA-N 1 1 282.387 3.074 20 30 CGEDMO CCC[N@@H+](CCc1cccnc1)Cc1ccc(C#N)cc1 ZINC000172155553 372913823 /nfs/dbraw/zinc/91/38/23/372913823.db2.gz NJRPEVBZAFGLEK-UHFFFAOYSA-N 1 1 279.387 3.408 20 30 CGEDMO Clc1ccccc1C#CC[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000441159139 372998969 /nfs/dbraw/zinc/99/89/69/372998969.db2.gz TXKKBFLNOUXRRY-DOTOQJQBSA-N 1 1 289.806 3.192 20 30 CGEDMO CC1(C)C[C@@H](O)CC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000296003042 372990415 /nfs/dbraw/zinc/99/04/15/372990415.db2.gz KUTBYUILSDUATN-HNNXBMFYSA-N 1 1 292.810 3.195 20 30 CGEDMO CC1(C)C[C@@H](O)CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000296003042 372990424 /nfs/dbraw/zinc/99/04/24/372990424.db2.gz KUTBYUILSDUATN-HNNXBMFYSA-N 1 1 292.810 3.195 20 30 CGEDMO CCSCC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000172765547 373029355 /nfs/dbraw/zinc/02/93/55/373029355.db2.gz YACUPPKDLSYTAD-UHFFFAOYSA-N 1 1 260.406 3.276 20 30 CGEDMO COc1cc(C[N@@H+](C)[C@H](C)c2cccnc2)ccc1C#N ZINC000442832707 373098969 /nfs/dbraw/zinc/09/89/69/373098969.db2.gz FMNCAEYBJFNCRT-CYBMUJFWSA-N 1 1 281.359 3.155 20 30 CGEDMO C[C@H](c1cccc(N[C@@H]2CC[C@H](C#N)C2)c1)[NH+]1CCOCC1 ZINC000442863226 373108986 /nfs/dbraw/zinc/10/89/86/373108986.db2.gz WYWGIXCNAXKINH-RVKKMQEKSA-N 1 1 299.418 3.184 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000442903200 373124989 /nfs/dbraw/zinc/12/49/89/373124989.db2.gz XXTRCWZWGMTORW-XOKHGSTOSA-N 1 1 286.419 3.348 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1cccc([N+](=O)[O-])c1 ZINC000173395526 373135252 /nfs/dbraw/zinc/13/52/52/373135252.db2.gz ORHYEEWUQPAYPL-NSHDSACASA-N 1 1 299.305 3.456 20 30 CGEDMO COc1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)ccc1C#N ZINC000443072881 373149439 /nfs/dbraw/zinc/14/94/39/373149439.db2.gz RZYIZMJOSVWPCG-MFKMUULPSA-N 1 1 298.308 3.340 20 30 CGEDMO C=CC[C@H]1[N@@H+](CCC(=O)OCC)CCCC1(C)C ZINC000444780073 373272597 /nfs/dbraw/zinc/27/25/97/373272597.db2.gz MIJDDLYMPOUVFS-CYBMUJFWSA-N 1 1 253.386 3.006 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)[C@H](C)[C@@H](C)O1 ZINC000444677262 373231739 /nfs/dbraw/zinc/23/17/39/373231739.db2.gz SLUWXKVBCUFJHP-MGPQQGTHSA-N 1 1 252.402 3.204 20 30 CGEDMO CCOC(=O)[C@H](C)[N@@H+](CCCCC(C)(C)C#N)C1CC1 ZINC000444691811 373240418 /nfs/dbraw/zinc/24/04/18/373240418.db2.gz DHTXZZAEWIMWEB-ZDUSSCGKSA-N 1 1 280.412 3.122 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000296814554 373247787 /nfs/dbraw/zinc/24/77/87/373247787.db2.gz VEJWRICSVOTOSE-CABCVRRESA-N 1 1 283.419 3.035 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCN(C2CC2)C[C@H](C)C1 ZINC000296814554 373247791 /nfs/dbraw/zinc/24/77/91/373247791.db2.gz VEJWRICSVOTOSE-CABCVRRESA-N 1 1 283.419 3.035 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCN(C2CC2)C[C@H](C)C1 ZINC000296814554 373247796 /nfs/dbraw/zinc/24/77/96/373247796.db2.gz VEJWRICSVOTOSE-CABCVRRESA-N 1 1 283.419 3.035 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444718903 373251521 /nfs/dbraw/zinc/25/15/21/373251521.db2.gz WUGFBZJIFLBMIF-SNVBAGLBSA-N 1 1 286.272 3.472 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444718903 373251528 /nfs/dbraw/zinc/25/15/28/373251528.db2.gz WUGFBZJIFLBMIF-SNVBAGLBSA-N 1 1 286.272 3.472 20 30 CGEDMO Cc1cc(C[N@@H+](C)CCCSCC#N)ccc1F ZINC000444746468 373258268 /nfs/dbraw/zinc/25/82/68/373258268.db2.gz XVXSYFDGNUIKAB-UHFFFAOYSA-N 1 1 266.385 3.213 20 30 CGEDMO CC(C)[C@H]1C[N@H+](Cc2ccc(F)cc2C#N)CCS1 ZINC000174326744 373292376 /nfs/dbraw/zinc/29/23/76/373292376.db2.gz VVJYKYZPAIXKSG-OAHLLOKOSA-N 1 1 278.396 3.271 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](Cc2ccc(F)cc2C#N)CCS1 ZINC000174326744 373292379 /nfs/dbraw/zinc/29/23/79/373292379.db2.gz VVJYKYZPAIXKSG-OAHLLOKOSA-N 1 1 278.396 3.271 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCc2ncsc2C1 ZINC000445873640 373315586 /nfs/dbraw/zinc/31/55/86/373315586.db2.gz CHXPEMSOFWXBKY-NSHDSACASA-N 1 1 269.373 3.134 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCc2ncsc2C1 ZINC000445873640 373315594 /nfs/dbraw/zinc/31/55/94/373315594.db2.gz CHXPEMSOFWXBKY-NSHDSACASA-N 1 1 269.373 3.134 20 30 CGEDMO C=CC[C@H]1[N@H+](CC[C@@H]2CCOC2)CCCC1(C)C ZINC000446827445 373368048 /nfs/dbraw/zinc/36/80/48/373368048.db2.gz OJAVPOJVVADVQX-HUUCEWRRSA-N 1 1 251.414 3.480 20 30 CGEDMO CN1CC[N@@H+](CC#Cc2ccc(F)cc2)Cc2ccccc21 ZINC000446842483 373370868 /nfs/dbraw/zinc/37/08/68/373370868.db2.gz GAOFJSATNQWFNW-UHFFFAOYSA-N 1 1 294.373 3.129 20 30 CGEDMO N#Cc1ccc(OCC[N@H+]2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000298777631 373407141 /nfs/dbraw/zinc/40/71/41/373407141.db2.gz RZRWEWXKIDNLEX-QGZVFWFLSA-N 1 1 281.359 3.102 20 30 CGEDMO CC(C)(C)c1nnc(C[NH2+][C@H]2CCC[C@H](C#N)C2)s1 ZINC000447573748 373454729 /nfs/dbraw/zinc/45/47/29/373454729.db2.gz JAKRJPPQLBWDET-QWRGUYRKSA-N 1 1 278.425 3.008 20 30 CGEDMO CC(C)(C)c1nnc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)s1 ZINC000447573747 373454797 /nfs/dbraw/zinc/45/47/97/373454797.db2.gz JAKRJPPQLBWDET-MNOVXSKESA-N 1 1 278.425 3.008 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccnn1-c1ccccc1 ZINC000448223973 373556968 /nfs/dbraw/zinc/55/69/68/373556968.db2.gz PPIWAQHFDPHIAY-UHFFFAOYSA-N 1 1 255.365 3.270 20 30 CGEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC2(CCCC2)C1 ZINC000177162880 373659022 /nfs/dbraw/zinc/65/90/22/373659022.db2.gz OGQFPTJSNDURLV-INIZCTEOSA-N 1 1 298.386 3.038 20 30 CGEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC2(CCCC2)C1 ZINC000177162880 373659032 /nfs/dbraw/zinc/65/90/32/373659032.db2.gz OGQFPTJSNDURLV-INIZCTEOSA-N 1 1 298.386 3.038 20 30 CGEDMO C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CCCN(CC)C1 ZINC000449104237 373662089 /nfs/dbraw/zinc/66/20/89/373662089.db2.gz FHBJOPLRCUCTIM-CVEARBPZSA-N 1 1 252.446 3.443 20 30 CGEDMO N#Cc1cccc(C[N@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)c1 ZINC000449530500 373828964 /nfs/dbraw/zinc/82/89/64/373828964.db2.gz ADWIIWHQYPUQIL-SJORKVTESA-N 1 1 252.361 3.179 20 30 CGEDMO C=CCC[C@H]([NH2+][C@@H]1CCC[C@@H]1C1CC1)C(=O)OCC ZINC000449656062 373838288 /nfs/dbraw/zinc/83/82/88/373838288.db2.gz JBUNPAYXXKABAP-KFWWJZLASA-N 1 1 265.397 3.053 20 30 CGEDMO CO[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)[C@@H](C)C1 ZINC000302338555 373853465 /nfs/dbraw/zinc/85/34/65/373853465.db2.gz JVRXHZSXCPUORS-UONOGXRCSA-N 1 1 252.402 3.206 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000449862414 373948792 /nfs/dbraw/zinc/94/87/92/373948792.db2.gz XIUHVWILPGRTGF-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC1(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CCCCC1 ZINC000449869266 373951725 /nfs/dbraw/zinc/95/17/25/373951725.db2.gz NCDCZHKDFGOXDP-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO N#Cc1ccc(C[N@H+](Cc2ccccc2O)C2CC2)cc1 ZINC000179925254 373939954 /nfs/dbraw/zinc/93/99/54/373939954.db2.gz MLZMGMFMJHIXTI-UHFFFAOYSA-N 1 1 278.355 3.428 20 30 CGEDMO N#CC1(C[N@@H+](Cc2ccc(F)cc2)C2CC2)CCC1 ZINC000450211269 374000118 /nfs/dbraw/zinc/00/01/18/374000118.db2.gz OWYLXVZJRYYITA-UHFFFAOYSA-N 1 1 258.340 3.484 20 30 CGEDMO N#CC1(C[N@H+](Cc2ccc(F)cc2)C2CC2)CCC1 ZINC000450211269 374000123 /nfs/dbraw/zinc/00/01/23/374000123.db2.gz OWYLXVZJRYYITA-UHFFFAOYSA-N 1 1 258.340 3.484 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCCNc1c(C#N)cccc1C#N ZINC000302862494 373987758 /nfs/dbraw/zinc/98/77/58/373987758.db2.gz WDDYJEVTTPOAHX-AWEZNQCLSA-N 1 1 282.391 3.106 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000181101389 374080666 /nfs/dbraw/zinc/08/06/66/374080666.db2.gz CRKDCIIVDSXFNK-HOTGVXAUSA-N 1 1 295.471 3.247 20 30 CGEDMO CSCCC[N@@H+](C)Cc1ccc(C#N)cc1Cl ZINC000306021974 374126329 /nfs/dbraw/zinc/12/63/29/374126329.db2.gz QFRGNKOEWQGURL-UHFFFAOYSA-N 1 1 268.813 3.397 20 30 CGEDMO CCOc1ccc([C@@H](C)[NH2+]CC2(C#N)CCC2)cc1OC ZINC000450663084 374169079 /nfs/dbraw/zinc/16/90/79/374169079.db2.gz KOJMNNONLDOLJC-CYBMUJFWSA-N 1 1 288.391 3.438 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CCC1)c1cccc(N2CCCC2=O)c1 ZINC000450666480 374169509 /nfs/dbraw/zinc/16/95/09/374169509.db2.gz IIZXCEZKLOIZFV-AWEZNQCLSA-N 1 1 297.402 3.158 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(C(=O)OC)c(Cl)c1 ZINC000450693616 374172109 /nfs/dbraw/zinc/17/21/09/374172109.db2.gz BXGFOWYSJMKTDZ-UHFFFAOYSA-N 1 1 267.756 3.135 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)[C@@H](C)C1 ZINC000311271998 374237576 /nfs/dbraw/zinc/23/75/76/374237576.db2.gz SLFSCDAKVDQASQ-SMDDNHRTSA-N 1 1 278.783 3.211 20 30 CGEDMO CC(C)(C)[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000317834042 374341250 /nfs/dbraw/zinc/34/12/50/374341250.db2.gz JOTQMKLWFZFQKG-HNNXBMFYSA-N 1 1 299.418 3.255 20 30 CGEDMO C[C@H](C[N@@H+](C)Cc1cc(C#N)cs1)c1nccs1 ZINC000183259687 374392662 /nfs/dbraw/zinc/39/26/62/374392662.db2.gz OOPSBTWQQJQPOX-SNVBAGLBSA-N 1 1 277.418 3.312 20 30 CGEDMO Cc1noc(C)c1CCNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000329590460 374411331 /nfs/dbraw/zinc/41/13/31/374411331.db2.gz ZRHXFLSKUSAQRW-AWEZNQCLSA-N 1 1 293.411 3.055 20 30 CGEDMO CC[C@H]1CCC[N@@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000331226024 374514785 /nfs/dbraw/zinc/51/47/85/374514785.db2.gz ZWXCELBHIPXAOV-LBPRGKRZSA-N 1 1 291.420 3.050 20 30 CGEDMO CC[C@H]1CCC[N@H+]1CC(=O)Nc1sc(C)c(C)c1C#N ZINC000331226024 374514793 /nfs/dbraw/zinc/51/47/93/374514793.db2.gz ZWXCELBHIPXAOV-LBPRGKRZSA-N 1 1 291.420 3.050 20 30 CGEDMO Cc1csc([C@@H](C)[NH2+]CC#Cc2ccc(F)cc2)n1 ZINC000184152642 374498694 /nfs/dbraw/zinc/49/86/94/374498694.db2.gz NMYFUXADKLZPKS-GFCCVEGCSA-N 1 1 274.364 3.293 20 30 CGEDMO C=CCCC[C@@H](C)[N@@H+](C)CC(=O)Nc1cc(C)ccn1 ZINC000091556226 541967514 /nfs/dbraw/zinc/96/75/14/541967514.db2.gz INONRVATDNHEHH-CQSZACIVSA-N 1 1 275.396 3.005 20 30 CGEDMO C[C@H]1CC[C@H](C)[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459371555 374804283 /nfs/dbraw/zinc/80/42/83/374804283.db2.gz YJGZSRGRGIMSEI-RYUDHWBXSA-N 1 1 273.336 3.087 20 30 CGEDMO C[C@H]1CC[C@H](C)[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459371555 374804288 /nfs/dbraw/zinc/80/42/88/374804288.db2.gz YJGZSRGRGIMSEI-RYUDHWBXSA-N 1 1 273.336 3.087 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459802633 374821543 /nfs/dbraw/zinc/82/15/43/374821543.db2.gz MWDRXZQUKGQCHX-ZOCIIQOWSA-N 1 1 298.430 3.492 20 30 CGEDMO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000187065208 374963157 /nfs/dbraw/zinc/96/31/57/374963157.db2.gz MXGLZIKBRSHCOQ-CVEARBPZSA-N 1 1 292.810 3.337 20 30 CGEDMO CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000187065208 374963163 /nfs/dbraw/zinc/96/31/63/374963163.db2.gz MXGLZIKBRSHCOQ-CVEARBPZSA-N 1 1 292.810 3.337 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)Nc1cccc(C(C)C)c1 ZINC000467303507 374973949 /nfs/dbraw/zinc/97/39/49/374973949.db2.gz AJNNVLUIMYFXHA-UHFFFAOYSA-N 1 1 260.381 3.256 20 30 CGEDMO CC[N@@H+](CCCCC#N)[C@H](COC)Cc1ccccc1 ZINC000472340716 375019239 /nfs/dbraw/zinc/01/92/39/375019239.db2.gz FLLVGDXUSFBJSH-KRWDZBQOSA-N 1 1 274.408 3.260 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC000472766703 375033816 /nfs/dbraw/zinc/03/38/16/375033816.db2.gz HEPAHOXCLVTOOM-IRXDYDNUSA-N 1 1 259.393 3.459 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000129634996 296225745 /nfs/dbraw/zinc/22/57/45/296225745.db2.gz LVRZUHLPYWLYQA-VKJFTORMSA-N 1 1 294.402 3.399 20 30 CGEDMO CC[C@@]1(CO)CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000187637234 375061285 /nfs/dbraw/zinc/06/12/85/375061285.db2.gz NSMYJPWXJNFXPE-QGZVFWFLSA-N 1 1 291.822 3.176 20 30 CGEDMO C[C@@H]1Oc2ccccc2[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000335144700 375171491 /nfs/dbraw/zinc/17/14/91/375171491.db2.gz MVPUIIJPEYIBRG-GTNSWQLSSA-N 1 1 282.318 3.309 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCOC[C@]2(C)CC)c1 ZINC000482528658 375171563 /nfs/dbraw/zinc/17/15/63/375171563.db2.gz GNOLRFLGIUCAJS-KRWDZBQOSA-N 1 1 275.392 3.252 20 30 CGEDMO C[C@@H](CO)[N@@H+](CC#Cc1ccc(Cl)cc1)CC1CCC1 ZINC000483154844 375176356 /nfs/dbraw/zinc/17/63/56/375176356.db2.gz VSVFTCNHZCWOON-AWEZNQCLSA-N 1 1 291.822 3.174 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000483342073 375179779 /nfs/dbraw/zinc/17/97/79/375179779.db2.gz BVKAHZPSCAEOOK-WBVHZDCISA-N 1 1 281.440 3.391 20 30 CGEDMO N#CC1(C[N@@H+]2CCC[C@H](c3nccs3)C2)CCC1 ZINC000335220344 375239757 /nfs/dbraw/zinc/23/97/57/375239757.db2.gz KNCOEFAAVWMWGJ-LBPRGKRZSA-N 1 1 261.394 3.016 20 30 CGEDMO N#CC1(C[N@H+]2CCC[C@H](c3nccs3)C2)CCC1 ZINC000335220344 375239764 /nfs/dbraw/zinc/23/97/64/375239764.db2.gz KNCOEFAAVWMWGJ-LBPRGKRZSA-N 1 1 261.394 3.016 20 30 CGEDMO Cc1cc(C[N@@H+](C)CCC(F)(F)F)ccc1C#N ZINC000487904687 375283221 /nfs/dbraw/zinc/28/32/21/375283221.db2.gz FNXQXBMYMYTRAZ-UHFFFAOYSA-N 1 1 256.271 3.251 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000487916126 375284729 /nfs/dbraw/zinc/28/47/29/375284729.db2.gz PZQGPWKYPJCEOY-NWDGAFQWSA-N 1 1 265.319 3.120 20 30 CGEDMO N#Cc1csc(C[N@H+]2CC[C@@H](c3cccnc3)C2)c1 ZINC000335442103 375296634 /nfs/dbraw/zinc/29/66/34/375296634.db2.gz HYXVYPCFTPWTSM-CQSZACIVSA-N 1 1 269.373 3.004 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3cccnc3)C2)s1 ZINC000335445577 375299590 /nfs/dbraw/zinc/29/95/90/375299590.db2.gz XKPSQAODOBHZTJ-CYBMUJFWSA-N 1 1 269.373 3.004 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CCC(=O)c1ccc(F)cc1 ZINC000489424118 375317720 /nfs/dbraw/zinc/31/77/20/375317720.db2.gz JNPHRDIRKPOTMA-OAHLLOKOSA-N 1 1 261.340 3.439 20 30 CGEDMO N#CC1(CC[N@H+]2CCO[C@@]3(CCSC3)C2)CCCCC1 ZINC000335395456 375269135 /nfs/dbraw/zinc/26/91/35/375269135.db2.gz OMSNWEHMFCNTSD-INIZCTEOSA-N 1 1 294.464 3.058 20 30 CGEDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000335681234 375342293 /nfs/dbraw/zinc/34/22/93/375342293.db2.gz OYJAPBLMDVKWDV-SKDRFNHKSA-N 1 1 286.272 3.470 20 30 CGEDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000335681234 375342298 /nfs/dbraw/zinc/34/22/98/375342298.db2.gz OYJAPBLMDVKWDV-SKDRFNHKSA-N 1 1 286.272 3.470 20 30 CGEDMO N#C[C@@H]1CC[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000335835231 375468443 /nfs/dbraw/zinc/46/84/43/375468443.db2.gz OIAJSARXQKLQQZ-GDBMZVCRSA-N 1 1 275.440 3.065 20 30 CGEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000335813292 375451621 /nfs/dbraw/zinc/45/16/21/375451621.db2.gz IFFUKGWUYVGTJV-HNNXBMFYSA-N 1 1 298.365 3.374 20 30 CGEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1cccc(C#N)c1F ZINC000335813292 375451625 /nfs/dbraw/zinc/45/16/25/375451625.db2.gz IFFUKGWUYVGTJV-HNNXBMFYSA-N 1 1 298.365 3.374 20 30 CGEDMO N#CC1(C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000494492945 375488620 /nfs/dbraw/zinc/48/86/20/375488620.db2.gz IWVZQTOBUJGVGT-KBPBESRZSA-N 1 1 294.757 3.202 20 30 CGEDMO C=CC[N@H+](C)Cc1cccc(Br)c1C ZINC000494643932 375489540 /nfs/dbraw/zinc/48/95/40/375489540.db2.gz WNCIUQKLTSGEBR-UHFFFAOYSA-N 1 1 254.171 3.375 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCSC[C@H](C)C1 ZINC000190487635 375514935 /nfs/dbraw/zinc/51/49/35/375514935.db2.gz VURJKPNKXKYPKJ-OLZOCXBDSA-N 1 1 260.406 3.304 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@H]2Cc2cccc(F)c2)cc1C#N ZINC000191260138 375602635 /nfs/dbraw/zinc/60/26/35/375602635.db2.gz XSCPVKMYQXAJJU-KRWDZBQOSA-N 1 1 297.377 3.243 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1cnc(C)cn1 ZINC000505790275 375661986 /nfs/dbraw/zinc/66/19/86/375661986.db2.gz MBKLNHJVVABVNA-UHFFFAOYSA-N 1 1 267.376 3.016 20 30 CGEDMO C[C@H](C1CC1)[N@@H+](Cc1ccc(C#N)c(F)c1)C1CC1 ZINC000191941908 375679892 /nfs/dbraw/zinc/67/98/92/375679892.db2.gz LIIRVCIMHFQHIO-LLVKDONJSA-N 1 1 258.340 3.460 20 30 CGEDMO Cc1cc(C[N@H+]2CCCC[C@@]2(C)C(N)=O)ccc1C#N ZINC000336092307 375681243 /nfs/dbraw/zinc/68/12/43/375681243.db2.gz HUHZLHKBFGVNAU-INIZCTEOSA-N 1 1 271.364 3.147 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+](Cc1ccncc1)C1CC1 ZINC000192133627 375699980 /nfs/dbraw/zinc/69/99/80/375699980.db2.gz MIAXUBUGCPCBJM-UHFFFAOYSA-N 1 1 262.356 3.098 20 30 CGEDMO C(#Cc1ccccc1)C[N@@H+](Cc1ccncc1)C1CC1 ZINC000192133627 375699988 /nfs/dbraw/zinc/69/99/88/375699988.db2.gz MIAXUBUGCPCBJM-UHFFFAOYSA-N 1 1 262.356 3.098 20 30 CGEDMO CC#CC[N@@H+]1CC=C(c2ccc(OCC)cc2)CC1 ZINC000509466934 375781586 /nfs/dbraw/zinc/78/15/86/375781586.db2.gz WKKXVVWBQGLRMQ-UHFFFAOYSA-N 1 1 255.361 3.198 20 30 CGEDMO C=C(C)CC[N@H+]1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000509022055 375767996 /nfs/dbraw/zinc/76/79/96/375767996.db2.gz JTTWFZOSWHKLJV-MRXNPFEDSA-N 1 1 263.356 3.474 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000509128209 375772524 /nfs/dbraw/zinc/77/25/24/375772524.db2.gz VMICGCVDGQCUCD-KRWDZBQOSA-N 1 1 257.377 3.474 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]2c2cccnc2)c1 ZINC000336521880 375803134 /nfs/dbraw/zinc/80/31/34/375803134.db2.gz XGZGYAHCTFJKKY-KRWDZBQOSA-N 1 1 263.344 3.290 20 30 CGEDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000336542219 375819659 /nfs/dbraw/zinc/81/96/59/375819659.db2.gz CLNSYCWAPWIUQK-SKDRFNHKSA-N 1 1 286.272 3.470 20 30 CGEDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC000336542219 375819665 /nfs/dbraw/zinc/81/96/65/375819665.db2.gz CLNSYCWAPWIUQK-SKDRFNHKSA-N 1 1 286.272 3.470 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000511755507 375792305 /nfs/dbraw/zinc/79/23/05/375792305.db2.gz LGXRMINBHDZPHG-KURKYZTESA-N 1 1 298.430 3.431 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000524756893 375881277 /nfs/dbraw/zinc/88/12/77/375881277.db2.gz PMGFAWXBSVZLRA-FRRDWIJNSA-N 1 1 260.406 3.445 20 30 CGEDMO C=C(CC)C[N@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000528596442 375906499 /nfs/dbraw/zinc/90/64/99/375906499.db2.gz HLZGPZBFZQGBMO-UHFFFAOYSA-N 1 1 259.397 3.098 20 30 CGEDMO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2C2CCCC2)cc1 ZINC000193675355 375908079 /nfs/dbraw/zinc/90/80/79/375908079.db2.gz ARYFTOXBTBABGQ-QGZVFWFLSA-N 1 1 297.402 3.151 20 30 CGEDMO N#Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]2C2CCCC2)cc1 ZINC000193675374 375909398 /nfs/dbraw/zinc/90/93/98/375909398.db2.gz ARYFTOXBTBABGQ-KRWDZBQOSA-N 1 1 297.402 3.151 20 30 CGEDMO CSC[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000336817193 375972957 /nfs/dbraw/zinc/97/29/57/375972957.db2.gz PDCGYIKIKZJBNO-LBPRGKRZSA-N 1 1 278.396 3.272 20 30 CGEDMO CC[C@@H](C)[N@@H+](C)CCNc1nc(C)c(C#N)cc1Cl ZINC000336819400 375975516 /nfs/dbraw/zinc/97/55/16/375975516.db2.gz ZPQBSTAGYVJTGX-SNVBAGLBSA-N 1 1 280.803 3.057 20 30 CGEDMO C[C@@H]1[C@@H](Nc2cccc(C#N)n2)CC[N@H+]1Cc1ccccc1 ZINC000336710778 375913253 /nfs/dbraw/zinc/91/32/53/375913253.db2.gz KWKQOFWWJDMPOH-PBHICJAKSA-N 1 1 292.386 3.028 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(Br)s1 ZINC000336729080 375923777 /nfs/dbraw/zinc/92/37/77/375923777.db2.gz IRGMJMNWUZKIQC-MRVPVSSYSA-N 1 1 285.210 3.465 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000529623875 375930851 /nfs/dbraw/zinc/93/08/51/375930851.db2.gz WJPJNFFCSFLWLC-ZDUSSCGKSA-N 1 1 253.349 3.294 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000529715226 375934294 /nfs/dbraw/zinc/93/42/94/375934294.db2.gz YNQPXDDQXCCMNJ-OAHLLOKOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000530623114 375942421 /nfs/dbraw/zinc/94/24/21/375942421.db2.gz CFPXFENHLGXQGK-CQSZACIVSA-N 1 1 261.340 3.297 20 30 CGEDMO CSCC[C@H](C)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000337172845 376113832 /nfs/dbraw/zinc/11/38/32/376113832.db2.gz FXOYUPVARSJZRN-AWEZNQCLSA-N 1 1 284.469 3.160 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)CCCC1(C#N)CCOCC1 ZINC000337196490 376129003 /nfs/dbraw/zinc/12/90/03/376129003.db2.gz WHVJEOIWQBPZFJ-UHFFFAOYSA-N 1 1 291.439 3.349 20 30 CGEDMO C[C@H]1C[N@@H+](CCCC2(C#N)CCOCC2)CC(C)(C)C1 ZINC000337202371 376132347 /nfs/dbraw/zinc/13/23/47/376132347.db2.gz GUXLVURMNBHRFY-OAHLLOKOSA-N 1 1 278.440 3.455 20 30 CGEDMO Cc1cccc2c1C[N@@H+](CCCC1(C#N)CCOCC1)CC2 ZINC000337222775 376148258 /nfs/dbraw/zinc/14/82/58/376148258.db2.gz CZAMFKNACNFURI-UHFFFAOYSA-N 1 1 298.430 3.454 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]2Cc2ccccc2)s1 ZINC000537619149 376182693 /nfs/dbraw/zinc/18/26/93/376182693.db2.gz XHVDEIYBUCHRCP-CQSZACIVSA-N 1 1 268.385 3.437 20 30 CGEDMO CC[C@@H](C)[N@@H+](C)CCNc1ccc(C#N)c(Cl)c1 ZINC000218089683 376184838 /nfs/dbraw/zinc/18/48/38/376184838.db2.gz UKRGGKYRWLKDNS-LLVKDONJSA-N 1 1 265.788 3.354 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)Cc1ccccc1C ZINC000337334996 376212889 /nfs/dbraw/zinc/21/28/89/376212889.db2.gz BYLCQTHOFGQJCD-INIZCTEOSA-N 1 1 288.435 3.240 20 30 CGEDMO N#Cc1cccc(C[NH+]2CCC(C(F)(F)F)CC2)c1F ZINC000223550366 376257031 /nfs/dbraw/zinc/25/70/31/376257031.db2.gz GCOLLMYEAIEFDA-UHFFFAOYSA-N 1 1 286.272 3.472 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2C[C@H](O)[C@H](CC)C2)cc1Cl ZINC000538794303 376273292 /nfs/dbraw/zinc/27/32/92/376273292.db2.gz SXJAUBRHUMGWLF-HIFRSBDPSA-N 1 1 295.810 3.108 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c(F)c1 ZINC000228013417 376422362 /nfs/dbraw/zinc/42/23/62/376422362.db2.gz ABOUZQXZUKPVFP-XJKSGUPXSA-N 1 1 258.340 3.462 20 30 CGEDMO C=CCCN1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000338547330 376422382 /nfs/dbraw/zinc/42/23/82/376422382.db2.gz SKCMQJLFFMMPMV-UHFFFAOYSA-N 1 1 264.438 3.004 20 30 CGEDMO C=CCC[C@@H](C)[NH2+][C@@H](C(=O)OC(C)(C)C)C(C)C ZINC000541767510 376479031 /nfs/dbraw/zinc/47/90/31/376479031.db2.gz BUGGZYAJRUZQAS-CHWSQXEVSA-N 1 1 255.402 3.297 20 30 CGEDMO C[N@@H+](Cc1cccs1)Cc1ccc(F)c(C#N)c1 ZINC000229747589 376470049 /nfs/dbraw/zinc/47/00/49/376470049.db2.gz LETRPWCHXFMONQ-UHFFFAOYSA-N 1 1 260.337 3.391 20 30 CGEDMO CC[N@@H+](CC1CCC1)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000230316484 376505267 /nfs/dbraw/zinc/50/52/67/376505267.db2.gz QDBQQRUWAPOKPD-ZDUSSCGKSA-N 1 1 285.391 3.007 20 30 CGEDMO COc1cc(C[N@@H+](C)Cc2ccc(F)cc2)ccc1C#N ZINC000234928426 376624248 /nfs/dbraw/zinc/62/42/48/376624248.db2.gz MBWSESZDNDGPCL-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@@H](C)CC2)ccc1C#N ZINC000234973810 376627260 /nfs/dbraw/zinc/62/72/60/376627260.db2.gz YVYCVURDNGJCHY-CYBMUJFWSA-N 1 1 258.365 3.189 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@](F)(c3ccccc3F)C2)C1 ZINC000339174263 376726055 /nfs/dbraw/zinc/72/60/55/376726055.db2.gz GJALVHOKAGKWBH-IOASZLSFSA-N 1 1 276.330 3.388 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@@](F)(c3ccccc3F)C2)C1 ZINC000339174263 376726066 /nfs/dbraw/zinc/72/60/66/376726066.db2.gz GJALVHOKAGKWBH-IOASZLSFSA-N 1 1 276.330 3.388 20 30 CGEDMO CC(C)c1ccc(C[NH+]2CCN(CC3(C#N)CC3)CC2)cc1 ZINC000339447103 376759996 /nfs/dbraw/zinc/75/99/96/376759996.db2.gz DBNMVQJEWHQZTI-UHFFFAOYSA-N 1 1 297.446 3.231 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@@H]1CCC ZINC000544528750 376742085 /nfs/dbraw/zinc/74/20/85/376742085.db2.gz ITTZWSVWXBPQNZ-HNNXBMFYSA-N 1 1 266.429 3.066 20 30 CGEDMO C[N@@H+](CC#Cc1cccc(Cl)c1)C[C@H]1CCCC[C@H]1O ZINC000245559021 376854352 /nfs/dbraw/zinc/85/43/52/376854352.db2.gz VVVGENHSJNNJLE-NVXWUHKLSA-N 1 1 291.822 3.174 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000245597798 376865519 /nfs/dbraw/zinc/86/55/19/376865519.db2.gz LVRZUHLPYWLYQA-RVKKMQEKSA-N 1 1 294.402 3.399 20 30 CGEDMO N#Cc1ccccc1C[NH2+][C@H](c1cccnc1)C1CC1 ZINC000340104764 376919613 /nfs/dbraw/zinc/91/96/13/376919613.db2.gz KDCJSEMMVRTWDE-KRWDZBQOSA-N 1 1 263.344 3.194 20 30 CGEDMO CC(C)[N@@H+]1CCC[C@H](CN[C@H](C)c2cccc(C#N)c2)C1 ZINC000245949341 376942580 /nfs/dbraw/zinc/94/25/80/376942580.db2.gz WEEFCDIVKYVRKZ-NVXWUHKLSA-N 1 1 285.435 3.329 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H](CN[C@H](C)c2cccc(C#N)c2)C1 ZINC000245949341 376942588 /nfs/dbraw/zinc/94/25/88/376942588.db2.gz WEEFCDIVKYVRKZ-NVXWUHKLSA-N 1 1 285.435 3.329 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245960966 376944764 /nfs/dbraw/zinc/94/47/64/376944764.db2.gz YEHRGVJILPFYFT-BYNSBNAKSA-N 1 1 266.429 3.109 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000246014810 376953098 /nfs/dbraw/zinc/95/30/98/376953098.db2.gz LYTVYVNFSYQASQ-AEFFLSMTSA-N 1 1 271.404 3.465 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000246079645 376962189 /nfs/dbraw/zinc/96/21/89/376962189.db2.gz ZOYZCCHBGBKXGI-DLBZAZTESA-N 1 1 259.393 3.021 20 30 CGEDMO C=CCCN1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000246238090 376994860 /nfs/dbraw/zinc/99/48/60/376994860.db2.gz UIKLBNTXNABWIZ-HOTGVXAUSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CCCN1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000246238090 376994870 /nfs/dbraw/zinc/99/48/70/376994870.db2.gz UIKLBNTXNABWIZ-HOTGVXAUSA-N 1 1 250.430 3.149 20 30 CGEDMO CCS[C@@H]1CCCC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000246625352 377064186 /nfs/dbraw/zinc/06/41/86/377064186.db2.gz UKZJYAOUQNNQLX-ZIAGYGMSSA-N 1 1 265.426 3.038 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1C[C@H](c2ccccc2C)OC[C@H]1C ZINC000246670985 377069878 /nfs/dbraw/zinc/06/98/78/377069878.db2.gz DELFLVVXPQNILB-SOLBZPMBSA-N 1 1 289.419 3.084 20 30 CGEDMO C[C@H]1CC[N@@H+](CCCC(C)(C)C#N)C[C@H]1n1ccnc1 ZINC000246712037 377074724 /nfs/dbraw/zinc/07/47/24/377074724.db2.gz XZBFRKTXTFMZKG-LSDHHAIUSA-N 1 1 274.412 3.096 20 30 CGEDMO C[N@H+](CCOc1ccccc1)Cc1cc(C#N)ccc1F ZINC000248088886 377266936 /nfs/dbraw/zinc/26/69/36/377266936.db2.gz XIIHBZIHHJVMTP-UHFFFAOYSA-N 1 1 284.334 3.208 20 30 CGEDMO C[N@@H+](CCOc1ccccc1)Cc1cc(C#N)ccc1F ZINC000248088886 377266949 /nfs/dbraw/zinc/26/69/49/377266949.db2.gz XIIHBZIHHJVMTP-UHFFFAOYSA-N 1 1 284.334 3.208 20 30 CGEDMO C[C@H](C1CC1)[N@@H+](Cc1cccc(C#N)c1F)C1CC1 ZINC000340766476 377247974 /nfs/dbraw/zinc/24/79/74/377247974.db2.gz YVBQVSWIXGEUPP-LLVKDONJSA-N 1 1 258.340 3.460 20 30 CGEDMO CC[N@@H+](CCc1nccs1)Cc1cccc(C#N)c1F ZINC000340959621 377336215 /nfs/dbraw/zinc/33/62/15/377336215.db2.gz RAYNPGHLNGQLCC-UHFFFAOYSA-N 1 1 289.379 3.218 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000340884313 377303712 /nfs/dbraw/zinc/30/37/12/377303712.db2.gz FAMVLCQGLNKYQI-HUUCEWRRSA-N 1 1 288.439 3.149 20 30 CGEDMO C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1cn(-c2ccccc2)nn1 ZINC000248898613 377424478 /nfs/dbraw/zinc/42/44/78/377424478.db2.gz UFHOWUHYMZFMBI-ZNMIVQPWSA-N 1 1 295.390 3.000 20 30 CGEDMO N#CCc1ccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000565717116 377489082 /nfs/dbraw/zinc/48/90/82/377489082.db2.gz URVDLOKIOXRFEQ-GUDVDZBRSA-N 1 1 297.446 3.153 20 30 CGEDMO Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CCCC#N)C2)s1 ZINC000568566634 377519435 /nfs/dbraw/zinc/51/94/35/377519435.db2.gz UPYTZPWAOIBHOM-OAHLLOKOSA-N 1 1 291.464 3.114 20 30 CGEDMO Cc1ccc(CN2CC[C@H](C[N@H+](C)CCCC#N)C2)s1 ZINC000568566634 377519465 /nfs/dbraw/zinc/51/94/65/377519465.db2.gz UPYTZPWAOIBHOM-OAHLLOKOSA-N 1 1 291.464 3.114 20 30 CGEDMO Cc1ccc(CN2CC[C@H](C[N@@H+](C)CCCC#N)C2)s1 ZINC000568566634 377519469 /nfs/dbraw/zinc/51/94/69/377519469.db2.gz UPYTZPWAOIBHOM-OAHLLOKOSA-N 1 1 291.464 3.114 20 30 CGEDMO C[N@@H+](CCCNCc1cc(C#N)cs1)C1CCCCC1 ZINC000093492234 249037427 /nfs/dbraw/zinc/03/74/27/249037427.db2.gz XWFBZCYBWABSPF-UHFFFAOYSA-N 1 1 291.464 3.364 20 30 CGEDMO C=CC[N@@H+](C/C=C\c1ccc(F)c(F)c1)CCOC ZINC000568243045 377516046 /nfs/dbraw/zinc/51/60/46/377516046.db2.gz HMENBHPGBFTTSN-PLNGDYQASA-N 1 1 267.319 3.112 20 30 CGEDMO N#Cc1ccc(CNC[C@H]2CCC[N@H+]2C2CCCCC2)o1 ZINC000280652079 249069280 /nfs/dbraw/zinc/06/92/80/249069280.db2.gz OGSWPQBITOHOSU-OAHLLOKOSA-N 1 1 287.407 3.038 20 30 CGEDMO CCOC[C@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000313481013 249092534 /nfs/dbraw/zinc/09/25/34/249092534.db2.gz HQKPOXZBPGZUDK-OAHLLOKOSA-N 1 1 276.355 3.088 20 30 CGEDMO CC(C)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000515852123 249222192 /nfs/dbraw/zinc/22/21/92/249222192.db2.gz ORPVSELBPXTUPQ-AWEZNQCLSA-N 1 1 273.336 3.087 20 30 CGEDMO CO[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CC[C@@H]1C ZINC000251531357 377586707 /nfs/dbraw/zinc/58/67/07/377586707.db2.gz DEXPWRHBGUIXHO-WMLDXEAASA-N 1 1 286.419 3.345 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1Cc2ccccc2C[C@H]1CC ZINC000342354943 377642463 /nfs/dbraw/zinc/64/24/63/377642463.db2.gz NIETYKORTHQEJY-IAGOWNOFSA-N 1 1 259.393 3.150 20 30 CGEDMO CCCCCCC[N@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000252801732 377663875 /nfs/dbraw/zinc/66/38/75/377663875.db2.gz HBOSSAFWGWMGNB-BZUAXINKSA-N 1 1 269.429 3.225 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000253104226 377677648 /nfs/dbraw/zinc/67/76/48/377677648.db2.gz ZGNQQGJWCJQSLK-KZNAEPCWSA-N 1 1 284.403 3.074 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000342727622 377758541 /nfs/dbraw/zinc/75/85/41/377758541.db2.gz VPNVXPIOTHNMGW-CABCVRRESA-N 1 1 274.408 3.069 20 30 CGEDMO C=CCC[N@H+](C)Cc1ncc(-c2ccc(OC)cc2)o1 ZINC000342739535 377766700 /nfs/dbraw/zinc/76/67/00/377766700.db2.gz OLUKTMUOGOEBCT-UHFFFAOYSA-N 1 1 272.348 3.358 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)c1nnc(-c2ccccc2)o1 ZINC000342740318 377769024 /nfs/dbraw/zinc/76/90/24/377769024.db2.gz SOKXGBFDFKVDIH-GFCCVEGCSA-N 1 1 257.337 3.306 20 30 CGEDMO Cc1cc(SCCCc2c[nH+]cn2C)ccc1C#N ZINC000575332129 377879414 /nfs/dbraw/zinc/87/94/14/377879414.db2.gz OPIQAQJDIOGROK-UHFFFAOYSA-N 1 1 271.389 3.325 20 30 CGEDMO C[N@H+](CCC(C)(C)C#N)Cc1ccc(F)cc1F ZINC000266050503 378013178 /nfs/dbraw/zinc/01/31/78/378013178.db2.gz XBSLODPCUMQJAO-UHFFFAOYSA-N 1 1 252.308 3.336 20 30 CGEDMO C[N@@H+](CCC(C)(C)C#N)Cc1ccc(F)cc1F ZINC000266050503 378013184 /nfs/dbraw/zinc/01/31/84/378013184.db2.gz XBSLODPCUMQJAO-UHFFFAOYSA-N 1 1 252.308 3.336 20 30 CGEDMO N#CCc1ccc(C[N@@H+]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000343617852 378043258 /nfs/dbraw/zinc/04/32/58/378043258.db2.gz UHRSJCKCEVCADY-MRXNPFEDSA-N 1 1 298.411 3.388 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000343617852 378043263 /nfs/dbraw/zinc/04/32/63/378043263.db2.gz UHRSJCKCEVCADY-MRXNPFEDSA-N 1 1 298.411 3.388 20 30 CGEDMO N#CCSCCC[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000268012560 378048016 /nfs/dbraw/zinc/04/80/16/378048016.db2.gz GXRNTUSPPGUTBJ-AWEZNQCLSA-N 1 1 278.396 3.262 20 30 CGEDMO Cc1noc(CCC[N@@H+](Cc2ccc(C#N)cc2)C(C)C)n1 ZINC000268642242 378084736 /nfs/dbraw/zinc/08/47/36/378084736.db2.gz HPGKLGWOEPYHPQ-UHFFFAOYSA-N 1 1 298.390 3.093 20 30 CGEDMO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000266543868 378022830 /nfs/dbraw/zinc/02/28/30/378022830.db2.gz IZMMXDSIUGMWKZ-ZIAGYGMSSA-N 1 1 258.365 3.209 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@@H](C(C)(C)C)C[C@@H]1C ZINC000578902638 378112607 /nfs/dbraw/zinc/11/26/07/378112607.db2.gz UCBXBMVYZKBLPY-ZNMIVQPWSA-N 1 1 253.430 3.460 20 30 CGEDMO CC[N@H+](C/C=C\c1ccc(F)c(F)c1)C[C@@H](C)C#N ZINC000578918702 378114325 /nfs/dbraw/zinc/11/43/25/378114325.db2.gz LBKCTOUXMOLBRY-RXNFCKPNSA-N 1 1 264.319 3.460 20 30 CGEDMO CC[N@@H+](C/C=C\c1ccc(F)c(F)c1)C[C@@H](C)C#N ZINC000578918702 378114327 /nfs/dbraw/zinc/11/43/27/378114327.db2.gz LBKCTOUXMOLBRY-RXNFCKPNSA-N 1 1 264.319 3.460 20 30 CGEDMO C[C@H]1CCC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000579114890 378131313 /nfs/dbraw/zinc/13/13/13/378131313.db2.gz GZBCOQOPCGKFMV-WFASDCNBSA-N 1 1 287.363 3.477 20 30 CGEDMO N#Cc1cccc(OCCC[N@H+]2CC[C@H](C3CC3)C2)c1 ZINC000344015813 378154305 /nfs/dbraw/zinc/15/43/05/378154305.db2.gz MMMWRBWADRXJNZ-INIZCTEOSA-N 1 1 270.376 3.059 20 30 CGEDMO CC[N@H+]1C[C@@H](C)N(c2cc(C#N)c3ccccc3n2)C[C@H]1C ZINC000345155533 378206605 /nfs/dbraw/zinc/20/66/05/378206605.db2.gz XIKXQCXHYYTSOI-ZIAGYGMSSA-N 1 1 294.402 3.025 20 30 CGEDMO C=CC[C@@H]1[N@H+](CCOC[C@H]2CCCO2)CCCC1(C)C ZINC000579914234 378207193 /nfs/dbraw/zinc/20/71/93/378207193.db2.gz LSVPVJOLKFNZFW-CVEARBPZSA-N 1 1 281.440 3.249 20 30 CGEDMO CC(C)[N@@H+]1CCCC[C@H]1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000344295915 378166329 /nfs/dbraw/zinc/16/63/29/378166329.db2.gz KNVGQEPRRRHTNH-YJBOKZPZSA-N 1 1 285.435 3.472 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@H]1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000344295915 378166331 /nfs/dbraw/zinc/16/63/31/378166331.db2.gz KNVGQEPRRRHTNH-YJBOKZPZSA-N 1 1 285.435 3.472 20 30 CGEDMO CN1CC[N@H+](Cc2ccc(F)c(C#N)c2)Cc2ccccc21 ZINC000344364727 378168041 /nfs/dbraw/zinc/16/80/41/378168041.db2.gz CRTKLNCRZPSXBB-UHFFFAOYSA-N 1 1 295.361 3.149 20 30 CGEDMO CN1CC[N@@H+](Cc2ccc(F)c(C#N)c2)Cc2ccccc21 ZINC000344364727 378168045 /nfs/dbraw/zinc/16/80/45/378168045.db2.gz CRTKLNCRZPSXBB-UHFFFAOYSA-N 1 1 295.361 3.149 20 30 CGEDMO CCC[N@@H+](CC)C[C@H](C)N[C@H](C)c1ccc(C#N)cc1F ZINC000579651539 378179983 /nfs/dbraw/zinc/17/99/83/378179983.db2.gz LUODHUKKLIHIJJ-UONOGXRCSA-N 1 1 291.414 3.468 20 30 CGEDMO C=CCCN1CC[N@@H+](CCC=C)[C@H]([C@H](C)CC)C1 ZINC000269930960 378284021 /nfs/dbraw/zinc/28/40/21/378284021.db2.gz HJVCHKFIMYRJSI-CVEARBPZSA-N 1 1 250.430 3.171 20 30 CGEDMO C=CCCN1CC[N@@H+](CCC=C)C[C@H]1[C@H](C)CC ZINC000269930960 378284025 /nfs/dbraw/zinc/28/40/25/378284025.db2.gz HJVCHKFIMYRJSI-CVEARBPZSA-N 1 1 250.430 3.171 20 30 CGEDMO C=CCCN1CC[N@H+](CCC=C)C[C@H]1[C@H](C)CC ZINC000269930960 378284027 /nfs/dbraw/zinc/28/40/27/378284027.db2.gz HJVCHKFIMYRJSI-CVEARBPZSA-N 1 1 250.430 3.171 20 30 CGEDMO CC[N@@H+]1C[C@@H](C)N(CC#Cc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000580258930 378235827 /nfs/dbraw/zinc/23/58/27/378235827.db2.gz OUOKVLXJRWKIJT-GASCZTMLSA-N 1 1 290.838 3.106 20 30 CGEDMO N#CCCC1CC[NH+](Cc2ccc(Cl)cn2)CC1 ZINC000583628533 378335813 /nfs/dbraw/zinc/33/58/13/378335813.db2.gz IJKOLBUKSQORGK-UHFFFAOYSA-N 1 1 263.772 3.251 20 30 CGEDMO CC#CC[NH2+][C@H](C)c1nc2ccccc2n1C(F)F ZINC000270572044 378370047 /nfs/dbraw/zinc/37/00/47/378370047.db2.gz NJONISFCIGPRIL-SNVBAGLBSA-N 1 1 263.291 3.105 20 30 CGEDMO C[C@@H](c1ccccn1)[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000271063867 378446113 /nfs/dbraw/zinc/44/61/13/378446113.db2.gz BYDHODOXWRQILN-AWEZNQCLSA-N 1 1 281.359 3.177 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)o1 ZINC000271168794 378469047 /nfs/dbraw/zinc/46/90/47/378469047.db2.gz OUVPUHOCWWUSOS-CYBMUJFWSA-N 1 1 270.307 3.280 20 30 CGEDMO C=CCOCCC[N@H+]1CCc2cc(OCC)ccc2C1 ZINC000348024927 378756778 /nfs/dbraw/zinc/75/67/78/378756778.db2.gz BEBIQMHMTXJOIO-UHFFFAOYSA-N 1 1 275.392 3.036 20 30 CGEDMO C=CCOCCC[N@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000348038471 378762142 /nfs/dbraw/zinc/76/21/42/378762142.db2.gz SMDYGNMCLWXJAV-INIZCTEOSA-N 1 1 299.418 3.093 20 30 CGEDMO C=CCOCCC[N@H+]1CCc2c(F)cc(F)cc2[C@@H]1C ZINC000348062044 378773027 /nfs/dbraw/zinc/77/30/27/378773027.db2.gz ZWPSFGUFFKHOQS-LBPRGKRZSA-N 1 1 281.346 3.477 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCCC3(CCC3)C2)c1 ZINC000348177728 378823892 /nfs/dbraw/zinc/82/38/92/378823892.db2.gz HESSDNIPZLHTBR-UHFFFAOYSA-N 1 1 258.340 3.463 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)cc1C#N ZINC000348221957 378845093 /nfs/dbraw/zinc/84/50/93/378845093.db2.gz BZNXSZNTHQFYBH-GXFFZTMASA-N 1 1 298.308 3.340 20 30 CGEDMO C=CCN1CC[C@@H]([N@@H+](C)CCCC2CCCCC2)C1=O ZINC000348282963 378884019 /nfs/dbraw/zinc/88/40/19/378884019.db2.gz BCIUPGCVZMDAJE-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000274725122 378884277 /nfs/dbraw/zinc/88/42/77/378884277.db2.gz AIUAHGLHLBIRFM-UHFFFAOYSA-N 1 1 283.419 3.032 20 30 CGEDMO C=C(C)CC[N@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000274865442 378909231 /nfs/dbraw/zinc/90/92/31/378909231.db2.gz VQFZCGXRPLMQAS-UHFFFAOYSA-N 1 1 267.376 3.197 20 30 CGEDMO C[C@]1(CCCO)CCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000274877866 378911643 /nfs/dbraw/zinc/91/16/43/378911643.db2.gz YWKKYUIFVREJRF-MRXNPFEDSA-N 1 1 292.810 3.339 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000278565014 194046782 /nfs/dbraw/zinc/04/67/82/194046782.db2.gz VXZJBFJYNKMVLU-CQSZACIVSA-N 1 1 262.401 3.039 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000278565014 194046784 /nfs/dbraw/zinc/04/67/84/194046784.db2.gz VXZJBFJYNKMVLU-CQSZACIVSA-N 1 1 262.401 3.039 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000278565014 194046787 /nfs/dbraw/zinc/04/67/87/194046787.db2.gz VXZJBFJYNKMVLU-CQSZACIVSA-N 1 1 262.401 3.039 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000278565014 194046790 /nfs/dbraw/zinc/04/67/90/194046790.db2.gz VXZJBFJYNKMVLU-CQSZACIVSA-N 1 1 262.401 3.039 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000278565014 194046792 /nfs/dbraw/zinc/04/67/92/194046792.db2.gz VXZJBFJYNKMVLU-CQSZACIVSA-N 1 1 262.401 3.039 20 30 CGEDMO N#Cc1ccc(OCC[N@H+]2CC[C@@H]2c2ccccc2)cc1 ZINC000348527497 378977442 /nfs/dbraw/zinc/97/74/42/378977442.db2.gz SBLKDFZRGDDYIY-GOSISDBHSA-N 1 1 278.355 3.384 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1c1nc(C(=O)OCC)cs1 ZINC000276742196 378990288 /nfs/dbraw/zinc/99/02/88/378990288.db2.gz GFLJKQFCNMYIIA-CYBMUJFWSA-N 1 1 294.420 3.423 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1c1nc(C(=O)OCC)cs1 ZINC000276742196 378990294 /nfs/dbraw/zinc/99/02/94/378990294.db2.gz GFLJKQFCNMYIIA-CYBMUJFWSA-N 1 1 294.420 3.423 20 30 CGEDMO C[N@@H+](CC#Cc1ccccc1)[C@@H](CCO)c1ccccc1 ZINC000276801696 379000318 /nfs/dbraw/zinc/00/03/18/379000318.db2.gz MNUQNHFPWISVEB-IBGZPJMESA-N 1 1 279.383 3.094 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@H]2C2CC2)cc1 ZINC000371420284 379163154 /nfs/dbraw/zinc/16/31/54/379163154.db2.gz VCWLOORJXDGTRT-SFHVURJKSA-N 1 1 283.419 3.411 20 30 CGEDMO C[C@@H]([NH2+][C@H](CO)c1ccsc1)c1ccc(C#N)cc1F ZINC000349418151 379277970 /nfs/dbraw/zinc/27/79/70/379277970.db2.gz AQBQRWTWLTUHAV-MEBBXXQBSA-N 1 1 290.363 3.143 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2cn3ccccc3c2C#N)C[C@H]1C ZINC000347588841 218282558 /nfs/dbraw/zinc/28/25/58/218282558.db2.gz XDWGWAFZVVWLKB-UONOGXRCSA-N 1 1 267.376 3.289 20 30 CGEDMO Cn1cc(C[N@H+]2CC[C@](C)(c3ccc(F)cc3)C2)cc1C#N ZINC000373609646 379307328 /nfs/dbraw/zinc/30/73/28/379307328.db2.gz LSXSXXQCYNULFX-SFHVURJKSA-N 1 1 297.377 3.199 20 30 CGEDMO C[C@]1(c2ccc(F)cc2)CC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000373614211 379307732 /nfs/dbraw/zinc/30/77/32/379307732.db2.gz WTLGCDMZFAWQRG-KRWDZBQOSA-N 1 1 284.334 3.454 20 30 CGEDMO CC(C)(C)[C@H]1CC[N@@H+](CC(C)(C)CCC#N)C[C@H]1O ZINC000350008454 379476542 /nfs/dbraw/zinc/47/65/42/379476542.db2.gz NVYAFOPFXUGXOO-UONOGXRCSA-N 1 1 266.429 3.045 20 30 CGEDMO Cc1cc(C#N)cc(N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)n1 ZINC000376401288 379550549 /nfs/dbraw/zinc/55/05/49/379550549.db2.gz AAPDNMJVJBXLKP-WMZOPIPTSA-N 1 1 292.386 3.119 20 30 CGEDMO C=CCC[C@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1ccco1 ZINC000375812002 379511118 /nfs/dbraw/zinc/51/11/18/379511118.db2.gz XINGTSPAJRQWKB-KBPBESRZSA-N 1 1 271.364 3.157 20 30 CGEDMO C#CC[N@@H+](CC)[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000266899910 190288870 /nfs/dbraw/zinc/28/88/70/190288870.db2.gz GBFCFTMPCLBVID-ZDUSSCGKSA-N 1 1 254.333 3.358 20 30 CGEDMO C#CC[N@H+](CC)[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000266899910 190288871 /nfs/dbraw/zinc/28/88/71/190288871.db2.gz GBFCFTMPCLBVID-ZDUSSCGKSA-N 1 1 254.333 3.358 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)nnn2C ZINC000351582770 379728807 /nfs/dbraw/zinc/72/88/07/379728807.db2.gz NPBMBRVQGFTEHX-UHFFFAOYSA-N 1 1 292.386 3.157 20 30 CGEDMO Cc1sc(NC(=O)C[N@H+](C)CC(C)(C)C)c(C#N)c1C ZINC000267345525 190322712 /nfs/dbraw/zinc/32/27/12/190322712.db2.gz DOBJSGHABIORED-UHFFFAOYSA-N 1 1 293.436 3.153 20 30 CGEDMO C=CC[N@H+](CC[C@@H](C)F)Cc1cccc([N+](=O)[O-])c1 ZINC000351854401 379746476 /nfs/dbraw/zinc/74/64/76/379746476.db2.gz GPOUVQFHSMAREL-GFCCVEGCSA-N 1 1 266.316 3.331 20 30 CGEDMO C=CCOCCC[N@H+]1CCCC[C@H]1c1nnc(C(C)C)[nH]1 ZINC000351956218 379748585 /nfs/dbraw/zinc/74/85/85/379748585.db2.gz GGCRHMAKOHVZOY-AWEZNQCLSA-N 1 1 292.427 3.048 20 30 CGEDMO C=CCOCCC[N@@H+]1CCCC[C@H]1c1nnc(C(C)C)[nH]1 ZINC000351956218 379748596 /nfs/dbraw/zinc/74/85/96/379748596.db2.gz GGCRHMAKOHVZOY-AWEZNQCLSA-N 1 1 292.427 3.048 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000352481249 379832363 /nfs/dbraw/zinc/83/23/63/379832363.db2.gz LXWLSDVARMSNOH-KYHPRHEASA-N 1 1 292.467 3.453 20 30 CGEDMO Cc1cccc(C)c1OCC[NH+]1CCC(F)(C#N)CC1 ZINC000352485576 379833859 /nfs/dbraw/zinc/83/38/59/379833859.db2.gz ZXMMGPPKIUHCRR-UHFFFAOYSA-N 1 1 276.355 3.010 20 30 CGEDMO C#CCCCC(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000281184673 379821164 /nfs/dbraw/zinc/82/11/64/379821164.db2.gz CINAAFFOGNVJJY-UHFFFAOYSA-N 1 1 278.783 3.144 20 30 CGEDMO CC(C)[C@@H]1CCCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000395781290 379922111 /nfs/dbraw/zinc/92/21/11/379922111.db2.gz MJGLHRQZAHAXDJ-KRWDZBQOSA-N 1 1 272.392 3.448 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1cccc(C#N)c1 ZINC000389932038 379904586 /nfs/dbraw/zinc/90/45/86/379904586.db2.gz LJMMRBGVCGNBTR-HNAYVOBHSA-N 1 1 291.398 3.491 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000352792542 379963974 /nfs/dbraw/zinc/96/39/74/379963974.db2.gz MGROGHCSWIIVTN-JYJNAYRXSA-N 1 1 250.430 3.290 20 30 CGEDMO Cc1ccc([C@@H](C)[NH2+]Cc2nc(C#N)cs2)c(C)c1 ZINC000352821118 379980918 /nfs/dbraw/zinc/98/09/18/379980918.db2.gz GDBVMWRYHMBNRD-GFCCVEGCSA-N 1 1 271.389 3.482 20 30 CGEDMO CSC[C@H]1CCC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000399129992 379935175 /nfs/dbraw/zinc/93/51/75/379935175.db2.gz WGRGBFYDQWWWIM-INIZCTEOSA-N 1 1 274.433 3.328 20 30 CGEDMO C[C@H]1C[N@@H+](CC2(CC#N)CC2)CCc2ccccc21 ZINC000404719143 379982363 /nfs/dbraw/zinc/98/23/63/379982363.db2.gz SOFUOLOBGRHJRH-AWEZNQCLSA-N 1 1 254.377 3.342 20 30 CGEDMO C=C(C)C[N@@H+](CCC(C)(C)C#N)Cc1ccc(CO)o1 ZINC000352893122 380022568 /nfs/dbraw/zinc/02/25/68/380022568.db2.gz MMCLZSREOBMMDN-UHFFFAOYSA-N 1 1 276.380 3.090 20 30 CGEDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1cc(C#N)ccn1 ZINC000283443579 380063796 /nfs/dbraw/zinc/06/37/96/380063796.db2.gz DCOWFCBJWCTDAS-UHFFFAOYSA-N 1 1 294.402 3.406 20 30 CGEDMO C[C@H]1C[C@H](Nc2ccc(C#N)cn2)C[N@H+]1Cc1ccccc1 ZINC000268117796 190378031 /nfs/dbraw/zinc/37/80/31/190378031.db2.gz FFWQOAKVNKPKEE-YOEHRIQHSA-N 1 1 292.386 3.028 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268151824 190381273 /nfs/dbraw/zinc/38/12/73/190381273.db2.gz KZZDTBMNLWEFLV-SFHVURJKSA-N 1 1 298.430 3.146 20 30 CGEDMO C=CCOc1cccc(CNC[C@H]2CCC[N@H+]2CCC)c1 ZINC000353124843 380127118 /nfs/dbraw/zinc/12/71/18/380127118.db2.gz KKLLJNKNVKFQCT-QGZVFWFLSA-N 1 1 288.435 3.215 20 30 CGEDMO C=CCOc1cccc(CNC[C@H]2CCC[N@@H+]2CCC)c1 ZINC000353124843 380127120 /nfs/dbraw/zinc/12/71/20/380127120.db2.gz KKLLJNKNVKFQCT-QGZVFWFLSA-N 1 1 288.435 3.215 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)N[C@@H](C)CCC ZINC000411142442 380131221 /nfs/dbraw/zinc/13/12/21/380131221.db2.gz WQYDTKXXZFILDU-UONOGXRCSA-N 1 1 294.464 3.429 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)N[C@@H](C)CCC ZINC000411142442 380131229 /nfs/dbraw/zinc/13/12/29/380131229.db2.gz WQYDTKXXZFILDU-UONOGXRCSA-N 1 1 294.464 3.429 20 30 CGEDMO C=CC[N@H+](CCC1(O)CCC1)Cc1ccccc1F ZINC000411186112 380134133 /nfs/dbraw/zinc/13/41/33/380134133.db2.gz IWQVVHIKEAWUDB-UHFFFAOYSA-N 1 1 263.356 3.119 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1ccc2n[nH]cc2c1 ZINC000353169206 380151808 /nfs/dbraw/zinc/15/18/08/380151808.db2.gz FALRTOMNUDEKBJ-LLVKDONJSA-N 1 1 294.333 3.424 20 30 CGEDMO CC[N@@H+](CCC1(C#N)CCCCC1)C[C@H](O)C(F)(F)F ZINC000411565167 380151989 /nfs/dbraw/zinc/15/19/89/380151989.db2.gz HMGXLRIMANXUTL-LBPRGKRZSA-N 1 1 292.345 3.096 20 30 CGEDMO Cc1nn(C)cc1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000353954249 380252363 /nfs/dbraw/zinc/25/23/63/380252363.db2.gz JQLZMLVUSDUSMM-QZTJIDSGSA-N 1 1 294.402 3.000 20 30 CGEDMO Cc1nn(C)cc1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000353954249 380252367 /nfs/dbraw/zinc/25/23/67/380252367.db2.gz JQLZMLVUSDUSMM-QZTJIDSGSA-N 1 1 294.402 3.000 20 30 CGEDMO CCC[N@@H+]1CCC[C@H]1CN[C@@H](C)c1cccc(C#N)c1 ZINC000353972747 380259639 /nfs/dbraw/zinc/25/96/39/380259639.db2.gz OPGCLECPEGMAIW-YOEHRIQHSA-N 1 1 271.408 3.083 20 30 CGEDMO CCC[N@H+]1CCC[C@H]1CN[C@@H](C)c1cccc(C#N)c1 ZINC000353972747 380259643 /nfs/dbraw/zinc/25/96/43/380259643.db2.gz OPGCLECPEGMAIW-YOEHRIQHSA-N 1 1 271.408 3.083 20 30 CGEDMO C=CCCOCC(=O)Nc1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC000643323373 380276555 /nfs/dbraw/zinc/27/65/55/380276555.db2.gz VYYKAZZXXPYECW-UHFFFAOYSA-N 1 1 299.374 3.020 20 30 CGEDMO C[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)CC(C)(C)C#N ZINC000354017427 380279930 /nfs/dbraw/zinc/27/99/30/380279930.db2.gz JVTCMPGJOSOPRU-UHFFFAOYSA-N 1 1 286.354 3.197 20 30 CGEDMO C[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)CC(C)(C)C#N ZINC000354017427 380279938 /nfs/dbraw/zinc/27/99/38/380279938.db2.gz JVTCMPGJOSOPRU-UHFFFAOYSA-N 1 1 286.354 3.197 20 30 CGEDMO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(F)cc2C#N)C1(C)C ZINC000354471356 380451422 /nfs/dbraw/zinc/45/14/22/380451422.db2.gz ZIRLJGGNSLJURQ-CVEARBPZSA-N 1 1 290.382 3.333 20 30 CGEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)cc2C#N)C1(C)C ZINC000354471356 380451428 /nfs/dbraw/zinc/45/14/28/380451428.db2.gz ZIRLJGGNSLJURQ-CVEARBPZSA-N 1 1 290.382 3.333 20 30 CGEDMO CC[N@@H+](Cc1cc(C)nn1C)[C@H](C)c1ccc(C#N)cc1 ZINC000417721052 380669976 /nfs/dbraw/zinc/66/99/76/380669976.db2.gz SWRQOWFYRDQSSC-CQSZACIVSA-N 1 1 282.391 3.183 20 30 CGEDMO CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1cccc(C#N)c1F ZINC000355745827 380767363 /nfs/dbraw/zinc/76/73/63/380767363.db2.gz MRHICAGSEGGHAA-QGZVFWFLSA-N 1 1 290.382 3.070 20 30 CGEDMO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](CCC(C)(C)C#N)C1 ZINC000421024314 380871586 /nfs/dbraw/zinc/87/15/86/380871586.db2.gz PXKPZXWMUVYVBQ-UONOGXRCSA-N 1 1 294.439 3.226 20 30 CGEDMO CCn1nc(C[NH2+]Cc2ccc(C#N)s2)c2ccccc21 ZINC000421350069 380888736 /nfs/dbraw/zinc/88/87/36/380888736.db2.gz KJYBWDKOPUEADX-UHFFFAOYSA-N 1 1 296.399 3.279 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000279274124 194363508 /nfs/dbraw/zinc/36/35/08/194363508.db2.gz JLRPNSRPHBQYIF-PBFPGSCMSA-N 1 1 270.376 3.119 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(F)c2cccnc12 ZINC000358284049 381299939 /nfs/dbraw/zinc/29/99/39/381299939.db2.gz GGYUELKYMCCVOD-LBPRGKRZSA-N 1 1 257.312 3.156 20 30 CGEDMO CCC(C)(C)[N@@H+](C)Cc1cn2ccccc2c1C#N ZINC000357748681 381276070 /nfs/dbraw/zinc/27/60/70/381276070.db2.gz CWHFKASJOFPAMZ-UHFFFAOYSA-N 1 1 255.365 3.431 20 30 CGEDMO C=C(CC)C[N@H+](CC)[C@@H]1CCN(c2ccccc2)C1=O ZINC000358485580 381311780 /nfs/dbraw/zinc/31/17/80/381311780.db2.gz CFZHVFZXKPRIKL-MRXNPFEDSA-N 1 1 272.392 3.080 20 30 CGEDMO COCC1(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)CCC1 ZINC000361291412 381680333 /nfs/dbraw/zinc/68/03/33/381680333.db2.gz XNNIUOYWMPSTDR-UHFFFAOYSA-N 1 1 284.403 3.339 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)CCCC1CCOCC1 ZINC000361465795 381758396 /nfs/dbraw/zinc/75/83/96/381758396.db2.gz OOMRFQUXKWQRCZ-UHFFFAOYSA-N 1 1 266.429 3.455 20 30 CGEDMO C[C@@H](CO)[N@H+](Cc1ccc(C#N)cc1Cl)CC1CCC1 ZINC000361492894 381772453 /nfs/dbraw/zinc/77/24/53/381772453.db2.gz NJGMAORPRRRHMB-LBPRGKRZSA-N 1 1 292.810 3.195 20 30 CGEDMO C[C@@H](CO)[N@@H+](CCCCC(C)(C)C#N)CC1CCC1 ZINC000361502474 381778016 /nfs/dbraw/zinc/77/80/16/381778016.db2.gz XCMNXAQEOVBPOH-AWEZNQCLSA-N 1 1 266.429 3.189 20 30 CGEDMO Cc1ccc2c(c1)C[N@H+](CCOc1cccc(C#N)c1)C2 ZINC000361604596 381833694 /nfs/dbraw/zinc/83/36/94/381833694.db2.gz ULCLHBNKZPUBRN-UHFFFAOYSA-N 1 1 278.355 3.261 20 30 CGEDMO COC1(C[N@@H+](CCC#N)CC(C)(C)C)CCCC1 ZINC000361566484 381808322 /nfs/dbraw/zinc/80/83/22/381808322.db2.gz QTPUDLYQELYGQM-UHFFFAOYSA-N 1 1 252.402 3.207 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cccn1CCC(C)C ZINC000361645464 381855263 /nfs/dbraw/zinc/85/52/63/381855263.db2.gz CYYBEZXEIITUDJ-UHFFFAOYSA-N 1 1 264.413 3.169 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000361648888 381859005 /nfs/dbraw/zinc/85/90/05/381859005.db2.gz VINUEFSLZJZICU-ARFHVFGLSA-N 1 1 267.413 3.001 20 30 CGEDMO COc1ccc(OCC[N@H+](CCC#N)CCC(C)C)cc1 ZINC000362189721 381905085 /nfs/dbraw/zinc/90/50/85/381905085.db2.gz YBLPWRQEVAZRPP-UHFFFAOYSA-N 1 1 290.407 3.336 20 30 CGEDMO COc1ccc(OCC[N@@H+](CCC#N)CCC(C)C)cc1 ZINC000362189721 381905091 /nfs/dbraw/zinc/90/50/91/381905091.db2.gz YBLPWRQEVAZRPP-UHFFFAOYSA-N 1 1 290.407 3.336 20 30 CGEDMO COCC[N@@H+](Cc1ccc(F)cc1C#N)[C@@H]1CC[C@@H](C)C1 ZINC000362144604 381888341 /nfs/dbraw/zinc/88/83/41/381888341.db2.gz RDTBXZKEYHSPCF-CXAGYDPISA-N 1 1 290.382 3.334 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@](C)(CCC)C1 ZINC000362433859 381989049 /nfs/dbraw/zinc/98/90/49/381989049.db2.gz IMAWKZXXGYGTOU-QGZVFWFLSA-N 1 1 278.440 3.089 20 30 CGEDMO N#Cc1cc(F)ccc1C[NH+]1CCC(c2ccccn2)CC1 ZINC000363445868 382220322 /nfs/dbraw/zinc/22/03/22/382220322.db2.gz CQXNEAUHLFTDNI-UHFFFAOYSA-N 1 1 295.361 3.472 20 30 CGEDMO COC[C@H]1CCCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000365461616 382287384 /nfs/dbraw/zinc/28/73/84/382287384.db2.gz MIOZOKYQVQUXRM-HNNXBMFYSA-N 1 1 266.429 3.455 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)c(F)c1 ZINC000335368928 208295475 /nfs/dbraw/zinc/29/54/75/208295475.db2.gz PKYVAMHDWBKEBS-WBVHZDCISA-N 1 1 288.366 3.088 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)cc1F ZINC000335380747 208321929 /nfs/dbraw/zinc/32/19/29/208321929.db2.gz QGHTUERCADQKGY-NVXWUHKLSA-N 1 1 288.366 3.088 20 30 CGEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000289358481 197309587 /nfs/dbraw/zinc/30/95/87/197309587.db2.gz HBDNLXROSJMGHB-MRXNPFEDSA-N 1 1 297.402 3.009 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)[C@@H]1CCCC[C@H]1O ZINC000344606213 542503891 /nfs/dbraw/zinc/50/38/91/542503891.db2.gz PHFFJMRKYSAQIZ-ZIAGYGMSSA-N 1 1 251.395 3.040 20 30 CGEDMO C[C@H](CC#N)[N@H+](C)CC[C@H](C)OCc1ccccc1 ZINC000354850457 533602238 /nfs/dbraw/zinc/60/22/38/533602238.db2.gz MEFFOTVCZOLBIO-CABCVRRESA-N 1 1 260.381 3.216 20 30 CGEDMO C[C@@H](CC#N)[N@H+](C)Cc1cccc(-c2ccccn2)c1 ZINC000093090894 392234174 /nfs/dbraw/zinc/23/41/74/392234174.db2.gz HQPWXOIAAVQCPJ-AWEZNQCLSA-N 1 1 265.360 3.483 20 30 CGEDMO C[C@@H](CC#N)[N@@H+](C)Cc1cccc(-c2ccccn2)c1 ZINC000093090894 392234179 /nfs/dbraw/zinc/23/41/79/392234179.db2.gz HQPWXOIAAVQCPJ-AWEZNQCLSA-N 1 1 265.360 3.483 20 30 CGEDMO C=CC[N@H+](CCc1cscn1)Cc1ccc(OC)cc1 ZINC000284390816 392312328 /nfs/dbraw/zinc/31/23/28/392312328.db2.gz VRELHIVQGVYQDP-UHFFFAOYSA-N 1 1 288.416 3.382 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)cc1 ZINC000285224673 392319769 /nfs/dbraw/zinc/31/97/69/392319769.db2.gz RXGPWBXEWPSXLH-RBUKOAKNSA-N 1 1 299.414 3.232 20 30 CGEDMO Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C)c(C#N)c1C ZINC000263718893 131315899 /nfs/dbraw/zinc/31/58/99/131315899.db2.gz AVIXGUSGKJTTAE-LLVKDONJSA-N 1 1 291.395 3.073 20 30 CGEDMO C[N@@H+](CCOc1ccc(F)cc1)CC(C)(C)CCC#N ZINC000121483501 392412690 /nfs/dbraw/zinc/41/26/90/392412690.db2.gz FWHTUUTWXZXVEZ-UHFFFAOYSA-N 1 1 278.371 3.466 20 30 CGEDMO COc1ccc(C[N@@H+](C)CC2CC2)cc1OCCCC#N ZINC000122944747 392425513 /nfs/dbraw/zinc/42/55/13/392425513.db2.gz BQDDNNFMTIKUFB-UHFFFAOYSA-N 1 1 288.391 3.220 20 30 CGEDMO N#CCC[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000123932562 392432464 /nfs/dbraw/zinc/43/24/64/392432464.db2.gz AIDNLOBYIWJKJK-IAGOWNOFSA-N 1 1 272.392 3.268 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)C[C@@H](C)c2nccs2)cc1 ZINC000290331813 392444763 /nfs/dbraw/zinc/44/47/63/392444763.db2.gz KIVZRQCFFNJMPK-CYBMUJFWSA-N 1 1 270.401 3.360 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)C[C@H](C)c2nccs2)cc1 ZINC000290331822 392445409 /nfs/dbraw/zinc/44/54/09/392445409.db2.gz KIVZRQCFFNJMPK-ZDUSSCGKSA-N 1 1 270.401 3.360 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)N1CCCC[C@H]1CC ZINC000121147318 392408826 /nfs/dbraw/zinc/40/88/26/392408826.db2.gz HJJFCGLVQDRZNF-LSDHHAIUSA-N 1 1 266.429 3.064 20 30 CGEDMO CC#CCC[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000155195454 392539954 /nfs/dbraw/zinc/53/99/54/392539954.db2.gz LVJHBRWETCPTGS-KRWDZBQOSA-N 1 1 257.377 3.081 20 30 CGEDMO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000372180550 392591793 /nfs/dbraw/zinc/59/17/93/392591793.db2.gz NOWIBOKSHMDVJO-SFHVURJKSA-N 1 1 297.377 3.056 20 30 CGEDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000372180550 392591798 /nfs/dbraw/zinc/59/17/98/392591798.db2.gz NOWIBOKSHMDVJO-SFHVURJKSA-N 1 1 297.377 3.056 20 30 CGEDMO N#CCC[N@@H+]1CCC[C@H]1Cc1ccc(Br)cc1 ZINC000372536622 392618639 /nfs/dbraw/zinc/61/86/39/392618639.db2.gz LCYBOBHMYIPKKI-AWEZNQCLSA-N 1 1 293.208 3.370 20 30 CGEDMO CC#CCC[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000155976116 392545102 /nfs/dbraw/zinc/54/51/02/392545102.db2.gz QBUVTAICKSLXRU-IEBWSBKVSA-N 1 1 284.447 3.385 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000156533136 392547599 /nfs/dbraw/zinc/54/75/99/392547599.db2.gz YEXFYAGHHYLKCM-CQSZACIVSA-N 1 1 268.360 3.421 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000373914245 392664766 /nfs/dbraw/zinc/66/47/66/392664766.db2.gz VIJGLMHAUVTAHA-QXSJWSMHSA-N 1 1 251.414 3.214 20 30 CGEDMO CCc1ccc(C[NH2+]Cc2ccc(C#N)cc2F)o1 ZINC000177770855 392667626 /nfs/dbraw/zinc/66/76/26/392667626.db2.gz DVFYXPNZZCZNNC-UHFFFAOYSA-N 1 1 258.296 3.143 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000374176935 392670906 /nfs/dbraw/zinc/67/09/06/392670906.db2.gz WRWQMZZNUNGTIN-QKPAOTATSA-N 1 1 251.414 3.214 20 30 CGEDMO C=CCCCC(=O)N1CC[NH2+][C@H](c2ccc(CC)cc2)C1 ZINC000374344228 392675605 /nfs/dbraw/zinc/67/56/05/392675605.db2.gz CLYDIYZILDSGGX-KRWDZBQOSA-N 1 1 286.419 3.078 20 30 CGEDMO CO[C@@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000178527241 392680501 /nfs/dbraw/zinc/68/05/01/392680501.db2.gz JDTWGUNOUJMAAP-OAHLLOKOSA-N 1 1 272.392 3.099 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000302846605 392621876 /nfs/dbraw/zinc/62/18/76/392621876.db2.gz JLNSDDONKFJPHV-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO CCCCCCCC[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000372680269 392626355 /nfs/dbraw/zinc/62/63/55/392626355.db2.gz HLGOCWWSOYQAKZ-UHFFFAOYSA-N 1 1 264.417 3.345 20 30 CGEDMO C[N@@H+](CCCC(C)(C)C#N)[C@@H]1CCN(c2ccccc2)C1=O ZINC000174856697 392647148 /nfs/dbraw/zinc/64/71/48/392647148.db2.gz HIBZDZZADKWBLW-MRXNPFEDSA-N 1 1 299.418 3.054 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)NC[C@H](c1ccccc1)C(C)C ZINC000181291790 392725234 /nfs/dbraw/zinc/72/52/34/392725234.db2.gz VJFFWJKXDDIMBK-KRWDZBQOSA-N 1 1 288.435 3.050 20 30 CGEDMO C=CCc1cc(C[N@H+](C)[C@H](C)CC)cc(OC)c1O ZINC000179323500 392697947 /nfs/dbraw/zinc/69/79/47/392697947.db2.gz VBIIEOXISJQQAE-GFCCVEGCSA-N 1 1 263.381 3.360 20 30 CGEDMO COCC[N@H+](Cc1ccco1)Cc1ccc(C#N)cc1C ZINC000186168331 392778221 /nfs/dbraw/zinc/77/82/21/392778221.db2.gz UOEHWWILVFETHE-UHFFFAOYSA-N 1 1 284.359 3.108 20 30 CGEDMO COCC[N@@H+](Cc1ccco1)Cc1ccc(C#N)cc1C ZINC000186168331 392778225 /nfs/dbraw/zinc/77/82/25/392778225.db2.gz UOEHWWILVFETHE-UHFFFAOYSA-N 1 1 284.359 3.108 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+](Cc1ccccn1)C1CC1 ZINC000186316829 392782444 /nfs/dbraw/zinc/78/24/44/392782444.db2.gz FQJWMCLTYWRILU-UHFFFAOYSA-N 1 1 277.371 3.426 20 30 CGEDMO C[C@H](C#N)C[N@H+](CCO[C@H]1CCCC[C@H]1C)C1CC1 ZINC000338347635 392911021 /nfs/dbraw/zinc/91/10/21/392911021.db2.gz IWXUDCZEZGASEI-FMKPAKJESA-N 1 1 264.413 3.206 20 30 CGEDMO C[C@H](C#N)C[N@@H+](CCO[C@H]1CCCC[C@H]1C)C1CC1 ZINC000338347635 392911026 /nfs/dbraw/zinc/91/10/26/392911026.db2.gz IWXUDCZEZGASEI-FMKPAKJESA-N 1 1 264.413 3.206 20 30 CGEDMO CCOc1ccc2c(c1)CC[N@@H+]([C@@H]1CC[C@H](C#N)C1)C2 ZINC000336625674 392865797 /nfs/dbraw/zinc/86/57/97/392865797.db2.gz SCHQTFMVULIBOR-XJKSGUPXSA-N 1 1 270.376 3.136 20 30 CGEDMO CCC(CC)C[N@H+](CCC#N)CCO[C@H]1CCCCO1 ZINC000193061957 392868200 /nfs/dbraw/zinc/86/82/00/392868200.db2.gz SOMBGXNMYYXQRY-INIZCTEOSA-N 1 1 282.428 3.181 20 30 CGEDMO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000339078523 392944820 /nfs/dbraw/zinc/94/48/20/392944820.db2.gz DAJBXPMWTXSQOB-JCHJZTRSSA-N 1 1 297.446 3.179 20 30 CGEDMO CC(C)CC[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1CC1 ZINC000459294458 392939596 /nfs/dbraw/zinc/93/95/96/392939596.db2.gz GUWQBRUGPWIGEF-UHFFFAOYSA-N 1 1 287.363 3.477 20 30 CGEDMO CC(C)CC[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1CC1 ZINC000459294458 392939604 /nfs/dbraw/zinc/93/96/04/392939604.db2.gz GUWQBRUGPWIGEF-UHFFFAOYSA-N 1 1 287.363 3.477 20 30 CGEDMO CC(C)C[C@H]1CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459362946 392941588 /nfs/dbraw/zinc/94/15/88/392941588.db2.gz QTLNFRNKPCVCCT-CYBMUJFWSA-N 1 1 287.363 3.334 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CCCCC1 ZINC000648292909 392960875 /nfs/dbraw/zinc/96/08/75/392960875.db2.gz ABQFILXERKNKTQ-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO CC[C@@]1(CO)CCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411610919 392982600 /nfs/dbraw/zinc/98/26/00/392982600.db2.gz HBIGTDWBWWSSFW-INIZCTEOSA-N 1 1 264.413 3.087 20 30 CGEDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](CCC4(C#N)CCCCC4)[C@H]1[C@H]3C2 ZINC000411718572 392986209 /nfs/dbraw/zinc/98/62/09/392986209.db2.gz LPRDKUGZAFXFFV-QUSNUVHPSA-N 1 1 288.435 3.206 20 30 CGEDMO C[C@H]1C[C@H](N2CCCC2)C[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411720845 392986899 /nfs/dbraw/zinc/98/68/99/392986899.db2.gz QVHFQGNVYIGSOJ-IRXDYDNUSA-N 1 1 289.467 3.409 20 30 CGEDMO C[C@H]1C[C@H](N2CCCC2)C[N@H+]1CCC1(C#N)CCCCC1 ZINC000411720845 392986900 /nfs/dbraw/zinc/98/69/00/392986900.db2.gz QVHFQGNVYIGSOJ-IRXDYDNUSA-N 1 1 289.467 3.409 20 30 CGEDMO CC[N@@H+]1C[C@@H](C)N(CCC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000411723054 392987202 /nfs/dbraw/zinc/98/72/02/392987202.db2.gz RXDACKQUZOJPQX-IYBDPMFKSA-N 1 1 277.456 3.265 20 30 CGEDMO CCN1C[C@@H](C)[N@@H+](CCC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000411723054 392987207 /nfs/dbraw/zinc/98/72/07/392987207.db2.gz RXDACKQUZOJPQX-IYBDPMFKSA-N 1 1 277.456 3.265 20 30 CGEDMO CCN1C[C@@H](C)[N@H+](CCC2(C#N)CCCCC2)[C@@H](C)C1 ZINC000411723054 392987211 /nfs/dbraw/zinc/98/72/11/392987211.db2.gz RXDACKQUZOJPQX-IYBDPMFKSA-N 1 1 277.456 3.265 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2[nH]cnc2c1 ZINC000534336805 392998403 /nfs/dbraw/zinc/99/84/03/392998403.db2.gz BZAVREHVMUJYSA-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc2nc[nH]c2c1 ZINC000534336805 392998411 /nfs/dbraw/zinc/99/84/11/392998411.db2.gz BZAVREHVMUJYSA-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2nc[nH]c2c1 ZINC000534336805 392998416 /nfs/dbraw/zinc/99/84/16/392998416.db2.gz BZAVREHVMUJYSA-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO CC[N@H+](CC1(C#N)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000343145315 393019987 /nfs/dbraw/zinc/01/99/87/393019987.db2.gz VDGRDDLIGIAYBO-CYBMUJFWSA-N 1 1 253.349 3.245 20 30 CGEDMO CC[N@@H+](CC1(C#N)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000343145315 393019993 /nfs/dbraw/zinc/01/99/93/393019993.db2.gz VDGRDDLIGIAYBO-CYBMUJFWSA-N 1 1 253.349 3.245 20 30 CGEDMO CC(C)C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000466673849 393046704 /nfs/dbraw/zinc/04/67/04/393046704.db2.gz VEYGTLXRHIVXNH-KRWDZBQOSA-N 1 1 299.418 3.397 20 30 CGEDMO C=C(C)C[N@H+](CC[C@H]1CCOC1)Cc1cnn(C(C)C)c1 ZINC000348873112 393134166 /nfs/dbraw/zinc/13/41/66/393134166.db2.gz DUCQUBAKMCDFNW-INIZCTEOSA-N 1 1 291.439 3.269 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)C[C@@H](C)OC)cc1Cl ZINC000348847014 393134848 /nfs/dbraw/zinc/13/48/48/393134848.db2.gz HLCRWZBGKKRRCY-GFCCVEGCSA-N 1 1 283.799 3.372 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CCC[C@@H]2C2CCC2)cc1 ZINC000264580966 393160326 /nfs/dbraw/zinc/16/03/26/393160326.db2.gz VHBDRZULSDRRHK-QGZVFWFLSA-N 1 1 270.376 3.353 20 30 CGEDMO CCC[N@H+]1CCC[C@@H]1CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000353971654 393237285 /nfs/dbraw/zinc/23/72/85/393237285.db2.gz LJAADNIIYIZJCU-CZUORRHYSA-N 1 1 289.398 3.222 20 30 CGEDMO CCCN1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000353971654 393237290 /nfs/dbraw/zinc/23/72/90/393237290.db2.gz LJAADNIIYIZJCU-CZUORRHYSA-N 1 1 289.398 3.222 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)C[C@@H]1CCO[C@@H](C)C1 ZINC000352721406 393207909 /nfs/dbraw/zinc/20/79/09/393207909.db2.gz MEOSZFFOBDLINI-GOEBONIOSA-N 1 1 266.429 3.453 20 30 CGEDMO C=CCOc1cccc(CNC[C@@H](C)[NH+](CC)CC)c1 ZINC000355288447 393293592 /nfs/dbraw/zinc/29/35/92/393293592.db2.gz HXYZGWCMEHQVJO-OAHLLOKOSA-N 1 1 276.424 3.071 20 30 CGEDMO Cc1cc(NC(=O)c2cccc(C#N)c2C)cn2cc[nH+]c12 ZINC000355443398 393325058 /nfs/dbraw/zinc/32/50/58/393325058.db2.gz XLDSOHOEOVBERV-UHFFFAOYSA-N 1 1 290.326 3.075 20 30 CGEDMO CC(=O)c1ccc(C#N)c(N(C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000273198597 393273350 /nfs/dbraw/zinc/27/33/50/393273350.db2.gz KSPWWIXWQFZXCI-KRWDZBQOSA-N 1 1 299.418 3.071 20 30 CGEDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1cccnc1C#N ZINC000274135409 393280079 /nfs/dbraw/zinc/28/00/79/393280079.db2.gz WSKGHLBQFBFYOX-UHFFFAOYSA-N 1 1 294.402 3.406 20 30 CGEDMO COCCCC[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000419391918 393368453 /nfs/dbraw/zinc/36/84/53/393368453.db2.gz XPZSDNPDQBOFBA-UHFFFAOYSA-N 1 1 298.333 3.018 20 30 CGEDMO CC(C)(C)[C@H]1CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000475634471 393409923 /nfs/dbraw/zinc/40/99/23/393409923.db2.gz JNFONODNINWBMG-HNNXBMFYSA-N 1 1 296.418 3.464 20 30 CGEDMO C=CCC1(C(=O)N(C)CC[N@@H+](C)C2CCCCC2)CCC1 ZINC000359458890 393549369 /nfs/dbraw/zinc/54/93/69/393549369.db2.gz RLPMDNYWCOGHKN-UHFFFAOYSA-N 1 1 292.467 3.456 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)C1(C)CCCC1 ZINC000489871885 393618910 /nfs/dbraw/zinc/61/89/10/393618910.db2.gz DTGQCRRVUZJYCH-UHFFFAOYSA-N 1 1 285.391 3.151 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](CC)C[C@H](C)OC)c1 ZINC000361015437 393641341 /nfs/dbraw/zinc/64/13/41/393641341.db2.gz BJSZASRZNQMHNJ-AWEZNQCLSA-N 1 1 263.381 3.108 20 30 CGEDMO C[C@@H]1C[C@H](N[C@H]2CCCCc3cc(C#N)ccc32)CC[NH2+]1 ZINC000423393542 393665307 /nfs/dbraw/zinc/66/53/07/393665307.db2.gz YSHMJTJHBWBREA-QBIMZIAESA-N 1 1 283.419 3.056 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCc2ncsc2C1 ZINC000442892653 393740563 /nfs/dbraw/zinc/74/05/63/393740563.db2.gz QDFBONZFDGUUJK-LLVKDONJSA-N 1 1 269.373 3.134 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCc2ncsc2C1 ZINC000442892653 393740566 /nfs/dbraw/zinc/74/05/66/393740566.db2.gz QDFBONZFDGUUJK-LLVKDONJSA-N 1 1 269.373 3.134 20 30 CGEDMO C#C[C@H]([NH2+]Cc1ccn(C)c1)c1ccc(Cl)cc1 ZINC000491738420 393698493 /nfs/dbraw/zinc/69/84/93/393698493.db2.gz CKBOZLRAANPREU-HNNXBMFYSA-N 1 1 258.752 3.143 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)c(F)c1 ZINC000449535406 393887266 /nfs/dbraw/zinc/88/72/66/393887266.db2.gz HQPUMIFZNLGLHI-NVXWUHKLSA-N 1 1 270.351 3.318 20 30 CGEDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1ccc(C#N)cc1OC ZINC000501212157 393848699 /nfs/dbraw/zinc/84/86/99/393848699.db2.gz VJWYIGYWOIOQKG-DOMZBBRYSA-N 1 1 258.365 3.187 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CCOCC23CCCCC3)c1 ZINC000449627293 393926056 /nfs/dbraw/zinc/92/60/56/393926056.db2.gz ZHYRJZGAHFJKMV-UHFFFAOYSA-N 1 1 276.405 3.155 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCOCC23CCCCC3)c1 ZINC000449627293 393926058 /nfs/dbraw/zinc/92/60/58/393926058.db2.gz ZHYRJZGAHFJKMV-UHFFFAOYSA-N 1 1 276.405 3.155 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccc(O[C@H](C)COC)cc1 ZINC000667656612 542908785 /nfs/dbraw/zinc/90/87/85/542908785.db2.gz MOYWLDJOFDTROG-OAHLLOKOSA-N 1 1 277.408 3.498 20 30 CGEDMO C=C(C)C[N@H+](Cc1cnc2n1CCC2)Cc1ccccc1 ZINC000668090315 542968772 /nfs/dbraw/zinc/96/87/72/542968772.db2.gz KJJQXHRPBDLOLW-UHFFFAOYSA-N 1 1 281.403 3.408 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cnc2n1CCC2)Cc1ccccc1 ZINC000668090315 542968774 /nfs/dbraw/zinc/96/87/74/542968774.db2.gz KJJQXHRPBDLOLW-UHFFFAOYSA-N 1 1 281.403 3.408 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NC3CC3)cc2)C1 ZINC000668494044 543019926 /nfs/dbraw/zinc/01/99/26/543019926.db2.gz UNSOEYDOMKVHQR-OAHLLOKOSA-N 1 1 298.430 3.367 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2nn(C)c(C)c2Cl)C1 ZINC000668494402 543020481 /nfs/dbraw/zinc/02/04/81/543020481.db2.gz ZBKCYGGIIXDWIA-GFCCVEGCSA-N 1 1 267.804 3.170 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2nn(C)c(C)c2Cl)C1 ZINC000668494402 543020486 /nfs/dbraw/zinc/02/04/86/543020486.db2.gz ZBKCYGGIIXDWIA-GFCCVEGCSA-N 1 1 267.804 3.170 20 30 CGEDMO COC1(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)CCCC1 ZINC000361508941 292109738 /nfs/dbraw/zinc/10/97/38/292109738.db2.gz RIRVDZRFTKHLAY-UHFFFAOYSA-N 1 1 284.403 3.482 20 30 CGEDMO CC[N@@H+](Cc1cc(Cl)ccc1OCC#N)C(C)C ZINC000735309915 572714197 /nfs/dbraw/zinc/71/41/97/572714197.db2.gz NDRVQTGQEYLXGO-UHFFFAOYSA-N 1 1 266.772 3.473 20 30 CGEDMO C=CCOCC[N@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000649916667 397753320 /nfs/dbraw/zinc/75/33/20/397753320.db2.gz JGDRRRZFNLRLJD-BZSNNMDCSA-N 1 1 287.403 3.184 20 30 CGEDMO COCC#CC[N@@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000677132807 543435841 /nfs/dbraw/zinc/43/58/41/543435841.db2.gz RWVNGQJYMJUOOO-ZDUSSCGKSA-N 1 1 257.333 3.075 20 30 CGEDMO COCC#CC[N@@H+](C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000677820263 543467830 /nfs/dbraw/zinc/46/78/30/543467830.db2.gz KSLTWJZHVDXLEQ-QZTJIDSGSA-N 1 1 271.404 3.213 20 30 CGEDMO C=C(C)[C@@H](CO)[N@@H+](CC)Cc1cccc(Br)c1 ZINC000678050390 543479208 /nfs/dbraw/zinc/47/92/08/543479208.db2.gz ZPFTVUBJWNNWLY-CQSZACIVSA-N 1 1 298.224 3.208 20 30 CGEDMO COc1cc(C#N)ccc1OCC[N@@H+](CC(C)C)C1CC1 ZINC000077250490 165120974 /nfs/dbraw/zinc/12/09/74/165120974.db2.gz AHEGRQCWNJKGDC-UHFFFAOYSA-N 1 1 288.391 3.066 20 30 CGEDMO C[C@H]1C[C@H](Nc2cc(C#N)c3ccccc3n2)CC[N@H+]1C ZINC000090795399 165242751 /nfs/dbraw/zinc/24/27/51/165242751.db2.gz CFDIMVCUVOGHPL-GXTWGEPZSA-N 1 1 280.375 3.001 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)o1 ZINC000092121043 165282606 /nfs/dbraw/zinc/28/26/06/165282606.db2.gz WGIZVIWYLULZPH-HNNXBMFYSA-N 1 1 284.334 3.497 20 30 CGEDMO COc1ccccc1C[C@H]1CCC[N@H+]1Cc1ccc(C#N)o1 ZINC000092660831 165308207 /nfs/dbraw/zinc/30/82/07/165308207.db2.gz AZMRQGJMSMXXSK-OAHLLOKOSA-N 1 1 296.370 3.367 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](COCc3ccccc3)C2)o1 ZINC000093684057 165336441 /nfs/dbraw/zinc/33/64/41/165336441.db2.gz MCRBCFFCAMEQCD-INIZCTEOSA-N 1 1 296.370 3.190 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](Cc2cc(C#N)cs2)CCS1 ZINC000093869336 165338633 /nfs/dbraw/zinc/33/86/33/165338633.db2.gz QZHZLCIGARMKST-CYBMUJFWSA-N 1 1 266.435 3.193 20 30 CGEDMO C[C@@H]1CCCC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000335305147 287255687 /nfs/dbraw/zinc/25/56/87/287255687.db2.gz WMTVFUMSXPCHBE-DOMZBBRYSA-N 1 1 271.364 3.257 20 30 CGEDMO Cc1nc(C2CC2)oc1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000329504017 225281436 /nfs/dbraw/zinc/28/14/36/225281436.db2.gz IGSBQHPJHCIDLL-UHFFFAOYSA-N 1 1 291.395 3.039 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000681480374 543789933 /nfs/dbraw/zinc/78/99/33/543789933.db2.gz ZZHJZVUGUMCOQR-QAPCUYQASA-N 1 1 269.388 3.310 20 30 CGEDMO COC[C@H](Cc1ccccc1)[N@@H+](C)CCC(C)(C)C#N ZINC000347179712 226070925 /nfs/dbraw/zinc/07/09/25/226070925.db2.gz ZNECBSLGFGUSDC-INIZCTEOSA-N 1 1 274.408 3.116 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000683783065 543941929 /nfs/dbraw/zinc/94/19/29/543941929.db2.gz OPEJQSOTRJVSBA-VXGBXAGGSA-N 1 1 265.319 3.384 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000683783065 543941930 /nfs/dbraw/zinc/94/19/30/543941930.db2.gz OPEJQSOTRJVSBA-VXGBXAGGSA-N 1 1 265.319 3.384 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1csc(-c2cnn(C)c2)n1 ZINC000683793250 543942623 /nfs/dbraw/zinc/94/26/23/543942623.db2.gz WCVMIICKXHXKNB-CQSZACIVSA-N 1 1 288.420 3.084 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1csc(-c2cnn(C)c2)n1 ZINC000683793250 543942626 /nfs/dbraw/zinc/94/26/26/543942626.db2.gz WCVMIICKXHXKNB-CQSZACIVSA-N 1 1 288.420 3.084 20 30 CGEDMO C=CC[N@H+](C[C@@H](OC)[C@H]1CCOC1)CC1CCCCC1 ZINC000659918935 419033897 /nfs/dbraw/zinc/03/38/97/419033897.db2.gz CFSMEKDXJYZUMS-DLBZAZTESA-N 1 1 281.440 3.106 20 30 CGEDMO C=CCCn1cc(C[N@H+](C)CCCCc2ccccc2)nn1 ZINC000653498276 419037686 /nfs/dbraw/zinc/03/76/86/419037686.db2.gz PGRDLEUVYJWRPG-UHFFFAOYSA-N 1 1 298.434 3.309 20 30 CGEDMO C=CCCn1cc(C[N@@H+](C)CCCCc2ccccc2)nn1 ZINC000653498276 419037690 /nfs/dbraw/zinc/03/76/90/419037690.db2.gz PGRDLEUVYJWRPG-UHFFFAOYSA-N 1 1 298.434 3.309 20 30 CGEDMO C=CCCn1cc(C[N@H+](C)[C@H](CC)Cc2ccccc2)nn1 ZINC000653559699 419048195 /nfs/dbraw/zinc/04/81/95/419048195.db2.gz OTCVVUFCRLIJAV-GOSISDBHSA-N 1 1 298.434 3.307 20 30 CGEDMO C=CC[N@@H+](CCO[C@@H]1CC1(F)F)Cc1ccccc1F ZINC000659850803 419013554 /nfs/dbraw/zinc/01/35/54/419013554.db2.gz BHSBXZHJSSCZSM-CQSZACIVSA-N 1 1 285.309 3.238 20 30 CGEDMO C=CC[N@H+](CCO[C@@H]1CC1(F)F)Cc1ccccc1F ZINC000659850803 419013556 /nfs/dbraw/zinc/01/35/56/419013556.db2.gz BHSBXZHJSSCZSM-CQSZACIVSA-N 1 1 285.309 3.238 20 30 CGEDMO C=CC[N@@H+](CCc1nsc2ccccc21)C1CC1 ZINC000660170390 419092096 /nfs/dbraw/zinc/09/20/96/419092096.db2.gz QXPSOSWZQGFPPO-UHFFFAOYSA-N 1 1 258.390 3.489 20 30 CGEDMO C=CCCC(C)(C)NC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000665269839 419097041 /nfs/dbraw/zinc/09/70/41/419097041.db2.gz NSKPPPOMQQUROD-GJZGRUSLSA-N 1 1 293.455 3.047 20 30 CGEDMO C=CCCn1cc(C[NH+]2CCC(CC)(CC)CC2)nn1 ZINC000653623325 419062363 /nfs/dbraw/zinc/06/23/63/419062363.db2.gz BFLBOLXWTUDCCU-UHFFFAOYSA-N 1 1 276.428 3.256 20 30 CGEDMO C=CCCn1cc(C[N@H+]2CCC[C@H](c3ccccc3)C2)nn1 ZINC000653700007 419072408 /nfs/dbraw/zinc/07/24/08/419072408.db2.gz HNCBYOUFODZERH-KRWDZBQOSA-N 1 1 296.418 3.234 20 30 CGEDMO CC[N@H+]1CCCN(CC#Cc2ccccc2Cl)[C@@H](C)C1 ZINC000660787080 419196149 /nfs/dbraw/zinc/19/61/49/419196149.db2.gz IRWWDOYSOOEBGT-HNNXBMFYSA-N 1 1 290.838 3.108 20 30 CGEDMO C=CC[C@H](Cc1ccccc1)n1cc(C[NH+]2CCCC2)nn1 ZINC000656456926 419173558 /nfs/dbraw/zinc/17/35/58/419173558.db2.gz APZXWDKJCNBZFW-GOSISDBHSA-N 1 1 296.418 3.234 20 30 CGEDMO C=CC[N@H+](CCCc1ccccc1OC)[C@@H](C)COC ZINC000661241361 419244247 /nfs/dbraw/zinc/24/42/47/419244247.db2.gz WNMODMSWUGMDLC-HNNXBMFYSA-N 1 1 277.408 3.151 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC(F)F)cc1)[C@H](C)COC ZINC000661244029 419244375 /nfs/dbraw/zinc/24/43/75/419244375.db2.gz PVJQAZGGAREALH-GFCCVEGCSA-N 1 1 285.334 3.311 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cc(F)cc3c2OCOC3)C1 ZINC000661377912 419255040 /nfs/dbraw/zinc/25/50/40/419255040.db2.gz WNWYLQKMOWSHTK-CYBMUJFWSA-N 1 1 291.366 3.480 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2nc(-c3ccoc3)no2)C1 ZINC000661381040 419255797 /nfs/dbraw/zinc/25/57/97/419255797.db2.gz UDZXDDOUOVTRFL-LBPRGKRZSA-N 1 1 273.336 3.118 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1ccccc1C(C)=O)C(C)(C)C ZINC000661756354 419294723 /nfs/dbraw/zinc/29/47/23/419294723.db2.gz LJHHCVWMYVLMQR-UHFFFAOYSA-N 1 1 288.391 3.114 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1ccccc1C(C)=O)C(C)(C)C ZINC000661756354 419294726 /nfs/dbraw/zinc/29/47/26/419294726.db2.gz LJHHCVWMYVLMQR-UHFFFAOYSA-N 1 1 288.391 3.114 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1ccccc1C)C(C)(C)C ZINC000661755604 419295410 /nfs/dbraw/zinc/29/54/10/419295410.db2.gz VQBDGNBFWOFEAJ-UHFFFAOYSA-N 1 1 260.381 3.220 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000662065188 419330805 /nfs/dbraw/zinc/33/08/05/419330805.db2.gz LOXAPMIYNQVSDE-LJQANCHMSA-N 1 1 277.367 3.191 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnc(-c2ccco2)o1 ZINC000662077364 419332449 /nfs/dbraw/zinc/33/24/49/419332449.db2.gz CDGXPGBCBUREOZ-TXEJJXNPSA-N 1 1 271.320 3.013 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000662079247 419333204 /nfs/dbraw/zinc/33/32/04/419333204.db2.gz LUEBJPVITPYOLO-RYQLBKOJSA-N 1 1 298.430 3.389 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(C(C)(C)C)no1 ZINC000662078696 419333303 /nfs/dbraw/zinc/33/33/03/419333303.db2.gz JKPHGLXIUUSMMN-TXEJJXNPSA-N 1 1 261.369 3.050 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(C(C)(C)C)no1 ZINC000662078696 419333304 /nfs/dbraw/zinc/33/33/04/419333304.db2.gz JKPHGLXIUUSMMN-TXEJJXNPSA-N 1 1 261.369 3.050 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000662079245 419333470 /nfs/dbraw/zinc/33/34/70/419333470.db2.gz LUEBJPVITPYOLO-NXHRZFHOSA-N 1 1 298.430 3.389 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCOc1ccccc1OC ZINC000662205996 419362314 /nfs/dbraw/zinc/36/23/14/419362314.db2.gz UMGICGWSAUTBPL-UHFFFAOYSA-N 1 1 263.381 3.362 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](C[C@@H](CN)c2ccc(OC)cc2)C1 ZINC000662298322 419387367 /nfs/dbraw/zinc/38/73/67/419387367.db2.gz BFIGGHQCVWCLRP-DOTOQJQBSA-N 1 1 288.435 3.026 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](C[C@@H](CN)c2ccc(OC)cc2)C1 ZINC000662298322 419387371 /nfs/dbraw/zinc/38/73/71/419387371.db2.gz BFIGGHQCVWCLRP-DOTOQJQBSA-N 1 1 288.435 3.026 20 30 CGEDMO C=CC[N@H+](CCc1cn[nH]c1)Cc1ccc(Cl)s1 ZINC000297951498 260138770 /nfs/dbraw/zinc/13/87/70/260138770.db2.gz VVGAOZBAHDGRJB-UHFFFAOYSA-N 1 1 281.812 3.355 20 30 CGEDMO CCOC[C@@H]1CCCC[N@H+]1CCCC(C)(C)C#N ZINC000313470452 260296990 /nfs/dbraw/zinc/29/69/90/260296990.db2.gz OHPCTRQPOXWUPL-AWEZNQCLSA-N 1 1 252.402 3.207 20 30 CGEDMO N#CCCCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153278560 261076056 /nfs/dbraw/zinc/07/60/56/261076056.db2.gz ZWMWAXNEDSYWFG-UHFFFAOYSA-N 1 1 273.336 3.253 20 30 CGEDMO Cc1cc(C[NH2+]CC2(C#N)CC2)ccc1Br ZINC000309866141 262040156 /nfs/dbraw/zinc/04/01/56/262040156.db2.gz OPSINTZCLPJTIU-UHFFFAOYSA-N 1 1 279.181 3.151 20 30 CGEDMO COc1ccc(C#N)cc1Cn1c[nH+]c2c1C[C@@H](C)[C@H](C)C2 ZINC000390026709 262083051 /nfs/dbraw/zinc/08/30/51/262083051.db2.gz XUZRMSVMIGYGRC-CHWSQXEVSA-N 1 1 295.386 3.182 20 30 CGEDMO CC[C@]1(CO)CCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000189625606 262173736 /nfs/dbraw/zinc/17/37/36/262173736.db2.gz ZCPTVMGNEYEXGF-GOSISDBHSA-N 1 1 286.419 3.225 20 30 CGEDMO N#C[C@@H]1CCC[C@H]([NH2+]Cc2nnc(-c3ccccc3)s2)C1 ZINC000193020876 262214376 /nfs/dbraw/zinc/21/43/76/262214376.db2.gz ZJAXEGRIHSDFHK-OCCSQVGLSA-N 1 1 298.415 3.377 20 30 CGEDMO Cc1cc(C)c(NC(=O)C[N@@H+](C)CCCCC#N)c(C)c1 ZINC000198732173 262266368 /nfs/dbraw/zinc/26/63/68/262266368.db2.gz KEAPYKBALICCDZ-UHFFFAOYSA-N 1 1 287.407 3.176 20 30 CGEDMO C[N@H+](Cc1c[nH]nc1-c1ccccc1)CC(C)(C)C#N ZINC000354039650 262355389 /nfs/dbraw/zinc/35/53/89/262355389.db2.gz NUGIJGCVBCOJPQ-UHFFFAOYSA-N 1 1 268.364 3.058 20 30 CGEDMO C[N@@H+](Cc1c[nH]nc1-c1ccccc1)CC(C)(C)C#N ZINC000354039650 262355390 /nfs/dbraw/zinc/35/53/90/262355390.db2.gz NUGIJGCVBCOJPQ-UHFFFAOYSA-N 1 1 268.364 3.058 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000336797479 262396946 /nfs/dbraw/zinc/39/69/46/262396946.db2.gz AJIGHTMCFXFIPH-CABCVRRESA-N 1 1 264.413 3.065 20 30 CGEDMO CC[C@@H](CSC)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000337198119 262432789 /nfs/dbraw/zinc/43/27/89/262432789.db2.gz ZJADUSFHMVWFMR-AWEZNQCLSA-N 1 1 284.469 3.160 20 30 CGEDMO Cc1ccc([C@H]2CCC[N@H+]2CCOCCC#N)s1 ZINC000338998277 262578844 /nfs/dbraw/zinc/57/88/44/262578844.db2.gz GRVSJUQSGZQRMH-CYBMUJFWSA-N 1 1 264.394 3.124 20 30 CGEDMO C[C@H]1C[N@@H+](CCOCCC#N)CC[C@@H]1c1ccccc1 ZINC000339005757 262579421 /nfs/dbraw/zinc/57/94/21/262579421.db2.gz WWTQQHZTEKHVEE-RDJZCZTQSA-N 1 1 272.392 3.042 20 30 CGEDMO C[C@H](C[N@@H+](C)CCC(C)(C)C#N)c1nccs1 ZINC000273058008 263011810 /nfs/dbraw/zinc/01/18/10/263011810.db2.gz LRFSIFMJGYCQSO-LLVKDONJSA-N 1 1 251.399 3.118 20 30 CGEDMO Cc1cccc([C@@H]2CC[N@@H+](CCCSCC#N)C2)c1 ZINC000273100839 263012668 /nfs/dbraw/zinc/01/26/68/263012668.db2.gz OOGCYOIDBKXROY-MRXNPFEDSA-N 1 1 274.433 3.431 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000276310795 263035982 /nfs/dbraw/zinc/03/59/82/263035982.db2.gz MEHRDCHBDZZTIU-OAHLLOKOSA-N 1 1 289.398 3.026 20 30 CGEDMO C[C@H](CCC#N)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000276310795 263035983 /nfs/dbraw/zinc/03/59/83/263035983.db2.gz MEHRDCHBDZZTIU-OAHLLOKOSA-N 1 1 289.398 3.026 20 30 CGEDMO C[C@H](CCC#N)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000276310795 263035984 /nfs/dbraw/zinc/03/59/84/263035984.db2.gz MEHRDCHBDZZTIU-OAHLLOKOSA-N 1 1 289.398 3.026 20 30 CGEDMO C[N@@H+](Cc1ccc(OC(F)F)cc1)[C@@H]1CC[C@H](C#N)C1 ZINC000278748620 263050325 /nfs/dbraw/zinc/05/03/25/263050325.db2.gz WVRYJHSKZMSOIQ-QWHCGFSZSA-N 1 1 280.318 3.412 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000279305912 263054676 /nfs/dbraw/zinc/05/46/76/263054676.db2.gz QWVCROBSCRJZIX-UHFFFAOYSA-N 1 1 254.377 3.331 20 30 CGEDMO CCn1ccnc1[C@@H]1CCCC[N@H+]1CCCCC#N ZINC000281142928 263066824 /nfs/dbraw/zinc/06/68/24/263066824.db2.gz ZIJMCWRTKFSPON-AWEZNQCLSA-N 1 1 260.385 3.124 20 30 CGEDMO C[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccccc1F ZINC000282052145 263073916 /nfs/dbraw/zinc/07/39/16/263073916.db2.gz ROYMCFMLIBGQQZ-UHFFFAOYSA-N 1 1 290.382 3.358 20 30 CGEDMO C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCOCCC#N)C1 ZINC000292837206 263135574 /nfs/dbraw/zinc/13/55/74/263135574.db2.gz PFEMHCJGZPPCCA-CJNGLKHVSA-N 1 1 276.355 3.139 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](c3ccc(F)cc3)C2)C1 ZINC000292848567 263135827 /nfs/dbraw/zinc/13/58/27/263135827.db2.gz QFGYLBXZLWTVNT-IVMMDQJWSA-N 1 1 258.340 3.307 20 30 CGEDMO COc1cc2c(cc1Cl)C[N@@H+](CCCCC#N)CC2 ZINC000293140233 263138035 /nfs/dbraw/zinc/13/80/35/263138035.db2.gz NMIQHGYZYYHBRW-UHFFFAOYSA-N 1 1 278.783 3.401 20 30 CGEDMO C=C[C@H](CO)[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000353569979 263174791 /nfs/dbraw/zinc/17/47/91/263174791.db2.gz CVXCDSDINGJSDI-WCQYABFASA-N 1 1 274.389 3.008 20 30 CGEDMO C=C(C)C[N@@H+](CC)[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000120121270 263280192 /nfs/dbraw/zinc/28/01/92/263280192.db2.gz SBIHYGCUCDICKY-CYBMUJFWSA-N 1 1 288.391 3.114 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000120121270 263280194 /nfs/dbraw/zinc/28/01/94/263280194.db2.gz SBIHYGCUCDICKY-CYBMUJFWSA-N 1 1 288.391 3.114 20 30 CGEDMO CC(C)(C#N)CC[N@@H+](Cc1ccccc1)CC1(CO)CC1 ZINC000341976875 263368639 /nfs/dbraw/zinc/36/86/39/263368639.db2.gz UGWGKBWXWPBZMK-UHFFFAOYSA-N 1 1 286.419 3.201 20 30 CGEDMO C=CCOc1ccc(CNc2nc(C)[nH+]c(C)c2C)cc1 ZINC000343222041 263777683 /nfs/dbraw/zinc/77/76/83/263777683.db2.gz FAEHCTZSIXGOFY-UHFFFAOYSA-N 1 1 283.375 3.001 20 30 CGEDMO C=CC[C@H](C(=O)NCC[N@H+](C)[C@@H](C)CC)c1ccccc1 ZINC000189017811 264268907 /nfs/dbraw/zinc/26/89/07/264268907.db2.gz VBNBCUDHUPVOSS-RDJZCZTQSA-N 1 1 288.435 3.193 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCC(=O)Nc1ccccc1C ZINC000072555441 264268957 /nfs/dbraw/zinc/26/89/57/264268957.db2.gz YDVWUMXDAYOFER-UHFFFAOYSA-N 1 1 260.381 3.222 20 30 CGEDMO CO[C@H](C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1)C1CC1 ZINC000425422929 264312389 /nfs/dbraw/zinc/31/23/89/264312389.db2.gz SVKZSINZDMAFLA-OKZBNKHCSA-N 1 1 284.403 3.183 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCS[C@@H](C)[C@H]1c1ccccc1 ZINC000129528910 264323196 /nfs/dbraw/zinc/32/31/96/264323196.db2.gz VGHOFARZSGAICO-UAGQMJEPSA-N 1 1 291.460 3.492 20 30 CGEDMO C=CCCC[N@H+](C)CCC(=O)Nc1ccccc1F ZINC000076734328 264343138 /nfs/dbraw/zinc/34/31/38/264343138.db2.gz TZWRYIYLFSKRLR-UHFFFAOYSA-N 1 1 264.344 3.052 20 30 CGEDMO C=CCCC[N@H+](C)Cc1nc(-c2ccc(F)cc2)no1 ZINC000076736297 264344149 /nfs/dbraw/zinc/34/41/49/264344149.db2.gz NLFQHVLQVIPQIM-UHFFFAOYSA-N 1 1 275.327 3.274 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)Nc1c(C)cccc1Cl ZINC000132269841 264385809 /nfs/dbraw/zinc/38/58/09/264385809.db2.gz IAZWEOMPKOGFCJ-UHFFFAOYSA-N 1 1 280.799 3.485 20 30 CGEDMO C=CCOc1ccc(C[NH2+][C@@H](C)c2cc(C)n(C)n2)cc1 ZINC000294075803 265006015 /nfs/dbraw/zinc/00/60/15/265006015.db2.gz ICXKRBWGLKLQPZ-AWEZNQCLSA-N 1 1 285.391 3.144 20 30 CGEDMO C[C@@H]1CCC[C@@H]([N@@H+](C)CCOc2ccc(C#N)cc2)C1 ZINC000042373848 270032961 /nfs/dbraw/zinc/03/29/61/270032961.db2.gz LJSVWJKGDMXQLQ-GDBMZVCRSA-N 1 1 272.392 3.448 20 30 CGEDMO COc1cc(C[NH2+]CC2(C#N)CC2)cc2ccccc21 ZINC000519076616 265312037 /nfs/dbraw/zinc/31/20/37/265312037.db2.gz JLALFIAJQPRAHL-UHFFFAOYSA-N 1 1 266.344 3.242 20 30 CGEDMO CSCC[N@H+](C)Cc1cc(C#N)ccc1Br ZINC000191808834 270076235 /nfs/dbraw/zinc/07/62/35/270076235.db2.gz UYNFUWKSEJIQHT-UHFFFAOYSA-N 1 1 299.237 3.116 20 30 CGEDMO CSCC[N@@H+](C)Cc1cc(C#N)ccc1Br ZINC000191808834 270076236 /nfs/dbraw/zinc/07/62/36/270076236.db2.gz UYNFUWKSEJIQHT-UHFFFAOYSA-N 1 1 299.237 3.116 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)NCCC(C)C ZINC000356349721 266100183 /nfs/dbraw/zinc/10/01/83/266100183.db2.gz BPPMKUPZBFTOFV-INIZCTEOSA-N 1 1 288.435 3.225 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)NCCC(C)C ZINC000356349721 266100185 /nfs/dbraw/zinc/10/01/85/266100185.db2.gz BPPMKUPZBFTOFV-INIZCTEOSA-N 1 1 288.435 3.225 20 30 CGEDMO CC1(C#N)CC[NH+](Cc2cnc(-c3ccccn3)s2)CC1 ZINC000356938459 266214199 /nfs/dbraw/zinc/21/41/99/266214199.db2.gz RTQDJKDMMHGBBB-UHFFFAOYSA-N 1 1 298.415 3.331 20 30 CGEDMO CC(C)Cc1ncc(C[NH+]2CCC(C)(C#N)CC2)s1 ZINC000356940072 266215043 /nfs/dbraw/zinc/21/50/43/266215043.db2.gz WUCFJVZYTRVFBF-UHFFFAOYSA-N 1 1 277.437 3.467 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC(F)F)cc1)C1CC1 ZINC000357548724 266319472 /nfs/dbraw/zinc/31/94/72/266319472.db2.gz ANUJZZHWGWZHFQ-UHFFFAOYSA-N 1 1 253.292 3.438 20 30 CGEDMO C=CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000357554968 266324050 /nfs/dbraw/zinc/32/40/50/266324050.db2.gz RMHQSDLBOXWYIL-UHFFFAOYSA-N 1 1 276.336 3.014 20 30 CGEDMO C=C(CC)C[N@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000357814712 266371352 /nfs/dbraw/zinc/37/13/52/266371352.db2.gz XBYUQLTYQCTNIC-UHFFFAOYSA-N 1 1 285.366 3.336 20 30 CGEDMO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1cc(C#N)ccc1OC ZINC000399742143 266385528 /nfs/dbraw/zinc/38/55/28/266385528.db2.gz JJRKYACRWMRNDG-SWLSCSKDSA-N 1 1 258.365 3.187 20 30 CGEDMO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc2ncsc2c1 ZINC000362572914 267009507 /nfs/dbraw/zinc/00/95/07/267009507.db2.gz NGCXLXUFCZRLBE-VXGBXAGGSA-N 1 1 284.388 3.390 20 30 CGEDMO C=C(Cl)C[NH+]1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC000363190127 267079754 /nfs/dbraw/zinc/07/97/54/267079754.db2.gz PTPCBANZAPBSCG-HNNXBMFYSA-N 1 1 290.794 3.187 20 30 CGEDMO CC(C)(C#N)CCC[NH2+]C1(c2noc(C(F)F)n2)CCC1 ZINC000368330859 267163099 /nfs/dbraw/zinc/16/30/99/267163099.db2.gz MUOITXSKFJYFFD-UHFFFAOYSA-N 1 1 298.337 3.306 20 30 CGEDMO CC[C@H](CC#N)N[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000368625702 267191772 /nfs/dbraw/zinc/19/17/72/267191772.db2.gz QRXCOJBVIBTWFQ-IAGOWNOFSA-N 1 1 285.435 3.321 20 30 CGEDMO CC[C@H](CC#N)[NH2+][C@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000368625702 267191774 /nfs/dbraw/zinc/19/17/74/267191774.db2.gz QRXCOJBVIBTWFQ-IAGOWNOFSA-N 1 1 285.435 3.321 20 30 CGEDMO C=CCCCCC[N@H+]1CCOC2(CCOCC2)CC1 ZINC000369693131 267258892 /nfs/dbraw/zinc/25/88/92/267258892.db2.gz PVOPOQGZTJTDJC-UHFFFAOYSA-N 1 1 267.413 3.004 20 30 CGEDMO C[C@@]1(c2ccccc2)CC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000370395309 267317002 /nfs/dbraw/zinc/31/70/02/267317002.db2.gz ONVVJAYCBQSNOV-DOTOQJQBSA-N 1 1 267.376 3.094 20 30 CGEDMO C[C@@]1(c2ccccc2)CC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000370395309 267317004 /nfs/dbraw/zinc/31/70/04/267317004.db2.gz ONVVJAYCBQSNOV-DOTOQJQBSA-N 1 1 267.376 3.094 20 30 CGEDMO C#CCC[N@@H+](C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000371185088 267362416 /nfs/dbraw/zinc/36/24/16/267362416.db2.gz QPRRVDFJPNUKRM-INIZCTEOSA-N 1 1 285.778 3.175 20 30 CGEDMO C#CCC[N@H+](C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000371185088 267362419 /nfs/dbraw/zinc/36/24/19/267362419.db2.gz QPRRVDFJPNUKRM-INIZCTEOSA-N 1 1 285.778 3.175 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc3ncccc3c2)CCC1 ZINC000418137742 267371702 /nfs/dbraw/zinc/37/17/02/267371702.db2.gz FEOKJKHMAVXCKY-UHFFFAOYSA-N 1 1 251.333 3.018 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)Nc1cccc(C)c1 ZINC000120107161 267381744 /nfs/dbraw/zinc/38/17/44/267381744.db2.gz IAIGVYFNKVZERB-CQSZACIVSA-N 1 1 260.381 3.220 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)N1CCCC[C@H]1CC ZINC000120108344 267382242 /nfs/dbraw/zinc/38/22/42/267382242.db2.gz ORXQJYIZYZGZHR-HUUCEWRRSA-N 1 1 266.429 3.064 20 30 CGEDMO C=CC[N@H+](Cc1ccco1)Cc1ccc(OC)cc1 ZINC000123053476 267983142 /nfs/dbraw/zinc/98/31/42/267983142.db2.gz XTAKYUKWKRZGMY-UHFFFAOYSA-N 1 1 257.333 3.476 20 30 CGEDMO C=CC[N@@H+](Cc1ccco1)Cc1ccc(OC)cc1 ZINC000123053476 267983143 /nfs/dbraw/zinc/98/31/43/267983143.db2.gz XTAKYUKWKRZGMY-UHFFFAOYSA-N 1 1 257.333 3.476 20 30 CGEDMO Cc1ccnc([C@H](C)[NH2+]Cc2ccc(C#N)s2)c1 ZINC000421354624 268065191 /nfs/dbraw/zinc/06/51/91/268065191.db2.gz WZDSBQJPLPPEEL-NSHDSACASA-N 1 1 257.362 3.174 20 30 CGEDMO C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(F)c(C#N)c1 ZINC000532344323 270215778 /nfs/dbraw/zinc/21/57/78/270215778.db2.gz ZTSVULAPVFBZCQ-AWEZNQCLSA-N 1 1 298.361 3.080 20 30 CGEDMO C[C@H](O)C[N@@H+](Cc1ccc(C#N)cc1F)C1CCCCC1 ZINC000170691159 278289161 /nfs/dbraw/zinc/28/91/61/278289161.db2.gz NXRDPZFHTAFSQT-ZDUSSCGKSA-N 1 1 290.382 3.213 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000335042211 278305597 /nfs/dbraw/zinc/30/55/97/278305597.db2.gz XIZHQTRENHGHHL-RHSMWYFYSA-N 1 1 270.376 3.122 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451705073 278306172 /nfs/dbraw/zinc/30/61/72/278306172.db2.gz LESWJGSMILWKIR-BNEJOLLZSA-N 1 1 284.403 3.102 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000246672923 278306262 /nfs/dbraw/zinc/30/62/62/278306262.db2.gz MFAGDEVHMFQKFH-COXVUDFISA-N 1 1 270.376 3.120 20 30 CGEDMO CC[N@@H+](CCC(C)(C)C#N)[C@@H]1CCOC(C)(C)C1 ZINC000351923820 279176619 /nfs/dbraw/zinc/17/66/19/279176619.db2.gz AQPMGJVSWXCOTN-CYBMUJFWSA-N 1 1 252.402 3.206 20 30 CGEDMO N#Cc1ccc(O[C@@H]2CC[N@H+]([C@@H]3C=CCCCCC3)C2)nc1 ZINC000550105613 289066884 /nfs/dbraw/zinc/06/68/84/289066884.db2.gz NZUJKWCJIFVXHL-IAGOWNOFSA-N 1 1 297.402 3.295 20 30 CGEDMO C[C@H](N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(C#N)cc1 ZINC000245833238 290008894 /nfs/dbraw/zinc/00/88/94/290008894.db2.gz CCDWPUCWVOBBSS-IAOVAPTHSA-N 1 1 271.408 3.082 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451695327 290245722 /nfs/dbraw/zinc/24/57/22/290245722.db2.gz DOGFWGQMTRHYHO-PILAGYSTSA-N 1 1 284.403 3.102 20 30 CGEDMO COC(C)(C)C[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000531575811 328018873 /nfs/dbraw/zinc/01/88/73/328018873.db2.gz AZIFREDDQIVTHY-UHFFFAOYSA-N 1 1 265.784 3.048 20 30 CGEDMO CC#CCC[N@H+](C)Cc1ccc(OC)c(Cl)c1 ZINC000412040616 328102018 /nfs/dbraw/zinc/10/20/18/328102018.db2.gz LTNUSENNZZMXIR-UHFFFAOYSA-N 1 1 251.757 3.194 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2ccc(C)nn2)CCCC1(C)C ZINC000414444191 328171564 /nfs/dbraw/zinc/17/15/64/328171564.db2.gz KBVBRAALSIDSIK-OAHLLOKOSA-N 1 1 259.397 3.352 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@H]2CC[C@H](C#N)C2)cc1C ZINC000278623627 328228698 /nfs/dbraw/zinc/22/86/98/328228698.db2.gz NOAGFWHRAJDEAI-ZFWWWQNUSA-N 1 1 258.365 3.128 20 30 CGEDMO Cc1ccccc1[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000292991775 328274369 /nfs/dbraw/zinc/27/43/69/328274369.db2.gz GCLGFMXBMWBMFQ-ARFHVFGLSA-N 1 1 254.377 3.477 20 30 CGEDMO C=CCC(C)(C)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000293877020 328278268 /nfs/dbraw/zinc/27/82/68/328278268.db2.gz KQLVNMMRPKGYJU-UHFFFAOYSA-N 1 1 257.337 3.184 20 30 CGEDMO C[N@@H+](CC1(c2ccccc2)CC1)[C@H]1CC[C@@H](C#N)C1 ZINC000294755035 328283041 /nfs/dbraw/zinc/28/30/41/328283041.db2.gz XVQQVKYCBRYCNG-ZBFHGGJFSA-N 1 1 254.377 3.342 20 30 CGEDMO CCC[C@H]1[C@H](C)CCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000564211505 322023203 /nfs/dbraw/zinc/02/32/03/322023203.db2.gz KWKBRNGTWBKWOJ-CJNGLKHVSA-N 1 1 297.406 3.002 20 30 CGEDMO CC[N@@H+](C)C[C@H]1CCN(c2cccc(C(F)F)c2C#N)C1 ZINC000564468952 322031755 /nfs/dbraw/zinc/03/17/55/322031755.db2.gz MBUAZZLIMDIOSD-GFCCVEGCSA-N 1 1 293.361 3.274 20 30 CGEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCC[C@@H]1O ZINC000565368651 322075352 /nfs/dbraw/zinc/07/53/52/322075352.db2.gz XAGKCYIVNIDETJ-MSOLQXFVSA-N 1 1 286.419 3.320 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C(C)(C)C1 ZINC000565895329 322095925 /nfs/dbraw/zinc/09/59/25/322095925.db2.gz RTJWHPAKVJRTIP-LLVKDONJSA-N 1 1 273.336 3.087 20 30 CGEDMO C[C@@H](NCC[N@H+]1CC[C@H](C)C1)c1ccc(C#N)cc1Cl ZINC000570235642 322268428 /nfs/dbraw/zinc/26/84/28/322268428.db2.gz LJVSWECJLVNXFR-QWHCGFSZSA-N 1 1 291.826 3.204 20 30 CGEDMO C[C@@H]([NH2+]CCN1CC[C@H](C)C1)c1ccc(C#N)cc1Cl ZINC000570235642 322268430 /nfs/dbraw/zinc/26/84/30/322268430.db2.gz LJVSWECJLVNXFR-QWHCGFSZSA-N 1 1 291.826 3.204 20 30 CGEDMO C[C@@H]1CCC[C@H](C)C[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000571807579 322308378 /nfs/dbraw/zinc/30/83/78/322308378.db2.gz YIMLSRXHAOMSMY-QWHCGFSZSA-N 1 1 287.363 3.477 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000451405248 331027928 /nfs/dbraw/zinc/02/79/28/331027928.db2.gz HSIFHBXJHQXGQD-NEPJUHHUSA-N 1 1 265.319 3.242 20 30 CGEDMO C=CCCC[C@@H](C)[NH+]1CCC(CCN2CCOCC2)CC1 ZINC000557432429 327005419 /nfs/dbraw/zinc/00/54/19/327005419.db2.gz UJVJWAYHMQGUJB-QGZVFWFLSA-N 1 1 294.483 3.166 20 30 CGEDMO COc1ccc(Cl)cc1C[N@@H+](C)CCCSCC#N ZINC000074980423 327122495 /nfs/dbraw/zinc/12/24/95/327122495.db2.gz YYKVEUACLVRWHC-UHFFFAOYSA-N 1 1 298.839 3.427 20 30 CGEDMO C[C@@H]1CC[C@H](C)C[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000076149881 327129109 /nfs/dbraw/zinc/12/91/09/327129109.db2.gz WOLFZTPSIRDLHE-JKSUJKDBSA-N 1 1 299.418 3.054 20 30 CGEDMO COc1ccc([C@@H]2CC[N@@H+](CCCCC#N)C2)cc1 ZINC000102400565 327226957 /nfs/dbraw/zinc/22/69/57/327226957.db2.gz VQWBTKXKHRUEKV-OAHLLOKOSA-N 1 1 258.365 3.178 20 30 CGEDMO Clc1ccc(C#CC[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC000152803215 327297819 /nfs/dbraw/zinc/29/78/19/327297819.db2.gz AKSZQEIVFKTHIK-WBVHZDCISA-N 1 1 289.806 3.192 20 30 CGEDMO C=C(CC)CNc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000358658301 328889976 /nfs/dbraw/zinc/88/99/76/328889976.db2.gz VTIMJVBWLHKZCH-OAHLLOKOSA-N 1 1 274.408 3.458 20 30 CGEDMO COCC[C@@H]1CCCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000375098165 329000545 /nfs/dbraw/zinc/00/05/45/329000545.db2.gz XGXUYRXZOODMRG-HNNXBMFYSA-N 1 1 266.429 3.455 20 30 CGEDMO CCCCCCCC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000377426200 329014861 /nfs/dbraw/zinc/01/48/61/329014861.db2.gz NGMNSARVKWQEOA-HUUCEWRRSA-N 1 1 266.429 3.090 20 30 CGEDMO C=CC[N@@H+](Cc1cnn(C=C)c1)Cc1cccs1 ZINC000193631610 329060185 /nfs/dbraw/zinc/06/01/85/329060185.db2.gz USSNGLAVWQLKAX-UHFFFAOYSA-N 1 1 259.378 3.233 20 30 CGEDMO C=CC[N@H+](Cc1cnn(C=C)c1)Cc1cccs1 ZINC000193631610 329060186 /nfs/dbraw/zinc/06/01/86/329060186.db2.gz USSNGLAVWQLKAX-UHFFFAOYSA-N 1 1 259.378 3.233 20 30 CGEDMO N#CCSCCC[N@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000173894384 329153469 /nfs/dbraw/zinc/15/34/69/329153469.db2.gz RBGLGDZJCQQYTM-OAHLLOKOSA-N 1 1 264.438 3.456 20 30 CGEDMO C=CCCCC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000175724207 329168467 /nfs/dbraw/zinc/16/84/67/329168467.db2.gz ZYTCMFVFRSIUJM-INIZCTEOSA-N 1 1 286.419 3.076 20 30 CGEDMO C=CCCCC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000175724207 329168468 /nfs/dbraw/zinc/16/84/68/329168468.db2.gz ZYTCMFVFRSIUJM-INIZCTEOSA-N 1 1 286.419 3.076 20 30 CGEDMO C[C@H]1CSCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177265008 329181986 /nfs/dbraw/zinc/18/19/86/329181986.db2.gz HEEIKIRBGHWPKE-LBPRGKRZSA-N 1 1 299.361 3.494 20 30 CGEDMO C[C@H]1CSCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177265008 329181987 /nfs/dbraw/zinc/18/19/87/329181987.db2.gz HEEIKIRBGHWPKE-LBPRGKRZSA-N 1 1 299.361 3.494 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000181315818 329231162 /nfs/dbraw/zinc/23/11/62/329231162.db2.gz NVSQOWOIZAONBQ-UHFFFAOYSA-N 1 1 259.328 3.019 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000181315818 329231163 /nfs/dbraw/zinc/23/11/63/329231163.db2.gz NVSQOWOIZAONBQ-UHFFFAOYSA-N 1 1 259.328 3.019 20 30 CGEDMO CN(CCC[NH2+][C@H]1CCC[C@H](C#N)C1)Cc1ccccc1 ZINC000185761098 329331307 /nfs/dbraw/zinc/33/13/07/329331307.db2.gz CKZLOLWNUCCUEM-ROUUACIJSA-N 1 1 285.435 3.180 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)C[C@@H]1CC[C@H](C)O1 ZINC000190304938 329394522 /nfs/dbraw/zinc/39/45/22/329394522.db2.gz RTRBXSCAEUNPMI-STQMWFEESA-N 1 1 251.395 3.304 20 30 CGEDMO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433042559 330134541 /nfs/dbraw/zinc/13/45/41/330134541.db2.gz AMNQVCNFMWWNII-WBVHZDCISA-N 1 1 267.376 3.310 20 30 CGEDMO N#CCC[C@H](C#N)C[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433042559 330134543 /nfs/dbraw/zinc/13/45/43/330134543.db2.gz AMNQVCNFMWWNII-WBVHZDCISA-N 1 1 267.376 3.310 20 30 CGEDMO C#C[C@H](CC)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379647733 330145239 /nfs/dbraw/zinc/14/52/39/330145239.db2.gz KWGAYKKUYYSTNY-KBAYOESNSA-N 1 1 270.420 3.041 20 30 CGEDMO C#C[C@H](CC)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379647733 330145240 /nfs/dbraw/zinc/14/52/40/330145240.db2.gz KWGAYKKUYYSTNY-KBAYOESNSA-N 1 1 270.420 3.041 20 30 CGEDMO C=C(C)C[NH2+]Cc1ncc(Cl)cc1Br ZINC000527705848 330275485 /nfs/dbraw/zinc/27/54/85/330275485.db2.gz PSDFTIBLDMESCB-UHFFFAOYSA-N 1 1 275.577 3.163 20 30 CGEDMO C=CCn1cc(C[NH2+][C@H](CC)c2ccc(Cl)s2)nn1 ZINC000424291789 330335018 /nfs/dbraw/zinc/33/50/18/330335018.db2.gz FMEFXDGAMOHTOB-LLVKDONJSA-N 1 1 296.827 3.420 20 30 CGEDMO C=C[C@H](CC(=O)NCC[N@H+](CC)CCC)c1ccccc1 ZINC000119057860 330369487 /nfs/dbraw/zinc/36/94/87/330369487.db2.gz YHGNNFFKWBAXRY-MRXNPFEDSA-N 1 1 288.435 3.194 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000089996879 330389829 /nfs/dbraw/zinc/38/98/29/330389829.db2.gz LCEBPYXFWDWOIN-HOCLYGCPSA-N 1 1 292.810 3.168 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000089996879 330389830 /nfs/dbraw/zinc/38/98/30/330389830.db2.gz LCEBPYXFWDWOIN-HOCLYGCPSA-N 1 1 292.810 3.168 20 30 CGEDMO N#CCC1(C[NH2+]Cc2c(F)cccc2Cl)CC1 ZINC000430029669 330557655 /nfs/dbraw/zinc/55/76/55/330557655.db2.gz YIFKPTJFRVSOTM-UHFFFAOYSA-N 1 1 252.720 3.263 20 30 CGEDMO C=CCC1(C(=O)Nc2cc[nH+]c(N(C)C)c2)CCCC1 ZINC000450040279 330959474 /nfs/dbraw/zinc/95/94/74/330959474.db2.gz OMVBKKFRJYMMEZ-UHFFFAOYSA-N 1 1 273.380 3.223 20 30 CGEDMO C=CCN1CC[C@H]([N@H+]2[C@H](C)C[C@@H](c3ccccc3)[C@H]2C)C1=O ZINC000451180366 331018997 /nfs/dbraw/zinc/01/89/97/331018997.db2.gz GCXKQFVGUMXVJS-AHCXZYCDSA-N 1 1 298.430 3.040 20 30 CGEDMO C=CCN1CC[C@H]([N@H+]2[C@H](C)C[C@H](c3ccccc3)[C@@H]2C)C1=O ZINC000451180368 331019060 /nfs/dbraw/zinc/01/90/60/331019060.db2.gz GCXKQFVGUMXVJS-FZCLSBEQSA-N 1 1 298.430 3.040 20 30 CGEDMO C=CCN1CC[C@H]([N@H+]2[C@H](C)C[C@H](c3ccccc3)[C@H]2C)C1=O ZINC000451180369 331019137 /nfs/dbraw/zinc/01/91/37/331019137.db2.gz GCXKQFVGUMXVJS-LMSBXDPUSA-N 1 1 298.430 3.040 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543503 331033487 /nfs/dbraw/zinc/03/34/87/331033487.db2.gz CCJAFBURAKGRGZ-OAHLLOKOSA-N 1 1 272.348 3.188 20 30 CGEDMO CO[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C[C@H]1C ZINC000451574183 331034996 /nfs/dbraw/zinc/03/49/96/331034996.db2.gz RIVCYJROXVDLMQ-CZUORRHYSA-N 1 1 277.795 3.048 20 30 CGEDMO COc1ccc2c(c1)C[N@H+](CCCC(C)(C)C#N)CCO2 ZINC000451640169 331037624 /nfs/dbraw/zinc/03/76/24/331037624.db2.gz CLGURRQOEUQIQI-UHFFFAOYSA-N 1 1 288.391 3.220 20 30 CGEDMO C=CCOCC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000451877224 331045993 /nfs/dbraw/zinc/04/59/93/331045993.db2.gz HRTMDQAQRAYKCF-MRXNPFEDSA-N 1 1 285.391 3.293 20 30 CGEDMO C=CCOCC[N@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000451877224 331045994 /nfs/dbraw/zinc/04/59/94/331045994.db2.gz HRTMDQAQRAYKCF-MRXNPFEDSA-N 1 1 285.391 3.293 20 30 CGEDMO C=C(C)CCNC(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000452726677 331074454 /nfs/dbraw/zinc/07/44/54/331074454.db2.gz VYOHVYYEXXRYMH-UHFFFAOYSA-N 1 1 286.419 3.367 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2cc(COC)on2)CCCC1(C)C ZINC000459512130 331285473 /nfs/dbraw/zinc/28/54/73/331285473.db2.gz QYHOLKLMHZBVJI-HNNXBMFYSA-N 1 1 278.396 3.388 20 30 CGEDMO CC(C)(C)OC(=O)[C@@]1(C)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000459558122 331287861 /nfs/dbraw/zinc/28/78/61/331287861.db2.gz IAFCZDNUQBSQDR-IBGZPJMESA-N 1 1 299.414 3.092 20 30 CGEDMO C=CCCOCCNc1cc(C)c2ccc(C)cc2[nH+]1 ZINC000460948334 331309379 /nfs/dbraw/zinc/30/93/79/331309379.db2.gz IXYJIDHVCUDPEC-UHFFFAOYSA-N 1 1 270.376 3.278 20 30 CGEDMO CC#CCC[N@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000462321337 331319551 /nfs/dbraw/zinc/31/95/51/331319551.db2.gz VDGPWYSLMBCWLZ-UHFFFAOYSA-N 1 1 290.838 3.261 20 30 CGEDMO CC#CCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000462321779 331319677 /nfs/dbraw/zinc/31/96/77/331319677.db2.gz WNMPFVLAJSAACO-VQTJNVASSA-N 1 1 296.458 3.386 20 30 CGEDMO CC#CCCN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000462321779 331319678 /nfs/dbraw/zinc/31/96/78/331319678.db2.gz WNMPFVLAJSAACO-VQTJNVASSA-N 1 1 296.458 3.386 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CCc1nc2ccccc2n1C ZINC000489461264 332053880 /nfs/dbraw/zinc/05/38/80/332053880.db2.gz ILFVKZSFNVEMBD-CQSZACIVSA-N 1 1 269.392 3.156 20 30 CGEDMO C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C1(C)CCCC1 ZINC000489842663 332069896 /nfs/dbraw/zinc/06/98/96/332069896.db2.gz LTYRIJSYQXUJIY-UHFFFAOYSA-N 1 1 299.418 3.198 20 30 CGEDMO C#CC[N@@H+](Cc1c[nH]nc1-c1cccnc1)C1CCCCC1 ZINC000490875773 332124142 /nfs/dbraw/zinc/12/41/42/332124142.db2.gz RXLWNPLGFUAGPX-UHFFFAOYSA-N 1 1 294.402 3.240 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1ccc2[nH]cnc2c1)c1ccc(F)cc1 ZINC000491406233 332206153 /nfs/dbraw/zinc/20/61/53/332206153.db2.gz MQTKHVGTDVUPFA-OAHLLOKOSA-N 1 1 279.318 3.166 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1ccc2nc[nH]c2c1)c1ccc(F)cc1 ZINC000491406233 332206154 /nfs/dbraw/zinc/20/61/54/332206154.db2.gz MQTKHVGTDVUPFA-OAHLLOKOSA-N 1 1 279.318 3.166 20 30 CGEDMO C#C[C@H](CC)NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000491516475 332227991 /nfs/dbraw/zinc/22/79/91/332227991.db2.gz UJAYLVURUZQMMJ-UXLLHSPISA-N 1 1 262.441 3.031 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1c(C)nn(Cc2ccccc2)c1C ZINC000491545548 332234976 /nfs/dbraw/zinc/23/49/76/332234976.db2.gz QXDMGAFKLVWIQH-CQSZACIVSA-N 1 1 281.403 3.002 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1c(C)nn(Cc2ccccc2)c1C ZINC000491545548 332234978 /nfs/dbraw/zinc/23/49/78/332234978.db2.gz QXDMGAFKLVWIQH-CQSZACIVSA-N 1 1 281.403 3.002 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1C(=O)N(C)C)C1CCCCC1 ZINC000491656014 332268023 /nfs/dbraw/zinc/26/80/23/332268023.db2.gz ICGVOAMWSDSTKO-UHFFFAOYSA-N 1 1 298.430 3.156 20 30 CGEDMO C#CC(C)(C)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000491708822 332301240 /nfs/dbraw/zinc/30/12/40/332301240.db2.gz VACMJTMMGCLENL-UHFFFAOYSA-N 1 1 299.201 3.276 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000491708822 332301241 /nfs/dbraw/zinc/30/12/41/332301241.db2.gz VACMJTMMGCLENL-UHFFFAOYSA-N 1 1 299.201 3.276 20 30 CGEDMO C#C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccc(Cl)cc1F ZINC000491718145 332307399 /nfs/dbraw/zinc/30/73/99/332307399.db2.gz STVRPZPTHZUPLJ-NVBFEUDRSA-N 1 1 276.742 3.435 20 30 CGEDMO C#C[C@@H]([NH2+][C@H]1CCSC1)c1ccc(Cl)cc1F ZINC000491741371 332320295 /nfs/dbraw/zinc/32/02/95/332320295.db2.gz ZDZQRZZRSABWBB-GXFFZTMASA-N 1 1 269.772 3.249 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1cnc(-c2ccccc2)s1 ZINC000491757475 332330267 /nfs/dbraw/zinc/33/02/67/332330267.db2.gz DRTNRUXTAFFQHC-GFCCVEGCSA-N 1 1 256.374 3.264 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cnc(-c2ccccc2)s1 ZINC000491757475 332330268 /nfs/dbraw/zinc/33/02/68/332330268.db2.gz DRTNRUXTAFFQHC-GFCCVEGCSA-N 1 1 256.374 3.264 20 30 CGEDMO C=CCCCN(C)c1cc[nH+]cc1Br ZINC000220297706 333164939 /nfs/dbraw/zinc/16/49/39/333164939.db2.gz HIIODQXTJRXPNA-UHFFFAOYSA-N 1 1 255.159 3.247 20 30 CGEDMO COc1ccc(C[N@@H+](C)CC#Cc2ccccc2)cc1 ZINC000191911900 333227158 /nfs/dbraw/zinc/22/71/58/333227158.db2.gz HRBDURKLVKMPRZ-UHFFFAOYSA-N 1 1 265.356 3.179 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](CC#Cc2ccccc2)CCS1 ZINC000192049023 333228642 /nfs/dbraw/zinc/22/86/42/333228642.db2.gz GCGJSSCWIVWSMA-MRXNPFEDSA-N 1 1 259.418 3.112 20 30 CGEDMO N#CCCC1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000521997910 333229779 /nfs/dbraw/zinc/22/97/79/333229779.db2.gz ZTDMXBTXJPVQEB-UHFFFAOYSA-N 1 1 296.374 3.252 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)CCC)C1 ZINC000193327586 333247967 /nfs/dbraw/zinc/24/79/67/333247967.db2.gz STSNCGXVYNWVJV-OAHLLOKOSA-N 1 1 266.429 3.114 20 30 CGEDMO C=C(CC)C[NH2+]C1(c2noc(C)n2)CCCCCC1 ZINC000538014007 333571167 /nfs/dbraw/zinc/57/11/67/333571167.db2.gz MXXMLEFTFNWJOY-UHFFFAOYSA-N 1 1 263.385 3.483 20 30 CGEDMO CCCOc1ccc(C[NH2+]Cc2ccc(C#N)o2)cc1 ZINC000174276711 335151883 /nfs/dbraw/zinc/15/18/83/335151883.db2.gz ODZMDZIUGDBSTP-UHFFFAOYSA-N 1 1 270.332 3.230 20 30 CGEDMO C=C(CC)C[NH2+][C@H](C)c1nc(-c2ccccc2OC)no1 ZINC000541690841 333786832 /nfs/dbraw/zinc/78/68/32/333786832.db2.gz PHBZYRWVBMDSGW-GFCCVEGCSA-N 1 1 287.363 3.362 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1c(F)cccc1F ZINC000076734618 334088078 /nfs/dbraw/zinc/08/80/78/334088078.db2.gz AQKRFXFODIDYDB-LLVKDONJSA-N 1 1 282.334 3.190 20 30 CGEDMO CS[C@H]1CCCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000134551580 334095067 /nfs/dbraw/zinc/09/50/67/334095067.db2.gz UDBXFOZSUFRNGN-INIZCTEOSA-N 1 1 277.408 3.395 20 30 CGEDMO CC#CC[N@@H+](C)Cc1ccc(C)c(Br)c1 ZINC000550140923 334214108 /nfs/dbraw/zinc/21/41/08/334214108.db2.gz NHQJYYIWSRHEIX-UHFFFAOYSA-N 1 1 266.182 3.213 20 30 CGEDMO CC[C@H](CC#N)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000248391937 334299831 /nfs/dbraw/zinc/29/98/31/334299831.db2.gz DVBORSGEXKXQMJ-NCXUSEDFSA-N 1 1 297.446 3.179 20 30 CGEDMO C=CC[C@@H](C(=O)NCC[N@H+](C)[C@H](C)CC)c1ccccc1 ZINC000249589952 334337547 /nfs/dbraw/zinc/33/75/47/334337547.db2.gz VBNBCUDHUPVOSS-NVXWUHKLSA-N 1 1 288.435 3.193 20 30 CGEDMO COC1(C)CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000553385247 334381811 /nfs/dbraw/zinc/38/18/11/334381811.db2.gz SISCLYNPIAQPFE-UHFFFAOYSA-N 1 1 277.795 3.192 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cc(OC)ccc1OC(F)F ZINC000158131276 334793377 /nfs/dbraw/zinc/79/33/77/334793377.db2.gz BZFJTEUAPHPIHK-UHFFFAOYSA-N 1 1 283.318 3.471 20 30 CGEDMO CSCC[C@H](C)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000343433703 335204506 /nfs/dbraw/zinc/20/45/06/335204506.db2.gz VOULQOLOFONARY-ZDUSSCGKSA-N 1 1 262.422 3.326 20 30 CGEDMO CC[C@H]1[C@@H](C)CC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000576706808 335237996 /nfs/dbraw/zinc/23/79/96/335237996.db2.gz AHAIDSOFHQBEND-FZMZJTMJSA-N 1 1 273.336 3.087 20 30 CGEDMO C[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000576758718 335244447 /nfs/dbraw/zinc/24/44/47/335244447.db2.gz DUPGLAZBFFGRHT-WFASDCNBSA-N 1 1 287.363 3.477 20 30 CGEDMO CC[N@@H+](C)CCNc1c(C#N)cnc2c(Cl)cccc21 ZINC000577217492 335324515 /nfs/dbraw/zinc/32/45/15/335324515.db2.gz FUMBIFJLNIKPOC-UHFFFAOYSA-N 1 1 288.782 3.123 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc(Cl)c3cccnc23)CC1 ZINC000577576543 335372188 /nfs/dbraw/zinc/37/21/88/335372188.db2.gz RFIHPGUYZYMWLB-UHFFFAOYSA-N 1 1 271.751 3.282 20 30 CGEDMO CC[C@H]([NH2+]Cc1cc(C#N)ccc1OC)c1c(C)noc1C ZINC000182486983 335823554 /nfs/dbraw/zinc/82/35/54/335823554.db2.gz KLWXNFSHZYBFBH-HNNXBMFYSA-N 1 1 299.374 3.413 20 30 CGEDMO CC[C@H]([NH2+]CC#Cc1ccc(F)cc1)c1nccs1 ZINC000185049609 335944571 /nfs/dbraw/zinc/94/45/71/335944571.db2.gz RJDKWIKVCFSXAR-AWEZNQCLSA-N 1 1 274.364 3.375 20 30 CGEDMO C[C@H](c1cccnc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000194301912 336015800 /nfs/dbraw/zinc/01/58/00/336015800.db2.gz LLIVYMGNAJCAEV-CYBMUJFWSA-N 1 1 251.333 3.146 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(F)c(Br)c1 ZINC000194969017 336041283 /nfs/dbraw/zinc/04/12/83/336041283.db2.gz JLRDZNPGTFSUHZ-UHFFFAOYSA-N 1 1 258.134 3.206 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccc(Br)cc1 ZINC000194999920 336042394 /nfs/dbraw/zinc/04/23/94/336042394.db2.gz DVXFLHKFJXRLAH-UHFFFAOYSA-N 1 1 284.197 3.084 20 30 CGEDMO COC[C@@]1(C)CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000381367426 336060381 /nfs/dbraw/zinc/06/03/81/336060381.db2.gz LPTTUXIVQKMCFP-HNNXBMFYSA-N 1 1 252.402 3.065 20 30 CGEDMO CC[C@@H]1[C@H](C)CC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000384283521 336123244 /nfs/dbraw/zinc/12/32/44/336123244.db2.gz JCAKUEGJVHWMOO-RHSMWYFYSA-N 1 1 272.392 3.448 20 30 CGEDMO C[C@@H]1CC[N@@H+](CCCOc2cccc(C#N)c2)C[C@@H]1C ZINC000161844772 534031961 /nfs/dbraw/zinc/03/19/61/534031961.db2.gz ATLRKEMWZAFCOR-CABCVRRESA-N 1 1 272.392 3.305 20 30 CGEDMO Cc1cc(C[N@@H+](C[C@H](C)C#N)C2CC2)cc(C)c1O ZINC000347846717 534170240 /nfs/dbraw/zinc/17/02/40/534170240.db2.gz FLQXXMCGXBTXBP-LLVKDONJSA-N 1 1 258.365 3.133 20 30 CGEDMO Cc1cc(C[N@H+](C[C@H](C)C#N)C2CC2)cc(C)c1O ZINC000347846717 534170247 /nfs/dbraw/zinc/17/02/47/534170247.db2.gz FLQXXMCGXBTXBP-LLVKDONJSA-N 1 1 258.365 3.133 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCOc1ccc(OC)cc1 ZINC000061758743 518600606 /nfs/dbraw/zinc/60/06/06/518600606.db2.gz GTSSLWMMUDYXBD-UHFFFAOYSA-N 1 1 263.381 3.362 20 30 CGEDMO COc1cc(C[N@@H+](CC(C)C)C(C)C)ccc1C#N ZINC000234805764 522357854 /nfs/dbraw/zinc/35/78/54/522357854.db2.gz PGISFNHVPOHHFS-UHFFFAOYSA-N 1 1 260.381 3.433 20 30 CGEDMO C[N@@H+](CCNc1ccc(C(F)(F)F)c(C#N)c1)C1CC1 ZINC000163995686 522869819 /nfs/dbraw/zinc/86/98/19/522869819.db2.gz JYVXSZCUTXPXAZ-UHFFFAOYSA-N 1 1 283.297 3.083 20 30 CGEDMO C[C@H]1C[C@H](Nc2cccc(Cl)c2C#N)CC[N@H+]1C ZINC000157960690 524929769 /nfs/dbraw/zinc/92/97/69/524929769.db2.gz URCSPFBKWAXKFN-WDEREUQCSA-N 1 1 263.772 3.106 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cc2c(cc1SC)OCCO2 ZINC000353155279 526501750 /nfs/dbraw/zinc/50/17/50/526501750.db2.gz VRDYOSDZAGNFKO-UHFFFAOYSA-N 1 1 279.405 3.188 20 30 CGEDMO C=CCCC1(C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000355036132 527093959 /nfs/dbraw/zinc/09/39/59/527093959.db2.gz KFGUZJVFFYJYTK-XHSDSOJGSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[C@H](CC)NC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000347703373 527151594 /nfs/dbraw/zinc/15/15/94/527151594.db2.gz MZESELRJSSUSNY-HOTGVXAUSA-N 1 1 295.471 3.152 20 30 CGEDMO C=CCCC[N@@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000347359582 527196731 /nfs/dbraw/zinc/19/67/31/527196731.db2.gz WIFCHVGHWVNHJW-LSDHHAIUSA-N 1 1 277.433 3.453 20 30 CGEDMO CC(C)COCC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425538069 528095122 /nfs/dbraw/zinc/09/51/22/528095122.db2.gz RFANMDDUKAVKHX-CQSZACIVSA-N 1 1 260.381 3.224 20 30 CGEDMO CC[N@@H+](CC[C@H]1CCOC1)[C@H](C)c1ccc(C#N)cc1 ZINC000437577394 528587215 /nfs/dbraw/zinc/58/72/15/528587215.db2.gz JWOOYGCTUZZXBD-ZBFHGGJFSA-N 1 1 272.392 3.368 20 30 CGEDMO CCCn1cc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cn1 ZINC000425364382 528842137 /nfs/dbraw/zinc/84/21/37/528842137.db2.gz FZDUETGVQMMYPV-AWEZNQCLSA-N 1 1 282.391 3.358 20 30 CGEDMO CC(C)[C@@]1(CO)CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000354565718 528894537 /nfs/dbraw/zinc/89/45/37/528894537.db2.gz LKKDZUYHTMMDPQ-INIZCTEOSA-N 1 1 266.429 3.047 20 30 CGEDMO C=CCCC[N@H+](C)CN1C(=O)C(C)(C)[C@H]1c1ccccc1 ZINC000749956256 571733218 /nfs/dbraw/zinc/73/32/18/571733218.db2.gz UWQFVLYWSZYQJV-MRXNPFEDSA-N 1 1 286.419 3.452 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+](C)Cc1ccc(F)cc1 ZINC000730261227 572334007 /nfs/dbraw/zinc/33/40/07/572334007.db2.gz VWLDPVPVGXRLKD-UHFFFAOYSA-N 1 1 283.346 3.470 20 30 CGEDMO C=CC[N@H+](CCOCc1ccc(OC)cc1)C(C)C ZINC000731030772 572391156 /nfs/dbraw/zinc/39/11/56/572391156.db2.gz LOHPMLNDADAOTG-UHFFFAOYSA-N 1 1 263.381 3.108 20 30 CGEDMO COc1cccc(N[NH+]=Cc2ccc(N(C)C)cc2)c1 ZINC000725853099 572445877 /nfs/dbraw/zinc/44/58/77/572445877.db2.gz FDMHOPMLIQFXGD-UHFFFAOYSA-N 1 1 269.348 3.207 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@H+]2CCC[C@@H](C)C2)c1O ZINC000732408454 572463475 /nfs/dbraw/zinc/46/34/75/572463475.db2.gz AOYIWIFZJAWODI-CYBMUJFWSA-N 1 1 275.392 3.361 20 30 CGEDMO C[C@@H]1CC(N=Nc2cccc3ncccc23)CC[N@H+]1C ZINC000741459777 572499617 /nfs/dbraw/zinc/49/96/17/572499617.db2.gz HOUYSUKORKLVJF-GFCCVEGCSA-N 1 1 268.364 3.117 20 30 CGEDMO C=C(Cl)C[N@@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000726071962 572559308 /nfs/dbraw/zinc/55/93/08/572559308.db2.gz MMXXOHQSCOYOJU-UHFFFAOYSA-N 1 1 253.773 3.496 20 30 CGEDMO C=C(Cl)C[N@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000726071962 572559310 /nfs/dbraw/zinc/55/93/10/572559310.db2.gz MMXXOHQSCOYOJU-UHFFFAOYSA-N 1 1 253.773 3.496 20 30 CGEDMO Cc1ccccc1[C@H](O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000741781987 572615444 /nfs/dbraw/zinc/61/54/44/572615444.db2.gz WIBKVXLLZLQFGF-GOSISDBHSA-N 1 1 280.371 3.032 20 30 CGEDMO C#CC[N@@H+](CC)[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000746456903 572871583 /nfs/dbraw/zinc/87/15/83/572871583.db2.gz RFKOUCLRLCGYFG-SNVBAGLBSA-N 1 1 299.201 3.276 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000746456903 572871584 /nfs/dbraw/zinc/87/15/84/572871584.db2.gz RFKOUCLRLCGYFG-SNVBAGLBSA-N 1 1 299.201 3.276 20 30 CGEDMO C#CC[N@@H+](CC)[C@@H](C)C(=O)Nc1cccc2ccccc21 ZINC000746456821 572871983 /nfs/dbraw/zinc/87/19/83/572871983.db2.gz LXFHDPJOELOTMT-AWEZNQCLSA-N 1 1 280.371 3.122 20 30 CGEDMO C#CC[N@H+](CC)[C@@H](C)C(=O)Nc1cccc2ccccc21 ZINC000746456821 572871986 /nfs/dbraw/zinc/87/19/86/572871986.db2.gz LXFHDPJOELOTMT-AWEZNQCLSA-N 1 1 280.371 3.122 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](C)CCc1ccccc1F ZINC000746592042 572883619 /nfs/dbraw/zinc/88/36/19/572883619.db2.gz SUGOGORAYSAFFR-UHFFFAOYSA-N 1 1 298.361 3.380 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000746676279 572891869 /nfs/dbraw/zinc/89/18/69/572891869.db2.gz JMUNJFRZDSVMHM-HNNXBMFYSA-N 1 1 263.429 3.255 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccccc1OCC(F)(F)F ZINC000749159809 572990340 /nfs/dbraw/zinc/99/03/40/572990340.db2.gz LZJQUHCIQLMUSE-UHFFFAOYSA-N 1 1 271.282 3.083 20 30 CGEDMO C=CCC[N@H+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000749812414 573041093 /nfs/dbraw/zinc/04/10/93/573041093.db2.gz VTFQELJITUQDSY-CQSZACIVSA-N 1 1 284.444 3.434 20 30 CGEDMO C=CCCCCC[C@H](C)[NH2+]C[C@@H]1CCN(CC)C1 ZINC000793520698 629473966 /nfs/dbraw/zinc/47/39/66/629473966.db2.gz HJVSYEVJEUMBQJ-HOTGVXAUSA-N 1 1 252.446 3.443 20 30 CGEDMO CC(C)(C)[C@H]1CCC1=[NH+]n1cc(Br)cn1 ZINC000807979885 630610558 /nfs/dbraw/zinc/61/05/58/630610558.db2.gz YUFIGKFYIDMNJW-VIFPVBQESA-N 1 1 270.174 3.306 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H](C)CC(C)C ZINC000823915319 608870970 /nfs/dbraw/zinc/87/09/70/608870970.db2.gz UPCSBBQRPDQULR-AWEZNQCLSA-N 1 1 299.422 3.289 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)C2(C)CCCC2)CC1 ZINC000981709168 613251517 /nfs/dbraw/zinc/25/15/17/613251517.db2.gz XZSGNEAGHYCCOA-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)C2CC=CC2)CC1 ZINC000948259831 613256253 /nfs/dbraw/zinc/25/62/53/613256253.db2.gz AGJVENAZTWLOKX-QGZVFWFLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC2(C)C)CC1 ZINC000948306839 613256340 /nfs/dbraw/zinc/25/63/40/613256340.db2.gz QFQKAIGJHLUULN-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000963227259 613257072 /nfs/dbraw/zinc/25/70/72/613257072.db2.gz BQSBCPHNIZQUQX-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2(F)CCCC2)C1 ZINC000967063476 613269246 /nfs/dbraw/zinc/26/92/46/613269246.db2.gz RDWOJISIZJZVJC-LSDHHAIUSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2=CCCC2)C(C)(C)C1 ZINC000940673577 613270431 /nfs/dbraw/zinc/27/04/31/613270431.db2.gz PEEZTBRXTKCDDP-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)C2(F)CCCC2)C(C)(C)C1 ZINC000974745938 613273351 /nfs/dbraw/zinc/27/33/51/613273351.db2.gz NJSNEBAKNMBFOK-CQSZACIVSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)CC2CCCC2)C(C)(C)C1 ZINC000972767808 613273856 /nfs/dbraw/zinc/27/38/56/613273856.db2.gz DUSHBQJQVYMYHU-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2CCC)C(C)(C)C1 ZINC000975013092 613274296 /nfs/dbraw/zinc/27/42/96/613274296.db2.gz XZPUIGOMMOBBOQ-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)CC)C[C@@]2(C)C1 ZINC000982214575 613276208 /nfs/dbraw/zinc/27/62/08/613276208.db2.gz QJFZLMAPLSEXBV-RYQLBKOJSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)C(C)=C2CCC2)C(C)(C)C1 ZINC000974582106 613276720 /nfs/dbraw/zinc/27/67/20/613276720.db2.gz BUFSHVXTSISYDC-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)C2(C)CCCCCC2)C1 ZINC000971698470 613283129 /nfs/dbraw/zinc/28/31/29/613283129.db2.gz ZHXLCPWYKVHPMB-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)C2(C)CCCCC2)CC1 ZINC000981868053 613307951 /nfs/dbraw/zinc/30/79/51/613307951.db2.gz NLUXOVDRZHGYPJ-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)[C@H]2CCCC[C@H]2CC)CC1 ZINC000983386826 613310774 /nfs/dbraw/zinc/31/07/74/613310774.db2.gz AAUOJNDBHNREQT-SJORKVTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)c2cc(C)co2)CC1 ZINC000948697986 613315148 /nfs/dbraw/zinc/31/51/48/613315148.db2.gz VNFGVYOKWQFVFO-HNNXBMFYSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)CC2CCC(C)(C)CC2)CC1 ZINC000957957562 613316050 /nfs/dbraw/zinc/31/60/50/613316050.db2.gz OPNGJHXPAZLCMF-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc(C)c2)C1 ZINC000964841308 613325998 /nfs/dbraw/zinc/32/59/98/613325998.db2.gz YWSHTSBBPFYXPD-NVXWUHKLSA-N 1 1 286.419 3.011 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2CCC=CCC2)C[C@H]1C ZINC000948047902 613327355 /nfs/dbraw/zinc/32/73/55/613327355.db2.gz MIILPRIEGSDOKF-NVXWUHKLSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2sccc2C)C[C@H]1C ZINC000946995711 613332099 /nfs/dbraw/zinc/33/20/99/613332099.db2.gz LQNZVMMBANNGGV-ZIAGYGMSSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)CC2CCCCC2)C1 ZINC000964770919 613333939 /nfs/dbraw/zinc/33/39/39/613333939.db2.gz JNLKWWVQYOIWFE-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2sccc2C)C1 ZINC000964685439 613334571 /nfs/dbraw/zinc/33/45/71/613334571.db2.gz PECJYNNBBPURHN-GXTWGEPZSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC2(C)C)C1 ZINC000972112408 613370418 /nfs/dbraw/zinc/37/04/18/613370418.db2.gz QDWKLHHCLLYGHH-UONOGXRCSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC2(C)C)C1 ZINC000972112408 613370419 /nfs/dbraw/zinc/37/04/19/613370419.db2.gz QDWKLHHCLLYGHH-UONOGXRCSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C)C(C)(C)C1 ZINC000941177895 613375961 /nfs/dbraw/zinc/37/59/61/613375961.db2.gz QOYYMMDLXXUALK-GFCCVEGCSA-N 1 1 286.847 3.002 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C)C(C)(C)C1 ZINC000941177895 613375962 /nfs/dbraw/zinc/37/59/62/613375962.db2.gz QOYYMMDLXXUALK-GFCCVEGCSA-N 1 1 286.847 3.002 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCC)C2)C1 ZINC000961102300 613377556 /nfs/dbraw/zinc/37/75/56/613377556.db2.gz SYJHVLBGPYQJNH-LSDHHAIUSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2CC)C(C)(C)C1 ZINC000941045615 613378834 /nfs/dbraw/zinc/37/88/34/613378834.db2.gz YLHWKMIYXMZSBB-MCIONIFRSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2CC)C(C)(C)C1 ZINC000941045615 613378835 /nfs/dbraw/zinc/37/88/35/613378835.db2.gz YLHWKMIYXMZSBB-MCIONIFRSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccs2)C[C@@H]1C ZINC000947017998 613378891 /nfs/dbraw/zinc/37/88/91/613378891.db2.gz RHAOKCRVEKORCL-RYUDHWBXSA-N 1 1 298.839 3.083 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccs2)C[C@@H]1C ZINC000947017998 613378892 /nfs/dbraw/zinc/37/88/92/613378892.db2.gz RHAOKCRVEKORCL-RYUDHWBXSA-N 1 1 298.839 3.083 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CC=C(C)C)[C@H](C)C2)C1 ZINC000947702149 613401029 /nfs/dbraw/zinc/40/10/29/613401029.db2.gz KCPSCWBRBPXMES-CVEARBPZSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](CCCC)C[C@@H]2C)CC1 ZINC000942599714 613409978 /nfs/dbraw/zinc/40/99/78/613409978.db2.gz DAFLJEGGLDCMLY-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC(C[N@@H+](CC)CC2CC2)CC1 ZINC000957737541 613429451 /nfs/dbraw/zinc/42/94/51/613429451.db2.gz MIHMUFFCNILARF-UHFFFAOYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)c2ccc(C)cc2C)C1 ZINC000957351292 613479491 /nfs/dbraw/zinc/47/94/91/613479491.db2.gz YOXJCSKMEARPJF-UHFFFAOYSA-N 1 1 286.419 3.026 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)c2cc(Cl)cs2)C1 ZINC000952397026 613479816 /nfs/dbraw/zinc/47/98/16/613479816.db2.gz HZQFKLUHVSXCSQ-UHFFFAOYSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccoc1C ZINC000968745021 613490411 /nfs/dbraw/zinc/49/04/11/613490411.db2.gz TVMBDAFZQWJCGW-OAHLLOKOSA-N 1 1 290.407 3.139 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)C2(C)CC=CC2)CC1 ZINC000948746655 613499136 /nfs/dbraw/zinc/49/91/36/613499136.db2.gz HCPZMGJYJPBLAJ-MRXNPFEDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC2CC2)C1 ZINC000963246497 613500353 /nfs/dbraw/zinc/50/03/53/613500353.db2.gz IGNSWTVBDGBUOO-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=Cc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)CC(=C)C)C2)cc1 ZINC000972405100 613511549 /nfs/dbraw/zinc/51/15/49/613511549.db2.gz IPDFBPGPHXCLJR-QGZVFWFLSA-N 1 1 284.403 3.052 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)C2CCCCCC2)[C@H](C)C1 ZINC000941869255 613520128 /nfs/dbraw/zinc/52/01/28/613520128.db2.gz INCUIUUWRXXYTH-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)c(C)o2)C[C@@H]1C ZINC000947199361 613523382 /nfs/dbraw/zinc/52/33/82/613523382.db2.gz BIYTWAOYLFDKGN-DZGCQCFKSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000961271314 613528833 /nfs/dbraw/zinc/52/88/33/613528833.db2.gz KOBSCBFNKJMJBJ-HZPDHXFCSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)C2=CCCCCC2)[C@@H](C)C1 ZINC000941993701 613533957 /nfs/dbraw/zinc/53/39/57/613533957.db2.gz URESIQCHFOTEIT-RDJZCZTQSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@H+]1C[C@H](NC(=O)C[C@H]2CC=CCC2)C(C)(C)C1 ZINC000974917232 613553885 /nfs/dbraw/zinc/55/38/85/613553885.db2.gz PUXGUZSKBIRWBM-HOTGVXAUSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)CC2CCC(C)(C)CC2)C1 ZINC000980564252 613611518 /nfs/dbraw/zinc/61/15/18/613611518.db2.gz IINCFAZMGKNEIK-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)CC2CCCCC2)C1 ZINC000972456492 613632681 /nfs/dbraw/zinc/63/26/81/613632681.db2.gz AGMFCVABGHQBKK-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)C1CCC=CCC1 ZINC000969144509 613683504 /nfs/dbraw/zinc/68/35/04/613683504.db2.gz NMEHCNIGKAGUOB-QGZVFWFLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccc(Cl)o1 ZINC000968755925 613684749 /nfs/dbraw/zinc/68/47/49/613684749.db2.gz HEUXFHIKJNDIEP-GFCCVEGCSA-N 1 1 296.798 3.093 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccc(C)cc1 ZINC000969127235 613686753 /nfs/dbraw/zinc/68/67/53/613686753.db2.gz SRHPTLUBGNGEBV-KRWDZBQOSA-N 1 1 286.419 3.155 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)C2CCCCCC2)CC1 ZINC000948240882 613700337 /nfs/dbraw/zinc/70/03/37/613700337.db2.gz JWSJSQNVZVIMEI-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)C[C@@H]2CC=CCC2)CC1 ZINC000948681508 613704043 /nfs/dbraw/zinc/70/40/43/613704043.db2.gz ZFZAGPLSPJGBKF-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@]2(C)CC=CCC2)CC1 ZINC000948405365 613705132 /nfs/dbraw/zinc/70/51/32/613705132.db2.gz SPKSJUQGNVMIAE-FUHWJXTLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C(C)=C2CCCC2)C[C@H]1C ZINC000947191790 613740276 /nfs/dbraw/zinc/74/02/76/613740276.db2.gz XYSJDAQOFZIVRK-CZUORRHYSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2csc(C)c2C)C[C@@H]1C ZINC000947343041 613760557 /nfs/dbraw/zinc/76/05/57/613760557.db2.gz NKCTXSOMXIKKID-SMDDNHRTSA-N 1 1 292.448 3.134 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)c2csc(Cl)c2)[C@@H](C)C1 ZINC000943332834 613760754 /nfs/dbraw/zinc/76/07/54/613760754.db2.gz FNHVIDXJWKNTJD-CMPLNLGQSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000968609960 613773349 /nfs/dbraw/zinc/77/33/49/613773349.db2.gz MOMAWGQLJVOXCX-DZGCQCFKSA-N 1 1 298.386 3.059 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2coc3ccccc23)C1 ZINC000968702444 613775283 /nfs/dbraw/zinc/77/52/83/613775283.db2.gz MKHIKHXZDXNPSR-XJKSGUPXSA-N 1 1 298.386 3.059 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2c(C)cccc2C)C[C@@H]1C ZINC000947730638 613785682 /nfs/dbraw/zinc/78/56/82/613785682.db2.gz DVGFVMPPIZYZMI-HOTGVXAUSA-N 1 1 286.419 3.072 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cc(C)cs2)C(C)(C)C1 ZINC000940731393 613787829 /nfs/dbraw/zinc/78/78/29/613787829.db2.gz SWMOIJGHELRIPX-AWEZNQCLSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)c2ccc(C3CC3)cc2)[C@H](C)C1 ZINC000945064627 613789668 /nfs/dbraw/zinc/78/96/68/613789668.db2.gz YPYZAECXVPETGP-KDOFPFPSSA-N 1 1 298.430 3.190 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2)C[C@H]1C ZINC000947956328 613790824 /nfs/dbraw/zinc/79/08/24/613790824.db2.gz BRLGXFDMWSRGLN-DOMZBBRYSA-N 1 1 292.810 3.109 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc3occc3c2)C[C@@H]1C ZINC000947334758 613791617 /nfs/dbraw/zinc/79/16/17/613791617.db2.gz RRMQTXNUINXJOF-BBRMVZONSA-N 1 1 298.386 3.202 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)C2(C)CCCCCC2)C(C)(C)C1 ZINC000974687152 613806278 /nfs/dbraw/zinc/80/62/78/613806278.db2.gz DBCNPXJQNHSIGI-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCC=CCCC2)C(C)(C)C1 ZINC000974726367 613827457 /nfs/dbraw/zinc/82/74/57/613827457.db2.gz AJJMQGCKZJYYBW-CVEARBPZSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCCCC(=O)N1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000899512027 620704609 /nfs/dbraw/zinc/70/46/09/620704609.db2.gz PPQDMFUMQMCMAL-UHFFFAOYSA-N 1 1 275.396 3.089 20 30 CGEDMO CCCCCCCCC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000120256047 617659921 /nfs/dbraw/zinc/65/99/21/617659921.db2.gz RHHULRVZMUJUGK-OAHLLOKOSA-N 1 1 280.456 3.338 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(COc2cccc(F)c2)no1 ZINC000900011280 620745893 /nfs/dbraw/zinc/74/58/93/620745893.db2.gz AWMORZMAHCBJJY-ZDUSSCGKSA-N 1 1 291.326 3.144 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000157730793 617720956 /nfs/dbraw/zinc/72/09/56/617720956.db2.gz KWCWEBQADWTMFL-CYBMUJFWSA-N 1 1 251.757 3.237 20 30 CGEDMO C#CC[C@H](Cc1ccccc1)Nc1nc(C)[nH+]c(C)c1C ZINC000804808450 617849774 /nfs/dbraw/zinc/84/97/74/617849774.db2.gz UHVCAOOUTCQDKM-QGZVFWFLSA-N 1 1 279.387 3.448 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CCCC2)C1 ZINC001021491553 618011234 /nfs/dbraw/zinc/01/12/34/618011234.db2.gz CDSLQOYMRLJJCA-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO N#Cc1ccc(F)c(C[NH2+]Cc2ccc(F)cc2F)c1 ZINC000051017494 618191849 /nfs/dbraw/zinc/19/18/49/618191849.db2.gz RJLYMSJJCSTGEV-UHFFFAOYSA-N 1 1 276.261 3.265 20 30 CGEDMO N#Cc1cc(C[N@H+](CCCO)Cc2ccccc2)cs1 ZINC000891940324 618397041 /nfs/dbraw/zinc/39/70/41/618397041.db2.gz HXACWOJNCDTVCU-UHFFFAOYSA-N 1 1 286.400 3.004 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CCC1)c1cnn(CC2CCC2)c1 ZINC000934560499 618647389 /nfs/dbraw/zinc/64/73/89/618647389.db2.gz DIFVDKOKLHOBGY-CYBMUJFWSA-N 1 1 272.396 3.028 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(Cl)nc1 ZINC000046529449 618665756 /nfs/dbraw/zinc/66/57/56/618665756.db2.gz QABBRMJPSLJAEP-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(Cl)nc1 ZINC000046529449 618665760 /nfs/dbraw/zinc/66/57/60/618665760.db2.gz QABBRMJPSLJAEP-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)Cc2ccco2)cc1 ZINC000162151699 618740862 /nfs/dbraw/zinc/74/08/62/618740862.db2.gz JUUSJZCWYSVFCI-CYBMUJFWSA-N 1 1 270.332 3.202 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000091937539 618767007 /nfs/dbraw/zinc/76/70/07/618767007.db2.gz ARHDQCHANMUJSZ-MJBXVCDLSA-N 1 1 258.365 3.350 20 30 CGEDMO CO[C@H](C)c1nc(CO[NH+]=C(N)CCC(C)C)cs1 ZINC000177569446 618993130 /nfs/dbraw/zinc/99/31/30/618993130.db2.gz ZQHFHNDLCAGUCJ-SNVBAGLBSA-N 1 1 285.413 3.076 20 30 CGEDMO Cc1csc(CO[NH+]=C(N)C2CCCCCC2)n1 ZINC000179003440 619005684 /nfs/dbraw/zinc/00/56/84/619005684.db2.gz IDGJPFSZTCVXNP-UHFFFAOYSA-N 1 1 267.398 3.211 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@]2(C)CCC(C)=C(C)C2)C1 ZINC001009689882 619188773 /nfs/dbraw/zinc/18/87/73/619188773.db2.gz INUJKOOQCRMQFG-FUHWJXTLSA-N 1 1 290.451 3.280 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)cs1 ZINC000893654800 619271328 /nfs/dbraw/zinc/27/13/28/619271328.db2.gz WNIRYQDFFRZVHX-QGZVFWFLSA-N 1 1 296.395 3.251 20 30 CGEDMO Cc1nc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)sc1C ZINC000894100778 619373939 /nfs/dbraw/zinc/37/39/39/619373939.db2.gz AMDBZFURDBDXKF-OAHLLOKOSA-N 1 1 283.400 3.409 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)C[C@@H]1CC1(Cl)Cl ZINC000877704196 619415738 /nfs/dbraw/zinc/41/57/38/619415738.db2.gz FKLKDNWEHHSYBQ-ZDUSSCGKSA-N 1 1 283.202 3.226 20 30 CGEDMO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@H]2C2CC2)c1 ZINC000894687301 619603451 /nfs/dbraw/zinc/60/34/51/619603451.db2.gz BIZVJTDBLWMXEE-AWEZNQCLSA-N 1 1 291.192 3.305 20 30 CGEDMO N#Cc1ccc(Br)c(C[N@H+]2CC[C@H]2C2CC2)c1 ZINC000894687301 619603456 /nfs/dbraw/zinc/60/34/56/619603456.db2.gz BIZVJTDBLWMXEE-AWEZNQCLSA-N 1 1 291.192 3.305 20 30 CGEDMO C[C@H](CC(C)(C)C#N)[NH2+][C@H](CCN(C)C)C(C)(C)C ZINC000925086302 619647226 /nfs/dbraw/zinc/64/72/26/619647226.db2.gz NAGKJOWFCMCGEN-ZIAGYGMSSA-N 1 1 267.461 3.271 20 30 CGEDMO CCC(CC)C[N@@H+](CC)C[C@H](O)c1ccc(C#N)cc1 ZINC000048970467 619668757 /nfs/dbraw/zinc/66/87/57/619668757.db2.gz UKSYEHUQBUOJRQ-KRWDZBQOSA-N 1 1 274.408 3.350 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000310851433 619679816 /nfs/dbraw/zinc/67/98/16/619679816.db2.gz RAOQBOYDAPZPDO-KGLIPLIRSA-N 1 1 252.402 3.063 20 30 CGEDMO CCn1cc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c(C)n1 ZINC000895017924 619695328 /nfs/dbraw/zinc/69/53/28/619695328.db2.gz KEENKJORJQRBEQ-AWEZNQCLSA-N 1 1 282.391 3.276 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cn2ccnc2s1 ZINC000895017254 619696406 /nfs/dbraw/zinc/69/64/06/619696406.db2.gz APYCGEQYYBIPJR-LBPRGKRZSA-N 1 1 296.399 3.460 20 30 CGEDMO COc1cc(C)cc(C[N@H+]2CCC[C@H](CC#N)C2)c1OC ZINC000895227936 619785742 /nfs/dbraw/zinc/78/57/42/619785742.db2.gz GKPPEPSKIHUSPY-CQSZACIVSA-N 1 1 288.391 3.138 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](Cc2cc3c(cccc3O)s2)C1 ZINC000895334462 619806287 /nfs/dbraw/zinc/80/62/87/619806287.db2.gz INCGSPLEDLNIFF-HNNXBMFYSA-N 1 1 272.373 3.342 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](Cc2cc3c(cccc3O)s2)C1 ZINC000895334462 619806288 /nfs/dbraw/zinc/80/62/88/619806288.db2.gz INCGSPLEDLNIFF-HNNXBMFYSA-N 1 1 272.373 3.342 20 30 CGEDMO C=C(C)C[C@@H]([NH2+]C1CCC(F)(F)CC1)C(=O)OCC ZINC000895592029 619857432 /nfs/dbraw/zinc/85/74/32/619857432.db2.gz KKOFQNUYTCBJDJ-GFCCVEGCSA-N 1 1 275.339 3.052 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)cc1 ZINC000895847230 619895904 /nfs/dbraw/zinc/89/59/04/619895904.db2.gz SXUSDJBELPDGRX-IEBWSBKVSA-N 1 1 299.414 3.090 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000896506796 620018876 /nfs/dbraw/zinc/01/88/76/620018876.db2.gz YSVKOPPRPHEDPU-QGZVFWFLSA-N 1 1 283.419 3.412 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000896506796 620018880 /nfs/dbraw/zinc/01/88/80/620018880.db2.gz YSVKOPPRPHEDPU-QGZVFWFLSA-N 1 1 283.419 3.412 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000896794000 620064098 /nfs/dbraw/zinc/06/40/98/620064098.db2.gz HSKGFDCSEHLHQJ-IRXDYDNUSA-N 1 1 283.419 3.279 20 30 CGEDMO N#Cc1ccc([C@H]2CN(c3cc[nH+]cc3Cl)CCO2)cc1 ZINC000896872001 620080413 /nfs/dbraw/zinc/08/04/13/620080413.db2.gz WGHCYRZCZJOOHH-MRXNPFEDSA-N 1 1 299.761 3.185 20 30 CGEDMO C#Cc1ccc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(Cl)c1 ZINC000897136226 620150867 /nfs/dbraw/zinc/15/08/67/620150867.db2.gz MGMBJVUYLIJDQI-WCQYABFASA-N 1 1 262.784 3.216 20 30 CGEDMO C#Cc1ccc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(Cl)c1 ZINC000897136225 620150999 /nfs/dbraw/zinc/15/09/99/620150999.db2.gz MGMBJVUYLIJDQI-DGCLKSJQSA-N 1 1 262.784 3.216 20 30 CGEDMO C#CC[N@@H+](Cc1ccc2c(c1)COC(C)(C)O2)C(C)C ZINC000897170855 620155190 /nfs/dbraw/zinc/15/51/90/620155190.db2.gz JLSKOQDSIIELCC-UHFFFAOYSA-N 1 1 273.376 3.175 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@@H](C3CCOCC3)C2)c1 ZINC000897269405 620175559 /nfs/dbraw/zinc/17/55/59/620175559.db2.gz DVLHSOBBMCUBBM-OAHLLOKOSA-N 1 1 290.432 3.258 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)C[C@H]2CCC[C@H]2C)CC1 ZINC000985452581 620192013 /nfs/dbraw/zinc/19/20/13/620192013.db2.gz KJSCZFRPRYXAON-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[C@H]([NH2+][C@H](C)c1cc2n(n1)CCC2)c1ccncc1 ZINC000840723271 620205280 /nfs/dbraw/zinc/20/52/80/620205280.db2.gz PIXGVGQJHKPSAE-CJNGLKHVSA-N 1 1 282.391 3.192 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC([N@@H+](C)CC(=C)C)CC1 ZINC000985618984 620222152 /nfs/dbraw/zinc/22/21/52/620222152.db2.gz NBJDJTYFQBTGMO-QGZVFWFLSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@H]2CC(C)C)CC1 ZINC000985659708 620228063 /nfs/dbraw/zinc/22/80/63/620228063.db2.gz CHJYJLQSZOSWGS-NVXWUHKLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)[C@H]2CCCC(C)(C)C2)CC1 ZINC000985807183 620240607 /nfs/dbraw/zinc/24/06/07/620240607.db2.gz BVDPTULPAHPNQO-HNNXBMFYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1C[C@@H](O)c1c(F)cccc1F ZINC000785997437 620393844 /nfs/dbraw/zinc/39/38/44/620393844.db2.gz OHBHGWOMKHDODY-SMDDNHRTSA-N 1 1 267.319 3.039 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1C[C@@H](O)c1c(F)cccc1F ZINC000785997437 620393846 /nfs/dbraw/zinc/39/38/46/620393846.db2.gz OHBHGWOMKHDODY-SMDDNHRTSA-N 1 1 267.319 3.039 20 30 CGEDMO Cc1ccc(CCC[N@H+](C)Cc2cc(C#N)cs2)cn1 ZINC000897625056 620412553 /nfs/dbraw/zinc/41/25/53/620412553.db2.gz AXFAQCPAIIZIGG-UHFFFAOYSA-N 1 1 285.416 3.388 20 30 CGEDMO N#Cc1csc(C[NH2+][C@H]2CCCNc3ccccc32)n1 ZINC000897629592 620414349 /nfs/dbraw/zinc/41/43/49/620414349.db2.gz MIDYLMBNPAKMSF-AWEZNQCLSA-N 1 1 284.388 3.051 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC=CCC3)CCC[C@@H]12 ZINC000989945687 620533235 /nfs/dbraw/zinc/53/32/35/620533235.db2.gz PFXBSAURKLXPGF-JFIYKMOQSA-N 1 1 288.435 3.032 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)CC3=CCCCC3)CCC[C@H]12 ZINC000990054046 620535484 /nfs/dbraw/zinc/53/54/84/620535484.db2.gz ITMLNYIHNGKQQL-WMZOPIPTSA-N 1 1 288.435 3.176 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)C(C)=C3CCCC3)CCC[C@H]12 ZINC000990194265 620538295 /nfs/dbraw/zinc/53/82/95/620538295.db2.gz ROQAFSPRAFZMJY-WMZOPIPTSA-N 1 1 288.435 3.176 20 30 CGEDMO Cc1ccc(C[NH2+][C@@H](C)c2cn3c(n2)CCCC3)cc1C#N ZINC000926959403 620555306 /nfs/dbraw/zinc/55/53/06/620555306.db2.gz BQJNTQVTTJEFIV-AWEZNQCLSA-N 1 1 294.402 3.250 20 30 CGEDMO CCc1onc(C)c1C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000927138183 620598967 /nfs/dbraw/zinc/59/89/67/620598967.db2.gz DCZCITRIXBLKDM-JTQLQIEISA-N 1 1 287.338 3.407 20 30 CGEDMO Cc1ccccc1[C@@H]1CCC[N@@H+]1CCO[C@@H](C)C#N ZINC000801912931 621303418 /nfs/dbraw/zinc/30/34/18/621303418.db2.gz JBXWDYHMKFAINI-HOCLYGCPSA-N 1 1 258.365 3.061 20 30 CGEDMO Cc1[nH+]ccn1CCSCC1CCC(C#N)CC1 ZINC000902565602 621368678 /nfs/dbraw/zinc/36/86/78/621368678.db2.gz HJAPTLSYCREVQZ-UHFFFAOYSA-N 1 1 263.410 3.255 20 30 CGEDMO CC[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cccc(C#N)c1 ZINC000902742162 621421656 /nfs/dbraw/zinc/42/16/56/621421656.db2.gz KZFIZTWRVZQUJA-QAPCUYQASA-N 1 1 283.419 3.083 20 30 CGEDMO C[C@@H](Nc1cc(C2CC2)cc[nH+]1)c1cc(C#N)ccn1 ZINC000902997060 621521912 /nfs/dbraw/zinc/52/19/12/621521912.db2.gz RAHAEVAZPVCSCO-LLVKDONJSA-N 1 1 264.332 3.399 20 30 CGEDMO CC[C@@H]([NH2+][C@@H](c1nncn1C)C(C)C)c1ccc(C#N)cc1 ZINC000903067246 621552926 /nfs/dbraw/zinc/55/29/26/621552926.db2.gz ZONDRQLNRKZQRP-HZPDHXFCSA-N 1 1 297.406 3.125 20 30 CGEDMO Cc1cc(C)c2c(c1)[C@H]([NH2+]CC1(C#N)CC1)CCCO2 ZINC000903105651 621577980 /nfs/dbraw/zinc/57/79/80/621577980.db2.gz GRDIQAFPWISDIF-OAHLLOKOSA-N 1 1 270.376 3.411 20 30 CGEDMO Cc1cc2ncc([C@H](C)[NH2+]CC3(C#N)CCCC3)c(C)n2n1 ZINC000903108392 621581478 /nfs/dbraw/zinc/58/14/78/621581478.db2.gz BPNHHROFLHVUCS-ZDUSSCGKSA-N 1 1 297.406 3.081 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000903108572 621581605 /nfs/dbraw/zinc/58/16/05/621581605.db2.gz DLBRWVJZIHHQJY-CQSZACIVSA-N 1 1 299.418 3.123 20 30 CGEDMO CCc1cccnc1[C@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000903109857 621584019 /nfs/dbraw/zinc/58/40/19/621584019.db2.gz WRXZFBUAXINFAC-ZDUSSCGKSA-N 1 1 257.381 3.379 20 30 CGEDMO CC[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccsc1 ZINC000903263577 621648443 /nfs/dbraw/zinc/64/84/43/621648443.db2.gz OGAYPBAKUHKAMO-LLVKDONJSA-N 1 1 263.391 3.317 20 30 CGEDMO C[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1cncs1 ZINC000903304717 621679298 /nfs/dbraw/zinc/67/92/98/621679298.db2.gz CPIKPYKUVBQBSD-UWVGGRQHSA-N 1 1 273.361 3.132 20 30 CGEDMO N#CC1(CCCCN2CC[NH2+]CCC23CCC3)CCC1 ZINC000903782255 621806834 /nfs/dbraw/zinc/80/68/34/621806834.db2.gz IGHIPAWBBKUPEF-UHFFFAOYSA-N 1 1 275.440 3.069 20 30 CGEDMO N#CC1(CCCC[N@@H+]2CCNCCC23CCC3)CCC1 ZINC000903782255 621806836 /nfs/dbraw/zinc/80/68/36/621806836.db2.gz IGHIPAWBBKUPEF-UHFFFAOYSA-N 1 1 275.440 3.069 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCNCCC23CCC3)CCC1 ZINC000903782255 621806839 /nfs/dbraw/zinc/80/68/39/621806839.db2.gz IGHIPAWBBKUPEF-UHFFFAOYSA-N 1 1 275.440 3.069 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1cccc2c1NCC2 ZINC000904469145 621924914 /nfs/dbraw/zinc/92/49/14/621924914.db2.gz INFFWXYZKNNCDE-UHFFFAOYSA-N 1 1 283.400 3.220 20 30 CGEDMO CCCCCCCC[C@H]([NH3+])c1nc(Cn2cccn2)no1 ZINC000904555935 621930261 /nfs/dbraw/zinc/93/02/61/621930261.db2.gz ABMCTVAKDNEQJJ-ZDUSSCGKSA-N 1 1 291.399 3.065 20 30 CGEDMO CCCCCCCC[C@H]([NH3+])c1nc(-c2ccncn2)no1 ZINC000904710633 621961089 /nfs/dbraw/zinc/96/10/89/621961089.db2.gz AATCXPAKEVRJQL-LBPRGKRZSA-N 1 1 289.383 3.277 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccc(SC)cn2)no1 ZINC000904735105 621968579 /nfs/dbraw/zinc/96/85/79/621968579.db2.gz FSRWQHUDMUWMAG-NSHDSACASA-N 1 1 290.392 3.210 20 30 CGEDMO Brc1cnn([NH+]=C2C[C@@H]3CCC[C@H]3C2)c1 ZINC000905456992 622077960 /nfs/dbraw/zinc/07/79/60/622077960.db2.gz QGRZZGVXASSUQK-IUCAKERBSA-N 1 1 268.158 3.060 20 30 CGEDMO C=C(Br)C[NH+]1CCC(c2cccnc2)CC1 ZINC000768754145 625547012 /nfs/dbraw/zinc/54/70/12/625547012.db2.gz PYUWTQOADZPIHF-UHFFFAOYSA-N 1 1 281.197 3.170 20 30 CGEDMO CC(C)CC(N)=[NH+]OCc1ncc(-c2ccccc2)o1 ZINC000151254017 622755998 /nfs/dbraw/zinc/75/59/98/622755998.db2.gz XURVENSWCDGJRO-UHFFFAOYSA-N 1 1 273.336 3.177 20 30 CGEDMO CCCCCCCC[N@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000157796135 622952264 /nfs/dbraw/zinc/95/22/64/622952264.db2.gz KVYVHLIXVUAUDI-OAHLLOKOSA-N 1 1 268.445 3.324 20 30 CGEDMO CCCCCCCC[NH+]1CCN(CC2CCOCC2)CC1 ZINC000172658846 623269857 /nfs/dbraw/zinc/26/98/57/623269857.db2.gz LFFCHYQVBIKLIZ-UHFFFAOYSA-N 1 1 296.499 3.391 20 30 CGEDMO CC1(C)CCC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000063063708 623290580 /nfs/dbraw/zinc/29/05/80/623290580.db2.gz XGNVXTITKGLJMD-UHFFFAOYSA-N 1 1 258.365 3.202 20 30 CGEDMO CCC(CC)C[N@H+](CCC#N)C[C@H](O)c1ccccc1 ZINC000173554261 623330588 /nfs/dbraw/zinc/33/05/88/623330588.db2.gz WYRDVFKFEMFNBN-KRWDZBQOSA-N 1 1 274.408 3.372 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)C[C@H](O)c1ccccc1 ZINC000173554261 623330595 /nfs/dbraw/zinc/33/05/95/623330595.db2.gz WYRDVFKFEMFNBN-KRWDZBQOSA-N 1 1 274.408 3.372 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC(C)(C)C3)CCC[C@@H]12 ZINC000992164603 623457823 /nfs/dbraw/zinc/45/78/23/623457823.db2.gz YMFGVLVJDAGXAW-HDMKZQKVSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992164606 623458973 /nfs/dbraw/zinc/45/89/73/623458973.db2.gz YMFGVLVJDAGXAW-RLFYNMQTSA-N 1 1 290.451 3.112 20 30 CGEDMO C#CC[N@H+](Cc1c(C)onc1CC)C1CCCCC1 ZINC000757826180 623484360 /nfs/dbraw/zinc/48/43/60/623484360.db2.gz ACHORYAWWYBVPJ-UHFFFAOYSA-N 1 1 260.381 3.313 20 30 CGEDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1cncc(C#N)c1 ZINC000929653864 623495601 /nfs/dbraw/zinc/49/56/01/623495601.db2.gz HSLRMKOQWQMTFM-RDTXWAMCSA-N 1 1 277.371 3.331 20 30 CGEDMO CC[C@]1(C)CC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000758742149 623512732 /nfs/dbraw/zinc/51/27/32/623512732.db2.gz ULGBXSJEBVROCL-MRXNPFEDSA-N 1 1 258.365 3.211 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)[C@@H](C)c3ccccc3)CCC[C@H]12 ZINC000992429656 623554970 /nfs/dbraw/zinc/55/49/70/623554970.db2.gz MQVLUYWMXZJLSQ-IEZWGBDMSA-N 1 1 298.430 3.089 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3cccc(C)c3C)CCC[C@@H]12 ZINC000992468732 623581009 /nfs/dbraw/zinc/58/10/09/623581009.db2.gz QQMYHERQGAWKLW-MJGOQNOKSA-N 1 1 298.430 3.216 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)C3CCC=CCC3)CCC[C@H]12 ZINC000992492836 623602313 /nfs/dbraw/zinc/60/23/13/623602313.db2.gz HYECTCIPIUZTQE-WMZOPIPTSA-N 1 1 288.435 3.032 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C)c2)[C@H]1C ZINC000992987726 623771456 /nfs/dbraw/zinc/77/14/56/623771456.db2.gz QUNVWTHLLQQQKF-WBVHZDCISA-N 1 1 286.419 3.154 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C3CC3)s2)C1 ZINC001015990492 625679298 /nfs/dbraw/zinc/67/92/98/625679298.db2.gz KWEHRAWQIHSPCT-CYBMUJFWSA-N 1 1 290.432 3.006 20 30 CGEDMO COc1cccc(O)c1/C=N/C[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000915271155 623936440 /nfs/dbraw/zinc/93/64/40/623936440.db2.gz LURRVXRAFZSKKK-WOHQBKTFSA-N 1 1 290.407 3.083 20 30 CGEDMO C#Cc1cccc(NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)c1 ZINC000915358927 623957367 /nfs/dbraw/zinc/95/73/67/623957367.db2.gz QYXNRXLOWFQLGB-LSDHHAIUSA-N 1 1 299.418 3.052 20 30 CGEDMO CCCOc1ncccc1C[NH2+]Cc1csc(C#N)c1 ZINC000921591852 625688932 /nfs/dbraw/zinc/68/89/32/625688932.db2.gz JXGPRXGCNRCNLP-UHFFFAOYSA-N 1 1 287.388 3.093 20 30 CGEDMO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)[NH2+]Cc1csc(C#N)c1 ZINC000921589575 625693444 /nfs/dbraw/zinc/69/34/44/625693444.db2.gz MWWYHJUFTNQLMZ-MCIONIFRSA-N 1 1 291.464 3.076 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C2CCC3(CC3)CC2)[C@@H]1C ZINC000993613995 624055589 /nfs/dbraw/zinc/05/55/89/624055589.db2.gz LSQGPWNIWQBIED-HOCLYGCPSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](CCCC)[C@H]2C)C1 ZINC000993795492 624064097 /nfs/dbraw/zinc/06/40/97/624064097.db2.gz XTVURKCAELJWSV-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C2(F)CCCCC2)[C@H]1C ZINC000994155606 624069901 /nfs/dbraw/zinc/06/99/01/624069901.db2.gz DZDFWFUUSFMCCD-HUUCEWRRSA-N 1 1 296.430 3.204 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@@H]1C ZINC000994251569 624129381 /nfs/dbraw/zinc/12/93/81/624129381.db2.gz NAHVRPLKYGGWMB-LUKYLMHMSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2Cl)[C@@H]1C ZINC000994275203 624196791 /nfs/dbraw/zinc/19/67/91/624196791.db2.gz HWKSOHHVJWCBDS-SWLSCSKDSA-N 1 1 292.810 3.109 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)c(C)s2)[C@H]1C ZINC000994369303 624206668 /nfs/dbraw/zinc/20/66/68/624206668.db2.gz XLKACPCWBICRLT-OCCSQVGLSA-N 1 1 292.448 3.134 20 30 CGEDMO C#CC[N@H+](Cc1ccc(Br)cc1)C1CC1 ZINC000917008313 624227396 /nfs/dbraw/zinc/22/73/96/624227396.db2.gz PARHZKYLQSQUDH-UHFFFAOYSA-N 1 1 264.166 3.047 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(-n2cccn2)cc1)C(C)C ZINC000917070806 624234330 /nfs/dbraw/zinc/23/43/30/624234330.db2.gz FVICTURRAIBXPJ-UHFFFAOYSA-N 1 1 255.365 3.269 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2CC)[C@H]1C ZINC000994483824 624240055 /nfs/dbraw/zinc/24/00/55/624240055.db2.gz IFNZWHGXEBDEMV-TZMCWYRMSA-N 1 1 292.448 3.079 20 30 CGEDMO CCCCCCC[C@@H](C)CNC(=O)N1CC[NH+](CC)CC1 ZINC000918135785 624336786 /nfs/dbraw/zinc/33/67/86/624336786.db2.gz KZXMQBVFBAUVPM-MRXNPFEDSA-N 1 1 297.487 3.330 20 30 CGEDMO CC#CC[N@H+](Cc1ccccc1)C[C@@H](O)c1ccsc1 ZINC000154803410 624373614 /nfs/dbraw/zinc/37/36/14/624373614.db2.gz ZJZFHOXWKFDCLC-QGZVFWFLSA-N 1 1 285.412 3.307 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000175685172 624653195 /nfs/dbraw/zinc/65/31/95/624653195.db2.gz RVMURVTYEASUNX-UHFFFAOYSA-N 1 1 265.328 3.132 20 30 CGEDMO C=CCCC[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000175685172 624653199 /nfs/dbraw/zinc/65/31/99/624653199.db2.gz RVMURVTYEASUNX-UHFFFAOYSA-N 1 1 265.328 3.132 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000175685172 624653204 /nfs/dbraw/zinc/65/32/04/624653204.db2.gz RVMURVTYEASUNX-UHFFFAOYSA-N 1 1 265.328 3.132 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cc(=O)oc2cc(C)c(C)cc12 ZINC000181274887 624839361 /nfs/dbraw/zinc/83/93/61/624839361.db2.gz WMXVJVMDHBFFHK-UHFFFAOYSA-N 1 1 271.360 3.418 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2coc(C)c2)CC1 ZINC000997981791 625778658 /nfs/dbraw/zinc/77/86/58/625778658.db2.gz ISDPKQPIUDGBHX-MRXNPFEDSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2CC)CC1 ZINC000998122470 625790423 /nfs/dbraw/zinc/79/04/23/625790423.db2.gz XFSPDRRSWDOGAO-IXDOHACOSA-N 1 1 292.467 3.312 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000921818567 625888800 /nfs/dbraw/zinc/88/88/00/625888800.db2.gz QCUOCPVLMSJKMB-IRXDYDNUSA-N 1 1 285.435 3.138 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[C@@H](C)C2)CC1 ZINC001001111557 625890569 /nfs/dbraw/zinc/89/05/69/625890569.db2.gz RQYHRAXEGKUTPQ-WBVHZDCISA-N 1 1 290.451 3.137 20 30 CGEDMO C[C@H](COCC1CCCCC1)[NH2+]Cc1nc(C#N)cs1 ZINC000922602526 626019201 /nfs/dbraw/zinc/01/92/01/626019201.db2.gz LXLPJVYTYXUFIZ-GFCCVEGCSA-N 1 1 293.436 3.090 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C)CC)CC1 ZINC001004335628 626040313 /nfs/dbraw/zinc/04/03/13/626040313.db2.gz DAUHEJHKWGILIA-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C(F)=C(C)C)CC1 ZINC001004399628 626047404 /nfs/dbraw/zinc/04/74/04/626047404.db2.gz IYMNVXQMDAQJHG-OAHLLOKOSA-N 1 1 294.414 3.139 20 30 CGEDMO N#Cc1ccccc1CN1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923508812 626160087 /nfs/dbraw/zinc/16/00/87/626160087.db2.gz WKDDEWRUSSHKPX-INIZCTEOSA-N 1 1 297.446 3.160 20 30 CGEDMO C=C(Cl)CN1CCC[C@H]([N@@H+](C)CC(=C)Cl)CC1 ZINC000839529345 626362966 /nfs/dbraw/zinc/36/29/66/626362966.db2.gz VCWNPMKAGUJXSF-ZDUSSCGKSA-N 1 1 277.239 3.278 20 30 CGEDMO C=C(Cl)CN(C)[C@H]1CCC[N@H+](CC(=C)Cl)CC1 ZINC000839529345 626362967 /nfs/dbraw/zinc/36/29/67/626362967.db2.gz VCWNPMKAGUJXSF-ZDUSSCGKSA-N 1 1 277.239 3.278 20 30 CGEDMO C=C(Cl)CN(C)[C@H]1CCC[N@@H+](CC(=C)Cl)CC1 ZINC000839529345 626362968 /nfs/dbraw/zinc/36/29/68/626362968.db2.gz VCWNPMKAGUJXSF-ZDUSSCGKSA-N 1 1 277.239 3.278 20 30 CGEDMO Cc1ccc(N=NC2C[N@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000751527375 626394196 /nfs/dbraw/zinc/39/41/96/626394196.db2.gz WWTVYAJDKFTABK-HNNXBMFYSA-N 1 1 294.402 3.310 20 30 CGEDMO Cc1cc(N=NC2C[N@H+](C)C[C@H]2C)ccc1Br ZINC000752165784 626420693 /nfs/dbraw/zinc/42/06/93/626420693.db2.gz YYWHJWSCQIXADT-SNVBAGLBSA-N 1 1 296.212 3.107 20 30 CGEDMO CC(C)[N@@H+]1CC(N=Nc2cc(F)cc(F)c2)[C@@H](C)C1 ZINC000754262167 626565455 /nfs/dbraw/zinc/56/54/55/626565455.db2.gz ZINFTJLIWHHQKB-JTQLQIEISA-N 1 1 267.323 3.093 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@H+]2CC[C@@H](C)[C@@H]2C)c1O ZINC000754736087 626585353 /nfs/dbraw/zinc/58/53/53/626585353.db2.gz FTHFWXGLLVWJEL-OLZOCXBDSA-N 1 1 275.392 3.360 20 30 CGEDMO CCc1cccc(OCC[N@H+](CCC#N)CC(C)C)c1 ZINC000755671756 626636289 /nfs/dbraw/zinc/63/62/89/626636289.db2.gz XWOFGKMJUYLARE-UHFFFAOYSA-N 1 1 274.408 3.499 20 30 CGEDMO CCc1cccc(OCC[N@@H+](CCC#N)CC(C)C)c1 ZINC000755671756 626636293 /nfs/dbraw/zinc/63/62/93/626636293.db2.gz XWOFGKMJUYLARE-UHFFFAOYSA-N 1 1 274.408 3.499 20 30 CGEDMO C#CC[C@@H]([NH2+]Cc1nn(C)c2ccccc12)c1ccccc1 ZINC000756995245 626745640 /nfs/dbraw/zinc/74/56/40/626745640.db2.gz FKSWMMXJVCYZSU-QGZVFWFLSA-N 1 1 289.382 3.428 20 30 CGEDMO C=CCC[N@H+](C)Cc1cccc(C(=O)C(F)(F)F)c1 ZINC000839575838 626762489 /nfs/dbraw/zinc/76/24/89/626762489.db2.gz KGYJTESNEFMURK-UHFFFAOYSA-N 1 1 271.282 3.440 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)CCC(=O)Nc1ccc(Cl)cc1 ZINC000839579975 626762665 /nfs/dbraw/zinc/76/26/65/626762665.db2.gz DDHVPBDNKVRKHK-UHFFFAOYSA-N 1 1 278.783 3.012 20 30 CGEDMO C[C@H]1CC(N=Nc2ccccn2)C[N@H+]1Cc1ccccc1 ZINC000757561667 626788582 /nfs/dbraw/zinc/78/85/82/626788582.db2.gz XWUTYESLZRAMJD-AWEZNQCLSA-N 1 1 280.375 3.144 20 30 CGEDMO CC(=[NH+]NCc1cc(F)ccc1F)c1ccc(N)cc1C ZINC000758108410 626827662 /nfs/dbraw/zinc/82/76/62/626827662.db2.gz UCQIFUUNFZLPPA-UHFFFAOYSA-N 1 1 289.329 3.369 20 30 CGEDMO C#CCC[N@H+](CC)Cc1ccccc1Br ZINC000760819968 626993844 /nfs/dbraw/zinc/99/38/44/626993844.db2.gz MJPHDYOSFJVYID-UHFFFAOYSA-N 1 1 266.182 3.294 20 30 CGEDMO C#CCC[N@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000760857313 626997109 /nfs/dbraw/zinc/99/71/09/626997109.db2.gz NCJIZJFYGJANLY-UHFFFAOYSA-N 1 1 293.410 3.484 20 30 CGEDMO C[C@@H]1CC(N=Nc2ccccc2C(F)(F)F)C[N@H+]1C ZINC000761795372 627060832 /nfs/dbraw/zinc/06/08/32/627060832.db2.gz ZLBCVPGAHSLAAO-SECBINFHSA-N 1 1 271.286 3.197 20 30 CGEDMO CCCCCCCC(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000762703337 627120894 /nfs/dbraw/zinc/12/08/94/627120894.db2.gz CNKGBPIUOKIJKO-UHFFFAOYSA-N 1 1 266.429 3.115 20 30 CGEDMO C#CC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1C)C1CC1 ZINC000764677722 627217788 /nfs/dbraw/zinc/21/77/88/627217788.db2.gz SBSPCVYYHPQGMB-UHFFFAOYSA-N 1 1 279.387 3.087 20 30 CGEDMO C#CC[N@H+](Cc1c(C)nn(-c2ccccc2)c1C)C1CC1 ZINC000764677722 627217790 /nfs/dbraw/zinc/21/77/90/627217790.db2.gz SBSPCVYYHPQGMB-UHFFFAOYSA-N 1 1 279.387 3.087 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OC)c(O[C@@H](C)CC)c1)C1CC1 ZINC000764676050 627217862 /nfs/dbraw/zinc/21/78/62/627217862.db2.gz DXRZWFLOLFSMGP-AWEZNQCLSA-N 1 1 287.403 3.470 20 30 CGEDMO C#CCCC[N@H+](CCC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000766896147 627367497 /nfs/dbraw/zinc/36/74/97/627367497.db2.gz QJZFLMJSYBCMAL-HNNXBMFYSA-N 1 1 294.439 3.121 20 30 CGEDMO C#CCCC[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000766895411 627367795 /nfs/dbraw/zinc/36/77/95/627367795.db2.gz KUQMSJOXDZLCED-LSDHHAIUSA-N 1 1 298.213 3.297 20 30 CGEDMO C#CCCC[N@@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000766904127 627369382 /nfs/dbraw/zinc/36/93/82/627369382.db2.gz WUVFMFUHGZOBNM-AEFFLSMTSA-N 1 1 271.404 3.479 20 30 CGEDMO C[C@@H]1CC(=NOCC(F)F)C[N@H+](Cc2ccccc2)C1 ZINC000767393998 627405060 /nfs/dbraw/zinc/40/50/60/627405060.db2.gz MVEHLNACKBYHQT-GFCCVEGCSA-N 1 1 282.334 3.166 20 30 CGEDMO CC(C)C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCC#N ZINC000768154468 627464004 /nfs/dbraw/zinc/46/40/04/627464004.db2.gz UDKLRPMMKJEMKJ-YVMONPNESA-N 1 1 287.363 3.480 20 30 CGEDMO CC(C)C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCC#N ZINC000768154468 627464007 /nfs/dbraw/zinc/46/40/07/627464007.db2.gz UDKLRPMMKJEMKJ-YVMONPNESA-N 1 1 287.363 3.480 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2C[C@@H](C)OC[C@H]2CC)cc1 ZINC000768172460 627465877 /nfs/dbraw/zinc/46/58/77/627465877.db2.gz PSCWJSNANOMQSW-NVXWUHKLSA-N 1 1 287.403 3.088 20 30 CGEDMO N#Cc1ccc(C[N@@H+](CCc2ccccc2)C2CC2)o1 ZINC000768252838 627471043 /nfs/dbraw/zinc/47/10/43/627471043.db2.gz SNXMSDBPGFEECL-UHFFFAOYSA-N 1 1 266.344 3.358 20 30 CGEDMO CC(C)[C@H](C)[N@@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000768269965 627471856 /nfs/dbraw/zinc/47/18/56/627471856.db2.gz STADKMHAAGDEEJ-KGLIPLIRSA-N 1 1 260.381 3.454 20 30 CGEDMO C#CCOc1ccc(C[N@H+](CC)C2CCCC2)cc1 ZINC000768335354 627474066 /nfs/dbraw/zinc/47/40/66/627474066.db2.gz MFYNQFIVMYFNFG-UHFFFAOYSA-N 1 1 257.377 3.463 20 30 CGEDMO C=CC[N@H+](Cc1cc(OC)cc2c1O[C@@H](C)C2)C(C)C ZINC000768548104 627485786 /nfs/dbraw/zinc/48/57/86/627485786.db2.gz WSUNSSHQGBWPSU-ZDUSSCGKSA-N 1 1 275.392 3.415 20 30 CGEDMO CC[C@@H]1CCC[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000769010747 627516762 /nfs/dbraw/zinc/51/67/62/627516762.db2.gz VISMLIPKAWYMEP-MRXNPFEDSA-N 1 1 271.408 3.411 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)cc1 ZINC000769142359 627525364 /nfs/dbraw/zinc/52/53/64/627525364.db2.gz WCBRYILFXPJWLT-OKILXGFUSA-N 1 1 275.417 3.024 20 30 CGEDMO C#CC[N@H+](Cc1cnc2nc(C)cc(C)n12)C1CCCCC1 ZINC000769145611 627525822 /nfs/dbraw/zinc/52/58/22/627525822.db2.gz JKNJGSBFBTZZDT-UHFFFAOYSA-N 1 1 296.418 3.114 20 30 CGEDMO C#CC[N@H+](Cc1cnc2cccc(C)n12)C1CCCCC1 ZINC000769146236 627525974 /nfs/dbraw/zinc/52/59/74/627525974.db2.gz PQLJTGOBQUIKBP-UHFFFAOYSA-N 1 1 281.403 3.411 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CCC[C@H]1C1CC1 ZINC000769329608 627542263 /nfs/dbraw/zinc/54/22/63/627542263.db2.gz MFMDVOAIXSESOQ-INIZCTEOSA-N 1 1 255.361 3.073 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCS[C@@H](CC)C2)cc1 ZINC000769447717 627553692 /nfs/dbraw/zinc/55/36/92/627553692.db2.gz WJYMVOAMEQJKOU-INIZCTEOSA-N 1 1 275.417 3.026 20 30 CGEDMO CCN(CC)c1ccc(C=[NH+]NCC(F)(F)F)cc1 ZINC000769825923 627582377 /nfs/dbraw/zinc/58/23/77/627582377.db2.gz YWHSQKKRPYORSN-UHFFFAOYSA-N 1 1 273.302 3.019 20 30 CGEDMO C[C@H]1C[N@H+](C2CC2)CC1N=Nc1c(F)cccc1Cl ZINC000769831339 627582781 /nfs/dbraw/zinc/58/27/81/627582781.db2.gz ZKHDENSYQWFVIM-VIFPVBQESA-N 1 1 281.762 3.361 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000769960984 627592658 /nfs/dbraw/zinc/59/26/58/627592658.db2.gz JUDTULNUHGPOMZ-LLVKDONJSA-N 1 1 271.282 3.038 20 30 CGEDMO CC(C)[C@@H]1CC[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000770307157 627612627 /nfs/dbraw/zinc/61/26/27/627612627.db2.gz QTRAQMXAXYIGAD-GDBMZVCRSA-N 1 1 272.392 3.455 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1ccc(C(C)C)cc1)C1CC1 ZINC000772380367 627788906 /nfs/dbraw/zinc/78/89/06/627788906.db2.gz DSVFYDRWZRKAQG-UHFFFAOYSA-N 1 1 272.392 3.399 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1ccc(C(C)C)cc1)C1CC1 ZINC000772380367 627788910 /nfs/dbraw/zinc/78/89/10/627788910.db2.gz DSVFYDRWZRKAQG-UHFFFAOYSA-N 1 1 272.392 3.399 20 30 CGEDMO C=C(CC)C[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000773474608 627888359 /nfs/dbraw/zinc/88/83/59/627888359.db2.gz USCLQIAHIGEOIO-UONOGXRCSA-N 1 1 282.428 3.188 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1sc2nc(C)nc(C)c2c1C ZINC000775184682 628070755 /nfs/dbraw/zinc/07/07/55/628070755.db2.gz XMUZNVARFLLKPU-SECBINFHSA-N 1 1 273.405 3.070 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1cnc(C2CCCC2)s1)[C@H]1CCCO1 ZINC000775340573 628083523 /nfs/dbraw/zinc/08/35/23/628083523.db2.gz HTXCLQQPGZEJPD-HUUCEWRRSA-N 1 1 290.432 3.071 20 30 CGEDMO C#C[C@H]([NH2+]Cc1ccc(-c2ccccc2F)o1)[C@H]1CCCO1 ZINC000775342420 628084624 /nfs/dbraw/zinc/08/46/24/628084624.db2.gz QZMLGQGYFNKCAC-FUHWJXTLSA-N 1 1 299.345 3.356 20 30 CGEDMO C#C[C@H]([NH2+]Cc1ccc(-c2ccccc2)o1)[C@@H]1CCCO1 ZINC000775342382 628084758 /nfs/dbraw/zinc/08/47/58/628084758.db2.gz QSCGJKFJHFOCEJ-WMZOPIPTSA-N 1 1 281.355 3.217 20 30 CGEDMO CC(C)C[N@H+](CCC#N)Cc1cn(C)nc1-c1ccccc1 ZINC000775643962 628118464 /nfs/dbraw/zinc/11/84/64/628118464.db2.gz WLQCSFMEXXVJJK-UHFFFAOYSA-N 1 1 296.418 3.459 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)Cc1cn(C)nc1-c1ccccc1 ZINC000775643962 628118466 /nfs/dbraw/zinc/11/84/66/628118466.db2.gz WLQCSFMEXXVJJK-UHFFFAOYSA-N 1 1 296.418 3.459 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000778981165 628380764 /nfs/dbraw/zinc/38/07/64/628380764.db2.gz MQVYDDVNTIVBBU-ZIAGYGMSSA-N 1 1 282.428 3.188 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)cc1 ZINC000779151232 628391251 /nfs/dbraw/zinc/39/12/51/628391251.db2.gz VWQOBJXSLLMJBH-YOEHRIQHSA-N 1 1 275.367 3.269 20 30 CGEDMO Clc1ccc(C=NNc2cc[nH+]cc2)cc1Cl ZINC000779809488 628434020 /nfs/dbraw/zinc/43/40/20/628434020.db2.gz JXVXVTKUUVLRSA-UHFFFAOYSA-N 1 1 266.131 3.256 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C[C@H]1CCc2ccccc21)C1CC1 ZINC000780302544 628480477 /nfs/dbraw/zinc/48/04/77/628480477.db2.gz QATJNNJNMNMPNU-UKRRQHHQSA-N 1 1 254.377 3.340 20 30 CGEDMO C=C(Br)C[N@@H+]1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000782502031 628650887 /nfs/dbraw/zinc/65/08/87/628650887.db2.gz DPCBZQQGKRIOLJ-DLOVCJGASA-N 1 1 258.203 3.406 20 30 CGEDMO C#CC[N@H+](Cc1ccc2nc(C)ccc2c1)C1CC1 ZINC000783676682 628738559 /nfs/dbraw/zinc/73/85/59/628738559.db2.gz IRKDGGDCMYDNCL-UHFFFAOYSA-N 1 1 250.345 3.141 20 30 CGEDMO C=C[C@](C)(CC)C(=O)OCC[C@@H]1CCCC[N@H+]1C ZINC000785770862 628887452 /nfs/dbraw/zinc/88/74/52/628887452.db2.gz YSDLUWVQJXMUGX-DZGCQCFKSA-N 1 1 253.386 3.006 20 30 CGEDMO C=C[C@](C)(CC)COC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000786530763 628946508 /nfs/dbraw/zinc/94/65/08/628946508.db2.gz SFLDRGUVHFZFJF-DZGCQCFKSA-N 1 1 253.386 3.006 20 30 CGEDMO C=C[C@](C)(CC)COC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000786530763 628946509 /nfs/dbraw/zinc/94/65/09/628946509.db2.gz SFLDRGUVHFZFJF-DZGCQCFKSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CCCC[N@H+](C)CN1C[C@@H](CC(C)(C)C)CC1=O ZINC000787218774 629002823 /nfs/dbraw/zinc/00/28/23/629002823.db2.gz CTHJEWBQNYPXIB-CQSZACIVSA-N 1 1 266.429 3.127 20 30 CGEDMO C#Cc1ccc(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000787770726 629028816 /nfs/dbraw/zinc/02/88/16/629028816.db2.gz VFGQVMICADMLBY-HXUWFJFHSA-N 1 1 290.410 3.157 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)cc1 ZINC000787770726 629028822 /nfs/dbraw/zinc/02/88/22/629028822.db2.gz VFGQVMICADMLBY-HXUWFJFHSA-N 1 1 290.410 3.157 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)[C@H]2CCc3ccccc32)n1 ZINC000789325383 629124934 /nfs/dbraw/zinc/12/49/34/629124934.db2.gz DPTDNWGGZHQHJE-SFHVURJKSA-N 1 1 279.387 3.026 20 30 CGEDMO CC(C)C[N@H+](CCC#N)Cc1ccc(-c2cc[nH]n2)o1 ZINC000789720779 629164893 /nfs/dbraw/zinc/16/48/93/629164893.db2.gz FAPBPFAOZZIQOK-UHFFFAOYSA-N 1 1 272.352 3.041 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc(-c2cc[nH]n2)o1 ZINC000789720779 629164896 /nfs/dbraw/zinc/16/48/96/629164896.db2.gz FAPBPFAOZZIQOK-UHFFFAOYSA-N 1 1 272.352 3.041 20 30 CGEDMO CC[C@H](C)NN=C1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000790181307 629189051 /nfs/dbraw/zinc/18/90/51/629189051.db2.gz COSYTTVKPFNCDL-GJZGRUSLSA-N 1 1 273.424 3.273 20 30 CGEDMO CC[C@H](C)NN=C1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000790181307 629189056 /nfs/dbraw/zinc/18/90/56/629189056.db2.gz COSYTTVKPFNCDL-GJZGRUSLSA-N 1 1 273.424 3.273 20 30 CGEDMO Cc1cccnc1N=NC1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000790187048 629191060 /nfs/dbraw/zinc/19/10/60/629191060.db2.gz SLTGSHPTGWAKPW-OAHLLOKOSA-N 1 1 294.402 3.310 20 30 CGEDMO CC[C@@H](C)NN=C1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000790187541 629191213 /nfs/dbraw/zinc/19/12/13/629191213.db2.gz FXZZMYUKXAERTM-LSDHHAIUSA-N 1 1 273.424 3.273 20 30 CGEDMO CC[C@@H](C)NN=C1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000790187541 629191216 /nfs/dbraw/zinc/19/12/16/629191216.db2.gz FXZZMYUKXAERTM-LSDHHAIUSA-N 1 1 273.424 3.273 20 30 CGEDMO CC[C@@H](C)NN=C1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000790187777 629191225 /nfs/dbraw/zinc/19/12/25/629191225.db2.gz HFNWPDROBGUVRR-KGLIPLIRSA-N 1 1 259.397 3.025 20 30 CGEDMO CC[C@@H](C)NN=C1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000790187777 629191228 /nfs/dbraw/zinc/19/12/28/629191228.db2.gz HFNWPDROBGUVRR-KGLIPLIRSA-N 1 1 259.397 3.025 20 30 CGEDMO C=CC[N@H+](Cc1ncc(Br)cc1F)C(C)C ZINC000862223619 629325384 /nfs/dbraw/zinc/32/53/84/629325384.db2.gz JRFHEGYYKBAHMY-UHFFFAOYSA-N 1 1 287.176 3.380 20 30 CGEDMO C=CC[N@@H+](Cc1ncc(Br)cc1F)C(C)C ZINC000862223619 629325390 /nfs/dbraw/zinc/32/53/90/629325390.db2.gz JRFHEGYYKBAHMY-UHFFFAOYSA-N 1 1 287.176 3.380 20 30 CGEDMO N#CCC1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792174265 629344742 /nfs/dbraw/zinc/34/47/42/629344742.db2.gz PHBSIBQKHNDKBN-UHFFFAOYSA-N 1 1 282.746 3.310 20 30 CGEDMO C=CCC[N@H+](C)Cc1c(O)cccc1Br ZINC000862338311 629345290 /nfs/dbraw/zinc/34/52/90/629345290.db2.gz PGIXSTDYRRTMGZ-UHFFFAOYSA-N 1 1 270.170 3.163 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cc(OCC)c(OC)cc2F)C1 ZINC000862402356 629363419 /nfs/dbraw/zinc/36/34/19/629363419.db2.gz LRBVKRRHENOHNJ-ZDUSSCGKSA-N 1 1 291.366 3.078 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(OCC)c(OC)cc2F)C1 ZINC000862402356 629363427 /nfs/dbraw/zinc/36/34/27/629363427.db2.gz LRBVKRRHENOHNJ-ZDUSSCGKSA-N 1 1 291.366 3.078 20 30 CGEDMO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H](CC#N)C2)cc1F ZINC000862408213 629364509 /nfs/dbraw/zinc/36/45/09/629364509.db2.gz XRGBDJXXXAQZPW-GFCCVEGCSA-N 1 1 293.361 3.156 20 30 CGEDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@H](CC#N)C2)cc1F ZINC000862408213 629364511 /nfs/dbraw/zinc/36/45/11/629364511.db2.gz XRGBDJXXXAQZPW-GFCCVEGCSA-N 1 1 293.361 3.156 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cnc(Cl)c(C)c2)C1 ZINC000862441585 629374136 /nfs/dbraw/zinc/37/41/36/629374136.db2.gz UBHGJAPTRLXVTB-LBPRGKRZSA-N 1 1 250.773 3.441 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cccc(OCCC)c2)C1 ZINC000862442650 629375847 /nfs/dbraw/zinc/37/58/47/629375847.db2.gz FCBJYRBJCJZYHM-HNNXBMFYSA-N 1 1 257.377 3.321 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000862443508 629376421 /nfs/dbraw/zinc/37/64/21/629376421.db2.gz QCUIJNNQWYQNPE-APWZRJJASA-N 1 1 299.414 3.090 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2nccc3ccccc32)C1 ZINC000862445595 629380216 /nfs/dbraw/zinc/38/02/16/629380216.db2.gz XSJJSESEMUTRKE-CQSZACIVSA-N 1 1 250.345 3.080 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2cc3ccncc3s2)C1 ZINC000862448445 629380543 /nfs/dbraw/zinc/38/05/43/629380543.db2.gz YVRYGSLVTSGXQU-LBPRGKRZSA-N 1 1 256.374 3.142 20 30 CGEDMO CC[C@@H](C)CON=C1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000793159913 629419146 /nfs/dbraw/zinc/41/91/46/629419146.db2.gz RRSUIINVCAKIHM-CABCVRRESA-N 1 1 289.423 3.342 20 30 CGEDMO C=CCCCCC[C@@H](C)[NH2+]C[C@H]1CCCN(C)C1 ZINC000793539722 629479816 /nfs/dbraw/zinc/47/98/16/629479816.db2.gz GVLIPTFZXSCDPA-HZPDHXFCSA-N 1 1 252.446 3.443 20 30 CGEDMO C#CCC(C)(C)C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000794221603 629524081 /nfs/dbraw/zinc/52/40/81/629524081.db2.gz KEFRNCKEYMBOFP-UHFFFAOYSA-N 1 1 292.810 3.390 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1cc(-c2ccc(OC)cc2)no1 ZINC000794575268 629559150 /nfs/dbraw/zinc/55/91/50/629559150.db2.gz WJSGQEBRYUZSSU-UHFFFAOYSA-N 1 1 284.359 3.194 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@@H]2CN(C)C[C@H]21 ZINC000794950565 629605013 /nfs/dbraw/zinc/60/50/13/629605013.db2.gz YXKOLMSGBNIAJT-HZPDHXFCSA-N 1 1 252.446 3.373 20 30 CGEDMO COCCCON=C1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000795055851 629629232 /nfs/dbraw/zinc/62/92/32/629629232.db2.gz QAJGJVPMCSZXNB-HNNXBMFYSA-N 1 1 290.407 3.080 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795098470 629630890 /nfs/dbraw/zinc/63/08/90/629630890.db2.gz JOQBFLHGBHCBDJ-HUUCEWRRSA-N 1 1 294.439 3.284 20 30 CGEDMO CC(C)C[N@H+](CCC#N)CCCc1ccc2c(c1)CCO2 ZINC000795861791 629721762 /nfs/dbraw/zinc/72/17/62/629721762.db2.gz WMEQBADZRZNDLV-UHFFFAOYSA-N 1 1 286.419 3.426 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H]1c1nc(C)no1 ZINC000796696558 629815957 /nfs/dbraw/zinc/81/59/57/629815957.db2.gz SPNUOBRIUYLASY-CYBMUJFWSA-N 1 1 251.374 3.485 20 30 CGEDMO C=CCC[C@H](NCC[N@H+]1CCC[C@@H]1C)c1ccco1 ZINC000796785302 629833354 /nfs/dbraw/zinc/83/33/54/629833354.db2.gz XBZXQVFBAQPPHT-GJZGRUSLSA-N 1 1 262.397 3.361 20 30 CGEDMO C=CCC[C@H](NCC[N@@H+]1CCC[C@@H]1C)c1ccco1 ZINC000796785302 629833357 /nfs/dbraw/zinc/83/33/57/629833357.db2.gz XBZXQVFBAQPPHT-GJZGRUSLSA-N 1 1 262.397 3.361 20 30 CGEDMO CCCCCCC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21 ZINC000796856943 629849484 /nfs/dbraw/zinc/84/94/84/629849484.db2.gz OMSSDWKKDHMKCA-OAGGEKHMSA-N 1 1 252.446 3.419 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@@](C)(C(=O)NC)C1 ZINC000797525132 629956737 /nfs/dbraw/zinc/95/67/37/629956737.db2.gz BWULRLNBXQOFQT-MRXNPFEDSA-N 1 1 268.445 3.195 20 30 CGEDMO C[C@@H](CC#N)NN=C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000797786273 629982159 /nfs/dbraw/zinc/98/21/59/629982159.db2.gz OGFJWNDIWPDGGC-BUSXIPJBSA-N 1 1 298.434 3.309 20 30 CGEDMO CCCCCCCC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000120490672 630061352 /nfs/dbraw/zinc/06/13/52/630061352.db2.gz JWUDPYMJJHYUQJ-LSDHHAIUSA-N 1 1 268.445 3.146 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc2c[nH]nc2c1 ZINC000120527333 630101952 /nfs/dbraw/zinc/10/19/52/630101952.db2.gz KRLPJLDWGNESEV-UHFFFAOYSA-N 1 1 293.345 3.337 20 30 CGEDMO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccc2c[nH]nc2c1 ZINC000120527333 630101960 /nfs/dbraw/zinc/10/19/60/630101960.db2.gz KRLPJLDWGNESEV-UHFFFAOYSA-N 1 1 293.345 3.337 20 30 CGEDMO C=CC[N@H+](C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000798951869 630128260 /nfs/dbraw/zinc/12/82/60/630128260.db2.gz MWRBQCGNBPUNJR-QGZVFWFLSA-N 1 1 294.439 3.284 20 30 CGEDMO C#CC[N@@H+](CCCCC1CCOCC1)C1CCCC1 ZINC000799127804 630149268 /nfs/dbraw/zinc/14/92/68/630149268.db2.gz JJIZPBHZTXSGPJ-UHFFFAOYSA-N 1 1 263.425 3.461 20 30 CGEDMO C=C(C)COCC[NH2+]Cc1c(Cl)cncc1Cl ZINC000865494302 630153703 /nfs/dbraw/zinc/15/37/03/630153703.db2.gz ZIBOOIMGACUKGU-UHFFFAOYSA-N 1 1 275.179 3.071 20 30 CGEDMO C#CCC[N@H+](CCC)[C@H](C)CC(=O)Nc1ccccc1 ZINC000800466904 630282935 /nfs/dbraw/zinc/28/29/35/630282935.db2.gz JLUNBACTQIWMEC-OAHLLOKOSA-N 1 1 272.392 3.139 20 30 CGEDMO Cc1ccc(C)c([C@H](C)[N@H+](C)CCO[C@H](C)C#N)c1 ZINC000801914268 630364951 /nfs/dbraw/zinc/36/49/51/630364951.db2.gz VRCLVUINWBLOPO-CABCVRRESA-N 1 1 260.381 3.225 20 30 CGEDMO CC[N@@H+](CCO[C@H](C)C#N)Cc1cccc(Cl)c1 ZINC000801913956 630365016 /nfs/dbraw/zinc/36/50/16/630365016.db2.gz CUIYILYMYJYLEO-GFCCVEGCSA-N 1 1 266.772 3.091 20 30 CGEDMO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](CCO[C@H](C)C#N)C1 ZINC000801922787 630366721 /nfs/dbraw/zinc/36/67/21/630366721.db2.gz OPTSAWHKDYNBKH-BZUAXINKSA-N 1 1 272.392 3.102 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CC[C@@](C)(CCc2ccccc2)C1 ZINC000801926640 630368885 /nfs/dbraw/zinc/36/88/85/630368885.db2.gz UGIFJAMDEPZTJT-FUHWJXTLSA-N 1 1 286.419 3.260 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCCC[C@H]1CCc1ccccc1 ZINC000801935522 630369939 /nfs/dbraw/zinc/36/99/39/630369939.db2.gz GMQFTIQJKLEZLB-WMZOPIPTSA-N 1 1 286.419 3.402 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@]1(C)Cc1ccccc1 ZINC000801941964 630371990 /nfs/dbraw/zinc/37/19/90/630371990.db2.gz DGUZURRHSWQSGL-NVXWUHKLSA-N 1 1 272.392 3.012 20 30 CGEDMO C=CC[N@@H+](Cc1c(C)nn(-c2ccccn2)c1C)C(C)C ZINC000802638448 630400292 /nfs/dbraw/zinc/40/02/92/630400292.db2.gz ODPLHHIOEREUBZ-UHFFFAOYSA-N 1 1 284.407 3.281 20 30 CGEDMO C#CC[N@H+](C[C@H](O)C(C)(C)C)[C@@H]1CCc2ccccc21 ZINC000808711840 630668838 /nfs/dbraw/zinc/66/88/38/630668838.db2.gz UABUXRAMUUJNGZ-SJORKVTESA-N 1 1 271.404 3.016 20 30 CGEDMO C=C(Br)C[NH2+][C@H](C)c1cnc(C)s1 ZINC000126968903 635418866 /nfs/dbraw/zinc/41/88/66/635418866.db2.gz ZLTPQZAHNPJJJE-SSDOTTSWSA-N 1 1 261.188 3.011 20 30 CGEDMO C[C@H](c1ccc(Cl)cc1Cl)[N@H+](C)C[C@H](O)CC#N ZINC000809571338 630752021 /nfs/dbraw/zinc/75/20/21/630752021.db2.gz OIYVXRQXILYMQD-MWLCHTKSSA-N 1 1 287.190 3.261 20 30 CGEDMO C[C@H](c1ccc(Cl)cc1Cl)[N@@H+](C)C[C@H](O)CC#N ZINC000809571338 630752025 /nfs/dbraw/zinc/75/20/25/630752025.db2.gz OIYVXRQXILYMQD-MWLCHTKSSA-N 1 1 287.190 3.261 20 30 CGEDMO N#CC[C@@H](O)C[N@H+]1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000809577010 630753031 /nfs/dbraw/zinc/75/30/31/630753031.db2.gz IZAOCXQDLYGOFQ-QAZIKRLUSA-N 1 1 284.403 3.219 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)cc1 ZINC000809594902 630755917 /nfs/dbraw/zinc/75/59/17/630755917.db2.gz CMGBSQRARJHJGZ-QUCCMNQESA-N 1 1 294.442 3.117 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)cc1 ZINC000809594902 630755920 /nfs/dbraw/zinc/75/59/20/630755920.db2.gz CMGBSQRARJHJGZ-QUCCMNQESA-N 1 1 294.442 3.117 20 30 CGEDMO C#Cc1ccc(CNc2ccc(C)[nH+]c2N(C)C)cc1 ZINC000809630154 630768054 /nfs/dbraw/zinc/76/80/54/630768054.db2.gz NMZABZBAKBLYTL-UHFFFAOYSA-N 1 1 265.360 3.049 20 30 CGEDMO C#C[C@@H](CC)NCC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000809686181 630781640 /nfs/dbraw/zinc/78/16/40/630781640.db2.gz YJPBJIHISFTBDJ-KRWDZBQOSA-N 1 1 272.436 3.146 20 30 CGEDMO C#C[C@@H](CC)NCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000809686181 630781645 /nfs/dbraw/zinc/78/16/45/630781645.db2.gz YJPBJIHISFTBDJ-KRWDZBQOSA-N 1 1 272.436 3.146 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCCc3occc3C2)cc1 ZINC000809792299 630811934 /nfs/dbraw/zinc/81/19/34/630811934.db2.gz QHFNMJVCGMGTMC-UHFFFAOYSA-N 1 1 251.329 3.209 20 30 CGEDMO C=C[C@@H](CC(=O)O[C@H](C)Cn1cc[nH+]c1C)c1ccccc1 ZINC000810617626 630906687 /nfs/dbraw/zinc/90/66/87/630906687.db2.gz CIZAFSVHSZPWIU-ZBFHGGJFSA-N 1 1 298.386 3.483 20 30 CGEDMO C#CCCCCC[N@H+]1Cc2ccc(C(C)=O)cc2C1 ZINC000878709530 635611893 /nfs/dbraw/zinc/61/18/93/635611893.db2.gz NZKJTFVVTBXNNN-UHFFFAOYSA-N 1 1 255.361 3.398 20 30 CGEDMO C#CCCCCC[N@@H+]1Cc2ccc(C(C)=O)cc2C1 ZINC000878709530 635611898 /nfs/dbraw/zinc/61/18/98/635611898.db2.gz NZKJTFVVTBXNNN-UHFFFAOYSA-N 1 1 255.361 3.398 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CC1=NOC1CCC1 ZINC000812237830 631228474 /nfs/dbraw/zinc/22/84/74/631228474.db2.gz FLHAPKCLPZMECU-CQSZACIVSA-N 1 1 272.392 3.454 20 30 CGEDMO C#C[C@H](Nc1cc(CC)[nH+]c(C)n1)c1ccc(F)cc1 ZINC000812486457 631267328 /nfs/dbraw/zinc/26/73/28/631267328.db2.gz PXNVJNBVRFPHSO-HNNXBMFYSA-N 1 1 269.323 3.273 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000812835881 631322757 /nfs/dbraw/zinc/32/27/57/631322757.db2.gz YDGVIMQKFSDRJG-CQSZACIVSA-N 1 1 282.428 3.188 20 30 CGEDMO C#CC[N@@H+](CCC[C@@H]1CCO1)[C@@H]1CCc2ccccc21 ZINC000876513691 634849933 /nfs/dbraw/zinc/84/99/33/634849933.db2.gz OUYVJJUCHUUBGP-SJLPKXTDSA-N 1 1 269.388 3.178 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CCC1=NOCCC1CC1 ZINC000814245797 631559469 /nfs/dbraw/zinc/55/94/69/631559469.db2.gz IOZSVFSTCBDGEO-CQSZACIVSA-N 1 1 287.407 3.096 20 30 CGEDMO C#CC[N@@H+](CCC1CCOCC1)[C@@H]1CCc2ccccc21 ZINC000814619351 631613742 /nfs/dbraw/zinc/61/37/42/631613742.db2.gz MOYNHFNCILRGRD-LJQANCHMSA-N 1 1 283.415 3.426 20 30 CGEDMO CC(=[NH+]NCc1ccccc1)c1cc(F)c(N)c(F)c1 ZINC000814751555 631633297 /nfs/dbraw/zinc/63/32/97/631633297.db2.gz NQDNRIMNEQVFEX-UHFFFAOYSA-N 1 1 275.302 3.061 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000815008806 631704238 /nfs/dbraw/zinc/70/42/38/631704238.db2.gz OSEAHJBYYWSXES-OAHLLOKOSA-N 1 1 295.810 3.386 20 30 CGEDMO C#CC[N@@H+](C)CCCN[C@@H](c1cc(F)ccc1F)C(C)C ZINC000815651948 631814266 /nfs/dbraw/zinc/81/42/66/631814266.db2.gz JQNABLHLAGVMAG-QGZVFWFLSA-N 1 1 294.389 3.207 20 30 CGEDMO C#CC[N@H+](C)CCCN[C@@H](c1cc(F)ccc1F)C(C)C ZINC000815651948 631814269 /nfs/dbraw/zinc/81/42/69/631814269.db2.gz JQNABLHLAGVMAG-QGZVFWFLSA-N 1 1 294.389 3.207 20 30 CGEDMO C=CCC(F)(F)C(=O)O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000815953357 631842797 /nfs/dbraw/zinc/84/27/97/631842797.db2.gz PTYAOMIFLPCWGX-AWEZNQCLSA-N 1 1 295.329 3.016 20 30 CGEDMO C#CC[N@@H+](Cc1cccc(O)c1Cl)C1CCCC1 ZINC000816517139 632001792 /nfs/dbraw/zinc/00/17/92/632001792.db2.gz FPDMVZFGNZGHMA-UHFFFAOYSA-N 1 1 263.768 3.423 20 30 CGEDMO C#CC[N@H+](Cc1cccc(O)c1Cl)C1CCCC1 ZINC000816517139 632001797 /nfs/dbraw/zinc/00/17/97/632001797.db2.gz FPDMVZFGNZGHMA-UHFFFAOYSA-N 1 1 263.768 3.423 20 30 CGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CC[C@@H](C3CCCC3)C2)cc1 ZINC000817283368 632116107 /nfs/dbraw/zinc/11/61/07/632116107.db2.gz UBEUSHVXKOBRGZ-QZTJIDSGSA-N 1 1 284.403 3.104 20 30 CGEDMO C[C@@H](N[NH+]=C1CCCCc2ccc(N)cc21)C(F)(F)F ZINC000817330477 632123838 /nfs/dbraw/zinc/12/38/38/632123838.db2.gz NCTXOYZYIJJUKE-SECBINFHSA-N 1 1 285.313 3.240 20 30 CGEDMO C#CCOc1ccc([C@H](C)NC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000817955585 632250186 /nfs/dbraw/zinc/25/01/86/632250186.db2.gz ZLXBYIISTFNQTH-HNAYVOBHSA-N 1 1 294.398 3.049 20 30 CGEDMO C=C(C)C(C)(C)C(=O)OCCCCn1cc[nH+]c1C ZINC000821448816 632777452 /nfs/dbraw/zinc/77/74/52/632777452.db2.gz ZPVQJLMHWDAUOH-UHFFFAOYSA-N 1 1 264.369 3.117 20 30 CGEDMO C=CC[N@@H+](C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2)C(C)C ZINC000823408617 633100012 /nfs/dbraw/zinc/10/00/12/633100012.db2.gz NYWUXRVSDFPUJO-RHSMWYFYSA-N 1 1 294.439 3.140 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]Cc1cc(C2CC2)nn1C ZINC000823871299 633162857 /nfs/dbraw/zinc/16/28/57/633162857.db2.gz GGOGOLSSVUNGTD-UHFFFAOYSA-N 1 1 297.402 3.152 20 30 CGEDMO C#CC[N@H+](Cc1cc2cc(Cl)cnc2o1)C1CC1 ZINC000824172506 633208339 /nfs/dbraw/zinc/20/83/39/633208339.db2.gz PHRVVOSBTDUMIH-UHFFFAOYSA-N 1 1 260.724 3.079 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](O)c1ccc(Cl)cc1 ZINC000121159629 633217742 /nfs/dbraw/zinc/21/77/42/633217742.db2.gz GOHDWTRTUUPEIL-CQSZACIVSA-N 1 1 253.773 3.271 20 30 CGEDMO CCn1nc(C)c(C[NH2+][C@@H](CCCC#N)c2ccccc2)n1 ZINC000824434523 633245071 /nfs/dbraw/zinc/24/50/71/633245071.db2.gz RAPCDQQNYFOJKO-INIZCTEOSA-N 1 1 297.406 3.131 20 30 CGEDMO C#CC[N@H+](Cc1cc(C(F)(F)F)nn1C)C1CCCCC1 ZINC000824632435 633266449 /nfs/dbraw/zinc/26/64/49/633266449.db2.gz JUKWJHJRMJWCGB-UHFFFAOYSA-N 1 1 299.340 3.207 20 30 CGEDMO CCCCCCCCNC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000868439862 633323832 /nfs/dbraw/zinc/32/38/32/633323832.db2.gz YHKFVDGPGSAEGS-HOTGVXAUSA-N 1 1 295.471 3.083 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@H](CF)C2)cc1 ZINC000880299434 635969547 /nfs/dbraw/zinc/96/95/47/635969547.db2.gz SURZUFHABRUKBI-CQSZACIVSA-N 1 1 260.356 3.279 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1cc(COC)cs1)c1ccc(F)cc1 ZINC000825954827 633391825 /nfs/dbraw/zinc/39/18/25/633391825.db2.gz BGGSFJTZYLHASU-MRXNPFEDSA-N 1 1 289.375 3.498 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)cc1 ZINC000826538742 633412969 /nfs/dbraw/zinc/41/29/69/633412969.db2.gz JGEDOSNVOSOQGT-QRTARXTBSA-N 1 1 270.376 3.352 20 30 CGEDMO C=CCCO[C@H](C)C(=O)OCc1c(C)cc(C)[nH+]c1C ZINC000869370303 633435690 /nfs/dbraw/zinc/43/56/90/633435690.db2.gz LUIDDMYXURYKMA-CQSZACIVSA-N 1 1 277.364 3.031 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CCCCC1 ZINC000827247908 633475437 /nfs/dbraw/zinc/47/54/37/633475437.db2.gz YWAGWAWLVBZCEB-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+](C[C@@H]1CN(C2CCCCC2)C(=O)O1)C(C)C ZINC000827799291 633518077 /nfs/dbraw/zinc/51/80/77/633518077.db2.gz QBUPMEVCQMMWNS-OAHLLOKOSA-N 1 1 280.412 3.036 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1cnc(C2CCCC2)s1 ZINC000827823220 633522680 /nfs/dbraw/zinc/52/26/80/633522680.db2.gz LFLJBGZQIMJICJ-UHFFFAOYSA-N 1 1 292.448 3.272 20 30 CGEDMO CC(C)CC(=O)CC[N@H+](CCC#N)CC(C)(C)C ZINC000827936664 633536799 /nfs/dbraw/zinc/53/67/99/633536799.db2.gz SGRPCQROLLGYEE-UHFFFAOYSA-N 1 1 252.402 3.253 20 30 CGEDMO CC(C)CC(=O)CC[N@@H+](CCC#N)CC(C)(C)C ZINC000827936664 633536801 /nfs/dbraw/zinc/53/68/01/633536801.db2.gz SGRPCQROLLGYEE-UHFFFAOYSA-N 1 1 252.402 3.253 20 30 CGEDMO C=CCCCC[N@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C ZINC000828292484 633602510 /nfs/dbraw/zinc/60/25/10/633602510.db2.gz DCCKKSYTDVCNRY-ZDUSSCGKSA-N 1 1 270.417 3.188 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CCC1)c1ccc2c(c1)OCCCO2 ZINC000828663766 633640640 /nfs/dbraw/zinc/64/06/40/633640640.db2.gz NJNRCDNTKLDWQZ-CYBMUJFWSA-N 1 1 286.375 3.192 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2nnc(-c3ccccc3)s2)C1 ZINC000829810043 633792406 /nfs/dbraw/zinc/79/24/06/633792406.db2.gz KXSOZYRJLXOHAK-AWEZNQCLSA-N 1 1 297.427 3.440 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](C[C@@H](OC)c2ccccc2)C1 ZINC000829815473 633796571 /nfs/dbraw/zinc/79/65/71/633796571.db2.gz MMDRMLXUZKXCHV-NVXWUHKLSA-N 1 1 257.377 3.109 20 30 CGEDMO C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000829975795 633814541 /nfs/dbraw/zinc/81/45/41/633814541.db2.gz TXWJIBFSHBQPID-RISCZKNCSA-N 1 1 298.308 3.117 20 30 CGEDMO C=C(C)CN1CCC([NH2+][C@H](C)c2cc(O)ccc2F)CC1 ZINC000872034520 633952582 /nfs/dbraw/zinc/95/25/82/633952582.db2.gz PJXUGDZPQBEMCI-CYBMUJFWSA-N 1 1 292.398 3.222 20 30 CGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ccccc2CC)no1 ZINC000872173944 634077631 /nfs/dbraw/zinc/07/76/31/634077631.db2.gz YBESXZLWYCJZSA-GFCCVEGCSA-N 1 1 277.755 3.441 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](O)c1ccccc1Br ZINC000832679802 634080973 /nfs/dbraw/zinc/08/09/73/634080973.db2.gz KMDILAPMOKEYIQ-CQSZACIVSA-N 1 1 298.224 3.381 20 30 CGEDMO C=CC(C)(C)CCCNC(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000872927976 634222152 /nfs/dbraw/zinc/22/21/52/634222152.db2.gz ZDJXCEROGQXNRA-OAHLLOKOSA-N 1 1 295.471 3.008 20 30 CGEDMO CC(C)c1ccc(N[NH2+]C2=CC(=O)N3CCCC[C@H]23)cc1 ZINC000835018405 634319286 /nfs/dbraw/zinc/31/92/86/634319286.db2.gz NKWGEPBAROLEMF-MRXNPFEDSA-N 1 1 285.391 3.363 20 30 CGEDMO C[C@@H]1CCC[N@H+](Cc2cc(C#N)cnc2Cl)CC1 ZINC000876642993 634874285 /nfs/dbraw/zinc/87/42/85/634874285.db2.gz QPONXERDGLSGJA-LLVKDONJSA-N 1 1 263.772 3.229 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2cc(C#N)cnc2Cl)CC1 ZINC000876642993 634874287 /nfs/dbraw/zinc/87/42/87/634874287.db2.gz QPONXERDGLSGJA-LLVKDONJSA-N 1 1 263.772 3.229 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000876732337 634888303 /nfs/dbraw/zinc/88/83/03/634888303.db2.gz ZNTXGIRHTKGGRI-OAHLLOKOSA-N 1 1 261.365 3.237 20 30 CGEDMO C#CCCCCCC[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000876732337 634888307 /nfs/dbraw/zinc/88/83/07/634888307.db2.gz ZNTXGIRHTKGGRI-OAHLLOKOSA-N 1 1 261.365 3.237 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCCC3(CCCC3)C2)n1 ZINC000877462020 635046001 /nfs/dbraw/zinc/04/60/01/635046001.db2.gz JVJMSDSPVGDOQK-UHFFFAOYSA-N 1 1 255.365 3.109 20 30 CGEDMO C#CCCCCCC[N@@H+](CCO)Cc1cccnc1Cl ZINC000877492964 635059338 /nfs/dbraw/zinc/05/93/38/635059338.db2.gz ZDCOYVWJOOTNOM-UHFFFAOYSA-N 1 1 294.826 3.113 20 30 CGEDMO C#CCCCCCC[N@H+](CCO)Cc1cccnc1Cl ZINC000877492964 635059345 /nfs/dbraw/zinc/05/93/45/635059345.db2.gz ZDCOYVWJOOTNOM-UHFFFAOYSA-N 1 1 294.826 3.113 20 30 CGEDMO C#CCCCCCC[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000877501734 635063357 /nfs/dbraw/zinc/06/33/57/635063357.db2.gz SYRPXOBWBMXUDP-INIZCTEOSA-N 1 1 256.393 3.455 20 30 CGEDMO C#CCCCCCC[NH2+]CCc1ccc2cn[nH]c2c1 ZINC000877506843 635065155 /nfs/dbraw/zinc/06/51/55/635065155.db2.gz FYTMGJYVXRQLGV-UHFFFAOYSA-N 1 1 269.392 3.279 20 30 CGEDMO N#Cc1cnc(Cl)c(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC000877652919 635132323 /nfs/dbraw/zinc/13/23/23/635132323.db2.gz QCYYFUHLQOZRPV-OLZOCXBDSA-N 1 1 293.823 3.077 20 30 CGEDMO CC(C)n1ccnc1C[N@H+](C)CCc1cccc(C#N)c1 ZINC000877704832 635157322 /nfs/dbraw/zinc/15/73/22/635157322.db2.gz NNSMMLWXGDGBED-UHFFFAOYSA-N 1 1 282.391 3.010 20 30 CGEDMO CC(C)n1ccnc1C[N@@H+](C)CCc1cccc(C#N)c1 ZINC000877704832 635157324 /nfs/dbraw/zinc/15/73/24/635157324.db2.gz NNSMMLWXGDGBED-UHFFFAOYSA-N 1 1 282.391 3.010 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3CC[C@H]4CSC[C@H]4C3)cc2)CC1 ZINC000877737600 635170469 /nfs/dbraw/zinc/17/04/69/635170469.db2.gz JSISNVQXBQVUIV-JKSUJKDBSA-N 1 1 298.455 3.427 20 30 CGEDMO C[C@@H](C#N)CNN=C1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000841633512 635202472 /nfs/dbraw/zinc/20/24/72/635202472.db2.gz OSWBHCMXGRVRJM-KBXCAEBGSA-N 1 1 296.418 3.091 20 30 CGEDMO C1C[NH+]=C(N=NC2CCCCCCCCCCC2)N1 ZINC000841661678 635209049 /nfs/dbraw/zinc/20/90/49/635209049.db2.gz NVEAIXRGJJGVHQ-UHFFFAOYSA-N 1 1 264.417 3.196 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000877810506 635213948 /nfs/dbraw/zinc/21/39/48/635213948.db2.gz HYFIBHZRRBTLCA-CJNGLKHVSA-N 1 1 276.355 3.219 20 30 CGEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)CCC(C)C)c1ccccc1 ZINC000877975877 635301003 /nfs/dbraw/zinc/30/10/03/635301003.db2.gz RJPCJADVNBENPW-SFHVURJKSA-N 1 1 286.419 3.405 20 30 CGEDMO CO[C@H]1C[C@@H](C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)C1 ZINC000878010814 635319071 /nfs/dbraw/zinc/31/90/71/635319071.db2.gz SIXQUOZEAAGYIW-HDICACEKSA-N 1 1 286.419 3.441 20 30 CGEDMO CC[C@H]1CCC[N@H+]1CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878046373 635337079 /nfs/dbraw/zinc/33/70/79/635337079.db2.gz YBNCDQUGGJHEMX-ZWKOTPCHSA-N 1 1 284.403 3.301 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)C[C@H]1C[C@@H](OC)C1 ZINC000878159230 635386057 /nfs/dbraw/zinc/38/60/57/635386057.db2.gz GLQNSLQIIRZNGL-GASCZTMLSA-N 1 1 252.402 3.063 20 30 CGEDMO CCCON=C(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000842554822 635402333 /nfs/dbraw/zinc/40/23/33/635402333.db2.gz RGNAPVUFSYGUOZ-INIZCTEOSA-N 1 1 260.381 3.311 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000842628304 635420189 /nfs/dbraw/zinc/42/01/89/635420189.db2.gz WIZQAGMOKGKLDJ-HNNXBMFYSA-N 1 1 257.377 3.244 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1oc(-c2ccccc2)nc1C ZINC000878516222 635539432 /nfs/dbraw/zinc/53/94/32/635539432.db2.gz BQPPYNPSJHCAHS-GFCCVEGCSA-N 1 1 254.333 3.104 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](C[C@H]2CCC3(CCOCC3)O2)C1 ZINC000878915581 635656407 /nfs/dbraw/zinc/65/64/07/635656407.db2.gz WSPFBQAXGVBWDI-JKSUJKDBSA-N 1 1 279.424 3.003 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CCOCC3)O2)C1 ZINC000878915578 635656546 /nfs/dbraw/zinc/65/65/46/635656546.db2.gz WSPFBQAXGVBWDI-CVEARBPZSA-N 1 1 279.424 3.003 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc(C)o2)C1 ZINC000843424270 635668729 /nfs/dbraw/zinc/66/87/29/635668729.db2.gz XLAWHLRPRWPKCK-HNNXBMFYSA-N 1 1 297.402 3.224 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000843424548 635669961 /nfs/dbraw/zinc/66/99/61/635669961.db2.gz VVJUQYKZIWPOQE-JKSUJKDBSA-N 1 1 282.387 3.213 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cnc(C)n2-c2ccccc2)C1 ZINC000843424561 635670033 /nfs/dbraw/zinc/67/00/33/635670033.db2.gz WGOWWFROFWIUSB-KRWDZBQOSA-N 1 1 293.414 3.416 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000879243847 635732944 /nfs/dbraw/zinc/73/29/44/635732944.db2.gz MNMIWPSWLYHGGM-CVEARBPZSA-N 1 1 272.392 3.124 20 30 CGEDMO O[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC000879246794 635734211 /nfs/dbraw/zinc/73/42/11/635734211.db2.gz XVBJMLHYIIRIKB-UXHICEINSA-N 1 1 291.394 3.236 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879620976 635820007 /nfs/dbraw/zinc/82/00/07/635820007.db2.gz UAEBIBAZHXBJJM-HNNXBMFYSA-N 1 1 286.419 3.081 20 30 CGEDMO C[N@H+](Cc1ccc(CF)cc1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844366887 635881571 /nfs/dbraw/zinc/88/15/71/635881571.db2.gz PEALJKJIXCZDQR-GOSISDBHSA-N 1 1 298.361 3.193 20 30 CGEDMO CCCCCCC[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844369284 635882395 /nfs/dbraw/zinc/88/23/95/635882395.db2.gz JZTNFHDLBZHGRL-QGZVFWFLSA-N 1 1 274.408 3.494 20 30 CGEDMO CCc1ccccc1C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844372453 635884007 /nfs/dbraw/zinc/88/40/07/635884007.db2.gz ZBVVCEUOSDPCNO-LJQANCHMSA-N 1 1 294.398 3.286 20 30 CGEDMO N#Cc1cnccc1C[N@H+]1CC[C@@]2(CCc3ccccc32)C1 ZINC000879997650 635892763 /nfs/dbraw/zinc/89/27/63/635892763.db2.gz QLYIAENQYTWINQ-IBGZPJMESA-N 1 1 289.382 3.043 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(Cc2nc([C@@H]3C[C@H]3C)no2)CC1 ZINC000844409581 635893163 /nfs/dbraw/zinc/89/31/63/635893163.db2.gz KCYIKZUIANYRDW-ZWNOBZJWSA-N 1 1 295.814 3.200 20 30 CGEDMO C[C@]1(C(F)(F)F)CC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000880000215 635895530 /nfs/dbraw/zinc/89/55/30/635895530.db2.gz KDSFVZGDENROCB-AWEZNQCLSA-N 1 1 298.308 3.211 20 30 CGEDMO N#CC1(CCC[N@@H+]2CCC[C@@]3(CC3(F)F)C2)CCOCC1 ZINC000844442965 635905072 /nfs/dbraw/zinc/90/50/72/635905072.db2.gz HVNFSLRAPMJIDG-OAHLLOKOSA-N 1 1 298.377 3.208 20 30 CGEDMO C#CCCCCC[N@H+]1CC[C@@H](C(F)(F)F)O[C@@H](C)C1 ZINC000880065540 635908073 /nfs/dbraw/zinc/90/80/73/635908073.db2.gz VSRKIJBZXAHLBX-STQMWFEESA-N 1 1 277.330 3.222 20 30 CGEDMO N#CC1(CC[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)CCCCC1 ZINC000844461984 635909535 /nfs/dbraw/zinc/90/95/35/635909535.db2.gz MHBMRHNDYVXWEV-TXEJJXNPSA-N 1 1 254.324 3.047 20 30 CGEDMO C=CC(C)(C)CC(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000880122555 635917603 /nfs/dbraw/zinc/91/76/03/635917603.db2.gz ZFIZXFJBMJFOSQ-UHFFFAOYSA-N 1 1 257.337 3.184 20 30 CGEDMO CO[C@@]1(C(F)(F)F)CC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000880306848 635970614 /nfs/dbraw/zinc/97/06/14/635970614.db2.gz ZLFFXWARHZKHDQ-FZMZJTMJSA-N 1 1 298.308 3.272 20 30 CGEDMO C[C@H]1c2sccc2CC[N@H+]1Cc1ccc(C#N)o1 ZINC000880376162 635987103 /nfs/dbraw/zinc/98/71/03/635987103.db2.gz OZYHFJZUVLVCPT-JTQLQIEISA-N 1 1 258.346 3.332 20 30 CGEDMO C[C@H]1c2sccc2CC[N@@H+]1Cc1ccc(C#N)o1 ZINC000880376162 635987107 /nfs/dbraw/zinc/98/71/07/635987107.db2.gz OZYHFJZUVLVCPT-JTQLQIEISA-N 1 1 258.346 3.332 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000880578927 636026701 /nfs/dbraw/zinc/02/67/01/636026701.db2.gz UCKSGLWXWKTVFC-HOCLYGCPSA-N 1 1 264.413 3.207 20 30 CGEDMO C=CC[C@H](C(=O)OC[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1 ZINC000845819761 636104018 /nfs/dbraw/zinc/10/40/18/636104018.db2.gz RMIDIBPKEBVVKH-PVAVHDDUSA-N 1 1 287.403 3.230 20 30 CGEDMO C=C(C)CONC(=O)c1ccc(C[N@H+](CC)CCC)cc1 ZINC000846539914 636196531 /nfs/dbraw/zinc/19/65/31/636196531.db2.gz POCDCASVSSLRQI-UHFFFAOYSA-N 1 1 290.407 3.156 20 30 CGEDMO C=CC1CC[NH+](Cc2cnc(Cl)c(F)c2)CC1 ZINC000846801870 636243951 /nfs/dbraw/zinc/24/39/51/636243951.db2.gz CTQWGKOYLNWXBC-UHFFFAOYSA-N 1 1 254.736 3.272 20 30 CGEDMO C#C[C@H]([NH2+]Cc1cc(C(C)C)ccc1OC)[C@H]1CCCO1 ZINC000846862652 636264650 /nfs/dbraw/zinc/26/46/50/636264650.db2.gz WMVHBTBCWLYBBI-FUHWJXTLSA-N 1 1 287.403 3.089 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000847018319 636311026 /nfs/dbraw/zinc/31/10/26/636311026.db2.gz JAMYJWGLHCJKGH-UZLBHIALSA-N 1 1 293.410 3.088 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000847022775 636313379 /nfs/dbraw/zinc/31/33/79/636313379.db2.gz XQQXTYKKHIACIP-HNNXBMFYSA-N 1 1 293.370 3.114 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000847022775 636313382 /nfs/dbraw/zinc/31/33/82/636313382.db2.gz XQQXTYKKHIACIP-HNNXBMFYSA-N 1 1 293.370 3.114 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2sccc2Br)C1 ZINC000847022767 636314163 /nfs/dbraw/zinc/31/41/63/636314163.db2.gz XJQTXIIWRAMECC-JTQLQIEISA-N 1 1 284.222 3.356 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2sccc2Br)C1 ZINC000847022767 636314165 /nfs/dbraw/zinc/31/41/65/636314165.db2.gz XJQTXIIWRAMECC-JTQLQIEISA-N 1 1 284.222 3.356 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000847023015 636315079 /nfs/dbraw/zinc/31/50/79/636315079.db2.gz KOAQOXOSPNAMQF-ZDUSSCGKSA-N 1 1 297.320 3.473 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2coc(-c3cccs3)n2)C1 ZINC000847026518 636316525 /nfs/dbraw/zinc/31/65/25/636316525.db2.gz FKVBSCGSBVFHQI-GFCCVEGCSA-N 1 1 272.373 3.248 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2coc(-c3cccs3)n2)C1 ZINC000847026518 636316528 /nfs/dbraw/zinc/31/65/28/636316528.db2.gz FKVBSCGSBVFHQI-GFCCVEGCSA-N 1 1 272.373 3.248 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(=O)oc3c(C)c(C)ccc23)C1 ZINC000847027836 636316937 /nfs/dbraw/zinc/31/69/37/636316937.db2.gz CZPMNQONGRECJY-HNNXBMFYSA-N 1 1 295.382 3.255 20 30 CGEDMO C#C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000847031465 636319303 /nfs/dbraw/zinc/31/93/03/636319303.db2.gz QUIURVOCYJHRNR-STQMWFEESA-N 1 1 290.794 3.012 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000847031465 636319310 /nfs/dbraw/zinc/31/93/10/636319310.db2.gz QUIURVOCYJHRNR-STQMWFEESA-N 1 1 290.794 3.012 20 30 CGEDMO COc1ccc(C[NH2+]Cc2ccc(SC)o2)cc1C#N ZINC000883073044 636530248 /nfs/dbraw/zinc/53/02/48/636530248.db2.gz FQTNROJYKIQYEQ-UHFFFAOYSA-N 1 1 288.372 3.172 20 30 CGEDMO C#Cc1ccc(C[NH2+]Cc2nc3c(s2)CCCC3)cc1 ZINC000883132365 636549838 /nfs/dbraw/zinc/54/98/38/636549838.db2.gz OYSWLSGOEXQCKZ-UHFFFAOYSA-N 1 1 282.412 3.293 20 30 CGEDMO c1ccc(CON=C2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000848404193 636567545 /nfs/dbraw/zinc/56/75/45/636567545.db2.gz GGQBTHYEMWROJM-MRXNPFEDSA-N 1 1 258.365 3.208 20 30 CGEDMO COc1cc(C[N@@H+]2Cc3ccc(C#N)cc3C2)c(O)cc1C ZINC000848500724 636582438 /nfs/dbraw/zinc/58/24/38/636582438.db2.gz JSOBIBODKCNOGN-UHFFFAOYSA-N 1 1 294.354 3.097 20 30 CGEDMO COc1cc(C[N@H+]2Cc3ccc(C#N)cc3C2)c(O)cc1C ZINC000848500724 636582447 /nfs/dbraw/zinc/58/24/47/636582447.db2.gz JSOBIBODKCNOGN-UHFFFAOYSA-N 1 1 294.354 3.097 20 30 CGEDMO Cc1ccc(Cc2noc([C@H]([NH3+])CCCCC#N)n2)cc1 ZINC000848620732 636620211 /nfs/dbraw/zinc/62/02/11/636620211.db2.gz GJKJCEAVNXXFFG-CQSZACIVSA-N 1 1 284.363 3.053 20 30 CGEDMO CC1(Cc2noc([C@@H]([NH3+])CCCCC#N)n2)CCCC1 ZINC000848632589 636625100 /nfs/dbraw/zinc/62/51/00/636625100.db2.gz UNBUDQSRVUMTJK-LBPRGKRZSA-N 1 1 276.384 3.276 20 30 CGEDMO N#Cc1cc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1C1CC1 ZINC000883337534 636683851 /nfs/dbraw/zinc/68/38/51/636683851.db2.gz IBONQGDUKORUIV-IRXDYDNUSA-N 1 1 281.403 3.474 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000848923730 636695298 /nfs/dbraw/zinc/69/52/98/636695298.db2.gz IXPQMTBLEDJWMX-LBPRGKRZSA-N 1 1 263.768 3.199 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cnc(C3CCC3)s2)C1 ZINC000848923950 636695790 /nfs/dbraw/zinc/69/57/90/636695790.db2.gz LPIXNOFIWHSRCV-LBPRGKRZSA-N 1 1 260.406 3.256 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cnc(-c3ccco3)s2)C1 ZINC000848924419 636696914 /nfs/dbraw/zinc/69/69/14/636696914.db2.gz RVUCREHQAWXRRY-LBPRGKRZSA-N 1 1 272.373 3.248 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc3ccccc3nc2OC)C1 ZINC000848924468 636697694 /nfs/dbraw/zinc/69/76/94/636697694.db2.gz SWZHDPNZPXXRQR-AWEZNQCLSA-N 1 1 280.371 3.089 20 30 CGEDMO CC(C)(C)[N@H+]1CC[C@H]1C/N=C/c1cc(Cl)ccc1O ZINC000849170592 636763295 /nfs/dbraw/zinc/76/32/95/636763295.db2.gz NGIOFBZBAYSOON-YRUBURHZSA-N 1 1 280.799 3.337 20 30 CGEDMO CCOc1cccc(/C=N/C[C@H]2CC[N@H+]2C(C)(C)C)c1O ZINC000849170637 636763603 /nfs/dbraw/zinc/76/36/03/636763603.db2.gz NKDFZEMWMWXSPO-XWAFYUISSA-N 1 1 290.407 3.083 20 30 CGEDMO C[C@@H](CC/N=C\c1cc(Cl)cc(Cl)c1O)[NH+](C)C ZINC000849170839 636763974 /nfs/dbraw/zinc/76/39/74/636763974.db2.gz VWVVTZABPYPVJF-HUUTXYLISA-N 1 1 289.206 3.458 20 30 CGEDMO N#CCC1(COC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000849787247 636875054 /nfs/dbraw/zinc/87/50/54/636875054.db2.gz XCSVXZNKIJVKML-HNNXBMFYSA-N 1 1 290.407 3.021 20 30 CGEDMO C=C(Br)C[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000850431955 637059725 /nfs/dbraw/zinc/05/97/25/637059725.db2.gz NPCXLZOFQOUVCE-SECBINFHSA-N 1 1 281.153 3.387 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@@H+](Cc2cccs2)C2CC2)CCC1 ZINC000885938185 637321073 /nfs/dbraw/zinc/32/10/73/637321073.db2.gz UXMDWEXXPYXPJN-CQSZACIVSA-N 1 1 290.432 3.157 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]Cc1cc(C)co1 ZINC000885977347 637340603 /nfs/dbraw/zinc/34/06/03/637340603.db2.gz HKWPYNABRJLYEL-UHFFFAOYSA-N 1 1 257.333 3.443 20 30 CGEDMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886072296 637400137 /nfs/dbraw/zinc/40/01/37/637400137.db2.gz CMCVLXCNLKMAAH-ARFHVFGLSA-N 1 1 278.440 3.332 20 30 CGEDMO CC1(C)c2ccccc2CC[N@@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886105140 637415346 /nfs/dbraw/zinc/41/53/46/637415346.db2.gz SQSTYCZTUDJBMR-INIZCTEOSA-N 1 1 298.430 3.225 20 30 CGEDMO C/C(=C\c1ccccc1)C[N@@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000886171469 637446063 /nfs/dbraw/zinc/44/60/63/637446063.db2.gz HNFMIMWXRRKROC-QIPHDZALSA-N 1 1 298.430 3.467 20 30 CGEDMO Cc1ccc(F)c(C[N@@H+](C)C[C@@H](O)CC2(C#N)CCC2)c1 ZINC000886173505 637447410 /nfs/dbraw/zinc/44/74/10/637447410.db2.gz QZMFETGTKCEDDW-HNNXBMFYSA-N 1 1 290.382 3.011 20 30 CGEDMO C[N@@H+](C[C@@H](O)CC1(C#N)CCC1)C(C)(C)c1ccccc1 ZINC000886193707 637453458 /nfs/dbraw/zinc/45/34/58/637453458.db2.gz ATARTOVSVGUIFQ-INIZCTEOSA-N 1 1 286.419 3.298 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@H]1CCC(=O)O1 ZINC000851713166 637470431 /nfs/dbraw/zinc/47/04/31/637470431.db2.gz BKVAPGSIGBDXEP-SNVBAGLBSA-N 1 1 285.796 3.095 20 30 CGEDMO C=CC[N@H+](Cc1ccc(Cl)s1)C[C@H]1CCC(=O)O1 ZINC000851713166 637470436 /nfs/dbraw/zinc/47/04/36/637470436.db2.gz BKVAPGSIGBDXEP-SNVBAGLBSA-N 1 1 285.796 3.095 20 30 CGEDMO C#CCOCC[N@H+](Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000851712897 637470865 /nfs/dbraw/zinc/47/08/65/637470865.db2.gz VDECEJUUSOQRMO-XJKSGUPXSA-N 1 1 273.376 3.017 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)[C@H]1CC[C@H](OC)C1 ZINC000851712401 637471081 /nfs/dbraw/zinc/47/10/81/637471081.db2.gz OEKUQJDWQYLYGA-STQMWFEESA-N 1 1 251.395 3.304 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@H]1CC[C@H](OC)C1 ZINC000851729915 637479429 /nfs/dbraw/zinc/47/94/29/637479429.db2.gz SAXJBIPPFDDFKJ-IRXDYDNUSA-N 1 1 272.392 3.338 20 30 CGEDMO N#CCc1cccc2c1CC[N@@H+](C[C@@H]1CC[C@H](C3CC3)O1)C2 ZINC000886302399 637489610 /nfs/dbraw/zinc/48/96/10/637489610.db2.gz LIMOGUNGCWRKAT-PKOBYXMFSA-N 1 1 296.414 3.068 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2nnc(-c3ccccc3)s2)C1 ZINC000886363772 637514094 /nfs/dbraw/zinc/51/40/94/637514094.db2.gz CRFYOBKWYXVGOP-ZDUSSCGKSA-N 1 1 283.400 3.050 20 30 CGEDMO C#CC[C@@H]1CC[N@H+]([C@@H](CCOC)c2ccccc2)C1 ZINC000886363054 637514634 /nfs/dbraw/zinc/51/46/34/637514634.db2.gz YQRUAIFINYRNQA-WBVHZDCISA-N 1 1 257.377 3.109 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1cccc(OC)c1Cl ZINC000851986308 637566026 /nfs/dbraw/zinc/56/60/26/637566026.db2.gz ICPRFKBRYAGSJX-UHFFFAOYSA-N 1 1 251.757 3.192 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1cccc(OC)c1Cl ZINC000851986308 637566032 /nfs/dbraw/zinc/56/60/32/637566032.db2.gz ICPRFKBRYAGSJX-UHFFFAOYSA-N 1 1 251.757 3.192 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+]Cc1nc(Cl)ccc1Cl ZINC000852102093 637596303 /nfs/dbraw/zinc/59/63/03/637596303.db2.gz VPLVZYGSXMFLGK-LBPRGKRZSA-N 1 1 257.164 3.280 20 30 CGEDMO C[C@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)c1c(O)cccc1F ZINC000886647977 637627589 /nfs/dbraw/zinc/62/75/89/637627589.db2.gz IDEFCOBEPOUONV-XHDPSFHLSA-N 1 1 296.345 3.221 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000852319386 637633584 /nfs/dbraw/zinc/63/35/84/637633584.db2.gz LORUZYFCMCNYQI-XHDPSFHLSA-N 1 1 296.773 3.138 20 30 CGEDMO N#C[C@]1(c2ccccn2)CCC[N@H+](CCc2ccccc2)C1 ZINC000852324829 637634236 /nfs/dbraw/zinc/63/42/36/637634236.db2.gz CEZJVGWUWHIJSO-LJQANCHMSA-N 1 1 291.398 3.181 20 30 CGEDMO N#C[C@]1(c2ccccn2)CCC[N@@H+](CCc2ccccc2)C1 ZINC000852324829 637634243 /nfs/dbraw/zinc/63/42/43/637634243.db2.gz CEZJVGWUWHIJSO-LJQANCHMSA-N 1 1 291.398 3.181 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](C[C@H](O)c2cccc3ccccc32)C1 ZINC000852320193 637635105 /nfs/dbraw/zinc/63/51/05/637635105.db2.gz XIEQURZXQGDUHW-KXBFYZLASA-N 1 1 294.398 3.499 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](C[C@@H](O)c2ccccc2C)C1 ZINC000852410035 637647272 /nfs/dbraw/zinc/64/72/72/637647272.db2.gz GJHDUWHIDITCRL-DOTOQJQBSA-N 1 1 259.393 3.317 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](C[C@H](O)c2cc(F)ccc2F)C1 ZINC000852410922 637648459 /nfs/dbraw/zinc/64/84/59/637648459.db2.gz QGXYRAPRWHWCQM-WBMJQRKESA-N 1 1 281.346 3.286 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)cc2F)C1 ZINC000852411930 637649607 /nfs/dbraw/zinc/64/96/07/637649607.db2.gz WRLBJORKAZCATD-BLLLJJGKSA-N 1 1 281.346 3.286 20 30 CGEDMO CSc1ccc(C[NH2+][C@H]2C[C@H](C)n3ccnc32)cc1C#N ZINC000886689748 637654445 /nfs/dbraw/zinc/65/44/45/637654445.db2.gz GZKBTHKXRRUHOG-FZMZJTMJSA-N 1 1 298.415 3.272 20 30 CGEDMO C=CC[N@H+](C[C@@H](O)c1ccc(F)cc1C)C(C)(C)C ZINC000852554221 637676748 /nfs/dbraw/zinc/67/67/48/637676748.db2.gz HCLABDQCGXWQKR-OAHLLOKOSA-N 1 1 265.372 3.454 20 30 CGEDMO C=C(Br)C[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000852595890 637685456 /nfs/dbraw/zinc/68/54/56/637685456.db2.gz JKCMUBYXKXVCMX-CHWSQXEVSA-N 1 1 288.229 3.176 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)c1ccc(F)cc1F ZINC000852685328 637695122 /nfs/dbraw/zinc/69/51/22/637695122.db2.gz FJPUTMXEHZXKPJ-ZENOOKHLSA-N 1 1 279.330 3.181 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000852687111 637696624 /nfs/dbraw/zinc/69/66/24/637696624.db2.gz GRLMGRPBFJKNLF-BETUJISGSA-N 1 1 276.311 3.417 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1c(C)cccc1Cl ZINC000852748857 637704913 /nfs/dbraw/zinc/70/49/13/637704913.db2.gz IYLYVQKZNNHHJB-UHFFFAOYSA-N 1 1 265.784 3.120 20 30 CGEDMO C=CC[C@@H]1CCCC[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC000855170409 638151714 /nfs/dbraw/zinc/15/17/14/638151714.db2.gz QLMGXTMZBCSHAM-HZPDHXFCSA-N 1 1 289.423 3.223 20 30 CGEDMO C#C[C@@H](CCC)NC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857191809 638470051 /nfs/dbraw/zinc/47/00/51/638470051.db2.gz SZPQQSFZHAOWHY-MSOLQXFVSA-N 1 1 298.430 3.028 20 30 CGEDMO C=CCCC(=O)OC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000114989771 638479537 /nfs/dbraw/zinc/47/95/37/638479537.db2.gz YTWVVLFPKKGQPR-QGZVFWFLSA-N 1 1 287.403 3.408 20 30 CGEDMO C=CCCC[C@@H](N[C@@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000925764576 638600733 /nfs/dbraw/zinc/60/07/33/638600733.db2.gz HRTOGEDVLDHAEV-WMLDXEAASA-N 1 1 258.409 3.282 20 30 CGEDMO C[C@H](CC(C)(C)C#N)[NH2+]CCc1ccc2cn[nH]c2c1 ZINC000926378426 638767617 /nfs/dbraw/zinc/76/76/17/638767617.db2.gz OBDWMSFCDHSFHA-GFCCVEGCSA-N 1 1 270.380 3.023 20 30 CGEDMO C[C@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1ccc(C#N)c(F)c1 ZINC000927107672 638843035 /nfs/dbraw/zinc/84/30/35/638843035.db2.gz HZJCHXAWLJRLCF-NSHDSACASA-N 1 1 298.365 3.159 20 30 CGEDMO Cc1cc([C@@H]2CCC[N@H+]2CC2CCC(C#N)CC2)no1 ZINC000929184457 638906311 /nfs/dbraw/zinc/90/63/11/638906311.db2.gz ACJHLKCIWZLOGW-XUJLQICISA-N 1 1 273.380 3.450 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)c1 ZINC000929314744 638918330 /nfs/dbraw/zinc/91/83/30/638918330.db2.gz RZTOCGIUWQGPJN-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1cncc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)c1 ZINC000929314744 638918333 /nfs/dbraw/zinc/91/83/33/638918333.db2.gz RZTOCGIUWQGPJN-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO Cc1cc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c(C)nn1 ZINC000929367452 638921649 /nfs/dbraw/zinc/92/16/49/638921649.db2.gz MKPYGUQLRZWQFY-UHFFFAOYSA-N 1 1 292.386 3.130 20 30 CGEDMO Cc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)c(C)nn1 ZINC000929367452 638921650 /nfs/dbraw/zinc/92/16/50/638921650.db2.gz MKPYGUQLRZWQFY-UHFFFAOYSA-N 1 1 292.386 3.130 20 30 CGEDMO Cc1ccccc1C[N@H+](Cc1ccccc1)C[C@H](O)CC#N ZINC000929400439 638923445 /nfs/dbraw/zinc/92/34/45/638923445.db2.gz ICQPDAJAGYJJCP-LJQANCHMSA-N 1 1 294.398 3.272 20 30 CGEDMO COC(=O)C[C@@H]1CCCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000929475016 638927149 /nfs/dbraw/zinc/92/71/49/638927149.db2.gz RTBBIXYEEYJWNP-HNNXBMFYSA-N 1 1 292.423 3.268 20 30 CGEDMO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1cncc(C#N)c1 ZINC000929491980 638928450 /nfs/dbraw/zinc/92/84/50/638928450.db2.gz ATJMDOFGNRTGHE-QGZVFWFLSA-N 1 1 293.370 3.299 20 30 CGEDMO COc1ccccc1[C@H]1CCC[N@H+]1Cc1cncc(C#N)c1 ZINC000929491980 638928451 /nfs/dbraw/zinc/92/84/51/638928451.db2.gz ATJMDOFGNRTGHE-QGZVFWFLSA-N 1 1 293.370 3.299 20 30 CGEDMO COC1CCC([N@@H+](C)CC2CCC(C#N)CC2)CC1 ZINC000929655341 638937994 /nfs/dbraw/zinc/93/79/94/638937994.db2.gz XYKNHUCWEZNELE-UHFFFAOYSA-N 1 1 264.413 3.206 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000929691125 638941901 /nfs/dbraw/zinc/94/19/01/638941901.db2.gz DDLOOWTWOSQEPP-RYUDHWBXSA-N 1 1 292.345 3.358 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000929691125 638941902 /nfs/dbraw/zinc/94/19/02/638941902.db2.gz DDLOOWTWOSQEPP-RYUDHWBXSA-N 1 1 292.345 3.358 20 30 CGEDMO CN1CCCC[C@@H]1CC[N@H+](C)CC1CCC(C#N)CC1 ZINC000929722809 638945214 /nfs/dbraw/zinc/94/52/14/638945214.db2.gz PXAACIRVQKAJEC-OFLPRAFFSA-N 1 1 277.456 3.123 20 30 CGEDMO CN1CCCC[C@@H]1CC[N@@H+](C)CC1CCC(C#N)CC1 ZINC000929722809 638945217 /nfs/dbraw/zinc/94/52/17/638945217.db2.gz PXAACIRVQKAJEC-OFLPRAFFSA-N 1 1 277.456 3.123 20 30 CGEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2cncc(C#N)c2)C1 ZINC000929751358 638947014 /nfs/dbraw/zinc/94/70/14/638947014.db2.gz TVHOJXKUYYHHHV-LSDHHAIUSA-N 1 1 275.421 3.059 20 30 CGEDMO C[C@@H]1C[C@@H](N(C)Cc2cc(Cl)cc(C#N)c2)CC[N@H+]1C ZINC000929783699 638951366 /nfs/dbraw/zinc/95/13/66/638951366.db2.gz YPSQOIYJVDUMSL-WBMJQRKESA-N 1 1 291.826 3.126 20 30 CGEDMO C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(Cl)cc(C#N)c2)CCN1C ZINC000929783699 638951368 /nfs/dbraw/zinc/95/13/68/638951368.db2.gz YPSQOIYJVDUMSL-WBMJQRKESA-N 1 1 291.826 3.126 20 30 CGEDMO C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(Cl)cc(C#N)c2)CCN1C ZINC000929783699 638951369 /nfs/dbraw/zinc/95/13/69/638951369.db2.gz YPSQOIYJVDUMSL-WBMJQRKESA-N 1 1 291.826 3.126 20 30 CGEDMO CC(C)C[C@H]1CCC[N@@H+](Cc2cncc(C#N)c2)C1 ZINC000929830764 638955055 /nfs/dbraw/zinc/95/50/55/638955055.db2.gz AOEKIFHUGNCHCS-CQSZACIVSA-N 1 1 257.381 3.211 20 30 CGEDMO C[C@]1(CCCO)CCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000930159557 638977833 /nfs/dbraw/zinc/97/78/33/638977833.db2.gz VTRLAPQYJXEMHT-MRXNPFEDSA-N 1 1 278.440 3.478 20 30 CGEDMO C=CCC[C@@H]([NH2+]Cc1nncs1)c1ccccc1 ZINC000930227761 638984635 /nfs/dbraw/zinc/98/46/35/638984635.db2.gz ITRGMERGBTWVET-CYBMUJFWSA-N 1 1 259.378 3.335 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000930243084 638985848 /nfs/dbraw/zinc/98/58/48/638985848.db2.gz ADZUSONYWSTFBS-KGLIPLIRSA-N 1 1 282.428 3.188 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)[C@H](C)[C@@H](C)O1 ZINC000930251010 638986110 /nfs/dbraw/zinc/98/61/10/638986110.db2.gz HYCQMDQDJHOYIY-RBSFLKMASA-N 1 1 264.413 3.348 20 30 CGEDMO Cn1nccc1[C@H]1CCCC[N@H+]1CC1CCC(C#N)CC1 ZINC000930305391 638989724 /nfs/dbraw/zinc/98/97/24/638989724.db2.gz CQMLBMQZAGUEKN-VMBOVVBDSA-N 1 1 286.423 3.277 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CCCCC[C@@H]2CCO)c1 ZINC000930370515 638993573 /nfs/dbraw/zinc/99/35/73/638993573.db2.gz HPKQGWIPKGQIFU-MRXNPFEDSA-N 1 1 292.810 3.339 20 30 CGEDMO C=CC1(CC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCCCC1 ZINC000930368421 638993589 /nfs/dbraw/zinc/99/35/89/638993589.db2.gz KQFXNSDDWJZICB-HNNXBMFYSA-N 1 1 290.451 3.114 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000930378197 638994076 /nfs/dbraw/zinc/99/40/76/638994076.db2.gz ZLIICWSUWOPKSN-SFHVURJKSA-N 1 1 284.403 3.178 20 30 CGEDMO C[C@@H]1C[N@@H+](CC2CCC(C#N)CC2)CCC1(F)F ZINC000930513504 639016425 /nfs/dbraw/zinc/01/64/25/639016425.db2.gz NCJGJWAZYDVHTM-PNESKVBLSA-N 1 1 256.340 3.293 20 30 CGEDMO COc1cccc2c1C[N@@H+](CC1CCC(C#N)CC1)CC2 ZINC000930646032 639045772 /nfs/dbraw/zinc/04/57/72/639045772.db2.gz BMYGTPCVXMCVOB-UHFFFAOYSA-N 1 1 284.403 3.383 20 30 CGEDMO CC(C)C[N@H+](Cc1cnn(C)c1)CC1CCC(C#N)CC1 ZINC000930686202 639053740 /nfs/dbraw/zinc/05/37/40/639053740.db2.gz JAWPOMUWILIGEH-UHFFFAOYSA-N 1 1 288.439 3.208 20 30 CGEDMO C#CC[N@@H+](Cc1ccnc(F)c1)[C@H]1CCc2ccccc21 ZINC000859090756 639075672 /nfs/dbraw/zinc/07/56/72/639075672.db2.gz XLHXWKDXURJTMX-KRWDZBQOSA-N 1 1 280.346 3.343 20 30 CGEDMO C#CC[N@H+](Cc1ccnc(F)c1)[C@H]1CCc2ccccc21 ZINC000859090756 639075674 /nfs/dbraw/zinc/07/56/74/639075674.db2.gz XLHXWKDXURJTMX-KRWDZBQOSA-N 1 1 280.346 3.343 20 30 CGEDMO N#CC1(CCCC[N@@H+]2CCCCC[C@@H]2CO)CCC1 ZINC000930867886 639079849 /nfs/dbraw/zinc/07/98/49/639079849.db2.gz MZJSZAQREKVPEZ-OAHLLOKOSA-N 1 1 264.413 3.087 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2nc(C(C)C)ns2)C1 ZINC000931162919 639119721 /nfs/dbraw/zinc/11/97/21/639119721.db2.gz GSLZALNLZAJACH-LLVKDONJSA-N 1 1 251.399 3.060 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2nc(C(C)C)ns2)C1 ZINC000931162919 639119725 /nfs/dbraw/zinc/11/97/25/639119725.db2.gz GSLZALNLZAJACH-LLVKDONJSA-N 1 1 251.399 3.060 20 30 CGEDMO N#CCc1cccc2c1CC[N@@H+](CCCc1cccnc1)C2 ZINC000931333291 639136464 /nfs/dbraw/zinc/13/64/64/639136464.db2.gz SGTJQXHZYGIQKA-UHFFFAOYSA-N 1 1 291.398 3.139 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]([C@@H]2CCCN(Cc3ccccc3)C2=O)C1 ZINC000859445721 639143372 /nfs/dbraw/zinc/14/33/72/639143372.db2.gz OAECDWUJRLFCRC-SJLPKXTDSA-N 1 1 298.430 3.076 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1C[C@@H]2C[C@H]1CN2Cc1ccccc1 ZINC000931490099 639159811 /nfs/dbraw/zinc/15/98/11/639159811.db2.gz SHQRASLQJWJAIW-ROUUACIJSA-N 1 1 297.446 3.275 20 30 CGEDMO CC(C)(C#N)CCCN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC000931490099 639159812 /nfs/dbraw/zinc/15/98/12/639159812.db2.gz SHQRASLQJWJAIW-ROUUACIJSA-N 1 1 297.446 3.275 20 30 CGEDMO CC(C)(C#N)CCCN1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC000931490099 639159813 /nfs/dbraw/zinc/15/98/13/639159813.db2.gz SHQRASLQJWJAIW-ROUUACIJSA-N 1 1 297.446 3.275 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3CSC[C@@H]3C2)c1 ZINC000931547796 639167617 /nfs/dbraw/zinc/16/76/17/639167617.db2.gz HAXIUZSWWNQBDD-KBPBESRZSA-N 1 1 292.835 3.397 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000931551631 639168701 /nfs/dbraw/zinc/16/87/01/639168701.db2.gz YKXRSNUWNNQKDG-HOTGVXAUSA-N 1 1 286.444 3.360 20 30 CGEDMO N#CC1CCC(C[N@H+]2CC[C@H](c3nccs3)C2)CC1 ZINC000931688347 639189272 /nfs/dbraw/zinc/18/92/72/639189272.db2.gz KHGLFWCTMWTBPF-RUXDESIVSA-N 1 1 275.421 3.262 20 30 CGEDMO C=CCCC[N@H+]1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC000931793386 639206042 /nfs/dbraw/zinc/20/60/42/639206042.db2.gz BKIRUUXYCGFRNT-KRWDZBQOSA-N 1 1 267.376 3.323 20 30 CGEDMO N#Cc1cccc(C[N@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)c1 ZINC000931922996 639232035 /nfs/dbraw/zinc/23/20/35/639232035.db2.gz PKMRVWRXUBUGLZ-MOPGFXCFSA-N 1 1 274.367 3.332 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc3ccccc32)C1 ZINC000932154564 639278275 /nfs/dbraw/zinc/27/82/75/639278275.db2.gz KVHUFBRSWVFVTQ-KSSFIOAISA-N 1 1 280.371 3.109 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](C[C@H](O)c2cccc3ccccc32)C1 ZINC000932154564 639278279 /nfs/dbraw/zinc/27/82/79/639278279.db2.gz KVHUFBRSWVFVTQ-KSSFIOAISA-N 1 1 280.371 3.109 20 30 CGEDMO N#CCc1cccc2c1CC[N@H+](C[C@H]1CC1(Cl)Cl)C2 ZINC000860105171 639283052 /nfs/dbraw/zinc/28/30/52/639283052.db2.gz LQXJEWLTRSYHQG-CYBMUJFWSA-N 1 1 295.213 3.305 20 30 CGEDMO N#CCC1(C[N@H+]2CCC[C@@H](Cc3nccs3)C2)CC1 ZINC000932198622 639293237 /nfs/dbraw/zinc/29/32/37/639293237.db2.gz UDQRSMPVAZBQCW-ZDUSSCGKSA-N 1 1 275.421 3.091 20 30 CGEDMO C#CC[N@H+](Cc1coc(-c2cccc(F)c2)n1)C(C)C ZINC000932395299 639324339 /nfs/dbraw/zinc/32/43/39/639324339.db2.gz XKGPQRMICSFIDE-UHFFFAOYSA-N 1 1 272.323 3.324 20 30 CGEDMO C#CC[N@@H+](Cc1coc(-c2cccc(F)c2)n1)C(C)C ZINC000932395299 639324346 /nfs/dbraw/zinc/32/43/46/639324346.db2.gz XKGPQRMICSFIDE-UHFFFAOYSA-N 1 1 272.323 3.324 20 30 CGEDMO CC(C)C[N@@H+](Cc1ccccn1)CC1(CC#N)CC1 ZINC000932448844 639335539 /nfs/dbraw/zinc/33/55/39/639335539.db2.gz XNBVCWCYSPFECP-UHFFFAOYSA-N 1 1 257.381 3.233 20 30 CGEDMO C#CC[N@@H+](C[C@@H]1CCCN(C(=O)C(C)(C)C)C1)C(C)(C)C ZINC000932461856 639338227 /nfs/dbraw/zinc/33/82/27/639338227.db2.gz KGZGPUIUADNPMQ-OAHLLOKOSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000932697568 639374672 /nfs/dbraw/zinc/37/46/72/639374672.db2.gz NJDONEOHFBKLCT-UONOGXRCSA-N 1 1 282.428 3.188 20 30 CGEDMO CCO[C@H]1CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000932972962 639404988 /nfs/dbraw/zinc/40/49/88/639404988.db2.gz VLJNCCDMLWKYEP-ZDUSSCGKSA-N 1 1 298.308 3.188 20 30 CGEDMO CCO[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000932972962 639404991 /nfs/dbraw/zinc/40/49/91/639404991.db2.gz VLJNCCDMLWKYEP-ZDUSSCGKSA-N 1 1 298.308 3.188 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000933081142 639412431 /nfs/dbraw/zinc/41/24/31/639412431.db2.gz GJKFJDICEDIDIL-KRWDZBQOSA-N 1 1 284.403 3.197 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933082858 639414474 /nfs/dbraw/zinc/41/44/74/639414474.db2.gz ARKODHBGEUZEJK-OAHLLOKOSA-N 1 1 264.413 3.065 20 30 CGEDMO N#Cc1ccc([C@@H]2C[N@@H+](CC[C@@H]3C[C@H]3C3CC3)CCO2)cc1 ZINC000933632089 639472420 /nfs/dbraw/zinc/47/24/20/639472420.db2.gz NOHTYUWUOAMCRG-QYZOEREBSA-N 1 1 296.414 3.368 20 30 CGEDMO C[N@@H+](CCc1ccc2c(c1)CCO2)Cc1cc(C#N)cs1 ZINC000933776820 639489221 /nfs/dbraw/zinc/48/92/21/639489221.db2.gz AZZMDOLZWGIXJR-UHFFFAOYSA-N 1 1 298.411 3.229 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000933771249 639489429 /nfs/dbraw/zinc/48/94/29/639489429.db2.gz WUVNMGJGFMWQRG-KCQAQPDRSA-N 1 1 276.405 3.009 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1cc(=O)oc2cc(C)ccc12 ZINC000934465113 639613165 /nfs/dbraw/zinc/61/31/65/639613165.db2.gz CLWQWFVTMVLOHK-CQSZACIVSA-N 1 1 269.344 3.252 20 30 CGEDMO C#CCCCCC[N@H+]1C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C1 ZINC000934790571 639676592 /nfs/dbraw/zinc/67/65/92/639676592.db2.gz AXQZDDJZNAPBPC-OKILXGFUSA-N 1 1 290.373 3.137 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000934831434 639682451 /nfs/dbraw/zinc/68/24/51/639682451.db2.gz IOXAHKDAZLYQGQ-ZWKOTPCHSA-N 1 1 284.403 3.197 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000158930498 640024019 /nfs/dbraw/zinc/02/40/19/640024019.db2.gz PHCMHCHOPFEYOJ-KGLIPLIRSA-N 1 1 258.365 3.352 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000158996030 640026682 /nfs/dbraw/zinc/02/66/82/640026682.db2.gz WGRSZSVECAKHAI-CQSZACIVSA-N 1 1 258.365 3.375 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCS[C@@H](C)CC2)cc1 ZINC000190690735 640261732 /nfs/dbraw/zinc/26/17/32/640261732.db2.gz BSRZNUNUDUBJHY-AWEZNQCLSA-N 1 1 275.417 3.026 20 30 CGEDMO C#CC[N@@H+](CCO[C@@H]1CCCCO1)[C@H]1CCc2ccccc21 ZINC000249728304 640807008 /nfs/dbraw/zinc/80/70/08/640807008.db2.gz VBPAMCVCJPBIHX-RBUKOAKNSA-N 1 1 299.414 3.152 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+](C)C1CCCCCCC1 ZINC000302983055 640822652 /nfs/dbraw/zinc/82/26/52/640822652.db2.gz DLTAJXXJTNAQDJ-UHFFFAOYSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2sccc2F)C1 ZINC001007281425 640854909 /nfs/dbraw/zinc/85/49/09/640854909.db2.gz RMMRTWCRBKRTDG-LBPRGKRZSA-N 1 1 296.411 3.048 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2ccsc2C)C1 ZINC001007285628 640941026 /nfs/dbraw/zinc/94/10/26/640941026.db2.gz JPXJGGRKGUWNSN-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C2(C)CCCCC2)C1 ZINC001008396223 640950452 /nfs/dbraw/zinc/95/04/52/640950452.db2.gz XCFSQYJLKIKDMT-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](CC(CC)CC)C2)C1 ZINC001008462166 640951642 /nfs/dbraw/zinc/95/16/42/640951642.db2.gz BLHSILPBFGMIHJ-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)c2cccc(C3CC3)c2)C1 ZINC001009664793 640962124 /nfs/dbraw/zinc/96/21/24/640962124.db2.gz XTSAWDZQBDBBOT-GOSISDBHSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cc(C)ccc2C2CC2)C1 ZINC001015380207 640979040 /nfs/dbraw/zinc/97/90/40/640979040.db2.gz ZAHZFWFSOUUNEQ-INIZCTEOSA-N 1 1 298.430 3.253 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccc(C)cc2C)C1 ZINC001016164542 640992892 /nfs/dbraw/zinc/99/28/92/640992892.db2.gz LMPITKUMPLMOAP-INIZCTEOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)c2sccc2C2CC2)C1 ZINC001016181028 640994739 /nfs/dbraw/zinc/99/47/39/640994739.db2.gz OKTGROCHBXXBTK-ZDUSSCGKSA-N 1 1 290.432 3.006 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@]2(C)CCC(C)=C(C)C2)C1 ZINC001016370344 640996325 /nfs/dbraw/zinc/99/63/25/640996325.db2.gz CKSHHPMJGULROH-AEFFLSMTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H](C)CC1 ZINC001018197210 641020366 /nfs/dbraw/zinc/02/03/66/641020366.db2.gz ITCISSNDRUDZAH-KGASUQACSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)c1ccccc1 ZINC001018241203 641020418 /nfs/dbraw/zinc/02/04/18/641020418.db2.gz YUSTXTYSBPPLBJ-NXHRZFHOSA-N 1 1 298.430 3.041 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)c1ccccc1 ZINC001018241203 641020421 /nfs/dbraw/zinc/02/04/21/641020421.db2.gz YUSTXTYSBPPLBJ-NXHRZFHOSA-N 1 1 298.430 3.041 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)ccc1C ZINC001018213504 641020439 /nfs/dbraw/zinc/02/04/39/641020439.db2.gz SQECQWQCYOUFFS-CALCHBBNSA-N 1 1 298.430 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)ccc1C ZINC001018213504 641020443 /nfs/dbraw/zinc/02/04/43/641020443.db2.gz SQECQWQCYOUFFS-CALCHBBNSA-N 1 1 298.430 3.168 20 30 CGEDMO C#CCNc1ccc([C@@H]2CCCC[N@@H+]2CCC)cn1 ZINC001155655529 805599538 /nfs/dbraw/zinc/59/95/38/805599538.db2.gz IPJDHEPKLDKQSA-HNNXBMFYSA-N 1 1 257.381 3.064 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001155764500 805609398 /nfs/dbraw/zinc/60/93/98/805609398.db2.gz RFILXZTVYIDEDB-HYVNUMGLSA-N 1 1 292.467 3.215 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)C(CC)(CC)CC ZINC001156031493 805643133 /nfs/dbraw/zinc/64/31/33/805643133.db2.gz WPCFSKYRJSOQSG-OAHLLOKOSA-N 1 1 280.456 3.053 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)CCC ZINC001156046458 805646163 /nfs/dbraw/zinc/64/61/63/805646163.db2.gz OPNLPWQFAAOOET-CABCVRRESA-N 1 1 268.445 3.215 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)C1(F)CCCCC1 ZINC001156188858 805663989 /nfs/dbraw/zinc/66/39/89/805663989.db2.gz RCLCIURCFJGCII-CQSZACIVSA-N 1 1 284.419 3.062 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)CC(C)C ZINC001156247862 805668689 /nfs/dbraw/zinc/66/86/89/805668689.db2.gz HOVCFUWVXHAPHX-CABCVRRESA-N 1 1 268.445 3.071 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)CCC(C)(C)C ZINC001156403619 805684446 /nfs/dbraw/zinc/68/44/46/805684446.db2.gz KMFPBZGNKWXOCC-JKSUJKDBSA-N 1 1 294.483 3.299 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)c1ccc(C)cc1 ZINC001156594762 805718455 /nfs/dbraw/zinc/71/84/55/805718455.db2.gz KDGKNWICWJEBJO-CQSZACIVSA-N 1 1 294.826 3.188 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)c1ccc(C)cc1 ZINC001156594762 805718457 /nfs/dbraw/zinc/71/84/57/805718457.db2.gz KDGKNWICWJEBJO-CQSZACIVSA-N 1 1 294.826 3.188 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)C1(CC=C)CCCCC1 ZINC001156678408 805725496 /nfs/dbraw/zinc/72/54/96/805725496.db2.gz BGHUQIFQIHBZPH-UHFFFAOYSA-N 1 1 292.467 3.479 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1cccc(C)c1C ZINC001156694359 805726418 /nfs/dbraw/zinc/72/64/18/805726418.db2.gz HFIQCRHXVBZQHB-OAHLLOKOSA-N 1 1 288.435 3.320 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(C)c(C)c1 ZINC001156725795 805728798 /nfs/dbraw/zinc/72/87/98/805728798.db2.gz DOARTRTVQRIZSC-MRXNPFEDSA-N 1 1 288.435 3.320 20 30 CGEDMO COc1cccc(F)c1CNc1[nH+]ccc2[nH]cc(C#N)c21 ZINC001156744797 805730235 /nfs/dbraw/zinc/73/02/35/805730235.db2.gz WPOCWVJKSSZVEU-UHFFFAOYSA-N 1 1 296.305 3.194 20 30 CGEDMO C=CC[N@@H+](C[C@@H](O)COc1ccc(Cl)cc1)C(C)(C)C ZINC001250674040 805753850 /nfs/dbraw/zinc/75/38/50/805753850.db2.gz QKHDNNIVLUAMCW-CQSZACIVSA-N 1 1 297.826 3.366 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(CF)cc1 ZINC001157184371 805788140 /nfs/dbraw/zinc/78/81/40/805788140.db2.gz SHRAFRAYYGKTQG-CQSZACIVSA-N 1 1 292.398 3.172 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC1CC1 ZINC001157422913 805810860 /nfs/dbraw/zinc/81/08/60/805810860.db2.gz QDLRFTYJHOYIOM-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)c1occc1C ZINC001157535083 805829413 /nfs/dbraw/zinc/82/94/13/805829413.db2.gz ZKMNWJPOWAAXDV-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CC1CCC1 ZINC001157755277 805862108 /nfs/dbraw/zinc/86/21/08/805862108.db2.gz PEDYPAUYILXQPP-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C#CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)CCCC ZINC001157902040 805901533 /nfs/dbraw/zinc/90/15/33/805901533.db2.gz FBWZBKUSABRAOC-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCC ZINC001158005163 805913502 /nfs/dbraw/zinc/91/35/02/805913502.db2.gz GJXATUNSHOHWCX-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO Cc1ccc([C@@H](C)Nc2[nH+]ccc3[nH]cc(C#N)c32)nc1 ZINC001158022182 805917407 /nfs/dbraw/zinc/91/74/07/805917407.db2.gz YGSZKXTYDPEQQH-LLVKDONJSA-N 1 1 277.331 3.311 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@H](C=C)CC ZINC001158377912 805949461 /nfs/dbraw/zinc/94/94/61/805949461.db2.gz RZYFMLGZRHVOIL-IAGOWNOFSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C1CCC(C(=O)N2CCCC[C@@H]2C[N@H+](C)CCC)CC1 ZINC001158434400 805955097 /nfs/dbraw/zinc/95/50/97/805955097.db2.gz JULDQYZVVDJGSK-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)CC(C)(C)C ZINC001158560073 805967257 /nfs/dbraw/zinc/96/72/57/805967257.db2.gz NBWJBYFDWXZAQZ-JKSUJKDBSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC001252064094 805980137 /nfs/dbraw/zinc/98/01/37/805980137.db2.gz YMJWPRHICWFCBF-INIZCTEOSA-N 1 1 273.376 3.079 20 30 CGEDMO C=CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC001252064094 805980142 /nfs/dbraw/zinc/98/01/42/805980142.db2.gz YMJWPRHICWFCBF-INIZCTEOSA-N 1 1 273.376 3.079 20 30 CGEDMO CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](CC)CCC ZINC001158667258 805982024 /nfs/dbraw/zinc/98/20/24/805982024.db2.gz MYRKOQSUYCBTNF-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](CC)CCC ZINC001158673273 805982563 /nfs/dbraw/zinc/98/25/63/805982563.db2.gz ITKQWFODFILBPG-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@H](C)CC(C)C ZINC001158723581 805990557 /nfs/dbraw/zinc/99/05/57/805990557.db2.gz FIKLOCNNOADZFD-IAGOWNOFSA-N 1 1 292.467 3.005 20 30 CGEDMO C#C[C@@](C)(CC)Nc1[nH+]cnc2c1ccn2C(C)C ZINC001158743752 805996121 /nfs/dbraw/zinc/99/61/21/805996121.db2.gz ZCCOVMFFLYNKAZ-HNNXBMFYSA-N 1 1 256.353 3.226 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@](C)(O)CC1 ZINC001252121998 806009977 /nfs/dbraw/zinc/00/99/77/806009977.db2.gz NWPBLMHSPTWGGP-SJORKVTESA-N 1 1 285.472 3.335 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)C1CCC=CCC1 ZINC001158866145 806015171 /nfs/dbraw/zinc/01/51/71/806015171.db2.gz LRBSAUXHSMECSU-QGZVFWFLSA-N 1 1 290.451 3.232 20 30 CGEDMO CCCCCCCC[C@H](O)C[NH+]1CCN(CCC)CC1 ZINC001252130140 806015450 /nfs/dbraw/zinc/01/54/50/806015450.db2.gz LTWNZJYHIJCESV-KRWDZBQOSA-N 1 1 284.488 3.126 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+](C)Cc1cnccn1 ZINC001252129856 806016506 /nfs/dbraw/zinc/01/65/06/806016506.db2.gz FZKVBBVIWZXPIJ-MRXNPFEDSA-N 1 1 279.428 3.020 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC001252130695 806018810 /nfs/dbraw/zinc/01/88/10/806018810.db2.gz WTCBMKHFLLWUSF-MSOLQXFVSA-N 1 1 296.499 3.126 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CC[C@]2(CCN(C)C2)C1 ZINC001252130695 806018819 /nfs/dbraw/zinc/01/88/19/806018819.db2.gz WTCBMKHFLLWUSF-MSOLQXFVSA-N 1 1 296.499 3.126 20 30 CGEDMO CCCCCCCC[C@H](O)C[NH2+]C[C@H]1CCCN(C)C1 ZINC001252133625 806020824 /nfs/dbraw/zinc/02/08/24/806020824.db2.gz KDMXRGHCAJRKKM-SJORKVTESA-N 1 1 284.488 3.029 20 30 CGEDMO C=CCOC[C@H](O)C[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC001252472902 806048256 /nfs/dbraw/zinc/04/82/56/806048256.db2.gz CFQMDVGKZITEOY-HZPDHXFCSA-N 1 1 295.810 3.040 20 30 CGEDMO C=C[C@](C)(O)CNc1cc[nH+]c2cc(Cl)ccc12 ZINC001252545376 806060276 /nfs/dbraw/zinc/06/02/76/806060276.db2.gz IFAPYDZXJMPAIY-AWEZNQCLSA-N 1 1 262.740 3.237 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)C[C@H]2C=CCC2)CC1 ZINC001159225599 806062655 /nfs/dbraw/zinc/06/26/55/806062655.db2.gz NNEZNSYINDEIGE-KRWDZBQOSA-N 1 1 288.435 3.057 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC001252556006 806064171 /nfs/dbraw/zinc/06/41/71/806064171.db2.gz AFNTUPKJXBBNMH-ZFWWWQNUSA-N 1 1 299.336 3.432 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC001252558814 806066158 /nfs/dbraw/zinc/06/61/58/806066158.db2.gz OHYPXYZOQSARPS-AWEZNQCLSA-N 1 1 285.309 3.001 20 30 CGEDMO C=C(Cl)C[N@H+]1CC=C(CCNC(=O)[C@H](C)CCC)CC1 ZINC001159606978 806130416 /nfs/dbraw/zinc/13/04/16/806130416.db2.gz KNBURGFIQUUJKV-CYBMUJFWSA-N 1 1 298.858 3.314 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)[C@H](C)CCC)CC1 ZINC001159606978 806130418 /nfs/dbraw/zinc/13/04/18/806130418.db2.gz KNBURGFIQUUJKV-CYBMUJFWSA-N 1 1 298.858 3.314 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)/C=C/C2CC2)CC1 ZINC001159685072 806150840 /nfs/dbraw/zinc/15/08/40/806150840.db2.gz CHSWUSZUJSBHRY-AATRIKPKSA-N 1 1 288.435 3.057 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+](C)CC1CCOCC1 ZINC001253233857 806188645 /nfs/dbraw/zinc/18/86/45/806188645.db2.gz PFCQKYFQOADKMZ-KRWDZBQOSA-N 1 1 283.456 3.232 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1C[C@@H](C)[C@@H](F)C1 ZINC001253234315 806188134 /nfs/dbraw/zinc/18/81/34/806188134.db2.gz YUEGCQGCAKDFKN-KFWWJZLASA-N 1 1 257.393 3.164 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCC(=O)[C@H](C)CC1 ZINC001253234203 806188227 /nfs/dbraw/zinc/18/82/27/806188227.db2.gz WKQUFRDBKGJHSY-HZPDHXFCSA-N 1 1 281.440 3.175 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[NH+]1CC(N2CCCCC2)C1 ZINC001253240317 806189901 /nfs/dbraw/zinc/18/99/01/806189901.db2.gz IZUKEPQRIULFKG-GOSISDBHSA-N 1 1 294.483 3.044 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCC[C@H](F)C1 ZINC001253240094 806190153 /nfs/dbraw/zinc/19/01/53/806190153.db2.gz YVLCTZIHVACDPQ-LSDHHAIUSA-N 1 1 257.393 3.308 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+](C)C[C@@H]1CCCCO1 ZINC001253239553 806190701 /nfs/dbraw/zinc/19/07/01/806190701.db2.gz NPMJFURWOFOVCL-IRXDYDNUSA-N 1 1 283.456 3.375 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@@H](C(C)=O)C1 ZINC001253241626 806192211 /nfs/dbraw/zinc/19/22/11/806192211.db2.gz YHQZAOXDLBKIPM-SJORKVTESA-N 1 1 281.440 3.175 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@@H](OC)CC1 ZINC001253240496 806192420 /nfs/dbraw/zinc/19/24/20/806192420.db2.gz MLBQZWDZWVXMEA-DLBZAZTESA-N 1 1 283.456 3.375 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+](CC)CCn1ccnc1 ZINC001253241811 806192782 /nfs/dbraw/zinc/19/27/82/806192782.db2.gz DPFJSCJHXHXGPZ-KRWDZBQOSA-N 1 1 293.455 3.093 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+](CC)C1CCOCC1 ZINC001253238274 806188829 /nfs/dbraw/zinc/18/88/29/806188829.db2.gz BTAUEORZZUDQQY-KRWDZBQOSA-N 1 1 283.456 3.375 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC=C(CCNC(=O)C2(C)CC2)CC1 ZINC001160208292 806235367 /nfs/dbraw/zinc/23/53/67/806235367.db2.gz XLTVSJVMTQJOBE-HNNXBMFYSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC001253579185 806263540 /nfs/dbraw/zinc/26/35/40/806263540.db2.gz NLXABFVAYLCYAF-BXUZGUMPSA-N 1 1 251.757 3.024 20 30 CGEDMO C=C[C@@H](O)C[N@H+]1CCSC[C@H]1c1cccc2ccccc21 ZINC001253585844 806264780 /nfs/dbraw/zinc/26/47/80/806264780.db2.gz CVGFAQMUZXWONA-QAPCUYQASA-N 1 1 299.439 3.477 20 30 CGEDMO C=CC[C@@H]([NH2+][C@@H]1CCCN(C)CC1)c1ccccc1 ZINC001254513636 806435257 /nfs/dbraw/zinc/43/52/57/806435257.db2.gz DTUBSGZPYKBPCQ-IAGOWNOFSA-N 1 1 258.409 3.378 20 30 CGEDMO C[N@@H+]1CCC[C@H](N2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001254516497 806435900 /nfs/dbraw/zinc/43/59/00/806435900.db2.gz NEMNXGKWUOWWLC-SFHVURJKSA-N 1 1 297.446 3.028 20 30 CGEDMO C[N@H+]1CCC[C@H](N2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001254516497 806435904 /nfs/dbraw/zinc/43/59/04/806435904.db2.gz NEMNXGKWUOWWLC-SFHVURJKSA-N 1 1 297.446 3.028 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+]([C@@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC001254556600 806449080 /nfs/dbraw/zinc/44/90/80/806449080.db2.gz KUAUZGMIGASBDO-STQMWFEESA-N 1 1 278.396 3.310 20 30 CGEDMO C=CCO[C@H]1CC[N@H+]([C@@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC001254556600 806449086 /nfs/dbraw/zinc/44/90/86/806449086.db2.gz KUAUZGMIGASBDO-STQMWFEESA-N 1 1 278.396 3.310 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cc3cccc(OC)c3o2)C1 ZINC001254645821 806470088 /nfs/dbraw/zinc/47/00/88/806470088.db2.gz RPOVXVMEJCUOFF-AWEZNQCLSA-N 1 1 287.359 3.218 20 30 CGEDMO N#C[C@H]1CC[C@H]([N@H+](Cc2cccnc2)Cc2ccccn2)C1 ZINC001254663429 806477596 /nfs/dbraw/zinc/47/75/96/806477596.db2.gz BOEVCHAFXJZPAK-YJBOKZPZSA-N 1 1 292.386 3.171 20 30 CGEDMO N#C[C@H]1CC[C@H]([N@@H+](Cc2cccnc2)Cc2ccccn2)C1 ZINC001254663429 806477600 /nfs/dbraw/zinc/47/76/00/806477600.db2.gz BOEVCHAFXJZPAK-YJBOKZPZSA-N 1 1 292.386 3.171 20 30 CGEDMO COc1cccc(-c2nc(C[NH2+][C@H]3CC[C@H](C#N)C3)co2)c1 ZINC001254659013 806477825 /nfs/dbraw/zinc/47/78/25/806477825.db2.gz YQISPMOFHYRNKV-JSGCOSHPSA-N 1 1 297.358 3.132 20 30 CGEDMO N#C[C@H]1CC[C@@H]([NH2+]Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC001254657842 806478448 /nfs/dbraw/zinc/47/84/48/806478448.db2.gz RNZKBUDRHDCBEJ-SMDDNHRTSA-N 1 1 285.322 3.263 20 30 CGEDMO CCCCCCCC[N@@H+](CCN)C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254929620 806512009 /nfs/dbraw/zinc/51/20/09/806512009.db2.gz VPKNJEYOGSRROM-HZPDHXFCSA-N 1 1 294.483 3.365 20 30 CGEDMO CCCCCCCCN(CC[NH3+])C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254929620 806512014 /nfs/dbraw/zinc/51/20/14/806512014.db2.gz VPKNJEYOGSRROM-HZPDHXFCSA-N 1 1 294.483 3.365 20 30 CGEDMO CC[C@H](C#N)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255132146 806550623 /nfs/dbraw/zinc/55/06/23/806550623.db2.gz RZHYTCWKZRFQMO-TVFCKZIOSA-N 1 1 283.419 3.074 20 30 CGEDMO CC[C@@H](CC#N)[NH2+][C@H](CCO)c1cccc(Cl)c1 ZINC001255154088 806555755 /nfs/dbraw/zinc/55/57/55/806555755.db2.gz BHSJAHDSKVSYEC-UONOGXRCSA-N 1 1 266.772 3.045 20 30 CGEDMO CC[C@@H](CC#N)[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC001255156625 806556443 /nfs/dbraw/zinc/55/64/43/806556443.db2.gz MFPMBGLNTGZFEW-IINYFYTJSA-N 1 1 250.292 3.234 20 30 CGEDMO CC[C@H](CC#N)[NH2+]C1(c2ccccc2F)CCOCC1 ZINC001255159812 806558570 /nfs/dbraw/zinc/55/85/70/806558570.db2.gz CAQKUSMQTFIYJM-CYBMUJFWSA-N 1 1 276.355 3.113 20 30 CGEDMO CC[C@H](CC#N)[N@@H+]1CC[C@H](Oc2ccccc2C)C1 ZINC001255172339 806565465 /nfs/dbraw/zinc/56/54/65/806565465.db2.gz NNSMDKSOGZBEFL-CABCVRRESA-N 1 1 258.365 3.140 20 30 CGEDMO CC[C@H](CC#N)[N@H+]1CC[C@H](Oc2ccccc2C)C1 ZINC001255172339 806565473 /nfs/dbraw/zinc/56/54/73/806565473.db2.gz NNSMDKSOGZBEFL-CABCVRRESA-N 1 1 258.365 3.140 20 30 CGEDMO CC[C@@H](CC#N)[N@H+]1CC[C@H](c2ccc(OC)cc2)C1 ZINC001255173649 806566937 /nfs/dbraw/zinc/56/69/37/806566937.db2.gz CURQEBXVQSRBHG-GJZGRUSLSA-N 1 1 258.365 3.177 20 30 CGEDMO CC[C@H](CC#N)N1CC[N@H+](C2CCCCC2)[C@@H](C)C1 ZINC001255176917 806570236 /nfs/dbraw/zinc/57/02/36/806570236.db2.gz IHPQABGKPOYYBH-LSDHHAIUSA-N 1 1 263.429 3.017 20 30 CGEDMO C=C1CC(c2nnc([C@@H]3CC[N@@H+](Cc4ccccc4)C3)o2)C1 ZINC001255413996 806635524 /nfs/dbraw/zinc/63/55/24/806635524.db2.gz IXQJKXZWLJGGSM-OAHLLOKOSA-N 1 1 295.386 3.493 20 30 CGEDMO CC(C)(C)C(=[NH2+])Nc1cc(Br)cc(C#N)n1 ZINC001162666067 806644810 /nfs/dbraw/zinc/64/48/10/806644810.db2.gz YRACTTZODWNUKM-UHFFFAOYSA-N 1 1 281.157 3.151 20 30 CGEDMO C=CC[N@H+]([C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(C)(C)C ZINC001255608586 806680203 /nfs/dbraw/zinc/68/02/03/806680203.db2.gz LAGHGJPMRIKNRX-CYBMUJFWSA-N 1 1 282.428 3.282 20 30 CGEDMO C=CC[N@@H+](C1CCCCC1)C1CCC2(CC1)OCCO2 ZINC001255630518 806683796 /nfs/dbraw/zinc/68/37/96/806683796.db2.gz MYWXKDQDFIMOHI-UHFFFAOYSA-N 1 1 279.424 3.493 20 30 CGEDMO C=CCOc1ccccc1CNC[C@@H](C)[NH+]1CCCCC1 ZINC000038028973 798885264 /nfs/dbraw/zinc/88/52/64/798885264.db2.gz NHDIUTBSGAAXNN-MRXNPFEDSA-N 1 1 288.435 3.215 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)c2ccc(C(C)C)cc2)CC1 ZINC000044587793 798890119 /nfs/dbraw/zinc/89/01/19/798890119.db2.gz VESDWYFSAWUMFI-UHFFFAOYSA-N 1 1 286.419 3.144 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC001255715215 806716759 /nfs/dbraw/zinc/71/67/59/806716759.db2.gz CNYPXOMWXWDEIT-JHJVBQTASA-N 1 1 259.315 3.453 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](c2nccn2C)C1 ZINC000370062996 799341859 /nfs/dbraw/zinc/34/18/59/799341859.db2.gz NUHRHPXZQRLFNI-YOEHRIQHSA-N 1 1 294.402 3.232 20 30 CGEDMO CCCCCCCCC[NH2+][C@@H](C)c1ncn(C)n1 ZINC000391998799 799480998 /nfs/dbraw/zinc/48/09/98/799480998.db2.gz NTXHYYRFPXBUMO-ZDUSSCGKSA-N 1 1 252.406 3.216 20 30 CGEDMO CCCCCCCC[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000404027895 799573638 /nfs/dbraw/zinc/57/36/38/799573638.db2.gz RUZHBJAHIXZRCM-CYBMUJFWSA-N 1 1 263.372 3.296 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CCCC1)c1ccc(C#N)cc1 ZINC000405158358 799581063 /nfs/dbraw/zinc/58/10/63/799581063.db2.gz MGVYAMWOAMDGEB-ZDUSSCGKSA-N 1 1 253.349 3.293 20 30 CGEDMO C#CC[N@H+](C)CCCNc1ncnc2ccc(C(C)C)cc21 ZINC001163411827 806760125 /nfs/dbraw/zinc/76/01/25/806760125.db2.gz ICEUEPSAOWAWBG-UHFFFAOYSA-N 1 1 296.418 3.120 20 30 CGEDMO C=CC[C@H]([NH2+]C[C@H]1C(C)=CCC[C@H]1C)C(=O)OCC ZINC001255854489 806770756 /nfs/dbraw/zinc/77/07/56/806770756.db2.gz SKOOVAPFDKURKK-ILXRZTDVSA-N 1 1 265.397 3.076 20 30 CGEDMO C=CCOC(=O)[C@H](CC(C)C)[NH2+]C1CCCCCC1 ZINC001255881532 806780791 /nfs/dbraw/zinc/78/07/91/806780791.db2.gz MJEQYLQWJINVQO-HNNXBMFYSA-N 1 1 267.413 3.443 20 30 CGEDMO C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000695862737 799835662 /nfs/dbraw/zinc/83/56/62/799835662.db2.gz GJNVBTVRUFOVGO-SJLPKXTDSA-N 1 1 299.462 3.426 20 30 CGEDMO C[C@H](CC(C)(C)C#N)[NH2+]CCCN(C)Cc1ccccc1 ZINC000695859647 799835822 /nfs/dbraw/zinc/83/58/22/799835822.db2.gz PEFCMSMVCKQJLC-MRXNPFEDSA-N 1 1 287.451 3.426 20 30 CGEDMO C[C@H](CCC#N)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702332988 799908502 /nfs/dbraw/zinc/90/85/02/799908502.db2.gz YNBGJONUWGEXOL-NZSAHSFTSA-N 1 1 297.446 3.133 20 30 CGEDMO C[C@H](CCC#N)[N@@H+]1C[C@@H]2CN(Cc3ccccc3)C[C@]2(C)C1 ZINC000702332988 799908510 /nfs/dbraw/zinc/90/85/10/799908510.db2.gz YNBGJONUWGEXOL-NZSAHSFTSA-N 1 1 297.446 3.133 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1C[C@@H]2CN(Cc3ccccc3)C[C@]2(C)C1 ZINC000702332988 799908516 /nfs/dbraw/zinc/90/85/16/799908516.db2.gz YNBGJONUWGEXOL-NZSAHSFTSA-N 1 1 297.446 3.133 20 30 CGEDMO CC[NH+](CC)CC[C@@H](C)N[C@@H]1CCc2c1cccc2C#N ZINC001255948857 806794353 /nfs/dbraw/zinc/79/43/53/806794353.db2.gz QPNPTHCYWGQPCB-RDTXWAMCSA-N 1 1 285.435 3.256 20 30 CGEDMO C[C@]12CN(Cc3ccccc3)C[C@]1(C)C[NH+](CCCC#N)C2 ZINC000705687972 799952314 /nfs/dbraw/zinc/95/23/14/799952314.db2.gz SKKHBHZOLUQQKQ-OALUTQOASA-N 1 1 297.446 3.134 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@H](C2CCCCC2)C1 ZINC000708223940 799983006 /nfs/dbraw/zinc/98/30/06/799983006.db2.gz RXEJIMWKVSJELJ-HOCLYGCPSA-N 1 1 264.413 3.207 20 30 CGEDMO C[NH+](C)C1(C)CCN(CCCCC(C)(C)C#N)CC1 ZINC000709895735 800021347 /nfs/dbraw/zinc/02/13/47/800021347.db2.gz ANXXGYAUNWZVGZ-UHFFFAOYSA-N 1 1 265.445 3.123 20 30 CGEDMO C#CCCC[N@@H+](C)Cc1cscc1Br ZINC000710032475 800027239 /nfs/dbraw/zinc/02/72/39/800027239.db2.gz WEMPFVXZKKMJQR-UHFFFAOYSA-N 1 1 272.211 3.356 20 30 CGEDMO C#CCCC[N@H+](C)Cc1cscc1Br ZINC000710032475 800027246 /nfs/dbraw/zinc/02/72/46/800027246.db2.gz WEMPFVXZKKMJQR-UHFFFAOYSA-N 1 1 272.211 3.356 20 30 CGEDMO C[C@H](COCc1ccccc1)C[N@H+]1CCC[C@@H](C#N)C1 ZINC000719590740 800245069 /nfs/dbraw/zinc/24/50/69/800245069.db2.gz FBXKXAKUCHHIKW-RDJZCZTQSA-N 1 1 272.392 3.075 20 30 CGEDMO C#CCCc1noc([C@@H](c2ccccc2)[NH+](CC)CC)n1 ZINC000809396668 800434773 /nfs/dbraw/zinc/43/47/73/800434773.db2.gz CZZIDLMQWXJQTE-MRXNPFEDSA-N 1 1 283.375 3.067 20 30 CGEDMO COc1ccc(C[N@H+](CCC#N)CC(C)C)c(C)c1OC ZINC000809537730 800442916 /nfs/dbraw/zinc/44/29/16/800442916.db2.gz DBGAMIDVGZKHOV-UHFFFAOYSA-N 1 1 290.407 3.384 20 30 CGEDMO COc1ccc(C[N@@H+](CCC#N)CC(C)C)c(C)c1OC ZINC000809537730 800442918 /nfs/dbraw/zinc/44/29/18/800442918.db2.gz DBGAMIDVGZKHOV-UHFFFAOYSA-N 1 1 290.407 3.384 20 30 CGEDMO CCCCCC[N@H+](C)CC(=O)O[C@@H]1CCC[C@@H](C#N)C1 ZINC000839050042 800494709 /nfs/dbraw/zinc/49/47/09/800494709.db2.gz IPPCSGJVVHIJHP-HUUCEWRRSA-N 1 1 280.412 3.124 20 30 CGEDMO CCCCCC[N@@H+](C)CC(=O)O[C@@H]1CCC[C@@H](C#N)C1 ZINC000839050042 800494711 /nfs/dbraw/zinc/49/47/11/800494711.db2.gz IPPCSGJVVHIJHP-HUUCEWRRSA-N 1 1 280.412 3.124 20 30 CGEDMO C=CC[C@@H]1CCN1C(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000890557851 800559177 /nfs/dbraw/zinc/55/91/77/800559177.db2.gz HZDRJKYPVLNMDR-HUUCEWRRSA-N 1 1 292.810 3.120 20 30 CGEDMO CC(C)[N@@H+](CCCCC#N)CCN(C)C(=O)OC(C)(C)C ZINC000932412047 800665314 /nfs/dbraw/zinc/66/53/14/800665314.db2.gz WOAPQLZRBFCHAJ-UHFFFAOYSA-N 1 1 297.443 3.258 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000933771018 800675925 /nfs/dbraw/zinc/67/59/25/800675925.db2.gz UXWBEPSCRQMOLA-HIFRSBDPSA-N 1 1 276.405 3.009 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1C[C@@H](O)c1ccc(F)cc1Cl ZINC000934459405 800678797 /nfs/dbraw/zinc/67/87/97/800678797.db2.gz BYXIVBGOTJCUFF-SMDDNHRTSA-N 1 1 269.747 3.163 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)c2cscc2C)C1 ZINC001023291888 800708589 /nfs/dbraw/zinc/70/85/89/800708589.db2.gz MSLXEKGNZZGTEH-CQSZACIVSA-N 1 1 292.448 3.074 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C)cc2)C1 ZINC001023717721 800714783 /nfs/dbraw/zinc/71/47/83/800714783.db2.gz JLORLYJGEPBWCX-MRXNPFEDSA-N 1 1 286.419 3.013 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1oc(C)cc1C ZINC001024378880 800726902 /nfs/dbraw/zinc/72/69/02/800726902.db2.gz QBXUEXBFMXGMDR-HNNXBMFYSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccsc1C ZINC001024434386 800727939 /nfs/dbraw/zinc/72/79/39/800727939.db2.gz ZSEJCICETMIYBH-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1sccc1Cl ZINC001024453833 800728702 /nfs/dbraw/zinc/72/87/02/800728702.db2.gz RVXJRVWIPQMEDK-LLVKDONJSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1sccc1Cl ZINC001024453833 800728707 /nfs/dbraw/zinc/72/87/07/800728707.db2.gz RVXJRVWIPQMEDK-LLVKDONJSA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1occc1CC ZINC001024630974 800732619 /nfs/dbraw/zinc/73/26/19/800732619.db2.gz AETVFNDBLMQQME-HNNXBMFYSA-N 1 1 290.407 3.002 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC12CCCC2 ZINC001024745178 800734912 /nfs/dbraw/zinc/73/49/12/800734912.db2.gz PRPCIKYNOIJWLH-CVEARBPZSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C)cc1 ZINC001024773842 800737290 /nfs/dbraw/zinc/73/72/90/800737290.db2.gz LIUUSMZRTVPQRR-KRWDZBQOSA-N 1 1 286.419 3.155 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC(C)C ZINC001025191162 800746729 /nfs/dbraw/zinc/74/67/29/800746729.db2.gz FZGOHPHGZUUYMM-HOTGVXAUSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC1CC1 ZINC001025190622 800747269 /nfs/dbraw/zinc/74/72/69/800747269.db2.gz YPLAVUMXMJDOJG-SJORKVTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C(C)(C)C ZINC001025292371 800753092 /nfs/dbraw/zinc/75/30/92/800753092.db2.gz HWVKGAIUCVGMEZ-CVEARBPZSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2CCCC2)C1 ZINC001025321473 800754770 /nfs/dbraw/zinc/75/47/70/800754770.db2.gz XGCMLLGLLXZOLU-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccco2)C1 ZINC001025318820 800755036 /nfs/dbraw/zinc/75/50/36/800755036.db2.gz CDIIWGWKOGRKQJ-GJZGRUSLSA-N 1 1 290.407 3.076 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccccc2C)C1 ZINC001025326000 800757597 /nfs/dbraw/zinc/75/75/97/800757597.db2.gz KLLDAXBMZLBCAV-CVEARBPZSA-N 1 1 286.419 3.011 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2cc(C)c(C)o2)C1 ZINC001027368516 800793356 /nfs/dbraw/zinc/79/33/56/800793356.db2.gz PNGLFOSWPLSNFO-HNNXBMFYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001027565199 800802770 /nfs/dbraw/zinc/80/27/70/800802770.db2.gz SRTLWCWRDAGTOF-JZXOWHBKSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(C)c1 ZINC001027737624 800818398 /nfs/dbraw/zinc/81/83/98/800818398.db2.gz SGAKELCKAIAKIJ-QGZVFWFLSA-N 1 1 286.419 3.155 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C)sc1C ZINC001028008705 800827474 /nfs/dbraw/zinc/82/74/74/800827474.db2.gz DDASSLNUGHCWCT-AWEZNQCLSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1CNC(=O)C1CCCCCCC1 ZINC001028017109 800827619 /nfs/dbraw/zinc/82/76/19/800827619.db2.gz QLDSWQFWEASZAD-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C1CCC(C(=O)NC[C@H]2CCC[N@@H+]2C[C@@H](C)CC)CC1 ZINC001028116978 800831278 /nfs/dbraw/zinc/83/12/78/800831278.db2.gz LNMJFWNXRVWEQZ-WMLDXEAASA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)cccc1Cl ZINC001028115346 800832389 /nfs/dbraw/zinc/83/23/89/800832389.db2.gz KBITZHGSKOZTGH-ZDUSSCGKSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C)cc(C)c1 ZINC001028284087 800840500 /nfs/dbraw/zinc/84/05/00/800840500.db2.gz YJIRMAMFXCJZDT-QGZVFWFLSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1oc2ccccc2c1C ZINC001028301192 800840542 /nfs/dbraw/zinc/84/05/42/800840542.db2.gz BGYPOTYLRFDEEE-CQSZACIVSA-N 1 1 298.386 3.121 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C)ccc1C ZINC001028286957 800841165 /nfs/dbraw/zinc/84/11/65/800841165.db2.gz GZLQRMNUUYVVOY-MRXNPFEDSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1coc2ccccc12 ZINC001028350192 800845012 /nfs/dbraw/zinc/84/50/12/800845012.db2.gz ZVXNSXOTTMTYTR-AWEZNQCLSA-N 1 1 298.386 3.203 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](CNC(=O)C2CCCCCCC2)C1 ZINC001028681249 800850372 /nfs/dbraw/zinc/85/03/72/800850372.db2.gz RQTGGIMISRNKAJ-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001029013117 800858216 /nfs/dbraw/zinc/85/82/16/800858216.db2.gz XPKKLPCHBLEIAK-CVEARBPZSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC(C)C2)C1 ZINC001029804211 800876280 /nfs/dbraw/zinc/87/62/80/800876280.db2.gz SVBZBCZUGALMSX-PCKAHOCUSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCC[NH+]1CC(NC(=O)c2ccc(C3CCCC3)cc2)C1 ZINC001030688080 800894724 /nfs/dbraw/zinc/89/47/24/800894724.db2.gz PMYQJQAEDDVBII-UHFFFAOYSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C1CCC(C(=O)NC2C[NH+](CCCC3CCC3)C2)CC1 ZINC001030903509 800900541 /nfs/dbraw/zinc/90/05/41/800900541.db2.gz KFVVFRLTJZEIRG-UHFFFAOYSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCC)c1ccccc1 ZINC001032797178 800935828 /nfs/dbraw/zinc/93/58/28/800935828.db2.gz MCTPOOIUYMJSND-BZSNNMDCSA-N 1 1 298.430 3.041 20 30 CGEDMO C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C2CC2)c1 ZINC001032808868 800937152 /nfs/dbraw/zinc/93/71/52/800937152.db2.gz UQTSGBDLWHBFDJ-ROUUACIJSA-N 1 1 296.414 3.039 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001033076066 800953214 /nfs/dbraw/zinc/95/32/14/800953214.db2.gz KYFRGTLZNRPTCP-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(CCC)s2)C1 ZINC001033117549 800954482 /nfs/dbraw/zinc/95/44/82/800954482.db2.gz RLAYSIAVYGELOF-ZDUSSCGKSA-N 1 1 292.448 3.033 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)C2CCCCCCC2)C1 ZINC001033252792 800955387 /nfs/dbraw/zinc/95/53/87/800955387.db2.gz JVZGWNHMWJWPTL-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CCC3CC3)C2)CC1 ZINC001033389838 800963084 /nfs/dbraw/zinc/96/30/84/800963084.db2.gz WGPADQQWPUBZMS-QGZVFWFLSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2Cl)C1 ZINC001033605244 800969747 /nfs/dbraw/zinc/96/97/47/800969747.db2.gz ZNGHQDGCQYXMCF-CYBMUJFWSA-N 1 1 292.810 3.062 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC=CCC2)C1 ZINC001033754770 800982372 /nfs/dbraw/zinc/98/23/72/800982372.db2.gz ZKGPEHBPERRRIK-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001033850986 800986114 /nfs/dbraw/zinc/98/61/14/800986114.db2.gz RIXOJZSQYAQGOW-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC23CCCC3)C1 ZINC001034016296 800993622 /nfs/dbraw/zinc/99/36/22/800993622.db2.gz HHQGCXIVIZTVJU-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(C)cc(C)c2)C1 ZINC001034025383 800994822 /nfs/dbraw/zinc/99/48/22/800994822.db2.gz HHTMMXPHYPXTSD-KRWDZBQOSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2ccccc2C)C1 ZINC001034089633 801004249 /nfs/dbraw/zinc/00/42/49/801004249.db2.gz HHRZVTWDQZRFFP-MRXNPFEDSA-N 1 1 286.419 3.155 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2c(C)coc2C)C1 ZINC001034193847 801010292 /nfs/dbraw/zinc/01/02/92/801010292.db2.gz JAQAFIDAOQHLCU-HNNXBMFYSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CC[N@H+]1CCCC[C@@H](NC(=O)C2CCC3(CC3)CC2)C1 ZINC001034317138 801017016 /nfs/dbraw/zinc/01/70/16/801017016.db2.gz ZJBFJUNKLGZQMS-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CCCC[N@H+](CCCF)C2)CC1 ZINC001034379157 801022958 /nfs/dbraw/zinc/02/29/58/801022958.db2.gz CESCRNOKTTZHCO-INIZCTEOSA-N 1 1 296.430 3.063 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2occc2Cl)C1 ZINC001034381043 801023178 /nfs/dbraw/zinc/02/31/78/801023178.db2.gz MWYNMUIILKWKKJ-LBPRGKRZSA-N 1 1 296.798 3.093 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@H](C)c2cccs2)C1 ZINC001034389931 801024472 /nfs/dbraw/zinc/02/44/72/801024472.db2.gz AHJRLCSUMNBDSK-KGLIPLIRSA-N 1 1 292.448 3.008 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)C2CC3(CC3)C2)C1 ZINC001034391900 801024577 /nfs/dbraw/zinc/02/45/77/801024577.db2.gz QZSICPCDFQDLKS-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@@H+](C/C=C/Cl)C2)C1 ZINC001034390371 801024662 /nfs/dbraw/zinc/02/46/62/801024662.db2.gz ZFABKISABUOAIJ-HZRUHFOJSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC23CCC3)C1 ZINC001034420940 801025857 /nfs/dbraw/zinc/02/58/57/801025857.db2.gz CPIPUSSVTXJSPG-CVEARBPZSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC23CCCC3)C1 ZINC001034477695 801027710 /nfs/dbraw/zinc/02/77/10/801027710.db2.gz PDHQQVIVOLZTFG-HZPDHXFCSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001034477787 801029024 /nfs/dbraw/zinc/02/90/24/801029024.db2.gz PSOCAVICMLVRBJ-HOTGVXAUSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)C1CCC1)CC2 ZINC001035147568 801050275 /nfs/dbraw/zinc/05/02/75/801050275.db2.gz KLLZZQBFDUVKLJ-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C)CC)CC2 ZINC001035158964 801052933 /nfs/dbraw/zinc/05/29/33/801052933.db2.gz WLZLRMBJWMEFMS-ZDUSSCGKSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)C1(CC)CC1)CC2 ZINC001035225972 801055284 /nfs/dbraw/zinc/05/52/84/801055284.db2.gz GWYIRDSUYAGUMN-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)C1(C)CCC1)CC2 ZINC001035218353 801055861 /nfs/dbraw/zinc/05/58/61/801055861.db2.gz POGRBLCHQVEESH-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)C(C)(C)C)CC2 ZINC001035249136 801057605 /nfs/dbraw/zinc/05/76/05/801057605.db2.gz JRQDNTXMXIHDCP-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)C=CCC2 ZINC001038800753 801134441 /nfs/dbraw/zinc/13/44/41/801134441.db2.gz AKUUXYKZIHYJNJ-GOSISDBHSA-N 1 1 296.414 3.026 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(C2CCCC2)c1 ZINC001038913796 801136049 /nfs/dbraw/zinc/13/60/49/801136049.db2.gz LSGPLZZUOXMMLR-SFHVURJKSA-N 1 1 298.430 3.334 20 30 CGEDMO C=CC[N@H+]1CC[C@H]1CNC(=O)c1cccc(C2CCCC2)c1 ZINC001038913796 801136051 /nfs/dbraw/zinc/13/60/51/801136051.db2.gz LSGPLZZUOXMMLR-SFHVURJKSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(C2CC2)c1 ZINC001039059000 801143889 /nfs/dbraw/zinc/14/38/89/801143889.db2.gz CREXQNZPRHXJPG-GOSISDBHSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)C=C(C)C)CC2)C1 ZINC001039103949 801148145 /nfs/dbraw/zinc/14/81/45/801148145.db2.gz LKRLMLYAIYVCEK-QGZVFWFLSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C2CCN(C(=O)CC(C)C)CC2)C1 ZINC001039110106 801149592 /nfs/dbraw/zinc/14/95/92/801149592.db2.gz XHNPFVHGYGFRIH-KRWDZBQOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C(C)(C)F)C1 ZINC001039178601 801150686 /nfs/dbraw/zinc/15/06/86/801150686.db2.gz SWFZKAGHIOGTBK-CABCVRRESA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C2CCC2)C1 ZINC001039177410 801150926 /nfs/dbraw/zinc/15/09/26/801150926.db2.gz DJCDXHXYZYNVLV-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)CC ZINC001039336216 801159185 /nfs/dbraw/zinc/15/91/85/801159185.db2.gz WGEXPWDWJHRGTR-XHSDSOJGSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC(C)(C)C1 ZINC001039431865 801162130 /nfs/dbraw/zinc/16/21/30/801162130.db2.gz WETUAOCUBBAMQQ-XHSDSOJGSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)C(C)C)C2)C1 ZINC001040218470 801175420 /nfs/dbraw/zinc/17/54/20/801175420.db2.gz ZTXXKTFPAOSBKJ-GOSISDBHSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)C3CCCCCC3)C2)C1 ZINC001041129404 801186252 /nfs/dbraw/zinc/18/62/52/801186252.db2.gz ZRKCHLDJWUODTR-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C1CCC(C(=O)N2CC[C@]3(CC[N@H+](CCC)C3)C2)CC1 ZINC001041635294 801192274 /nfs/dbraw/zinc/19/22/74/801192274.db2.gz LHEIKCBHLXGTSB-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@@]2(CC[N@@H+](CC(C)C)C2)C1 ZINC001041638672 801193229 /nfs/dbraw/zinc/19/32/29/801193229.db2.gz OQGHKMUHJSOYDK-ZWKOTPCHSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CCN(C(=O)c3cccc(C)c3)C[C@@H]21 ZINC001041912071 801197331 /nfs/dbraw/zinc/19/73/31/801197331.db2.gz FJDQUUSPGWEQPS-WMZOPIPTSA-N 1 1 298.430 3.108 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)C3CCCCCC3)C[C@@H]21 ZINC001041974186 801198600 /nfs/dbraw/zinc/19/86/00/801198600.db2.gz ZPCSRQOKNZHLEI-WBVHZDCISA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C(F)=C(C)C)C[C@H]21 ZINC001042004689 801200037 /nfs/dbraw/zinc/20/00/37/801200037.db2.gz CQPPVYFOAWUDFV-HUUCEWRRSA-N 1 1 294.414 3.139 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)CCC3CCC3)C[C@@H]21 ZINC001042008738 801200855 /nfs/dbraw/zinc/20/08/55/801200855.db2.gz XOLQYOTXMRLLRZ-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](CCC(C)C)[C@H]2C1 ZINC001042183135 801202319 /nfs/dbraw/zinc/20/23/19/801202319.db2.gz OFGGJVBAFQVAHS-HOTGVXAUSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]2CCN(C(=O)C(C)(C)CC)C[C@@H]21 ZINC001042206362 801204115 /nfs/dbraw/zinc/20/41/15/801204115.db2.gz DVVUAAZVMYPMPS-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(=C)C ZINC001045827346 801287658 /nfs/dbraw/zinc/28/76/58/801287658.db2.gz LGIUPPSRFOTQCX-CVEARBPZSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCC)C2 ZINC001045906488 801290089 /nfs/dbraw/zinc/29/00/89/801290089.db2.gz BMUPCEVPADLSRM-SFHVURJKSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)C=C)C2 ZINC001045957181 801295687 /nfs/dbraw/zinc/29/56/87/801295687.db2.gz XTRGXVARGCKMKM-GOSISDBHSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)C2CCCCCC2)C1 ZINC001046176617 801303690 /nfs/dbraw/zinc/30/36/90/801303690.db2.gz BRKVMCATOQVYGE-QGZVFWFLSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)C2=CCCCCC2)C1 ZINC001046264510 801304419 /nfs/dbraw/zinc/30/44/19/801304419.db2.gz KSPHXWLXPXNEDD-GOSISDBHSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001046320399 801307158 /nfs/dbraw/zinc/30/71/58/801307158.db2.gz IRYXJIIAFFGPKZ-NVXWUHKLSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001046337677 801309142 /nfs/dbraw/zinc/30/91/42/801309142.db2.gz ATORBNSXZKSYAH-WMZOPIPTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(CCC)s2)C1 ZINC001046352087 801310498 /nfs/dbraw/zinc/31/04/98/801310498.db2.gz UKFRPHLUIDAWSN-MRXNPFEDSA-N 1 1 292.448 3.081 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001046550271 801313821 /nfs/dbraw/zinc/31/38/21/801313821.db2.gz FRIZELZJVHSHKR-CRAIPNDOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C1CCC(C(=O)N[C@@]2(C)CC[N@H+](C[C@@H](C)CC)C2)CC1 ZINC001046595192 801316026 /nfs/dbraw/zinc/31/60/26/801316026.db2.gz XZBVGNINYYALLK-KSSFIOAISA-N 1 1 292.467 3.360 20 30 CGEDMO C[C@@H]1CN(c2cc(F)ccc2C#N)CC[N@H+]1C1CCCC1 ZINC001164145829 806901359 /nfs/dbraw/zinc/90/13/59/806901359.db2.gz HQOQFWKCAFDUSL-CYBMUJFWSA-N 1 1 287.382 3.150 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)c2oc3ccccc3c2C)C1 ZINC001046817503 801326600 /nfs/dbraw/zinc/32/66/00/801326600.db2.gz CUWJSDWJJPQEPW-SFHVURJKSA-N 1 1 298.386 3.121 20 30 CGEDMO C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1=CCCC1)C2 ZINC001048515789 801351147 /nfs/dbraw/zinc/35/11/47/801351147.db2.gz IDLNRWXZGOTJNU-ACHSLPGTSA-N 1 1 288.435 3.032 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC(C)(C)C ZINC001049328081 801364199 /nfs/dbraw/zinc/36/41/99/801364199.db2.gz ROSLURURKANBDV-UONOGXRCSA-N 1 1 298.858 3.240 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC(C)(C)C ZINC001049328081 801364208 /nfs/dbraw/zinc/36/42/08/801364208.db2.gz ROSLURURKANBDV-UONOGXRCSA-N 1 1 298.858 3.240 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(CC)CC ZINC001049345329 801367661 /nfs/dbraw/zinc/36/76/61/801367661.db2.gz UFEQABKYCICKBA-JKSUJKDBSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC=C(C)C ZINC001049633436 801377347 /nfs/dbraw/zinc/37/73/47/801377347.db2.gz BTKQQDKLXDYQOP-JKSUJKDBSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC1CC1 ZINC001049634139 801379823 /nfs/dbraw/zinc/37/98/23/801379823.db2.gz PAWBMYDBRHFUEC-JKSUJKDBSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC(C)C ZINC001049636785 801380446 /nfs/dbraw/zinc/38/04/46/801380446.db2.gz DPOSSMNQLSBGRL-HOTGVXAUSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](F)C(C)C ZINC001049656908 801382307 /nfs/dbraw/zinc/38/23/07/801382307.db2.gz KFNWIFXJBBXGMV-BZUAXINKSA-N 1 1 296.430 3.012 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1(C)CCCCC1 ZINC001049696021 801384729 /nfs/dbraw/zinc/38/47/29/801384729.db2.gz WZOJFRXOPVXURQ-HZPDHXFCSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@H]1CC ZINC001049739195 801387358 /nfs/dbraw/zinc/38/73/58/801387358.db2.gz XVKWYTKBOFPCDV-QBPKDAKJSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(CC)CCCC1 ZINC001049814824 801388815 /nfs/dbraw/zinc/38/88/15/801388815.db2.gz BCMKGUIHVHGNGD-JKSUJKDBSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C2(C3CC3)CC2)CC1 ZINC001052473747 801433980 /nfs/dbraw/zinc/43/39/80/801433980.db2.gz DJCSKXQFBDQSSZ-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)C2CCC2)CC1 ZINC001052483163 801436060 /nfs/dbraw/zinc/43/60/60/801436060.db2.gz FAYKWVXQEZGNRC-DZGCQCFKSA-N 1 1 298.858 3.146 20 30 CGEDMO C[C@@H]1C[C@@H](NC2(C#N)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC001256528018 806910829 /nfs/dbraw/zinc/91/08/29/806910829.db2.gz XDUIBQYNAOGVTI-AEFFLSMTSA-N 1 1 297.446 3.465 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CCC[N@H+](C(C)C)CC2)CC1 ZINC001052678055 801444027 /nfs/dbraw/zinc/44/40/27/801444027.db2.gz SWHSXUFOWIMHLO-INIZCTEOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)c2ccc(C=C)cc2)CC1 ZINC001052735062 801448229 /nfs/dbraw/zinc/44/82/29/801448229.db2.gz FHOYHZRJUICSGY-SFHVURJKSA-N 1 1 298.430 3.490 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)c2ccsc2)CC1 ZINC001052701260 801449305 /nfs/dbraw/zinc/44/93/05/801449305.db2.gz BRLSRGOENKGEGC-UKRRQHHQSA-N 1 1 292.448 3.008 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)C2CCCC2)CC1 ZINC001052856781 801453725 /nfs/dbraw/zinc/45/37/25/801453725.db2.gz FQJBNYJWBPOBFU-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)CC1 ZINC001052884373 801455636 /nfs/dbraw/zinc/45/56/36/801455636.db2.gz XQTHQHWFSWWCKY-ULQDDVLXSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C=C(C)C)C1 ZINC001053061284 801465510 /nfs/dbraw/zinc/46/55/10/801465510.db2.gz PGPUZIVBDHZKAP-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C2CC2)C1 ZINC001053060012 801466234 /nfs/dbraw/zinc/46/62/34/801466234.db2.gz BQGLYWUQUCUYAE-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC(C)(C)C)C2 ZINC001054088225 801473329 /nfs/dbraw/zinc/47/33/29/801473329.db2.gz RYDUVUKPAAGQBH-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)C(C)C)C2 ZINC001054206232 801480155 /nfs/dbraw/zinc/48/01/55/801480155.db2.gz BMPFDUORFQNNQC-FUHWJXTLSA-N 1 1 292.467 3.169 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C1 ZINC001256553522 806914156 /nfs/dbraw/zinc/91/41/56/806914156.db2.gz HXVPDIPFWPWXLD-NLWGTHIKSA-N 1 1 296.458 3.385 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2cccc(C)c2)CC[C@H]1C ZINC001071317240 801526742 /nfs/dbraw/zinc/52/67/42/801526742.db2.gz QCEBRVPGCXJKFK-NVXWUHKLSA-N 1 1 286.419 3.154 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccccc2C)CC[C@H]1C ZINC001071319759 801527776 /nfs/dbraw/zinc/52/77/76/801527776.db2.gz UQFANJBKUFHOCW-CVEARBPZSA-N 1 1 286.419 3.154 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C2CCCCC2)CC[C@H]1C ZINC001071322137 801528795 /nfs/dbraw/zinc/52/87/95/801528795.db2.gz TZPDZFHCLZAKIH-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccoc2Cl)CC[C@@H]1C ZINC001071453829 801537227 /nfs/dbraw/zinc/53/72/27/801537227.db2.gz AIKVIGUCQARXBE-RYUDHWBXSA-N 1 1 296.798 3.092 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)C2=CCCCCC2)CC[C@@H]1C ZINC001071457993 801537317 /nfs/dbraw/zinc/53/73/17/801537317.db2.gz OVHVMYALXWPLOM-DOTOQJQBSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cscc2Cl)CC[C@H]1C ZINC001071593668 801542543 /nfs/dbraw/zinc/54/25/43/801542543.db2.gz FJRCCLNHIUBTSU-MNOVXSKESA-N 1 1 298.839 3.170 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC=C(C)C)C2)C1 ZINC001071804159 801553639 /nfs/dbraw/zinc/55/36/39/801553639.db2.gz XQZHKEXNUCJCFG-CVEARBPZSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccsc2Cl)CC[C@H]1C ZINC001071868012 801556897 /nfs/dbraw/zinc/55/68/97/801556897.db2.gz GFGDRGGPLNWRCD-MNOVXSKESA-N 1 1 298.839 3.170 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)CC[C@H]1C ZINC001072006132 801559544 /nfs/dbraw/zinc/55/95/44/801559544.db2.gz QWLRQNRGDFJMJW-VQHPVUNQSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cccc(C)c2C)CC[C@H]1C ZINC001072041250 801561447 /nfs/dbraw/zinc/56/14/47/801561447.db2.gz VRYUORICASGYMG-ZBFHGGJFSA-N 1 1 286.419 3.072 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC2(C1)CC[N@H+](C[C@@H](C)CC)C2 ZINC001072944575 801574737 /nfs/dbraw/zinc/57/47/37/801574737.db2.gz GTHMQPRWWNUKSU-DOTOQJQBSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1CCC2(CN(C(=O)c3ccc(C(C)C)cc3)C2)C1 ZINC001073146475 801579849 /nfs/dbraw/zinc/57/98/49/801579849.db2.gz SWEBILUIGMSSFM-UHFFFAOYSA-N 1 1 298.430 3.144 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)CC3(C)CCCCC3)[C@@H]2C1 ZINC001076021103 801614147 /nfs/dbraw/zinc/61/41/47/801614147.db2.gz ABSPNFKPMGKPID-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001080407435 801652117 /nfs/dbraw/zinc/65/21/17/801652117.db2.gz AZIRJIVKEMVSOL-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C)cc3)[C@@H]2C1 ZINC001084793070 801669890 /nfs/dbraw/zinc/66/98/90/801669890.db2.gz ITUVAYKPHPSLTN-QZTJIDSGSA-N 1 1 298.430 3.108 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](C[C@@H](C)CC)[C@H]2C1 ZINC001085004710 801675308 /nfs/dbraw/zinc/67/53/08/801675308.db2.gz CXAINKOJRJESTJ-XHSDSOJGSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1sc(C)cc1C ZINC001085618617 801698760 /nfs/dbraw/zinc/69/87/60/801698760.db2.gz RJCANDXUFNWALO-CQSZACIVSA-N 1 1 292.448 3.087 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1sc(C)cc1C ZINC001085618617 801698765 /nfs/dbraw/zinc/69/87/65/801698765.db2.gz RJCANDXUFNWALO-CQSZACIVSA-N 1 1 292.448 3.087 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(C(C)C)c1 ZINC001085908294 801709582 /nfs/dbraw/zinc/70/95/82/801709582.db2.gz FTPSTAYELQVXKC-QGZVFWFLSA-N 1 1 286.419 3.142 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(C(C)C)c1 ZINC001085908294 801709586 /nfs/dbraw/zinc/70/95/86/801709586.db2.gz FTPSTAYELQVXKC-QGZVFWFLSA-N 1 1 286.419 3.142 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccsc1Cl ZINC001085857237 801710297 /nfs/dbraw/zinc/71/02/97/801710297.db2.gz TXAMCLYSKUYPDO-NSHDSACASA-N 1 1 298.839 3.124 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(Cl)c1 ZINC001085940611 801711667 /nfs/dbraw/zinc/71/16/67/801711667.db2.gz KSCWZVKKUDOYJR-OAHLLOKOSA-N 1 1 292.810 3.062 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2CCCCC2)[C@H]1CC ZINC001087489633 801750161 /nfs/dbraw/zinc/75/01/61/801750161.db2.gz IOKRCADVURQKOP-JKSUJKDBSA-N 1 1 278.440 3.112 20 30 CGEDMO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCCC)[C@@H]2CC)cc1 ZINC001087682042 801762295 /nfs/dbraw/zinc/76/22/95/801762295.db2.gz CIJREFJPAFFOHG-ZWKOTPCHSA-N 1 1 298.430 3.051 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](C[C@H](C)CC)[C@@H]2CC)C1 ZINC001087717864 801766167 /nfs/dbraw/zinc/76/61/67/801766167.db2.gz QRBOBSDLHPBZAR-VNQPRFMTSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2CC(C(C)(C)C)C2)[C@H]1CC ZINC001087845872 801771718 /nfs/dbraw/zinc/77/17/18/801771718.db2.gz WLBKSFQAEWEARD-SSHXOBKSSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C(C)(C)C)C[C@@H]2C1 ZINC001088013456 801773892 /nfs/dbraw/zinc/77/38/92/801773892.db2.gz GAYXCPSQCGLYEP-XHSDSOJGSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CC2=CCCCC2)[C@H]1C ZINC001088495290 801797040 /nfs/dbraw/zinc/79/70/40/801797040.db2.gz LEFIMAMCPPCRNP-ZBFHGGJFSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC3(CC3)C2)[C@H]1C ZINC001088565214 801802558 /nfs/dbraw/zinc/80/25/58/801802558.db2.gz HDSISZFKAZKJDQ-OAGGEKHMSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC=CCC2)[C@H]1C ZINC001088797859 801805692 /nfs/dbraw/zinc/80/56/92/801805692.db2.gz PUMLODHWBRYTGA-ZACQAIPSSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC)[C@H]1C ZINC001088825484 801809783 /nfs/dbraw/zinc/80/97/83/801809783.db2.gz JRGUUYVWNDOJDO-PBHICJAKSA-N 1 1 286.419 3.018 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[N@H+](C[C@@H](F)CC)[C@@H]2C)CC1 ZINC001088838617 801812448 /nfs/dbraw/zinc/81/24/48/801812448.db2.gz SLWZFAAWPICJRR-KBMXLJTQSA-N 1 1 296.430 3.060 20 30 CGEDMO C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001089683526 801847963 /nfs/dbraw/zinc/84/79/63/801847963.db2.gz YTZZGZQFXVBJHW-OWCLPIDISA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C)CCCC1)C2 ZINC001095831741 801884909 /nfs/dbraw/zinc/88/49/09/801884909.db2.gz FERPLMVUZRVHEM-PMPSAXMXSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1C=CCCC1)C2 ZINC001095607040 801885826 /nfs/dbraw/zinc/88/58/26/801885826.db2.gz NNCURWJZCWZSRP-YVSFHVDLSA-N 1 1 288.435 3.030 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC1(C)C)C2 ZINC001095885040 801886269 /nfs/dbraw/zinc/88/62/69/801886269.db2.gz MZKNYYPUKLWYQU-UGUYLWEFSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)c1ccccc1)C2 ZINC001098233016 801907747 /nfs/dbraw/zinc/90/77/47/801907747.db2.gz AKYSQNFKVIKWAB-HPBDAGMYSA-N 1 1 298.430 3.088 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(C3CC3)c1)C2 ZINC001098471262 801908622 /nfs/dbraw/zinc/90/86/22/801908622.db2.gz KVJMQYZOCUVNNJ-KURKYZTESA-N 1 1 296.414 3.085 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C)CCC(C)CC1)C2 ZINC001098478227 801908901 /nfs/dbraw/zinc/90/89/01/801908901.db2.gz BVVNEZABSIXYNC-YLADIXGZSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cccc(C)c1C)C2 ZINC001098315534 801909142 /nfs/dbraw/zinc/90/91/42/801909142.db2.gz AGRSVDRAZNZDED-NXHRZFHOSA-N 1 1 298.430 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C=C2CCC2)C1 ZINC001098786248 801913715 /nfs/dbraw/zinc/91/37/15/801913715.db2.gz WYDLIOBSDNFAFZ-WMZOPIPTSA-N 1 1 288.435 3.034 20 30 CGEDMO C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H]1C=CCC1 ZINC001098888375 801917950 /nfs/dbraw/zinc/91/79/50/801917950.db2.gz MOTRFULKIUXAGJ-HZPDHXFCSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)CC ZINC001098917105 801920576 /nfs/dbraw/zinc/92/05/76/801920576.db2.gz VZRZCSDCAQJGBY-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC(=C)C ZINC001098966187 801922196 /nfs/dbraw/zinc/92/21/96/801922196.db2.gz HUVXQXZXXJANDR-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)CCCC ZINC001099048335 801925765 /nfs/dbraw/zinc/92/57/65/801925765.db2.gz FKFHWKSSGBVHFL-HOTGVXAUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC(C)(C)C=C ZINC001099094052 801927792 /nfs/dbraw/zinc/92/77/92/801927792.db2.gz WNUHJJOJTCTPDX-HNNXBMFYSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)C(C)C ZINC001099098210 801928746 /nfs/dbraw/zinc/92/87/46/801928746.db2.gz LXIQCQVHYMUVLI-HNNXBMFYSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)C(=C)C ZINC001099171493 801930678 /nfs/dbraw/zinc/93/06/78/801930678.db2.gz QHBGODRHQXWLBX-HNNXBMFYSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CCC(C)(C)C[N@@H+]2CC)CCC1 ZINC001099224814 801934793 /nfs/dbraw/zinc/93/47/93/801934793.db2.gz IYLSWYTXVYZCAL-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)CCCC)C[C@]2(C)C1 ZINC001101129946 801972339 /nfs/dbraw/zinc/97/23/39/801972339.db2.gz RTYQSCLYVARXOI-JZXOWHBKSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H](C)CCC)C[C@]2(C)C1 ZINC001101165350 801973466 /nfs/dbraw/zinc/97/34/66/801973466.db2.gz VEVBDURJGUNSLV-JZXOWHBKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1C[C@H]2C[N@H+](CCCC)C[C@@]2(C)C1 ZINC001101337981 801975132 /nfs/dbraw/zinc/97/51/32/801975132.db2.gz STRTTXHVDQFHHD-JZXOWHBKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC(C)(C)C(=O)N1C[C@H]2C[N@H+](CCCCC)C[C@@]2(C)C1 ZINC001101321838 801976515 /nfs/dbraw/zinc/97/65/15/801976515.db2.gz PUIRBYXOJIOOBH-QAPCUYQASA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CN(C(=O)C[C@H](CC)C(C)C)C[C@]2(C)C1 ZINC001101434121 801979958 /nfs/dbraw/zinc/97/99/58/801979958.db2.gz CLLMVDKCKLHNDM-JZXOWHBKSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](CNC(=O)C2(CC(C)C)CC2)[C@H](C)C1 ZINC001102033817 801997715 /nfs/dbraw/zinc/99/77/15/801997715.db2.gz BFTKEYKOLGEVLH-HZPDHXFCSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C(C)(C)C=C)[C@H](C)C1 ZINC001102230168 801999926 /nfs/dbraw/zinc/99/99/26/801999926.db2.gz VPOIULOKDPNGAV-BZUAXINKSA-N 1 1 292.467 3.237 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)CCC)C1 ZINC001102789683 802019785 /nfs/dbraw/zinc/01/97/85/802019785.db2.gz MBTSDLIGFDTPAL-BZUAXINKSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC2(C)C)C1 ZINC001102872602 802022946 /nfs/dbraw/zinc/02/29/46/802022946.db2.gz NUMATZPRXWBBLR-OAGGEKHMSA-N 1 1 292.467 3.073 20 30 CGEDMO C#CCCCC(=O)NCC[C@@H]1C[N@@H+](CCCCC)C[C@H]1C ZINC001102916974 802023069 /nfs/dbraw/zinc/02/30/69/802023069.db2.gz GWQIWNSTEYVTPK-IAGOWNOFSA-N 1 1 292.467 3.054 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)C(C)(C)C)C1 ZINC001103145895 802026750 /nfs/dbraw/zinc/02/67/50/802026750.db2.gz UIZPSVRRNPCNNE-OWCLPIDISA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)C(C)(C)C)C1 ZINC001103145695 802027588 /nfs/dbraw/zinc/02/75/88/802027588.db2.gz PTTISMDEEZZSIC-BZUAXINKSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)C(C)(C)C)C1 ZINC001103145696 802027820 /nfs/dbraw/zinc/02/78/20/802027820.db2.gz PTTISMDEEZZSIC-OWCLPIDISA-N 1 1 294.483 3.319 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2(C)CC2)C1 ZINC001103244270 802028819 /nfs/dbraw/zinc/02/88/19/802028819.db2.gz PTFREJUCSIFSME-TZMCWYRMSA-N 1 1 298.858 3.003 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC2CC2)C1 ZINC001103343128 802031805 /nfs/dbraw/zinc/03/18/05/802031805.db2.gz OBOOJBVNMZBTDO-NVXWUHKLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001103415647 802034792 /nfs/dbraw/zinc/03/47/92/802034792.db2.gz KCMFMKPJHRNJTP-QBPKDAKJSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CCC)C(C)C)C1 ZINC001103483997 802035545 /nfs/dbraw/zinc/03/55/45/802035545.db2.gz ZGCFQKVZAYNALF-ZACQAIPSSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC(C)(C)C)C1 ZINC001103551903 802036008 /nfs/dbraw/zinc/03/60/08/802036008.db2.gz TXEOBRSDLOOREA-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)CC(C)(C)C=C)CCC[C@@H]12 ZINC001107420500 802087044 /nfs/dbraw/zinc/08/70/44/802087044.db2.gz FHVHVUIUBUEVSK-CRAIPNDOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)C=C3CCC3)CCC[C@@H]12 ZINC001107360471 802087779 /nfs/dbraw/zinc/08/77/79/802087779.db2.gz NAQBTDPDKMJJSL-SJLPKXTDSA-N 1 1 288.435 3.034 20 30 CGEDMO C=C(C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC1CC1)CC2 ZINC001107424499 802088202 /nfs/dbraw/zinc/08/82/02/802088202.db2.gz QTOLOYJUWGOFQT-SJLPKXTDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(CC)CC)C2 ZINC001108960808 802106656 /nfs/dbraw/zinc/10/66/56/802106656.db2.gz VZONJTMFRSKTJO-PMPSAXMXSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C(C)=C/CC)C2 ZINC001109009110 802106958 /nfs/dbraw/zinc/10/69/58/802106958.db2.gz HRRADUYUZDHLMK-PBMXCAIQSA-N 1 1 290.451 3.419 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C=C\C(C)(C)C)C2 ZINC001109085895 802108115 /nfs/dbraw/zinc/10/81/15/802108115.db2.gz MMMYYDNPKCJALI-HBBMOYBLSA-N 1 1 290.451 3.276 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(C)(C)C=C)C2 ZINC001109343453 802113986 /nfs/dbraw/zinc/11/39/86/802113986.db2.gz ZGYNEKINAHMZRI-PMPSAXMXSA-N 1 1 290.451 3.276 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC1(C)C)C2 ZINC001109620935 802118214 /nfs/dbraw/zinc/11/82/14/802118214.db2.gz UVXLQCVPRAXSDE-UGUYLWEFSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C=C)C2 ZINC001109601651 802118693 /nfs/dbraw/zinc/11/86/93/802118693.db2.gz JUNPIDOVMXQSFJ-WCVJEAGWSA-N 1 1 290.451 3.275 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCCF ZINC001109604522 802119510 /nfs/dbraw/zinc/11/95/10/802119510.db2.gz MJTMFCKWITXRPT-ILXRZTDVSA-N 1 1 296.430 3.060 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1 ZINC001109632803 802120350 /nfs/dbraw/zinc/12/03/50/802120350.db2.gz DBXVZAALJINIMF-SIXLDLHFSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CCC)C(C)C)C2 ZINC001109780549 802124773 /nfs/dbraw/zinc/12/47/73/802124773.db2.gz XCRCJMNXMDUYKC-NCOADZHNSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC(CC)CC)C2 ZINC001109893152 802127511 /nfs/dbraw/zinc/12/75/11/802127511.db2.gz YNYGCTWKOZOQRM-PMPSAXMXSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CCCC)C(C)C)C2 ZINC001110163000 802131806 /nfs/dbraw/zinc/13/18/06/802131806.db2.gz QAHRJDSGDSJHOM-QZWWFDLISA-N 1 1 292.467 3.356 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H](C)c1ccccc1)C2 ZINC001110065447 802132017 /nfs/dbraw/zinc/13/20/17/802132017.db2.gz FRJIMBGMMFHKKD-RANZSIQMSA-N 1 1 298.430 3.088 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)C1CC1)C2 ZINC001110166720 802132698 /nfs/dbraw/zinc/13/26/98/802132698.db2.gz PEINPBYRKGGWHT-SIXLDLHFSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(CCC)CCC)C2 ZINC001110954423 802150698 /nfs/dbraw/zinc/15/06/98/802150698.db2.gz OTOFXAMXBUEZQZ-OAGGEKHMSA-N 1 1 278.440 3.110 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)CC(C)C)C2 ZINC001111266387 802158103 /nfs/dbraw/zinc/15/81/03/802158103.db2.gz CHBUCJUWZMQAFI-VQHPVUNQSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC1(C)CC1)C2 ZINC001111226767 802158522 /nfs/dbraw/zinc/15/85/22/802158522.db2.gz TZDINUMOHUMLRS-OAGGEKHMSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC(C)(C)C)C1 ZINC001111593948 802163058 /nfs/dbraw/zinc/16/30/58/802163058.db2.gz SBDHSLGBWLGGQB-YJBOKZPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)CC)C1 ZINC001111728546 802167155 /nfs/dbraw/zinc/16/71/55/802167155.db2.gz GUKMULIZFAIVAL-BQFCYCMXSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(C)C)C2 ZINC001111760827 802168895 /nfs/dbraw/zinc/16/88/95/802168895.db2.gz QAYFUPLOESGIEQ-YJBOKZPZSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(C)C)C2 ZINC001111850943 802170048 /nfs/dbraw/zinc/17/00/48/802170048.db2.gz ZVAMRBCSKPXZQZ-BQFCYCMXSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H](C)CC)C1 ZINC001111912890 802172094 /nfs/dbraw/zinc/17/20/94/802172094.db2.gz UFLNAIPOKMMVQC-RYRKJORJSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCCCC)C1 ZINC001111965831 802172139 /nfs/dbraw/zinc/17/21/39/802172139.db2.gz VSJXFUQMJUNZFB-RDJZCZTQSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC(=O)N1CC[NH+](Cc2ccccc2C2CC2)CC1 ZINC001112688497 802186372 /nfs/dbraw/zinc/18/63/72/802186372.db2.gz PPGVTZOTKGTZDD-UHFFFAOYSA-N 1 1 298.430 3.174 20 30 CGEDMO C=CCC1(C(=O)N2CC[NH+](CCCCCF)CC2)CCC1 ZINC001113314558 802215251 /nfs/dbraw/zinc/21/52/51/802215251.db2.gz MJERZKPMHLJKPN-UHFFFAOYSA-N 1 1 296.430 3.017 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)C[C@H](CC)C(C)(C)C)CC1 ZINC001113528478 802228564 /nfs/dbraw/zinc/22/85/64/802228564.db2.gz BEBHACMLVLWFRS-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCCC(C)(C)C ZINC001114324149 802240584 /nfs/dbraw/zinc/24/05/84/802240584.db2.gz RXJOQYCATRFQKC-QLPKVWCKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)CCCCCC ZINC001114992137 802249405 /nfs/dbraw/zinc/24/94/05/802249405.db2.gz PCFBFKQYCKUSHX-NCOADZHNSA-N 1 1 292.467 3.215 20 30 CGEDMO Cc1ccc(N=NC2C[C@@H](C)[N@H+](C)C2)cc1Cl ZINC001116276563 802321967 /nfs/dbraw/zinc/32/19/67/802321967.db2.gz UDSLQAQPEXGBJK-SNVBAGLBSA-N 1 1 251.761 3.140 20 30 CGEDMO C#CC[N@H+](Cc1cc(Br)cs1)CC1CC1 ZINC001116447744 802353817 /nfs/dbraw/zinc/35/38/17/802353817.db2.gz UUXZFUGQQQNPMC-UHFFFAOYSA-N 1 1 284.222 3.356 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2coc3ccccc23)C1 ZINC001116575481 802380455 /nfs/dbraw/zinc/38/04/55/802380455.db2.gz BYEXKSDCTVASCG-AWEZNQCLSA-N 1 1 257.333 3.210 20 30 CGEDMO CC(C)COCC[C@H](C)[N@H+]1CCC[C@@H](C#N)CC1 ZINC001172475315 808339356 /nfs/dbraw/zinc/33/93/56/808339356.db2.gz HXBASBNQQRMQAD-LSDHHAIUSA-N 1 1 252.402 3.063 20 30 CGEDMO C[C@@H](CCCC#N)[N@@H+](C)CCCC(=O)c1cccnc1 ZINC001172502351 808357806 /nfs/dbraw/zinc/35/78/06/808357806.db2.gz UWPYYDNDOZCUTI-AWEZNQCLSA-N 1 1 273.380 3.059 20 30 CGEDMO N#Cc1cccc(C[NH+]2CCC(Nc3ccccc3)CC2)n1 ZINC001119296338 802644430 /nfs/dbraw/zinc/64/44/30/802644430.db2.gz WNHGWGLRZAXCHP-UHFFFAOYSA-N 1 1 292.386 3.030 20 30 CGEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CC2CCC1CC2)c1ccccc1 ZINC001119309278 802646835 /nfs/dbraw/zinc/64/68/35/802646835.db2.gz URMRAZQSYXQNHK-KVZIAJEVSA-N 1 1 296.414 3.301 20 30 CGEDMO CC1(C[N@@H+]2CCC[C@](C#N)(c3ccccn3)C2)CCC1 ZINC001119710659 802694367 /nfs/dbraw/zinc/69/43/67/802694367.db2.gz GDLOSLYAAZOVGD-QGZVFWFLSA-N 1 1 269.392 3.129 20 30 CGEDMO CC1(C[N@H+]2CCC[C@](C#N)(c3ccccn3)C2)CCC1 ZINC001119710659 802694376 /nfs/dbraw/zinc/69/43/76/802694376.db2.gz GDLOSLYAAZOVGD-QGZVFWFLSA-N 1 1 269.392 3.129 20 30 CGEDMO CC[N@@H+](CCCCC1(C#N)CCC1)C[C@@H](O)C(F)(F)F ZINC001119825312 802702016 /nfs/dbraw/zinc/70/20/16/802702016.db2.gz OIOULYXFTVZEQF-GFCCVEGCSA-N 1 1 292.345 3.096 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CCC)C1 ZINC001120392276 802743445 /nfs/dbraw/zinc/74/34/45/802743445.db2.gz LNXPIQSTQBMVQO-DLBZAZTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CCCF)C1 ZINC001120423638 802744172 /nfs/dbraw/zinc/74/41/72/802744172.db2.gz VVWYGFZNOVGGIZ-HZPDHXFCSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CCC)C1 ZINC001120423270 802744493 /nfs/dbraw/zinc/74/44/93/802744493.db2.gz STPADMDGEKRQRF-IRXDYDNUSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC001124485954 803026419 /nfs/dbraw/zinc/02/64/19/803026419.db2.gz ZMTXPTGTSHQYAT-INIZCTEOSA-N 1 1 288.435 3.227 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2cnc(N)nc2)cc1 ZINC001243877162 803057509 /nfs/dbraw/zinc/05/75/09/803057509.db2.gz BJEZPBKNIHXDJB-INIZCTEOSA-N 1 1 280.375 3.049 20 30 CGEDMO Cc1[nH+]ccn1-c1cc(-c2ccc(C#N)cc2Cl)ncn1 ZINC001244328588 803307801 /nfs/dbraw/zinc/30/78/01/803307801.db2.gz KVWACNGZUMGKCR-UHFFFAOYSA-N 1 1 295.733 3.163 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)c2ccoc2C)CC[C@H]1C ZINC001131772612 803342855 /nfs/dbraw/zinc/34/28/55/803342855.db2.gz RDKGTZMBFVAJLV-UKRRQHHQSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(C)C)C1 ZINC001132221365 803379383 /nfs/dbraw/zinc/37/93/83/803379383.db2.gz GNOFOQQJNIODTM-CABCVRRESA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C/C=C(/C)C=C)CC[C@H]1C ZINC001132224290 803380858 /nfs/dbraw/zinc/38/08/58/803380858.db2.gz LWVXBOSYOYSXHZ-JMVFYIHGSA-N 1 1 276.424 3.054 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCC(C)C)C1 ZINC001132228195 803384277 /nfs/dbraw/zinc/38/42/77/803384277.db2.gz NPILXIBRDMFDBY-CABCVRRESA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](NC(=O)C2(CC)CCC2)CC[C@@H]1C ZINC001132244227 803385339 /nfs/dbraw/zinc/38/53/39/803385339.db2.gz HRSRAGBINKZXPO-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCCC2CC2)CC[C@@H]1C ZINC001132244914 803387377 /nfs/dbraw/zinc/38/73/77/803387377.db2.gz KXWZRXCDFMUCDL-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC(=C)C)C2)CCC1 ZINC001132283476 803391475 /nfs/dbraw/zinc/39/14/75/803391475.db2.gz XXHNMPKLPQXPRZ-CVEARBPZSA-N 1 1 290.451 3.278 20 30 CGEDMO C#CCC[N@H+]1C[C@H](NC(=O)CCCCC(C)C)CC[C@@H]1C ZINC001132368470 803398365 /nfs/dbraw/zinc/39/83/65/803398365.db2.gz NOWLXLQBTQNEGC-DLBZAZTESA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)CCC2(C)CC2)CC[C@H]1C ZINC001132414638 803402518 /nfs/dbraw/zinc/40/25/18/803402518.db2.gz UBAOAMMGJRAQRZ-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCCC(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC001132618552 803421132 /nfs/dbraw/zinc/42/11/32/803421132.db2.gz BMCKGWZTYXEKJF-INIZCTEOSA-N 1 1 278.440 3.256 20 30 CGEDMO CCc1cc(-c2cc(-n3cc[nH+]c3C)ncn2)ccc1C#N ZINC001244951094 803588694 /nfs/dbraw/zinc/58/86/94/803588694.db2.gz UIBKQCWNXVZEIZ-UHFFFAOYSA-N 1 1 289.342 3.072 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1ccc2c(c1)COC2 ZINC001137025435 803673004 /nfs/dbraw/zinc/67/30/04/803673004.db2.gz FLDSBQUQXMNBQJ-UHFFFAOYSA-N 1 1 258.365 3.233 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1ccc2c(c1)COC2 ZINC001137025435 803673008 /nfs/dbraw/zinc/67/30/08/803673008.db2.gz FLDSBQUQXMNBQJ-UHFFFAOYSA-N 1 1 258.365 3.233 20 30 CGEDMO Fc1cc(Cl)ccc1C[NH+]1CCC(S)CC1 ZINC001137661223 803753469 /nfs/dbraw/zinc/75/34/69/803753469.db2.gz JYZNWTCQSMZOBD-UHFFFAOYSA-N 1 1 259.777 3.373 20 30 CGEDMO CC(=O)Oc1cccc(C[N@H+](CCC#N)C2CCCC2)c1 ZINC001138042682 803839017 /nfs/dbraw/zinc/83/90/17/803839017.db2.gz AXGNVYGMEKWQBY-UHFFFAOYSA-N 1 1 286.375 3.270 20 30 CGEDMO CC(=O)Oc1cccc(C[N@@H+](CCC#N)C2CCCC2)c1 ZINC001138042682 803839026 /nfs/dbraw/zinc/83/90/26/803839026.db2.gz AXGNVYGMEKWQBY-UHFFFAOYSA-N 1 1 286.375 3.270 20 30 CGEDMO C=CC[NH+]1CCN(Cc2c[nH]c3c2cccc3CC)CC1 ZINC001138360714 803904633 /nfs/dbraw/zinc/90/46/33/803904633.db2.gz AJIGFZUYLXSGLC-UHFFFAOYSA-N 1 1 283.419 3.034 20 30 CGEDMO Cc1nccn1-c1ccc(C[N@H+]2CCC[C@H](C#N)CC2)cc1 ZINC001138549416 803963100 /nfs/dbraw/zinc/96/31/00/803963100.db2.gz WLUCCPXWIAIWOL-INIZCTEOSA-N 1 1 294.402 3.306 20 30 CGEDMO Cc1nccn1-c1ccc(C[N@H+]2CCC[C@@H](C#N)CC2)cc1 ZINC001138549418 803964676 /nfs/dbraw/zinc/96/46/76/803964676.db2.gz WLUCCPXWIAIWOL-MRXNPFEDSA-N 1 1 294.402 3.306 20 30 CGEDMO C#CCOc1ccc(C[N@@H+](C)CCc2ccccc2)cc1 ZINC001138555147 803966002 /nfs/dbraw/zinc/96/60/02/803966002.db2.gz NZGIFKFNJJBLBD-UHFFFAOYSA-N 1 1 279.383 3.373 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCc3nc(C)sc3C2)cc1 ZINC001138557227 803966500 /nfs/dbraw/zinc/96/65/00/803966500.db2.gz BYTAMDOBEHDBDS-UHFFFAOYSA-N 1 1 298.411 3.022 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCc3nc(C)sc3C2)cc1 ZINC001138557227 803966506 /nfs/dbraw/zinc/96/65/06/803966506.db2.gz BYTAMDOBEHDBDS-UHFFFAOYSA-N 1 1 298.411 3.022 20 30 CGEDMO COc1ccc2c(C[N@H+]3CCC[C@@H](CC#N)C3)c[nH]c2c1 ZINC001138588027 803974986 /nfs/dbraw/zinc/97/49/86/803974986.db2.gz KFQSPTWGUQGSSU-ZDUSSCGKSA-N 1 1 283.375 3.302 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)c1O ZINC001138624351 803983396 /nfs/dbraw/zinc/98/33/96/803983396.db2.gz FEKKTWCPJNTYLP-KGLIPLIRSA-N 1 1 279.330 3.208 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2CCC[C@@H](OCC)C2)c1O ZINC001138629151 803985093 /nfs/dbraw/zinc/98/50/93/803985093.db2.gz PZLAOYFGAKPJRG-MRXNPFEDSA-N 1 1 275.392 3.122 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2CC[C@@H](OCCC)C2)c1O ZINC001138629286 803986125 /nfs/dbraw/zinc/98/61/25/803986125.db2.gz TXRHADRIIMHGBU-MRXNPFEDSA-N 1 1 275.392 3.122 20 30 CGEDMO C=CCc1cccc(C[N@H+](C)CC(=O)c2ccccc2)c1O ZINC001138630286 803986259 /nfs/dbraw/zinc/98/62/59/803986259.db2.gz VCFSVEYTGNQHKM-UHFFFAOYSA-N 1 1 295.382 3.435 20 30 CGEDMO C=CCc1cccc(C[N@@H+](C)CC(=O)c2ccccc2)c1O ZINC001138630286 803986264 /nfs/dbraw/zinc/98/62/64/803986264.db2.gz VCFSVEYTGNQHKM-UHFFFAOYSA-N 1 1 295.382 3.435 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CCC[C@@H](C#N)CC2)c1O ZINC001138627862 803986563 /nfs/dbraw/zinc/98/65/63/803986563.db2.gz HEGBOAQXXAMAMN-CQSZACIVSA-N 1 1 270.376 3.246 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CC[C@@]12CCOC2 ZINC001138666535 803998993 /nfs/dbraw/zinc/99/89/93/803998993.db2.gz WUJWIEIBIUAFDW-KRWDZBQOSA-N 1 1 273.376 3.006 20 30 CGEDMO CCCCCCC[N@@H+](C)Cc1ccc(OCCO)cc1 ZINC001138794774 804043117 /nfs/dbraw/zinc/04/31/17/804043117.db2.gz OXBHTWPOURLALV-UHFFFAOYSA-N 1 1 279.424 3.460 20 30 CGEDMO CCCCCCCCCC[C@H](O)CNc1cc(N)[nH+]cn1 ZINC001245960895 804089714 /nfs/dbraw/zinc/08/97/14/804089714.db2.gz ZDYGONWNBZPXFA-AWEZNQCLSA-N 1 1 294.443 3.362 20 30 CGEDMO CCCCCCCCCC[C@H](O)CNc1cc(N)nc[nH+]1 ZINC001245960895 804089723 /nfs/dbraw/zinc/08/97/23/804089723.db2.gz ZDYGONWNBZPXFA-AWEZNQCLSA-N 1 1 294.443 3.362 20 30 CGEDMO CCCCCCCC[C@H](O)C[NH2+][C@@H](CN)c1ccccc1 ZINC001245976481 804092382 /nfs/dbraw/zinc/09/23/82/804092382.db2.gz TZCWERYOHJVHQH-ROUUACIJSA-N 1 1 292.467 3.388 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCCC12CC[NH2+]CC2 ZINC001246032878 804102016 /nfs/dbraw/zinc/10/20/16/804102016.db2.gz MBPGEGDJWZLZIC-KRWDZBQOSA-N 1 1 296.499 3.316 20 30 CGEDMO CCCCCCCC[C@H](O)CN(C)[C@H]1CCCC[C@H]1[NH3+] ZINC001246059877 804103917 /nfs/dbraw/zinc/10/39/17/804103917.db2.gz CBNLYXVKYNJHHY-BBWFWOEESA-N 1 1 284.488 3.300 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cn2)CC1 ZINC001139014938 804110997 /nfs/dbraw/zinc/11/09/97/804110997.db2.gz NHNYOMSANYJFAG-LLVKDONJSA-N 1 1 283.297 3.226 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001139029770 804115045 /nfs/dbraw/zinc/11/50/45/804115045.db2.gz MLTXQIRHVMWAMM-OAHLLOKOSA-N 1 1 270.376 3.377 20 30 CGEDMO Cc1cccc2[nH]cc(C[N@@H+]3CCC[C@H](C#N)C3)c21 ZINC001139195967 804157201 /nfs/dbraw/zinc/15/72/01/804157201.db2.gz GIOIFCRIQHAZGI-CYBMUJFWSA-N 1 1 253.349 3.212 20 30 CGEDMO Cc1cccc2[nH]cc(C[N@H+]3CCC[C@H](C#N)C3)c21 ZINC001139195967 804157205 /nfs/dbraw/zinc/15/72/05/804157205.db2.gz GIOIFCRIQHAZGI-CYBMUJFWSA-N 1 1 253.349 3.212 20 30 CGEDMO C=CC[N@H+](C)Cc1cccn1Cc1cnc(Cl)s1 ZINC001139367079 804183517 /nfs/dbraw/zinc/18/35/17/804183517.db2.gz HQLMUTGCOMXULL-UHFFFAOYSA-N 1 1 281.812 3.264 20 30 CGEDMO CCCCCCC[C@H](CCC)[NH2+]C[C@@]1(O)CCCNC1 ZINC001246232072 804225379 /nfs/dbraw/zinc/22/53/79/804225379.db2.gz QARCBDBLPYWAKK-DLBZAZTESA-N 1 1 284.488 3.220 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2ccc(-c3cccnc3)cc2)C1 ZINC001139648378 804243037 /nfs/dbraw/zinc/24/30/37/804243037.db2.gz SSXQHZKNETZOIG-MRXNPFEDSA-N 1 1 277.371 3.484 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2ccc(-c3cccnc3)cc2)C1 ZINC001139648378 804243046 /nfs/dbraw/zinc/24/30/46/804243046.db2.gz SSXQHZKNETZOIG-MRXNPFEDSA-N 1 1 277.371 3.484 20 30 CGEDMO C#Cc1ccc(CN[C@H]2CC[NH2+][C@@H](CCCC)C2)cc1 ZINC001246268956 804247746 /nfs/dbraw/zinc/24/77/46/804247746.db2.gz XQKMGCKAICCPSO-ROUUACIJSA-N 1 1 270.420 3.068 20 30 CGEDMO C[C@H]1CC[N@H+](Cc2cccc(Cl)c2C#N)CC[C@@]1(C)O ZINC001139687616 804254321 /nfs/dbraw/zinc/25/43/21/804254321.db2.gz UOGMXGYVPOQZRZ-BLLLJJGKSA-N 1 1 292.810 3.195 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2C#N)CC[C@@]1(C)O ZINC001139687616 804254326 /nfs/dbraw/zinc/25/43/26/804254326.db2.gz UOGMXGYVPOQZRZ-BLLLJJGKSA-N 1 1 292.810 3.195 20 30 CGEDMO C[N@@H+](CCc1cccnc1)Cc1c[nH]c2c1cccc2C#N ZINC001139702798 804257584 /nfs/dbraw/zinc/25/75/84/804257584.db2.gz AKEITHRESGDZRT-UHFFFAOYSA-N 1 1 290.370 3.109 20 30 CGEDMO N#Cc1cccc2c(C[N@H+]3CCC4(CCC4)C3)c[nH]c21 ZINC001139706440 804259973 /nfs/dbraw/zinc/25/99/73/804259973.db2.gz TZAXTZHHVFJGLZ-UHFFFAOYSA-N 1 1 265.360 3.416 20 30 CGEDMO COCC[C@H]1CCCC[N@H+]1Cc1ccc(C)c(C#N)c1 ZINC001139724035 804267111 /nfs/dbraw/zinc/26/71/11/804267111.db2.gz JOWBXFQLZOONAH-QGZVFWFLSA-N 1 1 272.392 3.258 20 30 CGEDMO CCCCCCCCCC[C@H](C)[NH2+][C@H]1CNC[C@@H]1CO ZINC001246302025 804268793 /nfs/dbraw/zinc/26/87/93/804268793.db2.gz ZVECQYXXCOELFC-BBWFWOEESA-N 1 1 284.488 3.076 20 30 CGEDMO C=CCn1cc(C[N@@H+]2CCSc3ccccc3C2)cn1 ZINC001139771254 804277537 /nfs/dbraw/zinc/27/75/37/804277537.db2.gz URHVFADCKXHFEH-UHFFFAOYSA-N 1 1 285.416 3.177 20 30 CGEDMO C=CCn1cc(C[N@H+]2CCSc3ccccc3C2)cn1 ZINC001139771254 804277543 /nfs/dbraw/zinc/27/75/43/804277543.db2.gz URHVFADCKXHFEH-UHFFFAOYSA-N 1 1 285.416 3.177 20 30 CGEDMO C=CCn1cc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)cn1 ZINC001139772579 804277967 /nfs/dbraw/zinc/27/79/67/804277967.db2.gz LIOJHPFLCVKXII-HZPDHXFCSA-N 1 1 259.397 3.224 20 30 CGEDMO CCCCCCC[C@H](CCC)[NH2+][C@@H]1CCNC[C@@H]1CO ZINC001246319589 804278511 /nfs/dbraw/zinc/27/85/11/804278511.db2.gz FCUUJBKIEWMPQI-IXDOHACOSA-N 1 1 284.488 3.076 20 30 CGEDMO CC(C)(C)C#CC[NH2+][C@@H]1CCN[C@H](c2ccccc2)C1 ZINC001246326935 804284014 /nfs/dbraw/zinc/28/40/14/804284014.db2.gz PUBWHJTWRMZPSY-SJORKVTESA-N 1 1 270.420 3.119 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1ccc2c(cnn2C)c1 ZINC001139951882 804332843 /nfs/dbraw/zinc/33/28/43/804332843.db2.gz RQJMNAVDGKUCLT-UHFFFAOYSA-N 1 1 270.380 3.089 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1ccc2c(cnn2C)c1 ZINC001139951882 804332851 /nfs/dbraw/zinc/33/28/51/804332851.db2.gz RQJMNAVDGKUCLT-UHFFFAOYSA-N 1 1 270.380 3.089 20 30 CGEDMO C[C@@]1(F)CCC[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140110413 804380072 /nfs/dbraw/zinc/38/00/72/804380072.db2.gz LSJUJWCZPTXYAC-MRXNPFEDSA-N 1 1 271.339 3.364 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3cccc4cnccc43)CC[C@H]2S1 ZINC001140140833 804386768 /nfs/dbraw/zinc/38/67/68/804386768.db2.gz HBLXGBGSXROURH-MRXNPFEDSA-N 1 1 296.395 3.009 20 30 CGEDMO O=C1C=C2C[N@@H+](Cc3cccc4cnccc43)CCC2S1 ZINC001140140833 804386774 /nfs/dbraw/zinc/38/67/74/804386774.db2.gz HBLXGBGSXROURH-MRXNPFEDSA-N 1 1 296.395 3.009 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3cccc4cnccc43)CCC2S1 ZINC001140140833 804386781 /nfs/dbraw/zinc/38/67/81/804386781.db2.gz HBLXGBGSXROURH-MRXNPFEDSA-N 1 1 296.395 3.009 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)CC1 ZINC001140341400 804419632 /nfs/dbraw/zinc/41/96/32/804419632.db2.gz MLQZOCOFXYMDQO-NSHDSACASA-N 1 1 264.756 3.171 20 30 CGEDMO N#C[C@H]1CC[N@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC001140380689 804425436 /nfs/dbraw/zinc/42/54/36/804425436.db2.gz AAJJSXQUGWASSZ-OAHLLOKOSA-N 1 1 263.344 3.094 20 30 CGEDMO N#C[C@H]1CC[N@@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC001140380689 804425441 /nfs/dbraw/zinc/42/54/41/804425441.db2.gz AAJJSXQUGWASSZ-OAHLLOKOSA-N 1 1 263.344 3.094 20 30 CGEDMO Cc1ccc(Cl)nc1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001140443755 804435369 /nfs/dbraw/zinc/43/53/69/804435369.db2.gz ADPMTXKIWODNPN-LBPRGKRZSA-N 1 1 263.772 3.169 20 30 CGEDMO Cc1ccc(Cl)nc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001140443755 804435371 /nfs/dbraw/zinc/43/53/71/804435371.db2.gz ADPMTXKIWODNPN-LBPRGKRZSA-N 1 1 263.772 3.169 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CCNC[C@H](F)C1 ZINC001246603350 804440019 /nfs/dbraw/zinc/44/00/19/804440019.db2.gz ZBACMJKSQZXOGE-GJZGRUSLSA-N 1 1 258.425 3.369 20 30 CGEDMO CCCCCCC[C@H](CC)N1CC[NH2+]C[C@H](F)C1 ZINC001246603350 804440022 /nfs/dbraw/zinc/44/00/22/804440022.db2.gz ZBACMJKSQZXOGE-GJZGRUSLSA-N 1 1 258.425 3.369 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2C2CCCCC2)cn1 ZINC001140545650 804458598 /nfs/dbraw/zinc/45/85/98/804458598.db2.gz IMKMXEYJUGVGIK-QGZVFWFLSA-N 1 1 269.392 3.498 20 30 CGEDMO CCC[N@@H+](Cc1ccccc1)Cc1ccc(C#N)nc1 ZINC001140543939 804458770 /nfs/dbraw/zinc/45/87/70/804458770.db2.gz VYMGMSQWHYEZTE-UHFFFAOYSA-N 1 1 265.360 3.365 20 30 CGEDMO CCCC[C@@H]1C[C@@H](N(C)Cc2ccc(C#N)cc2)CC[NH2+]1 ZINC001246768093 804500875 /nfs/dbraw/zinc/50/08/75/804500875.db2.gz FDTCBKKTZXHKKV-MSOLQXFVSA-N 1 1 285.435 3.301 20 30 CGEDMO N#Cc1c(F)cc(C[N@H+]2CCC[C@H](CF)C2)cc1F ZINC001140754375 804506346 /nfs/dbraw/zinc/50/63/46/804506346.db2.gz XLTVMFOYZBMWPF-SNVBAGLBSA-N 1 1 268.282 3.018 20 30 CGEDMO N#Cc1c(F)cc(C[N@@H+]2CCC[C@H](CF)C2)cc1F ZINC001140754375 804506352 /nfs/dbraw/zinc/50/63/52/804506352.db2.gz XLTVMFOYZBMWPF-SNVBAGLBSA-N 1 1 268.282 3.018 20 30 CGEDMO C[N@@H+](Cc1cc(F)c(C#N)c(F)c1)C1CCCC1 ZINC001140753257 804506672 /nfs/dbraw/zinc/50/66/72/804506672.db2.gz DAPTXNBKARBDEW-UHFFFAOYSA-N 1 1 250.292 3.211 20 30 CGEDMO C[C@@]1(CO)CCC[N@@H+](Cc2cccc(C#N)c2Cl)CC1 ZINC001140808511 804525777 /nfs/dbraw/zinc/52/57/77/804525777.db2.gz UGYDCHFUSFHRHD-MRXNPFEDSA-N 1 1 292.810 3.196 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@]3(C2)CCCOC3)c1Cl ZINC001140813087 804526204 /nfs/dbraw/zinc/52/62/04/804526204.db2.gz WKMATQPTGPXABL-INIZCTEOSA-N 1 1 290.794 3.214 20 30 CGEDMO CC1(C)C[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)CCN1 ZINC001246816655 804532713 /nfs/dbraw/zinc/53/27/13/804532713.db2.gz KVNFDDDKMQSWLP-UHFFFAOYSA-N 1 1 297.446 3.268 20 30 CGEDMO CC1(C)CN(C2CCC(c3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC001246816655 804532714 /nfs/dbraw/zinc/53/27/14/804532714.db2.gz KVNFDDDKMQSWLP-UHFFFAOYSA-N 1 1 297.446 3.268 20 30 CGEDMO C=CC[N@H+](C)Cc1cccc(-c2ccc(OC)cc2)n1 ZINC001140959186 804558813 /nfs/dbraw/zinc/55/88/13/804558813.db2.gz OIDISEBXZIOHQT-UHFFFAOYSA-N 1 1 268.360 3.375 20 30 CGEDMO N#CC1CCC([N@H+]2CCCC[C@H]2CN2CCCC2)CC1 ZINC001256968848 807019389 /nfs/dbraw/zinc/01/93/89/807019389.db2.gz PHTMUGIRXYQWKR-JCYILVPMSA-N 1 1 275.440 3.019 20 30 CGEDMO N#CC1CCC(N2CCCC[C@H]2C[NH+]2CCCC2)CC1 ZINC001256968848 807019395 /nfs/dbraw/zinc/01/93/95/807019395.db2.gz PHTMUGIRXYQWKR-JCYILVPMSA-N 1 1 275.440 3.019 20 30 CGEDMO N#CC1CCC([N@H+]2CC[C@H](Oc3ccccc3)C2)CC1 ZINC001256968251 807019459 /nfs/dbraw/zinc/01/94/59/807019459.db2.gz CPKRFDZCAHZZDF-DQPZFDDXSA-N 1 1 270.376 3.222 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+](CC)[C@H]3CCCNC3)C[C@H](C1)C2 ZINC001246856158 804563699 /nfs/dbraw/zinc/56/36/99/804563699.db2.gz YTPIRZWBUISHBF-TVXGVJEUSA-N 1 1 262.441 3.195 20 30 CGEDMO C=C1C[C@@H]2CC(N(CC)[C@H]3CCC[NH2+]C3)C[C@H](C1)C2 ZINC001246856158 804563705 /nfs/dbraw/zinc/56/37/05/804563705.db2.gz YTPIRZWBUISHBF-TVXGVJEUSA-N 1 1 262.441 3.195 20 30 CGEDMO C[N@@H+](Cc1nc2ccccc2o1)C1CCC(C#N)CC1 ZINC001256972820 807021524 /nfs/dbraw/zinc/02/15/24/807021524.db2.gz HENODPVOCPWHKT-UHFFFAOYSA-N 1 1 269.348 3.342 20 30 CGEDMO N#Cc1c(N)sc(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)c1Cl ZINC001141106543 804590256 /nfs/dbraw/zinc/59/02/56/804590256.db2.gz BPALWNQJKZNZTC-NXEZZACHSA-N 1 1 295.839 3.477 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2sc(N)c(C#N)c2Cl)[C@H]1C ZINC001141112217 804591876 /nfs/dbraw/zinc/59/18/76/804591876.db2.gz UJNYZJOOXWAHCG-BDAKNGLRSA-N 1 1 283.828 3.476 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141109301 804591888 /nfs/dbraw/zinc/59/18/88/804591888.db2.gz PMCZKVUCIIGDDR-QMMMGPOBSA-N 1 1 269.801 3.087 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1ccnc2ccc(OC)cc12 ZINC001141151099 804598728 /nfs/dbraw/zinc/59/87/28/804598728.db2.gz WDOMMDZCILNWTR-UHFFFAOYSA-N 1 1 283.375 3.369 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1ccnc2ccc(OC)cc12 ZINC001141151099 804598732 /nfs/dbraw/zinc/59/87/32/804598732.db2.gz WDOMMDZCILNWTR-UHFFFAOYSA-N 1 1 283.375 3.369 20 30 CGEDMO CCCCCCCC[C@H](CC)[N@@H+]1C[C@H]2CN[C@H]2C1 ZINC001246921339 804602591 /nfs/dbraw/zinc/60/25/91/804602591.db2.gz RYQWXPWEKQKMOZ-PMPSAXMXSA-N 1 1 252.446 3.419 20 30 CGEDMO CCCCCCCC[C@H](CC)[N@H+]1C[C@H]2CN[C@H]2C1 ZINC001246921339 804602595 /nfs/dbraw/zinc/60/25/95/804602595.db2.gz RYQWXPWEKQKMOZ-PMPSAXMXSA-N 1 1 252.446 3.419 20 30 CGEDMO C[N@H+](Cc1ccc(Oc2ccc(C#N)cc2)cc1)C1COC1 ZINC001141293467 804628440 /nfs/dbraw/zinc/62/84/40/804628440.db2.gz BJMXCAQNKBPCFI-UHFFFAOYSA-N 1 1 294.354 3.181 20 30 CGEDMO C[N@@H+](Cc1ccc(Oc2ccc(C#N)cc2)cc1)C1COC1 ZINC001141293467 804628444 /nfs/dbraw/zinc/62/84/44/804628444.db2.gz BJMXCAQNKBPCFI-UHFFFAOYSA-N 1 1 294.354 3.181 20 30 CGEDMO C[N@H+]1CCC[C@H](CCNc2ccc(CCC#N)cc2)C1 ZINC001165277946 806984862 /nfs/dbraw/zinc/98/48/62/806984862.db2.gz BWLGAJNKHZKJKJ-MRXNPFEDSA-N 1 1 271.408 3.287 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccnc2[nH]ccc21 ZINC001142881430 804779098 /nfs/dbraw/zinc/77/90/98/804779098.db2.gz UICMIBBYDYNMTR-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH3+])c1nc(-c2cccc(Cl)c2Cl)no1 ZINC001247621681 804781325 /nfs/dbraw/zinc/78/13/25/804781325.db2.gz VUVZZEAOHQSLOV-FUXBKTLASA-N 1 1 296.157 3.403 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH3+])c1nc(-c2ccc(F)c3ccccc23)no1 ZINC001247621515 804781369 /nfs/dbraw/zinc/78/13/69/804781369.db2.gz SXMJQMSBOABNQO-BMLIUANNSA-N 1 1 295.317 3.389 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cncc(C(F)(F)F)c2)no1 ZINC001247622701 804782915 /nfs/dbraw/zinc/78/29/15/804782915.db2.gz QTFZGGYNOHSYCB-SNVBAGLBSA-N 1 1 298.268 3.116 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2cc(C)c(F)c(C)c2)no1 ZINC001247622573 804783770 /nfs/dbraw/zinc/78/37/70/804783770.db2.gz NUYJVNVERSVNDB-LBPRGKRZSA-N 1 1 275.327 3.459 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2cc(F)c(C)cc2F)no1 ZINC001247623079 804784957 /nfs/dbraw/zinc/78/49/57/804784957.db2.gz WYSTUPIJXINIIW-LBPRGKRZSA-N 1 1 279.290 3.289 20 30 CGEDMO Cn1nc(-c2ccccc2)cc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001143012196 804795249 /nfs/dbraw/zinc/79/52/49/804795249.db2.gz JKVGMFYUHTZVAW-OAHLLOKOSA-N 1 1 294.402 3.213 20 30 CGEDMO Cn1nc(-c2ccccc2)cc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001143011676 804795334 /nfs/dbraw/zinc/79/53/34/804795334.db2.gz BAMFQXANNINZPV-OAHLLOKOSA-N 1 1 294.402 3.213 20 30 CGEDMO C[N@@H+](Cc1c(F)ccc(C#N)c1F)CC1CC(F)(F)C1 ZINC001143173251 804814485 /nfs/dbraw/zinc/81/44/85/804814485.db2.gz UANLJDDOGLHWJU-UHFFFAOYSA-N 1 1 286.272 3.314 20 30 CGEDMO C[N@H+](Cc1c(F)ccc(C#N)c1F)CC1CC(F)(F)C1 ZINC001143173251 804814493 /nfs/dbraw/zinc/81/44/93/804814493.db2.gz UANLJDDOGLHWJU-UHFFFAOYSA-N 1 1 286.272 3.314 20 30 CGEDMO CC(C)[N@H+](Cc1c(F)ccc(C#N)c1F)CC1CC1 ZINC001143170626 804815467 /nfs/dbraw/zinc/81/54/67/804815467.db2.gz IVIHHQFBJSRPKS-UHFFFAOYSA-N 1 1 264.319 3.457 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2ccc(OCCCC)cc2)no1 ZINC001247962991 804857182 /nfs/dbraw/zinc/85/71/82/804857182.db2.gz IBOAAYHOBGHOGT-AWEZNQCLSA-N 1 1 287.363 3.491 20 30 CGEDMO COCC1CC[NH+](Cc2c(Cl)cccc2C#N)CC1 ZINC001143716326 804887153 /nfs/dbraw/zinc/88/71/53/804887153.db2.gz LRIVCMGUQCPVQP-UHFFFAOYSA-N 1 1 278.783 3.070 20 30 CGEDMO C[C@]1(O)CCC[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257020547 807029280 /nfs/dbraw/zinc/02/92/80/807029280.db2.gz GYERPADFACGJLR-ACBHZAAOSA-N 1 1 298.430 3.431 20 30 CGEDMO CN1CC[C@@H]([N@@H+](C)C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257020545 807029744 /nfs/dbraw/zinc/02/97/44/807029744.db2.gz GWQCSRFEDVUBGB-CTWPCTMYSA-N 1 1 297.446 3.220 20 30 CGEDMO C[N@@H+]([C@@H]1CCOC1)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257021511 807029812 /nfs/dbraw/zinc/02/98/12/807029812.db2.gz VHWXNGPAFCQRSM-DAWZGUTISA-N 1 1 284.403 3.305 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cc(F)c(OCC)c(F)c2)C1 ZINC001144030832 804929181 /nfs/dbraw/zinc/92/91/81/804929181.db2.gz ONNGMRWVKQXLRA-LBPRGKRZSA-N 1 1 279.330 3.209 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(F)c(OCC)c(F)c2)C1 ZINC001144030832 804929185 /nfs/dbraw/zinc/92/91/85/804929185.db2.gz ONNGMRWVKQXLRA-LBPRGKRZSA-N 1 1 279.330 3.209 20 30 CGEDMO C=CC(C)(C)CCNC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC001248464721 804936131 /nfs/dbraw/zinc/93/61/31/804936131.db2.gz VBHSIBOCEOUWJN-CQSZACIVSA-N 1 1 295.471 3.008 20 30 CGEDMO COc1ccccc1[C@@H](C)[N@H+](C)Cc1ccc(C#N)cn1 ZINC001144163319 804947536 /nfs/dbraw/zinc/94/75/36/804947536.db2.gz BBUXMTSSIHNRPB-CYBMUJFWSA-N 1 1 281.359 3.155 20 30 CGEDMO COc1ccccc1[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC001144163319 804947543 /nfs/dbraw/zinc/94/75/43/804947543.db2.gz BBUXMTSSIHNRPB-CYBMUJFWSA-N 1 1 281.359 3.155 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cccc3nc(C)ccc23)C1 ZINC001248568813 804954703 /nfs/dbraw/zinc/95/47/03/804954703.db2.gz LHCSCVCUAILIMN-OAHLLOKOSA-N 1 1 264.372 3.388 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001248748292 804982035 /nfs/dbraw/zinc/98/20/35/804982035.db2.gz DXSDQMSELLWPHY-QZTJIDSGSA-N 1 1 284.403 3.122 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC001248748353 804982565 /nfs/dbraw/zinc/98/25/65/804982565.db2.gz GVYPIXLPDJJJAQ-GOSISDBHSA-N 1 1 284.403 3.123 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@@H+]1CCc2ncc(C)cc2C1 ZINC001248752517 804983590 /nfs/dbraw/zinc/98/35/90/804983590.db2.gz OUPWPYNEUAPWAI-UHFFFAOYSA-N 1 1 291.398 3.382 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCc2ncc(C)cc2C1 ZINC001248752517 804983593 /nfs/dbraw/zinc/98/35/93/804983593.db2.gz OUPWPYNEUAPWAI-UHFFFAOYSA-N 1 1 291.398 3.382 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@@H+](CCCCCO)C(C)C ZINC001248752518 804984227 /nfs/dbraw/zinc/98/42/27/804984227.db2.gz OUSDQKILQYKZJN-UHFFFAOYSA-N 1 1 288.435 3.494 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)cc1 ZINC001144567412 805005708 /nfs/dbraw/zinc/00/57/08/805005708.db2.gz JRBQNBWQZMFDER-IRXDYDNUSA-N 1 1 267.372 3.002 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)cc1 ZINC001144567412 805005716 /nfs/dbraw/zinc/00/57/16/805005716.db2.gz JRBQNBWQZMFDER-IRXDYDNUSA-N 1 1 267.372 3.002 20 30 CGEDMO C#Cc1ccc(C[N@@H+](C2CCC2)C2CCOCC2)cc1 ZINC001144580424 805008602 /nfs/dbraw/zinc/00/86/02/805008602.db2.gz BPMQHZQBYNUKOZ-UHFFFAOYSA-N 1 1 269.388 3.201 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC[C@H](CC(=O)OCC)[C@H](C)C2)cc1 ZINC001144580493 805010477 /nfs/dbraw/zinc/01/04/77/805010477.db2.gz DQAMDZZTNQCMDC-CRAIPNDOSA-N 1 1 299.414 3.079 20 30 CGEDMO N#Cc1ccn2ncc(C[N@H+]3CCCC4(CCCC4)C3)c2c1 ZINC001249086931 805086665 /nfs/dbraw/zinc/08/66/65/805086665.db2.gz RMNDHPDRLATNBD-UHFFFAOYSA-N 1 1 294.402 3.362 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)C3CCCC3)C2)C1 ZINC001146861826 805094354 /nfs/dbraw/zinc/09/43/54/805094354.db2.gz XHYRDWSJNWAEGS-OAHLLOKOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)CCCCC)C2)C1 ZINC001147009173 805102910 /nfs/dbraw/zinc/10/29/10/805102910.db2.gz FIMBYRRZVKYDCL-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC(=O)N1CC2(C1)CC[N@@H+](CC1CCCCC1)C2 ZINC001147187727 805114678 /nfs/dbraw/zinc/11/46/78/805114678.db2.gz PACGFDPTFNFGRH-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC2(CN(C(=O)/C(C)=C/C)C2)C1 ZINC001147312116 805121183 /nfs/dbraw/zinc/12/11/83/805121183.db2.gz XXDNGNCIDJZRHU-FZSIALSZSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)CCC(=C)C)C2)C1 ZINC001147639788 805141953 /nfs/dbraw/zinc/14/19/53/805141953.db2.gz AOQNQGXUFXLHLW-MRXNPFEDSA-N 1 1 290.451 3.232 20 30 CGEDMO COC(C)(C)[C@@H]1CCC[N@H+]1Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249429103 805147470 /nfs/dbraw/zinc/14/74/70/805147470.db2.gz NNUDTETYFUMBBM-KRWDZBQOSA-N 1 1 297.402 3.429 20 30 CGEDMO C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@](C)(F)CCCC)C2)C1 ZINC001147813348 805153182 /nfs/dbraw/zinc/15/31/82/805153182.db2.gz YZXAALRAIOHUMY-INIZCTEOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC2(C1)CC[N@H+](C[C@H](C)CC)C2 ZINC001148126533 805163924 /nfs/dbraw/zinc/16/39/24/805163924.db2.gz ZLMGJHYZKLYDGN-HZPDHXFCSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)C(C)(C)CCC)C2)C1 ZINC001148188855 805166049 /nfs/dbraw/zinc/16/60/49/805166049.db2.gz YGFWHRIETWUATA-UHFFFAOYSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)C(C)(C)CCC)C2)C1 ZINC001148188855 805166054 /nfs/dbraw/zinc/16/60/54/805166054.db2.gz YGFWHRIETWUATA-UHFFFAOYSA-N 1 1 298.858 3.100 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@H](C)C(C)C)C2)C1 ZINC001148371807 805177074 /nfs/dbraw/zinc/17/70/74/805177074.db2.gz PHHVEUHAAUOZGG-HZPDHXFCSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc2c(c1)N(CC)CC2 ZINC001249664933 805207528 /nfs/dbraw/zinc/20/75/28/805207528.db2.gz OQDKMCYLGKRGKR-UHFFFAOYSA-N 1 1 258.409 3.467 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1ccc2c(c1)N(CC)CC2 ZINC001249667672 805208387 /nfs/dbraw/zinc/20/83/87/805208387.db2.gz MNGLEXNCOIVPAK-UHFFFAOYSA-N 1 1 271.408 3.195 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1ccc2c(c1)N(CC)CC2 ZINC001249667672 805208390 /nfs/dbraw/zinc/20/83/90/805208390.db2.gz MNGLEXNCOIVPAK-UHFFFAOYSA-N 1 1 271.408 3.195 20 30 CGEDMO Cc1cc(Nc2cnc(C#N)c(C(F)(F)F)c2)c[nH+]c1N ZINC001249784238 805243322 /nfs/dbraw/zinc/24/33/22/805243322.db2.gz HMNLARCTMVAZFK-UHFFFAOYSA-N 1 1 293.252 3.001 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)CCC ZINC001152309191 805344465 /nfs/dbraw/zinc/34/44/65/805344465.db2.gz YBBOHRNRMWNISA-HUUCEWRRSA-N 1 1 268.445 3.215 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)C(C)=C1CCCC1 ZINC001152693413 805363272 /nfs/dbraw/zinc/36/32/72/805363272.db2.gz AZUVZVQWUIGCCV-CQSZACIVSA-N 1 1 278.440 3.280 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)CC ZINC001153000854 805378994 /nfs/dbraw/zinc/37/89/94/805378994.db2.gz MOSVDFLSINKGRG-LSDHHAIUSA-N 1 1 268.445 3.215 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)C(=C)Cl ZINC001153587927 805405943 /nfs/dbraw/zinc/40/59/43/805405943.db2.gz CTNROLUZLWVGRE-GFCCVEGCSA-N 1 1 286.847 3.168 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)c1ccoc1CC ZINC001153042130 805382269 /nfs/dbraw/zinc/38/22/69/805382269.db2.gz ZFLURPMHDDRDQY-GFCCVEGCSA-N 1 1 298.814 3.035 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)c1ccoc1CC ZINC001153042130 805382278 /nfs/dbraw/zinc/38/22/78/805382278.db2.gz ZFLURPMHDDRDQY-GFCCVEGCSA-N 1 1 298.814 3.035 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)C(C)(C)C ZINC001154026692 805429108 /nfs/dbraw/zinc/42/91/08/805429108.db2.gz RMRNIPKPJJAWPC-OLZOCXBDSA-N 1 1 288.863 3.248 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)c1sccc1F ZINC001153164110 805385926 /nfs/dbraw/zinc/38/59/26/805385926.db2.gz BHMFFNZNNPIVRI-GFCCVEGCSA-N 1 1 298.427 3.294 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H](C)[N@@H+](CC)CCCCCF ZINC001153625611 805408512 /nfs/dbraw/zinc/40/85/12/805408512.db2.gz ABQSMKIIFWVYFX-OAHLLOKOSA-N 1 1 286.435 3.309 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)C(C)(C)C ZINC001154026692 805429104 /nfs/dbraw/zinc/42/91/04/805429104.db2.gz RMRNIPKPJJAWPC-OLZOCXBDSA-N 1 1 288.863 3.248 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)CC(C)(C)CC(F)F ZINC001154373630 805452315 /nfs/dbraw/zinc/45/23/15/805452315.db2.gz MRLLVUYKEUXRAV-GFCCVEGCSA-N 1 1 290.398 3.071 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)CC(=C)C ZINC001154747231 805483076 /nfs/dbraw/zinc/48/30/76/805483076.db2.gz LAXYDZMYUXGFLW-HZPDHXFCSA-N 1 1 280.456 3.382 20 30 CGEDMO C=CCCCC(=O)NC[C@@H](C)[N@@H+](CC)CCCCCF ZINC001154957260 805514368 /nfs/dbraw/zinc/51/43/68/805514368.db2.gz AYGTZPDSFHORME-OAHLLOKOSA-N 1 1 286.435 3.309 20 30 CGEDMO COc1c(C)ccc(F)c1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001250243395 805516470 /nfs/dbraw/zinc/51/64/70/805516470.db2.gz PUGGWFUEPJKZMG-CYBMUJFWSA-N 1 1 276.355 3.268 20 30 CGEDMO COc1c(C)ccc(F)c1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001250243395 805516475 /nfs/dbraw/zinc/51/64/75/805516475.db2.gz PUGGWFUEPJKZMG-CYBMUJFWSA-N 1 1 276.355 3.268 20 30 CGEDMO C=CCCC1(C(=O)NC[C@@H](C)[N@H+](CC)C[C@@H](F)CC)CC1 ZINC001155037490 805527467 /nfs/dbraw/zinc/52/74/67/805527467.db2.gz SDGWMLXEVLFNDM-CABCVRRESA-N 1 1 298.446 3.308 20 30 CGEDMO Cc1ccn2c(CNc3[nH+]c(C)ccc3CC#N)cnc2c1 ZINC001155281027 805566592 /nfs/dbraw/zinc/56/65/92/805566592.db2.gz DAMWODZZRNGYON-UHFFFAOYSA-N 1 1 291.358 3.024 20 30 CGEDMO CCOC(=O)[C@@]1(C)CCCC[N@H+](C2CCC(C#N)CC2)C1 ZINC001256963341 807017598 /nfs/dbraw/zinc/01/75/98/807017598.db2.gz GCFYBRSMCANTSX-DQPZFDDXSA-N 1 1 292.423 3.124 20 30 CGEDMO N#CC1CCC([N@H+]2CCC[C@@H]2Cc2ccccn2)CC1 ZINC001256969409 807020118 /nfs/dbraw/zinc/02/01/18/807020118.db2.gz HROTVEPGWANDIR-BDVYOWHSSA-N 1 1 269.392 3.171 20 30 CGEDMO C[N@@H+](CCC(=O)c1cccs1)C1CCC(C#N)CC1 ZINC001256973743 807022422 /nfs/dbraw/zinc/02/24/22/807022422.db2.gz WWLTZBJECYUZRO-UHFFFAOYSA-N 1 1 276.405 3.335 20 30 CGEDMO N#Cc1ccc(C2CCC([N@H+]3CCCC[C@H](O)C3)CC2)cc1 ZINC001257017574 807027152 /nfs/dbraw/zinc/02/71/52/807027152.db2.gz WJANXMNSDAYAKD-ACBHZAAOSA-N 1 1 298.430 3.431 20 30 CGEDMO COCC[N@@H+](C)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257016016 807027253 /nfs/dbraw/zinc/02/72/53/807027253.db2.gz RPMBXLGNWUIAEC-UHFFFAOYSA-N 1 1 272.392 3.163 20 30 CGEDMO C[C@]1(CO)CC[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257016343 807028332 /nfs/dbraw/zinc/02/83/32/807028332.db2.gz AKACKZIDMYFPIA-ACBHZAAOSA-N 1 1 298.430 3.289 20 30 CGEDMO C=CCN1C(=O)CC[C@@]12CCC[N@H+]([C@@H](C)CCC)CC2 ZINC001257322142 807106848 /nfs/dbraw/zinc/10/68/48/807106848.db2.gz QJJCLXLOROIUEY-DOTOQJQBSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CCN1CC[C@@]2(CCC[N@H+](C(CCC)CCC)C2)C1=O ZINC001257338467 807113256 /nfs/dbraw/zinc/11/32/56/807113256.db2.gz XHURDSCDRAVAJU-GOSISDBHSA-N 1 1 292.467 3.456 20 30 CGEDMO CCCCOC(=O)CC[C@H](C)[N@H+]1CCC[C@@H](C#N)CC1 ZINC001257400212 807138953 /nfs/dbraw/zinc/13/89/53/807138953.db2.gz LLRFDTGGYGRPHO-LSDHHAIUSA-N 1 1 280.412 3.124 20 30 CGEDMO C#CC[N@H+](C[C@H]1CCCC[C@H]1C(=O)OC)C1CCCCC1 ZINC001167274114 807174689 /nfs/dbraw/zinc/17/46/89/807174689.db2.gz YJQUJYAWIDOHOS-NVXWUHKLSA-N 1 1 291.435 3.234 20 30 CGEDMO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccn1 ZINC001167310520 807179807 /nfs/dbraw/zinc/17/98/07/807179807.db2.gz VKVADSARIMCMEC-KRWDZBQOSA-N 1 1 293.370 3.299 20 30 CGEDMO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccn1 ZINC001167310520 807179810 /nfs/dbraw/zinc/17/98/10/807179810.db2.gz VKVADSARIMCMEC-KRWDZBQOSA-N 1 1 293.370 3.299 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)C[C@@H]1CC(C)(C)CO1 ZINC001167458192 807193674 /nfs/dbraw/zinc/19/36/74/807193674.db2.gz RWGFSMUSNBIBGL-ZDUSSCGKSA-N 1 1 252.402 3.063 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@@H]1CC(C)(C)CO1 ZINC001167458192 807193677 /nfs/dbraw/zinc/19/36/77/807193677.db2.gz RWGFSMUSNBIBGL-ZDUSSCGKSA-N 1 1 252.402 3.063 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCCNc1cnc2c(C#N)c[nH]c2c1 ZINC001167753506 807242284 /nfs/dbraw/zinc/24/22/84/807242284.db2.gz OZWKVRCDHCAALA-ZDUSSCGKSA-N 1 1 297.406 3.111 20 30 CGEDMO C[C@H]1CCCC[N@@H+]1CCCNc1c[nH]c2c(C#N)cnc-2c1 ZINC001167753506 807242289 /nfs/dbraw/zinc/24/22/89/807242289.db2.gz OZWKVRCDHCAALA-ZDUSSCGKSA-N 1 1 297.406 3.111 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCCNc1c[nH]c2c(C#N)cnc-2c1 ZINC001167753506 807242292 /nfs/dbraw/zinc/24/22/92/807242292.db2.gz OZWKVRCDHCAALA-ZDUSSCGKSA-N 1 1 297.406 3.111 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CC[C@@H]4C[C@@]43C(=O)OCC)C[C@H](C1)C2 ZINC001257892282 807242406 /nfs/dbraw/zinc/24/24/06/807242406.db2.gz WULYLPJDEVXHPO-CRQDBCNOSA-N 1 1 289.419 3.149 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCCNc1cnc2[nH]cc(C#N)c2c1 ZINC001167752302 807242771 /nfs/dbraw/zinc/24/27/71/807242771.db2.gz DNRAOLRQLDQROS-ZDUSSCGKSA-N 1 1 297.406 3.111 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3C[C@@H](C)C[C@H](C(=O)OC)C3)C[C@H](C1)C2 ZINC001257894905 807243564 /nfs/dbraw/zinc/24/35/64/807243564.db2.gz BXTQAZQRUDONSX-CLYSKQOPSA-N 1 1 291.435 3.252 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCN(CC)C[C@H]3C)C[C@H](C1)C2 ZINC001257894015 807243996 /nfs/dbraw/zinc/24/39/96/807243996.db2.gz IWEKXYCKOQASJM-VPSFDDGASA-N 1 1 262.441 3.147 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CC[C@@H]4OCC[C@@H]4C3)C[C@H](C1)C2 ZINC001257895555 807245204 /nfs/dbraw/zinc/24/52/04/807245204.db2.gz TURWPDAKYDZTEC-HODAJMAFSA-N 1 1 261.409 3.232 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CCc4ccc(=O)[nH]c4CC3)C[C@H](C1)C2 ZINC001257895097 807245483 /nfs/dbraw/zinc/24/54/83/807245483.db2.gz IRDVVNCBOVRKMU-FKEKPDDDSA-N 1 1 298.430 3.323 20 30 CGEDMO CCCCCCC[C@@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001258050208 807274870 /nfs/dbraw/zinc/27/48/70/807274870.db2.gz ROKAXLNYZMVYRK-OAGGEKHMSA-N 1 1 252.446 3.229 20 30 CGEDMO CCCCCCC[C@@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001258050208 807274876 /nfs/dbraw/zinc/27/48/76/807274876.db2.gz ROKAXLNYZMVYRK-OAGGEKHMSA-N 1 1 252.446 3.229 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC001258050208 807274884 /nfs/dbraw/zinc/27/48/84/807274884.db2.gz ROKAXLNYZMVYRK-OAGGEKHMSA-N 1 1 252.446 3.229 20 30 CGEDMO CCCCCCC[C@@H](C)[N@@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC001258050208 807274888 /nfs/dbraw/zinc/27/48/88/807274888.db2.gz ROKAXLNYZMVYRK-OAGGEKHMSA-N 1 1 252.446 3.229 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CCN(C(C)=O)[C@@H](C)C1 ZINC001258049206 807275718 /nfs/dbraw/zinc/27/57/18/807275718.db2.gz BNCIYVZLCQBSCT-GJZGRUSLSA-N 1 1 268.445 3.288 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1CCC2(CN(C)C2)C1 ZINC001258050744 807276380 /nfs/dbraw/zinc/27/63/80/807276380.db2.gz XNPDAIDMFUVQOT-OAHLLOKOSA-N 1 1 252.446 3.373 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001258050472 807276956 /nfs/dbraw/zinc/27/69/56/807276956.db2.gz VQWIRQMJHICGTF-GJZGRUSLSA-N 1 1 268.445 3.288 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1Cc2ccnn2CC[C@H]1CO ZINC001258050765 807277430 /nfs/dbraw/zinc/27/74/30/807277430.db2.gz XTYRYBZKFVRRLR-RDJZCZTQSA-N 1 1 293.455 3.199 20 30 CGEDMO N#Cc1ccc(O[C@H]2CCC[N@H+]([C@@H]3C[C@H]4C[C@H]4C3)C2)cc1 ZINC001167947878 807279478 /nfs/dbraw/zinc/27/94/78/807279478.db2.gz IWIOFYJSMABZBO-DFGXFYAUSA-N 1 1 282.387 3.200 20 30 CGEDMO N#CCC1(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CCCC1 ZINC001167981588 807289625 /nfs/dbraw/zinc/28/96/25/807289625.db2.gz BDTWTSYTJLXHOQ-ALOPSCKCSA-N 1 1 287.451 3.208 20 30 CGEDMO C=CCOC(=O)N[C@@H]1CCC[N@H+](C2C[C@@H](C)C[C@H](C)C2)C1 ZINC001258170267 807336914 /nfs/dbraw/zinc/33/69/14/807336914.db2.gz BRMIDLCIGMGAFO-SOUVJXGZSA-N 1 1 294.439 3.188 20 30 CGEDMO CC1(C)CCC[C@@H]([N@H+]2CCC3SC(=O)C=C3C2)C1 ZINC001258284827 807396167 /nfs/dbraw/zinc/39/61/67/807396167.db2.gz IMMMQPHWOINEEL-OLZOCXBDSA-N 1 1 265.422 3.229 20 30 CGEDMO C=CC[N@H+]([C@H](C)CCC(=O)OC)C1CCCCC1 ZINC001258378365 807432635 /nfs/dbraw/zinc/43/26/35/807432635.db2.gz AYFKGTAWKALXCH-CYBMUJFWSA-N 1 1 253.386 3.149 20 30 CGEDMO CC[N@@H+](CCC#N)[C@@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168655666 807468959 /nfs/dbraw/zinc/46/89/59/807468959.db2.gz ZULMRAPNFVXAJU-WBVHZDCISA-N 1 1 288.391 3.151 20 30 CGEDMO C[C@@H]1C[C@H]([N@H+]2CCC3SC(=O)C=C3C2)CC(C)(C)C1 ZINC001258697857 807551704 /nfs/dbraw/zinc/55/17/04/807551704.db2.gz SPADDAXGQCIBDH-XBFCOCLRSA-N 1 1 279.449 3.475 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@H]2CCN(Cc3ccncc3)C[C@H]2C1 ZINC001258727658 807574787 /nfs/dbraw/zinc/57/47/87/807574787.db2.gz HJAIHRXQLYARKA-UHOSZYNNSA-N 1 1 299.462 3.190 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1Cc2nn(CC)cc2[C@H](COCC)C1 ZINC001258728901 807576212 /nfs/dbraw/zinc/57/62/12/807576212.db2.gz RIRPGYLLJKZTNI-CABCVRRESA-N 1 1 291.439 3.193 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCC[C@@H]1CN1CCCC1 ZINC001258731298 807577655 /nfs/dbraw/zinc/57/76/55/807577655.db2.gz WEPRSANHZZHXEV-HZPDHXFCSA-N 1 1 250.430 3.291 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCN(C)[C@@H](c2ccccc2)C1 ZINC001258730355 807577673 /nfs/dbraw/zinc/57/76/73/807577673.db2.gz FSPMCXYTEGAICZ-NVXWUHKLSA-N 1 1 258.409 3.330 20 30 CGEDMO C=CC[C@@](C)([NH2+][C@@H](CCC)CCCC)C(=O)OC ZINC001258759072 807598860 /nfs/dbraw/zinc/59/88/60/807598860.db2.gz MWTPEFZKMXAXGP-DZGCQCFKSA-N 1 1 255.402 3.443 20 30 CGEDMO C=CC[C@@](C)([NH2+][C@H](CC)C[C@@H](C)CC)C(=O)OC ZINC001258786557 807611779 /nfs/dbraw/zinc/61/17/79/807611779.db2.gz AIVOUVCHVGEDMK-GZBFAFLISA-N 1 1 255.402 3.299 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@H+]([C@H]3CCC[C@@H](C)C3)C2)C1=O ZINC001258819695 807636182 /nfs/dbraw/zinc/63/61/82/807636182.db2.gz GMMYFYKBUSIXSS-RYRKJORJSA-N 1 1 290.451 3.066 20 30 CGEDMO COc1ccc(Nc2c[nH+]c3cccc(C)n23)c(C#N)c1 ZINC001212782042 815136183 /nfs/dbraw/zinc/13/61/83/815136183.db2.gz YFTBZKVMUCKSTO-UHFFFAOYSA-N 1 1 278.315 3.267 20 30 CGEDMO CCCCCCCC[N@@H+](C)[C@H]1CCCN(C(C)=O)C1 ZINC001169614894 807675970 /nfs/dbraw/zinc/67/59/70/807675970.db2.gz KNVRTQMQTPVRJZ-INIZCTEOSA-N 1 1 268.445 3.290 20 30 CGEDMO COc1cc2[nH+]ccn2cc1NC12CCC(C#N)(CC1)CC2 ZINC001169750001 807703062 /nfs/dbraw/zinc/70/30/62/807703062.db2.gz NUCBYZXXUQLYMF-UHFFFAOYSA-N 1 1 296.374 3.371 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)CC1CCCCCC1 ZINC001169843680 807714585 /nfs/dbraw/zinc/71/45/85/807714585.db2.gz HLSMJTYQXYJEPN-UHFFFAOYSA-N 1 1 252.446 3.397 20 30 CGEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+]([C@@H]1CC[C@H](C)C1)CCO2 ZINC001170138426 807772431 /nfs/dbraw/zinc/77/24/31/807772431.db2.gz REFUFRLTJFANFJ-WNRNVDISSA-N 1 1 293.451 3.249 20 30 CGEDMO C=CCCCNc1ccc(C)cc1C[NH+]1CCOCC1 ZINC001170302140 807822570 /nfs/dbraw/zinc/82/25/70/807822570.db2.gz VUVKXGIUWBRJHA-UHFFFAOYSA-N 1 1 274.408 3.205 20 30 CGEDMO C[C@H]1C[N@H+](C2CCC(C#N)(c3ccccc3)CC2)CCC1=O ZINC001170378923 807831859 /nfs/dbraw/zinc/83/18/59/807831859.db2.gz NVYCYLGZDRMRKE-DMKPSLHHSA-N 1 1 296.414 3.301 20 30 CGEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCCC[C@H](O)C2)CC1 ZINC001170378736 807833186 /nfs/dbraw/zinc/83/31/86/807833186.db2.gz JRFBGCVIYKJUQJ-XBMUEBEBSA-N 1 1 298.430 3.237 20 30 CGEDMO C=CCOC(=O)[C@H](CC(C)C)[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170720083 807884275 /nfs/dbraw/zinc/88/42/75/807884275.db2.gz JCJKCMBWRBWOSU-XGUBFFRZSA-N 1 1 279.424 3.155 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001171210863 808010476 /nfs/dbraw/zinc/01/04/76/808010476.db2.gz XBUJVYUMSSUPJN-DFBGVHRSSA-N 1 1 276.330 3.076 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@](C)(F)[C@H](F)C1 ZINC001171210066 808011366 /nfs/dbraw/zinc/01/13/66/808011366.db2.gz PUQQOBSNYGBNFT-WQVCFCJDSA-N 1 1 278.346 3.261 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H]1c1ncccn1 ZINC001171233914 808015445 /nfs/dbraw/zinc/01/54/45/808015445.db2.gz HRHOVWCXKQCBEW-RHSMWYFYSA-N 1 1 292.386 3.116 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]2[C@H](NC(=O)/C(C)=C\C)C(C)(C)[C@H]21 ZINC001264029444 808029291 /nfs/dbraw/zinc/02/92/91/808029291.db2.gz DIJNUFLDJAYSCM-RLBRWWAMSA-N 1 1 290.451 3.134 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@H+](CCF)[C@@H]2CC)CCCC1 ZINC001264073074 808034279 /nfs/dbraw/zinc/03/42/79/808034279.db2.gz IUOMWYYBXXRJMQ-LSDHHAIUSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@@H+](CCF)[C@@H]2CC)CCCC1 ZINC001264073074 808034287 /nfs/dbraw/zinc/03/42/87/808034287.db2.gz IUOMWYYBXXRJMQ-LSDHHAIUSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCCCC[N@@H+](CC1CC1)[C@@](C)(CC)C(=O)OC ZINC001171371023 808037557 /nfs/dbraw/zinc/03/75/57/808037557.db2.gz OKHPMOXLOSKYON-INIZCTEOSA-N 1 1 267.413 3.396 20 30 CGEDMO N#CC[C@H]1CCC[N@H+]([C@@H]2CCc3cc(F)c(F)cc3C2)C1 ZINC001171493040 808075824 /nfs/dbraw/zinc/07/58/24/808075824.db2.gz LIJRLEAFIJJBOC-IUODEOHRSA-N 1 1 290.357 3.448 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001171522890 808086163 /nfs/dbraw/zinc/08/61/63/808086163.db2.gz MJBNUTSZFULHHN-CMPLNLGQSA-N 1 1 273.804 3.039 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001171522890 808086169 /nfs/dbraw/zinc/08/61/69/808086169.db2.gz MJBNUTSZFULHHN-CMPLNLGQSA-N 1 1 273.804 3.039 20 30 CGEDMO C/C=C(/C)C(=O)N[C@H]1CC[N@H+](CCCCCCC)C1 ZINC001265278430 808125394 /nfs/dbraw/zinc/12/53/94/808125394.db2.gz FVLZJBZFDDLZNG-AGKVCYSUSA-N 1 1 266.429 3.114 20 30 CGEDMO C[C@H]1C[C@@H](NC2(C#N)CCCCC2)C[N@H+]1Cc1ccccc1 ZINC001171727515 808126715 /nfs/dbraw/zinc/12/67/15/808126715.db2.gz DBJQMZHPIQJXPV-FUHWJXTLSA-N 1 1 297.446 3.465 20 30 CGEDMO CCCCN(CC#N)[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171759956 808131204 /nfs/dbraw/zinc/13/12/04/808131204.db2.gz ORBDQQRBBMEXJJ-FUHWJXTLSA-N 1 1 285.435 3.275 20 30 CGEDMO CCCCN(CC#N)[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171759955 808131403 /nfs/dbraw/zinc/13/14/03/808131403.db2.gz ORBDQQRBBMEXJJ-AEFFLSMTSA-N 1 1 285.435 3.275 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)C=C(C)C)C1 ZINC001265384798 808137590 /nfs/dbraw/zinc/13/75/90/808137590.db2.gz PRBDNTYAJSCWCU-INIZCTEOSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001265394508 808138833 /nfs/dbraw/zinc/13/88/33/808138833.db2.gz CVISNLSRLOOMGK-JKSUJKDBSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCCC(C)C ZINC001265412741 808140681 /nfs/dbraw/zinc/14/06/81/808140681.db2.gz HKBVDDYEPHYVES-IYBDPMFKSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCCC(C)C ZINC001265412741 808140686 /nfs/dbraw/zinc/14/06/86/808140686.db2.gz HKBVDDYEPHYVES-IYBDPMFKSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)CC2CCC2)C1 ZINC001265580317 808157124 /nfs/dbraw/zinc/15/71/24/808157124.db2.gz VGAQCUZPYZPQGV-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)CC2CCC2)C1 ZINC001265580316 808157230 /nfs/dbraw/zinc/15/72/30/808157230.db2.gz VGAQCUZPYZPQGV-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C[C@@H](C#N)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC001171986555 808165071 /nfs/dbraw/zinc/16/50/71/808165071.db2.gz ITJJEIDKVFAABA-RDJZCZTQSA-N 1 1 285.435 3.273 20 30 CGEDMO CC[C@@H](C#N)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172068794 808170193 /nfs/dbraw/zinc/17/01/93/808170193.db2.gz XRWJHRDXTFBQDT-CADBVGFASA-N 1 1 297.446 3.464 20 30 CGEDMO C[C@H](C#N)N(C)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172086320 808170701 /nfs/dbraw/zinc/17/07/01/808170701.db2.gz FJOJSCFQHRPWDK-OQIJWPOYSA-N 1 1 297.446 3.416 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCC2CC2)C1 ZINC001265700655 808171133 /nfs/dbraw/zinc/17/11/33/808171133.db2.gz UDVCDMJQJSTGMR-UKRRQHHQSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001265705768 808172046 /nfs/dbraw/zinc/17/20/46/808172046.db2.gz MRJQASRURLGMNQ-GOEBONIOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)C2CC2)C1 ZINC001265706074 808172561 /nfs/dbraw/zinc/17/25/61/808172561.db2.gz QLSPACNJXJOZSY-LSDHHAIUSA-N 1 1 292.467 3.215 20 30 CGEDMO CCCCCCCC[N@@H+](C)[C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172180070 808190358 /nfs/dbraw/zinc/19/03/58/808190358.db2.gz WSMIWYNTCNTCQR-HZPDHXFCSA-N 1 1 280.456 3.432 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCCC[N@@H+](C)Cc1ccsc1 ZINC001265917354 808193123 /nfs/dbraw/zinc/19/31/23/808193123.db2.gz LGPNMCUQCJQEMP-MRXNPFEDSA-N 1 1 294.464 3.289 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)CCCNC(=O)c1cccc(F)c1 ZINC001266014935 808202109 /nfs/dbraw/zinc/20/21/09/808202109.db2.gz ODARIOKJKRNETC-UHFFFAOYSA-N 1 1 298.789 3.020 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)CCCNC(=O)C(C)=C1CCCC1 ZINC001266032882 808204083 /nfs/dbraw/zinc/20/40/83/808204083.db2.gz NWJYUZGYKLHRQX-UHFFFAOYSA-N 1 1 298.858 3.458 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)C[C@@H](C)CCC)C1 ZINC001266093855 808210326 /nfs/dbraw/zinc/21/03/26/808210326.db2.gz MAVXXBUZUWYAKS-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001172304863 808221724 /nfs/dbraw/zinc/22/17/24/808221724.db2.gz AQBFAEQOGBIEJF-OAHLLOKOSA-N 1 1 289.382 3.493 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)CC[C@@H](C)CC ZINC001266238357 808231703 /nfs/dbraw/zinc/23/17/03/808231703.db2.gz QWWUOHDIXXGWPN-IRXDYDNUSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)C[N@H+](C)CCNC(=O)[C@@H](CC)C1CCC(C)CC1 ZINC001266280497 808237005 /nfs/dbraw/zinc/23/70/05/808237005.db2.gz HPTYLPSHYVFQDR-JCYILVPMSA-N 1 1 294.483 3.463 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)c2[nH]ccc2C)C1 ZINC001266316983 808241427 /nfs/dbraw/zinc/24/14/27/808241427.db2.gz LEOSWLLHOUEVPL-HNNXBMFYSA-N 1 1 291.439 3.098 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C2(CC)CCCC2)C1 ZINC001266350864 808246325 /nfs/dbraw/zinc/24/63/25/808246325.db2.gz YNNUDDTXAKEJTK-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@H+](CCCC)C2)CCCC1 ZINC001266363518 808250039 /nfs/dbraw/zinc/25/00/39/808250039.db2.gz JTFSWCQZVRDDFG-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@](C)(CO)[C@@H](O)C1 ZINC001172357919 808252254 /nfs/dbraw/zinc/25/22/54/808252254.db2.gz MZEQDTGBVWUXCA-YESZJQIVSA-N 1 1 285.472 3.191 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CCC[C@H](C(N)=O)C1 ZINC001172358444 808253829 /nfs/dbraw/zinc/25/38/29/808253829.db2.gz OZTDKQJSIWNMDT-LSDHHAIUSA-N 1 1 268.445 3.323 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)CC1=CCCCC1 ZINC001266450124 808267941 /nfs/dbraw/zinc/26/79/41/808267941.db2.gz IUBZNFGVUJGHAK-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)CC(C)=C(C)C)C1 ZINC001266464356 808270172 /nfs/dbraw/zinc/27/01/72/808270172.db2.gz YWLLMJUSBFILMN-QGZVFWFLSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@H]1CCC[N@@H+]1C[C@@H](C)CC ZINC001266464518 808270785 /nfs/dbraw/zinc/27/07/85/808270785.db2.gz BRMQYTRUTHGBFW-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C[C@H]1CC=CCC1 ZINC001266474857 808272263 /nfs/dbraw/zinc/27/22/63/808272263.db2.gz XOZXPOBUAHCBFS-GJZGRUSLSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C[C@H]1CC=CCC1 ZINC001266474857 808272268 /nfs/dbraw/zinc/27/22/68/808272268.db2.gz XOZXPOBUAHCBFS-GJZGRUSLSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](CNC(=O)C2CC(C)C2)C1 ZINC001266507853 808278754 /nfs/dbraw/zinc/27/87/54/808278754.db2.gz CTPATPUNPSEVCF-CGZBRXJRSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@@](C)(F)CCCC)C1 ZINC001266520429 808280796 /nfs/dbraw/zinc/28/07/96/808280796.db2.gz MYIOLMRMRNXOLC-WBVHZDCISA-N 1 1 298.446 3.309 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001266571217 808288923 /nfs/dbraw/zinc/28/89/23/808288923.db2.gz LOKQXALRGVFJDX-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC1(C(=O)NCC[N@@H+](C/C=C\Cl)C2CC2)CCC1 ZINC001266609543 808295112 /nfs/dbraw/zinc/29/51/12/808295112.db2.gz QIJWPPRROPKIAE-WMZJFQQLSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CCC1(C(=O)NCC[N@H+](C/C=C\Cl)C2CC2)CCC1 ZINC001266609543 808295120 /nfs/dbraw/zinc/29/51/20/808295120.db2.gz QIJWPPRROPKIAE-WMZJFQQLSA-N 1 1 296.842 3.066 20 30 CGEDMO C#CCCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCCC ZINC001266648248 808302235 /nfs/dbraw/zinc/30/22/35/808302235.db2.gz RFPMACKHDJITOE-ALOPSCKCSA-N 1 1 290.451 3.092 20 30 CGEDMO C=CCCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C/Cl ZINC001266651883 808302324 /nfs/dbraw/zinc/30/23/24/808302324.db2.gz LGBUEONPZVTEDF-UMXODINHSA-N 1 1 296.842 3.207 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)CCC(C)C)C1 ZINC001266739616 808310378 /nfs/dbraw/zinc/31/03/78/808310378.db2.gz ASMYREUYCVXIBH-INIZCTEOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](CNC(=O)C[C@H]2CC=CCC2)C1 ZINC001266757787 808311658 /nfs/dbraw/zinc/31/16/58/808311658.db2.gz HWHWVCWUDISGLS-IRXDYDNUSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](CNC(=O)C[C@@H]2CC=CCC2)C1 ZINC001266757788 808311757 /nfs/dbraw/zinc/31/17/57/808311757.db2.gz HWHWVCWUDISGLS-SJORKVTESA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCCCC(=O)NC[C@@H]1CCC[N@H+](C[C@H](C)CC)C1 ZINC001266757557 808312083 /nfs/dbraw/zinc/31/20/83/808312083.db2.gz CHRMBIUKQZXUAZ-CVEARBPZSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@H]1CNC(=O)/C=C\C(C)(C)C ZINC001266836608 808321389 /nfs/dbraw/zinc/32/13/89/808321389.db2.gz BNQYXZOUUFQUFQ-CKXPSTMWSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@H]1CNC(=O)/C=C\C(C)(C)C ZINC001266836608 808321397 /nfs/dbraw/zinc/32/13/97/808321397.db2.gz BNQYXZOUUFQUFQ-CKXPSTMWSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CCC ZINC001266853079 808323234 /nfs/dbraw/zinc/32/32/34/808323234.db2.gz FAOGPXCVENBQCG-BRWVUGGUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)C1CC1 ZINC001266853525 808323406 /nfs/dbraw/zinc/32/34/06/808323406.db2.gz NNOFRQZPUCRFLO-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2(CCC)CC2)C1 ZINC001266895648 808333791 /nfs/dbraw/zinc/33/37/91/808333791.db2.gz QUHGPSJBQDPOQO-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO CC(C)COCC[C@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001172471679 808338335 /nfs/dbraw/zinc/33/83/35/808338335.db2.gz UKJGUALCEMOJOE-HNNXBMFYSA-N 1 1 274.408 3.441 20 30 CGEDMO CC(C)COCC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001172471683 808338704 /nfs/dbraw/zinc/33/87/04/808338704.db2.gz UKJGUALCEMOJOE-OAHLLOKOSA-N 1 1 274.408 3.441 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)CCC(=C)C)C1 ZINC001267107139 808359540 /nfs/dbraw/zinc/35/95/40/808359540.db2.gz AXHPIJKYWIYSQI-OAHLLOKOSA-N 1 1 278.440 3.088 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC001172504248 808360964 /nfs/dbraw/zinc/36/09/64/808360964.db2.gz FIGRWUQHTASVGN-HOCLYGCPSA-N 1 1 258.365 3.222 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001172508220 808365094 /nfs/dbraw/zinc/36/50/94/808365094.db2.gz BUSGYUGADJDYKP-MAUKXSAKSA-N 1 1 297.402 3.484 20 30 CGEDMO C=CC[C@@H]([NH2+][C@H]1CCC[C@@H](c2ccccc2)C1)C(=O)OC ZINC001172537646 808371476 /nfs/dbraw/zinc/37/14/76/808371476.db2.gz SMAGDVHRMHIFTK-IXDOHACOSA-N 1 1 287.403 3.420 20 30 CGEDMO C=C/C(C)=C\CC(=O)NCCC[C@@H]1CCC[N@@H+]1CC(=C)C ZINC001267173068 808373261 /nfs/dbraw/zinc/37/32/61/808373261.db2.gz FEBAIQIDXQXXTN-LPPOOGIUSA-N 1 1 290.451 3.446 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](CCCCC)C(C)C ZINC001267279429 808402421 /nfs/dbraw/zinc/40/24/21/808402421.db2.gz FHWOGYCUHOIPSW-IRXDYDNUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)C[C@H](C)CCC)C1 ZINC001267288774 808404592 /nfs/dbraw/zinc/40/45/92/808404592.db2.gz UQZPCEMMAWXHBU-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)C2(CCCC)CC2)C1 ZINC001267302202 808407903 /nfs/dbraw/zinc/40/79/03/808407903.db2.gz MZXAQLHYVYEFCR-AWEZNQCLSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)C2(CCCC)CC2)C1 ZINC001267302202 808407908 /nfs/dbraw/zinc/40/79/08/808407908.db2.gz MZXAQLHYVYEFCR-AWEZNQCLSA-N 1 1 298.858 3.147 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+]([C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172722234 808419304 /nfs/dbraw/zinc/41/93/04/808419304.db2.gz RSBJDMJPXLLJQF-LRDDRELGSA-N 1 1 274.795 3.433 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+]([C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172724489 808421247 /nfs/dbraw/zinc/42/12/47/808421247.db2.gz NDALNAAKEWOABQ-GJZGRUSLSA-N 1 1 260.768 3.043 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+]([C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172724489 808421249 /nfs/dbraw/zinc/42/12/49/808421249.db2.gz NDALNAAKEWOABQ-GJZGRUSLSA-N 1 1 260.768 3.043 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)c1ccccc1)C(C)C ZINC001267497300 808433394 /nfs/dbraw/zinc/43/33/94/808433394.db2.gz RQJQAFPNQSXHAN-UHFFFAOYSA-N 1 1 274.408 3.093 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@]2(C)CC=CCC2)C1 ZINC001267582784 808452780 /nfs/dbraw/zinc/45/27/80/808452780.db2.gz LFRUSHPRBQCHIY-AEFFLSMTSA-N 1 1 290.451 3.089 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@@H]2CCc3ccc(C)cc3C2)C1 ZINC001172844923 808459377 /nfs/dbraw/zinc/45/93/77/808459377.db2.gz VWOPHKQWTHAHNN-MAUKXSAKSA-N 1 1 253.389 3.198 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)CCC(C)C)C1 ZINC001267625513 808460938 /nfs/dbraw/zinc/46/09/38/808460938.db2.gz MBFUPOCLLWWOEQ-MRXNPFEDSA-N 1 1 280.456 3.169 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)c2ccccc2C)C1 ZINC001267635084 808462440 /nfs/dbraw/zinc/46/24/40/808462440.db2.gz CEQITYQAYFZHCV-UHFFFAOYSA-N 1 1 288.435 3.379 20 30 CGEDMO C=CCC(CC=C)C(=O)NC1C[NH+]([C@H](C)c2ccccc2)C1 ZINC001267648493 808464515 /nfs/dbraw/zinc/46/45/15/808464515.db2.gz ZJNMLUKOTFHXEG-OAHLLOKOSA-N 1 1 298.430 3.316 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@H](C[N@H+](C)CC[C@@H](C)F)C1 ZINC001267690019 808471276 /nfs/dbraw/zinc/47/12/76/808471276.db2.gz KRHACWGMSCLCCU-HUUCEWRRSA-N 1 1 298.446 3.117 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@H](C[N@H+](C)CC[C@H](C)F)C1 ZINC001267690020 808471339 /nfs/dbraw/zinc/47/13/39/808471339.db2.gz KRHACWGMSCLCCU-LSDHHAIUSA-N 1 1 298.446 3.117 20 30 CGEDMO N#C[C@H]1CCC[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172912454 808477298 /nfs/dbraw/zinc/47/72/98/808477298.db2.gz ANECEFIVSGLFGE-CZUORRHYSA-N 1 1 299.374 3.078 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)C(C)C)C1 ZINC001267748898 808483486 /nfs/dbraw/zinc/48/34/86/808483486.db2.gz ADAYJOLCKSSFPY-HZPDHXFCSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC(=O)N(C)[C@@H]1CC[N@@H+](C/C=C/c2ccccc2)C1 ZINC001267757227 808485089 /nfs/dbraw/zinc/48/50/89/808485089.db2.gz AKYGDYOMUIKVHF-VEGGFIAOSA-N 1 1 298.430 3.199 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](C)CC(C)C)C1 ZINC001267778223 808490097 /nfs/dbraw/zinc/49/00/97/808490097.db2.gz YAYGXVNYWJUBAA-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)CCC(=O)N(CC)[C@@H]1CC[N@@H+](CC2CC(C)C2)C1 ZINC001267787023 808492442 /nfs/dbraw/zinc/49/24/42/808492442.db2.gz UGAKWDIOZKXDTP-OFLPRAFFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)C[C@@H](C)C2CC2)C1 ZINC001267794159 808495191 /nfs/dbraw/zinc/49/51/91/808495191.db2.gz MVGVREBHQOZDAX-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@H](C#N)C1 ZINC001173088961 808503864 /nfs/dbraw/zinc/50/38/64/808503864.db2.gz SEXOORJPNOBYNX-DGCLKSJQSA-N 1 1 298.308 3.362 20 30 CGEDMO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@H](C#N)C1 ZINC001173088961 808503868 /nfs/dbraw/zinc/50/38/68/808503868.db2.gz SEXOORJPNOBYNX-DGCLKSJQSA-N 1 1 298.308 3.362 20 30 CGEDMO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](C#N)CC1 ZINC001173232383 808542507 /nfs/dbraw/zinc/54/25/07/808542507.db2.gz FTRYXTLITZPEFN-ZFWWWQNUSA-N 1 1 287.363 3.151 20 30 CGEDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](C#N)CC1 ZINC001173232379 808542880 /nfs/dbraw/zinc/54/28/80/808542880.db2.gz FTRYXTLITZPEFN-HIFRSBDPSA-N 1 1 287.363 3.151 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)CCC(C)C)CC[C@@H]21 ZINC001268262311 808573300 /nfs/dbraw/zinc/57/33/00/808573300.db2.gz JZEBWPHOKFBTOM-IRXDYDNUSA-N 1 1 292.467 3.312 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)[C@@H]2CCC[C@@H](F)C2)C1 ZINC001268300432 808577832 /nfs/dbraw/zinc/57/78/32/808577832.db2.gz OKXYXAHKTVSFMN-HUUCEWRRSA-N 1 1 298.446 3.286 20 30 CGEDMO C=C[C@@H](C(=O)NC1C[NH+](CC/C=C\CC)C1)c1ccccc1 ZINC001268482893 808592535 /nfs/dbraw/zinc/59/25/35/808592535.db2.gz AEJVQWIRCZTYEZ-OOFWQKGWSA-N 1 1 298.430 3.113 20 30 CGEDMO CCSC[C@@H](C)[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001173299376 808599728 /nfs/dbraw/zinc/59/97/28/808599728.db2.gz GEWSZWYZJRQYOI-GFCCVEGCSA-N 1 1 260.406 3.058 20 30 CGEDMO CCSC[C@H](C)[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001173300643 808599903 /nfs/dbraw/zinc/59/99/03/808599903.db2.gz MPUAOZLYPBNJCL-LBPRGKRZSA-N 1 1 260.406 3.058 20 30 CGEDMO C=CCOC1CCC([N@H+]2CCCC[C@H](F)C2)CC1 ZINC001173320430 808611820 /nfs/dbraw/zinc/61/18/20/808611820.db2.gz IKEWWBVZLSDLRQ-NFOMZHRRSA-N 1 1 255.377 3.324 20 30 CGEDMO C=CCCCC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccsc1 ZINC001268741938 808619271 /nfs/dbraw/zinc/61/92/71/808619271.db2.gz AZCNYWBJSGWMHK-ZDUSSCGKSA-N 1 1 280.437 3.041 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@H](NC(=O)C[C@@H]2C=CCC2)C1 ZINC001268996723 808641742 /nfs/dbraw/zinc/64/17/42/808641742.db2.gz SFUQIMJNBLJRNF-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)CC2=CCCCC2)C1 ZINC001269113291 808649150 /nfs/dbraw/zinc/64/91/50/808649150.db2.gz RZZOYYJCVNERCF-DOTOQJQBSA-N 1 1 290.451 3.422 20 30 CGEDMO Cc1nc([C@@H]2CCC[N@H+](C3CCC(C)(C#N)CC3)C2)no1 ZINC001173594281 808650315 /nfs/dbraw/zinc/65/03/15/808650315.db2.gz XXHOCFSUSVVBGL-VQCLRJIVSA-N 1 1 288.395 3.030 20 30 CGEDMO Cc1ccc(O[C@H]2CC[N@H+](C3CCC(C)(C#N)CC3)C2)nc1 ZINC001173596690 808650334 /nfs/dbraw/zinc/65/03/34/808650334.db2.gz BJNHZOVWIJOLRZ-PQUAAJSLSA-N 1 1 299.418 3.316 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[N@H+](CC2CCC(C)CC2)C1 ZINC001269156026 808652002 /nfs/dbraw/zinc/65/20/02/808652002.db2.gz JPCHBEHBSOLKDL-UYSNPLJNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)c1ccoc1CC ZINC001269229303 808658382 /nfs/dbraw/zinc/65/83/82/808658382.db2.gz GWAOWXUEBUSOKJ-UONOGXRCSA-N 1 1 290.407 3.001 20 30 CGEDMO CCC(CC)C[N@H+]1CC[C@@H](N(C)C(=O)C#CC(C)(C)C)C1 ZINC001269240195 808660599 /nfs/dbraw/zinc/66/05/99/808660599.db2.gz JASURZWYTPGXCJ-MRXNPFEDSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC(C)(C)C(=O)N(C)[C@H]1CC[N@H+](CC/C=C\CC)C1 ZINC001269279969 808663969 /nfs/dbraw/zinc/66/39/69/808663969.db2.gz GJAJQSYKAKMIHC-QWGSZXSUSA-N 1 1 292.467 3.478 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](CC)CCCCC)C1 ZINC001269296801 808665204 /nfs/dbraw/zinc/66/52/04/808665204.db2.gz RKWNCWWAOJEVAT-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)CC(C)C ZINC001269331000 808670354 /nfs/dbraw/zinc/67/03/54/808670354.db2.gz HNLQEGJMQOOXFL-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@]1(C)CCC(C)=C(C)C1 ZINC001269351805 808673233 /nfs/dbraw/zinc/67/32/33/808673233.db2.gz RJEDMMYJGLEJSD-AEFFLSMTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)[C@@]1(C)CCC(C)=C(C)C1 ZINC001269351805 808673235 /nfs/dbraw/zinc/67/32/35/808673235.db2.gz RJEDMMYJGLEJSD-AEFFLSMTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]1CNC(=O)c1cccc(C2CC2)c1 ZINC001269352978 808673667 /nfs/dbraw/zinc/67/36/67/808673667.db2.gz YDTXDXDRIYPFLT-GOSISDBHSA-N 1 1 298.430 3.334 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C(C)C)C1 ZINC001269556340 808687549 /nfs/dbraw/zinc/68/75/49/808687549.db2.gz LITIXOYWIRAWCV-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)/C=C/C(C)(C)C)C2)C1 ZINC001269686082 808697714 /nfs/dbraw/zinc/69/77/14/808697714.db2.gz MEALZWAQOZHXSR-KOEDOTQGSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)C3(CCC)CC3)C2)C1 ZINC001269735956 808702638 /nfs/dbraw/zinc/70/26/38/808702638.db2.gz GQVMWHCIWYTUGM-KRWDZBQOSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](CC)CCC)C1 ZINC001270643230 808740783 /nfs/dbraw/zinc/74/07/83/808740783.db2.gz SWMISGYWJJUKDL-RDJZCZTQSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@](C)(CNC(=O)C[C@@H](C)CC(C)C)C1 ZINC001271008109 808758971 /nfs/dbraw/zinc/75/89/71/808758971.db2.gz URNGZYYVVWGTHV-FUHWJXTLSA-N 1 1 294.483 3.463 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)C(C)(CC)CC)C1 ZINC001271016169 808759102 /nfs/dbraw/zinc/75/91/02/808759102.db2.gz FUGDFIRJMZIIII-QGZVFWFLSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CC1 ZINC001272045162 808794922 /nfs/dbraw/zinc/79/49/22/808794922.db2.gz UJQNPRGNHLUKSM-HOTGVXAUSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)/C(C)=C\CC)[C@@H]2C1 ZINC001272062475 808795938 /nfs/dbraw/zinc/79/59/38/808795938.db2.gz LLWBHNWBUOQGHY-OQULSUTQSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)/C(C)=C\CC)[C@@H]2C1 ZINC001272062475 808795941 /nfs/dbraw/zinc/79/59/41/808795941.db2.gz LLWBHNWBUOQGHY-OQULSUTQSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)C=C(CC)CC)CC[C@@H]21 ZINC001272204055 808800125 /nfs/dbraw/zinc/80/01/25/808800125.db2.gz AACJLGPNJJDVTC-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@H+](C)CCN(C)C(=O)c1ccc(CC)c(CC)c1 ZINC001272186132 808800177 /nfs/dbraw/zinc/80/01/77/808800177.db2.gz XYDPERWPRCDSRO-UHFFFAOYSA-N 1 1 288.435 3.001 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@H+](CC(CC)CC)CC2)C1=O ZINC001272421643 808806927 /nfs/dbraw/zinc/80/69/27/808806927.db2.gz LIBYFOUWIUNDHZ-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCCCCC ZINC001272477973 808812641 /nfs/dbraw/zinc/81/26/41/808812641.db2.gz YFYFZDKMUCTACO-HZPDHXFCSA-N 1 1 278.440 3.208 20 30 CGEDMO N#Cc1cccc(Nc2cc[nH+]c3ccccc23)c1F ZINC001174038164 808835624 /nfs/dbraw/zinc/83/56/24/808835624.db2.gz HCOPYDMDXCEETJ-UHFFFAOYSA-N 1 1 263.275 3.411 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](CC)C(C)C)CC1 ZINC001273464354 808846826 /nfs/dbraw/zinc/84/68/26/808846826.db2.gz BPTFCULNHWPCDX-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)C(C)C)CC1 ZINC001273455804 808847330 /nfs/dbraw/zinc/84/73/30/808847330.db2.gz AELSGVJTARAKRI-UONOGXRCSA-N 1 1 286.847 3.002 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@]2(C1)c1ccccc1N(CC=C)C2=O ZINC001273486454 808847801 /nfs/dbraw/zinc/84/78/01/808847801.db2.gz HWLZMDFOAYBBDT-LJQANCHMSA-N 1 1 296.414 3.129 20 30 CGEDMO C=CCCCC[N@H+]1CC[C@]2(CCN(C3CCCC3)C2=O)C1 ZINC001273494876 808848225 /nfs/dbraw/zinc/84/82/25/808848225.db2.gz IEJJQFQAGIIJNZ-SFHVURJKSA-N 1 1 290.451 3.210 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@]12CCN(CCCC)C2=O ZINC001273495273 808850299 /nfs/dbraw/zinc/85/02/99/808850299.db2.gz SBPSFFNZDCWHPI-QGZVFWFLSA-N 1 1 278.440 3.210 20 30 CGEDMO C=CCC[N@@H+]1Cc2ccc(CNC(=O)C3(C)CCC3)cc2C1 ZINC001274036661 808868050 /nfs/dbraw/zinc/86/80/50/808868050.db2.gz PDNWCHDPCVNNIX-UHFFFAOYSA-N 1 1 298.430 3.385 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)/C=C\C(C)(C)C)C(C)(C)C1 ZINC001274425114 808875460 /nfs/dbraw/zinc/87/54/60/808875460.db2.gz JZAQVGXOLWSMGK-WWRUEGTHSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)CC)C(C)(C)C1 ZINC001274417516 808875793 /nfs/dbraw/zinc/87/57/93/808875793.db2.gz WDDZLMUINQHEHN-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](C/C=C\Cl)CC1(C)C ZINC001274447623 808876464 /nfs/dbraw/zinc/87/64/64/808876464.db2.gz YEGWGRZJKUXPNH-JWJUJFCLSA-N 1 1 298.858 3.168 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C2(CCC)CC2)C[C@@H]1C ZINC001274646505 808880733 /nfs/dbraw/zinc/88/07/33/808880733.db2.gz YDDZCULAJCTFIN-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2Cc1ccc[nH]1 ZINC001274974036 808895133 /nfs/dbraw/zinc/89/51/33/808895133.db2.gz CNCKDUPXRNIVFS-CALCHBBNSA-N 1 1 273.424 3.020 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)/C(C)=C\CC ZINC001275094726 808907469 /nfs/dbraw/zinc/90/74/69/808907469.db2.gz SJLXDHZFNJWDTF-MVMZHWFQSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)C1(C)CCC1 ZINC001275135677 808913694 /nfs/dbraw/zinc/91/36/94/808913694.db2.gz MXZOZJPSCYIUJB-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)c1occc1C(C)C ZINC001275629081 808952726 /nfs/dbraw/zinc/95/27/26/808952726.db2.gz JKKRVFPKMQKEAE-CYBMUJFWSA-N 1 1 278.396 3.029 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H](C)C[N@@H+](C)CCCCCF)CC1 ZINC001275636233 808954263 /nfs/dbraw/zinc/95/42/63/808954263.db2.gz AKLDNGOZQYTORI-HNNXBMFYSA-N 1 1 298.446 3.309 20 30 CGEDMO C=CC[N@H+](C)C[C@H](C)NC(=O)C(C)(C)C1CCCCC1 ZINC001275671810 808956936 /nfs/dbraw/zinc/95/69/36/808956936.db2.gz DHPBRRNHZXYASK-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@H+](C)C[C@@H](C)NC(=O)CCCc1ccc(C)s1 ZINC001275736938 808961181 /nfs/dbraw/zinc/96/11/81/808961181.db2.gz DAHIBXSCBVSJJO-CYBMUJFWSA-N 1 1 294.464 3.002 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)c1coc2ccccc12 ZINC001275739044 808961731 /nfs/dbraw/zinc/96/17/31/808961731.db2.gz TXKIZRPBUHMZQE-CYBMUJFWSA-N 1 1 286.375 3.059 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)C1C(C)(C)C1(C)C ZINC001275799670 808966355 /nfs/dbraw/zinc/96/63/55/808966355.db2.gz FMGDVACXBDVWAR-ZDUSSCGKSA-N 1 1 280.456 3.071 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)/C=C/C(C)(C)C)C(C)(C)C1 ZINC001276569580 809017225 /nfs/dbraw/zinc/01/72/25/809017225.db2.gz ILBDHMLOEKYUMT-HQPKTYMTSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CCC(C)(C)C)CC1(C)C ZINC001276601784 809019710 /nfs/dbraw/zinc/01/97/10/809019710.db2.gz SJUTUORLLQMJQP-CQSZACIVSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1C[N@H+](C/C=C/Cl)CC1(C)C ZINC001276602366 809019921 /nfs/dbraw/zinc/01/99/21/809019921.db2.gz ZHOALFHDSNFACB-GWJCSSMESA-N 1 1 298.858 3.168 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1C[N@@H+](C/C=C/Cl)CC1(C)C ZINC001276602366 809019930 /nfs/dbraw/zinc/01/99/30/809019930.db2.gz ZHOALFHDSNFACB-GWJCSSMESA-N 1 1 298.858 3.168 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)CCCCCC)C(C)(C)C1 ZINC001276623872 809023111 /nfs/dbraw/zinc/02/31/11/809023111.db2.gz GMLLHXVQXPNPDF-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO CC#CCCCC(=O)NC[C@@H]1CC[N@H+]1[C@H](C)c1ccccc1 ZINC001276908879 809043419 /nfs/dbraw/zinc/04/34/19/809043419.db2.gz MLMRXBIJRXOIDB-AEFFLSMTSA-N 1 1 298.430 3.132 20 30 CGEDMO N#Cc1cccc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCCC2)c1 ZINC001276953909 809049312 /nfs/dbraw/zinc/04/93/12/809049312.db2.gz RZIRAVDLWIHIDP-HDICACEKSA-N 1 1 281.403 3.154 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@]2(CCC[C@H]2C(=O)N(C)C)C1 ZINC001277153175 809060044 /nfs/dbraw/zinc/06/00/44/809060044.db2.gz XLWPSXWPPTWXBN-WMZOPIPTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]2C[C@@]21C(=O)N(CC)C(C)C ZINC001277153330 809060343 /nfs/dbraw/zinc/06/03/43/809060343.db2.gz ZVYMHPWLZPRSBT-AEFFLSMTSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CC[C@@]2(CCC[C@@H]2C(N)=O)C1 ZINC001277167353 809061821 /nfs/dbraw/zinc/06/18/21/809061821.db2.gz RVSWLNCGTLPRLE-AEFFLSMTSA-N 1 1 292.467 3.491 20 30 CGEDMO CCc1cc(C#N)ccc1CN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC001277234367 809065336 /nfs/dbraw/zinc/06/53/36/809065336.db2.gz YXMMLVBPZLCIOI-IBGZPJMESA-N 1 1 297.446 3.038 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)C/C=C(/C)C=C)CC1 ZINC001277423941 809074377 /nfs/dbraw/zinc/07/43/77/809074377.db2.gz XWIBMSCCRSQDBG-SXGWCWSVSA-N 1 1 290.451 3.398 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)/C=C/C(C)(C)C)C2)C1 ZINC001277509565 809079499 /nfs/dbraw/zinc/07/94/99/809079499.db2.gz NOCZLRLTXKRDCE-LKGOPFMKSA-N 1 1 290.451 3.089 20 30 CGEDMO CCCC[C@@H](CC)C[N@H+]1C[C@@H]2CCN(CCC#N)[C@@H]2C1 ZINC001277936819 809107505 /nfs/dbraw/zinc/10/75/05/809107505.db2.gz QHEPIDNYXKAQEU-IXDOHACOSA-N 1 1 277.456 3.123 20 30 CGEDMO C=CCCC(=O)N[C@@]1(C)CC[N@H+](CC2CCC(C)CC2)C1 ZINC001278369180 809128962 /nfs/dbraw/zinc/12/89/62/809128962.db2.gz NDSJJDSGQVFSAP-HTWSVDAQSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCCCCCC(=O)N[C@@]1(C)CC[N@H+](C[C@@H](C)CC)C1 ZINC001278414284 809131299 /nfs/dbraw/zinc/13/12/99/809131299.db2.gz RAKDXLRGUGHFSF-WMZOPIPTSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)CC(C)(C)C)CCC[C@H]12 ZINC001278430860 809132409 /nfs/dbraw/zinc/13/24/09/809132409.db2.gz JZGUTQBWXQXOSL-YOEHRIQHSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@]2(NC(=O)CC3CC3)CCC[C@@H]12 ZINC001278433923 809133595 /nfs/dbraw/zinc/13/35/95/809133595.db2.gz ZZBNWMMCUIEHAR-LESCRADOSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)/C=C(/C)CC)[C@@H]1C ZINC001278510899 809139352 /nfs/dbraw/zinc/13/93/52/809139352.db2.gz PLUSQVUKMKLKBL-GBDTVTBQSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C=C2CCC2)[C@@H]1C ZINC001278505376 809139443 /nfs/dbraw/zinc/13/94/43/809139443.db2.gz JDRNHGRCPQHYND-GOEBONIOSA-N 1 1 276.424 3.032 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CCCCCCCC)[C@@H]1C ZINC001278526106 809140649 /nfs/dbraw/zinc/14/06/49/809140649.db2.gz FZRWFDJJJKHBFJ-DLBZAZTESA-N 1 1 292.467 3.339 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@]1(C)CCC[N@H+](CC(C)C)C1 ZINC001278673371 809150375 /nfs/dbraw/zinc/15/03/75/809150375.db2.gz RSDHQKSSDXJENK-QGZVFWFLSA-N 1 1 280.456 3.073 20 30 CGEDMO CC#CC[N@@H+](C)CCN(C(=O)C[C@H]1CCC[C@H]1C)C(C)C ZINC001278907345 809155061 /nfs/dbraw/zinc/15/50/61/809155061.db2.gz BZAIBDDPKOJZPX-IAGOWNOFSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC=C(CNC(=O)CCC2CC2)CC1 ZINC001279519071 809173062 /nfs/dbraw/zinc/17/30/62/809173062.db2.gz CMDJTNRBFBMNCO-OAHLLOKOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@H](C)[C@H](C)CC)CC1 ZINC001279661019 809176839 /nfs/dbraw/zinc/17/68/39/809176839.db2.gz JWPLSRVTTBLVIK-HZPDHXFCSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)C(C)C)CC1 ZINC001280761737 809197076 /nfs/dbraw/zinc/19/70/76/809197076.db2.gz ZSJTUCFBLNAJAR-JKSUJKDBSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C=C)CC)CC1 ZINC001280757058 809197703 /nfs/dbraw/zinc/19/77/03/809197703.db2.gz SJQZFPMHDUWPAE-JKSUJKDBSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC001280756854 809198095 /nfs/dbraw/zinc/19/80/95/809198095.db2.gz PETXZJHQZYMGFT-BRWVUGGUSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCCCCC(=O)N[C@@H]1CC[N@H+](CCC(C)C)[C@@H](C)C1 ZINC001281657409 809216393 /nfs/dbraw/zinc/21/63/93/809216393.db2.gz CWTPMVQZEGYEMA-DLBZAZTESA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]([C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001281974417 809226438 /nfs/dbraw/zinc/22/64/38/809226438.db2.gz CEIAWQQMROIVPB-DLBZAZTESA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)c1cc(C)cc(Cl)c1 ZINC001282432281 809246212 /nfs/dbraw/zinc/24/62/12/809246212.db2.gz ZIGFIJMDTNPBOB-ZDUSSCGKSA-N 1 1 294.826 3.275 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)C12CCC(CC1)CC2 ZINC001282498166 809252854 /nfs/dbraw/zinc/25/28/54/809252854.db2.gz VWUMLOJKGYHZCP-KLHKWILBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)C1CC(C(C)(C)C)C1 ZINC001282503764 809253135 /nfs/dbraw/zinc/25/31/35/809253135.db2.gz FYRDNKJMJGCLQF-NFOMZHRRSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)C1(C2CC2)CC1 ZINC001282666546 809258400 /nfs/dbraw/zinc/25/84/00/809258400.db2.gz RTRVSBQTVVRRGM-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)CCCCCC ZINC001282677828 809259455 /nfs/dbraw/zinc/25/94/55/809259455.db2.gz IKBGMIFFTCWJGB-KRWDZBQOSA-N 1 1 292.467 3.341 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)C[C@@H](C)CC)C(C)(C)C1 ZINC001282801187 809263151 /nfs/dbraw/zinc/26/31/51/809263151.db2.gz SHTJWVKCKDYGEY-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@@H](CCC)C(C)C)C(C)(C)C1 ZINC001282823653 809265392 /nfs/dbraw/zinc/26/53/92/809265392.db2.gz WUQWXBDFHHUBBR-HOTGVXAUSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)C2(F)CCCC2)CC1 ZINC001283318510 809275471 /nfs/dbraw/zinc/27/54/71/809275471.db2.gz ZVHLFJYVRREVCA-UHFFFAOYSA-N 1 1 296.430 3.158 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)CSC(C)C)[C@@H]1C ZINC001284119093 809296935 /nfs/dbraw/zinc/29/69/35/809296935.db2.gz KZVJEMHPOYAFHH-LSDHHAIUSA-N 1 1 298.496 3.063 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)CCCC2CC2)[C@@H]1C ZINC001284128259 809297753 /nfs/dbraw/zinc/29/77/53/809297753.db2.gz AVQIPFKUVAJNHL-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C[C@H](CC)CC(=O)NCC1=CC[N@@H+](CC=C(C)C)CC1 ZINC001284950080 809321271 /nfs/dbraw/zinc/32/12/71/809321271.db2.gz ZUBJPKVARNITRN-MRXNPFEDSA-N 1 1 290.451 3.303 20 30 CGEDMO C[N@H+]1CCC=C(Nc2ccc(C(C)(C)C#N)cc2)C1 ZINC001175580150 809460039 /nfs/dbraw/zinc/46/00/39/809460039.db2.gz VIIQDCMLPRPUIG-UHFFFAOYSA-N 1 1 255.365 3.119 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)c1ccccc1CCC ZINC001297372915 809516389 /nfs/dbraw/zinc/51/63/89/809516389.db2.gz IXANHTIUIPGFIZ-UHFFFAOYSA-N 1 1 288.435 3.219 20 30 CGEDMO CCCCCCCCC(=O)N(CC)[C@@H]1CC[N@@H+](C)C1 ZINC001300704121 809572508 /nfs/dbraw/zinc/57/25/08/809572508.db2.gz AXTFVNCYAGQOTQ-OAHLLOKOSA-N 1 1 268.445 3.290 20 30 CGEDMO N#CC1(CC[N@H+]2CCOC[C@H]2CC2CC2)CCCCC1 ZINC001176401778 809687114 /nfs/dbraw/zinc/68/71/14/809687114.db2.gz JKALLCPRERFZLS-MRXNPFEDSA-N 1 1 276.424 3.351 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1cc(CO)ccc1F ZINC001176771921 809760150 /nfs/dbraw/zinc/76/01/50/809760150.db2.gz XXAAAVRALLIVGX-HNNXBMFYSA-N 1 1 263.356 3.249 20 30 CGEDMO C#C[C@@H]1CCCC[N@@H+]1CCSc1cccc(OC)c1 ZINC001176833441 809763747 /nfs/dbraw/zinc/76/37/47/809763747.db2.gz WOZIRRBIVSQDMG-CQSZACIVSA-N 1 1 275.417 3.275 20 30 CGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H](C3CCCC3)C2)cc1 ZINC001176932723 809769910 /nfs/dbraw/zinc/76/99/10/809769910.db2.gz PXYZARQTENPNSS-OALUTQOASA-N 1 1 298.430 3.494 20 30 CGEDMO C=CCOc1cccc(CNC[C@H]2CCCC[N@H+]2CC)c1 ZINC001177816205 809824194 /nfs/dbraw/zinc/82/41/94/809824194.db2.gz HIROGSDARXZFGR-QGZVFWFLSA-N 1 1 288.435 3.215 20 30 CGEDMO C=CCOc1cccc(CNC[C@H]2CCCC[N@@H+]2CC)c1 ZINC001177816205 809824198 /nfs/dbraw/zinc/82/41/98/809824198.db2.gz HIROGSDARXZFGR-QGZVFWFLSA-N 1 1 288.435 3.215 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1cc[nH]c(=O)c1 ZINC001181409409 810050860 /nfs/dbraw/zinc/05/08/60/810050860.db2.gz CQYBMICZAYLWJL-UHFFFAOYSA-N 1 1 268.360 3.366 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](CCN(C)C)CC1CCCCC1 ZINC001181471961 810054858 /nfs/dbraw/zinc/05/48/58/810054858.db2.gz MAOXERXCYMRYJZ-INIZCTEOSA-N 1 1 279.472 3.370 20 30 CGEDMO C#C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccc(Cl)cc1F ZINC001181697130 810066959 /nfs/dbraw/zinc/06/69/59/810066959.db2.gz FQONLYGGIZXKTG-LKTVYLICSA-N 1 1 281.758 3.311 20 30 CGEDMO C=CC[N@@H+](CCC#N)CC1(OC)CCCCCC1 ZINC001182009185 810089327 /nfs/dbraw/zinc/08/93/27/810089327.db2.gz ZSRDROOZYDGLHB-UHFFFAOYSA-N 1 1 250.386 3.127 20 30 CGEDMO C=CC[N@H+](CCC#N)CC1(OC)CCCCCC1 ZINC001182009185 810089329 /nfs/dbraw/zinc/08/93/29/810089329.db2.gz ZSRDROOZYDGLHB-UHFFFAOYSA-N 1 1 250.386 3.127 20 30 CGEDMO C#CCCCCCC[NH+]1CC(Oc2ccccc2)C1 ZINC001184428048 810199098 /nfs/dbraw/zinc/19/90/98/810199098.db2.gz GBNDTLYXQYXRHU-UHFFFAOYSA-N 1 1 257.377 3.333 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H]2CCN(C(=O)C3CCC3)[C@@H]2C1 ZINC001186637100 810353331 /nfs/dbraw/zinc/35/33/31/810353331.db2.gz LKVGOOXDONIXSJ-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CCCCC)[C@@H]2C1 ZINC001186872098 810367382 /nfs/dbraw/zinc/36/73/82/810367382.db2.gz DOPZRCQPXFVHBI-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]2C[N@H+](CC/C=C/CC)C[C@H]21 ZINC001188080897 810452171 /nfs/dbraw/zinc/45/21/71/810452171.db2.gz OZCAQNHZPBXQIY-LZCSOBMZSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(C)o2)C1 ZINC001188737512 810510213 /nfs/dbraw/zinc/51/02/13/810510213.db2.gz MSTKJKXFQHYOCP-HIFRSBDPSA-N 1 1 290.407 3.089 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)CCC(C)C)C1 ZINC001188836347 810518885 /nfs/dbraw/zinc/51/88/85/810518885.db2.gz RAFNZIUAXLTNCW-CVEARBPZSA-N 1 1 280.456 3.310 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CSCCC)C1 ZINC001189143374 810544300 /nfs/dbraw/zinc/54/43/00/810544300.db2.gz ZRXZMAHZWHIXEO-LSDHHAIUSA-N 1 1 298.496 3.017 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)CCCCCC)[C@@H]2C1 ZINC001189506930 810573780 /nfs/dbraw/zinc/57/37/80/810573780.db2.gz NEWCHFQDQNAXKS-IXDOHACOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C2C(C)(C)C2(C)C)C1 ZINC001189556440 810576096 /nfs/dbraw/zinc/57/60/96/810576096.db2.gz LEYUXAGEFBUDQJ-AWEZNQCLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)c2oc(C)cc2C)C1 ZINC001189575472 810580041 /nfs/dbraw/zinc/58/00/41/810580041.db2.gz USYYNNUQNMGHOV-OAHLLOKOSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[C@H]([N@H+](C)CCCCC)C1 ZINC001190354650 810621018 /nfs/dbraw/zinc/62/10/18/810621018.db2.gz MNAIJPOSYLWWIK-KRWDZBQOSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[C@@H]([N@@H+](C)C/C=C\Cl)C1 ZINC001190354652 810621984 /nfs/dbraw/zinc/62/19/84/810621984.db2.gz MPODQMPEPURPEA-IZIDJEDMSA-N 1 1 296.842 3.040 20 30 CGEDMO C#CC[N@H+](C[C@H](O)[C@@H](C)c1ccccc1)C1CCCCC1 ZINC001190699200 810643582 /nfs/dbraw/zinc/64/35/82/810643582.db2.gz GAJYEDGWVNYPLX-LPHOPBHVSA-N 1 1 285.431 3.419 20 30 CGEDMO C=CC[N@@H+](CC(=O)OCC(C)C)CC1CCCCC1 ZINC001190985497 810660584 /nfs/dbraw/zinc/66/05/84/810660584.db2.gz QAKVIZGHUVFQQE-UHFFFAOYSA-N 1 1 267.413 3.254 20 30 CGEDMO C=CC[N@H+](CC(=O)OCC(C)C)CC1CCCCC1 ZINC001190985497 810660589 /nfs/dbraw/zinc/66/05/89/810660589.db2.gz QAKVIZGHUVFQQE-UHFFFAOYSA-N 1 1 267.413 3.254 20 30 CGEDMO CCCCCCCCNC(=O)NC[C@H]1CCCC[N@H+]1C ZINC001191074039 810670456 /nfs/dbraw/zinc/67/04/56/810670456.db2.gz BDIYQNNZBHAQQK-OAHLLOKOSA-N 1 1 283.460 3.130 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001191304293 810700554 /nfs/dbraw/zinc/70/05/54/810700554.db2.gz WUTVUWFEGRITHP-ARFHVFGLSA-N 1 1 292.467 3.168 20 30 CGEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CCc2ccc(C#N)cc2)C12CCC2 ZINC001191549518 810725004 /nfs/dbraw/zinc/72/50/04/810725004.db2.gz COVQYAKIYVBWDV-QZTJIDSGSA-N 1 1 298.430 3.380 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)CC=C(C)C)C1 ZINC001191684372 810730411 /nfs/dbraw/zinc/73/04/11/810730411.db2.gz QFGTXHKBLFHSAX-HNNXBMFYSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C2(CC)CCC2)C1 ZINC001191818421 810746267 /nfs/dbraw/zinc/74/62/67/810746267.db2.gz FDZPFZYHEADKMJ-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C2(CCC)CCC2)C1 ZINC001191850384 810750943 /nfs/dbraw/zinc/75/09/43/810750943.db2.gz SYXVZOGCBVDTLV-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([N@H+](C)CC/C=C/CC)C1 ZINC001191867549 810753235 /nfs/dbraw/zinc/75/32/35/810753235.db2.gz DVIHDDMXYDNPRI-UAEOLWBESA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]([N@H+](C)CCCCC)C1 ZINC001191911443 810756091 /nfs/dbraw/zinc/75/60/91/810756091.db2.gz GCQUNMGOUOKKEJ-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C1CCC(C(=O)N2CC[C@H]([N@H+](C)CC[C@@H](C)F)C2)CC1 ZINC001192180915 810774466 /nfs/dbraw/zinc/77/44/66/810774466.db2.gz OKNLJAJESQKLHW-ZBFHGGJFSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCCC1(C(=O)N2CC[C@H]([N@H+](C)C[C@H](C)CC)C2)CC1 ZINC001192207395 810775437 /nfs/dbraw/zinc/77/54/37/810775437.db2.gz WYZSMMKWGZCOIX-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001192240221 810779639 /nfs/dbraw/zinc/77/96/39/810779639.db2.gz ZQVIJLQDDSEXRO-JFIYKMOQSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001192237363 810779870 /nfs/dbraw/zinc/77/98/70/810779870.db2.gz GSRZQXWWWLXVHW-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC[C@@H]([N@@H+](C)CCCCCF)C2)C1 ZINC001192256460 810781104 /nfs/dbraw/zinc/78/11/04/810781104.db2.gz IAXOQAHIRSTMDH-OAHLLOKOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)CC/C=C\c2ccccc2)C1 ZINC001192326977 810787206 /nfs/dbraw/zinc/78/72/06/810787206.db2.gz VZSKYTUCAGWOAZ-RLGIIYIFSA-N 1 1 298.430 3.199 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC23CC3)C1 ZINC001192532752 810805220 /nfs/dbraw/zinc/80/52/20/810805220.db2.gz LCSYPMUHRYAOKB-HZPDHXFCSA-N 1 1 292.467 3.290 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)CC=C)C1 ZINC001192578210 810807375 /nfs/dbraw/zinc/80/73/75/810807375.db2.gz MXEKZWYBEOEHQT-HNNXBMFYSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)CC(C)(C)C)C1 ZINC001192688743 810816622 /nfs/dbraw/zinc/81/66/22/810816622.db2.gz ZBLPXMCVRDLUKV-HUUCEWRRSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)CCC2(C)CC2)C1 ZINC001193258063 810867991 /nfs/dbraw/zinc/86/79/91/810867991.db2.gz PWTOYXOPWKZJLF-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO CCCCCCCOC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC001194013414 811001372 /nfs/dbraw/zinc/00/13/72/811001372.db2.gz XEFDBWLTKGYIHD-OAHLLOKOSA-N 1 1 284.444 3.415 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)C[C@H](OC)C1CCCC1 ZINC001194165453 811024784 /nfs/dbraw/zinc/02/47/84/811024784.db2.gz SICLTKJWMUAAAY-SFHVURJKSA-N 1 1 271.404 3.327 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)C2(CC)CCCCC2)C1 ZINC001194218952 811037148 /nfs/dbraw/zinc/03/71/48/811037148.db2.gz ZJTGHJBNMQLGTN-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)CCCC2CCCC2)C1 ZINC001194326367 811052243 /nfs/dbraw/zinc/05/22/43/811052243.db2.gz OOYQXWZFDJFKIC-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C#CCOCC[N@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC001194641277 811100182 /nfs/dbraw/zinc/10/01/82/811100182.db2.gz TXLGWLQLQMMBKO-FQEVSTJZSA-N 1 1 291.394 3.284 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)CCC(C)C)CC1 ZINC001194795636 811136057 /nfs/dbraw/zinc/13/60/57/811136057.db2.gz SQRQGCLJULWMGM-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)CSCCC)CC1 ZINC001195062928 811192720 /nfs/dbraw/zinc/19/27/20/811192720.db2.gz GILQAYQENSQRPC-HNNXBMFYSA-N 1 1 298.496 3.019 20 30 CGEDMO C#CCCCCC(=O)N1CCC[N@H+]([C@@H](C)CCC=C)CC1 ZINC001195540411 811265233 /nfs/dbraw/zinc/26/52/33/811265233.db2.gz ABGUBGPKHBLGAT-KRWDZBQOSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)CCC[C@@H](C)CCC)CC1 ZINC001195990686 811310231 /nfs/dbraw/zinc/31/02/31/811310231.db2.gz ZDNAZKSNHYGTJY-INIZCTEOSA-N 1 1 280.456 3.313 20 30 CGEDMO C/C=C\C[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC001196615540 811356611 /nfs/dbraw/zinc/35/66/11/811356611.db2.gz XECDJDAJFQTZLJ-CRBAWYFGSA-N 1 1 284.403 3.270 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C(C)(C)C=C)CC1 ZINC001196732470 811361471 /nfs/dbraw/zinc/36/14/71/811361471.db2.gz QDISSIZNEYFDKF-OAHLLOKOSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCC[N@H+]1CCCN(C(=O)C2CC3(CCC3)C2)CC1 ZINC001196822316 811370941 /nfs/dbraw/zinc/37/09/41/811370941.db2.gz BIHGTALYRPBUPO-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)CCCC2CC2)CC1 ZINC001196862628 811375291 /nfs/dbraw/zinc/37/52/91/811375291.db2.gz SMGPCGVUKJSKDK-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C[C@H](C)[C@@H](C)C(=O)N1CCC[N@H+](CC/C=C\CC)CC1 ZINC001196854818 811375881 /nfs/dbraw/zinc/37/58/81/811375881.db2.gz UKNCMLWUGCSBKI-PRJTXATQSA-N 1 1 292.467 3.335 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1CCC[N@H+](CC/C=C/CC)CC1 ZINC001196880502 811375945 /nfs/dbraw/zinc/37/59/45/811375945.db2.gz LFLGXGKRJOKFPM-DKRLNXSXSA-N 1 1 292.467 3.479 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CCC[N@@H+](CC2CC(C)C2)CC1 ZINC001196889842 811380675 /nfs/dbraw/zinc/38/06/75/811380675.db2.gz IOCDEVHZLOGCNF-CGZBRXJRSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC001197176898 811403187 /nfs/dbraw/zinc/40/31/87/811403187.db2.gz GBNSLCOIKCZYFT-XHSDSOJGSA-N 1 1 251.414 3.358 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)C(C)(C)CC=C)CC1 ZINC001197300726 811412891 /nfs/dbraw/zinc/41/28/91/811412891.db2.gz RARXNEJQLBHUOF-UHFFFAOYSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)CC[C@@H](C)CC)CC1 ZINC001197545512 811428461 /nfs/dbraw/zinc/42/84/61/811428461.db2.gz MCEFGTWTIJDPQQ-INIZCTEOSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCCCC[N@H+](C)CCCC(=O)OC(C)(C)C ZINC001198442181 811503583 /nfs/dbraw/zinc/50/35/83/811503583.db2.gz YMJRCRSDFRZPGO-UHFFFAOYSA-N 1 1 255.402 3.396 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1cn(-c2cccc(F)c2)nc1C ZINC001200703956 811737714 /nfs/dbraw/zinc/73/77/14/811737714.db2.gz PYPGVKLNIVDYRM-UHFFFAOYSA-N 1 1 279.746 3.162 20 30 CGEDMO CC[C@H](C)C[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001201517259 811880164 /nfs/dbraw/zinc/88/01/64/811880164.db2.gz PCDOVQDREBDDEB-YOEHRIQHSA-N 1 1 272.392 3.448 20 30 CGEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](CCC(C)C)C2 ZINC001201618366 811920945 /nfs/dbraw/zinc/92/09/45/811920945.db2.gz UZHJEKKJGRGXLH-IAGOWNOFSA-N 1 1 281.440 3.106 20 30 CGEDMO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](CCCCCC)C2 ZINC001201754805 811960301 /nfs/dbraw/zinc/96/03/01/811960301.db2.gz IZBBEUSCVIBOEE-SJORKVTESA-N 1 1 281.440 3.393 20 30 CGEDMO CCCCCCC[N@H+]1CC2CC1(C(=O)N1CCCC1)C2 ZINC001201777024 811965191 /nfs/dbraw/zinc/96/51/91/811965191.db2.gz RWXYNVAKIKUUFU-UHFFFAOYSA-N 1 1 278.440 3.044 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]2OCCC[C@@]2(COC)C1 ZINC001201776930 811965273 /nfs/dbraw/zinc/96/52/73/811965273.db2.gz PIKWMBKOSYZJER-SJORKVTESA-N 1 1 283.456 3.474 20 30 CGEDMO CCCCCCCC[N@@H+]1Cc2nccn2C[C@H](COC)C1 ZINC001201813466 811968534 /nfs/dbraw/zinc/96/85/34/811968534.db2.gz DRWYKXGDFICZHZ-MRXNPFEDSA-N 1 1 293.455 3.322 20 30 CGEDMO CCCCCCCC[N@H+]1C[C@@H]2C[C@H](C1)C2C(=O)OC ZINC001201840153 811969128 /nfs/dbraw/zinc/96/91/28/811969128.db2.gz NLPVFHPSJDNPLM-YIONKMFJSA-N 1 1 267.413 3.088 20 30 CGEDMO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](CCC(C)(C)C)C2 ZINC001202073285 812010052 /nfs/dbraw/zinc/01/00/52/812010052.db2.gz LVUADHXLQBRNHR-WMZOPIPTSA-N 1 1 295.467 3.496 20 30 CGEDMO COc1ccccc1C[N@H+](CCC#N)C1CCCC1 ZINC001203431840 812355078 /nfs/dbraw/zinc/35/50/78/812355078.db2.gz AVLIYNVOZYGRQF-UHFFFAOYSA-N 1 1 258.365 3.353 20 30 CGEDMO COc1ccccc1C[N@@H+](CCC#N)C1CCCC1 ZINC001203431840 812355088 /nfs/dbraw/zinc/35/50/88/812355088.db2.gz AVLIYNVOZYGRQF-UHFFFAOYSA-N 1 1 258.365 3.353 20 30 CGEDMO COc1ccc2c(Nc3ncccc3C#N)cc[nH+]c2c1 ZINC001203519518 812381127 /nfs/dbraw/zinc/38/11/27/812381127.db2.gz JPKSBHFXHDQQKS-UHFFFAOYSA-N 1 1 276.299 3.254 20 30 CGEDMO COc1cc(C)c(C[N@@H+]2CC[C@](C)(C#N)C2)cc1C ZINC001203757202 812456494 /nfs/dbraw/zinc/45/64/94/812456494.db2.gz CJYHZHDPVYOZTI-MRXNPFEDSA-N 1 1 258.365 3.048 20 30 CGEDMO COc1cc(C)c(C[N@H+]2CC[C@](C)(C#N)C2)cc1C ZINC001203757202 812456497 /nfs/dbraw/zinc/45/64/97/812456497.db2.gz CJYHZHDPVYOZTI-MRXNPFEDSA-N 1 1 258.365 3.048 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cccc(Br)c2)C1 ZINC001203768589 812459416 /nfs/dbraw/zinc/45/94/16/812459416.db2.gz FJCAYUDFEQMQRB-GFCCVEGCSA-N 1 1 278.193 3.294 20 30 CGEDMO N#CC1(c2ccccc2F)CC[NH+](Cc2ccncc2)CC1 ZINC001204081900 812544342 /nfs/dbraw/zinc/54/43/42/812544342.db2.gz LQKAWHVRRFKFOJ-UHFFFAOYSA-N 1 1 295.361 3.278 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2cccc(F)c2F)CC1 ZINC001204198107 812572242 /nfs/dbraw/zinc/57/22/42/812572242.db2.gz OIBYUXCFHQBICV-NSHDSACASA-N 1 1 250.292 3.090 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2cccc(F)c2F)CC1 ZINC001204198107 812572248 /nfs/dbraw/zinc/57/22/48/812572248.db2.gz OIBYUXCFHQBICV-NSHDSACASA-N 1 1 250.292 3.090 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCOC[C@@H]2C(C)C)cc1 ZINC001204302178 812604559 /nfs/dbraw/zinc/60/45/59/812604559.db2.gz FDIWTAYKBVMSIV-QGZVFWFLSA-N 1 1 275.392 3.108 20 30 CGEDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2csc(C#N)c2)C1(C)C ZINC001204359816 812620725 /nfs/dbraw/zinc/62/07/25/812620725.db2.gz RJIZUIPUZXPCHH-HIFRSBDPSA-N 1 1 278.421 3.255 20 30 CGEDMO CC(=O)n1cc(C[N@H+]2CCC[C@@H](C#N)CC2)c2ccccc21 ZINC001204410330 812630682 /nfs/dbraw/zinc/63/06/82/812630682.db2.gz NYPUFKVHLZJMGH-OAHLLOKOSA-N 1 1 295.386 3.427 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC001204431992 812635909 /nfs/dbraw/zinc/63/59/09/812635909.db2.gz JJFUUGFQOWKBOT-LBPRGKRZSA-N 1 1 283.293 3.430 20 30 CGEDMO CC(=O)Nc1cc(Nc2c(C)cc(C#N)cc2C)cc[nH+]1 ZINC001215645715 815550721 /nfs/dbraw/zinc/55/07/21/815550721.db2.gz UGZVJCYXIYWCTB-UHFFFAOYSA-N 1 1 280.331 3.272 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2cccc(OC(F)F)c2)CC1 ZINC001204843366 812752745 /nfs/dbraw/zinc/75/27/45/812752745.db2.gz VYZMBBHPJFNFEZ-GFCCVEGCSA-N 1 1 280.318 3.414 20 30 CGEDMO C[C@H]1CCN(Cc2ccc(Cl)cc2C#N)CC[C@H]1C[NH3+] ZINC001205638987 813037959 /nfs/dbraw/zinc/03/79/59/813037959.db2.gz UGSGTQXHZPBTIO-STQMWFEESA-N 1 1 291.826 3.018 20 30 CGEDMO N#CCCCO[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC001205647521 813039540 /nfs/dbraw/zinc/03/95/40/813039540.db2.gz DXZOJFVVKCHPTN-FGTMMUONSA-N 1 1 284.403 3.217 20 30 CGEDMO N#CCCCO[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC001205648962 813039581 /nfs/dbraw/zinc/03/95/81/813039581.db2.gz QERILTMTPXMSAE-HNNXBMFYSA-N 1 1 276.355 3.110 20 30 CGEDMO N#CCCCO[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC001205648982 813039758 /nfs/dbraw/zinc/03/97/58/813039758.db2.gz QERILTMTPXMSAE-OAHLLOKOSA-N 1 1 276.355 3.110 20 30 CGEDMO C=CC[C@H]([NH2+][C@@H](CC)C[C@@H](C)CC)C(=O)OCC ZINC001205659049 813043992 /nfs/dbraw/zinc/04/39/92/813043992.db2.gz ASKYXQRGJPWDAE-IHRRRGAJSA-N 1 1 255.402 3.299 20 30 CGEDMO C=CC[C@@H]([NH2+]CC1CCC(C)(C)CC1)C(=O)OCC ZINC001205659046 813044658 /nfs/dbraw/zinc/04/46/58/813044658.db2.gz AOUIFYXXAZTVLD-CQSZACIVSA-N 1 1 267.413 3.300 20 30 CGEDMO C=CC[C@@H]([NH2+]CCC1CCCCCC1)C(=O)OCC ZINC001205661591 813045409 /nfs/dbraw/zinc/04/54/09/813045409.db2.gz XJMWZSHFPJKWCB-OAHLLOKOSA-N 1 1 267.413 3.444 20 30 CGEDMO C[C@H](c1ccccn1)[N@H+]1CCC[C@@H](OCCCCC#N)C1 ZINC001205672102 813049985 /nfs/dbraw/zinc/04/99/85/813049985.db2.gz HWGNXQUEOOSMKM-HZPDHXFCSA-N 1 1 287.407 3.317 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[N@H+](C/C=C\c2ccccc2)C[C@H]1C ZINC001206491055 813334621 /nfs/dbraw/zinc/33/46/21/813334621.db2.gz XSCAAMQUWVDXLP-FFHQTSAVSA-N 1 1 298.430 3.103 20 30 CGEDMO C=C(C)CO[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC001206750550 813419848 /nfs/dbraw/zinc/41/98/48/813419848.db2.gz KCHFCAZXFXNTIE-KZNAEPCWSA-N 1 1 271.404 3.490 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)/C=C\C2CC2)C1 ZINC001206766225 813429110 /nfs/dbraw/zinc/42/91/10/813429110.db2.gz JJHDJRZUMNKJCH-LMFNXRSWSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)COc1ccccc1CN1C[C@H](C[NH3+])CC[C@@H]1C ZINC001206768726 813430419 /nfs/dbraw/zinc/43/04/19/813430419.db2.gz LVGAXQRGZJMZAT-HOTGVXAUSA-N 1 1 288.435 3.201 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C=C(CC)CC)C1 ZINC001206874024 813457613 /nfs/dbraw/zinc/45/76/13/813457613.db2.gz AOTLOQZZNGDJNL-GDBMZVCRSA-N 1 1 278.440 3.136 20 30 CGEDMO Cn1cc(C[N@@H+](C)CCc2cccc(Cl)c2)cc1C#N ZINC001207106372 813487756 /nfs/dbraw/zinc/48/77/56/813487756.db2.gz KDTIZIBXVAIGLV-UHFFFAOYSA-N 1 1 287.794 3.225 20 30 CGEDMO C=CCN(CC[N@H+](C)C(C)(C)C)C(=O)OC(C)(C)C ZINC001207206655 813516121 /nfs/dbraw/zinc/51/61/21/813516121.db2.gz XLDJJDVVCUCUMC-UHFFFAOYSA-N 1 1 270.417 3.140 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C(CC)CC)C1 ZINC001207784745 813649360 /nfs/dbraw/zinc/64/93/60/813649360.db2.gz SVDDZHGTONVWMA-BFYDXBDKSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCCCCCCCC[N@H+]1CCn2cnnc2C1 ZINC001207896318 813667930 /nfs/dbraw/zinc/66/79/30/813667930.db2.gz MOQCCCPNSJZLDU-UHFFFAOYSA-N 1 1 276.428 3.401 20 30 CGEDMO C=C(C)[C@@H]1CC=C(CN2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC001208176320 813727303 /nfs/dbraw/zinc/72/73/03/813727303.db2.gz DZUDBPSGBVGUAT-SJORKVTESA-N 1 1 260.425 3.069 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@H]3[C@H](C(=O)OCC)[C@H]3C2)CC1 ZINC001208176427 813727847 /nfs/dbraw/zinc/72/78/47/813727847.db2.gz CWYLAGHVUHBJJZ-NCOADZHNSA-N 1 1 289.419 3.030 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@H](c3nc(C)no3)C2)CC1 ZINC001208177853 813728494 /nfs/dbraw/zinc/72/84/94/813728494.db2.gz IBTLUNBBEVGAAQ-CVEARBPZSA-N 1 1 287.407 3.470 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+](CCC(=O)OC)C2CC2)CC1 ZINC001208178763 813729726 /nfs/dbraw/zinc/72/97/26/813729726.db2.gz WQXGPKYYOLUSJQ-OAHLLOKOSA-N 1 1 277.408 3.317 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCOC[C@@H]2C2CC2)CC1 ZINC001208178577 813729738 /nfs/dbraw/zinc/72/97/38/813729738.db2.gz RUZADXRDNSQVIQ-NVXWUHKLSA-N 1 1 261.409 3.400 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCc3c(cc[nH]c3=O)C2)CC1 ZINC001208179043 813730991 /nfs/dbraw/zinc/73/09/91/813730991.db2.gz ZZQCZZOVRDJQNS-OAHLLOKOSA-N 1 1 284.403 3.448 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CC/C=C\CC)C[C@H]1C ZINC001208511842 813764906 /nfs/dbraw/zinc/76/49/06/813764906.db2.gz LTBYOWFAVGWGMI-SKFKZRJJSA-N 1 1 292.467 3.382 20 30 CGEDMO CN1CCC[C@@H](C[NH+]2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001208619884 813777661 /nfs/dbraw/zinc/77/76/61/813777661.db2.gz ZBFIHQSHVVVEOT-QGZVFWFLSA-N 1 1 297.446 3.079 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](CCC1CC1)[C@H]2CC ZINC001208681241 813793444 /nfs/dbraw/zinc/79/34/44/813793444.db2.gz QSOYJKVSPQXBTC-WMZOPIPTSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCN1C(=O)CC[C@@]12CCC[N@H+](CCCC(C)C)CC2 ZINC001208732175 813820962 /nfs/dbraw/zinc/82/09/62/813820962.db2.gz BLCSTBZQXFFWOL-GOSISDBHSA-N 1 1 292.467 3.456 20 30 CGEDMO N#Cc1cccc(CCC[N@@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)c1 ZINC001208846103 813863246 /nfs/dbraw/zinc/86/32/46/813863246.db2.gz WXAZMEDRNDIIRB-ROUUACIJSA-N 1 1 296.414 3.324 20 30 CGEDMO COCC[C@@H]1CCCC[N@H+]1CCCc1ccc(C#N)cc1 ZINC001208857462 813868462 /nfs/dbraw/zinc/86/84/62/813868462.db2.gz FNTNPGLOZOTYNV-SFHVURJKSA-N 1 1 286.419 3.382 20 30 CGEDMO C[N@@H+]1CC=C(Nc2c(C#N)cccc2C(F)(F)F)CC1 ZINC001208856782 813868793 /nfs/dbraw/zinc/86/87/93/813868793.db2.gz JHEICRGMMBNSRU-UHFFFAOYSA-N 1 1 281.281 3.208 20 30 CGEDMO N#Cc1ccc(CCC[N@@H+]2CC[C@H](N3CCCCC3)C2)cc1 ZINC001208858905 813870668 /nfs/dbraw/zinc/87/06/68/813870668.db2.gz QFCLQQUQEVOBBB-IBGZPJMESA-N 1 1 297.446 3.051 20 30 CGEDMO N#Cc1ccc(CCC[N@H+]2CC[C@H](N3CCCCC3)C2)cc1 ZINC001208858905 813870680 /nfs/dbraw/zinc/87/06/80/813870680.db2.gz QFCLQQUQEVOBBB-IBGZPJMESA-N 1 1 297.446 3.051 20 30 CGEDMO C[C@H](C[N@H+]1CCc2cc(C#N)ccc2C1)C(F)(F)F ZINC001208896845 813885844 /nfs/dbraw/zinc/88/58/44/813885844.db2.gz XNKCADCQMKUFLR-SNVBAGLBSA-N 1 1 268.282 3.115 20 30 CGEDMO CCN(CCC#N)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001208934672 813902785 /nfs/dbraw/zinc/90/27/85/813902785.db2.gz FSYYWAGGAOZGKO-SFHVURJKSA-N 1 1 285.435 3.134 20 30 CGEDMO C#CC1CC[NH+](C[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001208946752 813907402 /nfs/dbraw/zinc/90/74/02/813907402.db2.gz WQBYJXCHCASLJP-HXUWFJFHSA-N 1 1 296.458 3.244 20 30 CGEDMO N#CCC1CC[NH+](C[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001208951089 813907439 /nfs/dbraw/zinc/90/74/39/813907439.db2.gz YLOQEPBLUUMWQY-LJQANCHMSA-N 1 1 297.446 3.134 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](CCCCCF)C[C@H]1C ZINC001208954916 813910301 /nfs/dbraw/zinc/91/03/01/813910301.db2.gz URUGRXWNTLKJAG-HUUCEWRRSA-N 1 1 298.446 3.165 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C(C)C)C1 ZINC001209088845 813931599 /nfs/dbraw/zinc/93/15/99/813931599.db2.gz HLBDROMCQUOOBR-IXDOHACOSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](Oc2ccccc2OC)C1 ZINC001209161123 813951572 /nfs/dbraw/zinc/95/15/72/813951572.db2.gz HPDZXBLQZUSRBA-CQSZACIVSA-N 1 1 261.365 3.115 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](c2nc(CCC)no2)C1 ZINC001209161651 813953278 /nfs/dbraw/zinc/95/32/78/813953278.db2.gz AUSPNOMEIHGMDT-ZDUSSCGKSA-N 1 1 263.385 3.168 20 30 CGEDMO N#CCC[N@@H+](CCCc1cccnc1)C1CCCC1 ZINC001209176725 813957024 /nfs/dbraw/zinc/95/70/24/813957024.db2.gz MXYCAOLQMSCOAR-UHFFFAOYSA-N 1 1 257.381 3.172 20 30 CGEDMO N#CCC[N@H+](CCCc1cccnc1)Cc1ccccc1 ZINC001209176892 813957176 /nfs/dbraw/zinc/95/71/76/813957176.db2.gz KZBKWPBHHZVPQI-UHFFFAOYSA-N 1 1 279.387 3.430 20 30 CGEDMO N#CCC[N@@H+](CCCc1cccnc1)Cc1ccccc1 ZINC001209176892 813957182 /nfs/dbraw/zinc/95/71/82/813957182.db2.gz KZBKWPBHHZVPQI-UHFFFAOYSA-N 1 1 279.387 3.430 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@]2(C[C@H](CCOC)CO2)C1 ZINC001209203597 813966564 /nfs/dbraw/zinc/96/65/64/813966564.db2.gz PXJMIOXGZVQFLJ-IRXDYDNUSA-N 1 1 281.440 3.250 20 30 CGEDMO C=CCCCC[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001209204341 813967242 /nfs/dbraw/zinc/96/72/42/813967242.db2.gz CJCJAICDJPONEF-AWEZNQCLSA-N 1 1 282.428 3.284 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@@H](Oc2ccc(C)cc2)C1 ZINC001209266412 813987260 /nfs/dbraw/zinc/98/72/60/813987260.db2.gz YRPLURVQRDPANE-QGZVFWFLSA-N 1 1 257.377 3.252 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@@H](c2cccc(OC)c2)C1 ZINC001209267540 813988911 /nfs/dbraw/zinc/98/89/11/813988911.db2.gz IUPHIEHKPMDDJL-MRXNPFEDSA-N 1 1 257.377 3.288 20 30 CGEDMO C#CCCC[N@@H+]1CCCC[C@H]1c1ccc(C(=O)OC)cc1 ZINC001209269656 813988984 /nfs/dbraw/zinc/98/89/84/813988984.db2.gz YSVRBDOVQJWKMA-KRWDZBQOSA-N 1 1 285.387 3.414 20 30 CGEDMO C#CCCC[N@H+]1CC[C@@]2(CCCN2Cc2ccccc2)C1 ZINC001209270290 813989266 /nfs/dbraw/zinc/98/92/66/813989266.db2.gz YEZKYTIYNJUPMB-IBGZPJMESA-N 1 1 282.431 3.140 20 30 CGEDMO C#CCCCN1CC[C@@]2(CCC[N@@H+]2Cc2ccccc2)C1 ZINC001209270290 813989270 /nfs/dbraw/zinc/98/92/70/813989270.db2.gz YEZKYTIYNJUPMB-IBGZPJMESA-N 1 1 282.431 3.140 20 30 CGEDMO C#CCCCN1CC[C@@]2(CCC[N@H+]2Cc2ccccc2)C1 ZINC001209270290 813989274 /nfs/dbraw/zinc/98/92/74/813989274.db2.gz YEZKYTIYNJUPMB-IBGZPJMESA-N 1 1 282.431 3.140 20 30 CGEDMO C[C@@H]1CC(C[N@H+]2CCc3ccc(C#N)cc3C2)C[C@@H](C)O1 ZINC001209385639 814008751 /nfs/dbraw/zinc/00/87/51/814008751.db2.gz YALVBYNZCSICEP-ZIAGYGMSSA-N 1 1 284.403 3.120 20 30 CGEDMO COC1CCC(C[N@@H+](CCC#N)C2CCCC2)CC1 ZINC001209393056 814011769 /nfs/dbraw/zinc/01/17/69/814011769.db2.gz BXFBAFGVPFPTPE-UHFFFAOYSA-N 1 1 264.413 3.350 20 30 CGEDMO C[C@@H]1C[C@H]1C[N@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001209422241 814024527 /nfs/dbraw/zinc/02/45/27/814024527.db2.gz UNOYDIPYIDXEGL-KMFMINBZSA-N 1 1 270.376 3.057 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H]2C(=O)Nc3ccccc3[C@H]2C1 ZINC001209423455 814025890 /nfs/dbraw/zinc/02/58/90/814025890.db2.gz RHOUWZFOZUVRFN-CVEARBPZSA-N 1 1 284.403 3.401 20 30 CGEDMO C=CCCCCC[N@H+]1Cc2cn(C)nc2[C@H](COCC)C1 ZINC001209423328 814026935 /nfs/dbraw/zinc/02/69/35/814026935.db2.gz SJMHIXRYMLZSHQ-INIZCTEOSA-N 1 1 291.439 3.102 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](Oc2cc(C)ncn2)C1 ZINC001209432376 814033898 /nfs/dbraw/zinc/03/38/98/814033898.db2.gz CZJSFXIGBDIBSB-INIZCTEOSA-N 1 1 289.423 3.375 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](C(=O)OCCCC)C1 ZINC001209432274 814034099 /nfs/dbraw/zinc/03/40/99/814034099.db2.gz BZUKBVMVDAXZKG-OAHLLOKOSA-N 1 1 267.413 3.398 20 30 CGEDMO C=CCCCCCC[N@@H+]1CCn2c(nnc2C(C)C)C1 ZINC001209435808 814036451 /nfs/dbraw/zinc/03/64/51/814036451.db2.gz JTIMZFPAKZAZSD-UHFFFAOYSA-N 1 1 276.428 3.354 20 30 CGEDMO C=CCCCCCC[N@H+]1CCn2c(nnc2C(C)C)C1 ZINC001209435808 814036455 /nfs/dbraw/zinc/03/64/55/814036455.db2.gz JTIMZFPAKZAZSD-UHFFFAOYSA-N 1 1 276.428 3.354 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CCN(C(C)=O)C[C@@H]1C ZINC001209442077 814041172 /nfs/dbraw/zinc/04/11/72/814041172.db2.gz OFWUHRVNQJITGB-HNNXBMFYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCCCCCC[N@@H+]1CCC[C@H](NC(=O)NC(C)C)C1 ZINC001209440886 814041774 /nfs/dbraw/zinc/04/17/74/814041774.db2.gz RALCGRDOTKFKBL-INIZCTEOSA-N 1 1 295.471 3.295 20 30 CGEDMO C=CCCCCCCCN1CC[NH+](CCC(C)(C)O)CC1 ZINC001209442914 814042844 /nfs/dbraw/zinc/04/28/44/814042844.db2.gz ZMGLDPNLYCYTPS-UHFFFAOYSA-N 1 1 296.499 3.292 20 30 CGEDMO Cc1ccc2[nH]cc(C[N@@H+]3CC[C@](C)(C#N)C3)c2c1 ZINC001209500345 814064621 /nfs/dbraw/zinc/06/46/21/814064621.db2.gz VIKIMOABCFTULT-MRXNPFEDSA-N 1 1 253.349 3.212 20 30 CGEDMO Cc1ccc2[nH]cc(C[N@H+]3CC[C@](C)(C#N)C3)c2c1 ZINC001209500345 814064624 /nfs/dbraw/zinc/06/46/24/814064624.db2.gz VIKIMOABCFTULT-MRXNPFEDSA-N 1 1 253.349 3.212 20 30 CGEDMO C=CC[N@@H+](Cc1cc2c(cn1)OCCC2)C(C)(C)C ZINC001209505444 814067221 /nfs/dbraw/zinc/06/72/21/814067221.db2.gz BITZOQUUCQKQKB-UHFFFAOYSA-N 1 1 260.381 3.193 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1c[nH]c2ncc(Cl)cc12 ZINC001209597226 814096094 /nfs/dbraw/zinc/09/60/94/814096094.db2.gz NESVJZNMEPDXKA-UHFFFAOYSA-N 1 1 276.771 3.342 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1c[nH]c2ncc(Cl)cc12 ZINC001209597226 814096099 /nfs/dbraw/zinc/09/60/99/814096099.db2.gz NESVJZNMEPDXKA-UHFFFAOYSA-N 1 1 276.771 3.342 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(CC)(CC)CC)C1 ZINC001209776638 814137761 /nfs/dbraw/zinc/13/77/61/814137761.db2.gz PFGMMTSZCZDTLO-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)CCC)C1 ZINC001209800198 814146044 /nfs/dbraw/zinc/14/60/44/814146044.db2.gz QXVBSTVBALQSHY-OWCLPIDISA-N 1 1 280.456 3.215 20 30 CGEDMO N#Cc1ncc(Cl)cc1Nc1ccc2[nH]c[nH+]c2c1 ZINC001209848874 814167709 /nfs/dbraw/zinc/16/77/09/814167709.db2.gz SPHDOPHRRXRSMP-UHFFFAOYSA-N 1 1 269.695 3.227 20 30 CGEDMO N#Cc1ccc(Nc2ccc3[nH]c[nH+]c3c2)c(C#N)c1 ZINC001209850712 814170641 /nfs/dbraw/zinc/17/06/41/814170641.db2.gz LWYULACPLMZDNP-UHFFFAOYSA-N 1 1 259.272 3.050 20 30 CGEDMO CCCCCCCCCC[N@H+]1CCN[C@@H](COC)C1 ZINC001210028800 814253216 /nfs/dbraw/zinc/25/32/16/814253216.db2.gz PKXJPVVBLNORNU-MRXNPFEDSA-N 1 1 270.461 3.047 20 30 CGEDMO CCCCCCCCCCN1CC[NH2+][C@@H](COC)C1 ZINC001210028800 814253223 /nfs/dbraw/zinc/25/32/23/814253223.db2.gz PKXJPVVBLNORNU-MRXNPFEDSA-N 1 1 270.461 3.047 20 30 CGEDMO C[C@@H]1CC(=O)C=C(c2ccc(C[N@H+](C)C3CC3)cn2)C1 ZINC001242738586 823116769 /nfs/dbraw/zinc/11/67/69/823116769.db2.gz VZFUWWILEFPEIB-LBPRGKRZSA-N 1 1 270.376 3.058 20 30 CGEDMO C[C@@H]1CC(=O)C=C(c2ccc(C[N@@H+](C)C3CC3)cn2)C1 ZINC001242738586 823116770 /nfs/dbraw/zinc/11/67/70/823116770.db2.gz VZFUWWILEFPEIB-LBPRGKRZSA-N 1 1 270.376 3.058 20 30 CGEDMO N#Cc1cc(N)c(Nc2cccc3cc[nH+]cc32)cc1C#N ZINC001210230900 814355497 /nfs/dbraw/zinc/35/54/97/814355497.db2.gz HTLMBSCVQXRKPC-UHFFFAOYSA-N 1 1 285.310 3.304 20 30 CGEDMO C[N@H+]1CCc2ncc(Nc3cc(Cl)cc(C#N)c3)cc2C1 ZINC001210536814 814513611 /nfs/dbraw/zinc/51/36/11/814513611.db2.gz QCKVZYACJBCYEP-UHFFFAOYSA-N 1 1 298.777 3.338 20 30 CGEDMO C#Cc1cccnc1N=C1CCC([NH+]2CCCC2)CC1 ZINC001210703805 814588413 /nfs/dbraw/zinc/58/84/13/814588413.db2.gz FFBMTCULBHUVGR-MRXNPFEDSA-N 1 1 267.376 3.007 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CCC)CC(C)C)C1 ZINC001211406030 814888841 /nfs/dbraw/zinc/88/88/41/814888841.db2.gz IKPIMHMKAHWREE-BRWVUGGUSA-N 1 1 294.483 3.461 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nnc([C@@H]2C[C@H]2c2ccc(C)cc2)o1 ZINC001217757615 815954764 /nfs/dbraw/zinc/95/47/64/815954764.db2.gz PLPHGSFRQQXHSQ-XHSDSOJGSA-N 1 1 295.386 3.452 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nnc(-c2cccc(Cl)c2)o1 ZINC001217756942 815955523 /nfs/dbraw/zinc/95/55/23/815955523.db2.gz BGJYLLKZOZTTHK-LBPRGKRZSA-N 1 1 275.739 3.193 20 30 CGEDMO C=C[C@H](CCCCC)Oc1ccc(C(=O)C[NH3+])cc1 ZINC001218211687 816129348 /nfs/dbraw/zinc/12/93/48/816129348.db2.gz BAIILQVIHBQQHI-CQSZACIVSA-N 1 1 261.365 3.342 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C3CCCC3)[C@@H]2C1 ZINC001221217132 816306382 /nfs/dbraw/zinc/30/63/82/816306382.db2.gz AFRCDSNJFCYTEX-DJIMGWMZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCCC)[C@@H]2C1 ZINC001221281070 816309546 /nfs/dbraw/zinc/30/95/46/816309546.db2.gz PWVJUEKEUPFFCG-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C3(C)CCCC3)[C@@H]2C1 ZINC001221720761 816323371 /nfs/dbraw/zinc/32/33/71/816323371.db2.gz CSQKXPCQZQLIIQ-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3(CCCC)CC3)[C@@H]2C1 ZINC001221796810 816329004 /nfs/dbraw/zinc/32/90/04/816329004.db2.gz WAOPRKWGDGVWHX-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)CC3(C)CC3)C[C@@H]21 ZINC001223145466 816577735 /nfs/dbraw/zinc/57/77/35/816577735.db2.gz JTLFRZCONDNVIU-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]2CC[N@H+](C/C=C\Cl)[C@H]2C1 ZINC001223406017 816623790 /nfs/dbraw/zinc/62/37/90/816623790.db2.gz LAVHLABCLAWCFR-KDQWWBNRSA-N 1 1 296.842 3.018 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CC[C@@H](OCc2cccs2)C1 ZINC001223865890 816694069 /nfs/dbraw/zinc/69/40/69/816694069.db2.gz WELUTETXZFBIRX-MRXNPFEDSA-N 1 1 298.411 3.411 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CC[C@@H](OCc2cccs2)C1 ZINC001223865890 816694072 /nfs/dbraw/zinc/69/40/72/816694072.db2.gz WELUTETXZFBIRX-MRXNPFEDSA-N 1 1 298.411 3.411 20 30 CGEDMO C=CCCCO[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001224511122 816816537 /nfs/dbraw/zinc/81/65/37/816816537.db2.gz JQLKAYYGMYHWSP-QGZVFWFLSA-N 1 1 270.376 3.115 20 30 CGEDMO C[C@@H](c1ccccn1)[N@H+]1CC[C@@H](OCCCCCC#N)C1 ZINC001224690154 816854209 /nfs/dbraw/zinc/85/42/09/816854209.db2.gz PHNRIDMZDASPCH-JKSUJKDBSA-N 1 1 287.407 3.317 20 30 CGEDMO C[N@H+]1CCCC[C@@H]1CO[C@H](CC#N)c1ccccc1 ZINC001224704692 816860570 /nfs/dbraw/zinc/86/05/70/816860570.db2.gz CCSOQUCQQQFXCL-HZPDHXFCSA-N 1 1 258.365 3.142 20 30 CGEDMO C=C(CO[C@@H]1[C@@H]2CCC[C@H]1C[N@H+](C)C2)c1ccccc1 ZINC001224739918 816869885 /nfs/dbraw/zinc/86/98/85/816869885.db2.gz VRAKSENKONAOIV-BCDXTJNWSA-N 1 1 271.404 3.447 20 30 CGEDMO C#C[C@H](CC)OC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001224830150 816892034 /nfs/dbraw/zinc/89/20/34/816892034.db2.gz MOVAEZZNUFPPLS-ZWKOTPCHSA-N 1 1 271.404 3.327 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1OCC#CC1CC1 ZINC001224845047 816893295 /nfs/dbraw/zinc/89/32/95/816893295.db2.gz VDGKMSDTXYTQSQ-VQIMIIECSA-N 1 1 283.415 3.327 20 30 CGEDMO C=C[C@H](Oc1cccnc1C[NH+](C)C)c1ccccc1 ZINC001225282238 816993818 /nfs/dbraw/zinc/99/38/18/816993818.db2.gz QCEINKMQWOPECT-INIZCTEOSA-N 1 1 268.360 3.449 20 30 CGEDMO C=C(C)C[C@H](Oc1cccnc1C[NH+](C)C)C(=C)C ZINC001225282686 816994175 /nfs/dbraw/zinc/99/41/75/816994175.db2.gz WBASENAHVHDWIA-INIZCTEOSA-N 1 1 260.381 3.433 20 30 CGEDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1cc(Cl)cc(C#N)c1 ZINC001225700486 817148313 /nfs/dbraw/zinc/14/83/13/817148313.db2.gz WDQZMTRIZFCLQB-VIKVFOODSA-N 1 1 290.794 3.321 20 30 CGEDMO CC[N@H+]1CC[C@H](Oc2ccc3cc(C#N)ccc3c2)C1 ZINC001226812912 817472286 /nfs/dbraw/zinc/47/22/86/817472286.db2.gz GVWJXQUXOMGTJP-KRWDZBQOSA-N 1 1 266.344 3.184 20 30 CGEDMO Cc1cc(O[C@H]2CCC[N@H+](C(C)C)C2)cc(C)c1C#N ZINC001226833875 817479742 /nfs/dbraw/zinc/47/97/42/817479742.db2.gz OOQQPYATVHLMCC-HNNXBMFYSA-N 1 1 272.392 3.427 20 30 CGEDMO C[N@H+]1CCC[C@H](Oc2ccc(C#N)c(Cl)c2)CC1 ZINC001227204488 817590859 /nfs/dbraw/zinc/59/08/59/817590859.db2.gz MPTYQWSSVCZPQB-LBPRGKRZSA-N 1 1 264.756 3.075 20 30 CGEDMO CC[N@H+]1CCC[C@H](Oc2cccc(Cl)c2C#N)C1 ZINC001227787817 817720150 /nfs/dbraw/zinc/72/01/50/817720150.db2.gz LJLUVLJTOHXYBI-NSHDSACASA-N 1 1 264.756 3.075 20 30 CGEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cccc3nc(C#N)ccc31)C2 ZINC001227802660 817724426 /nfs/dbraw/zinc/72/44/26/817724426.db2.gz YMDHWCSYYJOGNZ-QDMKHBRRSA-N 1 1 293.370 3.110 20 30 CGEDMO Cc1ccc(C(C)C)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@H+]3C)c1 ZINC001227943883 817759964 /nfs/dbraw/zinc/75/99/64/817759964.db2.gz OMGMUKLVBBAWAK-YPDBZUBKSA-N 1 1 287.403 3.110 20 30 CGEDMO Cc1ccc(C(C)C)c(O[C@@H]2C[C@@H]3[C@H]4O[C@H]4[C@H](C2)[N@@H+]3C)c1 ZINC001227943883 817759968 /nfs/dbraw/zinc/75/99/68/817759968.db2.gz OMGMUKLVBBAWAK-YPDBZUBKSA-N 1 1 287.403 3.110 20 30 CGEDMO C=CC[C@@H](C=C)Oc1cc2c(cc1OC)CC[NH+]=C2 ZINC001228092645 817810212 /nfs/dbraw/zinc/81/02/12/817810212.db2.gz SLZRSCXWPNYAKZ-CQSZACIVSA-N 1 1 257.333 3.180 20 30 CGEDMO Cc1cc(OC2C[NH+](C(C)(C)C)C2)c(C)cc1C#N ZINC001228147266 817823941 /nfs/dbraw/zinc/82/39/41/817823941.db2.gz LJNVMTNXVARDHP-UHFFFAOYSA-N 1 1 258.365 3.037 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)/C=C\C(C)(C)C ZINC001231253588 818064293 /nfs/dbraw/zinc/06/42/93/818064293.db2.gz AHPYDASNTDFFEE-ZHUYAKLQSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCC[N@@H+](C)CCCNC(=O)c1ccc(C)s1 ZINC001231300982 818072653 /nfs/dbraw/zinc/07/26/53/818072653.db2.gz JAEXXSLJVIMQEJ-UHFFFAOYSA-N 1 1 280.437 3.074 20 30 CGEDMO COc1cc(F)ccc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC001231607849 818137122 /nfs/dbraw/zinc/13/71/22/818137122.db2.gz IMNGSAYUYPBCGY-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO COc1cc(F)ccc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC001231607849 818137125 /nfs/dbraw/zinc/13/71/25/818137125.db2.gz IMNGSAYUYPBCGY-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CCC[C@H]2c2ccccn2)c1 ZINC001231658976 818150036 /nfs/dbraw/zinc/15/00/36/818150036.db2.gz CCZNEBHHCAJUTM-SFHVURJKSA-N 1 1 262.356 3.400 20 30 CGEDMO C#Cc1cccc(CN2CC[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC001231657232 818150635 /nfs/dbraw/zinc/15/06/35/818150635.db2.gz ZHVMZXXFWFDJDF-FQEVSTJZSA-N 1 1 290.410 3.157 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CCN(C)C[C@H]2c2ccccc2)c1 ZINC001231657232 818150638 /nfs/dbraw/zinc/15/06/38/818150638.db2.gz ZHVMZXXFWFDJDF-FQEVSTJZSA-N 1 1 290.410 3.157 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CCN(C)C[C@H]2c2ccccc2)c1 ZINC001231657232 818150642 /nfs/dbraw/zinc/15/06/42/818150642.db2.gz ZHVMZXXFWFDJDF-FQEVSTJZSA-N 1 1 290.410 3.157 20 30 CGEDMO C=CC[N@@H+](C)Cc1cnc(-c2ccccc2)nc1C ZINC001231799191 818178126 /nfs/dbraw/zinc/17/81/26/818178126.db2.gz KYHWULUWIREDAK-UHFFFAOYSA-N 1 1 253.349 3.070 20 30 CGEDMO C=CC[N@H+](C)Cc1cnc(-c2ccccc2)nc1C ZINC001231799191 818178128 /nfs/dbraw/zinc/17/81/28/818178128.db2.gz KYHWULUWIREDAK-UHFFFAOYSA-N 1 1 253.349 3.070 20 30 CGEDMO CCC[N@@H+](CCOC)Cc1ccc(C#N)c(Cl)c1 ZINC001232110766 818257910 /nfs/dbraw/zinc/25/79/10/818257910.db2.gz UUVOJMTWZLHMEC-UHFFFAOYSA-N 1 1 266.772 3.070 20 30 CGEDMO CCCO[C@@H]1CC[N@H+](Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232117771 818259874 /nfs/dbraw/zinc/25/98/74/818259874.db2.gz DOZQHFIQPNMIHB-CQSZACIVSA-N 1 1 278.783 3.213 20 30 CGEDMO CCCO[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232117771 818259876 /nfs/dbraw/zinc/25/98/76/818259876.db2.gz DOZQHFIQPNMIHB-CQSZACIVSA-N 1 1 278.783 3.213 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCc3cccc(O)c3C2)cc1Cl ZINC001232116109 818260324 /nfs/dbraw/zinc/26/03/24/818260324.db2.gz GZCJWMAAVYZGIE-UHFFFAOYSA-N 1 1 298.773 3.476 20 30 CGEDMO CCN1CCC([N@@H+](C)Cc2ccc(C#N)c(Cl)c2)CC1 ZINC001232115463 818260597 /nfs/dbraw/zinc/26/05/97/818260597.db2.gz PYMJDJGMJPGBHC-UHFFFAOYSA-N 1 1 291.826 3.128 20 30 CGEDMO CCO[C@@H]1CCC[N@H+](Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232119571 818260543 /nfs/dbraw/zinc/26/05/43/818260543.db2.gz GPVHJKDNJVCBAW-CQSZACIVSA-N 1 1 278.783 3.213 20 30 CGEDMO CCO[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232119571 818260551 /nfs/dbraw/zinc/26/05/51/818260551.db2.gz GPVHJKDNJVCBAW-CQSZACIVSA-N 1 1 278.783 3.213 20 30 CGEDMO CCN1CCC([N@H+](C)Cc2ccc(C#N)c(Cl)c2)CC1 ZINC001232115463 818260590 /nfs/dbraw/zinc/26/05/90/818260590.db2.gz PYMJDJGMJPGBHC-UHFFFAOYSA-N 1 1 291.826 3.128 20 30 CGEDMO N#CCC1CC[NH+](Cc2ccnc(C(F)(F)F)c2)CC1 ZINC001232241206 818290871 /nfs/dbraw/zinc/29/08/71/818290871.db2.gz JLZDWNOTZIAFPP-UHFFFAOYSA-N 1 1 283.297 3.226 20 30 CGEDMO COCc1ccc(C[N@H+]2CCc3cc(C#N)ccc3C2)cc1 ZINC001232298902 818306990 /nfs/dbraw/zinc/30/69/90/818306990.db2.gz WBRQWLXMVIHZJV-UHFFFAOYSA-N 1 1 292.382 3.263 20 30 CGEDMO CSc1cc(C)c(C[NH+]2CCC(C)(C#N)CC2)cn1 ZINC001232348601 818326623 /nfs/dbraw/zinc/32/66/23/818326623.db2.gz RZKPPCZPBALUGC-UHFFFAOYSA-N 1 1 275.421 3.238 20 30 CGEDMO C=CCC[N@@H+](Cc1[nH]nc2c1CCC2)Cc1ccccc1 ZINC001232426979 818348187 /nfs/dbraw/zinc/34/81/87/818348187.db2.gz QCMSILXVRYHUMF-UHFFFAOYSA-N 1 1 281.403 3.477 20 30 CGEDMO C=CC[N@H+](Cc1[nH]nc2c1CCC2)Cc1ccccc1 ZINC001232429383 818348588 /nfs/dbraw/zinc/34/85/88/818348588.db2.gz NKPFKPMONLLDEO-UHFFFAOYSA-N 1 1 267.376 3.087 20 30 CGEDMO C=CC[N@@H+](Cc1[nH]nc2c1CCC2)Cc1ccccc1 ZINC001232429383 818348597 /nfs/dbraw/zinc/34/85/97/818348597.db2.gz NKPFKPMONLLDEO-UHFFFAOYSA-N 1 1 267.376 3.087 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)o2)C1 ZINC001232445627 818353065 /nfs/dbraw/zinc/35/30/65/818353065.db2.gz TVEZSHPCCQZANT-SNVBAGLBSA-N 1 1 257.255 3.144 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)o2)C1 ZINC001232445627 818353071 /nfs/dbraw/zinc/35/30/71/818353071.db2.gz TVEZSHPCCQZANT-SNVBAGLBSA-N 1 1 257.255 3.144 20 30 CGEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1cc(C#N)ccn1 ZINC001232480048 818364619 /nfs/dbraw/zinc/36/46/19/818364619.db2.gz GWRJGPZYKKRQRX-CQSZACIVSA-N 1 1 295.386 3.025 20 30 CGEDMO CC[N@@H+](Cc1ccc(C)cc1)Cc1cc(C#N)ccn1 ZINC001232482571 818366223 /nfs/dbraw/zinc/36/62/23/818366223.db2.gz ZAMQHFDLSYMWAK-UHFFFAOYSA-N 1 1 265.360 3.284 20 30 CGEDMO COC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Cl)cc1C#N ZINC001232609867 818394800 /nfs/dbraw/zinc/39/48/00/818394800.db2.gz XWGFROFZJFNITL-XYPWUTKMSA-N 1 1 290.794 3.353 20 30 CGEDMO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(Cl)cc1C#N ZINC001232609867 818394808 /nfs/dbraw/zinc/39/48/08/818394808.db2.gz XWGFROFZJFNITL-XYPWUTKMSA-N 1 1 290.794 3.353 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)s2)CCC1(F)F ZINC001232844243 818455017 /nfs/dbraw/zinc/45/50/17/818455017.db2.gz KLBUOQNQQWRVEF-UHFFFAOYSA-N 1 1 270.348 3.487 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC001232890547 818466848 /nfs/dbraw/zinc/46/68/48/818466848.db2.gz HVEHEHUHDXBAOC-OAHLLOKOSA-N 1 1 281.334 3.082 20 30 CGEDMO CN(C)c1ccc(C[N@H+](C)Cc2cc(F)ccc2C#N)cc1 ZINC001232894238 818467330 /nfs/dbraw/zinc/46/73/30/818467330.db2.gz QDQQAAGHAVQACS-UHFFFAOYSA-N 1 1 297.377 3.395 20 30 CGEDMO CN(C)c1ccc(C[N@@H+](C)Cc2cc(F)ccc2C#N)cc1 ZINC001232894238 818467334 /nfs/dbraw/zinc/46/73/34/818467334.db2.gz QDQQAAGHAVQACS-UHFFFAOYSA-N 1 1 297.377 3.395 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)c(C#N)c1 ZINC001232965945 818484054 /nfs/dbraw/zinc/48/40/54/818484054.db2.gz BVIVPDBHCSWKIX-CQSZACIVSA-N 1 1 262.303 3.098 20 30 CGEDMO Cc1ccc(C[N@@H+](C)CCc2noc(C(C)C)n2)c(C#N)c1 ZINC001232964272 818484220 /nfs/dbraw/zinc/48/42/20/818484220.db2.gz SWMRAZQSBXLTOC-UHFFFAOYSA-N 1 1 298.390 3.048 20 30 CGEDMO Cc1ccc(C[N@H+](C)CCc2noc(C(C)C)n2)c(C#N)c1 ZINC001232964272 818484224 /nfs/dbraw/zinc/48/42/24/818484224.db2.gz SWMRAZQSBXLTOC-UHFFFAOYSA-N 1 1 298.390 3.048 20 30 CGEDMO COc1cccc([C@H]2CCC[N@H+](Cc3[nH]ccc3C#N)C2)c1 ZINC001233048843 818511520 /nfs/dbraw/zinc/51/15/20/818511520.db2.gz OMEVFBNWPCXCOF-INIZCTEOSA-N 1 1 295.386 3.275 20 30 CGEDMO COc1cccc([C@H]2CCC[N@@H+](Cc3[nH]ccc3C#N)C2)c1 ZINC001233048843 818511526 /nfs/dbraw/zinc/51/15/26/818511526.db2.gz OMEVFBNWPCXCOF-INIZCTEOSA-N 1 1 295.386 3.275 20 30 CGEDMO CC[N@H+](CCN1CCCCC1)Cc1ccc(C#N)cc1C ZINC001233082453 818519230 /nfs/dbraw/zinc/51/92/30/818519230.db2.gz NBKUIJCHJKOHMA-UHFFFAOYSA-N 1 1 285.435 3.175 20 30 CGEDMO CC[N@@H+](CCN1CCCCC1)Cc1ccc(C#N)cc1C ZINC001233082453 818519236 /nfs/dbraw/zinc/51/92/36/818519236.db2.gz NBKUIJCHJKOHMA-UHFFFAOYSA-N 1 1 285.435 3.175 20 30 CGEDMO C#CC1CC[NH+](Cc2cccc(C(F)(F)F)c2O)CC1 ZINC001233419216 818614564 /nfs/dbraw/zinc/61/45/64/818614564.db2.gz NYDNUBKWPLMRCT-UHFFFAOYSA-N 1 1 283.293 3.256 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1oc(C)cc1C ZINC001233491322 818626758 /nfs/dbraw/zinc/62/67/58/818626758.db2.gz WJKOSMSUFLSECE-OAHLLOKOSA-N 1 1 290.407 3.009 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCNC(=O)CC1CCCCC1 ZINC001233647257 818668473 /nfs/dbraw/zinc/66/84/73/818668473.db2.gz CKTVSKKAHZWQMT-UHFFFAOYSA-N 1 1 286.847 3.147 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCNC(=O)CC1CCCCC1 ZINC001233647257 818668477 /nfs/dbraw/zinc/66/84/77/818668477.db2.gz CKTVSKKAHZWQMT-UHFFFAOYSA-N 1 1 286.847 3.147 20 30 CGEDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ccc(Cl)c(C#N)c1 ZINC001233924344 818731825 /nfs/dbraw/zinc/73/18/25/818731825.db2.gz OUUMQMFTGUHFGN-DRXBFXEBSA-N 1 1 290.794 3.321 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC(C)(C)C1CC1 ZINC001234111758 818784078 /nfs/dbraw/zinc/78/40/78/818784078.db2.gz LPTHKLZIJPEHKU-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)C#CC(C)C ZINC001234170026 818797626 /nfs/dbraw/zinc/79/76/26/818797626.db2.gz HLKNNXNXCBBJGV-KRWDZBQOSA-N 1 1 292.467 3.149 20 30 CGEDMO C#C[C@@H](CCCC)Oc1cccc2c1CC[N@@H+](C)C2 ZINC001234424013 818851179 /nfs/dbraw/zinc/85/11/79/818851179.db2.gz MYFOAPYGSLPHFK-HNNXBMFYSA-N 1 1 257.377 3.245 20 30 CGEDMO C=CCC(CC=C)C(=O)N(C)C[C@@H]1CC[N@H+]1CCC(=C)C ZINC001234518898 818871454 /nfs/dbraw/zinc/87/14/54/818871454.db2.gz YDSUMLFWKVDPAE-KRWDZBQOSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CC(C)(C)CC(=O)N(C)C[C@H]1CC[N@@H+]1CCCCC ZINC001234554876 818880786 /nfs/dbraw/zinc/88/07/86/818880786.db2.gz OCTGGNIWCZTXPM-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)CCC[C@H](C)CCC ZINC001234547417 818881322 /nfs/dbraw/zinc/88/13/22/818881322.db2.gz RSVDERCXTDYWBJ-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1cccc(N2CCCC2)c1 ZINC001235091262 819000052 /nfs/dbraw/zinc/00/00/52/819000052.db2.gz CZEIDTCRYGEAQV-UHFFFAOYSA-N 1 1 271.408 3.412 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1cccc(N2CCCC2)c1 ZINC001235091262 819000055 /nfs/dbraw/zinc/00/00/55/819000055.db2.gz CZEIDTCRYGEAQV-UHFFFAOYSA-N 1 1 271.408 3.412 20 30 CGEDMO Cc1cc(OC(C)C)ncc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001235427217 819093931 /nfs/dbraw/zinc/09/39/31/819093931.db2.gz CDHRBCWSISIKOX-OAHLLOKOSA-N 1 1 287.407 3.303 20 30 CGEDMO Cc1cc(OC(C)C)ncc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001235427255 819093966 /nfs/dbraw/zinc/09/39/66/819093966.db2.gz CPUHHPZBBVMMRS-OAHLLOKOSA-N 1 1 287.407 3.303 20 30 CGEDMO COc1cc(C[NH+]2CCC(CC#N)CC2)cc(F)c1F ZINC001235449746 819101596 /nfs/dbraw/zinc/10/15/96/819101596.db2.gz XMVYFNBROKTJLK-UHFFFAOYSA-N 1 1 280.318 3.099 20 30 CGEDMO N#CCc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001235529753 819116259 /nfs/dbraw/zinc/11/62/59/819116259.db2.gz PEGOWHNAAXWWFG-FFGGFLGDSA-N 1 1 265.360 3.019 20 30 CGEDMO C[N@H+](Cc1ccccc1CC#N)CC1CC(F)(F)C1 ZINC001235531066 819116623 /nfs/dbraw/zinc/11/66/23/819116623.db2.gz ZURFLFVYFOFGBT-UHFFFAOYSA-N 1 1 264.319 3.230 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](Cc2ccccc2-c2ccncc2)C1 ZINC001235624538 819128072 /nfs/dbraw/zinc/12/80/72/819128072.db2.gz YPLDNGYJHJHRCK-SFHVURJKSA-N 1 1 277.371 3.484 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCNC(=O)CC1=CCCCC1 ZINC001235765997 819163532 /nfs/dbraw/zinc/16/35/32/819163532.db2.gz DJYKWLARESXVIB-UHFFFAOYSA-N 1 1 284.831 3.068 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCNC(=O)CC1=CCCCC1 ZINC001235765997 819163535 /nfs/dbraw/zinc/16/35/35/819163535.db2.gz DJYKWLARESXVIB-UHFFFAOYSA-N 1 1 284.831 3.068 20 30 CGEDMO CC(C)=CCCC1=CC[C@@H](C[N@@H+]2CCN[C@H](C#N)C2)CC1 ZINC001235911804 819221010 /nfs/dbraw/zinc/22/10/10/819221010.db2.gz AOKGDAGXZXEDTH-QZTJIDSGSA-N 1 1 287.451 3.257 20 30 CGEDMO CC(C)=CCCC1=CC[C@@H](C[N@H+]2CCN[C@H](C#N)C2)CC1 ZINC001235911804 819221016 /nfs/dbraw/zinc/22/10/16/819221016.db2.gz AOKGDAGXZXEDTH-QZTJIDSGSA-N 1 1 287.451 3.257 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)C[C@@H]1[C@@H](C)CNCC1(F)F ZINC001235963094 819251390 /nfs/dbraw/zinc/25/13/90/819251390.db2.gz UFCPOCDUIAGEPV-GOEBONIOSA-N 1 1 294.389 3.165 20 30 CGEDMO CCCCCCCCCC[N@H+]1CC[C@H]2COC[C@@H](C1)N2 ZINC001235995877 819265951 /nfs/dbraw/zinc/26/59/51/819265951.db2.gz QILBRHPOAFXFHC-DLBZAZTESA-N 1 1 282.472 3.190 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCc2cc(N)ccc2C1 ZINC001236107701 819324249 /nfs/dbraw/zinc/32/42/49/819324249.db2.gz AKTBTIOGAHWDPY-UHFFFAOYSA-N 1 1 291.398 3.261 20 30 CGEDMO N#CC1(c2ccc(-c3ccc4[nH+]c(N)[nH]c4c3)cc2)CC1 ZINC001243422940 823400975 /nfs/dbraw/zinc/40/09/75/823400975.db2.gz ZPPKVEDEOCQYJQ-UHFFFAOYSA-N 1 1 274.327 3.367 20 30 CGEDMO C=CC[N@H+](Cc1n[nH]c2cc(N)ccc21)C1CCCCC1 ZINC001236433242 819477013 /nfs/dbraw/zinc/47/70/13/819477013.db2.gz HEMUHTLILCRLKK-UHFFFAOYSA-N 1 1 284.407 3.466 20 30 CGEDMO C=CC[N@H+](Cc1cc(OC)cc(C(=O)OC)c1)C(C)(C)C ZINC001236766447 819591569 /nfs/dbraw/zinc/59/15/69/819591569.db2.gz VXRAIFIFIVAFFS-UHFFFAOYSA-N 1 1 291.391 3.268 20 30 CGEDMO COc1cc(O)c(C[N@H+]2CCC[C@@H](CC#N)C2)c(Cl)c1 ZINC001236804765 819602760 /nfs/dbraw/zinc/60/27/60/819602760.db2.gz YFJBBBPQUZRWKH-NSHDSACASA-N 1 1 294.782 3.180 20 30 CGEDMO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](C#N)C2)c(O)c1 ZINC001237048183 819651623 /nfs/dbraw/zinc/65/16/23/819651623.db2.gz DSDIZXYXLFSKOL-ZDUSSCGKSA-N 1 1 258.365 3.251 20 30 CGEDMO CC(C)c1ccc(C[N@H+]2CCC[C@@H](C#N)C2)c(O)c1 ZINC001237048183 819651625 /nfs/dbraw/zinc/65/16/25/819651625.db2.gz DSDIZXYXLFSKOL-ZDUSSCGKSA-N 1 1 258.365 3.251 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@@H](F)CC2)c2cc(C#N)ccc21 ZINC001237465528 819758209 /nfs/dbraw/zinc/75/82/09/819758209.db2.gz JENAYQYGZLLDEP-OAHLLOKOSA-N 1 1 285.366 3.374 20 30 CGEDMO Cn1cc(C[N@@H+]2CCc3occc3C2)c2cc(C#N)ccc21 ZINC001237473571 819758763 /nfs/dbraw/zinc/75/87/63/819758763.db2.gz OINPUQLRCAVVDK-UHFFFAOYSA-N 1 1 291.354 3.201 20 30 CGEDMO Cn1cc(C[N@H+]2CCc3occc3C2)c2cc(C#N)ccc21 ZINC001237473571 819758767 /nfs/dbraw/zinc/75/87/67/819758767.db2.gz OINPUQLRCAVVDK-UHFFFAOYSA-N 1 1 291.354 3.201 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cn(C)c2ccc(C#N)cc12 ZINC001237473470 819759498 /nfs/dbraw/zinc/75/94/98/819759498.db2.gz KQWSAJFCTFLPPL-UHFFFAOYSA-N 1 1 267.376 3.448 20 30 CGEDMO Cc1cccc(O)c1C[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001237485750 819761782 /nfs/dbraw/zinc/76/17/82/819761782.db2.gz RVBPEBKGQJVKPB-UHFFFAOYSA-N 1 1 278.355 3.131 20 30 CGEDMO CC1CC[NH+](Cc2cc(C#N)c(F)cc2F)CC1 ZINC001237532227 819774320 /nfs/dbraw/zinc/77/43/20/819774320.db2.gz QBLLPOMHLFUGLZ-UHFFFAOYSA-N 1 1 250.292 3.068 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)CC[C@@]1(C)O ZINC001237747331 819835313 /nfs/dbraw/zinc/83/53/13/819835313.db2.gz UMHQSURVMRHSBM-MLGOLLRUSA-N 1 1 292.810 3.195 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cccc(N3CCCCC3)n2)C1 ZINC001238012189 819911367 /nfs/dbraw/zinc/91/13/67/819911367.db2.gz YLUSTIYKZRSAEW-MRXNPFEDSA-N 1 1 298.434 3.198 20 30 CGEDMO C=CC[N@@H+](C)Cc1cccc(Cl)c1C(=O)OCC ZINC001238044376 819918485 /nfs/dbraw/zinc/91/84/85/819918485.db2.gz MXQNLZZAHMSIGT-UHFFFAOYSA-N 1 1 267.756 3.135 20 30 CGEDMO C=CC[N@H+](C)Cc1cccc(Cl)c1C(=O)OCC ZINC001238044376 819918489 /nfs/dbraw/zinc/91/84/89/819918489.db2.gz MXQNLZZAHMSIGT-UHFFFAOYSA-N 1 1 267.756 3.135 20 30 CGEDMO Cc1cc(F)cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1O ZINC001238069487 819922884 /nfs/dbraw/zinc/92/28/84/819922884.db2.gz IQDRZKDIJHBUSN-UWEBFBLFSA-N 1 1 274.339 3.106 20 30 CGEDMO CCCO[C@H]1CC[N@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238194867 819952708 /nfs/dbraw/zinc/95/27/08/819952708.db2.gz UMCPBRHBFOPJBL-AWEZNQCLSA-N 1 1 278.783 3.213 20 30 CGEDMO CCCO[C@H]1CC[N@@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238194867 819952713 /nfs/dbraw/zinc/95/27/13/819952713.db2.gz UMCPBRHBFOPJBL-AWEZNQCLSA-N 1 1 278.783 3.213 20 30 CGEDMO COCC[N@@H+](Cc1ccc(Cl)c(C#N)c1)C(C)C ZINC001238194847 819953407 /nfs/dbraw/zinc/95/34/07/819953407.db2.gz SPEYIBOPUWSGJR-UHFFFAOYSA-N 1 1 266.772 3.068 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)ccc1Cl ZINC001238197098 819954912 /nfs/dbraw/zinc/95/49/12/819954912.db2.gz SAMFOIDFGTUQIC-BBRMVZONSA-N 1 1 290.794 3.213 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(F)c(F)c1OC ZINC001238473036 820015882 /nfs/dbraw/zinc/01/58/82/820015882.db2.gz PPCLPQVEGIKVTB-UHFFFAOYSA-N 1 1 255.308 3.371 20 30 CGEDMO CCc1cc(C[N@@H+](C(C)C)C2CCN(C)CC2)ccc1C#N ZINC001238773140 820114736 /nfs/dbraw/zinc/11/47/36/820114736.db2.gz VDGFYYWKHUKNKK-UHFFFAOYSA-N 1 1 299.462 3.425 20 30 CGEDMO CCCCCCCCNC(=O)Nc1cc[nH+]c(N)c1 ZINC001239182827 820224823 /nfs/dbraw/zinc/22/48/23/820224823.db2.gz SAKTTYNXAXXQLP-UHFFFAOYSA-N 1 1 264.373 3.146 20 30 CGEDMO C=CCc1ccnc(-c2c[nH+]c(N)cc2C)c1C(OC)OC ZINC001242079055 822339536 /nfs/dbraw/zinc/33/95/36/822339536.db2.gz XRLXLVMBWXTYAZ-UHFFFAOYSA-N 1 1 299.374 3.054 20 30 CGEDMO C[N@H+]1CC[C@H](c2ccc(-c3cncc(C#N)c3)cc2)C1 ZINC001242275908 822934176 /nfs/dbraw/zinc/93/41/76/822934176.db2.gz GRIXQAJQUSKXRT-INIZCTEOSA-N 1 1 263.344 3.039 20 30 CGEDMO C#CC[N@H+](CCOC1CCCCCC1)C(C)(C)C ZINC001308088220 933045709 /nfs/dbraw/zinc/04/57/09/933045709.db2.gz NVNJCDSSFFJAAX-UHFFFAOYSA-N 1 1 251.414 3.460 20 30 CGEDMO C=CC[C@@H]([NH2+]C1CCCCCCC1)C(=O)OCC ZINC001339093471 936349952 /nfs/dbraw/zinc/34/99/52/936349952.db2.gz HCMHROWVSQELBP-CQSZACIVSA-N 1 1 253.386 3.197 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]1CNc1cccc(C)n1 ZINC001340940711 936420843 /nfs/dbraw/zinc/42/08/43/936420843.db2.gz TYUYOJQIDVNKAH-HNNXBMFYSA-N 1 1 259.397 3.233 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC001341044256 936425179 /nfs/dbraw/zinc/42/51/79/936425179.db2.gz KYMUYYITLDVSEG-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC1(C(=O)N(C)C[C@H]2CC[N@@H+]2CC[C@H](C)F)CCC1 ZINC001479244578 936463891 /nfs/dbraw/zinc/46/38/91/936463891.db2.gz KRSCTGQAQSTEKF-LSDHHAIUSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1cccnc1N(C)C ZINC001343221222 936491266 /nfs/dbraw/zinc/49/12/66/936491266.db2.gz GPSBPXJYUMTJDR-UHFFFAOYSA-N 1 1 295.430 3.378 20 30 CGEDMO C#Cc1ccc(C[N@@H+](C)Cc2cc(C(C)(C)C)n[nH]2)cc1 ZINC001343273461 936493296 /nfs/dbraw/zinc/49/32/96/936493296.db2.gz CVUVMGOWDUDJGK-UHFFFAOYSA-N 1 1 281.403 3.321 20 30 CGEDMO C[C@H](C[C@H]1CCCC[N@H+]1C)OC(=O)c1csc(C#N)c1 ZINC001345158393 936804525 /nfs/dbraw/zinc/80/45/25/936804525.db2.gz CGPLJEYPVZBFFN-DGCLKSJQSA-N 1 1 292.404 3.039 20 30 CGEDMO CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC)C1)c1cccc(C#N)c1 ZINC001350636927 936996918 /nfs/dbraw/zinc/99/69/18/936996918.db2.gz UYGTWQGONUMDAQ-WMZOPIPTSA-N 1 1 285.435 3.331 20 30 CGEDMO CC[C@H]([NH2+]C[C@@H]1CCCN(CC)C1)c1cccc(C#N)c1 ZINC001350636927 936996919 /nfs/dbraw/zinc/99/69/19/936996919.db2.gz UYGTWQGONUMDAQ-WMZOPIPTSA-N 1 1 285.435 3.331 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCC[N@H+]([C@@H](C)CCC=C)C1 ZINC001480247253 937040922 /nfs/dbraw/zinc/04/09/22/937040922.db2.gz QSPCLCPCMGJHAB-JKSUJKDBSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@@H+](C)CCNC(=O)c1cc2cccc(C)c2s1 ZINC001480882327 926717755 /nfs/dbraw/zinc/71/77/55/926717755.db2.gz YKOVHZVOYZHNMF-UHFFFAOYSA-N 1 1 288.416 3.057 20 30 CGEDMO CC[N@H+]1CC[C@@H](N(C)c2cc(F)ccc2C#N)C[C@H]1C ZINC001472704615 937105817 /nfs/dbraw/zinc/10/58/17/937105817.db2.gz CBWGVUBIEVZEBZ-IUODEOHRSA-N 1 1 275.371 3.006 20 30 CGEDMO CC(C)(C)c1csc(CO[NH+]=C(N)C2CCCC2)n1 ZINC000176121711 926765703 /nfs/dbraw/zinc/76/57/03/926765703.db2.gz STJYEUWEMMFLGQ-UHFFFAOYSA-N 1 1 281.425 3.420 20 30 CGEDMO C=CCC1(C(=O)NCC[N@H+](CC)CC(=C)C)CCCC1 ZINC001481020726 926861313 /nfs/dbraw/zinc/86/13/13/926861313.db2.gz UBZCMWQHXUXFAH-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cscc1C ZINC001481034201 926868221 /nfs/dbraw/zinc/86/82/21/926868221.db2.gz XNXGOFGZADKHBP-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)C(F)=C1CCCC1 ZINC001481035933 926868352 /nfs/dbraw/zinc/86/83/52/926868352.db2.gz NBCFFVKLGSIULN-OAHLLOKOSA-N 1 1 294.414 3.331 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C1(CF)CCC1 ZINC001481057257 926876162 /nfs/dbraw/zinc/87/61/62/926876162.db2.gz GDLUZQCLFRABTJ-HUUCEWRRSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001481113254 926887899 /nfs/dbraw/zinc/88/78/99/926887899.db2.gz RKZFURJPOSRZES-OAHLLOKOSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C1CC(C)(C(=O)NCC[N@H+](CCCCC)C2CC2)C1 ZINC001481185685 926901950 /nfs/dbraw/zinc/90/19/50/926901950.db2.gz IBMBFKBHORTRQC-UHFFFAOYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)/C=C\C(C)(C)C)C1 ZINC001481482499 926999800 /nfs/dbraw/zinc/99/98/00/926999800.db2.gz QPYITSZJIGACLN-HGPCXVNDSA-N 1 1 292.467 3.335 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@@H](C[N@H+](C)CC/C=C/CC)C1 ZINC001481487503 927002119 /nfs/dbraw/zinc/00/21/19/927002119.db2.gz DLVNYNAZIKPGTJ-LXXRFIIISA-N 1 1 292.467 3.479 20 30 CGEDMO C#CCC[N@H+](C)CC1CCN(C(=O)C(C)(C)CCC)CC1 ZINC001481518110 927012212 /nfs/dbraw/zinc/01/22/12/927012212.db2.gz HKIKAAQZKDUACT-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C2(CC)CCCC2)C1 ZINC001481538431 927018487 /nfs/dbraw/zinc/01/84/87/927018487.db2.gz YBLAWGPYCWPVGE-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C=C)CC)C1 ZINC001481536875 927019424 /nfs/dbraw/zinc/01/94/24/927019424.db2.gz QWMLYXVCWNFWQG-HOTGVXAUSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)C[C@@H](C=C)c2ccccc2)C1 ZINC001481696440 927062837 /nfs/dbraw/zinc/06/28/37/927062837.db2.gz LBJZSMYCVNLLIW-AEFFLSMTSA-N 1 1 298.430 3.113 20 30 CGEDMO CCCCC[N@H+]1CC[C@@H](N(CC)C(=O)C#CC(C)(C)C)C1 ZINC001481766967 927084869 /nfs/dbraw/zinc/08/48/69/927084869.db2.gz UBWYSDYWRCWQSE-MRXNPFEDSA-N 1 1 292.467 3.149 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H](CC)CC(C)C)C1 ZINC001481779573 927087280 /nfs/dbraw/zinc/08/72/80/927087280.db2.gz UJAJUCNWLKECSM-SJORKVTESA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H](C)C(C)(F)F ZINC001482628797 927333822 /nfs/dbraw/zinc/33/38/22/927333822.db2.gz IBIMCJKQKPTLKM-CHWSQXEVSA-N 1 1 290.398 3.023 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)c1sccc1CC ZINC001482650175 927337627 /nfs/dbraw/zinc/33/76/27/927337627.db2.gz QGAOTCWARONQPH-UHFFFAOYSA-N 1 1 294.464 3.281 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)[C@@H](C)CCC(C)(C)C ZINC001482642251 927338929 /nfs/dbraw/zinc/33/89/29/927338929.db2.gz AUVYXTZQVOCNNI-HNNXBMFYSA-N 1 1 282.472 3.415 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)Cc1cccs1 ZINC001483305211 927477374 /nfs/dbraw/zinc/47/73/74/927477374.db2.gz CIQTWWDBWLAFEG-UONOGXRCSA-N 1 1 294.464 3.082 20 30 CGEDMO C=C(C)CCC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001357752302 937179572 /nfs/dbraw/zinc/17/95/72/937179572.db2.gz JOIMADSRQIZKPP-IYBDPMFKSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](C2CCN(C(=O)/C=C(\C)CC)CC2)C1 ZINC001483798980 927624565 /nfs/dbraw/zinc/62/45/65/927624565.db2.gz IYAVLIJDLLQMGC-VOGRQWBCSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@]2(CCN(C(=O)C3CC3)C2)C1 ZINC001483828744 927629900 /nfs/dbraw/zinc/62/99/00/927629900.db2.gz ZTKYUMRINPZNTN-QAPCUYQASA-N 1 1 290.451 3.066 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N(C)C1C[NH+](CC/C=C/CCC)C1 ZINC001483876513 927638412 /nfs/dbraw/zinc/63/84/12/927638412.db2.gz DSJDWJVAYUWQAM-ZGKFYVQTSA-N 1 1 292.467 3.478 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(C)=O ZINC001484451245 927706499 /nfs/dbraw/zinc/70/64/99/927706499.db2.gz XLYVTFJKCDXDNL-JKSUJKDBSA-N 1 1 266.429 3.042 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CC(CC)CC)[C@@H]2C1 ZINC001484471748 927708578 /nfs/dbraw/zinc/70/85/78/927708578.db2.gz APKAUPPZERPWLV-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC(C)C ZINC001484460631 927708749 /nfs/dbraw/zinc/70/87/49/927708749.db2.gz PXYOAGXANAYOQZ-JKSUJKDBSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H](C)CCCC)[C@@H]2C1 ZINC001484470654 927710015 /nfs/dbraw/zinc/71/00/15/927710015.db2.gz MVQWATOYBMUVDN-IXDOHACOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1(CC)CC1 ZINC001484463662 927710139 /nfs/dbraw/zinc/71/01/39/927710139.db2.gz KBTGWRFJWSNABP-CVEARBPZSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@@H+]1CCc2c(CNC(=O)CCC)cccc2C1 ZINC001484611956 927728405 /nfs/dbraw/zinc/72/84/05/927728405.db2.gz ZHLOYWRVUISLAC-UHFFFAOYSA-N 1 1 286.419 3.037 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)C[C@H](C)CC(C)(C)C)CC1 ZINC001484722387 927749173 /nfs/dbraw/zinc/74/91/73/927749173.db2.gz VEVRJTHZOOVAJF-HOTGVXAUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)c1ccc(C)cc1 ZINC001484764518 927750556 /nfs/dbraw/zinc/75/05/56/927750556.db2.gz PCSZUQWWGYOICE-UHFFFAOYSA-N 1 1 294.826 3.141 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCN(C)C(=O)c1ccc(C)cc1 ZINC001484764518 927750566 /nfs/dbraw/zinc/75/05/66/927750566.db2.gz PCSZUQWWGYOICE-UHFFFAOYSA-N 1 1 294.826 3.141 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@H](C)[C@@H](C)CC ZINC001484761440 927751066 /nfs/dbraw/zinc/75/10/66/927751066.db2.gz GDPAGGGBYFBXBI-LSDHHAIUSA-N 1 1 268.445 3.025 20 30 CGEDMO C=C[C@@H](C(=O)N(C)CCC[N@H+](C)CCC)c1ccccc1 ZINC001484769328 927756695 /nfs/dbraw/zinc/75/66/95/927756695.db2.gz SGEDBFQGLIVHMS-QGZVFWFLSA-N 1 1 288.435 3.147 20 30 CGEDMO C#CCCCCC(=O)N[C@H]1CC[N@@H+](CC=C(C)C)[C@H](C)C1 ZINC001484974305 927781513 /nfs/dbraw/zinc/78/15/13/927781513.db2.gz RQTDTUNLEKBNTC-SJORKVTESA-N 1 1 290.451 3.115 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCCN1C(=O)/C(C)=C\C ZINC001485055902 927791603 /nfs/dbraw/zinc/79/16/03/927791603.db2.gz NDYYNLLHRJQSEC-BKZJWICZSA-N 1 1 278.440 3.230 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)C1=CCCC1 ZINC001485053819 927797128 /nfs/dbraw/zinc/79/71/28/927797128.db2.gz DENSDJSMSUDLCO-RDJZCZTQSA-N 1 1 290.451 3.374 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC2(CC2)C1 ZINC001485057794 927798752 /nfs/dbraw/zinc/79/87/52/927798752.db2.gz ZWQLDQZBVOSSHZ-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C#CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H](CC)CC1CCCC1 ZINC001485357221 927857037 /nfs/dbraw/zinc/85/70/37/927857037.db2.gz QTGPYVKJZFDLQU-WBVHZDCISA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[C@H]1[N@H+](CC[S@](=O)C(F)(F)F)CCCC1(C)C ZINC001473432129 937198976 /nfs/dbraw/zinc/19/89/76/937198976.db2.gz IVONEZNNLFKTKG-WYRIXSBYSA-N 1 1 297.386 3.322 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)c1coc2ccccc21 ZINC001485396108 927861759 /nfs/dbraw/zinc/86/17/59/927861759.db2.gz VBAMBBKUIFUMPC-ZDUSSCGKSA-N 1 1 286.375 3.059 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC(C)(C)[C@H]2COC[C@H]21 ZINC001473544541 937199922 /nfs/dbraw/zinc/19/99/22/937199922.db2.gz BZVMOMZEABGPDL-DLBZAZTESA-N 1 1 284.403 3.032 20 30 CGEDMO C=CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C)CC ZINC001485474086 927876859 /nfs/dbraw/zinc/87/68/59/927876859.db2.gz LKGZNVWTKMSLAG-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@](C)(CC)CCC ZINC001485485863 927881860 /nfs/dbraw/zinc/88/18/60/927881860.db2.gz SPJAJCSALLBGIB-SJLPKXTDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)C(CC)CC)CCC[C@@H]12 ZINC001486139255 927989767 /nfs/dbraw/zinc/98/97/67/927989767.db2.gz HRTFNRYDBRHSNB-WBVHZDCISA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)CSCCC)[C@@H]1C ZINC001486172579 927992345 /nfs/dbraw/zinc/99/23/45/927992345.db2.gz WQPGRPUVYVPPDL-GJZGRUSLSA-N 1 1 298.496 3.065 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)CCCCC(C)C)[C@@H]1C ZINC001486184436 927997884 /nfs/dbraw/zinc/99/78/84/927997884.db2.gz UPRLKJRFUSDBNX-IRXDYDNUSA-N 1 1 292.467 3.195 20 30 CGEDMO CC[N@@H+](Cc1ccncc1)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171204395 928200067 /nfs/dbraw/zinc/20/00/67/928200067.db2.gz XAZGLGKSFLGFAP-HNNXBMFYSA-N 1 1 279.387 3.406 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCCC ZINC001325899914 928261672 /nfs/dbraw/zinc/26/16/72/928261672.db2.gz OBVUZXFQWYBVIB-JKSUJKDBSA-N 1 1 278.440 3.208 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(C)CCCCC1 ZINC001488652041 928286989 /nfs/dbraw/zinc/28/69/89/928286989.db2.gz CUDUBLKHYSLNEL-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC2(C)C)[C@H]1C ZINC001489256831 928319615 /nfs/dbraw/zinc/31/96/15/928319615.db2.gz UPHJTRMDSNWFAK-OAGGEKHMSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@](C)(F)CCCC)[C@H]1C ZINC001489274473 928323743 /nfs/dbraw/zinc/32/37/43/928323743.db2.gz BNGGTSSQSHXGMD-IJEWVQPXSA-N 1 1 284.419 3.060 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)CCCCCC)[C@H]1C ZINC001489300726 928326224 /nfs/dbraw/zinc/32/62/24/928326224.db2.gz MQUKMMRMFFVYRF-ZACQAIPSSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C1(CCF)CC1 ZINC001489326811 928327800 /nfs/dbraw/zinc/32/78/00/928327800.db2.gz YLGVMQFQRLTJGZ-HNNXBMFYSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC[N@@H+](C)CCCNC(=O)c1ccc(Cl)cc1F ZINC001490221220 928338417 /nfs/dbraw/zinc/33/84/17/928338417.db2.gz GUXJIKUXFOMSOR-UHFFFAOYSA-N 1 1 298.789 3.107 20 30 CGEDMO C=CC[N@H+](C)CCCNC(=O)[C@@H](C)CCC(C)(C)C ZINC001490270281 928342000 /nfs/dbraw/zinc/34/20/00/928342000.db2.gz LDZZVJCDRFJYEO-AWEZNQCLSA-N 1 1 268.445 3.073 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)[C@H]1CCC[C@@H](C)C1)C1CC1 ZINC001490383999 928350808 /nfs/dbraw/zinc/35/08/08/928350808.db2.gz WTGBATNTHWOLPT-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+](CCCNC(=O)C12CCC(CC1)C2)C1CC1 ZINC001490377959 928350993 /nfs/dbraw/zinc/35/09/93/928350993.db2.gz SFLHWNBOCUXXCT-UHFFFAOYSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC)CCCC)C1 ZINC001490428252 928361699 /nfs/dbraw/zinc/36/16/99/928361699.db2.gz UDIUHPIDBKACCC-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)CSCCC)C1 ZINC001490431604 928362250 /nfs/dbraw/zinc/36/22/50/928362250.db2.gz VFVRFUHCIPDSGY-GJZGRUSLSA-N 1 1 298.496 3.065 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)C(C)C)C1 ZINC001490758167 928387776 /nfs/dbraw/zinc/38/77/76/928387776.db2.gz FTKRBAKJLFMAEX-MRXNPFEDSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)C2(CCC)CC2)C1 ZINC001490773145 928388193 /nfs/dbraw/zinc/38/81/93/928388193.db2.gz XUHKPLYHFQNKBO-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CCC1 ZINC001490798497 928402684 /nfs/dbraw/zinc/40/26/84/928402684.db2.gz BEUAQFCTLBCLAT-HRCADAONSA-N 1 1 290.451 3.207 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC001321445730 928503236 /nfs/dbraw/zinc/50/32/36/928503236.db2.gz HTOBXWSUQRZVQC-WFASDCNBSA-N 1 1 278.783 3.406 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C=C(CC)CC)C1 ZINC001490988074 928822067 /nfs/dbraw/zinc/82/20/67/928822067.db2.gz ZBLLCRROKWOYJW-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)CCC1 ZINC001490975751 928822979 /nfs/dbraw/zinc/82/29/79/928822979.db2.gz XWXDVXOSNQMACK-MQVJKMGUSA-N 1 1 290.451 3.253 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(C)C ZINC001490975750 928823104 /nfs/dbraw/zinc/82/31/04/928823104.db2.gz MDFZGCXLGBXVGI-YCXXCVGLSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@](C)(C=C)CC ZINC001491224497 928843368 /nfs/dbraw/zinc/84/33/68/928843368.db2.gz ITHMXGCBKRDKKP-WBVHZDCISA-N 1 1 278.440 3.136 20 30 CGEDMO CCCCCCCCSC[C@@H]1C[N@H+](C)CCO1 ZINC001459159000 937481248 /nfs/dbraw/zinc/48/12/48/937481248.db2.gz QAGPCLDNNZBWNF-AWEZNQCLSA-N 1 1 259.459 3.411 20 30 CGEDMO CCCCCCCCSC[C@@H]1C[N@@H+](C)CCO1 ZINC001459159000 937481249 /nfs/dbraw/zinc/48/12/49/937481249.db2.gz QAGPCLDNNZBWNF-AWEZNQCLSA-N 1 1 259.459 3.411 20 30 CGEDMO C#C[C@H]1CCC[N@H+](C[C@@H](C)COCc2ccccc2)C1 ZINC001460306975 937525646 /nfs/dbraw/zinc/52/56/46/937525646.db2.gz COZJTAVXQRJJBE-SJORKVTESA-N 1 1 271.404 3.185 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)CCc2ccccc2)C1 ZINC001460365365 937529260 /nfs/dbraw/zinc/52/92/60/937529260.db2.gz BCXYUMBDGZBDPS-SFHVURJKSA-N 1 1 272.436 3.201 20 30 CGEDMO C=C(C)CCN1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC001460365365 937529261 /nfs/dbraw/zinc/52/92/61/937529261.db2.gz BCXYUMBDGZBDPS-SFHVURJKSA-N 1 1 272.436 3.201 20 30 CGEDMO C=C(C)CCN1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC001460365365 937529262 /nfs/dbraw/zinc/52/92/62/937529262.db2.gz BCXYUMBDGZBDPS-SFHVURJKSA-N 1 1 272.436 3.201 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1CCCNC(=O)OC(C)(C)C ZINC001460886801 937550152 /nfs/dbraw/zinc/55/01/52/937550152.db2.gz QMKPRZCRXCTFQF-CQSZACIVSA-N 1 1 282.428 3.332 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@](CC)(C(=O)OC(C)(C)C)C1 ZINC001460870240 937550506 /nfs/dbraw/zinc/55/05/06/937550506.db2.gz KETDPGQWCXOFJI-INIZCTEOSA-N 1 1 267.413 3.396 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)c(F)c1)Cc1ccccc1O ZINC001139530059 931953172 /nfs/dbraw/zinc/95/31/72/931953172.db2.gz JHNAGVYIASQCTC-UHFFFAOYSA-N 1 1 284.334 3.425 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c(F)c1 ZINC001140136327 931956905 /nfs/dbraw/zinc/95/69/05/931956905.db2.gz VQBPXOYXWYILKM-YPMHNXCESA-N 1 1 280.293 3.174 20 30 CGEDMO C#C[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)c(OC)c1 ZINC001460916008 937552695 /nfs/dbraw/zinc/55/26/95/937552695.db2.gz KZMSZBSGFAJIIC-CYBMUJFWSA-N 1 1 263.768 3.336 20 30 CGEDMO C#C[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)c(OC)c1 ZINC001460916008 937552697 /nfs/dbraw/zinc/55/26/97/937552697.db2.gz KZMSZBSGFAJIIC-CYBMUJFWSA-N 1 1 263.768 3.336 20 30 CGEDMO CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@H](C)C(C)C ZINC001157675657 931980840 /nfs/dbraw/zinc/98/08/40/931980840.db2.gz SHOBUJBTXXACGO-DLBZAZTESA-N 1 1 292.467 3.005 20 30 CGEDMO CCCCCCCCC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC001461042441 937560792 /nfs/dbraw/zinc/56/07/92/937560792.db2.gz JGQOVTXWEORPNK-OAHLLOKOSA-N 1 1 268.445 3.290 20 30 CGEDMO Cc1cc(C[NH2+]CC2(C#N)CCCCC2)cc(C)n1 ZINC001461645179 937590691 /nfs/dbraw/zinc/59/06/91/937590691.db2.gz KGDCBIKXKOBFMI-UHFFFAOYSA-N 1 1 257.381 3.262 20 30 CGEDMO CC[C@H](C)[C@H](C[N@@H+](CCC#N)CC(C)(C)C)OC ZINC001461899340 937605402 /nfs/dbraw/zinc/60/54/02/937605402.db2.gz NYTAALGANJXRFA-KBPBESRZSA-N 1 1 254.418 3.309 20 30 CGEDMO Cc1cc(Cl)c(C#N)c(O[C@H]2CCC[N@H+](C(C)C)C2)n1 ZINC001230183629 932539725 /nfs/dbraw/zinc/53/97/25/932539725.db2.gz OOEQADLIURRPQD-LBPRGKRZSA-N 1 1 293.798 3.167 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC([C@H]2CCC[N@@H+]2CC)CC1 ZINC001230569479 932591254 /nfs/dbraw/zinc/59/12/54/932591254.db2.gz MVGOFLREDYAAAA-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)CC1CC1 ZINC001230604384 932596679 /nfs/dbraw/zinc/59/66/79/932596679.db2.gz YVAJZFUUCVSWJF-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO N#Cc1ccc(Cl)c(Cl)c1O[C@@H]1C[NH+]2CCC1CC2 ZINC001234428055 932685767 /nfs/dbraw/zinc/68/57/67/932685767.db2.gz MPNIYNXNUJSMGH-GFCCVEGCSA-N 1 1 297.185 3.338 20 30 CGEDMO C=CC[N@H+](CCCc1ccc(F)c(F)c1)CCOC ZINC001462192854 937624108 /nfs/dbraw/zinc/62/41/08/937624108.db2.gz TZPUCTTYDCYHJY-UHFFFAOYSA-N 1 1 269.335 3.032 20 30 CGEDMO Cc1cc(-c2cc(F)cc(C#N)c2)cn2cc[nH+]c12 ZINC001241658254 932699519 /nfs/dbraw/zinc/69/95/19/932699519.db2.gz GZMJDBIKWZWLTA-UHFFFAOYSA-N 1 1 251.264 3.321 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C(C)C)[C@@H]1C ZINC001332186508 932735379 /nfs/dbraw/zinc/73/53/79/932735379.db2.gz UFNZWHLWDOPIJN-LSDHHAIUSA-N 1 1 280.456 3.214 20 30 CGEDMO C#CCCCC(=O)NCCC[N@H+](C)CC1CCCCCC1 ZINC001264979875 932741816 /nfs/dbraw/zinc/74/18/16/932741816.db2.gz IKTPFLXLVUBOAC-UHFFFAOYSA-N 1 1 292.467 3.198 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)c1cocc1C ZINC001316599105 932743340 /nfs/dbraw/zinc/74/33/40/932743340.db2.gz AOHBMJVBICFBJP-GJZGRUSLSA-N 1 1 290.407 3.089 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCNC(=O)C[C@H]1CCC[C@H]1C ZINC001316826955 932761686 /nfs/dbraw/zinc/76/16/86/932761686.db2.gz VROZCELYVZQIHV-TZMCWYRMSA-N 1 1 286.847 3.003 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCNC(=O)C[C@H]1CCC[C@H]1C ZINC001316826955 932761691 /nfs/dbraw/zinc/76/16/91/932761691.db2.gz VROZCELYVZQIHV-TZMCWYRMSA-N 1 1 286.847 3.003 20 30 CGEDMO C#CCCCCC(=O)N1CCC[C@@H]([N@@H+](C)CCCC=C)C1 ZINC001491918371 932796010 /nfs/dbraw/zinc/79/60/10/932796010.db2.gz CCCFOAWZWBTKNK-QGZVFWFLSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CC1(CC(=O)NCC[N@@H+](C)C[C@@H](F)CC)CCCCC1 ZINC001492454654 932819498 /nfs/dbraw/zinc/81/94/98/932819498.db2.gz ZNGORCOZZKMYHL-HNNXBMFYSA-N 1 1 298.446 3.309 20 30 CGEDMO C=CC1(CC(=O)NCC[N@H+](C)C[C@@H](F)CC)CCCCC1 ZINC001492454654 932819506 /nfs/dbraw/zinc/81/95/06/932819506.db2.gz ZNGORCOZZKMYHL-HNNXBMFYSA-N 1 1 298.446 3.309 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)C1CCC(=C)CC1 ZINC001317459897 932883014 /nfs/dbraw/zinc/88/30/14/932883014.db2.gz OMVXEBADPNPETH-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO CO[C@]1(C)C[C@H]([N@@H+](C)CCc2ccc(C#N)cc2)C1(C)C ZINC001307494608 932962149 /nfs/dbraw/zinc/96/21/49/932962149.db2.gz VPPXZVZMCJGSHI-FUHWJXTLSA-N 1 1 286.419 3.236 20 30 CGEDMO C=C(C)C[C@@H]([NH2+]C1CCC(C2CCC2)CC1)C(=O)OC ZINC001462504799 937646196 /nfs/dbraw/zinc/64/61/96/937646196.db2.gz LNGYYIZZFDXCMV-UYSNPLJNSA-N 1 1 279.424 3.443 20 30 CGEDMO COCC#CC[N@H+]1CC[C@@H](Cc2ccc(C(C)C)cc2)C1 ZINC001307655046 932982136 /nfs/dbraw/zinc/98/21/36/932982136.db2.gz JNXGMSPPNGDTMP-SFHVURJKSA-N 1 1 285.431 3.324 20 30 CGEDMO CC[C@@H]1CC[N@@H+](CCOc2ccccc2C#N)[C@@H]1C ZINC001307703262 932989659 /nfs/dbraw/zinc/98/96/59/932989659.db2.gz QNVDXTPKTZBUFU-ZIAGYGMSSA-N 1 1 258.365 3.057 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)C[C@H]1CC2(CO1)CCCCC2 ZINC001307729356 932992640 /nfs/dbraw/zinc/99/26/40/932992640.db2.gz LHHQWZVHXUIFTL-QGZVFWFLSA-N 1 1 294.483 3.166 20 30 CGEDMO C=CC[N@@H+](C)CCN(CC)C[C@H]1CC2(CO1)CCCCC2 ZINC001307729356 932992643 /nfs/dbraw/zinc/99/26/43/932992643.db2.gz LHHQWZVHXUIFTL-QGZVFWFLSA-N 1 1 294.483 3.166 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C[C@H]1CC2(CO1)CCCCC2 ZINC001307729356 932992647 /nfs/dbraw/zinc/99/26/47/932992647.db2.gz LHHQWZVHXUIFTL-QGZVFWFLSA-N 1 1 294.483 3.166 20 30 CGEDMO C#CCC[N@@H+](C)CCOc1ccccc1C(C)(C)C ZINC001307728091 932992885 /nfs/dbraw/zinc/99/28/85/932992885.db2.gz GZIMZGOOEGYNLM-UHFFFAOYSA-N 1 1 259.393 3.318 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C[C@@]1(C)CC1(Cl)Cl ZINC001307728969 932993165 /nfs/dbraw/zinc/99/31/65/932993165.db2.gz IMCGMNLRKKBGES-GFCCVEGCSA-N 1 1 279.255 3.010 20 30 CGEDMO C=CCN(C)CC[N@@H+](CC)C[C@@]1(C)CC1(Cl)Cl ZINC001307728969 932993170 /nfs/dbraw/zinc/99/31/70/932993170.db2.gz IMCGMNLRKKBGES-GFCCVEGCSA-N 1 1 279.255 3.010 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)C[C@@]1(C)CC1(Cl)Cl ZINC001307728969 932993175 /nfs/dbraw/zinc/99/31/75/932993175.db2.gz IMCGMNLRKKBGES-GFCCVEGCSA-N 1 1 279.255 3.010 20 30 CGEDMO CCOC(=O)[C@@H]1C2CCC(CC2)[N@H+]1CCCC(C)(C)C#N ZINC001307791385 933001475 /nfs/dbraw/zinc/00/14/75/933001475.db2.gz GUKKRPFYTJTLMB-NRXISQOPSA-N 1 1 292.423 3.122 20 30 CGEDMO C=C(CC)C[N@H+]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC001307838488 933006404 /nfs/dbraw/zinc/00/64/04/933006404.db2.gz FFIORGQOEHWNBT-INIZCTEOSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C(CC)CN1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001307838488 933006405 /nfs/dbraw/zinc/00/64/05/933006405.db2.gz FFIORGQOEHWNBT-INIZCTEOSA-N 1 1 258.409 3.159 20 30 CGEDMO C=C(CC)CN1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001307838488 933006407 /nfs/dbraw/zinc/00/64/07/933006407.db2.gz FFIORGQOEHWNBT-INIZCTEOSA-N 1 1 258.409 3.159 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)C[C@@H]1CCC(C)(C)CO1 ZINC001308016260 933034500 /nfs/dbraw/zinc/03/45/00/933034500.db2.gz MVEWWAQAJIRLHZ-KRWDZBQOSA-N 1 1 286.419 3.238 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)OC(C)(C)C ZINC001308020610 933035497 /nfs/dbraw/zinc/03/54/97/933035497.db2.gz UKUAWRHSZLHCIO-CABCVRRESA-N 1 1 294.439 3.426 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(Cl)cc2OC)C1 ZINC001308067701 933043560 /nfs/dbraw/zinc/04/35/60/933043560.db2.gz JAGFLWPYZQTYLP-LBPRGKRZSA-N 1 1 263.768 3.194 20 30 CGEDMO C=CC[C@H](C)[N@H+]1C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C1 ZINC001308071714 933044717 /nfs/dbraw/zinc/04/47/17/933044717.db2.gz AUDYTRAHJGFYNK-QWHCGFSZSA-N 1 1 282.428 3.186 20 30 CGEDMO C#CC[N@@H+](C[C@H](O)c1ccc(C(F)(F)F)cc1)C(C)(C)C ZINC001308088550 933046663 /nfs/dbraw/zinc/04/66/63/933046663.db2.gz RJLMKIBDGBIHSB-AWEZNQCLSA-N 1 1 299.336 3.473 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1ccc(C(=O)OCC)o1 ZINC001462637371 937656198 /nfs/dbraw/zinc/65/61/98/937656198.db2.gz WJFAANXDFPEJBJ-UHFFFAOYSA-N 1 1 265.353 3.244 20 30 CGEDMO C[C@H](Cc1ccsc1)[N@@H+](C)Cc1cccc(C#N)n1 ZINC001308595369 933140546 /nfs/dbraw/zinc/14/05/46/933140546.db2.gz RUTSXSKCCOTQIR-GFCCVEGCSA-N 1 1 271.389 3.078 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cn(-c2cccc(F)c2)nc1C ZINC001308647816 933149873 /nfs/dbraw/zinc/14/98/73/933149873.db2.gz WMVKZOHAZRQZNH-UHFFFAOYSA-N 1 1 285.366 3.494 20 30 CGEDMO C=CCC[C@H]([NH2+][C@H]1CCC(C)(C)C1)C(=O)OCC ZINC001308769415 933173563 /nfs/dbraw/zinc/17/35/63/933173563.db2.gz HRQYHDOQEXIMTQ-STQMWFEESA-N 1 1 253.386 3.053 20 30 CGEDMO C=CCC[N@@H+](C)CCCNC(=O)[C@]1(C)CC=C(C)CC1 ZINC001316866293 933335714 /nfs/dbraw/zinc/33/57/14/933335714.db2.gz JIJIMLVFBAFQFB-QGZVFWFLSA-N 1 1 278.440 3.137 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)CCC)CC(C)(C)C1 ZINC001316808598 933467752 /nfs/dbraw/zinc/46/77/52/933467752.db2.gz WXSJPCDBFZIOCQ-JKSUJKDBSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)/C=C/C(C)(C)C ZINC001316804184 933482706 /nfs/dbraw/zinc/48/27/06/933482706.db2.gz WGXKPDAVXMPGHU-OFAQMXQXSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CC(C)(C)CC(=O)NCCC[N@H+](C)CC1CCCC1 ZINC001316826592 933484918 /nfs/dbraw/zinc/48/49/18/933484918.db2.gz CIBUQPPNMMKWBP-UHFFFAOYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)CCC(C)C)CC(C)(C)C1 ZINC001316807731 933486114 /nfs/dbraw/zinc/48/61/14/933486114.db2.gz IIWJUTSOUPSVMR-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO CC#CCCCC(=O)NCCC[N@@H+](C)CC1CC(C)(C)C1 ZINC001316841865 933486893 /nfs/dbraw/zinc/48/68/93/933486893.db2.gz GFPLFWIXPDCYRP-UHFFFAOYSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)c1ccc(Cl)[nH]1 ZINC001316846916 933487524 /nfs/dbraw/zinc/48/75/24/933487524.db2.gz FFYNCGPQBAOJQZ-LBPRGKRZSA-N 1 1 297.830 3.075 20 30 CGEDMO C#CCCCCCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=C)C ZINC001317174335 933548320 /nfs/dbraw/zinc/54/83/20/933548320.db2.gz SOKNCCPFNKWHRV-QGZVFWFLSA-N 1 1 290.451 3.117 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)C/C=C(/C)C=C ZINC001317173908 933548440 /nfs/dbraw/zinc/54/84/40/933548440.db2.gz NVHRSZZMJWGCSM-IZNAZMGOSA-N 1 1 276.424 3.056 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCCCCC)C1 ZINC001317208597 933554519 /nfs/dbraw/zinc/55/45/19/933554519.db2.gz ZKSHBVWGTTVUKK-SJORKVTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H](C)[NH2+]C/C(Cl)=C/Cl ZINC001317243022 933561842 /nfs/dbraw/zinc/56/18/42/933561842.db2.gz WJKRIASRVHVNKI-PAKSIRSJSA-N 1 1 293.238 3.002 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C)C2CCC2)C1 ZINC001317374714 933579144 /nfs/dbraw/zinc/57/91/44/933579144.db2.gz FIYDXHBHHKRHBJ-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C#CCCCC(=O)NCCC[C@H]1CCC[N@@H+]1CC=C(C)C ZINC001317420942 933592130 /nfs/dbraw/zinc/59/21/30/933592130.db2.gz KQNSETGQZGRQIX-KRWDZBQOSA-N 1 1 290.451 3.117 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)c1c(C)cc(F)cc1C ZINC001317460240 933596249 /nfs/dbraw/zinc/59/62/49/933596249.db2.gz ZKVVYMNHYBICFA-UHFFFAOYSA-N 1 1 292.398 3.070 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)C1CCC=CCC1 ZINC001317470247 933600545 /nfs/dbraw/zinc/60/05/45/933600545.db2.gz NSMDFBIMJKEOPQ-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)CC(C)C ZINC001317508331 933606894 /nfs/dbraw/zinc/60/68/94/933606894.db2.gz KFSAZJYZGKMIOC-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2C)C1 ZINC001317517555 933611031 /nfs/dbraw/zinc/61/10/31/933611031.db2.gz MEHQCRGALXCYIM-INIZCTEOSA-N 1 1 286.419 3.013 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)CCCCC)C1 ZINC001317535939 933612001 /nfs/dbraw/zinc/61/20/01/933612001.db2.gz LCDWBLLKHNSRNP-MRXNPFEDSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCC[N@@H+](CCC)CCNC(=O)[C@@]1(C)CC=CCC1 ZINC001317540399 933613178 /nfs/dbraw/zinc/61/31/78/933613178.db2.gz JGSNJGSIMZUYSM-KRWDZBQOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)CC[N@@H+](CCC)CCNC(=O)C1(C)CC=CC1 ZINC001317546762 933617821 /nfs/dbraw/zinc/61/78/21/933617821.db2.gz JVPBAHYFZNMQKJ-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCCC[N@H+](CCNC(=O)c1ccc(F)s1)C1CC1 ZINC001317559990 933620611 /nfs/dbraw/zinc/62/06/11/933620611.db2.gz AZAFOLGPJXKAKB-UHFFFAOYSA-N 1 1 296.411 3.048 20 30 CGEDMO C#CCC[N@H+](CCNC(=O)C(C)(C)CC(C)(C)C)C1CC1 ZINC001317562029 933622943 /nfs/dbraw/zinc/62/29/43/933622943.db2.gz SBKPLRMVUJEZBH-UHFFFAOYSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)/C(C)=C\CC)C1 ZINC001317754507 933644056 /nfs/dbraw/zinc/64/40/56/933644056.db2.gz SOJWOUBQHQUCSQ-QOBZYLRHSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CCC[N@H+](Cc2csc(C)c2)C1 ZINC001317924960 933664894 /nfs/dbraw/zinc/66/48/94/933664894.db2.gz CENJYWSRXXSLOG-OAHLLOKOSA-N 1 1 292.448 3.103 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H](CC)CC2CCCC2)C1 ZINC001317985265 933671753 /nfs/dbraw/zinc/67/17/53/933671753.db2.gz SKQIQFDRXKUNDK-SJORKVTESA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)CCCCCC(C)C)C1 ZINC001317984556 933671921 /nfs/dbraw/zinc/67/19/21/933671921.db2.gz GGWPHIOGGFTLMR-KRWDZBQOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CCC[N@@H+](CC3CC3)C2)CCCC1 ZINC001317994325 933672037 /nfs/dbraw/zinc/67/20/37/933672037.db2.gz BWQHBTMDGFNFDE-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)Cc2cccs2)C1 ZINC001317995888 933674044 /nfs/dbraw/zinc/67/40/44/933674044.db2.gz XLASMEKIGNRXLG-UHFFFAOYSA-N 1 1 294.464 3.061 20 30 CGEDMO C=CCC1(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C(C)C)CCCCC1 ZINC001318228304 933699355 /nfs/dbraw/zinc/69/93/55/933699355.db2.gz IEKWWROJDQZOHE-HOTGVXAUSA-N 1 1 290.451 3.207 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C)cc1 ZINC001318224927 933700008 /nfs/dbraw/zinc/70/00/08/933700008.db2.gz SYPRYHJOXXDLEK-NJAFHUGGSA-N 1 1 298.430 3.248 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001318282058 933704531 /nfs/dbraw/zinc/70/45/31/933704531.db2.gz QDCXMTXMIGAIAT-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@](C)(CC)CCCCC)C1 ZINC001318309562 933707866 /nfs/dbraw/zinc/70/78/66/933707866.db2.gz UUXHPAAMVRGGKW-WMZOPIPTSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2occc2C)C1 ZINC001318379595 933716908 /nfs/dbraw/zinc/71/69/08/933716908.db2.gz ICPQQDYRBHDKOE-CABCVRRESA-N 1 1 290.407 3.089 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)/C=C(/C)CC)C1 ZINC001318399668 933719675 /nfs/dbraw/zinc/71/96/75/933719675.db2.gz IJKUDOSHTYKJMW-YNLMUAPZSA-N 1 1 278.440 3.230 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)C2(CCCC)CC2)C1 ZINC001318429742 933725017 /nfs/dbraw/zinc/72/50/17/933725017.db2.gz SSGXVCGYOXKJIK-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)CCC2(C)CC2)C1 ZINC001318442019 933727181 /nfs/dbraw/zinc/72/71/81/933727181.db2.gz JDWXJBJTKPFVPU-CVEARBPZSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC1(C(=O)N(C)[C@H]2CC[N@H+](CCC)C2)CCCC1 ZINC001318454851 933728826 /nfs/dbraw/zinc/72/88/26/933728826.db2.gz XIOUHGBSFFVIOO-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)c1cccc(NC(=O)NC[C@@H]2CCC[N@@H+]2CC)c1 ZINC001467475250 937718413 /nfs/dbraw/zinc/71/84/13/937718413.db2.gz KGQFWIBCQWSFKW-INIZCTEOSA-N 1 1 287.407 3.326 20 30 CGEDMO CC1(C)C[N@@H+](CCC(=O)Nc2ccccc2C#N)C1(C)C ZINC001319368975 933863648 /nfs/dbraw/zinc/86/36/48/933863648.db2.gz HXUCUCZFPKZESV-UHFFFAOYSA-N 1 1 285.391 3.007 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)[C@@H]1CCCC[C@H]1C1CC1 ZINC001467728758 937721433 /nfs/dbraw/zinc/72/14/33/937721433.db2.gz OVEVMTIXQGTDPT-DLBZAZTESA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)C1(CC=C)CCCC1 ZINC001467728216 937721616 /nfs/dbraw/zinc/72/16/16/937721616.db2.gz AHWPBSHDUNGTRF-UHFFFAOYSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCC1(CNC(=O)C[N@H+](C)CC(C)(C)C)CCCC1 ZINC001467992049 937723607 /nfs/dbraw/zinc/72/36/07/937723607.db2.gz NWQKYJOHABMGIJ-UHFFFAOYSA-N 1 1 280.456 3.217 20 30 CGEDMO C#CC[N@@H+](Cc1nc2ccc(Cl)cc2n1C)CC1CC1 ZINC001319727278 933923612 /nfs/dbraw/zinc/92/36/12/933923612.db2.gz PXSIEPMJHOZRHO-UHFFFAOYSA-N 1 1 287.794 3.072 20 30 CGEDMO C#CC[N@H+](Cc1nc2ccc(Cl)cc2n1C)CC1CC1 ZINC001319727278 933923618 /nfs/dbraw/zinc/92/36/18/933923618.db2.gz PXSIEPMJHOZRHO-UHFFFAOYSA-N 1 1 287.794 3.072 20 30 CGEDMO CCN(CC)c1ccc(C[N@H+](C)CC2(C#N)CC2)cc1 ZINC001319828404 933938150 /nfs/dbraw/zinc/93/81/50/933938150.db2.gz KSYDNHWCXQOHMI-UHFFFAOYSA-N 1 1 271.408 3.268 20 30 CGEDMO CCN(CC)c1ccc(C[N@@H+](C)CC2(C#N)CC2)cc1 ZINC001319828404 933938157 /nfs/dbraw/zinc/93/81/57/933938157.db2.gz KSYDNHWCXQOHMI-UHFFFAOYSA-N 1 1 271.408 3.268 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC(CC[N@@H+](C)CCF)CC1 ZINC001319880449 933951288 /nfs/dbraw/zinc/95/12/88/933951288.db2.gz LKOILWMAMQMLLC-UHFFFAOYSA-N 1 1 298.446 3.119 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1N1CCCC1)CC1CC1 ZINC001319972827 933969242 /nfs/dbraw/zinc/96/92/42/933969242.db2.gz MIQHPRGLHHIHCK-UHFFFAOYSA-N 1 1 268.404 3.132 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)[C@@H](F)CC1CCCCC1 ZINC001320073347 933992647 /nfs/dbraw/zinc/99/26/47/933992647.db2.gz YFXKAFRKVGXLBH-INIZCTEOSA-N 1 1 298.446 3.261 20 30 CGEDMO C=C[C@@H](COC)[NH2+][C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC001320305843 934027423 /nfs/dbraw/zinc/02/74/23/934027423.db2.gz HOWCIURHKZFWMD-JQWIXIFHSA-N 1 1 293.798 3.078 20 30 CGEDMO C=C[C@H](COC)[NH2+][C@H](C)c1nc2ccc(Cl)cc2n1C ZINC001320305845 934027695 /nfs/dbraw/zinc/02/76/95/934027695.db2.gz HOWCIURHKZFWMD-ZYHUDNBSSA-N 1 1 293.798 3.078 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc(OC(C)C)cc2)C1 ZINC001320376955 934039587 /nfs/dbraw/zinc/03/95/87/934039587.db2.gz IKZWMLMUQAGDSY-QGZVFWFLSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CC[C@H]([NH2+][C@@H](C)CCC1CCCC1)C(=O)OCC ZINC001320767051 934102407 /nfs/dbraw/zinc/10/24/07/934102407.db2.gz LQLYGAMBOQWQNF-ZFWWWQNUSA-N 1 1 267.413 3.443 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cccc(C(F)F)c2)C1 ZINC001321044600 934142121 /nfs/dbraw/zinc/14/21/21/934142121.db2.gz OCXAMJOZGNAPJK-CQSZACIVSA-N 1 1 267.319 3.401 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cccc(C(F)F)c2)C1 ZINC001321044599 934142538 /nfs/dbraw/zinc/14/25/38/934142538.db2.gz OCXAMJOZGNAPJK-AWEZNQCLSA-N 1 1 267.319 3.401 20 30 CGEDMO C=CCC1(C(=O)N[C@@H](C)C[N@@H+](C)CCC(=C)C)CCC1 ZINC001322239363 934263725 /nfs/dbraw/zinc/26/37/25/934263725.db2.gz ZYXILWLUWNVXGT-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]1CNC(=O)C1(C)CCC1 ZINC001323277170 934379264 /nfs/dbraw/zinc/37/92/64/934379264.db2.gz KSEFYWDTCKPOCH-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc(OC)c(Cl)c2)C1 ZINC001323727798 934421437 /nfs/dbraw/zinc/42/14/37/934421437.db2.gz IOMYGSLQGRFAGC-CYBMUJFWSA-N 1 1 281.783 3.126 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@H](C)CCC)C2)C1 ZINC001323804122 934427152 /nfs/dbraw/zinc/42/71/52/934427152.db2.gz RWPFWHOUTCKSCB-SJLPKXTDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)/C(C)=C/CC)C2)C1 ZINC001323844659 934431803 /nfs/dbraw/zinc/43/18/03/934431803.db2.gz MDHQZBGHZOLPMH-WHMKARLCSA-N 1 1 290.451 3.233 20 30 CGEDMO CCCCCCC[NH+]1CC(N(C)C(=O)C2(CC)CC2)C1 ZINC001323978667 934445105 /nfs/dbraw/zinc/44/51/05/934445105.db2.gz KDQSBDHFZAWVLL-UHFFFAOYSA-N 1 1 280.456 3.290 20 30 CGEDMO CC#CC[N@@H+]1CC[C@](C)(NC(=O)C[C@@H](C)CCCCC)C1 ZINC001324655373 934540895 /nfs/dbraw/zinc/54/08/95/934540895.db2.gz BWLKIEPDEXNEQO-WMZOPIPTSA-N 1 1 292.467 3.197 20 30 CGEDMO CCCCCCCC(=O)N1CC[N@H+](C2CC2)C[C@@H]1C ZINC001472581172 937777904 /nfs/dbraw/zinc/77/79/04/937777904.db2.gz LZIQMWPONAMIEC-AWEZNQCLSA-N 1 1 266.429 3.042 20 30 CGEDMO C#CCOCC[N@H+](CCC)[C@H]1CCc2ccccc21 ZINC001473123390 937793037 /nfs/dbraw/zinc/79/30/37/937793037.db2.gz AHTCMXNZWJGBHJ-KRWDZBQOSA-N 1 1 257.377 3.036 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)CCn1cc(Cl)cn1 ZINC001473137445 937794486 /nfs/dbraw/zinc/79/44/86/937794486.db2.gz VRHSBYBZFIEXLQ-UHFFFAOYSA-N 1 1 289.810 3.267 20 30 CGEDMO CCC#C[C@H](C)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001473193125 937796922 /nfs/dbraw/zinc/79/69/22/937796922.db2.gz LLKCABVOPZYZRS-PKOBYXMFSA-N 1 1 284.447 3.242 20 30 CGEDMO CCC#C[C@H](C)[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC001473193125 937796930 /nfs/dbraw/zinc/79/69/30/937796930.db2.gz LLKCABVOPZYZRS-PKOBYXMFSA-N 1 1 284.447 3.242 20 30 CGEDMO CCC#C[C@H](C)[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC001473193125 937796931 /nfs/dbraw/zinc/79/69/31/937796931.db2.gz LLKCABVOPZYZRS-PKOBYXMFSA-N 1 1 284.447 3.242 20 30 CGEDMO C#CCOCC[N@@H+]1CCC[C@H]1c1cc(C)ccc1C ZINC001473278211 937799942 /nfs/dbraw/zinc/79/99/42/937799942.db2.gz QRLFPWVWJQSDKO-KRWDZBQOSA-N 1 1 257.377 3.090 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN1CCN(C)c2[nH+]cccc21 ZINC001473348904 937802534 /nfs/dbraw/zinc/80/25/34/937802534.db2.gz HZROKAGOFNLKDX-UHFFFAOYSA-N 1 1 292.386 3.027 20 30 CGEDMO CCCCCCCC[N@@H+]1CCN(CC(C)C)C(=O)C1 ZINC001473405187 937805684 /nfs/dbraw/zinc/80/56/84/937805684.db2.gz YFLRJCJUFLDWPY-UHFFFAOYSA-N 1 1 268.445 3.147 20 30 CGEDMO CCCCCCCC[N@H+]1CCN(CC(C)C)C(=O)C1 ZINC001473405187 937805685 /nfs/dbraw/zinc/80/56/85/937805685.db2.gz YFLRJCJUFLDWPY-UHFFFAOYSA-N 1 1 268.445 3.147 20 30 CGEDMO C#CCCCCCC[N@@H+]1Cc2ccccc2NC(=O)C1 ZINC001473588608 937812720 /nfs/dbraw/zinc/81/27/20/937812720.db2.gz XGTWWZASWIHFLP-UHFFFAOYSA-N 1 1 270.376 3.024 20 30 CGEDMO C#CCCCCCC[N@H+]1Cc2ccccc2NC(=O)C1 ZINC001473588608 937812722 /nfs/dbraw/zinc/81/27/22/937812722.db2.gz XGTWWZASWIHFLP-UHFFFAOYSA-N 1 1 270.376 3.024 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)c2cccs2)C1 ZINC001324911255 934871657 /nfs/dbraw/zinc/87/16/57/934871657.db2.gz YUUWWISQKXCFQB-MRXNPFEDSA-N 1 1 292.448 3.156 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)c2ccoc2)C1 ZINC001324908960 934871702 /nfs/dbraw/zinc/87/17/02/934871702.db2.gz GDLKGCYHRLCTJM-KRWDZBQOSA-N 1 1 290.407 3.078 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@]1(C)CCC[N@H+](C(C)C)C1 ZINC001324960998 934876188 /nfs/dbraw/zinc/87/61/88/934876188.db2.gz MWDMNZZYPYBEJD-QGZVFWFLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)C2(CCC)CC2)C1 ZINC001324962376 934877030 /nfs/dbraw/zinc/87/70/30/934877030.db2.gz ZMVKPUQOGUFBJB-KRWDZBQOSA-N 1 1 292.467 3.361 20 30 CGEDMO C[N@@H+](CC#Cc1ccccc1Cl)[C@@H](CO)CC(C)(C)C ZINC001473475290 937808315 /nfs/dbraw/zinc/80/83/15/937808315.db2.gz CPTFLJKPUSHDAA-OAHLLOKOSA-N 1 1 293.838 3.420 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)CCCC ZINC001325899925 934937866 /nfs/dbraw/zinc/93/78/66/934937866.db2.gz OMCSPYZEMFOOFA-HRCADAONSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCOCC[N@H+]1CCC[C@H]2O[C@@H](c3ccccc3)C[C@H]21 ZINC001473601384 937813264 /nfs/dbraw/zinc/81/32/64/937813264.db2.gz JGDRRRZFNLRLJD-KZNAEPCWSA-N 1 1 287.403 3.184 20 30 CGEDMO Cc1nc([C@H](C)[NH2+]Cc2cccc(OCC#N)c2)cs1 ZINC001326010271 934943938 /nfs/dbraw/zinc/94/39/38/934943938.db2.gz LGLRXGISNDFRHC-NSHDSACASA-N 1 1 287.388 3.205 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C(CC)CC)CC1 ZINC001327097424 935028942 /nfs/dbraw/zinc/02/89/42/935028942.db2.gz DQGMQRREHAQFRP-MRXNPFEDSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC(=O)N[C@H]1CCC[N@@H+](CC2CCCC2)CC1 ZINC001327110095 935030865 /nfs/dbraw/zinc/03/08/65/935030865.db2.gz GSXQBOANQXRIBK-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)co2)CC1 ZINC001327141085 935035716 /nfs/dbraw/zinc/03/57/16/935035716.db2.gz BHXPBJVVTLBOCB-OAHLLOKOSA-N 1 1 290.407 3.139 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)C[C@H](CC)C(C)C)CC1 ZINC001327162381 935038917 /nfs/dbraw/zinc/03/89/17/935038917.db2.gz IWNFTDBKEFLVMR-IRXDYDNUSA-N 1 1 292.467 3.053 20 30 CGEDMO CCC(CC)C[N@@H+](C)CCCN(C)C(=O)C#CC(C)(C)C ZINC001327212881 935044983 /nfs/dbraw/zinc/04/49/83/935044983.db2.gz KYTNJSWPRBQLRD-UHFFFAOYSA-N 1 1 294.483 3.252 20 30 CGEDMO C=CC(C)(C)C(=O)N(C)CCC[N@H+](C)C[C@@H](C)CC ZINC001327245738 935047960 /nfs/dbraw/zinc/04/79/60/935047960.db2.gz OUAPSRBEKRBXQF-AWEZNQCLSA-N 1 1 268.445 3.025 20 30 CGEDMO C=CCCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC001327355937 935056215 /nfs/dbraw/zinc/05/62/15/935056215.db2.gz YUPJHCNVJQHPSX-KRWDZBQOSA-N 1 1 287.403 3.469 20 30 CGEDMO C=CCCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC001327355937 935056221 /nfs/dbraw/zinc/05/62/21/935056221.db2.gz YUPJHCNVJQHPSX-KRWDZBQOSA-N 1 1 287.403 3.469 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)CCC2CC2)C[C@@H]1C ZINC001328243004 935126383 /nfs/dbraw/zinc/12/63/83/935126383.db2.gz ZCIOVZLVMBOJBA-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)c1cc(C)oc1C ZINC001328703829 935160729 /nfs/dbraw/zinc/16/07/29/935160729.db2.gz NUYNBVFRSGHZPH-OAHLLOKOSA-N 1 1 290.407 3.009 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)C1(C)CCCC1 ZINC001328751968 935166837 /nfs/dbraw/zinc/16/68/37/935166837.db2.gz CXQNXVBIHZFSRX-AWEZNQCLSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C1(C)CCCC1 ZINC001328751968 935166838 /nfs/dbraw/zinc/16/68/38/935166838.db2.gz CXQNXVBIHZFSRX-AWEZNQCLSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCCC)C2)C1 ZINC001328809900 935171030 /nfs/dbraw/zinc/17/10/30/935171030.db2.gz VBCRTTPBCZBXHO-IRXDYDNUSA-N 1 1 292.467 3.313 20 30 CGEDMO CCCC[N@H+]1CCCCC[C@H]1CNC(=O)C#CC(C)(C)C ZINC001329922214 935254882 /nfs/dbraw/zinc/25/48/82/935254882.db2.gz AQUYWNMAXNUISW-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C[C@]12CCCC[C@H]1C[N@H+]2Cc1ccc(OCC#N)cc1 ZINC001329935214 935255024 /nfs/dbraw/zinc/25/50/24/935255024.db2.gz YZCWBFUHLBCURY-RDJZCZTQSA-N 1 1 270.376 3.353 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3CC[C@H]4OCCC[C@H]4C3)cc2)CC1 ZINC001330235766 935279820 /nfs/dbraw/zinc/27/98/20/935279820.db2.gz AXBPMLHSKMTLNN-FUHWJXTLSA-N 1 1 296.414 3.243 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)[C@H](CCCC)C(C)C)C(C)(C)C1 ZINC001330260675 935280973 /nfs/dbraw/zinc/28/09/73/935280973.db2.gz CXHFQHMCNXMOEU-CVEARBPZSA-N 1 1 294.483 3.461 20 30 CGEDMO CS[C@@H]1CC[C@@H]([N@@H+](C)CCc2ccc(C#N)cc2)C1 ZINC001330547517 935294155 /nfs/dbraw/zinc/29/41/55/935294155.db2.gz PPTIHZAZKWMRHO-HZPDHXFCSA-N 1 1 274.433 3.317 20 30 CGEDMO CS[C@H]1CC[C@H]([N@@H+](C)CCc2ccc(C#N)cc2)C1 ZINC001330547516 935294756 /nfs/dbraw/zinc/29/47/56/935294756.db2.gz PPTIHZAZKWMRHO-HOTGVXAUSA-N 1 1 274.433 3.317 20 30 CGEDMO Cc1cc([C@H](C)[NH2+]Cc2cccc(C#N)n2)c(C)o1 ZINC001331711897 935404820 /nfs/dbraw/zinc/40/48/20/935404820.db2.gz KSPCOYPBDNEVRY-NSHDSACASA-N 1 1 255.321 3.014 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccccc2OCC(F)F)C1 ZINC001331993442 935431749 /nfs/dbraw/zinc/43/17/49/935431749.db2.gz KAYOIMITZKOMQP-AWEZNQCLSA-N 1 1 297.345 3.107 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)CCCCC)CCC[C@H]12 ZINC001332072091 935437028 /nfs/dbraw/zinc/43/70/28/935437028.db2.gz VUIKCXFEZSMUQZ-GOEBONIOSA-N 1 1 298.858 3.432 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)CCCCC)CCC[C@H]12 ZINC001332072091 935437030 /nfs/dbraw/zinc/43/70/30/935437030.db2.gz VUIKCXFEZSMUQZ-GOEBONIOSA-N 1 1 298.858 3.432 20 30 CGEDMO CCOC(=O)C[N@@H+](CCCCC1(C#N)CCC1)C1CCC1 ZINC001332884818 935495290 /nfs/dbraw/zinc/49/52/90/935495290.db2.gz MVOXSUSDZQWALA-UHFFFAOYSA-N 1 1 292.423 3.268 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)C=C(CC)CC)CC1 ZINC001333323981 935525618 /nfs/dbraw/zinc/52/56/18/935525618.db2.gz MBAYMFJVHOPESX-UHFFFAOYSA-N 1 1 290.451 3.447 20 30 CGEDMO C=CC(C)(C)CC(=O)NCC1=CC[N@H+](C/C=C\Cl)CC1 ZINC001333349640 935528431 /nfs/dbraw/zinc/52/84/31/935528431.db2.gz HIJGQMQFJIUYAL-YVMONPNESA-N 1 1 296.842 3.090 20 30 CGEDMO C=CC(C)(C)CC(=O)NCC1=CC[N@@H+](C/C=C\Cl)CC1 ZINC001333349640 935528435 /nfs/dbraw/zinc/52/84/35/935528435.db2.gz HIJGQMQFJIUYAL-YVMONPNESA-N 1 1 296.842 3.090 20 30 CGEDMO CCOc1ccc2c(c1)C[N@@H+](CC#Cc1ccccc1)CC2 ZINC001333612906 935552244 /nfs/dbraw/zinc/55/22/44/935552244.db2.gz VFESLIFKXDWBBZ-UHFFFAOYSA-N 1 1 291.394 3.495 20 30 CGEDMO CCOc1ccc2c(c1)C[N@H+](CC#Cc1ccccc1)CC2 ZINC001333612906 935552248 /nfs/dbraw/zinc/55/22/48/935552248.db2.gz VFESLIFKXDWBBZ-UHFFFAOYSA-N 1 1 291.394 3.495 20 30 CGEDMO C=C[C@@H](CC)CC(=O)Nc1cccnc1-n1cc[nH+]c1C ZINC001334142354 936087426 /nfs/dbraw/zinc/08/74/26/936087426.db2.gz JTKNQRHZFBOESA-ZDUSSCGKSA-N 1 1 284.363 3.117 20 30 CGEDMO C=C(C)CCC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001337178493 936241924 /nfs/dbraw/zinc/24/19/24/936241924.db2.gz QLLBIEGPRDFSQL-INIZCTEOSA-N 1 1 288.435 3.370 20 30 CGEDMO C#CC[N@@H+](Cc1sc(C)nc1C(F)(F)F)CC1CC1 ZINC001337844949 936293936 /nfs/dbraw/zinc/29/39/36/936293936.db2.gz FUYMDCOIJIWPRG-UHFFFAOYSA-N 1 1 288.338 3.316 20 30 CGEDMO C#CC[N@H+](Cc1sc(C)nc1C(F)(F)F)CC1CC1 ZINC001337844949 936293939 /nfs/dbraw/zinc/29/39/39/936293939.db2.gz FUYMDCOIJIWPRG-UHFFFAOYSA-N 1 1 288.338 3.316 20 30 CGEDMO C=CCCC[N@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC001473749313 937820571 /nfs/dbraw/zinc/82/05/71/937820571.db2.gz KIUGFJINRMYNKX-INIZCTEOSA-N 1 1 251.414 3.481 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cccc(C(=O)OC(C)(C)C)c2)C1 ZINC001473788566 937821565 /nfs/dbraw/zinc/82/15/65/937821565.db2.gz OQEBXAASEHKDNM-HNNXBMFYSA-N 1 1 299.414 3.487 20 30 CGEDMO C#CC[N@@H+](Cc1cccc(OC(F)F)c1)C(C)C ZINC001473817780 937823509 /nfs/dbraw/zinc/82/35/09/937823509.db2.gz YDTVJUDJJZORHN-UHFFFAOYSA-N 1 1 253.292 3.132 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]2CC[C@]21CNC(=O)OC(C)(C)C ZINC001473835478 937823778 /nfs/dbraw/zinc/82/37/78/937823778.db2.gz IXJNGEXADJGXDU-PBHICJAKSA-N 1 1 294.439 3.332 20 30 CGEDMO C#C[C@@H]1CCCC[N@H+]1C[C@@H](O)c1ccc(F)cc1Cl ZINC001473868368 937826161 /nfs/dbraw/zinc/82/61/61/937826161.db2.gz PTUNCSMKKYYIOX-IUODEOHRSA-N 1 1 281.758 3.000 20 30 CGEDMO C#C[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc(F)cc1Cl ZINC001473868368 937826163 /nfs/dbraw/zinc/82/61/63/937826163.db2.gz PTUNCSMKKYYIOX-IUODEOHRSA-N 1 1 281.758 3.000 20 30 CGEDMO C#C[C@H]1CCCC[N@H+]1C[C@H](O)c1ccc(F)cc1Cl ZINC001473868370 937826206 /nfs/dbraw/zinc/82/62/06/937826206.db2.gz PTUNCSMKKYYIOX-WFASDCNBSA-N 1 1 281.758 3.000 20 30 CGEDMO C#C[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(F)cc1Cl ZINC001473868370 937826207 /nfs/dbraw/zinc/82/62/07/937826207.db2.gz PTUNCSMKKYYIOX-WFASDCNBSA-N 1 1 281.758 3.000 20 30 CGEDMO C=CCC[C@H]([NH2+][C@H](C)CCC(C)C)C(=O)OCC ZINC001474528871 937864200 /nfs/dbraw/zinc/86/42/00/937864200.db2.gz YYDLLKSWNJBFAF-KGLIPLIRSA-N 1 1 255.402 3.299 20 30 CGEDMO C=CCC[C@@H](C)[NH2+]CC(F)(F)C1(O)CCCCC1 ZINC001474746665 937878484 /nfs/dbraw/zinc/87/84/84/937878484.db2.gz ALZNXEHCUKTKLV-GFCCVEGCSA-N 1 1 261.356 3.261 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](CC(C)C)[C@@H]1CC ZINC001479639954 937923469 /nfs/dbraw/zinc/92/34/69/937923469.db2.gz TYUYGGSJDPMSEX-LSDHHAIUSA-N 1 1 280.456 3.214 20 30 CGEDMO C#CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](C)CCCC ZINC001479733891 937924630 /nfs/dbraw/zinc/92/46/30/937924630.db2.gz FBWZBKUSABRAOC-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)CCC(=O)N1CCCC[C@H]1C[N@@H+](C)CC(=C)Cl ZINC001479734220 937924683 /nfs/dbraw/zinc/92/46/83/937924683.db2.gz BQTYDLUTIZSFHE-HNNXBMFYSA-N 1 1 298.858 3.408 20 30 CGEDMO C=C(C)CCC(=O)N1CCCC[C@H]1C[N@H+](C)CC(=C)Cl ZINC001479734220 937924685 /nfs/dbraw/zinc/92/46/85/937924685.db2.gz BQTYDLUTIZSFHE-HNNXBMFYSA-N 1 1 298.858 3.408 20 30 CGEDMO C=CC(C)(C)C(=O)NCCC[N@H+](C)Cc1cccc(C)c1 ZINC001479789453 937925974 /nfs/dbraw/zinc/92/59/74/937925974.db2.gz PMXYJFPRLXWJRJ-UHFFFAOYSA-N 1 1 288.435 3.145 20 30 CGEDMO C=C(C)C[N@@H+](CCCNC(=O)c1cscc1C)C1CC1 ZINC001479868149 937927761 /nfs/dbraw/zinc/92/77/61/937927761.db2.gz YTFXMNLGICWWTO-UHFFFAOYSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C/C=C/c2ccc(C)cc2)C1 ZINC001479974365 937929962 /nfs/dbraw/zinc/92/99/62/937929962.db2.gz VDLFQVAZFSYKTM-QWNKOJSDSA-N 1 1 298.430 3.165 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)/C(C)=C\CC)C1 ZINC001480070869 937931662 /nfs/dbraw/zinc/93/16/62/937931662.db2.gz BEJPHTBAKZUBPE-YMDFIQGPSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)C/C=C(/C)C=C)C1 ZINC001480082166 937931852 /nfs/dbraw/zinc/93/18/52/937931852.db2.gz NTBLIGQWNOVWDO-LPPOOGIUSA-N 1 1 290.451 3.255 20 30 CGEDMO C=CCC1(C(=O)N2CCC[C@H](C[N@H+](C)CC)C2)CCCC1 ZINC001480090981 937932219 /nfs/dbraw/zinc/93/22/19/937932219.db2.gz ZGWOFSGYOPWTEE-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)CC ZINC001480180994 937933614 /nfs/dbraw/zinc/93/36/14/937933614.db2.gz LYWIULFOVOMLNO-HNSVSWJLSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)CC2(C)CCCC2)C1 ZINC001480252329 937935284 /nfs/dbraw/zinc/93/52/84/937935284.db2.gz JHOBAOHWTDPACV-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)C(C)C)C1 ZINC001480266780 937935526 /nfs/dbraw/zinc/93/55/26/937935526.db2.gz YMINHCGVRHIJCK-CVEARBPZSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)/C=C(/C)CC ZINC001480317611 937936457 /nfs/dbraw/zinc/93/64/57/937936457.db2.gz NQPSAHOLKYMCCW-KGAUPUERSA-N 1 1 278.440 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(CC)CC)C1 ZINC001480377079 937937457 /nfs/dbraw/zinc/93/74/57/937937457.db2.gz RREWDZUDOPYBGZ-GDBMZVCRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CC)C1 ZINC001480371189 937937769 /nfs/dbraw/zinc/93/77/69/937937769.db2.gz AEZFQJBOZMDFBU-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001480717152 937942736 /nfs/dbraw/zinc/94/27/36/937942736.db2.gz SLESHYHZDNBCFX-KRWDZBQOSA-N 1 1 286.419 3.189 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)C2(CCC)CC2)C1 ZINC001480734273 937942950 /nfs/dbraw/zinc/94/29/50/937942950.db2.gz BTYMGMPTUVCPCZ-CQSZACIVSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)C2(CCC)CC2)C1 ZINC001480734273 937942951 /nfs/dbraw/zinc/94/29/51/937942951.db2.gz BTYMGMPTUVCPCZ-CQSZACIVSA-N 1 1 298.858 3.242 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)C1CCC=CCC1 ZINC001480833588 937945404 /nfs/dbraw/zinc/94/54/04/937945404.db2.gz VMMNKLQOHPFISX-KRWDZBQOSA-N 1 1 290.451 3.280 20 30 CGEDMO CCCCCC[N@H+]1CCC[C@H]1CNC(=O)C#CC(C)(C)C ZINC001493099818 937947336 /nfs/dbraw/zinc/94/73/36/937947336.db2.gz WWKRHBCMFAPSAZ-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)C1C[C@H](C)C[C@@H](C)C1 ZINC001493334661 937949597 /nfs/dbraw/zinc/94/95/97/937949597.db2.gz WMLQTBDMMIESDA-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)CC[N@@H+](CCC)CCNC(=O)[C@@H]1CC[C@H](C)C1 ZINC001493317093 937949637 /nfs/dbraw/zinc/94/96/37/937949637.db2.gz VDHWYEKWSVNPDO-JKSUJKDBSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CCC(=O)NCC[N@@H+](CCC(C)(C)C)C1CC1 ZINC001493373801 937950012 /nfs/dbraw/zinc/95/00/12/937950012.db2.gz OBKMBZQFRGHWGC-UHFFFAOYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)C2CC(C)(C)C2)C1 ZINC001493946164 937952295 /nfs/dbraw/zinc/95/22/95/937952295.db2.gz DXDIIZJLIVHKTJ-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC)CCC)C1 ZINC001494327157 937954350 /nfs/dbraw/zinc/95/43/50/937954350.db2.gz WMNKUSWSGIWSTO-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CCC[N@H+](C[C@H](C)CC)C1 ZINC001494322707 937954461 /nfs/dbraw/zinc/95/44/61/937954461.db2.gz KEFUDMVGVSCGSI-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=C1CCC(C(=O)NC2C[NH+](CCCC(C)(C)C)C2)CC1 ZINC001494442233 937954573 /nfs/dbraw/zinc/95/45/73/937954573.db2.gz RXRAQXWVYUDFAJ-UHFFFAOYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)CCCC ZINC001494651732 937955296 /nfs/dbraw/zinc/95/52/96/937955296.db2.gz GRBNEDGJXVPLSS-JYJNAYRXSA-N 1 1 278.440 3.064 20 30 CGEDMO C#CCCCC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2C)C1 ZINC001494702259 937955608 /nfs/dbraw/zinc/95/56/08/937955608.db2.gz PZTXNINFSYFRED-IRXDYDNUSA-N 1 1 298.430 3.050 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCCCCF ZINC001494666913 937955776 /nfs/dbraw/zinc/95/57/76/937955776.db2.gz FOWQTCIVLXZDBD-ZOBUZTSGSA-N 1 1 296.430 3.014 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](NC(=O)C2=CCCC2)C1 ZINC001494749565 937955855 /nfs/dbraw/zinc/95/58/55/937955855.db2.gz SGVNCYNLAOQCCE-MRXNPFEDSA-N 1 1 278.440 3.258 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001494722792 937955976 /nfs/dbraw/zinc/95/59/76/937955976.db2.gz NRSLPCFEBGZCID-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2sccc2CC)C1 ZINC001494792084 937956342 /nfs/dbraw/zinc/95/63/42/937956342.db2.gz AMHSWVGBFLDCHB-CQSZACIVSA-N 1 1 292.448 3.081 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(CCC)cc1 ZINC001498368519 937969244 /nfs/dbraw/zinc/96/92/44/937969244.db2.gz DJDUADNQWVRVEX-OAHLLOKOSA-N 1 1 288.435 3.265 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]1CNC(=O)C1(CC=C)CCCC1 ZINC001499138641 937972817 /nfs/dbraw/zinc/97/28/17/937972817.db2.gz RLNLAEFGWPLXDP-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC(C)=C(C)C ZINC001499510853 937973611 /nfs/dbraw/zinc/97/36/11/937973611.db2.gz GHUDXLAVHPFMNX-SJORKVTESA-N 1 1 290.451 3.374 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@@]2(C1)CCC[N@H+](C(C)C)C2 ZINC001499570576 937973858 /nfs/dbraw/zinc/97/38/58/937973858.db2.gz QSJYQJXQPKWLOL-KRWDZBQOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C=C(CC)CC)C2)C1 ZINC001499599384 937973999 /nfs/dbraw/zinc/97/39/99/937973999.db2.gz OPMFRDVDPPDCBF-GOSISDBHSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@H](C)CC(C)C)C2)C1 ZINC001499615693 937974083 /nfs/dbraw/zinc/97/40/83/937974083.db2.gz GENGXTBBLNLEBB-FUHWJXTLSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[NH+]1CC(N(C)C(=O)[C@@H](CCC)CC(C)C)C1 ZINC001499804071 937974682 /nfs/dbraw/zinc/97/46/82/937974682.db2.gz CYYGGNCQISNVQU-HNNXBMFYSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(C)=O)C2 ZINC001501156222 937979030 /nfs/dbraw/zinc/97/90/30/937979030.db2.gz NWZYLCKZINAFOK-BJWYYQGGSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](C)CC ZINC001501386143 937979647 /nfs/dbraw/zinc/97/96/47/937979647.db2.gz FRECKXBNWKHFEH-YESZJQIVSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)CCC(=O)N(C)CCC[N@@H+](C)CCC(F)(F)F ZINC001502337887 937981785 /nfs/dbraw/zinc/98/17/85/937981785.db2.gz ARGCHFPVLNGPPS-UHFFFAOYSA-N 1 1 294.361 3.075 20 30 CGEDMO C=CCCC[N@H+](C)CCCN(C)C(=O)c1ccoc1Cl ZINC001502178072 937981977 /nfs/dbraw/zinc/98/19/77/937981977.db2.gz PUCMRVMXRBBXES-UHFFFAOYSA-N 1 1 298.814 3.293 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[C@@H](C)C1 ZINC001502380086 937982070 /nfs/dbraw/zinc/98/20/70/937982070.db2.gz BFSCYBLNDWLIBS-HZPDHXFCSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@@]1(C)CC=C(C)CC1 ZINC001502399068 937982459 /nfs/dbraw/zinc/98/24/59/937982459.db2.gz WPKQRUURDHTGPT-SFHVURJKSA-N 1 1 292.467 3.479 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)C(CC)(CC)CC ZINC001506028617 937988628 /nfs/dbraw/zinc/98/86/28/937988628.db2.gz YFNUVPXTOAEOFD-AWEZNQCLSA-N 1 1 268.445 3.215 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2(CC)CCC2)C[C@H]1C ZINC001502972560 937984106 /nfs/dbraw/zinc/98/41/06/937984106.db2.gz YVPZUHYSRAODJZ-ZIAGYGMSSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(CC)CCC2)C[C@H]1C ZINC001502972560 937984107 /nfs/dbraw/zinc/98/41/07/937984107.db2.gz YVPZUHYSRAODJZ-ZIAGYGMSSA-N 1 1 298.858 3.288 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[N@@H+](CCC2CC2)[C@@H](C)C1 ZINC001502923056 937984125 /nfs/dbraw/zinc/98/41/25/937984125.db2.gz MUOSBMQFIGCLNJ-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@H+](CC)CC1CCN(C(=O)/C(C)=C/CC)CC1 ZINC001505394937 937984907 /nfs/dbraw/zinc/98/49/07/937984907.db2.gz TXLQLKCFADVMSU-LZYBPNLTSA-N 1 1 292.467 3.479 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]1C[N@H+](C)C[C@@H](F)CC ZINC001505432145 937985068 /nfs/dbraw/zinc/98/50/68/937985068.db2.gz GVCXTEWRNVCHJX-GJZGRUSLSA-N 1 1 284.419 3.014 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C[C@H]1CCCN1C(=O)c1ccoc1 ZINC001505418747 937985086 /nfs/dbraw/zinc/98/50/86/937985086.db2.gz AXPVKFASOZNDTO-GOEBONIOSA-N 1 1 290.407 3.171 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)c1occc1C ZINC001505419893 937985209 /nfs/dbraw/zinc/98/52/09/937985209.db2.gz XTPMMTRPGYOGLP-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001505438992 937985474 /nfs/dbraw/zinc/98/54/74/937985474.db2.gz STOSAJLATATYQB-BZUAXINKSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)C1CCCCC1 ZINC001505858352 937987288 /nfs/dbraw/zinc/98/72/88/937987288.db2.gz LMMCHGYVNKBOFD-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@H+]1C[C@H](NC(=O)CCC2CCC2)C(C)(C)C1 ZINC001506735237 937991625 /nfs/dbraw/zinc/99/16/25/937991625.db2.gz ADWIVTBDWALLPR-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO CC#CC[N@@H+]1C[C@H](NC(=O)C(CCC)CCC)C(C)(C)C1 ZINC001506746782 937991760 /nfs/dbraw/zinc/99/17/60/937991760.db2.gz BEHVTUKCQVJLKY-INIZCTEOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)CCC3CCC3)CCC[C@@H]12 ZINC001507340452 937995293 /nfs/dbraw/zinc/99/52/93/937995293.db2.gz KEDJBJUPLKNXLJ-SJLPKXTDSA-N 1 1 290.451 3.256 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CCC2(C)CC2)[C@@H]1C ZINC001507379287 937995564 /nfs/dbraw/zinc/99/55/64/937995564.db2.gz AWBSFYLFCNHMSB-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC=C(CNC(=O)[C@H]2CC2(C)C)CC1 ZINC001508198199 937998422 /nfs/dbraw/zinc/99/84/22/937998422.db2.gz BLASRSDCZVXZHI-GDBMZVCRSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H](CC)CC(C)C)CC1 ZINC001508227402 937998676 /nfs/dbraw/zinc/99/86/76/937998676.db2.gz LZGZUGULWKCZBY-QGZVFWFLSA-N 1 1 292.467 3.383 20 30 CGEDMO Cc1cc(C#N)nc(N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC001515623416 938006899 /nfs/dbraw/zinc/00/68/99/938006899.db2.gz HJGGJMWIWTYAMP-HUUCEWRRSA-N 1 1 298.434 3.327 20 30 CGEDMO C=C(C)CCC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC001520932478 938028778 /nfs/dbraw/zinc/02/87/78/938028778.db2.gz IPOJJRHOTGGYDJ-UHFFFAOYSA-N 1 1 288.435 3.370 20 30 CGEDMO C=C[C@H](C(=O)N1CCC2(CCC[N@@H+]2C)CC1)c1ccccc1 ZINC001521302249 938031031 /nfs/dbraw/zinc/03/10/31/938031031.db2.gz QFOSCDQWMBSOSR-KRWDZBQOSA-N 1 1 298.430 3.043 20 30 CGEDMO C#Cc1cccc(N(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C(C)C)c1 ZINC001528199231 938066166 /nfs/dbraw/zinc/06/61/66/938066166.db2.gz MXXZSOSWGHXBSE-SFHVURJKSA-N 1 1 298.430 3.282 20 30 CGEDMO C#CCCCCCC(=O)N1CC[N@@H+](C2CCCC2)[C@@H](C)C1 ZINC001529008020 938070317 /nfs/dbraw/zinc/07/03/17/938070317.db2.gz ZWNXMRKHMQVTRX-INIZCTEOSA-N 1 1 290.451 3.045 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CCCC[N@@H+]2C)CCCCC1 ZINC001537278995 938109082 /nfs/dbraw/zinc/10/90/82/938109082.db2.gz SHOKBDYFGDHOJD-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(CC)C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC001556710043 938205258 /nfs/dbraw/zinc/20/52/58/938205258.db2.gz UGWBEVOQBWNHSI-UHFFFAOYSA-N 1 1 286.419 3.124 20 30 CGEDMO C#CC[NH+]1CCC(Nc2nc3cc(C)ccc3s2)CC1 ZINC001559283446 938224529 /nfs/dbraw/zinc/22/45/29/938224529.db2.gz JMBNKPMSMQTVKW-UHFFFAOYSA-N 1 1 285.416 3.114 20 30 CGEDMO C#CC[N@@H+](C[C@@H]1C[C@H]2CCC[C@H]2O1)C1CCCCC1 ZINC001559514182 938228182 /nfs/dbraw/zinc/22/81/82/938228182.db2.gz UKZDZFYOZBYYBA-HYVNUMGLSA-N 1 1 261.409 3.212 20 30 CGEDMO CCCCCCCC[N@@H+](CC(=O)OC)C1CCOCC1 ZINC001559569257 938229768 /nfs/dbraw/zinc/22/97/68/938229768.db2.gz SVIVYZQZNLKRQX-UHFFFAOYSA-N 1 1 285.428 3.001 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccccc1SCC ZINC001559802839 938236010 /nfs/dbraw/zinc/23/60/10/938236010.db2.gz MHBICECWXJZVDN-UHFFFAOYSA-N 1 1 265.422 3.433 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)C[C@@H](O)[C@H](C)c1ccccc1 ZINC001559821705 938236650 /nfs/dbraw/zinc/23/66/50/938236650.db2.gz ZKXGVNNJSQZCQS-YLJYHZDGSA-N 1 1 293.410 3.286 20 30 CGEDMO CC1(C)c2ccccc2CC[N@@H+]1Cc1cc(C#N)ccn1 ZINC001559933328 938239500 /nfs/dbraw/zinc/23/95/00/938239500.db2.gz QDVVWUUYGROIKG-UHFFFAOYSA-N 1 1 277.371 3.247 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001559940862 938239786 /nfs/dbraw/zinc/23/97/86/938239786.db2.gz DNTYWSUOELVXLN-MELADBBJSA-N 1 1 267.413 3.251 20 30 CGEDMO CCCCCCCC[N@H+]1CCO[C@](C)(COC)C1 ZINC001560042206 938242418 /nfs/dbraw/zinc/24/24/18/938242418.db2.gz IPYMXJNJKFTUQJ-HNNXBMFYSA-N 1 1 257.418 3.084 20 30 CGEDMO C=C(CC)CN1CCCc2c3[nH+]cn(C)c3ccc21 ZINC001560222668 938247900 /nfs/dbraw/zinc/24/79/00/938247900.db2.gz HKVSEVYWOKHBKW-UHFFFAOYSA-N 1 1 255.365 3.292 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccc(OCCC)c(C)c1 ZINC001560807801 938276990 /nfs/dbraw/zinc/27/69/90/938276990.db2.gz PCUIBSYPULQCIT-UHFFFAOYSA-N 1 1 277.408 3.418 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cn(CC)nc2-c2ccccc2)C1 ZINC001560906994 938283409 /nfs/dbraw/zinc/28/34/09/938283409.db2.gz YJRCNEQDLMFHME-MRXNPFEDSA-N 1 1 293.414 3.415 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cc(C#N)ccc2N(C)C)C1 ZINC001560948491 938286093 /nfs/dbraw/zinc/28/60/93/938286093.db2.gz YMFUOQJFXAEZGC-AWEZNQCLSA-N 1 1 269.392 3.022 20 30 CGEDMO C=CC[N@H+](C)CCC1CCN(C(=O)C[C@H](C)CC)CC1 ZINC001319877136 958794512 /nfs/dbraw/zinc/79/45/12/958794512.db2.gz XNWLHTMQHJFHSV-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO COc1cccc(C[N@H+]2CCC[C@@H](CC#N)C2)c1C ZINC000930921583 958803957 /nfs/dbraw/zinc/80/39/57/958803957.db2.gz FQMBJEDJSZGOFT-AWEZNQCLSA-N 1 1 258.365 3.129 20 30 CGEDMO CC(C)N1CCC([NH2+]C2(c3ccc(C#N)cc3)CC2)CC1 ZINC001257207946 960426534 /nfs/dbraw/zinc/42/65/34/960426534.db2.gz BKAOSAPONKHTGM-UHFFFAOYSA-N 1 1 283.419 3.010 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)C1(C)C(C)(C)C1(C)C ZINC001570755038 960456950 /nfs/dbraw/zinc/45/69/50/960456950.db2.gz GDBCCCXMLUBZON-CQSZACIVSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)CC)C(C)(C)C1 ZINC001570386972 960461000 /nfs/dbraw/zinc/46/10/00/960461000.db2.gz AAVNWSOUZYHQOA-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C(=O)/C(C)=C\C)C(C)C ZINC001571611209 960467195 /nfs/dbraw/zinc/46/71/95/960467195.db2.gz PWIPMJJZVFHCRM-NVNXTCNLSA-N 1 1 266.429 3.088 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)CCCC)[C@@H]1C ZINC001571515203 960469037 /nfs/dbraw/zinc/46/90/37/960469037.db2.gz PBSLBFMOFDAYLF-LSDHHAIUSA-N 1 1 266.429 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)CCCC)[C@H]1C ZINC001571515202 960470819 /nfs/dbraw/zinc/47/08/19/960470819.db2.gz PBSLBFMOFDAYLF-HUUCEWRRSA-N 1 1 266.429 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)C2(CC)CCCC2)C1 ZINC001566878776 960574386 /nfs/dbraw/zinc/57/43/86/960574386.db2.gz GWMXSPINAFVBJR-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)C(C)(C)C ZINC001567370822 960592388 /nfs/dbraw/zinc/59/23/88/960592388.db2.gz ZCUIOHRUBXWPKA-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO CC#CCCCC(=O)NCC[N@H+](CC)CC1CCCCC1 ZINC001567342335 960595550 /nfs/dbraw/zinc/59/55/50/960595550.db2.gz GDHMAGZEKKJLLQ-UHFFFAOYSA-N 1 1 292.467 3.198 20 30 CGEDMO C=CC[C@@H]1CCCC[C@H]1NC(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC001565063628 960730092 /nfs/dbraw/zinc/73/00/92/960730092.db2.gz QREWCZQLOQOUCW-BZUAXINKSA-N 1 1 295.471 3.149 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)CCCCC ZINC001565832952 960831149 /nfs/dbraw/zinc/83/11/49/960831149.db2.gz ISTMWNLKPQWCCR-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)CCCCC ZINC001565832952 960831156 /nfs/dbraw/zinc/83/11/56/960831156.db2.gz ISTMWNLKPQWCCR-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCC2CCC2)[C@H]1CC ZINC001566009778 960869057 /nfs/dbraw/zinc/86/90/57/960869057.db2.gz TXDIAFVJLBLJDY-LSDHHAIUSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCC2CCC2)[C@H]1CC ZINC001566009778 960869075 /nfs/dbraw/zinc/86/90/75/960869075.db2.gz TXDIAFVJLBLJDY-LSDHHAIUSA-N 1 1 298.858 3.288 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)CCC)[C@H]1C ZINC001566082515 960877345 /nfs/dbraw/zinc/87/73/45/960877345.db2.gz FGMNLWXYMWUBTM-OAGGEKHMSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC2(C)C)[C@H]1C ZINC001566101234 960880510 /nfs/dbraw/zinc/88/05/10/960880510.db2.gz XZBICKOBYGUDBD-OAGGEKHMSA-N 1 1 292.467 3.358 20 30 CGEDMO C#CCCCCC(=O)N[C@H]1CC[N@H+](CCC)CC(C)(C)C1 ZINC001566129062 960894118 /nfs/dbraw/zinc/89/41/18/960894118.db2.gz AONQCQZIKVLVRZ-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC[N@H+](C)CCCNC(=O)c1ccc(CC(C)C)s1 ZINC001566462495 960935218 /nfs/dbraw/zinc/93/52/18/960935218.db2.gz WXDHUYQGAJWELY-UHFFFAOYSA-N 1 1 294.464 3.184 20 30 CGEDMO C=CCC[N@@H+](CC)CCCNC(=O)[C@H](C)C(C)(C)C ZINC001566555146 960948331 /nfs/dbraw/zinc/94/83/31/960948331.db2.gz QYFJEYSCQNRNKX-AWEZNQCLSA-N 1 1 268.445 3.073 20 30 CGEDMO C#CCC[N@@H+](CC)CCCNC(=O)[C@H](C)[C@H](C)C(C)(C)C ZINC001566568162 960949715 /nfs/dbraw/zinc/94/97/15/960949715.db2.gz CHPGUXAZBJRPOC-CVEARBPZSA-N 1 1 294.483 3.156 20 30 CGEDMO C=C(C)CC[N@@H+](CCCNC(=O)[C@H]1CC[C@H](F)C1)C1CC1 ZINC001566595886 960966995 /nfs/dbraw/zinc/96/69/95/960966995.db2.gz OPPPOOSOACXOTI-GJZGRUSLSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)CCCC[C@H](C)CC)C1 ZINC001566623564 960969957 /nfs/dbraw/zinc/96/99/57/960969957.db2.gz QMKFVAFGWFVLRJ-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)C2(CC)CC2)C1 ZINC001566628620 960979020 /nfs/dbraw/zinc/97/90/20/960979020.db2.gz AIVUZEOULBXQMA-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](C/C=C\c2ccccc2)C1 ZINC001566671282 960980201 /nfs/dbraw/zinc/98/02/01/960980201.db2.gz RUJXYQMRRVBEMO-NLZINVLXSA-N 1 1 298.430 3.103 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccsc2)C1 ZINC001566623295 960980337 /nfs/dbraw/zinc/98/03/37/960980337.db2.gz LFYOMIGXGITSLC-OAHLLOKOSA-N 1 1 292.448 3.185 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)CC)C1 ZINC001566732467 960997342 /nfs/dbraw/zinc/99/73/42/960997342.db2.gz UQKRLONLJVRAEA-INIZCTEOSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCN(C(=O)C(C)C)C1 ZINC001566737215 960998236 /nfs/dbraw/zinc/99/82/36/960998236.db2.gz YWSFRFYBCDUMDH-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)C=C2CCCCC2)C1 ZINC001566866750 961033845 /nfs/dbraw/zinc/03/38/45/961033845.db2.gz WPODLPVFSCRIAH-QGZVFWFLSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CCCC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001566956425 961068962 /nfs/dbraw/zinc/06/89/62/961068962.db2.gz AHGOOTUHIITPHV-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)/C(C)=C/CC)C1 ZINC001566957233 961079951 /nfs/dbraw/zinc/07/99/51/961079951.db2.gz DNYMAYWALSTGAG-XFCDKJKVSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]([N@H+](C)C[C@H](F)CC)C1 ZINC001567192857 961129410 /nfs/dbraw/zinc/12/94/10/961129410.db2.gz IXFDCZJJCYQYRT-HUUCEWRRSA-N 1 1 284.419 3.014 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[C@@H]([N@@H+](C)CCC(=C)C)C1 ZINC001567196408 961142301 /nfs/dbraw/zinc/14/23/01/961142301.db2.gz KJWKEFCURVLXSD-IAGOWNOFSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)c1cc(C)co1 ZINC001567261674 961152590 /nfs/dbraw/zinc/15/25/90/961152590.db2.gz NIZPFRYEJCJBSJ-OAHLLOKOSA-N 1 1 290.407 3.139 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCNC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C ZINC001567291005 961260229 /nfs/dbraw/zinc/26/02/29/961260229.db2.gz BIXGSFDNHUHSLY-CVEARBPZSA-N 1 1 292.467 3.239 20 30 CGEDMO C=CCCC(=O)NCC[N@H+](CC)[C@@H](C)c1cccc(F)c1 ZINC001567327465 961277720 /nfs/dbraw/zinc/27/77/20/961277720.db2.gz PVJGYNGXYSHESO-AWEZNQCLSA-N 1 1 292.398 3.291 20 30 CGEDMO C=C(C)CC[N@H+](C)CCNC(=O)C[C@H](C)c1ccccc1 ZINC001567318042 961283346 /nfs/dbraw/zinc/28/33/46/961283346.db2.gz GOILXGWTEWWRIH-INIZCTEOSA-N 1 1 288.435 3.194 20 30 CGEDMO C=CC1(CC(=O)NCC[N@H+](C)CCCC)CCCCC1 ZINC001567308833 961283854 /nfs/dbraw/zinc/28/38/54/961283854.db2.gz CVDHMRYBKYYMIH-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)[C@@H]1CCC=CCCC1 ZINC001567336264 961297258 /nfs/dbraw/zinc/29/72/58/961297258.db2.gz USHNUONOGKFLHR-MRXNPFEDSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)CC(C)C ZINC001567383630 961302551 /nfs/dbraw/zinc/30/25/51/961302551.db2.gz STCFTWWMUMXTJL-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+]1CCCC(C)C ZINC001567377006 961307011 /nfs/dbraw/zinc/30/70/11/961307011.db2.gz SEBHZTBLUGTAEC-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CNC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001567420991 961328680 /nfs/dbraw/zinc/32/86/80/961328680.db2.gz HYZPZZKWKSWKSZ-CQSZACIVSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)c1ccc(Cl)c(F)c1 ZINC001567434563 961338997 /nfs/dbraw/zinc/33/89/97/961338997.db2.gz GBRYDPNDMFKJRG-UHFFFAOYSA-N 1 1 298.789 3.107 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)C1CC(C)(C)C1)C(C)C ZINC001567639967 961378927 /nfs/dbraw/zinc/37/89/27/961378927.db2.gz QAVSTEBKLHOAGF-UHFFFAOYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)c1c(C)coc1C)C(C)C ZINC001567640118 961384532 /nfs/dbraw/zinc/38/45/32/961384532.db2.gz XIUHMRZNNLGMNZ-UHFFFAOYSA-N 1 1 292.423 3.303 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CC23CCCC3)C1 ZINC001567689160 961390803 /nfs/dbraw/zinc/39/08/03/961390803.db2.gz RLYPMOHMEABJPD-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC(C)(C)CC(=O)NCC[C@H]1CC[N@H+](C[C@H](C)CC)C1 ZINC001567701272 961404793 /nfs/dbraw/zinc/40/47/93/961404793.db2.gz GHKDJNRVSKGPPE-CVEARBPZSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)CC2(C)CCCC2)C1 ZINC001567910262 961452218 /nfs/dbraw/zinc/45/22/18/961452218.db2.gz GJMZUDQXONWMES-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2C)C1 ZINC001567890420 961456713 /nfs/dbraw/zinc/45/67/13/961456713.db2.gz PZTXNINFSYFRED-IAGOWNOFSA-N 1 1 298.430 3.050 20 30 CGEDMO C=CCCCC(=O)N(C)[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001567921512 961459388 /nfs/dbraw/zinc/45/93/88/961459388.db2.gz ZNVIXUQOMKWJAO-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)CC2CC(C)(C)C2)C1 ZINC001567920981 961461677 /nfs/dbraw/zinc/46/16/77/961461677.db2.gz OSJADCPWJVQMQB-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CCC(=O)N(CC)[C@@H]1CC[N@@H+](CC[C@H](C)F)C1 ZINC001567938981 961462145 /nfs/dbraw/zinc/46/21/45/961462145.db2.gz MMUVJOWCIXDLQG-LSDHHAIUSA-N 1 1 284.419 3.014 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H](CC)SC)C1 ZINC001567936119 961464651 /nfs/dbraw/zinc/46/46/51/961464651.db2.gz OJMOMSLWENTFMF-HUUCEWRRSA-N 1 1 298.496 3.017 20 30 CGEDMO C=CCCC(=O)N1CCC(CC[N@H+](C)CCCC)CC1 ZINC001568435819 961572425 /nfs/dbraw/zinc/57/24/25/961572425.db2.gz RNZCWQQRFAIBGM-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CCC2CC2)C1 ZINC001568512851 961602496 /nfs/dbraw/zinc/60/24/96/961602496.db2.gz CPCKNJMUVSDQAA-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)C1(CC)CCCCC1 ZINC001568551693 961612900 /nfs/dbraw/zinc/61/29/00/961612900.db2.gz OVCSKQPZJJKYCJ-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)[C@H](C)c1cccc(C)c1 ZINC001569141107 961695471 /nfs/dbraw/zinc/69/54/71/961695471.db2.gz KMRMDYDGTWPSFS-JKSUJKDBSA-N 1 1 288.435 3.111 20 30 CGEDMO C=CCC1(C(=O)N[C@H](C)C[N@H+](C)CCC(C)C)CCC1 ZINC001569136587 961699915 /nfs/dbraw/zinc/69/99/15/961699915.db2.gz VLFOVSCBMLEWHP-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)c1ccc(Cl)o1 ZINC001569347297 961743078 /nfs/dbraw/zinc/74/30/78/961743078.db2.gz YUXCGXPHKZFNNG-NEPJUHHUSA-N 1 1 296.798 3.092 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)CCC)C2)C1 ZINC001569477974 961777329 /nfs/dbraw/zinc/77/73/29/961777329.db2.gz DNVRYGZSNSFTQT-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)CCCCCC)C2)C1 ZINC001569481219 961778342 /nfs/dbraw/zinc/77/83/42/961778342.db2.gz RDHVPJOQTYYHGN-SFHVURJKSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CCCC(C)C)C2)C1 ZINC001569479469 961780291 /nfs/dbraw/zinc/78/02/91/961780291.db2.gz WWUUANALRBKZED-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)/C=C\C(C)(C)C)C1 ZINC001569631783 961810240 /nfs/dbraw/zinc/81/02/40/961810240.db2.gz HNJDTKKYNHJLHA-KMDWOBIYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@](C)(CNC(=O)/C(C)=C/CC)C1 ZINC001569710176 961824980 /nfs/dbraw/zinc/82/49/80/961824980.db2.gz OYRQDMUYIHEKTE-UDYBNVKDSA-N 1 1 298.858 3.314 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@](C)(CNC(=O)/C(C)=C/CC)C1 ZINC001569710176 961824999 /nfs/dbraw/zinc/82/49/99/961824999.db2.gz OYRQDMUYIHEKTE-UDYBNVKDSA-N 1 1 298.858 3.314 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)CCC(C)C)C1 ZINC001569710534 961832250 /nfs/dbraw/zinc/83/22/50/961832250.db2.gz VFXYFHOMUHZSSE-KRWDZBQOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CCC[N@H+](CC[C@H](C)F)CC1 ZINC001570177384 961916324 /nfs/dbraw/zinc/91/63/24/961916324.db2.gz KYBNPNURUYEJED-LSDHHAIUSA-N 1 1 284.419 3.062 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)c1ccsc1C ZINC001570197016 961921181 /nfs/dbraw/zinc/92/11/81/961921181.db2.gz UOUWZKLPMIXKBS-UHFFFAOYSA-N 1 1 280.437 3.027 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCN(C)C(=O)C1CC(C)C1 ZINC001570193848 961926496 /nfs/dbraw/zinc/92/64/96/961926496.db2.gz NSCSBUXLXLSKCQ-HWOWSKLDSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)c1ccc(CC)cc1 ZINC001570216539 961936985 /nfs/dbraw/zinc/93/69/85/961936985.db2.gz APDDQYKBHLVHHE-UHFFFAOYSA-N 1 1 288.435 3.219 20 30 CGEDMO C#CC[N@H+](C)CCCN(C)C(=O)C[C@@H]1CCCCC1(C)C ZINC001570218464 961938052 /nfs/dbraw/zinc/93/80/52/961938052.db2.gz UYDBCNZDDOHUSD-INIZCTEOSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)/C=C(\C)CC ZINC001570530238 961984133 /nfs/dbraw/zinc/98/41/33/961984133.db2.gz HCBLEJFYWCPPGY-STTHAQSSSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)C1CCC2(CC2)CC1 ZINC001570536945 961984871 /nfs/dbraw/zinc/98/48/71/961984871.db2.gz VYICJIVBVNKNGP-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCC[C@@H]1C[N@H+](C)CC(C)C ZINC001570533242 961989149 /nfs/dbraw/zinc/98/91/49/961989149.db2.gz XIVAWSWMFYJLNU-QGZVFWFLSA-N 1 1 292.467 3.334 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)C1(CC=C)CCCC1 ZINC001570549462 962001134 /nfs/dbraw/zinc/00/11/34/962001134.db2.gz YFDIBVQKMBPYIJ-MRXNPFEDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1CCCCC[N@H+]1CCCF ZINC001570826658 962091220 /nfs/dbraw/zinc/09/12/20/962091220.db2.gz AXPHBEXKMRWOOY-HNNXBMFYSA-N 1 1 298.446 3.309 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCC2(CN(C(=O)C3CCC3)C2)C1 ZINC001571029028 962121185 /nfs/dbraw/zinc/12/11/85/962121185.db2.gz SOCRWIKBDPEADM-HNNXBMFYSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@H](C)C2)CC1 ZINC001571333560 962137473 /nfs/dbraw/zinc/13/74/73/962137473.db2.gz VLYWKGFQESNSKF-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC(=O)N[C@]12CCC[C@H]1[N@@H+](CC/C=C/CC)CC2 ZINC001571497575 962166353 /nfs/dbraw/zinc/16/63/53/962166353.db2.gz SBYVRMZHILWFEW-XNSJLZHBSA-N 1 1 290.451 3.422 20 30 CGEDMO CC(C)CC[N@H+]1CCC[C@@H](NC(=O)C#CC(C)(C)C)[C@@H]1C ZINC001571518971 962173595 /nfs/dbraw/zinc/17/35/95/962173595.db2.gz MPYIKSHLGWWXGP-JKSUJKDBSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CC[N@H+](C[C@H]1CC(F)(F)CN1)CC1CCCCC1 ZINC001574927048 962334174 /nfs/dbraw/zinc/33/41/74/962334174.db2.gz CMMIQXSBPNQZJI-CQSZACIVSA-N 1 1 272.383 3.052 20 30 CGEDMO C=CCCCC[N@H+](CCC)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001588595920 963283740 /nfs/dbraw/zinc/28/37/40/963283740.db2.gz AFQSHRLIEPYEPN-UHFFFAOYSA-N 1 1 299.422 3.435 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000589823064 346813358 /nfs/dbraw/zinc/81/33/58/346813358.db2.gz XZAODFUPTSSFOW-YCPHGPKFSA-N 1 1 257.381 3.404 20 30 CGEDMO CCOc1ccc([C@H](C)[NH2+]C[C@@H](C#N)CCC#N)cc1 ZINC000589839396 346814222 /nfs/dbraw/zinc/81/42/22/346814222.db2.gz CNTSASJVUCPIGW-UONOGXRCSA-N 1 1 271.364 3.179 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000590208329 346836704 /nfs/dbraw/zinc/83/67/04/346836704.db2.gz CVZCQNZOTSXKBZ-SFHVURJKSA-N 1 1 284.403 3.258 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000590593825 346852922 /nfs/dbraw/zinc/85/29/22/346852922.db2.gz JEMDZNYFHCBKHF-SJLPKXTDSA-N 1 1 286.419 3.465 20 30 CGEDMO C=CCC[C@H]([NH2+][C@@H](C)CC1CCC1)C(=O)OCC ZINC000590661507 346860574 /nfs/dbraw/zinc/86/05/74/346860574.db2.gz FKCYZZLLVWSRTJ-JSGCOSHPSA-N 1 1 253.386 3.053 20 30 CGEDMO C=CCOc1cccc(C[N@H+](CC)[C@H]2CCCOC2)c1 ZINC000651947609 398310359 /nfs/dbraw/zinc/31/03/59/398310359.db2.gz OLUNJOUTWSJTDN-INIZCTEOSA-N 1 1 275.392 3.252 20 30 CGEDMO CC(C)C[C@@]1(C)CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000590749382 346871853 /nfs/dbraw/zinc/87/18/53/346871853.db2.gz ZRRTUSNFHGBBTF-MRXNPFEDSA-N 1 1 257.381 3.354 20 30 CGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@H](C2CCC2)C1 ZINC000591062254 346898259 /nfs/dbraw/zinc/89/82/59/346898259.db2.gz ZRXWONHXSRGBDD-BBRMVZONSA-N 1 1 297.402 3.007 20 30 CGEDMO COCCCC[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000591381035 346919061 /nfs/dbraw/zinc/91/90/61/346919061.db2.gz XZCJWDZGCGXQAA-UHFFFAOYSA-N 1 1 274.408 3.346 20 30 CGEDMO CC[C@H]([NH2+][C@@H](C)c1ccn(C)n1)c1ccc(C#N)cc1 ZINC000414184850 529653407 /nfs/dbraw/zinc/65/34/07/529653407.db2.gz OLWOOZUQVVGYCI-WFASDCNBSA-N 1 1 268.364 3.094 20 30 CGEDMO C=C(C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623381307 349795375 /nfs/dbraw/zinc/79/53/75/349795375.db2.gz NAGWDVWPVUBTDK-MRXNPFEDSA-N 1 1 258.409 3.162 20 30 CGEDMO C=C(CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623381307 349795377 /nfs/dbraw/zinc/79/53/77/349795377.db2.gz NAGWDVWPVUBTDK-MRXNPFEDSA-N 1 1 258.409 3.162 20 30 CGEDMO C=C(CN[C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623381307 349795384 /nfs/dbraw/zinc/79/53/84/349795384.db2.gz NAGWDVWPVUBTDK-MRXNPFEDSA-N 1 1 258.409 3.162 20 30 CGEDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1ccncc1C#N ZINC000592071526 346960412 /nfs/dbraw/zinc/96/04/12/346960412.db2.gz JUAYNWVCSMMELV-RDTXWAMCSA-N 1 1 277.371 3.331 20 30 CGEDMO N#Cc1cnccc1C[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000592079768 346961451 /nfs/dbraw/zinc/96/14/51/346961451.db2.gz GMUPRDLOASYJNZ-UHFFFAOYSA-N 1 1 281.334 3.261 20 30 CGEDMO CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150784 346966848 /nfs/dbraw/zinc/96/68/48/346966848.db2.gz IYCHXTNFGNXROT-GJZGRUSLSA-N 1 1 278.783 3.142 20 30 CGEDMO N#CCCC[C@H]([NH2+]Cc1ccncc1C#N)c1ccccc1 ZINC000592122216 346964927 /nfs/dbraw/zinc/96/49/27/346964927.db2.gz ICVJMZAJJKJFCD-SFHVURJKSA-N 1 1 290.370 3.478 20 30 CGEDMO C=C(C)[C@H](CO)S[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000592354518 346978052 /nfs/dbraw/zinc/97/80/52/346978052.db2.gz JSSDZUYTPQHOOC-IRXDYDNUSA-N 1 1 291.460 3.321 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1cc2n(n1)CCCC2 ZINC000592391394 346981492 /nfs/dbraw/zinc/98/14/92/346981492.db2.gz BWOGDXTVALZWPP-AWEZNQCLSA-N 1 1 294.402 3.136 20 30 CGEDMO CC(C)(C)C[C@@H]1CCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000592500540 346993763 /nfs/dbraw/zinc/99/37/63/346993763.db2.gz VFJITRJWCDXPCI-HNNXBMFYSA-N 1 1 297.406 3.002 20 30 CGEDMO N#Cc1cccc(-c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000592989341 347024572 /nfs/dbraw/zinc/02/45/72/347024572.db2.gz RYKUXECMSYHWOT-UHFFFAOYSA-N 1 1 278.355 3.057 20 30 CGEDMO CC[C@H](OCC[N@H+](C)C[C@@H](C)C#N)c1ccccc1 ZINC000593007046 347026540 /nfs/dbraw/zinc/02/65/40/347026540.db2.gz JAUQAQJMMQHOLI-HOCLYGCPSA-N 1 1 260.381 3.246 20 30 CGEDMO CC[C@H](OCC[N@@H+](C)C[C@@H](C)C#N)c1ccccc1 ZINC000593007046 347026542 /nfs/dbraw/zinc/02/65/42/347026542.db2.gz JAUQAQJMMQHOLI-HOCLYGCPSA-N 1 1 260.381 3.246 20 30 CGEDMO COc1ccc(C[C@@H]2CCCC[N@@H+]2CCC#N)cc1 ZINC000593082474 347037396 /nfs/dbraw/zinc/03/73/96/347037396.db2.gz KQSRFOKZQWXXTI-HNNXBMFYSA-N 1 1 258.365 3.006 20 30 CGEDMO COc1ccc(C[C@@H]2CCCC[N@H+]2CCC#N)cc1 ZINC000593082474 347037401 /nfs/dbraw/zinc/03/74/01/347037401.db2.gz KQSRFOKZQWXXTI-HNNXBMFYSA-N 1 1 258.365 3.006 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593115816 347041557 /nfs/dbraw/zinc/04/15/57/347041557.db2.gz FPTHUITZXKSFGN-CQSZACIVSA-N 1 1 262.303 3.098 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)s1)C1CC(OC(C)(C)C)C1 ZINC000421378677 529984015 /nfs/dbraw/zinc/98/40/15/529984015.db2.gz VTGQUKOOXUAPTN-UHFFFAOYSA-N 1 1 278.421 3.398 20 30 CGEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1cccc2c[nH]nc21 ZINC000329226332 530052404 /nfs/dbraw/zinc/05/24/04/530052404.db2.gz AHTOKTRJUGPTFS-CYBMUJFWSA-N 1 1 286.379 3.415 20 30 CGEDMO C=CC[NH+](CC=C)CC(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000045914531 345031952 /nfs/dbraw/zinc/03/19/52/345031952.db2.gz LYGGDPKHVFLYDU-CQSZACIVSA-N 1 1 290.382 3.019 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1ccccc1)Cc1ccc(C#N)cc1 ZINC000046529049 345040593 /nfs/dbraw/zinc/04/05/93/345040593.db2.gz AGDUBPCXKQRVCT-UHFFFAOYSA-N 1 1 293.370 3.019 20 30 CGEDMO C[N@@H+](CCOc1cccc(C#N)c1)C(C1CC1)C1CC1 ZINC000050965688 345086174 /nfs/dbraw/zinc/08/61/74/345086174.db2.gz OMQBOVOXJYKDQF-UHFFFAOYSA-N 1 1 270.376 3.057 20 30 CGEDMO CC[NH+](CC)CC1CCN(Cc2ccccc2C#N)CC1 ZINC000047976616 345057869 /nfs/dbraw/zinc/05/78/69/345057869.db2.gz TVPWFHGLVVHIOL-UHFFFAOYSA-N 1 1 285.435 3.112 20 30 CGEDMO Cc1cccc(OCC[N@@H+](C)Cc2ccccc2C#N)c1 ZINC000053421300 345120320 /nfs/dbraw/zinc/12/03/20/345120320.db2.gz JRIYSSSJVPHNFN-UHFFFAOYSA-N 1 1 280.371 3.378 20 30 CGEDMO Cc1cccc(OCC[N@H+](C)Cc2ccccc2C#N)c1 ZINC000053421300 345120321 /nfs/dbraw/zinc/12/03/21/345120321.db2.gz JRIYSSSJVPHNFN-UHFFFAOYSA-N 1 1 280.371 3.378 20 30 CGEDMO C[N@@H+](CCCCC#N)CCOc1ccc(Cl)cc1 ZINC000058340400 345193981 /nfs/dbraw/zinc/19/39/81/345193981.db2.gz YDIAJSYHUYAXOI-UHFFFAOYSA-N 1 1 266.772 3.344 20 30 CGEDMO N#CCCCC[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000066898898 345309670 /nfs/dbraw/zinc/30/96/70/345309670.db2.gz QFSZRJSYJBQRGF-OAHLLOKOSA-N 1 1 286.375 3.289 20 30 CGEDMO C=CCNC(=O)C[N@H+](CC1CCC1)[C@@H](C)c1ccccc1 ZINC000077372168 345571314 /nfs/dbraw/zinc/57/13/14/345571314.db2.gz DHDNPZLWLWAKRN-HNNXBMFYSA-N 1 1 286.419 3.152 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)Cc1ncc(CC)o1 ZINC000075673981 345518015 /nfs/dbraw/zinc/51/80/15/345518015.db2.gz UMLAXBNKOKRECZ-UHFFFAOYSA-N 1 1 270.376 3.468 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1ncc(CC)o1 ZINC000075673981 345518017 /nfs/dbraw/zinc/51/80/17/345518017.db2.gz UMLAXBNKOKRECZ-UHFFFAOYSA-N 1 1 270.376 3.468 20 30 CGEDMO CCC[N@@H+](C)C[C@@H]1CCN(c2cc(Cl)ccc2C#N)C1 ZINC000078562452 345613311 /nfs/dbraw/zinc/61/33/11/345613311.db2.gz CCLCTYFDGXWLAE-ZDUSSCGKSA-N 1 1 291.826 3.380 20 30 CGEDMO C=CCCC[C@@H](C)[N@@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000091626718 345819244 /nfs/dbraw/zinc/81/92/44/345819244.db2.gz YWXMLJVJWSCFCF-CYBMUJFWSA-N 1 1 286.379 3.308 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@H](C)[C@@H]2C)c1C#N ZINC000091071867 345803356 /nfs/dbraw/zinc/80/33/56/345803356.db2.gz LRJMGZBTYUKBHB-ZFWWWQNUSA-N 1 1 294.402 3.283 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@H](C)[C@@H]2C)c1C#N ZINC000091071867 345803359 /nfs/dbraw/zinc/80/33/59/345803359.db2.gz LRJMGZBTYUKBHB-ZFWWWQNUSA-N 1 1 294.402 3.283 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1CC[C@H](C)C1 ZINC000092902999 345862007 /nfs/dbraw/zinc/86/20/07/345862007.db2.gz AKOCDTLKFWJJRS-WMLDXEAASA-N 1 1 272.392 3.195 20 30 CGEDMO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000092063916 345829410 /nfs/dbraw/zinc/82/94/10/345829410.db2.gz BCOFGQFGZKVYHJ-SJKOYZFVSA-N 1 1 298.411 3.444 20 30 CGEDMO CCOC(=O)CC[C@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000092094136 345829896 /nfs/dbraw/zinc/82/98/96/345829896.db2.gz GVQAVDSVXCVPPE-OAHLLOKOSA-N 1 1 294.439 3.372 20 30 CGEDMO C#CC[N@@H+](Cc1cnc(C2CC2)s1)C1CCCC1 ZINC000093819840 345888121 /nfs/dbraw/zinc/88/81/21/345888121.db2.gz SGFWRYOHXGUXOZ-UHFFFAOYSA-N 1 1 260.406 3.398 20 30 CGEDMO N#CCC[N@@H+](CC1CC1)C[C@H]1C[C@H]1c1ccccc1 ZINC000093091411 345869038 /nfs/dbraw/zinc/86/90/38/345869038.db2.gz LCJQSUZGAVFNKY-SJORKVTESA-N 1 1 254.377 3.416 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+](C)Cc1ccsc1 ZINC000120576211 345998056 /nfs/dbraw/zinc/99/80/56/345998056.db2.gz JQCWWUOURZBTQK-UHFFFAOYSA-N 1 1 272.373 3.260 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)Cc1ccsc1 ZINC000120576211 345998059 /nfs/dbraw/zinc/99/80/59/345998059.db2.gz JQCWWUOURZBTQK-UHFFFAOYSA-N 1 1 272.373 3.260 20 30 CGEDMO C=CCCCN(C)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000125423997 346016741 /nfs/dbraw/zinc/01/67/41/346016741.db2.gz ROHPRODXUZJPHU-HNNXBMFYSA-N 1 1 295.471 3.105 20 30 CGEDMO C[N@@H+](CCOc1cccc(C#N)c1)C1Cc2ccccc2C1 ZINC000141300220 346107617 /nfs/dbraw/zinc/10/76/17/346107617.db2.gz ABHGBDDIVHYCKQ-UHFFFAOYSA-N 1 1 292.382 3.036 20 30 CGEDMO C[N@@H+](Cc1ccsc1)Cc1ccc(F)c(C#N)c1 ZINC000160571426 346171646 /nfs/dbraw/zinc/17/16/46/346171646.db2.gz SGHMRJGSZWNAFZ-UHFFFAOYSA-N 1 1 260.337 3.391 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000172178827 346216808 /nfs/dbraw/zinc/21/68/08/346216808.db2.gz OHKMSXSNMGUTAD-AWEZNQCLSA-N 1 1 282.428 3.141 20 30 CGEDMO Cn1nc(C[N@H+](C)Cc2cccc(C#N)c2)c2ccccc21 ZINC000316237266 346484951 /nfs/dbraw/zinc/48/49/51/346484951.db2.gz CEFDZBCLTYUYFM-UHFFFAOYSA-N 1 1 290.370 3.077 20 30 CGEDMO Cn1nc(C[N@@H+](C)Cc2cccc(C#N)c2)c2ccccc21 ZINC000316237266 346484953 /nfs/dbraw/zinc/48/49/53/346484953.db2.gz CEFDZBCLTYUYFM-UHFFFAOYSA-N 1 1 290.370 3.077 20 30 CGEDMO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccnc(C#N)c1 ZINC000312367847 346476952 /nfs/dbraw/zinc/47/69/52/346476952.db2.gz PFYSYHRWSDXVOP-LBPRGKRZSA-N 1 1 283.297 3.116 20 30 CGEDMO Cc1cc(C#N)ccc1Cn1c[nH+]c2c1C[C@@H](C)[C@@H](C)C2 ZINC000315676145 346483924 /nfs/dbraw/zinc/48/39/24/346483924.db2.gz ZMTXYFXTMPMLPL-QWHCGFSZSA-N 1 1 279.387 3.482 20 30 CGEDMO C[C@]1(c2ccccc2)CCC[N@@H+](CC2(C#N)CC2)C1 ZINC000343313435 346506002 /nfs/dbraw/zinc/50/60/02/346506002.db2.gz HZXAQBXLHXNYDW-INIZCTEOSA-N 1 1 254.377 3.344 20 30 CGEDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1(C#N)CCCC1 ZINC000593653538 347099993 /nfs/dbraw/zinc/09/99/93/347099993.db2.gz PPVSTCCRPKBYBE-UHFFFAOYSA-N 1 1 273.336 3.077 20 30 CGEDMO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NCC2(C#N)CCCC2)C1 ZINC000593653753 347100405 /nfs/dbraw/zinc/10/04/05/347100405.db2.gz WNCKRMXGWMWJNL-FUHWJXTLSA-N 1 1 297.446 3.495 20 30 CGEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NCC2(C#N)CCCC2)C1 ZINC000593653753 347100407 /nfs/dbraw/zinc/10/04/07/347100407.db2.gz WNCKRMXGWMWJNL-FUHWJXTLSA-N 1 1 297.446 3.495 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccnn2-c2ccccc2)CCCC1 ZINC000593655130 347101143 /nfs/dbraw/zinc/10/11/43/347101143.db2.gz XXTRIDBANAXALH-UHFFFAOYSA-N 1 1 280.375 3.046 20 30 CGEDMO CC(C)N(C)c1ccc(C[NH2+]CC2(C#N)CCCC2)cn1 ZINC000593654540 347101366 /nfs/dbraw/zinc/10/13/66/347101366.db2.gz GKOYWQISGMZINM-UHFFFAOYSA-N 1 1 286.423 3.100 20 30 CGEDMO CCC[C@@]1(CO)CC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411744022 346607128 /nfs/dbraw/zinc/60/71/28/346607128.db2.gz GKNMJJBUIPBFKL-QGZVFWFLSA-N 1 1 278.440 3.335 20 30 CGEDMO N#CC1(CC[N@H+]2CCC[C@]23CCOC3)CCCCC1 ZINC000411762400 346607153 /nfs/dbraw/zinc/60/71/53/346607153.db2.gz BLXLKXRVKGMFHO-MRXNPFEDSA-N 1 1 262.397 3.105 20 30 CGEDMO C=CCCCC[N@@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000571512756 346667412 /nfs/dbraw/zinc/66/74/12/346667412.db2.gz XGOBQQQSZSADBP-CYBMUJFWSA-N 1 1 278.362 3.159 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1nc2ccc(Br)cc2o1 ZINC000491688531 346629542 /nfs/dbraw/zinc/62/95/42/346629542.db2.gz BYMBYKMWFILTGO-SECBINFHSA-N 1 1 293.164 3.044 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1nc2ccc(Br)cc2o1 ZINC000491688531 346629546 /nfs/dbraw/zinc/62/95/46/346629546.db2.gz BYMBYKMWFILTGO-SECBINFHSA-N 1 1 293.164 3.044 20 30 CGEDMO C=C1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000520850759 346639591 /nfs/dbraw/zinc/63/95/91/346639591.db2.gz WAXMFQBIBQXVNY-UHFFFAOYSA-N 1 1 251.757 3.371 20 30 CGEDMO Cc1cc([C@@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)no1 ZINC000585726628 346727729 /nfs/dbraw/zinc/72/77/29/346727729.db2.gz UJPNEVZQKVNQSE-IAQYHMDHSA-N 1 1 267.332 3.193 20 30 CGEDMO Cc1cc([C@H](C)[NH2+]Cc2ccc(C#N)c(Cl)c2)nn1C ZINC000585726467 346727955 /nfs/dbraw/zinc/72/79/55/346727955.db2.gz GQPPSRJQDSAOBM-NSHDSACASA-N 1 1 288.782 3.104 20 30 CGEDMO CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)CC(C)(C)CCC#N ZINC000593696436 347104576 /nfs/dbraw/zinc/10/45/76/347104576.db2.gz FIZDMCFPJWMMBG-ZDUSSCGKSA-N 1 1 282.428 3.368 20 30 CGEDMO N#CCSCCC[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000080628870 260316895 /nfs/dbraw/zinc/31/68/95/260316895.db2.gz FXTOOUHUUNTMIQ-OAHLLOKOSA-N 1 1 292.473 3.423 20 30 CGEDMO CC(C)[N@@H+](C)C[C@H](C)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594516878 347186682 /nfs/dbraw/zinc/18/66/82/347186682.db2.gz HAXWGNUIVYIYKU-HNNXBMFYSA-N 1 1 287.451 3.306 20 30 CGEDMO CC(C)[N@H+](C)C[C@H](C)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594516878 347186686 /nfs/dbraw/zinc/18/66/86/347186686.db2.gz HAXWGNUIVYIYKU-HNNXBMFYSA-N 1 1 287.451 3.306 20 30 CGEDMO N#CC1(C[NH2+]Cc2cccc3c2OCCO3)CCCCC1 ZINC000594995430 347252195 /nfs/dbraw/zinc/25/21/95/347252195.db2.gz PZISAUDACYWGRI-UHFFFAOYSA-N 1 1 286.375 3.021 20 30 CGEDMO C=CC[N@@H+](CCCSCC#N)Cc1cccc(C#N)c1 ZINC000080627581 260317470 /nfs/dbraw/zinc/31/74/70/260317470.db2.gz ZDKBKKZBSKRSHU-UHFFFAOYSA-N 1 1 285.416 3.193 20 30 CGEDMO CCC[N@@H+](C)CC(C)(C)NCc1ccc(C#N)c(C)c1 ZINC000595001723 347252575 /nfs/dbraw/zinc/25/25/75/347252575.db2.gz WGFCJYNZCCHLDK-UHFFFAOYSA-N 1 1 273.424 3.077 20 30 CGEDMO CCCN(C)CC(C)(C)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000595001723 347252576 /nfs/dbraw/zinc/25/25/76/347252576.db2.gz WGFCJYNZCCHLDK-UHFFFAOYSA-N 1 1 273.424 3.077 20 30 CGEDMO C[C@H]1C[C@@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)c2nccn21 ZINC000594961683 347242578 /nfs/dbraw/zinc/24/25/78/347242578.db2.gz XZVISFLAMUXJQH-XJKSGUPXSA-N 1 1 292.386 3.234 20 30 CGEDMO COc1cccc(OC)c1C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000594966354 347244734 /nfs/dbraw/zinc/24/47/34/347244734.db2.gz HQHGDBRYLDSZOE-UHFFFAOYSA-N 1 1 296.370 3.174 20 30 CGEDMO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1(C#N)CCCCC1 ZINC000594980842 347247714 /nfs/dbraw/zinc/24/77/14/347247714.db2.gz BVOHUGNSUFGIKN-UHFFFAOYSA-N 1 1 287.363 3.467 20 30 CGEDMO Cc1ccc2ncc(C[NH2+]CC3(C#N)CCCCC3)n2c1 ZINC000594981455 347248739 /nfs/dbraw/zinc/24/87/39/347248739.db2.gz QKBBIZUJROSHEH-UHFFFAOYSA-N 1 1 282.391 3.206 20 30 CGEDMO CC[N@H+](CCc1nsc2ccccc21)C[C@H](C)C#N ZINC000595299464 347289317 /nfs/dbraw/zinc/28/93/17/347289317.db2.gz ZVRYHNXQGJYGEF-GFCCVEGCSA-N 1 1 273.405 3.320 20 30 CGEDMO CC[N@@H+](CCc1nsc2ccccc21)C[C@H](C)C#N ZINC000595299464 347289318 /nfs/dbraw/zinc/28/93/18/347289318.db2.gz ZVRYHNXQGJYGEF-GFCCVEGCSA-N 1 1 273.405 3.320 20 30 CGEDMO N#CCC[N@H+](CCc1nsc2ccccc21)CC1CC1 ZINC000595336042 347293857 /nfs/dbraw/zinc/29/38/57/347293857.db2.gz ZFVAATGGJSWEHU-UHFFFAOYSA-N 1 1 285.416 3.464 20 30 CGEDMO N#CCC[N@@H+](CCc1nsc2ccccc21)CC1CC1 ZINC000595336042 347293860 /nfs/dbraw/zinc/29/38/60/347293860.db2.gz ZFVAATGGJSWEHU-UHFFFAOYSA-N 1 1 285.416 3.464 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCO[C@@H](c3cccs3)C2)cc1 ZINC000595346168 347294536 /nfs/dbraw/zinc/29/45/36/347294536.db2.gz GEHQXPWUDSCPQF-MRXNPFEDSA-N 1 1 298.411 3.236 20 30 CGEDMO Cc1cc(C2CC[NH+](CCc3ccc(C#N)cc3)CC2)n[nH]1 ZINC000595408956 347299099 /nfs/dbraw/zinc/29/90/99/347299099.db2.gz FXWMCFVPEKUMNT-UHFFFAOYSA-N 1 1 294.402 3.012 20 30 CGEDMO N#Cc1cccc(C2([NH2+]Cc3cc(C4CC4)no3)CC2)c1 ZINC000595416687 347300388 /nfs/dbraw/zinc/30/03/88/347300388.db2.gz JHDQDIHUXWNPGK-UHFFFAOYSA-N 1 1 279.343 3.203 20 30 CGEDMO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)OC(C)(C)C ZINC000595603548 347324978 /nfs/dbraw/zinc/32/49/78/347324978.db2.gz OGFGKZSSIUJBLX-STQMWFEESA-N 1 1 253.386 3.053 20 30 CGEDMO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595609751 347326156 /nfs/dbraw/zinc/32/61/56/347326156.db2.gz ORGOEDXVXOAEOC-OLZOCXBDSA-N 1 1 273.336 3.281 20 30 CGEDMO C[C@@H]1CCCC[C@H]1OCC[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595611535 347326210 /nfs/dbraw/zinc/32/62/10/347326210.db2.gz KIOWPIYYRLHOAF-OWCLPIDISA-N 1 1 264.413 3.207 20 30 CGEDMO C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595611536 347326241 /nfs/dbraw/zinc/32/62/41/347326241.db2.gz KIOWPIYYRLHOAF-PMPSAXMXSA-N 1 1 264.413 3.207 20 30 CGEDMO COCC[C@@H](c1ccccc1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595621512 347328640 /nfs/dbraw/zinc/32/86/40/347328640.db2.gz VTHIXWZUICFJOR-WBVHZDCISA-N 1 1 272.392 3.390 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595623102 347329574 /nfs/dbraw/zinc/32/95/74/347329574.db2.gz HMELHIHTPNOUAF-KBPBESRZSA-N 1 1 253.349 3.245 20 30 CGEDMO N#Cc1cnccc1C[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000595738706 347348644 /nfs/dbraw/zinc/34/86/44/347348644.db2.gz NLIYSTYTYGKGPH-INIZCTEOSA-N 1 1 269.392 3.355 20 30 CGEDMO COc1ccc([C@@H]2CCC[N@H+]2CCCC#N)cc1F ZINC000595754125 347350177 /nfs/dbraw/zinc/35/01/77/347350177.db2.gz UVKXKRJNDMKKRQ-AWEZNQCLSA-N 1 1 262.328 3.275 20 30 CGEDMO CCC1(CC)CCC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000595753454 347350418 /nfs/dbraw/zinc/35/04/18/347350418.db2.gz ULOGBYXGPLIXES-UHFFFAOYSA-N 1 1 257.381 3.355 20 30 CGEDMO C=CC[N@H+](Cc1ccc(C(=O)OCC)cn1)C(C)(C)C ZINC000595766662 347353582 /nfs/dbraw/zinc/35/35/82/347353582.db2.gz YNYPJDLRUGYDKQ-UHFFFAOYSA-N 1 1 276.380 3.045 20 30 CGEDMO CC[N@@H+](CCc1ccc(C#N)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000595491178 347311564 /nfs/dbraw/zinc/31/15/64/347311564.db2.gz UKONISOPJYJYBQ-QGZVFWFLSA-N 1 1 286.419 3.380 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@@H]1COc1ccc(C#N)cc1F ZINC000596266740 347407666 /nfs/dbraw/zinc/40/76/66/347407666.db2.gz VABMGIOTNMDQBD-CQSZACIVSA-N 1 1 276.355 3.339 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)ccc1F ZINC000595830657 347361886 /nfs/dbraw/zinc/36/18/86/347361886.db2.gz GRWLECUDCQCTAY-QGZVFWFLSA-N 1 1 296.345 3.351 20 30 CGEDMO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H](C3CCC3)C2)c1 ZINC000595839550 347364240 /nfs/dbraw/zinc/36/42/40/347364240.db2.gz ZQNZQMGYKYNPHC-INIZCTEOSA-N 1 1 297.402 3.009 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](CCSCc2ccccc2)C1 ZINC000595843186 347366698 /nfs/dbraw/zinc/36/66/98/347366698.db2.gz IYEHXQJOBWKDNM-OAHLLOKOSA-N 1 1 260.406 3.155 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](CCSCc2ccccc2)C1 ZINC000595843186 347366701 /nfs/dbraw/zinc/36/67/01/347366701.db2.gz IYEHXQJOBWKDNM-OAHLLOKOSA-N 1 1 260.406 3.155 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1OC ZINC000595845447 347367013 /nfs/dbraw/zinc/36/70/13/347367013.db2.gz ODMPXYOZVMDZRZ-IYBDPMFKSA-N 1 1 268.360 3.250 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](c2ncc(C(=O)OC)s2)C1 ZINC000595913387 347372605 /nfs/dbraw/zinc/37/26/05/347372605.db2.gz SZWDRYSKMVXPOB-LBPRGKRZSA-N 1 1 294.420 3.075 20 30 CGEDMO CCOc1ccc(C[N@H+](CC)C[C@@H](C)C#N)c(C)c1 ZINC000596990907 347524559 /nfs/dbraw/zinc/52/45/59/347524559.db2.gz GQNUVVRAUDHOKU-ZDUSSCGKSA-N 1 1 260.381 3.375 20 30 CGEDMO CCOc1ccc(C[N@@H+](CC)C[C@@H](C)C#N)c(C)c1 ZINC000596990907 347524560 /nfs/dbraw/zinc/52/45/60/347524560.db2.gz GQNUVVRAUDHOKU-ZDUSSCGKSA-N 1 1 260.381 3.375 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CCCO1 ZINC000597010885 347527682 /nfs/dbraw/zinc/52/76/82/347527682.db2.gz YIHNQXMSJCRCHR-UHFFFAOYSA-N 1 1 284.403 3.243 20 30 CGEDMO C[C@H](C#N)C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)C1CC1 ZINC000597025589 347528934 /nfs/dbraw/zinc/52/89/34/347528934.db2.gz FWTCKBGXCHZKNX-CQSZACIVSA-N 1 1 279.387 3.366 20 30 CGEDMO C[C@H](C#N)C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)C1CC1 ZINC000597025589 347528936 /nfs/dbraw/zinc/52/89/36/347528936.db2.gz FWTCKBGXCHZKNX-CQSZACIVSA-N 1 1 279.387 3.366 20 30 CGEDMO C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)CC1=CCCOC1 ZINC000597207234 347554406 /nfs/dbraw/zinc/55/44/06/347554406.db2.gz YZNYZQFLOLNMAO-UHFFFAOYSA-N 1 1 282.387 3.020 20 30 CGEDMO C[N@H+]1CC[C@@H]([NH2+][C@H]2CCc3cc(C#N)ccc32)CC1(C)C ZINC000598974368 347702244 /nfs/dbraw/zinc/70/22/44/347702244.db2.gz JFIQCSBXDBVGMY-WBVHZDCISA-N 1 1 283.419 3.008 20 30 CGEDMO CN1CC[C@@H]([NH2+][C@H]2CCc3cc(C#N)ccc32)CC1(C)C ZINC000598974368 347702246 /nfs/dbraw/zinc/70/22/46/347702246.db2.gz JFIQCSBXDBVGMY-WBVHZDCISA-N 1 1 283.419 3.008 20 30 CGEDMO C[N@@H+]1CC[C@@H](N[C@H]2CCc3cc(C#N)ccc32)CC1(C)C ZINC000598974368 347702248 /nfs/dbraw/zinc/70/22/48/347702248.db2.gz JFIQCSBXDBVGMY-WBVHZDCISA-N 1 1 283.419 3.008 20 30 CGEDMO C[N@H+]1CC[C@@H](N[C@H]2CCc3cc(C#N)ccc32)CC1(C)C ZINC000598974368 347702250 /nfs/dbraw/zinc/70/22/50/347702250.db2.gz JFIQCSBXDBVGMY-WBVHZDCISA-N 1 1 283.419 3.008 20 30 CGEDMO N#CCC1(C[NH2+]Cc2c(F)ccc(F)c2Cl)CC1 ZINC000598973619 347702255 /nfs/dbraw/zinc/70/22/55/347702255.db2.gz COQVQKQCNFMNIY-UHFFFAOYSA-N 1 1 270.710 3.402 20 30 CGEDMO N#Cc1cccc(C[NH2+][C@@H]2CCCc3scnc32)c1 ZINC000599019931 347706883 /nfs/dbraw/zinc/70/68/83/347706883.db2.gz PTVGVZRXRPWIDW-CYBMUJFWSA-N 1 1 269.373 3.182 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000598592280 347667625 /nfs/dbraw/zinc/66/76/25/347667625.db2.gz IQYBBBKFWMLESB-RDJZCZTQSA-N 1 1 276.424 3.109 20 30 CGEDMO C[C@@H]1c2c(F)cccc2CC[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598593569 347668618 /nfs/dbraw/zinc/66/86/18/347668618.db2.gz UYNMLBFHMBDQRW-OCCSQVGLSA-N 1 1 290.382 3.046 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@@H]1CC1CCCC1 ZINC000598621732 347672210 /nfs/dbraw/zinc/67/22/10/347672210.db2.gz CKNGVIOUHRJACF-HZPDHXFCSA-N 1 1 278.440 3.332 20 30 CGEDMO COc1cccc(C[N@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC000599676529 347764331 /nfs/dbraw/zinc/76/43/31/347764331.db2.gz UENUCAFUMANDEO-UHFFFAOYSA-N 1 1 292.382 3.320 20 30 CGEDMO COC(=O)CCCC[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000599274409 347731583 /nfs/dbraw/zinc/73/15/83/347731583.db2.gz SDECMPDRHHJWOY-UHFFFAOYSA-N 1 1 288.391 3.112 20 30 CGEDMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000599308585 347734418 /nfs/dbraw/zinc/73/44/18/347734418.db2.gz UVTLAXHXZRCAMY-KRWDZBQOSA-N 1 1 285.435 3.030 20 30 CGEDMO Cc1ccc(CN2CC[N@H+](C3CCC3)C[C@H](C)C2)cc1C#N ZINC000599425708 347742996 /nfs/dbraw/zinc/74/29/96/347742996.db2.gz NKJPAYWXQPMMAQ-OAHLLOKOSA-N 1 1 297.446 3.173 20 30 CGEDMO Cc1ccoc1C[N@H+](C)Cc1ccc(C)c(C#N)c1 ZINC000599425509 347743032 /nfs/dbraw/zinc/74/30/32/347743032.db2.gz KQRRTPLCDZMTCH-UHFFFAOYSA-N 1 1 254.333 3.400 20 30 CGEDMO CSC[C@H]1CCC[N@@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599426744 347743957 /nfs/dbraw/zinc/74/39/57/347743957.db2.gz OOPXQZCRGHKLME-HNNXBMFYSA-N 1 1 274.433 3.442 20 30 CGEDMO Cc1ccc(Cn2c[nH+]c3c2C[C@@H](C)[C@@H](C)C3)cc1C#N ZINC000599431908 347744868 /nfs/dbraw/zinc/74/48/68/347744868.db2.gz SVIISEDCHUQLIW-UONOGXRCSA-N 1 1 279.387 3.482 20 30 CGEDMO C[C@H]1C[NH+](Cc2ccc(C#N)cc2F)C[C@H](C)C1(F)F ZINC000599513091 347749221 /nfs/dbraw/zinc/74/92/21/347749221.db2.gz QSESRQKWAJLACP-QWRGUYRKSA-N 1 1 282.309 3.420 20 30 CGEDMO N#CCCC[N@@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000599516133 347749776 /nfs/dbraw/zinc/74/97/76/347749776.db2.gz OCQFNCUOPGNYKT-CYBMUJFWSA-N 1 1 264.319 3.448 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCCC(F)(F)CC2)ccc1F ZINC000599551274 347753888 /nfs/dbraw/zinc/75/38/88/347753888.db2.gz KNWXZVQUCULYGG-UHFFFAOYSA-N 1 1 268.282 3.319 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599587574 347755927 /nfs/dbraw/zinc/75/59/27/347755927.db2.gz FSMGCQUPVBGEDG-ZIAGYGMSSA-N 1 1 267.413 3.252 20 30 CGEDMO CC(C)n1cc(C[N@@H+]2CCc3c(CC#N)cccc3C2)cn1 ZINC000600212232 347793916 /nfs/dbraw/zinc/79/39/16/347793916.db2.gz AFUKJUATQJJUBZ-UHFFFAOYSA-N 1 1 294.402 3.088 20 30 CGEDMO CC(C)n1cc(C[N@H+]2CCc3c(CC#N)cccc3C2)cn1 ZINC000600212232 347793918 /nfs/dbraw/zinc/79/39/18/347793918.db2.gz AFUKJUATQJJUBZ-UHFFFAOYSA-N 1 1 294.402 3.088 20 30 CGEDMO Cc1ccc(CN(CCC[NH3+])Cc2ccccc2)cc1C#N ZINC000600709940 347829509 /nfs/dbraw/zinc/82/95/09/347829509.db2.gz LGWWKVQQADNZPV-UHFFFAOYSA-N 1 1 293.414 3.218 20 30 CGEDMO Cc1cc(C)c(C[S@](=O)Cc2ccc(C#N)cc2)c(C)[nH+]1 ZINC000600935761 347847849 /nfs/dbraw/zinc/84/78/49/347847849.db2.gz QRGGTJMRZXXTRP-OAQYLSRUSA-N 1 1 298.411 3.327 20 30 CGEDMO Cc1cn(Cc2ccc(C#N)cc2C(F)(F)F)c(C)[nH+]1 ZINC000601080695 347865204 /nfs/dbraw/zinc/86/52/04/347865204.db2.gz OWEQXKNVDDHUHD-UHFFFAOYSA-N 1 1 279.265 3.439 20 30 CGEDMO COCC[N@H+](Cc1cccs1)C[C@H](C)CCC#N ZINC000602430551 347955952 /nfs/dbraw/zinc/95/59/52/347955952.db2.gz BWSBJFIRKZYLNP-CYBMUJFWSA-N 1 1 266.410 3.136 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)n1)[C@@H]1CCCc2ccccc21 ZINC000602436619 347957207 /nfs/dbraw/zinc/95/72/07/347957207.db2.gz XWFBWMSVTNQMAL-GOSISDBHSA-N 1 1 277.371 3.463 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(=O)[nH]c1 ZINC000602443001 347958929 /nfs/dbraw/zinc/95/89/29/347958929.db2.gz FBKIIRBSGCOKKR-UHFFFAOYSA-N 1 1 281.359 3.071 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000602442090 347959445 /nfs/dbraw/zinc/95/94/45/347959445.db2.gz UGOBHCWYZFZLNN-NSHDSACASA-N 1 1 252.308 3.336 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000602457737 347960803 /nfs/dbraw/zinc/96/08/03/347960803.db2.gz CRFZTSQPZQGYJG-HIFRSBDPSA-N 1 1 286.375 3.492 20 30 CGEDMO CC[C@H]1c2ccccc2CC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602469857 347963831 /nfs/dbraw/zinc/96/38/31/347963831.db2.gz FHYJMUWVVBXECK-SFHVURJKSA-N 1 1 277.371 3.463 20 30 CGEDMO N#Cc1cccc(C[NH+]2CCC(c3ccccc3F)CC2)n1 ZINC000602477272 347965087 /nfs/dbraw/zinc/96/50/87/347965087.db2.gz IZVPXZCWPXMNHQ-UHFFFAOYSA-N 1 1 295.361 3.472 20 30 CGEDMO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602482948 347967140 /nfs/dbraw/zinc/96/71/40/347967140.db2.gz HNYJYDOCIOZZJF-KRWDZBQOSA-N 1 1 280.375 3.019 20 30 CGEDMO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602482948 347967142 /nfs/dbraw/zinc/96/71/42/347967142.db2.gz HNYJYDOCIOZZJF-KRWDZBQOSA-N 1 1 280.375 3.019 20 30 CGEDMO N#Cc1cccc(C[NH2+][C@@H]2CCSc3c(F)cccc32)n1 ZINC000602512152 347973784 /nfs/dbraw/zinc/97/37/84/347973784.db2.gz QSICHDFTNIHLTJ-OAHLLOKOSA-N 1 1 299.374 3.419 20 30 CGEDMO CC(C)COc1ccccc1C[NH2+]Cc1cccc(C#N)n1 ZINC000602518162 347974377 /nfs/dbraw/zinc/97/43/77/347974377.db2.gz LGPZAEBMXIGQCK-UHFFFAOYSA-N 1 1 295.386 3.278 20 30 CGEDMO C[C@H](CCC#N)C[NH2+][C@H](C)c1noc(Cc2ccccc2)n1 ZINC000602573113 347985511 /nfs/dbraw/zinc/98/55/11/347985511.db2.gz NTIHNCXXZIBLGF-ZIAGYGMSSA-N 1 1 298.390 3.251 20 30 CGEDMO N#CCCCN[C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602603571 347992089 /nfs/dbraw/zinc/99/20/89/347992089.db2.gz DIZSGRXDTNRLCW-SJLPKXTDSA-N 1 1 283.419 3.248 20 30 CGEDMO N#CCCCN[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000602603571 347992091 /nfs/dbraw/zinc/99/20/91/347992091.db2.gz DIZSGRXDTNRLCW-SJLPKXTDSA-N 1 1 283.419 3.248 20 30 CGEDMO CCC[C@H]([NH2+]C1CCC(C#N)CC1)C(=O)OC(C)(C)C ZINC000602618462 347995601 /nfs/dbraw/zinc/99/56/01/347995601.db2.gz TWIBXMXLJPHUJX-RUXDESIVSA-N 1 1 280.412 3.169 20 30 CGEDMO N#CCC1(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000602785465 348028568 /nfs/dbraw/zinc/02/85/68/348028568.db2.gz UONIQJVSXSTHSJ-INIZCTEOSA-N 1 1 254.377 3.245 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000602672925 348006099 /nfs/dbraw/zinc/00/60/99/348006099.db2.gz RXGAGICUHYYULS-DZGCQCFKSA-N 1 1 257.381 3.404 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](Cc2cccc(C#N)n2)[C@H]1C(C)C ZINC000602683044 348008443 /nfs/dbraw/zinc/00/84/43/348008443.db2.gz OTCCKCHMFLNFRY-HOTGVXAUSA-N 1 1 257.381 3.066 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccns1 ZINC000602693010 348010505 /nfs/dbraw/zinc/01/05/05/348010505.db2.gz POQMWJDUSGFMAL-LLVKDONJSA-N 1 1 257.362 3.208 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccns1 ZINC000602693010 348010507 /nfs/dbraw/zinc/01/05/07/348010507.db2.gz POQMWJDUSGFMAL-LLVKDONJSA-N 1 1 257.362 3.208 20 30 CGEDMO N#CCC1(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC000602788760 348029300 /nfs/dbraw/zinc/02/93/00/348029300.db2.gz QMIVYOALBHEVPR-AWEZNQCLSA-N 1 1 258.340 3.309 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000602711543 348015581 /nfs/dbraw/zinc/01/55/81/348015581.db2.gz PXCANQUJAXHARN-PKOBYXMFSA-N 1 1 299.462 3.175 20 30 CGEDMO C[C@@H](CCC#N)CN1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000602711543 348015583 /nfs/dbraw/zinc/01/55/83/348015583.db2.gz PXCANQUJAXHARN-PKOBYXMFSA-N 1 1 299.462 3.175 20 30 CGEDMO C[C@@H](CCC#N)CN1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000602711543 348015585 /nfs/dbraw/zinc/01/55/85/348015585.db2.gz PXCANQUJAXHARN-PKOBYXMFSA-N 1 1 299.462 3.175 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)n2)CCc2ccccc21 ZINC000602711312 348015733 /nfs/dbraw/zinc/01/57/33/348015733.db2.gz JCNLIELTVYDIDV-CQSZACIVSA-N 1 1 277.371 3.115 20 30 CGEDMO COc1cccc(C[C@@H]2CCC[N@H+]2CC2(CC#N)CC2)c1 ZINC000602769675 348026351 /nfs/dbraw/zinc/02/63/51/348026351.db2.gz URLFLJYMKQDAMB-INIZCTEOSA-N 1 1 284.403 3.396 20 30 CGEDMO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)CC1(CC#N)CC1 ZINC000602794716 348030612 /nfs/dbraw/zinc/03/06/12/348030612.db2.gz JHPRDQUSAWUZRP-CJNGLKHVSA-N 1 1 270.376 3.004 20 30 CGEDMO N#CCC1(CN[C@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000602805773 348031358 /nfs/dbraw/zinc/03/13/58/348031358.db2.gz PZOSRAFMOCFLCI-GOSISDBHSA-N 1 1 297.446 3.497 20 30 CGEDMO N#CCC1(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)CC1 ZINC000602834493 348034880 /nfs/dbraw/zinc/03/48/80/348034880.db2.gz ZMPDCOHLSQZBAI-FGTMMUONSA-N 1 1 296.414 3.185 20 30 CGEDMO CCC[C@H](C)CCC[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602849717 348036204 /nfs/dbraw/zinc/03/62/04/348036204.db2.gz MUSUSVDMSZIGCL-HRCADAONSA-N 1 1 265.445 3.121 20 30 CGEDMO CCC1([NH+]2CCCC2)CCN(CCCCC#N)CC1 ZINC000602952167 348046854 /nfs/dbraw/zinc/04/68/54/348046854.db2.gz XTPXVHZFJLFHIO-UHFFFAOYSA-N 1 1 263.429 3.021 20 30 CGEDMO C[N@H+](Cc1cc(F)cc2cccnc21)[C@@H]1CCC[C@@H]1C#N ZINC000602977230 348049387 /nfs/dbraw/zinc/04/93/87/348049387.db2.gz ZIGPSMKNEYPPAY-CZUORRHYSA-N 1 1 283.350 3.498 20 30 CGEDMO C[N@@H+](Cc1cc(F)cc2cccnc21)[C@@H]1CCC[C@@H]1C#N ZINC000602977230 348049389 /nfs/dbraw/zinc/04/93/89/348049389.db2.gz ZIGPSMKNEYPPAY-CZUORRHYSA-N 1 1 283.350 3.498 20 30 CGEDMO C[N@@H+](CCCc1cccc(F)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602980417 348050339 /nfs/dbraw/zinc/05/03/39/348050339.db2.gz PYEKCCVSWVDZOS-GDBMZVCRSA-N 1 1 260.356 3.382 20 30 CGEDMO CC[C@@]1(O)CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000602983930 348052562 /nfs/dbraw/zinc/05/25/62/348052562.db2.gz XKOGCFYYJAHQDA-GOSISDBHSA-N 1 1 286.419 3.225 20 30 CGEDMO C[N@@H+](CCCC#N)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000604521353 348122707 /nfs/dbraw/zinc/12/27/07/348122707.db2.gz FNNOIDVGQPSJFO-IRXDYDNUSA-N 1 1 272.392 3.390 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCc3ccc(O)cc3CC2)c(F)c1 ZINC000608866726 348332972 /nfs/dbraw/zinc/33/29/72/348332972.db2.gz YMSMYACVBHMOPN-UHFFFAOYSA-N 1 1 296.345 3.004 20 30 CGEDMO C[C@H]1COCCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000610990573 348414139 /nfs/dbraw/zinc/41/41/39/348414139.db2.gz BHVCYNHMBWMLRD-AWEZNQCLSA-N 1 1 272.392 3.099 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)ccn1 ZINC000610991507 348414294 /nfs/dbraw/zinc/41/42/94/348414294.db2.gz MCXUTJIVVAGTQR-GOSISDBHSA-N 1 1 295.361 3.299 20 30 CGEDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610993344 348414742 /nfs/dbraw/zinc/41/47/42/348414742.db2.gz NOTIHJYOGLWNHR-BBRMVZONSA-N 1 1 257.381 3.354 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@H]2c2ccsc2)ccn1 ZINC000610991983 348415161 /nfs/dbraw/zinc/41/51/61/348415161.db2.gz OIMFAPLQFNCOJA-HNNXBMFYSA-N 1 1 269.373 3.352 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@H]2c2ccsc2)ccn1 ZINC000610991983 348415163 /nfs/dbraw/zinc/41/51/63/348415163.db2.gz OIMFAPLQFNCOJA-HNNXBMFYSA-N 1 1 269.373 3.352 20 30 CGEDMO C[N@@H+](Cc1ccnc(C#N)c1)[C@H]1CCc2ccccc21 ZINC000610992011 348415257 /nfs/dbraw/zinc/41/52/57/348415257.db2.gz ZIYOEKPZCMUEMV-KRWDZBQOSA-N 1 1 263.344 3.073 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)ccn1 ZINC000610992573 348415489 /nfs/dbraw/zinc/41/54/89/348415489.db2.gz RMLOEKKSNKUMMV-OAHLLOKOSA-N 1 1 281.334 3.082 20 30 CGEDMO N#CCC[N@@H+](Cc1nccc2ccccc21)CC1CC1 ZINC000611268591 348433085 /nfs/dbraw/zinc/43/30/85/348433085.db2.gz MITXSRZCHISYIX-UHFFFAOYSA-N 1 1 265.360 3.360 20 30 CGEDMO N#CCC[N@H+](Cc1nccc2ccccc21)CC1CC1 ZINC000611268591 348433088 /nfs/dbraw/zinc/43/30/88/348433088.db2.gz MITXSRZCHISYIX-UHFFFAOYSA-N 1 1 265.360 3.360 20 30 CGEDMO Cc1ccncc1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000611293192 348435809 /nfs/dbraw/zinc/43/58/09/348435809.db2.gz YMNMTMUEWRLUQV-GFCCVEGCSA-N 1 1 269.323 3.252 20 30 CGEDMO C[C@H](C#N)C[N@H+](CCOc1ccc(Cl)cc1)C1CC1 ZINC000611091682 348422316 /nfs/dbraw/zinc/42/23/16/348422316.db2.gz XNQHJCBEOUDIHN-GFCCVEGCSA-N 1 1 278.783 3.343 20 30 CGEDMO C[C@H](C#N)C[N@@H+](CCOc1ccc(Cl)cc1)C1CC1 ZINC000611091682 348422318 /nfs/dbraw/zinc/42/23/18/348422318.db2.gz XNQHJCBEOUDIHN-GFCCVEGCSA-N 1 1 278.783 3.343 20 30 CGEDMO C[C@@H](C#N)C[N@H+](CCOc1ccc(Cl)cc1)C1CC1 ZINC000611091683 348422345 /nfs/dbraw/zinc/42/23/45/348422345.db2.gz XNQHJCBEOUDIHN-LBPRGKRZSA-N 1 1 278.783 3.343 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](CCOc1ccc(Cl)cc1)C1CC1 ZINC000611091683 348422348 /nfs/dbraw/zinc/42/23/48/348422348.db2.gz XNQHJCBEOUDIHN-LBPRGKRZSA-N 1 1 278.783 3.343 20 30 CGEDMO Cc1nc(C[NH2+][C@@H](C)c2cccc(C#N)c2)sc1C ZINC000611387357 348443415 /nfs/dbraw/zinc/44/34/15/348443415.db2.gz MABNWTAGPIOWSH-NSHDSACASA-N 1 1 271.389 3.482 20 30 CGEDMO C[C@H](NCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc(C#N)c1 ZINC000611438138 348452470 /nfs/dbraw/zinc/45/24/70/348452470.db2.gz VMKXKJOCTYTUMW-OAGGEKHMSA-N 1 1 285.435 3.187 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000611462977 348453454 /nfs/dbraw/zinc/45/34/54/348453454.db2.gz WXAREBNBGNDRFU-GJZGRUSLSA-N 1 1 264.413 3.065 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)cc1 ZINC000612117669 348495949 /nfs/dbraw/zinc/49/59/49/348495949.db2.gz QVPGDADAAHRQTP-RBUKOAKNSA-N 1 1 298.430 3.391 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000612162104 348498051 /nfs/dbraw/zinc/49/80/51/348498051.db2.gz KHTGGAZTQKREGK-HOTGVXAUSA-N 1 1 258.340 3.439 20 30 CGEDMO C[C@@]1(C#N)CCC[N@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000612162104 348498052 /nfs/dbraw/zinc/49/80/52/348498052.db2.gz KHTGGAZTQKREGK-HOTGVXAUSA-N 1 1 258.340 3.439 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC000612406088 348516936 /nfs/dbraw/zinc/51/69/36/348516936.db2.gz IBYDFVZBWAADKI-MRXNPFEDSA-N 1 1 253.349 3.294 20 30 CGEDMO C[C@]1(C#N)CCC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000612406556 348517558 /nfs/dbraw/zinc/51/75/58/348517558.db2.gz PSSRSBBGKRUFDU-QGZVFWFLSA-N 1 1 265.360 3.360 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000612406556 348517560 /nfs/dbraw/zinc/51/75/60/348517560.db2.gz PSSRSBBGKRUFDU-QGZVFWFLSA-N 1 1 265.360 3.360 20 30 CGEDMO CN(Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000614166998 348654652 /nfs/dbraw/zinc/65/46/52/348654652.db2.gz WTIDSQIAOSTJCG-GOSISDBHSA-N 1 1 297.446 3.156 20 30 CGEDMO C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCN(C2CC2)C1 ZINC000614166998 348654654 /nfs/dbraw/zinc/65/46/54/348654654.db2.gz WTIDSQIAOSTJCG-GOSISDBHSA-N 1 1 297.446 3.156 20 30 CGEDMO C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCN(C2CC2)C1 ZINC000614166998 348654657 /nfs/dbraw/zinc/65/46/57/348654657.db2.gz WTIDSQIAOSTJCG-GOSISDBHSA-N 1 1 297.446 3.156 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@@H](CO)c1ccccc1 ZINC000614397410 348673047 /nfs/dbraw/zinc/67/30/47/348673047.db2.gz RMFGJXYABCIGGZ-SFHVURJKSA-N 1 1 280.371 3.032 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000614403128 348673956 /nfs/dbraw/zinc/67/39/56/348673956.db2.gz GDLHYWUUZRGQCO-ROUUACIJSA-N 1 1 284.403 3.115 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCCOC(C)(C)C1 ZINC000615438941 348739620 /nfs/dbraw/zinc/73/96/20/348739620.db2.gz BKXLAZVMSBJOHM-CYBMUJFWSA-N 1 1 258.365 3.120 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC23CCOCC3)cc1 ZINC000618318432 349068709 /nfs/dbraw/zinc/06/87/09/349068709.db2.gz ZVQNAQCMZIJJTC-UHFFFAOYSA-N 1 1 284.403 3.243 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@H]2CCCc3cccnc32)c(F)c1 ZINC000619611087 349262725 /nfs/dbraw/zinc/26/27/25/349262725.db2.gz FRTMPMFWNZOCQD-INIZCTEOSA-N 1 1 281.334 3.260 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+](C)Cc1cnc(C(C)C)nc1 ZINC000619652601 349266873 /nfs/dbraw/zinc/26/68/73/349266873.db2.gz WEZAOCDOFBJAJH-UHFFFAOYSA-N 1 1 294.402 3.412 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+](C)Cc1cnc(C(C)C)nc1 ZINC000619652601 349266876 /nfs/dbraw/zinc/26/68/76/349266876.db2.gz WEZAOCDOFBJAJH-UHFFFAOYSA-N 1 1 294.402 3.412 20 30 CGEDMO CC1=C(c2ccco2)C[N@@H+](Cc2ccnc(C#N)c2)CC1 ZINC000619785793 349285017 /nfs/dbraw/zinc/28/50/17/349285017.db2.gz PGBFITGWYQPTQY-UHFFFAOYSA-N 1 1 279.343 3.226 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2nc(-c3ccccc3)no2)C1 ZINC000625699235 350197205 /nfs/dbraw/zinc/19/72/05/350197205.db2.gz BQUVZCUNRZUWCP-CYBMUJFWSA-N 1 1 269.348 3.135 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2nnc(-c3ccccc3)o2)C1 ZINC000625702943 350200075 /nfs/dbraw/zinc/20/00/75/350200075.db2.gz KBKFRGHQMMONMO-CYBMUJFWSA-N 1 1 269.348 3.135 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2noc(-c3ccsc3)n2)C1 ZINC000625704009 350201062 /nfs/dbraw/zinc/20/10/62/350201062.db2.gz QQZPMTFWUBIAJA-NSHDSACASA-N 1 1 275.377 3.196 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2noc(-c3ccsc3)n2)C1 ZINC000625704009 350201065 /nfs/dbraw/zinc/20/10/65/350201065.db2.gz QQZPMTFWUBIAJA-NSHDSACASA-N 1 1 275.377 3.196 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)c(OC2CC2)c1)C1CC1 ZINC000628238259 350459997 /nfs/dbraw/zinc/45/99/97/350459997.db2.gz RIJSQWBPADRGSK-UHFFFAOYSA-N 1 1 273.376 3.387 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cnn(-c3ccc(OC)cc3)c2)C1 ZINC000628406244 350529655 /nfs/dbraw/zinc/52/96/55/350529655.db2.gz FPJIJHPGBUYVSA-HNNXBMFYSA-N 1 1 297.402 3.279 20 30 CGEDMO C=C(C)C[NH2+]Cc1ncc(Br)cc1Cl ZINC000631131130 350965079 /nfs/dbraw/zinc/96/50/79/350965079.db2.gz JICJZVBKAPTXQE-UHFFFAOYSA-N 1 1 275.577 3.163 20 30 CGEDMO CC[N@H+](CCN1CCCCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000122831540 187054413 /nfs/dbraw/zinc/05/44/13/187054413.db2.gz GQOLSIWAXOVJJF-MRXNPFEDSA-N 1 1 285.435 3.427 20 30 CGEDMO CC[N@@H+](CCN1CCCCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000122831540 187054414 /nfs/dbraw/zinc/05/44/14/187054414.db2.gz GQOLSIWAXOVJJF-MRXNPFEDSA-N 1 1 285.435 3.427 20 30 CGEDMO CCC(CC)[N@@H+](CCOC)Cc1ccc(C#N)s1 ZINC000124243865 187127796 /nfs/dbraw/zinc/12/77/96/187127796.db2.gz BXQYLYTXCIOFJZ-UHFFFAOYSA-N 1 1 266.410 3.257 20 30 CGEDMO C=CC[N@H+](CCC(=O)Nc1ccccc1OCC)C1CC1 ZINC000271519619 191189517 /nfs/dbraw/zinc/18/95/17/191189517.db2.gz VOJFXZBYXXRFPI-UHFFFAOYSA-N 1 1 288.391 3.064 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCCc3occc3C2)c1 ZINC000367982405 234267947 /nfs/dbraw/zinc/26/79/47/234267947.db2.gz JCWBNCZHVJZQCL-UHFFFAOYSA-N 1 1 252.317 3.100 20 30 CGEDMO CC(C)[N@H+](Cc1ccc(C#N)o1)Cc1ccc([N+](=O)[O-])cc1 ZINC000154463754 188144414 /nfs/dbraw/zinc/14/44/14/188144414.db2.gz BBFFYULARIHDIG-UHFFFAOYSA-N 1 1 299.330 3.470 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc(C#N)o1)Cc1ccc([N+](=O)[O-])cc1 ZINC000154463754 188144415 /nfs/dbraw/zinc/14/44/15/188144415.db2.gz BBFFYULARIHDIG-UHFFFAOYSA-N 1 1 299.330 3.470 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@H](OCC3CC3)C2)ccc1F ZINC000368789311 234339013 /nfs/dbraw/zinc/33/90/13/234339013.db2.gz CWKGRCGDZNNQIF-INIZCTEOSA-N 1 1 288.366 3.088 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@H](OCC3CC3)C2)ccc1F ZINC000368789311 234339017 /nfs/dbraw/zinc/33/90/17/234339017.db2.gz CWKGRCGDZNNQIF-INIZCTEOSA-N 1 1 288.366 3.088 20 30 CGEDMO C=CCCC[N@H+](C)CCCS(=O)(=O)c1cccc(C)c1 ZINC000155252421 188194339 /nfs/dbraw/zinc/19/43/39/188194339.db2.gz GRHSYEJUIHNDRK-UHFFFAOYSA-N 1 1 295.448 3.057 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000336420679 213279056 /nfs/dbraw/zinc/27/90/56/213279056.db2.gz OFCZPLICSDMEKX-QGZVFWFLSA-N 1 1 288.366 3.088 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC=C(c3ccc(O)cc3)CC2)C1 ZINC000334736583 283058611 /nfs/dbraw/zinc/05/86/11/283058611.db2.gz MFPIVEUYTRFJEC-CJNGLKHVSA-N 1 1 268.360 3.174 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)s1 ZINC000449449818 283139255 /nfs/dbraw/zinc/13/92/55/283139255.db2.gz FBUCQTXVNQYNCE-XHSDSOJGSA-N 1 1 290.432 3.135 20 30 CGEDMO C[C@@H](Nc1ncccc1C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272969723 192001054 /nfs/dbraw/zinc/00/10/54/192001054.db2.gz OHFVVMCFBJQVDS-HIFRSBDPSA-N 1 1 284.407 3.018 20 30 CGEDMO N#Cc1ccc(N2CC[C@H](n3c[nH+]c4c3CCCC4)C2)cc1 ZINC000299751121 283167887 /nfs/dbraw/zinc/16/78/87/283167887.db2.gz PPJPHNPVOOXTQR-INIZCTEOSA-N 1 1 292.386 3.085 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000341758661 283193744 /nfs/dbraw/zinc/19/37/44/283193744.db2.gz AQYLZTJGSQGQKR-LNLFQRSKSA-N 1 1 295.430 3.152 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000341758661 283193750 /nfs/dbraw/zinc/19/37/50/283193750.db2.gz AQYLZTJGSQGQKR-LNLFQRSKSA-N 1 1 295.430 3.152 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000341758660 283193971 /nfs/dbraw/zinc/19/39/71/283193971.db2.gz AQYLZTJGSQGQKR-LMMKCTJWSA-N 1 1 295.430 3.152 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000341758660 283193973 /nfs/dbraw/zinc/19/39/73/283193973.db2.gz AQYLZTJGSQGQKR-LMMKCTJWSA-N 1 1 295.430 3.152 20 30 CGEDMO C[C@@H]1CCC[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2C#N)C1 ZINC000098110856 138349455 /nfs/dbraw/zinc/34/94/55/138349455.db2.gz KGSMCGVGIRKWFW-ZBFHGGJFSA-N 1 1 299.418 3.397 20 30 CGEDMO COc1ncccc1C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425535179 236258222 /nfs/dbraw/zinc/25/82/22/236258222.db2.gz MZIVDIQQVHVRSE-ZDUSSCGKSA-N 1 1 281.359 3.155 20 30 CGEDMO COc1ncccc1C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425535179 236258224 /nfs/dbraw/zinc/25/82/24/236258224.db2.gz MZIVDIQQVHVRSE-ZDUSSCGKSA-N 1 1 281.359 3.155 20 30 CGEDMO CCC[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000341593019 216026491 /nfs/dbraw/zinc/02/64/91/216026491.db2.gz XZPKZJBKHAMVEH-HNNXBMFYSA-N 1 1 299.418 3.399 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1c1nc2ccccc2n1CC ZINC000177118995 189030202 /nfs/dbraw/zinc/03/02/02/189030202.db2.gz JLAIGXRQUIJKPL-OAHLLOKOSA-N 1 1 255.365 3.379 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1CC ZINC000177118995 189030203 /nfs/dbraw/zinc/03/02/03/189030203.db2.gz JLAIGXRQUIJKPL-OAHLLOKOSA-N 1 1 255.365 3.379 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000177445376 189051505 /nfs/dbraw/zinc/05/15/05/189051505.db2.gz YWCHDYVKUPJGRA-DOTOQJQBSA-N 1 1 286.419 3.122 20 30 CGEDMO N#Cc1ccc(NC[C@H]2CCC[N@H+]2CC2CCCCC2)nc1 ZINC000301165605 200931302 /nfs/dbraw/zinc/93/13/02/200931302.db2.gz HISSHZHMNJOGJA-QGZVFWFLSA-N 1 1 298.434 3.410 20 30 CGEDMO N#Cc1ccc(NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000301541707 201060020 /nfs/dbraw/zinc/06/00/20/201060020.db2.gz VNBICEBCLCJFLL-SFHVURJKSA-N 1 1 292.386 3.030 20 30 CGEDMO CC(C)C[N@H+]1CCC[C@H](CNc2cccc(F)c2C#N)C1 ZINC000301801805 201205992 /nfs/dbraw/zinc/20/59/92/201205992.db2.gz WJDIALWVWZCBFK-CQSZACIVSA-N 1 1 289.398 3.477 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1ccc(C#N)cc1 ZINC000302149636 201367309 /nfs/dbraw/zinc/36/73/09/201367309.db2.gz AVFKXPCHBBRNJO-HNAYVOBHSA-N 1 1 291.398 3.491 20 30 CGEDMO CC[C@@H]1CCCC[N@H+]1CCNc1cc(C#N)ccc1C(C)=O ZINC000302132269 201355321 /nfs/dbraw/zinc/35/53/21/201355321.db2.gz YNNQIVCXIPQBPO-MRXNPFEDSA-N 1 1 299.418 3.437 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+](C)Cc1cccc(F)c1 ZINC000120554520 370780244 /nfs/dbraw/zinc/78/02/44/370780244.db2.gz VNKOBCRLEPTZOX-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)Cc1cccc(F)c1 ZINC000120554520 370780250 /nfs/dbraw/zinc/78/02/50/370780250.db2.gz VNKOBCRLEPTZOX-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCSC3(CCC3)CC2)o1 ZINC000335643131 212358972 /nfs/dbraw/zinc/35/89/72/212358972.db2.gz OIHMDZPERUWCII-UHFFFAOYSA-N 1 1 262.378 3.013 20 30 CGEDMO CC(C)[C@@H]1[N@@H+](Cc2ccc(C#N)s2)CC12CCOCC2 ZINC000335638902 212354603 /nfs/dbraw/zinc/35/46/03/212354603.db2.gz NBBCKPFRIHAACK-HNNXBMFYSA-N 1 1 290.432 3.257 20 30 CGEDMO C[C@@H]1Cc2c([nH+]cn2Cc2ccc(F)cc2C#N)C[C@@H]1C ZINC000451002607 240188699 /nfs/dbraw/zinc/18/86/99/240188699.db2.gz SRUUFUBKYHZUNB-NWDGAFQWSA-N 1 1 283.350 3.313 20 30 CGEDMO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000451965793 240387197 /nfs/dbraw/zinc/38/71/97/240387197.db2.gz LCHHQOIWECRVHD-INIZCTEOSA-N 1 1 290.407 3.416 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000451965793 240387202 /nfs/dbraw/zinc/38/72/02/240387202.db2.gz LCHHQOIWECRVHD-INIZCTEOSA-N 1 1 290.407 3.416 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1[C@@H](C)CCC1(C)C ZINC000452007963 240394769 /nfs/dbraw/zinc/39/47/69/240394769.db2.gz ODCDLJNEHNEQPZ-LBPRGKRZSA-N 1 1 258.365 3.330 20 30 CGEDMO C[C@@H]1CCC(C)(C)[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000452016914 240396551 /nfs/dbraw/zinc/39/65/51/240396551.db2.gz WSEHQOFXNMTVHP-CYBMUJFWSA-N 1 1 285.391 3.150 20 30 CGEDMO CCC1CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459308090 242063782 /nfs/dbraw/zinc/06/37/82/242063782.db2.gz RYFKMPZQFBKFMO-UHFFFAOYSA-N 1 1 273.336 3.088 20 30 CGEDMO CC(C)[C@H]1CCC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459451241 242112114 /nfs/dbraw/zinc/11/21/14/242112114.db2.gz WZKJCUVMOQPVET-AWEZNQCLSA-N 1 1 287.363 3.334 20 30 CGEDMO CC(C)[C@H]1CCC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459451241 242112117 /nfs/dbraw/zinc/11/21/17/242112117.db2.gz WZKJCUVMOQPVET-AWEZNQCLSA-N 1 1 287.363 3.334 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[NH+](C1CCC1)C1CCC1 ZINC000459485717 242123619 /nfs/dbraw/zinc/12/36/19/242123619.db2.gz FBLAVGWKKRAJLM-UHFFFAOYSA-N 1 1 285.347 3.373 20 30 CGEDMO CCOC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000459718325 242189152 /nfs/dbraw/zinc/18/91/52/242189152.db2.gz RFFNQWNYCCRESP-INIZCTEOSA-N 1 1 276.355 3.088 20 30 CGEDMO CCOC[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000459718325 242189157 /nfs/dbraw/zinc/18/91/57/242189157.db2.gz RFFNQWNYCCRESP-INIZCTEOSA-N 1 1 276.355 3.088 20 30 CGEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)[C@@H](CCO)c1ccccc1 ZINC000121553347 370873271 /nfs/dbraw/zinc/87/32/71/370873271.db2.gz ANDRLEJWVZMIDO-SFHVURJKSA-N 1 1 298.361 3.253 20 30 CGEDMO N#Cc1ccccc1OCC[N@@H+](CC1CC1)CC1CCC1 ZINC000483278214 243274160 /nfs/dbraw/zinc/27/41/60/243274160.db2.gz HYQRUHJFCDDBDS-UHFFFAOYSA-N 1 1 284.403 3.449 20 30 CGEDMO C=CCc1cc(C[N@H+]2CCC[C@@H]2C)cc(OC)c1O ZINC000124324191 370922810 /nfs/dbraw/zinc/92/28/10/370922810.db2.gz OSRGDPHGXFGNLF-LBPRGKRZSA-N 1 1 261.365 3.114 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1C ZINC000123236177 370910010 /nfs/dbraw/zinc/91/00/10/370910010.db2.gz WZVLMSBSUZKQTD-WBVHZDCISA-N 1 1 259.393 3.459 20 30 CGEDMO CC(C)c1ccc(C[NH+]2CCC(C#N)CC2)cc1[N+](=O)[O-] ZINC000123722554 370914307 /nfs/dbraw/zinc/91/43/07/370914307.db2.gz HNBBCAVSOLBHCR-UHFFFAOYSA-N 1 1 287.363 3.454 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc(C#N)cc1F ZINC000026329123 368857097 /nfs/dbraw/zinc/85/70/97/368857097.db2.gz USHGUMMRESMSCC-UHFFFAOYSA-N 1 1 279.318 3.201 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(C#N)cc1F ZINC000026329123 368857099 /nfs/dbraw/zinc/85/70/99/368857099.db2.gz USHGUMMRESMSCC-UHFFFAOYSA-N 1 1 279.318 3.201 20 30 CGEDMO C[C@H]1CCC[C@@H]([N@@H+](C)CC(=O)Nc2cccc(C#N)c2)C1 ZINC000026466430 368859923 /nfs/dbraw/zinc/85/99/23/368859923.db2.gz ABGYQYIXZZINBK-XJKSGUPXSA-N 1 1 285.391 3.007 20 30 CGEDMO C[N@@H+](CCOc1cccc(C#N)c1)Cc1ccccc1 ZINC000034674005 368976901 /nfs/dbraw/zinc/97/69/01/368976901.db2.gz HMVMZSRSSJJBOR-UHFFFAOYSA-N 1 1 266.344 3.069 20 30 CGEDMO CC(C)c1[nH+]ccn1CCCOc1cccc(C#N)c1 ZINC000034674820 368978458 /nfs/dbraw/zinc/97/84/58/368978458.db2.gz CJHMZMIZSDHZRA-UHFFFAOYSA-N 1 1 269.348 3.347 20 30 CGEDMO C[N@@H+](CCCNc1ccc(C#N)cn1)C1CCCCC1 ZINC000037859956 369119511 /nfs/dbraw/zinc/11/95/11/369119511.db2.gz UAQNJXMPOJFYRJ-UHFFFAOYSA-N 1 1 272.396 3.020 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccccc1F ZINC000042268104 369208417 /nfs/dbraw/zinc/20/84/17/369208417.db2.gz ZUPDQDOYYYOSOS-UHFFFAOYSA-N 1 1 254.308 3.329 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccc1F ZINC000042268104 369208420 /nfs/dbraw/zinc/20/84/20/369208420.db2.gz ZUPDQDOYYYOSOS-UHFFFAOYSA-N 1 1 254.308 3.329 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1ccccn1 ZINC000048273154 369339821 /nfs/dbraw/zinc/33/98/21/369339821.db2.gz BHHNNLPTPWYFFM-UHFFFAOYSA-N 1 1 265.360 3.364 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+](C)Cc1cc2ccccc2o1 ZINC000127355331 370951074 /nfs/dbraw/zinc/95/10/74/370951074.db2.gz BHCKAOMXIUACCP-UHFFFAOYSA-N 1 1 298.386 3.065 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+](C)Cc1cc2ccccc2o1 ZINC000127355331 370951080 /nfs/dbraw/zinc/95/10/80/370951080.db2.gz BHCKAOMXIUACCP-UHFFFAOYSA-N 1 1 298.386 3.065 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc(OC)c(OCC)c(OC)c1 ZINC000276167811 193231195 /nfs/dbraw/zinc/23/11/95/193231195.db2.gz SAWBYYNFWKWCPG-UHFFFAOYSA-N 1 1 279.380 3.110 20 30 CGEDMO C#CC[N@@H+](Cc1cnoc1C)[C@@H]1CCc2ccccc21 ZINC000128350631 370963102 /nfs/dbraw/zinc/96/31/02/370963102.db2.gz BKWWQSBHAFMEAL-QGZVFWFLSA-N 1 1 266.344 3.106 20 30 CGEDMO C#CC[N@H+](Cc1cnoc1C)[C@@H]1CCc2ccccc21 ZINC000128350631 370963107 /nfs/dbraw/zinc/96/31/07/370963107.db2.gz BKWWQSBHAFMEAL-QGZVFWFLSA-N 1 1 266.344 3.106 20 30 CGEDMO C=CCOc1ccccc1C[N@H+](C)CC(C)(C)OC ZINC000537725649 376196656 /nfs/dbraw/zinc/19/66/56/376196656.db2.gz ZOGQXCHJQGGHSM-UHFFFAOYSA-N 1 1 263.381 3.108 20 30 CGEDMO Cn1cccc1[C@H]1CCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000057623020 369543273 /nfs/dbraw/zinc/54/32/73/369543273.db2.gz YCJMVPFDTMKPLC-GOSISDBHSA-N 1 1 295.386 3.113 20 30 CGEDMO C=CCC[N@H+](C)Cc1nnc(-c2ccccc2Cl)o1 ZINC000276488240 193352457 /nfs/dbraw/zinc/35/24/57/193352457.db2.gz UMNROARTNDBXLC-UHFFFAOYSA-N 1 1 277.755 3.398 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc(=O)oc2cc(CC)ccc12 ZINC000276489538 193353678 /nfs/dbraw/zinc/35/36/78/193353678.db2.gz UNPYKIVOBIMFGS-UHFFFAOYSA-N 1 1 271.360 3.363 20 30 CGEDMO N#CCCCC[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000075865658 369918972 /nfs/dbraw/zinc/91/89/72/369918972.db2.gz RZNGGCFYJCMWSD-QGZVFWFLSA-N 1 1 272.392 3.219 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)Cc1nccn1CC ZINC000076292978 369935244 /nfs/dbraw/zinc/93/52/44/369935244.db2.gz XVZUBZSQQIWPHH-UHFFFAOYSA-N 1 1 269.392 3.134 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1nccn1CC ZINC000076292978 369935247 /nfs/dbraw/zinc/93/52/47/369935247.db2.gz XVZUBZSQQIWPHH-UHFFFAOYSA-N 1 1 269.392 3.134 20 30 CGEDMO C[C@H]1CC[N@@H+](CC(C)(C)CCC#N)C[C@@H]1n1ccnc1 ZINC000091961224 370083463 /nfs/dbraw/zinc/08/34/63/370083463.db2.gz HGPOHGRJFQVARZ-GJZGRUSLSA-N 1 1 274.412 3.096 20 30 CGEDMO CC[N@@H+](Cc1c[nH]nc1-c1ccccc1)C[C@H](C)C#N ZINC000091982833 370083791 /nfs/dbraw/zinc/08/37/91/370083791.db2.gz GWJSFRAKBJGMAT-CYBMUJFWSA-N 1 1 268.364 3.058 20 30 CGEDMO CC[N@H+](Cc1c[nH]nc1-c1ccccc1)C[C@H](C)C#N ZINC000091982833 370083794 /nfs/dbraw/zinc/08/37/94/370083794.db2.gz GWJSFRAKBJGMAT-CYBMUJFWSA-N 1 1 268.364 3.058 20 30 CGEDMO C=CCOc1ccc(C[N@H+](CC)C[C@@H](C)C#N)cc1 ZINC000091982317 370083923 /nfs/dbraw/zinc/08/39/23/370083923.db2.gz LHDVKDLAYVDDCG-AWEZNQCLSA-N 1 1 258.365 3.233 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](CC)C[C@@H](C)C#N)cc1 ZINC000091982317 370083926 /nfs/dbraw/zinc/08/39/26/370083926.db2.gz LHDVKDLAYVDDCG-AWEZNQCLSA-N 1 1 258.365 3.233 20 30 CGEDMO COc1c(C)cc(C[N@H+](CCC#N)CC2CC2)cc1C ZINC000093091357 370108324 /nfs/dbraw/zinc/10/83/24/370108324.db2.gz HSKBXRRSXAUYNV-UHFFFAOYSA-N 1 1 272.392 3.438 20 30 CGEDMO COc1c(C)cc(C[N@@H+](CCC#N)CC2CC2)cc1C ZINC000093091357 370108329 /nfs/dbraw/zinc/10/83/29/370108329.db2.gz HSKBXRRSXAUYNV-UHFFFAOYSA-N 1 1 272.392 3.438 20 30 CGEDMO CCOC[C@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000093419588 370127612 /nfs/dbraw/zinc/12/76/12/370127612.db2.gz ZVLFESPVEHAXMO-AWEZNQCLSA-N 1 1 252.402 3.065 20 30 CGEDMO N#Cc1ccc(C[N@H+](CCc2cccc(F)c2)C2CC2)o1 ZINC000093438585 370128762 /nfs/dbraw/zinc/12/87/62/370128762.db2.gz URRLUUAGAYPMQF-UHFFFAOYSA-N 1 1 284.334 3.497 20 30 CGEDMO CC(C)(CCC#N)C[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000093458155 370133330 /nfs/dbraw/zinc/13/33/30/370133330.db2.gz MLUPZQPZHZLXSZ-INIZCTEOSA-N 1 1 288.391 3.095 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000093458155 370133335 /nfs/dbraw/zinc/13/33/35/370133335.db2.gz MLUPZQPZHZLXSZ-INIZCTEOSA-N 1 1 288.391 3.095 20 30 CGEDMO CCO[C@H]1C[C@H]([N@@H+](C)CC(C)(C)CCC#N)C1(C)C ZINC000093605468 370146423 /nfs/dbraw/zinc/14/64/23/370146423.db2.gz MVCCUZTYMDTUIN-KBPBESRZSA-N 1 1 266.429 3.452 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000093643701 370150164 /nfs/dbraw/zinc/15/01/64/370150164.db2.gz KYEMLNYWHOSSQT-NVXWUHKLSA-N 1 1 288.435 3.166 20 30 CGEDMO C=CCOc1ccc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000093643701 370150193 /nfs/dbraw/zinc/15/01/93/370150193.db2.gz KYEMLNYWHOSSQT-NVXWUHKLSA-N 1 1 288.435 3.166 20 30 CGEDMO C=CCOc1ccc(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000093643701 370150199 /nfs/dbraw/zinc/15/01/99/370150199.db2.gz KYEMLNYWHOSSQT-NVXWUHKLSA-N 1 1 288.435 3.166 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)Cc1cc(OC)ccn1 ZINC000106933391 370354208 /nfs/dbraw/zinc/35/42/08/370354208.db2.gz IEVYDGQTADYSQB-UHFFFAOYSA-N 1 1 268.360 3.278 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cc(OC)ccn1 ZINC000106933391 370354213 /nfs/dbraw/zinc/35/42/13/370354213.db2.gz IEVYDGQTADYSQB-UHFFFAOYSA-N 1 1 268.360 3.278 20 30 CGEDMO CC(C)[C@H]1CCCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000117350498 370588736 /nfs/dbraw/zinc/58/87/36/370588736.db2.gz ZKKNEHCYJNCJCP-CYBMUJFWSA-N 1 1 291.420 3.069 20 30 CGEDMO CC(C)[C@H]1CCCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000117350498 370588741 /nfs/dbraw/zinc/58/87/41/370588741.db2.gz ZKKNEHCYJNCJCP-CYBMUJFWSA-N 1 1 291.420 3.069 20 30 CGEDMO Cc1cc(C)n(-c2ccc(C[N@@H+](C)[C@H](C)CC#N)cc2)n1 ZINC000129667625 370996610 /nfs/dbraw/zinc/99/66/10/370996610.db2.gz MNJDVMZWZATCCN-CQSZACIVSA-N 1 1 282.391 3.223 20 30 CGEDMO Cc1cc(C)n(-c2ccc(C[N@H+](C)[C@H](C)CC#N)cc2)n1 ZINC000129667625 370996611 /nfs/dbraw/zinc/99/66/11/370996611.db2.gz MNJDVMZWZATCCN-CQSZACIVSA-N 1 1 282.391 3.223 20 30 CGEDMO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC000131159343 371087403 /nfs/dbraw/zinc/08/74/03/371087403.db2.gz FMTODGUCZBIRHM-LLVKDONJSA-N 1 1 286.379 3.262 20 30 CGEDMO CCC[C@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000131224550 371091052 /nfs/dbraw/zinc/09/10/52/371091052.db2.gz LIGKENHIUFTKQQ-INIZCTEOSA-N 1 1 286.419 3.489 20 30 CGEDMO CCC[C@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000131224550 371091057 /nfs/dbraw/zinc/09/10/57/371091057.db2.gz LIGKENHIUFTKQQ-INIZCTEOSA-N 1 1 286.419 3.489 20 30 CGEDMO N#CCCC[N@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000133287752 371240013 /nfs/dbraw/zinc/24/00/13/371240013.db2.gz JCPSNHWSUGAGJE-CYBMUJFWSA-N 1 1 278.783 3.487 20 30 CGEDMO N#CCCC[N@@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000133287752 371240017 /nfs/dbraw/zinc/24/00/17/371240017.db2.gz JCPSNHWSUGAGJE-CYBMUJFWSA-N 1 1 278.783 3.487 20 30 CGEDMO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000134227130 371312875 /nfs/dbraw/zinc/31/28/75/371312875.db2.gz DIUDSWGKOGLAOG-LIRRHRJNSA-N 1 1 292.382 3.382 20 30 CGEDMO CS[C@H]1CCCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000134562035 371349932 /nfs/dbraw/zinc/34/99/32/371349932.db2.gz ZJKLAMGJWVTSMQ-AWEZNQCLSA-N 1 1 278.396 3.415 20 30 CGEDMO CS[C@H]1CCCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000134565359 371350278 /nfs/dbraw/zinc/35/02/78/371350278.db2.gz HWKZSWUYUHJMIC-AWEZNQCLSA-N 1 1 278.396 3.415 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000134656295 371356710 /nfs/dbraw/zinc/35/67/10/371356710.db2.gz KUVKFBIXPQLPDP-VXGBXAGGSA-N 1 1 288.819 3.117 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000134656295 371356712 /nfs/dbraw/zinc/35/67/12/371356712.db2.gz KUVKFBIXPQLPDP-VXGBXAGGSA-N 1 1 288.819 3.117 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134770677 371363089 /nfs/dbraw/zinc/36/30/89/371363089.db2.gz WHEJLOCKXSADDW-CVEARBPZSA-N 1 1 263.356 3.290 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000151851856 371642045 /nfs/dbraw/zinc/64/20/45/371642045.db2.gz MMQXKNXPMKYQPI-IRXDYDNUSA-N 1 1 296.370 3.239 20 30 CGEDMO COc1cc([C@@H](C)[NH2+]Cc2ccc(C#N)s2)c(F)cn1 ZINC000421894949 371702132 /nfs/dbraw/zinc/70/21/32/371702132.db2.gz YEYZZFJOAFIFDH-SECBINFHSA-N 1 1 291.351 3.013 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000288661619 371743822 /nfs/dbraw/zinc/74/38/22/371743822.db2.gz BQKMVQJBCRYZGO-QGZVFWFLSA-N 1 1 277.383 3.019 20 30 CGEDMO CC(C)[N@@H+](CCCC(C)(C)C#N)CC(=O)OC(C)(C)C ZINC000153983412 371808288 /nfs/dbraw/zinc/80/82/88/371808288.db2.gz IDRXAAJIOBWENS-UHFFFAOYSA-N 1 1 282.428 3.368 20 30 CGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)C[C@H]1CC=CCC1 ZINC000344066546 217035110 /nfs/dbraw/zinc/03/51/10/217035110.db2.gz PLYLSMKEAQYELS-GJZGRUSLSA-N 1 1 297.402 3.173 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(OCCC)c(OCC)c1 ZINC000154794933 371879439 /nfs/dbraw/zinc/87/94/39/371879439.db2.gz YSKSJMRRCRKSTN-UHFFFAOYSA-N 1 1 263.381 3.492 20 30 CGEDMO CC#CCC[N@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000155082972 371903535 /nfs/dbraw/zinc/90/35/35/371903535.db2.gz RSVFRVWAZHLMRU-UHFFFAOYSA-N 1 1 299.201 3.277 20 30 CGEDMO CC#CCC[N@@H+](C)CC(=O)Nc1c(Cl)cccc1Cl ZINC000155082972 371903538 /nfs/dbraw/zinc/90/35/38/371903538.db2.gz RSVFRVWAZHLMRU-UHFFFAOYSA-N 1 1 299.201 3.277 20 30 CGEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1cccs1 ZINC000344114233 217057056 /nfs/dbraw/zinc/05/70/56/217057056.db2.gz NGHBJWKNFDTXCV-UHFFFAOYSA-N 1 1 286.400 3.268 20 30 CGEDMO CC[N@H+](Cc1ccoc1)Cc1cc(C#N)ccc1OC ZINC000158077440 372052117 /nfs/dbraw/zinc/05/21/17/372052117.db2.gz JFEGLYKNOJYMBN-UHFFFAOYSA-N 1 1 270.332 3.182 20 30 CGEDMO CC[N@@H+](Cc1ccoc1)Cc1cc(C#N)ccc1OC ZINC000158077440 372052122 /nfs/dbraw/zinc/05/21/22/372052122.db2.gz JFEGLYKNOJYMBN-UHFFFAOYSA-N 1 1 270.332 3.182 20 30 CGEDMO C=CCC[C@@H](CC)[NH2+][C@H](C)c1noc(COC(C)C)n1 ZINC000290841551 372062207 /nfs/dbraw/zinc/06/22/07/372062207.db2.gz IJPSSCGFSWTQBI-CHWSQXEVSA-N 1 1 281.400 3.390 20 30 CGEDMO O[C@@H]1CCCC[C@@H]1[C@H]1CCCC[N@H+]1CC#Cc1ccccc1 ZINC000291080065 372112828 /nfs/dbraw/zinc/11/28/28/372112828.db2.gz GLYNGVYMVNQCMD-VAMGGRTRSA-N 1 1 297.442 3.444 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425554077 372132285 /nfs/dbraw/zinc/13/22/85/372132285.db2.gz VGDHVUJHXXRWDD-HUUCEWRRSA-N 1 1 265.784 3.414 20 30 CGEDMO CC[C@]1(C)CC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000344220603 217105881 /nfs/dbraw/zinc/10/58/81/217105881.db2.gz OJBUOAYVGBCQPW-SUMWQHHRSA-N 1 1 285.391 3.007 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H]3CCC[C@H]32)c1C ZINC000426471881 372159723 /nfs/dbraw/zinc/15/97/23/372159723.db2.gz XLRCPQIZZQGWPO-DOTOQJQBSA-N 1 1 286.419 3.348 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(OC)c(OC)c(OC)c1 ZINC000426571770 372165290 /nfs/dbraw/zinc/16/52/90/372165290.db2.gz WEMGCGFGAYMQSQ-CQSZACIVSA-N 1 1 291.391 3.253 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cnc2cc(C)ccn12 ZINC000426571108 372165433 /nfs/dbraw/zinc/16/54/33/372165433.db2.gz RRAAYCQGJBCIHR-AWEZNQCLSA-N 1 1 255.365 3.183 20 30 CGEDMO CC(C)[N@@H+](CC#Cc1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000291602236 372171409 /nfs/dbraw/zinc/17/14/09/372171409.db2.gz BXTDCYYJAVOOJC-INIZCTEOSA-N 1 1 277.795 3.191 20 30 CGEDMO C=CC[C@H](C(=O)NCC[N@@H+]1CC=C(C)CC1)c1ccccc1 ZINC000427953625 372177430 /nfs/dbraw/zinc/17/74/30/372177430.db2.gz YZQJIQRIFCMGAR-SFHVURJKSA-N 1 1 298.430 3.115 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](O)C[C@@H]2C)cc1Cl ZINC000292823054 372217973 /nfs/dbraw/zinc/21/79/73/372217973.db2.gz QEKVSYVBNPFAKO-JSGCOSHPSA-N 1 1 295.810 3.250 20 30 CGEDMO C=CCC(C)(C)C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000292242430 372185481 /nfs/dbraw/zinc/18/54/81/372185481.db2.gz LOSXAWIKCHOWNP-UHFFFAOYSA-N 1 1 288.435 3.357 20 30 CGEDMO Cc1cccc([C@H]2CCC[N@H+]2CCCSCC#N)n1 ZINC000160035133 372204738 /nfs/dbraw/zinc/20/47/38/372204738.db2.gz BDDDVWQINQVYKT-OAHLLOKOSA-N 1 1 275.421 3.174 20 30 CGEDMO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2Br)[C@H]1C ZINC000292905054 372243330 /nfs/dbraw/zinc/24/33/30/372243330.db2.gz DZHPEOATAJMTGZ-UWVGGRQHSA-N 1 1 279.181 3.161 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Br)[C@H]1C ZINC000292905054 372243334 /nfs/dbraw/zinc/24/33/34/372243334.db2.gz DZHPEOATAJMTGZ-UWVGGRQHSA-N 1 1 279.181 3.161 20 30 CGEDMO CC(C)C[C@@H](C)C[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428773646 372263842 /nfs/dbraw/zinc/26/38/42/372263842.db2.gz SAJOERGYFVWUSN-ZBFHGGJFSA-N 1 1 287.407 3.089 20 30 CGEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](CCC3CCCCC3)C2)nc1 ZINC000428793662 372263928 /nfs/dbraw/zinc/26/39/28/372263928.db2.gz LBZCSDRVCODFSF-QGZVFWFLSA-N 1 1 299.418 3.377 20 30 CGEDMO COC[C@@H]1CCCC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000344320731 217147295 /nfs/dbraw/zinc/14/72/95/217147295.db2.gz HGGSIGNCKXXRJN-GDBMZVCRSA-N 1 1 272.392 3.368 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000429888129 372379085 /nfs/dbraw/zinc/37/90/85/372379085.db2.gz FKNPAXFBFMIUME-OWCLPIDISA-N 1 1 292.467 3.453 20 30 CGEDMO CC[N@@H+](C[C@@H](C)C#N)C[C@@H]1CCOc2ccccc21 ZINC000162759227 372416834 /nfs/dbraw/zinc/41/68/34/372416834.db2.gz NWLDGJIBTFRMDA-KBPBESRZSA-N 1 1 258.365 3.034 20 30 CGEDMO C=CCC(CC=C)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000163557592 372478907 /nfs/dbraw/zinc/47/89/07/372478907.db2.gz LRJQABPAEUUUHW-INIZCTEOSA-N 1 1 292.467 3.239 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000168931530 372623743 /nfs/dbraw/zinc/62/37/43/372623743.db2.gz IQNJJTFESCGCKB-UHFFFAOYSA-N 1 1 274.261 3.484 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)c(F)c1 ZINC000170688706 372650777 /nfs/dbraw/zinc/65/07/77/372650777.db2.gz IVRDRXWXKKOAGR-QGZVFWFLSA-N 1 1 295.361 3.384 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@H](O)CC(C)(C)C2)c1 ZINC000295143988 372695489 /nfs/dbraw/zinc/69/54/89/372695489.db2.gz BZXBVRTXAITLGU-INIZCTEOSA-N 1 1 289.419 3.234 20 30 CGEDMO Cc1nocc1C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000295266465 372723419 /nfs/dbraw/zinc/72/34/19/372723419.db2.gz HJGXQAGCAJWWLP-UHFFFAOYSA-N 1 1 267.332 3.019 20 30 CGEDMO Cc1nocc1C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000295266465 372723424 /nfs/dbraw/zinc/72/34/24/372723424.db2.gz HJGXQAGCAJWWLP-UHFFFAOYSA-N 1 1 267.332 3.019 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)C(C1CC1)C1CC1 ZINC000435331214 372752095 /nfs/dbraw/zinc/75/20/95/372752095.db2.gz ZGVSSWNPJAMTOH-UHFFFAOYSA-N 1 1 297.402 3.007 20 30 CGEDMO C[C@H]1CCCC[N@@H+]1CCCN[C@H]1CCc2ccc(C#N)cc21 ZINC000353412325 220069145 /nfs/dbraw/zinc/06/91/45/220069145.db2.gz LSWODKLTWNGFRC-KXBFYZLASA-N 1 1 297.446 3.400 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCCN[C@H]1CCc2ccc(C#N)cc21 ZINC000353412325 220069148 /nfs/dbraw/zinc/06/91/48/220069148.db2.gz LSWODKLTWNGFRC-KXBFYZLASA-N 1 1 297.446 3.400 20 30 CGEDMO CCc1nc([C@H](C)[NH2+]Cc2ccc(C#N)cc2)cs1 ZINC000171786627 372825861 /nfs/dbraw/zinc/82/58/61/372825861.db2.gz CCZJYCGVMXIVRA-NSHDSACASA-N 1 1 271.389 3.428 20 30 CGEDMO C=CC[C@@H](C)NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437761569 372857149 /nfs/dbraw/zinc/85/71/49/372857149.db2.gz SMEFHWVHPBOHOS-GDBMZVCRSA-N 1 1 293.455 3.047 20 30 CGEDMO Cc1ccc2[nH]c(C[NH2+]Cc3ccc(C#N)cc3)nc2c1 ZINC000344715320 217285775 /nfs/dbraw/zinc/28/57/75/217285775.db2.gz NRWZTSIFIFXDQZ-UHFFFAOYSA-N 1 1 276.343 3.033 20 30 CGEDMO Cc1ccc2nc(C[NH2+]Cc3ccc(C#N)cc3)[nH]c2c1 ZINC000344715320 217285777 /nfs/dbraw/zinc/28/57/77/217285777.db2.gz NRWZTSIFIFXDQZ-UHFFFAOYSA-N 1 1 276.343 3.033 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@H]2C)c1 ZINC000438367875 372942925 /nfs/dbraw/zinc/94/29/25/372942925.db2.gz YCWDRNSTGNFZOX-RRFJBIMHSA-N 1 1 275.392 3.249 20 30 CGEDMO N#CCC[C@H](Nc1[nH+]cnc2[nH]ccc21)c1ccccc1 ZINC000439100571 372975142 /nfs/dbraw/zinc/97/51/42/372975142.db2.gz OGJKAWYZDJMFKS-AWEZNQCLSA-N 1 1 277.331 3.415 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@](COC)(C(=O)OCC)C1 ZINC000439474319 372978139 /nfs/dbraw/zinc/97/81/39/372978139.db2.gz WWIWALMZARIOEX-DOTOQJQBSA-N 1 1 297.439 3.023 20 30 CGEDMO CSCCC[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000439473714 372979243 /nfs/dbraw/zinc/97/92/43/372979243.db2.gz VWBPMPNRLQSVEX-UHFFFAOYSA-N 1 1 267.825 3.376 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)CC1(CC(=O)OC)CC1 ZINC000440705729 372991091 /nfs/dbraw/zinc/99/10/91/372991091.db2.gz PKSCUWBIXHVDGR-UHFFFAOYSA-N 1 1 273.376 3.018 20 30 CGEDMO CC[NH+](CC)[C@H](CN[C@H]1CC[C@H](C#N)C1)CC(C)C ZINC000442710476 373068257 /nfs/dbraw/zinc/06/82/57/373068257.db2.gz CQDMUWDDOBCJQO-JYJNAYRXSA-N 1 1 265.445 3.025 20 30 CGEDMO COc1cc(C[N@@H+](C)[C@@H](C)c2cccnc2)ccc1C#N ZINC000442832708 373098836 /nfs/dbraw/zinc/09/88/36/373098836.db2.gz FMNCAEYBJFNCRT-ZDUSSCGKSA-N 1 1 281.359 3.155 20 30 CGEDMO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2C#N)[C@@H](C)C[N@H+]1C ZINC000443502811 373156610 /nfs/dbraw/zinc/15/66/10/373156610.db2.gz SUCIAXRMQSSTOX-MNOVXSKESA-N 1 1 297.324 3.106 20 30 CGEDMO Cc1cc(CNC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)ccc1C#N ZINC000443977391 373164683 /nfs/dbraw/zinc/16/46/83/373164683.db2.gz IEWYARIFHSCDDV-GDBMZVCRSA-N 1 1 285.435 3.077 20 30 CGEDMO Cc1cc(CNC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)ccc1C#N ZINC000443977391 373164693 /nfs/dbraw/zinc/16/46/93/373164693.db2.gz IEWYARIFHSCDDV-GDBMZVCRSA-N 1 1 285.435 3.077 20 30 CGEDMO COc1cc(C[N@H+]2CCCC[C@@H](SC)C2)ccc1C#N ZINC000442890243 373122753 /nfs/dbraw/zinc/12/27/53/373122753.db2.gz NZRXMZBWKJEJIV-OAHLLOKOSA-N 1 1 290.432 3.284 20 30 CGEDMO C[N@@H+](CCCCC(C)(C)C#N)CC(=O)Nc1ccccc1 ZINC000444583967 373203809 /nfs/dbraw/zinc/20/38/09/373203809.db2.gz QSBHVUCUFBVHGR-UHFFFAOYSA-N 1 1 287.407 3.277 20 30 CGEDMO C=CC[C@H]1[N@H+](CC(=O)NC2CCCC2)CCCC1(C)C ZINC000444776979 373272020 /nfs/dbraw/zinc/27/20/20/373272020.db2.gz QTOGQJBEOKEVCL-OAHLLOKOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[C@H]1[N@@H+](C[C@@H](O)CCOC(C)C)CCCC1(C)C ZINC000444783207 373275692 /nfs/dbraw/zinc/27/56/92/373275692.db2.gz KJTWGZWQZLDUMO-JKSUJKDBSA-N 1 1 283.456 3.229 20 30 CGEDMO CCOC(=O)[C@@H](C)[N@@H+](CCCCC(C)(C)C#N)C1CC1 ZINC000444691809 373238771 /nfs/dbraw/zinc/23/87/71/373238771.db2.gz DHTXZZAEWIMWEB-CYBMUJFWSA-N 1 1 280.412 3.122 20 30 CGEDMO N#CCSCCC[N@H+]1CCCC2(CCCC2)C1 ZINC000445842067 373316057 /nfs/dbraw/zinc/31/60/57/373316057.db2.gz PAKRBCHDRDQVFW-UHFFFAOYSA-N 1 1 252.427 3.289 20 30 CGEDMO CCc1ccc([C@H](COC)[NH2+]Cc2cccc(C#N)c2)o1 ZINC000174482269 373325262 /nfs/dbraw/zinc/32/52/62/373325262.db2.gz BWEIFKCZVIQDOV-INIZCTEOSA-N 1 1 284.359 3.191 20 30 CGEDMO C=CCCCCC[N@H+](C)CCC(=O)Nc1ccc(C)cn1 ZINC000447305596 373420683 /nfs/dbraw/zinc/42/06/83/373420683.db2.gz PCRRHYLAMNZBQY-UHFFFAOYSA-N 1 1 289.423 3.397 20 30 CGEDMO C=CCCCNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000447986021 373534576 /nfs/dbraw/zinc/53/45/76/373534576.db2.gz HZVFZQPQCTWNSG-IYBDPMFKSA-N 1 1 295.471 3.010 20 30 CGEDMO CN(CC[N@H+](C)Cc1ccccc1C#N)c1ccccc1 ZINC000353628084 220203656 /nfs/dbraw/zinc/20/36/56/220203656.db2.gz AGNWWPWRZPSFFV-UHFFFAOYSA-N 1 1 279.387 3.126 20 30 CGEDMO CN(CC[N@@H+](C)Cc1ccccc1C#N)c1ccccc1 ZINC000353628084 220203662 /nfs/dbraw/zinc/20/36/62/220203662.db2.gz AGNWWPWRZPSFFV-UHFFFAOYSA-N 1 1 279.387 3.126 20 30 CGEDMO N#CCCCC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000175821362 373525189 /nfs/dbraw/zinc/52/51/89/373525189.db2.gz FURHFMXUGCXZNA-ZIAGYGMSSA-N 1 1 278.421 3.330 20 30 CGEDMO C=CCCCC[C@H](C)[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000449077456 373658082 /nfs/dbraw/zinc/65/80/82/373658082.db2.gz RUNJYQKFRSLKAR-GJZGRUSLSA-N 1 1 250.430 3.195 20 30 CGEDMO C[C@@H]([N@@H+](C)CC(=O)N(CCC#N)c1ccccc1)C1(C)CC1 ZINC000177240277 373667538 /nfs/dbraw/zinc/66/75/38/373667538.db2.gz PSEPORVXZBUJMG-OAHLLOKOSA-N 1 1 299.418 3.054 20 30 CGEDMO N#Cc1ccc(NCC[N@H+]2CCc3ccccc3C2)c(F)c1 ZINC000301137979 373674026 /nfs/dbraw/zinc/67/40/26/373674026.db2.gz DVFXDCYUIAUHRH-UHFFFAOYSA-N 1 1 295.361 3.168 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@H]2C2CC2)cc1OC ZINC000449426029 373697678 /nfs/dbraw/zinc/69/76/78/373697678.db2.gz OMYJJYUIPCNPKQ-HNNXBMFYSA-N 1 1 273.376 3.244 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCNc1ccc(C#N)c(Cl)c1 ZINC000301287737 373731006 /nfs/dbraw/zinc/73/10/06/373731006.db2.gz ZUVCOUGVYKZJFK-LBPRGKRZSA-N 1 1 277.799 3.498 20 30 CGEDMO C=CCC[C@H]([NH2+]CCCN1CCCCC1)C1CC1 ZINC000178672977 373803933 /nfs/dbraw/zinc/80/39/33/373803933.db2.gz DFLBNGWGUGZZSH-INIZCTEOSA-N 1 1 250.430 3.197 20 30 CGEDMO C=CCC1(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)CCCC1 ZINC000449612871 373835769 /nfs/dbraw/zinc/83/57/69/373835769.db2.gz PCLJFTPZBHGHQZ-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO Cc1ccc(NCCCC[N@@H+]2CCCC[C@H]2C)nc1C#N ZINC000302592507 373901491 /nfs/dbraw/zinc/90/14/91/373901491.db2.gz AKMFHGMXXYDVGY-OAHLLOKOSA-N 1 1 286.423 3.328 20 30 CGEDMO CC[C@H](C)[C@H]([NH2+]CCCCC#N)C(=O)OC(C)(C)C ZINC000179846722 373924808 /nfs/dbraw/zinc/92/48/08/373924808.db2.gz RBZLZXXUHQQIOM-STQMWFEESA-N 1 1 268.401 3.026 20 30 CGEDMO C=CC[N@H+](CC(=O)N1CCC[C@@H](C)C1)CC1CCCCC1 ZINC000303426331 374015644 /nfs/dbraw/zinc/01/56/44/374015644.db2.gz BZQFNQKBEGKWSF-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CCCC1 ZINC000450105853 373987915 /nfs/dbraw/zinc/98/79/15/373987915.db2.gz QKQNHRFJWJJZFA-INIZCTEOSA-N 1 1 292.467 3.217 20 30 CGEDMO C[C@@H]([NH2+][C@@H](CO)c1ccccc1)c1ccc(C#N)cc1F ZINC000305801775 374113267 /nfs/dbraw/zinc/11/32/67/374113267.db2.gz DOOGGMHRBYCOLV-PXAZEXFGSA-N 1 1 284.334 3.082 20 30 CGEDMO C[C@H](c1ccccc1)[C@H](O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000450430508 374122227 /nfs/dbraw/zinc/12/22/27/374122227.db2.gz SGLSHUKLDNFUQO-NVXWUHKLSA-N 1 1 288.435 3.413 20 30 CGEDMO CCC(CC)[N@@H+](CC)C[C@H](O)c1ccc(C#N)cc1 ZINC000289496087 197376810 /nfs/dbraw/zinc/37/68/10/197376810.db2.gz SYOJHEWLDQJIIA-INIZCTEOSA-N 1 1 260.381 3.102 20 30 CGEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)CC2(C#N)CCC2)C1 ZINC000450457829 374143908 /nfs/dbraw/zinc/14/39/08/374143908.db2.gz SLISRUJUWFFWAV-CHWSQXEVSA-N 1 1 252.427 3.286 20 30 CGEDMO CC(C)[N@@H+](CCc1nccs1)CC1(C#N)CCC1 ZINC000450619584 374164563 /nfs/dbraw/zinc/16/45/63/374164563.db2.gz WYSVRHCYQXAHGL-UHFFFAOYSA-N 1 1 263.410 3.090 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)C[C@@H](O)CCc1ccccc1 ZINC000182437093 374271857 /nfs/dbraw/zinc/27/18/57/374271857.db2.gz ACXLOTWVILMWNV-SFHVURJKSA-N 1 1 288.435 3.242 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000076181192 541910319 /nfs/dbraw/zinc/91/03/19/541910319.db2.gz ALBZABMYHZBFAR-OCAPTIKFSA-N 1 1 261.209 3.235 20 30 CGEDMO C[C@H]1CCC[C@H]([N@@H+](C)CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000314908463 374323691 /nfs/dbraw/zinc/32/36/91/374323691.db2.gz GCOHAIMWUHPMKA-YOEHRIQHSA-N 1 1 299.418 3.397 20 30 CGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCC(C)(C)CC1 ZINC000316579495 374334716 /nfs/dbraw/zinc/33/47/16/374334716.db2.gz RYEVNJVBOKGTDM-CQSZACIVSA-N 1 1 299.418 3.397 20 30 CGEDMO CC(C)(C)[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000317891203 374341171 /nfs/dbraw/zinc/34/11/71/374341171.db2.gz VWCBDHALCMXLMN-HNNXBMFYSA-N 1 1 299.418 3.255 20 30 CGEDMO CC[C@@H]1CCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000331136282 374508739 /nfs/dbraw/zinc/50/87/39/374508739.db2.gz VFOXKMDPARCTAN-CYBMUJFWSA-N 1 1 296.374 3.230 20 30 CGEDMO N#CC1(C[NH2+]Cc2cscc2C(F)(F)F)CC1 ZINC000574562633 335029692 /nfs/dbraw/zinc/02/96/92/335029692.db2.gz BSIODNXEGODWPO-UHFFFAOYSA-N 1 1 260.284 3.160 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCOCC2(CCC2)C1 ZINC000334632275 374923815 /nfs/dbraw/zinc/92/38/15/374923815.db2.gz FMOGPSFWIFTXMK-CQSZACIVSA-N 1 1 270.376 3.122 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)cc1O ZINC000186829183 374926200 /nfs/dbraw/zinc/92/62/00/374926200.db2.gz CHMGNQMMZUEEHF-ZDUSSCGKSA-N 1 1 296.370 3.465 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC000467300096 374974169 /nfs/dbraw/zinc/97/41/69/374974169.db2.gz ATMWYFLLFHMZSC-KRWDZBQOSA-N 1 1 292.398 3.147 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](CCC)Cc1ccc(F)cc1 ZINC000472773902 375034242 /nfs/dbraw/zinc/03/42/42/375034242.db2.gz RGKVIESVAPBSLW-INIZCTEOSA-N 1 1 265.372 3.365 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCSC(C)(C)C1 ZINC000187695608 375075297 /nfs/dbraw/zinc/07/52/97/375075297.db2.gz OPOMIESGMJOAER-LBPRGKRZSA-N 1 1 260.406 3.447 20 30 CGEDMO COCC[N@H+](CC#Cc1ccccc1)CCc1ccccc1 ZINC000483597675 375183660 /nfs/dbraw/zinc/18/36/60/375183660.db2.gz LOKXTXMHFJFALR-UHFFFAOYSA-N 1 1 293.410 3.229 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000481269802 375163703 /nfs/dbraw/zinc/16/37/03/375163703.db2.gz PIDYBCQUQWXXGB-MRXNPFEDSA-N 1 1 291.435 3.232 20 30 CGEDMO C=CC[N@H+]1[C@H](C(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21 ZINC000481826907 375167732 /nfs/dbraw/zinc/16/77/32/375167732.db2.gz WPQRPDPSGPGDNV-IHRRRGAJSA-N 1 1 265.397 3.147 20 30 CGEDMO C=CC[N@H+](Cc1cc(C#N)n(C)c1)CC1CCCCC1 ZINC000483260226 375178028 /nfs/dbraw/zinc/17/80/28/375178028.db2.gz OQXIAAXRFHKGCQ-UHFFFAOYSA-N 1 1 271.408 3.465 20 30 CGEDMO C[C@@H]1CCCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000187948693 375124227 /nfs/dbraw/zinc/12/42/27/375124227.db2.gz BXPYUDWTDYSHFY-CQSZACIVSA-N 1 1 285.391 3.009 20 30 CGEDMO COc1ccc2c(c1)CC[N@H+](CC#Cc1ccccc1)CC2 ZINC000484100949 375186807 /nfs/dbraw/zinc/18/68/07/375186807.db2.gz XGNXTGAGSVPMLJ-UHFFFAOYSA-N 1 1 291.394 3.148 20 30 CGEDMO C[C@@H]1[N@@H+](Cc2ccccc2C(C)(C)C#N)CCOC1(C)C ZINC000486792951 375198177 /nfs/dbraw/zinc/19/81/77/375198177.db2.gz VPHXDJJBSSKNLM-AWEZNQCLSA-N 1 1 286.419 3.487 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](c3cccnc3)C2)c1F ZINC000335419789 375278126 /nfs/dbraw/zinc/27/81/26/375278126.db2.gz YABDEBUBNQFIFZ-OAHLLOKOSA-N 1 1 281.334 3.082 20 30 CGEDMO CCCC[N@@H+](CCOC)Cc1ccc(C#N)c(C)c1 ZINC000487863448 375278658 /nfs/dbraw/zinc/27/86/58/375278658.db2.gz UZDXJXFZSZMYLV-UHFFFAOYSA-N 1 1 260.381 3.115 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)[C@@H](C)Cc2ccsc2)n1 ZINC000491325594 375326174 /nfs/dbraw/zinc/32/61/74/375326174.db2.gz DYDNZEREBFVNGI-AWEZNQCLSA-N 1 1 287.432 3.031 20 30 CGEDMO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1nc(C#N)cs1 ZINC000335728831 375383706 /nfs/dbraw/zinc/38/37/06/375383706.db2.gz OPIPXQKGTLXVTR-WFASDCNBSA-N 1 1 283.400 3.393 20 30 CGEDMO C[C@H]1CC[C@@](CO)([N@@H+](C)CC#Cc2ccc(Cl)cc2)C1 ZINC000495247364 375499509 /nfs/dbraw/zinc/49/95/09/375499509.db2.gz NDPZFKWGBOLRFJ-WMLDXEAASA-N 1 1 291.822 3.174 20 30 CGEDMO C=C(C)CN(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)CC(=C)C ZINC000495406077 375500264 /nfs/dbraw/zinc/50/02/64/375500264.db2.gz FDOIWUGGADPGBS-IYBDPMFKSA-N 1 1 250.430 3.313 20 30 CGEDMO C=C(C)CN(C)[C@H]1CCCC[C@H]1[N@H+](C)CC(=C)C ZINC000495406077 375500269 /nfs/dbraw/zinc/50/02/69/375500269.db2.gz FDOIWUGGADPGBS-IYBDPMFKSA-N 1 1 250.430 3.313 20 30 CGEDMO C=C(C)CN(C)[C@H]1CCCC[C@H]1[N@@H+](C)CC(=C)C ZINC000495406077 375500275 /nfs/dbraw/zinc/50/02/75/375500275.db2.gz FDOIWUGGADPGBS-IYBDPMFKSA-N 1 1 250.430 3.313 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000496025256 375511712 /nfs/dbraw/zinc/51/17/12/375511712.db2.gz VTRSSNXFGXKAHR-HUUCEWRRSA-N 1 1 294.439 3.141 20 30 CGEDMO C[C@@]1([NH2+]Cc2nc(C#N)cs2)CCCc2ccccc21 ZINC000336007268 375612870 /nfs/dbraw/zinc/61/28/70/375612870.db2.gz QXKOZQDVVJUHIY-MRXNPFEDSA-N 1 1 283.400 3.356 20 30 CGEDMO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2cc(C#N)n(C)c2)C1 ZINC000191433741 375628075 /nfs/dbraw/zinc/62/80/75/375628075.db2.gz XRIAQIJDYXEHIL-ZFWWWQNUSA-N 1 1 277.437 3.003 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@H](C)CO ZINC000120489908 542010497 /nfs/dbraw/zinc/01/04/97/542010497.db2.gz IRUNEZPKPOKFCM-JTQLQIEISA-N 1 1 259.802 3.018 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)NCCCCC ZINC000502468761 375645847 /nfs/dbraw/zinc/64/58/47/375645847.db2.gz PPHXXOIVFYNGHG-MRXNPFEDSA-N 1 1 288.435 3.370 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)NCCCCC ZINC000502468761 375645854 /nfs/dbraw/zinc/64/58/54/375645854.db2.gz PPHXXOIVFYNGHG-MRXNPFEDSA-N 1 1 288.435 3.370 20 30 CGEDMO CN(CC[C@H]1CCCC[N@H+]1C)Cc1ccc(C#N)c(F)c1 ZINC000192043484 375692746 /nfs/dbraw/zinc/69/27/46/375692746.db2.gz FJSOHMMQHNPBHO-MRXNPFEDSA-N 1 1 289.398 3.004 20 30 CGEDMO C[N@@H+](Cc1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC000191907164 375675145 /nfs/dbraw/zinc/67/51/45/375675145.db2.gz AGMGBTYVJXZPEP-UHFFFAOYSA-N 1 1 254.308 3.329 20 30 CGEDMO COc1ccc(F)c(C[N@H+](C)Cc2cccc(C#N)c2)c1 ZINC000507194847 375684949 /nfs/dbraw/zinc/68/49/49/375684949.db2.gz YJOTVCQQQPPHLC-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO COc1ccc(F)c(C[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC000507194847 375684955 /nfs/dbraw/zinc/68/49/55/375684955.db2.gz YJOTVCQQQPPHLC-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO COc1ccccc1CC[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000191996138 375688453 /nfs/dbraw/zinc/68/84/53/375688453.db2.gz GYWGLGFJRMMBFV-UHFFFAOYSA-N 1 1 298.361 3.380 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000509618553 375781451 /nfs/dbraw/zinc/78/14/51/375781451.db2.gz DDAACSGPJWZVKR-CYBMUJFWSA-N 1 1 253.386 3.006 20 30 CGEDMO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1nnc2ccccn21 ZINC000192738788 375784882 /nfs/dbraw/zinc/78/48/82/375784882.db2.gz SIRXAGKRTOPKGL-CHWSQXEVSA-N 1 1 291.358 3.013 20 30 CGEDMO Cc1ccc2nc(C[NH2+][C@@H]3CCC[C@@H](C#N)C3)[nH]c2c1 ZINC000336251898 375764714 /nfs/dbraw/zinc/76/47/14/375764714.db2.gz KSKDQTCENSJZEP-CHWSQXEVSA-N 1 1 268.364 3.043 20 30 CGEDMO Cc1cc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)no1 ZINC000336473397 375798879 /nfs/dbraw/zinc/79/88/79/375798879.db2.gz MOIZUSYJQREATB-MRXNPFEDSA-N 1 1 267.332 3.022 20 30 CGEDMO FC(F)OC[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000512805501 375799706 /nfs/dbraw/zinc/79/97/06/375799706.db2.gz HOYKSJHELHLURG-ZDUSSCGKSA-N 1 1 299.748 3.253 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000336495266 375799983 /nfs/dbraw/zinc/79/99/83/375799983.db2.gz WCNVXYPLTOHLDH-SMDDNHRTSA-N 1 1 298.308 3.008 20 30 CGEDMO C=CCCCNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000516489067 375821104 /nfs/dbraw/zinc/82/11/04/375821104.db2.gz VLRSDEZUDOFGMI-CQSZACIVSA-N 1 1 280.799 3.025 20 30 CGEDMO C=CCCCCCNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000516086024 375817898 /nfs/dbraw/zinc/81/78/98/375817898.db2.gz OXZPACCEUOKQQB-CVEARBPZSA-N 1 1 295.471 3.247 20 30 CGEDMO C=CC[C@@H](CO)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000193284089 375853135 /nfs/dbraw/zinc/85/31/35/375853135.db2.gz JMGNLBJIILBCQY-IUCAKERBSA-N 1 1 290.190 3.287 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)C[C@@H](O)Cc1ccccc1 ZINC000193290691 375854279 /nfs/dbraw/zinc/85/42/79/375854279.db2.gz KDFLRJALGLQRHS-INIZCTEOSA-N 1 1 287.428 3.340 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@]3(CCCOC3)C2)c1F ZINC000336615446 375878122 /nfs/dbraw/zinc/87/81/22/375878122.db2.gz LFHBHZTWPFKOLL-QGZVFWFLSA-N 1 1 288.366 3.090 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000528471964 375903616 /nfs/dbraw/zinc/90/36/16/375903616.db2.gz IURGNXXVLRTGGV-AWEZNQCLSA-N 1 1 296.773 3.092 20 30 CGEDMO CCc1ccc([C@@H]2CC[N@@H+](C[C@H](O)CC3(C#N)CC3)C2)cc1 ZINC000528513049 375903798 /nfs/dbraw/zinc/90/37/98/375903798.db2.gz QOQFZSZJXRBZOJ-QZTJIDSGSA-N 1 1 298.430 3.093 20 30 CGEDMO N#CCCC[N@H+]1CCC[C@]2(CCc3ccccc3O2)C1 ZINC000528734620 375908957 /nfs/dbraw/zinc/90/89/57/375908957.db2.gz LOQQZLDNCLNQJB-KRWDZBQOSA-N 1 1 270.376 3.150 20 30 CGEDMO Cc1ccc(C)c(OCC[N@@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000532818199 375954121 /nfs/dbraw/zinc/95/41/21/375954121.db2.gz MVWXTZBDVIAFLL-AWEZNQCLSA-N 1 1 272.392 3.306 20 30 CGEDMO Cc1ccc(C)c(OCC[N@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000532818199 375954124 /nfs/dbraw/zinc/95/41/24/375954124.db2.gz MVWXTZBDVIAFLL-AWEZNQCLSA-N 1 1 272.392 3.306 20 30 CGEDMO Cc1ccccc1OCCC[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000533598801 375957820 /nfs/dbraw/zinc/95/78/20/375957820.db2.gz HFQRJSUMWJFSKR-AWEZNQCLSA-N 1 1 272.392 3.388 20 30 CGEDMO Cc1ccccc1OCCC[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000533598801 375957830 /nfs/dbraw/zinc/95/78/30/375957830.db2.gz HFQRJSUMWJFSKR-AWEZNQCLSA-N 1 1 272.392 3.388 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C1CCOCC1 ZINC000531177851 375945024 /nfs/dbraw/zinc/94/50/24/375945024.db2.gz KWXDVFWMGSFBAG-UHFFFAOYSA-N 1 1 297.320 3.168 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000532378402 375950842 /nfs/dbraw/zinc/95/08/42/375950842.db2.gz VGKKSKSIWHUZCJ-JSGCOSHPSA-N 1 1 263.356 3.072 20 30 CGEDMO Cc1cc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)nn1C ZINC000336833630 375996941 /nfs/dbraw/zinc/99/69/41/375996941.db2.gz CVXCAPJDBUHMMH-UHFFFAOYSA-N 1 1 282.391 3.011 20 30 CGEDMO Cc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)nn1C ZINC000336833630 375996948 /nfs/dbraw/zinc/99/69/48/375996948.db2.gz CVXCAPJDBUHMMH-UHFFFAOYSA-N 1 1 282.391 3.011 20 30 CGEDMO CC(C)(C)C1=CC[N@H+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000534692708 375997566 /nfs/dbraw/zinc/99/75/66/375997566.db2.gz RQOWYQIUVFCCCJ-UHFFFAOYSA-N 1 1 297.402 3.175 20 30 CGEDMO CC(C)(C)C1=CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000534692708 375997575 /nfs/dbraw/zinc/99/75/75/375997575.db2.gz RQOWYQIUVFCCCJ-UHFFFAOYSA-N 1 1 297.402 3.175 20 30 CGEDMO C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)O1 ZINC000336845045 376007417 /nfs/dbraw/zinc/00/74/17/376007417.db2.gz NMVVRLWWHPTEFL-NRSFXHEJSA-N 1 1 284.403 3.326 20 30 CGEDMO C[C@@H]1CC[C@H](C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)O1 ZINC000336845045 376007420 /nfs/dbraw/zinc/00/74/20/376007420.db2.gz NMVVRLWWHPTEFL-NRSFXHEJSA-N 1 1 284.403 3.326 20 30 CGEDMO CC(C)COCC[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000336827864 375986196 /nfs/dbraw/zinc/98/61/96/375986196.db2.gz LWQQZKKRLKYIGJ-UHFFFAOYSA-N 1 1 274.408 3.441 20 30 CGEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2cccc(O)c2)CC1 ZINC000194886319 376055931 /nfs/dbraw/zinc/05/59/31/376055931.db2.gz QLVLQAQYLUFOKT-CQSZACIVSA-N 1 1 274.408 3.083 20 30 CGEDMO CC(C)[N@H+](CCC#N)Cc1ccc(OC(F)F)cc1 ZINC000535794678 376062393 /nfs/dbraw/zinc/06/23/93/376062393.db2.gz WAJDQBMBGYWZOZ-UHFFFAOYSA-N 1 1 268.307 3.412 20 30 CGEDMO CC(C)[N@@H+](CCC#N)Cc1ccc(OC(F)F)cc1 ZINC000535794678 376062399 /nfs/dbraw/zinc/06/23/99/376062399.db2.gz WAJDQBMBGYWZOZ-UHFFFAOYSA-N 1 1 268.307 3.412 20 30 CGEDMO COC(=O)c1cccc(C[N@@H+]([C@@H](C)C2CC2)C2CC2)c1C#N ZINC000535981630 376075162 /nfs/dbraw/zinc/07/51/62/376075162.db2.gz JMUSICJKMSMAMI-LBPRGKRZSA-N 1 1 298.386 3.108 20 30 CGEDMO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C3CCC3)cc2)C1=O ZINC000337224140 376149119 /nfs/dbraw/zinc/14/91/19/376149119.db2.gz NGBKWMPAGVYZGC-GOSISDBHSA-N 1 1 298.430 3.173 20 30 CGEDMO Cc1cc(F)cc2c1C[N@@H+](CCC(C)(C)C#N)CC2 ZINC000337398497 376218797 /nfs/dbraw/zinc/21/87/97/376218797.db2.gz JUKVLWHCKSVJHM-UHFFFAOYSA-N 1 1 260.356 3.432 20 30 CGEDMO C=C[C@H](CC(=O)NCCCn1cc[nH+]c1C)c1ccccc1 ZINC000338178458 376273270 /nfs/dbraw/zinc/27/32/70/376273270.db2.gz SSAYJWYURLKLTH-MRXNPFEDSA-N 1 1 297.402 3.058 20 30 CGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H]3CCCC[C@H]32)cc1 ZINC000226108114 376340748 /nfs/dbraw/zinc/34/07/48/376340748.db2.gz GICZXVVCWAKHFB-KBAYOESNSA-N 1 1 284.403 3.246 20 30 CGEDMO C=C(CC)CN1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000539105239 376294566 /nfs/dbraw/zinc/29/45/66/376294566.db2.gz OWAIHHSKAQUXGJ-INIZCTEOSA-N 1 1 288.435 3.340 20 30 CGEDMO N#Cc1cccc(OCC[N@H+]2CCC[C@@H]3CCC[C@H]32)c1 ZINC000228012525 376423252 /nfs/dbraw/zinc/42/32/52/376423252.db2.gz MXXNHEJYVSTCTR-DOTOQJQBSA-N 1 1 270.376 3.202 20 30 CGEDMO C=C(CC)C[N@@H+](C)[C@@H](CO)c1cccc(Br)c1 ZINC000540197897 376365652 /nfs/dbraw/zinc/36/56/52/376365652.db2.gz QLQGMUDOYWTNCR-AWEZNQCLSA-N 1 1 298.224 3.381 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H](C(=O)NCCCC)C1 ZINC000540341189 376370828 /nfs/dbraw/zinc/37/08/28/376370828.db2.gz XHWDDVUFYVQVLN-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO CCCC[N@@H+]1CCCC[C@H]1CNCc1ccc(C#N)s1 ZINC000540609144 376385817 /nfs/dbraw/zinc/38/58/17/376385817.db2.gz CYEABXPGRGUJIL-AWEZNQCLSA-N 1 1 291.464 3.364 20 30 CGEDMO CCCC[N@H+]1CCCC[C@H]1CNCc1ccc(C#N)s1 ZINC000540609144 376385824 /nfs/dbraw/zinc/38/58/24/376385824.db2.gz CYEABXPGRGUJIL-AWEZNQCLSA-N 1 1 291.464 3.364 20 30 CGEDMO CC[N@@H+](CCOc1cccc(C#N)c1)CC1CCC1 ZINC000230316460 376503025 /nfs/dbraw/zinc/50/30/25/376503025.db2.gz XORKLDYFIMXEAX-UHFFFAOYSA-N 1 1 258.365 3.059 20 30 CGEDMO CC[N@@H+](CCCOc1cccc(C#N)c1)CC1CCC1 ZINC000230316642 376506859 /nfs/dbraw/zinc/50/68/59/376506859.db2.gz NLJOHLGQNLBEFJ-UHFFFAOYSA-N 1 1 272.392 3.449 20 30 CGEDMO COC(=O)c1cccc(C[N@@H+](C)C[C@H]2CC=CCC2)c1C#N ZINC000542248327 376522953 /nfs/dbraw/zinc/52/29/53/376522953.db2.gz NCYSHLXYDKDIMP-AWEZNQCLSA-N 1 1 298.386 3.133 20 30 CGEDMO CCC1CCC([N@@H+](CCOCCC#N)C2CC2)CC1 ZINC000338916248 376572417 /nfs/dbraw/zinc/57/24/17/376572417.db2.gz SDWJOGDXNWMKLX-UHFFFAOYSA-N 1 1 264.413 3.350 20 30 CGEDMO COc1cc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)ccc1C#N ZINC000235003717 376628536 /nfs/dbraw/zinc/62/85/36/376628536.db2.gz BMLXNNXGEWXNCK-BETUJISGSA-N 1 1 258.365 3.045 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)C[C@H](O)CCc1ccccc1 ZINC000543479491 376648323 /nfs/dbraw/zinc/64/83/23/376648323.db2.gz DSOGZSDRMFAJHA-GOSISDBHSA-N 1 1 299.414 3.304 20 30 CGEDMO C=CC[NH+](CC=C)[C@H](CNCc1ccc(C)o1)C(C)C ZINC000236696091 376684151 /nfs/dbraw/zinc/68/41/51/376684151.db2.gz KBQWBFBNKDHPQX-QGZVFWFLSA-N 1 1 276.424 3.376 20 30 CGEDMO CC1(C)C[N@@H+](CCCSCC#N)[C@H]2CCC[C@H]21 ZINC000339719408 376823437 /nfs/dbraw/zinc/82/34/37/376823437.db2.gz OPNLTJXTWXOFIU-OLZOCXBDSA-N 1 1 252.427 3.144 20 30 CGEDMO CC(C)[C@@]1(CO)CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000339705136 376817153 /nfs/dbraw/zinc/81/71/53/376817153.db2.gz DXUKVCUYDBRCIY-INIZCTEOSA-N 1 1 266.429 3.047 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccc(C)c(Cl)c1 ZINC000556036685 376859787 /nfs/dbraw/zinc/85/97/87/376859787.db2.gz BPRDKLIDNOMYCR-UHFFFAOYSA-N 1 1 253.773 3.283 20 30 CGEDMO C=C(CC)C[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000556529408 376863788 /nfs/dbraw/zinc/86/37/88/376863788.db2.gz FNSBEGQABDMXTO-UHFFFAOYSA-N 1 1 280.362 3.443 20 30 CGEDMO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1ccc(CC)cc1 ZINC000556571973 376864231 /nfs/dbraw/zinc/86/42/31/376864231.db2.gz AZPJCCQWCHWRTM-CQSZACIVSA-N 1 1 272.392 3.250 20 30 CGEDMO Cc1cc(C[N@H+]2CCCO[C@H](C(C)C)C2)ccc1C#N ZINC000339835207 376868525 /nfs/dbraw/zinc/86/85/25/376868525.db2.gz UHBHVRJHOBXTLC-KRWDZBQOSA-N 1 1 272.392 3.114 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCS[C@H]3CCCC[C@H]32)o1 ZINC000245735517 376895868 /nfs/dbraw/zinc/89/58/68/376895868.db2.gz KQOJTWCCFKIAMK-KGLIPLIRSA-N 1 1 262.378 3.011 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000245948533 376941181 /nfs/dbraw/zinc/94/11/81/376941181.db2.gz SDRMEXRJFYSTLJ-CHWSQXEVSA-N 1 1 258.365 3.045 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C[C@@H](C)C1 ZINC000246117626 376969148 /nfs/dbraw/zinc/96/91/48/376969148.db2.gz KDJISSJKLNAYLH-KGLIPLIRSA-N 1 1 282.391 3.074 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCC(F)(F)C1 ZINC000340288369 376985353 /nfs/dbraw/zinc/98/53/53/376985353.db2.gz ZZICEEKBSJKMRG-CQSZACIVSA-N 1 1 264.319 3.425 20 30 CGEDMO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NCc1ccc(C#N)s1 ZINC000247379662 377199086 /nfs/dbraw/zinc/19/90/86/377199086.db2.gz UDANGIYTWYZNBU-MJBXVCDLSA-N 1 1 291.464 3.076 20 30 CGEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NCc1ccc(C#N)s1 ZINC000247379662 377199092 /nfs/dbraw/zinc/19/90/92/377199092.db2.gz UDANGIYTWYZNBU-MJBXVCDLSA-N 1 1 291.464 3.076 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000247641120 377229171 /nfs/dbraw/zinc/22/91/71/377229171.db2.gz VQUYMTJSOAFZJP-HYVNUMGLSA-N 1 1 259.393 3.192 20 30 CGEDMO N#Cc1cccc(C[NH+]2CCC(OCC3CC3)CC2)c1F ZINC000340902875 377311873 /nfs/dbraw/zinc/31/18/73/377311873.db2.gz UOANEGQGITWKFL-UHFFFAOYSA-N 1 1 288.366 3.088 20 30 CGEDMO C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C#N)c2)[C@@H]2CCCC[C@@H]21 ZINC000248417239 377314108 /nfs/dbraw/zinc/31/41/08/377314108.db2.gz JJIBCJAJTUBFMH-KBRIMQKVSA-N 1 1 297.402 3.007 20 30 CGEDMO CC#CCC[N@@H+](C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000248396403 377306126 /nfs/dbraw/zinc/30/61/26/377306126.db2.gz QBUVTAICKSLXRU-HKUYNNGSSA-N 1 1 284.447 3.385 20 30 CGEDMO N#Cc1c(Cl)cccc1NCc1c[nH+]c2n1CCCC2 ZINC000562695812 377349259 /nfs/dbraw/zinc/34/92/59/377349259.db2.gz IRLYXFDZKYYEPP-UHFFFAOYSA-N 1 1 286.766 3.357 20 30 CGEDMO CN(C)CC[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)C(C)(C)C ZINC000248882621 377420746 /nfs/dbraw/zinc/42/07/46/377420746.db2.gz RUIFYHNQGJGPCX-KFWWJZLASA-N 1 1 265.445 3.025 20 30 CGEDMO CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000248903912 377425592 /nfs/dbraw/zinc/42/55/92/377425592.db2.gz WXTHGTHENNDLFZ-ZIAGYGMSSA-N 1 1 285.391 3.007 20 30 CGEDMO COc1cccc(C[C@H]2CCC[N@H+]2CC2(C#N)CCC2)c1 ZINC000567214341 377505555 /nfs/dbraw/zinc/50/55/55/377505555.db2.gz CXULPBIHYMOZLR-MRXNPFEDSA-N 1 1 284.403 3.396 20 30 CGEDMO C=CCCCCCNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000565609436 377489505 /nfs/dbraw/zinc/48/95/05/377489505.db2.gz WKFDXXUYYLDXOT-HNNXBMFYSA-N 1 1 266.429 3.114 20 30 CGEDMO Cc1oc2ccccc2c1C[NH2+]C[C@@H](C#N)CCC#N ZINC000565867260 377491303 /nfs/dbraw/zinc/49/13/03/377491303.db2.gz YARVDORHRFSPKS-CYBMUJFWSA-N 1 1 267.332 3.274 20 30 CGEDMO N#Cc1ccc(OCC[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000313245168 249090097 /nfs/dbraw/zinc/09/00/97/249090097.db2.gz WFMPRNOWJJXMER-IYBDPMFKSA-N 1 1 270.376 3.059 20 30 CGEDMO N#Cc1cccnc1NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000265167390 190162885 /nfs/dbraw/zinc/16/28/85/190162885.db2.gz XRMCWGHEEKWOGS-QGZVFWFLSA-N 1 1 292.386 3.030 20 30 CGEDMO N#CCCC[C@H]([NH3+])c1nc(C2CCCCCC2)no1 ZINC000573722096 377566332 /nfs/dbraw/zinc/56/63/32/377566332.db2.gz FLAKMQYIBMYINF-LBPRGKRZSA-N 1 1 262.357 3.201 20 30 CGEDMO C=CC[C@@H](CC)NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000341655944 377610275 /nfs/dbraw/zinc/61/02/75/377610275.db2.gz STMKULIIPRDSQP-HZPDHXFCSA-N 1 1 274.408 3.150 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCCCC[C@@H]1CCO ZINC000342058537 377627721 /nfs/dbraw/zinc/62/77/21/377627721.db2.gz JYYLSUIOFHZMTE-OAHLLOKOSA-N 1 1 266.429 3.333 20 30 CGEDMO CCCC[N@@H+](C)C[C@@H](C)Nc1c(C#N)cnc2ccccc21 ZINC000574448249 377664467 /nfs/dbraw/zinc/66/44/67/377664467.db2.gz ZOCRGJZHVXTBPO-CQSZACIVSA-N 1 1 296.418 3.061 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000253091393 377673669 /nfs/dbraw/zinc/67/36/69/377673669.db2.gz JOFZEFLESKKEJD-BZUAXINKSA-N 1 1 278.440 3.332 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](OCCCc3ccccc3)C2)C1 ZINC000575022534 377738861 /nfs/dbraw/zinc/73/88/61/377738861.db2.gz HERTZSWNLLDUCZ-GUDVDZBRSA-N 1 1 298.430 3.402 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000342758651 377776106 /nfs/dbraw/zinc/77/61/06/377776106.db2.gz VWYIKACFOPUBNN-ZWKOTPCHSA-N 1 1 284.403 3.001 20 30 CGEDMO C=CCCNc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000265869001 190214028 /nfs/dbraw/zinc/21/40/28/190214028.db2.gz UZNUCFXIZVANPM-AWEZNQCLSA-N 1 1 260.381 3.068 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000342765320 377776881 /nfs/dbraw/zinc/77/68/81/377776881.db2.gz NACNICPEZXOXQB-NSHDSACASA-N 1 1 266.772 3.175 20 30 CGEDMO COCC[C@H]1CCCC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000342702746 377745041 /nfs/dbraw/zinc/74/50/41/377745041.db2.gz PAFXSCAWCJQBEF-CQSZACIVSA-N 1 1 290.382 3.336 20 30 CGEDMO C=CCC[N@@H+](C)[C@@H](C)c1nc(Cc2ccc(F)cc2)no1 ZINC000342715396 377752099 /nfs/dbraw/zinc/75/20/99/377752099.db2.gz AWDPIVNGVMYVDL-LBPRGKRZSA-N 1 1 289.354 3.368 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)c1nc(Cc2ccc(F)cc2)no1 ZINC000342715396 377752107 /nfs/dbraw/zinc/75/21/07/377752107.db2.gz AWDPIVNGVMYVDL-LBPRGKRZSA-N 1 1 289.354 3.368 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000342722735 377756586 /nfs/dbraw/zinc/75/65/86/377756586.db2.gz OVADSDGCKGXZAN-UHFFFAOYSA-N 1 1 266.772 3.095 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)N1CCc2sccc2[C@@H]1CC ZINC000342728678 377760056 /nfs/dbraw/zinc/76/00/56/377760056.db2.gz IJHCKQVQYSGBHR-AWEZNQCLSA-N 1 1 292.448 3.092 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000342740259 377765816 /nfs/dbraw/zinc/76/58/16/377765816.db2.gz RMBNJSYKRKHNIH-KRWDZBQOSA-N 1 1 288.435 3.398 20 30 CGEDMO C=CCC[N@@H+](C)CC(=O)Nc1nc2ccc(C)cc2s1 ZINC000342742387 377768799 /nfs/dbraw/zinc/76/87/99/377768799.db2.gz VSCWUMZMPJQCNY-UHFFFAOYSA-N 1 1 289.404 3.051 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)Nc1nc2ccc(C)cc2s1 ZINC000342742387 377768806 /nfs/dbraw/zinc/76/88/06/377768806.db2.gz VSCWUMZMPJQCNY-UHFFFAOYSA-N 1 1 289.404 3.051 20 30 CGEDMO CC[N@H+]1CCN(c2ccc(C(F)(F)F)c(C#N)c2)[C@H](C)C1 ZINC000343286187 377946701 /nfs/dbraw/zinc/94/67/01/377946701.db2.gz MIRXMFCRCBDKKR-LLVKDONJSA-N 1 1 297.324 3.107 20 30 CGEDMO COc1ccccc1[C@H]1CCC[N@@H+]1CC1(C#N)CC1 ZINC000343312706 377950473 /nfs/dbraw/zinc/95/04/73/377950473.db2.gz CFURUQYGODPTLV-CQSZACIVSA-N 1 1 256.349 3.136 20 30 CGEDMO COc1ccccc1[C@H]1CCC[N@H+]1CC1(C#N)CC1 ZINC000343312706 377950475 /nfs/dbraw/zinc/95/04/75/377950475.db2.gz CFURUQYGODPTLV-CQSZACIVSA-N 1 1 256.349 3.136 20 30 CGEDMO COCC[N@@H+](CCCCC#N)[C@H](C)c1ccccc1 ZINC000263796216 377950908 /nfs/dbraw/zinc/95/09/08/377950908.db2.gz ITWAEZOISYYXPQ-OAHLLOKOSA-N 1 1 260.381 3.390 20 30 CGEDMO CC(C)c1cccc(NC(=[NH2+])NC[C@H](C)N(C)C2CC2)c1 ZINC000264289322 377973079 /nfs/dbraw/zinc/97/30/79/377973079.db2.gz PMJVGQUBCKMEAE-ZDUSSCGKSA-N 1 1 288.439 3.019 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1ccccn1 ZINC000264312528 377975579 /nfs/dbraw/zinc/97/55/79/377975579.db2.gz ZAMCXSIITJSHBC-CYBMUJFWSA-N 1 1 251.333 3.146 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(OCC#N)cc2)CC1 ZINC000264574835 377988502 /nfs/dbraw/zinc/98/85/02/377988502.db2.gz TYCWUVVUUBCNOE-CQSZACIVSA-N 1 1 258.365 3.211 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2nc(C#N)cs2)[C@@H]2CCCC[C@H]12 ZINC000575844301 377995223 /nfs/dbraw/zinc/99/52/23/377995223.db2.gz WNTCASISFBYCLA-MRVWCRGKSA-N 1 1 275.421 3.415 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000343498104 377996270 /nfs/dbraw/zinc/99/62/70/377996270.db2.gz ACXXWKRZJQWBOP-HOCLYGCPSA-N 1 1 278.440 3.254 20 30 CGEDMO C=CCCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000343498102 377996940 /nfs/dbraw/zinc/99/69/40/377996940.db2.gz ACXXWKRZJQWBOP-GDBMZVCRSA-N 1 1 278.440 3.254 20 30 CGEDMO CCC[N@@H+](CC)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000266886530 378028139 /nfs/dbraw/zinc/02/81/39/378028139.db2.gz CHYKHLGYJBSDQE-UHFFFAOYSA-N 1 1 297.402 3.470 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CCS1 ZINC000343585282 378028854 /nfs/dbraw/zinc/02/88/54/378028854.db2.gz TTZXDVPQCPVCAF-INIZCTEOSA-N 1 1 274.433 3.326 20 30 CGEDMO N#CCC[N@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000267448307 378039380 /nfs/dbraw/zinc/03/93/80/378039380.db2.gz LCWCEBPSKKTXHS-KGLIPLIRSA-N 1 1 278.421 3.330 20 30 CGEDMO N#CCC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000267448307 378039386 /nfs/dbraw/zinc/03/93/86/378039386.db2.gz LCWCEBPSKKTXHS-KGLIPLIRSA-N 1 1 278.421 3.330 20 30 CGEDMO CC[C@@H]1CCCC[C@H]1[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000578370001 378062963 /nfs/dbraw/zinc/06/29/63/378062963.db2.gz MAZWBLHQMIBNGM-GDBMZVCRSA-N 1 1 259.397 3.297 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@@H](C)c1sc(CC)nc1C ZINC000268577291 378076625 /nfs/dbraw/zinc/07/66/25/378076625.db2.gz SDVQTELOMUXGFA-STQMWFEESA-N 1 1 282.453 3.334 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000343742020 378080306 /nfs/dbraw/zinc/08/03/06/378080306.db2.gz OAPXGOOMFVSNJM-MRXNPFEDSA-N 1 1 290.382 3.219 20 30 CGEDMO N#CCc1ccc(C[N@@H+]2CCOC[C@H]2c2ccccc2)cc1 ZINC000343575224 378025311 /nfs/dbraw/zinc/02/53/11/378025311.db2.gz LAHUIXNGGUBNJJ-IBGZPJMESA-N 1 1 292.382 3.326 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCOC[C@H]2c2ccccc2)cc1 ZINC000343575224 378025315 /nfs/dbraw/zinc/02/53/15/378025315.db2.gz LAHUIXNGGUBNJJ-IBGZPJMESA-N 1 1 292.382 3.326 20 30 CGEDMO C=CCCOCC[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000343859918 378115609 /nfs/dbraw/zinc/11/56/09/378115609.db2.gz LGXBQOFTTOLVAT-VIFPVBQESA-N 1 1 294.342 3.405 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000578714912 378093454 /nfs/dbraw/zinc/09/34/54/378093454.db2.gz YIJKSLAIPOMGQO-UHFFFAOYSA-N 1 1 288.435 3.311 20 30 CGEDMO CC[N@@H+](Cc1cnc(C)nc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000345211427 378223647 /nfs/dbraw/zinc/22/36/47/378223647.db2.gz TUSCCHUNASKWOK-ZDUSSCGKSA-N 1 1 280.375 3.240 20 30 CGEDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccc(C#N)cn1 ZINC000579909450 378207253 /nfs/dbraw/zinc/20/72/53/378207253.db2.gz KSCJQBFVHXHDCK-IVMMDQJWSA-N 1 1 255.365 3.106 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](CO)C2)cc1Cl ZINC000269344036 378209225 /nfs/dbraw/zinc/20/92/25/378209225.db2.gz HISJGSPEQDKOMA-CQSZACIVSA-N 1 1 295.810 3.109 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)C[C@H]1CC=CCC1 ZINC000344026185 378155897 /nfs/dbraw/zinc/15/58/97/378155897.db2.gz BKSJRAQZIUFFFV-HOTGVXAUSA-N 1 1 278.440 3.088 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCCC[C@H]1CCO ZINC000268979088 378164506 /nfs/dbraw/zinc/16/45/06/378164506.db2.gz OHLRHOWNCVNXTI-INIZCTEOSA-N 1 1 286.419 3.225 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(CCCCC#N)C1 ZINC000344591390 378174859 /nfs/dbraw/zinc/17/48/59/378174859.db2.gz KKERLPHOFIOPQP-XHSDSOJGSA-N 1 1 263.429 3.017 20 30 CGEDMO C[C@H](O)C[C@H]1CCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000269774954 378266028 /nfs/dbraw/zinc/26/60/28/378266028.db2.gz CWWOIYALHQPEND-GOEBONIOSA-N 1 1 286.419 3.223 20 30 CGEDMO Cc1ccc(C)c(OCCC[N@@H+](C)[C@H](C)CC#N)c1 ZINC000345923051 378409355 /nfs/dbraw/zinc/40/93/55/378409355.db2.gz KDNWLSFUHUZQLX-OAHLLOKOSA-N 1 1 260.381 3.306 20 30 CGEDMO Cc1ccc(C)c(OCCC[N@H+](C)[C@H](C)CC#N)c1 ZINC000345923051 378409360 /nfs/dbraw/zinc/40/93/60/378409360.db2.gz KDNWLSFUHUZQLX-OAHLLOKOSA-N 1 1 260.381 3.306 20 30 CGEDMO Cc1nc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)cs1 ZINC000618742758 378410512 /nfs/dbraw/zinc/41/05/12/378410512.db2.gz RICRNSCRSNIKRM-HNNXBMFYSA-N 1 1 269.373 3.100 20 30 CGEDMO CCc1nc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)cs1 ZINC000618742189 378410734 /nfs/dbraw/zinc/41/07/34/378410734.db2.gz KVCMKVKPMUMKOQ-OAHLLOKOSA-N 1 1 283.400 3.354 20 30 CGEDMO C=CCCCCCNC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000584419767 378383946 /nfs/dbraw/zinc/38/39/46/378383946.db2.gz PJWLMBPNWWLIKT-JKSUJKDBSA-N 1 1 295.471 3.105 20 30 CGEDMO CC[N@@H+](CCn1ccnc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000270678596 378387501 /nfs/dbraw/zinc/38/75/01/378387501.db2.gz UCKVJCSDJRTSBV-AWEZNQCLSA-N 1 1 282.391 3.146 20 30 CGEDMO C=CCCN(C)C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000346112043 378467295 /nfs/dbraw/zinc/46/72/95/378467295.db2.gz XKVPUTXYKRVECX-QGZVFWFLSA-N 1 1 286.419 3.076 20 30 CGEDMO C#CCCC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C)CC ZINC000270991247 378424085 /nfs/dbraw/zinc/42/40/85/378424085.db2.gz DWXZBZSVOPXTOD-AWEZNQCLSA-N 1 1 297.402 3.349 20 30 CGEDMO CC[C@@H](C)[N@@H+](C)CCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271937859 378524013 /nfs/dbraw/zinc/52/40/13/378524013.db2.gz KUHHWUGPONOMIP-CHWSQXEVSA-N 1 1 277.387 3.078 20 30 CGEDMO CC[C@@H](C)N(C)CC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000271937859 378524021 /nfs/dbraw/zinc/52/40/21/378524021.db2.gz KUHHWUGPONOMIP-CHWSQXEVSA-N 1 1 277.387 3.078 20 30 CGEDMO CCCC[N@@H+](C)CCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000346176684 378491730 /nfs/dbraw/zinc/49/17/30/378491730.db2.gz KRFHWIMWEXWLAA-ZDUSSCGKSA-N 1 1 277.387 3.080 20 30 CGEDMO CCCCN(C)CC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000346176684 378491734 /nfs/dbraw/zinc/49/17/34/378491734.db2.gz KRFHWIMWEXWLAA-ZDUSSCGKSA-N 1 1 277.387 3.080 20 30 CGEDMO C[C@H](C#N)C[N@H+](Cc1cc(-n2ccnc2)cs1)C1CC1 ZINC000346229531 378513795 /nfs/dbraw/zinc/51/37/95/378513795.db2.gz VJWIDTVYCHKBJD-GFCCVEGCSA-N 1 1 286.404 3.058 20 30 CGEDMO C[C@H](C#N)C[N@@H+](Cc1cc(-n2ccnc2)cs1)C1CC1 ZINC000346229531 378513806 /nfs/dbraw/zinc/51/38/06/378513806.db2.gz VJWIDTVYCHKBJD-GFCCVEGCSA-N 1 1 286.404 3.058 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1c(C)onc1CC ZINC000272217337 378587192 /nfs/dbraw/zinc/58/71/92/378587192.db2.gz BIQVOFADPCUSJP-UHFFFAOYSA-N 1 1 274.364 3.369 20 30 CGEDMO C=CCCC[N@@H+](C)CC(=O)c1cc(C)n(CC=C)c1C ZINC000346959381 378698711 /nfs/dbraw/zinc/69/87/11/378698711.db2.gz IORKYQZNRRQITG-UHFFFAOYSA-N 1 1 274.408 3.372 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)c1cc(C)n(CC=C)c1C ZINC000346959381 378698717 /nfs/dbraw/zinc/69/87/17/378698717.db2.gz IORKYQZNRRQITG-UHFFFAOYSA-N 1 1 274.408 3.372 20 30 CGEDMO N#CCCC[NH2+][C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000346804500 378689379 /nfs/dbraw/zinc/68/93/79/378689379.db2.gz XQJNNWYRVDXFAJ-INIZCTEOSA-N 1 1 287.313 3.343 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000347002144 378703886 /nfs/dbraw/zinc/70/38/86/378703886.db2.gz UVNSJAQGRMXAAL-SFHVURJKSA-N 1 1 262.356 3.270 20 30 CGEDMO C=CCOCCC[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC000348040561 378763571 /nfs/dbraw/zinc/76/35/71/378763571.db2.gz DQZGUWWACAJVPK-MRXNPFEDSA-N 1 1 277.433 3.369 20 30 CGEDMO C=CCOCCC[N@H+]1CCSC(CC)(CC)C1 ZINC000348046235 378764428 /nfs/dbraw/zinc/76/44/28/378764428.db2.gz INWPDGXEHQBVHA-UHFFFAOYSA-N 1 1 257.443 3.187 20 30 CGEDMO C=CCOCCC[N@H+](C)Cc1nc2c(s1)CCCC2 ZINC000348051913 378768596 /nfs/dbraw/zinc/76/85/96/378768596.db2.gz SKSHNZXENFOJHT-UHFFFAOYSA-N 1 1 280.437 3.046 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000348026914 378758472 /nfs/dbraw/zinc/75/84/72/378758472.db2.gz AZKSCSLQJDMAFA-MRXNPFEDSA-N 1 1 259.393 3.377 20 30 CGEDMO C=C1CC[NH+](Cc2nn(CC)c3ccccc23)CC1 ZINC000274548452 378848850 /nfs/dbraw/zinc/84/88/50/378848850.db2.gz ICHHBXZFOQMLFZ-UHFFFAOYSA-N 1 1 255.365 3.208 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000274765679 378890775 /nfs/dbraw/zinc/89/07/75/378890775.db2.gz GBZWDANPQBEAFT-UGSOOPFHSA-N 1 1 265.422 3.383 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000346972198 218074540 /nfs/dbraw/zinc/07/45/40/218074540.db2.gz HFEBDEXBRISUBJ-KRWDZBQOSA-N 1 1 293.370 3.299 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000346972198 218074541 /nfs/dbraw/zinc/07/45/41/218074541.db2.gz HFEBDEXBRISUBJ-KRWDZBQOSA-N 1 1 293.370 3.299 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000347088708 218117161 /nfs/dbraw/zinc/11/71/61/218117161.db2.gz ODYWADLISQAGBM-RDTXWAMCSA-N 1 1 293.370 3.168 20 30 CGEDMO CC[C@H](CO)[N@@H+](Cc1ccccc1)Cc1cccc(C#N)c1 ZINC000347350941 218202135 /nfs/dbraw/zinc/20/21/35/218202135.db2.gz QTSOUKAWUQOFQF-LJQANCHMSA-N 1 1 294.398 3.331 20 30 CGEDMO CC(=O)c1ccc(C#N)c(NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000347451267 218239125 /nfs/dbraw/zinc/23/91/25/218239125.db2.gz QCXCJGUNSDFYNU-OKILXGFUSA-N 1 1 299.418 3.436 20 30 CGEDMO CSCC[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000371785441 379177320 /nfs/dbraw/zinc/17/73/20/379177320.db2.gz NJRUUPPSIRAJBR-LSDHHAIUSA-N 1 1 260.406 3.121 20 30 CGEDMO C=CC[C@H](C)[C@@H](C)[NH2+]C1CC(N2CCCCC2)C1 ZINC000373494264 379290983 /nfs/dbraw/zinc/29/09/83/379290983.db2.gz JZCXDYUEJUTMOD-QRNKSROTSA-N 1 1 250.430 3.194 20 30 CGEDMO CC[N@@H+](Cc1ccc(C(=O)N(C)[C@@H](C)CC#N)cc1)C1CC1 ZINC000349434935 379282547 /nfs/dbraw/zinc/28/25/47/379282547.db2.gz VHOMXGLJSNJOFJ-AWEZNQCLSA-N 1 1 299.418 3.045 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1coc(-c2ccc(OC)cc2)n1 ZINC000279380762 379422006 /nfs/dbraw/zinc/42/20/06/379422006.db2.gz XURBSSBMHXSEDU-UHFFFAOYSA-N 1 1 284.359 3.194 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1coc(-c2ccc(OC)cc2)n1 ZINC000279380762 379422011 /nfs/dbraw/zinc/42/20/11/379422011.db2.gz XURBSSBMHXSEDU-UHFFFAOYSA-N 1 1 284.359 3.194 20 30 CGEDMO N#CCC1(C[N@@H+]2CCC[C@H]2CC(=O)c2cccs2)CC1 ZINC000639538284 379463186 /nfs/dbraw/zinc/46/31/86/379463186.db2.gz KRONVQWPZYPFJA-ZDUSSCGKSA-N 1 1 288.416 3.479 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)[C@H](C)c2ccccc2)n1 ZINC000279688825 379491145 /nfs/dbraw/zinc/49/11/45/379491145.db2.gz HKMAXYOPIRUBCR-OAHLLOKOSA-N 1 1 267.376 3.099 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)[C@H](C)c2ccccc2)n1 ZINC000279688825 379491149 /nfs/dbraw/zinc/49/11/49/379491149.db2.gz HKMAXYOPIRUBCR-OAHLLOKOSA-N 1 1 267.376 3.099 20 30 CGEDMO CC(C)C[N@H+](CCC#N)[C@@H]1CCCc2cccnc21 ZINC000375405172 379496759 /nfs/dbraw/zinc/49/67/59/379496759.db2.gz RNPSRWMZYGSNNO-OAHLLOKOSA-N 1 1 257.381 3.331 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)[C@@H]1CCCc2cccnc21 ZINC000375405172 379496764 /nfs/dbraw/zinc/49/67/64/379496764.db2.gz RNPSRWMZYGSNNO-OAHLLOKOSA-N 1 1 257.381 3.331 20 30 CGEDMO C=CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000350263647 379533604 /nfs/dbraw/zinc/53/36/04/379533604.db2.gz JEERRLAFJREAKU-ALCCZGGFSA-N 1 1 258.321 3.258 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000279763545 379509355 /nfs/dbraw/zinc/50/93/55/379509355.db2.gz MKVOWHYMFUINGH-BBRMVZONSA-N 1 1 272.392 3.366 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@H](C)c1nnc(-c2cccs2)o1 ZINC000351059947 379630758 /nfs/dbraw/zinc/63/07/58/379630758.db2.gz CEFPLFPEBHTUAO-SNVBAGLBSA-N 1 1 263.366 3.367 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)c1nnc(-c2cccs2)o1 ZINC000351059947 379630769 /nfs/dbraw/zinc/63/07/69/379630769.db2.gz CEFPLFPEBHTUAO-SNVBAGLBSA-N 1 1 263.366 3.367 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000351095479 379642310 /nfs/dbraw/zinc/64/23/10/379642310.db2.gz FFWBLAYZXNGVKW-AWEZNQCLSA-N 1 1 296.773 3.092 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000351103813 379645578 /nfs/dbraw/zinc/64/55/78/379645578.db2.gz RNMPYIJMWZMCHR-OAHLLOKOSA-N 1 1 274.408 3.447 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@](C)(OC)CC2)cc1 ZINC000280267178 379661095 /nfs/dbraw/zinc/66/10/95/379661095.db2.gz MGRJYJRUNJZMEO-SFHVURJKSA-N 1 1 287.403 3.090 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](C)Cc1c(F)cccc1Cl ZINC000351616245 379732217 /nfs/dbraw/zinc/73/22/17/379732217.db2.gz RMIJPUUXFYVLTF-NSHDSACASA-N 1 1 271.763 3.238 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)Cc1c(F)cccc1Cl ZINC000351616245 379732226 /nfs/dbraw/zinc/73/22/26/379732226.db2.gz RMIJPUUXFYVLTF-NSHDSACASA-N 1 1 271.763 3.238 20 30 CGEDMO C=C(C)CC[N@H+]1CCc2ccc(C(C)=O)cc2CC1 ZINC000351722626 379742521 /nfs/dbraw/zinc/74/25/21/379742521.db2.gz WIWXRZSCRBRRNQ-UHFFFAOYSA-N 1 1 257.377 3.256 20 30 CGEDMO C=C(C)CC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1 ZINC000351866761 379748837 /nfs/dbraw/zinc/74/88/37/379748837.db2.gz XQESQMFSOGROMN-GOSISDBHSA-N 1 1 298.430 3.002 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1 ZINC000352448276 379818932 /nfs/dbraw/zinc/81/89/32/379818932.db2.gz QVBZBLYCJFOTCI-QZTJIDSGSA-N 1 1 296.414 3.286 20 30 CGEDMO C[N@@H+](CCCOCc1ccccc1)CC1(CC#N)CC1 ZINC000384287052 379874761 /nfs/dbraw/zinc/87/47/61/379874761.db2.gz SPIWZWAOFXIXEQ-UHFFFAOYSA-N 1 1 272.392 3.219 20 30 CGEDMO COc1cc(C[N@@H+](C)[C@H](C)C2(C)CC2)ccc1C#N ZINC000282282695 379890102 /nfs/dbraw/zinc/89/01/02/379890102.db2.gz LCSJUFFEUAUJOM-GFCCVEGCSA-N 1 1 258.365 3.187 20 30 CGEDMO CC[C@@H]1C[N@H+](CCCC(C)(C)C#N)C[C@H](CC)O1 ZINC000398521942 379931317 /nfs/dbraw/zinc/93/13/17/379931317.db2.gz MVPZGLHTTBZDGR-OKILXGFUSA-N 1 1 252.402 3.206 20 30 CGEDMO CC[C@H]1C[C@@H](C)C[N@H+]1CCOc1cccc(C#N)c1 ZINC000399712176 379943229 /nfs/dbraw/zinc/94/32/29/379943229.db2.gz AXUYRNUNWBMVQJ-HIFRSBDPSA-N 1 1 258.365 3.057 20 30 CGEDMO C=CCCOC(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC000740243694 572437831 /nfs/dbraw/zinc/43/78/31/572437831.db2.gz AOZDNAWEUPFXJO-HNNXBMFYSA-N 1 1 261.365 3.189 20 30 CGEDMO Cc1cc(C[N@@H+]2CCCCC[C@H]2C[C@H](C)O)ccc1C#N ZINC000352891967 380021628 /nfs/dbraw/zinc/02/16/28/380021628.db2.gz GRRQJYFPNPZUGW-YJBOKZPZSA-N 1 1 286.419 3.382 20 30 CGEDMO C=C(C)C[N@H+](CCc1cccnc1)Cc1cnn(C(C)C)c1 ZINC000352899410 380025752 /nfs/dbraw/zinc/02/57/52/380025752.db2.gz CVRGGHCFKFLBRB-UHFFFAOYSA-N 1 1 298.434 3.480 20 30 CGEDMO C=CCN1CC[C@@H]([N@@H+]2CCCCC[C@@H]2CC(C)C)C1=O ZINC000410385004 380090042 /nfs/dbraw/zinc/09/00/42/380090042.db2.gz UZAUXRIOPOXHCP-HZPDHXFCSA-N 1 1 278.440 3.064 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)CCO1 ZINC000411487195 380149146 /nfs/dbraw/zinc/14/91/46/380149146.db2.gz MQOBDUOUJCPIQE-HNNXBMFYSA-N 1 1 264.413 3.207 20 30 CGEDMO C[C@H]1CCC[C@H](CO)[N@H+]1CCC1(C#N)CCCCC1 ZINC000411397153 380140924 /nfs/dbraw/zinc/14/09/24/380140924.db2.gz HDGYADUBQCHSHC-LSDHHAIUSA-N 1 1 264.413 3.086 20 30 CGEDMO C[N@@H+](CCC1(C#N)CCCCC1)C[C@H]1CCCC[C@@H]1O ZINC000411483990 380148724 /nfs/dbraw/zinc/14/87/24/380148724.db2.gz GJSULPWLFGCSHC-CVEARBPZSA-N 1 1 278.440 3.333 20 30 CGEDMO C=CC[N@H+](CCCC(=O)NCCC)Cc1cccs1 ZINC000411138224 380129903 /nfs/dbraw/zinc/12/99/03/380129903.db2.gz PSEXCHWMZVFCOK-UHFFFAOYSA-N 1 1 280.437 3.043 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)NC(CC)CC ZINC000411133300 380130200 /nfs/dbraw/zinc/13/02/00/380130200.db2.gz HKODWLYOHAIFBQ-ZDUSSCGKSA-N 1 1 294.464 3.429 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)NC(CC)CC ZINC000411133300 380130204 /nfs/dbraw/zinc/13/02/04/380130204.db2.gz HKODWLYOHAIFBQ-ZDUSSCGKSA-N 1 1 294.464 3.429 20 30 CGEDMO N#CC1(CC[N@H+]2CCO[C@H]3CCC[C@H]32)CCCCC1 ZINC000411189593 380134737 /nfs/dbraw/zinc/13/47/37/380134737.db2.gz MUBLKGYBJJIUMB-CABCVRRESA-N 1 1 262.397 3.104 20 30 CGEDMO C[C@@H]1CCC[C@@H](C)[NH+]1CCN[C@H]1CCc2ccc(C#N)cc21 ZINC000353411060 380206120 /nfs/dbraw/zinc/20/61/20/380206120.db2.gz JIPVIMVTJUHTSD-CLCXKQKWSA-N 1 1 297.446 3.398 20 30 CGEDMO C=CCOc1ccc(C[NH2+][C@H](CC)c2ccn(C)n2)cc1 ZINC000353843643 380224559 /nfs/dbraw/zinc/22/45/59/380224559.db2.gz JDTVMKOLPZMUJL-MRXNPFEDSA-N 1 1 285.391 3.226 20 30 CGEDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CC1(C)C ZINC000354003058 380274898 /nfs/dbraw/zinc/27/48/98/380274898.db2.gz QRWINYXMEJTGRS-AWEZNQCLSA-N 1 1 299.418 3.255 20 30 CGEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(C#N)ccc2F)C1(C)C ZINC000354455041 380446170 /nfs/dbraw/zinc/44/61/70/380446170.db2.gz OBFFISZELRIADU-HZPDHXFCSA-N 1 1 290.382 3.333 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000354786524 380555536 /nfs/dbraw/zinc/55/55/36/380555536.db2.gz KKWROHMSYIAZBD-OAHLLOKOSA-N 1 1 269.392 3.467 20 30 CGEDMO C=CC[NH+](CC=C)[C@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC000355457106 380674189 /nfs/dbraw/zinc/67/41/89/380674189.db2.gz NRGHMTCEVLJPEQ-CQSZACIVSA-N 1 1 288.391 3.086 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@H](CC)OC ZINC000419206069 380777310 /nfs/dbraw/zinc/77/73/10/380777310.db2.gz KAHHXQMUZPRXEN-AWEZNQCLSA-N 1 1 251.345 3.239 20 30 CGEDMO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1CC1(C#N)CCC1 ZINC000420936318 380864224 /nfs/dbraw/zinc/86/42/24/380864224.db2.gz ZHFUIPULLAMEEP-KBPBESRZSA-N 1 1 292.423 3.122 20 30 CGEDMO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1CC1(C#N)CCC1 ZINC000420936318 380864226 /nfs/dbraw/zinc/86/42/26/380864226.db2.gz ZHFUIPULLAMEEP-KBPBESRZSA-N 1 1 292.423 3.122 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@H](C)C1CCC1 ZINC000357044724 381009611 /nfs/dbraw/zinc/00/96/11/381009611.db2.gz SLCJKJQLRFFUPI-GFCCVEGCSA-N 1 1 258.365 3.187 20 30 CGEDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C#N)s1 ZINC000334782050 207065569 /nfs/dbraw/zinc/06/55/69/207065569.db2.gz UKEPXTBZWOVLRH-LDYMZIIASA-N 1 1 274.311 3.392 20 30 CGEDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)s1 ZINC000334782050 207065572 /nfs/dbraw/zinc/06/55/72/207065572.db2.gz UKEPXTBZWOVLRH-LDYMZIIASA-N 1 1 274.311 3.392 20 30 CGEDMO C=CC[N@@H+](Cc1cnn(-c2ccccc2)c1)C1CC1 ZINC000357525780 381193944 /nfs/dbraw/zinc/19/39/44/381193944.db2.gz FXNAHHPQCCZZTO-UHFFFAOYSA-N 1 1 253.349 3.023 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)CCC1 ZINC000358207449 381295974 /nfs/dbraw/zinc/29/59/74/381295974.db2.gz ZCLLHPOYPWSEDV-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)CCC1 ZINC000358497084 381311639 /nfs/dbraw/zinc/31/16/39/381311639.db2.gz NTKUKAZXZRNLII-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@H+](CC(=C)CC)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000358486054 381312281 /nfs/dbraw/zinc/31/22/81/381312281.db2.gz CHKFDBUIDSRGDS-HNNXBMFYSA-N 1 1 297.406 3.178 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2)cc1 ZINC000334839064 207165860 /nfs/dbraw/zinc/16/58/60/207165860.db2.gz FRHFJMXFTOKCCM-QGZVFWFLSA-N 1 1 263.344 3.290 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)C[C@H](O)CCC(C)C ZINC000361317266 381692472 /nfs/dbraw/zinc/69/24/72/381692472.db2.gz YOEBLJOYGUJELS-OAHLLOKOSA-N 1 1 265.397 3.107 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](CCOc2ccccc2C#N)CCS1 ZINC000362384566 381965946 /nfs/dbraw/zinc/96/59/46/381965946.db2.gz HPHGKRWGSZMNEG-MRXNPFEDSA-N 1 1 290.432 3.010 20 30 CGEDMO C=C(C[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000367620565 382352866 /nfs/dbraw/zinc/35/28/66/382352866.db2.gz YHGDTLPIFYJDQW-KZNAEPCWSA-N 1 1 270.420 3.162 20 30 CGEDMO C=C(CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000367620565 382352869 /nfs/dbraw/zinc/35/28/69/382352869.db2.gz YHGDTLPIFYJDQW-KZNAEPCWSA-N 1 1 270.420 3.162 20 30 CGEDMO C=C(CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000367620565 382352874 /nfs/dbraw/zinc/35/28/74/382352874.db2.gz YHGDTLPIFYJDQW-KZNAEPCWSA-N 1 1 270.420 3.162 20 30 CGEDMO COCC[C@H]1CCCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000368654626 382379559 /nfs/dbraw/zinc/37/95/59/382379559.db2.gz ATMFBFGGUJSLCF-CQSZACIVSA-N 1 1 290.382 3.336 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)ccc1F ZINC000335379120 208321283 /nfs/dbraw/zinc/32/12/83/208321283.db2.gz JNLKLNGNNGDTEN-RHSMWYFYSA-N 1 1 288.366 3.088 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](CCCOCc1ccccc1)C1CC1 ZINC000347502400 533149612 /nfs/dbraw/zinc/14/96/12/533149612.db2.gz YVVXEFIZYFCYMJ-HNNXBMFYSA-N 1 1 272.392 3.217 20 30 CGEDMO C=CCC[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309917170 542427101 /nfs/dbraw/zinc/42/71/01/542427101.db2.gz OXBNTAWMLQQAHP-NVXWUHKLSA-N 1 1 258.409 3.063 20 30 CGEDMO COC[C@@H]1CCC[N@H+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000452101719 285272946 /nfs/dbraw/zinc/27/29/46/285272946.db2.gz KBTMBNJPKSBMMW-LSDHHAIUSA-N 1 1 272.392 3.368 20 30 CGEDMO Cn1cc(C[N@H+]2CCCCC[C@@H]2c2ccncc2)cc1C#N ZINC000191157440 130192564 /nfs/dbraw/zinc/19/25/64/130192564.db2.gz SZIFAAMEAUPXCC-GOSISDBHSA-N 1 1 294.402 3.409 20 30 CGEDMO C[C@H](c1ccccc1)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191184902 130198356 /nfs/dbraw/zinc/19/83/56/130198356.db2.gz KYWNYZHCZREDAF-CYBMUJFWSA-N 1 1 253.349 3.090 20 30 CGEDMO CC[N@@H+](Cc1cc(C#N)n(C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000191240433 130208208 /nfs/dbraw/zinc/20/82/08/130208208.db2.gz ACXXCBLDSNPYIC-CQSZACIVSA-N 1 1 292.386 3.352 20 30 CGEDMO CCCO[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000192015615 130351720 /nfs/dbraw/zinc/35/17/20/130351720.db2.gz MQLPIDZXPAGGSY-GOSISDBHSA-N 1 1 271.404 3.319 20 30 CGEDMO C[C@@H](NCC#Cc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000192178617 130389095 /nfs/dbraw/zinc/38/90/95/130389095.db2.gz XOHCWJIHICVNNA-IEBWSBKVSA-N 1 1 296.458 3.281 20 30 CGEDMO N#Cc1ccc(Cl)cc1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000062785321 392133208 /nfs/dbraw/zinc/13/32/08/392133208.db2.gz XLHVVZQDRMMTEB-NSHDSACASA-N 1 1 275.783 3.108 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2ccc(OC)nn2)CCCC1(C)C ZINC000282543409 392292404 /nfs/dbraw/zinc/29/24/04/392292404.db2.gz RPDBVYNQXPJULE-CQSZACIVSA-N 1 1 275.396 3.052 20 30 CGEDMO N#Cc1ccc(C[N@@H+](CCCO)Cc2ccccc2)cc1F ZINC000361835508 392339134 /nfs/dbraw/zinc/33/91/34/392339134.db2.gz AJZYYKXAXAMEKI-UHFFFAOYSA-N 1 1 298.361 3.082 20 30 CGEDMO C#CC[N@H+](CCc1scnc1C)Cc1ccccc1 ZINC000285864956 392341859 /nfs/dbraw/zinc/34/18/59/392341859.db2.gz XUZYCAYIXJTZGA-UHFFFAOYSA-N 1 1 270.401 3.129 20 30 CGEDMO C=CCCCCC[N@H+](CCOC)Cc1ccccn1 ZINC000287311123 392395966 /nfs/dbraw/zinc/39/59/66/392395966.db2.gz JLUNDQBYVWZBPY-UHFFFAOYSA-N 1 1 262.397 3.276 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)s1)C[C@@H]1CCCCO1 ZINC000119567626 392396648 /nfs/dbraw/zinc/39/66/48/392396648.db2.gz QQSAWKJRIGDFRH-ZDUSSCGKSA-N 1 1 278.421 3.401 20 30 CGEDMO N#CCc1ccc(C[N@@H+](CCO)CC2CCCCC2)cc1 ZINC000362582221 392418731 /nfs/dbraw/zinc/41/87/31/392418731.db2.gz WGRFKMIRHDYUQT-UHFFFAOYSA-N 1 1 286.419 3.127 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCC[C@@H](c3ccncc3)C2)cc1 ZINC000289293743 392419101 /nfs/dbraw/zinc/41/91/01/392419101.db2.gz HLUVOWOMPAYMNX-GOSISDBHSA-N 1 1 294.373 3.452 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccc(COCCOC)cc1 ZINC000289514638 392422262 /nfs/dbraw/zinc/42/22/62/392422262.db2.gz FQNQAQYPKGGURM-UHFFFAOYSA-N 1 1 277.408 3.248 20 30 CGEDMO C#Cc1ccc(C[N@@H+](Cc2cccnc2)C2CC2)cc1 ZINC000290548785 392450300 /nfs/dbraw/zinc/45/03/00/392450300.db2.gz RQRYNMGHNLGIFK-UHFFFAOYSA-N 1 1 262.356 3.228 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](CC)C(=O)Nc1ccc(OC)cc1 ZINC000121081251 392407303 /nfs/dbraw/zinc/40/73/03/392407303.db2.gz AELVJGNFMQSFSE-INIZCTEOSA-N 1 1 290.407 3.310 20 30 CGEDMO C=CC[NH+]1CCC(Nc2ccnc3cc(F)ccc32)CC1 ZINC000301401989 392590391 /nfs/dbraw/zinc/59/03/91/392590391.db2.gz QVQRUQIAYOHHHM-UHFFFAOYSA-N 1 1 285.366 3.436 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000372359715 392603706 /nfs/dbraw/zinc/60/37/06/392603706.db2.gz VQKPWVSAQOVYTD-OAHLLOKOSA-N 1 1 264.413 3.207 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000156493877 392547927 /nfs/dbraw/zinc/54/79/27/392547927.db2.gz HQGCWUKDWPULHO-KRWDZBQOSA-N 1 1 272.392 3.270 20 30 CGEDMO Clc1cccc(C#CC[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000374412309 392678208 /nfs/dbraw/zinc/67/82/08/392678208.db2.gz RIKRKLZEYIKWBD-HZPDHXFCSA-N 1 1 289.806 3.050 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cn2c(n1)CCCC2 ZINC000373002170 392655573 /nfs/dbraw/zinc/65/55/73/392655573.db2.gz ZPMJMTWCYWEIEB-CQSZACIVSA-N 1 1 294.402 3.284 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cn2c(n1)CCCC2 ZINC000373002170 392655584 /nfs/dbraw/zinc/65/55/84/392655584.db2.gz ZPMJMTWCYWEIEB-CQSZACIVSA-N 1 1 294.402 3.284 20 30 CGEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1cccc(C(C)C)c1 ZINC000181274244 392726273 /nfs/dbraw/zinc/72/62/73/392726273.db2.gz WLLGMCYMPCHHBL-UHFFFAOYSA-N 1 1 260.381 3.256 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)Nc1cccc(C(C)C)c1 ZINC000181274244 392726281 /nfs/dbraw/zinc/72/62/81/392726281.db2.gz WLLGMCYMPCHHBL-UHFFFAOYSA-N 1 1 260.381 3.256 20 30 CGEDMO C#CCOc1ccc(C[N@H+](C)[C@H](C)c2ccccn2)cc1 ZINC000182065457 392741070 /nfs/dbraw/zinc/74/10/70/392741070.db2.gz JVWGKLYZZQJYLP-OAHLLOKOSA-N 1 1 280.371 3.287 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000334656735 392743491 /nfs/dbraw/zinc/74/34/91/392743491.db2.gz YFOBCGCUTYGRFU-PBHICJAKSA-N 1 1 280.375 3.153 20 30 CGEDMO C[C@H](C#N)C[N@H+](CCCOc1ccccc1)C1CC1 ZINC000338343748 392910538 /nfs/dbraw/zinc/91/05/38/392910538.db2.gz CCBPEDAFFDYRPC-CQSZACIVSA-N 1 1 258.365 3.080 20 30 CGEDMO C[C@H](C#N)C[N@@H+](CCCOc1ccccc1)C1CC1 ZINC000338343748 392910542 /nfs/dbraw/zinc/91/05/42/392910542.db2.gz CCBPEDAFFDYRPC-CQSZACIVSA-N 1 1 258.365 3.080 20 30 CGEDMO C=CCC[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000338571978 392920918 /nfs/dbraw/zinc/92/09/18/392920918.db2.gz ZLUUTYZAFJBNTN-UHFFFAOYSA-N 1 1 274.191 3.364 20 30 CGEDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000459407663 392944124 /nfs/dbraw/zinc/94/41/24/392944124.db2.gz LGKXNUIDPJOPKU-CYBMUJFWSA-N 1 1 287.363 3.334 20 30 CGEDMO C=CCOCC[N@@H+]1CCc2c(F)cc(F)cc2[C@@H]1C ZINC000339016671 392941297 /nfs/dbraw/zinc/94/12/97/392941297.db2.gz CUHHBBXWAPJSAZ-NSHDSACASA-N 1 1 267.319 3.087 20 30 CGEDMO C=CCOCC[N@H+]1CCc2c(F)cc(F)cc2[C@@H]1C ZINC000339016671 392941304 /nfs/dbraw/zinc/94/13/04/392941304.db2.gz CUHHBBXWAPJSAZ-NSHDSACASA-N 1 1 267.319 3.087 20 30 CGEDMO C=CCOCC[N@@H+]1C[C@H](C)C[C@@H]1c1cccc(OC)c1 ZINC000339084895 392947074 /nfs/dbraw/zinc/94/70/74/392947074.db2.gz RQKRGPRCGGJMHW-RHSMWYFYSA-N 1 1 275.392 3.281 20 30 CGEDMO Cc1cc(C#N)ccc1C[NH2+][C@@H](C)c1ncccc1F ZINC000528827495 392971723 /nfs/dbraw/zinc/97/17/23/392971723.db2.gz VIHLGCKDJRVGMO-LBPRGKRZSA-N 1 1 269.323 3.252 20 30 CGEDMO CC[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)CCCO1 ZINC000411677416 392984798 /nfs/dbraw/zinc/98/47/98/392984798.db2.gz RUVPRPPUGYIUOI-HNNXBMFYSA-N 1 1 264.413 3.351 20 30 CGEDMO CC(C)OC1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000530687641 392986798 /nfs/dbraw/zinc/98/67/98/392986798.db2.gz BUGUEWMWGUXYKK-UHFFFAOYSA-N 1 1 276.355 3.087 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000411743114 392986980 /nfs/dbraw/zinc/98/69/80/392986980.db2.gz FPHXRJZSPWNIDA-YOEHRIQHSA-N 1 1 270.376 3.148 20 30 CGEDMO CC(C)CCN(CCC#N)C(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000412166469 392996703 /nfs/dbraw/zinc/99/67/03/392996703.db2.gz FVCRBEMGNDCXAW-OWCLPIDISA-N 1 1 293.455 3.036 20 30 CGEDMO CC[C@H]1C[N@H+](Cc2cccc(C#N)c2F)CCS1 ZINC000219524094 393002465 /nfs/dbraw/zinc/00/24/65/393002465.db2.gz LYFRHOZWXMZWIZ-ZDUSSCGKSA-N 1 1 264.369 3.025 20 30 CGEDMO CC[C@H]1C[N@@H+](Cc2cccc(C#N)c2F)CCS1 ZINC000219524094 393002470 /nfs/dbraw/zinc/00/24/70/393002470.db2.gz LYFRHOZWXMZWIZ-ZDUSSCGKSA-N 1 1 264.369 3.025 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000342820111 393008571 /nfs/dbraw/zinc/00/85/71/393008571.db2.gz FYCAMBXVSKSCGB-WMZOPIPTSA-N 1 1 287.403 3.395 20 30 CGEDMO C=CC[NH+](CC=C)[C@H](C)C(=O)N(CC)Cc1ccccc1 ZINC000342857907 393010558 /nfs/dbraw/zinc/01/05/58/393010558.db2.gz NTDSAWNTQQPJNW-MRXNPFEDSA-N 1 1 286.419 3.098 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@H]2C(C)C)cc1OC ZINC000342861090 393010639 /nfs/dbraw/zinc/01/06/39/393010639.db2.gz LJAQNZOJNBINTL-HNNXBMFYSA-N 1 1 275.392 3.490 20 30 CGEDMO N#CC1(C[NH+]2CCC(Nc3ccc(F)cc3)CC2)CC1 ZINC000343313616 393024331 /nfs/dbraw/zinc/02/43/31/393024331.db2.gz UIPSQWPCGKLDOV-UHFFFAOYSA-N 1 1 273.355 3.006 20 30 CGEDMO N#CC1(F)CC[NH+](C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000348712187 393128527 /nfs/dbraw/zinc/12/85/27/393128527.db2.gz UEPUIMGLRFGGQD-OWOJBTEDSA-N 1 1 280.293 3.306 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)CC1(O)CCCC1 ZINC000348965687 393136221 /nfs/dbraw/zinc/13/62/21/393136221.db2.gz NPSFNILFUIFMHY-UHFFFAOYSA-N 1 1 251.395 3.041 20 30 CGEDMO CCC[N@H+]1CCC[C@H]1CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000353971653 393236527 /nfs/dbraw/zinc/23/65/27/393236527.db2.gz LJAADNIIYIZJCU-CJNGLKHVSA-N 1 1 289.398 3.222 20 30 CGEDMO CCCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000353971653 393236538 /nfs/dbraw/zinc/23/65/38/393236538.db2.gz LJAADNIIYIZJCU-CJNGLKHVSA-N 1 1 289.398 3.222 20 30 CGEDMO CC(C)[N@H+](Cc1ccco1)C[C@H](O)c1ccc(C#N)cc1 ZINC000268730713 393202816 /nfs/dbraw/zinc/20/28/16/393202816.db2.gz XKBHYUQDTXHXCV-KRWDZBQOSA-N 1 1 284.359 3.095 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[NH+]1CCC(CCCO)CC1 ZINC000274783465 393289546 /nfs/dbraw/zinc/28/95/46/393289546.db2.gz ABYZCBUWCMULHE-UHFFFAOYSA-N 1 1 292.810 3.196 20 30 CGEDMO CC[C@@H](C)[C@H](C)[N@@H+](Cc1nc(C#N)cs1)C1CC1 ZINC000356219710 393386265 /nfs/dbraw/zinc/38/62/65/393386265.db2.gz ODVGLDDTPDQATO-MNOVXSKESA-N 1 1 263.410 3.414 20 30 CGEDMO C=CCCCC[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000649352475 393403654 /nfs/dbraw/zinc/40/36/54/393403654.db2.gz INBDJLQCOFOCQB-CYBMUJFWSA-N 1 1 251.395 3.478 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+](C)Cc1ccc2cc(OC)ccc2c1 ZINC000649231594 393379679 /nfs/dbraw/zinc/37/96/79/393379679.db2.gz ONEOBIDQNXFBEU-GOSISDBHSA-N 1 1 285.387 3.217 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@H]2CC[C@@H](C)C2)cc1C#N ZINC000429567233 393482587 /nfs/dbraw/zinc/48/25/87/393482587.db2.gz LKBBXWZJZRYMAR-DOMZBBRYSA-N 1 1 258.365 3.187 20 30 CGEDMO C=CC[N@H+](Cc1cc2n(n1)CCC2)CC1CCCCC1 ZINC000649529616 393468634 /nfs/dbraw/zinc/46/86/34/393468634.db2.gz VNQKTALAVZARHN-UHFFFAOYSA-N 1 1 273.424 3.398 20 30 CGEDMO C[C@H]1CC[C@H]([N@@H+](C)CCC(=O)Nc2sccc2C#N)C1 ZINC000429568110 393484964 /nfs/dbraw/zinc/48/49/64/393484964.db2.gz NUJHFPSUCYQPCM-AAEUAGOBSA-N 1 1 291.420 3.069 20 30 CGEDMO Cc1cc(C[N@@H+]2CCS[C@H](C)[C@H]2C)ccc1C#N ZINC000488413374 393502982 /nfs/dbraw/zinc/50/29/82/393502982.db2.gz ZIYWSIODTQKDRO-CHWSQXEVSA-N 1 1 260.406 3.193 20 30 CGEDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000443340735 393752690 /nfs/dbraw/zinc/75/26/90/393752690.db2.gz BGXYAHBMNULEJE-XHBSWPGZSA-N 1 1 292.810 3.193 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCc2c(nnn2-c2ccccc2)C1 ZINC000433210932 393700746 /nfs/dbraw/zinc/70/07/46/393700746.db2.gz YABCTFITRYYPTE-OAHLLOKOSA-N 1 1 296.418 3.370 20 30 CGEDMO CCc1nc(C[NH2+]Cc2ccc(C#N)c(C)c2)cs1 ZINC000443973312 393779451 /nfs/dbraw/zinc/77/94/51/393779451.db2.gz OYVLBSJWAGYDNK-UHFFFAOYSA-N 1 1 271.389 3.175 20 30 CGEDMO N#Cc1ccc(C[N@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)c(F)c1 ZINC000449535408 393887535 /nfs/dbraw/zinc/88/75/35/393887535.db2.gz HQPUMIFZNLGLHI-WBVHZDCISA-N 1 1 270.351 3.318 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1ccnn1CC1CC1 ZINC000667650262 542904844 /nfs/dbraw/zinc/90/48/44/542904844.db2.gz QYUIEUQCLHBTGN-UHFFFAOYSA-N 1 1 261.413 3.471 20 30 CGEDMO C=CCC[N@H+](CCCO)Cc1cccc(Cl)c1 ZINC000338565063 397683820 /nfs/dbraw/zinc/68/38/20/397683820.db2.gz LAHVJFIIWMASNK-UHFFFAOYSA-N 1 1 253.773 3.101 20 30 CGEDMO Cc1ccsc1C[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000349577488 397684861 /nfs/dbraw/zinc/68/48/61/397684861.db2.gz MCSRSBKLHUVGJS-UHFFFAOYSA-N 1 1 296.399 3.208 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)Cc2ccc(OC)nc2)cc1 ZINC000674750358 543295906 /nfs/dbraw/zinc/29/59/06/543295906.db2.gz CFENVZRPYRJBEC-UHFFFAOYSA-N 1 1 298.386 3.287 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2ccn(C3CCCC3)n2)cc1 ZINC000069992808 165052925 /nfs/dbraw/zinc/05/29/25/165052925.db2.gz ABCQLIUXUAWPIQ-UHFFFAOYSA-N 1 1 280.375 3.160 20 30 CGEDMO COc1ccc(C[N@@H+]2CCc3ccccc3C2)cc1C#N ZINC000087833100 165190218 /nfs/dbraw/zinc/19/02/18/165190218.db2.gz MHKZARXVAULXNK-UHFFFAOYSA-N 1 1 278.355 3.125 20 30 CGEDMO COc1ccc(C[N@H+]2CCc3ccccc3C2)cc1C#N ZINC000087833100 165190220 /nfs/dbraw/zinc/19/02/20/165190220.db2.gz MHKZARXVAULXNK-UHFFFAOYSA-N 1 1 278.355 3.125 20 30 CGEDMO CC1(C)CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000087657822 165190427 /nfs/dbraw/zinc/19/04/27/165190427.db2.gz HZQDCPGHXWPDEY-UHFFFAOYSA-N 1 1 285.391 3.009 20 30 CGEDMO C[C@@H]1C[C@@H](Nc2ccc(C#N)c(Cl)c2)CC[N@H+]1C ZINC000090795122 165243544 /nfs/dbraw/zinc/24/35/44/165243544.db2.gz QUKCIGFUAVGANC-MFKMUULPSA-N 1 1 263.772 3.106 20 30 CGEDMO CC[C@H](C)C[N@@H+](CC)Cc1cnc2ccc(C#N)cn12 ZINC000093844910 165338476 /nfs/dbraw/zinc/33/84/76/165338476.db2.gz BXSKUMCJAKEESI-ZDUSSCGKSA-N 1 1 270.380 3.074 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)Cc1cnc(N(C)C)s1 ZINC000349525713 416541900 /nfs/dbraw/zinc/54/19/00/416541900.db2.gz WOGDDDFXASDWFO-UHFFFAOYSA-N 1 1 293.461 3.459 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)Cc1cnc(N(C)C)s1 ZINC000349525713 416541910 /nfs/dbraw/zinc/54/19/10/416541910.db2.gz WOGDDDFXASDWFO-UHFFFAOYSA-N 1 1 293.461 3.459 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+](Cc1cccnc1)C(C)C ZINC000093224188 416497302 /nfs/dbraw/zinc/49/73/02/416497302.db2.gz ZPGLZGRIEKNCAK-UHFFFAOYSA-N 1 1 295.386 3.372 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](Cc1cccnc1)C(C)C ZINC000093224188 416497305 /nfs/dbraw/zinc/49/73/05/416497305.db2.gz ZPGLZGRIEKNCAK-UHFFFAOYSA-N 1 1 295.386 3.372 20 30 CGEDMO CCC#C[C@H](C)[N@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000679159798 543596366 /nfs/dbraw/zinc/59/63/66/543596366.db2.gz MUBCXWREVINDHD-JTQLQIEISA-N 1 1 255.283 3.338 20 30 CGEDMO CCC#C[C@H](C)[N@@H+](C)Cc1cc(F)c(F)c(F)c1 ZINC000679159798 543596369 /nfs/dbraw/zinc/59/63/69/543596369.db2.gz MUBCXWREVINDHD-JTQLQIEISA-N 1 1 255.283 3.338 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CC[C@@H](c2cc(C)cc(C)c2)C1 ZINC000680113975 543685885 /nfs/dbraw/zinc/68/58/85/543685885.db2.gz ZUBKOISLTMWPIF-WBVHZDCISA-N 1 1 259.393 3.030 20 30 CGEDMO CC#CCC[N@@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000680883395 543741437 /nfs/dbraw/zinc/74/14/37/543741437.db2.gz QHJCHGYGVRQHSK-QZTJIDSGSA-N 1 1 271.404 3.500 20 30 CGEDMO C=C(C)C[N@H+](CCCc1cnn(C)c1)Cc1ccccc1 ZINC000684208805 543972962 /nfs/dbraw/zinc/97/29/62/543972962.db2.gz SJOWHHOPOXISCF-UHFFFAOYSA-N 1 1 283.419 3.431 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+]2CCc3ccccc3[C@@H]2C(C)C)C1=O ZINC000685002234 544050768 /nfs/dbraw/zinc/05/07/68/544050768.db2.gz CHSSOKWVSVPMDV-ROUUACIJSA-N 1 1 298.430 3.029 20 30 CGEDMO Cc1noc(C)c1C[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000619748235 418934069 /nfs/dbraw/zinc/93/40/69/418934069.db2.gz COEWLADBLMOAGI-UHFFFAOYSA-N 1 1 275.739 3.106 20 30 CGEDMO C=CCCn1cc(C[NH+]2CCC(C3CCCC3)CC2)nn1 ZINC000653560053 419048323 /nfs/dbraw/zinc/04/83/23/419048323.db2.gz CCOFUYGAZWVTHU-UHFFFAOYSA-N 1 1 288.439 3.256 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2C[C@@H](c3ccccc3)C[C@H]2C)nn1 ZINC000653556992 419048577 /nfs/dbraw/zinc/04/85/77/419048577.db2.gz VRJZWWMSDFMKCT-WBVHZDCISA-N 1 1 296.418 3.232 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CCCCC[C@@H]2CC)nn1 ZINC000653558828 419048646 /nfs/dbraw/zinc/04/86/46/419048646.db2.gz YYARTDCJAAMFOP-HNNXBMFYSA-N 1 1 262.401 3.009 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000653812359 419091466 /nfs/dbraw/zinc/09/14/66/419091466.db2.gz JUXMVPGTTCWOGA-GOSISDBHSA-N 1 1 269.388 3.072 20 30 CGEDMO C=CCC[C@H](NCC[C@@H]([NH3+])C(C)C)c1ccco1 ZINC000665281635 419103079 /nfs/dbraw/zinc/10/30/79/419103079.db2.gz IKNUPORBJOTQHN-KGLIPLIRSA-N 1 1 250.386 3.250 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CCCC[C@H]2CCC)nn1 ZINC000653617024 419061466 /nfs/dbraw/zinc/06/14/66/419061466.db2.gz SONICTJFCCGXOO-OAHLLOKOSA-N 1 1 262.401 3.009 20 30 CGEDMO C=C(CC)C[N@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000660716820 419186480 /nfs/dbraw/zinc/18/64/80/419186480.db2.gz ATSLCFUCEJLLMZ-UHFFFAOYSA-N 1 1 274.412 3.304 20 30 CGEDMO C=CC[N@H+](Cc1cccc(OC)c1Cl)[C@H](C)COC ZINC000661240784 419243128 /nfs/dbraw/zinc/24/31/28/419243128.db2.gz UASPHDIYUARROQ-GFCCVEGCSA-N 1 1 283.799 3.372 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(OC)c1Cl)[C@H](C)COC ZINC000661240784 419243130 /nfs/dbraw/zinc/24/31/30/419243130.db2.gz UASPHDIYUARROQ-GFCCVEGCSA-N 1 1 283.799 3.372 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2nnc(-c3ccccc3)n2C)C1 ZINC000661382388 419254943 /nfs/dbraw/zinc/25/49/43/419254943.db2.gz VFZMEDHSKUQJGM-OAHLLOKOSA-N 1 1 296.418 3.270 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](C)c2nc(-c3cccnc3)no2)C1 ZINC000661378839 419255733 /nfs/dbraw/zinc/25/57/33/419255733.db2.gz MZRBJCZLFZNOGJ-UONOGXRCSA-N 1 1 298.390 3.481 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cn(C)nc2C(F)F)C1 ZINC000661384983 419256160 /nfs/dbraw/zinc/25/61/60/419256160.db2.gz MPPGFRDKVXHVCD-LLVKDONJSA-N 1 1 269.339 3.146 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2nccn2C(F)F)C1 ZINC000661378965 419256209 /nfs/dbraw/zinc/25/62/09/419256209.db2.gz PPPJRUWONAUZFE-NSHDSACASA-N 1 1 255.312 3.066 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2nccn2C(F)F)C1 ZINC000661378965 419256211 /nfs/dbraw/zinc/25/62/11/419256211.db2.gz PPPJRUWONAUZFE-NSHDSACASA-N 1 1 255.312 3.066 20 30 CGEDMO C=CC[N@H+](C[C@H](O)COc1ccccc1C)C(C)(C)C ZINC000661754733 419295207 /nfs/dbraw/zinc/29/52/07/419295207.db2.gz CIXRWPVZQDUEJZ-HNNXBMFYSA-N 1 1 277.408 3.021 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@@H]2CC(C)(C)c3ccccc32)nn1 ZINC000657403257 419271429 /nfs/dbraw/zinc/27/14/29/419271429.db2.gz VUBZGALZQLZHAR-QGZVFWFLSA-N 1 1 296.418 3.366 20 30 CGEDMO COCCC[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356084863 228115049 /nfs/dbraw/zinc/11/50/49/228115049.db2.gz LUAKIDXDZGKNFP-UHFFFAOYSA-N 1 1 286.297 3.045 20 30 CGEDMO COC1(C(F)(F)F)CC[NH+](Cc2ccccc2C#N)CC1 ZINC000418102195 228043304 /nfs/dbraw/zinc/04/33/04/228043304.db2.gz TVKZORGTWGWJKI-UHFFFAOYSA-N 1 1 298.308 3.102 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1cccc(F)c1 ZINC000662078185 419332195 /nfs/dbraw/zinc/33/21/95/419332195.db2.gz CLQJOWKIXSBMRX-IYBDPMFKSA-N 1 1 288.366 3.337 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(-c2ccoc2)no1 ZINC000662083313 419333148 /nfs/dbraw/zinc/33/31/48/419333148.db2.gz CHXJSVZPDYJEDB-BETUJISGSA-N 1 1 271.320 3.013 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)[C@H](C)c1ccccc1 ZINC000662089407 419334487 /nfs/dbraw/zinc/33/44/87/419334487.db2.gz XWJRKEKAGFRMFZ-NRSFXHEJSA-N 1 1 271.404 3.334 20 30 CGEDMO C=C(CC)CN1CC[N@@H+](CC(=C)CC)[C@H](C)[C@H]1C ZINC000662226450 419367030 /nfs/dbraw/zinc/36/70/30/419367030.db2.gz ZXPZUFCCMAMWLQ-HZPDHXFCSA-N 1 1 250.430 3.313 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(Cl)cc1)CC1=CCSC1 ZINC000662269106 419380052 /nfs/dbraw/zinc/38/00/52/419380052.db2.gz XZOUNMPAHBBSFK-UHFFFAOYSA-N 1 1 277.820 3.297 20 30 CGEDMO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1CCCCC#N ZINC000066851501 260249099 /nfs/dbraw/zinc/24/90/99/260249099.db2.gz OKRNJQKEQWGZDJ-ZBFHGGJFSA-N 1 1 258.365 3.142 20 30 CGEDMO CC(C)[C@@H](C)[N@H+]1Cc2cccc(N[C@@H](C)C#N)c2C1 ZINC000069165380 260260079 /nfs/dbraw/zinc/26/00/79/260260079.db2.gz VOZPHDKSBAHGPE-QWHCGFSZSA-N 1 1 257.381 3.371 20 30 CGEDMO CC[N@H+](CCCSCC#N)Cc1c(F)cccc1F ZINC000080627984 260317097 /nfs/dbraw/zinc/31/70/97/260317097.db2.gz YBVAUQSBJZHXAK-UHFFFAOYSA-N 1 1 284.375 3.434 20 30 CGEDMO CC[N@@H+](CCCSCC#N)Cc1c(F)cccc1F ZINC000080627984 260317099 /nfs/dbraw/zinc/31/70/99/260317099.db2.gz YBVAUQSBJZHXAK-UHFFFAOYSA-N 1 1 284.375 3.434 20 30 CGEDMO N#CCC[N@@H+](Cc1cccc(OC(F)F)c1)CC1CC1 ZINC000081060575 260329798 /nfs/dbraw/zinc/32/97/98/260329798.db2.gz NBWJSKKYAZRNMI-UHFFFAOYSA-N 1 1 280.318 3.414 20 30 CGEDMO N#CCC[N@H+](Cc1cccc(OC(F)F)c1)CC1CC1 ZINC000081060575 260329800 /nfs/dbraw/zinc/32/98/00/260329800.db2.gz NBWJSKKYAZRNMI-UHFFFAOYSA-N 1 1 280.318 3.414 20 30 CGEDMO C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1CCC(C)(C)C#N ZINC000119906841 260698282 /nfs/dbraw/zinc/69/82/82/260698282.db2.gz AQBMIFDLJCXBMB-ZBFHGGJFSA-N 1 1 272.392 3.388 20 30 CGEDMO C[C@@H]1CO[C@H](c2ccccc2)C[N@H+]1CCC(C)(C)C#N ZINC000119906841 260698284 /nfs/dbraw/zinc/69/82/84/260698284.db2.gz AQBMIFDLJCXBMB-ZBFHGGJFSA-N 1 1 272.392 3.388 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+](CC)[C@@H]1CCCC[C@@H]1C ZINC000444670120 261061285 /nfs/dbraw/zinc/06/12/85/261061285.db2.gz FCKQHTXAAYGBKB-JKSUJKDBSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CC1CC[NH+](Cc2csc([C@@H](C)OC)n2)CC1 ZINC000175220518 261214202 /nfs/dbraw/zinc/21/42/02/261214202.db2.gz WNLQKMPAFKZIBM-LLVKDONJSA-N 1 1 266.410 3.249 20 30 CGEDMO C=CC[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000249273278 261248083 /nfs/dbraw/zinc/24/80/83/261248083.db2.gz KROZBQBFJQLCCD-FGTMMUONSA-N 1 1 298.430 3.041 20 30 CGEDMO COc1ccc(C[N@@H+](C)CCCC(C)(C)C#N)c(OC)c1 ZINC000174809018 261584183 /nfs/dbraw/zinc/58/41/83/261584183.db2.gz KZNYDGHDMPJPMY-UHFFFAOYSA-N 1 1 290.407 3.466 20 30 CGEDMO C=CC1CC[NH+](Cc2nc(Cc3ccccc3)no2)CC1 ZINC000111256426 262258641 /nfs/dbraw/zinc/25/86/41/262258641.db2.gz FONYWAYJTWSYPH-UHFFFAOYSA-N 1 1 283.375 3.058 20 30 CGEDMO COc1ccc(C[C@@H](C)C[N@@H+](C)C[C@H](C)C#N)cc1F ZINC000274707695 263029453 /nfs/dbraw/zinc/02/94/53/263029453.db2.gz ZOPLQNRKLSQPFR-CHWSQXEVSA-N 1 1 278.371 3.104 20 30 CGEDMO N#CCCCC[N@H+]1CCC[C@@H]1c1nc2c([nH]1)CCCC2 ZINC000275913206 263034379 /nfs/dbraw/zinc/03/43/79/263034379.db2.gz JIQXBAOGPZKISK-OAHLLOKOSA-N 1 1 272.396 3.119 20 30 CGEDMO C[N@H+](CCCC#N)[C@@]1(c2ccccc2)CCCCC1=O ZINC000276285632 263035750 /nfs/dbraw/zinc/03/57/50/263035750.db2.gz GECZALYKBYULJB-QGZVFWFLSA-N 1 1 270.376 3.261 20 30 CGEDMO C[N@@H+](CCCC#N)[C@@]1(c2ccccc2)CCCCC1=O ZINC000276285632 263035751 /nfs/dbraw/zinc/03/57/51/263035751.db2.gz GECZALYKBYULJB-QGZVFWFLSA-N 1 1 270.376 3.261 20 30 CGEDMO COc1c(C)c[nH+]c(CN2CCCC(C)(C)[C@H]2C#N)c1C ZINC000277693401 263042896 /nfs/dbraw/zinc/04/28/96/263042896.db2.gz HFAFHMOEAPLWAP-OAHLLOKOSA-N 1 1 287.407 3.221 20 30 CGEDMO C[N@@H+](Cc1ccc(OC(F)F)cc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000278748616 263050304 /nfs/dbraw/zinc/05/03/04/263050304.db2.gz WVRYJHSKZMSOIQ-CHWSQXEVSA-N 1 1 280.318 3.412 20 30 CGEDMO C[N@H+](Cc1nc2ccccc2s1)[C@@H]1CC[C@H](C#N)C1 ZINC000278751037 263050746 /nfs/dbraw/zinc/05/07/46/263050746.db2.gz XCKPEJDGOHGOES-NWDGAFQWSA-N 1 1 271.389 3.420 20 30 CGEDMO C[N@@H+](Cc1nc2ccccc2s1)[C@@H]1CC[C@H](C#N)C1 ZINC000278751037 263050747 /nfs/dbraw/zinc/05/07/47/263050747.db2.gz XCKPEJDGOHGOES-NWDGAFQWSA-N 1 1 271.389 3.420 20 30 CGEDMO Cc1ccccc1-n1nccc1C[NH+]1CCC(C)(C#N)CC1 ZINC000280157074 263059460 /nfs/dbraw/zinc/05/94/60/263059460.db2.gz FNCSISWMQKBFSN-UHFFFAOYSA-N 1 1 294.402 3.306 20 30 CGEDMO COC[C@H]([NH2+]CCCC#N)c1cccc(Cl)c1F ZINC000287558160 263102201 /nfs/dbraw/zinc/10/22/01/263102201.db2.gz GBKYRWXXSVFJIQ-LBPRGKRZSA-N 1 1 270.735 3.060 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289709618 263111496 /nfs/dbraw/zinc/11/14/96/263111496.db2.gz CGHXACFGHNCGJJ-CYBMUJFWSA-N 1 1 280.803 3.113 20 30 CGEDMO Cc1ccoc1C[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000292346213 263131275 /nfs/dbraw/zinc/13/12/75/263131275.db2.gz PLMXSHVMHWITEU-UHFFFAOYSA-N 1 1 276.380 3.120 20 30 CGEDMO C[C@H]1C[C@H]1c1ccc(C[N@@H+](CCOCCC#N)C2CC2)o1 ZINC000293441010 263140513 /nfs/dbraw/zinc/14/05/13/263140513.db2.gz JXFBIAIDFFCSGP-XJKSGUPXSA-N 1 1 288.391 3.298 20 30 CGEDMO N#CCCOCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000293590487 263143932 /nfs/dbraw/zinc/14/39/32/263143932.db2.gz OGBOZYAGKVOGRP-KSZLIROESA-N 1 1 284.403 3.185 20 30 CGEDMO CC[C@@H](C[N@@H+](CC)CCOCCC#N)c1ccccc1 ZINC000294539882 263163375 /nfs/dbraw/zinc/16/33/75/263163375.db2.gz KHJRTCWGEVCLPE-INIZCTEOSA-N 1 1 274.408 3.432 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CC[C@H](C#N)C1 ZINC000297716318 263208719 /nfs/dbraw/zinc/20/87/19/263208719.db2.gz BFKPFKJHEUONOT-DOTOQJQBSA-N 1 1 265.360 3.239 20 30 CGEDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@@H](C)CCC#N ZINC000297921873 263212057 /nfs/dbraw/zinc/21/20/57/263212057.db2.gz QMJOWSYZLNGALA-ZDUSSCGKSA-N 1 1 276.380 3.218 20 30 CGEDMO CC[N@@H+](Cc1ccc(OC)cc1OC)[C@@H]1CC[C@H](C#N)C1 ZINC000298027852 263214377 /nfs/dbraw/zinc/21/43/77/263214377.db2.gz FBUUGIGERABNBP-DZGCQCFKSA-N 1 1 288.391 3.218 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000340868320 263310504 /nfs/dbraw/zinc/31/05/04/263310504.db2.gz AMCLSTUQPOCSCP-GXTWGEPZSA-N 1 1 262.401 3.037 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000340868320 263310506 /nfs/dbraw/zinc/31/05/06/263310506.db2.gz AMCLSTUQPOCSCP-GXTWGEPZSA-N 1 1 262.401 3.037 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H](c2nc(C)n[nH]2)C1 ZINC000340868320 263310507 /nfs/dbraw/zinc/31/05/07/263310507.db2.gz AMCLSTUQPOCSCP-GXTWGEPZSA-N 1 1 262.401 3.037 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000340868320 263310510 /nfs/dbraw/zinc/31/05/10/263310510.db2.gz AMCLSTUQPOCSCP-GXTWGEPZSA-N 1 1 262.401 3.037 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H](c2n[nH]c(C)n2)C1 ZINC000340868320 263310511 /nfs/dbraw/zinc/31/05/11/263310511.db2.gz AMCLSTUQPOCSCP-GXTWGEPZSA-N 1 1 262.401 3.037 20 30 CGEDMO C=CCCC[N@H+](C)CC[C@H](C(=O)OC)c1ccccc1 ZINC000425401620 264282406 /nfs/dbraw/zinc/28/24/06/264282406.db2.gz HEYVILKOUFEOJX-INIZCTEOSA-N 1 1 275.392 3.231 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(-c2ccccn2)nc1 ZINC000425437635 264320058 /nfs/dbraw/zinc/32/00/58/264320058.db2.gz BJHGHTIHZASSDR-UHFFFAOYSA-N 1 1 253.349 3.152 20 30 CGEDMO COc1ccc(C[N@H+](C)Cc2ccccc2C#N)cc1 ZINC000042268016 270032003 /nfs/dbraw/zinc/03/20/03/270032003.db2.gz KITLVHLOSVMSHZ-UHFFFAOYSA-N 1 1 266.344 3.199 20 30 CGEDMO COc1ccc(C[N@@H+](C)Cc2ccccc2C#N)cc1 ZINC000042268016 270032005 /nfs/dbraw/zinc/03/20/05/270032005.db2.gz KITLVHLOSVMSHZ-UHFFFAOYSA-N 1 1 266.344 3.199 20 30 CGEDMO CO[C@]1(C)C[C@H]([N@@H+](C)CCC(C)(C)C#N)C1(C)C ZINC000345706045 265097617 /nfs/dbraw/zinc/09/76/17/265097617.db2.gz FUVFOQKNEGLJDF-SWLSCSKDSA-N 1 1 252.402 3.062 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](n3cc(C)cn3)C2)cc1 ZINC000356505829 266127309 /nfs/dbraw/zinc/12/73/09/266127309.db2.gz NOLYFRONBIDTOC-KRWDZBQOSA-N 1 1 297.402 3.203 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000357554873 266323534 /nfs/dbraw/zinc/32/35/34/266323534.db2.gz RAKNFCUOHONPIK-UHFFFAOYSA-N 1 1 266.728 3.399 20 30 CGEDMO C=CC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000357554873 266323537 /nfs/dbraw/zinc/32/35/37/266323537.db2.gz RAKNFCUOHONPIK-UHFFFAOYSA-N 1 1 266.728 3.399 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cc(C(=O)OC)c(C)n1C ZINC000361185208 266797253 /nfs/dbraw/zinc/79/72/53/266797253.db2.gz DUMKZCXLWARYAQ-UHFFFAOYSA-N 1 1 292.423 3.298 20 30 CGEDMO CCCCC[C@H]1CCC[N@H+]1CC(=O)N(CC)C[C@@H](C)C#N ZINC000362943353 267064474 /nfs/dbraw/zinc/06/44/74/267064474.db2.gz XYVMDZKLOIVHDU-HOTGVXAUSA-N 1 1 293.455 3.039 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000368070369 267143543 /nfs/dbraw/zinc/14/35/43/267143543.db2.gz CPSPWWVMSSHDKS-ZIAGYGMSSA-N 1 1 264.413 3.206 20 30 CGEDMO N#CCSCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000368231241 267153887 /nfs/dbraw/zinc/15/38/87/267153887.db2.gz JPKHFGLNVGGHDV-XHSDSOJGSA-N 1 1 296.480 3.039 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000368439655 267172272 /nfs/dbraw/zinc/17/22/72/267172272.db2.gz WVNIJUJXRLFYDF-CABCVRRESA-N 1 1 264.413 3.065 20 30 CGEDMO COCC[C@@H]1CCCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000368657942 267194976 /nfs/dbraw/zinc/19/49/76/267194976.db2.gz FYAKJISGFBBPMJ-HNNXBMFYSA-N 1 1 266.429 3.455 20 30 CGEDMO N#CCCCC[N@@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000368903579 267212043 /nfs/dbraw/zinc/21/20/43/267212043.db2.gz YDGSTKXKXCFQCX-DLBZAZTESA-N 1 1 272.392 3.268 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@]3(CC=CCC3)C2)nc1 ZINC000519577608 268219772 /nfs/dbraw/zinc/21/97/72/268219772.db2.gz OFHBFDLYTFDDOP-KRWDZBQOSA-N 1 1 267.376 3.276 20 30 CGEDMO N#Cc1ccc(NC[C@@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000528115168 268248621 /nfs/dbraw/zinc/24/86/21/268248621.db2.gz OQXSZAOUEOJQCE-KRWDZBQOSA-N 1 1 269.392 3.377 20 30 CGEDMO CN(Cc1ccc2nc[nH]c2c1)Cc1cc(C#N)ccc1F ZINC000533255641 270222614 /nfs/dbraw/zinc/22/26/14/270222614.db2.gz XTRMQAJDGCNORE-UHFFFAOYSA-N 1 1 294.333 3.206 20 30 CGEDMO C[N@H+](Cc1ccc2[nH]cnc2c1)Cc1cc(C#N)ccc1F ZINC000533255641 270222615 /nfs/dbraw/zinc/22/26/15/270222615.db2.gz XTRMQAJDGCNORE-UHFFFAOYSA-N 1 1 294.333 3.206 20 30 CGEDMO C[N@@H+](Cc1ccc2[nH]cnc2c1)Cc1cc(C#N)ccc1F ZINC000533255641 270222616 /nfs/dbraw/zinc/22/26/16/270222616.db2.gz XTRMQAJDGCNORE-UHFFFAOYSA-N 1 1 294.333 3.206 20 30 CGEDMO C[N@H+](Cc1ccc2nc[nH]c2c1)Cc1cc(C#N)ccc1F ZINC000533255641 270222617 /nfs/dbraw/zinc/22/26/17/270222617.db2.gz XTRMQAJDGCNORE-UHFFFAOYSA-N 1 1 294.333 3.206 20 30 CGEDMO C[N@@H+](Cc1ccc2nc[nH]c2c1)Cc1cc(C#N)ccc1F ZINC000533255641 270222618 /nfs/dbraw/zinc/22/26/18/270222618.db2.gz XTRMQAJDGCNORE-UHFFFAOYSA-N 1 1 294.333 3.206 20 30 CGEDMO C[C@@H](N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccc(C#N)cc1 ZINC000362232796 274262498 /nfs/dbraw/zinc/26/24/98/274262498.db2.gz CXYURWCSVCCAAI-PBHICJAKSA-N 1 1 283.419 3.226 20 30 CGEDMO C[C@@H]([NH2+][C@H]1CCN(C2CCCC2)C1)c1ccc(C#N)cc1 ZINC000362232796 274262499 /nfs/dbraw/zinc/26/24/99/274262499.db2.gz CXYURWCSVCCAAI-PBHICJAKSA-N 1 1 283.419 3.226 20 30 CGEDMO CCC[N@H+](Cc1cc(C#N)ccc1F)C[C@@H]1CCCCO1 ZINC000106866516 276255436 /nfs/dbraw/zinc/25/54/36/276255436.db2.gz WDCLEMMIQVBBHG-INIZCTEOSA-N 1 1 290.382 3.478 20 30 CGEDMO CC(C)(C)N1CCC([NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000336205259 277151526 /nfs/dbraw/zinc/15/15/26/277151526.db2.gz OTENOHRXDVAOKF-UHFFFAOYSA-N 1 1 277.456 3.311 20 30 CGEDMO C[C@H](CCNc1ncccc1C#N)[N@@H+](C)Cc1ccccc1 ZINC000301480927 278174429 /nfs/dbraw/zinc/17/44/29/278174429.db2.gz SAVRLDQTUXWBNY-OAHLLOKOSA-N 1 1 294.402 3.276 20 30 CGEDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NCc1ccc(C#N)cc1 ZINC000067251523 279323334 /nfs/dbraw/zinc/32/33/34/279323334.db2.gz PQXMOOQYNMYPPW-OWCLPIDISA-N 1 1 285.435 3.014 20 30 CGEDMO C[C@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]Cc1ccc(C#N)cc1 ZINC000067251523 279323337 /nfs/dbraw/zinc/32/33/37/279323337.db2.gz PQXMOOQYNMYPPW-OWCLPIDISA-N 1 1 285.435 3.014 20 30 CGEDMO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]Cc1ccc(C#N)cn1 ZINC000554066260 289254171 /nfs/dbraw/zinc/25/41/71/289254171.db2.gz BWXDKABIATYGSK-LBPRGKRZSA-N 1 1 297.406 3.064 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000342026115 290221751 /nfs/dbraw/zinc/22/17/51/290221751.db2.gz VZDUZDSHEHHHQU-PBHICJAKSA-N 1 1 270.376 3.122 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000339226635 328002786 /nfs/dbraw/zinc/00/27/86/328002786.db2.gz IMBMGLGFTRTCLF-QGZVFWFLSA-N 1 1 286.419 3.098 20 30 CGEDMO C[C@H](O)C[N@@H+](Cc1ccccc1)CC(C)(C)CCC#N ZINC000534345644 328047328 /nfs/dbraw/zinc/04/73/28/328047328.db2.gz CUXXBIHIQHPEKV-HNNXBMFYSA-N 1 1 274.408 3.199 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(C(=O)OC(C)C)cc1 ZINC000563546838 328072870 /nfs/dbraw/zinc/07/28/70/328072870.db2.gz KFJWFORNHOTVNI-HNNXBMFYSA-N 1 1 274.364 3.034 20 30 CGEDMO C=CC[N@H+](Cc1c(C)cnn1C)CC1CCCCC1 ZINC000571126183 328086595 /nfs/dbraw/zinc/08/65/95/328086595.db2.gz TXTSJNKHVVAECT-UHFFFAOYSA-N 1 1 261.413 3.297 20 30 CGEDMO C[N@@H+](Cc1cccs1)Cc1ccc(OCC#N)cc1 ZINC000264550967 328160162 /nfs/dbraw/zinc/16/01/62/328160162.db2.gz LGUNGDBHOXLAPI-UHFFFAOYSA-N 1 1 272.373 3.282 20 30 CGEDMO C[N@H+](Cc1ccc(OCC#N)cc1)CC1CCCC1 ZINC000264556660 328160318 /nfs/dbraw/zinc/16/03/18/328160318.db2.gz MVHFJLXHTKTFCH-UHFFFAOYSA-N 1 1 258.365 3.211 20 30 CGEDMO Cc1ccccc1CN1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000266046438 328167690 /nfs/dbraw/zinc/16/76/90/328167690.db2.gz WGLNAZIOFCFWMY-UHFFFAOYSA-N 1 1 285.435 3.053 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCSC[C@H]2C)c1 ZINC000179662810 329210205 /nfs/dbraw/zinc/21/02/05/329210205.db2.gz JDRDFRWHEWICBY-CYBMUJFWSA-N 1 1 263.406 3.189 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000295930522 328288098 /nfs/dbraw/zinc/28/80/98/328288098.db2.gz KHGITCPJYIBWJP-OAHLLOKOSA-N 1 1 257.381 3.201 20 30 CGEDMO CC[C@H](CSC)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000564324161 322027458 /nfs/dbraw/zinc/02/74/58/322027458.db2.gz FWZDIFHKBSMUTH-LLVKDONJSA-N 1 1 254.424 3.193 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)N(CC)C1CCCCC1 ZINC000535010401 328376528 /nfs/dbraw/zinc/37/65/28/328376528.db2.gz MXUFSFWAOVCHSR-HNNXBMFYSA-N 1 1 280.456 3.454 20 30 CGEDMO CC[C@H](C[NH2+]CCC#N)Oc1cccc(Cl)c1 ZINC000564850296 327015079 /nfs/dbraw/zinc/01/50/79/327015079.db2.gz SBOUUXNZKIWQHC-GFCCVEGCSA-N 1 1 252.745 3.001 20 30 CGEDMO C=CCCCC[C@H](C)[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000449162318 327102057 /nfs/dbraw/zinc/10/20/57/327102057.db2.gz RGEQYAMZZJZJTF-DLBZAZTESA-N 1 1 294.483 3.212 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@]3(C2)CCc2ccccc2O3)C1 ZINC000559247786 327150034 /nfs/dbraw/zinc/15/00/34/327150034.db2.gz IMVYCKNUMKSHFP-HFTRVMKXSA-N 1 1 282.387 3.148 20 30 CGEDMO CC(C)O[C@@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000572598961 327173032 /nfs/dbraw/zinc/17/30/32/327173032.db2.gz HJFLWTWMDMKXCQ-MRXNPFEDSA-N 1 1 286.419 3.487 20 30 CGEDMO CCOc1cccc([C@H](C)[NH2+]C[C@@H](C#N)CCC#N)c1 ZINC000112537339 327286288 /nfs/dbraw/zinc/28/62/88/327286288.db2.gz GNYDULNXTUFPRU-UONOGXRCSA-N 1 1 271.364 3.179 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)CC1Cc2ccccc2C1 ZINC000582757895 329146488 /nfs/dbraw/zinc/14/64/88/329146488.db2.gz WWVNTKWZYQQJNL-UHFFFAOYSA-N 1 1 276.383 3.405 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccc(OC)cc1)[C@H](CO)C(C)C ZINC000179921078 329213586 /nfs/dbraw/zinc/21/35/86/329213586.db2.gz CEUXAZHLASITFM-QGZVFWFLSA-N 1 1 277.408 3.090 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc2oc(C(=O)OC)cc2c1 ZINC000181315870 329231027 /nfs/dbraw/zinc/23/10/27/329231027.db2.gz LTSZZGNKNQQJLX-UHFFFAOYSA-N 1 1 273.332 3.227 20 30 CGEDMO Cc1cc(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)ccc1C#N ZINC000582940413 329291582 /nfs/dbraw/zinc/29/15/82/329291582.db2.gz BMWCIFNXWUIFKT-BETUJISGSA-N 1 1 260.406 3.193 20 30 CGEDMO CC(C)[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cn1 ZINC000583061206 329309081 /nfs/dbraw/zinc/30/90/81/329309081.db2.gz WQPNSJRSNVVUSX-UHFFFAOYSA-N 1 1 265.360 3.364 20 30 CGEDMO CN(C)CC[C@@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)C(C)(C)C ZINC000185827907 329329906 /nfs/dbraw/zinc/32/99/06/329329906.db2.gz RUIFYHNQGJGPCX-RRFJBIMHSA-N 1 1 265.445 3.025 20 30 CGEDMO C=C(C[NH2+][C@H](Cc1ccccc1)[C@@H](C)N)c1ccccc1 ZINC000423024013 330166083 /nfs/dbraw/zinc/16/60/83/330166083.db2.gz IKEOWDVYIDAMJB-VQIMIIECSA-N 1 1 280.415 3.248 20 30 CGEDMO CC(C)(CCC#N)C[NH2+][C@@H]1C[C@@H](N)c2ccccc21 ZINC000423130358 330171888 /nfs/dbraw/zinc/17/18/88/330171888.db2.gz RYFFVRRZZRPNPT-HUUCEWRRSA-N 1 1 257.381 3.051 20 30 CGEDMO C=CCC(C)(C)C[NH2+][C@H](Cc1ccccc1)[C@H](C)N ZINC000423139913 330172282 /nfs/dbraw/zinc/17/22/82/330172282.db2.gz WVXRGTUUPCUNLD-GOEBONIOSA-N 1 1 260.425 3.137 20 30 CGEDMO N#CCC[N@H+](Cc1ccc2c(c1)CCC2)CC1CC1 ZINC000081514892 330212383 /nfs/dbraw/zinc/21/23/83/330212383.db2.gz OATCFKQHPMUMAU-UHFFFAOYSA-N 1 1 254.377 3.301 20 30 CGEDMO C[C@@H]1CC(F)(F)CC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000528774203 330282838 /nfs/dbraw/zinc/28/28/38/330282838.db2.gz UFCGNJKYOUMAGG-CYBMUJFWSA-N 1 1 286.366 3.207 20 30 CGEDMO C=CCN1CCC([NH2+]Cc2c(F)cc(C)cc2F)CC1 ZINC000424148742 330295246 /nfs/dbraw/zinc/29/52/46/330295246.db2.gz UZCNKGJZVMIPEU-UHFFFAOYSA-N 1 1 280.362 3.013 20 30 CGEDMO C=CCn1cc(C[NH2+][C@H]2C[C@H](C)c3c2cccc3C)nn1 ZINC000424295419 330335821 /nfs/dbraw/zinc/33/58/21/330335821.db2.gz MSCDYSQQKQNHLB-BBRMVZONSA-N 1 1 282.391 3.111 20 30 CGEDMO N#CCCC[C@@H]([NH3+])c1nc(-c2cccc(Cl)c2)no1 ZINC000424336943 330343552 /nfs/dbraw/zinc/34/35/52/330343552.db2.gz JYMMGDDJAREBEF-LLVKDONJSA-N 1 1 276.727 3.084 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(Cl)cc1)[C@@H]1CCSC1 ZINC000089935969 330388866 /nfs/dbraw/zinc/38/88/66/330388866.db2.gz WPVQFBZQEFLGCK-CQSZACIVSA-N 1 1 265.809 3.129 20 30 CGEDMO Cc1nnc(C[NH2+][C@H](CCCC#N)c2ccccc2)s1 ZINC000433019550 330612461 /nfs/dbraw/zinc/61/24/61/330612461.db2.gz OCSRHRJTCUJTMY-CQSZACIVSA-N 1 1 286.404 3.371 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]1C ZINC000451150464 331017723 /nfs/dbraw/zinc/01/77/23/331017723.db2.gz WOHCMCAEXZGABR-LOWDOPEQSA-N 1 1 279.346 3.365 20 30 CGEDMO CS[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000451324398 331024524 /nfs/dbraw/zinc/02/45/24/331024524.db2.gz LDKFUXYABOVULK-CYBMUJFWSA-N 1 1 265.809 3.129 20 30 CGEDMO CS[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000451324398 331024525 /nfs/dbraw/zinc/02/45/25/331024525.db2.gz LDKFUXYABOVULK-CYBMUJFWSA-N 1 1 265.809 3.129 20 30 CGEDMO CCO[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1C ZINC000451522701 331032516 /nfs/dbraw/zinc/03/25/16/331032516.db2.gz BPBSQPREBGDWGQ-RHSMWYFYSA-N 1 1 291.822 3.438 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550000 331033817 /nfs/dbraw/zinc/03/38/17/331033817.db2.gz QJBYHHOPDHTAGT-AWEZNQCLSA-N 1 1 260.337 3.350 20 30 CGEDMO CCO[C@H]1CC[N@@H+](CCCCC(C)(C)C#N)C[C@H]1C ZINC000451551045 331033987 /nfs/dbraw/zinc/03/39/87/331033987.db2.gz XKNVCHUQDSCUIE-CABCVRRESA-N 1 1 266.429 3.453 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000451554483 331034151 /nfs/dbraw/zinc/03/41/51/331034151.db2.gz ZZCTUBSJIHNHPA-UKPHBRMFSA-N 1 1 299.374 3.466 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451914287 331047258 /nfs/dbraw/zinc/04/72/58/331047258.db2.gz ZLXNPPXZIJROHG-MRXNPFEDSA-N 1 1 264.413 3.209 20 30 CGEDMO CC1(C)C[N@@H+](CC#Cc2cccc(Cl)c2)[C@@H]2COC[C@@H]21 ZINC000452107439 331054373 /nfs/dbraw/zinc/05/43/73/331054373.db2.gz BBDQSXIIFATMJZ-JKSUJKDBSA-N 1 1 289.806 3.048 20 30 CGEDMO C[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C1CC(C)(C)C1 ZINC000459742446 331297489 /nfs/dbraw/zinc/29/74/89/331297489.db2.gz OKTPNOUFPQFBNG-UHFFFAOYSA-N 1 1 299.418 3.054 20 30 CGEDMO C[C@@H](C[N@@H+](C)CCCC(C)(C)C#N)C(=O)OC(C)(C)C ZINC000459818071 331302075 /nfs/dbraw/zinc/30/20/75/331302075.db2.gz XXHJAMHMBMNPTJ-ZDUSSCGKSA-N 1 1 282.428 3.226 20 30 CGEDMO CC#CCC[N@@H+](C)CCCOc1cccc(Cl)c1 ZINC000462314683 331319206 /nfs/dbraw/zinc/31/92/06/331319206.db2.gz LHSLHBMLBSYVGH-UHFFFAOYSA-N 1 1 265.784 3.454 20 30 CGEDMO C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1c1cccc(C)c1C ZINC000464781506 331367848 /nfs/dbraw/zinc/36/78/48/331367848.db2.gz SPNASCOOWAGUMV-QGZVFWFLSA-N 1 1 286.419 3.133 20 30 CGEDMO C=CCOc1ccc(CN2CC[N@@H+](C)[C@@H](C(C)C)C2)cc1 ZINC000488556725 332017166 /nfs/dbraw/zinc/01/71/66/332017166.db2.gz JYTVUFGRXIJMGB-GOSISDBHSA-N 1 1 288.435 3.023 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCOc3ccc(F)cc3C2)cc1 ZINC000489269971 332044835 /nfs/dbraw/zinc/04/48/35/332044835.db2.gz PQCJNWOEUBQKCZ-UHFFFAOYSA-N 1 1 296.345 3.286 20 30 CGEDMO N#CCc1ccc(C[N@@H+]2CCOc3ccc(F)cc3C2)cc1 ZINC000489269971 332044836 /nfs/dbraw/zinc/04/48/36/332044836.db2.gz PQCJNWOEUBQKCZ-UHFFFAOYSA-N 1 1 296.345 3.286 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nc2ccccc2n1C ZINC000489394815 332049864 /nfs/dbraw/zinc/04/98/64/332049864.db2.gz DOARFFBKHARREZ-CYBMUJFWSA-N 1 1 255.365 3.114 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nc2ccccc2n1C ZINC000489394815 332049865 /nfs/dbraw/zinc/04/98/65/332049865.db2.gz DOARFFBKHARREZ-CYBMUJFWSA-N 1 1 255.365 3.114 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+](C)[C@H]2CC2(C)C)c1C ZINC000489468343 332054628 /nfs/dbraw/zinc/05/46/28/332054628.db2.gz IDPUJVQCEOAMKI-INIZCTEOSA-N 1 1 274.408 3.204 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@H+](C)[C@H]2CC2(C)C)c1C ZINC000489468343 332054630 /nfs/dbraw/zinc/05/46/30/332054630.db2.gz IDPUJVQCEOAMKI-INIZCTEOSA-N 1 1 274.408 3.204 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)N1c2ccccc2C[C@H]1C ZINC000489481974 332055247 /nfs/dbraw/zinc/05/52/47/332055247.db2.gz TVRRMFZKQMOIQP-ZBFHGGJFSA-N 1 1 284.403 3.005 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)N1c2ccccc2C[C@H]1C ZINC000489481974 332055248 /nfs/dbraw/zinc/05/52/48/332055248.db2.gz TVRRMFZKQMOIQP-ZBFHGGJFSA-N 1 1 284.403 3.005 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(OC)cc1 ZINC000489477806 332055387 /nfs/dbraw/zinc/05/53/87/332055387.db2.gz MMFWAYJVSCIIJI-HNNXBMFYSA-N 1 1 288.391 3.064 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cc(F)cc(F)c1 ZINC000489510935 332057580 /nfs/dbraw/zinc/05/75/80/332057580.db2.gz MSFQNILQLXAPRO-HNNXBMFYSA-N 1 1 294.345 3.334 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000489519146 332057892 /nfs/dbraw/zinc/05/78/92/332057892.db2.gz XGCLXZKWJXGFQF-CYBMUJFWSA-N 1 1 276.336 3.144 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C)c(C)c1 ZINC000489516047 332057931 /nfs/dbraw/zinc/05/79/31/332057931.db2.gz SMHSGOCSAAKDPX-INIZCTEOSA-N 1 1 272.392 3.282 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(C)c(C)c1 ZINC000489516047 332057932 /nfs/dbraw/zinc/05/79/32/332057932.db2.gz SMHSGOCSAAKDPX-INIZCTEOSA-N 1 1 272.392 3.282 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)Cc2ccc(C3CC3)cc2)n1 ZINC000491371613 332198822 /nfs/dbraw/zinc/19/88/22/332198822.db2.gz FWVQJNGIBYRTGE-UHFFFAOYSA-N 1 1 293.414 3.416 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)Cc2ccc(C3CC3)cc2)n1 ZINC000491371613 332198823 /nfs/dbraw/zinc/19/88/23/332198823.db2.gz FWVQJNGIBYRTGE-UHFFFAOYSA-N 1 1 293.414 3.416 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1cnc(-c2ccsc2)s1 ZINC000491517559 332228225 /nfs/dbraw/zinc/22/82/25/332228225.db2.gz ZDFJMTTZZIAJAR-SNVBAGLBSA-N 1 1 262.403 3.325 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cnc(-c2ccsc2)s1 ZINC000491517559 332228226 /nfs/dbraw/zinc/22/82/26/332228226.db2.gz ZDFJMTTZZIAJAR-SNVBAGLBSA-N 1 1 262.403 3.325 20 30 CGEDMO C#CC[N@@H+](Cc1cncn1CC)[C@@H]1CCc2ccccc21 ZINC000491553804 332236298 /nfs/dbraw/zinc/23/62/98/332236298.db2.gz CTNVLIJRNVPVRV-GOSISDBHSA-N 1 1 279.387 3.026 20 30 CGEDMO C#CC[N@H+](Cc1cncn1CC)[C@@H]1CCc2ccccc21 ZINC000491553804 332236299 /nfs/dbraw/zinc/23/62/99/332236299.db2.gz CTNVLIJRNVPVRV-GOSISDBHSA-N 1 1 279.387 3.026 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1cccc(OCc2ccccn2)c1 ZINC000491699335 332293757 /nfs/dbraw/zinc/29/37/57/332293757.db2.gz NBWGLRKFGIWHQZ-HNNXBMFYSA-N 1 1 280.371 3.114 20 30 CGEDMO C#C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccc(F)cc1 ZINC000491701942 332296141 /nfs/dbraw/zinc/29/61/41/332296141.db2.gz XKAABESBBSIAQJ-KRWDZBQOSA-N 1 1 264.303 3.161 20 30 CGEDMO C#C[C@H]([NH2+][C@@H](C)Cn1cccn1)c1ccc(Cl)cc1F ZINC000491770459 332337213 /nfs/dbraw/zinc/33/72/13/332337213.db2.gz OOETTYZOBQHIMG-NHYWBVRUSA-N 1 1 291.757 3.028 20 30 CGEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CCCC(C)(C)C#N)C1(C)C ZINC000174872435 333009491 /nfs/dbraw/zinc/00/94/91/333009491.db2.gz CSQVKCZJMCGMAQ-ZIAGYGMSSA-N 1 1 266.429 3.452 20 30 CGEDMO C=CCOc1ccccc1CNCC[N@H+](C)[C@H](C)CC ZINC000217373067 333120483 /nfs/dbraw/zinc/12/04/83/333120483.db2.gz WKJLQFYMUSKYCK-OAHLLOKOSA-N 1 1 276.424 3.071 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]CCN(C)[C@H](C)CC ZINC000217373067 333120484 /nfs/dbraw/zinc/12/04/84/333120484.db2.gz WKJLQFYMUSKYCK-OAHLLOKOSA-N 1 1 276.424 3.071 20 30 CGEDMO CC#CC[N@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000191237198 333217096 /nfs/dbraw/zinc/21/70/96/333217096.db2.gz MENPDPJLFAAWRG-UHFFFAOYSA-N 1 1 255.283 3.464 20 30 CGEDMO CC#CC[N@@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000191237198 333217097 /nfs/dbraw/zinc/21/70/97/333217097.db2.gz MENPDPJLFAAWRG-UHFFFAOYSA-N 1 1 255.283 3.464 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](CNC(=O)CCC)C1 ZINC000193328166 333248103 /nfs/dbraw/zinc/24/81/03/333248103.db2.gz JLXHGHFLZNZAAL-INIZCTEOSA-N 1 1 280.456 3.361 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](O)COc1c(C)ccc(C)c1C ZINC000523006069 333304296 /nfs/dbraw/zinc/30/42/96/333304296.db2.gz QFCYEHQFCJZRQD-KRWDZBQOSA-N 1 1 291.435 3.250 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](CCCC(C)(C)C#N)CCCO1 ZINC000339824419 335148966 /nfs/dbraw/zinc/14/89/66/335148966.db2.gz GIUNTUQKUICYDG-AWEZNQCLSA-N 1 1 252.402 3.063 20 30 CGEDMO N#CCC1CC[NH+](Cc2nc(C3CC3)cs2)CC1 ZINC000541328621 333772259 /nfs/dbraw/zinc/77/22/59/333772259.db2.gz JQQAHCOSWRBNJZ-UHFFFAOYSA-N 1 1 261.394 3.146 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000174955335 335170092 /nfs/dbraw/zinc/17/00/92/335170092.db2.gz DRDHONBOXHXDRQ-KRWDZBQOSA-N 1 1 258.409 3.159 20 30 CGEDMO N#CCSCCC[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000074981031 334021504 /nfs/dbraw/zinc/02/15/04/334021504.db2.gz UXKLHFGEZOJZPJ-KBPBESRZSA-N 1 1 252.427 3.288 20 30 CGEDMO C[C@@H](C#N)C[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000134886385 334107005 /nfs/dbraw/zinc/10/70/05/334107005.db2.gz AVHDNXGEPZUFLH-QMMMGPOBSA-N 1 1 260.234 3.094 20 30 CGEDMO C=C(C)CN1CCC([NH2+]Cc2cnc(C3CC3)s2)CC1 ZINC000134295726 334087263 /nfs/dbraw/zinc/08/72/63/334087263.db2.gz PDDHRMDHBNMYQN-UHFFFAOYSA-N 1 1 291.464 3.151 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)C[C@H](O)Cc1ccc(F)cc1 ZINC000576244303 335177299 /nfs/dbraw/zinc/17/72/99/335177299.db2.gz NPAUKEMCGJDVIG-LJQANCHMSA-N 1 1 299.389 3.417 20 30 CGEDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCCSCC#N ZINC000080629332 334172772 /nfs/dbraw/zinc/17/27/72/334172772.db2.gz LMDNTSCASSPVHQ-MCIONIFRSA-N 1 1 252.427 3.286 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@]1(C)Cc1ccccc1 ZINC000549554962 334197737 /nfs/dbraw/zinc/19/77/37/334197737.db2.gz OGKASDMYEDYJHE-QGZVFWFLSA-N 1 1 259.393 3.286 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CC[C@@H](CC3CC3)C2)cc1 ZINC000550029143 334211794 /nfs/dbraw/zinc/21/17/94/334211794.db2.gz NZZOCEBASDNFLC-INIZCTEOSA-N 1 1 257.352 3.299 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000249032370 334325158 /nfs/dbraw/zinc/32/51/58/334325158.db2.gz SSOLIRRLSUVPKH-CHWSQXEVSA-N 1 1 281.346 3.081 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)C[C@@H](C)Cc1ccc(OC)cc1 ZINC000090619831 334365364 /nfs/dbraw/zinc/36/53/64/334365364.db2.gz ZNVBRONMWBCPKM-DOTOQJQBSA-N 1 1 291.435 3.133 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc2oc(C(=O)OC)cc2c1 ZINC000568180773 334801259 /nfs/dbraw/zinc/80/12/59/334801259.db2.gz BPYUYWNZPWNFQJ-ZDUSSCGKSA-N 1 1 286.331 3.001 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC/C=C/c1cncc(OC)c1 ZINC000576396711 335198303 /nfs/dbraw/zinc/19/83/03/335198303.db2.gz LWSPRJOARCVPCX-SOFGYWHQSA-N 1 1 260.381 3.392 20 30 CGEDMO N#Cc1cccc(C[NH2+]Cc2c[nH]c(-c3ccccc3)n2)c1 ZINC000175978076 335225581 /nfs/dbraw/zinc/22/55/81/335225581.db2.gz NMAOGSQOKXDTSP-UHFFFAOYSA-N 1 1 288.354 3.238 20 30 CGEDMO C[C@]1(c2ccccc2)CC[N@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000577127376 335305820 /nfs/dbraw/zinc/30/58/20/335305820.db2.gz GLVMJVCJPIHNGS-PVAVHDDUSA-N 1 1 254.377 3.342 20 30 CGEDMO CC(C)Cn1ccnc1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000181809977 335786291 /nfs/dbraw/zinc/78/62/91/335786291.db2.gz UENXNATYYKSSGQ-AWEZNQCLSA-N 1 1 282.391 3.262 20 30 CGEDMO C=CC[N@@H+](CCOC)[C@@H](C)c1cc(F)ccc1F ZINC000195002623 336042335 /nfs/dbraw/zinc/04/23/35/336042335.db2.gz PRZCHCOPUYEOQK-NSHDSACASA-N 1 1 255.308 3.160 20 30 CGEDMO C=CC[N@H+](CCOC)[C@@H](C)c1cc(F)ccc1F ZINC000195002623 336042336 /nfs/dbraw/zinc/04/23/36/336042336.db2.gz PRZCHCOPUYEOQK-NSHDSACASA-N 1 1 255.308 3.160 20 30 CGEDMO COc1ccc(C[C@@H](C)C[N@@H+](C)CC2(C#N)CC2)cc1 ZINC000347495718 533744781 /nfs/dbraw/zinc/74/47/81/533744781.db2.gz XSQXCQKOAWYAKO-CQSZACIVSA-N 1 1 272.392 3.109 20 30 CGEDMO C[C@@H]1Cc2ccccc2C[N@H+]1CCOc1ccccc1C#N ZINC000357807099 534074229 /nfs/dbraw/zinc/07/42/29/534074229.db2.gz NUUKSCQNSIDCPF-OAHLLOKOSA-N 1 1 292.382 3.384 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCc1cscn1 ZINC000425536650 534081368 /nfs/dbraw/zinc/08/13/68/534081368.db2.gz PCFOACMLYREJRD-LBPRGKRZSA-N 1 1 271.389 3.250 20 30 CGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC(C)(C)C[C@H]1C ZINC000412050757 534297620 /nfs/dbraw/zinc/29/76/20/534297620.db2.gz ZJPDCKNOSAKDBW-CHWSQXEVSA-N 1 1 285.391 3.006 20 30 CGEDMO C=CC[C@H](C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccccc1 ZINC000190184769 534328699 /nfs/dbraw/zinc/32/86/99/534328699.db2.gz SRHODFTZQZGBLH-ZVZYQTTQSA-N 1 1 298.430 3.088 20 30 CGEDMO C#CCCOc1ccc(C[N@H+](C)Cc2cccnc2)cc1 ZINC000183656254 518251528 /nfs/dbraw/zinc/25/15/28/518251528.db2.gz CDZFAXCQXNMMOA-UHFFFAOYSA-N 1 1 280.371 3.116 20 30 CGEDMO CC(C)C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000130267891 519410604 /nfs/dbraw/zinc/41/06/04/519410604.db2.gz CUORSTOTBUKQTM-MRXNPFEDSA-N 1 1 299.418 3.397 20 30 CGEDMO N#CC1(C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000347482269 534550193 /nfs/dbraw/zinc/55/01/93/534550193.db2.gz PCDXVRXGVNNXQS-ZDUSSCGKSA-N 1 1 260.768 3.433 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@H](CSC)C2)cc1C#N ZINC000292429401 524028772 /nfs/dbraw/zinc/02/87/72/524028772.db2.gz NLTGBNPFBDWVDI-AWEZNQCLSA-N 1 1 290.432 3.142 20 30 CGEDMO C[C@H](C[N@@H+](C)Cc1ccc(C#N)cc1F)c1nccs1 ZINC000183988490 524297062 /nfs/dbraw/zinc/29/70/62/524297062.db2.gz OWVKOMMYWDMUKZ-LLVKDONJSA-N 1 1 289.379 3.389 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCSC(C)(C)C1 ZINC000083415597 526042457 /nfs/dbraw/zinc/04/24/57/526042457.db2.gz ARPKZPKAFQLXEW-GFCCVEGCSA-N 1 1 260.406 3.447 20 30 CGEDMO C[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(C#N)s1 ZINC000183712963 526153678 /nfs/dbraw/zinc/15/36/78/526153678.db2.gz AJFZCEUNBALZIB-NSHDSACASA-N 1 1 257.362 3.208 20 30 CGEDMO C[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(C#N)s1 ZINC000183712963 526153687 /nfs/dbraw/zinc/15/36/87/526153687.db2.gz AJFZCEUNBALZIB-NSHDSACASA-N 1 1 257.362 3.208 20 30 CGEDMO C=CC[N@@H+](CCC(=O)OC(C)(C)C)CCc1ccco1 ZINC000352700931 526273912 /nfs/dbraw/zinc/27/39/12/526273912.db2.gz CIDUEJNNQLCKBD-UHFFFAOYSA-N 1 1 279.380 3.042 20 30 CGEDMO C=CC[N@@H+](CCOC(C)(C)C)CCc1ccco1 ZINC000352700051 526276910 /nfs/dbraw/zinc/27/69/10/526276910.db2.gz KVYVTFIPHDYYTK-UHFFFAOYSA-N 1 1 251.370 3.125 20 30 CGEDMO C=CC[N@@H+](Cc1oncc1C(=O)OC)CC1CCCCC1 ZINC000352016561 526384334 /nfs/dbraw/zinc/38/43/34/526384334.db2.gz YEFAMTHPBHFKRV-UHFFFAOYSA-N 1 1 292.379 3.030 20 30 CGEDMO C=CC[N@H+](Cc1oncc1C(=O)OC)CC1CCCCC1 ZINC000352016561 526384341 /nfs/dbraw/zinc/38/43/41/526384341.db2.gz YEFAMTHPBHFKRV-UHFFFAOYSA-N 1 1 292.379 3.030 20 30 CGEDMO C[N@H+](Cc1ccc(Cl)cc1)Cc1ccc(C#N)cn1 ZINC000515197859 536468360 /nfs/dbraw/zinc/46/83/60/536468360.db2.gz BCSNISCTLLNHOQ-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO C[N@@H+](Cc1ccc(Cl)cc1)Cc1ccc(C#N)cn1 ZINC000515197859 536468363 /nfs/dbraw/zinc/46/83/63/536468363.db2.gz BCSNISCTLLNHOQ-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO N#Cc1ccccc1C[NH+]1CCC(C(F)(F)F)CC1 ZINC000088420368 526735083 /nfs/dbraw/zinc/73/50/83/526735083.db2.gz HIICCUUJXUJYEE-UHFFFAOYSA-N 1 1 268.282 3.333 20 30 CGEDMO C#CCCOc1ccc(C[NH2+]Cc2nc(C)cs2)cc1 ZINC000113318742 526745536 /nfs/dbraw/zinc/74/55/36/526745536.db2.gz DRWVJVUWRZDMFV-UHFFFAOYSA-N 1 1 286.400 3.143 20 30 CGEDMO C=CCOCCC[N@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000347975495 526748121 /nfs/dbraw/zinc/74/81/21/526748121.db2.gz WDZUXCUJLCLVTA-UHFFFAOYSA-N 1 1 295.448 3.442 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC=C(C)CC2)cc1OC ZINC000353882861 526865505 /nfs/dbraw/zinc/86/55/05/526865505.db2.gz RJVVUOPHIZECJG-UHFFFAOYSA-N 1 1 273.376 3.412 20 30 CGEDMO C=CCOc1ccccc1C[N@H+](C[C@H](C)OC)C(C)C ZINC000353819731 526929371 /nfs/dbraw/zinc/92/93/71/526929371.db2.gz UOZQHSPULLGGFI-HNNXBMFYSA-N 1 1 277.408 3.497 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]Cc1ccc(F)cn1 ZINC000344937138 526950941 /nfs/dbraw/zinc/95/09/41/526950941.db2.gz ZCYYGCWAROQBNF-UHFFFAOYSA-N 1 1 272.323 3.075 20 30 CGEDMO C#CCOc1ccc(C[NH2+][C@H](C)c2nccs2)cc1 ZINC000113338874 527106563 /nfs/dbraw/zinc/10/65/63/527106563.db2.gz ISQXPUYMAPQDJT-GFCCVEGCSA-N 1 1 272.373 3.006 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+](C)C1CCC(CC)CC1 ZINC000353457009 527606586 /nfs/dbraw/zinc/60/65/86/527606586.db2.gz XYZUHKMQOMJLAN-UHFFFAOYSA-N 1 1 278.440 3.088 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)CC[C@H]1CCCCO1 ZINC000347429740 527716295 /nfs/dbraw/zinc/71/62/95/527716295.db2.gz CGEREWZFWPADMV-OAHLLOKOSA-N 1 1 252.402 3.207 20 30 CGEDMO CC[N@H+](CCc1cccs1)Cc1nc(C#N)cs1 ZINC000356051759 528598708 /nfs/dbraw/zinc/59/87/08/528598708.db2.gz HHRONWTUJNPOEQ-UHFFFAOYSA-N 1 1 277.418 3.141 20 30 CGEDMO CC[N@@H+](CCc1cccs1)Cc1nc(C#N)cs1 ZINC000356051759 528598722 /nfs/dbraw/zinc/59/87/22/528598722.db2.gz HHRONWTUJNPOEQ-UHFFFAOYSA-N 1 1 277.418 3.141 20 30 CGEDMO CC1(C)CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437886022 529010843 /nfs/dbraw/zinc/01/08/43/529010843.db2.gz BIQKKCSCZQWYOS-UHFFFAOYSA-N 1 1 280.318 3.392 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1[C@H](C)CCC1(C)C ZINC000452012605 536646446 /nfs/dbraw/zinc/64/64/46/536646446.db2.gz SALQCOJCNSYRQG-GFCCVEGCSA-N 1 1 258.365 3.330 20 30 CGEDMO CC(=[NH+]NCc1ccc(F)cc1F)c1ccc(N)cc1 ZINC000727060583 571710217 /nfs/dbraw/zinc/71/02/17/571710217.db2.gz RWCGWOYAIRBSBV-UHFFFAOYSA-N 1 1 275.302 3.061 20 30 CGEDMO CCCCCCC[N@H+]1CCCC[C@@H]1C1OCCO1 ZINC000740876001 572465005 /nfs/dbraw/zinc/46/50/05/572465005.db2.gz LYKALGQCAJVXSI-CQSZACIVSA-N 1 1 255.402 3.184 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](Cc2cc(Cl)ccc2OC)C1 ZINC000741255811 572490915 /nfs/dbraw/zinc/49/09/15/572490915.db2.gz LTBQUQKIACYYBX-CYBMUJFWSA-N 1 1 277.795 3.236 20 30 CGEDMO CC[N@H+]1CCC(N=Nc2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000741459571 572499764 /nfs/dbraw/zinc/49/97/64/572499764.db2.gz DINTUVNBDZQKKM-LBPRGKRZSA-N 1 1 290.367 3.033 20 30 CGEDMO CC#CC[N@@H+](C)Cc1ccccc1N1CCCCC1 ZINC000741774070 572525010 /nfs/dbraw/zinc/52/50/10/572525010.db2.gz QLXMPFOOJSFNIF-UHFFFAOYSA-N 1 1 256.393 3.132 20 30 CGEDMO C=CC[N@H+](CN1C(=O)C[C@@H]1c1ccc(Cl)cc1)C(C)C ZINC000743350030 572650156 /nfs/dbraw/zinc/65/01/56/572650156.db2.gz HVYLASWMXHYROP-OAHLLOKOSA-N 1 1 292.810 3.467 20 30 CGEDMO C=CC[N@@H+](CN1C(=O)C[C@@H]1c1ccc(Cl)cc1)C(C)C ZINC000743350030 572650159 /nfs/dbraw/zinc/65/01/59/572650159.db2.gz HVYLASWMXHYROP-OAHLLOKOSA-N 1 1 292.810 3.467 20 30 CGEDMO C=CC[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C(C)C ZINC000743841765 572687384 /nfs/dbraw/zinc/68/73/84/572687384.db2.gz VXRWMLWUKUVUIP-UHFFFAOYSA-N 1 1 282.347 3.005 20 30 CGEDMO C=CC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C(C)C ZINC000743841765 572687389 /nfs/dbraw/zinc/68/73/89/572687389.db2.gz VXRWMLWUKUVUIP-UHFFFAOYSA-N 1 1 282.347 3.005 20 30 CGEDMO CC(C)C[N@@H+](Cn1ccc(-c2ccc(C#N)cc2)n1)C1CC1 ZINC000744129217 572711014 /nfs/dbraw/zinc/71/10/14/572711014.db2.gz HEBPQVLVTJMCHC-UHFFFAOYSA-N 1 1 294.402 3.500 20 30 CGEDMO C#CC[N@H+](CC(=O)N[C@@H](C)CCCCC)C1CCCCC1 ZINC000744739119 572770084 /nfs/dbraw/zinc/77/00/84/572770084.db2.gz HKHARWQHNPQSPF-INIZCTEOSA-N 1 1 292.467 3.339 20 30 CGEDMO CC[N@@H+](CCCC(C)(C)C#N)CCc1ccccn1 ZINC000746663728 572889953 /nfs/dbraw/zinc/88/99/53/572889953.db2.gz VQVQGJGPLCOERU-UHFFFAOYSA-N 1 1 259.397 3.276 20 30 CGEDMO C=C(C)CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC12CC2 ZINC000969049608 613251268 /nfs/dbraw/zinc/25/12/68/613251268.db2.gz LTQYMYXQDOAUGF-HOTGVXAUSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)C2(C3CC3)CCC2)CC1 ZINC000981699633 613251382 /nfs/dbraw/zinc/25/13/82/613251382.db2.gz AEHCZLBAAUTWJE-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC23CC3)CC1 ZINC000948808810 613256241 /nfs/dbraw/zinc/25/62/41/613256241.db2.gz JQWNOSVZCFQCBK-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)c2ccco2)CC1 ZINC000948148934 613256388 /nfs/dbraw/zinc/25/63/88/613256388.db2.gz KUZFCMOKFUQEJQ-HNNXBMFYSA-N 1 1 290.407 3.172 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H](C)C2CC2)CC1 ZINC000948276776 613256428 /nfs/dbraw/zinc/25/64/28/613256428.db2.gz AHIHOEQLPUFZIG-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@H](C)C2CC2)CC1 ZINC000948276783 613256673 /nfs/dbraw/zinc/25/66/73/613256673.db2.gz AHIHOEQLPUFZIG-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)(C)C2CC2)C1 ZINC000967917342 613263594 /nfs/dbraw/zinc/26/35/94/613263594.db2.gz GSUFLOOKMLZKGT-ZBFHGGJFSA-N 1 1 292.467 3.215 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C(C)C)cc2)C[C@@H]1C ZINC000947968385 613267719 /nfs/dbraw/zinc/26/77/19/613267719.db2.gz YQFDVLSNEJEHGI-YJBOKZPZSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2(C)CC(=C)C2)[C@@H](C)C1 ZINC000942608204 613270439 /nfs/dbraw/zinc/27/04/39/613270439.db2.gz REXFASARCHJJBG-HOTGVXAUSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)C(C)(C)C2CC2)[C@@H](C)C1 ZINC000942570202 613270495 /nfs/dbraw/zinc/27/04/95/613270495.db2.gz VGSJEVNMWZUZOY-HOCLYGCPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2CC3(CC3)C2)C[C@H]1C ZINC000947701437 613270591 /nfs/dbraw/zinc/27/05/91/613270591.db2.gz BRPLOVMDUBQIKA-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C)o2)C[C@@H]1C ZINC000947025525 613271943 /nfs/dbraw/zinc/27/19/43/613271943.db2.gz FLFMMWZNDIQVIB-ZFWWWQNUSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)C1=CCCC1 ZINC000968809199 613306520 /nfs/dbraw/zinc/30/65/20/613306520.db2.gz GKJAUSUCJBPCSP-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)c1ccc(C)o1 ZINC000968735916 613306811 /nfs/dbraw/zinc/30/68/11/613306811.db2.gz VPHJQUAGRKHFGY-OAHLLOKOSA-N 1 1 290.407 3.139 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2CC(C)(C)C)CC1 ZINC000981196769 613310022 /nfs/dbraw/zinc/31/00/22/613310022.db2.gz VZKBNAQHGUDHKP-JKSUJKDBSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)[C@H]2CCCC3(CC3)C2)CC1 ZINC000981157195 613310547 /nfs/dbraw/zinc/31/05/47/613310547.db2.gz WBWSLXKHJVUJJE-INIZCTEOSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)[C@]2(C)CCC[C@@H]2CC)CC1 ZINC000981451433 613311595 /nfs/dbraw/zinc/31/15/95/613311595.db2.gz SRTBXRYNAYTPLN-FUHWJXTLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H](C)C2CCC2)CC1 ZINC000948541649 613314258 /nfs/dbraw/zinc/31/42/58/613314258.db2.gz HJVZTLVEPZYYRP-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(C)c2)C[C@@H]1C ZINC000947021409 613329625 /nfs/dbraw/zinc/32/96/25/613329625.db2.gz OBSAEQGJWIBATQ-DOTOQJQBSA-N 1 1 286.419 3.154 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC)o2)C[C@H]1C ZINC000947454582 613329691 /nfs/dbraw/zinc/32/96/91/613329691.db2.gz MJHOJEAQDJYVDL-ZIAGYGMSSA-N 1 1 290.407 3.001 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2C)[C@@H](C)C1 ZINC000941767099 613329760 /nfs/dbraw/zinc/32/97/60/613329760.db2.gz DSRJODKOHPKIJP-DOTOQJQBSA-N 1 1 286.419 3.011 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2occc2CC)C[C@@H]1C ZINC000947690176 613331730 /nfs/dbraw/zinc/33/17/30/613331730.db2.gz RPQONVHVMXTZAW-DZGCQCFKSA-N 1 1 290.407 3.001 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2occc2Cl)C[C@H]1C ZINC000947683400 613331857 /nfs/dbraw/zinc/33/18/57/613331857.db2.gz AHDBBYCENMGWTP-VXGBXAGGSA-N 1 1 296.798 3.092 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC=CCC2)C(C)(C)C1 ZINC000940556815 613335721 /nfs/dbraw/zinc/33/57/21/613335721.db2.gz FNRCMBZKSOGSNS-CVEARBPZSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)CC2=CCCCC2)C(C)(C)C1 ZINC000972967827 613337660 /nfs/dbraw/zinc/33/76/60/613337660.db2.gz KNRAUTHCYWZPNR-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)[C@H]2CCCC2(C)C)C(C)(C)C1 ZINC000974938854 613341959 /nfs/dbraw/zinc/34/19/59/613341959.db2.gz VMOISVWIMJZJOF-CABCVRRESA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)c2ccc(C)cc2)C(C)(C)C1 ZINC000977518164 613342202 /nfs/dbraw/zinc/34/22/02/613342202.db2.gz XWSAAOPHBDNZIQ-INIZCTEOSA-N 1 1 286.419 3.011 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)CC(C)(C)C)CC[C@@H]2C1 ZINC000946479984 613343344 /nfs/dbraw/zinc/34/33/44/613343344.db2.gz JIQXOKPTRQXFQT-IYBDPMFKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)C1=CCCC1 ZINC000968811975 613372794 /nfs/dbraw/zinc/37/27/94/613372794.db2.gz HJAOHSAOUHCFIH-HNNXBMFYSA-N 1 1 296.842 3.210 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)C1=CCCC1 ZINC000968811975 613372795 /nfs/dbraw/zinc/37/27/95/613372795.db2.gz HJAOHSAOUHCFIH-HNNXBMFYSA-N 1 1 296.842 3.210 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CCCCC2)[C@@H](C)C1 ZINC000941754739 613376274 /nfs/dbraw/zinc/37/62/74/613376274.db2.gz CNHODAKMPUGKLT-SWLSCSKDSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CCCCC2)[C@@H](C)C1 ZINC000941754739 613376275 /nfs/dbraw/zinc/37/62/75/613376275.db2.gz CNHODAKMPUGKLT-SWLSCSKDSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](CCCF)[C@H](C)C2)CC1 ZINC000947690163 613412809 /nfs/dbraw/zinc/41/28/09/613412809.db2.gz RIZMVWVKDUFHPD-ZBFHGGJFSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[N@@H+](CCCC2CCC2)CC1 ZINC000981754495 613430804 /nfs/dbraw/zinc/43/08/04/613430804.db2.gz GNXNRFWMQVIMNE-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)CC2(C)CCCCC2)CC1 ZINC000981595544 613492515 /nfs/dbraw/zinc/49/25/15/613492515.db2.gz PFJTUJSUMHDUBI-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H](C)C2CCC2)CC1 ZINC000948541680 613499875 /nfs/dbraw/zinc/49/98/75/613499875.db2.gz ICLOAYUKYDFWAV-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[NH+]1CCN(C(=O)c2cc3cccc(C)c3o2)CC1 ZINC000957805375 613510257 /nfs/dbraw/zinc/51/02/57/613510257.db2.gz SFSZSZRTQINTSC-UHFFFAOYSA-N 1 1 298.386 3.075 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C2(C)CC=CC2)C(C)(C)C1 ZINC000941001846 613519314 /nfs/dbraw/zinc/51/93/14/613519314.db2.gz AOHAPQSBTXYLSB-OAHLLOKOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2CCC)C(C)(C)C1 ZINC000941023059 613522333 /nfs/dbraw/zinc/52/23/33/613522333.db2.gz ZXQMVMPEPMXAPH-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C)s2)[C@H](C)C1 ZINC000941756258 613524004 /nfs/dbraw/zinc/52/40/04/613524004.db2.gz QFSTVGSARWQERT-TZMCWYRMSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2ccc(C)cc2)C1 ZINC000968578057 613529274 /nfs/dbraw/zinc/52/92/74/613529274.db2.gz BGAOGPIQPTYGEO-RDJZCZTQSA-N 1 1 286.419 3.011 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C2CC2)C(C)(C)C1 ZINC000940967954 613533278 /nfs/dbraw/zinc/53/32/78/613533278.db2.gz KUOJKRBNDHTUMT-HNNXBMFYSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)/C(C)=C\C)C2)C1 ZINC000961136499 613542769 /nfs/dbraw/zinc/54/27/69/613542769.db2.gz INCPMOMJBRXOON-WCLYRPPWSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H]2CCCCC2(C)C)C1 ZINC000980565993 613612758 /nfs/dbraw/zinc/61/27/58/613612758.db2.gz GVDFKVDMGWOMHH-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(C(C)C)s2)C1 ZINC000980506904 613620427 /nfs/dbraw/zinc/62/04/27/613620427.db2.gz HZPYPQVIQFTGCI-CYBMUJFWSA-N 1 1 292.448 3.204 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc3ccccc3c2)C1 ZINC000972791344 613621602 /nfs/dbraw/zinc/62/16/02/613621602.db2.gz LGRYPCXEUIOHGH-GOSISDBHSA-N 1 1 294.398 3.172 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)CC2CCCCCC2)C1 ZINC000972432660 613627115 /nfs/dbraw/zinc/62/71/15/613627115.db2.gz BYEUMAZEISIEFS-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@]2(C)CCC(C)=C(C)C2)C1 ZINC000980514014 613632275 /nfs/dbraw/zinc/63/22/75/613632275.db2.gz CDWRTTLAFPPJAC-WMZOPIPTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1 ZINC000972483364 613633890 /nfs/dbraw/zinc/63/38/90/613633890.db2.gz SKSJHWOEBVWIFT-MPGHIAIKSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)c2c(C)csc2Cl)C1 ZINC000980274006 613635075 /nfs/dbraw/zinc/63/50/75/613635075.db2.gz FZHLCMCBZNAYAK-NSHDSACASA-N 1 1 298.839 3.042 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)c2ccccc2C2CCC2)C1 ZINC000980287194 613638627 /nfs/dbraw/zinc/63/86/27/613638627.db2.gz WEXKGILXURREKH-INIZCTEOSA-N 1 1 298.430 3.286 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccoc1Cl ZINC000968832195 613684531 /nfs/dbraw/zinc/68/45/31/613684531.db2.gz UXCMRZFKVUVMCY-GFCCVEGCSA-N 1 1 296.798 3.093 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2csc(C)c2)CC1 ZINC000948857199 613702850 /nfs/dbraw/zinc/70/28/50/613702850.db2.gz VODNJSTVTQKIGU-OAHLLOKOSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2cscc2C)CC1 ZINC000948278272 613702946 /nfs/dbraw/zinc/70/29/46/613702946.db2.gz QIPDPRTVOPMCFO-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)CC2CC(C)(C)C2)C(C)(C)C1 ZINC000940974377 613741865 /nfs/dbraw/zinc/74/18/65/613741865.db2.gz AXSYBOJGFXWUNG-OAHLLOKOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@H](CC)CC2)[C@H](C)C1 ZINC000944230038 613745918 /nfs/dbraw/zinc/74/59/18/613745918.db2.gz YCOMAZYNZPAWMP-QBPKDAKJSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC)C[C@@H]1C ZINC000947667918 613754084 /nfs/dbraw/zinc/75/40/84/613754084.db2.gz UCVDRKSNKLWGQL-GOEBONIOSA-N 1 1 286.419 3.018 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2sc(C)cc2C)C[C@@H]1C ZINC000947352521 613763161 /nfs/dbraw/zinc/76/31/61/613763161.db2.gz MEGDEUGEEYKMFT-GXTWGEPZSA-N 1 1 292.448 3.134 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2csc(Cl)c2)C1 ZINC000968385740 613771321 /nfs/dbraw/zinc/77/13/21/613771321.db2.gz ARUOBELKUUJNTH-JQWIXIFHSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)C2CCC(C)(C)CC2)[C@@H](C)C1 ZINC000945338245 613780347 /nfs/dbraw/zinc/78/03/47/613780347.db2.gz ZEZPJEWOBFWJKK-HOCLYGCPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)C2CCCCCCC2)[C@@H](C)C1 ZINC000942431821 613780933 /nfs/dbraw/zinc/78/09/33/613780933.db2.gz NMMWPMIAVDAXDY-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)c2cc3ccccc3o2)[C@H](C)C1 ZINC000944633227 613789246 /nfs/dbraw/zinc/78/92/46/613789246.db2.gz DZJCAQRZOWZQGH-HIFRSBDPSA-N 1 1 298.386 3.059 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)c2ccc3occc3c2)C(C)(C)C1 ZINC000974613247 613829326 /nfs/dbraw/zinc/82/93/26/613829326.db2.gz PZBHXDGMENODOV-INIZCTEOSA-N 1 1 298.386 3.059 20 30 CGEDMO C=CC[N@H+](CCCCCCO)Cc1cccs1 ZINC000175739464 617666381 /nfs/dbraw/zinc/66/63/81/617666381.db2.gz JXNFNNBJJBOPIX-UHFFFAOYSA-N 1 1 253.411 3.289 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(Cc2ccccc2)no1 ZINC000899994635 620742676 /nfs/dbraw/zinc/74/26/76/620742676.db2.gz JYORSORGDPULJD-CYBMUJFWSA-N 1 1 257.337 3.017 20 30 CGEDMO C=C(C)c1cccc(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)c1 ZINC000890890087 617891899 /nfs/dbraw/zinc/89/18/99/617891899.db2.gz ISSHERNXBIQRNG-HNNXBMFYSA-N 1 1 295.386 3.426 20 30 CGEDMO CCCCCCCC[NH+]1CCN(CC2CC2)CC1 ZINC000121018258 617925840 /nfs/dbraw/zinc/92/58/40/617925840.db2.gz AYTVPHGTJYTIQW-UHFFFAOYSA-N 1 1 252.446 3.375 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC(C)(C)C)C1 ZINC001021524041 618020868 /nfs/dbraw/zinc/02/08/68/618020868.db2.gz VJOHPMUKGYWNFS-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000892068690 618516506 /nfs/dbraw/zinc/51/65/06/618516506.db2.gz BNVYFIRHYJPIQY-LSDHHAIUSA-N 1 1 285.403 3.298 20 30 CGEDMO C[C@@H]1CSCCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000934303269 618585138 /nfs/dbraw/zinc/58/51/38/618585138.db2.gz IWHMKMSMLSQQBX-CYBMUJFWSA-N 1 1 263.381 3.005 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000934470610 618627441 /nfs/dbraw/zinc/62/74/41/618627441.db2.gz OQGZWAFSNVEKRH-LSDHHAIUSA-N 1 1 272.392 3.281 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000934470610 618627444 /nfs/dbraw/zinc/62/74/44/618627444.db2.gz OQGZWAFSNVEKRH-LSDHHAIUSA-N 1 1 272.392 3.281 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000934835762 618701240 /nfs/dbraw/zinc/70/12/40/618701240.db2.gz WNUVYLFGKYEYSL-RBUKOAKNSA-N 1 1 298.430 3.239 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000934835838 618701325 /nfs/dbraw/zinc/70/13/25/618701325.db2.gz XEIWVYRTKDFBJS-GJZGRUSLSA-N 1 1 264.413 3.065 20 30 CGEDMO CC([NH2+]Nc1ccnc(Br)c1)=C1CC1(F)F ZINC000841630941 618701433 /nfs/dbraw/zinc/70/14/33/618701433.db2.gz AJSUZCUWPPRWNM-MRVPVSSYSA-N 1 1 290.111 3.287 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000934874961 618707703 /nfs/dbraw/zinc/70/77/03/618707703.db2.gz CPWJXWKSHOTXML-XJKSGUPXSA-N 1 1 287.407 3.324 20 30 CGEDMO CC[C@H](C)[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000179324602 618775844 /nfs/dbraw/zinc/77/58/44/618775844.db2.gz WWGBHKSLSNEMLK-AWEZNQCLSA-N 1 1 259.397 3.267 20 30 CGEDMO CCCCCCCC(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000177054080 618781516 /nfs/dbraw/zinc/78/15/16/618781516.db2.gz NVYUSLYKMBHSRU-ZIAGYGMSSA-N 1 1 266.429 3.088 20 30 CGEDMO CCCCCCCC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000177054066 618781975 /nfs/dbraw/zinc/78/19/75/618781975.db2.gz NVYUSLYKMBHSRU-KBPBESRZSA-N 1 1 266.429 3.088 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001007398219 618888219 /nfs/dbraw/zinc/88/82/19/618888219.db2.gz YXPFCYWDVXLWPG-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C#CC[C@H]([NH2+]Cc1nccn1C1CC1)c1ccccc1 ZINC000893237723 619038853 /nfs/dbraw/zinc/03/88/53/619038853.db2.gz KSVJPVVHUMBUHR-INIZCTEOSA-N 1 1 265.360 3.072 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CCC[N@@H+](C/C=C/Cl)C2)CC1 ZINC001008416909 619093884 /nfs/dbraw/zinc/09/38/84/619093884.db2.gz JMPQVWQWJZINLQ-RUFWOKOUSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CCC[N@H+](C/C=C/Cl)C2)CC1 ZINC001008416909 619093888 /nfs/dbraw/zinc/09/38/88/619093888.db2.gz JMPQVWQWJZINLQ-RUFWOKOUSA-N 1 1 296.842 3.066 20 30 CGEDMO CCOCCC[N@H+]1CCC(=NOC2CCCCC2)[C@@H](C)C1 ZINC000777456462 619154345 /nfs/dbraw/zinc/15/43/45/619154345.db2.gz AEFLDJOVNIWBPI-HNNXBMFYSA-N 1 1 296.455 3.460 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)cs1 ZINC000893699602 619287908 /nfs/dbraw/zinc/28/79/08/619287908.db2.gz AVVKEKVQYSMTLQ-CQSZACIVSA-N 1 1 276.405 3.011 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)cs1 ZINC000893699602 619287912 /nfs/dbraw/zinc/28/79/12/619287912.db2.gz AVVKEKVQYSMTLQ-CQSZACIVSA-N 1 1 276.405 3.011 20 30 CGEDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1csc(C#N)c1 ZINC000894143110 619391950 /nfs/dbraw/zinc/39/19/50/619391950.db2.gz SCSRMJLFCBUFDM-KCJUWKMLSA-N 1 1 274.311 3.392 20 30 CGEDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1csc(C#N)c1 ZINC000894143110 619391952 /nfs/dbraw/zinc/39/19/52/619391952.db2.gz SCSRMJLFCBUFDM-KCJUWKMLSA-N 1 1 274.311 3.392 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000894415774 619528665 /nfs/dbraw/zinc/52/86/65/619528665.db2.gz NZQKQJXCSXVOBX-LLVKDONJSA-N 1 1 292.370 3.043 20 30 CGEDMO Cc1ncoc1C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000895055780 619703418 /nfs/dbraw/zinc/70/34/18/619703418.db2.gz XGYDVIAXNLIKTR-GFCCVEGCSA-N 1 1 255.321 3.048 20 30 CGEDMO Cc1ncoc1C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000895055780 619703423 /nfs/dbraw/zinc/70/34/23/619703423.db2.gz XGYDVIAXNLIKTR-GFCCVEGCSA-N 1 1 255.321 3.048 20 30 CGEDMO Cc1cc(C[N@@H+]2CCc3nc[nH]c3C23CCC3)ccc1C#N ZINC000895068538 619709147 /nfs/dbraw/zinc/70/91/47/619709147.db2.gz DZYKNGSYPDISMO-UHFFFAOYSA-N 1 1 292.386 3.027 20 30 CGEDMO Cc1cc(C[N@H+]2CCc3nc[nH]c3C23CCC3)ccc1C#N ZINC000895068538 619709151 /nfs/dbraw/zinc/70/91/51/619709151.db2.gz DZYKNGSYPDISMO-UHFFFAOYSA-N 1 1 292.386 3.027 20 30 CGEDMO C#CCCCCCC[N@H+]1CCn2cnc(C(F)(F)F)c2C1 ZINC000895559472 619850115 /nfs/dbraw/zinc/85/01/15/619850115.db2.gz LDTGBAORKXWHPW-UHFFFAOYSA-N 1 1 299.340 3.301 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(CC(C)C)nc2)C1 ZINC000895562940 619850794 /nfs/dbraw/zinc/85/07/94/619850794.db2.gz OHKXIMNWCNTJKA-OAHLLOKOSA-N 1 1 256.393 3.125 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@](O)(c3ccccc3)C2)cs1 ZINC000895587421 619855345 /nfs/dbraw/zinc/85/53/45/619855345.db2.gz SKJGZZBCNYSZHC-QGZVFWFLSA-N 1 1 298.411 3.103 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895846609 619896022 /nfs/dbraw/zinc/89/60/22/619896022.db2.gz REGLVYVUOUPHIS-AEFFLSMTSA-N 1 1 287.403 3.252 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)CCC2CCCC2)CC1 ZINC000985229226 620140688 /nfs/dbraw/zinc/14/06/88/620140688.db2.gz QAAKTNSMYULXBE-UHFFFAOYSA-N 1 1 292.467 3.456 20 30 CGEDMO CCCCCCCCC(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000121607954 620215342 /nfs/dbraw/zinc/21/53/42/620215342.db2.gz OHYXQERQIQNYKL-HNNXBMFYSA-N 1 1 268.445 3.195 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCCC2(C)C)CC1 ZINC000985585574 620216272 /nfs/dbraw/zinc/21/62/72/620216272.db2.gz PECVXTYMOCWGQY-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)C2CC3(CCC3)C2)CC1 ZINC000985598875 620219882 /nfs/dbraw/zinc/21/98/82/620219882.db2.gz SGIVAHPRMBEVAJ-UHFFFAOYSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2C[C@@]2(C)C(C)C)CC1 ZINC000985724040 620232029 /nfs/dbraw/zinc/23/20/29/620232029.db2.gz BQLTTXNINHJSIQ-AEFFLSMTSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)[C@@H](C=C)c2ccccc2)CC1 ZINC000985800627 620240075 /nfs/dbraw/zinc/24/00/75/620240075.db2.gz XDXQBIFXDSVUDB-SFHVURJKSA-N 1 1 298.430 3.065 20 30 CGEDMO CCOC(=O)CC(C)(C)C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000897624756 620412937 /nfs/dbraw/zinc/41/29/37/620412937.db2.gz WVSAALRJNIBNBA-UHFFFAOYSA-N 1 1 294.420 3.031 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)c2sccc2CC)CC1 ZINC000989724414 620521906 /nfs/dbraw/zinc/52/19/06/620521906.db2.gz BMFRCCBAXRJVEW-UHFFFAOYSA-N 1 1 292.448 3.035 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)[C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000989754721 620524199 /nfs/dbraw/zinc/52/41/99/620524199.db2.gz YKGFFGLEFHPHJK-FVQHAEBGSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)c2coc3ccccc23)CC1 ZINC000989791685 620524687 /nfs/dbraw/zinc/52/46/87/620524687.db2.gz UFJBPDKLNDVVNA-UHFFFAOYSA-N 1 1 298.386 3.157 20 30 CGEDMO C=CCC[N@H+]1CCCN(C(=O)c2coc3ccccc23)CC1 ZINC000989792705 620524715 /nfs/dbraw/zinc/52/47/15/620524715.db2.gz AAYJLHSMMCLQNL-UHFFFAOYSA-N 1 1 298.386 3.157 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)C=C3CCC3)CCC[C@@H]12 ZINC000990194112 620538416 /nfs/dbraw/zinc/53/84/16/620538416.db2.gz PHQBBHUJRAAOEG-SJLPKXTDSA-N 1 1 288.435 3.176 20 30 CGEDMO CS[C@H]1CCCC(=[NH+]n2cc(Br)cn2)C1 ZINC000901204674 620841899 /nfs/dbraw/zinc/84/18/99/620841899.db2.gz APZZQGDDBITUCH-JTQLQIEISA-N 1 1 288.214 3.155 20 30 CGEDMO CC[C@H]([NH2+]Cc1cc(C)no1)c1cccc(C#N)c1 ZINC000902794724 621451748 /nfs/dbraw/zinc/45/17/48/621451748.db2.gz YMJVVJSTQPKPBR-HNNXBMFYSA-N 1 1 255.321 3.096 20 30 CGEDMO CC[C@@H]([NH2+][C@H](C)Cc1cc(C)[nH]n1)c1cccc(C#N)c1 ZINC000902880129 621482186 /nfs/dbraw/zinc/48/21/86/621482186.db2.gz DAALZYSQDZMQAN-SJKOYZFVSA-N 1 1 282.391 3.262 20 30 CGEDMO CC[C@@H]([NH2+]Cc1ccn(CC)n1)c1cccc(C#N)c1 ZINC000903018722 621520505 /nfs/dbraw/zinc/52/05/05/621520505.db2.gz GNACUJKALJBIDI-MRXNPFEDSA-N 1 1 268.364 3.016 20 30 CGEDMO CC[C@H]([NH2+]Cc1nnc(C(C)C)[nH]1)c1cccc(C#N)c1 ZINC000903004605 621529357 /nfs/dbraw/zinc/52/93/57/621529357.db2.gz GCOZCWNYAIIAMY-AWEZNQCLSA-N 1 1 283.379 3.041 20 30 CGEDMO CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1cccc(C#N)c1 ZINC000903011161 621532906 /nfs/dbraw/zinc/53/29/06/621532906.db2.gz WCDVXPBEFBMRJR-FBVQUNGASA-N 1 1 283.419 3.224 20 30 CGEDMO CC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(C#N)c1 ZINC000903011161 621532908 /nfs/dbraw/zinc/53/29/08/621532908.db2.gz WCDVXPBEFBMRJR-FBVQUNGASA-N 1 1 283.419 3.224 20 30 CGEDMO CC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C#N)c1 ZINC000903011161 621532910 /nfs/dbraw/zinc/53/29/10/621532910.db2.gz WCDVXPBEFBMRJR-FBVQUNGASA-N 1 1 283.419 3.224 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(Cc2ccccc2OC)no1 ZINC000904514105 621928299 /nfs/dbraw/zinc/92/82/99/621928299.db2.gz LSWWGBMRGFNNPU-CYBMUJFWSA-N 1 1 287.363 3.025 20 30 CGEDMO C=CCc1cc(C[N@H+]2CCS[C@H](C)C2)c(O)c(OC)c1 ZINC000164295598 622827070 /nfs/dbraw/zinc/82/70/70/622827070.db2.gz SYTHROFOLCINTP-GFCCVEGCSA-N 1 1 293.432 3.067 20 30 CGEDMO COc1cc(C)cc(C[N@@H+](CCC#N)CC(C)(C)C)c1O ZINC000164299553 622827333 /nfs/dbraw/zinc/82/73/33/622827333.db2.gz XSPULEMMRKXDAD-UHFFFAOYSA-N 1 1 290.407 3.471 20 30 CGEDMO CC[N@H+](C[C@@H](C)C#N)Cn1cnc2cc(C)c(C)cc21 ZINC000171065686 623130693 /nfs/dbraw/zinc/13/06/93/623130693.db2.gz QUAMDRPTKNVHQC-LBPRGKRZSA-N 1 1 270.380 3.092 20 30 CGEDMO CC[N@@H+](C[C@@H](C)C#N)Cn1cnc2cc(C)c(C)cc21 ZINC000171065686 623130705 /nfs/dbraw/zinc/13/07/05/623130705.db2.gz QUAMDRPTKNVHQC-LBPRGKRZSA-N 1 1 270.380 3.092 20 30 CGEDMO CCCCC(N)=[NH+]OCc1coc(-c2ccc(F)cc2)n1 ZINC000063460054 623327827 /nfs/dbraw/zinc/32/78/27/623327827.db2.gz SLAFUXDRRQFGMZ-UHFFFAOYSA-N 1 1 291.326 3.460 20 30 CGEDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cncc(C#N)c1 ZINC000929717862 623525474 /nfs/dbraw/zinc/52/54/74/623525474.db2.gz JWVUGHXEMCQPNI-KCXAZCMYSA-N 1 1 255.365 3.106 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3ccc(C)cc3C)CCC[C@@H]12 ZINC000992486518 623595811 /nfs/dbraw/zinc/59/58/11/623595811.db2.gz HEMBXLQWQCEKJL-IEBWSBKVSA-N 1 1 298.430 3.216 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2CCC3(CC3)CC2)C1 ZINC001015304212 623693683 /nfs/dbraw/zinc/69/36/83/623693683.db2.gz DJOYTVJEDAPCPG-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCC[C@H]3COCC[C@H]32)CCC1 ZINC000929826458 623796196 /nfs/dbraw/zinc/79/61/96/623796196.db2.gz PMIXKAZYQNLJEB-JKSUJKDBSA-N 1 1 276.424 3.351 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cl)o2)[C@H]1C ZINC000993036726 623800350 /nfs/dbraw/zinc/80/03/50/623800350.db2.gz LTYRHVVYXZASRE-NEPJUHHUSA-N 1 1 296.798 3.092 20 30 CGEDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CC1CCC(C#N)CC1 ZINC000929834967 623818803 /nfs/dbraw/zinc/81/88/03/623818803.db2.gz OILRMQBRNYBOKS-DQPZFDDXSA-N 1 1 286.423 3.195 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)CC2=CCCCC2)[C@@H]1C ZINC000993143432 623867869 /nfs/dbraw/zinc/86/78/69/623867869.db2.gz SGGVHEOWKNSADQ-GOEBONIOSA-N 1 1 276.424 3.032 20 30 CGEDMO C#CC[NH+](Cc1cccc(OC)c1)Cc1cccc(OC)c1 ZINC000914867359 623871548 /nfs/dbraw/zinc/87/15/48/623871548.db2.gz ULZFWUJLHNKORY-UHFFFAOYSA-N 1 1 295.382 3.339 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccoc2CC)[C@@H]1C ZINC000993271839 623997679 /nfs/dbraw/zinc/99/76/79/623997679.db2.gz XNPHIFGNHPQZMJ-ZFWWWQNUSA-N 1 1 290.407 3.001 20 30 CGEDMO CC[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)CC(C)C ZINC000153689564 624022313 /nfs/dbraw/zinc/02/23/13/624022313.db2.gz VJHWGIVUDQIANP-CQSZACIVSA-N 1 1 260.381 3.455 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CCC[N@H+](CC(C)C)[C@@H]2C)CC1 ZINC000993746175 624060359 /nfs/dbraw/zinc/06/03/59/624060359.db2.gz AHMKVOYIWIAYGW-WBVHZDCISA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)[C@H]1C ZINC000994247809 624122115 /nfs/dbraw/zinc/12/21/15/624122115.db2.gz GSXXXOHDSGEJOB-VQHPVUNQSA-N 1 1 292.467 3.358 20 30 CGEDMO C#CC[NH2+]CC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000916573733 624180388 /nfs/dbraw/zinc/18/03/88/624180388.db2.gz YYIDFAGPQWQDKS-UHFFFAOYSA-N 1 1 272.392 3.095 20 30 CGEDMO C=CC[N@H+](Cc1nc(-c2ccccc2C)no1)C(C)C ZINC000917071851 624233675 /nfs/dbraw/zinc/23/36/75/624233675.db2.gz ZPFKPWGMMCSVPD-UHFFFAOYSA-N 1 1 271.364 3.441 20 30 CGEDMO C=CC[N@@H+](Cc1nc(-c2ccccc2C)no1)C(C)C ZINC000917071851 624233684 /nfs/dbraw/zinc/23/36/84/624233684.db2.gz ZPFKPWGMMCSVPD-UHFFFAOYSA-N 1 1 271.364 3.441 20 30 CGEDMO C=CC[N@H+](Cc1nc(-c2ccc(F)cc2)no1)C(C)C ZINC000917071125 624233821 /nfs/dbraw/zinc/23/38/21/624233821.db2.gz NUGYFOSRYBLSDZ-UHFFFAOYSA-N 1 1 275.327 3.272 20 30 CGEDMO C=CC[N@@H+](Cc1nc(-c2ccc(F)cc2)no1)C(C)C ZINC000917071125 624233829 /nfs/dbraw/zinc/23/38/29/624233829.db2.gz NUGYFOSRYBLSDZ-UHFFFAOYSA-N 1 1 275.327 3.272 20 30 CGEDMO C=CC[N@H+](Cc1nc(-c2ccsc2)no1)C(C)C ZINC000917070334 624234189 /nfs/dbraw/zinc/23/41/89/624234189.db2.gz ACSZNJHAUYIMIM-UHFFFAOYSA-N 1 1 263.366 3.195 20 30 CGEDMO C=CC[N@@H+](Cc1nc(-c2ccsc2)no1)C(C)C ZINC000917070334 624234193 /nfs/dbraw/zinc/23/41/93/624234193.db2.gz ACSZNJHAUYIMIM-UHFFFAOYSA-N 1 1 263.366 3.195 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccoc2C(C)C)[C@@H]1C ZINC000994487825 624241724 /nfs/dbraw/zinc/24/17/24/624241724.db2.gz PNMUFWYAEOJJSE-DZGCQCFKSA-N 1 1 290.407 3.172 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C3CC3)c2)[C@H]1C ZINC000994499090 624243977 /nfs/dbraw/zinc/24/39/77/624243977.db2.gz WADDEYOZQCPJFK-KDOFPFPSSA-N 1 1 298.430 3.333 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1cc(Cl)ccc1C)C(C)C ZINC000917166723 624248823 /nfs/dbraw/zinc/24/88/23/624248823.db2.gz CCWQDFPTVXAVCF-UHFFFAOYSA-N 1 1 280.799 3.483 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C)C(C)C ZINC000917166723 624248830 /nfs/dbraw/zinc/24/88/30/624248830.db2.gz CCWQDFPTVXAVCF-UHFFFAOYSA-N 1 1 280.799 3.483 20 30 CGEDMO CCCCCCCCC[N@@H+](C)[C@H](C)C(=O)N(C)C ZINC000918778193 624374622 /nfs/dbraw/zinc/37/46/22/624374622.db2.gz FOQHOMLVXOMWCW-CQSZACIVSA-N 1 1 256.434 3.146 20 30 CGEDMO C=CCN(C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)C(C)C ZINC000919796091 624424777 /nfs/dbraw/zinc/42/47/77/624424777.db2.gz FDEYQWDDNNFYMH-OAHLLOKOSA-N 1 1 295.471 3.103 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)Cc1c(O)ccc2ccncc21 ZINC000919944229 624434427 /nfs/dbraw/zinc/43/44/27/624434427.db2.gz AFRNLIXNSNNALG-UHFFFAOYSA-N 1 1 283.375 3.312 20 30 CGEDMO COc1ccc2c(c1)CC[N@H+](CC1CCC(C#N)CC1)CC2 ZINC000930114609 624444128 /nfs/dbraw/zinc/44/41/28/624444128.db2.gz NRYHDIQZXMULFV-UHFFFAOYSA-N 1 1 298.430 3.426 20 30 CGEDMO C#CC[N@@H+](Cc1cn(C)nc1CC)[C@H]1CCc2ccccc21 ZINC000183387830 625069442 /nfs/dbraw/zinc/06/94/42/625069442.db2.gz PELRSMHESCEFGS-IBGZPJMESA-N 1 1 293.414 3.105 20 30 CGEDMO C#CC[N@H+](Cc1cn(C)nc1CC)[C@H]1CCc2ccccc21 ZINC000183387830 625069451 /nfs/dbraw/zinc/06/94/51/625069451.db2.gz PELRSMHESCEFGS-IBGZPJMESA-N 1 1 293.414 3.105 20 30 CGEDMO Cc1noc(C)c1[C@H](C)[NH2+]Cc1csc(C#N)c1 ZINC000921741440 625859430 /nfs/dbraw/zinc/85/94/30/625859430.db2.gz HTUYBMGWCYARDO-QMMMGPOBSA-N 1 1 261.350 3.075 20 30 CGEDMO C[NH+](C)CC[C@H]([NH2+]Cc1csc(C#N)c1)C(C)(C)C ZINC000921749780 625863460 /nfs/dbraw/zinc/86/34/60/625863460.db2.gz QDXZLXOSJWYKHB-AWEZNQCLSA-N 1 1 279.453 3.076 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)c2ccccc2)CC1 ZINC001000390947 625869920 /nfs/dbraw/zinc/86/99/20/625869920.db2.gz ZYUFMLQGBRRFBD-UHFFFAOYSA-N 1 1 284.403 3.015 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)C2CCCCCC2)CC1 ZINC001000495745 625875104 /nfs/dbraw/zinc/87/51/04/625875104.db2.gz LRIJDZHPNDQDNR-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CCC[C@@H](C)C2)CC1 ZINC001003524457 625982719 /nfs/dbraw/zinc/98/27/19/625982719.db2.gz CCRMYAZHCBCLHX-OCCSQVGLSA-N 1 1 298.858 3.146 20 30 CGEDMO N#Cc1cc(CN[C@H]2CC[N@H+](C3CCCCC3)C2)cs1 ZINC000922248538 625989977 /nfs/dbraw/zinc/98/99/77/625989977.db2.gz DLVMLSKSFQSGSA-AWEZNQCLSA-N 1 1 289.448 3.116 20 30 CGEDMO Cc1ccc(C[NH2+]Cc2nc(C(C)C)c[nH]2)cc1C#N ZINC000922761653 626042650 /nfs/dbraw/zinc/04/26/50/626042650.db2.gz RNTFXRIKLBZOLY-UHFFFAOYSA-N 1 1 268.364 3.003 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H]2CC=CCC2)CC1 ZINC001005100375 626087964 /nfs/dbraw/zinc/08/79/64/626087964.db2.gz GKYDQNTUCWQNIL-CQSZACIVSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@@H](C)C2)CC1 ZINC001006083786 626154427 /nfs/dbraw/zinc/15/44/27/626154427.db2.gz SQFFYYWYBSOHMC-TZMCWYRMSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2CC[C@@H](C)C2)CC1 ZINC001006083785 626154581 /nfs/dbraw/zinc/15/45/81/626154581.db2.gz SQFFYYWYBSOHMC-OCCSQVGLSA-N 1 1 298.858 3.098 20 30 CGEDMO C#Cc1ccc(C[NH+]2CC(C)(CC(F)(F)F)C2)cc1 ZINC000839144126 626323683 /nfs/dbraw/zinc/32/36/83/626323683.db2.gz GFBYZVKBDVVBIH-UHFFFAOYSA-N 1 1 267.294 3.442 20 30 CGEDMO CN(C)c1ccc(C=[NH+]OCc2ccccc2)s1 ZINC000839421853 626347137 /nfs/dbraw/zinc/34/71/37/626347137.db2.gz PFOWZIXFZZJTQB-UHFFFAOYSA-N 1 1 260.362 3.365 20 30 CGEDMO C=C(Br)C[N@@H+](C)[C@@H]1C[C@](C)(OC)C1(C)C ZINC000752074520 626417789 /nfs/dbraw/zinc/41/77/89/626417789.db2.gz DZWXOYNKCWXYMI-PWSUYJOCSA-N 1 1 276.218 3.030 20 30 CGEDMO C=C(Br)C[N@H+](C)[C@@H]1C[C@](C)(OC)C1(C)C ZINC000752074520 626417791 /nfs/dbraw/zinc/41/77/91/626417791.db2.gz DZWXOYNKCWXYMI-PWSUYJOCSA-N 1 1 276.218 3.030 20 30 CGEDMO C[C@@H]1C[N@@H+](C)CC1N=Nc1cccc(C(F)(F)F)c1 ZINC000752158123 626420312 /nfs/dbraw/zinc/42/03/12/626420312.db2.gz VHWLUMRMERVUPS-SECBINFHSA-N 1 1 271.286 3.055 20 30 CGEDMO C[C@@H]1C[N@@H+](C)CC1N=Nc1cccc2ccccc21 ZINC000752164958 626420855 /nfs/dbraw/zinc/42/08/55/626420855.db2.gz NPGXQNGGDCXGNO-GFCCVEGCSA-N 1 1 253.349 3.189 20 30 CGEDMO CC(C)[C@@H]1CCCC1=[NH+]n1cc(Br)cn1 ZINC000752746360 626437158 /nfs/dbraw/zinc/43/71/58/626437158.db2.gz IYJJSJHNUJCMRV-JTQLQIEISA-N 1 1 270.174 3.306 20 30 CGEDMO C[C@@H]1C[N@@H+](C)CC1N=Nc1cc(C(F)(F)F)ccc1F ZINC000753938163 626469273 /nfs/dbraw/zinc/46/92/73/626469273.db2.gz IWNAUJSZVLZINZ-MRVPVSSYSA-N 1 1 289.276 3.194 20 30 CGEDMO CCCCCCCCNC(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000755075745 626599468 /nfs/dbraw/zinc/59/94/68/626599468.db2.gz PSEUBSDZHNSBSO-UHFFFAOYSA-N 1 1 297.487 3.473 20 30 CGEDMO CC(C)C[N@H+](CCC#N)CCCOc1ccc(F)cc1 ZINC000755670718 626636150 /nfs/dbraw/zinc/63/61/50/626636150.db2.gz QNJJYEYNBWZHAS-UHFFFAOYSA-N 1 1 278.371 3.466 20 30 CGEDMO C[C@@H]1CC(=NO[C@H]2CCCCO2)C[N@@H+]1Cc1ccccc1 ZINC000755822713 626651273 /nfs/dbraw/zinc/65/12/73/626651273.db2.gz IGPJBRIXVJPXNT-PBHICJAKSA-N 1 1 288.391 3.180 20 30 CGEDMO C[C@@H]1CC(=NO[C@H]2CCCCO2)C[N@H+]1Cc1ccccc1 ZINC000755822713 626651277 /nfs/dbraw/zinc/65/12/77/626651277.db2.gz IGPJBRIXVJPXNT-PBHICJAKSA-N 1 1 288.391 3.180 20 30 CGEDMO N#CC1(CC[N@@H+]2CCC[C@H]2c2ncc[nH]2)CCCCC1 ZINC000839534877 626758602 /nfs/dbraw/zinc/75/86/02/626758602.db2.gz FQAASRJJNIQIBR-AWEZNQCLSA-N 1 1 272.396 3.411 20 30 CGEDMO N#CC1(CC[N@H+]2CCC[C@H]2c2ncc[nH]2)CCCCC1 ZINC000839534877 626758603 /nfs/dbraw/zinc/75/86/03/626758603.db2.gz FQAASRJJNIQIBR-AWEZNQCLSA-N 1 1 272.396 3.411 20 30 CGEDMO C=C(Cl)CN[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000839555788 626759690 /nfs/dbraw/zinc/75/96/90/626759690.db2.gz LNQPNLSAMQAIPA-HALDLXJZSA-N 1 1 292.854 3.485 20 30 CGEDMO C#C[C@@H](C)N(C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000839583688 626763104 /nfs/dbraw/zinc/76/31/04/626763104.db2.gz LTSRWJIJZWRKJA-MRXNPFEDSA-N 1 1 270.420 3.126 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CC[C@@H](C3CCC3)C2)cc1 ZINC000839676421 626777040 /nfs/dbraw/zinc/77/70/40/626777040.db2.gz MBSRBPHTKOJRDB-MRXNPFEDSA-N 1 1 270.376 3.211 20 30 CGEDMO Cc1ccnc(N=NC2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000757584060 626790947 /nfs/dbraw/zinc/79/09/47/626790947.db2.gz KGBRTSWCSIFJDI-HNNXBMFYSA-N 1 1 294.402 3.452 20 30 CGEDMO CC(=[NH+]OCc1ccc(F)cc1)c1ccc(N)cc1 ZINC000758142150 626830154 /nfs/dbraw/zinc/83/01/54/626830154.db2.gz BTYHDFFCEZUZGE-UHFFFAOYSA-N 1 1 258.296 3.349 20 30 CGEDMO CCCCCCCCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000758402553 626842093 /nfs/dbraw/zinc/84/20/93/626842093.db2.gz JHEQGIXXBZWLTP-UHFFFAOYSA-N 1 1 291.439 3.239 20 30 CGEDMO CC[N@H+](CCc1ccccn1)Cc1cc(F)ccc1C#N ZINC000759330953 626888256 /nfs/dbraw/zinc/88/82/56/626888256.db2.gz VKEJIBVAAJNODQ-UHFFFAOYSA-N 1 1 283.350 3.157 20 30 CGEDMO CC[N@@H+](CCc1ccccn1)Cc1cc(F)ccc1C#N ZINC000759330953 626888257 /nfs/dbraw/zinc/88/82/57/626888257.db2.gz VKEJIBVAAJNODQ-UHFFFAOYSA-N 1 1 283.350 3.157 20 30 CGEDMO C#CCOc1ccc(C[NH2+]Cc2c(F)cccc2F)cc1 ZINC000761974885 627076484 /nfs/dbraw/zinc/07/64/84/627076484.db2.gz ZQVBJTMENOCGHA-UHFFFAOYSA-N 1 1 287.309 3.267 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000763434479 627158591 /nfs/dbraw/zinc/15/85/91/627158591.db2.gz OTTAEVQHHRZXEO-UHFFFAOYSA-N 1 1 297.786 3.271 20 30 CGEDMO C#CC[N@H+](Cc1ccc(F)cc1C(F)(F)F)C1CC1 ZINC000764675830 627217893 /nfs/dbraw/zinc/21/78/93/627217893.db2.gz BQDGFLCEKKFSPX-UHFFFAOYSA-N 1 1 271.257 3.442 20 30 CGEDMO C#CC[N@@H+](Cc1cccc(OCC)c1OCCC)C1CC1 ZINC000764684629 627218558 /nfs/dbraw/zinc/21/85/58/627218558.db2.gz ZYSIEUMNXYSRSU-UHFFFAOYSA-N 1 1 287.403 3.472 20 30 CGEDMO C#CC[N@H+](Cc1cccc(OCC)c1OCCC)C1CC1 ZINC000764684629 627218559 /nfs/dbraw/zinc/21/85/59/627218559.db2.gz ZYSIEUMNXYSRSU-UHFFFAOYSA-N 1 1 287.403 3.472 20 30 CGEDMO C#CCCC[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000766894600 627367571 /nfs/dbraw/zinc/36/75/71/627367571.db2.gz FJDHUKWCKBBQFZ-UHFFFAOYSA-N 1 1 299.201 3.277 20 30 CGEDMO C#CCCC[N@@H+]1C[C@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000766904130 627369077 /nfs/dbraw/zinc/36/90/77/627369077.db2.gz WUVFMFUHGZOBNM-SJLPKXTDSA-N 1 1 271.404 3.479 20 30 CGEDMO COCC#CC[N@H+]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000767878272 627441007 /nfs/dbraw/zinc/44/10/07/627441007.db2.gz YFBKNQYFGNJIOO-CQSZACIVSA-N 1 1 297.320 3.145 20 30 CGEDMO C#CCOc1ccc(C[N@@H+](C)Cc2ccccc2F)cc1 ZINC000768171904 627465661 /nfs/dbraw/zinc/46/56/61/627465661.db2.gz KHQKIHNGMDFGAS-UHFFFAOYSA-N 1 1 283.346 3.470 20 30 CGEDMO C#CCOc1ccc(C[N@H+](C)Cc2ccccc2F)cc1 ZINC000768171904 627465665 /nfs/dbraw/zinc/46/56/65/627465665.db2.gz KHQKIHNGMDFGAS-UHFFFAOYSA-N 1 1 283.346 3.470 20 30 CGEDMO C=CC[N@@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCO2)C(C)C ZINC000768548045 627485895 /nfs/dbraw/zinc/48/58/95/627485895.db2.gz VIDIUGSLIODBQC-UHFFFAOYSA-N 1 1 299.374 3.202 20 30 CGEDMO C=CC[N@H+](Cc1cccc(OCCCOC)c1)C(C)C ZINC000768550980 627486200 /nfs/dbraw/zinc/48/62/00/627486200.db2.gz NIUDPKCWVXDSPG-UHFFFAOYSA-N 1 1 277.408 3.498 20 30 CGEDMO C#CC[N@H+](CC)Cc1cc(C)ccc1OC(F)F ZINC000769110446 627523176 /nfs/dbraw/zinc/52/31/76/627523176.db2.gz GHOGPJBRUIWOQU-UHFFFAOYSA-N 1 1 253.292 3.052 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCc3ccsc3C2)cc1 ZINC000769435901 627552143 /nfs/dbraw/zinc/55/21/43/627552143.db2.gz UZZWJRDEBRSZDL-UHFFFAOYSA-N 1 1 283.396 3.318 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCSC(C)(C)C2)cc1 ZINC000769447732 627553916 /nfs/dbraw/zinc/55/39/16/627553916.db2.gz KDVDOFFXNFLGRB-UHFFFAOYSA-N 1 1 275.417 3.026 20 30 CGEDMO CO[C@@H](C)C[N@@H+](Cc1ccc(O[C@@H](C)C#N)cc1)C(C)C ZINC000769473957 627558106 /nfs/dbraw/zinc/55/81/06/627558106.db2.gz QOTBAARDQBKZHE-GJZGRUSLSA-N 1 1 290.407 3.223 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CC[C@@H](C3CC3)C2)cc1 ZINC000769513586 627561746 /nfs/dbraw/zinc/56/17/46/627561746.db2.gz CDOPVPLGJLCBAW-QGZVFWFLSA-N 1 1 269.388 3.321 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(F)cc(Br)c1 ZINC000769962146 627593015 /nfs/dbraw/zinc/59/30/15/627593015.db2.gz YNJHEPVCZNIKFF-SECBINFHSA-N 1 1 270.145 3.042 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1c(C)cc(C)c(C(C)=O)c1C ZINC000769961027 627593150 /nfs/dbraw/zinc/59/31/50/627593150.db2.gz MANGZXZXXROHPR-CYBMUJFWSA-N 1 1 257.377 3.268 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1cc(Cl)nc2ccccc12 ZINC000769961015 627593179 /nfs/dbraw/zinc/59/31/79/627593179.db2.gz LASWMZNXUQZVBZ-NSHDSACASA-N 1 1 258.752 3.342 20 30 CGEDMO CCCCCCCCC(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000771398203 627706698 /nfs/dbraw/zinc/70/66/98/627706698.db2.gz SFYQXRCXSPVOQJ-HUUCEWRRSA-N 1 1 268.445 3.288 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(F)cc1C(F)(F)F ZINC000775184043 628070815 /nfs/dbraw/zinc/07/08/15/628070815.db2.gz SYIXVSJGZYTCLR-SECBINFHSA-N 1 1 259.246 3.298 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1c(Cl)oc2ccccc21)[C@H]1CCCO1 ZINC000775343278 628084720 /nfs/dbraw/zinc/08/47/20/628084720.db2.gz VTVXWHRFWHGAJO-UKRRQHHQSA-N 1 1 289.762 3.357 20 30 CGEDMO C#C[C@H]([NH2+][C@H](C)c1ccc(F)cc1Cl)[C@@H]1CCCO1 ZINC000775574831 628110103 /nfs/dbraw/zinc/11/01/03/628110103.db2.gz SDBDDPKQMYDNBH-ONERCXAPSA-N 1 1 281.758 3.311 20 30 CGEDMO CCCCCCC[N@@H+]1C[C@@H](N2CCCC2)[C@@H](SC)C1 ZINC000776483088 628213575 /nfs/dbraw/zinc/21/35/75/628213575.db2.gz CDBXYXUQSUMRGV-CVEARBPZSA-N 1 1 284.513 3.468 20 30 CGEDMO CCCCCCCN1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000776483088 628213579 /nfs/dbraw/zinc/21/35/79/628213579.db2.gz CDBXYXUQSUMRGV-CVEARBPZSA-N 1 1 284.513 3.468 20 30 CGEDMO CC(C)[C@H](Cc1ccccc1)NN=C1CCC[N@@H+](C)CC1 ZINC000777449245 628272027 /nfs/dbraw/zinc/27/20/27/628272027.db2.gz UIFIIRLVHAPMMI-SFHVURJKSA-N 1 1 287.451 3.315 20 30 CGEDMO C=CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000778165928 628330140 /nfs/dbraw/zinc/33/01/40/628330140.db2.gz WJHOCWJUSWNZBH-CYBMUJFWSA-N 1 1 274.408 3.429 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000778165928 628330144 /nfs/dbraw/zinc/33/01/44/628330144.db2.gz WJHOCWJUSWNZBH-CYBMUJFWSA-N 1 1 274.408 3.429 20 30 CGEDMO CC(=NNc1cc[nH+]cc1)c1ccc(Br)s1 ZINC000779808055 628433382 /nfs/dbraw/zinc/43/33/82/628433382.db2.gz CEXSMAHDQPATQY-UHFFFAOYSA-N 1 1 296.193 3.164 20 30 CGEDMO CC(=NNc1cc[nH+]cc1)c1ccc(C(C)C)cc1 ZINC000779810863 628433923 /nfs/dbraw/zinc/43/39/23/628433923.db2.gz KLBKFEASKJSWIG-UHFFFAOYSA-N 1 1 253.349 3.463 20 30 CGEDMO Fc1cc(C=NNc2cc[nH+]cc2)cc(C(F)(F)F)c1 ZINC000779810101 628433996 /nfs/dbraw/zinc/43/39/96/628433996.db2.gz VAEBJXMIYKNJRG-UHFFFAOYSA-N 1 1 283.228 3.107 20 30 CGEDMO Cc1cc2c(cc1C)C(=NNc1cc[nH+]cc1)CCCO2 ZINC000779810467 628434072 /nfs/dbraw/zinc/43/40/72/628434072.db2.gz CGFUWIHCGVAZSE-UHFFFAOYSA-N 1 1 281.359 3.109 20 30 CGEDMO C=CC[N@H+](CN1C[C@](C)(C2CCCC2)CC1=O)C(C)C ZINC000780431506 628489161 /nfs/dbraw/zinc/48/91/61/628489161.db2.gz UYQUKVVSWNOOSO-QGZVFWFLSA-N 1 1 278.440 3.269 20 30 CGEDMO C=CC[N@@H+](CN1C[C@](C)(C2CCCC2)CC1=O)C(C)C ZINC000780431506 628489165 /nfs/dbraw/zinc/48/91/65/628489165.db2.gz UYQUKVVSWNOOSO-QGZVFWFLSA-N 1 1 278.440 3.269 20 30 CGEDMO C=C(Br)C[N@@H+]1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000782104884 628616248 /nfs/dbraw/zinc/61/62/48/628616248.db2.gz ADXADEHPNDIGRD-CMPLNLGQSA-N 1 1 258.203 3.407 20 30 CGEDMO CC(=[NH+]NCc1ccccc1)c1ccc(N)cc1Cl ZINC000782901500 628666169 /nfs/dbraw/zinc/66/61/69/628666169.db2.gz QSHFHRYFODZCLL-UHFFFAOYSA-N 1 1 273.767 3.436 20 30 CGEDMO Cc1ccncc1[C@H](C)[NH2+]Cc1ccc(F)cc1C#N ZINC000783002039 628671688 /nfs/dbraw/zinc/67/16/88/628671688.db2.gz OYFQXPLNDUKEFB-LBPRGKRZSA-N 1 1 269.323 3.252 20 30 CGEDMO Cc1ccc([C@H]([NH2+]Cc2ccc(C#N)cn2)C2CCC2)o1 ZINC000783295040 628700288 /nfs/dbraw/zinc/70/02/88/628700288.db2.gz XUPKWSKNOFYTAM-QGZVFWFLSA-N 1 1 281.359 3.486 20 30 CGEDMO CCOCOc1ccc(C[N@H+](C[C@@H](C)C#N)C2CC2)cc1 ZINC000783496161 628718423 /nfs/dbraw/zinc/71/84/23/628718423.db2.gz YAYLIYPUGIJEKT-AWEZNQCLSA-N 1 1 288.391 3.183 20 30 CGEDMO CCOCOc1ccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)cc1 ZINC000783496161 628718425 /nfs/dbraw/zinc/71/84/25/628718425.db2.gz YAYLIYPUGIJEKT-AWEZNQCLSA-N 1 1 288.391 3.183 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2)cc1 ZINC000805747248 628723386 /nfs/dbraw/zinc/72/33/86/628723386.db2.gz AKJHTPZRASBTKS-GOSISDBHSA-N 1 1 293.370 3.321 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000784522934 628819171 /nfs/dbraw/zinc/81/91/71/628819171.db2.gz JJPVLPODXLFSGU-SOUVJXGZSA-N 1 1 294.439 3.188 20 30 CGEDMO C=CC[N@H+](CN1C[C@H](CC(C)(C)C)OC1=O)C(C)C ZINC000785499499 628867765 /nfs/dbraw/zinc/86/77/65/628867765.db2.gz QGYAQXLQEMKENN-ZDUSSCGKSA-N 1 1 268.401 3.097 20 30 CGEDMO C=CC[N@@H+](CN1C[C@H](CC(C)(C)C)OC1=O)C(C)C ZINC000785499499 628867767 /nfs/dbraw/zinc/86/77/67/628867767.db2.gz QGYAQXLQEMKENN-ZDUSSCGKSA-N 1 1 268.401 3.097 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc(F)c(F)c1 ZINC000785997298 628906443 /nfs/dbraw/zinc/90/64/43/628906443.db2.gz KSTYKKBLUJSTMJ-IUODEOHRSA-N 1 1 267.319 3.039 20 30 CGEDMO C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000789452109 629134843 /nfs/dbraw/zinc/13/48/43/629134843.db2.gz PZZWXAJSXPUXAM-KFWWJZLASA-N 1 1 272.392 3.455 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@H]1C(=O)OCc1ccccc1 ZINC000791645966 629294125 /nfs/dbraw/zinc/29/41/25/629294125.db2.gz KMFXGBFUFMIQQX-INIZCTEOSA-N 1 1 273.376 3.160 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1C(=O)OCc1ccccc1 ZINC000791645966 629294128 /nfs/dbraw/zinc/29/41/28/629294128.db2.gz KMFXGBFUFMIQQX-INIZCTEOSA-N 1 1 273.376 3.160 20 30 CGEDMO CCCCCCCCC[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000792231134 629350478 /nfs/dbraw/zinc/35/04/78/629350478.db2.gz KZFRQJTUARCLAY-OAHLLOKOSA-N 1 1 289.485 3.104 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OC3CC3)c2)C1 ZINC000862401194 629363642 /nfs/dbraw/zinc/36/36/42/629363642.db2.gz AWWROWSPBDUIET-CQSZACIVSA-N 1 1 285.387 3.082 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(OC)c(OC)c2C)C1 ZINC000862441369 629374029 /nfs/dbraw/zinc/37/40/29/629374029.db2.gz QTRHHNJLKXYXFD-AWEZNQCLSA-N 1 1 275.392 3.410 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000862441835 629374044 /nfs/dbraw/zinc/37/40/44/629374044.db2.gz WVODNLFPKPRANV-MRXNPFEDSA-N 1 1 283.419 3.434 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(C)c(OC)c(C)c2)C1 ZINC000862442950 629375460 /nfs/dbraw/zinc/37/54/60/629375460.db2.gz JCVIQHYFBBIJHW-OAHLLOKOSA-N 1 1 257.377 3.157 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2c(C)nn(CCCC)c2Cl)C1 ZINC000862442733 629375688 /nfs/dbraw/zinc/37/56/88/629375688.db2.gz GSJBNOIBCSQAMP-AWEZNQCLSA-N 1 1 293.842 3.490 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(OC(F)F)c(OC)c2)C1 ZINC000862443356 629376001 /nfs/dbraw/zinc/37/60/01/629376001.db2.gz ONSGFPXILHJJEV-GFCCVEGCSA-N 1 1 295.329 3.142 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2nc3ccc(Cl)cc3n2C)C1 ZINC000862445501 629379992 /nfs/dbraw/zinc/37/99/92/629379992.db2.gz VITFHWSWLQRDPA-LBPRGKRZSA-N 1 1 287.794 3.072 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cccc(Br)c2F)C1 ZINC000862448422 629380839 /nfs/dbraw/zinc/38/08/39/629380839.db2.gz YOPIXYKCXJMMSM-NSHDSACASA-N 1 1 296.183 3.433 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CCC[C@@](O)(c3ccccc3)C2)c1 ZINC000862482566 629386028 /nfs/dbraw/zinc/38/60/28/629386028.db2.gz JVSDPZBPSYXRMY-KRWDZBQOSA-N 1 1 298.411 3.103 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC[C@H](c3ccc(O)cc3)C2)cc1 ZINC000862540666 629395911 /nfs/dbraw/zinc/39/59/11/629395911.db2.gz IZYVMPIEEAWRII-SFHVURJKSA-N 1 1 277.367 3.363 20 30 CGEDMO c1cnn(N=C2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]23)c1 ZINC000863163761 629486910 /nfs/dbraw/zinc/48/69/10/629486910.db2.gz OOLRGKYMFAJBAL-FUHWJXTLSA-N 1 1 294.402 3.162 20 30 CGEDMO CC#CC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000119484255 629592496 /nfs/dbraw/zinc/59/24/96/629592496.db2.gz GDQGNWUCBBYVFI-UHFFFAOYSA-N 1 1 255.317 3.011 20 30 CGEDMO CC#CC[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000119484255 629592505 /nfs/dbraw/zinc/59/25/05/629592505.db2.gz GDQGNWUCBBYVFI-UHFFFAOYSA-N 1 1 255.317 3.011 20 30 CGEDMO C#CCn1cc(-c2cccc(C[N@@H+]3CCC[C@H]3C)c2)cn1 ZINC000863690903 629646781 /nfs/dbraw/zinc/64/67/81/629646781.db2.gz ZIMWWKAJVSGJTJ-OAHLLOKOSA-N 1 1 279.387 3.168 20 30 CGEDMO C=CC[N@H+](CCC(=O)c1ccc(OC)cc1)C(C)C ZINC000795870229 629723119 /nfs/dbraw/zinc/72/31/19/629723119.db2.gz XSPVDBHVJHFANW-UHFFFAOYSA-N 1 1 261.365 3.164 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC000796042345 629739218 /nfs/dbraw/zinc/73/92/18/629739218.db2.gz XOAZDXMKTFUKQZ-KRWDZBQOSA-N 1 1 294.439 3.428 20 30 CGEDMO C#CC[N@@H+](CCOc1ccc(C#N)cc1)Cc1ccccc1 ZINC000796639464 629808903 /nfs/dbraw/zinc/80/89/03/629808903.db2.gz MQSPZVIZYROBGZ-UHFFFAOYSA-N 1 1 290.366 3.072 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1cccc(COC)c1 ZINC000796640552 629809097 /nfs/dbraw/zinc/80/90/97/629809097.db2.gz ZOJYZCDLPBNHIP-UHFFFAOYSA-N 1 1 279.383 3.468 20 30 CGEDMO Cc1cc(C[NH2+]Cc2cc(C#N)ccc2F)cc(Cl)n1 ZINC000797602276 629969219 /nfs/dbraw/zinc/96/92/19/629969219.db2.gz IYMYCHGQLDFNNY-UHFFFAOYSA-N 1 1 289.741 3.344 20 30 CGEDMO CCc1[nH+]c(C)cn1Cc1ccc(Cl)cc1C#N ZINC000865392884 630095532 /nfs/dbraw/zinc/09/55/32/630095532.db2.gz DRZAEVOUSKSOCA-UHFFFAOYSA-N 1 1 259.740 3.327 20 30 CGEDMO N#Cc1ccc(F)c(C[NH2+][C@@H](c2cncc(F)c2)C2CC2)c1 ZINC000798930353 630126776 /nfs/dbraw/zinc/12/67/76/630126776.db2.gz OIYLQFRJBUPZFL-QGZVFWFLSA-N 1 1 299.324 3.472 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3ccccn3)C2)s1 ZINC000798964871 630130739 /nfs/dbraw/zinc/13/07/39/630130739.db2.gz NJJOQGNOADTSNH-GFCCVEGCSA-N 1 1 269.373 3.004 20 30 CGEDMO N#C[C@H]1CC[C@@H]([NH2+]Cc2c(Cl)cncc2Cl)C1 ZINC000865609792 630218036 /nfs/dbraw/zinc/21/80/36/630218036.db2.gz SDUMHGNTYYBNCI-DTWKUNHWSA-N 1 1 270.163 3.170 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801550586 630343039 /nfs/dbraw/zinc/34/30/39/630343039.db2.gz BTWPGDNAKSGBET-LBPRGKRZSA-N 1 1 264.300 3.274 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801550586 630343040 /nfs/dbraw/zinc/34/30/40/630343040.db2.gz BTWPGDNAKSGBET-LBPRGKRZSA-N 1 1 264.300 3.274 20 30 CGEDMO C#CCC[N@H+](Cc1ccc(OC)cc1OC)CC1CCC1 ZINC000801583220 630345488 /nfs/dbraw/zinc/34/54/88/630345488.db2.gz RWTLQMDXMSXMLU-UHFFFAOYSA-N 1 1 287.403 3.329 20 30 CGEDMO C#CCC[N@H+](Cc1ccc(OC)cc1OC)[C@@H](C)C1CC1 ZINC000801589069 630346022 /nfs/dbraw/zinc/34/60/22/630346022.db2.gz ZCIKQRQHHQTIGB-AWEZNQCLSA-N 1 1 287.403 3.328 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+](Cc1ccco1)Cc1cccs1 ZINC000801910741 630363838 /nfs/dbraw/zinc/36/38/38/630363838.db2.gz WLMJAYQGZGPCEL-ZDUSSCGKSA-N 1 1 290.388 3.272 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+](Cc1ccco1)Cc1cccs1 ZINC000801910741 630363841 /nfs/dbraw/zinc/36/38/41/630363841.db2.gz WLMJAYQGZGPCEL-ZDUSSCGKSA-N 1 1 290.388 3.272 20 30 CGEDMO Cc1ccc([C@@H]2CCC[N@@H+]2CCO[C@H](C)C#N)cc1C ZINC000801915709 630365493 /nfs/dbraw/zinc/36/54/93/630365493.db2.gz MKGQDWWCWBEOAV-WBVHZDCISA-N 1 1 272.392 3.369 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+](C)CCc1cccc2ccccc21 ZINC000801916711 630365861 /nfs/dbraw/zinc/36/58/61/630365861.db2.gz CPYLUEYFZVVHMO-HNNXBMFYSA-N 1 1 282.387 3.243 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000801933926 630370328 /nfs/dbraw/zinc/37/03/28/630370328.db2.gz DVEOSFMISJDWOG-ZFWWWQNUSA-N 1 1 299.374 3.283 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000801933926 630370330 /nfs/dbraw/zinc/37/03/30/630370330.db2.gz DVEOSFMISJDWOG-ZFWWWQNUSA-N 1 1 299.374 3.283 20 30 CGEDMO Cc1ccc([C@H]2CC[N@H+](CCO[C@@H](C)C#N)C2)c(C)c1 ZINC000801952135 630372757 /nfs/dbraw/zinc/37/27/57/630372757.db2.gz OKKDCQJZCGURBN-HOTGVXAUSA-N 1 1 272.392 3.021 20 30 CGEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)O[C@H](C#N)C1CCCCC1 ZINC000803855590 630502955 /nfs/dbraw/zinc/50/29/55/630502955.db2.gz JGGONLZRHIGDSV-HZPDHXFCSA-N 1 1 292.423 3.267 20 30 CGEDMO C=CCCCCCCCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000807843273 630600261 /nfs/dbraw/zinc/60/02/61/630600261.db2.gz IAAUSERPVXUVTF-HNNXBMFYSA-N 1 1 266.429 3.114 20 30 CGEDMO CCC(CC)C[N@H+](CCC#N)CCC(=O)C(C)C ZINC000808732380 630673038 /nfs/dbraw/zinc/67/30/38/630673038.db2.gz FBGWWRYBQFOKKE-UHFFFAOYSA-N 1 1 252.402 3.253 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)CCC(=O)C(C)C ZINC000808732380 630673040 /nfs/dbraw/zinc/67/30/40/630673040.db2.gz FBGWWRYBQFOKKE-UHFFFAOYSA-N 1 1 252.402 3.253 20 30 CGEDMO CC[C@@H](c1cccc(OC)c1)[N@@H+](C)CCO[C@@H](C)C#N ZINC000808762136 630676511 /nfs/dbraw/zinc/67/65/11/630676511.db2.gz XGKHDHQUXABEMY-BBRMVZONSA-N 1 1 276.380 3.007 20 30 CGEDMO C#CC[NH+](CC#C)[C@H](C)c1ccc(Br)cc1 ZINC000809577980 630753126 /nfs/dbraw/zinc/75/31/26/630753126.db2.gz DROIJOIRWYEANN-GFCCVEGCSA-N 1 1 276.177 3.079 20 30 CGEDMO C#C[C@@H](C)[NH2+]Cc1c(Cl)cccc1N1CCCC1 ZINC000809683640 630778623 /nfs/dbraw/zinc/77/86/23/630778623.db2.gz IDJINORRPTWUBD-GFCCVEGCSA-N 1 1 262.784 3.052 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(COC)cc1 ZINC000809716057 630789328 /nfs/dbraw/zinc/78/93/28/630789328.db2.gz JYDVOHNUFIMXPE-UHFFFAOYSA-N 1 1 279.383 3.468 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(OC)c(OC)c1 ZINC000809717250 630789824 /nfs/dbraw/zinc/78/98/24/630789824.db2.gz YMJDYIKNGHUFFV-UHFFFAOYSA-N 1 1 295.382 3.339 20 30 CGEDMO CC(C)([NH2+]Cc1nc(C#N)cs1)c1ccc(F)cc1 ZINC000810142412 630844844 /nfs/dbraw/zinc/84/48/44/630844844.db2.gz ZJSAGISBIBVOQA-UHFFFAOYSA-N 1 1 275.352 3.179 20 30 CGEDMO C#CCOc1ccc([C@H](C)N[C@@H](C)C[N@H+](C)C(C)C)cc1 ZINC000810245087 630858600 /nfs/dbraw/zinc/85/86/00/630858600.db2.gz QFWDFOJQIDSZOL-HOTGVXAUSA-N 1 1 288.435 3.078 20 30 CGEDMO C#CCOc1ccc([C@H](C)N[C@@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000810245087 630858610 /nfs/dbraw/zinc/85/86/10/630858610.db2.gz QFWDFOJQIDSZOL-HOTGVXAUSA-N 1 1 288.435 3.078 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000811486499 631073190 /nfs/dbraw/zinc/07/31/90/631073190.db2.gz DVKNPXFYLLMKPX-AWEZNQCLSA-N 1 1 284.444 3.434 20 30 CGEDMO Cc1cccc(C(C)C)c1N=NC1C[N@@H+](C)C[C@@H]1C ZINC000812232642 631224844 /nfs/dbraw/zinc/22/48/44/631224844.db2.gz JLSVDYCCJJNFCL-ZDUSSCGKSA-N 1 1 259.397 3.468 20 30 CGEDMO C[C@H]1C(=NOC2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000812237048 631227292 /nfs/dbraw/zinc/22/72/92/631227292.db2.gz IEWOESFSKJGRIM-ZDUSSCGKSA-N 1 1 258.365 3.206 20 30 CGEDMO CC[C@H]1CC[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000814178739 631539754 /nfs/dbraw/zinc/53/97/54/631539754.db2.gz BKJXUOAMQIQJGR-HNNXBMFYSA-N 1 1 257.381 3.021 20 30 CGEDMO CC(=NNc1ccccc1F)c1ccc2c(c1)CC[NH2+]CC2 ZINC000814790737 631639855 /nfs/dbraw/zinc/63/98/55/631639855.db2.gz XXAMRHRUIQHLBZ-UHFFFAOYSA-N 1 1 297.377 3.350 20 30 CGEDMO CCC(=NNc1cc[nH+]cc1)c1ccccc1OC(F)F ZINC000814899559 631670485 /nfs/dbraw/zinc/67/04/85/631670485.db2.gz BKFDVERYIQIVMN-UHFFFAOYSA-N 1 1 291.301 3.331 20 30 CGEDMO CCc1nocc1C[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC000815172311 631736099 /nfs/dbraw/zinc/73/60/99/631736099.db2.gz LQRWSSYNUQVMDL-UHFFFAOYSA-N 1 1 299.374 3.010 20 30 CGEDMO C=C(C)COc1cc(C[N@H+]2C[C@@H](C)[C@@H]2C)ccc1OC ZINC000816648669 632034569 /nfs/dbraw/zinc/03/45/69/632034569.db2.gz NHYVJTJLOKIKPV-KGLIPLIRSA-N 1 1 275.392 3.490 20 30 CGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CC[C@H](C3CCCC3)C2)cc1 ZINC000817283369 632115410 /nfs/dbraw/zinc/11/54/10/632115410.db2.gz UBEUSHVXKOBRGZ-ROUUACIJSA-N 1 1 284.403 3.104 20 30 CGEDMO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H](CN)C2CC2)cc1 ZINC000817959488 632254739 /nfs/dbraw/zinc/25/47/39/632254739.db2.gz GQLYQNXMVQNJEY-BLLLJJGKSA-N 1 1 294.826 3.206 20 30 CGEDMO C[C@@H](c1cccnc1)[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879433661 635786591 /nfs/dbraw/zinc/78/65/91/635786591.db2.gz ADMWKINKQIMIDJ-AWEZNQCLSA-N 1 1 265.360 3.189 20 30 CGEDMO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000818346945 632312082 /nfs/dbraw/zinc/31/20/82/632312082.db2.gz LDBRFAJJWYVJOB-PGUXBMHVSA-N 1 1 281.783 3.287 20 30 CGEDMO CCCCCCCCC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000818621625 632343790 /nfs/dbraw/zinc/34/37/90/632343790.db2.gz ZKOZYVLUKQTWQU-GASCZTMLSA-N 1 1 268.445 3.288 20 30 CGEDMO CC(C)(C#N)C[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000819218816 632403561 /nfs/dbraw/zinc/40/35/61/632403561.db2.gz LKOMABPEBYJENX-GFCCVEGCSA-N 1 1 287.190 3.166 20 30 CGEDMO C[C@@H]1CCC[C@@H](c2noc([C@@H]([NH3+])CCCC#N)n2)C1 ZINC000822760879 633017925 /nfs/dbraw/zinc/01/79/25/633017925.db2.gz SPWBSJWATGNRNA-UTUOFQBUSA-N 1 1 262.357 3.057 20 30 CGEDMO C[C@@]1(C(F)(F)F)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000880004006 635896819 /nfs/dbraw/zinc/89/68/19/635896819.db2.gz PQEPTFQNJKEFOM-CQSZACIVSA-N 1 1 267.294 3.312 20 30 CGEDMO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1ccc[nH]1 ZINC000866313161 633077789 /nfs/dbraw/zinc/07/77/89/633077789.db2.gz XGJRIPMKYFUUOY-GHMZBOCLSA-N 1 1 255.321 3.004 20 30 CGEDMO COc1cnccc1[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866344973 633090739 /nfs/dbraw/zinc/09/07/39/633090739.db2.gz DINKFAYMXNYAJI-VXGBXAGGSA-N 1 1 297.358 3.079 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@](C)(O)c1ccccc1 ZINC000823605398 633126209 /nfs/dbraw/zinc/12/62/09/633126209.db2.gz JWMCZUKHIMUMTL-KXBFYZLASA-N 1 1 294.398 3.459 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CC(C)(C)C[C@H]1c1ccccc1 ZINC000823644182 633131280 /nfs/dbraw/zinc/13/12/80/633131280.db2.gz UERCQMLTEJBQCO-ZBFHGGJFSA-N 1 1 272.392 3.388 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC2(CCCC2)C1 ZINC000121086823 633166516 /nfs/dbraw/zinc/16/65/16/633166516.db2.gz YOZJQYIWNFGQDR-UHFFFAOYSA-N 1 1 270.376 3.333 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000866583131 633203005 /nfs/dbraw/zinc/20/30/05/633203005.db2.gz PAEFHBBVQWMTCJ-UHOFOFEASA-N 1 1 272.417 3.304 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1cc2ccccc2cc1OC ZINC000824297459 633227465 /nfs/dbraw/zinc/22/74/65/633227465.db2.gz SZHCOZZOTINTGT-ZDUSSCGKSA-N 1 1 253.345 3.302 20 30 CGEDMO C=C(C)CON=C(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000844618142 635942675 /nfs/dbraw/zinc/94/26/75/635942675.db2.gz JABSTPNXUOVBSJ-KRWDZBQOSA-N 1 1 272.392 3.477 20 30 CGEDMO COCc1csc(C[N@H+](CCC#N)CC(C)C)c1 ZINC000824503171 633250664 /nfs/dbraw/zinc/25/06/64/633250664.db2.gz PFALMARZNQIBJP-UHFFFAOYSA-N 1 1 266.410 3.266 20 30 CGEDMO COCc1csc(C[N@@H+](CCC#N)CC(C)C)c1 ZINC000824503171 633250671 /nfs/dbraw/zinc/25/06/71/633250671.db2.gz PFALMARZNQIBJP-UHFFFAOYSA-N 1 1 266.410 3.266 20 30 CGEDMO CCC[C@@H](C)[N@@H+](C)Cc1cc(C#N)cnc1Cl ZINC000876582486 634862670 /nfs/dbraw/zinc/86/26/70/634862670.db2.gz PESHLTUCZLYMOJ-SNVBAGLBSA-N 1 1 251.761 3.227 20 30 CGEDMO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@@H](CF)C2)c1 ZINC000880299859 635969861 /nfs/dbraw/zinc/96/98/61/635969861.db2.gz YONSLUALTNVXGU-NSHDSACASA-N 1 1 297.171 3.112 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2c(Cl)n(C)nc2CC)C1 ZINC000826946048 633445061 /nfs/dbraw/zinc/44/50/61/633445061.db2.gz DGAPXOBGLWXYCZ-LBPRGKRZSA-N 1 1 281.831 3.424 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2c(O)cccc2OC)C1 ZINC000826948503 633445778 /nfs/dbraw/zinc/44/57/78/633445778.db2.gz ZVJSPFPYEICXOF-CYBMUJFWSA-N 1 1 261.365 3.189 20 30 CGEDMO C#CC[N@H+](CCc1cccc(C)n1)Cc1ccc(F)cc1 ZINC000827815120 633521852 /nfs/dbraw/zinc/52/18/52/633521852.db2.gz NPLQETPJDBNDRW-UHFFFAOYSA-N 1 1 282.362 3.207 20 30 CGEDMO C#CCC[N@H+](CCOC)C[C@H](C)c1cc(F)cc(F)c1 ZINC000827826561 633522169 /nfs/dbraw/zinc/52/21/69/633522169.db2.gz IVOYHJONZILZRE-ZDUSSCGKSA-N 1 1 281.346 3.040 20 30 CGEDMO C=CCC1(C(=O)NCC[N@@H+]2CCC[C@H]2C)CCCCC1 ZINC000828840618 633660076 /nfs/dbraw/zinc/66/00/76/633660076.db2.gz UMCLZFYBRMQWBS-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C#CCCC[N@@H+](Cc1ccccc1)[C@H](CO)C1CCC1 ZINC000829538971 633749944 /nfs/dbraw/zinc/74/99/44/633749944.db2.gz WCYZZEDWLIMUMY-GOSISDBHSA-N 1 1 271.404 3.063 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C)C1 ZINC000829804025 633788860 /nfs/dbraw/zinc/78/88/60/633788860.db2.gz DZFMFAVLPVDYPB-INIZCTEOSA-N 1 1 284.403 3.059 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccn(C(CC)CC)n2)C1 ZINC000829804428 633790210 /nfs/dbraw/zinc/79/02/10/633790210.db2.gz HBIKDEYRAFJRNS-HNNXBMFYSA-N 1 1 273.424 3.480 20 30 CGEDMO C=CC(C)(C)CCC[NH2+]C1CCN(CC2CC2)CC1 ZINC000872101298 634021700 /nfs/dbraw/zinc/02/17/00/634021700.db2.gz LVKUXGJKVKENPJ-UHFFFAOYSA-N 1 1 264.457 3.443 20 30 CGEDMO C=CCN(CCCCCC[NH3+])Cc1ccccc1F ZINC000846218337 636161329 /nfs/dbraw/zinc/16/13/29/636161329.db2.gz MCGMDAJEVUGGHE-UHFFFAOYSA-N 1 1 264.388 3.333 20 30 CGEDMO Cc1cc(F)ccc1[C@@H]1CCC[N@@H+]1CCO[C@@H](C)C#N ZINC000832524719 634070500 /nfs/dbraw/zinc/07/05/00/634070500.db2.gz RCBLGVWNKABJJR-BBRMVZONSA-N 1 1 276.355 3.200 20 30 CGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(COc2ccccc2C)no1 ZINC000872174927 634079421 /nfs/dbraw/zinc/07/94/21/634079421.db2.gz HUORPBJJWLPPKI-LLVKDONJSA-N 1 1 293.754 3.099 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](OC3CCC3)CC2)C1 ZINC000872280808 634101030 /nfs/dbraw/zinc/10/10/30/634101030.db2.gz PVSHQZXCGWCXMC-FMKPAKJESA-N 1 1 262.397 3.102 20 30 CGEDMO c1ccc(C[N@H+]2CCC(=NNC3CC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000834968256 634297613 /nfs/dbraw/zinc/29/76/13/634297613.db2.gz GHIHJJVDTFIJGU-WMZOPIPTSA-N 1 1 283.419 3.169 20 30 CGEDMO CSc1ccc(N=NC2CC[N@H+]3CCC[C@@H]23)cc1 ZINC000834998537 634306723 /nfs/dbraw/zinc/30/67/23/634306723.db2.gz JAIUFEWANRDJCT-AWEZNQCLSA-N 1 1 261.394 3.045 20 30 CGEDMO CCc1ccc(N[NH+]=C2CCCc3nc(N)ccc32)cc1 ZINC000835010512 634315042 /nfs/dbraw/zinc/31/50/42/634315042.db2.gz CYPKZSGWRGGQEJ-UHFFFAOYSA-N 1 1 280.375 3.379 20 30 CGEDMO C=CCO[NH+]=Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000835012632 634317205 /nfs/dbraw/zinc/31/72/05/634317205.db2.gz XFDSHPBTNYOYAW-UHFFFAOYSA-N 1 1 289.335 3.122 20 30 CGEDMO CC[N@@H+](Cc1cc2c(ccnc2Cl)o1)C[C@@H](C)C#N ZINC000876617921 634868969 /nfs/dbraw/zinc/86/89/69/634868969.db2.gz XBNNVJAHJOQKDP-JTQLQIEISA-N 1 1 277.755 3.463 20 30 CGEDMO CC[N@H+](Cc1cc2c(ccnc2Cl)o1)C[C@@H](C)C#N ZINC000876617921 634868975 /nfs/dbraw/zinc/86/89/75/634868975.db2.gz XBNNVJAHJOQKDP-JTQLQIEISA-N 1 1 277.755 3.463 20 30 CGEDMO C#CC[N@H+](Cc1cccn(C(F)F)c1=O)C1CCCCC1 ZINC000876643162 634874853 /nfs/dbraw/zinc/87/48/53/634874853.db2.gz VSWXHONVVZYBAX-UHFFFAOYSA-N 1 1 294.345 3.011 20 30 CGEDMO CC[C@H]1C[C@H](C)C[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000876748250 634892054 /nfs/dbraw/zinc/89/20/54/634892054.db2.gz ZLTJTTXRAAKJFT-GWCFXTLKSA-N 1 1 263.772 3.227 20 30 CGEDMO C#CCCCCCC[N@H+](C)CCC1CCOCC1 ZINC000876757396 634894411 /nfs/dbraw/zinc/89/44/11/634894411.db2.gz AQMLDEOWIADWGO-UHFFFAOYSA-N 1 1 251.414 3.319 20 30 CGEDMO CC[C@@]1(C)CC[N@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876781403 634897803 /nfs/dbraw/zinc/89/78/03/634897803.db2.gz KRONYPKPYOUGMG-AWEZNQCLSA-N 1 1 263.772 3.229 20 30 CGEDMO CC[C@@]1(C)CC[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876781403 634897805 /nfs/dbraw/zinc/89/78/05/634897805.db2.gz KRONYPKPYOUGMG-AWEZNQCLSA-N 1 1 263.772 3.229 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cn(C)nc1-c1cc(F)ccc1F ZINC000877165423 635005237 /nfs/dbraw/zinc/00/52/37/635005237.db2.gz KUNSBXJQTPASEC-UHFFFAOYSA-N 1 1 291.345 3.373 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1cc2c(ccnc2Cl)o1 ZINC000877366806 635030860 /nfs/dbraw/zinc/03/08/60/635030860.db2.gz XNALPIQUORLJDO-VIFPVBQESA-N 1 1 263.728 3.263 20 30 CGEDMO C=C(C)C[NH2+]Cc1nc(Cl)ccc1Br ZINC000877462715 635046684 /nfs/dbraw/zinc/04/66/84/635046684.db2.gz WNWZEGGPAWBLSV-UHFFFAOYSA-N 1 1 275.577 3.163 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000877479069 635052243 /nfs/dbraw/zinc/05/22/43/635052243.db2.gz RNDXHUYYZHWPHE-KGLIPLIRSA-N 1 1 291.357 3.205 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2cccc3ncccc23)C1 ZINC000877605220 635108764 /nfs/dbraw/zinc/10/87/64/635108764.db2.gz PNZDPQUASDNIOA-HNNXBMFYSA-N 1 1 264.372 3.470 20 30 CGEDMO C#CCCCCCC[N@@H+]1Cc2cccc(C#N)c2C1 ZINC000877616650 635114800 /nfs/dbraw/zinc/11/48/00/635114800.db2.gz MGCQRYQYEHKXBZ-UHFFFAOYSA-N 1 1 252.361 3.458 20 30 CGEDMO C#CCCCCCC[N@H+]1Cc2cccc(C#N)c2C1 ZINC000877616650 635114805 /nfs/dbraw/zinc/11/48/05/635114805.db2.gz MGCQRYQYEHKXBZ-UHFFFAOYSA-N 1 1 252.361 3.458 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000877640063 635127539 /nfs/dbraw/zinc/12/75/39/635127539.db2.gz TZFOVKGCOZEADX-ZDUSSCGKSA-N 1 1 277.330 3.223 20 30 CGEDMO C#CCCCCCC[N@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000877640063 635127541 /nfs/dbraw/zinc/12/75/41/635127541.db2.gz TZFOVKGCOZEADX-ZDUSSCGKSA-N 1 1 277.330 3.223 20 30 CGEDMO COCc1cccc(C[N@@H+](C)CCc2cccc(C#N)c2)c1 ZINC000877704323 635155530 /nfs/dbraw/zinc/15/55/30/635155530.db2.gz LYRZBQXDRHQNMW-UHFFFAOYSA-N 1 1 294.398 3.379 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000877741060 635177284 /nfs/dbraw/zinc/17/72/84/635177284.db2.gz URMJICQJHDWTDN-STQMWFEESA-N 1 1 252.427 3.001 20 30 CGEDMO CC([NH2+]Nc1nc(-c2ccccc2)no1)=C1CC1(F)F ZINC000841625723 635200840 /nfs/dbraw/zinc/20/08/40/635200840.db2.gz YQPIKWSLTNFESY-JTQLQIEISA-N 1 1 278.262 3.180 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC[C@@H](c3nc(C)cs3)C2)cc1 ZINC000877813720 635220941 /nfs/dbraw/zinc/22/09/41/635220941.db2.gz JRXPXPGZRSYVDX-MRXNPFEDSA-N 1 1 282.412 3.422 20 30 CGEDMO C#CCOc1ccccc1C[NH2+][C@H]1COCc2ccccc21 ZINC000841890524 635247885 /nfs/dbraw/zinc/24/78/85/635247885.db2.gz IUYBLBDNDINELO-SFHVURJKSA-N 1 1 293.366 3.060 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000877935546 635279379 /nfs/dbraw/zinc/27/93/79/635279379.db2.gz TYRJGGPRNGFPSN-CRAIPNDOSA-N 1 1 284.403 3.159 20 30 CGEDMO C=CC[C@H](C)[N@@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000877947171 635283508 /nfs/dbraw/zinc/28/35/08/635283508.db2.gz KVJCLTFPKZJHNK-AWEZNQCLSA-N 1 1 260.381 3.138 20 30 CGEDMO C#CCCCCC[N@@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000877986986 635307332 /nfs/dbraw/zinc/30/73/32/635307332.db2.gz WSCKPICNWSAIJB-UHFFFAOYSA-N 1 1 284.403 3.197 20 30 CGEDMO C#CC[N@H+](C[C@H]1C[C@@H](OC)C1)[C@@H]1CCc2ccccc21 ZINC000877991491 635311147 /nfs/dbraw/zinc/31/11/47/635311147.db2.gz QQFKLMPVRHRKLZ-UWWQBHOKSA-N 1 1 269.388 3.034 20 30 CGEDMO N#CC1CC[NH+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000878015716 635321795 /nfs/dbraw/zinc/32/17/95/635321795.db2.gz BOBCTYAFIVSTTJ-CQSZACIVSA-N 1 1 299.201 3.262 20 30 CGEDMO CC[C@H]1CCC[N@H+]1CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878046372 635336166 /nfs/dbraw/zinc/33/61/66/635336166.db2.gz YBNCDQUGGJHEMX-ROUUACIJSA-N 1 1 284.403 3.301 20 30 CGEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1ncccc1C ZINC000878124146 635368679 /nfs/dbraw/zinc/36/86/79/635368679.db2.gz HHPDWFBJCPILFW-UHFFFAOYSA-N 1 1 275.396 3.007 20 30 CGEDMO C=CC[C@@H](C)[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000878151053 635378944 /nfs/dbraw/zinc/37/89/44/635378944.db2.gz UEAZQNIRTKIYBY-AEFFLSMTSA-N 1 1 272.436 3.405 20 30 CGEDMO C=CC[C@@H](C)[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000878151053 635378946 /nfs/dbraw/zinc/37/89/46/635378946.db2.gz UEAZQNIRTKIYBY-AEFFLSMTSA-N 1 1 272.436 3.405 20 30 CGEDMO CC[C@H]1CC[N@@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000878184621 635398299 /nfs/dbraw/zinc/39/82/99/635398299.db2.gz XXOUDEQTYWJKOV-FUHWJXTLSA-N 1 1 284.403 3.159 20 30 CGEDMO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(=NNC24CC(C2)C4)C3)cc1 ZINC000842545771 635398988 /nfs/dbraw/zinc/39/89/88/635398988.db2.gz MXQVJGYZIAOZNJ-AFGAAMFOSA-N 1 1 295.430 3.312 20 30 CGEDMO C=C(C)C(C)(C)C(=O)OC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000842830137 635486149 /nfs/dbraw/zinc/48/61/49/635486149.db2.gz SBOBNONUVMURHR-CQSZACIVSA-N 1 1 267.413 3.252 20 30 CGEDMO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ccc(C#N)o2)C1 ZINC000878429031 635504896 /nfs/dbraw/zinc/50/48/96/635504896.db2.gz UYLSPNALGVOZBV-WBMJQRKESA-N 1 1 267.332 3.129 20 30 CGEDMO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000878429031 635504907 /nfs/dbraw/zinc/50/49/07/635504907.db2.gz UYLSPNALGVOZBV-WBMJQRKESA-N 1 1 267.332 3.129 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)o1 ZINC000878544918 635551195 /nfs/dbraw/zinc/55/11/95/635551195.db2.gz BLFNYODSAOXPHO-BBWFWOEESA-N 1 1 288.391 3.057 20 30 CGEDMO C#CCCCCC[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000878613994 635571251 /nfs/dbraw/zinc/57/12/51/635571251.db2.gz AZWQNSDZTKKSGN-KRWDZBQOSA-N 1 1 256.393 3.455 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCC12CCCC2)c1ccccc1 ZINC000878802186 635632132 /nfs/dbraw/zinc/63/21/32/635632132.db2.gz XILFEMUIYDDFHV-LJQANCHMSA-N 1 1 296.414 3.446 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@H+]1C[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000878849433 635641542 /nfs/dbraw/zinc/64/15/42/635641542.db2.gz KMEVRBQCIMRHJI-YTQUADARSA-N 1 1 296.414 3.301 20 30 CGEDMO C#CCC[N@@H+](C)Cc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000878929950 635660505 /nfs/dbraw/zinc/66/05/05/635660505.db2.gz VGKXYWGGFMFNCC-UHFFFAOYSA-N 1 1 281.281 3.037 20 30 CGEDMO C#CCC[N@H+](C)Cc1nc2cc(C(F)(F)F)ccc2[nH]1 ZINC000878929950 635660509 /nfs/dbraw/zinc/66/05/09/635660509.db2.gz VGKXYWGGFMFNCC-UHFFFAOYSA-N 1 1 281.281 3.037 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000843413712 635660913 /nfs/dbraw/zinc/66/09/13/635660913.db2.gz NXYACHZIHQGDMX-MSOLQXFVSA-N 1 1 299.414 3.090 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(OC)c(OCC)c2)C1 ZINC000843424182 635667938 /nfs/dbraw/zinc/66/79/38/635667938.db2.gz QHYOTFWZURBEPP-HNNXBMFYSA-N 1 1 287.403 3.329 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2ncc(CSC)s2)C1 ZINC000843424437 635668753 /nfs/dbraw/zinc/66/87/53/635668753.db2.gz ZYTPIOQYBHMHRP-GFCCVEGCSA-N 1 1 280.462 3.241 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ncc(CSC)s2)C1 ZINC000843424437 635668755 /nfs/dbraw/zinc/66/87/55/635668755.db2.gz ZYTPIOQYBHMHRP-GFCCVEGCSA-N 1 1 280.462 3.241 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cnc(N(CC)CC)s2)C1 ZINC000843424163 635668880 /nfs/dbraw/zinc/66/88/80/635668880.db2.gz PWZQNRIZDLWAAH-AWEZNQCLSA-N 1 1 291.464 3.225 20 30 CGEDMO CC1(C)CCC[C@H](C[N@H+]2CCc3c(CC#N)cccc3C2)O1 ZINC000879064625 635693569 /nfs/dbraw/zinc/69/35/69/635693569.db2.gz KWGACCKAIRQDIQ-QGZVFWFLSA-N 1 1 298.430 3.458 20 30 CGEDMO C=C(Cl)C[NH2+][C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000879112625 635705855 /nfs/dbraw/zinc/70/58/55/635705855.db2.gz QEEUNAKDUYUEBK-GFCCVEGCSA-N 1 1 278.154 3.245 20 30 CGEDMO CC(C)C[C@@H]1CCCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000127562413 635722771 /nfs/dbraw/zinc/72/27/71/635722771.db2.gz WJOGHZURFCVRCB-ROUUACIJSA-N 1 1 286.419 3.492 20 30 CGEDMO O[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC000879246795 635734604 /nfs/dbraw/zinc/73/46/04/635734604.db2.gz XVBJMLHYIIRIKB-VQTJNVASSA-N 1 1 291.394 3.236 20 30 CGEDMO C[N@H+](C[C@H](O)c1cccc2ccccc21)[C@@H]1CCC[C@H]1C#N ZINC000879310548 635752653 /nfs/dbraw/zinc/75/26/53/635752653.db2.gz VPRDCXVHSLVERU-IPELMVKDSA-N 1 1 294.398 3.497 20 30 CGEDMO C[N@@H+](C[C@H](O)c1cccc2ccccc21)[C@@H]1CCC[C@H]1C#N ZINC000879310548 635752658 /nfs/dbraw/zinc/75/26/58/635752658.db2.gz VPRDCXVHSLVERU-IPELMVKDSA-N 1 1 294.398 3.497 20 30 CGEDMO C[N@@H+](C[C@@H]1CC(C)(C)OC1(C)C)[C@@H]1CCC[C@H]1C#N ZINC000879310545 635752812 /nfs/dbraw/zinc/75/28/12/635752812.db2.gz VMSOIDAKZCMEGL-MELADBBJSA-N 1 1 264.413 3.204 20 30 CGEDMO C=CC[N@H+](C[C@@H]1CCC[C@@H](C(F)(F)F)O1)C1CC1 ZINC000930175617 635782988 /nfs/dbraw/zinc/78/29/88/635782988.db2.gz NGJIZPQXLWRLBT-RYUDHWBXSA-N 1 1 263.303 3.137 20 30 CGEDMO CC1(C)[C@H](c2ccccc2F)CC[N@H+]1CCOCCC#N ZINC000879639865 635823226 /nfs/dbraw/zinc/82/32/26/635823226.db2.gz BEIDRNQQFFEIIA-HNNXBMFYSA-N 1 1 290.382 3.324 20 30 CGEDMO C=C(C)CC[N@H+]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC000879634862 635824041 /nfs/dbraw/zinc/82/40/41/635824041.db2.gz YHRQRLVNQUXTTC-MRXNPFEDSA-N 1 1 261.365 3.035 20 30 CGEDMO C[N@@H+](Cc1ccc2cc[nH]c2c1)[C@@H]1CC[C@H](C#N)C1 ZINC000879724868 635842316 /nfs/dbraw/zinc/84/23/16/635842316.db2.gz QIQUUMCJLIBNEG-SWLSCSKDSA-N 1 1 253.349 3.292 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(Cc2nc([C@@H]3C[C@@H]3C)no2)CC1 ZINC000844409576 635893215 /nfs/dbraw/zinc/89/32/15/635893215.db2.gz KCYIKZUIANYRDW-GXFFZTMASA-N 1 1 295.814 3.200 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844437022 635901263 /nfs/dbraw/zinc/90/12/63/635901263.db2.gz KQIYHJVZXIVRNH-ZDUSSCGKSA-N 1 1 256.340 3.438 20 30 CGEDMO N#Cc1ccccc1OCC[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844440472 635902237 /nfs/dbraw/zinc/90/22/37/635902237.db2.gz USLWKFPFWRSXKV-OAHLLOKOSA-N 1 1 292.329 3.058 20 30 CGEDMO N#CC1(CCC[N@@H+]2CCC[C@]3(CC3(F)F)C2)CCOCC1 ZINC000844442962 635905151 /nfs/dbraw/zinc/90/51/51/635905151.db2.gz HVNFSLRAPMJIDG-HNNXBMFYSA-N 1 1 298.377 3.208 20 30 CGEDMO C#CCCCN1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000880254764 635957719 /nfs/dbraw/zinc/95/77/19/635957719.db2.gz NCGCZXPPGXGBQZ-UHFFFAOYSA-N 1 1 262.441 3.130 20 30 CGEDMO C=CCCCCCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000846147164 636149675 /nfs/dbraw/zinc/14/96/75/636149675.db2.gz NJADCJZIAOKEIA-OAHLLOKOSA-N 1 1 289.423 3.007 20 30 CGEDMO C=C(C)C[NH+]1CCC(NCc2cccc(OCC)c2)CC1 ZINC000106245308 636170427 /nfs/dbraw/zinc/17/04/27/636170427.db2.gz XMRCXTPOJCXFCC-UHFFFAOYSA-N 1 1 288.435 3.215 20 30 CGEDMO CC[C@H](CC#N)[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000846991525 636302608 /nfs/dbraw/zinc/30/26/08/636302608.db2.gz IQCUORKNGPLTFT-CHWSQXEVSA-N 1 1 286.297 3.021 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccccc2OC(C)C)C1 ZINC000847024732 636315147 /nfs/dbraw/zinc/31/51/47/636315147.db2.gz SAMLXUSXBJQSTJ-OAHLLOKOSA-N 1 1 257.377 3.319 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2)C1 ZINC000847024472 636315934 /nfs/dbraw/zinc/31/59/34/636315934.db2.gz QUODQXAMBOAFBK-QWHCGFSZSA-N 1 1 290.794 3.012 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2)C1 ZINC000847024472 636315940 /nfs/dbraw/zinc/31/59/40/636315940.db2.gz QUODQXAMBOAFBK-QWHCGFSZSA-N 1 1 290.794 3.012 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000847029249 636319365 /nfs/dbraw/zinc/31/93/65/636319365.db2.gz MELFHWJWWVMAMY-MRXNPFEDSA-N 1 1 298.430 3.402 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](CC(=O)Nc2c(C)cccc2C(C)C)C1 ZINC000847029249 636319372 /nfs/dbraw/zinc/31/93/72/636319372.db2.gz MELFHWJWWVMAMY-MRXNPFEDSA-N 1 1 298.430 3.402 20 30 CGEDMO C=CCn1c(C)nn(C[N@H+]2CCC[C@@H]2CC(C)C)c1=S ZINC000129614763 636321609 /nfs/dbraw/zinc/32/16/09/636321609.db2.gz AABOFOMDJALEKB-CQSZACIVSA-N 1 1 294.468 3.377 20 30 CGEDMO C=CCn1c(C)nn(C[N@@H+]2CCC[C@@H]2CC(C)C)c1=S ZINC000129614763 636321616 /nfs/dbraw/zinc/32/16/16/636321616.db2.gz AABOFOMDJALEKB-CQSZACIVSA-N 1 1 294.468 3.377 20 30 CGEDMO Cc1ccc[nH+]c1NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000130980422 636540135 /nfs/dbraw/zinc/54/01/35/636540135.db2.gz ADWRADILNFKWOE-ZDUSSCGKSA-N 1 1 267.332 3.293 20 30 CGEDMO CCCC[N@@H+](CC)Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000131040047 636545500 /nfs/dbraw/zinc/54/55/00/636545500.db2.gz QGZJCLOWNZMVIU-UHFFFAOYSA-N 1 1 297.406 3.205 20 30 CGEDMO Fc1ccc(N=NC2CCC[N@H+]3CCCC[C@H]23)c(F)c1 ZINC000848398591 636566378 /nfs/dbraw/zinc/56/63/78/636566378.db2.gz KCPYPPKFACDEAE-OAHLLOKOSA-N 1 1 279.334 3.381 20 30 CGEDMO O=[N+]([O-])c1cccc(N=NC2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000848399372 636567840 /nfs/dbraw/zinc/56/78/40/636567840.db2.gz PHKGFMZOIGPOSS-OAHLLOKOSA-N 1 1 288.351 3.011 20 30 CGEDMO c1cnc(C2CCC2)c(N=NC2CCC[N@H+]3CCCC[C@@H]23)n1 ZINC000848410901 636570734 /nfs/dbraw/zinc/57/07/34/636570734.db2.gz KEASRAUKNJEHFI-HNNXBMFYSA-N 1 1 299.422 3.160 20 30 CGEDMO Cc1ccc(-c2cnc(CO[NH+]=C(N)CC(C)C)o2)cc1 ZINC000131253487 636598966 /nfs/dbraw/zinc/59/89/66/636598966.db2.gz UKANXONNAGCIGY-UHFFFAOYSA-N 1 1 287.363 3.485 20 30 CGEDMO N#CCCCC[C@H]([NH3+])c1nc(-c2cc(F)cc(F)c2)no1 ZINC000848621254 636621098 /nfs/dbraw/zinc/62/10/98/636621098.db2.gz KMNVKDNLQNURHZ-LBPRGKRZSA-N 1 1 292.289 3.099 20 30 CGEDMO Cc1ccc(F)cc1-c1noc([C@H]([NH3+])CCCCC#N)n1 ZINC000848621128 636621372 /nfs/dbraw/zinc/62/13/72/636621372.db2.gz JUJXSUWORNPZTA-CYBMUJFWSA-N 1 1 288.326 3.268 20 30 CGEDMO N#CCCCC[C@@H]([NH3+])c1nc(-c2c[nH]c3ccccc23)no1 ZINC000848628200 636623497 /nfs/dbraw/zinc/62/34/97/636623497.db2.gz RHKGYYMETYVRNF-CYBMUJFWSA-N 1 1 295.346 3.302 20 30 CGEDMO N#CCCCC[C@H]([NH3+])c1nc([C@H]2CCC(F)(F)C2)no1 ZINC000848632148 636625434 /nfs/dbraw/zinc/62/54/34/636625434.db2.gz OIWYGNXMRPIJQL-UWVGGRQHSA-N 1 1 284.310 3.056 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC000848923505 636694110 /nfs/dbraw/zinc/69/41/10/636694110.db2.gz FYAOOCXLFMNANA-AWEZNQCLSA-N 1 1 297.377 3.071 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cn(-c3cccc(C)c3)nc2C)C1 ZINC000848924261 636695650 /nfs/dbraw/zinc/69/56/50/636695650.db2.gz OWWUCQNPDMDATG-QGZVFWFLSA-N 1 1 293.414 3.334 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cc(OC)ccc2OC(F)F)C1 ZINC000848923694 636695918 /nfs/dbraw/zinc/69/59/18/636695918.db2.gz IKKRJWOGWZEJCS-LBPRGKRZSA-N 1 1 295.329 3.142 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(OC)ccc2OC(F)F)C1 ZINC000848923694 636695921 /nfs/dbraw/zinc/69/59/21/636695921.db2.gz IKKRJWOGWZEJCS-LBPRGKRZSA-N 1 1 295.329 3.142 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(OCC)c(F)c2)C1 ZINC000848924724 636697770 /nfs/dbraw/zinc/69/77/70/636697770.db2.gz YWGCYJCEZGTORO-ZDUSSCGKSA-N 1 1 261.340 3.070 20 30 CGEDMO C=CCC1([NH2+]Cc2c(O)ccc(Cl)c2F)CCOCC1 ZINC000850367752 637031594 /nfs/dbraw/zinc/03/15/94/637031594.db2.gz CSZQOXJLIBIDOH-UHFFFAOYSA-N 1 1 299.773 3.400 20 30 CGEDMO CCC[C@H](C)[C@H]1CCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000135334844 637118316 /nfs/dbraw/zinc/11/83/16/637118316.db2.gz RVFGOSXTTFDODC-QGTPRVQTSA-N 1 1 286.419 3.492 20 30 CGEDMO C[N@@H+](C[C@H](O)CC1(C#N)CCC1)[C@H]1CCc2ccccc21 ZINC000885949115 637326522 /nfs/dbraw/zinc/32/65/22/637326522.db2.gz OLPKVEKNTRTILX-WBVHZDCISA-N 1 1 284.403 3.051 20 30 CGEDMO C[C@@H]1CC[N@@H+](C[C@H](O)CC2(C#N)CCC2)[C@H]2CCCC[C@H]12 ZINC000885954472 637328945 /nfs/dbraw/zinc/32/89/45/637328945.db2.gz YYFLSVYAFJACAZ-VQHPVUNQSA-N 1 1 290.451 3.332 20 30 CGEDMO C[N@@H+](CCC1CCCCC1)C[C@@H](O)CC1(C#N)CCC1 ZINC000885979506 637341116 /nfs/dbraw/zinc/34/11/16/637341116.db2.gz DZXLGSOYVKSYSQ-INIZCTEOSA-N 1 1 278.440 3.333 20 30 CGEDMO CC[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886010850 637358806 /nfs/dbraw/zinc/35/88/06/637358806.db2.gz QOCAONAUAMETKB-FUHWJXTLSA-N 1 1 298.430 3.441 20 30 CGEDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886036623 637379174 /nfs/dbraw/zinc/37/91/74/637379174.db2.gz APDNKTDJZIGZNF-NJAFHUGGSA-N 1 1 298.430 3.309 20 30 CGEDMO Cc1coc(C[NH2+]C2(c3cccc(C#N)c3)CC2)c1 ZINC000886041899 637382441 /nfs/dbraw/zinc/38/24/41/637382441.db2.gz RUVBJTZDKKKVNQ-UHFFFAOYSA-N 1 1 252.317 3.239 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@@H]3C[C@]34CCOC4)CC2)cc1 ZINC000886100533 637412031 /nfs/dbraw/zinc/41/20/31/637412031.db2.gz QDEQIFPWKQSMIK-OALUTQOASA-N 1 1 294.398 3.074 20 30 CGEDMO CC(C)C[C@]1(C)CCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886223386 637464380 /nfs/dbraw/zinc/46/43/80/637464380.db2.gz KPNWVFMGQZCRJY-CVEARBPZSA-N 1 1 278.440 3.332 20 30 CGEDMO CSc1ccc(C[NH2+]Cc2c(C)noc2C)cc1C#N ZINC000886279454 637481577 /nfs/dbraw/zinc/48/15/77/637481577.db2.gz ZDYTULBRCFWBDT-UHFFFAOYSA-N 1 1 287.388 3.175 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](CC(=O)Nc2cccc3ccccc32)C1 ZINC000886359770 637512280 /nfs/dbraw/zinc/51/22/80/637512280.db2.gz JQRJYFWJBPCYSF-OAHLLOKOSA-N 1 1 292.382 3.124 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2ncc(-c3cccs3)o2)C1 ZINC000886357968 637513342 /nfs/dbraw/zinc/51/33/42/637513342.db2.gz NMTMABOQFMDPNL-LBPRGKRZSA-N 1 1 272.373 3.248 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccn(C(CC)CC)n2)C1 ZINC000886362796 637514240 /nfs/dbraw/zinc/51/42/40/637514240.db2.gz NMEYNFBXPWIVOM-CQSZACIVSA-N 1 1 259.397 3.089 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](C[C@H](O)c2cccc3ccccc32)C1 ZINC000886365170 637515142 /nfs/dbraw/zinc/51/51/42/637515142.db2.gz BIPHTNFFGWZYFK-BEFAXECRSA-N 1 1 279.383 3.218 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+]Cc1nnc(-c2ccccc2)s1 ZINC000852101080 637596233 /nfs/dbraw/zinc/59/62/33/637596233.db2.gz LUVHEESHWHMLIX-HNNXBMFYSA-N 1 1 271.389 3.097 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000852319385 637633233 /nfs/dbraw/zinc/63/32/33/637633233.db2.gz LORUZYFCMCNYQI-NHYWBVRUSA-N 1 1 296.773 3.138 20 30 CGEDMO N#C[C@@]1(c2ccccn2)CCC[N@H+](Cc2ccccc2)C1 ZINC000852326360 637636134 /nfs/dbraw/zinc/63/61/34/637636134.db2.gz MUIINYCUPUNNBM-SFHVURJKSA-N 1 1 277.371 3.139 20 30 CGEDMO N#C[C@@]1(c2ccccn2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000852326360 637636138 /nfs/dbraw/zinc/63/61/38/637636138.db2.gz MUIINYCUPUNNBM-SFHVURJKSA-N 1 1 277.371 3.139 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](C[C@H](O)c2c(F)cccc2F)C1 ZINC000852410468 637649069 /nfs/dbraw/zinc/64/90/69/637649069.db2.gz MKFWLURSWUDIKW-WFASDCNBSA-N 1 1 281.346 3.286 20 30 CGEDMO CCC1(CC)CCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000852528488 637671668 /nfs/dbraw/zinc/67/16/68/637671668.db2.gz UTPDBOYBESEKDX-KRWDZBQOSA-N 1 1 286.419 3.494 20 30 CGEDMO C=CC[N@@H+](C[C@H](O)c1c(F)cccc1F)C(C)(C)C ZINC000852552718 637676732 /nfs/dbraw/zinc/67/67/32/637676732.db2.gz CWPAWKOVTDNRJF-ZDUSSCGKSA-N 1 1 269.335 3.285 20 30 CGEDMO C=CCC1(O)CC[NH+](Cc2ncc(-c3ccccc3)o2)CC1 ZINC000886759690 637679178 /nfs/dbraw/zinc/67/91/78/637679178.db2.gz MPQGJBFMSBIQMR-UHFFFAOYSA-N 1 1 298.386 3.245 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)c1ccc(F)c(F)c1 ZINC000852686403 637695583 /nfs/dbraw/zinc/69/55/83/637695583.db2.gz TXZHYUURJHQPAI-DVOMOZLQSA-N 1 1 279.330 3.181 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)c1ccc(F)cc1 ZINC000852686133 637695770 /nfs/dbraw/zinc/69/57/70/637695770.db2.gz GKXNKVSFEAPSBX-XHSDSOJGSA-N 1 1 261.340 3.042 20 30 CGEDMO C#CCC[N@H+](CC/C=C/c1ccccc1)CCOC ZINC000852749143 637706562 /nfs/dbraw/zinc/70/65/62/637706562.db2.gz QCHYIGQILJJMJB-XYOKQWHBSA-N 1 1 257.377 3.062 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000889725660 638106091 /nfs/dbraw/zinc/10/60/91/638106091.db2.gz IZZSPWGCCZNZPA-KRWDZBQOSA-N 1 1 284.403 3.036 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000889725660 638106117 /nfs/dbraw/zinc/10/61/17/638106117.db2.gz IZZSPWGCCZNZPA-KRWDZBQOSA-N 1 1 284.403 3.036 20 30 CGEDMO CC[C@@H]1C[N@H+](Cc2cc(Cl)cc(C#N)c2)CCCO1 ZINC000930317976 638277557 /nfs/dbraw/zinc/27/75/57/638277557.db2.gz WZEUJVVXDPVKKD-OAHLLOKOSA-N 1 1 278.783 3.213 20 30 CGEDMO CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C#N)c2)CCCO1 ZINC000930317976 638277559 /nfs/dbraw/zinc/27/75/59/638277559.db2.gz WZEUJVVXDPVKKD-OAHLLOKOSA-N 1 1 278.783 3.213 20 30 CGEDMO CC[C@@H]1CCCC[N@@H+]1CCN[C@H](C)CC(C)(C)C#N ZINC000925052199 638443339 /nfs/dbraw/zinc/44/33/39/638443339.db2.gz PHGCKMATQWCTNW-HUUCEWRRSA-N 1 1 265.445 3.169 20 30 CGEDMO CC[C@@H]1CCCC[N@H+]1CCN[C@H](C)CC(C)(C)C#N ZINC000925052199 638443343 /nfs/dbraw/zinc/44/33/43/638443343.db2.gz PHGCKMATQWCTNW-HUUCEWRRSA-N 1 1 265.445 3.169 20 30 CGEDMO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccnnc1 ZINC000925602260 638542634 /nfs/dbraw/zinc/54/26/34/638542634.db2.gz STPVTKIGKIDOQB-CZUORRHYSA-N 1 1 266.348 3.172 20 30 CGEDMO C=CCCCCC[C@H](C)[NH2+]C[C@@H]1CNCCC1(F)F ZINC000925774490 638606863 /nfs/dbraw/zinc/60/68/63/638606863.db2.gz ATEAPGVPMKTGOH-KBPBESRZSA-N 1 1 274.399 3.346 20 30 CGEDMO CCCC[N@@H+](C)C[C@@H](C)N[C@@H](C)CC(C)(C)C#N ZINC000926441999 638772089 /nfs/dbraw/zinc/77/20/89/638772089.db2.gz FQUJWCUQCWVQBH-UONOGXRCSA-N 1 1 253.434 3.025 20 30 CGEDMO CCCC[N@H+](C)C[C@@H](C)N[C@@H](C)CC(C)(C)C#N ZINC000926441999 638772086 /nfs/dbraw/zinc/77/20/86/638772086.db2.gz FQUJWCUQCWVQBH-UONOGXRCSA-N 1 1 253.434 3.025 20 30 CGEDMO Cc1nc2c(o1)CCC[C@H]2[NH2+]Cc1ccc(CC#N)cc1 ZINC000926629686 638792254 /nfs/dbraw/zinc/79/22/54/638792254.db2.gz ZTWLPGHOTJBGKN-OAHLLOKOSA-N 1 1 281.359 3.216 20 30 CGEDMO Cc1[nH+]ccn1CCCC(=O)Nc1ccc(CCC#N)cc1 ZINC000928406864 638881393 /nfs/dbraw/zinc/88/13/93/638881393.db2.gz WBIXOONZMDDDJZ-UHFFFAOYSA-N 1 1 296.374 3.067 20 30 CGEDMO C[N@@H+](Cc1cncc(C#N)c1)[C@H]1CCCc2ccccc21 ZINC000929129108 638901021 /nfs/dbraw/zinc/90/10/21/638901021.db2.gz HGRQVCTWLXDJKI-SFHVURJKSA-N 1 1 277.371 3.463 20 30 CGEDMO C=CC[N@H+](CCc1nnc(C)o1)Cc1ccc(Cl)s1 ZINC000929130185 638901212 /nfs/dbraw/zinc/90/12/12/638901212.db2.gz QYWGLPBSQDDYCZ-UHFFFAOYSA-N 1 1 297.811 3.324 20 30 CGEDMO CC[C@H]1CO[C@@H](C)C[N@H+]1CCCCC1(C#N)CCC1 ZINC000929270308 638913405 /nfs/dbraw/zinc/91/34/05/638913405.db2.gz NLMXDVWUFBLDMD-GJZGRUSLSA-N 1 1 264.413 3.350 20 30 CGEDMO N#CC[C@@H](O)C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000929292493 638915879 /nfs/dbraw/zinc/91/58/79/638915879.db2.gz LPLCIQHRTUVMKI-GFCCVEGCSA-N 1 1 299.201 3.232 20 30 CGEDMO N#Cc1cncc(C[N@@H+]2CC[C@H](c3ccccc3F)C2)c1 ZINC000929597727 638932924 /nfs/dbraw/zinc/93/29/24/638932924.db2.gz IYFASCAEODHGMI-HNNXBMFYSA-N 1 1 281.334 3.082 20 30 CGEDMO CC[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)C[C@H](C)O1 ZINC000929618468 638935000 /nfs/dbraw/zinc/93/50/00/638935000.db2.gz AHVTWEIMBPPRLA-LSDHHAIUSA-N 1 1 264.413 3.350 20 30 CGEDMO Cc1cccc([C@@H](O)C[N@H+](CCC#N)CC(C)(C)C)c1 ZINC000929690934 638941783 /nfs/dbraw/zinc/94/17/83/638941783.db2.gz AQYLGOISNSYYJU-INIZCTEOSA-N 1 1 274.408 3.290 20 30 CGEDMO Cc1cccc([C@@H](O)C[N@@H+](CCC#N)CC(C)(C)C)c1 ZINC000929690934 638941785 /nfs/dbraw/zinc/94/17/85/638941785.db2.gz AQYLGOISNSYYJU-INIZCTEOSA-N 1 1 274.408 3.290 20 30 CGEDMO Cc1[nH]c(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(C)[nH+]1 ZINC000929756332 638947551 /nfs/dbraw/zinc/94/75/51/638947551.db2.gz DWFKYUZFDIQDRC-FUHWJXTLSA-N 1 1 294.402 3.298 20 30 CGEDMO C[C@@H](c1ccccn1)[N@@H+](C)CC1CCC(C#N)CC1 ZINC000930118333 638975671 /nfs/dbraw/zinc/97/56/71/638975671.db2.gz CVLJKMIBPDRXNW-NFOMZHRRSA-N 1 1 257.381 3.404 20 30 CGEDMO CO[C@H]1CC[N@@H+](CCCCC2(C#N)CCC2)[C@@H](C)C1 ZINC000930325096 638990836 /nfs/dbraw/zinc/99/08/36/638990836.db2.gz VPPZZWSUMAZAAL-GJZGRUSLSA-N 1 1 264.413 3.350 20 30 CGEDMO N#CC1CCC(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)CC1 ZINC000930521838 639017338 /nfs/dbraw/zinc/01/73/38/639017338.db2.gz LPLAEAPQTSBPED-BHUNQDJPSA-N 1 1 288.435 3.350 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000930571566 639029487 /nfs/dbraw/zinc/02/94/87/639029487.db2.gz KWBLXNOODKHSHW-QGZVFWFLSA-N 1 1 284.403 3.055 20 30 CGEDMO COC[C@@]1(C)CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000930603830 639036263 /nfs/dbraw/zinc/03/62/63/639036263.db2.gz RXCGFXCMVYUSML-HNNXBMFYSA-N 1 1 264.413 3.209 20 30 CGEDMO COC[C@@H]1CCC[N@@H+](CC2CCC(C#N)CC2)CC1 ZINC000930674284 639051148 /nfs/dbraw/zinc/05/11/48/639051148.db2.gz CYQFUQXUJQLYBH-UYSNPLJNSA-N 1 1 264.413 3.065 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1cnc(N(C)C)c2ccccc12 ZINC000930692991 639053729 /nfs/dbraw/zinc/05/37/29/639053729.db2.gz KZQHYTRCUAQXQD-CQSZACIVSA-N 1 1 282.391 3.083 20 30 CGEDMO N#Cc1ccc(C[N@@H+](Cc2ccnc(F)c2)C2CC2)cc1 ZINC000859095753 639078175 /nfs/dbraw/zinc/07/81/75/639078175.db2.gz WOGCKIWJCKPWHN-UHFFFAOYSA-N 1 1 281.334 3.257 20 30 CGEDMO N#Cc1ccc(C[N@H+](Cc2ccnc(F)c2)C2CC2)cc1 ZINC000859095753 639078179 /nfs/dbraw/zinc/07/81/79/639078179.db2.gz WOGCKIWJCKPWHN-UHFFFAOYSA-N 1 1 281.334 3.257 20 30 CGEDMO C[C@H]1[C@H](N(C)C)CC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000931046069 639102422 /nfs/dbraw/zinc/10/24/22/639102422.db2.gz SIKBMANMDURPPB-WMLDXEAASA-N 1 1 285.435 3.012 20 30 CGEDMO C[C@H]1[C@H](N(C)C)CC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000931046069 639102427 /nfs/dbraw/zinc/10/24/27/639102427.db2.gz SIKBMANMDURPPB-WMLDXEAASA-N 1 1 285.435 3.012 20 30 CGEDMO C=CC[C@@H]1[N@@H+](CC2CC(OC)C2)CCCC1(C)C ZINC000859280534 639124123 /nfs/dbraw/zinc/12/41/23/639124123.db2.gz JBEHJOWRIHFKJO-NRXISQOPSA-N 1 1 251.414 3.478 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCOc3cc(F)ccc3C2)CC1 ZINC000931335532 639136537 /nfs/dbraw/zinc/13/65/37/639136537.db2.gz FSLVWPMHIXVNSB-UHFFFAOYSA-N 1 1 288.366 3.350 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(=O)oc3cc(C)ccc23)C1 ZINC000859445987 639142660 /nfs/dbraw/zinc/14/26/60/639142660.db2.gz XSXWRKNGOTXKQR-CQSZACIVSA-N 1 1 283.371 3.499 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](C[C@@H]2CN(C3CCCCC3)C(=O)O2)C1 ZINC000859445931 639142792 /nfs/dbraw/zinc/14/27/92/639142792.db2.gz RQPUHGQOOAUSOS-GDBMZVCRSA-N 1 1 292.423 3.038 20 30 CGEDMO C=CC[C@H]1CC[N@H+](C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000859446438 639143038 /nfs/dbraw/zinc/14/30/38/639143038.db2.gz ZWZNNWLZBVTNNG-NHYWBVRUSA-N 1 1 283.774 3.411 20 30 CGEDMO Cc1n[nH]cc1C[N@@H+](C)CCCCC1(C#N)CCC1 ZINC000931417783 639146168 /nfs/dbraw/zinc/14/61/68/639146168.db2.gz OZAMMMYENSBJET-UHFFFAOYSA-N 1 1 260.385 3.014 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@](O)(c3ccccc3)C2)c1 ZINC000859582631 639167524 /nfs/dbraw/zinc/16/75/24/639167524.db2.gz JQGKNIVYHDWZNA-LJQANCHMSA-N 1 1 292.382 3.042 20 30 CGEDMO CC(C)(C)[C@@H]1CSCC[N@H+]1CC1(CC#N)CC1 ZINC000931591970 639176610 /nfs/dbraw/zinc/17/66/10/639176610.db2.gz FXROMJZSCXIWFL-LBPRGKRZSA-N 1 1 252.427 3.144 20 30 CGEDMO CC(C)(C)[C@H]1CSCC[N@H+]1CCC(C)(C)C#N ZINC000931598028 639177838 /nfs/dbraw/zinc/17/78/38/639177838.db2.gz ZTWYXFIKTQSWFU-GFCCVEGCSA-N 1 1 254.443 3.390 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)c1 ZINC000931934268 639237028 /nfs/dbraw/zinc/23/70/28/639237028.db2.gz RKVOKWKCLHVAJU-MJGOQNOKSA-N 1 1 292.357 3.471 20 30 CGEDMO C#CCCC[N@@H+]1CCc2cc(F)cc(Br)c2C1 ZINC000860111124 639283823 /nfs/dbraw/zinc/28/38/23/639283823.db2.gz UEIOPLBLERTVNX-UHFFFAOYSA-N 1 1 296.183 3.360 20 30 CGEDMO C#CCCC[N@H+]1CCc2cc(F)cc(Br)c2C1 ZINC000860111124 639283830 /nfs/dbraw/zinc/28/38/30/639283830.db2.gz UEIOPLBLERTVNX-UHFFFAOYSA-N 1 1 296.183 3.360 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000932348320 639317308 /nfs/dbraw/zinc/31/73/08/639317308.db2.gz RWJGRKYCJYQPEA-AWEZNQCLSA-N 1 1 272.392 3.099 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CCO1 ZINC000932348321 639317902 /nfs/dbraw/zinc/31/79/02/639317902.db2.gz RWJGRKYCJYQPEA-CQSZACIVSA-N 1 1 272.392 3.099 20 30 CGEDMO C=CC1(CC(=O)N2CCC[N@H+](CC)CC2)CCCCC1 ZINC000932353472 639319402 /nfs/dbraw/zinc/31/94/02/639319402.db2.gz ZKQYLVJTRWKKEY-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(SC(=O)N(C)C)cc1)C(C)C ZINC000932390808 639325208 /nfs/dbraw/zinc/32/52/08/639325208.db2.gz QCEVXXCMCUOBAQ-UHFFFAOYSA-N 1 1 290.432 3.304 20 30 CGEDMO CC(C)C[N@@H+](Cc1ccccn1)[C@H]1CC[C@@H](C#N)C1 ZINC000932448557 639334799 /nfs/dbraw/zinc/33/47/99/639334799.db2.gz BQIJALBGFPWGAR-ZBFHGGJFSA-N 1 1 257.381 3.232 20 30 CGEDMO C#CC[N@H+](CCC(=O)Nc1ccccc1C)C(C)(C)C ZINC000932463477 639337522 /nfs/dbraw/zinc/33/75/22/639337522.db2.gz JKZIGKOZYALYDB-UHFFFAOYSA-N 1 1 272.392 3.057 20 30 CGEDMO C=CCCCC[N@@H+]1CCn2nc(C(F)(F)F)cc2C1 ZINC000932594926 639363645 /nfs/dbraw/zinc/36/36/45/639363645.db2.gz QBBTVUSNCIRLTE-UHFFFAOYSA-N 1 1 273.302 3.074 20 30 CGEDMO Cc1csc(C[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)n1 ZINC000933129245 639422006 /nfs/dbraw/zinc/42/20/06/639422006.db2.gz KAZMDLVODZZWPY-CQSZACIVSA-N 1 1 297.427 3.388 20 30 CGEDMO C[C@@H](CCC#N)[N@@H+](C)Cc1cc(-c2ccccc2)n[nH]1 ZINC000934415212 639604387 /nfs/dbraw/zinc/60/43/87/639604387.db2.gz NAEBYOATKYOWQL-ZDUSSCGKSA-N 1 1 268.364 3.201 20 30 CGEDMO C=CCCC[N@H+](CC)CCC(=O)Nc1ccccc1C#N ZINC000934647565 639650968 /nfs/dbraw/zinc/65/09/68/639650968.db2.gz BJGJJUMANPSPGJ-UHFFFAOYSA-N 1 1 285.391 3.175 20 30 CGEDMO N#Cc1c(F)cccc1C[NH2+][C@H](c1ccncc1)C1CC1 ZINC000934700618 639661085 /nfs/dbraw/zinc/66/10/85/639661085.db2.gz TXKQZRBWBQUASK-KRWDZBQOSA-N 1 1 281.334 3.333 20 30 CGEDMO C#CCCCCC[N@H+]1CCCC[C@@H]([C@@H]2CCOC2)C1 ZINC000934829814 639681697 /nfs/dbraw/zinc/68/16/97/639681697.db2.gz BVLPAGFXKRPLTP-IAGOWNOFSA-N 1 1 263.425 3.319 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](O)c1cccc(Cl)c1 ZINC000075749982 640153960 /nfs/dbraw/zinc/15/39/60/640153960.db2.gz IUAXRNBAZFDCJQ-AWEZNQCLSA-N 1 1 253.773 3.271 20 30 CGEDMO N#CCC[C@H]([NH2+]Cc1ccc(F)nc1)c1ccccc1 ZINC000189165888 640173861 /nfs/dbraw/zinc/17/38/61/640173861.db2.gz VUUYTWQOYDKBSZ-HNNXBMFYSA-N 1 1 269.323 3.355 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)C[C@H]1CCC=CO1 ZINC000193881383 640500747 /nfs/dbraw/zinc/50/07/47/640500747.db2.gz LQXNTPSUZQKIJZ-OAHLLOKOSA-N 1 1 250.386 3.331 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C)C2)cc1 ZINC000245786962 640638188 /nfs/dbraw/zinc/63/81/88/640638188.db2.gz VJSUHSSSAHLLJL-QLFBSQMISA-N 1 1 272.392 3.455 20 30 CGEDMO CC#CCC[N@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C ZINC000248388250 640753705 /nfs/dbraw/zinc/75/37/05/640753705.db2.gz DHZQUFWZVASCCL-INMHGKMJSA-N 1 1 257.377 3.250 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCCCCC1 ZINC001017396740 640863942 /nfs/dbraw/zinc/86/39/42/640863942.db2.gz OSEYHQCTWVADNU-CALCHBBNSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCCCCC1 ZINC001017396740 640863943 /nfs/dbraw/zinc/86/39/43/640863943.db2.gz OSEYHQCTWVADNU-CALCHBBNSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253085976 640870840 /nfs/dbraw/zinc/87/08/40/640870840.db2.gz AEQVECBEGIYEJA-BFHYXJOUSA-N 1 1 257.805 3.145 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2cc(C)cs2)C1 ZINC001007299880 640941202 /nfs/dbraw/zinc/94/12/02/640941202.db2.gz RYPKNIVFFKOWFC-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C2CCC(=C)CC2)C1 ZINC001008423232 640950968 /nfs/dbraw/zinc/95/09/68/640950968.db2.gz QFSDWQHCJBPHGV-QGZVFWFLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CC(=C)C)C2)cc1 ZINC001008620164 640953356 /nfs/dbraw/zinc/95/33/56/640953356.db2.gz GURLYSCXHAEHJU-QGZVFWFLSA-N 1 1 284.403 3.100 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001009604407 640960422 /nfs/dbraw/zinc/96/04/22/640960422.db2.gz TZPPDMDYNSDSMK-FUHWJXTLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C2(C)CCC(C)CC2)C1 ZINC001009692951 640961525 /nfs/dbraw/zinc/96/15/25/640961525.db2.gz UBQUFLWWRBTLLF-UPTPFMHGSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C2CC(C)(C)CC(C)(C)C2)C1 ZINC001015399140 640979212 /nfs/dbraw/zinc/97/92/12/640979212.db2.gz UADFLZZLEZTEDK-OAHLLOKOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc(Cl)cc2C)C1 ZINC001015649130 640983272 /nfs/dbraw/zinc/98/32/72/640983272.db2.gz PHBRNIHMNKOMCB-CQSZACIVSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)C=CCC3)C1 ZINC001015834934 640986918 /nfs/dbraw/zinc/98/69/18/640986918.db2.gz NRTLAGNHJPNHII-SFHVURJKSA-N 1 1 296.414 3.026 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2c(C)csc2Cl)C1 ZINC001016111857 640993149 /nfs/dbraw/zinc/99/31/49/640993149.db2.gz VHDTVRYIBBCZNO-NSHDSACASA-N 1 1 298.839 3.090 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cc3cc(C)ccc3o2)C1 ZINC001016338196 640995463 /nfs/dbraw/zinc/99/54/63/640995463.db2.gz XIMJCPDJAMSTAT-OAHLLOKOSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C1CCC1 ZINC001017655738 641015087 /nfs/dbraw/zinc/01/50/87/641015087.db2.gz IOLTZTYONXDZFH-OIISXLGYSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CCC[C@H]1CC ZINC001017663692 641015304 /nfs/dbraw/zinc/01/53/04/641015304.db2.gz WQDSLLLQIXWQIF-CBZIJGRNSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CCC[C@H]1CC ZINC001017663692 641015308 /nfs/dbraw/zinc/01/53/08/641015308.db2.gz WQDSLLLQIXWQIF-CBZIJGRNSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CCC[C@H]1C ZINC001017904260 641018825 /nfs/dbraw/zinc/01/88/25/641018825.db2.gz HMIXARVBTWBIOO-CBZIJGRNSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@]1(C)CCC[C@H]1C ZINC001017904260 641018827 /nfs/dbraw/zinc/01/88/27/641018827.db2.gz HMIXARVBTWBIOO-CBZIJGRNSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)CC(C)C ZINC001156041627 805645015 /nfs/dbraw/zinc/64/50/15/805645015.db2.gz QZMVSXCIZFWZMV-HUUCEWRRSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc2c(c1)CCC=C2 ZINC001156416137 805687799 /nfs/dbraw/zinc/68/77/99/805687799.db2.gz VGOZYQKCVLLLSF-OAHLLOKOSA-N 1 1 298.430 3.272 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1cc(C)c(C)s1 ZINC001156792428 805737428 /nfs/dbraw/zinc/73/74/28/805737428.db2.gz QPYLQCGSBGMWAB-CYBMUJFWSA-N 1 1 294.464 3.381 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H]1CCCCC1(C)C ZINC001157347960 805796952 /nfs/dbraw/zinc/79/69/52/805796952.db2.gz YNAFHYJTXJDDRN-CVEARBPZSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1C=CCC1 ZINC001157498960 805825009 /nfs/dbraw/zinc/82/50/09/805825009.db2.gz SAPNFGDXJYCMQW-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@H]1C=CCC1 ZINC001157498959 805825269 /nfs/dbraw/zinc/82/52/69/805825269.db2.gz SAPNFGDXJYCMQW-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CCC1 ZINC001157710595 805856570 /nfs/dbraw/zinc/85/65/70/805856570.db2.gz IQSDDIWRCOWGAH-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H](C)CC ZINC001157892940 805901048 /nfs/dbraw/zinc/90/10/48/805901048.db2.gz UJTSBFCJMXQMLG-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)C[C@H](C)CC ZINC001157902630 805901673 /nfs/dbraw/zinc/90/16/73/805901673.db2.gz LEAAICCCJHLSAD-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCF ZINC001158019160 805915473 /nfs/dbraw/zinc/91/54/73/805915473.db2.gz RUMYCHSWXILWJJ-OAHLLOKOSA-N 1 1 284.419 3.015 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H]1C=CCCC1 ZINC001158113827 805923012 /nfs/dbraw/zinc/92/30/12/805923012.db2.gz XCDUSFGOLSCOJO-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001158173704 805925831 /nfs/dbraw/zinc/92/58/31/805925831.db2.gz UDVOMHAJJYTQFY-CVEARBPZSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)C/C=C(/C)C=C ZINC001158350678 805944102 /nfs/dbraw/zinc/94/41/02/805944102.db2.gz WURWQWPYGXWIIP-ZFOVBUMHSA-N 1 1 290.451 3.398 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC(=C)C ZINC001158370174 805946337 /nfs/dbraw/zinc/94/63/37/805946337.db2.gz QJAJVQBYPLPWDJ-IAGOWNOFSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC(=C)Cl ZINC001158418928 805953695 /nfs/dbraw/zinc/95/36/95/805953695.db2.gz DISPTBDCNQLSMB-OAHLLOKOSA-N 1 1 298.858 3.408 20 30 CGEDMO C=CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)CC(=C)Cl ZINC001158418928 805953699 /nfs/dbraw/zinc/95/36/99/805953699.db2.gz DISPTBDCNQLSMB-OAHLLOKOSA-N 1 1 298.858 3.408 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[C@@H](C)CC ZINC001158631641 805979018 /nfs/dbraw/zinc/97/90/18/805979018.db2.gz VPHQEAKMOOQWNL-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CC[C@@H](C)[C@@](C)(O)C1 ZINC001252122948 806009118 /nfs/dbraw/zinc/00/91/18/806009118.db2.gz AQWQYPVWAYBXDX-IKGGRYGDSA-N 1 1 285.472 3.191 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001252122448 806009623 /nfs/dbraw/zinc/00/96/23/806009623.db2.gz VPODMDLANJJRJJ-XHSDSOJGSA-N 1 1 271.445 3.207 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@@H]2CN(C)C[C@H]21 ZINC001252130419 806014852 /nfs/dbraw/zinc/01/48/52/806014852.db2.gz PZPMANZQEVDNEI-FGTMMUONSA-N 1 1 296.499 3.124 20 30 CGEDMO CCCCCCCC[C@H](O)CN1CCC[C@@H]2C[N@H+](C)C[C@H]21 ZINC001252130419 806014860 /nfs/dbraw/zinc/01/48/60/806014860.db2.gz PZPMANZQEVDNEI-FGTMMUONSA-N 1 1 296.499 3.124 20 30 CGEDMO CCCCCCCC[C@H](O)CN1CCC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC001252130419 806014871 /nfs/dbraw/zinc/01/48/71/806014871.db2.gz PZPMANZQEVDNEI-FGTMMUONSA-N 1 1 296.499 3.124 20 30 CGEDMO CCCCCCCC[C@H](O)C[NH2+][C@@H]1CCN(C)C[C@@H]1C ZINC001252141959 806025828 /nfs/dbraw/zinc/02/58/28/806025828.db2.gz QTROEQFTWMQMIB-YESZJQIVSA-N 1 1 284.488 3.028 20 30 CGEDMO C=CCCCCC[N@@H+]1CC=C(CCNC(=O)CC)CC1 ZINC001159016316 806031553 /nfs/dbraw/zinc/03/15/53/806031553.db2.gz QZIXUQFRELDHHM-UHFFFAOYSA-N 1 1 278.440 3.281 20 30 CGEDMO C=CCOC[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC001252464797 806048209 /nfs/dbraw/zinc/04/82/09/806048209.db2.gz AFNIJXGTSJTOLB-JKSUJKDBSA-N 1 1 295.810 3.040 20 30 CGEDMO C=C[C@@](C)(O)C[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC001252541934 806058833 /nfs/dbraw/zinc/05/88/33/806058833.db2.gz WZEMMFDNDKQNHU-MRXNPFEDSA-N 1 1 277.795 3.366 20 30 CGEDMO C=C[C@](C)(O)C[N@H+](C)[C@@H](C)c1cccc(Br)c1 ZINC001252556500 806064807 /nfs/dbraw/zinc/06/48/07/806064807.db2.gz HLQCFCRQIAHVPR-FZMZJTMJSA-N 1 1 298.224 3.379 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CCNC(=O)CCCC)CC1 ZINC001159287136 806074809 /nfs/dbraw/zinc/07/48/09/806074809.db2.gz VLCQZCADAADRNT-UHFFFAOYSA-N 1 1 278.440 3.281 20 30 CGEDMO C=CCC[C@H](O)CNc1ccc2c(C)cc[nH+]c2c1 ZINC001252608839 806087106 /nfs/dbraw/zinc/08/71/06/806087106.db2.gz IYRYRPIPXIMDTH-AWEZNQCLSA-N 1 1 256.349 3.282 20 30 CGEDMO C=CCCCC[N@H+](C)C[C@@H](O)c1ccc(F)cc1 ZINC001252849536 806130867 /nfs/dbraw/zinc/13/08/67/806130867.db2.gz JEZQJSJRVYJYRA-OAHLLOKOSA-N 1 1 251.345 3.147 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[N@H+]1CC[C@](C)(O)C1 ZINC001252979285 806144265 /nfs/dbraw/zinc/14/42/65/806144265.db2.gz JPAGNSFCVCAKEJ-SJORKVTESA-N 1 1 285.472 3.335 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCCC(=O)[C@@H](C)C1 ZINC001253233864 806188307 /nfs/dbraw/zinc/18/83/07/806188307.db2.gz PHIBCUXKLJAPHZ-JKSUJKDBSA-N 1 1 281.440 3.175 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCCCC12COC2 ZINC001253239959 806190208 /nfs/dbraw/zinc/19/02/08/806190208.db2.gz WJJPTWDBBFYJQP-INIZCTEOSA-N 1 1 281.440 3.129 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCc2[nH]ccc2C1 ZINC001253242553 806191554 /nfs/dbraw/zinc/19/15/54/806191554.db2.gz NEYPCADPXMUEAR-INIZCTEOSA-N 1 1 276.424 3.260 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C ZINC001253240407 806192106 /nfs/dbraw/zinc/19/21/06/806192106.db2.gz KPXCPKBHOAQJLH-SQNIBIBYSA-N 1 1 294.483 3.042 20 30 CGEDMO C=CCCCCCC[C@H](O)CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001253240407 806192111 /nfs/dbraw/zinc/19/21/11/806192111.db2.gz KPXCPKBHOAQJLH-SQNIBIBYSA-N 1 1 294.483 3.042 20 30 CGEDMO C=CCCCCCC[C@H](O)CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001253240407 806192117 /nfs/dbraw/zinc/19/21/17/806192117.db2.gz KPXCPKBHOAQJLH-SQNIBIBYSA-N 1 1 294.483 3.042 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@H](OC)C[C@H]1C ZINC001253241763 806192951 /nfs/dbraw/zinc/19/29/51/806192951.db2.gz DABRAVVDNPUZHM-IKGGRYGDSA-N 1 1 283.456 3.373 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)C(C)(C)C)CC1 ZINC001160491347 806278992 /nfs/dbraw/zinc/27/89/92/806278992.db2.gz CMHXGTYDSVTKDK-OAHLLOKOSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)C/C=C(\C)C=C)CC1 ZINC001160923422 806323216 /nfs/dbraw/zinc/32/32/16/806323216.db2.gz VMMFVECWYJRUAL-FRKPEAEDSA-N 1 1 288.435 3.223 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1CNc1c(Cl)ccnc1Cl ZINC001160953065 806326317 /nfs/dbraw/zinc/32/63/17/806326317.db2.gz PDQWMBXLYWDLRK-JTQLQIEISA-N 1 1 286.206 3.451 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1c(Cl)ccnc1Cl ZINC001160953065 806326327 /nfs/dbraw/zinc/32/63/27/806326327.db2.gz PDQWMBXLYWDLRK-JTQLQIEISA-N 1 1 286.206 3.451 20 30 CGEDMO C=C[C@@H](C)[C@@H](C)C(=O)NCCC1=CC[N@@H+](CC(=C)C)CC1 ZINC001160940285 806326764 /nfs/dbraw/zinc/32/67/64/806326764.db2.gz AUBSJYSKMNEBTC-HZPDHXFCSA-N 1 1 290.451 3.159 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1nccc2cc(OC)ccc21 ZINC001160953235 806328033 /nfs/dbraw/zinc/32/80/33/806328033.db2.gz YFGDEMPXMHEXPA-HNNXBMFYSA-N 1 1 297.402 3.306 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCCC1=CC[N@@H+](CCCF)CC1 ZINC001161116724 806349971 /nfs/dbraw/zinc/34/99/71/806349971.db2.gz PQXRUIQBQDHNTC-QGZVFWFLSA-N 1 1 296.430 3.087 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[C@H](C)C2)CC1 ZINC001161390836 806372209 /nfs/dbraw/zinc/37/22/09/806372209.db2.gz LEEPXGMQEWHRIC-RDJZCZTQSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)CCC2(C)CC2)CC1 ZINC001161628001 806405394 /nfs/dbraw/zinc/40/53/94/806405394.db2.gz ZXLQOQHIDGXPSZ-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CCNC(=O)C(C)(C)C)CC1 ZINC001161758498 806447384 /nfs/dbraw/zinc/44/73/84/806447384.db2.gz CHKJTUCVJULYLL-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C#N)CC1 ZINC001254559487 806449436 /nfs/dbraw/zinc/44/94/36/806449436.db2.gz KBYNKSCNCZNKRF-KGLIPLIRSA-N 1 1 287.363 3.151 20 30 CGEDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](CC#N)C1 ZINC001254558490 806449605 /nfs/dbraw/zinc/44/96/05/806449605.db2.gz BTBDNCNRPNQPBM-KGLIPLIRSA-N 1 1 287.363 3.151 20 30 CGEDMO N#C[C@H]1CC[C@H]([NH2+]Cc2c(F)ccc(Cl)c2F)C1 ZINC001254635909 806465237 /nfs/dbraw/zinc/46/52/37/806465237.db2.gz GOEJISXAXXYETE-IUCAKERBSA-N 1 1 270.710 3.400 20 30 CGEDMO N#C[C@H]1CC[C@@H]([NH+](Cc2cccnc2)Cc2cccnc2)C1 ZINC001254667750 806479641 /nfs/dbraw/zinc/47/96/41/806479641.db2.gz DETYEGLCRFYQEC-MAUKXSAKSA-N 1 1 292.386 3.171 20 30 CGEDMO CC[N@@H+](Cc1cccc(F)c1F)[C@H]1CC[C@H](C#N)C1 ZINC001254670285 806479852 /nfs/dbraw/zinc/47/98/52/806479852.db2.gz AICAUKWRPALPGT-AAEUAGOBSA-N 1 1 264.319 3.479 20 30 CGEDMO Cc1ccccc1O[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC001254668728 806479898 /nfs/dbraw/zinc/47/98/98/806479898.db2.gz KNKFPCJDPISLAY-OWCLPIDISA-N 1 1 270.376 3.140 20 30 CGEDMO C[N@@H+](Cc1cccc2cccnc21)[C@@H]1CC[C@@H](C#N)C1 ZINC001254668811 806480255 /nfs/dbraw/zinc/48/02/55/806480255.db2.gz LPALBJZDPMAHIF-CZUORRHYSA-N 1 1 265.360 3.359 20 30 CGEDMO C[C@]1(c2ccc(F)cc2)C[N@@H+]([C@H]2CC[C@@H](C#N)C2)CCO1 ZINC001254671618 806482117 /nfs/dbraw/zinc/48/21/17/806482117.db2.gz SMCYLHTWCJYELA-XOKHGSTOSA-N 1 1 288.366 3.065 20 30 CGEDMO C[C@]1(c2ccc(F)cc2)C[N@H+]([C@H]2CC[C@@H](C#N)C2)CCO1 ZINC001254671618 806482119 /nfs/dbraw/zinc/48/21/19/806482119.db2.gz SMCYLHTWCJYELA-XOKHGSTOSA-N 1 1 288.366 3.065 20 30 CGEDMO N#CC1(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCCCC1 ZINC001255099584 806543718 /nfs/dbraw/zinc/54/37/18/806543718.db2.gz JKVKKMGYYJJLPM-GOSISDBHSA-N 1 1 297.446 3.467 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(OC)c(C(F)(F)F)c1 ZINC001255156759 806557133 /nfs/dbraw/zinc/55/71/33/806557133.db2.gz RTJPACXWPQHOFL-LLVKDONJSA-N 1 1 286.297 3.496 20 30 CGEDMO CC[C@@H](CC#N)[N@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC001255164333 806561279 /nfs/dbraw/zinc/56/12/79/806561279.db2.gz JOURMCAIXOJOIG-KGLIPLIRSA-N 1 1 258.365 3.177 20 30 CGEDMO CC[C@@H](CC#N)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC001255172670 806565173 /nfs/dbraw/zinc/56/51/73/806565173.db2.gz DSVIFMQBXLYISU-KRWDZBQOSA-N 1 1 289.398 3.026 20 30 CGEDMO CC[C@@H](CC#N)[N@@H+]1CCC[C@H](Oc2cccc(OC)c2)C1 ZINC001255172938 806566812 /nfs/dbraw/zinc/56/68/12/806566812.db2.gz UDOWCJWTEFPHHV-YOEHRIQHSA-N 1 1 288.391 3.231 20 30 CGEDMO CC[C@@H](CC#N)[N@H+]1CCC[C@H](Oc2cccc(OC)c2)C1 ZINC001255172938 806566815 /nfs/dbraw/zinc/56/68/15/806566815.db2.gz UDOWCJWTEFPHHV-YOEHRIQHSA-N 1 1 288.391 3.231 20 30 CGEDMO CC[C@@H](CC#N)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001255174427 806568233 /nfs/dbraw/zinc/56/82/33/806568233.db2.gz XCXGKWBPZDSQOD-OALUTQOASA-N 1 1 297.446 3.277 20 30 CGEDMO CC[C@@H](CC#N)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC001255174430 806569445 /nfs/dbraw/zinc/56/94/45/806569445.db2.gz XCXGKWBPZDSQOD-RBUKOAKNSA-N 1 1 297.446 3.277 20 30 CGEDMO CC[C@H](CC#N)[N@@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001255177294 806570725 /nfs/dbraw/zinc/57/07/25/806570725.db2.gz PPCIFBFXQLVXDV-WBVHZDCISA-N 1 1 283.375 3.094 20 30 CGEDMO CC[C@H](CC#N)[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001255177294 806570728 /nfs/dbraw/zinc/57/07/28/806570728.db2.gz PPCIFBFXQLVXDV-WBVHZDCISA-N 1 1 283.375 3.094 20 30 CGEDMO C=CCCCC[N@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)OCC ZINC001255214087 806578283 /nfs/dbraw/zinc/57/82/83/806578283.db2.gz LVGSLIHDCOMQDW-MUJYYYPQSA-N 1 1 294.439 3.426 20 30 CGEDMO CC1(C)CCC([N@H+]2CCC3SC(=O)C=C3C2)CC1 ZINC001255303859 806601403 /nfs/dbraw/zinc/60/14/03/806601403.db2.gz BZHPFIAPPYUJPA-CYBMUJFWSA-N 1 1 265.422 3.229 20 30 CGEDMO C[C@H](CC(F)(F)F)[N@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001255646375 806693036 /nfs/dbraw/zinc/69/30/36/806693036.db2.gz NQQOZKXNMSSAGA-BWZBUEFSSA-N 1 1 281.215 3.407 20 30 CGEDMO CS[C@H]1CC[C@@H]([N@@H+](C)CCOc2cccc(C#N)c2)C1 ZINC000075922347 798923903 /nfs/dbraw/zinc/92/39/03/798923903.db2.gz RHPCMCQYLXRXHT-ZBFHGGJFSA-N 1 1 290.432 3.153 20 30 CGEDMO C[C@@H]([NH2+]CC(C)(C)C#N)c1cnn(-c2ccccc2)c1 ZINC000122256637 798990826 /nfs/dbraw/zinc/99/08/26/798990826.db2.gz MIJOTPXEVFCDRD-CYBMUJFWSA-N 1 1 268.364 3.073 20 30 CGEDMO CC[C@H](C[NH2+]C1CC(C#N)(c2ccccc2)C1)N1CCCC1 ZINC000125825842 799003347 /nfs/dbraw/zinc/00/33/47/799003347.db2.gz PNMQOIBDXBAAFI-JLAWEPINSA-N 1 1 297.446 3.074 20 30 CGEDMO C#CCCC1(CCNc2[nH+]cnc3c2ccn3C(C)C)N=N1 ZINC001163381408 806756086 /nfs/dbraw/zinc/75/60/86/806756086.db2.gz XIJZBQDPPVQPHI-UHFFFAOYSA-N 1 1 296.378 3.390 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC1(C#N)CCC1 ZINC000450750395 799625446 /nfs/dbraw/zinc/62/54/46/799625446.db2.gz AUYZGCAGEAYKFE-SJLPKXTDSA-N 1 1 297.446 3.180 20 30 CGEDMO CCCCCCCN1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000697746291 799848937 /nfs/dbraw/zinc/84/89/37/799848937.db2.gz DQYCVPPUGATPII-OLZOCXBDSA-N 1 1 280.378 3.416 20 30 CGEDMO N#Cc1ccc(OCCC[N@H+]2CCC[C@H]2C2CC2)cc1 ZINC000706660688 799964540 /nfs/dbraw/zinc/96/45/40/799964540.db2.gz KKKGHODQOCCSST-KRWDZBQOSA-N 1 1 270.376 3.202 20 30 CGEDMO C[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2C#N)C1 ZINC000708721838 799993517 /nfs/dbraw/zinc/99/35/17/799993517.db2.gz ZEHAAQWBMREGIH-CYBMUJFWSA-N 1 1 268.282 3.333 20 30 CGEDMO C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000708721838 799993519 /nfs/dbraw/zinc/99/35/19/799993519.db2.gz ZEHAAQWBMREGIH-CYBMUJFWSA-N 1 1 268.282 3.333 20 30 CGEDMO Cc1ccc(C[N@@H+](CCC#N)CC(C)C)cc1[N+](=O)[O-] ZINC000714059466 800117203 /nfs/dbraw/zinc/11/72/03/800117203.db2.gz CTTVZSPUFRYVAZ-UHFFFAOYSA-N 1 1 275.352 3.275 20 30 CGEDMO Cc1ccc(C[N@H+](CCC#N)CC(C)C)cc1[N+](=O)[O-] ZINC000714059466 800117210 /nfs/dbraw/zinc/11/72/10/800117210.db2.gz CTTVZSPUFRYVAZ-UHFFFAOYSA-N 1 1 275.352 3.275 20 30 CGEDMO C[C@H]1CC(C[N@@H+](C)Cc2cccc(C#N)c2)C[C@H](C)O1 ZINC000724868849 800368615 /nfs/dbraw/zinc/36/86/15/800368615.db2.gz UNHQJWJTICCLQR-KBPBESRZSA-N 1 1 272.392 3.194 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)cc1 ZINC000809548727 800444693 /nfs/dbraw/zinc/44/46/93/800444693.db2.gz OQXPWLMCISDOQO-OAHLLOKOSA-N 1 1 297.320 3.211 20 30 CGEDMO C#Cc1ccc(C[N@H+](Cc2ccccc2)C[C@H](C)O)cc1 ZINC000809549261 800445084 /nfs/dbraw/zinc/44/50/84/800445084.db2.gz IAFFDCWZDHRVSH-INIZCTEOSA-N 1 1 279.383 3.051 20 30 CGEDMO C[N@H+](CCOCc1ccccc1)Cc1csc(C#N)c1 ZINC000892223909 800566518 /nfs/dbraw/zinc/56/65/18/800566518.db2.gz NLWFRBMKBJJBHI-UHFFFAOYSA-N 1 1 286.400 3.268 20 30 CGEDMO C[N@@H+](CCOCc1ccccc1)Cc1csc(C#N)c1 ZINC000892223909 800566525 /nfs/dbraw/zinc/56/65/25/800566525.db2.gz NLWFRBMKBJJBHI-UHFFFAOYSA-N 1 1 286.400 3.268 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000930923031 800652230 /nfs/dbraw/zinc/65/22/30/800652230.db2.gz FWQZVNYPPZQTAE-AVGNSLFASA-N 1 1 290.329 3.112 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@@H]1CC2(CCC2)CO1 ZINC000933771129 800676006 /nfs/dbraw/zinc/67/60/06/800676006.db2.gz VTMFKAWEXXIZAQ-ZDUSSCGKSA-N 1 1 276.405 3.011 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000934458970 800677815 /nfs/dbraw/zinc/67/78/15/800677815.db2.gz GWTSVYUJSSAAIF-KGLIPLIRSA-N 1 1 285.309 3.389 20 30 CGEDMO C=CC[C@@H]1CCN1Cc1cncc(C[N@@H+]2CC[C@H]2CC=C)c1 ZINC000934459276 800679032 /nfs/dbraw/zinc/67/90/32/800679032.db2.gz HPCCJCLRHLGPPJ-RTBURBONSA-N 1 1 297.446 3.382 20 30 CGEDMO C=CC[C@@H]1CCN1Cc1cncc(C[N@H+]2CC[C@H]2CC=C)c1 ZINC000934459276 800679036 /nfs/dbraw/zinc/67/90/36/800679036.db2.gz HPCCJCLRHLGPPJ-RTBURBONSA-N 1 1 297.446 3.382 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001023714867 800715623 /nfs/dbraw/zinc/71/56/23/800715623.db2.gz WDHMNFDAIOKFKI-BRWVUGGUSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(CC)s1 ZINC001024540322 800729650 /nfs/dbraw/zinc/72/96/50/800729650.db2.gz JPTWCHRWSNTFGM-CYBMUJFWSA-N 1 1 292.448 3.081 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001024641241 800733609 /nfs/dbraw/zinc/73/36/09/800733609.db2.gz IBHIZGPNZLEGPM-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001024642086 800734042 /nfs/dbraw/zinc/73/40/42/800734042.db2.gz QCNPZDBPWMLLNC-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)C1CC2(CC2)C1 ZINC001024645091 800734266 /nfs/dbraw/zinc/73/42/66/800734266.db2.gz DKFMACRLRAXFCY-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c(C)cccc1C ZINC001024670386 800735849 /nfs/dbraw/zinc/73/58/49/800735849.db2.gz OXWPUFNLZNVWMS-MRXNPFEDSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)c1ccccc1 ZINC001025191484 800746799 /nfs/dbraw/zinc/74/67/99/800746799.db2.gz JQUWXRMGJPQSDD-ROUUACIJSA-N 1 1 298.430 3.332 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)C ZINC001025294020 800752878 /nfs/dbraw/zinc/75/28/78/800752878.db2.gz WFCQMTVZRDMHEU-HZPDHXFCSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cccc(C)c2)C1 ZINC001025330121 800757219 /nfs/dbraw/zinc/75/72/19/800757219.db2.gz VHNLJSZYPVORTR-WBVHZDCISA-N 1 1 286.419 3.011 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001025379775 800759339 /nfs/dbraw/zinc/75/93/39/800759339.db2.gz UYXXPOHRCNXADB-UONOGXRCSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CCC=CCC2)C1 ZINC001025623325 800764033 /nfs/dbraw/zinc/76/40/33/800764033.db2.gz AYMFDNHLRRBTAM-NVXWUHKLSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(C)cc2)C1 ZINC001025603897 800764574 /nfs/dbraw/zinc/76/45/74/800764574.db2.gz YXPBTPJUSXASQN-DOTOQJQBSA-N 1 1 286.419 3.011 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001027411102 800794961 /nfs/dbraw/zinc/79/49/61/800794961.db2.gz MFYTWMPOEVNPBP-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C23CCC(CC2)C3)C1 ZINC001027465832 800797885 /nfs/dbraw/zinc/79/78/85/800797885.db2.gz QLTAEIQNTVUKJQ-PQUAAJSLSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C2(C3CC3)CCC2)C1 ZINC001027509254 800800483 /nfs/dbraw/zinc/80/04/83/800800483.db2.gz VSPDUTWENCRMEX-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC2(C)C)C1 ZINC001027536415 800801292 /nfs/dbraw/zinc/80/12/92/800801292.db2.gz QRLUDBIANOSGNQ-UONOGXRCSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC2(C)C)C1 ZINC001027536415 800801300 /nfs/dbraw/zinc/80/13/00/800801300.db2.gz QRLUDBIANOSGNQ-UONOGXRCSA-N 1 1 298.858 3.098 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccccc2Cl)C1 ZINC001027659147 800810039 /nfs/dbraw/zinc/81/00/39/800810039.db2.gz DLNNREOQTQRLOG-CYBMUJFWSA-N 1 1 292.810 3.062 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H]1CNC(=O)C1CCCCCC1 ZINC001027778612 800820054 /nfs/dbraw/zinc/82/00/54/800820054.db2.gz QTKQHZANPUNCQH-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC2(CC2)C1 ZINC001027882464 800823741 /nfs/dbraw/zinc/82/37/41/800823741.db2.gz OTBQKAPDTMIINW-JKSUJKDBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)oc2ccccc21 ZINC001027902772 800826578 /nfs/dbraw/zinc/82/65/78/800826578.db2.gz VURMIKYFURXZOK-AWEZNQCLSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CC[C@@H](C)F)CC1 ZINC001028116078 800832021 /nfs/dbraw/zinc/83/20/21/800832021.db2.gz BVGSBVDJBDNQNC-ZBFHGGJFSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2ccccc2c1 ZINC001028278983 800837206 /nfs/dbraw/zinc/83/72/06/800837206.db2.gz HEEMMYUZZCVEPO-GOSISDBHSA-N 1 1 294.398 3.220 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C2CC2)cc1 ZINC001028329945 800841942 /nfs/dbraw/zinc/84/19/42/800841942.db2.gz WFXHJMCHINIWSI-GOSISDBHSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)c2ccc(C)s2)C1 ZINC001028378006 800846614 /nfs/dbraw/zinc/84/66/14/800846614.db2.gz MCGLOIMBAUUNMF-CQSZACIVSA-N 1 1 292.448 3.074 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)c2cscc2Cl)C1 ZINC001028614848 800851171 /nfs/dbraw/zinc/85/11/71/800851171.db2.gz DGFOIPYQJLLKAK-NSHDSACASA-N 1 1 298.839 3.029 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001028784441 800851722 /nfs/dbraw/zinc/85/17/22/800851722.db2.gz YPISBWYSKWVPIU-KGLIPLIRSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001028784441 800851724 /nfs/dbraw/zinc/85/17/24/800851724.db2.gz YPISBWYSKWVPIU-KGLIPLIRSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001028938412 800856247 /nfs/dbraw/zinc/85/62/47/800856247.db2.gz OHQYTOPABFQDMD-QEJZJMRPSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001028938412 800856253 /nfs/dbraw/zinc/85/62/53/800856253.db2.gz OHQYTOPABFQDMD-QEJZJMRPSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC001032606229 800931529 /nfs/dbraw/zinc/93/15/29/800931529.db2.gz QDOPQLLJKFUPDX-JENIJYKNSA-N 1 1 298.430 3.074 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC001032606229 800931532 /nfs/dbraw/zinc/93/15/32/800931532.db2.gz QDOPQLLJKFUPDX-JENIJYKNSA-N 1 1 298.430 3.074 20 30 CGEDMO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC(C)(C)C)C1 ZINC001032614670 800932756 /nfs/dbraw/zinc/93/27/56/800932756.db2.gz WOEVAHQUTHMMQC-GJZGRUSLSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(CC)(CC)CC ZINC001032703490 800934587 /nfs/dbraw/zinc/93/45/87/800934587.db2.gz WYWOGUBFUHBXCD-HOTGVXAUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC1CCCCC1 ZINC001032762031 800937093 /nfs/dbraw/zinc/93/70/93/800937093.db2.gz UEGLUYORXFGWBB-IRXDYDNUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001033076779 800951988 /nfs/dbraw/zinc/95/19/88/800951988.db2.gz OVVUWWFSMLXRDI-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc3ccccc3o2)C1 ZINC001033640058 800971761 /nfs/dbraw/zinc/97/17/61/800971761.db2.gz PHTBQHCYCJTYFW-HNNXBMFYSA-N 1 1 298.386 3.155 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(C)c(C)o2)C1 ZINC001033802888 800983907 /nfs/dbraw/zinc/98/39/07/800983907.db2.gz OHXZCRVXQNLUBN-OAHLLOKOSA-N 1 1 290.407 3.009 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)C2=CCCCCC2)C1 ZINC001033806868 800984026 /nfs/dbraw/zinc/98/40/26/800984026.db2.gz JGSHSVFGDHWETK-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC23CCCC3)C1 ZINC001034016298 800993471 /nfs/dbraw/zinc/99/34/71/800993471.db2.gz HHQGCXIVIZTVJU-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccsc2Cl)C1 ZINC001033981084 800993556 /nfs/dbraw/zinc/99/35/56/800993556.db2.gz PBSTUSIYZGSRCL-LLVKDONJSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)C2CC(C(C)(C)C)C2)C1 ZINC001034051733 800997462 /nfs/dbraw/zinc/99/74/62/800997462.db2.gz ZSNMEHISWOPERB-GPANFISMSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@H+]1CCCC[C@@H](NC(=O)CC2CCCCC2)C1 ZINC001034092690 801004152 /nfs/dbraw/zinc/00/41/52/801004152.db2.gz RULNESZNXJBSCL-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2oc(C)cc2C)C1 ZINC001034160211 801008711 /nfs/dbraw/zinc/00/87/11/801008711.db2.gz OKYIDLRNCKBHON-HNNXBMFYSA-N 1 1 290.407 3.057 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2sccc2F)C1 ZINC001034193524 801008945 /nfs/dbraw/zinc/00/89/45/801008945.db2.gz AYQQLFVAQQOLAH-GFCCVEGCSA-N 1 1 296.411 3.048 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@H](NC(=O)C2=CCCCCC2)C1 ZINC001034176827 801009738 /nfs/dbraw/zinc/00/97/38/801009738.db2.gz YRBIAGJIHBNIEX-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2ccsc2C)C1 ZINC001034207487 801010215 /nfs/dbraw/zinc/01/02/15/801010215.db2.gz LPSGRYDOHYQZSN-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CC[N@H+]1CCCC[C@@H](NC(=O)c2ccc3occc3c2)C1 ZINC001034226348 801012132 /nfs/dbraw/zinc/01/21/32/801012132.db2.gz RDADMQJBFGJCEB-MRXNPFEDSA-N 1 1 298.386 3.203 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)C2(C)CCC2)C1 ZINC001034353644 801019646 /nfs/dbraw/zinc/01/96/46/801019646.db2.gz YCIUCLHGBIVRDC-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@H+](C[C@@H](C)CC)C2)C1 ZINC001034388689 801023303 /nfs/dbraw/zinc/02/33/03/801023303.db2.gz IVMYONGTFNPINT-GOEBONIOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@H+](C[C@@H](F)CC)C2)C1 ZINC001034388619 801023423 /nfs/dbraw/zinc/02/34/23/801023423.db2.gz HIJHYOLGKPLFKO-GJZGRUSLSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)C3CCCC3)CC[C@@H]21 ZINC001036622909 801083848 /nfs/dbraw/zinc/08/38/48/801083848.db2.gz SABBSIYJUHZZCG-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CC3CCCC3)CC[C@@H]21 ZINC001036633206 801085579 /nfs/dbraw/zinc/08/55/79/801085579.db2.gz YPFLUSGVBQGFRO-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(C)c3C)CC[C@H]21 ZINC001036883393 801092639 /nfs/dbraw/zinc/09/26/39/801092639.db2.gz CJJQTBASBPGERL-SJLPKXTDSA-N 1 1 298.430 3.026 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2CN(C(=O)c3c(C)cccc3C)CC[C@H]21 ZINC001036827299 801093759 /nfs/dbraw/zinc/09/37/59/801093759.db2.gz VUNDMHVEFRASTA-DLBZAZTESA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)C1=CCCCCC1 ZINC001038189134 801119664 /nfs/dbraw/zinc/11/96/64/801119664.db2.gz CUNNZPSNDCIJQF-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(Cl)c1C ZINC001038278405 801123144 /nfs/dbraw/zinc/12/31/44/801123144.db2.gz QMEUUTVIQDXNSF-CYBMUJFWSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1cccc(Cl)c1C ZINC001038278405 801123147 /nfs/dbraw/zinc/12/31/47/801123147.db2.gz QMEUUTVIQDXNSF-CYBMUJFWSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1C(C)C ZINC001038330747 801124050 /nfs/dbraw/zinc/12/40/50/801124050.db2.gz URQKNYXQWHVNDW-HNNXBMFYSA-N 1 1 286.419 3.190 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]1CNC(=O)C1CC(C)(C)CC(C)(C)C1 ZINC001038553114 801128450 /nfs/dbraw/zinc/12/84/50/801128450.db2.gz QJYKDYNLHQRMMZ-OAHLLOKOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CNC(=O)C1CC(C)(C)CC(C)(C)C1 ZINC001038553114 801128457 /nfs/dbraw/zinc/12/84/57/801128457.db2.gz QJYKDYNLHQRMMZ-OAHLLOKOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C)cc1Cl ZINC001038733705 801132323 /nfs/dbraw/zinc/13/23/23/801132323.db2.gz ZSXKDARJXCZMNZ-ZDUSSCGKSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1ccc(C)cc1Cl ZINC001038733705 801132326 /nfs/dbraw/zinc/13/23/26/801132326.db2.gz ZSXKDARJXCZMNZ-ZDUSSCGKSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C2CC2)cc1 ZINC001039044287 801141711 /nfs/dbraw/zinc/14/17/11/801141711.db2.gz YAFPMIZVYGFBDC-SFHVURJKSA-N 1 1 298.430 3.334 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C2=CCCC2)cc1 ZINC001039105957 801147350 /nfs/dbraw/zinc/14/73/50/801147350.db2.gz GFOSBTGLPBSPTC-SFHVURJKSA-N 1 1 296.414 3.244 20 30 CGEDMO C=CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C2=CCCC2)cc1 ZINC001039105957 801147351 /nfs/dbraw/zinc/14/73/51/801147351.db2.gz GFOSBTGLPBSPTC-SFHVURJKSA-N 1 1 296.414 3.244 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](C2CCN(C(=O)CCC)CC2)C1 ZINC001039095345 801148092 /nfs/dbraw/zinc/14/80/92/801148092.db2.gz DEADKQULLQYJNJ-HNNXBMFYSA-N 1 1 298.858 3.100 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(CC)(CC)CC ZINC001039456287 801162611 /nfs/dbraw/zinc/16/26/11/801162611.db2.gz ONVLGCOOLFGAAT-CVEARBPZSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)C1CC1 ZINC001039475087 801162964 /nfs/dbraw/zinc/16/29/64/801162964.db2.gz CYAHGTLAUPIPSF-UAGQMJEPSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C3(CC)CC3)C2)C1 ZINC001040379491 801176542 /nfs/dbraw/zinc/17/65/42/801176542.db2.gz KFTXCHAVSHCADY-QGZVFWFLSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C3(CC)CC3)C2)C1 ZINC001040377839 801176666 /nfs/dbraw/zinc/17/66/66/801176666.db2.gz ZYKUJMQECCXLLV-QGZVFWFLSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)CCC3CC3)C2)C1 ZINC001041151417 801186658 /nfs/dbraw/zinc/18/66/58/801186658.db2.gz CVJMWDLOLASXPN-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)CC3(C)CCCC3)C2)C1 ZINC001041256380 801188233 /nfs/dbraw/zinc/18/82/33/801188233.db2.gz VORNYEKGJAJBCT-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C)C(C)(C)C)C2)C1 ZINC001041406317 801190079 /nfs/dbraw/zinc/19/00/79/801190079.db2.gz BEMJKVYMMHJFBO-YJBOKZPZSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)CC)C2)C1 ZINC001041622843 801191784 /nfs/dbraw/zinc/19/17/84/801191784.db2.gz LGNYMJIHWPJZLU-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](CC(C)C)[C@@H]2C1 ZINC001042185237 801202444 /nfs/dbraw/zinc/20/24/44/801202444.db2.gz RANRYMKKSJJPOC-HZPDHXFCSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(C)cc3)C[C@H]21 ZINC001042333464 801205397 /nfs/dbraw/zinc/20/53/97/801205397.db2.gz AXZRILGYKZSQET-FUHWJXTLSA-N 1 1 298.430 3.108 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)c2ccc3occc3c2)C1 ZINC001046335518 801306942 /nfs/dbraw/zinc/30/69/42/801306942.db2.gz BGLZBSOSQPKJIO-GOSISDBHSA-N 1 1 298.386 3.203 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCC23CC3)C1 ZINC001046420858 801312922 /nfs/dbraw/zinc/31/29/22/801312922.db2.gz LYWCAJIFCKASRC-DOTOQJQBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C1CCC(C(=O)N[C@]2(C)CC[N@H+](C/C=C\Cl)C2)CC1 ZINC001046593828 801317149 /nfs/dbraw/zinc/31/71/49/801317149.db2.gz AUBOPBDNRBQTHD-QXQYKPFFSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C1CCC(C(=O)N[C@]2(C)CC[N@@H+](C/C=C\Cl)C2)CC1 ZINC001046593828 801317156 /nfs/dbraw/zinc/31/71/56/801317156.db2.gz AUBOPBDNRBQTHD-QXQYKPFFSA-N 1 1 296.842 3.066 20 30 CGEDMO C#CCC[N@@H+]1CC[C@](C)(NC(=O)c2cccc(C(C)C)c2)C1 ZINC001046749787 801324372 /nfs/dbraw/zinc/32/43/72/801324372.db2.gz PIFDAENVXZRXFB-IBGZPJMESA-N 1 1 298.430 3.028 20 30 CGEDMO C=CCn1ccc2c1nc[nH+]c2NCc1ccc(NC)cc1 ZINC001164151423 806902727 /nfs/dbraw/zinc/90/27/27/806902727.db2.gz VINNBYIFXZQGHE-UHFFFAOYSA-N 1 1 293.374 3.271 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC(C)(C)C ZINC001049326208 801364345 /nfs/dbraw/zinc/36/43/45/801364345.db2.gz JYJYKAZMEUOVKT-HZPDHXFCSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC(C)(C)C ZINC001049326206 801364504 /nfs/dbraw/zinc/36/45/04/801364504.db2.gz JYJYKAZMEUOVKT-CVEARBPZSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C=C1CCCCC1 ZINC001049365627 801367592 /nfs/dbraw/zinc/36/75/92/801367592.db2.gz ZQXKUSNGNNYSQM-IRXDYDNUSA-N 1 1 288.435 3.128 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C(C)(C)C1CCC1 ZINC001049619927 801378185 /nfs/dbraw/zinc/37/81/85/801378185.db2.gz XTZJELHKBYSARL-JKSUJKDBSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC ZINC001049639288 801380066 /nfs/dbraw/zinc/38/00/66/801380066.db2.gz OMCADGVHYUAXQG-GJZGRUSLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1ccccc1CC ZINC001049671432 801384317 /nfs/dbraw/zinc/38/43/17/801384317.db2.gz LHOLNKGHYRNOOY-ZWKOTPCHSA-N 1 1 298.430 3.114 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1(CC)CC1 ZINC001049697098 801384510 /nfs/dbraw/zinc/38/45/10/801384510.db2.gz IJMSVYFIMAEQLH-HZPDHXFCSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1(C(C)C)CC1 ZINC001049702454 801385655 /nfs/dbraw/zinc/38/56/55/801385655.db2.gz LPYUWYPXIOVARY-CVEARBPZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)c3cccc(C)c3)[C@@H]2C1 ZINC001049957925 801395966 /nfs/dbraw/zinc/39/59/66/801395966.db2.gz OKPSKAYTGNMHBE-ZWKOTPCHSA-N 1 1 298.430 3.108 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC=CCC2)CC1 ZINC001052196273 801425867 /nfs/dbraw/zinc/42/58/67/801425867.db2.gz WOBNHSWUDVDOSS-HUUCEWRRSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C2=CCCCCC2)CC1 ZINC001052335263 801430736 /nfs/dbraw/zinc/43/07/36/801430736.db2.gz WAJCTROVRBFGQA-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2sc(C)cc2C)CC1 ZINC001052418926 801434338 /nfs/dbraw/zinc/43/43/38/801434338.db2.gz YFIWXHBNLVJQOM-CQSZACIVSA-N 1 1 292.448 3.135 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](C/C=C\Cl)CC2)C1 ZINC001052693713 801448735 /nfs/dbraw/zinc/44/87/35/801448735.db2.gz XZZARXIUEQEUFI-ZBKLQPJUSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(Cl)c2)CC1 ZINC001052885925 801454944 /nfs/dbraw/zinc/45/49/44/801454944.db2.gz BIDGUSIFKNDUNW-HNNXBMFYSA-N 1 1 292.810 3.110 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)CC1 ZINC001052884372 801455074 /nfs/dbraw/zinc/45/50/74/801455074.db2.gz XQTHQHWFSWWCKY-BRWVUGGUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC)C1 ZINC001053059414 801464053 /nfs/dbraw/zinc/46/40/53/801464053.db2.gz TTZAICRLKXSSJA-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CCC1)C2 ZINC001054068688 801470116 /nfs/dbraw/zinc/47/01/16/801470116.db2.gz SJKUNJFOBMLSGE-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC1(C)CC1)C2 ZINC001054165941 801474588 /nfs/dbraw/zinc/47/45/88/801474588.db2.gz QRJNEPIQPBIFHM-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(C)CC1)C2 ZINC001054137974 801474871 /nfs/dbraw/zinc/47/48/71/801474871.db2.gz ZDUXXNRUQNFCNT-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)c3ccsc3)cc2C1 ZINC001054255315 801482430 /nfs/dbraw/zinc/48/24/30/801482430.db2.gz LDNJRBBJZRXXGA-UHFFFAOYSA-N 1 1 298.411 3.180 20 30 CGEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)c3ccsc3)cc2C1 ZINC001054255315 801482436 /nfs/dbraw/zinc/48/24/36/801482436.db2.gz LDNJRBBJZRXXGA-UHFFFAOYSA-N 1 1 298.411 3.180 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2ccccc2C)CC[C@H]1C ZINC001071319761 801527437 /nfs/dbraw/zinc/52/74/37/801527437.db2.gz UQFANJBKUFHOCW-HZPDHXFCSA-N 1 1 286.419 3.154 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C2CCCCC2)CC[C@@H]1C ZINC001071322631 801528307 /nfs/dbraw/zinc/52/83/07/801528307.db2.gz XUOQSVNXSQLGRF-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2occc2C)CC[C@@H]1C ZINC001071351895 801531614 /nfs/dbraw/zinc/53/16/14/801531614.db2.gz JVBFWSJRKUWHDX-GJZGRUSLSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(Cl)o2)CC[C@H]1C ZINC001071352170 801532069 /nfs/dbraw/zinc/53/20/69/801532069.db2.gz NQFMDWIJHCPVLM-NEPJUHHUSA-N 1 1 296.798 3.092 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C2C(C)(C)C2(C)C)CC[C@@H]1C ZINC001071413187 801535325 /nfs/dbraw/zinc/53/53/25/801535325.db2.gz CWAVFWGJBRRCIO-UONOGXRCSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)C2CCC(=C)CC2)CC[C@H]1C ZINC001071794800 801551731 /nfs/dbraw/zinc/55/17/31/801551731.db2.gz FQUAPNDKZLFPOC-NVXWUHKLSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CCC)C2)CC1 ZINC001071795375 801552403 /nfs/dbraw/zinc/55/24/03/801552403.db2.gz KFSHGMQZMLLUIH-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2csc(C)c2)CC[C@@H]1C ZINC001071895878 801556763 /nfs/dbraw/zinc/55/67/63/801556763.db2.gz BZKWFDLWWRHLPG-WFASDCNBSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC2(C1)CC[N@H+](C[C@H](C)CC)C2 ZINC001072944576 801575828 /nfs/dbraw/zinc/57/58/28/801575828.db2.gz GTHMQPRWWNUKSU-NVXWUHKLSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)c3ccc(C)cc3C)C2)C1 ZINC001073400073 801578667 /nfs/dbraw/zinc/57/86/67/801578667.db2.gz KOYOEDWTSGSGMK-UHFFFAOYSA-N 1 1 298.430 3.027 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@]2(C)CCC(C)=C(C)C2)C1 ZINC001081019861 801659334 /nfs/dbraw/zinc/65/93/34/801659334.db2.gz HUVXYJDOMWTHCT-NUJGCVRESA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C(C)(C)C)[C@@H]2C1 ZINC001084454544 801668154 /nfs/dbraw/zinc/66/81/54/801668154.db2.gz VFCUYGPUFMSJME-BZUAXINKSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC(C)=C(C)C1 ZINC001085612656 801698578 /nfs/dbraw/zinc/69/85/78/801698578.db2.gz WWFMXPQFJUDKEC-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1csc(C)c1 ZINC001085875342 801709457 /nfs/dbraw/zinc/70/94/57/801709457.db2.gz YIJFHZINWDWMAX-HNNXBMFYSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C)c(C)c1 ZINC001085956758 801713726 /nfs/dbraw/zinc/71/37/26/801713726.db2.gz KQEAFRHWYGBLPZ-KRWDZBQOSA-N 1 1 286.419 3.026 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(Cl)s1 ZINC001085958841 801713945 /nfs/dbraw/zinc/71/39/45/801713945.db2.gz MFNPFUWHLAYTNL-NSHDSACASA-N 1 1 298.839 3.124 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccoc1C(C)C ZINC001085995656 801718951 /nfs/dbraw/zinc/71/89/51/801718951.db2.gz RXGZNCNGGNVXJJ-AWEZNQCLSA-N 1 1 290.407 3.125 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CCC(C)(C)CC1 ZINC001085992881 801719798 /nfs/dbraw/zinc/71/97/98/801719798.db2.gz WBXJQFVCSKEDIP-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)C2CCC2)[C@H]1CC ZINC001087620127 801759183 /nfs/dbraw/zinc/75/91/83/801759183.db2.gz RZQJCYYXNAWNAF-AEGPPILISA-N 1 1 298.858 3.144 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C2CCC2)[C@H]1CC ZINC001087620127 801759191 /nfs/dbraw/zinc/75/91/91/801759191.db2.gz RZQJCYYXNAWNAF-AEGPPILISA-N 1 1 298.858 3.144 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2C=CCCC2)[C@H]1CC ZINC001087621440 801759986 /nfs/dbraw/zinc/75/99/86/801759986.db2.gz VEGBWPBTUTXPMX-IXDOHACOSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@]23C[C@@H]2CCCC3)[C@H]1CC ZINC001087714824 801763224 /nfs/dbraw/zinc/76/32/24/801763224.db2.gz HFQDBGXDIBQTLR-CUSZFKRNSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CC3)[C@@H]2CC)CC1 ZINC001087713736 801764170 /nfs/dbraw/zinc/76/41/70/801764170.db2.gz FTPZTHJLKHPYKA-DLBZAZTESA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C(C)C)C[C@@H]2C1 ZINC001087978685 801772966 /nfs/dbraw/zinc/77/29/66/801772966.db2.gz NXTALWYMVGOVTF-CVEARBPZSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C)c(Cl)c2)[C@H]1C ZINC001088834902 801808594 /nfs/dbraw/zinc/80/85/94/801808594.db2.gz SYGYBWLDXIQYSY-DOMZBBRYSA-N 1 1 292.810 3.027 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2cccs2)[C@H]1C ZINC001088852186 801811241 /nfs/dbraw/zinc/81/12/41/801811241.db2.gz IQCKZVLNDHJTTQ-MJBXVCDLSA-N 1 1 292.448 3.007 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cc(Cl)ccc2C)[C@H]1C ZINC001088929055 801813183 /nfs/dbraw/zinc/81/31/83/801813183.db2.gz HGSMYPUKXYJQNG-DOMZBBRYSA-N 1 1 292.810 3.027 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C(C)C)CC(C)(C)C1 ZINC001089323609 801833097 /nfs/dbraw/zinc/83/30/97/801833097.db2.gz DCAGEPJBDGNYNK-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)CC2CCC2)CC(C)(C)C1 ZINC001089344589 801833180 /nfs/dbraw/zinc/83/31/80/801833180.db2.gz OBGDIKQSKMNIPC-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@@H]1CCc2c(cccc2OC)C1 ZINC001256649490 806940181 /nfs/dbraw/zinc/94/01/81/806940181.db2.gz CBCJISZAIDLKAK-OAHLLOKOSA-N 1 1 272.392 3.178 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CCC1(C)C ZINC001089683639 801847974 /nfs/dbraw/zinc/84/79/74/801847974.db2.gz BZETZIQVAFVENI-CABCVRRESA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CCC1(C)C ZINC001089683640 801848004 /nfs/dbraw/zinc/84/80/04/801848004.db2.gz BZETZIQVAFVENI-GJZGRUSLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CC(C)(C)C1 ZINC001089638451 801848060 /nfs/dbraw/zinc/84/80/60/801848060.db2.gz XPNJNVBEZXUUEM-HNNXBMFYSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)C(C)C)C[C@]2(C)C1 ZINC001091696897 801859465 /nfs/dbraw/zinc/85/94/65/801859465.db2.gz VLXPWSASYMSYCZ-QAPCUYQASA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](CNC(=O)c2ccsc2)[C@H](C)C1 ZINC001092452755 801861335 /nfs/dbraw/zinc/86/13/35/801861335.db2.gz AQXWIFXNONYSNP-UKRRQHHQSA-N 1 1 292.448 3.012 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC2(C)C)[C@H](C)C1 ZINC001092893932 801863660 /nfs/dbraw/zinc/86/36/60/801863660.db2.gz FKWCYWCGGUTGAX-BZUAXINKSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](CNC(=O)c2ccc(C=C)cc2)[C@H](C)C1 ZINC001092991503 801864554 /nfs/dbraw/zinc/86/45/54/801864554.db2.gz JAMLESLVAMWARQ-CRAIPNDOSA-N 1 1 298.430 3.203 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC=CCC1)C2 ZINC001095165930 801879786 /nfs/dbraw/zinc/87/97/86/801879786.db2.gz ZLBHEOBMRPSGAX-YVSFHVDLSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC=CCCC1)C2 ZINC001095607856 801884786 /nfs/dbraw/zinc/88/47/86/801884786.db2.gz AKQFKZURXJEXBC-YVSFHVDLSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C)cc(C)c1)C2 ZINC001096428440 801890401 /nfs/dbraw/zinc/89/04/01/801890401.db2.gz XHGDOYOLLKQRBS-SQNIBIBYSA-N 1 1 298.430 3.215 20 30 CGEDMO CC#CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCC ZINC001099188940 801932077 /nfs/dbraw/zinc/93/20/77/801932077.db2.gz LUXSDXDITBTURM-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)C(C)C ZINC001099257251 801933941 /nfs/dbraw/zinc/93/39/41/801933941.db2.gz CGNJXNUQKZQLQZ-HZPDHXFCSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1(C(C)C)CC1 ZINC001099220453 801934962 /nfs/dbraw/zinc/93/49/62/801934962.db2.gz NQMKLUVWECMZLC-OAHLLOKOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)/C=C(\C)CC)C[C@]2(C)C1 ZINC001101228098 801976564 /nfs/dbraw/zinc/97/65/64/801976564.db2.gz OIBDNVUGFJBESC-PNWBLYNBSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](CNC(=O)CCC(C)C)[C@H](C)C1 ZINC001101711886 801987647 /nfs/dbraw/zinc/98/76/47/801987647.db2.gz HMKJIAIEZNJRRP-HZPDHXFCSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](CNC(=O)c2ccsc2)[C@H](C)C1 ZINC001101704161 801988510 /nfs/dbraw/zinc/98/85/10/801988510.db2.gz UHNSWHWPWMUCPU-UKRRQHHQSA-N 1 1 292.448 3.012 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@H](CC)CCCC)[C@H](C)C1 ZINC001101750721 801989948 /nfs/dbraw/zinc/98/99/48/801989948.db2.gz PAAJUJKQUDJYQZ-BRWVUGGUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](CNC(=O)C=C(CC)CC)[C@H](C)C1 ZINC001101869760 801993667 /nfs/dbraw/zinc/99/36/67/801993667.db2.gz HFKOFDMSVFVKDU-NVXWUHKLSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](CNC(=O)/C=C(\C)CC)[C@H](C)C1 ZINC001101943291 801995671 /nfs/dbraw/zinc/99/56/71/801995671.db2.gz PCMPVKZCFWABKY-JCWINUIBSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C ZINC001102010547 801997672 /nfs/dbraw/zinc/99/76/72/801997672.db2.gz DJMVVDJUSCJVTE-HZPDHXFCSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)C(C)(C)CCC)[C@H](C)C1 ZINC001102299225 802004385 /nfs/dbraw/zinc/00/43/85/802004385.db2.gz QSYVNLYFSJYBRF-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)C(CC)(CC)CC)[C@H](C)C1 ZINC001102482581 802008351 /nfs/dbraw/zinc/00/83/51/802008351.db2.gz ZXUQLFTWJYTIFI-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC[N@H+]1C[C@@H](CNC(=O)CCC2CCCCC2)[C@H](C)C1 ZINC001102546381 802013405 /nfs/dbraw/zinc/01/34/05/802013405.db2.gz ZAHYNOUEJNAJTB-NVXWUHKLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC(C)C)C1 ZINC001102642948 802015935 /nfs/dbraw/zinc/01/59/35/802015935.db2.gz YWIPUSKOMQAGIC-IXDOHACOSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC)C1 ZINC001102670913 802016676 /nfs/dbraw/zinc/01/66/76/802016676.db2.gz YHXUOPVTLWZHPJ-TZMCWYRMSA-N 1 1 286.847 3.003 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)CC)C1 ZINC001102913152 802024797 /nfs/dbraw/zinc/02/47/97/802024797.db2.gz BQBXBZCAPAWFMY-BRWVUGGUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC2CC2)C1 ZINC001103343392 802030020 /nfs/dbraw/zinc/03/00/20/802030020.db2.gz ZCJIRFQUCLNAIA-NVXWUHKLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NCC[C@@H]1C[N@@H+](CC(=C)C)C[C@H]1C ZINC001103346589 802030755 /nfs/dbraw/zinc/03/07/55/802030755.db2.gz NLXMZSIEBPVMJP-IXDOHACOSA-N 1 1 292.467 3.239 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)CC)C1 ZINC001103385884 802032952 /nfs/dbraw/zinc/03/29/52/802032952.db2.gz PLVQJVPSBUFLAA-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCCC(=O)NCC[C@@H]1C[N@H+](C/C=C/Cl)C[C@H]1C ZINC001103385481 802033383 /nfs/dbraw/zinc/03/33/83/802033383.db2.gz WKFZDUGKWLVRNW-VOTDVEDPSA-N 1 1 298.858 3.169 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCC[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC001103401920 802033463 /nfs/dbraw/zinc/03/34/63/802033463.db2.gz SQVNTLRTHNAELE-INMHGKMJSA-N 1 1 280.456 3.071 20 30 CGEDMO C=C1CCC(C(=O)NCC[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)CC1 ZINC001103402900 802034030 /nfs/dbraw/zinc/03/40/30/802034030.db2.gz QNVPSDMJCHDPLG-NVXWUHKLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)CC(C)C)C1 ZINC001103580061 802037277 /nfs/dbraw/zinc/03/72/77/802037277.db2.gz FRTZTOVLUCDDFX-BRWVUGGUSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(CC)CC)C1 ZINC001103737734 802038927 /nfs/dbraw/zinc/03/89/27/802038927.db2.gz FVEHIZBCNMLIRA-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)CC(C)C)CCC[C@@H]12 ZINC001107263840 802084247 /nfs/dbraw/zinc/08/42/47/802084247.db2.gz LTKZEDLAOFXDLT-GDBMZVCRSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(CNC(=O)/C(C)=C/C)CCC[C@@H]12 ZINC001107355594 802085039 /nfs/dbraw/zinc/08/50/39/802085039.db2.gz JGXIJZPBHJNZLJ-CUMWPQIJSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(CNC(=O)C(F)=C(C)C)CCC[C@@H]12 ZINC001107363482 802086851 /nfs/dbraw/zinc/08/68/51/802086851.db2.gz BWDYMMAJCYAWFW-RHSMWYFYSA-N 1 1 294.414 3.187 20 30 CGEDMO C=CCCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCF)CC2 ZINC001107524122 802089785 /nfs/dbraw/zinc/08/97/85/802089785.db2.gz ITVLOURHQJKNET-NVXWUHKLSA-N 1 1 296.430 3.063 20 30 CGEDMO CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCC1)C2 ZINC001108848986 802101929 /nfs/dbraw/zinc/10/19/29/802101929.db2.gz ZCAURMTUSOQGFB-IKGGRYGDSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)CCC)C2 ZINC001109084631 802107805 /nfs/dbraw/zinc/10/78/05/802107805.db2.gz YYYIBVUKQONTAU-FZKCQIBNSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(=C)C ZINC001109343403 802114459 /nfs/dbraw/zinc/11/44/59/802114459.db2.gz XGSBAPRNHJYQTM-PMPSAXMXSA-N 1 1 290.451 3.276 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC(=C)C)C2 ZINC001109351263 802114530 /nfs/dbraw/zinc/11/45/30/802114530.db2.gz VJSJRTOFLTVEPJ-YVSFHVDLSA-N 1 1 290.451 3.419 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](F)CC ZINC001109343315 802114809 /nfs/dbraw/zinc/11/48/09/802114809.db2.gz SQZMCLVKJHIIAY-KBXIAJHMSA-N 1 1 296.430 3.058 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(C)C ZINC001109353645 802115355 /nfs/dbraw/zinc/11/53/55/802115355.db2.gz QUQAVBLJDCIPCE-PMPSAXMXSA-N 1 1 276.424 3.030 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCCC1)C2 ZINC001110228522 802130856 /nfs/dbraw/zinc/13/08/56/802130856.db2.gz OTNJOOMBSFEWNS-SVGFKBNWSA-N 1 1 290.451 3.253 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC=CCC1)C2 ZINC001110275591 802135598 /nfs/dbraw/zinc/13/55/98/802135598.db2.gz NIWVAOAELZBVIW-HZMVEIRTSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC)C2 ZINC001110292848 802136930 /nfs/dbraw/zinc/13/69/30/802136930.db2.gz TXGRPABALYNPAO-JJXSEGSLSA-N 1 1 278.440 3.253 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)/C(C)=C/CC)C2 ZINC001110349656 802138790 /nfs/dbraw/zinc/13/87/90/802138790.db2.gz UHPNTRNSGYWRRC-ZHKHMTSASA-N 1 1 276.424 3.030 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C(C)C)C2 ZINC001110598637 802144211 /nfs/dbraw/zinc/14/42/11/802144211.db2.gz FFWNWQGALBVBBH-OAGGEKHMSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(C)C ZINC001110592990 802144226 /nfs/dbraw/zinc/14/42/26/802144226.db2.gz CGXVUDHILDAZOC-ZACQAIPSSA-N 1 1 290.451 3.132 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(CC)CC ZINC001110898329 802149208 /nfs/dbraw/zinc/14/92/08/802149208.db2.gz BICLGDQSXURNKN-OAGGEKHMSA-N 1 1 292.467 3.356 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)C ZINC001110934879 802151043 /nfs/dbraw/zinc/15/10/43/802151043.db2.gz PWWJDNPCLTUTKH-HZMVEIRTSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(CCCC)CC1)C2 ZINC001110987910 802152537 /nfs/dbraw/zinc/15/25/37/802152537.db2.gz KWJPPJSTRZBIMK-OAGGEKHMSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC ZINC001110984667 802152996 /nfs/dbraw/zinc/15/29/96/802152996.db2.gz KZCRYYKFALWWTM-PNBKFKSVSA-N 1 1 278.440 3.110 20 30 CGEDMO C=C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC)c1ccccc1 ZINC001111443642 802159969 /nfs/dbraw/zinc/15/99/69/802159969.db2.gz RSZMIYOGSPFKAD-TVFCKZIOSA-N 1 1 298.430 3.088 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCCC)C1 ZINC001111590013 802162592 /nfs/dbraw/zinc/16/25/92/802162592.db2.gz OXCHFCKZLTYFCY-RDJZCZTQSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@H+](C/C=C\Cl)C2 ZINC001111856713 802170289 /nfs/dbraw/zinc/17/02/89/802170289.db2.gz DEOAIMMBCJUPEL-KYKFOIQWSA-N 1 1 296.842 3.066 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC ZINC001113885006 802234978 /nfs/dbraw/zinc/23/49/78/802234978.db2.gz ABEVAXYYZIXGFH-QLPKVWCKSA-N 1 1 280.456 3.193 20 30 CGEDMO CCCCCCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(C)C)C[C@H]21 ZINC001115160193 802252906 /nfs/dbraw/zinc/25/29/06/802252906.db2.gz QNOBSBGJLDEAOW-VQFNDLOPSA-N 1 1 294.483 3.439 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(CC)CC ZINC001115267757 802254601 /nfs/dbraw/zinc/25/46/01/802254601.db2.gz KFHILZVTPRLUKJ-CAOSSQGBSA-N 1 1 292.467 3.214 20 30 CGEDMO C[C@@H](C#N)C[N@H+](Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC001116445609 802351550 /nfs/dbraw/zinc/35/15/50/802351550.db2.gz WCKMNLWXMKIIKM-HNNXBMFYSA-N 1 1 283.419 3.411 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](Cc1ccc(N2CCCC2)cc1)C1CC1 ZINC001116445609 802351561 /nfs/dbraw/zinc/35/15/61/802351561.db2.gz WCKMNLWXMKIIKM-HNNXBMFYSA-N 1 1 283.419 3.411 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CCOC[C@@](C)(O)C1 ZINC001172359496 808254387 /nfs/dbraw/zinc/25/43/87/808254387.db2.gz XCTYEFFAASIHTL-CVEARBPZSA-N 1 1 271.445 3.209 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2cccc(C(F)F)c2)o1 ZINC001116704278 802398373 /nfs/dbraw/zinc/39/83/73/802398373.db2.gz STFUXPNYJLGUES-UHFFFAOYSA-N 1 1 262.259 3.379 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)/C=C(\C)C2CC2)C1 ZINC001270942529 808755466 /nfs/dbraw/zinc/75/54/66/808755466.db2.gz ZIWJVXWRQXHJTK-XOVFHRFOSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C[C@H](COC)[NH2+][C@@H]1CCc2ccc(F)c(Cl)c21 ZINC001118310667 802548477 /nfs/dbraw/zinc/54/84/77/802548477.db2.gz UXGXGUIISAPRLC-ZYHUDNBSSA-N 1 1 269.747 3.257 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](C[C@@H]2CCCC(C)(C)C2)C1 ZINC001180317513 809992295 /nfs/dbraw/zinc/99/22/95/809992295.db2.gz HRQAHWDZLJCVGA-HUUCEWRRSA-N 1 1 251.414 3.480 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC001120279576 802738461 /nfs/dbraw/zinc/73/84/61/802738461.db2.gz KEKHOWGSLDEJDJ-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)/C=C(/C)CC)C1 ZINC001120374104 802743244 /nfs/dbraw/zinc/74/32/44/802743244.db2.gz UZVWYPYTFXGDKM-LSLWIEAESA-N 1 1 290.451 3.232 20 30 CGEDMO N#Cc1ccc(CN[C@H]2CCC[N@@H+](C3CCCC3)C2)cc1 ZINC001256897863 807003406 /nfs/dbraw/zinc/00/34/06/807003406.db2.gz VFSPHSCVXQVQBI-KRWDZBQOSA-N 1 1 283.419 3.055 20 30 CGEDMO N#Cc1ccc(CN[C@H]2CCC[N@H+](C3CCCC3)C2)cc1 ZINC001256897863 807003412 /nfs/dbraw/zinc/00/34/12/807003412.db2.gz VFSPHSCVXQVQBI-KRWDZBQOSA-N 1 1 283.419 3.055 20 30 CGEDMO CCC(C#N)(CC)N[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256907531 807007956 /nfs/dbraw/zinc/00/79/56/807007956.db2.gz CVOXUBWCSVMLMS-AWEZNQCLSA-N 1 1 263.429 3.065 20 30 CGEDMO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](C[C@H](C)CC)C2)C1 ZINC001201499360 811868342 /nfs/dbraw/zinc/86/83/42/811868342.db2.gz KGUMWAFOJORCQI-WBVHZDCISA-N 1 1 294.439 3.143 20 30 CGEDMO C=CCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001124816259 803040863 /nfs/dbraw/zinc/04/08/63/803040863.db2.gz REFIDMLOAUERQH-QGZVFWFLSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)CCC)C1 ZINC001206503055 813338648 /nfs/dbraw/zinc/33/86/48/813338648.db2.gz SANGDDYOMQCGOW-OUCADQQQSA-N 1 1 286.847 3.002 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)CCC)C1 ZINC001206503055 813338654 /nfs/dbraw/zinc/33/86/54/813338654.db2.gz SANGDDYOMQCGOW-OUCADQQQSA-N 1 1 286.847 3.002 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)C2CCCC2)CC[C@H]1C ZINC001131730491 803338597 /nfs/dbraw/zinc/33/85/97/803338597.db2.gz MFSMLEIMPGPJDK-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCCC(C)C)C1 ZINC001131894611 803356207 /nfs/dbraw/zinc/35/62/07/803356207.db2.gz ACYWSUWVBKUBKS-CVEARBPZSA-N 1 1 280.456 3.358 20 30 CGEDMO C#CCCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCCC=C)C1 ZINC001131976902 803363793 /nfs/dbraw/zinc/36/37/93/803363793.db2.gz QHUKKIYVAKQSPO-IAGOWNOFSA-N 1 1 290.451 3.115 20 30 CGEDMO C#CC[N@@H+]1C[C@@H](NC(=O)CCCCC(C)(C)C)CC[C@@H]1C ZINC001132058542 803369803 /nfs/dbraw/zinc/36/98/03/803369803.db2.gz ZJSJACDEPQRZIS-HOTGVXAUSA-N 1 1 292.467 3.195 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCCC)C1 ZINC001132221761 803379964 /nfs/dbraw/zinc/37/99/64/803379964.db2.gz NNLRWWXRPTYWPC-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO C#CCCCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(C)C)C1 ZINC001132241515 803384976 /nfs/dbraw/zinc/38/49/76/803384976.db2.gz VRWVLHWDVYVILT-IRXDYDNUSA-N 1 1 292.467 3.195 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C(C)(C)CCC)CC[C@H]1C ZINC001132252808 803386382 /nfs/dbraw/zinc/38/63/82/803386382.db2.gz KSRMIDZSZGKAMR-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)CCC)CC[C@@H]1C ZINC001132253797 803388420 /nfs/dbraw/zinc/38/84/20/803388420.db2.gz ZOOMQTVSHDZPNF-GJZGRUSLSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC1(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CCC)C2)CC1 ZINC001132277295 803390282 /nfs/dbraw/zinc/39/02/82/803390282.db2.gz FEOYQKVJJSVFMJ-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC1(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC3CC3)C2)CC1 ZINC001132292460 803394048 /nfs/dbraw/zinc/39/40/48/803394048.db2.gz RKHLGQZTAFJLAQ-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO CC#CC[N@H+]1C[C@H](NC(=O)C(C)(C)CC(C)C)CC[C@@H]1C ZINC001132416838 803402815 /nfs/dbraw/zinc/40/28/15/803402815.db2.gz NGTFVEQGSQOSPG-JKSUJKDBSA-N 1 1 292.467 3.051 20 30 CGEDMO Cc1c(C#N)cccc1-c1cc(-n2ccnc2)cc[nH+]1 ZINC001244817317 803535554 /nfs/dbraw/zinc/53/55/54/803535554.db2.gz VBEIASVWBVUNAL-UHFFFAOYSA-N 1 1 260.300 3.114 20 30 CGEDMO N#Cc1cccc(-c2ccc(C[NH+]3CCOCC3)cc2)c1F ZINC001245070039 803630663 /nfs/dbraw/zinc/63/06/63/803630663.db2.gz ANMZLSZCIYCLDG-UHFFFAOYSA-N 1 1 296.345 3.197 20 30 CGEDMO Cc1ccc2c(C[N@H+]3CC[C@@H]4SC(=O)C=C4C3)c[nH]c2c1 ZINC001136969749 803664775 /nfs/dbraw/zinc/66/47/75/803664775.db2.gz AHVIBPRPIWHYLX-INIZCTEOSA-N 1 1 298.411 3.250 20 30 CGEDMO Cc1ccc2c(C[N@@H+]3CCC4SC(=O)C=C4C3)c[nH]c2c1 ZINC001136969749 803664780 /nfs/dbraw/zinc/66/47/80/803664780.db2.gz AHVIBPRPIWHYLX-INIZCTEOSA-N 1 1 298.411 3.250 20 30 CGEDMO Cc1ccc2c(C[N@H+]3CCC4SC(=O)C=C4C3)c[nH]c2c1 ZINC001136969749 803664782 /nfs/dbraw/zinc/66/47/82/803664782.db2.gz AHVIBPRPIWHYLX-INIZCTEOSA-N 1 1 298.411 3.250 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2c[nH]c3ccc(F)cc23)C1 ZINC001137341501 803720250 /nfs/dbraw/zinc/72/02/50/803720250.db2.gz PBRULNYICMNXSE-LBPRGKRZSA-N 1 1 256.324 3.152 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccc3ncccc3c2)CC1 ZINC001138111468 803857283 /nfs/dbraw/zinc/85/72/83/803857283.db2.gz APDSSKIPZFYWLU-CQSZACIVSA-N 1 1 265.360 3.360 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCCC[C@@H](C)C2)cc1 ZINC001138556376 803966117 /nfs/dbraw/zinc/96/61/17/803966117.db2.gz SKCUZIKGYBJDMI-OAHLLOKOSA-N 1 1 257.377 3.321 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2C[C@@H](C)CC23CC3)c1O ZINC001138630409 803986743 /nfs/dbraw/zinc/98/67/43/803986743.db2.gz WDICNILKBOWDRJ-ZDUSSCGKSA-N 1 1 257.377 3.495 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1CCC(=O)[C@@H](C)CC1 ZINC001138662152 803994518 /nfs/dbraw/zinc/99/45/18/803994518.db2.gz PGXBEZHZGSPLDB-HNNXBMFYSA-N 1 1 287.403 3.443 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CCC(=O)[C@@H](C)CC1 ZINC001138662152 803994522 /nfs/dbraw/zinc/99/45/22/803994522.db2.gz PGXBEZHZGSPLDB-HNNXBMFYSA-N 1 1 287.403 3.443 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[NH2+]CCNCC ZINC001245991902 804094915 /nfs/dbraw/zinc/09/49/15/804094915.db2.gz IEEVGLBBGROVIJ-INIZCTEOSA-N 1 1 272.477 3.077 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[NH2+][C@@H](CN)c1ccccc1 ZINC001245971577 804091138 /nfs/dbraw/zinc/09/11/38/804091138.db2.gz BBFOXZQOHQPNER-MSOLQXFVSA-N 1 1 290.451 3.164 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+]1CCNC[C@H]1C(C)C ZINC001246039486 804102026 /nfs/dbraw/zinc/10/20/26/804102026.db2.gz MYJNFAFIVPDNQF-SJORKVTESA-N 1 1 284.488 3.028 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCNC[C@H]1C(C)C ZINC001246039486 804102027 /nfs/dbraw/zinc/10/20/27/804102027.db2.gz MYJNFAFIVPDNQF-SJORKVTESA-N 1 1 284.488 3.028 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001139026791 804111800 /nfs/dbraw/zinc/11/18/00/804111800.db2.gz AROGZUVBXUPPDN-FUHWJXTLSA-N 1 1 287.403 3.252 20 30 CGEDMO C#CC(CC)(CC)N[C@H]1CC[NH2+][C@@H](CCCC)C1 ZINC001246073311 804112446 /nfs/dbraw/zinc/11/24/46/804112446.db2.gz XDDOTYOSRZSXQF-GJZGRUSLSA-N 1 1 250.430 3.079 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1cccc2c1ccn2C ZINC001139159741 804144210 /nfs/dbraw/zinc/14/42/10/804144210.db2.gz PWNWZRPGWUJAKH-UHFFFAOYSA-N 1 1 255.365 3.304 20 30 CGEDMO CCCCCCCC[C@H](CC)[NH2+][C@H]1CN[C@@H]2CCO[C@@H]21 ZINC001246152261 804171180 /nfs/dbraw/zinc/17/11/80/804171180.db2.gz MGFIDGPZBBCDKQ-YVSFHVDLSA-N 1 1 282.472 3.235 20 30 CGEDMO C[N@@H+](Cc1ccc(Oc2ccc(C#N)cc2)nc1)C1CC1 ZINC001139423278 804188685 /nfs/dbraw/zinc/18/86/85/804188685.db2.gz BILAWKDHKTWYDU-UHFFFAOYSA-N 1 1 279.343 3.340 20 30 CGEDMO C[C@H]1CC[N@H+]1Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139426962 804188696 /nfs/dbraw/zinc/18/86/96/804188696.db2.gz OWOSZHHSXYRETQ-ZDUSSCGKSA-N 1 1 279.343 3.340 20 30 CGEDMO CCCCCCCCC[C@H](CCC)[NH2+][C@@H]1CNC[C@@H]1N ZINC001246211946 804210027 /nfs/dbraw/zinc/21/00/27/804210027.db2.gz OUEDONAJZXCVSB-YESZJQIVSA-N 1 1 283.504 3.185 20 30 CGEDMO CCCCCCC[N@@H+](C)Cc1cnccc1OC ZINC001139608447 804225529 /nfs/dbraw/zinc/22/55/29/804225529.db2.gz BVWBHUMLXYYRND-UHFFFAOYSA-N 1 1 250.386 3.492 20 30 CGEDMO CCCCCCC[C@H](CCC)[NH2+][C@H]1CNC[C@@H]1OC ZINC001246237566 804230312 /nfs/dbraw/zinc/23/03/12/804230312.db2.gz AHJUZJRXSJKTFV-JYJNAYRXSA-N 1 1 270.461 3.092 20 30 CGEDMO C[N@H+](CCC(=O)c1ccccc1)Cc1cc(C#N)ccc1F ZINC001139651566 804243588 /nfs/dbraw/zinc/24/35/88/804243588.db2.gz PUZDNGNBSSUMIT-UHFFFAOYSA-N 1 1 296.345 3.402 20 30 CGEDMO C[N@@H+](CCC(=O)c1ccccc1)Cc1cc(C#N)ccc1F ZINC001139651566 804243593 /nfs/dbraw/zinc/24/35/93/804243593.db2.gz PUZDNGNBSSUMIT-UHFFFAOYSA-N 1 1 296.345 3.402 20 30 CGEDMO COCC1CC[NH+](Cc2cccc(Cl)c2C#N)CC1 ZINC001139689703 804254106 /nfs/dbraw/zinc/25/41/06/804254106.db2.gz KNLGLIVHSZKUKV-UHFFFAOYSA-N 1 1 278.783 3.070 20 30 CGEDMO N#Cc1cccc2c(C[N@@H+]3CCc4ncsc4C3)c[nH]c21 ZINC001139706579 804261363 /nfs/dbraw/zinc/26/13/63/804261363.db2.gz YXYRNZOHAQKCFY-UHFFFAOYSA-N 1 1 294.383 3.054 20 30 CGEDMO N#Cc1cccc2c(C[N@H+]3CCc4ncsc4C3)c[nH]c21 ZINC001139706579 804261369 /nfs/dbraw/zinc/26/13/69/804261369.db2.gz YXYRNZOHAQKCFY-UHFFFAOYSA-N 1 1 294.383 3.054 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cc(C)c(F)c(C)c2)no1 ZINC001212325590 815005241 /nfs/dbraw/zinc/00/52/41/815005241.db2.gz WMAIAWNAQHFHMS-ZDUSSCGKSA-N 1 1 287.338 3.296 20 30 CGEDMO CC(C)(C)C#CC[NH2+][C@@H]1CCN[C@@H](c2ccccc2)C1 ZINC001246326933 804283330 /nfs/dbraw/zinc/28/33/30/804283330.db2.gz PUBWHJTWRMZPSY-IAGOWNOFSA-N 1 1 270.420 3.119 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc3ccccc3n2)no1 ZINC001212327125 815005758 /nfs/dbraw/zinc/00/57/58/815005758.db2.gz OEHGSMQPAXXSHY-ZDUSSCGKSA-N 1 1 292.342 3.088 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)c1c(C)cccc1Cl ZINC001139870112 804302370 /nfs/dbraw/zinc/30/23/70/804302370.db2.gz YQVWGGDFGCJYIN-UHFFFAOYSA-N 1 1 294.826 3.228 20 30 CGEDMO N#Cc1cc(F)cc(C[N@@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC001139875210 804305574 /nfs/dbraw/zinc/30/55/74/804305574.db2.gz VSDAGYOQQNMHSW-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1cc(F)cc(C[N@H+]2CCC[C@@H]2c2ccccn2)c1 ZINC001139875210 804305582 /nfs/dbraw/zinc/30/55/82/804305582.db2.gz VSDAGYOQQNMHSW-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1cc(F)cc(C[N@H+]2CC[C@H](c3ccncc3)C2)c1 ZINC001139874588 804306000 /nfs/dbraw/zinc/30/60/00/804306000.db2.gz DJZHEZQQUHMXHV-INIZCTEOSA-N 1 1 281.334 3.082 20 30 CGEDMO Cn1ncc2cc(C[N@@H+](C)Cc3ccc(C#N)cc3)ccc21 ZINC001139950601 804332648 /nfs/dbraw/zinc/33/26/48/804332648.db2.gz BPPOHCJYLFOQGW-UHFFFAOYSA-N 1 1 290.370 3.077 20 30 CGEDMO C#CC1(NC2C[C@H](CC)[NH2+][C@@H](CC)C2)CCCCC1 ZINC001246464924 804346220 /nfs/dbraw/zinc/34/62/20/804346220.db2.gz UZSGEIVANLLOBS-GJZGRUSLSA-N 1 1 262.441 3.221 20 30 CGEDMO Cc1nccn1-c1ccccc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001140027853 804354165 /nfs/dbraw/zinc/35/41/65/804354165.db2.gz DPRLZWZHGQJRQE-INIZCTEOSA-N 1 1 294.402 3.306 20 30 CGEDMO C#CC[N@@H+](C)Cc1cnc(-c2ccc(F)cc2)s1 ZINC001140096510 804375180 /nfs/dbraw/zinc/37/51/80/804375180.db2.gz UPKIVUKTAFULJX-UHFFFAOYSA-N 1 1 260.337 3.014 20 30 CGEDMO C#CC[N@H+](C)Cc1cnc(-c2ccc(F)cc2)s1 ZINC001140096510 804375188 /nfs/dbraw/zinc/37/51/88/804375188.db2.gz UPKIVUKTAFULJX-UHFFFAOYSA-N 1 1 260.337 3.014 20 30 CGEDMO CC1(C)C[N@@H+](Cc2c[nH]c3ccc(C#N)cc23)[C@](C)(CO)C1 ZINC001140110998 804379443 /nfs/dbraw/zinc/37/94/43/804379443.db2.gz WCYCJAGDLAYWTN-SFHVURJKSA-N 1 1 297.402 3.022 20 30 CGEDMO COC[C@H]1CCCC[N@H+]1Cc1c[nH]c2ccc(C#N)cc12 ZINC001140110055 804380435 /nfs/dbraw/zinc/38/04/35/804380435.db2.gz DPHXUQSUQIFKNH-OAHLLOKOSA-N 1 1 283.375 3.040 20 30 CGEDMO CC1(C)[C@@H]2C[N@H+](Cc3c[nH]c4ccc(C#N)cc34)C[C@@H]21 ZINC001140114870 804380794 /nfs/dbraw/zinc/38/07/94/804380794.db2.gz DLKVDHSSFFPHFS-GASCZTMLSA-N 1 1 265.360 3.127 20 30 CGEDMO CCCCCCC[C@H](CCC)[N@@H+](C)C[C@@H]1CNCCO1 ZINC001246551822 804402485 /nfs/dbraw/zinc/40/24/85/804402485.db2.gz RKWLIWAIVHJSQJ-IRXDYDNUSA-N 1 1 284.488 3.436 20 30 CGEDMO C[N@@H+](CCc1ccc(Cl)cc1)Cc1ccc(C#N)nc1 ZINC001140543459 804458320 /nfs/dbraw/zinc/45/83/20/804458320.db2.gz ALBXCRNQJHUGFP-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO N#Cc1ccc(C(F)(F)F)cc1Nc1ccc[nH+]c1N ZINC001212401886 815019874 /nfs/dbraw/zinc/01/98/74/815019874.db2.gz LJAOOUVWGWUTFB-UHFFFAOYSA-N 1 1 278.237 3.298 20 30 CGEDMO N#Cc1ccc(Cl)c(C[N@H+]2CCC[C@]3(CCOC3)C2)c1 ZINC001140600246 804471107 /nfs/dbraw/zinc/47/11/07/804471107.db2.gz DVISLUVUSUOOJC-INIZCTEOSA-N 1 1 290.794 3.214 20 30 CGEDMO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c(C)c1 ZINC001140677077 804487080 /nfs/dbraw/zinc/48/70/80/804487080.db2.gz YXGIGTMTHNOBGH-MKZZRHPPSA-N 1 1 270.376 3.270 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CCNC[C@H]3C(C)C)C[C@H](C1)C2 ZINC001246689920 804497536 /nfs/dbraw/zinc/49/75/36/804497536.db2.gz BIXIHSUFBGMCDD-WFVVYAPDSA-N 1 1 262.441 3.051 20 30 CGEDMO CCCCCCCCCC[C@@H](C)[N@H+]1CCNC[C@H]1CO ZINC001246697294 804499580 /nfs/dbraw/zinc/49/95/80/804499580.db2.gz MKVMWOSFMZIMMD-SJORKVTESA-N 1 1 284.488 3.172 20 30 CGEDMO CCCCCCCCCC[C@@H](C)N1CC[NH2+]C[C@H]1CO ZINC001246697294 804499583 /nfs/dbraw/zinc/49/95/83/804499583.db2.gz MKVMWOSFMZIMMD-SJORKVTESA-N 1 1 284.488 3.172 20 30 CGEDMO N#Cc1c(F)cc(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)cc1F ZINC001140752450 804505341 /nfs/dbraw/zinc/50/53/41/804505341.db2.gz KQKOTWFANXUTQZ-QWHCGFSZSA-N 1 1 276.330 3.458 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cnc(SC)nc1NC ZINC001140840906 804531884 /nfs/dbraw/zinc/53/18/84/804531884.db2.gz JGBMTRSTVNQHII-UHFFFAOYSA-N 1 1 280.441 3.028 20 30 CGEDMO N#CC1CCC([N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)CC1 ZINC001256968318 807019326 /nfs/dbraw/zinc/01/93/26/807019326.db2.gz CZNDFIOWBAUFSA-PGEKIEPBSA-N 1 1 288.366 3.361 20 30 CGEDMO C[N@@H+](C[C@H]1Cc2ccccc2O1)C1CCC(C#N)CC1 ZINC001256971234 807020705 /nfs/dbraw/zinc/02/07/05/807020705.db2.gz MQVIUHZZFJZVCM-AVVWSFFYSA-N 1 1 270.376 3.004 20 30 CGEDMO C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C1CCC(C#N)CC1 ZINC001256973092 807021132 /nfs/dbraw/zinc/02/11/32/807021132.db2.gz LCMXAEONJSPBTK-FOIPXRHGSA-N 1 1 289.467 3.408 20 30 CGEDMO C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C1CCC(C#N)CC1 ZINC001256973092 807021139 /nfs/dbraw/zinc/02/11/39/807021139.db2.gz LCMXAEONJSPBTK-FOIPXRHGSA-N 1 1 289.467 3.408 20 30 CGEDMO CN1CCC[C@H]1C[C@@H]1CCCC[N@@H+]1C1CCC(C#N)CC1 ZINC001256973092 807021143 /nfs/dbraw/zinc/02/11/43/807021143.db2.gz LCMXAEONJSPBTK-FOIPXRHGSA-N 1 1 289.467 3.408 20 30 CGEDMO CN1CCC[C@H]1C[C@@H]1CCCC[N@H+]1C1CCC(C#N)CC1 ZINC001256973092 807021149 /nfs/dbraw/zinc/02/11/49/807021149.db2.gz LCMXAEONJSPBTK-FOIPXRHGSA-N 1 1 289.467 3.408 20 30 CGEDMO N#Cc1c(N)sc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c1Cl ZINC001141106500 804590706 /nfs/dbraw/zinc/59/07/06/804590706.db2.gz BCPWLQDCJXBHBI-DTORHVGOSA-N 1 1 281.812 3.087 20 30 CGEDMO CCCCCCCCCC[C@H](C)[N@H+]1C[C@@H](N)C[C@@H]1CO ZINC001246940953 804609988 /nfs/dbraw/zinc/60/99/88/804609988.db2.gz XCXSRMSRNMKGRK-YESZJQIVSA-N 1 1 284.488 3.300 20 30 CGEDMO CCCCCCCCCC[C@H](C)N1C[C@@H]([NH3+])C[C@@H]1CO ZINC001246940953 804609992 /nfs/dbraw/zinc/60/99/92/804609992.db2.gz XCXSRMSRNMKGRK-YESZJQIVSA-N 1 1 284.488 3.300 20 30 CGEDMO CCCCCCC[C@H](CC)[N@@H+]1CC[C@](F)(CN)C1 ZINC001246947110 804614380 /nfs/dbraw/zinc/61/43/80/804614380.db2.gz VKNJLYLXKGUYFW-GJZGRUSLSA-N 1 1 258.425 3.498 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@](F)(CN)C1 ZINC001246947110 804614383 /nfs/dbraw/zinc/61/43/83/804614383.db2.gz VKNJLYLXKGUYFW-GJZGRUSLSA-N 1 1 258.425 3.498 20 30 CGEDMO C=CC[N@@H+](C1CCCCC1)[C@H]1CCN[C@@H](C(F)(F)F)C1 ZINC001246948488 804615448 /nfs/dbraw/zinc/61/54/48/804615448.db2.gz KJEUUMKZKXDBJN-UONOGXRCSA-N 1 1 290.373 3.490 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1cccc(-n2ccnc2)c1 ZINC001141241476 804622079 /nfs/dbraw/zinc/62/20/79/804622079.db2.gz ITHPEXGPWANIHD-UHFFFAOYSA-N 1 1 282.391 3.388 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1cnc(Cl)cc1OC ZINC001141345012 804634547 /nfs/dbraw/zinc/63/45/47/804634547.db2.gz XLOYPNIDBOLQBO-UHFFFAOYSA-N 1 1 254.761 3.142 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cnc(Cl)cc1OC ZINC001141345012 804634550 /nfs/dbraw/zinc/63/45/50/804634550.db2.gz XLOYPNIDBOLQBO-UHFFFAOYSA-N 1 1 254.761 3.142 20 30 CGEDMO C[Si](C)(C)c1ccc(C[N@H+]2CCC[C@@H](C#N)CC2)cc1 ZINC001141732046 804665312 /nfs/dbraw/zinc/66/53/12/804665312.db2.gz AIZPJPZAORLMJV-OAHLLOKOSA-N 1 1 286.495 3.357 20 30 CGEDMO CCCCCCCCNC(=S)N[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC001247186587 804677620 /nfs/dbraw/zinc/67/76/20/804677620.db2.gz QWCOXVILHSBWKB-HUUCEWRRSA-N 1 1 299.528 3.151 20 30 CGEDMO C#CC[C@@H]([NH3+])c1nc(-c2ccc(C)c(C(F)(F)F)c2)no1 ZINC001247614229 804779850 /nfs/dbraw/zinc/77/98/50/804779850.db2.gz RNMBVLRCIMJQOC-LLVKDONJSA-N 1 1 295.264 3.087 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2cc(C)cc(F)c2F)no1 ZINC001247622405 804783543 /nfs/dbraw/zinc/78/35/43/804783543.db2.gz LZXSVPWYWCUUBI-NSHDSACASA-N 1 1 279.290 3.289 20 30 CGEDMO COC(C)(C)[C@@H]1CCC[N@H+]1Cc1c[nH]c2cc(C#N)ccc12 ZINC001142921874 804784500 /nfs/dbraw/zinc/78/45/00/804784500.db2.gz YMMHBSFFHDILIV-KRWDZBQOSA-N 1 1 297.402 3.429 20 30 CGEDMO CC[N@H+](CCC#N)Cc1cccc(C(C)(C)C)c1O ZINC001143110554 804803155 /nfs/dbraw/zinc/80/31/55/804803155.db2.gz JBWJXQDJHJIJSZ-UHFFFAOYSA-N 1 1 260.381 3.425 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1cccc(C(C)(C)C)c1O ZINC001143110554 804803163 /nfs/dbraw/zinc/80/31/63/804803163.db2.gz JBWJXQDJHJIJSZ-UHFFFAOYSA-N 1 1 260.381 3.425 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC3(CCC3)C2)c1F ZINC001143173031 804814089 /nfs/dbraw/zinc/81/40/89/804814089.db2.gz LPEMZSRCXQXVAF-UHFFFAOYSA-N 1 1 262.303 3.212 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCC3(CCC3)C2)c1F ZINC001143173031 804814097 /nfs/dbraw/zinc/81/40/97/804814097.db2.gz LPEMZSRCXQXVAF-UHFFFAOYSA-N 1 1 262.303 3.212 20 30 CGEDMO COC(C)(C)[C@H]1CCC[N@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143172675 804815214 /nfs/dbraw/zinc/81/52/14/804815214.db2.gz BJBWMQOKPQJJDV-CQSZACIVSA-N 1 1 294.345 3.226 20 30 CGEDMO CC[C@@H]1CC[N@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143179073 804815903 /nfs/dbraw/zinc/81/59/03/804815903.db2.gz SNMMVHNSLZRKIH-SNVBAGLBSA-N 1 1 250.292 3.068 20 30 CGEDMO CC[C@@H]1CC[N@@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143179073 804815911 /nfs/dbraw/zinc/81/59/11/804815911.db2.gz SNMMVHNSLZRKIH-SNVBAGLBSA-N 1 1 250.292 3.068 20 30 CGEDMO CC[C@H]1CCC[N@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143174331 804815938 /nfs/dbraw/zinc/81/59/38/804815938.db2.gz QFCRKXCQPNMGKB-NSHDSACASA-N 1 1 264.319 3.458 20 30 CGEDMO CC[C@H]1CCC[N@@H+](Cc2c(F)ccc(C#N)c2F)C1 ZINC001143174331 804815948 /nfs/dbraw/zinc/81/59/48/804815948.db2.gz QFCRKXCQPNMGKB-NSHDSACASA-N 1 1 264.319 3.458 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC001143770328 804894182 /nfs/dbraw/zinc/89/41/82/804894182.db2.gz PLQWMINUQVNLIA-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C[C@H]1C[C@@H](CO)[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257017753 807029504 /nfs/dbraw/zinc/02/95/04/807029504.db2.gz ZPQFNKQLFUUKJO-QKHJWGRCSA-N 1 1 298.430 3.287 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)cn2)Cc2ccccc21 ZINC001144154021 804945833 /nfs/dbraw/zinc/94/58/33/804945833.db2.gz VVDPWBFGOLGXHN-CYBMUJFWSA-N 1 1 263.344 3.073 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)Cc2ccccc21 ZINC001144154021 804945835 /nfs/dbraw/zinc/94/58/35/804945835.db2.gz VVDPWBFGOLGXHN-CYBMUJFWSA-N 1 1 263.344 3.073 20 30 CGEDMO COc1cccc(CCC[N@@H+](C)Cc2ccc(C#N)cn2)c1 ZINC001144163805 804946399 /nfs/dbraw/zinc/94/63/99/804946399.db2.gz WUVKJHJTYHVDSM-UHFFFAOYSA-N 1 1 295.386 3.026 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2c[nH]c3nc(Cl)ccc23)CC1 ZINC001144415829 804984465 /nfs/dbraw/zinc/98/44/65/804984465.db2.gz NKUGOLGQDXCBRB-NSHDSACASA-N 1 1 288.782 3.342 20 30 CGEDMO CC(C)Sc1nccc(C[NH+]2CCC(CC#N)CC2)n1 ZINC001248832706 805010953 /nfs/dbraw/zinc/01/09/53/805010953.db2.gz ZEUHJUPVUIEZHP-UHFFFAOYSA-N 1 1 290.436 3.103 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc3scnc3c2)C1 ZINC001144739080 805048244 /nfs/dbraw/zinc/04/82/44/805048244.db2.gz SEKIBNQGDNTSBT-GFCCVEGCSA-N 1 1 271.389 3.422 20 30 CGEDMO C[C@H]1CC([N@@H+](CCC#N)Cc2ccccc2)C[C@H](C)O1 ZINC001257086688 807048346 /nfs/dbraw/zinc/04/83/46/807048346.db2.gz JPNRHABXKZTBQD-GJZGRUSLSA-N 1 1 272.392 3.358 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(CN(C(=O)c3cccc(C)c3)C2)C1 ZINC001146928631 805099155 /nfs/dbraw/zinc/09/91/55/805099155.db2.gz MBWKNNYPFJWDHQ-UHFFFAOYSA-N 1 1 298.430 3.109 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)CCC3CC3)C2)C1 ZINC001147244469 805117206 /nfs/dbraw/zinc/11/72/06/805117206.db2.gz FZWDNRUSJGKEDK-HNNXBMFYSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H](C)C(C)(C)C)C2)C1 ZINC001147787938 805149700 /nfs/dbraw/zinc/14/97/00/805149700.db2.gz NTOYXTJOHNXJLJ-HNNXBMFYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC2(CN(C(=O)CCCF)C2)C1 ZINC001148071953 805162109 /nfs/dbraw/zinc/16/21/09/805162109.db2.gz UUBREDVLIHSUDN-UHFFFAOYSA-N 1 1 296.430 3.017 20 30 CGEDMO N#Cc1cc(F)c(Nc2cc[nH+]cc2C(F)(F)F)cc1F ZINC001249589891 805183734 /nfs/dbraw/zinc/18/37/34/805183734.db2.gz JCDSQCYDZPSCDJ-UHFFFAOYSA-N 1 1 299.202 3.416 20 30 CGEDMO N#Cc1ccc(F)cc1Nc1cc[nH+]cc1C(F)(F)F ZINC001249590747 805184809 /nfs/dbraw/zinc/18/48/09/805184809.db2.gz ZOGYXRRFXRGXDI-UHFFFAOYSA-N 1 1 281.212 3.277 20 30 CGEDMO COc1cc(C#N)cc(Nc2cc[nH+]cc2C(F)(F)F)c1 ZINC001249594931 805184978 /nfs/dbraw/zinc/18/49/78/805184978.db2.gz WQPBVLMNOMRAGE-UHFFFAOYSA-N 1 1 293.248 3.146 20 30 CGEDMO N#Cc1cc(Nc2cc[nH+]cc2C(F)(F)F)cc(F)c1F ZINC001249594215 805185261 /nfs/dbraw/zinc/18/52/61/805185261.db2.gz YNJDPXJNZXFFSA-UHFFFAOYSA-N 1 1 299.202 3.416 20 30 CGEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)C(C)(C)CC(C)C)C2)C1 ZINC001148583374 805197416 /nfs/dbraw/zinc/19/74/16/805197416.db2.gz GUFMGCJVZNGYEU-UHFFFAOYSA-N 1 1 292.467 3.169 20 30 CGEDMO CCCCCCCCC(=O)N1CC2(C1)CC[N@@H+](CCF)C2 ZINC001148666286 805203685 /nfs/dbraw/zinc/20/36/85/805203685.db2.gz PABJPBFJSJQXMD-UHFFFAOYSA-N 1 1 298.446 3.241 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)C1CCCCC1 ZINC001151613847 805300353 /nfs/dbraw/zinc/30/03/53/805300353.db2.gz QYZLKEKVMFQCCR-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)/C=C(\C)C1CC1 ZINC001152135028 805335087 /nfs/dbraw/zinc/33/50/87/805335087.db2.gz QYGSSGOIMBJQQV-OKFGHLOFSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC(=O)NC[C@@H](C)[N@H+](CC)CC/C=C\CC ZINC001152313558 805343693 /nfs/dbraw/zinc/34/36/93/805343693.db2.gz QRIXEWMXIMZGNL-WKTRQSJXSA-N 1 1 266.429 3.136 20 30 CGEDMO C#CCCCCC(=O)NC[C@@H](C)[N@H+](CC)CC/C=C/CC ZINC001152873396 805372196 /nfs/dbraw/zinc/37/21/96/805372196.db2.gz LRLBKQPTXWBKHS-QXLXQBSBSA-N 1 1 292.467 3.363 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)c1ccsc1C ZINC001153214157 805386730 /nfs/dbraw/zinc/38/67/30/805386730.db2.gz JQCZIZNSPWQNDN-CYBMUJFWSA-N 1 1 294.464 3.463 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)c1cc(C)cs1 ZINC001153203201 805386769 /nfs/dbraw/zinc/38/67/69/805386769.db2.gz WINSJMZBLWIAFZ-CQSZACIVSA-N 1 1 294.464 3.463 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H](C)[N@H+](CC)C[C@H](C)CC ZINC001153626008 805408597 /nfs/dbraw/zinc/40/85/97/805408597.db2.gz UUEXVZVXWMZHNP-HUUCEWRRSA-N 1 1 268.445 3.215 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)CC(F)F ZINC001154361134 805451343 /nfs/dbraw/zinc/45/13/43/805451343.db2.gz XVEBJBUKSCJUCC-CHWSQXEVSA-N 1 1 290.398 3.071 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@]1(C)C=CCC1 ZINC001154700459 805478255 /nfs/dbraw/zinc/47/82/55/805478255.db2.gz XGMVTOPPCARGLN-NVXWUHKLSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)C1(CCCC)CC1 ZINC001155041368 805529165 /nfs/dbraw/zinc/52/91/65/805529165.db2.gz USAANZICLMZLGB-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H](C)[N@@H+](CC)CC[C@H](C)F)CCC1 ZINC001155061724 805531536 /nfs/dbraw/zinc/53/15/36/805531536.db2.gz FQDIDFLFXHQUMI-LSDHHAIUSA-N 1 1 298.446 3.308 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)C1(CCC)CC1 ZINC001155127006 805542306 /nfs/dbraw/zinc/54/23/06/805542306.db2.gz QGKBTHYERFQART-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H](C)[N@H+](CC)C[C@@H](C)CC)C1 ZINC001155127238 805542719 /nfs/dbraw/zinc/54/27/19/805542719.db2.gz VUKBUABXBUMFIM-DZGCQCFKSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)c1ccco1 ZINC001155206273 805556498 /nfs/dbraw/zinc/55/64/98/805556498.db2.gz WQDYSDSQUWZPQJ-HUUCEWRRSA-N 1 1 292.423 3.176 20 30 CGEDMO N#CC1CCC([N@@H+]2CCC[C@H]2C(=O)Nc2ccccc2)CC1 ZINC001256972142 807019839 /nfs/dbraw/zinc/01/98/39/807019839.db2.gz RLIMZRAQOPKTBX-PREGVCBESA-N 1 1 297.402 3.172 20 30 CGEDMO COc1cccc2c1CC[N@H+](C1CCC(C#N)CC1)C2 ZINC001256971322 807019947 /nfs/dbraw/zinc/01/99/47/807019947.db2.gz FNRLEVBSHGYIKQ-UHFFFAOYSA-N 1 1 270.376 3.136 20 30 CGEDMO CC[C@@H]1C[C@@H]([N@@H+](C)CCC#N)CCN1C(=O)OC(C)(C)C ZINC001257124141 807054928 /nfs/dbraw/zinc/05/49/28/807054928.db2.gz ZGPRMCYXYVEPFU-KGLIPLIRSA-N 1 1 295.427 3.010 20 30 CGEDMO CCOC(=O)c1ccc(C[C@H](C)[N@H+](CC)CCC#N)cc1 ZINC001257161326 807057710 /nfs/dbraw/zinc/05/77/10/807057710.db2.gz BYPTYOUVFSLOSK-AWEZNQCLSA-N 1 1 288.391 3.030 20 30 CGEDMO CCOC(=O)c1ccc(C[C@H](C)[N@@H+](CC)CCC#N)cc1 ZINC001257161326 807057713 /nfs/dbraw/zinc/05/77/13/807057713.db2.gz BYPTYOUVFSLOSK-AWEZNQCLSA-N 1 1 288.391 3.030 20 30 CGEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+]([C@@H](C)CCC)C2 ZINC001257319624 807105178 /nfs/dbraw/zinc/10/51/78/807105178.db2.gz ANNAPDNNPWQBOI-JYJNAYRXSA-N 1 1 267.413 3.001 20 30 CGEDMO C=C[C@@H]1C[C@@]1([NH2+]C(CCC)CCC)C(=O)OCC ZINC001257330410 807111844 /nfs/dbraw/zinc/11/18/44/807111844.db2.gz MESVXXFMXZQEJD-DOMZBBRYSA-N 1 1 253.386 3.053 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CCC(=O)OCCCC ZINC001257397827 807136735 /nfs/dbraw/zinc/13/67/35/807136735.db2.gz BOFWYSRCOQVDNW-CQSZACIVSA-N 1 1 255.402 3.396 20 30 CGEDMO C=CCN(Cc1ccccc1)c1[nH+]cnc2[nH]cc(C)c21 ZINC001167123331 807155941 /nfs/dbraw/zinc/15/59/41/807155941.db2.gz XNGPTQJSKUOREQ-UHFFFAOYSA-N 1 1 278.359 3.459 20 30 CGEDMO C=CCOC[C@H]1CCC[C@@]12C[N@H+](C1CCCCC1)CCO2 ZINC001257458225 807166946 /nfs/dbraw/zinc/16/69/46/807166946.db2.gz XUMBFWJUQGXOHF-SJLPKXTDSA-N 1 1 293.451 3.393 20 30 CGEDMO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](C1CCCCC1)C2 ZINC001257457972 807167276 /nfs/dbraw/zinc/16/72/76/807167276.db2.gz ORJVQRRNRZHSEC-ZWKOTPCHSA-N 1 1 293.451 3.393 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CCC[C@H](Cc2ccc(C)cc2)C1 ZINC001167264526 807173764 /nfs/dbraw/zinc/17/37/64/807173764.db2.gz MENFEYIKBSRBHR-QZTJIDSGSA-N 1 1 273.420 3.187 20 30 CGEDMO C=C1C[C@@H]2CC([NH2+][C@@H]3CCCN(C)CC3)C[C@H](C1)C2 ZINC001257886405 807238017 /nfs/dbraw/zinc/23/80/17/807238017.db2.gz DTOGCCKSRZXHSX-LVYZTWJOSA-N 1 1 262.441 3.195 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCC[C@H](F)C(=O)C3)C[C@H](C1)C2 ZINC001257891715 807241389 /nfs/dbraw/zinc/24/13/89/807241389.db2.gz NHGREGGQNVRMMD-IXXDHKBRSA-N 1 1 265.372 3.124 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CCC[C@H](O)[C@@H](C)C3)C[C@H](C1)C2 ZINC001257891816 807242974 /nfs/dbraw/zinc/24/29/74/807242974.db2.gz PEIHQRMPXOMTBA-REOARJMMSA-N 1 1 263.425 3.214 20 30 CGEDMO CSc1c[nH]c2nc[nH+]c(N[C@H]3CC[C@H](C#N)CC3)c12 ZINC001167842937 807261476 /nfs/dbraw/zinc/26/14/76/807261476.db2.gz SLWRPBIPBZMVDI-MGCOHNPYSA-N 1 1 287.392 3.174 20 30 CGEDMO CCCCCCC[C@@H](C)[NH2+][C@H](C(=O)OC)C1CCOCC1 ZINC001258042607 807272808 /nfs/dbraw/zinc/27/28/08/807272808.db2.gz RMFHRBQBDPSFGT-ZBFHGGJFSA-N 1 1 299.455 3.293 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1CCCN(C(C)=O)CC1 ZINC001258043217 807273452 /nfs/dbraw/zinc/27/34/52/807273452.db2.gz MLJCYMYMGKIJKT-OAHLLOKOSA-N 1 1 268.445 3.290 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1C[C@@H]2CCN(C)[C@@H]2C1 ZINC001258049351 807274902 /nfs/dbraw/zinc/27/49/02/807274902.db2.gz FPIYGAURWRRFMW-HRCADAONSA-N 1 1 252.446 3.371 20 30 CGEDMO CCCCCCC[C@H](C)[N@@H+]1CCO[C@@H](C(C)=O)C1 ZINC001258051213 807277182 /nfs/dbraw/zinc/27/71/82/807277182.db2.gz CJEKWYHEOHBOHV-DZGCQCFKSA-N 1 1 255.402 3.025 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CCO[C@@H](C(C)=O)C1 ZINC001258051213 807277186 /nfs/dbraw/zinc/27/71/86/807277186.db2.gz CJEKWYHEOHBOHV-DZGCQCFKSA-N 1 1 255.402 3.025 20 30 CGEDMO C=C1CC=C(F)C=C1[NH2+][C@H](C)CCCC(=O)OCC ZINC001258113017 807312552 /nfs/dbraw/zinc/31/25/52/807312552.db2.gz SILDRWJWBHBABI-GFCCVEGCSA-N 1 1 267.344 3.395 20 30 CGEDMO C[C@H](Cc1ccco1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001258191176 807351896 /nfs/dbraw/zinc/35/18/96/807351896.db2.gz BMQQYHUDFLTDEC-CYBMUJFWSA-N 1 1 254.333 3.214 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(N[C@H]2C[C@@H](CO)C2)cc1 ZINC001168245680 807364389 /nfs/dbraw/zinc/36/43/89/807364389.db2.gz CBPNSDPCXDPSQJ-FHLIZLRMSA-N 1 1 286.419 3.192 20 30 CGEDMO CCCCCCCCC[C@@H](C)[N@H+]1CC[C@@H](C(N)=O)C1 ZINC001258228529 807377541 /nfs/dbraw/zinc/37/75/41/807377541.db2.gz IGBAUFWBWANQQT-HUUCEWRRSA-N 1 1 268.445 3.323 20 30 CGEDMO CCCCCCCCC[C@@H](C)[N@@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC001258230009 807378329 /nfs/dbraw/zinc/37/83/29/807378329.db2.gz XEGKBIWKZMBRLR-ILXRZTDVSA-N 1 1 286.435 3.413 20 30 CGEDMO CCCCCCCCC[C@@H](C)[N@H+]1C[C@@H](F)C[C@H]1C(N)=O ZINC001258230009 807378338 /nfs/dbraw/zinc/37/83/38/807378338.db2.gz XEGKBIWKZMBRLR-ILXRZTDVSA-N 1 1 286.435 3.413 20 30 CGEDMO O=C1C=C2C[N@@H+](C3CCCCCCC3)CCC2S1 ZINC001258237463 807383094 /nfs/dbraw/zinc/38/30/94/807383094.db2.gz LHKOOAXBOKLXMC-CQSZACIVSA-N 1 1 265.422 3.373 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](C[C@H]2CCCC23CCOCC3)C1 ZINC001168384509 807399916 /nfs/dbraw/zinc/39/99/16/807399916.db2.gz ZPLMNRXMSSRLBQ-HZPDHXFCSA-N 1 1 276.424 3.209 20 30 CGEDMO CCC[N@@H+](CCC#N)C1CCN(c2cccc(F)c2)CC1 ZINC001258424002 807446016 /nfs/dbraw/zinc/44/60/16/807446016.db2.gz SGDGIJOFNNEFBD-UHFFFAOYSA-N 1 1 289.398 3.420 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)C(=O)OCC ZINC001258689548 807546383 /nfs/dbraw/zinc/54/63/83/807546383.db2.gz GLQIYFHECKSZBA-VWPFQQQWSA-N 1 1 279.424 3.299 20 30 CGEDMO C=CCC[C@H](C)[NH2+][C@@H](CCc1ccccc1)C(=O)OC ZINC001258723229 807571537 /nfs/dbraw/zinc/57/15/37/807571537.db2.gz YECUCDNSGXYKAT-HOCLYGCPSA-N 1 1 275.392 3.105 20 30 CGEDMO C=CCC[C@@H](C)[NH+]1CCC(N)(c2cccc(OC)c2)CC1 ZINC001258724136 807572250 /nfs/dbraw/zinc/57/22/50/807572250.db2.gz OBFDECDMZWYYAH-OAHLLOKOSA-N 1 1 288.435 3.300 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001258724796 807573465 /nfs/dbraw/zinc/57/34/65/807573465.db2.gz FBGAKRBPMDRCEH-AVGNSLFASA-N 1 1 279.346 3.366 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC001258725830 807573895 /nfs/dbraw/zinc/57/38/95/807573895.db2.gz NOVAPMKFYFGGNQ-NVXWUHKLSA-N 1 1 258.409 3.330 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C ZINC001258726781 807574781 /nfs/dbraw/zinc/57/47/81/807574781.db2.gz WTGQXLWGJBEANP-KKUMJFAQSA-N 1 1 294.439 3.425 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@]2(C1)COCCN(C(C)C)C2 ZINC001258727603 807574814 /nfs/dbraw/zinc/57/48/14/807574814.db2.gz IDIPIKXAEVMQBC-ROUUACIJSA-N 1 1 294.483 3.164 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001258732928 807579236 /nfs/dbraw/zinc/57/92/36/807579236.db2.gz RXGUNVDTKOIIJW-LBPRGKRZSA-N 1 1 261.365 3.201 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CC[C@H]1CN2C(=O)OC(C)(C)C ZINC001258733711 807579360 /nfs/dbraw/zinc/57/93/60/807579360.db2.gz MDORXFYZUIOKQO-ILXRZTDVSA-N 1 1 294.439 3.425 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CCc2cccc(C(=O)OC)c2C1 ZINC001258732821 807579711 /nfs/dbraw/zinc/57/97/11/807579711.db2.gz CENYMVUKVOTFQK-ZDUSSCGKSA-N 1 1 273.376 3.186 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1Cc2cccc(C(=O)OC)c2C1 ZINC001258734735 807580821 /nfs/dbraw/zinc/58/08/21/807580821.db2.gz IISOBRMVQQXIBA-GFCCVEGCSA-N 1 1 259.349 3.144 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1Cc2cccc(C(=O)OC)c2C1 ZINC001258734735 807580824 /nfs/dbraw/zinc/58/08/24/807580824.db2.gz IISOBRMVQQXIBA-GFCCVEGCSA-N 1 1 259.349 3.144 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC001258734819 807581051 /nfs/dbraw/zinc/58/10/51/807581051.db2.gz KBYLHEDTZMIZNT-KGLIPLIRSA-N 1 1 282.428 3.330 20 30 CGEDMO COc1ccc(Nc2c(C)cc[nH+]c2C)c(C#N)c1 ZINC001212780649 815135116 /nfs/dbraw/zinc/13/51/16/815135116.db2.gz ANXAUALTGXUYFP-UHFFFAOYSA-N 1 1 253.305 3.322 20 30 CGEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H]1CCC[C@@H](C)C1)C2 ZINC001258823684 807638321 /nfs/dbraw/zinc/63/83/21/807638321.db2.gz NNZVMVRSEKVDFR-VSZNYVQBSA-N 1 1 293.451 3.391 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H]1CCCC2(C1)OCCO2 ZINC001169955831 807730238 /nfs/dbraw/zinc/73/02/38/807730238.db2.gz LIDCXSXFGNTQTO-QGZVFWFLSA-N 1 1 287.403 3.360 20 30 CGEDMO CC#CC[N@H+]1CCCN(c2cccc(Cl)c2C)CC1 ZINC001170244324 807800553 /nfs/dbraw/zinc/80/05/53/807800553.db2.gz LPNRKEWZLFPNFD-UHFFFAOYSA-N 1 1 276.811 3.184 20 30 CGEDMO C#CC[N@H+](Cc1cccc(OC(C)(C)C)c1)C1CC1 ZINC001170376737 807832140 /nfs/dbraw/zinc/83/21/40/807832140.db2.gz MGNLQWQPEINQIE-UHFFFAOYSA-N 1 1 257.377 3.462 20 30 CGEDMO CSc1c[nH]c2nc[nH+]c(NCC#Cc3ccccc3)c12 ZINC001170425859 807838443 /nfs/dbraw/zinc/83/84/43/807838443.db2.gz HQPQUKYIEPGGTG-UHFFFAOYSA-N 1 1 294.383 3.095 20 30 CGEDMO C=CC[N@@H+](CCCc1cccnc1)CCc1ccco1 ZINC001262240923 807840727 /nfs/dbraw/zinc/84/07/27/807840727.db2.gz MLISAZIEMJUQHU-UHFFFAOYSA-N 1 1 270.376 3.338 20 30 CGEDMO C=CC[C@@H]1[N@H+](C[C@@H]2CCC3(COC3)O2)CCCC1(C)C ZINC001262276996 807845951 /nfs/dbraw/zinc/84/59/51/807845951.db2.gz VLOPWTPKUSPLKD-GJZGRUSLSA-N 1 1 279.424 3.001 20 30 CGEDMO COc1cccc(F)c1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC001262484778 807867511 /nfs/dbraw/zinc/86/75/11/807867511.db2.gz LZGJQUWBMWJZLE-QGZVFWFLSA-N 1 1 296.345 3.483 20 30 CGEDMO CCCCCCCC[N@@H+](CCN)[C@H]1CCCOCC1 ZINC001170792591 807907670 /nfs/dbraw/zinc/90/76/70/807907670.db2.gz PENMHTGJJNDJCD-INIZCTEOSA-N 1 1 270.461 3.177 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC001170814583 807914660 /nfs/dbraw/zinc/91/46/60/807914660.db2.gz VBRPWOOBENJDIG-INIZCTEOSA-N 1 1 294.439 3.476 20 30 CGEDMO C=CC[NH+]1CCN([C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC001170932570 807937193 /nfs/dbraw/zinc/93/71/93/807937193.db2.gz FQEBTGBKFGMBAI-OAHLLOKOSA-N 1 1 290.838 3.001 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+]([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170943096 807939847 /nfs/dbraw/zinc/93/98/47/807939847.db2.gz KSLHHNGZDSKPIB-CZUORRHYSA-N 1 1 274.795 3.433 20 30 CGEDMO C[C@]1(C#N)CC[N@H+]([C@@H]2CCc3cccc(Cl)c3C2)C1 ZINC001170943096 807939853 /nfs/dbraw/zinc/93/98/53/807939853.db2.gz KSLHHNGZDSKPIB-CZUORRHYSA-N 1 1 274.795 3.433 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1(CC)CCCCC1 ZINC001263821322 808008718 /nfs/dbraw/zinc/00/87/18/808008718.db2.gz QGJIPQOGDPTZGO-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(CC)CCCCC1 ZINC001263821322 808008721 /nfs/dbraw/zinc/00/87/21/808008721.db2.gz QGJIPQOGDPTZGO-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO COC(C)(C)[C@H]1CCC[N@H+]1[C@@H](C)Cc1cccc(C#N)c1 ZINC001171224547 808012035 /nfs/dbraw/zinc/01/20/35/808012035.db2.gz SYGOUNAPZGUXQL-WMLDXEAASA-N 1 1 286.419 3.379 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@H](c2cccnc2)C1 ZINC001171221691 808012517 /nfs/dbraw/zinc/01/25/17/808012517.db2.gz SHFLMISFHOPMMK-BEFAXECRSA-N 1 1 291.398 3.374 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001171319390 808025025 /nfs/dbraw/zinc/02/50/25/808025025.db2.gz CSZBYAQXGONWPO-NSHDSACASA-N 1 1 265.784 3.324 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CC(CC)CC ZINC001264186224 808045830 /nfs/dbraw/zinc/04/58/30/808045830.db2.gz USNIBXLBQMFRMT-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)C2CC2)CC(C)(C)C1 ZINC001264197307 808047421 /nfs/dbraw/zinc/04/74/21/808047421.db2.gz ZCVJQWDKPOINKB-ZBFHGGJFSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CC(C)C)C(C)(C)[C@H]21 ZINC001264584476 808078844 /nfs/dbraw/zinc/07/88/44/808078844.db2.gz WKEDRHGSCONKNP-OIISXLGYSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)CC(C)C)C[C@@H]2C1 ZINC001264654690 808083268 /nfs/dbraw/zinc/08/32/68/808083268.db2.gz WDCAEKWKCKHUPC-ZACQAIPSSA-N 1 1 292.467 3.025 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)C[C@H](CC)CCCC)[C@H]1C ZINC001264711269 808087919 /nfs/dbraw/zinc/08/79/19/808087919.db2.gz BSDIRPAEMVGQME-ZACQAIPSSA-N 1 1 292.467 3.195 20 30 CGEDMO N#CC1CC[NH+]([C@@H]2CCc3cc(F)c(F)c(F)c3C2)CC1 ZINC001171530459 808088533 /nfs/dbraw/zinc/08/85/33/808088533.db2.gz SDUCSKNLVFPKTO-GFCCVEGCSA-N 1 1 294.320 3.197 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@H]2CCc3c(C)cccc3C2)C1 ZINC001171573390 808100500 /nfs/dbraw/zinc/10/05/00/808100500.db2.gz HLFXSDFECVQWFG-RDJZCZTQSA-N 1 1 253.389 3.198 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC001171571816 808101026 /nfs/dbraw/zinc/10/10/26/808101026.db2.gz BRYTZERCHDXITN-WBVHZDCISA-N 1 1 253.389 3.452 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)c1ccc2[nH]ccc2c1 ZINC001265131025 808112760 /nfs/dbraw/zinc/11/27/60/808112760.db2.gz KTVPTJCUSHHVHQ-UHFFFAOYSA-N 1 1 299.418 3.186 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)C1CCC=CCC1 ZINC001265146113 808113575 /nfs/dbraw/zinc/11/35/75/808113575.db2.gz NHACPRXGQLZMGW-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C#CCCCCCC(=O)N[C@@H]1CCC[N@H+](CC=C(C)C)C1 ZINC001265223182 808120652 /nfs/dbraw/zinc/12/06/52/808120652.db2.gz RRCXEWLDAAEZBZ-QGZVFWFLSA-N 1 1 290.451 3.117 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C23CCC(CC2)C3)C1 ZINC001265289842 808126736 /nfs/dbraw/zinc/12/67/36/808126736.db2.gz DKAKCVKSQZXCSL-JBCIKUTRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](CC/C=C/CC)C1 ZINC001265306089 808128120 /nfs/dbraw/zinc/12/81/20/808128120.db2.gz JIUWVHYIOWJEIM-MVGZEHJDSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001265319697 808131523 /nfs/dbraw/zinc/13/15/23/808131523.db2.gz PYAKMGYUUSRODV-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)C[C@H]2CC=CCC2)C1 ZINC001265392837 808138441 /nfs/dbraw/zinc/13/84/41/808138441.db2.gz MTYFDPAHCMVKRF-DLBZAZTESA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)C2CCC2)C1 ZINC001265390286 808138602 /nfs/dbraw/zinc/13/86/02/808138602.db2.gz BEEOZFMQYZIHBZ-CVEARBPZSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001265394507 808138756 /nfs/dbraw/zinc/13/87/56/808138756.db2.gz CVISNLSRLOOMGK-HZPDHXFCSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(CCC)CCC ZINC001265411678 808141073 /nfs/dbraw/zinc/14/10/73/808141073.db2.gz PLJFIBZSOOLLGP-IYBDPMFKSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(CCC)CCC ZINC001265411678 808141075 /nfs/dbraw/zinc/14/10/75/808141075.db2.gz PLJFIBZSOOLLGP-IYBDPMFKSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@H+](CCCOc1ccccc1C)[C@H](C)COC ZINC001171915895 808153848 /nfs/dbraw/zinc/15/38/48/808153848.db2.gz IDBNSHYKQPBVMY-MRXNPFEDSA-N 1 1 277.408 3.287 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)C2=CCCC2)C1 ZINC001265579456 808156642 /nfs/dbraw/zinc/15/66/42/808156642.db2.gz FQRUFDRQRFAUGF-HOTGVXAUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)C2CCC2)C1 ZINC001265584292 808156719 /nfs/dbraw/zinc/15/67/19/808156719.db2.gz KEPHPZDCSAILLT-KBPBESRZSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)C2CCC2)C1 ZINC001265584292 808156722 /nfs/dbraw/zinc/15/67/22/808156722.db2.gz KEPHPZDCSAILLT-KBPBESRZSA-N 1 1 298.858 3.003 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](CCC)C(C)C)C1 ZINC001265593143 808158484 /nfs/dbraw/zinc/15/84/84/808158484.db2.gz QHIUUYHZBWITAP-JKSUJKDBSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCC[N@H+](CCCC)C1 ZINC001265590597 808158792 /nfs/dbraw/zinc/15/87/92/808158792.db2.gz CVEMURSMGMQBSA-RDJZCZTQSA-N 1 1 280.456 3.217 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](CC)CCCCC)C1 ZINC001265596598 808159976 /nfs/dbraw/zinc/15/99/76/808159976.db2.gz GQIRUUQKYNLOFJ-IRXDYDNUSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCCC[N@@H+]1CC1CC(C)(C)C1 ZINC001265641035 808163486 /nfs/dbraw/zinc/16/34/86/808163486.db2.gz OMJZUFNKMDTWAD-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CC1(N[C@H]2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171976103 808164104 /nfs/dbraw/zinc/16/41/04/808164104.db2.gz PLRNCWOHDBGASL-KRWDZBQOSA-N 1 1 282.431 3.185 20 30 CGEDMO C#CC1([NH2+][C@H]2CCN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC001171976103 808164107 /nfs/dbraw/zinc/16/41/07/808164107.db2.gz PLRNCWOHDBGASL-KRWDZBQOSA-N 1 1 282.431 3.185 20 30 CGEDMO CN(CC#N)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172073927 808169964 /nfs/dbraw/zinc/16/99/64/808169964.db2.gz FFAMMHYZLBEIBH-BCDXTJNWSA-N 1 1 283.419 3.027 20 30 CGEDMO C=C(C)CCC(=O)N[C@H](C)[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001265702730 808170809 /nfs/dbraw/zinc/17/08/09/808170809.db2.gz HDVSFAFTTPDUFA-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N(CCC#N)C1CCCC1)C2 ZINC001172120086 808184395 /nfs/dbraw/zinc/18/43/95/808184395.db2.gz CDUMUYAAQBLGRU-FVQHAEBGSA-N 1 1 275.440 3.160 20 30 CGEDMO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@H+](CCC#N)C1CCCC1)C2 ZINC001172120086 808184397 /nfs/dbraw/zinc/18/43/97/808184397.db2.gz CDUMUYAAQBLGRU-FVQHAEBGSA-N 1 1 275.440 3.160 20 30 CGEDMO CN1[C@@H]2CCC[C@H]1C[C@@H]([N@@H+](CCC#N)C1CCCC1)C2 ZINC001172120086 808184398 /nfs/dbraw/zinc/18/43/98/808184398.db2.gz CDUMUYAAQBLGRU-FVQHAEBGSA-N 1 1 275.440 3.160 20 30 CGEDMO CC#CC[N@@H+](C)CCCNC(=O)c1ccc(C2CCC2)cc1 ZINC001265857592 808188866 /nfs/dbraw/zinc/18/88/66/808188866.db2.gz GKQHNYYNTFJVKL-UHFFFAOYSA-N 1 1 298.430 3.029 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCNC(=O)c1ccc(CC)cc1 ZINC001265965073 808196797 /nfs/dbraw/zinc/19/67/97/808196797.db2.gz SNEMTSZQOMKXFP-UHFFFAOYSA-N 1 1 294.826 3.053 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCNC(=O)c1ccc(CC)cc1 ZINC001265965073 808196800 /nfs/dbraw/zinc/19/68/00/808196800.db2.gz SNEMTSZQOMKXFP-UHFFFAOYSA-N 1 1 294.826 3.053 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)CCCC)C1 ZINC001266099498 808211380 /nfs/dbraw/zinc/21/13/80/808211380.db2.gz GZTRIORGCXARIA-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)CCCC)C1 ZINC001266099197 808211819 /nfs/dbraw/zinc/21/18/19/808211819.db2.gz AWGCTBNARBYNCS-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO CCCCCCCC[N@H+](CCN)[C@H]1COC(C)(C)C1 ZINC001172278309 808212787 /nfs/dbraw/zinc/21/27/87/808212787.db2.gz RMTPYPWELYTRIZ-OAHLLOKOSA-N 1 1 270.461 3.175 20 30 CGEDMO CCCCCCCC[N@@H+](CCN)[C@H]1COC(C)(C)C1 ZINC001172278309 808212793 /nfs/dbraw/zinc/21/27/93/808212793.db2.gz RMTPYPWELYTRIZ-OAHLLOKOSA-N 1 1 270.461 3.175 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)N1CCC([NH3+])(CC2CC2)CC1 ZINC001172298760 808219771 /nfs/dbraw/zinc/21/97/71/808219771.db2.gz FRGLMCPDLCICAP-OAHLLOKOSA-N 1 1 297.446 3.083 20 30 CGEDMO CCN(CC)CC[N@H+](CC)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172305130 808221739 /nfs/dbraw/zinc/22/17/39/808221739.db2.gz BVNGWRCOIDTGKL-INIZCTEOSA-N 1 1 287.451 3.153 20 30 CGEDMO CCN(CC)CC[N@@H+](CC)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172305130 808221741 /nfs/dbraw/zinc/22/17/41/808221741.db2.gz BVNGWRCOIDTGKL-INIZCTEOSA-N 1 1 287.451 3.153 20 30 CGEDMO CC[N@@H+](Cc1ccncc1)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172307849 808222666 /nfs/dbraw/zinc/22/26/66/808222666.db2.gz HAHUYORSBNHWAX-HNNXBMFYSA-N 1 1 279.387 3.406 20 30 CGEDMO CC[N@@H+](Cc1cccnc1)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172308294 808223368 /nfs/dbraw/zinc/22/33/68/808223368.db2.gz VZQHGXDZDKKCJH-OAHLLOKOSA-N 1 1 279.387 3.406 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC001172314411 808224484 /nfs/dbraw/zinc/22/44/84/808224484.db2.gz JKJRFJKABSUEAV-OLZOCXBDSA-N 1 1 278.346 3.466 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@@H]1c1cnccn1 ZINC001172318599 808228319 /nfs/dbraw/zinc/22/83/19/808228319.db2.gz HMQZOEGOTCZDNQ-KBXCAEBGSA-N 1 1 292.386 3.116 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)coc2C)C1 ZINC001266216783 808228291 /nfs/dbraw/zinc/22/82/91/808228291.db2.gz WICBYQVVCYWPHA-OAHLLOKOSA-N 1 1 290.407 3.057 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1CCC[N@@H+](CCC(C)C)C1 ZINC001266237237 808231252 /nfs/dbraw/zinc/23/12/52/808231252.db2.gz RQJDODDVYDSUFT-HZPDHXFCSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H](CC)CC(C)C ZINC001266240886 808232102 /nfs/dbraw/zinc/23/21/02/808232102.db2.gz FNWDFQSXXVZUGR-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](C)C(C)(C)C ZINC001266288751 808236712 /nfs/dbraw/zinc/23/67/12/808236712.db2.gz OHYJTCLIBPJVBJ-KGLIPLIRSA-N 1 1 268.445 3.071 20 30 CGEDMO C=C(C)C[N@@H+](C)CCNC(=O)CCCCC(C)(C)C ZINC001266278741 808237098 /nfs/dbraw/zinc/23/70/98/808237098.db2.gz QNPOEJUPERUVRL-UHFFFAOYSA-N 1 1 268.445 3.217 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)CC2CCCC2)C1 ZINC001266298874 808238503 /nfs/dbraw/zinc/23/85/03/808238503.db2.gz JUIAQTXKQDRNQI-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)C=C2CCCCC2)C1 ZINC001266305028 808240042 /nfs/dbraw/zinc/24/00/42/808240042.db2.gz JBOWDAAETNEIMT-RDJZCZTQSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001266338834 808244113 /nfs/dbraw/zinc/24/41/13/808244113.db2.gz DQZDVVMRXKJHCL-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC001172355598 808251256 /nfs/dbraw/zinc/25/12/56/808251256.db2.gz OZTDKQJSIWNMDT-HUUCEWRRSA-N 1 1 268.445 3.323 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@H]1C(=O)OC ZINC001172355860 808251360 /nfs/dbraw/zinc/25/13/60/808251360.db2.gz DSJGTBHJLYSBPD-KBPBESRZSA-N 1 1 255.402 3.373 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC001172356564 808252360 /nfs/dbraw/zinc/25/23/60/808252360.db2.gz WZSFTIZTZFKGQG-CABCVRRESA-N 1 1 289.485 3.244 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@@H+]1CCc2nncn2CC1 ZINC001172358582 808254256 /nfs/dbraw/zinc/25/42/56/808254256.db2.gz QJHVANDBRMAPCH-OAHLLOKOSA-N 1 1 278.444 3.275 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)CCCC#CC ZINC001266476652 808272497 /nfs/dbraw/zinc/27/24/97/808272497.db2.gz AGSALWLIYRSULW-DLBZAZTESA-N 1 1 290.451 3.115 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](CNC(=O)C(C)C)C1 ZINC001266500314 808276984 /nfs/dbraw/zinc/27/69/84/808276984.db2.gz QHQRNWACKUCHMO-OAHLLOKOSA-N 1 1 268.445 3.051 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCCCC ZINC001266499002 808277764 /nfs/dbraw/zinc/27/77/64/808277764.db2.gz LTPOJJZTBLIJOU-IYBDPMFKSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)C(CC)CC)C1 ZINC001266754395 808312543 /nfs/dbraw/zinc/31/25/43/808312543.db2.gz BXEPSXFGFADKGQ-GJZGRUSLSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC[N@H+](CC[C@@H](C)F)C1 ZINC001266758417 808314134 /nfs/dbraw/zinc/31/41/34/808314134.db2.gz SKFFVNHBAHJGOI-CABCVRRESA-N 1 1 298.446 3.165 20 30 CGEDMO C[C@H](CCCC#N)[NH+]1CCC(N)(c2ccc(F)cc2)CC1 ZINC001172488976 808349089 /nfs/dbraw/zinc/34/90/89/808349089.db2.gz XKUYANZTYVHESW-CQSZACIVSA-N 1 1 289.398 3.158 20 30 CGEDMO COc1ccccc1O[C@H]1CC[N@H+]([C@@H](C)CCCC#N)C1 ZINC001172499098 808355749 /nfs/dbraw/zinc/35/57/49/808355749.db2.gz UZOJMBSHFVZFGX-GJZGRUSLSA-N 1 1 288.391 3.231 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]([N@@H+](C)CC2CCCC2)C1 ZINC001267101373 808357892 /nfs/dbraw/zinc/35/78/92/808357892.db2.gz SNHWQRKQMHHJNI-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)C[C@H](C)SC)C1 ZINC001267103095 808357979 /nfs/dbraw/zinc/35/79/79/808357979.db2.gz SDDSQJJIMYEXFJ-GJZGRUSLSA-N 1 1 298.496 3.017 20 30 CGEDMO COc1cccc(CC[N@@H+](C)[C@H](C)CCCC#N)c1 ZINC001172502814 808359310 /nfs/dbraw/zinc/35/93/10/808359310.db2.gz XCIYEEWVZWIHMN-CQSZACIVSA-N 1 1 260.381 3.252 20 30 CGEDMO C[C@@H](CCCC#N)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC001172507520 808364554 /nfs/dbraw/zinc/36/45/54/808364554.db2.gz VQUSFRRWKRBMKR-INIZCTEOSA-N 1 1 283.419 3.029 20 30 CGEDMO C[C@@H](CCCC#N)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC001172507520 808364561 /nfs/dbraw/zinc/36/45/61/808364561.db2.gz VQUSFRRWKRBMKR-INIZCTEOSA-N 1 1 283.419 3.029 20 30 CGEDMO CCCCCCC[C@H](CCC)[N@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC001172508906 808366960 /nfs/dbraw/zinc/36/69/60/808366960.db2.gz QMCCSQNWBZWLER-IKGGRYGDSA-N 1 1 285.472 3.191 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)C(C)(C)CC ZINC001267175682 808373970 /nfs/dbraw/zinc/37/39/70/808373970.db2.gz SYCFEAZFSCXZCP-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC(=O)NCC[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001267188086 808377255 /nfs/dbraw/zinc/37/72/55/808377255.db2.gz DHMXLANATFWLTP-CYBMUJFWSA-N 1 1 294.826 3.415 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC[N@H+](C)Cc1ccc(C)cc1 ZINC001267210881 808381787 /nfs/dbraw/zinc/38/17/87/808381787.db2.gz PIKIIANBDHNXLK-UHFFFAOYSA-N 1 1 288.435 3.145 20 30 CGEDMO C=C(C)CC[N@H+](C)CCNC(=O)[C@H]1CCCC[C@@H]1CC ZINC001267224344 808386469 /nfs/dbraw/zinc/38/64/69/808386469.db2.gz CKCDGJJSNYUQBN-HOTGVXAUSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)[C@@H]1CCCC[C@H]1C1CC1 ZINC001267246845 808394232 /nfs/dbraw/zinc/39/42/32/808394232.db2.gz PSRIHGWMGVZRDU-DLBZAZTESA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)c1ccc(CF)cc1 ZINC001267257229 808396172 /nfs/dbraw/zinc/39/61/72/808396172.db2.gz SETMUGTUCLXCGW-UHFFFAOYSA-N 1 1 292.398 3.174 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1coc(C)c1 ZINC001267266278 808401343 /nfs/dbraw/zinc/40/13/43/808401343.db2.gz IOAROAOFCMZIEU-CJNGLKHVSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@H]1CCC[C@@H](C(=O)OC)C1 ZINC001172628447 808404201 /nfs/dbraw/zinc/40/42/01/808404201.db2.gz JUUNWZGTVKJTSX-SJORKVTESA-N 1 1 287.403 3.406 20 30 CGEDMO C=CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)CCC=C ZINC001267533264 808441229 /nfs/dbraw/zinc/44/12/29/808441229.db2.gz YWPAIVGRRXTLRQ-ZACQAIPSSA-N 1 1 290.451 3.373 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H](C)CC)C1 ZINC001267539889 808442744 /nfs/dbraw/zinc/44/27/44/808442744.db2.gz VKLZWVLZFZOKSU-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C1CC(C)(C(=O)NCC[C@@H]2CC[N@H+](CCCCC)C2)C1 ZINC001267565615 808448298 /nfs/dbraw/zinc/44/82/98/808448298.db2.gz QOOAUWNJHQSJOO-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001267570335 808449647 /nfs/dbraw/zinc/44/96/47/808449647.db2.gz MZHXLNZJOJURRF-NVXWUHKLSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@]2(C)CC=CCC2)C1 ZINC001267584231 808452879 /nfs/dbraw/zinc/45/28/79/808452879.db2.gz YUJZQLJSUWIHMT-SJLPKXTDSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)C2CCC(=C)CC2)C1 ZINC001267587543 808453501 /nfs/dbraw/zinc/45/35/01/808453501.db2.gz ALQUDEWTZDWOPK-INIZCTEOSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@]2(C)CC=CCC2)C1 ZINC001267584227 808453836 /nfs/dbraw/zinc/45/38/36/808453836.db2.gz YUJZQLJSUWIHMT-AEFFLSMTSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC(C[N@H+](C)CCC)CC1 ZINC001267602818 808457266 /nfs/dbraw/zinc/45/72/66/808457266.db2.gz HPPCUBFLNWQGOO-QGZVFWFLSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C[C@H](C)CCC)C1 ZINC001267623121 808461123 /nfs/dbraw/zinc/46/11/23/808461123.db2.gz CGNYUCZFEHQPOC-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)CCC)C1 ZINC001267636940 808461967 /nfs/dbraw/zinc/46/19/67/808461967.db2.gz BUIFRDZNKRVOMF-HOTGVXAUSA-N 1 1 280.456 3.169 20 30 CGEDMO C#CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](CC)CCCC)C1 ZINC001267633376 808463117 /nfs/dbraw/zinc/46/31/17/808463117.db2.gz XWERQBLNCCLXKF-IAGOWNOFSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@H](C[N@@H+](C)CC(=C)Cl)C1 ZINC001267684841 808471509 /nfs/dbraw/zinc/47/15/09/808471509.db2.gz SOMXETRGEHCQRU-ZBFHGGJFSA-N 1 1 298.858 3.122 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001267749983 808483001 /nfs/dbraw/zinc/48/30/01/808483001.db2.gz WHLYXLXMIHYLDP-PBHICJAKSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CC(C)(C)C)C1 ZINC001267756191 808485339 /nfs/dbraw/zinc/48/53/39/808485339.db2.gz ASEWTTYALRAISV-LSDHHAIUSA-N 1 1 280.456 3.310 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N(C)[C@H]1CC[N@@H+](CCC(=C)C)C1 ZINC001267770958 808487822 /nfs/dbraw/zinc/48/78/22/808487822.db2.gz WCRLEKHPUZXKMO-HOTGVXAUSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)C2(F)CCCCC2)C1 ZINC001267773605 808488669 /nfs/dbraw/zinc/48/86/69/808488669.db2.gz AALUJHJNZPHNMH-HNNXBMFYSA-N 1 1 296.430 3.158 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)C2(CCCC)CC2)C1 ZINC001267772062 808489208 /nfs/dbraw/zinc/48/92/08/808489208.db2.gz SDVOWJYVUYTPAE-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CC=CCC2)C1 ZINC001267957154 808521998 /nfs/dbraw/zinc/52/19/98/808521998.db2.gz YGQOZCBJEHMUHW-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CCC(=O)N1CCC2(CC[N@@H+](CC(=C)C)C2)CC1 ZINC001267973225 808522680 /nfs/dbraw/zinc/52/26/80/808522680.db2.gz IUDVGQXFTDECDH-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001173234258 808542499 /nfs/dbraw/zinc/54/24/99/808542499.db2.gz QPVJQZKTAXQMNT-WNOSKKOXSA-N 1 1 299.374 3.292 20 30 CGEDMO CCc1ccc(C[C@@H](C)[N@H+]2CCC[C@@H](C#N)C2)cc1 ZINC001173242959 808549867 /nfs/dbraw/zinc/54/98/67/808549867.db2.gz JNSVZIQLXVRMSX-PBHICJAKSA-N 1 1 256.393 3.416 20 30 CGEDMO C=CC[C@H]([NH2+][C@@H](CCCC)CC(C)C)C(=O)OC ZINC001173251318 808558215 /nfs/dbraw/zinc/55/82/15/808558215.db2.gz AROIPZSMXLJIMA-KBPBESRZSA-N 1 1 255.402 3.299 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001268446293 808588217 /nfs/dbraw/zinc/58/82/17/808588217.db2.gz HCXREJRJOWHPIS-YJBOKZPZSA-N 1 1 292.467 3.338 20 30 CGEDMO C=CCOC1CCC([NH2+][C@H]2CCN(C(C)C)C[C@H]2C)CC1 ZINC001173319581 808609835 /nfs/dbraw/zinc/60/98/35/808609835.db2.gz NCNRPMFNWITSBW-CPFNUKBASA-N 1 1 294.483 3.209 20 30 CGEDMO COC(C)(C)[C@H]1CCC[N@H+]1C1CCC(CC#N)CC1 ZINC001173340126 808619788 /nfs/dbraw/zinc/61/97/88/808619788.db2.gz YVDAWLMUPMDKHO-YMAMQOFZSA-N 1 1 264.413 3.348 20 30 CGEDMO C=CCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC001268969584 808639242 /nfs/dbraw/zinc/63/92/42/808639242.db2.gz CBZGXZDSKMBTBQ-IRXDYDNUSA-N 1 1 298.430 3.074 20 30 CGEDMO C=CCC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC001268969584 808639244 /nfs/dbraw/zinc/63/92/44/808639244.db2.gz CBZGXZDSKMBTBQ-IRXDYDNUSA-N 1 1 298.430 3.074 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](C2Cc3cc(F)c(F)cc3C2)CC1 ZINC001173488096 808644503 /nfs/dbraw/zinc/64/45/03/808644503.db2.gz UQDIOZPQLJTUDE-LLVKDONJSA-N 1 1 276.330 3.058 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001269134626 808650411 /nfs/dbraw/zinc/65/04/11/808650411.db2.gz PQNSPWFRNCWQRG-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]1CNC(=O)c1occc1C ZINC001269194362 808652876 /nfs/dbraw/zinc/65/28/76/808652876.db2.gz HIXHRCRBULBDRZ-OAHLLOKOSA-N 1 1 290.407 3.139 20 30 CGEDMO CCCC[N@H+](CC#N)C1CCC2(C[C@H]2C(=O)OCC)CC1 ZINC001173618293 808654112 /nfs/dbraw/zinc/65/41/12/808654112.db2.gz FPWHJRFKPMOBQQ-CKDBGZEDSA-N 1 1 292.423 3.124 20 30 CGEDMO CCCC[N@@H+](CC#N)C1CCC2(C[C@H]2C(=O)OCC)CC1 ZINC001173618293 808654115 /nfs/dbraw/zinc/65/41/15/808654115.db2.gz FPWHJRFKPMOBQQ-CKDBGZEDSA-N 1 1 292.423 3.124 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2coc(C)c2)C1 ZINC001269232960 808658202 /nfs/dbraw/zinc/65/82/02/808658202.db2.gz BPRCBZMCUMFXPB-CZUORRHYSA-N 1 1 290.407 3.089 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)C(C)(C)C)C1 ZINC001269250570 808660190 /nfs/dbraw/zinc/66/01/90/808660190.db2.gz GHHUPNDWYBAWKX-HUUCEWRRSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC=CCC2)C1 ZINC001269263679 808661197 /nfs/dbraw/zinc/66/11/97/808661197.db2.gz SVEWNSWINQXWDI-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173760657 808670591 /nfs/dbraw/zinc/67/05/91/808670591.db2.gz QKADMRCOGHRFFC-HUUCEWRRSA-N 1 1 279.432 3.059 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H](C)C2CCC2)C1 ZINC001269332437 808671699 /nfs/dbraw/zinc/67/16/99/808671699.db2.gz QVYXBHHWZRPPSM-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@]2(CCN(C(=O)C3(C)CC3)C2)C1 ZINC001269732298 808702843 /nfs/dbraw/zinc/70/28/43/808702843.db2.gz QPYTYZSUCMWGSS-YJBOKZPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)SC)C1 ZINC001270548742 808735238 /nfs/dbraw/zinc/73/52/38/808735238.db2.gz LRRRNNWBPRRKTO-HOCLYGCPSA-N 1 1 298.496 3.065 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@](C)(NC(=O)/C=C(\C)CC)C1 ZINC001270584641 808737972 /nfs/dbraw/zinc/73/79/72/808737972.db2.gz UXCNNIKYDYABGG-DVINNUGASA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCCCCCCCC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2C ZINC001270884260 808750503 /nfs/dbraw/zinc/75/05/03/808750503.db2.gz KFWBSLGUZGDUFF-HOTGVXAUSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)C(C)C)C1 ZINC001270966261 808756136 /nfs/dbraw/zinc/75/61/36/808756136.db2.gz WSLQBKRLKSILHE-SFHVURJKSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C)C(C)(C)C)C1 ZINC001270966276 808756401 /nfs/dbraw/zinc/75/64/01/808756401.db2.gz WXEDGEHDWWRKDR-QAPCUYQASA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]2C[N@@H+](CCC3CC3)C[C@H]21 ZINC001272079149 808796523 /nfs/dbraw/zinc/79/65/23/808796523.db2.gz YSIMEIJVCREEIK-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)CCC(C)C)CC[C@H]21 ZINC001272197424 808799869 /nfs/dbraw/zinc/79/98/69/808799869.db2.gz UBGPLDGXPNHIPF-LSDHHAIUSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2C[C@@H](C)CCC ZINC001272432101 808809314 /nfs/dbraw/zinc/80/93/14/808809314.db2.gz ZDSKKMHJCPMLGR-FUHWJXTLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(C)ccc2C)C1=O ZINC001272638052 808818630 /nfs/dbraw/zinc/81/86/30/808818630.db2.gz DZXNNTBSAVCILM-IBGZPJMESA-N 1 1 298.430 3.056 20 30 CGEDMO Cc1cc(C#N)cc(C#N)c1Nc1cc[nH+]c2ccccc12 ZINC001174040026 808838746 /nfs/dbraw/zinc/83/87/46/808838746.db2.gz NZBWKSZKCJBNGJ-UHFFFAOYSA-N 1 1 284.322 3.452 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)/C(C)=C/CC ZINC001273489130 808848602 /nfs/dbraw/zinc/84/86/02/808848602.db2.gz XDAPMXGEMUKUBV-OQLLNIDSSA-N 1 1 266.429 3.089 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2[C@H](C)CC ZINC001273495047 808849135 /nfs/dbraw/zinc/84/91/35/808849135.db2.gz MKKNPMDWKLXNBR-BZUAXINKSA-N 1 1 278.440 3.207 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)CC(C)(C)C1CC1 ZINC001273507724 808849512 /nfs/dbraw/zinc/84/95/12/808849512.db2.gz KWMVSGYPIVIRMZ-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCCC[N@@H+]1CCCC[C@]12CC(=O)N(CC(=C)C)C2 ZINC001273500948 808850108 /nfs/dbraw/zinc/85/01/08/808850108.db2.gz OQYWNQHIRCRWKH-GOSISDBHSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N(C)CCC[N@@H+](C)CC(C)C ZINC001273554550 808853239 /nfs/dbraw/zinc/85/32/39/808853239.db2.gz YBLGUBQMSDGSBS-INIZCTEOSA-N 1 1 268.445 3.025 20 30 CGEDMO C=CC[N@H+](C)CCCN(C)C(=O)[C@@H](C)[C@H](C)C(C)(C)C ZINC001273571931 808855202 /nfs/dbraw/zinc/85/52/02/808855202.db2.gz SHCDPFCYFCJAOX-GJZGRUSLSA-N 1 1 282.472 3.271 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)C2(C)CCC2)C(C)(C)C1 ZINC001274445801 808876579 /nfs/dbraw/zinc/87/65/79/808876579.db2.gz KAQUCYAFFXBSKL-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)CCC(=C)C)C(C)(C)C1 ZINC001274437560 808876675 /nfs/dbraw/zinc/87/66/75/808876675.db2.gz VOSYXVJQNXJCLL-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@]2(CN(C3CCCC3)CCO2)C1 ZINC001274964365 808894999 /nfs/dbraw/zinc/89/49/99/808894999.db2.gz KVVFKKZPHYVKRW-GOSISDBHSA-N 1 1 292.467 3.062 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](CC)CCCC ZINC001275086545 808906168 /nfs/dbraw/zinc/90/61/68/808906168.db2.gz DCDRYRIYPIRARA-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)c1ccsc1C ZINC001275107473 808909160 /nfs/dbraw/zinc/90/91/60/808909160.db2.gz CSESZPSYUBKJNU-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)CCCC[C@@H](C)CC ZINC001275114981 808910514 /nfs/dbraw/zinc/91/05/14/808910514.db2.gz MNNGADARFQQFNY-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]1C[N@H+](C)CC[C@@H](C)F ZINC001275113657 808910574 /nfs/dbraw/zinc/91/05/74/808910574.db2.gz BZDCZKLMBISZRZ-CABCVRRESA-N 1 1 284.419 3.014 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCC1 ZINC001275135067 808914026 /nfs/dbraw/zinc/91/40/26/808914026.db2.gz FSSYRGDNBYKRJE-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@H](C)NC(=O)c1occc1Cl ZINC001275647439 808954524 /nfs/dbraw/zinc/95/45/24/808954524.db2.gz AXGATNMMTAWISE-RYUDHWBXSA-N 1 1 298.814 3.338 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)c1cc(C)ccc1F ZINC001275666504 808957880 /nfs/dbraw/zinc/95/78/80/808957880.db2.gz YDKRGZFBDYNJLM-CQSZACIVSA-N 1 1 292.398 3.150 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)CC1CCCCC1 ZINC001275945978 808979124 /nfs/dbraw/zinc/97/91/24/808979124.db2.gz QCXWZZKCKUEYOV-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001275962278 808979967 /nfs/dbraw/zinc/97/99/67/808979967.db2.gz DXTHXOKEFIHZGF-BRWVUGGUSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H](F)CC1CCCCC1 ZINC001275976339 808981299 /nfs/dbraw/zinc/98/12/99/808981299.db2.gz CCZFCBRPYKSRPI-GOEBONIOSA-N 1 1 298.446 3.308 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCCC1(C)C ZINC001276010791 808983878 /nfs/dbraw/zinc/98/38/78/808983878.db2.gz KEZZGRFZOLQHJX-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc[nH]1 ZINC001276035468 808984971 /nfs/dbraw/zinc/98/49/71/808984971.db2.gz HWXRJCIXUIURIG-ROUUACIJSA-N 1 1 287.451 3.410 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)C=C1CCC1 ZINC001276289615 808999336 /nfs/dbraw/zinc/99/93/36/808999336.db2.gz NNRCRVUQUIWHBM-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO N#Cc1ccsc1Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC001174444279 809017371 /nfs/dbraw/zinc/01/73/71/809017371.db2.gz YTVXIXHGFPAWTL-UHFFFAOYSA-N 1 1 299.399 3.196 20 30 CGEDMO C=CCCCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001276649927 809023300 /nfs/dbraw/zinc/02/33/00/809023300.db2.gz CAHGUVFGTSWBLD-MSOLQXFVSA-N 1 1 298.430 3.076 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)C(F)=C1CCCC1 ZINC001276833825 809035754 /nfs/dbraw/zinc/03/57/54/809035754.db2.gz GOZHEINWIOXJSP-UKRRQHHQSA-N 1 1 294.414 3.329 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccsc1 ZINC001276915514 809044030 /nfs/dbraw/zinc/04/40/30/809044030.db2.gz BSXWEHXSDKXNDC-GDBMZVCRSA-N 1 1 292.448 3.041 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@H]1CC[N@H+]1Cc1ccsc1 ZINC001276915514 809044038 /nfs/dbraw/zinc/04/40/38/809044038.db2.gz BSXWEHXSDKXNDC-GDBMZVCRSA-N 1 1 292.448 3.041 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CNC(=O)C[C@@H](C)C1CCCCC1 ZINC001276940025 809047626 /nfs/dbraw/zinc/04/76/26/809047626.db2.gz JEOZXNVHZFEFHU-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO N#Cc1ccc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCCC2)cc1 ZINC001276960717 809050708 /nfs/dbraw/zinc/05/07/08/809050708.db2.gz PDWAWZLYDVIMJK-HDICACEKSA-N 1 1 281.403 3.154 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@@H]1[C@@H]1CC[N@H+](CC(=C)C)C1 ZINC001277282503 809067828 /nfs/dbraw/zinc/06/78/28/809067828.db2.gz BZYOHYQJXBDVPK-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)C2(C)CC(=C)C2)CC1 ZINC001277423553 809074772 /nfs/dbraw/zinc/07/47/72/809074772.db2.gz RSNRSPYFNUFWTE-UHFFFAOYSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[C@@H](C)CCC)C2)C1 ZINC001277508880 809078322 /nfs/dbraw/zinc/07/83/22/809078322.db2.gz DHQMNRDOKUJHQC-FUHWJXTLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C/C(C)=C\CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(=C)C ZINC001278315820 809125401 /nfs/dbraw/zinc/12/54/01/809125401.db2.gz VDCAQAZZIPJNSC-DUEUMOEASA-N 1 1 288.435 3.150 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)CC(C)(C)C3CC3)CCC[C@H]12 ZINC001278445017 809134771 /nfs/dbraw/zinc/13/47/71/809134771.db2.gz HRKVPBDAEPHSOI-YJBOKZPZSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)/C=C(\C)CC)[C@H]1C ZINC001278504969 809139265 /nfs/dbraw/zinc/13/92/65/809139265.db2.gz GZKPROVFPJDOEZ-CACDNMLQSA-N 1 1 284.831 3.064 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)/C=C(\C)CC)[C@H]1C ZINC001278504969 809139267 /nfs/dbraw/zinc/13/92/67/809139267.db2.gz GZKPROVFPJDOEZ-CACDNMLQSA-N 1 1 284.831 3.064 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@]1(C)CCC[N@@H+](C/C=C\Cl)C1 ZINC001278664151 809150549 /nfs/dbraw/zinc/15/05/49/809150549.db2.gz VESJSKNTCDXRMY-MEMKZHQFSA-N 1 1 298.858 3.314 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)CCCC2CC2)C1 ZINC001278672323 809150871 /nfs/dbraw/zinc/15/08/71/809150871.db2.gz IRMSKFMMQSRXSI-SFHVURJKSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)[C@H]1CCC[C@@H](F)C1)C(C)C ZINC001278908859 809155829 /nfs/dbraw/zinc/15/58/29/809155829.db2.gz YWWXGFHMNBXURI-JKSUJKDBSA-N 1 1 298.446 3.260 20 30 CGEDMO C=C(C)CCC(=O)N1C[C@@H]2C[N@@H+](CC/C=C\CC)C[C@@H]2C1 ZINC001279370526 809171565 /nfs/dbraw/zinc/17/15/65/809171565.db2.gz FGRPBIXYYLTFHG-YKZUCCNHSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CCCF ZINC001279585466 809175639 /nfs/dbraw/zinc/17/56/39/809175639.db2.gz BQYHMRIWMJAEGE-LSDHHAIUSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)C[C@@H](CC)C(C)(C)C)CC1 ZINC001279669253 809177653 /nfs/dbraw/zinc/17/76/53/809177653.db2.gz WJYLFBIBQNZQTI-MRXNPFEDSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](C[C@H]2CCCC23CCOCC3)C1 ZINC001174889997 809191673 /nfs/dbraw/zinc/19/16/73/809191673.db2.gz CKPSSLOAQPJXGT-JKSUJKDBSA-N 1 1 263.425 3.481 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](C[Si](C)(C)c2ccccc2)C1 ZINC001174890557 809191850 /nfs/dbraw/zinc/19/18/50/809191850.db2.gz JGSZZFZUJQEXPC-OAHLLOKOSA-N 1 1 259.469 3.039 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](C[C@@H]2CCCC23CCOCC3)C1 ZINC001174889992 809192285 /nfs/dbraw/zinc/19/22/85/809192285.db2.gz CKPSSLOAQPJXGT-HOTGVXAUSA-N 1 1 263.425 3.481 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)CC(C)C)CC1 ZINC001280770289 809197654 /nfs/dbraw/zinc/19/76/54/809197654.db2.gz OLRAACKXMGMDKQ-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C[C@H](C)C2CC2)CC1 ZINC001280776883 809199098 /nfs/dbraw/zinc/19/90/98/809199098.db2.gz MCGXWUMUOSIILJ-WFASDCNBSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@]2(CC[N@H+](CC(=C)Cl)C2)C1 ZINC001281086750 809205766 /nfs/dbraw/zinc/20/57/66/809205766.db2.gz RDFJTMDDWQUEDV-INIZCTEOSA-N 1 1 296.842 3.020 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)C(C)(CC)CC)C(C)(C)C1 ZINC001281566142 809214592 /nfs/dbraw/zinc/21/45/92/809214592.db2.gz DTOBWKSZRPECBC-HNNXBMFYSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)C(C)(C)C)C(C)(C)C1 ZINC001281559321 809214981 /nfs/dbraw/zinc/21/49/81/809214981.db2.gz WVGJHNLKGAWTMI-HUUCEWRRSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCC(=O)NC[C@H]1c2ccccc2CC[N@@H+]1CCC ZINC001281775694 809221220 /nfs/dbraw/zinc/22/12/20/809221220.db2.gz DFBQLUUBXAHTBQ-KRWDZBQOSA-N 1 1 286.419 3.078 20 30 CGEDMO C#CCC[N@H+](CC)CC1CCN(C(=O)CCC(C)C)CC1 ZINC001281825790 809221388 /nfs/dbraw/zinc/22/13/88/809221388.db2.gz YBYRSNCHYCUQPX-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)CCC1CC1 ZINC001281930219 809224067 /nfs/dbraw/zinc/22/40/67/809224067.db2.gz URKVTBBHQFKQDJ-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@]1(C)C=CCC1 ZINC001281953356 809225573 /nfs/dbraw/zinc/22/55/73/809225573.db2.gz UMLSSDNXGZYGGM-AEFFLSMTSA-N 1 1 290.451 3.232 20 30 CGEDMO CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@](C)(CC)CCC ZINC001281965902 809226824 /nfs/dbraw/zinc/22/68/24/809226824.db2.gz YKKJIZDZFZFUBR-WMZOPIPTSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)C1(CCCC)CC1 ZINC001281958258 809227168 /nfs/dbraw/zinc/22/71/68/809227168.db2.gz ZMKFTCTVSIKPTI-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)C[C@@H](CC)C(C)C)C(C)(C)C1 ZINC001282833144 809264750 /nfs/dbraw/zinc/26/47/50/809264750.db2.gz NDQBYEYTCKRIBR-CVEARBPZSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)[C@]23C[C@H]2CCCC3)CC1 ZINC001283326141 809276399 /nfs/dbraw/zinc/27/63/99/809276399.db2.gz VBDOVEUZJRMNPC-CRAIPNDOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCCC(=O)N1CCC([N@@H+](C)CC(=C)Cl)CC1 ZINC001283324800 809277091 /nfs/dbraw/zinc/27/70/91/809277091.db2.gz FLYBYQJWIRTJFJ-UHFFFAOYSA-N 1 1 284.831 3.018 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C(=O)c1occc1C)C(C)C ZINC001284527400 809306436 /nfs/dbraw/zinc/30/64/36/809306436.db2.gz LKXJOYHUECEJRQ-UHFFFAOYSA-N 1 1 292.423 3.337 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)[C@@H]1CCC(C)=C(C)C1)C(C)C ZINC001284537296 809308621 /nfs/dbraw/zinc/30/86/21/809308621.db2.gz MOULXFVTKOCIDQ-QGZVFWFLSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)C[C@@H]1CC=CCC1)C(C)C ZINC001284544923 809310315 /nfs/dbraw/zinc/31/03/15/809310315.db2.gz LFRMQRZVNMGWRA-QGZVFWFLSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@](C)(F)CCCC)CC1 ZINC001284927973 809320484 /nfs/dbraw/zinc/32/04/84/809320484.db2.gz AKQNLCFPRJPZMC-QGZVFWFLSA-N 1 1 296.430 3.229 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)C2(C)CCC2)CC1 ZINC001284947095 809321112 /nfs/dbraw/zinc/32/11/12/809321112.db2.gz QHLYIPGGKAQWRV-HNNXBMFYSA-N 1 1 290.451 3.280 20 30 CGEDMO Cc1cc(C#N)cc(Cl)c1NC1=CCC[N@@H+](C)C1 ZINC001175575916 809458748 /nfs/dbraw/zinc/45/87/48/809458748.db2.gz DGGWCJOKQQKZGA-UHFFFAOYSA-N 1 1 261.756 3.151 20 30 CGEDMO Cc1cc(C#N)cc(Cl)c1NC1=CCC[N@H+](C)C1 ZINC001175575916 809458755 /nfs/dbraw/zinc/45/87/55/809458755.db2.gz DGGWCJOKQQKZGA-UHFFFAOYSA-N 1 1 261.756 3.151 20 30 CGEDMO C[N@H+]1CCC=C(Nc2cccc(C(C)(C)C#N)c2)C1 ZINC001175580198 809460520 /nfs/dbraw/zinc/46/05/20/809460520.db2.gz WCYRQWNLFNUWNC-UHFFFAOYSA-N 1 1 255.365 3.119 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2C[C@H](C)CC2(C)C)cc1 ZINC001175759664 809535209 /nfs/dbraw/zinc/53/52/09/809535209.db2.gz YRSCYWIEYRWDPS-CQSZACIVSA-N 1 1 284.403 3.117 20 30 CGEDMO N#Cc1cc(Nc2cccc(C[NH+]3CCOCC3)c2)cs1 ZINC001175858090 809560034 /nfs/dbraw/zinc/56/00/34/809560034.db2.gz QMGSUGYDBLUMEX-UHFFFAOYSA-N 1 1 299.399 3.196 20 30 CGEDMO C=C(CC(C)C)C(=O)N1CC[NH2+][C@H](c2ccccc2C)C1 ZINC001301954473 809589481 /nfs/dbraw/zinc/58/94/81/809589481.db2.gz GWOOXHLFFOHTRZ-KRWDZBQOSA-N 1 1 286.419 3.070 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC001176068899 809613825 /nfs/dbraw/zinc/61/38/25/809613825.db2.gz DHCJFTDQTWIPER-HNNXBMFYSA-N 1 1 299.414 3.487 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1ccc(Cl)cc1OC ZINC001176814704 809763886 /nfs/dbraw/zinc/76/38/86/809763886.db2.gz PLVZGSGPRAPDLD-CYBMUJFWSA-N 1 1 251.757 3.499 20 30 CGEDMO C#C[C@H]1CCCC[N@H+]1C[C@H]1CC2(CO1)CCCCC2 ZINC001176832825 809764361 /nfs/dbraw/zinc/76/43/61/809764361.db2.gz JXVSGXVVWBBVDV-JKSUJKDBSA-N 1 1 261.409 3.214 20 30 CGEDMO C=CCC[C@H]([NH2+][C@@H]1CCC[C@@H](C2CC2)C1)C(=O)OCC ZINC001181826926 810075077 /nfs/dbraw/zinc/07/50/77/810075077.db2.gz IEJUVJUKILIWBA-OAGGEKHMSA-N 1 1 279.424 3.443 20 30 CGEDMO N#Cc1c(F)cccc1C[N@@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001183801961 810162606 /nfs/dbraw/zinc/16/26/06/810162606.db2.gz UASYMFVBHJELDM-QFBILLFUSA-N 1 1 292.357 3.471 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC001183801961 810162609 /nfs/dbraw/zinc/16/26/09/810162609.db2.gz UASYMFVBHJELDM-QFBILLFUSA-N 1 1 292.357 3.471 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H]2CCN(C(=O)C3CCCCC3)[C@@H]2C1 ZINC001186676738 810356823 /nfs/dbraw/zinc/35/68/23/810356823.db2.gz RGLHVPBZYQTQJT-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)F)C1 ZINC001188619817 810494554 /nfs/dbraw/zinc/49/45/54/810494554.db2.gz XYZHBYKDOUPBJN-AWEZNQCLSA-N 1 1 286.435 3.238 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)c2cccc(C)c2)C1 ZINC001188711523 810506407 /nfs/dbraw/zinc/50/64/07/810506407.db2.gz ZKRRYRDIFUUKKZ-QGZVFWFLSA-N 1 1 286.419 3.108 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)C/C=C(\C)C=C)[C@@H]2C1 ZINC001188855680 810519516 /nfs/dbraw/zinc/51/95/16/810519516.db2.gz HCPVLRMSYSDAQV-UFWNIKGBSA-N 1 1 288.435 3.008 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)CSC(C)C)C1 ZINC001188965441 810528821 /nfs/dbraw/zinc/52/88/21/810528821.db2.gz GNHVTEGHTFXTLE-GJZGRUSLSA-N 1 1 298.496 3.015 20 30 CGEDMO C=CCCC(=O)N1CC[C@@H]([N@H+](C)C[C@H](C)CC(C)C)C1 ZINC001189318886 810557005 /nfs/dbraw/zinc/55/70/05/810557005.db2.gz RVOYRXNZTRLHFL-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)/C=C/C2CC2)C1 ZINC001189539284 810576427 /nfs/dbraw/zinc/57/64/27/810576427.db2.gz ZEHYFVVNIDQGNO-DVQDXYAYSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)c2c(C)coc2C)C1 ZINC001189944291 810596224 /nfs/dbraw/zinc/59/62/24/810596224.db2.gz PKHKMNYRZCSVEH-HNNXBMFYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)CC(C)(C)CC)C1 ZINC001190344075 810622082 /nfs/dbraw/zinc/62/20/82/810622082.db2.gz DIKYKOZVJBTYAG-ZDUSSCGKSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)CC(C)(C)CC)C1 ZINC001190344075 810622087 /nfs/dbraw/zinc/62/20/87/810622087.db2.gz DIKYKOZVJBTYAG-ZDUSSCGKSA-N 1 1 286.847 3.098 20 30 CGEDMO CC#CC[N@H+](C)[C@@H]1CCN(C(=O)CCCC[C@H](C)CC)C1 ZINC001190361623 810622993 /nfs/dbraw/zinc/62/29/93/810622993.db2.gz FWGPDASSPZQDMG-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO Cc1ccc(C[N@@H+](C[C@@H](O)c2cccc(C#N)c2)C2CC2)o1 ZINC001190374081 810623237 /nfs/dbraw/zinc/62/32/37/810623237.db2.gz GOCQAICBOIPMPC-GOSISDBHSA-N 1 1 296.370 3.158 20 30 CGEDMO C#CC[N@H+](C[C@@H](OC)C1CCC1)[C@H]1CCc2ccccc21 ZINC001190529583 810632564 /nfs/dbraw/zinc/63/25/64/810632564.db2.gz UCYYSEOMXKJSDX-RBUKOAKNSA-N 1 1 283.415 3.424 20 30 CGEDMO C#CC[N@H+](C/C=C(/C)COC)[C@@H]1CCc2ccccc21 ZINC001190530032 810632905 /nfs/dbraw/zinc/63/29/05/810632905.db2.gz YXERUTSWSIXZGK-VHUCWBOISA-N 1 1 269.388 3.202 20 30 CGEDMO CCCCCCCCNC(=O)N1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001191068502 810669748 /nfs/dbraw/zinc/66/97/48/810669748.db2.gz PKFADZOUKMJNDV-HOTGVXAUSA-N 1 1 295.471 3.083 20 30 CGEDMO CCCCCCCNC(=O)NCCC[N@@H+](C)CCCC ZINC001191113251 810677132 /nfs/dbraw/zinc/67/71/32/810677132.db2.gz URYAJBXHNWNXPA-UHFFFAOYSA-N 1 1 285.476 3.378 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001191302035 810699608 /nfs/dbraw/zinc/69/96/08/810699608.db2.gz DJBKUPMPLVBMLX-ARFHVFGLSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)C2CCC3(CC3)CC2)C1 ZINC001191383629 810708652 /nfs/dbraw/zinc/70/86/52/810708652.db2.gz WCGQADOTUCANJB-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]([N@@H+](C)CCC(C)(C)C)C1 ZINC001191721573 810732742 /nfs/dbraw/zinc/73/27/42/810732742.db2.gz YIRJPOBYJOPQGQ-AWEZNQCLSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC2(C)C)C1 ZINC001191791023 810742463 /nfs/dbraw/zinc/74/24/63/810742463.db2.gz RKYOHXZWQSDSHE-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C2(CC)CCC2)C1 ZINC001191819931 810745749 /nfs/dbraw/zinc/74/57/49/810745749.db2.gz VEFGKCAGEQQRPG-HZPDHXFCSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[C@@H]([N@@H+](C)CC2CCCC2)C1 ZINC001191889396 810754260 /nfs/dbraw/zinc/75/42/60/810754260.db2.gz GESZZKCDUCMGCL-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCC(=O)N1CC[C@@H]([N@H+](C)CCCC(C)C)C1 ZINC001192092574 810768598 /nfs/dbraw/zinc/76/85/98/810768598.db2.gz AAJKFKBFGWACEY-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C1CCC(C(=O)N2CC[C@@H]([N@H+](C)CCC(C)C)C2)CC1 ZINC001192180097 810772281 /nfs/dbraw/zinc/77/22/81/810772281.db2.gz DXDLNAGWAPMCHU-QGZVFWFLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C2(CC=C)CCC2)C1 ZINC001192227708 810778191 /nfs/dbraw/zinc/77/81/91/810778191.db2.gz TUPXPCHJADVRAS-MRXNPFEDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C2(CCC)CC2)C1 ZINC001192256680 810781550 /nfs/dbraw/zinc/78/15/50/810781550.db2.gz JACMKYOIKFUVIS-JKSUJKDBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)C2(CC(C)C)CCCC2)C1 ZINC001192887103 810827074 /nfs/dbraw/zinc/82/70/74/810827074.db2.gz AKJVHFIBFGKBEI-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)C[C@@H](CC)C(C)C)C1 ZINC001193560027 810908012 /nfs/dbraw/zinc/90/80/12/810908012.db2.gz NYJFNTXBRVFJFH-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO CC[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)[C@H]1C ZINC001193606049 810918970 /nfs/dbraw/zinc/91/89/70/810918970.db2.gz MTGVRJZBENVSMX-DZGCQCFKSA-N 1 1 285.391 3.007 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)c2ccccc2Cl)C1 ZINC001193621203 810921033 /nfs/dbraw/zinc/92/10/33/810921033.db2.gz DNWAFZAHUTUQOE-ZDUSSCGKSA-N 1 1 292.810 3.062 20 30 CGEDMO CCCCCCCOC(=O)N1CCn2c(C)[nH+]cc2C1 ZINC001193995110 810997773 /nfs/dbraw/zinc/99/77/73/810997773.db2.gz HYWFROUOKXBEAW-UHFFFAOYSA-N 1 1 279.384 3.114 20 30 CGEDMO CCCCCCCOC(=O)N[C@H]1CCC[N@@H+](C)CC1 ZINC001194013419 811002215 /nfs/dbraw/zinc/00/22/15/811002215.db2.gz XLXZQXHXZJJGJD-AWEZNQCLSA-N 1 1 270.417 3.167 20 30 CGEDMO CCCCCCCOC(=O)N[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC001194020460 811003728 /nfs/dbraw/zinc/00/37/28/811003728.db2.gz YXPQUXPHGVPEPR-UONOGXRCSA-N 1 1 270.417 3.023 20 30 CGEDMO CCCCCCCOC(=O)N[C@H]1CC[N@H+](C2CCC2)C1 ZINC001194019602 811003798 /nfs/dbraw/zinc/00/37/98/811003798.db2.gz OJKBQDFWCZSVNR-AWEZNQCLSA-N 1 1 282.428 3.310 20 30 CGEDMO C=CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)CC=C)C1)c1ccccc1 ZINC001194174866 811027834 /nfs/dbraw/zinc/02/78/34/811027834.db2.gz ZGXXUKPKBSHJQU-ROUUACIJSA-N 1 1 298.430 3.065 20 30 CGEDMO CCCCCCCCOC(=O)N(C)[C@@H]1CC[N@@H+](C)C1 ZINC001194740394 811121061 /nfs/dbraw/zinc/12/10/61/811121061.db2.gz JTLPIVSAZPOURJ-CQSZACIVSA-N 1 1 270.417 3.119 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)c2ccc(Cl)o2)CC1 ZINC001194843600 811152882 /nfs/dbraw/zinc/15/28/82/811152882.db2.gz LVIBGYNJPPKAFA-UHFFFAOYSA-N 1 1 296.798 3.047 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)CSCCC)CC1 ZINC001195062929 811192995 /nfs/dbraw/zinc/19/29/95/811192995.db2.gz GILQAYQENSQRPC-OAHLLOKOSA-N 1 1 298.496 3.019 20 30 CGEDMO C/C=C(/C)C(=O)N1CCC[N@H+](CCCCCCC)CC1 ZINC001195460289 811256313 /nfs/dbraw/zinc/25/63/13/811256313.db2.gz VOMCNGYYXLYVDS-BNCCVWRVSA-N 1 1 280.456 3.457 20 30 CGEDMO C#CCCCC(=O)N1CCC[N@H+]([C@H](C)c2ccccc2)CC1 ZINC001195644881 811274497 /nfs/dbraw/zinc/27/44/97/811274497.db2.gz BQYAUOADSFUCCQ-QGZVFWFLSA-N 1 1 298.430 3.085 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)C[C@@H]2CCC[C@H]2C)CC1 ZINC001195915271 811301962 /nfs/dbraw/zinc/30/19/62/811301962.db2.gz NZTKFMFPLFNEGP-SJORKVTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(F)c2)C1 ZINC001195947791 811303952 /nfs/dbraw/zinc/30/39/52/811303952.db2.gz XVKFCZYFABHAEQ-AWEZNQCLSA-N 1 1 290.382 3.442 20 30 CGEDMO C=CC[N@H+](CCSCc1ccccc1)[C@H](C)COC ZINC001196047730 811313674 /nfs/dbraw/zinc/31/36/74/811313674.db2.gz CPCCCQYZHZVYCK-OAHLLOKOSA-N 1 1 279.449 3.443 20 30 CGEDMO N#Cc1ccccc1OCC[N@H+]1CCC[C@H](C2CCC2)C1 ZINC001196255648 811328383 /nfs/dbraw/zinc/32/83/83/811328383.db2.gz XHOIWIVEZQUFTD-KRWDZBQOSA-N 1 1 284.403 3.449 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCN(C(=O)[C@@H](F)CC)CC1 ZINC001196763379 811364180 /nfs/dbraw/zinc/36/41/80/811364180.db2.gz YHJLRLPUAKGQNA-HNNXBMFYSA-N 1 1 284.419 3.015 20 30 CGEDMO CCCCCCC[N@H+]1CCCN(C(=O)CCCF)CC1 ZINC001196815879 811371424 /nfs/dbraw/zinc/37/14/24/811371424.db2.gz WXBSHNXOBFNJRF-UHFFFAOYSA-N 1 1 286.435 3.241 20 30 CGEDMO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC[N@H+](CCCCC)CC1 ZINC001196829000 811373519 /nfs/dbraw/zinc/37/35/19/811373519.db2.gz BPMVWMVIUBQCPV-HZPDHXFCSA-N 1 1 280.456 3.169 20 30 CGEDMO CC#CCCCC(=O)N1CCC[N@H+](CCCCCC)CC1 ZINC001196838766 811373641 /nfs/dbraw/zinc/37/36/41/811373641.db2.gz KKRZADIHIYRFAD-UHFFFAOYSA-N 1 1 292.467 3.295 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)C2(CCC)CCC2)CC1 ZINC001196852810 811374657 /nfs/dbraw/zinc/37/46/57/811374657.db2.gz DOJQNMAYFQJQRD-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@@](C)(C=C)CC)CC1 ZINC001197038680 811390998 /nfs/dbraw/zinc/39/09/98/811390998.db2.gz YVXCAUHLHIRXKN-KRWDZBQOSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCC1(C(=O)N2CCC[N@H+](CCCC)CC2)CCC1 ZINC001197077903 811395768 /nfs/dbraw/zinc/39/57/68/811395768.db2.gz ZPOCKPCJBADSPU-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCC1(C(=O)N2CCC[N@@H+](C[C@H](F)CC)CC2)CCC1 ZINC001197077551 811397294 /nfs/dbraw/zinc/39/72/94/811397294.db2.gz URTLDUNIEYVEFS-OAHLLOKOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC1(C(=O)N2CCC[N@H+](C[C@H](F)CC)CC2)CCC1 ZINC001197077551 811397300 /nfs/dbraw/zinc/39/73/00/811397300.db2.gz URTLDUNIEYVEFS-OAHLLOKOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@H]2CC[C@H](C)CC2)CC1 ZINC001197879243 811460681 /nfs/dbraw/zinc/46/06/81/811460681.db2.gz GVQLPGVLRQJRRL-QAQDUYKDSA-N 1 1 292.467 3.313 20 30 CGEDMO C#C[C@@H]1CCCC[N@@H+]1C[C@@H](O)Cc1ccc2ccccc2c1 ZINC001198526843 811511282 /nfs/dbraw/zinc/51/12/82/811511282.db2.gz VOBIMSSWKFEQHJ-UXHICEINSA-N 1 1 293.410 3.231 20 30 CGEDMO CCCCCCCCCCNC(=S)N[C@H]1CC[N@@H+](C)C1 ZINC001200217782 811646005 /nfs/dbraw/zinc/64/60/05/811646005.db2.gz VIBFLZNNZVIVII-HNNXBMFYSA-N 1 1 299.528 3.295 20 30 CGEDMO COc1ccc(Nc2c(C)cc[nH+]c2C)cc1C#N ZINC001214995879 815473886 /nfs/dbraw/zinc/47/38/86/815473886.db2.gz SFBSKOYGZHKEDE-UHFFFAOYSA-N 1 1 253.305 3.322 20 30 CGEDMO N#Cc1ccc2c(c1)CC[N@H+](C[C@@H]1CC=CCC1)C2 ZINC001201408084 811833675 /nfs/dbraw/zinc/83/36/75/811833675.db2.gz BHQNPVVEMSVUCD-CQSZACIVSA-N 1 1 252.361 3.273 20 30 CGEDMO CC(C)(C)C[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001201447022 811852168 /nfs/dbraw/zinc/85/21/68/811852168.db2.gz LOJMQBPGISBARX-MRXNPFEDSA-N 1 1 272.392 3.448 20 30 CGEDMO C=CCN1C(=O)CCC[C@@]12CCC[N@H+](C[C@H](C)CC)C2 ZINC001201501703 811871370 /nfs/dbraw/zinc/87/13/70/811871370.db2.gz LJGJPIURKLXFOE-WBVHZDCISA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCN1C(=O)CCC[C@@]12CCC[N@H+](C[C@H](C)CCC)C2 ZINC001201543958 811895358 /nfs/dbraw/zinc/89/53/58/811895358.db2.gz UKEILBPRGNPTQH-AEFFLSMTSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](C[C@H](C)CCC)CCO2 ZINC001201550754 811898629 /nfs/dbraw/zinc/89/86/29/811898629.db2.gz MGHQGPCOYNMAHM-KZNAEPCWSA-N 1 1 295.467 3.496 20 30 CGEDMO CCCCCCCCCCC[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC001201631005 811926382 /nfs/dbraw/zinc/92/63/82/811926382.db2.gz KRVSXYSFTZQUKU-DLBZAZTESA-N 1 1 285.472 3.192 20 30 CGEDMO CCCCCCC[N@H+]1CCCC[C@H]1C(=O)N1CCCC1 ZINC001201788056 811964717 /nfs/dbraw/zinc/96/47/17/811964717.db2.gz VCEDKYTVGNPNJB-INIZCTEOSA-N 1 1 280.456 3.434 20 30 CGEDMO CCCCCCCC[N@H+]1CCC(O)=C(C(=O)OCC)CC1 ZINC001201826171 811967742 /nfs/dbraw/zinc/96/77/42/811967742.db2.gz OXTQRTRDIBULDD-OAHLLOKOSA-N 1 1 297.439 3.191 20 30 CGEDMO CCCCCCCCCC[N@H+]1CC[C@](C)(CO)[C@@H](O)C1 ZINC001201852843 811973138 /nfs/dbraw/zinc/97/31/38/811973138.db2.gz OLHSFHOTPPMHCY-DLBZAZTESA-N 1 1 285.472 3.192 20 30 CGEDMO CCCCCCCCCC[N@@H+](C)CC(=O)N(C)C ZINC001201874691 811973834 /nfs/dbraw/zinc/97/38/34/811973834.db2.gz CQPDHEWWBBYRKE-UHFFFAOYSA-N 1 1 256.434 3.147 20 30 CGEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](CCC(C)(C)C)CCO2 ZINC001202078052 812011259 /nfs/dbraw/zinc/01/12/59/812011259.db2.gz NSRYIFSIDZZNFQ-FUHWJXTLSA-N 1 1 295.467 3.496 20 30 CGEDMO C[N@@H+](CCCC(=O)c1cccnc1)Cc1cccc(C#N)c1 ZINC001203762395 812458628 /nfs/dbraw/zinc/45/86/28/812458628.db2.gz GDFCPWQERMMRFB-UHFFFAOYSA-N 1 1 293.370 3.048 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@@H](C#N)CC2)cc1C ZINC001203899553 812485932 /nfs/dbraw/zinc/48/59/32/812485932.db2.gz MWKZIWQUNJOFSO-CQSZACIVSA-N 1 1 258.365 3.129 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@](CF)(C(F)(F)F)C2)cc1 ZINC001203900206 812486343 /nfs/dbraw/zinc/48/63/43/812486343.db2.gz UGMBNGLLBQIENJ-CYBMUJFWSA-N 1 1 286.272 3.282 20 30 CGEDMO C[C@H]1CN(Cc2ccc(C#N)cc2)CC[N@H+]1C1CCCCC1 ZINC001203906936 812488093 /nfs/dbraw/zinc/48/80/93/812488093.db2.gz GPPXLDLVIATJSM-INIZCTEOSA-N 1 1 297.446 3.397 20 30 CGEDMO CCOc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1 ZINC001203968589 812504265 /nfs/dbraw/zinc/50/42/65/812504265.db2.gz KPRMLJTZGXZYMU-PHZGNYQRSA-N 1 1 270.376 3.352 20 30 CGEDMO C=CC[N@H+](Cc1cc(OC)c(O)c(OC)c1)C(C)(C)C ZINC001204126063 812552712 /nfs/dbraw/zinc/55/27/12/812552712.db2.gz HJTXTMJTFPPKHF-UHFFFAOYSA-N 1 1 279.380 3.196 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@]3(CCCO3)C2)cc1 ZINC001204297199 812603473 /nfs/dbraw/zinc/60/34/73/812603473.db2.gz GNPVMDIHYGANLF-QGZVFWFLSA-N 1 1 273.376 3.006 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@@]3(CCCO3)C2)cc1 ZINC001204297198 812603689 /nfs/dbraw/zinc/60/36/89/812603689.db2.gz GNPVMDIHYGANLF-KRWDZBQOSA-N 1 1 273.376 3.006 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)cc1 ZINC001204297667 812604831 /nfs/dbraw/zinc/60/48/31/812604831.db2.gz MULJUUUSVXEDDW-HIFRSBDPSA-N 1 1 279.330 3.338 20 30 CGEDMO C=CCOc1ccc(CN2CC[N@H+](C(C)C)[C@@H](C)C2)cc1 ZINC001204302117 812604843 /nfs/dbraw/zinc/60/48/43/812604843.db2.gz CGGNMULDKLNRHU-INIZCTEOSA-N 1 1 288.435 3.166 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)cc1 ZINC001204304337 812606417 /nfs/dbraw/zinc/60/64/17/812606417.db2.gz DZNPRBWLIFUVIL-NVXWUHKLSA-N 1 1 285.387 3.052 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1c2c(nn1C)CCCC2 ZINC001204767736 812729943 /nfs/dbraw/zinc/72/99/43/812729943.db2.gz CRRWVNJRXCPYRG-UHFFFAOYSA-N 1 1 275.440 3.477 20 30 CGEDMO CC[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2N(C)C)[C@H]1C ZINC001205472205 812990326 /nfs/dbraw/zinc/99/03/26/812990326.db2.gz XSQWYZNXSZLHED-DZGCQCFKSA-N 1 1 271.408 3.245 20 30 CGEDMO C[N@H+](Cc1ccc(F)c(C#N)c1)C[C@H]1Cc2ccccc2O1 ZINC001205514165 812993152 /nfs/dbraw/zinc/99/31/52/812993152.db2.gz XVSXAGLLDZVHEP-MRXNPFEDSA-N 1 1 296.345 3.133 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2)C1 ZINC001205748947 813068320 /nfs/dbraw/zinc/06/83/20/813068320.db2.gz CTODKMZKNAUXSC-BFYDXBDKSA-N 1 1 286.419 3.091 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccs2)C1 ZINC001205801704 813082878 /nfs/dbraw/zinc/08/28/78/813082878.db2.gz YXQGUCSUGLYOQM-HZSPNIEDSA-N 1 1 292.448 3.153 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[N@H+](CCC2CCCCC2)C[C@H]1C ZINC001206537539 813342384 /nfs/dbraw/zinc/34/23/84/813342384.db2.gz YDNGXQRNECRULS-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCCCCC[N@@H+](C)Cc1cccnc1OC ZINC001206576979 813358896 /nfs/dbraw/zinc/35/88/96/813358896.db2.gz SBBIKDJTXFLCQG-UHFFFAOYSA-N 1 1 250.386 3.492 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2ccnc(OC)c2F)C1 ZINC001206597258 813368527 /nfs/dbraw/zinc/36/85/27/813368527.db2.gz FSFMWHCRQWQULM-LBPRGKRZSA-N 1 1 264.344 3.017 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1Nc1c(C#N)cnn1C(C)(C)C ZINC001206714734 813405393 /nfs/dbraw/zinc/40/53/93/813405393.db2.gz PRMSZLIMRLRTAY-UHFFFAOYSA-N 1 1 298.394 3.023 20 30 CGEDMO Cc1ccc(Nc2c[nH+]c(N(C)C)cc2C)c(C#N)c1 ZINC001206735996 813413058 /nfs/dbraw/zinc/41/30/58/813413058.db2.gz AENXYZDDZRUGQP-UHFFFAOYSA-N 1 1 266.348 3.380 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1Nc1csc(C#N)c1 ZINC001206737591 813413996 /nfs/dbraw/zinc/41/39/96/813413996.db2.gz QQXCLPAPQDWKQD-UHFFFAOYSA-N 1 1 258.350 3.133 20 30 CGEDMO Cc1cc(C#N)cc(Nc2c[nH+]c(N(C)C)cc2C)c1 ZINC001206754305 813422622 /nfs/dbraw/zinc/42/26/22/813422622.db2.gz FPYOHRYWEVDOFK-UHFFFAOYSA-N 1 1 266.348 3.380 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](C[C@H](C)CC)C[C@H]1C ZINC001207107192 813486771 /nfs/dbraw/zinc/48/67/71/813486771.db2.gz AYJMZXGZXSLNGY-BFYDXBDKSA-N 1 1 292.467 3.237 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[C@@H](C)CCC)C1 ZINC001207127169 813492326 /nfs/dbraw/zinc/49/23/26/813492326.db2.gz PYPSGFMJKXOSDS-ARFHVFGLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C(=C)Cl)C1 ZINC001207146104 813498219 /nfs/dbraw/zinc/49/82/19/813498219.db2.gz TVTLZZVVQHLEJO-TZMCWYRMSA-N 1 1 298.858 3.168 20 30 CGEDMO C=C(C)C[C@@H]([NH2+]C1CCCCCC1)C(=O)OCC ZINC001207333945 813543310 /nfs/dbraw/zinc/54/33/10/813543310.db2.gz LPYCGAIKAJXYGU-CQSZACIVSA-N 1 1 253.386 3.197 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](CC)CCCC)C1 ZINC001208036765 813686890 /nfs/dbraw/zinc/68/68/90/813686890.db2.gz YRLJTUGGQYBECQ-OWCLPIDISA-N 1 1 280.456 3.215 20 30 CGEDMO CCCCCCC/C=C/C[N@@H+]1CCN(C(C)=O)C[C@@H]1C ZINC001208118504 813696298 /nfs/dbraw/zinc/69/62/98/813696298.db2.gz JTFNXLZRYSFSHD-OFAQMXQXSA-N 1 1 280.456 3.456 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CCN(C(C)=O)C[C@@H]1C ZINC001208118504 813696300 /nfs/dbraw/zinc/69/63/00/813696300.db2.gz JTFNXLZRYSFSHD-OFAQMXQXSA-N 1 1 280.456 3.456 20 30 CGEDMO CCCCCCC/C=C/C[N@@H+]1CCO[C@H](COC)C1 ZINC001208124392 813697857 /nfs/dbraw/zinc/69/78/57/813697857.db2.gz OZLCNSFKEYNTMB-SCOAYWHSSA-N 1 1 269.429 3.250 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CCO[C@H](COC)C1 ZINC001208124392 813697861 /nfs/dbraw/zinc/69/78/61/813697861.db2.gz OZLCNSFKEYNTMB-SCOAYWHSSA-N 1 1 269.429 3.250 20 30 CGEDMO CCCCCCC/C=C/CN1CC[N@H+]2CC[C@@H]2C1 ZINC001208123219 813698520 /nfs/dbraw/zinc/69/85/20/813698520.db2.gz GTFFAGGOKCEJLF-ROJDOSBLSA-N 1 1 250.430 3.293 20 30 CGEDMO CCCCCCC/C=C/C[N@@H+]1CCN2CC[C@@H]2C1 ZINC001208123219 813698525 /nfs/dbraw/zinc/69/85/25/813698525.db2.gz GTFFAGGOKCEJLF-ROJDOSBLSA-N 1 1 250.430 3.293 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CCN2CC[C@@H]2C1 ZINC001208123219 813698529 /nfs/dbraw/zinc/69/85/29/813698529.db2.gz GTFFAGGOKCEJLF-ROJDOSBLSA-N 1 1 250.430 3.293 20 30 CGEDMO CS[C@@H](C)CC[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001208137683 813704862 /nfs/dbraw/zinc/70/48/62/813704862.db2.gz GMYSRRIMJLTAGA-LBPRGKRZSA-N 1 1 260.406 3.058 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@](O)(C(F)(F)F)C2)CC1 ZINC001208170965 813723675 /nfs/dbraw/zinc/72/36/75/813723675.db2.gz OKJJONGKKGYAFT-KGLIPLIRSA-N 1 1 289.341 3.288 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@]3(CCOC3)C2)CC1 ZINC001208171410 813725774 /nfs/dbraw/zinc/72/57/74/813725774.db2.gz SCYHJTPMFBTGNR-SJORKVTESA-N 1 1 261.409 3.401 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+](C)[C@H]2CCCN(C(C)=O)C2)CC1 ZINC001208177826 813728631 /nfs/dbraw/zinc/72/86/31/813728631.db2.gz GRRRGNLNTHCTOQ-MSOLQXFVSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@H](Oc3cnccn3)C2)CC1 ZINC001208179420 813731110 /nfs/dbraw/zinc/73/11/10/813731110.db2.gz YYTNELLLSVVEDD-SJORKVTESA-N 1 1 299.418 3.232 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](C)CC(C)C)C[C@H]1C ZINC001208313315 813753820 /nfs/dbraw/zinc/75/38/20/813753820.db2.gz ZXGVDFGVVPWVGP-BZUAXINKSA-N 1 1 294.483 3.317 20 30 CGEDMO CC#CCCCC(=O)N[C@@H]1C[N@@H+](CC(CC)CC)C[C@H]1C ZINC001208374677 813757864 /nfs/dbraw/zinc/75/78/64/813757864.db2.gz SEJZEFBUDCYCHF-NVXWUHKLSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1C ZINC001208388951 813758120 /nfs/dbraw/zinc/75/81/20/813758120.db2.gz UGCZZBSGWMOHRE-ZMSDIMECSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](CCCCC)C[C@H]1C ZINC001208396046 813759721 /nfs/dbraw/zinc/75/97/21/813759721.db2.gz MIWWKSLLJJSKHR-BZUAXINKSA-N 1 1 280.456 3.215 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@H+](CCC1CCCC1)CC2 ZINC001208690459 813798408 /nfs/dbraw/zinc/79/84/08/813798408.db2.gz LWUGNEKKNHROEP-UHFFFAOYSA-N 1 1 254.377 3.497 20 30 CGEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+](CC/C=C\CC)C2 ZINC001208729047 813817468 /nfs/dbraw/zinc/81/74/68/813817468.db2.gz ZIGCFDATEXVHAK-JOGGYFKDSA-N 1 1 279.424 3.169 20 30 CGEDMO C=CCOC[C@]12CCCO[C@H]1CC[N@H+](CCCC(C)C)C2 ZINC001208734030 813823759 /nfs/dbraw/zinc/82/37/59/813823759.db2.gz YVYCEFRVGWLGTL-ZWKOTPCHSA-N 1 1 295.467 3.496 20 30 CGEDMO CCCC[N@H+](CCC#N)CCc1cccnc1OC(C)C ZINC001208796537 813849102 /nfs/dbraw/zinc/84/91/02/813849102.db2.gz UUXVBKGCJOCVBX-UHFFFAOYSA-N 1 1 289.423 3.427 20 30 CGEDMO CCCC[N@@H+](CCC#N)CCc1cccnc1OC(C)C ZINC001208796537 813849112 /nfs/dbraw/zinc/84/91/12/813849112.db2.gz UUXVBKGCJOCVBX-UHFFFAOYSA-N 1 1 289.423 3.427 20 30 CGEDMO N#Cc1cccc(CCC[N@@H+]2CCC(F)(F)[C@@H](F)C2)c1 ZINC001208844180 813864109 /nfs/dbraw/zinc/86/41/09/813864109.db2.gz FVIUNKCXDPMRGN-AWEZNQCLSA-N 1 1 282.309 3.170 20 30 CGEDMO N#Cc1cccc(CCC[N@H+]2CCC(F)(F)[C@@H](F)C2)c1 ZINC001208844180 813864118 /nfs/dbraw/zinc/86/41/18/813864118.db2.gz FVIUNKCXDPMRGN-AWEZNQCLSA-N 1 1 282.309 3.170 20 30 CGEDMO CCC[N@@H+](CCCc1cccc(C#N)c1)CCCN(C)C ZINC001208854814 813866292 /nfs/dbraw/zinc/86/62/92/813866292.db2.gz VNRRBVQJCYUPDT-UHFFFAOYSA-N 1 1 287.451 3.155 20 30 CGEDMO CCC[N@H+](CCCc1cccc(C#N)c1)CCCN(C)C ZINC001208854814 813866296 /nfs/dbraw/zinc/86/62/96/813866296.db2.gz VNRRBVQJCYUPDT-UHFFFAOYSA-N 1 1 287.451 3.155 20 30 CGEDMO Cc1cc2c(cn1)C[N@H+](CCCc1cccc(C#N)c1)C2 ZINC001208851595 813866620 /nfs/dbraw/zinc/86/66/20/813866620.db2.gz ZWLHARADMXAQJL-UHFFFAOYSA-N 1 1 277.371 3.210 20 30 CGEDMO Cc1cc2c(cn1)C[N@@H+](CCCc1cccc(C#N)c1)C2 ZINC001208851595 813866631 /nfs/dbraw/zinc/86/66/31/813866631.db2.gz ZWLHARADMXAQJL-UHFFFAOYSA-N 1 1 277.371 3.210 20 30 CGEDMO CC1(C)[C@@H]2C[N@H+](CCCc3cccc(C#N)c3)C[C@@H]21 ZINC001208853110 813866988 /nfs/dbraw/zinc/86/69/88/813866988.db2.gz DBYAQYYHVPYRDK-IYBDPMFKSA-N 1 1 254.377 3.079 20 30 CGEDMO CCCCN1CCC([N@H+](C)CCc2ccc(C#N)cc2)CC1 ZINC001208928466 813901036 /nfs/dbraw/zinc/90/10/36/813901036.db2.gz JARSHQSGYCDENP-UHFFFAOYSA-N 1 1 299.462 3.297 20 30 CGEDMO CCCCN1CCC([N@@H+](C)CCc2ccc(C#N)cc2)CC1 ZINC001208928466 813901040 /nfs/dbraw/zinc/90/10/40/813901040.db2.gz JARSHQSGYCDENP-UHFFFAOYSA-N 1 1 299.462 3.297 20 30 CGEDMO CCCC[NH+]1CCC(N(C)CCc2ccc(C#N)cc2)CC1 ZINC001208928466 813901044 /nfs/dbraw/zinc/90/10/44/813901044.db2.gz JARSHQSGYCDENP-UHFFFAOYSA-N 1 1 299.462 3.297 20 30 CGEDMO C[N@@H+](CCC(=O)c1cccs1)CCc1ccc(C#N)cc1 ZINC001208929161 813903508 /nfs/dbraw/zinc/90/35/08/813903508.db2.gz NAWQOELOPQAXDH-UHFFFAOYSA-N 1 1 298.411 3.367 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@H](C)CC)C[C@H]1C ZINC001208953839 813911356 /nfs/dbraw/zinc/91/13/56/813911356.db2.gz AFFFWMWWUKZWML-RBSFLKMASA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCCCC[N@H+](C)C[C@H]1CCN1C(=O)OC(C)(C)C ZINC001209001797 813914166 /nfs/dbraw/zinc/91/41/66/813914166.db2.gz DZUVJDPSILDCSW-CQSZACIVSA-N 1 1 282.428 3.284 20 30 CGEDMO C=CCCC[N@@H+](CC(=O)OCC)Cc1ccc(OC)cc1 ZINC001209160274 813951935 /nfs/dbraw/zinc/95/19/35/813951935.db2.gz MPHYDBAFYIKPNF-UHFFFAOYSA-N 1 1 291.391 3.027 20 30 CGEDMO C=CCCC[N@H+](CC(=O)OCC)Cc1ccc(OC)cc1 ZINC001209160274 813951939 /nfs/dbraw/zinc/95/19/39/813951939.db2.gz MPHYDBAFYIKPNF-UHFFFAOYSA-N 1 1 291.391 3.027 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H]2C[C@H](C1)c1cc3nccnc3cc12 ZINC001209161731 813953415 /nfs/dbraw/zinc/95/34/15/813953415.db2.gz CLPHHKHYTMOYAD-OKILXGFUSA-N 1 1 279.387 3.483 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC001209163428 813954019 /nfs/dbraw/zinc/95/40/19/813954019.db2.gz DWAVDQZAWFGZIN-KBPBESRZSA-N 1 1 282.428 3.330 20 30 CGEDMO C=CCCC[N@@H+]1CCn2c(COCC3CC3)cnc2[C@@H]1C ZINC001209161922 813954072 /nfs/dbraw/zinc/95/40/72/813954072.db2.gz PCSMBQZZRQOMNN-AWEZNQCLSA-N 1 1 289.423 3.153 20 30 CGEDMO C=CCCC[N@H+]1CCn2c(COCC3CC3)cnc2[C@@H]1C ZINC001209161922 813954077 /nfs/dbraw/zinc/95/40/77/813954077.db2.gz PCSMBQZZRQOMNN-AWEZNQCLSA-N 1 1 289.423 3.153 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2NC(=O)OC(C)(C)C ZINC001209161866 813954172 /nfs/dbraw/zinc/95/41/72/813954172.db2.gz FWSZXYYHAKOSQS-QDMKHBRRSA-N 1 1 294.439 3.188 20 30 CGEDMO C=CCCCC[N@@H+]1CCCC[C@](C)(C(=O)OCC)C1 ZINC001209201941 813965044 /nfs/dbraw/zinc/96/50/44/813965044.db2.gz ZSZRMHMLUZTRNU-INIZCTEOSA-N 1 1 267.413 3.398 20 30 CGEDMO C=CCCCC[N@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC001209204044 813967161 /nfs/dbraw/zinc/96/71/61/813967161.db2.gz YAKGSRSFXGXRMK-UHFFFAOYSA-N 1 1 271.408 3.111 20 30 CGEDMO C=CCCCC[N@@H+]1C[C@H](C(=O)OC)[C@H](c2ccccc2)C1 ZINC001209207771 813968495 /nfs/dbraw/zinc/96/84/95/813968495.db2.gz FYFJBMVJISPYOT-IRXDYDNUSA-N 1 1 287.403 3.231 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](CCc2cc(F)c(F)cc2F)CC1 ZINC001209252244 813982406 /nfs/dbraw/zinc/98/24/06/813982406.db2.gz JKVSJWWJUADPLY-LLVKDONJSA-N 1 1 282.309 3.272 20 30 CGEDMO C#CCCC[N@@H+](Cc1ccccc1)C1CCOCC1 ZINC001209265788 813987016 /nfs/dbraw/zinc/98/70/16/813987016.db2.gz BHOASTTWNXOZMQ-UHFFFAOYSA-N 1 1 257.377 3.081 20 30 CGEDMO CCCCCCCC[N@@H+](C)CCCC1OCCO1 ZINC001209306278 813996749 /nfs/dbraw/zinc/99/67/49/813996749.db2.gz OBOREPZVSWZFNF-UHFFFAOYSA-N 1 1 257.418 3.432 20 30 CGEDMO CCCC[N@@H+](CCC#N)CC1Cc2ccccc2C1 ZINC001209320852 813998620 /nfs/dbraw/zinc/99/86/20/813998620.db2.gz NXRZZZNTVSWLDG-UHFFFAOYSA-N 1 1 256.393 3.417 20 30 CGEDMO CCOC(=O)CCCCCC[N@H+]1CCC[C@@H](C#N)CC1 ZINC001209352450 814003428 /nfs/dbraw/zinc/00/34/28/814003428.db2.gz QWMAEBSUXVRUNH-OAHLLOKOSA-N 1 1 280.412 3.126 20 30 CGEDMO C[C@@H]1C[C@@H](C[N@@H+](CCC#N)C2CCCC2)C[C@H](C)O1 ZINC001209386537 814009256 /nfs/dbraw/zinc/00/92/56/814009256.db2.gz DPFBOIAIPGCQMJ-QDMKHBRRSA-N 1 1 264.413 3.348 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@H]2CN(c3ccccc3)C(=O)[C@H]2C1 ZINC001209424099 814026254 /nfs/dbraw/zinc/02/62/54/814026254.db2.gz KGUAMQZPGUHSMK-WMZOPIPTSA-N 1 1 298.430 3.328 20 30 CGEDMO C=CCCCCC[N@H+]1CCO[C@H]2[C@H](OCC3CC3)CC[C@@H]21 ZINC001209424132 814026694 /nfs/dbraw/zinc/02/66/94/814026694.db2.gz LMSLVELFVPNVPQ-RCCFBDPRSA-N 1 1 293.451 3.391 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H]2OCCC[C@]2(COC)C1 ZINC001209425065 814026968 /nfs/dbraw/zinc/02/69/68/814026968.db2.gz YYXLLIVZKHANHX-IAGOWNOFSA-N 1 1 281.440 3.250 20 30 CGEDMO C=CCCCCCC[N@@H+]1CCC[C@H](C(=O)OC)[C@H]1C ZINC001209435423 814035025 /nfs/dbraw/zinc/03/50/25/814035025.db2.gz CRWKPYJXZFHYAN-CABCVRRESA-N 1 1 267.413 3.396 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CCCN(C(C)=O)CC1 ZINC001209438086 814036479 /nfs/dbraw/zinc/03/64/79/814036479.db2.gz FEQSJWADIUGTPA-UHFFFAOYSA-N 1 1 266.429 3.067 20 30 CGEDMO C=CCCCCCC[N@@H+]1Cc2ccnn2C[C@H](COC)C1 ZINC001209437830 814036833 /nfs/dbraw/zinc/03/68/33/814036833.db2.gz VZDGIMGKPAMQNQ-MRXNPFEDSA-N 1 1 291.439 3.098 20 30 CGEDMO C=CCCCCCC[N@@H+]1CC[C@](C)(C(=O)OC)C1 ZINC001209438970 814038081 /nfs/dbraw/zinc/03/80/81/814038081.db2.gz ZRUSBTQGCLKGII-HNNXBMFYSA-N 1 1 253.386 3.008 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CCC[C@@H](NC(C)=O)C1 ZINC001209439667 814038542 /nfs/dbraw/zinc/03/85/42/814038542.db2.gz VHIWFRDSKMWRNL-MRXNPFEDSA-N 1 1 266.429 3.114 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CC[C@H]2[C@@H](CCC(=O)N2C)C1 ZINC001209443333 814044394 /nfs/dbraw/zinc/04/43/94/814044394.db2.gz QTCKZKIDOMSUPA-IRXDYDNUSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCCCCCCC[N@H+](C)CCC(=O)N(C)C ZINC001209446130 814044719 /nfs/dbraw/zinc/04/47/19/814044719.db2.gz RZKLBPINHNYLQX-UHFFFAOYSA-N 1 1 268.445 3.313 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2c[nH]c3c2cccc3C)C1 ZINC001209487293 814056665 /nfs/dbraw/zinc/05/66/65/814056665.db2.gz INAUSLYOWLYGHU-AWEZNQCLSA-N 1 1 252.361 3.322 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2c[nH]c3cc(F)ccc23)C1 ZINC001209692786 814113375 /nfs/dbraw/zinc/11/33/75/814113375.db2.gz WLVKCFBXEKHWIB-GFCCVEGCSA-N 1 1 271.339 3.433 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](Cc2c[nH]c3cc(F)ccc23)C1 ZINC001209696869 814115198 /nfs/dbraw/zinc/11/51/98/814115198.db2.gz YBIKDWHPXCUWKV-OAHLLOKOSA-N 1 1 257.312 3.043 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](Cc2c[nH]c3cc(F)ccc23)C1 ZINC001209696869 814115199 /nfs/dbraw/zinc/11/51/99/814115199.db2.gz YBIKDWHPXCUWKV-OAHLLOKOSA-N 1 1 257.312 3.043 20 30 CGEDMO SC1CC[NH+](Cc2[nH]nc3ccc(Cl)cc32)CC1 ZINC001209755981 814131143 /nfs/dbraw/zinc/13/11/43/814131143.db2.gz UFACPAFMOUHWAS-UHFFFAOYSA-N 1 1 281.812 3.111 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CC(C)C)C1 ZINC001209799396 814146495 /nfs/dbraw/zinc/14/64/95/814146495.db2.gz IKOWVJKLUXNMKG-ARFHVFGLSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)CC(C)C)C1 ZINC001210159449 814316739 /nfs/dbraw/zinc/31/67/39/814316739.db2.gz SNIXZOMTGCMWIS-HZPDHXFCSA-N 1 1 294.483 3.461 20 30 CGEDMO CC[NH+]1CC(OCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC001210235624 814358411 /nfs/dbraw/zinc/35/84/11/814358411.db2.gz QLXBPIKFULGTGI-UHFFFAOYSA-N 1 1 292.382 3.446 20 30 CGEDMO N#Cc1c2c(cnc1-c1cccc(O)c1Cl)C[NH2+]CCC2 ZINC001242797423 823135158 /nfs/dbraw/zinc/13/51/58/823135158.db2.gz AZLFMGCWICRPBM-UHFFFAOYSA-N 1 1 299.761 3.015 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)CC)[C@@H]2C1 ZINC001221278814 816308321 /nfs/dbraw/zinc/30/83/21/816308321.db2.gz HNBBGRYHNLZFQO-GVDBMIGSSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC(=O)N1C[C@H]2CC[N@@H+](CC3CCCCC3)C[C@H]21 ZINC001221430959 816312694 /nfs/dbraw/zinc/31/26/94/816312694.db2.gz UYJZPCCORLWZII-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[N@H+](CCCCC)C[C@H]21 ZINC001221730969 816323281 /nfs/dbraw/zinc/32/32/81/816323281.db2.gz WVHXQNLNOMEHKD-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1C[C@H]2CC[N@H+](CCC(C)C)C[C@H]21 ZINC001221760437 816327013 /nfs/dbraw/zinc/32/70/13/816327013.db2.gz GCIDKGGPERABKK-GVDBMIGSSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC(C)C)[C@@H]2C1 ZINC001221832002 816329970 /nfs/dbraw/zinc/32/99/70/816329970.db2.gz FNWKLBIGAWUHCT-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCn1cc(-c2ccc([C@@H]3CCCC[N@@H+]3C)cn2)cn1 ZINC001222382447 816424453 /nfs/dbraw/zinc/42/44/53/816424453.db2.gz JZKLXGOOEOVKON-KRWDZBQOSA-N 1 1 282.391 3.288 20 30 CGEDMO C=CCn1cc(-c2ccc([C@@H]3CC[N@H+](C)C3)cc2)cn1 ZINC001222413629 816438550 /nfs/dbraw/zinc/43/85/50/816438550.db2.gz YFQUJHSVDMDJOP-MRXNPFEDSA-N 1 1 267.376 3.155 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)CCC)C[C@@H]21 ZINC001222476232 816453298 /nfs/dbraw/zinc/45/32/98/816453298.db2.gz SQSHXMMSIPJUPO-BBWFWOEESA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)C[C@H](C)CC)CC1 ZINC001222994540 816549813 /nfs/dbraw/zinc/54/98/13/816549813.db2.gz YDKBIGAFUWEDFB-GFCCVEGCSA-N 1 1 286.847 3.003 20 30 CGEDMO CC(C)[N@@H+]1CCC[C@H](O/C(=N\O)c2ccc(Cl)cc2)C1 ZINC001223594223 816655556 /nfs/dbraw/zinc/65/55/56/816655556.db2.gz VBQSVONOYJUAHW-MBUFOBGISA-N 1 1 296.798 3.365 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H](O/C(=N\O)c2ccc(Cl)cc2)C1 ZINC001223594223 816655559 /nfs/dbraw/zinc/65/55/59/816655559.db2.gz VBQSVONOYJUAHW-MBUFOBGISA-N 1 1 296.798 3.365 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)CC(C)C)C[C@@H]21 ZINC001223778565 816680790 /nfs/dbraw/zinc/68/07/90/816680790.db2.gz PSRQPYKSSSMILW-BBWFWOEESA-N 1 1 292.467 3.168 20 30 CGEDMO CC[N@H+]1CC[C@@H](OCc2ccc(C#N)c3ccccc23)C1 ZINC001224029059 816723961 /nfs/dbraw/zinc/72/39/61/816723961.db2.gz OQCLHURRVMMWGD-MRXNPFEDSA-N 1 1 280.371 3.322 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)CCCC2CC2)CC1 ZINC001224149485 816743005 /nfs/dbraw/zinc/74/30/05/816743005.db2.gz SBMOHZPPDCJBFM-UHFFFAOYSA-N 1 1 298.858 3.147 20 30 CGEDMO CCCCCCCCOCC[N@H+]1CC[C@@H](OC)C1 ZINC001224570008 816828494 /nfs/dbraw/zinc/82/84/94/816828494.db2.gz DDSDQWUGGGTYOF-OAHLLOKOSA-N 1 1 257.418 3.084 20 30 CGEDMO C=C(CO[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC001224734427 816868701 /nfs/dbraw/zinc/86/87/01/816868701.db2.gz PGTCBLAAUKDSDH-BJWYYQGGSA-N 1 1 257.377 3.342 20 30 CGEDMO C=C(CO[C@H]1[C@@H]2CCC[C@H]1C[N@H+](C)C2)c1ccccc1 ZINC001224739919 816870080 /nfs/dbraw/zinc/87/00/80/816870080.db2.gz VRAKSENKONAOIV-PIIMJCKOSA-N 1 1 271.404 3.447 20 30 CGEDMO C#CC[C@H](C)OC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001224826387 816890633 /nfs/dbraw/zinc/89/06/33/816890633.db2.gz PIMHXSAVGMJJGM-WMZOPIPTSA-N 1 1 271.404 3.327 20 30 CGEDMO C(#CC1CC1)CO[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001224843992 816893142 /nfs/dbraw/zinc/89/31/42/816893142.db2.gz ILSDLMYKWISOGF-GOSISDBHSA-N 1 1 269.388 3.081 20 30 CGEDMO C(#CC1CC1)CO[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC001224851140 816895097 /nfs/dbraw/zinc/89/50/97/816895097.db2.gz WKTGUQHGNQWCBP-HSALFYBXSA-N 1 1 295.426 3.327 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H](Oc2ccc(CC#N)cc2)C1 ZINC001225264626 816986220 /nfs/dbraw/zinc/98/62/20/816986220.db2.gz AUIXVYXJVIOPAI-MRXNPFEDSA-N 1 1 258.365 3.004 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)C[C@H](C)C2CC2)CC1 ZINC001225597470 817106609 /nfs/dbraw/zinc/10/66/09/817106609.db2.gz PUNHNVFREORJFC-LBPRGKRZSA-N 1 1 298.858 3.003 20 30 CGEDMO Cc1c(C#N)c(OC2C[NH+](C(C)(C)C)C2)nc2ccccc12 ZINC001226444459 817358860 /nfs/dbraw/zinc/35/88/60/817358860.db2.gz IJJIEYGZZATLOZ-UHFFFAOYSA-N 1 1 295.386 3.276 20 30 CGEDMO Cc1ccc(C#N)c(O[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC001226757588 817454407 /nfs/dbraw/zinc/45/44/07/817454407.db2.gz YNXQQWIULFKGBA-OAHLLOKOSA-N 1 1 258.365 3.118 20 30 CGEDMO CC[N@H+]1CCC[C@H](Oc2cc(C)c(C#N)c(C)c2)C1 ZINC001226834362 817479990 /nfs/dbraw/zinc/47/99/90/817479990.db2.gz RQAQJYNNTVPLGC-AWEZNQCLSA-N 1 1 258.365 3.038 20 30 CGEDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc(C#N)cc(C#N)c1)C2 ZINC001226900508 817499124 /nfs/dbraw/zinc/49/91/24/817499124.db2.gz YLFJLFYFKYRMGV-VQFNDLOPSA-N 1 1 295.386 3.213 20 30 CGEDMO CC(=O)c1cc(C#N)ccc1O[C@@H]1CCC[N@H+](C(C)C)C1 ZINC001226974177 817521609 /nfs/dbraw/zinc/52/16/09/817521609.db2.gz CBHVNDVIDOXFNM-OAHLLOKOSA-N 1 1 286.375 3.012 20 30 CGEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(Cl)cc1C#N)C2 ZINC001227205552 817591107 /nfs/dbraw/zinc/59/11/07/817591107.db2.gz MSTVAHBSJUYJDD-WDNDVIMCSA-N 1 1 276.767 3.216 20 30 CGEDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2Oc1cccc(Cl)c1C#N ZINC001227788224 817721613 /nfs/dbraw/zinc/72/16/13/817721613.db2.gz YPGZYAXRUWKSMS-ATCWAGBWSA-N 1 1 290.794 3.321 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H](Oc2cc(F)c(C#N)c(F)c2)C1 ZINC001228225282 817843374 /nfs/dbraw/zinc/84/33/74/817843374.db2.gz YFLYPHRDWCVIAQ-NSHDSACASA-N 1 1 280.318 3.088 20 30 CGEDMO CCCCCCC[N@@H+](C)CCCNC(=O)CC(C)C ZINC001231327046 818076515 /nfs/dbraw/zinc/07/65/15/818076515.db2.gz XCQOHTMTVCVWIO-UHFFFAOYSA-N 1 1 270.461 3.441 20 30 CGEDMO Cc1c(F)ccc(C[N@@H+]2CCC[C@H](CC#N)C2)c1F ZINC001231477923 818106243 /nfs/dbraw/zinc/10/62/43/818106243.db2.gz TWDPXFRRMRVHMN-GFCCVEGCSA-N 1 1 264.319 3.399 20 30 CGEDMO Cc1c(F)ccc(C[N@H+]2CCC[C@H](CC#N)C2)c1F ZINC001231477923 818106250 /nfs/dbraw/zinc/10/62/50/818106250.db2.gz TWDPXFRRMRVHMN-GFCCVEGCSA-N 1 1 264.319 3.399 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CCc3ccsc3C2)c1 ZINC001231659144 818150379 /nfs/dbraw/zinc/15/03/79/818150379.db2.gz HNXIRFFIVUVQKZ-UHFFFAOYSA-N 1 1 253.370 3.288 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CCc3sccc3C2)c1 ZINC001231655960 818150435 /nfs/dbraw/zinc/15/04/35/818150435.db2.gz CVNPTEHZJQNAKL-UHFFFAOYSA-N 1 1 253.370 3.288 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CCC[C@@H]2CC(=O)OC(C)(C)C)c1 ZINC001231661372 818151683 /nfs/dbraw/zinc/15/16/83/818151683.db2.gz RRYDKTAFSCACLB-QGZVFWFLSA-N 1 1 299.414 3.364 20 30 CGEDMO C#Cc1cccc(C[N@H+](CCCCCO)C(C)C)c1 ZINC001231660480 818151795 /nfs/dbraw/zinc/15/17/95/818151795.db2.gz HBRRQKWIQADDDY-UHFFFAOYSA-N 1 1 259.393 3.041 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CC[C@H](Oc3ncccc3C)C2)c1 ZINC001231662650 818153692 /nfs/dbraw/zinc/15/36/92/818153692.db2.gz FFQXMFRHPQXBAS-SFHVURJKSA-N 1 1 292.382 3.025 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CCC[C@H](Oc3ccncc3)C2)c1 ZINC001231662206 818153998 /nfs/dbraw/zinc/15/39/98/818153998.db2.gz BVIMGYVCMOLODF-IBGZPJMESA-N 1 1 292.382 3.106 20 30 CGEDMO C[N@@H+](Cc1cc2ccncc2[nH]1)Cc1cccc(C#N)c1 ZINC001232097897 818255899 /nfs/dbraw/zinc/25/58/99/818255899.db2.gz VTORDTDCTDOMRJ-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Cl)c(O)cc1O ZINC001232262565 818298387 /nfs/dbraw/zinc/29/83/87/818298387.db2.gz JVUFYWUVTVECHF-WLLOZRIZSA-N 1 1 292.766 3.018 20 30 CGEDMO COc1cc(O)c(C[N@H+]2CCC[C@H](CC#N)C2)cc1Cl ZINC001232269500 818300468 /nfs/dbraw/zinc/30/04/68/818300468.db2.gz CHCNARPSZNDAEM-LLVKDONJSA-N 1 1 294.782 3.180 20 30 CGEDMO C=CC[NH+](CC=C)Cc1ccc(Br)nc1C ZINC001232324156 818315395 /nfs/dbraw/zinc/31/53/95/818315395.db2.gz RCPWUVJGDXMGEF-UHFFFAOYSA-N 1 1 281.197 3.327 20 30 CGEDMO N#Cc1ccnc(C[N@H+]2CCC[C@@H]2C2CCCCC2)c1 ZINC001232480053 818365358 /nfs/dbraw/zinc/36/53/58/818365358.db2.gz HCGFKACUEJOELC-QGZVFWFLSA-N 1 1 269.392 3.498 20 30 CGEDMO C=CC[N@@H+](C)Cc1cccnc1NC(=O)OC(C)(C)C ZINC001232541947 818382289 /nfs/dbraw/zinc/38/22/89/818382289.db2.gz AVYAWEYAJMBREB-UHFFFAOYSA-N 1 1 277.368 3.046 20 30 CGEDMO C=CC[N@H+](C)Cc1cccnc1NC(=O)OC(C)(C)C ZINC001232541947 818382295 /nfs/dbraw/zinc/38/22/95/818382295.db2.gz AVYAWEYAJMBREB-UHFFFAOYSA-N 1 1 277.368 3.046 20 30 CGEDMO C[N@@H+](Cc1nc2ccccc2o1)Cc1cc(C#N)ccc1[O-] ZINC001232677490 818416640 /nfs/dbraw/zinc/41/66/40/818416640.db2.gz DWMQQZNTUMZXJL-UHFFFAOYSA-N 1 1 293.326 3.037 20 30 CGEDMO CN(Cc1nc2ccccc2o1)Cc1cc(C#N)ccc1[O-] ZINC001232677490 818416644 /nfs/dbraw/zinc/41/66/44/818416644.db2.gz DWMQQZNTUMZXJL-UHFFFAOYSA-N 1 1 293.326 3.037 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cccc3ncsc32)C1 ZINC001232732417 818426098 /nfs/dbraw/zinc/42/60/98/818426098.db2.gz HGPJQRGNONDUIJ-LBPRGKRZSA-N 1 1 271.389 3.422 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCOC[C@H]2C2CCCCC2)s1 ZINC001232845480 818454272 /nfs/dbraw/zinc/45/42/72/818454272.db2.gz ZIMWEAOILTWUCR-INIZCTEOSA-N 1 1 290.432 3.401 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCOC[C@H]2C2CCCCC2)s1 ZINC001232845480 818454276 /nfs/dbraw/zinc/45/42/76/818454276.db2.gz ZIMWEAOILTWUCR-INIZCTEOSA-N 1 1 290.432 3.401 20 30 CGEDMO CCCOC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC001232891606 818467466 /nfs/dbraw/zinc/46/74/66/818467466.db2.gz LTPHURXNSYMLET-UHFFFAOYSA-N 1 1 276.355 3.088 20 30 CGEDMO C[N@@H+](CCc1ccccc1Cl)Cc1cccc(C#N)n1 ZINC001232924671 818474305 /nfs/dbraw/zinc/47/43/05/818474305.db2.gz SCFIZHHSQSROLG-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCC(F)(F)[C@H](C)C2)c(C#N)c1 ZINC001232962933 818483961 /nfs/dbraw/zinc/48/39/61/818483961.db2.gz UWHOGBOPMHWWHK-GFCCVEGCSA-N 1 1 264.319 3.344 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC(F)(F)[C@H](C)C2)c(C#N)c1 ZINC001232962933 818483964 /nfs/dbraw/zinc/48/39/64/818483964.db2.gz UWHOGBOPMHWWHK-GFCCVEGCSA-N 1 1 264.319 3.344 20 30 CGEDMO N#Cc1cc[nH]c1C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC001233045166 818508764 /nfs/dbraw/zinc/50/87/64/818508764.db2.gz QIHCXPHQQIKEID-MRXNPFEDSA-N 1 1 265.360 3.266 20 30 CGEDMO CO[C@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3C)C[C@@H]21 ZINC001233081180 818518539 /nfs/dbraw/zinc/51/85/39/818518539.db2.gz SAKSSJXNBBJCMT-SQNIBIBYSA-N 1 1 284.403 3.114 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC(=O)[C@H]2CCCC[C@H]21 ZINC001233080059 818519750 /nfs/dbraw/zinc/51/97/50/818519750.db2.gz CGWOEZXIHVFEED-DLBZAZTESA-N 1 1 282.387 3.200 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC(=O)[C@H]2CCCC[C@H]21 ZINC001233080059 818519757 /nfs/dbraw/zinc/51/97/57/818519757.db2.gz CGWOEZXIHVFEED-DLBZAZTESA-N 1 1 282.387 3.200 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@](C)(F)[C@H](F)C1 ZINC001233080730 818519826 /nfs/dbraw/zinc/51/98/26/818519826.db2.gz VIYRNXSDEUENJL-HUUCEWRRSA-N 1 1 264.319 3.139 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@](C)(F)[C@H](F)C1 ZINC001233080730 818519831 /nfs/dbraw/zinc/51/98/31/818519831.db2.gz VIYRNXSDEUENJL-HUUCEWRRSA-N 1 1 264.319 3.139 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccc(N(C)C)c(C#N)c2F)[C@@H](C)C1 ZINC001233100916 818521390 /nfs/dbraw/zinc/52/13/90/818521390.db2.gz NTTVLFYRGUWNOH-STQMWFEESA-N 1 1 289.398 3.384 20 30 CGEDMO Cc1cc(C[N@@H+]2CCc3cc(C#N)ccc3C2)cnc1C ZINC001233156538 818527544 /nfs/dbraw/zinc/52/75/44/818527544.db2.gz POGNJIYRCMFWEJ-UHFFFAOYSA-N 1 1 277.371 3.128 20 30 CGEDMO Cc1cc(C[N@H+]2CCc3cc(C#N)ccc3C2)cnc1C ZINC001233156538 818527550 /nfs/dbraw/zinc/52/75/50/818527550.db2.gz POGNJIYRCMFWEJ-UHFFFAOYSA-N 1 1 277.371 3.128 20 30 CGEDMO Cc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)cnc1C ZINC001233163355 818531614 /nfs/dbraw/zinc/53/16/14/818531614.db2.gz XYKVBVHWVITZHC-UHFFFAOYSA-N 1 1 265.360 3.202 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCc3ccc(C#N)cc3C2)cc1O ZINC001233230156 818545755 /nfs/dbraw/zinc/54/57/55/818545755.db2.gz ZFWATYKHCVRISH-UHFFFAOYSA-N 1 1 278.355 3.131 20 30 CGEDMO Cc1ccc(C[N@H+]2CCc3ccc(C#N)cc3C2)cc1O ZINC001233230156 818545764 /nfs/dbraw/zinc/54/57/64/818545764.db2.gz ZFWATYKHCVRISH-UHFFFAOYSA-N 1 1 278.355 3.131 20 30 CGEDMO C[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2[O-])CC1 ZINC001233388122 818606455 /nfs/dbraw/zinc/60/64/55/818606455.db2.gz MNEHPNJSKMEIBB-NNUKFRKNSA-N 1 1 258.365 3.274 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1[O-])[C@H]1CCc2ccccc21 ZINC001233387841 818606515 /nfs/dbraw/zinc/60/65/15/818606515.db2.gz AXSUAILZMDZATN-KRWDZBQOSA-N 1 1 278.355 3.383 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1O)[C@H]1CCc2ccccc21 ZINC001233387841 818606522 /nfs/dbraw/zinc/60/65/22/818606522.db2.gz AXSUAILZMDZATN-KRWDZBQOSA-N 1 1 278.355 3.383 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1O)[C@H]1CCc2ccccc21 ZINC001233387841 818606527 /nfs/dbraw/zinc/60/65/27/818606527.db2.gz AXSUAILZMDZATN-KRWDZBQOSA-N 1 1 278.355 3.383 20 30 CGEDMO N#Cc1ccc(C[NH+]2CCC(c3ccncc3)CC2)c(O)c1 ZINC001233385615 818606553 /nfs/dbraw/zinc/60/65/53/818606553.db2.gz OEPZDYRLMNFSLC-UHFFFAOYSA-N 1 1 293.370 3.038 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)c(O)c1 ZINC001233386017 818607528 /nfs/dbraw/zinc/60/75/28/818607528.db2.gz BNTTYDOHAXBWNQ-GOEBONIOSA-N 1 1 270.376 3.418 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)c(O)c1 ZINC001233386017 818607531 /nfs/dbraw/zinc/60/75/31/818607531.db2.gz BNTTYDOHAXBWNQ-GOEBONIOSA-N 1 1 270.376 3.418 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCc3cccc(Cl)c3C2)c([O-])c1 ZINC001233387777 818607766 /nfs/dbraw/zinc/60/77/66/818607766.db2.gz XXCIAXBBQUOGHW-UHFFFAOYSA-N 1 1 298.773 3.476 20 30 CGEDMO N#CCC1CC[NH+](Cc2cn3ccc(Cl)cc3n2)CC1 ZINC001233391576 818608507 /nfs/dbraw/zinc/60/85/07/818608507.db2.gz NXEGFEBOBMUMCG-UHFFFAOYSA-N 1 1 288.782 3.113 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccc(C(=O)OC)c(OC)c1 ZINC001233533842 818635090 /nfs/dbraw/zinc/63/50/90/818635090.db2.gz MMDXTNLWTKHBBA-UHFFFAOYSA-N 1 1 291.391 3.270 20 30 CGEDMO C[N@H+]1CCC[C@@H](Oc2c(Cl)cccc2C#N)CC1 ZINC001233547750 818637419 /nfs/dbraw/zinc/63/74/19/818637419.db2.gz NTBIHBNYVQRKAP-GFCCVEGCSA-N 1 1 264.756 3.075 20 30 CGEDMO C/C=C(/C)C(=O)N(C)C[C@H]1CC[N@@H+]1CCCCCCC ZINC001233568920 818644549 /nfs/dbraw/zinc/64/45/49/818644549.db2.gz HIYHOVZRRHSSNF-OBHDYHNASA-N 1 1 280.456 3.456 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCCNC(=O)CC1CCCCC1 ZINC001233678988 818678562 /nfs/dbraw/zinc/67/85/62/818678562.db2.gz JHFBAFMDTUIWIP-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO CCCCCCC[N@@H+](C)CCCNC(=O)CCSC ZINC001233687144 818681776 /nfs/dbraw/zinc/68/17/76/818681776.db2.gz UOGFFCXPWLYRJZ-UHFFFAOYSA-N 1 1 288.501 3.148 20 30 CGEDMO C[N@H+]1CCC[C@@H](Oc2cc(C(F)(F)F)ccc2C#N)CC1 ZINC001233732886 818693360 /nfs/dbraw/zinc/69/33/60/818693360.db2.gz UFQVEWPDBYVYDV-CYBMUJFWSA-N 1 1 298.308 3.440 20 30 CGEDMO N#Cc1cc(OC2CC[NH+](CCF)CC2)ccc1Cl ZINC001233922040 818731898 /nfs/dbraw/zinc/73/18/98/818731898.db2.gz ZDQHSOWWFDUCJJ-UHFFFAOYSA-N 1 1 282.746 3.024 20 30 CGEDMO C#CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1CCCCCC=C ZINC001233948193 818737517 /nfs/dbraw/zinc/73/75/17/818737517.db2.gz RXCBSQFEWQYQMY-KRWDZBQOSA-N 1 1 290.451 3.069 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)CCCCC(C)(C)C ZINC001234509719 818870615 /nfs/dbraw/zinc/87/06/15/818870615.db2.gz OYWTXXWRWDQHHO-INIZCTEOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1CCCCC ZINC001234624564 818895076 /nfs/dbraw/zinc/89/50/76/818895076.db2.gz DSIFYPMZIMRAFP-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCCC(=O)NCCC[N@H+](C)CCCc1ccsc1 ZINC001235451086 819103076 /nfs/dbraw/zinc/10/30/76/819103076.db2.gz CAMALUBSJQJAQB-UHFFFAOYSA-N 1 1 294.464 3.085 20 30 CGEDMO N#CCc1ccccc1C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001235512132 819112646 /nfs/dbraw/zinc/11/26/46/819112646.db2.gz PSLCQZAZDBVIJE-CALCHBBNSA-N 1 1 254.377 3.375 20 30 CGEDMO COc1ccccc1CC[N@@H+](C)Cc1ccccc1CC#N ZINC001235523218 819114738 /nfs/dbraw/zinc/11/47/38/819114738.db2.gz NRJCDEMDQFJMEW-UHFFFAOYSA-N 1 1 294.398 3.436 20 30 CGEDMO C=CCCCCCC[N@@H+](CCCOC)C1CCNCC1 ZINC001235937683 819232498 /nfs/dbraw/zinc/23/24/98/819232498.db2.gz PJDNHASAVAPPAP-UHFFFAOYSA-N 1 1 282.472 3.213 20 30 CGEDMO C=CCCCCCC[N@H+](CCCOC)C1CCNCC1 ZINC001235937683 819232506 /nfs/dbraw/zinc/23/25/06/819232506.db2.gz PJDNHASAVAPPAP-UHFFFAOYSA-N 1 1 282.472 3.213 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCc2c(N)cccc2C1 ZINC001236364076 819435630 /nfs/dbraw/zinc/43/56/30/819435630.db2.gz PNZBDOUULMZXDY-UHFFFAOYSA-N 1 1 294.398 3.392 20 30 CGEDMO C=CCCCN(Cc1cccc(F)c1)C1CC[NH2+]CC1 ZINC001236401235 819450808 /nfs/dbraw/zinc/45/08/08/819450808.db2.gz LUGBIMOISWTWDD-UHFFFAOYSA-N 1 1 276.399 3.346 20 30 CGEDMO CCCCCCCCCC[N@@H+](C)CC1=CS[C@@H](N)N1 ZINC001236422251 819469047 /nfs/dbraw/zinc/46/90/47/819469047.db2.gz DWBYUINWYGHBQH-HNNXBMFYSA-N 1 1 285.501 3.479 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cnc(OCC)c(F)c1 ZINC001236693277 819574747 /nfs/dbraw/zinc/57/47/47/819574747.db2.gz CYZJHOAEROJGCK-UHFFFAOYSA-N 1 1 266.360 3.408 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236833151 819611327 /nfs/dbraw/zinc/61/13/27/819611327.db2.gz ORVWDORCOUQMOD-CQSZACIVSA-N 1 1 265.356 3.391 20 30 CGEDMO COc1cccc2c(C[N@H+]3CCC[C@H](C#N)CC3)ccnc12 ZINC001237117729 819671742 /nfs/dbraw/zinc/67/17/42/819671742.db2.gz UNVYTDSWUGUFGV-AWEZNQCLSA-N 1 1 295.386 3.369 20 30 CGEDMO C=CCCCCCCCCC[N@H+]1CC[C@]2(C1)CNCCO2 ZINC001237142608 819676389 /nfs/dbraw/zinc/67/63/89/819676389.db2.gz OMKDMDGWYJZACG-GOSISDBHSA-N 1 1 294.483 3.358 20 30 CGEDMO CCc1cccc(C)c1C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001237322250 819724007 /nfs/dbraw/zinc/72/40/07/819724007.db2.gz BNCPTPRTZWSFJG-INIZCTEOSA-N 1 1 287.428 3.332 20 30 CGEDMO CCc1cccc(C)c1C[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001237322250 819724011 /nfs/dbraw/zinc/72/40/11/819724011.db2.gz BNCPTPRTZWSFJG-INIZCTEOSA-N 1 1 287.428 3.332 20 30 CGEDMO CCc1cccc(C)c1C[N@H+]1CCC2SC(=O)C=C2C1 ZINC001237322250 819724016 /nfs/dbraw/zinc/72/40/16/819724016.db2.gz BNCPTPRTZWSFJG-INIZCTEOSA-N 1 1 287.428 3.332 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2c(Cl)[nH]c3cnccc32)C1 ZINC001237462017 819757893 /nfs/dbraw/zinc/75/78/93/819757893.db2.gz QMNSHWCRSRVNFZ-LLVKDONJSA-N 1 1 288.782 3.342 20 30 CGEDMO CC(C)[N@H+](Cc1cc(C#N)c(F)cc1F)CC1CC1 ZINC001237526475 819772520 /nfs/dbraw/zinc/77/25/20/819772520.db2.gz PLQOCNDGIKPZAD-UHFFFAOYSA-N 1 1 264.319 3.457 20 30 CGEDMO C[C@@H]1CCCC[N@@H+](Cc2cc(C#N)c(F)cc2F)C1 ZINC001237525555 819772806 /nfs/dbraw/zinc/77/28/06/819772806.db2.gz SGKXSIVXAICNJE-LLVKDONJSA-N 1 1 264.319 3.458 20 30 CGEDMO CCCC[N@@H+](CCC)Cc1cn2cc(C#N)ccc2n1 ZINC001237615892 819787456 /nfs/dbraw/zinc/78/74/56/819787456.db2.gz XSLVWUFFZDOKKT-UHFFFAOYSA-N 1 1 270.380 3.218 20 30 CGEDMO Cc1coc(C[NH+]2CCC(Cc3ccc(C#N)cc3)CC2)n1 ZINC001237644639 819797801 /nfs/dbraw/zinc/79/78/01/819797801.db2.gz GRRLVRNFRKQHIB-UHFFFAOYSA-N 1 1 295.386 3.309 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC001237746377 819832737 /nfs/dbraw/zinc/83/27/37/819832737.db2.gz LZOLLUDQMHWSFT-ZBFHGGJFSA-N 1 1 290.794 3.213 20 30 CGEDMO C[C@@]1(CO)CCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)CC1 ZINC001237745133 819833094 /nfs/dbraw/zinc/83/30/94/819833094.db2.gz CFTWKACBFTVEMG-MRXNPFEDSA-N 1 1 292.810 3.196 20 30 CGEDMO COc1cc(-c2ccc[nH]2)[nH]c1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001237881737 819869915 /nfs/dbraw/zinc/86/99/15/819869915.db2.gz HNHRATLSOGJEOO-ZDUSSCGKSA-N 1 1 298.390 3.144 20 30 CGEDMO COc1cc(-c2ccc[nH]2)[nH]c1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001237881737 819869925 /nfs/dbraw/zinc/86/99/25/819869925.db2.gz HNHRATLSOGJEOO-ZDUSSCGKSA-N 1 1 298.390 3.144 20 30 CGEDMO C#CC[N@H+](C)Cc1c[nH]c2cc(F)c(Br)cc12 ZINC001237935032 819887246 /nfs/dbraw/zinc/88/72/46/819887246.db2.gz UUIQAPLPNHMDRE-UHFFFAOYSA-N 1 1 295.155 3.135 20 30 CGEDMO COc1ncc(C2CC2)cc1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001238029520 819917010 /nfs/dbraw/zinc/91/70/10/819917010.db2.gz URLRKXRCBZHXBV-CYBMUJFWSA-N 1 1 285.391 3.093 20 30 CGEDMO COc1ncc(C2CC2)cc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001238029520 819917018 /nfs/dbraw/zinc/91/70/18/819917018.db2.gz URLRKXRCBZHXBV-CYBMUJFWSA-N 1 1 285.391 3.093 20 30 CGEDMO CC(C)[N@H+]1CCN(Cc2ccc(C#N)cc2Cl)C[C@@H]1C ZINC001238089693 819929564 /nfs/dbraw/zinc/92/95/64/819929564.db2.gz XZBJVOJFBDPLPG-ZDUSSCGKSA-N 1 1 291.826 3.126 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cccc(-c3cc[nH]n3)c2)C1 ZINC001238205416 819956031 /nfs/dbraw/zinc/95/60/31/819956031.db2.gz DICBMKKLBNBBIQ-CQSZACIVSA-N 1 1 280.375 3.202 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cccc(OC(C)C)c2F)C1 ZINC001238429470 819995062 /nfs/dbraw/zinc/99/50/62/819995062.db2.gz IPCBNLFBVZBGDN-AWEZNQCLSA-N 1 1 275.367 3.458 20 30 CGEDMO C=CC[N@H+](C)Cc1cc(OC)ccc1-c1ccncc1 ZINC001238649366 820068275 /nfs/dbraw/zinc/06/82/75/820068275.db2.gz ARYZXQZRUOHTNO-UHFFFAOYSA-N 1 1 268.360 3.375 20 30 CGEDMO CCc1cc(C[NH+]2CC3(C2)CC(F)(F)C3)ccc1C#N ZINC001238762116 820111688 /nfs/dbraw/zinc/11/16/88/820111688.db2.gz APHNPIWRKRONIL-UHFFFAOYSA-N 1 1 276.330 3.352 20 30 CGEDMO CCc1cc(C[N@@H+]2CCC[C@H]2c2cnccn2)ccc1C#N ZINC001238770271 820112671 /nfs/dbraw/zinc/11/26/71/820112671.db2.gz AAMBFACIOQVAFD-SFHVURJKSA-N 1 1 292.386 3.248 20 30 CGEDMO CCc1cc(C[N@H+]2CCC[C@H]2c2cnccn2)ccc1C#N ZINC001238770271 820112677 /nfs/dbraw/zinc/11/26/77/820112677.db2.gz AAMBFACIOQVAFD-SFHVURJKSA-N 1 1 292.386 3.248 20 30 CGEDMO CCc1cc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)ccc1C#N ZINC001238767321 820113707 /nfs/dbraw/zinc/11/37/07/820113707.db2.gz TVWRMSTYCQMWEM-MSOLQXFVSA-N 1 1 284.403 3.122 20 30 CGEDMO CCc1cc(C[N@@H+]2CCc3nc(C)sc3C2)ccc1C#N ZINC001238778327 820115792 /nfs/dbraw/zinc/11/57/92/820115792.db2.gz LWWKVIZXFZNGPK-UHFFFAOYSA-N 1 1 297.427 3.444 20 30 CGEDMO CCc1cc(C[N@H+]2CCc3nc(C)sc3C2)ccc1C#N ZINC001238778327 820115797 /nfs/dbraw/zinc/11/57/97/820115797.db2.gz LWWKVIZXFZNGPK-UHFFFAOYSA-N 1 1 297.427 3.444 20 30 CGEDMO CCc1cc(C[N@H+]2CCC[C@H](C#N)CC2)ccc1C#N ZINC001238777720 820116915 /nfs/dbraw/zinc/11/69/15/820116915.db2.gz HDUPOZMAAVUFOW-AWEZNQCLSA-N 1 1 267.376 3.246 20 30 CGEDMO CC(C)Oc1cc(C[NH+]2CCC(CC#N)CC2)c(F)cn1 ZINC001238803067 820125667 /nfs/dbraw/zinc/12/56/67/820125667.db2.gz VWDHORYNJFIWCL-UHFFFAOYSA-N 1 1 291.370 3.134 20 30 CGEDMO C[N@@H+]1CCC=C(c2cc(/C=N/O)cc(C(F)(F)F)c2)C1 ZINC001241570436 821956175 /nfs/dbraw/zinc/95/61/75/821956175.db2.gz IWROSHCKIVRAFZ-QGMBQPNBSA-N 1 1 284.281 3.232 20 30 CGEDMO C[N@H+]1CCC=C(c2cc(/C=N/O)cc(C(F)(F)F)c2)C1 ZINC001241570436 821956179 /nfs/dbraw/zinc/95/61/79/821956179.db2.gz IWROSHCKIVRAFZ-QGMBQPNBSA-N 1 1 284.281 3.232 20 30 CGEDMO Cc1cc(N)[nH+]cc1-c1cc(C#N)c2ccccc2n1 ZINC001242078753 822338039 /nfs/dbraw/zinc/33/80/39/822338039.db2.gz PSMPJHQFGIBZNU-UHFFFAOYSA-N 1 1 260.300 3.059 20 30 CGEDMO Cc1cc(N)[nH+]cc1-c1ccc2nc(C#N)ccc2c1 ZINC001242096011 822350359 /nfs/dbraw/zinc/35/03/59/822350359.db2.gz VWDGDBAWACGSCI-UHFFFAOYSA-N 1 1 260.300 3.059 20 30 CGEDMO C=C1CCC(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001338288784 936314930 /nfs/dbraw/zinc/31/49/30/936314930.db2.gz MJDDGKPBDSFTAD-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](CCCCc2ccccc2)C1 ZINC001338318667 936317124 /nfs/dbraw/zinc/31/71/24/936317124.db2.gz JIDFRJCJENLAGY-KRWDZBQOSA-N 1 1 259.393 3.286 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)CCC(C)C)C[C@H]1C ZINC001328220753 935125284 /nfs/dbraw/zinc/12/52/84/935125284.db2.gz CYWWXZNORKUHFP-CVEARBPZSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC1(C(=O)N(C)C[C@@H]2CC[N@H+]2CCCF)CCCC1 ZINC001479273191 936481016 /nfs/dbraw/zinc/48/10/16/936481016.db2.gz FCZHFIKRAYPAAV-HNNXBMFYSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC[C@H]1CCCN1C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC001346552370 936852804 /nfs/dbraw/zinc/85/28/04/936852804.db2.gz DMVJYWOYIPQCGQ-AWEZNQCLSA-N 1 1 288.395 3.110 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001346822791 936863038 /nfs/dbraw/zinc/86/30/38/936863038.db2.gz JCYUPBKTYPQNNL-IAGOWNOFSA-N 1 1 292.467 3.456 20 30 CGEDMO C#CC[N@@H+](Cc1nsc2ccccc21)CC1CC1 ZINC001350365366 936989822 /nfs/dbraw/zinc/98/98/22/936989822.db2.gz RSPHLPMEFBVWGQ-UHFFFAOYSA-N 1 1 256.374 3.142 20 30 CGEDMO C#CC[N@H+](Cc1nsc2ccccc21)CC1CC1 ZINC001350365366 936989826 /nfs/dbraw/zinc/98/98/26/936989826.db2.gz RSPHLPMEFBVWGQ-UHFFFAOYSA-N 1 1 256.374 3.142 20 30 CGEDMO CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](CC)CCC)C1 ZINC001480083707 937020101 /nfs/dbraw/zinc/02/01/01/937020101.db2.gz CYCOLGHLUZYHIK-IAGOWNOFSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](CNC(=O)/C(C)=C\CC)C1 ZINC001480246544 937040987 /nfs/dbraw/zinc/04/09/87/937040987.db2.gz YLTBKAQXJIWMMW-NXADEVLQSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)C1(CCF)CC1 ZINC001480322840 937046157 /nfs/dbraw/zinc/04/61/57/937046157.db2.gz JFMQEWCMJVWVGU-OAHLLOKOSA-N 1 1 296.430 3.063 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1CC(=O)Nc1ccc(C)c(Cl)c1 ZINC001473865853 937826118 /nfs/dbraw/zinc/82/61/18/937826118.db2.gz YVKLZEPMCMMCOC-CYBMUJFWSA-N 1 1 278.783 3.237 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1CC(=O)Nc1ccc(C)c(Cl)c1 ZINC001473865853 937826120 /nfs/dbraw/zinc/82/61/20/937826120.db2.gz YVKLZEPMCMMCOC-CYBMUJFWSA-N 1 1 278.783 3.237 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)[C@H](C)[C@@H](C)C(C)(C)C)C1CC1 ZINC001493427811 926710498 /nfs/dbraw/zinc/71/04/98/926710498.db2.gz UAVSYDDCWSTTPP-HUUCEWRRSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)CC[N@H+](C)CCNC(=O)[C@@]1(C)CCC[C@H]1CC ZINC001480879788 926711841 /nfs/dbraw/zinc/71/18/41/926711841.db2.gz SGZKJMCYTHLOIH-WBVHZDCISA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[N@H+](C)CC[C@@H]1CCC[C@@H](C)C1 ZINC001480898675 926761515 /nfs/dbraw/zinc/76/15/15/926761515.db2.gz ATPJGZFWYHPFCN-CVEARBPZSA-N 1 1 294.483 3.463 20 30 CGEDMO Cc1cc(F)c(C#N)c(NC[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC001472829951 937112004 /nfs/dbraw/zinc/11/20/04/937112004.db2.gz GUBGSZQUINUHLB-LBPRGKRZSA-N 1 1 275.371 3.291 20 30 CGEDMO COC(=[NH2+])c1cccc(NCCc2ccc(C#N)cc2)c1 ZINC001167678880 926828877 /nfs/dbraw/zinc/82/88/77/926828877.db2.gz BFPICMXCEVDTAS-UHFFFAOYSA-N 1 1 279.343 3.185 20 30 CGEDMO C=CCCC[N@H+](CC)CCNC(=O)[C@@H]1CCCC1(C)C ZINC001480993664 926853391 /nfs/dbraw/zinc/85/33/91/926853391.db2.gz HZADYNLJUFXSMV-HNNXBMFYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)C[C@H]1CC[C@@H](C)C1 ZINC001480994064 926855104 /nfs/dbraw/zinc/85/51/04/926855104.db2.gz WFVVPSJMJCIAQN-CVEARBPZSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1C=CCCC1 ZINC001481045015 926872904 /nfs/dbraw/zinc/87/29/04/926872904.db2.gz GLHKSRZPERMTDY-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@H]1CC[N@H+](CC(CC)CC)C1 ZINC001481094046 926883750 /nfs/dbraw/zinc/88/37/50/926883750.db2.gz NJLDUTHBLXDZLU-MRXNPFEDSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1CC[N@H+](C[C@H](C)CC)C1 ZINC001481112607 926888186 /nfs/dbraw/zinc/88/81/86/926888186.db2.gz LWZCMGQKAHWQDI-CABCVRRESA-N 1 1 280.456 3.073 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](CNC(=O)C/C=C\c2ccc(C)cc2)C1 ZINC001481128930 926892722 /nfs/dbraw/zinc/89/27/22/926892722.db2.gz WUHMNPGNCZANEN-PYTPGESOSA-N 1 1 298.430 3.022 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)c1sccc1C1CC1 ZINC001481152996 926897279 /nfs/dbraw/zinc/89/72/79/926897279.db2.gz OHDISZCDORKQMY-UHFFFAOYSA-N 1 1 292.448 3.253 20 30 CGEDMO C#CC[N@H+](CCCNC(=O)[C@@H]1CCC[C@@H]1CCC)C(C)C ZINC001481350866 926965353 /nfs/dbraw/zinc/96/53/53/926965353.db2.gz TYBWJFGSNFBECY-DLBZAZTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@@H](C[N@H+](C)CC/C=C\CC)C1 ZINC001481487504 927001784 /nfs/dbraw/zinc/00/17/84/927001784.db2.gz DLVNYNAZIKPGTJ-TUYSUELWSA-N 1 1 292.467 3.479 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)/C=C/C(C)(C)C)C1 ZINC001481533030 927015596 /nfs/dbraw/zinc/01/55/96/927015596.db2.gz VBGRLNAXKKYQPY-HQPKTYMTSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCC(C)(C)C ZINC001481676107 927056311 /nfs/dbraw/zinc/05/63/11/927056311.db2.gz MRDDFYMLWAFNDB-GJZGRUSLSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C2CC(C)(C)C2)C1 ZINC001481724243 927075241 /nfs/dbraw/zinc/07/52/41/927075241.db2.gz IVXWDDVEVJVPAE-GOEBONIOSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC1(C(=O)N(C)[C@@H]2CC[N@@H+](CC3CCC3)C2)CCC1 ZINC001481739911 927076558 /nfs/dbraw/zinc/07/65/58/927076558.db2.gz HCNNAKYJPYEKBK-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)CCC2CCCCC2)C1 ZINC001481750410 927077553 /nfs/dbraw/zinc/07/75/53/927077553.db2.gz MALLPBVWEZIHIC-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)CC1CCCCCC1 ZINC001482631278 927332372 /nfs/dbraw/zinc/33/23/72/927332372.db2.gz PYASSJJJYQAXKD-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC(CC)CC)CC[C@@H]21 ZINC001482668164 927346292 /nfs/dbraw/zinc/34/62/92/927346292.db2.gz VFJKGGLGUUFYNM-SJORKVTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(Cl)c(C)c1 ZINC001483380576 927493929 /nfs/dbraw/zinc/49/39/29/927493929.db2.gz BUZJVYKHRIURKF-CYBMUJFWSA-N 1 1 294.826 3.275 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H](C)C[N@@H+](C)CC1CCCC1 ZINC001483381385 927494120 /nfs/dbraw/zinc/49/41/20/927494120.db2.gz XWBXCZHEMRMQJT-RHSMWYFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CNC(=O)C[C@@H]1CCCCC1(C)C ZINC001483709429 927582764 /nfs/dbraw/zinc/58/27/64/927582764.db2.gz XRIBUSOZTXVSBG-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@H]1[C@@H]1CC[N@H+](CCCC)C1 ZINC001483802421 927626237 /nfs/dbraw/zinc/62/62/37/927626237.db2.gz QLJXRPNECAPCAT-SJORKVTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)C2CC3(CC3)C2)C1 ZINC001484058151 927669279 /nfs/dbraw/zinc/66/92/79/927669279.db2.gz PVZUZWBTHGGWET-PBHICJAKSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)C2(F)CCCCC2)C1 ZINC001484065627 927669691 /nfs/dbraw/zinc/66/96/91/927669691.db2.gz XFAOSPOVCOPJFC-INIZCTEOSA-N 1 1 296.430 3.206 20 30 CGEDMO C=CC[N@H+](C)Cc1ccccc1CNC(=O)[C@]12C[C@H]1CCC2 ZINC001484556028 927722365 /nfs/dbraw/zinc/72/23/65/927722365.db2.gz HPYZKBKPNOMHQO-IEBWSBKVSA-N 1 1 298.430 3.111 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)CCC)CC1 ZINC001484712003 927740404 /nfs/dbraw/zinc/74/04/04/927740404.db2.gz LOWPOSZNJUFXLQ-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)CC=C)C(C)(C)C1 ZINC001484941179 927773069 /nfs/dbraw/zinc/77/30/69/927773069.db2.gz YDDLLWQVIPQHNR-OAHLLOKOSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]1C[N@@H+](C)CCC(C)(C)C ZINC001485051473 927794733 /nfs/dbraw/zinc/79/47/33/927794733.db2.gz WQYUSQPKTOGYJX-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](CC)SC ZINC001485058098 927800767 /nfs/dbraw/zinc/80/07/67/927800767.db2.gz YHIZSZNTAGQIDC-LSDHHAIUSA-N 1 1 298.496 3.017 20 30 CGEDMO C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)CCCC ZINC001485477308 927877744 /nfs/dbraw/zinc/87/77/44/927877744.db2.gz RPQGCBRXFDDQGX-IAGOWNOFSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C2CCC2)C(C)(C)C1 ZINC001485569129 927889083 /nfs/dbraw/zinc/88/90/83/927889083.db2.gz GJMMKLRPSFHIGP-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cc(C(=O)OC)c(C)[nH]1 ZINC001474370586 937204092 /nfs/dbraw/zinc/20/40/92/937204092.db2.gz XKUXZQKRAXGTSU-UHFFFAOYSA-N 1 1 278.396 3.288 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@@]2(NC(=O)CCC)CCC[C@@H]12 ZINC001486134546 927987359 /nfs/dbraw/zinc/98/73/59/927987359.db2.gz FNZPJAKURCHWQG-UXLLHSPISA-N 1 1 278.440 3.254 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)/C=C(\C)C3CC3)CCC[C@@H]12 ZINC001486141755 927989835 /nfs/dbraw/zinc/98/98/35/927989835.db2.gz SFOSLZQNHXDDKX-RWUQBBKRSA-N 1 1 288.435 3.032 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1CCC[N@@H+](CCCF)[C@H]1C ZINC001486172947 927993785 /nfs/dbraw/zinc/99/37/85/927993785.db2.gz AWZPBOYMHPDGIY-GOEBONIOSA-N 1 1 296.430 3.084 20 30 CGEDMO C=C[C@H](CC)CC(=O)N(CC[N@@H+](C)C(C)C)C(C)C ZINC001486373968 928015826 /nfs/dbraw/zinc/01/58/26/928015826.db2.gz IRVLXBPNUJCTJN-OAHLLOKOSA-N 1 1 268.445 3.166 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)[C@H]1CC2CCC1CC2)C(C)C ZINC001486380503 928015967 /nfs/dbraw/zinc/01/59/67/928015967.db2.gz JIALDPLSYPEOOH-JCYILVPMSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[C@H]1CCC[N@H+]1Cc1noc(CCCC)n1 ZINC001560199659 937212094 /nfs/dbraw/zinc/21/20/94/937212094.db2.gz AAGPDKDVBOHWHV-ZDUSSCGKSA-N 1 1 263.385 3.343 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1noc(CCCC)n1 ZINC001560199659 937212098 /nfs/dbraw/zinc/21/20/98/937212098.db2.gz AAGPDKDVBOHWHV-ZDUSSCGKSA-N 1 1 263.385 3.343 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)C2(CC)CCCCC2)CC1 ZINC001486520437 928028440 /nfs/dbraw/zinc/02/84/40/928028440.db2.gz CJXRFNZTXYOOGR-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CCCCC(=O)NCC1=CC[N@@H+](CC2CC(C)C2)CC1 ZINC001486513559 928031181 /nfs/dbraw/zinc/03/11/81/928031181.db2.gz KITNXRYLDUJRKU-UHFFFAOYSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CNC(=O)C2(C)CC=CC2)CC1 ZINC001486515582 928031848 /nfs/dbraw/zinc/03/18/48/928031848.db2.gz ZBSNUYDSARQLDX-UHFFFAOYSA-N 1 1 288.435 3.057 20 30 CGEDMO C=CCCC[N@H+](CC)CCNC(=O)[C@H]1CCCC[C@@H]1C ZINC001493012114 928087479 /nfs/dbraw/zinc/08/74/79/928087479.db2.gz NXLDUNUOYCNTRW-HOTGVXAUSA-N 1 1 280.456 3.217 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@](C)(F)C1 ZINC001171208872 928201669 /nfs/dbraw/zinc/20/16/69/928201669.db2.gz GKZHCJNLAHZUMH-BBRMVZONSA-N 1 1 260.356 3.313 20 30 CGEDMO CCCCC[C@H]([NH2+]C1CCC(CC#N)CC1)C(=O)OC ZINC001173332811 928227699 /nfs/dbraw/zinc/22/76/99/928227699.db2.gz UHUKAQCBTOEBIU-NRXISQOPSA-N 1 1 280.412 3.170 20 30 CGEDMO C[C@@]1(F)CC[N@H+](C2CCC(CC#N)CC2)C[C@H]1F ZINC001173330899 928228760 /nfs/dbraw/zinc/22/87/60/928228760.db2.gz HJTWEHGHICVAOY-NWINJMCUSA-N 1 1 256.340 3.231 20 30 CGEDMO CC(C)N1CC[C@@H]([NH2+]C2CCC(CC#N)CC2)[C@@H](C)C1 ZINC001173332624 928228974 /nfs/dbraw/zinc/22/89/74/928228974.db2.gz PPXIASBUKDBQNB-ZGRYLRDCSA-N 1 1 277.456 3.167 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)CCC)[C@H]1CC ZINC001489133973 928317560 /nfs/dbraw/zinc/31/75/60/928317560.db2.gz ZTKOBXRKLNAIHQ-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)CC(C)C)C[C@@H]2C1 ZINC001489206004 928317859 /nfs/dbraw/zinc/31/78/59/928317859.db2.gz JCSRDVNITOIAQA-ZACQAIPSSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)CC2CCCC2)[C@H]1C ZINC001489294037 928323913 /nfs/dbraw/zinc/32/39/13/928323913.db2.gz RTDFNJCZMKLMIM-PVAVHDDUSA-N 1 1 292.467 3.358 20 30 CGEDMO CC#CC[N@@H+](CC)CCCNC(=O)[C@H](C)[C@H](C)C(C)(C)C ZINC001490349199 928345184 /nfs/dbraw/zinc/34/51/84/928345184.db2.gz PTFYNCMWZZFWKH-CVEARBPZSA-N 1 1 294.483 3.156 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)[C@@H](C)C(C)(C)C)C1CC1 ZINC001490377039 928350878 /nfs/dbraw/zinc/35/08/78/928350878.db2.gz ICWFLNJKMDVNEC-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CCC[N@H+](CCCCC)C1 ZINC001490451772 928360418 /nfs/dbraw/zinc/36/04/18/928360418.db2.gz BKDXLOUFLXJQBI-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)SC)C1 ZINC001490428389 928361864 /nfs/dbraw/zinc/36/18/64/928361864.db2.gz VUORPFAFPKDTTQ-GJZGRUSLSA-N 1 1 298.496 3.065 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCCC[C@@H]1CC1CCC1 ZINC001307949927 928810345 /nfs/dbraw/zinc/81/03/45/928810345.db2.gz OILSKQDGNVSNBK-CVEARBPZSA-N 1 1 251.414 3.358 20 30 CGEDMO C=CC1(CC(=O)N2CC[N@H+](CC)C[C@H]2CC)CCCCC1 ZINC001436240082 937277394 /nfs/dbraw/zinc/27/73/94/937277394.db2.gz FLACCLWRUYERHW-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)/C=C(\C)C2CC2)C1 ZINC001491092831 928831054 /nfs/dbraw/zinc/83/10/54/928831054.db2.gz JGCPYUYUJYUYRS-RBFDBLARSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)C[C@@H]2C=CCC2)C1 ZINC001491090915 928831598 /nfs/dbraw/zinc/83/15/98/928831598.db2.gz ZXMYKLFAEPGEEC-SJORKVTESA-N 1 1 290.451 3.137 20 30 CGEDMO CCC[N@@H+](CC)CCNc1ncc(C#N)c2ccsc21 ZINC001458217814 937455280 /nfs/dbraw/zinc/45/52/80/937455280.db2.gz BMBVMAKTENTOON-UHFFFAOYSA-N 1 1 288.420 3.312 20 30 CGEDMO Cc1cc(F)c(C#N)c(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC001458461762 937463934 /nfs/dbraw/zinc/46/39/34/937463934.db2.gz LQYIEHDMUAMWNF-WBVHZDCISA-N 1 1 287.382 3.435 20 30 CGEDMO Cn1c[nH+]cc1CCSc1ccc(Cl)cc1C#N ZINC001458970143 937477694 /nfs/dbraw/zinc/47/76/94/937477694.db2.gz QRTQKMFHPBREEB-UHFFFAOYSA-N 1 1 277.780 3.280 20 30 CGEDMO C#CC[N@H+](CC[C@H]1COC(C)(C)O1)[C@H]1CCc2ccccc21 ZINC001459341073 937485928 /nfs/dbraw/zinc/48/59/28/937485928.db2.gz AGUQXSQRYJQVJG-WMZOPIPTSA-N 1 1 299.414 3.151 20 30 CGEDMO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccncc1C ZINC001459402068 937487702 /nfs/dbraw/zinc/48/77/02/937487702.db2.gz CBIOSKWSUCZZGG-UHFFFAOYSA-N 1 1 268.335 3.165 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccncc1C ZINC001459402068 937487705 /nfs/dbraw/zinc/48/77/05/937487705.db2.gz CBIOSKWSUCZZGG-UHFFFAOYSA-N 1 1 268.335 3.165 20 30 CGEDMO C#CCOCC[N@@H+]1CCC[C@H]1c1cccc(C)c1C ZINC001459527334 937490181 /nfs/dbraw/zinc/49/01/81/937490181.db2.gz LWQOCPORJPWPJL-KRWDZBQOSA-N 1 1 257.377 3.090 20 30 CGEDMO C=CCC[NH+]1CCN([C@@H](CC)c2ccccc2)CC1 ZINC001459578532 937492803 /nfs/dbraw/zinc/49/28/03/937492803.db2.gz LORSERCZTYOBQL-KRWDZBQOSA-N 1 1 258.409 3.331 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)CCCNC(=O)OC(C)(C)C ZINC001459608955 937493294 /nfs/dbraw/zinc/49/32/94/937493294.db2.gz MMDHDBWAKAIVCK-UHFFFAOYSA-N 1 1 297.443 3.163 20 30 CGEDMO COCC#CC[N@H+]1CCC[C@@H]1CCC1CCCCC1 ZINC001459768803 937499399 /nfs/dbraw/zinc/49/93/99/937499399.db2.gz KTKBGAWPHAEINY-QGZVFWFLSA-N 1 1 263.425 3.461 20 30 CGEDMO CC[C@@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)[C@@H]1C ZINC001459982861 937509299 /nfs/dbraw/zinc/50/92/99/937509299.db2.gz JFFWBLDMEFAXJJ-HUUCEWRRSA-N 1 1 264.413 3.207 20 30 CGEDMO CC(C)(C)[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccn2)C1 ZINC001460018402 937510881 /nfs/dbraw/zinc/51/08/81/937510881.db2.gz CYNPBYNZZFUNPH-CQSZACIVSA-N 1 1 257.381 3.211 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc([Si](C)(C)C)cc1 ZINC001460213866 937520600 /nfs/dbraw/zinc/52/06/00/937520600.db2.gz REPGKLVJHQORGA-CQSZACIVSA-N 1 1 260.457 3.014 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCN(C)[C@H](C(C)(C)C)C1 ZINC001460326553 937526658 /nfs/dbraw/zinc/52/66/58/937526658.db2.gz BJZJRFHHXIHVQJ-SFHVURJKSA-N 1 1 299.462 3.337 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN1CC[N@@H+](C)[C@H](C(C)(C)C)C1 ZINC001460326553 937526661 /nfs/dbraw/zinc/52/66/61/937526661.db2.gz BJZJRFHHXIHVQJ-SFHVURJKSA-N 1 1 299.462 3.337 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN1CC[N@H+](C)[C@H](C(C)(C)C)C1 ZINC001460326553 937526663 /nfs/dbraw/zinc/52/66/63/937526663.db2.gz BJZJRFHHXIHVQJ-SFHVURJKSA-N 1 1 299.462 3.337 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC001460670248 937539676 /nfs/dbraw/zinc/53/96/76/937539676.db2.gz LHMIHCPCCOFIBH-STQMWFEESA-N 1 1 253.386 3.005 20 30 CGEDMO C=CCCCC[N@@H+](CC(C)C)CC(C)(C)C(=O)OC ZINC001460694742 937540473 /nfs/dbraw/zinc/54/04/73/937540473.db2.gz IUPLFKLSJOSXEV-UHFFFAOYSA-N 1 1 269.429 3.500 20 30 CGEDMO C#CC[C@H]1CC[N@H+](CCSc2cccc(OC)c2)C1 ZINC001460763375 937544404 /nfs/dbraw/zinc/54/44/04/937544404.db2.gz YOSYEZXOHHIHRX-AWEZNQCLSA-N 1 1 275.417 3.133 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccc(-c3cc(C#N)ccn3)cc2)C1 ZINC001139402787 931951871 /nfs/dbraw/zinc/95/18/71/931951871.db2.gz XNSRISRTSSOUPS-AWEZNQCLSA-N 1 1 277.371 3.462 20 30 CGEDMO Cc1ccc(C[N@@H+](C)Cc2c[nH]c3ccc(C#N)cc23)cn1 ZINC001140116857 931955869 /nfs/dbraw/zinc/95/58/69/931955869.db2.gz IEVFAWBSYHXVFQ-UHFFFAOYSA-N 1 1 290.370 3.375 20 30 CGEDMO C[N@@H+](CCc1cccnc1)Cc1cc(C#N)ccc1Cl ZINC001140601286 931958705 /nfs/dbraw/zinc/95/87/05/931958705.db2.gz LRCPIEZIRVRIJD-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO N#Cc1ccc(Cl)c(C[N@H+]2CC[C@]3(C2)CCCOC3)c1 ZINC001140602559 931959092 /nfs/dbraw/zinc/95/90/92/931959092.db2.gz MUFYTYYPKXYDNY-INIZCTEOSA-N 1 1 290.794 3.214 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](CF)C2)c1Cl ZINC001140809880 931964352 /nfs/dbraw/zinc/96/43/52/931964352.db2.gz LIKPLZALPOGCIR-NSHDSACASA-N 1 1 266.747 3.393 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)C1CCC(C)(C)CC1 ZINC001157177057 931979683 /nfs/dbraw/zinc/97/96/83/931979683.db2.gz JDNPXXIXQDODHN-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CC[N@H+](CCCCCCNC(=O)OC(C)(C)C)C(C)C ZINC001460815832 937546836 /nfs/dbraw/zinc/54/68/36/937546836.db2.gz MJJHTTATRIYWAI-UHFFFAOYSA-N 1 1 296.455 3.415 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCO[C@@H](c2ccccc2)CC1 ZINC001460950748 937555556 /nfs/dbraw/zinc/55/55/56/937555556.db2.gz QVBXCFFPNLYZMZ-GDBMZVCRSA-N 1 1 258.365 3.142 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)c1cccc(F)c1Cl ZINC001329558419 932006796 /nfs/dbraw/zinc/00/67/96/932006796.db2.gz GNZZFQMXDPMZJI-NSHDSACASA-N 1 1 298.789 3.105 20 30 CGEDMO C=C(C)CCC(=O)N1CCC([C@@H]2CCC[N@@H+]2CC)CC1 ZINC001230572747 932592109 /nfs/dbraw/zinc/59/21/09/932592109.db2.gz SSNFPTCNPCTOFU-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC1CCCC1 ZINC001230662607 932605623 /nfs/dbraw/zinc/60/56/23/932605623.db2.gz AMPJBFBONBFOGW-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccoc1C ZINC001230703747 932611484 /nfs/dbraw/zinc/61/14/84/932611484.db2.gz ZPWPAZPEWUKJSJ-DZGCQCFKSA-N 1 1 290.407 3.089 20 30 CGEDMO C=C(C)[C@H]1CC=C(C)[C@H](Oc2[nH+][nH]cc3nncc2-3)C1 ZINC001230897153 932637219 /nfs/dbraw/zinc/63/72/19/932637219.db2.gz ZOAWYZASYZZTHU-SMDDNHRTSA-N 1 1 270.336 3.033 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CCC[N@@H+](CCC2CC2)[C@H]1C ZINC001332197067 932735083 /nfs/dbraw/zinc/73/50/83/932735083.db2.gz AAUMDPYRWMXSKT-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C[C@H](C)CCCCC ZINC001316603802 932746206 /nfs/dbraw/zinc/74/62/06/932746206.db2.gz RALIBGWDUCZDJA-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H](C)CCCCC ZINC001316603802 932746212 /nfs/dbraw/zinc/74/62/12/932746212.db2.gz RALIBGWDUCZDJA-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@H](CC)C(C)(C)C ZINC001316606480 932747142 /nfs/dbraw/zinc/74/71/42/932747142.db2.gz OIXHOGGJSAQCLG-JKSUJKDBSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@]1(C)C=CCC1 ZINC001317174609 932784508 /nfs/dbraw/zinc/78/45/08/932784508.db2.gz USKTXVBROWZIBA-WMZOPIPTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(C)o2)C1 ZINC001491907695 932797115 /nfs/dbraw/zinc/79/71/15/932797115.db2.gz UDJYVTOYAJINQW-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC[N@H+](C)Cc1cccc(C)c1 ZINC001492370218 932814580 /nfs/dbraw/zinc/81/45/80/932814580.db2.gz QZWPNLVVINTTHQ-UHFFFAOYSA-N 1 1 288.435 3.145 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCNC(=O)[C@@H]1CCC=CCCC1 ZINC001316830230 932823375 /nfs/dbraw/zinc/82/33/75/932823375.db2.gz GEKHJKJIXZCDFA-OAHLLOKOSA-N 1 1 298.858 3.314 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCNC(=O)[C@@H]1CCC=CCCC1 ZINC001316830230 932823378 /nfs/dbraw/zinc/82/33/78/932823378.db2.gz GEKHJKJIXZCDFA-OAHLLOKOSA-N 1 1 298.858 3.314 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)C2CC=CC2)C1 ZINC001317370123 932855745 /nfs/dbraw/zinc/85/57/45/932855745.db2.gz JNLSOPYKVPSEQF-NVXWUHKLSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C1CC(C)(C(=O)NCCC[N@H+](C)CC2=CCCCC2)C1 ZINC001316847183 932868014 /nfs/dbraw/zinc/86/80/14/932868014.db2.gz JBEUASCLGSKLPC-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)c1occc1Cl ZINC001316846584 932868098 /nfs/dbraw/zinc/86/80/98/932868098.db2.gz LRTWVNCXDJLQKE-LBPRGKRZSA-N 1 1 298.814 3.339 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2(CC=C)CCCC2)[C@H]1CC ZINC001316740912 932880819 /nfs/dbraw/zinc/88/08/19/932880819.db2.gz CILAFZHPPGVFFG-JKSUJKDBSA-N 1 1 290.451 3.278 20 30 CGEDMO COC[C@@H](C[N@@H+](CCC#N)CC(C)(C)C)C(C)C ZINC001307485498 932960025 /nfs/dbraw/zinc/96/00/25/932960025.db2.gz INQZHJWMAPQBDH-CQSZACIVSA-N 1 1 254.418 3.167 20 30 CGEDMO CCC#C[C@@H](C)[N@H+](CC)CC(=O)Nc1c(C)cccc1C ZINC001307535979 932967450 /nfs/dbraw/zinc/96/74/50/932967450.db2.gz PRWZBIVFLUQNOM-MRXNPFEDSA-N 1 1 286.419 3.366 20 30 CGEDMO CCC#C[C@@H](C)[N@@H+](CC)CC(=O)Nc1c(C)cccc1C ZINC001307535979 932967454 /nfs/dbraw/zinc/96/74/54/932967454.db2.gz PRWZBIVFLUQNOM-MRXNPFEDSA-N 1 1 286.419 3.366 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001307597627 932974868 /nfs/dbraw/zinc/97/48/68/932974868.db2.gz PFTHJJUTPOBKBO-HONMWMINSA-N 1 1 262.303 3.206 20 30 CGEDMO N#CC1(C[C@H](O)C[N@H+]2CC[C@@H](C3CCCCC3)C2)CCC1 ZINC001307910985 933018518 /nfs/dbraw/zinc/01/85/18/933018518.db2.gz PFJVWQMBBRELQE-SJORKVTESA-N 1 1 290.451 3.333 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CCCN(C)C(=O)OC(C)(C)C)C1 ZINC001307961302 933027712 /nfs/dbraw/zinc/02/77/12/933027712.db2.gz IOMUEZLITPCTNN-AWEZNQCLSA-N 1 1 282.428 3.141 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC001307973203 933028931 /nfs/dbraw/zinc/02/89/31/933028931.db2.gz YFVBBFMTJIOUML-CALCHBBNSA-N 1 1 294.439 3.141 20 30 CGEDMO CC(C)(C[N@H+]1CCC[C@](C)(C#N)C1)Oc1ccccc1 ZINC001308634995 933147058 /nfs/dbraw/zinc/14/70/58/933147058.db2.gz LSGQQSCIDGWCGU-QGZVFWFLSA-N 1 1 272.392 3.470 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2cccc3c2NCCC3)C1 ZINC001308880148 933196531 /nfs/dbraw/zinc/19/65/31/933196531.db2.gz HJIQWKHPUDNPOX-AWEZNQCLSA-N 1 1 256.393 3.443 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(CC(F)(F)F)cc1)C1CSC1 ZINC001308909027 933201639 /nfs/dbraw/zinc/20/16/39/933201639.db2.gz MTVSAKXNIQNRGT-UHFFFAOYSA-N 1 1 299.361 3.342 20 30 CGEDMO C#CC[N@H+](Cc1ccc(CC(F)(F)F)cc1)C1CSC1 ZINC001308909027 933201643 /nfs/dbraw/zinc/20/16/43/933201643.db2.gz MTVSAKXNIQNRGT-UHFFFAOYSA-N 1 1 299.361 3.342 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001317475626 933212111 /nfs/dbraw/zinc/21/21/11/933212111.db2.gz NWLBORYCZPUXMD-MWDXBVQZSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)/C(C)=C\CC)C1 ZINC001316939450 933460674 /nfs/dbraw/zinc/46/06/74/933460674.db2.gz JQRYPAUKZHRGEF-KCKALFRLSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C=C(C)C)C1 ZINC001317100943 933472576 /nfs/dbraw/zinc/47/25/76/933472576.db2.gz NBJZCCXWJSVPFD-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)CCC)[C@H]1CC ZINC001316729219 933477160 /nfs/dbraw/zinc/47/71/60/933477160.db2.gz DRAWXTGFBUAJDZ-HRCADAONSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[C@@H](C)SC ZINC001316803602 933479731 /nfs/dbraw/zinc/47/97/31/933479731.db2.gz RMYVEZWCVXPQDD-CABCVRRESA-N 1 1 298.496 3.017 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)c2oc(C)cc2C)[C@H]1C ZINC001316779394 933480876 /nfs/dbraw/zinc/48/08/76/933480876.db2.gz ICCSTVHJKIQUPE-CABCVRRESA-N 1 1 290.407 3.055 20 30 CGEDMO C#CCC[N@H+](C)CCCNC(=O)C[C@H](C)C1CCCCC1 ZINC001316854656 933488513 /nfs/dbraw/zinc/48/85/13/933488513.db2.gz SFZSAAOOOJOUTF-INIZCTEOSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCC[N@@H+](CC)CCCNC(=O)C(C)=C1CCCC1 ZINC001316887170 933489325 /nfs/dbraw/zinc/48/93/25/933489325.db2.gz MRWUYDQFAIFRSM-UHFFFAOYSA-N 1 1 278.440 3.281 20 30 CGEDMO CC#CC[N@H+](CC)CCCNC(=O)[C@H]1CCC[C@H]1CCC ZINC001316896938 933491577 /nfs/dbraw/zinc/49/15/77/933491577.db2.gz VUKMMWKRBNBQNV-SJORKVTESA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)CC(C)C)C1 ZINC001316938735 933499392 /nfs/dbraw/zinc/49/93/92/933499392.db2.gz XVMIWIYPYIPQAD-MRXNPFEDSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)c2cocc2C)C1 ZINC001316948332 933500423 /nfs/dbraw/zinc/50/04/23/933500423.db2.gz UKSHGSKPGZPCPK-GJZGRUSLSA-N 1 1 290.407 3.137 20 30 CGEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)C[C@H](C)CCCCCC)C1 ZINC001316955469 933502548 /nfs/dbraw/zinc/50/25/48/933502548.db2.gz RXCKVDHQHAECIJ-IAGOWNOFSA-N 1 1 292.467 3.197 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](C)CCCCCC)C1 ZINC001316955469 933502553 /nfs/dbraw/zinc/50/25/53/933502553.db2.gz RXCKVDHQHAECIJ-IAGOWNOFSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)c2ccsc2)C1 ZINC001316985042 933506045 /nfs/dbraw/zinc/50/60/45/933506045.db2.gz CKEVXWOSIMDNHJ-DZGCQCFKSA-N 1 1 292.448 3.008 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@](C)(CC)CCC)C1 ZINC001317144382 933539805 /nfs/dbraw/zinc/53/98/05/933539805.db2.gz SIGXBVNUYZWMTR-AEFFLSMTSA-N 1 1 292.467 3.054 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)/C=C(/C)CC ZINC001317211654 933554837 /nfs/dbraw/zinc/55/48/37/933554837.db2.gz OIAQODJUAVYHRL-MKLSTALXSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)C=C(C)C)C1 ZINC001317376026 933578223 /nfs/dbraw/zinc/57/82/23/933578223.db2.gz PUJIKDKSLIIBTR-CVEARBPZSA-N 1 1 278.440 3.230 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CCNC(=O)C1CC2(CC2)C1)C1CC1 ZINC001317556300 933620416 /nfs/dbraw/zinc/62/04/16/933620416.db2.gz BXYHWSCCOIQQOL-AWEZNQCLSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)C[C@H](C)CC)C1 ZINC001317782735 933649504 /nfs/dbraw/zinc/64/95/04/933649504.db2.gz QQYAKWDFPBFOMQ-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H](C[N@H+](C)CCC(C)C)C1 ZINC001317849764 933658545 /nfs/dbraw/zinc/65/85/45/933658545.db2.gz ZGNGLOIKRDYGOE-MRXNPFEDSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)C(C)C)C1 ZINC001317851777 933659704 /nfs/dbraw/zinc/65/97/04/933659704.db2.gz AMYCNPBPDXGGSX-HOTGVXAUSA-N 1 1 280.456 3.025 20 30 CGEDMO C=CCCC(=O)N1CCC(C[N@@H+](C)CC2CCCC2)CC1 ZINC001317868165 933661232 /nfs/dbraw/zinc/66/12/32/933661232.db2.gz ANCUKIQASWQDLK-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C#CCCCC(=O)N[C@H]1CCC[N@H+](CC/C=C\CCC)C1 ZINC001317969427 933668817 /nfs/dbraw/zinc/66/88/17/933668817.db2.gz XHRUNAOKBVQHOC-QWPQOLDESA-N 1 1 290.451 3.117 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)CCCC[C@H](C)CC)C1 ZINC001317970921 933669522 /nfs/dbraw/zinc/66/95/22/933669522.db2.gz QMKFVAFGWFVLRJ-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@@H+](Cn1nc(C)nc1-c1ccccc1)C(C)C ZINC001318211917 933696126 /nfs/dbraw/zinc/69/61/26/933696126.db2.gz LWRKMQSRLSNWJH-UHFFFAOYSA-N 1 1 270.380 3.107 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N(C)[C@@H]1CC[N@@H+](CCCCCF)C1 ZINC001318430345 933724671 /nfs/dbraw/zinc/72/46/71/933724671.db2.gz ZHAQNURMCFKMQU-NVXWUHKLSA-N 1 1 298.446 3.261 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](CC)CCCCC)C1 ZINC001318445092 933726998 /nfs/dbraw/zinc/72/69/98/933726998.db2.gz JNROTXGFBKAJSL-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)CCCc1ccsc1 ZINC001467727241 937721563 /nfs/dbraw/zinc/72/15/63/937721563.db2.gz BMMMITCQUSPHAI-UHFFFAOYSA-N 1 1 294.464 3.037 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1OC(C)C)CC1CC1 ZINC001319551845 933892349 /nfs/dbraw/zinc/89/23/49/933892349.db2.gz LVAIGKWFWYRSID-UHFFFAOYSA-N 1 1 257.377 3.319 20 30 CGEDMO Cc1cc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)[nH]n1 ZINC001319688977 933914143 /nfs/dbraw/zinc/91/41/43/933914143.db2.gz OIBMZTUSGRKYIG-UHFFFAOYSA-N 1 1 282.391 3.248 20 30 CGEDMO C#CC[N@@H+](Cc1cccc2c[nH]nc21)C1CCCCC1 ZINC001319815082 933937024 /nfs/dbraw/zinc/93/70/24/933937024.db2.gz ASQNJZXDFUVBTL-UHFFFAOYSA-N 1 1 267.376 3.331 20 30 CGEDMO C=CCCC(=O)N(C)CC[N@@H+](C)Cc1ccc(Cl)cc1 ZINC001319982054 933970850 /nfs/dbraw/zinc/97/08/50/933970850.db2.gz YZWCOOGDQPOWBN-UHFFFAOYSA-N 1 1 294.826 3.196 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)C1CCCCCC1 ZINC001319982075 933972526 /nfs/dbraw/zinc/97/25/26/933972526.db2.gz ZHKFJKQNKLXLNR-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=C[C@@H](CC(=O)Nc1cc(C)[nH+]c(C)c1)c1ccccc1 ZINC001320269094 934023338 /nfs/dbraw/zinc/02/33/38/934023338.db2.gz RDNTXACKLCFJCV-HNNXBMFYSA-N 1 1 280.371 3.419 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccc(OC(C)C)cc2)C1 ZINC001320376954 934039314 /nfs/dbraw/zinc/03/93/14/934039314.db2.gz IKZWMLMUQAGDSY-KRWDZBQOSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](C[C@H](CC)c2ccccc2)C1 ZINC001320378843 934039428 /nfs/dbraw/zinc/03/94/28/934039428.db2.gz LBNZRVRSVFEFCE-DOTOQJQBSA-N 1 1 259.393 3.457 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+]([C@H](CCOC)c2ccccc2)C1 ZINC001320899655 934119207 /nfs/dbraw/zinc/11/92/07/934119207.db2.gz UFHMYXOFKIEGON-IAGOWNOFSA-N 1 1 275.392 3.041 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccc(OCC)c(F)c2)C1 ZINC001320915243 934122903 /nfs/dbraw/zinc/12/29/03/934122903.db2.gz BQHHUMGAXGDLEH-AWEZNQCLSA-N 1 1 279.355 3.001 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cnc(CC(C)C)s2)C1 ZINC001320968418 934130790 /nfs/dbraw/zinc/13/07/90/934130790.db2.gz ZXGPTHNMAYRKGH-ZDUSSCGKSA-N 1 1 280.437 3.119 20 30 CGEDMO C=CCCCC(=O)N[C@H](C)C[N@@H+](C)CC1CCCCC1 ZINC001322230857 934261552 /nfs/dbraw/zinc/26/15/52/934261552.db2.gz OJEYURWVDJOQSP-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H](C)C[N@H+](C)CCCCCC)C1 ZINC001322243002 934262533 /nfs/dbraw/zinc/26/25/33/934262533.db2.gz APZJTWHLPOUKCN-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)c1c(C)cccc1C ZINC001322248968 934262674 /nfs/dbraw/zinc/26/26/74/934262674.db2.gz MODGORLMEATQNJ-MRXNPFEDSA-N 1 1 288.435 3.320 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)c1ccsc1Cl ZINC001322259464 934265163 /nfs/dbraw/zinc/26/51/63/934265163.db2.gz XKRMPXQJTAZBTL-JTQLQIEISA-N 1 1 286.828 3.028 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)c1cc(C)c(CC)s1 ZINC001322294019 934274101 /nfs/dbraw/zinc/27/41/01/934274101.db2.gz RJASUTWQEWRDJV-CYBMUJFWSA-N 1 1 294.464 3.245 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1C[C@H]2CCCC[C@@]21c1ccccc1 ZINC001322744248 934333635 /nfs/dbraw/zinc/33/36/35/934333635.db2.gz CPPQHSXKVHWQNA-KBAYOESNSA-N 1 1 284.403 3.316 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)C=C(CC)CC ZINC001323215745 934372681 /nfs/dbraw/zinc/37/26/81/934372681.db2.gz ZOPINWDSMYNIMX-ZBFHGGJFSA-N 1 1 278.440 3.278 20 30 CGEDMO CC[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(F)cc1 ZINC001323714296 934420263 /nfs/dbraw/zinc/42/02/63/934420263.db2.gz AFEJTJDQQKQERS-WFASDCNBSA-N 1 1 259.328 3.310 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC001324199160 934470740 /nfs/dbraw/zinc/47/07/40/934470740.db2.gz CMPHGNCIBUMENO-CQSZACIVSA-N 1 1 269.747 3.256 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cc(F)cc(Cl)c2)C1 ZINC001324199160 934470744 /nfs/dbraw/zinc/47/07/44/934470744.db2.gz CMPHGNCIBUMENO-CQSZACIVSA-N 1 1 269.747 3.256 20 30 CGEDMO C#CCCCC(=O)N[C@]1(C)CC[N@H+](CCCC(C)(C)C)C1 ZINC001324608823 934531542 /nfs/dbraw/zinc/53/15/42/934531542.db2.gz RQYIXTWUORAAIZ-GOSISDBHSA-N 1 1 292.467 3.197 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@](C)(NC(=O)C[C@@H](C)CC(C)(C)C)C1 ZINC001324647817 934539182 /nfs/dbraw/zinc/53/91/82/934539182.db2.gz RFOANOHYKBNJMJ-CRAIPNDOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](C)c2ccsc2)C1 ZINC001324646114 934539836 /nfs/dbraw/zinc/53/98/36/934539836.db2.gz GVGNKDXDWGRSDO-BBRMVZONSA-N 1 1 292.448 3.008 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H](CCC)C(C)C)C1 ZINC001324655495 934541325 /nfs/dbraw/zinc/54/13/25/934541325.db2.gz FJMKCFKBKHTRFR-NVXWUHKLSA-N 1 1 280.456 3.215 20 30 CGEDMO CCCCCCCC(=O)N1CC[N@H+](C2CC2)C[C@H]1C ZINC001472581173 937778138 /nfs/dbraw/zinc/77/81/38/937778138.db2.gz LZIQMWPONAMIEC-CQSZACIVSA-N 1 1 266.429 3.042 20 30 CGEDMO Cc1c(Cl)cnc(NCCC[N@H+](C)CC(C)C)c1C#N ZINC001472823600 937785757 /nfs/dbraw/zinc/78/57/57/937785757.db2.gz FWYYWIPTPJOBNM-UHFFFAOYSA-N 1 1 294.830 3.305 20 30 CGEDMO CCC#C[C@@H](C)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001473193122 937796313 /nfs/dbraw/zinc/79/63/13/937796313.db2.gz LLKCABVOPZYZRS-IEBWSBKVSA-N 1 1 284.447 3.242 20 30 CGEDMO CCC#C[C@@H](C)[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC001473193122 937796321 /nfs/dbraw/zinc/79/63/21/937796321.db2.gz LLKCABVOPZYZRS-IEBWSBKVSA-N 1 1 284.447 3.242 20 30 CGEDMO CCC#C[C@@H](C)[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC001473193122 937796322 /nfs/dbraw/zinc/79/63/22/937796322.db2.gz LLKCABVOPZYZRS-IEBWSBKVSA-N 1 1 284.447 3.242 20 30 CGEDMO C=CC[C@H]([NH2+][C@@H]1CCC[C@@H](C(C)C)C1)C(=O)OCC ZINC001324976471 934879065 /nfs/dbraw/zinc/87/90/65/934879065.db2.gz REJXMBJMHCDHQU-KFWWJZLASA-N 1 1 267.413 3.299 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=C)C)C2 ZINC001325338938 934905820 /nfs/dbraw/zinc/90/58/20/934905820.db2.gz GTCPYQSTTAZAMF-JYJNAYRXSA-N 1 1 290.451 3.134 20 30 CGEDMO N#Cc1ccnc(C[N@H+]2CCC[C@@H]2CC2CCCC2)c1 ZINC001473595722 937812844 /nfs/dbraw/zinc/81/28/44/937812844.db2.gz LTQOOXWFFGJMTM-QGZVFWFLSA-N 1 1 269.392 3.498 20 30 CGEDMO C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)[C@H](C)CC)C[C@H]2C1 ZINC001325766798 934928880 /nfs/dbraw/zinc/92/88/80/934928880.db2.gz QTRLGYWWTVLPLW-TWMKSMIVSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C/C=C(/C)C=C ZINC001325899072 934938387 /nfs/dbraw/zinc/93/83/87/934938387.db2.gz NXSGAFIPCWJIMY-DKJKAOOUSA-N 1 1 288.435 3.150 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC(C)(C)CC ZINC001325897860 934938528 /nfs/dbraw/zinc/93/85/28/934938528.db2.gz GTSXBAZRNIVMJF-JKSUJKDBSA-N 1 1 292.467 3.454 20 30 CGEDMO C#C[C@@H](Nc1cc(CC)[nH+]c(C)n1)c1ccccc1 ZINC001325974974 934941283 /nfs/dbraw/zinc/94/12/83/934941283.db2.gz FTTOVTBIAMKWRW-OAHLLOKOSA-N 1 1 251.333 3.134 20 30 CGEDMO C#C[C@H](Nc1cc(CC)[nH+]c(C)n1)c1ccccc1 ZINC001325974973 934941967 /nfs/dbraw/zinc/94/19/67/934941967.db2.gz FTTOVTBIAMKWRW-HNNXBMFYSA-N 1 1 251.333 3.134 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC001473719695 937818526 /nfs/dbraw/zinc/81/85/26/937818526.db2.gz MXTLMEYNDCIHDD-BBRMVZONSA-N 1 1 272.392 3.377 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC001473719696 937818934 /nfs/dbraw/zinc/81/89/34/937818934.db2.gz MXTLMEYNDCIHDD-CJNGLKHVSA-N 1 1 272.392 3.377 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)/C(C)=C\C)CC1 ZINC001327112673 935030903 /nfs/dbraw/zinc/03/09/03/935030903.db2.gz JWKWNVPFISQNNN-VFPQPWSNSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC001327225970 935045437 /nfs/dbraw/zinc/04/54/37/935045437.db2.gz USRRJYOSVNYYCT-IKGGRYGDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C1CCC(C(=O)N(C)CCC[N@H+](C)CC[C@H](C)F)CC1 ZINC001327257388 935048290 /nfs/dbraw/zinc/04/82/90/935048290.db2.gz FGILHGCCTMGYOB-HNNXBMFYSA-N 1 1 298.446 3.261 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CC12CCCC2 ZINC001327277528 935050745 /nfs/dbraw/zinc/05/07/45/935050745.db2.gz SJRHXAIBAYBRAQ-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C=C(CC)CC)C2 ZINC001327527149 935066456 /nfs/dbraw/zinc/06/64/56/935066456.db2.gz QKONTOOJGINSIP-SFHVURJKSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CC[N@H+](CC(C)C)[C@H](C)C1 ZINC001328253639 935126930 /nfs/dbraw/zinc/12/69/30/935126930.db2.gz BWUWRMZGDVGVJQ-WBVHZDCISA-N 1 1 292.467 3.380 20 30 CGEDMO C=C/C(C)=C\CC(=O)N[C@@H]1CC[N@H+](CC(=C)Cl)[C@H](C)C1 ZINC001328269447 935126953 /nfs/dbraw/zinc/12/69/53/935126953.db2.gz XWTGXAIEFOXOOY-SYGOVTOWSA-N 1 1 296.842 3.230 20 30 CGEDMO C=C/C(C)=C\CC(=O)N[C@@H]1CC[N@@H+](CC(=C)Cl)[C@H](C)C1 ZINC001328269447 935126954 /nfs/dbraw/zinc/12/69/54/935126954.db2.gz XWTGXAIEFOXOOY-SYGOVTOWSA-N 1 1 296.842 3.230 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC(=C)C)[C@H](C)C1 ZINC001328281677 935127890 /nfs/dbraw/zinc/12/78/90/935127890.db2.gz XGLZLCJDTPWFHK-CABCVRRESA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[N@H+](CCC(C)C)[C@@H](C)C1 ZINC001328278908 935128228 /nfs/dbraw/zinc/12/82/28/935128228.db2.gz KVMCXJWIHWBCRO-JKSUJKDBSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C)C(C)(C)C ZINC001328732508 935164218 /nfs/dbraw/zinc/16/42/18/935164218.db2.gz GVVNGPBAWLGQLN-CABCVRRESA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)CC[N@H+]1CCCCC[C@@H]1CNC(=O)C1(C)CC1 ZINC001329924948 935254862 /nfs/dbraw/zinc/25/48/62/935254862.db2.gz YGUYIERGFPVZII-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC(CC=C)C(=O)NC[C@@H]1CCCCC[N@@H+]1CC ZINC001329923590 935255068 /nfs/dbraw/zinc/25/50/68/935255068.db2.gz MPMXETBFYSSGQM-INIZCTEOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)CC(C)(C)CC)C(C)(C)C1 ZINC001330204845 935276815 /nfs/dbraw/zinc/27/68/15/935276815.db2.gz WTKWYCHSSNUYIE-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO CS[C@H]1CC[C@@H]([N@@H+](C)CCc2ccc(C#N)cc2)C1 ZINC001330547515 935294272 /nfs/dbraw/zinc/29/42/72/935294272.db2.gz PPTIHZAZKWMRHO-CVEARBPZSA-N 1 1 274.433 3.317 20 30 CGEDMO C=CCO[C@H]1CCN(c2cc(C(F)(F)F)cc(C)[nH+]2)C1 ZINC001330651188 935307399 /nfs/dbraw/zinc/30/73/99/935307399.db2.gz CWIHTVAIQKLLBM-LBPRGKRZSA-N 1 1 286.297 3.190 20 30 CGEDMO Cc1cc([C@@H](C)[NH2+]Cc2cccc(C#N)n2)c(C)o1 ZINC001331711896 935404932 /nfs/dbraw/zinc/40/49/32/935404932.db2.gz KSPCOYPBDNEVRY-LLVKDONJSA-N 1 1 255.321 3.014 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cc3c(cccc3O)s2)C1 ZINC001331992467 935432176 /nfs/dbraw/zinc/43/21/76/935432176.db2.gz ADEQICFFSYMBCJ-GFCCVEGCSA-N 1 1 289.400 3.384 20 30 CGEDMO C=CCCC(=O)N[C@@]12CCC[C@H]1[N@@H+](CCCCC)CC2 ZINC001332081972 935438655 /nfs/dbraw/zinc/43/86/55/935438655.db2.gz MZZZCBSGKVHMLI-NVXWUHKLSA-N 1 1 278.440 3.256 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)C/C=C(/C)C=C)CCC[C@H]12 ZINC001332098658 935439457 /nfs/dbraw/zinc/43/94/57/935439457.db2.gz FNSIQZZFRGPMKV-BPCJTMIDSA-N 1 1 288.435 3.198 20 30 CGEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)CCCCCC)CCC[C@H]12 ZINC001332115994 935441094 /nfs/dbraw/zinc/44/10/94/935441094.db2.gz GCNRCZBVMMHGPP-WMZOPIPTSA-N 1 1 290.451 3.093 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H](NC(=O)C(F)F)[C@@H]1C ZINC001332163430 935445440 /nfs/dbraw/zinc/44/54/40/935445440.db2.gz ZNYKESPUSGADBI-QWHCGFSZSA-N 1 1 290.398 3.191 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CCC(C)C)[C@@H]1C ZINC001332199302 935448783 /nfs/dbraw/zinc/44/87/83/935448783.db2.gz OGLVUGSTKHGFFL-HUUCEWRRSA-N 1 1 280.456 3.214 20 30 CGEDMO C=C[C@@H](C)O[NH+]=Cc1sc(N2CCCCC2)nc1C ZINC001332538622 935476153 /nfs/dbraw/zinc/47/61/53/935476153.db2.gz QNGZJHANKVGBKI-LLVKDONJSA-N 1 1 279.409 3.367 20 30 CGEDMO C=C(C)CCC(=O)N(CC[N@@H+](C)CC1CCC1)C(C)C ZINC001332707636 935482963 /nfs/dbraw/zinc/48/29/63/935482963.db2.gz OFEYPYKAMKRONB-UHFFFAOYSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CC[N@H+](C)CCN(C(=O)[C@@H](C)[C@H](C)C(C)(C)C)C(C)C ZINC001332735874 935486332 /nfs/dbraw/zinc/48/63/32/935486332.db2.gz SMZWUVAXKFLKKC-HOTGVXAUSA-N 1 1 294.483 3.107 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@H](C)C2CCC2)CC1 ZINC001333355163 935528855 /nfs/dbraw/zinc/52/88/55/935528855.db2.gz YBHNWMKWPVCYDW-OAHLLOKOSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)[C@]2(C)CC=C(C)CC2)CC1 ZINC001333456961 935537171 /nfs/dbraw/zinc/53/71/71/935537171.db2.gz HCANICKTSUHVQR-GOSISDBHSA-N 1 1 288.435 3.057 20 30 CGEDMO C=CCC[C@H]([NH2+]C[C@@H]1CCCN(CC)C1)C1CC1 ZINC001334869287 936119844 /nfs/dbraw/zinc/11/98/44/936119844.db2.gz WTVTXXVVOWENJZ-HOCLYGCPSA-N 1 1 250.430 3.053 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccccc2SC)C1 ZINC001337651078 936277385 /nfs/dbraw/zinc/27/73/85/936277385.db2.gz UQENBJAXTBHJTE-CQSZACIVSA-N 1 1 263.406 3.185 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]2CC[C@@]21CNC(=O)OC(C)(C)C ZINC001473835479 937824076 /nfs/dbraw/zinc/82/40/76/937824076.db2.gz IXJNGEXADJGXDU-RHSMWYFYSA-N 1 1 294.439 3.332 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc(C)c(C2OCCO2)cc1C ZINC001474445650 937860363 /nfs/dbraw/zinc/86/03/63/937860363.db2.gz ICRXUZACVRNBGY-UHFFFAOYSA-N 1 1 275.392 3.357 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001474646212 937872681 /nfs/dbraw/zinc/87/26/81/937872681.db2.gz DBKYMRQZZWJWDV-JTQLQIEISA-N 1 1 253.292 3.068 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001474646212 937872682 /nfs/dbraw/zinc/87/26/82/937872682.db2.gz DBKYMRQZZWJWDV-JTQLQIEISA-N 1 1 253.292 3.068 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001474646212 937872683 /nfs/dbraw/zinc/87/26/83/937872683.db2.gz DBKYMRQZZWJWDV-JTQLQIEISA-N 1 1 253.292 3.068 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC001479092037 937915815 /nfs/dbraw/zinc/91/58/15/937915815.db2.gz FESVRUFIVQNVPD-OAHLLOKOSA-N 1 1 295.471 3.010 20 30 CGEDMO CCCCCCCCCN(C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC001479378604 937920411 /nfs/dbraw/zinc/92/04/11/937920411.db2.gz ZETLYVXYRMROPW-CVEARBPZSA-N 1 1 297.487 3.471 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CC=CCC2)[C@H]1C ZINC001479707269 937923955 /nfs/dbraw/zinc/92/39/55/937923955.db2.gz TYNUQDXZGDGMPO-SOLBZPMBSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)C2CCC2)CC(C)(C)C1 ZINC001479742375 937924661 /nfs/dbraw/zinc/92/46/61/937924661.db2.gz AOVJNHRILUPNSK-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)/C(C)=C\CC ZINC001479733328 937925046 /nfs/dbraw/zinc/92/50/46/937925046.db2.gz OMBFFGZJYCYOGQ-ODDCISTRSA-N 1 1 298.858 3.408 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@@H]1CCCCN1C(=O)/C(C)=C\CC ZINC001479733328 937925048 /nfs/dbraw/zinc/92/50/48/937925048.db2.gz OMBFFGZJYCYOGQ-ODDCISTRSA-N 1 1 298.858 3.408 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC001479852684 937927200 /nfs/dbraw/zinc/92/72/00/937927200.db2.gz OZDGYIREHZUDGQ-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H](CCCC)C(C)C)C1 ZINC001479914959 937929069 /nfs/dbraw/zinc/92/90/69/937929069.db2.gz BJGPFTBBRDNUKN-DLBZAZTESA-N 1 1 292.467 3.053 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)CCCCCC)C1 ZINC001479968120 937930140 /nfs/dbraw/zinc/93/01/40/937930140.db2.gz CUPMSEDMEQVVMP-DLBZAZTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)C(C)(C)C ZINC001480392601 937938243 /nfs/dbraw/zinc/93/82/43/937938243.db2.gz KQPCCLSEVJWOFO-ZVDSWSACSA-N 1 1 292.467 3.070 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@H](C)[NH2+]C/C(Cl)=C/Cl ZINC001480523167 937939661 /nfs/dbraw/zinc/93/96/61/937939661.db2.gz XIXHFFIOSMGMEP-URRBYVIQSA-N 1 1 293.238 3.002 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)C=C)C1 ZINC001480730823 937942437 /nfs/dbraw/zinc/94/24/37/937942437.db2.gz QAGQYJHOXLODJK-HNNXBMFYSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)CCC(C)C)C1 ZINC001480716776 937942740 /nfs/dbraw/zinc/94/27/40/937942740.db2.gz OPBUIALSAUXNTP-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1c(C)coc1C ZINC001480821929 937944972 /nfs/dbraw/zinc/94/49/72/937944972.db2.gz HZNXIJFURIDSDT-HNNXBMFYSA-N 1 1 290.407 3.057 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)c1ccc(F)cc1C ZINC001493049698 937946549 /nfs/dbraw/zinc/94/65/49/937946549.db2.gz SQXFPUVVISBCSM-UHFFFAOYSA-N 1 1 292.398 3.152 20 30 CGEDMO C=CC[N@@H+](CC)CCNC(=O)c1ccc(CC(C)C)cc1 ZINC001493057208 937946576 /nfs/dbraw/zinc/94/65/76/937946576.db2.gz OFFCPWVWULDNEE-UHFFFAOYSA-N 1 1 288.435 3.123 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@H]1CC[N@@H+](CCCC(C)C)C1 ZINC001493232476 937948407 /nfs/dbraw/zinc/94/84/07/937948407.db2.gz FFULMXYFUUABFT-AEFFLSMTSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H](CC)CCC)C1 ZINC001494066184 937953263 /nfs/dbraw/zinc/95/32/63/937953263.db2.gz JARWXRJCXMCZJH-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(CC(C)C)CCCC1 ZINC001494677664 937955644 /nfs/dbraw/zinc/95/56/44/937955644.db2.gz ANNOEIYMDZZFRJ-HOTGVXAUSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(CC(C)C)CCCC1 ZINC001494677664 937955645 /nfs/dbraw/zinc/95/56/45/937955645.db2.gz ANNOEIYMDZZFRJ-HOTGVXAUSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@](C)(F)CCCC)C1 ZINC001494834646 937956777 /nfs/dbraw/zinc/95/67/77/937956777.db2.gz QWJNFNFKFAIZFY-ZBFHGGJFSA-N 1 1 284.419 3.014 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)C[C@H](CC)CCCC)C1 ZINC001494904158 937957146 /nfs/dbraw/zinc/95/71/46/937957146.db2.gz CQNGGEXXXCHOFV-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)C[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CC2(C)C)CC1 ZINC001496499125 937962854 /nfs/dbraw/zinc/96/28/54/937962854.db2.gz UTPDTUMMMHZSPD-INIZCTEOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)C[C@@H]1C=CCCC1 ZINC001496726691 937963890 /nfs/dbraw/zinc/96/38/90/937963890.db2.gz SFOVRNWUJZNNSO-MRXNPFEDSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CC2CCC2)C1 ZINC001496865210 937964444 /nfs/dbraw/zinc/96/44/44/937964444.db2.gz WHXKTSDMSBRREG-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)/C=C/C(C)(C)C)CC[C@@H]21 ZINC001496860044 937964506 /nfs/dbraw/zinc/96/45/06/937964506.db2.gz SMQHTZSEYWSYOB-ZHANPKHBSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCCC(=O)N[C@H](C)C[N@@H+](C)[C@H](C)c1cccc(C)c1 ZINC001498239175 937968606 /nfs/dbraw/zinc/96/86/06/937968606.db2.gz LDFQHNXTZRDRSY-HZPDHXFCSA-N 1 1 288.435 3.459 20 30 CGEDMO CC#CCCCC(=O)N[C@@H](C)C[N@@H+](C)CCC(C)(C)C ZINC001498361984 937969096 /nfs/dbraw/zinc/96/90/96/937969096.db2.gz JNETUQBIBAJEDR-HNNXBMFYSA-N 1 1 280.456 3.053 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H](C)C[N@@H+](C)CCC(C)(C)C ZINC001498375186 937969288 /nfs/dbraw/zinc/96/92/88/937969288.db2.gz KGSGDJKQUMXHNV-PBHICJAKSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CCC1(C(=O)N[C@H](C)C[N@H+](C)C[C@@H](F)CC)CCCC1 ZINC001498468619 937969835 /nfs/dbraw/zinc/96/98/35/937969835.db2.gz DMRUKDCPZNKYEV-CABCVRRESA-N 1 1 298.446 3.308 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)c1cc(C)c(F)c(C)c1 ZINC001498461204 937969860 /nfs/dbraw/zinc/96/98/60/937969860.db2.gz QLPCXKZNTGYIEM-CQSZACIVSA-N 1 1 292.398 3.069 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)C1(C)CCCC1 ZINC001499030270 937971955 /nfs/dbraw/zinc/97/19/55/937971955.db2.gz MJXYALUJRIKPKU-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C(C)(CC)CC ZINC001499123912 937972838 /nfs/dbraw/zinc/97/28/38/937972838.db2.gz FQFWFQUMPHHQPN-HUUCEWRRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)CCC(=O)N1CCCC[C@H]1[C@H]1CC[N@H+](CCC)C1 ZINC001499479995 937973514 /nfs/dbraw/zinc/97/35/14/937973514.db2.gz BNAUFSIVUVNPAZ-IRXDYDNUSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[C@]2(CC[N@@H+](CC(=C)C)C2)C1 ZINC001499614876 937973890 /nfs/dbraw/zinc/97/38/90/937973890.db2.gz VAIWRDOHPBOXMY-AEFFLSMTSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCCC(=O)N[C@@]1(C)CC[N@H+](CC/C=C/CCC)C1 ZINC001500192210 937976289 /nfs/dbraw/zinc/97/62/89/937976289.db2.gz ZTWICBJCQWINJZ-IJDCCNJMSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)CCC2CC2)C1 ZINC001500200157 937976424 /nfs/dbraw/zinc/97/64/24/937976424.db2.gz MDTNRMTWNBSBSI-PBHICJAKSA-N 1 1 278.440 3.112 20 30 CGEDMO CC#CC[N@@H+]1CC[C@](C)(NC(=O)CCCCCCCC)C1 ZINC001500282189 937976660 /nfs/dbraw/zinc/97/66/60/937976660.db2.gz SWDGESCHHKEPAW-SFHVURJKSA-N 1 1 292.467 3.341 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@]1(C)CCC[N@H+](C[C@H](F)CC)C1 ZINC001500497869 937977806 /nfs/dbraw/zinc/97/78/06/937977806.db2.gz BTRPZQSXEGYRNX-NVXWUHKLSA-N 1 1 298.446 3.309 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC(C)(C)CC ZINC001501386663 937979513 /nfs/dbraw/zinc/97/95/13/937979513.db2.gz LYLHCYFEZGSKRZ-JKSUJKDBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)CCC ZINC001501382273 937979654 /nfs/dbraw/zinc/97/96/54/937979654.db2.gz NIAKLOFCLVGZKY-BZUAXINKSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CCC[N@@H+](CC(=C)Cl)CC1 ZINC001502138789 937981571 /nfs/dbraw/zinc/98/15/71/937981571.db2.gz XKJGKMMZYHIUPU-AWEZNQCLSA-N 1 1 298.858 3.312 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)CCCCC(C)C)C[C@@H]1C ZINC001503003932 937983907 /nfs/dbraw/zinc/98/39/07/937983907.db2.gz URVKWZUQYXDARX-DLBZAZTESA-N 1 1 292.467 3.195 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2(CC)CCC2)C[C@@H]1C ZINC001502967028 937984005 /nfs/dbraw/zinc/98/40/05/937984005.db2.gz GVVDYSRPHZIASJ-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)C(=C)C)C[C@H]1C ZINC001502967933 937984076 /nfs/dbraw/zinc/98/40/76/937984076.db2.gz KPZPKTKWUDPFMV-ZIAGYGMSSA-N 1 1 298.858 3.310 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C(=C)C)C[C@H]1C ZINC001502967933 937984077 /nfs/dbraw/zinc/98/40/77/937984077.db2.gz KPZPKTKWUDPFMV-ZIAGYGMSSA-N 1 1 298.858 3.310 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)C1(C)CCCCCC1 ZINC001505433697 937985514 /nfs/dbraw/zinc/98/55/14/937985514.db2.gz CQVPRTPKGSBFGX-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)c1ccc(C)o1 ZINC001506017864 937988731 /nfs/dbraw/zinc/98/87/31/937988731.db2.gz SJJPHFSDFXLPGW-HIFRSBDPSA-N 1 1 292.423 3.094 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H](NC(=O)[C@H]2C[C@@H]2C)C(C)(C)C1 ZINC001506742583 937991563 /nfs/dbraw/zinc/99/15/63/937991563.db2.gz CCCZGXCRZHRLBB-JYJNAYRXSA-N 1 1 294.483 3.439 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)CC3(C)CC3)CCC[C@H]12 ZINC001507358906 937995179 /nfs/dbraw/zinc/99/51/79/937995179.db2.gz UGTYNEKFEFBTPN-MAUKXSAKSA-N 1 1 290.451 3.256 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)CCC(C)C)CCC[C@@H]12 ZINC001507336302 937995387 /nfs/dbraw/zinc/99/53/87/937995387.db2.gz RCLMQPWVJOSKHU-WBVHZDCISA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)c2ccoc2C)[C@H]1C ZINC001507368581 937995479 /nfs/dbraw/zinc/99/54/79/937995479.db2.gz MTRSQNVCSVFGIA-CJNGLKHVSA-N 1 1 290.407 3.137 20 30 CGEDMO C#CC[N@H+](C)CCN(C(=O)[C@H]1CCC[C@H]1CCC)C(C)C ZINC001507812972 937996807 /nfs/dbraw/zinc/99/68/07/937996807.db2.gz JHRFBOCKJVCVKF-SJORKVTESA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C(=O)[C@H]1[C@@H]2CCC[C@@H]21)C(C)C ZINC001507777251 937997026 /nfs/dbraw/zinc/99/70/26/937997026.db2.gz HZFCQOJUUPOTGT-FVQHAEBGSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)C1CC(C(C)(C)C)C1)C(C)C ZINC001507862530 937997088 /nfs/dbraw/zinc/99/70/88/937997088.db2.gz UTEDNAOQDPOMEL-UHFFFAOYSA-N 1 1 294.483 3.414 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(C2(NC(=O)[C@H](C)CC)CC2)CC1 ZINC001508156957 937998374 /nfs/dbraw/zinc/99/83/74/937998374.db2.gz OUIHFMOXSXQBPO-GFCCVEGCSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(C2(NC(=O)CC(C)C)CC2)CC1 ZINC001508157633 937998528 /nfs/dbraw/zinc/99/85/28/937998528.db2.gz WQZKDLBSKRUQFA-UHFFFAOYSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)C[C@H](C)C2CC2)CC1 ZINC001508228090 937998670 /nfs/dbraw/zinc/99/86/70/937998670.db2.gz CAKJHSVQOXOFRL-HNNXBMFYSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)[C@@]2(C)CCC[C@H]2C)CC1 ZINC001508222659 937998782 /nfs/dbraw/zinc/99/87/82/937998782.db2.gz ZVGZNXXCBCKUDG-QAPCUYQASA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CC[C@H](C)OC(=O)c1cnn(-c2cc[nH+]cc2)c1C ZINC001515492695 938006245 /nfs/dbraw/zinc/00/62/45/938006245.db2.gz BLCCTJDRUBHCGC-ZDUSSCGKSA-N 1 1 299.374 3.477 20 30 CGEDMO C=CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001532545299 938087016 /nfs/dbraw/zinc/08/70/16/938087016.db2.gz MLHBBTYTQWNJSP-MRXNPFEDSA-N 1 1 272.392 3.078 20 30 CGEDMO CCCCCCC[C@@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001544952854 938147966 /nfs/dbraw/zinc/14/79/66/938147966.db2.gz HZTLVNFBUWBPLA-CVEARBPZSA-N 1 1 282.472 3.441 20 30 CGEDMO C=C1CCC(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001558259674 938214308 /nfs/dbraw/zinc/21/43/08/938214308.db2.gz CKDCDEVJNKGOSN-QGZVFWFLSA-N 1 1 286.419 3.152 20 30 CGEDMO CC[N@H+]1CC[C@@H](N(C)c2cc(C)cc(F)c2C#N)[C@H](C)C1 ZINC001559113744 938220569 /nfs/dbraw/zinc/22/05/69/938220569.db2.gz VPSSFDGYIXAHAK-CZUORRHYSA-N 1 1 289.398 3.172 20 30 CGEDMO C=CC[N@H+](CC1CCCCC1)[C@@H](C)c1nnc(CC)[nH]1 ZINC001559538262 938228860 /nfs/dbraw/zinc/22/88/60/938228860.db2.gz UBQXOANZFTWFAL-ZDUSSCGKSA-N 1 1 276.428 3.496 20 30 CGEDMO C=CC[N@@H+](CC1CCCCC1)[C@@H](C)c1nnc(CC)[nH]1 ZINC001559538262 938228861 /nfs/dbraw/zinc/22/88/61/938228861.db2.gz UBQXOANZFTWFAL-ZDUSSCGKSA-N 1 1 276.428 3.496 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@]1(CO)CCC ZINC001559800501 938235993 /nfs/dbraw/zinc/23/59/93/938235993.db2.gz BZCIISYBJGBVMN-INIZCTEOSA-N 1 1 251.414 3.197 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001559940863 938239790 /nfs/dbraw/zinc/23/97/90/938239790.db2.gz DNTYWSUOELVXLN-RDBSUJKOSA-N 1 1 267.413 3.251 20 30 CGEDMO C#CCC[N@@H+](CCOC)CCSc1ccc(Cl)cc1 ZINC001560023946 938241898 /nfs/dbraw/zinc/24/18/98/938241898.db2.gz RVFAEZANEVHJRO-UHFFFAOYSA-N 1 1 297.851 3.404 20 30 CGEDMO C[N@@H+](CCCOc1cccc(C#N)c1)C[C@@H]1CC1(C)C ZINC001560028847 938242306 /nfs/dbraw/zinc/24/23/06/938242306.db2.gz FYTBVVUOIOXKNJ-HNNXBMFYSA-N 1 1 272.392 3.305 20 30 CGEDMO CO[C@@H]1CC[C@@H](C)[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001560063894 938242888 /nfs/dbraw/zinc/24/28/88/938242888.db2.gz LJXIAAGKDLTXRZ-CZUORRHYSA-N 1 1 277.795 3.191 20 30 CGEDMO C[C@@H]1CN(CC2CCC(C#N)CC2)CC[N@H+]1C1CCCC1 ZINC001560145467 938245251 /nfs/dbraw/zinc/24/52/51/938245251.db2.gz KUCXIYDXDPLNCO-KLAILNCOSA-N 1 1 289.467 3.265 20 30 CGEDMO C[C@@H]1C[N@H+](CC2CCC(C#N)CC2)CCN1C1CCCC1 ZINC001560145467 938245252 /nfs/dbraw/zinc/24/52/52/938245252.db2.gz KUCXIYDXDPLNCO-KLAILNCOSA-N 1 1 289.467 3.265 20 30 CGEDMO C[C@@H]1C[N@@H+](CC2CCC(C#N)CC2)CCN1C1CCCC1 ZINC001560145467 938245253 /nfs/dbraw/zinc/24/52/53/938245253.db2.gz KUCXIYDXDPLNCO-KLAILNCOSA-N 1 1 289.467 3.265 20 30 CGEDMO C#CC[N@@H+](Cc1cccc(OC)c1Cl)C(C)C ZINC001560164761 938245697 /nfs/dbraw/zinc/24/56/97/938245697.db2.gz LPOHHCBEHCKGBB-UHFFFAOYSA-N 1 1 251.757 3.192 20 30 CGEDMO C#CC[N@H+](Cc1cccc(OC)c1Cl)C(C)C ZINC001560164761 938245698 /nfs/dbraw/zinc/24/56/98/938245698.db2.gz LPOHHCBEHCKGBB-UHFFFAOYSA-N 1 1 251.757 3.192 20 30 CGEDMO C#CC[N@@H+](Cc1cc(Br)cs1)C(C)C ZINC001560164993 938245884 /nfs/dbraw/zinc/24/58/84/938245884.db2.gz XPNVAIIGOVBGTP-UHFFFAOYSA-N 1 1 272.211 3.354 20 30 CGEDMO C[C@@]12CSC[C@@H]1C[N@@H+](Cc1cc(Cl)cc(C#N)c1)C2 ZINC001560205565 938246923 /nfs/dbraw/zinc/24/69/23/938246923.db2.gz XVVFIIJWCROSIS-DZGCQCFKSA-N 1 1 292.835 3.397 20 30 CGEDMO C[N@@H+](Cc1cc2cccnc2o1)Cc1cccc(C#N)c1 ZINC001560717720 938272318 /nfs/dbraw/zinc/27/23/18/938272318.db2.gz VZECMCGUZQZESF-UHFFFAOYSA-N 1 1 277.327 3.331 20 30 CGEDMO C#Cc1ccc(C[N@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)cc1 ZINC001560841121 938278587 /nfs/dbraw/zinc/27/85/87/938278587.db2.gz JNNNLDXKWVOHFY-MSOLQXFVSA-N 1 1 251.373 3.288 20 30 CGEDMO C[C@@H]1CCC[C@H](C)C[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC001307480027 957724695 /nfs/dbraw/zinc/72/46/95/957724695.db2.gz SZEUHPZLEDSGRD-QWHCGFSZSA-N 1 1 287.363 3.477 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CNC(=O)[C@H](C)CCC)CC1 ZINC001571684091 960468034 /nfs/dbraw/zinc/46/80/34/960468034.db2.gz XRIIKQOIAQWWSC-OAHLLOKOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)CC[N@@H+](CCCNC(=O)C1=CCCC1)C1CC1 ZINC001566584964 960563625 /nfs/dbraw/zinc/56/36/25/960563625.db2.gz WCVROWILAUEPNM-UHFFFAOYSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@@H]1CCC[N@@H+](CCC(=C)C)C1 ZINC001566877283 960577546 /nfs/dbraw/zinc/57/75/46/960577546.db2.gz UHKOXAWBLZATRS-IRXDYDNUSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N(C)[C@@H]1CC[N@H+](CCCCC)C1 ZINC001567920241 960603203 /nfs/dbraw/zinc/60/32/03/960603203.db2.gz ABBKEMHNGAPEIX-NVXWUHKLSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(CC)CC ZINC001565834308 960841270 /nfs/dbraw/zinc/84/12/70/960841270.db2.gz YLDPEFQJDZJZJR-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](C)CCC)[C@H]1CC ZINC001566009637 960862952 /nfs/dbraw/zinc/86/29/52/960862952.db2.gz SAOPRAQURHRGSQ-KWCYVHTRSA-N 1 1 286.847 3.144 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)CCC)[C@H]1CC ZINC001566009637 960862968 /nfs/dbraw/zinc/86/29/68/960862968.db2.gz SAOPRAQURHRGSQ-KWCYVHTRSA-N 1 1 286.847 3.144 20 30 CGEDMO CC#CC[N@H+]1CC[C@H](NC(=O)C[C@@H](C)CC(C)(C)C)[C@H]1C ZINC001566104011 960880397 /nfs/dbraw/zinc/88/03/97/960880397.db2.gz HTQJAFXZVSCDFD-OAGGEKHMSA-N 1 1 292.467 3.051 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@H+](CC/C=C\CC)[C@@H]1C ZINC001566090596 960883770 /nfs/dbraw/zinc/88/37/70/960883770.db2.gz TVPPPAQSTKXEIS-UWUBPMADSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)/C=C(\C)C2CC2)CC(C)(C)C1 ZINC001566128581 960888245 /nfs/dbraw/zinc/88/82/45/960888245.db2.gz WFRZJKHWNGFWOA-UKYUDJEDSA-N 1 1 290.451 3.136 20 30 CGEDMO C#CCCCC(=O)N1CCCC[C@H]1C[N@H+](C)C[C@@H](C)CC ZINC001566119545 960891640 /nfs/dbraw/zinc/89/16/40/960891640.db2.gz LEAAICCCJHLSAD-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)[C@@H](C)C(C)(C)C ZINC001566555274 960953301 /nfs/dbraw/zinc/95/33/01/960953301.db2.gz UGLRLXOSFLKKER-CQSZACIVSA-N 1 1 268.445 3.073 20 30 CGEDMO C=CC[N@@H+](CC)CCCNC(=O)C1(C)C(C)(C)C1(C)C ZINC001566577136 960960150 /nfs/dbraw/zinc/96/01/50/960960150.db2.gz NSZCUKFYQKTQIV-UHFFFAOYSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)CC(C)C)C1 ZINC001566677159 960982706 /nfs/dbraw/zinc/98/27/06/960982706.db2.gz DWPOYHDDLPXDHV-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[N@H+](CCCCC)C2)CCC1 ZINC001566673123 960985138 /nfs/dbraw/zinc/98/51/38/960985138.db2.gz ZDFBNZBAXIFYQM-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)[C@H](C)C(C)C)C1 ZINC001566675131 960987582 /nfs/dbraw/zinc/98/75/82/960987582.db2.gz NVTNAGNVCDXJHF-CVEARBPZSA-N 1 1 282.472 3.439 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H](NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001566682027 960988399 /nfs/dbraw/zinc/98/83/99/960988399.db2.gz MKMAEWKSZXZDMO-SFHVURJKSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC[C@@H](C[N@@H+](C)C(C)C)C1 ZINC001566741693 960994403 /nfs/dbraw/zinc/99/44/03/960994403.db2.gz HXIXKARONURSKU-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO CCCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C#CC(C)C)C1 ZINC001566736226 960994982 /nfs/dbraw/zinc/99/49/82/960994982.db2.gz RNMZOYBNQYLOSU-KRWDZBQOSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H](C[N@H+](C)CC[C@@H](C)F)C1 ZINC001566741634 960996780 /nfs/dbraw/zinc/99/67/80/960996780.db2.gz HEDASHVBQSYOBM-CVEARBPZSA-N 1 1 298.446 3.261 20 30 CGEDMO C=CC(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=C)C ZINC001566820562 961023789 /nfs/dbraw/zinc/02/37/89/961023789.db2.gz VDINXHSZKZKSMY-MQVJKMGUSA-N 1 1 290.451 3.276 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC001566963262 961069797 /nfs/dbraw/zinc/06/97/97/961069797.db2.gz RVULMFHFAYRHDW-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)c2cc(C)cs2)C1 ZINC001567192323 961132758 /nfs/dbraw/zinc/13/27/58/961132758.db2.gz XJFYBNDEXWKBOD-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001567201827 961143854 /nfs/dbraw/zinc/14/38/54/961143854.db2.gz JAUBXNXHRZNILE-CVEARBPZSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]1CCCNC(=O)C(C)(C)C ZINC001567266167 961154844 /nfs/dbraw/zinc/15/48/44/961154844.db2.gz IURWLYAASUQNEA-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]1CCCNC(=O)C(C)(C)C ZINC001567266168 961157994 /nfs/dbraw/zinc/15/79/94/961157994.db2.gz IURWLYAASUQNEA-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CCC(=O)NCC[N@H+](C)Cc1ccc(Cl)cc1 ZINC001567284432 961258939 /nfs/dbraw/zinc/25/89/39/961258939.db2.gz ICFHDFRXOIDFTA-UHFFFAOYSA-N 1 1 294.826 3.244 20 30 CGEDMO C=CCCC(=O)NCC[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001567274028 961266125 /nfs/dbraw/zinc/26/61/25/961266125.db2.gz RGCONOBTKHPADC-ZDUSSCGKSA-N 1 1 294.826 3.415 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCNC(=O)c1ccc(Cl)c(F)c1 ZINC001567305903 961278749 /nfs/dbraw/zinc/27/87/49/961278749.db2.gz SAYGPNILQIZRIM-UHFFFAOYSA-N 1 1 298.789 3.107 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)c1cc(C)oc1C ZINC001567326511 961280155 /nfs/dbraw/zinc/28/01/55/961280155.db2.gz LTAGFBKWWTXMCL-ZDUSSCGKSA-N 1 1 292.423 3.303 20 30 CGEDMO CC#CC[N@@H+](CC)CCNC(=O)[C@@H](C)CC1CCCCC1 ZINC001567347297 961297777 /nfs/dbraw/zinc/29/77/77/961297777.db2.gz XMYAUAMELWZIIK-INIZCTEOSA-N 1 1 292.467 3.054 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)c1ccsc1 ZINC001567379097 961315225 /nfs/dbraw/zinc/31/52/25/961315225.db2.gz NZMMTNLTTCHXBO-DZGCQCFKSA-N 1 1 292.448 3.008 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](CNC(=O)/C=C/C(C)(C)C)C1 ZINC001567395410 961317559 /nfs/dbraw/zinc/31/75/59/961317559.db2.gz JEIIJNHWDQAXMS-HLZWWYGYSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCCC[N@H+](CCNC(=O)c1occc1Cl)C1CC1 ZINC001567449343 961348994 /nfs/dbraw/zinc/34/89/94/961348994.db2.gz UTJUCEMKMLIUDG-UHFFFAOYSA-N 1 1 296.798 3.093 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)c1occc1C(C)C)C1CC1 ZINC001567449115 961350681 /nfs/dbraw/zinc/35/06/81/961350681.db2.gz YMJQDEJJRUFDML-UHFFFAOYSA-N 1 1 290.407 3.173 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)/C=C/C(C)(C)C)C1 ZINC001567695432 961406243 /nfs/dbraw/zinc/40/62/43/961406243.db2.gz BJXHRVNZPOWLOO-LHRNQBEKSA-N 1 1 298.858 3.169 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCN(C(=O)C2(CCC)CC2)C1 ZINC001567737011 961415731 /nfs/dbraw/zinc/41/57/31/961415731.db2.gz QWROPNHOTREDFX-CQSZACIVSA-N 1 1 298.858 3.100 20 30 CGEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001567776635 961422825 /nfs/dbraw/zinc/42/28/25/961422825.db2.gz HIMHRRDKJPZUSE-HOTGVXAUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)CCCCC ZINC001567866100 961444070 /nfs/dbraw/zinc/44/40/70/961444070.db2.gz GXXGBYRGCRMNLE-ULQDDVLXSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC(CC=C)C(=O)N(C)[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001567911215 961452111 /nfs/dbraw/zinc/45/21/11/961452111.db2.gz LVRCRNDFQDUVLE-QGZVFWFLSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)c2oc(C)cc2C)C1 ZINC001567908453 961455437 /nfs/dbraw/zinc/45/54/37/961455437.db2.gz LPTLOGYRCFXHJI-OAHLLOKOSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001567876862 961456648 /nfs/dbraw/zinc/45/66/48/961456648.db2.gz SNSXLNDOWOJLHG-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC1(C(=O)N(C)[C@@H]2CC[N@H+](CCC(C)C)C2)CCC1 ZINC001567920473 961462356 /nfs/dbraw/zinc/46/23/56/961462356.db2.gz FKCXZBHWIZWOTO-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO CC#CCCCC(=O)N(CC)[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC001567940338 961464158 /nfs/dbraw/zinc/46/41/58/961464158.db2.gz FAKUXTHFDJTYQQ-KRWDZBQOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC(C)(C)C(=O)N(C)[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001567918618 961466825 /nfs/dbraw/zinc/46/68/25/961466825.db2.gz MAOSXMUWVSWUCL-MRXNPFEDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCCC(=O)N(C)[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001567921513 961466947 /nfs/dbraw/zinc/46/69/47/961466947.db2.gz ZNVIXUQOMKWJAO-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)C=C2CCCCC2)C1 ZINC001567932307 961468258 /nfs/dbraw/zinc/46/82/58/961468258.db2.gz OHLAAEZEYMYIQD-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H](C)C[NH2+]C/C(Cl)=C\Cl ZINC001569075871 961679003 /nfs/dbraw/zinc/67/90/03/961679003.db2.gz HXASJFZJCUOEJV-QHABWNLFSA-N 1 1 293.238 3.002 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)CC1CCC(C)CC1 ZINC001569133781 961694731 /nfs/dbraw/zinc/69/47/31/961694731.db2.gz WHXABCQOWMAISV-PCKAHOCUSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)CC1CC(C)(C)C1 ZINC001569134766 961694977 /nfs/dbraw/zinc/69/49/77/961694977.db2.gz KKKCJRKDFQEJFN-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@H](C)NC(=O)C1(C)CC=CC1 ZINC001569136397 961695995 /nfs/dbraw/zinc/69/59/95/961695995.db2.gz QYGJCBPOJFYNEM-GJZGRUSLSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CC[N@H+](C)C[C@H](C)NC(=O)c1ccc(CC(C)C)s1 ZINC001569121236 961699720 /nfs/dbraw/zinc/69/97/20/961699720.db2.gz CXOHKWJVUABRJR-ZDUSSCGKSA-N 1 1 294.464 3.183 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CNC(=O)CC1(C)CCCC1 ZINC001569355453 961739420 /nfs/dbraw/zinc/73/94/20/961739420.db2.gz KHQWCWMBPVQEML-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)c1ccc(Cl)o1 ZINC001569347298 961741728 /nfs/dbraw/zinc/74/17/28/961741728.db2.gz YUXCGXPHKZFNNG-NWDGAFQWSA-N 1 1 296.798 3.092 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)C[C@@H](CC)C(C)(C)C ZINC001569380993 961751298 /nfs/dbraw/zinc/75/12/98/961751298.db2.gz ZHOFIWYPWICQAS-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)CCCCC)C2)C1 ZINC001569464827 961773191 /nfs/dbraw/zinc/77/31/91/961773191.db2.gz VHHQNSOHRDKLTK-SFHVURJKSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)C3(CC)CC3)C2)C1 ZINC001569478451 961783182 /nfs/dbraw/zinc/78/31/82/961783182.db2.gz JNSIYEVVYVVSDY-KRWDZBQOSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](C)C2CC2)C1 ZINC001569633166 961808421 /nfs/dbraw/zinc/80/84/21/961808421.db2.gz HIYXBEFBNMCDHP-YJBOKZPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC23CC3)C1 ZINC001569647368 961811672 /nfs/dbraw/zinc/81/16/72/961811672.db2.gz DWEWSUALQWTWKL-NVXWUHKLSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](C)C(CC)CC)C1 ZINC001569642768 961813990 /nfs/dbraw/zinc/81/39/90/961813990.db2.gz KVHAPDZTMBOETL-RHSMWYFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)CCC2CCCC2)C1 ZINC001569628918 961815145 /nfs/dbraw/zinc/81/51/45/961815145.db2.gz XWBUAXHYSOAFHP-KRWDZBQOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@]1(C)CCC[N@@H+](CC(=C)C)C1 ZINC001569719208 961827537 /nfs/dbraw/zinc/82/75/37/961827537.db2.gz JRQRZPMCRDEKCR-ZWKOTPCHSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)C[C@H](C=C)CC)C1 ZINC001569719870 961839578 /nfs/dbraw/zinc/83/95/78/961839578.db2.gz OZWNDJDDPOHSGN-AEFFLSMTSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@]2(C)C=CCC2)C1 ZINC001569720375 961841656 /nfs/dbraw/zinc/84/16/56/961841656.db2.gz OYDVTWJERCWOEC-QZTJIDSGSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C)CCC)[C@@H]2C1 ZINC001569918715 961873043 /nfs/dbraw/zinc/87/30/43/961873043.db2.gz RPGBYONVPAAXPO-YESZJQIVSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CCCCCC)[C@@H]2C1 ZINC001569921208 961875687 /nfs/dbraw/zinc/87/56/87/961875687.db2.gz FQJNEUOWMRUIOU-DLBZAZTESA-N 1 1 292.467 3.456 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)CCCCC(C)C)CC1 ZINC001570185178 961929828 /nfs/dbraw/zinc/92/98/28/961929828.db2.gz GKTDQACSQDABOC-QGZVFWFLSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)CCC)C(C)(C)C1 ZINC001570391263 961960459 /nfs/dbraw/zinc/96/04/59/961960459.db2.gz IWHLYAISUGXFTQ-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO CC#CCCCC(=O)N[C@H]1CC[N@H+](CCCCC)[C@H](C)C1 ZINC001570441635 961970226 /nfs/dbraw/zinc/97/02/26/961970226.db2.gz WQVRIEHUEMJGQE-SJORKVTESA-N 1 1 292.467 3.339 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@H]2C[N@H+](C)C[C@@H](F)CC)C1 ZINC001570541182 961983126 /nfs/dbraw/zinc/98/31/26/961983126.db2.gz ZDXZWMBRZHBXFG-GJZGRUSLSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCC1(C(=O)N2CCC[C@@H]2C[N@@H+](C)CCCF)CCC1 ZINC001570540197 961989925 /nfs/dbraw/zinc/98/99/25/961989925.db2.gz LVZBRURRLQKMIF-OAHLLOKOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC12CC2 ZINC001570534243 961991167 /nfs/dbraw/zinc/99/11/67/961991167.db2.gz FRWAUEBIWKNONA-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)c1cc2ccccc2[nH]1 ZINC001570749903 962079017 /nfs/dbraw/zinc/07/90/17/962079017.db2.gz GASQSNUZMYVEPI-AWEZNQCLSA-N 1 1 299.418 3.184 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C=C(C)C)C[C@@H]2C1 ZINC001571007264 962107494 /nfs/dbraw/zinc/10/74/94/962107494.db2.gz CQJMAECPJVVGHU-BBWFWOEESA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC2(C1)CCC[N@H+](CCCC)C2 ZINC001571043972 962119063 /nfs/dbraw/zinc/11/90/63/962119063.db2.gz PZLKUJJHXUDPFF-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C2(CCF)CC2)[C@@H]1C ZINC001571520771 962171059 /nfs/dbraw/zinc/17/10/59/962171059.db2.gz JYBYKVLNPDINNV-LSDHHAIUSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)CC(C)(C)C=C)[C@H]1C ZINC001571519604 962172719 /nfs/dbraw/zinc/17/27/19/962172719.db2.gz USQBKKVABVIYAM-CABCVRRESA-N 1 1 278.440 3.134 20 30 CGEDMO C#CCC[N@H+](C)CCN(C(=O)C[C@H]1CC[C@H](C)C1)C(C)C ZINC001571614017 962189507 /nfs/dbraw/zinc/18/95/07/962189507.db2.gz RJRIUNNZHZXJAH-IRXDYDNUSA-N 1 1 292.467 3.005 20 30 CGEDMO CC#CC[N@H+](C)CCN(C(=O)C[C@H](CC)C(C)C)C(C)C ZINC001571615955 962198023 /nfs/dbraw/zinc/19/80/23/962198023.db2.gz LJICFICMVTZCAH-KRWDZBQOSA-N 1 1 294.483 3.251 20 30 CGEDMO C[C@@H]1C[C@@H](OC(=O)[C@H]([NH3+])CCCCC#N)CC(C)(C)C1 ZINC001579467075 962628765 /nfs/dbraw/zinc/62/87/65/962628765.db2.gz FBUGTOKKAJTBQH-MGPQQGTHSA-N 1 1 280.412 3.156 20 30 CGEDMO C=CCNC(=O)C[N@@H+](CCCC)[C@H](C)c1ccc(C)o1 ZINC000621318373 349495019 /nfs/dbraw/zinc/49/50/19/349495019.db2.gz AJXOCJJPHFKGJL-CQSZACIVSA-N 1 1 278.396 3.053 20 30 CGEDMO C=CCNC(=O)C[N@H+](CCCC)[C@H](C)c1ccc(C)o1 ZINC000621318373 349495021 /nfs/dbraw/zinc/49/50/21/349495021.db2.gz AJXOCJJPHFKGJL-CQSZACIVSA-N 1 1 278.396 3.053 20 30 CGEDMO C=CC[C@@H]1CC[C@@H]([NH2+]C2CCN(C(C)C)CC2)C1 ZINC000651670594 398265722 /nfs/dbraw/zinc/26/57/22/398265722.db2.gz OAPHQDIINXMJBO-GDBMZVCRSA-N 1 1 250.430 3.194 20 30 CGEDMO Cc1ccccc1C[N@H+]1CCCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000590154550 346832848 /nfs/dbraw/zinc/83/28/48/346832848.db2.gz OIPNLVOCZYWYMN-HKUYNNGSSA-N 1 1 297.446 3.195 20 30 CGEDMO Cc1ccccc1CN1CCC[N@@H+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000590154550 346832851 /nfs/dbraw/zinc/83/28/51/346832851.db2.gz OIPNLVOCZYWYMN-HKUYNNGSSA-N 1 1 297.446 3.195 20 30 CGEDMO Cc1ccccc1CN1CCC[N@H+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000590154550 346832853 /nfs/dbraw/zinc/83/28/53/346832853.db2.gz OIPNLVOCZYWYMN-HKUYNNGSSA-N 1 1 297.446 3.195 20 30 CGEDMO C=CCOc1cccc(C[N@H+](CC)[C@@H]2CCCOC2)c1 ZINC000651947610 398310336 /nfs/dbraw/zinc/31/03/36/398310336.db2.gz OLUNJOUTWSJTDN-MRXNPFEDSA-N 1 1 275.392 3.252 20 30 CGEDMO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)c2nccn21 ZINC000590778625 346875108 /nfs/dbraw/zinc/87/51/08/346875108.db2.gz KVCPWDKFLHYFOC-QMTHXVAHSA-N 1 1 286.766 3.204 20 30 CGEDMO CC1(C)CCC[N@@H+]1CCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000590780330 346875984 /nfs/dbraw/zinc/87/59/84/346875984.db2.gz MNYCIUWUFCMFLC-SFHVURJKSA-N 1 1 297.446 3.400 20 30 CGEDMO CC1(C)CCC[N@H+]1CCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000590780330 346875985 /nfs/dbraw/zinc/87/59/85/346875985.db2.gz MNYCIUWUFCMFLC-SFHVURJKSA-N 1 1 297.446 3.400 20 30 CGEDMO C[C@@H](CCC#N)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000591015665 346894687 /nfs/dbraw/zinc/89/46/87/346894687.db2.gz WAKOACADPILGQL-DLBZAZTESA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@@H](CCC#N)[N@@H+]1CCN(Cc2ccccc2)CC[C@H]1C ZINC000591015665 346894689 /nfs/dbraw/zinc/89/46/89/346894689.db2.gz WAKOACADPILGQL-DLBZAZTESA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCN(Cc2ccccc2)CC[C@H]1C ZINC000591015665 346894692 /nfs/dbraw/zinc/89/46/92/346894692.db2.gz WAKOACADPILGQL-DLBZAZTESA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@H](CCC#N)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000591015668 346894398 /nfs/dbraw/zinc/89/43/98/346894398.db2.gz WAKOACADPILGQL-SJORKVTESA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@H](CCC#N)[N@@H+]1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000591015668 346894400 /nfs/dbraw/zinc/89/44/00/346894400.db2.gz WAKOACADPILGQL-SJORKVTESA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000591015668 346894402 /nfs/dbraw/zinc/89/44/02/346894402.db2.gz WAKOACADPILGQL-SJORKVTESA-N 1 1 285.435 3.275 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(C2CC2)CC1 ZINC000590960396 346891306 /nfs/dbraw/zinc/89/13/06/346891306.db2.gz OFNSVBOTGQTHRV-UHFFFAOYSA-N 1 1 285.347 3.088 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000591063390 346898415 /nfs/dbraw/zinc/89/84/15/346898415.db2.gz UKOBZVLHTXCXDQ-OAHLLOKOSA-N 1 1 270.376 3.189 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc(C(F)F)cc2)CCC1 ZINC000591357604 346916928 /nfs/dbraw/zinc/91/69/28/346916928.db2.gz BVFVWLRPRBEXIR-UHFFFAOYSA-N 1 1 250.292 3.408 20 30 CGEDMO CCc1ccc([C@@H](COC)[NH2+]Cc2ccc(CC#N)cc2)o1 ZINC000347640355 529711242 /nfs/dbraw/zinc/71/12/42/529711242.db2.gz TUXWATXWLDTKTI-QGZVFWFLSA-N 1 1 298.386 3.385 20 30 CGEDMO Cc1ccccc1CC[N@H+](C)Cc1ccc(C#N)o1 ZINC000295032047 199310522 /nfs/dbraw/zinc/31/05/22/199310522.db2.gz DHENQYRZCHUJKX-UHFFFAOYSA-N 1 1 254.333 3.134 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccncc2C#N)[C@@H]2CCCC[C@H]12 ZINC000592059337 346958261 /nfs/dbraw/zinc/95/82/61/346958261.db2.gz IPOJWMKDXXOOEV-KBRIMQKVSA-N 1 1 269.392 3.354 20 30 CGEDMO N#Cc1cnccc1C[NH2+][C@H](c1cccs1)C1CC1 ZINC000592095456 346962276 /nfs/dbraw/zinc/96/22/76/346962276.db2.gz XONCXMIEIUNWNQ-HNNXBMFYSA-N 1 1 269.373 3.256 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)CCC[C@@H]1CCOC1 ZINC000592072209 346960515 /nfs/dbraw/zinc/96/05/15/346960515.db2.gz ZOUPYSIPZHXTEK-OAHLLOKOSA-N 1 1 252.402 3.065 20 30 CGEDMO C[C@]1([NH2+]Cc2ccncc2C#N)CCCc2ccccc21 ZINC000592080149 346961225 /nfs/dbraw/zinc/96/12/25/346961225.db2.gz PBQNFLCOWYYWBA-SFHVURJKSA-N 1 1 277.371 3.295 20 30 CGEDMO C[C@@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150907 346966894 /nfs/dbraw/zinc/96/68/94/346966894.db2.gz JIUDGVDPEVSEOT-KSSFIOAISA-N 1 1 280.371 3.251 20 30 CGEDMO C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151837 346967679 /nfs/dbraw/zinc/96/76/79/346967679.db2.gz RSDVIQVELOOVJU-KDOFPFPSSA-N 1 1 286.419 3.396 20 30 CGEDMO CCCC[N@@H+](CCC#N)[C@H]1CCc2ncsc2C1 ZINC000592188366 346970473 /nfs/dbraw/zinc/97/04/73/346970473.db2.gz NXTHIMHQVUVTKJ-LBPRGKRZSA-N 1 1 263.410 3.016 20 30 CGEDMO C[C@H](CO)C1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000593084500 347037279 /nfs/dbraw/zinc/03/72/79/347037279.db2.gz QYMAAFQPWKEZMG-GFCCVEGCSA-N 1 1 292.810 3.052 20 30 CGEDMO C[C@@H]1C[N@H+]([C@H]2CC[C@H](C#N)C2)CCc2ccc(F)cc21 ZINC000593119174 347042291 /nfs/dbraw/zinc/04/22/91/347042291.db2.gz YHWMKDURZXTXIJ-WWGRRREGSA-N 1 1 272.367 3.480 20 30 CGEDMO N#Cc1cccc2c1C[N@H+](CC13CCC(CC1)C3)C2 ZINC000593123883 347042800 /nfs/dbraw/zinc/04/28/00/347042800.db2.gz FXFLMHRVCGKHKI-UHFFFAOYSA-N 1 1 252.361 3.454 20 30 CGEDMO N#Cc1cccc2c1C[N@@H+](CC13CCC(CC1)C3)C2 ZINC000593123883 347042805 /nfs/dbraw/zinc/04/28/05/347042805.db2.gz FXFLMHRVCGKHKI-UHFFFAOYSA-N 1 1 252.361 3.454 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1sccc1C#N)C1CCCCC1 ZINC000023218045 344897285 /nfs/dbraw/zinc/89/72/85/344897285.db2.gz FBVJJWUOIRZFAB-UHFFFAOYSA-N 1 1 291.420 3.213 20 30 CGEDMO C[C@@H]([N@@H+](C)CCC(=O)Nc1ccccc1C#N)C(C)(C)C ZINC000042763902 344987288 /nfs/dbraw/zinc/98/72/88/344987288.db2.gz DMFWOFWUHRFQSS-CYBMUJFWSA-N 1 1 287.407 3.253 20 30 CGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)CC1CCCCC1 ZINC000043999884 345005511 /nfs/dbraw/zinc/00/55/11/345005511.db2.gz GISZKQZZGORWCB-CQSZACIVSA-N 1 1 299.418 3.397 20 30 CGEDMO C=CC[N@@H+](CC(=O)N1CCCC[C@@H]1C)Cc1ccccc1 ZINC000045840798 345030831 /nfs/dbraw/zinc/03/08/31/345030831.db2.gz QDYINFRYLSLAMN-INIZCTEOSA-N 1 1 286.419 3.076 20 30 CGEDMO C=CC[N@H+](CC(=O)N1CCCC[C@@H]1C)Cc1ccccc1 ZINC000045840798 345030833 /nfs/dbraw/zinc/03/08/33/345030833.db2.gz QDYINFRYLSLAMN-INIZCTEOSA-N 1 1 286.419 3.076 20 30 CGEDMO C=CC[NH+](CC=C)CC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000045914529 345031963 /nfs/dbraw/zinc/03/19/63/345031963.db2.gz LYGGDPKHVFLYDU-AWEZNQCLSA-N 1 1 290.382 3.019 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+](CC)Cc1ccccc1C ZINC000048059214 345059860 /nfs/dbraw/zinc/05/98/60/345059860.db2.gz MEZHSTFWERABFD-UHFFFAOYSA-N 1 1 286.419 3.018 20 30 CGEDMO CCC[C@H](C)[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000048070702 345060855 /nfs/dbraw/zinc/06/08/55/345060855.db2.gz YOIHFVWNCODAGB-HNNXBMFYSA-N 1 1 287.407 3.054 20 30 CGEDMO Cc1ccsc1C[N@@H+](C)CCCSCC#N ZINC000074980688 345488757 /nfs/dbraw/zinc/48/87/57/345488757.db2.gz BRUMPXPVUFINAN-UHFFFAOYSA-N 1 1 254.424 3.135 20 30 CGEDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075021477 345490901 /nfs/dbraw/zinc/49/09/01/345490901.db2.gz JDYQQNABLKOCNL-DOMZBBRYSA-N 1 1 296.374 3.229 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCc1ccccn1 ZINC000076154395 345536742 /nfs/dbraw/zinc/53/67/42/345536742.db2.gz RJIYYXKOSDETAP-RBUKOAKNSA-N 1 1 291.398 3.396 20 30 CGEDMO C=CCCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000076734427 345548619 /nfs/dbraw/zinc/54/86/19/345548619.db2.gz ZEZLTFINBUXFJO-ZDUSSCGKSA-N 1 1 288.391 3.114 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000076734427 345548622 /nfs/dbraw/zinc/54/86/22/345548622.db2.gz ZEZLTFINBUXFJO-ZDUSSCGKSA-N 1 1 288.391 3.114 20 30 CGEDMO CC(C)[C@H]1CCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075648315 345517111 /nfs/dbraw/zinc/51/71/11/345517111.db2.gz KTUKJZMGLYRVNP-OAHLLOKOSA-N 1 1 296.374 3.229 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC1 ZINC000075674337 345518417 /nfs/dbraw/zinc/51/84/17/345518417.db2.gz DCKAWBZFBJEDGU-CYBMUJFWSA-N 1 1 296.374 3.230 20 30 CGEDMO CCC[N@H+]1CC[C@H](CNc2ccc3cc(C#N)ccc3n2)C1 ZINC000091457360 345815169 /nfs/dbraw/zinc/81/51/69/345815169.db2.gz CULKCCNQZZHXMS-OAHLLOKOSA-N 1 1 294.402 3.250 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)c1ccc(C(=O)OC)o1 ZINC000091536464 345818135 /nfs/dbraw/zinc/81/81/35/345818135.db2.gz UNMJMSMKKGVMOF-NSHDSACASA-N 1 1 251.326 3.025 20 30 CGEDMO C[C@H]1C[C@H](Nc2cnccc2C#N)C[N@H+]1Cc1ccccc1 ZINC000091739541 345822632 /nfs/dbraw/zinc/82/26/32/345822632.db2.gz AJLBJNXJPVUQTC-YOEHRIQHSA-N 1 1 292.386 3.028 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000092072457 345830502 /nfs/dbraw/zinc/83/05/02/345830502.db2.gz AYTMAKUVYLAFRD-MRXNPFEDSA-N 1 1 297.402 3.354 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000093329174 345875728 /nfs/dbraw/zinc/87/57/28/345875728.db2.gz YXLCXYFADUKWEC-GFCCVEGCSA-N 1 1 286.297 3.130 20 30 CGEDMO Cc1noc(C)c1[C@H](C)[NH2+]Cc1cccc(C#N)c1F ZINC000230616865 346321446 /nfs/dbraw/zinc/32/14/46/346321446.db2.gz MYWQNXKEPPUMIO-VIFPVBQESA-N 1 1 273.311 3.153 20 30 CGEDMO COC(=O)c1cc([C@H](C)[NH+]2CCC(C)(C#N)CC2)oc1C ZINC000293055718 346430560 /nfs/dbraw/zinc/43/05/60/346430560.db2.gz YNAQAUUQWVWVSA-NSHDSACASA-N 1 1 290.363 3.061 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCO[C@H](CCc3ccccc3)C2)C1 ZINC000278642989 346416044 /nfs/dbraw/zinc/41/60/44/346416044.db2.gz PFBLPKZGUVXJRE-KZNAEPCWSA-N 1 1 284.403 3.012 20 30 CGEDMO C[N@@H+](CCCCC(C)(C)C#N)C[C@H](O)Cc1ccccc1 ZINC000293365347 346431243 /nfs/dbraw/zinc/43/12/43/346431243.db2.gz OPEOBCCDAWLGCQ-QGZVFWFLSA-N 1 1 288.435 3.242 20 30 CGEDMO C[C@H]1C[C@H](Nc2cccc(C#N)n2)C[N@H+]1Cc1ccccc1 ZINC000339217348 215020059 /nfs/dbraw/zinc/02/00/59/215020059.db2.gz LBMBXGQREKICFQ-YOEHRIQHSA-N 1 1 292.386 3.028 20 30 CGEDMO N#CCCOCC[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000292797781 346429672 /nfs/dbraw/zinc/42/96/72/346429672.db2.gz MAZWVJVPIPJLCV-OAHLLOKOSA-N 1 1 290.432 3.031 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1cc(Br)cs1 ZINC000309584322 346469617 /nfs/dbraw/zinc/46/96/17/346469617.db2.gz UTEVFTGUKYQIEN-VIFPVBQESA-N 1 1 298.209 3.044 20 30 CGEDMO C=CC[N@@H+](Cc1ccsc1C(=O)OC)C(C)(C)C ZINC000382487933 346560236 /nfs/dbraw/zinc/56/02/36/346560236.db2.gz XLJNCPDTIXMVJC-UHFFFAOYSA-N 1 1 267.394 3.321 20 30 CGEDMO C=CC[N@H+](Cc1ccsc1C(=O)OC)C(C)(C)C ZINC000382487933 346560239 /nfs/dbraw/zinc/56/02/39/346560239.db2.gz XLJNCPDTIXMVJC-UHFFFAOYSA-N 1 1 267.394 3.321 20 30 CGEDMO CC(C)O[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000593660362 347101150 /nfs/dbraw/zinc/10/11/50/347101150.db2.gz PMWWYHXTXNMTEZ-GFCCVEGCSA-N 1 1 264.394 3.009 20 30 CGEDMO N#Cc1cccc2c1C[N@@H+](C[C@@H]1CC[C@H]3C[C@H]3C1)C2 ZINC000405051223 346601847 /nfs/dbraw/zinc/60/18/47/346601847.db2.gz BQVMJALGZINALB-DVOMOZLQSA-N 1 1 252.361 3.310 20 30 CGEDMO C[C@@H]1C[C@@H](C)CC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000119191084 370652309 /nfs/dbraw/zinc/65/23/09/370652309.db2.gz LFRDHCASOBWAKO-JKSUJKDBSA-N 1 1 299.418 3.054 20 30 CGEDMO C[C@]1(c2ccccc2)CC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000593960653 347124043 /nfs/dbraw/zinc/12/40/43/347124043.db2.gz BAFKDBMKYNNALS-SFHVURJKSA-N 1 1 277.371 3.117 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)CCc2ccc(F)cc21 ZINC000594014456 347137309 /nfs/dbraw/zinc/13/73/09/347137309.db2.gz DUFVYLAFPBXUOM-CYBMUJFWSA-N 1 1 295.361 3.254 20 30 CGEDMO C[NH+](C)Cc1ccc(NC(=O)CCCCC#N)cc1Cl ZINC000594013912 347137383 /nfs/dbraw/zinc/13/73/83/347137383.db2.gz GSAZDVIBEJURRN-UHFFFAOYSA-N 1 1 293.798 3.424 20 30 CGEDMO C[C@H]1C[N@@H+](CCCSCC#N)CC2(CCCCC2)O1 ZINC000594058928 347146681 /nfs/dbraw/zinc/14/66/81/347146681.db2.gz UWCWVDQDKSZETJ-AWEZNQCLSA-N 1 1 282.453 3.057 20 30 CGEDMO C[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C#N)C2)CC2(CCCCC2)O1 ZINC000594057806 347146740 /nfs/dbraw/zinc/14/67/40/347146740.db2.gz MWUNCEHFLLZYHV-RBSFLKMASA-N 1 1 262.397 3.102 20 30 CGEDMO COC1(C[N@H+]2Cc3ccc(C#N)cc3C2)CCCCC1 ZINC000594610892 347203265 /nfs/dbraw/zinc/20/32/65/347203265.db2.gz HAZAXBCAGPKQGB-UHFFFAOYSA-N 1 1 270.376 3.223 20 30 CGEDMO CC(C)(C#N)c1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000594496411 347178732 /nfs/dbraw/zinc/17/87/32/347178732.db2.gz ZSBPUGTXHJLMJN-QZTJIDSGSA-N 1 1 297.446 3.204 20 30 CGEDMO CC(C)(C#N)c1ccc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000594496411 347178733 /nfs/dbraw/zinc/17/87/33/347178733.db2.gz ZSBPUGTXHJLMJN-QZTJIDSGSA-N 1 1 297.446 3.204 20 30 CGEDMO CC1CC[NH+](CCNCc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594926560 347231685 /nfs/dbraw/zinc/23/16/85/347231685.db2.gz TUQBOEXTQYQLRE-UHFFFAOYSA-N 1 1 297.446 3.063 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc(N3CCCC3)nc2)CCCCC1 ZINC000594981955 347248456 /nfs/dbraw/zinc/24/84/56/347248456.db2.gz WGGHYGFTMMSBIN-UHFFFAOYSA-N 1 1 298.434 3.245 20 30 CGEDMO COc1ccccc1C[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595291277 347287332 /nfs/dbraw/zinc/28/73/32/347287332.db2.gz IXGUJARBXBPYNE-UHFFFAOYSA-N 1 1 280.371 3.241 20 30 CGEDMO CCC[N@@H+](CCO[C@H]1CC1(F)F)Cc1ccc(C#N)cc1 ZINC000595289572 347287387 /nfs/dbraw/zinc/28/73/87/347287387.db2.gz FERYOORUIJOGEM-HNNXBMFYSA-N 1 1 294.345 3.194 20 30 CGEDMO C[C@H](O)C[N@@H+](CCc1ccc(C#N)cc1)C1CCCCC1 ZINC000595303971 347289252 /nfs/dbraw/zinc/28/92/52/347289252.db2.gz SEARPOAXUNIHHY-HNNXBMFYSA-N 1 1 286.419 3.116 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)CCc1ccc(C#N)cc1 ZINC000595348557 347295154 /nfs/dbraw/zinc/29/51/54/347295154.db2.gz SRIMGZBTVZTAEM-UHFFFAOYSA-N 1 1 269.392 3.363 20 30 CGEDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595352850 347296155 /nfs/dbraw/zinc/29/61/55/347296155.db2.gz POWIKZWNSRRPES-OAHLLOKOSA-N 1 1 294.398 3.369 20 30 CGEDMO C[C@H]([NH2+]Cc1cc(C2CC2)no1)c1cccc(C#N)c1 ZINC000595416492 347300062 /nfs/dbraw/zinc/30/00/62/347300062.db2.gz YJAJPVXOAZQPMD-NSHDSACASA-N 1 1 267.332 3.274 20 30 CGEDMO CSc1ccc(OCC[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000595615465 347327332 /nfs/dbraw/zinc/32/73/32/347327332.db2.gz RJZPSDCETWBNAG-CQSZACIVSA-N 1 1 290.432 3.413 20 30 CGEDMO N#Cc1cccc(NC(=O)C[NH+]2CCC(C3CCC3)CC2)c1 ZINC000595660533 347334122 /nfs/dbraw/zinc/33/41/22/347334122.db2.gz UMBMXQHFEOBQDB-UHFFFAOYSA-N 1 1 297.402 3.009 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000595657709 347334394 /nfs/dbraw/zinc/33/43/94/347334394.db2.gz ASZNRVURBRARQK-ZDUSSCGKSA-N 1 1 258.340 3.485 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000595657708 347334687 /nfs/dbraw/zinc/33/46/87/347334687.db2.gz ASZNRVURBRARQK-CYBMUJFWSA-N 1 1 258.340 3.485 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000595661052 347335205 /nfs/dbraw/zinc/33/52/05/347335205.db2.gz XAARDUGRZMWBMH-CABCVRRESA-N 1 1 297.402 3.173 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(C2CCC2)CC1 ZINC000595660988 347335754 /nfs/dbraw/zinc/33/57/54/347335754.db2.gz VFJZKFVFHPQHQR-UHFFFAOYSA-N 1 1 299.374 3.479 20 30 CGEDMO C[C@@]12COC[C@]1(C)C[N@H+](CCC1(C#N)CCCCC1)C2 ZINC000595690148 347337864 /nfs/dbraw/zinc/33/78/64/347337864.db2.gz VXLOJDOOMQSPLW-IYBDPMFKSA-N 1 1 276.424 3.209 20 30 CGEDMO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1ccc(Cl)cc1C#N)C2 ZINC000595688898 347338168 /nfs/dbraw/zinc/33/81/68/347338168.db2.gz KCYJCCQUFJVDFB-IYBDPMFKSA-N 1 1 290.794 3.070 20 30 CGEDMO C[C@@]12COC[C@]1(C)C[N@H+](Cc1ccc(Cl)cc1C#N)C2 ZINC000595688898 347338171 /nfs/dbraw/zinc/33/81/71/347338171.db2.gz KCYJCCQUFJVDFB-IYBDPMFKSA-N 1 1 290.794 3.070 20 30 CGEDMO C[N@H+](Cc1ccccc1C(C)(C)C#N)CC1=CCCOC1 ZINC000595751100 347349386 /nfs/dbraw/zinc/34/93/86/347349386.db2.gz GQCNNVJBNIBIBB-UHFFFAOYSA-N 1 1 284.403 3.266 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)cc1 ZINC000595786819 347356359 /nfs/dbraw/zinc/35/63/59/347356359.db2.gz HSVPTKWJGRPUGI-ROUUACIJSA-N 1 1 284.403 3.339 20 30 CGEDMO Cc1cc(CO)cc(N[C@@H]2CCCc3cc(C#N)ccc32)[nH+]1 ZINC000596279270 347409613 /nfs/dbraw/zinc/40/96/13/347409613.db2.gz VYCTVXWJCPEZHX-QGZVFWFLSA-N 1 1 293.370 3.244 20 30 CGEDMO CN(c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000595825156 347360836 /nfs/dbraw/zinc/36/08/36/347360836.db2.gz CFBRKLHAQRANIP-LJQANCHMSA-N 1 1 291.398 3.269 20 30 CGEDMO CC(C)(C)[N@H+]1CC[C@H]1CNc1c(F)cc(C#N)cc1F ZINC000596307343 347413788 /nfs/dbraw/zinc/41/37/88/347413788.db2.gz KUNKOGWEWXUWOO-NSHDSACASA-N 1 1 279.334 3.121 20 30 CGEDMO CSc1ccc(OCC[N@@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000595837819 347364301 /nfs/dbraw/zinc/36/43/01/347364301.db2.gz NEBVQRHXAZGQNX-HNNXBMFYSA-N 1 1 276.405 3.023 20 30 CGEDMO CSc1ccc(OCC[N@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000595837819 347364305 /nfs/dbraw/zinc/36/43/05/347364305.db2.gz NEBVQRHXAZGQNX-HNNXBMFYSA-N 1 1 276.405 3.023 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1ccccc1C#N ZINC000595844933 347367149 /nfs/dbraw/zinc/36/71/49/347367149.db2.gz IKNHEDRBWLWHKM-IYBDPMFKSA-N 1 1 268.360 3.120 20 30 CGEDMO C[N@@H+](CCCSCC#N)C[C@H]1CCc2ccccc21 ZINC000595881485 347370295 /nfs/dbraw/zinc/37/02/95/347370295.db2.gz SHYUDCWQEDEFEZ-OAHLLOKOSA-N 1 1 274.433 3.295 20 30 CGEDMO C[N@@H+](C[C@@H]1CCc2ccccc21)[C@H]1CC[C@H](C#N)C1 ZINC000595878215 347370314 /nfs/dbraw/zinc/37/03/14/347370314.db2.gz MBDRMSQZBJRFAH-BPUTZDHNSA-N 1 1 254.377 3.340 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@H](c2ncc(C(=O)OC)s2)C1 ZINC000595918658 347372335 /nfs/dbraw/zinc/37/23/35/347372335.db2.gz KBENQVWQDWDNKA-LBPRGKRZSA-N 1 1 294.420 3.075 20 30 CGEDMO CC1(C)C[N@@H+](CCCSCC#N)[C@@H]1c1ccncc1 ZINC000596591248 347484258 /nfs/dbraw/zinc/48/42/58/347484258.db2.gz IXPXLHVDJZNLOY-CQSZACIVSA-N 1 1 275.421 3.111 20 30 CGEDMO Cc1ccc(C#N)cc1-c1ccc(C[NH+]2CCOCC2)cc1 ZINC000596635428 347494457 /nfs/dbraw/zinc/49/44/57/347494457.db2.gz AXQOZHOJGCACRF-UHFFFAOYSA-N 1 1 292.382 3.366 20 30 CGEDMO C[C@H](CC#N)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000596824093 347513531 /nfs/dbraw/zinc/51/35/31/347513531.db2.gz HOOXEDJJKZAYIU-LSDHHAIUSA-N 1 1 299.418 3.407 20 30 CGEDMO CC(C)CO[C@@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597030630 347529311 /nfs/dbraw/zinc/52/93/11/347529311.db2.gz SGRBAFBVMZMBEQ-GOSISDBHSA-N 1 1 298.430 3.489 20 30 CGEDMO C[C@@H]1CSCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597112834 347536643 /nfs/dbraw/zinc/53/66/43/347536643.db2.gz JDSFQASDHZPASS-AWEZNQCLSA-N 1 1 286.444 3.427 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)[C@@H](C)C1 ZINC000597132345 347538111 /nfs/dbraw/zinc/53/81/11/347538111.db2.gz PBZMGTTWXBRZCI-YOEHRIQHSA-N 1 1 284.403 3.241 20 30 CGEDMO C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)CC(C)(C)C#N ZINC000597136357 347539201 /nfs/dbraw/zinc/53/92/01/347539201.db2.gz WAXJEABBXCRPPM-UHFFFAOYSA-N 1 1 267.376 3.223 20 30 CGEDMO C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)CC(C)(C)C#N ZINC000597136357 347539205 /nfs/dbraw/zinc/53/92/05/347539205.db2.gz WAXJEABBXCRPPM-UHFFFAOYSA-N 1 1 267.376 3.223 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccnn1CC1CC1 ZINC000597156952 347541645 /nfs/dbraw/zinc/54/16/45/347541645.db2.gz CZINHBNMJIOTAV-AWEZNQCLSA-N 1 1 294.402 3.358 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccnn1CC1CC1 ZINC000597156952 347541648 /nfs/dbraw/zinc/54/16/48/347541648.db2.gz CZINHBNMJIOTAV-AWEZNQCLSA-N 1 1 294.402 3.358 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cccc3cc[nH]c32)C1 ZINC000597173341 347543292 /nfs/dbraw/zinc/54/32/92/347543292.db2.gz JEKKHXUQJYBFRQ-ZDUSSCGKSA-N 1 1 253.349 3.294 20 30 CGEDMO N#CCCCOc1cccc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000597222749 347556758 /nfs/dbraw/zinc/55/67/58/347556758.db2.gz HAOAHDFVJUVOEN-HZPDHXFCSA-N 1 1 270.376 3.211 20 30 CGEDMO COC(=O)c1ccc(C[NH2+]CC2(C#N)CCCCC2)cc1 ZINC000597225083 347557893 /nfs/dbraw/zinc/55/78/93/347557893.db2.gz NJIIVVVJPGXGDV-UHFFFAOYSA-N 1 1 286.375 3.037 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000597231489 347558312 /nfs/dbraw/zinc/55/83/12/347558312.db2.gz YGOFIIYVNCBJPL-SFHVURJKSA-N 1 1 277.371 3.484 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000597231489 347558316 /nfs/dbraw/zinc/55/83/16/347558316.db2.gz YGOFIIYVNCBJPL-SFHVURJKSA-N 1 1 277.371 3.484 20 30 CGEDMO C[C@H]1C[N@@H+](CC(C)(C)CCC#N)C[C@](C)(C(F)F)O1 ZINC000597253915 347563248 /nfs/dbraw/zinc/56/32/48/347563248.db2.gz APTOLYLXCWJEQW-SMDDNHRTSA-N 1 1 274.355 3.061 20 30 CGEDMO C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(C#N)c(F)c1 ZINC000599069296 347714175 /nfs/dbraw/zinc/71/41/75/347714175.db2.gz FKFNZXZYXKICKQ-ZIAGYGMSSA-N 1 1 289.398 3.080 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@@H+](Cc1cccs1)C1CC1 ZINC000598587198 347666584 /nfs/dbraw/zinc/66/65/84/347666584.db2.gz OZPKAYRICXNZLU-CYBMUJFWSA-N 1 1 278.421 3.013 20 30 CGEDMO Cc1ccc([C@@H](C)[N@@H+](C)C[C@H](O)CC(C)(C)C#N)cc1 ZINC000598585583 347666870 /nfs/dbraw/zinc/66/68/70/347666870.db2.gz GJFSLFMAPNDMJN-GDBMZVCRSA-N 1 1 274.408 3.289 20 30 CGEDMO CC(C)[N@H+](Cc1ccccc1)C[C@H](O)CC(C)(C)C#N ZINC000598591092 347667758 /nfs/dbraw/zinc/66/77/58/347667758.db2.gz ZMLMDVTYSINUHW-MRXNPFEDSA-N 1 1 274.408 3.198 20 30 CGEDMO C[C@H](C[N@@H+](C)C[C@@H](O)CC(C)(C)C#N)c1ccccc1 ZINC000598588542 347667767 /nfs/dbraw/zinc/66/77/67/347667767.db2.gz BTDWUPSPQFFPBY-ZBFHGGJFSA-N 1 1 274.408 3.023 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000598587758 347667802 /nfs/dbraw/zinc/66/78/02/347667802.db2.gz VMIRJWHGUIICRL-HZPDHXFCSA-N 1 1 290.382 3.263 20 30 CGEDMO CC[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@H]1CCCC[C@H]1C ZINC000598608391 347670564 /nfs/dbraw/zinc/67/05/64/347670564.db2.gz RCZUYDZQDHZMIV-KFWWJZLASA-N 1 1 266.429 3.188 20 30 CGEDMO Cc1cc(C)cc(C[N@@H+](C)C[C@H](O)CC(C)(C)C#N)c1 ZINC000598611652 347671572 /nfs/dbraw/zinc/67/15/72/347671572.db2.gz VMKZBPAQNYPNCU-MRXNPFEDSA-N 1 1 274.408 3.036 20 30 CGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CCCC2(CC2)CC1 ZINC000599672096 347763592 /nfs/dbraw/zinc/76/35/92/347763592.db2.gz ALKHIBZXGVDZCM-AWEZNQCLSA-N 1 1 297.402 3.151 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCOc2cc(F)ccc2C1 ZINC000599688469 347766080 /nfs/dbraw/zinc/76/60/80/347766080.db2.gz YNHWWBVGGCRONU-UHFFFAOYSA-N 1 1 276.355 3.350 20 30 CGEDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(C)c(C#N)c2)C[C@@H]1C ZINC000599319441 347735353 /nfs/dbraw/zinc/73/53/53/347735353.db2.gz ZPTSZNKCOFFPPP-YJBOKZPZSA-N 1 1 285.435 3.171 20 30 CGEDMO CCN1CC[C@H]([N@H+](C)Cc2ccc(C)c(C#N)c2)C[C@@H]1C ZINC000599319441 347735374 /nfs/dbraw/zinc/73/53/74/347735374.db2.gz ZPTSZNKCOFFPPP-YJBOKZPZSA-N 1 1 285.435 3.171 20 30 CGEDMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(C)c(C#N)c2)C[C@@H]1C ZINC000599319441 347735377 /nfs/dbraw/zinc/73/53/77/347735377.db2.gz ZPTSZNKCOFFPPP-YJBOKZPZSA-N 1 1 285.435 3.171 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cc1C#N ZINC000599340131 347736928 /nfs/dbraw/zinc/73/69/28/347736928.db2.gz LGFVHNKHBHKFAS-DLBZAZTESA-N 1 1 284.403 3.115 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCC[C@](CO)(C(C)C)C2)cc1C#N ZINC000599428976 347744059 /nfs/dbraw/zinc/74/40/59/347744059.db2.gz MGADVLOOYPOFOY-SFHVURJKSA-N 1 1 286.419 3.097 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599552439 347753466 /nfs/dbraw/zinc/75/34/66/347753466.db2.gz CSJUPVAWOJVYCI-CABCVRRESA-N 1 1 288.416 3.037 20 30 CGEDMO N#Cc1ccc(C[NH+](C2CC2)C2CC2)c(Br)c1 ZINC000599600159 347757308 /nfs/dbraw/zinc/75/73/08/347757308.db2.gz OJBTWOGUQKRNAZ-UHFFFAOYSA-N 1 1 291.192 3.448 20 30 CGEDMO Cc1ccoc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000600212924 347794213 /nfs/dbraw/zinc/79/42/13/347794213.db2.gz LCNWVKNPBBGMCN-UHFFFAOYSA-N 1 1 266.344 3.212 20 30 CGEDMO COc1ccc(C[N@@H+](C)C[C@@H](C)CCC#N)c(OC)c1 ZINC000602431773 347957347 /nfs/dbraw/zinc/95/73/47/347957347.db2.gz FQQNCOXUWWQDAG-ZDUSSCGKSA-N 1 1 276.380 3.075 20 30 CGEDMO CC[N@H+](Cc1ccc(OC)cc1)C[C@H](C)CCC#N ZINC000602439822 347958159 /nfs/dbraw/zinc/95/81/59/347958159.db2.gz NGVHKCGXLUEHIF-CQSZACIVSA-N 1 1 260.381 3.457 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(C#N)n1 ZINC000602444526 347959324 /nfs/dbraw/zinc/95/93/24/347959324.db2.gz OUPWDKYKOLKCJB-UHFFFAOYSA-N 1 1 290.370 3.237 20 30 CGEDMO CC[N@H+](C[C@@H](C)C#N)[C@H]1CCc2cc(OC)c(OC)cc21 ZINC000602448446 347959911 /nfs/dbraw/zinc/95/99/11/347959911.db2.gz UFRIHXBWIZUWDD-WFASDCNBSA-N 1 1 288.391 3.173 20 30 CGEDMO CC[N@@H+](C[C@@H](C)C#N)[C@H]1CCc2cc(OC)c(OC)cc21 ZINC000602448446 347959915 /nfs/dbraw/zinc/95/99/15/347959915.db2.gz UFRIHXBWIZUWDD-WFASDCNBSA-N 1 1 288.391 3.173 20 30 CGEDMO CC[N@H+](C[C@H](C)C#N)[C@H]1CCc2cc(OC)c(OC)cc21 ZINC000602448443 347960260 /nfs/dbraw/zinc/96/02/60/347960260.db2.gz UFRIHXBWIZUWDD-DOMZBBRYSA-N 1 1 288.391 3.173 20 30 CGEDMO CC[N@@H+](C[C@H](C)C#N)[C@H]1CCc2cc(OC)c(OC)cc21 ZINC000602448443 347960261 /nfs/dbraw/zinc/96/02/61/347960261.db2.gz UFRIHXBWIZUWDD-DOMZBBRYSA-N 1 1 288.391 3.173 20 30 CGEDMO COc1ccc(CCC[N@@H+](C)Cc2cccc(C#N)n2)cc1 ZINC000602450992 347960406 /nfs/dbraw/zinc/96/04/06/347960406.db2.gz YBJJMFWXOIRMTC-UHFFFAOYSA-N 1 1 295.386 3.026 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000602461975 347961932 /nfs/dbraw/zinc/96/19/32/347961932.db2.gz KGWURZGFCPQXBC-OAHLLOKOSA-N 1 1 282.391 3.352 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000602472843 347963776 /nfs/dbraw/zinc/96/37/76/347963776.db2.gz CRWZNDCKNLEXHU-GDBMZVCRSA-N 1 1 264.413 3.350 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccc(=O)[nH]c1 ZINC000602480491 347966468 /nfs/dbraw/zinc/96/64/68/347966468.db2.gz CFTGBANDPWMCGI-IRXDYDNUSA-N 1 1 293.370 3.059 20 30 CGEDMO CCC(CC)[C@@H](C[NH2+]C[C@@H](C)CCC#N)N1CCCC1 ZINC000602509362 347973067 /nfs/dbraw/zinc/97/30/67/347973067.db2.gz GJYXDPUHGCWATM-DOTOQJQBSA-N 1 1 279.472 3.416 20 30 CGEDMO CC(C)C[C@@H]([NH2+]C[C@H](C)CCC#N)C(=O)OC(C)(C)C ZINC000602589304 347989693 /nfs/dbraw/zinc/98/96/93/347989693.db2.gz TXNFVSUAOLETTG-ZIAGYGMSSA-N 1 1 282.428 3.272 20 30 CGEDMO N#CCC1(C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)CC1 ZINC000602785929 348028037 /nfs/dbraw/zinc/02/80/37/348028037.db2.gz STDHSGAZLQZLEP-UHFFFAOYSA-N 1 1 292.386 3.346 20 30 CGEDMO CC(C)(C#N)CN[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000602617733 347994825 /nfs/dbraw/zinc/99/48/25/347994825.db2.gz ZRODAYAVODCLLP-WMZOPIPTSA-N 1 1 297.446 3.494 20 30 CGEDMO N#CC1(CN[C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000602644649 347999835 /nfs/dbraw/zinc/99/98/35/347999835.db2.gz ZSOWPNNLRSLJRV-WMZOPIPTSA-N 1 1 295.430 3.248 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000602670233 348005074 /nfs/dbraw/zinc/00/50/74/348005074.db2.gz NKLGGFFNNLKTJX-RDJZCZTQSA-N 1 1 283.419 3.063 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000602698344 348012125 /nfs/dbraw/zinc/01/21/25/348012125.db2.gz NSYDGOJGQCVTMQ-ILXRZTDVSA-N 1 1 294.439 3.368 20 30 CGEDMO Cc1ncccc1OC[C@H]1CCC[N@@H+]1C[C@@H](C)CCC#N ZINC000602700279 348012736 /nfs/dbraw/zinc/01/27/36/348012736.db2.gz UUZJLQOLVJIUJC-GOEBONIOSA-N 1 1 287.407 3.173 20 30 CGEDMO C[C@H](CCC#N)C[NH2+]CC(F)(F)c1cccc(F)c1 ZINC000602712391 348015867 /nfs/dbraw/zinc/01/58/67/348015867.db2.gz ZYIYHPMPBXCEAC-LLVKDONJSA-N 1 1 270.298 3.447 20 30 CGEDMO N#CCC1(C[NH+]2CCN(C/C=C\c3ccccc3)CC2)CC1 ZINC000602762114 348024321 /nfs/dbraw/zinc/02/43/21/348024321.db2.gz IHIGNKPYEIISCB-DAXSKMNVSA-N 1 1 295.430 3.011 20 30 CGEDMO CC[N@@H+](Cc1cc[nH]c(=O)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000602764315 348025642 /nfs/dbraw/zinc/02/56/42/348025642.db2.gz PJXYUFXHTCHPLH-ZDUSSCGKSA-N 1 1 281.359 3.242 20 30 CGEDMO N#CCC1(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)CC1 ZINC000602791702 348030506 /nfs/dbraw/zinc/03/05/06/348030506.db2.gz RYGPIEZNHDWCST-HNNXBMFYSA-N 1 1 256.349 3.223 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000602810257 348032446 /nfs/dbraw/zinc/03/24/46/348032446.db2.gz GHOAIROFJYTXLF-HZPDHXFCSA-N 1 1 296.418 3.441 20 30 CGEDMO N#CCC1(C[N@@H+]2CCc3cc(Cl)ccc3C2)CC1 ZINC000602817017 348033333 /nfs/dbraw/zinc/03/33/33/348033333.db2.gz RRDYYFXCMNBWCG-UHFFFAOYSA-N 1 1 260.768 3.392 20 30 CGEDMO N#CCC1(C[N@H+]2CCc3cc(Cl)ccc3C2)CC1 ZINC000602817017 348033336 /nfs/dbraw/zinc/03/33/36/348033336.db2.gz RRDYYFXCMNBWCG-UHFFFAOYSA-N 1 1 260.768 3.392 20 30 CGEDMO CC1(C)C[N@H+](CC2(CC#N)CC2)[C@H]1c1ccncc1 ZINC000602904477 348042479 /nfs/dbraw/zinc/04/24/79/348042479.db2.gz VMIYWDIROBYFNC-AWEZNQCLSA-N 1 1 255.365 3.158 20 30 CGEDMO CC1(C)C[N@@H+](CC2(CC#N)CC2)[C@H]1c1ccncc1 ZINC000602904477 348042480 /nfs/dbraw/zinc/04/24/80/348042480.db2.gz VMIYWDIROBYFNC-AWEZNQCLSA-N 1 1 255.365 3.158 20 30 CGEDMO C=CC[N@H+](CCCCC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000605150896 348148841 /nfs/dbraw/zinc/14/88/41/348148841.db2.gz ZIRKDAHODLUJSF-OAHLLOKOSA-N 1 1 299.422 3.402 20 30 CGEDMO C=CCCCCC[N@H+](C)CC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000606902741 348206502 /nfs/dbraw/zinc/20/65/02/348206502.db2.gz ZGNSPVVFSZURNV-HZPDHXFCSA-N 1 1 280.456 3.169 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCc2ccc(O)cc2CC1 ZINC000609823393 348354552 /nfs/dbraw/zinc/35/45/52/348354552.db2.gz CENGCPXPROXTDJ-AWEZNQCLSA-N 1 1 292.382 3.426 20 30 CGEDMO C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(F)cc1C#N ZINC000610161382 348363785 /nfs/dbraw/zinc/36/37/85/348363785.db2.gz PVIIRBWMYXSYDK-CQSZACIVSA-N 1 1 298.361 3.080 20 30 CGEDMO C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(F)cc1C#N ZINC000610161382 348363787 /nfs/dbraw/zinc/36/37/87/348363787.db2.gz PVIIRBWMYXSYDK-CQSZACIVSA-N 1 1 298.361 3.080 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccnc(C#N)c1 ZINC000610992077 348414866 /nfs/dbraw/zinc/41/48/66/348414866.db2.gz WTFTZFQOVMOWRA-UHFFFAOYSA-N 1 1 290.370 3.237 20 30 CGEDMO C[C@@H](C[N@@H+](C)Cc1ccnc(C#N)c1)c1ccccc1 ZINC000610992496 348415398 /nfs/dbraw/zinc/41/53/98/348415398.db2.gz KLGSXMGDIXPWCF-AWEZNQCLSA-N 1 1 265.360 3.189 20 30 CGEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccnc(C#N)c2)C1 ZINC000610993968 348416569 /nfs/dbraw/zinc/41/65/69/348416569.db2.gz OUBHEHMPSZYDHZ-HUUCEWRRSA-N 1 1 275.421 3.059 20 30 CGEDMO N#Cc1cc(C[N@H+](CCc2ccc(F)cc2)C2CC2)ccn1 ZINC000610993583 348416611 /nfs/dbraw/zinc/41/66/11/348416611.db2.gz YOAYOKLBBLXVHO-UHFFFAOYSA-N 1 1 295.361 3.299 20 30 CGEDMO CC[C@H]1CCC[N@@H+]1Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000611346648 348440054 /nfs/dbraw/zinc/44/00/54/348440054.db2.gz AJYUJHSZLKWTCH-HNNXBMFYSA-N 1 1 294.402 3.427 20 30 CGEDMO CC[C@H]1CCC[N@H+]1Cc1c(C#N)c(C)nn1-c1ccccc1 ZINC000611346648 348440055 /nfs/dbraw/zinc/44/00/55/348440055.db2.gz AJYUJHSZLKWTCH-HNNXBMFYSA-N 1 1 294.402 3.427 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](C(F)F)C1 ZINC000611180518 348426997 /nfs/dbraw/zinc/42/69/97/348426997.db2.gz YVTBJGGKLHQXQJ-MFKMUULPSA-N 1 1 250.292 3.206 20 30 CGEDMO CC[N@H+]1C[C@@H](C)N(c2cc(C#N)nc3ccccc32)C[C@H]1C ZINC000611222010 348428310 /nfs/dbraw/zinc/42/83/10/348428310.db2.gz CCDZSBGQFUJAEL-ZIAGYGMSSA-N 1 1 294.402 3.025 20 30 CGEDMO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000611372102 348441459 /nfs/dbraw/zinc/44/14/59/348441459.db2.gz DOIWLVQZWJEBLI-MRXNPFEDSA-N 1 1 298.365 3.076 20 30 CGEDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1cccc(C#N)c1F ZINC000611372102 348441461 /nfs/dbraw/zinc/44/14/61/348441461.db2.gz DOIWLVQZWJEBLI-MRXNPFEDSA-N 1 1 298.365 3.076 20 30 CGEDMO CC(C)[N@H+](C)CCCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611390668 348444292 /nfs/dbraw/zinc/44/42/92/348444292.db2.gz NMWAVHWYRSUNJN-GOSISDBHSA-N 1 1 285.435 3.256 20 30 CGEDMO CC(C)[N@@H+](C)CCCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611390668 348444294 /nfs/dbraw/zinc/44/42/94/348444294.db2.gz NMWAVHWYRSUNJN-GOSISDBHSA-N 1 1 285.435 3.256 20 30 CGEDMO COCC[N@H+](Cc1ccc(C)cc1C)CC1(C#N)CC1 ZINC000611429297 348451085 /nfs/dbraw/zinc/45/10/85/348451085.db2.gz FKBOJYUZOIGUFM-UHFFFAOYSA-N 1 1 272.392 3.056 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C)cc1C)CC1(C#N)CC1 ZINC000611429297 348451087 /nfs/dbraw/zinc/45/10/87/348451087.db2.gz FKBOJYUZOIGUFM-UHFFFAOYSA-N 1 1 272.392 3.056 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000611462976 348453643 /nfs/dbraw/zinc/45/36/43/348453643.db2.gz WXAREBNBGNDRFU-CABCVRRESA-N 1 1 264.413 3.065 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CCCSCC2)cc1 ZINC000273396525 192137447 /nfs/dbraw/zinc/13/74/47/192137447.db2.gz LERNISVSBKMOIR-UHFFFAOYSA-N 1 1 275.417 3.028 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](C[C@@H]2CCc3ccccc3C2)C1 ZINC000612165225 348499046 /nfs/dbraw/zinc/49/90/46/348499046.db2.gz LTJGMDTWAHFUJB-CRAIPNDOSA-N 1 1 268.404 3.417 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000612584840 348530452 /nfs/dbraw/zinc/53/04/52/348530452.db2.gz CURNFECKTOEWGS-UHFFFAOYSA-N 1 1 286.297 3.267 20 30 CGEDMO Cc1cccc(-c2n[nH]cc2C[NH2+]CC(C)(C)C#N)c1 ZINC000612585081 348530622 /nfs/dbraw/zinc/53/06/22/348530622.db2.gz NOJLEELDWQSVMZ-UHFFFAOYSA-N 1 1 268.364 3.025 20 30 CGEDMO N#C[C@H]1CCC[C@@H]([NH2+]Cc2c(F)c(F)cc(F)c2F)C1 ZINC000613255579 348581516 /nfs/dbraw/zinc/58/15/16/348581516.db2.gz YKZHNRXIKNOJMA-DTWKUNHWSA-N 1 1 286.272 3.415 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000613460607 348607218 /nfs/dbraw/zinc/60/72/18/348607218.db2.gz DCEGMSIXNGAYGZ-MRXNPFEDSA-N 1 1 290.370 3.282 20 30 CGEDMO C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)CC1(O)CCCC1 ZINC000614176909 348654946 /nfs/dbraw/zinc/65/49/46/348654946.db2.gz CSQWSPROKGYNAV-UHFFFAOYSA-N 1 1 286.419 3.225 20 30 CGEDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176751 348655319 /nfs/dbraw/zinc/65/53/19/348655319.db2.gz CBPAWUGCLRFQQO-HUUCEWRRSA-N 1 1 285.435 3.012 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C#N)cc2)[C@H](C)CN1C ZINC000614176751 348655322 /nfs/dbraw/zinc/65/53/22/348655322.db2.gz CBPAWUGCLRFQQO-HUUCEWRRSA-N 1 1 285.435 3.012 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)[C@H](C)CN1C ZINC000614176751 348655324 /nfs/dbraw/zinc/65/53/24/348655324.db2.gz CBPAWUGCLRFQQO-HUUCEWRRSA-N 1 1 285.435 3.012 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCCSCC2)cc1 ZINC000614177147 348655464 /nfs/dbraw/zinc/65/54/64/348655464.db2.gz NRUZOZQGJWVZJT-UHFFFAOYSA-N 1 1 274.433 3.427 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+](CC1CCCCC1)C1CC1 ZINC000613501957 348612614 /nfs/dbraw/zinc/61/26/14/348612614.db2.gz RYCFSHLSAWCBSB-UHFFFAOYSA-N 1 1 290.451 3.232 20 30 CGEDMO C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@H]1CC[C@H](O)CC1 ZINC000615239424 348726371 /nfs/dbraw/zinc/72/63/71/348726371.db2.gz MGJNLUSRRLCUMY-QAQDUYKDSA-N 1 1 286.419 3.223 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccccc1Cl ZINC000614800183 348694538 /nfs/dbraw/zinc/69/45/38/348694538.db2.gz LWPVZXXNGYZYKY-NSHDSACASA-N 1 1 271.751 3.457 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000614962865 348703539 /nfs/dbraw/zinc/70/35/39/348703539.db2.gz KBKCFMGMLPXXAO-WMLDXEAASA-N 1 1 280.375 3.153 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CCCC1 ZINC000617340317 348949541 /nfs/dbraw/zinc/94/95/41/348949541.db2.gz YPTTZXRCQZMXMW-CQSZACIVSA-N 1 1 278.440 3.112 20 30 CGEDMO COC(=O)c1coc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)c1 ZINC000618569881 349108165 /nfs/dbraw/zinc/10/81/65/349108165.db2.gz DZKNVIGBKHVBQS-NEPJUHHUSA-N 1 1 298.342 3.350 20 30 CGEDMO COc1cc(C[N@@H+](C[C@H](C)CCC#N)C2CC2)ccc1O ZINC000618888281 349176243 /nfs/dbraw/zinc/17/62/43/349176243.db2.gz VHUYCOFRJABGIA-CYBMUJFWSA-N 1 1 288.391 3.305 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000618819490 349157843 /nfs/dbraw/zinc/15/78/43/349157843.db2.gz HSJIUZDGSIOSRV-UHFFFAOYSA-N 1 1 261.350 3.042 20 30 CGEDMO N#CCC[N@@H+](Cc1cc2ccccc2[nH]1)CC1CC1 ZINC000619073150 349201228 /nfs/dbraw/zinc/20/12/28/349201228.db2.gz DWSPZMFAYHJJHS-UHFFFAOYSA-N 1 1 253.349 3.294 20 30 CGEDMO N#CCC[N@H+](Cc1cc2ccccc2[nH]1)CC1CC1 ZINC000619073150 349201231 /nfs/dbraw/zinc/20/12/31/349201231.db2.gz DWSPZMFAYHJJHS-UHFFFAOYSA-N 1 1 253.349 3.294 20 30 CGEDMO CC[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CCCO1 ZINC000619624039 349263387 /nfs/dbraw/zinc/26/33/87/349263387.db2.gz HFDPZDZDNRPFLP-QGZVFWFLSA-N 1 1 286.419 3.489 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000625702222 350200064 /nfs/dbraw/zinc/20/00/64/350200064.db2.gz FPOOJKAGEPFVSI-CQSZACIVSA-N 1 1 284.403 3.012 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCCC2(CC2)CC1 ZINC000626114156 350264638 /nfs/dbraw/zinc/26/46/38/350264638.db2.gz VJHZCIRFPOVZJS-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCOc1ccc(Cn2c[nH+]c3c2CCCC3)cc1 ZINC000628371173 350518282 /nfs/dbraw/zinc/51/82/82/350518282.db2.gz CSEOQHGFOXDAPI-UHFFFAOYSA-N 1 1 268.360 3.375 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2c(C)cc(OC)nc2C)C1 ZINC000628406314 350530077 /nfs/dbraw/zinc/53/00/77/350530077.db2.gz HJKJTYIPQUAYHN-AWEZNQCLSA-N 1 1 260.381 3.105 20 30 CGEDMO C=CC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000628489342 350557010 /nfs/dbraw/zinc/55/70/10/350557010.db2.gz UPOYOWDBDJHVNP-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO CCC(CC)[N@@H+](CCOC)Cc1ccc(F)c(C#N)c1 ZINC000119882739 186859157 /nfs/dbraw/zinc/85/91/57/186859157.db2.gz PUHBFQDMCNCXMY-UHFFFAOYSA-N 1 1 278.371 3.334 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C)C2)cc1C#N ZINC000122524098 187036458 /nfs/dbraw/zinc/03/64/58/187036458.db2.gz BXTHUYLGFWMQOY-OLZOCXBDSA-N 1 1 258.365 3.045 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000292062458 198148890 /nfs/dbraw/zinc/14/88/90/198148890.db2.gz CRLFHETTWQNAEM-RDTXWAMCSA-N 1 1 284.403 3.368 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)o1 ZINC000367441376 234217073 /nfs/dbraw/zinc/21/70/73/234217073.db2.gz UJMDGHSOJOLQJT-OAHLLOKOSA-N 1 1 284.334 3.497 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000292378121 198264928 /nfs/dbraw/zinc/26/49/28/198264928.db2.gz RKDZCZWVVIOKLG-HZPDHXFCSA-N 1 1 297.446 3.425 20 30 CGEDMO CCOC[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000154851585 188165620 /nfs/dbraw/zinc/16/56/20/188165620.db2.gz KFUFIIXSKNAKRC-INIZCTEOSA-N 1 1 291.822 3.440 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)o1 ZINC000155089065 188181602 /nfs/dbraw/zinc/18/16/02/188181602.db2.gz OGFFQBPFLXHYTI-HNNXBMFYSA-N 1 1 266.344 3.216 20 30 CGEDMO N#Cc1cccc(Cl)c1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000369672400 234392214 /nfs/dbraw/zinc/39/22/14/234392214.db2.gz NLANBIHTBNRNQM-QWHCGFSZSA-N 1 1 275.783 3.250 20 30 CGEDMO C=CC[NH+](CC=C)[C@H](CN[C@H](C)c1ccccn1)C(C)C ZINC000158609497 188385252 /nfs/dbraw/zinc/38/52/52/188385252.db2.gz FBOCNVPDMFQLGS-SJLPKXTDSA-N 1 1 287.451 3.431 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCc3ccc(Cl)cc3C2)C1 ZINC000336488738 283058094 /nfs/dbraw/zinc/05/80/94/283058094.db2.gz OWNOOFORGLUZFR-IAQYHMDHSA-N 1 1 260.768 3.390 20 30 CGEDMO C[C@@H]1CC(C)(C)C[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000412047782 235116069 /nfs/dbraw/zinc/11/60/69/235116069.db2.gz TXUNCQGHMZAIGZ-CYBMUJFWSA-N 1 1 285.391 3.007 20 30 CGEDMO C=C(Br)C[NH2+]C1(c2ccccc2)CC1 ZINC000271825463 191351155 /nfs/dbraw/zinc/35/11/55/191351155.db2.gz OLJPKCTXPSTDRF-UHFFFAOYSA-N 1 1 252.155 3.174 20 30 CGEDMO CC(C)c1nnc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)[nH]1 ZINC000271878803 191386334 /nfs/dbraw/zinc/38/63/34/191386334.db2.gz OTEZBXJJHARKIH-RYUDHWBXSA-N 1 1 283.379 3.212 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCc3ccc(F)cc3C2)cc1 ZINC000133950832 283143031 /nfs/dbraw/zinc/14/30/31/283143031.db2.gz ZQGYSXXGWWZIQS-UHFFFAOYSA-N 1 1 266.319 3.256 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCc3ccc(F)cc3C2)cc1 ZINC000133950832 283143035 /nfs/dbraw/zinc/14/30/35/283143035.db2.gz ZQGYSXXGWWZIQS-UHFFFAOYSA-N 1 1 266.319 3.256 20 30 CGEDMO C[C@H](Nc1ncccc1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272969720 192001560 /nfs/dbraw/zinc/00/15/60/192001560.db2.gz OHFVVMCFBJQVDS-DZGCQCFKSA-N 1 1 284.407 3.018 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437435635 237286213 /nfs/dbraw/zinc/28/62/13/237286213.db2.gz WHRJPKZSHWLCBI-NSHDSACASA-N 1 1 280.318 3.392 20 30 CGEDMO C[C@H](CCNCc1ccc(C#N)o1)[N@@H+](C)Cc1ccccc1 ZINC000177562319 189057251 /nfs/dbraw/zinc/05/72/51/189057251.db2.gz POPJMNGQAXKJRB-OAHLLOKOSA-N 1 1 297.402 3.151 20 30 CGEDMO C=C(C)C[NH+]1CCC(N[C@@H](C)c2ccsc2)CC1 ZINC000177917190 189078880 /nfs/dbraw/zinc/07/88/80/189078880.db2.gz WACKLKQKZUEMCM-ZDUSSCGKSA-N 1 1 264.438 3.439 20 30 CGEDMO COc1cc(C#N)ccc1C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000179692297 189214263 /nfs/dbraw/zinc/21/42/63/189214263.db2.gz HNHYVESPFQYDHV-UHFFFAOYSA-N 1 1 296.345 3.485 20 30 CGEDMO C[C@@H]([NH2+]Cc1cccc(C#N)c1F)c1ccccc1[N+](=O)[O-] ZINC000342288721 216292940 /nfs/dbraw/zinc/29/29/40/216292940.db2.gz ABZOFIFZPLPYMM-LLVKDONJSA-N 1 1 299.305 3.456 20 30 CGEDMO CC(C)[N@@H+]1CCC[C@H](CN[C@@H](C)c2cccc(C#N)c2)C1 ZINC000181699952 189304481 /nfs/dbraw/zinc/30/44/81/189304481.db2.gz WEEFCDIVKYVRKZ-DOTOQJQBSA-N 1 1 285.435 3.329 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H](CN[C@@H](C)c2cccc(C#N)c2)C1 ZINC000181699952 189304482 /nfs/dbraw/zinc/30/44/82/189304482.db2.gz WEEFCDIVKYVRKZ-DOTOQJQBSA-N 1 1 285.435 3.329 20 30 CGEDMO CN(CC[C@H]1CCCC[N@H+]1C)c1ccc(F)cc1C#N ZINC000301461533 201017276 /nfs/dbraw/zinc/01/72/76/201017276.db2.gz OGCQHQNCUZRXNU-OAHLLOKOSA-N 1 1 275.371 3.008 20 30 CGEDMO CC#CC[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000119411131 370673937 /nfs/dbraw/zinc/67/39/37/370673937.db2.gz IHZAGXSUOBRAJW-GFCCVEGCSA-N 1 1 256.374 3.484 20 30 CGEDMO CC(C)(C#N)CC[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000119899742 370719976 /nfs/dbraw/zinc/71/99/76/370719976.db2.gz ZUFLGKUNWXEBEE-OAHLLOKOSA-N 1 1 276.380 3.200 20 30 CGEDMO CC(C)(C#N)CC[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000119899568 370720315 /nfs/dbraw/zinc/72/03/15/370720315.db2.gz ZUFLGKUNWXEBEE-HNNXBMFYSA-N 1 1 276.380 3.200 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)Cc1ccccc1 ZINC000120558324 370779615 /nfs/dbraw/zinc/77/96/15/370779615.db2.gz MRAYRWMHOFULKR-UHFFFAOYSA-N 1 1 266.344 3.199 20 30 CGEDMO C[C@H]1CCC(C)(C)[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000452003343 240393637 /nfs/dbraw/zinc/39/36/37/240393637.db2.gz GFQDDLSAAATWCC-LBPRGKRZSA-N 1 1 296.374 3.371 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1C[C@H](C)CC[C@@H]1C ZINC000121101884 370829123 /nfs/dbraw/zinc/82/91/23/370829123.db2.gz MLRYVILHZVDTAB-OLZOCXBDSA-N 1 1 258.365 3.187 20 30 CGEDMO CCC[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])CC1CC1 ZINC000459301108 242062365 /nfs/dbraw/zinc/06/23/65/242062365.db2.gz RCFTVULPZUZETH-UHFFFAOYSA-N 1 1 273.336 3.088 20 30 CGEDMO CCC[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])CC1CC1 ZINC000459301108 242062369 /nfs/dbraw/zinc/06/23/69/242062369.db2.gz RCFTVULPZUZETH-UHFFFAOYSA-N 1 1 273.336 3.088 20 30 CGEDMO C[C@@H](C[N@@H+](C)Cc1cc(C#N)cs1)C(=O)OC(C)(C)C ZINC000459773594 242224969 /nfs/dbraw/zinc/22/49/69/242224969.db2.gz PCVBGNZULNMMKK-NSHDSACASA-N 1 1 294.420 3.029 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000121602626 370877532 /nfs/dbraw/zinc/87/75/32/370877532.db2.gz YOQIMJCZWHIQBF-UHFFFAOYSA-N 1 1 261.365 3.260 20 30 CGEDMO COC[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccc(C)o1 ZINC000353278350 220005524 /nfs/dbraw/zinc/00/55/24/220005524.db2.gz WUDHISJCHOAGSW-SJORKVTESA-N 1 1 296.370 3.424 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1Cc1ccccc1OC ZINC000124771197 370927404 /nfs/dbraw/zinc/92/74/04/370927404.db2.gz QMAVUHURHPLCDQ-DLBZAZTESA-N 1 1 289.419 3.029 20 30 CGEDMO CC[C@@H]1CCCC[N@H+]1CCOc1ccccc1C#N ZINC000034674499 368978436 /nfs/dbraw/zinc/97/84/36/368978436.db2.gz PCAHKZKLZXHAIW-OAHLLOKOSA-N 1 1 258.365 3.202 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1cccs1 ZINC000035206423 369000578 /nfs/dbraw/zinc/00/05/78/369000578.db2.gz NPVMJSJGLWOJPL-UHFFFAOYSA-N 1 1 299.399 3.080 20 30 CGEDMO CC1=CC[N@H+](Cc2cc(C#N)ccc2Br)CC1 ZINC000492724132 244013743 /nfs/dbraw/zinc/01/37/43/244013743.db2.gz RVTCEFFKUDSFSV-UHFFFAOYSA-N 1 1 291.192 3.473 20 30 CGEDMO CC1=CC[N@@H+](Cc2cc(C#N)ccc2Br)CC1 ZINC000492724132 244013747 /nfs/dbraw/zinc/01/37/47/244013747.db2.gz RVTCEFFKUDSFSV-UHFFFAOYSA-N 1 1 291.192 3.473 20 30 CGEDMO C[C@H](CC#N)[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000038012476 369140461 /nfs/dbraw/zinc/14/04/61/369140461.db2.gz LQMMYQATXBGYOV-ZJUUUORDSA-N 1 1 267.170 3.402 20 30 CGEDMO Cc1ccccc1C[N@@H+](C)Cc1ccccc1C#N ZINC000042268098 369209106 /nfs/dbraw/zinc/20/91/06/369209106.db2.gz ROBAWHGBZSJUHR-UHFFFAOYSA-N 1 1 250.345 3.499 20 30 CGEDMO Cc1ccccc1C[N@H+](C)Cc1ccccc1C#N ZINC000042268098 369209110 /nfs/dbraw/zinc/20/91/10/369209110.db2.gz ROBAWHGBZSJUHR-UHFFFAOYSA-N 1 1 250.345 3.499 20 30 CGEDMO C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)CC1CCCCC1 ZINC000049011292 369381308 /nfs/dbraw/zinc/38/13/08/369381308.db2.gz KKXHCDLNOQURKU-KRWDZBQOSA-N 1 1 272.392 3.104 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000051559861 369449323 /nfs/dbraw/zinc/44/93/23/369449323.db2.gz XTXQLKDNHAOBDL-UHFFFAOYSA-N 1 1 264.325 3.001 20 30 CGEDMO CC[N@H+](CCC#N)Cc1cccc(-c2ccccn2)c1 ZINC000127649352 370954566 /nfs/dbraw/zinc/95/45/66/370954566.db2.gz UIMBYEMKVUUSRL-UHFFFAOYSA-N 1 1 265.360 3.484 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1cccc(-c2ccccn2)c1 ZINC000127649352 370954571 /nfs/dbraw/zinc/95/45/71/370954571.db2.gz UIMBYEMKVUUSRL-UHFFFAOYSA-N 1 1 265.360 3.484 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000053096005 369478136 /nfs/dbraw/zinc/47/81/36/369478136.db2.gz FTJZUWXIQJBUFO-AWEZNQCLSA-N 1 1 259.349 3.171 20 30 CGEDMO C=CCC[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccco1 ZINC000276389566 193312088 /nfs/dbraw/zinc/31/20/88/193312088.db2.gz BIADKSLJTRDBBU-HOCLYGCPSA-N 1 1 274.408 3.361 20 30 CGEDMO C=CCC[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccco1 ZINC000276389566 193312094 /nfs/dbraw/zinc/31/20/94/193312094.db2.gz BIADKSLJTRDBBU-HOCLYGCPSA-N 1 1 274.408 3.361 20 30 CGEDMO C=CCC[N@H+](C)CCC(=O)Nc1cc(Cl)ccc1OC ZINC000276356783 193299170 /nfs/dbraw/zinc/29/91/70/193299170.db2.gz FFGNHHZATIPFLS-UHFFFAOYSA-N 1 1 296.798 3.185 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)c1c(C)[nH]c2ccccc21 ZINC000276387127 193310293 /nfs/dbraw/zinc/31/02/93/193310293.db2.gz IXKATOUDJVJKGC-UHFFFAOYSA-N 1 1 256.349 3.167 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000276429894 193326826 /nfs/dbraw/zinc/32/68/26/193326826.db2.gz NJIXORUDNITLJO-CQSZACIVSA-N 1 1 287.325 3.117 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000276519166 193365504 /nfs/dbraw/zinc/36/55/04/193365504.db2.gz YMVQOXJYXYFYLE-AWEZNQCLSA-N 1 1 260.381 3.138 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)C(=O)Nc1cccc(Cl)c1C ZINC000276468763 193344004 /nfs/dbraw/zinc/34/40/04/193344004.db2.gz RHIREVNEALBFSE-GFCCVEGCSA-N 1 1 280.799 3.483 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1ccccc1Cl ZINC000072553301 369824345 /nfs/dbraw/zinc/82/43/45/369824345.db2.gz QXNIIDNKKYBCOM-UHFFFAOYSA-N 1 1 266.772 3.177 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1ccccc1Cl ZINC000072553301 369824348 /nfs/dbraw/zinc/82/43/48/369824348.db2.gz QXNIIDNKKYBCOM-UHFFFAOYSA-N 1 1 266.772 3.177 20 30 CGEDMO CC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H](C)C(C)C ZINC000072635958 369831828 /nfs/dbraw/zinc/83/18/28/369831828.db2.gz PETSJMGANOPBTC-CQSZACIVSA-N 1 1 287.407 3.253 20 30 CGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@@H+](C)CC1CCCC1 ZINC000070158356 369784060 /nfs/dbraw/zinc/78/40/60/369784060.db2.gz DSLQLYOZLRIEQY-CYBMUJFWSA-N 1 1 285.391 3.007 20 30 CGEDMO C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000072874137 369843241 /nfs/dbraw/zinc/84/32/41/369843241.db2.gz JNTNNFNSZQCMDG-LLVKDONJSA-N 1 1 291.782 3.025 20 30 CGEDMO CC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C1CCCC1 ZINC000075638366 369915384 /nfs/dbraw/zinc/91/53/84/369915384.db2.gz PBDVQQPZEMDKGT-UHFFFAOYSA-N 1 1 296.374 3.373 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC1CCN(c2ccccn2)CC1 ZINC000076108430 369929905 /nfs/dbraw/zinc/92/99/05/369929905.db2.gz XAQCPTOOZAUMOJ-UHFFFAOYSA-N 1 1 273.424 3.196 20 30 CGEDMO C=C(Cl)CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110280 369929939 /nfs/dbraw/zinc/92/99/39/369929939.db2.gz QBTKRBPHCJVPMF-MRXNPFEDSA-N 1 1 278.827 3.193 20 30 CGEDMO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000076148765 369932160 /nfs/dbraw/zinc/93/21/60/369932160.db2.gz SXHMBQHOKPYWBK-CHWSQXEVSA-N 1 1 296.374 3.229 20 30 CGEDMO N#Cc1ccccc1OCC[N@@H+]1CCc2cc(F)ccc2C1 ZINC000091894656 370077878 /nfs/dbraw/zinc/07/78/78/370077878.db2.gz LMEIWARTGVHOHE-UHFFFAOYSA-N 1 1 296.345 3.134 20 30 CGEDMO N#Cc1ccccc1OCC[N@H+]1CCc2cc(F)ccc2C1 ZINC000091894656 370077882 /nfs/dbraw/zinc/07/78/82/370077882.db2.gz LMEIWARTGVHOHE-UHFFFAOYSA-N 1 1 296.345 3.134 20 30 CGEDMO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1ccc(C#N)o1 ZINC000093315583 370117091 /nfs/dbraw/zinc/11/70/91/370117091.db2.gz OIBIGOPXUFETFO-NSHDSACASA-N 1 1 256.305 3.050 20 30 CGEDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000093315583 370117099 /nfs/dbraw/zinc/11/70/99/370117099.db2.gz OIBIGOPXUFETFO-NSHDSACASA-N 1 1 256.305 3.050 20 30 CGEDMO CCCO[C@@H]1CCC[N@@H+](Cc2cc(C#N)cs2)CC1 ZINC000093317628 370118760 /nfs/dbraw/zinc/11/87/60/370118760.db2.gz AATRQFNUBNJRDC-CQSZACIVSA-N 1 1 278.421 3.401 20 30 CGEDMO C[C@@H]1CCC[C@@H](C)[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000093509187 370137524 /nfs/dbraw/zinc/13/75/24/370137524.db2.gz UZLYGOLTOFVYBD-ZIAGYGMSSA-N 1 1 282.391 3.216 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@H+](CC)CC(=C)C)c1C ZINC000098072229 370262896 /nfs/dbraw/zinc/26/28/96/370262896.db2.gz OIBYLESAGRHAAP-UHFFFAOYSA-N 1 1 274.408 3.372 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+](CC)CC(=C)C)c1C ZINC000098072229 370262900 /nfs/dbraw/zinc/26/29/00/370262900.db2.gz OIBYLESAGRHAAP-UHFFFAOYSA-N 1 1 274.408 3.372 20 30 CGEDMO N#CCC[N@@H+](Cc1ccc2ncccc2c1)CC1CC1 ZINC000119093589 370644363 /nfs/dbraw/zinc/64/43/63/370644363.db2.gz DWHRHJBQCJFGOJ-UHFFFAOYSA-N 1 1 265.360 3.360 20 30 CGEDMO N#CCC[N@H+](Cc1ccc2ncccc2c1)CC1CC1 ZINC000119093589 370644367 /nfs/dbraw/zinc/64/43/67/370644367.db2.gz DWHRHJBQCJFGOJ-UHFFFAOYSA-N 1 1 265.360 3.360 20 30 CGEDMO CC[C@@H]1C[N@H+]([C@@H](C)c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000118399399 370613244 /nfs/dbraw/zinc/61/32/44/370613244.db2.gz VRWHGGHZNMNZMF-HEHGZKQESA-N 1 1 258.365 3.119 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C[C@H]2CCOC2)C2CC2)cc1 ZINC000129899659 371006327 /nfs/dbraw/zinc/00/63/27/371006327.db2.gz DILGQNLCWWNZIE-MRXNPFEDSA-N 1 1 287.403 3.252 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)Cc1ccncc1 ZINC000130297400 371023389 /nfs/dbraw/zinc/02/33/89/371023389.db2.gz NXXQYGVEANWULR-UHFFFAOYSA-N 1 1 252.361 3.312 20 30 CGEDMO CCC(CC)[N@@H+](CCOC)Cc1cc(C#N)ccc1OC ZINC000130442122 371033507 /nfs/dbraw/zinc/03/35/07/371033507.db2.gz LPENEDRFULQPDU-UHFFFAOYSA-N 1 1 290.407 3.204 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)[C@H](CC)Cc1ccccc1 ZINC000131445337 371107669 /nfs/dbraw/zinc/10/76/69/371107669.db2.gz DTWQPKBTZXSHEU-IAGOWNOFSA-N 1 1 261.409 3.267 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](CC)Cc1ccccc1 ZINC000132082953 371150455 /nfs/dbraw/zinc/15/04/55/371150455.db2.gz CSCOOPPHRNKVOP-MRXNPFEDSA-N 1 1 286.419 3.098 20 30 CGEDMO CS[C@@H]1CCCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000134562017 371350391 /nfs/dbraw/zinc/35/03/91/371350391.db2.gz ZJKLAMGJWVTSMQ-CQSZACIVSA-N 1 1 278.396 3.415 20 30 CGEDMO CC[C@@H]1CCCCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000134725107 371360899 /nfs/dbraw/zinc/36/08/99/371360899.db2.gz GNGJETDCLLAIIH-MRXNPFEDSA-N 1 1 285.391 3.151 20 30 CGEDMO CC[N@@H+](Cc1ccc(OC)c(C#N)c1)[C@@H](C)C(C)C ZINC000135006752 371382688 /nfs/dbraw/zinc/38/26/88/371382688.db2.gz HMOCRFMMPLIFDS-ZDUSSCGKSA-N 1 1 260.381 3.433 20 30 CGEDMO COCc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)o2)o1 ZINC000137084541 371491619 /nfs/dbraw/zinc/49/16/19/371491619.db2.gz GLLWDGIPSNOTJH-OAHLLOKOSA-N 1 1 286.331 3.228 20 30 CGEDMO COCc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)o2)o1 ZINC000137084541 371491624 /nfs/dbraw/zinc/49/16/24/371491624.db2.gz GLLWDGIPSNOTJH-OAHLLOKOSA-N 1 1 286.331 3.228 20 30 CGEDMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)CCCCC#N ZINC000140771882 371512279 /nfs/dbraw/zinc/51/22/79/371512279.db2.gz MVCYYKTWKQRMDH-KBPBESRZSA-N 1 1 252.402 3.206 20 30 CGEDMO C#CCCC[N@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000287233977 371624732 /nfs/dbraw/zinc/62/47/32/371624732.db2.gz GDIOQZATWWXCRL-CQSZACIVSA-N 1 1 273.380 3.278 20 30 CGEDMO N#Cc1ccccc1C[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000152923532 371736494 /nfs/dbraw/zinc/73/64/94/371736494.db2.gz JKRCVBJMRPJQTL-GOSISDBHSA-N 1 1 284.403 3.482 20 30 CGEDMO CC(C)C[N@H+]1CC[C@H](CNc2nc(Cl)c(C#N)s2)C1 ZINC000287707818 371697189 /nfs/dbraw/zinc/69/71/89/371697189.db2.gz DREMPHGVNMYSCQ-SNVBAGLBSA-N 1 1 298.843 3.058 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@H]2c2ccncc2)ccc1C#N ZINC000289749774 371808520 /nfs/dbraw/zinc/80/85/20/371808520.db2.gz JCGKCMOQAWLUSK-KRWDZBQOSA-N 1 1 293.370 3.299 20 30 CGEDMO C[C@@H]([NH2+]Cc1ncccc1N(C)C)c1ccc(C#N)c(F)c1 ZINC000289947716 371859229 /nfs/dbraw/zinc/85/92/29/371859229.db2.gz WGUNUSCWKCJEQG-GFCCVEGCSA-N 1 1 298.365 3.009 20 30 CGEDMO C[N@H+](Cc1ccc(F)c(C#N)c1)C[C@@H]1CC=CCC1 ZINC000344069230 217036627 /nfs/dbraw/zinc/03/66/27/217036627.db2.gz QMMJAKQLNFXLSA-CYBMUJFWSA-N 1 1 258.340 3.485 20 30 CGEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1ccccc1 ZINC000344077536 217039733 /nfs/dbraw/zinc/03/97/33/217039733.db2.gz VTOBBNSBSAOJRF-UHFFFAOYSA-N 1 1 280.371 3.207 20 30 CGEDMO CCCC[C@H](C)[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000290032111 371884194 /nfs/dbraw/zinc/88/41/94/371884194.db2.gz VWDXOYRVRUTJQS-AWEZNQCLSA-N 1 1 287.407 3.397 20 30 CGEDMO Cc1ccc(O)c(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)n1 ZINC000154370106 371841056 /nfs/dbraw/zinc/84/10/56/371841056.db2.gz GVKUISLXEOBHLJ-UHFFFAOYSA-N 1 1 295.386 3.378 20 30 CGEDMO CC#CCC[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000155927488 371952388 /nfs/dbraw/zinc/95/23/88/371952388.db2.gz YAAVJUUNUFHWHS-QGZVFWFLSA-N 1 1 256.393 3.001 20 30 CGEDMO CC#CCC[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000155927611 371952906 /nfs/dbraw/zinc/95/29/06/371952906.db2.gz YAAVJUUNUFHWHS-KRWDZBQOSA-N 1 1 256.393 3.001 20 30 CGEDMO C=CCC[C@@H](CC)[NH2+][C@@H](C)c1noc(COC(C)C)n1 ZINC000290841555 372062350 /nfs/dbraw/zinc/06/23/50/372062350.db2.gz IJPSSCGFSWTQBI-QWHCGFSZSA-N 1 1 281.400 3.390 20 30 CGEDMO CCC[N@@H+](CC)C[C@@H](C)Nc1c(C#N)nnc2ccccc21 ZINC000290697654 372040888 /nfs/dbraw/zinc/04/08/88/372040888.db2.gz KHLNRCLQEVYOJL-CYBMUJFWSA-N 1 1 297.406 3.034 20 30 CGEDMO CC[N@@H+](CC1CC1)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000157983623 372045518 /nfs/dbraw/zinc/04/55/18/372045518.db2.gz BGWVBNONKMLHIS-HNNXBMFYSA-N 1 1 299.418 3.054 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCc3cccc(F)c3C2)c1 ZINC000158030487 372048205 /nfs/dbraw/zinc/04/82/05/372048205.db2.gz FJODDHQEDVOVTO-UHFFFAOYSA-N 1 1 266.319 3.256 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCc3cccc(F)c3C2)c1 ZINC000158030487 372048208 /nfs/dbraw/zinc/04/82/08/372048208.db2.gz FJODDHQEDVOVTO-UHFFFAOYSA-N 1 1 266.319 3.256 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](C)C(C1CC1)C1CC1 ZINC000157289957 372013461 /nfs/dbraw/zinc/01/34/61/372013461.db2.gz CRNZSVQCQUKFNR-UHFFFAOYSA-N 1 1 270.376 3.187 20 30 CGEDMO CCC[N@@H+](CC)C[C@@H](C)Nc1snc(Cl)c1C#N ZINC000290891269 372069567 /nfs/dbraw/zinc/06/95/67/372069567.db2.gz UBCIMXXBPPTMFY-SECBINFHSA-N 1 1 286.832 3.200 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(OCCOC)c(OC)c1 ZINC000159013899 372099059 /nfs/dbraw/zinc/09/90/59/372099059.db2.gz LWJLRVKWDSYWAO-UHFFFAOYSA-N 1 1 293.407 3.118 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000428390686 372188811 /nfs/dbraw/zinc/18/88/11/372188811.db2.gz UVBVNJMFVKUWLC-UHFFFAOYSA-N 1 1 277.261 3.385 20 30 CGEDMO CC(C)COC1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000428438684 372200664 /nfs/dbraw/zinc/20/06/64/372200664.db2.gz AIMUVMDJWOVAFR-UHFFFAOYSA-N 1 1 290.382 3.334 20 30 CGEDMO CC(C)C[C@H](C)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428773644 372264076 /nfs/dbraw/zinc/26/40/76/372264076.db2.gz SAJOERGYFVWUSN-GOEBONIOSA-N 1 1 287.407 3.089 20 30 CGEDMO CC(C)(C#N)CCC[N@@H+]1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000428947931 372288467 /nfs/dbraw/zinc/28/84/67/372288467.db2.gz UEMXJSSUIMUZAL-NSHDSACASA-N 1 1 292.345 3.358 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000428947931 372288471 /nfs/dbraw/zinc/28/84/71/372288471.db2.gz UEMXJSSUIMUZAL-NSHDSACASA-N 1 1 292.345 3.358 20 30 CGEDMO C=CCN(C)CC[N@@H+](CC)CCSc1ccccc1 ZINC000429729178 372377583 /nfs/dbraw/zinc/37/75/83/372377583.db2.gz YSZZAGWGUNLIQX-UHFFFAOYSA-N 1 1 278.465 3.218 20 30 CGEDMO C=CC[N@@H+](C)CCN(CC)CCSc1ccccc1 ZINC000429729178 372377586 /nfs/dbraw/zinc/37/75/86/372377586.db2.gz YSZZAGWGUNLIQX-UHFFFAOYSA-N 1 1 278.465 3.218 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)CCSc1ccccc1 ZINC000429729178 372377590 /nfs/dbraw/zinc/37/75/90/372377590.db2.gz YSZZAGWGUNLIQX-UHFFFAOYSA-N 1 1 278.465 3.218 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)CC#Cc1ccc(Cl)cc1 ZINC000429725074 372378100 /nfs/dbraw/zinc/37/81/00/372378100.db2.gz RLIWUWQEWWSXGI-UHFFFAOYSA-N 1 1 290.838 3.131 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000430277199 372388061 /nfs/dbraw/zinc/38/80/61/372388061.db2.gz LVRJEBQALSCNJR-YVSFHVDLSA-N 1 1 281.440 3.390 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430247575 372388151 /nfs/dbraw/zinc/38/81/51/372388151.db2.gz ZYXAOWGMYJDEEG-CYBMUJFWSA-N 1 1 276.336 3.144 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430247575 372388157 /nfs/dbraw/zinc/38/81/57/372388157.db2.gz ZYXAOWGMYJDEEG-CYBMUJFWSA-N 1 1 276.336 3.144 20 30 CGEDMO CCc1noc(C)c1C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000293827803 372494800 /nfs/dbraw/zinc/49/48/00/372494800.db2.gz WVRHZLUIJVAHOF-SNVBAGLBSA-N 1 1 287.338 3.407 20 30 CGEDMO Cc1ccncc1C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000344404359 217182654 /nfs/dbraw/zinc/18/26/54/217182654.db2.gz WYOJZKKZKRXSSX-LBPRGKRZSA-N 1 1 269.323 3.252 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@H](O)C(C)C ZINC000432936369 372575799 /nfs/dbraw/zinc/57/57/99/372575799.db2.gz FWMISJJGVOQMFD-LBPRGKRZSA-N 1 1 273.829 3.406 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000166713501 372580956 /nfs/dbraw/zinc/58/09/56/372580956.db2.gz COAYNZSHMBDPIL-RDBSUJKOSA-N 1 1 272.392 3.433 20 30 CGEDMO Cc1ccc([C@@H]2C[C@H](C)[N@H+](CCOCCC#N)C2)cc1 ZINC000294171819 372602615 /nfs/dbraw/zinc/60/26/15/372602615.db2.gz PYQWKUCNSAMXSZ-DOTOQJQBSA-N 1 1 272.392 3.103 20 30 CGEDMO C[C@@H](C1CC1)[N@@H+](Cc1ccc(F)cc1C#N)C1CC1 ZINC000171376932 372747667 /nfs/dbraw/zinc/74/76/67/372747667.db2.gz WOPBPIHVDMUESL-NSHDSACASA-N 1 1 258.340 3.460 20 30 CGEDMO CCC[N@@H+](Cc1cn2ccccc2c1C#N)C1CC1 ZINC000171680459 372806171 /nfs/dbraw/zinc/80/61/71/372806171.db2.gz MZCNFAXMTSKLMA-UHFFFAOYSA-N 1 1 253.349 3.185 20 30 CGEDMO C=CC[NH+](CC=C)Cc1ccc(Br)cn1 ZINC000171971538 372871856 /nfs/dbraw/zinc/87/18/56/372871856.db2.gz IUIQRMOPUHBPHA-UHFFFAOYSA-N 1 1 267.170 3.018 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)CC[C@H]1CCOC1 ZINC000438097570 372878712 /nfs/dbraw/zinc/87/87/12/372878712.db2.gz RDSBLUYZWQIFJA-HNNXBMFYSA-N 1 1 252.402 3.065 20 30 CGEDMO C=CC[N@H+](CCc1cccnc1)Cc1ccc(OC)cc1 ZINC000172075024 372895167 /nfs/dbraw/zinc/89/51/67/372895167.db2.gz MYAAOKIIJGHOMY-UHFFFAOYSA-N 1 1 282.387 3.321 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000439470613 372977985 /nfs/dbraw/zinc/97/79/85/372977985.db2.gz OEQXMPRBWGFYGB-XJKSGUPXSA-N 1 1 265.397 3.006 20 30 CGEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)CC1CCC1 ZINC000441278311 373000078 /nfs/dbraw/zinc/00/00/78/373000078.db2.gz RGHPCDYNHFAOLG-UHFFFAOYSA-N 1 1 260.337 3.383 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1C(C)(C)CC ZINC000441663974 373031448 /nfs/dbraw/zinc/03/14/48/373031448.db2.gz FGQFPJOWUZBECF-OAHLLOKOSA-N 1 1 278.440 3.088 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([NH2+]Cc2coc(-c3cccs3)n2)C1 ZINC000442789222 373081597 /nfs/dbraw/zinc/08/15/97/373081597.db2.gz JQMMGEGLDWYVQZ-GHMZBOCLSA-N 1 1 273.361 3.185 20 30 CGEDMO COc1cc(C[N@H+]2CCc3cccc(C)c3C2)ccc1C#N ZINC000443061810 373146266 /nfs/dbraw/zinc/14/62/66/373146266.db2.gz KFDFCLRSSMAHFA-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@H](C(C)C)C2)ccc1C#N ZINC000443070705 373149524 /nfs/dbraw/zinc/14/95/24/373149524.db2.gz OXTLYIUUZYCJAU-INIZCTEOSA-N 1 1 272.392 3.435 20 30 CGEDMO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000444652289 373221375 /nfs/dbraw/zinc/22/13/75/373221375.db2.gz REXFTKYSZKVLCB-AWEZNQCLSA-N 1 1 294.439 3.370 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H]1CCCC[C@@H]1CC ZINC000444663302 373223565 /nfs/dbraw/zinc/22/35/65/373223565.db2.gz KLBKCPZHVZWPMK-JKSUJKDBSA-N 1 1 278.440 3.088 20 30 CGEDMO CCOC(=O)C[N@@H+](CCCCC(C)(C)C#N)C1CCC1 ZINC000444680576 373232202 /nfs/dbraw/zinc/23/22/02/373232202.db2.gz PYYOYBGXWIWODC-UHFFFAOYSA-N 1 1 280.412 3.124 20 30 CGEDMO C=CC[C@@H]1[N@H+](Cc2cc(C(N)=O)cs2)CCCC1(C)C ZINC000446834512 373369288 /nfs/dbraw/zinc/36/92/88/373369288.db2.gz KOFLKILLAKGVLF-AWEZNQCLSA-N 1 1 292.448 3.414 20 30 CGEDMO C=C(C)C[N@@H+]1CCN(c2cccc3cnccc32)C[C@H]1C ZINC000447389989 373430460 /nfs/dbraw/zinc/43/04/60/373430460.db2.gz CIWAXOHHFUBFOL-OAHLLOKOSA-N 1 1 281.403 3.321 20 30 CGEDMO CN(CC[N@@H+](C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000353612786 220190732 /nfs/dbraw/zinc/19/07/32/220190732.db2.gz KUJNNVIMSBLBCZ-UHFFFAOYSA-N 1 1 279.387 3.126 20 30 CGEDMO CC[C@@H](NCC1([NH+](C)C)CCCC1)c1ccc(C#N)cc1 ZINC000447510579 373441127 /nfs/dbraw/zinc/44/11/27/373441127.db2.gz PVLZGBAPUHSZEX-QGZVFWFLSA-N 1 1 285.435 3.473 20 30 CGEDMO CC(C)(C)c1nnc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)s1 ZINC000447573746 373454828 /nfs/dbraw/zinc/45/48/28/373454828.db2.gz JAKRJPPQLBWDET-GHMZBOCLSA-N 1 1 278.425 3.008 20 30 CGEDMO CC(C)C[C@]1(C)CCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000449435553 373714717 /nfs/dbraw/zinc/71/47/17/373714717.db2.gz VZMMDULWKMNCDC-INIZCTEOSA-N 1 1 259.397 3.297 20 30 CGEDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc(C#N)cc1 ZINC000301121667 373669098 /nfs/dbraw/zinc/66/90/98/373669098.db2.gz YCOBAEYCJPGWKC-QLFBSQMISA-N 1 1 271.408 3.337 20 30 CGEDMO N#Cc1cccc(NC[C@H]2CCC[N@H+]2CC2CCCCC2)n1 ZINC000301284576 373728977 /nfs/dbraw/zinc/72/89/77/373728977.db2.gz QBRVXJPUVXOFAS-QGZVFWFLSA-N 1 1 298.434 3.410 20 30 CGEDMO C[C@@]12C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000449450406 373732133 /nfs/dbraw/zinc/73/21/33/373732133.db2.gz OMVFDHALGJYHKN-XDNAFOTISA-N 1 1 264.372 3.202 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]1c1cccn1C ZINC000178495674 373784844 /nfs/dbraw/zinc/78/48/44/373784844.db2.gz XSQMBVRZLJHIBN-QGZVFWFLSA-N 1 1 295.386 3.242 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](OCC)[C@H](C)C2)cc1 ZINC000449492357 373784962 /nfs/dbraw/zinc/78/49/62/373784962.db2.gz JBRDVCDHQJNQAJ-QAPCUYQASA-N 1 1 289.419 3.498 20 30 CGEDMO CCCc1csc(C[NH2+]Cc2ccc(C#N)c(F)c2)n1 ZINC000449735564 373862789 /nfs/dbraw/zinc/86/27/89/373862789.db2.gz IJCXXBMUBPFYAF-UHFFFAOYSA-N 1 1 289.379 3.396 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CCCC[N@@H+]2CC)CCCC1 ZINC000449859382 373945571 /nfs/dbraw/zinc/94/55/71/373945571.db2.gz WBBFAXVBDYMOEI-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC000449937820 373976939 /nfs/dbraw/zinc/97/69/39/373976939.db2.gz DAZHYIFHBLBYEL-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC1(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CCCCC1 ZINC000449987078 373980429 /nfs/dbraw/zinc/98/04/29/373980429.db2.gz PRKDGAGGQVVNOG-CVEARBPZSA-N 1 1 292.467 3.454 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)CC1(C#N)CCC1 ZINC000450299900 374048812 /nfs/dbraw/zinc/04/88/12/374048812.db2.gz FCEGDAXAESIMHS-UHFFFAOYSA-N 1 1 267.376 3.463 20 30 CGEDMO C[C@@H](NC[C@H](C)[NH+]1CCC(C)CC1)c1ccc(C#N)cc1 ZINC000181624388 374148020 /nfs/dbraw/zinc/14/80/20/374148020.db2.gz OTVFWWPEOYJIMG-JKSUJKDBSA-N 1 1 285.435 3.329 20 30 CGEDMO CC[N@@H+](Cc1cnoc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000181655085 374152501 /nfs/dbraw/zinc/15/25/01/374152501.db2.gz BPTVSNADQHJJIB-GFCCVEGCSA-N 1 1 269.348 3.438 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1ccn(CCc2ccccc2)n1 ZINC000450698571 374172535 /nfs/dbraw/zinc/17/25/35/374172535.db2.gz JKDKXVCLKLKFKY-UHFFFAOYSA-N 1 1 269.392 3.134 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccn(CCc2ccccc2)n1 ZINC000450698571 374172541 /nfs/dbraw/zinc/17/25/41/374172541.db2.gz JKDKXVCLKLKFKY-UHFFFAOYSA-N 1 1 269.392 3.134 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)CCCCC1 ZINC000450790522 374179208 /nfs/dbraw/zinc/17/92/08/374179208.db2.gz HJVBZJKLGYOLSU-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@@H+](C)Cc2cccnc2)cc1 ZINC000182033170 374207690 /nfs/dbraw/zinc/20/76/90/374207690.db2.gz OEMVBWXQEXMZCF-UHFFFAOYSA-N 1 1 294.402 3.063 20 30 CGEDMO N#CCC[N@@H+](CCCOCc1ccccc1)CC1CC1 ZINC000182436916 374273015 /nfs/dbraw/zinc/27/30/15/374273015.db2.gz BBVJLJNZASZMQK-UHFFFAOYSA-N 1 1 272.392 3.219 20 30 CGEDMO Cc1nc(NCCC[N@H+](C)C(C)C)c(Cl)cc1C#N ZINC000311625838 374248975 /nfs/dbraw/zinc/24/89/75/374248975.db2.gz XYKWYPQOURDLJQ-UHFFFAOYSA-N 1 1 280.803 3.057 20 30 CGEDMO C=CCOc1ccc(C[NH2+]Cc2oc(CC)nc2C)cc1 ZINC000314869803 374322740 /nfs/dbraw/zinc/32/27/40/374322740.db2.gz GWPONUOMGYKLQJ-UHFFFAOYSA-N 1 1 286.375 3.400 20 30 CGEDMO C[C@@H](C1CCC1)[N@@H+](C)CCOc1ccccc1C#N ZINC000325566312 374358423 /nfs/dbraw/zinc/35/84/23/374358423.db2.gz MYBKXTPFKWSPBF-ZDUSSCGKSA-N 1 1 258.365 3.057 20 30 CGEDMO C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000319638329 374347732 /nfs/dbraw/zinc/34/77/32/374347732.db2.gz OKURTZRXMQKHKG-RBSFLKMASA-N 1 1 299.418 3.253 20 30 CGEDMO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000319638324 374347749 /nfs/dbraw/zinc/34/77/49/374347749.db2.gz OKURTZRXMQKHKG-QLFBSQMISA-N 1 1 299.418 3.253 20 30 CGEDMO COc1ccc(C[NH2+]C[C@H](C)C#N)cc1OCCC(C)C ZINC000183834519 374463324 /nfs/dbraw/zinc/46/33/24/374463324.db2.gz XXPFZHQHTXCEGC-CQSZACIVSA-N 1 1 290.407 3.369 20 30 CGEDMO CCCc1ncc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)o1 ZINC000453378641 374465672 /nfs/dbraw/zinc/46/56/72/374465672.db2.gz KOPZTZBYQFWYGV-LLVKDONJSA-N 1 1 287.338 3.489 20 30 CGEDMO CC[C@@H]1CCC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000330803515 374489901 /nfs/dbraw/zinc/48/99/01/374489901.db2.gz KGGPYXRRMPLVKF-IUODEOHRSA-N 1 1 271.364 3.257 20 30 CGEDMO Cc1nc2c(s1)[C@H]([N@H+](C)CC1(C#N)CC1)CCC2 ZINC000334465053 374774010 /nfs/dbraw/zinc/77/40/10/374774010.db2.gz CDLVHWJCKRXIQN-GFCCVEGCSA-N 1 1 261.394 3.065 20 30 CGEDMO Cc1nc2c(s1)[C@H]([N@@H+](C)CC1(C#N)CC1)CCC2 ZINC000334465053 374774018 /nfs/dbraw/zinc/77/40/18/374774018.db2.gz CDLVHWJCKRXIQN-GFCCVEGCSA-N 1 1 261.394 3.065 20 30 CGEDMO C[C@@H]1Oc2cc(F)ccc2[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000334582772 374882248 /nfs/dbraw/zinc/88/22/48/374882248.db2.gz OIYUTCQKEJZVID-VFZGTOFNSA-N 1 1 288.347 3.371 20 30 CGEDMO C=CCC[N@@H+](C)Cc1csc(Nc2ccccc2)n1 ZINC000467293825 374973506 /nfs/dbraw/zinc/97/35/06/374973506.db2.gz PMQWPGNGCQKNRK-UHFFFAOYSA-N 1 1 273.405 3.317 20 30 CGEDMO C=CCC[N@H+](C)Cc1csc(Nc2ccccc2)n1 ZINC000467293825 374973513 /nfs/dbraw/zinc/97/35/13/374973513.db2.gz PMQWPGNGCQKNRK-UHFFFAOYSA-N 1 1 273.405 3.317 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000467299545 374974283 /nfs/dbraw/zinc/97/42/83/374974283.db2.gz LDNHLNMXLZIDQA-UHFFFAOYSA-N 1 1 287.190 3.440 20 30 CGEDMO C=CCNC(=O)C[N@@H+](Cc1ccccc1)[C@H](C)C(C)(C)C ZINC000469446246 374988669 /nfs/dbraw/zinc/98/86/69/374988669.db2.gz MGPTWPMJBFOXMU-OAHLLOKOSA-N 1 1 288.435 3.225 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000470760510 374999236 /nfs/dbraw/zinc/99/92/36/374999236.db2.gz CBNDVYGOWCHJQW-HNNXBMFYSA-N 1 1 263.356 3.208 20 30 CGEDMO C[N@@H+](Cc1ccc(F)cc1C#N)CC1(O)CCCCCC1 ZINC000187366119 375011110 /nfs/dbraw/zinc/01/11/10/375011110.db2.gz WEGCWVXAXLHKCH-UHFFFAOYSA-N 1 1 290.382 3.214 20 30 CGEDMO C[N@H+](Cc1ccc(Cl)cc1C#N)C[C@@H]1CCCC[C@@H]1O ZINC000187461813 375025346 /nfs/dbraw/zinc/02/53/46/375025346.db2.gz XJFZDTUYRCPYNA-BBRMVZONSA-N 1 1 292.810 3.195 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000472753754 375033047 /nfs/dbraw/zinc/03/30/47/375033047.db2.gz PVQDXQFBIXHLQJ-ZWKOTPCHSA-N 1 1 273.420 3.268 20 30 CGEDMO C=CC[N@@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000481826908 375168055 /nfs/dbraw/zinc/16/80/55/375168055.db2.gz WPQRPDPSGPGDNV-MCIONIFRSA-N 1 1 265.397 3.147 20 30 CGEDMO C=CC[N@@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000481826909 375168088 /nfs/dbraw/zinc/16/80/88/375168088.db2.gz WPQRPDPSGPGDNV-MJBXVCDLSA-N 1 1 265.397 3.147 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000483080939 375174522 /nfs/dbraw/zinc/17/45/22/375174522.db2.gz YOFXETYUSZVZEQ-BQFCYCMXSA-N 1 1 298.430 3.269 20 30 CGEDMO C=CC[N@H+](CCOC)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000483417962 375179368 /nfs/dbraw/zinc/17/93/68/375179368.db2.gz NRIQDZHPKHGABD-KAMYIIQDSA-N 1 1 290.363 3.133 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000483943396 375185406 /nfs/dbraw/zinc/18/54/06/375185406.db2.gz PWKCBIQEVMNPHR-IBGZPJMESA-N 1 1 261.368 3.355 20 30 CGEDMO Cc1nccnc1[C@@H](C)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000188258315 375185718 /nfs/dbraw/zinc/18/57/18/375185718.db2.gz WHXQTSYRNBORTM-GDBMZVCRSA-N 1 1 280.375 3.481 20 30 CGEDMO C=CC[N@H+](CC(=O)NC1CCCC1)CC1CCCCC1 ZINC000484670551 375189492 /nfs/dbraw/zinc/18/94/92/375189492.db2.gz OUPASGLVTMMCGQ-UHFFFAOYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1[C@H](C)CCC ZINC000486792652 375197820 /nfs/dbraw/zinc/19/78/20/375197820.db2.gz VIYNUUSZCDFBLF-HZPDHXFCSA-N 1 1 278.440 3.088 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)s1 ZINC000335420687 375278806 /nfs/dbraw/zinc/27/88/06/375278806.db2.gz DBKCOVSOMJPEKC-DOMZBBRYSA-N 1 1 276.405 3.011 20 30 CGEDMO CC1=C(C)C[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000335785394 375428287 /nfs/dbraw/zinc/42/82/87/375428287.db2.gz SMLYSNQUODJNLK-HNNXBMFYSA-N 1 1 269.348 3.177 20 30 CGEDMO CC1=C(C)C[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000335785394 375428292 /nfs/dbraw/zinc/42/82/92/375428292.db2.gz SMLYSNQUODJNLK-HNNXBMFYSA-N 1 1 269.348 3.177 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496371241 375531708 /nfs/dbraw/zinc/53/17/08/375531708.db2.gz YCPAZOUXRVEMGK-LSDHHAIUSA-N 1 1 294.439 3.284 20 30 CGEDMO C[C@H](CCC#N)[NH+]1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000496526556 375539929 /nfs/dbraw/zinc/53/99/29/375539929.db2.gz CWJCRKFIRXTEEP-RDBSUJKOSA-N 1 1 295.427 3.008 20 30 CGEDMO C=CC[N@@H+](C)CCOc1c(Cl)cccc1Cl ZINC000494643086 375489611 /nfs/dbraw/zinc/48/96/11/375489611.db2.gz MUCVYCZICCBENB-UHFFFAOYSA-N 1 1 260.164 3.490 20 30 CGEDMO C=CC[NH+](CC=C)[C@H](CNCc1cncc(F)c1)C(C)C ZINC000494543514 375490138 /nfs/dbraw/zinc/49/01/38/375490138.db2.gz BJQCLYASOCAGJU-QGZVFWFLSA-N 1 1 291.414 3.009 20 30 CGEDMO C=CC[N@@H+](C)[C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000494704709 375491762 /nfs/dbraw/zinc/49/17/62/375491762.db2.gz WFQQRXDMWNQZSL-SFHVURJKSA-N 1 1 294.398 3.162 20 30 CGEDMO C=CC[N@H+](C)[C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000494704709 375491771 /nfs/dbraw/zinc/49/17/71/375491771.db2.gz WFQQRXDMWNQZSL-SFHVURJKSA-N 1 1 294.398 3.162 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495721037 375502079 /nfs/dbraw/zinc/50/20/79/375502079.db2.gz XPSGVPHAWCLZTR-MRXNPFEDSA-N 1 1 282.428 3.189 20 30 CGEDMO C[C@H]1CSCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000190403958 375505109 /nfs/dbraw/zinc/50/51/09/375505109.db2.gz KZDYUVIOBBXKSD-LLVKDONJSA-N 1 1 280.824 3.397 20 30 CGEDMO C[C@H]1CSCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000190403958 375505114 /nfs/dbraw/zinc/50/51/14/375505114.db2.gz KZDYUVIOBBXKSD-LLVKDONJSA-N 1 1 280.824 3.397 20 30 CGEDMO CC1(C)C[N@@H+](CCCSCC#N)CC2(CCCC2)O1 ZINC000190978096 375557531 /nfs/dbraw/zinc/55/75/31/375557531.db2.gz DMBFATYTGHNILR-UHFFFAOYSA-N 1 1 282.453 3.057 20 30 CGEDMO CCC(C)(C)[C@@H]1CCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191422146 375626335 /nfs/dbraw/zinc/62/63/35/375626335.db2.gz OQXCXBASKFTIAH-HNNXBMFYSA-N 1 1 259.397 3.297 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@@H]2C2CCCC2)cc1C#N ZINC000191268675 375604143 /nfs/dbraw/zinc/60/41/43/375604143.db2.gz BBHGRMWNBNBKCM-MRXNPFEDSA-N 1 1 257.381 3.051 20 30 CGEDMO C[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000336006282 375611590 /nfs/dbraw/zinc/61/15/90/375611590.db2.gz HGZKJIPCOAYEHS-BONVTDFDSA-N 1 1 269.373 3.038 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1C[C@@H](C)OC[C@H]1CC ZINC000505608927 375659369 /nfs/dbraw/zinc/65/93/69/375659369.db2.gz HUVUOLWKDJDHSJ-GDBMZVCRSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1C[C@@H](C)OC[C@H]1CC ZINC000505608927 375659374 /nfs/dbraw/zinc/65/93/74/375659374.db2.gz HUVUOLWKDJDHSJ-GDBMZVCRSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1C[C@H](C)OC[C@@H]1CC ZINC000505608934 375659461 /nfs/dbraw/zinc/65/94/61/375659461.db2.gz HUVUOLWKDJDHSJ-HOCLYGCPSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1C[C@H](C)OC[C@@H]1CC ZINC000505608934 375659472 /nfs/dbraw/zinc/65/94/72/375659472.db2.gz HUVUOLWKDJDHSJ-HOCLYGCPSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccc(OC(C)C)c(OC)c1 ZINC000191758749 375659762 /nfs/dbraw/zinc/65/97/62/375659762.db2.gz YLZABDMNJZQIRN-UHFFFAOYSA-N 1 1 293.407 3.117 20 30 CGEDMO C=CC[N@@H+](CCOC)Cc1ccc(Cl)cc1F ZINC000191761767 375661549 /nfs/dbraw/zinc/66/15/49/375661549.db2.gz OSJIBPUIYSOHFI-UHFFFAOYSA-N 1 1 257.736 3.114 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccc(Cl)cc1F ZINC000191761767 375661550 /nfs/dbraw/zinc/66/15/50/375661550.db2.gz OSJIBPUIYSOHFI-UHFFFAOYSA-N 1 1 257.736 3.114 20 30 CGEDMO COc1ccccc1C[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000191905223 375675591 /nfs/dbraw/zinc/67/55/91/375675591.db2.gz KFTKOKZPXDBPML-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO COc1ccccc1C[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000191905223 375675596 /nfs/dbraw/zinc/67/55/96/375675596.db2.gz KFTKOKZPXDBPML-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO Cc1occc1C[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000191960173 375684660 /nfs/dbraw/zinc/68/46/60/375684660.db2.gz HCGGPPYKHMLJIB-UHFFFAOYSA-N 1 1 258.296 3.231 20 30 CGEDMO Cc1occc1C[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000191960173 375684663 /nfs/dbraw/zinc/68/46/63/375684663.db2.gz HCGGPPYKHMLJIB-UHFFFAOYSA-N 1 1 258.296 3.231 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)CCS1 ZINC000192186147 375707654 /nfs/dbraw/zinc/70/76/54/375707654.db2.gz NHASMUBONVQBJQ-NSHDSACASA-N 1 1 264.369 3.025 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000509618554 375782103 /nfs/dbraw/zinc/78/21/03/375782103.db2.gz DDAACSGPJWZVKR-ZDUSSCGKSA-N 1 1 253.386 3.006 20 30 CGEDMO C=C(C)CC[NH+]1CCN(CC2CCCCC2)CC1 ZINC000509327351 375778729 /nfs/dbraw/zinc/77/87/29/375778729.db2.gz KSWQAZBBSMXADA-UHFFFAOYSA-N 1 1 250.430 3.151 20 30 CGEDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000512463186 375796709 /nfs/dbraw/zinc/79/67/09/375796709.db2.gz OZPNVIZYENDREM-MAUKXSAKSA-N 1 1 289.394 3.193 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000515206156 375811720 /nfs/dbraw/zinc/81/17/20/375811720.db2.gz HKCPFLLMMPRWAK-LBPRGKRZSA-N 1 1 265.319 3.386 20 30 CGEDMO CC1(C)C[N@H+](Cc2cccc(C#N)c2F)[C@@H]1[C@H]1CCCO1 ZINC000336395114 375787260 /nfs/dbraw/zinc/78/72/60/375787260.db2.gz FSZVRKNVLGUOBT-GDBMZVCRSA-N 1 1 288.366 3.087 20 30 CGEDMO CC1(C)C[N@@H+](Cc2cccc(C#N)c2F)[C@@H]1[C@H]1CCCO1 ZINC000336395114 375787263 /nfs/dbraw/zinc/78/72/63/375787263.db2.gz FSZVRKNVLGUOBT-GDBMZVCRSA-N 1 1 288.366 3.087 20 30 CGEDMO C=C(C)CC[N@@H+](C[C@H](O)COc1ccccc1)C(C)C ZINC000510808210 375788509 /nfs/dbraw/zinc/78/85/09/375788509.db2.gz FONAXECTTSCBJZ-INIZCTEOSA-N 1 1 277.408 3.103 20 30 CGEDMO CC[C@H](C[NH2+]CCC#N)Oc1cccc(C(F)(F)F)c1 ZINC000520567694 375864536 /nfs/dbraw/zinc/86/45/36/375864536.db2.gz TUMRJDNGMDOHIZ-GFCCVEGCSA-N 1 1 286.297 3.366 20 30 CGEDMO COCC[N@H+](Cc1ccc(C)o1)Cc1cccc(C#N)c1 ZINC000193465045 375881747 /nfs/dbraw/zinc/88/17/47/375881747.db2.gz YCZVEBHKQSPRDA-UHFFFAOYSA-N 1 1 284.359 3.108 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C)o1)Cc1cccc(C#N)c1 ZINC000193465045 375881758 /nfs/dbraw/zinc/88/17/58/375881758.db2.gz YCZVEBHKQSPRDA-UHFFFAOYSA-N 1 1 284.359 3.108 20 30 CGEDMO CCCCC[N@@H+](CC(=O)NC1(C#N)CCC1)[C@H](C)CCC ZINC000526291306 375890643 /nfs/dbraw/zinc/89/06/43/375890643.db2.gz UKSQJCSQAUALIV-OAHLLOKOSA-N 1 1 293.455 3.230 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@H](c3ccccc3)CC2)CC1 ZINC000528367898 375900674 /nfs/dbraw/zinc/90/06/74/375900674.db2.gz JTGJXSKCRKNBLD-ZWKOTPCHSA-N 1 1 298.430 3.311 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000529719765 375934100 /nfs/dbraw/zinc/93/41/00/375934100.db2.gz QCYLDXPFRRSEEU-NVXWUHKLSA-N 1 1 278.440 3.112 20 30 CGEDMO N#CCC[N@H+](CC1CC1)C[C@@H]1CCC2(CCCC2)O1 ZINC000530358303 375940937 /nfs/dbraw/zinc/94/09/37/375940937.db2.gz HUWUFHKDBRMWOA-HNNXBMFYSA-N 1 1 262.397 3.104 20 30 CGEDMO N#CCC[N@@H+](CC1CC1)C[C@@H]1CCC2(CCCC2)O1 ZINC000530358303 375940941 /nfs/dbraw/zinc/94/09/41/375940941.db2.gz HUWUFHKDBRMWOA-HNNXBMFYSA-N 1 1 262.397 3.104 20 30 CGEDMO C=CCCCCCN(C)C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000531485077 375946294 /nfs/dbraw/zinc/94/62/94/375946294.db2.gz IOVNFGANFGNYHQ-MRXNPFEDSA-N 1 1 295.471 3.105 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000532124337 375949289 /nfs/dbraw/zinc/94/92/89/375949289.db2.gz ZNMTXJYOQZFBER-VGWMRTNUSA-N 1 1 251.414 3.214 20 30 CGEDMO C=CCN1CC[C@@H]([N@H+](C)Cc2ccc(C(C)C)cc2)C1=O ZINC000337129068 376089322 /nfs/dbraw/zinc/08/93/22/376089322.db2.gz IRJHOANGJTYXQR-QGZVFWFLSA-N 1 1 286.419 3.029 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCn1c2ccccc2[nH]c1=O ZINC000536540525 376095038 /nfs/dbraw/zinc/09/50/38/376095038.db2.gz ADBACTURLXGTNE-UHFFFAOYSA-N 1 1 273.380 3.030 20 30 CGEDMO C[C@@H]([N@@H+](C)CCCC1(C#N)CCOCC1)C1(C)CC1 ZINC000337174194 376115771 /nfs/dbraw/zinc/11/57/71/376115771.db2.gz HQUKWKYTZBSKLW-CQSZACIVSA-N 1 1 264.413 3.207 20 30 CGEDMO C=CCCc1ccccc1NC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000337525238 376226916 /nfs/dbraw/zinc/22/69/16/376226916.db2.gz BBSDGXAWEDIDQK-UHFFFAOYSA-N 1 1 299.418 3.189 20 30 CGEDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cccc(C#N)c1F ZINC000222572006 376238434 /nfs/dbraw/zinc/23/84/34/376238434.db2.gz MPOHCWUYOAGAEK-CJNGLKHVSA-N 1 1 290.382 3.213 20 30 CGEDMO C=CC[C@@H](CC)NC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000539703283 376325801 /nfs/dbraw/zinc/32/58/01/376325801.db2.gz MGASVJLEOGFURP-HUUCEWRRSA-N 1 1 295.471 3.151 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000539834626 376340148 /nfs/dbraw/zinc/34/01/48/376340148.db2.gz IYRCUFCXRYPZQC-GASCZTMLSA-N 1 1 257.377 3.339 20 30 CGEDMO Cc1ccc2nc(C[NH2+][C@@H](C)c3ccc(C#N)cc3)cn2c1 ZINC000338346268 376343119 /nfs/dbraw/zinc/34/31/19/376343119.db2.gz KZJUJRASEWTJCU-AWEZNQCLSA-N 1 1 290.370 3.365 20 30 CGEDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(C#N)cc1 ZINC000338345615 376343340 /nfs/dbraw/zinc/34/33/40/376343340.db2.gz FSLCEDBYWBWHGK-UHFFFAOYSA-N 1 1 295.342 3.141 20 30 CGEDMO N#Cc1cccc(OCC[N@H+]2CCC[C@H]3CCC[C@H]32)c1 ZINC000228012538 376422666 /nfs/dbraw/zinc/42/26/66/376422666.db2.gz MXXNHEJYVSTCTR-NVXWUHKLSA-N 1 1 270.376 3.202 20 30 CGEDMO COc1cccc([C@H](C)[NH2+]Cc2ccccc2C#N)c1 ZINC000229804702 376472077 /nfs/dbraw/zinc/47/20/77/376472077.db2.gz XKMJUWUBECANPB-ZDUSSCGKSA-N 1 1 266.344 3.418 20 30 CGEDMO N#Cc1ccc(C(F)(F)F)c(NCC[N@@H+]2CC=CCC2)c1 ZINC000338713646 376496624 /nfs/dbraw/zinc/49/66/24/376496624.db2.gz UEEXSZAIGYGPOE-UHFFFAOYSA-N 1 1 295.308 3.251 20 30 CGEDMO COC(=O)c1cccc(C[N@@H+](C)C[C@@H]2CC=CCC2)c1C#N ZINC000542248328 376524002 /nfs/dbraw/zinc/52/40/02/376524002.db2.gz NCYSHLXYDKDIMP-CQSZACIVSA-N 1 1 298.386 3.133 20 30 CGEDMO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000334310976 206349616 /nfs/dbraw/zinc/34/96/16/206349616.db2.gz QAYAFVWOMWABPG-QGZVFWFLSA-N 1 1 288.366 3.090 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000334310976 206349620 /nfs/dbraw/zinc/34/96/20/206349620.db2.gz QAYAFVWOMWABPG-QGZVFWFLSA-N 1 1 288.366 3.090 20 30 CGEDMO COc1cc(C[N@H+]2CC[C@@H](C(C)(C)C)C2)ccc1C#N ZINC000234992571 376627747 /nfs/dbraw/zinc/62/77/47/376627747.db2.gz BIEFBMUADDTATQ-OAHLLOKOSA-N 1 1 272.392 3.435 20 30 CGEDMO COc1cc(C[N@H+]2C[C@H](C)CC[C@@H]2C)ccc1C#N ZINC000235008860 376629909 /nfs/dbraw/zinc/62/99/09/376629909.db2.gz CCATXZQKULHXFW-OLZOCXBDSA-N 1 1 258.365 3.187 20 30 CGEDMO CCO[C@H]1CCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000135090558 542086391 /nfs/dbraw/zinc/08/63/91/542086391.db2.gz UQFDCOWLSBONAC-HNNXBMFYSA-N 1 1 277.795 3.192 20 30 CGEDMO CCO[C@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000135090558 542086397 /nfs/dbraw/zinc/08/63/97/542086397.db2.gz UQFDCOWLSBONAC-HNNXBMFYSA-N 1 1 277.795 3.192 20 30 CGEDMO C[C@H](C#N)C[N@H+](C[C@@H](C)Cc1ccccc1)C1CC1 ZINC000544405912 376731202 /nfs/dbraw/zinc/73/12/02/376731202.db2.gz VKZPUFLESCPYFT-LSDHHAIUSA-N 1 1 256.393 3.489 20 30 CGEDMO C[C@@H](C[N@H+](CCC(C)(C)C#N)[C@@H](C)CO)c1ccccc1 ZINC000554279964 376849980 /nfs/dbraw/zinc/84/99/80/376849980.db2.gz TUIUOIPLKBANAH-HOTGVXAUSA-N 1 1 288.435 3.413 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccnc(OC)c1 ZINC000339870037 376870152 /nfs/dbraw/zinc/87/01/52/376870152.db2.gz XBRDCFQGFTZICY-UHFFFAOYSA-N 1 1 298.386 3.287 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccnc(OC)c1 ZINC000339870037 376870165 /nfs/dbraw/zinc/87/01/65/376870165.db2.gz XBRDCFQGFTZICY-UHFFFAOYSA-N 1 1 298.386 3.287 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000246025742 376954627 /nfs/dbraw/zinc/95/46/27/376954627.db2.gz ONVRORRVHAYSCS-IRXDYDNUSA-N 1 1 277.383 3.160 20 30 CGEDMO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000246524485 377047809 /nfs/dbraw/zinc/04/78/09/377047809.db2.gz JBATXTWGUOMLCI-NVXWUHKLSA-N 1 1 282.391 3.006 20 30 CGEDMO N#CCC[C@H](C#N)C[N@H+]1CCC[C@@H](Nc2ccccc2)C1 ZINC000246524485 377047814 /nfs/dbraw/zinc/04/78/14/377047814.db2.gz JBATXTWGUOMLCI-NVXWUHKLSA-N 1 1 282.391 3.006 20 30 CGEDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000246203555 376987455 /nfs/dbraw/zinc/98/74/55/376987455.db2.gz WKCBDCMBNGMBTE-FRFSOERESA-N 1 1 297.402 3.150 20 30 CGEDMO CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000246920202 377119373 /nfs/dbraw/zinc/11/93/73/377119373.db2.gz BGDPYHOKCAXMKQ-HUUCEWRRSA-N 1 1 299.418 3.397 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000247263682 377185215 /nfs/dbraw/zinc/18/52/15/377185215.db2.gz GMPIOTGGQUNYKF-RDJZCZTQSA-N 1 1 261.409 3.185 20 30 CGEDMO CN1CC[N@H+](Cc2cccc(C#N)c2F)Cc2ccccc21 ZINC000340944665 377331189 /nfs/dbraw/zinc/33/11/89/377331189.db2.gz BEMYIDWSRDHIPQ-UHFFFAOYSA-N 1 1 295.361 3.149 20 30 CGEDMO CN1CC[N@@H+](Cc2cccc(C#N)c2F)Cc2ccccc21 ZINC000340944665 377331194 /nfs/dbraw/zinc/33/11/94/377331194.db2.gz BEMYIDWSRDHIPQ-UHFFFAOYSA-N 1 1 295.361 3.149 20 30 CGEDMO C=CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248174460 377278123 /nfs/dbraw/zinc/27/81/23/377278123.db2.gz VJOGCYMZOWDWCQ-ZWKOTPCHSA-N 1 1 270.420 3.159 20 30 CGEDMO C=CCN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248174460 377278128 /nfs/dbraw/zinc/27/81/28/377278128.db2.gz VJOGCYMZOWDWCQ-ZWKOTPCHSA-N 1 1 270.420 3.159 20 30 CGEDMO CSC[C@H]1CCC[N@H+]1Cc1cccc(C#N)c1F ZINC000340886070 377302838 /nfs/dbraw/zinc/30/28/38/377302838.db2.gz FTUOVQGFIITMBZ-CYBMUJFWSA-N 1 1 264.369 3.025 20 30 CGEDMO CC[N@@H+](CCCc1cccc(OC)c1)C[C@H](C)C#N ZINC000562808504 377363502 /nfs/dbraw/zinc/36/35/02/377363502.db2.gz UTECRSOWYYYPBM-CQSZACIVSA-N 1 1 260.381 3.109 20 30 CGEDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000248890394 377422901 /nfs/dbraw/zinc/42/29/01/377422901.db2.gz RZJYHPAHLLTBFC-IVMMDQJWSA-N 1 1 257.381 3.050 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCS[C@H](C)CC1 ZINC000249035186 377446742 /nfs/dbraw/zinc/44/67/42/377446742.db2.gz MMTIFGPKZHCDGT-CHWSQXEVSA-N 1 1 260.406 3.447 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCC3(CCCCC3)C2)nc1 ZINC000563354215 377446941 /nfs/dbraw/zinc/44/69/41/377446941.db2.gz HUYJHAHNGZSLFW-UHFFFAOYSA-N 1 1 269.392 3.500 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000249255896 377483434 /nfs/dbraw/zinc/48/34/34/377483434.db2.gz GJPGDQUTECYDPD-XOKHGSTOSA-N 1 1 272.392 3.102 20 30 CGEDMO C=CCCCCCNC(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000565210103 377485127 /nfs/dbraw/zinc/48/51/27/377485127.db2.gz YZZLBIPIHCLHNF-OAHLLOKOSA-N 1 1 266.429 3.114 20 30 CGEDMO CO[C@@H](C[NH2+]C[C@@H](C#N)CCC#N)c1cccc(Cl)c1 ZINC000565593440 377488139 /nfs/dbraw/zinc/48/81/39/377488139.db2.gz GQYRSOUTRPIIAA-DOMZBBRYSA-N 1 1 291.782 3.061 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000088704581 249027357 /nfs/dbraw/zinc/02/73/57/249027357.db2.gz BPVMNDVGRNXWPE-CABCVRRESA-N 1 1 272.392 3.448 20 30 CGEDMO C=CCCCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000570898128 377539288 /nfs/dbraw/zinc/53/92/88/377539288.db2.gz IIPDEZOOGVSEMU-UHFFFAOYSA-N 1 1 260.337 3.309 20 30 CGEDMO C[C@@H]([N@@H+](C)CCOc1ccc(C#N)cc1)C1(C)CC1 ZINC000177219054 249053323 /nfs/dbraw/zinc/05/33/23/249053323.db2.gz ILLDYQUXCGAVNA-CYBMUJFWSA-N 1 1 258.365 3.057 20 30 CGEDMO C=CC[C@H]1[N@H+](Cc2nnnn2CCCC)CCCC1(C)C ZINC000569895867 377531205 /nfs/dbraw/zinc/53/12/05/377531205.db2.gz FWRKHRIYCPMZFU-CQSZACIVSA-N 1 1 291.443 3.040 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2nnnn2CCCC)CCCC1(C)C ZINC000569895867 377531211 /nfs/dbraw/zinc/53/12/11/377531211.db2.gz FWRKHRIYCPMZFU-CQSZACIVSA-N 1 1 291.443 3.040 20 30 CGEDMO C[C@@H]1Cc2[nH+]cn(Cc3cccc(C#N)c3)c2C[C@H]1C ZINC000313370993 249091433 /nfs/dbraw/zinc/09/14/33/249091433.db2.gz PSVRDOHFBKXGIC-CHWSQXEVSA-N 1 1 265.360 3.174 20 30 CGEDMO CCCC[C@H](C)[N@@H+](C)CCOc1ccc(C#N)cc1OC ZINC000515505879 249213842 /nfs/dbraw/zinc/21/38/42/249213842.db2.gz WLKZOQSYHCDWPS-AWEZNQCLSA-N 1 1 290.407 3.456 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000265436936 190182370 /nfs/dbraw/zinc/18/23/70/190182370.db2.gz HCXMYVIDCXZGPC-CYBMUJFWSA-N 1 1 281.421 3.049 20 30 CGEDMO Cc1cc([C@@H](C)[NH2+]C[C@H](C#N)CCC#N)ccc1F ZINC000342338488 377641332 /nfs/dbraw/zinc/64/13/32/377641332.db2.gz NSNGGMUUPFJJEU-OLZOCXBDSA-N 1 1 259.328 3.228 20 30 CGEDMO C=C(CC)C[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253096784 377676108 /nfs/dbraw/zinc/67/61/08/377676108.db2.gz QVHYERCIJDTTHD-OAGGEKHMSA-N 1 1 251.414 3.358 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCCC[C@H]1C1(O)CC1 ZINC000575101730 377748255 /nfs/dbraw/zinc/74/82/55/377748255.db2.gz CYHYRHBICFAMIR-HNNXBMFYSA-N 1 1 290.794 3.091 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCC[C@H]1C1(O)CC1 ZINC000575101730 377748258 /nfs/dbraw/zinc/74/82/58/377748258.db2.gz CYHYRHBICFAMIR-HNNXBMFYSA-N 1 1 290.794 3.091 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)N(CCC)Cc1ccc(C)cc1 ZINC000342727161 377757704 /nfs/dbraw/zinc/75/77/04/377757704.db2.gz AZNUHJXTXJXNKK-UHFFFAOYSA-N 1 1 288.435 3.242 20 30 CGEDMO C=CCCNc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000265869003 190214004 /nfs/dbraw/zinc/21/40/04/190214004.db2.gz UZNUCFXIZVANPM-CQSZACIVSA-N 1 1 260.381 3.068 20 30 CGEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CC2(C#N)CC2)C12CCCCC2 ZINC000343322536 377953589 /nfs/dbraw/zinc/95/35/89/377953589.db2.gz QPUWZDPKPJAHHM-HUUCEWRRSA-N 1 1 276.424 3.350 20 30 CGEDMO CN(C)c1cccc(C[N@@H+](C)Cc2ccc(CC#N)cc2)c1 ZINC000343413031 377974547 /nfs/dbraw/zinc/97/45/47/377974547.db2.gz GXJNCNBQXQMVJO-UHFFFAOYSA-N 1 1 293.414 3.451 20 30 CGEDMO C#CC[N@H+]1CCC[C@@H]1c1nc2ccccc2n1C(C)C ZINC000267372402 378037722 /nfs/dbraw/zinc/03/77/22/378037722.db2.gz SAKNLBKFQGERBR-MRXNPFEDSA-N 1 1 267.376 3.387 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H]1c1nc2ccccc2n1C(C)C ZINC000267372402 378037725 /nfs/dbraw/zinc/03/77/25/378037725.db2.gz SAKNLBKFQGERBR-MRXNPFEDSA-N 1 1 267.376 3.387 20 30 CGEDMO N#CCC[N@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000267448309 378038893 /nfs/dbraw/zinc/03/88/93/378038893.db2.gz LCWCEBPSKKTXHS-UONOGXRCSA-N 1 1 278.421 3.330 20 30 CGEDMO N#CCC[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000267448309 378038899 /nfs/dbraw/zinc/03/88/99/378038899.db2.gz LCWCEBPSKKTXHS-UONOGXRCSA-N 1 1 278.421 3.330 20 30 CGEDMO C=CCNC(=O)[C@@H](C)[N@@H+](CC)Cc1ccc2ccccc2c1 ZINC000343640595 378050811 /nfs/dbraw/zinc/05/08/11/378050811.db2.gz FYCLNTAYUVSUPG-OAHLLOKOSA-N 1 1 296.414 3.352 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCC[C@@H]2c2ccncc2)cc1 ZINC000343725236 378075614 /nfs/dbraw/zinc/07/56/14/378075614.db2.gz NKPYRMUGCUHVCG-GOSISDBHSA-N 1 1 277.371 3.485 20 30 CGEDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1nc(C#N)cs1 ZINC000579019914 378123395 /nfs/dbraw/zinc/12/33/95/378123395.db2.gz RWVRMHXBNKMGHC-NQBHXWOUSA-N 1 1 261.394 3.168 20 30 CGEDMO CC(C)(C)[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000268672887 378089487 /nfs/dbraw/zinc/08/94/87/378089487.db2.gz KNZBFSSPTBPWBY-CVEARBPZSA-N 1 1 272.392 3.102 20 30 CGEDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000268736505 378098505 /nfs/dbraw/zinc/09/85/05/378098505.db2.gz YKRNTMIBCHFVAC-RNJTYBCJSA-N 1 1 284.403 3.245 20 30 CGEDMO CCCc1[nH+]ccn1Cc1cn2ccccc2c1C#N ZINC000269381135 378215012 /nfs/dbraw/zinc/21/50/12/378215012.db2.gz SEUCDRUYOURNRD-UHFFFAOYSA-N 1 1 264.332 3.008 20 30 CGEDMO C=CC[NH+]1CCC(N[C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000269878374 378276637 /nfs/dbraw/zinc/27/66/37/378276637.db2.gz QQRZBLPQQCJKDM-MRXNPFEDSA-N 1 1 292.373 3.192 20 30 CGEDMO N#Cc1ccccc1OCC[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000270194699 378319590 /nfs/dbraw/zinc/31/95/90/378319590.db2.gz OAGCCFYAPCVFCS-UHFFFAOYSA-N 1 1 296.292 3.131 20 30 CGEDMO N#Cc1ccccc1OCC[N@@H+]1CC=C(C(F)(F)F)CC1 ZINC000270194699 378319598 /nfs/dbraw/zinc/31/95/98/378319598.db2.gz OAGCCFYAPCVFCS-UHFFFAOYSA-N 1 1 296.292 3.131 20 30 CGEDMO C#CCCC[N@H+](Cc1ccccc1OC)C[C@H]1CCCO1 ZINC000271077759 378448798 /nfs/dbraw/zinc/44/87/98/378448798.db2.gz XHKFPGWMNCJTHM-QGZVFWFLSA-N 1 1 287.403 3.090 20 30 CGEDMO C#CCCC[N@H+](C)[C@H](C)c1sc(CC)nc1C ZINC000271027087 378431835 /nfs/dbraw/zinc/43/18/35/378431835.db2.gz KEQGSLCXFIMGHT-GFCCVEGCSA-N 1 1 250.411 3.420 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)Cc1ccc2c(c1)ncn2C ZINC000271738653 378503044 /nfs/dbraw/zinc/50/30/44/378503044.db2.gz PWCBPTGSLMOTDX-UHFFFAOYSA-N 1 1 284.407 3.335 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)Cc1ccc2c(c1)ncn2C ZINC000271738653 378503049 /nfs/dbraw/zinc/50/30/49/378503049.db2.gz PWCBPTGSLMOTDX-UHFFFAOYSA-N 1 1 284.407 3.335 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)C[C@@H](OC)C1CCOCC1 ZINC000637870570 378608689 /nfs/dbraw/zinc/60/86/89/378608689.db2.gz CDTVAOYKKZVGKD-MRXNPFEDSA-N 1 1 295.448 3.178 20 30 CGEDMO C=C(CN[C@@H]1CC[N@@H+](CC)C[C@H]1C)c1ccccc1 ZINC000346774759 378688019 /nfs/dbraw/zinc/68/80/19/378688019.db2.gz GZEKDULBGHLKET-NVXWUHKLSA-N 1 1 258.409 3.020 20 30 CGEDMO C=C(CN[C@@H]1CC[N@H+](CC)C[C@H]1C)c1ccccc1 ZINC000346774759 378688024 /nfs/dbraw/zinc/68/80/24/378688024.db2.gz GZEKDULBGHLKET-NVXWUHKLSA-N 1 1 258.409 3.020 20 30 CGEDMO C=C(C[NH2+][C@@H]1CCN(CC)C[C@H]1C)c1ccccc1 ZINC000346774759 378688028 /nfs/dbraw/zinc/68/80/28/378688028.db2.gz GZEKDULBGHLKET-NVXWUHKLSA-N 1 1 258.409 3.020 20 30 CGEDMO C=CCOCCC[N@@H+]1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000348049684 378765704 /nfs/dbraw/zinc/76/57/04/378765704.db2.gz JBXBJMPSPVPZEZ-DOTOQJQBSA-N 1 1 275.392 3.041 20 30 CGEDMO C=CCOCCC[N@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000348063585 378772572 /nfs/dbraw/zinc/77/25/72/378772572.db2.gz WNLKGCMVQXPQPF-UHFFFAOYSA-N 1 1 285.391 3.005 20 30 CGEDMO C=CCOCCC[N@@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000348063585 378772577 /nfs/dbraw/zinc/77/25/77/378772577.db2.gz WNLKGCMVQXPQPF-UHFFFAOYSA-N 1 1 285.391 3.005 20 30 CGEDMO C=CCOCCC[N@H+]1CCc2c(F)cc(F)cc2[C@H]1C ZINC000348062043 378772869 /nfs/dbraw/zinc/77/28/69/378772869.db2.gz ZWPSFGUFFKHOQS-GFCCVEGCSA-N 1 1 281.346 3.477 20 30 CGEDMO C=CCOCCC[N@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000348029063 378758409 /nfs/dbraw/zinc/75/84/09/378758409.db2.gz GTYCXMBLUPVQDY-AWEZNQCLSA-N 1 1 293.432 3.378 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000348191803 378831336 /nfs/dbraw/zinc/83/13/36/378831336.db2.gz FJPIIRXZWSTDQA-LLVKDONJSA-N 1 1 265.319 3.242 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(CC)nc1 ZINC000348128781 378803306 /nfs/dbraw/zinc/80/33/06/378803306.db2.gz BXWQCNLMIWQQGV-UHFFFAOYSA-N 1 1 270.376 3.468 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCc2cc(OC)c(OC)cc21 ZINC000638910116 378949029 /nfs/dbraw/zinc/94/90/29/378949029.db2.gz NHCCOBJXUQUILW-AWEZNQCLSA-N 1 1 261.365 3.199 20 30 CGEDMO C=C(CC)C[NH2+][C@@H](C)c1nc(C)c(C(=O)OCC)s1 ZINC000348513328 378972734 /nfs/dbraw/zinc/97/27/34/378972734.db2.gz JIGZGPXWKRSPAE-NSHDSACASA-N 1 1 282.409 3.245 20 30 CGEDMO Cn1cc(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)cc1C#N ZINC000276787899 378998150 /nfs/dbraw/zinc/99/81/50/378998150.db2.gz RZDXYVCFBIRAPM-HNNXBMFYSA-N 1 1 283.350 3.025 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000276828473 379003027 /nfs/dbraw/zinc/00/30/27/379003027.db2.gz ARZYAQSOMKNLGB-SNVBAGLBSA-N 1 1 279.181 3.163 20 30 CGEDMO N#Cc1ccccc1OCC[N@H+]1CC[C@H](c2ccco2)C1 ZINC000370290840 379003586 /nfs/dbraw/zinc/00/35/86/379003586.db2.gz XCGRCFHWHGCHGG-HNNXBMFYSA-N 1 1 282.343 3.020 20 30 CGEDMO CCC[N@H+](CCN1CCCCC1)Cc1ccc(C#N)s1 ZINC000348878908 379095529 /nfs/dbraw/zinc/09/55/29/379095529.db2.gz RFOYNXPDJPWSCJ-UHFFFAOYSA-N 1 1 291.464 3.318 20 30 CGEDMO CCC[N@@H+](CCN1CCCCC1)Cc1ccc(C#N)s1 ZINC000348878908 379095539 /nfs/dbraw/zinc/09/55/39/379095539.db2.gz RFOYNXPDJPWSCJ-UHFFFAOYSA-N 1 1 291.464 3.318 20 30 CGEDMO Cc1cnc(C2CC[NH+](Cc3ccc(C#N)o3)CC2)s1 ZINC000277324389 379131261 /nfs/dbraw/zinc/13/12/61/379131261.db2.gz CHAHYCJLPXLLEQ-UHFFFAOYSA-N 1 1 287.388 3.296 20 30 CGEDMO N#CCCCCN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000371495441 379164639 /nfs/dbraw/zinc/16/46/39/379164639.db2.gz QCZHADAGHXLTEZ-UHFFFAOYSA-N 1 1 277.456 3.268 20 30 CGEDMO CCN(CCC#N)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000371566091 379168325 /nfs/dbraw/zinc/16/83/25/379168325.db2.gz RPQXBGXAVCHEEW-NVXWUHKLSA-N 1 1 271.408 3.057 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(F)nc1C ZINC000278790429 194157055 /nfs/dbraw/zinc/15/70/55/194157055.db2.gz VTRWENSGWKLYGN-UHFFFAOYSA-N 1 1 274.339 3.353 20 30 CGEDMO C=CC[C@H]1[N@H+](Cc2noc(CC)n2)CCCC1(C)C ZINC000277778859 379232661 /nfs/dbraw/zinc/23/26/61/379232661.db2.gz NQMKZXIDJUOZDR-GFCCVEGCSA-N 1 1 263.385 3.199 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2noc(CC)n2)CCCC1(C)C ZINC000277778859 379232671 /nfs/dbraw/zinc/23/26/71/379232671.db2.gz NQMKZXIDJUOZDR-GFCCVEGCSA-N 1 1 263.385 3.199 20 30 CGEDMO CC[C@H](NCCC[N@H+](C)C(C)C)c1ccc(C#N)cc1 ZINC000278298211 379339503 /nfs/dbraw/zinc/33/95/03/379339503.db2.gz RPEHNRFVWVXLHO-KRWDZBQOSA-N 1 1 273.424 3.329 20 30 CGEDMO CC[C@H](NCCC[N@@H+](C)C(C)C)c1ccc(C#N)cc1 ZINC000278298211 379339515 /nfs/dbraw/zinc/33/95/15/379339515.db2.gz RPEHNRFVWVXLHO-KRWDZBQOSA-N 1 1 273.424 3.329 20 30 CGEDMO Cc1ccc(-c2nc(C[NH2+][C@@H]3CC[C@@H](C#N)C3)co2)cc1 ZINC000349792913 379387419 /nfs/dbraw/zinc/38/74/19/379387419.db2.gz SWRZHWNGPWBMEB-UKRRQHHQSA-N 1 1 281.359 3.432 20 30 CGEDMO C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000375016622 379484192 /nfs/dbraw/zinc/48/41/92/379484192.db2.gz YWKVUKBIGAHZCY-UHFFFAOYSA-N 1 1 294.439 3.286 20 30 CGEDMO C=CC[N@@H+](Cc1c(C(C)C)nc2sc(C)nn12)C1CC1 ZINC000350269818 379532337 /nfs/dbraw/zinc/53/23/37/379532337.db2.gz SBRUXCZVWLJMSV-UHFFFAOYSA-N 1 1 290.436 3.373 20 30 CGEDMO C=CC[N@H+](Cc1c(C(C)C)nc2sc(C)nn12)C1CC1 ZINC000350269818 379532347 /nfs/dbraw/zinc/53/23/47/379532347.db2.gz SBRUXCZVWLJMSV-UHFFFAOYSA-N 1 1 290.436 3.373 20 30 CGEDMO CC[NH+](CC)CC1CCN(Cc2ccc(C#N)s2)CC1 ZINC000350175750 379525356 /nfs/dbraw/zinc/52/53/56/379525356.db2.gz IVTJIRDPTXCZQD-UHFFFAOYSA-N 1 1 291.464 3.174 20 30 CGEDMO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000376672530 379593285 /nfs/dbraw/zinc/59/32/85/379593285.db2.gz NVCUDPBQVMLAQS-SJLPKXTDSA-N 1 1 297.446 3.180 20 30 CGEDMO C#Cc1cccc(NC(=O)C[N@H+](C)CCCCCC)c1 ZINC000731867471 572433229 /nfs/dbraw/zinc/43/32/29/572433229.db2.gz VAOCVHHCKRZPMZ-UHFFFAOYSA-N 1 1 272.392 3.119 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC000351828971 379745972 /nfs/dbraw/zinc/74/59/72/379745972.db2.gz KLNIQCKPEDNYOX-GOSISDBHSA-N 1 1 298.430 3.333 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H](C(=O)N(C)C)c1ccccc1 ZINC000351920114 379747846 /nfs/dbraw/zinc/74/78/46/379747846.db2.gz XFLFUQMSIHZVGK-KRWDZBQOSA-N 1 1 288.435 3.494 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000352415582 379803703 /nfs/dbraw/zinc/80/37/03/379803703.db2.gz YBXLWAADCBWSID-KRWDZBQOSA-N 1 1 259.393 3.022 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCCCNc1ccc(C#N)nc1 ZINC000267369291 190324354 /nfs/dbraw/zinc/32/43/54/190324354.db2.gz JQIFXEMACMLSTC-AWEZNQCLSA-N 1 1 272.396 3.020 20 30 CGEDMO C[C@H]1CSCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000380370567 379863264 /nfs/dbraw/zinc/86/32/64/379863264.db2.gz UMNOIZQFHGITCH-LLVKDONJSA-N 1 1 280.824 3.397 20 30 CGEDMO CCc1ccc(C[NH2+]Cc2ccc(C#N)c(F)c2)o1 ZINC000404858922 379985308 /nfs/dbraw/zinc/98/53/08/379985308.db2.gz VAWGKNDZHSVOSP-UHFFFAOYSA-N 1 1 258.296 3.143 20 30 CGEDMO Cc1cccc([C@H](C)[NH2+]Cc2nc(C#N)cs2)c1C ZINC000352837600 379993359 /nfs/dbraw/zinc/99/33/59/379993359.db2.gz OHNZISUIUBNNEZ-LBPRGKRZSA-N 1 1 271.389 3.482 20 30 CGEDMO C[C@@H]1CSCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411300428 380138882 /nfs/dbraw/zinc/13/88/82/380138882.db2.gz XLRJPHCASGRIFE-CYBMUJFWSA-N 1 1 252.427 3.288 20 30 CGEDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411298053 380138904 /nfs/dbraw/zinc/13/89/04/380138904.db2.gz UYORFFZXNGHCSF-HZPDHXFCSA-N 1 1 278.440 3.476 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCc1cncs1 ZINC000411297338 380139995 /nfs/dbraw/zinc/13/99/95/380139995.db2.gz MDUHDVGBXQEISG-IAGOWNOFSA-N 1 1 297.427 3.457 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCOC2(C1)CCCCCC2 ZINC000411348801 380142426 /nfs/dbraw/zinc/14/24/26/380142426.db2.gz PZDDSEDXMCRDTL-AWEZNQCLSA-N 1 1 250.386 3.104 20 30 CGEDMO C[C@@H](C#N)C[N@H+](CCC1(C#N)CCCCC1)C1CC1 ZINC000411402576 380144915 /nfs/dbraw/zinc/14/49/15/380144915.db2.gz QNSDLFRCAXKKCW-AWEZNQCLSA-N 1 1 259.397 3.475 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](CCC1(C#N)CCCCC1)C1CC1 ZINC000411402576 380144919 /nfs/dbraw/zinc/14/49/19/380144919.db2.gz QNSDLFRCAXKKCW-AWEZNQCLSA-N 1 1 259.397 3.475 20 30 CGEDMO C[N@@H+](CCC1(C#N)CCCCC1)C1CCC(CO)CC1 ZINC000411401185 380145001 /nfs/dbraw/zinc/14/50/01/380145001.db2.gz PZZQVEPRSCTQIU-UHFFFAOYSA-N 1 1 278.440 3.333 20 30 CGEDMO C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H](C)c1cnc(C)cn1 ZINC000411199493 380133716 /nfs/dbraw/zinc/13/37/16/380133716.db2.gz ZRPRHTJPUOZXPJ-HNNXBMFYSA-N 1 1 292.386 3.406 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)c1cnc(C)cn1 ZINC000411199493 380133725 /nfs/dbraw/zinc/13/37/25/380133725.db2.gz ZRPRHTJPUOZXPJ-HNNXBMFYSA-N 1 1 292.386 3.406 20 30 CGEDMO Cc1nc2sccn2c1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000268234226 190388781 /nfs/dbraw/zinc/38/87/81/190388781.db2.gz LQIMYQJJNAWPHP-UHFFFAOYSA-N 1 1 296.399 3.208 20 30 CGEDMO Cc1nc2sccn2c1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000268234226 190388782 /nfs/dbraw/zinc/38/87/82/190388782.db2.gz LQIMYQJJNAWPHP-UHFFFAOYSA-N 1 1 296.399 3.208 20 30 CGEDMO CCc1ccc(C[NH2+]Cc2ccc(C#N)c(OC)c2)o1 ZINC000353252568 380191120 /nfs/dbraw/zinc/19/11/20/380191120.db2.gz SCZUUPGJXDPWSO-UHFFFAOYSA-N 1 1 270.332 3.012 20 30 CGEDMO C=C[C@H](CO)[NH2+][C@@H](C)c1csc(-c2ccccc2)n1 ZINC000414170238 380197543 /nfs/dbraw/zinc/19/75/43/380197543.db2.gz WBYYYJLAECVYCY-WCQYABFASA-N 1 1 274.389 3.008 20 30 CGEDMO Cc1ccc(-c2n[nH]cc2C[N@@H+](C)CC(C)(C)C#N)cc1 ZINC000354042108 380294189 /nfs/dbraw/zinc/29/41/89/380294189.db2.gz VGVPSOBQSQIMLK-UHFFFAOYSA-N 1 1 282.391 3.367 20 30 CGEDMO Cc1ccc(-c2n[nH]cc2C[N@H+](C)CC(C)(C)C#N)cc1 ZINC000354042108 380294194 /nfs/dbraw/zinc/29/41/94/380294194.db2.gz VGVPSOBQSQIMLK-UHFFFAOYSA-N 1 1 282.391 3.367 20 30 CGEDMO CCC[N@@H+](CCCCC#N)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000354205457 380363695 /nfs/dbraw/zinc/36/36/95/380363695.db2.gz IQHVPYBXWZGDFW-RRFJBIMHSA-N 1 1 264.413 3.206 20 30 CGEDMO CC[N@@H+](CCOc1ccccc1C#N)CCC1CC1 ZINC000355054887 380569237 /nfs/dbraw/zinc/56/92/37/380569237.db2.gz CTWDWVWLWYGTPO-UHFFFAOYSA-N 1 1 258.365 3.059 20 30 CGEDMO N#Cc1cccc(OCCC[N@H+]2CC[C@@H]3CCC[C@H]32)c1 ZINC000355100477 380572243 /nfs/dbraw/zinc/57/22/43/380572243.db2.gz HMUAMAOTWZOJCO-DOTOQJQBSA-N 1 1 270.376 3.202 20 30 CGEDMO C=CCOCCN[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000645116041 380587309 /nfs/dbraw/zinc/58/73/09/380587309.db2.gz BTDAYRLPQUPDOT-GOSISDBHSA-N 1 1 288.435 3.006 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@@H]2C)cc1OC ZINC000355131498 380591504 /nfs/dbraw/zinc/59/15/04/380591504.db2.gz IOOJYZVGGJIWFH-KGLIPLIRSA-N 1 1 275.392 3.490 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000355141863 380597372 /nfs/dbraw/zinc/59/73/72/380597372.db2.gz YOWIMCLFHFXFNJ-IAGOWNOFSA-N 1 1 287.403 3.252 20 30 CGEDMO CO[C@@H](CC(C)C)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000419207605 380778202 /nfs/dbraw/zinc/77/82/02/380778202.db2.gz UGBPIKVSEVSYAK-INIZCTEOSA-N 1 1 260.381 3.051 20 30 CGEDMO COCCCC[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000419380679 380824364 /nfs/dbraw/zinc/82/43/64/380824364.db2.gz GVVJQRHQSXDPRB-UHFFFAOYSA-N 1 1 265.784 3.050 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1COc1cccnc1C ZINC000419395489 380828167 /nfs/dbraw/zinc/82/81/67/380828167.db2.gz UNIDPCJPZHCVTC-HNNXBMFYSA-N 1 1 260.381 3.199 20 30 CGEDMO C[C@@H]1CC2(C[N@H+]1CC#Cc1ccc(F)cc1)CCOCC2 ZINC000646098407 380834580 /nfs/dbraw/zinc/83/45/80/380834580.db2.gz VVFSQHYVGTYHKB-OAHLLOKOSA-N 1 1 287.378 3.068 20 30 CGEDMO C=CCN(CC=C)C(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000357244793 381083146 /nfs/dbraw/zinc/08/31/46/381083146.db2.gz FOKJVVQDJNNIFT-UHFFFAOYSA-N 1 1 298.430 3.485 20 30 CGEDMO C[C@H](C#N)C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000357829916 381285480 /nfs/dbraw/zinc/28/54/80/381285480.db2.gz OTBBGGIJFYAWOY-ZIAGYGMSSA-N 1 1 285.391 3.159 20 30 CGEDMO CN1CCN(Cc2ccc(Cl)cc2C#N)c2ccc[nH+]c21 ZINC000360121453 381451935 /nfs/dbraw/zinc/45/19/35/381451935.db2.gz HRBIFAXEAKHVSV-UHFFFAOYSA-N 1 1 298.777 3.063 20 30 CGEDMO C[C@@]12CC[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@@H]1C2(F)F ZINC000334877035 207231411 /nfs/dbraw/zinc/23/14/11/207231411.db2.gz KRKZONZEDNOKOT-UONOGXRCSA-N 1 1 280.293 3.174 20 30 CGEDMO C[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H]1CCC(C)(C)C1 ZINC000361469591 381760313 /nfs/dbraw/zinc/76/03/13/381760313.db2.gz MVGRSKIMZJKHTQ-OAHLLOKOSA-N 1 1 285.391 3.007 20 30 CGEDMO CC[N@H+](Cc1ccc(C#N)cc1Cl)C[C@@H](C)OC ZINC000361571165 381810935 /nfs/dbraw/zinc/81/09/35/381810935.db2.gz ZWWNBWKXJWHXKJ-LLVKDONJSA-N 1 1 266.772 3.068 20 30 CGEDMO N#CCSCCC[N@@H+](CC1CC1)CC1CCC1 ZINC000361568911 381811711 /nfs/dbraw/zinc/81/17/11/381811711.db2.gz YLNNQBXUSMJAMF-UHFFFAOYSA-N 1 1 252.427 3.145 20 30 CGEDMO C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000362439835 381990725 /nfs/dbraw/zinc/99/07/25/381990725.db2.gz PMPMWFYZXMAWCT-UONOGXRCSA-N 1 1 267.376 3.431 20 30 CGEDMO Cc1cc([C@H]2CCC[N@@H+]2CCOc2ccccc2C#N)no1 ZINC000363023718 382177990 /nfs/dbraw/zinc/17/79/90/382177990.db2.gz RKBXJKDEWZILPS-MRXNPFEDSA-N 1 1 297.358 3.071 20 30 CGEDMO Cc1cc([C@H]2CCC[N@H+]2CCOc2ccccc2C#N)no1 ZINC000363023718 382177995 /nfs/dbraw/zinc/17/79/95/382177995.db2.gz RKBXJKDEWZILPS-MRXNPFEDSA-N 1 1 297.358 3.071 20 30 CGEDMO Cn1ncc2c1CCC[C@H]2[N@@H+](C)CCCCC(C)(C)C#N ZINC000369000803 382385255 /nfs/dbraw/zinc/38/52/55/382385255.db2.gz JMIDZQYVYFEOOE-OAHLLOKOSA-N 1 1 288.439 3.449 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)cc1 ZINC000280911246 195024694 /nfs/dbraw/zinc/02/46/94/195024694.db2.gz FSJJSPVTABRNIX-IPMKNSEASA-N 1 1 298.430 3.464 20 30 CGEDMO C[C@H]1C[C@H](C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)CCO1 ZINC000335329981 208202941 /nfs/dbraw/zinc/20/29/41/208202941.db2.gz SFBMPKPIOZOGBD-DOTOQJQBSA-N 1 1 296.414 3.462 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000289427905 197342878 /nfs/dbraw/zinc/34/28/78/197342878.db2.gz CNZORODRISTJDR-SJORKVTESA-N 1 1 282.387 3.092 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000289427905 197342879 /nfs/dbraw/zinc/34/28/79/197342879.db2.gz CNZORODRISTJDR-SJORKVTESA-N 1 1 282.387 3.092 20 30 CGEDMO COc1cc(C[N@H+]2CCC=C(c3ccco3)C2)ccc1C#N ZINC000289368278 197315233 /nfs/dbraw/zinc/31/52/33/197315233.db2.gz LCSKBQIPIFOXLI-UHFFFAOYSA-N 1 1 294.354 3.449 20 30 CGEDMO CC1(C)C[N@H+](Cc2ccc(C#N)o2)Cc2ccccc2O1 ZINC000289225742 197267856 /nfs/dbraw/zinc/26/78/56/197267856.db2.gz ALNSOHFNWJWXRR-UHFFFAOYSA-N 1 1 282.343 3.324 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)o2)Cc2ccccc2O1 ZINC000289225742 197267857 /nfs/dbraw/zinc/26/78/57/197267857.db2.gz ALNSOHFNWJWXRR-UHFFFAOYSA-N 1 1 282.343 3.324 20 30 CGEDMO CCCC[N@@H+](C)C[C@H](C)Nc1c(C#N)nnc2ccccc21 ZINC000289125225 197240623 /nfs/dbraw/zinc/24/06/23/197240623.db2.gz RBIWVCTXZYKNAK-ZDUSSCGKSA-N 1 1 297.406 3.034 20 30 CGEDMO COCC1(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)CCC1 ZINC000425535574 533130861 /nfs/dbraw/zinc/13/08/61/533130861.db2.gz NLFIPTMMVCAICF-CQSZACIVSA-N 1 1 272.392 3.368 20 30 CGEDMO CC[N@H+]1CC[C@@H](N(C)c2cccc(F)c2C#N)C[C@@H]1C ZINC000354351848 220693605 /nfs/dbraw/zinc/69/36/05/220693605.db2.gz FTNIUAPBTHMYPW-QWHCGFSZSA-N 1 1 275.371 3.006 20 30 CGEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@]1(C)CCCC[C@@H]1O ZINC000329385106 542446105 /nfs/dbraw/zinc/44/61/05/542446105.db2.gz PUKMGYGUXNLGTM-VYDXJSESSA-N 1 1 296.455 3.149 20 30 CGEDMO COCC[C@H]([NH2+]Cc1cccc(C#N)c1F)c1ccco1 ZINC000347942383 533312553 /nfs/dbraw/zinc/31/25/53/533312553.db2.gz ZGPZEENHKRUSKA-AWEZNQCLSA-N 1 1 288.322 3.158 20 30 CGEDMO C[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000191333203 130221922 /nfs/dbraw/zinc/22/19/22/130221922.db2.gz NINGZHLZAMXASZ-CYBMUJFWSA-N 1 1 265.360 3.016 20 30 CGEDMO COc1cccc(C[N@@H+](CCC#N)CCC(C)C)c1O ZINC000093100893 392234806 /nfs/dbraw/zinc/23/48/06/392234806.db2.gz HUJKUAIZJVIKLD-UHFFFAOYSA-N 1 1 276.380 3.163 20 30 CGEDMO C=CCN(CC=C)[C@H](C[NH2+][C@@H](C)c1nccs1)C(C)C ZINC000093396942 392237039 /nfs/dbraw/zinc/23/70/39/392237039.db2.gz ARDLTAKDFIYORM-LSDHHAIUSA-N 1 1 293.480 3.492 20 30 CGEDMO C=CCCC[N@@H+](C)Cc1c(Cl)n(C)nc1CC ZINC000093533540 392239171 /nfs/dbraw/zinc/23/91/71/392239171.db2.gz LAPHSTMJLRLRJH-UHFFFAOYSA-N 1 1 255.793 3.034 20 30 CGEDMO C=CCCC[N@H+](C)Cc1c(Cl)n(C)nc1CC ZINC000093533540 392239174 /nfs/dbraw/zinc/23/91/74/392239174.db2.gz LAPHSTMJLRLRJH-UHFFFAOYSA-N 1 1 255.793 3.034 20 30 CGEDMO C[NH+](C)[C@@H](CNCc1ccc(C#N)cc1)C1CCCCC1 ZINC000069708741 392175323 /nfs/dbraw/zinc/17/53/23/392175323.db2.gz SSPMGVLVYBBDPK-SFHVURJKSA-N 1 1 285.435 3.158 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1 ZINC000285224668 392318366 /nfs/dbraw/zinc/31/83/66/392318366.db2.gz RXGPWBXEWPSXLH-OALUTQOASA-N 1 1 299.414 3.232 20 30 CGEDMO C=CC[NH+]1CCC(N[C@@H](C)c2cc(C)c(C)o2)CC1 ZINC000282439458 392291154 /nfs/dbraw/zinc/29/11/54/392291154.db2.gz ZIWBONOSLMJUTH-ZDUSSCGKSA-N 1 1 262.397 3.197 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1ccnn1CCCOC ZINC000282746391 392295538 /nfs/dbraw/zinc/29/55/38/392295538.db2.gz GMGCENRFCXYAED-UHFFFAOYSA-N 1 1 279.428 3.098 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H](CCO)c1ccccc1 ZINC000361834506 392337389 /nfs/dbraw/zinc/33/73/89/392337389.db2.gz UIDGVMJTAPOSMB-SFHVURJKSA-N 1 1 298.361 3.253 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2c(c1)CCO2 ZINC000109829428 392375041 /nfs/dbraw/zinc/37/50/41/392375041.db2.gz OPHGCIPLIJZFCW-UHFFFAOYSA-N 1 1 278.355 3.125 20 30 CGEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]1C1CCC1 ZINC000263975532 131372592 /nfs/dbraw/zinc/37/25/92/131372592.db2.gz CYIOUTWLCLELAN-QGZVFWFLSA-N 1 1 297.402 3.151 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000366093016 392449744 /nfs/dbraw/zinc/44/97/44/392449744.db2.gz NTELAVIQKMNMGZ-OAHLLOKOSA-N 1 1 267.413 3.003 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000367076001 392469650 /nfs/dbraw/zinc/46/96/50/392469650.db2.gz YTRUEUYIWFWZCA-INIZCTEOSA-N 1 1 290.794 3.214 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000367076001 392469658 /nfs/dbraw/zinc/46/96/58/392469658.db2.gz YTRUEUYIWFWZCA-INIZCTEOSA-N 1 1 290.794 3.214 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000121163989 392409135 /nfs/dbraw/zinc/40/91/35/392409135.db2.gz ZKSVSWIFWPDXNQ-OAHLLOKOSA-N 1 1 274.408 3.104 20 30 CGEDMO CC#CC[N@@H+](C)CCCC(=O)Nc1c(C)cc(C)cc1C ZINC000293307236 392523938 /nfs/dbraw/zinc/52/39/38/392523938.db2.gz WUBCDHQPOAPZPR-UHFFFAOYSA-N 1 1 286.419 3.286 20 30 CGEDMO C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)c1ccc(C#N)cc1 ZINC000294036727 392531695 /nfs/dbraw/zinc/53/16/95/392531695.db2.gz IJKTWTAXVOCUIQ-TYNCELHUSA-N 1 1 266.348 3.111 20 30 CGEDMO C#CCC[N@@H+](C)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000371185089 392512017 /nfs/dbraw/zinc/51/20/17/392512017.db2.gz QPRRVDFJPNUKRM-MRXNPFEDSA-N 1 1 285.778 3.175 20 30 CGEDMO C#CCC[N@H+](C)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000371185089 392512022 /nfs/dbraw/zinc/51/20/22/392512022.db2.gz QPRRVDFJPNUKRM-MRXNPFEDSA-N 1 1 285.778 3.175 20 30 CGEDMO CO[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1(C)C ZINC000296118798 392554608 /nfs/dbraw/zinc/55/46/08/392554608.db2.gz RUFOHNSFHAVHPF-INIZCTEOSA-N 1 1 291.822 3.438 20 30 CGEDMO CC(C)[C@@H](C)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000298459000 392575570 /nfs/dbraw/zinc/57/55/70/392575570.db2.gz KSCJRQUMVGFLQF-LLVKDONJSA-N 1 1 293.798 3.126 20 30 CGEDMO C[C@@H](c1ccncc1)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000171963240 392617523 /nfs/dbraw/zinc/61/75/23/392617523.db2.gz RWEODZRBCDHFFT-AWEZNQCLSA-N 1 1 281.359 3.025 20 30 CGEDMO COC(=O)[C@H]1C[C@H](C2CCCCC2)C[N@H+]1CCCCC#N ZINC000374143158 392669716 /nfs/dbraw/zinc/66/97/16/392669716.db2.gz RMGSGJSFCLFCMK-JKSUJKDBSA-N 1 1 292.423 3.124 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c1 ZINC000375312003 392767137 /nfs/dbraw/zinc/76/71/37/392767137.db2.gz ZNCNKVNRGJUCEV-MRXNPFEDSA-N 1 1 288.366 3.088 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](OCC3CC3)C2)c1 ZINC000375312003 392767142 /nfs/dbraw/zinc/76/71/42/392767142.db2.gz ZNCNKVNRGJUCEV-MRXNPFEDSA-N 1 1 288.366 3.088 20 30 CGEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000181252099 392723960 /nfs/dbraw/zinc/72/39/60/392723960.db2.gz RDRYADCRSKAGGX-UHFFFAOYSA-N 1 1 266.772 3.095 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000181252099 392723968 /nfs/dbraw/zinc/72/39/68/392723968.db2.gz RDRYADCRSKAGGX-UHFFFAOYSA-N 1 1 266.772 3.095 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1coc(-c2ccc(F)cc2)n1 ZINC000181298795 392726336 /nfs/dbraw/zinc/72/63/36/392726336.db2.gz TZSPMJGOLCPNFP-UHFFFAOYSA-N 1 1 260.312 3.489 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1coc(-c2ccc(F)cc2)n1 ZINC000181298795 392726340 /nfs/dbraw/zinc/72/63/40/392726340.db2.gz TZSPMJGOLCPNFP-UHFFFAOYSA-N 1 1 260.312 3.489 20 30 CGEDMO CCOC(=O)CC[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000192125096 392837927 /nfs/dbraw/zinc/83/79/27/392837927.db2.gz YROGLHJKRURVME-SFHVURJKSA-N 1 1 299.414 3.093 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCS[C@H](C(C)C)C1 ZINC000186245762 392779866 /nfs/dbraw/zinc/77/98/66/392779866.db2.gz CTYJIAWYSZGGDD-INIZCTEOSA-N 1 1 274.433 3.440 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2ccc(Br)o2)s1 ZINC000189497710 392805748 /nfs/dbraw/zinc/80/57/48/392805748.db2.gz SDLSBGJJTZMWMZ-UHFFFAOYSA-N 1 1 297.177 3.265 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1OC)CC1CCC1 ZINC000338326008 392908458 /nfs/dbraw/zinc/90/84/58/392908458.db2.gz IIMTVHNMBCXTNR-UHFFFAOYSA-N 1 1 275.392 3.492 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)Nc1ccc2nc(N(C)C)[nH]c2c1 ZINC000338926534 392935390 /nfs/dbraw/zinc/93/53/90/392935390.db2.gz ORBUTLSKUUQWHL-NSHDSACASA-N 1 1 286.379 3.170 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccc(C)cc1-c1ccnn1C ZINC000338953961 392938082 /nfs/dbraw/zinc/93/80/82/392938082.db2.gz XCGCBMQARCAIBQ-UHFFFAOYSA-N 1 1 299.418 3.030 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](Oc3ccccc3)C2)C1 ZINC000338997596 392939571 /nfs/dbraw/zinc/93/95/71/392939571.db2.gz PJQXOBFQGCZPJT-INMHGKMJSA-N 1 1 270.376 3.222 20 30 CGEDMO Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](CCOCCC#N)C1 ZINC000339003560 392940227 /nfs/dbraw/zinc/94/02/27/392940227.db2.gz OASOWWDVQAUTNY-HZPDHXFCSA-N 1 1 272.392 3.103 20 30 CGEDMO CC#CCN(CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000525633951 392941309 /nfs/dbraw/zinc/94/13/09/392941309.db2.gz NJDRGSVAWWKJEF-SJLPKXTDSA-N 1 1 270.420 3.167 20 30 CGEDMO COc1cccc([C@H]2C[C@@H](C)C[N@H+]2CCOCCC#N)c1 ZINC000339084191 392946896 /nfs/dbraw/zinc/94/68/96/392946896.db2.gz NTWHIQYEXMWAPE-RHSMWYFYSA-N 1 1 288.391 3.008 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000411626104 392982549 /nfs/dbraw/zinc/98/25/49/392982549.db2.gz WHBLLCAGRGTOCT-CYBMUJFWSA-N 1 1 250.386 3.102 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000217166272 392994157 /nfs/dbraw/zinc/99/41/57/392994157.db2.gz ULVBCWKIQZLPJP-GFCCVEGCSA-N 1 1 266.182 3.424 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000217166272 392994161 /nfs/dbraw/zinc/99/41/61/392994161.db2.gz ULVBCWKIQZLPJP-GFCCVEGCSA-N 1 1 266.182 3.424 20 30 CGEDMO CC(C)[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)CC1CC1 ZINC000533494191 392996843 /nfs/dbraw/zinc/99/68/43/392996843.db2.gz LZWJPRLSEXHALC-UHFFFAOYSA-N 1 1 296.374 3.229 20 30 CGEDMO COC(=O)c1cccc(C[N@@H+]2[C@H](C)CCC[C@@H]2C)c1C#N ZINC000534470630 392998443 /nfs/dbraw/zinc/99/84/43/392998443.db2.gz WJTRNEUYMPKPOK-BETUJISGSA-N 1 1 286.375 3.108 20 30 CGEDMO Cc1ccccc1C[C@@H]1CCC[N@H+]1CC1(C#N)CC1 ZINC000343306584 393024781 /nfs/dbraw/zinc/02/47/81/393024781.db2.gz VSOBURFBQYYQEX-INIZCTEOSA-N 1 1 254.377 3.306 20 30 CGEDMO COc1ccc2oc(C[NH+]3CCC(F)(C#N)CC3)cc2c1 ZINC000348713177 393128702 /nfs/dbraw/zinc/12/87/02/393128702.db2.gz KARVOYWDXLBPAD-UHFFFAOYSA-N 1 1 288.322 3.269 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)c1 ZINC000355230918 393270563 /nfs/dbraw/zinc/27/05/63/393270563.db2.gz ZNYFHRLNQOHIRJ-KSSFIOAISA-N 1 1 287.403 3.251 20 30 CGEDMO C=CCCCC[N@@H+]1CCc2c(cccc2NC(C)=O)C1 ZINC000649254068 393387512 /nfs/dbraw/zinc/38/75/12/393387512.db2.gz LOYQVZWAQASDFP-UHFFFAOYSA-N 1 1 272.392 3.359 20 30 CGEDMO CCn1cncc1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000417813109 393354313 /nfs/dbraw/zinc/35/43/13/393354313.db2.gz LWPHMEDXJNPYQL-UHFFFAOYSA-N 1 1 292.386 3.064 20 30 CGEDMO CCn1cncc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000417813109 393354317 /nfs/dbraw/zinc/35/43/17/393354317.db2.gz LWPHMEDXJNPYQL-UHFFFAOYSA-N 1 1 292.386 3.064 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@@H]2CC[C@H](C)C2)cc1C#N ZINC000429567237 393482220 /nfs/dbraw/zinc/48/22/20/393482220.db2.gz LKBBXWZJZRYMAR-SWLSCSKDSA-N 1 1 258.365 3.187 20 30 CGEDMO CSC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000488172070 393465565 /nfs/dbraw/zinc/46/55/65/393465565.db2.gz QTPASSWVZRUGLS-HNNXBMFYSA-N 1 1 260.406 3.194 20 30 CGEDMO CCC1CCC([N@@H+](CCO)Cc2ccccc2C#N)CC1 ZINC000488205078 393471140 /nfs/dbraw/zinc/47/11/40/393471140.db2.gz SSPOLMFJTKUULT-UHFFFAOYSA-N 1 1 286.419 3.321 20 30 CGEDMO C[C@@H]1CC[C@H]([N@@H+](C)CCCOc2cccc(C#N)c2)C1 ZINC000429578340 393486627 /nfs/dbraw/zinc/48/66/27/393486627.db2.gz IKIFGRUDZFVWBB-ZBFHGGJFSA-N 1 1 272.392 3.448 20 30 CGEDMO C[C@H]1C[C@@H]1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000488347005 393493310 /nfs/dbraw/zinc/49/33/10/393493310.db2.gz AENHGZORTYEFIR-SUMWQHHRSA-N 1 1 252.361 3.303 20 30 CGEDMO C=CC[C@H]1[N@H+](Cc2cc3n(n2)CCC3)CCCC1(C)C ZINC000649594089 393506440 /nfs/dbraw/zinc/50/64/40/393506440.db2.gz NNDIEHFLQKVGBN-MRXNPFEDSA-N 1 1 273.424 3.396 20 30 CGEDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(C#N)c(C)c2)C[C@@H]1C ZINC000488458004 393522723 /nfs/dbraw/zinc/52/27/23/393522723.db2.gz JOKKXVJORGOBQR-YJBOKZPZSA-N 1 1 285.435 3.171 20 30 CGEDMO CCN1CC[C@H]([N@H+](C)Cc2ccc(C#N)c(C)c2)C[C@@H]1C ZINC000488458004 393522745 /nfs/dbraw/zinc/52/27/45/393522745.db2.gz JOKKXVJORGOBQR-YJBOKZPZSA-N 1 1 285.435 3.171 20 30 CGEDMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(C#N)c(C)c2)C[C@@H]1C ZINC000488458004 393522751 /nfs/dbraw/zinc/52/27/51/393522751.db2.gz JOKKXVJORGOBQR-YJBOKZPZSA-N 1 1 285.435 3.171 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)[C@@H](C)CSc1ccccc1 ZINC000649665694 393534060 /nfs/dbraw/zinc/53/40/60/393534060.db2.gz STLMNVJOXWLSAC-LSDHHAIUSA-N 1 1 279.449 3.426 20 30 CGEDMO CC(C)O[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000649702728 393549563 /nfs/dbraw/zinc/54/95/63/393549563.db2.gz LSPNCDZGFIDMJR-KRWDZBQOSA-N 1 1 275.367 3.067 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000359541952 393550064 /nfs/dbraw/zinc/55/00/64/393550064.db2.gz DZNAVPWDECDULU-XYJFISCASA-N 1 1 290.451 3.088 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421014727 393575339 /nfs/dbraw/zinc/57/53/39/393575339.db2.gz KWBAVZZANMNKLA-LSDHHAIUSA-N 1 1 272.392 3.104 20 30 CGEDMO C[N@@H+](CCNCc1ccc(C#N)c(F)c1)C1CCCCC1 ZINC000421319934 393604470 /nfs/dbraw/zinc/60/44/70/393604470.db2.gz BGNMQYACKPKBGG-UHFFFAOYSA-N 1 1 289.398 3.051 20 30 CGEDMO CN(CC[NH2+]Cc1ccc(C#N)c(F)c1)C1CCCCC1 ZINC000421319934 393604471 /nfs/dbraw/zinc/60/44/71/393604471.db2.gz BGNMQYACKPKBGG-UHFFFAOYSA-N 1 1 289.398 3.051 20 30 CGEDMO CC1(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)CCC1 ZINC000432776520 393637221 /nfs/dbraw/zinc/63/72/21/393637221.db2.gz OTDMPGRWYZEROO-INIZCTEOSA-N 1 1 270.376 3.122 20 30 CGEDMO CC1(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)CCC1 ZINC000432776520 393637223 /nfs/dbraw/zinc/63/72/23/393637223.db2.gz OTDMPGRWYZEROO-INIZCTEOSA-N 1 1 270.376 3.122 20 30 CGEDMO COCCCCc1ccc[nH+]c1N[C@@H]1CC[C@@H](C#N)C1 ZINC000361019114 393644475 /nfs/dbraw/zinc/64/44/75/393644475.db2.gz WZSVNTRYVTZHJG-UKRRQHHQSA-N 1 1 273.380 3.155 20 30 CGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000443650373 393769794 /nfs/dbraw/zinc/76/97/94/393769794.db2.gz IVYFFQGBFYNQCW-RBSFLKMASA-N 1 1 299.418 3.253 20 30 CGEDMO CC1(C)CCCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000446066789 393844442 /nfs/dbraw/zinc/84/44/42/393844442.db2.gz CUUIOXHUXAVUQU-UHFFFAOYSA-N 1 1 285.391 3.009 20 30 CGEDMO C=CCOc1ccc(CN[C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000666999406 542834530 /nfs/dbraw/zinc/83/45/30/542834530.db2.gz DJROZSQIWXQTEU-MRXNPFEDSA-N 1 1 286.419 3.016 20 30 CGEDMO C[C@H](NCC[N@H+]1CCCC1(C)C)c1ccc(C#N)cc1F ZINC000453407670 394236484 /nfs/dbraw/zinc/23/64/84/394236484.db2.gz UYGNDAHKODXQJL-ZDUSSCGKSA-N 1 1 289.398 3.222 20 30 CGEDMO C[C@H]([NH2+]CCN1CCCC1(C)C)c1ccc(C#N)cc1F ZINC000453407670 394236489 /nfs/dbraw/zinc/23/64/89/394236489.db2.gz UYGNDAHKODXQJL-ZDUSSCGKSA-N 1 1 289.398 3.222 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(O[C@@H](C)COC)cc1 ZINC000667943545 542947595 /nfs/dbraw/zinc/94/75/95/542947595.db2.gz SUDRRILDVSLMDT-AWEZNQCLSA-N 1 1 263.381 3.108 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000668078587 542966709 /nfs/dbraw/zinc/96/67/09/542966709.db2.gz PIWKGTNGZMNPDY-WMZOPIPTSA-N 1 1 287.403 3.395 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cn3cccc(F)c3n2)C1 ZINC000668493434 543020381 /nfs/dbraw/zinc/02/03/81/543020381.db2.gz NRMHWNBXCDSTCM-CYBMUJFWSA-N 1 1 273.355 3.262 20 30 CGEDMO CCC#C[C@@H](C)[N@@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000671721331 543180733 /nfs/dbraw/zinc/18/07/33/543180733.db2.gz NRIRBHCKICKOJB-CQSZACIVSA-N 1 1 283.375 3.013 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CCC[C@@H](Oc2ccccc2OC)C1 ZINC000671732554 543183073 /nfs/dbraw/zinc/18/30/73/543183073.db2.gz OZZUYEDJTATAMQ-HZPDHXFCSA-N 1 1 287.403 3.340 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000117871524 397655839 /nfs/dbraw/zinc/65/58/39/397655839.db2.gz YPGWZONSGZBELE-UHFFFAOYSA-N 1 1 255.365 3.270 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](CCOC)Cc1ccc(C)cc1C ZINC000675494237 543344345 /nfs/dbraw/zinc/34/43/45/543344345.db2.gz XFVDSFQWUCYETH-SFHVURJKSA-N 1 1 291.435 3.079 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000677047996 543427653 /nfs/dbraw/zinc/42/76/53/543427653.db2.gz MWSHNSJMLFJQAO-ZOBUZTSGSA-N 1 1 257.377 3.250 20 30 CGEDMO CCC#C[C@H](C)[N@@H+]1C[C@@H](c2ccccc2)O[C@@H](C)C1 ZINC000677047996 543427655 /nfs/dbraw/zinc/42/76/55/543427655.db2.gz MWSHNSJMLFJQAO-ZOBUZTSGSA-N 1 1 257.377 3.250 20 30 CGEDMO C=C(C)[C@@H](CO)[N@@H+](CC)Cc1ccc(Cl)cc1 ZINC000678049515 543479162 /nfs/dbraw/zinc/47/91/62/543479162.db2.gz LEHAJNRRMFTWMW-CQSZACIVSA-N 1 1 253.773 3.099 20 30 CGEDMO C=CCOc1ccc(C[N@H+](CCCO)C2CC2)cc1Cl ZINC000678263157 543504420 /nfs/dbraw/zinc/50/44/20/543504420.db2.gz DKKREINZFHVEJO-UHFFFAOYSA-N 1 1 295.810 3.252 20 30 CGEDMO COCC#CC[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000678736280 543551621 /nfs/dbraw/zinc/55/16/21/543551621.db2.gz IFCCGAJXLDOGJM-JTQLQIEISA-N 1 1 272.175 3.294 20 30 CGEDMO Cc1ccc(C[N@@H+](C)CCOc2ccc(C#N)cc2)s1 ZINC000076342821 165111949 /nfs/dbraw/zinc/11/19/49/165111949.db2.gz MEGARBINOHORQE-UHFFFAOYSA-N 1 1 286.400 3.439 20 30 CGEDMO N#Cc1ccc(OCC[N@H+]2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000087770951 165188571 /nfs/dbraw/zinc/18/85/71/165188571.db2.gz WFJWKVYFMYDGSG-RDJZCZTQSA-N 1 1 270.376 3.202 20 30 CGEDMO N#Cc1ccc(OCC[N@H+]2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000087770949 165191625 /nfs/dbraw/zinc/19/16/25/165191625.db2.gz WFJWKVYFMYDGSG-WBVHZDCISA-N 1 1 270.376 3.202 20 30 CGEDMO C[C@H](c1ccccn1)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000091702301 165267972 /nfs/dbraw/zinc/26/79/72/165267972.db2.gz XOXSTSRAOGPEQS-GFCCVEGCSA-N 1 1 269.323 3.285 20 30 CGEDMO C[C@H](c1ccccn1)[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000091702301 165267973 /nfs/dbraw/zinc/26/79/73/165267973.db2.gz XOXSTSRAOGPEQS-GFCCVEGCSA-N 1 1 269.323 3.285 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+](C)[C@H](C)c1ccncc1 ZINC000091988934 165278704 /nfs/dbraw/zinc/27/87/04/165278704.db2.gz DIBSKYMDCGRYEU-CYBMUJFWSA-N 1 1 281.359 3.155 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@H](C)c1ccncc1 ZINC000091988934 165278707 /nfs/dbraw/zinc/27/87/07/165278707.db2.gz DIBSKYMDCGRYEU-CYBMUJFWSA-N 1 1 281.359 3.155 20 30 CGEDMO N#Cc1ccc(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)o1 ZINC000092435562 165299296 /nfs/dbraw/zinc/29/92/96/165299296.db2.gz VEWRNFWMCCVBRD-KRWDZBQOSA-N 1 1 296.370 3.332 20 30 CGEDMO N#Cc1ccc(C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)o1 ZINC000092435562 165299297 /nfs/dbraw/zinc/29/92/97/165299297.db2.gz VEWRNFWMCCVBRD-KRWDZBQOSA-N 1 1 296.370 3.332 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+](C)[C@@H](C)c1cccnc1 ZINC000093233988 165326634 /nfs/dbraw/zinc/32/66/34/165326634.db2.gz IZRZNSUFLAEFOR-ZDUSSCGKSA-N 1 1 281.359 3.155 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000093233988 165326640 /nfs/dbraw/zinc/32/66/40/165326640.db2.gz IZRZNSUFLAEFOR-ZDUSSCGKSA-N 1 1 281.359 3.155 20 30 CGEDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000176853711 165605407 /nfs/dbraw/zinc/60/54/07/165605407.db2.gz BYMFJBIMKNBVPT-AWEZNQCLSA-N 1 1 280.371 3.327 20 30 CGEDMO Cc1nc(C[NH2+][C@H](C)c2ccc(C#N)cc2)cs1 ZINC000035256404 172086946 /nfs/dbraw/zinc/08/69/46/172086946.db2.gz YPLYQCLDAYZCTC-SNVBAGLBSA-N 1 1 257.362 3.174 20 30 CGEDMO CSCC[C@H](C)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000126443026 287264856 /nfs/dbraw/zinc/26/48/56/287264856.db2.gz GTGFQAZCVCURBK-ZDUSSCGKSA-N 1 1 278.421 3.010 20 30 CGEDMO CCOC1CC(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)C1 ZINC000285361005 196260604 /nfs/dbraw/zinc/26/06/04/196260604.db2.gz AFUFMWZFQMHUEE-UHFFFAOYSA-N 1 1 284.403 3.338 20 30 CGEDMO CC[N@@H+](CCOc1cccc(C#N)c1)C1CCCC1 ZINC000035766096 172408035 /nfs/dbraw/zinc/40/80/35/172408035.db2.gz CNROPJSMRGOPRW-UHFFFAOYSA-N 1 1 258.365 3.202 20 30 CGEDMO C[C@@H]1SCC[N@@H+](CCCOc2cccc(C#N)c2)[C@H]1C ZINC000127298557 287285094 /nfs/dbraw/zinc/28/50/94/287285094.db2.gz ZOVHINVMHSBWAR-KBPBESRZSA-N 1 1 290.432 3.153 20 30 CGEDMO C=CCOc1ccc(C[NH2+]Cc2csc(C)n2)cc1 ZINC000040443827 174264133 /nfs/dbraw/zinc/26/41/33/174264133.db2.gz ICJHADVXDCYOOI-UHFFFAOYSA-N 1 1 274.389 3.306 20 30 CGEDMO C[C@H]1CCC[C@](CNCc2cccc(C#N)c2)([NH+](C)C)C1 ZINC000040668238 174367372 /nfs/dbraw/zinc/36/73/72/174367372.db2.gz KZIWQBCFSHUQFJ-YJBOKZPZSA-N 1 1 285.435 3.158 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1sccc1C#N)CC1CCCC1 ZINC000049492011 175484557 /nfs/dbraw/zinc/48/45/57/175484557.db2.gz KRXGLAFFVOLABM-UHFFFAOYSA-N 1 1 291.420 3.070 20 30 CGEDMO CC(C)(C)[C@H]1CC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000131348808 287377094 /nfs/dbraw/zinc/37/70/94/287377094.db2.gz GVUBEYPKDPKQDZ-HNNXBMFYSA-N 1 1 272.392 3.305 20 30 CGEDMO N#CCCCC[N@@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000347347028 226121342 /nfs/dbraw/zinc/12/13/42/226121342.db2.gz QWBAMGLJEWDIAH-LSDHHAIUSA-N 1 1 290.432 3.181 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CCOCc1ccc(OC)cc1 ZINC000683793094 543942845 /nfs/dbraw/zinc/94/28/45/543942845.db2.gz PGQBMPDDCUZDJV-MRXNPFEDSA-N 1 1 275.392 3.252 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+]1C[C@H](c2ccc(C)cc2)C[C@@H]1C ZINC000683800298 543942855 /nfs/dbraw/zinc/94/28/55/543942855.db2.gz KMPVUOCTZQNISC-UAGQMJEPSA-N 1 1 259.393 3.110 20 30 CGEDMO C[C@H](C#N)C[N@@H+](CCCOCc1ccccc1)C1CC1 ZINC000347502401 226168939 /nfs/dbraw/zinc/16/89/39/226168939.db2.gz YVVXEFIZYFCYMJ-OAHLLOKOSA-N 1 1 272.392 3.217 20 30 CGEDMO C=CC[N@H+](C[C@@H](OC)[C@@H]1CCOC1)CC1CCCCC1 ZINC000659918936 419033929 /nfs/dbraw/zinc/03/39/29/419033929.db2.gz CFSMEKDXJYZUMS-IAGOWNOFSA-N 1 1 281.440 3.106 20 30 CGEDMO C=CCCn1cc(C[N@H+](Cc2ccccc2)C(C)C)nn1 ZINC000653491247 419038661 /nfs/dbraw/zinc/03/86/61/419038661.db2.gz QCDHBQYHBDWWNS-UHFFFAOYSA-N 1 1 284.407 3.265 20 30 CGEDMO C=CCCn1cc(C[N@@H+](Cc2ccccc2)C(C)C)nn1 ZINC000653491247 419038665 /nfs/dbraw/zinc/03/86/65/419038665.db2.gz QCDHBQYHBDWWNS-UHFFFAOYSA-N 1 1 284.407 3.265 20 30 CGEDMO C=CCCC(C)(C)NC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000664757996 419000010 /nfs/dbraw/zinc/00/00/10/419000010.db2.gz GIHJTEDHDIXYNS-HNNXBMFYSA-N 1 1 293.455 3.047 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CCC[C@@H]2CCC(C)C)nn1 ZINC000653570925 419052388 /nfs/dbraw/zinc/05/23/88/419052388.db2.gz KMKCYLLFOWPIMZ-MRXNPFEDSA-N 1 1 276.428 3.255 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2cc(OC)no2)CCCC1(C)C ZINC000660423486 419141969 /nfs/dbraw/zinc/14/19/69/419141969.db2.gz RKYQZZPTAHPFFM-ZDUSSCGKSA-N 1 1 264.369 3.250 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1cnc2ccccc2n1 ZINC000660429751 419143094 /nfs/dbraw/zinc/14/30/94/419143094.db2.gz OXFKDXQYZRGJFL-AWEZNQCLSA-N 1 1 253.349 3.170 20 30 CGEDMO C=CC[N@H+](CCc1nsc2ccccc21)[C@H](C)COC ZINC000661238884 419243326 /nfs/dbraw/zinc/24/33/26/419243326.db2.gz GZPBQSDUGGVIMM-CYBMUJFWSA-N 1 1 290.432 3.362 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1SC)[C@H](C)COC ZINC000661239520 419243340 /nfs/dbraw/zinc/24/33/40/419243340.db2.gz HPEXLPKMFLJYHA-CYBMUJFWSA-N 1 1 265.422 3.431 20 30 CGEDMO C=CC[N@@H+](C[C@H]1CCC2(CCCC2)O1)[C@@H](C)COC ZINC000661241439 419244317 /nfs/dbraw/zinc/24/43/17/419244317.db2.gz YFGODUQAFALRBA-LSDHHAIUSA-N 1 1 267.413 3.001 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(F)cc1C)[C@H](C)COC ZINC000661241322 419244423 /nfs/dbraw/zinc/24/44/23/419244423.db2.gz VTVKVUJLZZEXDL-CYBMUJFWSA-N 1 1 251.345 3.157 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CCC(=O)N(C)c2ccccc2)C1 ZINC000661381605 419255579 /nfs/dbraw/zinc/25/55/79/419255579.db2.gz NGCXZKWIBWZOSB-MRXNPFEDSA-N 1 1 286.419 3.328 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2)C1 ZINC000661379409 419256068 /nfs/dbraw/zinc/25/60/68/419256068.db2.gz YASOYFNUZDHLRQ-GJZGRUSLSA-N 1 1 272.392 3.302 20 30 CGEDMO C=CCCn1cc(CNc2ccc(C3CCC3)c[nH+]2)nn1 ZINC000656775179 419214735 /nfs/dbraw/zinc/21/47/35/419214735.db2.gz NFLUVNJITCAMHT-UHFFFAOYSA-N 1 1 283.379 3.129 20 30 CGEDMO Cc1cc(C)n(-c2ccc(C[NH2+][C@H]3CCC[C@H]3C#N)cc2)n1 ZINC000331605114 228114525 /nfs/dbraw/zinc/11/45/25/228114525.db2.gz BLEBPSADQRYZEK-WMZOPIPTSA-N 1 1 294.402 3.271 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnc(C2CC2)n1C1CC1 ZINC000662090334 419334780 /nfs/dbraw/zinc/33/47/80/419334780.db2.gz NHCMTRQEWNSOBI-GASCZTMLSA-N 1 1 284.407 3.173 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nnc(C2CC2)n1C1CC1 ZINC000662090334 419334782 /nfs/dbraw/zinc/33/47/82/419334782.db2.gz NHCMTRQEWNSOBI-GASCZTMLSA-N 1 1 284.407 3.173 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCc2ccccc2NC1=O ZINC000662090213 419334825 /nfs/dbraw/zinc/33/48/25/419334825.db2.gz LWDGIYZOEQOKST-UXLLHSPISA-N 1 1 282.387 3.123 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1noc2c1CCCC2 ZINC000662085068 419334969 /nfs/dbraw/zinc/33/49/69/419334969.db2.gz ZTWTZIUDKBDKEI-BETUJISGSA-N 1 1 258.365 3.236 20 30 CGEDMO OC[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)c1ccsc1 ZINC000352032077 228176340 /nfs/dbraw/zinc/17/63/40/228176340.db2.gz JEWSGQJYAGZPJO-OAHLLOKOSA-N 1 1 291.803 3.076 20 30 CGEDMO C=CC[C@H]1CCCC[C@H]1[NH2+]C1CCN(CCCOC)CC1 ZINC000657868245 419397222 /nfs/dbraw/zinc/39/72/22/419397222.db2.gz ZJEDYPHWKVDACL-FUHWJXTLSA-N 1 1 294.483 3.212 20 30 CGEDMO C=CCCCC[N@@H+]1C[C@@H](C)O[C@H](CC(F)(F)F)C1 ZINC000662241640 419371116 /nfs/dbraw/zinc/37/11/16/419371116.db2.gz UWOCAQCOEBKPFR-VXGBXAGGSA-N 1 1 265.319 3.384 20 30 CGEDMO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCN(CC)C1 ZINC000657841954 419382960 /nfs/dbraw/zinc/38/29/60/419382960.db2.gz RRJQDROTZYKUPF-OAGGEKHMSA-N 1 1 250.430 3.053 20 30 CGEDMO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCN(CC)C1 ZINC000657841950 419383290 /nfs/dbraw/zinc/38/32/90/419383290.db2.gz RRJQDROTZYKUPF-ARFHVFGLSA-N 1 1 250.430 3.053 20 30 CGEDMO C=CCc1cc(C)cc(OC)c1OCCc1c[nH+]cn1C ZINC000664014696 419797437 /nfs/dbraw/zinc/79/74/37/419797437.db2.gz CKOUGJNXMRCXFL-UHFFFAOYSA-N 1 1 286.375 3.087 20 30 CGEDMO C=CC[N@H+](CC1CCCCC1)[C@@H](C)c1nc(COC)no1 ZINC000299230182 260175721 /nfs/dbraw/zinc/17/57/21/260175721.db2.gz JGDDZXMJUUWBSD-ZDUSSCGKSA-N 1 1 293.411 3.345 20 30 CGEDMO C=CC[N@@H+](CC1CCCCC1)[C@@H](C)c1nc(COC)no1 ZINC000299230182 260175723 /nfs/dbraw/zinc/17/57/23/260175723.db2.gz JGDDZXMJUUWBSD-ZDUSSCGKSA-N 1 1 293.411 3.345 20 30 CGEDMO C=CCCCCCN(C)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363418215 260255697 /nfs/dbraw/zinc/25/56/97/260255697.db2.gz NRWVMOBTMFMIHL-CVEARBPZSA-N 1 1 293.455 3.001 20 30 CGEDMO CC1(C)C[N@H+](Cc2cn3ccccc3c2C#N)CCS1 ZINC000083419559 260349884 /nfs/dbraw/zinc/34/98/84/260349884.db2.gz ZFUBVBJXFFGAEB-UHFFFAOYSA-N 1 1 285.416 3.138 20 30 CGEDMO CC1(C)C[N@@H+](Cc2cn3ccccc3c2C#N)CCS1 ZINC000083419559 260349885 /nfs/dbraw/zinc/34/98/85/260349885.db2.gz ZFUBVBJXFFGAEB-UHFFFAOYSA-N 1 1 285.416 3.138 20 30 CGEDMO C[C@H]1C[C@@H](Nc2cccc(OCCCC#N)c2)CC[N@H+]1C ZINC000127967602 260370987 /nfs/dbraw/zinc/37/09/87/260370987.db2.gz FUZKUOCAYYOSFU-HOCLYGCPSA-N 1 1 287.407 3.264 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CCCCC1 ZINC000448891175 261123855 /nfs/dbraw/zinc/12/38/55/261123855.db2.gz PYAZYBSTPDXDDL-CQSZACIVSA-N 1 1 278.440 3.112 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000184081557 262007099 /nfs/dbraw/zinc/00/70/99/262007099.db2.gz CDEBOIFVIXJGMD-KRWDZBQOSA-N 1 1 295.386 3.442 20 30 CGEDMO C=C(C)COc1cc(C[NH2+][C@@H](CC)CC#N)ccc1OC ZINC000184083379 262007407 /nfs/dbraw/zinc/00/74/07/262007407.db2.gz OVKJIOVSJOGSHS-HNNXBMFYSA-N 1 1 288.391 3.432 20 30 CGEDMO C=C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000309921172 262053108 /nfs/dbraw/zinc/05/31/08/262053108.db2.gz QXAJFUUTHMZGJI-DZJNRPSUSA-N 1 1 270.420 3.061 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH+]1CCC(c2ccsc2)CC1 ZINC000186930448 262116638 /nfs/dbraw/zinc/11/66/38/262116638.db2.gz VJHNTOYEJOHXTQ-ZDUSSCGKSA-N 1 1 273.405 3.371 20 30 CGEDMO CSC[C@@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000310522178 262163845 /nfs/dbraw/zinc/16/38/45/262163845.db2.gz NUOAWDXZDYZCAC-CYBMUJFWSA-N 1 1 254.443 3.391 20 30 CGEDMO CCCCCCC[N@H+]1CCOC2(CCOCC2)CC1 ZINC000364241007 262189445 /nfs/dbraw/zinc/18/94/45/262189445.db2.gz MKMYDXDCJXKFHD-UHFFFAOYSA-N 1 1 269.429 3.228 20 30 CGEDMO N#CCC[NH+]1CCC(Cc2ccc(F)c(F)c2)CC1 ZINC000364263709 262192023 /nfs/dbraw/zinc/19/20/23/262192023.db2.gz QKOJHTAQBXRWGE-UHFFFAOYSA-N 1 1 264.319 3.133 20 30 CGEDMO COC(=O)c1cccc(C[N@H+](CCC#N)CC(C)(C)C)c1 ZINC000111250867 262258156 /nfs/dbraw/zinc/25/81/56/262258156.db2.gz RPKYVLORVNPVCI-UHFFFAOYSA-N 1 1 288.391 3.235 20 30 CGEDMO COC(=O)c1cccc(C[N@@H+](CCC#N)CC(C)(C)C)c1 ZINC000111250867 262258158 /nfs/dbraw/zinc/25/81/58/262258158.db2.gz RPKYVLORVNPVCI-UHFFFAOYSA-N 1 1 288.391 3.235 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]Cc1cccc2c1OCO2 ZINC000058065463 262350577 /nfs/dbraw/zinc/35/05/77/262350577.db2.gz QRNFTGQKWWFMOS-UHFFFAOYSA-N 1 1 297.354 3.270 20 30 CGEDMO C=C[C@@H](C)[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000336678601 262378778 /nfs/dbraw/zinc/37/87/78/262378778.db2.gz AFHHOQJYFUNSKO-RQJHMYQMSA-N 1 1 250.289 3.387 20 30 CGEDMO CC[C@H]1C[N@@H+](CCCCC(C)(C)C#N)C[C@H](C)O1 ZINC000336783641 262394619 /nfs/dbraw/zinc/39/46/19/262394619.db2.gz DARXLBKUYKMENN-KBPBESRZSA-N 1 1 252.402 3.206 20 30 CGEDMO CC(C)C[C@@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000266713838 262918341 /nfs/dbraw/zinc/91/83/41/262918341.db2.gz IFHOYNNUIZMBSJ-INIZCTEOSA-N 1 1 272.392 3.457 20 30 CGEDMO Cc1cc(C2CC[NH+](CCCC(C)(C)C#N)CC2)n[nH]1 ZINC000272928295 263009955 /nfs/dbraw/zinc/00/99/55/263009955.db2.gz JSBKZJKYLLHEEM-UHFFFAOYSA-N 1 1 274.412 3.228 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000276262800 263035302 /nfs/dbraw/zinc/03/53/02/263035302.db2.gz BJZRNXPBYAMSTE-UKRRQHHQSA-N 1 1 288.366 3.413 20 30 CGEDMO C[C@H](c1ccsc1)N1CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000276563814 263037296 /nfs/dbraw/zinc/03/72/96/263037296.db2.gz MBKGXYCXIHGHDL-UONOGXRCSA-N 1 1 277.437 3.119 20 30 CGEDMO Cc1cccc2c1C[N@@H+](CCCSCC#N)CC2 ZINC000277156982 263039936 /nfs/dbraw/zinc/03/99/36/263039936.db2.gz JYPPPEVTBQEUHH-UHFFFAOYSA-N 1 1 260.406 3.000 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)CCCCC(C)(C)C#N)n1 ZINC000279802472 263057573 /nfs/dbraw/zinc/05/75/73/263057573.db2.gz WVRNZBQDDIIGQW-UHFFFAOYSA-N 1 1 286.423 3.058 20 30 CGEDMO C[N@@H+](Cc1ccc(Br)o1)[C@@H]1CC[C@@H](C#N)C1 ZINC000280954825 263065252 /nfs/dbraw/zinc/06/52/52/263065252.db2.gz JBRFNYADBKLBOO-NXEZZACHSA-N 1 1 283.169 3.166 20 30 CGEDMO C[C@@H](c1cccnc1)[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000281940533 263073108 /nfs/dbraw/zinc/07/31/08/263073108.db2.gz ISFKTUTWLHPVCS-HNNXBMFYSA-N 1 1 287.407 3.175 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000340192932 263087533 /nfs/dbraw/zinc/08/75/33/263087533.db2.gz UODAVKLPXZEFRT-RYUDHWBXSA-N 1 1 292.345 3.094 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)CCc1cnn(CC)c1 ZINC000284838149 263088118 /nfs/dbraw/zinc/08/81/18/263088118.db2.gz BWOGMDYSAPUULZ-UHFFFAOYSA-N 1 1 276.428 3.097 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)CC[C@@H](O)c1ccccc1 ZINC000286373571 263098212 /nfs/dbraw/zinc/09/82/12/263098212.db2.gz KBGOAPZSXONHFF-MRXNPFEDSA-N 1 1 274.408 3.372 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1cccc(C)c1 ZINC000340410548 263136976 /nfs/dbraw/zinc/13/69/76/263136976.db2.gz UMFRVIHTGAJAER-MRXNPFEDSA-N 1 1 286.419 3.016 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)CCC#N ZINC000298134949 263215810 /nfs/dbraw/zinc/21/58/10/263215810.db2.gz NVCRSKHNRBLCLN-AWEZNQCLSA-N 1 1 253.349 3.239 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000340955736 263313739 /nfs/dbraw/zinc/31/37/39/263313739.db2.gz SWWSNYKDMWYSQP-LSDHHAIUSA-N 1 1 261.413 3.344 20 30 CGEDMO C=C1CC[NH+]([C@H](C)C(=O)Nc2ccc(CC)cc2)CC1 ZINC000341997568 263373855 /nfs/dbraw/zinc/37/38/55/263373855.db2.gz UMFRRMMNWRDONM-CQSZACIVSA-N 1 1 272.392 3.228 20 30 CGEDMO C=C1CC[NH+]([C@@H](C)C(=O)N(CC)c2ccccc2)CC1 ZINC000341986098 263381057 /nfs/dbraw/zinc/38/10/57/263381057.db2.gz UKFPMYRLLZJLGB-HNNXBMFYSA-N 1 1 272.392 3.080 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@H](COCC)C2)c1 ZINC000126567204 264214128 /nfs/dbraw/zinc/21/41/28/264214128.db2.gz XTCJBVOVFDZKLU-KRWDZBQOSA-N 1 1 289.419 3.500 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)[C@H]1CCN(C(C)(C)C)C1=O ZINC000425388959 264221465 /nfs/dbraw/zinc/22/14/65/264221465.db2.gz XXOHBLSAWFHPMG-INIZCTEOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@H]1CCN(C(C)(C)C)C1=O ZINC000425388959 264221466 /nfs/dbraw/zinc/22/14/66/264221466.db2.gz XXOHBLSAWFHPMG-INIZCTEOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](C)CCC2CCOCC2)c1 ZINC000129641973 264328184 /nfs/dbraw/zinc/32/81/84/264328184.db2.gz JGXSADZHZKYSND-UHFFFAOYSA-N 1 1 289.419 3.500 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)Nc1ccc(C)cc1C ZINC000076734907 264343044 /nfs/dbraw/zinc/34/30/44/264343044.db2.gz INWDJAJDDGQSIE-UHFFFAOYSA-N 1 1 260.381 3.140 20 30 CGEDMO C=CCCC[N@H+](C)CCCS(=O)(=O)c1ccc(C)cc1 ZINC000091579622 264426545 /nfs/dbraw/zinc/42/65/45/264426545.db2.gz SCNWZAPABQCTMS-UHFFFAOYSA-N 1 1 295.448 3.057 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000335103238 265094310 /nfs/dbraw/zinc/09/43/10/265094310.db2.gz LZBABTVYSXHVHK-HOCLYGCPSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1ccc(F)c(Cl)c1)C1CC1 ZINC000357535271 266317371 /nfs/dbraw/zinc/31/73/71/266317371.db2.gz ZRADNQUCVJFWDK-UHFFFAOYSA-N 1 1 282.746 3.068 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1ccc(F)c(Cl)c1)C1CC1 ZINC000357535271 266317374 /nfs/dbraw/zinc/31/73/74/266317374.db2.gz ZRADNQUCVJFWDK-UHFFFAOYSA-N 1 1 282.746 3.068 20 30 CGEDMO C=C[C@H](C)NC(=O)c1ccc(C[N@H+](CC)CCC)cc1 ZINC000362616893 267023686 /nfs/dbraw/zinc/02/36/86/267023686.db2.gz YZKHPHYTGSIAJB-AWEZNQCLSA-N 1 1 274.408 3.223 20 30 CGEDMO CCOC1CC2(C1)CC[N@@H+](CCCC(C)(C)C#N)C2 ZINC000367585462 267102483 /nfs/dbraw/zinc/10/24/83/267102483.db2.gz MCFMLRMOAXCIHW-UHFFFAOYSA-N 1 1 264.413 3.207 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000367821346 267120210 /nfs/dbraw/zinc/12/02/10/267120210.db2.gz GZDSSDQADZOMBF-INIZCTEOSA-N 1 1 278.440 3.455 20 30 CGEDMO C=C(Br)C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000369416565 267241454 /nfs/dbraw/zinc/24/14/54/267241454.db2.gz HJPTXMZCPONNHZ-STQMWFEESA-N 1 1 288.229 3.034 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]CC1(C#N)CCC1 ZINC000418135148 267355394 /nfs/dbraw/zinc/35/53/94/267355394.db2.gz ACHBTXAQDRWPFN-UHFFFAOYSA-N 1 1 256.349 3.035 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc(OCC(F)F)cc2)CCC1 ZINC000418143344 267365238 /nfs/dbraw/zinc/36/52/38/267365238.db2.gz PEACULXFWCXPNS-UHFFFAOYSA-N 1 1 280.318 3.114 20 30 CGEDMO C#CCC[N@H+]1CCCC[C@@H]1c1nc2ccccc2o1 ZINC000371208166 267370565 /nfs/dbraw/zinc/37/05/65/267370565.db2.gz NSTIYWKZMHBHHK-CQSZACIVSA-N 1 1 254.333 3.378 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCC[C@]23CCOC3)c1 ZINC000375306231 267845690 /nfs/dbraw/zinc/84/56/90/267845690.db2.gz BTICGVABXUWUMX-QGZVFWFLSA-N 1 1 273.376 3.006 20 30 CGEDMO CC[N@H+](CCO[C@@H]1CCCC[C@H]1C)C[C@@H](C)C#N ZINC000353287836 276133981 /nfs/dbraw/zinc/13/39/81/276133981.db2.gz SLWQMNCGXSSMIM-RRFJBIMHSA-N 1 1 252.402 3.063 20 30 CGEDMO CC[N@@H+](CCO[C@@H]1CCCC[C@H]1C)C[C@@H](C)C#N ZINC000353287836 276133983 /nfs/dbraw/zinc/13/39/83/276133983.db2.gz SLWQMNCGXSSMIM-RRFJBIMHSA-N 1 1 252.402 3.063 20 30 CGEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)CC1CCOCC1 ZINC000340684824 277381289 /nfs/dbraw/zinc/38/12/89/277381289.db2.gz PRJZDRYRCRWCRC-UHFFFAOYSA-N 1 1 286.419 3.443 20 30 CGEDMO CC[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(C#N)cc1 ZINC000278631546 288068804 /nfs/dbraw/zinc/06/88/04/288068804.db2.gz GYLHVTVMYAEQLM-SQNIBIBYSA-N 1 1 285.435 3.472 20 30 CGEDMO C[C@H]([NH2+][C@@H]1C[C@H](C)n2ccnc21)c1ccc(C#N)cc1 ZINC000294036725 279526757 /nfs/dbraw/zinc/52/67/57/279526757.db2.gz IJKTWTAXVOCUIQ-SLEUVZQESA-N 1 1 266.348 3.111 20 30 CGEDMO Cc1ccc2c(c1)CC[N@H+](Cc1cccc(C#N)c1)C2 ZINC000361727065 281054238 /nfs/dbraw/zinc/05/42/38/281054238.db2.gz LSPQGLDUUNFCAU-UHFFFAOYSA-N 1 1 262.356 3.425 20 30 CGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H](CC3CC3)C2)cc1 ZINC000550414718 289076431 /nfs/dbraw/zinc/07/64/31/289076431.db2.gz OTNVRNJTVBKPEF-MRXNPFEDSA-N 1 1 297.402 3.009 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459802630 290221189 /nfs/dbraw/zinc/22/11/89/290221189.db2.gz MWDRXZQUKGQCHX-MDASCCDHSA-N 1 1 298.430 3.492 20 30 CGEDMO Cc1cc(Br)ccc1C[NH2+]C[C@H](C)C#N ZINC000183829127 327766363 /nfs/dbraw/zinc/76/63/63/327766363.db2.gz HLDOFIJTDQZAEC-SECBINFHSA-N 1 1 267.170 3.007 20 30 CGEDMO C=CCOCC[N@H+](CC)[C@H](C)Cc1ccc(OC)cc1 ZINC000563635479 328079361 /nfs/dbraw/zinc/07/93/61/328079361.db2.gz JKKXFCVGPWWAIN-OAHLLOKOSA-N 1 1 277.408 3.151 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000411267100 328081463 /nfs/dbraw/zinc/08/14/63/328081463.db2.gz KQWJHRFWTBXJAV-GOEBONIOSA-N 1 1 258.365 3.222 20 30 CGEDMO Cc1cnn([C@H]2CC[N@@H+](CCC3(C#N)CCCCC3)C2)c1 ZINC000411746601 328098550 /nfs/dbraw/zinc/09/85/50/328098550.db2.gz OVZMGFZGEJFVQA-INIZCTEOSA-N 1 1 286.423 3.303 20 30 CGEDMO COC(=O)[C@]1(C)CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000412060568 328101829 /nfs/dbraw/zinc/10/18/29/328101829.db2.gz GESACTJXCKDIBO-MRXNPFEDSA-N 1 1 292.423 3.126 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412082779 328102928 /nfs/dbraw/zinc/10/29/28/328102928.db2.gz XVWMGOAIWFFNAZ-AWEZNQCLSA-N 1 1 267.413 3.396 20 30 CGEDMO CCc1ncc(C[NH2+][C@@H](CCC#N)c2ccccc2)cn1 ZINC000414357360 328154898 /nfs/dbraw/zinc/15/48/98/328154898.db2.gz CSMHXYXXKMMDQT-INIZCTEOSA-N 1 1 280.375 3.174 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000184086387 329255941 /nfs/dbraw/zinc/25/59/41/329255941.db2.gz NJIKJGQKGDIETR-GFCCVEGCSA-N 1 1 268.307 3.112 20 30 CGEDMO C[N@@H+](CC1(c2ccccc2)CC1)[C@@H]1CC[C@H](C#N)C1 ZINC000294755031 328282981 /nfs/dbraw/zinc/28/29/81/328282981.db2.gz XVQQVKYCBRYCNG-GOEBONIOSA-N 1 1 254.377 3.342 20 30 CGEDMO Cc1cnccc1C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000564879009 322047311 /nfs/dbraw/zinc/04/73/11/322047311.db2.gz MWYRJNKDIMUXFN-CQSZACIVSA-N 1 1 265.360 3.455 20 30 CGEDMO C[C@@H]1c2c(F)cccc2CC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000567663395 322172606 /nfs/dbraw/zinc/17/26/06/322172606.db2.gz IPUGXDYXAIVFON-GFCCVEGCSA-N 1 1 283.350 3.155 20 30 CGEDMO C[C@@H]1c2c(F)cccc2CC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000567663395 322172609 /nfs/dbraw/zinc/17/26/09/322172609.db2.gz IPUGXDYXAIVFON-GFCCVEGCSA-N 1 1 283.350 3.155 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000567811262 322178963 /nfs/dbraw/zinc/17/89/63/322178963.db2.gz ZWMGHCPTOIBEHZ-UONOGXRCSA-N 1 1 270.376 3.263 20 30 CGEDMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567986915 322186541 /nfs/dbraw/zinc/18/65/41/322186541.db2.gz IYYQYRMIWFFDLK-RISCZKNCSA-N 1 1 273.336 3.229 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC=C(c3ccccn3)C2)ccc1F ZINC000568828140 322223936 /nfs/dbraw/zinc/22/39/36/322223936.db2.gz MWYVZHLMONLNNY-UHFFFAOYSA-N 1 1 293.345 3.382 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC=C(c3ccccn3)C2)ccc1F ZINC000568828140 322223938 /nfs/dbraw/zinc/22/39/38/322223938.db2.gz MWYVZHLMONLNNY-UHFFFAOYSA-N 1 1 293.345 3.382 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)nc1 ZINC000568879799 322225848 /nfs/dbraw/zinc/22/58/48/322225848.db2.gz MCRMMHOJDJKAFJ-SFHVURJKSA-N 1 1 295.361 3.299 20 30 CGEDMO CCCC[N@H+](C)CCN[C@@H](CC)c1ccc(C#N)cc1 ZINC000573068270 322368728 /nfs/dbraw/zinc/36/87/28/322368728.db2.gz PRPCPIDPNLTNPV-KRWDZBQOSA-N 1 1 273.424 3.331 20 30 CGEDMO CCCC[N@@H+](C)CCN[C@@H](CC)c1ccc(C#N)cc1 ZINC000573068270 322368731 /nfs/dbraw/zinc/36/87/31/322368731.db2.gz PRPCPIDPNLTNPV-KRWDZBQOSA-N 1 1 273.424 3.331 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000573448752 322388448 /nfs/dbraw/zinc/38/84/48/322388448.db2.gz JWUMAEQUUAYKFR-WQVCFCJDSA-N 1 1 299.374 3.477 20 30 CGEDMO Cc1[nH+]ccn1CCCCSc1cccnc1C#N ZINC000574464599 322442222 /nfs/dbraw/zinc/44/22/22/322442222.db2.gz NWBWZOKFCOGDCV-UHFFFAOYSA-N 1 1 272.377 3.031 20 30 CGEDMO C=CCCC[N@@H+](C)[C@@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000121063722 328365300 /nfs/dbraw/zinc/36/53/00/328365300.db2.gz KTNGMMOPXDUUCX-ZDUSSCGKSA-N 1 1 290.407 3.303 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000121063722 328365301 /nfs/dbraw/zinc/36/53/01/328365301.db2.gz KTNGMMOPXDUUCX-ZDUSSCGKSA-N 1 1 290.407 3.303 20 30 CGEDMO C=CC[N@@H+](CCn1cccn1)Cc1ccc(Cl)s1 ZINC000049982912 328384975 /nfs/dbraw/zinc/38/49/75/328384975.db2.gz XXYLYSQPRBWAOU-UHFFFAOYSA-N 1 1 281.812 3.286 20 30 CGEDMO C=CC[N@H+](CCn1cccn1)Cc1ccc(Cl)s1 ZINC000049982912 328384976 /nfs/dbraw/zinc/38/49/76/328384976.db2.gz XXYLYSQPRBWAOU-UHFFFAOYSA-N 1 1 281.812 3.286 20 30 CGEDMO C=CCOCC[N@@H+]1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000559106944 327141740 /nfs/dbraw/zinc/14/17/40/327141740.db2.gz PEOOPQOSHFTSOY-CZUORRHYSA-N 1 1 263.356 3.411 20 30 CGEDMO C=CC[N@@H+](C)CCc1cccc(Br)c1 ZINC000154763935 327386335 /nfs/dbraw/zinc/38/63/35/327386335.db2.gz TUWGMMVCXIFFLZ-UHFFFAOYSA-N 1 1 254.171 3.109 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1ccccc1C(F)(F)F ZINC000168935486 329062410 /nfs/dbraw/zinc/06/24/10/329062410.db2.gz SWNIPQSUXJSGDN-UHFFFAOYSA-N 1 1 256.271 3.345 20 30 CGEDMO CCc1cc(C[NH2+][C@@H](CC)c2ccc(C#N)cc2)on1 ZINC000582705419 329128643 /nfs/dbraw/zinc/12/86/43/329128643.db2.gz JQEWZFCGHABNMH-INIZCTEOSA-N 1 1 269.348 3.350 20 30 CGEDMO CCCC[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCO ZINC000177026463 329180392 /nfs/dbraw/zinc/18/03/92/329180392.db2.gz VKUWTNHBCBICHL-UHFFFAOYSA-N 1 1 299.336 3.151 20 30 CGEDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000177163528 329180717 /nfs/dbraw/zinc/18/07/17/329180717.db2.gz AOUSZUOVKNCQQM-IRXDYDNUSA-N 1 1 291.822 3.317 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cc(OC)cc2c1O[C@H](C)C2 ZINC000181053630 329225500 /nfs/dbraw/zinc/22/55/00/329225500.db2.gz IMFFKOIIUBFQEP-GFCCVEGCSA-N 1 1 261.365 3.027 20 30 CGEDMO C=C(C)C[N@@H+](C)CCC(=O)Nc1ccc(Cl)cc1 ZINC000181307894 329230775 /nfs/dbraw/zinc/23/07/75/329230775.db2.gz HHQUSBXTOBBFMQ-UHFFFAOYSA-N 1 1 266.772 3.177 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000181313425 329231175 /nfs/dbraw/zinc/23/11/75/329231175.db2.gz INWOCZQCAKWESQ-NSHDSACASA-N 1 1 289.404 3.131 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000181313425 329231177 /nfs/dbraw/zinc/23/11/77/329231177.db2.gz INWOCZQCAKWESQ-NSHDSACASA-N 1 1 289.404 3.131 20 30 CGEDMO Cc1nc(-c2ccccc2)sc1C[NH2+]CCC#N ZINC000583138670 329325598 /nfs/dbraw/zinc/32/55/98/329325598.db2.gz DRSDWSREOPTODV-UHFFFAOYSA-N 1 1 257.362 3.122 20 30 CGEDMO CC[N@H+](CCC#N)C[C@H]1CCC2(CCCCC2)O1 ZINC000228051847 329335479 /nfs/dbraw/zinc/33/54/79/329335479.db2.gz ZCUVWGYLDAUENY-CQSZACIVSA-N 1 1 250.386 3.104 20 30 CGEDMO CC[N@@H+](CCC#N)C[C@H]1CCC2(CCCCC2)O1 ZINC000228051847 329335481 /nfs/dbraw/zinc/33/54/81/329335481.db2.gz ZCUVWGYLDAUENY-CQSZACIVSA-N 1 1 250.386 3.104 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000186008606 329335706 /nfs/dbraw/zinc/33/57/06/329335706.db2.gz VPSUKKFNYRSQDI-HZPDHXFCSA-N 1 1 288.435 3.225 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186436584 329342509 /nfs/dbraw/zinc/34/25/09/329342509.db2.gz SXORJKWWDDQBEC-GOSISDBHSA-N 1 1 284.403 3.448 20 30 CGEDMO C#CCOc1ccc(C[NH2+][C@H](C)c2csc(C)n2)cc1 ZINC000264950993 330062012 /nfs/dbraw/zinc/06/20/12/330062012.db2.gz KSYRLXQLIFBMLM-GFCCVEGCSA-N 1 1 286.400 3.314 20 30 CGEDMO C=C(C)CC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000274770132 330107874 /nfs/dbraw/zinc/10/78/74/330107874.db2.gz HCVMAYHNKZAQKI-INIZCTEOSA-N 1 1 275.392 3.339 20 30 CGEDMO CCn1nccc1C[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000429713704 330118770 /nfs/dbraw/zinc/11/87/70/330118770.db2.gz DXCSILZWRHOJGU-UHFFFAOYSA-N 1 1 296.418 3.336 20 30 CGEDMO CCn1nccc1C[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000429713704 330118772 /nfs/dbraw/zinc/11/87/72/330118772.db2.gz DXCSILZWRHOJGU-UHFFFAOYSA-N 1 1 296.418 3.336 20 30 CGEDMO N#Cc1cccc(NC[C@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC000580419175 330128438 /nfs/dbraw/zinc/12/84/38/330128438.db2.gz GLWBWBMXBQVSQJ-MRXNPFEDSA-N 1 1 284.407 3.162 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000424586632 330390306 /nfs/dbraw/zinc/39/03/06/330390306.db2.gz FTSAFGSPLNRPJB-HNNXBMFYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)[C@@H](C)CC ZINC000121236555 330398356 /nfs/dbraw/zinc/39/83/56/330398356.db2.gz FIUZOIQYTQMUMY-AWEZNQCLSA-N 1 1 299.418 3.490 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cnc(-c2ccccc2OC)nc1 ZINC000430007619 330557133 /nfs/dbraw/zinc/55/71/33/330557133.db2.gz NGLFOFZXZTYQEZ-UHFFFAOYSA-N 1 1 295.386 3.326 20 30 CGEDMO CC(C)[N@@H+](Cc1ccccc1C(C)(C)C#N)C1COC1 ZINC000451119919 331016318 /nfs/dbraw/zinc/01/63/18/331016318.db2.gz HZLONNIOUJYKOX-UHFFFAOYSA-N 1 1 272.392 3.097 20 30 CGEDMO C=CC(C)(C)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000452772535 331075781 /nfs/dbraw/zinc/07/57/81/331075781.db2.gz FSKHHDFOWQIVCY-OAHLLOKOSA-N 1 1 278.440 3.112 20 30 CGEDMO CC(C)[C@@H]1[N@@H+](C[C@@H](C#N)CCC#N)CC12CCCC2 ZINC000453034112 331084390 /nfs/dbraw/zinc/08/43/90/331084390.db2.gz JAYALGFIWLOGGE-CABCVRRESA-N 1 1 259.397 3.331 20 30 CGEDMO C=CCCCCNC(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000455649369 331174858 /nfs/dbraw/zinc/17/48/58/331174858.db2.gz YBRDTNHXMQMEDZ-UHFFFAOYSA-N 1 1 272.352 3.121 20 30 CGEDMO C=CC[N@H+](CCn1cc(Cl)cn1)Cc1cccs1 ZINC000459309660 331275647 /nfs/dbraw/zinc/27/56/47/331275647.db2.gz YYHITYQQUNEPTP-UHFFFAOYSA-N 1 1 281.812 3.286 20 30 CGEDMO CC#CCC[N@H+]1CC[C@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459673460 331293550 /nfs/dbraw/zinc/29/35/50/331293550.db2.gz YYXVKMBFDDEYKI-ZDUSSCGKSA-N 1 1 289.341 3.081 20 30 CGEDMO CC#CCC[N@@H+]1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 ZINC000462467121 331322485 /nfs/dbraw/zinc/32/24/85/331322485.db2.gz QIVXPGNDDFFPEG-WMLDXEAASA-N 1 1 257.377 3.492 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cc(Br)cc2c1OCC2 ZINC000462794015 331329392 /nfs/dbraw/zinc/32/93/92/331329392.db2.gz WIIMHRPLFACAOI-UHFFFAOYSA-N 1 1 296.208 3.392 20 30 CGEDMO CC#CCCCC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000464434588 331360445 /nfs/dbraw/zinc/36/04/45/331360445.db2.gz ALPMNDJMOXPMDE-AEFFLSMTSA-N 1 1 298.430 3.132 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(F)cc1 ZINC000489400499 332050305 /nfs/dbraw/zinc/05/03/05/332050305.db2.gz IJMOUCPZIUVOJJ-HNNXBMFYSA-N 1 1 276.355 3.195 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccsc2)no1 ZINC000489438170 332052219 /nfs/dbraw/zinc/05/22/19/332052219.db2.gz LZZYHKXIWCBOTG-LBPRGKRZSA-N 1 1 275.377 3.339 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1nc(-c2ccsc2)no1 ZINC000489438170 332052221 /nfs/dbraw/zinc/05/22/21/332052221.db2.gz LZZYHKXIWCBOTG-LBPRGKRZSA-N 1 1 275.377 3.339 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1c(C)nc2ccccn21 ZINC000489452246 332053356 /nfs/dbraw/zinc/05/33/56/332053356.db2.gz VWQZHKFFXCAQKB-CQSZACIVSA-N 1 1 255.365 3.183 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1nnc(-c2ccc(OC)cc2)o1 ZINC000489458514 332053845 /nfs/dbraw/zinc/05/38/45/332053845.db2.gz DTRFSQRHVRRATM-AWEZNQCLSA-N 1 1 299.374 3.286 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1nnc(-c2ccc(OC)cc2)o1 ZINC000489458514 332053846 /nfs/dbraw/zinc/05/38/46/332053846.db2.gz DTRFSQRHVRRATM-AWEZNQCLSA-N 1 1 299.374 3.286 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1c(C)cccc1C ZINC000489488071 332055812 /nfs/dbraw/zinc/05/58/12/332055812.db2.gz VYZAJRSTVNVRQX-DLBZAZTESA-N 1 1 289.419 3.084 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccccc1C(=O)OC ZINC000489490840 332055994 /nfs/dbraw/zinc/05/59/94/332055994.db2.gz ZWMMZXXNNXZOCS-AWEZNQCLSA-N 1 1 259.349 3.014 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N(C(C)C)C1CCCC1 ZINC000489519694 332058139 /nfs/dbraw/zinc/05/81/39/332058139.db2.gz XIVGTPUNCIHCTN-OAHLLOKOSA-N 1 1 278.440 3.207 20 30 CGEDMO C#CC[N@@H+](CCCC1(C#N)CCOCC1)C1CCCCC1 ZINC000490637140 332098602 /nfs/dbraw/zinc/09/86/02/332098602.db2.gz QAEGHRPRKKSOIX-UHFFFAOYSA-N 1 1 288.435 3.355 20 30 CGEDMO C#CC[N@@H+](Cc1cncn1Cc1ccccc1)C1CCCC1 ZINC000490715267 332108056 /nfs/dbraw/zinc/10/80/56/332108056.db2.gz WBPSBCZXFZRAPK-UHFFFAOYSA-N 1 1 293.414 3.309 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(C(=O)OC)cc1 ZINC000491344358 332193885 /nfs/dbraw/zinc/19/38/85/332193885.db2.gz ZLHUWZTYZWYPCR-UHFFFAOYSA-N 1 1 299.370 3.297 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(CSC(F)F)o1 ZINC000491427954 332209718 /nfs/dbraw/zinc/20/97/18/332209718.db2.gz MQVRUNJCAGKKLU-VIFPVBQESA-N 1 1 259.321 3.189 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(CSC(F)F)o1 ZINC000491427954 332209719 /nfs/dbraw/zinc/20/97/19/332209719.db2.gz MQVRUNJCAGKKLU-VIFPVBQESA-N 1 1 259.321 3.189 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1cccc(-c2ccccn2)c1 ZINC000491681395 332284680 /nfs/dbraw/zinc/28/46/80/332284680.db2.gz MUFHOHCZSSUOBS-AWEZNQCLSA-N 1 1 250.345 3.202 20 30 CGEDMO C#CC[N@H+](Cc1oc(CC)nc1C)C1CCCCC1 ZINC000491818474 332368872 /nfs/dbraw/zinc/36/88/72/332368872.db2.gz QGUFVHZKNGULBN-UHFFFAOYSA-N 1 1 260.381 3.313 20 30 CGEDMO C#CC[N@@H+](Cc1cccc(C)c1)Cc1ccccn1 ZINC000177646726 333061439 /nfs/dbraw/zinc/06/14/39/333061439.db2.gz LJRGKPPBPSFGHT-UHFFFAOYSA-N 1 1 250.345 3.025 20 30 CGEDMO C#CC[N@H+](Cc1cccc(C)c1)Cc1ccccn1 ZINC000177646726 333061440 /nfs/dbraw/zinc/06/14/40/333061440.db2.gz LJRGKPPBPSFGHT-UHFFFAOYSA-N 1 1 250.345 3.025 20 30 CGEDMO C[N@@H+](CC#Cc1ccccc1)Cc1ccc(F)cc1 ZINC000191877389 333226664 /nfs/dbraw/zinc/22/66/64/333226664.db2.gz VEUQCINCOSOAHN-UHFFFAOYSA-N 1 1 253.320 3.309 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000523760335 333344333 /nfs/dbraw/zinc/34/43/33/333344333.db2.gz QDLNEQVRXDFMHL-FUHWJXTLSA-N 1 1 298.430 3.065 20 30 CGEDMO C=CCCCCCN(C)C(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000524801338 333388743 /nfs/dbraw/zinc/38/87/43/333388743.db2.gz WMLLLTWGSNJJHF-MRXNPFEDSA-N 1 1 295.471 3.249 20 30 CGEDMO CC#CC[N@H+](C)Cc1ccc2cc(OC)ccc2c1 ZINC000525119961 333399336 /nfs/dbraw/zinc/39/93/36/333399336.db2.gz FRYNZERWBGOPIW-UHFFFAOYSA-N 1 1 253.345 3.304 20 30 CGEDMO CC[N@@H+](Cc1cccc(OCCCC#N)c1)C1CC1 ZINC000133304010 334036341 /nfs/dbraw/zinc/03/63/41/334036341.db2.gz QKMUQVWVAGJVRP-UHFFFAOYSA-N 1 1 258.365 3.353 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000152644761 334099200 /nfs/dbraw/zinc/09/92/00/334099200.db2.gz ODGQXSGFGLHTPS-LBPRGKRZSA-N 1 1 262.422 3.387 20 30 CGEDMO Clc1ccccc1C#CC[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000134986489 334110799 /nfs/dbraw/zinc/11/07/99/334110799.db2.gz XELABOBOIOLEMC-CQSZACIVSA-N 1 1 289.806 3.192 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000079502870 334155872 /nfs/dbraw/zinc/15/58/72/334155872.db2.gz XHMHYMXEXQVHQV-QGZVFWFLSA-N 1 1 259.393 3.286 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000246147333 334236510 /nfs/dbraw/zinc/23/65/10/334236510.db2.gz ZASYIUVRJHEBTK-XHSDSOJGSA-N 1 1 292.467 3.237 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)c1 ZINC000552423022 334326237 /nfs/dbraw/zinc/32/62/37/334326237.db2.gz NKRHPHWJCCIHOK-RTBURBONSA-N 1 1 299.414 3.395 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)c1 ZINC000552423022 334326238 /nfs/dbraw/zinc/32/62/38/334326238.db2.gz NKRHPHWJCCIHOK-RTBURBONSA-N 1 1 299.414 3.395 20 30 CGEDMO COc1ccccc1C[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000342693824 335185549 /nfs/dbraw/zinc/18/55/49/335185549.db2.gz NDWRVDGWGVZSQF-UHFFFAOYSA-N 1 1 280.371 3.393 20 30 CGEDMO CC(C)(C)C1=CC[N@@H+](CCNc2cccc(C#N)n2)CC1 ZINC000576368006 335195676 /nfs/dbraw/zinc/19/56/76/335195676.db2.gz AKULEKOGTYRMSE-UHFFFAOYSA-N 1 1 284.407 3.043 20 30 CGEDMO C=C1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000576528615 335215828 /nfs/dbraw/zinc/21/58/28/335215828.db2.gz KFCDUIOCDNKJJL-OAHLLOKOSA-N 1 1 292.810 3.121 20 30 CGEDMO C=C(C)[C@@H]1OCC[C@@H]1CNc1[nH+]ccc2cc(F)ccc21 ZINC000576938313 335266322 /nfs/dbraw/zinc/26/63/22/335266322.db2.gz AHWVPKDLEFWJKD-CJNGLKHVSA-N 1 1 286.350 3.189 20 30 CGEDMO CCN(CC)[C@@H](C[NH2+]Cc1cc(C#N)cs1)CC(C)C ZINC000177684223 335378840 /nfs/dbraw/zinc/37/88/40/335378840.db2.gz TWFZWHHGVVMMJL-OAHLLOKOSA-N 1 1 293.480 3.466 20 30 CGEDMO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(CC#N)cc2)s1 ZINC000348517884 335427684 /nfs/dbraw/zinc/42/76/84/335427684.db2.gz YZLQWKMEOUUISU-GFCCVEGCSA-N 1 1 271.389 3.368 20 30 CGEDMO C=CC[N@@H+](CCOC)[C@H](C)c1cc(F)ccc1F ZINC000195002638 336042588 /nfs/dbraw/zinc/04/25/88/336042588.db2.gz PRZCHCOPUYEOQK-LLVKDONJSA-N 1 1 255.308 3.160 20 30 CGEDMO C=CC[N@H+](CCOC)[C@H](C)c1cc(F)ccc1F ZINC000195002638 336042590 /nfs/dbraw/zinc/04/25/90/336042590.db2.gz PRZCHCOPUYEOQK-LLVKDONJSA-N 1 1 255.308 3.160 20 30 CGEDMO C=CCCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000381926475 336077911 /nfs/dbraw/zinc/07/79/11/336077911.db2.gz PYTWSUQKDNIDBW-RBUKOAKNSA-N 1 1 284.447 3.407 20 30 CGEDMO C=CCCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000381926475 336077912 /nfs/dbraw/zinc/07/79/12/336077912.db2.gz PYTWSUQKDNIDBW-RBUKOAKNSA-N 1 1 284.447 3.407 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000381926475 336077913 /nfs/dbraw/zinc/07/79/13/336077913.db2.gz PYTWSUQKDNIDBW-RBUKOAKNSA-N 1 1 284.447 3.407 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000381926475 336077914 /nfs/dbraw/zinc/07/79/14/336077914.db2.gz PYTWSUQKDNIDBW-RBUKOAKNSA-N 1 1 284.447 3.407 20 30 CGEDMO CC(C)[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])CC1CC1 ZINC000581593625 336108753 /nfs/dbraw/zinc/10/87/53/336108753.db2.gz WZIBIKDLJBSCLY-UHFFFAOYSA-N 1 1 273.336 3.087 20 30 CGEDMO CC(C)[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])CC1CC1 ZINC000581593625 336108755 /nfs/dbraw/zinc/10/87/55/336108755.db2.gz WZIBIKDLJBSCLY-UHFFFAOYSA-N 1 1 273.336 3.087 20 30 CGEDMO CC(C)[N@@H+](C)C[C@H](C)Nc1ccc(Cl)cc1C#N ZINC000386596490 336176551 /nfs/dbraw/zinc/17/65/51/336176551.db2.gz KGKZAFMZRTZJCX-NSHDSACASA-N 1 1 265.788 3.352 20 30 CGEDMO C[C@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc(C#N)cc1 ZINC000428311690 533928130 /nfs/dbraw/zinc/92/81/30/533928130.db2.gz CKTIHMGBLVBLDT-LBPRGKRZSA-N 1 1 279.318 3.420 20 30 CGEDMO C[C@@H]1C[C@H](Nc2ccc(C(F)(F)F)c(C#N)c2)CC[N@H+]1C ZINC000157959344 533968154 /nfs/dbraw/zinc/96/81/54/533968154.db2.gz YKYAAYOFDBKJDZ-ZWNOBZJWSA-N 1 1 297.324 3.472 20 30 CGEDMO Cc1nc(C[NH2+]Cc2ccc(C#N)c(C)c2)sc1C ZINC000444003614 534386205 /nfs/dbraw/zinc/38/62/05/534386205.db2.gz UIXXZVGFOSRHSW-UHFFFAOYSA-N 1 1 271.389 3.230 20 30 CGEDMO C=CCCC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000263966136 534615513 /nfs/dbraw/zinc/61/55/13/534615513.db2.gz GIMSKOLQYIPWML-CQSZACIVSA-N 1 1 280.799 3.025 20 30 CGEDMO CC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000037022698 523166694 /nfs/dbraw/zinc/16/66/94/523166694.db2.gz OWTKRWPPJAVPMI-MRXNPFEDSA-N 1 1 285.391 3.151 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000173804931 534774281 /nfs/dbraw/zinc/77/42/81/534774281.db2.gz SMNFPFSTRIYNHS-LRDDRELGSA-N 1 1 258.340 3.462 20 30 CGEDMO C[C@@H]1CC[C@@H](C)[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000088704559 524573355 /nfs/dbraw/zinc/57/33/55/524573355.db2.gz FUFZWVSNAKXJEV-ZIAGYGMSSA-N 1 1 285.391 3.007 20 30 CGEDMO C[C@@H]1C[C@@H](Nc2cccc(Cl)c2C#N)CC[N@H+]1C ZINC000157960835 525276629 /nfs/dbraw/zinc/27/66/29/525276629.db2.gz URCSPFBKWAXKFN-MNOVXSKESA-N 1 1 263.772 3.106 20 30 CGEDMO Cc1cnn(CCCCC[N@H+](C)Cc2cccc(C#N)c2)c1 ZINC000104098656 526260559 /nfs/dbraw/zinc/26/05/59/526260559.db2.gz AFOAFVFXADQFSE-UHFFFAOYSA-N 1 1 296.418 3.366 20 30 CGEDMO C=C(C)CC[N@@H+](Cc1cccs1)[C@H]1C=C[C@@H](CO)C1 ZINC000347313674 526442465 /nfs/dbraw/zinc/44/24/65/526442465.db2.gz GBEBWPHUPCDYPR-CABCVRRESA-N 1 1 277.433 3.453 20 30 CGEDMO C=C(C)C[N@@H+](CC[C@H]1CCCCO1)Cc1ccc(CO)o1 ZINC000352797985 526552853 /nfs/dbraw/zinc/55/28/53/526552853.db2.gz WURUBKTXSAAXIG-OAHLLOKOSA-N 1 1 293.407 3.109 20 30 CGEDMO C=C(C)C[NH+]1CCC(NCc2ccc(Cl)cc2)CC1 ZINC000106246009 526605157 /nfs/dbraw/zinc/60/51/57/526605157.db2.gz RMEWZTGDGHMEKF-UHFFFAOYSA-N 1 1 278.827 3.470 20 30 CGEDMO C=CCOc1ccc(CN2CC[N@H+](C)C[C@@H]2C)cc1Cl ZINC000353584315 526868232 /nfs/dbraw/zinc/86/82/32/526868232.db2.gz GDFLHINEYJTIEJ-ZDUSSCGKSA-N 1 1 294.826 3.041 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCOC(C)(C)[C@H]2C)c1 ZINC000353881211 526900347 /nfs/dbraw/zinc/90/03/47/526900347.db2.gz KVYPOAGOZDNAOD-CQSZACIVSA-N 1 1 275.392 3.251 20 30 CGEDMO C=C1CC[NH+](Cc2ccnn2-c2ccccc2C)CC1 ZINC000353664843 526904539 /nfs/dbraw/zinc/90/45/39/526904539.db2.gz ZCMQFOKAEBAFGL-UHFFFAOYSA-N 1 1 267.376 3.333 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000353175192 526933507 /nfs/dbraw/zinc/93/35/07/526933507.db2.gz RPSHEEXVNCIRQX-QGZVFWFLSA-N 1 1 275.392 3.108 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000353175192 526933512 /nfs/dbraw/zinc/93/35/12/526933512.db2.gz RPSHEEXVNCIRQX-QGZVFWFLSA-N 1 1 275.392 3.108 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000347643954 526983656 /nfs/dbraw/zinc/98/36/56/526983656.db2.gz DJHUKJYJYGWLCH-OAHLLOKOSA-N 1 1 264.413 3.207 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CCCC1 ZINC000334757371 527047650 /nfs/dbraw/zinc/04/76/50/527047650.db2.gz FCJNYCLIWDSRDS-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO CC[N@H+](Cc1occc1C)Cc1ccc(C#N)cc1OC ZINC000412022870 528917835 /nfs/dbraw/zinc/91/78/35/528917835.db2.gz ARCWSRDBWZGQLB-UHFFFAOYSA-N 1 1 284.359 3.490 20 30 CGEDMO CC[N@@H+](Cc1occc1C)Cc1ccc(C#N)cc1OC ZINC000412022870 528917839 /nfs/dbraw/zinc/91/78/39/528917839.db2.gz ARCWSRDBWZGQLB-UHFFFAOYSA-N 1 1 284.359 3.490 20 30 CGEDMO CC[C@@H]1CC[C@H](C)[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000451959212 535824234 /nfs/dbraw/zinc/82/42/34/535824234.db2.gz XZZQOLGSMFNQNW-NWDGAFQWSA-N 1 1 291.420 3.069 20 30 CGEDMO CC[C@@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000451959212 535824235 /nfs/dbraw/zinc/82/42/35/535824235.db2.gz XZZQOLGSMFNQNW-NWDGAFQWSA-N 1 1 291.420 3.069 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+](C)CCc1cccs1 ZINC000730260148 572333965 /nfs/dbraw/zinc/33/39/65/572333965.db2.gz BDGYULUPISPYPH-UHFFFAOYSA-N 1 1 285.412 3.435 20 30 CGEDMO C[C@H]1CC(N=Nc2ccc(Cl)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000741461857 572411100 /nfs/dbraw/zinc/41/11/00/572411100.db2.gz RQMIDOXDGRCONL-VIFPVBQESA-N 1 1 296.758 3.130 20 30 CGEDMO C=CCCCCC[N@H+](C)CN1C[C@H](C(C)C)CC1=O ZINC000739884641 572425835 /nfs/dbraw/zinc/42/58/35/572425835.db2.gz KEJLRSQTPMSNPT-OAHLLOKOSA-N 1 1 266.429 3.127 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000740874772 572463625 /nfs/dbraw/zinc/46/36/25/572463625.db2.gz HYRQKKMYFDYPOB-INIZCTEOSA-N 1 1 280.456 3.195 20 30 CGEDMO C=CCCOC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000741352107 572494827 /nfs/dbraw/zinc/49/48/27/572494827.db2.gz LVNZYIQUCRHBCF-MRXNPFEDSA-N 1 1 273.376 3.160 20 30 CGEDMO C=CCCOC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000741352107 572494830 /nfs/dbraw/zinc/49/48/30/572494830.db2.gz LVNZYIQUCRHBCF-MRXNPFEDSA-N 1 1 273.376 3.160 20 30 CGEDMO CC1(C)[C@@H]2C[N@H+](Cc3cc(Cl)ccc3OCC#N)C[C@@H]21 ZINC000741805323 572531754 /nfs/dbraw/zinc/53/17/54/572531754.db2.gz MDCPDSVXIKMTTA-OKILXGFUSA-N 1 1 290.794 3.330 20 30 CGEDMO C=CCCC[N@H+](C)CN1C(=O)C[C@H]1c1ccc(Cl)cc1 ZINC000743363750 572654081 /nfs/dbraw/zinc/65/40/81/572654081.db2.gz HPPVPIMZRIOWBX-HNNXBMFYSA-N 1 1 292.810 3.469 20 30 CGEDMO C#CC[N@@H+](C[C@@H]1COc2ccccc2O1)C1CCCCC1 ZINC000744739361 572770832 /nfs/dbraw/zinc/77/08/32/572770832.db2.gz XMMWRKBEHZMWNL-MRXNPFEDSA-N 1 1 285.387 3.094 20 30 CGEDMO CCCCCCCCC(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000744799046 572776369 /nfs/dbraw/zinc/77/63/69/572776369.db2.gz STLDXZVPTAUELM-HNNXBMFYSA-N 1 1 268.445 3.195 20 30 CGEDMO C#C[C@H](CC)[NH2+]Cc1cc(F)ccc1Br ZINC000229515379 623139209 /nfs/dbraw/zinc/13/92/09/623139209.db2.gz GMCBBYDFIGUQSV-LLVKDONJSA-N 1 1 270.145 3.090 20 30 CGEDMO C=C(C)CC[NH+]1CC(N(CC)C(=O)c2ccc(C)s2)C1 ZINC000949575682 613246364 /nfs/dbraw/zinc/24/63/64/613246364.db2.gz ACXOKWGULJZMBZ-UHFFFAOYSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC2(CN(C(=O)C3CCCC3)C2)C1 ZINC000981574711 613250903 /nfs/dbraw/zinc/25/09/03/613250903.db2.gz HGQNQZYHGILPQC-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)CCC2CCC2)CC1 ZINC000980928592 613251827 /nfs/dbraw/zinc/25/18/27/613251827.db2.gz QLKOQCASFIDLIH-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)C2=CCCC2)CC1 ZINC000948295477 613256300 /nfs/dbraw/zinc/25/63/00/613256300.db2.gz VSROWUNPIFWXAG-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2=CCCC2)C[C@H]1C ZINC000947191604 613265323 /nfs/dbraw/zinc/26/53/23/613265323.db2.gz VGIMRFRDSADUMM-GDBMZVCRSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C(C)=C2CCC2)C1 ZINC000966003806 613269241 /nfs/dbraw/zinc/26/92/41/613269241.db2.gz LREAHBXJEPAGQE-WMLDXEAASA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ccoc2)C(C)(C)C1 ZINC000940574173 613272565 /nfs/dbraw/zinc/27/25/65/613272565.db2.gz OZANCDWHHAAVIS-HNNXBMFYSA-N 1 1 290.407 3.076 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(Cl)s2)C1 ZINC000980316143 613286531 /nfs/dbraw/zinc/28/65/31/613286531.db2.gz GYTXJQYWUZVUFF-LLVKDONJSA-N 1 1 298.839 3.124 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H](C)CC2CCCC2)CC1 ZINC000982072502 613308886 /nfs/dbraw/zinc/30/88/86/613308886.db2.gz YWLQCWWGLVXLKJ-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC(C)C)C1 ZINC000963244095 613314519 /nfs/dbraw/zinc/31/45/19/613314519.db2.gz LJTUXTANWYBQJA-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)CC2CCCC2)CC1 ZINC000948152234 613314523 /nfs/dbraw/zinc/31/45/23/613314523.db2.gz NPUYVYGCLSVMBX-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2(C)CC2)C1 ZINC000963309752 613315574 /nfs/dbraw/zinc/31/55/74/613315574.db2.gz NSVZCWSVDLPBFF-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)c2cccc(C3CCC3)c2)CC1 ZINC000957325576 613320899 /nfs/dbraw/zinc/32/08/99/613320899.db2.gz QCDCACGBMFSIFN-UHFFFAOYSA-N 1 1 298.430 3.288 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)c2ccccc2C2CCC2)CC1 ZINC000957495442 613321539 /nfs/dbraw/zinc/32/15/39/613321539.db2.gz ZDPFSYAPSXLYKD-UHFFFAOYSA-N 1 1 298.430 3.288 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2(F)CCCC2)C(C)(C)C1 ZINC000940850870 613326803 /nfs/dbraw/zinc/32/68/03/613326803.db2.gz OXKSTHSYXGSRBT-CQSZACIVSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@]2(C)C=CCC2)C(C)(C)C1 ZINC000940958816 613328506 /nfs/dbraw/zinc/32/85/06/613328506.db2.gz JXAWRDLINDCLCH-QAPCUYQASA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000961261504 613332201 /nfs/dbraw/zinc/33/22/01/613332201.db2.gz ARFQUUMNRNXYFO-JKSUJKDBSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2csc(C)c2)C1 ZINC000968423323 613333508 /nfs/dbraw/zinc/33/35/08/613333508.db2.gz RACBMWXWIBSBBF-WFASDCNBSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc(C)s2)[C@H](C)C1 ZINC000941753358 613336063 /nfs/dbraw/zinc/33/60/63/613336063.db2.gz XYKRULVSLPIBNM-OCCSQVGLSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2csc(C)c2)C[C@H]1C ZINC000947809975 613337012 /nfs/dbraw/zinc/33/70/12/613337012.db2.gz HWTDUJCIKGHGFF-DOMZBBRYSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)C(CC)CC)C[C@@]2(C)C1 ZINC000982207097 613340445 /nfs/dbraw/zinc/34/04/45/613340445.db2.gz IEVJXDHXDBDLGW-HDICACEKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)C2=CCCCCC2)C1 ZINC000971404305 613368173 /nfs/dbraw/zinc/36/81/73/613368173.db2.gz SXBKQGMXRQCXJC-OAHLLOKOSA-N 1 1 296.842 3.162 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)C2=CCCCCC2)C1 ZINC000971404305 613368174 /nfs/dbraw/zinc/36/81/74/613368174.db2.gz SXBKQGMXRQCXJC-OAHLLOKOSA-N 1 1 296.842 3.162 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC1(C)C ZINC000968808955 613373185 /nfs/dbraw/zinc/37/31/85/613373185.db2.gz BNPGRPHETMDTNK-UONOGXRCSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC1(C)C ZINC000968808955 613373186 /nfs/dbraw/zinc/37/31/86/613373186.db2.gz BNPGRPHETMDTNK-UONOGXRCSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H](C)C2CC2)CC1 ZINC000948274915 613374156 /nfs/dbraw/zinc/37/41/56/613374156.db2.gz ZYXOUBGOSFEGJB-UKRRQHHQSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC2(C)C)CC1 ZINC000948294910 613374469 /nfs/dbraw/zinc/37/44/69/613374469.db2.gz JBGNEZGGURKSGL-UONOGXRCSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](N(C)C(=O)C2CC=CC2)CC1 ZINC000948263033 613374477 /nfs/dbraw/zinc/37/44/77/613374477.db2.gz XKECYEVYXRAWLM-HNNXBMFYSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC2CCC2)C(C)(C)C1 ZINC000940634304 613376292 /nfs/dbraw/zinc/37/62/92/613376292.db2.gz JDFYDIBRFYOLJU-CQSZACIVSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC2CCC2)C(C)(C)C1 ZINC000940634304 613376293 /nfs/dbraw/zinc/37/62/93/613376293.db2.gz JDFYDIBRFYOLJU-CQSZACIVSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)(C)C)C(C)(C)C1 ZINC000941177896 613378195 /nfs/dbraw/zinc/37/81/95/613378195.db2.gz QOYYMMDLXXUALK-LBPRGKRZSA-N 1 1 286.847 3.002 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C)C(C)(C)C1 ZINC000941177896 613378196 /nfs/dbraw/zinc/37/81/96/613378196.db2.gz QOYYMMDLXXUALK-LBPRGKRZSA-N 1 1 286.847 3.002 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(C)=C2CCC2)[C@@H](C)C1 ZINC000942041371 613378222 /nfs/dbraw/zinc/37/82/22/613378222.db2.gz LUHACLAPNUSXTL-NHYWBVRUSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C(C)=C2CCC2)[C@@H](C)C1 ZINC000942041371 613378223 /nfs/dbraw/zinc/37/82/23/613378223.db2.gz LUHACLAPNUSXTL-NHYWBVRUSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cccs2)C[C@H]1C ZINC000947017996 613378915 /nfs/dbraw/zinc/37/89/15/613378915.db2.gz RHAOKCRVEKORCL-NEPJUHHUSA-N 1 1 298.839 3.083 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cccs2)C[C@H]1C ZINC000947017996 613378916 /nfs/dbraw/zinc/37/89/16/613378916.db2.gz RHAOKCRVEKORCL-NEPJUHHUSA-N 1 1 298.839 3.083 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CC=C(C)C)CC2(C)C)C1 ZINC000975032467 613398986 /nfs/dbraw/zinc/39/89/86/613398986.db2.gz YBOPWKNYBRJNEH-OAHLLOKOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C1CCC(C(=O)N(CC)C2C[NH+](CC[C@@H](C)F)C2)CC1 ZINC000951619396 613403640 /nfs/dbraw/zinc/40/36/40/613403640.db2.gz HTVPEFAXONNVKF-CQSZACIVSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[C@H]2C[N@H+](C)C(C)C)CC1 ZINC000960830604 613404826 /nfs/dbraw/zinc/40/48/26/613404826.db2.gz IUSGZJRBKJAMOZ-INIZCTEOSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](CCC)[C@@H](C)C2)CC1 ZINC000947686273 613410042 /nfs/dbraw/zinc/41/00/42/613410042.db2.gz WDMPWYDEKWZYKK-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)C1CC2(CC2)C1 ZINC000969024811 613491196 /nfs/dbraw/zinc/49/11/96/613491196.db2.gz HMOSYEQAKWRWKG-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1occc1C ZINC000968750217 613491817 /nfs/dbraw/zinc/49/18/17/613491817.db2.gz IKYRPPCDOVXITL-HNNXBMFYSA-N 1 1 290.407 3.139 20 30 CGEDMO C=CCC[N@H+]1CCCN(C(=O)C2CCCCCC2)CC1 ZINC000980802004 613492485 /nfs/dbraw/zinc/49/24/85/613492485.db2.gz LKKUBKZUFTWFDI-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)[C@@H](C)CC2CCCC2)CC1 ZINC000982072294 613494098 /nfs/dbraw/zinc/49/40/98/613494098.db2.gz RZWQCXSKZWQDKK-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[C@H]2CCC)CC1 ZINC000981503799 613494359 /nfs/dbraw/zinc/49/43/59/613494359.db2.gz QTFGPBQJDCDPOV-IAGOWNOFSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCC1 ZINC000960829894 613502445 /nfs/dbraw/zinc/50/24/45/613502445.db2.gz YIEWDYDSIXRSST-FUHWJXTLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)CC2CC(C)(C)C2)[C@@H](C)C1 ZINC000942577768 613519989 /nfs/dbraw/zinc/51/99/89/613519989.db2.gz OXLJTFZMQQOYCP-GOEBONIOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)cc2)C[C@H]1C ZINC000947971524 613524016 /nfs/dbraw/zinc/52/40/16/613524016.db2.gz OHXXTAVQIKBUNW-NVXWUHKLSA-N 1 1 286.419 3.154 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C2(C)CCCCC2)C1 ZINC000968190702 613528847 /nfs/dbraw/zinc/52/88/47/613528847.db2.gz LNOUEGONGQCOAO-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2CCC(=C)CC2)C1 ZINC000968216105 613530732 /nfs/dbraw/zinc/53/07/32/613530732.db2.gz ZSVDLNVIMYRYOR-DOTOQJQBSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C23CCC(CC2)C3)C[C@@H]1C ZINC000947449982 613534315 /nfs/dbraw/zinc/53/43/15/613534315.db2.gz MDIWBMKJCALJER-VUGNNNGISA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@H+]1C[C@H](NC(=O)C2CCC=CCC2)C(C)(C)C1 ZINC000977618658 613553998 /nfs/dbraw/zinc/55/39/98/613553998.db2.gz JQEOOOPWPGVXLU-INIZCTEOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2cccc(C)c2)C(C)(C)C1 ZINC000972765799 613555642 /nfs/dbraw/zinc/55/56/42/613555642.db2.gz PWICXCHQUKLKHK-INIZCTEOSA-N 1 1 286.419 3.011 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)c2scc(C)c2Cl)C1 ZINC000971595760 613625372 /nfs/dbraw/zinc/62/53/72/613625372.db2.gz DDSOEZNBWJLHIR-LLVKDONJSA-N 1 1 298.839 3.042 20 30 CGEDMO C=CC[N@H+]1CCCC2(CN(C(=O)CC3CCCCC3)C2)C1 ZINC000981607719 613677511 /nfs/dbraw/zinc/67/75/11/613677511.db2.gz DRJAGNGRTJIDEB-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@H+]1CCCN(C(=O)c2ccc(C3CCC3)cc2)CC1 ZINC000981283241 613697130 /nfs/dbraw/zinc/69/71/30/613697130.db2.gz RSPXBUDEOGMQEK-UHFFFAOYSA-N 1 1 298.430 3.288 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)C2CCCCC2)CC1 ZINC000948145226 613704129 /nfs/dbraw/zinc/70/41/29/613704129.db2.gz CGQLOJPWJJOJKZ-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)c2cc(C)cs2)CC1 ZINC000948357295 613705158 /nfs/dbraw/zinc/70/51/58/613705158.db2.gz KVVYVCYLRONTMQ-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CC(C)(C)C)C1 ZINC000963251530 613706531 /nfs/dbraw/zinc/70/65/31/613706531.db2.gz QCQWNOOFEBFTOI-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2CCCCCCC2)C1 ZINC000967310071 613733134 /nfs/dbraw/zinc/73/31/34/613733134.db2.gz GQIQJOWACHXNRX-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccoc2C(C)C)C1 ZINC000968684478 613734898 /nfs/dbraw/zinc/73/48/98/613734898.db2.gz DATIMUXGVGKUSB-UKRRQHHQSA-N 1 1 290.407 3.029 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)C=C2CCCCC2)C(C)(C)C1 ZINC000940615497 613741964 /nfs/dbraw/zinc/74/19/64/613741964.db2.gz OKZHLOPCTSVQKS-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C(CC)CC)C2)C1 ZINC000961143589 613765789 /nfs/dbraw/zinc/76/57/89/613765789.db2.gz ONWSUHFGCCGQSR-IAGOWNOFSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC000968695610 613766242 /nfs/dbraw/zinc/76/62/42/613766242.db2.gz SDYUFQDMQOTVBK-KBPBESRZSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc3occc3c2)C1 ZINC000966300052 613773840 /nfs/dbraw/zinc/77/38/40/613773840.db2.gz QVWCFADLWBVYFX-XJKSGUPXSA-N 1 1 298.386 3.059 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)CC2=CCCCC2)C[C@@H]1C ZINC000947144737 613780595 /nfs/dbraw/zinc/78/05/95/613780595.db2.gz UTXQTUCKLBEPDO-HOCLYGCPSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)[C@]2(C)CC=CCC2)C(C)(C)C1 ZINC000940763074 613785066 /nfs/dbraw/zinc/78/50/66/613785066.db2.gz CDHOZMDZHAGEJK-MAUKXSAKSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC000961109897 613805662 /nfs/dbraw/zinc/80/56/62/613805662.db2.gz IDKBKPFGSYRAGD-ROUUACIJSA-N 1 1 298.430 3.047 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2cc3ccccc3o2)C(C)(C)C1 ZINC000977556353 613810228 /nfs/dbraw/zinc/81/02/28/613810228.db2.gz IYPOZPUDTNVRAL-MRXNPFEDSA-N 1 1 298.386 3.059 20 30 CGEDMO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)C(C)(C)C)C[C@@]2(C)C1 ZINC000982308215 613822743 /nfs/dbraw/zinc/82/27/43/613822743.db2.gz TUWJSQUQBVSKMT-OLMNPRSZSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)C(C)(C)C)C[C@@]2(C)C1 ZINC000982308212 613823331 /nfs/dbraw/zinc/82/33/31/613823331.db2.gz TUWJSQUQBVSKMT-JCGIZDLHSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCCC[N@H+](C)CN1C[C@@](C)(c2ccccc2)CC1=O ZINC000186720170 617615902 /nfs/dbraw/zinc/61/59/02/617615902.db2.gz WGQQCIVKRJCBRN-SFHVURJKSA-N 1 1 286.419 3.032 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(CCc2ccccc2)no1 ZINC000899994308 620742381 /nfs/dbraw/zinc/74/23/81/620742381.db2.gz YEXLJUUREWCABK-AWEZNQCLSA-N 1 1 271.364 3.211 20 30 CGEDMO C[C@H]1SCC[N@@H+](CCCOc2ccc(C#N)cc2)[C@@H]1C ZINC000134773175 617749099 /nfs/dbraw/zinc/74/90/99/617749099.db2.gz HWDPORYLAGPQRY-ZIAGYGMSSA-N 1 1 290.432 3.153 20 30 CGEDMO C[N@H+]1CCCC(C)(C)[C@H]1CNc1nc(Cl)c(C#N)s1 ZINC000804677099 617789293 /nfs/dbraw/zinc/78/92/93/617789293.db2.gz IYHCZWAVMDDLSA-SNVBAGLBSA-N 1 1 298.843 3.200 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccccc2)C1 ZINC001021505100 618015287 /nfs/dbraw/zinc/01/52/87/618015287.db2.gz ILBZTFJPKINNJH-MSOLQXFVSA-N 1 1 298.430 3.189 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccccc2)C1 ZINC001021505164 618015333 /nfs/dbraw/zinc/01/53/33/618015333.db2.gz IOGSWUMIHXBZQL-ZWKOTPCHSA-N 1 1 298.430 3.189 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc(C)c2)C1 ZINC001021510487 618018076 /nfs/dbraw/zinc/01/80/76/618018076.db2.gz ZJSNSFPWDWGFQZ-QZTJIDSGSA-N 1 1 298.430 3.108 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](C3CCOCC3)C2)s1 ZINC000933084524 618142395 /nfs/dbraw/zinc/14/23/95/618142395.db2.gz HBPZPDFERSQENH-CQSZACIVSA-N 1 1 290.432 3.258 20 30 CGEDMO COc1cccc(C[N@H+](C)Cc2csc(C#N)c2)c1 ZINC000891471875 618228781 /nfs/dbraw/zinc/22/87/81/618228781.db2.gz WLCOVQFRHWQBCZ-UHFFFAOYSA-N 1 1 272.373 3.260 20 30 CGEDMO COc1cccc(C[N@@H+](C)Cc2csc(C#N)c2)c1 ZINC000891471875 618228786 /nfs/dbraw/zinc/22/87/86/618228786.db2.gz WLCOVQFRHWQBCZ-UHFFFAOYSA-N 1 1 272.373 3.260 20 30 CGEDMO C#CC[N@@H+](C[C@H]1CCOC1)[C@@H]1CCCc2ccccc21 ZINC000933418202 618228924 /nfs/dbraw/zinc/22/89/24/618228924.db2.gz JVDDQMYNVKAHGC-CRAIPNDOSA-N 1 1 269.388 3.036 20 30 CGEDMO C#CC[N@@H+](Cc1cnc(C)cn1)[C@@H]1CCCc2ccccc21 ZINC000933421610 618229791 /nfs/dbraw/zinc/22/97/91/618229791.db2.gz IVFSUXMLOICCDX-LJQANCHMSA-N 1 1 291.398 3.298 20 30 CGEDMO C#CC[N@H+](Cc1cnc(C)cn1)[C@@H]1CCCc2ccccc21 ZINC000933421610 618229792 /nfs/dbraw/zinc/22/97/92/618229792.db2.gz IVFSUXMLOICCDX-LJQANCHMSA-N 1 1 291.398 3.298 20 30 CGEDMO CCOc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2)o1 ZINC000891604370 618241395 /nfs/dbraw/zinc/24/13/95/618241395.db2.gz HNVCVOOQKFJVBT-UHFFFAOYSA-N 1 1 270.332 3.182 20 30 CGEDMO CCOc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)o1 ZINC000891604370 618241396 /nfs/dbraw/zinc/24/13/96/618241396.db2.gz HNVCVOOQKFJVBT-UHFFFAOYSA-N 1 1 270.332 3.182 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@@H]1CCC2(CCC2)CO1 ZINC000933770458 618321840 /nfs/dbraw/zinc/32/18/40/618321840.db2.gz OEDNQEILHPGCMU-AWEZNQCLSA-N 1 1 290.432 3.401 20 30 CGEDMO C=CC1(CC(=O)N2CC[C@@H](C[N@H+](C)CC)C2)CCCCC1 ZINC000933797041 618331136 /nfs/dbraw/zinc/33/11/36/618331136.db2.gz BZUCIJKLAGUNKQ-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO Cc1cc(C#N)nc(N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000891897357 618371118 /nfs/dbraw/zinc/37/11/18/618371118.db2.gz GBNQAWZGUHJUMA-UXLLHSPISA-N 1 1 298.434 3.103 20 30 CGEDMO C[C@H]1CSCCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000934297186 618579712 /nfs/dbraw/zinc/57/97/12/618579712.db2.gz BIPIWCUBLXKWQP-ZDUSSCGKSA-N 1 1 260.406 3.080 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](Cc2csc(C#N)c2)CCS1 ZINC000892197305 618589340 /nfs/dbraw/zinc/58/93/40/618589340.db2.gz LLAFQMGTFYZKRS-CYBMUJFWSA-N 1 1 266.435 3.193 20 30 CGEDMO C[C@H]1C[N@@H+](CCC(C)(C)C#N)CCN1c1ccccc1 ZINC000934320944 618592865 /nfs/dbraw/zinc/59/28/65/618592865.db2.gz YCDHGLSFDQGWJG-HNNXBMFYSA-N 1 1 271.408 3.137 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1CCC(=O)Nc1ccc(Cl)cc1F ZINC000934469576 618626673 /nfs/dbraw/zinc/62/66/73/618626673.db2.gz FNTQUDNZZHNQPW-GFCCVEGCSA-N 1 1 296.773 3.458 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000934874958 618707296 /nfs/dbraw/zinc/70/72/96/618707296.db2.gz CPWJXWKSHOTXML-BBRMVZONSA-N 1 1 287.407 3.324 20 30 CGEDMO CCCC(N)=[NH+]OCc1csc(CCC(C)C)n1 ZINC000177591354 618830921 /nfs/dbraw/zinc/83/09/21/618830921.db2.gz ILVBKMYGEORNDX-UHFFFAOYSA-N 1 1 269.414 3.321 20 30 CGEDMO CC(C)CCC(N)=[NH+]OCc1noc(C2CCCCC2)n1 ZINC000160732415 618867964 /nfs/dbraw/zinc/86/79/64/618867964.db2.gz FSBGFMSTGQWLMN-UHFFFAOYSA-N 1 1 294.399 3.342 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[C@H]1C ZINC001017864557 618887831 /nfs/dbraw/zinc/88/78/31/618887831.db2.gz KHNGEDGJGWXRRZ-WCXIOVBPSA-N 1 1 290.451 3.064 20 30 CGEDMO C#CCOCC[N@H+](C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000851869303 618928879 /nfs/dbraw/zinc/92/88/79/618928879.db2.gz ZXHMUFXOZQAKAV-ZDUSSCGKSA-N 1 1 280.437 3.218 20 30 CGEDMO C=CC[NH+]1CCC(NCc2ccc(CC(C)C)nc2)CC1 ZINC000892881198 618947956 /nfs/dbraw/zinc/94/79/56/618947956.db2.gz QYROWADUFMLRDQ-UHFFFAOYSA-N 1 1 287.451 3.020 20 30 CGEDMO Cn1ncc(C[NH2+][C@H](CCC#N)c2ccccc2)c1C1CC1 ZINC000893194737 619024850 /nfs/dbraw/zinc/02/48/50/619024850.db2.gz KMLGLUDVCFCRFE-QGZVFWFLSA-N 1 1 294.402 3.432 20 30 CGEDMO C#CC[C@@H]([NH2+]Cc1nccn1C1CC1)c1ccccc1 ZINC000893237724 619038912 /nfs/dbraw/zinc/03/89/12/619038912.db2.gz KSVJPVVHUMBUHR-MRXNPFEDSA-N 1 1 265.360 3.072 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)C[C@@H]1CCOc2ccccc21 ZINC000162442351 619087183 /nfs/dbraw/zinc/08/71/83/619087183.db2.gz PYPPSRBKBMZIFS-HNNXBMFYSA-N 1 1 272.392 3.424 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CCC[N@H+](C[C@H](C)CC)C2)CC1 ZINC001008413885 619093457 /nfs/dbraw/zinc/09/34/57/619093457.db2.gz WPLLZCBWASZQIG-PBHICJAKSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)CC2CCCCCC2)C1 ZINC001008680646 619156153 /nfs/dbraw/zinc/15/61/53/619156153.db2.gz HXFAEBFNLBEQGP-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO CO[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000931474573 619180126 /nfs/dbraw/zinc/18/01/26/619180126.db2.gz NVIRVDALRFWKOU-ABAIWWIYSA-N 1 1 278.783 3.211 20 30 CGEDMO C[N@H+](C[C@@H]1CCCC2(CCC2)O1)[C@H]1CCC[C@H]1C#N ZINC000931476668 619181607 /nfs/dbraw/zinc/18/16/07/619181607.db2.gz QOUWRHNWYDRNHB-KKUMJFAQSA-N 1 1 262.397 3.102 20 30 CGEDMO C[N@@H+](C[C@@H]1CCCC2(CCC2)O1)[C@H]1CCC[C@H]1C#N ZINC000931476668 619181609 /nfs/dbraw/zinc/18/16/09/619181609.db2.gz QOUWRHNWYDRNHB-KKUMJFAQSA-N 1 1 262.397 3.102 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCSC[C@H](C)C2)cc1 ZINC000249004753 619227886 /nfs/dbraw/zinc/22/78/86/619227886.db2.gz IWOWHKHVBIMUQL-ZIAGYGMSSA-N 1 1 290.432 3.162 20 30 CGEDMO N#CC1(CCCC[N@H+]2CC[C@H]([C@H]3CCCO3)C2)CCC1 ZINC000931753559 619248878 /nfs/dbraw/zinc/24/88/78/619248878.db2.gz RLVCNSVFYBHSRI-JKSUJKDBSA-N 1 1 276.424 3.351 20 30 CGEDMO Cc1ccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1C#N ZINC000925842455 619291086 /nfs/dbraw/zinc/29/10/86/619291086.db2.gz XCWYYXVHQSKQTC-GBESFXJTSA-N 1 1 297.446 3.267 20 30 CGEDMO N#CCC[N@@H+](Cc1cccc2c1NCCC2)CC1CC1 ZINC000894004151 619349998 /nfs/dbraw/zinc/34/99/98/619349998.db2.gz YWIHFFPXWRTHPX-UHFFFAOYSA-N 1 1 269.392 3.170 20 30 CGEDMO N#CCC[N@H+](Cc1cccc2c1NCCC2)CC1CC1 ZINC000894004151 619350000 /nfs/dbraw/zinc/35/00/00/619350000.db2.gz YWIHFFPXWRTHPX-UHFFFAOYSA-N 1 1 269.392 3.170 20 30 CGEDMO CC(C)(C)OC(=O)c1ccc(C[NH2+]CC(C)(C)C#N)s1 ZINC000894453927 619541701 /nfs/dbraw/zinc/54/17/01/619541701.db2.gz JFZBNHPURPREDE-UHFFFAOYSA-N 1 1 294.420 3.343 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc(C)cnc2Cl)C1 ZINC000895101867 619729851 /nfs/dbraw/zinc/72/98/51/619729851.db2.gz QPTBUGQCHZDGLH-CYBMUJFWSA-N 1 1 262.784 3.279 20 30 CGEDMO Cn1cc(C[NH2+]CC2(C#N)CCCC2)c(C2CCCC2)n1 ZINC000895143198 619752120 /nfs/dbraw/zinc/75/21/20/619752120.db2.gz XRGNRPLKXNEHLU-UHFFFAOYSA-N 1 1 286.423 3.251 20 30 CGEDMO Cc1coc(C[N@@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC000895413476 619823205 /nfs/dbraw/zinc/82/32/05/619823205.db2.gz FBTRNQVSBWJKHE-UHFFFAOYSA-N 1 1 266.344 3.212 20 30 CGEDMO Cc1coc(C[N@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC000895413476 619823209 /nfs/dbraw/zinc/82/32/09/619823209.db2.gz FBTRNQVSBWJKHE-UHFFFAOYSA-N 1 1 266.344 3.212 20 30 CGEDMO C[C@H]1C[NH+](Cc2csc(C#N)c2)C[C@H](C)C1(F)F ZINC000895550511 619850578 /nfs/dbraw/zinc/85/05/78/619850578.db2.gz OBQWWBKALKBCPA-UWVGGRQHSA-N 1 1 270.348 3.343 20 30 CGEDMO C=C(C)COc1cc(C[N@H+]2CC[C@@H](CF)C2)ccc1OC ZINC000895572402 619851412 /nfs/dbraw/zinc/85/14/12/619851412.db2.gz CWPVTPVETXDOPC-HNNXBMFYSA-N 1 1 293.382 3.442 20 30 CGEDMO C=C(C)C[C@H]([NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)C(=O)OCC ZINC000895593233 619857536 /nfs/dbraw/zinc/85/75/36/619857536.db2.gz YDINOQPCQAGKJF-KKUMJFAQSA-N 1 1 297.439 3.068 20 30 CGEDMO C#CC[N@@H+](Cc1cc2c(ccnc2Cl)o1)C1CSC1 ZINC000895814077 619889863 /nfs/dbraw/zinc/88/98/63/619889863.db2.gz LADVLKMUKGHNFZ-UHFFFAOYSA-N 1 1 292.791 3.032 20 30 CGEDMO C#CC[N@H+](Cc1cc2c(ccnc2Cl)o1)C1CSC1 ZINC000895814077 619889867 /nfs/dbraw/zinc/88/98/67/619889867.db2.gz LADVLKMUKGHNFZ-UHFFFAOYSA-N 1 1 292.791 3.032 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000896227742 619970033 /nfs/dbraw/zinc/97/00/33/619970033.db2.gz NWZIOHDMAWPKOM-MNOVXSKESA-N 1 1 278.293 3.293 20 30 CGEDMO CC(C)(/C=C\Cl)[NH2+]Cc1cccc(F)c1C#N ZINC000896747426 620055762 /nfs/dbraw/zinc/05/57/62/620055762.db2.gz LOZMRWYMBNLHHK-SREVYHEPSA-N 1 1 252.720 3.318 20 30 CGEDMO C=C1CC(C)(c2noc(Cn3cc[nH+]c3C(C)C)n2)C1 ZINC000896927745 620104544 /nfs/dbraw/zinc/10/45/44/620104544.db2.gz OKFDYCMCUVELLN-UHFFFAOYSA-N 1 1 272.352 3.046 20 30 CGEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@H]2CC=CCC2)CC1 ZINC000985259387 620145700 /nfs/dbraw/zinc/14/57/00/620145700.db2.gz SDOAVKJWTKIRBL-AWEZNQCLSA-N 1 1 296.842 3.018 20 30 CGEDMO CC#CC[N@H+](C)Cc1ccccc1OCc1cccnc1 ZINC000897166257 620153813 /nfs/dbraw/zinc/15/38/13/620153813.db2.gz KVGVNYRBZZWQOL-UHFFFAOYSA-N 1 1 280.371 3.116 20 30 CGEDMO CC#CC[N@@H+](C)Cc1ccccc1OCc1cccnc1 ZINC000897166257 620153815 /nfs/dbraw/zinc/15/38/15/620153815.db2.gz KVGVNYRBZZWQOL-UHFFFAOYSA-N 1 1 280.371 3.116 20 30 CGEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)/C=C(/C)C2CC2)CC1 ZINC000985303465 620164658 /nfs/dbraw/zinc/16/46/58/620164658.db2.gz WMHPURYNHHLSCF-BENRWUELSA-N 1 1 296.842 3.018 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000897269761 620175423 /nfs/dbraw/zinc/17/54/23/620175423.db2.gz OXILIQMLPUXOJE-INIZCTEOSA-N 1 1 278.440 3.455 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)c2ccc3occc3c2)CC1 ZINC000985443568 620190380 /nfs/dbraw/zinc/19/03/80/620190380.db2.gz WITCLOGPJJJGBL-UHFFFAOYSA-N 1 1 298.386 3.155 20 30 CGEDMO CC(C)c1cccc(NC(=[NH2+])NCCN2CCCCC2)c1 ZINC000303771775 620194561 /nfs/dbraw/zinc/19/45/61/620194561.db2.gz CXBQWWJPVIVICB-UHFFFAOYSA-N 1 1 288.439 3.023 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)[C@]2(C)CCC[C@@H]2CC)CC1 ZINC000985495730 620200277 /nfs/dbraw/zinc/20/02/77/620200277.db2.gz LYEIQKGARJQIJX-MAUKXSAKSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)C[C@@H]2CC[C@@H](C)C2)CC1 ZINC000985584231 620215708 /nfs/dbraw/zinc/21/57/08/620215708.db2.gz GPHYUAMNVZSHKC-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCOCCSCc1c(C)cc(C)[nH+]c1C ZINC000865283359 620391391 /nfs/dbraw/zinc/39/13/91/620391391.db2.gz MOLVPRPRLZFLSE-UHFFFAOYSA-N 1 1 251.395 3.443 20 30 CGEDMO Cn1cnc2cc(C[N@@H+](C)Cc3cc(C#N)cs3)ccc21 ZINC000897625218 620412826 /nfs/dbraw/zinc/41/28/26/620412826.db2.gz HHAJCAABWJGCRN-UHFFFAOYSA-N 1 1 296.399 3.138 20 30 CGEDMO Cc1cc2c(c(C)c1)[C@H]([NH2+]Cc1nc(C#N)cs1)CC2 ZINC000897628949 620413567 /nfs/dbraw/zinc/41/35/67/620413567.db2.gz DKNQNUSKGVHUIW-CQSZACIVSA-N 1 1 283.400 3.409 20 30 CGEDMO N#Cc1csc(C[NH2+]Cc2ccccc2C2CC2)n1 ZINC000897632528 620414091 /nfs/dbraw/zinc/41/40/91/620414091.db2.gz MVOXRTDVLRYBKN-UHFFFAOYSA-N 1 1 269.373 3.182 20 30 CGEDMO CCOc1ccc(C[NH2+]Cc2nc(C#N)cs2)c(C)c1 ZINC000897630351 620414546 /nfs/dbraw/zinc/41/45/46/620414546.db2.gz WXXLTZHLGPVPNQ-UHFFFAOYSA-N 1 1 287.388 3.012 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1ccc2oc(=O)oc2c1 ZINC000898244126 620496721 /nfs/dbraw/zinc/49/67/21/620496721.db2.gz DOPHJZFMGVESFU-UHFFFAOYSA-N 1 1 261.321 3.174 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001007061125 620516893 /nfs/dbraw/zinc/51/68/93/620516893.db2.gz YCWGOFYGYCUWGK-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CC[N@H+]1CCCN(C(=O)c2c(C)csc2Cl)CC1 ZINC000989564945 620517268 /nfs/dbraw/zinc/51/72/68/620517268.db2.gz VAJZFIJYSODFHV-UHFFFAOYSA-N 1 1 298.839 3.044 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)c2c(C)csc2Cl)CC1 ZINC000989564945 620517270 /nfs/dbraw/zinc/51/72/70/620517270.db2.gz VAJZFIJYSODFHV-UHFFFAOYSA-N 1 1 298.839 3.044 20 30 CGEDMO C=CCC[N@H+]1CCCN(C(=O)c2cc3ccccc3o2)CC1 ZINC000989607181 620519435 /nfs/dbraw/zinc/51/94/35/620519435.db2.gz CMTPVFCGMQASJQ-UHFFFAOYSA-N 1 1 298.386 3.157 20 30 CGEDMO C=CCC[N@H+]1CCCN(C(=O)C23CCC(CC2)CC3)CC1 ZINC000989709843 620521913 /nfs/dbraw/zinc/52/19/13/620521913.db2.gz VOBOBCTVMBKNTA-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)C3CCCCC3)CCC[C@@H]12 ZINC000989919150 620532061 /nfs/dbraw/zinc/53/20/61/620532061.db2.gz LBRDHZDSEJBHHH-SJLPKXTDSA-N 1 1 290.451 3.256 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)CC3CCCCC3)CCC[C@H]12 ZINC000989935008 620533318 /nfs/dbraw/zinc/53/33/18/620533318.db2.gz AAAUQHWKNKNOMM-WMZOPIPTSA-N 1 1 290.451 3.256 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC=CCC3)CCC[C@H]12 ZINC000989945689 620533426 /nfs/dbraw/zinc/53/34/26/620533426.db2.gz PFXBSAURKLXPGF-SOLBZPMBSA-N 1 1 288.435 3.032 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)CC3CCC3)CCC[C@H]12 ZINC000990083890 620535194 /nfs/dbraw/zinc/53/51/94/620535194.db2.gz QXLVZGKSKWEEJO-HOCLYGCPSA-N 1 1 296.842 3.042 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)CC3CCC3)CCC[C@H]12 ZINC000990083890 620535195 /nfs/dbraw/zinc/53/51/95/620535195.db2.gz QXLVZGKSKWEEJO-HOCLYGCPSA-N 1 1 296.842 3.042 20 30 CGEDMO CC[C@H]([NH2+]Cc1ccc(OCC#N)cc1)c1nccs1 ZINC000080262736 620535815 /nfs/dbraw/zinc/53/58/15/620535815.db2.gz KKGXIMPFRGQNSS-AWEZNQCLSA-N 1 1 287.388 3.286 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1cc(Br)ccc1OC ZINC000124498005 620590947 /nfs/dbraw/zinc/59/09/47/620590947.db2.gz PEGMZLCROSIVPS-UHFFFAOYSA-N 1 1 290.588 3.300 20 30 CGEDMO FC1(F)CCC(NN=C2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000901341086 620857784 /nfs/dbraw/zinc/85/77/84/620857784.db2.gz VMCNPSYJCHALBY-AWEZNQCLSA-N 1 1 285.382 3.158 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](N(CC)C(=O)C2CCC2)CC1 ZINC000997898636 625763158 /nfs/dbraw/zinc/76/31/58/625763158.db2.gz IIFFFLHNKKYWAT-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO CCCN1CCC([NH2+][C@@H](CC)c2cccc(C#N)c2)CC1 ZINC000902727974 621414623 /nfs/dbraw/zinc/41/46/23/621414623.db2.gz IFDWVSJYDSCPQW-SFHVURJKSA-N 1 1 285.435 3.473 20 30 CGEDMO CCC[NH+]1CCC(N[C@@H](CC)c2cccc(C#N)c2)CC1 ZINC000902727974 621414626 /nfs/dbraw/zinc/41/46/26/621414626.db2.gz IFDWVSJYDSCPQW-SFHVURJKSA-N 1 1 285.435 3.473 20 30 CGEDMO CC[C@H](NC1CC[NH+](CC2CC2)CC1)c1cccc(C#N)c1 ZINC000902755479 621426754 /nfs/dbraw/zinc/42/67/54/621426754.db2.gz POHBTDATSWJHLG-IBGZPJMESA-N 1 1 297.446 3.473 20 30 CGEDMO CC[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1cccc(C#N)c1 ZINC000902755479 621426761 /nfs/dbraw/zinc/42/67/61/621426761.db2.gz POHBTDATSWJHLG-IBGZPJMESA-N 1 1 297.446 3.473 20 30 CGEDMO C[C@H]([NH2+][C@H]1CSc2ccccc21)c1cc(C#N)ccn1 ZINC000902809255 621442608 /nfs/dbraw/zinc/44/26/08/621442608.db2.gz RAPSVFAKSUUWIT-NHYWBVRUSA-N 1 1 281.384 3.451 20 30 CGEDMO CC[C@@H]([NH2+]Cc1ncccc1F)c1cccc(C#N)c1 ZINC000902886082 621483845 /nfs/dbraw/zinc/48/38/45/621483845.db2.gz JLZDQRIQGDDMNT-OAHLLOKOSA-N 1 1 269.323 3.333 20 30 CGEDMO CCCCn1cc(C[NH2+][C@H](C)c2cc(C#N)ccn2)c(C)n1 ZINC000902895065 621489830 /nfs/dbraw/zinc/48/98/30/621489830.db2.gz SGWGWECVXDDAMQ-CQSZACIVSA-N 1 1 297.406 3.109 20 30 CGEDMO C[C@@H]([NH2+]C1(c2ccccc2)CC1)c1cc(C#N)ccn1 ZINC000902912595 621495698 /nfs/dbraw/zinc/49/56/98/621495698.db2.gz RECUZMLXHGMCPN-CYBMUJFWSA-N 1 1 263.344 3.293 20 30 CGEDMO Cc1c([C@H](C)[NH2+]CC2(C#N)CCC2)cnn1C(C)C ZINC000903032236 621535294 /nfs/dbraw/zinc/53/52/94/621535294.db2.gz GYYUCKNIBNQDIF-LBPRGKRZSA-N 1 1 260.385 3.117 20 30 CGEDMO COC(=O)c1ccc2c(c1)[C@@H]([NH2+]CC1(C#N)CCC1)CCC2 ZINC000903034699 621536182 /nfs/dbraw/zinc/53/61/82/621536182.db2.gz BEKKKIFQNXFPHY-INIZCTEOSA-N 1 1 298.386 3.134 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CCC1)c1ccc(C(F)F)nc1 ZINC000903035895 621537617 /nfs/dbraw/zinc/53/76/17/621537617.db2.gz VWLXJAWSNPCBAG-JTQLQIEISA-N 1 1 265.307 3.364 20 30 CGEDMO CC[C@H](NC[C@H]1CCCC[N@H+](C)C1)c1cccc(C#N)c1 ZINC000903069451 621567764 /nfs/dbraw/zinc/56/77/64/621567764.db2.gz HDLUJGQSJYCCSS-AEFFLSMTSA-N 1 1 285.435 3.331 20 30 CGEDMO CC[C@H](NC[C@H]1CCCC[N@@H+](C)C1)c1cccc(C#N)c1 ZINC000903069451 621567767 /nfs/dbraw/zinc/56/77/67/621567767.db2.gz HDLUJGQSJYCCSS-AEFFLSMTSA-N 1 1 285.435 3.331 20 30 CGEDMO Cc1c([C@H](C)[NH2+]CC(C)(C)C#N)cccc1[N+](=O)[O-] ZINC000903100473 621573378 /nfs/dbraw/zinc/57/33/78/621573378.db2.gz PMCMDHGIRNMEQZ-NSHDSACASA-N 1 1 261.325 3.104 20 30 CGEDMO N#CC1(C[NH2+][C@H]2CCSc3ccc(F)cc32)CC1 ZINC000903102358 621575330 /nfs/dbraw/zinc/57/53/30/621575330.db2.gz WXJRONYDVWXPDA-LBPRGKRZSA-N 1 1 262.353 3.256 20 30 CGEDMO N#CC1(C[NH2+][C@@H]2CCc3ccc(Br)cc32)CC1 ZINC000903106255 621580239 /nfs/dbraw/zinc/58/02/39/621580239.db2.gz NPFWIMDLEUXEGI-CYBMUJFWSA-N 1 1 291.192 3.330 20 30 CGEDMO C[C@H]1C[C@@H](Nc2ccc(CCC#N)cc2)C[N@H+]1C1CC1 ZINC000903297656 621665538 /nfs/dbraw/zinc/66/55/38/621665538.db2.gz ILJMLSSLBILIAJ-XJKSGUPXSA-N 1 1 269.392 3.180 20 30 CGEDMO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](CCN(C)C)c1cccnc1 ZINC000903382757 621723397 /nfs/dbraw/zinc/72/33/97/621723397.db2.gz HRWSWBGGYMREET-ZMSDIMECSA-N 1 1 275.440 3.265 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc([C@@H](C)SCC)no1 ZINC000904629422 621948935 /nfs/dbraw/zinc/94/89/35/621948935.db2.gz VRZSCWQIGKNNBU-ZJUUUORDSA-N 1 1 255.387 3.240 20 30 CGEDMO CC(C)[C@@H]1[N@@H+](C[C@@H](O)CC2(C#N)CCC2)CC12CCCC2 ZINC000905959528 622133582 /nfs/dbraw/zinc/13/35/82/622133582.db2.gz YCKRWUJQYFSTIO-HOTGVXAUSA-N 1 1 290.451 3.332 20 30 CGEDMO Cc1c(C[N@@H+](C)C[C@@H](C)C#N)sc2nc(C)nc(C)c12 ZINC000768877540 625552213 /nfs/dbraw/zinc/55/22/13/625552213.db2.gz MEPCZQOGUNRGJW-VIFPVBQESA-N 1 1 288.420 3.208 20 30 CGEDMO Cc1c(C[N@H+](C)C[C@@H](C)C#N)sc2nc(C)nc(C)c12 ZINC000768877540 625552222 /nfs/dbraw/zinc/55/22/22/625552222.db2.gz MEPCZQOGUNRGJW-VIFPVBQESA-N 1 1 288.420 3.208 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2C[C@@H](C)C[C@@H]2C)cc1 ZINC000769471264 625571071 /nfs/dbraw/zinc/57/10/71/625571071.db2.gz RPKOTJNYOPGUIJ-GJZGRUSLSA-N 1 1 257.377 3.319 20 30 CGEDMO CCOc1ccc(OCC[N@H+](CCC#N)CC(C)C)cc1 ZINC000755669112 625578462 /nfs/dbraw/zinc/57/84/62/625578462.db2.gz HDXZTJDLKJVKCQ-UHFFFAOYSA-N 1 1 290.407 3.336 20 30 CGEDMO CCOc1ccc(OCC[N@@H+](CCC#N)CC(C)C)cc1 ZINC000755669112 625578475 /nfs/dbraw/zinc/57/84/75/625578475.db2.gz HDXZTJDLKJVKCQ-UHFFFAOYSA-N 1 1 290.407 3.336 20 30 CGEDMO C=C(C)C[N@@H+](CC)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000172730086 623272825 /nfs/dbraw/zinc/27/28/25/623272825.db2.gz WAWOGDBTUUEYBN-CQSZACIVSA-N 1 1 282.428 3.141 20 30 CGEDMO CCCCC(N)=[NH+]OCC(=O)Nc1sc(C)c(C)c1C ZINC000174126637 623363140 /nfs/dbraw/zinc/36/31/40/623363140.db2.gz JVNRMXWINLKZDJ-UHFFFAOYSA-N 1 1 297.424 3.091 20 30 CGEDMO CC(C)OCCC[N@@H+](C)CC1CCC(C#N)CC1 ZINC000929697795 623512593 /nfs/dbraw/zinc/51/25/93/623512593.db2.gz WHMLMUIAKSQKKH-UHFFFAOYSA-N 1 1 252.402 3.063 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H](C)C3CCCC3)CCC[C@@H]12 ZINC000992409786 623544595 /nfs/dbraw/zinc/54/45/95/623544595.db2.gz ULGNERYXQVMXAK-YXJHDRRASA-N 1 1 290.451 3.112 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CCc1ccns1 ZINC000929757541 623577917 /nfs/dbraw/zinc/57/79/17/623577917.db2.gz SJCCUKHOAPQQPC-IRXDYDNUSA-N 1 1 297.427 3.457 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCc1ccns1 ZINC000929757541 623577919 /nfs/dbraw/zinc/57/79/19/623577919.db2.gz SJCCUKHOAPQQPC-IRXDYDNUSA-N 1 1 297.427 3.457 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3cccc(C)c3C)CCC[C@H]12 ZINC000992468723 623580114 /nfs/dbraw/zinc/58/01/14/623580114.db2.gz QQMYHERQGAWKLW-HKUYNNGSSA-N 1 1 298.430 3.216 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)o2)[C@H]1C ZINC000993032993 623799928 /nfs/dbraw/zinc/79/99/28/623799928.db2.gz DAONEJKUEMQLSW-VXGBXAGGSA-N 1 1 296.798 3.092 20 30 CGEDMO N#CC[C@@H](O)C[N@H+]1CCC[C@H]1CCC1CCCCC1 ZINC000929854743 623876358 /nfs/dbraw/zinc/87/63/58/623876358.db2.gz OBFAAKZDITUCDN-JKSUJKDBSA-N 1 1 264.413 3.086 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCS[C@H]3COCC[C@H]32)CCC1 ZINC000929856264 623880994 /nfs/dbraw/zinc/88/09/94/623880994.db2.gz VCEPIQQVVHDCJJ-CABCVRRESA-N 1 1 294.464 3.057 20 30 CGEDMO CCCCCCCCN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000915224010 623921667 /nfs/dbraw/zinc/92/16/67/623921667.db2.gz ZDPNXNRHTJYRPV-KRWDZBQOSA-N 1 1 282.472 3.144 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2sccc2F)[C@H]1C ZINC000993263921 623997963 /nfs/dbraw/zinc/99/79/63/623997963.db2.gz LCGQVOHNOQJGQC-YPMHNXCESA-N 1 1 296.411 3.046 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC)o2)[C@H]1C ZINC000993500341 624052323 /nfs/dbraw/zinc/05/23/23/624052323.db2.gz SIQHSPBNUXBVML-HIFRSBDPSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2c(C)cccc2C)[C@@H]1C ZINC000993848674 624065254 /nfs/dbraw/zinc/06/52/54/624065254.db2.gz SFETWGFSOMPFIL-HOTGVXAUSA-N 1 1 286.419 3.072 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCCC(C)(C)C2)C1 ZINC001015994303 625702818 /nfs/dbraw/zinc/70/28/18/625702818.db2.gz FKIIZPWPFDPQPV-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(Cl)c2)[C@@H]1C ZINC000994287317 624203002 /nfs/dbraw/zinc/20/30/02/624203002.db2.gz OOXICQXCAQXTGZ-SWLSCSKDSA-N 1 1 292.810 3.109 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C23CCC(CC2)CC3)[C@H]1C ZINC000994447564 624227382 /nfs/dbraw/zinc/22/73/82/624227382.db2.gz AJSHQFMDJMSNCC-CTMQZQKCSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C2CCC=CCC2)[C@@H]1C ZINC000994457666 624230603 /nfs/dbraw/zinc/23/06/03/624230603.db2.gz YMOBKPBVJJUJEU-RDJZCZTQSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCOc1ccccc1C ZINC000917086191 624238632 /nfs/dbraw/zinc/23/86/32/624238632.db2.gz INSUMPQPPYVBMU-UHFFFAOYSA-N 1 1 253.773 3.448 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCOc1ccccc1C ZINC000917086191 624238637 /nfs/dbraw/zinc/23/86/37/624238637.db2.gz INSUMPQPPYVBMU-UHFFFAOYSA-N 1 1 253.773 3.448 20 30 CGEDMO C#CC[N@@H+](C[C@H]1CCCCO1)[C@@H]1CCc2ccccc21 ZINC000917117235 624242540 /nfs/dbraw/zinc/24/25/40/624242540.db2.gz GDRHPIYRAPJZSK-SJLPKXTDSA-N 1 1 269.388 3.178 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1ccc(F)c(Cl)c1)C(C)C ZINC000917166874 624249175 /nfs/dbraw/zinc/24/91/75/624249175.db2.gz KWMKWXPDRGYSNR-UHFFFAOYSA-N 1 1 284.762 3.314 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1ccc(F)c(Cl)c1)C(C)C ZINC000917166874 624249178 /nfs/dbraw/zinc/24/91/78/624249178.db2.gz KWMKWXPDRGYSNR-UHFFFAOYSA-N 1 1 284.762 3.314 20 30 CGEDMO COc1cccc(C[N@H+](C[C@H](C)C#N)C2CC2)c1C ZINC000930086841 624413427 /nfs/dbraw/zinc/41/34/27/624413427.db2.gz JVKQYQFYXFZSJG-GFCCVEGCSA-N 1 1 258.365 3.128 20 30 CGEDMO COc1cccc(C[N@@H+](C[C@H](C)C#N)C2CC2)c1C ZINC000930086841 624413430 /nfs/dbraw/zinc/41/34/30/624413430.db2.gz JVKQYQFYXFZSJG-GFCCVEGCSA-N 1 1 258.365 3.128 20 30 CGEDMO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1cnn(C2CCC2)c1 ZINC000925475291 624435060 /nfs/dbraw/zinc/43/50/60/624435060.db2.gz LGAXABBMFGADJU-LBPRGKRZSA-N 1 1 298.365 3.470 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)CC1(O)CCCCC1 ZINC000920091590 624445621 /nfs/dbraw/zinc/44/56/21/624445621.db2.gz JNFVBWOLCMAYLC-UHFFFAOYSA-N 1 1 265.422 3.431 20 30 CGEDMO CC(=NN1CC[NH+](C)CC1)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000920357535 624480516 /nfs/dbraw/zinc/48/05/16/624480516.db2.gz XMXQXUIPXYZHPU-GJZGRUSLSA-N 1 1 291.826 3.067 20 30 CGEDMO Cc1ccc2c(c1C)OC[C@@H]2[NH2+]Cc1csc(C#N)c1 ZINC000921695746 625847204 /nfs/dbraw/zinc/84/72/04/625847204.db2.gz WBCSYGIFHDNKCJ-HNNXBMFYSA-N 1 1 284.384 3.460 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)c2sccc2C)CC1 ZINC001002235699 625916835 /nfs/dbraw/zinc/91/68/35/625916835.db2.gz ONWTWBKFDFHDQU-UHFFFAOYSA-N 1 1 298.839 3.003 20 30 CGEDMO N#Cc1cc(C[NH2+][C@@H]2C[C@]2(F)c2ccccc2)cs1 ZINC000922197688 625982890 /nfs/dbraw/zinc/98/28/90/625982890.db2.gz JVWPNKCPQDIVOM-CABCVRRESA-N 1 1 272.348 3.347 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@]2(C)CCC[C@H]2C)CC1 ZINC001003576132 625983825 /nfs/dbraw/zinc/98/38/25/625983825.db2.gz RTKDHHWCPYKEEK-MLGOLLRUSA-N 1 1 298.858 3.146 20 30 CGEDMO N#CC1CCC(CN2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000929289043 625992550 /nfs/dbraw/zinc/99/25/50/625992550.db2.gz UGNAKQCZDQORLV-UHFFFAOYSA-N 1 1 289.467 3.267 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2CC2)CC1 ZINC001004318327 626035956 /nfs/dbraw/zinc/03/59/56/626035956.db2.gz LNEWKJHOSMWPKC-QGZVFWFLSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C(CC)CC)CC1 ZINC001004353599 626042405 /nfs/dbraw/zinc/04/24/05/626042405.db2.gz PGVYFYJHKHQNSX-KRWDZBQOSA-N 1 1 292.467 3.312 20 30 CGEDMO COc1cccc(N=NC2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000839407452 626346001 /nfs/dbraw/zinc/34/60/01/626346001.db2.gz IGZATCIVOHDKDS-UHFFFAOYSA-N 1 1 295.386 3.369 20 30 CGEDMO C[C@H]1CCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000752076139 626417577 /nfs/dbraw/zinc/41/75/77/626417577.db2.gz ONCRTHBXTRKHHX-NSHDSACASA-N 1 1 264.756 3.227 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@H+](CC)CCC)c1O ZINC000754730557 626584931 /nfs/dbraw/zinc/58/49/31/626584931.db2.gz RURSYFQSGOEVHG-UHFFFAOYSA-N 1 1 263.381 3.361 20 30 CGEDMO C=CCCCOC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC000754870055 626591444 /nfs/dbraw/zinc/59/14/44/626591444.db2.gz FJZNCJDDNBZLGL-UHFFFAOYSA-N 1 1 253.386 3.149 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)CCOc1ccccc1F ZINC000755670396 626635210 /nfs/dbraw/zinc/63/52/10/626635210.db2.gz IRTOUHSMOBSSQT-UHFFFAOYSA-N 1 1 264.344 3.076 20 30 CGEDMO CC(C)C[N@H+](CCC#N)CCOc1ccccc1F ZINC000755670396 626635211 /nfs/dbraw/zinc/63/52/11/626635211.db2.gz IRTOUHSMOBSSQT-UHFFFAOYSA-N 1 1 264.344 3.076 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)CC1=NO[C@@H]1CCCCO1 ZINC000755820275 626650618 /nfs/dbraw/zinc/65/06/18/626650618.db2.gz BIUHQBTXODQHOT-RHSMWYFYSA-N 1 1 288.391 3.038 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC1=NO[C@@H]1CCCCO1 ZINC000755820275 626650621 /nfs/dbraw/zinc/65/06/21/626650621.db2.gz BIUHQBTXODQHOT-RHSMWYFYSA-N 1 1 288.391 3.038 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1N(C)C)C1CCCC1 ZINC000756910858 626740701 /nfs/dbraw/zinc/74/07/01/626740701.db2.gz CYXOOUZHDKEZDC-UHFFFAOYSA-N 1 1 256.393 3.130 20 30 CGEDMO C=CC[N@@H+](Cc1cnn(Cc2ccccc2)c1)C(C)C ZINC000757085681 626753614 /nfs/dbraw/zinc/75/36/14/626753614.db2.gz PLFFRAJSDOLOOE-UHFFFAOYSA-N 1 1 269.392 3.328 20 30 CGEDMO C#C[C@H](CC)[NH2+]Cc1csc(-c2ccc(OC)cc2)n1 ZINC000809685671 626767372 /nfs/dbraw/zinc/76/73/72/626767372.db2.gz JUSLEBWBOMVTIV-CYBMUJFWSA-N 1 1 286.400 3.320 20 30 CGEDMO C[C@H]1CC(C)(C)C[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000839661222 626772586 /nfs/dbraw/zinc/77/25/86/626772586.db2.gz UIGSEIBLZWFHLF-ZDUSSCGKSA-N 1 1 258.365 3.209 20 30 CGEDMO C[N@H+]1CCCC(N=Nc2ccc(Cl)cc2)CC1 ZINC000758092199 626826403 /nfs/dbraw/zinc/82/64/03/626826403.db2.gz ZYGONAQSKXYPHI-UHFFFAOYSA-N 1 1 251.761 3.224 20 30 CGEDMO Fc1ccc(CO[NH+]=Cc2ccc(N3CCCC3)nc2)cc1 ZINC000758144302 626831018 /nfs/dbraw/zinc/83/10/18/626831018.db2.gz LGFJQDGIZGABPZ-UHFFFAOYSA-N 1 1 299.349 3.372 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)CC1(OC)CCCC1 ZINC000809717404 626859762 /nfs/dbraw/zinc/85/97/62/626859762.db2.gz HQUQASKIWFUDBZ-UHFFFAOYSA-N 1 1 257.377 3.081 20 30 CGEDMO C#CCC[N@@H+](CCOC)Cc1ccc(Cl)cc1Cl ZINC000760819388 626993981 /nfs/dbraw/zinc/99/39/81/626993981.db2.gz KQTDWGGTEFFTAU-UHFFFAOYSA-N 1 1 286.202 3.465 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1ccc(Cl)cc1Cl ZINC000760819388 626993984 /nfs/dbraw/zinc/99/39/84/626993984.db2.gz KQTDWGGTEFFTAU-UHFFFAOYSA-N 1 1 286.202 3.465 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000760932527 627003485 /nfs/dbraw/zinc/00/34/85/627003485.db2.gz FBVLLZXZODBRSR-SFHVURJKSA-N 1 1 288.435 3.044 20 30 CGEDMO FC(F)(F)c1ccc(C=NNc2cc[nH+]cc2)s1 ZINC000761833379 627064395 /nfs/dbraw/zinc/06/43/95/627064395.db2.gz BHOHBJRYOKRTMT-UHFFFAOYSA-N 1 1 271.267 3.030 20 30 CGEDMO C=CCc1cc(C[N@H+]2CC[C@@H](C3CC3)C2)c(O)c(OC)c1 ZINC000763331867 627152240 /nfs/dbraw/zinc/15/22/40/627152240.db2.gz JTAKQCBGKJMKMN-OAHLLOKOSA-N 1 1 287.403 3.361 20 30 CGEDMO Cc1ccc(C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C2CC2)o1 ZINC000763396010 627155988 /nfs/dbraw/zinc/15/59/88/627155988.db2.gz NVOUVUCHVNFANM-SFHVURJKSA-N 1 1 296.370 3.158 20 30 CGEDMO N#Cc1cc(Nc2ccc([NH+]3CCCCCC3)cc2)ncn1 ZINC000764816966 627226310 /nfs/dbraw/zinc/22/63/10/627226310.db2.gz NDDDPZSMJAUCCZ-UHFFFAOYSA-N 1 1 293.374 3.472 20 30 CGEDMO C#CCOc1ccc([C@H](C)NCC[N@@H+](C)[C@@H](C)CC)cc1 ZINC000765654559 627265090 /nfs/dbraw/zinc/26/50/90/627265090.db2.gz KILZCQHPVDFSFU-HOTGVXAUSA-N 1 1 288.435 3.080 20 30 CGEDMO C#CCOc1ccc([C@H](C)NCC[N@H+](C)[C@@H](C)CC)cc1 ZINC000765654559 627265095 /nfs/dbraw/zinc/26/50/95/627265095.db2.gz KILZCQHPVDFSFU-HOTGVXAUSA-N 1 1 288.435 3.080 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1cc(C)cc(C(C)(C)C)c1O ZINC000766666312 627351757 /nfs/dbraw/zinc/35/17/57/627351757.db2.gz QFVOERSTBPUBEA-ZDUSSCGKSA-N 1 1 259.393 3.452 20 30 CGEDMO C#CCCC[N@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000766901040 627368200 /nfs/dbraw/zinc/36/82/00/627368200.db2.gz JEOPUPVIOPJKEC-VYDXJSESSA-N 1 1 257.377 3.250 20 30 CGEDMO C#CCCC[N@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000766905875 627369262 /nfs/dbraw/zinc/36/92/62/627369262.db2.gz MMIFSWWNDSLBTI-GOSISDBHSA-N 1 1 271.404 3.162 20 30 CGEDMO C#CCCC[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000766903351 627369557 /nfs/dbraw/zinc/36/95/57/627369557.db2.gz CWDWKEDJNIVFBY-SFHVURJKSA-N 1 1 271.404 3.124 20 30 CGEDMO C[C@H]1CC(N=Nc2ccccn2)C[N@@H+](Cc2ccccc2)C1 ZINC000767365668 627402140 /nfs/dbraw/zinc/40/21/40/627402140.db2.gz AOBNQLLAQICYDC-HNNXBMFYSA-N 1 1 294.402 3.392 20 30 CGEDMO CCOc1cc(C[N@H+](CCC#N)CC(C)C)ccc1OC ZINC000768155311 627464441 /nfs/dbraw/zinc/46/44/41/627464441.db2.gz YLRRNFCRXIDAMQ-UHFFFAOYSA-N 1 1 290.407 3.466 20 30 CGEDMO CCOc1cc(C[N@@H+](CCC#N)CC(C)C)ccc1OC ZINC000768155311 627464442 /nfs/dbraw/zinc/46/44/42/627464442.db2.gz YLRRNFCRXIDAMQ-UHFFFAOYSA-N 1 1 290.407 3.466 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000768877672 627505390 /nfs/dbraw/zinc/50/53/90/627505390.db2.gz JDHHGXVQBACDBS-MRXNPFEDSA-N 1 1 296.370 3.332 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000768877672 627505391 /nfs/dbraw/zinc/50/53/91/627505391.db2.gz JDHHGXVQBACDBS-MRXNPFEDSA-N 1 1 296.370 3.332 20 30 CGEDMO C#CC[N@H+](CC)Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000769110313 627523295 /nfs/dbraw/zinc/52/32/95/627523295.db2.gz CBCYNOWIIFGMGR-UHFFFAOYSA-N 1 1 293.370 3.288 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+](C)CCOC(C)(C)C)cc1 ZINC000769515169 627561757 /nfs/dbraw/zinc/56/17/57/627561757.db2.gz KKWPMDPBFOQHGW-UHFFFAOYSA-N 1 1 289.419 3.336 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)CCCOc1ccc(Cl)cc1 ZINC000769975969 627593697 /nfs/dbraw/zinc/59/36/97/627593697.db2.gz QQKGNYCNPOEMRH-GFCCVEGCSA-N 1 1 251.757 3.062 20 30 CGEDMO C=C(Br)C[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000125144222 634600372 /nfs/dbraw/zinc/60/03/72/634600372.db2.gz VYYFEKRLHYNALF-SNVBAGLBSA-N 1 1 272.190 3.023 20 30 CGEDMO Cn1c[nH+]c2cc(NCc3ccc(C#N)cc3F)ccc21 ZINC000772937440 627833804 /nfs/dbraw/zinc/83/38/04/627833804.db2.gz XOOFYCFTJJCJMN-UHFFFAOYSA-N 1 1 280.306 3.196 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000773425696 627882484 /nfs/dbraw/zinc/88/24/84/627882484.db2.gz BCEGVHNBQRCEQW-CQSZACIVSA-N 1 1 282.428 3.141 20 30 CGEDMO COc1cc(C[N@H+](CCC#N)CC(C)C)ccc1C ZINC000774821033 628035336 /nfs/dbraw/zinc/03/53/36/628035336.db2.gz SZOQLWQHDVMQNE-UHFFFAOYSA-N 1 1 260.381 3.375 20 30 CGEDMO COc1cc(C[N@@H+](CCC#N)CC(C)C)ccc1C ZINC000774821033 628035341 /nfs/dbraw/zinc/03/53/41/628035341.db2.gz SZOQLWQHDVMQNE-UHFFFAOYSA-N 1 1 260.381 3.375 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(OC)cc1 ZINC000775620384 628114307 /nfs/dbraw/zinc/11/43/07/628114307.db2.gz OJAQWKHWWQDMPT-MRXNPFEDSA-N 1 1 288.391 3.064 20 30 CGEDMO Cc1[nH+]ccn1CC(=O)/C=C1\N(C)c2ccccc2C1(C)C ZINC000776858422 628236629 /nfs/dbraw/zinc/23/66/29/628236629.db2.gz BWLAFVGODJORTP-BOPFTXTBSA-N 1 1 295.386 3.072 20 30 CGEDMO CC(C)[C@@H](Cc1ccccc1)NN=C1CC[N@H+]2CCC[C@@H]12 ZINC000777449757 628271849 /nfs/dbraw/zinc/27/18/49/628271849.db2.gz YUZXKXSNNJWKQY-MSOLQXFVSA-N 1 1 285.435 3.067 20 30 CGEDMO C[C@@H]1CC[N@@H+](CCCOc2ccc(C#N)cc2)C[C@H]1F ZINC000778232243 628336175 /nfs/dbraw/zinc/33/61/75/628336175.db2.gz FHYRJGIDSUGOGC-CZUORRHYSA-N 1 1 276.355 3.007 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@@H+](CC)C1CC1 ZINC000779153631 628390947 /nfs/dbraw/zinc/39/09/47/628390947.db2.gz JGPIHHUBCLLNAC-UHFFFAOYSA-N 1 1 263.768 3.336 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@H+](CC)C1CC1 ZINC000779153631 628390951 /nfs/dbraw/zinc/39/09/51/628390951.db2.gz JGPIHHUBCLLNAC-UHFFFAOYSA-N 1 1 263.768 3.336 20 30 CGEDMO CC(N=Nc1ccccn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779760055 628427120 /nfs/dbraw/zinc/42/71/20/628427120.db2.gz RMSVJJAZYBLZET-KRWDZBQOSA-N 1 1 294.402 3.392 20 30 CGEDMO CCCCOc1cc(C=NNc2cc[nH+]cc2)ccc1OC ZINC000779807487 628433114 /nfs/dbraw/zinc/43/31/14/628433114.db2.gz ZBMNPTCQEZPNOA-UHFFFAOYSA-N 1 1 299.374 3.137 20 30 CGEDMO CCOc1cccc2cc(C(C)=NNc3cc[nH+]cc3)oc21 ZINC000779810152 628433911 /nfs/dbraw/zinc/43/39/11/628433911.db2.gz WZUKIKSBOKDQLX-UHFFFAOYSA-N 1 1 295.342 3.485 20 30 CGEDMO CC(=NNc1cc[nH+]cc1)c1cccc(-c2ccncc2)c1 ZINC000779811849 628434604 /nfs/dbraw/zinc/43/46/04/628434604.db2.gz LGVMQNGYOZVVAM-UHFFFAOYSA-N 1 1 288.354 3.402 20 30 CGEDMO C#CCCCCCC(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000780389445 628485855 /nfs/dbraw/zinc/48/58/55/628485855.db2.gz NGVZFZVNWHUSOD-UHFFFAOYSA-N 1 1 292.467 3.293 20 30 CGEDMO C#CC[N@H+](C[C@@H]1CCO[C@@H](CC)C1)C1CCCCC1 ZINC000780758904 628514973 /nfs/dbraw/zinc/51/49/73/628514973.db2.gz ZLBCFVYBHKOOTD-WBVHZDCISA-N 1 1 263.425 3.460 20 30 CGEDMO CCON=C1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000781123731 628538109 /nfs/dbraw/zinc/53/81/09/628538109.db2.gz HFDPUWZZEDTXQV-HOTGVXAUSA-N 1 1 272.392 3.311 20 30 CGEDMO C=CC[N@H+](Cc1cc(C(=O)OC)ccc1F)C(C)C ZINC000781326734 628555337 /nfs/dbraw/zinc/55/53/37/628555337.db2.gz LMBFKIKBHGDRSO-UHFFFAOYSA-N 1 1 265.328 3.009 20 30 CGEDMO C#CCCC[N@@H+]1CCCC[C@H]1CCNC(=O)OC(C)(C)C ZINC000805763989 628824293 /nfs/dbraw/zinc/82/42/93/628824293.db2.gz SEQRZDDARUSYTK-HNNXBMFYSA-N 1 1 294.439 3.169 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000785997236 628906670 /nfs/dbraw/zinc/90/66/70/628906670.db2.gz KGDBBBFURWXVKO-AWEZNQCLSA-N 1 1 277.339 3.274 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000785997236 628906679 /nfs/dbraw/zinc/90/66/79/628906679.db2.gz KGDBBBFURWXVKO-AWEZNQCLSA-N 1 1 277.339 3.274 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1csc(Br)c1 ZINC000787997146 629038531 /nfs/dbraw/zinc/03/85/31/629038531.db2.gz GRPFFRNYKPWOPJ-UHFFFAOYSA-N 1 1 272.211 3.354 20 30 CGEDMO Brc1cnn([NH+]=C2CCC23CCCC3)c1 ZINC000788721364 629075777 /nfs/dbraw/zinc/07/57/77/629075777.db2.gz FEQSTYLRPRNLRK-UHFFFAOYSA-N 1 1 268.158 3.204 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)CCc1cccc(Cl)c1Cl ZINC000789309554 629122904 /nfs/dbraw/zinc/12/29/04/629122904.db2.gz UNCIGELIGCXZAL-JTQLQIEISA-N 1 1 256.176 3.489 20 30 CGEDMO C#C[C@@H](C)OC(=O)c1ccc(C[N@H+](CC)CCC)cc1 ZINC000805886524 629124848 /nfs/dbraw/zinc/12/48/48/629124848.db2.gz BQJSEKBDQMIMCH-CQSZACIVSA-N 1 1 273.376 3.097 20 30 CGEDMO C#C[C@H](C)OC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000805887194 629125477 /nfs/dbraw/zinc/12/54/77/629125477.db2.gz UFZNBYKNBKQBQZ-AWEZNQCLSA-N 1 1 273.376 3.095 20 30 CGEDMO CC[C@@H](C)NN=C1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000790181309 629189177 /nfs/dbraw/zinc/18/91/77/629189177.db2.gz COSYTTVKPFNCDL-HUUCEWRRSA-N 1 1 273.424 3.273 20 30 CGEDMO CC[C@@H](C)NN=C1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000790181309 629189180 /nfs/dbraw/zinc/18/91/80/629189180.db2.gz COSYTTVKPFNCDL-HUUCEWRRSA-N 1 1 273.424 3.273 20 30 CGEDMO CC(=[NH+]N1CCC(C(C)(C)C)CC1)c1csc(N)n1 ZINC000790179354 629189217 /nfs/dbraw/zinc/18/92/17/629189217.db2.gz WZURPKAPCQBVHI-UHFFFAOYSA-N 1 1 280.441 3.207 20 30 CGEDMO CC[C@H](C)NN=C1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000790181965 629190015 /nfs/dbraw/zinc/19/00/15/629190015.db2.gz BALOQUFHYOOBEZ-CABCVRRESA-N 1 1 273.424 3.273 20 30 CGEDMO C[N@H+]1CCCC(C)(C)[C@H]1CNc1snc(Cl)c1C#N ZINC000790286001 629199865 /nfs/dbraw/zinc/19/98/65/629199865.db2.gz WDLKNNSEZFWMJJ-SNVBAGLBSA-N 1 1 298.843 3.200 20 30 CGEDMO C=CCC1(C(=O)OCC[C@@H]2CCCC[N@@H+]2C)CCC1 ZINC000791559550 629288060 /nfs/dbraw/zinc/28/80/60/629288060.db2.gz XVSWZPXWNJHBLN-AWEZNQCLSA-N 1 1 265.397 3.150 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@H]1C(=O)OCc1ccccc1 ZINC000791648214 629294627 /nfs/dbraw/zinc/29/46/27/629294627.db2.gz RLPBVZSTZOCYGW-INIZCTEOSA-N 1 1 273.376 3.160 20 30 CGEDMO CCCCCCCNC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000875764154 634730151 /nfs/dbraw/zinc/73/01/51/634730151.db2.gz BNFKBQFJWPIOJE-QGZVFWFLSA-N 1 1 295.471 3.084 20 30 CGEDMO C#CC[N@@H+](C)CC/C=C/c1ccc(Br)cc1 ZINC000792305682 629355300 /nfs/dbraw/zinc/35/53/00/629355300.db2.gz MYXDWYQGBAQWQO-GQCTYLIASA-N 1 1 278.193 3.417 20 30 CGEDMO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@H](CC#N)C2)cc1F ZINC000862408215 629365069 /nfs/dbraw/zinc/36/50/69/629365069.db2.gz XRGBDJXXXAQZPW-LBPRGKRZSA-N 1 1 293.361 3.156 20 30 CGEDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@@H](CC#N)C2)cc1F ZINC000862408215 629365073 /nfs/dbraw/zinc/36/50/73/629365073.db2.gz XRGBDJXXXAQZPW-LBPRGKRZSA-N 1 1 293.361 3.156 20 30 CGEDMO C#C[C@H]([NH2+]Cc1c(F)ccc(F)c1Cl)C1CCOCC1 ZINC000862418447 629368501 /nfs/dbraw/zinc/36/85/01/629368501.db2.gz JNFPVWVUWFCUPR-AWEZNQCLSA-N 1 1 299.748 3.136 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(Br)cs2)C1 ZINC000862442641 629374432 /nfs/dbraw/zinc/37/44/32/629374432.db2.gz DZKCDMRAFCCIAS-SNVBAGLBSA-N 1 1 284.222 3.356 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cccc(OC)c2OC(F)F)C1 ZINC000862443261 629375052 /nfs/dbraw/zinc/37/50/52/629375052.db2.gz NCWBWHQFGUTBQF-LBPRGKRZSA-N 1 1 295.329 3.142 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cn(-c3cccc(C)c3)nc2C)C1 ZINC000862448332 629381452 /nfs/dbraw/zinc/38/14/52/629381452.db2.gz XHGVQEJHFXELEQ-QGZVFWFLSA-N 1 1 293.414 3.334 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000792897871 629391813 /nfs/dbraw/zinc/39/18/13/629391813.db2.gz GMBXTLZROQBVDH-CMPLNLGQSA-N 1 1 275.223 3.442 20 30 CGEDMO Cc1c(F)nccc1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000862544633 629398545 /nfs/dbraw/zinc/39/85/45/629398545.db2.gz QMYWXVVZKZPYMU-UHFFFAOYSA-N 1 1 295.361 3.154 20 30 CGEDMO Cc1c(F)nccc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000862544633 629398548 /nfs/dbraw/zinc/39/85/48/629398548.db2.gz QMYWXVVZKZPYMU-UHFFFAOYSA-N 1 1 295.361 3.154 20 30 CGEDMO CN(C)c1ccc(C[NH2+]CC(C)(C)C#N)c(C(F)(F)F)c1 ZINC000793077249 629408096 /nfs/dbraw/zinc/40/80/96/629408096.db2.gz YFTIQIHMWXIHDN-UHFFFAOYSA-N 1 1 299.340 3.411 20 30 CGEDMO CCCCCCCC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000862791706 629436294 /nfs/dbraw/zinc/43/62/94/629436294.db2.gz GOOCTDYPDOAKAI-OAHLLOKOSA-N 1 1 268.445 3.195 20 30 CGEDMO Cc1cc([C@@H](C)[NH2+][C@@H](CCC#N)c2ccccc2)n(C)n1 ZINC000793547541 629481752 /nfs/dbraw/zinc/48/17/52/629481752.db2.gz JFGHZIBLKLQRMS-ZBFHGGJFSA-N 1 1 282.391 3.424 20 30 CGEDMO C#CCOc1ccc([C@H](C)NC[C@@H](C)[NH+](CC)CC)cc1 ZINC000794831137 629583251 /nfs/dbraw/zinc/58/32/51/629583251.db2.gz NMVNHKJZTIRIFP-CVEARBPZSA-N 1 1 288.435 3.080 20 30 CGEDMO C=CCNN=C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000794997923 629617672 /nfs/dbraw/zinc/61/76/72/629617672.db2.gz CSCSZVODAGZDTM-UHFFFAOYSA-N 1 1 271.408 3.193 20 30 CGEDMO C#CC[N@H+](CC[C@@H](O)c1ccccc1)Cc1ccc(F)cc1 ZINC000795877279 629722583 /nfs/dbraw/zinc/72/25/83/629722583.db2.gz FPEQNXVBEKVOJY-LJQANCHMSA-N 1 1 297.373 3.385 20 30 CGEDMO C=CC[N@H+](CCCc1ccc2c(c1)CCO2)C(C)C ZINC000795874396 629722898 /nfs/dbraw/zinc/72/28/98/629722898.db2.gz XIEHWTVBOLLZAA-UHFFFAOYSA-N 1 1 259.393 3.451 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)Cc1ccnc(Cl)c1 ZINC000796639988 629809013 /nfs/dbraw/zinc/80/90/13/629809013.db2.gz RXCQCQYHBOOAQQ-UHFFFAOYSA-N 1 1 270.763 3.370 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccnc(Cl)c1 ZINC000796639988 629809018 /nfs/dbraw/zinc/80/90/18/629809018.db2.gz RXCQCQYHBOOAQQ-UHFFFAOYSA-N 1 1 270.763 3.370 20 30 CGEDMO CC1=C[C@H](C)C[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000797605662 629970509 /nfs/dbraw/zinc/97/05/09/629970509.db2.gz UFDLSWRHSSUGGB-DZGCQCFKSA-N 1 1 270.376 3.375 20 30 CGEDMO C=CC[C@H](CC)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000798937141 630127603 /nfs/dbraw/zinc/12/76/03/630127603.db2.gz OWIXDRLZHBVASY-YPMHNXCESA-N 1 1 277.364 3.184 20 30 CGEDMO N#CC1(CCCO[NH+]=C(N)C2CCCCC2)CCOCC1 ZINC000799175269 630153414 /nfs/dbraw/zinc/15/34/14/630153414.db2.gz UEMUQUWSKZVZBM-UHFFFAOYSA-N 1 1 293.411 3.166 20 30 CGEDMO C=CC[C@@H]1[N@H+](C[C@H](O)c2ccc(F)cn2)CCCC1(C)C ZINC000799324614 630167094 /nfs/dbraw/zinc/16/70/94/630167094.db2.gz VKWMETXEAZTWJR-HOTGVXAUSA-N 1 1 292.398 3.321 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cn(C2CC2)cn1 ZINC000865605454 630216601 /nfs/dbraw/zinc/21/66/01/630216601.db2.gz AJBLBFMSVKJONS-GOSISDBHSA-N 1 1 292.386 3.257 20 30 CGEDMO CC[N@@H+](CCO[C@@H](C)C#N)Cc1ccc(Cl)cc1 ZINC000801913842 630365098 /nfs/dbraw/zinc/36/50/98/630365098.db2.gz ODQIJZSZRZQHLW-LBPRGKRZSA-N 1 1 266.772 3.091 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCS[C@H](C)[C@@H]1c1ccccc1 ZINC000801921391 630366728 /nfs/dbraw/zinc/36/67/28/630366728.db2.gz BLLYVFGLOQEOIM-IIAWOOMASA-N 1 1 290.432 3.094 20 30 CGEDMO CC[C@@H]1C[N@@H+](CCO[C@@H](C)C#N)CC[C@@H]1c1ccccc1 ZINC000801924885 630367909 /nfs/dbraw/zinc/36/79/09/630367909.db2.gz ARAYWLHFHPDABT-JZXOWHBKSA-N 1 1 286.419 3.431 20 30 CGEDMO C=CC(C)(C)CCCNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000876321428 634816875 /nfs/dbraw/zinc/81/68/75/634816875.db2.gz OPMYGZSSDFIZJG-CABCVRRESA-N 1 1 295.471 3.103 20 30 CGEDMO CC(=NNc1cc[nH+]cc1)c1cc(Cl)cc(C)c1O ZINC000807981116 630610858 /nfs/dbraw/zinc/61/08/58/630610858.db2.gz HHRPHXKUKROGIM-UHFFFAOYSA-N 1 1 275.739 3.007 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)CN1CC(C)(C)CC1=O ZINC000808180855 630629939 /nfs/dbraw/zinc/62/99/39/630629939.db2.gz APNQGTAYXQPFDM-UHFFFAOYSA-N 1 1 286.419 3.281 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)CN1CC(C)(C)CC1=O ZINC000808180855 630629942 /nfs/dbraw/zinc/62/99/42/630629942.db2.gz APNQGTAYXQPFDM-UHFFFAOYSA-N 1 1 286.419 3.281 20 30 CGEDMO C#CC[N@H+](CCC(=O)C(C)C)[C@@H]1CCc2ccccc21 ZINC000808711937 630668831 /nfs/dbraw/zinc/66/88/31/630668831.db2.gz WWEVWMSBSLUXOY-QGZVFWFLSA-N 1 1 269.388 3.224 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)[C@H](C)Cc2ccc(O)cc2)cc1 ZINC000809574569 630752298 /nfs/dbraw/zinc/75/22/98/630752298.db2.gz QCWYTQPOBCKUQS-OAHLLOKOSA-N 1 1 279.383 3.437 20 30 CGEDMO C#CC[N@H+](Cc1cc(C)c(O)c(C)c1)C1CCCC1 ZINC000809585244 630756127 /nfs/dbraw/zinc/75/61/27/630756127.db2.gz FRHIJTGOIKMLFL-UHFFFAOYSA-N 1 1 257.377 3.387 20 30 CGEDMO C#Cc1ccc(CNc2ccc3c(c2)C[N@@H+](C)C3)cc1 ZINC000809633929 630769335 /nfs/dbraw/zinc/76/93/35/630769335.db2.gz NLLDKTBNHLRPMR-UHFFFAOYSA-N 1 1 262.356 3.225 20 30 CGEDMO C#C[C@H](C)[NH2+]Cc1c(C)nn(Cc2ccccc2)c1Cl ZINC000809682895 630779913 /nfs/dbraw/zinc/77/99/13/630779913.db2.gz HXDQVMMQHCPQGX-LBPRGKRZSA-N 1 1 287.794 3.005 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCCCC[C@H]2C[C@H](C)O)cc1 ZINC000809701331 630785957 /nfs/dbraw/zinc/78/59/57/630785957.db2.gz XBSFQTJHOFASOP-YJBOKZPZSA-N 1 1 271.404 3.183 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1cc(OCC)ccc1O ZINC000809716692 630790060 /nfs/dbraw/zinc/79/00/60/630790060.db2.gz RDJRLXNAPGAIDS-UHFFFAOYSA-N 1 1 295.382 3.426 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)C[C@@H]1CCO[C@@H](CC)C1 ZINC000809718867 630791671 /nfs/dbraw/zinc/79/16/71/630791671.db2.gz ZUDYEIVWCUFQHC-MSOLQXFVSA-N 1 1 271.404 3.327 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)cc1 ZINC000809749322 630798653 /nfs/dbraw/zinc/79/86/53/630798653.db2.gz MKGZPIGKHKAXOP-KRWDZBQOSA-N 1 1 299.414 3.222 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)Cc2ccccc2N(C)C)cc1 ZINC000809787752 630809726 /nfs/dbraw/zinc/80/97/26/630809726.db2.gz IRVKBXWMINURIE-UHFFFAOYSA-N 1 1 278.399 3.366 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1COC(=O)NC1CCCC1 ZINC000810033221 630832286 /nfs/dbraw/zinc/83/22/86/630832286.db2.gz DCBBFFIQTVKCSU-MRXNPFEDSA-N 1 1 294.439 3.476 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)C[C@H]2CC(C)=C[C@@H](C)C2)n1 ZINC000811497872 631076385 /nfs/dbraw/zinc/07/63/85/631076385.db2.gz WWTMENUOJQEDRM-NVXWUHKLSA-N 1 1 285.435 3.331 20 30 CGEDMO C[C@H]1C(N=Nc2cccc(F)n2)CC[N@H+]1Cc1ccccc1 ZINC000811650399 631098379 /nfs/dbraw/zinc/09/83/79/631098379.db2.gz XXLDIYQOYPUMLN-ZDUSSCGKSA-N 1 1 298.365 3.283 20 30 CGEDMO CC(=[NH+]OC/C=C/Cl)c1cccc(N2CCOCC2)c1 ZINC000811670964 631108900 /nfs/dbraw/zinc/10/89/00/631108900.db2.gz JXCCRDGDITYVMT-JRFVQIMXSA-N 1 1 294.782 3.016 20 30 CGEDMO C#CC[N@@H+](CC)CCCCCn1c(C)nc2ccccc21 ZINC000812828282 631321199 /nfs/dbraw/zinc/32/11/99/631321199.db2.gz OYXGUQXIJMNJPP-UHFFFAOYSA-N 1 1 283.419 3.470 20 30 CGEDMO CCCC[N@@H+](CC)Cc1cc(C#N)cnc1Cl ZINC000876528531 634851690 /nfs/dbraw/zinc/85/16/90/634851690.db2.gz SBCDWWYNSAUHMG-UHFFFAOYSA-N 1 1 251.761 3.229 20 30 CGEDMO C#CCCCCCC[N@H+](C)Cc1ccc(C(=O)NC)cc1 ZINC000876550965 634855676 /nfs/dbraw/zinc/85/56/76/634855676.db2.gz MWZIMQLCZKPXKA-UHFFFAOYSA-N 1 1 286.419 3.062 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+]1CCC[C@@H](CSC)C1 ZINC000814179807 631539303 /nfs/dbraw/zinc/53/93/03/631539303.db2.gz ZRRVWJZXZMBSLI-OAHLLOKOSA-N 1 1 289.444 3.274 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000814677038 631620809 /nfs/dbraw/zinc/62/08/09/631620809.db2.gz MYLPLAMLNRFOLX-AWEZNQCLSA-N 1 1 292.220 3.337 20 30 CGEDMO CC(C)(C#N)[C@H]1CCCC1=[NH+]n1cc(Br)cn1 ZINC000814884369 631665139 /nfs/dbraw/zinc/66/51/39/631665139.db2.gz IVYPFMUDXSLGCW-JTQLQIEISA-N 1 1 295.184 3.200 20 30 CGEDMO Cl/C=C/CO[NH+]=C1CC[C@H]2CNc3cccc1c32 ZINC000814934286 631689449 /nfs/dbraw/zinc/68/94/49/631689449.db2.gz QUNTXWWEVSLFLG-VSVJNUKZSA-N 1 1 262.740 3.463 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@H]1COc1ccc(Cl)cc1 ZINC000815008805 631703852 /nfs/dbraw/zinc/70/38/52/631703852.db2.gz OSEAHJBYYWSXES-HNNXBMFYSA-N 1 1 295.810 3.386 20 30 CGEDMO C[C@]12CC[N@H+]([C@@H]3CC[C@@H](C#N)C3)C[C@H]1C2(Cl)Cl ZINC000815114741 631720511 /nfs/dbraw/zinc/72/05/11/631720511.db2.gz USWHVGJIJUWRDD-KKOKHZNYSA-N 1 1 273.207 3.194 20 30 CGEDMO CC(C)[N@@H+](CCOCCC#N)[C@H](C)c1ccccc1 ZINC000815120847 631721098 /nfs/dbraw/zinc/72/10/98/631721098.db2.gz NCILSEAKLHCSTF-OAHLLOKOSA-N 1 1 260.381 3.388 20 30 CGEDMO C[C@H](C#N)C[N@H+](C)Cc1ccc2ccccc2c1O ZINC000816492742 631991800 /nfs/dbraw/zinc/99/18/00/631991800.db2.gz AWRQPJFQXGUOCR-GFCCVEGCSA-N 1 1 254.333 3.137 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C)Cc1ccc2ccccc2c1O ZINC000816492742 631991805 /nfs/dbraw/zinc/99/18/05/631991805.db2.gz AWRQPJFQXGUOCR-GFCCVEGCSA-N 1 1 254.333 3.137 20 30 CGEDMO C#C[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1OC)[C@H]1CCCO1 ZINC000817584047 632190362 /nfs/dbraw/zinc/19/03/62/632190362.db2.gz QURGONGPABNVID-BYCMXARLSA-N 1 1 293.794 3.180 20 30 CGEDMO C#C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1OC)[C@@H]1CCCO1 ZINC000817584048 632190567 /nfs/dbraw/zinc/19/05/67/632190567.db2.gz QURGONGPABNVID-CQDKDKBSSA-N 1 1 293.794 3.180 20 30 CGEDMO C[N@H+](CCc1cccc(C#N)c1)CC[C@@H](O)c1ccccc1 ZINC000879433351 635786536 /nfs/dbraw/zinc/78/65/36/635786536.db2.gz XGWNKCPKCPTFNF-LJQANCHMSA-N 1 1 294.398 3.156 20 30 CGEDMO C[N@@H+](CCC(=O)c1ccccc1)CCc1cccc(C#N)c1 ZINC000879432530 635786985 /nfs/dbraw/zinc/78/69/85/635786985.db2.gz BYPOIFCBLBZSFK-UHFFFAOYSA-N 1 1 292.382 3.306 20 30 CGEDMO CC(C)c1cnc(C[N@H+](C)CCc2cccc(C#N)c2)o1 ZINC000879434143 635787436 /nfs/dbraw/zinc/78/74/36/635787436.db2.gz POQDDSLJGMNAKW-UHFFFAOYSA-N 1 1 283.375 3.344 20 30 CGEDMO CC(C)c1cnc(C[N@@H+](C)CCc2cccc(C#N)c2)o1 ZINC000879434143 635787439 /nfs/dbraw/zinc/78/74/39/635787439.db2.gz POQDDSLJGMNAKW-UHFFFAOYSA-N 1 1 283.375 3.344 20 30 CGEDMO C[C@@H](c1ccncc1)[N@@H+](C)CCc1cccc(C#N)c1 ZINC000879433954 635787548 /nfs/dbraw/zinc/78/75/48/635787548.db2.gz LFKCIUTYKXOFEQ-AWEZNQCLSA-N 1 1 265.360 3.189 20 30 CGEDMO CCCCCCCCC(=O)N1CC[N@@H+](C)C[C@H]1CC ZINC000818972517 632358289 /nfs/dbraw/zinc/35/82/89/632358289.db2.gz XHJCHSVTTUHSFI-OAHLLOKOSA-N 1 1 268.445 3.290 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000819156293 632390928 /nfs/dbraw/zinc/39/09/28/632390928.db2.gz ZJZLNSBQQNAXLO-GOEBONIOSA-N 1 1 295.386 3.466 20 30 CGEDMO FC1(F)CC1=C[NH2+]Nc1cc(Cl)nc(Cl)c1 ZINC000819829003 632527041 /nfs/dbraw/zinc/52/70/41/632527041.db2.gz YESCXUWCUBDKTR-YFKPBYRVSA-N 1 1 266.078 3.441 20 30 CGEDMO C[N@@H+](CC(C)(C)CCC#N)C[C@@](C)(O)c1ccccc1 ZINC000822515691 632953261 /nfs/dbraw/zinc/95/32/61/632953261.db2.gz DXXZLTHIMZOLQX-QGZVFWFLSA-N 1 1 274.408 3.156 20 30 CGEDMO C#CCOc1ccccc1C[NH2+]Cc1cc(F)ccc1F ZINC000105496364 635869717 /nfs/dbraw/zinc/86/97/17/635869717.db2.gz BKKZUNRPKAQPRP-UHFFFAOYSA-N 1 1 287.309 3.267 20 30 CGEDMO Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866266511 633052181 /nfs/dbraw/zinc/05/21/81/633052181.db2.gz IOADZVIMUALADB-VHSXEESVSA-N 1 1 285.347 3.281 20 30 CGEDMO CCc1noc(CC)c1C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866282185 633064505 /nfs/dbraw/zinc/06/45/05/633064505.db2.gz ZKGHGLUEHMYMLG-LLVKDONJSA-N 1 1 299.374 3.227 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cnc(Cl)cn1 ZINC000823619032 633128266 /nfs/dbraw/zinc/12/82/66/633128266.db2.gz WTDGEJZMQOEDCA-NSHDSACASA-N 1 1 286.766 3.195 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cnc(Cl)cn1 ZINC000823619032 633128268 /nfs/dbraw/zinc/12/82/68/633128268.db2.gz WTDGEJZMQOEDCA-NSHDSACASA-N 1 1 286.766 3.195 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000824099551 633194837 /nfs/dbraw/zinc/19/48/37/633194837.db2.gz ULMMLWMRCZYJHC-UHFFFAOYSA-N 1 1 267.756 3.080 20 30 CGEDMO C[C@@H]([NH2+]Cc1cc(C2CC2)nn1C)c1ccc(C#N)cc1F ZINC000824153526 633204942 /nfs/dbraw/zinc/20/49/42/633204942.db2.gz NNUGPNKUZLUOTQ-LLVKDONJSA-N 1 1 298.365 3.159 20 30 CGEDMO C=CC[N@H+](Cc1ccc(O[C@@H](C)COC)cc1)C(C)C ZINC000824580485 633262220 /nfs/dbraw/zinc/26/22/20/633262220.db2.gz GKDJRCNOTWBGJK-HNNXBMFYSA-N 1 1 277.408 3.497 20 30 CGEDMO CCCCCCCCNC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000868439861 633323668 /nfs/dbraw/zinc/32/36/68/633323668.db2.gz YHKFVDGPGSAEGS-CVEARBPZSA-N 1 1 295.471 3.083 20 30 CGEDMO Cc1ccc([C@H](C)[NH2+]CC(C)(C)C#N)cc1[N+](=O)[O-] ZINC000122295066 633363797 /nfs/dbraw/zinc/36/37/97/633363797.db2.gz BBEQPFGZMMPRQW-NSHDSACASA-N 1 1 261.325 3.104 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc3c(cccc3C)[nH]2)C1 ZINC000826535450 633411602 /nfs/dbraw/zinc/41/16/02/633411602.db2.gz XDWDOXWEKCELKN-AWEZNQCLSA-N 1 1 252.361 3.322 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000826861525 633437949 /nfs/dbraw/zinc/43/79/49/633437949.db2.gz GLWRBOYHOTYTGX-LLVKDONJSA-N 1 1 264.756 3.171 20 30 CGEDMO CCCCCCCCC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827347358 633483724 /nfs/dbraw/zinc/48/37/24/633483724.db2.gz UOKRBGKLOVTYMC-HOTGVXAUSA-N 1 1 280.456 3.290 20 30 CGEDMO C#CCC[N@H+](CCOC)C[C@@H](C)c1cc(F)cc(F)c1 ZINC000827826560 633522482 /nfs/dbraw/zinc/52/24/82/633522482.db2.gz IVOYHJONZILZRE-CYBMUJFWSA-N 1 1 281.346 3.040 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1ccc(OC)c2ccccc12 ZINC000827822703 633522753 /nfs/dbraw/zinc/52/27/53/633522753.db2.gz CQODMQXEWJYQPL-UHFFFAOYSA-N 1 1 297.398 3.320 20 30 CGEDMO CC(C)(C#N)CC(=O)OC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000870733471 633637879 /nfs/dbraw/zinc/63/78/79/633637879.db2.gz NTLGSNHYLYKWPF-OAHLLOKOSA-N 1 1 292.423 3.267 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(C)C)C1 ZINC000829773410 633780962 /nfs/dbraw/zinc/78/09/62/633780962.db2.gz DYBWWPWGSJIYLJ-INIZCTEOSA-N 1 1 298.430 3.484 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000829773137 633781517 /nfs/dbraw/zinc/78/15/17/633781517.db2.gz BBRWARPOUJSAQQ-INIZCTEOSA-N 1 1 279.387 3.108 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CC[C@@H]([C@@H]2CCCC2(C)C)C1 ZINC000830178056 633836312 /nfs/dbraw/zinc/83/63/12/633836312.db2.gz UVEQHFJNVQWLGK-KFWWJZLASA-N 1 1 264.413 3.063 20 30 CGEDMO C#CC1CC[NH+](Cc2cc(-c3cccs3)on2)CC1 ZINC000830305038 633848781 /nfs/dbraw/zinc/84/87/81/633848781.db2.gz FAWTZOCJGFYSPL-UHFFFAOYSA-N 1 1 272.373 3.248 20 30 CGEDMO C#CC1CC[NH+](Cc2nc3cc(F)ccc3n2CC)CC1 ZINC000830342812 633853275 /nfs/dbraw/zinc/85/32/75/633853275.db2.gz BUCVNFDIVGHXJW-UHFFFAOYSA-N 1 1 285.366 3.041 20 30 CGEDMO C=C(Cl)C[C@H]([NH3+])c1nc(C2CCCCC2)no1 ZINC000871781317 633862676 /nfs/dbraw/zinc/86/26/76/633862676.db2.gz XNYRFFWCLGUVIG-JTQLQIEISA-N 1 1 255.749 3.260 20 30 CGEDMO Cc1cc(F)ccc1[C@@H]1CCC[N@@H+]1CCO[C@H](C)C#N ZINC000832524720 634069828 /nfs/dbraw/zinc/06/98/28/634069828.db2.gz RCBLGVWNKABJJR-CJNGLKHVSA-N 1 1 276.355 3.200 20 30 CGEDMO C=C(Cl)C[C@H]([NH3+])c1nc([C@@H]2CCC(F)(F)C2)no1 ZINC000872180725 634077333 /nfs/dbraw/zinc/07/73/33/634077333.db2.gz ANCKPGYQMYQJRQ-SFYZADRCSA-N 1 1 277.702 3.115 20 30 CGEDMO C[N@@H+](Cc1cc2c(cc1O)CCC2)[C@H]1CCC[C@H]1C#N ZINC000872684044 634187414 /nfs/dbraw/zinc/18/74/14/634187414.db2.gz ZYDOVHZHJXRKEP-HOCLYGCPSA-N 1 1 270.376 3.005 20 30 CGEDMO C=CC[C@@H]([NH2+][C@H](C)c1nccn1CC)c1ccncc1 ZINC000834588267 634192230 /nfs/dbraw/zinc/19/22/30/634192230.db2.gz AJQLYYSKDKIXAD-UKRRQHHQSA-N 1 1 270.380 3.266 20 30 CGEDMO CCN(C)c1ccccc1C[NH2+]Cc1cccc(F)c1C#N ZINC000873048186 634237177 /nfs/dbraw/zinc/23/71/77/634237177.db2.gz RQCHSZPXXSFIKG-UHFFFAOYSA-N 1 1 297.377 3.443 20 30 CGEDMO C#CCOc1ccc([C@@H](C)[NH2+]Cc2cnc(CC)o2)cc1 ZINC000834898433 634274264 /nfs/dbraw/zinc/27/42/64/634274264.db2.gz CXRDTNTYUKLPCG-CYBMUJFWSA-N 1 1 284.359 3.100 20 30 CGEDMO CCCc1ncc(C[NH2+][C@@H](C)c2ccc(OCC#N)cc2)o1 ZINC000834899825 634277026 /nfs/dbraw/zinc/27/70/26/634277026.db2.gz LXHBCEFPEFYKLB-ZDUSSCGKSA-N 1 1 299.374 3.380 20 30 CGEDMO CCOC(=O)c1ccc(N[NH2+]C=C2CC2(F)F)cc1C ZINC000834978999 634302046 /nfs/dbraw/zinc/30/20/46/634302046.db2.gz KKJFFANGJFPRRL-JTQLQIEISA-N 1 1 282.290 3.225 20 30 CGEDMO CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000835047026 634333281 /nfs/dbraw/zinc/33/32/81/634333281.db2.gz BSBGCFLBVFDAMF-MJICGBHWSA-N 1 1 283.419 3.391 20 30 CGEDMO CN(C)c1ccc(/C=C/C[N@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000835047026 634333286 /nfs/dbraw/zinc/33/32/86/634333286.db2.gz BSBGCFLBVFDAMF-MJICGBHWSA-N 1 1 283.419 3.391 20 30 CGEDMO C#CCCCCCC[N@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC000876627940 634871385 /nfs/dbraw/zinc/87/13/85/634871385.db2.gz LPUJNNVOIGTDOM-OAHLLOKOSA-N 1 1 275.396 3.489 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCCC[C@@H]1c1noc(C)n1 ZINC000876627940 634871386 /nfs/dbraw/zinc/87/13/86/634871386.db2.gz LPUJNNVOIGTDOM-OAHLLOKOSA-N 1 1 275.396 3.489 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cnc2c(cnn2C)c1 ZINC000876751106 634892584 /nfs/dbraw/zinc/89/25/84/634892584.db2.gz UWTHWBJTGDMXOB-UHFFFAOYSA-N 1 1 272.396 3.147 20 30 CGEDMO C=CC[C@H]([NH2+]Cc1cc(OC)cnc1F)c1ccncc1 ZINC000877047121 634962493 /nfs/dbraw/zinc/96/24/93/634962493.db2.gz XLPHTCVNSFQUAB-HNNXBMFYSA-N 1 1 287.338 3.031 20 30 CGEDMO C#CCCCCCC[N@@H+]1CC[C@H](N2CCCC2)[C@H]1C ZINC000877521880 635070997 /nfs/dbraw/zinc/07/09/97/635070997.db2.gz JYQDKUMOJWRFQD-SJORKVTESA-N 1 1 262.441 3.129 20 30 CGEDMO C#CCCCCCCN1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000877521880 635071008 /nfs/dbraw/zinc/07/10/08/635071008.db2.gz JYQDKUMOJWRFQD-SJORKVTESA-N 1 1 262.441 3.129 20 30 CGEDMO N#Cc1cnc(Cl)c(C[N@@H+]2CCC[C@@H](C3CC3)C2)c1 ZINC000877535716 635077214 /nfs/dbraw/zinc/07/72/14/635077214.db2.gz RQOOGNFTLQAYBW-CYBMUJFWSA-N 1 1 275.783 3.229 20 30 CGEDMO N#Cc1cnc(Cl)c(C[N@H+]2CCC[C@@H](C3CC3)C2)c1 ZINC000877535716 635077220 /nfs/dbraw/zinc/07/72/20/635077220.db2.gz RQOOGNFTLQAYBW-CYBMUJFWSA-N 1 1 275.783 3.229 20 30 CGEDMO C#CCCCCCC[N@@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000877541246 635079454 /nfs/dbraw/zinc/07/94/54/635079454.db2.gz DZUJRMWCXSCPPW-INIZCTEOSA-N 1 1 259.397 3.022 20 30 CGEDMO C[C@@H]1CC[N@H+](Cc2cc(C#N)cnc2Cl)[C@H](C)C1 ZINC000877597748 635106460 /nfs/dbraw/zinc/10/64/60/635106460.db2.gz XJCNXBJFQMZLLK-GHMZBOCLSA-N 1 1 263.772 3.227 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cc(C#N)cnc2Cl)[C@H](C)C1 ZINC000877597748 635106462 /nfs/dbraw/zinc/10/64/62/635106462.db2.gz XJCNXBJFQMZLLK-GHMZBOCLSA-N 1 1 263.772 3.227 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(C(F)F)nc2)C1 ZINC000877605715 635108314 /nfs/dbraw/zinc/10/83/14/635108314.db2.gz WMKOJSSLFSAVEK-LBPRGKRZSA-N 1 1 264.319 3.255 20 30 CGEDMO COc1ccc(N(C)CC[N@@H+](C)C[C@@H](C)CCC#N)cc1 ZINC000877611046 635111445 /nfs/dbraw/zinc/11/14/45/635111445.db2.gz VYGFRPKVWGMWFQ-HNNXBMFYSA-N 1 1 289.423 3.003 20 30 CGEDMO CCCCCC[N@H+](C)CC(=O)OCc1ccc(C#N)cc1 ZINC000126631989 635122227 /nfs/dbraw/zinc/12/22/27/635122227.db2.gz FFSMFHCMXRDGDW-UHFFFAOYSA-N 1 1 288.391 3.114 20 30 CGEDMO CCCCCC[N@@H+](C)CC(=O)OCc1ccc(C#N)cc1 ZINC000126631989 635122234 /nfs/dbraw/zinc/12/22/34/635122234.db2.gz FFSMFHCMXRDGDW-UHFFFAOYSA-N 1 1 288.391 3.114 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877651617 635133055 /nfs/dbraw/zinc/13/30/55/635133055.db2.gz YZTBLXMPNVSVTO-NSHDSACASA-N 1 1 261.756 3.005 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000877658084 635135040 /nfs/dbraw/zinc/13/50/40/635135040.db2.gz NOQBDONPQKBGPQ-PBHICJAKSA-N 1 1 299.418 3.352 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000877710768 635159954 /nfs/dbraw/zinc/15/99/54/635159954.db2.gz RZJYGSDVYFBGPJ-HOCLYGCPSA-N 1 1 264.413 3.350 20 30 CGEDMO Cc1cc(C[N@H+]2CC[C@H]3CSC[C@H]3C2)ccc1C#N ZINC000877740136 635175464 /nfs/dbraw/zinc/17/54/64/635175464.db2.gz VEXKPFFOOSQFPU-JKSUJKDBSA-N 1 1 272.417 3.052 20 30 CGEDMO CCCNN=C1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000841618384 635198232 /nfs/dbraw/zinc/19/82/32/635198232.db2.gz DOISPUYVGUGADV-QGZVFWFLSA-N 1 1 271.408 3.342 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000877961706 635290927 /nfs/dbraw/zinc/29/09/27/635290927.db2.gz VTFUZZNEJSZIQE-OAHLLOKOSA-N 1 1 269.392 3.035 20 30 CGEDMO C=CC[C@@H](C)[N@@H+](C)Cc1cc(Br)cn1C ZINC000878188019 635403929 /nfs/dbraw/zinc/40/39/29/635403929.db2.gz CKXDDNGPJSKNDB-SNVBAGLBSA-N 1 1 271.202 3.184 20 30 CGEDMO C[C@H](C#N)C[N@@H+](CC[C@@H]1CCCC1(F)F)C1CC1 ZINC000878299784 635449987 /nfs/dbraw/zinc/44/99/87/635449987.db2.gz ZBDNNJCWUJKACP-NEPJUHHUSA-N 1 1 256.340 3.436 20 30 CGEDMO C#CCCCCC[N@@H+]1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000878322028 635461784 /nfs/dbraw/zinc/46/17/84/635461784.db2.gz ZIEQEDZBWAPNGW-OAHLLOKOSA-N 1 1 259.397 3.357 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1coc(-c2ccccc2OC)n1 ZINC000878383380 635483301 /nfs/dbraw/zinc/48/33/01/635483301.db2.gz OWESHFOHMYYRSJ-UHFFFAOYSA-N 1 1 272.348 3.358 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1coc(-c2ccccc2OC)n1 ZINC000878383380 635483305 /nfs/dbraw/zinc/48/33/05/635483305.db2.gz OWESHFOHMYYRSJ-UHFFFAOYSA-N 1 1 272.348 3.358 20 30 CGEDMO C#CCCCCC[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000878398483 635488015 /nfs/dbraw/zinc/48/80/15/635488015.db2.gz GNBLWIKJOBFFPE-KRWDZBQOSA-N 1 1 256.393 3.140 20 30 CGEDMO C#CCCCCC[N@@H+]1CCSC[C@H]1c1nccs1 ZINC000878448345 635512189 /nfs/dbraw/zinc/51/21/89/635512189.db2.gz SJXUFUOSBCAFLK-ZDUSSCGKSA-N 1 1 280.462 3.427 20 30 CGEDMO C#CCCCCC[N@H+]1CCSC[C@H]1c1nccs1 ZINC000878448345 635512194 /nfs/dbraw/zinc/51/21/94/635512194.db2.gz SJXUFUOSBCAFLK-ZDUSSCGKSA-N 1 1 280.462 3.427 20 30 CGEDMO CC1(C)C[C@H](C[N@H+]2Cc3cccc(C#N)c3C2)C(C)(C)O1 ZINC000878812499 635636061 /nfs/dbraw/zinc/63/60/61/635636061.db2.gz CTMDKKPBYZFXFD-OAHLLOKOSA-N 1 1 284.403 3.468 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000843421857 635664888 /nfs/dbraw/zinc/66/48/88/635664888.db2.gz ADLYKMWCDBOAJG-CYBMUJFWSA-N 1 1 285.416 3.374 20 30 CGEDMO C#CCOc1ccccc1C[NH+]1CC(C)(CC(F)F)C1 ZINC000843424536 635668234 /nfs/dbraw/zinc/66/82/34/635668234.db2.gz CGCLOJMVCVJQKD-UHFFFAOYSA-N 1 1 279.330 3.176 20 30 CGEDMO C=C(C)CC[N@H+]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC000879634861 635824301 /nfs/dbraw/zinc/82/43/01/635824301.db2.gz YHRQRLVNQUXTTC-INIZCTEOSA-N 1 1 261.365 3.035 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CC[C@@H](c2ccccc2F)C1(C)C ZINC000879641469 635825305 /nfs/dbraw/zinc/82/53/05/635825305.db2.gz YIWALFOYGBFBKX-ZFWWWQNUSA-N 1 1 290.382 3.322 20 30 CGEDMO C#CCC[N@H+]1CCc2oc(-c3ccccc3)cc2C1 ZINC000844364201 635881126 /nfs/dbraw/zinc/88/11/26/635881126.db2.gz PGOBXQKNIYMNHF-UHFFFAOYSA-N 1 1 251.329 3.328 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H](c2cc(C(C)C)n[nH]2)C1 ZINC000879918922 635882978 /nfs/dbraw/zinc/88/29/78/635882978.db2.gz KHFVUNBXLBZGFO-HUUCEWRRSA-N 1 1 291.439 3.040 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000879918922 635882984 /nfs/dbraw/zinc/88/29/84/635882984.db2.gz KHFVUNBXLBZGFO-HUUCEWRRSA-N 1 1 291.439 3.040 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC000879918922 635882992 /nfs/dbraw/zinc/88/29/92/635882992.db2.gz KHFVUNBXLBZGFO-HUUCEWRRSA-N 1 1 291.439 3.040 20 30 CGEDMO C[N@@H+](CCC1=CCCCC1)C[C@H](O)c1cccc(C#N)c1 ZINC000844367346 635883201 /nfs/dbraw/zinc/88/32/01/635883201.db2.gz ALFISANSGPTGIT-SFHVURJKSA-N 1 1 284.403 3.414 20 30 CGEDMO Cc1nnsc1[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000930212797 635884993 /nfs/dbraw/zinc/88/49/93/635884993.db2.gz IDJQBGFYGBBMQD-ZJUUUORDSA-N 1 1 272.377 3.130 20 30 CGEDMO CC(C)(O)[C@@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000879964848 635891085 /nfs/dbraw/zinc/89/10/85/635891085.db2.gz QOGRHGRKDLKZJE-OAHLLOKOSA-N 1 1 278.440 3.333 20 30 CGEDMO C=CCC[N@H+](C)CN1CC(c2ccc(Cl)cc2)=CC1=O ZINC000844702197 635955393 /nfs/dbraw/zinc/95/53/93/635955393.db2.gz AZILBCYEXYIONN-UHFFFAOYSA-N 1 1 290.794 3.031 20 30 CGEDMO N#CCCCC[N@@H+]1Cc2ccccc2N2CCC[C@H]2C1 ZINC000880554875 636020900 /nfs/dbraw/zinc/02/09/00/636020900.db2.gz OIFUZXDVXPNHJD-INIZCTEOSA-N 1 1 269.392 3.165 20 30 CGEDMO N#CCC1(C[N@@H+]2Cc3ccccc3N3CCC[C@H]3C2)CC1 ZINC000880555888 636020917 /nfs/dbraw/zinc/02/09/17/636020917.db2.gz WFHBJGBSCHEZQB-INIZCTEOSA-N 1 1 281.403 3.165 20 30 CGEDMO CC(C)C(C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1)C(C)C ZINC000846008670 636128368 /nfs/dbraw/zinc/12/83/68/636128368.db2.gz WVNYTHZUHPDBLD-SFHVURJKSA-N 1 1 288.435 3.452 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2C[C@@H](C)OCC23CCC3)cc1 ZINC000846067401 636140765 /nfs/dbraw/zinc/14/07/65/636140765.db2.gz RMEAURQRIBVWKF-MRXNPFEDSA-N 1 1 299.414 3.232 20 30 CGEDMO Cc1cc(C#N)ccc1N1CCC[N@H+](C(C)(C)C)CC1 ZINC000846747149 636220734 /nfs/dbraw/zinc/22/07/34/636220734.db2.gz AAFPAKPBLSMMSG-UHFFFAOYSA-N 1 1 271.408 3.177 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2OC)C1 ZINC000847024502 636315901 /nfs/dbraw/zinc/31/59/01/636315901.db2.gz JOYJLJCDKUXQHA-GFCCVEGCSA-N 1 1 263.768 3.194 20 30 CGEDMO C#C[C@H]1CCC[N@@H+]([C@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC000847027734 636316799 /nfs/dbraw/zinc/31/67/99/636316799.db2.gz WLMBXSDLPDWQNI-CABCVRRESA-N 1 1 295.386 3.451 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC000847027734 636316806 /nfs/dbraw/zinc/31/68/06/636316806.db2.gz WLMBXSDLPDWQNI-CABCVRRESA-N 1 1 295.386 3.451 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000847031457 636319232 /nfs/dbraw/zinc/31/92/32/636319232.db2.gz QUIURVOCYJHRNR-CHWSQXEVSA-N 1 1 290.794 3.012 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000847031457 636319237 /nfs/dbraw/zinc/31/92/37/636319237.db2.gz QUIURVOCYJHRNR-CHWSQXEVSA-N 1 1 290.794 3.012 20 30 CGEDMO C=CCC1(C(=O)OCC[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC000847816120 636456681 /nfs/dbraw/zinc/45/66/81/636456681.db2.gz ACUNJVONVYSGRT-AWEZNQCLSA-N 1 1 265.397 3.008 20 30 CGEDMO c1cnc(C2CCC2)c(N=NC2CCC[N@H+]3CCCC[C@H]23)n1 ZINC000848410908 636570602 /nfs/dbraw/zinc/57/06/02/636570602.db2.gz KEASRAUKNJEHFI-OAHLLOKOSA-N 1 1 299.422 3.160 20 30 CGEDMO N#CCCCC[C@@H]([NH3+])c1nc(-c2ccc(Cl)o2)no1 ZINC000848628115 636623020 /nfs/dbraw/zinc/62/30/20/636623020.db2.gz MVJOEQRQIQQTIG-MRVPVSSYSA-N 1 1 280.715 3.067 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2nc3ccc(F)cc3s2)C1 ZINC000848923212 636693935 /nfs/dbraw/zinc/69/39/35/636693935.db2.gz BJUDGAABRLLQJK-NSHDSACASA-N 1 1 274.364 3.281 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2nc3ccc(F)cc3s2)C1 ZINC000848923212 636693937 /nfs/dbraw/zinc/69/39/37/636693937.db2.gz BJUDGAABRLLQJK-NSHDSACASA-N 1 1 274.364 3.281 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(OCCC)c(OC)c2)C1 ZINC000848923513 636693994 /nfs/dbraw/zinc/69/39/94/636693994.db2.gz MAYZQXKUVNZVCI-OAHLLOKOSA-N 1 1 287.403 3.329 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000848923280 636694517 /nfs/dbraw/zinc/69/45/17/636694517.db2.gz HYIFYGRXHAUCQF-KRWDZBQOSA-N 1 1 293.414 3.334 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cn(C)nc2C2CCCCC2)C1 ZINC000848923793 636695925 /nfs/dbraw/zinc/69/59/25/636695925.db2.gz JQYSFAKIGWAIBD-OAHLLOKOSA-N 1 1 285.435 3.313 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc3nc(C)sc3c2)C1 ZINC000848924710 636696862 /nfs/dbraw/zinc/69/68/62/636696862.db2.gz YKMVJBCRLIDSEZ-ZDUSSCGKSA-N 1 1 270.401 3.450 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000848924641 636696953 /nfs/dbraw/zinc/69/69/53/636696953.db2.gz XHASZKKAMSKMDO-NSHDSACASA-N 1 1 278.739 3.093 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000848924641 636696959 /nfs/dbraw/zinc/69/69/59/636696959.db2.gz XHASZKKAMSKMDO-NSHDSACASA-N 1 1 278.739 3.093 20 30 CGEDMO Cc1cc(N(C)C)ccc1C[N@@H+]1Cc2ccc(C#N)cc2C1 ZINC000848925788 636698863 /nfs/dbraw/zinc/69/88/63/636698863.db2.gz KILLCHJFUQONLG-UHFFFAOYSA-N 1 1 291.398 3.449 20 30 CGEDMO Cc1cc(N(C)C)ccc1C[N@H+]1Cc2ccc(C#N)cc2C1 ZINC000848925788 636698868 /nfs/dbraw/zinc/69/88/68/636698868.db2.gz KILLCHJFUQONLG-UHFFFAOYSA-N 1 1 291.398 3.449 20 30 CGEDMO CC(C)(C#N)C[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000849017297 636716546 /nfs/dbraw/zinc/71/65/46/636716546.db2.gz RCKHOELCKCEQTA-UHFFFAOYSA-N 1 1 284.407 3.490 20 30 CGEDMO C=C(Br)C[NH2+]Cc1ccc(C)c(F)c1 ZINC000109069682 636935212 /nfs/dbraw/zinc/93/52/12/636935212.db2.gz JUROVNSKEGVFTI-UHFFFAOYSA-N 1 1 258.134 3.132 20 30 CGEDMO CC[C@@H]1CCCCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000135057020 637074711 /nfs/dbraw/zinc/07/47/11/637074711.db2.gz JQKYXBFQCGEXAC-SJORKVTESA-N 1 1 272.392 3.246 20 30 CGEDMO C#CC[C@H]1CCN(c2cc(C(F)(F)F)cc(C)[nH+]2)C1 ZINC000884595659 637088927 /nfs/dbraw/zinc/08/89/27/637088927.db2.gz LIGFYINWKDWGHE-NSHDSACASA-N 1 1 268.282 3.258 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H](Nc2cccc(C(F)F)c2C#N)C1 ZINC000884611288 637094442 /nfs/dbraw/zinc/09/44/42/637094442.db2.gz IRCNFSSENRVDQD-GFCCVEGCSA-N 1 1 289.329 3.005 20 30 CGEDMO C[N@@H+](C[C@@H](O)CC1(C#N)CCC1)[C@H]1CCCc2ccccc21 ZINC000885930695 637317334 /nfs/dbraw/zinc/31/73/34/637317334.db2.gz DVMRLCKRUDJDRS-WMZOPIPTSA-N 1 1 298.430 3.441 20 30 CGEDMO Cc1ccccc1[C@H]1CC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000885977491 637339808 /nfs/dbraw/zinc/33/98/08/637339808.db2.gz IREUZENFTXKTGQ-IRXDYDNUSA-N 1 1 298.430 3.229 20 30 CGEDMO C[C@@H](C[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1)c1ccccc1 ZINC000885981516 637342170 /nfs/dbraw/zinc/34/21/70/637342170.db2.gz HTFWZBUNDGXTSX-RDJZCZTQSA-N 1 1 286.419 3.167 20 30 CGEDMO N#CC1(C[C@H](O)C[N@H+]2CC[C@@H]2c2cccc(F)c2)CCC1 ZINC000886032427 637375909 /nfs/dbraw/zinc/37/59/09/637375909.db2.gz GILIFKREAXDRMM-JKSUJKDBSA-N 1 1 288.366 3.017 20 30 CGEDMO Cc1ccc([C@@H]2CC[N@@H+](C[C@@H](O)CC3(C#N)CCC3)C2)cc1 ZINC000886124856 637424343 /nfs/dbraw/zinc/42/43/43/637424343.db2.gz CFTKFLNKNTVTCN-MSOLQXFVSA-N 1 1 298.430 3.229 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CC[C@@H](OC)C1 ZINC000851738457 637485717 /nfs/dbraw/zinc/48/57/17/637485717.db2.gz HKNJLGOGRSGEAF-IAGOWNOFSA-N 1 1 270.376 3.114 20 30 CGEDMO C#CCOCC[N@H+](C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000851738920 637486985 /nfs/dbraw/zinc/48/69/85/637486985.db2.gz XNEWYCLSMWMEAX-LBPRGKRZSA-N 1 1 285.309 3.348 20 30 CGEDMO C#CC[C@H]1CC[N@H+](CC(=O)Nc2c(CC)cccc2CC)C1 ZINC000886353067 637509808 /nfs/dbraw/zinc/50/98/08/637509808.db2.gz AXVYPBJCQYGZQG-HNNXBMFYSA-N 1 1 298.430 3.095 20 30 CGEDMO C#CC[C@@H]1CC[N@H+]([C@H](C)c2ncc(C(C)(C)C)o2)C1 ZINC000886358127 637512361 /nfs/dbraw/zinc/51/23/61/637512361.db2.gz PSRNSCBDKZWXIX-CHWSQXEVSA-N 1 1 260.381 3.378 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC000886358403 637512423 /nfs/dbraw/zinc/51/24/23/637512423.db2.gz UKVVOKDELFFVPD-GFCCVEGCSA-N 1 1 272.373 3.248 20 30 CGEDMO C=CC[C@@H]1[N@H+](C[C@H](O)c2ccccn2)CCCC1(C)C ZINC000851990299 637564938 /nfs/dbraw/zinc/56/49/38/637564938.db2.gz QKPJHHGPTKSMQA-HOTGVXAUSA-N 1 1 274.408 3.182 20 30 CGEDMO C=CC[C@H]1[N@H+](C[C@H](O)c2ccccn2)CCCC1(C)C ZINC000851990301 637565705 /nfs/dbraw/zinc/56/57/05/637565705.db2.gz QKPJHHGPTKSMQA-JKSUJKDBSA-N 1 1 274.408 3.182 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)Cc2cccc(SC)c2)n1 ZINC000851996520 637566711 /nfs/dbraw/zinc/56/67/11/637566711.db2.gz UJLOUAJLWIUWMC-UHFFFAOYSA-N 1 1 299.443 3.260 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)Cc2cccc(SC)c2)n1 ZINC000851996520 637566715 /nfs/dbraw/zinc/56/67/15/637566715.db2.gz UJLOUAJLWIUWMC-UHFFFAOYSA-N 1 1 299.443 3.260 20 30 CGEDMO C#CCOCC[N@@H+]1CC=C(c2cccc(Cl)c2)CC1 ZINC000852003206 637569145 /nfs/dbraw/zinc/56/91/45/637569145.db2.gz SQNWLTYSYDGECK-UHFFFAOYSA-N 1 1 275.779 3.079 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H]1CC[C@@H](OC)C1 ZINC000852041197 637577003 /nfs/dbraw/zinc/57/70/03/637577003.db2.gz RHJYPHPSEKREDR-DLBZAZTESA-N 1 1 291.439 3.410 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+]Cc1ccn(-c2c(F)cccc2F)n1 ZINC000852099812 637594540 /nfs/dbraw/zinc/59/45/40/637594540.db2.gz BGWXDPGWPOZMMO-INIZCTEOSA-N 1 1 289.329 3.042 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+]Cc1cc(C#N)ccc1Br ZINC000852103351 637597623 /nfs/dbraw/zinc/59/76/23/637597623.db2.gz FHXNVVVZPGQEKW-AWEZNQCLSA-N 1 1 291.192 3.212 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](CC2CCC3(CC2)OCCO3)C1 ZINC000852411904 637648683 /nfs/dbraw/zinc/64/86/83/637648683.db2.gz WFTAUWPQCQVXAE-HNNXBMFYSA-N 1 1 279.424 3.208 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886686431 637651985 /nfs/dbraw/zinc/65/19/85/637651985.db2.gz PSBBPVHZOXOBIG-HNNXBMFYSA-N 1 1 286.423 3.376 20 30 CGEDMO C=CC[N@H+](C[C@H](O)c1cc(OC)ccc1OC)C(C)(C)C ZINC000852553311 637677280 /nfs/dbraw/zinc/67/72/80/637677280.db2.gz NVJXMGUVIJGWPO-HNNXBMFYSA-N 1 1 293.407 3.024 20 30 CGEDMO C=C(Br)C[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000852594362 637683336 /nfs/dbraw/zinc/68/33/36/637683336.db2.gz MGUOLCROFUMXRT-ZDUSSCGKSA-N 1 1 288.229 3.176 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886818135 637704481 /nfs/dbraw/zinc/70/44/81/637704481.db2.gz ATJDMMRUOMPDHW-GJZGRUSLSA-N 1 1 264.413 3.207 20 30 CGEDMO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCCF ZINC000887138864 637757175 /nfs/dbraw/zinc/75/71/75/637757175.db2.gz PHJWHTJTBSGZOR-UHFFFAOYSA-N 1 1 273.273 3.348 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](CN2C(=O)[C@H]3CCCCC[C@H]32)C1 ZINC000853537192 637863848 /nfs/dbraw/zinc/86/38/48/637863848.db2.gz QWNORFHFNPMRAW-OWCLPIDISA-N 1 1 276.424 3.023 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](CN2C(=O)[C@@H]3CCCCC[C@H]32)C1 ZINC000853537190 637864258 /nfs/dbraw/zinc/86/42/58/637864258.db2.gz QWNORFHFNPMRAW-BZUAXINKSA-N 1 1 276.424 3.023 20 30 CGEDMO Cc1ccn(C[N@H+]2CCCC[C@@H]2CC2CCC2)c(=O)c1C#N ZINC000853607504 637873151 /nfs/dbraw/zinc/87/31/51/637873151.db2.gz ONKLCUMXKJHAQA-MRXNPFEDSA-N 1 1 299.418 3.031 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)CCCCCC ZINC000856199664 638320187 /nfs/dbraw/zinc/32/01/87/638320187.db2.gz DHKCKWSLTUKOJB-IYBDPMFKSA-N 1 1 278.440 3.208 20 30 CGEDMO CC[C@@H]([NH2+]Cc1ccco1)c1cccc(C#N)c1O ZINC000924541960 638357100 /nfs/dbraw/zinc/35/71/00/638357100.db2.gz WQNIDKMCFXOSGD-CQSZACIVSA-N 1 1 256.305 3.098 20 30 CGEDMO Oc1ccccc1/C=N/C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000114630791 638395636 /nfs/dbraw/zinc/39/56/36/638395636.db2.gz BZRONSYOQCBJRZ-ACRNLXFHSA-N 1 1 294.398 3.476 20 30 CGEDMO C=CC[C@@H](C)NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857128132 638459484 /nfs/dbraw/zinc/45/94/84/638459484.db2.gz CJDHIAUHJLNSLF-PBHICJAKSA-N 1 1 286.419 3.190 20 30 CGEDMO C#CCCCCNC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000857151938 638463335 /nfs/dbraw/zinc/46/33/35/638463335.db2.gz SVCVMKKTTZDPCR-GOSISDBHSA-N 1 1 298.430 3.029 20 30 CGEDMO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccnnc1 ZINC000925602259 638542448 /nfs/dbraw/zinc/54/24/48/638542448.db2.gz STPVTKIGKIDOQB-CJNGLKHVSA-N 1 1 266.348 3.172 20 30 CGEDMO N#Cc1ccc(C2([NH2+][C@H]3CCCc4c[nH]nc43)CCC2)cc1 ZINC000857873146 638589236 /nfs/dbraw/zinc/58/92/36/638589236.db2.gz VFMGMGVRJPIYEP-INIZCTEOSA-N 1 1 292.386 3.328 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858046790 638622257 /nfs/dbraw/zinc/62/22/57/638622257.db2.gz DYWUJWBCJAGWEC-RHSMWYFYSA-N 1 1 284.403 3.214 20 30 CGEDMO CCCCCCCNC(=O)N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000858110977 638631462 /nfs/dbraw/zinc/63/14/62/638631462.db2.gz OBTONCYRMPIERE-INIZCTEOSA-N 1 1 297.487 3.330 20 30 CGEDMO N#Cc1cccc(C2(N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)c1 ZINC000925926212 638656070 /nfs/dbraw/zinc/65/60/70/638656070.db2.gz MQWUZRMDMJLYAH-QZTJIDSGSA-N 1 1 295.430 3.154 20 30 CGEDMO N#Cc1cccc(C2(N[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)c1 ZINC000925926212 638656080 /nfs/dbraw/zinc/65/60/80/638656080.db2.gz MQWUZRMDMJLYAH-QZTJIDSGSA-N 1 1 295.430 3.154 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)Cc1cc(C)nnc1C ZINC000929141883 638902473 /nfs/dbraw/zinc/90/24/73/638902473.db2.gz XSSQGBSTHALQHD-UHFFFAOYSA-N 1 1 273.405 3.343 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)Cc1cc(C)nnc1C ZINC000929141883 638902474 /nfs/dbraw/zinc/90/24/74/638902474.db2.gz XSSQGBSTHALQHD-UHFFFAOYSA-N 1 1 273.405 3.343 20 30 CGEDMO C[C@@H]1C[C@H](C[N@@H+](C)Cc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000929163881 638904100 /nfs/dbraw/zinc/90/41/00/638904100.db2.gz GWSQIRUNAVKYJT-HALDLXJZSA-N 1 1 272.392 3.194 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000929266118 638913516 /nfs/dbraw/zinc/91/35/16/638913516.db2.gz IEJVUVHXNQSNNG-OAHLLOKOSA-N 1 1 284.403 3.176 20 30 CGEDMO N#CC1(CCCC[N@@H+]2CCC[C@@H](N3CCCC3)C2)CCC1 ZINC000929284876 638914979 /nfs/dbraw/zinc/91/49/79/638914979.db2.gz YIUOIPCTMNVAIK-QGZVFWFLSA-N 1 1 289.467 3.411 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCC[C@@H](N3CCCC3)C2)CCC1 ZINC000929284876 638914982 /nfs/dbraw/zinc/91/49/82/638914982.db2.gz YIUOIPCTMNVAIK-QGZVFWFLSA-N 1 1 289.467 3.411 20 30 CGEDMO C#CC[N@@H+](Cc1cnc(CC)o1)[C@H]1CCc2ccccc21 ZINC000929333668 638919528 /nfs/dbraw/zinc/91/95/28/638919528.db2.gz JAQNWQAMJLKXKO-KRWDZBQOSA-N 1 1 280.371 3.360 20 30 CGEDMO C#CC[N@H+](Cc1cnc(CC)o1)[C@H]1CCc2ccccc21 ZINC000929333668 638919530 /nfs/dbraw/zinc/91/95/30/638919530.db2.gz JAQNWQAMJLKXKO-KRWDZBQOSA-N 1 1 280.371 3.360 20 30 CGEDMO CC[N@@H+](Cc1cnc(N(C)C)c2ccccc12)C[C@@H](C)C#N ZINC000929429770 638924795 /nfs/dbraw/zinc/92/47/95/638924795.db2.gz QPIPZAYLGQXVFG-AWEZNQCLSA-N 1 1 296.418 3.282 20 30 CGEDMO CC[N@H+](Cc1cnc(N(C)C)c2ccccc12)C[C@@H](C)C#N ZINC000929429770 638924796 /nfs/dbraw/zinc/92/47/96/638924796.db2.gz QPIPZAYLGQXVFG-AWEZNQCLSA-N 1 1 296.418 3.282 20 30 CGEDMO N#CC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000929502800 638929102 /nfs/dbraw/zinc/92/91/02/638929102.db2.gz XIGYTMDCUXJPKY-BXUZGUMPSA-N 1 1 298.308 3.117 20 30 CGEDMO N#CC[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000929502800 638929104 /nfs/dbraw/zinc/92/91/04/638929104.db2.gz XIGYTMDCUXJPKY-BXUZGUMPSA-N 1 1 298.308 3.117 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)c1 ZINC000929586033 638932709 /nfs/dbraw/zinc/93/27/09/638932709.db2.gz JGOZQRTZVARMAL-KRWDZBQOSA-N 1 1 291.398 3.408 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCCC3(CCOCC3)C2)CC1 ZINC000929709879 638943932 /nfs/dbraw/zinc/94/39/32/638943932.db2.gz HVXSUISRQRPVST-UHFFFAOYSA-N 1 1 276.424 3.209 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCO[C@@H](c3ccsc3)C2)CC1 ZINC000929829500 638955410 /nfs/dbraw/zinc/95/54/10/638955410.db2.gz ROPPRIYEDQKBGT-ZBCRRDGASA-N 1 1 290.432 3.451 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCO[C@@H](c3cccs3)C2)CC1 ZINC000929834598 638955601 /nfs/dbraw/zinc/95/56/01/638955601.db2.gz NXQPUQZQXRQSDI-YMAMQOFZSA-N 1 1 290.432 3.451 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000930128417 638976921 /nfs/dbraw/zinc/97/69/21/638976921.db2.gz UZEJQMTXZXFTEK-CYBMUJFWSA-N 1 1 264.319 3.262 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCC3(C2)Oc2ccccc2O3)CC1 ZINC000930502944 639012307 /nfs/dbraw/zinc/01/23/07/639012307.db2.gz NOWWHCYZUCHVNZ-UHFFFAOYSA-N 1 1 298.386 3.190 20 30 CGEDMO CS[C@H]1CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000930611202 639037485 /nfs/dbraw/zinc/03/74/85/639037485.db2.gz VARGOKMGEIFMAN-ZDUSSCGKSA-N 1 1 252.427 3.288 20 30 CGEDMO N#CC1(CCCC[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)CCC1 ZINC000930623658 639040651 /nfs/dbraw/zinc/04/06/51/639040651.db2.gz SGOQATUYJFNMIA-GVDBMIGSSA-N 1 1 290.451 3.476 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](N(C)Cc2cc(Cl)cc(C#N)c2)C1 ZINC000930673642 639051759 /nfs/dbraw/zinc/05/17/59/639051759.db2.gz TXRJEFPTTXLURS-INIZCTEOSA-N 1 1 291.826 3.126 20 30 CGEDMO N#CC[C@@H](O)C[N@H+]1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000930698700 639055226 /nfs/dbraw/zinc/05/52/26/639055226.db2.gz UWHJOEKWZWJKBC-IAGOWNOFSA-N 1 1 284.403 3.268 20 30 CGEDMO CC(F)(F)CCC[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000930929207 639088551 /nfs/dbraw/zinc/08/85/51/639088551.db2.gz NAYYUQFFMHWIQT-UHFFFAOYSA-N 1 1 299.390 3.177 20 30 CGEDMO CC[N@@H+](CCc1ccccn1)Cc1ccc(C)c(C#N)c1 ZINC000859173928 639099234 /nfs/dbraw/zinc/09/92/34/639099234.db2.gz JRCLKEZYRKHNQW-UHFFFAOYSA-N 1 1 279.387 3.326 20 30 CGEDMO CC(C)C[N@H+](Cc1ccc(F)c(Cl)c1)C[C@H](O)CC#N ZINC000931166004 639120526 /nfs/dbraw/zinc/12/05/26/639120526.db2.gz WFLFXBAKPGLZGT-CYBMUJFWSA-N 1 1 298.789 3.212 20 30 CGEDMO CC[C@]1(O)CCC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000931475791 639157720 /nfs/dbraw/zinc/15/77/20/639157720.db2.gz MMXOWDFNPVCXRF-INIZCTEOSA-N 1 1 264.413 3.087 20 30 CGEDMO C[N@H+](Cc1ccc2cc[nH]c2c1)[C@@H]1CCC[C@H]1C#N ZINC000931473579 639158131 /nfs/dbraw/zinc/15/81/31/639158131.db2.gz AMVMREOJEYABNY-GOEBONIOSA-N 1 1 253.349 3.292 20 30 CGEDMO C[N@@H+](Cc1ccc2cc[nH]c2c1)[C@@H]1CCC[C@H]1C#N ZINC000931473579 639158133 /nfs/dbraw/zinc/15/81/33/639158133.db2.gz AMVMREOJEYABNY-GOEBONIOSA-N 1 1 253.349 3.292 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000859541643 639158956 /nfs/dbraw/zinc/15/89/56/639158956.db2.gz KEBZGIAYGVWPLP-CABCVRRESA-N 1 1 276.380 3.167 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000859541643 639158959 /nfs/dbraw/zinc/15/89/59/639158959.db2.gz KEBZGIAYGVWPLP-CABCVRRESA-N 1 1 276.380 3.167 20 30 CGEDMO N#Cc1cc(Cl)cc(C[NH+]2CCC(F)CC2)c1 ZINC000931685569 639189085 /nfs/dbraw/zinc/18/90/85/639189085.db2.gz GYIUOOZNRKIPEO-UHFFFAOYSA-N 1 1 252.720 3.146 20 30 CGEDMO C#CCCC[N@@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC000859765668 639209573 /nfs/dbraw/zinc/20/95/73/639209573.db2.gz CBQYKGSMNJWDOE-UHFFFAOYSA-N 1 1 267.294 3.477 20 30 CGEDMO N#CCC[C@H](C#N)C[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859932003 639257994 /nfs/dbraw/zinc/25/79/94/639257994.db2.gz ZQBUBQKEEKFPCU-LAVFITLUSA-N 1 1 279.387 3.165 20 30 CGEDMO Cc1cc(C)n(-c2ccc(C[N@@H+]3CCC[C@@H](C#N)C3)cc2)n1 ZINC000932153832 639278131 /nfs/dbraw/zinc/27/81/31/639278131.db2.gz REGHQPDMZVHTAL-KRWDZBQOSA-N 1 1 294.402 3.225 20 30 CGEDMO Cc1cc(C)n(-c2ccc(C[N@H+]3CCC[C@@H](C#N)C3)cc2)n1 ZINC000932153832 639278138 /nfs/dbraw/zinc/27/81/38/639278138.db2.gz REGHQPDMZVHTAL-KRWDZBQOSA-N 1 1 294.402 3.225 20 30 CGEDMO C=C(Br)C[N@H+]1CCC[C@@H]1COC(C)(C)C ZINC000932162099 639279659 /nfs/dbraw/zinc/27/96/59/639279659.db2.gz BRFHKJWSKUICQA-LLVKDONJSA-N 1 1 276.218 3.175 20 30 CGEDMO C=C(Br)C[N@@H+]1CCC[C@@H]1COC(C)(C)C ZINC000932162099 639279668 /nfs/dbraw/zinc/27/96/68/639279668.db2.gz BRFHKJWSKUICQA-LLVKDONJSA-N 1 1 276.218 3.175 20 30 CGEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCCC2(CC2)CC1 ZINC000860072772 639280043 /nfs/dbraw/zinc/28/00/43/639280043.db2.gz GZWABOUUXMUCRL-INIZCTEOSA-N 1 1 298.386 3.038 20 30 CGEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCCC2(CC2)CC1 ZINC000860072772 639280044 /nfs/dbraw/zinc/28/00/44/639280044.db2.gz GZWABOUUXMUCRL-INIZCTEOSA-N 1 1 298.386 3.038 20 30 CGEDMO C#CC[N@H+](Cc1ccc(Oc2ccccc2)nn1)C(C)C ZINC000932388739 639325287 /nfs/dbraw/zinc/32/52/87/639325287.db2.gz UQDHUULSTWYYCF-UHFFFAOYSA-N 1 1 281.359 3.113 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(Oc2ccccc2)nn1)C(C)C ZINC000932388739 639325297 /nfs/dbraw/zinc/32/52/97/639325297.db2.gz UQDHUULSTWYYCF-UHFFFAOYSA-N 1 1 281.359 3.113 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](C(=O)OC)C[C@H]1C ZINC000933169598 639426338 /nfs/dbraw/zinc/42/63/38/639426338.db2.gz HQNYIJQAFSFGEJ-ZIAGYGMSSA-N 1 1 253.386 3.006 20 30 CGEDMO Cc1conc1C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000933606536 639467874 /nfs/dbraw/zinc/46/78/74/639467874.db2.gz JSGYKPITOIDCCS-UHFFFAOYSA-N 1 1 281.359 3.234 20 30 CGEDMO Cc1ccnc(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)n1 ZINC000933611770 639469323 /nfs/dbraw/zinc/46/93/23/639469323.db2.gz UOXJLIVBIWTPNP-UHFFFAOYSA-N 1 1 292.386 3.036 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCCSC[C@@H]2C2CC2)ccc1F ZINC000933915010 639506447 /nfs/dbraw/zinc/50/64/47/639506447.db2.gz FQHMOVHYVOMOOU-MRXNPFEDSA-N 1 1 290.407 3.415 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCCSC[C@@H]1C1CC1 ZINC000933917892 639508110 /nfs/dbraw/zinc/50/81/10/639508110.db2.gz NYZVRHBZZUUIMN-MRXNPFEDSA-N 1 1 272.417 3.276 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000934334187 639587040 /nfs/dbraw/zinc/58/70/40/639587040.db2.gz SUKDOELCJZALLX-INIZCTEOSA-N 1 1 282.412 3.059 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1CC(=O)Nc1sc(C)c(C)c1C ZINC000934468690 639613600 /nfs/dbraw/zinc/61/36/00/639613600.db2.gz GWWPQGXDSQNQBX-CYBMUJFWSA-N 1 1 278.421 3.262 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1CC(=O)Nc1sc(C)c(C)c1C ZINC000934468690 639613603 /nfs/dbraw/zinc/61/36/03/639613603.db2.gz GWWPQGXDSQNQBX-CYBMUJFWSA-N 1 1 278.421 3.262 20 30 CGEDMO C=CCCC[N@@H+](CC)Cc1nc(C(=O)OCC)cs1 ZINC000934642367 639648871 /nfs/dbraw/zinc/64/88/71/639648871.db2.gz MLKAZEAQVKARSJ-UHFFFAOYSA-N 1 1 282.409 3.108 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1nc(C(=O)OCC)cs1 ZINC000934642367 639648878 /nfs/dbraw/zinc/64/88/78/639648878.db2.gz MLKAZEAQVKARSJ-UHFFFAOYSA-N 1 1 282.409 3.108 20 30 CGEDMO C=CCCC[N@H+](CC)CCSc1ccncc1 ZINC000934647427 639648943 /nfs/dbraw/zinc/64/89/43/639648943.db2.gz OODOKVJRXLMDFN-UHFFFAOYSA-N 1 1 250.411 3.462 20 30 CGEDMO CC1(C)C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)[C@@H]2CCC[C@@H]21 ZINC000934762219 639672259 /nfs/dbraw/zinc/67/22/59/639672259.db2.gz ICRCETUMSVIOCB-GVDBMIGSSA-N 1 1 284.403 3.102 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000934886052 639703239 /nfs/dbraw/zinc/70/32/39/639703239.db2.gz CINXXWQTOJBLCG-DYVFJYSZSA-N 1 1 299.418 3.324 20 30 CGEDMO C#CC[N@H+](CCC(=O)Nc1ccc(F)cc1)C1CCCC1 ZINC000155900181 639956471 /nfs/dbraw/zinc/95/64/71/639956471.db2.gz GEGKUFAKHFABKH-UHFFFAOYSA-N 1 1 288.366 3.032 20 30 CGEDMO CCCCC(N)=[NH+]OCc1csc([C@@H](C)OCC)n1 ZINC000076696516 640209539 /nfs/dbraw/zinc/20/95/39/640209539.db2.gz VBCKYWDOHYPOHK-SNVBAGLBSA-N 1 1 285.413 3.220 20 30 CGEDMO C[C@@H]1CC[N@@H+](CCCOc2ccc(C#N)cc2)CCS1 ZINC000192169537 640353971 /nfs/dbraw/zinc/35/39/71/640353971.db2.gz RAPMBLVEVLVVHD-CQSZACIVSA-N 1 1 290.432 3.155 20 30 CGEDMO C#CC[N@H+](C)[C@H](C)c1ccc(Br)cc1 ZINC000194971580 640561531 /nfs/dbraw/zinc/56/15/31/640561531.db2.gz ARTICCVQSMSFKC-SNVBAGLBSA-N 1 1 252.155 3.075 20 30 CGEDMO CC[N@@H+](Cc1ccc(N(C)CCC#N)cc1)C[C@H](C)C#N ZINC000245539874 640624515 /nfs/dbraw/zinc/62/45/15/640624515.db2.gz LQYQGNNSMJYDOD-OAHLLOKOSA-N 1 1 284.407 3.018 20 30 CGEDMO CC[N@H+](Cc1ccc(N(C)CCC#N)cc1)C[C@H](C)C#N ZINC000245539874 640624518 /nfs/dbraw/zinc/62/45/18/640624518.db2.gz LQYQGNNSMJYDOD-OAHLLOKOSA-N 1 1 284.407 3.018 20 30 CGEDMO CC[C@@H](C)C[N@@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000245549958 640626595 /nfs/dbraw/zinc/62/65/95/640626595.db2.gz ZULUKXUBBZHJAH-ZIAGYGMSSA-N 1 1 260.381 3.455 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C)C2)cc1 ZINC000245786980 640637938 /nfs/dbraw/zinc/63/79/38/640637938.db2.gz VJSUHSSSAHLLJL-SOUVJXGZSA-N 1 1 272.392 3.455 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C2=CCCCCC2)C1 ZINC001007192148 640675502 /nfs/dbraw/zinc/67/55/02/640675502.db2.gz BZRHMLNVCXJHLG-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CCn1c(C)nn(C[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)c1=S ZINC000248741120 640778593 /nfs/dbraw/zinc/77/85/93/640778593.db2.gz ATXBCSBFFPZITG-TZMCWYRMSA-N 1 1 294.468 3.377 20 30 CGEDMO C=CCn1c(C)nn(C[N@H+](C)[C@@H]2CCC[C@@H](C)C2)c1=S ZINC000248741120 640778595 /nfs/dbraw/zinc/77/85/95/640778595.db2.gz ATXBCSBFFPZITG-TZMCWYRMSA-N 1 1 294.468 3.377 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2csc(C)c2C)C1 ZINC001007416074 640941672 /nfs/dbraw/zinc/94/16/72/640941672.db2.gz WGYBMJRJOCVUSV-CQSZACIVSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2sc(C)cc2C)C1 ZINC001007438922 640942266 /nfs/dbraw/zinc/94/22/66/640942266.db2.gz XFPHLVSWXMAWPM-AWEZNQCLSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(CCC)s2)C1 ZINC001007430813 640942651 /nfs/dbraw/zinc/94/26/51/640942651.db2.gz BNWRTIOXJNCIOV-CYBMUJFWSA-N 1 1 292.448 3.081 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CCC)s2)C1 ZINC001007430813 640942655 /nfs/dbraw/zinc/94/26/55/640942655.db2.gz BNWRTIOXJNCIOV-CYBMUJFWSA-N 1 1 292.448 3.081 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)cc(Cl)c2)C1 ZINC001007944289 640945692 /nfs/dbraw/zinc/94/56/92/640945692.db2.gz RAFOXBOABHZKHM-HNNXBMFYSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CC=CCC2)C1 ZINC001008205112 640948547 /nfs/dbraw/zinc/94/85/47/640948547.db2.gz WWLZOUQTJSQLQA-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C2CCC(F)CC2)C1 ZINC001008429723 640950556 /nfs/dbraw/zinc/95/05/56/640950556.db2.gz RGBHMXKEMSQUQF-GPANFISMSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCC3CC3)C2)CC1 ZINC001008420022 640950951 /nfs/dbraw/zinc/95/09/51/640950951.db2.gz TWOMPOALSFRVEI-QGZVFWFLSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccc(C)cc2C)C1 ZINC001009396332 640958683 /nfs/dbraw/zinc/95/86/83/640958683.db2.gz QZYCTXFTMKHTSE-INIZCTEOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C(C)C)C1 ZINC001014650222 640975457 /nfs/dbraw/zinc/97/54/57/640975457.db2.gz VGLDPBCEAQIANL-OAHLLOKOSA-N 1 1 286.419 3.190 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC)C1 ZINC001015624366 640982647 /nfs/dbraw/zinc/98/26/47/640982647.db2.gz ICBWZJCTVKCAHY-INIZCTEOSA-N 1 1 286.419 3.019 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc(C)cc2Cl)C1 ZINC001015741118 640986009 /nfs/dbraw/zinc/98/60/09/640986009.db2.gz FVFYNVUESGREMO-ZDUSSCGKSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(F)F)cc2)C1 ZINC001015862438 640986854 /nfs/dbraw/zinc/98/68/54/640986854.db2.gz ZQBDREBIFJZMGF-CQSZACIVSA-N 1 1 294.345 3.004 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC001016086688 640991237 /nfs/dbraw/zinc/99/12/37/640991237.db2.gz VIMSTMVQNZFEQC-SFHVURJKSA-N 1 1 294.398 3.220 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)C23CCC(CC2)CC3)C1 ZINC001016313075 640994437 /nfs/dbraw/zinc/99/44/37/640994437.db2.gz FSLHMOZONGHFOU-PQUAAJSLSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc3cc(C)ccc3o2)C1 ZINC001016338191 640995557 /nfs/dbraw/zinc/99/55/57/640995557.db2.gz XIMJCPDJAMSTAT-HNNXBMFYSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@H](C[N@@H+](C)C(C)C)C1 ZINC001017202480 641009840 /nfs/dbraw/zinc/00/98/40/641009840.db2.gz YFPBLEMYTUMREG-NVXWUHKLSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)CCC[C@@H]1CC ZINC001017663698 641015287 /nfs/dbraw/zinc/01/52/87/641015287.db2.gz WQDSLLLQIXWQIF-LISAXSMJSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@]1(C)CCC[C@@H]1CC ZINC001017663698 641015292 /nfs/dbraw/zinc/01/52/92/641015292.db2.gz WQDSLLLQIXWQIF-LISAXSMJSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(=C)C ZINC001017794958 641016387 /nfs/dbraw/zinc/01/63/87/641016387.db2.gz QJAZCEBSXCRVSA-IYBDPMFKSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C1CCCC1 ZINC001018166550 641020604 /nfs/dbraw/zinc/02/06/04/641020604.db2.gz USTGNXDXDMICCL-BHYGNILZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C1CCCC1 ZINC001018166550 641020610 /nfs/dbraw/zinc/02/06/10/641020610.db2.gz USTGNXDXDMICCL-BHYGNILZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC(C)(C)C(=O)N(C)CC[N@H+](C)CCCC(C)C ZINC001568493902 961589080 /nfs/dbraw/zinc/58/90/80/961589080.db2.gz JTRINPUCTMWJGH-UHFFFAOYSA-N 1 1 268.445 3.025 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(C=C)cc1 ZINC001155412637 805580910 /nfs/dbraw/zinc/58/09/10/805580910.db2.gz LMYWOMKYTLNPRW-OAHLLOKOSA-N 1 1 286.419 3.346 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)CCCCC ZINC001155653705 805599671 /nfs/dbraw/zinc/59/96/71/805599671.db2.gz BYLMVQZKYNKWHJ-HZPDHXFCSA-N 1 1 280.456 3.053 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1cc(Cl)ccc1C ZINC001155895703 805623481 /nfs/dbraw/zinc/62/34/81/805623481.db2.gz SMUKHKUCTWLZAF-CYBMUJFWSA-N 1 1 294.826 3.275 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)CC[C@@H](C)CC ZINC001155958402 805630075 /nfs/dbraw/zinc/63/00/75/805630075.db2.gz SLSGYXWEXJXLSE-LSDHHAIUSA-N 1 1 268.445 3.215 20 30 CGEDMO C[N@H+]1CCC[C@H](CCNc2cc(C#N)c3ccccc3n2)C1 ZINC001156387351 805683141 /nfs/dbraw/zinc/68/31/41/805683141.db2.gz DNIQRNGRUDHCDT-CQSZACIVSA-N 1 1 294.402 3.250 20 30 CGEDMO C[C@H](Nc1[nH+]ccc2[nH]cc(C#N)c21)c1ccc(F)cn1 ZINC001156679343 805724844 /nfs/dbraw/zinc/72/48/44/805724844.db2.gz SXCHZLJUAUXJLK-VIFPVBQESA-N 1 1 281.294 3.142 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)C1CCC=CCC1 ZINC001156948898 805758410 /nfs/dbraw/zinc/75/84/10/805758410.db2.gz DBZJMFAUHJLKRE-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)c1ccccc1C ZINC001157047478 805768096 /nfs/dbraw/zinc/76/80/96/805768096.db2.gz SZOXYSYKDWRDRJ-CVEARBPZSA-N 1 1 288.435 3.111 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](CCC)CC(C)C ZINC001157190289 805788175 /nfs/dbraw/zinc/78/81/75/805788175.db2.gz ISNZQTXOBKHGCC-HZPDHXFCSA-N 1 1 282.472 3.461 20 30 CGEDMO CC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@H](C)CCC ZINC001157674564 805849861 /nfs/dbraw/zinc/84/98/61/805849861.db2.gz HKJCJWAQXPMKJF-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H](C)CCC ZINC001157702469 805854728 /nfs/dbraw/zinc/85/47/28/805854728.db2.gz UCZQIEATUFKUSZ-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)/C=C\C1CC1 ZINC001157761812 805863934 /nfs/dbraw/zinc/86/39/34/805863934.db2.gz CVDHQLQQSIRYRZ-WFTPILKQSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)/C(C)=C/C ZINC001157784034 805869583 /nfs/dbraw/zinc/86/95/83/805869583.db2.gz IJJSILJELRSGHG-KNDGBBJPSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)C(C)=C1CCCC1 ZINC001157791581 805872455 /nfs/dbraw/zinc/87/24/55/805872455.db2.gz QRAWNPVQLOIUCD-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC(C)(C)C1CC1 ZINC001157908114 805902385 /nfs/dbraw/zinc/90/23/85/805902385.db2.gz LAEIXJGVNLJLOC-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO Cc1ccc(CC#N)c(NCCCCc2ccccn2)[nH+]1 ZINC001157975392 805909748 /nfs/dbraw/zinc/90/97/48/805909748.db2.gz NXTQYIYKMJBGQZ-UHFFFAOYSA-N 1 1 280.375 3.286 20 30 CGEDMO CC#CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)CCCC ZINC001158357441 805945004 /nfs/dbraw/zinc/94/50/04/805945004.db2.gz HSQOXXGKYBCFQA-QGZVFWFLSA-N 1 1 292.467 3.293 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)CC(=C)C ZINC001158369057 805946303 /nfs/dbraw/zinc/94/63/03/805946303.db2.gz AXTNMNKBHKKLNO-IAGOWNOFSA-N 1 1 292.467 3.478 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CC[C@@H](COC)C1 ZINC001252123593 806010823 /nfs/dbraw/zinc/01/08/23/806010823.db2.gz JTBHYTYPBYXLHR-HZPDHXFCSA-N 1 1 271.445 3.066 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCCC(=O)CC1 ZINC001252126759 806013387 /nfs/dbraw/zinc/01/33/87/806013387.db2.gz SKCAHVQJBFNPOQ-INIZCTEOSA-N 1 1 269.429 3.153 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001252130597 806014710 /nfs/dbraw/zinc/01/47/10/806014710.db2.gz UPEBJKXWTKCTJW-IXDOHACOSA-N 1 1 283.456 3.209 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001252130648 806015081 /nfs/dbraw/zinc/01/50/81/806015081.db2.gz VQPNYODRZICXRD-IAGOWNOFSA-N 1 1 283.456 3.353 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC001252132337 806017883 /nfs/dbraw/zinc/01/78/83/806017883.db2.gz GEXHDKKAMKKWDQ-ARFHVFGLSA-N 1 1 271.445 3.207 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC001252130847 806018521 /nfs/dbraw/zinc/01/85/21/806018521.db2.gz ZEKZBXRNLMACLA-BBWFWOEESA-N 1 1 284.488 3.122 20 30 CGEDMO CCCCCCCC[C@H](O)C[NH2+][C@H]1CCCN(C)CC1 ZINC001252135667 806022574 /nfs/dbraw/zinc/02/25/74/806022574.db2.gz HIVWNMYBGSCBKS-IRXDYDNUSA-N 1 1 284.488 3.172 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+]1CCc2ccc(C(F)(F)F)cc2C1 ZINC001252554875 806063561 /nfs/dbraw/zinc/06/35/61/806063561.db2.gz MLNLRWZDYQQNKP-CQSZACIVSA-N 1 1 285.309 3.001 20 30 CGEDMO C=C[C@](C)(O)C[N@@H+]1CCC[C@H]1c1cc(C)cc(C)c1 ZINC001252558181 806063689 /nfs/dbraw/zinc/06/36/89/806063689.db2.gz REYQKPDFRPOGOI-IRXDYDNUSA-N 1 1 259.393 3.377 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+](C)C1CCC(C(C)(C)C)CC1 ZINC001252556380 806063848 /nfs/dbraw/zinc/06/38/48/806063848.db2.gz BWCSUEKSMNOCRI-ZBCRRDGASA-N 1 1 253.430 3.460 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+]1CCC[C@H](CCc2ccccc2)C1 ZINC001252558722 806065208 /nfs/dbraw/zinc/06/52/08/806065208.db2.gz YZRLJWHXIZQTOD-QZTJIDSGSA-N 1 1 273.420 3.268 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC001252560163 806066459 /nfs/dbraw/zinc/06/64/59/806066459.db2.gz OLRCAPQTEGEXSD-DOTOQJQBSA-N 1 1 285.391 3.027 20 30 CGEDMO C=C[C@](C)(O)CNc1ccc([NH+]2CCCCC2)cc1C ZINC001252566930 806069747 /nfs/dbraw/zinc/06/97/47/806069747.db2.gz OYGBNFISDMMCDQ-KRWDZBQOSA-N 1 1 274.408 3.334 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@H](Oc2ccc(C)cc2)C1 ZINC001252599524 806080396 /nfs/dbraw/zinc/08/03/96/806080396.db2.gz BDLFUKHYLVJSMO-WMZOPIPTSA-N 1 1 289.419 3.165 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1c1c(F)cccc1F ZINC001252601962 806080914 /nfs/dbraw/zinc/08/09/14/806080914.db2.gz HQVALPMNXKPEMD-IUODEOHRSA-N 1 1 281.346 3.429 20 30 CGEDMO CCCCCCC[N@@H+](C)C[C@H](O)COCc1ccco1 ZINC001252637332 806097255 /nfs/dbraw/zinc/09/72/55/806097255.db2.gz DSSJPNJXCKUDOI-HNNXBMFYSA-N 1 1 283.412 3.059 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)C[C@@H](C)CCC)CC1 ZINC001159500053 806113979 /nfs/dbraw/zinc/11/39/79/806113979.db2.gz SSIUCFFXRPMGCW-HNNXBMFYSA-N 1 1 278.440 3.137 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[N@@H+](C)CC1COC1 ZINC001252986364 806148149 /nfs/dbraw/zinc/14/81/49/806148149.db2.gz UYRJGGPLTOWJOF-QGZVFWFLSA-N 1 1 285.472 3.456 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+](C)Cc1ccncc1 ZINC001253233637 806187400 /nfs/dbraw/zinc/18/74/00/806187400.db2.gz JULOJQQTPSXPIC-KRWDZBQOSA-N 1 1 276.424 3.401 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CC[C@@H](N(C)C2CC2)C1 ZINC001253242830 806192873 /nfs/dbraw/zinc/19/28/73/806192873.db2.gz OVGORTYKTDKZPI-MSOLQXFVSA-N 1 1 294.483 3.042 20 30 CGEDMO C=CCCCCCC[C@H](O)CN1CC[C@@H]([N@H+](C)C2CC2)C1 ZINC001253242830 806192879 /nfs/dbraw/zinc/19/28/79/806192879.db2.gz OVGORTYKTDKZPI-MSOLQXFVSA-N 1 1 294.483 3.042 20 30 CGEDMO C=CCCCCCC[C@H](O)CN1CC[C@@H]([N@@H+](C)C2CC2)C1 ZINC001253242830 806192886 /nfs/dbraw/zinc/19/28/86/806192886.db2.gz OVGORTYKTDKZPI-MSOLQXFVSA-N 1 1 294.483 3.042 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NCCC1=CC[N@@H+](CCCF)CC1 ZINC001160992767 806334010 /nfs/dbraw/zinc/33/40/10/806334010.db2.gz ZXEDDAFEIBPTRX-HNNXBMFYSA-N 1 1 296.430 3.087 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)C2CCC(=C)CC2)CC1 ZINC001161121519 806350074 /nfs/dbraw/zinc/35/00/74/806350074.db2.gz LNLDJQWDAUDQEP-UHFFFAOYSA-N 1 1 288.435 3.057 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)C2(CC=C)CCC2)CC1 ZINC001161126013 806352937 /nfs/dbraw/zinc/35/29/37/806352937.db2.gz LTGJXILXJNGFAI-UHFFFAOYSA-N 1 1 288.435 3.057 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC001161155528 806353787 /nfs/dbraw/zinc/35/37/87/806353787.db2.gz OHHCHHBGJUAUGF-INIZCTEOSA-N 1 1 290.451 3.137 20 30 CGEDMO CC[N@H+](CCC#N)[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC001254200836 806362775 /nfs/dbraw/zinc/36/27/75/806362775.db2.gz AKGJLOIEDZCHFE-CQSZACIVSA-N 1 1 295.427 3.012 20 30 CGEDMO CC[N@@H+](CCC#N)[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC001254200836 806362784 /nfs/dbraw/zinc/36/27/84/806362784.db2.gz AKGJLOIEDZCHFE-CQSZACIVSA-N 1 1 295.427 3.012 20 30 CGEDMO CC[C@@H](Nc1[nH+]ccc2[nH]cc(C#N)c21)C(F)(F)F ZINC001161375669 806370915 /nfs/dbraw/zinc/37/09/15/806370915.db2.gz UKGUMUWZPYZMAL-SECBINFHSA-N 1 1 268.242 3.187 20 30 CGEDMO N#C[C@H]1CC[C@@H]([NH2+]Cc2nccc(Cl)c2Cl)C1 ZINC001254648263 806472664 /nfs/dbraw/zinc/47/26/64/806472664.db2.gz GZZFMTYONOCUPI-DTWKUNHWSA-N 1 1 270.163 3.170 20 30 CGEDMO CC(C)c1noc([C@@H]2CCC[N@H+]([C@@H]3CC[C@H](C#N)C3)C2)n1 ZINC001254670716 806481321 /nfs/dbraw/zinc/48/13/21/806481321.db2.gz LNUAAXBZZYDYQT-BFHYXJOUSA-N 1 1 288.395 3.065 20 30 CGEDMO COc1ccc([C@H](C)[N@@H+](C)[C@H]2CC[C@@H](C#N)C2)cc1 ZINC001254670740 806481684 /nfs/dbraw/zinc/48/16/84/806481684.db2.gz MGISHMQALCGTSU-GUTXKFCHSA-N 1 1 258.365 3.380 20 30 CGEDMO C[N@@H+](CC/C=C/c1cccnc1)[C@@H]1CC[C@@H](C#N)C1 ZINC001254674408 806483103 /nfs/dbraw/zinc/48/31/03/806483103.db2.gz YPFQXTJKJVXQQO-IMXYCLITSA-N 1 1 255.365 3.109 20 30 CGEDMO C[N@H+](Cc1cccc(F)c1F)[C@H]1CC[C@@H](C#N)C1 ZINC001254673068 806483472 /nfs/dbraw/zinc/48/34/72/806483472.db2.gz GQYZATHPASKJPV-PWSUYJOCSA-N 1 1 250.292 3.089 20 30 CGEDMO C[N@@H+](Cc1cccc(F)c1F)[C@H]1CC[C@@H](C#N)C1 ZINC001254673068 806483475 /nfs/dbraw/zinc/48/34/75/806483475.db2.gz GQYZATHPASKJPV-PWSUYJOCSA-N 1 1 250.292 3.089 20 30 CGEDMO CC[C@H]1CN(Cc2ccccc2)CC[N@H+]1[C@H]1CC[C@H](C#N)C1 ZINC001254674642 806483502 /nfs/dbraw/zinc/48/35/02/806483502.db2.gz BEPAQQIZMXFDOI-FHWLQOOXSA-N 1 1 297.446 3.275 20 30 CGEDMO CC[C@H]1C[N@H+](Cc2ccccc2)CCN1[C@H]1CC[C@H](C#N)C1 ZINC001254674642 806483504 /nfs/dbraw/zinc/48/35/04/806483504.db2.gz BEPAQQIZMXFDOI-FHWLQOOXSA-N 1 1 297.446 3.275 20 30 CGEDMO CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1[C@H]1CC[C@H](C#N)C1 ZINC001254674642 806483508 /nfs/dbraw/zinc/48/35/08/806483508.db2.gz BEPAQQIZMXFDOI-FHWLQOOXSA-N 1 1 297.446 3.275 20 30 CGEDMO N#CCC1(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC001255109259 806544823 /nfs/dbraw/zinc/54/48/23/806544823.db2.gz PNOVHDBAODSQEC-QGZVFWFLSA-N 1 1 283.419 3.077 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1c1ccc(NCc2ncon2)cc1 ZINC001162287494 806549464 /nfs/dbraw/zinc/54/94/64/806549464.db2.gz VWRLUDFGLNSANG-HNNXBMFYSA-N 1 1 284.363 3.005 20 30 CGEDMO C=CCN(C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC001255144069 806553304 /nfs/dbraw/zinc/55/33/04/806553304.db2.gz LIVJHALVEHLNPG-BCDXTJNWSA-N 1 1 270.420 3.300 20 30 CGEDMO C=CCN(C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255144069 806553306 /nfs/dbraw/zinc/55/33/06/806553306.db2.gz LIVJHALVEHLNPG-BCDXTJNWSA-N 1 1 270.420 3.300 20 30 CGEDMO C=CC[N@@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001255144069 806553308 /nfs/dbraw/zinc/55/33/08/806553308.db2.gz LIVJHALVEHLNPG-BCDXTJNWSA-N 1 1 270.420 3.300 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC001255144069 806553310 /nfs/dbraw/zinc/55/33/10/806553310.db2.gz LIVJHALVEHLNPG-BCDXTJNWSA-N 1 1 270.420 3.300 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1cc(Cl)c2cccnc2c1O ZINC001255156383 806556172 /nfs/dbraw/zinc/55/61/72/806556172.db2.gz OHDVIXRGKPCUNP-LLVKDONJSA-N 1 1 289.766 3.376 20 30 CGEDMO CC[C@H](CC#N)[NH2+][C@H]1CCCc2ccc(C(=O)OC)cc21 ZINC001255162196 806561655 /nfs/dbraw/zinc/56/16/55/806561655.db2.gz JRNHHSFJZAOZCS-ZBFHGGJFSA-N 1 1 286.375 3.132 20 30 CGEDMO CC[C@@H](CC#N)N1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001255166723 806564592 /nfs/dbraw/zinc/56/45/92/806564592.db2.gz PLOGMUDIGPLUHG-QYZOEREBSA-N 1 1 297.446 3.275 20 30 CGEDMO CC[C@H](CC#N)[N@H+]1C[C@H]2CCC[C@@]2(COc2cccnc2)C1 ZINC001255169841 806564832 /nfs/dbraw/zinc/56/48/32/806564832.db2.gz KLUMULJDOLQSQO-NUJGCVRESA-N 1 1 299.418 3.255 20 30 CGEDMO CCOC(=O)CC[N@H+](Cc1ccccc1)[C@H](CC)CC#N ZINC001255166741 806565577 /nfs/dbraw/zinc/56/55/77/806565577.db2.gz PWIDVVZWTZXUIU-MRXNPFEDSA-N 1 1 288.391 3.134 20 30 CGEDMO CCOC(=O)CC[N@@H+](Cc1ccccc1)[C@H](CC)CC#N ZINC001255166741 806565583 /nfs/dbraw/zinc/56/55/83/806565583.db2.gz PWIDVVZWTZXUIU-MRXNPFEDSA-N 1 1 288.391 3.134 20 30 CGEDMO CC[C@@H](CC#N)[NH+]1CCC(OC)(c2ccccc2)CC1 ZINC001255175590 806568088 /nfs/dbraw/zinc/56/80/88/806568088.db2.gz RPWXZVZRSKRMHP-INIZCTEOSA-N 1 1 272.392 3.316 20 30 CGEDMO CCCC[C@H](C)[NH+]1CC(Oc2ccccc2C#N)C1 ZINC001255332491 806618622 /nfs/dbraw/zinc/61/86/22/806618622.db2.gz AJXMFGWFFIENDS-ZDUSSCGKSA-N 1 1 258.365 3.200 20 30 CGEDMO C=CC[N@H+]([C@@H]1CCC[C@@H](C(=O)OCC)C1)C(C)(C)C ZINC001255377921 806628655 /nfs/dbraw/zinc/62/86/55/806628655.db2.gz HZFJQDACOREUCH-ZIAGYGMSSA-N 1 1 267.413 3.395 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000077012304 798926275 /nfs/dbraw/zinc/92/62/75/798926275.db2.gz GCNDMNUUTNMHHG-GASCZTMLSA-N 1 1 257.377 3.177 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000093506038 798966049 /nfs/dbraw/zinc/96/60/49/798966049.db2.gz AROGZUVBXUPPDN-SJLPKXTDSA-N 1 1 287.403 3.252 20 30 CGEDMO COc1ccc([C@@H](C)[NH2+]CC(C)(C)C#N)cc1F ZINC000122319576 798990777 /nfs/dbraw/zinc/99/07/77/798990777.db2.gz LRLTWEUAYTZOFL-SNVBAGLBSA-N 1 1 250.317 3.035 20 30 CGEDMO C=CC[C@@](C)([NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1)C(=O)OC ZINC001255707503 806712957 /nfs/dbraw/zinc/71/29/57/806712957.db2.gz GMLZTEYLVMLMJL-DMDPSCGWSA-N 1 1 293.329 3.205 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000157684765 799069881 /nfs/dbraw/zinc/06/98/81/799069881.db2.gz IELXCZUSFXXPRT-KBPBESRZSA-N 1 1 258.365 3.209 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H](C)c1cnn(-c2ccccc2)c1 ZINC000163368966 799082019 /nfs/dbraw/zinc/08/20/19/799082019.db2.gz BHCLAYAUEXPRHT-LBPRGKRZSA-N 1 1 261.756 3.275 20 30 CGEDMO COc1ccc(C[NH2+]CCC#N)cc1OCc1ccccc1 ZINC000345314761 799295422 /nfs/dbraw/zinc/29/54/22/799295422.db2.gz YZNPQFYJFBWRRW-UHFFFAOYSA-N 1 1 296.370 3.277 20 30 CGEDMO C=C(Br)C[NH2+]Cc1cc(C)nc(Cl)c1 ZINC000379656335 799351575 /nfs/dbraw/zinc/35/15/75/799351575.db2.gz LAVJYHMNUPXHHC-UHFFFAOYSA-N 1 1 275.577 3.042 20 30 CGEDMO Cc1cc(C#N)c(N[C@H]2CC[N@H+](C(C)C)C[C@H]2C)nc1C ZINC001163361621 806745751 /nfs/dbraw/zinc/74/57/51/806745751.db2.gz JRXVXUJHDCRNGT-CJNGLKHVSA-N 1 1 286.423 3.101 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+]Cc1ccc(Br)cc1C#N ZINC000384134576 799411862 /nfs/dbraw/zinc/41/18/62/799411862.db2.gz DEDHDPNQDYAQRM-AWEZNQCLSA-N 1 1 291.192 3.212 20 30 CGEDMO C#CC[N@H+](CC)Cc1cc(Cl)cc(Cl)c1N ZINC000384706410 799419132 /nfs/dbraw/zinc/41/91/32/799419132.db2.gz WDYXNKUYXSKTRW-UHFFFAOYSA-N 1 1 257.164 3.031 20 30 CGEDMO CCCCCCC[C@H](C)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000385897585 799429401 /nfs/dbraw/zinc/42/94/01/799429401.db2.gz FLDNRGXBRVPKIG-XHSDSOJGSA-N 1 1 252.446 3.277 20 30 CGEDMO C[N@H+]1CC[C@@H](c2ccc(NC3=CC(=O)CCC3)cc2)C1 ZINC001163468339 806767860 /nfs/dbraw/zinc/76/78/60/806767860.db2.gz PCTALPJAWVEVJI-CQSZACIVSA-N 1 1 270.376 3.155 20 30 CGEDMO Cc1cc(N2CCC[C@@H](C#N)C2)c2ccccc2[nH+]1 ZINC000693960642 799817579 /nfs/dbraw/zinc/81/75/79/799817579.db2.gz COICXRRLFSWUGS-ZDUSSCGKSA-N 1 1 251.333 3.283 20 30 CGEDMO C[C@]12CN(CCCC#N)C[C@@]1(C)C[N@@H+](Cc1ccccc1)C2 ZINC000705687967 799952728 /nfs/dbraw/zinc/95/27/28/799952728.db2.gz SKKHBHZOLUQQKQ-KDURUIRLSA-N 1 1 297.446 3.134 20 30 CGEDMO C[C@]12CN(Cc3ccccc3)C[C@@]1(C)C[N@H+](CCCC#N)C2 ZINC000705687967 799952735 /nfs/dbraw/zinc/95/27/35/799952735.db2.gz SKKHBHZOLUQQKQ-KDURUIRLSA-N 1 1 297.446 3.134 20 30 CGEDMO C[C@]12CN(Cc3ccccc3)C[C@@]1(C)C[N@@H+](CCCC#N)C2 ZINC000705687967 799952741 /nfs/dbraw/zinc/95/27/41/799952741.db2.gz SKKHBHZOLUQQKQ-KDURUIRLSA-N 1 1 297.446 3.134 20 30 CGEDMO C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000708719148 799993640 /nfs/dbraw/zinc/99/36/40/799993640.db2.gz JLNPOTKKBLZSEX-CYBMUJFWSA-N 1 1 268.282 3.333 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+]Cc1nc(C)c(Br)s1 ZINC000719214405 800232681 /nfs/dbraw/zinc/23/26/81/800232681.db2.gz CPNBDMYNBPMPSS-NSHDSACASA-N 1 1 287.226 3.106 20 30 CGEDMO C[C@H](COCc1ccccc1)C[N@H+]1CCC[C@H](C#N)C1 ZINC000719590735 800244193 /nfs/dbraw/zinc/24/41/93/800244193.db2.gz FBXKXAKUCHHIKW-DOTOQJQBSA-N 1 1 272.392 3.075 20 30 CGEDMO C[C@@H](COCc1ccccc1)C[N@H+]1CCC[C@H](C#N)C1 ZINC000719590738 800244493 /nfs/dbraw/zinc/24/44/93/800244493.db2.gz FBXKXAKUCHHIKW-NVXWUHKLSA-N 1 1 272.392 3.075 20 30 CGEDMO C#Cc1ccc(C[N@@H+](Cc2ccccn2)C(C)C)cc1 ZINC000809550951 800445369 /nfs/dbraw/zinc/44/53/69/800445369.db2.gz PANLGXCBGSWMCJ-UHFFFAOYSA-N 1 1 264.372 3.474 20 30 CGEDMO CCCCCCCC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000837184356 800490554 /nfs/dbraw/zinc/49/05/54/800490554.db2.gz HCLDBLYUDGVXRV-HNNXBMFYSA-N 1 1 268.445 3.288 20 30 CGEDMO C#CC[N@H+](Cc1ccc(-c2ncco2)cc1F)C(C)C ZINC000932386876 800664291 /nfs/dbraw/zinc/66/42/91/800664291.db2.gz CFJFOUWWFFQNNR-UHFFFAOYSA-N 1 1 272.323 3.324 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(-c2ncco2)cc1F)C(C)C ZINC000932386876 800664293 /nfs/dbraw/zinc/66/42/93/800664293.db2.gz CFJFOUWWFFQNNR-UHFFFAOYSA-N 1 1 272.323 3.324 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@H]1CCC(C)(C)CO1 ZINC000933770828 800675729 /nfs/dbraw/zinc/67/57/29/800675729.db2.gz TWQZUIZFQKECAH-CYBMUJFWSA-N 1 1 278.421 3.257 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1cnn(Cc2ccccc2)c1 ZINC000934459828 800678282 /nfs/dbraw/zinc/67/82/82/800678282.db2.gz HFBUDOITNVPOST-QGZVFWFLSA-N 1 1 267.376 3.082 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001023379675 800710296 /nfs/dbraw/zinc/71/02/96/800710296.db2.gz MHUPTPRUBIRUEQ-HRCADAONSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)C1=CCCCCC1 ZINC001024411532 800728663 /nfs/dbraw/zinc/72/86/63/800728663.db2.gz RGXZLMYEOWDUBQ-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001024662243 800733008 /nfs/dbraw/zinc/73/30/08/800733008.db2.gz UVJUORNJYWPGNC-BRWVUGGUSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C1CCC(F)CC1 ZINC001024638038 800734276 /nfs/dbraw/zinc/73/42/76/800734276.db2.gz RHFMGKCSAVYHBZ-UYSNPLJNSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC12CCCC2 ZINC001024744606 800735724 /nfs/dbraw/zinc/73/57/24/800735724.db2.gz AIVZRXIOPKFWDE-CVEARBPZSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC(C)(C)C1 ZINC001024818939 800738108 /nfs/dbraw/zinc/73/81/08/800738108.db2.gz IHWCGASVOGFPHI-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC1CC1 ZINC001025190618 800746878 /nfs/dbraw/zinc/74/68/78/800746878.db2.gz YPLAVUMXMJDOJG-DLBZAZTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C(C)(C)C ZINC001025294021 800753444 /nfs/dbraw/zinc/75/34/44/800753444.db2.gz WFCQMTVZRDMHEU-JKSUJKDBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CCCCC2)C1 ZINC001025320375 800755168 /nfs/dbraw/zinc/75/51/68/800755168.db2.gz LMKFRBRVVCNTEX-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccs2)C1 ZINC001025329002 800756081 /nfs/dbraw/zinc/75/60/81/800756081.db2.gz MLSADSLYJUYBBH-KBPBESRZSA-N 1 1 292.448 3.155 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cccc(C)c2)C1 ZINC001025330119 800756293 /nfs/dbraw/zinc/75/62/93/800756293.db2.gz VHNLJSZYPVORTR-NVXWUHKLSA-N 1 1 286.419 3.011 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccsc2)C1 ZINC001025336180 800756351 /nfs/dbraw/zinc/75/63/51/800756351.db2.gz GVQXSPUDBOHPIC-UONOGXRCSA-N 1 1 292.448 3.155 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccc(C)s2)C1 ZINC001025327340 800756704 /nfs/dbraw/zinc/75/67/04/800756704.db2.gz WNWALZSEJLQLCX-KBPBESRZSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cscc2C)C1 ZINC001025380855 800759479 /nfs/dbraw/zinc/75/94/79/800759479.db2.gz KUOZYRKMRGLXSP-UONOGXRCSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CCC(=C)CC2)C1 ZINC001025525117 800762407 /nfs/dbraw/zinc/76/24/07/800762407.db2.gz YBVLKODSLZJFIT-WBVHZDCISA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2CCC=CCC2)C1 ZINC001025623326 800764633 /nfs/dbraw/zinc/76/46/33/800764633.db2.gz AYMFDNHLRRBTAM-RDJZCZTQSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2ccccc2C)C1 ZINC001027279385 800787667 /nfs/dbraw/zinc/78/76/67/800787667.db2.gz VXISDJPDDOZNLO-MRXNPFEDSA-N 1 1 286.419 3.108 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)C2CCC2)C1 ZINC001027460727 800797112 /nfs/dbraw/zinc/79/71/12/800797112.db2.gz NZLAEMQZEKBNFR-UKRRQHHQSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)C2CCC2)C1 ZINC001027460727 800797115 /nfs/dbraw/zinc/79/71/15/800797115.db2.gz NZLAEMQZEKBNFR-UKRRQHHQSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C2CC3(CCC3)C2)C1 ZINC001027530193 800800164 /nfs/dbraw/zinc/80/01/64/800800164.db2.gz UIMHLNHQOPITTO-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCCN(C(=O)C2(CC)CCC2)C1 ZINC001027534123 800802194 /nfs/dbraw/zinc/80/21/94/800802194.db2.gz RSQCPLXTCVIFPB-CQSZACIVSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCCN(C(=O)C2(CC)CCC2)C1 ZINC001027534123 800802201 /nfs/dbraw/zinc/80/22/01/800802201.db2.gz RSQCPLXTCVIFPB-CQSZACIVSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001027565198 800802844 /nfs/dbraw/zinc/80/28/44/800802844.db2.gz SRTLWCWRDAGTOF-JFIYKMOQSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)C1=CCCCCC1 ZINC001027843135 800821573 /nfs/dbraw/zinc/82/15/73/800821573.db2.gz PXILQKJDOVCWLW-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1csc(C)c1C ZINC001027906179 800826786 /nfs/dbraw/zinc/82/67/86/800826786.db2.gz KPIBGBMTHMAAKP-CQSZACIVSA-N 1 1 292.448 3.135 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001028021456 800827552 /nfs/dbraw/zinc/82/75/52/800827552.db2.gz RQCJIYLWZIHDGU-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(Cl)cc1 ZINC001028276989 800837977 /nfs/dbraw/zinc/83/79/77/800837977.db2.gz QJXGYVDUTMMSHE-OAHLLOKOSA-N 1 1 292.810 3.110 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)c2ccccc2C)C1 ZINC001028381983 800846407 /nfs/dbraw/zinc/84/64/07/800846407.db2.gz CMMNSJHGSVBVID-MRXNPFEDSA-N 1 1 286.419 3.013 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](CNC(=O)c2ccc3ccccc3c2)C1 ZINC001028946478 800855247 /nfs/dbraw/zinc/85/52/47/800855247.db2.gz IFHFZLZTFJIBCD-HNNXBMFYSA-N 1 1 294.398 3.078 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CNC(=O)c2ccc(Cl)s2)C1 ZINC001028968706 800856549 /nfs/dbraw/zinc/85/65/49/800856549.db2.gz YMZQPLBPIBHUME-LLVKDONJSA-N 1 1 298.839 3.029 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001029013122 800858594 /nfs/dbraw/zinc/85/85/94/800858594.db2.gz XPKKLPCHBLEIAK-JKSUJKDBSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)CC ZINC001029419479 800867979 /nfs/dbraw/zinc/86/79/79/800867979.db2.gz CJDSPLFTVBILBK-OAGGEKHMSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CC1 ZINC001029453868 800869264 /nfs/dbraw/zinc/86/92/64/800869264.db2.gz NVEMVGSYABCAPO-SOLBZPMBSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)c2c(C)cccc2Cl)C1 ZINC001030895409 800900595 /nfs/dbraw/zinc/90/05/95/800900595.db2.gz CRMKDKLZIIMBIS-UHFFFAOYSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)c2cccc(C3CCC3)c2)C1 ZINC001031256902 800906877 /nfs/dbraw/zinc/90/68/77/800906877.db2.gz FMHMFHLEVPBWFB-UHFFFAOYSA-N 1 1 298.430 3.334 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CCCCCC1 ZINC001032450958 800929607 /nfs/dbraw/zinc/92/96/07/800929607.db2.gz GZWIHTJVMBBIST-HOTGVXAUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)c1ccccc1 ZINC001032741607 800934692 /nfs/dbraw/zinc/93/46/92/800934692.db2.gz STNKLRHWWIZHBE-NJAFHUGGSA-N 1 1 298.430 3.041 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC(C)(C)C1 ZINC001032808455 800937228 /nfs/dbraw/zinc/93/72/28/800937228.db2.gz ZHYJDUGPLRWBFR-JYJNAYRXSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)C2(C)CCCCCC2)C1 ZINC001033159348 800953650 /nfs/dbraw/zinc/95/36/50/800953650.db2.gz WYNZISXMJMSOOJ-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC=CCCC2)C1 ZINC001033181222 800953659 /nfs/dbraw/zinc/95/36/59/800953659.db2.gz GVRLFNFVIYKGFL-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(Cl)cs2)C1 ZINC001033471936 800966374 /nfs/dbraw/zinc/96/63/74/800966374.db2.gz PRWUCGBXHFMUGO-LBPRGKRZSA-N 1 1 298.839 3.124 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)C2(F)CCCCC2)C1 ZINC001033560372 800967602 /nfs/dbraw/zinc/96/76/02/800967602.db2.gz ZLDYVRXZEFZNIG-OAHLLOKOSA-N 1 1 296.430 3.158 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(C)c2C)C1 ZINC001033631909 800970744 /nfs/dbraw/zinc/97/07/44/800970744.db2.gz XCBNIINJAWGAKQ-INIZCTEOSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C)ccc2C)C1 ZINC001033616983 800970820 /nfs/dbraw/zinc/97/08/20/800970820.db2.gz LLPVTIJVQSXHCM-INIZCTEOSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)cc2)C1 ZINC001033614074 800972305 /nfs/dbraw/zinc/97/23/05/800972305.db2.gz PTCTVDLUVOGOKE-QGZVFWFLSA-N 1 1 286.419 3.108 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C)cc2)C1 ZINC001033614073 800972343 /nfs/dbraw/zinc/97/23/43/800972343.db2.gz PTCTVDLUVOGOKE-KRWDZBQOSA-N 1 1 286.419 3.108 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccccc2C)C1 ZINC001033733558 800979208 /nfs/dbraw/zinc/97/92/08/800979208.db2.gz DIZXVWGHBCOZMA-MRXNPFEDSA-N 1 1 286.419 3.108 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCC23CC3)C1 ZINC001033872457 800987599 /nfs/dbraw/zinc/98/75/99/800987599.db2.gz KKQBZKJPABHDGM-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C1CCC(C(=O)N(CC)[C@H]2CC[N@H+](CCCC)C2)CC1 ZINC001033949349 800990851 /nfs/dbraw/zinc/99/08/51/800990851.db2.gz GRFNWYRQNVXAFS-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2cccc(C)c2)C1 ZINC001034083077 801002681 /nfs/dbraw/zinc/00/26/81/801002681.db2.gz OXVSITYIGBCGJU-KRWDZBQOSA-N 1 1 286.419 3.155 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@H](NC(=O)C2CCCCC2)C1 ZINC001034085243 801002884 /nfs/dbraw/zinc/00/28/84/801002884.db2.gz GKTNZXUHAKJUGG-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2cc(C)oc2C)C1 ZINC001034102891 801005396 /nfs/dbraw/zinc/00/53/96/801005396.db2.gz STIOMSCMIGBMHE-OAHLLOKOSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)C2(C)CCCCC2)C1 ZINC001034386932 801023634 /nfs/dbraw/zinc/02/36/34/801023634.db2.gz VWULNMBQZFONBF-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001034477687 801028029 /nfs/dbraw/zinc/02/80/29/801028029.db2.gz PDHQQVIVOLZTFG-CVEARBPZSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2sccc2CC)C1 ZINC001034542344 801032221 /nfs/dbraw/zinc/03/22/21/801032221.db2.gz VPHUIPSIXQLWMI-AWEZNQCLSA-N 1 1 292.448 3.081 20 30 CGEDMO C=CCC[N@H+]1CCC2(C1)CCN(C(=O)C1CCCC1)CC2 ZINC001035150842 801052662 /nfs/dbraw/zinc/05/26/62/801052662.db2.gz KIZBCCHDKVRVMO-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C3CCCC3)CC[C@H]21 ZINC001036622908 801083505 /nfs/dbraw/zinc/08/35/05/801083505.db2.gz SABBSIYJUHZZCG-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)C(F)=C(C)C)CC[C@@H]21 ZINC001036684436 801088440 /nfs/dbraw/zinc/08/84/40/801088440.db2.gz HQVUNWUGAYNOOB-GJZGRUSLSA-N 1 1 294.414 3.139 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3CCCC)C2)C1 ZINC001036816304 801092853 /nfs/dbraw/zinc/09/28/53/801092853.db2.gz SLEZIMMBBAANSU-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2CN(C(=O)c3cccc(C)c3C)CC[C@@H]21 ZINC001036883394 801093287 /nfs/dbraw/zinc/09/32/87/801093287.db2.gz CJJQTBASBPGERL-WMZOPIPTSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1ccc(CCC)s1 ZINC001038297486 801123875 /nfs/dbraw/zinc/12/38/75/801123875.db2.gz OKXODHILCJPIHO-ZDUSSCGKSA-N 1 1 292.448 3.081 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1ccc(CCC)s1 ZINC001038297486 801123881 /nfs/dbraw/zinc/12/38/81/801123881.db2.gz OKXODHILCJPIHO-ZDUSSCGKSA-N 1 1 292.448 3.081 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)c1ccc(C)cc1C ZINC001038981032 801140357 /nfs/dbraw/zinc/14/03/57/801140357.db2.gz CUAZTRYVEYHKEV-INIZCTEOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](C2CCN(C(=O)C(C)C)CC2)C1 ZINC001039118958 801149912 /nfs/dbraw/zinc/14/99/12/801149912.db2.gz PBIHUVQYGZUOTP-QGZVFWFLSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C2CCC2)C1 ZINC001039178417 801150345 /nfs/dbraw/zinc/15/03/45/801150345.db2.gz PQUZFALIFYIMSD-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC(C)(C)C ZINC001039331694 801158637 /nfs/dbraw/zinc/15/86/37/801158637.db2.gz WJOUWSNWZXNXIU-CABCVRRESA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC1(C)C ZINC001039358371 801160606 /nfs/dbraw/zinc/16/06/06/801160606.db2.gz KTJGLSKWFLDVDM-OWCLPIDISA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1(C)C ZINC001039363139 801160667 /nfs/dbraw/zinc/16/06/67/801160667.db2.gz KTJGLSKWFLDVDM-PMPSAXMXSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC1(C)C ZINC001039422230 801160947 /nfs/dbraw/zinc/16/09/47/801160947.db2.gz OXRPPJCVUTYLLV-OWCLPIDISA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C=C)cc1 ZINC001039442237 801162070 /nfs/dbraw/zinc/16/20/70/801162070.db2.gz UQVZFKYBQWIYME-MSOLQXFVSA-N 1 1 296.414 3.195 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@]2(CCN(C(=O)/C(C)=C\C)C2)C1 ZINC001040144147 801174427 /nfs/dbraw/zinc/17/44/27/801174427.db2.gz CRBYEBWMTVITOD-BOCDPNTGSA-N 1 1 296.842 3.020 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@]2(CCN(C(=O)/C(C)=C\C)C2)C1 ZINC001040144147 801174431 /nfs/dbraw/zinc/17/44/31/801174431.db2.gz CRBYEBWMTVITOD-BOCDPNTGSA-N 1 1 296.842 3.020 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](F)CC)C2)C1 ZINC001040332474 801175896 /nfs/dbraw/zinc/17/58/96/801175896.db2.gz QNRHTAIYEFFPPC-DOTOQJQBSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](C)C(C)C)C2)C1 ZINC001040424975 801177119 /nfs/dbraw/zinc/17/71/19/801177119.db2.gz OCZOBYBIWNUCIP-WMZOPIPTSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)CCC3CCC3)C2)C1 ZINC001041180470 801188131 /nfs/dbraw/zinc/18/81/31/801188131.db2.gz FQBXFMDSEJGMAE-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)C(C)C)C2)C1 ZINC001041322454 801189692 /nfs/dbraw/zinc/18/96/92/801189692.db2.gz QJIKRUCPTCRPSE-SFHVURJKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)C3CCCC3)C[C@@H]21 ZINC001041891981 801195755 /nfs/dbraw/zinc/19/57/55/801195755.db2.gz VLJNRYXMAAUMRJ-WBVHZDCISA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)CC(C)(C)C)C[C@@H]21 ZINC001041927041 801196813 /nfs/dbraw/zinc/19/68/13/801196813.db2.gz GUKUMBCATQXAII-KGLIPLIRSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC(C)(C)C)C[C@@H]21 ZINC001041927041 801196817 /nfs/dbraw/zinc/19/68/17/801196817.db2.gz GUKUMBCATQXAII-KGLIPLIRSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](CCC)[C@H]2C1 ZINC001042077980 801200017 /nfs/dbraw/zinc/20/00/17/801200017.db2.gz SIFIUUCRWPWAJO-KGLIPLIRSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](CCCC)[C@@H]2C1 ZINC001042183814 801201977 /nfs/dbraw/zinc/20/19/77/801201977.db2.gz MYLDUATUTOONEH-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)C(CC)(CC)CC)C[C@H]21 ZINC001042290531 801203896 /nfs/dbraw/zinc/20/38/96/801203896.db2.gz PVTGHBYFQYDMGL-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@@H]2C[C@@]2(C)CC)CC1 ZINC001045606940 801281605 /nfs/dbraw/zinc/28/16/05/801281605.db2.gz ONKPKOACZBXGAA-DZGCQCFKSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001045840711 801288809 /nfs/dbraw/zinc/28/88/09/801288809.db2.gz MDTHPPQYALQYTA-SOLBZPMBSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C(C)(C)C)C2 ZINC001045981771 801296660 /nfs/dbraw/zinc/29/66/60/801296660.db2.gz ZVBWRDIPOHTCLP-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)c2ccc(Cl)o2)C1 ZINC001046144834 801300288 /nfs/dbraw/zinc/30/02/88/801300288.db2.gz RUMNCIKBDKNOEA-OAHLLOKOSA-N 1 1 296.798 3.093 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)C2=CCCCCC2)C1 ZINC001046264497 801306193 /nfs/dbraw/zinc/30/61/93/801306193.db2.gz KMZPKKKRDLJASU-QGZVFWFLSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001046320398 801307971 /nfs/dbraw/zinc/30/79/71/801307971.db2.gz IRYXJIIAFFGPKZ-DOTOQJQBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001046413922 801308882 /nfs/dbraw/zinc/30/88/82/801308882.db2.gz CZHJQROIVIDRDN-WMZOPIPTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C1CCC(C(=O)N[C@]2(C)CC[N@H+](CC[C@@H](C)F)C2)CC1 ZINC001046593831 801316403 /nfs/dbraw/zinc/31/64/03/801316403.db2.gz AWLZCJUOGQQXQU-RHSMWYFYSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C(F)F)cc2)C1 ZINC001046700777 801320699 /nfs/dbraw/zinc/32/06/99/801320699.db2.gz CNBZXNYDQSIFAW-INIZCTEOSA-N 1 1 294.345 3.004 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2csc(Cl)c2)C1 ZINC001046673036 801320742 /nfs/dbraw/zinc/32/07/42/801320742.db2.gz CWIONCICFHWJRM-CQSZACIVSA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)C2CCC=CCC2)C1 ZINC001046843373 801329001 /nfs/dbraw/zinc/32/90/01/801329001.db2.gz UZLGIBNTWRRZFZ-GOSISDBHSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CCCC1 ZINC001049280172 801357778 /nfs/dbraw/zinc/35/77/78/801357778.db2.gz MTBHHTYSFPPZHG-DLBZAZTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CCCCC1 ZINC001049298990 801360922 /nfs/dbraw/zinc/36/09/22/801360922.db2.gz PRRZQFGMZFYTKD-DLBZAZTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1ccccc1C ZINC001049300530 801362144 /nfs/dbraw/zinc/36/21/44/801362144.db2.gz BYHXKKGHMPUXNY-MSOLQXFVSA-N 1 1 298.430 3.250 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)CC ZINC001049340718 801367430 /nfs/dbraw/zinc/36/74/30/801367430.db2.gz SPFGSZOGOPCPRB-OWCLPIDISA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)=C1CCCC1 ZINC001049412844 801370285 /nfs/dbraw/zinc/37/02/85/801370285.db2.gz QDBBBQXRYCNEEJ-IAGOWNOFSA-N 1 1 288.435 3.128 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(F)=C1CCCC1 ZINC001049419142 801370571 /nfs/dbraw/zinc/37/05/71/801370571.db2.gz MLHLUNKQVWQYFK-CABCVRRESA-N 1 1 292.398 3.035 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(C)=C1CCC1 ZINC001049466439 801373411 /nfs/dbraw/zinc/37/34/11/801373411.db2.gz FANGOXGVPIUSQD-IAGOWNOFSA-N 1 1 288.435 3.128 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2C/C=C\Cl ZINC001049637164 801379663 /nfs/dbraw/zinc/37/96/63/801379663.db2.gz FWCJYVDBRHXFHZ-CHOOUNKSSA-N 1 1 296.842 3.016 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC(C)C ZINC001049636787 801380138 /nfs/dbraw/zinc/38/01/38/801380138.db2.gz DPOSSMNQLSBGRL-JKSUJKDBSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCCF ZINC001049634221 801380292 /nfs/dbraw/zinc/38/02/92/801380292.db2.gz PNPWVZQANTVORY-GJZGRUSLSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCC ZINC001049644292 801381104 /nfs/dbraw/zinc/38/11/04/801381104.db2.gz IIHBHVZIYNDKQF-CABCVRRESA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC1CC1 ZINC001049648587 801381597 /nfs/dbraw/zinc/38/15/97/801381597.db2.gz WWXNRWNIEOGHIS-CVEARBPZSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccccc1CC ZINC001049671429 801384415 /nfs/dbraw/zinc/38/44/15/801384415.db2.gz LHOLNKGHYRNOOY-QZTJIDSGSA-N 1 1 298.430 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1(C(C)C)CC1 ZINC001049702456 801387311 /nfs/dbraw/zinc/38/73/11/801387311.db2.gz LPYUWYPXIOVARY-HZPDHXFCSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)C(C)C ZINC001049769705 801388535 /nfs/dbraw/zinc/38/85/35/801388535.db2.gz PRGOEOSEMKTZIA-IXDOHACOSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2CCCN(C(=O)CC(C)(C)C)[C@@H]2C1 ZINC001049973720 801395745 /nfs/dbraw/zinc/39/57/45/801395745.db2.gz QPYNNADZZZVFFB-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)oc2C)CC1 ZINC001052194007 801425752 /nfs/dbraw/zinc/42/57/52/801425752.db2.gz CFUKWZJIUWTSET-OAHLLOKOSA-N 1 1 290.407 3.057 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccsc2C)CC1 ZINC001052360883 801432365 /nfs/dbraw/zinc/43/23/65/801432365.db2.gz UFHAPWOMCRSBBR-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001052579681 801439496 /nfs/dbraw/zinc/43/94/96/801439496.db2.gz YDKLCSWLIGRTKB-JFIYKMOQSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@]23C[C@@H]2CCCC3)CC1 ZINC001052685711 801447275 /nfs/dbraw/zinc/44/72/75/801447275.db2.gz COEDPUAUMKECII-BQFCYCMXSA-N 1 1 290.451 3.114 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C(C)C)cc2)CC1 ZINC001052891153 801455331 /nfs/dbraw/zinc/45/53/31/801455331.db2.gz LKPJIOKZAUKETP-GOSISDBHSA-N 1 1 298.430 3.028 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C)c(C)c2)CC1 ZINC001052911756 801455458 /nfs/dbraw/zinc/45/54/58/801455458.db2.gz OBDLYFLZZCKIQL-KRWDZBQOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccc(C)cc2)CC1 ZINC001052891169 801455830 /nfs/dbraw/zinc/45/58/30/801455830.db2.gz LZCPOXVEFCATQW-KRWDZBQOSA-N 1 1 286.419 3.155 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C3CC3)cc2)CC1 ZINC001052952889 801456980 /nfs/dbraw/zinc/45/69/80/801456980.db2.gz SQUNFHIWOYAQSB-GOSISDBHSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@]2(CC[N@H+](CC)C2)C1 ZINC001054138571 801476027 /nfs/dbraw/zinc/47/60/27/801476027.db2.gz SXHAMYUYDOJHRN-INIZCTEOSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)C)C2 ZINC001054230947 801478705 /nfs/dbraw/zinc/47/87/05/801478705.db2.gz HICBQOSHSVMVNE-MRXNPFEDSA-N 1 1 298.858 3.100 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)CC2=CCCCC2)CC[C@H]1C ZINC001071391751 801532718 /nfs/dbraw/zinc/53/27/18/801532718.db2.gz MULBESFBUHARQP-ZBFHGGJFSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)C(C)=C2CCCC2)CC[C@H]1C ZINC001071419848 801534608 /nfs/dbraw/zinc/53/46/08/801534608.db2.gz FQFJJBQDUKOITP-RHSMWYFYSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2cc(C)cs2)CC[C@H]1C ZINC001071477337 801538763 /nfs/dbraw/zinc/53/87/63/801538763.db2.gz MMHJXNBKJFQTPQ-ZIAGYGMSSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C(C)=C2CCC2)CC[C@H]1C ZINC001071489065 801541452 /nfs/dbraw/zinc/54/14/52/801541452.db2.gz ZAZSDSZSVYMGAW-CZUORRHYSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2csc(C)c2C)CC[C@@H]1C ZINC001071531840 801542358 /nfs/dbraw/zinc/54/23/58/801542358.db2.gz QXBYVSUNKMFBCL-FZMZJTMJSA-N 1 1 292.448 3.134 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)C2CCC3(CC3)CC2)CC[C@H]1C ZINC001071689395 801546052 /nfs/dbraw/zinc/54/60/52/801546052.db2.gz JVINCNPKDNGENF-GDBMZVCRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)C2(C)CCCC2)CC[C@H]1C ZINC001071714817 801547669 /nfs/dbraw/zinc/54/76/69/801547669.db2.gz BBMHNYUCNAMLBZ-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)CC2CC(C)(C)C2)CC[C@@H]1C ZINC001071763238 801549343 /nfs/dbraw/zinc/54/93/43/801549343.db2.gz UGULXHBPTZPSPI-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC3CC3)C2)CC1 ZINC001071794575 801551510 /nfs/dbraw/zinc/55/15/10/801551510.db2.gz CWSODKWJOURLKP-PBHICJAKSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2ccc(C=C)cc2)CC[C@@H]1C ZINC001071828668 801554331 /nfs/dbraw/zinc/55/43/31/801554331.db2.gz SEXUXEITWXXGGS-MAUKXSAKSA-N 1 1 298.430 3.488 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2cccc(C)c2C)CC[C@H]1C ZINC001072041247 801561049 /nfs/dbraw/zinc/56/10/49/801561049.db2.gz VRYUORICASGYMG-GDBMZVCRSA-N 1 1 286.419 3.072 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C2CCC(C)(C)CC2)CC[C@@H]1C ZINC001072106589 801565618 /nfs/dbraw/zinc/56/56/18/801565618.db2.gz SSGIZMMMZOCTHA-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=Cc1ccc(C(=O)N2CC3(C2)CC[N@H+](CC(=C)C)C3)cc1 ZINC001073003837 801577362 /nfs/dbraw/zinc/57/73/62/801577362.db2.gz OFNDJVSNYGKATH-UHFFFAOYSA-N 1 1 296.414 3.054 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C3CCCCC3)[C@@H]2C1 ZINC001075504220 801604419 /nfs/dbraw/zinc/60/44/19/801604419.db2.gz ZQDNHHGUCFTBOE-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C(C)(C)C)[C@@H]2C1 ZINC001084578625 801671092 /nfs/dbraw/zinc/67/10/92/801671092.db2.gz GBQRZVLONWVSAW-HUUCEWRRSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)cs1 ZINC001085584667 801696013 /nfs/dbraw/zinc/69/60/13/801696013.db2.gz KRYHKLHUQBNQDJ-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C2CC2)cc1 ZINC001085982604 801716020 /nfs/dbraw/zinc/71/60/20/801716020.db2.gz ONAWZDZKGMFOSH-SFHVURJKSA-N 1 1 298.430 3.286 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@H]2C=CCC2)[C@H]1CC ZINC001087496522 801752568 /nfs/dbraw/zinc/75/25/68/801752568.db2.gz CFSVONQXHHFRFD-SOUVJXGZSA-N 1 1 296.842 3.064 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2C=CCC2)[C@H]1CC ZINC001087496522 801752570 /nfs/dbraw/zinc/75/25/70/801752570.db2.gz CFSVONQXHHFRFD-SOUVJXGZSA-N 1 1 296.842 3.064 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2=CCCCCC2)[C@H]1CC ZINC001087553262 801757770 /nfs/dbraw/zinc/75/77/70/801757770.db2.gz XIRGLLZZWIEZOO-DLBZAZTESA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@]23C[C@H]2CCCC3)[C@H]1CC ZINC001087714826 801764495 /nfs/dbraw/zinc/76/44/95/801764495.db2.gz HFQDBGXDIBQTLR-KYHPRHEASA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CC2CCCC2)[C@H]1C ZINC001088452636 801794203 /nfs/dbraw/zinc/79/42/03/801794203.db2.gz WHMYAJCBXQKIRN-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C(C)C)[C@H]1C ZINC001088606877 801803623 /nfs/dbraw/zinc/80/36/23/801803623.db2.gz SKIQNQHEUBXUMI-QAPCUYQASA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cscc2Cl)[C@H]1C ZINC001088642668 801804734 /nfs/dbraw/zinc/80/47/34/801804734.db2.gz RQFQFXQZEGIEOX-MFKMUULPSA-N 1 1 298.839 3.170 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CCC3)[C@@H]2C)CC1 ZINC001088838327 801809891 /nfs/dbraw/zinc/80/98/91/801809891.db2.gz CWXDKIZDJLNXOE-PBHICJAKSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCCC(C)(C)C2)[C@H]1C ZINC001088980288 801816437 /nfs/dbraw/zinc/81/64/37/801816437.db2.gz CQCYPHVKXNVXDS-OAGGEKHMSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)C2CCC2)CC(C)(C)C1 ZINC001089416803 801837649 /nfs/dbraw/zinc/83/76/49/801837649.db2.gz PTZIUWIIPYIBAO-GOEBONIOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2C)CC(C)(C)C1 ZINC001089457606 801838805 /nfs/dbraw/zinc/83/88/05/801838805.db2.gz CMCNAEDNQDNZTB-MRVWCRGKSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccco1 ZINC001089596135 801843380 /nfs/dbraw/zinc/84/33/80/801843380.db2.gz UXTBQBMMWPDSMW-CQSZACIVSA-N 1 1 290.407 3.076 20 30 CGEDMO C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CC(C)C1 ZINC001089626495 801847355 /nfs/dbraw/zinc/84/73/55/801847355.db2.gz KDDQCTPXUTZVNL-UYSNPLJNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(CNC(=O)c3ccccc3)CCC[C@@H]12 ZINC001094352356 801870791 /nfs/dbraw/zinc/87/07/91/801870791.db2.gz SDLXPLWQUKALOW-IEBWSBKVSA-N 1 1 298.430 3.237 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccs1)C2 ZINC001095128843 801881060 /nfs/dbraw/zinc/88/10/60/801881060.db2.gz CAFGSBGCSVXPCT-RDBSUJKOSA-N 1 1 290.432 3.049 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C=C)cc1)C2 ZINC001096052657 801887253 /nfs/dbraw/zinc/88/72/53/801887253.db2.gz XYPVRHNRYCTBLY-SQNIBIBYSA-N 1 1 296.414 3.241 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCCCC1)C2 ZINC001096746879 801893391 /nfs/dbraw/zinc/89/33/91/801893391.db2.gz WVEXYEJXAWDETI-ZACQAIPSSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(C)C)CC1 ZINC001097789752 801906020 /nfs/dbraw/zinc/90/60/20/801906020.db2.gz UTPUDQZFVQXTPP-ZACQAIPSSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)c1ccccc1)C2 ZINC001098233485 801907602 /nfs/dbraw/zinc/90/76/02/801907602.db2.gz LKFNRIQKYVLJCD-HPBDAGMYSA-N 1 1 298.430 3.088 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@]1(C)CC=C(C)CC1)C2 ZINC001098451454 801910477 /nfs/dbraw/zinc/91/04/77/801910477.db2.gz JLTWEHKMOGZPMK-XLMAVXFVSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H]1C=CCC1 ZINC001098888374 801917458 /nfs/dbraw/zinc/91/74/58/801917458.db2.gz MOTRFULKIUXAGJ-HOTGVXAUSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H](C=C)CC ZINC001099188430 801932041 /nfs/dbraw/zinc/93/20/41/801932041.db2.gz FZAPAVVFQWQKHJ-JKSUJKDBSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CCF ZINC001099187960 801932678 /nfs/dbraw/zinc/93/26/78/801932678.db2.gz ACNWPWARQNXJLF-GJZGRUSLSA-N 1 1 298.446 3.165 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CCF ZINC001099187960 801932682 /nfs/dbraw/zinc/93/26/82/801932682.db2.gz ACNWPWARQNXJLF-GJZGRUSLSA-N 1 1 298.446 3.165 20 30 CGEDMO C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)C(C)C ZINC001099257330 801935044 /nfs/dbraw/zinc/93/50/44/801935044.db2.gz DITFGWOTHSHZCJ-HZPDHXFCSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CN(C(=O)C(CCC)CCC)C[C@]2(C)C1 ZINC001101342718 801975588 /nfs/dbraw/zinc/97/55/88/801975588.db2.gz JWNWFZRHKAKYRO-AEFFLSMTSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)CC(CC)CC)C[C@]2(C)C1 ZINC001101408192 801977371 /nfs/dbraw/zinc/97/73/71/801977371.db2.gz QIZXOKFBURYWJE-AEFFLSMTSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](CNC(=O)C(F)=C2CCCC2)[C@H](C)C1 ZINC001101877966 801996697 /nfs/dbraw/zinc/99/66/97/801996697.db2.gz RLXDQJCZIPXASN-UKRRQHHQSA-N 1 1 294.414 3.044 20 30 CGEDMO C=CCC(CC=C)C(=O)NC[C@@H]1C[N@H+](CC(=C)C)C[C@H]1C ZINC001101996786 801998471 /nfs/dbraw/zinc/99/84/71/801998471.db2.gz IELRUEXTOBKVDG-NVXWUHKLSA-N 1 1 290.451 3.015 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)C(C)(C)C(=C)C)[C@H](C)C1 ZINC001102218105 801999507 /nfs/dbraw/zinc/99/95/07/801999507.db2.gz TXHNBKATVKTMNR-TZMCWYRMSA-N 1 1 298.858 3.025 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@@H+](CCCCC)C[C@H]1C ZINC001102221169 802000803 /nfs/dbraw/zinc/00/08/03/802000803.db2.gz IMYRFYFEHUOVRZ-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H]1C[N@@H+](CC=C(C)C)C[C@H]1C ZINC001102325875 802005144 /nfs/dbraw/zinc/00/51/44/802005144.db2.gz DEAYYYBZDZSNAO-NUJGCVRESA-N 1 1 292.467 3.239 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1C ZINC001102327437 802005534 /nfs/dbraw/zinc/00/55/34/802005534.db2.gz UHYPKXZNXQXFQL-DITYWLEZSA-N 1 1 298.858 3.025 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](CNC(=O)CCCCCC(C)C)[C@H](C)C1 ZINC001102435862 802007891 /nfs/dbraw/zinc/00/78/91/802007891.db2.gz MIRNBMFBXVKXHA-IAGOWNOFSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](CNC(=O)C(CC)(CC)CC)[C@H](C)C1 ZINC001102484091 802008783 /nfs/dbraw/zinc/00/87/83/802008783.db2.gz UMPYVXGXHQQATC-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)CC[C@H](C)CC)[C@H](C)C1 ZINC001102478496 802009152 /nfs/dbraw/zinc/00/91/52/802009152.db2.gz VGVSBENRNKWBGS-BRWVUGGUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)CCC(C)(C)C)[C@H](C)C1 ZINC001102512443 802011553 /nfs/dbraw/zinc/01/15/53/802011553.db2.gz OLSVTIITYKYADP-BZUAXINKSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2C[N@@H+](CC)C[C@H]2C)CCCCC1 ZINC001102592996 802012998 /nfs/dbraw/zinc/01/29/98/802012998.db2.gz BVKTXTNVOSHDKH-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)C)C1 ZINC001102674430 802016870 /nfs/dbraw/zinc/01/68/70/802016870.db2.gz PLQJQHSQEWWGFA-OWCLPIDISA-N 1 1 280.456 3.071 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC(C)C)C1 ZINC001102654279 802017527 /nfs/dbraw/zinc/01/75/27/802017527.db2.gz CHEPNBIZVZYFBH-HZPDHXFCSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C[C@H](CC)CC(=O)NCC[C@@H]1C[N@@H+](CC(=C)C)C[C@H]1C ZINC001103346588 802030236 /nfs/dbraw/zinc/03/02/36/802030236.db2.gz NLXMZSIEBPVMJP-BRWVUGGUSA-N 1 1 292.467 3.239 20 30 CGEDMO C=C/C(C)=C/CC(=O)NCC[C@@H]1C[N@H+](CC(=C)C)C[C@H]1C ZINC001103327155 802030403 /nfs/dbraw/zinc/03/04/03/802030403.db2.gz KTEWYSQECPQDFO-JRLUYGLASA-N 1 1 290.451 3.159 20 30 CGEDMO C=CCCCC(=O)NCC[C@@H]1C[N@H+](CC(=C)Cl)C[C@H]1C ZINC001103385239 802033183 /nfs/dbraw/zinc/03/31/83/802033183.db2.gz JIEAUSSJSIGPJI-UKRRQHHQSA-N 1 1 298.858 3.169 20 30 CGEDMO C=CCCCC(=O)NCC[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C ZINC001103385251 802033796 /nfs/dbraw/zinc/03/37/96/802033796.db2.gz JUKHKTLSCLDIEK-IAGOWNOFSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)CC)CCC[C@@H]12 ZINC001107285240 802084368 /nfs/dbraw/zinc/08/43/68/802084368.db2.gz PHRUPRSSKBDNPO-JGGQBBKZSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@]2(CNC(=O)/C(C)=C\C)CCC[C@@H]12 ZINC001107356630 802087313 /nfs/dbraw/zinc/08/73/13/802087313.db2.gz MFLWYCGSMBTLCQ-ZKGZXTOQSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC)CC2 ZINC001107560307 802090100 /nfs/dbraw/zinc/09/01/00/802090100.db2.gz GMDFEJMCMDVGTL-CRAIPNDOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)CC)CCC[C@@H]12 ZINC001107525578 802090136 /nfs/dbraw/zinc/09/01/36/802090136.db2.gz KAYBNQLMAQEUDE-CRAIPNDOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC)CC2 ZINC001107515058 802090470 /nfs/dbraw/zinc/09/04/70/802090470.db2.gz JUNWJEMRQRFOCY-JFIYKMOQSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)F)C2 ZINC001108855421 802101859 /nfs/dbraw/zinc/10/18/59/802101859.db2.gz GEZCLJMEHJJKRW-ILXRZTDVSA-N 1 1 298.446 3.426 20 30 CGEDMO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](C)CC(C)C ZINC001109054948 802106224 /nfs/dbraw/zinc/10/62/24/802106224.db2.gz HQXVDKLOZGDCAF-YVSFHVDLSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C(C)=C/CC)C2 ZINC001109011966 802106244 /nfs/dbraw/zinc/10/62/44/802106244.db2.gz UMAWVOMYGVWUPD-HQFYMVGQSA-N 1 1 276.424 3.030 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CCC1)C2 ZINC001109118052 802107573 /nfs/dbraw/zinc/10/75/73/802107573.db2.gz XBVMINSRNJXRBQ-ORQFMDKSSA-N 1 1 290.451 3.253 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C=C/C1CC1)C2 ZINC001109123102 802107837 /nfs/dbraw/zinc/10/78/37/802107837.db2.gz PUWIJIKWZVSKSN-UXRYBYHWSA-N 1 1 288.435 3.029 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H](C)CC)C2 ZINC001109206805 802111695 /nfs/dbraw/zinc/11/16/95/802111695.db2.gz UXJNWQKUAHHBTD-FZKCQIBNSA-N 1 1 278.440 3.110 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC ZINC001109597310 802116827 /nfs/dbraw/zinc/11/68/27/802116827.db2.gz HPRLHEKVUVZVNK-ILXRZTDVSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C(CC)CC)C2 ZINC001109472190 802117100 /nfs/dbraw/zinc/11/71/00/802117100.db2.gz ZTGDPPNWFZAZFG-SIXLDLHFSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CCC)CC1)C2 ZINC001109694407 802123587 /nfs/dbraw/zinc/12/35/87/802123587.db2.gz XHSWKJCVFSDNMH-PMPSAXMXSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC)c1ccccc1 ZINC001110131216 802131906 /nfs/dbraw/zinc/13/19/06/802131906.db2.gz XLHQHOOFUPOWFR-OWSLCNJRSA-N 1 1 298.430 3.088 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)CCC)C2 ZINC001110374745 802138550 /nfs/dbraw/zinc/13/85/50/802138550.db2.gz MCBAHMDSQFXRFU-JJXSEGSLSA-N 1 1 278.440 3.110 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)CCC)C2 ZINC001110406077 802139753 /nfs/dbraw/zinc/13/97/53/802139753.db2.gz VSRTVHJYJWDODD-FPCVCCKLSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)/C=C/C(C)(C)C)C2 ZINC001110399058 802140844 /nfs/dbraw/zinc/14/08/44/802140844.db2.gz QDSMMJMKWWUQIQ-QCWRDMELSA-N 1 1 290.451 3.276 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1(C)CCCC1)C2 ZINC001110529218 802143633 /nfs/dbraw/zinc/14/36/33/802143633.db2.gz XLMYAEWXYQVJFL-OAGGEKHMSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](F)CC ZINC001110603770 802147344 /nfs/dbraw/zinc/14/73/44/802147344.db2.gz SQZMCLVKJHIIAY-YJNKXOJESA-N 1 1 296.430 3.058 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1 ZINC001110985277 802152010 /nfs/dbraw/zinc/15/20/10/802152010.db2.gz UUDDYZBKBQBRGR-CBZIJGRNSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@](C)(CC)CCC)C2 ZINC001111187356 802157104 /nfs/dbraw/zinc/15/71/04/802157104.db2.gz TXJWUBKXMFPLGI-AIANPOQGSA-N 1 1 278.440 3.110 20 30 CGEDMO C=C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC)c1ccccc1 ZINC001111441339 802161368 /nfs/dbraw/zinc/16/13/68/802161368.db2.gz IJWGJXJXEKVJGY-HPBDAGMYSA-N 1 1 298.430 3.088 20 30 CGEDMO C=CCCCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CCC1CC1)C2 ZINC001111859291 802170603 /nfs/dbraw/zinc/17/06/03/802170603.db2.gz YNXKXFYCBFHYBV-WMZOPIPTSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N[C@]12CCC[C@H]1C[N@H+](CCCC)C2 ZINC001111850398 802170907 /nfs/dbraw/zinc/17/09/07/802170907.db2.gz KXJFAFIEESNKMP-BQFCYCMXSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC2(C)CC2)C1 ZINC001111924225 802172965 /nfs/dbraw/zinc/17/29/65/802172965.db2.gz ZCGBZZYMGLJNAV-YJBOKZPZSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)CCC[C@@H](C)CCC)CC1 ZINC001112890259 802195328 /nfs/dbraw/zinc/19/53/28/802195328.db2.gz AIOWOLXXFHOXSZ-INIZCTEOSA-N 1 1 280.456 3.313 20 30 CGEDMO C[C@@H](Cc1ccncc1)[N@@H+](CCC#N)C1CCCC1 ZINC001256743755 806968795 /nfs/dbraw/zinc/96/87/95/806968795.db2.gz SQJFLVLXSXIKJE-AWEZNQCLSA-N 1 1 257.381 3.171 20 30 CGEDMO CCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(F)=C(C)C ZINC001114144675 802238539 /nfs/dbraw/zinc/23/85/39/802238539.db2.gz APVKOLYLPCSXME-FOLVSLTJSA-N 1 1 296.430 3.267 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(CC)CC)C[C@H]21 ZINC001114340617 802241745 /nfs/dbraw/zinc/24/17/45/802241745.db2.gz JKWRCLQHQWTLBD-QLPKVWCKSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)CCC ZINC001114767438 802244819 /nfs/dbraw/zinc/24/48/19/802244819.db2.gz ILKXRZIHBFWAOZ-WCVJEAGWSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(CCC)CCC ZINC001114747924 802245106 /nfs/dbraw/zinc/24/51/06/802245106.db2.gz JRNZQOBMCSFLJG-FICVDOATSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(CCC)CCC ZINC001114747924 802245112 /nfs/dbraw/zinc/24/51/12/802245112.db2.gz JRNZQOBMCSFLJG-FICVDOATSA-N 1 1 298.858 3.002 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C)cc1 ZINC001115161711 802253484 /nfs/dbraw/zinc/25/34/84/802253484.db2.gz KRYAHKPQDIKJEX-BGTYHANMSA-N 1 1 298.430 3.010 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)CC(C)(C)C ZINC001115273142 802255701 /nfs/dbraw/zinc/25/57/01/802255701.db2.gz GBQNELPIWYIWEF-FICVDOATSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)CCCCC ZINC001115274296 802255833 /nfs/dbraw/zinc/25/58/33/802255833.db2.gz UXDMJZRBDCXPFM-MWDXBVQZSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CCC)CC(C)C ZINC001115324913 802256795 /nfs/dbraw/zinc/25/67/95/802256795.db2.gz XSVRISVGNSDKEO-MWDXBVQZSA-N 1 1 292.467 3.071 20 30 CGEDMO CC(C)[N@H+]1CCN(c2nccc3ccc(C#N)cc32)C[C@H]1C ZINC001165199105 806974462 /nfs/dbraw/zinc/97/44/62/806974462.db2.gz HURDINQLSKQYCW-CQSZACIVSA-N 1 1 294.402 3.025 20 30 CGEDMO C#CC[N@@H+](Cc1cc(-c2cccs2)on1)CC1CC1 ZINC001116365861 802337686 /nfs/dbraw/zinc/33/76/86/802337686.db2.gz CEOKBNLLTLZVRL-UHFFFAOYSA-N 1 1 272.373 3.248 20 30 CGEDMO C#CC[N@H+](Cc1cc(-c2cccs2)on1)CC1CC1 ZINC001116365861 802337695 /nfs/dbraw/zinc/33/76/95/802337695.db2.gz CEOKBNLLTLZVRL-UHFFFAOYSA-N 1 1 272.373 3.248 20 30 CGEDMO C#CCOCC[N@@H+](C)CCCOc1cccc2ccccc21 ZINC001116401821 802342826 /nfs/dbraw/zinc/34/28/26/802342826.db2.gz PPEHIMZOWBTFAM-UHFFFAOYSA-N 1 1 297.398 3.190 20 30 CGEDMO CCCCCCC[C@@H](CCC)N1CCO[C@H](C[NH3+])C1 ZINC001172501866 808357143 /nfs/dbraw/zinc/35/71/43/808357143.db2.gz LMLOLFSGYVURIR-HZPDHXFCSA-N 1 1 270.461 3.175 20 30 CGEDMO C=C[C@H](COC)[NH2+][C@H]1CCc2ccc(F)c(Cl)c21 ZINC001118310666 802548309 /nfs/dbraw/zinc/54/83/09/802548309.db2.gz UXGXGUIISAPRLC-PWSUYJOCSA-N 1 1 269.747 3.257 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(-c2cnn(C)c2)cc1 ZINC001118798103 802604642 /nfs/dbraw/zinc/60/46/42/802604642.db2.gz WWCGYPGDBZCIBO-UHFFFAOYSA-N 1 1 255.365 3.095 20 30 CGEDMO C=CC[C@@H]1[N@H+](C[C@H](O)CCC2(O)CCC2)CCCC1(C)C ZINC001119770873 802698492 /nfs/dbraw/zinc/69/84/92/802698492.db2.gz DJYJYXBBAFUPAR-CVEARBPZSA-N 1 1 295.467 3.109 20 30 CGEDMO N#CC[C@@H](O)C[N@H+]1CCCCC[C@@H]1/C=C\c1cccs1 ZINC001119807493 802699655 /nfs/dbraw/zinc/69/96/55/802699655.db2.gz AZSCLUVKCJKFER-AZJURWTESA-N 1 1 290.432 3.280 20 30 CGEDMO C[N@@H+](Cc1cncc(C#N)c1)CC1(c2ccccc2)CC1 ZINC001119837600 802702008 /nfs/dbraw/zinc/70/20/08/802702008.db2.gz MOVWBVLSZPMNLY-UHFFFAOYSA-N 1 1 277.371 3.117 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCC(C)C)C1 ZINC001120320694 802739742 /nfs/dbraw/zinc/73/97/42/802739742.db2.gz RTBSXMPAUJQKNU-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]([C@H]2CCC[N@H+]2CC2CC2)C1 ZINC001120348401 802740363 /nfs/dbraw/zinc/74/03/63/802740363.db2.gz VARYOZLRZZQMBV-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C[N@H+]1CCCC[C@H]1CNc1ncc(C#N)c2ccsc21 ZINC001120883480 802790977 /nfs/dbraw/zinc/79/09/77/802790977.db2.gz DJQFOYSNJONPFX-LBPRGKRZSA-N 1 1 286.404 3.064 20 30 CGEDMO N#CC1(N[C@H]2CCC[N@H+](C3CCCC3)C2)CCCCC1 ZINC001256899262 807003040 /nfs/dbraw/zinc/00/30/40/807003040.db2.gz DLSSMNCBRWQIAN-HNNXBMFYSA-N 1 1 275.440 3.209 20 30 CGEDMO N#C[C@H](N[C@@H]1CCC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC001256898436 807003073 /nfs/dbraw/zinc/00/30/73/807003073.db2.gz ZWQZRTDDORGXRG-AEFFLSMTSA-N 1 1 283.419 3.248 20 30 CGEDMO COc1ccc(-c2ccc3c(c2)CC[N@H+](C)C3)c(C#N)c1 ZINC001243731346 802970522 /nfs/dbraw/zinc/97/05/22/802970522.db2.gz UBNCGKQTZIXCCT-UHFFFAOYSA-N 1 1 278.355 3.222 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)F)CC[C@H]1C ZINC001131742791 803340531 /nfs/dbraw/zinc/34/05/31/803340531.db2.gz HOSDSCAHWTXCNZ-CABCVRRESA-N 1 1 298.446 3.450 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)c2ccccc2)CC[C@@H]1C ZINC001131750863 803341218 /nfs/dbraw/zinc/34/12/18/803341218.db2.gz BNVSCZMBIVUWNH-DOTOQJQBSA-N 1 1 286.419 3.236 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccsc2)CC[C@@H]1C ZINC001131796422 803346828 /nfs/dbraw/zinc/34/68/28/803346828.db2.gz FMOCDVYMITZRFY-ZFWWWQNUSA-N 1 1 292.448 3.297 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)/C=C\C(C)(C)C)CC[C@H]1C ZINC001131912081 803357951 /nfs/dbraw/zinc/35/79/51/803357951.db2.gz RQSRCHZDLKOZFF-KMUBWGIJSA-N 1 1 278.440 3.134 20 30 CGEDMO CC#CC[N@H+]1C[C@H](NC(=O)CCCC(C)(C)C)CC[C@@H]1C ZINC001131943065 803359640 /nfs/dbraw/zinc/35/96/40/803359640.db2.gz JMNMVTAHTVKGQR-JKSUJKDBSA-N 1 1 292.467 3.195 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C=C(CC)CC)CC[C@@H]1C ZINC001131989164 803364053 /nfs/dbraw/zinc/36/40/53/803364053.db2.gz UPUBAONNEDWLPH-HOCLYGCPSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)CC(C)(C)C2CC2)CC[C@H]1C ZINC001132006191 803365752 /nfs/dbraw/zinc/36/57/52/803365752.db2.gz HDKTZWFMPXYLLW-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)CC(C)(C)CC)CC[C@@H]1C ZINC001132054914 803369937 /nfs/dbraw/zinc/36/99/37/803369937.db2.gz UWWYPKYHTWFKEA-GJZGRUSLSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)C(C)=C2CCC2)CC[C@@H]1C ZINC001132047393 803370248 /nfs/dbraw/zinc/37/02/48/803370248.db2.gz WVIQGDPBSZCNQY-WMLDXEAASA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC=C(C)C)C1 ZINC001132071478 803370880 /nfs/dbraw/zinc/37/08/80/803370880.db2.gz BDFAIMFAKSOFNA-HOTGVXAUSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[C@H](C)[N@H+](CC2CCC2)C1 ZINC001132060736 803371319 /nfs/dbraw/zinc/37/13/19/803371319.db2.gz KKPMQLQBAZMSMS-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC2CCC2)C1 ZINC001132060735 803372236 /nfs/dbraw/zinc/37/22/36/803372236.db2.gz KKPMQLQBAZMSMS-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)C2(C3CC3)CC2)CC[C@@H]1C ZINC001132119692 803374544 /nfs/dbraw/zinc/37/45/44/803374544.db2.gz GYLARFKNWQXSJX-GOEBONIOSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](C/C=C\Cl)C1 ZINC001132222270 803380197 /nfs/dbraw/zinc/38/01/97/803380197.db2.gz VVWXTVLMUCPVAO-UMBVUCBTSA-N 1 1 298.858 3.310 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](C/C=C\Cl)C1 ZINC001132222270 803380201 /nfs/dbraw/zinc/38/02/01/803380201.db2.gz VVWXTVLMUCPVAO-UMBVUCBTSA-N 1 1 298.858 3.310 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)CCCC#CC)CC[C@@H]1C ZINC001132235520 803383606 /nfs/dbraw/zinc/38/36/06/803383606.db2.gz ORYOCLVPTKLHFP-DLBZAZTESA-N 1 1 290.451 3.115 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)C(C)(C)C2CC2)CC[C@H]1C ZINC001132236920 803384019 /nfs/dbraw/zinc/38/40/19/803384019.db2.gz ASLWUVBNPUQLNO-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](C/C=C/Cl)C1 ZINC001132249090 803387324 /nfs/dbraw/zinc/38/73/24/803387324.db2.gz LKNGHCLGVORNDA-FLEJHELKSA-N 1 1 284.831 3.064 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](C/C=C/Cl)C1 ZINC001132249090 803387329 /nfs/dbraw/zinc/38/73/29/803387329.db2.gz LKNGHCLGVORNDA-FLEJHELKSA-N 1 1 284.831 3.064 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CCCC)C1 ZINC001132255625 803389149 /nfs/dbraw/zinc/38/91/49/803389149.db2.gz BXYUVTAFFRIOIB-GJZGRUSLSA-N 1 1 266.429 3.112 20 30 CGEDMO C=CCCC1(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC(C)C)C2)CC1 ZINC001132278026 803390772 /nfs/dbraw/zinc/39/07/72/803390772.db2.gz LHWINJLBBBXDRH-HZPDHXFCSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[C@H](C)[N@H+](CC(=C)C)C2)CCC1 ZINC001132283477 803392668 /nfs/dbraw/zinc/39/26/68/803392668.db2.gz XXHNMPKLPQXPRZ-HOTGVXAUSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(C)C)C1 ZINC001132331911 803396149 /nfs/dbraw/zinc/39/61/49/803396149.db2.gz QCHGPQFWLFJYII-CABCVRRESA-N 1 1 280.456 3.214 20 30 CGEDMO C#CC[N@H+]1C[C@@H](NC(=O)CCCCCC(C)C)CC[C@@H]1C ZINC001132339794 803397743 /nfs/dbraw/zinc/39/77/43/803397743.db2.gz JRJJISSKPWXIEB-IRXDYDNUSA-N 1 1 292.467 3.195 20 30 CGEDMO C#CC[N@@H+]1C[C@H](NC(=O)C(C)(C)CCCCC)CC[C@@H]1C ZINC001132500246 803409342 /nfs/dbraw/zinc/40/93/42/803409342.db2.gz OGDRRFHMVXFVMH-JKSUJKDBSA-N 1 1 292.467 3.195 20 30 CGEDMO C#CC[N@H+]1C[C@H](NC(=O)C(C)(C)CCCCC)CC[C@@H]1C ZINC001132500246 803409346 /nfs/dbraw/zinc/40/93/46/803409346.db2.gz OGDRRFHMVXFVMH-JKSUJKDBSA-N 1 1 292.467 3.195 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2c[nH]c3c2cccc3F)CC1 ZINC001137057680 803677568 /nfs/dbraw/zinc/67/75/68/803677568.db2.gz LZLKDTPRQNGVHI-GFCCVEGCSA-N 1 1 271.339 3.433 20 30 CGEDMO Cc1cccc2c1C[N@@H+](Cc1ccc(OCC#N)cc1)C2 ZINC001137115498 803685008 /nfs/dbraw/zinc/68/50/08/803685008.db2.gz REYIVUCFHKUPQC-UHFFFAOYSA-N 1 1 278.355 3.413 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc3cc(C)ccc3n2)C1 ZINC001137216906 803698615 /nfs/dbraw/zinc/69/86/15/803698615.db2.gz BGFRQXQNBMBTPY-OAHLLOKOSA-N 1 1 264.372 3.388 20 30 CGEDMO COc1ccc(C[N@@H+](C)CCc2ccccc2F)c(C#N)c1 ZINC001137706316 803762050 /nfs/dbraw/zinc/76/20/50/803762050.db2.gz WWODYCIKKJANRN-UHFFFAOYSA-N 1 1 298.361 3.380 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2c(C)n(C)c3ccccc32)C1 ZINC001138257985 803884161 /nfs/dbraw/zinc/88/41/61/803884161.db2.gz GRUZXESURVHBLR-HNNXBMFYSA-N 1 1 266.388 3.332 20 30 CGEDMO N#CCC[N@@H+](Cc1cccc2nccnc12)C1CCCC1 ZINC001138302903 803890032 /nfs/dbraw/zinc/89/00/32/803890032.db2.gz DAOSLPVBPNDMBK-UHFFFAOYSA-N 1 1 280.375 3.288 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1OC ZINC001138341690 803898255 /nfs/dbraw/zinc/89/82/55/803898255.db2.gz UFYBSZMDTKPFPQ-GASCZTMLSA-N 1 1 287.403 3.470 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1OC ZINC001138342684 803899005 /nfs/dbraw/zinc/89/90/05/803899005.db2.gz ASGNJZHJKZPRNS-CALCHBBNSA-N 1 1 299.414 3.329 20 30 CGEDMO C#CCOc1ccc(C[N@H+](C)CCCCC)cc1OC ZINC001138341121 803899021 /nfs/dbraw/zinc/89/90/21/803899021.db2.gz ICASMYVWUTXIFG-UHFFFAOYSA-N 1 1 275.392 3.329 20 30 CGEDMO C#CC[N@H+](C)Cc1c(OCC)ccc2ccccc21 ZINC001138444645 803938266 /nfs/dbraw/zinc/93/82/66/803938266.db2.gz ZOXQRWLFTIWMMX-UHFFFAOYSA-N 1 1 253.345 3.304 20 30 CGEDMO C#CCOc1ccc(C[N@@H+](CCC)CC2CC2)cc1 ZINC001138554820 803967084 /nfs/dbraw/zinc/96/70/84/803967084.db2.gz GOFWODPXRSPUFE-UHFFFAOYSA-N 1 1 257.377 3.321 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)c1O ZINC001138625440 803982748 /nfs/dbraw/zinc/98/27/48/803982748.db2.gz KXFBYLSNVNTLIY-YOEHRIQHSA-N 1 1 287.403 3.122 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CCCO[C@@H](C)C1 ZINC001138663295 803996372 /nfs/dbraw/zinc/99/63/72/803996372.db2.gz RQCNMYUZEHQOEW-HNNXBMFYSA-N 1 1 275.392 3.252 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CC[C@](C)(O)[C@@H](C)C1 ZINC001138662401 803996770 /nfs/dbraw/zinc/99/67/70/803996770.db2.gz WYTUGHJGKSDXHG-YJBOKZPZSA-N 1 1 289.419 3.234 20 30 CGEDMO CCCCCCCC[C@H](O)CN(C)[C@@H]1CCCC[C@H]1[NH3+] ZINC001246059878 804105063 /nfs/dbraw/zinc/10/50/63/804105063.db2.gz CBNLYXVKYNJHHY-GVDBMIGSSA-N 1 1 284.488 3.300 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@H]1CN ZINC001246055016 804105088 /nfs/dbraw/zinc/10/50/88/804105088.db2.gz JTUPNRDHUKMDKH-DLBZAZTESA-N 1 1 284.488 3.301 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[N@H+]1CCC[C@H]1CN ZINC001246055016 804105089 /nfs/dbraw/zinc/10/50/89/804105089.db2.gz JTUPNRDHUKMDKH-DLBZAZTESA-N 1 1 284.488 3.301 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)ccn1 ZINC001139562105 804210917 /nfs/dbraw/zinc/21/09/17/804210917.db2.gz HXIDOQPWKRNZGW-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(Cl)ccn1 ZINC001139562105 804210923 /nfs/dbraw/zinc/21/09/23/804210923.db2.gz HXIDOQPWKRNZGW-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO CCCCCCCC[C@@H](CCC)[NH2+][C@@H]1CCNC[C@@H]1O ZINC001246228399 804220883 /nfs/dbraw/zinc/22/08/83/804220883.db2.gz VZLCZLKUCJGLOC-ZACQAIPSSA-N 1 1 284.488 3.218 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H]2Cc2ccccn2)c1 ZINC001139651551 804244352 /nfs/dbraw/zinc/24/43/52/804244352.db2.gz PNZBKOPUIBOZKS-KRWDZBQOSA-N 1 1 295.361 3.299 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2c[nH]c3c2cccc3C#N)C1 ZINC001139701893 804258762 /nfs/dbraw/zinc/25/87/62/804258762.db2.gz RVSDRQVRHVGVGE-GFCCVEGCSA-N 1 1 253.349 3.271 20 30 CGEDMO COc1ccc2c(c1)CC[N@@H+](Cc1ccc(C)c(C#N)c1)C2 ZINC001139723171 804266880 /nfs/dbraw/zinc/26/68/80/804266880.db2.gz TXXOVWFTMNOJJI-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO COc1ccc2c(c1)CC[N@H+](Cc1ccc(C)c(C#N)c1)C2 ZINC001139723171 804266885 /nfs/dbraw/zinc/26/68/85/804266885.db2.gz TXXOVWFTMNOJJI-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO C=CC[N@@H+](Cc1cnc2c(c1)OCCO2)C1CCCCC1 ZINC001139737494 804269280 /nfs/dbraw/zinc/26/92/80/804269280.db2.gz NUMBWABOQVDPQM-UHFFFAOYSA-N 1 1 288.391 3.174 20 30 CGEDMO C=CCn1cc(C[N@@H+]2CC[C@H]2c2ccccc2)cn1 ZINC001139772550 804278632 /nfs/dbraw/zinc/27/86/32/804278632.db2.gz KFIXBBKKVQMAOQ-INIZCTEOSA-N 1 1 253.349 3.016 20 30 CGEDMO C=CCn1cc(C[N@H+]2CC[C@H]2c2ccccc2)cn1 ZINC001139772550 804278637 /nfs/dbraw/zinc/27/86/37/804278637.db2.gz KFIXBBKKVQMAOQ-INIZCTEOSA-N 1 1 253.349 3.016 20 30 CGEDMO CCCCCCCCC[C@@H](C)[NH2+][C@H]1CCNC[C@H]1OC ZINC001246352733 804299486 /nfs/dbraw/zinc/29/94/86/804299486.db2.gz ZETXVLALQYYIGO-IXDOHACOSA-N 1 1 284.488 3.482 20 30 CGEDMO Cc1ncccc1C[N@H+](C)Cc1cc(F)cc(C#N)c1 ZINC001139878176 804308697 /nfs/dbraw/zinc/30/86/97/804308697.db2.gz CPXCQEABHRZEFT-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO Cc1ncccc1C[N@@H+](C)Cc1cc(F)cc(C#N)c1 ZINC001139878176 804308707 /nfs/dbraw/zinc/30/87/07/804308707.db2.gz CPXCQEABHRZEFT-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO N#Cc1ccc2[nH]cc(C[N@H+]3CC[C@]4(C3)CCCCO4)c2c1 ZINC001140110254 804379631 /nfs/dbraw/zinc/37/96/31/804379631.db2.gz HHVXNKOCUOTAGC-SFHVURJKSA-N 1 1 295.386 3.185 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1F)C1CCN(C)CC1 ZINC001140140242 804386960 /nfs/dbraw/zinc/38/69/60/804386960.db2.gz XWUNTDUDWWHCTA-UHFFFAOYSA-N 1 1 289.398 3.002 20 30 CGEDMO CC(C)N(Cc1ccc(C#N)cc1F)C1CC[NH+](C)CC1 ZINC001140140242 804386969 /nfs/dbraw/zinc/38/69/69/804386969.db2.gz XWUNTDUDWWHCTA-UHFFFAOYSA-N 1 1 289.398 3.002 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@@H](C#N)CC2)c(C)cc1O ZINC001140201405 804400724 /nfs/dbraw/zinc/40/07/24/804400724.db2.gz KNJYYMGORJWISI-CQSZACIVSA-N 1 1 258.365 3.135 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3C[C@H](C)CC[C@H]3CN)C[C@H](C1)C2 ZINC001246553040 804402301 /nfs/dbraw/zinc/40/23/01/804402301.db2.gz ALKYTQTYPAWRMX-GBZVZXMBSA-N 1 1 262.441 3.181 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc(-c3cncnc3)cc2)C1 ZINC001140356101 804423470 /nfs/dbraw/zinc/42/34/70/804423470.db2.gz RWWPGLHAHAILKI-OAHLLOKOSA-N 1 1 292.386 3.269 20 30 CGEDMO N#Cc1cc(Nc2ccc[nH+]c2N)cc(C(F)(F)F)c1 ZINC001212404082 815019039 /nfs/dbraw/zinc/01/90/39/815019039.db2.gz KZWWIEKIXHSHQI-UHFFFAOYSA-N 1 1 278.237 3.298 20 30 CGEDMO CCCCCCC[C@H](C)N1CCNC[C@@]2(CCCC[NH2+]2)C1 ZINC001246621532 804455420 /nfs/dbraw/zinc/45/54/20/804455420.db2.gz CRVXWLVSJGCQHQ-ROUUACIJSA-N 1 1 295.515 3.153 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@H]2c2cccnc2)cn1 ZINC001140543432 804458058 /nfs/dbraw/zinc/45/80/58/804458058.db2.gz OLLVTBWBEDQGRY-KRWDZBQOSA-N 1 1 278.359 3.075 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCC[C@H]2c2cccnc2)cn1 ZINC001140543432 804458061 /nfs/dbraw/zinc/45/80/61/804458061.db2.gz OLLVTBWBEDQGRY-KRWDZBQOSA-N 1 1 278.359 3.075 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)cn1 ZINC001140547066 804458135 /nfs/dbraw/zinc/45/81/35/804458135.db2.gz GWJBSAIKKWUGGA-GOSISDBHSA-N 1 1 295.361 3.299 20 30 CGEDMO C[C@@]1(CF)CC[N@@H+](Cc2cc(C#N)ccc2Cl)C1 ZINC001140600458 804471486 /nfs/dbraw/zinc/47/14/86/804471486.db2.gz KNZDSLZQPYCOJJ-AWEZNQCLSA-N 1 1 266.747 3.393 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2ccc(OC(F)F)c(O)c2)CC1 ZINC001140629482 804478282 /nfs/dbraw/zinc/47/82/82/804478282.db2.gz XHOZXFSYTUHDDU-LLVKDONJSA-N 1 1 296.317 3.119 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@@H]2OCCN[C@H]2C1 ZINC001246655327 804480296 /nfs/dbraw/zinc/48/02/96/804480296.db2.gz HFQGEWMRJFRXEL-ULQDDVLXSA-N 1 1 282.472 3.188 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@@H](C#N)CC2)cc(C)c1O ZINC001140658943 804485502 /nfs/dbraw/zinc/48/55/02/804485502.db2.gz HCPXRSHDCLDHKT-CQSZACIVSA-N 1 1 258.365 3.135 20 30 CGEDMO CCCCCCC[C@H](CC(C)C)[N@H+]1CCNC[C@H]1CO ZINC001246694461 804499172 /nfs/dbraw/zinc/49/91/72/804499172.db2.gz IKHNGIVAYNVGJM-SJORKVTESA-N 1 1 284.488 3.028 20 30 CGEDMO Cc1c(O)ccc(C[N@@H+](CCC#N)C2CCCC2)c1O ZINC001140745271 804502844 /nfs/dbraw/zinc/50/28/44/804502844.db2.gz CQXLDZSZPWQBJL-UHFFFAOYSA-N 1 1 274.364 3.065 20 30 CGEDMO N#Cc1c(F)cc(C[N@H+]2CCC[C@H](C(F)F)C2)cc1F ZINC001140754044 804506376 /nfs/dbraw/zinc/50/63/76/804506376.db2.gz NKXRZBQAOATBAR-JTQLQIEISA-N 1 1 286.272 3.314 20 30 CGEDMO N#Cc1c(F)cc(C[N@@H+]2CCC[C@H](C(F)F)C2)cc1F ZINC001140754044 804506380 /nfs/dbraw/zinc/50/63/80/804506380.db2.gz NKXRZBQAOATBAR-JTQLQIEISA-N 1 1 286.272 3.314 20 30 CGEDMO N#C[C@H]1CCCN([C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256920405 807011702 /nfs/dbraw/zinc/01/17/02/807011702.db2.gz KXEADZQCLNEFEU-RDJZCZTQSA-N 1 1 275.440 3.019 20 30 CGEDMO CC(C)[N@@H+](C)[C@H]1CCN(Cc2cccc(C#N)c2Cl)C1 ZINC001140812807 804526390 /nfs/dbraw/zinc/52/63/90/804526390.db2.gz LUZFFPQNVIXSMQ-HNNXBMFYSA-N 1 1 291.826 3.126 20 30 CGEDMO Cc1c[nH]c(C[N@H+](C)Cc2cccc(C#N)c2)c1C ZINC001140864462 804537194 /nfs/dbraw/zinc/53/71/94/804537194.db2.gz SRMSCNRUNRCUEF-UHFFFAOYSA-N 1 1 253.349 3.135 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H]1CCN[C@H](c2ccccc2)C1 ZINC001246856089 804564462 /nfs/dbraw/zinc/56/44/62/804564462.db2.gz YWRPJYCYPCFYMI-SJORKVTESA-N 1 1 258.409 3.378 20 30 CGEDMO CCCCCCCCC[C@@H](C)[N@H+]1CCN[C@@H](CCO)C1 ZINC001246877581 804576416 /nfs/dbraw/zinc/57/64/16/804576416.db2.gz WFNJPOIDNNBPBF-SJORKVTESA-N 1 1 284.488 3.172 20 30 CGEDMO CCCCCCCCC[C@@H](C)N1CC[NH2+][C@@H](CCO)C1 ZINC001246877581 804576423 /nfs/dbraw/zinc/57/64/23/804576423.db2.gz WFNJPOIDNNBPBF-SJORKVTESA-N 1 1 284.488 3.172 20 30 CGEDMO N#Cc1c(N)sc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)c1Cl ZINC001141106544 804590178 /nfs/dbraw/zinc/59/01/78/804590178.db2.gz BPALWNQJKZNZTC-UWVGGRQHSA-N 1 1 295.839 3.477 20 30 CGEDMO CC[C@H](C)[N@@H+](C)Cc1sc(N)c(C#N)c1Cl ZINC001141108949 804592278 /nfs/dbraw/zinc/59/22/78/804592278.db2.gz DRLFZZULYKQQBX-ZETCQYMHSA-N 1 1 257.790 3.086 20 30 CGEDMO C=CC[N@H+](C)Cc1cc(C(F)(F)F)ccc1OC ZINC001141202393 804610229 /nfs/dbraw/zinc/61/02/29/804610229.db2.gz FLGRFSXERMPZID-UHFFFAOYSA-N 1 1 259.271 3.332 20 30 CGEDMO C=CC[NH2+]Cc1nc2ccc(SCCC)cc2[nH]1 ZINC001247020355 804645586 /nfs/dbraw/zinc/64/55/86/804645586.db2.gz PNNYUAHEJFRJCW-UHFFFAOYSA-N 1 1 261.394 3.341 20 30 CGEDMO C=CC1(CC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CCCCC1 ZINC001141750725 804667973 /nfs/dbraw/zinc/66/79/73/804667973.db2.gz SLCDSWZVQLLMNN-HOTGVXAUSA-N 1 1 290.451 3.256 20 30 CGEDMO CSc1nc(C[N@H+]2CCCC[C@@H](C)C2)ccc1C#N ZINC001141929207 804680374 /nfs/dbraw/zinc/68/03/74/804680374.db2.gz PPYZJGAKOGIGJE-GFCCVEGCSA-N 1 1 275.421 3.297 20 30 CGEDMO CSc1nc(C[N@H+]2CCC[C@@H](C)CC2)ccc1C#N ZINC001141932099 804680621 /nfs/dbraw/zinc/68/06/21/804680621.db2.gz SSKHFPHWCBGIDE-GFCCVEGCSA-N 1 1 275.421 3.297 20 30 CGEDMO CSc1nc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)ccc1C#N ZINC001141941807 804680632 /nfs/dbraw/zinc/68/06/32/804680632.db2.gz YVBQRRABQUHCPP-DOMZBBRYSA-N 1 1 287.432 3.440 20 30 CGEDMO CSc1nc(C[N@H+]2CCC23CCCC3)ccc1C#N ZINC001141932158 804680943 /nfs/dbraw/zinc/68/09/43/804680943.db2.gz UJVXTNZLRYVJIV-UHFFFAOYSA-N 1 1 273.405 3.194 20 30 CGEDMO CSc1nc(C[NH+]2CC3(C2)CCCCC3)ccc1C#N ZINC001141943798 804681989 /nfs/dbraw/zinc/68/19/89/804681989.db2.gz KVVNSJXLYAQEQF-UHFFFAOYSA-N 1 1 287.432 3.441 20 30 CGEDMO CCCc1ccc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)cc1 ZINC001142353927 804717663 /nfs/dbraw/zinc/71/76/63/804717663.db2.gz FBTZFKDNDZVBMR-INIZCTEOSA-N 1 1 287.428 3.413 20 30 CGEDMO CCCc1ccc(C[N@@H+]2CCC3SC(=O)C=C3C2)cc1 ZINC001142353927 804717664 /nfs/dbraw/zinc/71/76/64/804717664.db2.gz FBTZFKDNDZVBMR-INIZCTEOSA-N 1 1 287.428 3.413 20 30 CGEDMO CCCc1ccc(C[N@H+]2CCC3SC(=O)C=C3C2)cc1 ZINC001142353927 804717668 /nfs/dbraw/zinc/71/76/68/804717668.db2.gz FBTZFKDNDZVBMR-INIZCTEOSA-N 1 1 287.428 3.413 20 30 CGEDMO CC[C@@H]([NH3+])c1nc(-c2ccc(C#N)c3ccccc23)no1 ZINC001247491086 804749863 /nfs/dbraw/zinc/74/98/63/804749863.db2.gz KKLIMKMNGGJKGD-CQSZACIVSA-N 1 1 278.315 3.171 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cc(F)c(C)c(F)c2)no1 ZINC001247622078 804782961 /nfs/dbraw/zinc/78/29/61/804782961.db2.gz FKTWXMKVVKMUDK-GFCCVEGCSA-N 1 1 279.290 3.289 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2ccc3c(c2)C(=O)CCC3)no1 ZINC001247623340 804784155 /nfs/dbraw/zinc/78/41/55/804784155.db2.gz ZVKWPDFMJGQYIE-AWEZNQCLSA-N 1 1 297.358 3.222 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2cccc(OC(F)F)c2)no1 ZINC001247622957 804784845 /nfs/dbraw/zinc/78/48/45/804784845.db2.gz SVGPJCZQRQSZML-NSHDSACASA-N 1 1 295.289 3.304 20 30 CGEDMO C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143172689 804814309 /nfs/dbraw/zinc/81/43/09/804814309.db2.gz BPECVTSMCBDPPQ-WDEREUQCSA-N 1 1 264.319 3.457 20 30 CGEDMO C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143172689 804814317 /nfs/dbraw/zinc/81/43/17/804814317.db2.gz BPECVTSMCBDPPQ-WDEREUQCSA-N 1 1 264.319 3.457 20 30 CGEDMO Cc1cc(C[N@@H+]2CCC[C@H](C#N)CC2)cc(F)c1F ZINC001143606457 804874515 /nfs/dbraw/zinc/87/45/15/804874515.db2.gz CHBGSCFDWUDRCL-LBPRGKRZSA-N 1 1 264.319 3.399 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@H](C#N)CC2)cc(F)c1F ZINC001143606457 804874521 /nfs/dbraw/zinc/87/45/21/804874521.db2.gz CHBGSCFDWUDRCL-LBPRGKRZSA-N 1 1 264.319 3.399 20 30 CGEDMO COC[C@H]1CC[N@H+]1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257023038 807029409 /nfs/dbraw/zinc/02/94/09/807029409.db2.gz TWKRSPPLWGJNRC-DAWZGUTISA-N 1 1 284.403 3.305 20 30 CGEDMO CC(=O)[C@@H]1CC[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257022700 807030076 /nfs/dbraw/zinc/03/00/76/807030076.db2.gz QCAHVHULHDBTDF-JLAWEPINSA-N 1 1 296.414 3.495 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)Cc1cncc(C#N)c1 ZINC001144083586 804934739 /nfs/dbraw/zinc/93/47/39/804934739.db2.gz KVKHTLSRIGRKFD-UHFFFAOYSA-N 1 1 263.344 3.141 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cncc(C#N)c1 ZINC001144083586 804934745 /nfs/dbraw/zinc/93/47/45/804934745.db2.gz KVKHTLSRIGRKFD-UHFFFAOYSA-N 1 1 263.344 3.141 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cn1)C12CC3CC(CC(C3)C1)C2 ZINC001144160418 804947230 /nfs/dbraw/zinc/94/72/30/804947230.db2.gz JUDHPFGECSAQOE-UHFFFAOYSA-N 1 1 281.403 3.354 20 30 CGEDMO C#CC[N@H+](C)Cc1cc(OC(C)C)cc(OC(C)C)c1 ZINC001248658644 804963619 /nfs/dbraw/zinc/96/36/19/804963619.db2.gz PFGKAZROBCTBGB-UHFFFAOYSA-N 1 1 275.392 3.326 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CC(C)(C)C[C@@]1(C)CO ZINC001248748382 804982859 /nfs/dbraw/zinc/98/28/59/804982859.db2.gz HRTVGJLXRUIUJM-SFHVURJKSA-N 1 1 286.419 3.104 20 30 CGEDMO CCc1cc(C#N)ccc1CN1CCC([N@@H+](C)C2CC2)CC1 ZINC001248752560 804984162 /nfs/dbraw/zinc/98/41/62/804984162.db2.gz QMZYVMPQRAIDFG-UHFFFAOYSA-N 1 1 297.446 3.179 20 30 CGEDMO COc1cc(Cl)cc(C[NH+]2CCC(C#N)CC2)c1 ZINC001144479381 804993132 /nfs/dbraw/zinc/99/31/32/804993132.db2.gz VPKDJAYQGMDKIJ-UHFFFAOYSA-N 1 1 264.756 3.084 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2C[C@@H](CF)[C@H](C(F)(F)F)C2)cc1 ZINC001144567767 805007249 /nfs/dbraw/zinc/00/72/49/805007249.db2.gz ARUJXXVIGXZAPZ-ZIAGYGMSSA-N 1 1 285.284 3.248 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc3scnc3c2)C1 ZINC001144743664 805051247 /nfs/dbraw/zinc/05/12/47/805051247.db2.gz UVQDQAPFDATQIP-LBPRGKRZSA-N 1 1 256.374 3.142 20 30 CGEDMO C=CC[N@@H+](Cc1nc(C)cc(C)n1)C1CCCCC1 ZINC001248983048 805067066 /nfs/dbraw/zinc/06/70/66/805067066.db2.gz RKPQHXJSJCBICZ-UHFFFAOYSA-N 1 1 259.397 3.414 20 30 CGEDMO C=CC[N@H+](Cc1nc(C)cc(C)n1)C1CCCCC1 ZINC001248983048 805067076 /nfs/dbraw/zinc/06/70/76/805067076.db2.gz RKPQHXJSJCBICZ-UHFFFAOYSA-N 1 1 259.397 3.414 20 30 CGEDMO Cc1ccc(C[N@@H+](C)Cc2cnn3ccc(C#N)cc23)cc1 ZINC001249100167 805091610 /nfs/dbraw/zinc/09/16/10/805091610.db2.gz ZLKSLALWMBFCTD-UHFFFAOYSA-N 1 1 290.370 3.146 20 30 CGEDMO CCCCCCC[N@H+]1CCC2(CN(C(=O)C3CCC3)C2)C1 ZINC001146872367 805094822 /nfs/dbraw/zinc/09/48/22/805094822.db2.gz YGPONBVLTNYGDI-UHFFFAOYSA-N 1 1 292.467 3.291 20 30 CGEDMO CCCCCCC[N@H+]1CCC2(CN(C(=O)CCC)C2)C1 ZINC001146875560 805094844 /nfs/dbraw/zinc/09/48/44/805094844.db2.gz GJBLAXLGWCFGNC-UHFFFAOYSA-N 1 1 280.456 3.291 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)C[C@@H](C)C(C)C)C2)C1 ZINC001147246025 805117992 /nfs/dbraw/zinc/11/79/92/805117992.db2.gz PRFFQMCAZVWNMX-MRXNPFEDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cnc(C)nc1C(F)(F)F ZINC001249400329 805138659 /nfs/dbraw/zinc/13/86/59/805138659.db2.gz RCPLUYACCVZWKL-UHFFFAOYSA-N 1 1 273.302 3.202 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2cc3ccc(C#N)cc3[nH]2)[C@H](C)C1 ZINC001249430827 805148497 /nfs/dbraw/zinc/14/84/97/805148497.db2.gz IDXBFAXFKCTMQE-WBMJQRKESA-N 1 1 283.375 3.039 20 30 CGEDMO CCCCCCC[N@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC001249482870 805158533 /nfs/dbraw/zinc/15/85/33/805158533.db2.gz AEMIJGAANFKUSS-UHFFFAOYSA-N 1 1 266.433 3.435 20 30 CGEDMO CCCCCCC[N@@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC001249482870 805158538 /nfs/dbraw/zinc/15/85/38/805158538.db2.gz AEMIJGAANFKUSS-UHFFFAOYSA-N 1 1 266.433 3.435 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC2(CN(C(=O)[C@@H](F)CC)C2)C1 ZINC001148045656 805160150 /nfs/dbraw/zinc/16/01/50/805160150.db2.gz PCVZFHBBWUQONO-HNNXBMFYSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CC2(C1)CC[N@H+](C[C@@H](C)CC)C2 ZINC001148131948 805164002 /nfs/dbraw/zinc/16/40/02/805164002.db2.gz WVSOXQMAZAKLIN-HOTGVXAUSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)C3(CCC)CCC3)C2)C1 ZINC001148138639 805164201 /nfs/dbraw/zinc/16/42/01/805164201.db2.gz XIYZXYSBNCIXHA-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC2(C1)CC[N@H+](C[C@H](C)CC)C2 ZINC001148126531 805164366 /nfs/dbraw/zinc/16/43/66/805164366.db2.gz ZLMGJHYZKLYDGN-CVEARBPZSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@@H](C)CC(C)(C)C)C2)C1 ZINC001148390621 805178729 /nfs/dbraw/zinc/17/87/29/805178729.db2.gz HNMVBQIEUACJRF-HNNXBMFYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)CCC(C)(C)C)C2)C1 ZINC001148472124 805184846 /nfs/dbraw/zinc/18/48/46/805184846.db2.gz XDYREHLFTRAKFJ-UHFFFAOYSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)CCC(C)(C)C)C2)C1 ZINC001148472124 805184850 /nfs/dbraw/zinc/18/48/50/805184850.db2.gz XDYREHLFTRAKFJ-UHFFFAOYSA-N 1 1 298.858 3.100 20 30 CGEDMO C=CC[N@@H+]1CCC2(CN(C(=O)[C@H](F)CCCCCC)C2)C1 ZINC001148611922 805199650 /nfs/dbraw/zinc/19/96/50/805199650.db2.gz RWZUXRINVSQMPI-OAHLLOKOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)CCCCCC)C2)C1 ZINC001148699840 805205331 /nfs/dbraw/zinc/20/53/31/805205331.db2.gz LEHOBNPGXALTGI-UHFFFAOYSA-N 1 1 298.858 3.244 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)CCCCCC)C2)C1 ZINC001148699840 805205336 /nfs/dbraw/zinc/20/53/36/805205336.db2.gz LEHOBNPGXALTGI-UHFFFAOYSA-N 1 1 298.858 3.244 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]2Cc2ccccn2)c1F ZINC001249685519 805210563 /nfs/dbraw/zinc/21/05/63/805210563.db2.gz LZEZUEABPYJVPE-KRWDZBQOSA-N 1 1 295.361 3.299 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2oc(C)cc2c1 ZINC001150748482 805267413 /nfs/dbraw/zinc/26/74/13/805267413.db2.gz CNQFSFSPEDJGSM-INIZCTEOSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)c1sccc1C ZINC001151644135 805303215 /nfs/dbraw/zinc/30/32/15/805303215.db2.gz NTQRPZHNDBOVGS-CQSZACIVSA-N 1 1 294.464 3.463 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)CCCC ZINC001152083604 805333681 /nfs/dbraw/zinc/33/36/81/805333681.db2.gz QXCDBXKBEBCCPA-CABCVRRESA-N 1 1 268.445 3.215 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)C1C(C)(C)C1(C)C ZINC001152611635 805358102 /nfs/dbraw/zinc/35/81/02/805358102.db2.gz JEEJJDJHXQTWMR-CQSZACIVSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1sc(C)cc1C ZINC001153613227 805406857 /nfs/dbraw/zinc/40/68/57/805406857.db2.gz YLNJEDSQVTZDNP-CYBMUJFWSA-N 1 1 294.464 3.381 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H](C)[N@@H+](CC)CC[C@H](C)F ZINC001153608278 805407251 /nfs/dbraw/zinc/40/72/51/805407251.db2.gz FABAEVYKWDFMBQ-UONOGXRCSA-N 1 1 286.435 3.163 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1cscc1Cl ZINC001153926623 805422264 /nfs/dbraw/zinc/42/22/64/805422264.db2.gz RVLSZZJMXPWKLB-SNVBAGLBSA-N 1 1 286.828 3.028 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)C(C)(C)C ZINC001154025065 805427327 /nfs/dbraw/zinc/42/73/27/805427327.db2.gz FUDJKJMWCMIWIT-ZIAGYGMSSA-N 1 1 268.445 3.071 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)C(C)(C)C ZINC001154025632 805427609 /nfs/dbraw/zinc/42/76/09/805427609.db2.gz IIIHSSTVWDKRBE-CABCVRRESA-N 1 1 282.472 3.461 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001154415063 805455342 /nfs/dbraw/zinc/45/53/42/805455342.db2.gz HIAZAMCRSWMJBZ-VQHPVUNQSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1cc2ccc(C)cc2[nH]1 ZINC001154504894 805460366 /nfs/dbraw/zinc/46/03/66/805460366.db2.gz CZLMSTZWGHEEKR-CQSZACIVSA-N 1 1 299.418 3.103 20 30 CGEDMO C#CCCCCCC(=O)NC[C@@H](C)[N@@H+](CC)C/C=C\Cl ZINC001154609571 805467364 /nfs/dbraw/zinc/46/73/64/805467364.db2.gz NDDNXMLNRZQYQV-KUGGDMIFSA-N 1 1 298.858 3.149 20 30 CGEDMO C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1C ZINC001154625856 805468913 /nfs/dbraw/zinc/46/89/13/805468913.db2.gz KBILPSIGPHHTMV-BZUAXINKSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1C[C@@H]1C ZINC001154671528 805476740 /nfs/dbraw/zinc/47/67/40/805476740.db2.gz KBILPSIGPHHTMV-XHSDSOJGSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC1(C(=O)NC[C@@H](C)[N@H+](CC)CCCC)CC1 ZINC001155036982 805527856 /nfs/dbraw/zinc/52/78/56/805527856.db2.gz LTBKETLTKSUAAX-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H](C)[N@@H+](CC)C/C=C\Cl)CCC1 ZINC001155051678 805529083 /nfs/dbraw/zinc/52/90/83/805529083.db2.gz YIRRBFMFYCIIBM-SMJHDNPOSA-N 1 1 298.858 3.312 20 30 CGEDMO C[N@H+]1CCC[C@H](CCNc2ncc3ccccc3c2C#N)C1 ZINC001165260808 806982661 /nfs/dbraw/zinc/98/26/61/806982661.db2.gz JENFYCOCYRXHOW-CQSZACIVSA-N 1 1 294.402 3.250 20 30 CGEDMO Cn1c2ccccc2[nH+]c1Nc1ccc(OCC#N)cc1 ZINC001212604485 815083058 /nfs/dbraw/zinc/08/30/58/815083058.db2.gz GEQNOIIWABSPAS-UHFFFAOYSA-N 1 1 278.315 3.219 20 30 CGEDMO C=CC[N@H+]([C@@H]1CC[C@H](C(=O)OCC)C1)C(C)(C)C ZINC001257067461 807040194 /nfs/dbraw/zinc/04/01/94/807040194.db2.gz FLOFLAHFUKKRPB-QWHCGFSZSA-N 1 1 253.386 3.005 20 30 CGEDMO C=CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H](CC)CCC ZINC001257247408 807068145 /nfs/dbraw/zinc/06/81/45/807068145.db2.gz VRKSTWAPQXNSHY-KBPBESRZSA-N 1 1 255.402 3.299 20 30 CGEDMO C=CCOC(=O)N1CCC[C@@]2(CC[N@H+](C3CCCC3)C2)C1 ZINC001257349315 807117329 /nfs/dbraw/zinc/11/73/29/807117329.db2.gz JQWVTGGCXZRBER-KRWDZBQOSA-N 1 1 292.423 3.040 20 30 CGEDMO C#C[C@@H]1CCCN(c2cc3cc(OC)ccc3c[nH+]2)C1 ZINC001167004755 807126031 /nfs/dbraw/zinc/12/60/31/807126031.db2.gz CDILXTCUQKKQHQ-CYBMUJFWSA-N 1 1 266.344 3.093 20 30 CGEDMO C[N@H+](Cc1cc2ccccc2[nH]1)Cc1cncc(C#N)c1 ZINC001167581802 807209620 /nfs/dbraw/zinc/20/96/20/807209620.db2.gz GBTQNPAAAFDMTP-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO C[N@@H+](Cc1cc2ccccc2[nH]1)Cc1cncc(C#N)c1 ZINC001167581802 807209628 /nfs/dbraw/zinc/20/96/28/807209628.db2.gz GBTQNPAAAFDMTP-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO C=CCn1ccc2c1nc[nH+]c2NCc1ccccc1C#N ZINC001167632881 807219939 /nfs/dbraw/zinc/21/99/39/807219939.db2.gz FGELVEAHLDAKPW-UHFFFAOYSA-N 1 1 289.342 3.101 20 30 CGEDMO C=C1C[C@@H]2CC([NH+]3CCC(N(C)C)CC3)C[C@H](C1)C2 ZINC001257890108 807241240 /nfs/dbraw/zinc/24/12/40/807241240.db2.gz QMDDQXCMLRJPTN-FKEKPDDDSA-N 1 1 262.441 3.147 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CCC(F)(F)[C@H](CO)C3)C[C@H](C1)C2 ZINC001257890872 807241359 /nfs/dbraw/zinc/24/13/59/807241359.db2.gz BQJZPRVRSLWRIZ-MBOZISHXSA-N 1 1 285.378 3.071 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCCNc1cc(C#N)cc(C#N)c1 ZINC001167752978 807241852 /nfs/dbraw/zinc/24/18/52/807241852.db2.gz KRMMPQRHOCJOMU-CQSZACIVSA-N 1 1 282.391 3.106 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCCNc1ccc(C2(C#N)CC2)cn1 ZINC001167752447 807242242 /nfs/dbraw/zinc/24/22/42/807242242.db2.gz VZQWEAGKXVARBE-HNNXBMFYSA-N 1 1 298.434 3.313 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCC[C@@H](C(=O)OC)[C@H]3C)C[C@H](C1)C2 ZINC001257893985 807244187 /nfs/dbraw/zinc/24/41/87/807244187.db2.gz HIONUBWRYFCRKG-CTVHLWBWSA-N 1 1 291.435 3.395 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+](CC)CCn3cccn3)C[C@H](C1)C2 ZINC001257895015 807245630 /nfs/dbraw/zinc/24/56/30/807245630.db2.gz HODNKDFRELVXJW-SJPCQFCGSA-N 1 1 273.424 3.340 20 30 CGEDMO C=CCOCC[N@H+](C)[C@H]1C[C@H](OCC)C1(CC)CC ZINC001167820866 807254642 /nfs/dbraw/zinc/25/46/42/807254642.db2.gz YDDIRMHTAYNVCS-GJZGRUSLSA-N 1 1 269.429 3.105 20 30 CGEDMO CCCCCCC[C@@H](C)[N@@H+](C)C1CCS(=O)(=O)CC1 ZINC001258049238 807275656 /nfs/dbraw/zinc/27/56/56/807275656.db2.gz BYBGWCJCGPAWFR-CQSZACIVSA-N 1 1 289.485 3.244 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1C[C@@H]2C[C@H](C1)C2C(=O)OC ZINC001258052292 807278577 /nfs/dbraw/zinc/27/85/77/807278577.db2.gz NZBCSOFSDRVOPD-LSVZVQIISA-N 1 1 281.440 3.476 20 30 CGEDMO C#CCC[NH2+]C1C[C@@H](C)N(Cc2ccccc2)[C@H](C)C1 ZINC001168022954 807301118 /nfs/dbraw/zinc/30/11/18/807301118.db2.gz UDPRTRGKXMYWKR-HZPDHXFCSA-N 1 1 270.420 3.041 20 30 CGEDMO C=C1CC=C(F)C=C1[NH2+][C@@H](C)CCCC(=O)OCC ZINC001258113020 807312019 /nfs/dbraw/zinc/31/20/19/807312019.db2.gz SILDRWJWBHBABI-LBPRGKRZSA-N 1 1 267.344 3.395 20 30 CGEDMO C=CC[N@H+]([C@H](C)CCCC(=O)OCC)C(C)(C)C ZINC001258133631 807320473 /nfs/dbraw/zinc/32/04/73/807320473.db2.gz ZWPSAVWHYRWSRH-CYBMUJFWSA-N 1 1 255.402 3.395 20 30 CGEDMO CCCCCCCCC[C@H](C)[N@H+]1CCC[C@H]1C(N)=O ZINC001258227810 807376347 /nfs/dbraw/zinc/37/63/47/807376347.db2.gz BGEIGSUASJXQEE-GJZGRUSLSA-N 1 1 268.445 3.465 20 30 CGEDMO CC1(C)CCC[C@H]([N@H+]2CCC3SC(=O)C=C3C2)C1 ZINC001258284829 807395868 /nfs/dbraw/zinc/39/58/68/807395868.db2.gz IMMMQPHWOINEEL-STQMWFEESA-N 1 1 265.422 3.229 20 30 CGEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+]([C@H](C)CC1CC1)CCO2 ZINC001258463294 807465960 /nfs/dbraw/zinc/46/59/60/807465960.db2.gz CYWBSRGYLJJHTM-BPQIPLTHSA-N 1 1 293.451 3.249 20 30 CGEDMO C=CCOC(=O)[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)[C@@H](C)CC ZINC001258594679 807494794 /nfs/dbraw/zinc/49/47/94/807494794.db2.gz LLMDKYPEOYXSEG-MJBXVCDLSA-N 1 1 267.413 3.299 20 30 CGEDMO N#CC[C@H]1CCC[N@H+]([C@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168733902 807498241 /nfs/dbraw/zinc/49/82/41/807498241.db2.gz DDRBKMWZNVDSBY-OCCSQVGLSA-N 1 1 274.795 3.433 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168733945 807498318 /nfs/dbraw/zinc/49/83/18/807498318.db2.gz DNDQOJWPBIYQAL-CYBMUJFWSA-N 1 1 262.784 3.433 20 30 CGEDMO C=CC[C@@H]([NH2+][C@H](Cc1ccccc1)CC(C)C)C(=O)OC ZINC001169058995 807562235 /nfs/dbraw/zinc/56/22/35/807562235.db2.gz CDTBKKLVCVWWFU-DLBZAZTESA-N 1 1 289.419 3.351 20 30 CGEDMO CCCCCCC[C@H](CC(C)C)[N@H+]1C[C@H](O)[C@@H](CO)C1 ZINC001258714191 807565786 /nfs/dbraw/zinc/56/57/86/807565786.db2.gz KKSWIGWAKPWCMW-ZACQAIPSSA-N 1 1 285.472 3.047 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC001169080922 807569939 /nfs/dbraw/zinc/56/99/39/807569939.db2.gz XKVAZTHCZMWFQD-RDJZCZTQSA-N 1 1 259.393 3.285 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]2[C@@H](CN2C(=O)OC(C)(C)C)C1 ZINC001258724713 807573830 /nfs/dbraw/zinc/57/38/30/807573830.db2.gz DAFKBNBQPAPYAT-RBSFLKMASA-N 1 1 294.439 3.282 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]2O[C@H](c3nc(C)no3)CC[C@H]21 ZINC001258728977 807576354 /nfs/dbraw/zinc/57/63/54/807576354.db2.gz SAEHTIWGSGAXPL-MYPMTAMASA-N 1 1 291.395 3.027 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](CC(=O)OCC)[C@H](C)C1 ZINC001258735938 807582038 /nfs/dbraw/zinc/58/20/38/807582038.db2.gz GGWVRPLNWKDIQF-QLFBSQMISA-N 1 1 267.413 3.252 20 30 CGEDMO CCCCCCCC[N@@H+](C)[C@@H]1CC[C@H](C(=O)OCC)OC1 ZINC001169391662 807638586 /nfs/dbraw/zinc/63/85/86/807638586.db2.gz JAIUIYLBQYOJBT-HZPDHXFCSA-N 1 1 299.455 3.389 20 30 CGEDMO Cc1cc(NC23CCC(C#N)(CC2)CC3)nc(C)[nH+]1 ZINC001169744195 807702545 /nfs/dbraw/zinc/70/25/45/807702545.db2.gz QEKKAISKWOZNFO-UHFFFAOYSA-N 1 1 256.353 3.122 20 30 CGEDMO CC1(C)CC([N@H+]2CCC[C@H](CC#N)C2)CC(C)(C)N1O ZINC001170002923 807737486 /nfs/dbraw/zinc/73/74/86/807737486.db2.gz JRWNXVKYDXEZNM-CYBMUJFWSA-N 1 1 279.428 3.023 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCC)C1 ZINC001261695843 807778628 /nfs/dbraw/zinc/77/86/28/807778628.db2.gz FMXDFRDGCOCARJ-CABCVRRESA-N 1 1 298.858 3.242 20 30 CGEDMO C[C@H]1COCC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C1 ZINC001170379093 807831992 /nfs/dbraw/zinc/83/19/92/807831992.db2.gz PXBNLTWAZOOUJJ-IPJUCJBFSA-N 1 1 298.430 3.359 20 30 CGEDMO C[C@H]1COCC[N@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170379180 807832461 /nfs/dbraw/zinc/83/24/61/807832461.db2.gz SGMJILJIGUEMQZ-ZLPCBKJTSA-N 1 1 284.403 3.111 20 30 CGEDMO CC(=O)[C@@H]1CCC[N@H+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170406239 807835520 /nfs/dbraw/zinc/83/55/20/807835520.db2.gz UKKSPSWBNYHHSG-XBMUEBEBSA-N 1 1 296.414 3.444 20 30 CGEDMO CC#CC[N@@H+](C)CCCCCCCNC(=O)OC(C)(C)C ZINC001170703126 807877245 /nfs/dbraw/zinc/87/72/45/807877245.db2.gz PEGRZSBLORGGDC-UHFFFAOYSA-N 1 1 296.455 3.417 20 30 CGEDMO N#CC[C@H]1CCC[N@H+]([C@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170701613 807878103 /nfs/dbraw/zinc/87/81/03/807878103.db2.gz QWXACDJGJMXXAB-DOMZBBRYSA-N 1 1 290.357 3.448 20 30 CGEDMO CC1(C)[C@@H]2C[C@@H]([NH+]3CC(Oc4ccccc4C#N)C3)C[C@@H]21 ZINC001170765098 807903055 /nfs/dbraw/zinc/90/30/55/807903055.db2.gz AXPJVFBXXVZATF-MKZZRHPPSA-N 1 1 282.387 3.056 20 30 CGEDMO C[N@H+](CCC#N)[C@H]1CCc2ccc(Br)cc2C1 ZINC001170870101 807924327 /nfs/dbraw/zinc/92/43/27/807924327.db2.gz VPQPLFSWGNMJCZ-AWEZNQCLSA-N 1 1 293.208 3.152 20 30 CGEDMO C[N@@H+](CCC#N)[C@H]1CCc2ccc(Br)cc2C1 ZINC001170870101 807924331 /nfs/dbraw/zinc/92/43/31/807924331.db2.gz VPQPLFSWGNMJCZ-AWEZNQCLSA-N 1 1 293.208 3.152 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@H](CC#N)C1 ZINC001171220494 808011068 /nfs/dbraw/zinc/01/10/68/808011068.db2.gz AOOHPKYFFPQVLM-HUUCEWRRSA-N 1 1 267.376 3.115 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC001171225115 808012744 /nfs/dbraw/zinc/01/27/44/808012744.db2.gz XUHIBMLNHKWJGM-DOMZBBRYSA-N 1 1 276.330 3.220 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC001171221663 808013090 /nfs/dbraw/zinc/01/30/90/808013090.db2.gz RPKMAOGDZKIGNQ-RISCZKNCSA-N 1 1 282.309 3.373 20 30 CGEDMO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)Cc1cccc(C#N)c1 ZINC001171229315 808013820 /nfs/dbraw/zinc/01/38/20/808013820.db2.gz LUBRKCRVIUDLSS-DTWYCDNDSA-N 1 1 284.403 3.131 20 30 CGEDMO CCC[N@H+](CCCN(C)C)[C@H](C)Cc1cccc(C#N)c1 ZINC001171232718 808016098 /nfs/dbraw/zinc/01/60/98/808016098.db2.gz VXCURTSKRNDMHK-MRXNPFEDSA-N 1 1 287.451 3.153 20 30 CGEDMO CCC[N@@H+](CCCN(C)C)[C@H](C)Cc1cccc(C#N)c1 ZINC001171232718 808016103 /nfs/dbraw/zinc/01/61/03/808016103.db2.gz VXCURTSKRNDMHK-MRXNPFEDSA-N 1 1 287.451 3.153 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)CCC(C)(C)C)[C@H]1CC ZINC001264067976 808032926 /nfs/dbraw/zinc/03/29/26/808032926.db2.gz YHPSDHQEEJCQAF-HRCADAONSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[N@H+](CCCCC)[C@@H]1C ZINC001264143111 808040367 /nfs/dbraw/zinc/04/03/67/808040367.db2.gz JTKAAUWUVORIDG-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)CCCCCC(C)C)[C@H]1C ZINC001264163707 808042822 /nfs/dbraw/zinc/04/28/22/808042822.db2.gz WSPYGTFUTIRTBQ-CVEARBPZSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1sccc1C ZINC001264179415 808044916 /nfs/dbraw/zinc/04/49/16/808044916.db2.gz ULIXQKXPOOMSJM-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO CC#CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC/C=C/CC ZINC001264369352 808060515 /nfs/dbraw/zinc/06/05/15/808060515.db2.gz UYRPPCWOVUHPGC-LKUPDRCFSA-N 1 1 290.451 3.069 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)CC(C)C ZINC001264376168 808063916 /nfs/dbraw/zinc/06/39/16/808063916.db2.gz DBUVBKXLWVHLSM-HNNXBMFYSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC001171522927 808085430 /nfs/dbraw/zinc/08/54/30/808085430.db2.gz MSRVMDZTFCERJK-ZIAGYGMSSA-N 1 1 267.413 3.252 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@H+](CCCCC)[C@@H]1C ZINC001264714147 808087830 /nfs/dbraw/zinc/08/78/30/808087830.db2.gz QDPHXNQNELXHSN-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1ccoc1C ZINC001264737757 808090031 /nfs/dbraw/zinc/09/00/31/808090031.db2.gz KRSAHXSCPLWTMA-HNNXBMFYSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](CCF)CC(C)(C)C1 ZINC001264753810 808093523 /nfs/dbraw/zinc/09/35/23/808093523.db2.gz ONQORCDTGFDMMI-CQSZACIVSA-N 1 1 298.446 3.165 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)c1[nH]c(C)cc1C ZINC001265002530 808102986 /nfs/dbraw/zinc/10/29/86/808102986.db2.gz JVJLBEBZWYNZNN-HNNXBMFYSA-N 1 1 291.439 3.038 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCCC[N@H+](C)CC1CC(C)(C)C1 ZINC001265019643 808103394 /nfs/dbraw/zinc/10/33/94/808103394.db2.gz DWWBIPUJVOIWID-UHFFFAOYSA-N 1 1 294.483 3.463 20 30 CGEDMO Cc1cccc2c1CC[C@H]([N@H+]1CC[C@@](C)(C#N)C1)C2 ZINC001171577890 808103650 /nfs/dbraw/zinc/10/36/50/808103650.db2.gz IIRYSFARBFGJQL-RDJZCZTQSA-N 1 1 254.377 3.088 20 30 CGEDMO CN1C(C)(C)CC([N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC1(C)C ZINC001171639554 808111390 /nfs/dbraw/zinc/11/13/90/808111390.db2.gz OREZHRJTFWWTMQ-QKDCVEJESA-N 1 1 289.467 3.404 20 30 CGEDMO CN1C(C)(C)CC([N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC1(C)C ZINC001171639554 808111394 /nfs/dbraw/zinc/11/13/94/808111394.db2.gz OREZHRJTFWWTMQ-QKDCVEJESA-N 1 1 289.467 3.404 20 30 CGEDMO C=CC[C@@](C)([NH2+][C@@H](C)CCc1ccc(C)cc1)C(=O)OC ZINC001171665730 808116719 /nfs/dbraw/zinc/11/67/19/808116719.db2.gz OZFKIJYUGUWSLV-MAUKXSAKSA-N 1 1 289.419 3.414 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)CCC(C)C)C1 ZINC001265384989 808137086 /nfs/dbraw/zinc/13/70/86/808137086.db2.gz TZTRPPWBXMFVNX-MRXNPFEDSA-N 1 1 280.456 3.169 20 30 CGEDMO C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)CCCCCC)C1 ZINC001265398947 808140055 /nfs/dbraw/zinc/14/00/55/808140055.db2.gz MBERQRLEWDDCDR-QGZVFWFLSA-N 1 1 292.467 3.151 20 30 CGEDMO CC#CCCCC(=O)NC[C@@H]1CCC[N@H+](C[C@@H](C)CC)C1 ZINC001265588675 808158945 /nfs/dbraw/zinc/15/89/45/808158945.db2.gz HOGXZFWXLRIAFI-IRXDYDNUSA-N 1 1 292.467 3.054 20 30 CGEDMO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@H+](C)CCC#N ZINC001171971474 808162487 /nfs/dbraw/zinc/16/24/87/808162487.db2.gz VOUKYAGNJPCBJE-NSHDSACASA-N 1 1 270.298 3.482 20 30 CGEDMO C[C@@H](Cc1ccc(C(F)(F)F)cc1)[N@@H+](C)CCC#N ZINC001171971474 808162493 /nfs/dbraw/zinc/16/24/93/808162493.db2.gz VOUKYAGNJPCBJE-NSHDSACASA-N 1 1 270.298 3.482 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@](C)(F)CCCC ZINC001265647282 808164373 /nfs/dbraw/zinc/16/43/73/808164373.db2.gz NEBQZYQWHQBCAQ-HOCLYGCPSA-N 1 1 284.419 3.062 20 30 CGEDMO CN(CC#N)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172073929 808169749 /nfs/dbraw/zinc/16/97/49/808169749.db2.gz FFAMMHYZLBEIBH-PIIMJCKOSA-N 1 1 283.419 3.027 20 30 CGEDMO N#CC1CN([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001172076580 808169813 /nfs/dbraw/zinc/16/98/13/808169813.db2.gz GCXNTXLAAKCTRA-BWTSREIZSA-N 1 1 295.430 3.027 20 30 CGEDMO C#CC1(N[C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC001172063555 808169996 /nfs/dbraw/zinc/16/99/96/808169996.db2.gz AOHFAIDIYSCSOS-LDLYASANSA-N 1 1 294.442 3.328 20 30 CGEDMO C#CC1([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC001172063555 808169998 /nfs/dbraw/zinc/16/99/98/808169998.db2.gz AOHFAIDIYSCSOS-LDLYASANSA-N 1 1 294.442 3.328 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](CCC2CC2)C1 ZINC001265702729 808170900 /nfs/dbraw/zinc/17/09/00/808170900.db2.gz HDVSFAFTTPDUFA-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCCCCC[N@@H+](CC)C1C[C@@H]2COC[C@H](C1)N2C ZINC001172140519 808188463 /nfs/dbraw/zinc/18/84/63/808188463.db2.gz VHIFMKCYNNDNTC-ALOPSCKCSA-N 1 1 282.472 3.140 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCCNC(=O)c1cc(F)ccc1C ZINC001265897557 808191059 /nfs/dbraw/zinc/19/10/59/808191059.db2.gz NUIMMPBOPVSGLT-UHFFFAOYSA-N 1 1 292.398 3.152 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)[C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172188332 808191831 /nfs/dbraw/zinc/19/18/31/808191831.db2.gz GOPCNDOKZQVVRR-ROUUACIJSA-N 1 1 298.430 3.218 20 30 CGEDMO CCC[N@H+](CCC#N)[C@@H]1CSc2ccccc2C1 ZINC001172203548 808197161 /nfs/dbraw/zinc/19/71/61/808197161.db2.gz SYCINPOCZNUTHD-AWEZNQCLSA-N 1 1 260.406 3.329 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@@H]1CSc2ccccc2C1 ZINC001172203548 808197167 /nfs/dbraw/zinc/19/71/67/808197167.db2.gz SYCINPOCZNUTHD-AWEZNQCLSA-N 1 1 260.406 3.329 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1CSc2ccccc2C1 ZINC001172207037 808198492 /nfs/dbraw/zinc/19/84/92/808198492.db2.gz VRDGNQFFCPATRM-HNKHHVNMSA-N 1 1 284.428 3.470 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC(=O)[C@H]2CCCC[C@H]21 ZINC001172308672 808222651 /nfs/dbraw/zinc/22/26/51/808222651.db2.gz LUQVWQMTRYFCMX-FHLIZLRMSA-N 1 1 296.414 3.323 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC(=O)[C@@H]2CCCC[C@@H]21 ZINC001172308677 808222816 /nfs/dbraw/zinc/22/28/16/808222816.db2.gz LUQVWQMTRYFCMX-OLMNPRSZSA-N 1 1 296.414 3.323 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCn2cccc2[C@H]1C ZINC001172311117 808223063 /nfs/dbraw/zinc/22/30/63/808223063.db2.gz PCRSDWPUEUSPEJ-HUUCEWRRSA-N 1 1 279.387 3.368 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCn2cccc2[C@H]1C ZINC001172311117 808223067 /nfs/dbraw/zinc/22/30/67/808223067.db2.gz PCRSDWPUEUSPEJ-HUUCEWRRSA-N 1 1 279.387 3.368 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1ccncc1 ZINC001172314370 808224065 /nfs/dbraw/zinc/22/40/65/808224065.db2.gz ITNIWVOATJYRPW-CQSZACIVSA-N 1 1 265.360 3.016 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CCC[N@H+](CCCCC)C1 ZINC001266222736 808229807 /nfs/dbraw/zinc/22/98/07/808229807.db2.gz WHURZKIVUDLHSZ-HNNXBMFYSA-N 1 1 266.429 3.114 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC[N@H+](C)CC1=CCCCC1 ZINC001266306221 808240278 /nfs/dbraw/zinc/24/02/78/808240278.db2.gz HXYKDNZZVBAKNC-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001266339020 808244000 /nfs/dbraw/zinc/24/40/00/808244000.db2.gz HVTZKIFTDNLWML-SJLPKXTDSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CC[C@]2(CCNC2=O)C1 ZINC001172355219 808251578 /nfs/dbraw/zinc/25/15/78/808251578.db2.gz AHDKNWMIITYTCH-NVXWUHKLSA-N 1 1 280.456 3.338 20 30 CGEDMO C=CCCC[N@H+](CC)CCNC(=O)C1CCC2(CC2)CC1 ZINC001266403325 808257530 /nfs/dbraw/zinc/25/75/30/808257530.db2.gz NLFYSRNQBUVEGH-UHFFFAOYSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)C(C)(C)CC(C)(C)C ZINC001266437978 808264763 /nfs/dbraw/zinc/26/47/63/808264763.db2.gz SWMSHMGUKGXATF-UHFFFAOYSA-N 1 1 282.472 3.463 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCC[N@@H+]1[C@@H](C)c1ccccc1 ZINC001266450877 808267730 /nfs/dbraw/zinc/26/77/30/808267730.db2.gz WRJNXTQKPFDKGI-DOTOQJQBSA-N 1 1 286.419 3.294 20 30 CGEDMO C[C@@H]1CC[C@H]([N@H+]2CCC3SC(=O)C=C3C2)C[C@@H]1C ZINC001172374952 808270137 /nfs/dbraw/zinc/27/01/37/808270137.db2.gz QMTIAUORGOZJQV-UVLXDEKHSA-N 1 1 265.422 3.085 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)C1(C)CC=CC1 ZINC001266479662 808273094 /nfs/dbraw/zinc/27/30/94/808273094.db2.gz AFPCMWDQAUAYFD-CVEARBPZSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)C1(C)CC=CC1 ZINC001266479665 808273731 /nfs/dbraw/zinc/27/37/31/808273731.db2.gz AFPCMWDQAUAYFD-JKSUJKDBSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@](C)(F)CCCC)C1 ZINC001266520428 808280602 /nfs/dbraw/zinc/28/06/02/808280602.db2.gz MYIOLMRMRNXOLC-RDJZCZTQSA-N 1 1 298.446 3.309 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001266525684 808282755 /nfs/dbraw/zinc/28/27/55/808282755.db2.gz LMLIVKFIUODSKN-CQSZACIVSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@H]1CC[N@H+](CC2CC(C)C2)C1 ZINC001266537393 808284432 /nfs/dbraw/zinc/28/44/32/808284432.db2.gz KRPOUHTYJKFYGM-HWOWSKLDSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H]1CCCC[N@@H+]1CC[C@@H](C)F ZINC001266845400 808323014 /nfs/dbraw/zinc/32/30/14/808323014.db2.gz YADSZPYTCPKPPS-HUUCEWRRSA-N 1 1 284.419 3.062 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@@H]1CCCC[N@@H+]1C/C=C/Cl ZINC001266853800 808325404 /nfs/dbraw/zinc/32/54/04/808325404.db2.gz UBERCGJYQLPYDO-MMCPSDEHSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@@H]1CCCC[N@H+]1C/C=C/Cl ZINC001266853800 808325412 /nfs/dbraw/zinc/32/54/12/808325412.db2.gz UBERCGJYQLPYDO-MMCPSDEHSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@@H+]1CCC ZINC001266886955 808329504 /nfs/dbraw/zinc/32/95/04/808329504.db2.gz RWWPEOYJLCNGAL-HOTGVXAUSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CCOC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)CCOCC(C)C ZINC001172461611 808332136 /nfs/dbraw/zinc/33/21/36/808332136.db2.gz IMBPGXLMLRKFBO-HOTGVXAUSA-N 1 1 299.455 3.171 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2(CCC)CC2)C1 ZINC001266895645 808332195 /nfs/dbraw/zinc/33/21/95/808332195.db2.gz QUHGPSJBQDPOQO-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO CCC1CCC([NH2+][C@H](C)CCCC#N)(C(=O)OC)CC1 ZINC001172487214 808348366 /nfs/dbraw/zinc/34/83/66/808348366.db2.gz GDHIORPLZHCDCQ-VQCLRJIVSA-N 1 1 280.412 3.170 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@](O)(C(F)(F)F)[C@H](C)C1 ZINC001172491599 808351873 /nfs/dbraw/zinc/35/18/73/808351873.db2.gz FONOPKBBMTXELI-JHJVBQTASA-N 1 1 292.345 3.094 20 30 CGEDMO C[C@H](CCCC#N)[N@@H+](CCC#N)Cc1ccccc1 ZINC001172492722 808352052 /nfs/dbraw/zinc/35/20/52/808352052.db2.gz UIBZYGOTJAMELV-OAHLLOKOSA-N 1 1 255.365 3.485 20 30 CGEDMO COc1cccc(C[N@@H+](C)[C@H](C)CCCC#N)c1OC ZINC001172497885 808355899 /nfs/dbraw/zinc/35/58/99/808355899.db2.gz HFRLBLSFTQIPKR-CYBMUJFWSA-N 1 1 276.380 3.218 20 30 CGEDMO C[C@H](CCCC#N)[N@@H+](C)Cc1nc2ccccc2o1 ZINC001172500076 808356367 /nfs/dbraw/zinc/35/63/67/808356367.db2.gz JLLJKEJOTWERPW-GFCCVEGCSA-N 1 1 257.337 3.342 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[C@@H]([N@@H+](C)CC=C(C)C)C1 ZINC001267111205 808360055 /nfs/dbraw/zinc/36/00/55/808360055.db2.gz NAUXSGDDHWUQDB-IAGOWNOFSA-N 1 1 292.467 3.478 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCCC[C@@H]1CN1CCCC1 ZINC001172504270 808360845 /nfs/dbraw/zinc/36/08/45/808360845.db2.gz FRMNVCNYKZXAFQ-HZPDHXFCSA-N 1 1 263.429 3.019 20 30 CGEDMO C[C@H](CCCC#N)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001172504270 808360853 /nfs/dbraw/zinc/36/08/53/808360853.db2.gz FRMNVCNYKZXAFQ-HZPDHXFCSA-N 1 1 263.429 3.019 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC001267251241 808396633 /nfs/dbraw/zinc/39/66/33/808396633.db2.gz ZIZGADQLIJADRG-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C1CC(C)(C(=O)NCC[N@H+](CC)CC2CC(C)(C)C2)C1 ZINC001267251282 808397507 /nfs/dbraw/zinc/39/75/07/808397507.db2.gz AMQNGUNCNWOVFH-UHFFFAOYSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)C(C)(C)C2CCC2)C1 ZINC001267297365 808406326 /nfs/dbraw/zinc/40/63/26/808406326.db2.gz ADTFFNQYSVOLJC-ZDUSSCGKSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)C2CCC2)C1 ZINC001267297365 808406331 /nfs/dbraw/zinc/40/63/31/808406331.db2.gz ADTFFNQYSVOLJC-ZDUSSCGKSA-N 1 1 298.858 3.003 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)C2(F)CCCC2)C1 ZINC001267297318 808407165 /nfs/dbraw/zinc/40/71/65/808407165.db2.gz HEHPHMJRVCWJSE-CABCVRRESA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)CCCC)C1 ZINC001267291929 808407442 /nfs/dbraw/zinc/40/74/42/808407442.db2.gz ORVLAKOUTWVMCO-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)C2CCCC2)C1 ZINC001267306196 808408886 /nfs/dbraw/zinc/40/88/86/808408886.db2.gz FMZRTUMPGIZMDL-CVEARBPZSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)C2CCCC2)C1 ZINC001267306199 808409007 /nfs/dbraw/zinc/40/90/07/808409007.db2.gz FMZRTUMPGIZMDL-JKSUJKDBSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(Cl)C[N@H+](CCC)CCNC(=O)[C@@]1(C)CC=CCC1 ZINC001267314068 808411370 /nfs/dbraw/zinc/41/13/70/808411370.db2.gz HQGOHIYAIMXQLN-INIZCTEOSA-N 1 1 298.858 3.314 20 30 CGEDMO C=C(Cl)C[N@@H+](CCC)CCNC(=O)[C@@]1(C)CC=CCC1 ZINC001267314068 808411374 /nfs/dbraw/zinc/41/13/74/808411374.db2.gz HQGOHIYAIMXQLN-INIZCTEOSA-N 1 1 298.858 3.314 20 30 CGEDMO C=C(C)CC[N@@H+](CCC)CCNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001267316743 808411960 /nfs/dbraw/zinc/41/19/60/808411960.db2.gz AXPHPMDDJQRBMB-WMZOPIPTSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)[C@H](C)c1ccccc1C ZINC001267320336 808414456 /nfs/dbraw/zinc/41/44/56/808414456.db2.gz GRMBICNNNNJBMU-MRXNPFEDSA-N 1 1 288.435 3.113 20 30 CGEDMO C=CC[N@H+](CCNC(=O)c1oc2ccccc2c1C)C1CC1 ZINC001267337101 808417762 /nfs/dbraw/zinc/41/77/62/808417762.db2.gz GXTQTAUIGXAMLE-UHFFFAOYSA-N 1 1 298.386 3.121 20 30 CGEDMO N#CC[C@H]1CCC[N@H+]([C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001172722236 808419152 /nfs/dbraw/zinc/41/91/52/808419152.db2.gz RSBJDMJPXLLJQF-WBMJQRKESA-N 1 1 274.795 3.433 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCCC ZINC001267423669 808425001 /nfs/dbraw/zinc/42/50/01/808425001.db2.gz SCUJSLAVSFFBAY-ZACQAIPSSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)CCC(=O)N(CCC)[C@@H]1CC[N@@H+](CC[C@@H](C)F)C1 ZINC001267542518 808443673 /nfs/dbraw/zinc/44/36/73/808443673.db2.gz YIUGRODEJGAOSY-HZPDHXFCSA-N 1 1 298.446 3.404 20 30 CGEDMO C=C[C@H](CC)CC(=O)NCC[C@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC001267563417 808448006 /nfs/dbraw/zinc/44/80/06/808448006.db2.gz YQZATWICXAXAFD-PNPSXAPQSA-N 1 1 298.858 3.169 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](CCNC(=O)C2(C)CC(=C)C2)C1 ZINC001267571143 808449842 /nfs/dbraw/zinc/44/98/42/808449842.db2.gz WOBYOLBCPYULKP-INIZCTEOSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC(C)(C)C(=O)NCC[C@H]1CC[N@H+](C[C@@H](C)CC)C1 ZINC001267567835 808450273 /nfs/dbraw/zinc/45/02/73/808450273.db2.gz QKJYOSNUGWPQFI-HOTGVXAUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)c2cc(C)cs2)C1 ZINC001267581122 808451246 /nfs/dbraw/zinc/45/12/46/808451246.db2.gz JBXMMPQOERIIKU-CQSZACIVSA-N 1 1 292.448 3.027 20 30 CGEDMO C#CCCCC(=O)N1CC[C@H](C[N@@H+](C)CCC(C)(C)C)C1 ZINC001267581756 808451528 /nfs/dbraw/zinc/45/15/28/808451528.db2.gz SGRLWSDDNUKSRL-MRXNPFEDSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001267590054 808453610 /nfs/dbraw/zinc/45/36/10/808453610.db2.gz PCMWJYQAJKYBSJ-BRWVUGGUSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)C(C)(C)C)C1 ZINC001267583898 808454089 /nfs/dbraw/zinc/45/40/89/808454089.db2.gz ACPMYPCCIKVLTJ-GJZGRUSLSA-N 1 1 280.456 3.025 20 30 CGEDMO C=CC[N@H+](C)CC1CCN(C(=O)C2C(C)(C)C2(C)C)CC1 ZINC001267598762 808455190 /nfs/dbraw/zinc/45/51/90/808455190.db2.gz PMRMUYVTUIAQHW-UHFFFAOYSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](CCCCC)C2)C1 ZINC001267629584 808460186 /nfs/dbraw/zinc/46/01/86/808460186.db2.gz ADVONSNOKZYLQD-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[NH+]1CC(NC(=O)c2ccc3c(c2)CCC=C3)C1 ZINC001267666632 808468087 /nfs/dbraw/zinc/46/80/87/808468087.db2.gz HVSOEVIMRAORGS-UHFFFAOYSA-N 1 1 296.414 3.026 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)C(=C)C)C1 ZINC001267672099 808469932 /nfs/dbraw/zinc/46/99/32/808469932.db2.gz ZFDWAEFIVZIRDW-INIZCTEOSA-N 1 1 292.467 3.335 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@H](C[N@H+](C)CCCC)C1 ZINC001267690437 808471066 /nfs/dbraw/zinc/47/10/66/808471066.db2.gz NZMLQAIUGCWQBB-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@@H](C[N@H+](C)CCCC)C1 ZINC001267690436 808471208 /nfs/dbraw/zinc/47/12/08/808471208.db2.gz NZMLQAIUGCWQBB-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCCC1 ZINC001267705658 808474549 /nfs/dbraw/zinc/47/45/49/808474549.db2.gz IIASYGAMNJPNAQ-IRXDYDNUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCCCCC[N@H+](C)CC1CCN(C(=O)CC)CC1 ZINC001267714334 808474610 /nfs/dbraw/zinc/47/46/10/808474610.db2.gz DMPLENXMBHQZQJ-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@H+](CCCC(C)C)C1 ZINC001267727338 808478622 /nfs/dbraw/zinc/47/86/22/808478622.db2.gz CLLSLYULDRMFKF-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)C(C)(C)CC=C)C1 ZINC001267730939 808479308 /nfs/dbraw/zinc/47/93/08/808479308.db2.gz HLCODAYASJYERZ-CABCVRRESA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H](CCC)C(C)C)C1 ZINC001267750263 808483184 /nfs/dbraw/zinc/48/31/84/808483184.db2.gz XGUPTPYHJSQXDK-HZPDHXFCSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)CC(C)(C)C)C1 ZINC001267756188 808485171 /nfs/dbraw/zinc/48/51/71/808485171.db2.gz ASEWTTYALRAISV-CABCVRRESA-N 1 1 280.456 3.310 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](CC)CC(C)C)C1 ZINC001267774991 808488966 /nfs/dbraw/zinc/48/89/66/808488966.db2.gz MNWQXZYRMMIMHJ-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)CC2CC(C)(C)C2)C1 ZINC001267792360 808493992 /nfs/dbraw/zinc/49/39/92/808493992.db2.gz YRSZUYVKVNKGQK-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](C2CCC3(CCOCC3)CC2)C1 ZINC001173048795 808500048 /nfs/dbraw/zinc/50/00/48/808500048.db2.gz VAOCTNBVNJVRET-OAHLLOKOSA-N 1 1 261.409 3.071 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001268194734 808553895 /nfs/dbraw/zinc/55/38/95/808553895.db2.gz WJTWFVMPUQVBCC-KRWDZBQOSA-N 1 1 286.419 3.124 20 30 CGEDMO C=CCC[N@H+](C)CCC1CCN(C(=O)/C(C)=C/CC)CC1 ZINC001268199882 808555730 /nfs/dbraw/zinc/55/57/30/808555730.db2.gz GUCIOUPMBNPSTH-LZYBPNLTSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCCC[N@H+](C)CCC1CCN(C(=O)[C@H]2C[C@@H]2C)CC1 ZINC001268200186 808555741 /nfs/dbraw/zinc/55/57/41/808555741.db2.gz QXOUSTHABNNWCT-RDJZCZTQSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)C[C@@H]1CCCC[C@@H]1C ZINC001268258348 808572232 /nfs/dbraw/zinc/57/22/32/808572232.db2.gz AYQYXYYBEJIDTO-HOTGVXAUSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CCCCC)CC[C@@H]21 ZINC001268264623 808573824 /nfs/dbraw/zinc/57/38/24/808573824.db2.gz UUANXKBRADTDKN-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO CCOC(=O)[C@H](CC1CCC1)[NH2+]C1CCC(CC#N)CC1 ZINC001173328685 808613953 /nfs/dbraw/zinc/61/39/53/808613953.db2.gz JQMKDTVNCYHOMJ-BCLQGDPASA-N 1 1 292.423 3.170 20 30 CGEDMO CCCC[N@@H+](CC(=O)OCC)C1CCC(CC#N)CC1 ZINC001173336551 808617565 /nfs/dbraw/zinc/61/75/65/808617565.db2.gz DFQWDWPDJZYVRG-UHFFFAOYSA-N 1 1 280.412 3.124 20 30 CGEDMO CC[N@@H+](CC(=O)OC(C)(C)C)C1CCC(CC#N)CC1 ZINC001173337630 808618738 /nfs/dbraw/zinc/61/87/38/808618738.db2.gz REYRCBMFYORZJZ-UHFFFAOYSA-N 1 1 280.412 3.122 20 30 CGEDMO C[N@@H+](CCCC(=O)c1cccnc1)C1CCC(CC#N)CC1 ZINC001173338564 808618945 /nfs/dbraw/zinc/61/89/45/808618945.db2.gz FVPSOBPXIFYLCE-UHFFFAOYSA-N 1 1 299.418 3.449 20 30 CGEDMO N#CCC1CCC([N@@H+](C2CCC2)C2CCOCC2)CC1 ZINC001173340810 808619543 /nfs/dbraw/zinc/61/95/43/808619543.db2.gz LQZGVQPOIAPJCD-UHFFFAOYSA-N 1 1 276.424 3.492 20 30 CGEDMO CC[NH+](CC)C1CCN(C2CCC(CC#N)CC2)CC1 ZINC001173340089 808620412 /nfs/dbraw/zinc/62/04/12/808620412.db2.gz YQOAGDCZXVWDMG-UHFFFAOYSA-N 1 1 277.456 3.265 20 30 CGEDMO CC[N@H+]1CC[C@@H](N(CCC#N)Cc2ccc(Cl)cc2)C1 ZINC001173367084 808632084 /nfs/dbraw/zinc/63/20/84/808632084.db2.gz CZHXARCWDDJUEK-MRXNPFEDSA-N 1 1 291.826 3.150 20 30 CGEDMO C=CCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(CC)c1 ZINC001268930142 808636327 /nfs/dbraw/zinc/63/63/27/808636327.db2.gz YPMOWCQTRFNEBC-ROUUACIJSA-N 1 1 298.430 3.000 20 30 CGEDMO CCCCCCOC(=O)C[NH2+]C1CCC(C)(C#N)CC1 ZINC001173590750 808647437 /nfs/dbraw/zinc/64/74/37/808647437.db2.gz MLRAMVDNJFLVTA-UHFFFAOYSA-N 1 1 280.412 3.172 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)CC1 ZINC001173592651 808648570 /nfs/dbraw/zinc/64/85/70/808648570.db2.gz XLGMMBZHZBAGJC-DGNOSDGRSA-N 1 1 274.408 3.292 20 30 CGEDMO CC(C)N1CC[C@H]([NH2+]C2CCC(C)(C#N)CC2)[C@H](C)C1 ZINC001173591958 808648627 /nfs/dbraw/zinc/64/86/27/808648627.db2.gz AIWNDXRYGWLMQQ-GYXIZQIFSA-N 1 1 277.456 3.167 20 30 CGEDMO CCCCCCCCCC(=O)N1CC2(CC[N@@H+]2C)C1 ZINC001269126804 808649339 /nfs/dbraw/zinc/64/93/39/808649339.db2.gz CEKBPEKAOPCAFT-UHFFFAOYSA-N 1 1 266.429 3.044 20 30 CGEDMO CCCCCCCCCC(=O)N1CC2(CC[N@H+]2C)C1 ZINC001269126804 808649342 /nfs/dbraw/zinc/64/93/42/808649342.db2.gz CEKBPEKAOPCAFT-UHFFFAOYSA-N 1 1 266.429 3.044 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C)C1 ZINC001269134118 808650307 /nfs/dbraw/zinc/65/03/07/808650307.db2.gz HCSKXYBEZTWRKX-QGZVFWFLSA-N 1 1 286.419 3.042 20 30 CGEDMO CCOC(=O)C[N@@H+](C1CCCC1)C1CCC(C)(C#N)CC1 ZINC001173600646 808650680 /nfs/dbraw/zinc/65/06/80/808650680.db2.gz HNWMPRKFVQAVHH-UHFFFAOYSA-N 1 1 292.423 3.267 20 30 CGEDMO Cc1cnccc1O[C@H]1CC[N@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173597309 808650951 /nfs/dbraw/zinc/65/09/51/808650951.db2.gz OVCJADTYHZRDFD-PQUAAJSLSA-N 1 1 299.418 3.316 20 30 CGEDMO Cc1cccnc1O[C@@H]1CC[N@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173597519 808651084 /nfs/dbraw/zinc/65/10/84/808651084.db2.gz WZLBHFSJDMHFJS-UPTPFMHGSA-N 1 1 299.418 3.316 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001269172556 808651785 /nfs/dbraw/zinc/65/17/85/808651785.db2.gz QDCXMTXMIGAIAT-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC001269159420 808651896 /nfs/dbraw/zinc/65/18/96/808651896.db2.gz DBZOZQJMAGMTOV-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)c2coc(C)c2)C1 ZINC001269232958 808658921 /nfs/dbraw/zinc/65/89/21/808658921.db2.gz BPRCBZMCUMFXPB-BBRMVZONSA-N 1 1 290.407 3.089 20 30 CGEDMO C=CCC(C)(C)C(=O)N(C)[C@H]1CC[N@H+](C[C@H](C)CC)C1 ZINC001269281859 808663269 /nfs/dbraw/zinc/66/32/69/808663269.db2.gz VJMRBKOXBQICLV-CABCVRRESA-N 1 1 280.456 3.168 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(C)cc2)C1 ZINC001269293071 808665368 /nfs/dbraw/zinc/66/53/68/808665368.db2.gz UURLSCWBTIIBBM-KRWDZBQOSA-N 1 1 298.430 3.042 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@@H]1[C@H]1CC[N@H+](CC(C)C)C1 ZINC001269558491 808689264 /nfs/dbraw/zinc/68/92/64/808689264.db2.gz YTERASACPSVNBE-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)/C(C)=C/CC ZINC001269583313 808690451 /nfs/dbraw/zinc/69/04/51/808690451.db2.gz HMGDBEZCFPTICU-HHHZRULFSA-N 1 1 290.451 3.374 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)CCCC2CC2)C1 ZINC001270616602 808739530 /nfs/dbraw/zinc/73/95/30/808739530.db2.gz WLODQYHSJLIDSM-QGZVFWFLSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)CCCCC(C)C)C1 ZINC001270643240 808740980 /nfs/dbraw/zinc/74/09/80/808740980.db2.gz UBNMRHGNBPELJV-KRWDZBQOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@]1(C)CCC[N@H+](CC(C)C)C1 ZINC001270965793 808756948 /nfs/dbraw/zinc/75/69/48/808756948.db2.gz PEJCCRIMCHFCGI-QGZVFWFLSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC(C)(C)CC)C2 ZINC001271736801 808781115 /nfs/dbraw/zinc/78/11/15/808781115.db2.gz QDQRLJDQGPFUAY-MUJYYYPQSA-N 1 1 292.467 3.358 20 30 CGEDMO CC#CC[N@H+](C)CCC1CCN(C(=O)C[C@H](C)CC)CC1 ZINC001271771895 808783857 /nfs/dbraw/zinc/78/38/57/808783857.db2.gz BSTQAKITCDLPMW-MRXNPFEDSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)c1ccsc1 ZINC001271957764 808791000 /nfs/dbraw/zinc/79/10/00/808791000.db2.gz NXHFNBQPAOQOKY-CYBMUJFWSA-N 1 1 280.437 3.107 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CC=CCC1 ZINC001271962217 808791013 /nfs/dbraw/zinc/79/10/13/808791013.db2.gz INBNNXXOHYROAV-HZPDHXFCSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)/C(C)=C/CC ZINC001272003050 808791723 /nfs/dbraw/zinc/79/17/23/808791723.db2.gz BLFFNCGUYIMGDJ-NVCKSXSZSA-N 1 1 290.451 3.374 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)CCN(C)C(=O)/C=C(/C)CC ZINC001272004677 808792109 /nfs/dbraw/zinc/79/21/09/808792109.db2.gz KIWDRIMBJQIKAM-SEWDUPMJSA-N 1 1 266.429 3.088 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2C/C=C/Cl ZINC001272032980 808794002 /nfs/dbraw/zinc/79/40/02/808794002.db2.gz GSQUNQJHWYBDIF-PHGPQXGHSA-N 1 1 296.842 3.161 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)C12CCC(CC1)C2 ZINC001272048766 808795076 /nfs/dbraw/zinc/79/50/76/808795076.db2.gz KJIMXOQUBWJCOO-HJOIGYKYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)c1ccc(Cl)cc1 ZINC001272158524 808798776 /nfs/dbraw/zinc/79/87/76/808798776.db2.gz NGKKQWCQRVBFMB-UHFFFAOYSA-N 1 1 294.826 3.310 20 30 CGEDMO C=CCN1c2ccccc2[C@@]2(CC[N@H+](CCC(C)C)C2)C1=O ZINC001272448730 808809228 /nfs/dbraw/zinc/80/92/28/808809228.db2.gz MHKJLSYMJGGTTC-IBGZPJMESA-N 1 1 298.430 3.209 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC(=C)C ZINC001272699147 808821826 /nfs/dbraw/zinc/82/18/26/808821826.db2.gz BCSSYWNGIPMIQT-IAGOWNOFSA-N 1 1 290.451 3.374 20 30 CGEDMO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2ccc(C)cc2)C1=O ZINC001272972004 808828809 /nfs/dbraw/zinc/82/88/09/808828809.db2.gz NZDFOZVHWBTRLE-IBGZPJMESA-N 1 1 298.430 3.138 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@H+](CC/C=C\CC)CC2)C1=O ZINC001273420464 808843015 /nfs/dbraw/zinc/84/30/15/808843015.db2.gz DFSYERFVPPUYDW-OOFWQKGWSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2[C@@H](C)CC ZINC001273495046 808849986 /nfs/dbraw/zinc/84/99/86/808849986.db2.gz MKKNPMDWKLXNBR-ARFHVFGLSA-N 1 1 278.440 3.207 20 30 CGEDMO C=C(C)CN1CC[C@]2(CCC[N@H+]2CC2CCCCC2)C1=O ZINC001273508787 808850335 /nfs/dbraw/zinc/85/03/35/808850335.db2.gz GVSJTOWIDJMYNI-GOSISDBHSA-N 1 1 290.451 3.210 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)[C@@H](C)c1cccs1 ZINC001273561062 808855526 /nfs/dbraw/zinc/85/55/26/808855526.db2.gz URXXGZILMGDZTA-AWEZNQCLSA-N 1 1 294.464 3.208 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1Cc2ccccc2C[N@@H+]1CCC=C ZINC001273814771 808862132 /nfs/dbraw/zinc/86/21/32/808862132.db2.gz RSYABLQIVZPFCB-SFHVURJKSA-N 1 1 298.430 3.072 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@](C)(F)CCCC)C(C)(C)C1 ZINC001274436778 808876001 /nfs/dbraw/zinc/87/60/01/808876001.db2.gz PRFVBPOHQHRVEY-PBHICJAKSA-N 1 1 298.446 3.308 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2(CC)CC2)C(C)(C)C1 ZINC001274454723 808877300 /nfs/dbraw/zinc/87/73/00/808877300.db2.gz QEQKTFLJMUIZAR-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)C2(C)CC(=C)C2)C[C@H]1C ZINC001274643849 808879770 /nfs/dbraw/zinc/87/97/70/808879770.db2.gz MDISVGNOZQBBMG-HZPDHXFCSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CC[N@H+](CCC)[C@H](C)C1 ZINC001274622219 808880472 /nfs/dbraw/zinc/88/04/72/808880472.db2.gz BIGSHWIFHQMXBM-ZBFHGGJFSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCCCN1CC2(C1)CC[N@@H+](CCCC(F)(F)F)C2 ZINC001274962582 808895401 /nfs/dbraw/zinc/89/54/01/808895401.db2.gz PBLMZVXHURDPIA-UHFFFAOYSA-N 1 1 290.373 3.303 20 30 CGEDMO C=CCCCN1CC2(C1)CC[N@H+](CCCC(F)(F)F)C2 ZINC001274962582 808895407 /nfs/dbraw/zinc/89/54/07/808895407.db2.gz PBLMZVXHURDPIA-UHFFFAOYSA-N 1 1 290.373 3.303 20 30 CGEDMO CCCCCCCC[N@H+]1CCC[C@@]2(CN(C)CCO2)C1 ZINC001275131448 808913714 /nfs/dbraw/zinc/91/37/14/808913714.db2.gz RPGOEPXWAGOFBO-QGZVFWFLSA-N 1 1 282.472 3.144 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@@H]2C[N@H+](C)C[C@@H](C)CC)C1 ZINC001275143415 808915338 /nfs/dbraw/zinc/91/53/38/808915338.db2.gz LNZUPWAPSBLDLO-GOEBONIOSA-N 1 1 292.467 3.312 20 30 CGEDMO N#Cc1cccc(CN2CC[C@H]3[C@@H]2CC[N@H+]3C2CCCC2)c1 ZINC001275290737 808927183 /nfs/dbraw/zinc/92/71/83/808927183.db2.gz ZDRCTXWRQFKMGZ-OALUTQOASA-N 1 1 295.430 3.149 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)c1cc(C)cs1 ZINC001275552123 808947257 /nfs/dbraw/zinc/94/72/57/808947257.db2.gz OPAGILNOLKUZQS-KGLIPLIRSA-N 1 1 294.464 3.461 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)CC(C)=C(C)C ZINC001275622307 808952772 /nfs/dbraw/zinc/95/27/72/808952772.db2.gz NTTOQHJGTIZBEM-OAHLLOKOSA-N 1 1 266.429 3.136 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)c1cccc2[nH]ccc21 ZINC001275659467 808955966 /nfs/dbraw/zinc/95/59/66/808955966.db2.gz VLXUGKKXXIVXME-AWEZNQCLSA-N 1 1 299.418 3.184 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)C[C@H](C)CC(C)C ZINC001275697189 808958385 /nfs/dbraw/zinc/95/83/85/808958385.db2.gz GITXRYMICUIWQA-CABCVRRESA-N 1 1 268.445 3.071 20 30 CGEDMO C=CC[N@H+](C)C[C@H](C)NC(=O)CCCc1ccc(C)s1 ZINC001275736939 808961569 /nfs/dbraw/zinc/96/15/69/808961569.db2.gz DAHIBXSCBVSJJO-ZDUSSCGKSA-N 1 1 294.464 3.002 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)C1CCC2(CC2)CC1 ZINC001275882399 808973982 /nfs/dbraw/zinc/97/39/82/808973982.db2.gz NLJJXQGTRUVOAF-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)C(C)C)c1ccccc1 ZINC001276000723 808983855 /nfs/dbraw/zinc/98/38/55/808983855.db2.gz BJJBOBYVKDYDCK-DOTOQJQBSA-N 1 1 288.435 3.191 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)/C(C)=C\CC ZINC001276288225 808998875 /nfs/dbraw/zinc/99/88/75/808998875.db2.gz AVHWBDVRVBPSMU-JEMSNHSXSA-N 1 1 298.858 3.456 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)/C(C)=C\CC ZINC001276288225 808998877 /nfs/dbraw/zinc/99/88/77/808998877.db2.gz AVHWBDVRVBPSMU-JEMSNHSXSA-N 1 1 298.858 3.456 20 30 CGEDMO C=CCCCC(=O)NC[C@@H]1CCCCC[N@@H+]1C/C=C\Cl ZINC001276319289 809000864 /nfs/dbraw/zinc/00/08/64/809000864.db2.gz JSMLOYOVYBJMBF-QIENPNARSA-N 1 1 298.858 3.456 20 30 CGEDMO CC#CCCCC(=O)NC[C@@H]1CC[N@H+]1[C@@H](C)c1ccccc1 ZINC001276909064 809043535 /nfs/dbraw/zinc/04/35/35/809043535.db2.gz MLMRXBIJRXOIDB-WMZOPIPTSA-N 1 1 298.430 3.132 20 30 CGEDMO N#Cc1ccc(N2CC[C@H]3C[N@H+](C4CCCC4)C[C@H]32)cc1 ZINC001276960910 809049987 /nfs/dbraw/zinc/04/99/87/809049987.db2.gz XBRMGWZFNIACFV-MAUKXSAKSA-N 1 1 281.403 3.011 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]2C[C@@]21C(=O)NC(C)(C)C ZINC001277151515 809059328 /nfs/dbraw/zinc/05/93/28/809059328.db2.gz KRTNDGGXPRCVOK-PBHICJAKSA-N 1 1 278.440 3.112 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@H]2C[C@]21C(=O)N(C)C ZINC001277232901 809064943 /nfs/dbraw/zinc/06/49/43/809064943.db2.gz DNZONCLSCVYAEC-DOTOQJQBSA-N 1 1 280.456 3.290 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC)C1 ZINC001277286270 809067484 /nfs/dbraw/zinc/06/74/84/809067484.db2.gz XCHYUOSATWUKIH-HOTGVXAUSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)CCCC)C2)C1 ZINC001277503058 809077481 /nfs/dbraw/zinc/07/74/81/809077481.db2.gz WHVRYCLTWOMCNK-KRWDZBQOSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCC[NH+]1CC(N(C)C(=O)[C@@H](C)[C@@H](C)C(C)(C)C)C1 ZINC001277671584 809088206 /nfs/dbraw/zinc/08/82/06/809088206.db2.gz XSPPAJCNGNGBHF-UONOGXRCSA-N 1 1 280.456 3.023 20 30 CGEDMO CCCC[C@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N2CCCC#N ZINC001277943291 809107807 /nfs/dbraw/zinc/10/78/07/809107807.db2.gz RESCQSKAJYITFL-YESZJQIVSA-N 1 1 277.456 3.265 20 30 CGEDMO C=CCCCCCCCCC[N@@H+]1CC[C@H]2C[C@]21C(N)=O ZINC001277977561 809109444 /nfs/dbraw/zinc/10/94/44/809109444.db2.gz MNJFYMXRJTUMMD-DOTOQJQBSA-N 1 1 278.440 3.243 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)CC2CCCCC2)C1 ZINC001278358870 809126870 /nfs/dbraw/zinc/12/68/70/809126870.db2.gz ZXBNZPUULHLJNA-QGZVFWFLSA-N 1 1 278.440 3.114 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@](C)(NC(=O)CCCCC(C)(C)C)C1 ZINC001278396040 809130403 /nfs/dbraw/zinc/13/04/03/809130403.db2.gz LXJKMPIVECKZFI-GOSISDBHSA-N 1 1 292.467 3.197 20 30 CGEDMO C#CCCCCCC(=O)N[C@]1(C)CC[N@H+](C[C@@H](C)CC)C1 ZINC001278414282 809131125 /nfs/dbraw/zinc/13/11/25/809131125.db2.gz RAKDXLRGUGHFSF-FUHWJXTLSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)/C=C(\C)CC)[C@@H]1C ZINC001278504972 809139435 /nfs/dbraw/zinc/13/94/35/809139435.db2.gz GZKPROVFPJDOEZ-VTKSRCSTSA-N 1 1 284.831 3.064 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)/C=C(\C)CC)[C@@H]1C ZINC001278504972 809139437 /nfs/dbraw/zinc/13/94/37/809139437.db2.gz GZKPROVFPJDOEZ-VTKSRCSTSA-N 1 1 284.831 3.064 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)CC(C)=C(C)C)[C@@H]1C ZINC001278520887 809140328 /nfs/dbraw/zinc/14/03/28/809140328.db2.gz KAEDXBPNSKVNEW-JKSUJKDBSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C(C)C[N@@H+](C)CCc1ccc2c(c1)OC(F)(F)O2 ZINC001174742614 809149548 /nfs/dbraw/zinc/14/95/48/809149548.db2.gz NOTQKTGRIMCARC-UHFFFAOYSA-N 1 1 269.291 3.059 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@]2(C)CC=CCC2)C1 ZINC001278662666 809150499 /nfs/dbraw/zinc/15/04/99/809150499.db2.gz DPUHIBCTOZIVNY-ZWKOTPCHSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)C2(CCC)CCC2)C1 ZINC001278673376 809150887 /nfs/dbraw/zinc/15/08/87/809150887.db2.gz RUGANHPEKBVNLZ-KRWDZBQOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CC[N@@H+]1CCC[C@](C)(CNC(=O)C2(CC=C)CCC2)C1 ZINC001278678327 809151471 /nfs/dbraw/zinc/15/14/71/809151471.db2.gz PSVZMYMCIZYZTB-QGZVFWFLSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)/C(C)=C\C)CC1 ZINC001279527227 809173753 /nfs/dbraw/zinc/17/37/53/809173753.db2.gz CCOLTSJSOFCVLU-HWIKDYBBSA-N 1 1 276.424 3.056 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)C2(CCC)CC2)CC1 ZINC001279637566 809177088 /nfs/dbraw/zinc/17/70/88/809177088.db2.gz YMVCPHTVDAXCNZ-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC001174891814 809192502 /nfs/dbraw/zinc/19/25/02/809192502.db2.gz XCKAGYVQYJADHP-LLVKDONJSA-N 1 1 296.773 3.316 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C2(C)CC(=C)C2)CC1 ZINC001280756371 809197820 /nfs/dbraw/zinc/19/78/20/809197820.db2.gz JTRUCSRSMPTQJX-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)[C@H]1C[C@]1(C)C(C)C ZINC001280872556 809203127 /nfs/dbraw/zinc/20/31/27/809203127.db2.gz GSJBDQDYKMPBLZ-SJLPKXTDSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCCC(=O)N1CCC[C@]2(CC[N@H+](CC(=C)Cl)C2)C1 ZINC001281086752 809206061 /nfs/dbraw/zinc/20/60/61/809206061.db2.gz RDFJTMDDWQUEDV-MRXNPFEDSA-N 1 1 296.842 3.020 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@]2(CC[N@H+](CCC(=C)C)C2)C1 ZINC001281085753 809206387 /nfs/dbraw/zinc/20/63/87/809206387.db2.gz MLCXXWDGRANOJL-SFHVURJKSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)CC(C)C)C(C)(C)C1 ZINC001281572660 809214867 /nfs/dbraw/zinc/21/48/67/809214867.db2.gz ULSWNXUPLCMZOB-HOTGVXAUSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)/C=C(\C)CC)C[C@H]1C ZINC001281665522 809216719 /nfs/dbraw/zinc/21/67/19/809216719.db2.gz RVAXHYOZGIYNDJ-GELOPOQCSA-N 1 1 284.831 3.064 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)/C=C(\C)CC)C[C@H]1C ZINC001281665522 809216721 /nfs/dbraw/zinc/21/67/21/809216721.db2.gz RVAXHYOZGIYNDJ-GELOPOQCSA-N 1 1 284.831 3.064 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]1C[N@@H+](C)CCC1CCCC1 ZINC001281916925 809223209 /nfs/dbraw/zinc/22/32/09/809223209.db2.gz PJCFZHWRXMLKSG-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)C12CCC(CC1)CC2 ZINC001282498165 809252714 /nfs/dbraw/zinc/25/27/14/809252714.db2.gz VWUMLOJKGYHZCP-HJOIGYKYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)[C@H](CC)CC(C)C)C(C)(C)C1 ZINC001282833385 809264567 /nfs/dbraw/zinc/26/45/67/809264567.db2.gz NPRSBEJNXXRUJB-CABCVRRESA-N 1 1 280.456 3.071 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)CCC)C[C@H]2C1 ZINC001282957533 809266277 /nfs/dbraw/zinc/26/62/77/809266277.db2.gz GYDJRHIANRYAKG-JYJNAYRXSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)CCC(C)C)CCC[C@H]12 ZINC001284033557 809294106 /nfs/dbraw/zinc/29/41/06/809294106.db2.gz XRVOWNBMNIOLCG-GOEBONIOSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)CCC(C)C)CCC[C@H]12 ZINC001284033557 809294108 /nfs/dbraw/zinc/29/41/08/809294108.db2.gz XRVOWNBMNIOLCG-GOEBONIOSA-N 1 1 298.858 3.288 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)CC)[C@H]1C ZINC001284103356 809296848 /nfs/dbraw/zinc/29/68/48/809296848.db2.gz TYLUHCJLFJQKGY-CABCVRRESA-N 1 1 266.429 3.112 20 30 CGEDMO C=CCCC(=O)N[C@H]1CCC[N@H+](CCCC(C)C)[C@@H]1C ZINC001284122218 809296941 /nfs/dbraw/zinc/29/69/41/809296941.db2.gz RZTAQQWGBGWQGM-CVEARBPZSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CNC(=O)c2cccc(C)c2)CC1 ZINC001284880589 809320154 /nfs/dbraw/zinc/32/01/54/809320154.db2.gz LVNAPLDKRMVTKQ-UHFFFAOYSA-N 1 1 298.430 3.323 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)C[C@@H]2CC=CCC2)CC1 ZINC001284947004 809320962 /nfs/dbraw/zinc/32/09/62/809320962.db2.gz OERVORZEHUIUDI-MRXNPFEDSA-N 1 1 288.435 3.057 20 30 CGEDMO C#CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1C)C(C)(C)C ZINC001176281447 809659378 /nfs/dbraw/zinc/65/93/78/809659378.db2.gz NQLNIHJUQBDDGH-UHFFFAOYSA-N 1 1 292.810 3.321 20 30 CGEDMO C#CC[N@H+](CC(=O)Nc1ccc(Cl)cc1C)C(C)(C)C ZINC001176281447 809659380 /nfs/dbraw/zinc/65/93/80/809659380.db2.gz NQLNIHJUQBDDGH-UHFFFAOYSA-N 1 1 292.810 3.321 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)c2cccnc12)C(C)C ZINC001176373715 809682040 /nfs/dbraw/zinc/68/20/40/809682040.db2.gz XOMAVPRMABUJBV-UHFFFAOYSA-N 1 1 256.324 3.218 20 30 CGEDMO C#CCC1([NH2+]Cc2cc(Cl)cc(C(C)=O)c2O)CCC1 ZINC001176382431 809683205 /nfs/dbraw/zinc/68/32/05/809683205.db2.gz ZRYYCNYOEXAGMA-UHFFFAOYSA-N 1 1 291.778 3.284 20 30 CGEDMO C=CCn1cc(Nc2ccc(Cn3cc[nH+]c3C)cc2)cn1 ZINC001176546152 809714455 /nfs/dbraw/zinc/71/44/55/809714455.db2.gz PEGJSBIMQDPTCW-UHFFFAOYSA-N 1 1 293.374 3.366 20 30 CGEDMO C=CCC[C@@H]1CCC[N@H+]1Cc1cccc2c1OCCO2 ZINC001176767448 809758888 /nfs/dbraw/zinc/75/88/88/809758888.db2.gz JSLFBKRQMNRRBT-OAHLLOKOSA-N 1 1 273.376 3.388 20 30 CGEDMO C=CCOc1cccc(CNC(C)(C)C[N@H+](C)CCC)c1 ZINC001179228312 809909540 /nfs/dbraw/zinc/90/95/40/809909540.db2.gz GITCBKUUUQZGNA-UHFFFAOYSA-N 1 1 290.451 3.461 20 30 CGEDMO C=CCOc1cccc(C[NH2+]C(C)(C)CN(C)CCC)c1 ZINC001179228312 809909544 /nfs/dbraw/zinc/90/95/44/809909544.db2.gz GITCBKUUUQZGNA-UHFFFAOYSA-N 1 1 290.451 3.461 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)C[C@@](C)(OC)C1CC1 ZINC001180030764 809968117 /nfs/dbraw/zinc/96/81/17/809968117.db2.gz OOPWVNUVMYWWSP-MRXNPFEDSA-N 1 1 266.429 3.453 20 30 CGEDMO C=CCN1CC[C@H]([N@H+](C)C[C@@H](C)CC2CCCCC2)C1=O ZINC001181244347 810043924 /nfs/dbraw/zinc/04/39/24/810043924.db2.gz PWXFENYVZBWKNY-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C[C@H](C#N)c1ccc(NC(=O)[C@@H]2CCC[N@H+]2CC2CC2)cc1 ZINC001182554330 810115127 /nfs/dbraw/zinc/11/51/27/810115127.db2.gz FSDOEEMOBREALL-DYVFJYSZSA-N 1 1 297.402 3.127 20 30 CGEDMO C#CCC[N@H+](CCOC)C[C@H]1CCCC(C)(C)C1 ZINC001183053195 810135250 /nfs/dbraw/zinc/13/52/50/810135250.db2.gz JPQLLFQSQGBERT-HNNXBMFYSA-N 1 1 251.414 3.175 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](C2CCN(C(C)=O)CC2)CC1 ZINC001186570326 810347780 /nfs/dbraw/zinc/34/77/80/810347780.db2.gz WNLBDEJHOUEFDE-KRWDZBQOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)C2CCC2)C1 ZINC001188579395 810488780 /nfs/dbraw/zinc/48/87/80/810488780.db2.gz FRKDTVXEVNIGQC-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccco2)C1 ZINC001188643883 810498645 /nfs/dbraw/zinc/49/86/45/810498645.db2.gz YBRJLRVLTITAIR-OAHLLOKOSA-N 1 1 292.423 3.396 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccoc2)C1 ZINC001188851301 810519201 /nfs/dbraw/zinc/51/92/01/810519201.db2.gz DYSGZOFUBGSFRO-MRXNPFEDSA-N 1 1 290.407 3.172 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccoc2)C1 ZINC001188869101 810519667 /nfs/dbraw/zinc/51/96/67/810519667.db2.gz CLLKOYHRGJIATA-MRXNPFEDSA-N 1 1 292.423 3.396 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C=C)CC)[C@@H]2C1 ZINC001188894960 810521705 /nfs/dbraw/zinc/52/17/05/810521705.db2.gz DUZWXCMAJLLEJM-IXDOHACOSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)CCCCC)C1 ZINC001188916420 810523111 /nfs/dbraw/zinc/52/31/11/810523111.db2.gz YIAPAULIJMZECQ-CVEARBPZSA-N 1 1 280.456 3.454 20 30 CGEDMO C=CCCC(=O)N1CC[C@@H]([N@@H+](C)CCC2=CCCCC2)C1 ZINC001189319311 810558300 /nfs/dbraw/zinc/55/83/00/810558300.db2.gz WYVXVLGLALJZPA-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)/C=C/C(C)(C)C)C1 ZINC001189449402 810570969 /nfs/dbraw/zinc/57/09/69/810570969.db2.gz KUVVDLPOVQWXNX-SLZMIMFISA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CCC(C)(C)C)[C@@H]2C1 ZINC001189484140 810572325 /nfs/dbraw/zinc/57/23/25/810572325.db2.gz DTTCKQSMAROPPD-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CCCCCC(=O)N1CC[C@@H]([N@H+](C)[C@@H](C)CCC=C)C1 ZINC001189744352 810587250 /nfs/dbraw/zinc/58/72/50/810587250.db2.gz QKJRXHANQHSQRK-DLBZAZTESA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)CC(C)(C)C2CC2)C1 ZINC001189984687 810600595 /nfs/dbraw/zinc/60/05/95/810600595.db2.gz UXEIXYMLIAHYFG-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)CC(C)(C)C2CC2)C1 ZINC001189985318 810600617 /nfs/dbraw/zinc/60/06/17/810600617.db2.gz ZEFKNMBJUQUNCY-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)CCCC[C@H](C)CC)C1 ZINC001190371949 810624188 /nfs/dbraw/zinc/62/41/88/810624188.db2.gz XFDYBSGTFIBENI-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@@H]([N@@H+](C)CC2CCCC2)C1 ZINC001190391202 810625631 /nfs/dbraw/zinc/62/56/31/810625631.db2.gz XRKKQABJFYRWMW-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@@H]([N@@H+](C)CC2CCCCC2)C1 ZINC001190436563 810628486 /nfs/dbraw/zinc/62/84/86/810628486.db2.gz WMQODAVJCDOFIY-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H]2C=CCCC2)C1 ZINC001190879058 810653442 /nfs/dbraw/zinc/65/34/42/810653442.db2.gz NVRVQOKQUXFFCZ-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO Cc1ccc(O)c(Nc2sc3c(c2C#N)CC[N@H+](C)C3)c1 ZINC001214219162 815386779 /nfs/dbraw/zinc/38/67/79/815386779.db2.gz YPDBBIOQTYAXTA-UHFFFAOYSA-N 1 1 299.399 3.365 20 30 CGEDMO CCCCCCCCNC(=O)N1CC[N@@H+](C(C)C)[C@@H](C)C1 ZINC001191070023 810669457 /nfs/dbraw/zinc/66/94/57/810669457.db2.gz YSOOWFQPPZETOQ-INIZCTEOSA-N 1 1 297.487 3.471 20 30 CGEDMO CCCCCCCCNC(=O)NCC[C@@H]1CCC[N@H+]1C ZINC001191075121 810670931 /nfs/dbraw/zinc/67/09/31/810670931.db2.gz NVDCFWHEWZOXIV-HNNXBMFYSA-N 1 1 283.460 3.130 20 30 CGEDMO CCCCCCCNC(=O)N1CC[C@@H]([N@@H+](C)C(C)C)C1 ZINC001191100976 810675182 /nfs/dbraw/zinc/67/51/82/810675182.db2.gz GIRMTCNQBSIRDX-OAHLLOKOSA-N 1 1 283.460 3.081 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C2(C)CCCC2)C1 ZINC001191608588 810728127 /nfs/dbraw/zinc/72/81/27/810728127.db2.gz SIYISJVOXRFAFS-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CCCC2CC2)C1 ZINC001191890874 810753814 /nfs/dbraw/zinc/75/38/14/810753814.db2.gz VPIKRIQXDPCSRN-NVXWUHKLSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]([N@@H+](C)CCCCCF)C1 ZINC001191901029 810755819 /nfs/dbraw/zinc/75/58/19/810755819.db2.gz FMUVIRLJAKYFMW-HZPDHXFCSA-N 1 1 298.446 3.261 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]([N@H+](C)CCCCC)C1 ZINC001192094846 810769497 /nfs/dbraw/zinc/76/94/97/810769497.db2.gz WYYLOJOBAQNIIE-HNNXBMFYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@H]([N@@H+](C)CCC(C)C)C1 ZINC001192160288 810772851 /nfs/dbraw/zinc/77/28/51/810772851.db2.gz CTGRGHWIMBDVCT-RDJZCZTQSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@H]([N@@H+](C)CCC3CC3)C2)CCC1 ZINC001192226433 810778431 /nfs/dbraw/zinc/77/84/31/810778431.db2.gz IKNQWEDZYLAAFC-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C#CCCCCCC[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC001192744307 810819592 /nfs/dbraw/zinc/81/95/92/810819592.db2.gz CRQXJKYWBYHADO-HOTGVXAUSA-N 1 1 251.414 3.053 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)c2csc(C)c2)C1 ZINC001192848868 810825315 /nfs/dbraw/zinc/82/53/15/810825315.db2.gz YALMMKSPDBFFRU-HNNXBMFYSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)CCC2(C)CC2)C1 ZINC001193258062 810868005 /nfs/dbraw/zinc/86/80/05/810868005.db2.gz PWTOYXOPWKZJLF-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(C)cc2)C1 ZINC001193664325 810931446 /nfs/dbraw/zinc/93/14/46/810931446.db2.gz VBLHPIVUCLYYMN-QGZVFWFLSA-N 1 1 286.419 3.108 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC001193713406 810940274 /nfs/dbraw/zinc/94/02/74/810940274.db2.gz GIRIUFIJCCNNQG-FZKQIMNGSA-N 1 1 286.419 3.158 20 30 CGEDMO CCCCCCCCCC[N@H+]1CC(=O)NCC1(C)C ZINC001193753915 810948401 /nfs/dbraw/zinc/94/84/01/810948401.db2.gz NEMFMFKIDOXISC-UHFFFAOYSA-N 1 1 268.445 3.338 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(C)c(C)c2)C1 ZINC001193816340 810960640 /nfs/dbraw/zinc/96/06/40/810960640.db2.gz PNZJCTGTYODEEB-KRWDZBQOSA-N 1 1 286.419 3.026 20 30 CGEDMO C=CC[C@@H]1[N@@H+](CCCCC(=O)OC)CCCC1(C)C ZINC001193919521 810980381 /nfs/dbraw/zinc/98/03/81/810980381.db2.gz ALRUKBIJDYTUJC-AWEZNQCLSA-N 1 1 267.413 3.396 20 30 CGEDMO CCCCCCCOC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001194013340 811001004 /nfs/dbraw/zinc/00/10/04/811001004.db2.gz VLQIAZNEUOBFBN-QDMKHBRRSA-N 1 1 282.428 3.308 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001194173379 811026732 /nfs/dbraw/zinc/02/67/32/811026732.db2.gz AJCCTJXYCNKRLE-SJLPKXTDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CC=C)C1)c1ccccc1 ZINC001194174864 811027759 /nfs/dbraw/zinc/02/77/59/811027759.db2.gz ZGXXUKPKBSHJQU-MSOLQXFVSA-N 1 1 298.430 3.065 20 30 CGEDMO C=CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CC=C)C1)c1ccccc1 ZINC001194174865 811028228 /nfs/dbraw/zinc/02/82/28/811028228.db2.gz ZGXXUKPKBSHJQU-QZTJIDSGSA-N 1 1 298.430 3.065 20 30 CGEDMO C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@](C)(CC)CCCCC)C1 ZINC001194326268 811052270 /nfs/dbraw/zinc/05/22/70/811052270.db2.gz NHXSRINJTWMZJF-WMZOPIPTSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001194898435 811165757 /nfs/dbraw/zinc/16/57/57/811165757.db2.gz HVULYABBHUFOIB-GJZGRUSLSA-N 1 1 296.455 3.435 20 30 CGEDMO C=CCCCCC[N@H+]1CCCN(C(=O)C=C2CCC2)CC1 ZINC001195466403 811257814 /nfs/dbraw/zinc/25/78/14/811257814.db2.gz MKPJOKOYOVJVGY-UHFFFAOYSA-N 1 1 290.451 3.377 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCN(C(=O)C2CC(C)C2)CC1 ZINC001195466518 811257830 /nfs/dbraw/zinc/25/78/30/811257830.db2.gz OZHGUJBDQKWWJY-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)c2coc(C)c2)CC1 ZINC001195604862 811269664 /nfs/dbraw/zinc/26/96/64/811269664.db2.gz KYZDATRMGRYVAC-AWEZNQCLSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(F)c2)C1 ZINC001195947792 811303624 /nfs/dbraw/zinc/30/36/24/811303624.db2.gz XVKFCZYFABHAEQ-CQSZACIVSA-N 1 1 290.382 3.442 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@H](C)C2CCC2)CC1 ZINC001196259659 811328638 /nfs/dbraw/zinc/32/86/38/811328638.db2.gz NHYUAYJNSXTKAR-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)[C@](C)(F)CCCC)CC1 ZINC001196357502 811335875 /nfs/dbraw/zinc/33/58/75/811335875.db2.gz GBLJUMWCFFQBAG-MRXNPFEDSA-N 1 1 284.419 3.015 20 30 CGEDMO C=CC[C@H](C(=O)OC)[N@H+]1CCC[C@H](C2CCCCC2)C1 ZINC001196411198 811341403 /nfs/dbraw/zinc/34/14/03/811341403.db2.gz ZSCLWRACDAFYGX-JKSUJKDBSA-N 1 1 279.424 3.396 20 30 CGEDMO C[C@H]([NH2+]CC#Cc1ccccc1Cl)c1ccns1 ZINC001196676258 811357538 /nfs/dbraw/zinc/35/75/38/811357538.db2.gz RIPDSJHKXILUOG-NSHDSACASA-N 1 1 276.792 3.499 20 30 CGEDMO C=CCCCC(=O)N1CCC[N@H+](CC2CC(C)(C)C2)CC1 ZINC001196999948 811388398 /nfs/dbraw/zinc/38/83/98/811388398.db2.gz FCRSMVUESSQSQN-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCCC(=O)N1CCC[N@H+](CC/C=C\CC)CC1 ZINC001197000195 811388550 /nfs/dbraw/zinc/38/85/50/811388550.db2.gz LNGXRLXXEARLAQ-ALCCZGGFSA-N 1 1 278.440 3.233 20 30 CGEDMO C=CC[N@H+]1CCCN(C(=O)CC/C=C\c2ccccc2)CC1 ZINC001197158947 811402877 /nfs/dbraw/zinc/40/28/77/811402877.db2.gz ZDYQPGURWICYKQ-WDZFZDKYSA-N 1 1 298.430 3.200 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H](C)[C@@H](C)CC)CC1 ZINC001197595860 811431188 /nfs/dbraw/zinc/43/11/88/811431188.db2.gz DRCXJQLIPJGFPA-JKSUJKDBSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)[C@@H](F)CCCCCC)CC1 ZINC001197823866 811455149 /nfs/dbraw/zinc/45/51/49/811455149.db2.gz IENLIKOAVAHSTI-INIZCTEOSA-N 1 1 298.446 3.405 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)C[C@H](CC)C(C)C)CC1 ZINC001197885431 811460640 /nfs/dbraw/zinc/46/06/40/811460640.db2.gz GTZPVGOQPIZYEJ-INIZCTEOSA-N 1 1 280.456 3.169 20 30 CGEDMO CC#CC[N@H+]1CCCN(C(=O)[C@H](CCC)CC(C)C)CC1 ZINC001198316051 811491003 /nfs/dbraw/zinc/49/10/03/811491003.db2.gz RCMZLWHLGUTBFC-QGZVFWFLSA-N 1 1 292.467 3.006 20 30 CGEDMO CC#CC[N@@H+]1CCCN(C(=O)[C@H](CCC)CC(C)C)CC1 ZINC001198316051 811491006 /nfs/dbraw/zinc/49/10/06/811491006.db2.gz RCMZLWHLGUTBFC-QGZVFWFLSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@](CC)(C(=O)OC(C)(C)C)C1 ZINC001198309116 811491132 /nfs/dbraw/zinc/49/11/32/811491132.db2.gz IWDYAEXHVMTPIV-KRWDZBQOSA-N 1 1 297.439 3.023 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001198354459 811494573 /nfs/dbraw/zinc/49/45/73/811494573.db2.gz GSPFRLSPWKSIMV-ZIAGYGMSSA-N 1 1 282.428 3.045 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1C[C@H]1CCCC[C@@H]1C(=O)OC ZINC001198414131 811499640 /nfs/dbraw/zinc/49/96/40/811499640.db2.gz CILFREBTMOCSNH-OAGGEKHMSA-N 1 1 279.424 3.396 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC001198490829 811508259 /nfs/dbraw/zinc/50/82/59/811508259.db2.gz LEOMCWAHSHKNAE-DZGCQCFKSA-N 1 1 290.794 3.096 20 30 CGEDMO CCc1ccc2c(c1)C[N@H+](C[C@H](O)CC1(C#N)CCC1)CC2 ZINC001198851397 811548716 /nfs/dbraw/zinc/54/87/16/811548716.db2.gz HJTVWOGLLTWYTM-GOSISDBHSA-N 1 1 298.430 3.052 20 30 CGEDMO CCCCCCCCCCNC(=S)N[C@@H]1CC[N@@H+](C)C1 ZINC001200217783 811646029 /nfs/dbraw/zinc/64/60/29/811646029.db2.gz VIBFLZNNZVIVII-OAHLLOKOSA-N 1 1 299.528 3.295 20 30 CGEDMO C=CCN1C(=O)CCC[C@@]12CCC[N@H+](C[C@@H](C)CC)C2 ZINC001201501701 811871258 /nfs/dbraw/zinc/87/12/58/811871258.db2.gz LJGJPIURKLXFOE-RDJZCZTQSA-N 1 1 278.440 3.066 20 30 CGEDMO CC[C@H](C)C[N@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001201516043 811878008 /nfs/dbraw/zinc/87/80/08/811878008.db2.gz TZQFRVQIJMTODE-GOEBONIOSA-N 1 1 272.392 3.448 20 30 CGEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+](CC(CC)CC)C2 ZINC001201523663 811884690 /nfs/dbraw/zinc/88/46/90/811884690.db2.gz UHAUVWKSXYPKIT-GOSISDBHSA-N 1 1 292.467 3.456 20 30 CGEDMO CCCC[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001201723128 811947154 /nfs/dbraw/zinc/94/71/54/811947154.db2.gz SCJKXTMEIWWRSS-INIZCTEOSA-N 1 1 258.365 3.202 20 30 CGEDMO CCCCCCC[N@@H+]1CCN2C(=O)c3ccccc3[C@@H]2C1 ZINC001201762820 811963397 /nfs/dbraw/zinc/96/33/97/811963397.db2.gz WSOMYAFUCGXIII-KRWDZBQOSA-N 1 1 286.419 3.470 20 30 CGEDMO CCCCCCC[N@H+]1CCN2C(=O)c3ccccc3[C@@H]2C1 ZINC001201762820 811963399 /nfs/dbraw/zinc/96/33/99/811963399.db2.gz WSOMYAFUCGXIII-KRWDZBQOSA-N 1 1 286.419 3.470 20 30 CGEDMO CCCCCCC[N@@H+]1CCn2c(COC)cnc2[C@@H]1C ZINC001201762763 811963500 /nfs/dbraw/zinc/96/35/00/811963500.db2.gz TZHQEYRXECYUAE-AWEZNQCLSA-N 1 1 279.428 3.377 20 30 CGEDMO CCCCCCC[N@H+]1CCn2c(COC)cnc2[C@@H]1C ZINC001201762763 811963502 /nfs/dbraw/zinc/96/35/02/811963502.db2.gz TZHQEYRXECYUAE-AWEZNQCLSA-N 1 1 279.428 3.377 20 30 CGEDMO CCCCCCC[N@@H+]1CCN2C(=O)c3ccccc3[C@H]2C1 ZINC001201762821 811963657 /nfs/dbraw/zinc/96/36/57/811963657.db2.gz WSOMYAFUCGXIII-QGZVFWFLSA-N 1 1 286.419 3.470 20 30 CGEDMO CCCCCCC[N@H+]1CCN2C(=O)c3ccccc3[C@H]2C1 ZINC001201762821 811963660 /nfs/dbraw/zinc/96/36/60/811963660.db2.gz WSOMYAFUCGXIII-QGZVFWFLSA-N 1 1 286.419 3.470 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@]2(CCN2c2ncccn2)C1 ZINC001201762465 811963676 /nfs/dbraw/zinc/96/36/76/811963676.db2.gz MBRBTPVSYIRVMP-KRWDZBQOSA-N 1 1 288.439 3.102 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@H](CC(=O)OC)C1 ZINC001201840462 811969464 /nfs/dbraw/zinc/96/94/64/811969464.db2.gz WZFFGKJTNCIZDS-CQSZACIVSA-N 1 1 255.402 3.232 20 30 CGEDMO CCCCCCCCC[N@H+]1CCO[C@@H]2C[C@H](CO)C[C@@H]21 ZINC001201840048 811970299 /nfs/dbraw/zinc/97/02/99/811970299.db2.gz SGBUTFMWVJQDQH-IXDOHACOSA-N 1 1 283.456 3.209 20 30 CGEDMO CCCCCCCCCC[N@@H+](CC)CCC(N)=O ZINC001201874713 811974178 /nfs/dbraw/zinc/97/41/78/811974178.db2.gz DETHXSIVFDYQKA-UHFFFAOYSA-N 1 1 256.434 3.324 20 30 CGEDMO N#Cc1cccc(O[C@H]2CCC[N@@H+](CC3CCC3)C2)c1 ZINC001202763286 812169479 /nfs/dbraw/zinc/16/94/79/812169479.db2.gz ZIVJDPOGCNMJHJ-KRWDZBQOSA-N 1 1 270.376 3.202 20 30 CGEDMO CCOc1cccc(C[N@@H+](CCC#N)C2CCCC2)c1O ZINC001203610027 812404905 /nfs/dbraw/zinc/40/49/05/812404905.db2.gz SACZLNNIDPHMGV-UHFFFAOYSA-N 1 1 288.391 3.449 20 30 CGEDMO COc1ccc(C[N@@H+](CCC#N)C2CCCC2)c(O)c1 ZINC001203628630 812410716 /nfs/dbraw/zinc/41/07/16/812410716.db2.gz DAUKGANPXOIYBV-UHFFFAOYSA-N 1 1 274.364 3.059 20 30 CGEDMO COc1ccc(C[N@H+](CCC#N)C2CCCC2)cc1OC ZINC001203837755 812472288 /nfs/dbraw/zinc/47/22/88/812472288.db2.gz HAMASLOLYHEXRM-UHFFFAOYSA-N 1 1 288.391 3.362 20 30 CGEDMO COc1ccc(C[N@@H+](CCC#N)C2CCCC2)cc1OC ZINC001203837755 812472290 /nfs/dbraw/zinc/47/22/90/812472290.db2.gz HAMASLOLYHEXRM-UHFFFAOYSA-N 1 1 288.391 3.362 20 30 CGEDMO C=CC[NH+]1CCN(Cc2cccc(Cl)c2Cl)CC1 ZINC001204183213 812568926 /nfs/dbraw/zinc/56/89/26/812568926.db2.gz YKFHAUDORZQOPV-UHFFFAOYSA-N 1 1 285.218 3.297 20 30 CGEDMO C=CCOc1ccc(CN2CC[C@H]([N@H+](C)C(C)C)C2)cc1 ZINC001204302566 812605109 /nfs/dbraw/zinc/60/51/09/812605109.db2.gz OCAIGLSYOYARGJ-KRWDZBQOSA-N 1 1 288.435 3.166 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)CCc2cccnc2)cc1 ZINC001204300580 812605262 /nfs/dbraw/zinc/60/52/62/812605262.db2.gz WVTJOAZRSIEFOP-UHFFFAOYSA-N 1 1 282.387 3.321 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@]3(CCO3)C2)cc1 ZINC001204303131 812605425 /nfs/dbraw/zinc/60/54/25/812605425.db2.gz ASULBIPDQHLPIJ-KRWDZBQOSA-N 1 1 273.376 3.006 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H](C#N)CC2)cc1 ZINC001204303907 812606984 /nfs/dbraw/zinc/60/69/84/812606984.db2.gz RWDDYDGAKTVIQF-HNNXBMFYSA-N 1 1 270.376 3.377 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1cn(C)c2ccccc12 ZINC001204320530 812611581 /nfs/dbraw/zinc/61/15/81/812611581.db2.gz LURGSJGNSYKKQO-UHFFFAOYSA-N 1 1 255.365 3.304 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1cn(C)c2ccccc12 ZINC001204320530 812611585 /nfs/dbraw/zinc/61/15/85/812611585.db2.gz LURGSJGNSYKKQO-UHFFFAOYSA-N 1 1 255.365 3.304 20 30 CGEDMO FC(F)(F)Oc1ccccc1C[NH+]1CCC(S)CC1 ZINC001204428694 812636190 /nfs/dbraw/zinc/63/61/90/812636190.db2.gz QXNWHTSECHCFOW-UHFFFAOYSA-N 1 1 291.338 3.479 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2cccc(OC(F)F)c2)CC1 ZINC001204843368 812752851 /nfs/dbraw/zinc/75/28/51/812752851.db2.gz VYZMBBHPJFNFEZ-LBPRGKRZSA-N 1 1 280.318 3.414 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)nc2)CC1 ZINC001205441089 812984148 /nfs/dbraw/zinc/98/41/48/812984148.db2.gz KDLUMFZRNZUEED-LLVKDONJSA-N 1 1 283.297 3.226 20 30 CGEDMO C=CCC[N@H+](Cc1cnn(CC)c1)Cc1ccccc1 ZINC001205538185 812996255 /nfs/dbraw/zinc/99/62/55/812996255.db2.gz DSEZUEWPKXJPCF-UHFFFAOYSA-N 1 1 269.392 3.481 20 30 CGEDMO C[C@]1(C[NH3+])CCCN(Cc2c(Cl)cccc2C#N)CC1 ZINC001206310708 813284224 /nfs/dbraw/zinc/28/42/24/813284224.db2.gz AIZQHEKDUFSATA-INIZCTEOSA-N 1 1 291.826 3.163 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cccc(C#N)n1 ZINC001206376562 813307730 /nfs/dbraw/zinc/30/77/30/813307730.db2.gz JFWCEDGOPQMUIA-CYBMUJFWSA-N 1 1 276.343 3.018 20 30 CGEDMO N#Cc1cc(Nc2ccc([NH+]3CCCCCC3)cc2)ccn1 ZINC001206619496 813377402 /nfs/dbraw/zinc/37/74/02/813377402.db2.gz QQWOKERLDVBKRU-UHFFFAOYSA-N 1 1 292.386 3.499 20 30 CGEDMO COc1ccc(C#N)c(Nc2c[nH+]c(N(C)C)cc2C)c1 ZINC001206742829 813416121 /nfs/dbraw/zinc/41/61/21/813416121.db2.gz IVHJAUBFDBSDRA-UHFFFAOYSA-N 1 1 282.347 3.080 20 30 CGEDMO C#CCCCCC(=O)N[C@@H]1C[N@@H+](CCCC(C)C)C[C@H]1C ZINC001206885052 813457589 /nfs/dbraw/zinc/45/75/89/813457589.db2.gz RLIQNBSDGDGADZ-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@H+](Cc1ccnc(CC)n1)C1CCCCC1 ZINC001207089018 813481399 /nfs/dbraw/zinc/48/13/99/813481399.db2.gz BHNMRVIZDWLNFL-UHFFFAOYSA-N 1 1 259.397 3.360 20 30 CGEDMO COc1ccccc1[C@H](C)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC001207108511 813486880 /nfs/dbraw/zinc/48/68/80/813486880.db2.gz DSGUWEGXVGTBIU-ZDUSSCGKSA-N 1 1 283.375 3.098 20 30 CGEDMO Cn1cc(C[N@H+]2CCCC3(CC(F)C3)CC2)cc1C#N ZINC001207108918 813487865 /nfs/dbraw/zinc/48/78/65/813487865.db2.gz LAKPCCAGDTUXBS-UHFFFAOYSA-N 1 1 275.371 3.001 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2c(F)cccc2OC(F)F)C1 ZINC001207118216 813488761 /nfs/dbraw/zinc/48/87/61/813488761.db2.gz KJWVDZBZROBYIY-LLVKDONJSA-N 1 1 283.293 3.272 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2c(F)cccc2OC(F)F)C1 ZINC001207118216 813488766 /nfs/dbraw/zinc/48/87/66/813488766.db2.gz KJWVDZBZROBYIY-LLVKDONJSA-N 1 1 283.293 3.272 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCC2CC2)C[C@H]1C ZINC001207145147 813496778 /nfs/dbraw/zinc/49/67/78/813496778.db2.gz DSVCZXDYVPVGBK-BXUZGUMPSA-N 1 1 298.858 3.002 20 30 CGEDMO C=CCN(CC[N@H+]1C[C@@H]2CCC[C@@H]2C1)C(=O)OC(C)(C)C ZINC001207198200 813515244 /nfs/dbraw/zinc/51/52/44/813515244.db2.gz ANSSJJJISZPVCP-GASCZTMLSA-N 1 1 294.439 3.141 20 30 CGEDMO C=C(C)C[C@H]([NH2+][C@H]1CCC[C@@H](C)CC1)C(=O)OCC ZINC001207341702 813543432 /nfs/dbraw/zinc/54/34/32/813543432.db2.gz ROULKJRVTSVBGP-ILXRZTDVSA-N 1 1 267.413 3.443 20 30 CGEDMO CCC[N@H+](CCC#N)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001207374859 813553409 /nfs/dbraw/zinc/55/34/09/813553409.db2.gz SOXPEJRIEZUUJN-AWEZNQCLSA-N 1 1 295.427 3.012 20 30 CGEDMO CCC[N@@H+](CCC#N)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001207374859 813553416 /nfs/dbraw/zinc/55/34/16/813553416.db2.gz SOXPEJRIEZUUJN-AWEZNQCLSA-N 1 1 295.427 3.012 20 30 CGEDMO C[C@H](CCCC(C)(C)O)CC[N@H+]1CC[C@@](C)(C#N)C1 ZINC001207683206 813635534 /nfs/dbraw/zinc/63/55/34/813635534.db2.gz NLFWXMFKZMYRGR-ZBFHGGJFSA-N 1 1 266.429 3.189 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[NH+]2CCN(C3CCC3)CC2)CC1 ZINC001208171485 813724964 /nfs/dbraw/zinc/72/49/64/813724964.db2.gz UTRUPSLKJWFECN-QGZVFWFLSA-N 1 1 274.452 3.459 20 30 CGEDMO C=C(C)[C@@H]1CC=C(CN2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC001208177722 813728355 /nfs/dbraw/zinc/72/83/55/813728355.db2.gz XPGNLHCJLWGUML-QZTJIDSGSA-N 1 1 274.452 3.459 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C=C)C1 ZINC001208312554 813753892 /nfs/dbraw/zinc/75/38/92/813753892.db2.gz LVYMMKVPXKCLFM-HZPDHXFCSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CC2CC(C)(C)C2)C[C@H]1C ZINC001208314925 813754262 /nfs/dbraw/zinc/75/42/62/813754262.db2.gz ALMXNWCLSBXFDY-UKRRQHHQSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC/C=C\CC)C[C@H]1C ZINC001208388655 813757973 /nfs/dbraw/zinc/75/79/73/813757973.db2.gz NWUGSBJUBDXVJM-HLHHEVMTSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CC2CCCC2)C[C@H]1C ZINC001208498574 813763570 /nfs/dbraw/zinc/76/35/70/813763570.db2.gz XMBUYGWZSHZHEL-QGPMSJSTSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC001208544815 813766312 /nfs/dbraw/zinc/76/63/12/813766312.db2.gz VXOYFKUOKFXRRR-OWCLPIDISA-N 1 1 290.451 3.134 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](CCCc2ccc(F)cc2)C1 ZINC001208769808 813837086 /nfs/dbraw/zinc/83/70/86/813837086.db2.gz FRYOBZJOBMZMCN-OAHLLOKOSA-N 1 1 260.356 3.384 20 30 CGEDMO COC[C@@]12CCC[C@@H]1C[N@@H+](CCCc1cccc(C#N)c1)C2 ZINC001208849855 813863860 /nfs/dbraw/zinc/86/38/60/813863860.db2.gz NUPQMDFEUXYQMV-MOPGFXCFSA-N 1 1 298.430 3.239 20 30 CGEDMO N#Cc1ccc(CCC[N@H+]2CCC[C@H]2c2cnccn2)cc1 ZINC001208858526 813868748 /nfs/dbraw/zinc/86/87/48/813868748.db2.gz MAANGNXDPSDJHC-SFHVURJKSA-N 1 1 292.386 3.118 20 30 CGEDMO C#C[C@H]1CCC[N@H+](CCCc2ccc(C(=O)OCC)cc2)C1 ZINC001208869390 813875008 /nfs/dbraw/zinc/87/50/08/813875008.db2.gz MQGSKLOIODFUDI-INIZCTEOSA-N 1 1 299.414 3.141 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCC[C@@H]2c2nccs2)cc1 ZINC001208928222 813901158 /nfs/dbraw/zinc/90/11/58/813901158.db2.gz ZNXSZNTVMAQDCO-OAHLLOKOSA-N 1 1 283.400 3.394 20 30 CGEDMO C#CC1CC[NH+](C[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC001208946750 813908604 /nfs/dbraw/zinc/90/86/04/813908604.db2.gz WQBYJXCHCASLJP-FQEVSTJZSA-N 1 1 296.458 3.244 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](CCc2ccc(C(F)(F)F)cc2)C1 ZINC001209126408 813941590 /nfs/dbraw/zinc/94/15/90/813941590.db2.gz WYMNXYHRZVIEFA-ZDUSSCGKSA-N 1 1 282.309 3.483 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](CCc2ccc(C(F)(F)F)cc2)C1 ZINC001209126408 813941594 /nfs/dbraw/zinc/94/15/94/813941594.db2.gz WYMNXYHRZVIEFA-ZDUSSCGKSA-N 1 1 282.309 3.483 20 30 CGEDMO N#CCC[N@@H+](CCc1ccc2c(c1)CCO2)C1CCCC1 ZINC001209144377 813946984 /nfs/dbraw/zinc/94/69/84/813946984.db2.gz DMUMFGHIRBEBOF-UHFFFAOYSA-N 1 1 284.403 3.322 20 30 CGEDMO C=CCCC[N@@H+](Cc1ccccc1)CC(OC)OC ZINC001209156577 813949595 /nfs/dbraw/zinc/94/95/95/813949595.db2.gz DMJNFWXICWZDHR-UHFFFAOYSA-N 1 1 263.381 3.074 20 30 CGEDMO C=CCCC[N@H+](CC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001209162788 813953659 /nfs/dbraw/zinc/95/36/59/813953659.db2.gz NHDOLEPIMUHWAB-CQSZACIVSA-N 1 1 282.428 3.284 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001209163978 813954211 /nfs/dbraw/zinc/95/42/11/813954211.db2.gz PXOOWSUZWFNMDA-QZTJIDSGSA-N 1 1 270.420 3.159 20 30 CGEDMO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCCCC(C)C)C1 ZINC001209187408 813959027 /nfs/dbraw/zinc/95/90/27/813959027.db2.gz CFEIAUURBBVSFF-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCCC[N@H+](CCN(C)C)Cc1ccccc1 ZINC001209201710 813964738 /nfs/dbraw/zinc/96/47/38/813964738.db2.gz QWSHFWUSNYLCPJ-UHFFFAOYSA-N 1 1 260.425 3.407 20 30 CGEDMO C=CCCCCN(CC[NH+](C)C)Cc1ccccc1 ZINC001209201710 813964743 /nfs/dbraw/zinc/96/47/43/813964743.db2.gz QWSHFWUSNYLCPJ-UHFFFAOYSA-N 1 1 260.425 3.407 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@]2(CCN2C(=O)OC(C)(C)C)C1 ZINC001209201435 813965534 /nfs/dbraw/zinc/96/55/34/813965534.db2.gz LNSWVTLXOOCYAZ-KRWDZBQOSA-N 1 1 294.439 3.428 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@@H](Oc2ccncc2C)C1 ZINC001209208369 813968934 /nfs/dbraw/zinc/96/89/34/813968934.db2.gz SMCPXENKOYWRET-OAHLLOKOSA-N 1 1 260.381 3.199 20 30 CGEDMO CC[N@H+](CCC#N)CCCCOCc1ccccc1 ZINC001209259438 813985392 /nfs/dbraw/zinc/98/53/92/813985392.db2.gz WSHWKPXUQIZKON-UHFFFAOYSA-N 1 1 260.381 3.219 20 30 CGEDMO C#CCCC[N@H+]1CCC[C@@]2(C[C@H](c3ccccc3)CO2)C1 ZINC001209264137 813987727 /nfs/dbraw/zinc/98/77/27/813987727.db2.gz WKGMREHLISRAIS-RBUKOAKNSA-N 1 1 283.415 3.439 20 30 CGEDMO C#CCCC[N@@H+](Cc1ccc(F)cc1)C1CCN(C)CC1 ZINC001209268331 813989343 /nfs/dbraw/zinc/98/93/43/813989343.db2.gz YUICRYPPZVFKDS-UHFFFAOYSA-N 1 1 288.410 3.135 20 30 CGEDMO C[C@@H]1CC(C[N@@H+](CCC#N)C2CCCC2)C[C@@H](C)O1 ZINC001209386538 814009480 /nfs/dbraw/zinc/00/94/80/814009480.db2.gz DPFBOIAIPGCQMJ-ZIAGYGMSSA-N 1 1 264.413 3.348 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](OCC)[C@H]2OCCC[C@H]21 ZINC001209423521 814026454 /nfs/dbraw/zinc/02/64/54/814026454.db2.gz WHJGXXLXEVEROW-OAGGEKHMSA-N 1 1 267.413 3.001 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@]2(C1)c1ccccc1N(C)C2=O ZINC001209427170 814028162 /nfs/dbraw/zinc/02/81/62/814028162.db2.gz IBLWKRWBOIXKSB-LJQANCHMSA-N 1 1 298.430 3.353 20 30 CGEDMO C=CCCCCCN1CCC([NH+]2CCC(OC)CC2)CC1 ZINC001209433257 814035536 /nfs/dbraw/zinc/03/55/36/814035536.db2.gz SLZXRPOZNKOUFR-UHFFFAOYSA-N 1 1 294.483 3.308 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CC[C@@H](N(C)C(C)=O)C1 ZINC001209442884 814043742 /nfs/dbraw/zinc/04/37/42/814043742.db2.gz ZCNHGDRRGLYTNG-MRXNPFEDSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC001209443583 814044217 /nfs/dbraw/zinc/04/42/17/814044217.db2.gz WCCMDPDMGABLOF-HUUCEWRRSA-N 1 1 257.393 3.308 20 30 CGEDMO C=CCCCCCCCC[N@H+]1CCN(C(C)=O)[C@@H](C)C1 ZINC001209445011 814044916 /nfs/dbraw/zinc/04/49/16/814044916.db2.gz CWNIOKOBTZIUFI-INIZCTEOSA-N 1 1 280.456 3.456 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CCCN(C)C(=O)C1 ZINC001209444626 814046037 /nfs/dbraw/zinc/04/60/37/814046037.db2.gz WNLZCQVQXGLJEQ-UHFFFAOYSA-N 1 1 266.429 3.067 20 30 CGEDMO N#Cc1cccc(O[C@H]2CCC[N@@H+](Cc3cncs3)C2)c1 ZINC001209549907 814081151 /nfs/dbraw/zinc/08/11/51/814081151.db2.gz QSFNXWKPAWBTLA-HNNXBMFYSA-N 1 1 299.399 3.058 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@H](Oc3ccc(C#N)cc3)C2)[nH]1 ZINC001209575612 814088846 /nfs/dbraw/zinc/08/88/46/814088846.db2.gz JMUURICBLJNKSB-SFHVURJKSA-N 1 1 295.386 3.238 20 30 CGEDMO Cc1[nH]c2ncccc2c1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC001209589023 814092433 /nfs/dbraw/zinc/09/24/33/814092433.db2.gz WHTLTKOZFYRRCF-UHFFFAOYSA-N 1 1 290.370 3.375 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2c[nH]c3ncc(Cl)cc23)C1 ZINC001209596963 814095934 /nfs/dbraw/zinc/09/59/34/814095934.db2.gz IXSLFLRIPOTKRT-LLVKDONJSA-N 1 1 288.782 3.342 20 30 CGEDMO CC(C)(O)C#Cc1cccc(Nc2ccc3[nH]c[nH+]c3c2)c1 ZINC001209851152 814170157 /nfs/dbraw/zinc/17/01/57/814170157.db2.gz JHHKNURHCHKDIZ-UHFFFAOYSA-N 1 1 291.354 3.429 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CCCCC)C(C)C)C1 ZINC001210112066 814295452 /nfs/dbraw/zinc/29/54/52/814295452.db2.gz RQDATDJNUKMLQK-BRWVUGGUSA-N 1 1 294.483 3.461 20 30 CGEDMO Cc1[nH+]ccn1-c1ccc(Nc2cccnc2C#N)cc1 ZINC001210144510 814308550 /nfs/dbraw/zinc/30/85/50/814308550.db2.gz XWVHLURGGXPPQW-UHFFFAOYSA-N 1 1 275.315 3.191 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001210179073 814323018 /nfs/dbraw/zinc/32/30/18/814323018.db2.gz HNSVTXZKNCAUGW-HLLBOEOZSA-N 1 1 292.467 3.215 20 30 CGEDMO C[C@@H]1CC(=O)C=C(c2ccc3c(c2)C[N@H+](C)CC3)C1 ZINC001242742934 823118896 /nfs/dbraw/zinc/11/88/96/823118896.db2.gz DRGYLOOACWMECP-LBPRGKRZSA-N 1 1 255.361 3.057 20 30 CGEDMO C=CCCCCC[N@H+]1CCN[C@@H](Cc2ccccc2)C1 ZINC001210312547 814398156 /nfs/dbraw/zinc/39/81/56/814398156.db2.gz ZRINEXPILZAWTJ-SFHVURJKSA-N 1 1 272.436 3.249 20 30 CGEDMO C=CCCCCCN1CC[NH2+][C@@H](Cc2ccccc2)C1 ZINC001210312547 814398161 /nfs/dbraw/zinc/39/81/61/814398161.db2.gz ZRINEXPILZAWTJ-SFHVURJKSA-N 1 1 272.436 3.249 20 30 CGEDMO CCc1cccc(C)c1[NH+]=C(NO)c1ccccc1N ZINC001210874733 814660326 /nfs/dbraw/zinc/66/03/26/814660326.db2.gz BDLSPXKEJKPQED-UHFFFAOYSA-N 1 1 269.348 3.197 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2C[N@@H+](CCCC)C[C@H]2C)CCCC1 ZINC001211495471 814896623 /nfs/dbraw/zinc/89/66/23/814896623.db2.gz NNBWJGRZULOJIL-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nnc(-c2ccc3c(c2)CCC3)o1 ZINC001217757465 815954721 /nfs/dbraw/zinc/95/47/21/815954721.db2.gz MNOPWKPXUNOYNL-HNNXBMFYSA-N 1 1 281.359 3.029 20 30 CGEDMO C=CCCCCCCCCCO[C@H]1C[C@H]2CNCC[N@@H+]2C1 ZINC001217802220 815966981 /nfs/dbraw/zinc/96/69/81/815966981.db2.gz VXIWMVONFSWTME-ROUUACIJSA-N 1 1 294.483 3.356 20 30 CGEDMO C=CCCCCCCCCCO[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001217802220 815966983 /nfs/dbraw/zinc/96/69/83/815966983.db2.gz VXIWMVONFSWTME-ROUUACIJSA-N 1 1 294.483 3.356 20 30 CGEDMO CCCCCCCCCO[C@@H]1CC[NH2+]CC(=O)C1 ZINC001217828775 815971830 /nfs/dbraw/zinc/97/18/30/815971830.db2.gz RZWMDTFHAZCDLA-OAHLLOKOSA-N 1 1 255.402 3.075 20 30 CGEDMO CCCCCCCCC[C@@H](C)OCC[C@H]([NH3+])C(=O)OC ZINC001217896280 815994813 /nfs/dbraw/zinc/99/48/13/815994813.db2.gz QAHNBZLKCQYNRA-CABCVRRESA-N 1 1 287.444 3.423 20 30 CGEDMO C#C[C@@H](Oc1ccc(C(=O)C[NH3+])cc1)[C@@H](CC)CCCC ZINC001218292200 816154912 /nfs/dbraw/zinc/15/49/12/816154912.db2.gz PAGSCFVWGXNNDH-KBXCAEBGSA-N 1 1 287.403 3.425 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)C3CCCCC3)[C@@H]2C1 ZINC001221234232 816306463 /nfs/dbraw/zinc/30/64/63/816306463.db2.gz MGKRNZRWQJBGEG-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)F)[C@@H]2C1 ZINC001221223941 816306941 /nfs/dbraw/zinc/30/69/41/816306941.db2.gz LTXHRCGOSQFIBD-HUUCEWRRSA-N 1 1 296.430 3.014 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)C)[C@@H]2C1 ZINC001221276513 816307903 /nfs/dbraw/zinc/30/79/03/816307903.db2.gz AQNRIQLXAOGHCG-HZPDHXFCSA-N 1 1 280.456 3.146 20 30 CGEDMO C=CC(C)(C)CC(=O)N1C[C@H]2CC[N@H+](C[C@H](C)CC)C[C@H]21 ZINC001221577931 816320931 /nfs/dbraw/zinc/32/09/31/816320931.db2.gz MFLIZTBAEHBCQB-BZUAXINKSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCCC(=O)N1C[C@H]2CC[N@H+](CCCCCC)C[C@H]21 ZINC001221782525 816328142 /nfs/dbraw/zinc/32/81/42/816328142.db2.gz FUVAUHTVCFWCDR-IAGOWNOFSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)CCCCC)[C@@H]2C1 ZINC001222038234 816340491 /nfs/dbraw/zinc/34/04/91/816340491.db2.gz SGPFFKGXCDJXPX-GVDBMIGSSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@H](C)CCC)C[C@@H]21 ZINC001222411922 816437496 /nfs/dbraw/zinc/43/74/96/816437496.db2.gz LGKDCYMRQASFHQ-ZACQAIPSSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)CCC)C[C@@H]21 ZINC001222476233 816453566 /nfs/dbraw/zinc/45/35/66/816453566.db2.gz SQSHXMMSIPJUPO-ZACQAIPSSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)/C=C/C(C)(C)C)C[C@@H]21 ZINC001222476806 816453876 /nfs/dbraw/zinc/45/38/76/816453876.db2.gz ZGMJBTQERDSSBU-GRLYAWNKSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]2CC[N@H+](C[C@@H](C)CC)[C@H]2C1 ZINC001222781703 816516956 /nfs/dbraw/zinc/51/69/56/816516956.db2.gz QREHBASHPOQEAF-BBWFWOEESA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]2CC[N@@H+](CC=C(C)C)[C@H]2C1 ZINC001222789013 816517980 /nfs/dbraw/zinc/51/79/80/816517980.db2.gz DZZDELLNILQJJW-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]2CC[N@H+](CC[C@H](C)F)[C@H]2C1 ZINC001222789847 816518180 /nfs/dbraw/zinc/51/81/80/816518180.db2.gz OZCIKLNITNZVJP-XHSDSOJGSA-N 1 1 296.430 3.014 20 30 CGEDMO CC[N@H+]1CC[C@@H](OCc2ccc(C(C)(C)C#N)cc2)C1 ZINC001223157060 816580148 /nfs/dbraw/zinc/58/01/48/816580148.db2.gz LEJNZUONQCAFBS-MRXNPFEDSA-N 1 1 272.392 3.099 20 30 CGEDMO N#Cc1ccc(CO[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC001223285934 816598713 /nfs/dbraw/zinc/59/87/13/816598713.db2.gz HYLOKCUJGVJYQI-OAHLLOKOSA-N 1 1 298.411 3.411 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[C@H]2CC[N@@H+](CC(=C)C)[C@H]2C1 ZINC001223338281 816608208 /nfs/dbraw/zinc/60/82/08/816608208.db2.gz KZLMPBXUTUHSHO-ZACQAIPSSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]2CC[N@H+](CCCC)[C@H]2C1 ZINC001223345050 816610574 /nfs/dbraw/zinc/61/05/74/816610574.db2.gz VJGHDUTWGVZAOG-ZACQAIPSSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCOc1ccccc1CO[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001223785949 816682962 /nfs/dbraw/zinc/68/29/62/816682962.db2.gz RBCSJDBZIVJXEV-FVQHAEBGSA-N 1 1 287.403 3.393 20 30 CGEDMO C=C[C@H](C)[C@H](C)C(=O)NCC1CC[NH+](CC(=C)Cl)CC1 ZINC001224165972 816745439 /nfs/dbraw/zinc/74/54/39/816745439.db2.gz WIYQFCSAYBRSCY-JSGCOSHPSA-N 1 1 298.858 3.025 20 30 CGEDMO C=CCCO[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC001224334896 816780765 /nfs/dbraw/zinc/78/07/65/816780765.db2.gz HMGQFGMFUKKPLT-WBVHZDCISA-N 1 1 259.393 3.490 20 30 CGEDMO C=CCCO[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC001224339337 816782487 /nfs/dbraw/zinc/78/24/87/816782487.db2.gz KHXIJBNTRSRZBJ-FGTMMUONSA-N 1 1 271.404 3.490 20 30 CGEDMO CCCCCCCCCCOC[C@H]1C[N@H+](C)CCO1 ZINC001224581079 816831824 /nfs/dbraw/zinc/83/18/24/816831824.db2.gz NBDUOVRHAPWBOA-MRXNPFEDSA-N 1 1 271.445 3.474 20 30 CGEDMO CCCCCCCCCCOC[C@H]1C[N@@H+](C)CCO1 ZINC001224581079 816831833 /nfs/dbraw/zinc/83/18/33/816831833.db2.gz NBDUOVRHAPWBOA-MRXNPFEDSA-N 1 1 271.445 3.474 20 30 CGEDMO N#Cc1ccc(CCOC2C[NH+](Cc3ccccc3)C2)cc1 ZINC001224654012 816842534 /nfs/dbraw/zinc/84/25/34/816842534.db2.gz GLTCEPHCXQAGII-UHFFFAOYSA-N 1 1 292.382 3.002 20 30 CGEDMO Cc1ccc(N2CCC(Oc3ccccc3C#N)CC2)[nH+]c1 ZINC001225196824 816956006 /nfs/dbraw/zinc/95/60/06/816956006.db2.gz AKLOIXFARCDPLI-UHFFFAOYSA-N 1 1 293.370 3.310 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](Oc2cc(Cl)cc(C#N)c2)C1 ZINC001225697197 817146219 /nfs/dbraw/zinc/14/62/19/817146219.db2.gz DQKCGJASBZJKMU-CYBMUJFWSA-N 1 1 264.756 3.073 20 30 CGEDMO CC[N@H+]1CCC[C@H](Oc2cc(Cl)cc(C#N)c2)C1 ZINC001225699472 817147018 /nfs/dbraw/zinc/14/70/18/817147018.db2.gz HRUQRXXEVYMDDQ-ZDUSSCGKSA-N 1 1 264.756 3.075 20 30 CGEDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cccc(F)c1C#N)C2 ZINC001225974039 817234731 /nfs/dbraw/zinc/23/47/31/817234731.db2.gz SYAJTIVHTQBYIU-WDNDVIMCSA-N 1 1 288.366 3.480 20 30 CGEDMO N#C[C@H](Oc1cc(N)[nH+]c2ccccc21)c1ccccc1 ZINC001226418067 817351692 /nfs/dbraw/zinc/35/16/92/817351692.db2.gz HXWYIBWPXDZICN-INIZCTEOSA-N 1 1 275.311 3.461 20 30 CGEDMO CC[N@H+]1CCC[C@H](Oc2ccc3nc(C#N)sc3c2)C1 ZINC001226671503 817429455 /nfs/dbraw/zinc/42/94/55/817429455.db2.gz JMLWEWUCRVYLHX-LBPRGKRZSA-N 1 1 287.388 3.031 20 30 CGEDMO CC(=O)/C=C\c1ccc(O[C@@H]2CCC[N@H+](C)CC2)cc1 ZINC001228497390 817923127 /nfs/dbraw/zinc/92/31/27/817923127.db2.gz UEDCHDUIZLNYEG-OGZRUICASA-N 1 1 273.376 3.152 20 30 CGEDMO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CCC(C)CC1 ZINC001231170827 818051204 /nfs/dbraw/zinc/05/12/04/818051204.db2.gz UXYBVZZMDMJZRS-JCYILVPMSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H](C)C(C)C ZINC001231179559 818053029 /nfs/dbraw/zinc/05/30/29/818053029.db2.gz UFGQAFNCEZSJNK-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)/C=C\C(C)(C)C ZINC001231280113 818069490 /nfs/dbraw/zinc/06/94/90/818069490.db2.gz AJUZJGOPWMUSAH-XMELGKRDSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CC=CC1 ZINC001231341005 818079749 /nfs/dbraw/zinc/07/97/49/818079749.db2.gz GMVULAJHHNOIFT-KRWDZBQOSA-N 1 1 290.451 3.232 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(Cl)c(Br)c1 ZINC001231569145 818123893 /nfs/dbraw/zinc/12/38/93/818123893.db2.gz YZNIZPHDPKOAHW-UHFFFAOYSA-N 1 1 272.573 3.168 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H](C)[C@@H](C)C1 ZINC001231616623 818138518 /nfs/dbraw/zinc/13/85/18/818138518.db2.gz ISBGZDKQLGNOHR-KBPBESRZSA-N 1 1 272.392 3.435 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCC[C@](C)(O)[C@H](C)C2)c1 ZINC001231621153 818138539 /nfs/dbraw/zinc/13/85/39/818138539.db2.gz RPFMQKFVJYGBMJ-QAPCUYQASA-N 1 1 289.419 3.234 20 30 CGEDMO N#CCC[N@H+](Cc1cc2cc[nH]c2cn1)C1CCCC1 ZINC001231667691 818155654 /nfs/dbraw/zinc/15/56/54/818155654.db2.gz CQVBSZSSTUZSPT-UHFFFAOYSA-N 1 1 268.364 3.221 20 30 CGEDMO N#CCC[N@@H+](Cc1cc2cc[nH]c2cn1)C1CCCC1 ZINC001231667691 818155657 /nfs/dbraw/zinc/15/56/57/818155657.db2.gz CQVBSZSSTUZSPT-UHFFFAOYSA-N 1 1 268.364 3.221 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(O)c2)CC1 ZINC001231733859 818161857 /nfs/dbraw/zinc/16/18/57/818161857.db2.gz JQMIRKSRHIJRQM-LLVKDONJSA-N 1 1 264.756 3.171 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(O)c2)CC1 ZINC001231733859 818161864 /nfs/dbraw/zinc/16/18/64/818161864.db2.gz JQMIRKSRHIJRQM-LLVKDONJSA-N 1 1 264.756 3.171 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cc(F)cnc1OC ZINC001231743073 818165790 /nfs/dbraw/zinc/16/57/90/818165790.db2.gz ZGFLXQAYFRDJRW-UHFFFAOYSA-N 1 1 252.333 3.017 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC001231870698 818193800 /nfs/dbraw/zinc/19/38/00/818193800.db2.gz OPTIDEOCTFEHNX-GFCCVEGCSA-N 1 1 263.768 3.199 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1Cl ZINC001232111438 818258542 /nfs/dbraw/zinc/25/85/42/818258542.db2.gz GXBRFQNYOPGWTA-GDBMZVCRSA-N 1 1 290.794 3.213 20 30 CGEDMO N#Cc1ccccc1O[C@H]1CCC[N@H+](Cc2ccns2)C1 ZINC001232192703 818272477 /nfs/dbraw/zinc/27/24/77/818272477.db2.gz WOSPJLVREGJCEV-AWEZNQCLSA-N 1 1 299.399 3.058 20 30 CGEDMO N#Cc1ccccc1O[C@H]1CCC[N@@H+](Cc2ccns2)C1 ZINC001232192703 818272484 /nfs/dbraw/zinc/27/24/84/818272484.db2.gz WOSPJLVREGJCEV-AWEZNQCLSA-N 1 1 299.399 3.058 20 30 CGEDMO C=CC[N@@H+](Cc1nnc(C)s1)C1CCCCC1 ZINC001232246728 818291833 /nfs/dbraw/zinc/29/18/33/818291833.db2.gz QVAKSBOIAXPZJK-UHFFFAOYSA-N 1 1 251.399 3.167 20 30 CGEDMO C=CC[N@H+](Cc1nnc(C)s1)C1CCCCC1 ZINC001232246728 818291837 /nfs/dbraw/zinc/29/18/37/818291837.db2.gz QVAKSBOIAXPZJK-UHFFFAOYSA-N 1 1 251.399 3.167 20 30 CGEDMO COc1cc(O)c(C[N@H+]2CCC[C@H](C#N)CC2)cc1Cl ZINC001232269725 818300891 /nfs/dbraw/zinc/30/08/91/818300891.db2.gz IYEYESWQJLNUKC-NSHDSACASA-N 1 1 294.782 3.180 20 30 CGEDMO C#CC[N@H+](Cc1ccc(N)nc1C)[C@@H]1CCc2ccccc21 ZINC001232341470 818320752 /nfs/dbraw/zinc/32/07/52/818320752.db2.gz XWYLSEUCCHTVCQ-GOSISDBHSA-N 1 1 291.398 3.095 20 30 CGEDMO Cc1nc(C[NH+]2CCC(Cc3ccc(C#N)cc3)CC2)c[nH]1 ZINC001232463320 818357040 /nfs/dbraw/zinc/35/70/40/818357040.db2.gz GZTALMWKHVPFBQ-UHFFFAOYSA-N 1 1 294.402 3.045 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[NH+]1CCC2(CCCO2)CC1 ZINC001232609151 818394778 /nfs/dbraw/zinc/39/47/78/818394778.db2.gz NBHCSFNJNYKKJW-UHFFFAOYSA-N 1 1 290.794 3.357 20 30 CGEDMO COc1cccc(C)c1C[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001232620512 818401882 /nfs/dbraw/zinc/40/18/82/818401882.db2.gz PIWWVHKYCRVXBV-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2cccc3ncsc32)CC1 ZINC001232735929 818429563 /nfs/dbraw/zinc/42/95/63/818429563.db2.gz UQJYRAYEVFBQGX-GFCCVEGCSA-N 1 1 271.389 3.422 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](C(F)F)C2)s1 ZINC001232844105 818455209 /nfs/dbraw/zinc/45/52/09/818455209.db2.gz PJBWXSPWBLCBLH-SECBINFHSA-N 1 1 256.321 3.097 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](Oc3cccnc3)C2)s1 ZINC001232844064 818454794 /nfs/dbraw/zinc/45/47/94/818454794.db2.gz MPBATADMGYYUIL-CQSZACIVSA-N 1 1 299.399 3.058 20 30 CGEDMO COC(C)(C)[C@@H]1CCC[N@H+]1Cc1ccc(C#N)s1 ZINC001232844053 818455089 /nfs/dbraw/zinc/45/50/89/818455089.db2.gz MKSVGELWYCKDTQ-ZDUSSCGKSA-N 1 1 264.394 3.009 20 30 CGEDMO COC[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(C)cc1C#N)C2 ZINC001232964929 818484303 /nfs/dbraw/zinc/48/43/03/818484303.db2.gz FQHPRXRYVHJKBX-MSOLQXFVSA-N 1 1 284.403 3.115 20 30 CGEDMO C=CC[N@H+](Cc1cc(O)c(F)c(F)c1)C(C)(C)C ZINC001232974514 818489869 /nfs/dbraw/zinc/48/98/69/818489869.db2.gz WETFPNUVCMBJAR-UHFFFAOYSA-N 1 1 255.308 3.457 20 30 CGEDMO C=CC[N@@H+](Cc1cc(O)c(F)c(F)c1)C(C)(C)C ZINC001232974514 818489873 /nfs/dbraw/zinc/48/98/73/818489873.db2.gz WETFPNUVCMBJAR-UHFFFAOYSA-N 1 1 255.308 3.457 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+](C)CCc1noc(C(C)C)n1 ZINC001233080325 818518799 /nfs/dbraw/zinc/51/87/99/818518799.db2.gz IPLZIDRJMCPCRA-UHFFFAOYSA-N 1 1 298.390 3.048 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001233079883 818519629 /nfs/dbraw/zinc/51/96/29/818519629.db2.gz PWSHRQRJRFNEGD-WBVHZDCISA-N 1 1 254.377 3.489 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+](C1CCC1)C1CCOCC1 ZINC001233084371 818521053 /nfs/dbraw/zinc/52/10/53/818521053.db2.gz SNLUFZCAGWPRAV-UHFFFAOYSA-N 1 1 284.403 3.400 20 30 CGEDMO CN(C)c1ccc(C[N@H+]2CCCC2(C)C)c(F)c1C#N ZINC001233097512 818521952 /nfs/dbraw/zinc/52/19/52/818521952.db2.gz SSHNQQSSCHTMEH-UHFFFAOYSA-N 1 1 275.371 3.138 20 30 CGEDMO CN(C)c1ccc(C[N@H+]2CCCCC23CC3)c(F)c1C#N ZINC001233101584 818522001 /nfs/dbraw/zinc/52/20/01/818522001.db2.gz AEQHPEPQGKHQPG-UHFFFAOYSA-N 1 1 287.382 3.282 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@H+](Cc1cccc3c1CCO3)CC2 ZINC001233274513 818562032 /nfs/dbraw/zinc/56/20/32/818562032.db2.gz SZTZKQKXJVESBV-UHFFFAOYSA-N 1 1 290.366 3.051 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccc(N)cc2Cl)C1 ZINC001233376225 818601002 /nfs/dbraw/zinc/60/10/02/818601002.db2.gz XBPFCAKSSXHQHM-NSHDSACASA-N 1 1 263.772 3.048 20 30 CGEDMO N#Cc1ccc(C[N@@H+](Cc2ccco2)C2CC2)c([O-])c1 ZINC001233387726 818607415 /nfs/dbraw/zinc/60/74/15/818607415.db2.gz VRYBAAVEAZYKSR-UHFFFAOYSA-N 1 1 268.316 3.021 20 30 CGEDMO N#Cc1ccc(C[N@@H+](Cc2ccco2)C2CC2)c(O)c1 ZINC001233387726 818607421 /nfs/dbraw/zinc/60/74/21/818607421.db2.gz VRYBAAVEAZYKSR-UHFFFAOYSA-N 1 1 268.316 3.021 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233455160 818623783 /nfs/dbraw/zinc/62/37/83/818623783.db2.gz ZEGWAQUCABVHFC-LLVKDONJSA-N 1 1 283.293 3.256 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233455015 818624093 /nfs/dbraw/zinc/62/40/93/818624093.db2.gz SGTLUEKOMNITQO-JTQLQIEISA-N 1 1 284.281 3.147 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233455015 818624096 /nfs/dbraw/zinc/62/40/96/818624096.db2.gz SGTLUEKOMNITQO-JTQLQIEISA-N 1 1 284.281 3.147 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)/C=C\C1CC1 ZINC001233498096 818627547 /nfs/dbraw/zinc/62/75/47/818627547.db2.gz APOLEZPALTXLSD-QXPKXGMISA-N 1 1 292.467 3.456 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H](Oc2ccc(C(=O)CC#N)cc2)C1 ZINC001233526381 818633487 /nfs/dbraw/zinc/63/34/87/818633487.db2.gz QAYWOHBTVZBRBA-INIZCTEOSA-N 1 1 286.375 3.035 20 30 CGEDMO CC[N@H+]1CCC[C@@H](Oc2c(Cl)cccc2C#N)C1 ZINC001233552729 818639882 /nfs/dbraw/zinc/63/98/82/818639882.db2.gz XESPATYGIVCHPN-GFCCVEGCSA-N 1 1 264.756 3.075 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1=CCCC1 ZINC001233601156 818654909 /nfs/dbraw/zinc/65/49/09/818654909.db2.gz RDVSANRUBNAIOB-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)c1ccsc1 ZINC001233740390 818695004 /nfs/dbraw/zinc/69/50/04/818695004.db2.gz MAXNWCNUCUFTKT-CYBMUJFWSA-N 1 1 280.437 3.155 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C1CC(C)(C)C1 ZINC001234028954 818761021 /nfs/dbraw/zinc/76/10/21/818761021.db2.gz COWDNMISAYHYJV-GDBMZVCRSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)CCCC ZINC001234038382 818763024 /nfs/dbraw/zinc/76/30/24/818763024.db2.gz AVMNQQWWNQKZOV-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC1(C)CCCC1 ZINC001234079336 818774327 /nfs/dbraw/zinc/77/43/27/818774327.db2.gz WDRAJSWPDFFUFG-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC(CC=C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC[C@@H](C)F ZINC001234518949 818872037 /nfs/dbraw/zinc/87/20/37/818872037.db2.gz YMLINLYCPXNYKV-ZBFHGGJFSA-N 1 1 296.430 3.036 20 30 CGEDMO C=CC(C)(C)CC(=O)N(C)C[C@H]1CC[N@@H+]1CC/C=C/CC ZINC001234537300 818877045 /nfs/dbraw/zinc/87/70/45/818877045.db2.gz MLPABYSAQVLDIQ-ROJDOSBLSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)CC(C)(C)C=C ZINC001234554409 818880431 /nfs/dbraw/zinc/88/04/31/818880431.db2.gz ICCXYQRDLHIBNA-HNNXBMFYSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC/C=C\CC ZINC001234604697 818889956 /nfs/dbraw/zinc/88/99/56/818889956.db2.gz TXVYIFDMCOOOSK-WLMCBFPDSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@H+]1CCCCCF ZINC001234613857 818892202 /nfs/dbraw/zinc/89/22/02/818892202.db2.gz LYDRFEDNXCDLED-OAHLLOKOSA-N 1 1 284.419 3.015 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)CCCNC(=O)/C(C)=C/CC ZINC001234946413 818960873 /nfs/dbraw/zinc/96/08/73/818960873.db2.gz XCWCAGQYAUIQMK-IPJDOKCGSA-N 1 1 266.429 3.136 20 30 CGEDMO CCCCCCC/C=C/CN1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001235256125 819050758 /nfs/dbraw/zinc/05/07/58/819050758.db2.gz QDTIBBXHRZFWRU-YFYYJQLKSA-N 1 1 250.430 3.325 20 30 CGEDMO CCCCCCCCCCC[N@H+]1C[C@H]2CNC[C@@H](C1)O2 ZINC001235336929 819070852 /nfs/dbraw/zinc/07/08/52/819070852.db2.gz DTTKKBKICZOGHO-CALCHBBNSA-N 1 1 282.472 3.190 20 30 CGEDMO CCCCCCCCCCC[N@@H+]1C[C@H]2CNC[C@@H](C1)O2 ZINC001235336929 819070862 /nfs/dbraw/zinc/07/08/62/819070862.db2.gz DTTKKBKICZOGHO-CALCHBBNSA-N 1 1 282.472 3.190 20 30 CGEDMO C=CCCC(=O)NCCC[N@H+](C)[C@H](C)c1ccccc1C ZINC001235436667 819100089 /nfs/dbraw/zinc/10/00/89/819100089.db2.gz PKVJWAZOHVHYBP-MRXNPFEDSA-N 1 1 288.435 3.460 20 30 CGEDMO Cc1ccc(C[N@H+](C)Cc2ccccc2CC#N)cn1 ZINC001235526443 819116614 /nfs/dbraw/zinc/11/66/14/819116614.db2.gz YOPQZXFAEJDWRB-UHFFFAOYSA-N 1 1 265.360 3.088 20 30 CGEDMO CCCCCCC[N@@H+](C)C[C@@H]1[C@@H](C)CNCC1(F)F ZINC001235663883 819132377 /nfs/dbraw/zinc/13/23/77/819132377.db2.gz XRNAEKZMHAPPFV-UONOGXRCSA-N 1 1 276.415 3.379 20 30 CGEDMO CCOc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)ccc1F ZINC001235803420 819170942 /nfs/dbraw/zinc/17/09/42/819170942.db2.gz MUGNAYOXILJOTL-ZDUSSCGKSA-N 1 1 276.355 3.350 20 30 CGEDMO CCOc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)ccc1F ZINC001235803420 819170949 /nfs/dbraw/zinc/17/09/49/819170949.db2.gz MUGNAYOXILJOTL-ZDUSSCGKSA-N 1 1 276.355 3.350 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccncc1C(F)(F)F ZINC001237295974 819719490 /nfs/dbraw/zinc/71/94/90/819719490.db2.gz UXIAOCDUPCULQR-UHFFFAOYSA-N 1 1 258.287 3.498 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2c(Cl)[nH]c3cnccc32)CC1 ZINC001237460373 819755931 /nfs/dbraw/zinc/75/59/31/819755931.db2.gz GOABHWWOJBKOCZ-NSHDSACASA-N 1 1 288.782 3.342 20 30 CGEDMO C[N@@H+](C/C=C/c1ccccc1)Cc1ccnc(C#N)c1 ZINC001237461967 819757570 /nfs/dbraw/zinc/75/75/70/819757570.db2.gz CWYSFKGGFXFLQR-VMPITWQZSA-N 1 1 263.344 3.098 20 30 CGEDMO Cn1cc(C[N@H+]2CC3CCC2CC3)c2cc(C#N)ccc21 ZINC001237473906 819759080 /nfs/dbraw/zinc/75/90/80/819759080.db2.gz YQTRBNLXIRSNIK-UHFFFAOYSA-N 1 1 279.387 3.424 20 30 CGEDMO CC1(C)CCC[N@H+]1Cc1cc(C#N)c(F)cc1F ZINC001237524843 819770877 /nfs/dbraw/zinc/77/08/77/819770877.db2.gz MVOHLFTXWHOLET-UHFFFAOYSA-N 1 1 250.292 3.211 20 30 CGEDMO CC[N@@H+](Cc1cn2cc(C#N)ccc2n1)C1CCCCC1 ZINC001237604980 819785655 /nfs/dbraw/zinc/78/56/55/819785655.db2.gz UFTAEOJJNLNXQS-UHFFFAOYSA-N 1 1 282.391 3.361 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccccc2C2CCOCC2)C1 ZINC001237908650 819879778 /nfs/dbraw/zinc/87/97/78/819879778.db2.gz JMMCVYVZXIVUQV-MRXNPFEDSA-N 1 1 283.415 3.426 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(F)cc(OCC)c2)C1 ZINC001237919836 819886320 /nfs/dbraw/zinc/88/63/20/819886320.db2.gz KPCBVIOXLQBBBT-ZDUSSCGKSA-N 1 1 261.340 3.070 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2[nH]nc3cc(Cl)ccc32)C1 ZINC001238001086 819908475 /nfs/dbraw/zinc/90/84/75/819908475.db2.gz RLEHAHGIKHGNNM-LLVKDONJSA-N 1 1 288.782 3.342 20 30 CGEDMO C=CC[N@H+](C)Cc1cc(OC)ccc1C(F)(F)F ZINC001238058790 819920676 /nfs/dbraw/zinc/92/06/76/819920676.db2.gz OFZMBYGWBGMRDH-UHFFFAOYSA-N 1 1 259.271 3.332 20 30 CGEDMO C[C@@]1(CF)CC[N@@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238188544 819950550 /nfs/dbraw/zinc/95/05/50/819950550.db2.gz FEMNYBFSJPGIQW-AWEZNQCLSA-N 1 1 266.747 3.393 20 30 CGEDMO COc1cc(C[N@H+]2CCCCC23CC3)ccc1C#N ZINC001238412928 819988510 /nfs/dbraw/zinc/98/85/10/819988510.db2.gz KACWFBOJVWXUDT-UHFFFAOYSA-N 1 1 256.349 3.085 20 30 CGEDMO CC(C)Oc1cccc(C[NH+]2CCC(C#N)CC2)c1F ZINC001238423109 819991325 /nfs/dbraw/zinc/99/13/25/819991325.db2.gz VUOBAEOPPGIFGX-UHFFFAOYSA-N 1 1 276.355 3.348 20 30 CGEDMO COc1cc(C)cc(F)c1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001238590522 820053359 /nfs/dbraw/zinc/05/33/59/820053359.db2.gz GOZBCSNKNAROGO-ZDUSSCGKSA-N 1 1 276.355 3.268 20 30 CGEDMO COc1cc(C)cc(F)c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001238590522 820053370 /nfs/dbraw/zinc/05/33/70/820053370.db2.gz GOZBCSNKNAROGO-ZDUSSCGKSA-N 1 1 276.355 3.268 20 30 CGEDMO CCc1cc(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)ccc1C#N ZINC001238760339 820110227 /nfs/dbraw/zinc/11/02/27/820110227.db2.gz HWHJQFNQDIZROR-WMZOPIPTSA-N 1 1 284.403 3.122 20 30 CGEDMO CCc1cc(C[N@@H+]2CCc3cnccc3C2)ccc1C#N ZINC001238766540 820111742 /nfs/dbraw/zinc/11/17/42/820111742.db2.gz OWAPRNUHTMGBBA-UHFFFAOYSA-N 1 1 277.371 3.074 20 30 CGEDMO CCc1cc(C[N@H+]2CCc3cnccc3C2)ccc1C#N ZINC001238766540 820111747 /nfs/dbraw/zinc/11/17/47/820111747.db2.gz OWAPRNUHTMGBBA-UHFFFAOYSA-N 1 1 277.371 3.074 20 30 CGEDMO CCc1cc(C[N@H+]2CC[C@@](C)(CF)C2)ccc1C#N ZINC001238767358 820113736 /nfs/dbraw/zinc/11/37/36/820113736.db2.gz UKFRGLKCQWCNMT-INIZCTEOSA-N 1 1 260.356 3.302 20 30 CGEDMO N#Cc1cc(C2=CCC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC001240386820 821013040 /nfs/dbraw/zinc/01/30/40/821013040.db2.gz GBHVAACXBIPWCU-UHFFFAOYSA-N 1 1 275.355 3.243 20 30 CGEDMO N#Cc1ncc(F)cc1C1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001241503842 821906306 /nfs/dbraw/zinc/90/63/06/821906306.db2.gz FYPBKJNODIGEGS-UHFFFAOYSA-N 1 1 293.345 3.382 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3ccccc3)CC2)cn1 ZINC001241504383 821906358 /nfs/dbraw/zinc/90/63/58/821906358.db2.gz SZXDRJFSLFQULW-UHFFFAOYSA-N 1 1 275.355 3.243 20 30 CGEDMO C[N@@H+](Cc1ccc(-c2cc(F)cc(C#N)c2)nc1)C1CC1 ZINC001241655648 822033892 /nfs/dbraw/zinc/03/38/92/822033892.db2.gz WYPMAHCBHGIZOB-UHFFFAOYSA-N 1 1 281.334 3.354 20 30 CGEDMO C=C(C)CCC(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001339046352 936346990 /nfs/dbraw/zinc/34/69/90/936346990.db2.gz XVDIRNUHPXZXFO-INIZCTEOSA-N 1 1 286.419 3.076 20 30 CGEDMO C=C(C)CCC(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001339046352 936346991 /nfs/dbraw/zinc/34/69/91/936346991.db2.gz XVDIRNUHPXZXFO-INIZCTEOSA-N 1 1 286.419 3.076 20 30 CGEDMO C#Cc1ccc(NCCCC[N@@H+]2CCCC[C@H]2C)nc1 ZINC001339536595 936376035 /nfs/dbraw/zinc/37/60/35/936376035.db2.gz QYSQYCRRKIHIGZ-OAHLLOKOSA-N 1 1 271.408 3.129 20 30 CGEDMO Cc1ccc(C#N)nc1N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001339657940 936381734 /nfs/dbraw/zinc/38/17/34/936381734.db2.gz BMJCDRFFOGXVIO-LSDHHAIUSA-N 1 1 298.434 3.327 20 30 CGEDMO CS[C@@H]1CC[C@@H]([N@@H+](C)CCCC2(C#N)CCOCC2)C1 ZINC001339844213 936387852 /nfs/dbraw/zinc/38/78/52/936387852.db2.gz ONTDYXUDNSMHEC-HUUCEWRRSA-N 1 1 296.480 3.303 20 30 CGEDMO C#CC[N@H+](CC)Cc1c(C)cc(C)c(COC)c1C ZINC001474382681 937856153 /nfs/dbraw/zinc/85/61/53/937856153.db2.gz OCCRSJONTMDUGK-UHFFFAOYSA-N 1 1 259.393 3.213 20 30 CGEDMO C=C(CC(C)C)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001346452699 936849236 /nfs/dbraw/zinc/84/92/36/936849236.db2.gz XQNLNDYAMAPXJG-NVXWUHKLSA-N 1 1 290.451 3.064 20 30 CGEDMO CN(C)c1ccc(C#N)cc1C[N@H+](C)CCC(F)(F)F ZINC001349596769 936953624 /nfs/dbraw/zinc/95/36/24/936953624.db2.gz NGZUSYIGCOWAQK-UHFFFAOYSA-N 1 1 285.313 3.008 20 30 CGEDMO CN(C)c1ccc(C#N)cc1C[N@@H+](C)CCC(F)(F)F ZINC001349596769 936953626 /nfs/dbraw/zinc/95/36/26/936953626.db2.gz NGZUSYIGCOWAQK-UHFFFAOYSA-N 1 1 285.313 3.008 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)C1CCC1 ZINC001480324079 937046017 /nfs/dbraw/zinc/04/60/17/937046017.db2.gz OGKHMVZCRDFBKE-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC001473864695 937825520 /nfs/dbraw/zinc/82/55/20/937825520.db2.gz BSSXYPFSHOQIJZ-FZMZJTMJSA-N 1 1 278.783 3.317 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC001473864695 937825521 /nfs/dbraw/zinc/82/55/21/937825521.db2.gz BSSXYPFSHOQIJZ-FZMZJTMJSA-N 1 1 278.783 3.317 20 30 CGEDMO C=CC[N@@H+](CCOC1CCSCC1)CCc1ccco1 ZINC001354496191 937104374 /nfs/dbraw/zinc/10/43/74/937104374.db2.gz UUIOIJGGIGEXNL-UHFFFAOYSA-N 1 1 295.448 3.222 20 30 CGEDMO C=C(C)CCC(=O)N1c2ccc(C)cc2[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC001354899585 937115990 /nfs/dbraw/zinc/11/59/90/937115990.db2.gz ULKDHNBASIDVAH-WMZOPIPTSA-N 1 1 298.430 3.486 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001481119339 926890704 /nfs/dbraw/zinc/89/07/04/926890704.db2.gz UFAPYODWQAMQMQ-CVEARBPZSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)CC[N@H+](CCNC(=O)[C@@H]1C[C@@]1(C)C(C)C)C1CC1 ZINC001481192420 926905330 /nfs/dbraw/zinc/90/53/30/926905330.db2.gz VCNFWRFQWMNPMF-WMZOPIPTSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+](CCNC(=O)c1cccc(C2CC2)c1)C1CC1 ZINC001481200486 926907484 /nfs/dbraw/zinc/90/74/84/926907484.db2.gz OAOLNZXJQXCKLG-UHFFFAOYSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CCNC(=O)CC2CC(C)(C)C2)C1 ZINC001481447039 926987983 /nfs/dbraw/zinc/98/79/83/926987983.db2.gz OZIHMYIXVLBBID-HNNXBMFYSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCN(C(=O)C[C@H](CC)C(C)C)C1 ZINC001481505920 927006060 /nfs/dbraw/zinc/00/60/60/927006060.db2.gz XKVUQXYFKWDZNQ-CVEARBPZSA-N 1 1 280.456 3.025 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](CCCC)C(C)C)C1 ZINC001481507609 927007330 /nfs/dbraw/zinc/00/73/30/927007330.db2.gz CIIQAQCJSVJXLL-SJORKVTESA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C[C@H](C=C)CC)C1 ZINC001481536874 927019165 /nfs/dbraw/zinc/01/91/65/927019165.db2.gz QWMLYXVCWNFWQG-CVEARBPZSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001481686541 927057302 /nfs/dbraw/zinc/05/73/02/927057302.db2.gz GYUNOOOFWHUNPO-KGLIPLIRSA-N 1 1 292.467 3.214 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC001481705537 927067083 /nfs/dbraw/zinc/06/70/83/927067083.db2.gz PLTAQDBFVDFLDV-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC(=O)N(CC)[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001481763173 927083630 /nfs/dbraw/zinc/08/36/30/927083630.db2.gz XCRSYWHLLHCYHT-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)CC[C@@H](C)CC)C1 ZINC001481778289 927085627 /nfs/dbraw/zinc/08/56/27/927085627.db2.gz UJVGTHNFOYEOOQ-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@H+](C)CCCN(C)C(=O)[C@]1(C)CC=C(C)CC1 ZINC001502398484 927262472 /nfs/dbraw/zinc/26/24/72/927262472.db2.gz BJQMMJDMFVMZAQ-QGZVFWFLSA-N 1 1 278.440 3.089 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](C)CCC ZINC001505424828 927280449 /nfs/dbraw/zinc/28/04/49/927280449.db2.gz VVDIQYBUXIDUFM-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CC[N@H+](CC#CC)CCO[C@@H](CC)c1ccccc1 ZINC001473189827 937164951 /nfs/dbraw/zinc/16/49/51/937164951.db2.gz HGUNBOLJVMYGOB-SFHVURJKSA-N 1 1 269.388 3.113 20 30 CGEDMO C#CC[N@@H+](CC#CC)CCO[C@@H](CC)c1ccccc1 ZINC001473189827 937164954 /nfs/dbraw/zinc/16/49/54/937164954.db2.gz HGUNBOLJVMYGOB-SFHVURJKSA-N 1 1 269.388 3.113 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@H](C)NC(=O)CC1CCCC1 ZINC001483306889 927475963 /nfs/dbraw/zinc/47/59/63/927475963.db2.gz KADQJGGBNYUAOG-GJZGRUSLSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccccc1C ZINC001483306241 927476809 /nfs/dbraw/zinc/47/68/09/927476809.db2.gz DDORTBSHEGVFBI-HNNXBMFYSA-N 1 1 274.408 3.011 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@H](C)NC(=O)c1sccc1C ZINC001483303816 927478286 /nfs/dbraw/zinc/47/82/86/927478286.db2.gz GLGFVXHASZTXOQ-KBPBESRZSA-N 1 1 294.464 3.461 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)CC(C)(C)CC ZINC001483343275 927486272 /nfs/dbraw/zinc/48/62/72/927486272.db2.gz XPARALQKHDGHEL-AWEZNQCLSA-N 1 1 268.445 3.215 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H](C)C[N@@H+](C)CC1CCCC1 ZINC001483381384 927492129 /nfs/dbraw/zinc/49/21/29/927492129.db2.gz XWBXCZHEMRMQJT-PBHICJAKSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)c1cccs1 ZINC001483382172 927492614 /nfs/dbraw/zinc/49/26/14/927492614.db2.gz AXWRCOYAAYAXES-KGLIPLIRSA-N 1 1 294.464 3.254 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)c1cccn1C(C)C ZINC001483422825 927504354 /nfs/dbraw/zinc/50/43/54/927504354.db2.gz WDBZHYMDHKYDIR-HNNXBMFYSA-N 1 1 291.439 3.085 20 30 CGEDMO C=C(C)[C@@H](CO)[N@@H+]1CCc2cc(C(C)C)ccc2C1 ZINC001473904018 937829119 /nfs/dbraw/zinc/82/91/19/937829119.db2.gz KDNCINROEAQLHX-QGZVFWFLSA-N 1 1 259.393 3.105 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCCC)C1 ZINC001483802300 927625144 /nfs/dbraw/zinc/62/51/44/927625144.db2.gz PEUMPPSERGRRSC-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@](C)(NC(=O)c2coc(C)c2)C1 ZINC001484040679 927667149 /nfs/dbraw/zinc/66/71/49/927667149.db2.gz APWXRHKCYQNRQQ-GUYCJALGSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001484067791 927669887 /nfs/dbraw/zinc/66/98/87/927669887.db2.gz MPWHZXJPKATHEE-JFIYKMOQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[C@@H](F)C1 ZINC001484741752 927748973 /nfs/dbraw/zinc/74/89/73/927748973.db2.gz BXYDIQAVNBXDDH-JKSUJKDBSA-N 1 1 298.446 3.261 20 30 CGEDMO C=C1CCC(C(=O)N(C)CCC[N@H+](C)C[C@@H](F)CC)CC1 ZINC001484756949 927756252 /nfs/dbraw/zinc/75/62/52/927756252.db2.gz GVSZWHJPEBBNIY-INIZCTEOSA-N 1 1 298.446 3.261 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)/C(C)=C/C)C(C)(C)C1 ZINC001484931122 927775497 /nfs/dbraw/zinc/77/54/97/927775497.db2.gz DZPAUNAVNUFIAC-LULHVWEPSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)C2CC(C)(C)C2)C[C@H]1C ZINC001484974528 927781420 /nfs/dbraw/zinc/78/14/20/927781420.db2.gz VHKDBSDOIFBQIT-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC(C[N@@H+](CC)CCF)CC1 ZINC001485032010 927788501 /nfs/dbraw/zinc/78/85/01/927788501.db2.gz KNSOAKLCGOMVBT-UHFFFAOYSA-N 1 1 298.446 3.119 20 30 CGEDMO C=CC[N@H+](CC)CC1CCN(C(=O)[C@H](C)[C@@H](C)CC)CC1 ZINC001485033346 927793080 /nfs/dbraw/zinc/79/30/80/927793080.db2.gz DUGPDRIFZKZZGD-JKSUJKDBSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)C1(CC(C)C)CCC1 ZINC001485064477 927795078 /nfs/dbraw/zinc/79/50/78/927795078.db2.gz GTNXHUDBUUPYTL-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@]12C[C@H]1CCCC2 ZINC001485070099 927800055 /nfs/dbraw/zinc/80/00/55/927800055.db2.gz VKHSSPRAIBZOON-SOLBZPMBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)c2ccoc2C)C1 ZINC001493934283 927819952 /nfs/dbraw/zinc/81/99/52/927819952.db2.gz IRAODNXANQSACV-HNNXBMFYSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1ccc(C)s1 ZINC001485272211 927839714 /nfs/dbraw/zinc/83/97/14/927839714.db2.gz MVODOOQVVLWRPC-CHWSQXEVSA-N 1 1 294.464 3.461 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)C[C@H]1CC=CCC1 ZINC001485339079 927852441 /nfs/dbraw/zinc/85/24/41/927852441.db2.gz WFJRIYMOOOTZGH-CVEARBPZSA-N 1 1 278.440 3.136 20 30 CGEDMO CC[C@H]1CC[N@@H+](CCOc2cccc(C#N)c2)[C@@H]1C ZINC001473402580 937199555 /nfs/dbraw/zinc/19/95/55/937199555.db2.gz LGEXZHHVZLBBBJ-HIFRSBDPSA-N 1 1 258.365 3.057 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCCCC[N@H+]1CC1CCC1 ZINC001485474530 927874640 /nfs/dbraw/zinc/87/46/40/927874640.db2.gz CGTJGFOYHNIKSD-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C)C(C)(C)C ZINC001485480753 927879620 /nfs/dbraw/zinc/87/96/20/927879620.db2.gz XQVSATYTUAWNIS-CVEARBPZSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1C[N@H+](CC=C(C)C)CC1(C)C ZINC001485574607 927891775 /nfs/dbraw/zinc/89/17/75/927891775.db2.gz VCWJVJDWZBRQRY-HNNXBMFYSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCC(C)C)[C@@H]2C1 ZINC001485587930 927893832 /nfs/dbraw/zinc/89/38/32/927893832.db2.gz UUWLSMIHBQJFIN-LUKYLMHMSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCC)C[C@@H]2C1 ZINC001485656818 927894578 /nfs/dbraw/zinc/89/45/78/927894578.db2.gz XXYBUJJELLTTLA-GVDBMIGSSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+](C)C1CCN(C(=O)[C@]2(C)CC=CCC2)CC1 ZINC001485757360 927911855 /nfs/dbraw/zinc/91/18/55/927911855.db2.gz IPZNNVCUMHGUBJ-GOSISDBHSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CCC(=O)N[C@@]12CCC[C@@H]1[N@@H+](CCCC)CC2 ZINC001486145822 927989592 /nfs/dbraw/zinc/98/95/92/927989592.db2.gz LRFXXWPIWWXQEN-DOTOQJQBSA-N 1 1 278.440 3.256 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@]2(NC(=O)C(C)C)CCC[C@@H]12 ZINC001486142767 927990090 /nfs/dbraw/zinc/99/00/90/927990090.db2.gz ZFKJEIMRUDEGMO-ZMSDIMECSA-N 1 1 278.440 3.110 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)/C=C(/C)C2CC2)[C@H]1C ZINC001486172342 927991807 /nfs/dbraw/zinc/99/18/07/927991807.db2.gz UKAGTYLPSXVVJS-DXEZKJKHSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C(C)C)[C@H]1C ZINC001486173926 927993803 /nfs/dbraw/zinc/99/38/03/927993803.db2.gz OLXYWUVEGYLRPR-CABCVRRESA-N 1 1 280.456 3.214 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)CC(C)C)[C@H]1C ZINC001486184154 927995911 /nfs/dbraw/zinc/99/59/11/927995911.db2.gz QSXZGQBKNZXIMN-CABCVRRESA-N 1 1 280.456 3.214 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CCC[N@@H+](CC2CCC2)[C@H]1C ZINC001486176723 927996320 /nfs/dbraw/zinc/99/63/20/927996320.db2.gz LBFONMCHXMLPAH-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC[C@@](CF)(C(F)(F)F)C2)cc1 ZINC001144568263 928198527 /nfs/dbraw/zinc/19/85/27/928198527.db2.gz OWOZQTGPZOPKJA-AWEZNQCLSA-N 1 1 285.284 3.392 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCCC[C@](C)(C(=O)OCC)C2)cc1 ZINC001144568427 928198792 /nfs/dbraw/zinc/19/87/92/928198792.db2.gz VBLLGPSUJNOKRT-IBGZPJMESA-N 1 1 299.414 3.223 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)CC2CC(C)(C)C2)C1 ZINC001494912314 928276375 /nfs/dbraw/zinc/27/63/75/928276375.db2.gz ZNWJHSVHGBUKDR-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CCC[N@H+]2C/C=C\Cl)CCC1 ZINC001493135428 928295209 /nfs/dbraw/zinc/29/52/09/928295209.db2.gz IIFJHWFKZMTMCT-XTXQVDMPSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CCC[N@@H+]2C/C=C\Cl)CCC1 ZINC001493135428 928295218 /nfs/dbraw/zinc/29/52/18/928295218.db2.gz IIFJHWFKZMTMCT-XTXQVDMPSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CCC[N@H+]2C/C=C/Cl)CCC1 ZINC001493135426 928296373 /nfs/dbraw/zinc/29/63/73/928296373.db2.gz IIFJHWFKZMTMCT-SEIPJRMCSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CCC[N@@H+]2C/C=C/Cl)CCC1 ZINC001493135426 928296382 /nfs/dbraw/zinc/29/63/82/928296382.db2.gz IIFJHWFKZMTMCT-SEIPJRMCSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)CCC)C1 ZINC001480724046 937235841 /nfs/dbraw/zinc/23/58/41/937235841.db2.gz YFMDNCQNGUUMMS-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@H]1CC[N@@H+](CCF)CC(C)(C)C1 ZINC001489347639 928327280 /nfs/dbraw/zinc/32/72/80/928327280.db2.gz OYAZLBUBGZWLCD-GJZGRUSLSA-N 1 1 298.446 3.165 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](C)C(C)C ZINC001489329360 928327314 /nfs/dbraw/zinc/32/73/14/928327314.db2.gz DHPSJPUGFLNBQD-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)c1cc(C)co1 ZINC001489327722 928329402 /nfs/dbraw/zinc/32/94/02/928329402.db2.gz FEQUXMRDFUROQW-HNNXBMFYSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@H+](C[C@@H](F)CC)CC(C)(C)C1 ZINC001489343662 928329773 /nfs/dbraw/zinc/32/97/73/928329773.db2.gz IPOLYQLKEFILEU-GJZGRUSLSA-N 1 1 298.446 3.308 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)C(C)C)[C@H]1CC ZINC001368700556 937237498 /nfs/dbraw/zinc/23/74/98/937237498.db2.gz LQEMMYOENAVPRF-MELADBBJSA-N 1 1 286.847 3.000 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C(C)C)[C@H]1CC ZINC001368700556 937237500 /nfs/dbraw/zinc/23/75/00/937237500.db2.gz LQEMMYOENAVPRF-MELADBBJSA-N 1 1 286.847 3.000 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)c1ccsc1C ZINC001490189553 928338175 /nfs/dbraw/zinc/33/81/75/928338175.db2.gz PGDRWKVJDITLOF-CYBMUJFWSA-N 1 1 294.464 3.463 20 30 CGEDMO C=C(C)C[N@@H+](CCCNC(=O)C1C(C)(C)C1(C)C)C1CC1 ZINC001490366288 928350918 /nfs/dbraw/zinc/35/09/18/928350918.db2.gz DZIMTDRDZOLQQT-UHFFFAOYSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)C[C@H]1CCCC[C@H]1C)C1CC1 ZINC001490392932 928353032 /nfs/dbraw/zinc/35/30/32/928353032.db2.gz JYAIKQKWDOJNLB-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccccc2C)C1 ZINC001490517962 928367743 /nfs/dbraw/zinc/36/77/43/928367743.db2.gz YYXPQMDVLGRODX-HZPDHXFCSA-N 1 1 286.419 3.154 20 30 CGEDMO CC#CC[N@H+]1CC[C@H](NC(=O)[C@](C)(CC)CCCCC)C1 ZINC001490579979 928375251 /nfs/dbraw/zinc/37/52/51/928375251.db2.gz MRIMVRFXMMEITK-FUHWJXTLSA-N 1 1 292.467 3.197 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@](C)(CC)CCCCC)C1 ZINC001490579979 928375261 /nfs/dbraw/zinc/37/52/61/928375261.db2.gz MRIMVRFXMMEITK-FUHWJXTLSA-N 1 1 292.467 3.197 20 30 CGEDMO C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)CC(CC)CC)C1 ZINC001490773216 928386761 /nfs/dbraw/zinc/38/67/61/928386761.db2.gz CQAHVGQHKDVFIN-KRWDZBQOSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@](C)(F)CCCC ZINC001490793095 928389469 /nfs/dbraw/zinc/38/94/69/928389469.db2.gz BFSSHPIJCCFJLG-UXLLHSPISA-N 1 1 296.430 3.156 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@](C)(F)CCCC ZINC001490793095 928389479 /nfs/dbraw/zinc/38/94/79/928389479.db2.gz BFSSHPIJCCFJLG-UXLLHSPISA-N 1 1 296.430 3.156 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)c1cccc(F)c1 ZINC001492906586 937243179 /nfs/dbraw/zinc/24/31/79/937243179.db2.gz NFOVVHGTXXSPMN-AWEZNQCLSA-N 1 1 292.398 3.232 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@H](OC)C[C@H]1C(=O)OC ZINC001459818167 928727052 /nfs/dbraw/zinc/72/70/52/928727052.db2.gz ILAHNEPLCIODDU-HOTGVXAUSA-N 1 1 299.455 3.389 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]2C[N@@H+](CCCC)CC[C@@H]21 ZINC001490985471 928823763 /nfs/dbraw/zinc/82/37/63/928823763.db2.gz ZRFGPNDEDFSEQA-SJORKVTESA-N 1 1 292.467 3.456 20 30 CGEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)CCC(C)(C)C ZINC001491229579 928848084 /nfs/dbraw/zinc/84/80/84/928848084.db2.gz IPMSKZBCEKPWEH-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2=CCCC2)C1 ZINC001491290858 928853537 /nfs/dbraw/zinc/85/35/37/928853537.db2.gz UKFKSENWTBPITL-WBVHZDCISA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(CC)CC)C1 ZINC001491299753 928854828 /nfs/dbraw/zinc/85/48/28/928854828.db2.gz INSJFSOYAXCNIT-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C/C=C(\C)C=C)C1 ZINC001491292867 928855039 /nfs/dbraw/zinc/85/50/39/928855039.db2.gz NSZNYKMODDTCAW-GUJBPHSMSA-N 1 1 290.451 3.302 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001493184245 928860551 /nfs/dbraw/zinc/86/05/51/928860551.db2.gz FHFNVVHVGJYWIL-HNNXBMFYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[C@H]1CCCN1C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001439848475 937321986 /nfs/dbraw/zinc/32/19/86/937321986.db2.gz SJYUYTVSTPBDQP-WMLDXEAASA-N 1 1 296.430 3.156 20 30 CGEDMO CCCCCCCCSC[C@H]1C[N@H+](C)CCO1 ZINC001459159008 937481404 /nfs/dbraw/zinc/48/14/04/937481404.db2.gz QAGPCLDNNZBWNF-CQSZACIVSA-N 1 1 259.459 3.411 20 30 CGEDMO CCCCCCCCSC[C@H]1C[N@@H+](C)CCO1 ZINC001459159008 937481406 /nfs/dbraw/zinc/48/14/06/937481406.db2.gz QAGPCLDNNZBWNF-CQSZACIVSA-N 1 1 259.459 3.411 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2C(C)C)cc1 ZINC001459564894 937491666 /nfs/dbraw/zinc/49/16/66/937491666.db2.gz PIWFFSCYLCQAQO-QGZVFWFLSA-N 1 1 284.403 3.117 20 30 CGEDMO CC[N@@H+](CC#CCOC)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC001459554465 937491788 /nfs/dbraw/zinc/49/17/88/937491788.db2.gz BHQONFMHSCNGKQ-SFHVURJKSA-N 1 1 291.410 3.365 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C(C)(C)C)C2)cc1 ZINC001459805745 937501076 /nfs/dbraw/zinc/50/10/76/937501076.db2.gz HXSOIBZAJONSJW-INIZCTEOSA-N 1 1 298.430 3.365 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](C[C@H](C)C2CCCCC2)C1 ZINC001459820093 937501925 /nfs/dbraw/zinc/50/19/25/937501925.db2.gz QCXNTIWWFRDGOR-HOCLYGCPSA-N 1 1 251.414 3.480 20 30 CGEDMO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1cc(C#N)ccn1 ZINC001459931536 937507222 /nfs/dbraw/zinc/50/72/22/937507222.db2.gz JJKOFJHJAFJUJE-CMPLNLGQSA-N 1 1 283.297 3.116 20 30 CGEDMO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1cc(C#N)ccn1 ZINC001459931536 937507224 /nfs/dbraw/zinc/50/72/24/937507224.db2.gz JJKOFJHJAFJUJE-CMPLNLGQSA-N 1 1 283.297 3.116 20 30 CGEDMO C=CCCCC[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(=O)OC)C1 ZINC001460412384 937530882 /nfs/dbraw/zinc/53/08/82/937530882.db2.gz BMAOVHNDDJFHOC-NWDGAFQWSA-N 1 1 293.329 3.016 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(C)c(C(=O)OC)c2)C1 ZINC001460521746 937533721 /nfs/dbraw/zinc/53/37/21/937533721.db2.gz KFVQRYXJNOGRCG-CQSZACIVSA-N 1 1 273.376 3.180 20 30 CGEDMO N#Cc1ccc2[nH]cc(C[N@@H+]3CCC[C@H](C#N)CC3)c2c1 ZINC001140115385 931955797 /nfs/dbraw/zinc/95/57/97/931955797.db2.gz YVTNQNYAQDMZJA-ZDUSSCGKSA-N 1 1 278.359 3.165 20 30 CGEDMO CC[N@H+]1CCN(Cc2cc(C#N)ccc2Cl)C(C)(C)C1 ZINC001140603429 931959457 /nfs/dbraw/zinc/95/94/57/931959457.db2.gz NZLRUALQHHSYOA-UHFFFAOYSA-N 1 1 291.826 3.128 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1[C@@H](CCc1ccccc1)C(=O)OCC ZINC001460912029 937552525 /nfs/dbraw/zinc/55/25/25/937552525.db2.gz XYBBMUVZFVKQMK-IRXDYDNUSA-N 1 1 287.403 3.201 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1[C@@H](CCc1ccccc1)C(=O)OCC ZINC001460912029 937552526 /nfs/dbraw/zinc/55/25/26/937552526.db2.gz XYBBMUVZFVKQMK-IRXDYDNUSA-N 1 1 287.403 3.201 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CCC(C)(C)C1 ZINC001158456783 931980463 /nfs/dbraw/zinc/98/04/63/931980463.db2.gz BQZGBIMFZYSRJX-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO CC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H](C)C(C)C ZINC001157675658 931980791 /nfs/dbraw/zinc/98/07/91/931980791.db2.gz SHOBUJBTXXACGO-IAGOWNOFSA-N 1 1 292.467 3.005 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCC[C@H](C3CCCC3)C2)c1 ZINC001460948022 937555660 /nfs/dbraw/zinc/55/56/60/937555660.db2.gz MPRLERMEGITTGN-KRWDZBQOSA-N 1 1 269.392 3.355 20 30 CGEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cc(C#N)ccc1Cl)C2 ZINC001229248713 932122786 /nfs/dbraw/zinc/12/27/86/932122786.db2.gz OXWSTUMVHJMZGC-CLLJXQQHSA-N 1 1 276.767 3.216 20 30 CGEDMO C=CCCC(=O)N1CCC([C@H]2CCC[N@@H+]2CCCF)CC1 ZINC001230533240 932584907 /nfs/dbraw/zinc/58/49/07/932584907.db2.gz JAUUWQYUCLMSGQ-MRXNPFEDSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)CCC(=O)N1CCC([C@H]2CCC[N@H+]2CCF)CC1 ZINC001230572056 932592017 /nfs/dbraw/zinc/59/20/17/932592017.db2.gz LBQCNIRUZAOQAO-MRXNPFEDSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC([C@@H]2CCC[N@H+]2CC)CC1 ZINC001230586528 932594014 /nfs/dbraw/zinc/59/40/14/932594014.db2.gz AJGHYHRGNPPSSK-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)[C@@H]1CC[C@@H](C)C[C@@H]1Oc1[nH+][nH]cc2nncc1-2 ZINC001230899796 932638968 /nfs/dbraw/zinc/63/89/68/932638968.db2.gz AASLLXVYTOHKOQ-SUNKGSAMSA-N 1 1 272.352 3.113 20 30 CGEDMO C=CC[C@@H](Oc1[nH+][nH]cc2nncc1-2)c1ccccc1 ZINC001230900868 932639472 /nfs/dbraw/zinc/63/94/72/932639472.db2.gz LPABJNNWKIZNRD-CQSZACIVSA-N 1 1 266.304 3.049 20 30 CGEDMO C[C@@]1(F)CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC001232842166 932683003 /nfs/dbraw/zinc/68/30/03/932683003.db2.gz MPWZHAONXPOBNA-CYBMUJFWSA-N 1 1 252.358 3.334 20 30 CGEDMO C=CC[N@@H+](C)CCCNC(=O)c1ccc(C2CCC2)cc1 ZINC001264993497 932742267 /nfs/dbraw/zinc/74/22/67/932742267.db2.gz OHVCTBKSYARSIH-UHFFFAOYSA-N 1 1 286.419 3.192 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N(C)C[C@H]1CC[N@@H+]1CC/C=C\CC ZINC001316601114 932745597 /nfs/dbraw/zinc/74/55/97/932745597.db2.gz OKNKXXDSQIAKHS-HLRDLLSLSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CC[C@@H]([NH2+]C[C@@H](C)C1CCCCC1)C(=O)OCC ZINC001462186343 937623532 /nfs/dbraw/zinc/62/35/32/937623532.db2.gz CRZKITATQLHBPT-UKRRQHHQSA-N 1 1 267.413 3.300 20 30 CGEDMO C=CCC[C@H]([NH2+]CCC(C)(C)SC)C(=O)OCC ZINC001462248904 937627562 /nfs/dbraw/zinc/62/75/62/937627562.db2.gz NROJPGPRXUBMQD-LBPRGKRZSA-N 1 1 273.442 3.006 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)CCC)C1 ZINC001491903818 932794928 /nfs/dbraw/zinc/79/49/28/932794928.db2.gz GPIHUMLMBZXZKA-MRXNPFEDSA-N 1 1 280.456 3.456 20 30 CGEDMO CN(C)C[C@H]([NH2+]CC#Cc1ccccc1)c1ccc(F)cc1 ZINC001462318256 937631619 /nfs/dbraw/zinc/63/16/19/937631619.db2.gz VVXLJSXEZQWZDX-IBGZPJMESA-N 1 1 296.389 3.070 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)c1cccc2cc[nH]c21 ZINC001492426225 932817789 /nfs/dbraw/zinc/81/77/89/932817789.db2.gz ACHRSIGDKQTGTK-CQSZACIVSA-N 1 1 299.418 3.184 20 30 CGEDMO C=C1CC(C)(C(=O)NCC[N@H+](C)CC/C=C/CCC)C1 ZINC001317461951 932882203 /nfs/dbraw/zinc/88/22/03/932882203.db2.gz KDJWGXRYJGIEQA-BQYQJAHWSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC001462457795 937643230 /nfs/dbraw/zinc/64/32/30/937643230.db2.gz AMZICFWNQGQCFK-INIZCTEOSA-N 1 1 271.404 3.452 20 30 CGEDMO C#CC[N@@H+](C/C=C\c1ccc(F)cc1F)C1CSC1 ZINC001462516871 937646687 /nfs/dbraw/zinc/64/66/87/937646687.db2.gz FOCYHWYYLOVAOL-ARJAWSKDSA-N 1 1 279.355 3.029 20 30 CGEDMO C#CC[N@H+](C/C=C\c1ccc(F)cc1F)C1CSC1 ZINC001462516871 937646688 /nfs/dbraw/zinc/64/66/88/937646688.db2.gz FOCYHWYYLOVAOL-ARJAWSKDSA-N 1 1 279.355 3.029 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)CCc1cccc(OC(F)(F)F)c1 ZINC001307679853 932984858 /nfs/dbraw/zinc/98/48/58/932984858.db2.gz NATMMRTVAXLCAX-UHFFFAOYSA-N 1 1 285.309 3.471 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H](Cc1ccccc1)OC ZINC001307731322 932992518 /nfs/dbraw/zinc/99/25/18/932992518.db2.gz DOIJTIQXHWPUBG-IAGOWNOFSA-N 1 1 259.393 3.285 20 30 CGEDMO C[N@@H+](C[C@@H](O)c1cccc(C#N)c1)[C@H]1CCC(C)(C)C1 ZINC001307739226 932994623 /nfs/dbraw/zinc/99/46/23/932994623.db2.gz WULUNQJYBAYEQC-JKSUJKDBSA-N 1 1 272.392 3.102 20 30 CGEDMO CC1(C)CCC[N@H+](C[Si](C)(C)c2ccccc2)[C@@H]1C#N ZINC001307747449 932995898 /nfs/dbraw/zinc/99/58/98/932995898.db2.gz WENUPNCKNLKEBI-MRXNPFEDSA-N 1 1 286.495 3.155 20 30 CGEDMO CC1(C)CCC[N@@H+](C[Si](C)(C)c2ccccc2)[C@@H]1C#N ZINC001307747449 932995902 /nfs/dbraw/zinc/99/59/02/932995902.db2.gz WENUPNCKNLKEBI-MRXNPFEDSA-N 1 1 286.495 3.155 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCN(Cc2ccccc2)C[C@@H](C)C1 ZINC001307773841 932998361 /nfs/dbraw/zinc/99/83/61/932998361.db2.gz AOMGHIKAGXTJBT-IAGOWNOFSA-N 1 1 272.436 3.405 20 30 CGEDMO C#CCOCC[N@H+](C)[C@H]1CCCC[C@H]1c1ccccc1 ZINC001307844663 933008562 /nfs/dbraw/zinc/00/85/62/933008562.db2.gz RTXUNOGAXXRZDZ-ROUUACIJSA-N 1 1 271.404 3.294 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC001307914669 933017965 /nfs/dbraw/zinc/01/79/65/933017965.db2.gz JLWJNMYQJPVGTR-CQSZACIVSA-N 1 1 290.363 3.262 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)N(C(C)C)C2CCCC2)C1 ZINC001307913967 933018152 /nfs/dbraw/zinc/01/81/52/933018152.db2.gz ARSJGEXUIWMEBZ-MRXNPFEDSA-N 1 1 292.467 3.454 20 30 CGEDMO CC1(C)CCC(C)(C)[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC001307944919 933023566 /nfs/dbraw/zinc/02/35/66/933023566.db2.gz MRBWYCBUICFWID-UHFFFAOYSA-N 1 1 299.418 3.397 20 30 CGEDMO C[N@H+](CCN1CCCc2ccccc21)[C@H]1CCC[C@@H]1C#N ZINC001307992029 933030391 /nfs/dbraw/zinc/03/03/91/933030391.db2.gz BNGLKNMHVPEZKD-SJORKVTESA-N 1 1 283.419 3.063 20 30 CGEDMO C[N@@H+](CCN1CCCc2ccccc21)[C@H]1CCC[C@@H]1C#N ZINC001307992029 933030394 /nfs/dbraw/zinc/03/03/94/933030394.db2.gz BNGLKNMHVPEZKD-SJORKVTESA-N 1 1 283.419 3.063 20 30 CGEDMO C[N@@H+](CCOCc1ccccc1)CCc1cccc(C#N)c1 ZINC001308017140 933035965 /nfs/dbraw/zinc/03/59/65/933035965.db2.gz SRDBFDADLZPHCW-UHFFFAOYSA-N 1 1 294.398 3.249 20 30 CGEDMO C#CC[N@H+](Cc1cccc(OC(C)(C)C)n1)C(C)(C)C ZINC001308089098 933046634 /nfs/dbraw/zinc/04/66/34/933046634.db2.gz XAEOBMSARRFXSW-UHFFFAOYSA-N 1 1 274.408 3.493 20 30 CGEDMO C=CCC[C@@H]1CCC[N@H+]1C[C@@H]1COc2ccccc2O1 ZINC001308136288 933054660 /nfs/dbraw/zinc/05/46/60/933054660.db2.gz KGIJBHGNVIRDQE-HUUCEWRRSA-N 1 1 273.376 3.257 20 30 CGEDMO C#C[C@H]1CCCC[N@@H+]1CCOc1ccc(Cl)c(F)c1 ZINC001308143876 933056403 /nfs/dbraw/zinc/05/64/03/933056403.db2.gz WVCQOBWWVARUIS-LBPRGKRZSA-N 1 1 281.758 3.346 20 30 CGEDMO C#Cc1cccc(C[NH2+]Cc2c(F)cccc2OCC)c1 ZINC001308435595 933110420 /nfs/dbraw/zinc/11/04/20/933110420.db2.gz NDKYQZOVRSBALN-UHFFFAOYSA-N 1 1 283.346 3.496 20 30 CGEDMO C#Cc1ccc(CNC[C@H]2CC[N@@H+]2C2CCCCC2)cc1 ZINC001308466973 933115088 /nfs/dbraw/zinc/11/50/88/933115088.db2.gz SCWXIAYTFCHFFF-LJQANCHMSA-N 1 1 282.431 3.165 20 30 CGEDMO C#Cc1ccc(CNC[C@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC001308466973 933115092 /nfs/dbraw/zinc/11/50/92/933115092.db2.gz SCWXIAYTFCHFFF-LJQANCHMSA-N 1 1 282.431 3.165 20 30 CGEDMO C=CCC[C@@H]([NH2+][C@H]1CCC(C)(C)C1)C(=O)OCC ZINC001308769414 933174121 /nfs/dbraw/zinc/17/41/21/933174121.db2.gz HRQYHDOQEXIMTQ-QWHCGFSZSA-N 1 1 253.386 3.053 20 30 CGEDMO C#CCCCCCC[N@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC001308784428 933176113 /nfs/dbraw/zinc/17/61/13/933176113.db2.gz IKHFWUUUKRGENI-IRXDYDNUSA-N 1 1 261.409 3.214 20 30 CGEDMO CC(C)[C@H]1[N@@H+](Cc2cc(C#N)ccc2N(C)C)CC1(C)C ZINC001308790259 933178348 /nfs/dbraw/zinc/17/83/48/933178348.db2.gz HPYHNIUODNCSMZ-QGZVFWFLSA-N 1 1 285.435 3.491 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cc3c(cccc3O)s2)C1 ZINC001308880102 933196451 /nfs/dbraw/zinc/19/64/51/933196451.db2.gz GKVBWVFUVUOXQR-LBPRGKRZSA-N 1 1 271.385 3.452 20 30 CGEDMO C=C(C)C[C@@H]([NH2+]C(CCC)CCC)C(=O)OCC ZINC001308918752 933204810 /nfs/dbraw/zinc/20/48/10/933204810.db2.gz RQHXNPXGDMJMFA-CQSZACIVSA-N 1 1 255.402 3.443 20 30 CGEDMO C=CCCCCCCNC(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC001311079364 933269410 /nfs/dbraw/zinc/26/94/10/933269410.db2.gz XVLGMPRSDOGNAJ-UHFFFAOYSA-N 1 1 290.411 3.406 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)C=C1CCCCC1 ZINC001317499691 933287514 /nfs/dbraw/zinc/28/75/14/933287514.db2.gz YIHISBTVUZBNPP-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)C(CC)CC ZINC001317503611 933293410 /nfs/dbraw/zinc/29/34/10/933293410.db2.gz QCGZUSQXOIEVRB-ZBFHGGJFSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)C(CC)CC ZINC001317503608 933293534 /nfs/dbraw/zinc/29/35/34/933293534.db2.gz QCGZUSQXOIEVRB-GDBMZVCRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001317519917 933335892 /nfs/dbraw/zinc/33/58/92/933335892.db2.gz HZQXHPBTBPYODG-OAHLLOKOSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC001317036218 933468236 /nfs/dbraw/zinc/46/82/36/933468236.db2.gz SCVLKPFBSUGGRH-IAGOWNOFSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CC1CC1 ZINC001316801379 933483416 /nfs/dbraw/zinc/48/34/16/933483416.db2.gz QDLRFTYJHOYIOM-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO CC#CC[N@H+](CC)CCCNC(=O)[C@@H]1CCC[C@H]1CCC ZINC001316896935 933493114 /nfs/dbraw/zinc/49/31/14/933493114.db2.gz VUKMMWKRBNBQNV-IAGOWNOFSA-N 1 1 292.467 3.054 20 30 CGEDMO C=C(Cl)C[N@H+](CCCNC(=O)c1ccccc1)C1CC1 ZINC001316912238 933494253 /nfs/dbraw/zinc/49/42/53/933494253.db2.gz PHESXQYOZYNKBD-UHFFFAOYSA-N 1 1 292.810 3.023 20 30 CGEDMO C=C(Cl)C[N@@H+](CCCNC(=O)c1ccccc1)C1CC1 ZINC001316912238 933494256 /nfs/dbraw/zinc/49/42/56/933494256.db2.gz PHESXQYOZYNKBD-UHFFFAOYSA-N 1 1 292.810 3.023 20 30 CGEDMO C=C(C)CC[N@@H+](CCCNC(=O)C1(C)CC=CC1)C1CC1 ZINC001316923547 933495109 /nfs/dbraw/zinc/49/51/09/933495109.db2.gz SMODEBYKOBXHEH-UHFFFAOYSA-N 1 1 290.451 3.280 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)C2CC=CC2)C1 ZINC001316972997 933503187 /nfs/dbraw/zinc/50/31/87/933503187.db2.gz FKWXZIWCYQTLND-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C)CC)C1 ZINC001317036994 933517574 /nfs/dbraw/zinc/51/75/74/933517574.db2.gz ZMUFZGPNFGOSHG-JKSUJKDBSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[C@@H](C[N@@H+](C)CC(=C)C)C1 ZINC001317040107 933519101 /nfs/dbraw/zinc/51/91/01/933519101.db2.gz WYDKZKXGWWDWND-SJORKVTESA-N 1 1 292.467 3.335 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[C@@H](C[N@@H+](C)CC(C)C)C1 ZINC001317038062 933519243 /nfs/dbraw/zinc/51/92/43/933519243.db2.gz FQPGOUUJYGJMKO-SJORKVTESA-N 1 1 294.483 3.415 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H](C[N@@H+](C)C/C=C\Cl)C1 ZINC001317038235 933519662 /nfs/dbraw/zinc/51/96/62/933519662.db2.gz HAENBLQYQYISCZ-LEJCZOIISA-N 1 1 298.858 3.122 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC001317127891 933536996 /nfs/dbraw/zinc/53/69/96/933536996.db2.gz JYAAYRCCTYTZBO-QGZVFWFLSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCCCC(C)C ZINC001317177653 933547908 /nfs/dbraw/zinc/54/79/08/933547908.db2.gz XBCFLTVIXQTSST-MRXNPFEDSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]([N@@H+](C)C/C=C/Cl)C1 ZINC001317380139 933582720 /nfs/dbraw/zinc/58/27/20/933582720.db2.gz ZHUWUGKHZFNGTQ-DYIUODAASA-N 1 1 298.858 3.264 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC[N@H+](C)CCCC(C)C ZINC001317459485 933597314 /nfs/dbraw/zinc/59/73/14/933597314.db2.gz QQXJYAZKMKYEBC-UHFFFAOYSA-N 1 1 268.445 3.073 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CC)CCNC(=O)c1ccc(Cl)o1 ZINC001317473163 933599386 /nfs/dbraw/zinc/59/93/86/933599386.db2.gz KOADQHCRKKSFEI-GFCCVEGCSA-N 1 1 298.814 3.339 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)CC ZINC001317506758 933608404 /nfs/dbraw/zinc/60/84/04/933608404.db2.gz FFSPSJHFAZDDIX-GJZGRUSLSA-N 1 1 280.456 3.358 20 30 CGEDMO C#CCC[N@@H+](CCC)CCNC(=O)C1(C)CCCCCC1 ZINC001317540864 933614056 /nfs/dbraw/zinc/61/40/56/933614056.db2.gz NOWHITBPDYRHQY-UHFFFAOYSA-N 1 1 292.467 3.198 20 30 CGEDMO C=C(C)CC[N@@H+](CCNC(=O)C1(F)CCCCC1)C1CC1 ZINC001317559521 933619503 /nfs/dbraw/zinc/61/95/03/933619503.db2.gz ZETPJFWTTBKGRW-UHFFFAOYSA-N 1 1 296.430 3.206 20 30 CGEDMO C=CC[N@H+](CCNC(=O)c1ccc(C(C)C)cc1)C1CC1 ZINC001317559609 933619810 /nfs/dbraw/zinc/61/98/10/933619810.db2.gz BRADESGEYQEMMD-UHFFFAOYSA-N 1 1 286.419 3.190 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001317772143 933646993 /nfs/dbraw/zinc/64/69/93/933646993.db2.gz LTLCLTIOCUOLKN-YESZJQIVSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](C)C2CCCC2)C1 ZINC001317808705 933654844 /nfs/dbraw/zinc/65/48/44/933654844.db2.gz GWNIXPXULKEDCF-JKSUJKDBSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC2(C)C)C1 ZINC001317847993 933656752 /nfs/dbraw/zinc/65/67/52/933656752.db2.gz JXRZGOAQUXZSPX-HZPDHXFCSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)CC(C)(C)CC)C1 ZINC001317839714 933656959 /nfs/dbraw/zinc/65/69/59/933656959.db2.gz KHLCOVYCXHIMCY-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCCC(=O)N1CC[C@@H](C[N@H+](C)CCC(C)C)C1 ZINC001317849763 933659037 /nfs/dbraw/zinc/65/90/37/933659037.db2.gz ZGNGLOIKRDYGOE-INIZCTEOSA-N 1 1 280.456 3.169 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)C(C)(C)CC)C1 ZINC001318059847 933680183 /nfs/dbraw/zinc/68/01/83/933680183.db2.gz YYVAVZOWRDBBFH-UHFFFAOYSA-N 1 1 268.445 3.193 20 30 CGEDMO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC/C=C\CCC ZINC001318209808 933696178 /nfs/dbraw/zinc/69/61/78/933696178.db2.gz PZSVYSZHZTXWSV-ALLYREJPSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[N@H+](CCCC(C)C)C2)CC1 ZINC001318275556 933704509 /nfs/dbraw/zinc/70/45/09/933704509.db2.gz AYOWILZVDPJKQD-KRWDZBQOSA-N 1 1 292.467 3.360 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC)CCCCC)C1 ZINC001318445091 933726004 /nfs/dbraw/zinc/72/60/04/933726004.db2.gz JNROTXGFBKAJSL-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OC(C)C)cc1)CC1CC1 ZINC001319962393 933966593 /nfs/dbraw/zinc/96/65/93/933966593.db2.gz LERIPBFVPLECLL-UHFFFAOYSA-N 1 1 257.377 3.319 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@@H]1C[C@H]1C1CCCC1 ZINC001320066248 933991023 /nfs/dbraw/zinc/99/10/23/933991023.db2.gz DCPLLAHKLYHGQW-DLBZAZTESA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC001320084545 933994541 /nfs/dbraw/zinc/99/45/41/933994541.db2.gz ASQGJHWIEYEMQO-AWEZNQCLSA-N 1 1 283.318 3.065 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](CCSc2ccccc2)C1 ZINC001320157744 934011128 /nfs/dbraw/zinc/01/11/28/934011128.db2.gz ZKWNUZOZBCRAMX-CQSZACIVSA-N 1 1 263.406 3.056 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC001320868527 934115176 /nfs/dbraw/zinc/11/51/76/934115176.db2.gz AIIWHTCHMCBZGC-LLVKDONJSA-N 1 1 273.767 3.184 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2coc(-c3ccc(C)cc3)n2)C1 ZINC001320899197 934119738 /nfs/dbraw/zinc/11/97/38/934119738.db2.gz QOUNMWITEGWJNU-QGZVFWFLSA-N 1 1 298.386 3.427 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2coc(-c3ccc(C)cc3)n2)C1 ZINC001320899197 934119741 /nfs/dbraw/zinc/11/97/41/934119741.db2.gz QOUNMWITEGWJNU-QGZVFWFLSA-N 1 1 298.386 3.427 20 30 CGEDMO C=CCC1(CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)CCCC1 ZINC001470149901 937748421 /nfs/dbraw/zinc/74/84/21/937748421.db2.gz LOJRIUOZEWSPIU-OAHLLOKOSA-N 1 1 295.471 3.151 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)c1cc(Cl)ccc1F ZINC001322198058 934258714 /nfs/dbraw/zinc/25/87/14/934258714.db2.gz ZSZKMWOVPNGJMH-NSHDSACASA-N 1 1 298.789 3.105 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](C)NC(=O)c1ccn(C(C)C)c1C ZINC001322229714 934260506 /nfs/dbraw/zinc/26/05/06/934260506.db2.gz FMZYBTHELNSHDW-CQSZACIVSA-N 1 1 291.439 3.004 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H](C)C[N@H+](C)CCCCCC)C1 ZINC001322243004 934263294 /nfs/dbraw/zinc/26/32/94/934263294.db2.gz APZJTWHLPOUKCN-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H](C)C[N@@H+](C)CC1CC(C)(C)C1 ZINC001322235735 934263539 /nfs/dbraw/zinc/26/35/39/934263539.db2.gz HYXKYUPAFUBFSV-KDOFPFPSSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)c1cccc2[nH]ccc21 ZINC001322247256 934263914 /nfs/dbraw/zinc/26/39/14/934263914.db2.gz DXOLGPCCWIZFCS-AWEZNQCLSA-N 1 1 299.418 3.184 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H](C)C[N@@H+](C)CCC(C)(C)C ZINC001322259590 934265375 /nfs/dbraw/zinc/26/53/75/934265375.db2.gz YUZVGKSWWRXZIZ-CQSZACIVSA-N 1 1 282.472 3.461 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)C1(F)CCCCC1 ZINC001322273156 934269807 /nfs/dbraw/zinc/26/98/07/934269807.db2.gz DRHKTKNODSTJLZ-CQSZACIVSA-N 1 1 284.419 3.062 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)C1(C)C(C)(C)C1(C)C ZINC001322316036 934278400 /nfs/dbraw/zinc/27/84/00/934278400.db2.gz XICTXDSPVGZICU-ZDUSSCGKSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](C[C@@H](OC)c2ccc(Cl)cc2)C1 ZINC001322716264 934331420 /nfs/dbraw/zinc/33/14/20/934331420.db2.gz GUOVLZJJZDWNGI-HZPDHXFCSA-N 1 1 295.810 3.304 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H]1CNC(=O)C1(C)CCC1 ZINC001323277169 934379046 /nfs/dbraw/zinc/37/90/46/934379046.db2.gz KSEFYWDTCKPOCH-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C=C)c1ccccc1 ZINC001323357635 934388600 /nfs/dbraw/zinc/38/86/00/934388600.db2.gz OJAATTJXRCLZRI-QZTJIDSGSA-N 1 1 298.430 3.113 20 30 CGEDMO C=CC[N@@H+](CC1CC1)C1CCN(C(=O)/C(C)=C\CC)CC1 ZINC001323721251 934422349 /nfs/dbraw/zinc/42/23/49/934422349.db2.gz YKEUMEJROMDVDN-UUASQNMZSA-N 1 1 290.451 3.232 20 30 CGEDMO C[C@@]1(C#N)CCC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001323784370 934425463 /nfs/dbraw/zinc/42/54/63/934425463.db2.gz DNZBJBVGBLWOIG-SFHVURJKSA-N 1 1 283.419 3.412 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001323784370 934425469 /nfs/dbraw/zinc/42/54/69/934425469.db2.gz DNZBJBVGBLWOIG-SFHVURJKSA-N 1 1 283.419 3.412 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCCF)C2 ZINC001324557173 934523443 /nfs/dbraw/zinc/52/34/43/934523443.db2.gz PIWKZSVVRVOKKS-KRWDZBQOSA-N 1 1 296.430 3.017 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@]1(C)CC[N@H+](CCCCC)C1 ZINC001324621411 934534178 /nfs/dbraw/zinc/53/41/78/934534178.db2.gz XYGSVLUNGWWUHW-QGZVFWFLSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)CCCCCC)C1 ZINC001324657918 934542870 /nfs/dbraw/zinc/54/28/70/934542870.db2.gz UPOCDCCTZFCPMK-AEFFLSMTSA-N 1 1 292.467 3.197 20 30 CGEDMO Cc1c(Cl)cnc(NCC[N@H+]2CCCC2(C)C)c1C#N ZINC001472804182 937784532 /nfs/dbraw/zinc/78/45/32/937784532.db2.gz SCSCLGZVXXZWHX-UHFFFAOYSA-N 1 1 292.814 3.201 20 30 CGEDMO C#CCC[N@H+](CCC)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001473150989 937794838 /nfs/dbraw/zinc/79/48/38/937794838.db2.gz BLQMXYYASCHUKC-IBGZPJMESA-N 1 1 284.447 3.386 20 30 CGEDMO C=CCOCC[N@H+](C)[C@H]1C[C@H](OCC)C12CCCCC2 ZINC001473199024 937797269 /nfs/dbraw/zinc/79/72/69/937797269.db2.gz ANOUYSKHPIPSAZ-HOTGVXAUSA-N 1 1 281.440 3.249 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC001473335226 937801729 /nfs/dbraw/zinc/80/17/29/937801729.db2.gz YYTBXSJIRBZJSI-ZIAGYGMSSA-N 1 1 282.428 3.282 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCN(C)[C@H](Cc2ccccc2)C1 ZINC001473454451 937807613 /nfs/dbraw/zinc/80/76/13/937807613.db2.gz RLMCHOGCAYUFOW-HXUWFJFHSA-N 1 1 298.474 3.429 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)Cc1cc(C)cc(C)n1 ZINC001473453974 937807794 /nfs/dbraw/zinc/80/77/94/937807794.db2.gz LKJHOVOBRYPYPR-UHFFFAOYSA-N 1 1 264.372 3.334 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1cc(C)cc(C)n1 ZINC001473453974 937807796 /nfs/dbraw/zinc/80/77/96/937807796.db2.gz LKJHOVOBRYPYPR-UHFFFAOYSA-N 1 1 264.372 3.334 20 30 CGEDMO C=CCC(CC=C)C(=O)NC[C@@]1(C)CCC[N@H+](CCC)C1 ZINC001324936838 934874769 /nfs/dbraw/zinc/87/47/69/934874769.db2.gz QJBYWSIXYCRCMQ-GOSISDBHSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C/C(C)=C/CC(=O)NC[C@]1(C)CCC[N@H+](CC(=C)C)C1 ZINC001324956515 934876800 /nfs/dbraw/zinc/87/68/00/934876800.db2.gz CDVPJUTURHZIFC-WHMKARLCSA-N 1 1 290.451 3.303 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@]2(C)CCC[N@H+](CC(C)C)C2)C1 ZINC001324960736 934877081 /nfs/dbraw/zinc/87/70/81/934877081.db2.gz JGQNUFRUWFQEAT-QGZVFWFLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cc(-c3cccs3)on2)C1 ZINC001325224538 934897499 /nfs/dbraw/zinc/89/74/99/934897499.db2.gz ZMJYIVZITCAAIO-CYBMUJFWSA-N 1 1 290.388 3.180 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2cc(-c3cccs3)on2)C1 ZINC001325224538 934897504 /nfs/dbraw/zinc/89/75/04/934897504.db2.gz ZMJYIVZITCAAIO-CYBMUJFWSA-N 1 1 290.388 3.180 20 30 CGEDMO C=CCO[C@H]1CCN(c2[nH+]ccc3c(C)cccc32)C1 ZINC001325966194 934941827 /nfs/dbraw/zinc/94/18/27/934941827.db2.gz WYYILIBLRFNCJY-AWEZNQCLSA-N 1 1 268.360 3.325 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2csc(NCC)n2)C1 ZINC001473627552 937814682 /nfs/dbraw/zinc/81/46/82/937814682.db2.gz MDOBIBSQABCWRN-LBPRGKRZSA-N 1 1 265.426 3.363 20 30 CGEDMO C=CC[N@@H+](Cc1ccc2cnccc2c1)[C@@H](C)COC ZINC001473637985 937815361 /nfs/dbraw/zinc/81/53/61/937815361.db2.gz OUKGLMKGGVUXJY-AWEZNQCLSA-N 1 1 270.376 3.258 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1CC)[C@H](C)COC ZINC001473637584 937815656 /nfs/dbraw/zinc/81/56/56/937815656.db2.gz TZXMPHVTQZAMKY-OAHLLOKOSA-N 1 1 261.409 3.314 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](CC)SC)CC1 ZINC001327115384 935031157 /nfs/dbraw/zinc/03/11/57/935031157.db2.gz QRNWJQNXROWQSM-CABCVRRESA-N 1 1 298.496 3.065 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C[C@H](C)CC)CC1 ZINC001327117202 935031906 /nfs/dbraw/zinc/03/19/06/935031906.db2.gz YLSWRIXHPGSCDW-OCCSQVGLSA-N 1 1 286.847 3.146 20 30 CGEDMO C=CCCC(=O)N(C)CCC[N@@H+](C)CC1CCCCC1 ZINC001327189626 935042202 /nfs/dbraw/zinc/04/22/02/935042202.db2.gz SBTBWWVTIONXMI-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC001327838604 935088455 /nfs/dbraw/zinc/08/84/55/935088455.db2.gz APXOEZOYMZJKCK-APWZRJJASA-N 1 1 299.414 3.090 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](CC[C@H]2CCc3ccccc32)C1 ZINC001327883643 935094338 /nfs/dbraw/zinc/09/43/38/935094338.db2.gz MNEPCKNIADOBNE-SJORKVTESA-N 1 1 271.404 3.383 20 30 CGEDMO C=CC[N@H+](CC)CC1CCN(C(=O)C/C=C(/C)C=C)CC1 ZINC001328578818 935149270 /nfs/dbraw/zinc/14/92/70/935149270.db2.gz QVBUOMPRMGCLLB-PXNMLYILSA-N 1 1 290.451 3.255 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC=CCC1 ZINC001328704383 935160853 /nfs/dbraw/zinc/16/08/53/935160853.db2.gz OUZCRPLNAZFYJH-CABCVRRESA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC=CCC1 ZINC001328704383 935160856 /nfs/dbraw/zinc/16/08/56/935160856.db2.gz OUZCRPLNAZFYJH-CABCVRRESA-N 1 1 296.842 3.018 20 30 CGEDMO C#CC[N@H+](C)C[C@H]1CCCN1C(=O)C[C@H](C)CC(C)(C)C ZINC001328766228 935167663 /nfs/dbraw/zinc/16/76/63/935167663.db2.gz RAPSEQZYYBAMJD-JKSUJKDBSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CC[N@H+](Cc1nc(-c2ccccc2)c[nH]1)C(C)C ZINC001329053329 935182412 /nfs/dbraw/zinc/18/24/12/935182412.db2.gz MECYETLSAYDULJ-UHFFFAOYSA-N 1 1 255.365 3.473 20 30 CGEDMO C=CC[N@@H+](Cc1nc(-c2ccccc2)c[nH]1)C(C)C ZINC001329053329 935182415 /nfs/dbraw/zinc/18/24/15/935182415.db2.gz MECYETLSAYDULJ-UHFFFAOYSA-N 1 1 255.365 3.473 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)c1cccc(C)c1 ZINC001329374933 935211087 /nfs/dbraw/zinc/21/10/87/935211087.db2.gz IZFHSGZCEGKINH-OAHLLOKOSA-N 1 1 274.408 3.011 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)C(C)(C)C1CCC1 ZINC001329501370 935222056 /nfs/dbraw/zinc/22/20/56/935222056.db2.gz QDRVGPBNNARVKH-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)CCc1ccccc1 ZINC001329601978 935233206 /nfs/dbraw/zinc/23/32/06/935233206.db2.gz XIISMVAOJXIEAU-MRXNPFEDSA-N 1 1 288.435 3.022 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CCC2CC2)CC1(C)C ZINC001330231010 935279108 /nfs/dbraw/zinc/27/91/08/935279108.db2.gz VAKNDUKMMFBENK-QAPCUYQASA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)CC[C@@H](C)CC)C[C@@]2(C)C1 ZINC001330539329 935294256 /nfs/dbraw/zinc/29/42/56/935294256.db2.gz UWMHRMVZYIFUKO-RYQLBKOJSA-N 1 1 292.467 3.169 20 30 CGEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)CCCCCC)CCC[C@@H]12 ZINC001332115991 935440997 /nfs/dbraw/zinc/44/09/97/935440997.db2.gz GCNRCZBVMMHGPP-AEFFLSMTSA-N 1 1 290.451 3.093 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1CCC[N@H+](CC/C=C\CC)[C@@H]1C ZINC001332177791 935446192 /nfs/dbraw/zinc/44/61/92/935446192.db2.gz PXRJBFYIXJVWBY-QXUXXFOKSA-N 1 1 290.451 3.115 20 30 CGEDMO C#CC[N@H+](C)CCN(C(=O)C1CCC(C)(C)CC1)C(C)C ZINC001332741369 935486304 /nfs/dbraw/zinc/48/63/04/935486304.db2.gz YJBAPPRAYXQZOV-UHFFFAOYSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)C(F)=C2CCCC2)CC1 ZINC001333324386 935525650 /nfs/dbraw/zinc/52/56/50/935525650.db2.gz PTFPTMVYTHHYOF-UHFFFAOYSA-N 1 1 292.398 3.108 20 30 CGEDMO C=CC[C@H]1[N@@H+](CCCCCNC(C)=O)CCCC1(C)C ZINC001333487753 935540089 /nfs/dbraw/zinc/54/00/89/935540089.db2.gz ZYZVXKNRBQEOGU-MRXNPFEDSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](CN2C[C@@H](c3ccccc3)CC2=O)C1 ZINC001333711320 936058869 /nfs/dbraw/zinc/05/88/69/936058869.db2.gz ZFXPGGFLMCVMSG-WMZOPIPTSA-N 1 1 298.430 3.248 20 30 CGEDMO C[C@@H]1CSCC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC001334193397 936089965 /nfs/dbraw/zinc/08/99/65/936089965.db2.gz HVUJNQFFXLNSGV-HSBZDZAISA-N 1 1 252.427 3.001 20 30 CGEDMO CO[C@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)CC1 ZINC001334768612 936112837 /nfs/dbraw/zinc/11/28/37/936112837.db2.gz GWBAVUCGWPQHAI-HNNXBMFYSA-N 1 1 264.413 3.351 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@@H](OCC=C)C2)c1 ZINC001337727476 936284356 /nfs/dbraw/zinc/28/43/56/936284356.db2.gz AMQXCDUHOHOZKV-QGZVFWFLSA-N 1 1 273.376 3.028 20 30 CGEDMO C[C@@H](Nc1cc(C#N)ccn1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001337832973 936292716 /nfs/dbraw/zinc/29/27/16/936292716.db2.gz RIBGCWCQBUIUFN-UKRRQHHQSA-N 1 1 284.407 3.018 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1csc(COC)n1 ZINC001473857492 937825075 /nfs/dbraw/zinc/82/50/75/937825075.db2.gz UJCXACYCWRLNOC-CYBMUJFWSA-N 1 1 266.410 3.220 20 30 CGEDMO C[C@@]12CSC[C@@H]1C[N@@H+](CC#Cc1cccc(Cl)c1)C2 ZINC001473862130 937825806 /nfs/dbraw/zinc/82/58/06/937825806.db2.gz VVIMEAXVYIUMME-GOEBONIOSA-N 1 1 291.847 3.376 20 30 CGEDMO C#CCOCC[N@@H+]1CC=C(c2cccc(C)c2C)CC1 ZINC001473872235 937826336 /nfs/dbraw/zinc/82/63/36/937826336.db2.gz KPNITUVAXJBXGZ-UHFFFAOYSA-N 1 1 269.388 3.042 20 30 CGEDMO CNc1ccccc1C[N@H+](CCC#N)CCC(C)C ZINC001474340440 937852393 /nfs/dbraw/zinc/85/23/93/937852393.db2.gz ZRFHNPCRLHVLAU-UHFFFAOYSA-N 1 1 259.397 3.490 20 30 CGEDMO CNc1ccccc1C[N@@H+](CCC#N)CCC(C)C ZINC001474340440 937852394 /nfs/dbraw/zinc/85/23/94/937852394.db2.gz ZRFHNPCRLHVLAU-UHFFFAOYSA-N 1 1 259.397 3.490 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC[C@](C(=O)OCC)(C(C)C)C2)cc1 ZINC001474476956 937862149 /nfs/dbraw/zinc/86/21/49/937862149.db2.gz LSESSGHCVGZUHT-LJQANCHMSA-N 1 1 299.414 3.079 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1cc(Br)cnc1F)C(C)(C)C ZINC001474563576 937867353 /nfs/dbraw/zinc/86/73/53/937867353.db2.gz UCVLVPCJJGJOCP-LLVKDONJSA-N 1 1 299.187 3.121 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccc3c(c2)C[C@H](C)O3)C1 ZINC001474647761 937872758 /nfs/dbraw/zinc/87/27/58/937872758.db2.gz SWHWHMBIRUVDOX-KBPBESRZSA-N 1 1 257.377 3.408 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](CC)C(C)C ZINC001479261269 937918538 /nfs/dbraw/zinc/91/85/38/937918538.db2.gz RAJPZKLTCDTHNW-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO CC#CCCCC(=O)N[C@H]1CC[N@H+](CCCCC)[C@@H]1CC ZINC001479640459 937923421 /nfs/dbraw/zinc/92/34/21/937923421.db2.gz MZSIHERSLDEYRG-DLBZAZTESA-N 1 1 292.467 3.339 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)CC)CC(C)(C)C1 ZINC001479743302 937924852 /nfs/dbraw/zinc/92/48/52/937924852.db2.gz UXJKIAIODGFZHF-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)CC)CC(C)(C)C1 ZINC001479743305 937925059 /nfs/dbraw/zinc/92/50/59/937925059.db2.gz UXJKIAIODGFZHF-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@H+](C)CCCNC(=O)[C@@H](C)C(C)(C)C ZINC001479778595 937925704 /nfs/dbraw/zinc/92/57/04/937925704.db2.gz WLTIHZYACWRYQX-CQSZACIVSA-N 1 1 268.445 3.073 20 30 CGEDMO C=C(C)C[N@@H+](CCCNC(=O)C(F)=C1CCCC1)C1CC1 ZINC001479867448 937927980 /nfs/dbraw/zinc/92/79/80/937927980.db2.gz NFSZDNZCPJOALE-UHFFFAOYSA-N 1 1 294.414 3.331 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@H](F)C(C)C)C1 ZINC001479908042 937929262 /nfs/dbraw/zinc/92/92/62/937929262.db2.gz CKGFKEMQUMRHTO-JKSUJKDBSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)C2(CC=C)CCCCC2)C1 ZINC001479972674 937930162 /nfs/dbraw/zinc/93/01/62/937930162.db2.gz VYRLKZOTJQLTOK-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@H]2C=CCCC2)C1 ZINC001480077731 937931572 /nfs/dbraw/zinc/93/15/72/937931572.db2.gz HHVKZVDEIFGNGW-IRXDYDNUSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)CC2(C)CCCC2)C1 ZINC001480252328 937935245 /nfs/dbraw/zinc/93/52/45/937935245.db2.gz JHOBAOHWTDPACV-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C#CCCCC(=O)NC[C@@H]1CCCC[N@@H+]1CC/C=C\CC ZINC001480316137 937936147 /nfs/dbraw/zinc/93/61/47/937936147.db2.gz OITDBNUYLSFOOL-WVRJYTFGSA-N 1 1 290.451 3.117 20 30 CGEDMO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)CCCCC(C)C ZINC001480328575 937936302 /nfs/dbraw/zinc/93/63/02/937936302.db2.gz WLQZJFZHEVHDSJ-KRWDZBQOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001480383666 937938122 /nfs/dbraw/zinc/93/81/22/937938122.db2.gz RZBQATZBJLSSJT-ZBFHGGJFSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)CCC ZINC001480395708 937938283 /nfs/dbraw/zinc/93/82/83/937938283.db2.gz ATFRWFLNMSVWOO-SMLCLMEVSA-N 1 1 292.467 3.214 20 30 CGEDMO C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@@H](CC)C(C)C)C1 ZINC001480737877 937943085 /nfs/dbraw/zinc/94/30/85/937943085.db2.gz AYMPWLARSDHZHH-IAGOWNOFSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]([N@@H+](C)C/C=C\Cl)C1 ZINC001480735188 937943164 /nfs/dbraw/zinc/94/31/64/937943164.db2.gz RCOOEPLFAUJEDR-YHAOYDPOSA-N 1 1 284.831 3.018 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)[C@@H](C)c1ccsc1 ZINC001493021709 937945912 /nfs/dbraw/zinc/94/59/12/937945912.db2.gz LEFYIMQREXBCAM-AWEZNQCLSA-N 1 1 294.464 3.256 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1ccoc1C ZINC001493073855 937946614 /nfs/dbraw/zinc/94/66/14/937946614.db2.gz LEFLCGDGEWXVKY-HIFRSBDPSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)C1(C)CCCC1 ZINC001493126127 937947491 /nfs/dbraw/zinc/94/74/91/937947491.db2.gz RMCOMNHKJFOYQL-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)CCC1(C)CC1 ZINC001493148456 937948164 /nfs/dbraw/zinc/94/81/64/937948164.db2.gz JXLSUDWCPUTIQF-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO CC#CC[N@@H+](CCCNC(=O)C[C@H]1CCC[C@@H]1C)C(C)C ZINC001493859849 937951635 /nfs/dbraw/zinc/95/16/35/937951635.db2.gz ZKRDEKRJQYGILN-DLBZAZTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](CCNC(=O)/C=C(/C)C2CC2)C1 ZINC001493996571 937952850 /nfs/dbraw/zinc/95/28/50/937952850.db2.gz XKGOQXSFSJKBME-KGAUPUERSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](CCNC(=O)C[C@@H]2C=CCCC2)C1 ZINC001494027319 937953093 /nfs/dbraw/zinc/95/30/93/937953093.db2.gz DMIILHMKALJKQI-IAGOWNOFSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H](C[N@H+](C)CCCC)C1 ZINC001494151326 937953540 /nfs/dbraw/zinc/95/35/40/937953540.db2.gz YXKRGHGJOGZMFI-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CC1CCN(C(=O)C2CCC2)CC1 ZINC001494189221 937953632 /nfs/dbraw/zinc/95/36/32/937953632.db2.gz VHIMXJPGMPFCPN-HNNXBMFYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[NH+]1CC(NC(=O)[C@@H](CC)C2CCC(C)CC2)C1 ZINC001494398851 937954518 /nfs/dbraw/zinc/95/45/18/937954518.db2.gz MOMVBNBDADZVDQ-DQPZFDDXSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC(C)(C)C(=O)NC1C[NH+]([C@H](C)c2cccc(C)c2)C1 ZINC001494436613 937954704 /nfs/dbraw/zinc/95/47/04/937954704.db2.gz ZLCDBLDXLHRRFU-CQSZACIVSA-N 1 1 286.419 3.069 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)[C@H]2C[C@@]2(C)C(C)C)C1 ZINC001494473491 937954900 /nfs/dbraw/zinc/95/49/00/937954900.db2.gz QRVQENUDRVBKOC-AEFFLSMTSA-N 1 1 294.483 3.439 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)CC(C)C ZINC001494676255 937955791 /nfs/dbraw/zinc/95/57/91/937955791.db2.gz ZGQPETRBMYZXPB-ULQDDVLXSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H](C)CCCC)C1 ZINC001494891835 937957131 /nfs/dbraw/zinc/95/71/31/937957131.db2.gz LFBWCYNKPRPXOJ-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC(=O)N[C@@H](C)C[N@@H+](C)[C@@H](C)c1cccc(C)c1 ZINC001498239172 937968528 /nfs/dbraw/zinc/96/85/28/937968528.db2.gz LDFQHNXTZRDRSY-HOTGVXAUSA-N 1 1 288.435 3.459 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)c1ccn(C(C)C)c1C ZINC001498366328 937969103 /nfs/dbraw/zinc/96/91/03/937969103.db2.gz PLDMJIVGHQUXNY-CQSZACIVSA-N 1 1 291.439 3.004 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)CCCC ZINC001499500046 937973500 /nfs/dbraw/zinc/97/35/00/937973500.db2.gz MDWXUTLYVNTLCH-ZACQAIPSSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@@]2(CC[N@H+](CC(=C)C)C2)C1 ZINC001499610848 937973968 /nfs/dbraw/zinc/97/39/68/937973968.db2.gz SHVAZLOZDOWARZ-GOSISDBHSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCCC(=O)N(C)C1C[NH+]([C@H](C)c2cccc(C)c2)C1 ZINC001499643023 937974336 /nfs/dbraw/zinc/97/43/36/937974336.db2.gz GLYCBCGNIFNWAI-OAHLLOKOSA-N 1 1 286.419 3.165 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)C(C)C)C[C@H]2C1 ZINC001501232601 937979137 /nfs/dbraw/zinc/97/91/37/937979137.db2.gz KIYQKJSXXPPSBX-VVLHAWIVSA-N 1 1 292.467 3.023 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]2C[N@@H+](CC=C(C)C)C[C@H]21 ZINC001501418070 937979604 /nfs/dbraw/zinc/97/96/04/937979604.db2.gz OXJCTJWWOAPYDS-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)CCC2CCC2)CC1 ZINC001502117226 937981148 /nfs/dbraw/zinc/98/11/48/937981148.db2.gz SQUWUOHZQMVXSS-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)[C@]1(C)CCC[C@@H]1C ZINC001502371171 937982188 /nfs/dbraw/zinc/98/21/88/937982188.db2.gz BVQXUCZGIIXZDH-DOTOQJQBSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)CCC(=O)NCc1ccc2c(c1)C[N@H+](CC1CC1)C2 ZINC001502650501 937982863 /nfs/dbraw/zinc/98/28/63/937982863.db2.gz CLBYQTKLQGDIML-UHFFFAOYSA-N 1 1 298.430 3.385 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2cccs2)C[C@@H]1C ZINC001502900771 937983577 /nfs/dbraw/zinc/98/35/77/937983577.db2.gz VCSMIUPDGSXBNG-UONOGXRCSA-N 1 1 292.448 3.297 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]1C[N@H+](C)C[C@H](F)CC ZINC001505432146 937985243 /nfs/dbraw/zinc/98/52/43/937985243.db2.gz GVCXTEWRNVCHJX-HUUCEWRRSA-N 1 1 284.419 3.014 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)c1cc[nH]c1C(C)C ZINC001505983578 937988364 /nfs/dbraw/zinc/98/83/64/937988364.db2.gz FFBAPPDTGRUFCN-AWEZNQCLSA-N 1 1 291.439 3.154 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)C1CCC(=C)CC1 ZINC001505995057 937988567 /nfs/dbraw/zinc/98/85/67/937988567.db2.gz QOANJNZRNXPGRA-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCCC(=O)NC[C@@H]1CCCCC[N@H+]1CCC=C ZINC001506572661 937990890 /nfs/dbraw/zinc/99/08/90/937990890.db2.gz LRIVDPQMLVRVKQ-INIZCTEOSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)C1(CCF)CC1 ZINC001506569300 937990910 /nfs/dbraw/zinc/99/09/10/937990910.db2.gz GVHQESGTQXQZQR-HNNXBMFYSA-N 1 1 296.430 3.063 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[N@H+](C[C@@H](C)CC(C)C)CC1(C)C ZINC001506733495 937991600 /nfs/dbraw/zinc/99/16/00/937991600.db2.gz ZFXDKHWQWKPXPJ-JKSUJKDBSA-N 1 1 294.483 3.461 20 30 CGEDMO CCC(CC)C[N@@H+](C)C1CCN(C(=O)C#CC(C)C)CC1 ZINC001506957112 937993148 /nfs/dbraw/zinc/99/31/48/937993148.db2.gz DIOYLBCPZFLFLS-UHFFFAOYSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC1(C(=O)N2CCC([N@@H+](C)CCF)CC2)CCCC1 ZINC001506966040 937993208 /nfs/dbraw/zinc/99/32/08/937993208.db2.gz GEJKBGIOTYNNON-UHFFFAOYSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)CC3(C)CC3)CCC[C@@H]12 ZINC001507358908 937995229 /nfs/dbraw/zinc/99/52/29/937995229.db2.gz UGTYNEKFEFBTPN-QAPCUYQASA-N 1 1 290.451 3.256 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CNC(=O)/C=C(\C)CC)CC1 ZINC001508201406 937998453 /nfs/dbraw/zinc/99/84/53/937998453.db2.gz ITSHISYQYDQSRM-FYWRMAATSA-N 1 1 276.424 3.057 20 30 CGEDMO CCCCCCCC(=O)OC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC001517127113 938011123 /nfs/dbraw/zinc/01/11/23/938011123.db2.gz YPVNSHMNCVDSFT-INIZCTEOSA-N 1 1 297.439 3.143 20 30 CGEDMO C=C(CC(C)C)C(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC001527415797 938061520 /nfs/dbraw/zinc/06/15/20/938061520.db2.gz YSRPNPFUCCTOSM-QGZVFWFLSA-N 1 1 286.419 3.104 20 30 CGEDMO C=C(CC(C)C)C(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001527415797 938061521 /nfs/dbraw/zinc/06/15/21/938061521.db2.gz YSRPNPFUCCTOSM-QGZVFWFLSA-N 1 1 286.419 3.104 20 30 CGEDMO C[N@H+]1C[C@@H]2CC[C@@H](Nc3nc(C(C)(C)C)ccc3C#N)[C@H]2C1 ZINC001559303759 938225021 /nfs/dbraw/zinc/22/50/21/938225021.db2.gz GGTNGFJENDFFQI-SOUVJXGZSA-N 1 1 298.434 3.003 20 30 CGEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)CCC2=CCCCC2)c1 ZINC001559488292 938227441 /nfs/dbraw/zinc/22/74/41/938227441.db2.gz CMUQSKYRXDZLAZ-UHFFFAOYSA-N 1 1 296.414 3.429 20 30 CGEDMO CC[N@@H+](C[C@@H](C)C#N)C1CC(OCc2ccccc2)C1 ZINC001559508491 938227888 /nfs/dbraw/zinc/22/78/88/938227888.db2.gz NXHHYSHZKLGXLQ-OOHWJJMZSA-N 1 1 272.392 3.216 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CCC[C@@H](C(=O)NCCCCCC)C1 ZINC001559509082 938228042 /nfs/dbraw/zinc/22/80/42/938228042.db2.gz PMVVBNIAEIMUEQ-DLBZAZTESA-N 1 1 292.467 3.197 20 30 CGEDMO CCCCCCC[N@@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC001559616611 938230927 /nfs/dbraw/zinc/23/09/27/938230927.db2.gz HTJLUQAIOOHCDP-MRXNPFEDSA-N 1 1 274.408 3.130 20 30 CGEDMO CCCCCCC[N@H+]1CCNC(=O)[C@H]1c1ccccc1 ZINC001559616611 938230928 /nfs/dbraw/zinc/23/09/28/938230928.db2.gz HTJLUQAIOOHCDP-MRXNPFEDSA-N 1 1 274.408 3.130 20 30 CGEDMO C#CC[N@H+](CCc1cccc(OC(F)(F)F)c1)CC1CC1 ZINC001559658609 938232063 /nfs/dbraw/zinc/23/20/63/938232063.db2.gz MTKSEJXHOJEEFS-UHFFFAOYSA-N 1 1 297.320 3.473 20 30 CGEDMO CCCCCCCC[NH+]1CCN(c2ncns2)CC1 ZINC001559847016 938237166 /nfs/dbraw/zinc/23/71/66/938237166.db2.gz NIEVCMKIZOHAJC-UHFFFAOYSA-N 1 1 282.457 3.021 20 30 CGEDMO CC(C)[C@@](O)(C[N@H+]1CCC[C@H](CC#N)C1)c1ccccc1 ZINC001559991374 938241172 /nfs/dbraw/zinc/24/11/72/938241172.db2.gz RNPDXKZRYAQOKW-AEFFLSMTSA-N 1 1 286.419 3.156 20 30 CGEDMO N#Cc1cccc([C@H](O)C[N@H+]2CCC[C@@H](C3CCC3)C2)c1 ZINC001560012251 938241599 /nfs/dbraw/zinc/24/15/99/938241599.db2.gz UNTYPXBMSFPDNE-QZTJIDSGSA-N 1 1 284.403 3.104 20 30 CGEDMO C[C@@H]1c2sccc2CC[N@@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001560112965 938244231 /nfs/dbraw/zinc/24/42/31/938244231.db2.gz TYASGQPHQUEBFX-MLGOLLRUSA-N 1 1 298.411 3.272 20 30 CGEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)C(C)(C)C ZINC001560128767 938244573 /nfs/dbraw/zinc/24/45/73/938244573.db2.gz KOOVMRUCWVOSBE-CKEIUWERSA-N 1 1 295.471 3.043 20 30 CGEDMO N#Cc1cccc(OCC[N@@H+](Cc2ccoc2)C2CC2)c1 ZINC001560175641 938246158 /nfs/dbraw/zinc/24/61/58/938246158.db2.gz XYSYYKLUARMTGV-UHFFFAOYSA-N 1 1 282.343 3.195 20 30 CGEDMO C=CCOc1cccc(CNC[C@@H](C)C[NH+]2CCCC2)c1 ZINC001560274820 938250556 /nfs/dbraw/zinc/25/05/56/938250556.db2.gz QMOLETWIYPDMMT-MRXNPFEDSA-N 1 1 288.435 3.073 20 30 CGEDMO C[C@H](CC#N)[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC001560574448 938263794 /nfs/dbraw/zinc/26/37/94/938263794.db2.gz CYYBZDDLESGYHU-CYBMUJFWSA-N 1 1 251.333 3.140 20 30 CGEDMO CC(C)c1ccc(O)c(C[N@@H+](C)CC(C)(C)C#N)c1 ZINC001560849164 938279462 /nfs/dbraw/zinc/27/94/62/938279462.db2.gz QZDFJQIOIGJLCN-UHFFFAOYSA-N 1 1 260.381 3.497 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)cc1 ZINC001560876795 938281264 /nfs/dbraw/zinc/28/12/64/938281264.db2.gz AOTSXFOJORLENM-CQSZACIVSA-N 1 1 287.403 3.078 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cnn(-c3ccccc3C)c2)C1 ZINC001560901385 938282959 /nfs/dbraw/zinc/28/29/59/938282959.db2.gz RJPDSVXREJQGCH-QGZVFWFLSA-N 1 1 293.414 3.416 20 30 CGEDMO C=CCCC(C)(C)NC(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC001564118347 938307817 /nfs/dbraw/zinc/30/78/17/938307817.db2.gz KWVKGVVJOKZXLW-HNNXBMFYSA-N 1 1 295.471 3.295 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(CC)CC)C[C@H]2C1 ZINC001485658793 957827920 /nfs/dbraw/zinc/82/79/20/957827920.db2.gz YHBJUBYTWFRUBN-HRCADAONSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@]2(CCN(C(=O)CCCF)C2)C1 ZINC001569478790 960448615 /nfs/dbraw/zinc/44/86/15/960448615.db2.gz WLIZAEMFXHHXGP-WBVHZDCISA-N 1 1 296.430 3.015 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)CNC(=O)[C@]1(C)CCC(C)=C(C)C1 ZINC001570753654 960457253 /nfs/dbraw/zinc/45/72/53/960457253.db2.gz NJADVKJKPKDUBA-NVXWUHKLSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)CC)C(C)(C)C1 ZINC001570386982 960461197 /nfs/dbraw/zinc/46/11/97/960461197.db2.gz AAVNWSOUZYHQOA-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO CC#CC[N@@H+](C)CCCNC(=O)CCCC1CCCCC1 ZINC001566513941 960559339 /nfs/dbraw/zinc/55/93/39/960559339.db2.gz BVDPEDSXNUOSQX-UHFFFAOYSA-N 1 1 292.467 3.198 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)c1ccccc1CC ZINC001567342180 960595952 /nfs/dbraw/zinc/59/59/52/960595952.db2.gz BNWMPLQHPBVRGK-UHFFFAOYSA-N 1 1 288.435 3.267 20 30 CGEDMO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)CCCCC ZINC001565832951 960840265 /nfs/dbraw/zinc/84/02/65/960840265.db2.gz ISTMWNLKPQWCCR-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)CCCCC ZINC001565832951 960840278 /nfs/dbraw/zinc/84/02/78/960840278.db2.gz ISTMWNLKPQWCCR-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCCC#CC)[C@H]1CC ZINC001566019122 960866163 /nfs/dbraw/zinc/86/61/63/960866163.db2.gz DGKZADSLRUNRHH-DLBZAZTESA-N 1 1 290.451 3.115 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)C1CC2(CCC2)C1 ZINC001566483458 960938335 /nfs/dbraw/zinc/93/83/35/960938335.db2.gz CANKXKJMGQLCTD-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@@H]1CCC ZINC001566468469 960944629 /nfs/dbraw/zinc/94/46/29/960944629.db2.gz BGFQARNOHQCOCH-JKSUJKDBSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)c1ccccc1Cl ZINC001566573272 960966808 /nfs/dbraw/zinc/96/68/08/960966808.db2.gz ZLRWQSAOCUZPID-UHFFFAOYSA-N 1 1 294.826 3.358 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H](NC(=O)C(C)(F)F)C1 ZINC001566614710 960974752 /nfs/dbraw/zinc/97/47/52/960974752.db2.gz JNQOUTOBLPRBCR-CYBMUJFWSA-N 1 1 290.398 3.193 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCCC[N@H+]1CC1=CCCCC1 ZINC001566917592 961054544 /nfs/dbraw/zinc/05/45/44/961054544.db2.gz AKFDQHRYQWBAGV-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H](C)CC ZINC001566921442 961057538 /nfs/dbraw/zinc/05/75/38/961057538.db2.gz MTZXLXLBGVJVRT-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CC)SC ZINC001566920149 961066477 /nfs/dbraw/zinc/06/64/77/961066477.db2.gz NKNLZVNSWNWKFY-HUUCEWRRSA-N 1 1 298.496 3.065 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)C2CC(C)(C)C2)C1 ZINC001567191675 961130519 /nfs/dbraw/zinc/13/05/19/961130519.db2.gz LNFGTZXHKAKMPP-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)CCCCC(C)C)C1 ZINC001567200537 961137677 /nfs/dbraw/zinc/13/76/77/961137677.db2.gz ZLSWNAGCUASVQH-KRWDZBQOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@H]([N@H+](C)C[C@H](F)CC)C2)C1 ZINC001567198363 961142211 /nfs/dbraw/zinc/14/22/11/961142211.db2.gz GVWOHANKOXRXKW-CABCVRRESA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C(F)=C1CCCC1 ZINC001567248340 961156572 /nfs/dbraw/zinc/15/65/72/961156572.db2.gz VJTXMJZDWZMWOP-HNNXBMFYSA-N 1 1 294.414 3.331 20 30 CGEDMO C=C(C)C[N@@H+](C)CCNC(=O)CCC1CCCCCC1 ZINC001567293823 961258597 /nfs/dbraw/zinc/25/85/97/961258597.db2.gz YPXHHMSPTQNSLS-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C=C[C@H](CC(=O)NCC[N@H+](C)CC(C)C)c1ccccc1 ZINC001567320566 961270831 /nfs/dbraw/zinc/27/08/31/961270831.db2.gz WMMVWGNQRRGWAL-MRXNPFEDSA-N 1 1 288.435 3.050 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+]1C[C@H](C)CC(C)C ZINC001567378352 961303929 /nfs/dbraw/zinc/30/39/29/961303929.db2.gz ZYZWLCFKHROGCN-HZPDHXFCSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)CC(C)(C)C=C ZINC001567368116 961311624 /nfs/dbraw/zinc/31/16/24/961311624.db2.gz PWOPIGSMJOBBQC-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CC[N@H+](C[C@H](C)CC)C2)CCC1 ZINC001567411495 961315686 /nfs/dbraw/zinc/31/56/86/961315686.db2.gz JQHLKCXVRMUPGT-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1CC[N@H+](CCCCC)C1 ZINC001567406003 961315998 /nfs/dbraw/zinc/31/59/98/961315998.db2.gz MDWXLFKWTRZWJY-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001567403903 961326065 /nfs/dbraw/zinc/32/60/65/961326065.db2.gz VGPNNIJVDKKEFD-INIZCTEOSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[N@@H+](CCNC(=O)CC1CCCCC1)C1CC1 ZINC001567436618 961340264 /nfs/dbraw/zinc/34/02/64/961340264.db2.gz ANCHRUVWHQVNTP-UHFFFAOYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(CCC)C(=O)C(C)(C)F)C1 ZINC001567677319 961399511 /nfs/dbraw/zinc/39/95/11/961399511.db2.gz FGAHQVIJACSWCI-AWEZNQCLSA-N 1 1 284.419 3.014 20 30 CGEDMO C=CCC1(C(=O)NCC[C@H]2CC[N@H+](CC(C)C)C2)CCC1 ZINC001567707995 961406673 /nfs/dbraw/zinc/40/66/73/961406673.db2.gz KDNJOPZWUPCVKH-INIZCTEOSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)c2ccc(C)o2)C1 ZINC001567770368 961426038 /nfs/dbraw/zinc/42/60/38/961426038.db2.gz BRRMGDMHRAWBKB-ZFWWWQNUSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CC(C)(C)C(=O)NC1C[NH+]([C@@H]2CCCc3ccccc32)C1 ZINC001567802595 961434968 /nfs/dbraw/zinc/43/49/68/961434968.db2.gz POPIRQPBHDZWHQ-QGZVFWFLSA-N 1 1 298.430 3.077 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C(=C)C ZINC001567860492 961441914 /nfs/dbraw/zinc/44/19/14/961441914.db2.gz MXDJWMLIESJZTJ-JYJNAYRXSA-N 1 1 290.451 3.229 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)C2CC2)C1 ZINC001567888296 961458343 /nfs/dbraw/zinc/45/83/43/961458343.db2.gz JEJWWCCQTLLNBV-GDBMZVCRSA-N 1 1 280.456 3.193 20 30 CGEDMO C=C(C)CCC(=O)N(CC)[C@H]1CC[N@@H+](CC[C@@H](C)F)C1 ZINC001567938976 961461751 /nfs/dbraw/zinc/46/17/51/961461751.db2.gz MMUVJOWCIXDLQG-CABCVRRESA-N 1 1 284.419 3.014 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)C[C@H](CC)C(C)C)C1 ZINC001567925848 961462594 /nfs/dbraw/zinc/46/25/94/961462594.db2.gz UXVRDANYCHOWCS-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](F)CC)C1 ZINC001567918632 961464816 /nfs/dbraw/zinc/46/48/16/961464816.db2.gz MDVNZCOYHHIZTE-LSDHHAIUSA-N 1 1 284.419 3.014 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H](C)C(CC)CC)C1 ZINC001567938599 961468225 /nfs/dbraw/zinc/46/82/25/961468225.db2.gz IWMKEAAMJGPNPZ-WBVHZDCISA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C ZINC001568489125 961589920 /nfs/dbraw/zinc/58/99/20/961589920.db2.gz ONKSFOBIOFOGOF-CVEARBPZSA-N 1 1 292.467 3.191 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CCC(C)C)CC[C@@H]21 ZINC001568508119 961607178 /nfs/dbraw/zinc/60/71/78/961607178.db2.gz IZLIJXIRRKXZJL-SJORKVTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001569118954 961694752 /nfs/dbraw/zinc/69/47/52/961694752.db2.gz YBPAXQZFGGOTPK-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)c1ccsc1 ZINC001569138446 961700695 /nfs/dbraw/zinc/70/06/95/961700695.db2.gz UMRJORCMRUYSJV-ZIAGYGMSSA-N 1 1 294.464 3.254 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)c1sccc1Cl ZINC001569360074 961738715 /nfs/dbraw/zinc/73/87/15/961738715.db2.gz SDDSGANFUOXGML-LLVKDONJSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCCC1(C)C ZINC001569386329 961752269 /nfs/dbraw/zinc/75/22/69/961752269.db2.gz MARJAABZIZSHJF-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C1CC1 ZINC001569445053 961765612 /nfs/dbraw/zinc/76/56/12/961765612.db2.gz VJBHPTRHSNIGLH-OIISXLGYSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCCCC(=O)N1CCC([C@H]2CC[N@@H+](CC=C)C2)CC1 ZINC001569434238 961766901 /nfs/dbraw/zinc/76/69/01/961766901.db2.gz IONJLGKOOWMXNB-KRWDZBQOSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[C@@]2(C1)CCC[N@H+](C(C)C)C2 ZINC001569467560 961772757 /nfs/dbraw/zinc/77/27/57/961772757.db2.gz PJPAOGWPCFBVBH-AEFFLSMTSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)CCCCCC)C2)C1 ZINC001569480822 961775141 /nfs/dbraw/zinc/77/51/41/961775141.db2.gz JCBIAVJAGMVFCG-QGZVFWFLSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H](C=C)CC)C2)C1 ZINC001569466563 961775217 /nfs/dbraw/zinc/77/52/17/961775217.db2.gz CHHKIHYIVXCPIQ-FUHWJXTLSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)C2CCC(F)CC2)C1 ZINC001569646394 961812313 /nfs/dbraw/zinc/81/23/13/961812313.db2.gz JFSPRFSCCSOKAG-VMBOVVBDSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCCC(=O)N[C@]1(C)CC[N@@H+](CC2CCCCC2)C1 ZINC001569631450 961814650 /nfs/dbraw/zinc/81/46/50/961814650.db2.gz AOYYFPBTZXNJFS-QGZVFWFLSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](C)C(CC)CC)C1 ZINC001569642769 961815323 /nfs/dbraw/zinc/81/53/23/961815323.db2.gz KVHAPDZTMBOETL-WMLDXEAASA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](C)C2CC2)C1 ZINC001569712444 961833160 /nfs/dbraw/zinc/83/31/60/961833160.db2.gz VWGLPCOWRMPZBP-QAPCUYQASA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC ZINC001569909257 961872078 /nfs/dbraw/zinc/87/20/78/961872078.db2.gz BSAMDMAMKUZGLB-CABCVRRESA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCC ZINC001569913244 961879240 /nfs/dbraw/zinc/87/92/40/961879240.db2.gz PJQSKSUUZSVNQJ-HZPDHXFCSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)/C=C(/C)CC)CC1 ZINC001570174785 961918635 /nfs/dbraw/zinc/91/86/35/961918635.db2.gz JMZFOLYACFLWKP-GAJOTYCWSA-N 1 1 284.831 3.066 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)CCC)CC1 ZINC001570181444 961928294 /nfs/dbraw/zinc/92/82/94/961928294.db2.gz JPUZLWFRGFMTJX-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)[C@H]1CCC(C)(C)C1 ZINC001570207291 961932028 /nfs/dbraw/zinc/93/20/28/961932028.db2.gz LQEZGNXCSFHOAS-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC)C2 ZINC001570271659 961940026 /nfs/dbraw/zinc/94/00/26/961940026.db2.gz LYZHLFZGSNKWGS-SJLPKXTDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](C/C=C/Cl)CC1(C)C ZINC001570393247 961961837 /nfs/dbraw/zinc/96/18/37/961961837.db2.gz FKQQZUGBPMXVFY-VZUFXWRPSA-N 1 1 298.858 3.312 20 30 CGEDMO CC#CCCCC(=O)N[C@@H]1CC[N@H+](CCCCC)[C@H](C)C1 ZINC001570441633 961972617 /nfs/dbraw/zinc/97/26/17/961972617.db2.gz WQVRIEHUEMJGQE-IAGOWNOFSA-N 1 1 292.467 3.339 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC[C@H]1C[N@@H+](C)CC=C(C)C ZINC001570537713 961984800 /nfs/dbraw/zinc/98/48/00/961984800.db2.gz FYHPTDJQUMRMOE-IRXDYDNUSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)c1coc(C)c1 ZINC001570527969 961991099 /nfs/dbraw/zinc/99/10/99/961991099.db2.gz NCHOCINDIPIKKW-INIZCTEOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)c1ccc(C)o1 ZINC001570523256 961991593 /nfs/dbraw/zinc/99/15/93/961991593.db2.gz FGXFPFHWZUWDBP-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1cc2ccccc2o1 ZINC001570545827 961996604 /nfs/dbraw/zinc/99/66/04/961996604.db2.gz YKFMGTXLDIBRGK-HNNXBMFYSA-N 1 1 298.386 3.155 20 30 CGEDMO C=CCCC(=O)NC[C@@H](C)[N@@H+](C)[C@H](C)c1cccc(C)c1 ZINC001570700897 962048555 /nfs/dbraw/zinc/04/85/55/962048555.db2.gz YHLUZRBPKNSQFK-HZPDHXFCSA-N 1 1 288.435 3.459 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)C1(C)CCCCCC1 ZINC001570716424 962054861 /nfs/dbraw/zinc/05/48/61/962054861.db2.gz RZUAEUSKARMIST-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)c1ccc(CF)cc1 ZINC001570753711 962071351 /nfs/dbraw/zinc/07/13/51/962071351.db2.gz ODCSQFALNPXSBQ-AWEZNQCLSA-N 1 1 292.398 3.172 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](CC)SC ZINC001570820342 962089113 /nfs/dbraw/zinc/08/91/13/962089113.db2.gz NLOAFPJCVTXYSI-HUUCEWRRSA-N 1 1 298.496 3.065 20 30 CGEDMO C=CCCCC(=O)NC[C@@H]1CCCCC[N@H+]1CC(=C)Cl ZINC001570825485 962091461 /nfs/dbraw/zinc/09/14/61/962091461.db2.gz TVQLIWUCYBQKRP-HNNXBMFYSA-N 1 1 298.858 3.456 20 30 CGEDMO C=CCCCC(=O)NC[C@@H]1CCCCC[N@@H+]1CC(=C)Cl ZINC001570825485 962091480 /nfs/dbraw/zinc/09/14/80/962091480.db2.gz TVQLIWUCYBQKRP-HNNXBMFYSA-N 1 1 298.858 3.456 20 30 CGEDMO C=CCCCC(=O)NC[C@@H]1CCCCC[N@@H+]1CCCF ZINC001570825107 962096582 /nfs/dbraw/zinc/09/65/82/962096582.db2.gz LZNLWYUJABOUCD-HNNXBMFYSA-N 1 1 284.419 3.063 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1C[N@H+](C[C@H](F)CC)CC1(C)C ZINC001570899143 962106047 /nfs/dbraw/zinc/10/60/47/962106047.db2.gz JNGWXOYIJYYCPE-KGLIPLIRSA-N 1 1 298.446 3.163 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2ccoc2)C(C)(C)C1 ZINC001570889323 962107224 /nfs/dbraw/zinc/10/72/24/962107224.db2.gz VLSMVKFOLYEWRW-UKRRQHHQSA-N 1 1 290.407 3.075 20 30 CGEDMO C=C(C)CCC(=O)N1CCC([N@H+](C)CC2CC(C)C2)CC1 ZINC001571331489 962135712 /nfs/dbraw/zinc/13/57/12/962135712.db2.gz XXAUVWWPRWBLQF-UHFFFAOYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@]12CCC[C@@H]1[N@@H+](CC=C)CC2 ZINC001571500729 962164687 /nfs/dbraw/zinc/16/46/87/962164687.db2.gz HMVGXRJNRCXFBT-FUHWJXTLSA-N 1 1 288.435 3.054 20 30 CGEDMO C=CCCC[N@H+]1CC[C@]2(NC(=O)[C@H](C)CC)CCC[C@H]12 ZINC001571495243 962171769 /nfs/dbraw/zinc/17/17/69/962171769.db2.gz NVHVDUGXCFRHSG-HLLBOEOZSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)c1ccoc1C1CC1)C(C)C ZINC001571614682 962185031 /nfs/dbraw/zinc/18/50/31/962185031.db2.gz PYWYMRGKRXJVCI-UHFFFAOYSA-N 1 1 290.407 3.125 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)[C@@H](C)c1ccco1)C(C)C ZINC001571614286 962186546 /nfs/dbraw/zinc/18/65/46/962186546.db2.gz BUKDATPSHAFKSY-HNNXBMFYSA-N 1 1 292.423 3.128 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CNC(=O)/C(C)=C\CC)CC1 ZINC001571683052 962208388 /nfs/dbraw/zinc/20/83/88/962208388.db2.gz UTFUTICEUIRQDG-NVNXTCNLSA-N 1 1 276.424 3.057 20 30 CGEDMO CC[C@@H]1CC[C@@H](C)[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000124639214 187146934 /nfs/dbraw/zinc/14/69/34/187146934.db2.gz PSEBUTACNHMMSL-CZUORRHYSA-N 1 1 285.391 3.150 20 30 CGEDMO C=CC[C@@H]1CC[C@H]([NH2+]C2CCN(CC(C)C)CC2)C1 ZINC000651674442 398266965 /nfs/dbraw/zinc/26/69/65/398266965.db2.gz PCGUOXIZPXSTCJ-WBVHZDCISA-N 1 1 264.457 3.441 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3ccccn3)C2)c(F)c1 ZINC000590600040 346853905 /nfs/dbraw/zinc/85/39/05/346853905.db2.gz JOQLMWKIZFLLQI-INIZCTEOSA-N 1 1 295.361 3.472 20 30 CGEDMO CCn1ccnc1[C@H](C)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000590778537 346875290 /nfs/dbraw/zinc/87/52/90/346875290.db2.gz ZWRSWASROVGWAI-LRDDRELGSA-N 1 1 280.375 3.113 20 30 CGEDMO CO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)cc2C)C12CCC2 ZINC000590761957 346872379 /nfs/dbraw/zinc/87/23/79/346872379.db2.gz HCYODAIYBPYDMN-IRXDYDNUSA-N 1 1 284.403 3.256 20 30 CGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000591061835 346897066 /nfs/dbraw/zinc/89/70/66/346897066.db2.gz KEERLHKKQNYVLP-CZUORRHYSA-N 1 1 297.402 3.007 20 30 CGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](C2CCC2)C1 ZINC000591061834 346897147 /nfs/dbraw/zinc/89/71/47/346897147.db2.gz KEERLHKKQNYVLP-CJNGLKHVSA-N 1 1 297.402 3.007 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](C3CCC3)C2)c1F ZINC000591063068 346898226 /nfs/dbraw/zinc/89/82/26/346898226.db2.gz IENKPCCCUNTVQO-CQSZACIVSA-N 1 1 258.340 3.319 20 30 CGEDMO CN1CCN(Cc2ccc(C#N)cc2Cl)c2ccc[nH+]c21 ZINC000439438006 529773903 /nfs/dbraw/zinc/77/39/03/529773903.db2.gz KDDYRPQHGDMFAE-UHFFFAOYSA-N 1 1 298.777 3.063 20 30 CGEDMO N#Cc1ccc(C[N@@H+](CCC[C@@H]2CCOC2)C2CC2)cc1 ZINC000592065432 346959462 /nfs/dbraw/zinc/95/94/62/346959462.db2.gz USWBOVZXHSKHBZ-QGZVFWFLSA-N 1 1 284.403 3.339 20 30 CGEDMO Cc1cccc(C2([NH2+]Cc3ccncc3C#N)CCC2)c1 ZINC000592146041 346966854 /nfs/dbraw/zinc/96/68/54/346966854.db2.gz LBOKXAOPOSATOQ-UHFFFAOYSA-N 1 1 277.371 3.431 20 30 CGEDMO C[N@@H+](CCC(C)(C)C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000592145044 346967079 /nfs/dbraw/zinc/96/70/79/346967079.db2.gz UFECIRYMIUREKF-UHFFFAOYSA-N 1 1 298.390 3.476 20 30 CGEDMO N#CC[C@]1(O)CC[N@@H+](CCCc2cccc3ccccc32)C1 ZINC000592151395 346967769 /nfs/dbraw/zinc/96/77/69/346967769.db2.gz ODWICUZBNAKOOO-IBGZPJMESA-N 1 1 294.398 3.123 20 30 CGEDMO N#Cc1cnccc1C[NH+]1CCC(c2ccsc2)CC1 ZINC000592106982 346963537 /nfs/dbraw/zinc/96/35/37/346963537.db2.gz BEVFSBGRRXYLIM-UHFFFAOYSA-N 1 1 283.400 3.394 20 30 CGEDMO Cc1ccccc1C[C@@H](C)[N@@H+](C)Cc1ccncc1C#N ZINC000592116288 346964218 /nfs/dbraw/zinc/96/42/18/346964218.db2.gz HJDUSIJYUCTVAM-OAHLLOKOSA-N 1 1 279.387 3.325 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000592140123 346965706 /nfs/dbraw/zinc/96/57/06/346965706.db2.gz CPFGYOFCJOTPFR-GOSISDBHSA-N 1 1 277.371 3.251 20 30 CGEDMO C[C@@H]1CC2(C[N@H+]1Cc1cc(F)ccc1C#N)CCOCC2 ZINC000592184066 346970412 /nfs/dbraw/zinc/97/04/12/346970412.db2.gz YMMPTGLMURIAAD-CYBMUJFWSA-N 1 1 288.366 3.088 20 30 CGEDMO C[N@@H+](CCCSCC#N)C1CCC(F)(F)CC1 ZINC000347611044 529896547 /nfs/dbraw/zinc/89/65/47/529896547.db2.gz CMRQCZGWFJAZAA-UHFFFAOYSA-N 1 1 262.369 3.143 20 30 CGEDMO COC(=O)[C@@H](CC(C)(C)C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000592526862 346996880 /nfs/dbraw/zinc/99/68/80/346996880.db2.gz RUXWXTKZPRCSRO-MFOWVQHXSA-N 1 1 280.412 3.026 20 30 CGEDMO C[N@@H+](CCc1ccccc1)Cc1ccc(F)c(C#N)c1 ZINC000160889294 529934578 /nfs/dbraw/zinc/93/45/78/529934578.db2.gz CLGSTHJYGYKDDL-UHFFFAOYSA-N 1 1 268.335 3.372 20 30 CGEDMO Cc1ccncc1[C@H](C)[NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593023015 347028574 /nfs/dbraw/zinc/02/85/74/347028574.db2.gz NLHZBBFYLQTZKJ-LBPRGKRZSA-N 1 1 296.330 3.021 20 30 CGEDMO CC[N@@H+](CCC1(C#N)CCCCC1)[C@H]1CCCOC1 ZINC000593071871 347035836 /nfs/dbraw/zinc/03/58/36/347035836.db2.gz VDDZOZAKMGERJT-HNNXBMFYSA-N 1 1 264.413 3.351 20 30 CGEDMO CCn1cc(C[N@@H+](CCC(C)(C)C#N)C(C)C)cn1 ZINC000593083151 347037296 /nfs/dbraw/zinc/03/72/96/347037296.db2.gz YZAUOCUUPXFNNA-UHFFFAOYSA-N 1 1 262.401 3.053 20 30 CGEDMO CCn1cc(C[N@@H+](Cc2ccc(C#N)cc2C)C(C)C)cn1 ZINC000593082269 347037641 /nfs/dbraw/zinc/03/76/41/347037641.db2.gz VBMIUQYELUMEDW-UHFFFAOYSA-N 1 1 296.418 3.494 20 30 CGEDMO C[C@H]1C[N@H+](Cc2ccncc2C#N)CCc2ccc(F)cc21 ZINC000593114514 347041570 /nfs/dbraw/zinc/04/15/70/347041570.db2.gz AIJNECAYBVJQTE-ZDUSSCGKSA-N 1 1 295.361 3.254 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccncc2C#N)CCc2ccc(F)cc21 ZINC000593114514 347041571 /nfs/dbraw/zinc/04/15/71/347041571.db2.gz AIJNECAYBVJQTE-ZDUSSCGKSA-N 1 1 295.361 3.254 20 30 CGEDMO Cc1ccc(CC[N@@H+]2Cc3cccc(C#N)c3C2)cc1 ZINC000593127882 347043835 /nfs/dbraw/zinc/04/38/35/347043835.db2.gz WNJXCMGNZDRPAT-UHFFFAOYSA-N 1 1 262.356 3.425 20 30 CGEDMO Cc1ccc(CC[N@H+]2Cc3cccc(C#N)c3C2)cc1 ZINC000593127882 347043838 /nfs/dbraw/zinc/04/38/38/347043838.db2.gz WNJXCMGNZDRPAT-UHFFFAOYSA-N 1 1 262.356 3.425 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2nc(C#N)cs2)CCc2ccccc21 ZINC000593093066 347038674 /nfs/dbraw/zinc/03/86/74/347038674.db2.gz XMLNCPNDGYPGJW-GFCCVEGCSA-N 1 1 283.400 3.177 20 30 CGEDMO CC(C)C[N@@H+](C)CCCN[C@@H](C)c1ccc(C#N)cc1 ZINC000593181842 347048806 /nfs/dbraw/zinc/04/88/06/347048806.db2.gz KPINJHMRWCVNGZ-HNNXBMFYSA-N 1 1 273.424 3.187 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1nnc(-c2ccc(C)cc2)o1 ZINC000046837909 345044788 /nfs/dbraw/zinc/04/47/88/345044788.db2.gz JYYJDXWFVAXJIX-UHFFFAOYSA-N 1 1 271.364 3.443 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1nnc(-c2ccc(C)cc2)o1 ZINC000046837909 345044794 /nfs/dbraw/zinc/04/47/94/345044794.db2.gz JYYJDXWFVAXJIX-UHFFFAOYSA-N 1 1 271.364 3.443 20 30 CGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc(C#N)cn2)C1 ZINC000053580424 345122684 /nfs/dbraw/zinc/12/26/84/345122684.db2.gz SWXNPWPVWDSOFX-PBHICJAKSA-N 1 1 292.386 3.201 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000052638666 345106881 /nfs/dbraw/zinc/10/68/81/345106881.db2.gz FBMHPSSAFFHWBZ-QWHCGFSZSA-N 1 1 272.175 3.069 20 30 CGEDMO COc1ccc2ccccc2c1C[NH2+]C[C@@H](C)C#N ZINC000054180645 345130067 /nfs/dbraw/zinc/13/00/67/345130067.db2.gz DAURHOFGJRFLMX-LBPRGKRZSA-N 1 1 254.333 3.098 20 30 CGEDMO C=CC[N@H+](CCCc1cnn(C)c1)Cc1cccs1 ZINC000054315777 345132417 /nfs/dbraw/zinc/13/24/17/345132417.db2.gz LHGPSGFLWGTVSK-UHFFFAOYSA-N 1 1 275.421 3.102 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc([N+](=O)[O-])ccc1OC ZINC000061758713 345233352 /nfs/dbraw/zinc/23/33/52/345233352.db2.gz JIMPUVLZTJEJOU-UHFFFAOYSA-N 1 1 264.325 3.001 20 30 CGEDMO C#CC[N@H+](Cc1nnc(-c2ccco2)o1)C1CCCCC1 ZINC000062364476 345238262 /nfs/dbraw/zinc/23/82/62/345238262.db2.gz OWMOZAGPUUPKJJ-UHFFFAOYSA-N 1 1 285.347 3.098 20 30 CGEDMO C#CC[N@@H+](Cc1nnc(-c2ccco2)o1)C1CCCCC1 ZINC000062364476 345238263 /nfs/dbraw/zinc/23/82/63/345238263.db2.gz OWMOZAGPUUPKJJ-UHFFFAOYSA-N 1 1 285.347 3.098 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+](CCC)Cc1ccccc1 ZINC000058876657 345203385 /nfs/dbraw/zinc/20/33/85/345203385.db2.gz ICKWMUDQMJJSDG-UHFFFAOYSA-N 1 1 286.419 3.099 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@@H]1C ZINC000075767141 232175408 /nfs/dbraw/zinc/17/54/08/232175408.db2.gz HWXTWOBNGVSZIL-CHWSQXEVSA-N 1 1 296.374 3.229 20 30 CGEDMO C[C@H](c1cccs1)[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000068766206 345361568 /nfs/dbraw/zinc/36/15/68/345361568.db2.gz YANCGTQKMOMULL-LLVKDONJSA-N 1 1 257.362 3.208 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000076119894 345534727 /nfs/dbraw/zinc/53/47/27/345534727.db2.gz ALVLRYVSILWLHT-INIZCTEOSA-N 1 1 258.409 3.159 20 30 CGEDMO C=CCCN1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000076119894 345534728 /nfs/dbraw/zinc/53/47/28/345534728.db2.gz ALVLRYVSILWLHT-INIZCTEOSA-N 1 1 258.409 3.159 20 30 CGEDMO C=CCCN1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000076119894 345534729 /nfs/dbraw/zinc/53/47/29/345534729.db2.gz ALVLRYVSILWLHT-INIZCTEOSA-N 1 1 258.409 3.159 20 30 CGEDMO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000076149251 345535883 /nfs/dbraw/zinc/53/58/83/345535883.db2.gz ZSAJMYOZBIFSCW-CHWSQXEVSA-N 1 1 296.374 3.229 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCc1ccncc1 ZINC000076153975 345536749 /nfs/dbraw/zinc/53/67/49/345536749.db2.gz AVMCBAVNBSLHDG-RBUKOAKNSA-N 1 1 291.398 3.396 20 30 CGEDMO Cc1ccccc1OCCC[N@@H+](C)C[C@H](C#N)CCC#N ZINC000076547988 345546000 /nfs/dbraw/zinc/54/60/00/345546000.db2.gz WJVQWMPIMKTSEW-INIZCTEOSA-N 1 1 285.391 3.139 20 30 CGEDMO Cc1ccccc1OCCC[N@H+](C)C[C@H](C#N)CCC#N ZINC000076547988 345546003 /nfs/dbraw/zinc/54/60/03/345546003.db2.gz WJVQWMPIMKTSEW-INIZCTEOSA-N 1 1 285.391 3.139 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000076758759 345549395 /nfs/dbraw/zinc/54/93/95/345549395.db2.gz AYXSASMQJDABPM-AWEZNQCLSA-N 1 1 269.348 3.450 20 30 CGEDMO C=CC[N@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000076758759 345549398 /nfs/dbraw/zinc/54/93/98/345549398.db2.gz AYXSASMQJDABPM-AWEZNQCLSA-N 1 1 269.348 3.450 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCCCNc1ncccc1C#N ZINC000076795366 345550442 /nfs/dbraw/zinc/55/04/42/345550442.db2.gz KEICPMFDRXXXPD-CQSZACIVSA-N 1 1 272.396 3.020 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](O)COc1ccccc1C(C)C ZINC000077176928 345558409 /nfs/dbraw/zinc/55/84/09/345558409.db2.gz IWGAKGWSCIAIDR-INIZCTEOSA-N 1 1 291.435 3.448 20 30 CGEDMO C[C@H]1c2ccc(F)cc2CC[N@@H+]1CCCSCC#N ZINC000080629118 345680721 /nfs/dbraw/zinc/68/07/21/345680721.db2.gz WBGVOMGFQLABSW-LBPRGKRZSA-N 1 1 278.396 3.392 20 30 CGEDMO CCn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CCCC#N ZINC000084131836 345729989 /nfs/dbraw/zinc/72/99/89/345729989.db2.gz LLXJGJYHQWOKBT-MRXNPFEDSA-N 1 1 282.391 3.497 20 30 CGEDMO CCn1c2ccccc2nc1[C@H]1CCC[N@H+]1CCCC#N ZINC000084131836 345729990 /nfs/dbraw/zinc/72/99/90/345729990.db2.gz LLXJGJYHQWOKBT-MRXNPFEDSA-N 1 1 282.391 3.497 20 30 CGEDMO C[N@@H+](CC#Cc1cccc(Cl)c1)C1CCC(CO)CC1 ZINC000089924644 345777193 /nfs/dbraw/zinc/77/71/93/345777193.db2.gz WDGCMKHVBIHPFM-UHFFFAOYSA-N 1 1 291.822 3.174 20 30 CGEDMO C=CC[C@H](CC)NC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000623990403 349938442 /nfs/dbraw/zinc/93/84/42/349938442.db2.gz BRDIOSCJRWNTRF-GOEBONIOSA-N 1 1 293.455 3.047 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCNc1ccc2cc(C#N)ccc2n1 ZINC000092890861 345861231 /nfs/dbraw/zinc/86/12/31/345861231.db2.gz YHQXXWLPONHHCD-AWEZNQCLSA-N 1 1 294.402 3.393 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000160790499 232246862 /nfs/dbraw/zinc/24/68/62/232246862.db2.gz KCHAZNHIEMPXKF-LRDDRELGSA-N 1 1 258.340 3.462 20 30 CGEDMO N#Cc1csc(C[N@H+](CCO)[C@@H]2CCc3ccccc32)c1 ZINC000093388126 345876381 /nfs/dbraw/zinc/87/63/81/345876381.db2.gz NZACLVQTBFTGJK-QGZVFWFLSA-N 1 1 298.411 3.102 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H](COCC)C2)cc1 ZINC000093418876 345879051 /nfs/dbraw/zinc/87/90/51/345879051.db2.gz HTJVCFARNJKZID-KRWDZBQOSA-N 1 1 289.419 3.500 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)NC1(c2ccccc2)CCC1 ZINC000121107614 346000955 /nfs/dbraw/zinc/00/09/55/346000955.db2.gz LYXMWKGLZJTLRN-UHFFFAOYSA-N 1 1 286.419 3.080 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000135289981 346087324 /nfs/dbraw/zinc/08/73/24/346087324.db2.gz RFDHNRFSKLDJLG-HOCLYGCPSA-N 1 1 270.376 3.331 20 30 CGEDMO N#Cc1cccc(C[N@@H+](Cc2ccco2)C[C@H]2CCCO2)c1 ZINC000141742251 346109220 /nfs/dbraw/zinc/10/92/20/346109220.db2.gz UPKQABKPQXKZRT-GOSISDBHSA-N 1 1 296.370 3.332 20 30 CGEDMO N#Cc1cccc(C[N@H+](Cc2ccco2)C[C@H]2CCCO2)c1 ZINC000141742251 346109221 /nfs/dbraw/zinc/10/92/21/346109221.db2.gz UPKQABKPQXKZRT-GOSISDBHSA-N 1 1 296.370 3.332 20 30 CGEDMO Cc1occc1C[N@H+](C)Cc1ccc(C#N)cc1C ZINC000165451366 346184873 /nfs/dbraw/zinc/18/48/73/346184873.db2.gz BSVVCWGJENRWRF-UHFFFAOYSA-N 1 1 254.333 3.400 20 30 CGEDMO CCCC[N@@H+]1CCCC[C@@H]1CNCc1cccc(C#N)c1 ZINC000236751665 346342951 /nfs/dbraw/zinc/34/29/51/346342951.db2.gz KDUHAQYZFUZWQU-GOSISDBHSA-N 1 1 285.435 3.302 20 30 CGEDMO CCCC[N@H+]1CCCC[C@@H]1CNCc1cccc(C#N)c1 ZINC000236751665 346342955 /nfs/dbraw/zinc/34/29/55/346342955.db2.gz KDUHAQYZFUZWQU-GOSISDBHSA-N 1 1 285.435 3.302 20 30 CGEDMO Fc1ccc(C#CC[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1 ZINC000289401397 346423464 /nfs/dbraw/zinc/42/34/64/346423464.db2.gz AAAOYROGNZFNMF-QZTJIDSGSA-N 1 1 299.389 3.211 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)cc1 ZINC000289401397 346423470 /nfs/dbraw/zinc/42/34/70/346423470.db2.gz AAAOYROGNZFNMF-QZTJIDSGSA-N 1 1 299.389 3.211 20 30 CGEDMO COc1ccc(C[NH2+]CC2(C#N)CCCC2)cc1F ZINC000593650687 347099120 /nfs/dbraw/zinc/09/91/20/347099120.db2.gz YHYLSQDTICVPRN-UHFFFAOYSA-N 1 1 262.328 3.008 20 30 CGEDMO CCn1cc(C[N@H+](Cc2ccc(C#N)s2)C(C)C)cn1 ZINC000593676959 347102712 /nfs/dbraw/zinc/10/27/12/347102712.db2.gz REUWIAMUJOVQNH-UHFFFAOYSA-N 1 1 288.420 3.247 20 30 CGEDMO CCn1cc(C[N@@H+](Cc2ccc(C#N)s2)C(C)C)cn1 ZINC000593676959 347102716 /nfs/dbraw/zinc/10/27/16/347102716.db2.gz REUWIAMUJOVQNH-UHFFFAOYSA-N 1 1 288.420 3.247 20 30 CGEDMO CC[N@@H+](CCCNCc1ccc(C#N)o1)C1CCCCC1 ZINC000593660142 347101017 /nfs/dbraw/zinc/10/10/17/347101017.db2.gz BEDUWIPGUNSXPA-UHFFFAOYSA-N 1 1 289.423 3.286 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cnccc1C ZINC000352800047 346539816 /nfs/dbraw/zinc/53/98/16/346539816.db2.gz OARPANOQNISKDH-UHFFFAOYSA-N 1 1 286.375 3.054 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cnccc1C ZINC000352800047 346539819 /nfs/dbraw/zinc/53/98/19/346539819.db2.gz OARPANOQNISKDH-UHFFFAOYSA-N 1 1 286.375 3.054 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000397793760 346584872 /nfs/dbraw/zinc/58/48/72/346584872.db2.gz DICBCWGPCZQFQB-CQSZACIVSA-N 1 1 265.360 3.360 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403581902 346597240 /nfs/dbraw/zinc/59/72/40/346597240.db2.gz AWUVPRKOGMMJNR-ZACQAIPSSA-N 1 1 254.377 3.426 20 30 CGEDMO Clc1ccccc1C#CC[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000560182133 346658549 /nfs/dbraw/zinc/65/85/49/346658549.db2.gz GRTNQEOJAVWQJZ-IRXDYDNUSA-N 1 1 289.806 3.335 20 30 CGEDMO Clc1ccccc1C#CC[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000560182133 346658552 /nfs/dbraw/zinc/65/85/52/346658552.db2.gz GRTNQEOJAVWQJZ-IRXDYDNUSA-N 1 1 289.806 3.335 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CCO[C@@H](C)C1 ZINC000491147431 346627479 /nfs/dbraw/zinc/62/74/79/346627479.db2.gz RLHIMFNMTQKFHH-GOEBONIOSA-N 1 1 275.367 3.076 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1 ZINC000589200088 346789671 /nfs/dbraw/zinc/78/96/71/346789671.db2.gz ODRQJSWMKSGJRT-ZIAGYGMSSA-N 1 1 290.432 3.258 20 30 CGEDMO N#Cc1csc(C[N@@H+](C2CC2)C2CCCCC2)n1 ZINC000589496345 346798403 /nfs/dbraw/zinc/79/84/03/346798403.db2.gz QYQOZZFTBRWFHX-UHFFFAOYSA-N 1 1 261.394 3.312 20 30 CGEDMO C/C(=C\c1ccccc1OC(F)F)C[NH2+]C[C@@H](C)C#N ZINC000589511394 346799198 /nfs/dbraw/zinc/79/91/98/346799198.db2.gz HZLMWWSKBFCQSF-VNKGSWCUSA-N 1 1 280.318 3.441 20 30 CGEDMO Cc1ccccc1[C@H]1CC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000593955233 347123269 /nfs/dbraw/zinc/12/32/69/347123269.db2.gz PMSYNNHLXSXICT-INIZCTEOSA-N 1 1 277.371 3.251 20 30 CGEDMO C=CCCC[N@H+](CC(=O)OC(C)(C)C)C1CCC1 ZINC000594051379 347145403 /nfs/dbraw/zinc/14/54/03/347145403.db2.gz KDXWJHVMXLWUMG-UHFFFAOYSA-N 1 1 253.386 3.149 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)cn1)[C@H]1CCCC[C@H]1C ZINC000593976456 347127884 /nfs/dbraw/zinc/12/78/84/347127884.db2.gz PKACHXZRILKDAT-CJNGLKHVSA-N 1 1 257.381 3.354 20 30 CGEDMO CC1CC[NH+](CCNCc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594493914 347177969 /nfs/dbraw/zinc/17/79/69/347177969.db2.gz ATDDKIHJWZKAJP-UHFFFAOYSA-N 1 1 299.462 3.309 20 30 CGEDMO C[C@@H](CNCc1ccc(C(C)(C)C#N)cc1)C[NH+]1CCCC1 ZINC000594496242 347178513 /nfs/dbraw/zinc/17/85/13/347178513.db2.gz XSUVEYXYSFWCGU-INIZCTEOSA-N 1 1 299.462 3.309 20 30 CGEDMO C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1cnccn1 ZINC000594514618 347184877 /nfs/dbraw/zinc/18/48/77/347184877.db2.gz JQCSFBDNHPZOJR-ZDUSSCGKSA-N 1 1 278.359 3.078 20 30 CGEDMO N#CC1(C[NH2+]Cc2c[nH]nc2-c2cccnc2)CCCCC1 ZINC000594995951 347252151 /nfs/dbraw/zinc/25/21/51/347252151.db2.gz VVRCQOAJMPEHKO-UHFFFAOYSA-N 1 1 295.390 3.035 20 30 CGEDMO N#CCC[C@@H]([NH2+]Cc1ccnn1CC1CC1)c1ccccc1 ZINC000594948642 347238762 /nfs/dbraw/zinc/23/87/62/347238762.db2.gz AZPZKOXCPKGKRS-GOSISDBHSA-N 1 1 294.402 3.428 20 30 CGEDMO Cn1cc(C[NH2+]CC2(C#N)CCCCC2)c(C(C)(C)C)n1 ZINC000594981108 347247673 /nfs/dbraw/zinc/24/76/73/347247673.db2.gz GVGFSMSQVOPDET-UHFFFAOYSA-N 1 1 288.439 3.281 20 30 CGEDMO CCCO[C@@H]1CCC[N@@H+](CCc2ccc(C#N)cc2)CC1 ZINC000595313129 347290865 /nfs/dbraw/zinc/29/08/65/347290865.db2.gz SLQNXSZVAFLTAM-GOSISDBHSA-N 1 1 286.419 3.382 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)CCc1ccc(C#N)cc1 ZINC000595328364 347293340 /nfs/dbraw/zinc/29/33/40/347293340.db2.gz IOTMNHRSASHQPJ-UHFFFAOYSA-N 1 1 269.392 3.363 20 30 CGEDMO C[C@H](C#N)C[N@H+](CCc1nsc2ccccc21)C1CC1 ZINC000595390422 347297972 /nfs/dbraw/zinc/29/79/72/347297972.db2.gz WCNVROXVARNDKB-GFCCVEGCSA-N 1 1 285.416 3.463 20 30 CGEDMO C[C@H](C#N)C[N@@H+](CCc1nsc2ccccc21)C1CC1 ZINC000595390422 347297974 /nfs/dbraw/zinc/29/79/74/347297974.db2.gz WCNVROXVARNDKB-GFCCVEGCSA-N 1 1 285.416 3.463 20 30 CGEDMO C[C@@H](C[NH+]1CCC(C)CC1)N[C@@H](C)c1ccc(C#N)cc1 ZINC000595090773 347280689 /nfs/dbraw/zinc/28/06/89/347280689.db2.gz QXYKHBKISQYMMM-HOTGVXAUSA-N 1 1 285.435 3.329 20 30 CGEDMO CCn1cc([C@H](C)[NH2+]CC2(C#N)CCCCC2)cn1 ZINC000595092084 347281064 /nfs/dbraw/zinc/28/10/64/347281064.db2.gz WETCBZIRMIZRME-ZDUSSCGKSA-N 1 1 260.385 3.028 20 30 CGEDMO COc1ccc(OCCC[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000595611949 347326740 /nfs/dbraw/zinc/32/67/40/347326740.db2.gz PWJUEEVLQYIJET-HNNXBMFYSA-N 1 1 288.391 3.090 20 30 CGEDMO N#CCC[C@@H](C#N)C[N@H+]1CCCC2(CCCC2)CC1 ZINC000595643863 347332555 /nfs/dbraw/zinc/33/25/55/347332555.db2.gz ZXPRHUFPDFLHNV-HNNXBMFYSA-N 1 1 259.397 3.476 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cc(C)c(C(=O)OC)o2)C1 ZINC000595660528 347334225 /nfs/dbraw/zinc/33/42/25/347334225.db2.gz UJQVBWTVFWURJX-ZDUSSCGKSA-N 1 1 277.364 3.163 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2ccc(C(=O)OC)c(F)c2)C1 ZINC000595657906 347334563 /nfs/dbraw/zinc/33/45/63/347334563.db2.gz CFTFQUJHPBEELE-ZDUSSCGKSA-N 1 1 291.366 3.400 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+]([C@H](C(=O)OC)c2ccsc2)C1 ZINC000595659810 347334673 /nfs/dbraw/zinc/33/46/73/347334673.db2.gz PLTBGNMCIMSVRR-JSGCOSHPSA-N 1 1 279.405 3.250 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@H](C(=O)OC)c2ccsc2)C1 ZINC000595659810 347334676 /nfs/dbraw/zinc/33/46/76/347334676.db2.gz PLTBGNMCIMSVRR-JSGCOSHPSA-N 1 1 279.405 3.250 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000595661212 347335303 /nfs/dbraw/zinc/33/53/03/347335303.db2.gz XINDSWSPEWICNM-PBHICJAKSA-N 1 1 298.386 3.060 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000595661212 347335306 /nfs/dbraw/zinc/33/53/06/347335306.db2.gz XINDSWSPEWICNM-PBHICJAKSA-N 1 1 298.386 3.060 20 30 CGEDMO C[C@H](CO)[C@H]1CCCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000595675339 347336338 /nfs/dbraw/zinc/33/63/38/347336338.db2.gz MICKSELDOZDPLV-HZPDHXFCSA-N 1 1 278.440 3.333 20 30 CGEDMO N#CCCOCC[N@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000595672790 347336652 /nfs/dbraw/zinc/33/66/52/347336652.db2.gz BUJHTBPNJJXNAP-HNNXBMFYSA-N 1 1 274.364 3.127 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@H](C(=O)OC)[C@H]2CCCC[C@H]21 ZINC000595729758 347347965 /nfs/dbraw/zinc/34/79/65/347347965.db2.gz FSRKPYXAMIHKAK-QLFBSQMISA-N 1 1 265.397 3.006 20 30 CGEDMO COc1ccc2c(c1)CC[N@H+](Cc1ccc(C#N)cc1)C2 ZINC000595760144 347352634 /nfs/dbraw/zinc/35/26/34/347352634.db2.gz RKRPNEKDTCUXFI-UHFFFAOYSA-N 1 1 278.355 3.125 20 30 CGEDMO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](C3CCC3)C2)c1 ZINC000595839552 347364371 /nfs/dbraw/zinc/36/43/71/347364371.db2.gz ZQNZQMGYKYNPHC-MRXNPFEDSA-N 1 1 297.402 3.009 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(C(=O)OC)c1 ZINC000595841884 347365720 /nfs/dbraw/zinc/36/57/20/347365720.db2.gz PAEZNAADNBJUHF-IYBDPMFKSA-N 1 1 271.360 3.156 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000595845035 347367084 /nfs/dbraw/zinc/36/70/84/347367084.db2.gz KQWFHLIHJKKEHX-GASCZTMLSA-N 1 1 283.331 3.149 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C(=O)OC)oc1CC ZINC000595844905 347367339 /nfs/dbraw/zinc/36/73/39/347367339.db2.gz HGJZZOJZXUUUDJ-OKILXGFUSA-N 1 1 289.375 3.312 20 30 CGEDMO Cc1nsc(N[C@H]2CC[N@H+](C3CCCCC3)C2)c1C#N ZINC000596479602 347464850 /nfs/dbraw/zinc/46/48/50/347464850.db2.gz NVCIQUZCGBMJEO-LBPRGKRZSA-N 1 1 290.436 3.142 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc1[N+](=O)[O-] ZINC000597174408 347544244 /nfs/dbraw/zinc/54/42/44/347544244.db2.gz PXLZSZDICJPHNX-ZDUSSCGKSA-N 1 1 273.336 3.029 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1[N+](=O)[O-] ZINC000597174408 347544247 /nfs/dbraw/zinc/54/42/47/347544247.db2.gz PXLZSZDICJPHNX-ZDUSSCGKSA-N 1 1 273.336 3.029 20 30 CGEDMO CS[C@@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597137262 347538946 /nfs/dbraw/zinc/53/89/46/347538946.db2.gz OQRHHIAFWSMKLX-OAHLLOKOSA-N 1 1 272.417 3.179 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000597173298 347543239 /nfs/dbraw/zinc/54/32/39/347543239.db2.gz HZVAHGIOFUQLME-CQSZACIVSA-N 1 1 280.375 3.202 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000597173298 347543244 /nfs/dbraw/zinc/54/32/44/347543244.db2.gz HZVAHGIOFUQLME-CQSZACIVSA-N 1 1 280.375 3.202 20 30 CGEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@](C)(C#N)C1 ZINC000597231700 347559584 /nfs/dbraw/zinc/55/95/84/347559584.db2.gz ZYWJLUMMPSEOCS-IBGZPJMESA-N 1 1 299.462 3.380 20 30 CGEDMO CCC(C#N)(CC)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000599081145 347714926 /nfs/dbraw/zinc/71/49/26/347714926.db2.gz SOOGKJLNRNTTDN-HNNXBMFYSA-N 1 1 293.455 3.087 20 30 CGEDMO C[N@H+](Cc1ccccc1Cl)C[C@@H](O)CC(C)(C)C#N ZINC000598584146 347665997 /nfs/dbraw/zinc/66/59/97/347665997.db2.gz JPNKVALPFXMWKH-ZDUSSCGKSA-N 1 1 280.799 3.073 20 30 CGEDMO C[C@H](c1cccs1)[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598586427 347666534 /nfs/dbraw/zinc/66/65/34/347666534.db2.gz UPXGEFMIPUWWMH-VXGBXAGGSA-N 1 1 266.410 3.042 20 30 CGEDMO C[C@@H](c1ccccc1F)[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598585443 347666540 /nfs/dbraw/zinc/66/65/40/347666540.db2.gz CXKPDUPZDDEGKJ-QWHCGFSZSA-N 1 1 278.371 3.119 20 30 CGEDMO CC[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598593254 347668301 /nfs/dbraw/zinc/66/83/01/347668301.db2.gz RJRAGHPEBVKUFU-DOTOQJQBSA-N 1 1 286.419 3.297 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCCC2(CC2)CC1 ZINC000599672939 347763679 /nfs/dbraw/zinc/76/36/79/347763679.db2.gz KPQLBCYXNSKACD-UHFFFAOYSA-N 1 1 270.376 3.333 20 30 CGEDMO N#CCc1cccc2c1CC[N@@H+](CC[C@@H]1CCCCO1)C2 ZINC000599677536 347763919 /nfs/dbraw/zinc/76/39/19/347763919.db2.gz KYYPGWVTFRCTRS-KRWDZBQOSA-N 1 1 284.403 3.070 20 30 CGEDMO Cc1ccc(C[N@@H+]2CC[C@H](OCC(C)C)C2)cc1C#N ZINC000599310754 347734466 /nfs/dbraw/zinc/73/44/66/347734466.db2.gz BSYRFTLCDTZBMU-KRWDZBQOSA-N 1 1 272.392 3.114 20 30 CGEDMO CC[N@@H+](Cc1ccncc1)Cc1ccc(C)c(C#N)c1 ZINC000599351882 347738458 /nfs/dbraw/zinc/73/84/58/347738458.db2.gz JVRDTQXFLKYCGR-UHFFFAOYSA-N 1 1 265.360 3.284 20 30 CGEDMO C=CCCC[C@H](C)[N@H+](C)Cc1ccc(C(=O)OC)cn1 ZINC000599447308 347746123 /nfs/dbraw/zinc/74/61/23/347746123.db2.gz BNXVFQHWCNGWNP-ZDUSSCGKSA-N 1 1 276.380 3.045 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(C(=O)OC)ccc2F)C1 ZINC000599528771 347751404 /nfs/dbraw/zinc/75/14/04/347751404.db2.gz HHDCGHGGRPMEJS-GFCCVEGCSA-N 1 1 277.339 3.010 20 30 CGEDMO COc1ccc(C[N@H+]2CCCC(F)(F)CC2)cc1C#N ZINC000599552734 347753485 /nfs/dbraw/zinc/75/34/85/347753485.db2.gz NDJLXJXDBTYFFD-UHFFFAOYSA-N 1 1 280.318 3.188 20 30 CGEDMO CC[N@H+](CCC#N)CCc1cccc(C(F)(F)F)c1 ZINC000600112630 347780901 /nfs/dbraw/zinc/78/09/01/347780901.db2.gz SVJRHAGOXSXXGK-UHFFFAOYSA-N 1 1 270.298 3.483 20 30 CGEDMO CC[N@@H+](CCC#N)CCc1cccc(C(F)(F)F)c1 ZINC000600112630 347780904 /nfs/dbraw/zinc/78/09/04/347780904.db2.gz SVJRHAGOXSXXGK-UHFFFAOYSA-N 1 1 270.298 3.483 20 30 CGEDMO CC1(C)[C@@H](c2cccc(F)c2)CC[N@H+]1CCOCCC#N ZINC000599629609 347759431 /nfs/dbraw/zinc/75/94/31/347759431.db2.gz JLJRTYOOCXDRDW-MRXNPFEDSA-N 1 1 290.382 3.324 20 30 CGEDMO N#CCCC[N@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000599636659 347760851 /nfs/dbraw/zinc/76/08/51/347760851.db2.gz ZTICMJSWAZJBTK-UHFFFAOYSA-N 1 1 268.282 3.367 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@H](C(=O)OC)[C@H]2CCC[C@H]21 ZINC000599649171 347761546 /nfs/dbraw/zinc/76/15/46/347761546.db2.gz SBZIOQBUIZQWSW-QLFBSQMISA-N 1 1 265.397 3.006 20 30 CGEDMO C[C@@]1(C[N@H+]2CCc3c(CC#N)cccc3C2)CCCS1 ZINC000600213098 347794233 /nfs/dbraw/zinc/79/42/33/347794233.db2.gz QGZWSMJLTPZJRI-KRWDZBQOSA-N 1 1 286.444 3.396 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000600183730 347790329 /nfs/dbraw/zinc/79/03/29/347790329.db2.gz DSTBTUGAGKRPIA-CYBMUJFWSA-N 1 1 260.337 3.301 20 30 CGEDMO CC1(C)C[C@@H]([NH2+]Cc2ccc(C#N)o2)c2cc(N)ccc2O1 ZINC000600770389 347832914 /nfs/dbraw/zinc/83/29/14/347832914.db2.gz YCQJFHBJNODFOX-OAHLLOKOSA-N 1 1 297.358 3.125 20 30 CGEDMO Cc1cn(Cc2ccc(C#N)cc2OC(F)F)c(C)[nH+]1 ZINC000601079621 347865374 /nfs/dbraw/zinc/86/53/74/347865374.db2.gz DQEJBVLNESKDKG-UHFFFAOYSA-N 1 1 277.274 3.021 20 30 CGEDMO C[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(C#N)c(F)c1 ZINC000602020491 347934278 /nfs/dbraw/zinc/93/42/78/347934278.db2.gz KKQXMHGARSBKDB-WFASDCNBSA-N 1 1 289.398 3.126 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000602430700 347956523 /nfs/dbraw/zinc/95/65/23/347956523.db2.gz OILOALTUQBJMHA-AWEZNQCLSA-N 1 1 270.376 3.421 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000602437689 347957886 /nfs/dbraw/zinc/95/78/86/347957886.db2.gz WZXPZUYRXHQZQK-HNNXBMFYSA-N 1 1 282.391 3.244 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]2c2cccc(F)c2)n1 ZINC000602441782 347959298 /nfs/dbraw/zinc/95/92/98/347959298.db2.gz WBLQCLYFWMHZIT-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2c2cccc(F)c2)n1 ZINC000602441782 347959300 /nfs/dbraw/zinc/95/93/00/347959300.db2.gz WBLQCLYFWMHZIT-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO C[N@@H+](CCC1CCCCC1)Cc1cccc(C#N)n1 ZINC000602465626 347962661 /nfs/dbraw/zinc/96/26/61/347962661.db2.gz SREBKNVWIZHFDO-UHFFFAOYSA-N 1 1 257.381 3.355 20 30 CGEDMO C[C@@H](CCC#N)C[NH+]1CCN(C2CCC(C)CC2)CC1 ZINC000602467619 347963131 /nfs/dbraw/zinc/96/31/31/347963131.db2.gz HJSRYKOJRLKJCH-CGZBRXJRSA-N 1 1 277.456 3.123 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)n1 ZINC000602469292 347964234 /nfs/dbraw/zinc/96/42/34/347964234.db2.gz SJNALPCTIFQJSU-AWEZNQCLSA-N 1 1 281.334 3.082 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000602474325 347965132 /nfs/dbraw/zinc/96/51/32/347965132.db2.gz HAKWKKKHPBQWLC-HZSPNIEDSA-N 1 1 252.427 3.286 20 30 CGEDMO C[C@@H](CCC#N)C[NH2+]CCCN(C)Cc1ccccc1 ZINC000602512662 347973506 /nfs/dbraw/zinc/97/35/06/347973506.db2.gz LPUYLYHDTDAJLQ-INIZCTEOSA-N 1 1 273.424 3.038 20 30 CGEDMO CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](CC2(CC#N)CC2)C1 ZINC000602782566 348028047 /nfs/dbraw/zinc/02/80/47/348028047.db2.gz CZNWXODFBUGOJT-CQSZACIVSA-N 1 1 292.423 3.124 20 30 CGEDMO CCC1(CC)C[N@@H+](Cc2cccc(C#N)n2)CCS1 ZINC000602614945 347994724 /nfs/dbraw/zinc/99/47/24/347994724.db2.gz BQQFYGWFOJMSPO-UHFFFAOYSA-N 1 1 275.421 3.061 20 30 CGEDMO COCC[N@@H+](C[C@H](C)CCC#N)[C@H]1CC[C@H](C)C1 ZINC000602629847 347996964 /nfs/dbraw/zinc/99/69/64/347996964.db2.gz JRQKSCSDOIUNRG-ZNMIVQPWSA-N 1 1 252.402 3.063 20 30 CGEDMO C[C@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602675291 348006583 /nfs/dbraw/zinc/00/65/83/348006583.db2.gz LNDGSKKCQNMQND-WDEREUQCSA-N 1 1 283.297 3.116 20 30 CGEDMO C[C@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1cccc(C#N)n1 ZINC000602675291 348006585 /nfs/dbraw/zinc/00/65/85/348006585.db2.gz LNDGSKKCQNMQND-WDEREUQCSA-N 1 1 283.297 3.116 20 30 CGEDMO CC[N@@H+](CCOc1ccccc1C)Cc1cccc(C#N)n1 ZINC000602696680 348011208 /nfs/dbraw/zinc/01/12/08/348011208.db2.gz FIZLINKCIWYPLI-UHFFFAOYSA-N 1 1 295.386 3.163 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1[C@@H](C)CC[C@H]1C(=O)OC(C)(C)C ZINC000602698197 348012040 /nfs/dbraw/zinc/01/20/40/348012040.db2.gz DOJNRNKHVZQRFX-IHRRRGAJSA-N 1 1 280.412 3.121 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602719854 348017264 /nfs/dbraw/zinc/01/72/64/348017264.db2.gz BEJDXELXPTXCGE-LLVKDONJSA-N 1 1 287.319 3.134 20 30 CGEDMO N#CCc1cccc2c1CC[N@@H+](Cc1cccc(F)c1N)C2 ZINC000602730617 348020480 /nfs/dbraw/zinc/02/04/80/348020480.db2.gz RWZZSQKBGCIBFO-UHFFFAOYSA-N 1 1 295.361 3.032 20 30 CGEDMO N#CCc1cccc2c1CC[N@H+](Cc1cccc(F)c1N)C2 ZINC000602730617 348020482 /nfs/dbraw/zinc/02/04/82/348020482.db2.gz RWZZSQKBGCIBFO-UHFFFAOYSA-N 1 1 295.361 3.032 20 30 CGEDMO N#CCC1(C[N@@H+](Cc2ccccc2F)C2CC2)CC1 ZINC000602761331 348024698 /nfs/dbraw/zinc/02/46/98/348024698.db2.gz XRDYGHVQMVEXJS-UHFFFAOYSA-N 1 1 258.340 3.484 20 30 CGEDMO N#CCC1(C[N@H+](Cc2ccccc2F)C2CC2)CC1 ZINC000602761331 348024701 /nfs/dbraw/zinc/02/47/01/348024701.db2.gz XRDYGHVQMVEXJS-UHFFFAOYSA-N 1 1 258.340 3.484 20 30 CGEDMO CC[N@@H+](C[C@@H]1CCO[C@H]1C)[C@H](C)c1ccc(C#N)cc1 ZINC000602762310 348024706 /nfs/dbraw/zinc/02/47/06/348024706.db2.gz FXJWLPFQJHRLLN-KEYYUXOJSA-N 1 1 272.392 3.366 20 30 CGEDMO CC(C)[C@H](CO)[N@@H+](Cc1ccccc1)CC1(CC#N)CC1 ZINC000602777056 348026931 /nfs/dbraw/zinc/02/69/31/348026931.db2.gz IUKJIHMXSMLSBU-KRWDZBQOSA-N 1 1 286.419 3.199 20 30 CGEDMO COc1ccc(C[C@H](C)C[N@@H+](C)CC2(CC#N)CC2)cc1 ZINC000602796356 348030424 /nfs/dbraw/zinc/03/04/24/348030424.db2.gz FNEDKNUDHYEZQK-HNNXBMFYSA-N 1 1 286.419 3.499 20 30 CGEDMO CC[C@@](C)(O)C[N@@H+](Cc1ccccc1)CC1(CC#N)CC1 ZINC000602815395 348033450 /nfs/dbraw/zinc/03/34/50/348033450.db2.gz KRKJWOWZGQGWQT-QGZVFWFLSA-N 1 1 286.419 3.343 20 30 CGEDMO CC1=Nc2ccccc2C12CC[NH+](CCC#N)CC2 ZINC000602859624 348037377 /nfs/dbraw/zinc/03/73/77/348037377.db2.gz DSPCOIIPQJLQST-UHFFFAOYSA-N 1 1 253.349 3.040 20 30 CGEDMO CC[N@@H+](CCOc1ccccc1OC)CC1(CC#N)CC1 ZINC000602906834 348042510 /nfs/dbraw/zinc/04/25/10/348042510.db2.gz RRWSJARSUSPYMX-UHFFFAOYSA-N 1 1 288.391 3.090 20 30 CGEDMO C[N@@H+](C[C@@H]1CCCCC1(F)F)[C@H]1CCC[C@H]1C#N ZINC000602981933 348051709 /nfs/dbraw/zinc/05/17/09/348051709.db2.gz LOQUWTHSLCXAEV-AVGNSLFASA-N 1 1 256.340 3.436 20 30 CGEDMO C[N@H+](CCc1nsc2ccccc21)[C@@H]1CCC[C@@H]1C#N ZINC000602982391 348052153 /nfs/dbraw/zinc/05/21/53/348052153.db2.gz RWESRINYTQBLTK-IUODEOHRSA-N 1 1 285.416 3.463 20 30 CGEDMO C[N@@H+](CCc1nsc2ccccc21)[C@@H]1CCC[C@@H]1C#N ZINC000602982391 348052157 /nfs/dbraw/zinc/05/21/57/348052157.db2.gz RWESRINYTQBLTK-IUODEOHRSA-N 1 1 285.416 3.463 20 30 CGEDMO N#CCC1(C[NH2+][C@@H](CF)c2ccc(F)cc2)CC1 ZINC000603019774 348054568 /nfs/dbraw/zinc/05/45/68/348054568.db2.gz MSIYNNLRHOUYTE-ZDUSSCGKSA-N 1 1 250.292 3.120 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H](C(C)C)CC1 ZINC000604055209 348108809 /nfs/dbraw/zinc/10/88/09/348108809.db2.gz VFINHNDBBJLXHR-MRXNPFEDSA-N 1 1 280.456 3.169 20 30 CGEDMO COCC[N@@H+](CCCC#N)Cc1ccc(C)cc1C ZINC000604493473 348121658 /nfs/dbraw/zinc/12/16/58/348121658.db2.gz VHAZOYMWPIWFSD-UHFFFAOYSA-N 1 1 260.381 3.056 20 30 CGEDMO COc1cc(C[NH2+]Cc2ccc(SC)o2)ccc1C#N ZINC000603429919 348082731 /nfs/dbraw/zinc/08/27/31/348082731.db2.gz UXFHUHLWNYXDIG-UHFFFAOYSA-N 1 1 288.372 3.172 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)CC1(C)COC1 ZINC000605434555 348155196 /nfs/dbraw/zinc/15/51/96/348155196.db2.gz ZKMRDOAMBAOUDL-UHFFFAOYSA-N 1 1 271.813 3.426 20 30 CGEDMO C=CCCC[N@H+](C)CCOCc1ccc(OC)cc1 ZINC000605737611 348167569 /nfs/dbraw/zinc/16/75/69/348167569.db2.gz LFWOLVIWOVJLDP-UHFFFAOYSA-N 1 1 263.381 3.110 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@@H]1[C@H](C)CC ZINC000606434331 348182509 /nfs/dbraw/zinc/18/25/09/348182509.db2.gz UTTCQNAJRJNJKE-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO CC#CC[N@@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000607728177 348257897 /nfs/dbraw/zinc/25/78/97/348257897.db2.gz NGTRLBNAYCYJQX-IRXDYDNUSA-N 1 1 257.377 3.109 20 30 CGEDMO CC#CC[N@@H+](C)CCCOc1cccc(Cl)c1 ZINC000607724168 348258086 /nfs/dbraw/zinc/25/80/86/348258086.db2.gz QQQXDRGJTALTRX-UHFFFAOYSA-N 1 1 251.757 3.064 20 30 CGEDMO CCC[C@@H](C#N)NC(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000608816248 348329561 /nfs/dbraw/zinc/32/95/61/348329561.db2.gz KFOOVPOPSGTZMA-INIZCTEOSA-N 1 1 299.418 3.093 20 30 CGEDMO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000610993705 348416149 /nfs/dbraw/zinc/41/61/49/348416149.db2.gz CORUGDGXNZLJHM-KRWDZBQOSA-N 1 1 280.375 3.019 20 30 CGEDMO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610993705 348416153 /nfs/dbraw/zinc/41/61/53/348416153.db2.gz CORUGDGXNZLJHM-KRWDZBQOSA-N 1 1 280.375 3.019 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)o1 ZINC000611265480 348433589 /nfs/dbraw/zinc/43/35/89/348433589.db2.gz VXSSEKNFFGHJRF-INIZCTEOSA-N 1 1 268.316 3.194 20 30 CGEDMO CC[N@@H+](Cc1c[nH]nc1-c1cccc(OC)c1)C[C@@H](C)C#N ZINC000611261124 348433636 /nfs/dbraw/zinc/43/36/36/348433636.db2.gz WUKJGKSQNIBJNS-ZDUSSCGKSA-N 1 1 298.390 3.067 20 30 CGEDMO CC[N@H+](Cc1c[nH]nc1-c1cccc(OC)c1)C[C@@H](C)C#N ZINC000611261124 348433637 /nfs/dbraw/zinc/43/36/37/348433637.db2.gz WUKJGKSQNIBJNS-ZDUSSCGKSA-N 1 1 298.390 3.067 20 30 CGEDMO Cc1ccncc1[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC000611293170 348435800 /nfs/dbraw/zinc/43/58/00/348435800.db2.gz VPAOWLUUUZJXGC-CYBMUJFWSA-N 1 1 251.333 3.113 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[N@H+]2CCC[C@H]2C)c1C#N ZINC000611348135 348440329 /nfs/dbraw/zinc/44/03/29/348440329.db2.gz PUOSKWBDDUFNEO-CYBMUJFWSA-N 1 1 280.375 3.037 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[N@@H+]2CCC[C@H]2C)c1C#N ZINC000611348135 348440331 /nfs/dbraw/zinc/44/03/31/348440331.db2.gz PUOSKWBDDUFNEO-CYBMUJFWSA-N 1 1 280.375 3.037 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000611394549 348446393 /nfs/dbraw/zinc/44/63/93/348446393.db2.gz POVCYHQHROMIPR-DLBZAZTESA-N 1 1 292.386 3.326 20 30 CGEDMO CCC[C@@H](C[N@@H+](CCC#N)CCOC)c1ccccc1 ZINC000611413654 348449400 /nfs/dbraw/zinc/44/94/00/348449400.db2.gz KEKMXQOMRMBFAZ-KRWDZBQOSA-N 1 1 274.408 3.432 20 30 CGEDMO CCC[C@@H](C[N@H+](CCC#N)CCOC)c1ccccc1 ZINC000611413654 348449406 /nfs/dbraw/zinc/44/94/06/348449406.db2.gz KEKMXQOMRMBFAZ-KRWDZBQOSA-N 1 1 274.408 3.432 20 30 CGEDMO C=CC[N@H+](Cc1ccc(O)cc1)Cc1cccc(C#N)c1 ZINC000611526565 348458972 /nfs/dbraw/zinc/45/89/72/348458972.db2.gz UQVSSIADXLYTBF-UHFFFAOYSA-N 1 1 278.355 3.452 20 30 CGEDMO Cc1ccccc1-c1noc(C[NH+]2CCC(CC#N)CC2)n1 ZINC000611688946 348467510 /nfs/dbraw/zinc/46/75/10/348467510.db2.gz HEHUCRSJPAZHGU-UHFFFAOYSA-N 1 1 296.374 3.171 20 30 CGEDMO Cc1c(Cl)cnc(N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1C#N ZINC000612085564 348492428 /nfs/dbraw/zinc/49/24/28/348492428.db2.gz XJQAESHFOIWPHK-IINYFYTJSA-N 1 1 292.814 3.056 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](CCCCOc2ccccc2)C1 ZINC000612164279 348498333 /nfs/dbraw/zinc/49/83/33/348498333.db2.gz CRIVFDQMGDNSLR-KRWDZBQOSA-N 1 1 272.392 3.471 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000612162106 348498634 /nfs/dbraw/zinc/49/86/34/348498634.db2.gz KHTGGAZTQKREGK-HZPDHXFCSA-N 1 1 258.340 3.439 20 30 CGEDMO C[C@]1(C#N)CCC[N@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000612162106 348498637 /nfs/dbraw/zinc/49/86/37/348498637.db2.gz KHTGGAZTQKREGK-HZPDHXFCSA-N 1 1 258.340 3.439 20 30 CGEDMO CCC[N@H+]1CC[C@H](CNc2ncc(Cl)c(C)c2C#N)C1 ZINC000273424375 192145498 /nfs/dbraw/zinc/14/54/98/192145498.db2.gz ZLGMWGQAVKNUSO-GFCCVEGCSA-N 1 1 292.814 3.059 20 30 CGEDMO C[C@]1(C#N)CCC[N@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000612405772 348516609 /nfs/dbraw/zinc/51/66/09/348516609.db2.gz CNTPFGRJYIPYIU-OAHLLOKOSA-N 1 1 286.404 3.059 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000612405772 348516612 /nfs/dbraw/zinc/51/66/12/348516612.db2.gz CNTPFGRJYIPYIU-OAHLLOKOSA-N 1 1 286.404 3.059 20 30 CGEDMO C[C@]1(C#N)CCC[N@H+](Cc2nccc3ccccc32)C1 ZINC000612406810 348517423 /nfs/dbraw/zinc/51/74/23/348517423.db2.gz UNGPYTDYPBBVKK-QGZVFWFLSA-N 1 1 265.360 3.360 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](Cc2nccc3ccccc32)C1 ZINC000612406810 348517425 /nfs/dbraw/zinc/51/74/25/348517425.db2.gz UNGPYTDYPBBVKK-QGZVFWFLSA-N 1 1 265.360 3.360 20 30 CGEDMO CC(C)c1ccc(C[NH2+]CC(C)(C)C#N)cc1[N+](=O)[O-] ZINC000612585207 348530695 /nfs/dbraw/zinc/53/06/95/348530695.db2.gz RJLKASBXOWYFJP-UHFFFAOYSA-N 1 1 275.352 3.358 20 30 CGEDMO CC(C)C[C@@H](CO)[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614211667 348658043 /nfs/dbraw/zinc/65/80/43/348658043.db2.gz DOYMJPBQUVYHNR-KRWDZBQOSA-N 1 1 288.435 3.327 20 30 CGEDMO C=CCCNC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000617615632 348984302 /nfs/dbraw/zinc/98/43/02/348984302.db2.gz VGLBPTCJPNFPPT-UHFFFAOYSA-N 1 1 274.408 3.223 20 30 CGEDMO Cc1cncc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)c1 ZINC000358561260 233155270 /nfs/dbraw/zinc/15/52/70/233155270.db2.gz GDKCXBXDQPESOL-GFCCVEGCSA-N 1 1 269.323 3.252 20 30 CGEDMO C[N@H+](Cc1ccnc(C#N)c1)Cc1ccc(F)c(Cl)c1 ZINC000617891606 349022064 /nfs/dbraw/zinc/02/20/64/349022064.db2.gz WRNXBCRRPFFXHF-UHFFFAOYSA-N 1 1 289.741 3.378 20 30 CGEDMO C[N@@H+](Cc1ccnc(C#N)c1)Cc1ccc(F)c(Cl)c1 ZINC000617891606 349022066 /nfs/dbraw/zinc/02/20/66/349022066.db2.gz WRNXBCRRPFFXHF-UHFFFAOYSA-N 1 1 289.741 3.378 20 30 CGEDMO Cc1cc(C[N@H+]2CC[C@H](c3ccco3)C2)ccc1C#N ZINC000618593780 349115923 /nfs/dbraw/zinc/11/59/23/349115923.db2.gz QJWFFWDSEIVHTK-INIZCTEOSA-N 1 1 266.344 3.449 20 30 CGEDMO Cc1cc(C[NH+]2CC3(C2)CC(F)(F)C3)ccc1C#N ZINC000618752711 349152744 /nfs/dbraw/zinc/15/27/44/349152744.db2.gz UOZFJHBXUZHESO-UHFFFAOYSA-N 1 1 262.303 3.098 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000618887713 349175577 /nfs/dbraw/zinc/17/55/77/349175577.db2.gz FLNFDYFQVWSCQT-KEYYUXOJSA-N 1 1 272.392 3.250 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@@H](c2cncc(F)c2)C2CC2)c(F)c1 ZINC000619611136 349263045 /nfs/dbraw/zinc/26/30/45/349263045.db2.gz OLRLIWJZSQNZHR-QGZVFWFLSA-N 1 1 299.324 3.472 20 30 CGEDMO CC[N@@H+](CCCC1(C#N)CCOCC1)CCC(F)(F)F ZINC000619620323 349263108 /nfs/dbraw/zinc/26/31/08/349263108.db2.gz VWDAZENYVHCYEH-UHFFFAOYSA-N 1 1 292.345 3.361 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1 ZINC000625658926 350193981 /nfs/dbraw/zinc/19/39/81/350193981.db2.gz MURRAGYCOKSFHP-HUUCEWRRSA-N 1 1 295.373 3.471 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000625700626 350198108 /nfs/dbraw/zinc/19/81/08/350198108.db2.gz DDXORNJMMLTBJL-CZUORRHYSA-N 1 1 279.811 3.141 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@H]2CCN(C3CCCCC3)C2=O)C1 ZINC000625535957 350182558 /nfs/dbraw/zinc/18/25/58/350182558.db2.gz YAUITCWTTZPRMC-RDJZCZTQSA-N 1 1 290.451 3.208 20 30 CGEDMO CC1(CC(F)(F)F)C[NH+](Cc2cccc(C#N)c2)C1 ZINC000459643104 535115154 /nfs/dbraw/zinc/11/51/54/535115154.db2.gz UJSHWIQYYFZHPI-UHFFFAOYSA-N 1 1 268.282 3.333 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCCC2(CC2)CC1 ZINC000626114157 350264189 /nfs/dbraw/zinc/26/41/89/350264189.db2.gz VJHZCIRFPOVZJS-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(F)c(F)c1N(C)C ZINC000628234491 350454968 /nfs/dbraw/zinc/45/49/68/350454968.db2.gz CKHJQIGYYHQFSR-UHFFFAOYSA-N 1 1 254.324 3.039 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccccc2-c2ccnn2C)C1 ZINC000628406753 350529467 /nfs/dbraw/zinc/52/94/67/350529467.db2.gz PZDNKHDRKLRYFU-OAHLLOKOSA-N 1 1 281.403 3.485 20 30 CGEDMO C=CC(C)(C)CC[NH2+][C@H](Cc1ccccc1)[C@H](C)N ZINC000629509672 350698754 /nfs/dbraw/zinc/69/87/54/350698754.db2.gz HBSRSSKMZZPHCY-GOEBONIOSA-N 1 1 260.425 3.137 20 30 CGEDMO C=CC(C)(C)CC[NH2+][C@@H](Cc1ccccc1)[C@@H](C)N ZINC000629509674 350699122 /nfs/dbraw/zinc/69/91/22/350699122.db2.gz HBSRSSKMZZPHCY-ZBFHGGJFSA-N 1 1 260.425 3.137 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)C1 ZINC000631544963 351063482 /nfs/dbraw/zinc/06/34/82/351063482.db2.gz WVPQRNKHQKFJQS-QGZVFWFLSA-N 1 1 298.430 3.076 20 30 CGEDMO COc1cc(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)ccc1C#N ZINC000291712589 198067813 /nfs/dbraw/zinc/06/78/13/198067813.db2.gz ZZXYWPNXLSCIKV-KRWDZBQOSA-N 1 1 282.387 3.331 20 30 CGEDMO CCC[N@@H+](Cc1ccn(C)c1)Cc1ccc(C#N)cc1 ZINC000119256419 370659874 /nfs/dbraw/zinc/65/98/74/370659874.db2.gz VBCNBNHIBGXWQT-UHFFFAOYSA-N 1 1 267.376 3.309 20 30 CGEDMO COC[C@@H]1CCCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000364364029 234036657 /nfs/dbraw/zinc/03/66/57/234036657.db2.gz YMAQBDQPAGZDEZ-CYBMUJFWSA-N 1 1 292.810 3.460 20 30 CGEDMO C=C(Cl)C[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000271503174 191178552 /nfs/dbraw/zinc/17/85/52/191178552.db2.gz NLTWLLXAVMYGLS-SNVBAGLBSA-N 1 1 282.771 3.057 20 30 CGEDMO C=CC[N@H+](Cc1cnc([C@H]2CCCO2)s1)C1CC1 ZINC000273498658 192176079 /nfs/dbraw/zinc/17/60/79/192176079.db2.gz OVSOVXLDQCZEAB-CYBMUJFWSA-N 1 1 264.394 3.145 20 30 CGEDMO C=CC[N@@H+](Cc1cnc([C@H]2CCCO2)s1)C1CC1 ZINC000273498658 192176081 /nfs/dbraw/zinc/17/60/81/192176081.db2.gz OVSOVXLDQCZEAB-CYBMUJFWSA-N 1 1 264.394 3.145 20 30 CGEDMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCC(C)(C)C#N ZINC000157439993 188317916 /nfs/dbraw/zinc/31/79/16/188317916.db2.gz IVBSQVRMFCAPMA-AWEZNQCLSA-N 1 1 297.406 3.200 20 30 CGEDMO Cc1c(C#N)cccc1NC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000412205211 235138148 /nfs/dbraw/zinc/13/81/48/235138148.db2.gz YBTCQXUFSLUABP-MBNYWOFBSA-N 1 1 285.391 3.067 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCc3ccccc3C2)s1 ZINC000154445239 283143280 /nfs/dbraw/zinc/14/32/80/283143280.db2.gz ARSHGKGLEGFVQS-UHFFFAOYSA-N 1 1 254.358 3.178 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCc3ccccc3C2)s1 ZINC000154445239 283143281 /nfs/dbraw/zinc/14/32/81/283143281.db2.gz ARSHGKGLEGFVQS-UHFFFAOYSA-N 1 1 254.358 3.178 20 30 CGEDMO C#CCC[N@H+](C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273520278 192184187 /nfs/dbraw/zinc/18/41/87/192184187.db2.gz PWDTUXHDJYJDPX-JKSUJKDBSA-N 1 1 261.340 3.001 20 30 CGEDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)CC1(C)C ZINC000273580771 192214227 /nfs/dbraw/zinc/21/42/27/192214227.db2.gz DSKWDSFYQXGRJX-AWEZNQCLSA-N 1 1 299.418 3.255 20 30 CGEDMO COc1ccccc1CC[N@@H+](C)Cc1ccc(C#N)cc1F ZINC000104709810 138350707 /nfs/dbraw/zinc/35/07/07/138350707.db2.gz ABFAYRSBNKCQBZ-UHFFFAOYSA-N 1 1 298.361 3.380 20 30 CGEDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccccc1C#N ZINC000124224982 138373994 /nfs/dbraw/zinc/37/39/94/138373994.db2.gz QJUUGVVLUXMEMI-WMLDXEAASA-N 1 1 272.392 3.074 20 30 CGEDMO C[C@@H](C1CC1)[N@@H+](CCOc1ccccc1C#N)C1CC1 ZINC000125684197 138384134 /nfs/dbraw/zinc/38/41/34/138384134.db2.gz ZMYUIHLLSHJMPE-ZDUSSCGKSA-N 1 1 270.376 3.200 20 30 CGEDMO Cc1cc(SCC[N@H+](C)Cc2ccccc2)c(C#N)cn1 ZINC000425264501 236224627 /nfs/dbraw/zinc/22/46/27/236224627.db2.gz WZCZVRCFCCDDCW-UHFFFAOYSA-N 1 1 297.427 3.486 20 30 CGEDMO CN(C)CC[C@@H]([NH2+]Cc1ccc(C#N)s1)C(C)(C)C ZINC000176971246 189017386 /nfs/dbraw/zinc/01/73/86/189017386.db2.gz WIQFHPSVEPKUMW-CQSZACIVSA-N 1 1 279.453 3.076 20 30 CGEDMO CC[N@H+](C)Cc1cccc(CNCc2ccc(C#N)s2)c1 ZINC000176963209 189017732 /nfs/dbraw/zinc/01/77/32/189017732.db2.gz KJPPQESHZDVMTR-UHFFFAOYSA-N 1 1 299.443 3.361 20 30 CGEDMO CC[N@@H+](C)Cc1cccc(CNCc2ccc(C#N)s2)c1 ZINC000176963209 189017733 /nfs/dbraw/zinc/01/77/33/189017733.db2.gz KJPPQESHZDVMTR-UHFFFAOYSA-N 1 1 299.443 3.361 20 30 CGEDMO CCc1ccc([C@@H](COC)[NH2+]Cc2ccc(C#N)s2)o1 ZINC000176975752 189018113 /nfs/dbraw/zinc/01/81/13/189018113.db2.gz RZBAHOYGKHGQNZ-CQSZACIVSA-N 1 1 290.388 3.252 20 30 CGEDMO C=CC[NH+]1CCC(N[C@H](C)c2cc(F)cc(F)c2)CC1 ZINC000177909468 189078680 /nfs/dbraw/zinc/07/86/80/189078680.db2.gz YEWRHBPFNSINIQ-GFCCVEGCSA-N 1 1 280.362 3.266 20 30 CGEDMO C[N@H+]1CCC[C@H]1CCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000179412615 189192171 /nfs/dbraw/zinc/19/21/71/189192171.db2.gz YFOWXVDVMOPSPZ-KRWDZBQOSA-N 1 1 283.419 3.007 20 30 CGEDMO CC[N@@H+](CCc1nccs1)Cc1ccc(C#N)s1 ZINC000180027838 189233471 /nfs/dbraw/zinc/23/34/71/189233471.db2.gz XSYJYGIRRLUMCF-UHFFFAOYSA-N 1 1 277.418 3.141 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](Cc2ccc(C#N)s2)CCS1 ZINC000180245879 189246524 /nfs/dbraw/zinc/24/65/24/189246524.db2.gz RCWVPRPZSZCTDO-CYBMUJFWSA-N 1 1 266.435 3.193 20 30 CGEDMO CC(C)[N@@H+]1CCC[C@@H](CN[C@@H](C)c2cccc(C#N)c2)C1 ZINC000181699973 189304464 /nfs/dbraw/zinc/30/44/64/189304464.db2.gz WEEFCDIVKYVRKZ-RDJZCZTQSA-N 1 1 285.435 3.329 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H](CN[C@@H](C)c2cccc(C#N)c2)C1 ZINC000181699973 189304465 /nfs/dbraw/zinc/30/44/65/189304465.db2.gz WEEFCDIVKYVRKZ-RDJZCZTQSA-N 1 1 285.435 3.329 20 30 CGEDMO CC[N@@H+]1CCCC[C@H]1CN[C@@H](C)c1cccc(C#N)c1 ZINC000181735075 189305382 /nfs/dbraw/zinc/30/53/82/189305382.db2.gz OINWPOJJBWXJKV-YOEHRIQHSA-N 1 1 271.408 3.083 20 30 CGEDMO CC[N@H+]1CCCC[C@H]1CN[C@@H](C)c1cccc(C#N)c1 ZINC000181735075 189305383 /nfs/dbraw/zinc/30/53/83/189305383.db2.gz OINWPOJJBWXJKV-YOEHRIQHSA-N 1 1 271.408 3.083 20 30 CGEDMO CC[N@@H+]1CCCC[C@@H]1CN[C@@H](C)c1cccc(C#N)c1 ZINC000181735051 189305525 /nfs/dbraw/zinc/30/55/25/189305525.db2.gz OINWPOJJBWXJKV-WMLDXEAASA-N 1 1 271.408 3.083 20 30 CGEDMO CC[N@H+]1CCCC[C@@H]1CN[C@@H](C)c1cccc(C#N)c1 ZINC000181735051 189305526 /nfs/dbraw/zinc/30/55/26/189305526.db2.gz OINWPOJJBWXJKV-WMLDXEAASA-N 1 1 271.408 3.083 20 30 CGEDMO N#Cc1ccc(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000301522583 201045907 /nfs/dbraw/zinc/04/59/07/201045907.db2.gz OAOSPYXTNUXJHG-SFHVURJKSA-N 1 1 292.386 3.030 20 30 CGEDMO C[N@H+]1CC[C@H](Nc2ccc(C#N)cc2)[C@H]1c1ccccc1 ZINC000301820654 201217029 /nfs/dbraw/zinc/21/70/29/201217029.db2.gz BBISFXAHTMAFSL-ZWKOTPCHSA-N 1 1 277.371 3.416 20 30 CGEDMO CC[N@H+]1CCCC[C@@H]1CNc1ccc2cc(C#N)ccc2n1 ZINC000301969822 201280894 /nfs/dbraw/zinc/28/08/94/201280894.db2.gz CHSZHKDGOKUQML-MRXNPFEDSA-N 1 1 294.402 3.393 20 30 CGEDMO CC1=CC[N@H+](CCNc2c(Cl)cccc2C#N)CC1 ZINC000302159877 201372731 /nfs/dbraw/zinc/37/27/31/201372731.db2.gz PACRMUIGZGCPAS-UHFFFAOYSA-N 1 1 275.783 3.276 20 30 CGEDMO CC1=CC[N@@H+](CCNc2c(Cl)cccc2C#N)CC1 ZINC000302159877 201372736 /nfs/dbraw/zinc/37/27/36/201372736.db2.gz PACRMUIGZGCPAS-UHFFFAOYSA-N 1 1 275.783 3.276 20 30 CGEDMO CCO[C@@H]1CC[N@H+]([C@@H](C)c2cccc(C#N)c2)C[C@@H]1C ZINC000451551794 240324417 /nfs/dbraw/zinc/32/44/17/240324417.db2.gz XYQWVKBYMIYFPS-GRDNDAEWSA-N 1 1 272.392 3.366 20 30 CGEDMO CO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(F)cc2C#N)C12CCC2 ZINC000451849983 240370169 /nfs/dbraw/zinc/37/01/69/240370169.db2.gz LEVSPWGEFZMTGJ-HZPDHXFCSA-N 1 1 288.366 3.087 20 30 CGEDMO CO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(F)cc2C#N)C12CCC2 ZINC000451849983 240370173 /nfs/dbraw/zinc/37/01/73/240370173.db2.gz LEVSPWGEFZMTGJ-HZPDHXFCSA-N 1 1 288.366 3.087 20 30 CGEDMO C[C@H](C#N)C[N@H+](Cc1ccnc2ccccc12)C1CC1 ZINC000537661742 376191360 /nfs/dbraw/zinc/19/13/60/376191360.db2.gz SOOSTRFSOFXSSC-CYBMUJFWSA-N 1 1 265.360 3.359 20 30 CGEDMO C[C@H](C#N)C[N@@H+](Cc1ccnc2ccccc12)C1CC1 ZINC000537661742 376191367 /nfs/dbraw/zinc/19/13/67/376191367.db2.gz SOOSTRFSOFXSSC-CYBMUJFWSA-N 1 1 265.360 3.359 20 30 CGEDMO CC(C)OCCC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000275686090 193104771 /nfs/dbraw/zinc/10/47/71/193104771.db2.gz OUPSXVVVNKGPOB-CQSZACIVSA-N 1 1 260.381 3.366 20 30 CGEDMO C=CCCC[N@H+](C)Cc1nc(-c2ccc(OC)cc2)no1 ZINC000121115694 370831272 /nfs/dbraw/zinc/83/12/72/370831272.db2.gz RTCAKOOHCDTAJT-UHFFFAOYSA-N 1 1 287.363 3.143 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000121362265 370854829 /nfs/dbraw/zinc/85/48/29/370854829.db2.gz YDYALSZTBQZPCN-MRXNPFEDSA-N 1 1 263.356 3.117 20 30 CGEDMO C=CC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000121567345 370874277 /nfs/dbraw/zinc/87/42/77/370874277.db2.gz RTULSPOZGLKBNK-SNVBAGLBSA-N 1 1 286.297 3.150 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000121567345 370874280 /nfs/dbraw/zinc/87/42/80/370874280.db2.gz RTULSPOZGLKBNK-SNVBAGLBSA-N 1 1 286.297 3.150 20 30 CGEDMO C[C@@H]1CCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000124323428 370922737 /nfs/dbraw/zinc/92/27/37/370922737.db2.gz FFNMMQKYKAGILZ-CQSZACIVSA-N 1 1 258.365 3.353 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(C)cc1F ZINC000125935525 370941347 /nfs/dbraw/zinc/94/13/47/370941347.db2.gz ASSXXJLDVROOHJ-ZDUSSCGKSA-N 1 1 278.371 3.359 20 30 CGEDMO CC(C)N(CC[NH2+][C@H](C)c1ccc(C#N)cc1)C(C)C ZINC000019901017 368777151 /nfs/dbraw/zinc/77/71/51/368777151.db2.gz DRNDHTDCVNQXSL-OAHLLOKOSA-N 1 1 273.424 3.328 20 30 CGEDMO C[N@H+]1CCN(Cc2cccc(C#N)c2)[C@@H](c2ccccc2)C1 ZINC000020027660 368793651 /nfs/dbraw/zinc/79/36/51/368793651.db2.gz HCOYHEVTPZHNQM-LJQANCHMSA-N 1 1 291.398 3.047 20 30 CGEDMO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)CC1CCCCC1 ZINC000029455049 368895742 /nfs/dbraw/zinc/89/57/42/368895742.db2.gz ZXGCHQFUAVIQLA-UHFFFAOYSA-N 1 1 285.391 3.009 20 30 CGEDMO C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C1CCCCCC1 ZINC000036328542 369017107 /nfs/dbraw/zinc/01/71/07/369017107.db2.gz GFXAPEPSNWFXFB-KRWDZBQOSA-N 1 1 272.392 3.246 20 30 CGEDMO C[N@@H+](CCCNc1cc(C#N)ccn1)C1CCCCC1 ZINC000037901387 369123785 /nfs/dbraw/zinc/12/37/85/369123785.db2.gz CTCBHTUXKQHDQQ-UHFFFAOYSA-N 1 1 272.396 3.020 20 30 CGEDMO C=CCC[N@H+](C)Cc1cccc(OCCCOC)c1 ZINC000276076238 193206619 /nfs/dbraw/zinc/20/66/19/193206619.db2.gz AQTUTCWXQAXXDU-UHFFFAOYSA-N 1 1 263.381 3.110 20 30 CGEDMO CC(C)C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000330758346 203197854 /nfs/dbraw/zinc/19/78/54/203197854.db2.gz LLCQUJKOMMMIOP-INIZCTEOSA-N 1 1 285.391 3.007 20 30 CGEDMO CC[N@H+]1CCCN(c2cc(C#N)ccc2C(F)(F)F)CC1 ZINC000127948988 370958238 /nfs/dbraw/zinc/95/82/38/370958238.db2.gz GWDNRPALNFOKKB-UHFFFAOYSA-N 1 1 297.324 3.109 20 30 CGEDMO CC(C)(C)OC(=O)[C@H]1CCCC[N@@H+]1CCC(C)(C)C#N ZINC000128575132 370964643 /nfs/dbraw/zinc/96/46/43/370964643.db2.gz SHBBAEPXLKCCGZ-CYBMUJFWSA-N 1 1 280.412 3.122 20 30 CGEDMO CC(C)(C)OC(=O)[C@H]1CCCC[N@H+]1CCC(C)(C)C#N ZINC000128575132 370964646 /nfs/dbraw/zinc/96/46/46/370964646.db2.gz SHBBAEPXLKCCGZ-CYBMUJFWSA-N 1 1 280.412 3.122 20 30 CGEDMO C=CCC[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccco1 ZINC000276389563 193311584 /nfs/dbraw/zinc/31/15/84/193311584.db2.gz BIADKSLJTRDBBU-GOEBONIOSA-N 1 1 274.408 3.361 20 30 CGEDMO C=CCC[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccco1 ZINC000276389563 193311589 /nfs/dbraw/zinc/31/15/89/193311589.db2.gz BIADKSLJTRDBBU-GOEBONIOSA-N 1 1 274.408 3.361 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000276394937 193313685 /nfs/dbraw/zinc/31/36/85/193313685.db2.gz JQBBSCFZVPZVQB-BBRMVZONSA-N 1 1 297.826 3.286 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)Nc1c(CC)cccc1CC ZINC000276397058 193315057 /nfs/dbraw/zinc/31/50/57/193315057.db2.gz JWRATFVLWWHTMO-UHFFFAOYSA-N 1 1 274.408 3.258 20 30 CGEDMO C=CCC[N@H+](C)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000276483040 193350410 /nfs/dbraw/zinc/35/04/10/193350410.db2.gz SZMXPUWJVWJKHY-UHFFFAOYSA-N 1 1 286.419 3.321 20 30 CGEDMO C=CCC[N@@H+](C)Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000276484902 193350902 /nfs/dbraw/zinc/35/09/02/193350902.db2.gz UCPIEMHYDONYBD-UHFFFAOYSA-N 1 1 297.280 3.162 20 30 CGEDMO C=CCC[N@H+](C)Cc1nc(-c2cc(F)c(F)c(F)c2)no1 ZINC000276484902 193350904 /nfs/dbraw/zinc/35/09/04/193350904.db2.gz UCPIEMHYDONYBD-UHFFFAOYSA-N 1 1 297.280 3.162 20 30 CGEDMO C=CC[N@@H+](CCOCC(F)(F)F)CCc1ccccc1 ZINC000068334394 369742517 /nfs/dbraw/zinc/74/25/17/369742517.db2.gz HEKHLJQNXUFDCI-UHFFFAOYSA-N 1 1 287.325 3.296 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000072553266 369823894 /nfs/dbraw/zinc/82/38/94/369823894.db2.gz PLNJDZZGDOFBAM-UHFFFAOYSA-N 1 1 291.782 3.048 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000072553266 369823900 /nfs/dbraw/zinc/82/39/00/369823900.db2.gz PLNJDZZGDOFBAM-UHFFFAOYSA-N 1 1 291.782 3.048 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)CCc1ccc2c(c1)CCO2 ZINC000072692367 369834727 /nfs/dbraw/zinc/83/47/27/369834727.db2.gz DVDBGAOWPYVVMB-UHFFFAOYSA-N 1 1 286.419 3.426 20 30 CGEDMO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1nccs1 ZINC000078004149 369950085 /nfs/dbraw/zinc/95/00/85/369950085.db2.gz GSQPRIVBZKDXIY-CYBMUJFWSA-N 1 1 257.362 3.256 20 30 CGEDMO CC[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000079054493 369960380 /nfs/dbraw/zinc/96/03/80/369960380.db2.gz UGVRATZYNWFXEX-AWEZNQCLSA-N 1 1 285.391 3.009 20 30 CGEDMO C=CCCC[N@@H+](C)Cc1nc(Cc2ccccc2C)no1 ZINC000079438039 369968463 /nfs/dbraw/zinc/96/84/63/369968463.db2.gz PIKDTTVOXBIBKV-UHFFFAOYSA-N 1 1 285.391 3.367 20 30 CGEDMO C=CCCC[N@H+](C)Cc1nc(Cc2ccccc2C)no1 ZINC000079438039 369968467 /nfs/dbraw/zinc/96/84/67/369968467.db2.gz PIKDTTVOXBIBKV-UHFFFAOYSA-N 1 1 285.391 3.367 20 30 CGEDMO C=CCCC[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000076736349 369941122 /nfs/dbraw/zinc/94/11/22/369941122.db2.gz FHZRRNUEKZIXFR-UHFFFAOYSA-N 1 1 252.289 3.132 20 30 CGEDMO C=CCCC[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000076736349 369941128 /nfs/dbraw/zinc/94/11/28/369941128.db2.gz FHZRRNUEKZIXFR-UHFFFAOYSA-N 1 1 252.289 3.132 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000076737518 369941796 /nfs/dbraw/zinc/94/17/96/369941796.db2.gz NUDQEODGMVXCKB-KBPBESRZSA-N 1 1 292.398 3.289 20 30 CGEDMO CCOC(=O)C[N@@H+](CCCC(C)(C)C#N)C1CCCC1 ZINC000083244152 370003368 /nfs/dbraw/zinc/00/33/68/370003368.db2.gz YPBAKCXAGLOMQX-UHFFFAOYSA-N 1 1 280.412 3.124 20 30 CGEDMO N#Cc1ccc(Cl)cc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000083798709 370009696 /nfs/dbraw/zinc/00/96/96/370009696.db2.gz IWJCMYVZVYKYLT-ZIAGYGMSSA-N 1 1 275.783 3.250 20 30 CGEDMO N#CCC[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000090664777 370063273 /nfs/dbraw/zinc/06/32/73/370063273.db2.gz YSKCGWHQUKCFGC-KURKYZTESA-N 1 1 283.419 3.248 20 30 CGEDMO C=CCc1cc(C[N@@H+]2CC[C@H](CC)C2)cc(OC)c1O ZINC000091929539 370082446 /nfs/dbraw/zinc/08/24/46/370082446.db2.gz XVTDKSFETAKPCT-ZDUSSCGKSA-N 1 1 275.392 3.361 20 30 CGEDMO C=CCc1cc(C[N@H+](CC)C[C@@H](C)C#N)cc(OC)c1O ZINC000091982982 370083852 /nfs/dbraw/zinc/08/38/52/370083852.db2.gz CRKAKWWJXBFJIN-ZDUSSCGKSA-N 1 1 288.391 3.111 20 30 CGEDMO C=CCc1cc(C[N@@H+](CC)C[C@@H](C)C#N)cc(OC)c1O ZINC000091982982 370083858 /nfs/dbraw/zinc/08/38/58/370083858.db2.gz CRKAKWWJXBFJIN-ZDUSSCGKSA-N 1 1 288.391 3.111 20 30 CGEDMO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc(C#N)o1)CCC2 ZINC000093364970 370119805 /nfs/dbraw/zinc/11/98/05/370119805.db2.gz BWSHJUORZISRNS-CQSZACIVSA-N 1 1 287.388 3.426 20 30 CGEDMO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccc(C#N)o1)CCC2 ZINC000093364970 370119809 /nfs/dbraw/zinc/11/98/09/370119809.db2.gz BWSHJUORZISRNS-CQSZACIVSA-N 1 1 287.388 3.426 20 30 CGEDMO C=CC[N@H+](Cc1ccc(CO)o1)CC1CCCCC1 ZINC000093382945 370120765 /nfs/dbraw/zinc/12/07/65/370120765.db2.gz IDJWUIZEQKRKAE-UHFFFAOYSA-N 1 1 263.381 3.340 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccc(OC)c(OCC)c1 ZINC000093533594 370139506 /nfs/dbraw/zinc/13/95/06/370139506.db2.gz OGECZUKIUFNVOI-UHFFFAOYSA-N 1 1 263.381 3.492 20 30 CGEDMO CN1CCCC[C@H]1CC[N@H+](C)CC(C)(C)CCC#N ZINC000093660245 370154327 /nfs/dbraw/zinc/15/43/27/370154327.db2.gz SDCWNVYRABOPDR-HNNXBMFYSA-N 1 1 265.445 3.123 20 30 CGEDMO CN1CCCC[C@H]1CC[N@@H+](C)CC(C)(C)CCC#N ZINC000093660245 370154332 /nfs/dbraw/zinc/15/43/32/370154332.db2.gz SDCWNVYRABOPDR-HNNXBMFYSA-N 1 1 265.445 3.123 20 30 CGEDMO N#CCCCCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103229116 370321351 /nfs/dbraw/zinc/32/13/51/370321351.db2.gz YSVHXLQCXHWESW-QGZVFWFLSA-N 1 1 277.456 3.268 20 30 CGEDMO C=CC[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000108363250 370357793 /nfs/dbraw/zinc/35/77/93/370357793.db2.gz LKARRMMTRSPDRN-UHFFFAOYSA-N 1 1 273.355 3.266 20 30 CGEDMO Cc1nc2c(s1)[C@@H]([N@@H+](C)CCCCC#N)CCC2 ZINC000111312945 370396140 /nfs/dbraw/zinc/39/61/40/370396140.db2.gz FVNIHMHMEBPKKO-ZDUSSCGKSA-N 1 1 263.410 3.455 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000112560070 370434439 /nfs/dbraw/zinc/43/44/39/370434439.db2.gz MVWGSKPTORFMDI-HNNXBMFYSA-N 1 1 289.423 3.244 20 30 CGEDMO C[C@@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1ccc(C#N)cc1F ZINC000512613170 245043645 /nfs/dbraw/zinc/04/36/45/245043645.db2.gz QWCGMUCRPOWJFC-CNOZUTPLSA-N 1 1 296.345 3.006 20 30 CGEDMO CCCn1cc(C[NH2+][C@H](CCC#N)c2ccccc2)cn1 ZINC000130398494 371030090 /nfs/dbraw/zinc/03/00/90/371030090.db2.gz LAHAEBRQUFIICQ-QGZVFWFLSA-N 1 1 282.391 3.428 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+](C)Cc1ccoc1C ZINC000130418532 371032164 /nfs/dbraw/zinc/03/21/64/371032164.db2.gz HPWLOYYKKTXLGR-UHFFFAOYSA-N 1 1 270.332 3.100 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](C)Cc1ccoc1C ZINC000130418532 371032167 /nfs/dbraw/zinc/03/21/67/371032167.db2.gz HPWLOYYKKTXLGR-UHFFFAOYSA-N 1 1 270.332 3.100 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCCC(C)(C)C1 ZINC000130470274 371036710 /nfs/dbraw/zinc/03/67/10/371036710.db2.gz OEMZWMGGVRYNBR-UHFFFAOYSA-N 1 1 258.365 3.189 20 30 CGEDMO CC[C@@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000135118283 371391114 /nfs/dbraw/zinc/39/11/14/371391114.db2.gz LJUWSQRJOYIITB-OAHLLOKOSA-N 1 1 272.392 3.099 20 30 CGEDMO CC[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000135118283 371391118 /nfs/dbraw/zinc/39/11/18/371391118.db2.gz LJUWSQRJOYIITB-OAHLLOKOSA-N 1 1 272.392 3.099 20 30 CGEDMO C[N@H+](Cc1ccccc1C(C)(C)C#N)C[C@H]1CCCO1 ZINC000135177477 371398802 /nfs/dbraw/zinc/39/88/02/371398802.db2.gz YUFNOXPEUBHBCX-OAHLLOKOSA-N 1 1 272.392 3.099 20 30 CGEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC000344043330 217025059 /nfs/dbraw/zinc/02/50/59/217025059.db2.gz XGGKJKFNJZLTDB-ZIAGYGMSSA-N 1 1 299.418 3.253 20 30 CGEDMO CC1(C)C[N@H+](Cc2cc(C#N)ccc2F)[C@@H]1[C@H]1CCCO1 ZINC000289877175 371844487 /nfs/dbraw/zinc/84/44/87/371844487.db2.gz RPYZRTMYZPIMSV-HZPDHXFCSA-N 1 1 288.366 3.087 20 30 CGEDMO CC1(C)C[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]1[C@H]1CCCO1 ZINC000289877175 371844494 /nfs/dbraw/zinc/84/44/94/371844494.db2.gz RPYZRTMYZPIMSV-HZPDHXFCSA-N 1 1 288.366 3.087 20 30 CGEDMO CC1(C)C[N@H+](Cc2ccc(C#N)cc2F)[C@H]1[C@H]1CCCO1 ZINC000289871496 371842772 /nfs/dbraw/zinc/84/27/72/371842772.db2.gz RFTZASXMPASIOX-CVEARBPZSA-N 1 1 288.366 3.087 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2F)[C@H]1[C@H]1CCCO1 ZINC000289871496 371842781 /nfs/dbraw/zinc/84/27/81/371842781.db2.gz RFTZASXMPASIOX-CVEARBPZSA-N 1 1 288.366 3.087 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000155210152 371913434 /nfs/dbraw/zinc/91/34/34/371913434.db2.gz MRPUEBKSHDEJPP-CQSZACIVSA-N 1 1 290.407 3.156 20 30 CGEDMO CC[N@@H+](CCC(=O)Nc1ccc(Cl)cc1)C[C@H](C)C#N ZINC000155238245 371916997 /nfs/dbraw/zinc/91/69/97/371916997.db2.gz JNLZNBCLARSKJA-GFCCVEGCSA-N 1 1 293.798 3.150 20 30 CGEDMO C#CC[N@@H+](Cc1nnc(-c2ccc(C)cc2)o1)C1CCCC1 ZINC000155919130 371952022 /nfs/dbraw/zinc/95/20/22/371952022.db2.gz PNHWVLTWQHYZNA-UHFFFAOYSA-N 1 1 295.386 3.423 20 30 CGEDMO C#CC[N@H+](Cc1nnc(-c2ccc(C)cc2)o1)C1CCCC1 ZINC000155919130 371952026 /nfs/dbraw/zinc/95/20/26/371952026.db2.gz PNHWVLTWQHYZNA-UHFFFAOYSA-N 1 1 295.386 3.423 20 30 CGEDMO CSC1(C[N@@H+](C)Cc2ccc(C#N)cc2)CCC1 ZINC000290528124 372011215 /nfs/dbraw/zinc/01/12/15/372011215.db2.gz VCGLCRKROUJVPY-UHFFFAOYSA-N 1 1 260.406 3.276 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000158539420 372072768 /nfs/dbraw/zinc/07/27/68/372072768.db2.gz IZOTYMSKJJVHHI-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000424664145 372091435 /nfs/dbraw/zinc/09/14/35/372091435.db2.gz LMLSAKLKQVNYLP-OAHLLOKOSA-N 1 1 288.435 3.225 20 30 CGEDMO C=CCN1CC[C@@H]([N@@H+]2CC(C)(C)C[C@@H]2c2ccccc2)C1=O ZINC000425545254 372132765 /nfs/dbraw/zinc/13/27/65/372132765.db2.gz RUDWEPAHQUUJTN-IAGOWNOFSA-N 1 1 298.430 3.247 20 30 CGEDMO C=CCCCCC[NH2+]C(C)(C)c1nocc1C(=O)OC ZINC000425590966 372135286 /nfs/dbraw/zinc/13/52/86/372135286.db2.gz SGSOLRGWSBVSJV-UHFFFAOYSA-N 1 1 280.368 3.032 20 30 CGEDMO COCC[N@@H+](CC#Cc1ccc(Cl)cc1)CC(C)C ZINC000426385026 372155489 /nfs/dbraw/zinc/15/54/89/372155489.db2.gz KAFRXSLMXTUDAO-UHFFFAOYSA-N 1 1 279.811 3.296 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1F)CC(C)(C)COC ZINC000426412581 372157055 /nfs/dbraw/zinc/15/70/55/372157055.db2.gz UKXCXAODSBKKBI-UHFFFAOYSA-N 1 1 265.372 3.486 20 30 CGEDMO CC[N@@H+](CCC(=O)Nc1ccccc1C#N)CC(C)(C)C ZINC000291142490 372124988 /nfs/dbraw/zinc/12/49/88/372124988.db2.gz CZHMNDHCUCXYIP-UHFFFAOYSA-N 1 1 287.407 3.255 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000160153561 372219047 /nfs/dbraw/zinc/21/90/47/372219047.db2.gz JNCSKEMOEJYBIR-CQSZACIVSA-N 1 1 299.349 3.078 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000292490062 372194578 /nfs/dbraw/zinc/19/45/78/372194578.db2.gz WNOXURPVESJJNI-HNNXBMFYSA-N 1 1 290.451 3.088 20 30 CGEDMO N#Cc1cccc(OCCC[N@H+]2CCCc3occc3C2)c1 ZINC000344275646 217128447 /nfs/dbraw/zinc/12/84/47/217128447.db2.gz NRPIQTZSBNZYNL-UHFFFAOYSA-N 1 1 296.370 3.369 20 30 CGEDMO N#Cc1c(F)cccc1C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000428987851 372298618 /nfs/dbraw/zinc/29/86/18/372298618.db2.gz YNJKQSAWDRULED-JTQLQIEISA-N 1 1 286.272 3.472 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000428987851 372298625 /nfs/dbraw/zinc/29/86/25/372298625.db2.gz YNJKQSAWDRULED-JTQLQIEISA-N 1 1 286.272 3.472 20 30 CGEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](CC3CCCCCC3)C2)nc1 ZINC000428811564 372265412 /nfs/dbraw/zinc/26/54/12/372265412.db2.gz JMHONXMBZSTSNG-KRWDZBQOSA-N 1 1 299.418 3.377 20 30 CGEDMO C[C@@H]1C[N@H+](CC#Cc2ccccc2)Cc2ccccc2O1 ZINC000429141402 372318526 /nfs/dbraw/zinc/31/85/26/372318526.db2.gz LAEVRLMTRPPXGY-MRXNPFEDSA-N 1 1 277.367 3.321 20 30 CGEDMO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)Cc2ccccc2O1 ZINC000429141402 372318533 /nfs/dbraw/zinc/31/85/33/372318533.db2.gz LAEVRLMTRPPXGY-MRXNPFEDSA-N 1 1 277.367 3.321 20 30 CGEDMO Cc1cc(CN2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)ccc1C#N ZINC000429009739 372303349 /nfs/dbraw/zinc/30/33/49/372303349.db2.gz OWSAKTFXFPBBCT-ZSZQSSIHSA-N 1 1 297.446 3.029 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)[C@H](C)c1ccc(F)cc1F ZINC000429713302 372377675 /nfs/dbraw/zinc/37/76/75/372377675.db2.gz DCQKRNZHPCRHGY-CYBMUJFWSA-N 1 1 282.378 3.466 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1Cl)[C@H]1CCSC1 ZINC000162865834 372429784 /nfs/dbraw/zinc/42/97/84/372429784.db2.gz FYYQUPIGACUBCD-LBPRGKRZSA-N 1 1 266.797 3.149 20 30 CGEDMO C=CCC(C)(C)CNC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000432072490 372533834 /nfs/dbraw/zinc/53/38/34/372533834.db2.gz SLTJIKNSCVVFRJ-CABCVRRESA-N 1 1 295.471 3.151 20 30 CGEDMO C=CCC(C)(C)CNC(=O)N[C@H](C)C[N@H+](CC)CCC ZINC000432348351 372563698 /nfs/dbraw/zinc/56/36/98/372563698.db2.gz QSLMQFJWBMUGBV-CQSZACIVSA-N 1 1 283.460 3.008 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000433318919 372591834 /nfs/dbraw/zinc/59/18/34/372591834.db2.gz PFSCDUWTIGXAFG-CQSZACIVSA-N 1 1 264.413 3.086 20 30 CGEDMO C[C@H](CC[N@@H+](C)CC(C)(C)C#N)OCc1ccccc1 ZINC000433319115 372591851 /nfs/dbraw/zinc/59/18/51/372591851.db2.gz NKSQIOOBHAXXAX-OAHLLOKOSA-N 1 1 274.408 3.463 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000433925810 372641088 /nfs/dbraw/zinc/64/10/88/372641088.db2.gz IHQSYVGGZRAFIL-GOEBONIOSA-N 1 1 293.455 3.047 20 30 CGEDMO C=CC(C)(C)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000294487882 372656659 /nfs/dbraw/zinc/65/66/59/372656659.db2.gz NBXMDMNSQKDURS-UHFFFAOYSA-N 1 1 288.435 3.355 20 30 CGEDMO CC(C)N(CC[NH2+][C@H]1CCc2ccc(C#N)cc21)C(C)C ZINC000353391332 220057541 /nfs/dbraw/zinc/05/75/41/220057541.db2.gz WULYXFIKPBLOPO-SFHVURJKSA-N 1 1 285.435 3.254 20 30 CGEDMO C#CC[N@@H+](C)CCCN[C@H]1C[C@H](C)Sc2sccc21 ZINC000294865444 372676843 /nfs/dbraw/zinc/67/68/43/372676843.db2.gz CICBGSOUDAHNIH-JSGCOSHPSA-N 1 1 294.489 3.218 20 30 CGEDMO C#CC[N@H+](C)CCCN[C@H]1C[C@H](C)Sc2sccc21 ZINC000294865444 372676850 /nfs/dbraw/zinc/67/68/50/372676850.db2.gz CICBGSOUDAHNIH-JSGCOSHPSA-N 1 1 294.489 3.218 20 30 CGEDMO C=CCc1cc(C[N@H+](CC)CCC)cc(OC)c1O ZINC000434992631 372724381 /nfs/dbraw/zinc/72/43/81/372724381.db2.gz UENYBBMEWDZNFS-UHFFFAOYSA-N 1 1 263.381 3.361 20 30 CGEDMO C[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)Cc1cccc(C#N)c1 ZINC000435133015 372736066 /nfs/dbraw/zinc/73/60/66/372736066.db2.gz NYOIAXGLVGXQNA-UHFFFAOYSA-N 1 1 292.342 3.173 20 30 CGEDMO C=CC[N@H+](CC[C@@H]1CCOC1)Cc1ccc(OC)cc1 ZINC000437594827 372853519 /nfs/dbraw/zinc/85/35/19/372853519.db2.gz RDTZFGKKHXMXHD-MRXNPFEDSA-N 1 1 275.392 3.110 20 30 CGEDMO C=CCC[C@H]([NH2+]Cc1nccnc1OC)c1ccccc1 ZINC000295760020 372901350 /nfs/dbraw/zinc/90/13/50/372901350.db2.gz QDEBILUHRDGZMJ-HNNXBMFYSA-N 1 1 283.375 3.282 20 30 CGEDMO Cc1ccc2[nH]c(C[NH2+]Cc3cc(C#N)cs3)nc2c1 ZINC000344740290 217295580 /nfs/dbraw/zinc/29/55/80/217295580.db2.gz LGOJJROQCPJQQH-UHFFFAOYSA-N 1 1 282.372 3.094 20 30 CGEDMO Cc1ccc2nc(C[NH2+]Cc3cc(C#N)cs3)[nH]c2c1 ZINC000344740290 217295583 /nfs/dbraw/zinc/29/55/83/217295583.db2.gz LGOJJROQCPJQQH-UHFFFAOYSA-N 1 1 282.372 3.094 20 30 CGEDMO COc1cc(C#N)ccc1Cn1c[nH+]c2c1C[C@H](C)[C@@H](C)C2 ZINC000295945169 372969028 /nfs/dbraw/zinc/96/90/28/372969028.db2.gz LIWZQKYSPALMQZ-STQMWFEESA-N 1 1 295.386 3.182 20 30 CGEDMO CC[C@@H]1C[N@H+](CC#Cc2ccccc2Cl)CCCO1 ZINC000439470438 372978800 /nfs/dbraw/zinc/97/88/00/372978800.db2.gz DJJZJQLRJAFBNE-OAHLLOKOSA-N 1 1 277.795 3.192 20 30 CGEDMO CC[C@@H]1C[N@@H+](CC#Cc2ccccc2Cl)CCCO1 ZINC000439470438 372978802 /nfs/dbraw/zinc/97/88/02/372978802.db2.gz DJJZJQLRJAFBNE-OAHLLOKOSA-N 1 1 277.795 3.192 20 30 CGEDMO CC(C)[N@H+]1CCCN(CC#Cc2ccccc2Cl)CC1 ZINC000441143708 372997262 /nfs/dbraw/zinc/99/72/62/372997262.db2.gz IGPHMLSWRHUMQF-UHFFFAOYSA-N 1 1 290.838 3.108 20 30 CGEDMO C=C(C)C[N@@H+]1CCN(Cc2ccccc2OCC)C[C@@H]1C ZINC000441363550 373002694 /nfs/dbraw/zinc/00/26/94/373002694.db2.gz JREBHVKKVINSOG-INIZCTEOSA-N 1 1 288.435 3.168 20 30 CGEDMO C=CCCCCC[N@@H+](C)Cc1nc(CC(F)(F)F)no1 ZINC000441446094 373016421 /nfs/dbraw/zinc/01/64/21/373016421.db2.gz HWPSSMNJDARVLD-UHFFFAOYSA-N 1 1 291.317 3.353 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1nc(CC(F)(F)F)no1 ZINC000441446094 373016430 /nfs/dbraw/zinc/01/64/30/373016430.db2.gz HWPSSMNJDARVLD-UHFFFAOYSA-N 1 1 291.317 3.353 20 30 CGEDMO CC[NH+](CC)[C@H](CN[C@@H]1CC[C@@H](C#N)C1)CC(C)C ZINC000442710479 373068336 /nfs/dbraw/zinc/06/83/36/373068336.db2.gz CQDMUWDDOBCJQO-OAGGEKHMSA-N 1 1 265.445 3.025 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)c(OC)c1)[C@H](C)C(C)C ZINC000442817332 373095809 /nfs/dbraw/zinc/09/58/09/373095809.db2.gz ZGLRDPMIAQTEEH-CYBMUJFWSA-N 1 1 260.381 3.433 20 30 CGEDMO COc1cc(C[N@H+]2CC[C@@H](C)C(C)(C)C2)ccc1C#N ZINC000442840331 373101077 /nfs/dbraw/zinc/10/10/77/373101077.db2.gz KZFZQLXJKSQHAL-CYBMUJFWSA-N 1 1 272.392 3.435 20 30 CGEDMO COc1cc(C[N@@H+](C(C)C)C2CCC2)ccc1C#N ZINC000442884463 373118765 /nfs/dbraw/zinc/11/87/65/373118765.db2.gz KRZLKTKZNAEWGW-UHFFFAOYSA-N 1 1 258.365 3.330 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCO[C@@](C)(CC)C2)c1 ZINC000443847087 373160684 /nfs/dbraw/zinc/16/06/84/373160684.db2.gz AURQETDULOIMAT-KRWDZBQOSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCO[C@@](C)(CC)C2)c1 ZINC000443847087 373160688 /nfs/dbraw/zinc/16/06/88/373160688.db2.gz AURQETDULOIMAT-KRWDZBQOSA-N 1 1 275.392 3.252 20 30 CGEDMO CCc1ccccc1CC[N@@H+](CCC#N)CC1CC1 ZINC000444651461 373222395 /nfs/dbraw/zinc/22/23/95/373222395.db2.gz VIZNJRCFYYUQQW-UHFFFAOYSA-N 1 1 256.393 3.417 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCc2ncsc2C1 ZINC000444680621 373232474 /nfs/dbraw/zinc/23/24/74/373232474.db2.gz GNAXUWMLVOCPEW-UHFFFAOYSA-N 1 1 263.410 3.221 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)Cc1cc(Cl)ccc1F ZINC000444699760 373242539 /nfs/dbraw/zinc/24/25/39/373242539.db2.gz FPZPPZMCCZIOBJ-ZDUSSCGKSA-N 1 1 271.763 3.238 20 30 CGEDMO CC[N@@H+](C[C@H]1CCCO1)[C@@H](C)c1ccc(C#N)cc1 ZINC000299074833 373456315 /nfs/dbraw/zinc/45/63/15/373456315.db2.gz QECBOIDPCJJCTR-XJKSGUPXSA-N 1 1 258.365 3.120 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000299375340 373522820 /nfs/dbraw/zinc/52/28/20/373522820.db2.gz LZNHXTWBJSMCBS-KXBFYZLASA-N 1 1 294.398 3.155 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@H](c3ccccc3)C2)cc1C#N ZINC000353644238 220216449 /nfs/dbraw/zinc/21/64/49/220216449.db2.gz NAGDHCCPLUENDV-KRWDZBQOSA-N 1 1 279.387 3.276 20 30 CGEDMO C[C@@H](CNc1ccc(C#N)cc1)[N@H+]1CCc2sccc2C1 ZINC000301063555 373644695 /nfs/dbraw/zinc/64/46/95/373644695.db2.gz CDINXLQAVFCFIQ-ZDUSSCGKSA-N 1 1 297.427 3.478 20 30 CGEDMO C=CCC1(C(=O)N2CC[NH+](C3CCC3)CC2)CCCCC1 ZINC000448980596 373654012 /nfs/dbraw/zinc/65/40/12/373654012.db2.gz BKKHNOSASPYFQQ-UHFFFAOYSA-N 1 1 290.451 3.210 20 30 CGEDMO C=C(C)C[N@@H+](CC)C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449002220 373654412 /nfs/dbraw/zinc/65/44/12/373654412.db2.gz JTVGUYSMQJMYEQ-CQSZACIVSA-N 1 1 295.448 3.092 20 30 CGEDMO CC1(C#N)CCC([NH2+]CCc2ccc3cn[nH]c3c2)CC1 ZINC000449309027 373679114 /nfs/dbraw/zinc/67/91/14/373679114.db2.gz BKFUVOCDWLUIDV-UHFFFAOYSA-N 1 1 282.391 3.167 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCNc1ccc(Cl)cc1C#N ZINC000301194695 373688800 /nfs/dbraw/zinc/68/88/00/373688800.db2.gz NAYIZWRFBAUIDB-GFCCVEGCSA-N 1 1 277.799 3.498 20 30 CGEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2C#N)C12CCC2 ZINC000177675748 373700080 /nfs/dbraw/zinc/70/00/80/373700080.db2.gz OGPODSMFAHAOGC-SJORKVTESA-N 1 1 284.403 3.338 20 30 CGEDMO CC[C@@H]1CCCC[N@H+]1CCNc1cc(C(C)=O)ccc1C#N ZINC000302122228 373820747 /nfs/dbraw/zinc/82/07/47/373820747.db2.gz UVALUYZTARNOJN-QGZVFWFLSA-N 1 1 299.418 3.437 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@]3(CCOC3)C2)cc1 ZINC000449689339 373840068 /nfs/dbraw/zinc/84/00/68/373840068.db2.gz ZGPXBCDXGWXHCE-SFHVURJKSA-N 1 1 287.403 3.254 20 30 CGEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000179168153 373842511 /nfs/dbraw/zinc/84/25/11/373842511.db2.gz XFNAZFKUTJEKBE-INIZCTEOSA-N 1 1 280.375 3.235 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]Cc1cnc(C2CC2)o1 ZINC000449698836 373844336 /nfs/dbraw/zinc/84/43/36/373844336.db2.gz PDWHPYZWZFQJAS-UHFFFAOYSA-N 1 1 284.359 3.407 20 30 CGEDMO COc1ccc([C@H](C)C[N@@H+](CCC#N)CC2CC2)cc1 ZINC000180057650 373962046 /nfs/dbraw/zinc/96/20/46/373962046.db2.gz HJIIWKDOSJYLDC-CQSZACIVSA-N 1 1 272.392 3.424 20 30 CGEDMO N#Cc1ccc(C[N@H+](CCCO)Cc2cccc(F)c2)cc1 ZINC000303406157 374015210 /nfs/dbraw/zinc/01/52/10/374015210.db2.gz RASXRKDAPRVVAZ-UHFFFAOYSA-N 1 1 298.361 3.082 20 30 CGEDMO CC[N@@H+](Cc1ccc(N(C)CCC#N)cc1)C1CC1 ZINC000180102453 373966198 /nfs/dbraw/zinc/96/61/98/373966198.db2.gz LHAVWJJMAVEING-UHFFFAOYSA-N 1 1 257.381 3.021 20 30 CGEDMO C=CCC1(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCCC1 ZINC000449964604 373978556 /nfs/dbraw/zinc/97/85/56/373978556.db2.gz AKWMTEAAEARUKC-MQVJKMGUSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCC1(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)CCCCC1 ZINC000449995302 373979979 /nfs/dbraw/zinc/97/99/79/373979979.db2.gz LIZRIBJUBUGSEZ-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CCCCC1 ZINC000450102230 373987969 /nfs/dbraw/zinc/98/79/69/373987969.db2.gz DTUNOYYDAHYMOP-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO C[N@@H+](CCCn1ccnc1)Cc1ccccc1C(C)(C)C#N ZINC000181108157 374080447 /nfs/dbraw/zinc/08/04/47/374080447.db2.gz JXYOLMJMYRQUJM-UHFFFAOYSA-N 1 1 296.418 3.206 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1OC ZINC000305091435 374066528 /nfs/dbraw/zinc/06/65/28/374066528.db2.gz PUGXKIFEDITWFQ-GDBMZVCRSA-N 1 1 275.392 3.159 20 30 CGEDMO COC[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(C)o1 ZINC000181848186 374181421 /nfs/dbraw/zinc/18/14/21/374181421.db2.gz ZIDZPFHIYOTGSZ-XJKSGUPXSA-N 1 1 284.359 3.498 20 30 CGEDMO C[C@H](CN[C@@H](C)c1cccc(C#N)c1)[NH+]1CCC(C)CC1 ZINC000181624449 374148117 /nfs/dbraw/zinc/14/81/17/374148117.db2.gz QTSOVQHVMCXCOX-CVEARBPZSA-N 1 1 285.435 3.329 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)CCCC(=O)OC(C)(C)C ZINC000181903189 374187185 /nfs/dbraw/zinc/18/71/85/374187185.db2.gz XFVYJHNXZCRBIA-UHFFFAOYSA-N 1 1 282.428 3.370 20 30 CGEDMO CC[N@H+](C[C@H](C)C#N)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182722161 374318336 /nfs/dbraw/zinc/31/83/36/374318336.db2.gz LTDBVPSSZZHDGI-YPMHNXCESA-N 1 1 275.352 3.446 20 30 CGEDMO CC[N@@H+](C[C@H](C)C#N)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182722161 374318340 /nfs/dbraw/zinc/31/83/40/374318340.db2.gz LTDBVPSSZZHDGI-YPMHNXCESA-N 1 1 275.352 3.446 20 30 CGEDMO CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000316121566 374331731 /nfs/dbraw/zinc/33/17/31/374331731.db2.gz DHBKJZFQSURVLW-HUUCEWRRSA-N 1 1 299.418 3.397 20 30 CGEDMO CC1=CC[N@@H+]([C@H](C)C(=O)NC(=O)NC2CCCCC2)CC1 ZINC000328869302 374389889 /nfs/dbraw/zinc/38/98/89/374389889.db2.gz PBMZVGWTINULTQ-CYBMUJFWSA-N 1 1 293.411 3.230 20 30 CGEDMO Cc1cccc(NCCNC(=O)[C@@H]2CCCCS2)[nH+]1 ZINC000329356137 374407301 /nfs/dbraw/zinc/40/73/01/374407301.db2.gz ZFXZBMWEBBJXRN-LBPRGKRZSA-N 1 1 279.409 3.044 20 30 CGEDMO C[C@@H]1Oc2cc(F)ccc2[C@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000334150408 374650088 /nfs/dbraw/zinc/65/00/88/374650088.db2.gz IZZGPRYDOOPFCH-VFZGTOFNSA-N 1 1 288.347 3.371 20 30 CGEDMO CC#CCCCC(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000466644887 374967840 /nfs/dbraw/zinc/96/78/40/374967840.db2.gz LTGKWCJLIIYOBA-UHFFFAOYSA-N 1 1 298.430 3.455 20 30 CGEDMO C=C(C)[C@@H]([NH2+]Cc1cn(C)nc1C)c1ccc(F)c(F)c1 ZINC000187371647 375012541 /nfs/dbraw/zinc/01/25/41/375012541.db2.gz BWRFYWDJDACUHC-MRXNPFEDSA-N 1 1 291.345 3.414 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)[C@@H]1CCCc2cc(OC)ccc21 ZINC000472750812 375031199 /nfs/dbraw/zinc/03/11/99/375031199.db2.gz LHJAVHOOWHJNHZ-CRAIPNDOSA-N 1 1 289.419 3.332 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2cccnc2)s1 ZINC000335149156 375176108 /nfs/dbraw/zinc/17/61/08/375176108.db2.gz IKJIWZPGVJKCOA-HNNXBMFYSA-N 1 1 269.373 3.352 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2cccnc2)s1 ZINC000335149156 375176112 /nfs/dbraw/zinc/17/61/12/375176112.db2.gz IKJIWZPGVJKCOA-HNNXBMFYSA-N 1 1 269.373 3.352 20 30 CGEDMO CCC[N@H+](Cc1cc(C)n(C)n1)Cc1ccc(C#N)cc1 ZINC000487382607 375236453 /nfs/dbraw/zinc/23/64/53/375236453.db2.gz VVYDOTVYIRJDPZ-UHFFFAOYSA-N 1 1 282.391 3.012 20 30 CGEDMO CCC[N@@H+](Cc1cc(C)n(C)n1)Cc1ccc(C#N)cc1 ZINC000487382607 375236460 /nfs/dbraw/zinc/23/64/60/375236460.db2.gz VVYDOTVYIRJDPZ-UHFFFAOYSA-N 1 1 282.391 3.012 20 30 CGEDMO CC[C@@H](O)C[N@@H+](CC#Cc1ccccc1)Cc1ccccc1 ZINC000484097629 375187296 /nfs/dbraw/zinc/18/72/96/375187296.db2.gz LLGBATFWGAZDOK-HXUWFJFHSA-N 1 1 293.410 3.311 20 30 CGEDMO C=CCOc1cccc(CNc2[nH]c3ccc(F)cc3[nH+]2)c1 ZINC000485968402 375194626 /nfs/dbraw/zinc/19/46/26/375194626.db2.gz SIPCAZWUHFTBPV-UHFFFAOYSA-N 1 1 297.333 3.301 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1nc(-c2ccccc2F)no1 ZINC000188951829 375298394 /nfs/dbraw/zinc/29/83/94/375298394.db2.gz KQQRBTXSLWUIFL-UHFFFAOYSA-N 1 1 275.327 3.274 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1nc(-c2ccccc2F)no1 ZINC000188951829 375298403 /nfs/dbraw/zinc/29/84/03/375298403.db2.gz KQQRBTXSLWUIFL-UHFFFAOYSA-N 1 1 275.327 3.274 20 30 CGEDMO N#Cc1ccc(C[N@H+](CCC[NH+]2CCCCC2)C2CC2)cc1 ZINC000188981471 375303937 /nfs/dbraw/zinc/30/39/37/375303937.db2.gz UBEHKRDANQKVNB-UHFFFAOYSA-N 1 1 297.446 3.399 20 30 CGEDMO N#Cc1ccc(C[N@@H+](CCC[NH+]2CCCCC2)C2CC2)cc1 ZINC000188981471 375303944 /nfs/dbraw/zinc/30/39/44/375303944.db2.gz UBEHKRDANQKVNB-UHFFFAOYSA-N 1 1 297.446 3.399 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000490106905 375320086 /nfs/dbraw/zinc/32/00/86/375320086.db2.gz UWOOQBBUWKNYMF-ZDUSSCGKSA-N 1 1 278.355 3.383 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCc2ccc(O)cc2C1 ZINC000490106905 375320092 /nfs/dbraw/zinc/32/00/92/375320092.db2.gz UWOOQBBUWKNYMF-ZDUSSCGKSA-N 1 1 278.355 3.383 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]2C2CCOCC2)c1F ZINC000335732561 375385561 /nfs/dbraw/zinc/38/55/61/375385561.db2.gz DVPAKFFNTYTYCL-INIZCTEOSA-N 1 1 288.366 3.088 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000494485535 375488321 /nfs/dbraw/zinc/48/83/21/375488321.db2.gz LGTBMAJAILXGJJ-KGLIPLIRSA-N 1 1 282.428 3.188 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCSC[C@@H](C)C1 ZINC000190487652 375514700 /nfs/dbraw/zinc/51/47/00/375514700.db2.gz VURJKPNKXKYPKJ-STQMWFEESA-N 1 1 260.406 3.304 20 30 CGEDMO Cn1cc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)cc1C#N ZINC000191218243 375597150 /nfs/dbraw/zinc/59/71/50/375597150.db2.gz WLZSKDFQMBGWRC-QGZVFWFLSA-N 1 1 297.427 3.187 20 30 CGEDMO Cn1cc(C[N@H+]2CCSC[C@@H]2c2ccccc2)cc1C#N ZINC000191218243 375597154 /nfs/dbraw/zinc/59/71/54/375597154.db2.gz WLZSKDFQMBGWRC-QGZVFWFLSA-N 1 1 297.427 3.187 20 30 CGEDMO CC[N@H+]1C[C@@H](C)N(CC#Cc2ccc(Cl)cc2)C[C@@H]1C ZINC000498918038 375629056 /nfs/dbraw/zinc/62/90/56/375629056.db2.gz ZTYZGTUELOHGTG-LSDHHAIUSA-N 1 1 290.838 3.106 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3ccncc3)C2)cc1 ZINC000336001781 375608693 /nfs/dbraw/zinc/60/86/93/375608693.db2.gz HJYXHITXXJTXJH-SFHVURJKSA-N 1 1 277.371 3.333 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@]3(CCCOC3)C2)ccc1F ZINC000336050215 375647640 /nfs/dbraw/zinc/64/76/40/375647640.db2.gz OVNACIDOVBOERD-QGZVFWFLSA-N 1 1 288.366 3.090 20 30 CGEDMO N#Cc1ccc(F)cc1C[NH+]1CCC(c2ccncc2)CC1 ZINC000191627880 375645424 /nfs/dbraw/zinc/64/54/24/375645424.db2.gz URVCIDOJAKOMEA-UHFFFAOYSA-N 1 1 295.361 3.472 20 30 CGEDMO Cc1cc(C[N@H+]2CCC3(CCOCC3)[C@H]2C)ccc1C#N ZINC000336096413 375683819 /nfs/dbraw/zinc/68/38/19/375683819.db2.gz ZNHMCEMHFACYSR-OAHLLOKOSA-N 1 1 284.403 3.258 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](CN(CC)CC(F)(F)F)C1 ZINC000509686006 375781623 /nfs/dbraw/zinc/78/16/23/375781623.db2.gz DRZNLYUVZDYKOK-ZDUSSCGKSA-N 1 1 278.362 3.159 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1conc1Cc1ccccc1 ZINC000512211260 375794013 /nfs/dbraw/zinc/79/40/13/375794013.db2.gz GYPBMCKPRBHOOS-UHFFFAOYSA-N 1 1 256.349 3.273 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1conc1Cc1ccccc1 ZINC000512211260 375794016 /nfs/dbraw/zinc/79/40/16/375794016.db2.gz GYPBMCKPRBHOOS-UHFFFAOYSA-N 1 1 256.349 3.273 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCOC3(CCCCC3)C2)cc1 ZINC000514753360 375805578 /nfs/dbraw/zinc/80/55/78/375805578.db2.gz KIUJZCVVWFGLAV-UHFFFAOYSA-N 1 1 284.403 3.288 20 30 CGEDMO C=C(C)CC[N@H+]1[C@H](C(=O)OC)CC[C@H]1c1ccccc1 ZINC000510766716 375788405 /nfs/dbraw/zinc/78/84/05/375788405.db2.gz UQQNXHSSRQSPDP-HOTGVXAUSA-N 1 1 273.376 3.331 20 30 CGEDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccccc1C#N ZINC000336611888 375874663 /nfs/dbraw/zinc/87/46/63/375874663.db2.gz MYPTWBDVMDDXHF-GWCFXTLKSA-N 1 1 268.282 3.331 20 30 CGEDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccccc1C#N ZINC000336611888 375874669 /nfs/dbraw/zinc/87/46/69/375874669.db2.gz MYPTWBDVMDDXHF-GWCFXTLKSA-N 1 1 268.282 3.331 20 30 CGEDMO C=C(C)[C@H]([NH2+]Cc1cnc(C)n1C)c1ccc(F)c(F)c1 ZINC000521463137 375875831 /nfs/dbraw/zinc/87/58/31/375875831.db2.gz ZSWSPSMSFWJLML-INIZCTEOSA-N 1 1 291.345 3.414 20 30 CGEDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000336615856 375877361 /nfs/dbraw/zinc/87/73/61/375877361.db2.gz JAQXKRKSWNHHHO-BXKDBHETSA-N 1 1 286.272 3.470 20 30 CGEDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000336615856 375877367 /nfs/dbraw/zinc/87/73/67/375877367.db2.gz JAQXKRKSWNHHHO-BXKDBHETSA-N 1 1 286.272 3.470 20 30 CGEDMO C[C@@]1(c2ccccc2)CCC[N@@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528381371 375900445 /nfs/dbraw/zinc/90/04/45/375900445.db2.gz MNHVLPHEDZUWRD-ZWKOTPCHSA-N 1 1 298.430 3.095 20 30 CGEDMO C=CCOCC[N@H+]1CCC[C@@]2(CCc3ccccc3O2)C1 ZINC000528727224 375908752 /nfs/dbraw/zinc/90/87/52/375908752.db2.gz FVHXXZQVRPQZAT-GOSISDBHSA-N 1 1 287.403 3.049 20 30 CGEDMO CCCC[N@@H+](CC)CCCC1(C#N)CCOCC1 ZINC000337135071 376092535 /nfs/dbraw/zinc/09/25/35/376092535.db2.gz NNNXWACNMKWJGS-UHFFFAOYSA-N 1 1 252.402 3.209 20 30 CGEDMO C=CCN1CC[C@H]([N@H+](C)[C@H](C)c2cc(C)ccc2C)C1=O ZINC000337136330 376092551 /nfs/dbraw/zinc/09/25/51/376092551.db2.gz NDKWOVKCIQAREZ-WBVHZDCISA-N 1 1 286.419 3.083 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cc2c(cc1OC)C[C@H](C)O2 ZINC000535775479 376058523 /nfs/dbraw/zinc/05/85/23/376058523.db2.gz LKJUQGQHCWJPSW-ZDUSSCGKSA-N 1 1 273.376 3.193 20 30 CGEDMO C=CCN1CC[C@H]([N@H+](CCC)[C@@H]2CCc3ccccc32)C1=O ZINC000337122543 376084052 /nfs/dbraw/zinc/08/40/52/376084052.db2.gz BLXAGKGLEKBGFM-MSOLQXFVSA-N 1 1 298.430 3.173 20 30 CGEDMO C=CCN1CC[C@@H]([N@H+]2CCCC(CC)(CC)CC2)C1=O ZINC000337208773 376136590 /nfs/dbraw/zinc/13/65/90/376136590.db2.gz REVVKXULTMONOY-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+](CCN1CCCc2ccccc21)C1CC1 ZINC000538955199 376281017 /nfs/dbraw/zinc/28/10/17/376281017.db2.gz PZJXLZKDPHMOPH-UHFFFAOYSA-N 1 1 256.393 3.090 20 30 CGEDMO COC(C)(C)C[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000538827725 376274740 /nfs/dbraw/zinc/27/47/40/376274740.db2.gz PRALFUAQKIFWFA-UHFFFAOYSA-N 1 1 290.407 3.226 20 30 CGEDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccccc1C#N ZINC000338363299 376350579 /nfs/dbraw/zinc/35/05/79/376350579.db2.gz SUKAYCDJQOQYST-UHFFFAOYSA-N 1 1 295.342 3.141 20 30 CGEDMO C=C(CC)C[N@H+](CCC)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000539103675 376294737 /nfs/dbraw/zinc/29/47/37/376294737.db2.gz AWWPLFGZCTYTKH-KFWWJZLASA-N 1 1 251.414 3.478 20 30 CGEDMO C=C(CC)C[N@@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000540201774 376365533 /nfs/dbraw/zinc/36/55/33/376365533.db2.gz GJFPNGCGAGLQSX-OAHLLOKOSA-N 1 1 292.810 3.343 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+]1CCN(CC(F)F)[C@@H](CC)C1 ZINC000540344420 376370984 /nfs/dbraw/zinc/37/09/84/376370984.db2.gz BIGJRSOKJYSWLY-KBPBESRZSA-N 1 1 274.399 3.393 20 30 CGEDMO Cc1cc(C[NH2+][C@@H]2COc3ccc(F)cc32)ccc1C#N ZINC000334305049 206340505 /nfs/dbraw/zinc/34/05/05/206340505.db2.gz GHFMFHSFHYQPFN-MRXNPFEDSA-N 1 1 282.318 3.229 20 30 CGEDMO C[C@@H]1CN(c2cc(C#N)ccc2C(F)(F)F)C[C@H](C)[N@@H+]1C ZINC000338796355 376540298 /nfs/dbraw/zinc/54/02/98/376540298.db2.gz RXHNCVXEWNGSKA-PHIMTYICSA-N 1 1 297.324 3.106 20 30 CGEDMO CC[N@@H+](CCCCC(C)(C)C#N)C[C@H]1CCCO1 ZINC000233443635 376597717 /nfs/dbraw/zinc/59/77/17/376597717.db2.gz DGSNNPQAWNUPNW-CQSZACIVSA-N 1 1 252.402 3.207 20 30 CGEDMO C[C@H](CNc1cccc(F)c1C#N)[N@H+]1CCCC[C@H]1C ZINC000339003899 376622571 /nfs/dbraw/zinc/62/25/71/376622571.db2.gz SKRLQUJCPKVFSW-CHWSQXEVSA-N 1 1 275.371 3.372 20 30 CGEDMO CC(C)C1CCC([N@@H+](C)CCOCCC#N)CC1 ZINC000339127390 376696188 /nfs/dbraw/zinc/69/61/88/376696188.db2.gz RZPLKWXYMJUKOI-UHFFFAOYSA-N 1 1 252.402 3.063 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](CC2CC2)C1 ZINC000339677910 376803248 /nfs/dbraw/zinc/80/32/48/376803248.db2.gz FGNFHLALPMQMEY-OAHLLOKOSA-N 1 1 270.376 3.189 20 30 CGEDMO CC1(C)C[N@@H+](CCCSCC#N)[C@H]2CCC[C@@H]21 ZINC000339719410 376825599 /nfs/dbraw/zinc/82/55/99/376825599.db2.gz OPNLTJXTWXOFIU-STQMWFEESA-N 1 1 252.427 3.144 20 30 CGEDMO Cc1[nH+]cn(Cc2ccc(C#N)cc2OC(F)F)c1C ZINC000339738637 376832413 /nfs/dbraw/zinc/83/24/13/376832413.db2.gz RWYXYISMJRBDII-UHFFFAOYSA-N 1 1 277.274 3.021 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)C(C)(C)C ZINC000340275481 376974360 /nfs/dbraw/zinc/97/43/60/376974360.db2.gz CQFOEIHDOFQDGX-MRXNPFEDSA-N 1 1 274.408 3.177 20 30 CGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000557052646 376919741 /nfs/dbraw/zinc/91/97/41/376919741.db2.gz ZZGQNJOLFGDEKY-HIFRSBDPSA-N 1 1 297.402 3.007 20 30 CGEDMO C[C@H]1C[N@H+](CCCCC#N)C[C@@H](c2ccc(F)cc2)O1 ZINC000246695519 377072914 /nfs/dbraw/zinc/07/29/14/377072914.db2.gz KKLPDZHQPGKYOU-BBRMVZONSA-N 1 1 276.355 3.281 20 30 CGEDMO C[C@H]1C[N@@H+](CCCCC#N)C[C@@H](c2ccc(F)cc2)O1 ZINC000246695519 377072921 /nfs/dbraw/zinc/07/29/21/377072921.db2.gz KKLPDZHQPGKYOU-BBRMVZONSA-N 1 1 276.355 3.281 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000247093478 377156785 /nfs/dbraw/zinc/15/67/85/377156785.db2.gz WRAGTTLIYNYGJM-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000247561627 377224119 /nfs/dbraw/zinc/22/41/19/377224119.db2.gz RSLCNXXWRZHDAP-HOTGVXAUSA-N 1 1 277.433 3.104 20 30 CGEDMO N#CCCCN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248068631 377263823 /nfs/dbraw/zinc/26/38/23/377263823.db2.gz MJJSCNWTVUFDNU-RTBURBONSA-N 1 1 297.446 3.277 20 30 CGEDMO C=CCCCC[N@H+](CC)CC(=O)N1CCCCCC1 ZINC000562541016 377327377 /nfs/dbraw/zinc/32/73/77/377327377.db2.gz XOHMRQYEVKLZIX-UHFFFAOYSA-N 1 1 266.429 3.067 20 30 CGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC[C@@H](C)[C@@H]1C ZINC000248366874 377294082 /nfs/dbraw/zinc/29/40/82/377294082.db2.gz SQEDNNIBYBSYCX-PMPSAXMXSA-N 1 1 299.418 3.052 20 30 CGEDMO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)Cc1cnccn1 ZINC000563090367 377400329 /nfs/dbraw/zinc/40/03/29/377400329.db2.gz OOWJWKWHKUZMFC-UHFFFAOYSA-N 1 1 280.375 3.006 20 30 CGEDMO N#CCC[NH2+]Cc1ccc(CN2CCc3ccccc32)cc1 ZINC000566698341 377501032 /nfs/dbraw/zinc/50/10/32/377501032.db2.gz IYAIXDFNEHRSNY-UHFFFAOYSA-N 1 1 291.398 3.253 20 30 CGEDMO CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCCC#N ZINC000249450636 377503435 /nfs/dbraw/zinc/50/34/35/377503435.db2.gz OLWHCGNMHVDAKN-KFWWJZLASA-N 1 1 292.423 3.265 20 30 CGEDMO CCC[C@H]1C[N@@H+]([C@H](C)c2cccc(C#N)c2)CCO1 ZINC000249289185 377486512 /nfs/dbraw/zinc/48/65/12/377486512.db2.gz QLACKGYLCYVURL-CJNGLKHVSA-N 1 1 258.365 3.120 20 30 CGEDMO CCC[C@H]1C[N@H+]([C@H](C)c2cccc(C#N)c2)CCO1 ZINC000249289185 377486521 /nfs/dbraw/zinc/48/65/21/377486521.db2.gz QLACKGYLCYVURL-CJNGLKHVSA-N 1 1 258.365 3.120 20 30 CGEDMO C[C@H]1CC[N@@H+](CCC(C)(C)C#N)C[C@@H]1C(=O)OC(C)(C)C ZINC000567791300 377509980 /nfs/dbraw/zinc/50/99/80/377509980.db2.gz MZACWTQVJCUEBP-KBPBESRZSA-N 1 1 294.439 3.226 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000571852101 377542968 /nfs/dbraw/zinc/54/29/68/377542968.db2.gz QIADNKZBAAIAJF-LBPRGKRZSA-N 1 1 265.319 3.122 20 30 CGEDMO CCOC[C@@H]1CCCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000313389083 249090723 /nfs/dbraw/zinc/09/07/23/249090723.db2.gz MLCARLLRJGOIFW-HNNXBMFYSA-N 1 1 276.355 3.088 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)C[C@@H]1CCCC[C@H]1O ZINC000572291398 377547552 /nfs/dbraw/zinc/54/75/52/377547552.db2.gz LWMWXGSUYAUHBG-DZGCQCFKSA-N 1 1 265.422 3.287 20 30 CGEDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000490549006 249173634 /nfs/dbraw/zinc/17/36/34/249173634.db2.gz URLYMQXDCPOPKB-KGLIPLIRSA-N 1 1 294.402 3.189 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC3(C2)CCCCC3)nc1 ZINC000573780103 377575552 /nfs/dbraw/zinc/57/55/52/377575552.db2.gz OQOMCMZJXVDEQA-UHFFFAOYSA-N 1 1 255.365 3.109 20 30 CGEDMO N#Cc1ccc(C[N@H+](C[C@@H]2CCCC[C@@H]2O)C2CC2)cc1 ZINC000518192709 249276643 /nfs/dbraw/zinc/27/66/43/249276643.db2.gz PONRZNLCRAAATJ-WMZOPIPTSA-N 1 1 284.403 3.074 20 30 CGEDMO CCCN1CCC([NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000341762809 377615744 /nfs/dbraw/zinc/61/57/44/377615744.db2.gz UWZIPKWLYCQVPO-IBGZPJMESA-N 1 1 297.446 3.400 20 30 CGEDMO CCC[NH+]1CCC(N[C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000341762809 377615754 /nfs/dbraw/zinc/61/57/54/377615754.db2.gz UWZIPKWLYCQVPO-IBGZPJMESA-N 1 1 297.446 3.400 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C(C)(C)C ZINC000574449824 377663426 /nfs/dbraw/zinc/66/34/26/377663426.db2.gz BULOBIUXSUQMBR-UHFFFAOYSA-N 1 1 293.798 3.271 20 30 CGEDMO C[C@H](C[NH+]1CCC(C)CC1)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000574585011 377683270 /nfs/dbraw/zinc/68/32/70/377683270.db2.gz PIGWEHIREBXEPK-DNVCBOLYSA-N 1 1 297.446 3.256 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)C[C@@H]1CCCOC1 ZINC000342684260 377732579 /nfs/dbraw/zinc/73/25/79/377732579.db2.gz TZTAIYXTETVCGM-ZDUSSCGKSA-N 1 1 251.395 3.163 20 30 CGEDMO Cc1cccc(CC[N@H+](C)[C@@H](C)c2cccc(C#N)c2)n1 ZINC000575043064 377741469 /nfs/dbraw/zinc/74/14/69/377741469.db2.gz GIIXYNPEAWDGOM-HNNXBMFYSA-N 1 1 279.387 3.497 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CC[C@H](C3CCOCC3)C2)cc1 ZINC000342720595 377754291 /nfs/dbraw/zinc/75/42/91/377754291.db2.gz AADKFLNLBKFECU-SFHVURJKSA-N 1 1 284.403 3.001 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(-n2nc(C)cc2C)cc1 ZINC000342733010 377762218 /nfs/dbraw/zinc/76/22/18/377762218.db2.gz IBLCLLZPUVMONA-UHFFFAOYSA-N 1 1 269.392 3.497 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C(=O)N(CC)CC)c1ccccc1 ZINC000342733022 377762285 /nfs/dbraw/zinc/76/22/85/377762285.db2.gz IFVSGWRUJATLPX-MRXNPFEDSA-N 1 1 274.408 3.104 20 30 CGEDMO C=CCC[N@@H+](C)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000342743322 377768268 /nfs/dbraw/zinc/76/82/68/377768268.db2.gz ZEECCHBNFPYADS-UHFFFAOYSA-N 1 1 283.331 3.090 20 30 CGEDMO C=CCC[N@H+](C)Cc1nc2c3ccccc3oc2c(=O)[nH]1 ZINC000342743322 377768271 /nfs/dbraw/zinc/76/82/71/377768271.db2.gz ZEECCHBNFPYADS-UHFFFAOYSA-N 1 1 283.331 3.090 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccc(CC#N)cc2)C[C@@H]1n1ccnc1 ZINC000342756728 377775947 /nfs/dbraw/zinc/77/59/47/377775947.db2.gz VHQOTHIHPGTEQO-YJBOKZPZSA-N 1 1 294.402 3.032 20 30 CGEDMO COCC[N@@H+](CCCCC#N)CCCc1ccccc1 ZINC000263827283 377952808 /nfs/dbraw/zinc/95/28/08/377952808.db2.gz SWKDRIWUWMPAKM-UHFFFAOYSA-N 1 1 274.408 3.261 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000343526527 378006367 /nfs/dbraw/zinc/00/63/67/378006367.db2.gz PENYOHBYMBRXLH-DOTOQJQBSA-N 1 1 286.419 3.122 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000343526527 378006371 /nfs/dbraw/zinc/00/63/71/378006371.db2.gz PENYOHBYMBRXLH-DOTOQJQBSA-N 1 1 286.419 3.122 20 30 CGEDMO N#CCc1ccc(CN2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC000343527662 378008247 /nfs/dbraw/zinc/00/82/47/378008247.db2.gz LIBBFQOYGAAABX-UHFFFAOYSA-N 1 1 297.446 3.203 20 30 CGEDMO CC(C)C[N@@H+](Cc1ccc(OCC#N)cc1)C(C)C ZINC000264525447 377988231 /nfs/dbraw/zinc/98/82/31/377988231.db2.gz BNVFZHYOAQRUQA-UHFFFAOYSA-N 1 1 260.381 3.455 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@H](OC)C2)cc1 ZINC000343466077 377988483 /nfs/dbraw/zinc/98/84/83/377988483.db2.gz IHIZECJIPIXGHH-RHSMWYFYSA-N 1 1 275.392 3.108 20 30 CGEDMO CC(C)(C#N)CCC[N@@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000266890733 378027715 /nfs/dbraw/zinc/02/77/15/378027715.db2.gz DVYRDYIVNXBXNK-UHFFFAOYSA-N 1 1 299.418 3.080 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000343602461 378037297 /nfs/dbraw/zinc/03/72/97/378037297.db2.gz RLIWYOBRCFQCKS-MRXNPFEDSA-N 1 1 272.392 3.080 20 30 CGEDMO CCC[N@@H+](Cc1cnn(C)c1C)Cc1ccc(C#N)cc1 ZINC000268914005 378151167 /nfs/dbraw/zinc/15/11/67/378151167.db2.gz NLMUFCDQZLXHAQ-UHFFFAOYSA-N 1 1 282.391 3.012 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000578776008 378099094 /nfs/dbraw/zinc/09/90/94/378099094.db2.gz RSTGVWDKKNFPJT-ZFWWWQNUSA-N 1 1 285.347 3.231 20 30 CGEDMO C=CC[C@@H](CO)CNc1c(C)c[nH+]c2c(OC)cccc12 ZINC000345110319 378197369 /nfs/dbraw/zinc/19/73/69/378197369.db2.gz IBMMGTBJFMBUJF-CYBMUJFWSA-N 1 1 286.375 3.148 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+](CCCO)Cc2ccccc2)c1 ZINC000268961535 378162080 /nfs/dbraw/zinc/16/20/80/378162080.db2.gz IQJQRMWMPUDBPD-UHFFFAOYSA-N 1 1 298.361 3.082 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+](CCCO)Cc2ccccc2)c1 ZINC000268961535 378162081 /nfs/dbraw/zinc/16/20/81/378162081.db2.gz IQJQRMWMPUDBPD-UHFFFAOYSA-N 1 1 298.361 3.082 20 30 CGEDMO C=C[C@H](CC(=O)NCCC[N@H+](C)C(C)C)c1ccccc1 ZINC000270212795 378323380 /nfs/dbraw/zinc/32/33/80/378323380.db2.gz FJTNAERRMVJZMY-MRXNPFEDSA-N 1 1 288.435 3.193 20 30 CGEDMO N#CCC[NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000583929661 378359873 /nfs/dbraw/zinc/35/98/73/378359873.db2.gz VMHSJQJYZWKRLA-CYBMUJFWSA-N 1 1 266.291 3.169 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCCC[C@H]1C1(O)CC1 ZINC000582227126 378295044 /nfs/dbraw/zinc/29/50/44/378295044.db2.gz TWNGUJVVBHWYMX-KRWDZBQOSA-N 1 1 298.430 3.367 20 30 CGEDMO CC(C)C[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000584472949 378387149 /nfs/dbraw/zinc/38/71/49/378387149.db2.gz LCSSONJSKWLPIP-OAHLLOKOSA-N 1 1 287.363 3.477 20 30 CGEDMO C#CCCC[N@@H+]1C[C@@H](c2ccccc2C)OC[C@@H]1C ZINC000271064578 378445350 /nfs/dbraw/zinc/44/53/50/378445350.db2.gz UDNNAVJPAZNVEZ-RDJZCZTQSA-N 1 1 257.377 3.170 20 30 CGEDMO C#CCCC[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000271062428 378445693 /nfs/dbraw/zinc/44/56/93/378445693.db2.gz SWAKECFZHOATTJ-AWEZNQCLSA-N 1 1 263.406 3.143 20 30 CGEDMO C#CCCC[N@@H+]1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000271087072 378450815 /nfs/dbraw/zinc/45/08/15/378450815.db2.gz ZOUVWGWIWQNVII-CZUORRHYSA-N 1 1 261.340 3.001 20 30 CGEDMO CC[N@@H+](CCc1cccs1)Cc1ccc(C#N)o1 ZINC000271104585 378451884 /nfs/dbraw/zinc/45/18/84/378451884.db2.gz ULCONYIXUPSESL-UHFFFAOYSA-N 1 1 260.362 3.277 20 30 CGEDMO Cc1[nH+]ccn1CCCOc1c(C)cc(C#N)cc1C ZINC000271188474 378476785 /nfs/dbraw/zinc/47/67/85/378476785.db2.gz FGPWFEPJAVNUEU-UHFFFAOYSA-N 1 1 269.348 3.149 20 30 CGEDMO N#Cc1ccc(C[N@H+](CCc2ccc(F)cc2)C2CC2)o1 ZINC000271186591 378477143 /nfs/dbraw/zinc/47/71/43/378477143.db2.gz NQYHWOJMOCXRCX-UHFFFAOYSA-N 1 1 284.334 3.497 20 30 CGEDMO COc1cc(C)nc(C[NH2+]C2(c3cccc(C#N)c3)CC2)c1 ZINC000272176106 378577622 /nfs/dbraw/zinc/57/76/22/378577622.db2.gz XURJKXWBQPJXRV-UHFFFAOYSA-N 1 1 293.370 3.049 20 30 CGEDMO C[C@@H](NCC[N@@H+]1CCCC[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000271964924 378532013 /nfs/dbraw/zinc/53/20/13/378532013.db2.gz VCHQAHFBMQOCCT-ZIAGYGMSSA-N 1 1 289.398 3.222 20 30 CGEDMO C[C@@H](NCC[N@H+]1CCCC[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000271964924 378532017 /nfs/dbraw/zinc/53/20/17/378532017.db2.gz VCHQAHFBMQOCCT-ZIAGYGMSSA-N 1 1 289.398 3.222 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1nc2ccccc2n1C ZINC000272233412 378591576 /nfs/dbraw/zinc/59/15/76/378591576.db2.gz FHCFHILLOPAOPM-UHFFFAOYSA-N 1 1 295.386 3.397 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1nc2ccccc2n1C ZINC000272233412 378591580 /nfs/dbraw/zinc/59/15/80/378591580.db2.gz FHCFHILLOPAOPM-UHFFFAOYSA-N 1 1 295.386 3.397 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1ccc(C#N)s1 ZINC000272548052 378663725 /nfs/dbraw/zinc/66/37/25/378663725.db2.gz CSVNEIBGIRSGPJ-UHFFFAOYSA-N 1 1 272.373 3.443 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@@H](OC)C1CCOCC1 ZINC000638093921 378697436 /nfs/dbraw/zinc/69/74/36/378697436.db2.gz GMPUHYOCPDSRSC-MRXNPFEDSA-N 1 1 269.429 3.106 20 30 CGEDMO C=CCOc1cccc(CN(C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000346686867 378674640 /nfs/dbraw/zinc/67/46/40/378674640.db2.gz UWGJCGKEZUBQLC-QGZVFWFLSA-N 1 1 276.424 3.057 20 30 CGEDMO C=CCOc1ccc(CN2CCC(C[NH3+])CC2)cc1Cl ZINC000346686897 378675485 /nfs/dbraw/zinc/67/54/85/378675485.db2.gz KSMRZCOPSMEVHZ-UHFFFAOYSA-N 1 1 294.826 3.076 20 30 CGEDMO C=CCOCCC[N@H+](C)Cc1cccc(OC(C)C)c1 ZINC000348041159 378762971 /nfs/dbraw/zinc/76/29/71/378762971.db2.gz WIYFEGOQFPPVCU-UHFFFAOYSA-N 1 1 277.408 3.498 20 30 CGEDMO N#Cc1ccccc1OCC[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000346976031 218076571 /nfs/dbraw/zinc/07/65/71/218076571.db2.gz GPILVGWNHRXQCD-QGZVFWFLSA-N 1 1 293.370 3.169 20 30 CGEDMO Cc1cnc([C@H](C)[NH2+]Cc2ccc(CC#N)cc2)s1 ZINC000348517885 378973789 /nfs/dbraw/zinc/97/37/89/378973789.db2.gz YZLQWKMEOUUISU-LBPRGKRZSA-N 1 1 271.389 3.368 20 30 CGEDMO C=CCN(Cc1ncc(C[NH+](C)C)s1)c1ccccc1 ZINC000348434157 378953305 /nfs/dbraw/zinc/95/33/05/378953305.db2.gz HKXYNHZKOGQTRE-UHFFFAOYSA-N 1 1 287.432 3.397 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cccc(F)c1N ZINC000638918451 378954578 /nfs/dbraw/zinc/95/45/78/378954578.db2.gz QIAFTZGHDWLBEE-UHFFFAOYSA-N 1 1 274.339 3.232 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000276667705 378977516 /nfs/dbraw/zinc/97/75/16/378977516.db2.gz RGMKJFPXZOCSDX-QGZVFWFLSA-N 1 1 298.430 3.124 20 30 CGEDMO Cn1cc(CNc2ccc([NH+]3CCCCC3)cc2)cc1C#N ZINC000276724780 378986534 /nfs/dbraw/zinc/98/65/34/378986534.db2.gz BZGGGDOTFWOZHJ-UHFFFAOYSA-N 1 1 294.402 3.499 20 30 CGEDMO C[C@@H]1C[C@@H](c2ccccc2)[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000348837910 379077968 /nfs/dbraw/zinc/07/79/68/379077968.db2.gz LBGVTNNAXJSRLB-KDOFPFPSSA-N 1 1 279.387 3.480 20 30 CGEDMO C=CC[C@@H]1[N@H+](Cc2ccc(CO)o2)CCCC1(C)C ZINC000278748136 194135983 /nfs/dbraw/zinc/13/59/83/194135983.db2.gz RWCJKJGNKJVDDV-HNNXBMFYSA-N 1 1 263.381 3.339 20 30 CGEDMO N#Cc1c(Cl)nsc1NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000277459525 379165315 /nfs/dbraw/zinc/16/53/15/379165315.db2.gz OVRWAQDDZWBDMW-SNVBAGLBSA-N 1 1 296.827 3.097 20 30 CGEDMO C=CCCCCC[N@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC000373293445 379256131 /nfs/dbraw/zinc/25/61/31/379256131.db2.gz NJSBETWTKJWACM-UHFFFAOYSA-N 1 1 290.407 3.174 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)[C@H](C)C1 ZINC000266558499 190266831 /nfs/dbraw/zinc/26/68/31/190266831.db2.gz WONAKSBNHVSFQL-CHWSQXEVSA-N 1 1 296.374 3.229 20 30 CGEDMO N#CCCC[N@@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000374573519 379462675 /nfs/dbraw/zinc/46/26/75/379462675.db2.gz ZUTLXZIAHBECBI-NSHDSACASA-N 1 1 260.303 3.345 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1cnc(N(C)C)nc1 ZINC000279633450 379476442 /nfs/dbraw/zinc/47/64/42/379476442.db2.gz IFKFCHUCJVDPRF-UHFFFAOYSA-N 1 1 296.418 3.121 20 30 CGEDMO C=CC[N@H+](Cc1cc(OC)c(OC)cc1C)C1CC1 ZINC000350271353 379533582 /nfs/dbraw/zinc/53/35/82/379533582.db2.gz VFAHIXCFDAEBSY-UHFFFAOYSA-N 1 1 261.365 3.163 20 30 CGEDMO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000376672529 379593329 /nfs/dbraw/zinc/59/33/29/379593329.db2.gz NVCUDPBQVMLAQS-FUHWJXTLSA-N 1 1 297.446 3.180 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C(C)(C)C1 ZINC000266939024 190292725 /nfs/dbraw/zinc/29/27/25/190292725.db2.gz PJGYDMRHOWXNBG-GFCCVEGCSA-N 1 1 296.374 3.229 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cc(-c2ccc(F)cc2)no1 ZINC000351068219 379630821 /nfs/dbraw/zinc/63/08/21/379630821.db2.gz XKXWJQXEXCTJCB-UHFFFAOYSA-N 1 1 260.312 3.489 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc2c1CCOC2 ZINC000639864093 379612379 /nfs/dbraw/zinc/61/23/79/379612379.db2.gz UQJBIVAICGQDOR-CALCHBBNSA-N 1 1 269.388 3.442 20 30 CGEDMO C=C(C)CCN1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639986646 379676159 /nfs/dbraw/zinc/67/61/59/379676159.db2.gz PWEBJHHITMDJJG-UHFFFAOYSA-N 1 1 250.430 3.293 20 30 CGEDMO C[C@H](C#N)C[N@H+](C)CCn1ccc2cc(Cl)ccc21 ZINC000351496730 379724474 /nfs/dbraw/zinc/72/44/74/379724474.db2.gz SDMKGMXCPLXBGK-GFCCVEGCSA-N 1 1 275.783 3.386 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C)CCn1ccc2cc(Cl)ccc21 ZINC000351496730 379724480 /nfs/dbraw/zinc/72/44/80/379724480.db2.gz SDMKGMXCPLXBGK-GFCCVEGCSA-N 1 1 275.783 3.386 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCc2c(F)cc(F)cc2[C@@H]1C ZINC000351741002 379742728 /nfs/dbraw/zinc/74/27/28/379742728.db2.gz QGOHORANYNRJJH-AAEUAGOBSA-N 1 1 281.346 3.211 20 30 CGEDMO CSc1ccccc1C[NH+]1CCC(F)(C#N)CC1 ZINC000352484478 379834299 /nfs/dbraw/zinc/83/42/99/379834299.db2.gz PVVCLVYAFKRWEA-UHFFFAOYSA-N 1 1 264.369 3.236 20 30 CGEDMO N#CC1(F)CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC000352484602 379834630 /nfs/dbraw/zinc/83/46/30/379834630.db2.gz RIAHTBUTHXJWHD-UHFFFAOYSA-N 1 1 269.323 3.062 20 30 CGEDMO C[C@@H]1CN(CCC(C)(C)C#N)CC[N@H+]1Cc1ccccc1 ZINC000396596030 379922593 /nfs/dbraw/zinc/92/25/93/379922593.db2.gz ZQTRHFOHVOWFGH-MRXNPFEDSA-N 1 1 285.435 3.133 20 30 CGEDMO C[C@@H]1C[N@H+](CCC(C)(C)C#N)CCN1Cc1ccccc1 ZINC000396596030 379922597 /nfs/dbraw/zinc/92/25/97/379922597.db2.gz ZQTRHFOHVOWFGH-MRXNPFEDSA-N 1 1 285.435 3.133 20 30 CGEDMO C[C@@H]1C[N@@H+](CCC(C)(C)C#N)CCN1Cc1ccccc1 ZINC000396596030 379922603 /nfs/dbraw/zinc/92/26/03/379922603.db2.gz ZQTRHFOHVOWFGH-MRXNPFEDSA-N 1 1 285.435 3.133 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@@H]2c2cccn2C)ccc1C#N ZINC000282294975 379891578 /nfs/dbraw/zinc/89/15/78/379891578.db2.gz LZEOCPMJVYVLPR-QGZVFWFLSA-N 1 1 295.386 3.242 20 30 CGEDMO C=CCCC[C@@H](C)n1cc(Cn2cc[nH+]c2CC)nn1 ZINC000641235654 379970502 /nfs/dbraw/zinc/97/05/02/379970502.db2.gz VXRUAQHGLREXQV-CYBMUJFWSA-N 1 1 273.384 3.003 20 30 CGEDMO C=C(C)C[N@H+](CCC[C@H](C)O)Cc1cnn(C(C)C)c1 ZINC000352899269 380025809 /nfs/dbraw/zinc/02/58/09/380025809.db2.gz CCZLLHNPWLWOMM-HNNXBMFYSA-N 1 1 279.428 3.003 20 30 CGEDMO C[C@H](CCC#N)[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000411430677 380146697 /nfs/dbraw/zinc/14/66/97/380146697.db2.gz WCQHIVFKAMOTTB-LLVKDONJSA-N 1 1 271.389 3.388 20 30 CGEDMO C=CCOc1cccc(CNC[C@@H]2CCC[N@H+]2CCC)c1 ZINC000353124841 380127429 /nfs/dbraw/zinc/12/74/29/380127429.db2.gz KKLLJNKNVKFQCT-KRWDZBQOSA-N 1 1 288.435 3.215 20 30 CGEDMO C=CCOc1cccc(CNC[C@@H]2CCC[N@@H+]2CCC)c1 ZINC000353124841 380127434 /nfs/dbraw/zinc/12/74/34/380127434.db2.gz KKLLJNKNVKFQCT-KRWDZBQOSA-N 1 1 288.435 3.215 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1c(F)cncc1F ZINC000353124143 380127807 /nfs/dbraw/zinc/12/78/07/380127807.db2.gz YCKXUOWLLNRQNR-JTQLQIEISA-N 1 1 273.286 3.082 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)[C@@H](C)c1nc(CC)no1 ZINC000411202941 380133644 /nfs/dbraw/zinc/13/36/44/380133644.db2.gz WFGYCTHLUZPGMQ-AWEZNQCLSA-N 1 1 285.391 3.424 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)[C@@H](C)c1nc(CC)no1 ZINC000411202941 380133654 /nfs/dbraw/zinc/13/36/54/380133654.db2.gz WFGYCTHLUZPGMQ-AWEZNQCLSA-N 1 1 285.391 3.424 20 30 CGEDMO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2ccccc2C#N)C1(C)C ZINC000353936170 380244797 /nfs/dbraw/zinc/24/47/97/380244797.db2.gz YSTHMRUHMCDYBX-RDJZCZTQSA-N 1 1 272.392 3.194 20 30 CGEDMO CCC[N@@H+]1CCC[C@@H]1CN[C@H]1CCc2ccc(C#N)cc21 ZINC000353582555 380213586 /nfs/dbraw/zinc/21/35/86/380213586.db2.gz SKGHKJXULHLJDJ-AEFFLSMTSA-N 1 1 283.419 3.010 20 30 CGEDMO CCC[N@H+]1CCC[C@@H]1CN[C@H]1CCc2ccc(C#N)cc21 ZINC000353582555 380213593 /nfs/dbraw/zinc/21/35/93/380213593.db2.gz SKGHKJXULHLJDJ-AEFFLSMTSA-N 1 1 283.419 3.010 20 30 CGEDMO N#CCCCOc1cccc(C[N@H+]2CCC23CCC3)c1 ZINC000353655353 380218583 /nfs/dbraw/zinc/21/85/83/380218583.db2.gz ORUHVMQOHCFTHM-UHFFFAOYSA-N 1 1 270.376 3.498 20 30 CGEDMO Cc1ccc(C[N@@H+](C)CC(C)(C)C#N)c(-c2cnn(C)c2)c1 ZINC000354035829 380292372 /nfs/dbraw/zinc/29/23/72/380292372.db2.gz FRDGICKOKMARFU-UHFFFAOYSA-N 1 1 296.418 3.377 20 30 CGEDMO CC[N@@H+](Cc1cnc2ccc(C#N)cn12)C1CC(C)(C)C1 ZINC000414541017 380309523 /nfs/dbraw/zinc/30/95/23/380309523.db2.gz VLJWMAROIVOVIY-UHFFFAOYSA-N 1 1 282.391 3.216 20 30 CGEDMO C=CCOc1ccc(C[N@H+](CC)[C@@H](C)CO)cc1Cl ZINC000354437331 380437359 /nfs/dbraw/zinc/43/73/59/380437359.db2.gz RLGBSQCBFFMYFE-LBPRGKRZSA-N 1 1 283.799 3.108 20 30 CGEDMO C=CCOCC[N@H+](CCC)Cc1ccccc1F ZINC000645080609 380574031 /nfs/dbraw/zinc/57/40/31/380574031.db2.gz RTGCEXUYODMSRG-UHFFFAOYSA-N 1 1 251.345 3.240 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC000645246764 380631393 /nfs/dbraw/zinc/63/13/93/380631393.db2.gz FOGSUUMWBYVNDV-JKSUJKDBSA-N 1 1 253.430 3.462 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@H](C(C)(C)C)C2)cc1C#N ZINC000355650441 380737657 /nfs/dbraw/zinc/73/76/57/380737657.db2.gz ATUKKHIWTHABRI-AWEZNQCLSA-N 1 1 259.397 3.155 20 30 CGEDMO C=CCOCCC[N@@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC000420933255 380862752 /nfs/dbraw/zinc/86/27/52/380862752.db2.gz WAYKFSKLZCSWAJ-HUUCEWRRSA-N 1 1 297.439 3.021 20 30 CGEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000646116736 380838591 /nfs/dbraw/zinc/83/85/91/380838591.db2.gz DDGDGYNGOXUBBA-NVXWUHKLSA-N 1 1 296.414 3.070 20 30 CGEDMO C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCC[N@@H+]1CC1(C#N)CCC1 ZINC000420930016 380862176 /nfs/dbraw/zinc/86/21/76/380862176.db2.gz RPFLLFJKDZPTND-ZIAGYGMSSA-N 1 1 292.423 3.122 20 30 CGEDMO C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCC[N@H+]1CC1(C#N)CCC1 ZINC000420930016 380862187 /nfs/dbraw/zinc/86/21/87/380862187.db2.gz RPFLLFJKDZPTND-ZIAGYGMSSA-N 1 1 292.423 3.122 20 30 CGEDMO CCC(C)(C)[N@@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000348310173 218566552 /nfs/dbraw/zinc/56/65/52/218566552.db2.gz WBBYUHLDAQWPBK-INIZCTEOSA-N 1 1 299.418 3.174 20 30 CGEDMO CC(C)OCCC[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000357308234 381100080 /nfs/dbraw/zinc/10/00/80/381100080.db2.gz PMQRLZMRIJDIJB-UHFFFAOYSA-N 1 1 290.407 3.074 20 30 CGEDMO C=C[C@H](C)[NH2+][C@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000358306307 381304203 /nfs/dbraw/zinc/30/42/03/381304203.db2.gz ULDLUCURYKGQFE-QWHCGFSZSA-N 1 1 270.380 3.109 20 30 CGEDMO C[C@H](C#N)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000357834683 381285103 /nfs/dbraw/zinc/28/51/03/381285103.db2.gz RKWOFBXMYZIJLQ-UONOGXRCSA-N 1 1 285.391 3.017 20 30 CGEDMO C=C(CC)CN1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000358621121 381319192 /nfs/dbraw/zinc/31/91/92/381319192.db2.gz RZBJBJDLSFVWQG-XHSDSOJGSA-N 1 1 250.430 3.290 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000360116123 381452588 /nfs/dbraw/zinc/45/25/88/381452588.db2.gz QFSQANZYCDYRQI-CYBMUJFWSA-N 1 1 260.768 3.444 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cncc(C(F)(F)F)c1 ZINC000361289593 381678500 /nfs/dbraw/zinc/67/85/00/381678500.db2.gz QCZHDSZJLYHYBY-UHFFFAOYSA-N 1 1 256.271 3.274 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000361446836 381750816 /nfs/dbraw/zinc/75/08/16/381750816.db2.gz FZLLOQSJFITRPK-HNNXBMFYSA-N 1 1 292.810 3.143 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CC[C@@H](C)C1 ZINC000361639411 381848910 /nfs/dbraw/zinc/84/89/10/381848910.db2.gz ONGFPHLPPGVROM-CHWSQXEVSA-N 1 1 278.421 3.257 20 30 CGEDMO CC(C)[C@H]1C[N@H+](Cc2cn3ccccc3c2C#N)CCS1 ZINC000362384385 381966379 /nfs/dbraw/zinc/96/63/79/381966379.db2.gz FFBAXSKSFMPTHG-QGZVFWFLSA-N 1 1 299.443 3.384 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](Cc2cn3ccccc3c2C#N)CCS1 ZINC000362384385 381966386 /nfs/dbraw/zinc/96/63/86/381966386.db2.gz FFBAXSKSFMPTHG-QGZVFWFLSA-N 1 1 299.443 3.384 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000362301054 381935191 /nfs/dbraw/zinc/93/51/91/381935191.db2.gz PTIZTDQIDXYUHH-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](O)CC23CCC3)c(Cl)c1 ZINC000334965328 207374202 /nfs/dbraw/zinc/37/42/02/207374202.db2.gz AVDQUKGFXZBFII-AWEZNQCLSA-N 1 1 290.794 3.091 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000366777930 382318338 /nfs/dbraw/zinc/31/83/38/382318338.db2.gz AZPTZTWRVJQUHP-NVXWUHKLSA-N 1 1 290.382 3.043 20 30 CGEDMO C=CCOC(=O)c1ccc(C[N@H+](CC)CCC)cc1 ZINC000741334403 572493484 /nfs/dbraw/zinc/49/34/84/572493484.db2.gz LHQUVCHXSFXBBC-UHFFFAOYSA-N 1 1 261.365 3.261 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cn3ccccc3c2C#N)C(C)(C)C1 ZINC000350338608 219009902 /nfs/dbraw/zinc/00/99/02/219009902.db2.gz ZBSNAABPPSFUIJ-CYBMUJFWSA-N 1 1 267.376 3.431 20 30 CGEDMO COCCc1cc[nH+]c(N[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000287297380 196825764 /nfs/dbraw/zinc/82/57/64/196825764.db2.gz DKNOHPDYMPEMSG-ZDUSSCGKSA-N 1 1 281.359 3.315 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(F)cn1)c1ccc(C#N)cc1F ZINC000358587440 533445702 /nfs/dbraw/zinc/44/57/02/533445702.db2.gz KCLHTCXCBKZJGU-SNVBAGLBSA-N 1 1 273.286 3.082 20 30 CGEDMO Cc1cc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)ccc1C#N ZINC000411926529 533631379 /nfs/dbraw/zinc/63/13/79/533631379.db2.gz PVZBJIPHIWHERG-RBUKOAKNSA-N 1 1 292.382 3.175 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)s1)CC1(O)CCCCCC1 ZINC000190141882 130065616 /nfs/dbraw/zinc/06/56/16/130065616.db2.gz NHJTXGTUFCTDLO-UHFFFAOYSA-N 1 1 278.421 3.137 20 30 CGEDMO CCOC1CC2(C1)CC[N@@H+](CC#Cc1ccc(F)cc1)C2 ZINC000285502665 392325156 /nfs/dbraw/zinc/32/51/56/392325156.db2.gz NHVQRXMZILARIF-UHFFFAOYSA-N 1 1 287.378 3.068 20 30 CGEDMO C=CCC[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000286234419 392379269 /nfs/dbraw/zinc/37/92/69/392379269.db2.gz ZHXFYUPZPLEWDR-ZACQAIPSSA-N 1 1 257.377 3.067 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1cnc([C@H](C)O)s1 ZINC000290549266 392451121 /nfs/dbraw/zinc/45/11/21/392451121.db2.gz ZAGOFTWOBVMFHC-LBPRGKRZSA-N 1 1 292.404 3.020 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cnc([C@H](C)O)s1 ZINC000290549266 392451127 /nfs/dbraw/zinc/45/11/27/392451127.db2.gz ZAGOFTWOBVMFHC-LBPRGKRZSA-N 1 1 292.404 3.020 20 30 CGEDMO C=CCCCCC[N@@H+](C)[C@@H](C)c1nnc(CC)o1 ZINC000150881121 392482125 /nfs/dbraw/zinc/48/21/25/392482125.db2.gz ILKCCUFPGUZTMT-LBPRGKRZSA-N 1 1 251.374 3.371 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H](C)c1nnc(CC)o1 ZINC000150881121 392482129 /nfs/dbraw/zinc/48/21/29/392482129.db2.gz ILKCCUFPGUZTMT-LBPRGKRZSA-N 1 1 251.374 3.371 20 30 CGEDMO C[C@@H](CCNc1ccc(C#N)cn1)[N@@H+](C)Cc1ccccc1 ZINC000301478093 392592355 /nfs/dbraw/zinc/59/23/55/392592355.db2.gz PXMWZJQZTOJWDB-HNNXBMFYSA-N 1 1 294.402 3.276 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000374014436 392667016 /nfs/dbraw/zinc/66/70/16/392667016.db2.gz NXXWPFXNRROFLV-IKGGRYGDSA-N 1 1 281.440 3.391 20 30 CGEDMO CCCCO[C@H]1C[C@@H]([N@@H+](C)CCCC#N)C1(C)C ZINC000177734859 392667708 /nfs/dbraw/zinc/66/77/08/392667708.db2.gz ULWTWZYCGKHZLN-KGLIPLIRSA-N 1 1 252.402 3.206 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000374179506 392671309 /nfs/dbraw/zinc/67/13/09/392671309.db2.gz UCKDDDLNXYSNOR-SCUASFONSA-N 1 1 257.805 3.000 20 30 CGEDMO C=C(C)C[N@@H+](C)CCCc1nc(-c2ccccc2)no1 ZINC000181271017 392725462 /nfs/dbraw/zinc/72/54/62/392725462.db2.gz JGIALXVHVRDUTR-UHFFFAOYSA-N 1 1 271.364 3.177 20 30 CGEDMO C=CC[N@@H+](CCCn1ccnc1)CCc1ccccc1 ZINC000183168410 392754114 /nfs/dbraw/zinc/75/41/14/392754114.db2.gz ZMKLUDATNKIZDF-UHFFFAOYSA-N 1 1 269.392 3.004 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000186255035 392780849 /nfs/dbraw/zinc/78/08/49/392780849.db2.gz DYCUKHXWIQXQLD-QGZVFWFLSA-N 1 1 282.343 3.033 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000186255035 392780852 /nfs/dbraw/zinc/78/08/52/392780852.db2.gz DYCUKHXWIQXQLD-QGZVFWFLSA-N 1 1 282.343 3.033 20 30 CGEDMO CSC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1C ZINC000186260673 392780891 /nfs/dbraw/zinc/78/08/91/392780891.db2.gz FKVQMIIKRNAVKG-HNNXBMFYSA-N 1 1 260.406 3.194 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCSC[C@H](C)C1 ZINC000190401401 392815914 /nfs/dbraw/zinc/81/59/14/392815914.db2.gz HHZOFJBXYKXKMD-GFCCVEGCSA-N 1 1 260.406 3.052 20 30 CGEDMO C[C@H]([NH2+][C@H]1COc2ccc(F)cc21)c1ccc(C#N)cc1 ZINC000335973744 392826094 /nfs/dbraw/zinc/82/60/94/392826094.db2.gz IAOYXJOXUIXSSY-ZBEGNZNMSA-N 1 1 282.318 3.482 20 30 CGEDMO C=CCOCCC[N@H+]1CCC(C)=C(c2ccco2)C1 ZINC000338344113 392911336 /nfs/dbraw/zinc/91/13/36/392911336.db2.gz PFBHTYHBHFRLER-UHFFFAOYSA-N 1 1 261.365 3.352 20 30 CGEDMO CC(C)CSCCC[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000338381562 392914604 /nfs/dbraw/zinc/91/46/04/392914604.db2.gz NTTVWCHXJUKERS-CYBMUJFWSA-N 1 1 254.443 3.390 20 30 CGEDMO C[C@H]1[C@@H](Nc2cc(C#N)ccc2C(F)(F)F)CCC[N@H+]1C ZINC000513023623 392851794 /nfs/dbraw/zinc/85/17/94/392851794.db2.gz KIXOFCQECGCKQQ-GWCFXTLKSA-N 1 1 297.324 3.472 20 30 CGEDMO C=CCOCC[N@@H+]1CCS[C@H](C)[C@H]1c1ccccc1 ZINC000339002843 392939498 /nfs/dbraw/zinc/93/94/98/392939498.db2.gz LQTYGZTXYCRNHF-ZBFHGGJFSA-N 1 1 277.433 3.368 20 30 CGEDMO C=CCOCC[N@@H+]1C[C@H](c2ccccc2C)C[C@H]1C ZINC000339002910 392939753 /nfs/dbraw/zinc/93/97/53/392939753.db2.gz JTEWQESTZLKAQO-HZPDHXFCSA-N 1 1 259.393 3.375 20 30 CGEDMO C=CCOCC[N@@H+](C[C@H]1CCCO1)C1CCC(C)CC1 ZINC000339005908 392939827 /nfs/dbraw/zinc/93/98/27/392939827.db2.gz HAUFARPOLPCTLD-OFLPRAFFSA-N 1 1 281.440 3.249 20 30 CGEDMO Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)CCOCCC#N)cc1 ZINC000339006694 392939995 /nfs/dbraw/zinc/93/99/95/392939995.db2.gz ZMPPCSMCGXXNFQ-ROUUACIJSA-N 1 1 286.419 3.493 20 30 CGEDMO C=CCOCC[N@H+]1[C@@H](C)Cc2cc(OC)ccc2[C@@H]1C ZINC000339080754 392946131 /nfs/dbraw/zinc/94/61/31/392946131.db2.gz NDXAXAJELONSNL-KBPBESRZSA-N 1 1 275.392 3.205 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)cc1F ZINC000404051972 392963145 /nfs/dbraw/zinc/96/31/45/392963145.db2.gz FNRLSGRYUIJXAV-BBRMVZONSA-N 1 1 258.340 3.462 20 30 CGEDMO C=CCCCC(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000412701555 393007770 /nfs/dbraw/zinc/00/77/70/393007770.db2.gz UGZAUHMRDJLFTO-MRXNPFEDSA-N 1 1 286.419 3.076 20 30 CGEDMO C=CCCCC(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000412701555 393007774 /nfs/dbraw/zinc/00/77/74/393007774.db2.gz UGZAUHMRDJLFTO-MRXNPFEDSA-N 1 1 286.419 3.076 20 30 CGEDMO CC[N@H+](CC1(C#N)CC1)[C@@H](C)c1cccc(OC)c1 ZINC000343146027 393019249 /nfs/dbraw/zinc/01/92/49/393019249.db2.gz XXADQUGIZPJOPP-ZDUSSCGKSA-N 1 1 258.365 3.382 20 30 CGEDMO CC[N@@H+](CC1(C#N)CC1)[C@@H](C)c1cccc(OC)c1 ZINC000343146027 393019253 /nfs/dbraw/zinc/01/92/53/393019253.db2.gz XXADQUGIZPJOPP-ZDUSSCGKSA-N 1 1 258.365 3.382 20 30 CGEDMO CCC[N@@H+](C)C[C@H]1CCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000245434946 393040844 /nfs/dbraw/zinc/04/08/44/393040844.db2.gz QAWNPIAHDHKHSF-NVXWUHKLSA-N 1 1 285.435 3.283 20 30 CGEDMO Cc1cc(C[N@@H+](C)C[C@H](C)C#N)cc2cccnc12 ZINC000346174014 393077980 /nfs/dbraw/zinc/07/79/80/393077980.db2.gz CITOJWBEMYAIOA-GFCCVEGCSA-N 1 1 253.349 3.135 20 30 CGEDMO Cc1cc(C[N@H+](C)C[C@H](C)C#N)cc2cccnc12 ZINC000346174014 393077983 /nfs/dbraw/zinc/07/79/83/393077983.db2.gz CITOJWBEMYAIOA-GFCCVEGCSA-N 1 1 253.349 3.135 20 30 CGEDMO C[N@H+](Cc1ccc(Br)cc1)CC1(C#N)CC1 ZINC000258885384 393137931 /nfs/dbraw/zinc/13/79/31/393137931.db2.gz JJGLCZDLMZKEIK-UHFFFAOYSA-N 1 1 279.181 3.185 20 30 CGEDMO C[N@@H+](Cc1ccc(Br)cc1)CC1(C#N)CC1 ZINC000258885384 393137934 /nfs/dbraw/zinc/13/79/34/393137934.db2.gz JJGLCZDLMZKEIK-UHFFFAOYSA-N 1 1 279.181 3.185 20 30 CGEDMO CC#CC[N@H+]1CCC[C@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000349368603 393146869 /nfs/dbraw/zinc/14/68/69/393146869.db2.gz KAGDGTCXYSDEIL-HNNXBMFYSA-N 1 1 286.423 3.055 20 30 CGEDMO C=CCCC(=O)N1c2ccc(C)cc2[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000263682521 393153386 /nfs/dbraw/zinc/15/33/86/393153386.db2.gz PCEKIMLYDQETEK-WBVHZDCISA-N 1 1 284.403 3.096 20 30 CGEDMO C[C@H](NCC[N@@H+]1CCC[C@@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000271906979 393255127 /nfs/dbraw/zinc/25/51/27/393255127.db2.gz CLSVGNJBJFAFOH-KGLIPLIRSA-N 1 1 289.398 3.080 20 30 CGEDMO C[C@H](NCC[N@H+]1CCC[C@@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000271906979 393255129 /nfs/dbraw/zinc/25/51/29/393255129.db2.gz CLSVGNJBJFAFOH-KGLIPLIRSA-N 1 1 289.398 3.080 20 30 CGEDMO C=CCCc1ccccc1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648891997 393285021 /nfs/dbraw/zinc/28/50/21/393285021.db2.gz ISPAYWUQJUVEBG-UKRRQHHQSA-N 1 1 272.392 3.084 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)CC1=CCCOC1 ZINC000279648191 393334587 /nfs/dbraw/zinc/33/45/87/393334587.db2.gz KEFZBMSWEPRCFX-UHFFFAOYSA-N 1 1 257.377 3.411 20 30 CGEDMO Cc1cc(C[N@H+]2CCOCC23CCCC3)ccc1C#N ZINC000488143877 393464025 /nfs/dbraw/zinc/46/40/25/393464025.db2.gz SFCNORNFEXAZSD-UHFFFAOYSA-N 1 1 270.376 3.012 20 30 CGEDMO Cc1cc(C[N@H+](C(C)C)C2CCOCC2)ccc1C#N ZINC000488250081 393474469 /nfs/dbraw/zinc/47/44/69/393474469.db2.gz ZWFMBIHDWYNRBB-UHFFFAOYSA-N 1 1 272.392 3.256 20 30 CGEDMO C[C@@H]1CC[C@H]([N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000429559654 393479692 /nfs/dbraw/zinc/47/96/92/393479692.db2.gz LVKYDNLGJNTUME-DOMZBBRYSA-N 1 1 296.374 3.229 20 30 CGEDMO C=CCC1(C(=O)NCC[N@H+](C)C2CCCCC2)CCC1 ZINC000359333384 393543369 /nfs/dbraw/zinc/54/33/69/393543369.db2.gz OKWLAWMBCHWCMX-UHFFFAOYSA-N 1 1 278.440 3.114 20 30 CGEDMO CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1ccc(C#N)cc1OC ZINC000357556522 393511494 /nfs/dbraw/zinc/51/14/94/393511494.db2.gz UXMXYBDINMWTAJ-IUODEOHRSA-N 1 1 258.365 3.330 20 30 CGEDMO Cc1cc(CN2CCC[N@H+](C3CCCC3)CC2)ccc1C#N ZINC000488446590 393517674 /nfs/dbraw/zinc/51/76/74/393517674.db2.gz UKZPKSPJHCUPJE-UHFFFAOYSA-N 1 1 297.446 3.317 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000359071580 393534565 /nfs/dbraw/zinc/53/45/65/393534565.db2.gz LNUOSSYGCNHOMB-RDJZCZTQSA-N 1 1 286.419 3.294 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](c2nc(C)no2)C1 ZINC000359505247 393550312 /nfs/dbraw/zinc/55/03/12/393550312.db2.gz FSISOECTULKPNN-TZMCWYRMSA-N 1 1 263.385 3.302 20 30 CGEDMO C=CCOc1cccc(C[N@H+](C(C)C)[C@H]2CCOC2)c1 ZINC000361054038 393656907 /nfs/dbraw/zinc/65/69/07/393656907.db2.gz SUWMTKVXJAMBIH-INIZCTEOSA-N 1 1 275.392 3.251 20 30 CGEDMO CC[C@H](N[C@@H](C[NH3+])C1CCCC1)c1ccc(C#N)cc1 ZINC000423499225 393672391 /nfs/dbraw/zinc/67/23/91/393672391.db2.gz IZKBHECXLHQHOC-IRXDYDNUSA-N 1 1 271.408 3.116 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)Cc1ccc(C)cn1 ZINC000491622787 393696626 /nfs/dbraw/zinc/69/66/26/393696626.db2.gz FOOCZVXAOVFFMQ-UHFFFAOYSA-N 1 1 250.345 3.025 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(C)cn1 ZINC000491622787 393696633 /nfs/dbraw/zinc/69/66/33/393696633.db2.gz FOOCZVXAOVFFMQ-UHFFFAOYSA-N 1 1 250.345 3.025 20 30 CGEDMO CC(=O)c1ccc(C#N)c(NCC[N@H+]2CCCC(C)(C)C2)c1 ZINC000443970074 393779417 /nfs/dbraw/zinc/77/94/17/393779417.db2.gz ZLBUSQLZBPCRJU-UHFFFAOYSA-N 1 1 299.418 3.295 20 30 CGEDMO CC(C)C[C@@H](C)[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000445452648 393794851 /nfs/dbraw/zinc/79/48/51/393794851.db2.gz FLWIBGSMIHLCBA-PBHICJAKSA-N 1 1 272.392 3.366 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)s1 ZINC000449449816 393882653 /nfs/dbraw/zinc/88/26/53/393882653.db2.gz FBUCQTXVNQYNCE-BZUAXINKSA-N 1 1 290.432 3.135 20 30 CGEDMO COc1ccc(C[N@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)cc1C#N ZINC000449545659 393894238 /nfs/dbraw/zinc/89/42/38/393894238.db2.gz ZEYQWWLXCISBGL-FUHWJXTLSA-N 1 1 282.387 3.187 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCSC[C@@H]2C2CC2)c1F ZINC000451647141 394047137 /nfs/dbraw/zinc/04/71/37/394047137.db2.gz HVRZPEGZOAAFJY-CQSZACIVSA-N 1 1 276.380 3.025 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCSC[C@@H]2C2CC2)c1F ZINC000451647141 394047139 /nfs/dbraw/zinc/04/71/39/394047139.db2.gz HVRZPEGZOAAFJY-CQSZACIVSA-N 1 1 276.380 3.025 20 30 CGEDMO CC1(C)C[C@H](O)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000451811504 394047538 /nfs/dbraw/zinc/04/75/38/394047538.db2.gz PARWSLVICKADSY-OAHLLOKOSA-N 1 1 291.822 3.174 20 30 CGEDMO CC1(C)C[C@H](O)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000451811504 394047542 /nfs/dbraw/zinc/04/75/42/394047542.db2.gz PARWSLVICKADSY-OAHLLOKOSA-N 1 1 291.822 3.174 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(O[C@H](C)COC)cc1 ZINC000667473527 542873133 /nfs/dbraw/zinc/87/31/33/542873133.db2.gz MSOYRMDKRWKNGQ-OAHLLOKOSA-N 1 1 277.408 3.498 20 30 CGEDMO C=CC[N@H+](CCCOC(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000171500415 335067358 /nfs/dbraw/zinc/06/73/58/335067358.db2.gz FOODKKIRENILGU-UHFFFAOYSA-N 1 1 292.379 3.398 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCO[C@@](C)(C3CC3)C2)c1 ZINC000668463482 543015990 /nfs/dbraw/zinc/01/59/90/543015990.db2.gz RAVPPIJLEKATBF-GOSISDBHSA-N 1 1 287.403 3.252 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000668493774 543020339 /nfs/dbraw/zinc/02/03/39/543020339.db2.gz RHJJKAVYHZBTJA-OAHLLOKOSA-N 1 1 272.392 3.433 20 30 CGEDMO C=CC[C@H](C)[C@H](C)[NH2+]CCc1ccc2cn[nH]c2c1 ZINC000671301797 543168141 /nfs/dbraw/zinc/16/81/41/543168141.db2.gz PSPDWVLOMDIICP-STQMWFEESA-N 1 1 257.381 3.296 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cccs1 ZINC000352890762 397686207 /nfs/dbraw/zinc/68/62/07/397686207.db2.gz AJPIWLPRVVYYTL-UHFFFAOYSA-N 1 1 277.389 3.412 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cccs1 ZINC000352890762 397686208 /nfs/dbraw/zinc/68/62/08/397686208.db2.gz AJPIWLPRVVYYTL-UHFFFAOYSA-N 1 1 277.389 3.412 20 30 CGEDMO Cc1ccc(N[C@H](C)C[N@@H+](C)Cc2ccccc2)nc1C#N ZINC000302739036 292161997 /nfs/dbraw/zinc/16/19/97/292161997.db2.gz BYJDPGKRDBEHEM-OAHLLOKOSA-N 1 1 294.402 3.194 20 30 CGEDMO COCC#CC[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000677133168 543435769 /nfs/dbraw/zinc/43/57/69/543435769.db2.gz KUFRIQBQKLWWEI-FQEVSTJZSA-N 1 1 291.394 3.284 20 30 CGEDMO COCC#CC[N@@H+](C)[C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000677820538 543467793 /nfs/dbraw/zinc/46/77/93/543467793.db2.gz QKFZISSTMPLPET-UONOGXRCSA-N 1 1 279.811 3.414 20 30 CGEDMO CC[N@@H+](CC#CCOC)Cc1ccc2ccccc2c1 ZINC000677818825 543468311 /nfs/dbraw/zinc/46/83/11/543468311.db2.gz WOFGKFPSSQAWBP-UHFFFAOYSA-N 1 1 267.372 3.312 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@@H](C)C(C)(C)C)cc1C#N ZINC000087833321 287085929 /nfs/dbraw/zinc/08/59/29/287085929.db2.gz OMMYHQBUWOGMNA-LBPRGKRZSA-N 1 1 260.381 3.433 20 30 CGEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(O)c2)CC2CC2)o1 ZINC000092670663 165306333 /nfs/dbraw/zinc/30/63/33/165306333.db2.gz GGWICTJMVDQDCU-UHFFFAOYSA-N 1 1 282.343 3.269 20 30 CGEDMO C[C@@]12CC[N@H+](Cc3ccc(C#N)o3)C[C@@H]1C2(Cl)Cl ZINC000284485332 196066258 /nfs/dbraw/zinc/06/62/58/196066258.db2.gz WQFKCGOQOLILMH-NWDGAFQWSA-N 1 1 285.174 3.167 20 30 CGEDMO C[C@@]12CC[N@@H+](Cc3ccc(C#N)o3)C[C@@H]1C2(Cl)Cl ZINC000284485332 196066259 /nfs/dbraw/zinc/06/62/59/196066259.db2.gz WQFKCGOQOLILMH-NWDGAFQWSA-N 1 1 285.174 3.167 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000020266596 171123574 /nfs/dbraw/zinc/12/35/74/171123574.db2.gz PKXKRGSSKIRAHZ-UHFFFAOYSA-N 1 1 254.308 3.329 20 30 CGEDMO CC[C@H]1CCC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000035238526 172076475 /nfs/dbraw/zinc/07/64/75/172076475.db2.gz XIBKLCAJLVBYIJ-AWEZNQCLSA-N 1 1 258.365 3.059 20 30 CGEDMO CSCC[C@H](C)[N@@H+](C)Cc1cn2ccccc2c1C#N ZINC000126436754 287264862 /nfs/dbraw/zinc/26/48/62/287264862.db2.gz CTRWKMUUXFBYJK-ZDUSSCGKSA-N 1 1 287.432 3.384 20 30 CGEDMO N#CCCCC[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000084134079 416496061 /nfs/dbraw/zinc/49/60/61/416496061.db2.gz XVHQUSNAWLKJBD-KRWDZBQOSA-N 1 1 272.392 3.014 20 30 CGEDMO COCC#CC[N@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000679221037 543601599 /nfs/dbraw/zinc/60/15/99/543601599.db2.gz PLARBLXDEWBGCN-HNNXBMFYSA-N 1 1 275.367 3.045 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000681404505 543786647 /nfs/dbraw/zinc/78/66/47/543786647.db2.gz RTBKHUWYJUGUET-KRWDZBQOSA-N 1 1 258.409 3.159 20 30 CGEDMO CCC#C[C@@H](C)[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000681467110 543789132 /nfs/dbraw/zinc/78/91/32/543789132.db2.gz CONPCLPNSJDWIT-CXAGYDPISA-N 1 1 285.366 3.040 20 30 CGEDMO N#Cc1ccc(C[NH2+]C2(c3ccccc3F)CC2)cc1 ZINC000130528268 287357619 /nfs/dbraw/zinc/35/76/19/287357619.db2.gz JYCFKIYKYDMUJI-UHFFFAOYSA-N 1 1 266.319 3.476 20 30 CGEDMO N#CC1(CC[N@@H+]2CC[C@H](O)C23CCCC3)CCCCC1 ZINC000334645891 225251572 /nfs/dbraw/zinc/25/15/72/225251572.db2.gz QDICVCQKGBIPCA-HNNXBMFYSA-N 1 1 276.424 3.230 20 30 CGEDMO CC(C)C[N@@H+]1CCCC[C@@H]1CNCc1cc(C#N)cs1 ZINC000130881131 287365906 /nfs/dbraw/zinc/36/59/06/287365906.db2.gz BDIRZNZLCCDMBU-OAHLLOKOSA-N 1 1 291.464 3.220 20 30 CGEDMO CC(C)C[N@H+]1CCCC[C@@H]1CNCc1cc(C#N)cs1 ZINC000130881131 287365908 /nfs/dbraw/zinc/36/59/08/287365908.db2.gz BDIRZNZLCCDMBU-OAHLLOKOSA-N 1 1 291.464 3.220 20 30 CGEDMO C=CC[C@@H]1N(C(=O)[C@H](C)Cc2cnc[nH]2)CCCC1(C)C ZINC000655034330 419016161 /nfs/dbraw/zinc/01/61/61/419016161.db2.gz YCXYXRKDYCFZBS-HIFRSBDPSA-N 1 1 289.423 3.182 20 30 CGEDMO C=CCCn1cc(C[N@H+](C)CCC2CCCCC2)nn1 ZINC000653535450 419044024 /nfs/dbraw/zinc/04/40/24/419044024.db2.gz RQUDBCVPWJRBCV-UHFFFAOYSA-N 1 1 276.428 3.256 20 30 CGEDMO C=CCCn1cc(C[N@@H+](C)CCC2CCCCC2)nn1 ZINC000653535450 419044027 /nfs/dbraw/zinc/04/40/27/419044027.db2.gz RQUDBCVPWJRBCV-UHFFFAOYSA-N 1 1 276.428 3.256 20 30 CGEDMO C=CCCn1cc(C[N@H+]([C@@H](C)[C@H](C)CC)C2CC2)nn1 ZINC000653547388 419044837 /nfs/dbraw/zinc/04/48/37/419044837.db2.gz JJJJTKHRBRTWGW-KGLIPLIRSA-N 1 1 276.428 3.253 20 30 CGEDMO C=CCCn1cc(C[N@H+]([C@H](C)[C@H](C)CC)C2CC2)nn1 ZINC000653547390 419045435 /nfs/dbraw/zinc/04/54/35/419045435.db2.gz JJJJTKHRBRTWGW-ZIAGYGMSSA-N 1 1 276.428 3.253 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)N2c1[nH+]cnc2[nH]c(C)c(C)c21 ZINC000664577024 418980828 /nfs/dbraw/zinc/98/08/28/418980828.db2.gz ORMDHHLBWDGIDL-BETUJISGSA-N 1 1 268.364 3.262 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@]2(C)CCCc3ccccc32)nn1 ZINC000653579226 419052914 /nfs/dbraw/zinc/05/29/14/419052914.db2.gz UCCMAAASOHCHCZ-GOSISDBHSA-N 1 1 296.418 3.196 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CCCC[C@@H]2CCC)nn1 ZINC000653617023 419061145 /nfs/dbraw/zinc/06/11/45/419061145.db2.gz SONICTJFCCGXOO-HNNXBMFYSA-N 1 1 262.401 3.009 20 30 CGEDMO C=CCC[N@@H+](C)CCCC(=O)Nc1ccccc1C(C)=O ZINC000653636207 419063676 /nfs/dbraw/zinc/06/36/76/419063676.db2.gz WGYJISRZCXXLCU-UHFFFAOYSA-N 1 1 288.391 3.116 20 30 CGEDMO C=CC[N@H+](CCCCC1CCOCC1)[C@H](C)COC ZINC000661239342 419243030 /nfs/dbraw/zinc/24/30/30/419243030.db2.gz FXAWZAUMECUGSW-OAHLLOKOSA-N 1 1 269.429 3.106 20 30 CGEDMO C=CC[N@H+](CCc1cccc(F)c1F)[C@@H](C)COC ZINC000661240637 419243092 /nfs/dbraw/zinc/24/30/92/419243092.db2.gz PJJSHEXSYLGDIC-LBPRGKRZSA-N 1 1 269.335 3.030 20 30 CGEDMO C=CC[N@H+](CCCCC(F)(F)F)[C@H](C)COC ZINC000661240122 419243623 /nfs/dbraw/zinc/24/36/23/419243623.db2.gz LXOVHZHAMCOACK-LLVKDONJSA-N 1 1 253.308 3.242 20 30 CGEDMO C=CC[N@H+](Cc1coc(-c2ccccc2)n1)[C@@H](C)COC ZINC000661247094 419244201 /nfs/dbraw/zinc/24/42/01/419244201.db2.gz MHQFLVUULXELFP-AWEZNQCLSA-N 1 1 286.375 3.365 20 30 CGEDMO C=CC[N@@H+](Cc1coc(-c2ccccc2)n1)[C@@H](C)COC ZINC000661247094 419244203 /nfs/dbraw/zinc/24/42/03/419244203.db2.gz MHQFLVUULXELFP-AWEZNQCLSA-N 1 1 286.375 3.365 20 30 CGEDMO C=CC[N@@H+](Cc1cc(-c2ccccc2)no1)[C@H](C)COC ZINC000661244601 419244745 /nfs/dbraw/zinc/24/47/45/419244745.db2.gz WICKIPIUCUDAEO-CQSZACIVSA-N 1 1 286.375 3.365 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](CCCCCn2cccn2)C1 ZINC000661381261 419255157 /nfs/dbraw/zinc/25/51/57/419255157.db2.gz YTNYCHKQVPBTBA-INIZCTEOSA-N 1 1 261.413 3.342 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@@H](C)c2nc(-c3cccnc3)no2)C1 ZINC000661378837 419255322 /nfs/dbraw/zinc/25/53/22/419255322.db2.gz MZRBJCZLFZNOGJ-KBPBESRZSA-N 1 1 298.390 3.481 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000661383769 419255328 /nfs/dbraw/zinc/25/53/28/419255328.db2.gz FCRNHCUCYPFEEG-WBVHZDCISA-N 1 1 277.383 3.017 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2cnc3ccccn23)C1 ZINC000661379876 419255956 /nfs/dbraw/zinc/25/59/56/419255956.db2.gz BTZKJOUCMYCVFU-CQSZACIVSA-N 1 1 255.365 3.122 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CCc2scnc2C)C1 ZINC000661380803 419256117 /nfs/dbraw/zinc/25/61/17/419256117.db2.gz QEUMPSLJNOQAOW-CYBMUJFWSA-N 1 1 250.411 3.282 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](CCCC(=O)c2ccccc2)C1 ZINC000661151562 419235275 /nfs/dbraw/zinc/23/52/75/419235275.db2.gz DBTSEXLCMFADJL-OAHLLOKOSA-N 1 1 270.376 3.275 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1c(F)cccc1F)C(C)(C)C ZINC000661756338 419294901 /nfs/dbraw/zinc/29/49/01/419294901.db2.gz KQDVCVOWGAFVGJ-UHFFFAOYSA-N 1 1 282.334 3.190 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](Cc1ccccc1F)CC1CC1 ZINC000661795007 419299807 /nfs/dbraw/zinc/29/98/07/419299807.db2.gz UQFWPNHPEDOWSB-MRXNPFEDSA-N 1 1 277.383 3.365 20 30 CGEDMO FC(F)(F)c1ccc(C#CC[N@H+]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000661969561 419317868 /nfs/dbraw/zinc/31/78/68/419317868.db2.gz CETIFHKGPDPXHA-ZIAGYGMSSA-N 1 1 279.305 3.399 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000662082993 419333137 /nfs/dbraw/zinc/33/31/37/419333137.db2.gz ZCNYDKHBMAVTHS-HHARLNAUSA-N 1 1 290.451 3.347 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1ccccc1C ZINC000662080064 419333351 /nfs/dbraw/zinc/33/33/51/419333351.db2.gz MSMFMENGANQRCZ-GASCZTMLSA-N 1 1 270.376 3.117 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(NC(C)=O)c1 ZINC000662083722 419334234 /nfs/dbraw/zinc/33/42/34/419334234.db2.gz JGIORNSPCKUHOB-CALCHBBNSA-N 1 1 270.376 3.328 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)[C@H](C)CC(C)C ZINC000662084726 419334564 /nfs/dbraw/zinc/33/45/64/419334564.db2.gz VSDNHOLVYCURID-OAGGEKHMSA-N 1 1 278.440 3.062 20 30 CGEDMO OC[C@H]([NH2+]CC#Cc1ccccc1Cl)c1ccsc1 ZINC000352034119 228176646 /nfs/dbraw/zinc/17/66/46/228176646.db2.gz YJCBWPQYTQJEFY-HNNXBMFYSA-N 1 1 291.803 3.076 20 30 CGEDMO C=CC[C@@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000658029963 419504019 /nfs/dbraw/zinc/50/40/19/419504019.db2.gz UFAFCMSQRWRXSF-AKBNIOSXSA-N 1 1 262.441 3.336 20 30 CGEDMO C=CCN(CCOC)c1cc(C(F)(F)F)cc(C)[nH+]1 ZINC000663840260 419735278 /nfs/dbraw/zinc/73/52/78/419735278.db2.gz ZHXAVEZXYCOUJQ-UHFFFAOYSA-N 1 1 274.286 3.048 20 30 CGEDMO C#CC[N@@H+](Cc1ccnn1CC)[C@H]1CCc2ccccc21 ZINC000179487984 260051494 /nfs/dbraw/zinc/05/14/94/260051494.db2.gz VOKNFCWHQIAKLD-SFHVURJKSA-N 1 1 279.387 3.026 20 30 CGEDMO C#CC[N@H+](Cc1ccnn1CC)[C@H]1CCc2ccccc21 ZINC000179487984 260051495 /nfs/dbraw/zinc/05/14/95/260051495.db2.gz VOKNFCWHQIAKLD-SFHVURJKSA-N 1 1 279.387 3.026 20 30 CGEDMO N#CCCCC[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000071122672 260271916 /nfs/dbraw/zinc/27/19/16/260271916.db2.gz KQKHIZNWSZEXLN-AWEZNQCLSA-N 1 1 278.421 3.423 20 30 CGEDMO N#CCC[N@@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000102774824 260608132 /nfs/dbraw/zinc/60/81/32/260608132.db2.gz NEPDIGLTLQRTDY-UHFFFAOYSA-N 1 1 270.376 3.280 20 30 CGEDMO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(F)c(F)c1 ZINC000121012473 260706853 /nfs/dbraw/zinc/70/68/53/260706853.db2.gz PFXDECIEHANAPF-WDEREUQCSA-N 1 1 263.291 3.059 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000247350832 260872401 /nfs/dbraw/zinc/87/24/01/260872401.db2.gz JWBPSHFTMFGTTI-ROUUACIJSA-N 1 1 288.435 3.217 20 30 CGEDMO CC[N@@H+](Cc1ccc(OC(C)C)cc1)C[C@@H](C)C#N ZINC000102397856 261232453 /nfs/dbraw/zinc/23/24/53/261232453.db2.gz BWRVZEQPQLRCLM-AWEZNQCLSA-N 1 1 260.381 3.455 20 30 CGEDMO CC[N@H+](Cc1ccc(OC(C)C)cc1)C[C@@H](C)C#N ZINC000102397856 261232455 /nfs/dbraw/zinc/23/24/55/261232455.db2.gz BWRVZEQPQLRCLM-AWEZNQCLSA-N 1 1 260.381 3.455 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1cn(C)nc1C1CCCCC1 ZINC000184082649 262007249 /nfs/dbraw/zinc/00/72/49/262007249.db2.gz BUNQZYHKUQKGOK-HNNXBMFYSA-N 1 1 274.412 3.250 20 30 CGEDMO CCCOc1cc(C[NH2+][C@H](CC)CC#N)ccc1OC ZINC000184083894 262008501 /nfs/dbraw/zinc/00/85/01/262008501.db2.gz IKYCLHOZKYYJEZ-CQSZACIVSA-N 1 1 276.380 3.266 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000364058255 262128972 /nfs/dbraw/zinc/12/89/72/262128972.db2.gz WBNOJWYVXGCRSN-ZDUSSCGKSA-N 1 1 287.338 3.241 20 30 CGEDMO CC#CC[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000119410998 262274457 /nfs/dbraw/zinc/27/44/57/262274457.db2.gz IHZAGXSUOBRAJW-LBPRGKRZSA-N 1 1 256.374 3.484 20 30 CGEDMO CC[C@]1(C)COCC[N@H+]1CCCCC(C)(C)C#N ZINC000336783535 262394721 /nfs/dbraw/zinc/39/47/21/262394721.db2.gz ANECEQUYDGBNHV-OAHLLOKOSA-N 1 1 252.402 3.207 20 30 CGEDMO CC[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)C[C@H](C)O1 ZINC000336783643 262394751 /nfs/dbraw/zinc/39/47/51/262394751.db2.gz DARXLBKUYKMENN-UONOGXRCSA-N 1 1 252.402 3.206 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@@H]1CCCCO1 ZINC000336838802 262399494 /nfs/dbraw/zinc/39/94/94/262399494.db2.gz RFHZPHYPCCRSAC-RCCFBDPRSA-N 1 1 284.403 3.327 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@@H]1CCCCO1 ZINC000336838802 262399495 /nfs/dbraw/zinc/39/94/95/262399495.db2.gz RFHZPHYPCCRSAC-RCCFBDPRSA-N 1 1 284.403 3.327 20 30 CGEDMO C[C@H]1C[N@@H+](CCCC2(C#N)CCOCC2)C(C)(C)C1 ZINC000337169722 262427598 /nfs/dbraw/zinc/42/75/98/262427598.db2.gz DTFRGVJLGKRWRN-CQSZACIVSA-N 1 1 264.413 3.207 20 30 CGEDMO C[C@@H]([NH2+]CCCCC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272528278 263005813 /nfs/dbraw/zinc/00/58/13/263005813.db2.gz QPXQWDSRJAYNFW-AEFFLSMTSA-N 1 1 285.435 3.180 20 30 CGEDMO C[C@@H]([NH2+]CCCCC#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272528278 263005814 /nfs/dbraw/zinc/00/58/14/263005814.db2.gz QPXQWDSRJAYNFW-AEFFLSMTSA-N 1 1 285.435 3.180 20 30 CGEDMO CN(Cc1ccccc1)CC(C)(C)C[NH2+]CCCC#N ZINC000273008853 263010890 /nfs/dbraw/zinc/01/08/90/263010890.db2.gz BMTBEIDMNRJDNY-UHFFFAOYSA-N 1 1 273.424 3.038 20 30 CGEDMO Cc1nccn1CCC[N@@H+](C)CCCCC(C)(C)C#N ZINC000277732860 263043057 /nfs/dbraw/zinc/04/30/57/263043057.db2.gz OGDOQYRDDOBFSH-UHFFFAOYSA-N 1 1 276.428 3.234 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@@H](C2CC2)O1 ZINC000279407575 263055391 /nfs/dbraw/zinc/05/53/91/263055391.db2.gz VQRSBLAGKBUZEO-KDOFPFPSSA-N 1 1 298.430 3.487 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@H](C2CC2)O1 ZINC000279407573 263055457 /nfs/dbraw/zinc/05/54/57/263055457.db2.gz VQRSBLAGKBUZEO-KBXCAEBGSA-N 1 1 298.430 3.487 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@H](C)C1 ZINC000282528843 263077316 /nfs/dbraw/zinc/07/73/16/263077316.db2.gz YWJSAORAKDGCHQ-ZBFHGGJFSA-N 1 1 286.419 3.487 20 30 CGEDMO C=C[C@H](CC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000340146045 263077875 /nfs/dbraw/zinc/07/78/75/263077875.db2.gz AWMZWHRSKCOLDM-CRAIPNDOSA-N 1 1 298.430 3.041 20 30 CGEDMO C[C@@H](C[NH+](C)C)/N=C/c1cc(Cl)cc(Cl)c1O ZINC000286652558 263099077 /nfs/dbraw/zinc/09/90/77/263099077.db2.gz XWLSWXPRYKPXBO-VLYAYIKJSA-N 1 1 275.179 3.068 20 30 CGEDMO C=CCN(CCc1ccccc1)CC[C@H]1CCC[N@@H+]1C ZINC000340372143 263120616 /nfs/dbraw/zinc/12/06/16/263120616.db2.gz SUTDXCSYOOIMKF-GOSISDBHSA-N 1 1 272.436 3.201 20 30 CGEDMO C[N@@H+]1CC[C@H](NCC2(CC#N)CC2)C[C@H]1c1ccccc1 ZINC000340375516 263121148 /nfs/dbraw/zinc/12/11/48/263121148.db2.gz JNCSEUKNNPCGRZ-IRXDYDNUSA-N 1 1 283.419 3.105 20 30 CGEDMO C[N@H+]1CC[C@H](NCC2(CC#N)CC2)C[C@H]1c1ccccc1 ZINC000340375516 263121149 /nfs/dbraw/zinc/12/11/49/263121149.db2.gz JNCSEUKNNPCGRZ-IRXDYDNUSA-N 1 1 283.419 3.105 20 30 CGEDMO CC(C)C[N@H+]1Cc2cccc(NC(=O)CCCC#N)c2C1 ZINC000291882546 263126324 /nfs/dbraw/zinc/12/63/24/263126324.db2.gz JEMABWCLVQBLPK-UHFFFAOYSA-N 1 1 285.391 3.291 20 30 CGEDMO CCC[N@@H+](Cc1ccccc1O)[C@@H]1CC[C@@H](C#N)C1 ZINC000292722860 263134476 /nfs/dbraw/zinc/13/44/76/263134476.db2.gz FWGFUQMDIMRGLG-UKRRQHHQSA-N 1 1 258.365 3.296 20 30 CGEDMO C[C@@H]1c2ccc(Cl)n2CC[N@@H+]1CCCSCC#N ZINC000293259304 263138910 /nfs/dbraw/zinc/13/89/10/263138910.db2.gz RXAHYOSGWRGNKL-LLVKDONJSA-N 1 1 283.828 3.165 20 30 CGEDMO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1[C@@H]1CC[C@@H](C#N)C1 ZINC000293482086 263141311 /nfs/dbraw/zinc/14/13/11/263141311.db2.gz FWJZETBLUYEOHJ-CKEIUWERSA-N 1 1 287.382 3.028 20 30 CGEDMO CCC[N@@H+](CCOCCC#N)[C@@H]1CCc2ccccc21 ZINC000293666993 263146379 /nfs/dbraw/zinc/14/63/79/263146379.db2.gz ZCMOGJNDWRHXJU-QGZVFWFLSA-N 1 1 272.392 3.316 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](COc3ccccc3)C2)C1 ZINC000294690084 263166313 /nfs/dbraw/zinc/16/63/13/263166313.db2.gz TUSRHUARJWJUBJ-BZUAXINKSA-N 1 1 270.376 3.080 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@H](C)CCC#N ZINC000298134953 263215558 /nfs/dbraw/zinc/21/55/58/263215558.db2.gz NVCRSKHNRBLCLN-CQSZACIVSA-N 1 1 253.349 3.239 20 30 CGEDMO CC1=C(Br)C[N@H+]([C@H](C)CCC#N)CC1 ZINC000298616724 263223026 /nfs/dbraw/zinc/22/30/26/263223026.db2.gz UKNMYQYVHSRMRU-SNVBAGLBSA-N 1 1 257.175 3.053 20 30 CGEDMO CC1=C(Br)C[N@@H+]([C@H](C)CCC#N)CC1 ZINC000298616724 263223030 /nfs/dbraw/zinc/22/30/30/263223030.db2.gz UKNMYQYVHSRMRU-SNVBAGLBSA-N 1 1 257.175 3.053 20 30 CGEDMO COCc1ccc([C@@H]2CCC[N@H+]2[C@H](C)CCC#N)o1 ZINC000299241735 263236328 /nfs/dbraw/zinc/23/63/28/263236328.db2.gz JEHMHHCRHZKSEW-OCCSQVGLSA-N 1 1 262.353 3.255 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000340868322 263310339 /nfs/dbraw/zinc/31/03/39/263310339.db2.gz AMCLSTUQPOCSCP-OCCSQVGLSA-N 1 1 262.401 3.037 20 30 CGEDMO C=CCCC[C@@H](C)[N@@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000340868322 263310340 /nfs/dbraw/zinc/31/03/40/263310340.db2.gz AMCLSTUQPOCSCP-OCCSQVGLSA-N 1 1 262.401 3.037 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000340868322 263310342 /nfs/dbraw/zinc/31/03/42/263310342.db2.gz AMCLSTUQPOCSCP-OCCSQVGLSA-N 1 1 262.401 3.037 20 30 CGEDMO C=CCCC[C@@H](C)[N@@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000340868322 263310344 /nfs/dbraw/zinc/31/03/44/263310344.db2.gz AMCLSTUQPOCSCP-OCCSQVGLSA-N 1 1 262.401 3.037 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000340868322 263310346 /nfs/dbraw/zinc/31/03/46/263310346.db2.gz AMCLSTUQPOCSCP-OCCSQVGLSA-N 1 1 262.401 3.037 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000340955695 263313898 /nfs/dbraw/zinc/31/38/98/263313898.db2.gz SWWSNYKDMWYSQP-CABCVRRESA-N 1 1 261.413 3.344 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+](C)Cc2ccco2)cc1 ZINC000162164274 264310355 /nfs/dbraw/zinc/31/03/55/264310355.db2.gz HSRBARGRVNGLBE-UHFFFAOYSA-N 1 1 269.344 3.314 20 30 CGEDMO C=CCCC[N@H+](C)Cc1nc(-c2ccsc2)no1 ZINC000076733993 264344142 /nfs/dbraw/zinc/34/41/42/264344142.db2.gz DYXFRRRYFIUWIO-UHFFFAOYSA-N 1 1 263.366 3.196 20 30 CGEDMO N#Cc1ccccc1C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000191658916 270075771 /nfs/dbraw/zinc/07/57/71/270075771.db2.gz UYKJWVGDAIZULS-KRWDZBQOSA-N 1 1 278.355 3.431 20 30 CGEDMO C[C@H](CC#N)[N@H+](C)CCc1ccc(F)cc1Cl ZINC000356217137 266073994 /nfs/dbraw/zinc/07/39/94/266073994.db2.gz DQWMZOQVKVTLRG-SNVBAGLBSA-N 1 1 254.736 3.256 20 30 CGEDMO C[C@H](CC#N)[N@@H+](C)CCc1ccc(F)cc1Cl ZINC000356217137 266073998 /nfs/dbraw/zinc/07/39/98/266073998.db2.gz DQWMZOQVKVTLRG-SNVBAGLBSA-N 1 1 254.736 3.256 20 30 CGEDMO C=CC[N@H+](C[C@@H](O)Cc1ccccc1C(F)(F)F)C1CC1 ZINC000357551004 266321544 /nfs/dbraw/zinc/32/15/44/266321544.db2.gz JKTFUAMQGLNWIJ-AWEZNQCLSA-N 1 1 299.336 3.259 20 30 CGEDMO C[C@@]1(c2ccc(F)cc2)CC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000369865843 267273433 /nfs/dbraw/zinc/27/34/33/267273433.db2.gz VDUFYWMOBCPXKL-WMLDXEAASA-N 1 1 285.366 3.233 20 30 CGEDMO C[C@@]1(c2ccc(F)cc2)CC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000369865843 267273437 /nfs/dbraw/zinc/27/34/37/267273437.db2.gz VDUFYWMOBCPXKL-WMLDXEAASA-N 1 1 285.366 3.233 20 30 CGEDMO C[C@@H]1C[C@@H](NCC2(C#N)CCC2)C[N@H+](Cc2ccccc2)C1 ZINC000418141772 267363293 /nfs/dbraw/zinc/36/32/93/267363293.db2.gz LSPKQQIDJPNLKK-SJLPKXTDSA-N 1 1 297.446 3.180 20 30 CGEDMO C[C@@H]1C[C@@H](NCC2(C#N)CCC2)C[N@@H+](Cc2ccccc2)C1 ZINC000418141772 267363295 /nfs/dbraw/zinc/36/32/95/267363295.db2.gz LSPKQQIDJPNLKK-SJLPKXTDSA-N 1 1 297.446 3.180 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc(F)c3cccnc23)CCC1 ZINC000418137889 267371619 /nfs/dbraw/zinc/37/16/19/267371619.db2.gz FIPIOMZVDRIJBN-UHFFFAOYSA-N 1 1 269.323 3.157 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000371330107 267392112 /nfs/dbraw/zinc/39/21/12/267392112.db2.gz AQCKNWITQGVVGP-IAGOWNOFSA-N 1 1 287.403 3.110 20 30 CGEDMO Cc1ccc(C#N)c(NC[C@@H]2CC[N@H+]2C2CCCCC2)n1 ZINC000528117351 268028767 /nfs/dbraw/zinc/02/87/67/268028767.db2.gz YOVBVLXANRPNQN-INIZCTEOSA-N 1 1 284.407 3.081 20 30 CGEDMO N#Cc1c(F)cccc1NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000528212500 268165620 /nfs/dbraw/zinc/16/56/20/268165620.db2.gz YCOKRPZDRBDORF-CYBMUJFWSA-N 1 1 273.355 3.126 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2cccs2)nc1 ZINC000519739466 268218667 /nfs/dbraw/zinc/21/86/67/268218667.db2.gz PSHPQQFBRWTXQJ-AWEZNQCLSA-N 1 1 269.373 3.352 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@]3(CC=CCC3)C2)nc1 ZINC000519577615 268219367 /nfs/dbraw/zinc/21/93/67/268219367.db2.gz OFHBFDLYTFDDOP-QGZVFWFLSA-N 1 1 267.376 3.276 20 30 CGEDMO C[C@@H](NC[C@@H]1[NH2+]CCc2ccccc21)c1ccc(C#N)cc1 ZINC000423446302 274249467 /nfs/dbraw/zinc/24/94/67/274249467.db2.gz ZANBYGHACYENRG-KUHUBIRLSA-N 1 1 291.398 3.096 20 30 CGEDMO C[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1nccs1 ZINC000334836145 274529335 /nfs/dbraw/zinc/52/93/35/274529335.db2.gz WCNVZHNKUGBIPQ-HZMBPMFUSA-N 1 1 269.373 3.353 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@H](C)c1cnccn1 ZINC000411162838 276001748 /nfs/dbraw/zinc/00/17/48/276001748.db2.gz DPTCKKUWTBOYNQ-CQSZACIVSA-N 1 1 280.375 3.321 20 30 CGEDMO CC[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])[C@H](C)C(C)C ZINC000459330337 276139652 /nfs/dbraw/zinc/13/96/52/276139652.db2.gz RITUTPVEZZQFJD-GFCCVEGCSA-N 1 1 275.352 3.333 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000336495265 278305623 /nfs/dbraw/zinc/30/56/23/278305623.db2.gz WCNVXYPLTOHLDH-RISCZKNCSA-N 1 1 298.308 3.008 20 30 CGEDMO C[C@@H]([NH2+][C@H](c1nccn1C)C1CC1)c1ccc(C#N)c(F)c1 ZINC000353936444 278380537 /nfs/dbraw/zinc/38/05/37/278380537.db2.gz YTNKMNHFQLCPKI-BZNIZROVSA-N 1 1 298.365 3.233 20 30 CGEDMO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1nccn1C ZINC000334923935 278383271 /nfs/dbraw/zinc/38/32/71/278383271.db2.gz XTSQOICXNKLKNP-WBMJQRKESA-N 1 1 280.375 3.020 20 30 CGEDMO CC[NH+](CC)CCN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000360841248 279107524 /nfs/dbraw/zinc/10/75/24/279107524.db2.gz REXSKGSVNCASMQ-GOSISDBHSA-N 1 1 285.435 3.257 20 30 CGEDMO C[C@@]1(CN[C@@H]2CCCCc3cc(C#N)ccc32)CCC[NH2+]C1 ZINC000423343096 289175143 /nfs/dbraw/zinc/17/51/43/289175143.db2.gz NMYVJUYIJWJBIG-RTBURBONSA-N 1 1 297.446 3.305 20 30 CGEDMO C=CCc1cc(C[N@H+](CCC#N)C(C)C)cc(OC)c1O ZINC000534342051 328049812 /nfs/dbraw/zinc/04/98/12/328049812.db2.gz AAAMXYFWODAMML-UHFFFAOYSA-N 1 1 288.391 3.253 20 30 CGEDMO C=CCc1cc(C[N@@H+](CCC#N)C(C)C)cc(OC)c1O ZINC000534342051 328049813 /nfs/dbraw/zinc/04/98/13/328049813.db2.gz AAAMXYFWODAMML-UHFFFAOYSA-N 1 1 288.391 3.253 20 30 CGEDMO Cc1cc(C[NH2+]C[C@@H](C)C#N)ccc1C(F)(F)F ZINC000563518902 328071555 /nfs/dbraw/zinc/07/15/55/328071555.db2.gz KLFQGDKELKPEQY-VIFPVBQESA-N 1 1 256.271 3.263 20 30 CGEDMO C=CCOCC[N@H+](CC)[C@@H](C)Cc1ccc(OC)cc1 ZINC000563635474 328079403 /nfs/dbraw/zinc/07/94/03/328079403.db2.gz JKKXFCVGPWWAIN-HNNXBMFYSA-N 1 1 277.408 3.151 20 30 CGEDMO CSC[C@@H]1CCC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000430194253 328157237 /nfs/dbraw/zinc/15/72/37/328157237.db2.gz HVPMBTPFXZOGOY-CYBMUJFWSA-N 1 1 254.443 3.391 20 30 CGEDMO C[C@H](CCC#N)[N@@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000276347908 328217740 /nfs/dbraw/zinc/21/77/40/328217740.db2.gz VSFUHGRIJWOKAN-FMKPAKJESA-N 1 1 258.365 3.141 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1C[C@@H](C)O[C@H](c2ccccc2)C1 ZINC000276347908 328217742 /nfs/dbraw/zinc/21/77/42/328217742.db2.gz VSFUHGRIJWOKAN-FMKPAKJESA-N 1 1 258.365 3.141 20 30 CGEDMO C[N@@H+](CCOc1ccc(Cl)cc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000278604542 328228048 /nfs/dbraw/zinc/22/80/48/328228048.db2.gz MBPIJQGBBXLKAN-TZMCWYRMSA-N 1 1 278.783 3.343 20 30 CGEDMO C[N@H+](Cc1nc(-c2ccccc2)c[nH]1)[C@@H]1CC[C@@H](C#N)C1 ZINC000278623457 328228622 /nfs/dbraw/zinc/22/86/22/328228622.db2.gz NMYXQXTUBPTWSP-UKRRQHHQSA-N 1 1 280.375 3.201 20 30 CGEDMO C[N@@H+](Cc1nc(-c2ccccc2)c[nH]1)[C@@H]1CC[C@@H](C#N)C1 ZINC000278623457 328228624 /nfs/dbraw/zinc/22/86/24/328228624.db2.gz NMYXQXTUBPTWSP-UKRRQHHQSA-N 1 1 280.375 3.201 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC000181299964 329230398 /nfs/dbraw/zinc/23/03/98/329230398.db2.gz IDGIGBZKSLUTCI-NSHDSACASA-N 1 1 296.798 3.184 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC000181299964 329230400 /nfs/dbraw/zinc/23/04/00/329230400.db2.gz IDGIGBZKSLUTCI-NSHDSACASA-N 1 1 296.798 3.184 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000340552481 328292611 /nfs/dbraw/zinc/29/26/11/328292611.db2.gz GLXTXRDCHMFWEW-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO CC[N@H+](CC(=O)Nc1c(C)cccc1C)[C@H](C)CCC#N ZINC000297784002 328294554 /nfs/dbraw/zinc/29/45/54/328294554.db2.gz AFLPLAPTEPLHSL-OAHLLOKOSA-N 1 1 287.407 3.256 20 30 CGEDMO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)[C@H](C)CCC#N ZINC000297784002 328294555 /nfs/dbraw/zinc/29/45/55/328294555.db2.gz AFLPLAPTEPLHSL-OAHLLOKOSA-N 1 1 287.407 3.256 20 30 CGEDMO CC1(C)c2ccccc2CC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000572972218 322364056 /nfs/dbraw/zinc/36/40/56/322364056.db2.gz RTWAEIOAVSBBNA-UHFFFAOYSA-N 1 1 277.371 3.247 20 30 CGEDMO C[C@H](C#N)C[N@H+](CCN1CCCc2ccccc21)C1CC1 ZINC000534913601 328368226 /nfs/dbraw/zinc/36/82/26/328368226.db2.gz CEGTVRFHPFYLPY-OAHLLOKOSA-N 1 1 283.419 3.063 20 30 CGEDMO C[C@H](C#N)C[N@@H+](CCN1CCCc2ccccc21)C1CC1 ZINC000534913601 328368228 /nfs/dbraw/zinc/36/82/28/328368228.db2.gz CEGTVRFHPFYLPY-OAHLLOKOSA-N 1 1 283.419 3.063 20 30 CGEDMO CCOc1ccc(C[N@H+](CCC#N)C(C)C)cc1OC ZINC000535076938 328384689 /nfs/dbraw/zinc/38/46/89/328384689.db2.gz FCLPZCYGJBNMEV-UHFFFAOYSA-N 1 1 276.380 3.218 20 30 CGEDMO CCOc1ccc(C[N@@H+](CCC#N)C(C)C)cc1OC ZINC000535076938 328384690 /nfs/dbraw/zinc/38/46/90/328384690.db2.gz FCLPZCYGJBNMEV-UHFFFAOYSA-N 1 1 276.380 3.218 20 30 CGEDMO CCc1cccc2c1OCC[C@H]2[NH2+]C[C@H](C#N)CCC#N ZINC000584345977 328593452 /nfs/dbraw/zinc/59/34/52/328593452.db2.gz MMGLMLJPXWDWOD-XJKSGUPXSA-N 1 1 283.375 3.106 20 30 CGEDMO CCc1[nH+]c2ccccc2c(NC[C@@H](C)C#N)c1C ZINC000557463670 327006863 /nfs/dbraw/zinc/00/68/63/327006863.db2.gz BFCODGKPIGUFAF-NSHDSACASA-N 1 1 253.349 3.099 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H]1C[C@@H]1C ZINC000584199490 327063270 /nfs/dbraw/zinc/06/32/70/327063270.db2.gz JZVDVYWDLGHVSG-GOEBONIOSA-N 1 1 261.413 3.498 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000558397151 327090272 /nfs/dbraw/zinc/09/02/72/327090272.db2.gz MUTOIFKJJDGHMP-UHFFFAOYSA-N 1 1 264.800 3.428 20 30 CGEDMO N#CCSCCC[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000074980898 327122389 /nfs/dbraw/zinc/12/23/89/327122389.db2.gz PELHENBFEIJGHP-INIZCTEOSA-N 1 1 274.433 3.340 20 30 CGEDMO C=CC[N@@H+]1CCN(c2cccc(Cl)c2)C[C@H]1C ZINC000559637739 327255914 /nfs/dbraw/zinc/25/59/14/327255914.db2.gz ZLVSUMPQFYWXLR-GFCCVEGCSA-N 1 1 250.773 3.037 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000560630230 327332191 /nfs/dbraw/zinc/33/21/91/327332191.db2.gz WLLVRYMFTCPNAG-OALUTQOASA-N 1 1 299.414 3.395 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000560630230 327332192 /nfs/dbraw/zinc/33/21/92/327332192.db2.gz WLLVRYMFTCPNAG-OALUTQOASA-N 1 1 299.414 3.395 20 30 CGEDMO CCCCCCCCC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000377426129 329014920 /nfs/dbraw/zinc/01/49/20/329014920.db2.gz LRDUMTCGRVZUMT-HOTGVXAUSA-N 1 1 280.456 3.480 20 30 CGEDMO COc1ccccc1C[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000178680490 329201022 /nfs/dbraw/zinc/20/10/22/329201022.db2.gz KNUYMQZJCKYSAM-UHFFFAOYSA-N 1 1 283.346 3.318 20 30 CGEDMO COc1ccccc1C[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000178680490 329201024 /nfs/dbraw/zinc/20/10/24/329201024.db2.gz KNUYMQZJCKYSAM-UHFFFAOYSA-N 1 1 283.346 3.318 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000181271336 329228769 /nfs/dbraw/zinc/22/87/69/329228769.db2.gz RHXNXQNGKZGVIN-QGZVFWFLSA-N 1 1 286.419 3.248 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000181271336 329228770 /nfs/dbraw/zinc/22/87/70/329228770.db2.gz RHXNXQNGKZGVIN-QGZVFWFLSA-N 1 1 286.419 3.248 20 30 CGEDMO CC[N@@H+](CCCCC#N)[C@H]1CCN(Cc2ccccc2)C1 ZINC000183763105 329250200 /nfs/dbraw/zinc/25/02/00/329250200.db2.gz CZTKEGUVBAGXLP-SFHVURJKSA-N 1 1 285.435 3.277 20 30 CGEDMO N#Cc1ccc(C[NH2+]C2(c3ccc(Cl)cc3)CC2)nc1 ZINC000583032537 329305020 /nfs/dbraw/zinc/30/50/20/329305020.db2.gz NFODRQNTGHVEHS-UHFFFAOYSA-N 1 1 283.762 3.386 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)C[C@@H](O)C1CCCCC1 ZINC000190629101 329399869 /nfs/dbraw/zinc/39/98/69/329399869.db2.gz IBXSEDYHQWKYRO-MRXNPFEDSA-N 1 1 266.429 3.189 20 30 CGEDMO CC[C@H](CC#N)N[C@@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000274398241 330105769 /nfs/dbraw/zinc/10/57/69/330105769.db2.gz XHAYOAAPEHSZPB-KBAYOESNSA-N 1 1 285.435 3.179 20 30 CGEDMO CC[C@H](CC#N)[NH2+][C@@H]1C[C@@H](C)CN(Cc2ccccc2)C1 ZINC000274398241 330105771 /nfs/dbraw/zinc/10/57/71/330105771.db2.gz XHAYOAAPEHSZPB-KBAYOESNSA-N 1 1 285.435 3.179 20 30 CGEDMO C#Cc1ccc(CN[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000279146222 330121890 /nfs/dbraw/zinc/12/18/90/330121890.db2.gz ZORLFDVCKZOYOH-LPHOPBHVSA-N 1 1 296.458 3.411 20 30 CGEDMO C#Cc1ccc(CN[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000279146222 330121892 /nfs/dbraw/zinc/12/18/92/330121892.db2.gz ZORLFDVCKZOYOH-LPHOPBHVSA-N 1 1 296.458 3.411 20 30 CGEDMO CCC(N)(CC)C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000423289725 330186511 /nfs/dbraw/zinc/18/65/11/330186511.db2.gz XWPKAGUHPYWHSU-UHFFFAOYSA-N 1 1 299.462 3.498 20 30 CGEDMO COc1cccc(CCC[N@@H+](C)CC(C)(C)C#N)c1 ZINC000433302368 330217485 /nfs/dbraw/zinc/21/74/85/330217485.db2.gz XOJJFMVYMNPHKB-UHFFFAOYSA-N 1 1 260.381 3.109 20 30 CGEDMO Cc1ccc([C@@H]2C[C@@H](C)[N@H+](C[C@@H](O)CC3(C#N)CC3)C2)cc1 ZINC000528486653 330245456 /nfs/dbraw/zinc/24/54/56/330245456.db2.gz PNYNFQARMAGMNO-NXHRZFHOSA-N 1 1 298.430 3.228 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(CC)cc1 ZINC000532976708 330323697 /nfs/dbraw/zinc/32/36/97/330323697.db2.gz PEJFXTVWVGCFQC-CQSZACIVSA-N 1 1 274.408 3.474 20 30 CGEDMO C=CCn1cc(C[NH2+][C@@H](C)c2ccc3c(c2)CCCC3)nn1 ZINC000424296689 330336298 /nfs/dbraw/zinc/33/62/98/330336298.db2.gz PFQYTQGOYXGNQJ-AWEZNQCLSA-N 1 1 296.418 3.194 20 30 CGEDMO C=CC[NH+](CC=C)Cc1ccnn1-c1ccccc1OC ZINC000430761527 330573555 /nfs/dbraw/zinc/57/35/55/330573555.db2.gz MRIBDVQTYUMDNJ-UHFFFAOYSA-N 1 1 283.375 3.055 20 30 CGEDMO N#CC1(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)CCC1 ZINC000450892982 331005212 /nfs/dbraw/zinc/00/52/12/331005212.db2.gz GAJQYDWQNYLDHW-XHSDSOJGSA-N 1 1 276.424 3.086 20 30 CGEDMO N#CC1(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)CCC1 ZINC000450980672 331009837 /nfs/dbraw/zinc/00/98/37/331009837.db2.gz NQHOQLJBSAQMRS-FGTMMUONSA-N 1 1 296.414 3.185 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H](O)CCC ZINC000450984723 331010169 /nfs/dbraw/zinc/01/01/69/331010169.db2.gz XOBDMZJBMIAXJG-MRXNPFEDSA-N 1 1 279.428 3.003 20 30 CGEDMO CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000451256933 331022276 /nfs/dbraw/zinc/02/22/76/331022276.db2.gz PQECYAFELBNDIY-DOTOQJQBSA-N 1 1 286.419 3.081 20 30 CGEDMO CCO[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1C ZINC000451522702 331032462 /nfs/dbraw/zinc/03/24/62/331032462.db2.gz BPBSQPREBGDWGQ-WMLDXEAASA-N 1 1 291.822 3.438 20 30 CGEDMO N#CCCCC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543791 331033585 /nfs/dbraw/zinc/03/35/85/331033585.db2.gz CTPFZMMDHKLGMS-OAHLLOKOSA-N 1 1 287.363 3.468 20 30 CGEDMO N#CCCOCC[N@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000451967763 331048744 /nfs/dbraw/zinc/04/87/44/331048744.db2.gz HQJSAYJPYVSWAJ-OAHLLOKOSA-N 1 1 280.318 3.032 20 30 CGEDMO N#CCCOCC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000451967763 331048745 /nfs/dbraw/zinc/04/87/45/331048745.db2.gz HQJSAYJPYVSWAJ-OAHLLOKOSA-N 1 1 280.318 3.032 20 30 CGEDMO COC[C@H]1CCCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000452040602 331051606 /nfs/dbraw/zinc/05/16/06/331051606.db2.gz QUBYVLGCOLUQAS-MRXNPFEDSA-N 1 1 277.795 3.192 20 30 CGEDMO C[C@]12C[N@@H+](CCCSCC#N)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000452041826 331051759 /nfs/dbraw/zinc/05/17/59/331051759.db2.gz DJTSMWQZSADOAX-CBBWQLFWSA-N 1 1 264.438 3.001 20 30 CGEDMO COC[C@H]1CCC[N@@H+](Cc2ccc(CC#N)cc2)CC1 ZINC000452077883 331053256 /nfs/dbraw/zinc/05/32/56/331053256.db2.gz CVXCSQNJWSATAJ-KRWDZBQOSA-N 1 1 272.392 3.001 20 30 CGEDMO COC[C@H]1CCC[N@@H+](CC#Cc2ccccc2Cl)CC1 ZINC000452105768 331054337 /nfs/dbraw/zinc/05/43/37/331054337.db2.gz PUFZUDAIHSKZJL-HNNXBMFYSA-N 1 1 291.822 3.440 20 30 CGEDMO CC1(C)C[N@H+](CC#Cc2ccccc2Cl)[C@@H]2COC[C@@H]21 ZINC000452117321 331054862 /nfs/dbraw/zinc/05/48/62/331054862.db2.gz NKMTVXIFHXFTTJ-GOEBONIOSA-N 1 1 289.806 3.048 20 30 CGEDMO CC1(C)C[N@@H+](CC#Cc2ccccc2Cl)[C@@H]2COC[C@@H]21 ZINC000452117321 331054863 /nfs/dbraw/zinc/05/48/63/331054863.db2.gz NKMTVXIFHXFTTJ-GOEBONIOSA-N 1 1 289.806 3.048 20 30 CGEDMO CC#CCCCC(=O)Nc1ccc2c(cc[nH+]c2N(C)C)c1 ZINC000452349143 331062980 /nfs/dbraw/zinc/06/29/80/331062980.db2.gz ARQULPOXFVRETC-UHFFFAOYSA-N 1 1 295.386 3.433 20 30 CGEDMO C=CCCCCCN(C)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459245831 331272866 /nfs/dbraw/zinc/27/28/66/331272866.db2.gz BOJKFJDHPDMEBC-INIZCTEOSA-N 1 1 295.471 3.106 20 30 CGEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC2(CCCC2)[C@@H]1c1ccccc1 ZINC000459576206 331288751 /nfs/dbraw/zinc/28/87/51/331288751.db2.gz UVPYJKVKMGOOGJ-WBVHZDCISA-N 1 1 298.430 3.294 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC(C)(C)OC[C@@H]2C)cc1 ZINC000488399574 332003920 /nfs/dbraw/zinc/00/39/20/332003920.db2.gz RYCLEKRBYSKTRT-AWEZNQCLSA-N 1 1 275.392 3.251 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(OC)c1 ZINC000489431332 332051842 /nfs/dbraw/zinc/05/18/42/332051842.db2.gz DXZPVIYOMHBJEP-OAHLLOKOSA-N 1 1 288.391 3.064 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(CC)cc1 ZINC000489461874 332053838 /nfs/dbraw/zinc/05/38/38/332053838.db2.gz JMGOVAVLTLEJTN-MRXNPFEDSA-N 1 1 272.392 3.228 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(CC)cc1 ZINC000489461874 332053839 /nfs/dbraw/zinc/05/38/39/332053839.db2.gz JMGOVAVLTLEJTN-MRXNPFEDSA-N 1 1 272.392 3.228 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1Cl ZINC000489469055 332054675 /nfs/dbraw/zinc/05/46/75/332054675.db2.gz CPYPHZWAVVGUEB-KGLIPLIRSA-N 1 1 295.810 3.120 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000489498074 332056631 /nfs/dbraw/zinc/05/66/31/332056631.db2.gz OFNHKWOYORWZFP-GFCCVEGCSA-N 1 1 264.300 3.274 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000489498074 332056633 /nfs/dbraw/zinc/05/66/33/332056633.db2.gz OFNHKWOYORWZFP-GFCCVEGCSA-N 1 1 264.300 3.274 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CCCCCC(=O)OCC ZINC000489505651 332057387 /nfs/dbraw/zinc/05/73/87/332057387.db2.gz DYFVYXYOBBATTC-CQSZACIVSA-N 1 1 253.386 3.150 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C)c(C)c1 ZINC000489516048 332057865 /nfs/dbraw/zinc/05/78/65/332057865.db2.gz SMHSGOCSAAKDPX-MRXNPFEDSA-N 1 1 272.392 3.282 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(C)c(C)c1 ZINC000489516048 332057866 /nfs/dbraw/zinc/05/78/66/332057866.db2.gz SMHSGOCSAAKDPX-MRXNPFEDSA-N 1 1 272.392 3.282 20 30 CGEDMO C#CC[N@@H+](Cn1cc(C)cnc1=S)C1CCCCC1 ZINC000491209629 332166578 /nfs/dbraw/zinc/16/65/78/332166578.db2.gz JNLXCIRBLBDATD-UHFFFAOYSA-N 1 1 275.421 3.146 20 30 CGEDMO C#CC[N@H+](Cn1cc(C)cnc1=S)C1CCCCC1 ZINC000491209629 332166580 /nfs/dbraw/zinc/16/65/80/332166580.db2.gz JNLXCIRBLBDATD-UHFFFAOYSA-N 1 1 275.421 3.146 20 30 CGEDMO C#C[C@H](CC)NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000491516476 332227928 /nfs/dbraw/zinc/22/79/28/332227928.db2.gz UJAYLVURUZQMMJ-ZMSDIMECSA-N 1 1 262.441 3.031 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1)c1ccc(F)cc1 ZINC000491626403 332250104 /nfs/dbraw/zinc/25/01/04/332250104.db2.gz JRAKIKBGHFMRJL-MRXNPFEDSA-N 1 1 299.345 3.307 20 30 CGEDMO C#C[C@H](CC)[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000491630002 332252895 /nfs/dbraw/zinc/25/28/95/332252895.db2.gz NJJORGZSWPKVQW-LLVKDONJSA-N 1 1 262.403 3.373 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1ccc2c(c1)ncn2C)c1ccc(F)cc1 ZINC000491749591 332326640 /nfs/dbraw/zinc/32/66/40/332326640.db2.gz QVLBHJSDENVRJB-MRXNPFEDSA-N 1 1 293.345 3.177 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)Nc1ccc(SC)cc1 ZINC000172324484 335101350 /nfs/dbraw/zinc/10/13/50/335101350.db2.gz JYWGEQXUQWXBHN-UHFFFAOYSA-N 1 1 278.421 3.245 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)Cc1ccccc1NC(C)=O ZINC000491768098 332335757 /nfs/dbraw/zinc/33/57/57/332335757.db2.gz JLNXSFHJTDVSOL-UHFFFAOYSA-N 1 1 292.382 3.280 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccccc1NC(C)=O ZINC000491768098 332335758 /nfs/dbraw/zinc/33/57/58/332335758.db2.gz JLNXSFHJTDVSOL-UHFFFAOYSA-N 1 1 292.382 3.280 20 30 CGEDMO Cc1ccc(C)c(OCCC[N@@H+](C)C[C@H](C)C#N)c1 ZINC000513956034 333054505 /nfs/dbraw/zinc/05/45/05/333054505.db2.gz RAUNGQLAAFBNFS-CQSZACIVSA-N 1 1 260.381 3.164 20 30 CGEDMO Cc1ccc(C)c(OCCC[N@H+](C)C[C@H](C)C#N)c1 ZINC000513956034 333054507 /nfs/dbraw/zinc/05/45/07/333054507.db2.gz RAUNGQLAAFBNFS-CQSZACIVSA-N 1 1 260.381 3.164 20 30 CGEDMO CC[N@H+](C[C@H](C)C#N)C[C@@H]1CCC2(CCCCC2)O1 ZINC000228050624 333293920 /nfs/dbraw/zinc/29/39/20/333293920.db2.gz WKWQWMMHPRDDGW-CABCVRRESA-N 1 1 264.413 3.350 20 30 CGEDMO CC[N@@H+](C[C@H](C)C#N)C[C@@H]1CCC2(CCCCC2)O1 ZINC000228050624 333293922 /nfs/dbraw/zinc/29/39/22/333293922.db2.gz WKWQWMMHPRDDGW-CABCVRRESA-N 1 1 264.413 3.350 20 30 CGEDMO CC[N@@H+](Cc1ccc(C(=O)N[C@](C)(C#N)CC)cc1)C1CC1 ZINC000523071531 333306873 /nfs/dbraw/zinc/30/68/73/333306873.db2.gz QSULRIOZHPYMQU-SFHVURJKSA-N 1 1 299.418 3.093 20 30 CGEDMO C=CCCCCCN(C)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000523519577 333332038 /nfs/dbraw/zinc/33/20/38/333332038.db2.gz RKWPTHIYHQVTAC-CVEARBPZSA-N 1 1 293.455 3.001 20 30 CGEDMO N#CCSCCC[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000074981033 334021517 /nfs/dbraw/zinc/02/15/17/334021517.db2.gz UXKLHFGEZOJZPJ-KGLIPLIRSA-N 1 1 252.427 3.288 20 30 CGEDMO C=CC[N@@H+](CCCSCC#N)Cc1cccs1 ZINC000074980761 334021507 /nfs/dbraw/zinc/02/15/07/334021507.db2.gz TZRUETXOHIXDGW-UHFFFAOYSA-N 1 1 266.435 3.383 20 30 CGEDMO C=CCCCCCN(C)C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000546566807 334038371 /nfs/dbraw/zinc/03/83/71/334038371.db2.gz QKQLPACUVMEIMY-UHFFFAOYSA-N 1 1 293.455 3.026 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccn(-c2ccc(F)cc2)n1 ZINC000075750007 334050194 /nfs/dbraw/zinc/05/01/94/334050194.db2.gz CGTUQRQWEWNGJC-UHFFFAOYSA-N 1 1 273.355 3.409 20 30 CGEDMO C=C(C)COCC[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000134507187 334092668 /nfs/dbraw/zinc/09/26/68/334092668.db2.gz OUCZZWOWVLJHIS-UHFFFAOYSA-N 1 1 272.348 3.024 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000134656352 334099465 /nfs/dbraw/zinc/09/94/65/334099465.db2.gz KUVKFBIXPQLPDP-RYUDHWBXSA-N 1 1 288.819 3.117 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000134656352 334099466 /nfs/dbraw/zinc/09/94/66/334099466.db2.gz KUVKFBIXPQLPDP-RYUDHWBXSA-N 1 1 288.819 3.117 20 30 CGEDMO CC(C)(C#N)CC[N@@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000549842735 334206497 /nfs/dbraw/zinc/20/64/97/334206497.db2.gz VXBOOUCVZXPPBH-CYBMUJFWSA-N 1 1 292.345 3.358 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000549842735 334206498 /nfs/dbraw/zinc/20/64/98/334206498.db2.gz VXBOOUCVZXPPBH-CYBMUJFWSA-N 1 1 292.345 3.358 20 30 CGEDMO C=CCOCC[N@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000549861067 334206747 /nfs/dbraw/zinc/20/67/47/334206747.db2.gz XCCKILGGUURJKL-DOTOQJQBSA-N 1 1 259.393 3.315 20 30 CGEDMO C[C@@H]1C[C@H](C)CN(C(C)(C)C[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000248894304 334321132 /nfs/dbraw/zinc/32/11/32/334321132.db2.gz SYRBQSILSUSYCC-TWMKSMIVSA-N 1 1 291.483 3.415 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cnc(N(CC)CC)s1 ZINC000158117708 334792835 /nfs/dbraw/zinc/79/28/35/334792835.db2.gz YWHGLOQCKFMWTG-UHFFFAOYSA-N 1 1 265.426 3.163 20 30 CGEDMO CC[C@H](CC#N)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000568996597 334850165 /nfs/dbraw/zinc/85/01/65/334850165.db2.gz DEBVVHOQRJPPPG-NWDGAFQWSA-N 1 1 261.325 3.246 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2C[C@@H](C)OC3(CCC3)C2)c1 ZINC000576756258 335244122 /nfs/dbraw/zinc/24/41/22/335244122.db2.gz VFHQEJORTWXWSH-OAHLLOKOSA-N 1 1 287.403 3.395 20 30 CGEDMO C=CC[C@@H](CO)CNc1[nH+]ccc2ccc(C)cc21 ZINC000579225077 335723253 /nfs/dbraw/zinc/72/32/53/335723253.db2.gz ZQPUZYWTYFVTQT-CYBMUJFWSA-N 1 1 256.349 3.140 20 30 CGEDMO C=CCCCC[N@H+](C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000581112540 336009929 /nfs/dbraw/zinc/00/99/29/336009929.db2.gz QBGJAJMYWBAVIP-AWEZNQCLSA-N 1 1 295.448 3.439 20 30 CGEDMO C=CC[N@H+](CCOC)[C@H](C)c1ccc(F)c(F)c1 ZINC000195002548 336042419 /nfs/dbraw/zinc/04/24/19/336042419.db2.gz VJQYEWBEQUILDC-LLVKDONJSA-N 1 1 255.308 3.160 20 30 CGEDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000384293145 336123316 /nfs/dbraw/zinc/12/33/16/336123316.db2.gz YEIPDNZHFKADLP-SWLSCSKDSA-N 1 1 258.365 3.187 20 30 CGEDMO C[C@@H](Cc1[nH]cc[nH+]1)OCc1ccc(Cl)cc1C#N ZINC000358804819 534267671 /nfs/dbraw/zinc/26/76/71/534267671.db2.gz TYJFAIQOQVSERN-JTQLQIEISA-N 1 1 275.739 3.083 20 30 CGEDMO C#CCOc1ccc(C[N@H+](C)[C@@H](C)c2ccncc2)cc1 ZINC000183713842 518324504 /nfs/dbraw/zinc/32/45/04/518324504.db2.gz AOSVFMBPDZDOAD-HNNXBMFYSA-N 1 1 280.371 3.287 20 30 CGEDMO CCC1(CC)CC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000094802947 521687396 /nfs/dbraw/zinc/68/73/96/521687396.db2.gz HZVCWLCHUKHPPS-MRXNPFEDSA-N 1 1 272.392 3.104 20 30 CGEDMO N#CCCC[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000344327681 534612880 /nfs/dbraw/zinc/61/28/80/534612880.db2.gz PKJOBAIZULOIOA-UHFFFAOYSA-N 1 1 275.352 3.343 20 30 CGEDMO C[C@H](CCN[C@@H](C)c1cccc(C#N)c1)[NH+]1CCCCC1 ZINC000184505497 524195498 /nfs/dbraw/zinc/19/54/98/524195498.db2.gz CODLVHWZFUSXDM-CVEARBPZSA-N 1 1 285.435 3.473 20 30 CGEDMO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000358555384 534843175 /nfs/dbraw/zinc/84/31/75/534843175.db2.gz ABKMIYSWTRTRJI-WDEREUQCSA-N 1 1 286.354 3.151 20 30 CGEDMO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000363916584 534852363 /nfs/dbraw/zinc/85/23/63/534852363.db2.gz BGAPXXGMAWSRGB-QGZVFWFLSA-N 1 1 298.365 3.076 20 30 CGEDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000363916584 534852365 /nfs/dbraw/zinc/85/23/65/534852365.db2.gz BGAPXXGMAWSRGB-QGZVFWFLSA-N 1 1 298.365 3.076 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cn2ccsc2n1 ZINC000352719200 526327523 /nfs/dbraw/zinc/32/75/23/526327523.db2.gz FLGRFUBUVAECOY-UHFFFAOYSA-N 1 1 287.388 3.220 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1cn2ccsc2n1 ZINC000352719200 526327526 /nfs/dbraw/zinc/32/75/26/526327526.db2.gz FLGRFUBUVAECOY-UHFFFAOYSA-N 1 1 287.388 3.220 20 30 CGEDMO C=CCC1(C(=O)N2CC[N@H+](C)CC[C@H]2C)CCCCC1 ZINC000334749044 527042924 /nfs/dbraw/zinc/04/29/24/527042924.db2.gz GVQODOKDIPDBEC-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC1(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000354597301 527087485 /nfs/dbraw/zinc/08/74/85/527087485.db2.gz OGNCDAIJLAOWMW-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCC[C@@H]([NH2+]CCN(CC)CC)c1ccco1 ZINC000356053187 527447924 /nfs/dbraw/zinc/44/79/24/527447924.db2.gz BYFXYLSUKUGHAC-CQSZACIVSA-N 1 1 250.386 3.218 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](CCN1CCCCCC1)C1CCC1 ZINC000347481196 527487788 /nfs/dbraw/zinc/48/77/88/527487788.db2.gz UDTXGABGRIUSML-SFHVURJKSA-N 1 1 294.483 3.044 20 30 CGEDMO C=CCC[C@H](O)CN(CC[NH+]1CCCCCC1)C1CCC1 ZINC000347481196 527487789 /nfs/dbraw/zinc/48/77/89/527487789.db2.gz UDTXGABGRIUSML-SFHVURJKSA-N 1 1 294.483 3.044 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000334708637 527605984 /nfs/dbraw/zinc/60/59/84/527605984.db2.gz LDSARANZDCNBQZ-HNNXBMFYSA-N 1 1 268.360 3.481 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)C[C@@H]1CCO[C@H](C)C1 ZINC000352716823 527715703 /nfs/dbraw/zinc/71/57/03/527715703.db2.gz HLGNVLUKTMVAPX-HUUCEWRRSA-N 1 1 252.402 3.063 20 30 CGEDMO CC[N@H+]1C[C@@H](C)N(Cc2ccc(C#N)cc2Cl)C[C@H]1C ZINC000439467169 527932124 /nfs/dbraw/zinc/93/21/24/527932124.db2.gz YHZMPGCMVZNBPC-CHWSQXEVSA-N 1 1 291.826 3.126 20 30 CGEDMO CC(C)C[N@H+]1CCCC[C@@H]1CNc1c(C#N)cccc1C#N ZINC000436406749 527968515 /nfs/dbraw/zinc/96/85/15/527968515.db2.gz RQDYDKJPFCUSDU-QGZVFWFLSA-N 1 1 296.418 3.352 20 30 CGEDMO CCC[N@@H+](CC)CCN[C@H](C)c1ccc(C#N)cc1F ZINC000358585098 527979192 /nfs/dbraw/zinc/97/91/92/527979192.db2.gz IPONPZJTZHUIBN-CYBMUJFWSA-N 1 1 277.387 3.080 20 30 CGEDMO CCC[N@@H+](CCc1cccs1)Cc1cc(C#N)n(C)c1 ZINC000191499993 528115875 /nfs/dbraw/zinc/11/58/75/528115875.db2.gz FYLHZESRTNGOSF-UHFFFAOYSA-N 1 1 287.432 3.413 20 30 CGEDMO CC(C)c1ccc[nH+]c1NCc1nc(C#N)cs1 ZINC000357708013 528207541 /nfs/dbraw/zinc/20/75/41/528207541.db2.gz KZWUDRQMZCPGLT-UHFFFAOYSA-N 1 1 258.350 3.145 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)C[C@H]1CCO[C@@H](C)C1 ZINC000352721407 528749500 /nfs/dbraw/zinc/74/95/00/528749500.db2.gz MEOSZFFOBDLINI-HOCLYGCPSA-N 1 1 266.429 3.453 20 30 CGEDMO CC[C@H]1C[NH+](Cc2cc(C#N)cs2)C[C@H](CC)O1 ZINC000421395127 529295724 /nfs/dbraw/zinc/29/57/24/529295724.db2.gz VBHKKVWMISXUGA-STQMWFEESA-N 1 1 264.394 3.009 20 30 CGEDMO CC[C@@H](C)C[N@@H+](CC)CCOc1ccccc1C#N ZINC000093250958 535510517 /nfs/dbraw/zinc/51/05/17/535510517.db2.gz ZSQRMPXUBROSFH-CQSZACIVSA-N 1 1 260.381 3.305 20 30 CGEDMO COc1cc(C#N)ccc1OCC[N@H+]1[C@@H](C)CCC1(C)C ZINC000452005745 536884420 /nfs/dbraw/zinc/88/44/20/536884420.db2.gz KJTUOSDLRFRXJE-ZDUSSCGKSA-N 1 1 288.391 3.209 20 30 CGEDMO C=C(C)C[NH+]1CCC(NCc2cnc3ccccc3c2)CC1 ZINC000730020178 571941468 /nfs/dbraw/zinc/94/14/68/571941468.db2.gz ZRTODZGNZGTRLW-UHFFFAOYSA-N 1 1 295.430 3.365 20 30 CGEDMO C#CC[N@H+](CCCCC(=O)OCC)[C@@H]1CCc2ccccc21 ZINC000739902769 572426850 /nfs/dbraw/zinc/42/68/50/572426850.db2.gz HSKHRDHEOPLFGE-GOSISDBHSA-N 1 1 299.414 3.343 20 30 CGEDMO C=C(Cl)COC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000731909324 572435731 /nfs/dbraw/zinc/43/57/31/572435731.db2.gz SMSJEHNLYMZLKQ-CQSZACIVSA-N 1 1 281.783 3.365 20 30 CGEDMO CC[N@H+]1CCC(N=Nc2ccc3ccccc3n2)[C@@H](C)C1 ZINC000741451182 572498421 /nfs/dbraw/zinc/49/84/21/572498421.db2.gz DKMPNIWJISLHHG-ZDUSSCGKSA-N 1 1 282.391 3.364 20 30 CGEDMO C#CCOc1ccccc1C[NH2+]Cc1cccc(F)c1F ZINC000734159295 572636532 /nfs/dbraw/zinc/63/65/32/572636532.db2.gz LIAIQQBMZXPIJK-UHFFFAOYSA-N 1 1 287.309 3.267 20 30 CGEDMO CCCCCC[C@@H](C)NN=C1CC[N@@H+](C)[C@H](C)C1 ZINC000743450553 572663116 /nfs/dbraw/zinc/66/31/16/572663116.db2.gz MCEFGKKKGMRWRS-ZIAGYGMSSA-N 1 1 253.434 3.405 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000743865948 572693120 /nfs/dbraw/zinc/69/31/20/572693120.db2.gz HFJXJUQIHWMDHW-AWEZNQCLSA-N 1 1 282.428 3.284 20 30 CGEDMO C#CC[N@H+](CC)Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000746457405 572871531 /nfs/dbraw/zinc/87/15/31/572871531.db2.gz CESSKUMSLWTIJQ-UHFFFAOYSA-N 1 1 292.382 3.394 20 30 CGEDMO C[C@@H]1CC(N=Nc2ccc(C(F)(F)F)cc2)C[N@H+]1C ZINC000746575684 572881265 /nfs/dbraw/zinc/88/12/65/572881265.db2.gz GNYLFMHOYYKWOK-SECBINFHSA-N 1 1 271.286 3.197 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](O)c1ccc(F)cc1C ZINC000746675238 572891645 /nfs/dbraw/zinc/89/16/45/572891645.db2.gz RIVLKEIVQJFPSM-HNNXBMFYSA-N 1 1 251.345 3.066 20 30 CGEDMO C=C(Br)C[N@H+](CCC)C[C@H]1CCCCO1 ZINC000749290829 572991631 /nfs/dbraw/zinc/99/16/31/572991631.db2.gz CWPKQEODZKFLSF-GFCCVEGCSA-N 1 1 276.218 3.176 20 30 CGEDMO C=C(Br)C[N@@H+](CCC)C[C@H]1CCCCO1 ZINC000749290829 572991632 /nfs/dbraw/zinc/99/16/32/572991632.db2.gz CWPKQEODZKFLSF-GFCCVEGCSA-N 1 1 276.218 3.176 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)CCC2CCCC2)CC1 ZINC000980651522 613252235 /nfs/dbraw/zinc/25/22/35/613252235.db2.gz OEDQNKCCAQQUEN-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)CC2CC(C)(C)C2)CC1 ZINC000981813110 613252305 /nfs/dbraw/zinc/25/23/05/613252305.db2.gz CSZKIHGTYBSLQK-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@]2(C)CCC[C@@H]2C)CC1 ZINC000981898866 613254665 /nfs/dbraw/zinc/25/46/65/613254665.db2.gz SUCHCSKSUPSCIC-FUHWJXTLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H](C)C2CC2)CC1 ZINC000948276779 613256619 /nfs/dbraw/zinc/25/66/19/613256619.db2.gz AHIHOEQLPUFZIG-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[NH+]1CCN(C(=O)c2cc3ccccc3o2)CC1 ZINC000957546496 613260896 /nfs/dbraw/zinc/26/08/96/613260896.db2.gz ZSOGPDQZUVPUDP-UHFFFAOYSA-N 1 1 298.386 3.157 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2(C)CC(=C)C2)[C@H](C)C1 ZINC000942608205 613265441 /nfs/dbraw/zinc/26/54/41/613265441.db2.gz REXFASARCHJJBG-HZPDHXFCSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccsc2)C[C@H]1C ZINC000947027384 613267465 /nfs/dbraw/zinc/26/74/65/613267465.db2.gz RRIFCYKVXBQORT-UKRRQHHQSA-N 1 1 292.448 3.297 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2occc2C)C[C@@H]1C ZINC000947057194 613268404 /nfs/dbraw/zinc/26/84/04/613268404.db2.gz OGJNUCMYRUJVQV-LSDHHAIUSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cocc2C)C[C@@H]1C ZINC000947624020 613272752 /nfs/dbraw/zinc/27/27/52/613272752.db2.gz GCJIEPLVFKLHTJ-GJZGRUSLSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)C2(C)CC=CC2)C(C)(C)C1 ZINC000975012029 613273860 /nfs/dbraw/zinc/27/38/60/613273860.db2.gz LXWITEGMCMOMPA-OAHLLOKOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC=CCCC2)C1 ZINC000971778271 613284981 /nfs/dbraw/zinc/28/49/81/613284981.db2.gz MJJQAQJDZLNNGY-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccc3occc3c2)C1 ZINC000971581822 613286496 /nfs/dbraw/zinc/28/64/96/613286496.db2.gz GLHXUQIGQPOJPC-MRXNPFEDSA-N 1 1 298.386 3.155 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)[C@H]2CCC=CCCC2)CC1 ZINC000981433052 613311014 /nfs/dbraw/zinc/31/10/14/613311014.db2.gz JWPRIWQEIHGROL-KRWDZBQOSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)C2(C)CC(=C)C2)CC1 ZINC000948753741 613313772 /nfs/dbraw/zinc/31/37/72/613313772.db2.gz PFQKUHFZMGVELU-MRXNPFEDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)c2cocc2C)CC1 ZINC000948688586 613314365 /nfs/dbraw/zinc/31/43/65/613314365.db2.gz MMPYEVUUBFZIQT-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)C2CCC2)C1 ZINC000963247837 613315543 /nfs/dbraw/zinc/31/55/43/613315543.db2.gz PPYQMTLRZZSHCO-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)CC2CCCCC2)C1 ZINC000964770927 613323947 /nfs/dbraw/zinc/32/39/47/613323947.db2.gz JNLKWWVQYOIWFE-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2CCCCC2)C[C@H]1C ZINC000947000376 613327239 /nfs/dbraw/zinc/32/72/39/613327239.db2.gz HCGHBNJCVBAQJE-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC)o2)C[C@@H]1C ZINC000947454581 613329640 /nfs/dbraw/zinc/32/96/40/613329640.db2.gz MJHOJEAQDJYVDL-UONOGXRCSA-N 1 1 290.407 3.001 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C2=CCCCCC2)[C@@H](C)C1 ZINC000941991269 613334733 /nfs/dbraw/zinc/33/47/33/613334733.db2.gz DSKJMBCQWQAPPU-RDJZCZTQSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)C(F)=C2CCCC2)C(C)(C)C1 ZINC000973041189 613341317 /nfs/dbraw/zinc/34/13/17/613341317.db2.gz UXXXLTRORJPRMZ-AWEZNQCLSA-N 1 1 294.414 3.187 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)C2CCC(=C)CC2)C1 ZINC000972233545 613369530 /nfs/dbraw/zinc/36/95/30/613369530.db2.gz AXVHRCRMQQWROB-HNNXBMFYSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)C2CCC(=C)CC2)C1 ZINC000972233545 613369531 /nfs/dbraw/zinc/36/95/31/613369531.db2.gz AXVHRCRMQQWROB-HNNXBMFYSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC)CC2)C1 ZINC000961300637 613374144 /nfs/dbraw/zinc/37/41/44/613374144.db2.gz SXRIURLYTBYVSM-OAHLLOKOSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](N(C)C(=O)C2(C)CCC2)CC1 ZINC000948680083 613374384 /nfs/dbraw/zinc/37/43/84/613374384.db2.gz DNBLYYFWONTDNI-AWEZNQCLSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C(C)=C2CCC2)[C@H](C)C1 ZINC000942041370 613375930 /nfs/dbraw/zinc/37/59/30/613375930.db2.gz LUHACLAPNUSXTL-IAQYHMDHSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C(C)=C2CCC2)[C@H](C)C1 ZINC000942041370 613375931 /nfs/dbraw/zinc/37/59/31/613375931.db2.gz LUHACLAPNUSXTL-IAQYHMDHSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CCCCC2)C[C@H]1C ZINC000946994255 613376521 /nfs/dbraw/zinc/37/65/21/613376521.db2.gz CLEWLSZXEAWDBF-UKRRQHHQSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CCCCC2)C[C@H]1C ZINC000946994255 613376522 /nfs/dbraw/zinc/37/65/22/613376522.db2.gz CLEWLSZXEAWDBF-UKRRQHHQSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CC=C(C)C)CC[C@H]2C)C1 ZINC000968276153 613399099 /nfs/dbraw/zinc/39/90/99/613399099.db2.gz VDQYGIDAAUVAJS-HZPDHXFCSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](CC(C)C)[C@@H](C)C2)CC1 ZINC000947686488 613410137 /nfs/dbraw/zinc/41/01/37/613410137.db2.gz ZGHPYAUSRVLGCG-DOTOQJQBSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC([C@H]2CCC[N@H+](CC)C2)CC1 ZINC000961392961 613429824 /nfs/dbraw/zinc/42/98/24/613429824.db2.gz NLVYITOYWYQLMG-INIZCTEOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC(C)(C)C(=O)N1C[C@]2(C)C[N@H+](CC(C)C)C[C@]2(C)C1 ZINC000982431157 613443767 /nfs/dbraw/zinc/44/37/67/613443767.db2.gz GBVWCYZPCLZAFQ-HDICACEKSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCC[N@H+]1CCCC2(CN(C(=O)CC3CCCC3)C2)C1 ZINC000981593370 613488681 /nfs/dbraw/zinc/48/86/81/613488681.db2.gz XCJZGDLMDKTYRF-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](N(C)C(=O)C2(C)CC(=C)C2)CC1 ZINC000948758632 613499121 /nfs/dbraw/zinc/49/91/21/613499121.db2.gz JQDYFMOBRMPYNI-MRXNPFEDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2(C)CC2)C1 ZINC000963308435 613500337 /nfs/dbraw/zinc/50/03/37/613500337.db2.gz DUQLRAUJKYSFSY-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](N(C)C(=O)C2(C)CCCC2)CC1 ZINC000948655978 613500984 /nfs/dbraw/zinc/50/09/84/613500984.db2.gz QNDKLPCDGUCQQH-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[NH+]1CCN(C(=O)[C@H](F)CC2CCCCC2)CC1 ZINC000957340174 613507542 /nfs/dbraw/zinc/50/75/42/613507542.db2.gz GHRIRRSKYNPAQC-MRXNPFEDSA-N 1 1 296.430 3.015 20 30 CGEDMO C=Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC(=C)C)[C@@H](C)C2)cc1 ZINC000947735043 613514709 /nfs/dbraw/zinc/51/47/09/613514709.db2.gz INZOOTDCZGKJRY-MAUKXSAKSA-N 1 1 298.430 3.488 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccccc2C)C1 ZINC000964767729 613517956 /nfs/dbraw/zinc/51/79/56/613517956.db2.gz BDPXROPXHPLHMW-NVXWUHKLSA-N 1 1 286.419 3.011 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)C2(C)CCCCC2)[C@@H](C)C1 ZINC000942596473 613519385 /nfs/dbraw/zinc/51/93/85/613519385.db2.gz AXRXRSZBGZGMAF-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C=C2CCCCC2)C[C@H]1C ZINC000947109431 613520215 /nfs/dbraw/zinc/52/02/15/613520215.db2.gz VILSREDAWXMQHK-NVXWUHKLSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Cl)o2)C[C@H]1C ZINC000947060287 613524324 /nfs/dbraw/zinc/52/43/24/613524324.db2.gz AUNOKZVXIZOGPL-VXGBXAGGSA-N 1 1 296.798 3.092 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2(C)CCCC2)C[C@H]1C ZINC000947584267 613534165 /nfs/dbraw/zinc/53/41/65/613534165.db2.gz HGYHXAJOLUGUSG-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@H](C)C1 ZINC000944226466 613537188 /nfs/dbraw/zinc/53/71/88/613537188.db2.gz IWDCADQZSOJJLP-VQHPVUNQSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)c2ccccc2C)[C@H](C)C1 ZINC000941767548 613539132 /nfs/dbraw/zinc/53/91/32/613539132.db2.gz GVJYHBFVUIXOTL-WBVHZDCISA-N 1 1 286.419 3.011 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](NC(=O)C2CCCCCC2)C(C)(C)C1 ZINC000972852071 613543293 /nfs/dbraw/zinc/54/32/93/613543293.db2.gz LZLUJCXEMIETCR-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)c2cccc(C3CCC3)c2)C1 ZINC000972727110 613637554 /nfs/dbraw/zinc/63/75/54/613637554.db2.gz AKYPYQDWFAYJNA-SFHVURJKSA-N 1 1 298.430 3.286 20 30 CGEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)c3cc(C)cc(C)c3)C2)C1 ZINC000982130114 613681999 /nfs/dbraw/zinc/68/19/99/613681999.db2.gz BIBYSKMNKGRADU-UHFFFAOYSA-N 1 1 298.430 3.027 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccc(CC)o1 ZINC000968914132 613684583 /nfs/dbraw/zinc/68/45/83/613684583.db2.gz OSDIHTBNSGZSSL-CQSZACIVSA-N 1 1 290.407 3.002 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)c2c(C)coc2C)CC1 ZINC000948346887 613705162 /nfs/dbraw/zinc/70/51/62/613705162.db2.gz YNKZOHCSAICPGP-HNNXBMFYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC)s2)C[C@H]1C ZINC000947516746 613752772 /nfs/dbraw/zinc/75/27/72/613752772.db2.gz WYDZDEJCLWDFRD-CHWSQXEVSA-N 1 1 292.448 3.079 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccoc2C(C)C)[C@H](C)C1 ZINC000945332704 613756710 /nfs/dbraw/zinc/75/67/10/613756710.db2.gz FVMRBIMTBANUES-UKRRQHHQSA-N 1 1 290.407 3.029 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)c2cccc(C3CC3)c2)[C@H](C)C1 ZINC000945221655 613791506 /nfs/dbraw/zinc/79/15/06/613791506.db2.gz KKZKILAKIFMUMQ-KDOFPFPSSA-N 1 1 298.430 3.190 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccsc2Cl)C[C@H]1C ZINC000947779392 613794706 /nfs/dbraw/zinc/79/47/06/613794706.db2.gz OZOAPZVOADQNPR-MNOVXSKESA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2sc(C)cc2C)C[C@H]1C ZINC000947352523 613802057 /nfs/dbraw/zinc/80/20/57/613802057.db2.gz MEGDEUGEEYKMFT-OCCSQVGLSA-N 1 1 292.448 3.134 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)CC2CCCCCC2)C(C)(C)C1 ZINC000975089376 613806350 /nfs/dbraw/zinc/80/63/50/613806350.db2.gz DPEAOXORIWTMEM-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC(C)(C)C2)C(C)(C)C1 ZINC000977650128 613808599 /nfs/dbraw/zinc/80/85/99/613808599.db2.gz MHBDKXMWIFHCLD-LSDHHAIUSA-N 1 1 292.467 3.215 20 30 CGEDMO CCCCCCCC[C@@H]([NH3+])c1nc(-c2ncc[nH]2)no1 ZINC000900014908 620746330 /nfs/dbraw/zinc/74/63/30/620746330.db2.gz FJANMWUDRUARJO-LLVKDONJSA-N 1 1 277.372 3.210 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC2CC2)C1 ZINC001021494983 618012099 /nfs/dbraw/zinc/01/20/99/618012099.db2.gz FYWZIHYLSAZZOO-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC2CCCC2)C1 ZINC001021508138 618016084 /nfs/dbraw/zinc/01/60/84/618016084.db2.gz GBZDCBIQALUYAK-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO CC(C)C[N@H+](CCC#N)CCC(=O)c1ccc(F)cc1 ZINC000050142652 618056253 /nfs/dbraw/zinc/05/62/53/618056253.db2.gz SUCMBTKOJIHLAR-UHFFFAOYSA-N 1 1 276.355 3.270 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)CCC(=O)c1ccc(F)cc1 ZINC000050142652 618056256 /nfs/dbraw/zinc/05/62/56/618056256.db2.gz SUCMBTKOJIHLAR-UHFFFAOYSA-N 1 1 276.355 3.270 20 30 CGEDMO CC(C)C[C@H]1CN(C)CC[N@H+]1CCCCC(C)(C)C#N ZINC000933252629 618175197 /nfs/dbraw/zinc/17/51/97/618175197.db2.gz ZCUGXIQWVUCXDH-INIZCTEOSA-N 1 1 279.472 3.369 20 30 CGEDMO C#CCOc1ccccc1CNc1cccc(C)[nH+]1 ZINC000121590523 618325124 /nfs/dbraw/zinc/32/51/24/618325124.db2.gz HKNHVAXDRDQTHJ-UHFFFAOYSA-N 1 1 252.317 3.014 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+]1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000933818311 618336054 /nfs/dbraw/zinc/33/60/54/618336054.db2.gz HOGJKHZNAVUNKM-SFHVURJKSA-N 1 1 282.387 3.194 20 30 CGEDMO CCCO[C@H]1CCC[N@@H+](Cc2csc(C#N)c2)CC1 ZINC000892008813 618485959 /nfs/dbraw/zinc/48/59/59/618485959.db2.gz WTGDQZBSLKHDRZ-AWEZNQCLSA-N 1 1 278.421 3.401 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1nnc(-c2ccccc2)s1 ZINC000934460388 618622845 /nfs/dbraw/zinc/62/28/45/618622845.db2.gz HUDDPEPHQXETRG-ZDUSSCGKSA-N 1 1 271.389 3.356 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1nnc(-c2ccccc2)s1 ZINC000934460388 618622846 /nfs/dbraw/zinc/62/28/46/618622846.db2.gz HUDDPEPHQXETRG-ZDUSSCGKSA-N 1 1 271.389 3.356 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1ccn(-c2ccccc2F)n1 ZINC000934461698 618624312 /nfs/dbraw/zinc/62/43/12/618624312.db2.gz OIURPBLXCNYNPL-AWEZNQCLSA-N 1 1 271.339 3.162 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1ccn(-c2ccccc2F)n1 ZINC000934461698 618624315 /nfs/dbraw/zinc/62/43/15/618624315.db2.gz OIURPBLXCNYNPL-AWEZNQCLSA-N 1 1 271.339 3.162 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1C1CC(OCc2ccccc2)C1 ZINC000934464786 618626209 /nfs/dbraw/zinc/62/62/09/618626209.db2.gz PMYKKAUBVUHWGA-KLAILNCOSA-N 1 1 257.377 3.385 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1cnc2c(cnn2C(C)C)c1 ZINC000934468518 618626637 /nfs/dbraw/zinc/62/66/37/618626637.db2.gz FXURZDFYMXPBTP-OAHLLOKOSA-N 1 1 270.380 3.163 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1ccn(-c2cccc(F)c2)n1 ZINC000934469209 618626811 /nfs/dbraw/zinc/62/68/11/618626811.db2.gz QLGIYYXYSSRSGM-HNNXBMFYSA-N 1 1 271.339 3.162 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1ccn(-c2cccc(F)c2)n1 ZINC000934469209 618626814 /nfs/dbraw/zinc/62/68/14/618626814.db2.gz QLGIYYXYSSRSGM-HNNXBMFYSA-N 1 1 271.339 3.162 20 30 CGEDMO CC#CCC[N@H+]1[C@H](C)CO[C@H](c2ccccc2)[C@@H]1C ZINC000155666526 618704373 /nfs/dbraw/zinc/70/43/73/618704373.db2.gz DHZQUFWZVASCCL-VYDXJSESSA-N 1 1 257.377 3.250 20 30 CGEDMO C#CC[N@H+](C[C@@H](O)c1ccc(F)cc1C)C1CCCC1 ZINC000155779315 618705285 /nfs/dbraw/zinc/70/52/85/618705285.db2.gz UPJRNVAXKKIEBQ-QGZVFWFLSA-N 1 1 275.367 3.045 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000930601559 619028556 /nfs/dbraw/zinc/02/85/56/619028556.db2.gz IKWMVFLEMLNYQW-IBGZPJMESA-N 1 1 297.446 3.093 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000930601559 619028561 /nfs/dbraw/zinc/02/85/61/619028561.db2.gz IKWMVFLEMLNYQW-IBGZPJMESA-N 1 1 297.446 3.093 20 30 CGEDMO C#C[C@H](C)[NH2+]Cc1nc2ccc(Br)cc2s1 ZINC000309821822 619054553 /nfs/dbraw/zinc/05/45/53/619054553.db2.gz WMNRQYDMBRAVFM-QMMMGPOBSA-N 1 1 295.205 3.170 20 30 CGEDMO N#Cc1ccc(OCC[N@H+]2CCC3(CCCC3)C2)cc1 ZINC000312411020 619073640 /nfs/dbraw/zinc/07/36/40/619073640.db2.gz WZOVKDZGOCBBBJ-UHFFFAOYSA-N 1 1 270.376 3.203 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C2CCC=CCC2)C1 ZINC001009558779 619177591 /nfs/dbraw/zinc/17/75/91/619177591.db2.gz JGTKDNIFUBHISE-QGZVFWFLSA-N 1 1 290.451 3.280 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000931754176 619249121 /nfs/dbraw/zinc/24/91/21/619249121.db2.gz ZPCDRPKUCGUACO-FUHWJXTLSA-N 1 1 284.403 3.176 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931920638 619275517 /nfs/dbraw/zinc/27/55/17/619275517.db2.gz ZTHJVNGKJDWBCO-MNOVXSKESA-N 1 1 263.278 3.155 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)cs1 ZINC000894485015 619550663 /nfs/dbraw/zinc/55/06/63/619550663.db2.gz JQLLLCFGNOXTIO-UONOGXRCSA-N 1 1 290.432 3.258 20 30 CGEDMO CCc1[nH+]c(C=NOC[C@@H](C)CC)c2ccccn12 ZINC000793162298 619701270 /nfs/dbraw/zinc/70/12/70/619701270.db2.gz ABALTTAUCRLMOX-LBPRGKRZSA-N 1 1 259.353 3.293 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@@H](CC#N)C2)c(C2CCCC2)n1 ZINC000895311265 619803438 /nfs/dbraw/zinc/80/34/38/619803438.db2.gz XBCUZAHVTKZLTH-AWEZNQCLSA-N 1 1 286.423 3.203 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)cs1 ZINC000895403971 619823468 /nfs/dbraw/zinc/82/34/68/619823468.db2.gz HWOPFFMBJMGNCR-ZBFHGGJFSA-N 1 1 290.432 3.401 20 30 CGEDMO C=CCc1cc(C[N@H+]2CCC[C@@H](CF)C2)cc(OC)c1O ZINC000895545093 619847269 /nfs/dbraw/zinc/84/72/69/619847269.db2.gz BEZJBMKTSPGDJL-ZDUSSCGKSA-N 1 1 293.382 3.311 20 30 CGEDMO C=C(C)C[C@H]([NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)C(=O)OCC ZINC000895593232 619857667 /nfs/dbraw/zinc/85/76/67/619857667.db2.gz YDINOQPCQAGKJF-ILXRZTDVSA-N 1 1 297.439 3.068 20 30 CGEDMO C[C@@H]1[C@H](Nc2cccc(C(F)F)c2C#N)CC[N@H+]1C ZINC000895735929 619879917 /nfs/dbraw/zinc/87/99/17/619879917.db2.gz INECXDCLYGJVMI-BXKDBHETSA-N 1 1 265.307 3.000 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)cc1 ZINC000895847231 619896272 /nfs/dbraw/zinc/89/62/72/619896272.db2.gz SXUSDJBELPDGRX-MJGOQNOKSA-N 1 1 299.414 3.090 20 30 CGEDMO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H](C#N)C2)cc1 ZINC000896505928 620018767 /nfs/dbraw/zinc/01/87/67/620018767.db2.gz QACROHZLWZACAE-MRXNPFEDSA-N 1 1 271.408 3.268 20 30 CGEDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](C#N)C2)cc1 ZINC000896505928 620018770 /nfs/dbraw/zinc/01/87/70/620018770.db2.gz QACROHZLWZACAE-MRXNPFEDSA-N 1 1 271.408 3.268 20 30 CGEDMO Cc1cc(CO)cc(C)c1C[NH2+]Cc1cccc(F)c1C#N ZINC000896562404 620027180 /nfs/dbraw/zinc/02/71/80/620027180.db2.gz VRLKEBVNCYCELV-UHFFFAOYSA-N 1 1 298.361 3.096 20 30 CGEDMO CCc1[nH+]c2ccccc2c(N2CCO[C@@](C)(C#N)C2)c1C ZINC000896860420 620078017 /nfs/dbraw/zinc/07/80/17/620078017.db2.gz PNLFSVLWPXUETI-SFHVURJKSA-N 1 1 295.386 3.225 20 30 CGEDMO C=C1CCC(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000897101756 620144284 /nfs/dbraw/zinc/14/42/84/620144284.db2.gz TVGDLZMYQDCAIR-MRXNPFEDSA-N 1 1 292.467 3.217 20 30 CGEDMO C[C@@H]1C/C(=C/c2c[nH+]c(N(C)C)n2C)C(=O)c2ccccc21 ZINC000840717684 620172949 /nfs/dbraw/zinc/17/29/49/620172949.db2.gz WPHCKTKUHAKQGB-YGYTWAPGSA-N 1 1 295.386 3.260 20 30 CGEDMO CN(C)c1[nH+]cc(/C=C\C(=O)c2cccc(C3CC3)c2)n1C ZINC000840719662 620187574 /nfs/dbraw/zinc/18/75/74/620187574.db2.gz KJFPAPUWBZPXJT-KTKRTIGZSA-N 1 1 295.386 3.260 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@@H](F)C2)CC1 ZINC000985434850 620188475 /nfs/dbraw/zinc/18/84/75/620188475.db2.gz VPEQNCARPCWXRD-HUUCEWRRSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC(C)=C(C)C2)CC1 ZINC000985448910 620191638 /nfs/dbraw/zinc/19/16/38/620191638.db2.gz DNDFUCWEFOUQHK-MRXNPFEDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)C[C@H]2C=CCCC2)CC1 ZINC000985500712 620201973 /nfs/dbraw/zinc/20/19/73/620201973.db2.gz RVHLCRBEKGWBKY-INIZCTEOSA-N 1 1 290.451 3.232 20 30 CGEDMO Cc1cccc(NC(=[NH2+])NCc2nc3cccc(C)c3[nH]2)c1 ZINC000305692166 620204112 /nfs/dbraw/zinc/20/41/12/620204112.db2.gz CAIWSAJIOYPYFU-UHFFFAOYSA-N 1 1 293.374 3.107 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)C[C@@H]2CC[C@H](C)C2)CC1 ZINC000985584232 620215815 /nfs/dbraw/zinc/21/58/15/620215815.db2.gz GPHYUAMNVZSHKC-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@H]2CCC[C@H]2CC)CC1 ZINC000985636295 620223888 /nfs/dbraw/zinc/22/38/88/620223888.db2.gz IQIBJYLQKMBQMR-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2F)C1 ZINC000862445166 620298970 /nfs/dbraw/zinc/29/89/70/620298970.db2.gz NJCGJFOJYACDMW-LLVKDONJSA-N 1 1 251.732 3.324 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](CCSCc2ccccc2)C1 ZINC000862445653 620299079 /nfs/dbraw/zinc/29/90/79/620299079.db2.gz YVAHORZLSXCAOY-OAHLLOKOSA-N 1 1 259.418 3.265 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000053096016 620330798 /nfs/dbraw/zinc/33/07/98/620330798.db2.gz CAJLJRKVOXKKAM-CYBMUJFWSA-N 1 1 279.767 3.347 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000053096016 620330801 /nfs/dbraw/zinc/33/08/01/620330801.db2.gz CAJLJRKVOXKKAM-CYBMUJFWSA-N 1 1 279.767 3.347 20 30 CGEDMO CC(C)(C)c1coc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)n1 ZINC000897945018 620453254 /nfs/dbraw/zinc/45/32/54/620453254.db2.gz WJMWJGANINSCEI-NEPJUHHUSA-N 1 1 261.369 3.144 20 30 CGEDMO C#CC[N@@H+](C[C@@H]1CCSC1)[C@H]1CCc2ccccc21 ZINC000787042642 620476562 /nfs/dbraw/zinc/47/65/62/620476562.db2.gz RFEORLJBPDLUKZ-YOEHRIQHSA-N 1 1 271.429 3.362 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CC=CCC3)CCC[C@@H]12 ZINC000989945688 620533083 /nfs/dbraw/zinc/53/30/83/620533083.db2.gz PFXBSAURKLXPGF-LZLYRXPVSA-N 1 1 288.435 3.032 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)cc1 ZINC000787770799 620543002 /nfs/dbraw/zinc/54/30/02/620543002.db2.gz WUMFJGJQGALUGQ-UHFFFAOYSA-N 1 1 278.399 3.366 20 30 CGEDMO Cc1nc2c(o1)CCC[C@@H]2[NH2+]Cc1ccc(C)c(C#N)c1 ZINC000926961087 620555147 /nfs/dbraw/zinc/55/51/47/620555147.db2.gz HYJZIBMDKKHDSS-HNNXBMFYSA-N 1 1 281.359 3.330 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)C(C)=C3CCC3)CCC[C@H]12 ZINC000990608878 620557028 /nfs/dbraw/zinc/55/70/28/620557028.db2.gz AHDXAAOMURRSTI-FUHWJXTLSA-N 1 1 288.435 3.176 20 30 CGEDMO C[C@H]([NH2+][C@H]1CCCc2cccnc21)c1cc(C#N)ccn1 ZINC000927062401 620569572 /nfs/dbraw/zinc/56/95/72/620569572.db2.gz MFSFTXJCRAQGHH-WFASDCNBSA-N 1 1 278.359 3.076 20 30 CGEDMO CC(C)c1ccc[nH+]c1NCc1cccc(C#N)n1 ZINC000902065538 621134923 /nfs/dbraw/zinc/13/49/23/621134923.db2.gz JDTOAHHQOBSJPD-UHFFFAOYSA-N 1 1 252.321 3.084 20 30 CGEDMO CCCc1[nH+]ccn1Cc1cc(Cl)cc(C#N)c1 ZINC000902299102 621244562 /nfs/dbraw/zinc/24/45/62/621244562.db2.gz XDWYRUROEIYJSB-UHFFFAOYSA-N 1 1 259.740 3.409 20 30 CGEDMO C=CCc1cccc(F)c1OCCCc1c[nH+]cn1C ZINC000902446151 621323115 /nfs/dbraw/zinc/32/31/15/621323115.db2.gz RQGBTDLFHTWGSN-UHFFFAOYSA-N 1 1 274.339 3.299 20 30 CGEDMO CC[C@H]([NH2+]C1CCN(C(C)C)CC1)c1cccc(C#N)c1 ZINC000902850317 621472321 /nfs/dbraw/zinc/47/23/21/621472321.db2.gz LOENKTYMMSBUPQ-SFHVURJKSA-N 1 1 285.435 3.472 20 30 CGEDMO CC[C@H](NC1CC[NH+](C(C)C)CC1)c1cccc(C#N)c1 ZINC000902850317 621472324 /nfs/dbraw/zinc/47/23/24/621472324.db2.gz LOENKTYMMSBUPQ-SFHVURJKSA-N 1 1 285.435 3.472 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc2c(n1)CCCC2)c1cc(C#N)ccn1 ZINC000902973127 621517703 /nfs/dbraw/zinc/51/77/03/621517703.db2.gz ONAYTKYWSPBXNN-CYBMUJFWSA-N 1 1 292.386 3.078 20 30 CGEDMO Cc1nc2c(s1)[C@H]([NH2+]CC1(C#N)CCC1)CCC2 ZINC000903030434 621535514 /nfs/dbraw/zinc/53/55/14/621535514.db2.gz BEMOZMQREPMEFH-LLVKDONJSA-N 1 1 261.394 3.112 20 30 CGEDMO N#CC1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000903032647 621536877 /nfs/dbraw/zinc/53/68/77/621536877.db2.gz LBGOPJQDDIKZJU-HNNXBMFYSA-N 1 1 285.347 3.256 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CCC1)c1ccc(Br)nc1 ZINC000903035410 621537642 /nfs/dbraw/zinc/53/76/42/621537642.db2.gz OQMWDJKAGQSIKX-JTQLQIEISA-N 1 1 294.196 3.189 20 30 CGEDMO COc1ccc([C@H](C)[NH2+]CC(C)(C)C#N)c(C)c1OC ZINC000903102027 621575983 /nfs/dbraw/zinc/57/59/83/621575983.db2.gz PYVQIPJNWVQYQF-LBPRGKRZSA-N 1 1 276.380 3.213 20 30 CGEDMO N#CC1(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000903106196 621579905 /nfs/dbraw/zinc/57/99/05/621579905.db2.gz NKCMFCLSFCCBST-CYBMUJFWSA-N 1 1 276.767 3.447 20 30 CGEDMO COc1cccc2c1CCC[C@@H]2[NH2+]Cc1nc(C#N)cs1 ZINC000903262683 621647985 /nfs/dbraw/zinc/64/79/85/621647985.db2.gz GRKZIGFBLIFPHD-AWEZNQCLSA-N 1 1 299.399 3.191 20 30 CGEDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ccc(CCC#N)cc1 ZINC000903298109 621666752 /nfs/dbraw/zinc/66/67/52/621666752.db2.gz NLUPXIUEEHRMET-GUYCJALGSA-N 1 1 269.392 3.037 20 30 CGEDMO C=CCC[C@@H]([NH2+][C@H](CCN(C)C)c1cccnc1)C1CC1 ZINC000903378881 621721319 /nfs/dbraw/zinc/72/13/19/621721319.db2.gz FCBIQYNVMGBHQF-QZTJIDSGSA-N 1 1 287.451 3.409 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccc(COC)cc2)no1 ZINC000904566303 621938416 /nfs/dbraw/zinc/93/84/16/621938416.db2.gz RRZZHRLICTZZOT-CQSZACIVSA-N 1 1 287.363 3.239 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccc3nccnc3c2)no1 ZINC000904613887 621945838 /nfs/dbraw/zinc/94/58/38/621945838.db2.gz XRXHYHOSGMAMPP-GFCCVEGCSA-N 1 1 295.346 3.036 20 30 CGEDMO C=CC[C@H]([NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)OC ZINC000905768783 622108979 /nfs/dbraw/zinc/10/89/79/622108979.db2.gz UTPBMCHTOTZLBN-UTUOFQBUSA-N 1 1 293.329 3.062 20 30 CGEDMO CC[N@@H+]1CCCC[C@@H]1C(=O)OCCCCC1(C#N)CCC1 ZINC000909021365 622385838 /nfs/dbraw/zinc/38/58/38/622385838.db2.gz SJQLEFFTBQRAGE-OAHLLOKOSA-N 1 1 292.423 3.268 20 30 CGEDMO CC[N@H+]1CCCC[C@@H]1C(=O)OCCCCC1(C#N)CCC1 ZINC000909021365 622385842 /nfs/dbraw/zinc/38/58/42/622385842.db2.gz SJQLEFFTBQRAGE-OAHLLOKOSA-N 1 1 292.423 3.268 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCCC3(C)C)CCC[C@@H]12 ZINC000992120951 623440002 /nfs/dbraw/zinc/44/00/02/623440002.db2.gz VJNDZNBMUFDBLB-HDMKZQKVSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)c3ccc(C)cc3)CCC[C@@H]12 ZINC000992417586 623551333 /nfs/dbraw/zinc/55/13/33/623551333.db2.gz ABZCPJKKAJWDIN-IEBWSBKVSA-N 1 1 298.430 3.298 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3cc(C)ccc3C)CCC[C@H]12 ZINC000992453053 623568817 /nfs/dbraw/zinc/56/88/17/623568817.db2.gz DPMCMMJFXGBRDG-HKUYNNGSSA-N 1 1 298.430 3.216 20 30 CGEDMO CC#CC[N@H+](CCC)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000152622179 623695316 /nfs/dbraw/zinc/69/53/16/623695316.db2.gz CYBFTNNPOFPHDB-UHFFFAOYSA-N 1 1 294.439 3.121 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2sccc2C)[C@H]1C ZINC000992982096 623770916 /nfs/dbraw/zinc/77/09/16/623770916.db2.gz MGJUFYUWDLNBEX-KGLIPLIRSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)o2)[C@H]1C ZINC000993036734 623799971 /nfs/dbraw/zinc/79/99/71/623799971.db2.gz LTYRHVVYXZASRE-VXGBXAGGSA-N 1 1 296.798 3.092 20 30 CGEDMO CC(C)CO[C@H]1CC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000929835707 623820407 /nfs/dbraw/zinc/82/04/07/623820407.db2.gz RTWZWDOOASPRGV-GPANFISMSA-N 1 1 264.413 3.063 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2oc(C)cc2C)[C@H]1C ZINC000993143022 623866915 /nfs/dbraw/zinc/86/69/15/623866915.db2.gz GILSOMFGQNFBEF-CABCVRRESA-N 1 1 290.407 3.055 20 30 CGEDMO CC#CCC[N@H+]1CCCC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000764955425 623971206 /nfs/dbraw/zinc/97/12/06/623971206.db2.gz YWYMDZPCKLPEOO-HUUCEWRRSA-N 1 1 294.439 3.168 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3occc3c2)[C@H]1C ZINC000993386396 624039620 /nfs/dbraw/zinc/03/96/20/624039620.db2.gz VKAJVQJETSSYQJ-CJNGLKHVSA-N 1 1 298.386 3.202 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2occc2CC)[C@H]1C ZINC000993788783 624063521 /nfs/dbraw/zinc/06/35/21/624063521.db2.gz LDUWWUOEJSZNEW-UKRRQHHQSA-N 1 1 290.407 3.001 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](CCC(C)C)[C@H]2C)C1 ZINC000993787747 624063588 /nfs/dbraw/zinc/06/35/88/624063588.db2.gz IXDSWEHINCVJMN-JKSUJKDBSA-N 1 1 292.467 3.358 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C(C)C)c2)[C@H]1C ZINC000994149452 624070031 /nfs/dbraw/zinc/07/00/31/624070031.db2.gz QVCOPQYEYBVHQN-CRAIPNDOSA-N 1 1 298.430 3.026 20 30 CGEDMO CC(=[NH+]Nc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000916246037 624130342 /nfs/dbraw/zinc/13/03/42/624130342.db2.gz VISCWWPZJRVTAJ-UHFFFAOYSA-N 1 1 295.386 3.359 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@H]1C ZINC000994256419 624157500 /nfs/dbraw/zinc/15/75/00/624157500.db2.gz XTCHSEIWFNVYHL-VQHPVUNQSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC)cc2)[C@H]1C ZINC000994349839 624205163 /nfs/dbraw/zinc/20/51/63/624205163.db2.gz KDCSJRGURSUJSV-PBHICJAKSA-N 1 1 286.419 3.018 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C2CCC=CCC2)[C@H]1C ZINC000994447071 624225624 /nfs/dbraw/zinc/22/56/24/624225624.db2.gz BATBQPWKWBUTSU-WBVHZDCISA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC[N@H+](CCC(=O)Nc1ccc(F)cc1)C(C)C ZINC000917069768 624234375 /nfs/dbraw/zinc/23/43/75/624234375.db2.gz VDRHJXQBCLADEO-UHFFFAOYSA-N 1 1 264.344 3.051 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2sccc2CC)[C@H]1C ZINC000994483820 624240234 /nfs/dbraw/zinc/24/02/34/624240234.db2.gz IFNZWHGXEBDEMV-OCCSQVGLSA-N 1 1 292.448 3.079 20 30 CGEDMO C=CC[N@H+](Cc1cc(=O)oc2cc(OC)ccc12)C(C)C ZINC000917166726 624248657 /nfs/dbraw/zinc/24/86/57/624248657.db2.gz CKOHWLJFNGLMLD-UHFFFAOYSA-N 1 1 287.359 3.198 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OCc2nccn2C)cc1)C(C)C ZINC000917405108 624266893 /nfs/dbraw/zinc/26/68/93/624266893.db2.gz CXAFXAHMVWKORD-UHFFFAOYSA-N 1 1 299.418 3.396 20 30 CGEDMO C#CC[N@H+](Cc1ccc(CO)cc1)[C@H]1CCc2ccccc21 ZINC000182687266 625025233 /nfs/dbraw/zinc/02/52/33/625025233.db2.gz STIBKSOGYYUHOR-FQEVSTJZSA-N 1 1 291.394 3.302 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](N(CC)C(=O)C2=CCCC2)CC1 ZINC000997973270 625778892 /nfs/dbraw/zinc/77/88/92/625778892.db2.gz WZQGGDGLVPQYBW-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)C2CC(C)(C)C2)CC1 ZINC000998005586 625781390 /nfs/dbraw/zinc/78/13/90/625781390.db2.gz QLORVWGVYNYJPQ-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2CC)CC1 ZINC000998122068 625790827 /nfs/dbraw/zinc/79/08/27/625790827.db2.gz UIRMWOMEVXFSMT-IXDOHACOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2cc(C)ccc2C)C1 ZINC001016097648 625794786 /nfs/dbraw/zinc/79/47/86/625794786.db2.gz UFRZBBRCGHLWSZ-MRXNPFEDSA-N 1 1 286.419 3.074 20 30 CGEDMO C[NH+](C)CC[C@@H]([NH2+]Cc1csc(C#N)c1)C(C)(C)C ZINC000921749781 625863504 /nfs/dbraw/zinc/86/35/04/625863504.db2.gz QDXZLXOSJWYKHB-CQSZACIVSA-N 1 1 279.453 3.076 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)C2CCCCC2)CC1 ZINC001000388883 625869871 /nfs/dbraw/zinc/86/98/71/625869871.db2.gz QNWDBYKUWHTDGQ-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCC2(C)C)CC1 ZINC001001052815 625887998 /nfs/dbraw/zinc/88/79/98/625887998.db2.gz XLVIFKVSYRWTQX-INIZCTEOSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC2(C)C)CC1 ZINC001001071488 625888765 /nfs/dbraw/zinc/88/87/65/625888765.db2.gz WXBSRMTXHUXHFM-MRXNPFEDSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc([C@H](C)CC)cc2)C1 ZINC001016346921 625968873 /nfs/dbraw/zinc/96/88/73/625968873.db2.gz XMTUTDCKFLYMGC-PBHICJAKSA-N 1 1 286.419 3.190 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001016375484 625976109 /nfs/dbraw/zinc/97/61/09/625976109.db2.gz XPYKTCHWYPKEJI-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CC1([NH2+]Cc2nc(C)c(Br)s2)CCCC1 ZINC000922335010 626000102 /nfs/dbraw/zinc/00/01/02/626000102.db2.gz OGHRPCHRFSAFNJ-UHFFFAOYSA-N 1 1 299.237 3.250 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C)CC)CC1 ZINC001004335621 626040221 /nfs/dbraw/zinc/04/02/21/626040221.db2.gz DAUHEJHKWGILIA-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2(CC)CC2)CC1 ZINC001004539972 626065712 /nfs/dbraw/zinc/06/57/12/626065712.db2.gz ODRVCHDCVLCJPJ-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C[C@]1([NH2+]Cc2ccccc2C#N)CCOc2ccccc21 ZINC000923025021 626120883 /nfs/dbraw/zinc/12/08/83/626120883.db2.gz MRNDTNAQPZAZST-SFHVURJKSA-N 1 1 278.355 3.346 20 30 CGEDMO CCC[N@@H+](C[C@H](O)CC#N)[C@@H](CC)c1ccccc1 ZINC000929383930 626150573 /nfs/dbraw/zinc/15/05/73/626150573.db2.gz ZJVYEZHDDYBGNE-CVEARBPZSA-N 1 1 260.381 3.124 20 30 CGEDMO C[C@H]1C[N@H+](Cc2ccccc2)CC1=NNC1CCCC1 ZINC000751525966 626394155 /nfs/dbraw/zinc/39/41/55/626394155.db2.gz KOLKFUOVKSLVHZ-AWEZNQCLSA-N 1 1 271.408 3.027 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC1=NNC1CCCC1 ZINC000751525966 626394160 /nfs/dbraw/zinc/39/41/60/626394160.db2.gz KOLKFUOVKSLVHZ-AWEZNQCLSA-N 1 1 271.408 3.027 20 30 CGEDMO C[C@H]1CC(N=Nc2ccc(OC(F)F)cc2)C[N@H+]1C1CC1 ZINC000753960396 626470173 /nfs/dbraw/zinc/47/01/73/626470173.db2.gz QXBCNQSHBCNGTO-JTQLQIEISA-N 1 1 295.333 3.313 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@@H+](C)CC(C)C)c1O ZINC000754719612 626584525 /nfs/dbraw/zinc/58/45/25/626584525.db2.gz FTDYFYONSFTYLJ-UHFFFAOYSA-N 1 1 263.381 3.217 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@H+]2CC[C@H](C)[C@H]2C)c1O ZINC000754736088 626585554 /nfs/dbraw/zinc/58/55/54/626585554.db2.gz FTHFWXGLLVWJEL-QWHCGFSZSA-N 1 1 275.392 3.360 20 30 CGEDMO C=CCc1cc(C[N@H+]2C[C@H](C)C[C@H]2C)c(O)c(OC)c1 ZINC000754740785 626585961 /nfs/dbraw/zinc/58/59/61/626585961.db2.gz HPBZJJWFVIMEOX-CHWSQXEVSA-N 1 1 275.392 3.360 20 30 CGEDMO CCCCCCCCCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000755531579 626628686 /nfs/dbraw/zinc/62/86/86/626628686.db2.gz YQINZLUQFGWVNQ-OAHLLOKOSA-N 1 1 268.445 3.195 20 30 CGEDMO C[C@@H]1CC(=NO[C@@H]2CCCCO2)C[N@@H+]1Cc1ccccc1 ZINC000755822715 626651025 /nfs/dbraw/zinc/65/10/25/626651025.db2.gz IGPJBRIXVJPXNT-RHSMWYFYSA-N 1 1 288.391 3.180 20 30 CGEDMO C[C@@H]1CC(=NO[C@@H]2CCCCO2)C[N@H+]1Cc1ccccc1 ZINC000755822715 626651028 /nfs/dbraw/zinc/65/10/28/626651028.db2.gz IGPJBRIXVJPXNT-RHSMWYFYSA-N 1 1 288.391 3.180 20 30 CGEDMO C[C@@H]1C[N@H+](C2CC2)CC1N=Nc1ncc(Cl)cc1Cl ZINC000755887170 626656533 /nfs/dbraw/zinc/65/65/33/626656533.db2.gz JHWVBROMASWOJJ-MRVPVSSYSA-N 1 1 299.205 3.270 20 30 CGEDMO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccc(F)cc1O ZINC000756731829 626728310 /nfs/dbraw/zinc/72/83/10/626728310.db2.gz IPHRHPPCNOCXKV-SNVBAGLBSA-N 1 1 288.297 3.393 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@@H](C)[C@H](O)c1ccccc1 ZINC000839607439 626765156 /nfs/dbraw/zinc/76/51/56/626765156.db2.gz XZAXARPVHPQYPK-JSGCOSHPSA-N 1 1 253.773 3.183 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@@H](C)[C@H](O)c1ccccc1 ZINC000839607439 626765158 /nfs/dbraw/zinc/76/51/58/626765158.db2.gz XZAXARPVHPQYPK-JSGCOSHPSA-N 1 1 253.773 3.183 20 30 CGEDMO C#CC[C@H](NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000839714559 626780985 /nfs/dbraw/zinc/78/09/85/626780985.db2.gz GBGJBURFQGFJQI-DFGXFYAUSA-N 1 1 298.430 3.129 20 30 CGEDMO C[N@H+]1CCCC(N=Nc2cccc3ncccc23)CC1 ZINC000758107590 626827405 /nfs/dbraw/zinc/82/74/05/626827405.db2.gz PJAUGADVNMJHMO-UHFFFAOYSA-N 1 1 268.364 3.118 20 30 CGEDMO Cc1ccc(F)c(N=NC2C[N@@H+](C3CC3)C[C@H]2C)c1 ZINC000759664759 626912924 /nfs/dbraw/zinc/91/29/24/626912924.db2.gz MPCAFQSJUTZCSQ-LLVKDONJSA-N 1 1 261.344 3.016 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@@H](C)[S@@](=O)CC1 ZINC000759867714 626928670 /nfs/dbraw/zinc/92/86/70/626928670.db2.gz JMEFTDDVQAOSMB-PBHICJAKSA-N 1 1 259.459 3.190 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000760808169 626992770 /nfs/dbraw/zinc/99/27/70/626992770.db2.gz QNMMBAZUBZSCBQ-CQSZACIVSA-N 1 1 263.768 3.207 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1ccc(C(C)C)cc1 ZINC000760818505 626994426 /nfs/dbraw/zinc/99/44/26/626994426.db2.gz FURCDFZPLKXSBJ-UHFFFAOYSA-N 1 1 259.393 3.282 20 30 CGEDMO Cc1c(Cl)cccc1N=NC1C[C@@H](C)[N@H+](C)C1 ZINC000761806055 627061531 /nfs/dbraw/zinc/06/15/31/627061531.db2.gz QJLJZGXYIYLBMY-SECBINFHSA-N 1 1 251.761 3.140 20 30 CGEDMO C#CC[N@H+](Cc1c(OC)ccc2ccccc21)C1CC1 ZINC000764678027 627217720 /nfs/dbraw/zinc/21/77/20/627217720.db2.gz ZJNASGMUEHTQQI-UHFFFAOYSA-N 1 1 265.356 3.446 20 30 CGEDMO C#CC[N@H+](Cc1cc(C)c2ncccc2c1)C1CC1 ZINC000764680906 627218333 /nfs/dbraw/zinc/21/83/33/627218333.db2.gz CQIGPPAZRVMALJ-UHFFFAOYSA-N 1 1 250.345 3.141 20 30 CGEDMO FC(F)(F)Oc1ccc(N=NC2CC[N@H+]3CCC[C@H]23)cc1 ZINC000765571676 627259828 /nfs/dbraw/zinc/25/98/28/627259828.db2.gz HRHANSCRUPSZGG-CYBMUJFWSA-N 1 1 299.296 3.221 20 30 CGEDMO C[C@H]1C[N@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)CC[C@@H]1C ZINC000766376308 627324132 /nfs/dbraw/zinc/32/41/32/627324132.db2.gz YQZMPCQVTCGXFX-GJZGRUSLSA-N 1 1 294.402 3.357 20 30 CGEDMO C#CCCC[N@H+](CCc1ccc(C)cc1)C[C@H]1CCCO1 ZINC000766902122 627369698 /nfs/dbraw/zinc/36/96/98/627369698.db2.gz DAAJVMBQZFECSZ-LJQANCHMSA-N 1 1 285.431 3.432 20 30 CGEDMO CC(C)(C#N)c1ccccc1CO[NH+]=C(N)CC1CC1 ZINC000767828536 627439962 /nfs/dbraw/zinc/43/99/62/627439962.db2.gz UHAIVNOQLVARFG-UHFFFAOYSA-N 1 1 271.364 3.286 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)OC[C@@H]1CCC[N@H+]1Cc1ccco1 ZINC000768003067 627448933 /nfs/dbraw/zinc/44/89/33/627448933.db2.gz NARYZVUDKUYPLK-GJZGRUSLSA-N 1 1 291.391 3.390 20 30 CGEDMO COCc1ccc(C[N@@H+](CCC#N)CC(C)C)cc1 ZINC000768155217 627464215 /nfs/dbraw/zinc/46/42/15/627464215.db2.gz VUJWWGHXMHPLKX-UHFFFAOYSA-N 1 1 260.381 3.205 20 30 CGEDMO COc1cc(C[N@@H+](CCC#N)CC(C)C)c(O)cc1C ZINC000768443533 627480436 /nfs/dbraw/zinc/48/04/36/627480436.db2.gz SLUBOHLUKLKZOS-UHFFFAOYSA-N 1 1 276.380 3.081 20 30 CGEDMO CC[C@@H]1CCC[N@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000769011537 627516618 /nfs/dbraw/zinc/51/66/18/627516618.db2.gz XSFPUWDGAZFGFT-UKRRQHHQSA-N 1 1 258.365 3.352 20 30 CGEDMO C#CC[N@H+](Cc1c[nH]nc1C(C)(C)C)C1CCCCC1 ZINC000769146448 627526148 /nfs/dbraw/zinc/52/61/48/627526148.db2.gz ZJBFZSZWSYOJBK-UHFFFAOYSA-N 1 1 273.424 3.475 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CCc2ccsc2C1 ZINC000769436683 627552162 /nfs/dbraw/zinc/55/21/62/627552162.db2.gz WLNQVGJLMGSUPB-UHFFFAOYSA-N 1 1 283.396 3.318 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000769484639 627559426 /nfs/dbraw/zinc/55/94/26/627559426.db2.gz LDWHDVGOVCIIBH-LJQANCHMSA-N 1 1 299.414 3.091 20 30 CGEDMO C#CC[N@H+](Cc1cc(C)c(C)cc1O)C1CCCC1 ZINC000769530383 627562886 /nfs/dbraw/zinc/56/28/86/627562886.db2.gz MTBXFNCUPZUIAP-UHFFFAOYSA-N 1 1 257.377 3.387 20 30 CGEDMO CN1c2ccccc2C(C)(C)/C1=C\C=[NH+]NCC(F)(F)F ZINC000769809067 627579988 /nfs/dbraw/zinc/57/99/88/627579988.db2.gz XDVLDEGAJGYQDC-WQCDKATFSA-N 1 1 297.324 3.436 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCC1=NNCC(F)(F)F ZINC000769821400 627581149 /nfs/dbraw/zinc/58/11/49/627581149.db2.gz FUJRFSWTDGWVHA-LBPRGKRZSA-N 1 1 299.340 3.036 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1c(Cl)ccc2cccnc21 ZINC000769962745 627593143 /nfs/dbraw/zinc/59/31/43/627593143.db2.gz JSYOVYJNEBPKNT-NSHDSACASA-N 1 1 258.752 3.342 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1c(Cl)ccc2cccnc21 ZINC000769962745 627593146 /nfs/dbraw/zinc/59/31/46/627593146.db2.gz JSYOVYJNEBPKNT-NSHDSACASA-N 1 1 258.752 3.342 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccccc1OCC(F)(F)F ZINC000769977628 627594436 /nfs/dbraw/zinc/59/44/36/627594436.db2.gz MWPDIROFWGYCJD-LLVKDONJSA-N 1 1 271.282 3.081 20 30 CGEDMO C=CC[N@H+](Cc1c(O)ccc2ccncc21)C1CC1 ZINC000771639571 627724593 /nfs/dbraw/zinc/72/45/93/627724593.db2.gz HYELVHWMWNWMOT-UHFFFAOYSA-N 1 1 254.333 3.091 20 30 CGEDMO C#CCOc1ccc(C[N@H+](C)Cc2cccc(O)c2)cc1 ZINC000771935689 627746423 /nfs/dbraw/zinc/74/64/23/627746423.db2.gz SGINJNJZXCXIPA-UHFFFAOYSA-N 1 1 281.355 3.036 20 30 CGEDMO C=CC[N@H+](Cc1nc2sc(C)c(C)c2c(N)n1)C(C)C ZINC000772175420 627771404 /nfs/dbraw/zinc/77/14/04/627771404.db2.gz NDSZBUUQPXVSJG-UHFFFAOYSA-N 1 1 290.436 3.287 20 30 CGEDMO C=CC[N@@H+](Cc1nc2sc(C)c(C)c2c(N)n1)C(C)C ZINC000772175420 627771406 /nfs/dbraw/zinc/77/14/06/627771406.db2.gz NDSZBUUQPXVSJG-UHFFFAOYSA-N 1 1 290.436 3.287 20 30 CGEDMO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@@H](C)c1cccc(C#N)c1 ZINC000774042810 627939783 /nfs/dbraw/zinc/93/97/83/627939783.db2.gz BPYHSUMFIPKSMB-BBRMVZONSA-N 1 1 286.375 3.037 20 30 CGEDMO CC[N@H+]1CCCC[C@H]1C(=O)O[C@@H](C)c1cccc(C#N)c1 ZINC000774042810 627939785 /nfs/dbraw/zinc/93/97/85/627939785.db2.gz BPYHSUMFIPKSMB-BBRMVZONSA-N 1 1 286.375 3.037 20 30 CGEDMO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@H](C)c1cccc(C#N)c1 ZINC000774042812 627940142 /nfs/dbraw/zinc/94/01/42/627940142.db2.gz BPYHSUMFIPKSMB-CZUORRHYSA-N 1 1 286.375 3.037 20 30 CGEDMO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@H](C)c1cccc(C#N)c1 ZINC000774042812 627940145 /nfs/dbraw/zinc/94/01/45/627940145.db2.gz BPYHSUMFIPKSMB-CZUORRHYSA-N 1 1 286.375 3.037 20 30 CGEDMO CCOCCON=C1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000774417807 627987367 /nfs/dbraw/zinc/98/73/67/627987367.db2.gz RAOXZSVDZJFAGW-UHFFFAOYSA-N 1 1 290.407 3.080 20 30 CGEDMO C=CC[N@H+](CCCS(=O)(=O)c1ccc(C)cc1)C(C)C ZINC000774560507 628004704 /nfs/dbraw/zinc/00/47/04/628004704.db2.gz ZGNKEYOZJIQGBX-UHFFFAOYSA-N 1 1 295.448 3.055 20 30 CGEDMO C=CC[N@@H+](C[C@@H](O)c1ccc(Cl)cc1)C(C)C ZINC000774560496 628005104 /nfs/dbraw/zinc/00/51/04/628005104.db2.gz ZDWJNIAMKOEAOC-CQSZACIVSA-N 1 1 253.773 3.270 20 30 CGEDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000774618483 628009174 /nfs/dbraw/zinc/00/91/74/628009174.db2.gz LLIVYQVCRYQEIK-RDTXWAMCSA-N 1 1 294.402 3.500 20 30 CGEDMO C[N@@H+](Cc1ccccc1O)Cc1cccc(C#N)c1F ZINC000774680555 628014727 /nfs/dbraw/zinc/01/47/27/628014727.db2.gz VZOYRWAYIIWANI-UHFFFAOYSA-N 1 1 270.307 3.035 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1cc(C(F)(F)F)ccc1F ZINC000775179126 628069657 /nfs/dbraw/zinc/06/96/57/628069657.db2.gz KPUMXYIFDPOXII-VIFPVBQESA-N 1 1 259.246 3.298 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1cc(C(F)(F)F)ccc1F ZINC000775179126 628069662 /nfs/dbraw/zinc/06/96/62/628069662.db2.gz KPUMXYIFDPOXII-VIFPVBQESA-N 1 1 259.246 3.298 20 30 CGEDMO C[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])c1cccc(C#N)c1 ZINC000775335468 628083878 /nfs/dbraw/zinc/08/38/78/628083878.db2.gz KOZKQOSEODDXKN-NSHDSACASA-N 1 1 299.305 3.456 20 30 CGEDMO C#C[C@H]([NH2+][C@@H](CC)c1cc(F)ccc1F)[C@H]1CCCO1 ZINC000775574115 628109773 /nfs/dbraw/zinc/10/97/73/628109773.db2.gz NRLKAGRLJOZDTH-HRCADAONSA-N 1 1 279.330 3.186 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](C(=O)NCCCCCC)C1 ZINC000775587905 628111872 /nfs/dbraw/zinc/11/18/72/628111872.db2.gz FJOCRRDPTJZTSZ-INIZCTEOSA-N 1 1 280.456 3.361 20 30 CGEDMO C[C@@H](CN[C@@H](C)c1ccc(C#N)c(F)c1)[NH+]1CCCCC1 ZINC000776729441 628228072 /nfs/dbraw/zinc/22/80/72/628228072.db2.gz LWEACJBURITMCL-KBPBESRZSA-N 1 1 289.398 3.222 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000778982005 628380943 /nfs/dbraw/zinc/38/09/43/628380943.db2.gz IPBHMGYTXHKINQ-ZNMIVQPWSA-N 1 1 294.439 3.023 20 30 CGEDMO CC(=NNc1cc[nH+]cc1)c1sccc1Br ZINC000779810673 628434179 /nfs/dbraw/zinc/43/41/79/628434179.db2.gz GQMZGHHUHAESMH-UHFFFAOYSA-N 1 1 296.193 3.164 20 30 CGEDMO CC(=NNCC(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779782073 628429801 /nfs/dbraw/zinc/42/98/01/628429801.db2.gz CZMPXKARZXQORV-KRWDZBQOSA-N 1 1 273.424 3.130 20 30 CGEDMO Fc1ccc(C=NNc2cc[nH+]cc2)cc1C(F)(F)F ZINC000779809350 628433522 /nfs/dbraw/zinc/43/35/22/628433522.db2.gz JESOPOBGDIVJFA-UHFFFAOYSA-N 1 1 283.228 3.107 20 30 CGEDMO CC(C)Oc1ccccc1C[NH2+]Cc1ccc(C#N)cn1 ZINC000780556380 628499712 /nfs/dbraw/zinc/49/97/12/628499712.db2.gz XUTAXLONJWXZTL-UHFFFAOYSA-N 1 1 281.359 3.030 20 30 CGEDMO C#CC[N@H+](CCC(C)(C)CC(=O)OCC)C1CCCC1 ZINC000805743509 628697175 /nfs/dbraw/zinc/69/71/75/628697175.db2.gz VTKVGBMVHIHXHG-UHFFFAOYSA-N 1 1 279.424 3.234 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@H]2CCCOc3cc(F)ccc32)nc1 ZINC000783299801 628700622 /nfs/dbraw/zinc/70/06/22/628700622.db2.gz FQDKWZBAGWRTOJ-INIZCTEOSA-N 1 1 297.333 3.096 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000784012228 628765883 /nfs/dbraw/zinc/76/58/83/628765883.db2.gz BINMUWOJTUALGA-KRWDZBQOSA-N 1 1 281.359 3.066 20 30 CGEDMO C=CCn1c(C)nn(C[N@@H+]2CC[C@@H](C(C)(C)C)C2)c1=S ZINC000784029517 628768530 /nfs/dbraw/zinc/76/85/30/628768530.db2.gz DCRLWJDTQUPNJB-CYBMUJFWSA-N 1 1 294.468 3.234 20 30 CGEDMO C=CCn1c(C)nn(C[N@H+]2CC[C@@H](C(C)(C)C)C2)c1=S ZINC000784029517 628768534 /nfs/dbraw/zinc/76/85/34/628768534.db2.gz DCRLWJDTQUPNJB-CYBMUJFWSA-N 1 1 294.468 3.234 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)C[C@H](C)NC(=O)OC(C)(C)C ZINC000785463263 628863732 /nfs/dbraw/zinc/86/37/32/628863732.db2.gz OJBHJRQGYYVUJF-AWEZNQCLSA-N 1 1 297.443 3.161 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)C[C@H](C)NC(=O)OC(C)(C)C ZINC000785463263 628863734 /nfs/dbraw/zinc/86/37/34/628863734.db2.gz OJBHJRQGYYVUJF-AWEZNQCLSA-N 1 1 297.443 3.161 20 30 CGEDMO C#CC[N@H+](Cc1ccc(F)nc1C)C1CCCCC1 ZINC000787132103 628993706 /nfs/dbraw/zinc/99/37/06/628993706.db2.gz HTYHDALAHLEDOD-UHFFFAOYSA-N 1 1 260.356 3.297 20 30 CGEDMO Cc1cccnc1N=NC1CC[N@@H+](Cc2ccccc2)C1 ZINC000790193098 629192940 /nfs/dbraw/zinc/19/29/40/629192940.db2.gz SNTVFAXUKADMCC-UHFFFAOYSA-N 1 1 280.375 3.064 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cc(F)c(N(C)C)cc1F ZINC000862302180 629343115 /nfs/dbraw/zinc/34/31/15/629343115.db2.gz YAKTXHUWDQPVHK-UHFFFAOYSA-N 1 1 254.324 3.039 20 30 CGEDMO C#C[C@H]([NH2+]Cc1ccsc1C(F)(F)F)[C@H]1CCCO1 ZINC000862332901 629344770 /nfs/dbraw/zinc/34/47/70/629344770.db2.gz ZDJWRSUSJMLJSE-WDEREUQCSA-N 1 1 289.322 3.037 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)C[C@@H](C)c2ccc(C)cc2)n1 ZINC000862351444 629347261 /nfs/dbraw/zinc/34/72/61/629347261.db2.gz LAOAKBOSKRMCLA-QGZVFWFLSA-N 1 1 295.430 3.450 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000792296887 629355175 /nfs/dbraw/zinc/35/51/75/629355175.db2.gz KWDSOQSWNXVEKR-OAHLLOKOSA-N 1 1 264.417 3.276 20 30 CGEDMO CCCCCCCC[N@@H+]1CCn2cnnc2[C@H]1C ZINC000792380456 629357976 /nfs/dbraw/zinc/35/79/76/629357976.db2.gz VBARGPOEEGQXIC-CYBMUJFWSA-N 1 1 250.390 3.015 20 30 CGEDMO CCCCCCCC[N@H+]1CCn2cnnc2[C@H]1C ZINC000792380456 629357980 /nfs/dbraw/zinc/35/79/80/629357980.db2.gz VBARGPOEEGQXIC-CYBMUJFWSA-N 1 1 250.390 3.015 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2ccc3[nH]ccc3c2)C1 ZINC000862399776 629363266 /nfs/dbraw/zinc/36/32/66/629363266.db2.gz BZJNIDPEBIVRGT-AWEZNQCLSA-N 1 1 252.361 3.403 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000862443262 629375444 /nfs/dbraw/zinc/37/54/44/629375444.db2.gz NDLRALMTPUCZHJ-CYBMUJFWSA-N 1 1 283.350 3.061 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(Br)cc2)C1 ZINC000862443131 629375955 /nfs/dbraw/zinc/37/59/55/629375955.db2.gz LBDCXCGVLFCXFS-LBPRGKRZSA-N 1 1 278.193 3.294 20 30 CGEDMO C#CC[N@H+](CCC(C)(C)C(=O)OC)[C@@H]1CCc2ccccc21 ZINC000792761207 629379501 /nfs/dbraw/zinc/37/95/01/629379501.db2.gz JZHARAKMINMIBM-QGZVFWFLSA-N 1 1 299.414 3.198 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(SC)s2)C1 ZINC000862447367 629379771 /nfs/dbraw/zinc/37/97/71/629379771.db2.gz MHRWDMMRTZMTIH-LLVKDONJSA-N 1 1 251.420 3.315 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cccc(Cl)c2F)C1 ZINC000862445402 629379953 /nfs/dbraw/zinc/37/99/53/629379953.db2.gz SJWHQPVANXGAIT-LLVKDONJSA-N 1 1 251.732 3.324 20 30 CGEDMO Cc1cc([C@H](C)[NH2+][C@H](CCC#N)c2ccccc2)n(C)n1 ZINC000793547539 629481807 /nfs/dbraw/zinc/48/18/07/629481807.db2.gz JFGHZIBLKLQRMS-GOEBONIOSA-N 1 1 282.391 3.424 20 30 CGEDMO C[N@H+]1CCCC(N=Nc2ccc(F)c(Cl)c2)CC1 ZINC000863179401 629489928 /nfs/dbraw/zinc/48/99/28/629489928.db2.gz VZWSIGHCNIJKNF-UHFFFAOYSA-N 1 1 269.751 3.363 20 30 CGEDMO CCCCCCCCC(=O)NCC[N@@H+]1CC=CCC1 ZINC000794117357 629516173 /nfs/dbraw/zinc/51/61/73/629516173.db2.gz CDGBUSXFVPBXER-UHFFFAOYSA-N 1 1 266.429 3.115 20 30 CGEDMO CSCCON=C1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000794572760 629557394 /nfs/dbraw/zinc/55/73/94/629557394.db2.gz HMBNKRNGNUWOJL-CQSZACIVSA-N 1 1 292.448 3.407 20 30 CGEDMO N#CC1(C[NH2+][C@H](c2ccccc2)[C@@H](O)c2ccccc2)CC1 ZINC000794689019 629567907 /nfs/dbraw/zinc/56/79/07/629567907.db2.gz NHZNQEXCZKGLPZ-MSOLQXFVSA-N 1 1 292.382 3.355 20 30 CGEDMO C[C@H]([NH2+]Cc1cccc(C#N)c1F)c1cncs1 ZINC000794827894 629582922 /nfs/dbraw/zinc/58/29/22/629582922.db2.gz LOXPDOPCQDBPQQ-VIFPVBQESA-N 1 1 261.325 3.005 20 30 CGEDMO Cc1cc(CO[NH+]=C(N)CCC(F)(F)F)ccc1C#N ZINC000863490604 629590200 /nfs/dbraw/zinc/59/02/00/629590200.db2.gz OECMXHJNFNCNFH-UHFFFAOYSA-N 1 1 285.269 3.208 20 30 CGEDMO C#CCC[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)O[C@@H](C)C1 ZINC000795075809 629630020 /nfs/dbraw/zinc/63/00/20/629630020.db2.gz PVENDLFPVVTPOI-WFASDCNBSA-N 1 1 297.320 3.491 20 30 CGEDMO C#CCC[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)O[C@@H](C)C1 ZINC000795075809 629630023 /nfs/dbraw/zinc/63/00/23/629630023.db2.gz PVENDLFPVVTPOI-WFASDCNBSA-N 1 1 297.320 3.491 20 30 CGEDMO C#CCC[N@H+]1C[C@@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000795075789 629630424 /nfs/dbraw/zinc/63/04/24/629630424.db2.gz PVENDLFPVVTPOI-IUODEOHRSA-N 1 1 297.320 3.491 20 30 CGEDMO C#CCC[N@@H+]1C[C@@H](C)O[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000795075789 629630427 /nfs/dbraw/zinc/63/04/27/629630427.db2.gz PVENDLFPVVTPOI-IUODEOHRSA-N 1 1 297.320 3.491 20 30 CGEDMO CCCCCCCC[N@@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000795309450 629657919 /nfs/dbraw/zinc/65/79/19/629657919.db2.gz JPFDIRICFALPGO-MRXNPFEDSA-N 1 1 252.446 3.375 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000795309450 629657923 /nfs/dbraw/zinc/65/79/23/629657923.db2.gz JPFDIRICFALPGO-MRXNPFEDSA-N 1 1 252.446 3.375 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CCC(C)=C(C)C1 ZINC000796017256 629735682 /nfs/dbraw/zinc/73/56/82/629735682.db2.gz HLQDUAGUSRUYJR-UHFFFAOYSA-N 1 1 255.361 3.241 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[Si](C)(C)C ZINC000796384730 629774532 /nfs/dbraw/zinc/77/45/32/629774532.db2.gz XXWKCBPLVUBPDK-UHFFFAOYSA-N 1 1 267.445 3.027 20 30 CGEDMO N#Cc1cc(F)ccc1C[NH+]1CCC2(CCC2)CC1 ZINC000796515106 629792842 /nfs/dbraw/zinc/79/28/42/629792842.db2.gz OFASIEYIAXXDTJ-UHFFFAOYSA-N 1 1 258.340 3.463 20 30 CGEDMO C#CCN(Cc1ccccc1)Cc1[nH+]cc(C)c(OC)c1C ZINC000796630959 629807394 /nfs/dbraw/zinc/80/73/94/629807394.db2.gz AXJCNZRXTLIYTC-UHFFFAOYSA-N 1 1 294.398 3.342 20 30 CGEDMO Oc1ccccc1/C=N\C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000864344809 629814386 /nfs/dbraw/zinc/81/43/86/629814386.db2.gz HKZGINMKQKUDFL-JIHKLPAASA-N 1 1 272.392 3.218 20 30 CGEDMO CC(C)c1c(Cl)ncnc1N=NC1CC[N@@H+](C)[C@H](C)C1 ZINC000797403893 629942487 /nfs/dbraw/zinc/94/24/87/629942487.db2.gz BGBZHPAKUVPBRA-SNVBAGLBSA-N 1 1 295.818 3.135 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CC(C)=C[C@@H](C)C1 ZINC000797605363 629970378 /nfs/dbraw/zinc/97/03/78/629970378.db2.gz PXIFTFIJAVTEEH-CQSZACIVSA-N 1 1 255.361 3.097 20 30 CGEDMO C=CCc1cc(C[N@H+]2CCC=C(C)C2)c(O)c(OC)c1 ZINC000797821928 629987727 /nfs/dbraw/zinc/98/77/27/629987727.db2.gz GKKBQOBKCNEZLH-UHFFFAOYSA-N 1 1 273.376 3.281 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(N(C)c2ccccc2)nc1 ZINC000798080307 630019879 /nfs/dbraw/zinc/01/98/79/630019879.db2.gz XAMNRFOGTHKJCD-OAHLLOKOSA-N 1 1 279.387 3.303 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CC[C@H](c2ccccn2)C1 ZINC000798963218 630129513 /nfs/dbraw/zinc/12/95/13/630129513.db2.gz AJUYXNQYWXVMJJ-INIZCTEOSA-N 1 1 292.382 3.083 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000801573788 630345107 /nfs/dbraw/zinc/34/51/07/630345107.db2.gz HWYHJHSOWKNWNR-YOEHRIQHSA-N 1 1 294.439 3.025 20 30 CGEDMO CCCCCCC[N@H+]1[C@@H]2C[C@H](C(=O)OC)O[C@H]2CC[C@H]1C ZINC000801601127 630347382 /nfs/dbraw/zinc/34/73/82/630347382.db2.gz YLUZMZCYSILGOH-LVQVYYBASA-N 1 1 297.439 3.140 20 30 CGEDMO C[C@H](C#N)OCC[N@H+](Cc1ccccc1)CC1CCC1 ZINC000801916567 630365710 /nfs/dbraw/zinc/36/57/10/630365710.db2.gz YFBAEOOPIHKPJE-OAHLLOKOSA-N 1 1 272.392 3.217 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CC[C@](C)(CCc2ccccc2)C1 ZINC000801926638 630368477 /nfs/dbraw/zinc/36/84/77/630368477.db2.gz UGIFJAMDEPZTJT-AEFFLSMTSA-N 1 1 286.419 3.260 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](Cc1ccccc1)C(C)(C)C ZINC000801927499 630368517 /nfs/dbraw/zinc/36/85/17/630368517.db2.gz SSUDAOUILKDYJC-CQSZACIVSA-N 1 1 260.381 3.216 20 30 CGEDMO CC[C@H](Cc1ccccc1)[N@@H+](CC)CCO[C@@H](C)C#N ZINC000801927706 630368691 /nfs/dbraw/zinc/36/86/91/630368691.db2.gz ZAQTWOILFUSZIX-DOTOQJQBSA-N 1 1 274.408 3.258 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000801930258 630369327 /nfs/dbraw/zinc/36/93/27/630369327.db2.gz KPPJUEKSKRHFFI-RDTXWAMCSA-N 1 1 284.403 3.457 20 30 CGEDMO C[C@H](c1ccccc1)[N@H+](CCO[C@@H](C)C#N)C1CC1 ZINC000801931076 630369489 /nfs/dbraw/zinc/36/94/89/630369489.db2.gz OOYPXZJBJVUYJF-UONOGXRCSA-N 1 1 258.365 3.141 20 30 CGEDMO COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2CCO[C@@H](C)C#N)c1 ZINC000801938814 630371454 /nfs/dbraw/zinc/37/14/54/630371454.db2.gz MCMQEHNNVKXDTJ-KEYYUXOJSA-N 1 1 288.391 3.007 20 30 CGEDMO C=C(C)CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000803351560 630466826 /nfs/dbraw/zinc/46/68/26/630466826.db2.gz FFYLRTRACOLFSI-QGZVFWFLSA-N 1 1 287.403 3.408 20 30 CGEDMO C=CC(C)(C)CCCNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000876321431 634816898 /nfs/dbraw/zinc/81/68/98/634816898.db2.gz OPMYGZSSDFIZJG-GJZGRUSLSA-N 1 1 295.471 3.103 20 30 CGEDMO C=CC[N@@H+](CCC(=O)C(C)C)Cc1ccccc1F ZINC000808711590 630668782 /nfs/dbraw/zinc/66/87/82/630668782.db2.gz LWZMYNFTTIIHTO-UHFFFAOYSA-N 1 1 263.356 3.429 20 30 CGEDMO C=CC[N@H+](CCC(=O)C(C)C)Cc1ccccc1F ZINC000808711590 630668787 /nfs/dbraw/zinc/66/87/87/630668787.db2.gz LWZMYNFTTIIHTO-UHFFFAOYSA-N 1 1 263.356 3.429 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)CCc2ccccc2OC)cc1 ZINC000809568385 630751679 /nfs/dbraw/zinc/75/16/79/630751679.db2.gz MYCFVUIUIRFHDO-UHFFFAOYSA-N 1 1 279.383 3.351 20 30 CGEDMO N#CC[C@@H](O)C[N@@H+](Cc1ccccc1)C1CCCCC1 ZINC000809571975 630752184 /nfs/dbraw/zinc/75/21/84/630752184.db2.gz FRJVHIOWRLMXBW-QGZVFWFLSA-N 1 1 272.392 3.096 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cc1 ZINC000809594900 630756863 /nfs/dbraw/zinc/75/68/63/630756863.db2.gz CMGBSQRARJHJGZ-AZUAARDMSA-N 1 1 294.442 3.117 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cc1 ZINC000809594900 630756864 /nfs/dbraw/zinc/75/68/64/630756864.db2.gz CMGBSQRARJHJGZ-AZUAARDMSA-N 1 1 294.442 3.117 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000878303622 635451401 /nfs/dbraw/zinc/45/14/01/635451401.db2.gz APXLHNPLJBFIED-XHSDSOJGSA-N 1 1 292.467 3.453 20 30 CGEDMO C#C[C@@H](CC)[NH2+]Cc1c(Cl)cccc1OC(F)F ZINC000809686184 630782135 /nfs/dbraw/zinc/78/21/35/630782135.db2.gz YKBLSUDPXLDBPY-VIFPVBQESA-N 1 1 273.710 3.443 20 30 CGEDMO C#CCOc1ccc(C[N@@H+](C)Cc2ccc(O)cc2)cc1 ZINC000809753906 630801110 /nfs/dbraw/zinc/80/11/10/630801110.db2.gz VSTZYUJUTCMGSO-UHFFFAOYSA-N 1 1 281.355 3.036 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)CCn1ccc2cc(Cl)ccc21 ZINC000809989621 630825147 /nfs/dbraw/zinc/82/51/47/630825147.db2.gz CPIQERJGLCWEBM-LBPRGKRZSA-N 1 1 260.768 3.248 20 30 CGEDMO C=CCC[C@H](OC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC000810638870 630914581 /nfs/dbraw/zinc/91/45/81/630914581.db2.gz PGEYACNDAFLPCM-YOEHRIQHSA-N 1 1 297.414 3.487 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCC[C@H]1c1nc(C(=O)OCC)cs1 ZINC000878504210 635534395 /nfs/dbraw/zinc/53/43/95/635534395.db2.gz DVQZLGCAFWLAQL-YPMHNXCESA-N 1 1 294.420 3.421 20 30 CGEDMO C=CC[C@@H](C)[N@@H+]1CCC[C@H]1c1nc(C(=O)OCC)cs1 ZINC000878504210 635534401 /nfs/dbraw/zinc/53/44/01/635534401.db2.gz DVQZLGCAFWLAQL-YPMHNXCESA-N 1 1 294.420 3.421 20 30 CGEDMO C#CC[NH+](CC#C)C/C(C)=C/c1ccccc1OC(F)F ZINC000811463938 631069346 /nfs/dbraw/zinc/06/93/46/631069346.db2.gz LLWNXQOMMOPQGE-WYMLVPIESA-N 1 1 289.325 3.260 20 30 CGEDMO C#C[C@H](C)[NH2+]Cc1c(Cl)cc(Cl)cc1N(C)C ZINC000811505176 631077434 /nfs/dbraw/zinc/07/74/34/631077434.db2.gz HINNBEMKBRUARN-VIFPVBQESA-N 1 1 271.191 3.171 20 30 CGEDMO C[C@@H]1C(N=Nc2ccccn2)CC[N@H+]1Cc1ccccc1 ZINC000811632056 631094577 /nfs/dbraw/zinc/09/45/77/631094577.db2.gz XMQDDQZOQTXBMK-CQSZACIVSA-N 1 1 280.375 3.144 20 30 CGEDMO Fc1ccc(C(C[C@@H]2CCCO2)=NNc2cc[nH+]cc2)cc1 ZINC000811647680 631096789 /nfs/dbraw/zinc/09/67/89/631096789.db2.gz WNDZFYYVYNFYRW-INIZCTEOSA-N 1 1 299.349 3.028 20 30 CGEDMO C=CCC[N@H+](C)CN1C[C@H](c2cccc(Cl)c2)CC1=O ZINC000812287862 631235588 /nfs/dbraw/zinc/23/55/88/631235588.db2.gz NRTWDXKPVUSLGC-CQSZACIVSA-N 1 1 292.810 3.121 20 30 CGEDMO CCC(CC)N[NH+]=C(C)c1cc(F)c(N)c(F)c1 ZINC000814850942 631655037 /nfs/dbraw/zinc/65/50/37/631655037.db2.gz BBWDTZZGFOASCN-UHFFFAOYSA-N 1 1 255.312 3.049 20 30 CGEDMO CCC(=[NH+]OCCCOC)c1ccc(Cl)c(N)c1 ZINC000814931275 631687106 /nfs/dbraw/zinc/68/71/06/631687106.db2.gz ALKDKNDQDHFGPN-UHFFFAOYSA-N 1 1 270.760 3.089 20 30 CGEDMO Cc1cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)ccc1N(C)C ZINC000815089224 631715140 /nfs/dbraw/zinc/71/51/40/631715140.db2.gz BYFHBFZNDAGMTE-KRWDZBQOSA-N 1 1 271.408 3.187 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@@](C)(C#N)C2)ccc1N(C)C ZINC000815089224 631715144 /nfs/dbraw/zinc/71/51/44/631715144.db2.gz BYFHBFZNDAGMTE-KRWDZBQOSA-N 1 1 271.408 3.187 20 30 CGEDMO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816598478 632021721 /nfs/dbraw/zinc/02/17/21/632021721.db2.gz DSHQIATYKKBCIU-MEBBXXQBSA-N 1 1 299.773 3.256 20 30 CGEDMO C#CC[N@@H+](C)CCCNC(=O)CC(C)(C)C1CCCCC1 ZINC000818589206 632338707 /nfs/dbraw/zinc/33/87/07/632338707.db2.gz UXKQFOUMUUTQLW-UHFFFAOYSA-N 1 1 292.467 3.054 20 30 CGEDMO CCN(CC)c1ccc(C[NH2+]C[C@H](C#N)CCC#N)cc1 ZINC000818965275 632358213 /nfs/dbraw/zinc/35/82/13/632358213.db2.gz RNBWPZXNXGTFST-INIZCTEOSA-N 1 1 284.407 3.066 20 30 CGEDMO N#CC1(C[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)CCC1 ZINC000819376763 632444863 /nfs/dbraw/zinc/44/48/63/632444863.db2.gz FSKLCTQBFVJZEJ-ZDUSSCGKSA-N 1 1 299.201 3.310 20 30 CGEDMO N#Cc1csc(C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)n1 ZINC000865829640 632903917 /nfs/dbraw/zinc/90/39/17/632903917.db2.gz DGNMPJCXBYBCMX-NXEZZACHSA-N 1 1 287.310 3.001 20 30 CGEDMO CC(C)CC(N)=[NH+]OCc1nc(C(C)(C)C)cs1 ZINC000120845532 632973282 /nfs/dbraw/zinc/97/32/82/632973282.db2.gz LHIQWTPRHYZOIA-UHFFFAOYSA-N 1 1 269.414 3.276 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)CC[C@@H]1CC1(Cl)Cl ZINC000822634775 632992869 /nfs/dbraw/zinc/99/28/69/632992869.db2.gz KZFYOTSHLHGYMN-LLVKDONJSA-N 1 1 263.212 3.442 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)CC[C@H]1CC1(Cl)Cl ZINC000822634777 632993070 /nfs/dbraw/zinc/99/30/70/632993070.db2.gz KZFYOTSHLHGYMN-NSHDSACASA-N 1 1 263.212 3.442 20 30 CGEDMO C=CC[N@@H+](Cc1nn(CC)nc1C)CC1CCCCC1 ZINC000823448503 633107455 /nfs/dbraw/zinc/10/74/55/633107455.db2.gz XAVVZUQSAVFIEW-UHFFFAOYSA-N 1 1 276.428 3.175 20 30 CGEDMO C=CC[N@H+](Cc1nn(CC)nc1C)CC1CCCCC1 ZINC000823448503 633107457 /nfs/dbraw/zinc/10/74/57/633107457.db2.gz XAVVZUQSAVFIEW-UHFFFAOYSA-N 1 1 276.428 3.175 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccnc(N(C)C)c1 ZINC000823617502 633127965 /nfs/dbraw/zinc/12/79/65/633127965.db2.gz JVERYUNPQOJNJS-AWEZNQCLSA-N 1 1 294.402 3.212 20 30 CGEDMO C=C(C)CO[NH+]=Cc1c(Cl)cccc1N1CCOCC1 ZINC000844617878 635942694 /nfs/dbraw/zinc/94/26/94/635942694.db2.gz VFQDFSFTQHAYOU-UHFFFAOYSA-N 1 1 294.782 3.103 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C(C)C ZINC000876599785 634865162 /nfs/dbraw/zinc/86/51/62/634865162.db2.gz KTOBCHKQCIXVFB-UHFFFAOYSA-N 1 1 288.435 3.044 20 30 CGEDMO C=CCC1(C(=O)N2CC[NH2+][C@@H](c3ccccc3C)C2)CCC1 ZINC000825170370 633333932 /nfs/dbraw/zinc/33/39/32/633333932.db2.gz YGKTTXVRJRRZAF-QGZVFWFLSA-N 1 1 298.430 3.214 20 30 CGEDMO CCC[N@@H+]1Cc2cccc(NC(=O)C#CC(C)C)c2C1 ZINC000825652772 633370404 /nfs/dbraw/zinc/37/04/04/633370404.db2.gz WVLZSZOBXLTJGM-UHFFFAOYSA-N 1 1 270.376 3.010 20 30 CGEDMO CCC[N@H+]1Cc2cccc(NC(=O)C#CC(C)C)c2C1 ZINC000825652772 633370407 /nfs/dbraw/zinc/37/04/07/633370407.db2.gz WVLZSZOBXLTJGM-UHFFFAOYSA-N 1 1 270.376 3.010 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000826861061 633437877 /nfs/dbraw/zinc/43/78/77/633437877.db2.gz AGJXFZMWDYOFGV-GJZGRUSLSA-N 1 1 283.375 3.103 20 30 CGEDMO C#CC[N@H+](CCc1cccc(C)n1)C1CCCCC1 ZINC000827814498 633521211 /nfs/dbraw/zinc/52/12/11/633521211.db2.gz GKGHGBZYDVDLSV-UHFFFAOYSA-N 1 1 256.393 3.200 20 30 CGEDMO C#CC[N@H+](CCC[C@H]1CCOC1)Cc1ccc(F)cc1 ZINC000827815144 633521709 /nfs/dbraw/zinc/52/17/09/633521709.db2.gz ONPKWOLGGXEWBK-INIZCTEOSA-N 1 1 275.367 3.078 20 30 CGEDMO C#CCOc1ccc([C@H](C)[NH2+]Cc2ncc(C)s2)cc1 ZINC000122909231 633528564 /nfs/dbraw/zinc/52/85/64/633528564.db2.gz ZNPGSSFQMCDCNY-ZDUSSCGKSA-N 1 1 286.400 3.314 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CN(C2CCCCC2)C(=O)O1 ZINC000827930738 633535871 /nfs/dbraw/zinc/53/58/71/633535871.db2.gz QGXXRLUJLDFESR-OAHLLOKOSA-N 1 1 280.412 3.038 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)C[C@H]2CC2(C)C)cc1 ZINC000827942110 633538190 /nfs/dbraw/zinc/53/81/90/633538190.db2.gz MRTGFMPYPKZDIM-DZGCQCFKSA-N 1 1 272.392 3.455 20 30 CGEDMO CC(C)([NH2+]Cc1ccncc1C#N)c1ccc(F)cc1 ZINC000828062736 633556014 /nfs/dbraw/zinc/55/60/14/633556014.db2.gz QTJAIPMGPYDQMS-UHFFFAOYSA-N 1 1 269.323 3.117 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1C[C@H]1CN(C2CCCCC2)C(=O)O1 ZINC000828440346 633614398 /nfs/dbraw/zinc/61/43/98/633614398.db2.gz PGMDBOPHUWADLQ-HOCLYGCPSA-N 1 1 292.423 3.180 20 30 CGEDMO C=CC1(CC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)CCCCC1 ZINC000828962051 633673435 /nfs/dbraw/zinc/67/34/35/633673435.db2.gz YVJHDTUDOFZOQV-JKSUJKDBSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCCCC[N@H+](C)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000829158589 633705588 /nfs/dbraw/zinc/70/55/88/633705588.db2.gz BPFVWQWCPIPLLP-QGZVFWFLSA-N 1 1 286.419 3.076 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000829810996 633794400 /nfs/dbraw/zinc/79/44/00/633794400.db2.gz XSVUMCXYYLXZPE-MRXNPFEDSA-N 1 1 279.387 3.108 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000829998043 633815636 /nfs/dbraw/zinc/81/56/36/633815636.db2.gz GXORSYLDWGLVPL-HNNXBMFYSA-N 1 1 252.402 3.087 20 30 CGEDMO C#CC1CC[NH+](Cc2cc(C(C)=O)ccc2OCC)CC1 ZINC000830311155 633848646 /nfs/dbraw/zinc/84/86/46/633848646.db2.gz GGDGLIZBNZXILV-UHFFFAOYSA-N 1 1 285.387 3.133 20 30 CGEDMO C#CC1CC[NH+](Cc2nc(-c3ccc(F)c(C)c3)no2)CC1 ZINC000830329642 633850912 /nfs/dbraw/zinc/85/09/12/633850912.db2.gz AIAYLZNLESZJFJ-UHFFFAOYSA-N 1 1 299.349 3.029 20 30 CGEDMO C=C(Cl)C[C@H]([NH3+])c1nc(Cc2ccccc2C)no1 ZINC000871789655 633865077 /nfs/dbraw/zinc/86/50/77/633865077.db2.gz NCBPSSFHJKHXMY-LBPRGKRZSA-N 1 1 277.755 3.111 20 30 CGEDMO CN1CC[N@@H+](CCC2(C#N)CCCCC2)Cc2cccnc21 ZINC000872319991 634108839 /nfs/dbraw/zinc/10/88/39/634108839.db2.gz WBDQCODPNIVEGO-UHFFFAOYSA-N 1 1 298.434 3.198 20 30 CGEDMO Cc1[nH+]c(C=NNC[C@H]2CCCC2(F)F)c2ccccn12 ZINC000872407569 634135162 /nfs/dbraw/zinc/13/51/62/634135162.db2.gz AJRHEWKEXCFCEK-GFCCVEGCSA-N 1 1 292.333 3.002 20 30 CGEDMO CC(C)[C@H]1[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CC12CCCC2 ZINC000834392704 634160342 /nfs/dbraw/zinc/16/03/42/634160342.db2.gz MXZGUQRWKGQKIB-ZWKOTPCHSA-N 1 1 298.430 3.492 20 30 CGEDMO C=CCNN=C1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]12 ZINC000834977682 634301638 /nfs/dbraw/zinc/30/16/38/634301638.db2.gz PZDRGLYDBDEXPJ-SJLPKXTDSA-N 1 1 283.419 3.193 20 30 CGEDMO C#CC[N@H+](Cc1cnc(CCOC)s1)C1CCCCC1 ZINC000876642989 634874515 /nfs/dbraw/zinc/87/45/15/634874515.db2.gz QNBUTUCZZHUPQO-UHFFFAOYSA-N 1 1 292.448 3.100 20 30 CGEDMO N#CC1CC[NH+](Cc2ccc3ccc(F)c(F)c3n2)CC1 ZINC000876652654 634875323 /nfs/dbraw/zinc/87/53/23/634875323.db2.gz GMMWQQDTOUXFEB-UHFFFAOYSA-N 1 1 287.313 3.249 20 30 CGEDMO C#CCCCCCC[N@@H+](C)[C@@H]1CCN(CC)C[C@H]1C ZINC000876763561 634895554 /nfs/dbraw/zinc/89/55/54/634895554.db2.gz KLVCAKFNBXFAOD-IAGOWNOFSA-N 1 1 264.457 3.232 20 30 CGEDMO C#CCCCCCC[N@H+](C)[C@@H]1CCN(CC)C[C@H]1C ZINC000876763561 634895556 /nfs/dbraw/zinc/89/55/56/634895556.db2.gz KLVCAKFNBXFAOD-IAGOWNOFSA-N 1 1 264.457 3.232 20 30 CGEDMO C=C(Br)C[NH2+]Cc1c(C)cccc1OC ZINC000877019626 634952424 /nfs/dbraw/zinc/95/24/24/634952424.db2.gz BEHBCNLMPNDYJF-UHFFFAOYSA-N 1 1 270.170 3.002 20 30 CGEDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000877413856 635037533 /nfs/dbraw/zinc/03/75/33/635037533.db2.gz SDTNREFIDLKRLF-ZWNOBZJWSA-N 1 1 263.772 3.227 20 30 CGEDMO CCOc1cccc(/C=N\CCCC[N@@H+](C)C2CC2)c1O ZINC000840708388 635037955 /nfs/dbraw/zinc/03/79/55/635037955.db2.gz ANHBLNVYVKXYMY-AQTBWJFISA-N 1 1 290.407 3.084 20 30 CGEDMO CC1=C(Br)C[N@@H+](C[C@H](C)CCC#N)CC1 ZINC000877493517 635059544 /nfs/dbraw/zinc/05/95/44/635059544.db2.gz DOVNIJKMVUERNV-SNVBAGLBSA-N 1 1 271.202 3.301 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000877519271 635069074 /nfs/dbraw/zinc/06/90/74/635069074.db2.gz XKUKYNSGCLTRPS-CQSZACIVSA-N 1 1 291.357 3.349 20 30 CGEDMO C[C@]12CC[N@@H+](Cc3cc(C#N)cnc3Cl)C[C@H]1C2(F)F ZINC000877543973 635081928 /nfs/dbraw/zinc/08/19/28/635081928.db2.gz OBPSVECFPAVUFS-YPMHNXCESA-N 1 1 297.736 3.084 20 30 CGEDMO C#CCCCCCC[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000877586158 635103168 /nfs/dbraw/zinc/10/31/68/635103168.db2.gz VFPHPBLXRDRXEC-ZWKOTPCHSA-N 1 1 277.452 3.443 20 30 CGEDMO C[C@@H]1[C@H](C)C[N@@H+](Cc2cc(C#N)cnc2Cl)[C@H]1C ZINC000877593892 635106080 /nfs/dbraw/zinc/10/60/80/635106080.db2.gz ITBRDGHFNBSZCT-MXWKQRLJSA-N 1 1 263.772 3.083 20 30 CGEDMO CSC(C)(C)CC[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000877609579 635110649 /nfs/dbraw/zinc/11/06/49/635110649.db2.gz MBNXUUYZGIYUDQ-OAHLLOKOSA-N 1 1 292.448 3.055 20 30 CGEDMO C[N@@H+](C[C@@H](O)c1cccc(C#N)c1)CC1(C)CCCC1 ZINC000877609485 635110826 /nfs/dbraw/zinc/11/08/26/635110826.db2.gz LGTBQWBRBRKSCK-MRXNPFEDSA-N 1 1 272.392 3.104 20 30 CGEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CCC[C@@H](CCF)C1 ZINC000877631027 635122610 /nfs/dbraw/zinc/12/26/10/635122610.db2.gz NCOZEIPXFIKQCJ-AWEZNQCLSA-N 1 1 289.398 3.196 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877651616 635132481 /nfs/dbraw/zinc/13/24/81/635132481.db2.gz YZTBLXMPNVSVTO-LLVKDONJSA-N 1 1 261.756 3.005 20 30 CGEDMO Cc1ccc(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)cc1F ZINC000842156785 635298655 /nfs/dbraw/zinc/29/86/55/635298655.db2.gz NZVYNBBKRQHDLS-GOSISDBHSA-N 1 1 298.361 3.171 20 30 CGEDMO Cc1cc(C)cc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)c1 ZINC000842157821 635298704 /nfs/dbraw/zinc/29/87/04/635298704.db2.gz VWHKXFMVESOGPS-IBGZPJMESA-N 1 1 294.398 3.341 20 30 CGEDMO CC[N@H+](C[C@H](C)C#N)C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000878020744 635322993 /nfs/dbraw/zinc/32/29/93/635322993.db2.gz PSXINIAMBGYZNF-HYVNUMGLSA-N 1 1 272.392 3.388 20 30 CGEDMO CC[N@@H+](C[C@H](C)C#N)C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000878020744 635322997 /nfs/dbraw/zinc/32/29/97/635322997.db2.gz PSXINIAMBGYZNF-HYVNUMGLSA-N 1 1 272.392 3.388 20 30 CGEDMO C=CC[C@H](C)[N@@H+](CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000878048430 635336025 /nfs/dbraw/zinc/33/60/25/635336025.db2.gz PFNOTYXFZMPSMQ-AWEZNQCLSA-N 1 1 274.408 3.175 20 30 CGEDMO C#CCCCCC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000878101027 635356904 /nfs/dbraw/zinc/35/69/04/635356904.db2.gz JYZFNCSSLFDMCL-INIZCTEOSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CC[C@@H](C)[N@@H+](C)Cc1nc([C@@H](C)OCC(C)C)no1 ZINC000878154117 635383560 /nfs/dbraw/zinc/38/35/60/635383560.db2.gz PYASWGQHBZREKJ-CHWSQXEVSA-N 1 1 281.400 3.200 20 30 CGEDMO C=CC[C@@H](C)[N@H+](C)Cc1nc([C@@H](C)OCC(C)C)no1 ZINC000878154117 635383564 /nfs/dbraw/zinc/38/35/64/635383564.db2.gz PYASWGQHBZREKJ-CHWSQXEVSA-N 1 1 281.400 3.200 20 30 CGEDMO CC1(C)C[C@@H](C[N@@H+](CCC#N)CC2CC2)C(C)(C)O1 ZINC000878159075 635385729 /nfs/dbraw/zinc/38/57/29/635385729.db2.gz DEZKRYCYYNSEAX-AWEZNQCLSA-N 1 1 264.413 3.206 20 30 CGEDMO C#CCCCCCN1CC[N@H+](CCCCCC#C)C[C@@H]1C ZINC000878209812 635414048 /nfs/dbraw/zinc/41/40/48/635414048.db2.gz KCZXPYKZCDQACV-IBGZPJMESA-N 1 1 288.479 3.380 20 30 CGEDMO C#CCCCCCN1CC[N@H+](CCCCCC#C)[C@@H](C)C1 ZINC000878209812 635414052 /nfs/dbraw/zinc/41/40/52/635414052.db2.gz KCZXPYKZCDQACV-IBGZPJMESA-N 1 1 288.479 3.380 20 30 CGEDMO C#CCCCCCN1CC[N@@H+](CCCCCC#C)[C@@H](C)C1 ZINC000878209812 635414058 /nfs/dbraw/zinc/41/40/58/635414058.db2.gz KCZXPYKZCDQACV-IBGZPJMESA-N 1 1 288.479 3.380 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cn2cc(-c3ccccc3)cn2)C1 ZINC000842628382 635421501 /nfs/dbraw/zinc/42/15/01/635421501.db2.gz BNTRCCXZMLOLEF-INIZCTEOSA-N 1 1 279.387 3.243 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000878384392 635483203 /nfs/dbraw/zinc/48/32/03/635483203.db2.gz KTMKUMWKQLMKMK-IHRRRGAJSA-N 1 1 282.428 3.186 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000878391718 635484554 /nfs/dbraw/zinc/48/45/54/635484554.db2.gz BBNVIJOGXNTCLA-ZDUSSCGKSA-N 1 1 285.366 3.334 20 30 CGEDMO C=CCC(C)(C)C(=O)OC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000842831889 635487647 /nfs/dbraw/zinc/48/76/47/635487647.db2.gz YCFNOZIXWYFDNW-CQSZACIVSA-N 1 1 267.413 3.252 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000878525322 635544780 /nfs/dbraw/zinc/54/47/80/635544780.db2.gz ZJHAJBADJMJJBP-RBUKOAKNSA-N 1 1 296.414 3.468 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)o1 ZINC000878544921 635550602 /nfs/dbraw/zinc/55/06/02/635550602.db2.gz BLFNYODSAOXPHO-ZACQAIPSSA-N 1 1 288.391 3.057 20 30 CGEDMO N#Cc1ccc(C[NH+]2CCC(F)(c3ccccn3)CC2)o1 ZINC000878574473 635560512 /nfs/dbraw/zinc/56/05/12/635560512.db2.gz TUUAQTQJLFBIPS-UHFFFAOYSA-N 1 1 285.322 3.007 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+]Cc1coc(-c2cccc(OC)c2)n1 ZINC000878660416 635594970 /nfs/dbraw/zinc/59/49/70/635594970.db2.gz HJPFVSCTUAZSRX-KRWDZBQOSA-N 1 1 284.359 3.242 20 30 CGEDMO C#CCCCCC[N@H+](C)C[C@](C)(O)c1ccccc1 ZINC000878728629 635617850 /nfs/dbraw/zinc/61/78/50/635617850.db2.gz QBTLDMMAVYEJKC-KRWDZBQOSA-N 1 1 259.393 3.020 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2scnc2C2CC2)C1 ZINC000843423374 635667070 /nfs/dbraw/zinc/66/70/70/635667070.db2.gz MUJOHIPXGVXMOE-GFCCVEGCSA-N 1 1 260.406 3.256 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000843424451 635667952 /nfs/dbraw/zinc/66/79/52/635667952.db2.gz UPUIFHGKWBMODN-OAHLLOKOSA-N 1 1 279.387 3.312 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CC[C@@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000879032051 635686203 /nfs/dbraw/zinc/68/62/03/635686203.db2.gz JCRYYHLGLLYSHS-IEBWSBKVSA-N 1 1 296.414 3.325 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000879427558 635786010 /nfs/dbraw/zinc/78/60/10/635786010.db2.gz GLCKITGJSCVMNL-HUUCEWRRSA-N 1 1 292.467 3.358 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879564628 635811666 /nfs/dbraw/zinc/81/16/66/635811666.db2.gz IBWMXRCLPREISP-GXTWGEPZSA-N 1 1 292.835 3.397 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879564628 635811691 /nfs/dbraw/zinc/81/16/91/635811691.db2.gz IBWMXRCLPREISP-GXTWGEPZSA-N 1 1 292.835 3.397 20 30 CGEDMO Cc1cncc([C@H]2CCC[N@H+]2CCCSCC#N)c1 ZINC000879748533 635851998 /nfs/dbraw/zinc/85/19/98/635851998.db2.gz FQBTYDSQRITOGA-OAHLLOKOSA-N 1 1 275.421 3.174 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCc2ccc(Cl)cc2[C@H](C)C1 ZINC000844394880 635889820 /nfs/dbraw/zinc/88/98/20/635889820.db2.gz AAJNYPBGFCSHIH-OLZOCXBDSA-N 1 1 292.810 3.230 20 30 CGEDMO N#Cc1cnccc1C[N@H+]1CC[C@]2(CCc3ccccc32)C1 ZINC000879997651 635893734 /nfs/dbraw/zinc/89/37/34/635893734.db2.gz QLYIAENQYTWINQ-LJQANCHMSA-N 1 1 289.382 3.043 20 30 CGEDMO C=C(Br)C[N@H+]1CC[C@@H](c2nc(C)cs2)C1 ZINC000880008420 635897150 /nfs/dbraw/zinc/89/71/50/635897150.db2.gz ASYSZFKQZTVHME-SNVBAGLBSA-N 1 1 287.226 3.149 20 30 CGEDMO C=C(Br)C[N@@H+]1CC[C@@H](c2nc(C)cs2)C1 ZINC000880008420 635897153 /nfs/dbraw/zinc/89/71/53/635897153.db2.gz ASYSZFKQZTVHME-SNVBAGLBSA-N 1 1 287.226 3.149 20 30 CGEDMO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844442817 635903719 /nfs/dbraw/zinc/90/37/19/635903719.db2.gz FXZKHRKYIIOUSE-AWEZNQCLSA-N 1 1 280.293 3.319 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844442817 635903723 /nfs/dbraw/zinc/90/37/23/635903723.db2.gz FXZKHRKYIIOUSE-AWEZNQCLSA-N 1 1 280.293 3.319 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](CF)C2)c(OC(F)F)c1 ZINC000880233804 635945276 /nfs/dbraw/zinc/94/52/76/635945276.db2.gz MVDPEQDCRBVPHW-LBPRGKRZSA-N 1 1 298.308 3.341 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](CF)C2)c(OC(F)F)c1 ZINC000880233804 635945281 /nfs/dbraw/zinc/94/52/81/635945281.db2.gz MVDPEQDCRBVPHW-LBPRGKRZSA-N 1 1 298.308 3.341 20 30 CGEDMO CN(CCCC[NH+]1CCCCC1)Cc1ccc(C#N)s1 ZINC000880517207 636013133 /nfs/dbraw/zinc/01/31/33/636013133.db2.gz MFXFVDGXYPIBFD-UHFFFAOYSA-N 1 1 291.464 3.318 20 30 CGEDMO C=C(C)C(C)(C)C(=O)OC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000845730572 636088007 /nfs/dbraw/zinc/08/80/07/636088007.db2.gz ONSNLKVZOXVSHM-LBPRGKRZSA-N 1 1 253.386 3.005 20 30 CGEDMO Cc1cc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)cs1 ZINC000846008167 636128457 /nfs/dbraw/zinc/12/84/57/636128457.db2.gz SGAXKOQWVBEQRP-INIZCTEOSA-N 1 1 286.400 3.094 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c1 ZINC000846108779 636144557 /nfs/dbraw/zinc/14/45/57/636144557.db2.gz QCWDTFQLVVKVRO-GFCCVEGCSA-N 1 1 268.332 3.241 20 30 CGEDMO CC[C@H]1C[C@H](C[N@@H+]2Cc3cccc(C#N)c3C2)CCO1 ZINC000846117343 636146883 /nfs/dbraw/zinc/14/68/83/636146883.db2.gz NHYHZZSGUOLLJK-CJNGLKHVSA-N 1 1 270.376 3.079 20 30 CGEDMO CC[C@H]1C[C@H](C[N@H+]2Cc3cccc(C#N)c3C2)CCO1 ZINC000846117343 636146885 /nfs/dbraw/zinc/14/68/85/636146885.db2.gz NHYHZZSGUOLLJK-CJNGLKHVSA-N 1 1 270.376 3.079 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(-c3ncco3)cc2F)C1 ZINC000847019416 636313035 /nfs/dbraw/zinc/31/30/35/636313035.db2.gz QACCNLPWUVVPAT-ZDUSSCGKSA-N 1 1 284.334 3.326 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2nc3ccc(OC)cc3s2)C1 ZINC000847022584 636314272 /nfs/dbraw/zinc/31/42/72/636314272.db2.gz VEJZNSWGGLKHTI-GFCCVEGCSA-N 1 1 286.400 3.150 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2nc3ccc(OC)cc3s2)C1 ZINC000847022584 636314274 /nfs/dbraw/zinc/31/42/74/636314274.db2.gz VEJZNSWGGLKHTI-GFCCVEGCSA-N 1 1 286.400 3.150 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC000847024780 636315175 /nfs/dbraw/zinc/31/51/75/636315175.db2.gz LCQSTJYOTKYYEA-LBPRGKRZSA-N 1 1 272.373 3.248 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2csc(-c3ccoc3)n2)C1 ZINC000847024780 636315176 /nfs/dbraw/zinc/31/51/76/636315176.db2.gz LCQSTJYOTKYYEA-LBPRGKRZSA-N 1 1 272.373 3.248 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000847028430 636318154 /nfs/dbraw/zinc/31/81/54/636318154.db2.gz YDVYCXJQQFNAND-NSHDSACASA-N 1 1 278.739 3.093 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000847028430 636318157 /nfs/dbraw/zinc/31/81/57/636318157.db2.gz YDVYCXJQQFNAND-NSHDSACASA-N 1 1 278.739 3.093 20 30 CGEDMO C#CCCC[N@@H+]1CCOc2cccc(Br)c2C1 ZINC000847051156 636322432 /nfs/dbraw/zinc/32/24/32/636322432.db2.gz HEOMTBXDASUVMU-UHFFFAOYSA-N 1 1 294.192 3.057 20 30 CGEDMO C#CCCC[N@H+]1CCOc2cccc(Br)c2C1 ZINC000847051156 636322435 /nfs/dbraw/zinc/32/24/35/636322435.db2.gz HEOMTBXDASUVMU-UHFFFAOYSA-N 1 1 294.192 3.057 20 30 CGEDMO c1ccc2c(N=NC3CCC[N@@H+]4CCCC[C@@H]34)cnnc2c1 ZINC000848406924 636568387 /nfs/dbraw/zinc/56/83/87/636568387.db2.gz RZVKUZCLOYHDAG-KRWDZBQOSA-N 1 1 295.390 3.046 20 30 CGEDMO c1ccc2c(N=NC3CCC[N@@H+]4CCCC[C@H]34)ccnc2c1 ZINC000848405725 636568475 /nfs/dbraw/zinc/56/84/75/636568475.db2.gz WDHNHNOOXPHDQT-GOSISDBHSA-N 1 1 294.402 3.073 20 30 CGEDMO COc1cc(F)ccc1N=NC1CCC[N@H+]2CCCC[C@@H]12 ZINC000848409927 636569325 /nfs/dbraw/zinc/56/93/25/636569325.db2.gz FWKUNKXJTKBQKX-HNNXBMFYSA-N 1 1 291.370 3.251 20 30 CGEDMO Clc1cccc(N=NC2CCC[N@H+]3CCCC[C@H]23)n1 ZINC000848410468 636570473 /nfs/dbraw/zinc/57/04/73/636570473.db2.gz OYTXHWOHQLHSKF-GFCCVEGCSA-N 1 1 278.787 3.151 20 30 CGEDMO C#CCOc1ccc(CNc2cccc(C)[nH+]2)cc1 ZINC000131198380 636574824 /nfs/dbraw/zinc/57/48/24/636574824.db2.gz KWSNFSKFASZBSP-UHFFFAOYSA-N 1 1 252.317 3.014 20 30 CGEDMO N#CCCCC[C@H]([NH3+])c1nc(-c2cccc3[nH]ccc32)no1 ZINC000848620768 636620415 /nfs/dbraw/zinc/62/04/15/636620415.db2.gz GMLHNVSYGMBLGC-ZDUSSCGKSA-N 1 1 295.346 3.302 20 30 CGEDMO C=CCCn1cc(CNc2c(C)cc([NH+](C)C)cc2C)nn1 ZINC000848662273 636631074 /nfs/dbraw/zinc/63/10/74/636631074.db2.gz PFIZQZNFIDBSNB-UHFFFAOYSA-N 1 1 299.422 3.149 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(C)c3ncccc3c2)C1 ZINC000848924130 636696023 /nfs/dbraw/zinc/69/60/23/636696023.db2.gz OHFNFZQKGMDWLY-OAHLLOKOSA-N 1 1 264.372 3.388 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC[C@H](OC3CCC3)C2)cc1 ZINC000848925636 636696898 /nfs/dbraw/zinc/69/68/98/636696898.db2.gz ZOQXNFKGBRLWIU-SFHVURJKSA-N 1 1 269.388 3.201 20 30 CGEDMO CCOc1ccc(/C=N/C[C@H]2CC[N@H+]2C(C)(C)C)c(O)c1 ZINC000849169992 636762190 /nfs/dbraw/zinc/76/21/90/636762190.db2.gz JEVXJPBBLZYQAI-XWAFYUISSA-N 1 1 290.407 3.083 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000134952041 637054936 /nfs/dbraw/zinc/05/49/36/637054936.db2.gz VRWKKEVQODYIMI-INIZCTEOSA-N 1 1 284.363 3.117 20 30 CGEDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000885929491 637315828 /nfs/dbraw/zinc/31/58/28/637315828.db2.gz QQSZSDVUGIIOMJ-CZUORRHYSA-N 1 1 290.382 3.263 20 30 CGEDMO N#CC1(C[C@H](O)C[N@@H+](CC2CC2)C2CCCCC2)CCC1 ZINC000885984134 637343102 /nfs/dbraw/zinc/34/31/02/637343102.db2.gz XXJLQSKPWISNII-KRWDZBQOSA-N 1 1 290.451 3.476 20 30 CGEDMO C[C@@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCC2)[C@H]1c1ccccc1 ZINC000886033353 637377701 /nfs/dbraw/zinc/37/77/01/637377701.db2.gz SZFZMYJWHNFNCT-HYVNUMGLSA-N 1 1 284.403 3.124 20 30 CGEDMO CCCCC[C@H]1CCC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886043777 637383475 /nfs/dbraw/zinc/38/34/75/637383475.db2.gz JORVORIVKJXSTR-HOTGVXAUSA-N 1 1 278.440 3.476 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](C[C@H]2CCC3(CCC3)CO2)C1 ZINC000886265384 637471404 /nfs/dbraw/zinc/47/14/04/637471404.db2.gz HHXTXQRCKGMWKA-JKSUJKDBSA-N 1 1 261.409 3.071 20 30 CGEDMO C#CCCOc1ccc(C[NH2+]Cc2cc(C3CC3)no2)cc1 ZINC000886272642 637476139 /nfs/dbraw/zinc/47/61/39/637476139.db2.gz WYNXCQCCAMTGGN-UHFFFAOYSA-N 1 1 296.370 3.244 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1F)[C@@H]1CC[C@H](OC)C1 ZINC000851734551 637482815 /nfs/dbraw/zinc/48/28/15/637482815.db2.gz UORUTVBDPMVMLF-CABCVRRESA-N 1 1 263.356 3.381 20 30 CGEDMO CC(C)[N@@H+](CCOC(F)F)Cc1ccc(C#N)cc1 ZINC000851738427 637485536 /nfs/dbraw/zinc/48/55/36/637485536.db2.gz GNKFGYVRKVTJMK-UHFFFAOYSA-N 1 1 268.307 3.008 20 30 CGEDMO C[C@@H](C[N@@H+](C)C[C@H](O)CC1(C#N)CCC1)C(C)(C)C ZINC000886314364 637495201 /nfs/dbraw/zinc/49/52/01/637495201.db2.gz VTPHNUWOXCJRNI-UONOGXRCSA-N 1 1 266.429 3.045 20 30 CGEDMO C#CC[C@@H]1CC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000886354000 637509784 /nfs/dbraw/zinc/50/97/84/637509784.db2.gz UHMQLFHCKDVCBI-CHWSQXEVSA-N 1 1 258.321 3.001 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2coc(-c3cccc(OC)c3)n2)C1 ZINC000886366176 637515944 /nfs/dbraw/zinc/51/59/44/637515944.db2.gz YRZXKKCXUKNGPP-AWEZNQCLSA-N 1 1 296.370 3.195 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886617316 637608646 /nfs/dbraw/zinc/60/86/46/637608646.db2.gz KJWCXQSQKZVCIU-WOPDTQHZSA-N 1 1 260.303 3.343 20 30 CGEDMO CC(C)CC(N)=[NH+]OCc1ccc(OC(C)C)cc1 ZINC000110476367 637613294 /nfs/dbraw/zinc/61/32/94/637613294.db2.gz YZVCQHCOWBBISP-UHFFFAOYSA-N 1 1 264.369 3.309 20 30 CGEDMO C#CCC[N@@H+](Cc1ccccc1)[C@H]1COC(C)(C)C1 ZINC000852342793 637637569 /nfs/dbraw/zinc/63/75/69/637637569.db2.gz KFFDGUOTQIQORU-MRXNPFEDSA-N 1 1 257.377 3.079 20 30 CGEDMO CSc1ccc(C[NH2+][C@H]2CCCn3ccnc32)cc1C#N ZINC000886690022 637654949 /nfs/dbraw/zinc/65/49/49/637654949.db2.gz NCFPOFIOEOFKMT-AWEZNQCLSA-N 1 1 298.415 3.101 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@H](Cc2nc(C)cs2)C1 ZINC000886691694 637655965 /nfs/dbraw/zinc/65/59/65/637655965.db2.gz KPBKTUPATKUUGX-CQSZACIVSA-N 1 1 262.422 3.119 20 30 CGEDMO Cc1csc(C[C@@H]2CCC[N@H+]([C@H](C)CCC#N)C2)n1 ZINC000886691568 637656793 /nfs/dbraw/zinc/65/67/93/637656793.db2.gz HGELXPZNZLVGLE-KGLIPLIRSA-N 1 1 277.437 3.398 20 30 CGEDMO C=CCCCC[N@@H+]1CC2CC1(CNC(=O)OC(C)(C)C)C2 ZINC000852525824 637671458 /nfs/dbraw/zinc/67/14/58/637671458.db2.gz SFCFVRYDWOIPRE-UHFFFAOYSA-N 1 1 294.439 3.332 20 30 CGEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000852634053 637688386 /nfs/dbraw/zinc/68/83/86/637688386.db2.gz FMPUCKCPTIPXLV-VXGBXAGGSA-N 1 1 276.767 3.084 20 30 CGEDMO CCCCC[C@@H]1CCCC[N@H+]1CCO[C@@H](C)C#N ZINC000852710907 637697769 /nfs/dbraw/zinc/69/77/69/637697769.db2.gz ATDYHWFYIDSRNG-LSDHHAIUSA-N 1 1 252.402 3.350 20 30 CGEDMO Clc1cccc(C#CC[N@H+]2CC[C@H]([C@H]3CCCO3)C2)c1 ZINC000886816790 637703902 /nfs/dbraw/zinc/70/39/02/637703902.db2.gz YOXMXMPNSUSHOH-DOTOQJQBSA-N 1 1 289.806 3.192 20 30 CGEDMO Cc1cc(C(F)(F)F)cc(N2CCC(C#N)CC2)[nH+]1 ZINC000853242298 637792823 /nfs/dbraw/zinc/79/28/23/637792823.db2.gz QZAVZXCXEDXCFX-UHFFFAOYSA-N 1 1 269.270 3.149 20 30 CGEDMO C#Cc1cccnc1N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000853479997 637851913 /nfs/dbraw/zinc/85/19/13/637851913.db2.gz BNLZIRRCFVNRQR-AWEZNQCLSA-N 1 1 297.427 3.008 20 30 CGEDMO C=CC[N@H+](Cn1cc(-c2ccccc2)cn1)[C@@H](C)COC ZINC000853532739 637862625 /nfs/dbraw/zinc/86/26/25/637862625.db2.gz KVLQMPFIBFLISR-HNNXBMFYSA-N 1 1 285.391 3.031 20 30 CGEDMO C=CC[N@@H+](Cn1cc(-c2ccccc2)cn1)[C@@H](C)COC ZINC000853532739 637862631 /nfs/dbraw/zinc/86/26/31/637862631.db2.gz KVLQMPFIBFLISR-HNNXBMFYSA-N 1 1 285.391 3.031 20 30 CGEDMO C=CC[N@@H+](Cc1cc(C)c(C)cc1O)[C@H](C)COC ZINC000853533126 637862640 /nfs/dbraw/zinc/86/26/40/637862640.db2.gz VJILVMCGWVGHKA-CQSZACIVSA-N 1 1 263.381 3.032 20 30 CGEDMO C=CC[C@H]1CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000855436379 638196755 /nfs/dbraw/zinc/19/67/55/638196755.db2.gz ABPORNJELLIKKO-WMLDXEAASA-N 1 1 296.430 3.014 20 30 CGEDMO CC[C@H](C)[N@@H+](CCCCC1(C#N)CCC1)CC(=O)OC ZINC000930306853 638274865 /nfs/dbraw/zinc/27/48/65/638274865.db2.gz MJUHZBGGSTZIRG-AWEZNQCLSA-N 1 1 280.412 3.124 20 30 CGEDMO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccnn1C1CCC1 ZINC000925475937 638508558 /nfs/dbraw/zinc/50/85/58/638508558.db2.gz NZGGOYXUDJYMBW-GFCCVEGCSA-N 1 1 298.365 3.470 20 30 CGEDMO C=C(CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)c1ccccc1 ZINC000925632574 638550674 /nfs/dbraw/zinc/55/06/74/638550674.db2.gz AYKBIUQPXRYPPR-RBUKOAKNSA-N 1 1 284.447 3.458 20 30 CGEDMO CCC1([NH3+])CCN([C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000925755862 638598722 /nfs/dbraw/zinc/59/87/22/638598722.db2.gz IBJHPKRFRAQAOT-KRWDZBQOSA-N 1 1 283.419 3.139 20 30 CGEDMO C=CCCC[C@@H](N[C@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000925764574 638601630 /nfs/dbraw/zinc/60/16/30/638601630.db2.gz HRTOGEDVLDHAEV-RHSMWYFYSA-N 1 1 258.409 3.282 20 30 CGEDMO C=CCCCCC[C@H](C)[NH2+]C[C@H]1CNCCC1(F)F ZINC000925774493 638607174 /nfs/dbraw/zinc/60/71/74/638607174.db2.gz ATEAPGVPMKTGOH-UONOGXRCSA-N 1 1 274.399 3.346 20 30 CGEDMO CCCCCCCNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000858110786 638631555 /nfs/dbraw/zinc/63/15/55/638631555.db2.gz IOXFTKXKQVWCBF-MRXNPFEDSA-N 1 1 297.487 3.376 20 30 CGEDMO C=C(C)[C@H]([NH2+][C@@H](C)c1cnnn1C)c1ccc(F)c(F)c1 ZINC000926205834 638740190 /nfs/dbraw/zinc/74/01/90/638740190.db2.gz ILSYRYXYNLYUBR-BONVTDFDSA-N 1 1 292.333 3.061 20 30 CGEDMO C[C@H](CC(C)(C)C#N)[NH2+][C@H](C)c1c(F)cncc1F ZINC000926417747 638769521 /nfs/dbraw/zinc/76/95/21/638769521.db2.gz IAECXEXJGXEFNT-NXEZZACHSA-N 1 1 267.323 3.339 20 30 CGEDMO CCC[N@H+](CC)C[C@@H](C)N[C@@H](C)CC(C)(C)C#N ZINC000926458454 638773466 /nfs/dbraw/zinc/77/34/66/638773466.db2.gz NXJUQIOHABKQDN-UONOGXRCSA-N 1 1 253.434 3.025 20 30 CGEDMO CCC[N@@H+](CC)C[C@@H](C)N[C@@H](C)CC(C)(C)C#N ZINC000926458454 638773467 /nfs/dbraw/zinc/77/34/67/638773467.db2.gz NXJUQIOHABKQDN-UONOGXRCSA-N 1 1 253.434 3.025 20 30 CGEDMO C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1cc(CO)on1 ZINC000926480119 638775275 /nfs/dbraw/zinc/77/52/75/638775275.db2.gz OPRXLQLBARPNDO-XJKSGUPXSA-N 1 1 299.374 3.253 20 30 CGEDMO C=CCn1ncc2ccc(N[C@H]3CC[N@@H+](C)[C@H](C)C3)cc21 ZINC000927068266 638837713 /nfs/dbraw/zinc/83/77/13/638837713.db2.gz UBCBTJSXHBAEME-CJNGLKHVSA-N 1 1 284.407 3.117 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCC[C@@H]2Cc2ccccc2)c1 ZINC000929160559 638904060 /nfs/dbraw/zinc/90/40/60/638904060.db2.gz JHFQEOHGGKQIND-GOSISDBHSA-N 1 1 277.371 3.160 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000929298842 638917152 /nfs/dbraw/zinc/91/71/52/638917152.db2.gz XNNDEZMFGNIYRG-MRXNPFEDSA-N 1 1 294.402 3.278 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000929298842 638917153 /nfs/dbraw/zinc/91/71/53/638917153.db2.gz XNNDEZMFGNIYRG-MRXNPFEDSA-N 1 1 294.402 3.278 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000929298842 638917155 /nfs/dbraw/zinc/91/71/55/638917155.db2.gz XNNDEZMFGNIYRG-MRXNPFEDSA-N 1 1 294.402 3.278 20 30 CGEDMO COCC[N@@H+](Cc1cncc(C#N)c1)[C@@H](C)c1ccccc1 ZINC000929391203 638923251 /nfs/dbraw/zinc/92/32/51/638923251.db2.gz DJBNPLTUJKKJQL-HNNXBMFYSA-N 1 1 295.386 3.163 20 30 CGEDMO C[C@@H](O)[C@@H]1CCCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000929596178 638933246 /nfs/dbraw/zinc/93/32/46/638933246.db2.gz XUCUHKAKBOCABC-CABCVRRESA-N 1 1 264.413 3.086 20 30 CGEDMO CCC[C@@](C)([NH2+]CCCCC1(C#N)CCC1)C(=O)OC ZINC000929669815 638939040 /nfs/dbraw/zinc/93/90/40/638939040.db2.gz LPLPXSJKKAMAFF-OAHLLOKOSA-N 1 1 280.412 3.172 20 30 CGEDMO C[C@@H]1CSCC[N@@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000929689909 638941518 /nfs/dbraw/zinc/94/15/18/638941518.db2.gz ZYITZFQYPKTGOB-SNVBAGLBSA-N 1 1 266.797 3.149 20 30 CGEDMO C[C@@H]1CSCC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000929689909 638941519 /nfs/dbraw/zinc/94/15/19/638941519.db2.gz ZYITZFQYPKTGOB-SNVBAGLBSA-N 1 1 266.797 3.149 20 30 CGEDMO COC/C(C)=C\C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000929758445 638948220 /nfs/dbraw/zinc/94/82/20/638948220.db2.gz ZDERIDOTMIRYHY-TXTZYTMVSA-N 1 1 284.403 3.351 20 30 CGEDMO COC/C(C)=C\C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000929758445 638948221 /nfs/dbraw/zinc/94/82/21/638948221.db2.gz ZDERIDOTMIRYHY-TXTZYTMVSA-N 1 1 284.403 3.351 20 30 CGEDMO COC(=O)C[N@@H+](CCCCC1(C#N)CCC1)C1CCCC1 ZINC000929836234 638955878 /nfs/dbraw/zinc/95/58/78/638955878.db2.gz VDXKWWWPGKEOON-UHFFFAOYSA-N 1 1 292.423 3.268 20 30 CGEDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000930267085 638986752 /nfs/dbraw/zinc/98/67/52/638986752.db2.gz GAMNTZJKOBRXPF-CVEARBPZSA-N 1 1 278.440 3.476 20 30 CGEDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2CCCCC1(C#N)CCC1 ZINC000930452157 639001491 /nfs/dbraw/zinc/00/14/91/639001491.db2.gz KHMILAIKRLEVRG-DMRKSPOLSA-N 1 1 288.435 3.206 20 30 CGEDMO Cc1noc([C@@H]2CCCC[N@H+]2CC2CCC(C#N)CC2)n1 ZINC000930475192 639007000 /nfs/dbraw/zinc/00/70/00/639007000.db2.gz CUOURKVSPSVLQY-NRXISQOPSA-N 1 1 288.395 3.235 20 30 CGEDMO C#CC[C@H](COC)Nc1cc(C)[nH+]c2c(OC)cccc12 ZINC000858861187 639031797 /nfs/dbraw/zinc/03/17/97/639031797.db2.gz ZDPJFEVBETZFCR-CYBMUJFWSA-N 1 1 284.359 3.002 20 30 CGEDMO CO[C@@H]1CC[N@@H+](CC2CCC(C#N)CC2)CC1(C)C ZINC000930638753 639043359 /nfs/dbraw/zinc/04/33/59/639043359.db2.gz ORLFOZUUQJWMEG-YMAMQOFZSA-N 1 1 264.413 3.063 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000930650783 639046199 /nfs/dbraw/zinc/04/61/99/639046199.db2.gz NWAYKAMTHCKUJZ-INIZCTEOSA-N 1 1 286.419 3.158 20 30 CGEDMO CC[C@H]1CN(CC)CC[N@H+]1CCCCC1(C#N)CCC1 ZINC000930653487 639046257 /nfs/dbraw/zinc/04/62/57/639046257.db2.gz UROUQCNUCBFIFW-INIZCTEOSA-N 1 1 277.456 3.267 20 30 CGEDMO CC[C@H]1C[N@H+](CC)CCN1CCCCC1(C#N)CCC1 ZINC000930653487 639046260 /nfs/dbraw/zinc/04/62/60/639046260.db2.gz UROUQCNUCBFIFW-INIZCTEOSA-N 1 1 277.456 3.267 20 30 CGEDMO CC[C@H]1C[N@@H+](CC)CCN1CCCCC1(C#N)CCC1 ZINC000930653487 639046264 /nfs/dbraw/zinc/04/62/64/639046264.db2.gz UROUQCNUCBFIFW-INIZCTEOSA-N 1 1 277.456 3.267 20 30 CGEDMO CO[C@@H]1C[C@H]([N@@H+](C)CC2CCC(C#N)CC2)C12CCC2 ZINC000930652824 639046606 /nfs/dbraw/zinc/04/66/06/639046606.db2.gz PJMIFGVRMIZXOV-SSHXOBKSSA-N 1 1 276.424 3.206 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000930812322 639070047 /nfs/dbraw/zinc/07/00/47/639070047.db2.gz WHIBIJJGMDQRER-MRXNPFEDSA-N 1 1 272.392 3.174 20 30 CGEDMO N#CC1CCC(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)CC1 ZINC000930864374 639079313 /nfs/dbraw/zinc/07/93/13/639079313.db2.gz WAYXOXINYNQGJY-RUXDESIVSA-N 1 1 268.351 3.438 20 30 CGEDMO C#C[C@H]1CCC[N@H+](C2CC(OCc3ccccc3)C2)C1 ZINC000930884226 639081474 /nfs/dbraw/zinc/08/14/74/639081474.db2.gz AJIPYGOTRUUOQH-ZLPCBKJTSA-N 1 1 269.388 3.079 20 30 CGEDMO C[C@@H](CO)[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000930966974 639091071 /nfs/dbraw/zinc/09/10/71/639091071.db2.gz SFKAENDBIPKUFS-LRDDRELGSA-N 1 1 292.810 3.195 20 30 CGEDMO CN(C)c1ncc(C[N@@H+]2CC[C@@](C)(C#N)C2)c2ccccc21 ZINC000931063038 639106217 /nfs/dbraw/zinc/10/62/17/639106217.db2.gz ODMBDQCKTDTVME-SFHVURJKSA-N 1 1 294.402 3.036 20 30 CGEDMO CN(C)c1ncc(C[N@H+]2CC[C@@](C)(C#N)C2)c2ccccc21 ZINC000931063038 639106218 /nfs/dbraw/zinc/10/62/18/639106218.db2.gz ODMBDQCKTDTVME-SFHVURJKSA-N 1 1 294.402 3.036 20 30 CGEDMO C=CCCc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000931288534 639130711 /nfs/dbraw/zinc/13/07/11/639130711.db2.gz MYGZCCCUHBRTKI-UKRRQHHQSA-N 1 1 287.407 3.019 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccnc(Br)c2)C1 ZINC000859445537 639142873 /nfs/dbraw/zinc/14/28/73/639142873.db2.gz KKWBXBBYYCKVHL-NSHDSACASA-N 1 1 281.197 3.242 20 30 CGEDMO CCCCCCC[N@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000859520882 639155612 /nfs/dbraw/zinc/15/56/12/639155612.db2.gz ZKHKVDJGNNZGLY-MRXNPFEDSA-N 1 1 283.456 3.210 20 30 CGEDMO C[C@H](c1ccc(F)nc1)[N@@H+](C)CCc1cccc(C#N)c1 ZINC000931510511 639162954 /nfs/dbraw/zinc/16/29/54/639162954.db2.gz UQWPURNCHRIIPF-CYBMUJFWSA-N 1 1 283.350 3.328 20 30 CGEDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2[C@H](C#N)c1ccc(Cl)cc1 ZINC000931718447 639196667 /nfs/dbraw/zinc/19/66/67/639196667.db2.gz RNHZRFCANYBZRY-ARFHVFGLSA-N 1 1 289.810 3.073 20 30 CGEDMO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)c1 ZINC000931922998 639231986 /nfs/dbraw/zinc/23/19/86/639231986.db2.gz PKMRVWRXUBUGLZ-RBUKOAKNSA-N 1 1 274.367 3.332 20 30 CGEDMO Cn1ccc([C@@H]2CCC[N@@H+](CCCCC(C)(C)C#N)C2)n1 ZINC000932136551 639272153 /nfs/dbraw/zinc/27/21/53/639272153.db2.gz NRCIACKURQGIQR-OAHLLOKOSA-N 1 1 288.439 3.320 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC000860049640 639272546 /nfs/dbraw/zinc/27/25/46/639272546.db2.gz YLYUIYIIRYZAJQ-ZIAGYGMSSA-N 1 1 296.208 3.133 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC000860049640 639272554 /nfs/dbraw/zinc/27/25/54/639272554.db2.gz YLYUIYIIRYZAJQ-ZIAGYGMSSA-N 1 1 296.208 3.133 20 30 CGEDMO CC(C)(C)OC(=O)C1(CC[N@@H+]2CCC[C@H](C#N)C2)CCC1 ZINC000932147226 639274875 /nfs/dbraw/zinc/27/48/75/639274875.db2.gz BNNAKYVXZFPJPL-CQSZACIVSA-N 1 1 292.423 3.124 20 30 CGEDMO CC(C)(C)OC(=O)C1(CC[N@H+]2CCC[C@H](C#N)C2)CCC1 ZINC000932147226 639274879 /nfs/dbraw/zinc/27/48/79/639274879.db2.gz BNNAKYVXZFPJPL-CQSZACIVSA-N 1 1 292.423 3.124 20 30 CGEDMO C/C=C\C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000860182832 639303988 /nfs/dbraw/zinc/30/39/88/639303988.db2.gz UEIVRBXFKIGHAP-HMDTVDTHSA-N 1 1 284.403 3.270 20 30 CGEDMO CC1(C)[C@H](c2ccc(Cl)cc2)CC[N@H+]1C[C@H](O)CC#N ZINC000932282060 639311578 /nfs/dbraw/zinc/31/15/78/639311578.db2.gz DVNBXTUPGJDCSG-CABCVRRESA-N 1 1 292.810 3.182 20 30 CGEDMO C#CC[N@H+](CCc1nc(-c2ccccc2)no1)C(C)(C)C ZINC000932464115 639337503 /nfs/dbraw/zinc/33/75/03/639337503.db2.gz MEAUPRJTWGEZJL-UHFFFAOYSA-N 1 1 283.375 3.013 20 30 CGEDMO C=C(Br)C[NH2+][C@@]1(C)CCOc2ccccc21 ZINC000933365545 639440354 /nfs/dbraw/zinc/44/03/54/639440354.db2.gz BYMQELRIHSHPIN-ZDUSSCGKSA-N 1 1 282.181 3.183 20 30 CGEDMO C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)Cn1c[nH+]cc1C ZINC000860856337 639444634 /nfs/dbraw/zinc/44/46/34/639444634.db2.gz HBTCCZMCDUSUTE-VHDGCEQUSA-N 1 1 276.380 3.116 20 30 CGEDMO Cc1noc([C@H](C)[NH+]2CCC(c3ccc(C#N)cc3)CC2)n1 ZINC000933614935 639470993 /nfs/dbraw/zinc/47/09/93/639470993.db2.gz YFIDJRKWQCLQHN-LBPRGKRZSA-N 1 1 296.374 3.190 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933711290 639482308 /nfs/dbraw/zinc/48/23/08/639482308.db2.gz ATSCTVOHMIFUHX-RYUDHWBXSA-N 1 1 297.324 3.087 20 30 CGEDMO CC(=O)Nc1cccc(C[N@H+](C)Cc2cc(C#N)cs2)c1 ZINC000933777127 639489589 /nfs/dbraw/zinc/48/95/89/639489589.db2.gz FUBZIZDXWQVJNB-UHFFFAOYSA-N 1 1 299.399 3.210 20 30 CGEDMO CC(=O)Nc1cccc(C[N@@H+](C)Cc2cc(C#N)cs2)c1 ZINC000933777127 639489595 /nfs/dbraw/zinc/48/95/95/639489595.db2.gz FUBZIZDXWQVJNB-UHFFFAOYSA-N 1 1 299.399 3.210 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000933913738 639505857 /nfs/dbraw/zinc/50/58/57/639505857.db2.gz DWYYCLYRSQPOAU-OAGGEKHMSA-N 1 1 278.440 3.062 20 30 CGEDMO C[C@H]1CSCCC[N@H+]1CC1CCC(C#N)CC1 ZINC000934296228 639574349 /nfs/dbraw/zinc/57/43/49/639574349.db2.gz BTGJDOBKRJGZEL-HSBZDZAISA-N 1 1 252.427 3.144 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1cncc(C(F)(F)F)c1 ZINC000934463514 639612355 /nfs/dbraw/zinc/61/23/55/639612355.db2.gz JEBAWXAYROXKJR-LBPRGKRZSA-N 1 1 256.271 3.251 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1cncc(C(F)(F)F)c1 ZINC000934463514 639612360 /nfs/dbraw/zinc/61/23/60/639612360.db2.gz JEBAWXAYROXKJR-LBPRGKRZSA-N 1 1 256.271 3.251 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1C[C@@H](O)c1cccc(Cl)c1 ZINC000934468780 639613245 /nfs/dbraw/zinc/61/32/45/639613245.db2.gz JFHJHXWRXVWKRR-UONOGXRCSA-N 1 1 251.757 3.024 20 30 CGEDMO C#C[C@@H]1CCCC[N@@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000934513849 639624330 /nfs/dbraw/zinc/62/43/30/639624330.db2.gz KZCRWWVGZUURBE-QGZVFWFLSA-N 1 1 277.371 3.131 20 30 CGEDMO C#C[C@@H]1CCCC[N@H+]1Cc1cnc(-c2ccccc2)nc1 ZINC000934513849 639624331 /nfs/dbraw/zinc/62/43/31/639624331.db2.gz KZCRWWVGZUURBE-QGZVFWFLSA-N 1 1 277.371 3.131 20 30 CGEDMO C=CCCC[N@H+](CC)C[C@H](O)c1cc(OC)ccc1OC ZINC000934647455 639648601 /nfs/dbraw/zinc/64/86/01/639648601.db2.gz OWBUPSNAFSDNTK-INIZCTEOSA-N 1 1 293.407 3.025 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000934839612 639688875 /nfs/dbraw/zinc/68/88/75/639688875.db2.gz WTKQTZLISMDUBI-JKSUJKDBSA-N 1 1 278.440 3.455 20 30 CGEDMO C#Cc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)cc1 ZINC000934935609 639719746 /nfs/dbraw/zinc/71/97/46/639719746.db2.gz REDRVAZFARUDDC-PBHICJAKSA-N 1 1 299.418 3.004 20 30 CGEDMO C=CCn1c(C)nn(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c1=S ZINC000159346310 640040509 /nfs/dbraw/zinc/04/05/09/640040509.db2.gz HOPVEIOXUDLWJK-KBPBESRZSA-N 1 1 292.452 3.131 20 30 CGEDMO C=CCn1c(C)nn(C[N@H+]2CC[C@@H]3CCCC[C@@H]32)c1=S ZINC000159346310 640040511 /nfs/dbraw/zinc/04/05/11/640040511.db2.gz HOPVEIOXUDLWJK-KBPBESRZSA-N 1 1 292.452 3.131 20 30 CGEDMO NC(=[NH+]OCC[C@H]1CCCO1)C12CC3CC(CC(C3)C1)C2 ZINC000189219111 640177201 /nfs/dbraw/zinc/17/72/01/640177201.db2.gz BDIRSDYHQFRROW-UZZMVUAXSA-N 1 1 292.423 3.061 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC(C)(C)C ZINC001017357369 640801214 /nfs/dbraw/zinc/80/12/14/640801214.db2.gz JDGPDNZVKVACLC-GASCZTMLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2sccc2Cl)C1 ZINC001007394281 640940850 /nfs/dbraw/zinc/94/08/50/640940850.db2.gz BSVQEDYAKMFOMZ-NSHDSACASA-N 1 1 298.839 3.172 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2sccc2Cl)C1 ZINC001007394281 640940854 /nfs/dbraw/zinc/94/08/54/640940854.db2.gz BSVQEDYAKMFOMZ-NSHDSACASA-N 1 1 298.839 3.172 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2csc(C)c2C)C1 ZINC001007412833 640942832 /nfs/dbraw/zinc/94/28/32/640942832.db2.gz OTVWXSOTHSHGEV-CQSZACIVSA-N 1 1 292.448 3.135 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001007397863 640942876 /nfs/dbraw/zinc/94/28/76/640942876.db2.gz VXVTXBDARYSKGH-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001007909054 640945008 /nfs/dbraw/zinc/94/50/08/640945008.db2.gz UFHHUQPANIUYIL-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001008084361 640946711 /nfs/dbraw/zinc/94/67/11/640946711.db2.gz SVBLEODTBAKJGL-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001008464676 640952196 /nfs/dbraw/zinc/95/21/96/640952196.db2.gz ONEPQRCLMSPHKM-SOLBZPMBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2csc(C)c2)C1 ZINC001008878145 640954499 /nfs/dbraw/zinc/95/44/99/640954499.db2.gz VSVCWSZTADUKBX-OAHLLOKOSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2CCCCCC2)C1 ZINC001010368767 640967301 /nfs/dbraw/zinc/96/73/01/640967301.db2.gz GHHOWKNEKSCNJN-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccc3occc3c2)C1 ZINC001014520959 640973756 /nfs/dbraw/zinc/97/37/56/640973756.db2.gz GAUYYFLYZLMOEU-MRXNPFEDSA-N 1 1 298.386 3.203 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(CCCC)cc2)C1 ZINC001015178314 640978129 /nfs/dbraw/zinc/97/81/29/640978129.db2.gz HFGATFCDKAAWHL-KRWDZBQOSA-N 1 1 286.419 3.019 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2coc3cc(C)c(C)cc23)C1 ZINC001015400648 640979231 /nfs/dbraw/zinc/97/92/31/640979231.db2.gz XXLGOVNXCHZKKR-AWEZNQCLSA-N 1 1 298.386 3.040 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC001015655032 640983942 /nfs/dbraw/zinc/98/39/42/640983942.db2.gz KEBNNADDZVPUDO-QGZVFWFLSA-N 1 1 290.451 3.114 20 30 CGEDMO C=Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CCC(=C)C)C2)cc1 ZINC001015739919 640985830 /nfs/dbraw/zinc/98/58/30/640985830.db2.gz JQAIQTKHPYOHJG-QGZVFWFLSA-N 1 1 284.403 3.100 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1 ZINC001015795224 640986965 /nfs/dbraw/zinc/98/69/65/640986965.db2.gz TXUPWFWUIDTISC-DAYGRLMNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1 ZINC001015795400 640987218 /nfs/dbraw/zinc/98/72/18/640987218.db2.gz VYKCVWVOFSPPDW-MPGHIAIKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2(C3CCCCC3)CC2)C1 ZINC001016115702 640992152 /nfs/dbraw/zinc/99/21/52/640992152.db2.gz ZLEPNSVOASKBMW-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)=C1CCC1 ZINC001017541478 641013761 /nfs/dbraw/zinc/01/37/61/641013761.db2.gz ZOMMAVYBSHHINW-CALCHBBNSA-N 1 1 288.435 3.128 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)CC(C)(C)C ZINC001155439435 805582298 /nfs/dbraw/zinc/58/22/98/805582298.db2.gz OMFOQXKIWWJQQA-HZPDHXFCSA-N 1 1 294.483 3.299 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)CCCCCC ZINC001155924889 805626893 /nfs/dbraw/zinc/62/68/93/805626893.db2.gz WXBJGGGWKNUFTQ-IAGOWNOFSA-N 1 1 294.483 3.443 20 30 CGEDMO C=CCCCc1[nH]c2cc3c(cc2[nH+]1)OCCCO3 ZINC001250600441 805718171 /nfs/dbraw/zinc/71/81/71/805718171.db2.gz SPPAHWONIBIITC-UHFFFAOYSA-N 1 1 258.321 3.233 20 30 CGEDMO Cc1cc(C#N)c(NCCC[N@@H+]2CCCC[C@@H]2C)nc1C ZINC001156927486 805754335 /nfs/dbraw/zinc/75/43/35/805754335.db2.gz AALJARNAEHQWPS-AWEZNQCLSA-N 1 1 286.423 3.247 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccc(Cl)o1 ZINC001157529360 805827047 /nfs/dbraw/zinc/82/70/47/805827047.db2.gz YWRZJPMJYOHFHJ-GFCCVEGCSA-N 1 1 296.798 3.046 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)CC ZINC001157546057 805831756 /nfs/dbraw/zinc/83/17/56/805831756.db2.gz PTCAUAGWCNVCFR-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCCCF ZINC001157706366 805854674 /nfs/dbraw/zinc/85/46/74/805854674.db2.gz ZOACBDLXXBIQTP-MRXNPFEDSA-N 1 1 298.446 3.405 20 30 CGEDMO C[NH+](C)Cc1ccc2nc(-c3cc(F)ccc3C#N)[nH]c2c1 ZINC001251229731 805867900 /nfs/dbraw/zinc/86/79/00/805867900.db2.gz QUTUGIPEEJFLFN-UHFFFAOYSA-N 1 1 294.333 3.302 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](CC)SC ZINC001157807489 805875981 /nfs/dbraw/zinc/87/59/81/805875981.db2.gz SZMVYUGHLHHQHL-HUUCEWRRSA-N 1 1 298.496 3.017 20 30 CGEDMO Cc1ccc(CC#N)c(N[C@H]2CCCc3cccnc32)[nH+]1 ZINC001157847818 805886774 /nfs/dbraw/zinc/88/67/74/805886774.db2.gz QWLCXBPOSYPNPR-HNNXBMFYSA-N 1 1 278.359 3.341 20 30 CGEDMO C#CCCCC(=O)N1CCCC[C@@H]1C[N@H+](C)CCC(C)C ZINC001157908727 805902565 /nfs/dbraw/zinc/90/25/65/805902565.db2.gz ZGMGBPDVEWUUJF-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO CC(C)c1cc(CNc2[nH+]ccc3[nH]cc(C#N)c32)on1 ZINC001157992817 805911608 /nfs/dbraw/zinc/91/16/08/805911608.db2.gz IOKOYENARHXKLS-UHFFFAOYSA-N 1 1 281.319 3.158 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC(C)(C)CC ZINC001157999352 805912264 /nfs/dbraw/zinc/91/22/64/805912264.db2.gz GFMAHYBGMVWRQF-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CC1 ZINC001158370191 805946400 /nfs/dbraw/zinc/94/64/00/805946400.db2.gz QWVJWUMIJYGRLD-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCCF ZINC001158376878 805947864 /nfs/dbraw/zinc/94/78/64/805947864.db2.gz DMSWQXKWTUQMTK-JKSUJKDBSA-N 1 1 298.446 3.261 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](CC)CCC ZINC001158673272 805982232 /nfs/dbraw/zinc/98/22/32/805982232.db2.gz ITKQWFODFILBPG-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1C[C@H](C)N(C)C[C@H]1C ZINC001252127054 806013834 /nfs/dbraw/zinc/01/38/34/806013834.db2.gz WDNIJDOUBRVIAI-BBWFWOEESA-N 1 1 284.488 3.122 20 30 CGEDMO CCCCCCCC[C@H](O)CN1C[C@H](C)[N@H+](C)C[C@H]1C ZINC001252127054 806013836 /nfs/dbraw/zinc/01/38/36/806013836.db2.gz WDNIJDOUBRVIAI-BBWFWOEESA-N 1 1 284.488 3.122 20 30 CGEDMO CCCCCCCC[C@H](O)CN1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC001252127054 806013846 /nfs/dbraw/zinc/01/38/46/806013846.db2.gz WDNIJDOUBRVIAI-BBWFWOEESA-N 1 1 284.488 3.122 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CC[C@@H](N2CCCC2)C1 ZINC001252129799 806015617 /nfs/dbraw/zinc/01/56/17/806015617.db2.gz DTCMORZCIKHXGD-MSOLQXFVSA-N 1 1 296.499 3.268 20 30 CGEDMO CCCCCCCC[C@H](O)CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC001252129799 806015626 /nfs/dbraw/zinc/01/56/26/806015626.db2.gz DTCMORZCIKHXGD-MSOLQXFVSA-N 1 1 296.499 3.268 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+](C)Cc1cc(C)nn1C ZINC001252128614 806016007 /nfs/dbraw/zinc/01/60/07/806016007.db2.gz PFSIJUBIYJXCJW-KRWDZBQOSA-N 1 1 295.471 3.272 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCc2[nH]ccc2C1 ZINC001252132263 806018542 /nfs/dbraw/zinc/01/85/42/806018542.db2.gz DCAJYDZFKIVPQY-MRXNPFEDSA-N 1 1 278.440 3.484 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)C2CCCC2)CC1 ZINC001159106733 806042804 /nfs/dbraw/zinc/04/28/04/806042804.db2.gz PGVOMUZZZXDPMA-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)c2ccccc2C)CC1 ZINC001159124344 806046442 /nfs/dbraw/zinc/04/64/42/806046442.db2.gz MWEMQVILDPVCHS-UHFFFAOYSA-N 1 1 298.430 3.323 20 30 CGEDMO C=CCOC[C@H](O)C[N@H+](C)[C@H](C)c1cccc2ccccc21 ZINC001252473410 806048674 /nfs/dbraw/zinc/04/86/74/806048674.db2.gz KTBTUTPXOIMPMZ-NVXWUHKLSA-N 1 1 299.414 3.396 20 30 CGEDMO N#Cc1c2ccccc2sc1NC=C1CC[NH2+]CC1 ZINC001159248559 806064803 /nfs/dbraw/zinc/06/48/03/806064803.db2.gz IGERGDNNWDQAEW-UHFFFAOYSA-N 1 1 269.373 3.452 20 30 CGEDMO C=C[C@@](C)(O)C[N@@H+](Cc1ccccc1)C1CCSCC1 ZINC001252556791 806064790 /nfs/dbraw/zinc/06/47/90/806064790.db2.gz JICUPILGZNVXHH-QGZVFWFLSA-N 1 1 291.460 3.321 20 30 CGEDMO C=C[C@](C)(O)C[N@@H+](CC)Cc1ccc(Br)cc1 ZINC001252556455 806065125 /nfs/dbraw/zinc/06/51/25/806065125.db2.gz CEHRZAJBUUADHU-AWEZNQCLSA-N 1 1 298.224 3.208 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC001252559517 806065529 /nfs/dbraw/zinc/06/55/29/806065529.db2.gz YGBKDSYBTMIQBE-CQSZACIVSA-N 1 1 285.309 3.001 20 30 CGEDMO C=C[C@](C)(O)C[N@H+](C)[C@H](C)c1ccccc1Cl ZINC001252559150 806066314 /nfs/dbraw/zinc/06/63/14/806066314.db2.gz RNHSVLPMEJLABJ-RISCZKNCSA-N 1 1 253.773 3.270 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCc2c3ccccc3oc2C1 ZINC001252602172 806080870 /nfs/dbraw/zinc/08/08/70/806080870.db2.gz NRAOHXKTOKUZIT-ZDUSSCGKSA-N 1 1 271.360 3.118 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCc2c3ccccc3oc2C1 ZINC001252602172 806080877 /nfs/dbraw/zinc/08/08/77/806080877.db2.gz NRAOHXKTOKUZIT-ZDUSSCGKSA-N 1 1 271.360 3.118 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1c1cc(F)cc(F)c1 ZINC001252604674 806083184 /nfs/dbraw/zinc/08/31/84/806083184.db2.gz WXTXPTZEJXXAAR-JKSUJKDBSA-N 1 1 281.346 3.429 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)C2CCCCCC2)CC1 ZINC001159538999 806118665 /nfs/dbraw/zinc/11/86/65/806118665.db2.gz WRMGMNPFOKXXRB-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CCCC(=O)NCCC1=CC[N@@H+](CCCCCF)CC1 ZINC001159544601 806119985 /nfs/dbraw/zinc/11/99/85/806119985.db2.gz UVJRCXCMSYRHFG-UHFFFAOYSA-N 1 1 296.430 3.231 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)C[C@@H](C)C(C)C)CC1 ZINC001159549903 806121374 /nfs/dbraw/zinc/12/13/74/806121374.db2.gz LBRBAEYPXLWKTC-MRXNPFEDSA-N 1 1 292.467 3.383 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[N@@H+]1CCO[C@H]2C[C@H]21 ZINC001252982997 806146603 /nfs/dbraw/zinc/14/66/03/806146603.db2.gz PIDDGCCRZCDDOB-BBWFWOEESA-N 1 1 283.456 3.351 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[N@H+]1CCO[C@H]2C[C@H]21 ZINC001252982997 806146610 /nfs/dbraw/zinc/14/66/10/806146610.db2.gz PIDDGCCRZCDDOB-BBWFWOEESA-N 1 1 283.456 3.351 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[N@@H+]1CCC12COC2 ZINC001252984599 806146842 /nfs/dbraw/zinc/14/68/42/806146842.db2.gz KFAFORSALDWYBR-MRXNPFEDSA-N 1 1 283.456 3.353 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[N@H+]1CCC12COC2 ZINC001252984599 806146849 /nfs/dbraw/zinc/14/68/49/806146849.db2.gz KFAFORSALDWYBR-MRXNPFEDSA-N 1 1 283.456 3.353 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)/C(C)=C/C)CC1 ZINC001159760106 806166626 /nfs/dbraw/zinc/16/66/26/806166626.db2.gz LFCFUFAGORRCKY-PJQLUOCWSA-N 1 1 276.424 3.057 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@H](C)C2CC2)CC1 ZINC001159733217 806163510 /nfs/dbraw/zinc/16/35/10/806163510.db2.gz TXLPWSFRUODQAR-OAHLLOKOSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+](C)Cc1c(C)n[nH]c1C ZINC001253238031 806188452 /nfs/dbraw/zinc/18/84/52/806188452.db2.gz ALPNIJGERGDJBV-MRXNPFEDSA-N 1 1 293.455 3.346 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+](CC)C1CCN(C)CC1 ZINC001253239560 806189779 /nfs/dbraw/zinc/18/97/79/806189779.db2.gz NQRGBLNNGDBMFA-SFHVURJKSA-N 1 1 296.499 3.290 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCC[C@]12CCOC2 ZINC001253240277 806190178 /nfs/dbraw/zinc/19/01/78/806190178.db2.gz IPEWTLIDLNRQGC-DLBZAZTESA-N 1 1 281.440 3.129 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1CC[C@@H](N(C)C2CC2)C1 ZINC001253242831 806191734 /nfs/dbraw/zinc/19/17/34/806191734.db2.gz OVGORTYKTDKZPI-QZTJIDSGSA-N 1 1 294.483 3.042 20 30 CGEDMO C=CCCCCCC[C@@H](O)CN1CC[C@@H]([N@H+](C)C2CC2)C1 ZINC001253242831 806191737 /nfs/dbraw/zinc/19/17/37/806191737.db2.gz OVGORTYKTDKZPI-QZTJIDSGSA-N 1 1 294.483 3.042 20 30 CGEDMO C=CCCCCCC[C@@H](O)CN1CC[C@@H]([N@@H+](C)C2CC2)C1 ZINC001253242831 806191741 /nfs/dbraw/zinc/19/17/41/806191741.db2.gz OVGORTYKTDKZPI-QZTJIDSGSA-N 1 1 294.483 3.042 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1CC[C@@H](OC)C[C@H]1C ZINC001253241762 806192340 /nfs/dbraw/zinc/19/23/40/806192340.db2.gz DABRAVVDNPUZHM-BRWVUGGUSA-N 1 1 283.456 3.373 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@@H]1C(C)(C)O ZINC001253241700 806192742 /nfs/dbraw/zinc/19/27/42/806192742.db2.gz ZROMUEQAIRUACP-HZPDHXFCSA-N 1 1 283.456 3.109 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)C2=CCCCCC2)CC1 ZINC001159922859 806201058 /nfs/dbraw/zinc/20/10/58/806201058.db2.gz RSVSGZRNUUMSOQ-UHFFFAOYSA-N 1 1 288.435 3.201 20 30 CGEDMO C=C(C)CCC(=O)NCCC1=CC[N@@H+](C[C@H](F)CC)CC1 ZINC001160264234 806245360 /nfs/dbraw/zinc/24/53/60/806245360.db2.gz JWXNTKSAOAYUJV-MRXNPFEDSA-N 1 1 296.430 3.229 20 30 CGEDMO C=C[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC001253582594 806263098 /nfs/dbraw/zinc/26/30/98/806263098.db2.gz QOJPPGXQETZVTF-ZIAGYGMSSA-N 1 1 251.757 3.024 20 30 CGEDMO C=CCCCC[N@H+](C)C[C@H](O)COc1ccc(C)cc1 ZINC001253827904 806314577 /nfs/dbraw/zinc/31/45/77/806314577.db2.gz MYWMRCJJRHSNFA-INIZCTEOSA-N 1 1 277.408 3.023 20 30 CGEDMO Cc1ccc2cc[nH+]c(NCc3cncc(C#N)c3)c2c1 ZINC001160992316 806333679 /nfs/dbraw/zinc/33/36/79/806333679.db2.gz JPFNYHKYPMELRX-UHFFFAOYSA-N 1 1 274.327 3.422 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001161035817 806340468 /nfs/dbraw/zinc/34/04/68/806340468.db2.gz BKORYASAHBZQNS-NVXWUHKLSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)[C@H]2CCCC[C@H]2C)CC1 ZINC001161044562 806342462 /nfs/dbraw/zinc/34/24/62/806342462.db2.gz NCOYPEDOAYEKKE-WBVHZDCISA-N 1 1 290.451 3.137 20 30 CGEDMO CC[C@H](CC#N)Nc1nc(Cl)ccc1C[NH+]1CCCC1 ZINC001161052661 806343731 /nfs/dbraw/zinc/34/37/31/806343731.db2.gz HZJLSFORFKWWDZ-CYBMUJFWSA-N 1 1 292.814 3.435 20 30 CGEDMO CCCCCCCCc1cn(-c2cc[nH+]c(CO)c2)nn1 ZINC001254134068 806349762 /nfs/dbraw/zinc/34/97/62/806349762.db2.gz GUDZMJNWSPUHPK-UHFFFAOYSA-N 1 1 288.395 3.058 20 30 CGEDMO CC[N@H+](CCC#N)[C@H]1Cc2ccc(Br)cc2C1 ZINC001254280231 806377634 /nfs/dbraw/zinc/37/76/34/806377634.db2.gz HDYWFYUWCADEAZ-AWEZNQCLSA-N 1 1 293.208 3.152 20 30 CGEDMO CC[N@@H+](CCC#N)[C@H]1Cc2ccc(Br)cc2C1 ZINC001254280231 806377640 /nfs/dbraw/zinc/37/76/40/806377640.db2.gz HDYWFYUWCADEAZ-AWEZNQCLSA-N 1 1 293.208 3.152 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)c2cccc(C)c2C)CC1 ZINC001161805499 806457535 /nfs/dbraw/zinc/45/75/35/806457535.db2.gz LCWQREJIZMWYDF-UHFFFAOYSA-N 1 1 298.430 3.241 20 30 CGEDMO C=CCCCC[N@H+](C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254608637 806460320 /nfs/dbraw/zinc/46/03/20/806460320.db2.gz ROIORTMBNKZREL-INIZCTEOSA-N 1 1 274.364 3.350 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](C/C(C)=C\c2ccccc2)C1 ZINC001254645056 806470129 /nfs/dbraw/zinc/47/01/29/806470129.db2.gz FCAOGEZBANYHQU-KSVUCXBSSA-N 1 1 257.377 3.367 20 30 CGEDMO N#C[C@@H]1CC[C@H]([NH2+]Cc2c(F)cccc2Br)C1 ZINC001254658377 806477613 /nfs/dbraw/zinc/47/76/13/806477613.db2.gz VHMWYEWVXDUNSO-ZJUUUORDSA-N 1 1 297.171 3.370 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3OCC2CC2)C1 ZINC001254665911 806479618 /nfs/dbraw/zinc/47/96/18/806479618.db2.gz RKQZZLQOHCZYMP-DFBDCSAJSA-N 1 1 288.435 3.206 20 30 CGEDMO C[C@H]1C[N@H+]([C@H]2CC[C@H](C#N)C2)[C@@H](c2ccccc2)CO1 ZINC001254676278 806482760 /nfs/dbraw/zinc/48/27/60/806482760.db2.gz JVZLMEHLNWQBPC-NXNVCVFFSA-N 1 1 270.376 3.141 20 30 CGEDMO C[C@H]1C[N@@H+]([C@H]2CC[C@H](C#N)C2)[C@@H](c2ccccc2)CO1 ZINC001254676278 806482764 /nfs/dbraw/zinc/48/27/64/806482764.db2.gz JVZLMEHLNWQBPC-NXNVCVFFSA-N 1 1 270.376 3.141 20 30 CGEDMO COc1cccc([C@@H]2CC[N@H+]([C@H]3CC[C@@H](C#N)C3)C2)c1 ZINC001254675955 806483071 /nfs/dbraw/zinc/48/30/71/806483071.db2.gz HDNAKYWSPADOAJ-BMFZPTHFSA-N 1 1 270.376 3.177 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)C[C@H](C)C2CC2)CC1 ZINC001161958786 806491183 /nfs/dbraw/zinc/49/11/83/806491183.db2.gz BDJDTLWZLNPTPP-HNNXBMFYSA-N 1 1 290.451 3.137 20 30 CGEDMO N#C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC001255098437 806543345 /nfs/dbraw/zinc/54/33/45/806543345.db2.gz PUJFJGWXUQJPGS-OALUTQOASA-N 1 1 291.398 3.115 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1cccc(OC)c1C(F)(F)F ZINC001255155250 806556463 /nfs/dbraw/zinc/55/64/63/806556463.db2.gz NBQLHHZRGKPFFC-NSHDSACASA-N 1 1 286.297 3.496 20 30 CGEDMO CC[C@@H](CC#N)[NH2+][C@@H](c1cncc(Cl)c1)C1CC1 ZINC001255161959 806559303 /nfs/dbraw/zinc/55/93/03/806559303.db2.gz DERSAUUPASHWCT-UONOGXRCSA-N 1 1 263.772 3.468 20 30 CGEDMO CC[C@@H](CC#N)[N@H+](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001255167246 806565004 /nfs/dbraw/zinc/56/50/04/806565004.db2.gz WMFVUUVKLBSIOQ-KBPBESRZSA-N 1 1 295.427 3.010 20 30 CGEDMO CC[C@@H](CC#N)[N@@H+](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001255167246 806565010 /nfs/dbraw/zinc/56/50/10/806565010.db2.gz WMFVUUVKLBSIOQ-KBPBESRZSA-N 1 1 295.427 3.010 20 30 CGEDMO CC[C@@H](CC#N)[N@@H+]1CCC[C@H](Sc2ccncc2)C1 ZINC001255173687 806567394 /nfs/dbraw/zinc/56/73/94/806567394.db2.gz OGKGLMFBHBCUID-ZFWWWQNUSA-N 1 1 275.421 3.330 20 30 CGEDMO CC[C@@H](CC#N)[N@H+]1CCC[C@H](Sc2ccncc2)C1 ZINC001255173687 806567403 /nfs/dbraw/zinc/56/74/03/806567403.db2.gz OGKGLMFBHBCUID-ZFWWWQNUSA-N 1 1 275.421 3.330 20 30 CGEDMO CC[C@H](CC#N)[N@@H+]1CCC[C@@H](OCc2ccccc2)C1 ZINC001255175220 806568478 /nfs/dbraw/zinc/56/84/78/806568478.db2.gz NVEBOVRASOMRCL-IAGOWNOFSA-N 1 1 272.392 3.360 20 30 CGEDMO CC[C@H](CC#N)[N@H+]1CCC[C@@H](OCc2ccccc2)C1 ZINC001255175220 806568488 /nfs/dbraw/zinc/56/84/88/806568488.db2.gz NVEBOVRASOMRCL-IAGOWNOFSA-N 1 1 272.392 3.360 20 30 CGEDMO CC[C@H](CC#N)[N@@H+]1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC001255180256 806572218 /nfs/dbraw/zinc/57/22/18/806572218.db2.gz ZGJZSRIULKINKT-ZIAGYGMSSA-N 1 1 295.427 3.010 20 30 CGEDMO CC[C@H](CC#N)[N@H+]1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC001255180256 806572222 /nfs/dbraw/zinc/57/22/22/806572222.db2.gz ZGJZSRIULKINKT-ZIAGYGMSSA-N 1 1 295.427 3.010 20 30 CGEDMO C=CCc1cc(C)c[nH+]c1NCCc1cccc(OC)n1 ZINC001162743864 806656304 /nfs/dbraw/zinc/65/63/04/806656304.db2.gz QZAKCVSCPZSPLM-UHFFFAOYSA-N 1 1 283.375 3.177 20 30 CGEDMO CC(C)[C@@H](C)[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC000036787281 798851328 /nfs/dbraw/zinc/85/13/28/798851328.db2.gz OEIRSFVVIRZRNL-CQSZACIVSA-N 1 1 260.381 3.303 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](Nc2ncc(C#N)cc2Cl)[C@@H](C)C1 ZINC001163362039 806747450 /nfs/dbraw/zinc/74/74/50/806747450.db2.gz LYPVFHOYPQKFJJ-SMDDNHRTSA-N 1 1 292.814 3.137 20 30 CGEDMO CC[C@H](CC#N)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000390714575 799472779 /nfs/dbraw/zinc/47/27/79/799472779.db2.gz BTLNTBLQTYEVEH-ZWKOTPCHSA-N 1 1 285.435 3.180 20 30 CGEDMO CO[C@@H]1CC[C@@H](C)[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000687219437 799737656 /nfs/dbraw/zinc/73/76/56/799737656.db2.gz QELXJNKMHCCESK-ZIAGYGMSSA-N 1 1 252.402 3.206 20 30 CGEDMO C[N@@H+](CCCC1CCC1)C[C@@H](O)c1cccc(C#N)c1 ZINC000701505384 799890269 /nfs/dbraw/zinc/89/02/69/799890269.db2.gz GRCZYJJMRCBNKZ-QGZVFWFLSA-N 1 1 272.392 3.104 20 30 CGEDMO C[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000708718227 799993333 /nfs/dbraw/zinc/99/33/33/799993333.db2.gz FPNHWAYPVVLHHK-ZDUSSCGKSA-N 1 1 268.282 3.333 20 30 CGEDMO C=CCC1(NC(=O)NCC[N@@H+]2CCC[C@@H]2C)CCCCC1 ZINC001256032986 806806129 /nfs/dbraw/zinc/80/61/29/806806129.db2.gz RJCMYYHJYRDBAO-HNNXBMFYSA-N 1 1 293.455 3.049 20 30 CGEDMO CC[C@H](CC#N)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000716624557 800177197 /nfs/dbraw/zinc/17/71/97/800177197.db2.gz IHLVLWWNHDNZAM-RDGPPVDQSA-N 1 1 297.446 3.321 20 30 CGEDMO CC(C)[N@@H+](Cc1cccs1)Cc1cncc(C#N)c1 ZINC000721559593 800294170 /nfs/dbraw/zinc/29/41/70/800294170.db2.gz NVNKROUHFDDKHE-UHFFFAOYSA-N 1 1 271.389 3.425 20 30 CGEDMO Cc1ccc(CC#N)c(N2CC[C@H](F)C(F)(F)CC2)[nH+]1 ZINC001163784928 806827612 /nfs/dbraw/zinc/82/76/12/806827612.db2.gz QXNNNTDGUMGKDV-LBPRGKRZSA-N 1 1 283.297 3.030 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H]2c2cccn2C)cc1 ZINC000809540088 800443854 /nfs/dbraw/zinc/44/38/54/800443854.db2.gz JYFBGJIEPYPTJN-SFHVURJKSA-N 1 1 264.372 3.344 20 30 CGEDMO CCCCCCCC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000837184358 800490394 /nfs/dbraw/zinc/49/03/94/800490394.db2.gz HCLDBLYUDGVXRV-OAHLLOKOSA-N 1 1 268.445 3.288 20 30 CGEDMO CCCCCC[N@H+](Cc1ccc(C)o1)C[C@H](O)CC#N ZINC000932302709 800656508 /nfs/dbraw/zinc/65/65/08/800656508.db2.gz SQRXZNBENHITTA-OAHLLOKOSA-N 1 1 278.396 3.245 20 30 CGEDMO C#CC[N@@H+](Cc1cccc(C(=O)C(F)(F)F)c1)C(C)C ZINC000932386869 800663968 /nfs/dbraw/zinc/66/39/68/800663968.db2.gz BVLPWAFOTGCIDJ-UHFFFAOYSA-N 1 1 283.293 3.275 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1cnn(Cc2ccccc2)c1 ZINC000934459826 800678706 /nfs/dbraw/zinc/67/87/06/800678706.db2.gz HFBUDOITNVPOST-KRWDZBQOSA-N 1 1 267.376 3.082 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)c(C)o2)[C@@H]1C ZINC000993206461 800694774 /nfs/dbraw/zinc/69/47/74/800694774.db2.gz JKZWSZMAFAMJHJ-DZGCQCFKSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC3(C)C)CCC[C@@H]12 ZINC000992130811 800695081 /nfs/dbraw/zinc/69/50/81/800695081.db2.gz LXAZTOVAJZGLSD-HDMKZQKVSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCC)C1 ZINC001021500362 800702077 /nfs/dbraw/zinc/70/20/77/800702077.db2.gz WLBJYTQLDVDSNF-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)C1CCCC1 ZINC001024298912 800723062 /nfs/dbraw/zinc/72/30/62/800723062.db2.gz GNUOXZSJVDAUDY-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(Cl)o1 ZINC001024333757 800726831 /nfs/dbraw/zinc/72/68/31/800726831.db2.gz UBSGOTPCENXWBN-GFCCVEGCSA-N 1 1 296.798 3.093 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccsc1C ZINC001024433892 800728274 /nfs/dbraw/zinc/72/82/74/800728274.db2.gz PPJXTHZIIWWZIT-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC12CC2 ZINC001024504884 800730547 /nfs/dbraw/zinc/73/05/47/800730547.db2.gz RNFYFAGNHHFXML-HOTGVXAUSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CCC(F)CC1 ZINC001024638624 800733030 /nfs/dbraw/zinc/73/30/30/800733030.db2.gz WHUZPDBIGICOPK-UYSNPLJNSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1Cl ZINC001024768517 800735860 /nfs/dbraw/zinc/73/58/60/800735860.db2.gz SDPLRXQYFHGXDS-ZDUSSCGKSA-N 1 1 292.810 3.110 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(CC)cc1 ZINC001024786942 800737191 /nfs/dbraw/zinc/73/71/91/800737191.db2.gz VMVIXDJLHLEJGL-QGZVFWFLSA-N 1 1 286.419 3.019 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C1=CCCC1 ZINC001025220599 800750562 /nfs/dbraw/zinc/75/05/62/800750562.db2.gz IANTZPOJWRGTHD-IRXDYDNUSA-N 1 1 288.435 3.128 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCCC[C@H]1[C@@H]1CCC[N@@H+]1CC ZINC001025259774 800751692 /nfs/dbraw/zinc/75/16/92/800751692.db2.gz SSSUAPXMJRUWRN-HOTGVXAUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1CC ZINC001025259776 800752360 /nfs/dbraw/zinc/75/23/60/800752360.db2.gz SSSUAPXMJRUWRN-JKSUJKDBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(C)s2)C1 ZINC001025327343 800756906 /nfs/dbraw/zinc/75/69/06/800756906.db2.gz WNWALZSEJLQLCX-ZIAGYGMSSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccsc2C)C1 ZINC001025415993 800761368 /nfs/dbraw/zinc/76/13/68/800761368.db2.gz XGZCREJFJSLTIW-TZMCWYRMSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(C)s2)C1 ZINC001027276587 800787883 /nfs/dbraw/zinc/78/78/83/800787883.db2.gz LMVRUACNGPEYRC-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)C(CC)CC)C1 ZINC001027300952 800789824 /nfs/dbraw/zinc/78/98/24/800789824.db2.gz CVAKETSQBKVVAP-AWEZNQCLSA-N 1 1 286.847 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)C(CC)CC)C1 ZINC001027300952 800789829 /nfs/dbraw/zinc/78/98/29/800789829.db2.gz CVAKETSQBKVVAP-AWEZNQCLSA-N 1 1 286.847 3.098 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)C2CCCC2)C1 ZINC001027444650 800796969 /nfs/dbraw/zinc/79/69/69/800796969.db2.gz WJQCNHPIIGWFNS-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]([N@@H+](C)CCC2CC2)C1 ZINC001027519608 800799441 /nfs/dbraw/zinc/79/94/41/800799441.db2.gz QZUOQQZMEZJMBD-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)C2(CC)CCC2)C1 ZINC001027534121 800801579 /nfs/dbraw/zinc/80/15/79/800801579.db2.gz RSQCPLXTCVIFPB-AWEZNQCLSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)C2(CC)CCC2)C1 ZINC001027534121 800801586 /nfs/dbraw/zinc/80/15/86/800801586.db2.gz RSQCPLXTCVIFPB-AWEZNQCLSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@H]([N@@H+](C)CC(=C)C)C1 ZINC001027559960 800804447 /nfs/dbraw/zinc/80/44/47/800804447.db2.gz LKSGFXWVMPBGEG-DOTOQJQBSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2c(C)cccc2C)C1 ZINC001027590100 800805665 /nfs/dbraw/zinc/80/56/65/800805665.db2.gz ROEIPOUVTWPODQ-INIZCTEOSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(CC)CC)C1 ZINC001027687563 800812061 /nfs/dbraw/zinc/81/20/61/800812061.db2.gz PYIGOBZODURABJ-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(C)cs1 ZINC001027874548 800824080 /nfs/dbraw/zinc/82/40/80/800824080.db2.gz OBEJYBMPCQIUIS-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccoc1CC ZINC001027856494 800824579 /nfs/dbraw/zinc/82/45/79/800824579.db2.gz OPYNOJLOEZGFJR-CQSZACIVSA-N 1 1 290.407 3.002 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(C)oc2ccccc21 ZINC001027902773 800825895 /nfs/dbraw/zinc/82/58/95/800825895.db2.gz VURMIKYFURXZOK-CQSZACIVSA-N 1 1 298.386 3.121 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2occc2c1 ZINC001027899476 800826562 /nfs/dbraw/zinc/82/65/62/800826562.db2.gz JYIYCYUZVBVXTK-INIZCTEOSA-N 1 1 298.386 3.203 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C)sc1C ZINC001028009203 800828548 /nfs/dbraw/zinc/82/85/48/800828548.db2.gz JQAQILVDQCUURC-CQSZACIVSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)cc1Cl ZINC001028155121 800834367 /nfs/dbraw/zinc/83/43/67/800834367.db2.gz XSZAZWRNHPVINE-CYBMUJFWSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001028223238 800835365 /nfs/dbraw/zinc/83/53/65/800835365.db2.gz CZPLIKZTFQURFB-BRWVUGGUSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(Cl)c1 ZINC001028281657 800839875 /nfs/dbraw/zinc/83/98/75/800839875.db2.gz NVXSZXLARAMECL-OAHLLOKOSA-N 1 1 292.810 3.110 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H]1CNC(=O)c1cccc(C2CC2)c1 ZINC001028339369 800841858 /nfs/dbraw/zinc/84/18/58/800841858.db2.gz TWNWWCLDUQVDDP-SFHVURJKSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001028784449 800852267 /nfs/dbraw/zinc/85/22/67/800852267.db2.gz YPISBWYSKWVPIU-ZIAGYGMSSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001028784449 800852270 /nfs/dbraw/zinc/85/22/70/800852270.db2.gz YPISBWYSKWVPIU-ZIAGYGMSSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C1CCC(C(=O)NC[C@H]2CC[N@H+](C[C@H](C)CC)C2)CC1 ZINC001028779131 800852411 /nfs/dbraw/zinc/85/24/11/800852411.db2.gz VLIZYPJGWQWRQM-GDBMZVCRSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](CNC(=O)c2cc3ccccc3o2)C1 ZINC001028972196 800856642 /nfs/dbraw/zinc/85/66/42/800856642.db2.gz DWMYZXXQGPVFRP-CQSZACIVSA-N 1 1 298.386 3.061 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](C)F ZINC001029453781 800868854 /nfs/dbraw/zinc/86/88/54/800868854.db2.gz KRQANSOEFIPPLK-LJIGWXMPSA-N 1 1 296.430 3.012 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C1CCC1 ZINC001032543508 800930138 /nfs/dbraw/zinc/93/01/38/800930138.db2.gz AMMADSDJVHJBIO-HOTGVXAUSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC(C)(C)C ZINC001032606443 800932164 /nfs/dbraw/zinc/93/21/64/800932164.db2.gz UIEPGYBJUGRKQE-RLFYNMQTSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)CC2CCCC2)C1 ZINC001032877339 800942883 /nfs/dbraw/zinc/94/28/83/800942883.db2.gz PPRXEDDJRXBBPK-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2occc2C(C)C)C1 ZINC001033352095 800961479 /nfs/dbraw/zinc/96/14/79/800961479.db2.gz ABHSNHVWUWPEDN-CQSZACIVSA-N 1 1 290.407 3.125 20 30 CGEDMO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CC[C@@H](C)F)C2)CC1 ZINC001033389620 800961853 /nfs/dbraw/zinc/96/18/53/800961853.db2.gz RZDIJBOAQJMWPL-GDBMZVCRSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)CC2CCCCCC2)C1 ZINC001033460017 800966926 /nfs/dbraw/zinc/96/69/26/800966926.db2.gz KBVFYNWJSIHWJZ-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C)cc(C)c2)C1 ZINC001033618281 800971969 /nfs/dbraw/zinc/97/19/69/800971969.db2.gz VJYUCUDHXNICHP-KRWDZBQOSA-N 1 1 286.419 3.026 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3cc(C)ccc3o2)C1 ZINC001033684775 800973976 /nfs/dbraw/zinc/97/39/76/800973976.db2.gz QGXVZTKKKWLBEE-OAHLLOKOSA-N 1 1 298.386 3.074 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2sccc2C)C1 ZINC001033733467 800979489 /nfs/dbraw/zinc/97/94/89/800979489.db2.gz ZITLJZIFJULUSY-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2c(C)coc2C)C1 ZINC001033815405 800984531 /nfs/dbraw/zinc/98/45/31/800984531.db2.gz CWFPHTUJMOTMFX-HNNXBMFYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(C)cs2)C1 ZINC001033829454 800986164 /nfs/dbraw/zinc/98/61/64/800986164.db2.gz JQIYQOFHMRJRRS-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)C2CCC(F)CC2)C1 ZINC001033943407 800990691 /nfs/dbraw/zinc/99/06/91/800990691.db2.gz MHDNGDQCMCWFPH-GPANFISMSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)C2CCC(F)CC2)C1 ZINC001033939900 800991619 /nfs/dbraw/zinc/99/16/19/800991619.db2.gz AZUXGHQGSIVPFZ-UYSNPLJNSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2csc(Cl)c2)C1 ZINC001033979095 800992736 /nfs/dbraw/zinc/99/27/36/800992736.db2.gz DFVKJACXAJUIDN-LBPRGKRZSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(C3CC3)cc2)C1 ZINC001034046955 800996168 /nfs/dbraw/zinc/99/61/68/800996168.db2.gz WMODFAOCBNAVRS-SFHVURJKSA-N 1 1 298.430 3.286 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2csc(C)c2C)C1 ZINC001034225130 801012159 /nfs/dbraw/zinc/01/21/59/801012159.db2.gz FBEVSMMSMBNAAB-CQSZACIVSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2csc(C)c2C)C1 ZINC001034225129 801013182 /nfs/dbraw/zinc/01/31/82/801013182.db2.gz FBEVSMMSMBNAAB-AWEZNQCLSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC23CC3)C1 ZINC001034271757 801014058 /nfs/dbraw/zinc/01/40/58/801014058.db2.gz IZFFMFFZMHLBEF-HOTGVXAUSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(CC)o2)C1 ZINC001034272760 801014976 /nfs/dbraw/zinc/01/49/76/801014976.db2.gz MVMDFJIEAFOXEQ-CQSZACIVSA-N 1 1 290.407 3.002 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@@]2(C)C=CCC2)C1 ZINC001034349061 801018362 /nfs/dbraw/zinc/01/83/62/801018362.db2.gz ICSQLXAWSAIZLY-AEFFLSMTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001034388592 801023223 /nfs/dbraw/zinc/02/32/23/801023223.db2.gz HQHFZDYQXAIJFZ-SOLBZPMBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@](C)(C=C)CC)CC2 ZINC001035222258 801055810 /nfs/dbraw/zinc/05/58/10/801055810.db2.gz BMDDTAAJDIMVMM-QGZVFWFLSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CC3CCCC3)CC[C@H]21 ZINC001036633204 801085388 /nfs/dbraw/zinc/08/53/88/801085388.db2.gz YPFLUSGVBQGFRO-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)C(C)C)CC[C@@H]21 ZINC001036724376 801089686 /nfs/dbraw/zinc/08/96/86/801089686.db2.gz FYTBYEQUCALTKK-HOTGVXAUSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CC3(C)CC3)CC[C@@H]21 ZINC001036776599 801089841 /nfs/dbraw/zinc/08/98/41/801089841.db2.gz NGMHXSQQEVSDHM-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCC(C)C)C1 ZINC001036789879 801089932 /nfs/dbraw/zinc/08/99/32/801089932.db2.gz ZBHZHGYEZKERHZ-CVEARBPZSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCC)C1 ZINC001036725993 801090540 /nfs/dbraw/zinc/09/05/40/801090540.db2.gz FYYFGRJLAIWOKU-UONOGXRCSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)C3(C)CCC3)CC[C@@H]21 ZINC001036792608 801091524 /nfs/dbraw/zinc/09/15/24/801091524.db2.gz RSMWPUYNWFKAFX-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC2(CC2)C1 ZINC001038246564 801123117 /nfs/dbraw/zinc/12/31/17/801123117.db2.gz NHAGKGROZIIIBZ-JKSUJKDBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001038287294 801123323 /nfs/dbraw/zinc/12/33/23/801123323.db2.gz KOZMESYZENUMOP-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC=CCCC1 ZINC001038402534 801125525 /nfs/dbraw/zinc/12/55/25/801125525.db2.gz NOWSUVZCEVMBSK-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1ccccc1C1CCC1 ZINC001038968694 801137643 /nfs/dbraw/zinc/13/76/43/801137643.db2.gz SYKGBVMRODVVKY-INIZCTEOSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC(C)(C)C1 ZINC001039053705 801142698 /nfs/dbraw/zinc/14/26/98/801142698.db2.gz LMHCTOOIHXEKDJ-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCCC1(C)C ZINC001039062133 801145145 /nfs/dbraw/zinc/14/51/45/801145145.db2.gz UWTIZTJQFCGZHE-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)/C(C)=C/C)CC2)C1 ZINC001039120486 801149548 /nfs/dbraw/zinc/14/95/48/801149548.db2.gz AYISBTLKDCINRX-GYKBNXPHSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CCCC1 ZINC001039316389 801156975 /nfs/dbraw/zinc/15/69/75/801156975.db2.gz WANLPUGBZRVFGB-SJORKVTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)=C1CCCC1 ZINC001039355447 801159985 /nfs/dbraw/zinc/15/99/85/801159985.db2.gz PYTSEJUPQBVDRF-SJORKVTESA-N 1 1 288.435 3.128 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC(C)(C)C1 ZINC001039431864 801162180 /nfs/dbraw/zinc/16/21/80/801162180.db2.gz WETUAOCUBBAMQQ-OAGGEKHMSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1CCC ZINC001039432005 801162498 /nfs/dbraw/zinc/16/24/98/801162498.db2.gz DOUYAZSRWRJXKG-WCXIOVBPSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C1CC(C)(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CC(C)C)C1 ZINC001039906066 801168489 /nfs/dbraw/zinc/16/84/89/801168489.db2.gz FBQSZXIZVKVKFL-IYBDPMFKSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC[C@]3(C2)CCC[N@H+](C(C)C)C3)C1 ZINC001040386076 801177600 /nfs/dbraw/zinc/17/76/00/801177600.db2.gz YDNQYNSJXGLKOY-GOSISDBHSA-N 1 1 290.451 3.066 20 30 CGEDMO C[C@@H](Cc1ccccn1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001256417046 806890403 /nfs/dbraw/zinc/89/04/03/806890403.db2.gz SDVMSLLLYRHPLJ-AWEZNQCLSA-N 1 1 265.360 3.016 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(CCN(C(=O)C(F)=C(C)C)C2)C1 ZINC001041193038 801188122 /nfs/dbraw/zinc/18/81/22/801188122.db2.gz CPSRXIRSUMPOJG-QGZVFWFLSA-N 1 1 294.414 3.140 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@@]2(CC[N@H+](C[C@@H](C)CC)C2)C1 ZINC001041541210 801189523 /nfs/dbraw/zinc/18/95/23/801189523.db2.gz VBMCCIPJTOAVJF-MAUKXSAKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccccc3C)C[C@@H]21 ZINC001041914231 801197304 /nfs/dbraw/zinc/19/73/04/801197304.db2.gz BKKHCHFMYKBKPP-WMZOPIPTSA-N 1 1 298.430 3.108 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cccc(C)c3)C[C@@H]21 ZINC001041912068 801197486 /nfs/dbraw/zinc/19/74/86/801197486.db2.gz FJDQUUSPGWEQPS-AEFFLSMTSA-N 1 1 298.430 3.108 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)CCC3CC3)C[C@@H]21 ZINC001041980867 801199330 /nfs/dbraw/zinc/19/93/30/801199330.db2.gz DITPUWUETQISSE-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C1CCC(C(=O)N2CC[C@@H]3CC[N@H+](CCC)[C@H]3C2)CC1 ZINC001042217230 801203629 /nfs/dbraw/zinc/20/36/29/801203629.db2.gz WDPQZRJZQYYRJZ-RDJZCZTQSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc(C)cc3)C[C@H]21 ZINC001042333465 801204404 /nfs/dbraw/zinc/20/44/04/801204404.db2.gz AXZRILGYKZSQET-SJLPKXTDSA-N 1 1 298.430 3.108 20 30 CGEDMO C=CCC[NH+]1CC(N(C)C(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1 ZINC001044008204 801228356 /nfs/dbraw/zinc/22/83/56/801228356.db2.gz WWISYBDFLLWXSB-KSSFIOAISA-N 1 1 292.467 3.168 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC ZINC001045840784 801288867 /nfs/dbraw/zinc/28/88/67/801288867.db2.gz PENJYURGPKOSNF-VYDXJSESSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(C)C ZINC001045840764 801289089 /nfs/dbraw/zinc/28/90/89/801289089.db2.gz NPHAKTQLUNTQPA-SOLBZPMBSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)C2CCCCCC2)C1 ZINC001046184109 801303497 /nfs/dbraw/zinc/30/34/97/801303497.db2.gz YDWHHVWLNYZMGQ-KRWDZBQOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2cc(C)ccc2C)C1 ZINC001046796718 801326813 /nfs/dbraw/zinc/32/68/13/801326813.db2.gz OHFCLMZYZCDASW-GOSISDBHSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001046861036 801331244 /nfs/dbraw/zinc/33/12/44/801331244.db2.gz RNSAXLCLCPDXBB-MAUKXSAKSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1C[C@@H]2C[N@H+](CCC(C)C)C[C@@H]2C1 ZINC001049035807 801354941 /nfs/dbraw/zinc/35/49/41/801354941.db2.gz OYZMPIDSNQQCSQ-SOLBZPMBSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CCCCCC1 ZINC001049372332 801369256 /nfs/dbraw/zinc/36/92/56/801369256.db2.gz IWSAALOMMSVDDC-DLBZAZTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC1CCC1 ZINC001049396411 801369505 /nfs/dbraw/zinc/36/95/05/801369505.db2.gz KYJCLDMTFKRWCE-IRXDYDNUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1=CCCC1 ZINC001049414216 801370701 /nfs/dbraw/zinc/37/07/01/801370701.db2.gz BVDREQFTUNFLBC-IAGOWNOFSA-N 1 1 288.435 3.128 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC(C)(C)C1CC1 ZINC001049456617 801374115 /nfs/dbraw/zinc/37/41/15/801374115.db2.gz NGAKRRZEKOIMLM-JKSUJKDBSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1(CC)CCC1 ZINC001049645088 801379516 /nfs/dbraw/zinc/37/95/16/801379516.db2.gz LUHKBQDDQANOMU-CVEARBPZSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1(CC)CC1 ZINC001049697096 801384541 /nfs/dbraw/zinc/38/45/41/801384541.db2.gz IJMSVYFIMAEQLH-HOTGVXAUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC(C)C ZINC001049699481 801385581 /nfs/dbraw/zinc/38/55/81/801385581.db2.gz HZQQVIDFGAGWNB-LZLYRXPVSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CC(C)C)C1 ZINC001049701543 801386676 /nfs/dbraw/zinc/38/66/76/801386676.db2.gz FGDOARBRGLXSJZ-HZPDHXFCSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1(CC)CCCC1 ZINC001049814819 801388616 /nfs/dbraw/zinc/38/86/16/801388616.db2.gz BCMKGUIHVHGNGD-HOTGVXAUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C(C)=C2CCC2)CC1 ZINC001052373649 801433132 /nfs/dbraw/zinc/43/31/32/801433132.db2.gz QTTGCTVPVSWFDU-HNNXBMFYSA-N 1 1 296.842 3.210 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)C2CCC2)CC1 ZINC001052486011 801436867 /nfs/dbraw/zinc/43/68/67/801436867.db2.gz GSFCJJUFVYZBNW-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C2(C)CCCC2)CC1 ZINC001052602989 801440744 /nfs/dbraw/zinc/44/07/44/801440744.db2.gz QPLBHHYXRVFSHA-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)C2CCC(=C)CC2)CC1 ZINC001052677154 801445282 /nfs/dbraw/zinc/44/52/82/801445282.db2.gz NENHLXVLKPCHPP-KRWDZBQOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC(C)(C)C2)CC1 ZINC001052962598 801457489 /nfs/dbraw/zinc/45/74/89/801457489.db2.gz HENMAXHKHZUJFV-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)CC1 ZINC001052914684 801457678 /nfs/dbraw/zinc/45/76/78/801457678.db2.gz UDXGUSKAPCDBKN-OAHLLOKOSA-N 1 1 298.386 3.203 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C3CC3)cc2)CC1 ZINC001052952892 801458173 /nfs/dbraw/zinc/45/81/73/801458173.db2.gz SQUNFHIWOYAQSB-SFHVURJKSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]([C@H]2CCCCN2C(C)=O)C1 ZINC001053054118 801464040 /nfs/dbraw/zinc/46/40/40/801464040.db2.gz IELNIVZSKMGLSK-IAGOWNOFSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC(C)C)C2 ZINC001054075424 801469183 /nfs/dbraw/zinc/46/91/83/801469183.db2.gz JQIHGCYLJRLHDU-MRXNPFEDSA-N 1 1 298.858 3.100 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(CC)CC)C2 ZINC001054242568 801479641 /nfs/dbraw/zinc/47/96/41/801479641.db2.gz OAUSHFVNQBMGEL-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@@H]3C)cc2C1 ZINC001054253552 801480487 /nfs/dbraw/zinc/48/04/87/801480487.db2.gz CMULXIDEWRCPBY-KBXCAEBGSA-N 1 1 298.430 3.241 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2ccc(C)s2)CC[C@H]1C ZINC001071299021 801524195 /nfs/dbraw/zinc/52/41/95/801524195.db2.gz DTDQGVRVQSMEJA-TZMCWYRMSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2ccccc2)CC[C@@H]1C ZINC001071317673 801525280 /nfs/dbraw/zinc/52/52/80/801525280.db2.gz XDDXAQNRNQHDHC-RDJZCZTQSA-N 1 1 286.419 3.236 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2cccc(C)c2)CC[C@H]1C ZINC001071316884 801525420 /nfs/dbraw/zinc/52/54/20/801525420.db2.gz LDAYIWYBUKSHKJ-NVXWUHKLSA-N 1 1 286.419 3.154 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)C2CCCCC2)CC[C@H]1C ZINC001071322134 801528044 /nfs/dbraw/zinc/52/80/44/801528044.db2.gz TZPDZFHCLZAKIH-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)C2=CCCCCC2)CC[C@@H]1C ZINC001071457188 801536284 /nfs/dbraw/zinc/53/62/84/801536284.db2.gz GTEHFQVDQZZBAM-DOTOQJQBSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2ccoc2CC)CC[C@@H]1C ZINC001071473715 801538402 /nfs/dbraw/zinc/53/84/02/801538402.db2.gz LLKXESKEQNXCEU-KBPBESRZSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2ccoc2Cl)CC[C@@H]1C ZINC001071467480 801538749 /nfs/dbraw/zinc/53/87/49/801538749.db2.gz RTZWUBFYYGAWSE-NWDGAFQWSA-N 1 1 296.798 3.092 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2CC(C)(C)C2)CC[C@@H]1C ZINC001071482169 801539113 /nfs/dbraw/zinc/53/91/13/801539113.db2.gz UXQIYVZPEPSZDP-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2sccc2F)CC[C@H]1C ZINC001071490743 801541070 /nfs/dbraw/zinc/54/10/70/801541070.db2.gz QSCIOHSCEQNGBN-NEPJUHHUSA-N 1 1 296.411 3.046 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[C@@H](C)[N@@H+](CCCC)C2)C1 ZINC001071803351 801553278 /nfs/dbraw/zinc/55/32/78/801553278.db2.gz LAYNMXUMKKZYIF-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2ccoc2CCC)CC[C@H]1C ZINC001071993120 801558844 /nfs/dbraw/zinc/55/88/44/801558844.db2.gz PDYOLLCRIFSUHL-KGLIPLIRSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cc3ccccc3o2)CC[C@H]1C ZINC001072049204 801562928 /nfs/dbraw/zinc/56/29/28/801562928.db2.gz OFYNMOUQUDZAOK-HIFRSBDPSA-N 1 1 298.386 3.202 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001080818642 801657979 /nfs/dbraw/zinc/65/79/79/801657979.db2.gz TVDYEQCBSPYWQU-QBPKDAKJSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CCCCC1 ZINC001085461621 801689527 /nfs/dbraw/zinc/68/95/27/801689527.db2.gz KNJSWSRCTCVWFR-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C(C)C)oc1C ZINC001085902083 801710185 /nfs/dbraw/zinc/71/01/85/801710185.db2.gz UNGDCGPCVAZVKL-AWEZNQCLSA-N 1 1 290.407 3.044 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C(C)C)oc1C ZINC001085902083 801710189 /nfs/dbraw/zinc/71/01/89/801710189.db2.gz UNGDCGPCVAZVKL-AWEZNQCLSA-N 1 1 290.407 3.044 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)ccc1C ZINC001085945815 801713666 /nfs/dbraw/zinc/71/36/66/801713666.db2.gz RLOFINWVPDSIGQ-MRXNPFEDSA-N 1 1 286.419 3.026 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C2CC2)cc1 ZINC001085982603 801716362 /nfs/dbraw/zinc/71/63/62/801716362.db2.gz ONAWZDZKGMFOSH-GOSISDBHSA-N 1 1 298.430 3.286 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C12CCC(CC1)CC2 ZINC001085983948 801716612 /nfs/dbraw/zinc/71/66/12/801716612.db2.gz SBSDDFPRPOBZTC-UPTPFMHGSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccoc2C)[C@H]1CC ZINC001087497231 801753101 /nfs/dbraw/zinc/75/31/01/801753101.db2.gz CGJOCVXRUOJMDT-JKSUJKDBSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C)o2)[C@H]1CC ZINC001087494416 801753564 /nfs/dbraw/zinc/75/35/64/801753564.db2.gz PTTJXMXUGGRENL-LSDHHAIUSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C(C)=C2CCC2)[C@H]1CC ZINC001087567986 801756978 /nfs/dbraw/zinc/75/69/78/801756978.db2.gz SCJPMCBHFXBNSK-DLBZAZTESA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@]23C[C@H]2CCCC3)[C@H]1CC ZINC001087715190 801764776 /nfs/dbraw/zinc/76/47/76/801764776.db2.gz WHZPHJFGQARBDL-KYHPRHEASA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C=C)cc2)[C@H]1CC ZINC001087736300 801765523 /nfs/dbraw/zinc/76/55/23/801765523.db2.gz JCEJXHOXWJJLSL-DLBZAZTESA-N 1 1 284.403 3.098 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](C/C=C\Cl)[C@@H]2CC)C1 ZINC001087718609 801766370 /nfs/dbraw/zinc/76/63/70/801766370.db2.gz XVCDSDBNQSKQPS-BPIHMUFXSA-N 1 1 296.842 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2C=CCCC2)[C@H]1C ZINC001088656883 801804442 /nfs/dbraw/zinc/80/44/42/801804442.db2.gz JDQZJTDRSOOXPM-IKGGRYGDSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@H]2C=CCCC2)[C@H]1C ZINC001088656130 801805522 /nfs/dbraw/zinc/80/55/22/801805522.db2.gz GXESWZPQRWBUOV-ILXRZTDVSA-N 1 1 296.842 3.064 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2C=CCCC2)[C@H]1C ZINC001088656130 801805526 /nfs/dbraw/zinc/80/55/26/801805526.db2.gz GXESWZPQRWBUOV-ILXRZTDVSA-N 1 1 296.842 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2c(C)cccc2Cl)[C@H]1C ZINC001088836689 801808499 /nfs/dbraw/zinc/80/84/99/801808499.db2.gz QFRBRSNRQHGXHE-OCCSQVGLSA-N 1 1 292.810 3.027 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)[C@H]1C ZINC001088840308 801812343 /nfs/dbraw/zinc/81/23/43/801812343.db2.gz DGBRLRWUZCFEAX-OAGGEKHMSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)[C@@H]2C)C1 ZINC001088844167 801812486 /nfs/dbraw/zinc/81/24/86/801812486.db2.gz FMSMTLJAQXYDPT-ZBFHGGJFSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2Cl)[C@H]1C ZINC001088997915 801817060 /nfs/dbraw/zinc/81/70/60/801817060.db2.gz QRGMMNAVOJYONX-DOMZBBRYSA-N 1 1 292.810 3.109 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CC=C(C)CC2)[C@H]1C ZINC001089054886 801819831 /nfs/dbraw/zinc/81/98/31/801819831.db2.gz LPBRNNAZNHEWBW-SOLBZPMBSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2coc3ccccc23)[C@H]1C ZINC001089075455 801820556 /nfs/dbraw/zinc/82/05/56/801820556.db2.gz FNGIRSWNADKJDK-CJNGLKHVSA-N 1 1 298.386 3.202 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](C(C)C)CC(C)(C)C2)C1 ZINC001089485770 801840985 /nfs/dbraw/zinc/84/09/85/801840985.db2.gz PORBNDCHRLJJEM-OAHLLOKOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC(C)(C)C2)[C@H](C)C1 ZINC001093236828 801866984 /nfs/dbraw/zinc/86/69/84/801866984.db2.gz HPTNEIKNIKOGIU-OWCLPIDISA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(CNC(=O)C3=CCCC3)CCC[C@@H]12 ZINC001094391485 801871146 /nfs/dbraw/zinc/87/11/46/801871146.db2.gz KNICMGWHUIFTAE-SJLPKXTDSA-N 1 1 288.435 3.034 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC(C)(C)C1)C2 ZINC001095983347 801887530 /nfs/dbraw/zinc/88/75/30/801887530.db2.gz XAPUVBXTGAFFRJ-FZKCQIBNSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C)cc1C)C2 ZINC001096471538 801889163 /nfs/dbraw/zinc/88/91/63/801889163.db2.gz AUCORWDEWBBMCF-NJAFHUGGSA-N 1 1 298.430 3.215 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCCC1(C)C)C2 ZINC001096632798 801889349 /nfs/dbraw/zinc/88/93/49/801889349.db2.gz ORTXSVTZGJMZEE-UGUYLWEFSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC(C)(C)C1)C2 ZINC001097034758 801898257 /nfs/dbraw/zinc/89/82/57/801898257.db2.gz XPOXAKVVRFWOBD-OAGGEKHMSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C1CCC1)C2 ZINC001097588979 801901357 /nfs/dbraw/zinc/90/13/57/801901357.db2.gz IORGIKOZTKQIIO-OAGGEKHMSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC1(C)C)C2 ZINC001097667075 801902284 /nfs/dbraw/zinc/90/22/84/801902284.db2.gz NREBFJNKXJMSLF-FPCVCCKLSA-N 1 1 290.451 3.110 20 30 CGEDMO CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(CC)CC ZINC001098923098 801922421 /nfs/dbraw/zinc/92/24/21/801922421.db2.gz YBMJDQNBJZVKDK-INIZCTEOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC[C@H](C)F ZINC001098966657 801922698 /nfs/dbraw/zinc/92/26/98/801922698.db2.gz SBWZFMQKGQHBOK-LSDHHAIUSA-N 1 1 298.446 3.308 20 30 CGEDMO C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(CC)CC ZINC001098920853 801923080 /nfs/dbraw/zinc/92/30/80/801923080.db2.gz CMUCTZYUPSBHNE-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)/C(C)=C/C ZINC001099001562 801923741 /nfs/dbraw/zinc/92/37/41/801923741.db2.gz VBWJXDVVJAVTCG-LULHVWEPSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)/C=C(\C)CC ZINC001099054349 801928665 /nfs/dbraw/zinc/92/86/65/801928665.db2.gz DLTDLKUKZVDTAQ-GOFCXVBSSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC1CC1 ZINC001099203583 801934204 /nfs/dbraw/zinc/93/42/04/801934204.db2.gz NYWAWFBJUYYGQG-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1(CCC)CC1 ZINC001099230223 801934346 /nfs/dbraw/zinc/93/43/46/801934346.db2.gz QYWGONYBSUFGFB-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@@H]1CCC(C)(C)C[N@H+]1CC ZINC001099193594 801934838 /nfs/dbraw/zinc/93/48/38/801934838.db2.gz FZVSDOYOXUMNOW-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC(C)(C)C ZINC001099270455 801936020 /nfs/dbraw/zinc/93/60/20/801936020.db2.gz MIQQZKUXCVQJKN-OAHLLOKOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC(C)(C)C(=O)N1C[C@H]2C[N@H+](CCCC)C[C@@]2(C)C1 ZINC001101378758 801978602 /nfs/dbraw/zinc/97/86/02/801978602.db2.gz DQAAPWDDVMXFSO-QAPCUYQASA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](CNC(=O)/C=C\C(C)(C)C)[C@H](C)C1 ZINC001101827302 801992523 /nfs/dbraw/zinc/99/25/23/801992523.db2.gz YVBSTMIOVDONRJ-SBKIPFDTSA-N 1 1 292.467 3.239 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](CNC(=O)C2CC(C)(C)C2)[C@H](C)C1 ZINC001101932911 801996493 /nfs/dbraw/zinc/99/64/93/801996493.db2.gz XOEHHLQEWLLTCS-GDBMZVCRSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](CCC2CC2)C[C@H]1C ZINC001102219284 801999961 /nfs/dbraw/zinc/99/99/61/801999961.db2.gz AWCSTJRJBRMTHY-GDBMZVCRSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1C ZINC001102262984 802004263 /nfs/dbraw/zinc/00/42/63/802004263.db2.gz RHRJVZXJADVXJY-CWCORTEISA-N 1 1 298.858 3.025 20 30 CGEDMO C=CCCC1(C(=O)NC[C@@H]2C[N@@H+](CCCC)C[C@H]2C)CC1 ZINC001102328504 802005225 /nfs/dbraw/zinc/00/52/25/802005225.db2.gz MDVLBDUUODEOBD-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H]1C[N@@H+](CCC2CC2)C[C@H]1C ZINC001102326405 802005300 /nfs/dbraw/zinc/00/53/00/802005300.db2.gz QSWCHKKTSFQLAT-QGPMSJSTSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCCCC(=O)NC[C@@H]1C[N@@H+](C[C@@H](C)CC)C[C@H]1C ZINC001102297363 802005468 /nfs/dbraw/zinc/00/54/68/802005468.db2.gz WKZRIWQAJMUSFI-ARFHVFGLSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](CCC)C(C)C)[C@H](C)C1 ZINC001102418049 802006532 /nfs/dbraw/zinc/00/65/32/802006532.db2.gz PYQNQRMTTSKCGE-ZACQAIPSSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@@H+](CCCCC)C[C@H]1C ZINC001102411184 802006614 /nfs/dbraw/zinc/00/66/14/802006614.db2.gz JKUZMWLLVPKRKN-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)CC2CCCC2)[C@H](C)C1 ZINC001102425554 802006870 /nfs/dbraw/zinc/00/68/70/802006870.db2.gz AHFSBKNEGVPETP-ZMSDIMECSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)[C@H](C)C2CCCC2)[C@H](C)C1 ZINC001102507416 802011797 /nfs/dbraw/zinc/01/17/97/802011797.db2.gz ZVYXIURCQFUOFL-BFYDXBDKSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)C[C@@H](C)CC(C)C)[C@H](C)C1 ZINC001102507813 802012047 /nfs/dbraw/zinc/01/20/47/802012047.db2.gz PTLJVXMEQPPMAO-GVDBMIGSSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](CNC(=O)C2(CC)CCCCC2)[C@H](C)C1 ZINC001102594193 802013335 /nfs/dbraw/zinc/01/33/35/802013335.db2.gz FTNBOYNCEXUPDQ-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCC(=O)NCC[C@@H]1C[N@@H+](C[C@@H](C)CC)C[C@H]1C ZINC001102762009 802019918 /nfs/dbraw/zinc/01/99/18/802019918.db2.gz JCAZQSFMZGIGDW-ARFHVFGLSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)CC)C1 ZINC001102913720 802023219 /nfs/dbraw/zinc/02/32/19/802023219.db2.gz VRYSQZXNNYAQEC-BRWVUGGUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C/C(C)=C\CC(=O)NCC[C@@H]1C[N@H+](CC(=C)C)C[C@H]1C ZINC001103327154 802031520 /nfs/dbraw/zinc/03/15/20/802031520.db2.gz KTEWYSQECPQDFO-CTOSAQQISA-N 1 1 290.451 3.159 20 30 CGEDMO CC#CCCCC(=O)NCC[C@@H]1C[N@@H+](CCCC)C[C@H]1C ZINC001103341366 802031699 /nfs/dbraw/zinc/03/16/99/802031699.db2.gz CHYGILUARRAYRY-IAGOWNOFSA-N 1 1 292.467 3.054 20 30 CGEDMO C=C1CCC(C(=O)NCC[C@@H]2C[N@@H+](CCC)C[C@H]2C)CC1 ZINC001103402663 802032118 /nfs/dbraw/zinc/03/21/18/802032118.db2.gz HFDYAAUXNONBCM-NVXWUHKLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCCC(=O)NCC[C@@H]1C[N@@H+](C[C@@H](F)CC)C[C@H]1C ZINC001103382588 802032313 /nfs/dbraw/zinc/03/23/13/802032313.db2.gz NKZJNJJJSXFWMG-OAGGEKHMSA-N 1 1 298.446 3.165 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)CC)C1 ZINC001103387250 802033961 /nfs/dbraw/zinc/03/39/61/802033961.db2.gz POWSYTWAJIDEEA-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)CC(C)C)C1 ZINC001103624336 802036560 /nfs/dbraw/zinc/03/65/60/802036560.db2.gz SDNTXPDUMDWERV-HZPDHXFCSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)C3(CC)CCC3)CCC[C@@H]12 ZINC001107512483 802089657 /nfs/dbraw/zinc/08/96/57/802089657.db2.gz DCQAIFLVFKWRFZ-CRAIPNDOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC/C=C/CCC ZINC001109055361 802108718 /nfs/dbraw/zinc/10/87/18/802108718.db2.gz ZPAZHSWTUGSTIO-IGSWWEIZSA-N 1 1 290.451 3.421 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C=C(C)C)C2 ZINC001110259633 802134064 /nfs/dbraw/zinc/13/40/64/802134064.db2.gz KLXXNLCMLYVJPD-JJXSEGSLSA-N 1 1 276.424 3.029 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)/C=C\C(C)(C)C)C2 ZINC001110400361 802140023 /nfs/dbraw/zinc/14/00/23/802140023.db2.gz MMMYYDNPKCJALI-YALQPPQMSA-N 1 1 290.451 3.276 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC1CCC1)C2 ZINC001110432310 802140245 /nfs/dbraw/zinc/14/02/45/802140245.db2.gz VMRJCTQHDMWHJG-ZACQAIPSSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C(=C)Cl)C2 ZINC001110596345 802144883 /nfs/dbraw/zinc/14/48/83/802144883.db2.gz FRYSBPOMZANCFW-MCIONIFRSA-N 1 1 296.842 3.063 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)=C1CCC1)C2 ZINC001110531828 802145205 /nfs/dbraw/zinc/14/52/05/802145205.db2.gz PBTHVHHMFSDJET-ZACQAIPSSA-N 1 1 288.435 3.175 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)C ZINC001110602365 802145890 /nfs/dbraw/zinc/14/58/90/802145890.db2.gz OLWQCICWOFFQET-OAGGEKHMSA-N 1 1 292.467 3.356 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C(C)(C)C)C2 ZINC001110721654 802146620 /nfs/dbraw/zinc/14/66/20/802146620.db2.gz HEJXWQOJDFMQRM-FPCVCCKLSA-N 1 1 292.467 3.356 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1 ZINC001110933404 802150098 /nfs/dbraw/zinc/15/00/98/802150098.db2.gz LJHHBZYPDGPJDG-SVGFKBNWSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)CC)C2 ZINC001110967820 802153137 /nfs/dbraw/zinc/15/31/37/802153137.db2.gz FZXCUYYOVYIAFR-JJXSEGSLSA-N 1 1 292.467 3.499 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)CC=C)C2 ZINC001111072223 802155250 /nfs/dbraw/zinc/15/52/50/802155250.db2.gz HEJOINOTHFQWDT-OAGGEKHMSA-N 1 1 290.451 3.276 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](C)CC(C)C)C2 ZINC001111266386 802158084 /nfs/dbraw/zinc/15/80/84/802158084.db2.gz CHBUCJUWZMQAFI-HZMVEIRTSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H](CC)C(C)(C)C)C2 ZINC001111271425 802158962 /nfs/dbraw/zinc/15/89/62/802158962.db2.gz QXGPOOLDXDDZGL-FPCVCCKLSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CCC)CC(C)C)C2 ZINC001111478344 802160279 /nfs/dbraw/zinc/16/02/79/802160279.db2.gz XIQYDCHQNGUHAD-HZMVEIRTSA-N 1 1 292.467 3.356 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC(C)C)C1 ZINC001111585434 802163113 /nfs/dbraw/zinc/16/31/13/802163113.db2.gz UGOCDFBAKCHODI-HOCLYGCPSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC(C)C)C1 ZINC001111585434 802163115 /nfs/dbraw/zinc/16/31/15/802163115.db2.gz UGOCDFBAKCHODI-HOCLYGCPSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)/C(C)=C\CC)C1 ZINC001111632267 802165071 /nfs/dbraw/zinc/16/50/71/802165071.db2.gz JXCFEWLFNUDSBL-RBXZUAJRSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)/C(C)=C\CC)C1 ZINC001111632267 802165076 /nfs/dbraw/zinc/16/50/76/802165076.db2.gz JXCFEWLFNUDSBL-RBXZUAJRSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=C)C)C2 ZINC001111760484 802168689 /nfs/dbraw/zinc/16/86/89/802168689.db2.gz ALMUTKPEVOTCDY-YJBOKZPZSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)[C@@H](C)[C@H](C)C(C)(C)C)CC1 ZINC001113422471 802220142 /nfs/dbraw/zinc/22/01/42/802220142.db2.gz PLTNHMCHJRNBCW-GJZGRUSLSA-N 1 1 280.456 3.025 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)CC ZINC001114761443 802244516 /nfs/dbraw/zinc/24/45/16/802244516.db2.gz LHOUHWCHAGPTBN-ZSHCYNCHSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@](C)(CC)CCC ZINC001115030908 802250598 /nfs/dbraw/zinc/25/05/98/802250598.db2.gz NYNKNCJUGZICNV-MUQADHOPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](C/C=C/c2ccc(F)cc2)C1 ZINC001116555689 802377247 /nfs/dbraw/zinc/37/72/47/802377247.db2.gz TXRNDQVUGZWPKU-QDLOVBKTSA-N 1 1 261.340 3.116 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cccc3c2OC(C)(C)C3)C1 ZINC001116554791 802377261 /nfs/dbraw/zinc/37/72/61/802377261.db2.gz FKQPXDUJGWRXNT-MRXNPFEDSA-N 1 1 287.403 3.177 20 30 CGEDMO CCCCCCCOC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001116790228 802410837 /nfs/dbraw/zinc/41/08/37/802410837.db2.gz GFTFCBPBVPPVCE-UHFFFAOYSA-N 1 1 287.363 3.395 20 30 CGEDMO CC[N@@H+](Cc1ccc(-c2cnn(C)c2)cc1)C[C@@H](C)C#N ZINC001116877052 802423286 /nfs/dbraw/zinc/42/32/86/802423286.db2.gz HMAAVJNHFZBMIR-AWEZNQCLSA-N 1 1 282.391 3.069 20 30 CGEDMO CC[N@H+](Cc1ccc(-c2cnn(C)c2)cc1)C[C@@H](C)C#N ZINC001116877052 802423290 /nfs/dbraw/zinc/42/32/90/802423290.db2.gz HMAAVJNHFZBMIR-AWEZNQCLSA-N 1 1 282.391 3.069 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CC[C@H](OC(=O)OC(C)(C)C)C1 ZINC001172490972 808349878 /nfs/dbraw/zinc/34/98/78/808349878.db2.gz BEASDJVFUCURBE-OLZOCXBDSA-N 1 1 282.384 3.095 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001172502236 808357062 /nfs/dbraw/zinc/35/70/62/808357062.db2.gz TZEUUFCNOXGPPZ-ZIAGYGMSSA-N 1 1 295.427 3.010 20 30 CGEDMO C[N@H+](Cc1cc2ccccc2[nH]1)C[C@@H](O)CC1(C#N)CCC1 ZINC001119435325 802664103 /nfs/dbraw/zinc/66/41/03/802664103.db2.gz OQIBRHLZHKDXQE-INIZCTEOSA-N 1 1 297.402 3.045 20 30 CGEDMO C=CC[C@@H]1[N@H+](C[C@@H](O)CCC2(O)CCC2)CCCC1(C)C ZINC001119770875 802698793 /nfs/dbraw/zinc/69/87/93/802698793.db2.gz DJYJYXBBAFUPAR-HOTGVXAUSA-N 1 1 295.467 3.109 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)CCCCC)C1 ZINC001120318211 802739326 /nfs/dbraw/zinc/73/93/26/802739326.db2.gz FBJOUKGNOHIVBY-IRXDYDNUSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CCCC)C1 ZINC001120348353 802740311 /nfs/dbraw/zinc/74/03/11/802740311.db2.gz ULFOJAGEJVCCOE-DLBZAZTESA-N 1 1 292.467 3.456 20 30 CGEDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ccc2cc(C#N)ccc2n1 ZINC001120824482 802784710 /nfs/dbraw/zinc/78/47/10/802784710.db2.gz SEJZMUJRTHBZIA-SJCJKPOMSA-N 1 1 292.386 3.001 20 30 CGEDMO C#CC1(N[C@H]2CCC[N@@H+](C3CCCC3)C2)CCCCC1 ZINC001256907877 807006959 /nfs/dbraw/zinc/00/69/59/807006959.db2.gz GXCCCOLWADRRPY-INIZCTEOSA-N 1 1 274.452 3.319 20 30 CGEDMO C#CC1(N[C@H]2CCC[N@H+](C3CCCC3)C2)CCCCC1 ZINC001256907877 807006966 /nfs/dbraw/zinc/00/69/66/807006966.db2.gz GXCCCOLWADRRPY-INIZCTEOSA-N 1 1 274.452 3.319 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)CCC(C)C)CC[C@H]1C ZINC001131787752 803345960 /nfs/dbraw/zinc/34/59/60/803345960.db2.gz LQVQZCYSYQEXRM-CVEARBPZSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)C(CC)CC)CC[C@H]1C ZINC001131839816 803350673 /nfs/dbraw/zinc/35/06/73/803350673.db2.gz VNBDEKVWHLXXCS-ZBFHGGJFSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)CCCC)CC[C@H]1C ZINC001131856321 803351940 /nfs/dbraw/zinc/35/19/40/803351940.db2.gz KYVPAXZHPOQBKG-HUUCEWRRSA-N 1 1 266.429 3.112 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC/C=C/CC)C1 ZINC001131895237 803356422 /nfs/dbraw/zinc/35/64/22/803356422.db2.gz HFGZEYCOJLBXHY-CGMDNHBQSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@H](NC(=O)/C=C(\C)C2CC2)CC[C@H]1C ZINC001131904595 803356528 /nfs/dbraw/zinc/35/65/28/803356528.db2.gz SSBRGTPQTJECDY-FQVLRVHISA-N 1 1 296.842 3.064 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)/C=C(\C)C2CC2)CC[C@H]1C ZINC001131904595 803356534 /nfs/dbraw/zinc/35/65/34/803356534.db2.gz SSBRGTPQTJECDY-FQVLRVHISA-N 1 1 296.842 3.064 20 30 CGEDMO C#CCCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(CC)CC)C1 ZINC001132003518 803365138 /nfs/dbraw/zinc/36/51/38/803365138.db2.gz WNEAZHDJPCRYNC-WBVHZDCISA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)C2CC(C)(C)C2)CC[C@H]1C ZINC001132000234 803365955 /nfs/dbraw/zinc/36/59/55/803365955.db2.gz ZLCSTEVJCIKAML-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO CCCCCC[N@H+]1C[C@H](NC(=O)C#CC(C)C)CC[C@@H]1C ZINC001132024113 803368786 /nfs/dbraw/zinc/36/87/86/803368786.db2.gz CZZDWAZZBQBAEO-DLBZAZTESA-N 1 1 292.467 3.195 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC2CC2)C1 ZINC001132079269 803372824 /nfs/dbraw/zinc/37/28/24/803372824.db2.gz WFNDHDANMZUNCB-BXUZGUMPSA-N 1 1 298.858 3.144 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)C2(CCF)CC2)CC[C@H]1C ZINC001132198695 803378754 /nfs/dbraw/zinc/37/87/54/803378754.db2.gz ASRMGRBUOGOWRJ-HUUCEWRRSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)CC(C)=C(C)C)CC[C@H]1C ZINC001132223482 803380829 /nfs/dbraw/zinc/38/08/29/803380829.db2.gz DXIMEGXNRRCIKE-HZPDHXFCSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C/C(C)=C\CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=C)C)C1 ZINC001132223570 803380867 /nfs/dbraw/zinc/38/08/67/803380867.db2.gz FCUGIPHRSLPETH-IAGRGRHTSA-N 1 1 276.424 3.054 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CCCF)CC[C@@H]1C ZINC001132232190 803383317 /nfs/dbraw/zinc/38/33/17/803383317.db2.gz RTBIRCJMHRUJRD-HOTGVXAUSA-N 1 1 298.446 3.452 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCC2CC2)C1 ZINC001132249817 803387492 /nfs/dbraw/zinc/38/74/92/803387492.db2.gz SUXGQGFCIFXBJX-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO CC#CC[N@H+]1C[C@H](NC(=O)C(CCC)CCC)CC[C@H]1C ZINC001132255773 803389062 /nfs/dbraw/zinc/38/90/62/803389062.db2.gz FKHYLFQLXIMBCH-NVXWUHKLSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCCC1(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC3CC3)C2)CC1 ZINC001132292458 803394349 /nfs/dbraw/zinc/39/43/49/803394349.db2.gz RKHLGQZTAFJLAQ-GOEBONIOSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](CC2CCC2)C1 ZINC001132332561 803396663 /nfs/dbraw/zinc/39/66/63/803396663.db2.gz VMXUNPFBCFRJOB-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C#CCC[N@H+]1C[C@@H](NC(=O)C(CC)(CC)CC)CC[C@@H]1C ZINC001132383945 803399778 /nfs/dbraw/zinc/39/97/78/803399778.db2.gz GNRYOWPIWOQKLF-HOTGVXAUSA-N 1 1 292.467 3.195 20 30 CGEDMO CC#CC[N@H+]1C[C@@H](NC(=O)C(C)(C)CC(C)C)CC[C@@H]1C ZINC001132416836 803402155 /nfs/dbraw/zinc/40/21/55/803402155.db2.gz NGTFVEQGSQOSPG-HOTGVXAUSA-N 1 1 292.467 3.051 20 30 CGEDMO C#CC[N@H+]1C[C@H](NC(=O)CCCCCCCC)CC[C@H]1C ZINC001132441656 803404806 /nfs/dbraw/zinc/40/48/06/803404806.db2.gz RTLSYCXSCBGLHB-IAGOWNOFSA-N 1 1 292.467 3.339 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C(C)(CC)CC)CC[C@@H]1C ZINC001132494580 803408767 /nfs/dbraw/zinc/40/87/67/803408767.db2.gz UPGKDICTGOFPAC-GJZGRUSLSA-N 1 1 280.456 3.358 20 30 CGEDMO C[NH+](C)Cc1cccc(-c2nccc3[nH]cc(C#N)c32)c1F ZINC001244863897 803554596 /nfs/dbraw/zinc/55/45/96/803554596.db2.gz NIYILPUWZMGYRF-UHFFFAOYSA-N 1 1 294.333 3.302 20 30 CGEDMO C=C1CC(C)(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](CC)C2)C1 ZINC001136759894 803651444 /nfs/dbraw/zinc/65/14/44/803651444.db2.gz PBSJECWISGEQTD-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO N#CCOc1ccc(C[N@@H+](Cc2ccco2)C2CC2)cc1 ZINC001137121288 803684752 /nfs/dbraw/zinc/68/47/52/803684752.db2.gz AZUICVCGFGZTGG-UHFFFAOYSA-N 1 1 282.343 3.347 20 30 CGEDMO CCCCCCCCNC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC001137583840 803742892 /nfs/dbraw/zinc/74/28/92/803742892.db2.gz VJBQFATWHWNMLB-CQSZACIVSA-N 1 1 268.445 3.336 20 30 CGEDMO CCOc1cccc(C[N@H+]2CCC[C@@H](C#N)CC2)c1 ZINC001138101357 803853785 /nfs/dbraw/zinc/85/37/85/803853785.db2.gz YUOQZPDHKSGRCM-CQSZACIVSA-N 1 1 258.365 3.211 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3ccc4ncccc4c3)CC[C@H]2S1 ZINC001138107248 803857192 /nfs/dbraw/zinc/85/71/92/803857192.db2.gz NTPUNFIEHVKMAZ-MRXNPFEDSA-N 1 1 296.395 3.009 20 30 CGEDMO O=C1C=C2C[N@@H+](Cc3ccc4ncccc4c3)CCC2S1 ZINC001138107248 803857201 /nfs/dbraw/zinc/85/72/01/803857201.db2.gz NTPUNFIEHVKMAZ-MRXNPFEDSA-N 1 1 296.395 3.009 20 30 CGEDMO O=C1C=C2C[N@H+](Cc3ccc4ncccc4c3)CCC2S1 ZINC001138107248 803857210 /nfs/dbraw/zinc/85/72/10/803857210.db2.gz NTPUNFIEHVKMAZ-MRXNPFEDSA-N 1 1 296.395 3.009 20 30 CGEDMO C#CCOc1ccc(C[N@@H+](CCC)CC2CC2)cc1OC ZINC001138341126 803898180 /nfs/dbraw/zinc/89/81/80/803898180.db2.gz ICXVJXQICRDUNJ-UHFFFAOYSA-N 1 1 287.403 3.329 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@@H]2CC)cc1OC ZINC001138345567 803899427 /nfs/dbraw/zinc/89/94/27/803899427.db2.gz JLHAULYYKOAYMC-HNNXBMFYSA-N 1 1 273.376 3.082 20 30 CGEDMO CCc1cccc2c(C[N@H+](CC)CCC#N)c[nH]c21 ZINC001138361002 803905213 /nfs/dbraw/zinc/90/52/13/803905213.db2.gz GWZBZKSDZMGQFY-UHFFFAOYSA-N 1 1 255.365 3.466 20 30 CGEDMO CCc1cccc2c(C[N@@H+](CC)CCC#N)c[nH]c21 ZINC001138361002 803905218 /nfs/dbraw/zinc/90/52/18/803905218.db2.gz GWZBZKSDZMGQFY-UHFFFAOYSA-N 1 1 255.365 3.466 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@](C)(F)C2)cc1 ZINC001138556103 803966263 /nfs/dbraw/zinc/96/62/63/803966263.db2.gz FZCMATAMUYVVFF-INIZCTEOSA-N 1 1 261.340 3.023 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@@](C)(F)CC2)cc1 ZINC001138556457 803966741 /nfs/dbraw/zinc/96/67/41/803966741.db2.gz WHBHWRGNNGUMEJ-QGZVFWFLSA-N 1 1 275.367 3.413 20 30 CGEDMO C=CCc1cccc(C[N@@H+](C)CCc2ccncc2)c1O ZINC001138629101 803984864 /nfs/dbraw/zinc/98/48/64/803984864.db2.gz ODBDQFXWFUQDJX-UHFFFAOYSA-N 1 1 282.387 3.190 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1C[C@@H](C)OC[C@H]1C ZINC001138666228 803998576 /nfs/dbraw/zinc/99/85/76/803998576.db2.gz LYIOMJJLTFRMSV-HUUCEWRRSA-N 1 1 275.392 3.251 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC001138666228 803998583 /nfs/dbraw/zinc/99/85/83/803998583.db2.gz LYIOMJJLTFRMSV-HUUCEWRRSA-N 1 1 275.392 3.251 20 30 CGEDMO CCCCCCCCCC[C@@H](O)CNc1cc(N)[nH+]cn1 ZINC001245960896 804090001 /nfs/dbraw/zinc/09/00/01/804090001.db2.gz ZDYGONWNBZPXFA-CQSZACIVSA-N 1 1 294.443 3.362 20 30 CGEDMO CCCCCCCCCC[C@@H](O)CNc1cc(N)nc[nH+]1 ZINC001245960896 804090012 /nfs/dbraw/zinc/09/00/12/804090012.db2.gz ZDYGONWNBZPXFA-CQSZACIVSA-N 1 1 294.443 3.362 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1C[C@@H]2CCCC(=O)[C@@H]2C1 ZINC001139030238 804114552 /nfs/dbraw/zinc/11/45/52/804114552.db2.gz BAZDBMJDOMWEES-GOEBONIOSA-N 1 1 285.387 3.052 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@H](OCCC)C1 ZINC001139029884 804114999 /nfs/dbraw/zinc/11/49/99/804114999.db2.gz UNUGKORVYLOFOD-INIZCTEOSA-N 1 1 275.392 3.252 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccccc1OCC(=O)OCC ZINC001139135916 804134159 /nfs/dbraw/zinc/13/41/59/804134159.db2.gz MZJFJPVOAPJRHE-UHFFFAOYSA-N 1 1 291.391 3.027 20 30 CGEDMO N#Cc1ccc(Oc2ccc(C[NH+]3CC=CC3)cn2)cc1 ZINC001139424059 804188465 /nfs/dbraw/zinc/18/84/65/804188465.db2.gz MHVKLSHROBMCSZ-UHFFFAOYSA-N 1 1 277.327 3.117 20 30 CGEDMO C=CC[C@H]1N(C(=O)[C@@H]2CCCC[N@@H+]2C)CCCC1(C)C ZINC001139511770 804196823 /nfs/dbraw/zinc/19/68/23/804196823.db2.gz QRIXCKIMUDAVCT-LSDHHAIUSA-N 1 1 278.440 3.064 20 30 CGEDMO COC(C)(C)[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC001139651815 804244109 /nfs/dbraw/zinc/24/41/09/804244109.db2.gz WAMQQDQNYFNPGH-HNNXBMFYSA-N 1 1 276.355 3.087 20 30 CGEDMO C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2C#N)CC[C@@]1(C)O ZINC001139687618 804254851 /nfs/dbraw/zinc/25/48/51/804254851.db2.gz UOGMXGYVPOQZRZ-MLGOLLRUSA-N 1 1 292.810 3.195 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2C#N)CC[C@@]1(C)O ZINC001139687618 804254859 /nfs/dbraw/zinc/25/48/59/804254859.db2.gz UOGMXGYVPOQZRZ-MLGOLLRUSA-N 1 1 292.810 3.195 20 30 CGEDMO CC[N@H+]1CCN(Cc2cccc(Cl)c2C#N)C(C)(C)C1 ZINC001139693200 804256245 /nfs/dbraw/zinc/25/62/45/804256245.db2.gz SUUHQASFUYBYGQ-UHFFFAOYSA-N 1 1 291.826 3.128 20 30 CGEDMO C[C@@]1(CF)CC[N@@H+](Cc2c[nH]c3c2cccc3C#N)C1 ZINC001139701106 804258053 /nfs/dbraw/zinc/25/80/53/804258053.db2.gz ARZFMJWAULKEAM-INIZCTEOSA-N 1 1 271.339 3.221 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2c[nH]c3c2cccc3C#N)[C@@H](C)C1 ZINC001139707759 804260874 /nfs/dbraw/zinc/26/08/74/804260874.db2.gz RKQLMCFLUIPRBI-SWLSCSKDSA-N 1 1 283.375 3.039 20 30 CGEDMO CCCCCCC[C@@H](CC(C)C)[NH2+][C@]1(CO)CCNC1 ZINC001246287674 804261101 /nfs/dbraw/zinc/26/11/01/804261101.db2.gz KGZIGYLUNUBFMR-DLBZAZTESA-N 1 1 284.488 3.076 20 30 CGEDMO N#Cc1cccc2c(C[N@H+]3CCC[C@H]4C[C@H]43)c[nH]c21 ZINC001139706648 804261310 /nfs/dbraw/zinc/26/13/10/804261310.db2.gz COAQWOWKGSHODU-XHDPSFHLSA-N 1 1 251.333 3.024 20 30 CGEDMO CCCCCCC[C@@H](CCC)N[C@]1(CCO)CC[NH2+]C1 ZINC001246292422 804261926 /nfs/dbraw/zinc/26/19/26/804261926.db2.gz JPBUIPVMHAXKOF-SJORKVTESA-N 1 1 284.488 3.220 20 30 CGEDMO CCCCCCCCCC[C@H](C)[NH2+][C@H]1CNC[C@H]1CO ZINC001246302027 804267613 /nfs/dbraw/zinc/26/76/13/804267613.db2.gz ZVECQYXXCOELFC-ULQDDVLXSA-N 1 1 284.488 3.076 20 30 CGEDMO CCCCCCCC[C@H](CCC)[NH2+][C@H]1CNC[C@@H]1CO ZINC001246307768 804271246 /nfs/dbraw/zinc/27/12/46/804271246.db2.gz NFPGKTMRCOVFDW-IKGGRYGDSA-N 1 1 284.488 3.076 20 30 CGEDMO C=CCn1cc(C[N@H+](CC)Cc2ccc(OC)cc2)cn1 ZINC001139771007 804277326 /nfs/dbraw/zinc/27/73/26/804277326.db2.gz KSHULKVJUNKELD-UHFFFAOYSA-N 1 1 285.391 3.100 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(Cl)cc2F)no1 ZINC001212325614 815005120 /nfs/dbraw/zinc/00/51/20/815005120.db2.gz XLOHDPMVPSAIML-LBPRGKRZSA-N 1 1 293.729 3.332 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cc(F)c(F)cc2C)no1 ZINC001212325005 815005176 /nfs/dbraw/zinc/00/51/76/815005176.db2.gz FEIXPJQXKDFCRM-ZDUSSCGKSA-N 1 1 291.301 3.127 20 30 CGEDMO C=CCn1cc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)cn1 ZINC001139772701 804279913 /nfs/dbraw/zinc/27/99/13/804279913.db2.gz PHQLYYKRBRXBHQ-MRXNPFEDSA-N 1 1 285.366 3.198 20 30 CGEDMO COCc1ccc(C[N@H+]2CCC[C@@H](C#N)CC2)s1 ZINC001139828703 804293416 /nfs/dbraw/zinc/29/34/16/804293416.db2.gz SEVIRBFYVDAUMG-GFCCVEGCSA-N 1 1 264.394 3.020 20 30 CGEDMO CC[C@@H](CC#N)N[C@@H](c1cccc(F)c1)C1CC[NH2+]CC1 ZINC001246402074 804321376 /nfs/dbraw/zinc/32/13/76/804321376.db2.gz WHWQLEXSJGIJRS-DLBZAZTESA-N 1 1 289.398 3.148 20 30 CGEDMO CC[C@@H](CC#N)N[C@H](c1cccc(F)c1)C1CC[NH2+]CC1 ZINC001246402076 804322721 /nfs/dbraw/zinc/32/27/21/804322721.db2.gz WHWQLEXSJGIJRS-IRXDYDNUSA-N 1 1 289.398 3.148 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc3ccccc3cn2)C1 ZINC001139998748 804347743 /nfs/dbraw/zinc/34/77/43/804347743.db2.gz CFRNJFOHHZXMCA-CQSZACIVSA-N 1 1 250.345 3.080 20 30 CGEDMO N#Cc1ccc2[nH]cc(C[N@H+]3CC[C@H]4OCCC[C@H]4C3)c2c1 ZINC001140112468 804381208 /nfs/dbraw/zinc/38/12/08/804381208.db2.gz VJZCPGOPAVHUEI-KBXCAEBGSA-N 1 1 295.386 3.040 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2Cc2ccccn2)c(F)c1 ZINC001140139286 804386248 /nfs/dbraw/zinc/38/62/48/804386248.db2.gz PUCOLIMJBNMYET-KRWDZBQOSA-N 1 1 295.361 3.299 20 30 CGEDMO COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)ccc1C ZINC001140160242 804391946 /nfs/dbraw/zinc/39/19/46/804391946.db2.gz UANRCPPELGPZTE-PHZGNYQRSA-N 1 1 270.376 3.270 20 30 CGEDMO C=CC[NH+]1CCN(Cc2ccc(-c3ccncc3)cc2)CC1 ZINC001140173473 804394508 /nfs/dbraw/zinc/39/45/08/804394508.db2.gz XZLVLPUSEHSXRG-UHFFFAOYSA-N 1 1 293.414 3.052 20 30 CGEDMO C=CC[NH+]1CCN(Cc2cccc(-c3nccs3)c2)CC1 ZINC001140335485 804415741 /nfs/dbraw/zinc/41/57/41/804415741.db2.gz YUHSDAIMKODXLO-UHFFFAOYSA-N 1 1 299.443 3.114 20 30 CGEDMO C=CCN1CC[NH+](Cc2cccc(-c3nccs3)c2)CC1 ZINC001140335485 804415746 /nfs/dbraw/zinc/41/57/46/804415746.db2.gz YUHSDAIMKODXLO-UHFFFAOYSA-N 1 1 299.443 3.114 20 30 CGEDMO N#Cc1oc2ccccc2c1Nc1ccc[nH+]c1N ZINC001212393955 815016339 /nfs/dbraw/zinc/01/63/39/815016339.db2.gz TXPNZBVBDGWSNK-UHFFFAOYSA-N 1 1 250.261 3.025 20 30 CGEDMO CCCCCCCC[C@H](CCC)[N@H+]1CC[C@@H](O)[C@H](N)C1 ZINC001246572972 804419046 /nfs/dbraw/zinc/41/90/46/804419046.db2.gz LPFRARYBARXQJA-GVDBMIGSSA-N 1 1 284.488 3.300 20 30 CGEDMO CCCCCCCC[C@H](CCC)N1CC[C@@H](O)[C@H]([NH3+])C1 ZINC001246572972 804419050 /nfs/dbraw/zinc/41/90/50/804419050.db2.gz LPFRARYBARXQJA-GVDBMIGSSA-N 1 1 284.488 3.300 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccc(C(=O)OC)s1 ZINC001140524247 804450440 /nfs/dbraw/zinc/45/04/40/804450440.db2.gz ZJMCYCNBQYKASW-UHFFFAOYSA-N 1 1 267.394 3.323 20 30 CGEDMO C[N@H+](Cc1ccc(Cl)cc1)Cc1ccc(C#N)nc1 ZINC001140543475 804457674 /nfs/dbraw/zinc/45/76/74/804457674.db2.gz ATGUOTQDWUFHKJ-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO C[N@@H+](Cc1ccc(Cl)cc1)Cc1ccc(C#N)nc1 ZINC001140543475 804457677 /nfs/dbraw/zinc/45/76/77/804457677.db2.gz ATGUOTQDWUFHKJ-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCCC3(CC(F)C3)CC2)cn1 ZINC001140546131 804458102 /nfs/dbraw/zinc/45/81/02/804458102.db2.gz VCGDSMSRTJTLFP-UHFFFAOYSA-N 1 1 273.355 3.057 20 30 CGEDMO CC(C)(C#N)c1ccc(Nc2ccc[nH+]c2N)cc1 ZINC001212402101 815019731 /nfs/dbraw/zinc/01/97/31/815019731.db2.gz RSWYAURQYCCONT-UHFFFAOYSA-N 1 1 252.321 3.209 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2Cl)CC[C@@]1(C)O ZINC001140599773 804470875 /nfs/dbraw/zinc/47/08/75/804470875.db2.gz QLTNWFAHMVQEHP-BLLLJJGKSA-N 1 1 292.810 3.195 20 30 CGEDMO N#Cc1ccc(Cl)c(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC001140600011 804471860 /nfs/dbraw/zinc/47/18/60/804471860.db2.gz ZPHUUWLAVYANLV-CZUORRHYSA-N 1 1 290.794 3.213 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2Cl)CC[C@]1(C)O ZINC001140599774 804471989 /nfs/dbraw/zinc/47/19/89/804471989.db2.gz QLTNWFAHMVQEHP-LRDDRELGSA-N 1 1 292.810 3.195 20 30 CGEDMO C=C1C[C@@H]2CC(N3CCCC[C@]34CC[NH2+]C4)C[C@H](C1)C2 ZINC001246646385 804474134 /nfs/dbraw/zinc/47/41/34/804474134.db2.gz ZIBILORXRSNAFD-UJJTZGENSA-N 1 1 274.452 3.339 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(C(=O)NC(C)C)cc1 ZINC001140619616 804476558 /nfs/dbraw/zinc/47/65/58/804476558.db2.gz ZFQHOJRDAKHPBQ-UHFFFAOYSA-N 1 1 274.408 3.223 20 30 CGEDMO C=CCC[N@H+](Cc1ccc(CO)o1)Cc1ccccc1 ZINC001140682199 804489191 /nfs/dbraw/zinc/48/91/91/804489191.db2.gz ZWNHJQKWKHFZOO-UHFFFAOYSA-N 1 1 271.360 3.350 20 30 CGEDMO C[N@@H+](Cc1ccccc1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140751473 804504743 /nfs/dbraw/zinc/50/47/43/804504743.db2.gz XYKNMLHLPPLLNB-UHFFFAOYSA-N 1 1 272.298 3.468 20 30 CGEDMO CCCC[N@@H+](CC)Cc1cc(F)c(C#N)c(F)c1 ZINC001140751063 804505234 /nfs/dbraw/zinc/50/52/34/804505234.db2.gz ICPNISZWLUKABF-UHFFFAOYSA-N 1 1 252.308 3.458 20 30 CGEDMO COC(C)(C)[C@H]1CCC[N@H+]1Cc1cc(F)c(C#N)c(F)c1 ZINC001140753372 804505815 /nfs/dbraw/zinc/50/58/15/804505815.db2.gz FRUQUEUZDOKZTE-OAHLLOKOSA-N 1 1 294.345 3.226 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CCNC[C@@H]1c1ccccc1F ZINC001246800636 804521319 /nfs/dbraw/zinc/52/13/19/804521319.db2.gz ZRXMSVLCMQJSLV-CZUORRHYSA-N 1 1 262.372 3.127 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCNC[C@@H]1c1ccccc1F ZINC001246800636 804521324 /nfs/dbraw/zinc/52/13/24/804521324.db2.gz ZRXMSVLCMQJSLV-CZUORRHYSA-N 1 1 262.372 3.127 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@]3(CCOC3)C2)c1Cl ZINC001140807743 804522728 /nfs/dbraw/zinc/52/27/28/804522728.db2.gz DFZNVOBAYGFBNM-MRXNPFEDSA-N 1 1 290.794 3.214 20 30 CGEDMO COC[C@H]1CCCC[N@H+]1Cc1cccc(C#N)c1Cl ZINC001140808750 804525425 /nfs/dbraw/zinc/52/54/25/804525425.db2.gz ZEADBELANJYOTO-CQSZACIVSA-N 1 1 278.783 3.213 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cnccc1C(F)(F)F ZINC001140918167 804547883 /nfs/dbraw/zinc/54/78/83/804547883.db2.gz DPMUJCIGOBREJH-UHFFFAOYSA-N 1 1 256.271 3.274 20 30 CGEDMO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+]1C1CCC(C#N)CC1 ZINC001256971790 807021023 /nfs/dbraw/zinc/02/10/23/807021023.db2.gz MEENJSQVGCUQTB-NRXISQOPSA-N 1 1 292.423 3.265 20 30 CGEDMO CC(C)(C)OC(=O)C[C@H]1CC[N@H+](C2CCC(C#N)CC2)C1 ZINC001256971866 807021551 /nfs/dbraw/zinc/02/15/51/807021551.db2.gz NISDBLFVHYMGGM-SHARSMKWSA-N 1 1 292.423 3.122 20 30 CGEDMO CCCCCCCCC[C@H](C)[N@H+]1CC[C@](N)(C(=O)OC)C1 ZINC001246919326 804600789 /nfs/dbraw/zinc/60/07/89/804600789.db2.gz HHXYNCCMOJMHJL-DOTOQJQBSA-N 1 1 298.471 3.092 20 30 CGEDMO CCCCCCCC[C@H](CC)[N@H+]1C[C@@H]2NC[C@H]2C1 ZINC001246921332 804601665 /nfs/dbraw/zinc/60/16/65/804601665.db2.gz RYQWXPWEKQKMOZ-JYJNAYRXSA-N 1 1 252.446 3.419 20 30 CGEDMO CCCCCCCC[C@H](CC)[N@@H+]1C[C@@H]2NC[C@H]2C1 ZINC001246921332 804601669 /nfs/dbraw/zinc/60/16/69/804601669.db2.gz RYQWXPWEKQKMOZ-JYJNAYRXSA-N 1 1 252.446 3.419 20 30 CGEDMO CCCCCCCC[C@H](CC)[N@H+]1CC[C@](N)(C(=O)OC)C1 ZINC001246924002 804603907 /nfs/dbraw/zinc/60/39/07/804603907.db2.gz LBODVGSRMDNKPS-DOTOQJQBSA-N 1 1 298.471 3.092 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CC[C@@]2(C1)CNCCO2 ZINC001246991044 804631976 /nfs/dbraw/zinc/63/19/76/804631976.db2.gz YDUVKOKAJXEBSE-SJORKVTESA-N 1 1 282.472 3.190 20 30 CGEDMO Cc1onc(-c2ccccc2)c1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC001141992169 804686618 /nfs/dbraw/zinc/68/66/18/804686618.db2.gz FHIFBQVEOQXKJV-QGZVFWFLSA-N 1 1 281.359 3.386 20 30 CGEDMO Cc1onc(-c2ccccc2)c1C[N@H+]1CC[C@](C)(C#N)C1 ZINC001141992169 804686622 /nfs/dbraw/zinc/68/66/22/804686622.db2.gz FHIFBQVEOQXKJV-QGZVFWFLSA-N 1 1 281.359 3.386 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cccc2nn(C)cc21 ZINC001142465500 804724916 /nfs/dbraw/zinc/72/49/16/804724916.db2.gz TZFCQMDASRATII-UHFFFAOYSA-N 1 1 257.381 3.361 20 30 CGEDMO C=CC[N@H+](Cc1cccc2nn(C)cc21)C(C)(C)C ZINC001142468740 804725404 /nfs/dbraw/zinc/72/54/04/804725404.db2.gz PFWAXLKZSPSHQK-UHFFFAOYSA-N 1 1 257.381 3.360 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH3+])c1nc(-c2cccc(Cl)c2C)no1 ZINC001247620507 804780895 /nfs/dbraw/zinc/78/08/95/804780895.db2.gz AUOCIUUUJYSXQC-YMTOWFKASA-N 1 1 275.739 3.058 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH3+])c1nc(-c2ccc(C)c(Cl)c2)no1 ZINC001247620960 804781226 /nfs/dbraw/zinc/78/12/26/804781226.db2.gz CEAYVNBFVJRBEH-QMTHXVAHSA-N 1 1 275.739 3.058 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2ccc(F)c(C)c2F)no1 ZINC001247622127 804782907 /nfs/dbraw/zinc/78/29/07/804782907.db2.gz GLQMSNZEIGAIFY-NSHDSACASA-N 1 1 279.290 3.289 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cc(C(C)=O)ccc2F)no1 ZINC001247622582 804783391 /nfs/dbraw/zinc/78/33/91/804783391.db2.gz OARFQWYUFGQGLV-CYBMUJFWSA-N 1 1 289.310 3.044 20 30 CGEDMO C[N@@H+](Cc1c[nH]c2cc(C#N)ccc12)Cc1cccnc1 ZINC001142912182 804783898 /nfs/dbraw/zinc/78/38/98/804783898.db2.gz XILXPTNPKBJLFZ-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO C[N@H+]1CCC[C@H](CCNc2cccc(F)c2CC#N)C1 ZINC001165299796 806989852 /nfs/dbraw/zinc/98/98/52/806989852.db2.gz DCIYQRGDVITAFT-CYBMUJFWSA-N 1 1 275.371 3.036 20 30 CGEDMO CCC(CC)[N@@H+](C)Cc1c(F)ccc(C#N)c1F ZINC001143173676 804814035 /nfs/dbraw/zinc/81/40/35/804814035.db2.gz CBJJOYQHGYTFES-UHFFFAOYSA-N 1 1 252.308 3.457 20 30 CGEDMO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143171190 804814384 /nfs/dbraw/zinc/81/43/84/804814384.db2.gz SXRGBTNHDBJKQT-WDEREUQCSA-N 1 1 264.319 3.457 20 30 CGEDMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143171190 804814391 /nfs/dbraw/zinc/81/43/91/804814391.db2.gz SXRGBTNHDBJKQT-WDEREUQCSA-N 1 1 264.319 3.457 20 30 CGEDMO CC(C)[C@@H]1CCC[N@H+]1Cc1c(F)ccc(C#N)c1F ZINC001143174266 804816491 /nfs/dbraw/zinc/81/64/91/804816491.db2.gz OLFHLBUPRQEFJT-AWEZNQCLSA-N 1 1 264.319 3.457 20 30 CGEDMO C[C@@]1(CO)CCC[N@H+](Cc2c(Cl)cccc2C#N)CC1 ZINC001143716257 804886916 /nfs/dbraw/zinc/88/69/16/804886916.db2.gz JJXVHUCWBLACEN-MRXNPFEDSA-N 1 1 292.810 3.196 20 30 CGEDMO C[C@@]1(CO)CCC[N@@H+](Cc2c(Cl)cccc2C#N)CC1 ZINC001143716257 804886925 /nfs/dbraw/zinc/88/69/25/804886925.db2.gz JJXVHUCWBLACEN-MRXNPFEDSA-N 1 1 292.810 3.196 20 30 CGEDMO Cc1c(F)cc(F)cc1C[NH+]1CCC(C#N)CC1 ZINC001143757978 804890911 /nfs/dbraw/zinc/89/09/11/804890911.db2.gz SYBTZURZWHMGLA-UHFFFAOYSA-N 1 1 250.292 3.009 20 30 CGEDMO CC(C)(C)C[C@H]([NH3+])c1nc(-c2cc(F)cc(C#N)c2)no1 ZINC001248188838 804892017 /nfs/dbraw/zinc/89/20/17/804892017.db2.gz DTVRFKHBUFAWFQ-LBPRGKRZSA-N 1 1 288.326 3.183 20 30 CGEDMO C=C(C)C[N@H+](CC)C1CCC(CC(=O)OC)CC1 ZINC001256986428 807024378 /nfs/dbraw/zinc/02/43/78/807024378.db2.gz KIJHUWNQPYHDLX-UHFFFAOYSA-N 1 1 253.386 3.006 20 30 CGEDMO N#Cc1ccc(C2CCC([N@H+]3CC[C@@]34CCOC4)CC2)cc1 ZINC001257022919 807030109 /nfs/dbraw/zinc/03/01/09/807030109.db2.gz RSOMZKLUMTWGMV-ACBHZAAOSA-N 1 1 296.414 3.449 20 30 CGEDMO C[C@H]1C[N@H+](Cc2ccc(C#N)cn2)Cc2ccccc21 ZINC001144154022 804944928 /nfs/dbraw/zinc/94/49/28/804944928.db2.gz VVDPWBFGOLGXHN-ZDUSSCGKSA-N 1 1 263.344 3.073 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cn2)Cc2ccccc21 ZINC001144154022 804944932 /nfs/dbraw/zinc/94/49/32/804944932.db2.gz VVDPWBFGOLGXHN-ZDUSSCGKSA-N 1 1 263.344 3.073 20 30 CGEDMO C=CCn1cnn(C[N@@H+](CCCC)[C@H](C)CC)c1=S ZINC001248745849 804980914 /nfs/dbraw/zinc/98/09/14/804980914.db2.gz BSRTWIOABSGTLY-CYBMUJFWSA-N 1 1 282.457 3.458 20 30 CGEDMO C=CCn1cnn(C[N@H+](CCCC)[C@H](C)CC)c1=S ZINC001248745849 804980921 /nfs/dbraw/zinc/98/09/21/804980921.db2.gz BSRTWIOABSGTLY-CYBMUJFWSA-N 1 1 282.457 3.458 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)cc1 ZINC001144573988 805009635 /nfs/dbraw/zinc/00/96/35/805009635.db2.gz XEGLHOXSXBTGBA-CYBMUJFWSA-N 1 1 253.267 3.052 20 30 CGEDMO C#Cc1ccc(C[N@@H+](C)CCc2cccc(F)c2)cc1 ZINC001144579103 805009742 /nfs/dbraw/zinc/00/97/42/805009742.db2.gz YPWFOUROGGXJFQ-UHFFFAOYSA-N 1 1 267.347 3.482 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC[C@H](Oc3ncccc3C)C2)cc1 ZINC001144581726 805010450 /nfs/dbraw/zinc/01/04/50/805010450.db2.gz ZSZCXBIAXFCJIO-SFHVURJKSA-N 1 1 292.382 3.025 20 30 CGEDMO CC(C)CCC[C@H]([NH3+])c1nc(-c2cccc(C#N)c2)no1 ZINC001248890241 805035785 /nfs/dbraw/zinc/03/57/85/805035785.db2.gz MCMXTKXTQTURBF-AWEZNQCLSA-N 1 1 284.363 3.434 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)C3CCCC3)C2)C1 ZINC001146861825 805094335 /nfs/dbraw/zinc/09/43/35/805094335.db2.gz XHYRDWSJNWAEGS-HNNXBMFYSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC2(C1)CC[N@H+](CC=C(C)C)C2 ZINC001147652501 805141639 /nfs/dbraw/zinc/14/16/39/805141639.db2.gz MNFVDQWXEBFYRS-UHFFFAOYSA-N 1 1 290.451 3.089 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249426567 805146826 /nfs/dbraw/zinc/14/68/26/805146826.db2.gz XOJQCDACFCWAMZ-GFCCVEGCSA-N 1 1 253.349 3.414 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@@H](C)C(C)(C)C)C2)C1 ZINC001147787939 805149830 /nfs/dbraw/zinc/14/98/30/805149830.db2.gz NTOYXTJOHNXJLJ-OAHLLOKOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)CC3(C)CC3)C2)C1 ZINC001147911481 805157038 /nfs/dbraw/zinc/15/70/38/805157038.db2.gz ZWEMQUSHNXOTQS-HNNXBMFYSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C/C(C)=C/CC(=O)N1CC2(C1)CC[N@H+](CCC(=C)C)C2 ZINC001148088375 805162826 /nfs/dbraw/zinc/16/28/26/805162826.db2.gz LWNHOFIJLIENEI-OMCISZLKSA-N 1 1 288.435 3.009 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(CN(C(=O)[C@H](C)CC(=C)C)C2)C1 ZINC001148130135 805164565 /nfs/dbraw/zinc/16/45/65/805164565.db2.gz KWUDDHLXWGJPAE-MRXNPFEDSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)C(C)(C)CCC)C2)C1 ZINC001148188246 805166635 /nfs/dbraw/zinc/16/66/35/805166635.db2.gz HWMCNGVLQLBRLM-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC2(C1)CC[N@H+](C[C@@H](C)CC)C2 ZINC001148364297 805176023 /nfs/dbraw/zinc/17/60/23/805176023.db2.gz XVGUIPUFLYOOLJ-HNNXBMFYSA-N 1 1 292.467 3.169 20 30 CGEDMO N#Cc1ccc(Nc2cc[nH+]cc2C(F)(F)F)cc1C#N ZINC001249592259 805184958 /nfs/dbraw/zinc/18/49/58/805184958.db2.gz AWDXQUNWBFGHOI-UHFFFAOYSA-N 1 1 288.232 3.009 20 30 CGEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)C[C@@H](C)CC(C)C)C2)C1 ZINC001148598353 805198775 /nfs/dbraw/zinc/19/87/75/805198775.db2.gz CQQQHRGZMFCOPP-INIZCTEOSA-N 1 1 292.467 3.169 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)c1F ZINC001249681574 805208984 /nfs/dbraw/zinc/20/89/84/805208984.db2.gz WWESHDYZPNJFIU-JSGCOSHPSA-N 1 1 258.340 3.319 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)/C=C/c1ccco1 ZINC001151605994 805300617 /nfs/dbraw/zinc/30/06/17/805300617.db2.gz SKGAWTQHCBWYDK-AUECHBEKSA-N 1 1 290.407 3.086 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(Cl)o1 ZINC001151880518 805319291 /nfs/dbraw/zinc/31/92/91/805319291.db2.gz WWVCTDNVKYQWJR-GFCCVEGCSA-N 1 1 298.814 3.339 20 30 CGEDMO C=CCCC(=O)NC[C@@H](C)[N@@H+](CC)CC1=CCCCC1 ZINC001152352628 805346248 /nfs/dbraw/zinc/34/62/48/805346248.db2.gz JAQVBMBTMSBQSY-OAHLLOKOSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)C(C)C ZINC001152340421 805346813 /nfs/dbraw/zinc/34/68/13/805346813.db2.gz SDFRMBLPWDMDMQ-LSDHHAIUSA-N 1 1 268.445 3.071 20 30 CGEDMO CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)c1cocn1 ZINC001152420269 805349565 /nfs/dbraw/zinc/34/95/65/805349565.db2.gz NVFSKSKUEAZKGM-CQSZACIVSA-N 1 1 295.427 3.085 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)/C=C\C(C)(C)C ZINC001152426812 805350156 /nfs/dbraw/zinc/35/01/56/805350156.db2.gz VFNAKHPTDLUBCT-ZHUYAKLQSA-N 1 1 280.456 3.382 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1cscc1C ZINC001152611857 805358245 /nfs/dbraw/zinc/35/82/45/805358245.db2.gz NEABFRFHIXTMFR-CYBMUJFWSA-N 1 1 280.437 3.073 20 30 CGEDMO C#CCCCC(=O)NC[C@@H](C)[N@@H+](CC)CC1CCCCC1 ZINC001153012031 805379490 /nfs/dbraw/zinc/37/94/90/805379490.db2.gz BFMAASPPJGUHOW-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C#CCCCC(=O)NC[C@@H](C)[N@@H+](CC)CCC(C)(C)C ZINC001153025389 805380926 /nfs/dbraw/zinc/38/09/26/805380926.db2.gz UOFOZRRYPWMBSW-OAHLLOKOSA-N 1 1 280.456 3.053 20 30 CGEDMO CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)C#CC(C)C ZINC001153213879 805387926 /nfs/dbraw/zinc/38/79/26/805387926.db2.gz FTIXBOFBJHTSBQ-MRXNPFEDSA-N 1 1 280.456 3.053 20 30 CGEDMO C=CCC(CC=C)C(=O)NC[C@@H](C)[N@H+](CC)CCCC ZINC001153570256 805402763 /nfs/dbraw/zinc/40/27/63/805402763.db2.gz JLZGZTXJDZNSSR-OAHLLOKOSA-N 1 1 280.456 3.382 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H](C)[N@@H+](CC)C/C=C\Cl ZINC001153608141 805407280 /nfs/dbraw/zinc/40/72/80/805407280.db2.gz AEQYGILLUSUWJS-LJTDUEICSA-N 1 1 286.847 3.168 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)C(CC)CC ZINC001154087721 805432759 /nfs/dbraw/zinc/43/27/59/805432759.db2.gz OTQUTOBJQVPGNR-HUUCEWRRSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)CC1(C)CCCCC1 ZINC001154257638 805444885 /nfs/dbraw/zinc/44/48/85/805444885.db2.gz OMTFTEUOCHULHW-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CCCCCCC(=O)NC[C@@H](C)[N@H+](CC)CCCC ZINC001154609315 805467177 /nfs/dbraw/zinc/46/71/77/805467177.db2.gz CCEDZVKWKAKSIV-MRXNPFEDSA-N 1 1 280.456 3.197 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)C1CC1 ZINC001154768771 805483189 /nfs/dbraw/zinc/48/31/89/805483189.db2.gz ZKWOXTDHDNLHMC-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1cc[nH]c1C(C)C ZINC001154801231 805488916 /nfs/dbraw/zinc/48/89/16/805488916.db2.gz XNRGAKKPHLJTHZ-CQSZACIVSA-N 1 1 291.439 3.154 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(CCC)cc1 ZINC001154909061 805507177 /nfs/dbraw/zinc/50/71/77/805507177.db2.gz KBDOFLAMCHGXIR-OAHLLOKOSA-N 1 1 288.435 3.265 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)CCC2CC2)CC1 ZINC001155028182 805526064 /nfs/dbraw/zinc/52/60/64/805526064.db2.gz QMGYHGVPWNUEKB-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H](C)[N@@H+](CC)C/C=C/Cl)CCC1 ZINC001155051677 805529388 /nfs/dbraw/zinc/52/93/88/805529388.db2.gz YIRRBFMFYCIIBM-DPQIITEBSA-N 1 1 298.858 3.312 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@H]2CCO[C@H](c3ccccc3)C2)C1 ZINC001256823766 806987721 /nfs/dbraw/zinc/98/77/21/806987721.db2.gz LDNLVYPBJHAFKP-NJAFHUGGSA-N 1 1 269.388 3.252 20 30 CGEDMO N#CC1CCC([N@@H+]2CCCC(F)(F)[C@H](F)C2)CC1 ZINC001256963719 807017545 /nfs/dbraw/zinc/01/75/45/807017545.db2.gz LGSOGSIWYGCDQG-HTAVTVPLSA-N 1 1 260.303 3.138 20 30 CGEDMO C=C1CC=C(F)C=C1[NH2+]C1CCC(CC(=O)OC)CC1 ZINC001256976590 807022193 /nfs/dbraw/zinc/02/21/93/807022193.db2.gz IWSUTUOKMHJOBQ-UHFFFAOYSA-N 1 1 279.355 3.395 20 30 CGEDMO CN(C)CC[N@@H+](C)C1CCC(c2ccc(C#N)cc2)CC1 ZINC001257015271 807027814 /nfs/dbraw/zinc/02/78/14/807027814.db2.gz HPMFECDFPKCZEZ-UHFFFAOYSA-N 1 1 285.435 3.078 20 30 CGEDMO C=CCOC(=O)[C@H](Cc1ccccc1)[NH2+][C@H](CC)CCC ZINC001257246087 807066826 /nfs/dbraw/zinc/06/68/26/807066826.db2.gz BKVOKZZXTSUWEC-SJORKVTESA-N 1 1 289.419 3.495 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@H+]([C@H](CC)CCCC)C2)C1=O ZINC001257421172 807146985 /nfs/dbraw/zinc/14/69/85/807146985.db2.gz UFRCGGHOBMWWCN-AEFFLSMTSA-N 1 1 292.467 3.456 20 30 CGEDMO N#C[C@H]1CC[N@H+](C2CCC(OCc3ccccc3)CC2)C1 ZINC001257834054 807223506 /nfs/dbraw/zinc/22/35/06/807223506.db2.gz MMJOWSOTUFPJNN-WWDZGPRUSA-N 1 1 284.403 3.360 20 30 CGEDMO CCc1ccc(NCCc2ccc(C#N)cc2)[nH+]c1 ZINC001167679610 807226231 /nfs/dbraw/zinc/22/62/31/807226231.db2.gz WNKRLNWIFSLPKW-UHFFFAOYSA-N 1 1 251.333 3.170 20 30 CGEDMO C=C1C[C@@H]2CC([NH2+][C@@H](C)C(=O)OCCCC)C[C@H](C1)C2 ZINC001257886964 807238705 /nfs/dbraw/zinc/23/87/05/807238705.db2.gz ROWCPYHXKXKNRY-LSVZVQIISA-N 1 1 279.424 3.443 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCCNc1cc(Cl)cnc1C#N ZINC001167752588 807242195 /nfs/dbraw/zinc/24/21/95/807242195.db2.gz GHVCPJHMPOCHJO-LBPRGKRZSA-N 1 1 292.814 3.283 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CC[C@](O)(C(F)(F)F)C3)C[C@H](C1)C2 ZINC001257892344 807243028 /nfs/dbraw/zinc/24/30/28/807243028.db2.gz XBICQFAVBKCLSV-QNMSZWNNSA-N 1 1 289.341 3.120 20 30 CGEDMO C[C@@H]1CC([NH2+]CCCC#N)C[C@@H](C)N1Cc1ccccc1 ZINC001168021538 807300647 /nfs/dbraw/zinc/30/06/47/807300647.db2.gz PUNWMOXNXCGFKC-HZPDHXFCSA-N 1 1 285.435 3.321 20 30 CGEDMO CCCCCCCCC[C@H](C)[N@@H+](C)CC(=O)NC ZINC001258228814 807377816 /nfs/dbraw/zinc/37/78/16/807377816.db2.gz KGHMXUYIKULFIA-AWEZNQCLSA-N 1 1 256.434 3.193 20 30 CGEDMO CCCCCCCCC[C@@H](C)[N@H+]1CCOC[C@@H](O)C1 ZINC001258228229 807377103 /nfs/dbraw/zinc/37/71/03/807377103.db2.gz FDBHMJCNWAWMSJ-CVEARBPZSA-N 1 1 271.445 3.209 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+]([C@H]2CCc3cc(F)ccc3C2)C1 ZINC001168441800 807416347 /nfs/dbraw/zinc/41/63/47/807416347.db2.gz QTJHGAMMYABNFU-GUYCJALGSA-N 1 1 272.367 3.309 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)C[C@@H](CC(C)C)OC ZINC001168579412 807451078 /nfs/dbraw/zinc/45/10/78/807451078.db2.gz IXLRVRPTGRWVAT-MRXNPFEDSA-N 1 1 265.397 3.371 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+]([C@@H]2Cc3cccc(Cl)c3C2)C1 ZINC001168733893 807498784 /nfs/dbraw/zinc/49/87/84/807498784.db2.gz DDRBKMWZNVDSBY-GXTWGEPZSA-N 1 1 274.795 3.433 20 30 CGEDMO C=CCn1ccc2c1nc[nH+]c2NCc1cc(C(C)C)no1 ZINC001168823305 807520773 /nfs/dbraw/zinc/52/07/73/807520773.db2.gz LWIKBGOUAOLMIB-UHFFFAOYSA-N 1 1 297.362 3.341 20 30 CGEDMO C#CCOCC[N@H+](C)CCc1c(Cl)cccc1Cl ZINC001168932794 807540419 /nfs/dbraw/zinc/54/04/19/807540419.db2.gz LZOWWONBNWTTIL-UHFFFAOYSA-N 1 1 286.202 3.118 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH2+][C@H]1C[C@H](C)CC(C)(C)C1)C(=O)OCC ZINC001258689546 807545637 /nfs/dbraw/zinc/54/56/37/807545637.db2.gz GLQIYFHECKSZBA-QDEZUTFSSA-N 1 1 279.424 3.299 20 30 CGEDMO CCCCCCCC[N@@H+](CCN)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168987262 807546706 /nfs/dbraw/zinc/54/67/06/807546706.db2.gz HUCJHZRNDITPMM-CVEARBPZSA-N 1 1 299.459 3.053 20 30 CGEDMO CCCCCCC[C@@H](CC(C)C)[NH2+][C@@](N)(CC)CO ZINC001258715942 807566716 /nfs/dbraw/zinc/56/67/16/807566716.db2.gz OQMYUIJVXVTJJI-HOTGVXAUSA-N 1 1 272.477 3.409 20 30 CGEDMO C=CCC[C@H](C)[N@H+](Cc1ccccc1)C[C@@H](C)C[NH3+] ZINC001258721364 807570042 /nfs/dbraw/zinc/57/00/42/807570042.db2.gz TZKNARRKLATWIZ-HOTGVXAUSA-N 1 1 260.425 3.438 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC001258729692 807576279 /nfs/dbraw/zinc/57/62/79/807576279.db2.gz XGHXFDGPWYWNBT-RRFJBIMHSA-N 1 1 294.439 3.282 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](Cc1cccnc1)C1CCOCC1 ZINC001258735088 807580268 /nfs/dbraw/zinc/58/02/68/807580268.db2.gz OHBLHHFIFOUHHM-OAHLLOKOSA-N 1 1 274.408 3.417 20 30 CGEDMO CCCN1CCC([NH2+]C23CCC(C#N)(CC2)CC3)CC1 ZINC001258768279 807604422 /nfs/dbraw/zinc/60/44/22/807604422.db2.gz GTWOJFRSEXOZIP-UHFFFAOYSA-N 1 1 275.440 3.067 20 30 CGEDMO C=CCOc1ccccc1[C@@H](C)[NH2+]C1CCN(CC)CC1 ZINC001169233553 807611190 /nfs/dbraw/zinc/61/11/90/807611190.db2.gz TURXNYMOQHIDHC-OAHLLOKOSA-N 1 1 288.435 3.386 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)CCc1c(F)cccc1Cl ZINC001169832343 807713470 /nfs/dbraw/zinc/71/34/70/807713470.db2.gz FROPTPCYODJVFG-UHFFFAOYSA-N 1 1 298.833 3.461 20 30 CGEDMO C=CC[N@@H+](C)CCN(CC)CCc1c(F)cccc1Cl ZINC001169832343 807713475 /nfs/dbraw/zinc/71/34/75/807713475.db2.gz FROPTPCYODJVFG-UHFFFAOYSA-N 1 1 298.833 3.461 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)CCc1c(F)cccc1Cl ZINC001169832343 807713478 /nfs/dbraw/zinc/71/34/78/807713478.db2.gz FROPTPCYODJVFG-UHFFFAOYSA-N 1 1 298.833 3.461 20 30 CGEDMO C[NH+](C)[C@@H]1CCCC[C@H]1N[C@@H]1CCc2ccc(C#N)cc21 ZINC001261201870 807714701 /nfs/dbraw/zinc/71/47/01/807714701.db2.gz QHSCTYXYOHQQAG-KZNAEPCWSA-N 1 1 283.419 3.008 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC001169970252 807731960 /nfs/dbraw/zinc/73/19/60/807731960.db2.gz HGDNDVYHSPVQOS-QWHCGFSZSA-N 1 1 264.344 3.029 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2nc3c(s2)C[C@@H](C)CC3)C1 ZINC001261560595 807757692 /nfs/dbraw/zinc/75/76/92/807757692.db2.gz VLLMCGQVILUWSS-QWHCGFSZSA-N 1 1 274.433 3.113 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2nc3c(s2)C[C@@H](C)CC3)C1 ZINC001261560595 807757697 /nfs/dbraw/zinc/75/76/97/807757697.db2.gz VLLMCGQVILUWSS-QWHCGFSZSA-N 1 1 274.433 3.113 20 30 CGEDMO C=CCCCNc1[nH+]cnc2[nH]c3c(c21)CCCC3 ZINC001170296176 807818226 /nfs/dbraw/zinc/81/82/26/807818226.db2.gz CHZAIDGVGXNDHA-UHFFFAOYSA-N 1 1 256.353 3.215 20 30 CGEDMO CCCNc1nc(NCC#Cc2ccccc2)[nH+]cc1C ZINC001170424104 807839370 /nfs/dbraw/zinc/83/93/70/807839370.db2.gz PLIGWRHNIYJMBW-UHFFFAOYSA-N 1 1 280.375 3.071 20 30 CGEDMO SCCCNc1[nH+]ccc2c3c([nH]c21)CCCC3 ZINC001171003460 807957858 /nfs/dbraw/zinc/95/78/58/807957858.db2.gz BQXUBIXHHHWPIQ-UHFFFAOYSA-N 1 1 261.394 3.174 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+]([C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171056650 807975012 /nfs/dbraw/zinc/97/50/12/807975012.db2.gz MCEXWYIWAVINNF-XJKSGUPXSA-N 1 1 274.795 3.433 20 30 CGEDMO C[C@]1(C#N)CC[N@H+]([C@H]2CCc3c(Cl)cccc3C2)C1 ZINC001171056650 807975013 /nfs/dbraw/zinc/97/50/13/807975013.db2.gz MCEXWYIWAVINNF-XJKSGUPXSA-N 1 1 274.795 3.433 20 30 CGEDMO Cn1c[nH+]c2cc(NC3=CC[C@@H](C#N)CC3)ccc21 ZINC001212862247 815163908 /nfs/dbraw/zinc/16/39/08/815163908.db2.gz FWXKLIMONLTLMY-LLVKDONJSA-N 1 1 252.321 3.193 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@](C)(F)CCCC ZINC001263801723 808007056 /nfs/dbraw/zinc/00/70/56/808007056.db2.gz BSGLRHAJBSEARU-DOTOQJQBSA-N 1 1 298.446 3.404 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@H](C#N)CC1 ZINC001171224698 808012135 /nfs/dbraw/zinc/01/21/35/808012135.db2.gz UJLZNTLWRQDVIR-GJZGRUSLSA-N 1 1 267.376 3.115 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCOc2ccccc2C1 ZINC001171222018 808012783 /nfs/dbraw/zinc/01/27/83/808012783.db2.gz ZMHXIQMHVAJMJU-OAHLLOKOSA-N 1 1 292.382 3.384 20 30 CGEDMO Cc1ccc(C[N@H+](C)[C@@H](C)Cc2cccc(C#N)c2)cn1 ZINC001171230674 808015520 /nfs/dbraw/zinc/01/55/20/808015520.db2.gz XHHAFCVYGRXQNL-HNNXBMFYSA-N 1 1 279.387 3.325 20 30 CGEDMO CC(C)[N@@H+]([C@H](C)Cc1cccc(C#N)c1)C1CCOCC1 ZINC001171232965 808016016 /nfs/dbraw/zinc/01/60/16/808016016.db2.gz YAABREISLXHFQP-OAHLLOKOSA-N 1 1 286.419 3.379 20 30 CGEDMO COc1ccc(Cl)c2c1C[C@@H]([N@H+](C)CCC#N)CC2 ZINC001171316174 808026154 /nfs/dbraw/zinc/02/61/54/808026154.db2.gz KULOGESLPDOOAY-NSHDSACASA-N 1 1 278.783 3.051 20 30 CGEDMO COc1ccc(Cl)c2c1C[C@@H]([N@@H+](C)CCC#N)CC2 ZINC001171316174 808026164 /nfs/dbraw/zinc/02/61/64/808026164.db2.gz KULOGESLPDOOAY-NSHDSACASA-N 1 1 278.783 3.051 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@@H+](C/C=C/Cl)[C@@H]1CC ZINC001264060450 808031413 /nfs/dbraw/zinc/03/14/13/808031413.db2.gz BOUCSLNUOIRBOW-UVIYIIQCSA-N 1 1 298.858 3.310 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171379816 808038675 /nfs/dbraw/zinc/03/86/75/808038675.db2.gz HGJNOOIAXCPSOO-AWEZNQCLSA-N 1 1 278.346 3.448 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@H+](CC(CC)CC)[C@@H]1C ZINC001264144173 808040303 /nfs/dbraw/zinc/04/03/03/808040303.db2.gz DRPQEZJHMOJQMI-ZBFHGGJFSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C1CC(C)(C(=O)N(C)C[C@H]2CC[N@H+]2CCCCCF)C1 ZINC001264370872 808060742 /nfs/dbraw/zinc/06/07/42/808060742.db2.gz LNIDYFNDRKYYLJ-OAHLLOKOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C[C@@H](CC)C(C)C)[C@H]1CC ZINC001264623789 808081353 /nfs/dbraw/zinc/08/13/53/808081353.db2.gz OXSOPVPDARYHKR-OWCLPIDISA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](C)CCC ZINC001264738789 808089964 /nfs/dbraw/zinc/08/99/64/808089964.db2.gz HAXGSTRGNCHERW-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C(C)C)CC(C)(C)C1 ZINC001264753199 808091155 /nfs/dbraw/zinc/09/11/55/808091155.db2.gz CZIYVTFQNRRKGQ-CABCVRRESA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[C@@H](C)C1CC1 ZINC001264745760 808091407 /nfs/dbraw/zinc/09/14/07/808091407.db2.gz SKIBYZHMRDLBPH-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCCNC(=O)C(C)(C)C1CCC1 ZINC001265016712 808102984 /nfs/dbraw/zinc/10/29/84/808102984.db2.gz GQKODCSBZVCXCC-UHFFFAOYSA-N 1 1 280.456 3.217 20 30 CGEDMO CC(C)[C@@](C)(C#N)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171725219 808126904 /nfs/dbraw/zinc/12/69/04/808126904.db2.gz HYWDAHVCAHPNPQ-KBAYOESNSA-N 1 1 285.435 3.177 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)c2cccs2)C1 ZINC001265303590 808128353 /nfs/dbraw/zinc/12/83/53/808128353.db2.gz LEIUZCWYLNRZIK-UONOGXRCSA-N 1 1 292.448 3.008 20 30 CGEDMO C[C@@H]1C[C@@H](NC2(CC#N)CCCC2)C[N@H+]1Cc1ccccc1 ZINC001171747067 808129844 /nfs/dbraw/zinc/12/98/44/808129844.db2.gz WLMSYWYAFSUSGF-SJLPKXTDSA-N 1 1 297.446 3.465 20 30 CGEDMO C[C@@H]1C[C@@H]([NH2+]C2(CC#N)CCCC2)CN1Cc1ccccc1 ZINC001171747067 808129848 /nfs/dbraw/zinc/12/98/48/808129848.db2.gz WLMSYWYAFSUSGF-SJLPKXTDSA-N 1 1 297.446 3.465 20 30 CGEDMO CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](C)CCCC)C1 ZINC001265388506 808137985 /nfs/dbraw/zinc/13/79/85/808137985.db2.gz GDEDGSIOAANAIA-IAGOWNOFSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001265394505 808138894 /nfs/dbraw/zinc/13/88/94/808138894.db2.gz CVISNLSRLOOMGK-CVEARBPZSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@H](C(=O)OC)[C@@H]2CCCC[C@@H]21 ZINC001171810323 808146285 /nfs/dbraw/zinc/14/62/85/808146285.db2.gz PWJRVGBLVAMKJT-JYJNAYRXSA-N 1 1 279.424 3.396 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(F)c(F)c2)C1 ZINC001171848025 808148913 /nfs/dbraw/zinc/14/89/13/808148913.db2.gz VUOXCAURXIFSQY-GFCCVEGCSA-N 1 1 294.345 3.191 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]2C[N@@H+](CC=C(C)C)CC[C@@H]21 ZINC001265523451 808151283 /nfs/dbraw/zinc/15/12/83/808151283.db2.gz LDNUOACHCHXLEE-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[C@H]([NH2+][C@H]1CCCC12CCCCC2)C(=O)OC ZINC001171932227 808155396 /nfs/dbraw/zinc/15/53/96/808155396.db2.gz WFQFSHVAPJNNBY-KBPBESRZSA-N 1 1 265.397 3.197 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C2CC2)C1 ZINC001265588598 808158472 /nfs/dbraw/zinc/15/84/72/808158472.db2.gz HNLQSBPSSISXKU-HNNXBMFYSA-N 1 1 292.467 3.217 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@H]1CCN(C2CC2)C(=O)C1 ZINC001172021743 808165970 /nfs/dbraw/zinc/16/59/70/808165970.db2.gz KIVGQGAEKHZOEK-HNNXBMFYSA-N 1 1 266.429 3.042 20 30 CGEDMO CN(CCC#N)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172079970 808170473 /nfs/dbraw/zinc/17/04/73/808170473.db2.gz RMRBLCOWYDZRQL-BWTSREIZSA-N 1 1 297.446 3.418 20 30 CGEDMO CCCCCCC[N@@H+](CC)[C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172178740 808190061 /nfs/dbraw/zinc/19/00/61/808190061.db2.gz OCFCVIWGFPTBFV-CVEARBPZSA-N 1 1 280.456 3.432 20 30 CGEDMO C=C(C)C[N@@H+](C)CCCNC(=O)c1ccc(C)c(Cl)c1 ZINC001265917126 808193324 /nfs/dbraw/zinc/19/33/24/808193324.db2.gz CVLGIQMEVLTLQW-UHFFFAOYSA-N 1 1 294.826 3.276 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCCN(C(=O)C(C)C)C1 ZINC001266089932 808210111 /nfs/dbraw/zinc/21/01/11/808210111.db2.gz ARDIEZNERZHLDM-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)CCCC)C1 ZINC001266099196 808211886 /nfs/dbraw/zinc/21/18/86/808211886.db2.gz AWGCTBNARBYNCS-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C[N@@H+](CCCNC(=O)[C@@H]1CCCC1(C)C)C1CC1 ZINC001266153884 808220398 /nfs/dbraw/zinc/22/03/98/808220398.db2.gz WBGLWMARPVKGIN-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCOc2ccccc2C1 ZINC001172305247 808221599 /nfs/dbraw/zinc/22/15/99/808221599.db2.gz COANGNCMZREYFM-HNNXBMFYSA-N 1 1 292.382 3.384 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)[C@H](C)C1CCCC1)C1CC1 ZINC001266169312 808221807 /nfs/dbraw/zinc/22/18/07/808221807.db2.gz XGRAJGUUWKJUIA-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)[C@]1(C)CC=C(C)CC1)C1CC1 ZINC001266174649 808222515 /nfs/dbraw/zinc/22/25/15/808222515.db2.gz PFPHGSDUNMDUMI-GOSISDBHSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)c1sccc1C ZINC001266198880 808226939 /nfs/dbraw/zinc/22/69/39/808226939.db2.gz PFZIYRPIJLOZJU-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H](CF)C1 ZINC001172318318 808228361 /nfs/dbraw/zinc/22/83/61/808228361.db2.gz DZMXBJXDMQCPEA-XJKSGUPXSA-N 1 1 260.356 3.171 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1CCC[N@H+](CC[C@@H](C)F)C1 ZINC001266222028 808230627 /nfs/dbraw/zinc/23/06/27/808230627.db2.gz MMWNLHKCHYHGTH-ZBFHGGJFSA-N 1 1 296.430 3.084 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)C=C2CCCCC2)C1 ZINC001266305029 808239550 /nfs/dbraw/zinc/23/95/50/808239550.db2.gz JBOWDAAETNEIMT-WBVHZDCISA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[N@@H+](C)CCNC(=O)c1cc(C)c(Cl)cc1C ZINC001266306178 808240312 /nfs/dbraw/zinc/24/03/12/808240312.db2.gz GISWGTBZUPNWTC-UHFFFAOYSA-N 1 1 294.826 3.195 20 30 CGEDMO C=CCC[N@@H+](C)CCNC(=O)c1cccc(-c2ccoc2)c1 ZINC001266344750 808246116 /nfs/dbraw/zinc/24/61/16/808246116.db2.gz OOUDULLRBDZKGL-UHFFFAOYSA-N 1 1 298.386 3.184 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](CCCC)C(C)C)C1 ZINC001266362059 808249248 /nfs/dbraw/zinc/24/92/48/808249248.db2.gz XMEKKKFLUVWCSI-CVEARBPZSA-N 1 1 280.456 3.215 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+](C)CCN1CCN(C)CC1 ZINC001172354481 808250649 /nfs/dbraw/zinc/25/06/49/808250649.db2.gz HMICDQQIFVQFSS-GOSISDBHSA-N 1 1 297.531 3.305 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@@H+](C)CCN1CCN(C)CC1 ZINC001172354481 808250652 /nfs/dbraw/zinc/25/06/52/808250652.db2.gz HMICDQQIFVQFSS-GOSISDBHSA-N 1 1 297.531 3.305 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)C1(CC)CCCCC1 ZINC001266438063 808263983 /nfs/dbraw/zinc/26/39/83/808263983.db2.gz XKWJRVBCJDDCFG-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[C@H](C[N@H+](C)CCC)C2)CC1 ZINC001266465960 808271456 /nfs/dbraw/zinc/27/14/56/808271456.db2.gz GNXMXWWISDNPQP-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C=C ZINC001266491070 808275965 /nfs/dbraw/zinc/27/59/65/808275965.db2.gz BWYTZUFPKGEFMF-HRCADAONSA-N 1 1 290.451 3.229 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H](C)CC(C)C ZINC001266488634 808276094 /nfs/dbraw/zinc/27/60/94/808276094.db2.gz MSQHZADNIADDJT-JKSUJKDBSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H](CNC(=O)C2CCCCCC2)C1 ZINC001266502621 808277484 /nfs/dbraw/zinc/27/74/84/808277484.db2.gz GXESBCYGYYLGOR-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001266544705 808284511 /nfs/dbraw/zinc/28/45/11/808284511.db2.gz HELKCLRNSVMHSI-HNNXBMFYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]2C[N@@H+](CC(=C)C)CC[C@H]21 ZINC001266659471 808303260 /nfs/dbraw/zinc/30/32/60/808303260.db2.gz PYBQWXHEFVAYSI-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@H]1CCCC[N@H+]1CC(=C)C ZINC001266853542 808324225 /nfs/dbraw/zinc/32/42/25/808324225.db2.gz NPXDNUCWUZWSLK-JKSUJKDBSA-N 1 1 278.440 3.136 20 30 CGEDMO CC(C)OCC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001172452427 808325419 /nfs/dbraw/zinc/32/54/19/808325419.db2.gz ZRYHXUHTXXZQNL-CQSZACIVSA-N 1 1 260.381 3.194 20 30 CGEDMO C[C@H](CCCC#N)n1cc(C(=O)C[NH3+])c2ccccc21 ZINC001172483514 808346276 /nfs/dbraw/zinc/34/62/76/808346276.db2.gz ROOFIJQQXASJHV-GFCCVEGCSA-N 1 1 269.348 3.038 20 30 CGEDMO COC(C[N@@H+](Cc1ccccc1)[C@H](C)CCCC#N)OC ZINC001172494864 808354257 /nfs/dbraw/zinc/35/42/57/808354257.db2.gz YTHUQFOKLDDJLO-OAHLLOKOSA-N 1 1 290.407 3.190 20 30 CGEDMO COc1ccccc1CC[N@@H+](C)[C@H](C)CCCC#N ZINC001172499305 808355513 /nfs/dbraw/zinc/35/55/13/808355513.db2.gz CPHHMVNZIDXNDW-CQSZACIVSA-N 1 1 260.381 3.252 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC001172498854 808356396 /nfs/dbraw/zinc/35/63/96/808356396.db2.gz RUILRTKOUDYNDT-KBPBESRZSA-N 1 1 280.412 3.122 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)/C(C)=C\CC)C1 ZINC001267102285 808357148 /nfs/dbraw/zinc/35/71/48/808357148.db2.gz ZJFGFSBBGWPIOU-YMDFIQGPSA-N 1 1 278.440 3.232 20 30 CGEDMO CCCc1noc([C@@H]2CCC[N@H+]([C@@H](C)CCCC#N)C2)n1 ZINC001172503280 808359188 /nfs/dbraw/zinc/35/91/88/808359188.db2.gz YLGYCEOIUNICGZ-UONOGXRCSA-N 1 1 290.411 3.284 20 30 CGEDMO C[C@H](CCCC#N)[N@@H+](Cc1cccnc1)C1CCOCC1 ZINC001172504556 808361306 /nfs/dbraw/zinc/36/13/06/808361306.db2.gz GZLPKNUHNLSWJN-OAHLLOKOSA-N 1 1 287.407 3.145 20 30 CGEDMO CCCCCCCC[C@@H](CC)[NH2+][C@H]1CCOC1=O ZINC001172506173 808362538 /nfs/dbraw/zinc/36/25/38/808362538.db2.gz OYZQZSLJOGHIDO-KGLIPLIRSA-N 1 1 255.402 3.421 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC001172507048 808363148 /nfs/dbraw/zinc/36/31/48/808363148.db2.gz ODQFXFRLUJEKTI-KGLIPLIRSA-N 1 1 280.412 3.122 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCc2c([nH]nc2C(F)(F)F)C1 ZINC001172508439 808364215 /nfs/dbraw/zinc/36/42/15/808364215.db2.gz CZHXQAGXTGIRRR-SKDRFNHKSA-N 1 1 286.301 3.425 20 30 CGEDMO Cc1ccnc(O[C@@H]2CCC[N@H+]([C@H](C)CCCC#N)C2)c1 ZINC001172509826 808365804 /nfs/dbraw/zinc/36/58/04/808365804.db2.gz REEHTWAVLSDHNL-HZPDHXFCSA-N 1 1 287.407 3.316 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)C[C@H](C)C1CC1 ZINC001267181758 808374517 /nfs/dbraw/zinc/37/45/17/808374517.db2.gz NGCLZWIIOGJYPA-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCC(C)(C)C1 ZINC001267214532 808382895 /nfs/dbraw/zinc/38/28/95/808382895.db2.gz BDYPFVAMRYDRQL-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)C1(F)CCCCC1 ZINC001267279562 808402271 /nfs/dbraw/zinc/40/22/71/808402271.db2.gz HJDZWGBZPIAPDB-OAHLLOKOSA-N 1 1 296.430 3.206 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001267305835 808408169 /nfs/dbraw/zinc/40/81/69/808408169.db2.gz CVZZVHLOOGUYTL-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO CC1(C)CC([N@H+]2CCC[C@H](CC#N)C2)CC(C)(C)O1 ZINC001172658188 808411124 /nfs/dbraw/zinc/41/11/24/808411124.db2.gz LZXIKPHRZMKHHL-CYBMUJFWSA-N 1 1 264.413 3.348 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001267315155 808411780 /nfs/dbraw/zinc/41/17/80/808411780.db2.gz ZAKLJXYKKAKXFX-MRXNPFEDSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)[C@H]1CCC[C@@H](C)C1 ZINC001267317056 808411943 /nfs/dbraw/zinc/41/19/43/808411943.db2.gz MRLFPOITVPAZCU-CVEARBPZSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)c1cccc(Cl)c1F ZINC001267317033 808412192 /nfs/dbraw/zinc/41/21/92/808412192.db2.gz LZVVTBNWJDHFPH-UHFFFAOYSA-N 1 1 298.789 3.107 20 30 CGEDMO CC(C)OC(=O)CC[C@@H](C)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001172765408 808434606 /nfs/dbraw/zinc/43/46/06/808434606.db2.gz YHHGGBYUFVXUBJ-CQSZACIVSA-N 1 1 288.391 3.110 20 30 CGEDMO COC(=O)[C@H]1CCC[C@@H]([NH2+]C2(C#N)CCCCCC2)CC1 ZINC001172767688 808435766 /nfs/dbraw/zinc/43/57/66/808435766.db2.gz JYKMOTHELJLELI-LSDHHAIUSA-N 1 1 292.423 3.314 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)C(C)C)C1 ZINC001267530353 808440675 /nfs/dbraw/zinc/44/06/75/808440675.db2.gz ADENEOLCPMIGAJ-INIZCTEOSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCC[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC001267565879 808447887 /nfs/dbraw/zinc/44/78/87/808447887.db2.gz WQRGYTMQNHWCEV-WMZOPIPTSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC[N@H+](C)CC1CCN(C(=O)CC[C@H](C)CC)CC1 ZINC001267602781 808457285 /nfs/dbraw/zinc/45/72/85/808457285.db2.gz KZOFHWLOCWZGTJ-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@H](C)C(C)(C)C)CC1 ZINC001267601399 808457340 /nfs/dbraw/zinc/45/73/40/808457340.db2.gz NLWSHMDPZHHLCE-HNNXBMFYSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)C2(CCF)CC2)C1 ZINC001267628940 808459922 /nfs/dbraw/zinc/45/99/22/808459922.db2.gz OMUPUDWOIWJURA-CABCVRRESA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@@H]1CCN(C(=O)CCCCC)C1 ZINC001267626590 808460250 /nfs/dbraw/zinc/46/02/50/808460250.db2.gz WPJWUXMZHJMKOE-AWEZNQCLSA-N 1 1 286.847 3.100 20 30 CGEDMO C=CCCCCC[NH+]1CC(NC(=O)c2cc(C)c(C)o2)C1 ZINC001267642192 808464127 /nfs/dbraw/zinc/46/41/27/808464127.db2.gz WVTIJYZYZPOTAE-UHFFFAOYSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CCCCCC[NH+]1CC(NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001267658700 808465879 /nfs/dbraw/zinc/46/58/79/808465879.db2.gz JBQCGACVNVXTPH-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)C[C@@H](CC)C(C)C)C1 ZINC001267702944 808472985 /nfs/dbraw/zinc/47/29/85/808472985.db2.gz KIJATZIVVVUNIY-IAGOWNOFSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)CCCCC)C1 ZINC001267718723 808476940 /nfs/dbraw/zinc/47/69/40/808476940.db2.gz FRDRLDNXQXBKKJ-CABCVRRESA-N 1 1 266.429 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)CCCC)C1 ZINC001267719332 808477274 /nfs/dbraw/zinc/47/72/74/808477274.db2.gz VVFSABFCYNBPNA-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](NC(=O)C2(CF)CCC2)C1 ZINC001267728871 808478100 /nfs/dbraw/zinc/47/81/00/808478100.db2.gz OWMWPOQTAYXKEE-HNNXBMFYSA-N 1 1 296.430 3.063 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)CCCCCC)C1 ZINC001267750966 808483384 /nfs/dbraw/zinc/48/33/84/808483384.db2.gz LETHQMWDNCNPTM-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC(C)(C)CC(=O)N(C)[C@@H]1CC[N@H+](CC/C=C\CC)C1 ZINC001267764006 808487277 /nfs/dbraw/zinc/48/72/77/808487277.db2.gz QOTGHWHVQCPWEM-HLRDLLSLSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)C2(C)CC(=C)C2)C1 ZINC001267771275 808488343 /nfs/dbraw/zinc/48/83/43/808488343.db2.gz CRSQWWQWASSGNK-CVEARBPZSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)C[C@@H]2C=CCC2)C1 ZINC001267780311 808489739 /nfs/dbraw/zinc/48/97/39/808489739.db2.gz LQDLZQVKKFJJBE-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO N#C[C@H]1CCC[N@H+](C2CCC3(CCOCC3)CC2)CC1 ZINC001173047755 808499742 /nfs/dbraw/zinc/49/97/42/808499742.db2.gz FEHSLJZPBWJTMY-HNNXBMFYSA-N 1 1 276.424 3.351 20 30 CGEDMO CC[N@H+](CCC#N)[C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173071334 808502535 /nfs/dbraw/zinc/50/25/35/808502535.db2.gz OJZWXAQJSZRLKH-KGLIPLIRSA-N 1 1 295.427 3.010 20 30 CGEDMO CC[N@@H+](CCC#N)[C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001173071334 808502542 /nfs/dbraw/zinc/50/25/42/808502542.db2.gz OJZWXAQJSZRLKH-KGLIPLIRSA-N 1 1 295.427 3.010 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)CCCC)C1 ZINC001267931387 808516276 /nfs/dbraw/zinc/51/62/76/808516276.db2.gz SVHWQXLKVZZCCV-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC23CC3)C1 ZINC001267966003 808521767 /nfs/dbraw/zinc/52/17/67/808521767.db2.gz BWEFMYCCOZWJSG-HZPDHXFCSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](F)CC)C1 ZINC001267957187 808522026 /nfs/dbraw/zinc/52/20/26/808522026.db2.gz ZFHUEBYZVVNHHQ-CABCVRRESA-N 1 1 284.419 3.062 20 30 CGEDMO C#CCCCCC(=O)N(C)CC[N@@H+](C)CCC(C)(C)C ZINC001268234696 808564203 /nfs/dbraw/zinc/56/42/03/808564203.db2.gz KVWJERZBZFOUBQ-UHFFFAOYSA-N 1 1 280.456 3.006 20 30 CGEDMO C#Cc1ccc(C(=O)N(C)CC[N@H+](C)CC/C=C\CC)cc1 ZINC001268245477 808567169 /nfs/dbraw/zinc/56/71/69/808567169.db2.gz OXVNOBBUMLBZPO-FPLPWBNLSA-N 1 1 298.430 3.028 20 30 CGEDMO C=C[C@H](CC)CC(=O)N(C)CC[N@@H+](C)CC1CC(C)(C)C1 ZINC001268244752 808568324 /nfs/dbraw/zinc/56/83/24/808568324.db2.gz GYILTTURCXSMHB-OAHLLOKOSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCC1(C(=O)N(C)CC[N@H+](C)CCCC)CCCC1 ZINC001268260559 808572223 /nfs/dbraw/zinc/57/22/23/808572223.db2.gz WLODIBPUOYTXLZ-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)C[C@H]1CCCC[C@H]1C ZINC001268258349 808572243 /nfs/dbraw/zinc/57/22/43/808572243.db2.gz AYQYXYYBEJIDTO-HZPDHXFCSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)CC3CCC3)CC[C@H]21 ZINC001268264522 808573266 /nfs/dbraw/zinc/57/32/66/808573266.db2.gz UJVJKXBCINSWEB-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO CCCCCCCCC[C@@H](CCC)[NH2+]C[C@@H](O)CN ZINC001173284699 808585282 /nfs/dbraw/zinc/58/52/82/808585282.db2.gz HVZDHVMZCFXSBB-CVEARBPZSA-N 1 1 272.477 3.205 20 30 CGEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@@H]1CC[C@H](CC)C1)C2 ZINC001173276144 808578774 /nfs/dbraw/zinc/57/87/74/808578774.db2.gz BQIGYYJZBXWRMR-XWTMOSNGSA-N 1 1 293.451 3.391 20 30 CGEDMO N#CCC1CCC([N@H+]2CC[C@]3(C2)CCCCO3)CC1 ZINC001173331924 808615775 /nfs/dbraw/zinc/61/57/75/808615775.db2.gz VCPDFPVNXQVHLJ-GPANFISMSA-N 1 1 262.397 3.104 20 30 CGEDMO N#CCC1CCC([N@@H+]2CCC(=O)[C@H]3CCCC[C@@H]32)CC1 ZINC001173331395 808616517 /nfs/dbraw/zinc/61/65/17/808616517.db2.gz OWGUCBIQMBJLKC-CKUJCDMFSA-N 1 1 274.408 3.292 20 30 CGEDMO Cc1nc2c(s1)C[N@@H+](C1CCC(CC#N)CC1)C2 ZINC001173341557 808621181 /nfs/dbraw/zinc/62/11/81/808621181.db2.gz ZQWNRNOEFRFZEE-UHFFFAOYSA-N 1 1 261.394 3.240 20 30 CGEDMO Cc1nc2c(s1)C[N@H+](C1CCC(CC#N)CC1)C2 ZINC001173341557 808621183 /nfs/dbraw/zinc/62/11/83/808621183.db2.gz ZQWNRNOEFRFZEE-UHFFFAOYSA-N 1 1 261.394 3.240 20 30 CGEDMO C=C[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCCC)c1ccccc1 ZINC001268757568 808625175 /nfs/dbraw/zinc/62/51/75/808625175.db2.gz SLXCYTOWRXZFTP-RDJZCZTQSA-N 1 1 288.435 3.193 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)c2c(C)coc2C)C1 ZINC001269022508 808643096 /nfs/dbraw/zinc/64/30/96/808643096.db2.gz BHIDQSYDJXAWLW-ZFWWWQNUSA-N 1 1 290.407 3.055 20 30 CGEDMO CCOC(=O)[C@H](CC(C)(C)F)[NH2+]C1CCC(C)(C#N)CC1 ZINC001173588546 808647101 /nfs/dbraw/zinc/64/71/01/808647101.db2.gz KEADDECDGUTAJK-UYJPIKCFSA-N 1 1 298.402 3.118 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CC[C@H](c3ccccn3)C2)CC1 ZINC001173596536 808649521 /nfs/dbraw/zinc/64/95/21/808649521.db2.gz ZXFANMZFYJVARW-UQPPLGOBSA-N 1 1 269.392 3.343 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H]1CNC(=O)c1occc1C ZINC001269194361 808652511 /nfs/dbraw/zinc/65/25/11/808652511.db2.gz HIXHRCRBULBDRZ-HNNXBMFYSA-N 1 1 290.407 3.139 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)CCCC2CCCC2)C1 ZINC001269199061 808654582 /nfs/dbraw/zinc/65/45/82/808654582.db2.gz FONNUZZDYXTUHD-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC(=O)N(C)[C@H]1CC[N@H+]([C@H]2CCc3ccccc32)C1 ZINC001269221541 808657869 /nfs/dbraw/zinc/65/78/69/808657869.db2.gz MIEDPJPQQWQSDS-WMZOPIPTSA-N 1 1 298.430 3.173 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)C(C)(C)C)C1 ZINC001269250569 808660709 /nfs/dbraw/zinc/66/07/09/808660709.db2.gz GHHUPNDWYBAWKX-GJZGRUSLSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCCC(=O)N(C)[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC001269268499 808661824 /nfs/dbraw/zinc/66/18/24/808661824.db2.gz MLBAYRYVSGOQEK-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)C(CC)(CC)CC)C1 ZINC001269286626 808663625 /nfs/dbraw/zinc/66/36/25/808663625.db2.gz AIFCYJBDCBFLAE-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H](C)C(C)C)C1 ZINC001269347780 808671149 /nfs/dbraw/zinc/67/11/49/808671149.db2.gz BVIDRCGFYJASAF-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC[NH+]1CC(N(C)C(=O)[C@@](C)(F)CCCC)C1 ZINC001269812410 808705426 /nfs/dbraw/zinc/70/54/26/808705426.db2.gz FMVIYOMYIMIVPS-INIZCTEOSA-N 1 1 284.419 3.014 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC2(CC[N@H+](C(C)C)C2)CC1 ZINC001270329501 808725013 /nfs/dbraw/zinc/72/50/13/808725013.db2.gz VRZXEPHMUIDHSE-UHFFFAOYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CCC(=O)N[C@]1(C)CC[N@H+](CC/C=C\CC)C1 ZINC001270590497 808738051 /nfs/dbraw/zinc/73/80/51/808738051.db2.gz OYOXERLEQAHPAL-JTGQJZMRSA-N 1 1 278.440 3.280 20 30 CGEDMO C=C(C)CCC(=O)N[C@@]1(C)CC[N@H+](CC/C=C/CC)C1 ZINC001270590499 808738093 /nfs/dbraw/zinc/73/80/93/808738093.db2.gz OYOXERLEQAHPAL-LXXRFIIISA-N 1 1 278.440 3.280 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)CC[C@H](C)CC)C1 ZINC001270643294 808741691 /nfs/dbraw/zinc/74/16/91/808741691.db2.gz VBNPXEZHHJMKOM-DOMZBBRYSA-N 1 1 286.847 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)CC[C@H](C)CC)C1 ZINC001270643294 808741695 /nfs/dbraw/zinc/74/16/95/808741695.db2.gz VBNPXEZHHJMKOM-DOMZBBRYSA-N 1 1 286.847 3.146 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@]1(C)CCC[N@H+](CC(C)C)C1 ZINC001270965956 808756193 /nfs/dbraw/zinc/75/61/93/808756193.db2.gz SLKQWKVSMUFOQG-GOSISDBHSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](F)C(C)C)C1 ZINC001270982044 808757751 /nfs/dbraw/zinc/75/77/51/808757751.db2.gz FCLSPSDMZZIMQE-NVXWUHKLSA-N 1 1 298.446 3.165 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)C[C@H](C)C2CC2)C1 ZINC001271017071 808758716 /nfs/dbraw/zinc/75/87/16/808758716.db2.gz KZSZYBUNDRVVQX-YJBOKZPZSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)CCC ZINC001272016117 808793770 /nfs/dbraw/zinc/79/37/70/808793770.db2.gz OBQAORRAGVREGF-BPLDGKMQSA-N 1 1 298.858 3.240 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)CCC ZINC001272016117 808793774 /nfs/dbraw/zinc/79/37/74/808793774.db2.gz OBQAORRAGVREGF-BPLDGKMQSA-N 1 1 298.858 3.240 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)/C=C(\C)CC)[C@@H]2C1 ZINC001272071491 808796019 /nfs/dbraw/zinc/79/60/19/808796019.db2.gz HZJVFZIGJBHWLF-XYXDXOEKSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)c1cccc(C2CC2)c1 ZINC001272179097 808799784 /nfs/dbraw/zinc/79/97/84/808799784.db2.gz WNWZPEZEUHUQES-UHFFFAOYSA-N 1 1 286.419 3.144 20 30 CGEDMO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2ccccc2CC)C1=O ZINC001272420013 808807193 /nfs/dbraw/zinc/80/71/93/808807193.db2.gz BVHWECNDSTUCMD-IBGZPJMESA-N 1 1 298.430 3.002 20 30 CGEDMO C=CCN1CC[C@@]2(CCC[N@H+](C[C@@H](C)CCC)CC2)C1=O ZINC001272432928 808809303 /nfs/dbraw/zinc/80/93/03/808809303.db2.gz SRAUNMWLLRLPIC-WMZOPIPTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCN1c2ccccc2[C@@]2(CC[N@H+](CCCCC)C2)C1=O ZINC001272470902 808811135 /nfs/dbraw/zinc/81/11/35/808811135.db2.gz NNKRQLPNBLLJAM-IBGZPJMESA-N 1 1 298.430 3.353 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@]2(CCN(C)C2=O)C1 ZINC001272478349 808812656 /nfs/dbraw/zinc/81/26/56/808812656.db2.gz IRJMBJGVPKVNEB-QGZVFWFLSA-N 1 1 280.456 3.291 20 30 CGEDMO C=CCN1CC[C@]2(CC[N@H+](CCCCCCC)C2)C1=O ZINC001272477412 808812674 /nfs/dbraw/zinc/81/26/74/808812674.db2.gz ZPZWGOQQRUCPAL-KRWDZBQOSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2cc(C)ccc2C)C1=O ZINC001272638060 808818575 /nfs/dbraw/zinc/81/85/75/808818575.db2.gz DZXNNTBSAVCILM-LJQANCHMSA-N 1 1 298.430 3.056 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CC[C@@]2(CCN(C)C2=O)C1 ZINC001272716062 808822826 /nfs/dbraw/zinc/82/28/26/808822826.db2.gz WARKPGJKRUAZQB-SFHVURJKSA-N 1 1 292.467 3.457 20 30 CGEDMO N#Cc1ccc(Nc2cc[nH+]c3ccccc23)cc1C#N ZINC001174040207 808839850 /nfs/dbraw/zinc/83/98/50/808839850.db2.gz XVSHLBNFRLVWRC-UHFFFAOYSA-N 1 1 270.295 3.144 20 30 CGEDMO C=CCC(C)(C)C(=O)N(C)CCC[N@@H+](C)CC=C(C)C ZINC001273566816 808855271 /nfs/dbraw/zinc/85/52/71/808855271.db2.gz ZBRZOAJOVSUBRJ-UHFFFAOYSA-N 1 1 280.456 3.335 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CCC(=C)C)C(C)(C)C1 ZINC001274437558 808876436 /nfs/dbraw/zinc/87/64/36/808876436.db2.gz VOSYXVJQNXJCLL-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C#CCC[N@H+](CC)CC1CCN(C(=O)C[C@H](C)CC)CC1 ZINC001274945622 808894502 /nfs/dbraw/zinc/89/45/02/808894502.db2.gz RSHCYBMMTFFPSV-MRXNPFEDSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@]2(CCN(Cc3ccc[nH]3)C2)C1 ZINC001274961773 808895724 /nfs/dbraw/zinc/89/57/24/808895724.db2.gz ALJTWPGPZOCINH-GOSISDBHSA-N 1 1 287.451 3.269 20 30 CGEDMO CCCCCCC[N@@H+](C)C[C@H]1CCCN1C(=O)CC ZINC001275081128 808905272 /nfs/dbraw/zinc/90/52/72/808905272.db2.gz QJWNRQXYHKJOTL-OAHLLOKOSA-N 1 1 268.445 3.290 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)C1CCCCC1 ZINC001275086380 808906691 /nfs/dbraw/zinc/90/66/91/808906691.db2.gz BGBLSLNXYAQQCC-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)CC(C)(C)C=C ZINC001275116378 808911434 /nfs/dbraw/zinc/91/14/34/808911434.db2.gz WYZNHFIKJFCQRX-INIZCTEOSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC(C)(C)C1 ZINC001275144341 808915596 /nfs/dbraw/zinc/91/55/96/808915596.db2.gz YAHSPYMUVQQYGR-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC(=O)N[C@@H](C)C[N@@H+](C)[C@@H](C)c1ccccc1 ZINC001275520720 808944161 /nfs/dbraw/zinc/94/41/61/808944161.db2.gz JDZLBSOIXPNSPZ-GJZGRUSLSA-N 1 1 274.408 3.150 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)c1ccc(CF)cc1 ZINC001275730895 808961172 /nfs/dbraw/zinc/96/11/72/808961172.db2.gz YELFRZBHMUXCCQ-AWEZNQCLSA-N 1 1 292.398 3.172 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@H](C)[N@@H+](C)CCC(C)C ZINC001275919448 808976940 /nfs/dbraw/zinc/97/69/40/808976940.db2.gz CVFDBPQFDLZXJM-GOEBONIOSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCN2C ZINC001276043167 808985759 /nfs/dbraw/zinc/98/57/59/808985759.db2.gz WFWMCZSVQTUFIX-HOTGVXAUSA-N 1 1 250.430 3.291 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1CCCCC[N@H+]1C/C=C/Cl ZINC001276312864 809000543 /nfs/dbraw/zinc/00/05/43/809000543.db2.gz VPNLKSKDRCADFL-PLWJUESGSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CCC(=C)C)CC1(C)C ZINC001276606850 809021270 /nfs/dbraw/zinc/02/12/70/809021270.db2.gz BQVFLYCGGYJRHV-CRAIPNDOSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CC[N@H+]1[C@@H]1CCCc2ccccc21 ZINC001276802026 809032757 /nfs/dbraw/zinc/03/27/57/809032757.db2.gz WGENJCDYCIHIHL-SJLPKXTDSA-N 1 1 298.430 3.221 20 30 CGEDMO C[NH2+][C@@]12CC[C@@](NCc3ccc(C#N)cc3C)(C1)CCC2 ZINC001276856852 809038451 /nfs/dbraw/zinc/03/84/51/809038451.db2.gz LHGNHBFOBHZKER-ZWKOTPCHSA-N 1 1 283.419 3.021 20 30 CGEDMO C=CCCCC(=O)N1CC2(C1)CCC[N@H+](C[C@@H](F)CC)C2 ZINC001276877016 809039790 /nfs/dbraw/zinc/03/97/90/809039790.db2.gz GOVNOLFSDZWRDC-HNNXBMFYSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1C[C@]2(C)C[N@H+](CCC)C[C@]2(C)C1 ZINC001276905822 809043034 /nfs/dbraw/zinc/04/30/34/809043034.db2.gz HVBPPFHLFHIXRR-NXHRZFHOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1C[C@]2(C)C[N@H+](CCC)C[C@]2(C)C1 ZINC001276905823 809043909 /nfs/dbraw/zinc/04/39/09/809043909.db2.gz HVBPPFHLFHIXRR-RYQLBKOJSA-N 1 1 292.467 3.169 20 30 CGEDMO N#Cc1ccc(N2CC3(C2)CC[N@H+](C2CCCC2)C3)cc1 ZINC001276960327 809050336 /nfs/dbraw/zinc/05/03/36/809050336.db2.gz FDNWJIPHPXQNOO-UHFFFAOYSA-N 1 1 281.403 3.013 20 30 CGEDMO N#Cc1cc(N2CC[C@H]3C[N@H+](C4CCCC4)C[C@H]32)ccc1F ZINC001277035230 809055090 /nfs/dbraw/zinc/05/50/90/809055090.db2.gz LOOIMQCBXZZZQO-SCLBCKFNSA-N 1 1 299.393 3.150 20 30 CGEDMO C=CCCCC(=O)N(C)C[C@H](C)[NH2+]C/C(Cl)=C\Cl ZINC001277923179 809106501 /nfs/dbraw/zinc/10/65/01/809106501.db2.gz WQLGOEMSDOFTAA-SERMCNLOSA-N 1 1 293.238 3.098 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@H]1[C@@H]1CC[N@H+](CC(=C)C)C1 ZINC001277282507 809068078 /nfs/dbraw/zinc/06/80/78/809068078.db2.gz BZYOHYQJXBDVPK-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C/C(C)=C/CC(=O)N1CCC([N@@H+](C)CCC(=C)C)CC1 ZINC001277423236 809073874 /nfs/dbraw/zinc/07/38/74/809073874.db2.gz OFXSUNSGYUHCRH-FRKPEAEDSA-N 1 1 290.451 3.398 20 30 CGEDMO CC#CC[N@H+](C)C1CCN(C(=O)[C@@H](CCC)C(C)C)CC1 ZINC001277429229 809073908 /nfs/dbraw/zinc/07/39/08/809073908.db2.gz JXZPWYNRPUCSDH-KRWDZBQOSA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)C(C)(C)CCC)CC1 ZINC001277423490 809074264 /nfs/dbraw/zinc/07/42/64/809074264.db2.gz QGCZHZIYHLTODN-UHFFFAOYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCCC(=O)NC1(C)CC[NH+](CC(=C)Cl)CC1 ZINC001278071971 809114014 /nfs/dbraw/zinc/11/40/14/809114014.db2.gz SHSSNXIEAIMQMI-UHFFFAOYSA-N 1 1 284.831 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)CCC2CCCC2)C1 ZINC001278357698 809127458 /nfs/dbraw/zinc/12/74/58/809127458.db2.gz RXXDNSGVHJYRHM-MRXNPFEDSA-N 1 1 298.858 3.290 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)CCC2CCCC2)C1 ZINC001278357698 809127462 /nfs/dbraw/zinc/12/74/62/809127462.db2.gz RXXDNSGVHJYRHM-MRXNPFEDSA-N 1 1 298.858 3.290 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@](C)(NC(=O)CCCC)C1 ZINC001278364660 809128661 /nfs/dbraw/zinc/12/86/61/809128661.db2.gz XOCRFGJJYANIKO-GDBMZVCRSA-N 1 1 266.429 3.112 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@](C)(NC(=O)[C@@H](F)CC)C1 ZINC001278413781 809131521 /nfs/dbraw/zinc/13/15/21/809131521.db2.gz KHHCZDOVDJQYQW-HOCLYGCPSA-N 1 1 286.435 3.286 20 30 CGEDMO C=CCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC001278501751 809137840 /nfs/dbraw/zinc/13/78/40/809137840.db2.gz YKRNUKNIAZNPGX-WBVHZDCISA-N 1 1 286.419 3.122 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C2(CC)CC2)[C@H]1C ZINC001278522519 809139936 /nfs/dbraw/zinc/13/99/36/809139936.db2.gz YZORGJUZIOYZNQ-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)CCN(C(=O)C1CCC1)C(C)C ZINC001278888909 809154130 /nfs/dbraw/zinc/15/41/30/809154130.db2.gz IGDGWWWUHRYJHP-OAHLLOKOSA-N 1 1 280.456 3.310 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)C[C@H]1C=CCC1)C(C)C ZINC001278893003 809154155 /nfs/dbraw/zinc/15/41/55/809154155.db2.gz CZTJRUAJQVGJNB-INIZCTEOSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCC(=O)NCC1=CC[N@@H+](CC/C=C/CC)CC1 ZINC001279511066 809173724 /nfs/dbraw/zinc/17/37/24/809173724.db2.gz ISAAFRBKBUHULQ-FNORWQNLSA-N 1 1 276.424 3.057 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)C=C(CC)CC)[C@@H]2C1 ZINC001279605474 809175897 /nfs/dbraw/zinc/17/58/97/809175897.db2.gz DSSYICRZFIVIOT-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)CC[C@H](C)CC)CC1 ZINC001280758497 809197734 /nfs/dbraw/zinc/19/77/34/809197734.db2.gz AVRZVYUUYFYLRM-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@H+](C)CCCN(C)C(=O)c1cccc(C)c1Cl ZINC001280864085 809201327 /nfs/dbraw/zinc/20/13/27/809201327.db2.gz JIHNZOABHBGUAG-UHFFFAOYSA-N 1 1 294.826 3.228 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCN(C)C(=O)C(C)(C)C ZINC001280880912 809202909 /nfs/dbraw/zinc/20/29/09/809202909.db2.gz MQRJWIZKYUZRFT-AWEZNQCLSA-N 1 1 268.445 3.168 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC12CCC2 ZINC001281956206 809224984 /nfs/dbraw/zinc/22/49/84/809224984.db2.gz WVJALMQYIXCUHB-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)C1(F)CCCC1 ZINC001281940664 809225367 /nfs/dbraw/zinc/22/53/67/809225367.db2.gz BXQRLHQSMANVNK-OAHLLOKOSA-N 1 1 296.430 3.158 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@H]([C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001281974418 809227116 /nfs/dbraw/zinc/22/71/16/809227116.db2.gz CEIAWQQMROIVPB-IAGOWNOFSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)C1CCCCCC1 ZINC001282365853 809244685 /nfs/dbraw/zinc/24/46/85/809244685.db2.gz YUEVNCDDSZUXGW-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H](C)[N@@H+](C)CC1CC(C)(C)C1 ZINC001282444694 809248130 /nfs/dbraw/zinc/24/81/30/809248130.db2.gz VMGIAZQYQIVDEV-CYBMUJFWSA-N 1 1 280.456 3.071 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)C[C@H](CC)C(C)C ZINC001282478621 809250102 /nfs/dbraw/zinc/25/01/02/809250102.db2.gz SICFMWUFJVRKLV-GJZGRUSLSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)C1(CC)CCCCC1 ZINC001282497644 809252776 /nfs/dbraw/zinc/25/27/76/809252776.db2.gz PKEIYXCDMAYPHA-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)C1(C)CC=CC1 ZINC001282674863 809259258 /nfs/dbraw/zinc/25/92/58/809259258.db2.gz IRNDGFQROSOOCU-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@@](C)(F)CCCC)C(C)(C)C1 ZINC001282812272 809263840 /nfs/dbraw/zinc/26/38/40/809263840.db2.gz NDJBGBBBNSVNIP-YOEHRIQHSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)CCC)C[C@@H]2C1 ZINC001282957529 809267074 /nfs/dbraw/zinc/26/70/74/809267074.db2.gz GYDJRHIANRYAKG-ARFHVFGLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC([N@H+](C)C[C@H](F)CC)CC1 ZINC001283324768 809275576 /nfs/dbraw/zinc/27/55/76/809275576.db2.gz DWUTWYJSSMDJBS-RHSMWYFYSA-N 1 1 298.446 3.260 20 30 CGEDMO C=CCCCC(=O)NCC1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001284958761 809320799 /nfs/dbraw/zinc/32/07/99/809320799.db2.gz AVWYOJIUPSMNGQ-UHFFFAOYSA-N 1 1 298.430 3.291 20 30 CGEDMO CCc1ccc(CC[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1 ZINC001175250223 809325265 /nfs/dbraw/zinc/32/52/65/809325265.db2.gz PHTPODGWPMPQOD-IAGOWNOFSA-N 1 1 256.393 3.416 20 30 CGEDMO CCCCCCCCC[N@H+]1CCO[C@](C)(C(=O)OCC)C1 ZINC001175524717 809442884 /nfs/dbraw/zinc/44/28/84/809442884.db2.gz WQTIYNDESGBJDJ-KRWDZBQOSA-N 1 1 299.455 3.391 20 30 CGEDMO N#Cc1cc(F)cc(Nc2cc[nH+]cc2C(F)(F)F)c1 ZINC001175679702 809502437 /nfs/dbraw/zinc/50/24/37/809502437.db2.gz QSIKZMJQSMSBEC-UHFFFAOYSA-N 1 1 281.212 3.277 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2C[C@@H](C)CC2(C)C)cc1 ZINC001175759662 809535159 /nfs/dbraw/zinc/53/51/59/809535159.db2.gz YRSCYWIEYRWDPS-AWEZNQCLSA-N 1 1 284.403 3.117 20 30 CGEDMO C=CCOCC[N@@H+]1CCCC[C@H]1CC1(O)CCCCC1 ZINC001176062944 809613208 /nfs/dbraw/zinc/61/32/08/809613208.db2.gz UVCQHQCBSKWHTN-INIZCTEOSA-N 1 1 281.440 3.129 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1CC(=O)N(Cc1ccc(C)cc1)C1CC1 ZINC001176815102 809763511 /nfs/dbraw/zinc/76/35/11/809763511.db2.gz SDLAYUAYNVBDHH-QGZVFWFLSA-N 1 1 298.430 3.136 20 30 CGEDMO C#C[C@H]1CCCC[N@@H+]1CCc1cccc2c1OC(F)(F)O2 ZINC001176832866 809764344 /nfs/dbraw/zinc/76/43/44/809764344.db2.gz KWQFRYJKISLELN-ZDUSSCGKSA-N 1 1 293.313 3.038 20 30 CGEDMO C=CCOc1c(Cl)cc(C[NH2+][C@H](C)CC#N)cc1OC ZINC001179478858 809924472 /nfs/dbraw/zinc/92/44/72/809924472.db2.gz HEABVVPWBNVNGX-LLVKDONJSA-N 1 1 294.782 3.305 20 30 CGEDMO C[C@H](c1nccc2ccccc21)[N@@H+](C)C[C@H](C)C#N ZINC001180239537 809986075 /nfs/dbraw/zinc/98/60/75/809986075.db2.gz MHATZSVLWVGUGO-CHWSQXEVSA-N 1 1 253.349 3.387 20 30 CGEDMO C[C@H](c1nccc2ccccc21)[N@H+](C)C[C@H](C)C#N ZINC001180239537 809986077 /nfs/dbraw/zinc/98/60/77/809986077.db2.gz MHATZSVLWVGUGO-CHWSQXEVSA-N 1 1 253.349 3.387 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1cncc(Cl)c1Cl)C(C)C ZINC001181574561 810059787 /nfs/dbraw/zinc/05/97/87/810059787.db2.gz AGYNDSSPBYGGGI-LLVKDONJSA-N 1 1 257.164 3.136 20 30 CGEDMO C=CCC1(C[NH2+][C@@H](C)C(=O)OC(C)(C)C)CCCC1 ZINC001181754131 810070173 /nfs/dbraw/zinc/07/01/73/810070173.db2.gz WTZVDJKKQDOPBQ-ZDUSSCGKSA-N 1 1 267.413 3.443 20 30 CGEDMO C=CCC[C@H]([NH2+][C@@H]1CC[C@@H](C)C[C@H]1C)C(=O)OCC ZINC001181827636 810075206 /nfs/dbraw/zinc/07/52/06/810075206.db2.gz NAFARVGNJZXFKN-TUVASFSCSA-N 1 1 267.413 3.299 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2N(C)C)C1 ZINC001183065626 810135928 /nfs/dbraw/zinc/13/59/28/810135928.db2.gz MZCHKYRYUWYEDP-LBPRGKRZSA-N 1 1 280.362 3.429 20 30 CGEDMO CC(C)C1(C[N@H+]2CCC[C@@H](Nc3ccc(C#N)cn3)C2)CC1 ZINC001183927681 810170379 /nfs/dbraw/zinc/17/03/79/810170379.db2.gz BRLMNMNMCUSXIU-MRXNPFEDSA-N 1 1 298.434 3.266 20 30 CGEDMO CC#CC[N@@H+](C)Cc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC001184115309 810177765 /nfs/dbraw/zinc/17/77/65/810177765.db2.gz CRQYSTDYCMJHPD-UHFFFAOYSA-N 1 1 288.391 3.489 20 30 CGEDMO CC#CC[N@@H+](C)Cc1ccc(CC(F)(F)F)cc1 ZINC001184116499 810178108 /nfs/dbraw/zinc/17/81/08/810178108.db2.gz ZFUXJWJUSKXHAX-UHFFFAOYSA-N 1 1 255.283 3.247 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)CCC)[C@@H]2C1 ZINC001187198681 810390278 /nfs/dbraw/zinc/39/02/78/810390278.db2.gz HFNWLLPGGZUWTI-AEGPPILISA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)CCC)[C@@H]2C1 ZINC001187198681 810390282 /nfs/dbraw/zinc/39/02/82/810390282.db2.gz HFNWLLPGGZUWTI-AEGPPILISA-N 1 1 298.858 3.098 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]2C[N@@H+](CCCC3CCC3)C[C@H]21 ZINC001187240769 810391406 /nfs/dbraw/zinc/39/14/06/810391406.db2.gz ZTZMYHBYLHMBTP-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C(CC)CC)[C@@H]2C1 ZINC001188396088 810480232 /nfs/dbraw/zinc/48/02/32/810480232.db2.gz IQYRTMPPVMVGEO-BHYGNILZSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](CC)CCCC)[C@@H]2C1 ZINC001188616436 810493620 /nfs/dbraw/zinc/49/36/20/810493620.db2.gz DJNOXIMFHKQAHQ-YESZJQIVSA-N 1 1 292.467 3.312 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@@H]3C)[C@@H]2C1 ZINC001188813072 810517004 /nfs/dbraw/zinc/51/70/04/810517004.db2.gz LUABDHRBQUMYQE-LUKYLMHMSA-N 1 1 292.467 3.146 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CC(C)(C)C)C1 ZINC001188871229 810520808 /nfs/dbraw/zinc/52/08/08/810520808.db2.gz YGCHFADUNAQKIF-GJZGRUSLSA-N 1 1 280.456 3.310 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]2C[N@H+](CC(CC)CC)C[C@H]21 ZINC001189007701 810533866 /nfs/dbraw/zinc/53/38/66/810533866.db2.gz ZBPVNLASBOAORG-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]2C[N@H+](CCCC(C)C)C[C@H]21 ZINC001189007153 810534187 /nfs/dbraw/zinc/53/41/87/810534187.db2.gz PARSZEYQSZXIMJ-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)/C=C\C(C)(C)C)C1 ZINC001189438237 810569379 /nfs/dbraw/zinc/56/93/79/810569379.db2.gz QCZIBHOETOPRNS-XMELGKRDSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)CCC(C)(C)C)[C@@H]2C1 ZINC001189485402 810572163 /nfs/dbraw/zinc/57/21/63/810572163.db2.gz VXRFNAQINOUMSC-UONOGXRCSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)CCC(C)(C)C)[C@@H]2C1 ZINC001189485402 810572169 /nfs/dbraw/zinc/57/21/69/810572169.db2.gz VXRFNAQINOUMSC-UONOGXRCSA-N 1 1 298.858 3.098 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)C2CC=CC2)C1 ZINC001189498836 810572871 /nfs/dbraw/zinc/57/28/71/810572871.db2.gz CUPRUOZHUOYONW-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)c2coc(C)c2)C1 ZINC001189816989 810590431 /nfs/dbraw/zinc/59/04/31/810590431.db2.gz CIMCLDMIQBHGJF-BBRMVZONSA-N 1 1 290.407 3.089 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)CCCC)C1 ZINC001189942852 810595963 /nfs/dbraw/zinc/59/59/63/810595963.db2.gz ASNQGGGCAXOGAV-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)c2c(C)coc2C)C1 ZINC001189944292 810596496 /nfs/dbraw/zinc/59/64/96/810596496.db2.gz PKHKMNYRZCSVEH-OAHLLOKOSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H](C)C(C)(C)C)[C@@H]2C1 ZINC001189952736 810597494 /nfs/dbraw/zinc/59/74/94/810597494.db2.gz GPYIMGKDIBNLQA-OWCLPIDISA-N 1 1 292.467 3.168 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)C#CC(C)C)C1 ZINC001190053786 810605329 /nfs/dbraw/zinc/60/53/29/810605329.db2.gz KHHCBLFFYGLBTJ-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)C#CC(C)C)C1 ZINC001190053785 810606047 /nfs/dbraw/zinc/60/60/47/810606047.db2.gz KHHCBLFFYGLBTJ-KRWDZBQOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CC[C@H]([N@@H+](C)CC=C(C)C)C1 ZINC001190329985 810620522 /nfs/dbraw/zinc/62/05/22/810620522.db2.gz XHEVSTJMUYTQNP-KRWDZBQOSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)CC(C)(C)CC)C1 ZINC001190370298 810622852 /nfs/dbraw/zinc/62/28/52/810622852.db2.gz JTGFQERUNPIRMD-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CC[N@H+](C/C=C(\C)COC)[C@@H]1CCc2ccccc21 ZINC001190530029 810632822 /nfs/dbraw/zinc/63/28/22/810632822.db2.gz YXERUTSWSIXZGK-HAZIXKIPSA-N 1 1 269.388 3.202 20 30 CGEDMO C#CCOCC[N@@H+](CCc1ccccc1F)[C@H](C)CC ZINC001190616877 810638931 /nfs/dbraw/zinc/63/89/31/810638931.db2.gz UFIUIMRAPZFHHL-OAHLLOKOSA-N 1 1 277.383 3.119 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)C(CC)CC)C1 ZINC001191050284 810665975 /nfs/dbraw/zinc/66/59/75/810665975.db2.gz GBUWBRQGBKSLBM-HOCLYGCPSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CC2(C)CC2)C1 ZINC001191414956 810711380 /nfs/dbraw/zinc/71/13/80/810711380.db2.gz QAXJQYVSZYHXHX-CABCVRRESA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)C(=C)C)C1 ZINC001191683895 810730292 /nfs/dbraw/zinc/73/02/92/810730292.db2.gz MRNYBRHVHKVAMT-OAHLLOKOSA-N 1 1 278.440 3.088 20 30 CGEDMO C#CCCCCCC(=O)N1CC[C@@H]([N@@H+](C)CC=C(C)C)C1 ZINC001191721557 810733191 /nfs/dbraw/zinc/73/31/91/810733191.db2.gz YCLIUWXUDCXZDQ-QGZVFWFLSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)CCCF)C1 ZINC001191808772 810744027 /nfs/dbraw/zinc/74/40/27/810744027.db2.gz KBXXWGPJEBSCOH-OAHLLOKOSA-N 1 1 284.419 3.015 20 30 CGEDMO C#CCCCCCC[N@H+](C)[C@@H]1CCN(c2ccccc2)C1=O ZINC001191853625 810752465 /nfs/dbraw/zinc/75/24/65/810752465.db2.gz OOGLQRPSZPKWEO-GOSISDBHSA-N 1 1 298.430 3.307 20 30 CGEDMO CCCCCCCC[N@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001192213805 810775624 /nfs/dbraw/zinc/77/56/24/810775624.db2.gz LNYOPGKZAPFYAC-CABCVRRESA-N 1 1 266.429 3.090 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](C[C@H]2CC3(CO2)CCCCC3)C1 ZINC001192499782 810803599 /nfs/dbraw/zinc/80/35/99/810803599.db2.gz FPHXOXBMZXFIKC-JKSUJKDBSA-N 1 1 279.424 3.003 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)CC[C@H](C)CC)C1 ZINC001193025824 810843159 /nfs/dbraw/zinc/84/31/59/810843159.db2.gz GTRZLLXONWJMGA-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CC[N@H+](C)[C@H]1CCN(C(=O)C[C@H](C)CCCCCC)C1 ZINC001193416396 810884738 /nfs/dbraw/zinc/88/47/38/810884738.db2.gz CIXOKBQAHRIUGE-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@](OC)(C(F)(F)F)C1 ZINC001193459880 810891458 /nfs/dbraw/zinc/89/14/58/810891458.db2.gz HQHCXSAAIUZTAV-GFCCVEGCSA-N 1 1 265.319 3.386 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+](C)CCOc1ccccc1C(C)(C)C ZINC001193914489 810979112 /nfs/dbraw/zinc/97/91/12/810979112.db2.gz UQTUFEJLIFZTIY-INIZCTEOSA-N 1 1 291.435 3.232 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)Cc1cc(OC)ccc1Cl ZINC001193913565 810979348 /nfs/dbraw/zinc/97/93/48/810979348.db2.gz LVKGNSQCJIPYAY-UHFFFAOYSA-N 1 1 296.842 3.288 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC001194020995 811003443 /nfs/dbraw/zinc/00/34/43/811003443.db2.gz UJVZBWJFJMEHSN-ZIAGYGMSSA-N 1 1 262.372 3.301 20 30 CGEDMO CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](CCC)CC(C)C)C1 ZINC001194368533 811061294 /nfs/dbraw/zinc/06/12/94/811061294.db2.gz SSIVTDWGMXQBJK-SJORKVTESA-N 1 1 292.467 3.005 20 30 CGEDMO CCCCCCC[N@H+]1CCCN(C(=O)[C@H]2C[C@H]2C)CC1 ZINC001194713836 811113902 /nfs/dbraw/zinc/11/39/02/811113902.db2.gz IAHZYSSRYSGXRR-CVEARBPZSA-N 1 1 280.456 3.147 20 30 CGEDMO CCCCCCC[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H]2C)CC1 ZINC001194713842 811114836 /nfs/dbraw/zinc/11/48/36/811114836.db2.gz IAHZYSSRYSGXRR-JKSUJKDBSA-N 1 1 280.456 3.147 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C(CC)CC)CC1 ZINC001194883201 811163493 /nfs/dbraw/zinc/16/34/93/811163493.db2.gz NDMWBZQOLQSCLF-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C/C=C\C[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC001196615541 811356027 /nfs/dbraw/zinc/35/60/27/811356027.db2.gz XECDJDAJFQTZLJ-JKTRXZNMSA-N 1 1 284.403 3.270 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C2(C)CCCC2)CC1 ZINC001196681155 811358110 /nfs/dbraw/zinc/35/81/10/811358110.db2.gz QJDSUFHRAIGCEL-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[N@H+](CCCCC)CC1 ZINC001196724954 811359950 /nfs/dbraw/zinc/35/99/50/811359950.db2.gz TYKBQMIETSMVKB-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CCC[N@@H+](CCCCCF)CC1 ZINC001196880091 811374416 /nfs/dbraw/zinc/37/44/16/811374416.db2.gz GRYGGEQYZSTDGC-INIZCTEOSA-N 1 1 298.446 3.263 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C[C@H](C=C)CC)CC1 ZINC001196890798 811379457 /nfs/dbraw/zinc/37/94/57/811379457.db2.gz XBVORCGSDDDEAK-DLBZAZTESA-N 1 1 292.467 3.478 20 30 CGEDMO C#CCC[N@@H+]1CCCN(C(=O)[C@H](C)CCCCCC)CC1 ZINC001197519598 811426921 /nfs/dbraw/zinc/42/69/21/811426921.db2.gz PYAJRAPPWXKYGN-QGZVFWFLSA-N 1 1 292.467 3.151 20 30 CGEDMO COCC#CC[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1F ZINC001197610998 811435235 /nfs/dbraw/zinc/43/52/35/811435235.db2.gz LDMPRBUMRUUNSV-VIFPVBQESA-N 1 1 290.165 3.433 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)C[C@H](C)CC(C)C)CC1 ZINC001197777516 811452179 /nfs/dbraw/zinc/45/21/79/811452179.db2.gz JWBUYRZFGGDKGH-MRXNPFEDSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)CCCCCC)CC1 ZINC001198022057 811473835 /nfs/dbraw/zinc/47/38/35/811473835.db2.gz RFWCFXTWLWFYLL-UHFFFAOYSA-N 1 1 266.429 3.067 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Cl)nc1 ZINC001198414150 811499047 /nfs/dbraw/zinc/49/90/47/811499047.db2.gz DGZCWMDJZHRBBN-ZDUSSCGKSA-N 1 1 293.798 3.104 20 30 CGEDMO N#Cc1cnccc1C[N@H+]1CCC[C@H](C2CCCC2)C1 ZINC001198704994 811536445 /nfs/dbraw/zinc/53/64/45/811536445.db2.gz FXXWTMQCIWUQRU-HNNXBMFYSA-N 1 1 269.392 3.355 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H](Oc2ncccn2)C1 ZINC001201798060 811966886 /nfs/dbraw/zinc/96/68/86/811966886.db2.gz NEVONHIFBFVRQH-HNNXBMFYSA-N 1 1 277.412 3.290 20 30 CGEDMO CCCCCCCCN1CC[NH+](CCC(C)(C)O)CC1 ZINC001201840266 811969524 /nfs/dbraw/zinc/96/95/24/811969524.db2.gz RKGBTVJTYQNMBU-UHFFFAOYSA-N 1 1 284.488 3.126 20 30 CGEDMO CCCCCCCCC[NH+]1CC(OCCOC)C1 ZINC001201852537 811972246 /nfs/dbraw/zinc/97/22/46/811972246.db2.gz CIDUCIYEDPJMMM-UHFFFAOYSA-N 1 1 257.418 3.084 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cccc2nonc21 ZINC001203137614 812251030 /nfs/dbraw/zinc/25/10/30/812251030.db2.gz LYXALNDSAOOQGJ-UHFFFAOYSA-N 1 1 279.343 3.411 20 30 CGEDMO N#Cc1ccc2c(c1)CC[N@@H+](Cc1ccccc1F)C2 ZINC001203345938 812316400 /nfs/dbraw/zinc/31/64/00/812316400.db2.gz CYPAORNXWCRVQL-UHFFFAOYSA-N 1 1 266.319 3.256 20 30 CGEDMO N#Cc1ccc2c(c1)CC[N@H+](Cc1ccccc1F)C2 ZINC001203345938 812316405 /nfs/dbraw/zinc/31/64/05/812316405.db2.gz CYPAORNXWCRVQL-UHFFFAOYSA-N 1 1 266.319 3.256 20 30 CGEDMO CCOc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001203543644 812389746 /nfs/dbraw/zinc/38/97/46/812389746.db2.gz FYLFVAHCFCCXCT-MKZZRHPPSA-N 1 1 270.376 3.352 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Cl)ccc1O ZINC001203664196 812422113 /nfs/dbraw/zinc/42/21/13/812422113.db2.gz QRKAAZFPKZTVDA-OJNYZHBWSA-N 1 1 276.767 3.312 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@H](C#N)CC2)c(C)c1C ZINC001203724267 812441881 /nfs/dbraw/zinc/44/18/81/812441881.db2.gz DQLLXVNYAORLHD-HNNXBMFYSA-N 1 1 272.392 3.438 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccc(OC(C)=O)c(OC)c1 ZINC001203836914 812472127 /nfs/dbraw/zinc/47/21/27/812472127.db2.gz KVIPKEIMPPDTJF-UHFFFAOYSA-N 1 1 291.391 3.409 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cc(OC)cc(OC)c1 ZINC001203859093 812474670 /nfs/dbraw/zinc/47/46/70/812474670.db2.gz ZQJJYMYZVGBRDB-UHFFFAOYSA-N 1 1 263.381 3.492 20 30 CGEDMO COc1ccc(C[N@@H+](CCC#N)C2CCCC2)cc1 ZINC001203955583 812501245 /nfs/dbraw/zinc/50/12/45/812501245.db2.gz ILZVSWYRHFZCDI-UHFFFAOYSA-N 1 1 258.365 3.353 20 30 CGEDMO Cc1[nH]c2ccccc2c1C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001204289774 812600271 /nfs/dbraw/zinc/60/02/71/812600271.db2.gz NSSPLNSFCZBSGQ-INIZCTEOSA-N 1 1 298.411 3.250 20 30 CGEDMO Cc1[nH]c2ccccc2c1C[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001204289774 812600275 /nfs/dbraw/zinc/60/02/75/812600275.db2.gz NSSPLNSFCZBSGQ-INIZCTEOSA-N 1 1 298.411 3.250 20 30 CGEDMO Cc1[nH]c2ccccc2c1C[N@H+]1CCC2SC(=O)C=C2C1 ZINC001204289774 812600279 /nfs/dbraw/zinc/60/02/79/812600279.db2.gz NSSPLNSFCZBSGQ-INIZCTEOSA-N 1 1 298.411 3.250 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1ccc(N2CCCC2)cc1 ZINC001204327445 812614902 /nfs/dbraw/zinc/61/49/02/812614902.db2.gz UMGLTSJVLFENAG-UHFFFAOYSA-N 1 1 271.408 3.412 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1ccc(N2CCCC2)cc1 ZINC001204327445 812614904 /nfs/dbraw/zinc/61/49/04/812614904.db2.gz UMGLTSJVLFENAG-UHFFFAOYSA-N 1 1 271.408 3.412 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccccc2C#N)CCC1(F)F ZINC001204368127 812623236 /nfs/dbraw/zinc/62/32/36/812623236.db2.gz KDMLYLWRJDHJSX-LBPRGKRZSA-N 1 1 264.319 3.425 20 30 CGEDMO C[C@]1(F)CCC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1 ZINC001205459265 812986213 /nfs/dbraw/zinc/98/62/13/812986213.db2.gz KFHYLIJLFPUGML-HNNXBMFYSA-N 1 1 264.319 3.411 20 30 CGEDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](OCc1ccccc1C#N)C2 ZINC001205584688 813011659 /nfs/dbraw/zinc/01/16/59/813011659.db2.gz FLEDRHPJGRBSIX-PIIMJCKOSA-N 1 1 284.403 3.479 20 30 CGEDMO N#CCCCO[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001205647786 813039526 /nfs/dbraw/zinc/03/95/26/813039526.db2.gz FWZIGPZEIAZZDS-PIIMJCKOSA-N 1 1 284.403 3.217 20 30 CGEDMO C=CC[C@H]([NH2+]C1CCC2(CCC2)CC1)C(=O)OCC ZINC001205661721 813046765 /nfs/dbraw/zinc/04/67/65/813046765.db2.gz ZAYNXLWQDHTVDH-AWEZNQCLSA-N 1 1 265.397 3.197 20 30 CGEDMO C[C@@H](c1ccccn1)[N@H+]1CCC[C@@H](OCCCCC#N)C1 ZINC001205672103 813050025 /nfs/dbraw/zinc/05/00/25/813050025.db2.gz HWGNXQUEOOSMKM-JKSUJKDBSA-N 1 1 287.407 3.317 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccsc2)C1 ZINC001205884390 813118720 /nfs/dbraw/zinc/11/87/20/813118720.db2.gz XVRLPTCURYRBSH-UMVBOHGHSA-N 1 1 292.448 3.153 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1Nc1cccc(C#N)c1F ZINC001206738198 813413477 /nfs/dbraw/zinc/41/34/77/813413477.db2.gz YFIULWDZGJOHKO-UHFFFAOYSA-N 1 1 270.311 3.210 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1Nc1cc(F)c(F)c(C#N)c1 ZINC001206748436 813418869 /nfs/dbraw/zinc/41/88/69/813418869.db2.gz HTOLNRQNQITOHR-UHFFFAOYSA-N 1 1 288.301 3.350 20 30 CGEDMO C#Cc1ccc(Nc2c[nH+]c(N(C)C)cc2C)cc1F ZINC001206755005 813423352 /nfs/dbraw/zinc/42/33/52/813423352.db2.gz UYDIRRVCTYUCJT-UHFFFAOYSA-N 1 1 269.323 3.320 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)Cc1ccnc(CC)n1 ZINC001207090767 813484250 /nfs/dbraw/zinc/48/42/50/813484250.db2.gz GUSRIKFXBRPQLV-UHFFFAOYSA-N 1 1 267.376 3.227 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1ccnc(CC)n1 ZINC001207090767 813484257 /nfs/dbraw/zinc/48/42/57/813484257.db2.gz GUSRIKFXBRPQLV-UHFFFAOYSA-N 1 1 267.376 3.227 20 30 CGEDMO Cn1cc(C[N@H+]2CC[C@H](C3CCCCC3)C2)cc1C#N ZINC001207109635 813486931 /nfs/dbraw/zinc/48/69/31/813486931.db2.gz PQMJALSYNXBTKM-INIZCTEOSA-N 1 1 271.408 3.299 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1C[N@@H+](CCCCC)C[C@H]1C ZINC001207107217 813487735 /nfs/dbraw/zinc/48/77/35/813487735.db2.gz BJHJUFVNWSKCBF-NVXWUHKLSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001207677339 813632419 /nfs/dbraw/zinc/63/24/19/813632419.db2.gz ARYUVLZSOHSIBV-BRWVUGGUSA-N 1 1 290.451 3.136 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001208120965 813697721 /nfs/dbraw/zinc/69/77/21/813697721.db2.gz XDZYDGQEKYMUAF-PQAPVRDISA-N 1 1 257.393 3.308 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CC[C@H](N(C)C(C)=O)C1 ZINC001208124548 813698357 /nfs/dbraw/zinc/69/83/57/813698357.db2.gz RYDVBJIICAELQV-DVQDXYAYSA-N 1 1 280.456 3.456 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+](CC)CCN(C)C)CC1 ZINC001208168105 813722818 /nfs/dbraw/zinc/72/28/18/813722818.db2.gz IBIMAUGUMQBLOJ-MRXNPFEDSA-N 1 1 250.430 3.173 20 30 CGEDMO C=C(C)[C@@H]1CC=C(CN(CC)CC[NH+](C)C)CC1 ZINC001208168105 813722821 /nfs/dbraw/zinc/72/28/21/813722821.db2.gz IBIMAUGUMQBLOJ-MRXNPFEDSA-N 1 1 250.430 3.173 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@H]3CCO[C@H]3C2)CC1 ZINC001208171440 813726166 /nfs/dbraw/zinc/72/61/66/813726166.db2.gz TTXLJIHCKBVVIV-ZACQAIPSSA-N 1 1 261.409 3.400 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+](CCCO)C(C)C)CC1 ZINC001208176593 813728516 /nfs/dbraw/zinc/72/85/16/813728516.db2.gz IBTRXFHUAPWTJN-MRXNPFEDSA-N 1 1 251.414 3.382 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCc3ncncc3C2)CC1 ZINC001208177426 813728910 /nfs/dbraw/zinc/72/89/10/813728910.db2.gz RZBRCLJWBFBRAK-OAHLLOKOSA-N 1 1 269.392 3.137 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@]3(CCC(=O)O3)C2)CC1 ZINC001208178173 813729455 /nfs/dbraw/zinc/72/94/55/813729455.db2.gz LVOZXWNVMCZQHX-AEFFLSMTSA-N 1 1 289.419 3.461 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+](C)Cc2ccncn2)CC1 ZINC001208179148 813730557 /nfs/dbraw/zinc/73/05/57/813730557.db2.gz NSCMRVDMJCZJPM-OAHLLOKOSA-N 1 1 257.381 3.211 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](CC2(c3ccccc3)CCOCC2)C1 ZINC001208238262 813751474 /nfs/dbraw/zinc/75/14/74/813751474.db2.gz UHKFGKKSEZJLFP-QGZVFWFLSA-N 1 1 283.415 3.080 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC(C)=C(C)C)C1 ZINC001208348100 813757163 /nfs/dbraw/zinc/75/71/63/813757163.db2.gz SYWYTYKGVJYNGP-HZPDHXFCSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@@H+](CC/C=C/CC)C[C@H]1C ZINC001208392861 813759269 /nfs/dbraw/zinc/75/92/69/813759269.db2.gz DFVOZUCRUOSRMU-LYHUAREISA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](CC(CC)CC)C[C@H]1C ZINC001208391211 813759823 /nfs/dbraw/zinc/75/98/23/813759823.db2.gz LLZQJCXOPRFCPV-ZMSDIMECSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(CCC)CCC)C1 ZINC001208441423 813760576 /nfs/dbraw/zinc/76/05/76/813760576.db2.gz FXOHCPVISKJURO-GDBMZVCRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1C[N@@H+](CCCC(C)C)C[C@H]1C ZINC001208511811 813765139 /nfs/dbraw/zinc/76/51/39/813765139.db2.gz KRXCRMPUQKKKEO-JFIYKMOQSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC001208544814 813766368 /nfs/dbraw/zinc/76/63/68/813766368.db2.gz VXOYFKUOKFXRRR-BZUAXINKSA-N 1 1 290.451 3.134 20 30 CGEDMO C=CC[N@@H+](C)CCCc1cccc(Br)c1 ZINC001208826504 813857233 /nfs/dbraw/zinc/85/72/33/813857233.db2.gz XCOFBMXQTBIOJH-UHFFFAOYSA-N 1 1 268.198 3.500 20 30 CGEDMO N#Cc1cccc(CCC[N@H+]2C[C@H]3[C@H](CCC3(F)F)C2)c1 ZINC001208851489 813867295 /nfs/dbraw/zinc/86/72/95/813867295.db2.gz GNROPDCULMIRHP-CVEARBPZSA-N 1 1 290.357 3.468 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](CCCc2ccc(C#N)cc2)C1 ZINC001208857947 813869787 /nfs/dbraw/zinc/86/97/87/813869787.db2.gz HVTIJGVNQJYGGJ-KRWDZBQOSA-N 1 1 267.376 3.117 20 30 CGEDMO CCCCCN1CC[NH+](CCCc2ccc(C#N)cc2)CC1 ZINC001208858218 813869979 /nfs/dbraw/zinc/86/99/79/813869979.db2.gz JJUADVYJZRWZKE-UHFFFAOYSA-N 1 1 299.462 3.299 20 30 CGEDMO CC1(C)C[N@@H+](CCc2ccc(C#N)cc2)CCC1(F)F ZINC001208925951 813901429 /nfs/dbraw/zinc/90/14/29/813901429.db2.gz ZPXQRGINDAIMHF-UHFFFAOYSA-N 1 1 278.346 3.468 20 30 CGEDMO C[N@@H+](CCc1ccc(C#N)cc1)CC1CC(F)(F)C1 ZINC001208926802 813902309 /nfs/dbraw/zinc/90/23/09/813902309.db2.gz CKNFYISTTGVYGI-UHFFFAOYSA-N 1 1 264.319 3.078 20 30 CGEDMO C[N@@H+](CCc1ccc(C#N)cc1)CCc1cccc(F)c1 ZINC001208929216 813902904 /nfs/dbraw/zinc/90/29/04/813902904.db2.gz OCRUMSUJWLSQQL-UHFFFAOYSA-N 1 1 282.362 3.414 20 30 CGEDMO C=CC[N@H+](C)CCCCCCCCCC(=O)OC ZINC001209097727 813932767 /nfs/dbraw/zinc/93/27/67/813932767.db2.gz MEIBJLIGJZASNJ-UHFFFAOYSA-N 1 1 255.402 3.398 20 30 CGEDMO N#CCC[N@@H+](CC1CCC2(CC1)OCCO2)C1CCCC1 ZINC001209103078 813934657 /nfs/dbraw/zinc/93/46/57/813934657.db2.gz PQVYMVJSLACRKT-UHFFFAOYSA-N 1 1 292.423 3.078 20 30 CGEDMO C#CC[NH+](CC#C)CCc1c(Cl)cccc1Cl ZINC001209109079 813936444 /nfs/dbraw/zinc/93/64/44/813936444.db2.gz ZSXKZQHZOSFACV-UHFFFAOYSA-N 1 1 266.171 3.104 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001209158094 813950226 /nfs/dbraw/zinc/95/02/26/813950226.db2.gz KEZVBJFPVSEFMN-CQSZACIVSA-N 1 1 294.439 3.141 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC001209160372 813952418 /nfs/dbraw/zinc/95/24/18/813952418.db2.gz UHLGZDDGPCKRLM-ZWKOTPCHSA-N 1 1 270.420 3.159 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@]2(CC(=O)N(c3ccc(C)cc3)C2)C1 ZINC001209162003 813953363 /nfs/dbraw/zinc/95/33/63/813953363.db2.gz PTZWKIXHXZKHMF-LJQANCHMSA-N 1 1 298.430 3.390 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001209163188 813953394 /nfs/dbraw/zinc/95/33/94/813953394.db2.gz VIUGSXQRCVPXNR-LSDHHAIUSA-N 1 1 294.439 3.141 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001209163186 813953778 /nfs/dbraw/zinc/95/37/78/813953778.db2.gz VIUGSXQRCVPXNR-GJZGRUSLSA-N 1 1 294.439 3.141 20 30 CGEDMO CCc1cncc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)c1 ZINC001209165436 813954890 /nfs/dbraw/zinc/95/48/90/813954890.db2.gz BVTKMRNRKNCDFD-UHFFFAOYSA-N 1 1 298.415 3.309 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@](O)(C(F)(F)F)[C@@H](C)C1 ZINC001209200428 813965235 /nfs/dbraw/zinc/96/52/35/813965235.db2.gz IEMXXJSNMYUYBQ-QWHCGFSZSA-N 1 1 279.346 3.368 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@H](Oc2ncccc2OC)C1 ZINC001209208171 813968153 /nfs/dbraw/zinc/96/81/53/813968153.db2.gz LDSBACSASBSVER-HNNXBMFYSA-N 1 1 290.407 3.290 20 30 CGEDMO C[C@H]1CC(C[N@@H+](C)Cc2ccc(C#N)cc2)C[C@H](C)O1 ZINC001209387387 814009432 /nfs/dbraw/zinc/00/94/32/814009432.db2.gz GWSQIRUNAVKYJT-KBPBESRZSA-N 1 1 272.392 3.194 20 30 CGEDMO C=CCCCCC[N@H+](C(C)C)[C@H]1CCN(C(C)=O)C1 ZINC001209433139 814033689 /nfs/dbraw/zinc/03/36/89/814033689.db2.gz QSDOBLWRRHZOMF-INIZCTEOSA-N 1 1 266.429 3.064 20 30 CGEDMO C=CCCCCCC[N@H+]1Cc2cn(C)nc2[C@H](COC)C1 ZINC001209435013 814035380 /nfs/dbraw/zinc/03/53/80/814035380.db2.gz BXUKOLARMRBGFV-INIZCTEOSA-N 1 1 291.439 3.102 20 30 CGEDMO C=CCCCCCC[N@H+](C(C)C)[C@@H]1CCN(C(C)=O)C1 ZINC001209441495 814040286 /nfs/dbraw/zinc/04/02/86/814040286.db2.gz XMCVYERFLGUGKZ-QGZVFWFLSA-N 1 1 280.456 3.454 20 30 CGEDMO C=CCCCCCC[N@@H+]1CCc2ccc(=O)[nH]c2CC1 ZINC001209441218 814041841 /nfs/dbraw/zinc/04/18/41/814041841.db2.gz VQFGKSCNOXZELY-UHFFFAOYSA-N 1 1 274.408 3.324 20 30 CGEDMO Cc1cc(Cl)ncc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001209637460 814104375 /nfs/dbraw/zinc/10/43/75/814104375.db2.gz YDHABVNNQMWTFS-LBPRGKRZSA-N 1 1 263.772 3.169 20 30 CGEDMO Cc1cc(Cl)ncc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001209637460 814104377 /nfs/dbraw/zinc/10/43/77/814104377.db2.gz YDHABVNNQMWTFS-LBPRGKRZSA-N 1 1 263.772 3.169 20 30 CGEDMO N#Cc1cccc(Nc2ccc3[nH]c[nH+]c3c2)c1F ZINC001209847001 814163318 /nfs/dbraw/zinc/16/33/18/814163318.db2.gz LJPQCWJYMXCCPQ-UHFFFAOYSA-N 1 1 252.252 3.317 20 30 CGEDMO C=C[C@@H](CCCCCCC)OCC[NH+]1CCOCC1 ZINC001210224910 814353003 /nfs/dbraw/zinc/35/30/03/814353003.db2.gz KFFVWXLGHNIVFJ-INIZCTEOSA-N 1 1 269.429 3.250 20 30 CGEDMO C[C@H]1CC(=O)C=C(c2ccc(C[NH+](C)C)c(F)c2)C1 ZINC001242743613 823119607 /nfs/dbraw/zinc/11/96/07/823119607.db2.gz WWMTTYKSAUPNDL-LLVKDONJSA-N 1 1 261.340 3.270 20 30 CGEDMO C[C@H]1CC(=O)C=C(c2ccc([C@H]3CC[N@@H+](C)C3)cc2)C1 ZINC001242742771 823118912 /nfs/dbraw/zinc/11/89/12/823118912.db2.gz CHJUMGDCEZLZHK-CJNGLKHVSA-N 1 1 269.388 3.488 20 30 CGEDMO CCOC(=[NH2+])c1ccc(C2=CC(=O)C[C@@H](C)C2)cc1 ZINC001242744339 823120191 /nfs/dbraw/zinc/12/01/91/823120191.db2.gz JRSQIHXNBIXIGY-NSHDSACASA-N 1 1 257.333 3.431 20 30 CGEDMO C[N@H+]1CCc2c(C#N)c(Nc3ccccc3C#N)sc2C1 ZINC001210736619 814603242 /nfs/dbraw/zinc/60/32/42/814603242.db2.gz PYSQPXNIWHRCJJ-UHFFFAOYSA-N 1 1 294.383 3.223 20 30 CGEDMO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)CCCCC)C1 ZINC001211211954 814850252 /nfs/dbraw/zinc/85/02/52/814850252.db2.gz NGJQOUGODUZEBU-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCCC(=O)N1C[C@H]2CC[N@H+]([C@H](C)CCC=C)C[C@H]21 ZINC001221779779 816328063 /nfs/dbraw/zinc/32/80/63/816328063.db2.gz MTABZXMKYHWETP-BRWVUGGUSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CCC)C(C)C)[C@@H]2C1 ZINC001221844465 816330506 /nfs/dbraw/zinc/33/05/06/816330506.db2.gz RKWASHULPKQJQC-IXDOHACOSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CCC(C)(C)C)[C@@H]2C1 ZINC001221885451 816332370 /nfs/dbraw/zinc/33/23/70/816332370.db2.gz IRBROLOYEUIFSB-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)CC(C)(C)C)C[C@@H]21 ZINC001222261619 816391439 /nfs/dbraw/zinc/39/14/39/816391439.db2.gz BSBAGIZVEHEULK-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]2CC[N@H+](C[C@H](F)CC)[C@H]2C1 ZINC001222790571 816518372 /nfs/dbraw/zinc/51/83/72/816518372.db2.gz ZQSVKVWZWAVCST-OAGGEKHMSA-N 1 1 296.430 3.014 20 30 CGEDMO CC(C)[NH+]1CC(OCc2ccc(C(C)(C)C#N)cc2)C1 ZINC001223153563 816578764 /nfs/dbraw/zinc/57/87/64/816578764.db2.gz UZLXQPXYWZTWEW-UHFFFAOYSA-N 1 1 272.392 3.097 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]2CC[N@H+](CC[C@@H](C)F)[C@H]2C1 ZINC001223406438 816624265 /nfs/dbraw/zinc/62/42/65/816624265.db2.gz XYYLJUQJJLMGFF-OAGGEKHMSA-N 1 1 296.430 3.014 20 30 CGEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](O/C(=N\O)c1ccc(Cl)cc1)C2 ZINC001223596237 816655679 /nfs/dbraw/zinc/65/56/79/816655679.db2.gz KVKMKFINQBLDKY-ZRCAEAEXSA-N 1 1 294.782 3.118 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@](C)(CC)CCC)C[C@@H]21 ZINC001223763718 816678654 /nfs/dbraw/zinc/67/86/54/816678654.db2.gz IVOKIJXQVGMSKR-SOLBZPMBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCOc1ccccc1CO[C@H]1CCC[N@H+](C)CC1 ZINC001223786163 816684161 /nfs/dbraw/zinc/68/41/61/816684161.db2.gz VRABAJJYXZUIIQ-INIZCTEOSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC)CCC)C[C@@H]21 ZINC001223787936 816685126 /nfs/dbraw/zinc/68/51/26/816685126.db2.gz RLWWNWGUMMFZCC-BBWFWOEESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCO[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001224511743 816818047 /nfs/dbraw/zinc/81/80/47/816818047.db2.gz QVZIJAFUKYNWRV-SJLPKXTDSA-N 1 1 289.419 3.259 20 30 CGEDMO C=CCCCO[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001224511743 816818053 /nfs/dbraw/zinc/81/80/53/816818053.db2.gz QVZIJAFUKYNWRV-SJLPKXTDSA-N 1 1 289.419 3.259 20 30 CGEDMO CCC[C@@H](C#Cc1ccccc1)OC[C@@H]1CCC[N@H+]1C ZINC001224829090 816892245 /nfs/dbraw/zinc/89/22/45/816892245.db2.gz HWRFNMRAGKASFX-ROUUACIJSA-N 1 1 271.404 3.318 20 30 CGEDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(C#N)cc1)C2 ZINC001225243702 816977361 /nfs/dbraw/zinc/97/73/61/816977361.db2.gz XGIBDZUCWWNKSU-QLPKVWCKSA-N 1 1 270.376 3.341 20 30 CGEDMO Cc1cc(C)c(C#N)c(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)n1 ZINC001226088173 817269276 /nfs/dbraw/zinc/26/92/76/817269276.db2.gz MNFUDSDULROZTA-ZSHCYNCHSA-N 1 1 299.418 3.353 20 30 CGEDMO C=C(C)n1c2ccccc2nc1O[C@@H]1CC[N@H+](C(C)C)C1 ZINC001226217934 817300838 /nfs/dbraw/zinc/30/08/38/817300838.db2.gz ANALXDMQEHWFED-CQSZACIVSA-N 1 1 285.391 3.388 20 30 CGEDMO C#C[C@@H](C)Oc1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001226743197 817449409 /nfs/dbraw/zinc/44/94/09/817449409.db2.gz OYRLSMODJVCJOF-OAHLLOKOSA-N 1 1 292.382 3.040 20 30 CGEDMO C#C[C@@H](C)Oc1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001226743197 817449415 /nfs/dbraw/zinc/44/94/15/817449415.db2.gz OYRLSMODJVCJOF-OAHLLOKOSA-N 1 1 292.382 3.040 20 30 CGEDMO Cc1cc(O[C@H]2CCC[N@H+](C)CC2)cc(C)c1C#N ZINC001226830844 817478287 /nfs/dbraw/zinc/47/82/87/817478287.db2.gz DDSSVGLRJBIMQZ-AWEZNQCLSA-N 1 1 258.365 3.038 20 30 CGEDMO C=CCC1(CNC(=O)NCC[N@H+](C)CCCC)CCCC1 ZINC001227207218 817592134 /nfs/dbraw/zinc/59/21/34/817592134.db2.gz LZTUSADLVBSKKI-UHFFFAOYSA-N 1 1 295.471 3.154 20 30 CGEDMO C[N@H+](CCF)Cc1ccccc1C#Cc1ccccc1 ZINC001231579026 818127957 /nfs/dbraw/zinc/12/79/57/818127957.db2.gz WVQMEYXNQKPAIB-UHFFFAOYSA-N 1 1 267.347 3.488 20 30 CGEDMO C[N@@H+](CCF)Cc1ccccc1C#Cc1ccccc1 ZINC001231579026 818127961 /nfs/dbraw/zinc/12/79/61/818127961.db2.gz WVQMEYXNQKPAIB-UHFFFAOYSA-N 1 1 267.347 3.488 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CCc3ccc(OC)cc3C2)c1 ZINC001231658178 818150614 /nfs/dbraw/zinc/15/06/14/818150614.db2.gz QUEKFHQRMATQHE-UHFFFAOYSA-N 1 1 277.367 3.235 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CCC[C@@H]2c2ccncc2)c1 ZINC001231659037 818150956 /nfs/dbraw/zinc/15/09/56/818150956.db2.gz DTYPXYSAOAMBML-GOSISDBHSA-N 1 1 262.356 3.400 20 30 CGEDMO C#CC[NH+](CC#C)Cc1ccc(C(F)(F)F)cc1C ZINC001232005553 818230527 /nfs/dbraw/zinc/23/05/27/818230527.db2.gz OAZVSFJUEFWTCW-UHFFFAOYSA-N 1 1 265.278 3.082 20 30 CGEDMO COc1cccc2[nH]cc(C[N@H+]3CCC[C@H](C#N)CC3)c21 ZINC001232036278 818236770 /nfs/dbraw/zinc/23/67/70/818236770.db2.gz DAGBXBSPOUZVOC-ZDUSSCGKSA-N 1 1 283.375 3.302 20 30 CGEDMO Cc1ccc(C[N@H+](CCC#N)C2CCCC2)c(C)n1 ZINC001232084548 818251911 /nfs/dbraw/zinc/25/19/11/818251911.db2.gz SYAPQCZLYASHNW-UHFFFAOYSA-N 1 1 257.381 3.357 20 30 CGEDMO Cc1ccc(C[N@@H+](CCC#N)C2CCCC2)c(C)n1 ZINC001232084548 818251916 /nfs/dbraw/zinc/25/19/16/818251916.db2.gz SYAPQCZLYASHNW-UHFFFAOYSA-N 1 1 257.381 3.357 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccc(C#N)c(Cl)c2)CC[C@@]1(C)O ZINC001232112423 818257879 /nfs/dbraw/zinc/25/78/79/818257879.db2.gz WAAUVVDAGHUHDU-BLLLJJGKSA-N 1 1 292.810 3.195 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)c(Cl)c2)CCC[C@@]1(C)O ZINC001232111196 818259009 /nfs/dbraw/zinc/25/90/09/818259009.db2.gz BRFVGJGFCVBDNZ-BLLLJJGKSA-N 1 1 292.810 3.195 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)c(Cl)c2)CCC[C@]1(C)O ZINC001232111197 818259138 /nfs/dbraw/zinc/25/91/38/818259138.db2.gz BRFVGJGFCVBDNZ-LRDDRELGSA-N 1 1 292.810 3.195 20 30 CGEDMO CCCO[C@H]1CC[N@H+](Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232117777 818259870 /nfs/dbraw/zinc/25/98/70/818259870.db2.gz DOZQHFIQPNMIHB-AWEZNQCLSA-N 1 1 278.783 3.213 20 30 CGEDMO CCCO[C@H]1CC[N@@H+](Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232117777 818259871 /nfs/dbraw/zinc/25/98/71/818259871.db2.gz DOZQHFIQPNMIHB-AWEZNQCLSA-N 1 1 278.783 3.213 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C#N)c(Cl)c1)C(C)C ZINC001232120674 818260507 /nfs/dbraw/zinc/26/05/07/818260507.db2.gz WKLHQWKLPDDXSV-UHFFFAOYSA-N 1 1 266.772 3.068 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccc(O)c3ncccc23)C1 ZINC001232276259 818303080 /nfs/dbraw/zinc/30/30/80/818303080.db2.gz PYWIPORPXKUFMX-ZDUSSCGKSA-N 1 1 281.359 3.066 20 30 CGEDMO CCOc1ncc(C[N@@H+](C)Cc2cccc(C#N)c2)cc1C ZINC001232310870 818310466 /nfs/dbraw/zinc/31/04/66/818310466.db2.gz FBRVXNRORKVIKW-UHFFFAOYSA-N 1 1 295.386 3.292 20 30 CGEDMO CSc1cc(C)c(C[N@@H+]2CCC[C@H](CC#N)C2)cn1 ZINC001232348624 818324647 /nfs/dbraw/zinc/32/46/47/818324647.db2.gz SQRLFAMMQBSFCJ-CYBMUJFWSA-N 1 1 275.421 3.238 20 30 CGEDMO CSc1cc(C)c(C[N@H+]2CCC[C@H](CC#N)C2)cn1 ZINC001232348624 818324654 /nfs/dbraw/zinc/32/46/54/818324654.db2.gz SQRLFAMMQBSFCJ-CYBMUJFWSA-N 1 1 275.421 3.238 20 30 CGEDMO N#Cc1ccnc(C[N@H+]2CC[C@H](C3CCCCC3)C2)c1 ZINC001232478244 818363845 /nfs/dbraw/zinc/36/38/45/818363845.db2.gz IKCQAIZPIHFGHN-INIZCTEOSA-N 1 1 269.392 3.355 20 30 CGEDMO CC1(C)C[N@H+](Cc2ccc(Cl)cc2C#N)[C@](C)(CO)C1 ZINC001232604720 818393526 /nfs/dbraw/zinc/39/35/26/818393526.db2.gz GZMKSMBKJRIVJP-INIZCTEOSA-N 1 1 292.810 3.195 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(Cl)cc2C#N)[C@](C)(CO)C1 ZINC001232604720 818393534 /nfs/dbraw/zinc/39/35/34/818393534.db2.gz GZMKSMBKJRIVJP-INIZCTEOSA-N 1 1 292.810 3.195 20 30 CGEDMO CCCCCCC[N@@H+](C)Cc1ccnc(C(=O)OC)c1 ZINC001232770654 818435356 /nfs/dbraw/zinc/43/53/56/818435356.db2.gz PQXALVUDLZSONR-UHFFFAOYSA-N 1 1 278.396 3.270 20 30 CGEDMO CC(C)C[N@@H+](C)Cc1ccc(Br)c(C#N)c1 ZINC001232892150 818466465 /nfs/dbraw/zinc/46/64/65/818466465.db2.gz BEFHWJAGMQVMBP-UHFFFAOYSA-N 1 1 281.197 3.409 20 30 CGEDMO COC(C)(C)[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1C#N ZINC001232892023 818467155 /nfs/dbraw/zinc/46/71/55/818467155.db2.gz WNPFSSYVPSLRPE-HNNXBMFYSA-N 1 1 276.355 3.087 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@@H]2Cc2ccccn2)c(C#N)c1 ZINC001232966745 818485954 /nfs/dbraw/zinc/48/59/54/818485954.db2.gz UEHMMDNMQRYANW-LJQANCHMSA-N 1 1 291.398 3.469 20 30 CGEDMO Cc1ccc(C[N@@H+](C2CCC2)C2CCOCC2)c(C#N)c1 ZINC001232969961 818488820 /nfs/dbraw/zinc/48/88/20/818488820.db2.gz ZZSSVRZKFXOYFA-UHFFFAOYSA-N 1 1 284.403 3.400 20 30 CGEDMO N#Cc1cc[nH]c1C[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001233047208 818507943 /nfs/dbraw/zinc/50/79/43/818507943.db2.gz RJPLPHAINDIBDA-CYBMUJFWSA-N 1 1 269.323 3.015 20 30 CGEDMO N#Cc1cc[nH]c1C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001233047208 818507950 /nfs/dbraw/zinc/50/79/50/818507950.db2.gz RJPLPHAINDIBDA-CYBMUJFWSA-N 1 1 269.323 3.015 20 30 CGEDMO CCCC[N@@H+](CC)Cc1ccc(N(C)C)c(C#N)c1F ZINC001233097537 818520735 /nfs/dbraw/zinc/52/07/35/818520735.db2.gz UEFAOQHSVIRSFT-UHFFFAOYSA-N 1 1 277.387 3.385 20 30 CGEDMO C[C@H]1CCCC[N@H+]1Cc1ccc(N(C)C)c(C#N)c1F ZINC001233096533 818521137 /nfs/dbraw/zinc/52/11/37/818521137.db2.gz HXICVCOARMTMBL-LBPRGKRZSA-N 1 1 275.371 3.138 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cc(Br)c[nH]c1=O ZINC001233187805 818537987 /nfs/dbraw/zinc/53/79/87/818537987.db2.gz OHMXCGXRESRBKU-UHFFFAOYSA-N 1 1 299.212 3.338 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1cc(F)c(OC)cc1F ZINC001233344179 818590019 /nfs/dbraw/zinc/59/00/19/818590019.db2.gz RTBXYHZZSLRMAB-UHFFFAOYSA-N 1 1 255.308 3.371 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(F)c(OC)cc1F ZINC001233344179 818590026 /nfs/dbraw/zinc/59/00/26/818590026.db2.gz RTBXYHZZSLRMAB-UHFFFAOYSA-N 1 1 255.308 3.371 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](Cc2cc3cccnc3s2)CC1 ZINC001233348503 818591738 /nfs/dbraw/zinc/59/17/38/818591738.db2.gz DYRHAROWKLMMGL-GFCCVEGCSA-N 1 1 271.389 3.422 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](Cc2cc3cccnc3s2)C1 ZINC001233349642 818594046 /nfs/dbraw/zinc/59/40/46/818594046.db2.gz BFLKGPSUGNCXGV-CQSZACIVSA-N 1 1 257.362 3.032 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](Cc2cc3cccnc3s2)C1 ZINC001233349642 818594053 /nfs/dbraw/zinc/59/40/53/818594053.db2.gz BFLKGPSUGNCXGV-CQSZACIVSA-N 1 1 257.362 3.032 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2cn3ccc(Cl)cc3n2)CC1 ZINC001233391519 818608526 /nfs/dbraw/zinc/60/85/26/818608526.db2.gz KRSRKRLXVSVJIN-LBPRGKRZSA-N 1 1 288.782 3.113 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2cn3ccc(Cl)cc3n2)CC1 ZINC001233391519 818608531 /nfs/dbraw/zinc/60/85/31/818608531.db2.gz KRSRKRLXVSVJIN-LBPRGKRZSA-N 1 1 288.782 3.113 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)/C=C/C1CC1 ZINC001233488348 818626993 /nfs/dbraw/zinc/62/69/93/818626993.db2.gz FGLSTSTXXDIJGR-DVQDXYAYSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CC(C)C1 ZINC001233539227 818635873 /nfs/dbraw/zinc/63/58/73/818635873.db2.gz NNYAQCIYTVSTPI-JCYILVPMSA-N 1 1 292.467 3.312 20 30 CGEDMO N#C[C@H](Oc1ccc2[nH+]ccn2c1)c1ccccc1F ZINC001233755640 818699438 /nfs/dbraw/zinc/69/94/38/818699438.db2.gz RXKZLPOXAUXPIQ-AWEZNQCLSA-N 1 1 267.263 3.117 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccoc1Cl ZINC001233915006 818730713 /nfs/dbraw/zinc/73/07/13/818730713.db2.gz JWVPLRNKOUXQOU-LBPRGKRZSA-N 1 1 296.798 3.046 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(C)coc1C ZINC001234030738 818762231 /nfs/dbraw/zinc/76/22/31/818762231.db2.gz WVMURAPBXVIHQP-HNNXBMFYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(-n2ccnc2)c(OC)c1 ZINC001234074944 818772738 /nfs/dbraw/zinc/77/27/38/818772738.db2.gz DKZADDGZKIIANT-UHFFFAOYSA-N 1 1 285.391 3.279 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)CC(C)(C)C1CC1 ZINC001234111754 818784465 /nfs/dbraw/zinc/78/44/65/818784465.db2.gz LPTHKLZIJPEHKU-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@@H+]1CC/C=C/CC ZINC001234604694 818889838 /nfs/dbraw/zinc/88/98/38/818889838.db2.gz TXVYIFDMCOOOSK-FYCOFBDGSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@H+]1CCC1CCCC1 ZINC001234625297 818894570 /nfs/dbraw/zinc/89/45/70/818894570.db2.gz KKFSVZQUQRZOKG-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCCCCCCCN1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001235025493 818983078 /nfs/dbraw/zinc/98/30/78/818983078.db2.gz CMYWUXNNZWXUND-JKSUJKDBSA-N 1 1 250.430 3.197 20 30 CGEDMO N#CCC1C[NH+](Cc2ccc(Oc3cccnc3)cc2)C1 ZINC001235111192 819007765 /nfs/dbraw/zinc/00/77/65/819007765.db2.gz DRFRPDSNKBMUFZ-UHFFFAOYSA-N 1 1 279.343 3.219 20 30 CGEDMO C=CCCC[N@H+](C)CCCNC(=O)C[C@H](C)CCC ZINC001235353051 819076861 /nfs/dbraw/zinc/07/68/61/819076861.db2.gz ZWTVDFXFWOWUAU-OAHLLOKOSA-N 1 1 268.445 3.217 20 30 CGEDMO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)C1(C)CCCCCC1 ZINC001235455100 819102274 /nfs/dbraw/zinc/10/22/74/819102274.db2.gz OSJVGQIDRYKLJT-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(C)CCCCCC1 ZINC001235455100 819102278 /nfs/dbraw/zinc/10/22/78/819102278.db2.gz OSJVGQIDRYKLJT-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO COc1cc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc(F)c1F ZINC001235450852 819102962 /nfs/dbraw/zinc/10/29/62/819102962.db2.gz KMQTVGHWGVFJFI-UOJUARBOSA-N 1 1 292.329 3.240 20 30 CGEDMO COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc(F)c1F ZINC001235450852 819102964 /nfs/dbraw/zinc/10/29/64/819102964.db2.gz KMQTVGHWGVFJFI-UOJUARBOSA-N 1 1 292.329 3.240 20 30 CGEDMO N#CCc1ccccc1C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC001235522606 819113931 /nfs/dbraw/zinc/11/39/31/819113931.db2.gz HOERAZMGVWBYOF-ZDUSSCGKSA-N 1 1 268.282 3.137 20 30 CGEDMO N#CCc1ccccc1C[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC001235522460 819114228 /nfs/dbraw/zinc/11/42/28/819114228.db2.gz GQFNUCIEQFJWCD-LJQANCHMSA-N 1 1 292.382 3.326 20 30 CGEDMO N#CCc1ccccc1C[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC001235522460 819114232 /nfs/dbraw/zinc/11/42/32/819114232.db2.gz GQFNUCIEQFJWCD-LJQANCHMSA-N 1 1 292.382 3.326 20 30 CGEDMO N#CCc1ccccc1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC001235523169 819114522 /nfs/dbraw/zinc/11/45/22/819114522.db2.gz MCIKBUWERQEAOI-GOSISDBHSA-N 1 1 277.371 3.485 20 30 CGEDMO C[N@@H+](Cc1cccc2c1OCO2)Cc1ccccc1CC#N ZINC001235528308 819116078 /nfs/dbraw/zinc/11/60/78/819116078.db2.gz PRHGSRWKKUJZRK-UHFFFAOYSA-N 1 1 294.354 3.113 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2ccccc2-c2ccncc2)C1 ZINC001235627709 819129143 /nfs/dbraw/zinc/12/91/43/819129143.db2.gz JAOHVMQVIFFWHH-OAHLLOKOSA-N 1 1 277.371 3.484 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2ccccc2-c2ccncc2)C1 ZINC001235627709 819129146 /nfs/dbraw/zinc/12/91/46/819129146.db2.gz JAOHVMQVIFFWHH-OAHLLOKOSA-N 1 1 277.371 3.484 20 30 CGEDMO N#Cc1cc(F)c(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)c(F)c1 ZINC001235655232 819130716 /nfs/dbraw/zinc/13/07/16/819130716.db2.gz VXCLRWRUTOORIK-STQMWFEESA-N 1 1 276.330 3.458 20 30 CGEDMO COCCC1CC[NH+](Cc2c(F)cc(C#N)cc2F)CC1 ZINC001235657573 819130885 /nfs/dbraw/zinc/13/08/85/819130885.db2.gz RSBQVZJLYTXBCF-UHFFFAOYSA-N 1 1 294.345 3.085 20 30 CGEDMO CC(C)(C)c1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)c(O)c1 ZINC001235682579 819140338 /nfs/dbraw/zinc/14/03/38/819140338.db2.gz ZBZDYZKNWGSRPH-KRWDZBQOSA-N 1 1 272.392 3.425 20 30 CGEDMO CCCCCCCCCN1CCCC2(C[NH2+]C2)C1 ZINC001235710708 819146944 /nfs/dbraw/zinc/14/69/44/819146944.db2.gz DRVGSKYYGRAHAJ-UHFFFAOYSA-N 1 1 252.446 3.422 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(F)c(OCC)c2)C1 ZINC001235803749 819172591 /nfs/dbraw/zinc/17/25/91/819172591.db2.gz UMDZWKAXBGKASG-CYBMUJFWSA-N 1 1 261.340 3.070 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)C[C@@H]1[C@H](C)CNCC1(F)F ZINC001235963093 819251788 /nfs/dbraw/zinc/25/17/88/819251788.db2.gz UFCPOCDUIAGEPV-GDBMZVCRSA-N 1 1 294.389 3.165 20 30 CGEDMO CCCCCCC[N@@H+](CCOCC)C1CC[NH2+]CC1 ZINC001236459622 819486019 /nfs/dbraw/zinc/48/60/19/819486019.db2.gz BAWFHFAVBSTLBM-UHFFFAOYSA-N 1 1 270.461 3.047 20 30 CGEDMO C=CCCCCC[N@H+](CC(C)C)[C@@H]1CCCNC1 ZINC001236472867 819492917 /nfs/dbraw/zinc/49/29/17/819492917.db2.gz DYYKNEPFJVVSIS-MRXNPFEDSA-N 1 1 252.446 3.443 20 30 CGEDMO C=CCCCCCN(CC(C)C)[C@@H]1CCC[NH2+]C1 ZINC001236472867 819492923 /nfs/dbraw/zinc/49/29/23/819492923.db2.gz DYYKNEPFJVVSIS-MRXNPFEDSA-N 1 1 252.446 3.443 20 30 CGEDMO N#CCC1C[NH+](Cc2cncc(-c3ccc(F)cc3)c2)C1 ZINC001236995791 819642467 /nfs/dbraw/zinc/64/24/67/819642467.db2.gz AGVXWEBDPUSMBM-UHFFFAOYSA-N 1 1 281.334 3.233 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccnc3c(OC)cccc23)C1 ZINC001237112328 819670160 /nfs/dbraw/zinc/67/01/60/819670160.db2.gz SJFYLUHOJFFBFI-AWEZNQCLSA-N 1 1 280.371 3.089 20 30 CGEDMO C=CCCCCCCN1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237383448 819737738 /nfs/dbraw/zinc/73/77/38/819737738.db2.gz PFRYTSGMCFLULE-HOTGVXAUSA-N 1 1 250.430 3.197 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@H](F)CC2)c2cc(C#N)ccc21 ZINC001237465526 819758144 /nfs/dbraw/zinc/75/81/44/819758144.db2.gz JENAYQYGZLLDEP-HNNXBMFYSA-N 1 1 285.366 3.374 20 30 CGEDMO CC[C@@H]1CCC[N@H+]1Cc1cn(C)c2ccc(C#N)cc12 ZINC001237471325 819758715 /nfs/dbraw/zinc/75/87/15/819758715.db2.gz SOIOXMLIBOLOSE-OAHLLOKOSA-N 1 1 267.376 3.424 20 30 CGEDMO Cn1cc(C[N@H+]2CCCOC(C)(C)C2)c2cc(C#N)ccc21 ZINC001237471685 819758829 /nfs/dbraw/zinc/75/88/29/819758829.db2.gz XOEVFVITPSDTRX-UHFFFAOYSA-N 1 1 297.402 3.051 20 30 CGEDMO Cn1cc(C[N@H+](C)Cc2cncs2)c2cc(C#N)ccc21 ZINC001237472278 819758861 /nfs/dbraw/zinc/75/88/61/819758861.db2.gz FUXMJPSADSRNRP-UHFFFAOYSA-N 1 1 296.399 3.138 20 30 CGEDMO Cn1cc(C[N@@H+](C)Cc2cncs2)c2cc(C#N)ccc21 ZINC001237472278 819758864 /nfs/dbraw/zinc/75/88/64/819758864.db2.gz FUXMJPSADSRNRP-UHFFFAOYSA-N 1 1 296.399 3.138 20 30 CGEDMO COc1cccc([C@@H]2CCC[N@H+]2Cc2ccnc(C#N)c2)c1 ZINC001237467484 819759057 /nfs/dbraw/zinc/75/90/57/819759057.db2.gz VPTPTABFFQMLDS-SFHVURJKSA-N 1 1 293.370 3.299 20 30 CGEDMO C[N@H+](Cc1cc(C#N)c(F)cc1F)CC1CCC1 ZINC001237526324 819771651 /nfs/dbraw/zinc/77/16/51/819771651.db2.gz AXTVZUXKDCIDGQ-UHFFFAOYSA-N 1 1 250.292 3.068 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H](CF)C2)c(F)cc1F ZINC001237534577 819774149 /nfs/dbraw/zinc/77/41/49/819774149.db2.gz PSPQUVOIXKOASB-JTQLQIEISA-N 1 1 268.282 3.018 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H](CF)C2)c(F)cc1F ZINC001237534577 819774153 /nfs/dbraw/zinc/77/41/53/819774153.db2.gz PSPQUVOIXKOASB-JTQLQIEISA-N 1 1 268.282 3.018 20 30 CGEDMO N#Cc1ccc2nc(C[N@H+]3CC[C@H]4CCCC[C@H]4C3)cn2c1 ZINC001237613472 819787100 /nfs/dbraw/zinc/78/71/00/819787100.db2.gz HMGHEXMPMAKFNU-CVEARBPZSA-N 1 1 294.402 3.218 20 30 CGEDMO CCOc1ccc(C[NH+]2CCC(C)(C#N)CC2)c(F)c1 ZINC001237633913 819793652 /nfs/dbraw/zinc/79/36/52/819793652.db2.gz ZIURNKSWNVBIER-UHFFFAOYSA-N 1 1 276.355 3.350 20 30 CGEDMO C[C@]1(CO)CCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)CC1 ZINC001237745132 819833935 /nfs/dbraw/zinc/83/39/35/819833935.db2.gz CFTWKACBFTVEMG-INIZCTEOSA-N 1 1 292.810 3.196 20 30 CGEDMO Cc1cc(F)cc(C[N@@H+](CCC#N)C2CCCC2)c1O ZINC001238062848 819921081 /nfs/dbraw/zinc/92/10/81/819921081.db2.gz XRJIAWKAUMVGKQ-UHFFFAOYSA-N 1 1 276.355 3.498 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1cccc(-c2cc[nH]n2)c1 ZINC001238208093 819956484 /nfs/dbraw/zinc/95/64/84/819956484.db2.gz UJDUVPGQZOGRAB-UHFFFAOYSA-N 1 1 268.364 3.202 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1cccc(-c2cc[nH]n2)c1 ZINC001238208093 819956487 /nfs/dbraw/zinc/95/64/87/819956487.db2.gz UJDUVPGQZOGRAB-UHFFFAOYSA-N 1 1 268.364 3.202 20 30 CGEDMO COc1cc(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)ccc1C#N ZINC001238410406 819988433 /nfs/dbraw/zinc/98/84/33/819988433.db2.gz PRYGHHUVEFKTEC-GOEBONIOSA-N 1 1 270.376 3.189 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(C)c(C)cc2OC)C1 ZINC001238768609 820113234 /nfs/dbraw/zinc/11/32/34/820113234.db2.gz YHFJLOXFYDBIME-HNNXBMFYSA-N 1 1 257.377 3.157 20 30 CGEDMO CCc1cc(CN2CCC([N@H+](C)CC)CC2)ccc1C#N ZINC001238771762 820115152 /nfs/dbraw/zinc/11/51/52/820115152.db2.gz JAEZIHNPGCLJDQ-UHFFFAOYSA-N 1 1 285.435 3.037 20 30 CGEDMO CCc1cc(C[N@H+](CC)C2CCOCC2)ccc1C#N ZINC001238775139 820115348 /nfs/dbraw/zinc/11/53/48/820115348.db2.gz OKXHMNAMFYFANQ-UHFFFAOYSA-N 1 1 272.392 3.122 20 30 CGEDMO CCc1cc(C[N@H+](CC)CCN2CCCCC2)ccc1C#N ZINC001238778332 820116938 /nfs/dbraw/zinc/11/69/38/820116938.db2.gz MANISPFKDOHXJF-UHFFFAOYSA-N 1 1 299.462 3.428 20 30 CGEDMO CCc1cc(C[N@@H+](CC)CCN2CCCCC2)ccc1C#N ZINC001238778332 820116939 /nfs/dbraw/zinc/11/69/39/820116939.db2.gz MANISPFKDOHXJF-UHFFFAOYSA-N 1 1 299.462 3.428 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2cnn(C)c2)cc1 ZINC001240297769 820943247 /nfs/dbraw/zinc/94/32/47/820943247.db2.gz PVYJGCBKJLAOSJ-QGZVFWFLSA-N 1 1 267.376 3.410 20 30 CGEDMO N#Cc1cc(F)cnc1C1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001240384364 821008809 /nfs/dbraw/zinc/00/88/09/821008809.db2.gz LHQJCBBHOISVCG-UHFFFAOYSA-N 1 1 293.345 3.382 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1-c1ccc(F)c(CC#N)c1 ZINC001241243409 821664791 /nfs/dbraw/zinc/66/47/91/821664791.db2.gz SMEUIBNXPBBQBE-UHFFFAOYSA-N 1 1 269.323 3.328 20 30 CGEDMO N#CCc1ccncc1C1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001241506884 821907106 /nfs/dbraw/zinc/90/71/06/821907106.db2.gz NAPDNZGWCRIMPR-UHFFFAOYSA-N 1 1 289.382 3.437 20 30 CGEDMO Cc1cc(N)[nH+]cc1-c1ccnc2cc(C#N)ccc21 ZINC001242085232 822341325 /nfs/dbraw/zinc/34/13/25/822341325.db2.gz MWCIKILGQOJYME-UHFFFAOYSA-N 1 1 260.300 3.059 20 30 CGEDMO COc1cccc(-c2ccc3c(c2)C[N@H+](C)CC3)c1C#N ZINC001242300853 822944600 /nfs/dbraw/zinc/94/46/00/822944600.db2.gz WDWXNYAUKMCFCH-UHFFFAOYSA-N 1 1 278.355 3.222 20 30 CGEDMO C[N@H+]1CCc2cc(-c3ccc(F)cc3C#N)ccc2C1 ZINC001242583248 823044440 /nfs/dbraw/zinc/04/44/40/823044440.db2.gz SMIKDZZYCNADJP-UHFFFAOYSA-N 1 1 266.319 3.352 20 30 CGEDMO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](CC)C1 ZINC001330314853 935284953 /nfs/dbraw/zinc/28/49/53/935284953.db2.gz FVFVIVVBJAQKDF-BBWFWOEESA-N 1 1 264.457 3.443 20 30 CGEDMO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCN(CC)C1 ZINC001330314853 935284955 /nfs/dbraw/zinc/28/49/55/935284955.db2.gz FVFVIVVBJAQKDF-BBWFWOEESA-N 1 1 264.457 3.443 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccc(N(CC)CC)cc2)C1 ZINC001342325120 936465013 /nfs/dbraw/zinc/46/50/13/936465013.db2.gz KZEOKJVVEFIGPH-SFHVURJKSA-N 1 1 288.435 3.310 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)Cc1ccc([S@@](C)=O)cc1 ZINC001343322598 936495081 /nfs/dbraw/zinc/49/50/81/936495081.db2.gz JSFSENIPOBWIFI-OAQYLSRUSA-N 1 1 297.423 3.059 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc([S@@](C)=O)cc1 ZINC001343322598 936495084 /nfs/dbraw/zinc/49/50/84/936495084.db2.gz JSFSENIPOBWIFI-OAQYLSRUSA-N 1 1 297.423 3.059 20 30 CGEDMO N#CC1(CC(=O)O[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCCC1 ZINC001343478073 936503334 /nfs/dbraw/zinc/50/33/34/936503334.db2.gz NEDHOCVKLKGIJM-LSDHHAIUSA-N 1 1 290.407 3.021 20 30 CGEDMO N#CC[C@]1(O)CC[N@@H+](Cc2ccc(-c3ccccc3)s2)C1 ZINC001346043055 936835273 /nfs/dbraw/zinc/83/52/73/936835273.db2.gz GISHTCMRHMLYIH-KRWDZBQOSA-N 1 1 298.411 3.266 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@H](F)CC)C1 ZINC001479909531 936921923 /nfs/dbraw/zinc/92/19/23/936921923.db2.gz ZFHUEBYZVVNHHQ-LSDHHAIUSA-N 1 1 284.419 3.062 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](N2CCCC2)C[C@@H]1C(C)C ZINC001473877991 937826537 /nfs/dbraw/zinc/82/65/37/937826537.db2.gz YXSQDYXEGADQQB-HZPDHXFCSA-N 1 1 250.430 3.147 20 30 CGEDMO CC(C)C[C@H](CO)[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC001354625083 937108760 /nfs/dbraw/zinc/10/87/60/937108760.db2.gz BQNVLZLVDIKOBL-OAHLLOKOSA-N 1 1 280.799 3.050 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](F)c1ccccc1 ZINC001480916861 926786100 /nfs/dbraw/zinc/78/61/00/926786100.db2.gz AXTJTWOUNAAGPZ-HOCLYGCPSA-N 1 1 292.398 3.100 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCNC(=O)C12CCC(CC1)C2(C)C ZINC001480921942 926796201 /nfs/dbraw/zinc/79/62/01/926796201.db2.gz UXOCZUFLTUUMPS-UHFFFAOYSA-N 1 1 292.467 3.217 20 30 CGEDMO Cn1ccc2cc[nH+]c(NCCc3ccc(C#N)cc3)c21 ZINC001167678466 926824690 /nfs/dbraw/zinc/82/46/90/926824690.db2.gz JKDOWGSZLHIOEM-UHFFFAOYSA-N 1 1 276.343 3.100 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001481109919 926888170 /nfs/dbraw/zinc/88/81/70/926888170.db2.gz WEWMGSIWLWEQNL-QAPCUYQASA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC1(C(=O)NCC[N@H+](CC=C(C)C)C2CC2)CCC1 ZINC001481184282 926902267 /nfs/dbraw/zinc/90/22/67/926902267.db2.gz FCRNXVCUQIPBOC-UHFFFAOYSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC001481517973 927011314 /nfs/dbraw/zinc/01/13/14/927011314.db2.gz CFRPAKWPGWUGMM-INIZCTEOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)CC2CCCCC2)C1 ZINC001481693851 927057103 /nfs/dbraw/zinc/05/71/03/927057103.db2.gz VWKYDGSICLKBJG-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)C(CC)CC)C1 ZINC001481758869 927080378 /nfs/dbraw/zinc/08/03/78/927080378.db2.gz BNKUMJPDMNQGJZ-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)C2=CCCC2)C1 ZINC001481763974 927083740 /nfs/dbraw/zinc/08/37/40/927083740.db2.gz JIRHGBMMHJEOCJ-DOTOQJQBSA-N 1 1 290.451 3.374 20 30 CGEDMO C=CCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)C1CCC1 ZINC001482430693 927237956 /nfs/dbraw/zinc/23/79/56/927237956.db2.gz RWBSINJAXUWVLJ-GOSISDBHSA-N 1 1 298.430 3.078 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC001502386906 927258847 /nfs/dbraw/zinc/25/88/47/927258847.db2.gz GVOCYFRTKJGSHW-IAGOWNOFSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)c1cc(C)cs1 ZINC001482594566 927313829 /nfs/dbraw/zinc/31/38/29/927313829.db2.gz BHMOTXNKVMTPAM-UHFFFAOYSA-N 1 1 280.437 3.027 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)c1cc2occc2s1 ZINC001496781657 927365060 /nfs/dbraw/zinc/36/50/60/927365060.db2.gz XFGVUJFEIMFWFQ-UHFFFAOYSA-N 1 1 292.404 3.074 20 30 CGEDMO C=CCCCC(=O)N1CC2(C1)CCC[N@H+](C[C@@H](C)CC)C2 ZINC001506865261 927408967 /nfs/dbraw/zinc/40/89/67/927408967.db2.gz IOMKUFXDVVDRQP-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H](C)C[NH2+]C/C(Cl)=C/Cl ZINC001483270118 927468177 /nfs/dbraw/zinc/46/81/77/927468177.db2.gz KIVGNPWLIBQKQE-QBQSQJOESA-N 1 1 293.238 3.002 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001473137732 937164537 /nfs/dbraw/zinc/16/45/37/937164537.db2.gz WBBDTGDVBABLPW-UONOGXRCSA-N 1 1 282.428 3.282 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)C1C=CC=CC=C1 ZINC001483344059 927486219 /nfs/dbraw/zinc/48/62/19/927486219.db2.gz OPYFLQYAXZMESB-CVEARBPZSA-N 1 1 288.435 3.076 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)C1(C2CCCCC2)CC1 ZINC001483412570 927500706 /nfs/dbraw/zinc/50/07/06/927500706.db2.gz XIBZOCCPPVXWDC-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CCc2ccc(OCC)cc2C1 ZINC001307434557 927531811 /nfs/dbraw/zinc/53/18/11/927531811.db2.gz XMEBTPUEFVQWEK-CQSZACIVSA-N 1 1 257.377 3.245 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)CC1=CCCCC1 ZINC001483639358 927556822 /nfs/dbraw/zinc/55/68/22/927556822.db2.gz IBOFRWSIXAJYOP-DOTOQJQBSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC=CCCC1 ZINC001483658117 927562661 /nfs/dbraw/zinc/56/26/61/927562661.db2.gz GLTRGVRXFPBXCD-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@H+](CCNC(=O)[C@@H]1CC1(C)C)C1CCCCCC1 ZINC001483814569 927627734 /nfs/dbraw/zinc/62/77/34/927627734.db2.gz KNRPQCJYVDOPHS-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](CC)CCC)C2)C1 ZINC001483833327 927630355 /nfs/dbraw/zinc/63/03/55/927630355.db2.gz JPXJUAHJNBSDHL-AEFFLSMTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C)CCC)C2)C1 ZINC001483839385 927635568 /nfs/dbraw/zinc/63/55/68/927635568.db2.gz VLUMPKCSOIBVJZ-WMZOPIPTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)CC2CC(C)(C)C2)C1 ZINC001484058127 927666597 /nfs/dbraw/zinc/66/65/97/927666597.db2.gz UHAOLNODXRCWPO-GOSISDBHSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(C)=O ZINC001484451244 927706208 /nfs/dbraw/zinc/70/62/08/927706208.db2.gz XLYVTFJKCDXDNL-HZPDHXFCSA-N 1 1 266.429 3.042 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H](C)CC ZINC001484458629 927706612 /nfs/dbraw/zinc/70/66/12/927706612.db2.gz BZRPZBFXWSPGQK-BBWFWOEESA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H](C)CC(C)C ZINC001484466826 927710291 /nfs/dbraw/zinc/71/02/91/927710291.db2.gz XBNTWKWNYIVYIK-YESZJQIVSA-N 1 1 292.467 3.310 20 30 CGEDMO C#CC[N@H+](C)Cc1ccccc1CNC(=O)C=C(CC)CC ZINC001484555465 927722255 /nfs/dbraw/zinc/72/22/55/927722255.db2.gz NHSQRCUNKDRREB-UHFFFAOYSA-N 1 1 298.430 3.114 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)C1CCC(F)CC1 ZINC001484757911 927755890 /nfs/dbraw/zinc/75/58/90/927755890.db2.gz XHDUJABOYGPTRR-UHFFFAOYSA-N 1 1 298.446 3.261 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[N@@H+](CC2CCC2)[C@H](C)C1 ZINC001484971914 927777195 /nfs/dbraw/zinc/77/71/95/927777195.db2.gz JPKUDPCQHAZKLG-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)c1c(C)cccc1C ZINC001485068914 927799885 /nfs/dbraw/zinc/79/98/85/927799885.db2.gz ILLQEMNGLDYVGY-MRXNPFEDSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC[C@H]1C[N@H+](C)CC(=C)Cl ZINC001485067140 927799911 /nfs/dbraw/zinc/79/99/11/927799911.db2.gz IHSBOPMWVKYAKT-GJZGRUSLSA-N 1 1 298.858 3.264 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC[C@H]1C[N@@H+](C)CC(=C)Cl ZINC001485067140 927799915 /nfs/dbraw/zinc/79/99/15/927799915.db2.gz IHSBOPMWVKYAKT-GJZGRUSLSA-N 1 1 298.858 3.264 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)C1(CC)CCCC1 ZINC001485073840 927804901 /nfs/dbraw/zinc/80/49/01/927804901.db2.gz WBEAQRBZXVMHST-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](CC)CCCCC ZINC001485081082 927805244 /nfs/dbraw/zinc/80/52/44/927805244.db2.gz ZUCYBVCHJYLDTB-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC2(CC2)C1 ZINC001485300813 927843737 /nfs/dbraw/zinc/84/37/37/927843737.db2.gz GPTQQWZHWAUXHR-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)CNC(=O)CC/C=C\c1ccccc1 ZINC001485352490 927851817 /nfs/dbraw/zinc/85/18/17/927851817.db2.gz ZWYZQPJQEBSAGU-LJEUOOAZSA-N 1 1 286.419 3.103 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)C[C@H]1CC=CCC1 ZINC001485339080 927852794 /nfs/dbraw/zinc/85/27/94/927852794.db2.gz WFJRIYMOOOTZGH-HOTGVXAUSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)c1cccc(Cl)c1F ZINC001485346821 927854025 /nfs/dbraw/zinc/85/40/25/927854025.db2.gz XYAAZGRKCCXRHX-LLVKDONJSA-N 1 1 298.789 3.105 20 30 CGEDMO CC[C@@H]1CC[N@@H+](CCOc2cccc(C#N)c2)[C@H]1C ZINC001473402579 937199535 /nfs/dbraw/zinc/19/95/35/937199535.db2.gz LGEXZHHVZLBBBJ-DZGCQCFKSA-N 1 1 258.365 3.057 20 30 CGEDMO C#CC[NH+]1CC([C@@H](C)NC(=O)[C@](C)(CC)CCCCC)C1 ZINC001485539026 927885512 /nfs/dbraw/zinc/88/55/12/927885512.db2.gz KWBJSDRUJDLWHB-CRAIPNDOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)C[C@H](CC)C(C)(C)C)C(C)(C)C1 ZINC001485581464 927891168 /nfs/dbraw/zinc/89/11/68/927891168.db2.gz DNCMBAOQCMLOSV-GJZGRUSLSA-N 1 1 294.483 3.461 20 30 CGEDMO C/C(=C/c1ccccc1OC(F)F)C[NH2+]CCC#N ZINC000356389397 927957619 /nfs/dbraw/zinc/95/76/19/927957619.db2.gz IKJHXWHCIDVCOM-LUAWRHEFSA-N 1 1 266.291 3.195 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@]2(NC(=O)C=C(C)C)CCC[C@H]12 ZINC001486141503 927988756 /nfs/dbraw/zinc/98/87/56/927988756.db2.gz URTIPIUADNXHGM-RDJZCZTQSA-N 1 1 276.424 3.032 20 30 CGEDMO CC#CC[N@H+](C)CCN(C(=O)CC[C@@H](C)CC)C(C)C ZINC001486377421 928013697 /nfs/dbraw/zinc/01/36/97/928013697.db2.gz AZVDUOFHPJRUHS-INIZCTEOSA-N 1 1 280.456 3.005 20 30 CGEDMO C=CCCC[N@H+](CC)C[C@@H]1CCCC[C@@H]1C(=O)OC ZINC001560204467 937211872 /nfs/dbraw/zinc/21/18/72/937211872.db2.gz MJXPZUFLMSBLJC-GJZGRUSLSA-N 1 1 267.413 3.254 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC1(C)CC1 ZINC001494675063 928064666 /nfs/dbraw/zinc/06/46/66/928064666.db2.gz BEICLDRVHQROJX-PMPSAXMXSA-N 1 1 290.451 3.207 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCSC ZINC001230709712 928071514 /nfs/dbraw/zinc/07/15/14/928071514.db2.gz DKJIAPSMEABFQH-OAHLLOKOSA-N 1 1 298.496 3.019 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)CCSC ZINC001230709711 928071860 /nfs/dbraw/zinc/07/18/60/928071860.db2.gz DKJIAPSMEABFQH-HNNXBMFYSA-N 1 1 298.496 3.019 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C2(CC)CCC2)C1 ZINC001494841908 928170711 /nfs/dbraw/zinc/17/07/11/928170711.db2.gz BORJSBLNLRVCHB-HZPDHXFCSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCCC(=O)N(C)C[C@H]1CC[N@H+]1CC1CC(C)(C)C1 ZINC001488656864 928287302 /nfs/dbraw/zinc/28/73/02/928287302.db2.gz SOYMYGUJTBJVMO-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2cc3ccc(F)cc3[nH]c2=O)C1 ZINC001364994061 937234224 /nfs/dbraw/zinc/23/42/24/937234224.db2.gz MXFPWQXZRCDQOY-GFCCVEGCSA-N 1 1 299.349 3.205 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](F)C(C)C)CC(C)(C)C1 ZINC001489348276 928329107 /nfs/dbraw/zinc/32/91/07/928329107.db2.gz UNYAURVQFVUXQJ-CABCVRRESA-N 1 1 298.446 3.163 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)CC)CC(C)(C)C1 ZINC001489340852 928330790 /nfs/dbraw/zinc/33/07/90/928330790.db2.gz URKZIORDZSUCQP-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H](C)C(C)C)[C@H]1CC ZINC001368700451 937237428 /nfs/dbraw/zinc/23/74/28/937237428.db2.gz LQEMMYOENAVPRF-HZSPNIEDSA-N 1 1 286.847 3.000 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)C(C)C)[C@H]1CC ZINC001368700451 937237431 /nfs/dbraw/zinc/23/74/31/937237431.db2.gz LQEMMYOENAVPRF-HZSPNIEDSA-N 1 1 286.847 3.000 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCCNC(=O)C12CCC(CC1)CC2 ZINC001490281945 928340941 /nfs/dbraw/zinc/34/09/41/928340941.db2.gz VXCVUZXMKZRFAV-UHFFFAOYSA-N 1 1 292.467 3.361 20 30 CGEDMO CC[N@@H+](CCCNC(=O)C#CC(C)C)C[C@@H](C)CC(C)C ZINC001490323595 928346618 /nfs/dbraw/zinc/34/66/18/928346618.db2.gz URWHBUHWURIKRI-KRWDZBQOSA-N 1 1 294.483 3.156 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[N@H+](CC/C=C\CCC)C1 ZINC001490547577 928369098 /nfs/dbraw/zinc/36/90/98/928369098.db2.gz CDHQZXYNYQMNNW-MWWKQMNYSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCN(C(=O)/C(C)=C/C)C1 ZINC001490756651 928386568 /nfs/dbraw/zinc/38/65/68/928386568.db2.gz VKKVFKBXPDYAKV-NVCKSXSZSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)/C=C(/C)CC)C1 ZINC001490761461 928387536 /nfs/dbraw/zinc/38/75/36/928387536.db2.gz XQNDIIYGIDNTPI-TXQCQQFXSA-N 1 1 292.467 3.479 20 30 CGEDMO C[N@@H+](CC[C@@H](O)c1ccccc1)Cc1cc(C#N)cs1 ZINC000933770724 928635837 /nfs/dbraw/zinc/63/58/37/928635837.db2.gz RJBHNERBIMTYRT-MRXNPFEDSA-N 1 1 286.400 3.175 20 30 CGEDMO C#C[C@H]([NH2+]Cc1cc(C(C)(C)C)oc1C)[C@H]1CCCO1 ZINC001461443063 928755917 /nfs/dbraw/zinc/75/59/17/928755917.db2.gz HJHWRTWYVLYJFA-LSDHHAIUSA-N 1 1 275.392 3.156 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H](CNC(=O)C[C@H]2CC=CCC2)C1 ZINC001493225219 928773677 /nfs/dbraw/zinc/77/36/77/928773677.db2.gz FVDCIYIEIQXOIS-IRXDYDNUSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCCCN(CC)C(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001456849889 937435900 /nfs/dbraw/zinc/43/59/00/937435900.db2.gz XRJCVDUQQQZCOO-QLFBSQMISA-N 1 1 266.429 3.062 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001459401777 937487366 /nfs/dbraw/zinc/48/73/66/937487366.db2.gz AZOHVOAYLDYILX-HUUCEWRRSA-N 1 1 294.439 3.120 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)C[C@@H]1CC2(CCC2)CO1 ZINC001459829978 937502396 /nfs/dbraw/zinc/50/23/96/937502396.db2.gz HNPYLJOMRMTNKV-INIZCTEOSA-N 1 1 275.392 3.269 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001459941675 937507084 /nfs/dbraw/zinc/50/70/84/937507084.db2.gz TYBYKCYKYWOFKP-UHFFFAOYSA-N 1 1 266.728 3.092 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001459941675 937507085 /nfs/dbraw/zinc/50/70/85/937507085.db2.gz TYBYKCYKYWOFKP-UHFFFAOYSA-N 1 1 266.728 3.092 20 30 CGEDMO C#C[C@H]1CCC[N@H+](C[C@H](C)COCc2ccccc2)C1 ZINC001460306972 937525900 /nfs/dbraw/zinc/52/59/00/937525900.db2.gz COZJTAVXQRJJBE-IRXDYDNUSA-N 1 1 271.404 3.185 20 30 CGEDMO C=CCCCCC[NH2+][C@H](C(=O)OC)[C@@H]1CCC[C@@H](OC)C1 ZINC001460328598 937527160 /nfs/dbraw/zinc/52/71/60/937527160.db2.gz KTHNRQDMSDRCQL-OAGGEKHMSA-N 1 1 297.439 3.069 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](C[C@@H]2CCC[C@]3(CCOC3)O2)C1 ZINC001460361131 937528713 /nfs/dbraw/zinc/52/87/13/937528713.db2.gz LJNNRTJVAFPUBQ-IXDOHACOSA-N 1 1 279.424 3.003 20 30 CGEDMO C/C=C\C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC001460560016 937535354 /nfs/dbraw/zinc/53/53/54/937535354.db2.gz YMKZOPHPWWYTPP-RXYHWBRQSA-N 1 1 297.402 3.175 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC001460693962 937540345 /nfs/dbraw/zinc/54/03/45/937540345.db2.gz SVAOPYWRLYSJKT-NVXWUHKLSA-N 1 1 263.425 3.317 20 30 CGEDMO C[C@H]1Cc2n[nH]cc2C[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001460782202 937544961 /nfs/dbraw/zinc/54/49/61/937544961.db2.gz UMPUXKKLPHBFHD-ZDUSSCGKSA-N 1 1 299.805 3.109 20 30 CGEDMO C[C@H]1Cc2n[nH]cc2C[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001460782202 937544963 /nfs/dbraw/zinc/54/49/63/937544963.db2.gz UMPUXKKLPHBFHD-ZDUSSCGKSA-N 1 1 299.805 3.109 20 30 CGEDMO N#CCSCCC[N@H+]1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001460862797 937549457 /nfs/dbraw/zinc/54/94/57/937549457.db2.gz WYRGVHHTRRVCJV-GJZGRUSLSA-N 1 1 264.438 3.144 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)c1cccc(C2CC2)c1 ZINC001157165599 931979395 /nfs/dbraw/zinc/97/93/95/931979395.db2.gz UFMVRYZMTOKHGC-OAHLLOKOSA-N 1 1 298.430 3.028 20 30 CGEDMO C=CC[C@@H]1CC[C@@H]([NH2+]CCCN2CCC(C)CC2)C1 ZINC001461014141 937559800 /nfs/dbraw/zinc/55/98/00/937559800.db2.gz QAQREWWIYCYFNZ-IAGOWNOFSA-N 1 1 264.457 3.443 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cc(F)cc(OCC)c2)C1 ZINC001330619350 932042393 /nfs/dbraw/zinc/04/23/93/932042393.db2.gz NEVJGRZONPRBQM-HNNXBMFYSA-N 1 1 279.355 3.001 20 30 CGEDMO C[N@H+]1CCC[C@H](Oc2ccc(C#N)cc2C(C)(C)C)C1 ZINC001228997053 932067970 /nfs/dbraw/zinc/06/79/70/932067970.db2.gz WJUMZTWUUWPSLE-AWEZNQCLSA-N 1 1 272.392 3.329 20 30 CGEDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1cccc(C#N)c1Cl ZINC001229069561 932085927 /nfs/dbraw/zinc/08/59/27/932085927.db2.gz KHMPFUSUUJVYAK-YWVIFJGQSA-N 1 1 290.794 3.321 20 30 CGEDMO C=CC[NH+]1CCC(NCc2cnc(C(C)C)s2)CC1 ZINC001461161578 937566825 /nfs/dbraw/zinc/56/68/25/937566825.db2.gz TUKRKSROMGNYJA-UHFFFAOYSA-N 1 1 279.453 3.007 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](Oc2cc(C#N)ccc2Cl)C1 ZINC001229249940 932121368 /nfs/dbraw/zinc/12/13/68/932121368.db2.gz CRNPDDVMYHIADW-LBPRGKRZSA-N 1 1 264.756 3.073 20 30 CGEDMO C=CCc1ccc(O)c(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC001229341483 932136141 /nfs/dbraw/zinc/13/61/41/932136141.db2.gz JZRXLKQYSZSCML-FICVDOATSA-N 1 1 273.376 3.125 20 30 CGEDMO C#C[C@@H](CCCCC)Oc1ccc2[nH+]c(N)[nH]c2c1 ZINC001230507528 932581283 /nfs/dbraw/zinc/58/12/83/932581283.db2.gz NPVAJUJTYWXCPE-NSHDSACASA-N 1 1 257.337 3.106 20 30 CGEDMO C=C[C@@H](C#CC(C)(C)C)Oc1ccc2[nH+]c(N)[nH]c2c1 ZINC001230517964 932582336 /nfs/dbraw/zinc/58/23/36/932582336.db2.gz JHSFMDZZPGVOLW-NSHDSACASA-N 1 1 269.348 3.128 20 30 CGEDMO C=CCCC(=O)N1CCC([C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001230537128 932585634 /nfs/dbraw/zinc/58/56/34/932585634.db2.gz BVTNDSWTNRZSQK-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CCC([C@H]2CCC[N@@H+]2CC)CC1 ZINC001230587447 932592859 /nfs/dbraw/zinc/59/28/59/932592859.db2.gz SEDHDEBAXQYYML-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(F)F ZINC001230589458 932595560 /nfs/dbraw/zinc/59/55/60/932595560.db2.gz ZGURDPKWRVGNSB-CYBMUJFWSA-N 1 1 290.398 3.145 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]1CN(C)C(=O)CCC ZINC001230633998 932601252 /nfs/dbraw/zinc/60/12/52/932601252.db2.gz OVJAEYNGGIYBBE-HNNXBMFYSA-N 1 1 268.445 3.290 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccoc1 ZINC001230757920 932619908 /nfs/dbraw/zinc/61/99/08/932619908.db2.gz CYXITQQPZCOWAI-MRXNPFEDSA-N 1 1 292.423 3.396 20 30 CGEDMO C=CCc1cccc(O[C@H]2CCc3[nH+]ccn3C2)c1 ZINC001231008845 932655990 /nfs/dbraw/zinc/65/59/90/932655990.db2.gz CDILASKTUXUJFU-HNNXBMFYSA-N 1 1 254.333 3.005 20 30 CGEDMO C[N@@H+]1CCN(Cc2ccc(C#N)s2)C[C@@H]1c1ccccc1 ZINC001232843815 932683380 /nfs/dbraw/zinc/68/33/80/932683380.db2.gz CYARXNZAUIEEJQ-QGZVFWFLSA-N 1 1 297.427 3.108 20 30 CGEDMO C[N@H+]1CCN(Cc2ccc(C#N)s2)C[C@@H]1c1ccccc1 ZINC001232843815 932683386 /nfs/dbraw/zinc/68/33/86/932683386.db2.gz CYARXNZAUIEEJQ-QGZVFWFLSA-N 1 1 297.427 3.108 20 30 CGEDMO CN1CC[N@H+](Cc2ccc(C#N)s2)C[C@@H]1c1ccccc1 ZINC001232843815 932683390 /nfs/dbraw/zinc/68/33/90/932683390.db2.gz CYARXNZAUIEEJQ-QGZVFWFLSA-N 1 1 297.427 3.108 20 30 CGEDMO CN1CC[N@@H+](Cc2ccc(C#N)s2)C[C@@H]1c1ccccc1 ZINC001232843815 932683395 /nfs/dbraw/zinc/68/33/95/932683395.db2.gz CYARXNZAUIEEJQ-QGZVFWFLSA-N 1 1 297.427 3.108 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccc(CSC)cc1 ZINC001462193329 937623984 /nfs/dbraw/zinc/62/39/84/937623984.db2.gz UYEODHFNMOYZAH-UHFFFAOYSA-N 1 1 265.422 3.184 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC001462157801 937621676 /nfs/dbraw/zinc/62/16/76/937621676.db2.gz NZMZMOGNLCYXMN-CYBMUJFWSA-N 1 1 284.334 3.467 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC001462157801 937621679 /nfs/dbraw/zinc/62/16/79/937621679.db2.gz NZMZMOGNLCYXMN-CYBMUJFWSA-N 1 1 284.334 3.467 20 30 CGEDMO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](CCC)CC(C)C ZINC001316609536 932748251 /nfs/dbraw/zinc/74/82/51/932748251.db2.gz CNHAWQGBDRUWOG-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](CCC)CC(C)C ZINC001316609536 932748255 /nfs/dbraw/zinc/74/82/55/932748255.db2.gz CNHAWQGBDRUWOG-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2nncs2)CCCC1(C)C ZINC001334207047 932765776 /nfs/dbraw/zinc/76/57/76/932765776.db2.gz NHFLQDUZWNJQHF-NSHDSACASA-N 1 1 251.399 3.105 20 30 CGEDMO C=CC[C@@H]1[N@H+](Cc2nncs2)CCCC1(C)C ZINC001334207047 932765780 /nfs/dbraw/zinc/76/57/80/932765780.db2.gz NHFLQDUZWNJQHF-NSHDSACASA-N 1 1 251.399 3.105 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(Cl)o2)C1 ZINC001491907761 932797107 /nfs/dbraw/zinc/79/71/07/932797107.db2.gz AHKBMMFEQJXJEV-LBPRGKRZSA-N 1 1 296.798 3.046 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@@H]([N@H+](C)CCCC)C1 ZINC001491952927 932799551 /nfs/dbraw/zinc/79/95/51/932799551.db2.gz UMXJUZJZDKRBEQ-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC1(C)C ZINC001492166116 932808774 /nfs/dbraw/zinc/80/87/74/932808774.db2.gz HFSACSZEAZPNDT-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC(C)(C)C(=O)NCC[N@H+](C)Cc1csc(C)c1 ZINC001492434871 932817622 /nfs/dbraw/zinc/81/76/22/932817622.db2.gz JCRBGLPAPPSNSB-UHFFFAOYSA-N 1 1 294.464 3.207 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)CC(C)C)[C@H]1CC ZINC001316739842 932877446 /nfs/dbraw/zinc/87/74/46/932877446.db2.gz VSAATAFRQKVQMP-HRCADAONSA-N 1 1 280.456 3.214 20 30 CGEDMO C#CC[N@@H+](CCOCC1CCC1)[C@@H]1CCc2ccccc21 ZINC001307430859 932951615 /nfs/dbraw/zinc/95/16/15/932951615.db2.gz NZXCSCHLRWJAGI-LJQANCHMSA-N 1 1 283.415 3.426 20 30 CGEDMO CC[N@H+](Cc1c(C)cc(C#N)cc1C)C[C@H]1CCCO1 ZINC001307449092 932954475 /nfs/dbraw/zinc/95/44/75/932954475.db2.gz GUZOLVPDQSIJGC-MRXNPFEDSA-N 1 1 272.392 3.176 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCC[C@H]1COC(=O)N(CC)CC ZINC001307744724 932995556 /nfs/dbraw/zinc/99/55/56/932995556.db2.gz AQYYQOPQKUOWIC-HNNXBMFYSA-N 1 1 282.428 3.286 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC(C)(C)[C@H]2COC[C@H]21 ZINC001307834091 933006371 /nfs/dbraw/zinc/00/63/71/933006371.db2.gz CQQSJAMWCXJQLC-DLBZAZTESA-N 1 1 298.430 3.345 20 30 CGEDMO C=CCCCC[N@H+]1CC2(CCC2)[C@@](F)(C(=O)OCC)C1 ZINC001307924723 933021595 /nfs/dbraw/zinc/02/15/95/933021595.db2.gz KOUWANKYOPKHBC-INIZCTEOSA-N 1 1 283.387 3.100 20 30 CGEDMO Cc1ccc(CN2CC[N@@H+](C3CCCC3)[C@@H](C)C2)cc1C#N ZINC001308080416 933045032 /nfs/dbraw/zinc/04/50/32/933045032.db2.gz XLYNRDXMIVCGON-INIZCTEOSA-N 1 1 297.446 3.315 20 30 CGEDMO C#CC[N@H+](CCC(=O)Nc1ccc(Cl)cc1)C(C)C ZINC001308096077 933048468 /nfs/dbraw/zinc/04/84/68/933048468.db2.gz CPSBPCWKTGOHRI-UHFFFAOYSA-N 1 1 278.783 3.012 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC(C)(C)[C@@H](c2ccccc2)C1 ZINC001308115117 933051105 /nfs/dbraw/zinc/05/11/05/933051105.db2.gz XXSRSTDXFMWDQP-NVXWUHKLSA-N 1 1 286.419 3.431 20 30 CGEDMO C#Cc1ccc(C[NH2+]Cc2nc3cc(F)ccc3o2)cc1 ZINC001308410090 933106926 /nfs/dbraw/zinc/10/69/26/933106926.db2.gz MSNQQHBSZSUJRW-UHFFFAOYSA-N 1 1 280.302 3.238 20 30 CGEDMO C=C(C)[C@H](N[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)c(F)c1 ZINC001308698204 933160400 /nfs/dbraw/zinc/16/04/00/933160400.db2.gz YTEOYXHGPLPRAD-CJNGLKHVSA-N 1 1 280.362 3.266 20 30 CGEDMO C=C(C)[C@H](N[C@@H]1CCC[N@H+](C)C1)c1ccc(F)c(F)c1 ZINC001308698204 933160401 /nfs/dbraw/zinc/16/04/01/933160401.db2.gz YTEOYXHGPLPRAD-CJNGLKHVSA-N 1 1 280.362 3.266 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1c(C)cc(C)c(COC)c1C ZINC001308741581 933168092 /nfs/dbraw/zinc/16/80/92/933168092.db2.gz JBTYJPNMVUGJAM-UHFFFAOYSA-N 1 1 291.435 3.393 20 30 CGEDMO C=CC[N@H+](CCOC)C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001308740112 933169074 /nfs/dbraw/zinc/16/90/74/933169074.db2.gz CLCKEJJOWWOWNQ-IAGOWNOFSA-N 1 1 259.393 3.315 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001308828172 933185965 /nfs/dbraw/zinc/18/59/65/933185965.db2.gz MCAZAQUHCMZBFY-QRQLOZEOSA-N 1 1 297.446 3.133 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC[C@H](C3CCOCC3)C2)cc1 ZINC001308953386 933212042 /nfs/dbraw/zinc/21/20/42/933212042.db2.gz VTCYCPPHMRASIZ-IBGZPJMESA-N 1 1 283.415 3.307 20 30 CGEDMO C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CN2CCC1CC2 ZINC001308965970 933214073 /nfs/dbraw/zinc/21/40/73/933214073.db2.gz KDUQQLPLVPWWJK-GDBMZVCRSA-N 1 1 250.430 3.053 20 30 CGEDMO C#CC[N@H+]1CCC[C@H](NC(=O)Nc2cccc(C(C)C)c2)C1 ZINC001310033215 933248521 /nfs/dbraw/zinc/24/85/21/933248521.db2.gz QRBMWJKRRGAAAD-KRWDZBQOSA-N 1 1 299.418 3.029 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2cccc(C(C)C)c2)C1 ZINC001310033215 933248529 /nfs/dbraw/zinc/24/85/29/933248529.db2.gz QRBMWJKRRGAAAD-KRWDZBQOSA-N 1 1 299.418 3.029 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)[C@H]1CCCC[C@@H]1C1CC1 ZINC001317481261 933250694 /nfs/dbraw/zinc/25/06/94/933250694.db2.gz FDXPYQOEIFLGOF-SJORKVTESA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[C@H](CC)NC(=O)NC[C@@H]1CCCC[N@@H+]1CCCC ZINC001311891357 933321744 /nfs/dbraw/zinc/32/17/44/933321744.db2.gz VYPLEULBEVFTED-HOTGVXAUSA-N 1 1 295.471 3.295 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC001317520405 933337932 /nfs/dbraw/zinc/33/79/32/933337932.db2.gz MLXDKDHFJHIBJJ-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC1(NC(=O)NC[C@@H]2CCC[N@@H+]2CCC)CCCC1 ZINC001312657483 933379915 /nfs/dbraw/zinc/37/99/15/933379915.db2.gz XYRIMTBIAWAKPB-HNNXBMFYSA-N 1 1 293.455 3.049 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]2CN(C(=O)C(C)C)C[C@@H]2C1 ZINC001316746550 933453594 /nfs/dbraw/zinc/45/35/94/933453594.db2.gz AALRAYTZOPLMHC-SJORKVTESA-N 1 1 294.483 3.393 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)CCC)C[C@@H]2C1 ZINC001316758256 933477355 /nfs/dbraw/zinc/47/73/55/933477355.db2.gz SYBPWRDZGDFWSX-BBWFWOEESA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CCCCC ZINC001316802292 933482285 /nfs/dbraw/zinc/48/22/85/933482285.db2.gz AJDUUPFIFMCIEG-HNNXBMFYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCCC[N@@H+](C)CCCNC(=O)c1cc(C)cc(F)c1 ZINC001316850776 933486827 /nfs/dbraw/zinc/48/68/27/933486827.db2.gz NHIZETYPDRYSFO-UHFFFAOYSA-N 1 1 292.398 3.152 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCNC(=O)C1(C)CCCCC1 ZINC001316845620 933487090 /nfs/dbraw/zinc/48/70/90/933487090.db2.gz LVRFOBNFOYLXRB-UHFFFAOYSA-N 1 1 286.847 3.147 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCNC(=O)C1(C)CCCCC1 ZINC001316845620 933487094 /nfs/dbraw/zinc/48/70/94/933487094.db2.gz LVRFOBNFOYLXRB-UHFFFAOYSA-N 1 1 286.847 3.147 20 30 CGEDMO C=C(C)CC[N@H+](CCCNC(=O)[C@@H]1CC[C@@H](C)C1)C1CC1 ZINC001316925103 933494570 /nfs/dbraw/zinc/49/45/70/933494570.db2.gz KGZFPSUVDCWXTR-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)[C@H]1CCCC[C@H]1C)C1CC1 ZINC001316921648 933495974 /nfs/dbraw/zinc/49/59/74/933495974.db2.gz URLVTBTVPVGZBR-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC23CCC3)C1 ZINC001316986743 933505619 /nfs/dbraw/zinc/50/56/19/933505619.db2.gz GINDDJFPFWWBMU-HZPDHXFCSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)c2ccsc2)C1 ZINC001316985044 933505840 /nfs/dbraw/zinc/50/58/40/933505840.db2.gz CKEVXWOSIMDNHJ-UKRRQHHQSA-N 1 1 292.448 3.008 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N(CCC)C(=O)C(C)C)CC1 ZINC001317005966 933512581 /nfs/dbraw/zinc/51/25/81/933512581.db2.gz ANYNVRVELQDJOD-UHFFFAOYSA-N 1 1 286.847 3.098 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)CC2(C)CCCC2)C1 ZINC001317033810 933516624 /nfs/dbraw/zinc/51/66/24/933516624.db2.gz PGWBZSPWBATUDZ-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@H](C[N@@H+](C)C/C=C\Cl)C1 ZINC001317038232 933518858 /nfs/dbraw/zinc/51/88/58/933518858.db2.gz HAENBLQYQYISCZ-IUCKJTJTSA-N 1 1 298.858 3.122 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](C[N@H+](C)CCC)C1 ZINC001317044889 933520512 /nfs/dbraw/zinc/52/05/12/933520512.db2.gz SNTKDVWGDQEGSO-RDJZCZTQSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H]1CCC[N@@H+](CC=C(C)C)C1 ZINC001317133111 933537191 /nfs/dbraw/zinc/53/71/91/933537191.db2.gz WFEMLHFGFYRTMB-MRXNPFEDSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCCCC(=O)NC[C@@H]1CCCC[N@@H+]1CC1CC(C)C1 ZINC001317173734 933547149 /nfs/dbraw/zinc/54/71/49/933547149.db2.gz MXRXRZUMLVJXGF-JCYILVPMSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@]2(C)C=CCC2)C1 ZINC001317377746 933582778 /nfs/dbraw/zinc/58/27/78/933582778.db2.gz DXVGCNWSKOIQEI-WMZOPIPTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H](CCC)C(C)C)C1 ZINC001317529622 933613025 /nfs/dbraw/zinc/61/30/25/933613025.db2.gz PPFZXNOULFUQCO-CVEARBPZSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[N@@H+](CCC)CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001317542567 933615509 /nfs/dbraw/zinc/61/55/09/933615509.db2.gz CQPUYXNYENJLFI-YESZJQIVSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[N@@H+](CCNC(=O)C1(C)CCCCC1)C1CC1 ZINC001317557155 933619994 /nfs/dbraw/zinc/61/99/94/933619994.db2.gz WVMBBHVEEXTHPC-UHFFFAOYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)[C@@H]1CCCC[C@H]1CC)C1CC1 ZINC001317559373 933620109 /nfs/dbraw/zinc/62/01/09/933620109.db2.gz WGKXZFLMLUILHP-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CCC)C(=O)C=C(C)C)C1 ZINC001317749331 933641971 /nfs/dbraw/zinc/64/19/71/933641971.db2.gz FQXDXITWOJOWRR-MRXNPFEDSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)/C=C/C(C)(C)C)C1 ZINC001317778099 933650378 /nfs/dbraw/zinc/65/03/78/933650378.db2.gz FXXSEPNGLDYJMY-YCABEKBOSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001317796403 933651522 /nfs/dbraw/zinc/65/15/22/933651522.db2.gz XQZIEYRABOOFOW-MRXNPFEDSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001317796402 933652041 /nfs/dbraw/zinc/65/20/41/933652041.db2.gz XQZIEYRABOOFOW-INIZCTEOSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CC=CCC2)CC1 ZINC001317865328 933662202 /nfs/dbraw/zinc/66/22/02/933662202.db2.gz HEDCPWCZNWTAKY-QGZVFWFLSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CCC[N@H+](CC=C(C)C)C1 ZINC001317984950 933671895 /nfs/dbraw/zinc/67/18/95/933671895.db2.gz JBOJHHJSYADXHT-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC001318038174 933677978 /nfs/dbraw/zinc/67/79/78/933677978.db2.gz NTPIJRKZPXIVJX-BZUAXINKSA-N 1 1 292.467 3.193 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)[C@H](CCCC)C(C)C)C1 ZINC001318093010 933685605 /nfs/dbraw/zinc/68/56/05/933685605.db2.gz HHAVEUXZHQVWSF-MRXNPFEDSA-N 1 1 280.456 3.215 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1=CCCC1 ZINC001318193146 933693522 /nfs/dbraw/zinc/69/35/22/933693522.db2.gz OEAURIJMIAJMBS-IRXDYDNUSA-N 1 1 290.451 3.352 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)c2cocc2C)C1 ZINC001318269786 933703372 /nfs/dbraw/zinc/70/33/72/933703372.db2.gz ZKVLGCFNKBLRDF-HNNXBMFYSA-N 1 1 292.423 3.363 20 30 CGEDMO C#CCCCCCC(=O)N(CC)[C@@H]1CC[N@@H+](CC(=C)C)C1 ZINC001318480276 933732890 /nfs/dbraw/zinc/73/28/90/933732890.db2.gz VGKOBONFCGKBND-QGZVFWFLSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)CCC2(C)CC2)C1 ZINC001318485273 933734262 /nfs/dbraw/zinc/73/42/62/933734262.db2.gz PWVHKCMLOZZUEX-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)C[C@H]1CCCC[C@H]1C ZINC001467727614 937721443 /nfs/dbraw/zinc/72/14/43/937721443.db2.gz MYEGIAVLUSQUIL-HZPDHXFCSA-N 1 1 280.456 3.169 20 30 CGEDMO CS[C@@H]1CC[C@@H]([N@@H+](C)CC#Cc2ccc(F)cc2)C1 ZINC001319462779 933881359 /nfs/dbraw/zinc/88/13/59/933881359.db2.gz LZFJEAKTEFXLQR-HZPDHXFCSA-N 1 1 277.408 3.393 20 30 CGEDMO CS[C@H]1CC[C@H]([N@@H+](C)CC#Cc2ccc(F)cc2)C1 ZINC001319462776 933881827 /nfs/dbraw/zinc/88/18/27/933881827.db2.gz LZFJEAKTEFXLQR-HOTGVXAUSA-N 1 1 277.408 3.393 20 30 CGEDMO COCC#CC[N@H+]1C[C@H]2CCCC[C@@]21c1ccccc1 ZINC001319582457 933895490 /nfs/dbraw/zinc/89/54/90/933895490.db2.gz GTLLSARCFQEAOE-QZTJIDSGSA-N 1 1 269.388 3.038 20 30 CGEDMO C#CC[N@H+](Cc1cccc(OC)c1OC(C)C)CC1CC1 ZINC001319726052 933920960 /nfs/dbraw/zinc/92/09/60/933920960.db2.gz BTVFWGQAPOSNOJ-UHFFFAOYSA-N 1 1 287.403 3.328 20 30 CGEDMO C#CC[N@H+](Cc1c(C)nn(C(C)(C)C)c1C)CC1CC1 ZINC001319729468 933923220 /nfs/dbraw/zinc/92/32/20/933923220.db2.gz QVAYPFBXNRPYHL-UHFFFAOYSA-N 1 1 273.424 3.100 20 30 CGEDMO C=CCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)c1ccccc1 ZINC001468644281 937730325 /nfs/dbraw/zinc/73/03/25/937730325.db2.gz OJALUOPAFZDEDV-INIZCTEOSA-N 1 1 286.419 3.328 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+]([C@H](C)c2c(F)cccc2F)C1 ZINC001320038369 933986227 /nfs/dbraw/zinc/98/62/27/933986227.db2.gz RAZOLGZGILOAPM-NEPJUHHUSA-N 1 1 267.319 3.303 20 30 CGEDMO C=CCO[C@H]1CC[N@H+]([C@H](C)c2c(F)cccc2F)C1 ZINC001320038369 933986233 /nfs/dbraw/zinc/98/62/33/933986233.db2.gz RAZOLGZGILOAPM-NEPJUHHUSA-N 1 1 267.319 3.303 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC001320066251 933990698 /nfs/dbraw/zinc/99/06/98/933990698.db2.gz DCPLLAHKLYHGQW-SJORKVTESA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)[C@@](C)(CC)CCC ZINC001320068281 933992774 /nfs/dbraw/zinc/99/27/74/933992774.db2.gz YHEKONSFHNEMPK-INIZCTEOSA-N 1 1 268.445 3.169 20 30 CGEDMO CCCC[N@H+]1CCCC[C@H]1CNc1cccc(CC#N)n1 ZINC001321328428 934175333 /nfs/dbraw/zinc/17/53/33/934175333.db2.gz DHUXLZLSENBNAE-INIZCTEOSA-N 1 1 286.423 3.214 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC001321445727 934184420 /nfs/dbraw/zinc/18/44/20/934184420.db2.gz HTOBXWSUQRZVQC-DOMZBBRYSA-N 1 1 278.783 3.406 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)/C=C\c1ccco1 ZINC001322103593 934242939 /nfs/dbraw/zinc/24/29/39/934242939.db2.gz JWOQVAGXLURRJP-HIZYVFIXSA-N 1 1 290.407 3.084 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@H](C)NC(=O)c1cc(C)oc1C ZINC001322107688 934246005 /nfs/dbraw/zinc/24/60/05/934246005.db2.gz BEUUQIKJGZHXLZ-STQMWFEESA-N 1 1 292.423 3.301 20 30 CGEDMO C=CC[N@H+](C)C[C@H](C)NC(=O)C[C@H](C)CC(C)(C)C ZINC001322248131 934262638 /nfs/dbraw/zinc/26/26/38/934262638.db2.gz IYZXTXDJTXWVLF-KBPBESRZSA-N 1 1 268.445 3.071 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)c1c(C)cc(C)cc1C ZINC001322292708 934273063 /nfs/dbraw/zinc/27/30/63/934273063.db2.gz ITNUSXYASOIJMQ-INIZCTEOSA-N 1 1 288.435 3.238 20 30 CGEDMO C=C(C)C[N@H+](CC1CC1)C1CCN(C(=O)[C@@H](F)CC)CC1 ZINC001323734086 934421840 /nfs/dbraw/zinc/42/18/40/934421840.db2.gz VGEVREZSZUPPBE-INIZCTEOSA-N 1 1 296.430 3.014 20 30 CGEDMO CCCCCCCCC[N@@H+](C)C[C@H]1CN(C)C(=O)O1 ZINC001324257688 934475160 /nfs/dbraw/zinc/47/51/60/934475160.db2.gz ALVFYGAKLMYQMX-AWEZNQCLSA-N 1 1 270.417 3.119 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](C[C@@H](OC(C)C)c2ccccc2)C1 ZINC001324368598 934492212 /nfs/dbraw/zinc/49/22/12/934492212.db2.gz BJXGWEGBRCDXIL-QZTJIDSGSA-N 1 1 289.419 3.430 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)C=C2CCCCC2)C1 ZINC001324587479 934528243 /nfs/dbraw/zinc/52/82/43/934528243.db2.gz HUGAEIHUUZDTHT-GOSISDBHSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@](C)(NC(=O)C(C)=C2CCCC2)C1 ZINC001324602304 934532484 /nfs/dbraw/zinc/53/24/84/934532484.db2.gz QVIZSVKHHSHNKH-SFHVURJKSA-N 1 1 290.451 3.424 20 30 CGEDMO CC1(C)C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)[C@@H]1C1CC1 ZINC001324648744 934539116 /nfs/dbraw/zinc/53/91/16/934539116.db2.gz HFXZCYVXYJMGDA-QGZVFWFLSA-N 1 1 297.402 3.007 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@](C)(NC(=O)C[C@@H](C)CCCCC)C1 ZINC001324655371 934541064 /nfs/dbraw/zinc/54/10/64/934541064.db2.gz BWLKIEPDEXNEQO-FUHWJXTLSA-N 1 1 292.467 3.197 20 30 CGEDMO CCC#C[C@H](C)[N@@H+](C)CCCOc1ccccc1C ZINC001473112829 937793052 /nfs/dbraw/zinc/79/30/52/937793052.db2.gz OWOHLWRCAUKRSH-INIZCTEOSA-N 1 1 259.393 3.498 20 30 CGEDMO CCC#C[C@@H](C)[N@@H+](C)CCCOc1ccccc1C ZINC001473112848 937793083 /nfs/dbraw/zinc/79/30/83/937793083.db2.gz OWOHLWRCAUKRSH-MRXNPFEDSA-N 1 1 259.393 3.498 20 30 CGEDMO C#CC[N@@H+](CC)CCc1cccc(Cl)c1Cl ZINC001473207566 937797291 /nfs/dbraw/zinc/79/72/91/937797291.db2.gz VMHUCRLXWFSBQX-UHFFFAOYSA-N 1 1 256.176 3.491 20 30 CGEDMO CC[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H]1C ZINC001473402819 937804971 /nfs/dbraw/zinc/80/49/71/937804971.db2.gz MZUOWPXBLZCRMW-YPMHNXCESA-N 1 1 273.336 3.087 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](C)C[C@H]1C(=O)OC ZINC001473409870 937806325 /nfs/dbraw/zinc/80/63/25/937806325.db2.gz IFADQXMROXPPQZ-KBPBESRZSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CCO[C@H]1CC[N@@H+](Cc2cccc(F)c2Cl)C1 ZINC001324911982 934873179 /nfs/dbraw/zinc/87/31/79/934873179.db2.gz CUPVWIQKWMAMIW-LBPRGKRZSA-N 1 1 269.747 3.256 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cccc(F)c2Cl)C1 ZINC001324911982 934873185 /nfs/dbraw/zinc/87/31/85/934873185.db2.gz CUPVWIQKWMAMIW-LBPRGKRZSA-N 1 1 269.747 3.256 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2ncc(-c3ccc(C)cc3)o2)C1 ZINC001325228517 934896705 /nfs/dbraw/zinc/89/67/05/934896705.db2.gz PDMNHGUVDCSTDA-MRXNPFEDSA-N 1 1 298.386 3.427 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ncc(-c3ccc(C)cc3)o2)C1 ZINC001325228517 934896711 /nfs/dbraw/zinc/89/67/11/934896711.db2.gz PDMNHGUVDCSTDA-MRXNPFEDSA-N 1 1 298.386 3.427 20 30 CGEDMO C=CCO[C@H]1CC[N@H+]([C@H](C)CCc2ccccc2)C1 ZINC001325228723 934897245 /nfs/dbraw/zinc/89/72/45/934897245.db2.gz QRAVCDIEIJVORD-WBVHZDCISA-N 1 1 259.393 3.285 20 30 CGEDMO C[C@@H]1CC(C)(C)C[N@H+]1CCOc1ccccc1C#N ZINC001473555217 937810672 /nfs/dbraw/zinc/81/06/72/937810672.db2.gz VVCXMXQJSJPUAD-CYBMUJFWSA-N 1 1 258.365 3.057 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C/C=C(\C)C=C ZINC001325899074 934938476 /nfs/dbraw/zinc/93/84/76/934938476.db2.gz NXSGAFIPCWJIMY-DKXBRRKKSA-N 1 1 288.435 3.150 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2csc(NCC)n2)C1 ZINC001473627547 937814936 /nfs/dbraw/zinc/81/49/36/937814936.db2.gz MDOBIBSQABCWRN-GFCCVEGCSA-N 1 1 265.426 3.363 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC001326327492 934970722 /nfs/dbraw/zinc/97/07/22/934970722.db2.gz SEKRDZBIKLSWSF-MRXNPFEDSA-N 1 1 283.371 3.322 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)C=C1CCC1 ZINC001326449154 934980677 /nfs/dbraw/zinc/98/06/77/934980677.db2.gz HJWJNXLSLUHHSS-UHFFFAOYSA-N 1 1 298.430 3.421 20 30 CGEDMO C#CCC[N@H+]1Cc2cnn(-c3ccccc3)c2CC(C)(C)C1 ZINC001473681823 937816914 /nfs/dbraw/zinc/81/69/14/937816914.db2.gz RGNAJPNPJRCRNH-UHFFFAOYSA-N 1 1 293.414 3.280 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@](C)(CO)C2)cc1 ZINC001326829770 935011377 /nfs/dbraw/zinc/01/13/77/935011377.db2.gz VGOROJBTBKIPIF-SFHVURJKSA-N 1 1 286.419 3.082 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)C(C)(C)C)CC1 ZINC001327131958 935034203 /nfs/dbraw/zinc/03/42/03/935034203.db2.gz WDOWPMSMAVYWJQ-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](CCCC)C(C)C)CC1 ZINC001327172569 935039769 /nfs/dbraw/zinc/03/97/69/935039769.db2.gz LAPZAFDVBPHRNY-DLBZAZTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)[C@H]1C[C@@]1(C)C(C)C ZINC001327276687 935049290 /nfs/dbraw/zinc/04/92/90/935049290.db2.gz DYPSWKJYWRVGJR-WBVHZDCISA-N 1 1 280.456 3.025 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)[C@@H]1C[C@@]1(C)C(C)C ZINC001327276686 935050938 /nfs/dbraw/zinc/05/09/38/935050938.db2.gz DYPSWKJYWRVGJR-RDJZCZTQSA-N 1 1 280.456 3.025 20 30 CGEDMO C#CC[N@H+](CC1CCC(O)CC1)[C@H]1CCc2ccccc21 ZINC001327511596 935064653 /nfs/dbraw/zinc/06/46/53/935064653.db2.gz HUWYGEZERNWSHM-KVWWFHCMSA-N 1 1 283.415 3.160 20 30 CGEDMO Cc1[nH+]ccn1CCCSCc1ccc(C#N)cc1 ZINC001327500534 935064707 /nfs/dbraw/zinc/06/47/07/935064707.db2.gz ZFWNLPOQCGXDPN-UHFFFAOYSA-N 1 1 271.389 3.387 20 30 CGEDMO CCC[N@H+]1Cc2ccc(CNC(=O)C#CC(C)(C)C)cc2C1 ZINC001327685568 935077194 /nfs/dbraw/zinc/07/71/94/935077194.db2.gz QFSVCHZYLKBEOI-UHFFFAOYSA-N 1 1 298.430 3.078 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)C=C(C)C)C(C)(C)C1 ZINC001328062753 935113617 /nfs/dbraw/zinc/11/36/17/935113617.db2.gz VSIYWFAWKXFPEN-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC001328200770 935123767 /nfs/dbraw/zinc/12/37/67/935123767.db2.gz NLJRYXBMIWKMMI-QGZVFWFLSA-N 1 1 282.387 3.019 20 30 CGEDMO C=C(C)CO[NH+]=Cc1sc(N2CCCCC2)nc1C ZINC001328629809 935153642 /nfs/dbraw/zinc/15/36/42/935153642.db2.gz WNBOTDJUSGCQEI-UHFFFAOYSA-N 1 1 279.409 3.368 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CC1=CCCCC1 ZINC001328706875 935161740 /nfs/dbraw/zinc/16/17/40/935161740.db2.gz HGIORDYUIQNLJF-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC[C@H]1C[N@@H+](C)CC(C)C ZINC001328752319 935166676 /nfs/dbraw/zinc/16/66/76/935166676.db2.gz HORRQTLZBKFTBD-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1cccc(Cl)c1 ZINC001328786093 935168848 /nfs/dbraw/zinc/16/88/48/935168848.db2.gz MEHOHPSLRLDEQH-HNNXBMFYSA-N 1 1 292.810 3.062 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1ccccc1F ZINC001329376439 935210951 /nfs/dbraw/zinc/21/09/51/935210951.db2.gz QTGTZCUYPSEXLD-ZIAGYGMSSA-N 1 1 292.398 3.231 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)c1sccc1Cl ZINC001329452168 935216787 /nfs/dbraw/zinc/21/67/87/935216787.db2.gz YNOPCLXDXNFYAF-JTQLQIEISA-N 1 1 286.828 3.028 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)CNC(=O)C[C@H](C)c1ccccc1C ZINC001329571086 935228213 /nfs/dbraw/zinc/22/82/13/935228213.db2.gz GIOFEFGCIMYXOO-JKSUJKDBSA-N 1 1 288.435 3.111 20 30 CGEDMO C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)CCCC ZINC001329909821 935253922 /nfs/dbraw/zinc/25/39/22/935253922.db2.gz VZASMVCQUHMNRZ-OAHLLOKOSA-N 1 1 266.429 3.114 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CCCC)C(C)C)C(C)(C)C1 ZINC001330260680 935281591 /nfs/dbraw/zinc/28/15/91/935281591.db2.gz CXHFQHMCNXMOEU-JKSUJKDBSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC(C)C)C[C@H]2C1 ZINC001330468011 935289861 /nfs/dbraw/zinc/28/98/61/935289861.db2.gz OINQLXDXXHTFCX-GVDBMIGSSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)/C(C)=C/C)C[C@H]2C1 ZINC001330459155 935290242 /nfs/dbraw/zinc/29/02/42/935290242.db2.gz ZZACDBXASVIFJY-RHJUHISZSA-N 1 1 290.451 3.136 20 30 CGEDMO CC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C(C)(C)C ZINC001330600672 935301999 /nfs/dbraw/zinc/30/19/99/935301999.db2.gz FLTFPPRQVHEVLU-UHFFFAOYSA-N 1 1 287.407 3.054 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC([N@H+](C)CCCC)CC1 ZINC001331028657 935343412 /nfs/dbraw/zinc/34/34/12/935343412.db2.gz IRKKRTDPKPYXRW-UHFFFAOYSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCc1cc(C[N@H+]2CCC[C@@H](CF)C2)c(O)c(OC)c1 ZINC001331048652 935344717 /nfs/dbraw/zinc/34/47/17/935344717.db2.gz ARYBOHJVFIZPOF-AWEZNQCLSA-N 1 1 293.382 3.311 20 30 CGEDMO C=Cc1ccc(C(=O)N(CC[N@H+](C)CC#CC)C(C)C)cc1 ZINC001332732467 935485626 /nfs/dbraw/zinc/48/56/26/935485626.db2.gz OTVFTUFAPFGJJE-UHFFFAOYSA-N 1 1 298.430 3.135 20 30 CGEDMO Cc1ccc(CN2CCC[N@H+](C[C@H](C)CCC#N)CC2)cc1 ZINC001332960102 935499744 /nfs/dbraw/zinc/49/97/44/935499744.db2.gz FBRWWTLWERHTFV-GOSISDBHSA-N 1 1 299.462 3.443 20 30 CGEDMO COc1ccc(C[C@@H](C)[N@@H+](C)Cc2cncc(C#N)c2)cc1 ZINC001333075023 935509012 /nfs/dbraw/zinc/50/90/12/935509012.db2.gz SKXQNYOQDJGVLO-CQSZACIVSA-N 1 1 295.386 3.025 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)[C@H](C)c1snnc1C ZINC001333195916 935517269 /nfs/dbraw/zinc/51/72/69/935517269.db2.gz PBIUDMKEVGPIHM-GFCCVEGCSA-N 1 1 277.393 3.231 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)[C@H](C)c1snnc1C ZINC001333195916 935517270 /nfs/dbraw/zinc/51/72/70/935517270.db2.gz PBIUDMKEVGPIHM-GFCCVEGCSA-N 1 1 277.393 3.231 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC=C(CNC(=O)C2(CC)CC2)CC1 ZINC001333400048 935533455 /nfs/dbraw/zinc/53/34/55/935533455.db2.gz LJBNHZXXZGWUCD-OAHLLOKOSA-N 1 1 290.451 3.280 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC001334044869 936081589 /nfs/dbraw/zinc/08/15/89/936081589.db2.gz WAUPPCQEVBTZBK-HNNXBMFYSA-N 1 1 259.397 3.476 20 30 CGEDMO CC[C@@]1(CO)CCC[N@H+]1CCCCC1(C#N)CCC1 ZINC001334159371 936087827 /nfs/dbraw/zinc/08/78/27/936087827.db2.gz ZTFYORMOTGDIGC-INIZCTEOSA-N 1 1 264.413 3.087 20 30 CGEDMO C[N@@H+](CCCCC1(C#N)CCC1)CCc1ccccn1 ZINC001334642151 936107552 /nfs/dbraw/zinc/10/75/52/936107552.db2.gz AMTQUJIPNCLQHS-UHFFFAOYSA-N 1 1 271.408 3.420 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC001335919942 936167451 /nfs/dbraw/zinc/16/74/51/936167451.db2.gz KTPGIJDZLFEBSY-DOTOQJQBSA-N 1 1 286.419 3.122 20 30 CGEDMO C=CCC[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001336217199 936180784 /nfs/dbraw/zinc/18/07/84/936180784.db2.gz LANJAECBCBJTRM-HOTGVXAUSA-N 1 1 278.440 3.066 20 30 CGEDMO N#CC1(C[NH+]2CCC(c3nc4c(s3)CCC4)CC2)CC1 ZINC001336296134 936186954 /nfs/dbraw/zinc/18/69/54/936186954.db2.gz YKAZPPSOGNZRNW-UHFFFAOYSA-N 1 1 287.432 3.115 20 30 CGEDMO Cc1cc(F)c(C#N)c(N2CCC(c3c[nH+]cn3C)CC2)c1 ZINC001336891396 936225420 /nfs/dbraw/zinc/22/54/20/936225420.db2.gz HWUKLKASEHHHJA-UHFFFAOYSA-N 1 1 298.365 3.123 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccccc2SC)C1 ZINC001337651077 936277204 /nfs/dbraw/zinc/27/72/04/936277204.db2.gz UQENBJAXTBHJTE-AWEZNQCLSA-N 1 1 263.406 3.185 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc(OCCC)cc2)C1 ZINC001337720410 936283572 /nfs/dbraw/zinc/28/35/72/936283572.db2.gz ARTKSVRQKWVLJT-QGZVFWFLSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CCO[C@H]1CC[N@H+]([C@H](C)CCc2cccc(F)c2)C1 ZINC001337728936 936284047 /nfs/dbraw/zinc/28/40/47/936284047.db2.gz ZYZFMGUXNHVYPB-PBHICJAKSA-N 1 1 277.383 3.424 20 30 CGEDMO C#Cc1ccc(NCc2cccc(C[N@H+](C)CC)c2)nc1 ZINC001337804121 936290090 /nfs/dbraw/zinc/29/00/90/936290090.db2.gz XVMJGRVHPJPPBU-UHFFFAOYSA-N 1 1 279.387 3.127 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@@H](C3CCC3)CC2)CCC1 ZINC001473742024 937819981 /nfs/dbraw/zinc/81/99/81/937819981.db2.gz NOINVIHPKSPCGU-IAGOWNOFSA-N 1 1 290.451 3.333 20 30 CGEDMO C=C(C)C[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1C ZINC001473768718 937820819 /nfs/dbraw/zinc/82/08/19/937820819.db2.gz HDQMUQBTDVACQH-LBPRGKRZSA-N 1 1 261.365 3.199 20 30 CGEDMO C[C@]12C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001473843236 937824461 /nfs/dbraw/zinc/82/44/61/937824461.db2.gz ULTLDVNRTAEJHX-OGWHTMIXSA-N 1 1 296.414 3.457 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1CCCCn1ccnc1C ZINC001473857130 937825284 /nfs/dbraw/zinc/82/52/84/937825284.db2.gz FARQDGLLERCIGL-MRXNPFEDSA-N 1 1 261.413 3.402 20 30 CGEDMO C=CCC[C@H](CC)[NH2+][C@@H](CC(C)(C)C)C(=O)OC ZINC001474597182 937869256 /nfs/dbraw/zinc/86/92/56/937869256.db2.gz SFFHBGSMUUCWNB-STQMWFEESA-N 1 1 255.402 3.299 20 30 CGEDMO CCCCCCCCCNC(=O)N(CC)[C@@H]1CC[N@@H+](C)C1 ZINC001477451341 937895548 /nfs/dbraw/zinc/89/55/48/937895548.db2.gz YFBKQFHYYXZTTB-MRXNPFEDSA-N 1 1 297.487 3.473 20 30 CGEDMO C=CCC(C)(C)CNC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC001478711973 937909443 /nfs/dbraw/zinc/90/94/43/937909443.db2.gz YXMUPGWBVYTICI-OAHLLOKOSA-N 1 1 295.471 3.152 20 30 CGEDMO C=C[C@H](CC)CC(=O)N(C)C[C@@H]1CC[N@H+]1CCC(=C)C ZINC001479235440 937917752 /nfs/dbraw/zinc/91/77/52/937917752.db2.gz IURKZSSJTFUVOO-CVEARBPZSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)CCC(C)(C)C ZINC001479261667 937918220 /nfs/dbraw/zinc/91/82/20/937918220.db2.gz YSHVFWAFEHHHGR-HUUCEWRRSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)CCC(C)(C)C ZINC001479261667 937918221 /nfs/dbraw/zinc/91/82/21/937918221.db2.gz YSHVFWAFEHHHGR-HUUCEWRRSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@H+](CCCCC)[C@@H]1C ZINC001479718958 937924392 /nfs/dbraw/zinc/92/43/92/937924392.db2.gz KSRCFHGTZSLVHX-HLLBOEOZSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)/C=C(\C)C1CC1 ZINC001479732617 937924833 /nfs/dbraw/zinc/92/48/33/937924833.db2.gz PMULZSVNJMOYRC-JMPLCFMRSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1ccc(C)o1 ZINC001479731947 937925021 /nfs/dbraw/zinc/92/50/21/937925021.db2.gz QCQCBNKPAAIRPG-HNNXBMFYSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)C(C)C)CC(C)(C)C1 ZINC001479747201 937925210 /nfs/dbraw/zinc/92/52/10/937925210.db2.gz YHPLJMBAXPRZIL-JKSUJKDBSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CC[N@@H+](CC)CCCNC(=O)c1ccc(C)c(Cl)c1 ZINC001479853320 937927209 /nfs/dbraw/zinc/92/72/09/937927209.db2.gz JNVFCYFBLVQROS-UHFFFAOYSA-N 1 1 294.826 3.276 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CCC[N@H+](CCCC(C)C)C1 ZINC001479904878 937928724 /nfs/dbraw/zinc/92/87/24/937928724.db2.gz ZFNSRJZPLGUSQL-INIZCTEOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@](C)(CC)CCC)C1 ZINC001479912737 937928728 /nfs/dbraw/zinc/92/87/28/937928728.db2.gz YVEPKIPHLIGTQS-WBVHZDCISA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H](C[N@H+](C)C[C@H](F)CC)C1 ZINC001480085416 937932046 /nfs/dbraw/zinc/93/20/46/937932046.db2.gz RBJCDYRULUHGKU-HZPDHXFCSA-N 1 1 298.446 3.261 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H]2CCC[N@H+](CCC(C)C)C2)C1 ZINC001480261501 937935253 /nfs/dbraw/zinc/93/52/53/937935253.db2.gz FTVUAZNJAIVVNY-INIZCTEOSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@H](C)CCC ZINC001480311046 937936533 /nfs/dbraw/zinc/93/65/33/937936533.db2.gz CMROHKVKBHOMRW-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CCCCCC(=O)N1CCC[C@H]([N@H+](C)CCCCC)C1 ZINC001480725098 937942881 /nfs/dbraw/zinc/94/28/81/937942881.db2.gz NQLRIQRABAMWDB-KRWDZBQOSA-N 1 1 292.467 3.293 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@]12C[C@H]1CCC2 ZINC001480828007 937945442 /nfs/dbraw/zinc/94/54/42/937945442.db2.gz ZLWJSJBDCMFXHJ-SOLBZPMBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)C[C@H]1CCCC[C@H]1C ZINC001493063229 937946676 /nfs/dbraw/zinc/94/66/76/937946676.db2.gz KDVGJRDMPMNKLE-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)C(F)=C2CCCC2)C1 ZINC001493193822 937948543 /nfs/dbraw/zinc/94/85/43/937948543.db2.gz SSWFITIUVBRVMR-AWEZNQCLSA-N 1 1 294.414 3.188 20 30 CGEDMO C=C(C)C[N@@H+](CCNC(=O)[C@@H]1CCCCC1(C)C)C1CC1 ZINC001493452860 937950515 /nfs/dbraw/zinc/95/05/15/937950515.db2.gz ZIIAFNIBDUEXHZ-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+](CCNC(=O)c1cc2cccc(C)c2o1)C1CC1 ZINC001493451342 937950705 /nfs/dbraw/zinc/95/07/05/937950705.db2.gz ZASOYIUEAVFQQW-UHFFFAOYSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)C(CC)CC)C1 ZINC001493937940 937952122 /nfs/dbraw/zinc/95/21/22/937952122.db2.gz BZFPTMCCQZWICJ-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)C[C@@H](C)CCC)C1 ZINC001493942789 937952287 /nfs/dbraw/zinc/95/22/87/937952287.db2.gz RJSIAYFZQLVLQQ-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)/C=C(\C)C2CC2)C1 ZINC001493996575 937952743 /nfs/dbraw/zinc/95/27/43/937952743.db2.gz XKGOQXSFSJKBME-QJPKHSJYSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CCNC(=O)C=C2CCCCC2)C1 ZINC001493995137 937952924 /nfs/dbraw/zinc/95/29/24/937952924.db2.gz MYZWYCLMFJEAKC-KRWDZBQOSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H](C)C(CC)CC)C1 ZINC001494029500 937952957 /nfs/dbraw/zinc/95/29/57/937952957.db2.gz IKWUZXWTPGSIAS-GJZGRUSLSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H](CC)CCC)C1 ZINC001494066183 937953410 /nfs/dbraw/zinc/95/34/10/937953410.db2.gz JARWXRJCXMCZJH-HOTGVXAUSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@]2(C)C(C)C)CC1 ZINC001494208786 937953877 /nfs/dbraw/zinc/95/38/77/937953877.db2.gz DSJQMUHNUUYVCV-FUHWJXTLSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C2(CCC)CCC2)C1 ZINC001494324230 937954165 /nfs/dbraw/zinc/95/41/65/937954165.db2.gz CJNMEDWCDGKOPK-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)CCC2CCCCC2)C1 ZINC001494294120 937954334 /nfs/dbraw/zinc/95/43/34/937954334.db2.gz UHKSJLZEUGEHHT-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)CCCCC ZINC001494674331 937955510 /nfs/dbraw/zinc/95/55/10/937955510.db2.gz GEFPCDRJCGTTIC-PMPSAXMXSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)CCCCC ZINC001494674331 937955511 /nfs/dbraw/zinc/95/55/11/937955511.db2.gz GEFPCDRJCGTTIC-PMPSAXMXSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCC(C)C)C1 ZINC001494666866 937955555 /nfs/dbraw/zinc/95/55/55/937955555.db2.gz CRRUHDBOXAGZML-HOTGVXAUSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC1(C(=O)N(C)[C@@H]2CC[N@H+](C[C@@H](F)CC)C2)CCC1 ZINC001494849433 937956673 /nfs/dbraw/zinc/95/66/73/937956673.db2.gz YWEAYYKYHUKGPR-LSDHHAIUSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C(C)CCC(=O)N(CC)[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001494899447 937957278 /nfs/dbraw/zinc/95/72/78/937957278.db2.gz FPJRPZJUMAGMAM-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)CC1CC(C)(C)C1 ZINC001496766645 937963829 /nfs/dbraw/zinc/96/38/29/937963829.db2.gz FCUZHEAKIUTBLY-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CCCC3CC3)CC[C@@H]21 ZINC001496863572 937964655 /nfs/dbraw/zinc/96/46/55/937964655.db2.gz OWSOUFDYEGOJBX-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)C1(C)CCCCC1 ZINC001498376731 937969209 /nfs/dbraw/zinc/96/92/09/937969209.db2.gz RRDMFZDHQQGRDP-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)c1sccc1C(C)C ZINC001498454690 937969881 /nfs/dbraw/zinc/96/98/81/937969881.db2.gz DGERUZQDABCIKC-ZDUSSCGKSA-N 1 1 294.464 3.498 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1CC[N@H+]1CC1=CCCCC1 ZINC001499032708 937972079 /nfs/dbraw/zinc/97/20/79/937972079.db2.gz LIVDXPZREIGNKR-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C)cc1C ZINC001499111809 937972423 /nfs/dbraw/zinc/97/24/23/937972423.db2.gz ISAKVLCCUJCMLZ-INIZCTEOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H](C)CC ZINC001499550696 937973730 /nfs/dbraw/zinc/97/37/30/937973730.db2.gz CMSITAXQRXKFSL-YESZJQIVSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@](C)(NC(=O)C2CC=CC2)C1 ZINC001500200016 937976240 /nfs/dbraw/zinc/97/62/40/937976240.db2.gz KTSBBGNVKGZSIR-SFHVURJKSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@](C)(CNC(=O)C2(CC)CC2)C1 ZINC001500523288 937977909 /nfs/dbraw/zinc/97/79/09/937977909.db2.gz UPSASEDGFMVFLI-QGZVFWFLSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC(CC)CC ZINC001501403061 937979572 /nfs/dbraw/zinc/97/95/72/937979572.db2.gz CONSYQXJUIQYQP-IAGOWNOFSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H](C)CC ZINC001501386142 937979621 /nfs/dbraw/zinc/97/96/21/937979621.db2.gz FRECKXBNWKHFEH-IXDOHACOSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CCC[N@H+](C[C@@H](F)CC)CC1 ZINC001502135016 937981225 /nfs/dbraw/zinc/98/12/25/937981225.db2.gz FPBXCWPXODXNFM-GJZGRUSLSA-N 1 1 284.419 3.062 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CCCC2CC2)CC1 ZINC001502132788 937981239 /nfs/dbraw/zinc/98/12/39/937981239.db2.gz YVRLRBDAUPGDBX-HNNXBMFYSA-N 1 1 298.858 3.290 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)CCC(C)C)CC1 ZINC001502107751 937981275 /nfs/dbraw/zinc/98/12/75/937981275.db2.gz QMTJLLDEBKYBBN-INIZCTEOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)c1c(C)coc1C ZINC001502180911 937981964 /nfs/dbraw/zinc/98/19/64/937981964.db2.gz DLXBQXSDVZPMRF-UHFFFAOYSA-N 1 1 298.814 3.043 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCN(C)C(=O)c1c(C)coc1C ZINC001502180911 937981965 /nfs/dbraw/zinc/98/19/65/937981965.db2.gz DLXBQXSDVZPMRF-UHFFFAOYSA-N 1 1 298.814 3.043 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCCF)C1 ZINC001502406938 937982396 /nfs/dbraw/zinc/98/23/96/937982396.db2.gz WMRSMAZRRZARBZ-HZPDHXFCSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@H+](CCC)CC1(C)C ZINC001502832711 937983641 /nfs/dbraw/zinc/98/36/41/937983641.db2.gz XUVBMXWRNFZOAU-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1CC[N@@H+](CCC(C)(C)C)[C@H](C)C1 ZINC001502923392 937984021 /nfs/dbraw/zinc/98/40/21/937984021.db2.gz QHTVVKWZZIFPRO-HZPDHXFCSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C/C=C(\C)C=C)C[C@@H]1C ZINC001502970061 937984046 /nfs/dbraw/zinc/98/40/46/937984046.db2.gz RBXRIVPJSLQLBP-XFCDKJKVSA-N 1 1 276.424 3.054 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)c1ccccc1C ZINC001505860899 937987329 /nfs/dbraw/zinc/98/73/29/937987329.db2.gz DKGYBYKNRDWNBD-CVEARBPZSA-N 1 1 288.435 3.400 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)C(C)(C)C ZINC001506563055 937990733 /nfs/dbraw/zinc/99/07/33/937990733.db2.gz WRDCUCOQEHBPFO-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)C[C@H](C)CCC ZINC001506567054 937990862 /nfs/dbraw/zinc/99/08/62/937990862.db2.gz XKIOUMLKMPTZRR-SJORKVTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC(=O)N[C@H]1C[N@H+](C[C@H](C)CC(C)C)CC1(C)C ZINC001506733489 937991673 /nfs/dbraw/zinc/99/16/73/937991673.db2.gz ZFXDKHWQWKPXPJ-CVEARBPZSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)C(C)(C)CC(C)(C)C)C(C)(C)C1 ZINC001506753100 937992007 /nfs/dbraw/zinc/99/20/07/937992007.db2.gz NHFQWJWXABPQFO-AWEZNQCLSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)C2(C)CCCC2)CC1 ZINC001506959408 937993139 /nfs/dbraw/zinc/99/31/39/937993139.db2.gz CHRJBSZIXAHYJO-UHFFFAOYSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CCC[N@H+](CCCC)[C@H]1C ZINC001507382741 937995623 /nfs/dbraw/zinc/99/56/23/937995623.db2.gz MTZCMIVFYPKDGV-LSDHHAIUSA-N 1 1 266.429 3.112 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)C(CC)(CC)CC)[C@H]1C ZINC001507383267 937995749 /nfs/dbraw/zinc/99/57/49/937995749.db2.gz TUKIANIBRSQRSD-CVEARBPZSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)CCN(C(=O)c1ccco1)C(C)C ZINC001507744593 937996552 /nfs/dbraw/zinc/99/65/52/937996552.db2.gz GPFJZZWAWDGOAD-OAHLLOKOSA-N 1 1 292.423 3.417 20 30 CGEDMO C=CC1(CC(=O)N2[C@H](C)C[N@@H+](C)[C@H](C)[C@@H]2C)CCCCC1 ZINC001530893123 938079864 /nfs/dbraw/zinc/07/98/64/938079864.db2.gz UDPCUOBRLZJCMV-OAGGEKHMSA-N 1 1 292.467 3.453 20 30 CGEDMO CCCCCCC[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001542186470 938135301 /nfs/dbraw/zinc/13/53/01/938135301.db2.gz XWMSTKAICMKBAD-ARFHVFGLSA-N 1 1 282.472 3.439 20 30 CGEDMO C=CC[N@@H+](CCC1CCCCCC1)CC(=O)OCC ZINC001559509397 938228061 /nfs/dbraw/zinc/22/80/61/938228061.db2.gz ZMPJSWIBVPGCRR-UHFFFAOYSA-N 1 1 267.413 3.398 20 30 CGEDMO C=CC[N@H+](CCC1CCCCCC1)CC(=O)OCC ZINC001559509397 938228062 /nfs/dbraw/zinc/22/80/62/938228062.db2.gz ZMPJSWIBVPGCRR-UHFFFAOYSA-N 1 1 267.413 3.398 20 30 CGEDMO C#CC[N@H+](CC(=O)N(C)[C@H](C)CC(C)C)C1CCCCC1 ZINC001559513987 938228304 /nfs/dbraw/zinc/22/83/04/938228304.db2.gz NQUZBUKXMYYRJL-MRXNPFEDSA-N 1 1 292.467 3.147 20 30 CGEDMO C=CC[N@H+](CCC(=O)Nc1cc(F)ccc1C)C1CC1 ZINC001559676535 938232616 /nfs/dbraw/zinc/23/26/16/938232616.db2.gz KQGUYFQWLHVEQX-UHFFFAOYSA-N 1 1 276.355 3.113 20 30 CGEDMO C=CC[C@H](C(=O)OC)[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001559977384 938240543 /nfs/dbraw/zinc/24/05/43/938240543.db2.gz SYLRKKOXJIZSDY-HUUCEWRRSA-N 1 1 265.397 3.006 20 30 CGEDMO C#CCCCCCC[N@H+](C)Cc1ccc(OC)nc1 ZINC001559991052 938240895 /nfs/dbraw/zinc/24/08/95/938240895.db2.gz HOWXDGPFBGZWEV-UHFFFAOYSA-N 1 1 260.381 3.106 20 30 CGEDMO C#CC[N@H+](CCCOCCc1ccccc1)C(C)(C)C ZINC001560156528 938245436 /nfs/dbraw/zinc/24/54/36/938245436.db2.gz QHNWRLPANAEVSD-UHFFFAOYSA-N 1 1 273.420 3.370 20 30 CGEDMO CCc1ccc2c(c1)CC[N@H+](CCCSCC#N)C2 ZINC001560237716 938248408 /nfs/dbraw/zinc/24/84/08/938248408.db2.gz CSYFTDWIFYVPCZ-UHFFFAOYSA-N 1 1 274.433 3.254 20 30 CGEDMO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1nc2ccccc2o1 ZINC001560459624 938259334 /nfs/dbraw/zinc/25/93/34/938259334.db2.gz FPRVDFCXNJMCAU-HNNXBMFYSA-N 1 1 289.338 3.477 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2noc3cc(F)ccc32)cc1 ZINC001560567740 938263100 /nfs/dbraw/zinc/26/31/00/938263100.db2.gz PEMRBCYQLFCKGH-UHFFFAOYSA-N 1 1 281.290 3.128 20 30 CGEDMO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](CCCCC)C(=O)OC)C1 ZINC001560764031 938274609 /nfs/dbraw/zinc/27/46/09/938274609.db2.gz RCDWTKDJAZINTQ-KFWWJZLASA-N 1 1 267.413 3.443 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(OC)c(C(C)(C)C)c1 ZINC001560793746 938276473 /nfs/dbraw/zinc/27/64/73/938276473.db2.gz YVQBRRJIGUHYEQ-CYBMUJFWSA-N 1 1 259.393 3.446 20 30 CGEDMO CNc1ccccc1C[N@@H+](C)CCc1cccc(C#N)c1 ZINC001560976081 938287412 /nfs/dbraw/zinc/28/74/12/938287412.db2.gz FDACKNCLCFDXKG-UHFFFAOYSA-N 1 1 279.387 3.274 20 30 CGEDMO C=CCCC[N@H+](CC)CCNC(=O)[C@H]1CCC(C)(C)C1 ZINC001480999320 957700438 /nfs/dbraw/zinc/70/04/38/957700438.db2.gz PRKVWSKTWMKCAS-HNNXBMFYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C=C)CC)C1 ZINC001481738773 957715953 /nfs/dbraw/zinc/71/59/53/957715953.db2.gz PLCSRFVPHKVBPY-JKSUJKDBSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)CC(C)C)CC1 ZINC001486442654 957832225 /nfs/dbraw/zinc/83/22/25/957832225.db2.gz AERHMTMGLNUYEN-ZDUSSCGKSA-N 1 1 286.847 3.002 20 30 CGEDMO C[N@@H+](CC#Cc1ccccc1)C1CC(OC(C)(C)C)C1 ZINC001308823246 958798360 /nfs/dbraw/zinc/79/83/60/958798360.db2.gz MLWBWIYLMXWTKU-UHFFFAOYSA-N 1 1 271.404 3.316 20 30 CGEDMO C[N@@H+](CCc1cccnc1)Cc1ccc(Cl)c(C#N)c1 ZINC001238191326 960411437 /nfs/dbraw/zinc/41/14/37/960411437.db2.gz LQXSDJGMJFWBDC-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)c1cocc1C ZINC001317430651 960430671 /nfs/dbraw/zinc/43/06/71/960430671.db2.gz YNPDMKUCXDWNIA-HNNXBMFYSA-N 1 1 290.407 3.139 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)C[C@H](CC)C(C)(C)C ZINC001569380994 960452474 /nfs/dbraw/zinc/45/24/74/960452474.db2.gz ZHOFIWYPWICQAS-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C)CCC)C1 ZINC001566734808 960577681 /nfs/dbraw/zinc/57/76/81/960577681.db2.gz ALTCACXZIJOIHD-HOTGVXAUSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1CC[N@@H+](CCF)CC(C)(C)C1 ZINC001566130735 960890444 /nfs/dbraw/zinc/89/04/44/960890444.db2.gz BYHXVZYVKNDFDB-YOEHRIQHSA-N 1 1 298.446 3.165 20 30 CGEDMO C=CCCC[N@H+](C)CCCNC(=O)[C@H]1CCC[C@H](C)C1 ZINC001566486546 960940104 /nfs/dbraw/zinc/94/01/04/960940104.db2.gz IGMUZLJJIMIATN-HOTGVXAUSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@@H+](CC)CCCNC(=O)c1ccc(C)c(C)c1 ZINC001566574363 960963887 /nfs/dbraw/zinc/96/38/87/960963887.db2.gz RPORFPSEQGZXHH-UHFFFAOYSA-N 1 1 288.435 3.321 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C(C)C)C1 ZINC001566622992 960976312 /nfs/dbraw/zinc/97/63/12/960976312.db2.gz DVCJKTNLFHKDCA-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)C2(CC)CC2)C1 ZINC001566628621 960978385 /nfs/dbraw/zinc/97/83/85/960978385.db2.gz AIVUZEOULBXQMA-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)C(CCC)CCC)C1 ZINC001566741416 960992702 /nfs/dbraw/zinc/99/27/02/960992702.db2.gz BRTXFSDTOVYUGL-INIZCTEOSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)/C=C(\C)CC)C1 ZINC001566740121 960996529 /nfs/dbraw/zinc/99/65/29/960996529.db2.gz QMBSKHWTDDFYMG-AAGJOFLKSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)/C=C(/C)C1CC1 ZINC001566914559 961051399 /nfs/dbraw/zinc/05/13/99/961051399.db2.gz BARAWSRONAIDOT-REZBVGGZSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](CC)SC ZINC001566920147 961057047 /nfs/dbraw/zinc/05/70/47/961057047.db2.gz NKNLZVNSWNWKFY-CABCVRRESA-N 1 1 298.496 3.065 20 30 CGEDMO C=C(C)CCC(=O)N[C@H](C)[C@H]1CCC[N@@H+](CC2CCC2)C1 ZINC001566963817 961069699 /nfs/dbraw/zinc/06/96/99/961069699.db2.gz ZSSQNJZBOLNNSH-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CCC(C)C)C1 ZINC001566958960 961070177 /nfs/dbraw/zinc/07/01/77/961070177.db2.gz WSAISNFUYKPQIF-JKSUJKDBSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCCC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CCC=C)C1 ZINC001566966220 961079807 /nfs/dbraw/zinc/07/98/07/961079807.db2.gz SEEGSAHRSVWKTM-HZPDHXFCSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)CC2CCC2)C1 ZINC001567190320 961133267 /nfs/dbraw/zinc/13/32/67/961133267.db2.gz WWDAOZPVLKCVCA-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC[C@H]([N@@H+](C)CCC(=C)C)C1 ZINC001567196409 961139309 /nfs/dbraw/zinc/13/93/09/961139309.db2.gz KJWKEFCURVLXSD-IRXDYDNUSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)CC1CCCCC1 ZINC001567271481 961259284 /nfs/dbraw/zinc/25/92/84/961259284.db2.gz AIPDJDBPAABTKS-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCNC(=O)c1ccc(F)c(Cl)c1 ZINC001567300373 961261371 /nfs/dbraw/zinc/26/13/71/961261371.db2.gz LYAGJCXLISJYSY-UHFFFAOYSA-N 1 1 298.789 3.107 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)[C@@H]1CCCC[C@H]1C ZINC001567342683 961286331 /nfs/dbraw/zinc/28/63/31/961286331.db2.gz RKWVAUSWTMKWFQ-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)c1c(C)[nH]c2ccccc21 ZINC001567338531 961292162 /nfs/dbraw/zinc/29/21/62/961292162.db2.gz YFMVZUDRHGLCSU-UHFFFAOYSA-N 1 1 299.418 3.104 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)[C@@H]1CCCC[C@@H]1C ZINC001567342684 961294955 /nfs/dbraw/zinc/29/49/55/961294955.db2.gz RKWVAUSWTMKWFQ-JKSUJKDBSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)C1(CCC)CC1 ZINC001567378508 961313435 /nfs/dbraw/zinc/31/34/35/961313435.db2.gz CWDZLEITYYENLD-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CNC(=O)CC2(C)CCCCC2)C1 ZINC001567404847 961329897 /nfs/dbraw/zinc/32/98/97/961329897.db2.gz GSGZMAVTGRKMPO-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCC[N@@H+](CCC)CCNC(=O)c1sccc1C ZINC001567421754 961332262 /nfs/dbraw/zinc/33/22/62/961332262.db2.gz CHHRUBZDWNIIPV-UHFFFAOYSA-N 1 1 280.437 3.074 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CCNC(=O)C1(C)CCC1)C1CC1 ZINC001567446963 961355193 /nfs/dbraw/zinc/35/51/93/961355193.db2.gz LSNGNYUCUUCZMK-AWEZNQCLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(CCC)C(=O)C(C)(C)F)C1 ZINC001567677320 961388482 /nfs/dbraw/zinc/38/84/82/961388482.db2.gz FGAHQVIJACSWCI-CQSZACIVSA-N 1 1 284.419 3.014 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CC=CCC2)C1 ZINC001567691072 961405618 /nfs/dbraw/zinc/40/56/18/961405618.db2.gz JHHMTJLQXRWGLZ-DLBZAZTESA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCCC(=O)N1CC[C@@H](C[N@H+](C)CC2=CCCCC2)C1 ZINC001567724208 961414501 /nfs/dbraw/zinc/41/45/01/961414501.db2.gz UUBSUWKPLHGQAQ-KRWDZBQOSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CCC[N@H+](CCC(=C)C)C1 ZINC001567775040 961424380 /nfs/dbraw/zinc/42/43/80/961424380.db2.gz PBGWDZFKQXTJOL-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@H+](C)CC1CCN(C(=O)C[C@H](CC)C(C)C)CC1 ZINC001567752547 961426524 /nfs/dbraw/zinc/42/65/24/961426524.db2.gz XMSUQDSLVNXAAX-KRWDZBQOSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C/C=C\c2ccc(C)cc2)C1 ZINC001567770490 961429899 /nfs/dbraw/zinc/42/98/99/961429899.db2.gz MUOONJVPFUXNFM-WLPBJKJWSA-N 1 1 298.430 3.165 20 30 CGEDMO C=CCCC[NH+]1CC(NC(=O)C2(CC=C)CCCCC2)C1 ZINC001567818656 961432222 /nfs/dbraw/zinc/43/22/22/961432222.db2.gz OGNMCIIKZUBBDD-UHFFFAOYSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)c2c(C)coc2C)C1 ZINC001567890081 961451831 /nfs/dbraw/zinc/45/18/31/961451831.db2.gz BHIDQSYDJXAWLW-DZGCQCFKSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)/C=C(\C)C2CC2)C1 ZINC001567887190 961454581 /nfs/dbraw/zinc/45/45/81/961454581.db2.gz GLUKKEFQXQOFDD-LCJXNMAOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CC2(C)CC2)C1 ZINC001567916866 961460529 /nfs/dbraw/zinc/46/05/29/961460529.db2.gz AMLLZHHCZCGTLA-LSDHHAIUSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC23CC3)C1 ZINC001567913414 961465260 /nfs/dbraw/zinc/46/52/60/961465260.db2.gz BBRWKIZYEZJZMH-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC2(C1)CCN(C(=O)CC)CC2 ZINC001568153728 961510342 /nfs/dbraw/zinc/51/03/42/961510342.db2.gz JOKFQWVZSIWZEK-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)/C=C\C1CCCCC1 ZINC001568551648 961614193 /nfs/dbraw/zinc/61/41/93/961614193.db2.gz NGUBVEMLQZZLAC-QXMHVHEDSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)c1ccccc1CCC ZINC001569127121 961698594 /nfs/dbraw/zinc/69/85/94/961698594.db2.gz VRKLGYOJBBNJPC-HNNXBMFYSA-N 1 1 288.435 3.265 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)C1CCC(C2CC2)CC1 ZINC001569148482 961707599 /nfs/dbraw/zinc/70/75/99/961707599.db2.gz HREPIZBGRDMIIF-ODIFPOPNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(C)c(C)c1 ZINC001569149675 961709204 /nfs/dbraw/zinc/70/92/04/961709204.db2.gz HVNBIRNYRMFDBF-MRXNPFEDSA-N 1 1 288.435 3.320 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)CCc1ccc(C)s1 ZINC001569154996 961711878 /nfs/dbraw/zinc/71/18/78/961711878.db2.gz GUERJOFTIUBTPP-ZDUSSCGKSA-N 1 1 294.464 3.002 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CNC(=O)CCCC1CCCCC1 ZINC001569384339 961756681 /nfs/dbraw/zinc/75/66/81/961756681.db2.gz ITGSOQDFJLBHSC-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]1CNC(=O)CCCC1CCCCC1 ZINC001569384339 961756697 /nfs/dbraw/zinc/75/66/97/961756697.db2.gz ITGSOQDFJLBHSC-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)/C=C(/C)CC ZINC001569446223 961767319 /nfs/dbraw/zinc/76/73/19/961767319.db2.gz HKXRAUFQOWKIJF-AMCSTGOPSA-N 1 1 290.451 3.374 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@]3(CC[N@H+](CC)C3)C2)CCCC1 ZINC001569481299 961779855 /nfs/dbraw/zinc/77/98/55/961779855.db2.gz SPEUBSSDWQAPMB-KRWDZBQOSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@@]2(CC[N@H+](C(C)C)C2)C1 ZINC001569622091 961798106 /nfs/dbraw/zinc/79/81/06/961798106.db2.gz MTIRVYKFDBWFJU-KRWDZBQOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)c2ccoc2C)C1 ZINC001569628567 961807368 /nfs/dbraw/zinc/80/73/68/961807368.db2.gz QNFMSNXAJCJBSZ-DYVFJYSZSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001569646373 961812561 /nfs/dbraw/zinc/81/25/61/961812561.db2.gz JAKNVVCTPDWQGJ-QAPCUYQASA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)/C(C)=C\CC)C1 ZINC001569709918 961830574 /nfs/dbraw/zinc/83/05/74/961830574.db2.gz KELXUDFBIAOYNO-BAPRJRNISA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCC(C)C)C2 ZINC001569794878 961837666 /nfs/dbraw/zinc/83/76/66/961837666.db2.gz PFKOSOLSMQXRNY-BBWFWOEESA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCC[N@H+]1C[C@H]2CN(C(=O)C(C)(C)C(C)C)C[C@H]2C1 ZINC001569875939 961857220 /nfs/dbraw/zinc/85/72/20/961857220.db2.gz VSTKFENWAYIGGI-IYBDPMFKSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)CC(C)=C(C)C)[C@@H]2C1 ZINC001569920528 961878135 /nfs/dbraw/zinc/87/81/35/961878135.db2.gz SFHQNWOWBFBQPQ-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H](NC(=O)CC2CCC2)CC1 ZINC001570174227 961915222 /nfs/dbraw/zinc/91/52/22/961915222.db2.gz YZRGWTJVRZEIEW-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CC=C(C)C)CC1 ZINC001570181187 961916847 /nfs/dbraw/zinc/91/68/47/961916847.db2.gz DVAZGCLBCIQOKB-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N(C)CCC[N@@H+](C)C/C=C\Cl ZINC001570204645 961921915 /nfs/dbraw/zinc/92/19/15/961921915.db2.gz YNDFYBJYAFXRFN-CLFYSBASSA-N 1 1 286.847 3.122 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[C@H](F)C1 ZINC001570196685 961925677 /nfs/dbraw/zinc/92/56/77/961925677.db2.gz OHJDQPRFJUVOAC-HOTGVXAUSA-N 1 1 298.446 3.261 20 30 CGEDMO CC#CCCCC(=O)N[C@@H]1CCC[N@H+](C[C@H](C)CC)CC1 ZINC001570181831 961925854 /nfs/dbraw/zinc/92/58/54/961925854.db2.gz QWUCLNXYGGHKHH-IAGOWNOFSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C(CC)CC)C[C@@H]1C ZINC001570429121 961959638 /nfs/dbraw/zinc/95/96/38/961959638.db2.gz OOBIAUPXBWJXDX-HOCLYGCPSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1CC[N@H+](CCC)CC1(C)C ZINC001570397946 961962928 /nfs/dbraw/zinc/96/29/28/961962928.db2.gz RMIPFLBEFPUVPS-PBHICJAKSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)CCC)C[C@H]1C ZINC001570440265 961967375 /nfs/dbraw/zinc/96/73/75/961967375.db2.gz JTZWOOSVIHVIOA-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC2CCC2)[C@@H](C)C1 ZINC001570440467 961969278 /nfs/dbraw/zinc/96/92/78/961969278.db2.gz MAVHAVROSRJJHL-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCCC(=O)N1CCC(C[N@@H+](CC)CC=C)CC1 ZINC001570502729 961974603 /nfs/dbraw/zinc/97/46/03/961974603.db2.gz LRRZEGNQYYPAED-UHFFFAOYSA-N 1 1 278.440 3.089 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)CC1CCN(C(=O)C2CCC2)CC1 ZINC001570499579 961981658 /nfs/dbraw/zinc/98/16/58/961981658.db2.gz XIYPIVUEQJJSHD-UHFFFAOYSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC=C(C)C ZINC001570537711 961985446 /nfs/dbraw/zinc/98/54/46/961985446.db2.gz FYHPTDJQUMRMOE-DLBZAZTESA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCCC(=O)NC[C@@H](C)[N@@H+](C)[C@H](C)c1ccccc1C ZINC001570700995 962043045 /nfs/dbraw/zinc/04/30/45/962043045.db2.gz ZRQZCTXSJOQZIN-HZPDHXFCSA-N 1 1 288.435 3.459 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H](C)[N@H+](C)C[C@H](C)CC ZINC001570714476 962062957 /nfs/dbraw/zinc/06/29/57/962062957.db2.gz PRZOEIKZUWSYHK-ZIAGYGMSSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)CC(C)C)C(C)(C)C1 ZINC001570907787 962105059 /nfs/dbraw/zinc/10/50/59/962105059.db2.gz OELBNARQUYCSLX-JKSUJKDBSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](CCC2CC2)CC1(C)C ZINC001570905682 962109863 /nfs/dbraw/zinc/10/98/63/962109863.db2.gz XRHPCLQDBGXZCZ-OAHLLOKOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@@H+](CCC2CC2)CC1(C)C ZINC001570902016 962110952 /nfs/dbraw/zinc/11/09/52/962110952.db2.gz KLKHOGOVSGDQOU-GOEBONIOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)CCCCC(C)C)C2)C1 ZINC001571048623 962116233 /nfs/dbraw/zinc/11/62/33/962116233.db2.gz GZPIUUJXGQICTC-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCCC)C[C@@H]2C1 ZINC001571023639 962120447 /nfs/dbraw/zinc/12/04/47/962120447.db2.gz RJKAHAYIRVTGJX-OWCLPIDISA-N 1 1 292.467 3.215 20 30 CGEDMO C#CCCCC(=O)N1CCC([N@H+](C)CC/C=C/CC)CC1 ZINC001571330856 962135490 /nfs/dbraw/zinc/13/54/90/962135490.db2.gz ZDDQEVJOPXERDW-SOFGYWHQSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)CC(C)(C)C)[C@@H]1C ZINC001571515553 962165694 /nfs/dbraw/zinc/16/56/94/962165694.db2.gz UAPKZHDTVHYXLQ-GJZGRUSLSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCCC(=O)N[C@]12CCC[C@H]1[N@@H+](CC(=C)C)CC2 ZINC001571502553 962167040 /nfs/dbraw/zinc/16/70/40/962167040.db2.gz GHXFYRFAVQPKTA-WBVHZDCISA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)CCCC)[C@H]1C ZINC001571515606 962171027 /nfs/dbraw/zinc/17/10/27/962171027.db2.gz ULFIGEGTWITITN-HUUCEWRRSA-N 1 1 266.429 3.112 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CCC2CC2)[C@H]1C ZINC001571521453 962171602 /nfs/dbraw/zinc/17/16/02/962171602.db2.gz RTTVJUXTMVULAA-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)CC(C)C)[C@@H]1C ZINC001571525673 962175817 /nfs/dbraw/zinc/17/58/17/962175817.db2.gz VQIYWUMNRFBYKK-HOTGVXAUSA-N 1 1 292.467 3.051 20 30 CGEDMO CC#CC[N@H+](C)CCN(C(=O)C[C@@H](C)CCC)C(C)C ZINC001571610077 962190205 /nfs/dbraw/zinc/19/02/05/962190205.db2.gz FDQVIPXKMZDRCO-INIZCTEOSA-N 1 1 280.456 3.005 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)[C@H](C)C(CC)CC)CC1 ZINC001571690012 962215232 /nfs/dbraw/zinc/21/52/32/962215232.db2.gz NHNAAXFNWKIDMV-OAHLLOKOSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H](C)[C@H](C)CC ZINC001573341925 962251027 /nfs/dbraw/zinc/25/10/27/962251027.db2.gz RFLHMEGJPJSDDL-KGLIPLIRSA-N 1 1 299.422 3.289 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC001588456224 963280630 /nfs/dbraw/zinc/28/06/30/963280630.db2.gz JCTAXXJXKGZTSS-VBNZEHGJSA-N 1 1 295.390 3.111 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@@](F)(c3ccccc3)C2)C1 ZINC000590180827 346834788 /nfs/dbraw/zinc/83/47/88/346834788.db2.gz GQXOVZAODNIQRT-BMFZPTHFSA-N 1 1 258.340 3.249 20 30 CGEDMO C=CC[C@H]1CC[C@@H]([NH2+]C2CC(N3CCCCC3)C2)C1 ZINC000651791284 398288603 /nfs/dbraw/zinc/28/86/03/398288603.db2.gz NIZOUGVTMNKSCU-NJINODPHSA-N 1 1 262.441 3.338 20 30 CGEDMO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ncn(-c3ccccc3)n2)C1 ZINC000651817487 398292519 /nfs/dbraw/zinc/29/25/19/398292519.db2.gz NIOZSRMDQWKGPL-LSDHHAIUSA-N 1 1 282.391 3.102 20 30 CGEDMO N#Cc1ccc(OCC[N@H+]2CCC[C@H]2c2ccncc2)cc1 ZINC000125560296 187191450 /nfs/dbraw/zinc/19/14/50/187191450.db2.gz QVHVCLGJFBVFGY-SFHVURJKSA-N 1 1 293.370 3.169 20 30 CGEDMO COc1cccc2c1C[N@@H+](Cc1ccc(CC#N)cc1)CC2 ZINC000590760001 346872222 /nfs/dbraw/zinc/87/22/22/346872222.db2.gz CBXUZFQRUXERME-UHFFFAOYSA-N 1 1 292.382 3.320 20 30 CGEDMO Cc1ccc(C[N@H+](C)Cc2ccnc(C#N)c2)cc1C ZINC000590764959 346873372 /nfs/dbraw/zinc/87/33/72/346873372.db2.gz JBKWQVXYWMBIGE-UHFFFAOYSA-N 1 1 265.360 3.202 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000591013291 346894676 /nfs/dbraw/zinc/89/46/76/346894676.db2.gz WOCJZDNIGNEHKL-GOEBONIOSA-N 1 1 258.365 3.142 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000591014872 346894111 /nfs/dbraw/zinc/89/41/11/346894111.db2.gz QLTLFMIRLROXLT-DZGCQCFKSA-N 1 1 260.406 3.469 20 30 CGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000591061836 346897283 /nfs/dbraw/zinc/89/72/83/346897283.db2.gz KEERLHKKQNYVLP-XJKSGUPXSA-N 1 1 297.402 3.007 20 30 CGEDMO N#CC1(C[NH2+]Cc2cc3cc(Cl)cnc3o2)CCC1 ZINC000591357707 346916990 /nfs/dbraw/zinc/91/69/90/346916990.db2.gz TTWWAWKHKXPDJX-UHFFFAOYSA-N 1 1 275.739 3.265 20 30 CGEDMO CC(C)[C@@H]1CN(C)CC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000591849431 346943072 /nfs/dbraw/zinc/94/30/72/346943072.db2.gz XMWOCAPRYVLCCF-SFHVURJKSA-N 1 1 299.462 3.260 20 30 CGEDMO CC(C)[C@@H]1C[N@H+](C)CCN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000591849431 346943076 /nfs/dbraw/zinc/94/30/76/346943076.db2.gz XMWOCAPRYVLCCF-SFHVURJKSA-N 1 1 299.462 3.260 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](C)CCN1Cc1ccc(C(C)(C)C#N)cc1 ZINC000591849431 346943079 /nfs/dbraw/zinc/94/30/79/346943079.db2.gz XMWOCAPRYVLCCF-SFHVURJKSA-N 1 1 299.462 3.260 20 30 CGEDMO N#Cc1cnccc1C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000592060520 346957957 /nfs/dbraw/zinc/95/79/57/346957957.db2.gz RVKAHYPQTXMKPB-SFHVURJKSA-N 1 1 295.361 3.299 20 30 CGEDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1Cc1ccncc1C#N ZINC000592072540 346960149 /nfs/dbraw/zinc/96/01/49/346960149.db2.gz PQYIJRYFIZQRDJ-BBRMVZONSA-N 1 1 257.381 3.354 20 30 CGEDMO C[N@H+](CCC(C)(C)C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000592145582 346966916 /nfs/dbraw/zinc/96/69/16/346966916.db2.gz YDCBBGNGXHMMAN-UHFFFAOYSA-N 1 1 275.352 3.334 20 30 CGEDMO C[N@@H+](CCC(C)(C)C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000592145582 346966918 /nfs/dbraw/zinc/96/69/18/346966918.db2.gz YDCBBGNGXHMMAN-UHFFFAOYSA-N 1 1 275.352 3.334 20 30 CGEDMO C[C@@H](c1ccc2ccccc2c1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592150901 346966988 /nfs/dbraw/zinc/96/69/88/346966988.db2.gz JIUDGVDPEVSEOT-KBXCAEBGSA-N 1 1 280.371 3.251 20 30 CGEDMO C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151838 346967619 /nfs/dbraw/zinc/96/76/19/346967619.db2.gz RSDVIQVELOOVJU-KSSFIOAISA-N 1 1 286.419 3.396 20 30 CGEDMO COc1cncc(/C=C/CC[N@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000592101805 346963645 /nfs/dbraw/zinc/96/36/45/346963645.db2.gz SLCOQFRZPHDHFC-ZNNBYXKUSA-N 1 1 285.391 3.119 20 30 CGEDMO N#CCSCCC[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000592197783 346971367 /nfs/dbraw/zinc/97/13/67/346971367.db2.gz JKWNMTRVNBULOF-CQSZACIVSA-N 1 1 252.427 3.288 20 30 CGEDMO CC[N@@H+](CCCOc1cccc(C#N)c1)CCSC ZINC000592202458 346972387 /nfs/dbraw/zinc/97/23/87/346972387.db2.gz ZJCAMOOZVIQJOG-UHFFFAOYSA-N 1 1 278.421 3.012 20 30 CGEDMO C[N@@H+](CCSCc1ccncc1C#N)Cc1ccccc1 ZINC000592349830 346977343 /nfs/dbraw/zinc/97/73/43/346977343.db2.gz GJGAXFJOELCJEB-UHFFFAOYSA-N 1 1 297.427 3.318 20 30 CGEDMO C[C@@H]1CC2(C[N@H+]1Cc1ccc(C#N)c(F)c1)CCOCC2 ZINC000592182550 346970149 /nfs/dbraw/zinc/97/01/49/346970149.db2.gz DCSVOEKLFRRJIG-CYBMUJFWSA-N 1 1 288.366 3.088 20 30 CGEDMO CCCC[N@@H+](CCCC#N)[C@H]1CCc2ncsc2C1 ZINC000592188329 346970455 /nfs/dbraw/zinc/97/04/55/346970455.db2.gz MCXCMVYDKWKCPA-ZDUSSCGKSA-N 1 1 277.437 3.406 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]C[C@@H](OC(C)C)c1ccccc1 ZINC000573546723 334945757 /nfs/dbraw/zinc/94/57/57/334945757.db2.gz QJEVXZXAJDWMOB-JKSUJKDBSA-N 1 1 260.381 3.435 20 30 CGEDMO C[N@@H+](CCNc1c(C#N)cccc1C#N)C1CCCCC1 ZINC000436309620 529918118 /nfs/dbraw/zinc/91/81/18/529918118.db2.gz GDNVITFASSUGIY-UHFFFAOYSA-N 1 1 282.391 3.106 20 30 CGEDMO CCC(CC)[N@@H+](CC)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593028694 347029410 /nfs/dbraw/zinc/02/94/10/347029410.db2.gz KVXAIIRSRWBUFH-UHFFFAOYSA-N 1 1 275.352 3.477 20 30 CGEDMO C[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)C2(CCC2)CO1 ZINC000593091364 347038227 /nfs/dbraw/zinc/03/82/27/347038227.db2.gz GXAVLASZSQFNDY-OAHLLOKOSA-N 1 1 276.424 3.494 20 30 CGEDMO CC[C@@H](C)[N@@H+](CC)CCC(=O)Nc1ccccc1C#N ZINC000037113083 344947241 /nfs/dbraw/zinc/94/72/41/344947241.db2.gz FZDROHTWELBNET-CYBMUJFWSA-N 1 1 273.380 3.007 20 30 CGEDMO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cccc(C#N)c2)on1 ZINC000047273590 345049777 /nfs/dbraw/zinc/04/97/77/345049777.db2.gz GIRVPSXEVWGASE-HNNXBMFYSA-N 1 1 267.332 3.192 20 30 CGEDMO Cc1cc([C@@H]2CCC[N@H+]2Cc2cccc(C#N)c2)on1 ZINC000047273590 345049780 /nfs/dbraw/zinc/04/97/80/345049780.db2.gz GIRVPSXEVWGASE-HNNXBMFYSA-N 1 1 267.332 3.192 20 30 CGEDMO C=CC[NH+](CC=C)CC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000052869414 345109665 /nfs/dbraw/zinc/10/96/65/345109665.db2.gz UOKGXIBTKGXGPY-GOSISDBHSA-N 1 1 298.430 3.196 20 30 CGEDMO C[N@@H+](CCCC#N)Cc1ccc(OC(F)F)cc1 ZINC000052922915 345111134 /nfs/dbraw/zinc/11/11/34/345111134.db2.gz YIUYRTJTFKDNIV-UHFFFAOYSA-N 1 1 254.280 3.024 20 30 CGEDMO C=CC[N@H+](C)Cc1c(C)nn(-c2ccccc2)c1C ZINC000061801035 345234104 /nfs/dbraw/zinc/23/41/04/345234104.db2.gz KWISIFHLAIITJA-UHFFFAOYSA-N 1 1 255.365 3.107 20 30 CGEDMO Cc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)on1 ZINC000063750906 345253422 /nfs/dbraw/zinc/25/34/22/345253422.db2.gz DURDAKFSFSUKFZ-UHFFFAOYSA-N 1 1 269.348 3.265 20 30 CGEDMO Cc1ccc(SCC[N@@H+](C)C[C@@H](C)C#N)cc1C ZINC000064798481 345265133 /nfs/dbraw/zinc/26/51/33/345265133.db2.gz BXOOCCLWXYFVRN-LBPRGKRZSA-N 1 1 262.422 3.487 20 30 CGEDMO Cc1ccc(SCC[N@H+](C)C[C@@H](C)C#N)cc1C ZINC000064798481 345265135 /nfs/dbraw/zinc/26/51/35/345265135.db2.gz BXOOCCLWXYFVRN-LBPRGKRZSA-N 1 1 262.422 3.487 20 30 CGEDMO N#Cc1ccc(OCC[N@@H+](C2CC2)C2CCCC2)cc1 ZINC000064808410 345265154 /nfs/dbraw/zinc/26/51/54/345265154.db2.gz WEZADZPLISVYIZ-UHFFFAOYSA-N 1 1 270.376 3.344 20 30 CGEDMO CC[N@@H+](CCOc1ccccc1C#N)[C@H](C)C(C)C ZINC000065299031 345271456 /nfs/dbraw/zinc/27/14/56/345271456.db2.gz BWRFURUJFOQNGY-CQSZACIVSA-N 1 1 260.381 3.303 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccnc(C#N)c1)c1ccccc1Cl ZINC000068753860 345361520 /nfs/dbraw/zinc/36/15/20/345361520.db2.gz TVJOMBXVBPIVEV-LLVKDONJSA-N 1 1 271.751 3.457 20 30 CGEDMO CCC[N@@H+](CCn1nc(C)cc1C)Cc1ccc(C#N)cc1 ZINC000068808406 345363913 /nfs/dbraw/zinc/36/39/13/345363913.db2.gz GMNREGUYEFZPKS-UHFFFAOYSA-N 1 1 296.418 3.284 20 30 CGEDMO C=CCCC[N@H+](C)CCC(=O)Nc1cc(F)cc(F)c1 ZINC000072666114 345415575 /nfs/dbraw/zinc/41/55/75/345415575.db2.gz VAPNUHCNOGNBNU-UHFFFAOYSA-N 1 1 282.334 3.191 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)Cc1sccc1C ZINC000073641696 345447663 /nfs/dbraw/zinc/44/76/63/345447663.db2.gz PPJXVKNSUTZBSZ-CQSZACIVSA-N 1 1 294.464 3.301 20 30 CGEDMO CC[C@H]1CCCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075616157 345515835 /nfs/dbraw/zinc/51/58/35/345515835.db2.gz LXTXTCXRDCRNME-HNNXBMFYSA-N 1 1 296.374 3.373 20 30 CGEDMO CCC[N@@H+](C)C[C@H]1CCN(c2cc(Cl)ccc2C#N)C1 ZINC000078562457 345613031 /nfs/dbraw/zinc/61/30/31/345613031.db2.gz CCLCTYFDGXWLAE-CYBMUJFWSA-N 1 1 291.826 3.380 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000091512909 345818173 /nfs/dbraw/zinc/81/81/73/345818173.db2.gz BDWRJJJDUXSVQD-HUUCEWRRSA-N 1 1 261.413 3.029 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccc(C(=O)OC)c(F)c1 ZINC000089128947 345766022 /nfs/dbraw/zinc/76/60/22/345766022.db2.gz VUHPRGQTIGGDOB-UHFFFAOYSA-N 1 1 265.328 3.010 20 30 CGEDMO C[C@@H](O)[C@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000089931600 345776527 /nfs/dbraw/zinc/77/65/27/345776527.db2.gz MVTCVMREZCQSNC-CABCVRRESA-N 1 1 286.419 3.081 20 30 CGEDMO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1cncc(F)c1 ZINC000090117286 345784101 /nfs/dbraw/zinc/78/41/01/345784101.db2.gz FPRCMYSSHIVGGC-JTQLQIEISA-N 1 1 273.286 3.082 20 30 CGEDMO N#Cc1ccc(C[N@H+](CCO)[C@H]2CCCc3ccccc32)o1 ZINC000093388451 345876844 /nfs/dbraw/zinc/87/68/44/345876844.db2.gz TWNTZODOFCJEAP-SFHVURJKSA-N 1 1 296.370 3.023 20 30 CGEDMO C[C@@H](CC#N)[NH2+]Cc1ccc(Cl)c(Br)c1 ZINC000134971368 346084612 /nfs/dbraw/zinc/08/46/12/346084612.db2.gz FERFHVDQBQMYRT-QMMMGPOBSA-N 1 1 287.588 3.494 20 30 CGEDMO Cc1ccc(C[NH2+][C@H](C)CC#N)cc1Br ZINC000134972949 346084923 /nfs/dbraw/zinc/08/49/23/346084923.db2.gz DDHISPVFPHWMPG-SNVBAGLBSA-N 1 1 267.170 3.149 20 30 CGEDMO CCO[C@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135242778 346087090 /nfs/dbraw/zinc/08/70/90/346087090.db2.gz FXSQRLHBXBIRPS-INIZCTEOSA-N 1 1 286.419 3.489 20 30 CGEDMO CC(C)[C@H]1CCC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000140441162 346104198 /nfs/dbraw/zinc/10/41/98/346104198.db2.gz MZKADWVWWDKOBY-QGZVFWFLSA-N 1 1 299.418 3.054 20 30 CGEDMO C[N@H+](CCOc1ccc(Cl)cc1)C[C@H](C#N)CCC#N ZINC000072589699 260277249 /nfs/dbraw/zinc/27/72/49/260277249.db2.gz QHYSSBREDSRRKH-ZDUSSCGKSA-N 1 1 291.782 3.094 20 30 CGEDMO C[N@@H+](CCOc1ccc(Cl)cc1)C[C@H](C#N)CCC#N ZINC000072589699 260277251 /nfs/dbraw/zinc/27/72/51/260277251.db2.gz QHYSSBREDSRRKH-ZDUSSCGKSA-N 1 1 291.782 3.094 20 30 CGEDMO CC(C)[N@@H+](CCC#N)C[C@@H]1CCOc2ccccc21 ZINC000162733403 346179120 /nfs/dbraw/zinc/17/91/20/346179120.db2.gz BSIFLKGEFDIRSY-AWEZNQCLSA-N 1 1 258.365 3.177 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+](C)Cc1ccccc1 ZINC000165430745 346183698 /nfs/dbraw/zinc/18/36/98/346183698.db2.gz DPNYRDNRQPHYIF-UHFFFAOYSA-N 1 1 250.345 3.499 20 30 CGEDMO Cc1ccc(C)c([C@H]2CCC[N@H+]2CCOCCC#N)c1 ZINC000292797577 346429660 /nfs/dbraw/zinc/42/96/60/346429660.db2.gz LZRXJRJWYWVMAS-QGZVFWFLSA-N 1 1 272.392 3.371 20 30 CGEDMO Cc1ccoc1C[N@H+](C)Cc1ccc(C#N)cc1C ZINC000311806762 346475166 /nfs/dbraw/zinc/47/51/66/346475166.db2.gz LESGAGDBJUQTHC-UHFFFAOYSA-N 1 1 254.333 3.400 20 30 CGEDMO CC(C)O[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000593660363 347100752 /nfs/dbraw/zinc/10/07/52/347100752.db2.gz PMWWYHXTXNMTEZ-LBPRGKRZSA-N 1 1 264.394 3.009 20 30 CGEDMO CCn1nc(C[N@@H+]2CCC[C@H](CC#N)C2)c2ccccc21 ZINC000397562722 346582937 /nfs/dbraw/zinc/58/29/37/346582937.db2.gz AKZGTPQMJCWPDI-CQSZACIVSA-N 1 1 282.391 3.182 20 30 CGEDMO CCn1nc(C[N@H+]2CCC[C@H](CC#N)C2)c2ccccc21 ZINC000397562722 346582938 /nfs/dbraw/zinc/58/29/38/346582938.db2.gz AKZGTPQMJCWPDI-CQSZACIVSA-N 1 1 282.391 3.182 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccnc(C#N)c2)CCc2ccccc21 ZINC000404723212 346600815 /nfs/dbraw/zinc/60/08/15/346600815.db2.gz WDDMUBOVQKVQEZ-CQSZACIVSA-N 1 1 277.371 3.115 20 30 CGEDMO C=CCC[C@H](C)[NH2+][C@H](C(=O)OC(C)(C)C)C(C)C ZINC000543634702 346653378 /nfs/dbraw/zinc/65/33/78/346653378.db2.gz BUGGZYAJRUZQAS-STQMWFEESA-N 1 1 255.402 3.297 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@@H](C3CC3)C2)ccc1C#N ZINC000588977827 346779534 /nfs/dbraw/zinc/77/95/34/346779534.db2.gz AFZOJSWQZCVAEX-QGZVFWFLSA-N 1 1 254.377 3.489 20 30 CGEDMO N#Cc1cccc(OCCC[N@H+]2CCC[C@@H](C3CC3)C2)c1 ZINC000588978057 346779870 /nfs/dbraw/zinc/77/98/70/346779870.db2.gz OYMZYYXWTPZEKW-QGZVFWFLSA-N 1 1 284.403 3.449 20 30 CGEDMO Cc1nc(C)c(C[NH2+][C@H](CCC#N)c2ccccc2)o1 ZINC000589258977 346791213 /nfs/dbraw/zinc/79/12/13/346791213.db2.gz DBUINJJDVICXBR-OAHLLOKOSA-N 1 1 269.348 3.426 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594026965 347139323 /nfs/dbraw/zinc/13/93/23/347139323.db2.gz RAPLMUJUOQMDNB-OAHLLOKOSA-N 1 1 264.413 3.350 20 30 CGEDMO CC(C)(C#N)CC[NH2+][C@H](Cc1ccccc1)c1ncco1 ZINC000594055297 347145854 /nfs/dbraw/zinc/14/58/54/347145854.db2.gz KMOMZIPOAWOJCF-OAHLLOKOSA-N 1 1 283.375 3.488 20 30 CGEDMO C[C@@H]1C[N@H+]([C@@H]2CC[C@H](C#N)C2)CC2(CCCCC2)O1 ZINC000594057804 347146690 /nfs/dbraw/zinc/14/66/90/347146690.db2.gz MWUNCEHFLLZYHV-QLFBSQMISA-N 1 1 262.397 3.102 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@@H]1CSc1cccnc1C#N ZINC000594450971 347175618 /nfs/dbraw/zinc/17/56/18/347175618.db2.gz AJJIOCXHZPNPIO-CYBMUJFWSA-N 1 1 275.421 3.308 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)c1nccn1C ZINC000595001349 347252690 /nfs/dbraw/zinc/25/26/90/347252690.db2.gz SQIOEACWEUIWKR-CYBMUJFWSA-N 1 1 282.391 3.072 20 30 CGEDMO CC[N@@H+]1CCCC[C@H]1CNCc1ccc(C2(C#N)CC2)cc1 ZINC000594922791 347230384 /nfs/dbraw/zinc/23/03/84/347230384.db2.gz GXMKKCPYTKPZQD-SFHVURJKSA-N 1 1 297.446 3.206 20 30 CGEDMO CC[N@H+]1CCCC[C@H]1CNCc1ccc(C2(C#N)CC2)cc1 ZINC000594922791 347230386 /nfs/dbraw/zinc/23/03/86/347230386.db2.gz GXMKKCPYTKPZQD-SFHVURJKSA-N 1 1 297.446 3.206 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCc3ccccc3C2)cc1 ZINC000595288116 347286650 /nfs/dbraw/zinc/28/66/50/347286650.db2.gz GYUVMIOBOAFUTE-UHFFFAOYSA-N 1 1 262.356 3.159 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H]1COC(C)(C)C1 ZINC000595297243 347288529 /nfs/dbraw/zinc/28/85/29/347288529.db2.gz QKZAUUJUEXXUJT-INIZCTEOSA-N 1 1 270.376 3.114 20 30 CGEDMO Cc1occc1C[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595294956 347288684 /nfs/dbraw/zinc/28/86/84/347288684.db2.gz DCWJVWOOBTULOS-UHFFFAOYSA-N 1 1 254.333 3.134 20 30 CGEDMO Cc1ccc([C@H]2COCC[N@@H+]2CCc2ccc(C#N)cc2)o1 ZINC000595318470 347290855 /nfs/dbraw/zinc/29/08/55/347290855.db2.gz LOMYDDXNSOWHLH-QGZVFWFLSA-N 1 1 296.370 3.076 20 30 CGEDMO Cc1ccc([C@H]2COCC[N@H+]2CCc2ccc(C#N)cc2)o1 ZINC000595318470 347290857 /nfs/dbraw/zinc/29/08/57/347290857.db2.gz LOMYDDXNSOWHLH-QGZVFWFLSA-N 1 1 296.370 3.076 20 30 CGEDMO CO[C@H](C[N@@H+](CCC#N)CC1CC1)C1CCCCC1 ZINC000595331793 347292853 /nfs/dbraw/zinc/29/28/53/347292853.db2.gz CYYMXZLSDGRLGN-MRXNPFEDSA-N 1 1 264.413 3.207 20 30 CGEDMO CN1CC[N@@H+](CCc2ccc(C#N)cc2)C2(CCCCC2)C1 ZINC000595341734 347293822 /nfs/dbraw/zinc/29/38/22/347293822.db2.gz KHMJYXKJRRGLCR-UHFFFAOYSA-N 1 1 297.446 3.051 20 30 CGEDMO C[N@@H+]1CCN(CCc2ccc(C#N)cc2)C2(CCCCC2)C1 ZINC000595341734 347293825 /nfs/dbraw/zinc/29/38/25/347293825.db2.gz KHMJYXKJRRGLCR-UHFFFAOYSA-N 1 1 297.446 3.051 20 30 CGEDMO C[N@H+]1CCN(CCc2ccc(C#N)cc2)C2(CCCCC2)C1 ZINC000595341734 347293828 /nfs/dbraw/zinc/29/38/28/347293828.db2.gz KHMJYXKJRRGLCR-UHFFFAOYSA-N 1 1 297.446 3.051 20 30 CGEDMO C=CCCCCC[N@@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595334770 347294196 /nfs/dbraw/zinc/29/41/96/347294196.db2.gz VWKNTGLFPXBNLD-UHFFFAOYSA-N 1 1 267.329 3.069 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595334770 347294198 /nfs/dbraw/zinc/29/41/98/347294198.db2.gz VWKNTGLFPXBNLD-UHFFFAOYSA-N 1 1 267.329 3.069 20 30 CGEDMO CCC(CC)C[N@H+](CCC#N)CCO[C@@H]1CC1(F)F ZINC000595346730 347294939 /nfs/dbraw/zinc/29/49/39/347294939.db2.gz LBDXJORFMHLPQM-CYBMUJFWSA-N 1 1 274.355 3.062 20 30 CGEDMO Cn1cccc1[C@@H]1CCC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595350849 347296054 /nfs/dbraw/zinc/29/60/54/347296054.db2.gz LGIYSHINKUNHJU-SFHVURJKSA-N 1 1 279.387 3.276 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000595610360 347326320 /nfs/dbraw/zinc/32/63/20/347326320.db2.gz XBBISQHMPWJBSW-AWEZNQCLSA-N 1 1 281.359 3.467 20 30 CGEDMO C[C@@H]1CCCC[C@H]1OCC[N@H+]1CCC[C@H](CC#N)C1 ZINC000595611533 347326573 /nfs/dbraw/zinc/32/65/73/347326573.db2.gz KIOWPIYYRLHOAF-BZUAXINKSA-N 1 1 264.413 3.207 20 30 CGEDMO Cc1cccc(C)c1OCC[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595610396 347326819 /nfs/dbraw/zinc/32/68/19/347326819.db2.gz XUPZMPUXFUHEHV-INIZCTEOSA-N 1 1 272.392 3.308 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccn3)nc2)C1 ZINC000595623246 347329146 /nfs/dbraw/zinc/32/91/46/347329146.db2.gz KWCZQPPWSKQRSV-OAHLLOKOSA-N 1 1 292.386 3.269 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000595623660 347329284 /nfs/dbraw/zinc/32/92/84/347329284.db2.gz WNQZYPHWXDZJFM-GFCCVEGCSA-N 1 1 296.773 3.484 20 30 CGEDMO C=CC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)COC ZINC000595645182 347332333 /nfs/dbraw/zinc/33/23/33/347332333.db2.gz FTRDVYQPHVDZAB-LLVKDONJSA-N 1 1 298.770 3.271 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C)COC ZINC000595645182 347332336 /nfs/dbraw/zinc/33/23/36/347332336.db2.gz FTRDVYQPHVDZAB-LLVKDONJSA-N 1 1 298.770 3.271 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000595660034 347334060 /nfs/dbraw/zinc/33/40/60/347334060.db2.gz QMTXKEFZYTZKDC-ZDUSSCGKSA-N 1 1 258.340 3.485 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2csc(C(=O)OC)c2)C1 ZINC000595659503 347334327 /nfs/dbraw/zinc/33/43/27/347334327.db2.gz ORFUEJXEGSHFTN-LBPRGKRZSA-N 1 1 279.405 3.323 20 30 CGEDMO C[C@@H](CO)[C@H]1CCCC[N@H+]1CCCCC(C)(C)C#N ZINC000595672006 347336666 /nfs/dbraw/zinc/33/66/66/347336666.db2.gz HEHDKKPTUHANOH-LSDHHAIUSA-N 1 1 266.429 3.189 20 30 CGEDMO C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)[C@@H]1CCO ZINC000595699877 347341593 /nfs/dbraw/zinc/34/15/93/347341593.db2.gz OXOKAYKZKAEDBO-MLGOLLRUSA-N 1 1 292.810 3.195 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)[C@@H]1CCO ZINC000595699877 347341596 /nfs/dbraw/zinc/34/15/96/347341596.db2.gz OXOKAYKZKAEDBO-MLGOLLRUSA-N 1 1 292.810 3.195 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)[C@@H]1CCO ZINC000595703528 347343711 /nfs/dbraw/zinc/34/37/11/347343711.db2.gz TWLUUKBZYHNNSA-MLGOLLRUSA-N 1 1 292.810 3.195 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](CCF)C2)c([N+](=O)[O-])c1 ZINC000595757080 347351219 /nfs/dbraw/zinc/35/12/19/347351219.db2.gz YXPNMXJECOFYKM-LBPRGKRZSA-N 1 1 291.326 3.038 20 30 CGEDMO C=CC[N@H+](CCC(=O)Nc1cccc(C#N)c1)C(C)(C)C ZINC000595765877 347353552 /nfs/dbraw/zinc/35/35/52/347353552.db2.gz PXCHQIUYKCMCOM-UHFFFAOYSA-N 1 1 285.391 3.173 20 30 CGEDMO CCC[C@]1(COC)CCC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595462191 347306800 /nfs/dbraw/zinc/30/68/00/347306800.db2.gz TZYGCDLJDZEWGO-GOSISDBHSA-N 1 1 286.419 3.382 20 30 CGEDMO CN1CC[N@@H+](CCc2ccc(C#N)cc2)CC12CCCCC2 ZINC000595509981 347313472 /nfs/dbraw/zinc/31/34/72/347313472.db2.gz IHWLTYOPXDFVEN-UHFFFAOYSA-N 1 1 297.446 3.051 20 30 CGEDMO C[N@@H+]1CCN(CCc2ccc(C#N)cc2)CC12CCCCC2 ZINC000595509981 347313476 /nfs/dbraw/zinc/31/34/76/347313476.db2.gz IHWLTYOPXDFVEN-UHFFFAOYSA-N 1 1 297.446 3.051 20 30 CGEDMO C[N@H+]1CCN(CCc2ccc(C#N)cc2)CC12CCCCC2 ZINC000595509981 347313477 /nfs/dbraw/zinc/31/34/77/347313477.db2.gz IHWLTYOPXDFVEN-UHFFFAOYSA-N 1 1 297.446 3.051 20 30 CGEDMO CC(C)O[C@H](C[N@@H+]1CC[C@@](C)(C#N)C1)c1ccccc1 ZINC000595840587 347365790 /nfs/dbraw/zinc/36/57/90/347365790.db2.gz CCAKZTXDFUJJEK-SJORKVTESA-N 1 1 272.392 3.388 20 30 CGEDMO CC(C)O[C@H](C[N@H+]1CC[C@@](C)(C#N)C1)c1ccccc1 ZINC000595840587 347365792 /nfs/dbraw/zinc/36/57/92/347365792.db2.gz CCAKZTXDFUJJEK-SJORKVTESA-N 1 1 272.392 3.388 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C(=O)OC)ccc1F ZINC000595844417 347367489 /nfs/dbraw/zinc/36/74/89/347367489.db2.gz DPXMCKZZUONYOR-GASCZTMLSA-N 1 1 289.350 3.295 20 30 CGEDMO N#CC[C@H]1CCCN(c2cc[nH+]c3ccsc32)C1 ZINC000596328933 347419136 /nfs/dbraw/zinc/41/91/36/347419136.db2.gz BAHICOHQVBUXKE-LLVKDONJSA-N 1 1 257.362 3.426 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000596592576 347484150 /nfs/dbraw/zinc/48/41/50/347484150.db2.gz YHLQZQFTRPAGHX-AWEZNQCLSA-N 1 1 257.381 3.404 20 30 CGEDMO Cc1cc(C#N)cc(N[C@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000596478672 347464909 /nfs/dbraw/zinc/46/49/09/347464909.db2.gz IMOQRPKWQMRKSS-HNNXBMFYSA-N 1 1 284.407 3.081 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000597172737 347543641 /nfs/dbraw/zinc/54/36/41/347543641.db2.gz DQNARINLHRDSIZ-OAHLLOKOSA-N 1 1 270.376 3.377 20 30 CGEDMO CCCn1nccc1C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000597162853 347543648 /nfs/dbraw/zinc/54/36/48/347543648.db2.gz ZWLOBVGMJVENMV-CQSZACIVSA-N 1 1 282.391 3.358 20 30 CGEDMO CCCn1nccc1C[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000597162853 347543650 /nfs/dbraw/zinc/54/36/50/347543650.db2.gz ZWLOBVGMJVENMV-CQSZACIVSA-N 1 1 282.391 3.358 20 30 CGEDMO CCOc1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc1F ZINC000597175703 347544552 /nfs/dbraw/zinc/54/45/52/347544552.db2.gz DDQQVTYFZQAVSV-ZDUSSCGKSA-N 1 1 276.355 3.350 20 30 CGEDMO CCOc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1F ZINC000597175703 347544556 /nfs/dbraw/zinc/54/45/56/347544556.db2.gz DDQQVTYFZQAVSV-ZDUSSCGKSA-N 1 1 276.355 3.350 20 30 CGEDMO C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1CCSC1 ZINC000596980279 347523875 /nfs/dbraw/zinc/52/38/75/347523875.db2.gz YTOJXRYGPFVXHK-OAHLLOKOSA-N 1 1 272.417 3.179 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)[C@H]1C ZINC000597026470 347528810 /nfs/dbraw/zinc/52/88/10/347528810.db2.gz INRHHFSHMILWGM-KBPBESRZSA-N 1 1 254.377 3.472 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000597178453 347545429 /nfs/dbraw/zinc/54/54/29/347545429.db2.gz XKTDUEYYRBPQSK-ZDUSSCGKSA-N 1 1 253.349 3.294 20 30 CGEDMO N#CC1(c2ccc(C[N@@H+]3CC[C@@H](O)C34CCCC4)cc2)CC1 ZINC000597136122 347538937 /nfs/dbraw/zinc/53/89/37/347538937.db2.gz RSLHLBVYQLBZAK-QGZVFWFLSA-N 1 1 296.414 3.121 20 30 CGEDMO COCCCC[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597153349 347541536 /nfs/dbraw/zinc/54/15/36/347541536.db2.gz ISKUQPLHXGCOLR-UHFFFAOYSA-N 1 1 272.392 3.100 20 30 CGEDMO Cc1ncc(C[N@H+]2CCC[C@H](CC#N)C2)n1-c1ccccc1 ZINC000597173567 347543065 /nfs/dbraw/zinc/54/30/65/347543065.db2.gz KFAIMPIJALSGRB-MRXNPFEDSA-N 1 1 294.402 3.306 20 30 CGEDMO CCC1(CC)CCC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000597208426 347554317 /nfs/dbraw/zinc/55/43/17/347554317.db2.gz MKYISAVDJXICMA-UHFFFAOYSA-N 1 1 297.406 3.003 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000598649795 347675591 /nfs/dbraw/zinc/67/55/91/347675591.db2.gz FHVQSUSTQBNWBA-QWHCGFSZSA-N 1 1 288.382 3.091 20 30 CGEDMO CCC(C#N)(CC)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000599015061 347706188 /nfs/dbraw/zinc/70/61/88/347706188.db2.gz VKENMWIGICWCEN-UHFFFAOYSA-N 1 1 293.455 3.087 20 30 CGEDMO C[N@H+](Cc1cccc(Cl)c1)C[C@@H](O)CC(C)(C)C#N ZINC000598585404 347666737 /nfs/dbraw/zinc/66/67/37/347666737.db2.gz CJSAMSPHBJHHKE-AWEZNQCLSA-N 1 1 280.799 3.073 20 30 CGEDMO CC(C)C[N@H+](Cc1ccccc1)C[C@H](O)CC(C)(C)C#N ZINC000598588638 347667511 /nfs/dbraw/zinc/66/75/11/347667511.db2.gz AFCPXCZVFYPHMH-QGZVFWFLSA-N 1 1 288.435 3.445 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCCC[C@@H]1c1ccco1 ZINC000598593623 347668475 /nfs/dbraw/zinc/66/84/75/347668475.db2.gz VLGFKKYSQGIJPB-UONOGXRCSA-N 1 1 276.380 3.107 20 30 CGEDMO C[C@H]1c2ccc(F)cc2CC[N@@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598593593 347668538 /nfs/dbraw/zinc/66/85/38/347668538.db2.gz VBABEWXFQHMPDE-SWLSCSKDSA-N 1 1 290.382 3.046 20 30 CGEDMO CC(C)C[C@@]1(C)CCC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598618873 347671340 /nfs/dbraw/zinc/67/13/40/347671340.db2.gz SEKLXNXUJXVFOL-GDBMZVCRSA-N 1 1 266.429 3.188 20 30 CGEDMO CCC(CC)CCC[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598629118 347673141 /nfs/dbraw/zinc/67/31/41/347673141.db2.gz XKOQOFYEUDXCJI-OAHLLOKOSA-N 1 1 268.445 3.435 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1C[C@@H]2CCCC[C@@]21C ZINC000599671844 347763063 /nfs/dbraw/zinc/76/30/63/347763063.db2.gz SOXXHBATYUIBEM-RDJZCZTQSA-N 1 1 270.376 3.331 20 30 CGEDMO C[C@]12CCCC[C@H]1C[N@H+]2Cc1cccc(C#N)c1F ZINC000599672758 347763345 /nfs/dbraw/zinc/76/33/45/347763345.db2.gz ZIULHQSAPLNQIS-HOCLYGCPSA-N 1 1 258.340 3.462 20 30 CGEDMO Cc1ccc(CN2CC[N@H+](C3CCC3)C[C@@H](C)C2)cc1C#N ZINC000599425707 347743363 /nfs/dbraw/zinc/74/33/63/347743363.db2.gz NKJPAYWXQPMMAQ-HNNXBMFYSA-N 1 1 297.446 3.173 20 30 CGEDMO CCOC(=O)CC[N@@H+](Cc1ccc(C)c(C#N)c1)C(C)C ZINC000599454082 347746765 /nfs/dbraw/zinc/74/67/65/347746765.db2.gz GRVNKTUHCUBESK-UHFFFAOYSA-N 1 1 288.391 3.030 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000599526760 347750465 /nfs/dbraw/zinc/75/04/65/347750465.db2.gz RJIHXMGVSZCVMR-LLVKDONJSA-N 1 1 264.300 3.132 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599592386 347756644 /nfs/dbraw/zinc/75/66/44/347756644.db2.gz YMBBOEJTBASLKJ-SOUVJXGZSA-N 1 1 279.424 3.088 20 30 CGEDMO C=CCOc1c(Cl)cc(C[NH2+]C[C@@H](C)C#N)cc1OC ZINC000600144164 347784271 /nfs/dbraw/zinc/78/42/71/347784271.db2.gz IRVAKSLBNOESOQ-NSHDSACASA-N 1 1 294.782 3.163 20 30 CGEDMO N#CC1(CC[N@H+]2CCO[C@@H](C(F)F)CC2)CCCCC1 ZINC000601975107 347931192 /nfs/dbraw/zinc/93/11/92/347931192.db2.gz LLRFHZYMZSAOSI-CYBMUJFWSA-N 1 1 286.366 3.207 20 30 CGEDMO COc1cc(C[N@@H+](C)C[C@H](C)CCC#N)cc(OC)c1 ZINC000602445382 347959383 /nfs/dbraw/zinc/95/93/83/347959383.db2.gz UKHYTZKIAJCFIB-CYBMUJFWSA-N 1 1 276.380 3.075 20 30 CGEDMO COCC[N@@H+](CCc1ccccc1)C[C@H](C)CCC#N ZINC000602444813 347959435 /nfs/dbraw/zinc/95/94/35/347959435.db2.gz OPADYGUBSAWWNF-MRXNPFEDSA-N 1 1 274.408 3.117 20 30 CGEDMO COc1cccc([C@H]2C[N@H+](C[C@H](C)CCC#N)CCO2)c1 ZINC000602461947 347961767 /nfs/dbraw/zinc/96/17/67/347961767.db2.gz JEAYCRMLHGIYBN-RHSMWYFYSA-N 1 1 288.391 3.008 20 30 CGEDMO COc1cccc([C@H]2C[N@@H+](C[C@H](C)CCC#N)CCO2)c1 ZINC000602461947 347961771 /nfs/dbraw/zinc/96/17/71/347961771.db2.gz JEAYCRMLHGIYBN-RHSMWYFYSA-N 1 1 288.391 3.008 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000602461072 347961859 /nfs/dbraw/zinc/96/18/59/347961859.db2.gz XASOGWHVSJKBGH-RDJZCZTQSA-N 1 1 272.392 3.390 20 30 CGEDMO COc1ccc2c(c1)CCC[N@H+](C[C@@H](C)CCC#N)C2 ZINC000602462477 347962160 /nfs/dbraw/zinc/96/21/60/347962160.db2.gz NCDQGDFEDMXSIC-AWEZNQCLSA-N 1 1 272.392 3.383 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000602468167 347963199 /nfs/dbraw/zinc/96/31/99/347963199.db2.gz JWTMXVDVZKJLLR-QAPCUYQASA-N 1 1 286.419 3.298 20 30 CGEDMO CCOC(=O)C1([N@@H+](C)C[C@@H](C)CCC#N)CCCCC1 ZINC000602474318 347964998 /nfs/dbraw/zinc/96/49/98/347964998.db2.gz GUGSQPKLOSCERU-AWEZNQCLSA-N 1 1 280.412 3.124 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000602474333 347965257 /nfs/dbraw/zinc/96/52/57/347965257.db2.gz HAKWKKKHPBQWLC-MGPQQGTHSA-N 1 1 252.427 3.286 20 30 CGEDMO CC[C@@H](O)C[N@H+](Cc1ccccc1)C[C@H](C)CCC#N ZINC000602475885 347965263 /nfs/dbraw/zinc/96/52/63/347965263.db2.gz MAMNDPWFTMTYGG-NVXWUHKLSA-N 1 1 274.408 3.199 20 30 CGEDMO CC(C)CC[C@H]1CCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602483758 347966934 /nfs/dbraw/zinc/96/69/34/347966934.db2.gz LLBGCTYCNZLNBF-MRXNPFEDSA-N 1 1 257.381 3.354 20 30 CGEDMO N#CCC1(C[N@H+](CCCO)[C@@H]2CCCc3ccccc32)CC1 ZINC000602783077 348028026 /nfs/dbraw/zinc/02/80/26/348028026.db2.gz XYDVKRXZVKNKKF-GOSISDBHSA-N 1 1 298.430 3.442 20 30 CGEDMO COc1ccc2c(c1)C1(CC1)C[N@H+](C[C@H](C)CCC#N)C2 ZINC000602665862 348004468 /nfs/dbraw/zinc/00/44/68/348004468.db2.gz DHOSFNPAZLLHMV-CQSZACIVSA-N 1 1 284.403 3.482 20 30 CGEDMO CC[N@@H+](C[C@H](C)CCC#N)[C@H]1CCOC(C)(C)C1 ZINC000602672286 348005886 /nfs/dbraw/zinc/00/58/86/348005886.db2.gz WCWMOLIDUUYORJ-KGLIPLIRSA-N 1 1 252.402 3.206 20 30 CGEDMO CC(C)(C)C[C@H]1CC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602687444 348009840 /nfs/dbraw/zinc/00/98/40/348009840.db2.gz WIYVCTSBVSOGJQ-CYBMUJFWSA-N 1 1 257.381 3.211 20 30 CGEDMO CCC[C@@H](C[N@@H+](C)[C@H](C)c1cccc(C#N)c1)OC ZINC000602691205 348009928 /nfs/dbraw/zinc/00/99/28/348009928.db2.gz DVGAQUOUJYRLBE-CJNGLKHVSA-N 1 1 260.381 3.366 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000602694280 348010645 /nfs/dbraw/zinc/01/06/45/348010645.db2.gz YVHUBPCRESFQTQ-ZBFHGGJFSA-N 1 1 276.424 3.207 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](CC(F)(F)F)C2)n1 ZINC000602696119 348011471 /nfs/dbraw/zinc/01/14/71/348011471.db2.gz DLTXPUNKSPLLMR-LLVKDONJSA-N 1 1 283.297 3.118 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)n1 ZINC000602696119 348011473 /nfs/dbraw/zinc/01/14/73/348011473.db2.gz DLTXPUNKSPLLMR-LLVKDONJSA-N 1 1 283.297 3.118 20 30 CGEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)CC2(CC#N)CC2)C1 ZINC000602788515 348029368 /nfs/dbraw/zinc/02/93/68/348029368.db2.gz ZVTKQPCAAOKTCD-CHWSQXEVSA-N 1 1 252.427 3.286 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000602711541 348015590 /nfs/dbraw/zinc/01/55/90/348015590.db2.gz PXCANQUJAXHARN-IEBWSBKVSA-N 1 1 299.462 3.175 20 30 CGEDMO C[C@H](CCC#N)CN1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000602711541 348015592 /nfs/dbraw/zinc/01/55/92/348015592.db2.gz PXCANQUJAXHARN-IEBWSBKVSA-N 1 1 299.462 3.175 20 30 CGEDMO C[C@H](CCC#N)CN1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000602711541 348015595 /nfs/dbraw/zinc/01/55/95/348015595.db2.gz PXCANQUJAXHARN-IEBWSBKVSA-N 1 1 299.462 3.175 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](CC(=O)OC(C)(C)C)C1CCC1 ZINC000602711338 348015896 /nfs/dbraw/zinc/01/58/96/348015896.db2.gz OEYMXGOMKVWNLH-CYBMUJFWSA-N 1 1 280.412 3.122 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1C[C@H](C)OC2(CCCCC2)C1 ZINC000602712960 348015968 /nfs/dbraw/zinc/01/59/68/348015968.db2.gz WWIJJBLYUOZWNL-GJZGRUSLSA-N 1 1 264.413 3.350 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC[C@@H](N(C)c2ccccc2)C1 ZINC000602719230 348016503 /nfs/dbraw/zinc/01/65/03/348016503.db2.gz WMLZMPAUMJAHHW-NVXWUHKLSA-N 1 1 271.408 3.137 20 30 CGEDMO CC[C@@H](C)[C@@H](C[N@H+]1CCc2c(CC#N)cccc2C1)OC ZINC000602731912 348020227 /nfs/dbraw/zinc/02/02/27/348020227.db2.gz YUUVTBLXNORAJT-RDTXWAMCSA-N 1 1 286.419 3.172 20 30 CGEDMO N#CCC1(C[N@H+]2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000602758675 348024619 /nfs/dbraw/zinc/02/46/19/348024619.db2.gz GZQHDFMSBNOVPF-MRXNPFEDSA-N 1 1 254.377 3.387 20 30 CGEDMO CC[N@@H+](Cc1cc[nH]c(=O)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000602764314 348025744 /nfs/dbraw/zinc/02/57/44/348025744.db2.gz PJXYUFXHTCHPLH-CYBMUJFWSA-N 1 1 281.359 3.242 20 30 CGEDMO C[C@H](c1ccsc1)[NH+]1CCN(CC2(CC#N)CC2)CC1 ZINC000602812460 348033360 /nfs/dbraw/zinc/03/33/60/348033360.db2.gz XQZFOXBZEPWCHW-CQSZACIVSA-N 1 1 289.448 3.121 20 30 CGEDMO C[C@H](c1ccsc1)N1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602812460 348033364 /nfs/dbraw/zinc/03/33/64/348033364.db2.gz XQZFOXBZEPWCHW-CQSZACIVSA-N 1 1 289.448 3.121 20 30 CGEDMO N#CCC1(C[N@H+](Cc2ccccc2)[C@H](CO)C2CCC2)CC1 ZINC000602851994 348036585 /nfs/dbraw/zinc/03/65/85/348036585.db2.gz MGSHSPDSDAUCNG-GOSISDBHSA-N 1 1 298.430 3.343 20 30 CGEDMO CC(C)CSCCC[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602980215 348049923 /nfs/dbraw/zinc/04/99/23/348049923.db2.gz NCEWCQVEDZDXFU-KGLIPLIRSA-N 1 1 254.443 3.390 20 30 CGEDMO C[N@@H+](CCCCOC(C)(C)C)[C@H]1CCC[C@H]1C#N ZINC000602979179 348049995 /nfs/dbraw/zinc/04/99/95/348049995.db2.gz ATEJOMYJCOYYHC-KBPBESRZSA-N 1 1 252.402 3.206 20 30 CGEDMO COc1ccc([C@H](C)C[N@@H+](C)[C@H]2CCC[C@H]2C#N)cc1 ZINC000602982330 348052527 /nfs/dbraw/zinc/05/25/27/348052527.db2.gz QTYINGSGLBVHNP-KMFMINBZSA-N 1 1 272.392 3.423 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@H](C3CCC3)CC2)ccn1 ZINC000603000240 348053855 /nfs/dbraw/zinc/05/38/55/348053855.db2.gz YIRYFJMDHBGFBD-INIZCTEOSA-N 1 1 269.392 3.355 20 30 CGEDMO C=CCCCCC[N@H+](C)CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000606902661 348206209 /nfs/dbraw/zinc/20/62/09/348206209.db2.gz IPWUUEPHLGDQBD-IYBDPMFKSA-N 1 1 280.456 3.454 20 30 CGEDMO CC[C@@H]1CCCC[N@H+]1CCNc1ncc(C#N)cc1Cl ZINC000609595540 348348690 /nfs/dbraw/zinc/34/86/90/348348690.db2.gz BPQWHZOELCIXOD-CYBMUJFWSA-N 1 1 292.814 3.283 20 30 CGEDMO C[C@@H]1CCC[C@H](C)C[N@@H+]1CCOc1cccc(C#N)c1 ZINC000610215348 348367460 /nfs/dbraw/zinc/36/74/60/348367460.db2.gz FAPBCRSBGGSHDM-LSDHHAIUSA-N 1 1 272.392 3.448 20 30 CGEDMO N#Cc1cc(F)ccc1NCC[NH+]1Cc2ccccc2C1 ZINC000610274623 348370423 /nfs/dbraw/zinc/37/04/23/348370423.db2.gz UPOZESGIZAOSOW-UHFFFAOYSA-N 1 1 281.334 3.125 20 30 CGEDMO C[C@@H](CC#N)[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000610342876 348377100 /nfs/dbraw/zinc/37/71/00/348377100.db2.gz DLOZOLBVAGFIEJ-LBPRGKRZSA-N 1 1 274.364 3.034 20 30 CGEDMO CCO[C@H]1CCC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000610002220 348359944 /nfs/dbraw/zinc/35/99/44/348359944.db2.gz QEPZXZDFYFCMEU-CJNGLKHVSA-N 1 1 258.365 3.120 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]2C2CCCCC2)ccn1 ZINC000610992035 348415600 /nfs/dbraw/zinc/41/56/00/348415600.db2.gz QFFHBKCBYXSRAJ-QGZVFWFLSA-N 1 1 269.392 3.498 20 30 CGEDMO CC[N@@H+](Cc1ccnc(C#N)c1)[C@@H](C)c1cccc(O)c1 ZINC000610994665 348416388 /nfs/dbraw/zinc/41/63/88/348416388.db2.gz MAIUTNNXOPPNKX-ZDUSSCGKSA-N 1 1 281.359 3.242 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccnc(C#N)c2)[C@@H]1c1ccccc1 ZINC000610994259 348416683 /nfs/dbraw/zinc/41/66/83/348416683.db2.gz AFBCQRQFLWGMLU-DYVFJYSZSA-N 1 1 263.344 3.146 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccnc(C#N)c2)[C@@H]1c1ccccc1 ZINC000610994259 348416687 /nfs/dbraw/zinc/41/66/87/348416687.db2.gz AFBCQRQFLWGMLU-DYVFJYSZSA-N 1 1 263.344 3.146 20 30 CGEDMO COCC[N@H+](CCC#N)CC[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000610681990 348396068 /nfs/dbraw/zinc/39/60/68/348396068.db2.gz GUJQHZNWDHVGFI-ZSHCYNCHSA-N 1 1 266.429 3.311 20 30 CGEDMO COCC[N@@H+](CCC#N)CC[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000610681990 348396071 /nfs/dbraw/zinc/39/60/71/348396071.db2.gz GUJQHZNWDHVGFI-ZSHCYNCHSA-N 1 1 266.429 3.311 20 30 CGEDMO COCc1cnc(C[NH2+][C@H](C)c2cccc(C#N)c2)s1 ZINC000611314496 348437809 /nfs/dbraw/zinc/43/78/09/348437809.db2.gz IXRWDJBWMUKCNR-LLVKDONJSA-N 1 1 287.388 3.012 20 30 CGEDMO COC(=O)c1oc(C[NH2+][C@@H](C)c2cccc(C#N)c2)cc1C ZINC000611388597 348443546 /nfs/dbraw/zinc/44/35/46/348443546.db2.gz KRFMCBGRTZDWTH-LBPRGKRZSA-N 1 1 298.342 3.097 20 30 CGEDMO Cc1cc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)on1 ZINC000611392290 348445145 /nfs/dbraw/zinc/44/51/45/348445145.db2.gz PTJMRHQVMHFJAO-MRXNPFEDSA-N 1 1 267.332 3.022 20 30 CGEDMO C[C@H](CC#N)[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000612584393 348529388 /nfs/dbraw/zinc/52/93/88/348529388.db2.gz DYWDNWGZIXWEMK-SNVBAGLBSA-N 1 1 259.740 3.280 20 30 CGEDMO CC(C)(C#N)CN[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000612588231 348531996 /nfs/dbraw/zinc/53/19/96/348531996.db2.gz SSQBIYZJBOPWEZ-MRXNPFEDSA-N 1 1 285.435 3.179 20 30 CGEDMO CC(C)(C#N)C[NH2+][C@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000612588231 348532000 /nfs/dbraw/zinc/53/20/00/348532000.db2.gz SSQBIYZJBOPWEZ-MRXNPFEDSA-N 1 1 285.435 3.179 20 30 CGEDMO CC(C)(C)c1ccc(C#N)c(NC[C@@H]2CC[N@H+](C3CC3)C2)n1 ZINC000613411841 348598165 /nfs/dbraw/zinc/59/81/65/348598165.db2.gz SUCMYMHGKDZZED-ZDUSSCGKSA-N 1 1 298.434 3.147 20 30 CGEDMO CC(C)[N@@H+](C)CCNc1nc(C(C)(C)C)ccc1C#N ZINC000613419671 348599861 /nfs/dbraw/zinc/59/98/61/348599861.db2.gz AZVOSOHCCUUQBK-UHFFFAOYSA-N 1 1 274.412 3.003 20 30 CGEDMO C[C@H](C#N)C[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614166792 348653522 /nfs/dbraw/zinc/65/35/22/348653522.db2.gz PGTYYYJWILPGLT-CYBMUJFWSA-N 1 1 255.365 3.079 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614166792 348653524 /nfs/dbraw/zinc/65/35/24/348653524.db2.gz PGTYYYJWILPGLT-CYBMUJFWSA-N 1 1 255.365 3.079 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000614176163 348655020 /nfs/dbraw/zinc/65/50/20/348655020.db2.gz NXHQMACGLBAVSO-DLBZAZTESA-N 1 1 298.430 3.346 20 30 CGEDMO CC[N@@H+](Cc1ccnc(C#N)c1)[C@H]1CCCC[C@H]1C ZINC000614916169 348700312 /nfs/dbraw/zinc/70/03/12/348700312.db2.gz QHAQXIVSJSPIMB-CJNGLKHVSA-N 1 1 257.381 3.354 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C#N)c(F)c1)C1CCCC1 ZINC000616749035 348876531 /nfs/dbraw/zinc/87/65/31/348876531.db2.gz HRRZSBNBDFMCKV-UHFFFAOYSA-N 1 1 276.355 3.088 20 30 CGEDMO C[C@H](NCC[N@H+]1CCCC[C@H]1C)c1ccc(C#N)cc1F ZINC000358571169 233157490 /nfs/dbraw/zinc/15/74/90/233157490.db2.gz OMVWELWHOIWIEW-KGLIPLIRSA-N 1 1 289.398 3.222 20 30 CGEDMO C[C@H]([NH2+]CCN1CCCC[C@H]1C)c1ccc(C#N)cc1F ZINC000358571169 233157508 /nfs/dbraw/zinc/15/75/08/233157508.db2.gz OMVWELWHOIWIEW-KGLIPLIRSA-N 1 1 289.398 3.222 20 30 CGEDMO Cc1cc(C[N@H+]2CC(C)(C)OCC2(C)C)ccc1C#N ZINC000618594427 349115840 /nfs/dbraw/zinc/11/58/40/349115840.db2.gz YDRPPAMADBXKBM-UHFFFAOYSA-N 1 1 272.392 3.256 20 30 CGEDMO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ncc(Cl)s1 ZINC000618740986 349151739 /nfs/dbraw/zinc/15/17/39/349151739.db2.gz AZMBNVWTDMNNGN-GFCCVEGCSA-N 1 1 289.791 3.445 20 30 CGEDMO Cc1cc(C(F)(F)F)ccc1C[NH2+]CC1(C#N)CC1 ZINC000619535231 349257782 /nfs/dbraw/zinc/25/77/82/349257782.db2.gz XTNUUQCRTNAIBX-UHFFFAOYSA-N 1 1 268.282 3.407 20 30 CGEDMO N#Cc1cccnc1NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000619549322 349258432 /nfs/dbraw/zinc/25/84/32/349258432.db2.gz RUVNXMPZKYENBF-INIZCTEOSA-N 1 1 284.407 3.162 20 30 CGEDMO C=CC(C)(C)CCNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000624465279 350048315 /nfs/dbraw/zinc/04/83/15/350048315.db2.gz KDFSHNKEMSYDAS-HNNXBMFYSA-N 1 1 295.471 3.008 20 30 CGEDMO C=CCN[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000625983677 350240577 /nfs/dbraw/zinc/24/05/77/350240577.db2.gz XKZNVMLJKQRYIT-ZDUSSCGKSA-N 1 1 273.207 3.372 20 30 CGEDMO C=CCOCC[N@H+]([C@@H](C)COC)[C@@H]1CCc2ccccc21 ZINC000626133218 350268313 /nfs/dbraw/zinc/26/83/13/350268313.db2.gz JPGSIKFWTMGBRP-MAUKXSAKSA-N 1 1 289.419 3.213 20 30 CGEDMO C=CCC1(C(=O)N2CC[NH+](CCCF)CC2)CCCCC1 ZINC000627962691 350386603 /nfs/dbraw/zinc/38/66/03/350386603.db2.gz AKNFOWMBKHUEPF-UHFFFAOYSA-N 1 1 296.430 3.017 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cccc(OC)c2OC)C1 ZINC000628405915 350529643 /nfs/dbraw/zinc/52/96/43/350529643.db2.gz XJIGMQQRSINXCZ-CYBMUJFWSA-N 1 1 261.365 3.102 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cn(C)nc2C(C)(C)C)C1 ZINC000628406738 350529663 /nfs/dbraw/zinc/52/96/63/350529663.db2.gz PTISSVRFVFHLRF-CYBMUJFWSA-N 1 1 261.413 3.116 20 30 CGEDMO C=CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000628489343 350557020 /nfs/dbraw/zinc/55/70/20/350557020.db2.gz UPOYOWDBDJHVNP-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000628491466 350558240 /nfs/dbraw/zinc/55/82/40/350558240.db2.gz YVOASVAXYNEUIV-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000632842818 351222946 /nfs/dbraw/zinc/22/29/46/351222946.db2.gz XFTDNSRUQRSLPF-INIZCTEOSA-N 1 1 290.451 3.256 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)[C@@H](C)c1ccccc1F ZINC000123181884 187076193 /nfs/dbraw/zinc/07/61/93/187076193.db2.gz YVCHMGOIKKJTDV-QWHCGFSZSA-N 1 1 251.345 3.146 20 30 CGEDMO Cc1cnc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)s1 ZINC000537407431 288528521 /nfs/dbraw/zinc/52/85/21/288528521.db2.gz QBKVMROBQOYGFI-SNVBAGLBSA-N 1 1 275.352 3.313 20 30 CGEDMO C=CC[NH+](CC=C)[C@@H](CN[C@@H](C)c1ccccn1)C(C)C ZINC000158609365 188385492 /nfs/dbraw/zinc/38/54/92/188385492.db2.gz FBOCNVPDMFQLGS-WMZOPIPTSA-N 1 1 287.451 3.431 20 30 CGEDMO C=CCC[C@H]([NH2+]Cc1nnc2n1CCCC2)c1ccccc1 ZINC000271741840 191301264 /nfs/dbraw/zinc/30/12/64/191301264.db2.gz PWJRSKCRQNLFOJ-INIZCTEOSA-N 1 1 296.418 3.412 20 30 CGEDMO C[C@H]([NH2+]C1CCN(C2CCC2)CC1)c1cccc(C#N)c1 ZINC000271845763 191364321 /nfs/dbraw/zinc/36/43/21/191364321.db2.gz HUIQBWYRTFHCRZ-AWEZNQCLSA-N 1 1 283.419 3.226 20 30 CGEDMO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccncc1F ZINC000340333976 215544602 /nfs/dbraw/zinc/54/46/02/215544602.db2.gz FHEOJRXCGRLYNS-GFCCVEGCSA-N 1 1 281.334 3.432 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCSC[C@@H]2C2CCC2)c1F ZINC000419372334 283205624 /nfs/dbraw/zinc/20/56/24/283205624.db2.gz KIAFOBVGNUUMTA-OAHLLOKOSA-N 1 1 290.407 3.415 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+](CCOc2ccccc2C#N)C1 ZINC000088704529 138342823 /nfs/dbraw/zinc/34/28/23/138342823.db2.gz XBVVMQWAFTYMEB-KGLIPLIRSA-N 1 1 258.365 3.057 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000125363910 138382276 /nfs/dbraw/zinc/38/22/76/138382276.db2.gz GINRKDJWUGRBLX-QGZVFWFLSA-N 1 1 263.344 3.290 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000125363910 138382277 /nfs/dbraw/zinc/38/22/77/138382277.db2.gz GINRKDJWUGRBLX-QGZVFWFLSA-N 1 1 263.344 3.290 20 30 CGEDMO N#Cc1ccc2c(c1)CCCC[C@H]2NCCC[NH2+]C1CC1 ZINC000423561803 236099205 /nfs/dbraw/zinc/09/92/05/236099205.db2.gz QEILYTUFMLORBR-GOSISDBHSA-N 1 1 283.419 3.057 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cn2ccsc2n1 ZINC000425530587 236257883 /nfs/dbraw/zinc/25/78/83/236257883.db2.gz FNQLRZCTKXDJCC-GFCCVEGCSA-N 1 1 296.399 3.460 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cn2ccsc2n1 ZINC000425530587 236257885 /nfs/dbraw/zinc/25/78/85/236257885.db2.gz FNQLRZCTKXDJCC-GFCCVEGCSA-N 1 1 296.399 3.460 20 30 CGEDMO C[C@H]([NH2+]Cc1cccc(C#N)c1F)c1cccc([N+](=O)[O-])c1 ZINC000341570277 216017312 /nfs/dbraw/zinc/01/73/12/216017312.db2.gz DYGBADBSQFXGND-NSHDSACASA-N 1 1 299.305 3.456 20 30 CGEDMO CSC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000178569394 189127590 /nfs/dbraw/zinc/12/75/90/189127590.db2.gz DVRYXSNSHJMIER-ZDUSSCGKSA-N 1 1 264.369 3.025 20 30 CGEDMO CS[C@@H]1CCCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000179112058 189170413 /nfs/dbraw/zinc/17/04/13/189170413.db2.gz DDGDOXCCIUKIPJ-OAHLLOKOSA-N 1 1 260.406 3.276 20 30 CGEDMO N#Cc1cccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000179174833 189175011 /nfs/dbraw/zinc/17/50/11/189175011.db2.gz HBAKPBKQBASZQA-MJGOQNOKSA-N 1 1 295.430 3.007 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000179174833 189175016 /nfs/dbraw/zinc/17/50/16/189175016.db2.gz HBAKPBKQBASZQA-MJGOQNOKSA-N 1 1 295.430 3.007 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1 ZINC000179174833 189175017 /nfs/dbraw/zinc/17/50/17/189175017.db2.gz HBAKPBKQBASZQA-MJGOQNOKSA-N 1 1 295.430 3.007 20 30 CGEDMO C[N@H+]1CCC[C@@H]1CCN(Cc1ccc(C#N)cc1)C1CC1 ZINC000179412601 189192273 /nfs/dbraw/zinc/19/22/73/189192273.db2.gz YFOWXVDVMOPSPZ-QGZVFWFLSA-N 1 1 283.419 3.007 20 30 CGEDMO N#Cc1cc(F)ccc1N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000301468594 201018899 /nfs/dbraw/zinc/01/88/99/201018899.db2.gz NJUWATVILSJZPB-MRXNPFEDSA-N 1 1 287.382 3.374 20 30 CGEDMO CC(=O)c1ccc(C#N)cc1NCCC[N@@H+]1CCCC[C@@H]1C ZINC000302109719 201343514 /nfs/dbraw/zinc/34/35/14/201343514.db2.gz OYKZUNLKVCBOTR-AWEZNQCLSA-N 1 1 299.418 3.437 20 30 CGEDMO N#CCCC[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000120395322 370764676 /nfs/dbraw/zinc/76/46/76/370764676.db2.gz PVPIYENVSDMRDV-CQSZACIVSA-N 1 1 264.756 3.097 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)CCOc1ccccc1 ZINC000120553470 370780385 /nfs/dbraw/zinc/78/03/85/370780385.db2.gz RZHZMAQDSBVQSU-UHFFFAOYSA-N 1 1 296.370 3.078 20 30 CGEDMO C[C@@H]1Cc2[nH+]cn(Cc3ccc(F)cc3C#N)c2C[C@@H]1C ZINC000451002606 240189148 /nfs/dbraw/zinc/18/91/48/240189148.db2.gz SRUUFUBKYHZUNB-NEPJUHHUSA-N 1 1 283.350 3.313 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)CC1CCCC1 ZINC000120732725 370794952 /nfs/dbraw/zinc/79/49/52/370794952.db2.gz BJBUTVYCXLRRQR-UHFFFAOYSA-N 1 1 258.365 3.189 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+](C)[C@@H](C)c1ccco1 ZINC000120725347 370795149 /nfs/dbraw/zinc/79/51/49/370795149.db2.gz MKHREOKUKYUGFG-LBPRGKRZSA-N 1 1 270.332 3.353 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000120725347 370795150 /nfs/dbraw/zinc/79/51/50/370795150.db2.gz MKHREOKUKYUGFG-LBPRGKRZSA-N 1 1 270.332 3.353 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccccn1 ZINC000275759216 193120868 /nfs/dbraw/zinc/12/08/68/193120868.db2.gz XRKKRBOXXQNDJR-CYBMUJFWSA-N 1 1 251.333 3.146 20 30 CGEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cccc(C#N)c2)C12CCC2 ZINC000120949989 370816721 /nfs/dbraw/zinc/81/67/21/370816721.db2.gz PWGBGFZHBHXGMS-IRXDYDNUSA-N 1 1 284.403 3.338 20 30 CGEDMO Cc1cc(C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)ccc1C#N ZINC000459770031 242223196 /nfs/dbraw/zinc/22/31/96/242223196.db2.gz RONBDIFJOMVOFX-RBUKOAKNSA-N 1 1 298.430 3.240 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC[C@H]2C)cc1OC ZINC000124349785 370923669 /nfs/dbraw/zinc/92/36/69/370923669.db2.gz ZYDAZFNTFMKYCA-CYBMUJFWSA-N 1 1 261.365 3.244 20 30 CGEDMO C=C(Br)C[NH2+][C@H](C)c1cc(F)ccc1OC ZINC000125095639 370930906 /nfs/dbraw/zinc/93/09/06/370930906.db2.gz ZSORRMXRQGPAQI-SECBINFHSA-N 1 1 288.160 3.394 20 30 CGEDMO C=C(C)COc1cc(C[N@@H+](C)CC2CC2)ccc1OC ZINC000122956383 370908707 /nfs/dbraw/zinc/90/87/07/370908707.db2.gz BKHDIAVIVWYMQW-UHFFFAOYSA-N 1 1 275.392 3.492 20 30 CGEDMO CC(C)[N@@H+](CCOc1ccccc1C#N)Cc1cccnc1 ZINC000125668727 370940500 /nfs/dbraw/zinc/94/05/00/370940500.db2.gz SGBDDPTXJNOAMY-UHFFFAOYSA-N 1 1 295.386 3.243 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@H+]2CCCC2(C)C)cc1 ZINC000127273350 370949847 /nfs/dbraw/zinc/94/98/47/370949847.db2.gz ACXFHWBBLQCKDS-UHFFFAOYSA-N 1 1 271.408 3.411 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000034673877 368976918 /nfs/dbraw/zinc/97/69/18/368976918.db2.gz NCPGNVACYXSNEK-AWEZNQCLSA-N 1 1 258.365 3.202 20 30 CGEDMO C#CCOc1ccccc1C[NH2+][C@H](C)c1ccco1 ZINC000035137083 369001288 /nfs/dbraw/zinc/00/12/88/369001288.db2.gz QSAZOHOBNSWHHS-CYBMUJFWSA-N 1 1 255.317 3.142 20 30 CGEDMO C=CCOc1ccccc1C[NH2+][C@H](C)c1ccccn1 ZINC000034992542 368986742 /nfs/dbraw/zinc/98/67/42/368986742.db2.gz JNUOXWAKRACHRQ-CQSZACIVSA-N 1 1 268.360 3.497 20 30 CGEDMO CC[C@@H]1CC[C@@H](C)[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000330670387 203098639 /nfs/dbraw/zinc/09/86/39/203098639.db2.gz ZFSZKKHZQRSTTD-DGCLKSJQSA-N 1 1 291.420 3.211 20 30 CGEDMO C[C@@H]([NH2+][C@@H](C)CC#N)c1cccc(Br)c1 ZINC000038012477 369140891 /nfs/dbraw/zinc/14/08/91/369140891.db2.gz LQMMYQATXBGYOV-VHSXEESVSA-N 1 1 267.170 3.402 20 30 CGEDMO C[C@H](NCC[NH+]1CCCCCC1)c1cccc(C#N)c1 ZINC000040767928 369161282 /nfs/dbraw/zinc/16/12/82/369161282.db2.gz HWNZKJYKDJTUAT-HNNXBMFYSA-N 1 1 271.408 3.085 20 30 CGEDMO C[C@@H](C1CC1)[N@@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC000042123502 369201195 /nfs/dbraw/zinc/20/11/95/369201195.db2.gz QIGBERLZKSQZKM-NSHDSACASA-N 1 1 258.340 3.460 20 30 CGEDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000042607508 369227348 /nfs/dbraw/zinc/22/73/48/369227348.db2.gz PLUFCOJNHZSCSA-XYPHTWIQSA-N 1 1 272.392 3.102 20 30 CGEDMO C=CCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000276078117 193207174 /nfs/dbraw/zinc/20/71/74/193207174.db2.gz AXMHHPBLBSTDQQ-UHFFFAOYSA-N 1 1 286.278 3.204 20 30 CGEDMO C=CCOc1ccc(CN[C@@H](C)C[NH+](CC)CC)cc1 ZINC000045691657 369284995 /nfs/dbraw/zinc/28/49/95/369284995.db2.gz MMEOLXQKQFXHIA-HNNXBMFYSA-N 1 1 276.424 3.071 20 30 CGEDMO CC(C)C(N)=[NH+]O[C@H](C)C(=O)Nc1ccccc1C(C)C ZINC000128463010 370963146 /nfs/dbraw/zinc/96/31/46/370963146.db2.gz GFFNDMGWNQLFQM-GFCCVEGCSA-N 1 1 291.395 3.082 20 30 CGEDMO CCn1cc(CC[N@@H+](CC)[C@@H](C)c2ccc(C#N)cc2)cn1 ZINC000276297551 193277053 /nfs/dbraw/zinc/27/70/53/193277053.db2.gz JDGUEISDDHUTEO-HNNXBMFYSA-N 1 1 296.418 3.400 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000057661468 369544634 /nfs/dbraw/zinc/54/46/34/369544634.db2.gz ZWMLLCCBXYBUHK-UHFFFAOYSA-N 1 1 262.356 3.311 20 30 CGEDMO C=CCC[N@H+](C)Cc1cccc(C(=O)NCC(C)C)c1 ZINC000276340781 193292832 /nfs/dbraw/zinc/29/28/32/193292832.db2.gz CGKRKRJVABZNNY-UHFFFAOYSA-N 1 1 274.408 3.080 20 30 CGEDMO C=CCC[N@@H+](C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000276476085 193347657 /nfs/dbraw/zinc/34/76/57/193347657.db2.gz SERACSGWDVBWCI-UHFFFAOYSA-N 1 1 277.755 3.398 20 30 CGEDMO C=CCC[N@H+](C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000276476085 193347659 /nfs/dbraw/zinc/34/76/59/193347659.db2.gz SERACSGWDVBWCI-UHFFFAOYSA-N 1 1 277.755 3.398 20 30 CGEDMO CC[N@@H+](CCCCOC)[C@@H](C)c1ccc(C#N)cc1 ZINC000074350258 369876024 /nfs/dbraw/zinc/87/60/24/369876024.db2.gz YWLVHHPWYUPKGB-AWEZNQCLSA-N 1 1 260.381 3.368 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1nc(C)ccc1O ZINC000092261427 370094118 /nfs/dbraw/zinc/09/41/18/370094118.db2.gz QQWISMRUHBQRBN-UHFFFAOYSA-N 1 1 268.360 3.284 20 30 CGEDMO COc1cc(C[N@H+](CCC#N)CCC(C)C)cc(OC)c1 ZINC000093100855 370109532 /nfs/dbraw/zinc/10/95/32/370109532.db2.gz HGERNRNRORHWOL-UHFFFAOYSA-N 1 1 290.407 3.466 20 30 CGEDMO COc1cc(C[N@@H+](CCC#N)CCC(C)C)cc(OC)c1 ZINC000093100855 370109534 /nfs/dbraw/zinc/10/95/34/370109534.db2.gz HGERNRNRORHWOL-UHFFFAOYSA-N 1 1 290.407 3.466 20 30 CGEDMO COc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)cc(OC)c1 ZINC000098142498 370266411 /nfs/dbraw/zinc/26/64/11/370266411.db2.gz YDJYRQPXOJMOIF-UHFFFAOYSA-N 1 1 296.370 3.207 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(OC)c(OC)cc1C ZINC000102669911 370307785 /nfs/dbraw/zinc/30/77/85/370307785.db2.gz MOWSEGGDDGTQAE-UHFFFAOYSA-N 1 1 263.381 3.410 20 30 CGEDMO CC(C)C[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)N(C)C ZINC000512619461 245043453 /nfs/dbraw/zinc/04/34/53/245043453.db2.gz MAWBYBZLJGWRHR-DZGCQCFKSA-N 1 1 291.414 3.324 20 30 CGEDMO C[N@@H+](CCCC(=O)OC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000113758801 370483722 /nfs/dbraw/zinc/48/37/22/370483722.db2.gz OBNCYXZKSKUGQF-UHFFFAOYSA-N 1 1 288.391 3.112 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000118391242 370613709 /nfs/dbraw/zinc/61/37/09/370613709.db2.gz DSGUNZKFSMUHMA-CYBMUJFWSA-N 1 1 294.354 3.480 20 30 CGEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000130518358 371039976 /nfs/dbraw/zinc/03/99/76/371039976.db2.gz JPCYCGGVHWLBLT-MRXNPFEDSA-N 1 1 298.365 3.374 20 30 CGEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000130518358 371039979 /nfs/dbraw/zinc/03/99/79/371039979.db2.gz JPCYCGGVHWLBLT-MRXNPFEDSA-N 1 1 298.365 3.374 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)s1 ZINC000131320978 371098505 /nfs/dbraw/zinc/09/85/05/371098505.db2.gz ZTISSZOEDKHDCO-KBPBESRZSA-N 1 1 278.446 3.480 20 30 CGEDMO C=CCC[N@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000132476956 371178031 /nfs/dbraw/zinc/17/80/31/371178031.db2.gz ZMXHOZURJMDQTN-QGZVFWFLSA-N 1 1 252.361 3.469 20 30 CGEDMO CCCC[N@H+](C)CC1CCN(Cc2ccc(C#N)o2)CC1 ZINC000134157961 371307283 /nfs/dbraw/zinc/30/72/83/371307283.db2.gz PLOMBDQPMOTKCQ-UHFFFAOYSA-N 1 1 289.423 3.095 20 30 CGEDMO CCCC[N@@H+](C)CC1CCN(Cc2ccc(C#N)o2)CC1 ZINC000134157961 371307289 /nfs/dbraw/zinc/30/72/89/371307289.db2.gz PLOMBDQPMOTKCQ-UHFFFAOYSA-N 1 1 289.423 3.095 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)[C@H](C)CO1 ZINC000135119855 371390956 /nfs/dbraw/zinc/39/09/56/371390956.db2.gz KYYMXVNNAHIQGZ-ZIAGYGMSSA-N 1 1 272.392 3.097 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@H](C)CO1 ZINC000135119855 371390961 /nfs/dbraw/zinc/39/09/61/371390961.db2.gz KYYMXVNNAHIQGZ-ZIAGYGMSSA-N 1 1 272.392 3.097 20 30 CGEDMO Cc1csc([C@@H](C)[NH2+]Cc2ccc(C#N)s2)n1 ZINC000135689482 371444406 /nfs/dbraw/zinc/44/44/06/371444406.db2.gz WHIWRBBKXXMTST-SECBINFHSA-N 1 1 263.391 3.236 20 30 CGEDMO COc1nc(C)cc(C)c1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000287289964 371635174 /nfs/dbraw/zinc/63/51/74/371635174.db2.gz MEORCNOQYBXROY-UHFFFAOYSA-N 1 1 295.386 3.211 20 30 CGEDMO COc1nc(C)cc(C)c1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000287289964 371635179 /nfs/dbraw/zinc/63/51/79/371635179.db2.gz MEORCNOQYBXROY-UHFFFAOYSA-N 1 1 295.386 3.211 20 30 CGEDMO C[C@@H]1C[C@H](Nc2cc(C#N)ccn2)C[N@H+]1Cc1ccccc1 ZINC000287981613 371721999 /nfs/dbraw/zinc/72/19/99/371721999.db2.gz UXHSTCCBFAMQHW-PBHICJAKSA-N 1 1 292.386 3.028 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000288725757 371743912 /nfs/dbraw/zinc/74/39/12/371743912.db2.gz GDNPLUBJZXMATB-KRWDZBQOSA-N 1 1 277.383 3.019 20 30 CGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)C[C@H]1CC=CCC1 ZINC000344067578 217035301 /nfs/dbraw/zinc/03/53/01/217035301.db2.gz PVSLAQJUVYBMDH-CABCVRRESA-N 1 1 297.402 3.173 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@](CO)(CCC)C2)c1 ZINC000290009721 371877695 /nfs/dbraw/zinc/87/76/95/371877695.db2.gz DNMKAPUFQZIYST-GOSISDBHSA-N 1 1 289.419 3.236 20 30 CGEDMO CCc1nnc(C[NH2+][C@@H](CC)c2ccc(C#N)cc2)s1 ZINC000290022863 371880718 /nfs/dbraw/zinc/88/07/18/371880718.db2.gz CLRKGUCCMNJQRP-ZDUSSCGKSA-N 1 1 286.404 3.213 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cnc([C@@H](C)O)s1 ZINC000290147045 371916730 /nfs/dbraw/zinc/91/67/30/371916730.db2.gz WIIKSRXVPBNCAD-GFCCVEGCSA-N 1 1 268.426 3.375 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000344095171 217047489 /nfs/dbraw/zinc/04/74/89/217047489.db2.gz LMYOCNNKMCNMLJ-OAHLLOKOSA-N 1 1 270.376 3.189 20 30 CGEDMO CC#CCC[N@H+](CC(=O)OC)[C@H](CC)c1ccccc1 ZINC000156776412 371995699 /nfs/dbraw/zinc/99/56/99/371995699.db2.gz AZJWGUGZGFEJNG-MRXNPFEDSA-N 1 1 273.376 3.026 20 30 CGEDMO CC#CCC[N@@H+](CC(=O)OC)[C@H](CC)c1ccccc1 ZINC000156776412 371995701 /nfs/dbraw/zinc/99/57/01/371995701.db2.gz AZJWGUGZGFEJNG-MRXNPFEDSA-N 1 1 273.376 3.026 20 30 CGEDMO CC(C)C(=O)CC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000290256219 371947806 /nfs/dbraw/zinc/94/78/06/371947806.db2.gz KFWLWVKONWZYDB-UHFFFAOYSA-N 1 1 270.376 3.138 20 30 CGEDMO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NCc2ccc(C#N)o2)C1 ZINC000344188943 217090076 /nfs/dbraw/zinc/09/00/76/217090076.db2.gz LYYVIPJNTTXPOW-GOEBONIOSA-N 1 1 295.386 3.076 20 30 CGEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NCc2ccc(C#N)o2)C1 ZINC000344188943 217090078 /nfs/dbraw/zinc/09/00/78/217090078.db2.gz LYYVIPJNTTXPOW-GOEBONIOSA-N 1 1 295.386 3.076 20 30 CGEDMO CC[C@@]1(C)CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000344214589 217103612 /nfs/dbraw/zinc/10/36/12/217103612.db2.gz BSIKMXUOZVQIPR-GUYCJALGSA-N 1 1 285.391 3.007 20 30 CGEDMO CC[N@@H+](CCc1nccs1)Cc1cc(C#N)ccc1F ZINC000159215853 372118095 /nfs/dbraw/zinc/11/80/95/372118095.db2.gz FCZWWRVNIKZPLX-UHFFFAOYSA-N 1 1 289.379 3.218 20 30 CGEDMO CC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)CC(C)(C)C ZINC000291282843 372153021 /nfs/dbraw/zinc/15/30/21/372153021.db2.gz QNRVBDQHLTUSSV-UHFFFAOYSA-N 1 1 291.395 3.075 20 30 CGEDMO COCC(C)(C)C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000426421877 372157330 /nfs/dbraw/zinc/15/73/30/372157330.db2.gz UCRHCVUZZNPQJY-IRXDYDNUSA-N 1 1 286.419 3.431 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)CC(C)(C)COC ZINC000426421625 372158196 /nfs/dbraw/zinc/15/81/96/372158196.db2.gz QWPZPSZRKGLWQW-UHFFFAOYSA-N 1 1 277.408 3.356 20 30 CGEDMO CO[C@H](C)C[N@@H+](CC#Cc1ccc(Cl)cc1)C(C)C ZINC000426519729 372161044 /nfs/dbraw/zinc/16/10/44/372161044.db2.gz CFFBXCUIAXQNMD-CQSZACIVSA-N 1 1 279.811 3.437 20 30 CGEDMO C=CC[C@@H](C(=O)NCC[N@@H+]1CC=C(C)CC1)c1ccccc1 ZINC000427953616 372176660 /nfs/dbraw/zinc/17/66/60/372176660.db2.gz YZQJIQRIFCMGAR-GOSISDBHSA-N 1 1 298.430 3.115 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@](CC)(CO)C1 ZINC000428448601 372205514 /nfs/dbraw/zinc/20/55/14/372205514.db2.gz QIWJWPOSJNHERM-SFHVURJKSA-N 1 1 289.419 3.236 20 30 CGEDMO C[C@H]1C[C@H](Nc2ccc(C#N)nc2)C[N@H+]1Cc1ccccc1 ZINC000160946875 372290512 /nfs/dbraw/zinc/29/05/12/372290512.db2.gz CDJFPKIOTQYESY-KSSFIOAISA-N 1 1 292.386 3.028 20 30 CGEDMO CC[C@@H](C)C[N@@H+](CC)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000160558136 372258262 /nfs/dbraw/zinc/25/82/62/372258262.db2.gz ZTPAELSCTXSEBG-CABCVRRESA-N 1 1 293.455 3.086 20 30 CGEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](CCCC3CCCC3)C2)nc1 ZINC000428799779 372264019 /nfs/dbraw/zinc/26/40/19/372264019.db2.gz BLMRDSGWAWMYNC-QGZVFWFLSA-N 1 1 299.418 3.377 20 30 CGEDMO C[C@H]1C[C@@H]1[N@H+]1CCN(CCCCC(C)(C)C#N)C[C@@H](C)C1 ZINC000429004309 372301299 /nfs/dbraw/zinc/30/12/99/372301299.db2.gz FFICYXZPQKIIBN-IKGGRYGDSA-N 1 1 291.483 3.369 20 30 CGEDMO C[C@H]1C[C@@H]1N1CC[N@H+](CCCCC(C)(C)C#N)C[C@@H](C)C1 ZINC000429004309 372301306 /nfs/dbraw/zinc/30/13/06/372301306.db2.gz FFICYXZPQKIIBN-IKGGRYGDSA-N 1 1 291.483 3.369 20 30 CGEDMO C[C@H]1C[C@@H]1N1CC[N@@H+](CCCCC(C)(C)C#N)C[C@@H](C)C1 ZINC000429004309 372301316 /nfs/dbraw/zinc/30/13/16/372301316.db2.gz FFICYXZPQKIIBN-IKGGRYGDSA-N 1 1 291.483 3.369 20 30 CGEDMO CC1(C)C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)[C@@H]2CCC[C@@H]21 ZINC000292990045 372271254 /nfs/dbraw/zinc/27/12/54/372271254.db2.gz ICRCETUMSVIOCB-BBWFWOEESA-N 1 1 284.403 3.102 20 30 CGEDMO CSC[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000429274048 372333409 /nfs/dbraw/zinc/33/34/09/372333409.db2.gz HWLFEAMYWHSAIE-GFCCVEGCSA-N 1 1 278.396 3.272 20 30 CGEDMO CSC[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000429274048 372333414 /nfs/dbraw/zinc/33/34/14/372333414.db2.gz HWLFEAMYWHSAIE-GFCCVEGCSA-N 1 1 278.396 3.272 20 30 CGEDMO C[C@H](CO)[N@@H+](CC#Cc1ccc(Cl)cc1)C1CCCC1 ZINC000429623212 372375292 /nfs/dbraw/zinc/37/52/92/372375292.db2.gz HVEUEDGKXATDJG-CQSZACIVSA-N 1 1 291.822 3.317 20 30 CGEDMO N#C[C@@H]1CC[C@@H](N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000429689023 372375611 /nfs/dbraw/zinc/37/56/11/372375611.db2.gz CVBLFZUHYMPSCW-KZNAEPCWSA-N 1 1 289.467 3.267 20 30 CGEDMO CCc1noc(C)c1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000162760088 372418028 /nfs/dbraw/zinc/41/80/28/372418028.db2.gz ZUSDGMVBNFWFHH-UHFFFAOYSA-N 1 1 269.348 3.049 20 30 CGEDMO CCc1noc(C)c1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000162760088 372418030 /nfs/dbraw/zinc/41/80/30/372418030.db2.gz ZUSDGMVBNFWFHH-UHFFFAOYSA-N 1 1 269.348 3.049 20 30 CGEDMO CC[C@H]1CCCC[N@H+]1CCNCc1ccc(C#N)cc1F ZINC000344407336 217184187 /nfs/dbraw/zinc/18/41/87/217184187.db2.gz KITRBHJPLTWJKX-INIZCTEOSA-N 1 1 289.398 3.051 20 30 CGEDMO CC[C@H]1CCCCN1CC[NH2+]Cc1ccc(C#N)cc1F ZINC000344407336 217184190 /nfs/dbraw/zinc/18/41/90/217184190.db2.gz KITRBHJPLTWJKX-INIZCTEOSA-N 1 1 289.398 3.051 20 30 CGEDMO C=CCC(C)(C)CNC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000432072493 372533276 /nfs/dbraw/zinc/53/32/76/372533276.db2.gz SLTJIKNSCVVFRJ-LSDHHAIUSA-N 1 1 295.471 3.151 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)c1cc(C(=O)OC)c(C)o1 ZINC000432941666 372576544 /nfs/dbraw/zinc/57/65/44/372576544.db2.gz XAOSKTIWLZSGQZ-NSHDSACASA-N 1 1 265.353 3.334 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@H](c2ccc(CC)cc2)C1 ZINC000433054419 372580583 /nfs/dbraw/zinc/58/05/83/372580583.db2.gz SROLQNXZPXUIER-ROUUACIJSA-N 1 1 273.420 3.365 20 30 CGEDMO COc1ccc2ccccc2c1C[NH2+]CC(C)(C)C#N ZINC000168934321 372623984 /nfs/dbraw/zinc/62/39/84/372623984.db2.gz XDTRENHRVQCKNS-UHFFFAOYSA-N 1 1 268.360 3.488 20 30 CGEDMO CO[C@@H]1CC[N@H+]([C@H](C)c2ccc(C#N)cc2)CC1(C)C ZINC000295150971 372696962 /nfs/dbraw/zinc/69/69/62/372696962.db2.gz AGKOVWLMWGCGKI-CZUORRHYSA-N 1 1 272.392 3.366 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)CC1CCC(=O)CC1 ZINC000295023892 372686955 /nfs/dbraw/zinc/68/69/55/372686955.db2.gz QXVRIMZAXMJZLY-UHFFFAOYSA-N 1 1 261.365 3.069 20 30 CGEDMO Cc1ccnc(NC[C@@H]2CCC[N@H+]2C2CCCCC2)c1C#N ZINC000435599708 372781938 /nfs/dbraw/zinc/78/19/38/372781938.db2.gz YEPBVDGHCJWTRD-INIZCTEOSA-N 1 1 298.434 3.471 20 30 CGEDMO CC(C)[C@H]1CN(C)CC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000436481594 372835410 /nfs/dbraw/zinc/83/54/10/372835410.db2.gz CTCBFSKUNFDDEF-GOSISDBHSA-N 1 1 299.462 3.260 20 30 CGEDMO CC(C)[C@H]1C[N@H+](C)CCN1Cc1ccccc1C(C)(C)C#N ZINC000436481594 372835415 /nfs/dbraw/zinc/83/54/15/372835415.db2.gz CTCBFSKUNFDDEF-GOSISDBHSA-N 1 1 299.462 3.260 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](C)CCN1Cc1ccccc1C(C)(C)C#N ZINC000436481594 372835421 /nfs/dbraw/zinc/83/54/21/372835421.db2.gz CTCBFSKUNFDDEF-GOSISDBHSA-N 1 1 299.462 3.260 20 30 CGEDMO C=CC[N@H+](CC[C@H]1CCOC1)Cc1cccc([N+](=O)[O-])c1 ZINC000437691721 372855597 /nfs/dbraw/zinc/85/55/97/372855597.db2.gz ZFMSOADSQMOCRQ-AWEZNQCLSA-N 1 1 290.363 3.009 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC[C@H]1CCOC1 ZINC000438123800 372892859 /nfs/dbraw/zinc/89/28/59/372892859.db2.gz TYZDYCZUSRZAQU-JQHSSLGASA-N 1 1 284.403 3.185 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000438175076 372904095 /nfs/dbraw/zinc/90/40/95/372904095.db2.gz OFNVZVYYTXYVSL-RDJZCZTQSA-N 1 1 257.352 3.442 20 30 CGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H](C)[C@H]1C ZINC000172863135 373051141 /nfs/dbraw/zinc/05/11/41/373051141.db2.gz BHYRUMKEZZNFPY-ZIAGYGMSSA-N 1 1 288.391 3.066 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000442690095 373065155 /nfs/dbraw/zinc/06/51/55/373065155.db2.gz VKAQRYUFQZZWEY-YJBOKZPZSA-N 1 1 297.446 3.283 20 30 CGEDMO C[N@@H+](CCc1cccc(N[C@@H]2CC[C@H](C#N)C2)c1)C1CC1 ZINC000442815165 373093682 /nfs/dbraw/zinc/09/36/82/373093682.db2.gz CEJCWTQBGXVHMQ-DOTOQJQBSA-N 1 1 283.419 3.427 20 30 CGEDMO COc1cc(C[N@H+]2C[C@H](C)CC(C)(C)C2)ccc1C#N ZINC000442838479 373100467 /nfs/dbraw/zinc/10/04/67/373100467.db2.gz SUQHXQXJQWUWRY-CYBMUJFWSA-N 1 1 272.392 3.435 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2cn3ccccc3c2C#N)CC1(C)C ZINC000296254256 373070125 /nfs/dbraw/zinc/07/01/25/373070125.db2.gz YBBSDNUVKVFIMU-QGZVFWFLSA-N 1 1 297.402 3.058 20 30 CGEDMO COc1cc(C[N@H+]2CC[C@@H](C)C[C@H](C)C2)ccc1C#N ZINC000442882580 373116142 /nfs/dbraw/zinc/11/61/42/373116142.db2.gz DXIDJFCUPXMBJL-KGLIPLIRSA-N 1 1 272.392 3.435 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCO[C@@](C)(CC)C2)cc1 ZINC000443864632 373163320 /nfs/dbraw/zinc/16/33/20/373163320.db2.gz UKYOWHRKTKIPHY-KRWDZBQOSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCO[C@@](C)(CC)C2)cc1 ZINC000443864632 373163324 /nfs/dbraw/zinc/16/33/24/373163324.db2.gz UKYOWHRKTKIPHY-KRWDZBQOSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCO[C@@](C)(CC)C1 ZINC000443863293 373163603 /nfs/dbraw/zinc/16/36/03/373163603.db2.gz QRAQFOCZRJOUDK-KRWDZBQOSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCO[C@@](C)(CC)C1 ZINC000443863293 373163610 /nfs/dbraw/zinc/16/36/10/373163610.db2.gz QRAQFOCZRJOUDK-KRWDZBQOSA-N 1 1 275.392 3.252 20 30 CGEDMO COc1cc(C[N@H+]2CC[C@@H]2Cc2ccccc2)ccc1C#N ZINC000442883932 373119768 /nfs/dbraw/zinc/11/97/68/373119768.db2.gz IMEIOSQHFBVIGJ-GOSISDBHSA-N 1 1 292.382 3.384 20 30 CGEDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CCCCC(C)(C)C#N ZINC000444684224 373235173 /nfs/dbraw/zinc/23/51/73/373235173.db2.gz IVFCSTJOFJIXAM-ILXRZTDVSA-N 1 1 266.429 3.188 20 30 CGEDMO CCC1(CC)C[N@@H+](CCCCC(C)(C)C#N)CC[S@]1=O ZINC000444688113 373236348 /nfs/dbraw/zinc/23/63/48/373236348.db2.gz IKRSRJPNZXAUSV-HXUWFJFHSA-N 1 1 298.496 3.330 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H](C(C)C)C1 ZINC000444751975 373258854 /nfs/dbraw/zinc/25/88/54/373258854.db2.gz RGPFAJIJQTXMRO-OAHLLOKOSA-N 1 1 272.392 3.435 20 30 CGEDMO Cc1cccnc1[C@H]([NH2+]Cc1ccc(C#N)o1)C(C)C ZINC000174399062 373308637 /nfs/dbraw/zinc/30/86/37/373308637.db2.gz ZXGGWBGEIRREFG-OAHLLOKOSA-N 1 1 269.348 3.342 20 30 CGEDMO C=CCCC[N@@H+](C)Cc1csc([C@H](C)OC)n1 ZINC000175247559 373438079 /nfs/dbraw/zinc/43/80/79/373438079.db2.gz CIHBOWGCPKEGNY-NSHDSACASA-N 1 1 254.399 3.249 20 30 CGEDMO C=CCCC[N@H+](C)Cc1csc([C@H](C)OC)n1 ZINC000175247559 373438095 /nfs/dbraw/zinc/43/80/95/373438095.db2.gz CIHBOWGCPKEGNY-NSHDSACASA-N 1 1 254.399 3.249 20 30 CGEDMO CC[C@@H]([NH2+]Cc1cscn1)c1ccc(C#N)cc1 ZINC000447564582 373453679 /nfs/dbraw/zinc/45/36/79/373453679.db2.gz XXJHWHZTYRQZDI-CQSZACIVSA-N 1 1 257.362 3.256 20 30 CGEDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1Cl ZINC000447836338 373505506 /nfs/dbraw/zinc/50/55/06/373505506.db2.gz WZQYRNQQXCIXOA-ZBFHGGJFSA-N 1 1 291.822 3.317 20 30 CGEDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000447837561 373506438 /nfs/dbraw/zinc/50/64/38/373506438.db2.gz VPVCWHRNNXNTPF-PBHICJAKSA-N 1 1 291.822 3.317 20 30 CGEDMO C=CCC1(C(=O)N2CCC[N@H+](C(C)C)CC2)CCCCC1 ZINC000448892381 373648438 /nfs/dbraw/zinc/64/84/38/373648438.db2.gz BKZJQDWKAYJQBZ-UHFFFAOYSA-N 1 1 292.467 3.456 20 30 CGEDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)Nc1cccc(F)c1C#N ZINC000301137622 373673819 /nfs/dbraw/zinc/67/38/19/373673819.db2.gz CVRHXZBAWLUCJI-STQMWFEESA-N 1 1 275.371 3.230 20 30 CGEDMO N#Cc1c(F)cccc1N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000301169806 373681458 /nfs/dbraw/zinc/68/14/58/373681458.db2.gz DHXCJNZKMRMNHN-GFCCVEGCSA-N 1 1 273.355 3.126 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000449457218 373739779 /nfs/dbraw/zinc/73/97/79/373739779.db2.gz UGKPZCGKMPOSDA-ARFHVFGLSA-N 1 1 290.432 3.135 20 30 CGEDMO C[C@@H](C1CC1)[N@@H+](CC#Cc1ccc(F)cc1)C1CC1 ZINC000178914032 373817222 /nfs/dbraw/zinc/81/72/22/373817222.db2.gz RZFRCESLCAEWGP-ZDUSSCGKSA-N 1 1 257.352 3.440 20 30 CGEDMO Cc1cc(N(C)CCC#N)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301723903 373800547 /nfs/dbraw/zinc/80/05/47/373800547.db2.gz LGPLZRSTFKNWOG-UHFFFAOYSA-N 1 1 291.301 3.495 20 30 CGEDMO C=C(C)C[N@H+](CC)CCOc1ccc(OCC)cc1 ZINC000302749425 373950496 /nfs/dbraw/zinc/95/04/96/373950496.db2.gz UXEMKUWCWZLJED-UHFFFAOYSA-N 1 1 263.381 3.362 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@@H+](C)C2CCCC2)cc1 ZINC000179798487 373920599 /nfs/dbraw/zinc/92/05/99/373920599.db2.gz MJEZLEXMGLUQKQ-UHFFFAOYSA-N 1 1 271.408 3.411 20 30 CGEDMO C=CCC1(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC000449987079 373980811 /nfs/dbraw/zinc/98/08/11/373980811.db2.gz PRKDGAGGQVVNOG-HOTGVXAUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000181106964 374081152 /nfs/dbraw/zinc/08/11/52/374081152.db2.gz YJGXXNZVJQYKDX-OWCLPIDISA-N 1 1 295.471 3.103 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)[C@H]2CCCC[C@H]12 ZINC000180763422 374042100 /nfs/dbraw/zinc/04/21/00/374042100.db2.gz OFLHHHPWVLMWEZ-XYPHTWIQSA-N 1 1 294.402 3.216 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(OC)c(OCCCC#N)c1 ZINC000181042874 374071779 /nfs/dbraw/zinc/07/17/79/374071779.db2.gz KXEURCKSOYJAED-UHFFFAOYSA-N 1 1 288.391 3.386 20 30 CGEDMO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1cccc(O)c1 ZINC000181484774 374131454 /nfs/dbraw/zinc/13/14/54/374131454.db2.gz KBHALZFODKQVHI-NSHDSACASA-N 1 1 270.307 3.254 20 30 CGEDMO Cc1[nH+]cn(Cc2ccc(Br)cc2C#N)c1C ZINC000310064263 374208805 /nfs/dbraw/zinc/20/88/05/374208805.db2.gz AQKUHHTVPFCRIH-UHFFFAOYSA-N 1 1 290.164 3.182 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)C[C@H](O)CCc1ccccc1 ZINC000182437071 374271497 /nfs/dbraw/zinc/27/14/97/374271497.db2.gz ACXLOTWVILMWNV-GOSISDBHSA-N 1 1 288.435 3.242 20 30 CGEDMO CCC1(CC)CC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000316655693 374334304 /nfs/dbraw/zinc/33/43/04/374334304.db2.gz DWLNQIIGGRVKQI-CQSZACIVSA-N 1 1 299.418 3.397 20 30 CGEDMO Cc1cccc(C[N@@H+](C)CCCOc2cccc(C#N)c2)n1 ZINC000316647096 374334469 /nfs/dbraw/zinc/33/44/69/374334469.db2.gz WGHIEYFPNCXMMR-UHFFFAOYSA-N 1 1 295.386 3.163 20 30 CGEDMO C[C@@H]1Cc2c([nH+]cn2CCOc2cccc(C#N)c2)C[C@@H]1C ZINC000319764323 374347456 /nfs/dbraw/zinc/34/74/56/374347456.db2.gz NXHAGJVPWRFGHD-UONOGXRCSA-N 1 1 295.386 3.205 20 30 CGEDMO CC1=CC[N@H+](CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000328852178 374387593 /nfs/dbraw/zinc/38/75/93/374387593.db2.gz ISDQIDDACNKSIU-UONOGXRCSA-N 1 1 293.411 3.088 20 30 CGEDMO CC1=CC[N@@H+](CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000328852178 374387600 /nfs/dbraw/zinc/38/76/00/374387600.db2.gz ISDQIDDACNKSIU-UONOGXRCSA-N 1 1 293.411 3.088 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@@H+](C)Cc2ccncc2)cc1 ZINC000183746609 374448120 /nfs/dbraw/zinc/44/81/20/374448120.db2.gz JKZWYTZUSXPPLN-UHFFFAOYSA-N 1 1 294.402 3.063 20 30 CGEDMO CCn1ccnc1[C@H](C)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000453373136 374460025 /nfs/dbraw/zinc/46/00/25/374460025.db2.gz WSYKGTFJJLACGU-LRDDRELGSA-N 1 1 280.375 3.113 20 30 CGEDMO C[C@@H](CCN[C@@H](C)c1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000184507567 374531609 /nfs/dbraw/zinc/53/16/09/374531609.db2.gz YRXNXKJCNODMMK-HOTGVXAUSA-N 1 1 285.435 3.473 20 30 CGEDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000185596109 374695675 /nfs/dbraw/zinc/69/56/75/374695675.db2.gz JYLGKUUNGLJDCE-IUODEOHRSA-N 1 1 258.365 3.187 20 30 CGEDMO CC[C@@]1(C)CCC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000464781890 374899159 /nfs/dbraw/zinc/89/91/59/374899159.db2.gz WPDLFAZPLXVUKY-KRWDZBQOSA-N 1 1 272.392 3.449 20 30 CGEDMO C=CCCC[N@@H+]1CCSC[C@@H]1c1nccs1 ZINC000187060083 374963862 /nfs/dbraw/zinc/96/38/62/374963862.db2.gz WJISAAHXWHMJDJ-LLVKDONJSA-N 1 1 254.424 3.199 20 30 CGEDMO C=CCCC[N@H+]1CCSC[C@@H]1c1nccs1 ZINC000187060083 374963869 /nfs/dbraw/zinc/96/38/69/374963869.db2.gz WJISAAHXWHMJDJ-LLVKDONJSA-N 1 1 254.424 3.199 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@@H]1CC(C)C ZINC000466668912 374968244 /nfs/dbraw/zinc/96/82/44/374968244.db2.gz ZRTRAZMRQUCHMD-MRXNPFEDSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(C(=O)OC(C)C)cc1 ZINC000467303789 374974581 /nfs/dbraw/zinc/97/45/81/374974581.db2.gz FZSTXRUPSZBNKS-UHFFFAOYSA-N 1 1 261.365 3.260 20 30 CGEDMO CO[C@@]1(C)CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000470916178 375000199 /nfs/dbraw/zinc/00/01/99/375000199.db2.gz HHMNYYNPKGNACA-INIZCTEOSA-N 1 1 277.795 3.192 20 30 CGEDMO COc1cc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)ccc1O ZINC000187368248 375010899 /nfs/dbraw/zinc/01/08/99/375010899.db2.gz ICPIOWJFRFILOZ-ZDUSSCGKSA-N 1 1 296.370 3.465 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000472777916 375033747 /nfs/dbraw/zinc/03/37/47/375033747.db2.gz VBACEGQLDHNFFX-HOTGVXAUSA-N 1 1 251.414 3.358 20 30 CGEDMO COC[C@@H]1CCCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000467120948 374971934 /nfs/dbraw/zinc/97/19/34/374971934.db2.gz RUNUYQQCCDMUDD-OAHLLOKOSA-N 1 1 291.822 3.440 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000474234587 375089363 /nfs/dbraw/zinc/08/93/63/375089363.db2.gz TXXBOGNNDANULJ-NVXWUHKLSA-N 1 1 280.456 3.215 20 30 CGEDMO Cc1ccc2c(c1)nc(C[NH2+]Cc1ccc(C#N)s1)n2C ZINC000187574114 375045220 /nfs/dbraw/zinc/04/52/20/375045220.db2.gz BGSWYRMRJOLVCR-UHFFFAOYSA-N 1 1 296.399 3.105 20 30 CGEDMO CC[C@@H](CO)[N@@H+](CC#Cc1ccccc1)Cc1ccccc1 ZINC000483712847 375183383 /nfs/dbraw/zinc/18/33/83/375183383.db2.gz RDQFUMMDEBASQX-FQEVSTJZSA-N 1 1 293.410 3.311 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000483342072 375179817 /nfs/dbraw/zinc/17/98/17/375179817.db2.gz BVKAHZPSCAEOOK-RDJZCZTQSA-N 1 1 281.440 3.391 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cccc(O)c1 ZINC000487431139 375242009 /nfs/dbraw/zinc/24/20/09/375242009.db2.gz MQBYRVWVSUBJDC-CYBMUJFWSA-N 1 1 266.344 3.457 20 30 CGEDMO C=CC[N@H+](CCOC)[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000484581201 375188864 /nfs/dbraw/zinc/18/88/64/375188864.db2.gz GCKWMVQVEHPZPV-LBPRGKRZSA-N 1 1 285.334 3.483 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2C[C@@H](C)C[C@H]2C)c1C ZINC000485129543 375190950 /nfs/dbraw/zinc/19/09/50/375190950.db2.gz ZXPJHBMERNJLGV-QWHCGFSZSA-N 1 1 274.408 3.204 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000487874978 375279512 /nfs/dbraw/zinc/27/95/12/375279512.db2.gz FPFDSHDKAJZJBU-MRXNPFEDSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCCCCC[N@H+]1CCc2ccccc2[C@H]1CO ZINC000488123724 375305099 /nfs/dbraw/zinc/30/50/99/375305099.db2.gz JKDAABPERUSGGW-QGZVFWFLSA-N 1 1 259.393 3.325 20 30 CGEDMO C#CC[N@H+](CC)Cc1cccc(-c2ccncc2)c1 ZINC000490877462 375323656 /nfs/dbraw/zinc/32/36/56/375323656.db2.gz YCMFUCXBNZERGN-UHFFFAOYSA-N 1 1 250.345 3.204 20 30 CGEDMO C=CCN1CCC([NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000189325673 375367321 /nfs/dbraw/zinc/36/73/21/375367321.db2.gz FQEPFZCQJLMUHF-UHFFFAOYSA-N 1 1 282.790 3.219 20 30 CGEDMO C=CCC[C@@H](C(=O)N[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000495124611 375497737 /nfs/dbraw/zinc/49/77/37/375497737.db2.gz WVVUWYTWQOMLNA-FUHWJXTLSA-N 1 1 298.430 3.089 20 30 CGEDMO C[C@@H]1CC[C@](CO)([N@@H+](C)CC#Cc2ccc(Cl)cc2)C1 ZINC000495247360 375499338 /nfs/dbraw/zinc/49/93/38/375499338.db2.gz NDPZFKWGBOLRFJ-PBHICJAKSA-N 1 1 291.822 3.174 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000495746572 375501868 /nfs/dbraw/zinc/50/18/68/375501868.db2.gz MXPDPUXRWNWRFZ-KBPBESRZSA-N 1 1 282.428 3.188 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](CC)Cc1c[nH]c2ccccc12 ZINC000190495378 375516293 /nfs/dbraw/zinc/51/62/93/375516293.db2.gz HNSQGHCKVUZJKV-OAHLLOKOSA-N 1 1 272.392 3.317 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496256172 375522842 /nfs/dbraw/zinc/52/28/42/375522842.db2.gz RZIJCDOEILZNFR-LBPRGKRZSA-N 1 1 294.782 3.389 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496256172 375522849 /nfs/dbraw/zinc/52/28/49/375522849.db2.gz RZIJCDOEILZNFR-LBPRGKRZSA-N 1 1 294.782 3.389 20 30 CGEDMO CN(CCC[N@@H+](C)CCC(C)(C)C#N)C(=O)OC(C)(C)C ZINC000496938865 375567860 /nfs/dbraw/zinc/56/78/60/375567860.db2.gz BGLVNMHNLAJADJ-UHFFFAOYSA-N 1 1 297.443 3.115 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000497024317 375573190 /nfs/dbraw/zinc/57/31/90/375573190.db2.gz BLQSRRYUSPYTDH-AWEZNQCLSA-N 1 1 282.428 3.189 20 30 CGEDMO CC[N@H+]1C[C@H](C)N(CC#Cc2ccc(Cl)cc2)C[C@H]1C ZINC000498918032 375629030 /nfs/dbraw/zinc/62/90/30/375629030.db2.gz ZTYZGTUELOHGTG-CABCVRRESA-N 1 1 290.838 3.106 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)Cc1ccc(N(C)C)nc1 ZINC000119946990 542008379 /nfs/dbraw/zinc/00/83/79/542008379.db2.gz UCLVDMSRCHJRKU-UHFFFAOYSA-N 1 1 287.432 3.397 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc(N(C)C)nc1 ZINC000119946990 542008384 /nfs/dbraw/zinc/00/83/84/542008384.db2.gz UCLVDMSRCHJRKU-UHFFFAOYSA-N 1 1 287.432 3.397 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CCS1 ZINC000192049080 375693776 /nfs/dbraw/zinc/69/37/76/375693776.db2.gz DORUHELWYXXNLT-HNNXBMFYSA-N 1 1 278.396 3.271 20 30 CGEDMO C[C@H]1[N@@H+](Cc2cccc(F)c2C#N)CCC12CCOCC2 ZINC000336115496 375696839 /nfs/dbraw/zinc/69/68/39/375696839.db2.gz IQBJECIXQBGTOS-CYBMUJFWSA-N 1 1 288.366 3.088 20 30 CGEDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000124218985 542031560 /nfs/dbraw/zinc/03/15/60/542031560.db2.gz ALFZFJVTYZHXFC-YOEHRIQHSA-N 1 1 272.392 3.074 20 30 CGEDMO Cc1ccc2nc(C[NH2+][C@H]3CCC[C@@H](C#N)C3)[nH]c2c1 ZINC000336251899 375764429 /nfs/dbraw/zinc/76/44/29/375764429.db2.gz KSKDQTCENSJZEP-OLZOCXBDSA-N 1 1 268.364 3.043 20 30 CGEDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000192623987 375773254 /nfs/dbraw/zinc/77/32/54/375773254.db2.gz HSLPVUIMQBWNMP-YPMHNXCESA-N 1 1 291.420 3.069 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000336495264 375800091 /nfs/dbraw/zinc/80/00/91/375800091.db2.gz WCNVXYPLTOHLDH-FZMZJTMJSA-N 1 1 298.308 3.008 20 30 CGEDMO N#C[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000192921436 375803436 /nfs/dbraw/zinc/80/34/36/375803436.db2.gz XDRZAEUUUQXAQX-GBESFXJTSA-N 1 1 297.446 3.180 20 30 CGEDMO C=CCSc1ccccc1NC(=O)Cn1cc[nH+]c1C ZINC000193029608 375817483 /nfs/dbraw/zinc/81/74/83/375817483.db2.gz GBOFBNFCFRJQKT-UHFFFAOYSA-N 1 1 287.388 3.108 20 30 CGEDMO C=CCCC[NH2+]C1(C(=O)OC(C)(C)C)CCCC1 ZINC000532707348 375952557 /nfs/dbraw/zinc/95/25/57/375952557.db2.gz YQLXEOMLCMRKAW-UHFFFAOYSA-N 1 1 253.386 3.197 20 30 CGEDMO Cc1ccc(C)c(OCC[N@@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000532818200 375953997 /nfs/dbraw/zinc/95/39/97/375953997.db2.gz MVWXTZBDVIAFLL-CQSZACIVSA-N 1 1 272.392 3.306 20 30 CGEDMO Cc1ccc(C)c(OCC[N@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000532818200 375954005 /nfs/dbraw/zinc/95/40/05/375954005.db2.gz MVWXTZBDVIAFLL-CQSZACIVSA-N 1 1 272.392 3.306 20 30 CGEDMO Cn1c2ccccc2nc1[C@H]1CCCC[N@@H+]1CCCC#N ZINC000533387771 375955316 /nfs/dbraw/zinc/95/53/16/375955316.db2.gz RGLOFLSAASMAEZ-MRXNPFEDSA-N 1 1 282.391 3.404 20 30 CGEDMO Cn1c2ccccc2nc1[C@H]1CCCC[N@H+]1CCCC#N ZINC000533387771 375955322 /nfs/dbraw/zinc/95/53/22/375955322.db2.gz RGLOFLSAASMAEZ-MRXNPFEDSA-N 1 1 282.391 3.404 20 30 CGEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCOC1 ZINC000336822962 375979832 /nfs/dbraw/zinc/97/98/32/375979832.db2.gz NPFHUEUIHBBPBX-QGZVFWFLSA-N 1 1 272.392 3.195 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CCC(F)(F)C1 ZINC000336797326 375944714 /nfs/dbraw/zinc/94/47/14/375944714.db2.gz LVSMCCJSQLTKGJ-CQSZACIVSA-N 1 1 264.319 3.425 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000532080340 375948082 /nfs/dbraw/zinc/94/80/82/375948082.db2.gz XGFQVQGBKLSIIS-UHFFFAOYSA-N 1 1 278.440 3.088 20 30 CGEDMO C[C@@H](C1CC1)[N@@H+](CCCC1(C#N)CCOCC1)C1CC1 ZINC000337135282 376092488 /nfs/dbraw/zinc/09/24/88/376092488.db2.gz MDXAALPHDGVADQ-AWEZNQCLSA-N 1 1 276.424 3.350 20 30 CGEDMO C=CCN(CC=C)[C@H](C[NH2+][C@@H](C)c1cscn1)C(C)C ZINC000535779651 376058340 /nfs/dbraw/zinc/05/83/40/376058340.db2.gz OWRDIDRHZNUKKZ-GOEBONIOSA-N 1 1 293.480 3.492 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1nc2ccccc2n1CC ZINC000535775502 376058402 /nfs/dbraw/zinc/05/84/02/376058402.db2.gz SWMOJSGFLYULGH-UHFFFAOYSA-N 1 1 257.381 3.454 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1nc2ccccc2n1CC ZINC000535775502 376058404 /nfs/dbraw/zinc/05/84/04/376058404.db2.gz SWMOJSGFLYULGH-UHFFFAOYSA-N 1 1 257.381 3.454 20 30 CGEDMO C=CC[C@H](CC)NC(=O)[C@H]1CCc2[nH]c(C(C)C)nc2C1 ZINC000337080824 376074057 /nfs/dbraw/zinc/07/40/57/376074057.db2.gz XQFUEGJZJQXAGJ-STQMWFEESA-N 1 1 289.423 3.109 20 30 CGEDMO C=CC[N@H+](C[C@H](O)COc1c(C)ccc(C)c1C)C1CC1 ZINC000536742691 376128986 /nfs/dbraw/zinc/12/89/86/376128986.db2.gz WJTZRDROLRXQNR-KRWDZBQOSA-N 1 1 289.419 3.002 20 30 CGEDMO C=CC[C@H](CC)NC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000537465615 376170180 /nfs/dbraw/zinc/17/01/80/376170180.db2.gz NGROXKPUVBXXAP-HNNXBMFYSA-N 1 1 295.471 3.295 20 30 CGEDMO C[N@H+](CCCCC(C)(C)C#N)CCCN1CCCC1 ZINC000337275472 376185693 /nfs/dbraw/zinc/18/56/93/376185693.db2.gz QJXVMTWFNUSSMU-UHFFFAOYSA-N 1 1 265.445 3.124 20 30 CGEDMO C[N@@H+](CCCCC(C)(C)C#N)CCCN1CCCC1 ZINC000337275472 376185698 /nfs/dbraw/zinc/18/56/98/376185698.db2.gz QJXVMTWFNUSSMU-UHFFFAOYSA-N 1 1 265.445 3.124 20 30 CGEDMO C=CC[N@H+](Cc1ccnn1CC)CC1CCCCC1 ZINC000537627374 376185838 /nfs/dbraw/zinc/18/58/38/376185838.db2.gz UQVWVRHFSLKGGK-UHFFFAOYSA-N 1 1 261.413 3.471 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CCCC2(C#N)CCOCC2)[C@H]1C ZINC000337188553 376125372 /nfs/dbraw/zinc/12/53/72/376125372.db2.gz QIFVOUACXNXSSZ-CABCVRRESA-N 1 1 264.413 3.207 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+]1CCN(CCOC)[C@@H](CCC)C1 ZINC000538142401 376222979 /nfs/dbraw/zinc/22/29/79/376222979.db2.gz AGQDKOPVUWTFMB-IRXDYDNUSA-N 1 1 282.472 3.164 20 30 CGEDMO C=CCCc1ccccc1NC(=O)NCC[N@@H+]1CC=CCC1 ZINC000337609210 376231435 /nfs/dbraw/zinc/23/14/35/376231435.db2.gz SPULLTSZOSVSOX-UHFFFAOYSA-N 1 1 299.418 3.189 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000539248643 376299913 /nfs/dbraw/zinc/29/99/13/376299913.db2.gz XMWHOLGMJZITRS-QWHCGFSZSA-N 1 1 278.362 3.300 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C)CCCc1ccccc1Br ZINC000541347774 376441684 /nfs/dbraw/zinc/44/16/84/376441684.db2.gz OVHFTFKJJSIBIO-GFCCVEGCSA-N 1 1 295.224 3.473 20 30 CGEDMO CC(=O)c1ccc(C#N)c(N2CCC[N@H+](C(C)(C)C)CC2)c1 ZINC000541578088 376459449 /nfs/dbraw/zinc/45/94/49/376459449.db2.gz IOYXWRDDEQSJQT-UHFFFAOYSA-N 1 1 299.418 3.071 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCO[C@H](C3CCCCC3)C2)cc1 ZINC000542648004 376563795 /nfs/dbraw/zinc/56/37/95/376563795.db2.gz GVMIDGWCKZRXQA-SFHVURJKSA-N 1 1 284.403 3.339 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCO[C@H](C3CCCCC3)C2)cc1 ZINC000542648004 376563802 /nfs/dbraw/zinc/56/38/02/376563802.db2.gz GVMIDGWCKZRXQA-SFHVURJKSA-N 1 1 284.403 3.339 20 30 CGEDMO COc1cc(C[N@@H+](C)Cc2cccc(F)c2)ccc1C#N ZINC000234928984 376625138 /nfs/dbraw/zinc/62/51/38/376625138.db2.gz RFXMXWSQJHIXGM-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO C=CCn1c(C)nnc1SC[C@@H]1CCCC[N@@H+]1C(C)C ZINC000339117395 376692005 /nfs/dbraw/zinc/69/20/05/376692005.db2.gz SJOMSNOAPVBREY-AWEZNQCLSA-N 1 1 294.468 3.128 20 30 CGEDMO C=CCOCC[N@@H+]1CCc2c(cccc2C(C)C)C1 ZINC000339117489 376692890 /nfs/dbraw/zinc/69/28/90/376692890.db2.gz AIQFNRXKUVPKFO-UHFFFAOYSA-N 1 1 259.393 3.371 20 30 CGEDMO C[N@@H+](Cc1cc(F)cc(F)c1)[C@H]1CC[C@H](C#N)C1 ZINC000339127480 376695756 /nfs/dbraw/zinc/69/57/56/376695756.db2.gz FPCIJUPELNYAIA-HZMBPMFUSA-N 1 1 250.292 3.089 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccc(C(C)C)nc1C ZINC000339133348 376699762 /nfs/dbraw/zinc/69/97/62/376699762.db2.gz NCLQNTMHOYLBOE-UHFFFAOYSA-N 1 1 262.397 3.148 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CC[C@@H](CC3CC3)C2)cc1 ZINC000339679770 376807091 /nfs/dbraw/zinc/80/70/91/376807091.db2.gz LPNDRWMOZOYNCZ-KRWDZBQOSA-N 1 1 254.377 3.375 20 30 CGEDMO C[N@H+](CC1(C#N)CC1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000553954708 376848524 /nfs/dbraw/zinc/84/85/24/376848524.db2.gz ZKGVPBNIOOIOJQ-HOTGVXAUSA-N 1 1 284.403 3.468 20 30 CGEDMO C[N@@H+](CC1(C#N)CC1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000553954708 376848537 /nfs/dbraw/zinc/84/85/37/376848537.db2.gz ZKGVPBNIOOIOJQ-HOTGVXAUSA-N 1 1 284.403 3.468 20 30 CGEDMO C[N@@H+](CC#Cc1cccc(Cl)c1)C[C@@H]1CCCC[C@H]1O ZINC000245559018 376854115 /nfs/dbraw/zinc/85/41/15/376854115.db2.gz VVVGENHSJNNJLE-DOTOQJQBSA-N 1 1 291.822 3.174 20 30 CGEDMO CC#CC[N@@H+](C)CCOc1ccccc1C(F)(F)F ZINC000555753209 376859950 /nfs/dbraw/zinc/85/99/50/376859950.db2.gz USSAHETVZSEGGJ-UHFFFAOYSA-N 1 1 271.282 3.039 20 30 CGEDMO N#CCC1CC[NH+](Cc2cc(-c3ccccc3)on2)CC1 ZINC000556765286 376876895 /nfs/dbraw/zinc/87/68/95/376876895.db2.gz UHTTYWHLEANZAC-UHFFFAOYSA-N 1 1 281.359 3.467 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000245863231 376920506 /nfs/dbraw/zinc/92/05/06/376920506.db2.gz LCEBPYXFWDWOIN-GOEBONIOSA-N 1 1 292.810 3.168 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000245863231 376920511 /nfs/dbraw/zinc/92/05/11/376920511.db2.gz LCEBPYXFWDWOIN-GOEBONIOSA-N 1 1 292.810 3.168 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)[C@H](C)c1ccccc1F ZINC000246076491 376962359 /nfs/dbraw/zinc/96/23/59/376962359.db2.gz YVCHMGOIKKJTDV-OLZOCXBDSA-N 1 1 251.345 3.146 20 30 CGEDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000246203563 376986984 /nfs/dbraw/zinc/98/69/84/376986984.db2.gz WKCBDCMBNGMBTE-UKPHBRMFSA-N 1 1 297.402 3.150 20 30 CGEDMO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2cccc(C#N)c2F)C1(C)C ZINC000340887180 377302740 /nfs/dbraw/zinc/30/27/40/377302740.db2.gz ZCZQLOMINSOHMP-WMLDXEAASA-N 1 1 290.382 3.333 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000248616277 377366852 /nfs/dbraw/zinc/36/68/52/377366852.db2.gz IWADZIUNXMHQRA-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO Cc1ccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)nc1 ZINC000341216923 377449907 /nfs/dbraw/zinc/44/99/07/377449907.db2.gz VZNSGSOLBGZJCW-UHFFFAOYSA-N 1 1 263.344 3.041 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000249085603 377459331 /nfs/dbraw/zinc/45/93/31/377459331.db2.gz BQEDSNOAPAZISC-RKVPGOIHSA-N 1 1 294.402 3.399 20 30 CGEDMO CCC[N@@H+](C)C[C@H]1CCN([C@H](C)c2cccc(C#N)c2)C1 ZINC000249089574 377460501 /nfs/dbraw/zinc/46/05/01/377460501.db2.gz CTOZZHCFGUCHFU-NVXWUHKLSA-N 1 1 285.435 3.283 20 30 CGEDMO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000249156842 377472030 /nfs/dbraw/zinc/47/20/30/377472030.db2.gz XDRZAEUUUQXAQX-CEXWTWQISA-N 1 1 297.446 3.180 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CC[C@H](c3cccnc3)C2)cc1 ZINC000566177739 377494820 /nfs/dbraw/zinc/49/48/20/377494820.db2.gz WHXQBGWQMRBDDD-KRWDZBQOSA-N 1 1 280.346 3.062 20 30 CGEDMO CC[C@@H]1C[N@H+]([C@H](C)c2cccc(C#N)c2)CCS1 ZINC000249390291 377496705 /nfs/dbraw/zinc/49/67/05/377496705.db2.gz RBMUPXOIKXKFRC-IUODEOHRSA-N 1 1 260.406 3.447 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccc(Oc3cnccn3)cc2)CCC1 ZINC000572015200 377544321 /nfs/dbraw/zinc/54/43/21/377544321.db2.gz FEVCTBSAQNBCPU-UHFFFAOYSA-N 1 1 294.358 3.052 20 30 CGEDMO Cc1noc([C@@H]2CCC[N@H+]([C@H](C)c3ccc(C#N)cc3)C2)n1 ZINC000265475186 190184886 /nfs/dbraw/zinc/18/48/86/190184886.db2.gz JYNWDHUMLHGUEE-MLGOLLRUSA-N 1 1 296.374 3.190 20 30 CGEDMO C=CCCCNc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000265795307 190207509 /nfs/dbraw/zinc/20/75/09/190207509.db2.gz AJTHXCIOXVIRDM-HNNXBMFYSA-N 1 1 274.408 3.458 20 30 CGEDMO C=CCCC[N@@H+](C)Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000342362341 377642699 /nfs/dbraw/zinc/64/26/99/377642699.db2.gz PKZCKCNYTIXOQW-UHFFFAOYSA-N 1 1 290.798 3.319 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000342362341 377642706 /nfs/dbraw/zinc/64/27/06/377642706.db2.gz PKZCKCNYTIXOQW-UHFFFAOYSA-N 1 1 290.798 3.319 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253096379 377675864 /nfs/dbraw/zinc/67/58/64/377675864.db2.gz QGSWSRFRRZWTQH-ARFHVFGLSA-N 1 1 251.414 3.358 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000342733742 377762610 /nfs/dbraw/zinc/76/26/10/377762610.db2.gz NVCZDGXVPOAWDI-ZDUSSCGKSA-N 1 1 294.826 3.367 20 30 CGEDMO COC[C@H]1CCCC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000342734063 377762742 /nfs/dbraw/zinc/76/27/42/377762742.db2.gz GPJTUOINHRLLHT-ZBFHGGJFSA-N 1 1 272.392 3.368 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)c1nnc(-c2cccs2)o1 ZINC000342738089 377767241 /nfs/dbraw/zinc/76/72/41/377767241.db2.gz SWJDIOTZGZJFLX-JTQLQIEISA-N 1 1 263.366 3.367 20 30 CGEDMO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)CC1(C#N)CC1 ZINC000343319771 377952134 /nfs/dbraw/zinc/95/21/34/377952134.db2.gz JMRKGTPZPNAUEB-INIZCTEOSA-N 1 1 270.376 3.308 20 30 CGEDMO CCCOc1ccc(OCC[N@H+](C)[C@@H](C)CC#N)cc1 ZINC000268286568 378051706 /nfs/dbraw/zinc/05/17/06/378051706.db2.gz HRISVKOMTIHBMZ-AWEZNQCLSA-N 1 1 276.380 3.088 20 30 CGEDMO CCCOc1ccc(OCC[N@@H+](C)[C@@H](C)CC#N)cc1 ZINC000268286568 378051712 /nfs/dbraw/zinc/05/17/12/378051712.db2.gz HRISVKOMTIHBMZ-AWEZNQCLSA-N 1 1 276.380 3.088 20 30 CGEDMO N#CCc1ccc(C[N@@H+](Cc2cccnc2)C2CC2)cc1 ZINC000343754781 378084864 /nfs/dbraw/zinc/08/48/64/378084864.db2.gz WGATYHNFQBQSQZ-UHFFFAOYSA-N 1 1 277.371 3.312 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000578428620 378068744 /nfs/dbraw/zinc/06/87/44/378068744.db2.gz ZXEYILHRMFCEFT-CYBMUJFWSA-N 1 1 253.777 3.140 20 30 CGEDMO CC(C)[C@H](C)[N@@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000578450389 378071154 /nfs/dbraw/zinc/07/11/54/378071154.db2.gz YCEFLEUVCAZENI-WMLDXEAASA-N 1 1 299.418 3.030 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCC[C@H]2c2ccncc2)cc1 ZINC000343725238 378074986 /nfs/dbraw/zinc/07/49/86/378074986.db2.gz NKPYRMUGCUHVCG-SFHVURJKSA-N 1 1 277.371 3.485 20 30 CGEDMO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1cscn1 ZINC000579149718 378134717 /nfs/dbraw/zinc/13/47/17/378134717.db2.gz YMTNHJILNWUOGX-WDEREUQCSA-N 1 1 257.362 3.427 20 30 CGEDMO CC[C@H](c1cccc(OC)c1)[N@H+](C)CC1(C#N)CC1 ZINC000343927385 378135617 /nfs/dbraw/zinc/13/56/17/378135617.db2.gz ABMCWLBDEZDMNK-OAHLLOKOSA-N 1 1 258.365 3.382 20 30 CGEDMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)CC1(C#N)CC1 ZINC000343927385 378135619 /nfs/dbraw/zinc/13/56/19/378135619.db2.gz ABMCWLBDEZDMNK-OAHLLOKOSA-N 1 1 258.365 3.382 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)[C@H]1CCCc2nc(CC)sc21 ZINC000268661194 378087036 /nfs/dbraw/zinc/08/70/36/378087036.db2.gz JBZGNRJVELXDLN-OCCSQVGLSA-N 1 1 294.464 3.342 20 30 CGEDMO CC(C)[C@@H]1CCCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000268718186 378095764 /nfs/dbraw/zinc/09/57/64/378095764.db2.gz VIAJVEHRKKZOEU-IRXDYDNUSA-N 1 1 272.392 3.102 20 30 CGEDMO CC(C)[N@H+](Cc1ccco1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000268730715 378096583 /nfs/dbraw/zinc/09/65/83/378096583.db2.gz XKBHYUQDTXHXCV-QGZVFWFLSA-N 1 1 284.359 3.095 20 30 CGEDMO C#CCC[N@H+](CCC)C1CCN(C(=O)c2ccccc2)CC1 ZINC000268748348 378101667 /nfs/dbraw/zinc/10/16/67/378101667.db2.gz VWIFTOOWPWTCAL-UHFFFAOYSA-N 1 1 298.430 3.027 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2C[C@@H](C)OC3(CCC3)C2)cc1 ZINC000578869319 378107431 /nfs/dbraw/zinc/10/74/31/378107431.db2.gz HDNHOISJJYMAQX-OAHLLOKOSA-N 1 1 287.403 3.395 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000580014642 378216536 /nfs/dbraw/zinc/21/65/36/378216536.db2.gz WVZLKVJAODHUHZ-KRWDZBQOSA-N 1 1 257.377 3.422 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000269588633 378239936 /nfs/dbraw/zinc/23/99/36/378239936.db2.gz ASOGKRKJFKMKFB-UHFFFAOYSA-N 1 1 296.773 3.229 20 30 CGEDMO C[C@]1(c2ccc(F)cc2)CC[N@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000580837971 378262589 /nfs/dbraw/zinc/26/25/89/378262589.db2.gz ODMMDVXJQHKEFP-JQFCIGGWSA-N 1 1 272.367 3.481 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(CCC(C)(C)C#N)C1 ZINC000345734661 378358261 /nfs/dbraw/zinc/35/82/61/378358261.db2.gz DMEOXMQYBZBVFW-XHSDSOJGSA-N 1 1 277.456 3.263 20 30 CGEDMO C=C1CC[NH+](Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000271156683 378464958 /nfs/dbraw/zinc/46/49/58/378464958.db2.gz HXZXFHMSCHUQIL-UHFFFAOYSA-N 1 1 271.339 3.368 20 30 CGEDMO Cc1cc(C[C@H](C)[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)n[nH]1 ZINC000271949312 378526558 /nfs/dbraw/zinc/52/65/58/378526558.db2.gz ODWLYHXXSHCFGL-JQWIXIFHSA-N 1 1 286.354 3.011 20 30 CGEDMO C[C@@H](NCC[NH+]1CCC(C)CC1)c1ccc(C#N)c(F)c1 ZINC000271958777 378530601 /nfs/dbraw/zinc/53/06/01/378530601.db2.gz TYMBLOQELPMRAR-CQSZACIVSA-N 1 1 289.398 3.080 20 30 CGEDMO C=CCCC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000346587769 378635285 /nfs/dbraw/zinc/63/52/85/378635285.db2.gz NCSINDRXHBUAFO-JKSUJKDBSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@@H+](CCCCCn1cccn1)CCc1ccco1 ZINC000272250707 378596503 /nfs/dbraw/zinc/59/65/03/378596503.db2.gz IHYIJIWVIVXHPF-UHFFFAOYSA-N 1 1 287.407 3.377 20 30 CGEDMO C=CC[N@@H+](CCC[C@@H]1CCO1)CCc1ccccc1 ZINC000637973720 378654877 /nfs/dbraw/zinc/65/48/77/378654877.db2.gz BEYFBJQBVDXIIE-QGZVFWFLSA-N 1 1 259.393 3.286 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCCSCC2)c1 ZINC000272752069 378698955 /nfs/dbraw/zinc/69/89/55/378698955.db2.gz JYFDZMVIWGEESB-UHFFFAOYSA-N 1 1 263.406 3.190 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cccc(O)c1 ZINC000272694356 378690504 /nfs/dbraw/zinc/69/05/04/378690504.db2.gz XMBWNNXWKBYQMH-UHFFFAOYSA-N 1 1 257.333 3.216 20 30 CGEDMO C=CCOCCC[N@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000348044620 378764565 /nfs/dbraw/zinc/76/45/65/378764565.db2.gz BKHUNYQWWCAFHM-SFHVURJKSA-N 1 1 288.435 3.180 20 30 CGEDMO C=CCOCCC[NH2+]C1(c2noc(C(C)C)n2)CCCC1 ZINC000348052819 378768389 /nfs/dbraw/zinc/76/83/89/378768389.db2.gz UKIWAJXACKDSTQ-UHFFFAOYSA-N 1 1 293.411 3.145 20 30 CGEDMO C=CCOCCC[N@H+](CC)[C@H](C)c1cccc(O)c1 ZINC000348054985 378769184 /nfs/dbraw/zinc/76/91/84/378769184.db2.gz ZWPMGMYSRVQCML-CQSZACIVSA-N 1 1 263.381 3.368 20 30 CGEDMO C=CCOCCC[N@H+](C)Cc1ccc(OC)c(C)c1 ZINC000348058882 378771246 /nfs/dbraw/zinc/77/12/46/378771246.db2.gz VJPPCOHCFBWXOA-UHFFFAOYSA-N 1 1 263.381 3.028 20 30 CGEDMO C=CCOCCC[N@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000348064346 378773856 /nfs/dbraw/zinc/77/38/56/378773856.db2.gz XMZKTSYSXVHXOC-UHFFFAOYSA-N 1 1 277.408 3.337 20 30 CGEDMO C=CC[N@@H+](Cc1nn(CC)c2ccccc12)C1CC1 ZINC000274498512 378842332 /nfs/dbraw/zinc/84/23/32/378842332.db2.gz QXWVTQNFYLQWDY-UHFFFAOYSA-N 1 1 255.365 3.207 20 30 CGEDMO C=CC[N@H+](Cc1nn(CC)c2ccccc12)C1CC1 ZINC000274498512 378842338 /nfs/dbraw/zinc/84/23/38/378842338.db2.gz QXWVTQNFYLQWDY-UHFFFAOYSA-N 1 1 255.365 3.207 20 30 CGEDMO C[C@@H]([NH2+][C@H](CCO)c1ccco1)c1ccc(C#N)c(F)c1 ZINC000274510726 378843733 /nfs/dbraw/zinc/84/37/33/378843733.db2.gz WQMHOTDLVGQMPF-IAQYHMDHSA-N 1 1 288.322 3.065 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000348241137 378858595 /nfs/dbraw/zinc/85/85/95/378858595.db2.gz IJFRVOYLXVRHQK-GXFFZTMASA-N 1 1 298.308 3.340 20 30 CGEDMO N#Cc1cccc(OCC[N@H+]2CCC[C@H]2c2cccnc2)c1 ZINC000346997319 218084379 /nfs/dbraw/zinc/08/43/79/218084379.db2.gz YKPCBSFJTJISMP-SFHVURJKSA-N 1 1 293.370 3.169 20 30 CGEDMO N#Cc1ccccc1N1CCC[N@H+](CCCCCF)CC1 ZINC000370280607 379002561 /nfs/dbraw/zinc/00/25/61/379002561.db2.gz WJASNRUAUWDYTE-UHFFFAOYSA-N 1 1 289.398 3.210 20 30 CGEDMO C=CCCCCCN(C)C(=S)NC[C@H]1CCC[N@@H+]1CC ZINC000739457765 572417870 /nfs/dbraw/zinc/41/78/70/572417870.db2.gz KTQWGLRTNRXLTC-OAHLLOKOSA-N 1 1 297.512 3.023 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@H]1C ZINC000347580237 218280392 /nfs/dbraw/zinc/28/03/92/218280392.db2.gz KPGCCEAFVNELKO-QWHCGFSZSA-N 1 1 296.374 3.086 20 30 CGEDMO CCc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)cn1 ZINC000347593011 218284754 /nfs/dbraw/zinc/28/47/54/218284754.db2.gz QTYPKESDTCIWAQ-UHFFFAOYSA-N 1 1 265.360 3.148 20 30 CGEDMO N#C[C@H]1CC[C@H]([NH2+]Cc2csc(-c3ccco3)n2)C1 ZINC000349822108 379401023 /nfs/dbraw/zinc/40/10/23/379401023.db2.gz OMNPFRNCTANTNJ-QWRGUYRKSA-N 1 1 273.361 3.185 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)Cc1cncnc1 ZINC000279689144 379490054 /nfs/dbraw/zinc/49/00/54/379490054.db2.gz POZJNKKWOUZJCT-UHFFFAOYSA-N 1 1 253.349 3.055 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)Cc1cncnc1 ZINC000279689144 379490061 /nfs/dbraw/zinc/49/00/61/379490061.db2.gz POZJNKKWOUZJCT-UHFFFAOYSA-N 1 1 253.349 3.055 20 30 CGEDMO C=CC[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)C1CC1 ZINC000350263758 379532850 /nfs/dbraw/zinc/53/28/50/379532850.db2.gz JXXXVCDRSRWPSW-UHFFFAOYSA-N 1 1 271.339 3.162 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000375739565 379506569 /nfs/dbraw/zinc/50/65/69/379506569.db2.gz BXGJNIWXHFHOOA-IRXDYDNUSA-N 1 1 291.439 3.054 20 30 CGEDMO C=C(C)[C@@H](CO)[N@@H+]1CCc2ccc(C(F)(F)F)cc2C1 ZINC000639911385 379640926 /nfs/dbraw/zinc/64/09/26/379640926.db2.gz ZXBUPEHFIGFDAK-CQSZACIVSA-N 1 1 285.309 3.001 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CCc2ccc(C(F)(F)F)cc2C1 ZINC000639911385 379640931 /nfs/dbraw/zinc/64/09/31/379640931.db2.gz ZXBUPEHFIGFDAK-CQSZACIVSA-N 1 1 285.309 3.001 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000351097986 379643280 /nfs/dbraw/zinc/64/32/80/379643280.db2.gz JXQXWRKUFGMEED-JTQLQIEISA-N 1 1 284.762 3.314 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000351097986 379643287 /nfs/dbraw/zinc/64/32/87/379643287.db2.gz JXQXWRKUFGMEED-JTQLQIEISA-N 1 1 284.762 3.314 20 30 CGEDMO C=CCCCCN1C[C@@H]2C[C@H]1C[N@H+]2CCCCC=C ZINC000640050090 379700365 /nfs/dbraw/zinc/70/03/65/379700365.db2.gz WPVROSXIHDRBRV-IRXDYDNUSA-N 1 1 262.441 3.458 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](Cc1cccc(F)c1)C(C)C ZINC000351638347 379733948 /nfs/dbraw/zinc/73/39/48/379733948.db2.gz BYOMVPWTHKLDPU-INIZCTEOSA-N 1 1 265.372 3.363 20 30 CGEDMO C[C@@H]1CSCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000380370572 379863059 /nfs/dbraw/zinc/86/30/59/379863059.db2.gz UMNOIZQFHGITCH-NSHDSACASA-N 1 1 280.824 3.397 20 30 CGEDMO N#CC1(F)CC[NH+](Cc2ccc(F)c3cccnc23)CC1 ZINC000352458496 379823727 /nfs/dbraw/zinc/82/37/27/379823727.db2.gz LEPZBXUJWJNTFN-UHFFFAOYSA-N 1 1 287.313 3.202 20 30 CGEDMO C=CCCCCn1cc(C[NH2+][C@@H]2CCc3ccccc32)nn1 ZINC000640938904 379878981 /nfs/dbraw/zinc/87/89/81/379878981.db2.gz FUDSTJSFLSBGAQ-GOSISDBHSA-N 1 1 296.418 3.412 20 30 CGEDMO CC[N@@H+](CCOc1ccc(C#N)cc1)CC(C)(C)C ZINC000389080741 379893655 /nfs/dbraw/zinc/89/36/55/379893655.db2.gz CWGKSURCDGSWRT-UHFFFAOYSA-N 1 1 260.381 3.305 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@H]1OCCc2ccccc21 ZINC000352671295 379903298 /nfs/dbraw/zinc/90/32/98/379903298.db2.gz MQRCXHLJSNPHIS-QGZVFWFLSA-N 1 1 298.411 3.366 20 30 CGEDMO N#CCc1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000398980194 379933520 /nfs/dbraw/zinc/93/35/20/379933520.db2.gz FQQKMYKGIPORNH-CALCHBBNSA-N 1 1 254.377 3.375 20 30 CGEDMO CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000399748990 379943026 /nfs/dbraw/zinc/94/30/26/379943026.db2.gz LDEORONRTYXTFJ-IUODEOHRSA-N 1 1 258.365 3.187 20 30 CGEDMO CC[C@H]1C[C@H](C)C[N@H+]1CCCOc1cccc(C#N)c1 ZINC000399749984 379943046 /nfs/dbraw/zinc/94/30/46/379943046.db2.gz LJRWXQZGAKUCHN-HOCLYGCPSA-N 1 1 272.392 3.448 20 30 CGEDMO CCCOc1ccc(C[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000352852335 380003949 /nfs/dbraw/zinc/00/39/49/380003949.db2.gz JOJIMGIFRORYAG-UHFFFAOYSA-N 1 1 287.388 3.093 20 30 CGEDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000352871576 380013963 /nfs/dbraw/zinc/01/39/63/380013963.db2.gz BQOKHASGPSGVGW-CZUORRHYSA-N 1 1 290.382 3.213 20 30 CGEDMO CCC[N@@H+](CCCC(C)(C)C#N)CCN1CCCC1 ZINC000352878011 380016484 /nfs/dbraw/zinc/01/64/84/380016484.db2.gz RWKUUOWMFOJOAY-UHFFFAOYSA-N 1 1 265.445 3.124 20 30 CGEDMO C=C(C)C[N@H+](CCC[C@@H](C)O)Cc1cnn(C(C)C)c1 ZINC000352899270 380025512 /nfs/dbraw/zinc/02/55/12/380025512.db2.gz CCZLLHNPWLWOMM-OAHLLOKOSA-N 1 1 279.428 3.003 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](CC(=C)C)Cc1cnn(C(C)C)c1 ZINC000352903267 380029084 /nfs/dbraw/zinc/02/90/84/380029084.db2.gz PIPOGRRKCFGYRY-QGZVFWFLSA-N 1 1 291.439 3.169 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1ccc(OC)c(O)c1 ZINC000353009416 380073122 /nfs/dbraw/zinc/07/31/22/380073122.db2.gz WBSVPBQKRJDYMZ-UHFFFAOYSA-N 1 1 287.359 3.225 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)C[C@H]1CCO[C@H](C)C1 ZINC000352928032 380042926 /nfs/dbraw/zinc/04/29/26/380042926.db2.gz BNYYQRMUOYJMMA-CABCVRRESA-N 1 1 263.381 3.125 20 30 CGEDMO N#CC1(CC[N@@H+]2CCC[C@@H]2CN2CCCC2)CCCCC1 ZINC000411227047 380135564 /nfs/dbraw/zinc/13/55/64/380135564.db2.gz ONJWVMHPVUBQEX-QGZVFWFLSA-N 1 1 289.467 3.411 20 30 CGEDMO N#CC1(CC[N@H+]2CCC[C@@H]2CN2CCCC2)CCCCC1 ZINC000411227047 380135571 /nfs/dbraw/zinc/13/55/71/380135571.db2.gz ONJWVMHPVUBQEX-QGZVFWFLSA-N 1 1 289.467 3.411 20 30 CGEDMO N#CC1(CC[N@@H+]2CCCC[C@H]2CCO)CCCCC1 ZINC000411220443 380136059 /nfs/dbraw/zinc/13/60/59/380136059.db2.gz FVYTXBZLDDEXAV-HNNXBMFYSA-N 1 1 264.413 3.087 20 30 CGEDMO CN(CCC1(C#N)CCCCC1)C[C@H]1CCC[N@H+](C)C1 ZINC000411281446 380138732 /nfs/dbraw/zinc/13/87/32/380138732.db2.gz HMSUNBABZGLCBF-INIZCTEOSA-N 1 1 277.456 3.124 20 30 CGEDMO CN(CCC1(C#N)CCCCC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000411281446 380138738 /nfs/dbraw/zinc/13/87/38/380138738.db2.gz HMSUNBABZGLCBF-INIZCTEOSA-N 1 1 277.456 3.124 20 30 CGEDMO CN1CCC[C@H](C[N@H+](C)CCC2(C#N)CCCCC2)C1 ZINC000411281446 380138743 /nfs/dbraw/zinc/13/87/43/380138743.db2.gz HMSUNBABZGLCBF-INIZCTEOSA-N 1 1 277.456 3.124 20 30 CGEDMO CN1CCC[C@H](C[N@@H+](C)CCC2(C#N)CCCCC2)C1 ZINC000411281446 380138750 /nfs/dbraw/zinc/13/87/50/380138750.db2.gz HMSUNBABZGLCBF-INIZCTEOSA-N 1 1 277.456 3.124 20 30 CGEDMO N#Cc1ccc2ncc(CNc3cc(C4CC4)cc[nH+]3)n2c1 ZINC000353077660 380105470 /nfs/dbraw/zinc/10/54/70/380105470.db2.gz FPSZCQORIGJZMJ-UHFFFAOYSA-N 1 1 289.342 3.090 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccsc1 ZINC000268272558 190391641 /nfs/dbraw/zinc/39/16/41/190391641.db2.gz HKCPRDIFEZAUGD-INIZCTEOSA-N 1 1 273.401 3.470 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000411546574 380151964 /nfs/dbraw/zinc/15/19/64/380151964.db2.gz TXCOMZNYLSTMKX-VXGBXAGGSA-N 1 1 264.319 3.446 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000411874342 380154169 /nfs/dbraw/zinc/15/41/69/380154169.db2.gz MEIWBPMZFZFMHO-GUYCJALGSA-N 1 1 270.376 3.120 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@H](C2CCC2)C1 ZINC000411874342 380154176 /nfs/dbraw/zinc/15/41/76/380154176.db2.gz MEIWBPMZFZFMHO-GUYCJALGSA-N 1 1 270.376 3.120 20 30 CGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)[C@@H](C)C(C)C ZINC000642253125 380154216 /nfs/dbraw/zinc/15/42/16/380154216.db2.gz BOPQITBYTBTNEU-DOTOQJQBSA-N 1 1 291.435 3.131 20 30 CGEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@H]4CCCC[C@@H]43)n2c1 ZINC000353904059 380227821 /nfs/dbraw/zinc/22/78/21/380227821.db2.gz XHRPTATZGHXFMI-WBVHZDCISA-N 1 1 294.402 3.361 20 30 CGEDMO C[N@H+](Cc1ccc(Oc2cnccn2)cc1)CC(C)(C)C#N ZINC000354019127 380282471 /nfs/dbraw/zinc/28/24/71/380282471.db2.gz UPUOLQHHXYPZIS-UHFFFAOYSA-N 1 1 296.374 3.250 20 30 CGEDMO C[N@@H+](Cc1ccc(Oc2cnccn2)cc1)CC(C)(C)C#N ZINC000354019127 380282478 /nfs/dbraw/zinc/28/24/78/380282478.db2.gz UPUOLQHHXYPZIS-UHFFFAOYSA-N 1 1 296.374 3.250 20 30 CGEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000354025040 380284090 /nfs/dbraw/zinc/28/40/90/380284090.db2.gz XWCXYMYSCCSZBY-KGLIPLIRSA-N 1 1 299.418 3.253 20 30 CGEDMO C=CCc1cc(C[N@@H+](C)Cc2ccc[nH]2)cc(OC)c1O ZINC000354033170 380290166 /nfs/dbraw/zinc/29/01/66/380290166.db2.gz IUWPYKPCEMDGKP-UHFFFAOYSA-N 1 1 286.375 3.089 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000645246762 380631414 /nfs/dbraw/zinc/63/14/14/380631414.db2.gz FOGSUUMWBYVNDV-HOTGVXAUSA-N 1 1 253.430 3.462 20 30 CGEDMO C[N@@H+](CCNc1cc(C#N)ccc1C(F)(F)F)C1CC1 ZINC000355333137 380646974 /nfs/dbraw/zinc/64/69/74/380646974.db2.gz PUUTUFFZVMMTRV-UHFFFAOYSA-N 1 1 283.297 3.083 20 30 CGEDMO CCn1cncc1C[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000417718592 380670066 /nfs/dbraw/zinc/67/00/66/380670066.db2.gz OQERIOUAOHNDFV-CQSZACIVSA-N 1 1 282.391 3.358 20 30 CGEDMO C=CCc1cc(C[N@@H+]2CC[C@](C)(F)C2)cc(OC)c1O ZINC000355356088 380656194 /nfs/dbraw/zinc/65/61/94/380656194.db2.gz PXSZNFPDTFLVHM-INIZCTEOSA-N 1 1 279.355 3.063 20 30 CGEDMO C=CCc1cc(C[N@H+]2CC[C@](C)(F)C2)cc(OC)c1O ZINC000355356088 380656197 /nfs/dbraw/zinc/65/61/97/380656197.db2.gz PXSZNFPDTFLVHM-INIZCTEOSA-N 1 1 279.355 3.063 20 30 CGEDMO CCn1nccc1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000355357348 380657408 /nfs/dbraw/zinc/65/74/08/380657408.db2.gz UOTBIALBKAMQBZ-UHFFFAOYSA-N 1 1 292.386 3.064 20 30 CGEDMO CCn1nccc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000355357348 380657415 /nfs/dbraw/zinc/65/74/15/380657415.db2.gz UOTBIALBKAMQBZ-UHFFFAOYSA-N 1 1 292.386 3.064 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)[C@H](CO)C1CCC1 ZINC000645985806 380793323 /nfs/dbraw/zinc/79/33/23/380793323.db2.gz PWTJPIAAZWZDGK-QGZVFWFLSA-N 1 1 259.393 3.226 20 30 CGEDMO C=CCC[N@@H+]1Cc2ccc(OC)cc2OC(C)(C)C1 ZINC000421043530 380869620 /nfs/dbraw/zinc/86/96/20/380869620.db2.gz QVUAPWFESZJMMN-UHFFFAOYSA-N 1 1 261.365 3.244 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)CC1 ZINC000357099428 381028400 /nfs/dbraw/zinc/02/84/00/381028400.db2.gz HGPIUVPQMPQQNW-AWEZNQCLSA-N 1 1 267.376 3.433 20 30 CGEDMO Cc1c(Cl)cnc(N[C@H](C)C[N@@H+](C)C(C)C)c1C#N ZINC000357569610 381213719 /nfs/dbraw/zinc/21/37/19/381213719.db2.gz PDZSDXQZCDSULM-SNVBAGLBSA-N 1 1 280.803 3.056 20 30 CGEDMO C[C@@H](C#N)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000357834682 381285411 /nfs/dbraw/zinc/28/54/11/381285411.db2.gz RKWOFBXMYZIJLQ-KGLIPLIRSA-N 1 1 285.391 3.017 20 30 CGEDMO CC[N@H+]1C[C@H](C)N(Cc2ccc(Cl)cc2C#N)C[C@H]1C ZINC000360115290 381452761 /nfs/dbraw/zinc/45/27/61/381452761.db2.gz LLJNPNOADROJHK-OLZOCXBDSA-N 1 1 291.826 3.126 20 30 CGEDMO COCC1(C[N@@H+](CCC#N)CC(C)(C)C)CCC1 ZINC000361307564 381688931 /nfs/dbraw/zinc/68/89/31/381688931.db2.gz GXUGSKSMKGFTGE-UHFFFAOYSA-N 1 1 252.402 3.065 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)cc1C#N ZINC000361551916 381799333 /nfs/dbraw/zinc/79/93/33/381799333.db2.gz XTEBYPHOJASZMW-ZBFHGGJFSA-N 1 1 257.381 3.051 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000361593799 381824965 /nfs/dbraw/zinc/82/49/65/381824965.db2.gz HQIZBZIUESXAGA-GOSISDBHSA-N 1 1 273.420 3.270 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000361649072 381858642 /nfs/dbraw/zinc/85/86/42/381858642.db2.gz WXROOIIXHCEDCS-UHFFFAOYSA-N 1 1 292.379 3.353 20 30 CGEDMO COCC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@@H]1CC[C@H](C)C1 ZINC000362166026 381894337 /nfs/dbraw/zinc/89/43/37/381894337.db2.gz WZINKWJPUAVANM-XJKSGUPXSA-N 1 1 290.382 3.334 20 30 CGEDMO COc1ccc(CC[N@@H+](CCC#N)CCC(C)C)cc1 ZINC000362172814 381897267 /nfs/dbraw/zinc/89/72/67/381897267.db2.gz HSOIPBSUOWKHOZ-UHFFFAOYSA-N 1 1 274.408 3.499 20 30 CGEDMO COCC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CC[C@H](C)C1 ZINC000362166021 381893984 /nfs/dbraw/zinc/89/39/84/381893984.db2.gz WZINKWJPUAVANM-BBRMVZONSA-N 1 1 290.382 3.334 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000362301055 381934550 /nfs/dbraw/zinc/93/45/50/381934550.db2.gz PTIZTDQIDXYUHH-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000368650020 382379157 /nfs/dbraw/zinc/37/91/57/382379157.db2.gz MKWDMEITSKXIEV-MRXNPFEDSA-N 1 1 271.408 3.276 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)o1 ZINC000335374356 208307095 /nfs/dbraw/zinc/30/70/95/208307095.db2.gz DYMNYNVRNYILHY-SFHVURJKSA-N 1 1 294.354 3.121 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)ccc1C#N ZINC000335380090 208321054 /nfs/dbraw/zinc/32/10/54/208321054.db2.gz MNCVVZJHYJKACO-ROUUACIJSA-N 1 1 284.403 3.258 20 30 CGEDMO CC1(C)C[N@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1[C@H]1CCCO1 ZINC000289382529 197321355 /nfs/dbraw/zinc/32/13/55/197321355.db2.gz BSVLFIGRMUNMLK-HZPDHXFCSA-N 1 1 288.366 3.087 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(F)c(C#N)c2)[C@@H]1[C@H]1CCCO1 ZINC000289382529 197321357 /nfs/dbraw/zinc/32/13/57/197321357.db2.gz BSVLFIGRMUNMLK-HZPDHXFCSA-N 1 1 288.366 3.087 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](c3ccncc3)C2)c1 ZINC000289311721 197292196 /nfs/dbraw/zinc/29/21/96/197292196.db2.gz JGATVBVEWNALFQ-GOSISDBHSA-N 1 1 277.371 3.333 20 30 CGEDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccc(C#N)s1 ZINC000289241242 197272836 /nfs/dbraw/zinc/27/28/36/197272836.db2.gz DSRDUALPBOQSHK-QWHCGFSZSA-N 1 1 278.421 3.135 20 30 CGEDMO CN(C)c1ccccc1C[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000289138835 197243405 /nfs/dbraw/zinc/24/34/05/197243405.db2.gz YKQDYTSMJBWRPO-UHFFFAOYSA-N 1 1 297.377 3.395 20 30 CGEDMO N#CCC[NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1 ZINC000574870731 335052378 /nfs/dbraw/zinc/05/23/78/335052378.db2.gz PFGWMZXQGLVQCL-NSHDSACASA-N 1 1 284.190 3.075 20 30 CGEDMO COc1cncc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425528952 533127282 /nfs/dbraw/zinc/12/72/82/533127282.db2.gz ABYJQDGFJNHOAU-ZDUSSCGKSA-N 1 1 281.359 3.155 20 30 CGEDMO CCC[N@@H+](C)Cc1cc(C#N)ccc1Br ZINC000191779052 130301851 /nfs/dbraw/zinc/30/18/51/130301851.db2.gz CDBSKBBJMOOXMF-UHFFFAOYSA-N 1 1 267.170 3.163 20 30 CGEDMO CO[C@@H](C)C[N@@H+](CCCOc1cccc(C#N)c1)C(C)C ZINC000357303963 533331351 /nfs/dbraw/zinc/33/13/51/533331351.db2.gz LUMOBEGIHRYOAF-HNNXBMFYSA-N 1 1 290.407 3.072 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CCC1 ZINC000189821064 130026798 /nfs/dbraw/zinc/02/67/98/130026798.db2.gz KQVJBKMFFHPLAF-SJORKVTESA-N 1 1 298.430 3.294 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H]1CC[C@H](C)O1 ZINC000190458349 130106225 /nfs/dbraw/zinc/10/62/25/130106225.db2.gz NJZPHZOKHQJASB-WMLDXEAASA-N 1 1 270.376 3.114 20 30 CGEDMO Cn1cc(C[N@@H+](C)Cc2cccc(Cl)c2)cc1C#N ZINC000191178692 130197423 /nfs/dbraw/zinc/19/74/23/130197423.db2.gz PLZGODIZBAHLQR-UHFFFAOYSA-N 1 1 273.767 3.182 20 30 CGEDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191375570 130228587 /nfs/dbraw/zinc/22/85/87/130228587.db2.gz VAOMMEYBKMCGOM-PBHICJAKSA-N 1 1 279.387 3.275 20 30 CGEDMO CCC[N@H+](C)Cc1cc(C#N)ccc1Br ZINC000191779052 130301850 /nfs/dbraw/zinc/30/18/50/130301850.db2.gz CDBSKBBJMOOXMF-UHFFFAOYSA-N 1 1 267.170 3.163 20 30 CGEDMO C[C@@H](C[N@@H+](C)CC#Cc1ccccc1)c1nccs1 ZINC000192175951 130388074 /nfs/dbraw/zinc/38/80/74/130388074.db2.gz ATYAYMUADLIFHQ-AWEZNQCLSA-N 1 1 270.401 3.230 20 30 CGEDMO C[C@@H]1CCC[C@@H]([N@@H+](C)CCOc2cccc(C#N)c2)C1 ZINC000048335272 391996157 /nfs/dbraw/zinc/99/61/57/391996157.db2.gz NDBBAWFBFNNXEW-GDBMZVCRSA-N 1 1 272.392 3.448 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000093498000 392236824 /nfs/dbraw/zinc/23/68/24/392236824.db2.gz NTYDDGDIZFYMRZ-UHFFFAOYSA-N 1 1 282.391 3.384 20 30 CGEDMO CC(C)(CCC#N)C[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000093768721 392239124 /nfs/dbraw/zinc/23/91/24/392239124.db2.gz BUNCBOIQBRCRLE-AWEZNQCLSA-N 1 1 278.421 3.451 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000093768721 392239129 /nfs/dbraw/zinc/23/91/29/392239129.db2.gz BUNCBOIQBRCRLE-AWEZNQCLSA-N 1 1 278.421 3.451 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)o2)[C@@H]1c1ccccc1 ZINC000093867466 392240860 /nfs/dbraw/zinc/24/08/60/392240860.db2.gz FKOLGHPQZWLQMM-WBMJQRKESA-N 1 1 252.317 3.344 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)o2)[C@@H]1c1ccccc1 ZINC000093867466 392240861 /nfs/dbraw/zinc/24/08/61/392240861.db2.gz FKOLGHPQZWLQMM-WBMJQRKESA-N 1 1 252.317 3.344 20 30 CGEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000075020973 392214190 /nfs/dbraw/zinc/21/41/90/392214190.db2.gz KKWWNCFKHJQFKL-BETUJISGSA-N 1 1 296.374 3.371 20 30 CGEDMO CCC[N@H+](Cc1cc(C#N)ccc1F)C[C@H]1CCCCO1 ZINC000106866517 392311512 /nfs/dbraw/zinc/31/15/12/392311512.db2.gz WDCLEMMIQVBBHG-MRXNPFEDSA-N 1 1 290.382 3.478 20 30 CGEDMO COCC[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccco1 ZINC000361748478 392311851 /nfs/dbraw/zinc/31/18/51/392311851.db2.gz HKYLXJZUIQNEFM-HNNXBMFYSA-N 1 1 288.322 3.158 20 30 CGEDMO CO[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)[C@H](C)C1 ZINC000282371941 392288724 /nfs/dbraw/zinc/28/87/24/392288724.db2.gz NXJXHODDDGMKPZ-CJNGLKHVSA-N 1 1 277.795 3.191 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)C1Cc2ccccc2C1 ZINC000361698058 392297811 /nfs/dbraw/zinc/29/78/11/392297811.db2.gz AZGOTPSDFWJVMP-UHFFFAOYSA-N 1 1 280.346 3.297 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000283201776 392302599 /nfs/dbraw/zinc/30/25/99/392302599.db2.gz RKJGBSIBQGSOME-INIZCTEOSA-N 1 1 286.419 3.047 20 30 CGEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)c(F)c2)C1(C)C ZINC000361839311 392340109 /nfs/dbraw/zinc/34/01/09/392340109.db2.gz HVUAXZQHJKEVCZ-HZPDHXFCSA-N 1 1 290.382 3.333 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000285408346 392322616 /nfs/dbraw/zinc/32/26/16/392322616.db2.gz FPZKIUMZYGGBKH-CYBMUJFWSA-N 1 1 294.354 3.219 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCOc2cc(O)ccc2C1 ZINC000285408346 392322622 /nfs/dbraw/zinc/32/26/22/392322622.db2.gz FPZKIUMZYGGBKH-CYBMUJFWSA-N 1 1 294.354 3.219 20 30 CGEDMO C=CCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000286234416 392378755 /nfs/dbraw/zinc/37/87/55/392378755.db2.gz ZHXFYUPZPLEWDR-IKGGRYGDSA-N 1 1 257.377 3.067 20 30 CGEDMO C#Cc1ccc(C[NH2+][C@H](C)c2nnc([C@@H](C)CC)[nH]2)cc1 ZINC000289703732 392429914 /nfs/dbraw/zinc/42/99/14/392429914.db2.gz NQLVMPMSJPFHCP-QWHCGFSZSA-N 1 1 282.391 3.150 20 30 CGEDMO C[C@H]1CCC[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000124365282 392434182 /nfs/dbraw/zinc/43/41/82/392434182.db2.gz LILAVGDGFJHEKZ-AWEZNQCLSA-N 1 1 257.381 3.021 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000121055662 392406684 /nfs/dbraw/zinc/40/66/84/392406684.db2.gz ZJESKUYIZGRYRK-CABCVRRESA-N 1 1 264.413 3.350 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000121163824 392408409 /nfs/dbraw/zinc/40/84/09/392408409.db2.gz ZKSVSWIFWPDXNQ-HNNXBMFYSA-N 1 1 274.408 3.104 20 30 CGEDMO C=C(C)CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000154744299 392536921 /nfs/dbraw/zinc/53/69/21/392536921.db2.gz NONHOVAXTZKORY-INIZCTEOSA-N 1 1 250.430 3.006 20 30 CGEDMO COCC[C@@H]1CCCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000372100792 392583828 /nfs/dbraw/zinc/58/38/28/392583828.db2.gz FBBZMNCHQTWFDZ-KRWDZBQOSA-N 1 1 289.394 3.316 20 30 CGEDMO CC(C)[N@@H+](CCc1cscn1)Cc1ccc(C#N)cc1 ZINC000295459901 392546032 /nfs/dbraw/zinc/54/60/32/392546032.db2.gz HSKKWCQWTRFEIJ-UHFFFAOYSA-N 1 1 285.416 3.468 20 30 CGEDMO CC[N@@H+](CCCc1ccccc1OC)C[C@H](C)C#N ZINC000182421855 392746591 /nfs/dbraw/zinc/74/65/91/392746591.db2.gz YIEUHHAUHAMRLD-CQSZACIVSA-N 1 1 260.381 3.109 20 30 CGEDMO C=CC[C@H]1[N@H+](Cc2ccc(N)nc2)CCCC1(C)C ZINC000647538994 392757613 /nfs/dbraw/zinc/75/76/13/392757613.db2.gz QUDRYGOKJOPTIE-CQSZACIVSA-N 1 1 259.397 3.061 20 30 CGEDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])CC(C)(C)CCC#N ZINC000179316945 392696044 /nfs/dbraw/zinc/69/60/44/392696044.db2.gz WJMXRSNZJQRNOX-UHFFFAOYSA-N 1 1 275.352 3.357 20 30 CGEDMO COc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2C)ccc1O ZINC000186205689 392778005 /nfs/dbraw/zinc/77/80/05/392778005.db2.gz WDFUYAXXSISOTR-UHFFFAOYSA-N 1 1 296.370 3.213 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2F)CCS1 ZINC000335291942 392788172 /nfs/dbraw/zinc/78/81/72/392788172.db2.gz GVXAJBVKOISTII-LLVKDONJSA-N 1 1 264.369 3.025 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@]1(CO)CC(C)C ZINC000191647315 392832827 /nfs/dbraw/zinc/83/28/27/392832827.db2.gz XHZXLVWVCFUTMQ-SFHVURJKSA-N 1 1 286.419 3.240 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccc(OC(C)C)cc1 ZINC000191761372 392833910 /nfs/dbraw/zinc/83/39/10/392833910.db2.gz JZNDDBVPYCXNNK-UHFFFAOYSA-N 1 1 263.381 3.108 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC=C(c3ccccn3)C2)c1 ZINC000519862407 392898657 /nfs/dbraw/zinc/89/86/57/392898657.db2.gz USIWBPYEPCCPOK-UHFFFAOYSA-N 1 1 293.345 3.382 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCC=C(c3ccccn3)C2)c1 ZINC000519862407 392898659 /nfs/dbraw/zinc/89/86/59/392898659.db2.gz USIWBPYEPCCPOK-UHFFFAOYSA-N 1 1 293.345 3.382 20 30 CGEDMO C=CC[N@H+](CCOC)C[C@H](OC)c1ccc(Cl)cc1 ZINC000338361286 392912579 /nfs/dbraw/zinc/91/25/79/392912579.db2.gz QUQSSBAGMBJFOF-HNNXBMFYSA-N 1 1 283.799 3.162 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2snnc2C)CCCC1(C)C ZINC000519643788 392876688 /nfs/dbraw/zinc/87/66/88/392876688.db2.gz CJLRWNQPUJKNTG-ZDUSSCGKSA-N 1 1 265.426 3.413 20 30 CGEDMO C[N@@H+](CCOCCC#N)C1CCC(C(C)(C)C)CC1 ZINC000338927830 392935423 /nfs/dbraw/zinc/93/54/23/392935423.db2.gz ZLZZSOHBAPIKCE-UHFFFAOYSA-N 1 1 266.429 3.453 20 30 CGEDMO N#CCCOCC[N@H+]1CCCC2(C1)CCCCCC2 ZINC000339008657 392939123 /nfs/dbraw/zinc/93/91/23/392939123.db2.gz ZQHYTQSFMYWLIU-UHFFFAOYSA-N 1 1 264.413 3.353 20 30 CGEDMO Cc1cc(C)cc([C@@H]2CC[N@@H+](CCOCCC#N)C2)c1 ZINC000339083392 392947850 /nfs/dbraw/zinc/94/78/50/392947850.db2.gz RVKXSQKXCBUFDN-MRXNPFEDSA-N 1 1 272.392 3.023 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@@H](c3c(F)cccc3F)C2)C1 ZINC000339095163 392949937 /nfs/dbraw/zinc/94/99/37/392949937.db2.gz JMJFGRBOGWDQCX-JHJVBQTASA-N 1 1 276.330 3.446 20 30 CGEDMO CC(C)O[C@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000404580272 392968277 /nfs/dbraw/zinc/96/82/77/392968277.db2.gz PKHAFVFUZUQXLC-HNNXBMFYSA-N 1 1 276.355 3.087 20 30 CGEDMO CC(C)O[C@H]1CCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000404582988 392968442 /nfs/dbraw/zinc/96/84/42/392968442.db2.gz RIPHGGLVLLADBI-INIZCTEOSA-N 1 1 276.355 3.087 20 30 CGEDMO CC(C)O[C@H]1CCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000404582988 392968446 /nfs/dbraw/zinc/96/84/46/392968446.db2.gz RIPHGGLVLLADBI-INIZCTEOSA-N 1 1 276.355 3.087 20 30 CGEDMO CC(C)O[C@@H]1CCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000404582989 392968471 /nfs/dbraw/zinc/96/84/71/392968471.db2.gz RIPHGGLVLLADBI-MRXNPFEDSA-N 1 1 276.355 3.087 20 30 CGEDMO CC(C)O[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000404582989 392968478 /nfs/dbraw/zinc/96/84/78/392968478.db2.gz RIPHGGLVLLADBI-MRXNPFEDSA-N 1 1 276.355 3.087 20 30 CGEDMO C[C@@H]1CC[C@@H]([N@@H+](CCO)CCC2(C#N)CCCCC2)C1 ZINC000411653410 392984998 /nfs/dbraw/zinc/98/49/98/392984998.db2.gz VQNIIFBPXQYHOA-HZPDHXFCSA-N 1 1 278.440 3.333 20 30 CGEDMO CC[C@@H]1C[N@H+](CCC2(C#N)CCCCC2)C[C@H](C)[S@]1=O ZINC000411720066 392986184 /nfs/dbraw/zinc/98/61/84/392986184.db2.gz OZSJTMYWTDNYCF-BXTJHSDWSA-N 1 1 296.480 3.082 20 30 CGEDMO CC[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)C[C@H](C)[S@]1=O ZINC000411720066 392986192 /nfs/dbraw/zinc/98/61/92/392986192.db2.gz OZSJTMYWTDNYCF-BXTJHSDWSA-N 1 1 296.480 3.082 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000530962491 392988168 /nfs/dbraw/zinc/98/81/68/392988168.db2.gz XVGFPBOWMBAFQM-KRWDZBQOSA-N 1 1 263.344 3.290 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000530962491 392988172 /nfs/dbraw/zinc/98/81/72/392988172.db2.gz XVGFPBOWMBAFQM-KRWDZBQOSA-N 1 1 263.344 3.290 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000216208705 392988929 /nfs/dbraw/zinc/98/89/29/392988929.db2.gz LEGRXUYKEATBMF-ZDUSSCGKSA-N 1 1 278.371 3.359 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000411989973 392992592 /nfs/dbraw/zinc/99/25/92/392992592.db2.gz SBZIARXYXOVTID-SFHVURJKSA-N 1 1 298.386 3.036 20 30 CGEDMO C=CCC[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412001322 392993262 /nfs/dbraw/zinc/99/32/62/392993262.db2.gz PWXXNDKCVKKRLP-INIZCTEOSA-N 1 1 257.377 3.416 20 30 CGEDMO C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000412076076 392994883 /nfs/dbraw/zinc/99/48/83/392994883.db2.gz JJRXFNBFIOYFRQ-ZBFHGGJFSA-N 1 1 286.419 3.081 20 30 CGEDMO CCC[N@@H+](CCc1cccc(F)c1)CC1(C#N)CC1 ZINC000343312997 393024976 /nfs/dbraw/zinc/02/49/76/393024976.db2.gz FYEXOZBXKYWCMW-UHFFFAOYSA-N 1 1 260.356 3.384 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000347255652 393101639 /nfs/dbraw/zinc/10/16/39/393101639.db2.gz UPBBCYMYBMLTFX-UHFFFAOYSA-N 1 1 254.377 3.474 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccccc1)C[C@@H](O)CCOC(C)C ZINC000348206664 393116194 /nfs/dbraw/zinc/11/61/94/393116194.db2.gz RCHDBAGUDJRATK-SFHVURJKSA-N 1 1 291.435 3.241 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)C[C@H](C)OC)cc1Cl ZINC000348847015 393134552 /nfs/dbraw/zinc/13/45/52/393134552.db2.gz HLCRWZBGKKRRCY-LBPRGKRZSA-N 1 1 283.799 3.372 20 30 CGEDMO C=CCOc1cccc(C[N@H+](CC)CCCN(C)C)c1 ZINC000349381503 393145649 /nfs/dbraw/zinc/14/56/49/393145649.db2.gz GSGLWWVOPYBTAQ-UHFFFAOYSA-N 1 1 276.424 3.025 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](CC)CCCN(C)C)c1 ZINC000349381503 393145654 /nfs/dbraw/zinc/14/56/54/393145654.db2.gz GSGLWWVOPYBTAQ-UHFFFAOYSA-N 1 1 276.424 3.025 20 30 CGEDMO CC[C@H](C)[C@@H](C)[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000268656970 393201160 /nfs/dbraw/zinc/20/11/60/393201160.db2.gz HOXSAEJXYRWVRI-IYOUNJFTSA-N 1 1 286.419 3.491 20 30 CGEDMO C=CCCC1(C(=O)Nc2cc(C)c3[nH+]ccn3c2)CC1 ZINC000355443995 393325149 /nfs/dbraw/zinc/32/51/49/393325149.db2.gz ZKCUCHVGDWZDKC-UHFFFAOYSA-N 1 1 269.348 3.328 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@@](C)(OC)C2)c1 ZINC000355215022 393263172 /nfs/dbraw/zinc/26/31/72/393263172.db2.gz HVRAAFQMBNUNCV-QGZVFWFLSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccc(OC)c(OC)c1 ZINC000649237920 393381988 /nfs/dbraw/zinc/38/19/88/393381988.db2.gz CJTDUYPLMVPDKV-UHFFFAOYSA-N 1 1 263.381 3.492 20 30 CGEDMO CCC[C@H]1[C@@H](C)CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000356123732 393359351 /nfs/dbraw/zinc/35/93/51/393359351.db2.gz ODICXXOULPGKAK-AAEUAGOBSA-N 1 1 263.410 3.415 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+](C)Cc1cccc(Cl)c1Cl ZINC000649223989 393376619 /nfs/dbraw/zinc/37/66/19/393376619.db2.gz UMVZMRAQFOFZPF-LBPRGKRZSA-N 1 1 274.191 3.362 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+](C)Cc1cccc(Cl)c1Cl ZINC000649223989 393376626 /nfs/dbraw/zinc/37/66/26/393376626.db2.gz UMVZMRAQFOFZPF-LBPRGKRZSA-N 1 1 274.191 3.362 20 30 CGEDMO Cc1cccc2c1C[N@@H+](Cc1cccc(C#N)c1)CC2 ZINC000429563887 393481804 /nfs/dbraw/zinc/48/18/04/393481804.db2.gz DCWJVVCPPNSHQC-UHFFFAOYSA-N 1 1 262.356 3.425 20 30 CGEDMO C[C@@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000427011137 393452669 /nfs/dbraw/zinc/45/26/69/393452669.db2.gz CIXRRMSTVAOMGV-GFCCVEGCSA-N 1 1 267.294 3.399 20 30 CGEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@@H]1CC[C@H](C)C1 ZINC000429567401 393482392 /nfs/dbraw/zinc/48/23/92/393482392.db2.gz XMENNIGFTKPGJI-DZGCQCFKSA-N 1 1 288.391 3.066 20 30 CGEDMO C[C@H](O)C[N@@H+](Cc1cccc(F)c1C#N)C1CCCCC1 ZINC000428227215 393460944 /nfs/dbraw/zinc/46/09/44/393460944.db2.gz IAKTYJPFFCEZCO-ZDUSSCGKSA-N 1 1 290.382 3.213 20 30 CGEDMO C[C@@H]1CC[C@H]([N@@H+](C)CCC(=O)Nc2sccc2C#N)C1 ZINC000429568116 393484058 /nfs/dbraw/zinc/48/40/58/393484058.db2.gz NUJHFPSUCYQPCM-YPMHNXCESA-N 1 1 291.420 3.069 20 30 CGEDMO C[C@@H]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000429575667 393485468 /nfs/dbraw/zinc/48/54/68/393485468.db2.gz AECDFECQTNPGKI-CZUORRHYSA-N 1 1 285.391 3.007 20 30 CGEDMO CSc1ccc(OCC[N@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000602978851 542773499 /nfs/dbraw/zinc/77/34/99/542773499.db2.gz XLOQDJUXEZLSJE-CZUORRHYSA-N 1 1 290.432 3.411 20 30 CGEDMO CSc1ccc(OCC[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000602978851 542773501 /nfs/dbraw/zinc/77/35/01/542773501.db2.gz XLOQDJUXEZLSJE-CZUORRHYSA-N 1 1 290.432 3.411 20 30 CGEDMO C=C(CC)CN1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000360627200 393571266 /nfs/dbraw/zinc/57/12/66/393571266.db2.gz KCSXABSLFMXHCN-CQSZACIVSA-N 1 1 264.438 3.393 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)C1(C)CCCC1 ZINC000490204180 393635679 /nfs/dbraw/zinc/63/56/79/393635679.db2.gz SBXVFAZLNSTUPB-UHFFFAOYSA-N 1 1 258.365 3.331 20 30 CGEDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc(C(F)(F)F)cc1C#N ZINC000443502814 393759756 /nfs/dbraw/zinc/75/97/56/393759756.db2.gz SUCIAXRMQSSTOX-QWRGUYRKSA-N 1 1 297.324 3.106 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)[C@H]1C(C)C ZINC000449559763 393903093 /nfs/dbraw/zinc/90/30/93/393903093.db2.gz ZAPKCHLMYQXIEJ-HOTGVXAUSA-N 1 1 259.397 3.009 20 30 CGEDMO CC[C@@H]1CN(CC)CC[N@H+]1CCCCC(C)(C)C#N ZINC000451745665 394047885 /nfs/dbraw/zinc/04/78/85/394047885.db2.gz XXEXJYABYOGNRS-OAHLLOKOSA-N 1 1 265.445 3.123 20 30 CGEDMO CC[C@@H]1C[N@H+](CC)CCN1CCCCC(C)(C)C#N ZINC000451745665 394047888 /nfs/dbraw/zinc/04/78/88/394047888.db2.gz XXEXJYABYOGNRS-OAHLLOKOSA-N 1 1 265.445 3.123 20 30 CGEDMO CC[C@@H]1C[N@@H+](CC)CCN1CCCCC(C)(C)C#N ZINC000451745665 394047890 /nfs/dbraw/zinc/04/78/90/394047890.db2.gz XXEXJYABYOGNRS-OAHLLOKOSA-N 1 1 265.445 3.123 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)Cc1cnn2c1CCC2 ZINC000667484840 542875490 /nfs/dbraw/zinc/87/54/90/542875490.db2.gz ZPZFMQAEGXDQQV-UHFFFAOYSA-N 1 1 273.405 3.079 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)Cc1cnn2c1CCC2 ZINC000667484840 542875492 /nfs/dbraw/zinc/87/54/92/542875492.db2.gz ZPZFMQAEGXDQQV-UHFFFAOYSA-N 1 1 273.405 3.079 20 30 CGEDMO CCCc1ncc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)o1 ZINC000453400103 394233422 /nfs/dbraw/zinc/23/34/22/394233422.db2.gz YIURZFFFLAISSG-INIZCTEOSA-N 1 1 281.359 3.276 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)Cc1cnn2c1CCC2 ZINC000667556851 542888857 /nfs/dbraw/zinc/88/88/57/542888857.db2.gz HPHIWILFNCCZMU-UHFFFAOYSA-N 1 1 281.403 3.060 20 30 CGEDMO C[C@@H]1C[C@@H](C)[NH+]1Cc1cc(C#N)ccc1Br ZINC000548753350 289020696 /nfs/dbraw/zinc/02/06/96/289020696.db2.gz SECGWBNONAEZEX-NXEZZACHSA-N 1 1 279.181 3.303 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000668463159 543016108 /nfs/dbraw/zinc/01/61/08/543016108.db2.gz MWTMUINHLYXMKY-SFHVURJKSA-N 1 1 287.403 3.252 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCO[C@](C)(C2CC2)C1 ZINC000668463159 543016112 /nfs/dbraw/zinc/01/61/12/543016112.db2.gz MWTMUINHLYXMKY-SFHVURJKSA-N 1 1 287.403 3.252 20 30 CGEDMO Cc1ccc(C#N)c(N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)n1 ZINC000359465269 292044309 /nfs/dbraw/zinc/04/43/09/292044309.db2.gz INEJJZUWTPBBKU-UXLLHSPISA-N 1 1 298.434 3.103 20 30 CGEDMO CCC#C[C@@H](C)[NH+]1CCN(c2cncc3ccccc32)CC1 ZINC000670089836 543140856 /nfs/dbraw/zinc/14/08/56/543140856.db2.gz RQUPCDZUNNAKGO-MRXNPFEDSA-N 1 1 293.414 3.159 20 30 CGEDMO C=CCC[C@@H](N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccco1 ZINC000671746815 543185308 /nfs/dbraw/zinc/18/53/08/543185308.db2.gz MDXURZIMMPHIJU-HZPDHXFCSA-N 1 1 274.408 3.361 20 30 CGEDMO C=CCC[C@@H](N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccco1 ZINC000671746815 543185309 /nfs/dbraw/zinc/18/53/09/543185309.db2.gz MDXURZIMMPHIJU-HZPDHXFCSA-N 1 1 274.408 3.361 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCc2ccc(F)cc2[C@H](C)C1 ZINC000649894431 397745886 /nfs/dbraw/zinc/74/58/86/397745886.db2.gz LIRPNMQAGPVBJU-CJNGLKHVSA-N 1 1 277.383 3.114 20 30 CGEDMO C=C(C)[C@H](CO)[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000677047905 543427968 /nfs/dbraw/zinc/42/79/68/543427968.db2.gz JUWRKPYLBGQCNM-KRWDZBQOSA-N 1 1 255.361 3.209 20 30 CGEDMO COCC#CC[N@H+]1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000677132719 543435547 /nfs/dbraw/zinc/43/55/47/543435547.db2.gz OIZBNHPJPMFVSX-SFHVURJKSA-N 1 1 287.403 3.262 20 30 CGEDMO COCC#CC[N@@H+](CCc1ccc(F)cc1)C1CCCC1 ZINC000677818167 543467296 /nfs/dbraw/zinc/46/72/96/543467296.db2.gz GSAWYNQWHHKESB-UHFFFAOYSA-N 1 1 289.394 3.263 20 30 CGEDMO COCC#CC[N@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000677820445 543467822 /nfs/dbraw/zinc/46/78/22/543467822.db2.gz NTSYDIGATHGNKO-INIZCTEOSA-N 1 1 261.340 3.003 20 30 CGEDMO CO[C@H]1CC[N@H+]([C@H](C)c2cccc(C#N)c2)CC1(C)C ZINC000296165618 286061839 /nfs/dbraw/zinc/06/18/39/286061839.db2.gz UQYCXHSNLNVOIB-CJNGLKHVSA-N 1 1 272.392 3.366 20 30 CGEDMO CC[C@H]1CCC[N@@H+](CCOc2cccc(C#N)c2)CC1 ZINC000079054519 287053617 /nfs/dbraw/zinc/05/36/17/287053617.db2.gz NXNHLHZTQZEHLT-HNNXBMFYSA-N 1 1 272.392 3.449 20 30 CGEDMO CC(C)[C@@H]1CCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000063619200 165029894 /nfs/dbraw/zinc/02/98/94/165029894.db2.gz IXKMGNHXVXFJQS-INIZCTEOSA-N 1 1 258.365 3.057 20 30 CGEDMO CC(C)[N@@H+](CCc1ccccn1)Cc1ccc(C#N)cc1 ZINC000063751244 165030618 /nfs/dbraw/zinc/03/06/18/165030618.db2.gz SUKYUSXJUVDKRI-UHFFFAOYSA-N 1 1 279.387 3.406 20 30 CGEDMO CCC[N@@H+](CCc1ccccn1)Cc1ccc(C#N)cc1 ZINC000076995348 165117415 /nfs/dbraw/zinc/11/74/15/165117415.db2.gz UXSJMULDEKTQIV-UHFFFAOYSA-N 1 1 279.387 3.408 20 30 CGEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H](C)CC1 ZINC000077272296 165119047 /nfs/dbraw/zinc/11/90/47/165119047.db2.gz ZSMADYRWGXWSHT-AWEZNQCLSA-N 1 1 288.391 3.068 20 30 CGEDMO COc1ccc(C[N@@H+](C)Cc2cccc(F)c2)cc1C#N ZINC000087833124 165189860 /nfs/dbraw/zinc/18/98/60/165189860.db2.gz AFBXDKDPBYRQKN-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO CC(=O)Nc1ccc(C[N@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000127387662 287286837 /nfs/dbraw/zinc/28/68/37/287286837.db2.gz VPZAEBZCIQHZNJ-UHFFFAOYSA-N 1 1 293.370 3.149 20 30 CGEDMO C[C@@H](CNc1cccc(F)c1C#N)[N@H+]1CCC[C@H](C)C1 ZINC000071954250 176304493 /nfs/dbraw/zinc/30/44/93/176304493.db2.gz NPHIRKILUGDKNF-STQMWFEESA-N 1 1 275.371 3.230 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1cccc(CC)c1 ZINC000048617496 416457139 /nfs/dbraw/zinc/45/71/39/416457139.db2.gz VLUIABJZOVCBIP-UHFFFAOYSA-N 1 1 260.381 3.086 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1cccc(CC)c1 ZINC000048617496 416457144 /nfs/dbraw/zinc/45/71/44/416457144.db2.gz VLUIABJZOVCBIP-UHFFFAOYSA-N 1 1 260.381 3.086 20 30 CGEDMO Cc1ccc(Br)cc1C[N@@H+](C)[C@@H](C)CC#N ZINC000313764750 416535686 /nfs/dbraw/zinc/53/56/86/416535686.db2.gz DXYWAZQRUHVIHM-NSHDSACASA-N 1 1 281.197 3.492 20 30 CGEDMO Cc1ccc(Br)cc1C[N@H+](C)[C@@H](C)CC#N ZINC000313764750 416535689 /nfs/dbraw/zinc/53/56/89/416535689.db2.gz DXYWAZQRUHVIHM-NSHDSACASA-N 1 1 281.197 3.492 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000679226271 543604265 /nfs/dbraw/zinc/60/42/65/543604265.db2.gz OMQYJKOCGOEBBN-PBHICJAKSA-N 1 1 277.383 3.332 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)c1 ZINC000679358617 543627445 /nfs/dbraw/zinc/62/74/45/543627445.db2.gz LBQCSXUOJDBIEI-CJNGLKHVSA-N 1 1 263.356 3.431 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)c1 ZINC000679358617 543627450 /nfs/dbraw/zinc/62/74/50/543627450.db2.gz LBQCSXUOJDBIEI-CJNGLKHVSA-N 1 1 263.356 3.431 20 30 CGEDMO COCC#CC[NH2+][C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000680418997 543710133 /nfs/dbraw/zinc/71/01/33/543710133.db2.gz PHOWQYDLTOODBN-ZDUSSCGKSA-N 1 1 286.400 3.111 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)s1)Cc1cccc(C#N)c1 ZINC000130778367 287362999 /nfs/dbraw/zinc/36/29/99/287362999.db2.gz DNOMDICVQHTFDZ-UHFFFAOYSA-N 1 1 267.357 3.123 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)s1)Cc1cccc(C#N)c1 ZINC000130778367 287363000 /nfs/dbraw/zinc/36/30/00/287363000.db2.gz DNOMDICVQHTFDZ-UHFFFAOYSA-N 1 1 267.357 3.123 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000131927790 287393168 /nfs/dbraw/zinc/39/31/68/287393168.db2.gz KYZWSUPMBZLZIZ-KSSFIOAISA-N 1 1 293.370 3.168 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCC23CCOCC3)cc1 ZINC000683718782 543934767 /nfs/dbraw/zinc/93/47/67/543934767.db2.gz PUCYCFZFKBLNPW-UHFFFAOYSA-N 1 1 273.376 3.006 20 30 CGEDMO CC#CCCCC(=O)NCCC[N@H+](CC)C1CCCCC1 ZINC000650373506 418935581 /nfs/dbraw/zinc/93/55/81/418935581.db2.gz YWTGLYHOXPRHDB-UHFFFAOYSA-N 1 1 292.467 3.341 20 30 CGEDMO C=CCCn1cc(C[N@H+](C)C2CCC(CC)CC2)nn1 ZINC000653564043 419050349 /nfs/dbraw/zinc/05/03/49/419050349.db2.gz MNSUEIBNSZXQHG-UHFFFAOYSA-N 1 1 276.428 3.255 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CCC[C@H](C)[C@H]2CCC)nn1 ZINC000653582192 419053897 /nfs/dbraw/zinc/05/38/97/419053897.db2.gz BCDCQRQOIAURDR-GOEBONIOSA-N 1 1 276.428 3.255 20 30 CGEDMO CC(=O)c1ccc(C#N)c(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000656224826 419154769 /nfs/dbraw/zinc/15/47/69/419154769.db2.gz AAZPTFLNKJGCNK-SJLPKXTDSA-N 1 1 297.402 3.190 20 30 CGEDMO C=CC[N@H+](Cc1cc(-c2ccccc2)on1)[C@H](C)COC ZINC000661246206 419244520 /nfs/dbraw/zinc/24/45/20/419244520.db2.gz GKXYDCPKUHBHGQ-CQSZACIVSA-N 1 1 286.375 3.365 20 30 CGEDMO C=CC[N@@H+](Cc1cc(-c2ccccc2)on1)[C@H](C)COC ZINC000661246206 419244523 /nfs/dbraw/zinc/24/45/23/419244523.db2.gz GKXYDCPKUHBHGQ-CQSZACIVSA-N 1 1 286.375 3.365 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000661381947 419255064 /nfs/dbraw/zinc/25/50/64/419255064.db2.gz QOQGSARFIIMZRH-CQSZACIVSA-N 1 1 297.402 3.166 20 30 CGEDMO OC1([C@H]2CCCC[N@H+]2CC#Cc2cccc(Cl)c2)CC1 ZINC000656708103 419205545 /nfs/dbraw/zinc/20/55/45/419205545.db2.gz BQIGQVSDNAYAGU-MRXNPFEDSA-N 1 1 289.806 3.071 20 30 CGEDMO C=C(C)CN1CC[N@@H+](CC(=C)C)Cc2cc(O)ccc21 ZINC000661022515 419221845 /nfs/dbraw/zinc/22/18/45/419221845.db2.gz XVDPCWWJNVKURB-UHFFFAOYSA-N 1 1 272.392 3.166 20 30 CGEDMO C=CCC1(C[NH2+]Cc2ccnn2-c2ccncc2)CCCC1 ZINC000657485481 419291157 /nfs/dbraw/zinc/29/11/57/419291157.db2.gz JWNSMBYGZNJRKO-UHFFFAOYSA-N 1 1 296.418 3.493 20 30 CGEDMO COc1ncc(C)cc1NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000329877018 227973417 /nfs/dbraw/zinc/97/34/17/227973417.db2.gz IRSIQJUUGFPUSD-CYBMUJFWSA-N 1 1 291.395 3.251 20 30 CGEDMO C=CCC1([NH2+]Cc2noc(C(C)(C)C)n2)CCCC1 ZINC000661848275 419304596 /nfs/dbraw/zinc/30/45/96/419304596.db2.gz JYMGFNSZHFMQJV-UHFFFAOYSA-N 1 1 263.385 3.346 20 30 CGEDMO N#Cc1ccc(C[NH+]2CCC(OC3CCC3)CC2)c(F)c1 ZINC000418091067 228026548 /nfs/dbraw/zinc/02/65/48/228026548.db2.gz MOKPDCLQHZVNGO-UHFFFAOYSA-N 1 1 288.366 3.231 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000662078325 419332974 /nfs/dbraw/zinc/33/29/74/419332974.db2.gz ALUZZVAZVYAFFN-BHYGNILZSA-N 1 1 296.414 3.147 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1nc(C2CC2)no1 ZINC000662079207 419333102 /nfs/dbraw/zinc/33/31/02/419333102.db2.gz IFHIYVJXCCQYLT-WCFLWFBJSA-N 1 1 259.353 3.191 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1ccccc1C(C)=O ZINC000662078528 419333505 /nfs/dbraw/zinc/33/35/05/419333505.db2.gz HYHHRKUBCYSFSI-IYBDPMFKSA-N 1 1 285.387 3.451 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)Nc1c(C)cccc1C ZINC000662085392 419334152 /nfs/dbraw/zinc/33/41/52/419334152.db2.gz GNKXWDWLYDYDPC-IYBDPMFKSA-N 1 1 284.403 3.425 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000662084883 419334723 /nfs/dbraw/zinc/33/47/23/419334723.db2.gz XXBCAUATZIEWQD-NCOADZHNSA-N 1 1 290.451 3.207 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc(-c2cc(C)ccn2)no1 ZINC000662088643 419334816 /nfs/dbraw/zinc/33/48/16/419334816.db2.gz LTJUVURZDOCVPG-OKILXGFUSA-N 1 1 296.374 3.123 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(C)cc(C)nc1OC ZINC000662089734 419335018 /nfs/dbraw/zinc/33/50/18/419335018.db2.gz DMZVTMZYMKTTEL-GASCZTMLSA-N 1 1 272.392 3.390 20 30 CGEDMO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCN(C)C1 ZINC000657876450 419399538 /nfs/dbraw/zinc/39/95/38/419399538.db2.gz MCLCUPCKFCGEII-ARFHVFGLSA-N 1 1 250.430 3.053 20 30 CGEDMO C=C[C@@H]1OCC[C@H]1CNc1cc(C(F)(F)F)cc(C)[nH+]1 ZINC000664033414 419805855 /nfs/dbraw/zinc/80/58/55/419805855.db2.gz VKDVXQVVDJDVOG-JQWIXIFHSA-N 1 1 286.297 3.412 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](CC(C)C)C(C)C ZINC000179655909 260062272 /nfs/dbraw/zinc/06/22/72/260062272.db2.gz KGSSUFRINISUQW-UHFFFAOYSA-N 1 1 260.381 3.433 20 30 CGEDMO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1cccc(C)c1C ZINC000297974532 260139873 /nfs/dbraw/zinc/13/98/73/260139873.db2.gz VOVWFLUBCSJXTN-HNNXBMFYSA-N 1 1 272.392 3.304 20 30 CGEDMO C=CCc1ccccc1OCCCn1cc[nH+]c1C ZINC000298509391 260156088 /nfs/dbraw/zinc/15/60/88/260156088.db2.gz MTEMHYKRTYEGEN-UHFFFAOYSA-N 1 1 256.349 3.389 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000054182030 260216808 /nfs/dbraw/zinc/21/68/08/260216808.db2.gz KRFHOFKNNQDOLD-LBPRGKRZSA-N 1 1 256.271 3.487 20 30 CGEDMO Cc1ccccc1[C@@H]1C[N@H+](CCCC#N)[C@H](C)CO1 ZINC000075784290 260291881 /nfs/dbraw/zinc/29/18/81/260291881.db2.gz YMUPOWYNFHROJW-ZBFHGGJFSA-N 1 1 258.365 3.061 20 30 CGEDMO Cc1ccccc1[C@@H]1C[N@@H+](CCCC#N)[C@H](C)CO1 ZINC000075784290 260291882 /nfs/dbraw/zinc/29/18/82/260291882.db2.gz YMUPOWYNFHROJW-ZBFHGGJFSA-N 1 1 258.365 3.061 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H]1CCCC[C@H]1O ZINC000517833141 260310442 /nfs/dbraw/zinc/31/04/42/260310442.db2.gz ULFJDHHISNXXMD-QZTJIDSGSA-N 1 1 284.403 3.097 20 30 CGEDMO Cc1cc(CNC[C@@H](C)C[NH+]2CCCCC2)ccc1C#N ZINC000443979602 260943553 /nfs/dbraw/zinc/94/35/53/260943553.db2.gz KYADFIOEQBXOAA-OAHLLOKOSA-N 1 1 285.435 3.078 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+](CC)[C@@H]1CCCC[C@H]1C ZINC000444670119 261061139 /nfs/dbraw/zinc/06/11/39/261061139.db2.gz FCKQHTXAAYGBKB-HZPDHXFCSA-N 1 1 278.440 3.088 20 30 CGEDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc(C#N)s2)cc1 ZINC000155193822 261099567 /nfs/dbraw/zinc/09/95/67/261099567.db2.gz OORMBOFPWCKYPU-UHFFFAOYSA-N 1 1 285.416 3.318 20 30 CGEDMO C=C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000309921175 262053015 /nfs/dbraw/zinc/05/30/15/262053015.db2.gz QXAJFUUTHMZGJI-LEUOFYLZSA-N 1 1 270.420 3.061 20 30 CGEDMO CN(C)C1(C[N@H+](C)Cc2ccccc2C(C)(C)C#N)CCC1 ZINC000186962991 262118473 /nfs/dbraw/zinc/11/84/73/262118473.db2.gz TXGIPRXZCNPALI-UHFFFAOYSA-N 1 1 299.462 3.404 20 30 CGEDMO CN(C)C1(C[N@@H+](C)Cc2ccccc2C(C)(C)C#N)CCC1 ZINC000186962991 262118474 /nfs/dbraw/zinc/11/84/74/262118474.db2.gz TXGIPRXZCNPALI-UHFFFAOYSA-N 1 1 299.462 3.404 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000364671769 262256692 /nfs/dbraw/zinc/25/66/92/262256692.db2.gz ASGUTSQLRLZBGX-MSOLQXFVSA-N 1 1 298.430 3.218 20 30 CGEDMO Cn1cc(C[N@H+](C)CC(C)(C)C#N)c(-c2ccccc2)n1 ZINC000354017976 262276153 /nfs/dbraw/zinc/27/61/53/262276153.db2.gz NJYLFEZHSINRHR-UHFFFAOYSA-N 1 1 282.391 3.069 20 30 CGEDMO Cn1cc(C[N@@H+](C)CC(C)(C)C#N)c(-c2ccccc2)n1 ZINC000354017976 262276154 /nfs/dbraw/zinc/27/61/54/262276154.db2.gz NJYLFEZHSINRHR-UHFFFAOYSA-N 1 1 282.391 3.069 20 30 CGEDMO N#CC1(C[NH2+][C@H]2CCCc3c(O)cccc32)CCC1 ZINC000334617189 262276669 /nfs/dbraw/zinc/27/66/69/262276669.db2.gz CHBBTPLMURESKK-AWEZNQCLSA-N 1 1 256.349 3.053 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000365252554 262354867 /nfs/dbraw/zinc/35/48/67/262354867.db2.gz CKYDAPXFEPWLBR-OALUTQOASA-N 1 1 283.415 3.177 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000365252558 262355035 /nfs/dbraw/zinc/35/50/35/262355035.db2.gz CKYDAPXFEPWLBR-RTBURBONSA-N 1 1 283.415 3.177 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000411143404 262680856 /nfs/dbraw/zinc/68/08/56/262680856.db2.gz HZEPQBNXTNUOBB-GJZGRUSLSA-N 1 1 285.391 3.029 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000272058829 263001794 /nfs/dbraw/zinc/00/17/94/263001794.db2.gz WFEWBCWPYRWYGQ-ZIAGYGMSSA-N 1 1 276.380 3.107 20 30 CGEDMO N#CCCCC[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000272534079 263005950 /nfs/dbraw/zinc/00/59/50/263005950.db2.gz ITEWEBGAMCZCGK-OAHLLOKOSA-N 1 1 258.365 3.081 20 30 CGEDMO C[C@@H](CCC#N)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000276254965 263035298 /nfs/dbraw/zinc/03/52/98/263035298.db2.gz ADEIPUNRTPVIST-DLBZAZTESA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@@H](CCC#N)[N@@H+]1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000276254965 263035299 /nfs/dbraw/zinc/03/52/99/263035299.db2.gz ADEIPUNRTPVIST-DLBZAZTESA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000276254965 263035300 /nfs/dbraw/zinc/03/53/00/263035300.db2.gz ADEIPUNRTPVIST-DLBZAZTESA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@@H](CCC#N)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000276254978 263035363 /nfs/dbraw/zinc/03/53/63/263035363.db2.gz ADEIPUNRTPVIST-IRXDYDNUSA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@@H](CCC#N)[N@@H+]1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000276254978 263035364 /nfs/dbraw/zinc/03/53/64/263035364.db2.gz ADEIPUNRTPVIST-IRXDYDNUSA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000276254978 263035365 /nfs/dbraw/zinc/03/53/65/263035365.db2.gz ADEIPUNRTPVIST-IRXDYDNUSA-N 1 1 285.435 3.275 20 30 CGEDMO COc1cccc2c(NCCCC#N)c(C)c[nH+]c12 ZINC000276225601 263035435 /nfs/dbraw/zinc/03/54/35/263035435.db2.gz LQTWIRZGIYDFJV-UHFFFAOYSA-N 1 1 255.321 3.268 20 30 CGEDMO Cc1ccccc1OCCC[N@H+](C)[C@H](C)CCC#N ZINC000276342692 263036294 /nfs/dbraw/zinc/03/62/94/263036294.db2.gz UMFKZPFPKSBPKD-OAHLLOKOSA-N 1 1 260.381 3.388 20 30 CGEDMO C[N@@H+](CCOc1cccc(Cl)c1)[C@H]1CC[C@@H](C#N)C1 ZINC000278525510 263048579 /nfs/dbraw/zinc/04/85/79/263048579.db2.gz DEMRRKQZUUTQHO-OCCSQVGLSA-N 1 1 278.783 3.343 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000278930967 263052118 /nfs/dbraw/zinc/05/21/18/263052118.db2.gz WGEDRPFORXIJAR-ZDUSSCGKSA-N 1 1 291.370 3.004 20 30 CGEDMO CC1(C#N)CC[NH+](Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000280277616 263060103 /nfs/dbraw/zinc/06/01/03/263060103.db2.gz MNFICAFJFCQAGH-UHFFFAOYSA-N 1 1 298.365 3.137 20 30 CGEDMO C[N@@H+](Cc1ccc(Br)o1)[C@H]1CC[C@@H](C#N)C1 ZINC000280954831 263065491 /nfs/dbraw/zinc/06/54/91/263065491.db2.gz JBRFNYADBKLBOO-ZJUUUORDSA-N 1 1 283.169 3.166 20 30 CGEDMO Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2CCCC(C)(C)C#N ZINC000283757784 263084024 /nfs/dbraw/zinc/08/40/24/263084024.db2.gz MFVBLGRKKABKBY-CVEARBPZSA-N 1 1 298.434 3.370 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC000340229912 263098408 /nfs/dbraw/zinc/09/84/08/263098408.db2.gz AXSNRVKZZMYIHJ-OAHLLOKOSA-N 1 1 259.393 3.107 20 30 CGEDMO CC[C@](C)(C#N)C(=O)Nc1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC000291156775 263120522 /nfs/dbraw/zinc/12/05/22/263120522.db2.gz HWVHEPBSOVVIKK-QGZVFWFLSA-N 1 1 296.374 3.368 20 30 CGEDMO CC(C)(C)[N@@H+](CCOCCC#N)Cc1ccccc1 ZINC000292831508 263135510 /nfs/dbraw/zinc/13/55/10/263135510.db2.gz OUPNVSQTQRCXEU-UHFFFAOYSA-N 1 1 260.381 3.217 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1c1cccc(C)c1 ZINC000340409399 263136877 /nfs/dbraw/zinc/13/68/77/263136877.db2.gz WPNXMOGTLHWFLK-SFHVURJKSA-N 1 1 298.430 3.333 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@H](Cc3ccc(F)cc3)C2)C1 ZINC000293209826 263138688 /nfs/dbraw/zinc/13/86/88/263138688.db2.gz UWJLFMZOBRABEL-INMHGKMJSA-N 1 1 272.367 3.382 20 30 CGEDMO C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](CCOCCC#N)C2CC2)o1 ZINC000293441008 263140563 /nfs/dbraw/zinc/14/05/63/263140563.db2.gz JXFBIAIDFFCSGP-CJNGLKHVSA-N 1 1 288.391 3.298 20 30 CGEDMO CC1(C)C[N@H+]([C@H]2CC[C@@H](C#N)C2)Cc2ccccc2O1 ZINC000293539333 263142850 /nfs/dbraw/zinc/14/28/50/263142850.db2.gz KBRBWKDCBLWFBK-HIFRSBDPSA-N 1 1 270.376 3.352 20 30 CGEDMO CCc1ccc(C[N@@H+](CCOCCC#N)C2CC2)cc1 ZINC000293669103 263146310 /nfs/dbraw/zinc/14/63/10/263146310.db2.gz ZHOPQFRJTFKKIK-UHFFFAOYSA-N 1 1 272.392 3.144 20 30 CGEDMO C=C[C@@H](CO)[NH2+][C@H](C)c1nc(-c2ccccc2)cs1 ZINC000353569986 263174925 /nfs/dbraw/zinc/17/49/25/263174925.db2.gz CVXCDSDINGJSDI-YPMHNXCESA-N 1 1 274.389 3.008 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H]1COc1ccccc1 ZINC000296409053 263191027 /nfs/dbraw/zinc/19/10/27/263191027.db2.gz UHZMYEOVHVKARG-HNNXBMFYSA-N 1 1 272.392 3.470 20 30 CGEDMO C[N@@H+](CCOCCC#N)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000297379977 263204349 /nfs/dbraw/zinc/20/43/49/263204349.db2.gz AJYBGJRVTVAIKP-IAGOWNOFSA-N 1 1 272.392 3.185 20 30 CGEDMO COc1ccccc1[C@@H]1CC[N@H+]([C@H](C)CCC#N)C1 ZINC000299277015 263237442 /nfs/dbraw/zinc/23/74/42/263237442.db2.gz MSCWVLPCAPIOIG-ZIAGYGMSSA-N 1 1 258.365 3.177 20 30 CGEDMO C=C1CC[NH+](CC(=O)N[C@H](CCC)c2ccccc2)CC1 ZINC000341992395 263382312 /nfs/dbraw/zinc/38/23/12/263382312.db2.gz IXOZQQPNJIJMSL-QGZVFWFLSA-N 1 1 286.419 3.296 20 30 CGEDMO C=CC[C@H]1[N@@H+](CCn2cc(C)cn2)CCCC1(C)C ZINC000342181629 263393940 /nfs/dbraw/zinc/39/39/40/263393940.db2.gz ZTQKXHJYQSRWER-OAHLLOKOSA-N 1 1 261.413 3.258 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)N1CCc2sccc2[C@H]1CC ZINC000342728681 263480486 /nfs/dbraw/zinc/48/04/86/263480486.db2.gz IJHCKQVQYSGBHR-CQSZACIVSA-N 1 1 292.448 3.092 20 30 CGEDMO N#C[C@H]1CC[C@H]([NH2+]Cc2cc(-c3ccccc3)on2)C1 ZINC000425953678 264071559 /nfs/dbraw/zinc/07/15/59/264071559.db2.gz SVYAIUAEWQPCLO-JSGCOSHPSA-N 1 1 267.332 3.123 20 30 CGEDMO C=CC[N@H+](Cc1ccc(Cl)s1)CC(OC)OC ZINC000160375968 264241200 /nfs/dbraw/zinc/24/12/00/264241200.db2.gz IGNZBUZJJRZECJ-UHFFFAOYSA-N 1 1 275.801 3.008 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)CC(OC)OC ZINC000160375968 264241201 /nfs/dbraw/zinc/24/12/01/264241201.db2.gz IGNZBUZJJRZECJ-UHFFFAOYSA-N 1 1 275.801 3.008 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253198140 264322911 /nfs/dbraw/zinc/32/29/11/264322911.db2.gz AELNSGCBGJBYLQ-ARFHVFGLSA-N 1 1 251.414 3.358 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)[C@@H]2CCSC2)cc1OC ZINC000130570568 264359578 /nfs/dbraw/zinc/35/95/78/264359578.db2.gz ZYCVOXMGZIZLDO-CQSZACIVSA-N 1 1 293.432 3.197 20 30 CGEDMO CO[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)[C@H](C)C1 ZINC000282371945 264501430 /nfs/dbraw/zinc/50/14/30/264501430.db2.gz NXJXHODDDGMKPZ-CZUORRHYSA-N 1 1 277.795 3.191 20 30 CGEDMO CC(C)C[N@@H+](CCCOc1cccc(C#N)c1)C1CC1 ZINC000042557037 270033112 /nfs/dbraw/zinc/03/31/12/270033112.db2.gz YRVVMSDRCUOWDS-UHFFFAOYSA-N 1 1 272.392 3.448 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]Cc1oc(CC)nc1C ZINC000314770332 266013932 /nfs/dbraw/zinc/01/39/32/266013932.db2.gz OWTSTPYRLQDZOM-UHFFFAOYSA-N 1 1 286.375 3.400 20 30 CGEDMO C=CCCC1(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000356252354 266080909 /nfs/dbraw/zinc/08/09/09/266080909.db2.gz VAYHQZWGWJWXRM-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000357046138 266238658 /nfs/dbraw/zinc/23/86/58/266238658.db2.gz UNWKHTPOMFVGCN-CVEARBPZSA-N 1 1 290.451 3.088 20 30 CGEDMO C[C@H]1C[C@H](C)[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000525410477 270119923 /nfs/dbraw/zinc/11/99/23/270119923.db2.gz HMAGVPIKFDEGHS-STQMWFEESA-N 1 1 253.349 3.041 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000359541950 266599118 /nfs/dbraw/zinc/59/91/18/266599118.db2.gz DZNAVPWDECDULU-SOLBZPMBSA-N 1 1 290.451 3.088 20 30 CGEDMO COc1ccccc1C[C@H]1CCC[N@H+]1CCCCC#N ZINC000363201055 267079553 /nfs/dbraw/zinc/07/95/53/267079553.db2.gz VCGAQFPKKVYSPW-MRXNPFEDSA-N 1 1 272.392 3.396 20 30 CGEDMO CC#CCC[N@@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000368139749 267147855 /nfs/dbraw/zinc/14/78/55/267147855.db2.gz URSCBTDLEYSYRM-OAHLLOKOSA-N 1 1 295.329 3.075 20 30 CGEDMO CC#CCC[N@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000368139749 267147857 /nfs/dbraw/zinc/14/78/57/267147857.db2.gz URSCBTDLEYSYRM-OAHLLOKOSA-N 1 1 295.329 3.075 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000368439658 267172828 /nfs/dbraw/zinc/17/28/28/267172828.db2.gz WVNIJUJXRLFYDF-LSDHHAIUSA-N 1 1 264.413 3.065 20 30 CGEDMO N#CCC[C@H](C#N)C[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000369242381 267229200 /nfs/dbraw/zinc/22/92/00/267229200.db2.gz JDSIQZVNKBRRIW-QZTJIDSGSA-N 1 1 281.403 3.385 20 30 CGEDMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000336224674 267252326 /nfs/dbraw/zinc/25/23/26/267252326.db2.gz AIGWEYMHUUEYGG-GXFFZTMASA-N 1 1 268.282 3.331 20 30 CGEDMO N#CCSCCC[N@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC000369838312 267270788 /nfs/dbraw/zinc/27/07/88/267270788.db2.gz SUWVSPIMMJQKFN-MRXNPFEDSA-N 1 1 290.432 3.177 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C(C1CC1)C1CC1 ZINC000519817089 267314365 /nfs/dbraw/zinc/31/43/65/267314365.db2.gz BHLQAORVYANRMN-UHFFFAOYSA-N 1 1 285.347 3.087 20 30 CGEDMO COc1cc(C[NH2+]CC2(C#N)CCC2)cc(Cl)c1OC ZINC000418145333 267366577 /nfs/dbraw/zinc/36/65/77/267366577.db2.gz XMHXXEZVSDSWGV-UHFFFAOYSA-N 1 1 294.782 3.141 20 30 CGEDMO C[C@@H]1CC(F)(F)CC[N@H+]1CCOc1ccccc1C#N ZINC000528771766 270172246 /nfs/dbraw/zinc/17/22/46/270172246.db2.gz ZTQKUYZJPFZUKN-GFCCVEGCSA-N 1 1 280.318 3.057 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000377157897 268051762 /nfs/dbraw/zinc/05/17/62/268051762.db2.gz NEQHMTHXAZGDRO-KURKYZTESA-N 1 1 271.404 3.457 20 30 CGEDMO C=C1CC[NH+](C[C@@H](O)c2ccccc2Cl)CC1 ZINC000264455500 275420830 /nfs/dbraw/zinc/42/08/30/275420830.db2.gz JBRKJRYKTVMTKF-CQSZACIVSA-N 1 1 251.757 3.025 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CC[C@H](C)O1 ZINC000190383427 276255542 /nfs/dbraw/zinc/25/55/42/276255542.db2.gz RPWUFQWSHARCGG-YOEHRIQHSA-N 1 1 272.392 3.338 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000365677037 278306268 /nfs/dbraw/zinc/30/62/68/278306268.db2.gz KYZWSUPMBZLZIZ-RDTXWAMCSA-N 1 1 293.370 3.168 20 30 CGEDMO Cc1ccc2cc[nH+]c(N3CCC(C#N)CC3)c2c1 ZINC000335476186 281147429 /nfs/dbraw/zinc/14/74/29/281147429.db2.gz MDUNZZDWZUNZRV-UHFFFAOYSA-N 1 1 251.333 3.283 20 30 CGEDMO CC[C@H]1C[N@@H+]([C@@H](C)c2cccc(C#N)c2)C[C@H](C)O1 ZINC000187154418 281174313 /nfs/dbraw/zinc/17/43/13/281174313.db2.gz SHUIWLGHMIAEBO-XEZPLFJOSA-N 1 1 258.365 3.119 20 30 CGEDMO CC[C@H]1C[N@H+]([C@@H](C)c2cccc(C#N)c2)C[C@H](C)O1 ZINC000187154418 281174314 /nfs/dbraw/zinc/17/43/14/281174314.db2.gz SHUIWLGHMIAEBO-XEZPLFJOSA-N 1 1 258.365 3.119 20 30 CGEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1[C@H](C)C[C@H]1C ZINC000547769606 288975627 /nfs/dbraw/zinc/97/56/27/288975627.db2.gz CLMRIELNVAWATE-GMTAPVOTSA-N 1 1 291.782 3.021 20 30 CGEDMO C[C@H]([NH2+][C@@H](c1nccn1C)C1CC1)c1ccc(C#N)cc1 ZINC000353875000 289998719 /nfs/dbraw/zinc/99/87/19/289998719.db2.gz YTKWNGCKRPAPMU-BLLLJJGKSA-N 1 1 280.375 3.094 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000292372047 290219841 /nfs/dbraw/zinc/21/98/41/290219841.db2.gz RARPRZGAOGZDKS-JKSUJKDBSA-N 1 1 297.446 3.425 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451695325 290245609 /nfs/dbraw/zinc/24/56/09/290245609.db2.gz DOGFWGQMTRHYHO-BNEJOLLZSA-N 1 1 284.403 3.102 20 30 CGEDMO CC[C@H]([NH2+]CC1(C#N)CC1)c1ccc(OC)c(OC)c1 ZINC000352242920 328746932 /nfs/dbraw/zinc/74/69/32/328746932.db2.gz UFBGYQXEOPXMCN-ZDUSSCGKSA-N 1 1 274.364 3.048 20 30 CGEDMO CC[C@]1(C)COCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000534118570 328036284 /nfs/dbraw/zinc/03/62/84/328036284.db2.gz RHHGFJIVSPRQPK-GOSISDBHSA-N 1 1 286.419 3.489 20 30 CGEDMO C=CCCCCCNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000567121303 328054440 /nfs/dbraw/zinc/05/44/40/328054440.db2.gz ANPIGHMIIVLREO-MRXNPFEDSA-N 1 1 295.471 3.249 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(C(=O)OC(C)C)cc1 ZINC000563546839 328072892 /nfs/dbraw/zinc/07/28/92/328072892.db2.gz KFJWFORNHOTVNI-OAHLLOKOSA-N 1 1 274.364 3.034 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000571231544 328094250 /nfs/dbraw/zinc/09/42/50/328094250.db2.gz PSWKOEJCQXWERU-IAQYHMDHSA-N 1 1 273.767 3.360 20 30 CGEDMO C=CC[N@H+](CCc1cccc(C)n1)Cc1cccc(C#N)c1 ZINC000571320731 328105146 /nfs/dbraw/zinc/10/51/46/328105146.db2.gz OJGHFTRERPARKB-UHFFFAOYSA-N 1 1 291.398 3.492 20 30 CGEDMO C[N@@H+](CCCC#N)CCOc1ccc(Br)cc1 ZINC000265928340 328167328 /nfs/dbraw/zinc/16/73/28/328167328.db2.gz ZQZKFGCASCBNGU-UHFFFAOYSA-N 1 1 297.196 3.063 20 30 CGEDMO NC(CCCc1ccccc1)=[NH+]OCc1cncc(F)c1 ZINC000281008106 328238052 /nfs/dbraw/zinc/23/80/52/328238052.db2.gz NZKLPCYASHMKHG-UHFFFAOYSA-N 1 1 287.338 3.032 20 30 CGEDMO C=C(C)C[N@H+](C)CCC(=O)Nc1cc(Cl)ccc1OC ZINC000181329379 329231629 /nfs/dbraw/zinc/23/16/29/329231629.db2.gz PNSYGVHYROIVRI-UHFFFAOYSA-N 1 1 296.798 3.185 20 30 CGEDMO C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@H+]1CCOCCC#N ZINC000296554401 328291211 /nfs/dbraw/zinc/29/12/11/328291211.db2.gz CCOYZNVJEGOIDP-INMHGKMJSA-N 1 1 272.392 3.183 20 30 CGEDMO CC[N@H+](CC(=O)Nc1c(C)cccc1C)[C@@H](C)CCC#N ZINC000297783999 328294546 /nfs/dbraw/zinc/29/45/46/328294546.db2.gz AFLPLAPTEPLHSL-HNNXBMFYSA-N 1 1 287.407 3.256 20 30 CGEDMO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)[C@@H](C)CCC#N ZINC000297783999 328294548 /nfs/dbraw/zinc/29/45/48/328294548.db2.gz AFLPLAPTEPLHSL-HNNXBMFYSA-N 1 1 287.407 3.256 20 30 CGEDMO CCC[C@@]1(C)CCC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000565421708 322077115 /nfs/dbraw/zinc/07/71/15/322077115.db2.gz AWFGBMOYDVBMQQ-KRWDZBQOSA-N 1 1 297.406 3.003 20 30 CGEDMO CC(C)[N@@H+](C)C[C@@H](O)CSc1ccc(C#N)cc1Cl ZINC000565962386 322098883 /nfs/dbraw/zinc/09/88/83/322098883.db2.gz ISGIDRRMRXDETR-GFCCVEGCSA-N 1 1 298.839 3.005 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000567811260 322178781 /nfs/dbraw/zinc/17/87/81/322178781.db2.gz ZWMGHCPTOIBEHZ-KBPBESRZSA-N 1 1 270.376 3.263 20 30 CGEDMO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000569226637 322239955 /nfs/dbraw/zinc/23/99/55/322239955.db2.gz OHPOXIZAXLPVOK-VXGBXAGGSA-N 1 1 273.336 3.087 20 30 CGEDMO CC[C@H](C)[C@H](C)[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000569464496 322248168 /nfs/dbraw/zinc/24/81/68/322248168.db2.gz HTLXCZBQVCOERC-KBPBESRZSA-N 1 1 299.418 3.396 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000573492990 322391042 /nfs/dbraw/zinc/39/10/42/322391042.db2.gz ASIGILUCTUDNOD-DZGCQCFKSA-N 1 1 285.347 3.231 20 30 CGEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2C)c1 ZINC000076114843 327128879 /nfs/dbraw/zinc/12/88/79/327128879.db2.gz BORVYBWGAAKHQC-MRXNPFEDSA-N 1 1 299.418 3.034 20 30 CGEDMO Cc1ccccc1[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C#N)C2)CCO1 ZINC000559105902 327141577 /nfs/dbraw/zinc/14/15/77/327141577.db2.gz JQNFRLZYEPRZTO-VYDXJSESSA-N 1 1 270.376 3.061 20 30 CGEDMO Cc1ccccc1[C@@H]1C[N@H+]([C@H]2CC[C@@H](C#N)C2)CCO1 ZINC000559105902 327141578 /nfs/dbraw/zinc/14/15/78/327141578.db2.gz JQNFRLZYEPRZTO-VYDXJSESSA-N 1 1 270.376 3.061 20 30 CGEDMO C=CCOCC[N@H+]1CC[C@@](F)(c2cc(C)cc(F)c2)C1 ZINC000559187807 327145422 /nfs/dbraw/zinc/14/54/22/327145422.db2.gz XANSILCBMJPKPP-INIZCTEOSA-N 1 1 281.346 3.207 20 30 CGEDMO C=CCOCC[N@@H+]1CC[C@@](F)(c2cc(C)cc(F)c2)C1 ZINC000559187807 327145423 /nfs/dbraw/zinc/14/54/23/327145423.db2.gz XANSILCBMJPKPP-INIZCTEOSA-N 1 1 281.346 3.207 20 30 CGEDMO CC#CC[N@@H+](C)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000569597293 327208368 /nfs/dbraw/zinc/20/83/68/327208368.db2.gz COMWGNCVDFLRCQ-UHFFFAOYSA-N 1 1 273.376 3.097 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+]CCOc1ccc2ccccc2c1 ZINC000560863856 327348336 /nfs/dbraw/zinc/34/83/36/327348336.db2.gz WDKPJGZVBOLROE-OAHLLOKOSA-N 1 1 293.370 3.252 20 30 CGEDMO C=CCOc1cccc(CN[C@H](C)C[NH+]2CCCCC2)c1 ZINC000561356003 327388796 /nfs/dbraw/zinc/38/87/96/327388796.db2.gz UKKBLELBWOPITE-MRXNPFEDSA-N 1 1 288.435 3.215 20 30 CGEDMO C=CCCCCCCNC(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000377005750 329009043 /nfs/dbraw/zinc/00/90/43/329009043.db2.gz GDRZIDQTNUWRHC-MRXNPFEDSA-N 1 1 293.455 3.003 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](C3CC3)C2)cc1 ZINC000377395102 329013922 /nfs/dbraw/zinc/01/39/22/329013922.db2.gz ZTCAITXEBPWKOR-BBRMVZONSA-N 1 1 270.376 3.209 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)cc1 ZINC000377626408 329021617 /nfs/dbraw/zinc/02/16/17/329021617.db2.gz KONXSZNQJIOTNS-KRWDZBQOSA-N 1 1 265.360 3.118 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)cc1 ZINC000377626408 329021619 /nfs/dbraw/zinc/02/16/19/329021619.db2.gz KONXSZNQJIOTNS-KRWDZBQOSA-N 1 1 265.360 3.118 20 30 CGEDMO CC1(C)C[N@@H+](CCOc2ccccc2C#N)[C@H]2CCC[C@@H]21 ZINC000393558832 329087417 /nfs/dbraw/zinc/08/74/17/329087417.db2.gz NDXAFNPWZXSNTG-HOTGVXAUSA-N 1 1 284.403 3.448 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC000181264632 329228412 /nfs/dbraw/zinc/22/84/12/329228412.db2.gz NJKIELIXJYFOSV-UHFFFAOYSA-N 1 1 279.181 3.329 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1ccc(C#N)cc1Br ZINC000181264632 329228414 /nfs/dbraw/zinc/22/84/14/329228414.db2.gz NJKIELIXJYFOSV-UHFFFAOYSA-N 1 1 279.181 3.329 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000181284098 329229409 /nfs/dbraw/zinc/22/94/09/329229409.db2.gz CHZGIXDPWHHQHL-JTQLQIEISA-N 1 1 284.762 3.314 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000181284098 329229411 /nfs/dbraw/zinc/22/94/11/329229411.db2.gz CHZGIXDPWHHQHL-JTQLQIEISA-N 1 1 284.762 3.314 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000181301659 329230494 /nfs/dbraw/zinc/23/04/94/329230494.db2.gz WGPDDFVQYFQSMM-UHFFFAOYSA-N 1 1 288.435 3.322 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)C[C@@H](O)C(C)(C)C ZINC000582920234 329289020 /nfs/dbraw/zinc/28/90/20/329289020.db2.gz LQESQFILBPOFOR-MRXNPFEDSA-N 1 1 261.409 3.124 20 30 CGEDMO N#CCC1CC[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000397141395 329343341 /nfs/dbraw/zinc/34/33/41/329343341.db2.gz IYANGJIPQJEEFS-UHFFFAOYSA-N 1 1 293.754 3.374 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000188534886 329369625 /nfs/dbraw/zinc/36/96/25/329369625.db2.gz ATWJUNADYDDRSV-KRWDZBQOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C)C1CC1 ZINC000271396430 330078963 /nfs/dbraw/zinc/07/89/63/330078963.db2.gz KWFJQPBPLCUMHU-UHFFFAOYSA-N 1 1 278.783 3.237 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1cc(Cl)ccc1C)C1CC1 ZINC000271396430 330078965 /nfs/dbraw/zinc/07/89/65/330078965.db2.gz KWFJQPBPLCUMHU-UHFFFAOYSA-N 1 1 278.783 3.237 20 30 CGEDMO C=CCC(C)(C)C[NH2+][C@@H](Cc1ccccc1)[C@@H](C)N ZINC000423139915 330172237 /nfs/dbraw/zinc/17/22/37/330172237.db2.gz WVXRGTUUPCUNLD-ZBFHGGJFSA-N 1 1 260.425 3.137 20 30 CGEDMO C=CC[C@H](C)[C@H](C)[NH2+]CC1(N)C2CC3CC(C2)CC1C3 ZINC000423528523 330210192 /nfs/dbraw/zinc/21/01/92/330210192.db2.gz OLTMCLMAOJRCCA-WBDOQIJVSA-N 1 1 276.468 3.330 20 30 CGEDMO CCc1cccc(OCC[N@H+](C)CC(C)(C)C#N)c1 ZINC000433315944 330220611 /nfs/dbraw/zinc/22/06/11/330220611.db2.gz ZTGJDGSNZXUJEK-UHFFFAOYSA-N 1 1 260.381 3.109 20 30 CGEDMO CCc1cccc(OCC[N@@H+](C)CC(C)(C)C#N)c1 ZINC000433315944 330220613 /nfs/dbraw/zinc/22/06/13/330220613.db2.gz ZTGJDGSNZXUJEK-UHFFFAOYSA-N 1 1 260.381 3.109 20 30 CGEDMO CC(C)c1ncc2c(n1)CC[N@H+](CC(C)(C)CCC#N)C2 ZINC000527620229 330266178 /nfs/dbraw/zinc/26/61/78/330266178.db2.gz ZGCXYYPPNKNUAP-UHFFFAOYSA-N 1 1 286.423 3.288 20 30 CGEDMO C=CCn1cc(C[NH2+][C@@H](c2ccc(C)cc2)C2CCC2)nn1 ZINC000424292809 330335235 /nfs/dbraw/zinc/33/52/35/330335235.db2.gz HMAHXRBRJUODOE-GOSISDBHSA-N 1 1 296.418 3.404 20 30 CGEDMO C=CCn1cc(C[NH2+][C@@H](CC)c2ccc(CC)cc2)nn1 ZINC000424299582 330336836 /nfs/dbraw/zinc/33/68/36/330336836.db2.gz VQHYLXPXYPTWJF-KRWDZBQOSA-N 1 1 284.407 3.267 20 30 CGEDMO C=CCC[C@H]([NH2+]C1CCN(CCC)CC1)C1CC1 ZINC000119911948 330381389 /nfs/dbraw/zinc/38/13/89/330381389.db2.gz GWKHQKOONWVUEX-INIZCTEOSA-N 1 1 250.430 3.195 20 30 CGEDMO N#CCC1(C[NH2+][C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000430744315 330572373 /nfs/dbraw/zinc/57/23/73/330572373.db2.gz RUCAZOPTDOFJKJ-KRWDZBQOSA-N 1 1 277.371 3.454 20 30 CGEDMO C=CCC[C@@H](CO)Nc1cc[nH+]c2ccc(Cl)cc12 ZINC000450894654 331005373 /nfs/dbraw/zinc/00/53/73/331005373.db2.gz JQVXITXKYLZYPP-LBPRGKRZSA-N 1 1 276.767 3.049 20 30 CGEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@H+]2CC2(C#N)CCC2)C1 ZINC000450895837 331005526 /nfs/dbraw/zinc/00/55/26/331005526.db2.gz LZTQVYNYXDDETC-VQHPVUNQSA-N 1 1 290.451 3.332 20 30 CGEDMO COC[C@]1(C)CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000451204850 331020505 /nfs/dbraw/zinc/02/05/05/331020505.db2.gz WEIHRECZGLBSQL-MRXNPFEDSA-N 1 1 277.795 3.050 20 30 CGEDMO COC[C@]1(C)CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000451204850 331020506 /nfs/dbraw/zinc/02/05/06/331020506.db2.gz WEIHRECZGLBSQL-MRXNPFEDSA-N 1 1 277.795 3.050 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCSC[C@H]2C2CC2)cc1 ZINC000451657175 331038002 /nfs/dbraw/zinc/03/80/02/331038002.db2.gz VUTBALKPDMPZON-INIZCTEOSA-N 1 1 272.417 3.080 20 30 CGEDMO N#CCCC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453194697 331099923 /nfs/dbraw/zinc/09/99/23/331099923.db2.gz OPNYCYJMMJKBHY-GUDVDZBRSA-N 1 1 297.446 3.323 20 30 CGEDMO C=C(CC)C[NH2+][C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000453359034 331122221 /nfs/dbraw/zinc/12/22/21/331122221.db2.gz MJCVBZJEEWKWGG-AWEZNQCLSA-N 1 1 259.328 3.194 20 30 CGEDMO C=C(CC)CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000456813528 331205150 /nfs/dbraw/zinc/20/51/50/331205150.db2.gz QQBFKFCIVYBQCI-KRWDZBQOSA-N 1 1 286.419 3.124 20 30 CGEDMO CC#CCC[N@@H+]1C[C@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000462318920 331319345 /nfs/dbraw/zinc/31/93/45/331319345.db2.gz FXBOGMPACRXVQP-FUHWJXTLSA-N 1 1 271.404 3.479 20 30 CGEDMO CC#CCC[N@H+]1C[C@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000462318920 331319346 /nfs/dbraw/zinc/31/93/46/331319346.db2.gz FXBOGMPACRXVQP-FUHWJXTLSA-N 1 1 271.404 3.479 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCCC[N@@H+]1CCCC ZINC000464448143 331360929 /nfs/dbraw/zinc/36/09/29/331360929.db2.gz NMUJJGYATKYYQX-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](C2CCCCC2)C[C@@H]1C(=O)OC ZINC000464821289 331369602 /nfs/dbraw/zinc/36/96/02/331369602.db2.gz HWGRDMHNMDHJCW-HUUCEWRRSA-N 1 1 265.397 3.006 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1C ZINC000489430036 332051568 /nfs/dbraw/zinc/05/15/68/332051568.db2.gz CNONPTMBCXKELT-HNNXBMFYSA-N 1 1 272.392 3.364 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)N(c1ccccc1)C(C)C ZINC000489452720 332053438 /nfs/dbraw/zinc/05/34/38/332053438.db2.gz WXXKCUNSSZYZQK-INIZCTEOSA-N 1 1 286.419 3.469 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)N(c1ccccc1)C(C)C ZINC000489452720 332053440 /nfs/dbraw/zinc/05/34/40/332053440.db2.gz WXXKCUNSSZYZQK-INIZCTEOSA-N 1 1 286.419 3.469 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccc(C)cc1C ZINC000489450397 332053587 /nfs/dbraw/zinc/05/35/87/332053587.db2.gz QCOPFTNSYOCYMR-SJORKVTESA-N 1 1 289.419 3.084 20 30 CGEDMO C#CC[N@H+](Cc1ccc(F)cc1)[C@H](C)c1ccccn1 ZINC000491219403 332167966 /nfs/dbraw/zinc/16/79/66/332167966.db2.gz FBDOVDXTNWZTHI-CQSZACIVSA-N 1 1 268.335 3.417 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H](C)c1ccccn1 ZINC000491219403 332167967 /nfs/dbraw/zinc/16/79/67/332167967.db2.gz FBDOVDXTNWZTHI-CQSZACIVSA-N 1 1 268.335 3.417 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cccc(-c2ccccn2)c1 ZINC000491681396 332284587 /nfs/dbraw/zinc/28/45/87/332284587.db2.gz MUFHOHCZSSUOBS-CQSZACIVSA-N 1 1 250.345 3.202 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cccc(OCc2ccccn2)c1 ZINC000491699337 332293835 /nfs/dbraw/zinc/29/38/35/332293835.db2.gz NBWGLRKFGIWHQZ-OAHLLOKOSA-N 1 1 280.371 3.114 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1cnc2cccc(C)n12)c1ccc(F)cc1 ZINC000491730176 332312309 /nfs/dbraw/zinc/31/23/09/332312309.db2.gz OTZTYRDGYLCKNK-QGZVFWFLSA-N 1 1 293.345 3.246 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000513401075 333017442 /nfs/dbraw/zinc/01/74/42/333017442.db2.gz ITLIIEALZPMAAT-UHFFFAOYSA-N 1 1 262.372 3.304 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000309980507 333052275 /nfs/dbraw/zinc/05/22/75/333052275.db2.gz URLYCHYBZKQBOC-MSOLQXFVSA-N 1 1 270.420 3.016 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000309980507 333052276 /nfs/dbraw/zinc/05/22/76/333052276.db2.gz URLYCHYBZKQBOC-MSOLQXFVSA-N 1 1 270.420 3.016 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000185521204 333143012 /nfs/dbraw/zinc/14/30/12/333143012.db2.gz FJUJNAFFEYPXOO-CVEARBPZSA-N 1 1 288.435 3.225 20 30 CGEDMO C=CC1CC[NH+]([C@H](C)c2nnnn2C2CCCCC2)CC1 ZINC000189262725 333188655 /nfs/dbraw/zinc/18/86/55/333188655.db2.gz FGGYKYMWOMYDIE-CYBMUJFWSA-N 1 1 289.427 3.137 20 30 CGEDMO C=CCn1c2ccccc2nc1SC[C@H]1CC[N@H+](C)C1 ZINC000190959042 333212778 /nfs/dbraw/zinc/21/27/78/333212778.db2.gz HDYMPMNZCCSKNE-ZDUSSCGKSA-N 1 1 287.432 3.266 20 30 CGEDMO CN(C)c1cccc(C[N@@H+](C)CC#Cc2ccccc2)c1 ZINC000192119482 333229895 /nfs/dbraw/zinc/22/98/95/333229895.db2.gz GOYJGDBIZBIOAI-UHFFFAOYSA-N 1 1 278.399 3.236 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](O)COc1cccc2ccccc21 ZINC000523010514 333304430 /nfs/dbraw/zinc/30/44/30/333304430.db2.gz IUWIZYZXYZZYSZ-KRWDZBQOSA-N 1 1 299.414 3.478 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000525121111 333399434 /nfs/dbraw/zinc/39/94/34/333399434.db2.gz RTXCMCPNPKABGJ-UHFFFAOYSA-N 1 1 299.317 3.415 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000576035168 335143897 /nfs/dbraw/zinc/14/38/97/335143897.db2.gz FCJCWHNFMKQICJ-CABCVRRESA-N 1 1 264.413 3.207 20 30 CGEDMO C=CC[N@H+](CCCc1cncn1C)Cc1cccs1 ZINC000576049575 335146056 /nfs/dbraw/zinc/14/60/56/335146056.db2.gz FDDGVHVFIKULES-UHFFFAOYSA-N 1 1 275.421 3.102 20 30 CGEDMO CC(C)Oc1ccccc1[C@@H](C)[NH2+]CC1(C#N)CC1 ZINC000538389748 333587912 /nfs/dbraw/zinc/58/79/12/333587912.db2.gz YIHDWECNJXHXMI-CYBMUJFWSA-N 1 1 258.365 3.428 20 30 CGEDMO C=C[C@H](CC(=O)NCC[N@H+](C)CCCC)c1ccccc1 ZINC000134421411 334090194 /nfs/dbraw/zinc/09/01/94/334090194.db2.gz JTJPVJTVUJGVFV-MRXNPFEDSA-N 1 1 288.435 3.194 20 30 CGEDMO C=CC1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000547737872 334113378 /nfs/dbraw/zinc/11/33/78/334113378.db2.gz RXVSLACJJKSJLL-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)C[C@@H](O)Cc1ccc(F)cc1 ZINC000576244302 335177183 /nfs/dbraw/zinc/17/71/83/335177183.db2.gz NPAUKEMCGJDVIG-IBGZPJMESA-N 1 1 299.389 3.417 20 30 CGEDMO C=CCCCCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC000548064108 334137707 /nfs/dbraw/zinc/13/77/07/334137707.db2.gz WBMZCGZVWUYLAP-UHFFFAOYSA-N 1 1 266.429 3.114 20 30 CGEDMO C=CCCCCNC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000548435944 334156359 /nfs/dbraw/zinc/15/63/59/334156359.db2.gz VCSPGTZFNDWVMR-UHFFFAOYSA-N 1 1 295.471 3.105 20 30 CGEDMO C=CCSc1ccccc1NC(=O)C[N@@H+](C)CC1CC1 ZINC000080048547 334165404 /nfs/dbraw/zinc/16/54/04/334165404.db2.gz HGGJRZROSDCMFA-UHFFFAOYSA-N 1 1 290.432 3.245 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000549034718 334183094 /nfs/dbraw/zinc/18/30/94/334183094.db2.gz ZKQDFEDZZBNZSO-XJKSGUPXSA-N 1 1 265.397 3.006 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000246925437 334272190 /nfs/dbraw/zinc/27/21/90/334272190.db2.gz FMCABGZBRSBVPC-PVAVHDDUSA-N 1 1 259.393 3.192 20 30 CGEDMO CC#CC[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC000550503336 334223643 /nfs/dbraw/zinc/22/36/43/334223643.db2.gz HTCLEXGDAAPFFH-UHFFFAOYSA-N 1 1 270.145 3.043 20 30 CGEDMO CC[C@H](C)C[N@@H+](CC)[C@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000245937790 334224724 /nfs/dbraw/zinc/22/47/24/334224724.db2.gz ZTPAELSCTXSEBG-LSDHHAIUSA-N 1 1 293.455 3.086 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000551734280 334259493 /nfs/dbraw/zinc/25/94/93/334259493.db2.gz CIVWXGNGLCWEOC-UHFFFAOYSA-N 1 1 280.362 3.443 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000248972086 334323617 /nfs/dbraw/zinc/32/36/17/334323617.db2.gz SXZBHPVQPSSQBG-WBVHZDCISA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)cc1 ZINC000552424349 334326274 /nfs/dbraw/zinc/32/62/74/334326274.db2.gz XPHWNIRKOIUYBR-OALUTQOASA-N 1 1 299.414 3.395 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)cc1 ZINC000552424349 334326275 /nfs/dbraw/zinc/32/62/75/334326275.db2.gz XPHWNIRKOIUYBR-OALUTQOASA-N 1 1 299.414 3.395 20 30 CGEDMO C=C(C)COCCNC1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000090451434 334361390 /nfs/dbraw/zinc/36/13/90/334361390.db2.gz ZVPSTKFJWBAIGS-SJLPKXTDSA-N 1 1 294.483 3.212 20 30 CGEDMO CO[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)CC[C@H]1C ZINC000251892542 334371405 /nfs/dbraw/zinc/37/14/05/334371405.db2.gz QKCSCERUVWEANK-CZUORRHYSA-N 1 1 277.795 3.048 20 30 CGEDMO COc1cccc(C[N@@H+](C)Cc2ccc(CC#N)cc2)c1 ZINC000342698817 335186054 /nfs/dbraw/zinc/18/60/54/335186054.db2.gz HYXJDDBFUCTMHZ-UHFFFAOYSA-N 1 1 280.371 3.393 20 30 CGEDMO CCC(CC)[N@@H+](CCOC)Cc1ccc(CC#N)cc1 ZINC000343529194 335207143 /nfs/dbraw/zinc/20/71/43/335207143.db2.gz MHVSWKPDNCCWSW-UHFFFAOYSA-N 1 1 274.408 3.390 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000577265960 335332246 /nfs/dbraw/zinc/33/22/46/335332246.db2.gz MESBGNBEEWIMHX-CQSZACIVSA-N 1 1 264.413 3.086 20 30 CGEDMO C[C@H]1C[N@@H+](C)CC[C@H]1Nc1cccc(OCCCC#N)c1 ZINC000346549074 335369017 /nfs/dbraw/zinc/36/90/17/335369017.db2.gz OVTJQNZKQJHOCX-WMLDXEAASA-N 1 1 287.407 3.121 20 30 CGEDMO C[C@@H]1CCC[N@@H+](C(C)(C)CNCc2cc(C#N)cs2)C1 ZINC000177689420 335379276 /nfs/dbraw/zinc/37/92/76/335379276.db2.gz NOZDCPCIBNRSEP-CYBMUJFWSA-N 1 1 291.464 3.220 20 30 CGEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNCc2cc(C#N)cs2)C1 ZINC000177689420 335379277 /nfs/dbraw/zinc/37/92/77/335379277.db2.gz NOZDCPCIBNRSEP-CYBMUJFWSA-N 1 1 291.464 3.220 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)nc1 ZINC000581378057 336064860 /nfs/dbraw/zinc/06/48/60/336064860.db2.gz XPOCTAIWQSUDMI-CYBMUJFWSA-N 1 1 299.324 3.221 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)nc1 ZINC000581378057 336064862 /nfs/dbraw/zinc/06/48/62/336064862.db2.gz XPOCTAIWQSUDMI-CYBMUJFWSA-N 1 1 299.324 3.221 20 30 CGEDMO C=CCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000381926477 336077860 /nfs/dbraw/zinc/07/78/60/336077860.db2.gz PYTWSUQKDNIDBW-RTBURBONSA-N 1 1 284.447 3.407 20 30 CGEDMO C=CCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000381926477 336077862 /nfs/dbraw/zinc/07/78/62/336077862.db2.gz PYTWSUQKDNIDBW-RTBURBONSA-N 1 1 284.447 3.407 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000381926477 336077863 /nfs/dbraw/zinc/07/78/63/336077863.db2.gz PYTWSUQKDNIDBW-RTBURBONSA-N 1 1 284.447 3.407 20 30 CGEDMO C=CCCC[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000381926477 336077865 /nfs/dbraw/zinc/07/78/65/336077865.db2.gz PYTWSUQKDNIDBW-RTBURBONSA-N 1 1 284.447 3.407 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1cccc(C(=O)OC)c1Cl ZINC000382494857 336091738 /nfs/dbraw/zinc/09/17/38/336091738.db2.gz IFPAETVRQYQJIZ-UHFFFAOYSA-N 1 1 267.756 3.135 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cccc(C(=O)OC)c1Cl ZINC000382494857 336091739 /nfs/dbraw/zinc/09/17/39/336091739.db2.gz IFPAETVRQYQJIZ-UHFFFAOYSA-N 1 1 267.756 3.135 20 30 CGEDMO CC[C@H]1[C@H](C)CC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000384285797 336123260 /nfs/dbraw/zinc/12/32/60/336123260.db2.gz NCZPZGIPZDFCJX-CJNGLKHVSA-N 1 1 258.365 3.057 20 30 CGEDMO C[C@H]1CCSCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000385902403 336160756 /nfs/dbraw/zinc/16/07/56/336160756.db2.gz ZSYUYEITRSOEDZ-AWEZNQCLSA-N 1 1 290.432 3.155 20 30 CGEDMO COc1ccccc1CC[N@H+](C)Cc1cccc(F)c1C#N ZINC000428240359 534035565 /nfs/dbraw/zinc/03/55/65/534035565.db2.gz BJFRZBCHCVXQCI-UHFFFAOYSA-N 1 1 298.361 3.380 20 30 CGEDMO COc1ccccc1CC[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428240359 534035572 /nfs/dbraw/zinc/03/55/72/534035572.db2.gz BJFRZBCHCVXQCI-UHFFFAOYSA-N 1 1 298.361 3.380 20 30 CGEDMO C=CCc1cc(C[N@H+](C)Cc2cccnc2)cc(OC)c1O ZINC000183661418 519130950 /nfs/dbraw/zinc/13/09/50/519130950.db2.gz JSENWMBUPVUZOV-UHFFFAOYSA-N 1 1 298.386 3.156 20 30 CGEDMO C=CCc1cc(C[N@@H+](C)Cc2cccnc2)cc(OC)c1O ZINC000183661418 519130957 /nfs/dbraw/zinc/13/09/57/519130957.db2.gz JSENWMBUPVUZOV-UHFFFAOYSA-N 1 1 298.386 3.156 20 30 CGEDMO C[C@@H](C[N@@H+](C)Cc1cc(C#N)ccc1F)c1nccs1 ZINC000183930262 524574129 /nfs/dbraw/zinc/57/41/29/524574129.db2.gz WOTSAJGQVOWUMH-NSHDSACASA-N 1 1 289.379 3.389 20 30 CGEDMO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000163874466 525821591 /nfs/dbraw/zinc/82/15/91/525821591.db2.gz BGIPLUCDPQNFQI-SWLSCSKDSA-N 1 1 292.810 3.337 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)CCC(C)(C)OC ZINC000346603609 526325990 /nfs/dbraw/zinc/32/59/90/526325990.db2.gz IJGVUQOSWQRRCP-UHFFFAOYSA-N 1 1 251.370 3.125 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Br)cc1C#N)C1CC1 ZINC000347021573 526331620 /nfs/dbraw/zinc/33/16/20/526331620.db2.gz WANYMWRLBBZNNZ-UHFFFAOYSA-N 1 1 291.192 3.471 20 30 CGEDMO C=CC[N@H+](Cc1ccc(Br)cc1C#N)C1CC1 ZINC000347021573 526331625 /nfs/dbraw/zinc/33/16/25/526331625.db2.gz WANYMWRLBBZNNZ-UHFFFAOYSA-N 1 1 291.192 3.471 20 30 CGEDMO C=CCOCCCN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000347972483 526753166 /nfs/dbraw/zinc/75/31/66/526753166.db2.gz QRFFMIMRQCGOJT-GOSISDBHSA-N 1 1 294.483 3.023 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)cc1 ZINC000352730403 526873913 /nfs/dbraw/zinc/87/39/13/526873913.db2.gz DCYWLDLGJIBSGN-CQSZACIVSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CCC[C@H](NC[C@H]1CCC[N@H+]1CC)c1ccco1 ZINC000353443996 527485779 /nfs/dbraw/zinc/48/57/79/527485779.db2.gz FEBQCSOXNZMCOB-CABCVRRESA-N 1 1 262.397 3.361 20 30 CGEDMO C=CCC[C@H](NC[C@H]1CCC[N@@H+]1CC)c1ccco1 ZINC000353443996 527485780 /nfs/dbraw/zinc/48/57/80/527485780.db2.gz FEBQCSOXNZMCOB-CABCVRRESA-N 1 1 262.397 3.361 20 30 CGEDMO CC(C)[C@]1(CO)CC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000368056978 527993563 /nfs/dbraw/zinc/99/35/63/527993563.db2.gz NBYMVNDICIIZSY-MRXNPFEDSA-N 1 1 292.810 3.052 20 30 CGEDMO CC(C)[C@]1(CO)CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000368056978 527993570 /nfs/dbraw/zinc/99/35/70/527993570.db2.gz NBYMVNDICIIZSY-MRXNPFEDSA-N 1 1 292.810 3.052 20 30 CGEDMO CC[N@@H+](CCC1CC1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000355053658 528428073 /nfs/dbraw/zinc/42/80/73/528428073.db2.gz GBDDJISLAHRWEK-UHFFFAOYSA-N 1 1 296.374 3.230 20 30 CGEDMO CCS[C@@H]1CCCC[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000191355514 535703381 /nfs/dbraw/zinc/70/33/81/535703381.db2.gz GWMSBTFCYKSZAD-OAHLLOKOSA-N 1 1 277.437 3.004 20 30 CGEDMO CC[C@@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000312949313 535824288 /nfs/dbraw/zinc/82/42/88/535824288.db2.gz NAYZEKPWSQIGQX-UONOGXRCSA-N 1 1 285.391 3.007 20 30 CGEDMO CCn1c2ccc(C)cc2[nH+]c1NCc1cc(C#N)n(C)c1 ZINC000191558081 536001735 /nfs/dbraw/zinc/00/17/35/536001735.db2.gz BTBZGZFUBMQWOD-UHFFFAOYSA-N 1 1 293.374 3.187 20 30 CGEDMO C[N@@H+](Cc1ccnc(C#N)c1)C1CCCCCCC1 ZINC000749513325 573015227 /nfs/dbraw/zinc/01/52/27/573015227.db2.gz BVCBPCJJPDSBNY-UHFFFAOYSA-N 1 1 257.381 3.498 20 30 CGEDMO C=CC[NH2+][C@@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000205033627 571809393 /nfs/dbraw/zinc/80/93/93/571809393.db2.gz BFAKFIDTMHQGEW-MRXNPFEDSA-N 1 1 266.344 3.142 20 30 CGEDMO C#CCOc1ccccc1C[N@H+](C)C1Cc2ccccc2C1 ZINC000732201489 572451463 /nfs/dbraw/zinc/45/14/63/572451463.db2.gz CYMKAWOGCCZUDH-UHFFFAOYSA-N 1 1 291.394 3.298 20 30 CGEDMO CCCCCCCC[N@@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000740878423 572465227 /nfs/dbraw/zinc/46/52/27/572465227.db2.gz DXKVNHGIDIZRCP-KEYYUXOJSA-N 1 1 259.459 3.188 20 30 CGEDMO CCCCCCCC[N@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000740878423 572465232 /nfs/dbraw/zinc/46/52/32/572465232.db2.gz DXKVNHGIDIZRCP-KEYYUXOJSA-N 1 1 259.459 3.188 20 30 CGEDMO C[C@@H](Nc1nc(N2CCCC2)cc[nH+]1)c1ccc(C#N)cc1 ZINC000733187664 572539678 /nfs/dbraw/zinc/53/96/78/572539678.db2.gz UMXHGYMTNZETSK-CYBMUJFWSA-N 1 1 293.374 3.122 20 30 CGEDMO C[C@@H]1CCCCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000734002123 572622261 /nfs/dbraw/zinc/62/22/61/572622261.db2.gz ZSKDESSAMWAPFE-CQSZACIVSA-N 1 1 258.365 3.353 20 30 CGEDMO CC[C@H](C)CN(C)c1ccc(F)cc1C=[NH+]OC ZINC000734747073 572682850 /nfs/dbraw/zinc/68/28/50/572682850.db2.gz WSOGIAAPUFEGSX-NSHDSACASA-N 1 1 252.333 3.288 20 30 CGEDMO C=C(Cl)CN1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000743872416 572694197 /nfs/dbraw/zinc/69/41/97/572694197.db2.gz VWJSCZMEURMFEU-HNNXBMFYSA-N 1 1 278.827 3.335 20 30 CGEDMO C#Cc1cccc(N(C)C(=O)C[N@H+](C)CCCCCC)c1 ZINC000735655873 572736659 /nfs/dbraw/zinc/73/66/59/572736659.db2.gz XDOLWPPRFYBCKD-UHFFFAOYSA-N 1 1 286.419 3.143 20 30 CGEDMO C#CC[N@H+](C[C@H]1CC1(Cl)Cl)C1CCCCC1 ZINC000744739300 572771189 /nfs/dbraw/zinc/77/11/89/572771189.db2.gz SQXRMVURYFTKOS-LLVKDONJSA-N 1 1 260.208 3.448 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)CCOC ZINC000352902848 572814772 /nfs/dbraw/zinc/81/47/72/572814772.db2.gz ORTWYFUGBCHETO-HNNXBMFYSA-N 1 1 279.428 3.267 20 30 CGEDMO C#CCOc1ccccc1C[N@H+](C)Cc1cnccc1C ZINC000746514111 572876369 /nfs/dbraw/zinc/87/63/69/572876369.db2.gz SXSNCSQKEDFQJZ-UHFFFAOYSA-N 1 1 280.371 3.034 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+](C)Cc1cnccc1C ZINC000746514111 572876371 /nfs/dbraw/zinc/87/63/71/572876371.db2.gz SXSNCSQKEDFQJZ-UHFFFAOYSA-N 1 1 280.371 3.034 20 30 CGEDMO C[N@H+](CC#Cc1ccc(F)cc1)CCc1ccccc1F ZINC000746590573 572883344 /nfs/dbraw/zinc/88/33/44/572883344.db2.gz APWWSTHKUXUHNH-UHFFFAOYSA-N 1 1 285.337 3.491 20 30 CGEDMO C[N@@H+](CCC1CC1)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000746638547 572886348 /nfs/dbraw/zinc/88/63/48/572886348.db2.gz ZRNYGFHRMNHAFU-UHFFFAOYSA-N 1 1 280.375 3.111 20 30 CGEDMO C=C(Cl)C[N@@H+](Cc1ccccc1)[C@@H](CO)C(C)C ZINC000749801943 573040306 /nfs/dbraw/zinc/04/03/06/573040306.db2.gz JFPXMOTWNRMECK-HNNXBMFYSA-N 1 1 267.800 3.258 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@H]([C@H]2CC[N@H+](CC)C2)C1 ZINC000961226508 613240633 /nfs/dbraw/zinc/24/06/33/613240633.db2.gz HFIDVRIWCHWBND-HOTGVXAUSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H]2C[C@@]2(C)C(C)C)CC1 ZINC000983430862 613254670 /nfs/dbraw/zinc/25/46/70/613254670.db2.gz RHBRTGROEOHSCU-AEFFLSMTSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[NH+]1CCN(C(=O)c2sc(C)cc2C)CC1 ZINC000948552061 613263199 /nfs/dbraw/zinc/26/31/99/613263199.db2.gz ASSQKHZCEXBJFD-UHFFFAOYSA-N 1 1 292.448 3.089 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C=C2CCC2)C(C)(C)C1 ZINC000940669424 613265934 /nfs/dbraw/zinc/26/59/34/613265934.db2.gz JNNIGPMOJMCPPH-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C=C2CCC2)C[C@H]1C ZINC000947191612 613266110 /nfs/dbraw/zinc/26/61/10/613266110.db2.gz VILOVVUQMORTBF-GDBMZVCRSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)o2)C[C@@H]1C ZINC000947025522 613266844 /nfs/dbraw/zinc/26/68/44/613266844.db2.gz FLFMMWZNDIQVIB-DZGCQCFKSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CC2CCC2)C[C@@H]1C ZINC000947165389 613271011 /nfs/dbraw/zinc/27/10/11/613271011.db2.gz FSFRQLREUBGCIP-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2occc2C)C[C@H]1C ZINC000947057191 613273579 /nfs/dbraw/zinc/27/35/79/613273579.db2.gz OGJNUCMYRUJVQV-CABCVRRESA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)C2(C)CCCC2)C(C)(C)C1 ZINC000974883534 613273799 /nfs/dbraw/zinc/27/37/99/613273799.db2.gz PVULNEAJMBUISZ-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@]2(C)C=CCC2)C(C)(C)C1 ZINC000974966051 613274037 /nfs/dbraw/zinc/27/40/37/613274037.db2.gz VRRBNYONCMTBKK-CRAIPNDOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)C)C[C@@H]2C1 ZINC000980221773 613278671 /nfs/dbraw/zinc/27/86/71/613278671.db2.gz CHFJRTQDWOWDDM-XHSDSOJGSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)C(CC)(CC)CC)C1 ZINC000972622303 613282678 /nfs/dbraw/zinc/28/26/78/613282678.db2.gz HYNCUUWDFUXEMX-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)c2ccsc2Cl)C1 ZINC000972482782 613287024 /nfs/dbraw/zinc/28/70/24/613287024.db2.gz MDLFTQBKCSTCFC-LLVKDONJSA-N 1 1 298.839 3.124 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC1(C)C ZINC000968994649 613307042 /nfs/dbraw/zinc/30/70/42/613307042.db2.gz XEVMJWWYZWDOBJ-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)c2c(C)cccc2C)CC1 ZINC000982017417 613311199 /nfs/dbraw/zinc/31/11/99/613311199.db2.gz GPOVSDUDRKYWCP-UHFFFAOYSA-N 1 1 286.419 3.027 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cscc2C)C1 ZINC000965770366 613324614 /nfs/dbraw/zinc/32/46/14/613324614.db2.gz YADCRSZMCOWHPY-DOMZBBRYSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cscc2C)C[C@H]1C ZINC000947149050 613331436 /nfs/dbraw/zinc/33/14/36/613331436.db2.gz XSTNBBBMMJMILC-ZIAGYGMSSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2sccc2C)[C@H](C)C1 ZINC000941746528 613332139 /nfs/dbraw/zinc/33/21/39/613332139.db2.gz HHPAHIVGKMCXKJ-ZIAGYGMSSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C2CCCCCC2)C1 ZINC000965475869 613332447 /nfs/dbraw/zinc/33/24/47/613332447.db2.gz KNKRTIIYGPNHSK-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2CCCCCC2)C1 ZINC000965475867 613333597 /nfs/dbraw/zinc/33/35/97/613333597.db2.gz KNKRTIIYGPNHSK-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2c(C)coc2C)C[C@H]1C ZINC000947272007 613335925 /nfs/dbraw/zinc/33/59/25/613335925.db2.gz QWZGLTISAFSWEY-HIFRSBDPSA-N 1 1 290.407 3.055 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(CC)o2)C[C@H]1C ZINC000947454580 613336091 /nfs/dbraw/zinc/33/60/91/613336091.db2.gz MJHOJEAQDJYVDL-KGLIPLIRSA-N 1 1 290.407 3.001 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2occc2CC)C[C@H]1C ZINC000947690177 613337246 /nfs/dbraw/zinc/33/72/46/613337246.db2.gz RPQONVHVMXTZAW-HIFRSBDPSA-N 1 1 290.407 3.001 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2sccc2C)C[C@@H]1C ZINC000946995708 613337274 /nfs/dbraw/zinc/33/72/74/613337274.db2.gz LQNZVMMBANNGGV-KBPBESRZSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cscc2C)C(C)(C)C1 ZINC000973010194 613338757 /nfs/dbraw/zinc/33/87/57/613338757.db2.gz LNKFVRFODJFXSS-CQSZACIVSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)C2CCCCC2)C[C@@H]1C ZINC000946994253 613376277 /nfs/dbraw/zinc/37/62/77/613376277.db2.gz CLEWLSZXEAWDBF-DZGCQCFKSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CCCCC2)C[C@@H]1C ZINC000946994253 613376278 /nfs/dbraw/zinc/37/62/78/613376278.db2.gz CLEWLSZXEAWDBF-DZGCQCFKSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2)C[C@H]1C ZINC000947005559 613376701 /nfs/dbraw/zinc/37/67/01/613376701.db2.gz QNZOCKKPZFEWKO-UKRRQHHQSA-N 1 1 292.810 3.022 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2)C[C@H]1C ZINC000947005559 613376702 /nfs/dbraw/zinc/37/67/02/613376702.db2.gz QNZOCKKPZFEWKO-UKRRQHHQSA-N 1 1 292.810 3.022 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C2CCCCC2)C[C@@H]1C ZINC000946994256 613378271 /nfs/dbraw/zinc/37/82/71/613378271.db2.gz CLEWLSZXEAWDBF-ZFWWWQNUSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C2CCCCC2)C[C@@H]1C ZINC000946994256 613378272 /nfs/dbraw/zinc/37/82/72/613378272.db2.gz CLEWLSZXEAWDBF-ZFWWWQNUSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C1CCC(C(=O)N(C)[C@H]2CCC[N@@H+](CCF)CC2)CC1 ZINC000948746606 613403604 /nfs/dbraw/zinc/40/36/04/613403604.db2.gz GDGFDWSADYGEAJ-INIZCTEOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2C[N@@H+](CCCC)CC[C@@H]2C)CC1 ZINC000968215070 613410750 /nfs/dbraw/zinc/41/07/50/613410750.db2.gz VTIMMWKVJIIDAQ-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]([C@H]2CC[N@H+](CCC)C2)C1 ZINC000961229420 613431989 /nfs/dbraw/zinc/43/19/89/613431989.db2.gz MIUJXCPJXYRTET-CVEARBPZSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@H+]1CCCC2(CN(C(=O)CCC3CCC3)C2)C1 ZINC000981698222 613488424 /nfs/dbraw/zinc/48/84/24/613488424.db2.gz VXSNFZYBGYXYEQ-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[C@@H]([N@@H+](C)CC2CCCC2)C1 ZINC000972246253 613502697 /nfs/dbraw/zinc/50/26/97/613502697.db2.gz OTKCOFCQSCSRJL-SJLPKXTDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC(=C)C)[C@H](C)C2)cc1 ZINC000947735044 613515555 /nfs/dbraw/zinc/51/55/55/613515555.db2.gz INZOOTDCZGKJRY-QAPCUYQASA-N 1 1 298.430 3.488 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccccc2C)C1 ZINC000964767733 613516119 /nfs/dbraw/zinc/51/61/19/613516119.db2.gz BDPXROPXHPLHMW-WBVHZDCISA-N 1 1 286.419 3.011 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccc(C)c2)C1 ZINC000964871888 613517800 /nfs/dbraw/zinc/51/78/00/613517800.db2.gz HMUBMCNHNGOFCS-NVXWUHKLSA-N 1 1 286.419 3.011 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C2CCC=CCC2)C[C@H]1C ZINC000948047610 613519920 /nfs/dbraw/zinc/51/99/20/613519920.db2.gz HZPXCSMRXYIVKH-NVXWUHKLSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@H](C)C1 ZINC000944226465 613522209 /nfs/dbraw/zinc/52/22/09/613522209.db2.gz IWDCADQZSOJJLP-QBPKDAKJSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2occc2Cl)C[C@H]1C ZINC000947686212 613542743 /nfs/dbraw/zinc/54/27/43/613542743.db2.gz VLZAZFLAIIVQMO-NEPJUHHUSA-N 1 1 296.798 3.092 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](NC(=O)C2(F)CCCCC2)C(C)(C)C1 ZINC000977419360 613543562 /nfs/dbraw/zinc/54/35/62/613543562.db2.gz MOXOPUWSOTWYON-CQSZACIVSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2csc(C)c2)C(C)(C)C1 ZINC000977324445 613556471 /nfs/dbraw/zinc/55/64/71/613556471.db2.gz YLFVEWBQFNSFOX-AWEZNQCLSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)c2c(C)oc3ccccc32)C1 ZINC000971596992 613618889 /nfs/dbraw/zinc/61/88/89/613618889.db2.gz MUKYJZHFZLYMEQ-CQSZACIVSA-N 1 1 298.386 3.074 20 30 CGEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)c3ccc(C)c(C)c3)C2)C1 ZINC000982136729 613681406 /nfs/dbraw/zinc/68/14/06/613681406.db2.gz WODXOMDHJWYHQL-UHFFFAOYSA-N 1 1 298.430 3.027 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)/C(C)=C\C)CC2)C1 ZINC000961344217 613700330 /nfs/dbraw/zinc/70/03/30/613700330.db2.gz APFRUMCWULPRKJ-DBCFMDJHSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)C=C)C1 ZINC000963351102 613703435 /nfs/dbraw/zinc/70/34/35/613703435.db2.gz GDKNLKFKZQJFTI-JKSUJKDBSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC000968695611 613727677 /nfs/dbraw/zinc/72/76/77/613727677.db2.gz SDYUFQDMQOTVBK-KGLIPLIRSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C3CC3)cc2)C1 ZINC000968674451 613730244 /nfs/dbraw/zinc/73/02/44/613730244.db2.gz QXLDPWNPMLVAMW-KDOFPFPSSA-N 1 1 298.430 3.190 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2ccsc2Cl)C1 ZINC000968386614 613735369 /nfs/dbraw/zinc/73/53/69/613735369.db2.gz MKXXOHJHXOWNQI-ZYHUDNBSSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)CC2CCCCCC2)[C@H](C)C1 ZINC000943206561 613742372 /nfs/dbraw/zinc/74/23/72/613742372.db2.gz BTKWSUWXQZLYMU-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941008285 613745865 /nfs/dbraw/zinc/74/58/65/613745865.db2.gz MBHFLKDXIULDTH-HUUCEWRRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)cc2C)C[C@H]1C ZINC000947993445 613751630 /nfs/dbraw/zinc/75/16/30/613751630.db2.gz BOVUHZPCZFSFLJ-HZPDHXFCSA-N 1 1 286.419 3.072 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2occc2C(C)C)C[C@H]1C ZINC000947652824 613763026 /nfs/dbraw/zinc/76/30/26/613763026.db2.gz FGJYCXSHEPWMJZ-ZIAGYGMSSA-N 1 1 290.407 3.172 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C(C)=C2CCCC2)C[C@H]1C ZINC000947191789 613779405 /nfs/dbraw/zinc/77/94/05/613779405.db2.gz XYSJDAQOFZIVRK-CJNGLKHVSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)CC2CCCCCC2)[C@@H](C)C1 ZINC000943206562 613780815 /nfs/dbraw/zinc/78/08/15/613780815.db2.gz BTKWSUWXQZLYMU-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C(C)(C)CC)C2)C1 ZINC000961242819 613804832 /nfs/dbraw/zinc/80/48/32/613804832.db2.gz WHOBMBKAHWVIQX-CVEARBPZSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C(C)(C)C1 ZINC000974589036 613807525 /nfs/dbraw/zinc/80/75/25/613807525.db2.gz RXLWVBAXYPSGCC-RRFJBIMHSA-N 1 1 292.467 3.071 20 30 CGEDMO C#CC[N@H+](CCCC(=O)Nc1c(C)cccc1C)C(C)C ZINC000932392879 617717605 /nfs/dbraw/zinc/71/76/05/617717605.db2.gz DABBPHIAMVCKJS-UHFFFAOYSA-N 1 1 286.419 3.366 20 30 CGEDMO C#CC[N@H+](CC/C=C\c1cncc(OC)c1)C(C)(C)C ZINC000932462354 617763749 /nfs/dbraw/zinc/76/37/49/617763749.db2.gz WGCVOENWMZHEDP-CLFYSBASSA-N 1 1 272.392 3.227 20 30 CGEDMO C#CCC1([NH2+][C@@H](C)c2noc(-c3ccccc3)n2)CCC1 ZINC000933296086 618192669 /nfs/dbraw/zinc/19/26/69/618192669.db2.gz AOQVEZJWJTUZEE-ZDUSSCGKSA-N 1 1 281.359 3.333 20 30 CGEDMO CC[N@@H+](C)Cc1cccc(CNc2cc(C)cc(C#N)n2)c1 ZINC000891965823 618438616 /nfs/dbraw/zinc/43/86/16/618438616.db2.gz UHXIIHJDPXVVAJ-UHFFFAOYSA-N 1 1 294.402 3.326 20 30 CGEDMO CC(C)CC(N)=[NH+]OCc1cc(-c2cccs2)on1 ZINC000065204280 618450709 /nfs/dbraw/zinc/45/07/09/618450709.db2.gz WCMJWQKWJMSHOZ-UHFFFAOYSA-N 1 1 279.365 3.238 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000934465622 618625269 /nfs/dbraw/zinc/62/52/69/618625269.db2.gz NAJUNDAOZPFVCD-CYBMUJFWSA-N 1 1 287.338 3.335 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000934465622 618625271 /nfs/dbraw/zinc/62/52/71/618625271.db2.gz NAJUNDAOZPFVCD-CYBMUJFWSA-N 1 1 287.338 3.335 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1ccc(OCc2nccn2C)cc1 ZINC000934464727 618625472 /nfs/dbraw/zinc/62/54/72/618625472.db2.gz AXWHTNSRZSTMCC-INIZCTEOSA-N 1 1 297.402 3.150 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1CCC(=O)Nc1cccc(F)c1C ZINC000934466995 618625763 /nfs/dbraw/zinc/62/57/63/618625763.db2.gz LSERJWIWXGJKRI-CYBMUJFWSA-N 1 1 276.355 3.113 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000934467362 618625821 /nfs/dbraw/zinc/62/58/21/618625821.db2.gz XWZDSBSCSPTVDU-LLVKDONJSA-N 1 1 291.301 3.165 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000934467362 618625827 /nfs/dbraw/zinc/62/58/27/618625827.db2.gz XWZDSBSCSPTVDU-LLVKDONJSA-N 1 1 291.301 3.165 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1CCC(=O)Nc1ccc(Cl)cc1F ZINC000934469578 618626768 /nfs/dbraw/zinc/62/67/68/618626768.db2.gz FNTQUDNZZHNQPW-LBPRGKRZSA-N 1 1 296.773 3.458 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCCC[C@@H]([C@H]2CCOC2)C1 ZINC000934835837 618701379 /nfs/dbraw/zinc/70/13/79/618701379.db2.gz XEIWVYRTKDFBJS-CABCVRRESA-N 1 1 264.413 3.065 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000934874960 618707313 /nfs/dbraw/zinc/70/73/13/618707313.db2.gz CPWJXWKSHOTXML-CZUORRHYSA-N 1 1 287.407 3.324 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)c1 ZINC000934880601 618708755 /nfs/dbraw/zinc/70/87/55/618708755.db2.gz PFEULQWMCPNVDR-ZIAGYGMSSA-N 1 1 287.407 3.276 20 30 CGEDMO C=CCc1cc(CNc2ccc(C)c[nH+]2)cc(OC)c1O ZINC000157454172 618722409 /nfs/dbraw/zinc/72/24/09/618722409.db2.gz IRVVZWIJJODDBY-UHFFFAOYSA-N 1 1 284.359 3.445 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)C1CC1 ZINC000179484792 618786739 /nfs/dbraw/zinc/78/67/39/618786739.db2.gz NJLZYLDQOQZQKH-CYBMUJFWSA-N 1 1 258.365 3.350 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C2CCCCCC2)C1 ZINC001006899882 618798300 /nfs/dbraw/zinc/79/83/00/618798300.db2.gz UIZGLVPUIRQNEH-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C[C@@H]1CC[N@@H+](CCCOc2ccc(C#N)cc2)[C@@H]1C ZINC000177867169 618846988 /nfs/dbraw/zinc/84/69/88/618846988.db2.gz OYWTZCVDYQKFKT-ZIAGYGMSSA-N 1 1 258.365 3.057 20 30 CGEDMO C#CCCNc1cc[nH+]c2cc(Br)ccc12 ZINC000309392769 618873139 /nfs/dbraw/zinc/87/31/39/618873139.db2.gz UAONPJOFMXMARV-UHFFFAOYSA-N 1 1 275.149 3.433 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001007398215 618888094 /nfs/dbraw/zinc/88/80/94/618888094.db2.gz YXPFCYWDVXLWPG-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@]2(C)CC=CCC2)C1 ZINC001007408867 618889024 /nfs/dbraw/zinc/88/90/24/618889024.db2.gz BFFFNASKXIRYTA-SJLPKXTDSA-N 1 1 290.451 3.280 20 30 CGEDMO CC[N@H+](CCC#N)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000164199336 618893251 /nfs/dbraw/zinc/89/32/51/618893251.db2.gz JEIYEJUKZWGGBN-UHFFFAOYSA-N 1 1 290.407 3.434 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000164199336 618893252 /nfs/dbraw/zinc/89/32/52/618893252.db2.gz JEIYEJUKZWGGBN-UHFFFAOYSA-N 1 1 290.407 3.434 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H](CCO)CC1 ZINC000930752661 619073971 /nfs/dbraw/zinc/07/39/71/619073971.db2.gz AOGSNUMSYFJYIV-INIZCTEOSA-N 1 1 286.419 3.160 20 30 CGEDMO C[N@H+](C[C@@H]1CCC[C@H](C(F)(F)F)O1)[C@@H]1CCC[C@@H]1C#N ZINC000931473555 619178178 /nfs/dbraw/zinc/17/81/78/619178178.db2.gz ABKKUIKGAORCPH-YVECIDJPSA-N 1 1 290.329 3.110 20 30 CGEDMO C[N@@H+](C[C@@H]1CCC[C@H](C(F)(F)F)O1)[C@@H]1CCC[C@@H]1C#N ZINC000931473555 619178182 /nfs/dbraw/zinc/17/81/82/619178182.db2.gz ABKKUIKGAORCPH-YVECIDJPSA-N 1 1 290.329 3.110 20 30 CGEDMO C=C(Br)C[N@H+](Cc1ccccc1)[C@@H](C)CCO ZINC000093311086 619183237 /nfs/dbraw/zinc/18/32/37/619183237.db2.gz ZNQMZHCUGXHIIE-ZDUSSCGKSA-N 1 1 298.224 3.168 20 30 CGEDMO C=C(Br)C[N@@H+](Cc1ccccc1)[C@@H](C)CCO ZINC000093311086 619183239 /nfs/dbraw/zinc/18/32/39/619183239.db2.gz ZNQMZHCUGXHIIE-ZDUSSCGKSA-N 1 1 298.224 3.168 20 30 CGEDMO Cc1[nH+]ccn1-c1ccc(NCc2cc(C#N)cs2)cn1 ZINC000093687080 619210531 /nfs/dbraw/zinc/21/05/31/619210531.db2.gz ISTAEYQYQCGABF-UHFFFAOYSA-N 1 1 295.371 3.121 20 30 CGEDMO CCCCCCCC[NH+]1CCN(C[C@@H]2CCOC2)CC1 ZINC000178500751 619229366 /nfs/dbraw/zinc/22/93/66/619229366.db2.gz TVJKZNISGHDKQG-KRWDZBQOSA-N 1 1 282.472 3.001 20 30 CGEDMO Cc1cc(F)c(C#N)c(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000894087525 619368851 /nfs/dbraw/zinc/36/88/51/619368851.db2.gz KQERXTXFVWBFMG-YHWZYXNKSA-N 1 1 273.355 3.043 20 30 CGEDMO CC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000163117730 619375144 /nfs/dbraw/zinc/37/51/44/619375144.db2.gz WALBTUOFJUFRBK-CYBMUJFWSA-N 1 1 276.767 3.013 20 30 CGEDMO CC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000163117730 619375146 /nfs/dbraw/zinc/37/51/46/619375146.db2.gz WALBTUOFJUFRBK-CYBMUJFWSA-N 1 1 276.767 3.013 20 30 CGEDMO CC1(C)C[C@H](C[N@H+]2CCC[C@](C)(C#N)C2)C(C)(C)O1 ZINC000878406523 619424710 /nfs/dbraw/zinc/42/47/10/619424710.db2.gz XJYXLRQHHHJJKI-CZUORRHYSA-N 1 1 264.413 3.206 20 30 CGEDMO C=CCc1cc(C[N@H+]2CCSC[C@H]2C)c(O)c(OC)c1 ZINC000178893448 619436301 /nfs/dbraw/zinc/43/63/01/619436301.db2.gz CYSJAKZRLSTNHP-GFCCVEGCSA-N 1 1 293.432 3.067 20 30 CGEDMO C=CC[C@H](C)[N@@H+](C)C[C@H](O)c1ccccc1Br ZINC000878692377 619444883 /nfs/dbraw/zinc/44/48/83/619444883.db2.gz YHNWVWCGODUMDP-FZMZJTMJSA-N 1 1 298.224 3.379 20 30 CGEDMO CCCCCCCCCC(=O)N1CC[NH+](CC)CC1 ZINC000108386347 619476882 /nfs/dbraw/zinc/47/68/82/619476882.db2.gz OUSFPWBJBVBVOX-UHFFFAOYSA-N 1 1 268.445 3.291 20 30 CGEDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1csc(C#N)c1 ZINC000894412133 619524702 /nfs/dbraw/zinc/52/47/02/619524702.db2.gz HNSHSZBFXKZHNJ-TZMCWYRMSA-N 1 1 278.421 3.135 20 30 CGEDMO Cc1ccccc1C[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000048872263 619648074 /nfs/dbraw/zinc/64/80/74/619648074.db2.gz RMGQKJDOFAWTNI-GOSISDBHSA-N 1 1 280.371 3.032 20 30 CGEDMO Cc1nc(CO[NH+]=C(N)C2CCCCCC2)cs1 ZINC000179005212 619734502 /nfs/dbraw/zinc/73/45/02/619734502.db2.gz SWZWLKAHUQMSEH-UHFFFAOYSA-N 1 1 267.398 3.211 20 30 CGEDMO CSCCON=C1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000794574654 619768705 /nfs/dbraw/zinc/76/87/05/619768705.db2.gz LJQKDVNDGAUZEV-AWEZNQCLSA-N 1 1 292.448 3.264 20 30 CGEDMO CSCCON=C1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000794574658 619768942 /nfs/dbraw/zinc/76/89/42/619768942.db2.gz LJQKDVNDGAUZEV-CQSZACIVSA-N 1 1 292.448 3.264 20 30 CGEDMO C[C@H](C[NH+](C)C)[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000895378521 619816701 /nfs/dbraw/zinc/81/67/01/619816701.db2.gz QVGAGRMWOCXXES-CRAIPNDOSA-N 1 1 285.435 3.110 20 30 CGEDMO C[C@H](C[NH+](C)C)[C@H]1CCCCN1Cc1ccc(C#N)cc1 ZINC000895378521 619816704 /nfs/dbraw/zinc/81/67/04/619816704.db2.gz QVGAGRMWOCXXES-CRAIPNDOSA-N 1 1 285.435 3.110 20 30 CGEDMO COC(=O)C(C)(C)C[N@@H+](CC(C)C)C[C@H](C)CCC#N ZINC000895634663 619860117 /nfs/dbraw/zinc/86/01/17/619860117.db2.gz NCSOSZDQILVBMP-CQSZACIVSA-N 1 1 282.428 3.083 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)c1 ZINC000895780821 619887013 /nfs/dbraw/zinc/88/70/13/619887013.db2.gz VQZLKOVBBPJIJJ-GASCZTMLSA-N 1 1 275.417 3.046 20 30 CGEDMO C=CCC1(O)CC[NH+](Cc2ncc(C(C)C)s2)CC1 ZINC000895835971 619895470 /nfs/dbraw/zinc/89/54/70/619895470.db2.gz SOBYOOFDBJLWPB-UHFFFAOYSA-N 1 1 280.437 3.170 20 30 CGEDMO CC(C)c1[nH+]ccn1CCNc1nc(C#N)c(Cl)s1 ZINC000895988611 619922163 /nfs/dbraw/zinc/92/21/63/619922163.db2.gz UVYDHWOOTWEHDX-UHFFFAOYSA-N 1 1 295.799 3.100 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000896227739 619970428 /nfs/dbraw/zinc/97/04/28/619970428.db2.gz NWZIOHDMAWPKOM-GHMZBOCLSA-N 1 1 278.293 3.293 20 30 CGEDMO C[C@H](CCc1cccc(F)c1)[N@H+]1CCC[C@@H](C#N)C1 ZINC000896503733 620018579 /nfs/dbraw/zinc/01/85/79/620018579.db2.gz MIAGDVZZCHXDST-HIFRSBDPSA-N 1 1 260.356 3.382 20 30 CGEDMO N#CC1(c2ccc(C[NH2+]Cc3c(O)cccc3F)cc2)CC1 ZINC000896636542 620040898 /nfs/dbraw/zinc/04/08/98/620040898.db2.gz CJTOGZROZLIWPD-UHFFFAOYSA-N 1 1 296.345 3.376 20 30 CGEDMO N#Cc1ccc(N[C@@H]2CCC[N@@H+](Cc3cccs3)C2)nc1 ZINC000896660557 620041959 /nfs/dbraw/zinc/04/19/59/620041959.db2.gz QLGPRLFKDJPHBG-CQSZACIVSA-N 1 1 298.415 3.091 20 30 CGEDMO CCc1c[nH]c2nc[nH+]c(N(C)Cc3cc(C#N)cs3)c12 ZINC000896922410 620102966 /nfs/dbraw/zinc/10/29/66/620102966.db2.gz YOSQVIQGOKLMFZ-UHFFFAOYSA-N 1 1 297.387 3.090 20 30 CGEDMO C[N@H+](Cc1ccc(Cl)nc1)Cc1ccc(F)c(C#N)c1 ZINC000121320011 620199764 /nfs/dbraw/zinc/19/97/64/620199764.db2.gz SGTWRAZLMYKJSN-UHFFFAOYSA-N 1 1 289.741 3.378 20 30 CGEDMO C[N@@H+](Cc1ccc(Cl)nc1)Cc1ccc(F)c(C#N)c1 ZINC000121320011 620199768 /nfs/dbraw/zinc/19/97/68/620199768.db2.gz SGTWRAZLMYKJSN-UHFFFAOYSA-N 1 1 289.741 3.378 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC([N@H+](C)CC2CC(C)C2)CC1 ZINC000985572427 620213883 /nfs/dbraw/zinc/21/38/83/620213883.db2.gz YHEZZQCQEBLBNX-UHFFFAOYSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)C2(C)CCCCC2)CC1 ZINC000985613626 620221902 /nfs/dbraw/zinc/22/19/02/620221902.db2.gz AVBDUUHNHNTPFS-UHFFFAOYSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C1CCC(C(=O)N2CCC([N@H+](C)C(C)C)CC2)CC1 ZINC000985619323 620222383 /nfs/dbraw/zinc/22/23/83/620222383.db2.gz QHQZYCMHUAVVRD-UHFFFAOYSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC([N@@H+](C)CC(=C)Cl)CC1 ZINC000985620425 620222437 /nfs/dbraw/zinc/22/24/37/620222437.db2.gz ZAPTUHALRABDNJ-MRXNPFEDSA-N 1 1 298.858 3.264 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000985777965 620238700 /nfs/dbraw/zinc/23/87/00/620238700.db2.gz CKROABWHAOURMF-UHFFFAOYSA-N 1 1 298.839 3.124 20 30 CGEDMO CC(C)(C)c1coc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)n1 ZINC000897945019 620453426 /nfs/dbraw/zinc/45/34/26/620453426.db2.gz WJMWJGANINSCEI-NWDGAFQWSA-N 1 1 261.369 3.144 20 30 CGEDMO C=CCCC[N@@H+](CC)Cc1ccnn1-c1ccncc1 ZINC000898245187 620496661 /nfs/dbraw/zinc/49/66/61/620496661.db2.gz XYYHXTRBSLKKTL-UHFFFAOYSA-N 1 1 270.380 3.055 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1ccnn1-c1ccncc1 ZINC000898245187 620496663 /nfs/dbraw/zinc/49/66/63/620496663.db2.gz XYYHXTRBSLKKTL-UHFFFAOYSA-N 1 1 270.380 3.055 20 30 CGEDMO CCOc1ccc(CC[N@@H+](C)Cc2cccc(C#N)n2)cc1 ZINC000898347622 620513252 /nfs/dbraw/zinc/51/32/52/620513252.db2.gz RWUXLJRMWVKBGT-UHFFFAOYSA-N 1 1 295.386 3.026 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)C2(C)CCC(C)CC2)CC1 ZINC000989766291 620523834 /nfs/dbraw/zinc/52/38/34/620523834.db2.gz WKZPNZWCBGKYNV-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)C3CCCCC3)CCC[C@@H]12 ZINC000989918750 620531905 /nfs/dbraw/zinc/53/19/05/620531905.db2.gz DJKRTQXOQHGBEY-SJLPKXTDSA-N 1 1 290.451 3.256 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)c3ccsc3)CCC[C@@H]12 ZINC000989940301 620532451 /nfs/dbraw/zinc/53/24/51/620532451.db2.gz RWNNDPTVONUGOK-GDBMZVCRSA-N 1 1 290.432 3.051 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)C3CCCCCC3)CCC[C@H]12 ZINC000990030859 620534947 /nfs/dbraw/zinc/53/49/47/620534947.db2.gz MIPYFEYVMMKFPE-FUHWJXTLSA-N 1 1 290.451 3.256 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC3(C)C)CCC[C@@H]12 ZINC000990275704 620539777 /nfs/dbraw/zinc/53/97/77/620539777.db2.gz HLRVIASWYSBQAE-IIDMSEBBSA-N 1 1 290.451 3.112 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)O[C@@H](C)c1ccc(C#N)cc1 ZINC000923887515 620549933 /nfs/dbraw/zinc/54/99/33/620549933.db2.gz GBPOXKJFCMYTFD-XJKSGUPXSA-N 1 1 286.375 3.035 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)C3CC(C)(C)C3)CCC[C@H]12 ZINC000990545760 620553918 /nfs/dbraw/zinc/55/39/18/620553918.db2.gz QEJZLALQMBGKTJ-MAUKXSAKSA-N 1 1 290.451 3.112 20 30 CGEDMO CC[C@@H](NCC[N@H+](CC)C1CC1)c1cccc(C#N)c1 ZINC000902786107 621433538 /nfs/dbraw/zinc/43/35/38/621433538.db2.gz KSOYKCXSWBIZDD-QGZVFWFLSA-N 1 1 271.408 3.083 20 30 CGEDMO CC[C@@H](NCC[N@@H+](CC)C1CC1)c1cccc(C#N)c1 ZINC000902786107 621433541 /nfs/dbraw/zinc/43/35/41/621433541.db2.gz KSOYKCXSWBIZDD-QGZVFWFLSA-N 1 1 271.408 3.083 20 30 CGEDMO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1cc(C#N)ccn1 ZINC000902898139 621480213 /nfs/dbraw/zinc/48/02/13/621480213.db2.gz YCDCTFONCVJQFW-RYUDHWBXSA-N 1 1 296.330 3.273 20 30 CGEDMO COc1ncc([C@@H](C)[NH2+]CC2(C#N)CCC2)cc1Cl ZINC000903034911 621536355 /nfs/dbraw/zinc/53/63/55/621536355.db2.gz FJKLRIOAJGVVHP-SNVBAGLBSA-N 1 1 279.771 3.088 20 30 CGEDMO N#CC1(C[NH2+][C@H]2CCc3cc(Br)ccc32)CC1 ZINC000903101197 621574097 /nfs/dbraw/zinc/57/40/97/621574097.db2.gz BZLKEXVXIOLVLG-ZDUSSCGKSA-N 1 1 291.192 3.330 20 30 CGEDMO CCCCCCCC[C@H]([NH3+])c1nc(-c2ccon2)no1 ZINC000904627966 621947570 /nfs/dbraw/zinc/94/75/70/621947570.db2.gz LHDRMLZTATWMEN-NSHDSACASA-N 1 1 278.356 3.475 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(Cc2ccc(C)s2)no1 ZINC000904722641 621956558 /nfs/dbraw/zinc/95/65/58/621956558.db2.gz VRIJPNDLWHQQAL-GFCCVEGCSA-N 1 1 277.393 3.386 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(-c2cscc2C)no1 ZINC000904694309 621958443 /nfs/dbraw/zinc/95/84/43/621958443.db2.gz CXGATOQOHZBPFS-NSHDSACASA-N 1 1 263.366 3.463 20 30 CGEDMO N#CCC[NH2+][C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000905437558 622075392 /nfs/dbraw/zinc/07/53/92/622075392.db2.gz LTOYIMDLNXGLPO-NWDGAFQWSA-N 1 1 254.255 3.065 20 30 CGEDMO C[C@@H]([NH2+]CCSCc1ccccc1C#N)c1ncco1 ZINC000924810078 622271739 /nfs/dbraw/zinc/27/17/39/622271739.db2.gz HNZIFLLFEPQKDG-GFCCVEGCSA-N 1 1 287.388 3.130 20 30 CGEDMO C[C@H]1C[C@@H](Nc2ccc(C#N)cc2Cl)CC[N@H+]1C ZINC000157964658 622988612 /nfs/dbraw/zinc/98/86/12/622988612.db2.gz GVTDQRZZCPEPNN-JQWIXIFHSA-N 1 1 263.772 3.106 20 30 CGEDMO N#Cc1ccc(CO[NH+]=C(N)CCCc2ccccc2)cc1 ZINC000060875462 623078928 /nfs/dbraw/zinc/07/89/28/623078928.db2.gz ZWTIQQQMTVEDBH-UHFFFAOYSA-N 1 1 293.370 3.370 20 30 CGEDMO COc1ccc(C[NH2+]Cc2ccc(F)cc2F)cc1C#N ZINC000087824144 623245624 /nfs/dbraw/zinc/24/56/24/623245624.db2.gz MWRNQFAJAGGZES-UHFFFAOYSA-N 1 1 288.297 3.135 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)CC3CC(C)(C)C3)CCC[C@H]12 ZINC000992134749 623445055 /nfs/dbraw/zinc/44/50/55/623445055.db2.gz YTEZAWZEVFIURV-MAUKXSAKSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3ccccc3CC)CCC[C@@H]12 ZINC000992159886 623454322 /nfs/dbraw/zinc/45/43/22/623454322.db2.gz MSQNEDDHLYOOCT-MJGOQNOKSA-N 1 1 298.430 3.162 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CC2CCCC2)[C@@H]1C ZINC000992989889 623774204 /nfs/dbraw/zinc/77/42/04/623774204.db2.gz UQPOXSWARRJBJI-HOCLYGCPSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2C)[C@@H]1C ZINC000992989744 623774587 /nfs/dbraw/zinc/77/45/87/623774587.db2.gz SEHNIZUWJOXODP-RDJZCZTQSA-N 1 1 286.419 3.154 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C=C2CCCCC2)[C@H]1C ZINC000993080295 623821730 /nfs/dbraw/zinc/82/17/30/623821730.db2.gz NZCYIBQUCAEULG-WBVHZDCISA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCO[NH+]=C(C)c1ccc(N2CCOCC2)cc1Cl ZINC000835013263 623855784 /nfs/dbraw/zinc/85/57/84/623855784.db2.gz OAROXLLCDMDROC-UHFFFAOYSA-N 1 1 294.782 3.103 20 30 CGEDMO C#CC[N@@H+](Cc1cc(-c2ccc(C)cc2)no1)C1CC1 ZINC000763955851 623886136 /nfs/dbraw/zinc/88/61/36/623886136.db2.gz GHJUKBDXYMOWBZ-UHFFFAOYSA-N 1 1 266.344 3.248 20 30 CGEDMO C#CC[N@H+](Cc1cc(-c2ccc(C)cc2)no1)C1CC1 ZINC000763955851 623886138 /nfs/dbraw/zinc/88/61/38/623886138.db2.gz GHJUKBDXYMOWBZ-UHFFFAOYSA-N 1 1 266.344 3.248 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C(F)=C2CCCC2)[C@@H]1C ZINC000993240086 623993691 /nfs/dbraw/zinc/99/36/91/623993691.db2.gz WHCQAZYDHMPWBW-DZGCQCFKSA-N 1 1 294.414 3.329 20 30 CGEDMO CC[N@H+](Cc1ccc(O[C@@H](C)C#N)cc1)CC(C)C ZINC000153689463 624022325 /nfs/dbraw/zinc/02/23/25/624022325.db2.gz VJHWGIVUDQIANP-AWEZNQCLSA-N 1 1 260.381 3.455 20 30 CGEDMO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)[NH2+]Cc1csc(C#N)c1 ZINC000921589577 625693326 /nfs/dbraw/zinc/69/33/26/625693326.db2.gz MWWYHJUFTNQLMZ-MGPQQGTHSA-N 1 1 291.464 3.076 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC)o2)[C@H]1C ZINC000993483421 624054280 /nfs/dbraw/zinc/05/42/80/624054280.db2.gz JEAWBLJSILWSSL-UKRRQHHQSA-N 1 1 290.407 3.001 20 30 CGEDMO Cc1ccc(N[NH+]=Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000916250066 624132411 /nfs/dbraw/zinc/13/24/11/624132411.db2.gz IMQXTNOYCOBLGV-UHFFFAOYSA-N 1 1 295.386 3.278 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)[C@@H]1C ZINC000994326314 624204794 /nfs/dbraw/zinc/20/47/94/624204794.db2.gz FOURZLFYLBTORO-ZFWWWQNUSA-N 1 1 298.386 3.202 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C23CCC(CC2)CC3)[C@H]1C ZINC000994447567 624227323 /nfs/dbraw/zinc/22/73/23/624227323.db2.gz AJSHQFMDJMSNCC-JBCIKUTRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C3CC3)cc2)[C@H]1C ZINC000994457637 624230578 /nfs/dbraw/zinc/23/05/78/624230578.db2.gz YDYXIRFODTXHIN-KDOFPFPSSA-N 1 1 298.430 3.333 20 30 CGEDMO C=CC[N@@H+](CC(=O)N(C)[C@H](C)c1ccccc1)C(C)C ZINC000917071717 624234253 /nfs/dbraw/zinc/23/42/53/624234253.db2.gz XZQNJTMPWWPPNP-OAHLLOKOSA-N 1 1 274.408 3.102 20 30 CGEDMO C=CC[N@H+](CC(=O)N[C@H](C)CCCC(C)C)C(C)C ZINC000917071875 624234372 /nfs/dbraw/zinc/23/43/72/624234372.db2.gz ZSSWQPMFDVYQLF-OAHLLOKOSA-N 1 1 268.445 3.214 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C3CC3)c2)[C@@H]1C ZINC000994499095 624243268 /nfs/dbraw/zinc/24/32/68/624243268.db2.gz WADDEYOZQCPJFK-KSSFIOAISA-N 1 1 298.430 3.333 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C3CC3)c2)[C@H]1C ZINC000994499099 624243579 /nfs/dbraw/zinc/24/35/79/624243579.db2.gz WADDEYOZQCPJFK-RDTXWAMCSA-N 1 1 298.430 3.333 20 30 CGEDMO C=CC[N@@H+](CC(=O)N[C@@H]1CCCc2ccccc21)C(C)C ZINC000917167161 624248523 /nfs/dbraw/zinc/24/85/23/624248523.db2.gz XSHDMGFKWCEMDU-QGZVFWFLSA-N 1 1 286.419 3.077 20 30 CGEDMO CCC[C@@H]1[C@H](C)CCC[N@H+]1Cc1cncc(C#N)c1 ZINC000930006709 624330703 /nfs/dbraw/zinc/33/07/03/624330703.db2.gz WOMVQPYGQHQBNY-CZUORRHYSA-N 1 1 257.381 3.354 20 30 CGEDMO C#CC[N@@H+](CCCSCC#N)[C@H]1CCc2ccccc21 ZINC000072515017 624415318 /nfs/dbraw/zinc/41/53/18/624415318.db2.gz UBVSLSKNIWSZSB-KRWDZBQOSA-N 1 1 284.428 3.256 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC23CCC3)CC1 ZINC000998144569 625793539 /nfs/dbraw/zinc/79/35/39/625793539.db2.gz SLVSVQBULIGIPK-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC001001122051 625891645 /nfs/dbraw/zinc/89/16/45/625891645.db2.gz ZFBGARLLKZSPMG-MRXNPFEDSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCCC(C)(C)C2)CC1 ZINC001001481238 625897956 /nfs/dbraw/zinc/89/79/56/625897956.db2.gz NMOFHDBCGHWPRY-INIZCTEOSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2CCC2)CC1 ZINC001004319791 626037003 /nfs/dbraw/zinc/03/70/03/626037003.db2.gz RPGDAWZPTYJBNA-QGZVFWFLSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)CCC2CC2)CC1 ZINC001004385210 626046479 /nfs/dbraw/zinc/04/64/79/626046479.db2.gz GYFCPVFBDVGUAK-KRWDZBQOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)/C(C)=C/C)CC1 ZINC001004402585 626047031 /nfs/dbraw/zinc/04/70/31/626047031.db2.gz QAVGEZPXAKMSIY-ZNZANGIRSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC2(C)CC2)CC1 ZINC001004492404 626063658 /nfs/dbraw/zinc/06/36/58/626063658.db2.gz ZXJSQQOIBBOVTM-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)C)CC1 ZINC001004600795 626066338 /nfs/dbraw/zinc/06/63/38/626066338.db2.gz MKNPGLDSONEYRM-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)CC2CCCC2)CC1 ZINC001005060896 626084197 /nfs/dbraw/zinc/08/41/97/626084197.db2.gz OGZOAAGTOWNCCD-UHFFFAOYSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)C2(C)CC=CC2)CC1 ZINC001005934360 626133010 /nfs/dbraw/zinc/13/30/10/626133010.db2.gz GAKCKESHXMWFPM-UHFFFAOYSA-N 1 1 296.842 3.018 20 30 CGEDMO CCCCCCCC(=O)N1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000923305046 626145109 /nfs/dbraw/zinc/14/51/09/626145109.db2.gz DFCCZWROUUJNRA-CABCVRRESA-N 1 1 266.429 3.042 20 30 CGEDMO Cc1cc(C)c(COC(=O)c2ccsc2C#N)c(C)[nH+]1 ZINC000923566179 626164170 /nfs/dbraw/zinc/16/41/70/626164170.db2.gz KXGTYPXOWYPRCB-UHFFFAOYSA-N 1 1 286.356 3.297 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@H]2C[C@@]2(C)CC)CC1 ZINC001006227427 626172884 /nfs/dbraw/zinc/17/28/84/626172884.db2.gz SQVDUIPTUAXAHO-GDBMZVCRSA-N 1 1 298.858 3.098 20 30 CGEDMO CCCCCCCC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000838136482 626194369 /nfs/dbraw/zinc/19/43/69/626194369.db2.gz AHXIXJKOTDCEEV-OAHLLOKOSA-N 1 1 268.445 3.195 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)CC1(O)CCCCC1 ZINC000839469281 626354637 /nfs/dbraw/zinc/35/46/37/626354637.db2.gz FCAYWKAMMUSFBG-UHFFFAOYSA-N 1 1 284.403 3.241 20 30 CGEDMO CCCCCCCC[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000752063262 626416909 /nfs/dbraw/zinc/41/69/09/626416909.db2.gz MRZXNQGEXJFMPX-MRXNPFEDSA-N 1 1 278.444 3.351 20 30 CGEDMO C#CC[NH+](CC#C)Cc1ccc(SC(F)F)cc1 ZINC000752074937 626417525 /nfs/dbraw/zinc/41/75/25/626417525.db2.gz FXELCGPYBMOYGI-UHFFFAOYSA-N 1 1 265.328 3.070 20 30 CGEDMO Cc1cc(Br)ccc1N=NC1C[N@H+](C)C[C@H]1C ZINC000752164316 626420390 /nfs/dbraw/zinc/42/03/90/626420390.db2.gz FGHAREWGYMSOFL-SNVBAGLBSA-N 1 1 296.212 3.107 20 30 CGEDMO Cc1cc(N=NC2C[N@H+](C)C[C@@H]2C)ccc1Br ZINC000752165782 626420733 /nfs/dbraw/zinc/42/07/33/626420733.db2.gz YYWHJWSCQIXADT-JTQLQIEISA-N 1 1 296.212 3.107 20 30 CGEDMO CC(=O)c1ccc(C#N)cc1NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000754032391 626472683 /nfs/dbraw/zinc/47/26/83/626472683.db2.gz UGPNXDANNLNJBM-OKILXGFUSA-N 1 1 299.418 3.436 20 30 CGEDMO C[C@H]1C[N@H+](C)CC1=NOc1ccccc1C(F)(F)F ZINC000754709715 626583498 /nfs/dbraw/zinc/58/34/98/626583498.db2.gz NQCZIUVJXLBXTF-VIFPVBQESA-N 1 1 272.270 3.022 20 30 CGEDMO C[C@H]1C[N@@H+](C)CC1=NOc1ccccc1C(F)(F)F ZINC000754709715 626583499 /nfs/dbraw/zinc/58/34/99/626583499.db2.gz NQCZIUVJXLBXTF-VIFPVBQESA-N 1 1 272.270 3.022 20 30 CGEDMO CC[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000755994241 626666822 /nfs/dbraw/zinc/66/68/22/626666822.db2.gz DUJXDRQQPODJBO-GFCCVEGCSA-N 1 1 278.783 3.474 20 30 CGEDMO C#CC[N@H+](Cc1cc(C)ccc1OC)C1CCCC1 ZINC000756912324 626741143 /nfs/dbraw/zinc/74/11/43/626741143.db2.gz QGNNAAPZGWMBJC-UHFFFAOYSA-N 1 1 257.377 3.381 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1c(C)cccc1Cl)C(C)C ZINC000757085213 626753554 /nfs/dbraw/zinc/75/35/54/626753554.db2.gz KODLURCDFHRFHF-UHFFFAOYSA-N 1 1 280.799 3.483 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1c(C)cccc1Cl)C(C)C ZINC000757085213 626753556 /nfs/dbraw/zinc/75/35/56/626753556.db2.gz KODLURCDFHRFHF-UHFFFAOYSA-N 1 1 280.799 3.483 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC000757111360 626755439 /nfs/dbraw/zinc/75/54/39/626755439.db2.gz WFJDTVZDLWNUDI-KBPBESRZSA-N 1 1 282.428 3.188 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)CCC(=O)Nc1cccc(Cl)c1 ZINC000839580420 626763033 /nfs/dbraw/zinc/76/30/33/626763033.db2.gz IPWYTGMGSKDQFN-UHFFFAOYSA-N 1 1 278.783 3.012 20 30 CGEDMO C#CCCC[N@H+](C)Cc1ccc(OC)c(Cl)c1 ZINC000839661269 626772681 /nfs/dbraw/zinc/77/26/81/626772681.db2.gz LGPMWDOOEWYYIC-UHFFFAOYSA-N 1 1 251.757 3.194 20 30 CGEDMO C[C@H](C#N)C[NH2+]Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000757906050 626813674 /nfs/dbraw/zinc/81/36/74/626813674.db2.gz HEXIGTBYZULVRX-GFCCVEGCSA-N 1 1 258.365 3.039 20 30 CGEDMO CC[N@H+]1CCC(=NOCc2ccc(F)cc2)[C@H](C)C1 ZINC000758143589 626830847 /nfs/dbraw/zinc/83/08/47/626830847.db2.gz HMIXVZBVXFHPAZ-GFCCVEGCSA-N 1 1 264.344 3.060 20 30 CGEDMO CCCCCCCCC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000758200010 626832867 /nfs/dbraw/zinc/83/28/67/626832867.db2.gz DXOVFSRVZXUKBK-HOCLYGCPSA-N 1 1 280.456 3.336 20 30 CGEDMO C=CCCCCCCNC(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000805191157 626929638 /nfs/dbraw/zinc/92/96/38/626929638.db2.gz SLMRDXNUPNXYDO-CABCVRRESA-N 1 1 293.455 3.047 20 30 CGEDMO CC#CCCOC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000760274283 626953043 /nfs/dbraw/zinc/95/30/43/626953043.db2.gz HJDJULTWRSZXCE-MRXNPFEDSA-N 1 1 273.376 3.026 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1ccc(C(F)(F)F)cc1 ZINC000760822397 626994408 /nfs/dbraw/zinc/99/44/08/626994408.db2.gz YMXZTMJADDPVTF-UHFFFAOYSA-N 1 1 285.309 3.177 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OC(C)=O)cc1)C1CCCCC1 ZINC000762632751 627118501 /nfs/dbraw/zinc/11/85/01/627118501.db2.gz JCIFIJNNWPULPV-UHFFFAOYSA-N 1 1 285.387 3.380 20 30 CGEDMO C#CC[N@H+](Cc1cccc(OCC(F)(F)F)c1)C1CC1 ZINC000763951292 627187284 /nfs/dbraw/zinc/18/72/84/627187284.db2.gz VITMHSGPBIYFBF-UHFFFAOYSA-N 1 1 283.293 3.225 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OC(F)F)c(F)c1)C1CC1 ZINC000764680864 627218134 /nfs/dbraw/zinc/21/81/34/627218134.db2.gz CDEJPCRSSIYDCS-UHFFFAOYSA-N 1 1 269.266 3.025 20 30 CGEDMO COc1ccsc1C[NH2+]Cc1cc(C#N)ccc1F ZINC000765247684 627243415 /nfs/dbraw/zinc/24/34/15/627243415.db2.gz BYDDSJITGSOPFT-UHFFFAOYSA-N 1 1 276.336 3.057 20 30 CGEDMO C#CCCOC(=O)c1ccc(C[N@H+](CC)CCC)cc1 ZINC000765482229 627252614 /nfs/dbraw/zinc/25/26/14/627252614.db2.gz QJOKGFASFNKOLS-UHFFFAOYSA-N 1 1 273.376 3.099 20 30 CGEDMO FC(F)(F)c1ccccc1ON=C1CC[N@H+]2CCC[C@@H]12 ZINC000765583549 627260804 /nfs/dbraw/zinc/26/08/04/627260804.db2.gz HJNKBUGSKRUJIO-LBPRGKRZSA-N 1 1 284.281 3.308 20 30 CGEDMO CC(C)[C@H]1CC(=NNc2cc[nH+]cc2)c2ccccc21 ZINC000766455965 627333725 /nfs/dbraw/zinc/33/37/25/627333725.db2.gz VVKARTVVICMLFD-MRXNPFEDSA-N 1 1 265.360 3.463 20 30 CGEDMO C=CC[N@H+](CCC(=O)Nc1ccc(OCC)cc1)C(C)C ZINC000766856358 627364356 /nfs/dbraw/zinc/36/43/56/627364356.db2.gz WZNHRPBWLWGETL-UHFFFAOYSA-N 1 1 290.407 3.310 20 30 CGEDMO C#CCCC[N@@H+]1CCCC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000766896144 627367603 /nfs/dbraw/zinc/36/76/03/627367603.db2.gz QHUKMKMBLVSJDQ-LSDHHAIUSA-N 1 1 294.439 3.168 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)OCCCCn1cc[nH+]c1C ZINC000767691719 627429051 /nfs/dbraw/zinc/42/90/51/627429051.db2.gz UFLYFUFWBRIUNN-ZDUSSCGKSA-N 1 1 264.369 3.117 20 30 CGEDMO C#CCOc1ccccc1C[N@H+](CC)C1CCCC1 ZINC000768336865 627474196 /nfs/dbraw/zinc/47/41/96/627474196.db2.gz ZRDXKZUCVXQDIX-UHFFFAOYSA-N 1 1 257.377 3.463 20 30 CGEDMO C=C(C)CCOC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000768799267 627501239 /nfs/dbraw/zinc/50/12/39/627501239.db2.gz QDMLPGGYMSEYLG-MRXNPFEDSA-N 1 1 273.376 3.160 20 30 CGEDMO C=C(C)CCOC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000768799267 627501241 /nfs/dbraw/zinc/50/12/41/627501241.db2.gz QDMLPGGYMSEYLG-MRXNPFEDSA-N 1 1 273.376 3.160 20 30 CGEDMO C#CC[N@@H+](CC)Cc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000769108103 627523091 /nfs/dbraw/zinc/52/30/91/627523091.db2.gz YZZRPVODFSWMLO-UHFFFAOYSA-N 1 1 295.430 3.312 20 30 CGEDMO C#CC[N@H+](CC)Cc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000769108103 627523092 /nfs/dbraw/zinc/52/30/92/627523092.db2.gz YZZRPVODFSWMLO-UHFFFAOYSA-N 1 1 295.430 3.312 20 30 CGEDMO C#CC[NH+](CC#C)Cc1ccc(-c2ccccc2OC)cc1 ZINC000769443314 627552210 /nfs/dbraw/zinc/55/22/10/627552210.db2.gz WAHWIZINVVYVDH-UHFFFAOYSA-N 1 1 289.378 3.431 20 30 CGEDMO C#CC[N@@H+](CC#CC)Cc1cccc(-c2ccccn2)c1 ZINC000769451251 627554401 /nfs/dbraw/zinc/55/44/01/627554401.db2.gz KBFMYNQAEKPIRP-UHFFFAOYSA-N 1 1 274.367 3.207 20 30 CGEDMO C#CC[N@H+](CC#CC)Cc1cccc(-c2ccccn2)c1 ZINC000769451251 627554403 /nfs/dbraw/zinc/55/44/03/627554403.db2.gz KBFMYNQAEKPIRP-UHFFFAOYSA-N 1 1 274.367 3.207 20 30 CGEDMO C#CCOc1ccc(C[N@H+](C)Cc2cccc(C)n2)cc1 ZINC000769479985 627558682 /nfs/dbraw/zinc/55/86/82/627558682.db2.gz LRXDPRYPNJEWTO-UHFFFAOYSA-N 1 1 280.371 3.034 20 30 CGEDMO C#CC[N@@H+](C[C@@H]1CCOc2ccccc21)C1CCCC1 ZINC000769529439 627563023 /nfs/dbraw/zinc/56/30/23/627563023.db2.gz BBDMFPVWWOSEGA-HNNXBMFYSA-N 1 1 269.388 3.431 20 30 CGEDMO CCOc1ccccc1C=NOCCCn1cc[nH+]c1C ZINC000769559841 627566856 /nfs/dbraw/zinc/56/68/56/627566856.db2.gz YZTKCPPAMMVCSX-UHFFFAOYSA-N 1 1 287.363 3.031 20 30 CGEDMO CC1(C)CC(=NNCC(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000769814246 627580432 /nfs/dbraw/zinc/58/04/32/627580432.db2.gz JCECQECSFSPUFJ-UHFFFAOYSA-N 1 1 299.340 3.179 20 30 CGEDMO CC1(C)CC(=NNCC(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000769814246 627580434 /nfs/dbraw/zinc/58/04/34/627580434.db2.gz JCECQECSFSPUFJ-UHFFFAOYSA-N 1 1 299.340 3.179 20 30 CGEDMO C[N@H+]1CCCC(N=Nc2c(F)cccc2Cl)CC1 ZINC000769829038 627582673 /nfs/dbraw/zinc/58/26/73/627582673.db2.gz MMSZRVIUTKQXLG-UHFFFAOYSA-N 1 1 269.751 3.363 20 30 CGEDMO C=CC[C@H]1[N@@H+](C/C=C(\C)C(=O)OC)CCCC1(C)C ZINC000769953153 627592437 /nfs/dbraw/zinc/59/24/37/627592437.db2.gz JAACGSUXIKIVMP-KADHNRKRSA-N 1 1 265.397 3.172 20 30 CGEDMO CCCCCCCCCC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000770195933 627608008 /nfs/dbraw/zinc/60/80/08/627608008.db2.gz UJJYYWBOPOVPLG-SJORKVTESA-N 1 1 282.472 3.142 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)cc1 ZINC000770287084 627611508 /nfs/dbraw/zinc/61/15/08/627611508.db2.gz VMVPUFSVKPFXBC-HKUYNNGSSA-N 1 1 299.414 3.090 20 30 CGEDMO Cn1c[nH+]c2cc(NCc3cccc(C#N)c3)ccc21 ZINC000770590357 627629678 /nfs/dbraw/zinc/62/96/78/627629678.db2.gz ZQFWVMCYLRHJKN-UHFFFAOYSA-N 1 1 262.316 3.057 20 30 CGEDMO C[C@H]1CC(=NN[C@H]2CCCCC2(C)C)CC[N@H+]1C ZINC000773125495 627859838 /nfs/dbraw/zinc/85/98/38/627859838.db2.gz PIRRLEHNXJRHGA-JSGCOSHPSA-N 1 1 251.418 3.015 20 30 CGEDMO CC[C@@H](NCC[N@@H+]1CCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000774207051 627963183 /nfs/dbraw/zinc/96/31/83/627963183.db2.gz FQMNHLUADMHLSI-WMLDXEAASA-N 1 1 271.408 3.083 20 30 CGEDMO CC[C@@H](NCC[N@H+]1CCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000774207051 627963188 /nfs/dbraw/zinc/96/31/88/627963188.db2.gz FQMNHLUADMHLSI-WMLDXEAASA-N 1 1 271.408 3.083 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000775178414 628069925 /nfs/dbraw/zinc/06/99/25/628069925.db2.gz JVMHWXGXHHECIN-LBPRGKRZSA-N 1 1 284.315 3.308 20 30 CGEDMO C#CC[C@H](NCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC000775403777 628091716 /nfs/dbraw/zinc/09/17/16/628091716.db2.gz IWVNKPUSDQLTFE-SFHVURJKSA-N 1 1 270.420 3.073 20 30 CGEDMO C#C[C@H]([NH2+][C@H](C)c1ccccc1OC(F)F)[C@@H]1CCCO1 ZINC000775573456 628109806 /nfs/dbraw/zinc/10/98/06/628109806.db2.gz YNFCFZHTBJAXJZ-ZLDLUXBVSA-N 1 1 295.329 3.119 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000775673504 628123617 /nfs/dbraw/zinc/12/36/17/628123617.db2.gz KGHAFWFPCBSDIW-KRWDZBQOSA-N 1 1 294.439 3.286 20 30 CGEDMO CC(C)[C@@H]1CC[N@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000775765879 628133995 /nfs/dbraw/zinc/13/39/95/628133995.db2.gz UTVKORBULOQHHZ-BBRMVZONSA-N 1 1 258.365 3.208 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](SC)[C@@H](N2CCCC2)C1 ZINC000776483107 628213768 /nfs/dbraw/zinc/21/37/68/628213768.db2.gz CDBXYXUQSUMRGV-JKSUJKDBSA-N 1 1 284.513 3.468 20 30 CGEDMO CCCCCCCN1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000776483107 628213771 /nfs/dbraw/zinc/21/37/71/628213771.db2.gz CDBXYXUQSUMRGV-JKSUJKDBSA-N 1 1 284.513 3.468 20 30 CGEDMO CCCCCCC[NH2+]C1CCN(CC2CC2)CC1 ZINC000776747423 628229995 /nfs/dbraw/zinc/22/99/95/628229995.db2.gz XSINFRVDEQSPRC-UHFFFAOYSA-N 1 1 252.446 3.421 20 30 CGEDMO Cc1cc2ccccc2nc1N=NC1C[N@@H+](C2CC2)C[C@@H]1C ZINC000776786083 628232468 /nfs/dbraw/zinc/23/24/68/628232468.db2.gz PHTMYNZYFKOXCN-ZDUSSCGKSA-N 1 1 294.402 3.425 20 30 CGEDMO CC(C)[C@@H](Cc1ccccc1)NN=C1CCC[N@@H+](C)CC1 ZINC000777449243 628272216 /nfs/dbraw/zinc/27/22/16/628272216.db2.gz UIFIIRLVHAPMMI-GOSISDBHSA-N 1 1 287.451 3.315 20 30 CGEDMO C=CCSc1nc2ccccc2n1C[N@@H+](C)CC=C ZINC000777544567 628281407 /nfs/dbraw/zinc/28/14/07/628281407.db2.gz PANORHIYBHOEBI-UHFFFAOYSA-N 1 1 273.405 3.390 20 30 CGEDMO C#CC[N@@H+](CC(=O)c1cc(C)[nH]c1C)C1CCCCC1 ZINC000777561791 628282750 /nfs/dbraw/zinc/28/27/50/628282750.db2.gz QTXOKAYUEGRDBF-UHFFFAOYSA-N 1 1 272.392 3.082 20 30 CGEDMO C#CC[N@H+](CC(=O)c1cc(C)[nH]c1C)C1CCCCC1 ZINC000777561791 628282754 /nfs/dbraw/zinc/28/27/54/628282754.db2.gz QTXOKAYUEGRDBF-UHFFFAOYSA-N 1 1 272.392 3.082 20 30 CGEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1ccc2ccccc2c1 ZINC000778234734 628336549 /nfs/dbraw/zinc/33/65/49/628336549.db2.gz RYRMKBNCYRQHEC-UHFFFAOYSA-N 1 1 268.360 3.286 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)Nc1ccc2ccccc2c1 ZINC000778234734 628336550 /nfs/dbraw/zinc/33/65/50/628336550.db2.gz RYRMKBNCYRQHEC-UHFFFAOYSA-N 1 1 268.360 3.286 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)cc1 ZINC000779149759 628390237 /nfs/dbraw/zinc/39/02/37/628390237.db2.gz ORKJNXQLSZKTOM-XJKCOSOUSA-N 1 1 276.355 3.157 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)cc1 ZINC000779149759 628390241 /nfs/dbraw/zinc/39/02/41/628390241.db2.gz ORKJNXQLSZKTOM-XJKCOSOUSA-N 1 1 276.355 3.157 20 30 CGEDMO CC(N=NC1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779773951 628428953 /nfs/dbraw/zinc/42/89/53/628428953.db2.gz QREACIIHAYFNQR-KRWDZBQOSA-N 1 1 285.435 3.417 20 30 CGEDMO CCC(=NNc1cc[nH+]cc1)c1cc(C)ccc1OC ZINC000779808957 628433612 /nfs/dbraw/zinc/43/36/12/628433612.db2.gz QKDQOFINRXQTON-UHFFFAOYSA-N 1 1 269.348 3.047 20 30 CGEDMO C=CC[N@H+](CN1C[C@@](C)(C2CCCC2)CC1=O)C(C)C ZINC000780431505 628489229 /nfs/dbraw/zinc/48/92/29/628489229.db2.gz UYQUKVVSWNOOSO-KRWDZBQOSA-N 1 1 278.440 3.269 20 30 CGEDMO C=CC[N@@H+](CN1C[C@@](C)(C2CCCC2)CC1=O)C(C)C ZINC000780431505 628489230 /nfs/dbraw/zinc/48/92/30/628489230.db2.gz UYQUKVVSWNOOSO-KRWDZBQOSA-N 1 1 278.440 3.269 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2ccccc2C(F)(F)F)nc1 ZINC000780556112 628499374 /nfs/dbraw/zinc/49/93/74/628499374.db2.gz MLHQXYUXJQZQSI-UHFFFAOYSA-N 1 1 291.276 3.262 20 30 CGEDMO COc1cc(C)c(C[NH2+]Cc2cc(C#N)ccc2F)c(C)n1 ZINC000781631371 628581645 /nfs/dbraw/zinc/58/16/45/628581645.db2.gz INLICAQAQBJTLN-UHFFFAOYSA-N 1 1 299.349 3.008 20 30 CGEDMO C=C(Br)C[N@@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000782104886 628615774 /nfs/dbraw/zinc/61/57/74/628615774.db2.gz ADXADEHPNDIGRD-PWSUYJOCSA-N 1 1 258.203 3.407 20 30 CGEDMO C#CC[N@@H+](CCOC1CCC1)[C@H]1CCc2ccccc21 ZINC000805735730 628664804 /nfs/dbraw/zinc/66/48/04/628664804.db2.gz MICSSDMFBFYOEY-SFHVURJKSA-N 1 1 269.388 3.178 20 30 CGEDMO CC1(C)Cc2occc2[C@@H]([NH2+]Cc2ccc(C#N)cn2)C1 ZINC000783301028 628701415 /nfs/dbraw/zinc/70/14/15/628701415.db2.gz SHODACWSJTUVSM-HNNXBMFYSA-N 1 1 281.359 3.350 20 30 CGEDMO C=CCCC[N@H+](C)CN1C[C@H](CC(C)(C)C)OC1=O ZINC000785500633 628867704 /nfs/dbraw/zinc/86/77/04/628867704.db2.gz HBOFFGVBVNLLQU-ZDUSSCGKSA-N 1 1 268.401 3.099 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nnc(-c2cccc(F)c2)o1 ZINC000785997477 628906625 /nfs/dbraw/zinc/90/66/25/628906625.db2.gz POBPJOBUZOFIDZ-CQSZACIVSA-N 1 1 287.338 3.416 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nnc(-c2cccc(F)c2)o1 ZINC000785997477 628906631 /nfs/dbraw/zinc/90/66/31/628906631.db2.gz POBPJOBUZOFIDZ-CQSZACIVSA-N 1 1 287.338 3.416 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1ccccc1OC(F)F ZINC000787996986 629038244 /nfs/dbraw/zinc/03/82/44/629038244.db2.gz DONSXHOTAHAFQF-UHFFFAOYSA-N 1 1 253.292 3.132 20 30 CGEDMO C#CCC1(C(=O)OCCCn2cc[nH+]c2C)CCCCC1 ZINC000788211547 629041459 /nfs/dbraw/zinc/04/14/59/629041459.db2.gz MVVBDQARTGKAGC-UHFFFAOYSA-N 1 1 288.391 3.099 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)CC2CCC(C)CC2)n1 ZINC000789326030 629124531 /nfs/dbraw/zinc/12/45/31/629124531.db2.gz LKBFCKJCGWMZAA-UHFFFAOYSA-N 1 1 273.424 3.165 20 30 CGEDMO C#C[C@H](OC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1)C1CC1 ZINC000805902957 629162065 /nfs/dbraw/zinc/16/20/65/629162065.db2.gz ZCHQGBZQXUGFNE-SFHVURJKSA-N 1 1 299.414 3.486 20 30 CGEDMO C=CCC1(C(=O)OCCCCn2cc[nH+]c2C)CCC1 ZINC000791561582 629288504 /nfs/dbraw/zinc/28/85/04/629288504.db2.gz ZKKQMEBICXMEIH-UHFFFAOYSA-N 1 1 276.380 3.261 20 30 CGEDMO C#CC[N@@H+](Cc1csc(C(F)(F)F)c1)C1CC1 ZINC000862326527 629344224 /nfs/dbraw/zinc/34/42/24/629344224.db2.gz PPNOJUCATSJTQJ-UHFFFAOYSA-N 1 1 259.296 3.365 20 30 CGEDMO C#CC[N@H+](Cc1csc(C(F)(F)F)c1)C1CC1 ZINC000862326527 629344227 /nfs/dbraw/zinc/34/42/27/629344227.db2.gz PPNOJUCATSJTQJ-UHFFFAOYSA-N 1 1 259.296 3.365 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1ccsc1C(F)(F)F)[C@@H]1CCCO1 ZINC000862332899 629345261 /nfs/dbraw/zinc/34/52/61/629345261.db2.gz ZDJWRSUSJMLJSE-MNOVXSKESA-N 1 1 289.322 3.037 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)Cc2ccc3[nH]ccc3c2)n1 ZINC000862351821 629347289 /nfs/dbraw/zinc/34/72/89/629347289.db2.gz SAGLHKWBNRLLGU-UHFFFAOYSA-N 1 1 292.386 3.020 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)Cc2ccc3[nH]ccc3c2)n1 ZINC000862351821 629347293 /nfs/dbraw/zinc/34/72/93/629347293.db2.gz SAGLHKWBNRLLGU-UHFFFAOYSA-N 1 1 292.386 3.020 20 30 CGEDMO CCCCCCCCC[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000792292458 629354782 /nfs/dbraw/zinc/35/47/82/629354782.db2.gz XIXAQCVJKYNQJQ-MRXNPFEDSA-N 1 1 269.429 3.228 20 30 CGEDMO CCCCCCCNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000875765762 634731028 /nfs/dbraw/zinc/73/10/28/634731028.db2.gz YTOFUYOSVHAQKR-CVEARBPZSA-N 1 1 297.487 3.471 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](CCCCOc2ccccc2)C1 ZINC000862444584 629377537 /nfs/dbraw/zinc/37/75/37/629377537.db2.gz CQTQTQIMZXRUQG-INIZCTEOSA-N 1 1 257.377 3.191 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000862445070 629378212 /nfs/dbraw/zinc/37/82/12/629378212.db2.gz LFTKLFIUEYKZMQ-CYBMUJFWSA-N 1 1 268.335 3.219 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cc(C)ccc2OC(F)F)C1 ZINC000862444498 629378686 /nfs/dbraw/zinc/37/86/86/629378686.db2.gz AWCGAEBMXDLAJY-ZDUSSCGKSA-N 1 1 279.330 3.442 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000862446640 629380111 /nfs/dbraw/zinc/38/01/11/629380111.db2.gz CCIWZNHJUSWSIJ-QQOXCAACSA-N 1 1 268.404 3.111 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](C/C=C\c2ccc(F)c(F)c2)C1 ZINC000862448338 629381456 /nfs/dbraw/zinc/38/14/56/629381456.db2.gz XJRBOCOCINYLKG-PKXJPQMGSA-N 1 1 261.315 3.323 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC000862448336 629381666 /nfs/dbraw/zinc/38/16/66/629381666.db2.gz XJRBOCOCINYLKG-LYKUJDHUSA-N 1 1 261.315 3.323 20 30 CGEDMO C#CC[N@H+](CCCc1ccc(C)nc1)C1CCCC1 ZINC000792838011 629385266 /nfs/dbraw/zinc/38/52/66/629385266.db2.gz DYAXOZLIVPYHAW-UHFFFAOYSA-N 1 1 256.393 3.200 20 30 CGEDMO C[C@H]1C[N@@H+](CCCCC2(C#N)CCC2)C[C@@H](C2CC2)O1 ZINC000930271289 629694983 /nfs/dbraw/zinc/69/49/83/629694983.db2.gz VUAQITBRFJCKSR-HOCLYGCPSA-N 1 1 276.424 3.350 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@](C(=O)OC)(C(F)(F)F)C1 ZINC000796304312 629762221 /nfs/dbraw/zinc/76/22/21/629762221.db2.gz IRBVRPSTEMSWOR-CYBMUJFWSA-N 1 1 293.329 3.160 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000796560103 629800282 /nfs/dbraw/zinc/80/02/82/629800282.db2.gz MSWCZERZDFRUHT-MRXNPFEDSA-N 1 1 269.429 3.227 20 30 CGEDMO C#CC[N@H+](CCCCCCCO)Cc1ccccc1 ZINC000796639489 629809065 /nfs/dbraw/zinc/80/90/65/629809065.db2.gz NLRSZCWNHPFKES-UHFFFAOYSA-N 1 1 259.393 3.065 20 30 CGEDMO C#CC[N@H+](CCCOCC(F)(F)F)Cc1ccccc1 ZINC000796639585 629809267 /nfs/dbraw/zinc/80/92/67/629809267.db2.gz CULXBPPIAHJLRF-UHFFFAOYSA-N 1 1 285.309 3.091 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](c3ccccn3)C2)c1 ZINC000799195860 630156524 /nfs/dbraw/zinc/15/65/24/630156524.db2.gz MDAGACILCIFQAG-AWEZNQCLSA-N 1 1 281.334 3.082 20 30 CGEDMO CCCCCCCC[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000801543276 630342386 /nfs/dbraw/zinc/34/23/86/630342386.db2.gz VOAJKFKNYOVYGI-OAHLLOKOSA-N 1 1 267.413 3.027 20 30 CGEDMO CCCCCCCC[N@H+]1CCO[C@@H](C(=O)C2CC2)C1 ZINC000801543276 630342390 /nfs/dbraw/zinc/34/23/90/630342390.db2.gz VOAJKFKNYOVYGI-OAHLLOKOSA-N 1 1 267.413 3.027 20 30 CGEDMO CCOc1ccc([C@@H]2CCC[N@H+]2CCO[C@H](C)C#N)cc1 ZINC000801909946 630364006 /nfs/dbraw/zinc/36/40/06/630364006.db2.gz ISVMRBGNQFONAC-PBHICJAKSA-N 1 1 288.391 3.151 20 30 CGEDMO CCOc1ccc([C@H]2CCC[N@H+]2CCO[C@H](C)C#N)cc1 ZINC000801909947 630364388 /nfs/dbraw/zinc/36/43/88/630364388.db2.gz ISVMRBGNQFONAC-RHSMWYFYSA-N 1 1 288.391 3.151 20 30 CGEDMO CCC1CCC([N@@H+](CCO[C@@H](C)C#N)C2CC2)CC1 ZINC000801913132 630365316 /nfs/dbraw/zinc/36/53/16/630365316.db2.gz QQTJPSUOCPEORZ-NFOMZHRRSA-N 1 1 264.413 3.348 20 30 CGEDMO Cc1cc(OCCO[C@H](C)C#N)c2c(C)cccc2[nH+]1 ZINC000802734524 630406583 /nfs/dbraw/zinc/40/65/83/630406583.db2.gz IOPWPLOKJNUZMF-CYBMUJFWSA-N 1 1 270.332 3.159 20 30 CGEDMO C#CC[C@@H](NC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000807163145 630584276 /nfs/dbraw/zinc/58/42/76/630584276.db2.gz KXSXXHGHLQMRQM-ZWKOTPCHSA-N 1 1 298.430 3.132 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H](OCCC)CC2)cc1 ZINC000809573544 630752048 /nfs/dbraw/zinc/75/20/48/630752048.db2.gz PWLFKXXCEOKKDB-GOSISDBHSA-N 1 1 271.404 3.449 20 30 CGEDMO C#Cc1ccc(C[N@H+](CCOC)[C@@H]2CC[C@H](C)C2)cc1 ZINC000809653303 630775773 /nfs/dbraw/zinc/77/57/73/630775773.db2.gz XRGRBQUCBGAMKK-MAUKXSAKSA-N 1 1 271.404 3.305 20 30 CGEDMO C#Cc1ccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1 ZINC000809663677 630778814 /nfs/dbraw/zinc/77/88/14/630778814.db2.gz SUZXHMUDEQZZNP-UHFFFAOYSA-N 1 1 294.354 3.251 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCCCC[C@H]2C[C@@H](C)O)cc1 ZINC000809701330 630785619 /nfs/dbraw/zinc/78/56/19/630785619.db2.gz XBSFQTJHOFASOP-QAPCUYQASA-N 1 1 271.404 3.183 20 30 CGEDMO C#C[C@H]([NH2+]Cc1coc(-c2ccccc2)n1)C(C)(C)C ZINC000809781258 630806065 /nfs/dbraw/zinc/80/60/65/630806065.db2.gz LUTPHVDXQXRRHS-HNNXBMFYSA-N 1 1 268.360 3.479 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1c[nH]c(-c2ccccc2)n1)C(C)(C)C ZINC000809782165 630807503 /nfs/dbraw/zinc/80/75/03/630807503.db2.gz JLWXNHUHAMZHAO-OAHLLOKOSA-N 1 1 267.376 3.214 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000809982136 630824214 /nfs/dbraw/zinc/82/42/14/630824214.db2.gz JNJPNPIQDASLPU-SHTZXODSSA-N 1 1 296.455 3.435 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H]1COC(=O)NC1CCCC1 ZINC000810033220 630832585 /nfs/dbraw/zinc/83/25/85/630832585.db2.gz DCBBFFIQTVKCSU-INIZCTEOSA-N 1 1 294.439 3.476 20 30 CGEDMO C[C@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)CCC1(F)F ZINC000810044756 630833705 /nfs/dbraw/zinc/83/37/05/630833705.db2.gz NOOBFEYPVYFYCC-ZDUSSCGKSA-N 1 1 294.345 3.304 20 30 CGEDMO C=CCCC(C)(C)OC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810692334 630927800 /nfs/dbraw/zinc/92/78/00/630927800.db2.gz CWFPENPVIQAVBK-MRXNPFEDSA-N 1 1 285.403 3.487 20 30 CGEDMO C=C[C@@H](OC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)(C)C ZINC000810835057 630954078 /nfs/dbraw/zinc/95/40/78/630954078.db2.gz SRJAJUBCXRIXIA-MLGOLLRUSA-N 1 1 285.403 3.343 20 30 CGEDMO C#CCCCCC[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000878631391 635580058 /nfs/dbraw/zinc/58/00/58/635580058.db2.gz FYMANSFRLRYCAP-JKSUJKDBSA-N 1 1 261.409 3.214 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)cc1 ZINC000811513834 631082417 /nfs/dbraw/zinc/08/24/17/631082417.db2.gz SDSOVDRJXWOFAT-GOSISDBHSA-N 1 1 281.399 3.463 20 30 CGEDMO C[C@@H]1C(N=Nc2ccc(F)cn2)CC[N@H+]1Cc1ccccc1 ZINC000811642362 631095815 /nfs/dbraw/zinc/09/58/15/631095815.db2.gz OCYHKKKFAPALAF-CYBMUJFWSA-N 1 1 298.365 3.283 20 30 CGEDMO Cc1ccc(N=NC2CC[N@@H+](Cc3ccccc3)[C@@H]2C)nc1 ZINC000811641172 631095832 /nfs/dbraw/zinc/09/58/32/631095832.db2.gz QPQRPBRAGUNKRX-OAHLLOKOSA-N 1 1 294.402 3.452 20 30 CGEDMO Cc1cccnc1N=NC1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000811649856 631097266 /nfs/dbraw/zinc/09/72/66/631097266.db2.gz ZSKSKWOZKQVTIB-OAHLLOKOSA-N 1 1 294.402 3.452 20 30 CGEDMO C(=NNc1cc[nH+]cc1)c1ncc(-c2ccccc2)s1 ZINC000811647749 631097581 /nfs/dbraw/zinc/09/75/81/631097581.db2.gz ZGHSKDZCWDREPG-UHFFFAOYSA-N 1 1 280.356 3.073 20 30 CGEDMO CCC[N@@H+](CC)C[C@H](C)Nc1snc(Cl)c1C#N ZINC000811869636 631129139 /nfs/dbraw/zinc/12/91/39/631129139.db2.gz UBCIMXXBPPTMFY-VIFPVBQESA-N 1 1 286.832 3.200 20 30 CGEDMO CC[N@@H+](CCC(C)(C)C#N)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812852986 631326487 /nfs/dbraw/zinc/32/64/87/631326487.db2.gz MGEQHGXOAYGIHH-HOCLYGCPSA-N 1 1 274.408 3.370 20 30 CGEDMO C[C@H]1C(=NOCC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000814244018 631557345 /nfs/dbraw/zinc/55/73/45/631557345.db2.gz BKFOFAGLWDXNPX-ZDUSSCGKSA-N 1 1 258.365 3.063 20 30 CGEDMO C[C@@H]1CC(=NOCC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000814245082 631558628 /nfs/dbraw/zinc/55/86/28/631558628.db2.gz QOKWCBQXPPYJCQ-CQSZACIVSA-N 1 1 272.392 3.454 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000878991606 635673626 /nfs/dbraw/zinc/67/36/26/635673626.db2.gz LVCBYUSPDAOCLU-GVDBMIGSSA-N 1 1 270.376 3.142 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000878991606 635673627 /nfs/dbraw/zinc/67/36/27/635673627.db2.gz LVCBYUSPDAOCLU-GVDBMIGSSA-N 1 1 270.376 3.142 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](C[C@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000878991608 635673676 /nfs/dbraw/zinc/67/36/76/635673676.db2.gz LVCBYUSPDAOCLU-IXDOHACOSA-N 1 1 270.376 3.142 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](C[C@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000878991608 635673680 /nfs/dbraw/zinc/67/36/80/635673680.db2.gz LVCBYUSPDAOCLU-IXDOHACOSA-N 1 1 270.376 3.142 20 30 CGEDMO c1cc2c3c(c1)C(=[NH+]O[C@@H]1CCCCO1)CC[C@@H]3CN2 ZINC000814887519 631666128 /nfs/dbraw/zinc/66/61/28/631666128.db2.gz OMSVVCFWVJBBOF-IAQYHMDHSA-N 1 1 272.348 3.237 20 30 CGEDMO CC(C)[N@@H+]1CC(N=Nc2ccc(F)c(F)c2F)[C@@H](C)C1 ZINC000814944136 631694758 /nfs/dbraw/zinc/69/47/58/631694758.db2.gz SAFRHQBZVLONGD-VIFPVBQESA-N 1 1 285.313 3.232 20 30 CGEDMO C=CCOCC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000815047777 631705824 /nfs/dbraw/zinc/70/58/24/631705824.db2.gz IWYDRSZEABDDMP-UHFFFAOYSA-N 1 1 275.392 3.339 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@@H]1c1ccc(Br)cn1 ZINC000815111260 631718865 /nfs/dbraw/zinc/71/88/65/631718865.db2.gz KTPDQSUHBWJBHL-CQSZACIVSA-N 1 1 293.208 3.394 20 30 CGEDMO C[C@H]1C[N@H+](Cc2cc(Cl)ccc2OCC#N)[C@H]1C ZINC000815162988 631734110 /nfs/dbraw/zinc/73/41/10/631734110.db2.gz NRJWHGBWSJWVNU-QWRGUYRKSA-N 1 1 264.756 3.083 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC#N)[C@H]1C ZINC000815162988 631734112 /nfs/dbraw/zinc/73/41/12/631734112.db2.gz NRJWHGBWSJWVNU-QWRGUYRKSA-N 1 1 264.756 3.083 20 30 CGEDMO C#CCCC[N@@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000815207934 631740763 /nfs/dbraw/zinc/74/07/63/631740763.db2.gz RLLRDAZAALCIEE-OAHLLOKOSA-N 1 1 263.768 3.207 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816562942 632012569 /nfs/dbraw/zinc/01/25/69/632012569.db2.gz FAGFXFXMSWBPLT-UHFFFAOYSA-N 1 1 250.100 3.027 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@H+]1C[C@H](C)[C@@H]1C ZINC000816646295 632031455 /nfs/dbraw/zinc/03/14/55/632031455.db2.gz BIESCFKRWHVILA-RYUDHWBXSA-N 1 1 263.768 3.192 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1C[C@H](C)[C@@H]1C ZINC000816646295 632031462 /nfs/dbraw/zinc/03/14/62/632031462.db2.gz BIESCFKRWHVILA-RYUDHWBXSA-N 1 1 263.768 3.192 20 30 CGEDMO CC(C)[N@@H+](CCOCCC#N)[C@@H](C)c1ccsc1 ZINC000817288344 632115076 /nfs/dbraw/zinc/11/50/76/632115076.db2.gz XGBMOVJAJDZBHB-ZDUSSCGKSA-N 1 1 266.410 3.450 20 30 CGEDMO C[N@H+](CCc1cccc(C#N)c1)Cc1ncc(C2CC2)o1 ZINC000879433156 635787023 /nfs/dbraw/zinc/78/70/23/635787023.db2.gz PZIVAYTZZWDAFF-UHFFFAOYSA-N 1 1 281.359 3.098 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1ncc(C2CC2)o1 ZINC000879433156 635787031 /nfs/dbraw/zinc/78/70/31/635787031.db2.gz PZIVAYTZZWDAFF-UHFFFAOYSA-N 1 1 281.359 3.098 20 30 CGEDMO COc1ccc(C[NH2+][C@@H]2C[C@@]2(F)c2ccccc2)cc1C#N ZINC000818230008 632300403 /nfs/dbraw/zinc/30/04/03/632300403.db2.gz LUWVNYZQPBHYEJ-QZTJIDSGSA-N 1 1 296.345 3.294 20 30 CGEDMO C#C[C@H]([NH2+][C@@H](C)c1ccc(OC)cc1Cl)[C@@H]1CCCO1 ZINC000818337187 632310201 /nfs/dbraw/zinc/31/02/01/632310201.db2.gz IBXFDLBWQYQRTA-UVBJJODRSA-N 1 1 293.794 3.180 20 30 CGEDMO N#CCCC[C@H]([NH3+])c1nc([C@@H]2CCc3ccccc3C2)no1 ZINC000822845254 633029268 /nfs/dbraw/zinc/02/92/68/633029268.db2.gz JZRNCQYKQBUWAE-CABCVRRESA-N 1 1 296.374 3.036 20 30 CGEDMO C=CCCCCCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC000822919326 633038682 /nfs/dbraw/zinc/03/86/82/633038682.db2.gz SPHVBSZRTRPRPV-UHFFFAOYSA-N 1 1 277.412 3.259 20 30 CGEDMO N#CCCC[C@@H]([NH3+])c1nc(-c2cccc(Cl)c2F)no1 ZINC000823001814 633048077 /nfs/dbraw/zinc/04/80/77/633048077.db2.gz QSMBUARNCGVFLS-SNVBAGLBSA-N 1 1 294.717 3.223 20 30 CGEDMO N#CCCC[C@H]([NH3+])c1nc(-c2ccc(Cl)s2)no1 ZINC000823080034 633056528 /nfs/dbraw/zinc/05/65/28/633056528.db2.gz POSOBGVSTQQAGV-ZETCQYMHSA-N 1 1 282.756 3.145 20 30 CGEDMO N#CCCC[C@H]([NH3+])c1nc(-c2ccc(Cl)cc2F)no1 ZINC000823248914 633080903 /nfs/dbraw/zinc/08/09/03/633080903.db2.gz XEEXLIKYZMQBNQ-NSHDSACASA-N 1 1 294.717 3.223 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@@](C)(O)c1ccccc1 ZINC000823591663 633124652 /nfs/dbraw/zinc/12/46/52/633124652.db2.gz LZXQOJMVVLQRKO-DNVCBOLYSA-N 1 1 294.398 3.459 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000824696464 633275258 /nfs/dbraw/zinc/27/52/58/633275258.db2.gz NFMWOCUWHSTOEU-IPMKNSEASA-N 1 1 283.415 3.183 20 30 CGEDMO C=CC[N@@H+](C[C@@H]1CCN(c2ccccc2)C1)C(C)C ZINC000876596366 634864343 /nfs/dbraw/zinc/86/43/43/634864343.db2.gz HSZCGFGBHPMVJR-INIZCTEOSA-N 1 1 258.409 3.409 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000826861805 633437963 /nfs/dbraw/zinc/43/79/63/633437963.db2.gz JWLFDKVBPJOSOE-MRXNPFEDSA-N 1 1 296.418 3.162 20 30 CGEDMO C=CC[N@@H+](C[C@H]1CN(C2CCCCC2)C(=O)O1)C(C)C ZINC000827799289 633517820 /nfs/dbraw/zinc/51/78/20/633517820.db2.gz QBUPMEVCQMMWNS-HNNXBMFYSA-N 1 1 280.412 3.036 20 30 CGEDMO N#CCCCCC(=O)OC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000870732204 633638000 /nfs/dbraw/zinc/63/80/00/633638000.db2.gz FHQSCWYDCFRMCG-MRXNPFEDSA-N 1 1 292.423 3.411 20 30 CGEDMO C[C@@H](C[C@H]1CCCC[N@H+]1C)OC(=O)c1cc(C#N)cs1 ZINC000870788079 633647004 /nfs/dbraw/zinc/64/70/04/633647004.db2.gz DNUAVCJWYPHIBZ-WCQYABFASA-N 1 1 292.404 3.039 20 30 CGEDMO C#CC[N@H+](CCCc1cc(CC)no1)Cc1ccccc1 ZINC000829768663 633778381 /nfs/dbraw/zinc/77/83/81/633778381.db2.gz YBOWYWRHZHZHGY-UHFFFAOYSA-N 1 1 282.387 3.305 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](CCCOc2ccccc2)C1 ZINC000829774236 633780446 /nfs/dbraw/zinc/78/04/46/633780446.db2.gz NPSMRLYHVDPWPI-MRXNPFEDSA-N 1 1 257.377 3.191 20 30 CGEDMO CCCCCCC[N@H+]1CCN(C2CC2)C[C@@H](C)C1 ZINC000830083136 633824263 /nfs/dbraw/zinc/82/42/63/633824263.db2.gz YWSCBHGXXIWJSJ-HNNXBMFYSA-N 1 1 252.446 3.373 20 30 CGEDMO C#CC1CC[NH+]([C@@H](C)c2noc(-c3ccccc3)n2)CC1 ZINC000830345936 633854165 /nfs/dbraw/zinc/85/41/65/633854165.db2.gz ZVCSVKWVQDLCIQ-ZDUSSCGKSA-N 1 1 281.359 3.143 20 30 CGEDMO C=C(C)CN1CCC([NH2+][C@@H](C)c2cc(O)ccc2F)CC1 ZINC000872034522 633953393 /nfs/dbraw/zinc/95/33/93/633953393.db2.gz PJXUGDZPQBEMCI-ZDUSSCGKSA-N 1 1 292.398 3.222 20 30 CGEDMO N#Cc1ccsc1NC(=O)C[NH+]1CCCCCCCC1 ZINC000831933203 634015987 /nfs/dbraw/zinc/01/59/87/634015987.db2.gz YSHLULPGQLBBBO-UHFFFAOYSA-N 1 1 291.420 3.214 20 30 CGEDMO C#CCC[N@H+]1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000832276750 634041753 /nfs/dbraw/zinc/04/17/53/634041753.db2.gz AGZAFOVMVYFWNM-HNNXBMFYSA-N 1 1 253.349 3.113 20 30 CGEDMO C#CCC[N@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000832276753 634042055 /nfs/dbraw/zinc/04/20/55/634042055.db2.gz AGZAFOVMVYFWNM-OAHLLOKOSA-N 1 1 253.349 3.113 20 30 CGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(Cc2cc(C)ccc2C)no1 ZINC000872172515 634076577 /nfs/dbraw/zinc/07/65/77/634076577.db2.gz AUDURFBVOPSRKD-CYBMUJFWSA-N 1 1 291.782 3.420 20 30 CGEDMO CCCCCCCC(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000832954322 634105084 /nfs/dbraw/zinc/10/50/84/634105084.db2.gz NOOZHBAAEXJJEI-HNNXBMFYSA-N 1 1 280.456 3.290 20 30 CGEDMO CC(C)[C@H]1[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CC12CCCC2 ZINC000834392702 634160946 /nfs/dbraw/zinc/16/09/46/634160946.db2.gz MXZGUQRWKGQKIB-QZTJIDSGSA-N 1 1 298.430 3.492 20 30 CGEDMO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2nccn2CC)cc1 ZINC000834896722 634273028 /nfs/dbraw/zinc/27/30/28/634273028.db2.gz WWZAHEPZXZGBCE-CABCVRRESA-N 1 1 297.402 3.327 20 30 CGEDMO C#CCOc1ccc([C@H](C)[NH2+]Cc2cnc(CC)o2)cc1 ZINC000834898435 634274606 /nfs/dbraw/zinc/27/46/06/634274606.db2.gz CXRDTNTYUKLPCG-ZDUSSCGKSA-N 1 1 284.359 3.100 20 30 CGEDMO CC(=NOC(C)C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000834999878 634307786 /nfs/dbraw/zinc/30/77/86/634307786.db2.gz HLKSSGDHMGPIJP-UHFFFAOYSA-N 1 1 257.337 3.330 20 30 CGEDMO C#CCCCCCC[N@@H+](C)[C@@H]1CCN(CC)C[C@@H]1C ZINC000876763560 634895047 /nfs/dbraw/zinc/89/50/47/634895047.db2.gz KLVCAKFNBXFAOD-DLBZAZTESA-N 1 1 264.457 3.232 20 30 CGEDMO C#CCCCCCC[N@H+](C)[C@@H]1CCN(CC)C[C@@H]1C ZINC000876763560 634895051 /nfs/dbraw/zinc/89/50/51/634895051.db2.gz KLVCAKFNBXFAOD-DLBZAZTESA-N 1 1 264.457 3.232 20 30 CGEDMO C[NH+](C)Cc1cc(NC(=O)C#CC(C)(C)C)ccc1Cl ZINC000837598475 634946568 /nfs/dbraw/zinc/94/65/68/634946568.db2.gz RPPOFMLIPFIVCK-UHFFFAOYSA-N 1 1 292.810 3.390 20 30 CGEDMO CC(C)Oc1ccc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1C#N ZINC000877174164 635006898 /nfs/dbraw/zinc/00/68/98/635006898.db2.gz BAKNBCHRLJMBJL-CZUORRHYSA-N 1 1 287.407 3.240 20 30 CGEDMO C=CCC[N@@H+](C)Cc1nccc(C)c1Br ZINC000877465339 635047561 /nfs/dbraw/zinc/04/75/61/635047561.db2.gz RXRJTBSGXMBKGH-UHFFFAOYSA-N 1 1 269.186 3.160 20 30 CGEDMO C=CCC[N@H+](C)Cc1nccc(C)c1Br ZINC000877465339 635047565 /nfs/dbraw/zinc/04/75/65/635047565.db2.gz RXRJTBSGXMBKGH-UHFFFAOYSA-N 1 1 269.186 3.160 20 30 CGEDMO Cc1cc(N(C)C)ccc1C[N@@H+](C)CC(C)(C)C#N ZINC000840950992 635091395 /nfs/dbraw/zinc/09/13/95/635091395.db2.gz WLWPCQYRSOXFQZ-UHFFFAOYSA-N 1 1 259.397 3.043 20 30 CGEDMO N#CC1(C[NH2+]Cc2cc3c(ccnc3Cl)o2)CCC1 ZINC000877594545 635105962 /nfs/dbraw/zinc/10/59/62/635105962.db2.gz HVBXYGAMWARACX-UHFFFAOYSA-N 1 1 275.739 3.265 20 30 CGEDMO CN(C)c1ccc(C#N)cc1C[NH+]1CC(C)(CC(F)F)C1 ZINC000877605230 635108666 /nfs/dbraw/zinc/10/86/66/635108666.db2.gz PRKZKPOIXHIULU-UHFFFAOYSA-N 1 1 293.361 3.101 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000877649745 635131134 /nfs/dbraw/zinc/13/11/34/635131134.db2.gz GYWNNNMJDVUUQE-GFCCVEGCSA-N 1 1 286.325 3.358 20 30 CGEDMO Cc1ncc([C@H](C)[NH2+]Cc2cc(C#N)cnc2Cl)s1 ZINC000877685430 635146656 /nfs/dbraw/zinc/14/66/56/635146656.db2.gz ZANAEWAXTHHOIC-QMMMGPOBSA-N 1 1 292.795 3.222 20 30 CGEDMO CCn1nc(C)c(C[N@@H+](C)CCc2cccc(C#N)c2)c1C ZINC000877704399 635157453 /nfs/dbraw/zinc/15/74/53/635157453.db2.gz NYKSRNZDBDBJCT-UHFFFAOYSA-N 1 1 296.418 3.066 20 30 CGEDMO CCOc1cccc(C[N@@H+](C)CCc2cccc(C#N)c2)n1 ZINC000877705013 635157718 /nfs/dbraw/zinc/15/77/18/635157718.db2.gz ZWCZMYFNQKXVCK-UHFFFAOYSA-N 1 1 295.386 3.026 20 30 CGEDMO CCc1ccc(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)cc1 ZINC000841492814 635186616 /nfs/dbraw/zinc/18/66/16/635186616.db2.gz PPRNNDPKQCIGKC-LJQANCHMSA-N 1 1 294.398 3.286 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC000877773968 635199820 /nfs/dbraw/zinc/19/98/20/635199820.db2.gz BUZZZBSPVAPCTD-UHFFFAOYSA-N 1 1 292.467 3.151 20 30 CGEDMO C#C[C@H]([NH2+][C@@H]1COC(C)(C)C1)c1ccc(Cl)cc1F ZINC000841885539 635246255 /nfs/dbraw/zinc/24/62/55/635246255.db2.gz FYFCLCLLAZGRME-FZMZJTMJSA-N 1 1 281.758 3.311 20 30 CGEDMO C[C@H](C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1)c1ccccc1 ZINC000842147817 635297430 /nfs/dbraw/zinc/29/74/30/635297430.db2.gz JKAKXEXHVKRVHU-DNVCBOLYSA-N 1 1 294.398 3.327 20 30 CGEDMO C=CC[C@@H](C)[N@@H+](C)Cc1nccn1Cc1ccccc1 ZINC000878138313 635375250 /nfs/dbraw/zinc/37/52/50/635375250.db2.gz DYABQMBSFVRIFW-OAHLLOKOSA-N 1 1 269.392 3.328 20 30 CGEDMO C=CC[C@H](C)[N@@H+](C)Cc1cc(Br)cn1C ZINC000878188015 635402678 /nfs/dbraw/zinc/40/26/78/635402678.db2.gz CKXDDNGPJSKNDB-JTQLQIEISA-N 1 1 271.202 3.184 20 30 CGEDMO C[C@H](CC#N)[N@H+](C)C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000878188871 635403043 /nfs/dbraw/zinc/40/30/43/635403043.db2.gz OXSQYGXPVGWRRN-BMFZPTHFSA-N 1 1 258.365 3.141 20 30 CGEDMO C[C@H](CC#N)[N@@H+](C)C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000878188871 635403052 /nfs/dbraw/zinc/40/30/52/635403052.db2.gz OXSQYGXPVGWRRN-BMFZPTHFSA-N 1 1 258.365 3.141 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000878255564 635434528 /nfs/dbraw/zinc/43/45/28/635434528.db2.gz RYAGNBQRXRDCTR-HZSPNIEDSA-N 1 1 282.428 3.186 20 30 CGEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CC[C@H](C2CC2)C1)c1ccccc1 ZINC000878324066 635461076 /nfs/dbraw/zinc/46/10/76/635461076.db2.gz HPCGTOYHUUFVSY-HKUYNNGSSA-N 1 1 296.414 3.159 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@@H+]1CC[C@@H](C)[C@@H](C)C1)c1ccccc1 ZINC000878328806 635463338 /nfs/dbraw/zinc/46/33/38/635463338.db2.gz OWBPXCOSZLYGEY-JTDSTZFVSA-N 1 1 298.430 3.405 20 30 CGEDMO Cc1cc(F)cc2c1C[N@@H+](CC1(CC#N)CC1)CC2 ZINC000878559762 635556885 /nfs/dbraw/zinc/55/68/85/635556885.db2.gz RFUQIIVIBLKYAH-UHFFFAOYSA-N 1 1 258.340 3.186 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000878626142 635576531 /nfs/dbraw/zinc/57/65/31/635576531.db2.gz NOGLSICFVHRFSM-YOEHRIQHSA-N 1 1 277.383 3.017 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@@H+](Cc1cccc3c1CCOC3)C2 ZINC000878844952 635640424 /nfs/dbraw/zinc/64/04/24/635640424.db2.gz ATWLWHLBXDDIBX-UHFFFAOYSA-N 1 1 290.366 3.147 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@H+](Cc1cccc3c1CCOC3)C2 ZINC000878844952 635640428 /nfs/dbraw/zinc/64/04/28/635640428.db2.gz ATWLWHLBXDDIBX-UHFFFAOYSA-N 1 1 290.366 3.147 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2cccc3c2OCCCO3)C1 ZINC000843423941 635668558 /nfs/dbraw/zinc/66/85/58/635668558.db2.gz MCWBHBNSMIIRMO-HNNXBMFYSA-N 1 1 285.387 3.083 20 30 CGEDMO C#CCCCCC[N@@H+]1C[C@H](C)O[C@@H](CC(F)(F)F)C1 ZINC000878998085 635676673 /nfs/dbraw/zinc/67/66/73/635676673.db2.gz NLFHPOJCONPILJ-STQMWFEESA-N 1 1 277.330 3.222 20 30 CGEDMO C#Cc1cccc(N(C)C(=O)C[C@H](C)n2cc[nH+]c2CC)c1 ZINC000843789479 635781780 /nfs/dbraw/zinc/78/17/80/635781780.db2.gz RAOKWHGTRXZXCW-AWEZNQCLSA-N 1 1 295.386 3.041 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3CSC[C@H]3C2)c(Cl)c1 ZINC000879564078 635811539 /nfs/dbraw/zinc/81/15/39/635811539.db2.gz GMYDVORPAWBSRY-ZIAGYGMSSA-N 1 1 292.835 3.397 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3CSC[C@@H]3C2)c(Cl)c1 ZINC000879564072 635811578 /nfs/dbraw/zinc/81/15/78/635811578.db2.gz GMYDVORPAWBSRY-KBPBESRZSA-N 1 1 292.835 3.397 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000844374017 635884046 /nfs/dbraw/zinc/88/40/46/635884046.db2.gz UPQCNPASYLWNAB-OAHLLOKOSA-N 1 1 265.784 3.200 20 30 CGEDMO C[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000880000401 635894819 /nfs/dbraw/zinc/89/48/19/635894819.db2.gz HKGHVUNHHHMFNU-CQSZACIVSA-N 1 1 298.308 3.363 20 30 CGEDMO C[C@]1(C(F)(F)F)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000880004004 635896101 /nfs/dbraw/zinc/89/61/01/635896101.db2.gz PQEPTFQNJKEFOM-AWEZNQCLSA-N 1 1 267.294 3.312 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c1 ZINC000844436827 635900656 /nfs/dbraw/zinc/90/06/56/635900656.db2.gz RKTQWINTYDIWME-AWEZNQCLSA-N 1 1 280.293 3.319 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@]3(CC3(F)F)C2)c1 ZINC000844436827 635900658 /nfs/dbraw/zinc/90/06/58/635900658.db2.gz RKTQWINTYDIWME-AWEZNQCLSA-N 1 1 280.293 3.319 20 30 CGEDMO Cc1nccnc1[C@@H](C)[NH2+]CC#Cc1ccccc1Cl ZINC000880108086 635915284 /nfs/dbraw/zinc/91/52/84/635915284.db2.gz NCKNRCBHPLDJCE-GFCCVEGCSA-N 1 1 285.778 3.141 20 30 CGEDMO COC(=O)[C@]12CCC[C@H]1[N@H+]([C@H](C)c1ccc(C#N)cc1)CC2 ZINC000880181431 635928915 /nfs/dbraw/zinc/92/89/15/635928915.db2.gz WCFNGINREOPRJQ-QBIMZIAESA-N 1 1 298.386 3.037 20 30 CGEDMO C#CCCCCC(=O)NCCC[N@H+](CC)C1CCCCC1 ZINC000844780265 635962358 /nfs/dbraw/zinc/96/23/58/635962358.db2.gz YLIZACVRPHZXFJ-UHFFFAOYSA-N 1 1 292.467 3.341 20 30 CGEDMO CO[C@]1(C(F)(F)F)CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000880307647 635970724 /nfs/dbraw/zinc/97/07/24/635970724.db2.gz RXYTZOGBPKWCJU-CYBMUJFWSA-N 1 1 292.345 3.360 20 30 CGEDMO N#CCCCC[N@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000880574175 636023830 /nfs/dbraw/zinc/02/38/30/636023830.db2.gz IOUYKZGYSDIORF-MRXNPFEDSA-N 1 1 264.413 3.209 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC3(CCCC3)C2)ccc1F ZINC000121582267 636089324 /nfs/dbraw/zinc/08/93/24/636089324.db2.gz HKUUDMFYDCUHHU-UHFFFAOYSA-N 1 1 258.340 3.463 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+]1CCC[C@H](OC(C)C)C1 ZINC000846014368 636129812 /nfs/dbraw/zinc/12/98/12/636129812.db2.gz IXZSCKAIXIRSSX-KRWDZBQOSA-N 1 1 287.403 3.088 20 30 CGEDMO Cc1cc(C#N)ccc1NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000846749955 636223094 /nfs/dbraw/zinc/22/30/94/636223094.db2.gz IXUPDNWIQBBXNY-INIZCTEOSA-N 1 1 271.408 3.257 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(SC(=O)N(C)C)cc1 ZINC000846996988 636305215 /nfs/dbraw/zinc/30/52/15/636305215.db2.gz ZARLFEYYLLGTFW-CYBMUJFWSA-N 1 1 291.420 3.242 20 30 CGEDMO C#C[C@H]1CCC[N@H+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000847018314 636311249 /nfs/dbraw/zinc/31/12/49/636311249.db2.gz JAMYJWGLHCJKGH-JXFKEZNVSA-N 1 1 293.410 3.088 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2nc3cc(F)ccc3n2CC)C1 ZINC000847020221 636312879 /nfs/dbraw/zinc/31/28/79/636312879.db2.gz AEUDRODZJSIVTN-ZDUSSCGKSA-N 1 1 285.366 3.041 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2nc3cc(F)ccc3n2CC)C1 ZINC000847020221 636312883 /nfs/dbraw/zinc/31/28/83/636312883.db2.gz AEUDRODZJSIVTN-ZDUSSCGKSA-N 1 1 285.366 3.041 20 30 CGEDMO C#C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000847021679 636314059 /nfs/dbraw/zinc/31/40/59/636314059.db2.gz AKWYCEBBFLQWJY-ZDUSSCGKSA-N 1 1 290.794 3.014 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(C)(C)C)C1 ZINC000847026996 636317749 /nfs/dbraw/zinc/31/77/49/636317749.db2.gz JBKSLKRIOVHLMV-OAHLLOKOSA-N 1 1 298.430 3.268 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(C)(C)C)C1 ZINC000847026996 636317750 /nfs/dbraw/zinc/31/77/50/636317750.db2.gz JBKSLKRIOVHLMV-OAHLLOKOSA-N 1 1 298.430 3.268 20 30 CGEDMO C#CC[C@@H]([NH2+]Cc1nc(C(C)C)c[nH]1)c1ccccc1 ZINC000883077025 636531620 /nfs/dbraw/zinc/53/16/20/636531620.db2.gz VUMPHAPMIJSWPH-OAHLLOKOSA-N 1 1 267.376 3.387 20 30 CGEDMO CC(C)c1c[nH]c(C[NH2+][C@H]2CCc3cc(C#N)ccc32)n1 ZINC000883106220 636543141 /nfs/dbraw/zinc/54/31/41/636543141.db2.gz LSHWOPKEBKAHIJ-HNNXBMFYSA-N 1 1 280.375 3.182 20 30 CGEDMO C=CCC[C@H](Cc1ccccc1)[NH2+]Cc1ccn[nH]1 ZINC000883186828 636572095 /nfs/dbraw/zinc/57/20/95/636572095.db2.gz ADNMWXGXDBTKTH-OAHLLOKOSA-N 1 1 255.365 3.077 20 30 CGEDMO C=CC[C@H]([NH2+][C@@H]1CCCn2ccnc21)c1ccncc1 ZINC000848531123 636591476 /nfs/dbraw/zinc/59/14/76/636591476.db2.gz MOORSIDOUIOZIR-LSDHHAIUSA-N 1 1 268.364 3.020 20 30 CGEDMO CCCCC(N)=[NH+]OCc1noc(-c2ccccc2C)n1 ZINC000131269605 636601298 /nfs/dbraw/zinc/60/12/98/636601298.db2.gz AXOXHFRQSMTDQK-UHFFFAOYSA-N 1 1 288.351 3.024 20 30 CGEDMO CCc1cccc(C[N@H+](C[C@@H](C)C#N)C2CC2)c1O ZINC000848889920 636677542 /nfs/dbraw/zinc/67/75/42/636677542.db2.gz PAVUUKWVWIEICF-LBPRGKRZSA-N 1 1 258.365 3.079 20 30 CGEDMO CCc1cccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)c1O ZINC000848889920 636677546 /nfs/dbraw/zinc/67/75/46/636677546.db2.gz PAVUUKWVWIEICF-LBPRGKRZSA-N 1 1 258.365 3.079 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(/C=C/C(=O)OC)o1 ZINC000848907562 636685627 /nfs/dbraw/zinc/68/56/27/636685627.db2.gz PHWWGNMOULGNLC-WTNCMQEWSA-N 1 1 275.348 3.006 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2cccc(C)c2)C1 ZINC000848923546 636693478 /nfs/dbraw/zinc/69/34/78/636693478.db2.gz GLSMJLCUIVNZEJ-HNNXBMFYSA-N 1 1 279.387 3.230 20 30 CGEDMO C[C@@H](CC(C)(C)C#N)OC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000851203511 637301243 /nfs/dbraw/zinc/30/12/43/637301243.db2.gz BDTMWLNJGBWUCY-LRDDRELGSA-N 1 1 298.402 3.070 20 30 CGEDMO CC(C)[N@H+](Cc1cccs1)C[C@@H](O)CC1(C#N)CCC1 ZINC000885964709 637334732 /nfs/dbraw/zinc/33/47/32/637334732.db2.gz DXCQTWZXUKVMSU-AWEZNQCLSA-N 1 1 292.448 3.403 20 30 CGEDMO CC[N@@H+](C[C@@H]1C[C@@]12CCOC2)[C@H](C)c1ccc(C#N)cc1 ZINC000885965959 637336062 /nfs/dbraw/zinc/33/60/62/637336062.db2.gz ZHIOQDCWSBXABG-FHLIZLRMSA-N 1 1 284.403 3.368 20 30 CGEDMO C#CC[N@H+](Cc1nc2ccccc2n1C)C1CCCCC1 ZINC000109960234 637370052 /nfs/dbraw/zinc/37/00/52/637370052.db2.gz OFSLTXPZACGAKX-UHFFFAOYSA-N 1 1 281.403 3.341 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CCC3)CO2)C1 ZINC000886265383 637471469 /nfs/dbraw/zinc/47/14/69/637471469.db2.gz HHXTXQRCKGMWKA-HZPDHXFCSA-N 1 1 261.409 3.071 20 30 CGEDMO CSc1ccc(C[NH2+]Cc2cc(C)co2)cc1C#N ZINC000886277311 637480199 /nfs/dbraw/zinc/48/01/99/637480199.db2.gz NCQDKBOFLFGVLW-UHFFFAOYSA-N 1 1 272.373 3.471 20 30 CGEDMO C#CC[N@H+](CCO[C@@H]1CC1(F)F)[C@@H]1CCc2ccccc21 ZINC000851735651 637484176 /nfs/dbraw/zinc/48/41/76/637484176.db2.gz HNJWMTANDPWICT-HZPDHXFCSA-N 1 1 291.341 3.033 20 30 CGEDMO C[N@H+](Cc1ccc2cc[nH]c2c1)C[C@H](O)CC1(C#N)CCC1 ZINC000886310964 637493972 /nfs/dbraw/zinc/49/39/72/637493972.db2.gz ZJZLIUVVEQNAFW-MRXNPFEDSA-N 1 1 297.402 3.045 20 30 CGEDMO C=CC[N@H+](CCC(OC)OC)CC1CCCCC1 ZINC000851768693 637495858 /nfs/dbraw/zinc/49/58/58/637495858.db2.gz NNCINYXSHFZUDH-UHFFFAOYSA-N 1 1 255.402 3.064 20 30 CGEDMO C#CC[C@H]1CC[N@H+]([C@H](C)c2nnc(-c3cccs3)o2)C1 ZINC000886353736 637509049 /nfs/dbraw/zinc/50/90/49/637509049.db2.gz OIATUUYORORKQW-NEPJUHHUSA-N 1 1 287.388 3.204 20 30 CGEDMO C#CC[C@@H]1CC[N@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000886354002 637509256 /nfs/dbraw/zinc/50/92/56/637509256.db2.gz UHMQLFHCKDVCBI-QWHCGFSZSA-N 1 1 258.321 3.001 20 30 CGEDMO C#CC[C@@H]1CC[N@H+]([C@H](C)c2nnc(-c3cccs3)o2)C1 ZINC000886353739 637510116 /nfs/dbraw/zinc/51/01/16/637510116.db2.gz OIATUUYORORKQW-VXGBXAGGSA-N 1 1 287.388 3.204 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000886355529 637511872 /nfs/dbraw/zinc/51/18/72/637511872.db2.gz JWSQUBWJBGTTQJ-OAHLLOKOSA-N 1 1 295.386 3.014 20 30 CGEDMO C#C[C@](C)(CC)[NH2+]Cc1coc(-c2ccc(OC)cc2)n1 ZINC000852098497 637592360 /nfs/dbraw/zinc/59/23/60/637592360.db2.gz OTQZLJFHQDWLOO-QGZVFWFLSA-N 1 1 284.359 3.242 20 30 CGEDMO C#C[C@](C)(CC)[NH2+]Cc1ncc(Cl)cc1Cl ZINC000852102330 637595612 /nfs/dbraw/zinc/59/56/12/637595612.db2.gz WRNPHOAGOSUAAP-GFCCVEGCSA-N 1 1 257.164 3.280 20 30 CGEDMO CC(C)(C#N)CCC[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852329154 637635524 /nfs/dbraw/zinc/63/55/24/637635524.db2.gz UYLFJSLDZASUCC-GOSISDBHSA-N 1 1 296.418 3.269 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852329154 637635529 /nfs/dbraw/zinc/63/55/29/637635529.db2.gz UYLFJSLDZASUCC-GOSISDBHSA-N 1 1 296.418 3.269 20 30 CGEDMO C=CC[N@@H+](Cc1cncc(C(F)(F)F)c1)[C@H](C)COC ZINC000852356756 637642620 /nfs/dbraw/zinc/64/26/20/637642620.db2.gz NFQXTHAJYHGRFO-LLVKDONJSA-N 1 1 288.313 3.123 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+]([C@@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC000852408944 637646492 /nfs/dbraw/zinc/64/64/92/637646492.db2.gz DKSPNTOKPZUQKR-DOTOQJQBSA-N 1 1 298.386 3.060 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC000852408944 637646498 /nfs/dbraw/zinc/64/64/98/637646498.db2.gz DKSPNTOKPZUQKR-DOTOQJQBSA-N 1 1 298.386 3.060 20 30 CGEDMO C=CCC1(O)CC[NH+]([C@H](C)c2c(F)cccc2F)CC1 ZINC000886761579 637678961 /nfs/dbraw/zinc/67/89/61/637678961.db2.gz GXOLTZIAZJQDCV-GFCCVEGCSA-N 1 1 281.346 3.429 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OCC#N)cc1 ZINC000852685877 637695551 /nfs/dbraw/zinc/69/55/51/637695551.db2.gz LWIIZGHVKLWJFM-IYBDPMFKSA-N 1 1 268.360 3.272 20 30 CGEDMO CC[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000852710950 637698348 /nfs/dbraw/zinc/69/83/48/637698348.db2.gz BFQORJCROLJYRC-IAOVAPTHSA-N 1 1 272.392 3.245 20 30 CGEDMO N#Cc1ccc([C@H](O)C[N@@H+](CCC2CC2)CC2CC2)cc1 ZINC000852718049 637699771 /nfs/dbraw/zinc/69/97/71/637699771.db2.gz RMSRGIWKUXXTSR-GOSISDBHSA-N 1 1 284.403 3.104 20 30 CGEDMO N#CC1(CC[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)CCCCC1 ZINC000886818918 637706010 /nfs/dbraw/zinc/70/60/10/637706010.db2.gz LSMUKPSWJLWCMD-HOTGVXAUSA-N 1 1 276.424 3.351 20 30 CGEDMO N#CCC1(C[N@H+]2Cc3ccccc3OC3(CCC3)C2)CC1 ZINC000887149574 637763821 /nfs/dbraw/zinc/76/38/21/637763821.db2.gz BLCOGWOYNYCDJC-UHFFFAOYSA-N 1 1 282.387 3.498 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cn2ccc(-c3ccc(F)cc3)n2)C1 ZINC000853524727 637861046 /nfs/dbraw/zinc/86/10/46/637861046.db2.gz OSLIGPLYSIFMRD-CQSZACIVSA-N 1 1 298.365 3.272 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cn2ccc(-c3ccc(F)cc3)n2)C1 ZINC000853524727 637861049 /nfs/dbraw/zinc/86/10/49/637861049.db2.gz OSLIGPLYSIFMRD-CQSZACIVSA-N 1 1 298.365 3.272 20 30 CGEDMO CCC[N@@H+](C)CC(C)(C)Nc1nc(Cl)c(C#N)s1 ZINC000853968779 637966421 /nfs/dbraw/zinc/96/64/21/637966421.db2.gz IOUYXRMQEVKPDY-UHFFFAOYSA-N 1 1 286.832 3.200 20 30 CGEDMO Cc1ccc(NC(=[NH2+])NC[C@@H](CC(C)C)N(C)C)cc1C ZINC000104160379 638010649 /nfs/dbraw/zinc/01/06/49/638010649.db2.gz AMEJVPKULKTSCB-MRXNPFEDSA-N 1 1 290.455 3.006 20 30 CGEDMO C#CC[N@H+]1CCC[C@H](NC(=O)Nc2ccccc2C(C)C)C1 ZINC000890376276 638191681 /nfs/dbraw/zinc/19/16/81/638191681.db2.gz CKJFINOUFILJDO-HNNXBMFYSA-N 1 1 299.418 3.029 20 30 CGEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccccc2C(C)C)C1 ZINC000890376276 638191685 /nfs/dbraw/zinc/19/16/85/638191685.db2.gz CKJFINOUFILJDO-HNNXBMFYSA-N 1 1 299.418 3.029 20 30 CGEDMO C=C(CC)CNC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857281099 638488048 /nfs/dbraw/zinc/48/80/48/638488048.db2.gz BNEHIRCDWQSCQG-KRWDZBQOSA-N 1 1 286.419 3.192 20 30 CGEDMO CC[C@H]([NH2+]Cc1cc(C#N)ccc1F)c1cccc(OC)n1 ZINC000925474423 638507055 /nfs/dbraw/zinc/50/70/55/638507055.db2.gz JISHFMOQYDIEFU-HNNXBMFYSA-N 1 1 299.349 3.342 20 30 CGEDMO C=CC[C@@H](C)[C@@H](C)[N@H+]1CCOc2ccc(N)cc2C1 ZINC000925753137 638596648 /nfs/dbraw/zinc/59/66/48/638596648.db2.gz NGXPSGDSMMCKRZ-CHWSQXEVSA-N 1 1 260.381 3.064 20 30 CGEDMO C=CC[C@@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccncc1 ZINC000858139257 638640205 /nfs/dbraw/zinc/64/02/05/638640205.db2.gz QWFLELKBVYCSTP-HZPDHXFCSA-N 1 1 273.424 3.161 20 30 CGEDMO C=CC[C@@H]([NH2+][C@@H]1CCN(C)C(C)(C)C1)c1ccncc1 ZINC000858139257 638640220 /nfs/dbraw/zinc/64/02/20/638640220.db2.gz QWFLELKBVYCSTP-HZPDHXFCSA-N 1 1 273.424 3.161 20 30 CGEDMO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1COc2cc(F)cc(F)c21 ZINC000926141986 638721150 /nfs/dbraw/zinc/72/11/50/638721150.db2.gz GQNUQSFOFSZZOL-SKDRFNHKSA-N 1 1 280.318 3.316 20 30 CGEDMO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H]1COc2cc(F)cc(F)c21 ZINC000926141985 638721389 /nfs/dbraw/zinc/72/13/89/638721389.db2.gz GQNUQSFOFSZZOL-JOYOIKCWSA-N 1 1 280.318 3.316 20 30 CGEDMO CC(C)n1cc([C@@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)nn1 ZINC000926314704 638762704 /nfs/dbraw/zinc/76/27/04/638762704.db2.gz HQAALMAXKLPBTM-MLGOLLRUSA-N 1 1 295.390 3.069 20 30 CGEDMO CC(C)n1cc([C@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)nn1 ZINC000926314700 638762725 /nfs/dbraw/zinc/76/27/25/638762725.db2.gz HQAALMAXKLPBTM-BLLLJJGKSA-N 1 1 295.390 3.069 20 30 CGEDMO C=CCn1cc(C[NH2+][C@@H](C)c2c(C)oc3ccccc32)nn1 ZINC000926616802 638791321 /nfs/dbraw/zinc/79/13/21/638791321.db2.gz WMGULWBCXTWYPN-LBPRGKRZSA-N 1 1 296.374 3.370 20 30 CGEDMO COc1cc([C@@H](C)[NH2+]C2(c3ccc(C#N)cc3)CCC2)on1 ZINC000926673520 638797053 /nfs/dbraw/zinc/79/70/53/638797053.db2.gz YLQFCTBTUNVLKH-GFCCVEGCSA-N 1 1 297.358 3.285 20 30 CGEDMO COCC[N@@H+](CCCCC1(C#N)CCC1)CC(C)C ZINC000929274390 638914045 /nfs/dbraw/zinc/91/40/45/638914045.db2.gz FJPQLKUWLBEDDN-UHFFFAOYSA-N 1 1 266.429 3.455 20 30 CGEDMO Cc1ccc([C@H](C)[N@@H+](C)Cc2cncc(C#N)c2)cc1 ZINC000929277900 638914457 /nfs/dbraw/zinc/91/44/57/638914457.db2.gz XJYILDCPCNTGLP-AWEZNQCLSA-N 1 1 265.360 3.455 20 30 CGEDMO C[C@H](O)C[N@@H+](CC1CCC(C#N)CC1)C1CCCCC1 ZINC000929530596 638930838 /nfs/dbraw/zinc/93/08/38/638930838.db2.gz LPZGFQZRRKICDQ-FHERZECASA-N 1 1 278.440 3.332 20 30 CGEDMO COC(=O)c1ccc2c(c1)C[N@H+](CC1CCC(C#N)CC1)C2 ZINC000929598573 638933692 /nfs/dbraw/zinc/93/36/92/638933692.db2.gz VPQBBGWQZUONCX-UHFFFAOYSA-N 1 1 298.386 3.119 20 30 CGEDMO Cc1ccc([C@@H]2COCC[N@@H+]2CC2CCC(C#N)CC2)o1 ZINC000929666797 638938760 /nfs/dbraw/zinc/93/87/60/638938760.db2.gz NPDMYRGMFJHPFE-GPANFISMSA-N 1 1 288.391 3.291 20 30 CGEDMO Cc1ccc([C@@H]2COCC[N@H+]2CC2CCC(C#N)CC2)o1 ZINC000929666797 638938762 /nfs/dbraw/zinc/93/87/62/638938762.db2.gz NPDMYRGMFJHPFE-GPANFISMSA-N 1 1 288.391 3.291 20 30 CGEDMO C[C@H]1SCC[N@@H+](CC2CCC(C#N)CC2)[C@H]1C ZINC000929675020 638939978 /nfs/dbraw/zinc/93/99/78/638939978.db2.gz ZWDAUXCETQWECF-MRFVTOPCSA-N 1 1 252.427 3.142 20 30 CGEDMO CCO[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000929678397 638940556 /nfs/dbraw/zinc/94/05/56/638940556.db2.gz JHILZLUFHRHUGT-OAHLLOKOSA-N 1 1 278.783 3.213 20 30 CGEDMO CCO[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000929678397 638940558 /nfs/dbraw/zinc/94/05/58/638940558.db2.gz JHILZLUFHRHUGT-OAHLLOKOSA-N 1 1 278.783 3.213 20 30 CGEDMO Cc1ccc(C[C@@H](C)[N@@H+](C)Cc2cncc(C#N)c2)cc1 ZINC000929686881 638940750 /nfs/dbraw/zinc/94/07/50/638940750.db2.gz XHRQUPKAZOQVGD-OAHLLOKOSA-N 1 1 279.387 3.325 20 30 CGEDMO CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1cncc(C#N)c1 ZINC000929712997 638943686 /nfs/dbraw/zinc/94/36/86/638943686.db2.gz ZHBLEOUUZNUFIY-GOSISDBHSA-N 1 1 279.387 3.406 20 30 CGEDMO Cc1[nH]c(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(C)[nH+]1 ZINC000929756335 638947357 /nfs/dbraw/zinc/94/73/57/638947357.db2.gz DWFKYUZFDIQDRC-WMZOPIPTSA-N 1 1 294.402 3.298 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCC3(C2)CCOCC3)c1 ZINC000929757517 638947682 /nfs/dbraw/zinc/94/76/82/638947682.db2.gz RWXCUVXGRMBFIU-UHFFFAOYSA-N 1 1 290.794 3.214 20 30 CGEDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cc1cncc(C#N)c1 ZINC000929770312 638949266 /nfs/dbraw/zinc/94/92/66/638949266.db2.gz WBFHZTMXTDTFHB-BEFAXECRSA-N 1 1 291.398 3.406 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000929819311 638954434 /nfs/dbraw/zinc/95/44/34/638954434.db2.gz XZWPEMUDZJMTDB-GOSISDBHSA-N 1 1 296.370 3.342 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000929819311 638954435 /nfs/dbraw/zinc/95/44/35/638954435.db2.gz XZWPEMUDZJMTDB-GOSISDBHSA-N 1 1 296.370 3.342 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(C(=O)OC)c2cccnc12 ZINC000930253597 638986436 /nfs/dbraw/zinc/98/64/36/638986436.db2.gz WKYQPQPBIXKXSW-UHFFFAOYSA-N 1 1 284.359 3.029 20 30 CGEDMO C[C@@H](CO)[N@H+](Cc1cc(Cl)cc(C#N)c1)CC1CCC1 ZINC000930292397 638988942 /nfs/dbraw/zinc/98/89/42/638988942.db2.gz GJQBXWULYJFTLS-LBPRGKRZSA-N 1 1 292.810 3.195 20 30 CGEDMO Cc1ccc(C[N@@H+](CCO)Cc2c(C)cc(C#N)cc2C)o1 ZINC000930294974 638989164 /nfs/dbraw/zinc/98/91/64/638989164.db2.gz GGGBCEIUNKWDBA-UHFFFAOYSA-N 1 1 298.386 3.071 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2c(C)cc(C#N)cc2C)[C@H](C)C1 ZINC000930324215 638990902 /nfs/dbraw/zinc/99/09/02/638990902.db2.gz QUEALJYRBOJGQJ-ZBFHGGJFSA-N 1 1 272.392 3.174 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCC[C@@H]2[C@H]2CCCO2)CCC1 ZINC000930365806 638993220 /nfs/dbraw/zinc/99/32/20/638993220.db2.gz RMRVJYWBZPDAHO-HZPDHXFCSA-N 1 1 276.424 3.494 20 30 CGEDMO CCC[C@@]1(CO)CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000930506036 639013246 /nfs/dbraw/zinc/01/32/46/639013246.db2.gz ZQBVCZLJRUCIIX-MRXNPFEDSA-N 1 1 292.810 3.196 20 30 CGEDMO N#Cc1c(Cl)nsc1NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000858779960 639022000 /nfs/dbraw/zinc/02/20/00/639022000.db2.gz FMZGCGNNIVDXDG-SNVBAGLBSA-N 1 1 296.827 3.097 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](O)C23CCCC3)c1 ZINC000930570449 639027710 /nfs/dbraw/zinc/02/77/10/639027710.db2.gz GWRXYXFRNFHOKC-OAHLLOKOSA-N 1 1 290.794 3.091 20 30 CGEDMO N#CC1(CCCC[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)CCC1 ZINC000930623657 639040047 /nfs/dbraw/zinc/04/00/47/639040047.db2.gz SGOQATUYJFNMIA-BRWVUGGUSA-N 1 1 290.451 3.476 20 30 CGEDMO N#CC1(CCCC[N@@H+]2CCCC[C@@H]2C2(O)CC2)CCC1 ZINC000930691512 639053121 /nfs/dbraw/zinc/05/31/21/639053121.db2.gz BMZFBOUDWRQLAP-OAHLLOKOSA-N 1 1 276.424 3.230 20 30 CGEDMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)Cc1cncc(C#N)c1 ZINC000930702357 639056690 /nfs/dbraw/zinc/05/66/90/639056690.db2.gz NVFMTNJAGPTAHQ-ZDUSSCGKSA-N 1 1 283.350 3.155 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000930815436 639071291 /nfs/dbraw/zinc/07/12/91/639071291.db2.gz COYKDZAULAFPLR-HZSPNIEDSA-N 1 1 289.341 3.222 20 30 CGEDMO C#CC[N@@H+](C[C@H]1[C@H](c2ccccc2)C1(F)F)C1CSC1 ZINC000930960469 639091698 /nfs/dbraw/zinc/09/16/98/639091698.db2.gz MOKYMNUAWOPXIU-GJZGRUSLSA-N 1 1 293.382 3.086 20 30 CGEDMO C#CC[N@H+](C[C@H]1[C@H](c2ccccc2)C1(F)F)C1CSC1 ZINC000930960469 639091702 /nfs/dbraw/zinc/09/17/02/639091702.db2.gz MOKYMNUAWOPXIU-GJZGRUSLSA-N 1 1 293.382 3.086 20 30 CGEDMO N#CC1CCC(C[N@@H+]2CCC[C@H](CCF)C2)CC1 ZINC000931014809 639098630 /nfs/dbraw/zinc/09/86/30/639098630.db2.gz QGGLNQZQFCZRBU-SHARSMKWSA-N 1 1 252.377 3.388 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000931020642 639100330 /nfs/dbraw/zinc/10/03/30/639100330.db2.gz FFDZQHPIQLLKDZ-CABCVRRESA-N 1 1 272.392 3.174 20 30 CGEDMO C[N@@H+](CC1=CCSC1)Cc1cc(Cl)cc(C#N)c1 ZINC000931072274 639107521 /nfs/dbraw/zinc/10/75/21/639107521.db2.gz RTFWZRIQNIWBEV-UHFFFAOYSA-N 1 1 278.808 3.317 20 30 CGEDMO CC1(C)CC(C[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)C1 ZINC000859219459 639113031 /nfs/dbraw/zinc/11/30/31/639113031.db2.gz YTTAOAYAHWKRRH-QGZVFWFLSA-N 1 1 284.403 3.368 20 30 CGEDMO CCCCCCC[N@@H+](C)Cc1c[nH]c(C)c(OC)c1=O ZINC000931325192 639134815 /nfs/dbraw/zinc/13/48/15/639134815.db2.gz JFZQLXFPXYKERW-UHFFFAOYSA-N 1 1 280.412 3.094 20 30 CGEDMO COC[C@@H](C[N@H+]1CCc2c(CC#N)cccc2C1)C(C)C ZINC000931332535 639136236 /nfs/dbraw/zinc/13/62/36/639136236.db2.gz HDUKXCUDKMMZKK-QGZVFWFLSA-N 1 1 286.419 3.029 20 30 CGEDMO C=CC[C@H]1CC[N@H+](C[C@H](O)c2ccc(F)cc2C)C1 ZINC000859444685 639142122 /nfs/dbraw/zinc/14/21/22/639142122.db2.gz WQLHZHQKKLVYRB-BBRMVZONSA-N 1 1 263.356 3.066 20 30 CGEDMO C=CC[C@H]1CC[N@H+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000859444170 639142218 /nfs/dbraw/zinc/14/22/18/639142218.db2.gz FPVGJVCHMUJOLI-GJZGRUSLSA-N 1 1 294.439 3.141 20 30 CGEDMO C[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)Cc2c[nH]nc21 ZINC000931461407 639154209 /nfs/dbraw/zinc/15/42/09/639154209.db2.gz DRHBERJHMZGPQZ-CYBMUJFWSA-N 1 1 272.396 3.193 20 30 CGEDMO C[N@H+](Cc1ccc2cc[nH]c2c1)[C@@H]1CCC[C@@H]1C#N ZINC000931473578 639157765 /nfs/dbraw/zinc/15/77/65/639157765.db2.gz AMVMREOJEYABNY-GDBMZVCRSA-N 1 1 253.349 3.292 20 30 CGEDMO C[N@@H+](Cc1ccc2cc[nH]c2c1)[C@@H]1CCC[C@@H]1C#N ZINC000931473578 639157766 /nfs/dbraw/zinc/15/77/66/639157766.db2.gz AMVMREOJEYABNY-GDBMZVCRSA-N 1 1 253.349 3.292 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CC[C@H](c2cccc(F)c2)C1(C)C ZINC000859856727 639240840 /nfs/dbraw/zinc/24/08/40/639240840.db2.gz UGBYSAQBOOMRKF-XJKSGUPXSA-N 1 1 290.382 3.322 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CC[C@@H](c2cccc(F)c2)C1(C)C ZINC000859856725 639241412 /nfs/dbraw/zinc/24/14/12/639241412.db2.gz UGBYSAQBOOMRKF-CJNGLKHVSA-N 1 1 290.382 3.322 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000859891010 639250698 /nfs/dbraw/zinc/25/06/98/639250698.db2.gz VVOSIUYSTOAYHK-CQSZACIVSA-N 1 1 263.385 3.290 20 30 CGEDMO C=C(Cl)C[NH+]1CCC([C@H](O)c2cccc(OC)c2)CC1 ZINC000860132894 639287219 /nfs/dbraw/zinc/28/72/19/639287219.db2.gz KPLKYZQZXJEPEZ-INIZCTEOSA-N 1 1 295.810 3.193 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000932199665 639295951 /nfs/dbraw/zinc/29/59/51/639295951.db2.gz ZGBQNCIMGQRVMN-STQMWFEESA-N 1 1 250.411 3.362 20 30 CGEDMO C[N@@H+](CCCCC#N)Cc1cc(-c2ccccc2)n[nH]1 ZINC000934415799 639604128 /nfs/dbraw/zinc/60/41/28/639604128.db2.gz IGZGOTDYONVASZ-UHFFFAOYSA-N 1 1 268.364 3.202 20 30 CGEDMO C[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)[C@H]1CC[C@@H](C#N)C1 ZINC000934415205 639604240 /nfs/dbraw/zinc/60/42/40/639604240.db2.gz MWOJMRIBKOZTMT-CJNGLKHVSA-N 1 1 280.375 3.201 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC000934465062 639613874 /nfs/dbraw/zinc/61/38/74/639613874.db2.gz CABAVQSTKBNLQT-ZFWWWQNUSA-N 1 1 288.391 3.063 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000934469854 639615805 /nfs/dbraw/zinc/61/58/05/639615805.db2.gz IHNKXLWODMYLFZ-WMZOPIPTSA-N 1 1 298.430 3.221 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1cc(F)ccc1C ZINC000934473458 639616802 /nfs/dbraw/zinc/61/68/02/639616802.db2.gz YNXZSXGAUFHPPD-GXTWGEPZSA-N 1 1 276.355 3.112 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1cc(F)ccc1C ZINC000934473458 639616807 /nfs/dbraw/zinc/61/68/07/639616807.db2.gz YNXZSXGAUFHPPD-GXTWGEPZSA-N 1 1 276.355 3.112 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000934873313 639693562 /nfs/dbraw/zinc/69/35/62/639693562.db2.gz BUZCPXXGEATCOQ-IRXDYDNUSA-N 1 1 299.418 3.468 20 30 CGEDMO C#Cc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)cc1 ZINC000934935615 639719459 /nfs/dbraw/zinc/71/94/59/639719459.db2.gz REDRVAZFARUDDC-YOEHRIQHSA-N 1 1 299.418 3.004 20 30 CGEDMO C=C[C@H](CC)CC(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000935963498 639874997 /nfs/dbraw/zinc/87/49/97/639874997.db2.gz OALJCLGNMFSEFN-OAHLLOKOSA-N 1 1 292.423 3.162 20 30 CGEDMO C#CC[N@@H+](CC(=O)Nc1cccc(C)c1C)C1CCCC1 ZINC000155781409 639950211 /nfs/dbraw/zinc/95/02/11/639950211.db2.gz MFYKJZVINFXPCH-UHFFFAOYSA-N 1 1 284.403 3.120 20 30 CGEDMO C#CC[N@H+](CC(=O)Nc1cccc(C)c1C)C1CCCC1 ZINC000155781409 639950220 /nfs/dbraw/zinc/95/02/20/639950220.db2.gz MFYKJZVINFXPCH-UHFFFAOYSA-N 1 1 284.403 3.120 20 30 CGEDMO Cc1cc(C#N)ccc1NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000044364611 639969483 /nfs/dbraw/zinc/96/94/83/639969483.db2.gz DQRSVVSQLZXHCE-HNNXBMFYSA-N 1 1 257.381 3.009 20 30 CGEDMO CCCCCCCCN1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000189417514 640191959 /nfs/dbraw/zinc/19/19/59/640191959.db2.gz YFKFKBMGFLIRFK-INIZCTEOSA-N 1 1 284.488 3.124 20 30 CGEDMO CCCCCCCC[N@@H+]1CCN(CC(C)(C)O)C[C@@H]1C ZINC000189417514 640191963 /nfs/dbraw/zinc/19/19/63/640191963.db2.gz YFKFKBMGFLIRFK-INIZCTEOSA-N 1 1 284.488 3.124 20 30 CGEDMO CCCCCCCC[N@H+]1CCN(CC(C)(C)O)C[C@@H]1C ZINC000189417514 640191966 /nfs/dbraw/zinc/19/19/66/640191966.db2.gz YFKFKBMGFLIRFK-INIZCTEOSA-N 1 1 284.488 3.124 20 30 CGEDMO C=CC[N@H+](Cc1cccs1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000191878684 640336894 /nfs/dbraw/zinc/33/68/94/640336894.db2.gz QNDJZIDKBDNNBM-CYBMUJFWSA-N 1 1 291.416 3.222 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(OC)c(SC(F)(F)F)c1 ZINC000192225563 640359822 /nfs/dbraw/zinc/35/98/22/640359822.db2.gz YWVPQDYKQGVLJE-UHFFFAOYSA-N 1 1 289.322 3.372 20 30 CGEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@@H](C)c2ccccc2)c1 ZINC000080049655 640446380 /nfs/dbraw/zinc/44/63/80/640446380.db2.gz VIQAJACJHQIHJF-HNNXBMFYSA-N 1 1 292.382 3.299 20 30 CGEDMO C#Cc1cccc(NC(=O)C[N@H+](C)[C@@H](C)c2ccccc2)c1 ZINC000080049655 640446387 /nfs/dbraw/zinc/44/63/87/640446387.db2.gz VIQAJACJHQIHJF-HNNXBMFYSA-N 1 1 292.382 3.299 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H]1CCC=CO1 ZINC000193785418 640495824 /nfs/dbraw/zinc/49/58/24/640495824.db2.gz MIQHYEOKPYVZPA-QGZVFWFLSA-N 1 1 273.376 3.376 20 30 CGEDMO C#CC[N@H+](Cc1ccco1)[C@H]1CCc2ccccc21 ZINC000194986495 640561128 /nfs/dbraw/zinc/56/11/28/640561128.db2.gz BJGIOQCMLZOBNR-KRWDZBQOSA-N 1 1 251.329 3.402 20 30 CGEDMO C#CC[N@@H+](Cc1ccco1)[C@H]1CCc2ccccc21 ZINC000194986495 640561130 /nfs/dbraw/zinc/56/11/30/640561130.db2.gz BJGIOQCMLZOBNR-KRWDZBQOSA-N 1 1 251.329 3.402 20 30 CGEDMO C#CC[N@@H+](CCO[C@H]1CCCCO1)[C@@H]1CCc2ccccc21 ZINC000195234743 640575812 /nfs/dbraw/zinc/57/58/12/640575812.db2.gz VBPAMCVCJPBIHX-MOPGFXCFSA-N 1 1 299.414 3.152 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2c(C)coc2C)C1 ZINC001007255344 640724377 /nfs/dbraw/zinc/72/43/77/640724377.db2.gz MJXAUBKLLZMBJT-HNNXBMFYSA-N 1 1 290.407 3.057 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+](C)C[C@H]2CCCCO2)cc1 ZINC000092428286 640736654 /nfs/dbraw/zinc/73/66/54/640736654.db2.gz QZUOHGTZSOVLHC-GOSISDBHSA-N 1 1 287.403 3.090 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(F)=C1CCCC1 ZINC001017472920 640905696 /nfs/dbraw/zinc/90/56/96/640905696.db2.gz ISDFFPKKJKRPSX-GASCZTMLSA-N 1 1 292.398 3.035 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(F)=C1CCCC1 ZINC001017472920 640905699 /nfs/dbraw/zinc/90/56/99/640905699.db2.gz ISDFFPKKJKRPSX-GASCZTMLSA-N 1 1 292.398 3.035 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001007623766 640943333 /nfs/dbraw/zinc/94/33/33/640943333.db2.gz YUQNUYVBZHELEF-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001007622216 640944404 /nfs/dbraw/zinc/94/44/04/640944404.db2.gz TVXGUPLIEWZSJR-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC23CC3)C1 ZINC001007621473 640944433 /nfs/dbraw/zinc/94/44/33/640944433.db2.gz XQCVDCPLGNIZCM-CVEARBPZSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001008451902 640952301 /nfs/dbraw/zinc/95/23/01/640952301.db2.gz UTMLICZAWCKWGP-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2csc(Cl)c2)C1 ZINC001008750148 640953098 /nfs/dbraw/zinc/95/30/98/640953098.db2.gz UQKXHWMJRVHCFT-LBPRGKRZSA-N 1 1 298.839 3.172 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(C3CCC3)c2)C1 ZINC001009205091 640955818 /nfs/dbraw/zinc/95/58/18/640955818.db2.gz YHHJQHRDPIDYLO-GOSISDBHSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2csc(C)c2C)C1 ZINC001014560197 640973659 /nfs/dbraw/zinc/97/36/59/640973659.db2.gz HANJBYCXTZVJOI-CQSZACIVSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2CC(C)(C)CC(C)(C)C2)C1 ZINC001015399139 640979302 /nfs/dbraw/zinc/97/93/02/640979302.db2.gz UADFLZZLEZTEDK-HNNXBMFYSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc(Cl)c(C)c2)C1 ZINC001015652307 640983819 /nfs/dbraw/zinc/98/38/19/640983819.db2.gz ZXUCATWLPQGKRZ-CQSZACIVSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)c2cccs2)C1 ZINC001015694621 640983831 /nfs/dbraw/zinc/98/38/31/640983831.db2.gz WQBXLNCLTJVUDJ-KGLIPLIRSA-N 1 1 292.448 3.008 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(C(C)C)c2)C1 ZINC001015941869 640988028 /nfs/dbraw/zinc/98/80/28/640988028.db2.gz CEVLDRNGCFLZEZ-KRWDZBQOSA-N 1 1 286.419 3.190 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)c2cccc3ccccc32)C1 ZINC001016164381 640992993 /nfs/dbraw/zinc/99/29/93/640992993.db2.gz MPOUDDJFGYGSEB-INIZCTEOSA-N 1 1 294.398 3.220 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)CC2CCC(C)(C)CC2)C1 ZINC001016433562 640999107 /nfs/dbraw/zinc/99/91/07/640999107.db2.gz PAWAEULLNUVOLX-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H](C[N@@H+](C)CC2CCC2)C1 ZINC001017179798 641008716 /nfs/dbraw/zinc/00/87/16/641008716.db2.gz OVJVFBIYIUJAQX-INIZCTEOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[C@H]1C ZINC001017576828 641013319 /nfs/dbraw/zinc/01/33/19/641013319.db2.gz DUQHFZLZFAAMEG-TWMKSMIVSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C2CC2)cc1 ZINC001018291361 641022675 /nfs/dbraw/zinc/02/26/75/641022675.db2.gz JOQFFGFLQKKDCA-HDICACEKSA-N 1 1 296.414 3.039 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C2CC2)cc1 ZINC001018291361 641022680 /nfs/dbraw/zinc/02/26/80/641022680.db2.gz JOQFFGFLQKKDCA-HDICACEKSA-N 1 1 296.414 3.039 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)CC=C(C)C ZINC001155484188 805586426 /nfs/dbraw/zinc/58/64/26/805586426.db2.gz DFTNNAFXIQXVMF-OAHLLOKOSA-N 1 1 280.456 3.382 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)CC(C)C ZINC001156240697 805667301 /nfs/dbraw/zinc/66/73/01/805667301.db2.gz KCWAHWIWNAUULJ-OAHLLOKOSA-N 1 1 282.472 3.461 20 30 CGEDMO Cn1ccc2c1nc[nH+]c2NC(C)(C)c1ccc(C#N)cc1 ZINC001156429633 805690218 /nfs/dbraw/zinc/69/02/18/805690218.db2.gz BYYZNJBYIPFECV-UHFFFAOYSA-N 1 1 291.358 3.187 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)c1ccc(C)cc1 ZINC001156454545 805695994 /nfs/dbraw/zinc/69/59/94/805695994.db2.gz IMDKKPSIYVCBDC-CVEARBPZSA-N 1 1 288.435 3.111 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCCNc1[nH]ccc2ncc(C#N)c1-2 ZINC001156927429 805754642 /nfs/dbraw/zinc/75/46/42/805754642.db2.gz CYBFMUGGXFSGML-ZDUSSCGKSA-N 1 1 297.406 3.111 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)C12CCC(CC1)CC2 ZINC001157030513 805768581 /nfs/dbraw/zinc/76/85/81/805768581.db2.gz FANJCRZISCRNHQ-KLHKWILBSA-N 1 1 292.467 3.360 20 30 CGEDMO C[NH+](C)Cc1ccc2nc(-c3cc(C#N)ccc3F)[nH]c2c1 ZINC001250798534 805777364 /nfs/dbraw/zinc/77/73/64/805777364.db2.gz ZGKBDZXEGOROPL-UHFFFAOYSA-N 1 1 294.333 3.302 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC2CCC1CC2 ZINC001157158510 805785983 /nfs/dbraw/zinc/78/59/83/805785983.db2.gz BMYSZLHJIUIAQI-RDHHWEPZSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)C1CC1 ZINC001157154124 805786042 /nfs/dbraw/zinc/78/60/42/805786042.db2.gz XWEHHVJXQUMSHN-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(F)s1 ZINC001157256841 805793876 /nfs/dbraw/zinc/79/38/76/805793876.db2.gz XZNXVBOWYHBGPI-GFCCVEGCSA-N 1 1 298.427 3.294 20 30 CGEDMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N(C)[C@H](C)C#N)nc1 ZINC001157491490 805824079 /nfs/dbraw/zinc/82/40/79/805824079.db2.gz SQLUUWBVXVQCSV-GDBMZVCRSA-N 1 1 286.423 3.367 20 30 CGEDMO CCC[N@H+]1CCCC[C@H]1c1ccc(N(C)[C@@H](C)C#N)nc1 ZINC001157491492 805824286 /nfs/dbraw/zinc/82/42/86/805824286.db2.gz SQLUUWBVXVQCSV-HOCLYGCPSA-N 1 1 286.423 3.367 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCSCC ZINC001157630932 805844905 /nfs/dbraw/zinc/84/49/05/805844905.db2.gz ZQPSOCNRVJHLGB-OAHLLOKOSA-N 1 1 298.496 3.019 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)/C=C/C(C)(C)C ZINC001157754121 805861328 /nfs/dbraw/zinc/86/13/28/805861328.db2.gz CIDRPTAIZOGMMY-AUECHBEKSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H](C=C)CC ZINC001158370294 805945934 /nfs/dbraw/zinc/94/59/34/805945934.db2.gz SYRMDGQALDWNPH-JKSUJKDBSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)CC(=C)C ZINC001158370188 805946001 /nfs/dbraw/zinc/94/60/01/805946001.db2.gz QUEKMSRMVLNFMC-IAGOWNOFSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](C)C(C)C ZINC001158553877 805965287 /nfs/dbraw/zinc/96/52/87/805965287.db2.gz ARFBRLRPCCHKMB-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO CCCCCCCCCC[N@@H+](C)C[C@@H](O)COCC ZINC001252034620 805977891 /nfs/dbraw/zinc/97/78/91/805977891.db2.gz SCCOYAJFCDVUTR-MRXNPFEDSA-N 1 1 273.461 3.456 20 30 CGEDMO Cc1[nH+]c(N2Cc3cnc(Cl)cc3C2)ccc1CC#N ZINC001158756414 805998094 /nfs/dbraw/zinc/99/80/94/805998094.db2.gz CUTNHOZBMBURGA-UHFFFAOYSA-N 1 1 284.750 3.025 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC(=O)[C@H](F)CC1 ZINC001252123612 806012098 /nfs/dbraw/zinc/01/20/98/806012098.db2.gz KDISNJWPUUOZKT-LSDHHAIUSA-N 1 1 287.419 3.101 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+]1CCC(=O)[C@H](F)CC1 ZINC001252123612 806012107 /nfs/dbraw/zinc/01/21/07/806012107.db2.gz KDISNJWPUUOZKT-LSDHHAIUSA-N 1 1 287.419 3.101 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+]1CCC[C@@H](N(C)C)C1 ZINC001252127540 806012423 /nfs/dbraw/zinc/01/24/23/806012423.db2.gz BFEAFHKMCAKBSH-SJORKVTESA-N 1 1 284.488 3.124 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@@H](N(C)C)C1 ZINC001252127540 806012431 /nfs/dbraw/zinc/01/24/31/806012431.db2.gz BFEAFHKMCAKBSH-SJORKVTESA-N 1 1 284.488 3.124 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+]1CCC[C@H](C#N)C1 ZINC001252129689 806014658 /nfs/dbraw/zinc/01/46/58/806014658.db2.gz BHKRRGFJMGOETK-HZPDHXFCSA-N 1 1 266.429 3.333 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@H](C#N)C1 ZINC001252129689 806014665 /nfs/dbraw/zinc/01/46/65/806014665.db2.gz BHKRRGFJMGOETK-HZPDHXFCSA-N 1 1 266.429 3.333 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1C[C@@H](C)OC[C@H]1C ZINC001252129866 806014914 /nfs/dbraw/zinc/01/49/14/806014914.db2.gz GEXHDKKAMKKWDQ-OAGGEKHMSA-N 1 1 271.445 3.207 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCOC[C@@H]1CC ZINC001252129820 806015875 /nfs/dbraw/zinc/01/58/75/806015875.db2.gz FGHPSADDGZZJCP-JKSUJKDBSA-N 1 1 271.445 3.209 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1CCCC[C@H]1c1ccccc1F ZINC001252554035 806062597 /nfs/dbraw/zinc/06/25/97/806062597.db2.gz AHVIBHBRDMZIKU-HOTGVXAUSA-N 1 1 263.356 3.290 20 30 CGEDMO C=C[C@](C)(O)C[N@@H+](CC)Cc1cccc(C(F)(F)F)c1 ZINC001252555944 806063370 /nfs/dbraw/zinc/06/33/70/806063370.db2.gz CFTQGWILOJVKQI-AWEZNQCLSA-N 1 1 287.325 3.464 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCc2ccc(C(F)(F)F)cc2C1 ZINC001252599978 806080964 /nfs/dbraw/zinc/08/09/64/806080964.db2.gz RTPKWBVVWYUAMO-OAHLLOKOSA-N 1 1 299.336 3.391 20 30 CGEDMO Cc1c[nH+]c(NCC#Cc2ccccc2)nc1NC(C)C ZINC001159370813 806088233 /nfs/dbraw/zinc/08/82/33/806088233.db2.gz LFOYTQAUJYHGCP-UHFFFAOYSA-N 1 1 280.375 3.069 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)/C(C)=C/CC)CC1 ZINC001159458440 806106154 /nfs/dbraw/zinc/10/61/54/806106154.db2.gz SDYOIKDOQXSJQY-GIDUJCDVSA-N 1 1 276.424 3.057 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[N@H+]1CCN2CC[C@@H]2C1 ZINC001252982363 806145631 /nfs/dbraw/zinc/14/56/31/806145631.db2.gz CGGGSWRSXKKCBV-QZTJIDSGSA-N 1 1 296.499 3.268 20 30 CGEDMO CCCCCCCCCC[C@@H](O)CN1CC[N@@H+]2CC[C@@H]2C1 ZINC001252982363 806145635 /nfs/dbraw/zinc/14/56/35/806145635.db2.gz CGGGSWRSXKKCBV-QZTJIDSGSA-N 1 1 296.499 3.268 20 30 CGEDMO CCCCCCCCCC[C@@H](O)CN1CC[N@H+]2CC[C@@H]2C1 ZINC001252982363 806145638 /nfs/dbraw/zinc/14/56/38/806145638.db2.gz CGGGSWRSXKKCBV-QZTJIDSGSA-N 1 1 296.499 3.268 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001253228652 806183953 /nfs/dbraw/zinc/18/39/53/806183953.db2.gz VTYGAUNYMCXYCM-BZSNNMDCSA-N 1 1 295.467 3.375 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CC[C@@H](N(CC)CC)C1 ZINC001253240266 806190033 /nfs/dbraw/zinc/19/00/33/806190033.db2.gz IJSXYZAEMRHVCE-QZTJIDSGSA-N 1 1 296.499 3.290 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1CC[C@@H](N(CC)CC)C1 ZINC001253240266 806190038 /nfs/dbraw/zinc/19/00/38/806190038.db2.gz IJSXYZAEMRHVCE-QZTJIDSGSA-N 1 1 296.499 3.290 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCC(=O)C(C)(C)C1 ZINC001253238741 806190250 /nfs/dbraw/zinc/19/02/50/806190250.db2.gz DWWRROWHPYAYDU-OAHLLOKOSA-N 1 1 281.440 3.175 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@@H](OCC)C1 ZINC001253239671 806190441 /nfs/dbraw/zinc/19/04/41/806190441.db2.gz PVNCBTXJHCWKAQ-DLBZAZTESA-N 1 1 283.456 3.375 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@H](C#N)C1 ZINC001253241678 806191611 /nfs/dbraw/zinc/19/16/11/806191611.db2.gz ZGFMARPJLVHKDN-CVEARBPZSA-N 1 1 264.413 3.109 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCC[C@H](C#N)C1 ZINC001253241678 806191615 /nfs/dbraw/zinc/19/16/15/806191615.db2.gz ZGFMARPJLVHKDN-CVEARBPZSA-N 1 1 264.413 3.109 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1CCC[C@H](OC)CC1 ZINC001253240499 806191629 /nfs/dbraw/zinc/19/16/29/806191629.db2.gz MLBQZWDZWVXMEA-SJORKVTESA-N 1 1 283.456 3.375 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+](CC)CCCN(C)C ZINC001253242511 806192081 /nfs/dbraw/zinc/19/20/81/806192081.db2.gz MISRAEARIFLYBQ-KRWDZBQOSA-N 1 1 284.488 3.148 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+](CC)CCCN(C)C ZINC001253242511 806192086 /nfs/dbraw/zinc/19/20/86/806192086.db2.gz MISRAEARIFLYBQ-KRWDZBQOSA-N 1 1 284.488 3.148 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+]1CC[C@H](OC(C)C)C1 ZINC001253240978 806192333 /nfs/dbraw/zinc/19/23/33/806192333.db2.gz PZTYCMRPBXLFJE-SJORKVTESA-N 1 1 283.456 3.373 20 30 CGEDMO C=C[C@H](O)C[N@H+]1CCC[C@H]1c1ccc(Cl)s1 ZINC001253580216 806264113 /nfs/dbraw/zinc/26/41/13/806264113.db2.gz WVRAGTODSBVWIG-UWVGGRQHSA-N 1 1 257.786 3.085 20 30 CGEDMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](Nc1ccc(Cl)c(C#N)n1)C2 ZINC001160468898 806275191 /nfs/dbraw/zinc/27/51/91/806275191.db2.gz LRMJQBGGURSQRK-CNDDSTCGSA-N 1 1 290.798 3.034 20 30 CGEDMO N#Cc1c[nH]c2cc[nH+]c(NCc3noc4ccccc34)c12 ZINC001160585578 806286111 /nfs/dbraw/zinc/28/61/11/806286111.db2.gz XUDVWECCCGHTRJ-UHFFFAOYSA-N 1 1 289.298 3.188 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)[C@H](F)CC)CC1 ZINC001160903622 806317595 /nfs/dbraw/zinc/31/75/95/806317595.db2.gz KEUJPQVEIXPTPY-GOEBONIOSA-N 1 1 296.430 3.228 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1CNc1cc(C2CC2)ccn1 ZINC001160954557 806327549 /nfs/dbraw/zinc/32/75/49/806327549.db2.gz YIXOFAXLJLMCSC-HNNXBMFYSA-N 1 1 257.381 3.021 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1nc(C)ccc1Cl ZINC001160953253 806328671 /nfs/dbraw/zinc/32/86/71/806328671.db2.gz ZFRLTFPFNOGUFA-LBPRGKRZSA-N 1 1 265.788 3.106 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NCCC1=CC[N@@H+](CCC)CC1 ZINC001160968766 806330012 /nfs/dbraw/zinc/33/00/12/806330012.db2.gz XLFMEXRTGBQPAY-HNNXBMFYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NCCC1=CC[N@@H+](CC(=C)C)CC1 ZINC001160967428 806332109 /nfs/dbraw/zinc/33/21/09/806332109.db2.gz ISMXKWQBVHKUKD-INIZCTEOSA-N 1 1 290.451 3.303 20 30 CGEDMO CC1(C)CC[C@@H](Nc2[nH+]ccc3[nH]cc(C#N)c32)C1 ZINC001161033945 806340225 /nfs/dbraw/zinc/34/02/25/806340225.db2.gz ULFSOTXRXUXHDZ-LLVKDONJSA-N 1 1 254.337 3.425 20 30 CGEDMO C=C(Cl)C[N@H+]1CC=C(CCNC(=O)C2(CC)CC2)CC1 ZINC001161161169 806355417 /nfs/dbraw/zinc/35/54/17/806355417.db2.gz FYMUYFLBFPNLQM-UHFFFAOYSA-N 1 1 296.842 3.068 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)C2(CC)CC2)CC1 ZINC001161161169 806355426 /nfs/dbraw/zinc/35/54/26/806355426.db2.gz FYMUYFLBFPNLQM-UHFFFAOYSA-N 1 1 296.842 3.068 20 30 CGEDMO N#CCC[N@H+](Cc1cccnc1)C1CCC(F)(F)CC1 ZINC001254218326 806370058 /nfs/dbraw/zinc/37/00/58/806370058.db2.gz DTMIVXQEBIFKTH-UHFFFAOYSA-N 1 1 279.334 3.375 20 30 CGEDMO N#CCC[N@@H+](Cc1cccnc1)C1CCC(F)(F)CC1 ZINC001254218326 806370066 /nfs/dbraw/zinc/37/00/66/806370066.db2.gz DTMIVXQEBIFKTH-UHFFFAOYSA-N 1 1 279.334 3.375 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CCNC(=O)[C@H]2C[C@@]2(C)CC)CC1 ZINC001161611430 806399207 /nfs/dbraw/zinc/39/92/07/806399207.db2.gz SUMSNCXELCAERL-SJLPKXTDSA-N 1 1 290.451 3.137 20 30 CGEDMO CC[C@@H]([NH2+][C@H]1CCCN(C)CC1)c1cccc(C#N)c1 ZINC001254508437 806427197 /nfs/dbraw/zinc/42/71/97/806427197.db2.gz QWSJYKXKKVGUQS-DLBZAZTESA-N 1 1 271.408 3.083 20 30 CGEDMO CN1CCC[C@@H]([NH+]2CCC(c3ccc(C#N)cc3)CC2)CC1 ZINC001254527996 806442616 /nfs/dbraw/zinc/44/26/16/806442616.db2.gz APNSCMIQVWWCKR-LJQANCHMSA-N 1 1 297.446 3.222 20 30 CGEDMO CCCC[NH+](CCCC)CCN[C@@H]1CC[C@H](C#N)C1 ZINC001254636373 806467209 /nfs/dbraw/zinc/46/72/09/806467209.db2.gz KBRWUDKQMNGMFL-JKSUJKDBSA-N 1 1 265.445 3.170 20 30 CGEDMO CCCCCCCC[N@H+](CCN)[C@H]1CC[C@H](C#N)C1 ZINC001254647566 806471101 /nfs/dbraw/zinc/47/11/01/806471101.db2.gz UOQDGKBHXUEIPI-HOTGVXAUSA-N 1 1 265.445 3.300 20 30 CGEDMO CCCCCCCC[N@@H+](CCN)[C@H]1CC[C@H](C#N)C1 ZINC001254647566 806471106 /nfs/dbraw/zinc/47/11/06/806471106.db2.gz UOQDGKBHXUEIPI-HOTGVXAUSA-N 1 1 265.445 3.300 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2nccc3ccccc32)C1 ZINC001254646252 806471208 /nfs/dbraw/zinc/47/12/08/806471208.db2.gz XRZBHUYOXVLTHB-OAHLLOKOSA-N 1 1 268.360 3.012 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(NCc2ccnn2C)cc1 ZINC001161876868 806475964 /nfs/dbraw/zinc/47/59/64/806475964.db2.gz NIXUYSYOGOZINQ-GOSISDBHSA-N 1 1 296.418 3.355 20 30 CGEDMO Cc1ccccc1O[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC001254668725 806479331 /nfs/dbraw/zinc/47/93/31/806479331.db2.gz KNKFPCJDPISLAY-ARFHVFGLSA-N 1 1 270.376 3.140 20 30 CGEDMO N#C[C@H]1CC[C@@H]([N@@H+](Cc2ccccc2)C2CCOCC2)C1 ZINC001254669914 806479774 /nfs/dbraw/zinc/47/97/74/806479774.db2.gz WWHVAXMASYYRJV-FUHWJXTLSA-N 1 1 284.403 3.360 20 30 CGEDMO N#C[C@H]1CC[C@H]([N@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)C1 ZINC001254674406 806483525 /nfs/dbraw/zinc/48/35/25/806483525.db2.gz YNWKNCWRJGZRJF-XQLPTFJDSA-N 1 1 252.361 3.265 20 30 CGEDMO CC(C)(Cc1cccnc1)Nc1[nH+]ccc2[nH]cc(C#N)c21 ZINC001162241210 806538993 /nfs/dbraw/zinc/53/89/93/806538993.db2.gz HJKPBLXMDAJCNW-UHFFFAOYSA-N 1 1 291.358 3.263 20 30 CGEDMO CC(=O)C=C(C)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001255123186 806548717 /nfs/dbraw/zinc/54/87/17/806548717.db2.gz ZYEFKAHLKLQZGT-RJQHAEKZSA-N 1 1 298.430 3.264 20 30 CGEDMO CC[C@H](CC#N)[NH2+][C@H](CCO)c1cccc(Cl)c1 ZINC001255154089 806555000 /nfs/dbraw/zinc/55/50/00/806555000.db2.gz BHSJAHDSKVSYEC-ZIAGYGMSSA-N 1 1 266.772 3.045 20 30 CGEDMO CC[C@@H](CC#N)NC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC001255163131 806561375 /nfs/dbraw/zinc/56/13/75/806561375.db2.gz CFIUBCXYLWBALL-NEWSRXKRSA-N 1 1 299.462 3.426 20 30 CGEDMO CC[C@H](CC#N)[NH+]1CCC(Sc2ccncc2)CC1 ZINC001255172747 806566634 /nfs/dbraw/zinc/56/66/34/806566634.db2.gz FVSYIIROOOHHFV-CYBMUJFWSA-N 1 1 275.421 3.330 20 30 CGEDMO CC[C@@H](CC#N)[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC001255174628 806568317 /nfs/dbraw/zinc/56/83/17/806568317.db2.gz ZOHZQDMZZFCIFX-INIZCTEOSA-N 1 1 284.403 3.243 20 30 CGEDMO CC[C@@H](CC#N)N(CC)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001255174671 806568639 /nfs/dbraw/zinc/56/86/39/806568639.db2.gz HTLAUWQHEJWLPP-ROUUACIJSA-N 1 1 285.435 3.275 20 30 CGEDMO CC[C@@H](CC#N)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001255177286 806570780 /nfs/dbraw/zinc/57/07/80/806570780.db2.gz PNAHWMQRKRGCHE-NUJGCVRESA-N 1 1 285.435 3.273 20 30 CGEDMO C#CC[N@@H+]([C@@H]1CCSC1)[C@@H]1CCc2ccccc21 ZINC001255289041 806593713 /nfs/dbraw/zinc/59/37/13/806593713.db2.gz DQDUNCSGQIBYSM-GDBMZVCRSA-N 1 1 257.402 3.115 20 30 CGEDMO CCOC(=O)[C@@H]1CCC[C@H]([N@@H+](CCC#N)C2CCCC2)C1 ZINC001255368593 806627225 /nfs/dbraw/zinc/62/72/25/806627225.db2.gz UPMQWVKWZDCKKL-ZBFHGGJFSA-N 1 1 292.423 3.267 20 30 CGEDMO C#CCCCC[NH2+][C@H]1CCCN(Cc2ccccc2)CC1 ZINC001255389264 806633509 /nfs/dbraw/zinc/63/35/09/806633509.db2.gz DLYPEGGOEYDOII-IBGZPJMESA-N 1 1 284.447 3.434 20 30 CGEDMO CC(C)([NH2+]C#C[Si](C)(C)C)C(=O)c1ccccc1 ZINC001162635208 806634150 /nfs/dbraw/zinc/63/41/50/806634150.db2.gz QPQCOUODDPDJRV-UHFFFAOYSA-N 1 1 259.425 3.076 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(F)cc(C#N)c1 ZINC000163111661 799081686 /nfs/dbraw/zinc/08/16/86/799081686.db2.gz XPGAFZLUAMSZTJ-UHFFFAOYSA-N 1 1 279.318 3.201 20 30 CGEDMO C#CC[N@H+](Cc1cn2c(cccc2C)n1)C1CCCC1 ZINC000176387268 799094828 /nfs/dbraw/zinc/09/48/28/799094828.db2.gz RDRPTRKUMPGDRD-UHFFFAOYSA-N 1 1 267.376 3.021 20 30 CGEDMO C=C[C@@H](COC)[NH2+][C@H](C)c1ccccc1Br ZINC000309597014 799218846 /nfs/dbraw/zinc/21/88/46/799218846.db2.gz WLBWMRJUCVVUAB-MNOVXSKESA-N 1 1 284.197 3.301 20 30 CGEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1cnn(C(F)F)c1 ZINC000329446648 799254185 /nfs/dbraw/zinc/25/41/85/799254185.db2.gz NXOVZZNOZHAYJA-LLVKDONJSA-N 1 1 286.326 3.131 20 30 CGEDMO C[C@@H](CSc1ccc(F)cc1)[N@@H+]1CC[C@@H](C#N)C1 ZINC001255745768 806732401 /nfs/dbraw/zinc/73/24/01/806732401.db2.gz ZMCHTAFMPUPYLB-RYUDHWBXSA-N 1 1 264.369 3.152 20 30 CGEDMO C[C@@H](CSc1ccc(F)cc1)[N@H+]1CC[C@@H](C#N)C1 ZINC001255745768 806732406 /nfs/dbraw/zinc/73/24/06/806732406.db2.gz ZMCHTAFMPUPYLB-RYUDHWBXSA-N 1 1 264.369 3.152 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nccn2C)C1 ZINC000373108216 799342276 /nfs/dbraw/zinc/34/22/76/799342276.db2.gz AMTXLLKSIWWHAR-PBHICJAKSA-N 1 1 294.402 3.232 20 30 CGEDMO C#CC[N@H+](C)CCCN[C@@H](C)c1ccc(F)cc1Cl ZINC000380929509 799369797 /nfs/dbraw/zinc/36/97/97/799369797.db2.gz NUFXVRPJUGMZPM-LBPRGKRZSA-N 1 1 282.790 3.085 20 30 CGEDMO C#CCN(C)CCC[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000380929509 799369802 /nfs/dbraw/zinc/36/98/02/799369802.db2.gz NUFXVRPJUGMZPM-LBPRGKRZSA-N 1 1 282.790 3.085 20 30 CGEDMO CSCCO[NH+]=C(C)c1ccc(Cl)c(N)c1 ZINC000382300985 799395167 /nfs/dbraw/zinc/39/51/67/799395167.db2.gz NMUHGIGPZOJXDO-UHFFFAOYSA-N 1 1 258.774 3.026 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000384193123 799412834 /nfs/dbraw/zinc/41/28/34/799412834.db2.gz IBQVVDDFBSNYET-HNNXBMFYSA-N 1 1 271.389 3.097 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](Nc2cc(Cl)ncc2C#N)[C@H](C)C1 ZINC001163365141 806749705 /nfs/dbraw/zinc/74/97/05/806749705.db2.gz XNMYEVCXYGLBGQ-YPMHNXCESA-N 1 1 292.814 3.137 20 30 CGEDMO C=C(C)CNc1ccc(C[N@@H+]2CCCC[C@@H]2C)cn1 ZINC001163376166 806753719 /nfs/dbraw/zinc/75/37/19/806753719.db2.gz VFUXYAYJSWTAEK-AWEZNQCLSA-N 1 1 259.397 3.444 20 30 CGEDMO C=CC[C@H]([NH2+]C[C@@H]1C(C)=CCC[C@H]1C)C(=O)OCC ZINC001255854490 806770808 /nfs/dbraw/zinc/77/08/08/806770808.db2.gz SKOOVAPFDKURKK-KFWWJZLASA-N 1 1 265.397 3.076 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000686845880 799736210 /nfs/dbraw/zinc/73/62/10/799736210.db2.gz XLXYNFCRANLPCW-GFCCVEGCSA-N 1 1 292.345 3.360 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCC(C)(C)CC(C)(C)C1 ZINC000688331384 799747274 /nfs/dbraw/zinc/74/72/74/799747274.db2.gz ADFSSLABXHHEDX-ZDUSSCGKSA-N 1 1 252.402 3.063 20 30 CGEDMO C[C@H](Cc1ccc(F)cc1)[N@H+]1CCC[C@@H](C#N)CC1 ZINC001255875651 806778420 /nfs/dbraw/zinc/77/84/20/806778420.db2.gz MSYNPBLVIZXHPN-UKRRQHHQSA-N 1 1 260.356 3.382 20 30 CGEDMO C=CCCSCC[NH2+][C@H](C)c1ccc(F)cc1O ZINC000696138785 799837133 /nfs/dbraw/zinc/83/71/33/799837133.db2.gz IKXGZBIPLVULSJ-LLVKDONJSA-N 1 1 269.385 3.491 20 30 CGEDMO C=CCc1cc(C)c[nH+]c1N[C@H]1CCc2[nH]c(=O)ccc2C1 ZINC001163554534 806783437 /nfs/dbraw/zinc/78/34/37/806783437.db2.gz LFLAYGPRCHQIPZ-HNNXBMFYSA-N 1 1 295.386 3.189 20 30 CGEDMO C#C[C@H]([NH2+]Cc1cccc(O)c1Br)C(C)(C)C ZINC000705337517 799948676 /nfs/dbraw/zinc/94/86/76/799948676.db2.gz SYIMFWXGKKLHQT-LBPRGKRZSA-N 1 1 296.208 3.292 20 30 CGEDMO CS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2F)C1 ZINC000708302700 799985914 /nfs/dbraw/zinc/98/59/14/799985914.db2.gz OSJYMCOADMPQPH-ZIAGYGMSSA-N 1 1 278.396 3.413 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3nccs3)C2)cc1F ZINC000710356168 800033993 /nfs/dbraw/zinc/03/39/93/800033993.db2.gz TUICAXDXMNAUGS-CYBMUJFWSA-N 1 1 287.363 3.143 20 30 CGEDMO CC1(C)C[C@H](C[N@H+](CC#N)C2CCCC2)C(C)(C)O1 ZINC000711278678 800050888 /nfs/dbraw/zinc/05/08/88/800050888.db2.gz JJRWSORAJVTQLB-CYBMUJFWSA-N 1 1 264.413 3.348 20 30 CGEDMO CC1(C)C[C@H](C[N@@H+](CC#N)C2CCCC2)C(C)(C)O1 ZINC000711278678 800050898 /nfs/dbraw/zinc/05/08/98/800050898.db2.gz JJRWSORAJVTQLB-CYBMUJFWSA-N 1 1 264.413 3.348 20 30 CGEDMO C[N@@H+](CCCC(C)(F)F)Cc1cccc(C#N)c1 ZINC000718619844 800218782 /nfs/dbraw/zinc/21/87/82/800218782.db2.gz GOAWDVBHEVTSNQ-UHFFFAOYSA-N 1 1 252.308 3.425 20 30 CGEDMO CC(=O)C=C(C)Nc1ccc([C@@H]2CCCC[N@@H+]2C)cn1 ZINC001163738271 806812764 /nfs/dbraw/zinc/81/27/64/806812764.db2.gz VRHBNIDYPGDFNF-WQTVUKCASA-N 1 1 273.380 3.143 20 30 CGEDMO CC(=O)CC(C)=Nc1ccc([C@@H]2CCCC[N@H+]2C)cn1 ZINC001163738271 806812786 /nfs/dbraw/zinc/81/27/86/806812786.db2.gz VRHBNIDYPGDFNF-WQTVUKCASA-N 1 1 273.380 3.143 20 30 CGEDMO CC(=O)CC(C)=Nc1ccc([C@@H]2CCCC[N@@H+]2C)cn1 ZINC001163738271 806812795 /nfs/dbraw/zinc/81/27/95/806812795.db2.gz VRHBNIDYPGDFNF-WQTVUKCASA-N 1 1 273.380 3.143 20 30 CGEDMO Cc1ccc(C[NH2+]CCC#N)c(C)c1Br ZINC000719579591 800244569 /nfs/dbraw/zinc/24/45/69/800244569.db2.gz YNJPYRNQJRHUCY-UHFFFAOYSA-N 1 1 267.170 3.069 20 30 CGEDMO CC(C)C[N@@H+](Cc1cncc(C#N)c1)C1CCCC1 ZINC000721558384 800294274 /nfs/dbraw/zinc/29/42/74/800294274.db2.gz KQUOHOXVOBTPHP-UHFFFAOYSA-N 1 1 257.381 3.354 20 30 CGEDMO C[N@H+](Cc1cccc(Cl)c1)Cc1cncc(C#N)c1 ZINC000721559720 800294845 /nfs/dbraw/zinc/29/48/45/800294845.db2.gz OEJYHXALWOXJTH-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO C[N@@H+](Cc1cccc(Cl)c1)Cc1cncc(C#N)c1 ZINC000721559720 800294851 /nfs/dbraw/zinc/29/48/51/800294851.db2.gz OEJYHXALWOXJTH-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)C2Cc3ccccc3C2)cc1 ZINC000809551633 800445198 /nfs/dbraw/zinc/44/51/98/800445198.db2.gz BZLNCOBPKIVYNM-UHFFFAOYSA-N 1 1 261.368 3.267 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CC[C@H](c3ccco3)C2)cc1 ZINC000809575080 800446630 /nfs/dbraw/zinc/44/66/30/800446630.db2.gz YUPZFNRCCHERDT-INIZCTEOSA-N 1 1 251.329 3.250 20 30 CGEDMO C=CC[C@H]1CCN1Cc1cncc(C[N@@H+]2CC[C@@H]2CC=C)c1 ZINC000934459274 800678902 /nfs/dbraw/zinc/67/89/02/800678902.db2.gz HPCCJCLRHLGPPJ-OALUTQOASA-N 1 1 297.446 3.382 20 30 CGEDMO C=CC[C@H]1CCN1Cc1cncc(C[N@H+]2CC[C@@H]2CC=C)c1 ZINC000934459274 800678907 /nfs/dbraw/zinc/67/89/07/800678907.db2.gz HPCCJCLRHLGPPJ-OALUTQOASA-N 1 1 297.446 3.382 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C(C)C)cc2)[C@@H]1C ZINC000994297636 800695764 /nfs/dbraw/zinc/69/57/64/800695764.db2.gz LWHAAWLVUFWHGH-MAUKXSAKSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)C2=CCCCCC2)CC1 ZINC001002674527 800697209 /nfs/dbraw/zinc/69/72/09/800697209.db2.gz KJMHTONWTLRQIH-UHFFFAOYSA-N 1 1 296.842 3.210 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)c2ccc(C)cc2C)CC1 ZINC001001420676 800697304 /nfs/dbraw/zinc/69/73/04/800697304.db2.gz SIJOWXKTKMFICD-UHFFFAOYSA-N 1 1 298.430 3.241 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)C2CC(C)(C)C2)C1 ZINC001023349924 800709884 /nfs/dbraw/zinc/70/98/84/800709884.db2.gz AWWPVPZBKQWIGA-HNNXBMFYSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC2(C)C)C1 ZINC001023547448 800712372 /nfs/dbraw/zinc/71/23/72/800712372.db2.gz MEMHAFJZBYVTBW-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccoc1C ZINC001024326694 800724786 /nfs/dbraw/zinc/72/47/86/800724786.db2.gz NEHPLPADZMWROE-OAHLLOKOSA-N 1 1 290.407 3.139 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C)c1 ZINC001024312523 800724816 /nfs/dbraw/zinc/72/48/16/800724816.db2.gz JXRPBXYNBKVFLQ-QGZVFWFLSA-N 1 1 286.419 3.155 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001024455210 800728574 /nfs/dbraw/zinc/72/85/74/800728574.db2.gz KVRIFOYBHNPDFG-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1sc(C)cc1C ZINC001024458804 800728896 /nfs/dbraw/zinc/72/88/96/800728896.db2.gz KCCBWFSGPLCZDC-CQSZACIVSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1c(C)cccc1C ZINC001024670385 800732956 /nfs/dbraw/zinc/73/29/56/800732956.db2.gz OXWPUFNLZNVWMS-INIZCTEOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001024635973 800733724 /nfs/dbraw/zinc/73/37/24/800733724.db2.gz MEYCOZMOCBDDGK-JZXOWHBKSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)C1CCC(F)CC1 ZINC001024638037 800733818 /nfs/dbraw/zinc/73/38/18/800733818.db2.gz RHFMGKCSAVYHBZ-GPANFISMSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001024771778 800735795 /nfs/dbraw/zinc/73/57/95/800735795.db2.gz LZVKEJKLEXUDLC-ULQDDVLXSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C2CC2)cc1 ZINC001024808849 800736702 /nfs/dbraw/zinc/73/67/02/800736702.db2.gz LNJUJQFUZKRICU-SFHVURJKSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1CCC1 ZINC001025190360 800746674 /nfs/dbraw/zinc/74/66/74/800746674.db2.gz WKYYDCLXJIUAJN-IAGOWNOFSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C(F)=C(C)C ZINC001025214793 800749788 /nfs/dbraw/zinc/74/97/88/800749788.db2.gz FJPVZGPTIKMBNH-GJZGRUSLSA-N 1 1 294.414 3.281 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C1(C)CC1 ZINC001025236386 800751735 /nfs/dbraw/zinc/75/17/35/800751735.db2.gz UDSBJRWDHPYLSL-HZPDHXFCSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)(C)C=C ZINC001025254624 800752125 /nfs/dbraw/zinc/75/21/25/800752125.db2.gz MCFZKFATJUYFSI-HZPDHXFCSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CCCC2)C1 ZINC001025321469 800754309 /nfs/dbraw/zinc/75/43/09/800754309.db2.gz XGCMLLGLLXZOLU-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CCCCC2)C1 ZINC001025320377 800754826 /nfs/dbraw/zinc/75/48/26/800754826.db2.gz LMKFRBRVVCNTEX-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2cccc(C)c2)C1 ZINC001025330120 800756520 /nfs/dbraw/zinc/75/65/20/800756520.db2.gz VHNLJSZYPVORTR-RDJZCZTQSA-N 1 1 286.419 3.011 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2CC(C)(C)C2)C1 ZINC001025412179 800761179 /nfs/dbraw/zinc/76/11/79/800761179.db2.gz PTDGFPGDOORMPR-HUUCEWRRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(C)cc2)C1 ZINC001025603898 800763412 /nfs/dbraw/zinc/76/34/12/800763412.db2.gz YXPBTPJUSXASQN-NVXWUHKLSA-N 1 1 286.419 3.011 20 30 CGEDMO CCC[N@H+]1CCCC[C@H]1c1ccc(N2CC(C)(C#N)C2)nc1 ZINC001163954779 806859622 /nfs/dbraw/zinc/85/96/22/806859622.db2.gz YXCMRKFTEIIIAL-INIZCTEOSA-N 1 1 298.434 3.368 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2cscc2C)C1 ZINC001027354780 800791992 /nfs/dbraw/zinc/79/19/92/800791992.db2.gz JWSZNLSKWYWRPK-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CC=CCC2)C1 ZINC001027527195 800799473 /nfs/dbraw/zinc/79/94/73/800799473.db2.gz AKKFOAOUNLRNFZ-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)CC2CCCCCC2)C1 ZINC001027596926 800805605 /nfs/dbraw/zinc/80/56/05/800805605.db2.gz FBRTUYUCTQCPMF-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001027698107 800812958 /nfs/dbraw/zinc/81/29/58/800812958.db2.gz CRLSOSOKRWUYLB-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC001027811640 800820105 /nfs/dbraw/zinc/82/01/05/800820105.db2.gz KUMATEHEUJYTEG-CQSZACIVSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001027902989 800825145 /nfs/dbraw/zinc/82/51/45/800825145.db2.gz AQEDQPPBXDFBIC-SJORKVTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C(C)C)cc1 ZINC001028280185 800838097 /nfs/dbraw/zinc/83/80/97/800838097.db2.gz HYQWEMLAPOSPGY-QGZVFWFLSA-N 1 1 286.419 3.190 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(CC)cc1 ZINC001028296197 800839400 /nfs/dbraw/zinc/83/94/00/800839400.db2.gz PXVSERHPOQIVNJ-QGZVFWFLSA-N 1 1 286.419 3.019 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)c1cccc(C)c1C ZINC001028295100 800841282 /nfs/dbraw/zinc/84/12/82/800841282.db2.gz DECQYHPXIFFQLR-INIZCTEOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C(C)C)s1 ZINC001028339728 800841455 /nfs/dbraw/zinc/84/14/55/800841455.db2.gz BFOKNZXOXODBTP-CYBMUJFWSA-N 1 1 292.448 3.252 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCCC1(C)C ZINC001028336656 800842501 /nfs/dbraw/zinc/84/25/01/800842501.db2.gz AQMNHBYGIGYTIJ-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001028546590 800850523 /nfs/dbraw/zinc/85/05/23/800850523.db2.gz ABTJYLDAQVBJPZ-OWCLPIDISA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)C2CCC=CCC2)C1 ZINC001028990274 800856570 /nfs/dbraw/zinc/85/65/70/800856570.db2.gz FVSDNVXYKKBZBI-MRXNPFEDSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](CNC(=O)C2CCC(C)(C)CC2)C1 ZINC001029012735 800857395 /nfs/dbraw/zinc/85/73/95/800857395.db2.gz URGRTKLKFUYVCQ-HNNXBMFYSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)c2ccc(CCC)s2)C1 ZINC001030378160 800891840 /nfs/dbraw/zinc/89/18/40/800891840.db2.gz INRJMFZTBKOUED-UHFFFAOYSA-N 1 1 292.448 3.081 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001031300525 800909640 /nfs/dbraw/zinc/90/96/40/800909640.db2.gz LHILBMDAQHPIKS-UHFFFAOYSA-N 1 1 286.419 3.190 20 30 CGEDMO C=CCN1CC[C@@]2(CCC[N@H+]([C@@H](C)CCC(C)C)C2)C1=O ZINC001256364270 806870104 /nfs/dbraw/zinc/87/01/04/806870104.db2.gz RJMVRZFGILJTBY-FUHWJXTLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCCCCCC1 ZINC001032513126 800929593 /nfs/dbraw/zinc/92/95/93/800929593.db2.gz SRLUCAYMIIRRIB-IRXDYDNUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)C2(C)CCCCC2)C1 ZINC001033383062 800962288 /nfs/dbraw/zinc/96/22/88/800962288.db2.gz GHWOIWSKSKGNHS-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C(C)C)oc2C)C1 ZINC001033542993 800968625 /nfs/dbraw/zinc/96/86/25/800968625.db2.gz AZWMOKVHZXTLTK-CQSZACIVSA-N 1 1 290.407 3.044 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C)cc(C)c2)C1 ZINC001033618283 800970862 /nfs/dbraw/zinc/97/08/62/800970862.db2.gz VJYUCUDHXNICHP-QGZVFWFLSA-N 1 1 286.419 3.026 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2oc(C)cc2C)C1 ZINC001033785622 800982608 /nfs/dbraw/zinc/98/26/08/800982608.db2.gz LSYFOUKJSMQKIJ-HNNXBMFYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(Cl)cs2)C1 ZINC001033979958 800993458 /nfs/dbraw/zinc/99/34/58/800993458.db2.gz JMLZATKQJKNARC-GFCCVEGCSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(Cl)cs2)C1 ZINC001033979958 800993463 /nfs/dbraw/zinc/99/34/63/800993463.db2.gz JMLZATKQJKNARC-GFCCVEGCSA-N 1 1 298.839 3.124 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C3CC3)cc2)C1 ZINC001034046953 800995276 /nfs/dbraw/zinc/99/52/76/800995276.db2.gz WMODFAOCBNAVRS-GOSISDBHSA-N 1 1 298.430 3.286 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)C2CCCCC2)C1 ZINC001034079826 801001142 /nfs/dbraw/zinc/00/11/42/801001142.db2.gz AYSYFDRGECBOPR-HNNXBMFYSA-N 1 1 298.858 3.290 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)C2CCCCC2)C1 ZINC001034079826 801001147 /nfs/dbraw/zinc/00/11/47/801001147.db2.gz AYSYFDRGECBOPR-HNNXBMFYSA-N 1 1 298.858 3.290 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccccc2)C1 ZINC001034081895 801002693 /nfs/dbraw/zinc/00/26/93/801002693.db2.gz YVHWYKCHWLEMAV-OAHLLOKOSA-N 1 1 292.810 3.023 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2ccccc2)C1 ZINC001034081895 801002698 /nfs/dbraw/zinc/00/26/98/801002698.db2.gz YVHWYKCHWLEMAV-OAHLLOKOSA-N 1 1 292.810 3.023 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2cscc2C)C1 ZINC001034163366 801008747 /nfs/dbraw/zinc/00/87/47/801008747.db2.gz LDBNWEUMIMQPOH-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H](C)C2CCC2)C1 ZINC001034266317 801014646 /nfs/dbraw/zinc/01/46/46/801014646.db2.gz NXURBENQTZZMGF-DZGCQCFKSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H](C)C2CCC2)C1 ZINC001034266317 801014653 /nfs/dbraw/zinc/01/46/53/801014653.db2.gz NXURBENQTZZMGF-DZGCQCFKSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC001034350554 801020386 /nfs/dbraw/zinc/02/03/86/801020386.db2.gz IOWKHNINFZKWSX-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)C2(C)CC=CC2)C1 ZINC001034376570 801020759 /nfs/dbraw/zinc/02/07/59/801020759.db2.gz OSUYBOVUMKFJCI-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@H](C)c2ccsc2)C1 ZINC001034395782 801025565 /nfs/dbraw/zinc/02/55/65/801025565.db2.gz ZEDNPNZKYFPBIJ-HIFRSBDPSA-N 1 1 292.448 3.008 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC23CCC3)C1 ZINC001034420942 801027001 /nfs/dbraw/zinc/02/70/01/801027001.db2.gz CPIPUSSVTXJSPG-HZPDHXFCSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001034498906 801030293 /nfs/dbraw/zinc/03/02/93/801030293.db2.gz PPBZUVLXXZMOFT-BRWVUGGUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)C3CCCC3)CC[C@H]21 ZINC001036622907 801083821 /nfs/dbraw/zinc/08/38/21/801083821.db2.gz SABBSIYJUHZZCG-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CN(C(=O)CC3CCCCC3)CC[C@H]21 ZINC001036636967 801084772 /nfs/dbraw/zinc/08/47/72/801084772.db2.gz HOTVDEXKUYZKCC-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C(CC)CC)CC[C@H]21 ZINC001036651960 801086908 /nfs/dbraw/zinc/08/69/08/801086908.db2.gz LSLQVNZWHADLQU-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CC(C)(C)C)CC[C@@H]21 ZINC001036642095 801087345 /nfs/dbraw/zinc/08/73/45/801087345.db2.gz LFIXTRAEAMJGOG-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CC=C(C)C)C1 ZINC001036788780 801089233 /nfs/dbraw/zinc/08/92/33/801089233.db2.gz HFUKDLMJKCDDHJ-HOTGVXAUSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)C3(CC)CC3)CC[C@H]21 ZINC001036814934 801091950 /nfs/dbraw/zinc/09/19/50/801091950.db2.gz WNYPYCLBXYDTNA-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1c(C)oc2ccccc21 ZINC001038284362 801122215 /nfs/dbraw/zinc/12/22/15/801122215.db2.gz OJXZODFJWSDCJA-AWEZNQCLSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)C1CCCCCCC1 ZINC001038494337 801125942 /nfs/dbraw/zinc/12/59/42/801125942.db2.gz VDKFHVKXSCXLBD-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1cc2cc(C)ccc2o1 ZINC001039044277 801142551 /nfs/dbraw/zinc/14/25/51/801142551.db2.gz WINFVJAYEQVLTI-HNNXBMFYSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1cc2cc(C)ccc2o1 ZINC001039044277 801142553 /nfs/dbraw/zinc/14/25/53/801142553.db2.gz WINFVJAYEQVLTI-HNNXBMFYSA-N 1 1 298.386 3.121 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc([C@H](C)CC)cc1 ZINC001039057097 801144008 /nfs/dbraw/zinc/14/40/08/801144008.db2.gz QFTXDGBQTYROKH-CRAIPNDOSA-N 1 1 298.430 3.028 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C2CCN(C(=O)/C(C)=C/C)CC2)C1 ZINC001039120491 801149862 /nfs/dbraw/zinc/14/98/62/801149862.db2.gz AYISBTLKDCINRX-ZNZANGIRSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)/C(C)=C\C)C1 ZINC001039203250 801152914 /nfs/dbraw/zinc/15/29/14/801152914.db2.gz OZAWZRJOEPWKPC-XIENNYHASA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C(F)=C(C)C)C1 ZINC001039198681 801153288 /nfs/dbraw/zinc/15/32/88/801153288.db2.gz ZCWULNGXRNOFGF-HUUCEWRRSA-N 1 1 294.414 3.139 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccs1 ZINC001039327863 801158297 /nfs/dbraw/zinc/15/82/97/801158297.db2.gz LGRMQAFNTHDNJH-KGLIPLIRSA-N 1 1 290.432 3.003 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(=C)C ZINC001039416389 801161342 /nfs/dbraw/zinc/16/13/42/801161342.db2.gz XWLHSDXZEHUIOC-CVEARBPZSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CC(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC1CCC1 ZINC001039821192 801166603 /nfs/dbraw/zinc/16/66/03/801166603.db2.gz ODKPQVOAUFRDHZ-IYBDPMFKSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](C)C(C)(C)C)C2)C1 ZINC001040263730 801174860 /nfs/dbraw/zinc/17/48/60/801174860.db2.gz HRTGQEYVKJDJLR-CRAIPNDOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@]2(CCN(C(=O)CC3(C)CC3)C2)C1 ZINC001040298402 801175500 /nfs/dbraw/zinc/17/55/00/801175500.db2.gz WHMZCJZQZGOHTN-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@]2(CCN(C(=O)C3(C)CC3)C2)C1 ZINC001040222083 801175824 /nfs/dbraw/zinc/17/58/24/801175824.db2.gz ANLRLEDJQIWXLP-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)c3cccc(C)c3)C2)C1 ZINC001041026635 801185032 /nfs/dbraw/zinc/18/50/32/801185032.db2.gz DACIADWWPIBDGE-LJQANCHMSA-N 1 1 298.430 3.109 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)c3cccc(C)c3)C2)C1 ZINC001041026634 801185110 /nfs/dbraw/zinc/18/51/10/801185110.db2.gz DACIADWWPIBDGE-IBGZPJMESA-N 1 1 298.430 3.109 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)C3(C)CCCC3)C2)C1 ZINC001041519643 801189132 /nfs/dbraw/zinc/18/91/32/801189132.db2.gz JUKFYCUCJYKGPV-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)C3(CC)CC3)C2)C1 ZINC001041642343 801192364 /nfs/dbraw/zinc/19/23/64/801192364.db2.gz MPIMXUZDEVZUSO-QGZVFWFLSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccccc3C)C[C@@H]21 ZINC001041914228 801197310 /nfs/dbraw/zinc/19/73/10/801197310.db2.gz BKKHCHFMYKBKPP-AEFFLSMTSA-N 1 1 298.430 3.108 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CCN(C(=O)CC3CCCCC3)C[C@@H]21 ZINC001041926315 801197512 /nfs/dbraw/zinc/19/75/12/801197512.db2.gz RHQMFPTYDRYWIB-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CCN(C(=O)CC3CCCCC3)C[C@H]21 ZINC001041926311 801197571 /nfs/dbraw/zinc/19/75/71/801197571.db2.gz RHQMFPTYDRYWIB-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)CC3CCC3)C[C@@H]21 ZINC001041996315 801198163 /nfs/dbraw/zinc/19/81/63/801198163.db2.gz IIIRIHVOFKHSKX-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)CC3(C)CCCC3)C[C@@H]21 ZINC001042044626 801199667 /nfs/dbraw/zinc/19/96/67/801199667.db2.gz RFPXEQGCIPLONE-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](CCC(C)C)[C@@H]2C1 ZINC001042183137 801201476 /nfs/dbraw/zinc/20/14/76/801201476.db2.gz OFGGJVBAFQVAHS-JKSUJKDBSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)CC3(C)CC3)C[C@H]21 ZINC001042160041 801201881 /nfs/dbraw/zinc/20/18/81/801201881.db2.gz KGWAYAIOXDARQR-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@@H]2CC[N@H+](CCC(=C)C)[C@H]2C1 ZINC001042181037 801202020 /nfs/dbraw/zinc/20/20/20/801202020.db2.gz CFQOCLXTGBIYGJ-HOTGVXAUSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]2CC[N@H+](CC=C(C)C)[C@H]2C1 ZINC001042184816 801202421 /nfs/dbraw/zinc/20/24/21/801202421.db2.gz ZPZSJDODXQRVBA-CVEARBPZSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C1CCC(C(=O)N2CC[C@@H]3CC[N@H+](CCC)[C@@H]3C2)CC1 ZINC001042217228 801203949 /nfs/dbraw/zinc/20/39/49/801203949.db2.gz WDPQZRJZQYYRJZ-DOTOQJQBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[NH+]1CC(N(C)C(=O)c2cc3cc(C)ccc3o2)C1 ZINC001044336184 801235431 /nfs/dbraw/zinc/23/54/31/801235431.db2.gz JCHOWAFLYFMWAS-UHFFFAOYSA-N 1 1 298.386 3.074 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001045840710 801288612 /nfs/dbraw/zinc/28/86/12/801288612.db2.gz MDTHPPQYALQYTA-RYRKJORJSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)/C(C)=C/C)C2 ZINC001045930650 801295419 /nfs/dbraw/zinc/29/54/19/801295419.db2.gz PHRHIQSWAHFYQY-BDSVNUEJSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001046337672 801309738 /nfs/dbraw/zinc/30/97/38/801309738.db2.gz ATORBNSXZKSYAH-AEFFLSMTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2csc(C)c2C)C1 ZINC001046345124 801310682 /nfs/dbraw/zinc/31/06/82/801310682.db2.gz SDRUPCNMWYDXKD-INIZCTEOSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccccc2CC)C1 ZINC001046580098 801314930 /nfs/dbraw/zinc/31/49/30/801314930.db2.gz QPEPGARTOAUHBO-GOSISDBHSA-N 1 1 286.419 3.019 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(CCC)cc2)C1 ZINC001046583469 801316530 /nfs/dbraw/zinc/31/65/30/801316530.db2.gz QRZFJKLROHLUEK-SFHVURJKSA-N 1 1 286.419 3.019 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)c2cc(C)cc(C)c2)C1 ZINC001046797342 801324936 /nfs/dbraw/zinc/32/49/36/801324936.db2.gz YQLVTHUPLRFVMF-SFHVURJKSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCC1CCCC1 ZINC001049310298 801364045 /nfs/dbraw/zinc/36/40/45/801364045.db2.gz DKGLREAGWSVLQQ-IAGOWNOFSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(CC)CC ZINC001049345327 801367062 /nfs/dbraw/zinc/36/70/62/801367062.db2.gz UFEQABKYCICKBA-HZPDHXFCSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)CC ZINC001049340716 801367413 /nfs/dbraw/zinc/36/74/13/801367413.db2.gz SPFGSZOGOPCPRB-BZUAXINKSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(CC)CC ZINC001049343604 801367842 /nfs/dbraw/zinc/36/78/42/801367842.db2.gz LGSMGWIPLWCHGB-IAGOWNOFSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC1=CCCCC1 ZINC001049383679 801370115 /nfs/dbraw/zinc/37/01/15/801370115.db2.gz STEWDSKHCRSIBE-IAGOWNOFSA-N 1 1 288.435 3.128 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)C(=C)C ZINC001049635780 801380212 /nfs/dbraw/zinc/38/02/12/801380212.db2.gz WFKKJWUASKCYQO-CVEARBPZSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CC1 ZINC001049694837 801383393 /nfs/dbraw/zinc/38/33/93/801383393.db2.gz RUEGAHLUGLMDGG-SOLBZPMBSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(C)CCCCC1 ZINC001049696022 801383631 /nfs/dbraw/zinc/38/36/31/801383631.db2.gz WZOJFRXOPVXURQ-JKSUJKDBSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C(C)(C)CC ZINC001049693370 801384869 /nfs/dbraw/zinc/38/48/69/801384869.db2.gz YKZYRXONTJXVBJ-CABCVRRESA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)c1c(C)cccc1C ZINC001049743680 801386821 /nfs/dbraw/zinc/38/68/21/801386821.db2.gz RTQYXMPFLHMTLQ-SJORKVTESA-N 1 1 298.430 3.168 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)CC(C)(C)C)[C@@H]2C1 ZINC001049973438 801395897 /nfs/dbraw/zinc/39/58/97/801395897.db2.gz FILNLKCVYZGTNS-UONOGXRCSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)CC(C)(C)C)[C@@H]2C1 ZINC001049973438 801395901 /nfs/dbraw/zinc/39/59/01/801395901.db2.gz FILNLKCVYZGTNS-UONOGXRCSA-N 1 1 298.858 3.098 20 30 CGEDMO CC(=O)C=C(C)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC001256521597 806909351 /nfs/dbraw/zinc/90/93/51/806909351.db2.gz APNZKVROCTUVKT-LBONJMQPSA-N 1 1 286.419 3.122 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@]2(C)CC=CCC2)CC1 ZINC001052412405 801435040 /nfs/dbraw/zinc/43/50/40/801435040.db2.gz VHPWCELZZINQKT-SJLPKXTDSA-N 1 1 290.451 3.280 20 30 CGEDMO C[C@@H]1C[C@H](NC2(C#N)CCC2)CC[N@H+]1Cc1ccccc1 ZINC001256521085 806910089 /nfs/dbraw/zinc/91/00/89/806910089.db2.gz ZHAQHLDKRWLVAZ-NVXWUHKLSA-N 1 1 283.419 3.075 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C)cc2C)CC1 ZINC001052909867 801455095 /nfs/dbraw/zinc/45/50/95/801455095.db2.gz IRDGRVQJNYQAAF-INIZCTEOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CC)C2)C1 ZINC001052994428 801460087 /nfs/dbraw/zinc/46/00/87/801460087.db2.gz NCXHSCNATLQLIR-LSDHHAIUSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@@]2(CC[N@H+](C(C)C)C2)C1 ZINC001054175203 801477202 /nfs/dbraw/zinc/47/72/02/801477202.db2.gz JIFWTCFUGDJJQD-SFHVURJKSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)C)C2 ZINC001054231165 801479786 /nfs/dbraw/zinc/47/97/86/801479786.db2.gz MNTLFJXXRLAKDX-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2c(C)coc2C)CC[C@H]1C ZINC001071475973 801538416 /nfs/dbraw/zinc/53/84/16/801538416.db2.gz CKNOAPBFICHMJS-UKRRQHHQSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C2CCC2)CC[C@@H]1C ZINC001071708317 801544974 /nfs/dbraw/zinc/54/49/74/801544974.db2.gz DDXPYPXHIZFXPI-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2(C)CCC2)CC[C@@H]1C ZINC001071741600 801548378 /nfs/dbraw/zinc/54/83/78/801548378.db2.gz HRHKBLCYBOBYLD-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2cc(C)co2)CC[C@@H]1C ZINC001071749671 801548737 /nfs/dbraw/zinc/54/87/37/801548737.db2.gz XDJREMNSRLPOCT-LSDHHAIUSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)C2CCC(=C)CC2)CC[C@@H]1C ZINC001071794799 801552698 /nfs/dbraw/zinc/55/26/98/801552698.db2.gz FQUAPNDKZLFPOC-DOTOQJQBSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC2(C1)CC[N@@H+](CCC(=C)C)C2 ZINC001072944387 801575328 /nfs/dbraw/zinc/57/53/28/801575328.db2.gz BAOYIQZMBHFKKL-KRWDZBQOSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)C(CC)(CC)CC)C2)C1 ZINC001073084086 801576664 /nfs/dbraw/zinc/57/66/64/801576664.db2.gz SJMSOMGFNORGRA-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2CCCCC2)C1 ZINC001079393032 801642451 /nfs/dbraw/zinc/64/24/51/801642451.db2.gz ODAGIUVRXLNODV-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C)CCCCC2)C1 ZINC001080380772 801652646 /nfs/dbraw/zinc/65/26/46/801652646.db2.gz IRCZAGFFCKAYTQ-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)CC3CCCC3)[C@@H]2C1 ZINC001084163387 801665462 /nfs/dbraw/zinc/66/54/62/801665462.db2.gz VQGISVJMTLGTHM-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3cccc(C)c3C)[C@@H]2C1 ZINC001084807204 801673159 /nfs/dbraw/zinc/67/31/59/801673159.db2.gz CZNNZYKIOMBABK-SJLPKXTDSA-N 1 1 298.430 3.026 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CCCCCC1 ZINC001085509515 801692000 /nfs/dbraw/zinc/69/20/00/801692000.db2.gz ZKCAYUFDLAXXQO-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)oc2ccccc21 ZINC001085614461 801699146 /nfs/dbraw/zinc/69/91/46/801699146.db2.gz ORUKOIQRUFWHCQ-CQSZACIVSA-N 1 1 298.386 3.074 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1c(C)oc2ccccc21 ZINC001085614461 801699148 /nfs/dbraw/zinc/69/91/48/801699148.db2.gz ORUKOIQRUFWHCQ-CQSZACIVSA-N 1 1 298.386 3.074 20 30 CGEDMO C=C1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CC2CCC2)CC1 ZINC001085800817 801705787 /nfs/dbraw/zinc/70/57/87/801705787.db2.gz CJFVONIDUWKKMI-QGZVFWFLSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1oc2ccccc2c1C ZINC001085959818 801714072 /nfs/dbraw/zinc/71/40/72/801714072.db2.gz MVHHFODMZGLGMD-AWEZNQCLSA-N 1 1 298.386 3.074 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1oc2ccccc2c1C ZINC001085959818 801714079 /nfs/dbraw/zinc/71/40/79/801714079.db2.gz MVHHFODMZGLGMD-AWEZNQCLSA-N 1 1 298.386 3.074 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCCC1(C)C ZINC001085991023 801717179 /nfs/dbraw/zinc/71/71/79/801717179.db2.gz CWXVPMWKAJVSDE-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C1CCC(C)(C)CC1 ZINC001085992880 801719222 /nfs/dbraw/zinc/71/92/22/801719222.db2.gz WBXJQFVCSKEDIP-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(F)=C2CCCC2)[C@H]1CC ZINC001087540135 801755773 /nfs/dbraw/zinc/75/57/73/801755773.db2.gz DJPLGNMRORYZBO-LSDHHAIUSA-N 1 1 294.414 3.329 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC)[C@H]1CC ZINC001087704469 801763753 /nfs/dbraw/zinc/76/37/53/801763753.db2.gz VZVKJUZKDFLVTD-DLBZAZTESA-N 1 1 286.419 3.018 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(C)(C)C2)[C@H]1CC ZINC001087717220 801763983 /nfs/dbraw/zinc/76/39/83/801763983.db2.gz WMLUGYIUAOFFDQ-HRCADAONSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2C(C)(C)C2(C)C)[C@H]1C ZINC001088511058 801799154 /nfs/dbraw/zinc/79/91/54/801799154.db2.gz XRDSBJWQNCGVCE-KGLIPLIRSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC3(CC3)C2)[C@H]1C ZINC001088565073 801801068 /nfs/dbraw/zinc/80/10/68/801801068.db2.gz BRVJMTJXZHQKQO-OAGGEKHMSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC=CCCC2)[C@H]1C ZINC001088657036 801803148 /nfs/dbraw/zinc/80/31/48/801803148.db2.gz PGHVNENWAQHJDP-IKGGRYGDSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2(C)CCCCC2)[C@H]1C ZINC001088834402 801808261 /nfs/dbraw/zinc/80/82/61/801808261.db2.gz QZTTTWMINZWWLF-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2C)[C@H]1C ZINC001088834554 801808717 /nfs/dbraw/zinc/80/87/17/801808717.db2.gz ZNCTYVIAGIAZEI-DOMZBBRYSA-N 1 1 292.810 3.027 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(C(C)C)c2)[C@H]1C ZINC001088958377 801815075 /nfs/dbraw/zinc/81/50/75/801815075.db2.gz YBAGAIOTSNCXGQ-QAPCUYQASA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC(C)(C)C2)[C@H]1C ZINC001089065781 801819054 /nfs/dbraw/zinc/81/90/54/801819054.db2.gz BIWDYQSJEAAZAV-PMPSAXMXSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cc3cccc(C)c3o2)[C@H]1C ZINC001089063346 801819356 /nfs/dbraw/zinc/81/93/56/801819356.db2.gz YULVOSLVPGAVKN-HIFRSBDPSA-N 1 1 298.386 3.120 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CC2CC2)CC(C)(C)C1 ZINC001089295266 801831892 /nfs/dbraw/zinc/83/18/92/801831892.db2.gz FMMKKGLFERQENA-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2CCCC2)CC(C)(C)C1 ZINC001089298100 801832212 /nfs/dbraw/zinc/83/22/12/801832212.db2.gz HJKWHFQASSIOJE-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](C)C2CC2)CC(C)(C)C1 ZINC001089351978 801835455 /nfs/dbraw/zinc/83/54/55/801835455.db2.gz PJSZFRSNTUTHCC-ZBFHGGJFSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2CC(C)(C)C2)CC(C)(C)C1 ZINC001089379959 801838356 /nfs/dbraw/zinc/83/83/56/801838356.db2.gz AYDUENGRBUGBLE-HNNXBMFYSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CC=CC1 ZINC001089623470 801847209 /nfs/dbraw/zinc/84/72/09/801847209.db2.gz PQNHIOVRPWBBGU-MRXNPFEDSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC2(C)C)[C@H](C)C1 ZINC001092893933 801863965 /nfs/dbraw/zinc/86/39/65/801863965.db2.gz FKWCYWCGGUTGAX-OAGGEKHMSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC1(C)C)C2 ZINC001095892882 801884843 /nfs/dbraw/zinc/88/48/43/801884843.db2.gz WCKUTFGVEMAKNF-WCVJEAGWSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCC)CC1 ZINC001095968028 801888717 /nfs/dbraw/zinc/88/87/17/801888717.db2.gz DODLLNWFBPCVTB-IKGGRYGDSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C)CCCC1)C2 ZINC001097596084 801901498 /nfs/dbraw/zinc/90/14/98/801901498.db2.gz FERPLMVUZRVHEM-OAGGEKHMSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@H](C)CC)C1 ZINC001097805060 801905548 /nfs/dbraw/zinc/90/55/48/801905548.db2.gz GNBBNRJKOZMIAK-MIGQKNRLSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cc(C)cc(C)c1)C2 ZINC001098279122 801910275 /nfs/dbraw/zinc/91/02/75/801910275.db2.gz FGPQTEYXYQEYBD-KURKYZTESA-N 1 1 298.430 3.215 20 30 CGEDMO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)/C(C)=C/C ZINC001099000836 801924565 /nfs/dbraw/zinc/92/45/65/801924565.db2.gz NDENEUNRVUYVAY-TZWLIRKLSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)/C(C)=C/C ZINC001099000836 801924571 /nfs/dbraw/zinc/92/45/71/801924571.db2.gz NDENEUNRVUYVAY-TZWLIRKLSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](F)CC ZINC001099174782 801931934 /nfs/dbraw/zinc/93/19/34/801931934.db2.gz BVXCBDHLLFNPFW-LSDHHAIUSA-N 1 1 298.446 3.308 20 30 CGEDMO C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](F)C(C)C ZINC001099176618 801932819 /nfs/dbraw/zinc/93/28/19/801932819.db2.gz QYKLUXDYMGXIRK-GJZGRUSLSA-N 1 1 298.446 3.163 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)C[C@H](C)CC)C[C@]2(C)C1 ZINC001101215360 801975597 /nfs/dbraw/zinc/97/55/97/801975597.db2.gz QDCOCBZFFWHPEA-NUJGCVRESA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)C)C[C@]2(C)C1 ZINC001101440881 801979337 /nfs/dbraw/zinc/97/93/37/801979337.db2.gz YYILSURONDWBAQ-DAYGRLMNSA-N 1 1 292.467 3.168 20 30 CGEDMO CCCCCCC[N@@H+]1C[C@@H](CNC(=O)C2CC2)[C@H](C)C1 ZINC001101658242 801986250 /nfs/dbraw/zinc/98/62/50/801986250.db2.gz LUHMCSHRDLQZSH-GDBMZVCRSA-N 1 1 280.456 3.051 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C2=CCCC2)[C@H](C)C1 ZINC001101868892 801993354 /nfs/dbraw/zinc/99/33/54/801993354.db2.gz SJPJFILNEVMLFR-HLLBOEOZSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](CNC(=O)C(F)=C2CCCC2)[C@H](C)C1 ZINC001101875731 801993386 /nfs/dbraw/zinc/99/33/86/801993386.db2.gz JIDUALQFYISODE-UKRRQHHQSA-N 1 1 294.414 3.044 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](CNC(=O)C(C)=C2CCC2)[C@H](C)C1 ZINC001101950117 801996062 /nfs/dbraw/zinc/99/60/62/801996062.db2.gz JZTTUHFEORYHII-RHSMWYFYSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)C[C@@H](C)CC)[C@H](C)C1 ZINC001101918636 801996770 /nfs/dbraw/zinc/99/67/70/801996770.db2.gz XUKTXCVNQLDGAC-ARFHVFGLSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)C(C)C)[C@H](C)C1 ZINC001102002271 801997745 /nfs/dbraw/zinc/99/77/45/801997745.db2.gz AHHIGTJYCZPEEE-HZPDHXFCSA-N 1 1 294.483 3.319 20 30 CGEDMO CCCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[C@@H]2C)[C@H](C)C1 ZINC001102227483 802000311 /nfs/dbraw/zinc/00/03/11/802000311.db2.gz GXWSRSQBCGZPKQ-HZMVEIRTSA-N 1 1 294.483 3.297 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H]1C[N@H+](CCCCCF)C[C@H]1C ZINC001102229989 802000368 /nfs/dbraw/zinc/00/03/68/802000368.db2.gz NGWNNUYBYRKZEB-HUUCEWRRSA-N 1 1 298.446 3.023 20 30 CGEDMO C=CCCCC(=O)NC[C@@H]1C[N@H+](CC2CCCC2)C[C@H]1C ZINC001102295617 802003740 /nfs/dbraw/zinc/00/37/40/802003740.db2.gz SPWCAZCEYZLBTE-NVXWUHKLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C ZINC001102264759 802005017 /nfs/dbraw/zinc/00/50/17/802005017.db2.gz YJUDDIMZHLSDJZ-BRWVUGGUSA-N 1 1 294.483 3.319 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H]2C[N@@H+](CCC(C)C)C[C@H]2C)C1 ZINC001102350922 802006894 /nfs/dbraw/zinc/00/68/94/802006894.db2.gz FJPJWLLNTKYIHG-HZPDHXFCSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1C[N@@H+](C[C@H](F)CC)C[C@H]1C ZINC001102410183 802007627 /nfs/dbraw/zinc/00/76/27/802007627.db2.gz ORVWQJRGTIHBRB-RBSFLKMASA-N 1 1 298.446 3.021 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](CNC(=O)CC[C@@H](C)CC)[C@H](C)C1 ZINC001102478009 802008141 /nfs/dbraw/zinc/00/81/41/802008141.db2.gz AMSAHEYUUDACPW-GVDBMIGSSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](CNC(=O)C[C@H](C)C2CC2)[C@H](C)C1 ZINC001102602467 802013694 /nfs/dbraw/zinc/01/36/94/802013694.db2.gz RBVFVDHZDWKUKP-ZMSDIMECSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cccs2)C1 ZINC001102645496 802016085 /nfs/dbraw/zinc/01/60/85/802016085.db2.gz RTLZADJJIHXFMH-ZIAGYGMSSA-N 1 1 292.448 3.012 20 30 CGEDMO C=CCCC(=O)NCC[C@@H]1C[N@@H+](CC(CC)CC)C[C@H]1C ZINC001102762686 802018883 /nfs/dbraw/zinc/01/88/83/802018883.db2.gz LFMPSVGFJBFFEP-NVXWUHKLSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)C(C)(C)C)C1 ZINC001103145894 802027025 /nfs/dbraw/zinc/02/70/25/802027025.db2.gz UIZPSVRRNPCNNE-BZUAXINKSA-N 1 1 294.483 3.319 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)C(=C)C)C1 ZINC001103306561 802028628 /nfs/dbraw/zinc/02/86/28/802028628.db2.gz LSFOYXVMSBYGOO-HZPDHXFCSA-N 1 1 292.467 3.239 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2CC(C)(C)C2)C1 ZINC001103360809 802032574 /nfs/dbraw/zinc/03/25/74/802032574.db2.gz VNPOEPCGIJSFEM-GDBMZVCRSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)C[C@@H](C)CCC)CCC[C@@H]12 ZINC001107322986 802086447 /nfs/dbraw/zinc/08/64/47/802086447.db2.gz LAHRBWCSFSEKIC-LZLYRXPVSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](C)C(C)(C)C)CCC[C@@H]12 ZINC001107450898 802087652 /nfs/dbraw/zinc/08/76/52/802087652.db2.gz PCQCQOGNLHRTSE-HDMKZQKVSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC)CC2 ZINC001107515059 802090874 /nfs/dbraw/zinc/09/08/74/802090874.db2.gz JUNWJEMRQRFOCY-LZLYRXPVSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](CC)CCCC)C2 ZINC001108954063 802104930 /nfs/dbraw/zinc/10/49/30/802104930.db2.gz BPNZKKUZCCFZKP-FZKCQIBNSA-N 1 1 278.440 3.110 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(CC)CC)C2 ZINC001108959490 802106153 /nfs/dbraw/zinc/10/61/53/802106153.db2.gz WRJABJPWNLOVIN-PMPSAXMXSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C=C(\C)C1CC1)C2 ZINC001109004682 802106485 /nfs/dbraw/zinc/10/64/85/802106485.db2.gz NBOLKVCSCRIZBB-LAFREGTGSA-N 1 1 288.435 3.030 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C/Cl ZINC001109597615 802116707 /nfs/dbraw/zinc/11/67/07/802116707.db2.gz RATKNTOPECEEBB-HWPNMJMYSA-N 1 1 296.842 3.063 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C/C=C/Cl ZINC001109597615 802116713 /nfs/dbraw/zinc/11/67/13/802116713.db2.gz RATKNTOPECEEBB-HWPNMJMYSA-N 1 1 296.842 3.063 20 30 CGEDMO CCCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCF)C2 ZINC001109614818 802119477 /nfs/dbraw/zinc/11/94/77/802119477.db2.gz UPNCAGMUSMTXEI-PMPSAXMXSA-N 1 1 298.446 3.428 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(CCC)CCC1)C2 ZINC001109629347 802120994 /nfs/dbraw/zinc/12/09/94/802120994.db2.gz ASOUCWFMGQUBJH-PMPSAXMXSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)C ZINC001109634174 802121537 /nfs/dbraw/zinc/12/15/37/802121537.db2.gz FIOXECHNRSAJNT-NCOADZHNSA-N 1 1 292.467 3.356 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)CC(C)C)C2 ZINC001109950002 802128876 /nfs/dbraw/zinc/12/88/76/802128876.db2.gz HBKHXLPZBXWMOC-PMPSAXMXSA-N 1 1 292.467 3.356 20 30 CGEDMO CCCCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCF ZINC001110023496 802130099 /nfs/dbraw/zinc/13/00/99/802130099.db2.gz UOSWOTSBFYQGNR-PMPSAXMXSA-N 1 1 298.446 3.428 20 30 CGEDMO CCCCCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCF ZINC001110023496 802130101 /nfs/dbraw/zinc/13/01/01/802130101.db2.gz UOSWOTSBFYQGNR-PMPSAXMXSA-N 1 1 298.446 3.428 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CCCC)C(C)C)C2 ZINC001110162999 802131527 /nfs/dbraw/zinc/13/15/27/802131527.db2.gz QAHRJDSGDSJHOM-NCOADZHNSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C=C(C)C)C2 ZINC001110260046 802133920 /nfs/dbraw/zinc/13/39/20/802133920.db2.gz UXWUJWCDHWYBJF-ZACQAIPSSA-N 1 1 290.451 3.421 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC1CC1)C2 ZINC001110411002 802140179 /nfs/dbraw/zinc/14/01/79/802140179.db2.gz RQCWVBPRIYJGFK-SVGFKBNWSA-N 1 1 290.451 3.253 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)/C=C/C1CC1)C2 ZINC001110427326 802140619 /nfs/dbraw/zinc/14/06/19/802140619.db2.gz PUWIJIKWZVSKSN-UOWJEOMTSA-N 1 1 288.435 3.029 20 30 CGEDMO C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCC ZINC001110462833 802142141 /nfs/dbraw/zinc/14/21/41/802142141.db2.gz FVWRRWUZWHQBSZ-ZACQAIPSSA-N 1 1 290.451 3.092 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCCF ZINC001110898617 802149197 /nfs/dbraw/zinc/14/91/97/802149197.db2.gz MJTMFCKWITXRPT-KFWWJZLASA-N 1 1 296.430 3.060 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C)CCCC1)C2 ZINC001110869693 802149253 /nfs/dbraw/zinc/14/92/53/802149253.db2.gz IXQGLCJAYFIRSK-OAGGEKHMSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)C ZINC001110934474 802149905 /nfs/dbraw/zinc/14/99/05/802149905.db2.gz FIOXECHNRSAJNT-HZMVEIRTSA-N 1 1 292.467 3.356 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(CC)CCC1)C2 ZINC001110927200 802150125 /nfs/dbraw/zinc/15/01/25/802150125.db2.gz KIHJJVNCITZQQR-OAGGEKHMSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC ZINC001110984666 802152417 /nfs/dbraw/zinc/15/24/17/802152417.db2.gz KZCRYYKFALWWTM-AIANPOQGSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(CC)CCCC1)C2 ZINC001111217272 802156743 /nfs/dbraw/zinc/15/67/43/802156743.db2.gz PCZAZOLMMNMGEJ-OAGGEKHMSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H](C)C(C)(C)C)C2 ZINC001111323407 802158998 /nfs/dbraw/zinc/15/89/98/802158998.db2.gz ZXTJIDIDMQMEDT-JJXSEGSLSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C/C=C(\C)C=C)C1 ZINC001111837065 802168992 /nfs/dbraw/zinc/16/89/92/802168992.db2.gz GPRSFUFTLRZXJD-IXTTWUQQSA-N 1 1 288.435 3.056 20 30 CGEDMO CCCCCCC[NH+]1CCN(C(=O)c2cccs2)CC1 ZINC001112599281 802180925 /nfs/dbraw/zinc/18/09/25/802180925.db2.gz MRYCTSMQTRDERU-UHFFFAOYSA-N 1 1 294.464 3.476 20 30 CGEDMO C=CCCC[NH+]1CCN(C(=O)[C@@](C)(F)CCCC)CC1 ZINC001113042938 802200295 /nfs/dbraw/zinc/20/02/95/802200295.db2.gz YKBHLFJIYAANJI-INIZCTEOSA-N 1 1 284.419 3.015 20 30 CGEDMO CCCCCCC[NH+]1CCN(C(=O)C2(F)CCCC2)CC1 ZINC001113052207 802200913 /nfs/dbraw/zinc/20/09/13/802200913.db2.gz PMWHGAPOTFZYCH-UHFFFAOYSA-N 1 1 298.446 3.383 20 30 CGEDMO C=C1CCC(C(=O)N2CC[NH+](CCCCCF)CC2)CC1 ZINC001113303140 802212194 /nfs/dbraw/zinc/21/21/94/802212194.db2.gz NKNGRAJFVTYUAY-UHFFFAOYSA-N 1 1 296.430 3.017 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H]2C(NC(=O)/C(C)=C\CC)[C@@H]2C1 ZINC001113965232 802236489 /nfs/dbraw/zinc/23/64/89/802236489.db2.gz LCBICKYCBFJMFR-MLVYURTISA-N 1 1 290.451 3.136 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC001114726300 802243535 /nfs/dbraw/zinc/24/35/35/802243535.db2.gz KENNNRGRWUCUFR-LJIGWXMPSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)CC(C)(C)C ZINC001115282677 802255596 /nfs/dbraw/zinc/25/55/96/802255596.db2.gz UMKBZOLRIIOCJN-FICVDOATSA-N 1 1 292.467 3.071 20 30 CGEDMO C[C@@H](Cc1ccncc1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC001256749581 806971920 /nfs/dbraw/zinc/97/19/20/806971920.db2.gz QPOFRVDMRDDDGC-AWEZNQCLSA-N 1 1 265.360 3.016 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc(SC)cc2)C1 ZINC001116552492 802377362 /nfs/dbraw/zinc/37/73/62/802377362.db2.gz LMCMNRDFOHJONO-CQSZACIVSA-N 1 1 263.406 3.185 20 30 CGEDMO C#CC[N@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)CC1CC1 ZINC001116725199 802402269 /nfs/dbraw/zinc/40/22/69/802402269.db2.gz UMWDRGHFESOVRR-GXDHUFHOSA-N 1 1 284.359 3.343 20 30 CGEDMO CC(C)COCC[C@H](C)[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001172474671 808339494 /nfs/dbraw/zinc/33/94/94/808339494.db2.gz VBEOGNMXRQAJPE-HNNXBMFYSA-N 1 1 286.419 3.368 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCO[C@](C)(c2ccc(F)cc2)C1 ZINC001172501919 808357408 /nfs/dbraw/zinc/35/74/08/808357408.db2.gz SFXPBOUUYBXROH-YOEHRIQHSA-N 1 1 290.382 3.455 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCO[C@@](C)(c2ccc(F)cc2)C1 ZINC001172501918 808357822 /nfs/dbraw/zinc/35/78/22/808357822.db2.gz SFXPBOUUYBXROH-WMLDXEAASA-N 1 1 290.382 3.455 20 30 CGEDMO N#CC1(c2ccccc2)CC([NH2+]Cc2cc(C3CC3)no2)C1 ZINC001119437620 802664247 /nfs/dbraw/zinc/66/42/47/802664247.db2.gz BRUYOQBLEXIMNA-UHFFFAOYSA-N 1 1 293.370 3.266 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)CCCC)C1 ZINC001120321678 802739627 /nfs/dbraw/zinc/73/96/27/802739627.db2.gz ZQUCJUTXZUIOJJ-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO N#Cc1ccc2nc(N[C@@H]3CC[N@H+]4CCCC[C@H]34)ccc2c1 ZINC001120804842 802779827 /nfs/dbraw/zinc/77/98/27/802779827.db2.gz ULGWXWUHMNKZMP-IAGOWNOFSA-N 1 1 292.386 3.145 20 30 CGEDMO Cc1[nH+]ccn1CCNc1cccc(C(F)F)c1C#N ZINC001120953382 802797184 /nfs/dbraw/zinc/79/71/84/802797184.db2.gz KFJVAVRMUAGASS-UHFFFAOYSA-N 1 1 276.290 3.113 20 30 CGEDMO Cc1[nH+]ccn1CCNc1ccc(C#N)cc1C(F)(F)F ZINC001120953008 802797248 /nfs/dbraw/zinc/79/72/48/802797248.db2.gz DMLUFPMSWOUOEH-UHFFFAOYSA-N 1 1 294.280 3.194 20 30 CGEDMO C#CC1(N[C@@H]2CCC[N@@H+](C3CCCC3)C2)CCCCC1 ZINC001256907878 807006991 /nfs/dbraw/zinc/00/69/91/807006991.db2.gz GXCCCOLWADRRPY-MRXNPFEDSA-N 1 1 274.452 3.319 20 30 CGEDMO C#CC1(N[C@@H]2CCC[N@H+](C3CCCC3)C2)CCCCC1 ZINC001256907878 807006996 /nfs/dbraw/zinc/00/69/96/807006996.db2.gz GXCCCOLWADRRPY-MRXNPFEDSA-N 1 1 274.452 3.319 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](NC(=O)CC)CC[C@H]1C ZINC001131736536 803338033 /nfs/dbraw/zinc/33/80/33/803338033.db2.gz ZKNWIXVIILFJSW-CABCVRRESA-N 1 1 268.445 3.336 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)CCC2CCC2)CC[C@@H]1C ZINC001131943431 803359502 /nfs/dbraw/zinc/35/95/02/803359502.db2.gz PJOKLLPOPFVBQX-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCC)C1 ZINC001132057598 803369504 /nfs/dbraw/zinc/36/95/04/803369504.db2.gz RPMAQCAOZRJORV-GOEBONIOSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)C(C)=C2CCC2)CC[C@H]1C ZINC001132047391 803370257 /nfs/dbraw/zinc/37/02/57/803370257.db2.gz WVIQGDPBSZCNQY-PBHICJAKSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCC2CC2)C1 ZINC001132060135 803371249 /nfs/dbraw/zinc/37/12/49/803371249.db2.gz AGVWOQYZNDTVKP-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCC(=C)C)C1 ZINC001132072545 803371434 /nfs/dbraw/zinc/37/14/34/803371434.db2.gz LTNVWVAHTWYSNO-CVEARBPZSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](C/C=C/Cl)C1 ZINC001132061721 803371490 /nfs/dbraw/zinc/37/14/90/803371490.db2.gz XYRWJKVBHASHQF-YESVKVCSSA-N 1 1 298.858 3.310 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](C/C=C/Cl)C1 ZINC001132061721 803371498 /nfs/dbraw/zinc/37/14/98/803371498.db2.gz XYRWJKVBHASHQF-YESVKVCSSA-N 1 1 298.858 3.310 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(C)C)C1 ZINC001132060613 803371942 /nfs/dbraw/zinc/37/19/42/803371942.db2.gz IMTDYYXJPCDVCB-LSDHHAIUSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCC[N@H+]1C[C@H](NC(=O)C2(CC(C)C)CC2)CC[C@H]1C ZINC001132086149 803372716 /nfs/dbraw/zinc/37/27/16/803372716.db2.gz CVACZOSBWBZQIH-HZPDHXFCSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@H+](CC2CCC2)C1 ZINC001132221199 803380022 /nfs/dbraw/zinc/38/00/22/803380022.db2.gz DEKGFGHLVIVSBF-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@H+](CC2CCC2)C1 ZINC001132221198 803380503 /nfs/dbraw/zinc/38/05/03/803380503.db2.gz DEKGFGHLVIVSBF-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)CCCC2CC2)CC[C@H]1C ZINC001132250025 803387448 /nfs/dbraw/zinc/38/74/48/803387448.db2.gz WPOFGEREXVSKBB-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@H+](CC(=C)C)C2)CCC1 ZINC001132283479 803391847 /nfs/dbraw/zinc/39/18/47/803391847.db2.gz XXHNMPKLPQXPRZ-JKSUJKDBSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)C2(CF)CCC2)CC[C@H]1C ZINC001132313719 803395487 /nfs/dbraw/zinc/39/54/87/803395487.db2.gz CQQSUMBTXIHXDM-CABCVRRESA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[C@H](C)[N@@H+](CCCC)C1 ZINC001132330512 803396574 /nfs/dbraw/zinc/39/65/74/803396574.db2.gz IIGGLLDLMLPKPG-GJZGRUSLSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC[N@H+]1C[C@H](NC(=O)C(C)(C)CC(C)C)CC[C@@H]1C ZINC001132417370 803402244 /nfs/dbraw/zinc/40/22/44/803402244.db2.gz WNAIWXYWZNSJTK-LSDHHAIUSA-N 1 1 280.456 3.214 20 30 CGEDMO C#CCC[N@H+]1C[C@H](NC(=O)C(C)(C)CC(C)C)CC[C@@H]1C ZINC001132416150 803402866 /nfs/dbraw/zinc/40/28/66/803402866.db2.gz AOUMIVBBPSJVGI-JKSUJKDBSA-N 1 1 292.467 3.051 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2c[nH]c3cccc(F)c23)C1 ZINC001136985074 803668294 /nfs/dbraw/zinc/66/82/94/803668294.db2.gz YPDIZFBNRZPQCE-LBPRGKRZSA-N 1 1 271.339 3.433 20 30 CGEDMO N#CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2nccs2)cc1 ZINC001137120307 803685295 /nfs/dbraw/zinc/68/52/95/803685295.db2.gz CIQSQYUMXSBSHJ-OAHLLOKOSA-N 1 1 299.399 3.383 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CCC[C@@H]2c2nccs2)cc1 ZINC001137120307 803685296 /nfs/dbraw/zinc/68/52/96/803685296.db2.gz CIQSQYUMXSBSHJ-OAHLLOKOSA-N 1 1 299.399 3.383 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC001137393819 803728246 /nfs/dbraw/zinc/72/82/46/803728246.db2.gz KHMVJNJQIZNYAR-MRXNPFEDSA-N 1 1 277.371 3.484 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC001137393819 803728248 /nfs/dbraw/zinc/72/82/48/803728248.db2.gz KHMVJNJQIZNYAR-MRXNPFEDSA-N 1 1 277.371 3.484 20 30 CGEDMO CC[C@H]1CCCC[N@H+]1Cc1ccc(OC)cc1C#N ZINC001137704534 803760687 /nfs/dbraw/zinc/76/06/87/803760687.db2.gz KJHNUIBAZBLTOT-HNNXBMFYSA-N 1 1 258.365 3.331 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1c(O)cccc1F ZINC001137837685 803781617 /nfs/dbraw/zinc/78/16/17/803781617.db2.gz QWRXHUNJSNHRJS-UHFFFAOYSA-N 1 1 270.307 3.035 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1c(O)cccc1F ZINC001137837685 803781620 /nfs/dbraw/zinc/78/16/20/803781620.db2.gz QWRXHUNJSNHRJS-UHFFFAOYSA-N 1 1 270.307 3.035 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCCC[C@H](C)C2)cc1OC ZINC001138344129 803898880 /nfs/dbraw/zinc/89/88/80/803898880.db2.gz YFKVWXDYDGTAMF-HNNXBMFYSA-N 1 1 287.403 3.329 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCCCC[C@@H]2C)cc1OC ZINC001138346036 803899195 /nfs/dbraw/zinc/89/91/95/803899195.db2.gz VHRRDYPXCPTTKO-HNNXBMFYSA-N 1 1 287.403 3.472 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC[C@@H]2C(C)C)cc1OC ZINC001138346830 803899439 /nfs/dbraw/zinc/89/94/39/803899439.db2.gz OURRYYHPZIKTKO-MRXNPFEDSA-N 1 1 287.403 3.328 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)cc1OC ZINC001138348463 803901190 /nfs/dbraw/zinc/90/11/90/803901190.db2.gz JWDNEGNPLNNTRM-IRXDYDNUSA-N 1 1 299.414 3.472 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CC[C@H](C)C[C@@H]2C)cc1OC ZINC001138349427 803901502 /nfs/dbraw/zinc/90/15/02/803901502.db2.gz YWGDEJPFKPJDRE-GJZGRUSLSA-N 1 1 287.403 3.328 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2[nH]c3ccccc3c2C)C1 ZINC001138401014 803918272 /nfs/dbraw/zinc/91/82/72/803918272.db2.gz AJGCEIYWOGNGIS-AWEZNQCLSA-N 1 1 252.361 3.322 20 30 CGEDMO Cc1c2ccccc2[nH]c1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001138401973 803919663 /nfs/dbraw/zinc/91/96/63/803919663.db2.gz YYRJFUYIHSQZIK-INIZCTEOSA-N 1 1 253.349 3.212 20 30 CGEDMO Cc1c2ccccc2[nH]c1C[N@H+]1CC[C@@](C)(C#N)C1 ZINC001138401973 803919670 /nfs/dbraw/zinc/91/96/70/803919670.db2.gz YYRJFUYIHSQZIK-INIZCTEOSA-N 1 1 253.349 3.212 20 30 CGEDMO COc1ccc(C)cc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001138488091 803948641 /nfs/dbraw/zinc/94/86/41/803948641.db2.gz UJWYRDNCXWQSDP-CQSZACIVSA-N 1 1 258.365 3.129 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)cc1 ZINC001138557329 803966436 /nfs/dbraw/zinc/96/64/36/803966436.db2.gz HNNMQJAGFJSWQT-AEFFLSMTSA-N 1 1 269.388 3.463 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@@H](F)CC2)cc1 ZINC001138556063 803967009 /nfs/dbraw/zinc/96/70/09/803967009.db2.gz DIVBJKILXCPNFG-OAHLLOKOSA-N 1 1 261.340 3.023 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@H]2C(C)C)cc1 ZINC001138560513 803968560 /nfs/dbraw/zinc/96/85/60/803968560.db2.gz YEAGXGMUYKLFDU-KRWDZBQOSA-N 1 1 257.377 3.319 20 30 CGEDMO C=CCc1cccc(C[N@@H+](C)Cc2ccccn2)c1O ZINC001138624680 803982913 /nfs/dbraw/zinc/98/29/13/803982913.db2.gz SFMFEBXVTSTJEP-UHFFFAOYSA-N 1 1 268.360 3.148 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CC[C@]3(C2)CCCCO3)c1O ZINC001138625595 803983185 /nfs/dbraw/zinc/98/31/85/803983185.db2.gz PTAFCXJYYDAUBE-SFHVURJKSA-N 1 1 287.403 3.266 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2CCCC[C@H]2C(C)=O)c1O ZINC001138630462 803985110 /nfs/dbraw/zinc/98/51/10/803985110.db2.gz XFMGXRHTZVJAIK-INIZCTEOSA-N 1 1 273.376 3.064 20 30 CGEDMO C=CCc1cccc(C[N@@H+](C)CCc2cccnc2)c1O ZINC001138627860 803985501 /nfs/dbraw/zinc/98/55/01/803985501.db2.gz HEFVHEHHYJPHLO-UHFFFAOYSA-N 1 1 282.387 3.190 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CC[C@]2(CCCO2)C1 ZINC001138662396 803997344 /nfs/dbraw/zinc/99/73/44/803997344.db2.gz WWHBTDBKWFCJKD-GOSISDBHSA-N 1 1 287.403 3.396 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(OC)c2cccc(OC)c12 ZINC001138752083 804029803 /nfs/dbraw/zinc/02/98/03/804029803.db2.gz BXFKBGINAFWNRH-UHFFFAOYSA-N 1 1 271.360 3.475 20 30 CGEDMO C=CCCCCCC[C@H](O)C[NH2+][C@@H](CN)c1ccccc1 ZINC001245971583 804091868 /nfs/dbraw/zinc/09/18/68/804091868.db2.gz BBFOXZQOHQPNER-ROUUACIJSA-N 1 1 290.451 3.164 20 30 CGEDMO C#CC(CC)(CC)N[C@@H]1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001246073263 804110249 /nfs/dbraw/zinc/11/02/49/804110249.db2.gz WGPHNZCYCGKIHJ-QZTJIDSGSA-N 1 1 284.447 3.131 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001139029309 804112062 /nfs/dbraw/zinc/11/20/62/804112062.db2.gz SVJPAWQJNUVYPT-KKUMJFAQSA-N 1 1 261.340 3.041 20 30 CGEDMO CCCCCCCCC[C@@H](C)N[C@H]1C[NH2+]CCOC1 ZINC001246093548 804125564 /nfs/dbraw/zinc/12/55/64/804125564.db2.gz OKUYBLFEWBJDNT-CVEARBPZSA-N 1 1 270.461 3.094 20 30 CGEDMO Cn1ccc2cc(C[N@H+]3CCC[C@@H](CC#N)C3)ccc21 ZINC001139190635 804153235 /nfs/dbraw/zinc/15/32/35/804153235.db2.gz UUFXNHMKRFUXBL-AWEZNQCLSA-N 1 1 267.376 3.304 20 30 CGEDMO CCCCCCCCC[C@H](C)[NH2+][C@H]1CNC[C@H]1F ZINC001246129313 804155586 /nfs/dbraw/zinc/15/55/86/804155586.db2.gz VMWNDOHGSHHZBN-ZNMIVQPWSA-N 1 1 258.425 3.415 20 30 CGEDMO Cn1ccc2ccc(C[N@H+]3CCC[C@H](CC#N)C3)cc21 ZINC001139203803 804161723 /nfs/dbraw/zinc/16/17/23/804161723.db2.gz ADIGAFXZGWNRBA-CQSZACIVSA-N 1 1 267.376 3.304 20 30 CGEDMO CCCCCCCCC[C@@H](C)[NH2+]C[C@@]12CN[C@@H](CO1)C2 ZINC001246148964 804169465 /nfs/dbraw/zinc/16/94/65/804169465.db2.gz OUYXOXUVJVONEP-ZACQAIPSSA-N 1 1 282.472 3.236 20 30 CGEDMO C=CC[NH+]1CCN(Cc2ccc(-c3ccsc3)nc2)CC1 ZINC001139498719 804195145 /nfs/dbraw/zinc/19/51/45/804195145.db2.gz CVURYGBNDMCUBQ-UHFFFAOYSA-N 1 1 299.443 3.114 20 30 CGEDMO C=CCN1CC[NH+](Cc2ccc(-c3ccsc3)nc2)CC1 ZINC001139498719 804195151 /nfs/dbraw/zinc/19/51/51/804195151.db2.gz CVURYGBNDMCUBQ-UHFFFAOYSA-N 1 1 299.443 3.114 20 30 CGEDMO CCCCCCC[C@@H](CC)[NH2+][C@@H]1CCNC[C@H]1OC ZINC001246218354 804212896 /nfs/dbraw/zinc/21/28/96/804212896.db2.gz PFJURHCYVBBYAA-BZUAXINKSA-N 1 1 270.461 3.092 20 30 CGEDMO CC(C)[N@H+](Cc1cc(C#N)ccc1F)C1CCN(C)CC1 ZINC001139650426 804244151 /nfs/dbraw/zinc/24/41/51/804244151.db2.gz GOQKDPCMROOUPF-UHFFFAOYSA-N 1 1 289.398 3.002 20 30 CGEDMO CC(C)[N@@H+](Cc1cc(C#N)ccc1F)C1CCN(C)CC1 ZINC001139650426 804244159 /nfs/dbraw/zinc/24/41/59/804244159.db2.gz GOQKDPCMROOUPF-UHFFFAOYSA-N 1 1 289.398 3.002 20 30 CGEDMO C=CC[NH+](CC=C)Cc1c(C)nc2cc(C)ccn21 ZINC001139678073 804250081 /nfs/dbraw/zinc/25/00/81/804250081.db2.gz RIRFSKPAIFHKHW-UHFFFAOYSA-N 1 1 255.365 3.125 20 30 CGEDMO CC1(C)C[N@H+](Cc2cccc(Cl)c2C#N)[C@@](C)(CO)C1 ZINC001139686727 804254537 /nfs/dbraw/zinc/25/45/37/804254537.db2.gz CWODOPPRHOVFNL-MRXNPFEDSA-N 1 1 292.810 3.195 20 30 CGEDMO CC1(C)C[N@@H+](Cc2cccc(Cl)c2C#N)[C@@](C)(CO)C1 ZINC001139686727 804254542 /nfs/dbraw/zinc/25/45/42/804254542.db2.gz CWODOPPRHOVFNL-MRXNPFEDSA-N 1 1 292.810 3.195 20 30 CGEDMO C[N@H+](Cc1cccc(Cl)c1C#N)CC1CCOCC1 ZINC001139686907 804255100 /nfs/dbraw/zinc/25/51/00/804255100.db2.gz HEJHGDZUDQKXKG-UHFFFAOYSA-N 1 1 278.783 3.070 20 30 CGEDMO N#Cc1c(Cl)cccc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC001139693746 804256765 /nfs/dbraw/zinc/25/67/65/804256765.db2.gz QUGREJUIFPHTOL-INIZCTEOSA-N 1 1 290.794 3.214 20 30 CGEDMO N#Cc1c(Cl)cccc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC001139693746 804256769 /nfs/dbraw/zinc/25/67/69/804256769.db2.gz QUGREJUIFPHTOL-INIZCTEOSA-N 1 1 290.794 3.214 20 30 CGEDMO COCCC1CC[NH+](Cc2cccc(Cl)c2C#N)CC1 ZINC001139690791 804256876 /nfs/dbraw/zinc/25/68/76/804256876.db2.gz KFOQWKNKIASFBD-UHFFFAOYSA-N 1 1 292.810 3.460 20 30 CGEDMO C[N@@H+](Cc1c[nH]c2c1cccc2C#N)Cc1ccccc1O ZINC001139706524 804261582 /nfs/dbraw/zinc/26/15/82/804261582.db2.gz XUAMSEODCKQKTJ-UHFFFAOYSA-N 1 1 291.354 3.377 20 30 CGEDMO Cc1cc(O)cc(C)c1C[N@H+]1CCc2cc(C#N)ccc2C1 ZINC001139712442 804262620 /nfs/dbraw/zinc/26/26/20/804262620.db2.gz RNAQMTNUSCCELH-UHFFFAOYSA-N 1 1 292.382 3.439 20 30 CGEDMO Cc1ccc(C[N@H+](C)CCc2noc(C(C)C)n2)cc1C#N ZINC001139723176 804266789 /nfs/dbraw/zinc/26/67/89/804266789.db2.gz UFMYJMUZZDHVJU-UHFFFAOYSA-N 1 1 298.390 3.048 20 30 CGEDMO C=CCn1cc(C[N@@H+](Cc2ccccc2)C(C)C)cn1 ZINC001139766212 804277153 /nfs/dbraw/zinc/27/71/53/804277153.db2.gz LTOLDFKUGVCDPT-UHFFFAOYSA-N 1 1 269.392 3.480 20 30 CGEDMO C=CCn1cc(C[N@H+](CC)Cc2cccc(F)c2)cn1 ZINC001139771136 804277812 /nfs/dbraw/zinc/27/78/12/804277812.db2.gz PNRSYMKGDLAIBZ-UHFFFAOYSA-N 1 1 273.355 3.230 20 30 CGEDMO N#Cc1cc(F)cc(C[N@H+]2CC[C@@H](c3cccnc3)C2)c1 ZINC001139875416 804306802 /nfs/dbraw/zinc/30/68/02/804306802.db2.gz MDTSLDDRYWGNSF-MRXNPFEDSA-N 1 1 281.334 3.082 20 30 CGEDMO CCCCCCC[C@H](CC)[NH2+][C@@H]1CNCC[C@@H]1F ZINC001246481694 804356050 /nfs/dbraw/zinc/35/60/50/804356050.db2.gz JSFYVCTWNMLBAB-SOUVJXGZSA-N 1 1 258.425 3.415 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@H](C#N)CC2)c(C)cc1O ZINC001140201404 804400561 /nfs/dbraw/zinc/40/05/61/804400561.db2.gz KNJYYMGORJWISI-AWEZNQCLSA-N 1 1 258.365 3.135 20 30 CGEDMO CCCCCCCCC[C@H](C)[N@@H+](C)C[C@@H]1CNCCO1 ZINC001246562189 804411353 /nfs/dbraw/zinc/41/13/53/804411353.db2.gz YYHVRJCHUSWLFA-IRXDYDNUSA-N 1 1 284.488 3.436 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(-c3cncnc3)cc2)C1 ZINC001140356100 804423418 /nfs/dbraw/zinc/42/34/18/804423418.db2.gz RWWPGLHAHAILKI-HNNXBMFYSA-N 1 1 292.386 3.269 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cnc(-c3ccccc3F)nc2)C1 ZINC001140405519 804430501 /nfs/dbraw/zinc/43/05/01/804430501.db2.gz XQDODBLXEJPKKL-AWEZNQCLSA-N 1 1 295.361 3.128 20 30 CGEDMO N#Cc1ccc2ccccc2c1Nc1ccc[nH+]c1N ZINC001212399545 815018746 /nfs/dbraw/zinc/01/87/46/815018746.db2.gz DUZLUIOQWTWYMD-UHFFFAOYSA-N 1 1 260.300 3.432 20 30 CGEDMO CCCCCCC[C@@H](CC)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC001246634114 804464131 /nfs/dbraw/zinc/46/41/31/804464131.db2.gz ACCCXDQGCYAYGW-ARFHVFGLSA-N 1 1 252.446 3.419 20 30 CGEDMO CSCC[N@H+](C)Cc1cc(C#N)ccc1Cl ZINC001140604061 804472962 /nfs/dbraw/zinc/47/29/62/804472962.db2.gz OMDPDUPODWTAAJ-UHFFFAOYSA-N 1 1 254.786 3.006 20 30 CGEDMO CSCC[N@@H+](C)Cc1cc(C#N)ccc1Cl ZINC001140604061 804472966 /nfs/dbraw/zinc/47/29/66/804472966.db2.gz OMDPDUPODWTAAJ-UHFFFAOYSA-N 1 1 254.786 3.006 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccc(OC(F)F)c(O)c2)C1 ZINC001140628870 804477710 /nfs/dbraw/zinc/47/77/10/804477710.db2.gz GCLNRSXKPLDTJZ-NSHDSACASA-N 1 1 296.317 3.119 20 30 CGEDMO CCc1cc(Nc2ccc[nH+]c2N)cc(CC)c1C#N ZINC001212405536 815021144 /nfs/dbraw/zinc/02/11/44/815021144.db2.gz FRUWJDWJWHABLZ-UHFFFAOYSA-N 1 1 266.348 3.404 20 30 CGEDMO CCCCCCC[C@@H](CC(C)C)[N@H+]1CCNC[C@@H]1CO ZINC001246694452 804498917 /nfs/dbraw/zinc/49/89/17/804498917.db2.gz IKHNGIVAYNVGJM-DLBZAZTESA-N 1 1 284.488 3.028 20 30 CGEDMO CC1CC([N@@H+](C)Cc2cc(F)c(C#N)c(F)c2)C1 ZINC001140752244 804504564 /nfs/dbraw/zinc/50/45/64/804504564.db2.gz IDPZMIKQAKXDCN-UHFFFAOYSA-N 1 1 250.292 3.067 20 30 CGEDMO C[N@H+](Cc1cccc(O)c1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140751043 804504780 /nfs/dbraw/zinc/50/47/80/804504780.db2.gz HKXCYGLJJCSYJG-UHFFFAOYSA-N 1 1 288.297 3.174 20 30 CGEDMO C[N@@H+](Cc1cccc(O)c1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140751043 804504783 /nfs/dbraw/zinc/50/47/83/804504783.db2.gz HKXCYGLJJCSYJG-UHFFFAOYSA-N 1 1 288.297 3.174 20 30 CGEDMO N#Cc1c(F)cc(C[N@H+]2CCC[C@@H](C(F)F)C2)cc1F ZINC001140754045 804505846 /nfs/dbraw/zinc/50/58/46/804505846.db2.gz NKXRZBQAOATBAR-SNVBAGLBSA-N 1 1 286.272 3.314 20 30 CGEDMO N#Cc1c(F)cc(C[N@@H+]2CCC[C@@H](C(F)F)C2)cc1F ZINC001140754045 804505850 /nfs/dbraw/zinc/50/58/50/804505850.db2.gz NKXRZBQAOATBAR-SNVBAGLBSA-N 1 1 286.272 3.314 20 30 CGEDMO CCOCC1CC[NH+](Cc2cc(F)c(C#N)c(F)c2)CC1 ZINC001140755253 804505985 /nfs/dbraw/zinc/50/59/85/804505985.db2.gz WTEKEJHTWHGLKH-UHFFFAOYSA-N 1 1 294.345 3.085 20 30 CGEDMO CSC1CC[NH+](Cc2cc(F)c(C#N)c(F)c2)CC1 ZINC001140754406 804506210 /nfs/dbraw/zinc/50/62/10/804506210.db2.gz YMQONHRKFVSTRU-UHFFFAOYSA-N 1 1 282.359 3.164 20 30 CGEDMO COC(C)(C)[C@@H]1CCC[N@H+]1Cc1cc(F)c(C#N)c(F)c1 ZINC001140753371 804506242 /nfs/dbraw/zinc/50/62/42/804506242.db2.gz FRUQUEUZDOKZTE-HNNXBMFYSA-N 1 1 294.345 3.226 20 30 CGEDMO CCCCCC(CCCCC)[N@@H+]1CCN[C@H](C#N)C1 ZINC001246835303 804544191 /nfs/dbraw/zinc/54/41/91/804544191.db2.gz KGRIIADGZWLKOM-OAHLLOKOSA-N 1 1 265.445 3.313 20 30 CGEDMO CCCCCC(CCCCC)[N@H+]1CCN[C@H](C#N)C1 ZINC001246835303 804544194 /nfs/dbraw/zinc/54/41/94/804544194.db2.gz KGRIIADGZWLKOM-OAHLLOKOSA-N 1 1 265.445 3.313 20 30 CGEDMO C=CCN(Cc1ccccc1)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC001246838132 804546540 /nfs/dbraw/zinc/54/65/40/804546540.db2.gz BEDKJWIZWUVFEK-BCDXTJNWSA-N 1 1 270.420 3.348 20 30 CGEDMO C[N@@H+](CCOc1ccccc1)C1CCC(C#N)CC1 ZINC001256968153 807018727 /nfs/dbraw/zinc/01/87/27/807018727.db2.gz AZUUEWWCFVDBRI-UHFFFAOYSA-N 1 1 258.365 3.080 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cccc(-c3ncccn3)c2)C1 ZINC001140980054 804561553 /nfs/dbraw/zinc/56/15/53/804561553.db2.gz LCKYRGZYHPOKBI-HNNXBMFYSA-N 1 1 292.386 3.269 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@H]2COC[C@@H](C1)N2 ZINC001246855094 804563935 /nfs/dbraw/zinc/56/39/35/804563935.db2.gz SRERVDOEZSCEIC-BBWFWOEESA-N 1 1 282.472 3.188 20 30 CGEDMO N#CC1CCC([N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)CC1 ZINC001256971222 807021586 /nfs/dbraw/zinc/02/15/86/807021586.db2.gz MDNDFZHYAMUUOU-PUJMQQBBSA-N 1 1 288.366 3.361 20 30 CGEDMO CCC[N@@H+](CC)Cc1sc(N)c(C#N)c1Cl ZINC001141108631 804591941 /nfs/dbraw/zinc/59/19/41/804591941.db2.gz CKUJTQXRULWNJC-UHFFFAOYSA-N 1 1 257.790 3.087 20 30 CGEDMO C[C@@H]1CCCC[N@@H+](Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141107063 804590564 /nfs/dbraw/zinc/59/05/64/804590564.db2.gz OJZXZLJZXDURHD-SECBINFHSA-N 1 1 283.828 3.477 20 30 CGEDMO CC1CC([N@@H+](C)Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141107475 804591790 /nfs/dbraw/zinc/59/17/90/804591790.db2.gz XRTCZZPPEWLWOS-UHFFFAOYSA-N 1 1 269.801 3.086 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+](C)[C@@H]3CCCC[C@@H]3N)C[C@H](C1)C2 ZINC001246916335 804599135 /nfs/dbraw/zinc/59/91/35/804599135.db2.gz HOGYUMZIVCYERB-BFZKSOEOSA-N 1 1 262.441 3.323 20 30 CGEDMO CCCCCCCCNC(=S)N1CC[N@@H+](C)C(C)(C)C1 ZINC001247153619 804670663 /nfs/dbraw/zinc/67/06/63/804670663.db2.gz CYSIZEZAROQYKX-UHFFFAOYSA-N 1 1 299.528 3.247 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccc(C#N)c(SC)n1 ZINC001141943899 804682314 /nfs/dbraw/zinc/68/23/14/804682314.db2.gz ONRDBXMFHFBGPL-UHFFFAOYSA-N 1 1 275.421 3.463 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH3+])c1nc(-c2cc(Cl)ccc2Cl)no1 ZINC001247621457 804781067 /nfs/dbraw/zinc/78/10/67/804781067.db2.gz PEZIGMLAFDLQCY-FUXBKTLASA-N 1 1 296.157 3.403 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH3+])c1nc(-c2cccc3ccccc32)no1 ZINC001247621150 804781747 /nfs/dbraw/zinc/78/17/47/804781747.db2.gz IHCMGCOTDHHCCG-SJKOYZFVSA-N 1 1 277.327 3.250 20 30 CGEDMO CCO[C@@H]1CCC[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)C1 ZINC001142921440 804784321 /nfs/dbraw/zinc/78/43/21/804784321.db2.gz MXGVNXGHBBZBRG-OAHLLOKOSA-N 1 1 283.375 3.040 20 30 CGEDMO CC(C)O[C@@H]1CC[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)C1 ZINC001142922339 804785008 /nfs/dbraw/zinc/78/50/08/804785008.db2.gz CZRRPEWWBOZYQX-OAHLLOKOSA-N 1 1 283.375 3.039 20 30 CGEDMO C=CC[N@H+](C)Cc1nccnc1-c1ccc(Cl)cc1 ZINC001142976896 804792102 /nfs/dbraw/zinc/79/21/02/804792102.db2.gz NCNQEIFJOJNVSR-UHFFFAOYSA-N 1 1 273.767 3.415 20 30 CGEDMO COc1cc(C)cc(OC)c1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001143143489 804808402 /nfs/dbraw/zinc/80/84/02/804808402.db2.gz QWAPPFVMXZMUHJ-CQSZACIVSA-N 1 1 288.391 3.138 20 30 CGEDMO C#CC1CC[NH+](Cc2c(F)ccc(OC)c2Cl)CC1 ZINC001143372377 804840572 /nfs/dbraw/zinc/84/05/72/804840572.db2.gz FZASOOXCMRWQNE-UHFFFAOYSA-N 1 1 281.758 3.333 20 30 CGEDMO C=CC[C@H]([NH3+])c1nc(-c2ccc3occc3c2)no1 ZINC001247968225 804858701 /nfs/dbraw/zinc/85/87/01/804858701.db2.gz WOAREJNRWIRMJR-NSHDSACASA-N 1 1 255.277 3.059 20 30 CGEDMO COc1c(F)cccc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC001143537274 804864463 /nfs/dbraw/zinc/86/44/63/804864463.db2.gz USGCCOLUYXAMGM-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO COc1c(F)cccc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC001143537274 804864472 /nfs/dbraw/zinc/86/44/72/804864472.db2.gz USGCCOLUYXAMGM-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(F)cc(F)c1OC ZINC001143561496 804865401 /nfs/dbraw/zinc/86/54/01/804865401.db2.gz SWNHCOCQCAUSKL-UHFFFAOYSA-N 1 1 255.308 3.371 20 30 CGEDMO C#CC[N@@H+](C)Cc1cc(Cl)ccc1OC(F)(F)F ZINC001143704440 804885797 /nfs/dbraw/zinc/88/57/97/804885797.db2.gz FVEXGOGWJVDOHL-UHFFFAOYSA-N 1 1 277.673 3.304 20 30 CGEDMO C#CC[N@H+](C)Cc1cc(Cl)ccc1OC(F)(F)F ZINC001143704440 804885803 /nfs/dbraw/zinc/88/58/03/804885803.db2.gz FVEXGOGWJVDOHL-UHFFFAOYSA-N 1 1 277.673 3.304 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(OC)cc1OC(F)(F)F ZINC001144055660 804931983 /nfs/dbraw/zinc/93/19/83/804931983.db2.gz IDFCQTKXIYXFMP-UHFFFAOYSA-N 1 1 275.270 3.212 20 30 CGEDMO C#Cc1cccc(N(CC)C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)c1 ZINC001144135430 804941966 /nfs/dbraw/zinc/94/19/66/804941966.db2.gz RTRUVIGHIFEKJL-FUHWJXTLSA-N 1 1 296.414 3.038 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1[nH]nc2ccc(F)cc21 ZINC001144202528 804954633 /nfs/dbraw/zinc/95/46/33/804954633.db2.gz TVWSWVFBCOJJGG-UHFFFAOYSA-N 1 1 261.344 3.490 20 30 CGEDMO C=CCCCC[N@@H+](C)Cc1n[nH]c2ccc(F)cc21 ZINC001144202528 804954637 /nfs/dbraw/zinc/95/46/37/804954637.db2.gz TVWSWVFBCOJJGG-UHFFFAOYSA-N 1 1 261.344 3.490 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1n[nH]c2ccc(F)cc21 ZINC001144202528 804954642 /nfs/dbraw/zinc/95/46/42/804954642.db2.gz TVWSWVFBCOJJGG-UHFFFAOYSA-N 1 1 261.344 3.490 20 30 CGEDMO CCc1cc(C#N)ccc1CN1CC[C@@H]([N@@H+](C)C(C)C)C1 ZINC001248752324 804983855 /nfs/dbraw/zinc/98/38/55/804983855.db2.gz HRFUOUKNFBDKSA-GOSISDBHSA-N 1 1 285.435 3.035 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+](C)Cc1cncs1 ZINC001248752723 804984466 /nfs/dbraw/zinc/98/44/66/804984466.db2.gz XRBARYNMHYFDFK-UHFFFAOYSA-N 1 1 271.389 3.209 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@@H+](C)Cc1cncs1 ZINC001248752723 804984471 /nfs/dbraw/zinc/98/44/71/804984471.db2.gz XRBARYNMHYFDFK-UHFFFAOYSA-N 1 1 271.389 3.209 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2OC ZINC001248751049 804984864 /nfs/dbraw/zinc/98/48/64/804984864.db2.gz HJSPODNLNCKQJS-CEXWTWQISA-N 1 1 298.430 3.368 20 30 CGEDMO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CC#N)C2)c1 ZINC001144488111 804994404 /nfs/dbraw/zinc/99/44/04/804994404.db2.gz DIZCNSFUDYIALY-LBPRGKRZSA-N 1 1 278.783 3.474 20 30 CGEDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC001144488111 804994411 /nfs/dbraw/zinc/99/44/11/804994411.db2.gz DIZCNSFUDYIALY-LBPRGKRZSA-N 1 1 278.783 3.474 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2)C1 ZINC001144488405 804994686 /nfs/dbraw/zinc/99/46/86/804994686.db2.gz GVIWEUUWFWAFKN-LBPRGKRZSA-N 1 1 263.768 3.194 20 30 CGEDMO C#Cc1ccc(C[N@H+](CC)Cc2cccnc2)cc1 ZINC001144573610 805008273 /nfs/dbraw/zinc/00/82/73/805008273.db2.gz NQUXXTJBUOHDKA-UHFFFAOYSA-N 1 1 250.345 3.085 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC[C@@H](CC(=O)OCC)[C@H](C)C2)cc1 ZINC001144580496 805011906 /nfs/dbraw/zinc/01/19/06/805011906.db2.gz DQAMDZZTNQCMDC-QAPCUYQASA-N 1 1 299.414 3.079 20 30 CGEDMO CCCCCCC[N@H+]1CCC2(CN(C(=O)[C@H]3C[C@@H]3C)C2)C1 ZINC001146927387 805098669 /nfs/dbraw/zinc/09/86/69/805098669.db2.gz DLZHLKVIFRDJSV-HOTGVXAUSA-N 1 1 292.467 3.147 20 30 CGEDMO C=C(C)C[N@@H+]1CCC2(CN(C(=O)[C@H](CC)CCCC)C2)C1 ZINC001147034813 805103866 /nfs/dbraw/zinc/10/38/66/805103866.db2.gz RPANTLODQHFZNO-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)[C@@H](CC)CCCC)C2)C1 ZINC001147039969 805106470 /nfs/dbraw/zinc/10/64/70/805106470.db2.gz IRFSBMAYHVXTFM-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)C[C@@H](C)CC)C2)C1 ZINC001147435436 805129252 /nfs/dbraw/zinc/12/92/52/805129252.db2.gz QSOCZQCHNMBODK-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO CC[C@H](C)c1nn(C)cc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001249407272 805140873 /nfs/dbraw/zinc/14/08/73/805140873.db2.gz DWUHYVOXKUMIOE-UONOGXRCSA-N 1 1 274.412 3.059 20 30 CGEDMO C=C(C)CCC(=O)N1CC2(C1)CC[N@H+](CCCCCC)C2 ZINC001147647252 805142287 /nfs/dbraw/zinc/14/22/87/805142287.db2.gz OZDXPXGJDRJFSN-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO CCCO[C@H]1CC[N@@H+](Cc2cc3ccc(C#N)cc3[nH]2)C1 ZINC001249429231 805146243 /nfs/dbraw/zinc/14/62/43/805146243.db2.gz SPJAMFVFRJCXBH-INIZCTEOSA-N 1 1 283.375 3.040 20 30 CGEDMO N#Cc1ccc2cc(C[N@H+]3CCCC[C@H](F)C3)[nH]c2c1 ZINC001249427320 805146441 /nfs/dbraw/zinc/14/64/41/805146441.db2.gz YYWDVQSRMWUAJZ-AWEZNQCLSA-N 1 1 271.339 3.364 20 30 CGEDMO N#Cc1ccc2cc(C[N@@H+]3CCCC[C@H](F)C3)[nH]c2c1 ZINC001249427320 805146442 /nfs/dbraw/zinc/14/64/42/805146442.db2.gz YYWDVQSRMWUAJZ-AWEZNQCLSA-N 1 1 271.339 3.364 20 30 CGEDMO N#Cc1ccc2cc(C[N@H+]3CC[C@H]4OCCC[C@H]4C3)[nH]c2c1 ZINC001249426324 805146688 /nfs/dbraw/zinc/14/66/88/805146688.db2.gz MIRCUIIBOZQWMZ-MAUKXSAKSA-N 1 1 295.386 3.040 20 30 CGEDMO CCCO[C@@H]1CC[N@@H+](Cc2cc3ccc(C#N)cc3[nH]2)C1 ZINC001249429232 805147294 /nfs/dbraw/zinc/14/72/94/805147294.db2.gz SPJAMFVFRJCXBH-MRXNPFEDSA-N 1 1 283.375 3.040 20 30 CGEDMO C=CC[N@H+](C)Cc1cccc2cnc(SCC)n21 ZINC001249500368 805161546 /nfs/dbraw/zinc/16/15/46/805161546.db2.gz AJXVUEIUSAICCX-UHFFFAOYSA-N 1 1 261.394 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)[C@@H](CC)CCC)C2)C1 ZINC001148506721 805190861 /nfs/dbraw/zinc/19/08/61/805190861.db2.gz KTUITXKLQPWFEZ-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(CC)C(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC001150960498 805274478 /nfs/dbraw/zinc/27/44/78/805274478.db2.gz GFQDDCATOOIHSD-HZPDHXFCSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)CC1CCCC1 ZINC001151643950 805302172 /nfs/dbraw/zinc/30/21/72/805302172.db2.gz IPILPILGVZDHIU-CYBMUJFWSA-N 1 1 286.847 3.146 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)CC1CCCC1 ZINC001151643950 805302181 /nfs/dbraw/zinc/30/21/81/805302181.db2.gz IPILPILGVZDHIU-CYBMUJFWSA-N 1 1 286.847 3.146 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)C1CCCCC1 ZINC001151620884 805303599 /nfs/dbraw/zinc/30/35/99/805303599.db2.gz MVIUXZULAVMUBO-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)c1cccc(C)c1 ZINC001151685478 805306960 /nfs/dbraw/zinc/30/69/60/805306960.db2.gz VARMYQWMVFZHMJ-MRXNPFEDSA-N 1 1 288.435 3.401 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)CCCCC ZINC001151886585 805318974 /nfs/dbraw/zinc/31/89/74/805318974.db2.gz DUVMHVFCGBAVLI-OAHLLOKOSA-N 1 1 268.445 3.360 20 30 CGEDMO C=CCCC(=O)NC[C@@H](C)[N@@H+](CC)CC1CCCCC1 ZINC001152313785 805344053 /nfs/dbraw/zinc/34/40/53/805344053.db2.gz SDHGZUPHZPDWPA-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO CCCCCC[N@@H+](CC)[C@H](C)CNC(=O)C#CC(C)(C)C ZINC001153266648 805390211 /nfs/dbraw/zinc/39/02/11/805390211.db2.gz XWMLXCTWZQQVBZ-MRXNPFEDSA-N 1 1 294.483 3.443 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)C[C@H]1C=CCCC1 ZINC001153990439 805424977 /nfs/dbraw/zinc/42/49/77/805424977.db2.gz GDNNXIWLCHQYSK-CVEARBPZSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC12CC2 ZINC001154009144 805427120 /nfs/dbraw/zinc/42/71/20/805427120.db2.gz KZKLVIWRVOTWQH-KGLIPLIRSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC12CC2 ZINC001154009144 805427122 /nfs/dbraw/zinc/42/71/22/805427122.db2.gz KZKLVIWRVOTWQH-KGLIPLIRSA-N 1 1 298.858 3.146 20 30 CGEDMO C#CCC[N@H+](CC)[C@H](C)CNC(=O)C1(CC(C)C)CCC1 ZINC001154257660 805444753 /nfs/dbraw/zinc/44/47/53/805444753.db2.gz PPHGGILNUMKISI-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO COc1cc(Nc2ccccc2OCC#N)[nH+]cc1C ZINC001212599261 815082065 /nfs/dbraw/zinc/08/20/65/815082065.db2.gz KWXIVNBKFSYUCK-UHFFFAOYSA-N 1 1 269.304 3.045 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)CC/C=C\CC ZINC001154605279 805465839 /nfs/dbraw/zinc/46/58/39/805465839.db2.gz CEUMWOSRQOCRCG-JQPIKURYSA-N 1 1 280.456 3.382 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)CC(C)=C(C)C ZINC001154639945 805470313 /nfs/dbraw/zinc/47/03/13/805470313.db2.gz ZNEDBNXJNVOANH-OAHLLOKOSA-N 1 1 266.429 3.136 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)[N@H+](CC)CC(=C)Cl ZINC001154743315 805481949 /nfs/dbraw/zinc/48/19/49/805481949.db2.gz YRFXEXPIPASDRK-TZMCWYRMSA-N 1 1 286.847 3.168 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)[N@@H+](CC)CC(=C)Cl ZINC001154743315 805481955 /nfs/dbraw/zinc/48/19/55/805481955.db2.gz YRFXEXPIPASDRK-TZMCWYRMSA-N 1 1 286.847 3.168 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)C/C=C/Cl ZINC001154758162 805482396 /nfs/dbraw/zinc/48/23/96/805482396.db2.gz ZVFUMXCTXIXIGQ-VRZZLATASA-N 1 1 286.847 3.168 20 30 CGEDMO C=C1CCC(C(=O)NC[C@@H](C)[N@H+](CC)C[C@@H](F)CC)CC1 ZINC001155028141 805526143 /nfs/dbraw/zinc/52/61/43/805526143.db2.gz OSEMJKYAHXILTJ-ZBFHGGJFSA-N 1 1 298.446 3.308 20 30 CGEDMO C[N@H+]1CCC[C@H](CCNc2nc3ccccc3cc2C#N)C1 ZINC001165261520 806982344 /nfs/dbraw/zinc/98/23/44/806982344.db2.gz RDJDVVQHGAQVRD-CQSZACIVSA-N 1 1 294.402 3.250 20 30 CGEDMO Cc1nc(NCC[C@@H]2CCC[N@H+](C)C2)c(C#N)c(C)c1C ZINC001165273518 806983299 /nfs/dbraw/zinc/98/32/99/806983299.db2.gz RZTZRHLFABJIDX-HNNXBMFYSA-N 1 1 286.423 3.022 20 30 CGEDMO Cc1[nH+]c(NC[C@H]2CCC(F)(F)C2)ccc1CC#N ZINC001155172926 805549430 /nfs/dbraw/zinc/54/94/30/805549430.db2.gz DYKDSLKPDUSTOV-NSHDSACASA-N 1 1 265.307 3.303 20 30 CGEDMO C=CC[N@H+](C1CCC(CC(=O)OC)CC1)C(C)(C)C ZINC001256991315 807023952 /nfs/dbraw/zinc/02/39/52/807023952.db2.gz WZLONBOEXJNIOV-UHFFFAOYSA-N 1 1 267.413 3.395 20 30 CGEDMO N#Cc1ccc(C2CCC([N@@H+]3CCCC[C@H]3CO)CC2)cc1 ZINC001257015221 807027346 /nfs/dbraw/zinc/02/73/46/807027346.db2.gz GOJBQRXMGXBKOG-ACBHZAAOSA-N 1 1 298.430 3.431 20 30 CGEDMO C=CCOC(=O)N1CCC2(CCC[N@H+]([C@@H](C)CC)C2)CC1 ZINC001257437354 807156113 /nfs/dbraw/zinc/15/61/13/807156113.db2.gz HPZLVLHAPYFJIO-HNNXBMFYSA-N 1 1 294.439 3.286 20 30 CGEDMO C#CC[N@@H+](CCSc1ccncc1)C1CCCCC1 ZINC001167273943 807175062 /nfs/dbraw/zinc/17/50/62/807175062.db2.gz VTFULVGJEUIOPS-UHFFFAOYSA-N 1 1 274.433 3.442 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC001167433799 807193177 /nfs/dbraw/zinc/19/31/77/807193177.db2.gz MFQYGFSEQUAVDS-GOEBONIOSA-N 1 1 259.368 3.492 20 30 CGEDMO C=CCn1ccc2c1nc[nH+]c2N[C@@H](C)c1ccc(F)cn1 ZINC001167475880 807195197 /nfs/dbraw/zinc/19/51/97/807195197.db2.gz IDMQNPVLBYZJHJ-NSHDSACASA-N 1 1 297.337 3.325 20 30 CGEDMO COc1ccc(C[C@@H]2CC[N@H+]2CCCCC#N)cc1 ZINC001167634849 807221338 /nfs/dbraw/zinc/22/13/38/807221338.db2.gz JHILXHLOJIMDMV-HNNXBMFYSA-N 1 1 258.365 3.006 20 30 CGEDMO C=C(C)C(=O)NCCCNc1ccc2c(C)cc[nH+]c2c1 ZINC001167670072 807224703 /nfs/dbraw/zinc/22/47/03/807224703.db2.gz YTDRYYOIVNQYKI-UHFFFAOYSA-N 1 1 283.375 3.038 20 30 CGEDMO C#CCCCCCC[N@H+]1Cc2ccccc2C[C@H]1C(=O)OC ZINC001167717391 807232825 /nfs/dbraw/zinc/23/28/25/807232825.db2.gz PQMQXLNMVZRKKA-SFHVURJKSA-N 1 1 299.414 3.170 20 30 CGEDMO C#CCCCCCC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)OC ZINC001167717391 807232831 /nfs/dbraw/zinc/23/28/31/807232831.db2.gz PQMQXLNMVZRKKA-SFHVURJKSA-N 1 1 299.414 3.170 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CCC(=O)[C@@H](F)CC3)C[C@H](C1)C2 ZINC001257891610 807241503 /nfs/dbraw/zinc/24/15/03/807241503.db2.gz KPKZJVRLSCBELO-IXXDHKBRSA-N 1 1 265.372 3.124 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CCC[C@H]1C(=O)OC ZINC001258039865 807271081 /nfs/dbraw/zinc/27/10/81/807271081.db2.gz ZYXADZCHUDQQCS-KBPBESRZSA-N 1 1 255.402 3.373 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)C ZINC001258048324 807275732 /nfs/dbraw/zinc/27/57/32/807275732.db2.gz SYBOAUHGKQWJJN-MWDXBVQZSA-N 1 1 294.483 3.438 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1CCOC[C@H]1CCC(=O)OC ZINC001258052289 807278055 /nfs/dbraw/zinc/27/80/55/807278055.db2.gz NXWRKKWAOGSLPP-HZPDHXFCSA-N 1 1 299.455 3.389 20 30 CGEDMO C#CC(C)(C)NC1C[C@@H](C)[NH+](Cc2ccccc2)[C@H](C)C1 ZINC001168007420 807298982 /nfs/dbraw/zinc/29/89/82/807298982.db2.gz APQARNDJYRWSKO-HZPDHXFCSA-N 1 1 284.447 3.429 20 30 CGEDMO C#CC1([NH2+]C2C[C@H](C)N(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001168029574 807299860 /nfs/dbraw/zinc/29/98/60/807299860.db2.gz TUWMCYNSYJYXGN-HOTGVXAUSA-N 1 1 282.431 3.183 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC001258147150 807320339 /nfs/dbraw/zinc/32/03/39/807320339.db2.gz HIVXYPKHFGZQCT-GOSISDBHSA-N 1 1 296.458 3.039 20 30 CGEDMO C=CCOC(=O)N[C@H]1CCC[N@H+](C2CCCCCCC2)C1 ZINC001258240624 807384246 /nfs/dbraw/zinc/38/42/46/807384246.db2.gz ANBSDJZNMUYWLP-HNNXBMFYSA-N 1 1 294.439 3.476 20 30 CGEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+]([C@@H](C)CC1CC1)C2 ZINC001258461416 807464516 /nfs/dbraw/zinc/46/45/16/807464516.db2.gz PCJMAVYUMCCAKA-MAUKXSAKSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC2CC1(CNC(=O)OC(C)(C)C)C2 ZINC001258726710 807574444 /nfs/dbraw/zinc/57/44/44/807574444.db2.gz WBUSJAYAYFGSJL-TUBUQKNSSA-N 1 1 294.439 3.330 20 30 CGEDMO C=CCC[C@H](C)[N@H+](CC(=O)OCC)Cc1ccccc1 ZINC001258726546 807575010 /nfs/dbraw/zinc/57/50/10/807575010.db2.gz UPJQNCWGRFTGTQ-HNNXBMFYSA-N 1 1 275.392 3.406 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CC(=O)OCC)Cc1ccccc1 ZINC001258726546 807575015 /nfs/dbraw/zinc/57/50/15/807575015.db2.gz UPJQNCWGRFTGTQ-HNNXBMFYSA-N 1 1 275.392 3.406 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](c2nc(CC)no2)C1 ZINC001258732010 807577584 /nfs/dbraw/zinc/57/75/84/807577584.db2.gz HLVMXWBENIZZTF-CHWSQXEVSA-N 1 1 263.385 3.166 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCc2nc(Cl)ccc2C1 ZINC001258731648 807577593 /nfs/dbraw/zinc/57/75/93/807577593.db2.gz BPPYMHONXBGVJW-LLVKDONJSA-N 1 1 250.773 3.448 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC001258733229 807578860 /nfs/dbraw/zinc/57/88/60/807578860.db2.gz WOGLVWWVBIJLKZ-WBVHZDCISA-N 1 1 259.393 3.285 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1Cc2ccccc2[C@H](C(=O)OC)C1 ZINC001258733617 807579096 /nfs/dbraw/zinc/57/90/96/807579096.db2.gz KAXJVVDBKGMVAK-XJKSGUPXSA-N 1 1 273.376 3.114 20 30 CGEDMO C=CCC[C@H](C)[N@H+](CCC)C1CCN(C(C)=O)CC1 ZINC001258733264 807579674 /nfs/dbraw/zinc/57/96/74/807579674.db2.gz YFEHQBGHYTXZEK-AWEZNQCLSA-N 1 1 266.429 3.064 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](Oc2cccnc2)C1 ZINC001258734760 807580492 /nfs/dbraw/zinc/58/04/92/807580492.db2.gz ISIWZVBHVKMADI-HOCLYGCPSA-N 1 1 260.381 3.280 20 30 CGEDMO C=CCC[C@@H](C)[NH+]1CCC(N2CCC(F)CC2)CC1 ZINC001258735177 807580614 /nfs/dbraw/zinc/58/06/14/807580614.db2.gz QMHMUUNASYZEIB-CQSZACIVSA-N 1 1 268.420 3.239 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCC(=O)c1cccnc1 ZINC001258735185 807580714 /nfs/dbraw/zinc/58/07/14/807580714.db2.gz QRLMWNJPNCNKKJ-CQSZACIVSA-N 1 1 260.381 3.331 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001258734609 807580900 /nfs/dbraw/zinc/58/09/00/807580900.db2.gz GQVKJMFUAVNQMY-KBPBESRZSA-N 1 1 282.428 3.282 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH2+][C@H](CCC)CCCC)C(=O)OCC ZINC001258757186 807596164 /nfs/dbraw/zinc/59/61/64/807596164.db2.gz KAYXBUDRQVNJOS-IIAWOOMASA-N 1 1 267.413 3.443 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC001261436117 807745433 /nfs/dbraw/zinc/74/54/33/807745433.db2.gz QHSGQMAOCNAKHE-CYBMUJFWSA-N 1 1 296.399 3.343 20 30 CGEDMO C#CC[N@@H+](Cc1coc(-c2cccc(OC)c2)n1)CC1CC1 ZINC001262013748 807807775 /nfs/dbraw/zinc/80/77/75/807807775.db2.gz LDYSHNFVXSHEKT-UHFFFAOYSA-N 1 1 296.370 3.195 20 30 CGEDMO C#CC[N@H+](Cc1coc(-c2cccc(OC)c2)n1)CC1CC1 ZINC001262013748 807807782 /nfs/dbraw/zinc/80/77/82/807807782.db2.gz LDYSHNFVXSHEKT-UHFFFAOYSA-N 1 1 296.370 3.195 20 30 CGEDMO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CC2(F)F)CC1 ZINC001170360250 807829546 /nfs/dbraw/zinc/82/95/46/807829546.db2.gz URBINRVPVFHYBK-SHARSMKWSA-N 1 1 276.330 3.388 20 30 CGEDMO N#CC1(c2ccccc2)CCC([NH+]2CCC(=O)CC2)CC1 ZINC001170379177 807833278 /nfs/dbraw/zinc/83/32/78/807833278.db2.gz SEJHUKOEJWROCT-UHFFFAOYSA-N 1 1 282.387 3.055 20 30 CGEDMO C[N@@H+](CC1(C)COC1)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170388697 807833791 /nfs/dbraw/zinc/83/37/91/807833791.db2.gz AADUXJAPLYPOME-UHFFFAOYSA-N 1 1 298.430 3.359 20 30 CGEDMO CO[C@H]1CCC[C@@H]2C[N@H+]([C@H](C)Cc3cccc(C#N)c3)C[C@@H]21 ZINC001171218643 808010338 /nfs/dbraw/zinc/01/03/38/808010338.db2.gz VVBCJTRYDAUSNM-OAOYMFHYSA-N 1 1 298.430 3.236 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C2(C3CC3)CC2)[C@H]1CC ZINC001264055839 808030776 /nfs/dbraw/zinc/03/07/76/808030776.db2.gz QDRGMAVMHSEDDR-JKSUJKDBSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)/C(C)=C/CC)C[C@@H]2C1 ZINC001264084768 808034375 /nfs/dbraw/zinc/03/43/75/808034375.db2.gz VWWFUIJTFGPSKY-HHHZRULFSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)C2CC2)[C@H]1CC ZINC001264071749 808034528 /nfs/dbraw/zinc/03/45/28/808034528.db2.gz MSDYMHABWREHSJ-HYVNUMGLSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCOc1ccccc1[C@@H](C)Nc1nc(N(C)C)cc[nH+]1 ZINC001171370519 808038480 /nfs/dbraw/zinc/03/84/80/808038480.db2.gz WPSKRJZFTNIHDV-CYBMUJFWSA-N 1 1 298.390 3.281 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171379817 808041401 /nfs/dbraw/zinc/04/14/01/808041401.db2.gz HGJNOOIAXCPSOO-CQSZACIVSA-N 1 1 278.346 3.448 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)CC(C)C)[C@H]1C ZINC001264168012 808042622 /nfs/dbraw/zinc/04/26/22/808042622.db2.gz JLZYPMJNHCLYHT-XHSDSOJGSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C=C1CCC1 ZINC001264181022 808043792 /nfs/dbraw/zinc/04/37/92/808043792.db2.gz YSWSTWSCXXJMMT-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@@H+](CC2CCC2)CC(C)(C)C1 ZINC001264192625 808046144 /nfs/dbraw/zinc/04/61/44/808046144.db2.gz CCMZNYRVRWVLPQ-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCCC(C)C ZINC001264374723 808064096 /nfs/dbraw/zinc/06/40/96/808064096.db2.gz NCGVODVQOPPOBZ-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001171522891 808085848 /nfs/dbraw/zinc/08/58/48/808085848.db2.gz MJBNUTSZFULHHN-JQWIXIFHSA-N 1 1 273.804 3.039 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC001171522891 808085856 /nfs/dbraw/zinc/08/58/56/808085856.db2.gz MJBNUTSZFULHHN-JQWIXIFHSA-N 1 1 273.804 3.039 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C=C)CC)[C@H]1CC ZINC001264615757 808081484 /nfs/dbraw/zinc/08/14/84/808081484.db2.gz DQWJCICFLPYSKD-HRCADAONSA-N 1 1 278.440 3.134 20 30 CGEDMO C#C[C@H]1CCC[N@H+](CCOc2ccc(F)c(Cl)c2)C1 ZINC001171573905 808102740 /nfs/dbraw/zinc/10/27/40/808102740.db2.gz WGBFTWSXAQMEJC-LBPRGKRZSA-N 1 1 281.758 3.203 20 30 CGEDMO C#C[C@](C)(CC)NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171623458 808106414 /nfs/dbraw/zinc/10/64/14/808106414.db2.gz ZVBDVNBALBHSJX-MRXNPFEDSA-N 1 1 250.430 3.029 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCNC(=O)c1sccc1CC ZINC001265073052 808107426 /nfs/dbraw/zinc/10/74/26/808107426.db2.gz OGJGNANZOSGEBS-UHFFFAOYSA-N 1 1 294.464 3.328 20 30 CGEDMO C=CCC[N@@H+](CC)CCCNC(=O)c1cc(F)ccc1C ZINC001265126808 808111465 /nfs/dbraw/zinc/11/14/65/808111465.db2.gz YKAIGZVOWNPQPO-UHFFFAOYSA-N 1 1 292.398 3.152 20 30 CGEDMO C=C[C@H](CC)CC(=O)N(C)C1CC[NH+](CC(=C)Cl)CC1 ZINC001265195764 808118065 /nfs/dbraw/zinc/11/80/65/808118065.db2.gz LNOBPJZNDBQCIV-CQSZACIVSA-N 1 1 298.858 3.264 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](CCC)CC(C)C)C1 ZINC001265235088 808122390 /nfs/dbraw/zinc/12/23/90/808122390.db2.gz IFCDBQWDLSMKEF-IAGOWNOFSA-N 1 1 292.467 3.053 20 30 CGEDMO C/C=C(/C)C(=O)N[C@@H]1CC[N@H+](CCCCCCC)C1 ZINC001265278432 808125647 /nfs/dbraw/zinc/12/56/47/808125647.db2.gz FVLZJBZFDDLZNG-NUKWSGDCSA-N 1 1 266.429 3.114 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)c2occc2C)C1 ZINC001265271233 808125687 /nfs/dbraw/zinc/12/56/87/808125687.db2.gz UVLIVLUFKHADAN-OAHLLOKOSA-N 1 1 290.407 3.139 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@H](OC(C)C)C1 ZINC001171742143 808128412 /nfs/dbraw/zinc/12/84/12/808128412.db2.gz WSLUMNNIELALAZ-INIZCTEOSA-N 1 1 251.414 3.460 20 30 CGEDMO C[C@H]1C[C@@H](N2CCC(CC#N)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171760822 808132331 /nfs/dbraw/zinc/13/23/31/808132331.db2.gz ALYLAOXRYKJQKR-QFBILLFUSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@H]1C[C@@H](N2CCC(CC#N)CC2)C[N@H+]1Cc1ccccc1 ZINC001171760822 808132333 /nfs/dbraw/zinc/13/23/33/808132333.db2.gz ALYLAOXRYKJQKR-QFBILLFUSA-N 1 1 297.446 3.275 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](F)C(C)C)C1 ZINC001265393444 808138608 /nfs/dbraw/zinc/13/86/08/808138608.db2.gz YPHUOHPBHCITHK-JKSUJKDBSA-N 1 1 298.446 3.117 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@@H+]([C@H]1Cc3cccc(F)c3C1)CC2 ZINC001171793938 808141646 /nfs/dbraw/zinc/14/16/46/808141646.db2.gz NZOWMAGEKYEMGM-KRWDZBQOSA-N 1 1 292.357 3.223 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H](CNC(=O)CCC2CCC2)C1 ZINC001265579517 808157399 /nfs/dbraw/zinc/15/73/99/808157399.db2.gz GVYCZMLTPSEEFP-KRWDZBQOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)C(CC)CC)C1 ZINC001265586977 808158329 /nfs/dbraw/zinc/15/83/29/808158329.db2.gz SLEOJWKAHOHWGA-JKSUJKDBSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@H]1CCC[N@H+](CC(=C)Cl)C1 ZINC001265588986 808158664 /nfs/dbraw/zinc/15/86/64/808158664.db2.gz LHUYGXWZDNKWIC-LSDHHAIUSA-N 1 1 298.858 3.169 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@H]1CCC[N@@H+](CC(=C)Cl)C1 ZINC001265588986 808158671 /nfs/dbraw/zinc/15/86/71/808158671.db2.gz LHUYGXWZDNKWIC-LSDHHAIUSA-N 1 1 298.858 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)C2CCCC2)C1 ZINC001265595343 808159035 /nfs/dbraw/zinc/15/90/35/808159035.db2.gz XGBANBAIEKZRAV-HOTGVXAUSA-N 1 1 292.467 3.217 20 30 CGEDMO CCOC(=O)C1(C)CCC([N@H+]2CCC[C@H](C#N)CC2)CC1 ZINC001171956093 808159315 /nfs/dbraw/zinc/15/93/15/808159315.db2.gz LMQTVCAPFRPPQX-UQPPLGOBSA-N 1 1 292.423 3.124 20 30 CGEDMO CC1(C)C[C@@H](N2CC(CC#N)C2)CC[N@H+]1Cc1ccccc1 ZINC001171976884 808163984 /nfs/dbraw/zinc/16/39/84/808163984.db2.gz OFVQOMUTQONIKC-SFHVURJKSA-N 1 1 297.446 3.275 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC1(C)C ZINC001265652406 808164133 /nfs/dbraw/zinc/16/41/33/808164133.db2.gz VIRYDGRYKNYUOY-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCCCCC[N@@H+](CC)[C@@H]1CCN(CC)C(=O)C1 ZINC001172043424 808169158 /nfs/dbraw/zinc/16/91/58/808169158.db2.gz NVJILMCWPNYRGQ-OAHLLOKOSA-N 1 1 268.445 3.290 20 30 CGEDMO C#C[C@H](C)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077287 808170289 /nfs/dbraw/zinc/17/02/89/808170289.db2.gz QSXNXBWNSYATCN-KANFNMMFSA-N 1 1 282.431 3.183 20 30 CGEDMO C#C[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172077287 808170294 /nfs/dbraw/zinc/17/02/94/808170294.db2.gz QSXNXBWNSYATCN-KANFNMMFSA-N 1 1 282.431 3.183 20 30 CGEDMO N#CCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172074057 808170531 /nfs/dbraw/zinc/17/05/31/808170531.db2.gz TVWBDBSUMJHMAP-REPLKXPHSA-N 1 1 297.446 3.465 20 30 CGEDMO C=C(C)C[N@@H+](C)CCCNC(=O)c1csc(Cl)c1 ZINC001265933520 808194365 /nfs/dbraw/zinc/19/43/65/808194365.db2.gz MRZGGZNSJSBNOQ-UHFFFAOYSA-N 1 1 286.828 3.029 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)C[C@@H]1C=CCCC1 ZINC001266054453 808207077 /nfs/dbraw/zinc/20/70/77/808207077.db2.gz RZAIGXDPEYVUJE-MRXNPFEDSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)CC2CC2)C1 ZINC001266087738 808209488 /nfs/dbraw/zinc/20/94/88/808209488.db2.gz AORDRWGHVOVXQF-HOCLYGCPSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C[C@@H]([NH2+]C1CCN(CCCOC)CC1)c1ccccc1 ZINC001172248727 808209931 /nfs/dbraw/zinc/20/99/31/808209931.db2.gz FATWTOOPPBSIAC-GOSISDBHSA-N 1 1 288.435 3.004 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[C@H]([N@@H+](C)CCC2CC2)C1 ZINC001266108402 808212773 /nfs/dbraw/zinc/21/27/73/808212773.db2.gz WEKPURYORFBINF-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO CC(C)C#CC(=O)NCCC[N@H+](CCCC(C)C)C1CC1 ZINC001266135780 808217728 /nfs/dbraw/zinc/21/77/28/808217728.db2.gz XMLYIASZLKGXHK-UHFFFAOYSA-N 1 1 292.467 3.053 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCCC1(F)F ZINC001172297576 808219644 /nfs/dbraw/zinc/21/96/44/808219644.db2.gz QBYWYYARADCTQK-RISCZKNCSA-N 1 1 264.319 3.267 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)N1CCC([NH3+])(CC2CC2)CC1 ZINC001172298750 808219801 /nfs/dbraw/zinc/21/98/01/808219801.db2.gz FRGLMCPDLCICAP-HNNXBMFYSA-N 1 1 297.446 3.083 20 30 CGEDMO CCC[N@H+](CCCN(C)C)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172312758 808224648 /nfs/dbraw/zinc/22/46/48/808224648.db2.gz JAKZITFOAZRRBX-INIZCTEOSA-N 1 1 287.451 3.153 20 30 CGEDMO CCC[N@@H+](CCCN(C)C)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172312758 808224653 /nfs/dbraw/zinc/22/46/53/808224653.db2.gz JAKZITFOAZRRBX-INIZCTEOSA-N 1 1 287.451 3.153 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](CCCC2CCC2)C1 ZINC001266233519 808230664 /nfs/dbraw/zinc/23/06/64/808230664.db2.gz MABZZQGMXSDTPE-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)[C@H](C)CC)C1 ZINC001266301986 808237692 /nfs/dbraw/zinc/23/76/92/808237692.db2.gz GZXWAMIGBSGXJO-CABCVRRESA-N 1 1 268.445 3.193 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCNC(=O)C1(C2CCCCC2)CC1 ZINC001266354522 808247772 /nfs/dbraw/zinc/24/77/72/808247772.db2.gz BQTKSEANRIAOKF-UHFFFAOYSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)C(C)(C)C(C)(F)F ZINC001266354502 808248504 /nfs/dbraw/zinc/24/85/04/808248504.db2.gz AVRGCBDMRITASM-GFCCVEGCSA-N 1 1 290.398 3.071 20 30 CGEDMO C#CC[N@H+]1CC[C@@H](NC(=O)[C@@](C)(CC)CCCCCC)C1 ZINC001266359509 808248630 /nfs/dbraw/zinc/24/86/30/808248630.db2.gz XNHKZUDNWLIIJM-AEFFLSMTSA-N 1 1 292.467 3.197 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@](C)(CC)CCCCCC)C1 ZINC001266359509 808248636 /nfs/dbraw/zinc/24/86/36/808248636.db2.gz XNHKZUDNWLIIJM-AEFFLSMTSA-N 1 1 292.467 3.197 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC001172355597 808250985 /nfs/dbraw/zinc/25/09/85/808250985.db2.gz OZTDKQJSIWNMDT-CABCVRRESA-N 1 1 268.445 3.323 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CCCC[C@H]1C(N)=O ZINC001172355455 808251284 /nfs/dbraw/zinc/25/12/84/808251284.db2.gz OUAXWKRWSGEFGS-CABCVRRESA-N 1 1 268.445 3.465 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@](C)(CO)[C@H](O)C1 ZINC001172357917 808252404 /nfs/dbraw/zinc/25/24/04/808252404.db2.gz MZEQDTGBVWUXCA-GVDBMIGSSA-N 1 1 285.472 3.191 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)C1(C)CCCCCC1 ZINC001266394382 808256318 /nfs/dbraw/zinc/25/63/18/808256318.db2.gz OGNZHCCPJHFTCS-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C ZINC001266400305 808257827 /nfs/dbraw/zinc/25/78/27/808257827.db2.gz HIFCOEHVMZXNBV-CVEARBPZSA-N 1 1 292.467 3.239 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)c2ccoc2)C1 ZINC001266447835 808266150 /nfs/dbraw/zinc/26/61/50/808266150.db2.gz ATYNGWXPZJKSHW-HNNXBMFYSA-N 1 1 290.407 3.030 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)CC2CC2)C1 ZINC001266448545 808266676 /nfs/dbraw/zinc/26/66/76/808266676.db2.gz PXPGCWDQICCDNC-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+]1CC(CC)CC ZINC001266477341 808272390 /nfs/dbraw/zinc/27/23/90/808272390.db2.gz NXUHLMWERIXAPS-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H]2CCC[N@@H+]2CC(CC)CC)C1 ZINC001266483130 808274313 /nfs/dbraw/zinc/27/43/13/808274313.db2.gz ORUDDZTZTQHXJG-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](F)C(C)C ZINC001266491193 808276115 /nfs/dbraw/zinc/27/61/15/808276115.db2.gz GVXWIDKJSZYRPY-CAOSSQGBSA-N 1 1 296.430 3.010 20 30 CGEDMO C#CCCCCC(=O)NC[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001266509260 808279738 /nfs/dbraw/zinc/27/97/38/808279738.db2.gz NGJOFLKCVUYXDS-MRXNPFEDSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]2C[N@@H+](CC3CC3)CC[C@H]21 ZINC001266659907 808302704 /nfs/dbraw/zinc/30/27/04/808302704.db2.gz RZWXYNUANZDYCP-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC(C)C)C1 ZINC001266656586 808303010 /nfs/dbraw/zinc/30/30/10/808303010.db2.gz YGTGWIIDLRJUBA-SJORKVTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]2C[N@@H+](CC3CC3)CC[C@@H]21 ZINC001266659909 808303159 /nfs/dbraw/zinc/30/31/59/808303159.db2.gz RZWXYNUANZDYCP-IRXDYDNUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@H]1CCC[N@H+](CC[C@@H](C)F)C1 ZINC001266764266 808314595 /nfs/dbraw/zinc/31/45/95/808314595.db2.gz NUIIWCFDBZFRKS-HUUCEWRRSA-N 1 1 298.446 3.165 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)CC1(C)CCCC1 ZINC001266839528 808322529 /nfs/dbraw/zinc/32/25/29/808322529.db2.gz CLKXAMWKTWQTKM-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H]1CCCC[N@@H+]1CC=C(C)C ZINC001266848946 808323923 /nfs/dbraw/zinc/32/39/23/808323923.db2.gz JAVWCAFEFGTEAZ-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)CC=C)C1 ZINC001266895723 808333665 /nfs/dbraw/zinc/33/36/65/808333665.db2.gz SALLOCYRUZZYAM-HZPDHXFCSA-N 1 1 292.467 3.382 20 30 CGEDMO C[C@H](CCCC#N)[N@@H+](C)Cc1ccc(F)cc1F ZINC001172497883 808354593 /nfs/dbraw/zinc/35/45/93/808354593.db2.gz HFKMHCXKGMQVQJ-LLVKDONJSA-N 1 1 252.308 3.479 20 30 CGEDMO COc1ccccc1CC[N@@H+](C)[C@@H](C)CCCC#N ZINC001172499294 808356219 /nfs/dbraw/zinc/35/62/19/808356219.db2.gz CPHHMVNZIDXNDW-AWEZNQCLSA-N 1 1 260.381 3.252 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)/C(C)=C/C)C1 ZINC001267102227 808357285 /nfs/dbraw/zinc/35/72/85/808357285.db2.gz DKVUSCHOAXAEPZ-DMNRVOQQSA-N 1 1 278.440 3.230 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@H]([N@@H+](C)CC2CCC2)C1 ZINC001267103716 808358016 /nfs/dbraw/zinc/35/80/16/808358016.db2.gz DWPZEHGPRPVUFT-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO CCCc1noc([C@@H]2CCC[N@H+]([C@H](C)CCCC#N)C2)n1 ZINC001172503281 808358267 /nfs/dbraw/zinc/35/82/67/808358267.db2.gz YLGYCEOIUNICGZ-ZIAGYGMSSA-N 1 1 290.411 3.284 20 30 CGEDMO COc1cccc(CC[N@@H+](C)[C@@H](C)CCCC#N)c1 ZINC001172502805 808358575 /nfs/dbraw/zinc/35/85/75/808358575.db2.gz XCIYEEWVZWIHMN-AWEZNQCLSA-N 1 1 260.381 3.252 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)CCCCCC)C1 ZINC001267114613 808360918 /nfs/dbraw/zinc/36/09/18/808360918.db2.gz JGBCOYYLDPYTTA-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO C[C@@H](CCCC#N)[N@@H+](C)C[C@@H]1Cc2ccccc2O1 ZINC001172506199 808361830 /nfs/dbraw/zinc/36/18/30/808361830.db2.gz PVFQLIDZBKNBOL-ZFWWWQNUSA-N 1 1 258.365 3.004 20 30 CGEDMO C[C@H](CCCC#N)[N@@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001172506801 808362806 /nfs/dbraw/zinc/36/28/06/808362806.db2.gz JSINNCNVVGTGTQ-IAGOWNOFSA-N 1 1 277.456 3.409 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001172506801 808362814 /nfs/dbraw/zinc/36/28/14/808362814.db2.gz JSINNCNVVGTGTQ-IAGOWNOFSA-N 1 1 277.456 3.409 20 30 CGEDMO C=C(C)C[N@@H+](C)CCNC(=O)CCCc1ccc(C)s1 ZINC001267235103 808391417 /nfs/dbraw/zinc/39/14/17/808391417.db2.gz UUVAABLZOHZMNT-UHFFFAOYSA-N 1 1 294.464 3.003 20 30 CGEDMO CC(C)[N@@H+](CCCNC(=O)C#CC(C)(C)C)CCC1CC1 ZINC001267257754 808398573 /nfs/dbraw/zinc/39/85/73/808398573.db2.gz SNMSXLBTWNXQFO-UHFFFAOYSA-N 1 1 292.467 3.053 20 30 CGEDMO CCC(CC)C[N@H+]1CCC[C@@H]1CNC(=O)C#CC(C)(C)C ZINC001267268055 808400785 /nfs/dbraw/zinc/40/07/85/808400785.db2.gz VOOJBISIBCPIPZ-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C[C@H](CC)CC(=O)N(CCC)[C@@H]1CC[N@@H+](CCC)C1 ZINC001267473794 808430488 /nfs/dbraw/zinc/43/04/88/808430488.db2.gz FGWJUQLJWUKSOS-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)C[C@@H](C)CC(C)C)C1 ZINC001267488779 808432237 /nfs/dbraw/zinc/43/22/37/808432237.db2.gz PHUPDYKYRDMXTD-IRXDYDNUSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](N(CCC)C(=O)CC)C1 ZINC001267538749 808442296 /nfs/dbraw/zinc/44/22/96/808442296.db2.gz KIHPOQSXZWIFRL-CABCVRRESA-N 1 1 266.429 3.064 20 30 CGEDMO C=CC(C)(C)C(=O)NCC[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001267561696 808447562 /nfs/dbraw/zinc/44/75/62/808447562.db2.gz QIANMICAOGLMSS-HNNXBMFYSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)[C@H](CCC)C(C)C)C1 ZINC001267575055 808450231 /nfs/dbraw/zinc/45/02/31/808450231.db2.gz AZNRUDMZPQHWKV-DLBZAZTESA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)/C=C/C(C)(C)C)C1 ZINC001267580508 808452046 /nfs/dbraw/zinc/45/20/46/808452046.db2.gz XUHOTDJJIJINPZ-IZPAUZPXSA-N 1 1 298.858 3.122 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)C2(CC)CC2)C1 ZINC001267588709 808452926 /nfs/dbraw/zinc/45/29/26/808452926.db2.gz IMCKXRKDMZHCMP-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+](C)CC1CCN(C(=O)C[C@@H]2C=CCC2)CC1 ZINC001267597463 808454659 /nfs/dbraw/zinc/45/46/59/808454659.db2.gz ARPAOPPLTYFKNX-MRXNPFEDSA-N 1 1 290.451 3.089 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](CCCC)C(C)C)C1 ZINC001267622097 808460623 /nfs/dbraw/zinc/46/06/23/808460623.db2.gz MEZIQESKWAFSTO-SJORKVTESA-N 1 1 292.467 3.053 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CCCC)C(C)C)C1 ZINC001267622097 808460627 /nfs/dbraw/zinc/46/06/27/808460627.db2.gz MEZIQESKWAFSTO-SJORKVTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC(=O)N1CC[C@@H](C[N@H+](C)C[C@@H](C)CC(C)C)C1 ZINC001267633261 808461982 /nfs/dbraw/zinc/46/19/82/808461982.db2.gz WBLQJYUMXKWTGN-IRXDYDNUSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCCC[NH+]1CC(NC(=O)c2cc(C)cc(Cl)c2)C1 ZINC001267652370 808465770 /nfs/dbraw/zinc/46/57/70/808465770.db2.gz QLXHMKGTDCTBLB-UHFFFAOYSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H](C[N@H+](C)C[C@H](F)CC)C1 ZINC001267669483 808468156 /nfs/dbraw/zinc/46/81/56/808468156.db2.gz FRQRQUYGHZYYQK-LSDHHAIUSA-N 1 1 298.446 3.117 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[C@@H](C[N@@H+](C)CC=C(C)C)C1 ZINC001267684978 808471053 /nfs/dbraw/zinc/47/10/53/808471053.db2.gz VRWVYTAXRTXZMK-FUHWJXTLSA-N 1 1 292.467 3.335 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H](C[N@H+](C)C[C@H](C)CC)C1 ZINC001267683583 808471143 /nfs/dbraw/zinc/47/11/43/808471143.db2.gz LIGLJSPCXYPCAY-HZPDHXFCSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)CCCCCC ZINC001267712612 808474415 /nfs/dbraw/zinc/47/44/15/808474415.db2.gz CPFVDSOBODAZIP-IKGGRYGDSA-N 1 1 292.467 3.454 20 30 CGEDMO CC#CCCCC(=O)N1CCC(C[N@@H+](C)CC(C)C)CC1 ZINC001267739617 808480867 /nfs/dbraw/zinc/48/08/67/808480867.db2.gz HIIDOWNZQYNFDI-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CC[N@H+](C)CC1CCN(C(=O)C2(C)CCCCC2)CC1 ZINC001267746328 808482719 /nfs/dbraw/zinc/48/27/19/808482719.db2.gz VDNNCSGNKTWRAG-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)C(C)(CC)CC)C1 ZINC001267754722 808484241 /nfs/dbraw/zinc/48/42/41/808484241.db2.gz UFBODWRBMRCJIV-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)CCCC[C@H](C)CC)C1 ZINC001267764336 808486662 /nfs/dbraw/zinc/48/66/62/808486662.db2.gz SRWFFQSZIFGQOB-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC1(C(=O)N(C)[C@@H]2CC[N@H+](C[C@@H](C)CC)C2)CCC1 ZINC001267771434 808488732 /nfs/dbraw/zinc/48/87/32/808488732.db2.gz GLCFHQJIEMYESK-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)C2CCCC2)C1 ZINC001267778682 808489945 /nfs/dbraw/zinc/48/99/45/808489945.db2.gz FUNSRWRROJWADM-DOTOQJQBSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](N(CC)C(=O)C(C)(C)F)C1 ZINC001267780371 808490676 /nfs/dbraw/zinc/49/06/76/808490676.db2.gz MWKSUCOPAOHXHS-KGLIPLIRSA-N 1 1 284.419 3.012 20 30 CGEDMO C=CCCCC(=O)N(CC)[C@@H]1CC[N@H+](C[C@H](C)CC)C1 ZINC001267788684 808492661 /nfs/dbraw/zinc/49/26/61/808492661.db2.gz CGXDWHNNGQUBQL-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC2(C1)CCN(C(=O)CC(C)=C(C)C)CC2 ZINC001267974295 808523000 /nfs/dbraw/zinc/52/30/00/808523000.db2.gz SOPZJUFNXQHSFD-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)C=C(C)C)C1 ZINC001268158764 808551370 /nfs/dbraw/zinc/55/13/70/808551370.db2.gz XWTYLOUKXDZFLY-INIZCTEOSA-N 1 1 278.440 3.280 20 30 CGEDMO CCc1ccc(C[C@@H](C)[N@H+]2CC[C@](C)(C#N)C2)cc1 ZINC001173246067 808553445 /nfs/dbraw/zinc/55/34/45/808553445.db2.gz KEBOAXNMOKMXAN-RHSMWYFYSA-N 1 1 256.393 3.416 20 30 CGEDMO C=CC(C)(C)CC(=O)N(C)CC[N@@H+](C)Cc1ccccc1 ZINC001268239137 808566874 /nfs/dbraw/zinc/56/68/74/808566874.db2.gz LAUGVGFOVSPIED-UHFFFAOYSA-N 1 1 288.435 3.179 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CC(=C)Cl)C1 ZINC001268261119 808571378 /nfs/dbraw/zinc/57/13/78/808571378.db2.gz BLWYLPPUXSTCEJ-LSDHHAIUSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CC(=C)Cl)C1 ZINC001268261113 808571784 /nfs/dbraw/zinc/57/17/84/808571784.db2.gz BLWYLPPUXSTCEJ-CABCVRRESA-N 1 1 296.842 3.018 20 30 CGEDMO C=CCOC1CCC([N@H+]2CC[C@@H](OCCC)C2)CC1 ZINC001173321239 808611047 /nfs/dbraw/zinc/61/10/47/808611047.db2.gz YYBXADINTAVZLD-UYSNPLJNSA-N 1 1 267.413 3.001 20 30 CGEDMO C=CCOC1CCC(N2CC[NH+](CCCCC)CC2)CC1 ZINC001173327854 808613905 /nfs/dbraw/zinc/61/39/05/808613905.db2.gz UOQRKQRFTFVYRS-UHFFFAOYSA-N 1 1 294.483 3.308 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)C1C(C)(C)C1(C)C ZINC001268725251 808616435 /nfs/dbraw/zinc/61/64/35/808616435.db2.gz RBCGCRNHKUWRAA-CYBMUJFWSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)CC1(C)CCCC1 ZINC001268728155 808617980 /nfs/dbraw/zinc/61/79/80/808617980.db2.gz AVKPTAKSXVFQQF-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO CCN(CC)CC[N@@H+](CC)C1CCC(CC#N)CC1 ZINC001173338697 808618289 /nfs/dbraw/zinc/61/82/89/808618289.db2.gz HGUMXVOXVKYGMD-UHFFFAOYSA-N 1 1 265.445 3.123 20 30 CGEDMO N#CCC1CCC([N@H+]2CCC[C@@H](C(F)F)C2)CC1 ZINC001173338656 808618665 /nfs/dbraw/zinc/61/86/65/808618665.db2.gz GJWRLWUCHUTUBL-OTTFEQOBSA-N 1 1 256.340 3.436 20 30 CGEDMO CCCCOC(=O)[C@@H]1CC[N@H+](C2CCC(CC#N)CC2)C1 ZINC001173339245 808619996 /nfs/dbraw/zinc/61/99/96/808619996.db2.gz DSZSDQZGDYDRJT-HWOWSKLDSA-N 1 1 292.423 3.124 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C/C=C\c2ccc(C)cc2)C1 ZINC001269101108 808647861 /nfs/dbraw/zinc/64/78/61/808647861.db2.gz QGRMLWOHZAOOHM-XDXAGZTOSA-N 1 1 298.430 3.165 20 30 CGEDMO CCC[N@@H+](CCC[NH+](C)C)C1CCC(C)(C#N)CC1 ZINC001173600676 808650723 /nfs/dbraw/zinc/65/07/23/808650723.db2.gz ITWBVSBBUWMUEW-UHFFFAOYSA-N 1 1 265.445 3.123 20 30 CGEDMO CCC[N@H+](CCCN(C)C)C1CCC(C)(C#N)CC1 ZINC001173600676 808650728 /nfs/dbraw/zinc/65/07/28/808650728.db2.gz ITWBVSBBUWMUEW-UHFFFAOYSA-N 1 1 265.445 3.123 20 30 CGEDMO CCC[N@@H+](CCCN(C)C)C1CCC(C)(C#N)CC1 ZINC001173600676 808650730 /nfs/dbraw/zinc/65/07/30/808650730.db2.gz ITWBVSBBUWMUEW-UHFFFAOYSA-N 1 1 265.445 3.123 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1CC[N@H+](CCCCCC)C1 ZINC001269166134 808651914 /nfs/dbraw/zinc/65/19/14/808651914.db2.gz SHOVQWRZXXINLA-WBVHZDCISA-N 1 1 280.456 3.360 20 30 CGEDMO C=C[C@H](CC)CC(=O)N(C)[C@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001269268224 808661891 /nfs/dbraw/zinc/66/18/91/808661891.db2.gz JHYKIJCHJIIMLH-CVEARBPZSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N(C)[C@H]1CC[N@H+](CC/C=C\CC)C1 ZINC001269274574 808663779 /nfs/dbraw/zinc/66/37/79/808663779.db2.gz MKQZJLBJJNHXPT-FTJRJAGUSA-N 1 1 292.467 3.478 20 30 CGEDMO C#CCCCC(=O)N(CC)[C@@H]1CC[N@H+]([C@@H](C)CCC=C)C1 ZINC001269325282 808670379 /nfs/dbraw/zinc/67/03/79/808670379.db2.gz YPNMATGOHUZHQU-DLBZAZTESA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H](C)C(C)C)C1 ZINC001269347781 808671872 /nfs/dbraw/zinc/67/18/72/808671872.db2.gz BVIDRCGFYJASAF-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)C/C=C/c1ccc(C)cc1 ZINC001269356067 808673577 /nfs/dbraw/zinc/67/35/77/808673577.db2.gz MJCPJYDAPSAKIB-SHCNBLLESA-N 1 1 298.430 3.165 20 30 CGEDMO C#CC[N@H+](CCNC(=O)/C=C(\C)CC)C1CCCCCC1 ZINC001269605183 808691147 /nfs/dbraw/zinc/69/11/47/808691147.db2.gz NMQPJEQIJZKKIR-FOCLMDBBSA-N 1 1 290.451 3.117 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)C3(CCC)CC3)C2)C1 ZINC001269735957 808702308 /nfs/dbraw/zinc/70/23/08/808702308.db2.gz GQVMWHCIWYTUGM-QGZVFWFLSA-N 1 1 290.451 3.067 20 30 CGEDMO C[N@H+]1CCc2c(C#N)c(Nc3ccccc3F)sc2C1 ZINC001173847576 808709530 /nfs/dbraw/zinc/70/95/30/808709530.db2.gz BWTVWFQOHNZYBT-UHFFFAOYSA-N 1 1 287.363 3.490 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@]1(C)CC[N@H+](C[C@@H](C)CC)C1 ZINC001270590760 808738436 /nfs/dbraw/zinc/73/84/36/808738436.db2.gz RVJSALVETYXEDJ-MAUKXSAKSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)C1CC1 ZINC001272014853 808793202 /nfs/dbraw/zinc/79/32/02/808793202.db2.gz FAZCFIXDARPZQD-HYVNUMGLSA-N 1 1 290.451 3.064 20 30 CGEDMO CC#CC[N@@H+](C)CCN(C)C(=O)CCCCC(C)(C)C ZINC001272027341 808793514 /nfs/dbraw/zinc/79/35/14/808793514.db2.gz HDXYGKHHOTYCSD-UHFFFAOYSA-N 1 1 280.456 3.006 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H](CC)C(C)C ZINC001272042699 808795278 /nfs/dbraw/zinc/79/52/78/808795278.db2.gz IGXPRPFDUKSYOY-GVDBMIGSSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N(C)CC[N@H+](C)CC/C=C/CC ZINC001272080395 808796302 /nfs/dbraw/zinc/79/63/02/808796302.db2.gz MSPNUKOBGFFRPF-MDZDMXLPSA-N 1 1 280.456 3.335 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)C3(C)CCC3)CC[C@H]21 ZINC001272215646 808800034 /nfs/dbraw/zinc/80/00/34/808800034.db2.gz ITOXSQKIGQXUNL-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)CCC(C)C)CC[C@@H]21 ZINC001272197416 808801198 /nfs/dbraw/zinc/80/11/98/808801198.db2.gz UBGPLDGXPNHIPF-GJZGRUSLSA-N 1 1 298.858 3.098 20 30 CGEDMO C=CCN1c2ccccc2[C@]2(CC[N@H+](C[C@H](C)CC)C2)C1=O ZINC001272419956 808806493 /nfs/dbraw/zinc/80/64/93/808806493.db2.gz JYJUZDWAXRAAKD-DNVCBOLYSA-N 1 1 298.430 3.209 20 30 CGEDMO C[N@@H+]1CCc2c(C#N)c(N=C3CCCC3)sc2C1 ZINC001173997100 808811715 /nfs/dbraw/zinc/81/17/15/808811715.db2.gz QXAHYMGFGUOHRZ-UHFFFAOYSA-N 1 1 259.378 3.087 20 30 CGEDMO C[N@H+]1CCc2c(C#N)c(N=C3CCCC3)sc2C1 ZINC001173997100 808811720 /nfs/dbraw/zinc/81/17/20/808811720.db2.gz QXAHYMGFGUOHRZ-UHFFFAOYSA-N 1 1 259.378 3.087 20 30 CGEDMO C=C(C)CN1CC[C@@]2(CC[N@H+](CCCCCC)C2)C1=O ZINC001272477537 808812261 /nfs/dbraw/zinc/81/22/61/808812261.db2.gz VLJHCFSDUVJJNJ-QGZVFWFLSA-N 1 1 278.440 3.067 20 30 CGEDMO C=C(C)CN1CC[C@@]2(CC[N@H+](CCCCCCC)C2)C1=O ZINC001272479158 808813311 /nfs/dbraw/zinc/81/33/11/808813311.db2.gz YNLJYPBHLMYYAM-GOSISDBHSA-N 1 1 292.467 3.457 20 30 CGEDMO CCCCCCCCC[N@H+]1CCC[C@@]12CCN(C)C2=O ZINC001272479187 808813363 /nfs/dbraw/zinc/81/33/63/808813363.db2.gz ZHECTLRCTHPTOT-KRWDZBQOSA-N 1 1 280.456 3.434 20 30 CGEDMO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2CCC/C=C\CC)C1=O ZINC001273117299 808833844 /nfs/dbraw/zinc/83/38/44/808833844.db2.gz ZNYPFUFFGIZNSK-XFHJGTJQSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CCC/C=C\CC ZINC001273117201 808834222 /nfs/dbraw/zinc/83/42/22/808834222.db2.gz XYFIMGMYAGMQNT-XFHJGTJQSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C(C)CN1CC[C@@]2(CC[N@@H+](CCC3CCCC3)C2)C1=O ZINC001273165209 808836584 /nfs/dbraw/zinc/83/65/84/808836584.db2.gz AWWIHGOLMJWRET-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO COc1cc(Nc2cc[nH+]c3ccccc23)ccc1C#N ZINC001174039777 808838677 /nfs/dbraw/zinc/83/86/77/808838677.db2.gz CKXBEBNWYHDDJS-UHFFFAOYSA-N 1 1 275.311 3.281 20 30 CGEDMO C=C/C(C)=C\CC(=O)N[C@H]1CCC[N@@H+](CC(=C)Cl)CC1 ZINC001273436863 808845192 /nfs/dbraw/zinc/84/51/92/808845192.db2.gz DONNJTGRDNYZGG-QLBUUCPGSA-N 1 1 296.842 3.232 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C2(F)CCCC2)CC1 ZINC001273429086 808845818 /nfs/dbraw/zinc/84/58/18/808845818.db2.gz UGJSDIIZVKBOGC-HNNXBMFYSA-N 1 1 296.430 3.206 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@@]12CC(=O)N(CC=C(C)C)C2 ZINC001273487294 808848032 /nfs/dbraw/zinc/84/80/32/808848032.db2.gz XCRWIBFKFAHFSV-SFHVURJKSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@](C)(C=C)CC)C(C)(C)C1 ZINC001274446621 808875374 /nfs/dbraw/zinc/87/53/74/808875374.db2.gz RNNUCBVOQRNAPH-MAUKXSAKSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[N@@H+](C/C=C/Cl)CC1(C)C ZINC001274447617 808876634 /nfs/dbraw/zinc/87/66/34/808876634.db2.gz YEGWGRZJKUXPNH-BUUCAEBMSA-N 1 1 298.858 3.168 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)C1(C)CC1 ZINC001275107533 808909085 /nfs/dbraw/zinc/90/90/85/808909085.db2.gz DQOVYDLZYDFEIK-GJZGRUSLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC(C)(C)C1 ZINC001275144217 808915761 /nfs/dbraw/zinc/91/57/61/808915761.db2.gz VZBKFUGAMNHPLM-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(CC)cc1 ZINC001275520848 808944356 /nfs/dbraw/zinc/94/43/56/808944356.db2.gz JUPXGSPTEFPVSE-HNNXBMFYSA-N 1 1 288.435 3.152 20 30 CGEDMO C#CCCCCC(=O)N[C@@H](C)C[N@@H+](C)CCC(C)(C)C ZINC001275535872 808946378 /nfs/dbraw/zinc/94/63/78/808946378.db2.gz ZGTHVLNPLMRHJU-HNNXBMFYSA-N 1 1 280.456 3.053 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)CNC(=O)c1occc1-c1ccccc1 ZINC001275872847 808972012 /nfs/dbraw/zinc/97/20/12/808972012.db2.gz GFCXDBRLLVLHLL-AWEZNQCLSA-N 1 1 298.386 3.183 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)c1ccc(CC)s1 ZINC001275874315 808972311 /nfs/dbraw/zinc/97/23/11/808972311.db2.gz RKAJJWSPHRPCLU-ZDUSSCGKSA-N 1 1 294.464 3.327 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001275886796 808974270 /nfs/dbraw/zinc/97/42/70/808974270.db2.gz GFRAHEDDFSRYJR-LUKYLMHMSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)c1ccc(F)c(Cl)c1 ZINC001275911580 808975189 /nfs/dbraw/zinc/97/51/89/808975189.db2.gz CIESFTUVOJBXBC-NSHDSACASA-N 1 1 298.789 3.105 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)C[C@H](C)CC(C)(C)C ZINC001275936739 808978117 /nfs/dbraw/zinc/97/81/17/808978117.db2.gz VHJHQFOULBCVPJ-LSDHHAIUSA-N 1 1 282.472 3.461 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)C(C)(F)F ZINC001275987884 808982198 /nfs/dbraw/zinc/98/21/98/808982198.db2.gz VOBOLAQFQBYQMQ-LBPRGKRZSA-N 1 1 290.398 3.071 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)CC1CCC1 ZINC001276288254 808998931 /nfs/dbraw/zinc/99/89/31/808998931.db2.gz BFNIYQSBUGCLNL-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)/C(C)=C\CC ZINC001276288228 809000091 /nfs/dbraw/zinc/00/00/91/809000091.db2.gz AVHWBDVRVBPSMU-ODDCISTRSA-N 1 1 298.858 3.456 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)/C(C)=C\CC ZINC001276288228 809000100 /nfs/dbraw/zinc/00/01/00/809000100.db2.gz AVHWBDVRVBPSMU-ODDCISTRSA-N 1 1 298.858 3.456 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](C/C=C\Cl)CC1(C)C ZINC001276609410 809021101 /nfs/dbraw/zinc/02/11/01/809021101.db2.gz WODSZLFHPBLQCH-FNOHHLHBSA-N 1 1 298.858 3.168 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](C/C=C\Cl)CC1(C)C ZINC001276609410 809021107 /nfs/dbraw/zinc/02/11/07/809021107.db2.gz WODSZLFHPBLQCH-FNOHHLHBSA-N 1 1 298.858 3.168 20 30 CGEDMO C=CCCCCCCCC[N@@H+]1CC[C@@H]2C[C@@]21C(=O)N(C)C ZINC001277169800 809061093 /nfs/dbraw/zinc/06/10/93/809061093.db2.gz GTJRYUIPBVZHKT-AEFFLSMTSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCC)C1 ZINC001277284555 809067900 /nfs/dbraw/zinc/06/79/00/809067900.db2.gz LVTROCUCPUCGQQ-IAGOWNOFSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@@H+](CC1CC1)C1CCN(C(=O)C=C(C)C)CC1 ZINC001277381727 809070831 /nfs/dbraw/zinc/07/08/31/809070831.db2.gz AHORDGWOSAREDW-UHFFFAOYSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)C1CCN(C(=O)CC2CC2)CC1 ZINC001277372956 809071425 /nfs/dbraw/zinc/07/14/25/809071425.db2.gz OLCZSMLSOWXLSY-AWEZNQCLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+](CC1CC1)C1CCN(C(=O)CCC(C)C)CC1 ZINC001277382608 809072004 /nfs/dbraw/zinc/07/20/04/809072004.db2.gz NSYRWIWAGQJTTH-UHFFFAOYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC(=O)N1CCC([N@H+](C)CCCCC)CC1 ZINC001277385717 809072635 /nfs/dbraw/zinc/07/26/35/809072635.db2.gz SWQCRHHOWCQCPN-UHFFFAOYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC([N@H+](C)CCCC)CC1 ZINC001277423345 809074757 /nfs/dbraw/zinc/07/47/57/809074757.db2.gz PMRVKPUIOQQJDY-KRWDZBQOSA-N 1 1 280.456 3.312 20 30 CGEDMO CCCC[C@@H](CC)C[N@H+]1CC[C@H]2[C@@H]1CCN2CCC#N ZINC001277936488 809107702 /nfs/dbraw/zinc/10/77/02/809107702.db2.gz IMTRGVFBWIMPEP-IKGGRYGDSA-N 1 1 277.456 3.265 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)/C=C(\C)CC)[C@@H]1C ZINC001278510900 809139278 /nfs/dbraw/zinc/13/92/78/809139278.db2.gz PLUSQVUKMKLKBL-OPYKRYAKSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C/C=C(/C)C=C)[C@H]1C ZINC001278516043 809139364 /nfs/dbraw/zinc/13/93/64/809139364.db2.gz NHWWAGPDNWWUHT-QWDMWISKSA-N 1 1 276.424 3.054 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)CCC2CCC2)C1 ZINC001278653346 809149354 /nfs/dbraw/zinc/14/93/54/809149354.db2.gz LLQBFLKTDNTOOD-SFHVURJKSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)c1ccccc1C)C(C)C ZINC001278889548 809153738 /nfs/dbraw/zinc/15/37/38/809153738.db2.gz YDPOFERKOAKCCL-UHFFFAOYSA-N 1 1 288.435 3.354 20 30 CGEDMO C=C(C)Nc1cc[nH+]c(CNC(=O)OC(C)(C)C)c1 ZINC001174787557 809163832 /nfs/dbraw/zinc/16/38/32/809163832.db2.gz BASHELMGFQUHLU-UHFFFAOYSA-N 1 1 263.341 3.052 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC ZINC001279221932 809167856 /nfs/dbraw/zinc/16/78/56/809167856.db2.gz JNOYIHZWWVZSDU-MUJYYYPQSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)C[C@H](C)CC)CC1 ZINC001279544127 809174465 /nfs/dbraw/zinc/17/44/65/809174465.db2.gz DHORSOLFYDZWRF-OAHLLOKOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)[C@@]2(C)CCC[C@H]2CC)CC1 ZINC001279583392 809175684 /nfs/dbraw/zinc/17/56/84/809175684.db2.gz YDRWLWMONCFRMB-AEFFLSMTSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)C[C@H]2CC=CCC2)CC1 ZINC001279614364 809176475 /nfs/dbraw/zinc/17/64/75/809176475.db2.gz KFAXTTCQFMFNKH-INIZCTEOSA-N 1 1 288.435 3.057 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C2(CCF)CC2)CC1 ZINC001280743026 809195843 /nfs/dbraw/zinc/19/58/43/809195843.db2.gz DNMMUIJAGXTSQY-OAHLLOKOSA-N 1 1 296.430 3.063 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)C(CC)(CC)CC)CC1 ZINC001280761178 809197146 /nfs/dbraw/zinc/19/71/46/809197146.db2.gz VOMJVVHVWJHYSA-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C=C)CC)CC1 ZINC001280757056 809197941 /nfs/dbraw/zinc/19/79/41/809197941.db2.gz SJQZFPMHDUWPAE-HOTGVXAUSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCN(C)C(=O)C1CC=CC1 ZINC001280792549 809198516 /nfs/dbraw/zinc/19/85/16/809198516.db2.gz BVFSLEBFVFPECA-OAHLLOKOSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 ZINC001174914622 809198627 /nfs/dbraw/zinc/19/86/27/809198627.db2.gz DBOUPOQGKHCDBB-RHSMWYFYSA-N 1 1 294.439 3.332 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCN(C)C(=O)C1CC=CC1 ZINC001280792545 809198901 /nfs/dbraw/zinc/19/89/01/809198901.db2.gz BVFSLEBFVFPECA-HNNXBMFYSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCC(=O)NCc1ccc2c(c1)C[N@@H+](CC(=C)C)C2 ZINC001281284429 809207124 /nfs/dbraw/zinc/20/71/24/809207124.db2.gz BJGFRFAZSFJZCH-UHFFFAOYSA-N 1 1 284.403 3.161 20 30 CGEDMO C=C(C)C[N@H+]1Cc2ccc(CNC(=O)C=C(C)C)cc2C1 ZINC001281284753 809207304 /nfs/dbraw/zinc/20/73/04/809207304.db2.gz HYYSOPWDAKBWBY-UHFFFAOYSA-N 1 1 284.403 3.161 20 30 CGEDMO C#CCCCCC(=O)N1CCC[C@@H]1C[N@H+](C)C[C@@H](C)CC ZINC001281927618 809223710 /nfs/dbraw/zinc/22/37/10/809223710.db2.gz AFJHXBDJKRHPLN-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)=C1CCC1 ZINC001281932667 809224839 /nfs/dbraw/zinc/22/48/39/809224839.db2.gz OLUPKKSQWNIDFB-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCCCC(=O)NC[C@H](C)[N@@H+](C)Cc1ccc(C)cc1 ZINC001282448393 809248079 /nfs/dbraw/zinc/24/80/79/809248079.db2.gz ASSYSQVOYAZNAZ-INIZCTEOSA-N 1 1 288.435 3.288 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)CNC(=O)[C@]1(C)CC[C@H](C)C1(C)C ZINC001282464602 809249234 /nfs/dbraw/zinc/24/92/34/809249234.db2.gz MNVUFAGPFFCJRM-MPGHIAIKSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)c1cc(F)cc(Cl)c1 ZINC001282470177 809249324 /nfs/dbraw/zinc/24/93/24/809249324.db2.gz YMNAORXNDBSPBE-LLVKDONJSA-N 1 1 298.789 3.105 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)C[C@H](CC)C(C)C ZINC001282478620 809249769 /nfs/dbraw/zinc/24/97/69/809249769.db2.gz SICFMWUFJVRKLV-CABCVRRESA-N 1 1 268.445 3.071 20 30 CGEDMO CC#CC[N@@H+](C)[C@H](C)CNC(=O)CCCC1CCCCC1 ZINC001282487748 809251815 /nfs/dbraw/zinc/25/18/15/809251815.db2.gz ZWQSAPQGDCJXGL-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C(C)=C1CCC1 ZINC001282667966 809258576 /nfs/dbraw/zinc/25/85/76/809258576.db2.gz SZXSKSRBNNCYAA-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CCCC[N@H+]1C[C@H](NC(=O)C2(C)CC=CC2)C(C)(C)C1 ZINC001282823183 809265081 /nfs/dbraw/zinc/26/50/81/809265081.db2.gz VZMQFLDYPIPDDN-HNNXBMFYSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](F)CC)CC1(C)C ZINC001282823174 809265814 /nfs/dbraw/zinc/26/58/14/809265814.db2.gz VYMDALLPFYSYEF-UONOGXRCSA-N 1 1 298.446 3.163 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](C[C@@H](F)CC)CC1(C)C ZINC001282823174 809265819 /nfs/dbraw/zinc/26/58/19/809265819.db2.gz VYMDALLPFYSYEF-UONOGXRCSA-N 1 1 298.446 3.163 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC([N@@H+](C)CC(=C)C)CC1 ZINC001283310029 809275983 /nfs/dbraw/zinc/27/59/83/809275983.db2.gz DILSZNCACUUUGK-UHFFFAOYSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)[C@H]2CC[C@H](C)C2)CC1 ZINC001283332192 809277288 /nfs/dbraw/zinc/27/72/88/809277288.db2.gz SARMJRODIZKATR-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)/C=C(\C)C3CC3)CCC[C@H]12 ZINC001284045664 809293400 /nfs/dbraw/zinc/29/34/00/809293400.db2.gz PDTIFBAWOGJPLC-NEXPLYTHSA-N 1 1 288.435 3.032 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@]2(NC(=O)CCCC)CCC[C@H]12 ZINC001284032115 809293545 /nfs/dbraw/zinc/29/35/45/809293545.db2.gz SZXQVGWMQOOPBH-RDJZCZTQSA-N 1 1 278.440 3.256 20 30 CGEDMO C=CC[C@H](C(=O)OC)[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC001175436045 809404197 /nfs/dbraw/zinc/40/41/97/809404197.db2.gz CZUDSHGOSRAWOV-MRXNPFEDSA-N 1 1 291.366 3.123 20 30 CGEDMO C=CCCCC[N@H+]1CCOC[C@@H]1c1ccc(OC)cc1 ZINC001175638389 809484025 /nfs/dbraw/zinc/48/40/25/809484025.db2.gz KZHDCLBNTSVROV-QGZVFWFLSA-N 1 1 275.392 3.425 20 30 CGEDMO C=CCCCC[N@@H+]1CCOC[C@@H]1c1ccc(OC)cc1 ZINC001175638389 809484030 /nfs/dbraw/zinc/48/40/30/809484030.db2.gz KZHDCLBNTSVROV-QGZVFWFLSA-N 1 1 275.392 3.425 20 30 CGEDMO C=CCC1(C(=O)N2CC[N@H+](C)[C@H](C(C)(C)C)C2)CCCC1 ZINC001300098479 809560569 /nfs/dbraw/zinc/56/05/69/809560569.db2.gz YTRYYXKTUZKPSZ-HNNXBMFYSA-N 1 1 292.467 3.312 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)cc1 ZINC001176088195 809620468 /nfs/dbraw/zinc/62/04/68/809620468.db2.gz UKXOUHBTBVCKRA-VQTJNVASSA-N 1 1 288.394 3.374 20 30 CGEDMO C[C@]12C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001176619816 809731608 /nfs/dbraw/zinc/73/16/08/809731608.db2.gz OMVFDHALGJYHKN-XWTMOSNGSA-N 1 1 264.372 3.202 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1cccc(N(C)C)n1 ZINC001176771151 809759722 /nfs/dbraw/zinc/75/97/22/809759722.db2.gz FVERVOYCYUWGHL-HNNXBMFYSA-N 1 1 259.397 3.078 20 30 CGEDMO C#C[C@H]1CCCC[N@@H+]1Cc1cnc(OC)c2ccccc12 ZINC001176832759 809763721 /nfs/dbraw/zinc/76/37/21/809763721.db2.gz HVOCMUQVHDPTSG-HNNXBMFYSA-N 1 1 280.371 3.231 20 30 CGEDMO C#CC[N@@H+](C)CCCNCc1ccc(Cl)c(C)c1Cl ZINC001178827248 809889933 /nfs/dbraw/zinc/88/99/33/809889933.db2.gz NMVHFMCLIIMIAQ-UHFFFAOYSA-N 1 1 299.245 3.347 20 30 CGEDMO C#CCN(C)CCC[NH2+]Cc1ccc(Cl)c(C)c1Cl ZINC001178827248 809889934 /nfs/dbraw/zinc/88/99/34/809889934.db2.gz NMVHFMCLIIMIAQ-UHFFFAOYSA-N 1 1 299.245 3.347 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CC[C@@H](SC)C1 ZINC001182061081 810091925 /nfs/dbraw/zinc/09/19/25/810091925.db2.gz CFMCDVUASDFKSA-GFCCVEGCSA-N 1 1 295.835 3.289 20 30 CGEDMO C=CCN(C(=O)[C@@H]1CCC[N@H+]1CC1CC1)C1CCCCC1 ZINC001182555804 810114693 /nfs/dbraw/zinc/11/46/93/810114693.db2.gz QVXTYTFJAODMIC-KRWDZBQOSA-N 1 1 290.451 3.208 20 30 CGEDMO CC(C)C1(C[N@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)CC1 ZINC001183927676 810170179 /nfs/dbraw/zinc/17/01/79/810170179.db2.gz BRLMNMNMCUSXIU-INIZCTEOSA-N 1 1 298.434 3.266 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H]2CCN(C(=O)CCC)[C@@H]2C1 ZINC001186671134 810355678 /nfs/dbraw/zinc/35/56/78/810355678.db2.gz MEVHQMSSGSBGID-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]2C[N@H+](CC/C=C\CCC)C[C@H]21 ZINC001187232830 810390906 /nfs/dbraw/zinc/39/09/06/810390906.db2.gz JOLYZAFGWAXUNL-PRJTXATQSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCN(C(=O)CC(C)(C)CC)[C@@H]2C1 ZINC001188044297 810446120 /nfs/dbraw/zinc/44/61/20/810446120.db2.gz ZKJUGISBBZGXMQ-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@H]2C[N@H+](CCC(C)C)C[C@H]21 ZINC001188063012 810448582 /nfs/dbraw/zinc/44/85/82/810448582.db2.gz ATXRFDSCVZJLTG-JKSUJKDBSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCC(=C)C)[C@@H]2C1 ZINC001188080948 810452238 /nfs/dbraw/zinc/45/22/38/810452238.db2.gz RIAUFFJOZGVKRO-YESZJQIVSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)CC(C)C)C1 ZINC001188665585 810501867 /nfs/dbraw/zinc/50/18/67/810501867.db2.gz OZXYZAWVMRCQNZ-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)CCC2CCCC2)C1 ZINC001188702465 810504617 /nfs/dbraw/zinc/50/46/17/810504617.db2.gz QGABNXBQPNMEIQ-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)C(CC)CC)C1 ZINC001188939882 810526401 /nfs/dbraw/zinc/52/64/01/810526401.db2.gz FSEZJAPUSBDZPU-HOCLYGCPSA-N 1 1 280.456 3.310 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]2C[N@H+](CCCCCF)C[C@H]21 ZINC001189006943 810533494 /nfs/dbraw/zinc/53/34/94/810533494.db2.gz NMBGERFEBUOZMM-JKSUJKDBSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]([N@H+](C)C[C@@H](C)CC(C)C)C1 ZINC001189318885 810557644 /nfs/dbraw/zinc/55/76/44/810557644.db2.gz RVOYRXNZTRLHFL-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)CCCCCC)[C@@H]2C1 ZINC001189506931 810574212 /nfs/dbraw/zinc/57/42/12/810574212.db2.gz NEWCHFQDQNAXKS-YESZJQIVSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)CC(C)C)[C@@H]2C1 ZINC001189560685 810578651 /nfs/dbraw/zinc/57/86/51/810578651.db2.gz KGFCKXQDYYTIOB-IXDOHACOSA-N 1 1 292.467 3.168 20 30 CGEDMO C#CCCCC(=O)N1CC[C@H]([N@H+](C)C[C@@H](C)CC(C)C)C1 ZINC001189909457 810593444 /nfs/dbraw/zinc/59/34/44/810593444.db2.gz CXQBHWLYWUMNDE-IRXDYDNUSA-N 1 1 292.467 3.005 20 30 CGEDMO C#CCCCC(=O)N1CC[C@@H]([N@H+](C)C[C@H](C)CC(C)C)C1 ZINC001189909454 810593948 /nfs/dbraw/zinc/59/39/48/810593948.db2.gz CXQBHWLYWUMNDE-IAGOWNOFSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)C(C)C)C1 ZINC001190344981 810621894 /nfs/dbraw/zinc/62/18/94/810621894.db2.gz NMAJMZVWRNETFZ-HNNXBMFYSA-N 1 1 280.456 3.168 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@@H+](CC2CCCCC2)C2CC2)CCC1 ZINC001190426212 810626672 /nfs/dbraw/zinc/62/66/72/810626672.db2.gz CZTWKDCZQWABSS-QGZVFWFLSA-N 1 1 290.451 3.476 20 30 CGEDMO C#CC[N@H+](C/C=C(\C)COC)[C@H]1CCc2ccccc21 ZINC001190530030 810632352 /nfs/dbraw/zinc/63/23/52/810632352.db2.gz YXERUTSWSIXZGK-OTMARIDSSA-N 1 1 269.388 3.202 20 30 CGEDMO C=CC[N@@H+](Cc1nnc(-c2cccc(OC)c2)o1)C(C)C ZINC001190588833 810635676 /nfs/dbraw/zinc/63/56/76/810635676.db2.gz GPVZXODOYIEGFJ-UHFFFAOYSA-N 1 1 287.363 3.142 20 30 CGEDMO C=CC[N@H+](Cc1nnc(-c2cccc(OC)c2)o1)C(C)C ZINC001190588833 810635681 /nfs/dbraw/zinc/63/56/81/810635681.db2.gz GPVZXODOYIEGFJ-UHFFFAOYSA-N 1 1 287.363 3.142 20 30 CGEDMO C=CC[N@@H+](CC(=O)NCCCC1CCCCC1)C(C)C ZINC001190589680 810636666 /nfs/dbraw/zinc/63/66/66/810636666.db2.gz SIXFFKBFWIQTNO-UHFFFAOYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC=CCCC2)C1 ZINC001190879090 810653799 /nfs/dbraw/zinc/65/37/99/810653799.db2.gz OEOIADZUDGQVIF-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCC23CC3)C1 ZINC001190910122 810655405 /nfs/dbraw/zinc/65/54/05/810655405.db2.gz HKAPIXILIPCNAM-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)C(CC)CC)C1 ZINC001191050282 810666231 /nfs/dbraw/zinc/66/62/31/810666231.db2.gz GBUWBRQGBKSLBM-GOEBONIOSA-N 1 1 280.456 3.168 20 30 CGEDMO CCCCCCCCNC(=O)N1CCC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC001191064195 810669546 /nfs/dbraw/zinc/66/95/46/810669546.db2.gz RBXLSIXKQUDLOS-HZPDHXFCSA-N 1 1 295.471 3.083 20 30 CGEDMO CC[C@H]1CN(C)c2ccccc2C[N@H+]1CC1(CC#N)CC1 ZINC001191529917 810722921 /nfs/dbraw/zinc/72/29/21/810722921.db2.gz HETLNMZXWGYGRC-INIZCTEOSA-N 1 1 283.419 3.411 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C2(CCC)CCC2)C1 ZINC001191858920 810753065 /nfs/dbraw/zinc/75/30/65/810753065.db2.gz FIYPOQNLMDJVGB-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CC[C@H]([N@@H+](C)CC=C(C)C)C1 ZINC001191902058 810755401 /nfs/dbraw/zinc/75/54/01/810755401.db2.gz MAZHCBKJIZQWDB-HOTGVXAUSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]([N@H+](C)CCC(C)C)C1 ZINC001191910974 810755936 /nfs/dbraw/zinc/75/59/36/810755936.db2.gz BMCZLNBORMXSPC-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@](C)(C=C)CC)C1 ZINC001192163318 810772694 /nfs/dbraw/zinc/77/26/94/810772694.db2.gz VEXDMKIYWDYOMU-RDJZCZTQSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@@H]([N@H+](C)CCCCC)C1 ZINC001192162281 810772751 /nfs/dbraw/zinc/77/27/51/810772751.db2.gz NRZKKUVHEUFVFZ-WBVHZDCISA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)C2(CC)CC2)C1 ZINC001192189345 810773818 /nfs/dbraw/zinc/77/38/18/810773818.db2.gz DLBRLGNXSBZWMQ-GJZGRUSLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)C[C@H](C)CC)C2)CCC1 ZINC001192217828 810777500 /nfs/dbraw/zinc/77/75/00/810777500.db2.gz KNTQAUBDUPMIDZ-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@H]1CCN(C(=O)C2(CF)CC2)C1 ZINC001192293075 810784405 /nfs/dbraw/zinc/78/44/05/810784405.db2.gz GJZXFXRNQTXARK-HNNXBMFYSA-N 1 1 298.446 3.239 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H](C2CC2)C1 ZINC001192302059 810785580 /nfs/dbraw/zinc/78/55/80/810785580.db2.gz GDVYXHKRCJWHCI-INIZCTEOSA-N 1 1 254.377 3.407 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)c2c(C)cccc2C)C1 ZINC001192481152 810802830 /nfs/dbraw/zinc/80/28/30/810802830.db2.gz KVPUIYIHZIZVCE-INIZCTEOSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)CCCC(C)C)C1 ZINC001192490276 810803258 /nfs/dbraw/zinc/80/32/58/810803258.db2.gz SGCVZLPCMKYQMV-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@H]([N@H+](C)C[C@@H](C)CC)C1 ZINC001192578562 810807450 /nfs/dbraw/zinc/80/74/50/810807450.db2.gz PYGVPTBTRCYVIG-GJZGRUSLSA-N 1 1 280.456 3.168 20 30 CGEDMO CC(C)[C@H]1CCCCC[N@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001192654384 810813602 /nfs/dbraw/zinc/81/36/02/810813602.db2.gz YCIKMWDLWAGRSA-MSOLQXFVSA-N 1 1 286.419 3.492 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC23CCCC3)C1 ZINC001193279957 810866994 /nfs/dbraw/zinc/86/69/94/810866994.db2.gz RUQCGIZWHHNWMC-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)CC(C)C)C1 ZINC001193350583 810876284 /nfs/dbraw/zinc/87/62/84/810876284.db2.gz RPSXMFNCTDXTGY-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC001193713407 810940345 /nfs/dbraw/zinc/94/03/45/810940345.db2.gz GIRIUFIJCCNNQG-SCLBCKFNSA-N 1 1 286.419 3.158 20 30 CGEDMO C=CC[C@@H]1[N@@H+](C/C=C\C(=O)OCC)CCCC1(C)C ZINC001193920929 810980416 /nfs/dbraw/zinc/98/04/16/810980416.db2.gz QZKWVBXBCGLAJZ-YHAOYDPOSA-N 1 1 265.397 3.172 20 30 CGEDMO CCCCCCCOC(=O)N[C@@]1(C)CCC[N@@H+](C)C1 ZINC001194020224 811003526 /nfs/dbraw/zinc/00/35/26/811003526.db2.gz OPFGFXXBYZBHNN-HNNXBMFYSA-N 1 1 270.417 3.167 20 30 CGEDMO CC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](CC)CCCCC)C1 ZINC001194165113 811025566 /nfs/dbraw/zinc/02/55/66/811025566.db2.gz XKOVBSZCQCBFNW-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO CC#CC[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)CCCCC)C1 ZINC001194183005 811029841 /nfs/dbraw/zinc/02/98/41/811029841.db2.gz IZXCLORQPHREHV-INIZCTEOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)CCCCC)C1 ZINC001194184142 811031165 /nfs/dbraw/zinc/03/11/65/811031165.db2.gz ZCYCOWYAZGNOAP-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C=C)c2ccccc2)C1 ZINC001194199670 811034113 /nfs/dbraw/zinc/03/41/13/811034113.db2.gz FBKKBLPXZGVKCK-SJLPKXTDSA-N 1 1 298.430 3.065 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](CCC)CC(C)C)C1 ZINC001194360142 811059944 /nfs/dbraw/zinc/05/99/44/811059944.db2.gz WZLUSXHOSVQGAJ-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)C/C=C/c2ccc(C)cc2)C1 ZINC001194606053 811092417 /nfs/dbraw/zinc/09/24/17/811092417.db2.gz HEBCRLFGTBUYCT-DUMMIQTOSA-N 1 1 298.430 3.117 20 30 CGEDMO CCCCCCCCCOC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001194913474 811168596 /nfs/dbraw/zinc/16/85/96/811168596.db2.gz CRXRNZYIWCKXRU-IYBDPMFKSA-N 1 1 296.455 3.367 20 30 CGEDMO C#CCCCCC(=O)N1CCC[N@H+]([C@H](C)CCC=C)CC1 ZINC001195540412 811265566 /nfs/dbraw/zinc/26/55/66/811265566.db2.gz ABGUBGPKHBLGAT-QGZVFWFLSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[N@H+](C[C@@H](C)CC(C)C)CC1 ZINC001196731388 811360547 /nfs/dbraw/zinc/36/05/47/811360547.db2.gz AFVBGALQTZWTGC-INIZCTEOSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)[C@]2(C)C=CCC2)CC1 ZINC001196781875 811366765 /nfs/dbraw/zinc/36/67/65/811366765.db2.gz BOLOXBDAWGVMGH-SJLPKXTDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)[C@@H](C)CC(=C)C)CC1 ZINC001196881187 811377962 /nfs/dbraw/zinc/37/79/62/811377962.db2.gz QOWHPDKYUFKEKG-IRXDYDNUSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)C[C@@H](C=C)CC)CC1 ZINC001196895778 811379201 /nfs/dbraw/zinc/37/92/01/811379201.db2.gz QCOUNUIUARNGBG-INIZCTEOSA-N 1 1 278.440 3.089 20 30 CGEDMO CCCCCCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC ZINC001196944234 811385939 /nfs/dbraw/zinc/38/59/39/811385939.db2.gz UNYCVKFBLZPXDV-OAHLLOKOSA-N 1 1 283.460 3.130 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[N@H+](CC/C=C/CC)CC1 ZINC001197038867 811394035 /nfs/dbraw/zinc/39/40/35/811394035.db2.gz ZLJBUOGRMNDQPZ-GFOMBABLSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCCC1(C(=O)N2CCC[N@@H+](C/C=C/Cl)CC2)CC1 ZINC001197062251 811394503 /nfs/dbraw/zinc/39/45/03/811394503.db2.gz NUMGWMZEBGYTTA-RUDMXATFSA-N 1 1 296.842 3.020 20 30 CGEDMO C=CCCC1(C(=O)N2CCC[N@H+](C/C=C/Cl)CC2)CC1 ZINC001197062251 811394510 /nfs/dbraw/zinc/39/45/10/811394510.db2.gz NUMGWMZEBGYTTA-RUDMXATFSA-N 1 1 296.842 3.020 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[N@H+](CCCCC)CC2)C1 ZINC001197103051 811398264 /nfs/dbraw/zinc/39/82/64/811398264.db2.gz YYTBCYGRVGISSG-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[N@H+](CC/C=C\CC)CC1 ZINC001197291388 811412253 /nfs/dbraw/zinc/41/22/53/811412253.db2.gz BZUKKLVLECBZKE-FPLPWBNLSA-N 1 1 292.467 3.479 20 30 CGEDMO CC#CC[N@H+]1CCCN(C(=O)C[C@H](C)CCCCC)CC1 ZINC001197354425 811419743 /nfs/dbraw/zinc/41/97/43/811419743.db2.gz UFBQLCJYCOXEAJ-QGZVFWFLSA-N 1 1 292.467 3.151 20 30 CGEDMO CC#CC[N@@H+]1CCCN(C(=O)C[C@H](C)CCCCC)CC1 ZINC001197354425 811419748 /nfs/dbraw/zinc/41/97/48/811419748.db2.gz UFBQLCJYCOXEAJ-QGZVFWFLSA-N 1 1 292.467 3.151 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@@H](C)CC(C)C)CC1 ZINC001197614306 811436863 /nfs/dbraw/zinc/43/68/63/811436863.db2.gz JTFLWKYVSBBXLW-INIZCTEOSA-N 1 1 280.456 3.169 20 30 CGEDMO C#CC[N@@H+](CCOC1CC1)[C@H]1CCCc2ccccc21 ZINC001198103151 811476654 /nfs/dbraw/zinc/47/66/54/811476654.db2.gz DEVSSVFTASOBRU-SFHVURJKSA-N 1 1 269.388 3.178 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@]2(C=Cc3ccccc3O2)C1 ZINC001198243991 811487521 /nfs/dbraw/zinc/48/75/21/811487521.db2.gz XSMFHWBLFAIGCM-HKUYNNGSSA-N 1 1 299.414 3.254 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)CCCC2CCCC2)CC1 ZINC001198290976 811489821 /nfs/dbraw/zinc/48/98/21/811489821.db2.gz WIZZMOZHGBUKNW-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2cc(Cl)cc(C#N)c2)[C@H](C)CCO1 ZINC001198762393 811541689 /nfs/dbraw/zinc/54/16/89/811541689.db2.gz YYRNYZSYMIVHBX-VXGBXAGGSA-N 1 1 278.783 3.211 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C#N)c2)[C@H](C)CCO1 ZINC001198762393 811541697 /nfs/dbraw/zinc/54/16/97/811541697.db2.gz YYRNYZSYMIVHBX-VXGBXAGGSA-N 1 1 278.783 3.211 20 30 CGEDMO C=CCOC[C@]12CCCO[C@@H]1CC[N@H+](C[C@@H](C)CC)C2 ZINC001201502827 811870885 /nfs/dbraw/zinc/87/08/85/811870885.db2.gz LGVNEDZXNVDFKR-GVDBMIGSSA-N 1 1 281.440 3.106 20 30 CGEDMO CC[C@H](C)C[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001201517258 811880572 /nfs/dbraw/zinc/88/05/72/811880572.db2.gz PCDOVQDREBDDEB-WMLDXEAASA-N 1 1 272.392 3.448 20 30 CGEDMO CC(C)CC[N@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001201624487 811923473 /nfs/dbraw/zinc/92/34/73/811923473.db2.gz SRNWXTJYZIXQKI-KRWDZBQOSA-N 1 1 272.392 3.448 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](CCCC)[C@@H]2CC ZINC001201706112 811942184 /nfs/dbraw/zinc/94/21/84/811942184.db2.gz KBZXSGLXYWNYAQ-WBVHZDCISA-N 1 1 278.440 3.208 20 30 CGEDMO CCCCCCC[N@@H+]1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001201798524 811966208 /nfs/dbraw/zinc/96/62/08/811966208.db2.gz XAODSMBFYBTBKF-SRVKXCTJSA-N 1 1 265.319 3.361 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H]2C[C@H]1[C@@H](C(F)(F)F)O2 ZINC001201798524 811966212 /nfs/dbraw/zinc/96/62/12/811966212.db2.gz XAODSMBFYBTBKF-SRVKXCTJSA-N 1 1 265.319 3.361 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H](NC(=O)C2CCC2)C1 ZINC001201798111 811966661 /nfs/dbraw/zinc/96/66/61/811966661.db2.gz PAWGRBXITCETMW-MRXNPFEDSA-N 1 1 280.456 3.338 20 30 CGEDMO CCCCCCCC[N@H+]1CCc2c(ncnc2OC)C1 ZINC001201825693 811967524 /nfs/dbraw/zinc/96/75/24/811967524.db2.gz CUNKCIJEBSOUIY-UHFFFAOYSA-N 1 1 277.412 3.204 20 30 CGEDMO CCCCCCCCCC[N@@H+]1CCc2nncn2CC1 ZINC001201852880 811972924 /nfs/dbraw/zinc/97/29/24/811972924.db2.gz QIOAFZIVUORZTP-UHFFFAOYSA-N 1 1 278.444 3.277 20 30 CGEDMO CCCCCCCCCC[N@H+](C)CCN1CCN(C)CC1 ZINC001201874796 811973895 /nfs/dbraw/zinc/97/38/95/811973895.db2.gz GNQSBLLJIDOROL-UHFFFAOYSA-N 1 1 297.531 3.306 20 30 CGEDMO CCCCCCCCCC[N@@H+](C)CCN1CCN(C)CC1 ZINC001201874796 811973899 /nfs/dbraw/zinc/97/38/99/811973899.db2.gz GNQSBLLJIDOROL-UHFFFAOYSA-N 1 1 297.531 3.306 20 30 CGEDMO C#Cc1cccc(C[NH2+]Cc2ccc(F)c(F)c2F)c1 ZINC001202812841 812179253 /nfs/dbraw/zinc/17/92/53/812179253.db2.gz PQVIPHUNNXOBSL-UHFFFAOYSA-N 1 1 275.273 3.375 20 30 CGEDMO Cc1cc(C)c(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)c(C)c1 ZINC001203743323 812448980 /nfs/dbraw/zinc/44/89/80/812448980.db2.gz PEFXICLODIVHHD-MRXNPFEDSA-N 1 1 287.428 3.386 20 30 CGEDMO Cc1cc(C)c(C[N@@H+]2CCC3SC(=O)C=C3C2)c(C)c1 ZINC001203743323 812448986 /nfs/dbraw/zinc/44/89/86/812448986.db2.gz PEFXICLODIVHHD-MRXNPFEDSA-N 1 1 287.428 3.386 20 30 CGEDMO Cc1cc(C)c(C[N@H+]2CCC3SC(=O)C=C3C2)c(C)c1 ZINC001203743323 812448990 /nfs/dbraw/zinc/44/89/90/812448990.db2.gz PEFXICLODIVHHD-MRXNPFEDSA-N 1 1 287.428 3.386 20 30 CGEDMO Cc1cc(C)c(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)c(C)c1 ZINC001203743320 812449180 /nfs/dbraw/zinc/44/91/80/812449180.db2.gz PEFXICLODIVHHD-INIZCTEOSA-N 1 1 287.428 3.386 20 30 CGEDMO Cc1cc(C)c(C[N@@H+]2CCC3SC(=O)C=C3C2)c(C)c1 ZINC001203743320 812449186 /nfs/dbraw/zinc/44/91/86/812449186.db2.gz PEFXICLODIVHHD-INIZCTEOSA-N 1 1 287.428 3.386 20 30 CGEDMO Cc1cc(C)c(C[N@H+]2CCC3SC(=O)C=C3C2)c(C)c1 ZINC001203743320 812449190 /nfs/dbraw/zinc/44/91/90/812449190.db2.gz PEFXICLODIVHHD-INIZCTEOSA-N 1 1 287.428 3.386 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1ccc(C(=O)OC)cc1 ZINC001204148757 812557877 /nfs/dbraw/zinc/55/78/77/812557877.db2.gz YVHYPZVGDOUYES-UHFFFAOYSA-N 1 1 261.365 3.261 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC(C)(C)C[C@]2(C)CO)cc1 ZINC001204298301 812604322 /nfs/dbraw/zinc/60/43/22/812604322.db2.gz ZKKXHVAZNTUCAB-GOSISDBHSA-N 1 1 289.419 3.234 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CCOC[C@@H]1C1CCCCC1 ZINC001204373572 812623015 /nfs/dbraw/zinc/62/30/15/812623015.db2.gz WRKCJKSQQOUYJP-GOSISDBHSA-N 1 1 284.403 3.339 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CCOC[C@@H]1C1CCCCC1 ZINC001204373572 812623020 /nfs/dbraw/zinc/62/30/20/812623020.db2.gz WRKCJKSQQOUYJP-GOSISDBHSA-N 1 1 284.403 3.339 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccccc2OC(F)(F)F)C1 ZINC001204427972 812635367 /nfs/dbraw/zinc/63/53/67/812635367.db2.gz FZMYFENYRMXPSQ-LBPRGKRZSA-N 1 1 283.293 3.430 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccccc2OC(F)(F)F)C1 ZINC001204427972 812635372 /nfs/dbraw/zinc/63/53/72/812635372.db2.gz FZMYFENYRMXPSQ-LBPRGKRZSA-N 1 1 283.293 3.430 20 30 CGEDMO Cc1cccc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)c1C ZINC001205066416 812844143 /nfs/dbraw/zinc/84/41/43/812844143.db2.gz BLJXBEZVZLPSCG-OAHLLOKOSA-N 1 1 273.401 3.078 20 30 CGEDMO Cc1cccc(C[N@@H+]2CCC3SC(=O)C=C3C2)c1C ZINC001205066416 812844147 /nfs/dbraw/zinc/84/41/47/812844147.db2.gz BLJXBEZVZLPSCG-OAHLLOKOSA-N 1 1 273.401 3.078 20 30 CGEDMO Cc1cccc(C[N@H+]2CCC3SC(=O)C=C3C2)c1C ZINC001205066416 812844161 /nfs/dbraw/zinc/84/41/61/812844161.db2.gz BLJXBEZVZLPSCG-OAHLLOKOSA-N 1 1 273.401 3.078 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1OCCCCC#N ZINC001205673689 813050127 /nfs/dbraw/zinc/05/01/27/813050127.db2.gz XXCKQCMGFAZYDM-RDJZCZTQSA-N 1 1 272.392 3.217 20 30 CGEDMO C=CCC[C@H]([NH2+][C@H]1CCC[C@H](C)CC1)C(=O)OCC ZINC001205848821 813106858 /nfs/dbraw/zinc/10/68/58/813106858.db2.gz HPUODBCXTKBCMD-KKUMJFAQSA-N 1 1 267.413 3.443 20 30 CGEDMO C=C(C)COc1ccccc1CN1CCC[C@H](C[NH3+])[C@H]1C ZINC001205901267 813122663 /nfs/dbraw/zinc/12/26/63/813122663.db2.gz CCMKBPOWNCEUDQ-HZPDHXFCSA-N 1 1 288.435 3.201 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC(C)C)C1 ZINC001205950892 813144245 /nfs/dbraw/zinc/14/42/45/813144245.db2.gz JZKNTMJJUPUFCQ-BZUAXINKSA-N 1 1 280.456 3.214 20 30 CGEDMO C[C@H]1CN(Cc2c(Cl)cccc2C#N)CCC[C@@H]1C[NH3+] ZINC001206012047 813165306 /nfs/dbraw/zinc/16/53/06/813165306.db2.gz IDVYPEABWVYPNV-QWHCGFSZSA-N 1 1 291.826 3.018 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1ccc2nonc2c1)c1ccc(Cl)cc1 ZINC001206084344 813194767 /nfs/dbraw/zinc/19/47/67/813194767.db2.gz HBAWUSKYMCIMHN-CQSZACIVSA-N 1 1 297.745 3.340 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)CCCC)C1 ZINC001206162281 813219550 /nfs/dbraw/zinc/21/95/50/813219550.db2.gz VQNUINXVMVCSLJ-BZUAXINKSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2)C[C@H]1C ZINC001206509248 813339292 /nfs/dbraw/zinc/33/92/92/813339292.db2.gz HHMUWNDZDCYOSY-HLLBOEOZSA-N 1 1 286.419 3.150 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2=CCCCC2)C1 ZINC001206565378 813355487 /nfs/dbraw/zinc/35/54/87/813355487.db2.gz QFJCBRDOLHMXLP-NVXWUHKLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CO[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC001206736045 813412791 /nfs/dbraw/zinc/41/27/91/813412791.db2.gz LMQJHVOSUIJKST-RDJZCZTQSA-N 1 1 259.393 3.490 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC2CCC2)C1 ZINC001206833409 813449196 /nfs/dbraw/zinc/44/91/96/813449196.db2.gz MUTHCKWZQJVJOC-BFYDXBDKSA-N 1 1 292.467 3.358 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN1CC[N@H+](C)C(C)(C)CC1 ZINC001206854769 813453673 /nfs/dbraw/zinc/45/36/73/813453673.db2.gz BWERHPFCDPZRBS-UHFFFAOYSA-N 1 1 285.435 3.091 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCN(C)C(C)(C)CC1 ZINC001206854769 813453678 /nfs/dbraw/zinc/45/36/78/813453678.db2.gz BWERHPFCDPZRBS-UHFFFAOYSA-N 1 1 285.435 3.091 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCN(C)C(C)(C)CC1 ZINC001206854769 813453683 /nfs/dbraw/zinc/45/36/83/813453683.db2.gz BWERHPFCDPZRBS-UHFFFAOYSA-N 1 1 285.435 3.091 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(C)CC=CCC2)C1 ZINC001207093243 813484375 /nfs/dbraw/zinc/48/43/75/813484375.db2.gz FJLCWXJLMZDYFX-JFIYKMOQSA-N 1 1 290.451 3.136 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)Cc2ccccc21 ZINC001207103247 813486963 /nfs/dbraw/zinc/48/69/63/813486963.db2.gz QTMIKZMQFTZJOP-ZDUSSCGKSA-N 1 1 265.360 3.016 20 30 CGEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[C@@H](C)CC)C1 ZINC001207138732 813496681 /nfs/dbraw/zinc/49/66/81/813496681.db2.gz RCUCWRGSARYAFV-GVDBMIGSSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCN(CC[N@@H+]1C[C@H](C)CC12CC2)C(=O)OC(C)(C)C ZINC001207204560 813515404 /nfs/dbraw/zinc/51/54/04/813515404.db2.gz RIXGGDKVSCZBAQ-CQSZACIVSA-N 1 1 294.439 3.284 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCc1c(Cl)ncnc1Cl ZINC001207331846 813540835 /nfs/dbraw/zinc/54/08/35/813540835.db2.gz WQYVYAFBDDTIKU-UHFFFAOYSA-N 1 1 274.195 3.224 20 30 CGEDMO C=CCC[C@H](CC)[NH2+][C@H](CC(=C)C)C(=O)OCC ZINC001207334666 813543172 /nfs/dbraw/zinc/54/31/72/813543172.db2.gz SRFPQVSNRMMSEE-UONOGXRCSA-N 1 1 253.386 3.219 20 30 CGEDMO COc1cccc(CCC[N@H+]2CCC[C@H](C#N)CC2)c1 ZINC001207572577 813596459 /nfs/dbraw/zinc/59/64/59/813596459.db2.gz CEZNOUZBRRTTAG-INIZCTEOSA-N 1 1 272.392 3.253 20 30 CGEDMO C=CCCCCCCCCC[N@H+](C)CCC(=O)NC ZINC001207898904 813667325 /nfs/dbraw/zinc/66/73/25/813667325.db2.gz HNPDCEXUYTUJDX-UHFFFAOYSA-N 1 1 268.445 3.361 20 30 CGEDMO O=C1C=C2C[N@H+](CCCC3CCCC3)CCC2S1 ZINC001208088879 813691232 /nfs/dbraw/zinc/69/12/32/813691232.db2.gz UILODIOTXFEXMG-CQSZACIVSA-N 1 1 265.422 3.231 20 30 CGEDMO CCCCCCC/C=C/C[NH+]1CCN(CCF)CC1 ZINC001208118516 813695741 /nfs/dbraw/zinc/69/57/41/813695741.db2.gz KCICNIQOSMWFPJ-CMDGGOBGSA-N 1 1 270.436 3.490 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCCC[C@@](O)(CF)C2)CC1 ZINC001208170222 813723353 /nfs/dbraw/zinc/72/33/53/813723353.db2.gz FYOPWPLSTOZJJD-IAGOWNOFSA-N 1 1 281.415 3.476 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@H](O)[C@@H](C)C2)CC1 ZINC001208171795 813726012 /nfs/dbraw/zinc/72/60/12/813726012.db2.gz ZPYASUCOVKURHO-UAGQMJEPSA-N 1 1 263.425 3.382 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1C[N@@H+](CCCCCC)C[C@H]1C ZINC001208458829 813761678 /nfs/dbraw/zinc/76/16/78/813761678.db2.gz ZZNDEJSMQMGWNL-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@H+](CC/C=C\CC)C2 ZINC001208729050 813818974 /nfs/dbraw/zinc/81/89/74/813818974.db2.gz ZIGCFDATEXVHAK-MBZYTVFJSA-N 1 1 279.424 3.169 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001208731110 813819390 /nfs/dbraw/zinc/81/93/90/813819390.db2.gz FSODIITVEOQIJA-QBPKDAKJSA-N 1 1 292.467 3.071 20 30 CGEDMO N#Cc1cccc(CCC[N@@H+]2CCC(=O)[C@H]3CCCC[C@H]32)c1 ZINC001208846104 813864357 /nfs/dbraw/zinc/86/43/57/813864357.db2.gz WXAZMEDRNDIIRB-ZWKOTPCHSA-N 1 1 296.414 3.324 20 30 CGEDMO N#Cc1cccc(CCC[N@@H+]2CCCC[C@@H](F)C2)c1 ZINC001208846271 813865401 /nfs/dbraw/zinc/86/54/01/813865401.db2.gz YWHGXXFDJHGPOB-MRXNPFEDSA-N 1 1 260.356 3.315 20 30 CGEDMO C[N@@H+](CCCc1cccc(C#N)c1)CCc1cccnc1 ZINC001208853041 813866023 /nfs/dbraw/zinc/86/60/23/813866023.db2.gz AQVVUYISYVPENL-UHFFFAOYSA-N 1 1 279.387 3.060 20 30 CGEDMO C[N@@H+](CCCc1ccc(C#N)cc1)Cc1ccncc1 ZINC001208856908 813870318 /nfs/dbraw/zinc/87/03/18/813870318.db2.gz TXBIVSWWWVOTON-UHFFFAOYSA-N 1 1 265.360 3.018 20 30 CGEDMO C[C@H](C[N@@H+]1CCc2ccc(C#N)cc2C1)C(F)(F)F ZINC001208896328 813886680 /nfs/dbraw/zinc/88/66/80/813886680.db2.gz SWYOYMGHYYAMIU-SNVBAGLBSA-N 1 1 268.282 3.115 20 30 CGEDMO C[C@H](C[N@H+]1CCc2ccc(C#N)cc2C1)C(F)(F)F ZINC001208896328 813886688 /nfs/dbraw/zinc/88/66/88/813886688.db2.gz SWYOYMGHYYAMIU-SNVBAGLBSA-N 1 1 268.282 3.115 20 30 CGEDMO C#C[C@H]1CCC[N@H+](C[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC001208940501 813908514 /nfs/dbraw/zinc/90/85/14/813908514.db2.gz SLQCAXKKVIJEIC-AZUAARDMSA-N 1 1 296.458 3.244 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](C[C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC001208940501 813908516 /nfs/dbraw/zinc/90/85/16/813908516.db2.gz SLQCAXKKVIJEIC-AZUAARDMSA-N 1 1 296.458 3.244 20 30 CGEDMO C=CCN(CC[N@@H+]1CCCC[C@@H]1CCC)C(=O)OCC ZINC001209020821 813917571 /nfs/dbraw/zinc/91/75/71/813917571.db2.gz CIZACQGXHQPMEO-HNNXBMFYSA-N 1 1 282.428 3.286 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC001209118481 813940013 /nfs/dbraw/zinc/94/00/13/813940013.db2.gz WQFAMSPGQPJKLY-ZDUSSCGKSA-N 1 1 282.309 3.483 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC001209118481 813940018 /nfs/dbraw/zinc/94/00/18/813940018.db2.gz WQFAMSPGQPJKLY-ZDUSSCGKSA-N 1 1 282.309 3.483 20 30 CGEDMO C=CCCC[N@H+]1CC[C@]2(CCN(c3ccsc3)C2=O)C1 ZINC001209161172 813951990 /nfs/dbraw/zinc/95/19/90/813951990.db2.gz ILOREFUGFXKJER-INIZCTEOSA-N 1 1 290.432 3.143 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2[C@@H](CCN2Cc2ccccc2)C1 ZINC001209160371 813952037 /nfs/dbraw/zinc/95/20/37/813952037.db2.gz UHLGZDDGPCKRLM-ROUUACIJSA-N 1 1 270.420 3.159 20 30 CGEDMO C=CCCCC[N@H+]1CC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001209203309 813966094 /nfs/dbraw/zinc/96/60/94/813966094.db2.gz WJXXGRJPLAMJPS-DLBZAZTESA-N 1 1 279.424 3.003 20 30 CGEDMO C=CCCCC[N@@H+](C)[C@@H](Cc1ccccc1)C(=O)OC ZINC001209207137 813968564 /nfs/dbraw/zinc/96/85/64/813968564.db2.gz MTEYLQFNERTGIE-INIZCTEOSA-N 1 1 275.392 3.059 20 30 CGEDMO C=CCCCC[N@H+](C)[C@@H](Cc1ccccc1)C(=O)OC ZINC001209207137 813968568 /nfs/dbraw/zinc/96/85/68/813968568.db2.gz MTEYLQFNERTGIE-INIZCTEOSA-N 1 1 275.392 3.059 20 30 CGEDMO N#Cc1ccc2c(c1)CC[N@H+](CCc1cccs1)C2 ZINC001209223262 813973609 /nfs/dbraw/zinc/97/36/09/813973609.db2.gz XMEDIDBMBJUDGY-UHFFFAOYSA-N 1 1 268.385 3.221 20 30 CGEDMO C#CCCC[N@@H+]1CCSC[C@H]1c1ccc(F)cc1 ZINC001209265964 813988377 /nfs/dbraw/zinc/98/83/77/813988377.db2.gz DOPIXSIGZIMPDU-HNNXBMFYSA-N 1 1 263.381 3.329 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@H](c2cccc(OC)c2)C1 ZINC001209267537 813990040 /nfs/dbraw/zinc/99/00/40/813990040.db2.gz IUPHIEHKPMDDJL-INIZCTEOSA-N 1 1 257.377 3.288 20 30 CGEDMO CCCC[N@H+](CCC#N)CCCCNC(=O)OC(C)(C)C ZINC001209363167 814002946 /nfs/dbraw/zinc/00/29/46/814002946.db2.gz GJXJBRAGAJGAMW-UHFFFAOYSA-N 1 1 297.443 3.307 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCCNC(=O)OC(C)(C)C ZINC001209365733 814005525 /nfs/dbraw/zinc/00/55/25/814005525.db2.gz NLTDHMDXVAJQMO-UHFFFAOYSA-N 1 1 270.417 3.189 20 30 CGEDMO C=CCCCCC[N@H+]1Cc2nn(CC)cc2[C@H](COC)C1 ZINC001209422458 814025093 /nfs/dbraw/zinc/02/50/93/814025093.db2.gz BJICJWYNJRVIEE-HNNXBMFYSA-N 1 1 291.439 3.195 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@]2(C1)CCCCN2C(C)=O ZINC001209427673 814027796 /nfs/dbraw/zinc/02/77/96/814027796.db2.gz WWUQFDLDXUFTPS-KRWDZBQOSA-N 1 1 278.440 3.210 20 30 CGEDMO C=CCCCCCC[N@@H+](C)Cc1nnc2ccccn21 ZINC001209431830 814031516 /nfs/dbraw/zinc/03/15/16/814031516.db2.gz URQOCVZGSPGMFY-UHFFFAOYSA-N 1 1 272.396 3.298 20 30 CGEDMO C=CCCCCCC[N@H+](C)Cc1nnc2ccccn21 ZINC001209431830 814031522 /nfs/dbraw/zinc/03/15/22/814031522.db2.gz URQOCVZGSPGMFY-UHFFFAOYSA-N 1 1 272.396 3.298 20 30 CGEDMO C=CCCCCCC[N@@H+]1CCC[C@H](C(=O)OC)C1 ZINC001209431575 814031777 /nfs/dbraw/zinc/03/17/77/814031777.db2.gz QDYGGUXODPPJIN-AWEZNQCLSA-N 1 1 253.386 3.008 20 30 CGEDMO COc1cc(C#N)ccc1Nc1cccc2[nH+]cn(C)c21 ZINC001209430553 814032426 /nfs/dbraw/zinc/03/24/26/814032426.db2.gz BAVDZYSFYSJBDC-UHFFFAOYSA-N 1 1 278.315 3.197 20 30 CGEDMO C=CCCCCCC[N@@H+]1CC[C@H](Oc2nccc(C)n2)C1 ZINC001209438147 814037768 /nfs/dbraw/zinc/03/77/68/814037768.db2.gz HMFFUSQFCDUYLG-INIZCTEOSA-N 1 1 289.423 3.375 20 30 CGEDMO C=CCCCCCC[N@@H+]1CCn2c(nnc2C2CC2)C1 ZINC001209435985 814037787 /nfs/dbraw/zinc/03/77/87/814037787.db2.gz LMOGWDNVABSLGI-UHFFFAOYSA-N 1 1 274.412 3.108 20 30 CGEDMO C=CCCCCCC[N@H+]1CCn2c(nnc2C2CC2)C1 ZINC001209435985 814037796 /nfs/dbraw/zinc/03/77/96/814037796.db2.gz LMOGWDNVABSLGI-UHFFFAOYSA-N 1 1 274.412 3.108 20 30 CGEDMO C=CCCCCCCCN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001209439442 814038520 /nfs/dbraw/zinc/03/85/20/814038520.db2.gz PWXFJLASXACWLS-GOSISDBHSA-N 1 1 294.483 3.310 20 30 CGEDMO C=CCCCCCCC[N@H+]1CCc2ncncc2C1 ZINC001209439763 814039074 /nfs/dbraw/zinc/03/90/74/814039074.db2.gz YKFXBBZQYIFZLH-UHFFFAOYSA-N 1 1 259.397 3.361 20 30 CGEDMO C=CCCCCCCC[N@H+]1CCc2ncn(C)c2C1 ZINC001209440659 814041882 /nfs/dbraw/zinc/04/18/82/814041882.db2.gz AUUGTHVVZKZFOB-UHFFFAOYSA-N 1 1 261.413 3.305 20 30 CGEDMO N#Cc1nc(Cl)ccc1Nc1ccc2[nH]c[nH+]c2c1 ZINC001209841528 814160051 /nfs/dbraw/zinc/16/00/51/814160051.db2.gz UCDDCBXHISHAHM-UHFFFAOYSA-N 1 1 269.695 3.227 20 30 CGEDMO C[C@H]1CC(=O)C=C(c2ccc([C@@H]3CC[N@@H+](C)C3)cc2)C1 ZINC001242742775 823118933 /nfs/dbraw/zinc/11/89/33/823118933.db2.gz CHJUMGDCEZLZHK-CZUORRHYSA-N 1 1 269.388 3.488 20 30 CGEDMO C[C@@H]1CC(=O)C=C(c2ccc3c(c2)CC[N@H+](C)C3)C1 ZINC001242746403 823121119 /nfs/dbraw/zinc/12/11/19/823121119.db2.gz XEAZEQWPNLXGBC-LBPRGKRZSA-N 1 1 255.361 3.057 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(CC=C)CCCC2)C1 ZINC001211495757 814896402 /nfs/dbraw/zinc/89/64/02/814896402.db2.gz WDHSRUVEMOUUCP-HZPDHXFCSA-N 1 1 290.451 3.136 20 30 CGEDMO CCCCCCC[C@H](C)OCCCC[C@@H]([NH3+])C(=O)OC ZINC001217840569 815974755 /nfs/dbraw/zinc/97/47/55/815974755.db2.gz FYJDMHRPIRABGS-LSDHHAIUSA-N 1 1 287.444 3.423 20 30 CGEDMO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1nc2ccc(Cl)cc2[nH]1 ZINC001218451296 816218872 /nfs/dbraw/zinc/21/88/72/816218872.db2.gz DUCQTBKNYVWSJE-TZMCWYRMSA-N 1 1 291.782 3.292 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)/C(C)=C/CC)[C@@H]2C1 ZINC001221370930 816311977 /nfs/dbraw/zinc/31/19/77/816311977.db2.gz AXGLWCQNQILHDW-YHQHXFGGSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](CCCCCC)C[C@H]21 ZINC001221733646 816323446 /nfs/dbraw/zinc/32/34/46/816323446.db2.gz WKYSWKAYHGLRMW-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCC(=O)N1C[C@H]2CC[N@H+]([C@@H](C)CCC=C)C[C@H]21 ZINC001221779780 816327767 /nfs/dbraw/zinc/32/77/67/816327767.db2.gz MTABZXMKYHWETP-GVDBMIGSSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[N@H+](CCCCC)C[C@H]21 ZINC001221790480 816327844 /nfs/dbraw/zinc/32/78/44/816327844.db2.gz PXDGRTNRFFUIPS-NUJGCVRESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC1(C(=O)N2C[C@H]3CC[N@H+](CCCC)C[C@H]32)CC1 ZINC001221795440 816327966 /nfs/dbraw/zinc/32/79/66/816327966.db2.gz ZKMDMIXIELXWOG-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](CC)C(C)C)[C@@H]2C1 ZINC001221960623 816336547 /nfs/dbraw/zinc/33/65/47/816336547.db2.gz BFJUMBSLPGDYFR-GVDBMIGSSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@H]2CC[N@H+](CCCC)[C@H]2C1 ZINC001222790112 816518102 /nfs/dbraw/zinc/51/81/02/816518102.db2.gz UACUWMBTHMQCDS-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]2CC[N@H+](CC=C(C)C)[C@H]2C1 ZINC001223406234 816624205 /nfs/dbraw/zinc/62/42/05/816624205.db2.gz RDJALDQWEUYJHT-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC(CC)CC)C[C@@H]21 ZINC001223769607 816679848 /nfs/dbraw/zinc/67/98/48/816679848.db2.gz DGAPBLXRYOYIDW-SJORKVTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCOc1ccccc1CO[C@@H]1CCC[N@H+](C)CC1 ZINC001223786164 816684149 /nfs/dbraw/zinc/68/41/49/816684149.db2.gz VRABAJJYXZUIIQ-MRXNPFEDSA-N 1 1 275.392 3.252 20 30 CGEDMO CCCCCCCC[C@@H](C)OCC[NH+]1CCN(C)CC1 ZINC001224550568 816827178 /nfs/dbraw/zinc/82/71/78/816827178.db2.gz WXXVBMDCSKSIKK-QGZVFWFLSA-N 1 1 284.488 3.390 20 30 CGEDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](OCC#C[Si](C)(C)C)C2 ZINC001224616792 816833105 /nfs/dbraw/zinc/83/31/05/816833105.db2.gz XNWUPQLRHIAKSY-ZSHCYNCHSA-N 1 1 279.500 3.288 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H](Oc2ccc(C#N)cc2Cl)C1 ZINC001225726709 817158266 /nfs/dbraw/zinc/15/82/66/817158266.db2.gz HESNOEDPBHZUDK-CYBMUJFWSA-N 1 1 278.783 3.463 20 30 CGEDMO C[N@H+]1CC[C@H](Oc2ccc(C#Cc3ccc(F)cc3)cc2)C1 ZINC001226003609 817246178 /nfs/dbraw/zinc/24/61/78/817246178.db2.gz ASOWCGFOWOKJRQ-IBGZPJMESA-N 1 1 295.357 3.308 20 30 CGEDMO CC(C)c1ccc(C#N)c(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC001226356380 817334605 /nfs/dbraw/zinc/33/46/05/817334605.db2.gz QJIFJIXMNLLBDQ-QDMKHBRRSA-N 1 1 285.391 3.081 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H](Oc2ccc(Cl)cc2C#N)C1 ZINC001227205507 817591152 /nfs/dbraw/zinc/59/11/52/817591152.db2.gz LGFUUHUAAWRCCZ-AWEZNQCLSA-N 1 1 278.783 3.463 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)CC(C)(C)C2CC2)CC1 ZINC001227221725 817597437 /nfs/dbraw/zinc/59/74/37/817597437.db2.gz XXAPMEUBAXDLIV-UHFFFAOYSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)Cc1cccs1 ZINC001231242579 818062235 /nfs/dbraw/zinc/06/22/35/818062235.db2.gz CMJFOURFKWRLEL-AWEZNQCLSA-N 1 1 294.464 3.083 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC1=CCCCC1 ZINC001231262556 818066744 /nfs/dbraw/zinc/06/67/44/818066744.db2.gz GMSAISOQTOYXFU-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO N#CCC[N@@H+](Cc1c[nH]c2cccnc12)C1CCCC1 ZINC001231488946 818111526 /nfs/dbraw/zinc/11/15/26/818111526.db2.gz GWXXKXXRGOWOLM-UHFFFAOYSA-N 1 1 268.364 3.221 20 30 CGEDMO C[N@@H+](Cc1c[nH]c2cccnc12)Cc1cccc(C#N)c1 ZINC001231493725 818113014 /nfs/dbraw/zinc/11/30/14/818113014.db2.gz VOUMPLBPDDDACH-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1c[nH]c2cnccc12 ZINC001231518433 818118615 /nfs/dbraw/zinc/11/86/15/818118615.db2.gz HNCFNUFOMUIPSH-UHFFFAOYSA-N 1 1 256.353 3.079 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1c[nH]c2cnccc12 ZINC001231518433 818118619 /nfs/dbraw/zinc/11/86/19/818118619.db2.gz HNCFNUFOMUIPSH-UHFFFAOYSA-N 1 1 256.353 3.079 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CC[C@@]3(CCCO3)C2)c1 ZINC001231621193 818138437 /nfs/dbraw/zinc/13/84/37/818138437.db2.gz SLXABKCDQSFADY-KRWDZBQOSA-N 1 1 273.376 3.006 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCC12CCCCC2 ZINC001231616466 818138819 /nfs/dbraw/zinc/13/88/19/818138819.db2.gz BFUQPGXOFBMBAJ-UHFFFAOYSA-N 1 1 270.376 3.475 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCCC[C@H]2C(C)=O)c1 ZINC001231625214 818140782 /nfs/dbraw/zinc/14/07/82/818140782.db2.gz PUCHNJLIRUCWDK-KRWDZBQOSA-N 1 1 273.376 3.195 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCCC[C@H]2C(C)=O)c1 ZINC001231625214 818140787 /nfs/dbraw/zinc/14/07/87/818140787.db2.gz PUCHNJLIRUCWDK-KRWDZBQOSA-N 1 1 273.376 3.195 20 30 CGEDMO C=CCOc1cccc(C[NH+]2CC3(C2)C[C@@H](F)CS3)c1 ZINC001231625014 818140889 /nfs/dbraw/zinc/14/08/89/818140889.db2.gz JVNGSCVKOZIXIL-CQSZACIVSA-N 1 1 293.407 3.281 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c1 ZINC001231656254 818150973 /nfs/dbraw/zinc/15/09/73/818150973.db2.gz HBBBFXDNARTPFO-GASCZTMLSA-N 1 1 261.315 3.145 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CCOC[C@H]2Cc2ccccc2)c1 ZINC001231660285 818152528 /nfs/dbraw/zinc/15/25/28/818152528.db2.gz BOYCGZLVJXAZMO-HXUWFJFHSA-N 1 1 291.394 3.111 20 30 CGEDMO C[N@@H+](CCc1cccnc1)Cc1ccc(C#N)c(Cl)c1 ZINC001232115002 818257788 /nfs/dbraw/zinc/25/77/88/818257788.db2.gz CKHFIEMWLDJEPJ-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC3(C2)CCOCC3)cc1Cl ZINC001232120137 818259835 /nfs/dbraw/zinc/25/98/35/818259835.db2.gz NMUXFJVUHZKOND-UHFFFAOYSA-N 1 1 290.794 3.214 20 30 CGEDMO N#Cc1ccc(O[C@@H]2CCC[N@H+](Cc3cnsc3)C2)cc1 ZINC001232231180 818286590 /nfs/dbraw/zinc/28/65/90/818286590.db2.gz LHRMAALJELTQKZ-MRXNPFEDSA-N 1 1 299.399 3.058 20 30 CGEDMO N#Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3cnsc3)C2)cc1 ZINC001232231180 818286594 /nfs/dbraw/zinc/28/65/94/818286594.db2.gz LHRMAALJELTQKZ-MRXNPFEDSA-N 1 1 299.399 3.058 20 30 CGEDMO N#CCC[N@@H+](Cc1ccc(N)nc1)C1CCCCCCC1 ZINC001232368315 818328048 /nfs/dbraw/zinc/32/80/48/818328048.db2.gz VGMJMZVTXDTVRS-UHFFFAOYSA-N 1 1 286.423 3.492 20 30 CGEDMO N#CCC[N@H+](Cc1ccc(N)nc1)C1CCCCCCC1 ZINC001232368315 818328054 /nfs/dbraw/zinc/32/80/54/818328054.db2.gz VGMJMZVTXDTVRS-UHFFFAOYSA-N 1 1 286.423 3.492 20 30 CGEDMO FC(F)(F)c1ccc(C[NH+]2CCC(S)CC2)o1 ZINC001232443685 818351495 /nfs/dbraw/zinc/35/14/95/818351495.db2.gz BJWOHHRIHVYFLV-UHFFFAOYSA-N 1 1 265.300 3.193 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)ccn1)C12CC3CC(CC(C3)C1)C2 ZINC001232481028 818365099 /nfs/dbraw/zinc/36/50/99/818365099.db2.gz QUBVBFBQLHPNHD-UHFFFAOYSA-N 1 1 281.403 3.354 20 30 CGEDMO COc1cccc(CCC[N@@H+](C)Cc2cc(C#N)ccn2)c1 ZINC001232480401 818365218 /nfs/dbraw/zinc/36/52/18/818365218.db2.gz VKZLLIYKXNGVOE-UHFFFAOYSA-N 1 1 295.386 3.026 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2C#N)CCC[C@]1(C)O ZINC001232604701 818393841 /nfs/dbraw/zinc/39/38/41/818393841.db2.gz FYUWEBBYDQLFLZ-LRDDRELGSA-N 1 1 292.810 3.195 20 30 CGEDMO COc1ccc([C@@H](C)[N@@H+](C)Cc2cc(C#N)ccc2[O-])cc1 ZINC001232678757 818417901 /nfs/dbraw/zinc/41/79/01/818417901.db2.gz OVWIDCGVZWIDNQ-CYBMUJFWSA-N 1 1 296.370 3.465 20 30 CGEDMO C[N@@H+](C/C=C/c1ccccc1)Cc1cc(C#N)ccc1[O-] ZINC001232678790 818417978 /nfs/dbraw/zinc/41/79/78/818417978.db2.gz PYKCTDHRSLRYPI-VMPITWQZSA-N 1 1 278.355 3.409 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](Cc2cccc3ncsc32)C1 ZINC001232737731 818429483 /nfs/dbraw/zinc/42/94/83/818429483.db2.gz JEWQNYXDBRAGFI-CQSZACIVSA-N 1 1 257.362 3.032 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](Cc2cccc3ncsc32)C1 ZINC001232737731 818429486 /nfs/dbraw/zinc/42/94/86/818429486.db2.gz JEWQNYXDBRAGFI-CQSZACIVSA-N 1 1 257.362 3.032 20 30 CGEDMO Cc1cc(C[N@@H+]2CCC[C@@H](C#N)CC2)c(F)cc1F ZINC001232783165 818437494 /nfs/dbraw/zinc/43/74/94/818437494.db2.gz SSLGBWATBHXUCI-GFCCVEGCSA-N 1 1 264.319 3.399 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@@H](C#N)CC2)c(F)cc1F ZINC001232783165 818437499 /nfs/dbraw/zinc/43/74/99/818437499.db2.gz SSLGBWATBHXUCI-GFCCVEGCSA-N 1 1 264.319 3.399 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCCCO3)c(C#N)c1 ZINC001232964287 818484617 /nfs/dbraw/zinc/48/46/17/818484617.db2.gz UOJCBSGQCKZUEG-QGZVFWFLSA-N 1 1 270.376 3.012 20 30 CGEDMO COC(C)(C)[C@H]1CCC[N@H+]1Cc1ccc(C)cc1C#N ZINC001232966723 818485158 /nfs/dbraw/zinc/48/51/58/818485158.db2.gz SPRMSTNCNQJSKK-MRXNPFEDSA-N 1 1 272.392 3.256 20 30 CGEDMO Cc1ccc(C[NH+]2CC(C)(C)OC(C)(C)C2)c(C#N)c1 ZINC001232968026 818485205 /nfs/dbraw/zinc/48/52/05/818485205.db2.gz AQEKLVGRITUYOI-UHFFFAOYSA-N 1 1 272.392 3.256 20 30 CGEDMO Cc1ncc(F)cc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC001232988910 818493805 /nfs/dbraw/zinc/49/38/05/818493805.db2.gz KJVZTSVLOYBDDO-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO Cc1ncc(F)cc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001232988910 818493811 /nfs/dbraw/zinc/49/38/11/818493811.db2.gz KJVZTSVLOYBDDO-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(O)c(OCC3CC3)c2)C1 ZINC001233229771 818546440 /nfs/dbraw/zinc/54/64/40/818546440.db2.gz OPKKSQRLFJLXHI-AWEZNQCLSA-N 1 1 285.387 3.026 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)c([O-])c1 ZINC001233387208 818606128 /nfs/dbraw/zinc/60/61/28/818606128.db2.gz ZSKDHTGRFGMMSQ-HNNXBMFYSA-N 1 1 296.345 3.392 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)c(O)c1 ZINC001233387208 818606131 /nfs/dbraw/zinc/60/61/31/818606131.db2.gz ZSKDHTGRFGMMSQ-HNNXBMFYSA-N 1 1 296.345 3.392 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)c(O)c1 ZINC001233387208 818606135 /nfs/dbraw/zinc/60/61/35/818606135.db2.gz ZSKDHTGRFGMMSQ-HNNXBMFYSA-N 1 1 296.345 3.392 20 30 CGEDMO C[N@@H+](C/C=C/c1ccccc1)Cc1ccc(C#N)cc1[O-] ZINC001233386953 818607498 /nfs/dbraw/zinc/60/74/98/818607498.db2.gz OPCVCLFSYVGRHI-VMPITWQZSA-N 1 1 278.355 3.409 20 30 CGEDMO C[N@H+](C/C=C/c1ccccc1)Cc1ccc(C#N)cc1O ZINC001233386953 818607503 /nfs/dbraw/zinc/60/75/03/818607503.db2.gz OPCVCLFSYVGRHI-VMPITWQZSA-N 1 1 278.355 3.409 20 30 CGEDMO C[N@@H+](C/C=C/c1ccccc1)Cc1ccc(C#N)cc1O ZINC001233386953 818607506 /nfs/dbraw/zinc/60/75/06/818607506.db2.gz OPCVCLFSYVGRHI-VMPITWQZSA-N 1 1 278.355 3.409 20 30 CGEDMO CC[N@H+](CCC#N)Cc1ccc(C(F)(F)F)cc1O ZINC001233453997 818624210 /nfs/dbraw/zinc/62/42/10/818624210.db2.gz CECDBOLIGCPPQN-UHFFFAOYSA-N 1 1 272.270 3.147 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1ccc(C(F)(F)F)cc1O ZINC001233453997 818624213 /nfs/dbraw/zinc/62/42/13/818624213.db2.gz CECDBOLIGCPPQN-UHFFFAOYSA-N 1 1 272.270 3.147 20 30 CGEDMO C[N@H+]1CCC[C@@H](Oc2ccc3sc(C#N)nc3c2)CC1 ZINC001233698265 818684496 /nfs/dbraw/zinc/68/44/96/818684496.db2.gz NSWRJUSJFAECFJ-LLVKDONJSA-N 1 1 287.388 3.031 20 30 CGEDMO C#CCCCCC(=O)N(C)C[C@@H]1CC[N@H+]1CCC(C)(C)C ZINC001233762242 818700485 /nfs/dbraw/zinc/70/04/85/818700485.db2.gz RHPNJECEFLVEQX-INIZCTEOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC(CC=C)C(=O)N(C)C[C@H]1CC[N@@H+]1CC[C@H](C)F ZINC001234518947 818871861 /nfs/dbraw/zinc/87/18/61/818871861.db2.gz YMLINLYCPXNYKV-GOEBONIOSA-N 1 1 296.430 3.036 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCCC[C@@H](C)CC ZINC001234547911 818880536 /nfs/dbraw/zinc/88/05/36/818880536.db2.gz VZXLXCLYHUGASX-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC001234604552 818889940 /nfs/dbraw/zinc/88/99/40/818889940.db2.gz QFGHWLXJEXUYAE-KRWDZBQOSA-N 1 1 286.419 3.076 20 30 CGEDMO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCCC1 ZINC001234614496 818892584 /nfs/dbraw/zinc/89/25/84/818892584.db2.gz SUNMNWXOMJFWKF-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCCCCCCCC[N@H+]1CC[C@@H]2OCCN[C@H]2C1 ZINC001235205926 819037416 /nfs/dbraw/zinc/03/74/16/819037416.db2.gz IXFKWOIGCZAHJB-ROUUACIJSA-N 1 1 294.483 3.356 20 30 CGEDMO C=CCCCCCCCCCN1CC[C@@H]2OCC[NH2+][C@H]2C1 ZINC001235205926 819037420 /nfs/dbraw/zinc/03/74/20/819037420.db2.gz IXFKWOIGCZAHJB-ROUUACIJSA-N 1 1 294.483 3.356 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(C)CCCCCC1 ZINC001235455154 819102717 /nfs/dbraw/zinc/10/27/17/819102717.db2.gz OVJRBZBZEUPBLA-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1(C)CCCCCC1 ZINC001235455109 819102881 /nfs/dbraw/zinc/10/28/81/819102881.db2.gz OSJVGQIDRYKLJT-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(C)CCCCCC1 ZINC001235455109 819102883 /nfs/dbraw/zinc/10/28/83/819102883.db2.gz OSJVGQIDRYKLJT-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO N#CCc1ccccc1C[N@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001235523761 819114020 /nfs/dbraw/zinc/11/40/20/819114020.db2.gz UGMKINHOWAZYBT-LJQANCHMSA-N 1 1 291.398 3.355 20 30 CGEDMO C[N@@H+](Cc1cccs1)Cc1ccccc1CC#N ZINC001235523937 819114758 /nfs/dbraw/zinc/11/47/58/819114758.db2.gz WVPRBVBOHCRIHG-UHFFFAOYSA-N 1 1 256.374 3.446 20 30 CGEDMO CC1(C)CC[NH+](Cc2c(F)cc(C#N)cc2F)CC1 ZINC001235656474 819130351 /nfs/dbraw/zinc/13/03/51/819130351.db2.gz FXMOGJYWBOMXSZ-UHFFFAOYSA-N 1 1 264.319 3.458 20 30 CGEDMO C=CCCCCC[N@H+]1CCN[C@H](c2ccccc2)C1 ZINC001235860263 819187947 /nfs/dbraw/zinc/18/79/47/819187947.db2.gz SNLWNHYIJGMYAD-KRWDZBQOSA-N 1 1 258.409 3.379 20 30 CGEDMO C=CCCCCCN1CC[NH2+][C@H](c2ccccc2)C1 ZINC001235860263 819187951 /nfs/dbraw/zinc/18/79/51/819187951.db2.gz SNLWNHYIJGMYAD-KRWDZBQOSA-N 1 1 258.409 3.379 20 30 CGEDMO Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C#N)CC2)n1 ZINC001236645060 819558986 /nfs/dbraw/zinc/55/89/86/819558986.db2.gz YTKBHHNQGFOFLM-LBPRGKRZSA-N 1 1 263.772 3.169 20 30 CGEDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](C#N)CC2)n1 ZINC001236645060 819558992 /nfs/dbraw/zinc/55/89/92/819558992.db2.gz YTKBHHNQGFOFLM-LBPRGKRZSA-N 1 1 263.772 3.169 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1ccc(CC)cc1O ZINC001236790895 819595693 /nfs/dbraw/zinc/59/56/93/819595693.db2.gz YQXUQBPVGWCBFX-UHFFFAOYSA-N 1 1 260.381 3.470 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(-n3cccn3)c(Cl)c2)C1 ZINC001236900505 819635008 /nfs/dbraw/zinc/63/50/08/819635008.db2.gz FKJWPWWUMBBCLU-AWEZNQCLSA-N 1 1 299.805 3.371 20 30 CGEDMO COc1cccc2c(C[N@H+]3CCC[C@@H](C#N)CC3)ccnc12 ZINC001237117734 819671329 /nfs/dbraw/zinc/67/13/29/819671329.db2.gz UNVYTDSWUGUFGV-CQSZACIVSA-N 1 1 295.386 3.369 20 30 CGEDMO Cc1c(F)c(F)ccc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001237163758 819686291 /nfs/dbraw/zinc/68/62/91/819686291.db2.gz UTTBSDXMZJTDFS-LBPRGKRZSA-N 1 1 264.319 3.399 20 30 CGEDMO C=CC[NH+](CC=C)Cc1ccncc1C(F)(F)F ZINC001237292329 819719046 /nfs/dbraw/zinc/71/90/46/819719046.db2.gz MUTSTFJFAMOAGL-UHFFFAOYSA-N 1 1 256.271 3.274 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@H]3C[C@H]32)c2cc(C#N)ccc21 ZINC001237473348 819759041 /nfs/dbraw/zinc/75/90/41/819759041.db2.gz YBPYCYMSMBOWIU-SUMWQHHRSA-N 1 1 265.360 3.034 20 30 CGEDMO CC1(C)CC[NH+](Cc2cc(C#N)c(F)cc2F)CC1 ZINC001237525259 819772227 /nfs/dbraw/zinc/77/22/27/819772227.db2.gz CGKSRNYCDLFOBW-UHFFFAOYSA-N 1 1 264.319 3.458 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc3ncnc(Cl)c3c2)C1 ZINC001237580931 819781910 /nfs/dbraw/zinc/78/19/10/819781910.db2.gz ZTBVNCXWIMJJSY-GFCCVEGCSA-N 1 1 285.778 3.128 20 30 CGEDMO CC(C)[N@@H+](C)[C@H]1CCN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC001237753684 819837610 /nfs/dbraw/zinc/83/76/10/819837610.db2.gz NJOKRRNDYAHGKM-INIZCTEOSA-N 1 1 291.826 3.126 20 30 CGEDMO C=CC[NH+](CC=C)Cc1ccccc1C(=O)OCC ZINC001237883681 819870184 /nfs/dbraw/zinc/87/01/84/819870184.db2.gz CUOPVHYTVHHTAX-UHFFFAOYSA-N 1 1 259.349 3.037 20 30 CGEDMO COc1ncc(C2CC2)cc1C[NH+]1CCC(C)(C#N)CC1 ZINC001238028562 819917517 /nfs/dbraw/zinc/91/75/17/819917517.db2.gz NCYHLSDXTMCTPV-UHFFFAOYSA-N 1 1 285.391 3.093 20 30 CGEDMO CCCO[C@@H]1CC[N@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238194869 819953065 /nfs/dbraw/zinc/95/30/65/819953065.db2.gz UMCPBRHBFOPJBL-CQSZACIVSA-N 1 1 278.783 3.213 20 30 CGEDMO CCCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238194869 819953070 /nfs/dbraw/zinc/95/30/70/819953070.db2.gz UMCPBRHBFOPJBL-CQSZACIVSA-N 1 1 278.783 3.213 20 30 CGEDMO CC(C)O[C@H]1CC[N@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238198424 819954345 /nfs/dbraw/zinc/95/43/45/819954345.db2.gz KGAMCSDMUQUYCQ-AWEZNQCLSA-N 1 1 278.783 3.211 20 30 CGEDMO CC(C)O[C@H]1CC[N@@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238198424 819954351 /nfs/dbraw/zinc/95/43/51/819954351.db2.gz KGAMCSDMUQUYCQ-AWEZNQCLSA-N 1 1 278.783 3.211 20 30 CGEDMO COc1c(Cl)ccc(F)c1C[NH+]1CCC(S)CC1 ZINC001238340823 819978207 /nfs/dbraw/zinc/97/82/07/819978207.db2.gz JDKBUVBSVDLOAT-UHFFFAOYSA-N 1 1 289.803 3.382 20 30 CGEDMO CCc1cc(C[N@H+]2CCc3cc(O)ccc3C2)ccc1C#N ZINC001238761827 820110768 /nfs/dbraw/zinc/11/07/68/820110768.db2.gz XYCOXLXJUUGTDJ-UHFFFAOYSA-N 1 1 292.382 3.385 20 30 CGEDMO Cc1cc(-c2ccc(C#N)c(F)c2)cn2cc[nH+]c12 ZINC001240155044 820863120 /nfs/dbraw/zinc/86/31/20/820863120.db2.gz QGSCBLDMFOHJIT-UHFFFAOYSA-N 1 1 251.264 3.321 20 30 CGEDMO Cc1cc2nc[nH]c2cc1-c1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001240345150 820981367 /nfs/dbraw/zinc/98/13/67/820981367.db2.gz BRAFHBPKOCNTCQ-UHFFFAOYSA-N 1 1 288.354 3.097 20 30 CGEDMO N#Cc1cnccc1C1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001240388727 821012318 /nfs/dbraw/zinc/01/23/18/821012318.db2.gz TXFSZULCXOLOCS-UHFFFAOYSA-N 1 1 275.355 3.243 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1c1ccc(-c2ccn(C)c(=O)c2)cc1 ZINC001240998609 821477706 /nfs/dbraw/zinc/47/77/06/821477706.db2.gz ZNXIPRVKHJEFRW-GOSISDBHSA-N 1 1 294.398 3.375 20 30 CGEDMO Cc1[nH+]ccn1-c1ccc(-c2cc(Cl)cc(C#N)c2)nn1 ZINC001242568733 823037418 /nfs/dbraw/zinc/03/74/18/823037418.db2.gz RBKSLOCRXVFDBX-UHFFFAOYSA-N 1 1 295.733 3.163 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)C/C=C/c2cccc(F)c2)n1 ZINC001338262075 936314383 /nfs/dbraw/zinc/31/43/83/936314383.db2.gz FOJRVXWWDXUPIR-SOFGYWHQSA-N 1 1 297.377 3.191 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)C/C=C/c2cccc(F)c2)n1 ZINC001338262075 936314386 /nfs/dbraw/zinc/31/43/86/936314386.db2.gz FOJRVXWWDXUPIR-SOFGYWHQSA-N 1 1 297.377 3.191 20 30 CGEDMO Cc1ccc([C@H](C)C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC001338289906 936315345 /nfs/dbraw/zinc/31/53/45/936315345.db2.gz UQGUYDKYCGFQTF-ZACQAIPSSA-N 1 1 285.435 3.017 20 30 CGEDMO C=CCn1cnn(C[N@H+]2CCC[C@@H]2[C@@H](C)CCC)c1=S ZINC001340590750 936408464 /nfs/dbraw/zinc/40/84/64/936408464.db2.gz UNAOPITTXVYQMX-UONOGXRCSA-N 1 1 294.468 3.458 20 30 CGEDMO C=CCn1cnn(C[N@@H+]2CCC[C@@H]2[C@@H](C)CCC)c1=S ZINC001340590750 936408465 /nfs/dbraw/zinc/40/84/65/936408465.db2.gz UNAOPITTXVYQMX-UONOGXRCSA-N 1 1 294.468 3.458 20 30 CGEDMO C=C[C@@H](C(=O)NCCCCn1cc[nH+]c1C)c1ccccc1 ZINC001346518157 936851283 /nfs/dbraw/zinc/85/12/83/936851283.db2.gz IPBZNEQKNYICTI-QGZVFWFLSA-N 1 1 297.402 3.058 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@H](NC(=O)C2CCC(=C)CC2)C1 ZINC001479909829 936922975 /nfs/dbraw/zinc/92/29/75/936922975.db2.gz SJZJRKKUXPDEAA-KRWDZBQOSA-N 1 1 290.451 3.280 20 30 CGEDMO CC[C@H]([NH2+]Cc1ccncc1C#N)c1ccc(F)cc1 ZINC001349099610 936943172 /nfs/dbraw/zinc/94/31/72/936943172.db2.gz PYALNVRMHCYIQQ-INIZCTEOSA-N 1 1 269.323 3.333 20 30 CGEDMO C=C1CCC(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001350572838 936994754 /nfs/dbraw/zinc/99/47/54/936994754.db2.gz FCNQEVFJHLDSTN-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C#CCOCC[N@H+]1C[C@@H]2CCCC[C@@]21c1ccccc1 ZINC001350364558 936989804 /nfs/dbraw/zinc/98/98/04/936989804.db2.gz MTSBESDCNLIJAC-ZWKOTPCHSA-N 1 1 269.388 3.038 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccsc1C ZINC001480861991 926679567 /nfs/dbraw/zinc/67/95/67/926679567.db2.gz HCHXSKDEWJAJES-GFCCVEGCSA-N 1 1 280.437 3.073 20 30 CGEDMO COC(=O)[C@@H]1CCCCC[N@H+]1CCCCC1(C#N)CCC1 ZINC001354572629 937106315 /nfs/dbraw/zinc/10/63/15/937106315.db2.gz QVCVCPIINMHRFC-HNNXBMFYSA-N 1 1 292.423 3.268 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)C1CCC(C2CC2)CC1 ZINC001480941918 926830302 /nfs/dbraw/zinc/83/03/02/926830302.db2.gz JQYKAHGHQICDJX-UHFFFAOYSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)C1CCCC1 ZINC001481044502 926870711 /nfs/dbraw/zinc/87/07/11/926870711.db2.gz PYTWCZRIDVRPEF-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)CC(C)=C(C)C ZINC001481054260 926871358 /nfs/dbraw/zinc/87/13/58/926871358.db2.gz XVNOMMVIXXFROX-CQSZACIVSA-N 1 1 284.831 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)CC(C)=C(C)C ZINC001481054260 926871369 /nfs/dbraw/zinc/87/13/69/926871369.db2.gz XVNOMMVIXXFROX-CQSZACIVSA-N 1 1 284.831 3.066 20 30 CGEDMO C=C[C@H](C(=O)NCC[N@H+](CC(=C)C)C1CC1)c1ccccc1 ZINC001481200506 926906954 /nfs/dbraw/zinc/90/69/54/926906954.db2.gz OIKJUMGDAOLTHC-SFHVURJKSA-N 1 1 298.430 3.113 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)C1C=CC=CC=C1)C(C)C ZINC001481352478 926966096 /nfs/dbraw/zinc/96/60/96/926966096.db2.gz ZERUUAVZGINAIU-UHFFFAOYSA-N 1 1 288.435 3.078 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCC[C@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC001481446544 926985850 /nfs/dbraw/zinc/98/58/50/926985850.db2.gz IBXQIWIFBBTXOD-ZJIBPLLGSA-N 1 1 298.858 3.169 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](CCNC(=O)c2csc(Cl)c2)C1 ZINC001481452375 926987507 /nfs/dbraw/zinc/98/75/07/926987507.db2.gz VJYCYHPILUBLCP-LLVKDONJSA-N 1 1 298.839 3.029 20 30 CGEDMO C=C(C)CCC(=O)N1CCC(C[N@H+](C)CC(=C)C)CC1 ZINC001481514326 927010230 /nfs/dbraw/zinc/01/02/30/927010230.db2.gz ASALYSXBOSIELB-UHFFFAOYSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[C@@H]2CC)CC1 ZINC001481518268 927011113 /nfs/dbraw/zinc/01/11/13/927011113.db2.gz OLCCLGXHJICTQG-DLBZAZTESA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC(C)(C)CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC(CC)CC ZINC001481672222 927054357 /nfs/dbraw/zinc/05/43/57/927054357.db2.gz ZCPCTQIIQMFJMV-HOTGVXAUSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[N@H+](CCCCC)C2)CC1 ZINC001481693009 927061699 /nfs/dbraw/zinc/06/16/99/927061699.db2.gz ROXZPLGOLZJDMI-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)C2(CC)CCCC2)C1 ZINC001481747829 927078243 /nfs/dbraw/zinc/07/82/43/927078243.db2.gz MVVXKABMZLBCKI-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N(C)CC[N@@H+](C)CCC(C)C ZINC001482625040 927330782 /nfs/dbraw/zinc/33/07/82/927330782.db2.gz GXZVVRDFVQBFKE-INIZCTEOSA-N 1 1 268.445 3.025 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)/C=C(\C)CC)CC[C@H]21 ZINC001482663645 927339868 /nfs/dbraw/zinc/33/98/68/927339868.db2.gz WSRWYKJLSUTRKU-IDGBWPAGSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C1(CCF)CC1 ZINC001506569302 927401682 /nfs/dbraw/zinc/40/16/82/927401682.db2.gz GVHQESGTQXQZQR-OAHLLOKOSA-N 1 1 296.430 3.063 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)C(C)=C1CCCC1 ZINC001483326175 927482357 /nfs/dbraw/zinc/48/23/57/927482357.db2.gz DCNOEHARBFYBPA-AWEZNQCLSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)c1ccoc1CC ZINC001483330828 927484074 /nfs/dbraw/zinc/48/40/74/927484074.db2.gz HPPXVYGRUIVULW-KGLIPLIRSA-N 1 1 292.423 3.247 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)C[C@H](C)CC(C)C ZINC001483694144 927578273 /nfs/dbraw/zinc/57/82/73/927578273.db2.gz KGUYLQYKTGMTTF-CVEARBPZSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)c2coc(C)c2)C1 ZINC001484040678 927666789 /nfs/dbraw/zinc/66/67/89/927666789.db2.gz APWXRHKCYQNRQQ-DYVFJYSZSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)C[C@H](C)CCC)C1 ZINC001484033263 927667165 /nfs/dbraw/zinc/66/71/65/927667165.db2.gz BUJKQLQDYZCMRE-NVXWUHKLSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[C@@H](C)CC)C2 ZINC001484390154 927700268 /nfs/dbraw/zinc/70/02/68/927700268.db2.gz JEZSUQFDYFWYDW-NXOAAHMSSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@H+](C)Cc1ccccc1CNC(=O)C1(C)CC=CC1 ZINC001484556986 927720420 /nfs/dbraw/zinc/72/04/20/927720420.db2.gz CHJXIVXIUYNVTD-UHFFFAOYSA-N 1 1 298.430 3.277 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CC(CC)CC)CC1 ZINC001484723161 927742706 /nfs/dbraw/zinc/74/27/06/927742706.db2.gz DMCWMZDZXFNTAH-INIZCTEOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CC(CC)CC)CC1 ZINC001484723162 927742989 /nfs/dbraw/zinc/74/29/89/927742989.db2.gz DMCWMZDZXFNTAH-MRXNPFEDSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@@H+](CC(C)C)CC1(C)C ZINC001484937383 927773223 /nfs/dbraw/zinc/77/32/23/927773223.db2.gz NLYFBAZYQWQDGB-CVEARBPZSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1CC[N@@H+](CC(C)C)CC1(C)C ZINC001484937390 927773429 /nfs/dbraw/zinc/77/34/29/927773429.db2.gz NLYFBAZYQWQDGB-JKSUJKDBSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)/C=C\C(C)(C)C)C[C@H]1C ZINC001484967918 927777254 /nfs/dbraw/zinc/77/72/54/927777254.db2.gz OFLZNOSFHGLFBF-MJYKILKPSA-N 1 1 278.440 3.134 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)C(CCC)CCC)C[C@H]1C ZINC001484976757 927778844 /nfs/dbraw/zinc/77/88/44/927778844.db2.gz OJVDTHLZAWGFGV-WBVHZDCISA-N 1 1 292.467 3.195 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C(C)C)C[C@H]1C ZINC001484984039 927781793 /nfs/dbraw/zinc/78/17/93/927781793.db2.gz YJTRHERSVVBMND-HUUCEWRRSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](CC(C)C)[C@H](C)C1 ZINC001484982090 927781814 /nfs/dbraw/zinc/78/18/14/927781814.db2.gz LINODRDYERBEQX-HUUCEWRRSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)/C(C)=C/C ZINC001485055903 927792704 /nfs/dbraw/zinc/79/27/04/927792704.db2.gz NDYYNLLHRJQSEC-DMNRVOQQSA-N 1 1 278.440 3.230 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]1C[N@H+](C)C[C@H](C)CC ZINC001485058020 927799543 /nfs/dbraw/zinc/79/95/43/927799543.db2.gz HXONZAWLFHHYFT-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1C[N@H+](C)CC(=C)Cl ZINC001485067142 927799750 /nfs/dbraw/zinc/79/97/50/927799750.db2.gz IHSBOPMWVKYAKT-LSDHHAIUSA-N 1 1 298.858 3.264 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC(=C)Cl ZINC001485067142 927799758 /nfs/dbraw/zinc/79/97/58/927799758.db2.gz IHSBOPMWVKYAKT-LSDHHAIUSA-N 1 1 298.858 3.264 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)CC[C@@H](C)CC ZINC001485072090 927802584 /nfs/dbraw/zinc/80/25/84/927802584.db2.gz BDVYQJHSTFTOPX-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)CNC(=O)CC/C=C/c1ccccc1 ZINC001485352492 927853473 /nfs/dbraw/zinc/85/34/73/927853473.db2.gz ZWYZQPJQEBSAGU-OQRGYWNNSA-N 1 1 286.419 3.103 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)c1ccc(C)cc1F ZINC001485358954 927855787 /nfs/dbraw/zinc/85/57/87/927855787.db2.gz UREYEMPUZPZDOF-AWEZNQCLSA-N 1 1 292.398 3.150 20 30 CGEDMO C=CC[C@@H](C(=O)OC)[N@H+]1CC[C@H](C)C2(CCCCC2)C1 ZINC001473405814 937198983 /nfs/dbraw/zinc/19/89/83/937198983.db2.gz LSFXCEJYXYIEGO-GJZGRUSLSA-N 1 1 279.424 3.396 20 30 CGEDMO C=CC[C@H]1[N@H+](CC[S@@](=O)C(F)(F)F)CCCC1(C)C ZINC001473432127 937199211 /nfs/dbraw/zinc/19/92/11/937199211.db2.gz IVONEZNNLFKTKG-NSPYISDASA-N 1 1 297.386 3.322 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)Cc1cc(C(F)(F)F)co1 ZINC001473431756 937199635 /nfs/dbraw/zinc/19/96/35/937199635.db2.gz KKDAQTWGYFZYTO-UHFFFAOYSA-N 1 1 290.329 3.238 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H]1CCCCC[N@H+]1CC(=C)C ZINC001485477882 927875807 /nfs/dbraw/zinc/87/58/07/927875807.db2.gz ZPMMXITUVCBONN-MRXNPFEDSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@H](NC(=O)C2(C)CCC2)C(C)(C)C1 ZINC001485574672 927894121 /nfs/dbraw/zinc/89/41/21/927894121.db2.gz WDURXQXEABPUHW-GJZGRUSLSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CCC2CCC2)[C@H]1C ZINC001486168901 927993173 /nfs/dbraw/zinc/99/31/73/927993173.db2.gz ATMGWJINAYHSCF-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)CC(C)(C)CC)[C@@H]1C ZINC001486174567 927997598 /nfs/dbraw/zinc/99/75/98/927997598.db2.gz XEYREWBPGXHYAL-GJZGRUSLSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C2(C3CC3)CC2)[C@@H]1C ZINC001486176899 927998112 /nfs/dbraw/zinc/99/81/12/927998112.db2.gz MADMKBOUJQXXHG-GOEBONIOSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H](C)C1CC[NH+](CC(=C)Cl)CC1 ZINC001486446792 928024552 /nfs/dbraw/zinc/02/45/52/928024552.db2.gz ZSBTTXPZKMUBIW-AWEZNQCLSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC)CCCC ZINC001230845023 928072868 /nfs/dbraw/zinc/07/28/68/928072868.db2.gz UXXXYRCLQIPGIR-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](CCC)C(C)C)C1 ZINC001480737136 937236059 /nfs/dbraw/zinc/23/60/59/937236059.db2.gz WBVQYTDJXITMCX-IRXDYDNUSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@H+](CCCC)CC(C)(C)C1 ZINC001489343210 928330537 /nfs/dbraw/zinc/33/05/37/928330537.db2.gz DNRKNLMZGSWAAI-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@@H+](C)CCCNC(=O)c1ccc(C)c(F)c1 ZINC001490222841 928337992 /nfs/dbraw/zinc/33/79/92/928337992.db2.gz UJQHLTWLSUXUMV-UHFFFAOYSA-N 1 1 292.398 3.152 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCCNC(=O)[C@@H]1CC12CCCC2 ZINC001490354636 928357029 /nfs/dbraw/zinc/35/70/29/928357029.db2.gz IBUATIDKQNJSLY-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)C2CC3(CC3)C2)C1 ZINC001490448553 928358791 /nfs/dbraw/zinc/35/87/91/928358791.db2.gz APXCPTNTEMZWRH-HOCLYGCPSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)c2oc(C)cc2C)C1 ZINC001490434100 928361610 /nfs/dbraw/zinc/36/16/10/928361610.db2.gz KKJIGISPLGAOSO-OAHLLOKOSA-N 1 1 290.407 3.057 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)CC)C1 ZINC001490426820 928365251 /nfs/dbraw/zinc/36/52/51/928365251.db2.gz FVCBPWZUHDXWGJ-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H](CCC)C(C)C)C1 ZINC001490563776 928373678 /nfs/dbraw/zinc/37/36/78/928373678.db2.gz XGUPTPYHJSQXDK-JKSUJKDBSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C[C@H](CC)CC(=O)N(CCC)[C@H]1CC[N@@H+](CC2CC2)C1 ZINC001317764384 928397704 /nfs/dbraw/zinc/39/77/04/928397704.db2.gz YYXPTQFEPMVCBO-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CC)CCNC(=O)c1[nH]c(C)cc1C ZINC001492975413 937244816 /nfs/dbraw/zinc/24/48/16/937244816.db2.gz YCYVMRNFKVPYKT-OAHLLOKOSA-N 1 1 291.439 3.038 20 30 CGEDMO C#CC[N@H+](Cc1cc2cccc(OC)c2o1)CC1CC1 ZINC001319841270 928483982 /nfs/dbraw/zinc/48/39/82/928483982.db2.gz ABWZOTKFTRNUMI-UHFFFAOYSA-N 1 1 269.344 3.287 20 30 CGEDMO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C/C=C\C)C(=O)OCC)C1 ZINC001308740023 928540898 /nfs/dbraw/zinc/54/08/98/928540898.db2.gz BIZFKNBSBVOZBN-OLCROJSASA-N 1 1 265.397 3.219 20 30 CGEDMO C=CCN(C(=O)[C@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1 ZINC001468643465 928808137 /nfs/dbraw/zinc/80/81/37/928808137.db2.gz BADSTNZPZVVVGI-OAHLLOKOSA-N 1 1 272.392 3.078 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](CNC(=O)C(CC)(CC)CC)C1 ZINC001491126780 928833534 /nfs/dbraw/zinc/83/35/34/928833534.db2.gz SUBMPIMUNJHODU-HNNXBMFYSA-N 1 1 280.456 3.217 20 30 CGEDMO CC#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CCCC(C)C)C1 ZINC001491295471 928854671 /nfs/dbraw/zinc/85/46/71/928854671.db2.gz BIPCWTVHDRMUKA-IRXDYDNUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CCC2(C)CC2)C1 ZINC001491295401 928854807 /nfs/dbraw/zinc/85/48/07/928854807.db2.gz JNHKXVKHZHBBIA-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO Cc1cc(NCCCC[N@@H+]2CCC[C@H](C)C2)ncc1C#N ZINC001458113641 937451473 /nfs/dbraw/zinc/45/14/73/937451473.db2.gz NSGMVPKGSIBGCS-AWEZNQCLSA-N 1 1 286.423 3.186 20 30 CGEDMO C=CCOCC[N@H+](CCC)[C@@H]1C[C@H](OCC)C1(C)C ZINC001459533021 937491288 /nfs/dbraw/zinc/49/12/88/937491288.db2.gz MXDYEFOLBKKSOT-CABCVRRESA-N 1 1 269.429 3.105 20 30 CGEDMO C#CC[N@H+](C[C@H](OC)C1CCCC1)C1CCCCC1 ZINC001459394095 937487324 /nfs/dbraw/zinc/48/73/24/937487324.db2.gz URPMSLDFSRMPMM-KRWDZBQOSA-N 1 1 263.425 3.460 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C)CCCCCCNC(=O)OC(C)(C)C ZINC001459418602 937488305 /nfs/dbraw/zinc/48/83/05/937488305.db2.gz LWLAAHSAKUUDEC-AWEZNQCLSA-N 1 1 297.443 3.163 20 30 CGEDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001459601216 937493431 /nfs/dbraw/zinc/49/34/31/937493431.db2.gz BYXCDDRRDXBBQX-HZPDHXFCSA-N 1 1 292.810 3.337 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CC[C@H](N(C)Cc2ccccc2)C1 ZINC001459623316 937494366 /nfs/dbraw/zinc/49/43/66/937494366.db2.gz XKPRRAXPTVECRT-WBVHZDCISA-N 1 1 258.409 3.157 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1Cc1cc(F)ccc1F ZINC001460303782 937525731 /nfs/dbraw/zinc/52/57/31/937525731.db2.gz QHEBPSOXJDTJGX-CVEARBPZSA-N 1 1 295.373 3.299 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC001460373290 937529473 /nfs/dbraw/zinc/52/94/73/937529473.db2.gz YFAZVZNLULXHMX-FUHWJXTLSA-N 1 1 272.436 3.200 20 30 CGEDMO CC#CC[N@@H+](Cc1ccccc1)[C@H](CO)c1ccccc1 ZINC001460630497 937537484 /nfs/dbraw/zinc/53/74/84/937537484.db2.gz FSOZTMWOFVBFKW-LJQANCHMSA-N 1 1 279.383 3.246 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCCC[C@@H]1CC1(O)CCCCC1 ZINC001460765393 937544189 /nfs/dbraw/zinc/54/41/89/937544189.db2.gz XTTBYKZLVSWNGG-SJORKVTESA-N 1 1 295.467 3.253 20 30 CGEDMO C#CC[N@@H+](C[C@@H]1CCCOC1)[C@H]1CCCc2ccccc21 ZINC001460835175 937547945 /nfs/dbraw/zinc/54/79/45/937547945.db2.gz JICXNYIRZRYDAH-LPHOPBHVSA-N 1 1 283.415 3.426 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc(F)c1 ZINC001460890629 937550871 /nfs/dbraw/zinc/55/08/71/937550871.db2.gz OOSKPZIICIDZRD-CVEARBPZSA-N 1 1 263.356 3.290 20 30 CGEDMO N#Cc1ccc2[nH]cc(C[N@H+]3CC[C@@]4(C3)CCCOC4)c2c1 ZINC001140116103 931955678 /nfs/dbraw/zinc/95/56/78/931955678.db2.gz RICOSUHGJISPHT-GOSISDBHSA-N 1 1 295.386 3.042 20 30 CGEDMO Cc1ccc(C)c(C[N@H+]2CCc3ccc(C#N)cc3C2)c1O ZINC001140178248 931956897 /nfs/dbraw/zinc/95/68/97/931956897.db2.gz FJVVJCJXJHUTOH-UHFFFAOYSA-N 1 1 292.382 3.439 20 30 CGEDMO CO[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2Cl)CC1 ZINC001140602569 931959436 /nfs/dbraw/zinc/95/94/36/931959436.db2.gz MZPVYRNPCUIFQO-CQSZACIVSA-N 1 1 278.783 3.213 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1[C@H](CCc1ccccc1)C(=O)OCC ZINC001460912028 937552711 /nfs/dbraw/zinc/55/27/11/937552711.db2.gz XYBBMUVZFVKQMK-IAGOWNOFSA-N 1 1 287.403 3.201 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@H](CCc1ccccc1)C(=O)OCC ZINC001460912028 937552712 /nfs/dbraw/zinc/55/27/12/937552712.db2.gz XYBBMUVZFVKQMK-IAGOWNOFSA-N 1 1 287.403 3.201 20 30 CGEDMO Cc1cc([C@H]2CCCC[N@@H+]2Cc2ccc(C#N)cc2)[nH]n1 ZINC001460835152 937547788 /nfs/dbraw/zinc/54/77/88/937547788.db2.gz OWTRXRGLKPSTDW-QGZVFWFLSA-N 1 1 280.375 3.317 20 30 CGEDMO Cc1cc([C@H]2CCCC[N@H+]2Cc2ccc(C#N)cc2)[nH]n1 ZINC001460835152 937547791 /nfs/dbraw/zinc/54/77/91/937547791.db2.gz OWTRXRGLKPSTDW-QGZVFWFLSA-N 1 1 280.375 3.317 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cc(F)cc(OCC)c2)C1 ZINC001330619354 932042533 /nfs/dbraw/zinc/04/25/33/932042533.db2.gz NEVJGRZONPRBQM-OAHLLOKOSA-N 1 1 279.355 3.001 20 30 CGEDMO C[N@H+]1CCc2cc(O[C@@H](C#N)c3ccccc3F)ccc2C1 ZINC001228945992 932056657 /nfs/dbraw/zinc/05/66/57/932056657.db2.gz ZGXLFNPEPKAYOH-SFHVURJKSA-N 1 1 296.345 3.457 20 30 CGEDMO CC(C)(C)c1cc(C#N)ccc1O[C@H]1CCc2[nH+]ccn2C1 ZINC001228994526 932068080 /nfs/dbraw/zinc/06/80/80/932068080.db2.gz CTZUWACGZSJXDS-AWEZNQCLSA-N 1 1 295.386 3.446 20 30 CGEDMO C=CCC[C@@H]1CCCN1C(=O)N[C@H](C)C[N@H+](CC)CCC ZINC001229352742 932138938 /nfs/dbraw/zinc/13/89/38/932138938.db2.gz XVCZPVUYFWARPO-HZPDHXFCSA-N 1 1 295.471 3.247 20 30 CGEDMO C#CC[N@H+](CCc1ccc(F)cc1Cl)CC1CC1 ZINC001461923851 937606858 /nfs/dbraw/zinc/60/68/58/937606858.db2.gz CDJOTRIMEMBMFO-UHFFFAOYSA-N 1 1 265.759 3.367 20 30 CGEDMO C#CC[N@H+](CC)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC001461991523 937611560 /nfs/dbraw/zinc/61/15/60/937611560.db2.gz YWKPAWHBXVWWJL-UHFFFAOYSA-N 1 1 275.392 3.153 20 30 CGEDMO C=CCCCC(=O)N1CCC([C@@H]2CCC[N@@H+]2CCF)CC1 ZINC001230592127 932595434 /nfs/dbraw/zinc/59/54/34/932595434.db2.gz SHMUTOREWZBXKK-INIZCTEOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C)s1 ZINC001230633607 932601204 /nfs/dbraw/zinc/60/12/04/932601204.db2.gz JGBSRPLNTGMOTN-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)CC1CCCCC1 ZINC001230701087 932611560 /nfs/dbraw/zinc/61/15/60/932611560.db2.gz BLIUCBFUCRUIAD-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)c1occc1C ZINC001230762011 932620266 /nfs/dbraw/zinc/62/02/66/932620266.db2.gz DVZYYPUJVWRVLO-HUUCEWRRSA-N 1 1 290.407 3.089 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CSC(C)C ZINC001230823434 932627753 /nfs/dbraw/zinc/62/77/53/932627753.db2.gz HFDZPBNTZKLSRM-LSDHHAIUSA-N 1 1 298.496 3.015 20 30 CGEDMO C=CC[N@H+](Cc1cc(C)c(C2OCCO2)cc1C)C1CC1 ZINC001462064517 937615622 /nfs/dbraw/zinc/61/56/22/937615622.db2.gz UAVKFFSMYZLRLP-UHFFFAOYSA-N 1 1 287.403 3.499 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)/C(C)=C\CC ZINC001231004673 932655965 /nfs/dbraw/zinc/65/59/65/932655965.db2.gz MQIZUSAOFQFYJI-RPZAIAHZSA-N 1 1 278.440 3.230 20 30 CGEDMO CCOC[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(C#N)s1)C2 ZINC001232843305 932683243 /nfs/dbraw/zinc/68/32/43/932683243.db2.gz VLSAUIVVQCUQLA-CJNGLKHVSA-N 1 1 290.432 3.258 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+](CCN(C)C)CC(C)C ZINC001462208720 937625646 /nfs/dbraw/zinc/62/56/46/937625646.db2.gz YXYSJQNCJHFGIF-UHFFFAOYSA-N 1 1 287.451 3.195 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN(CC[NH+](C)C)CC(C)C ZINC001462208720 937625648 /nfs/dbraw/zinc/62/56/48/937625648.db2.gz YXYSJQNCJHFGIF-UHFFFAOYSA-N 1 1 287.451 3.195 20 30 CGEDMO N#C[C@H]1CC[C@H]([NH2+]Cc2c(Cl)cncc2Cl)C1 ZINC001254643931 932725306 /nfs/dbraw/zinc/72/53/06/932725306.db2.gz SDUMHGNTYYBNCI-IUCAKERBSA-N 1 1 270.163 3.170 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1cccc(Oc2ccccn2)c1 ZINC001462157962 937621462 /nfs/dbraw/zinc/62/14/62/937621462.db2.gz PCRVPYTYNSDXJJ-CQSZACIVSA-N 1 1 266.344 3.327 20 30 CGEDMO CCC/C=C\CC[N@@H+](C)CCCNC(=O)C#CC(C)(C)C ZINC001264985360 932741471 /nfs/dbraw/zinc/74/14/71/932741471.db2.gz VOEVOXJYNGXRIG-HJWRWDBZSA-N 1 1 292.467 3.220 20 30 CGEDMO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](C)CCCCC ZINC001316603795 932747378 /nfs/dbraw/zinc/74/73/78/932747378.db2.gz RALIBGWDUCZDJA-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](C)CCCCC ZINC001316603795 932747381 /nfs/dbraw/zinc/74/73/81/932747381.db2.gz RALIBGWDUCZDJA-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)C[N@@H+](CCCC(F)(F)F)Cc1ccc(CO)o1 ZINC001333767362 932761748 /nfs/dbraw/zinc/76/17/48/932761748.db2.gz LHMZSOYVFIYWIL-UHFFFAOYSA-N 1 1 291.313 3.493 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)/C=C/C(C)(C)C)C1 ZINC001491917254 932796847 /nfs/dbraw/zinc/79/68/47/932796847.db2.gz URRQITLTBHVFNA-AUECHBEKSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@H]([N@@H+](C)CCC2CC2)C1 ZINC001491951736 932797865 /nfs/dbraw/zinc/79/78/65/932797865.db2.gz LJTIDEAMOHWJOX-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC23CC3)C1 ZINC001491931581 932798327 /nfs/dbraw/zinc/79/83/27/932798327.db2.gz BCFLFBHSRHFJER-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CCCNC(=O)C1=CCCC1 ZINC001492147603 932807440 /nfs/dbraw/zinc/80/74/40/932807440.db2.gz HYSPKHCVJRMFTM-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)C1=CCCCCC1 ZINC001492235038 932812275 /nfs/dbraw/zinc/81/22/75/932812275.db2.gz YDGGIUNSRDSSMG-OAHLLOKOSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)C(F)=C2CCCC2)C1 ZINC001317369721 932855708 /nfs/dbraw/zinc/85/57/08/932855708.db2.gz HDPYIIMHBMWNHW-HNNXBMFYSA-N 1 1 294.414 3.283 20 30 CGEDMO C#CC[C@H]1CC[N@H+](CCCc2ccc(F)c(F)c2)C1 ZINC001462461020 937642979 /nfs/dbraw/zinc/64/29/79/937642979.db2.gz LXULXJBILXXEQG-AWEZNQCLSA-N 1 1 263.331 3.243 20 30 CGEDMO C#CC[N@H+](C[C@H](O)CCC(C)C)C1CCCCC1 ZINC001307445315 932953637 /nfs/dbraw/zinc/95/36/37/932953637.db2.gz YZRYPZMFUGHDKM-MRXNPFEDSA-N 1 1 251.414 3.051 20 30 CGEDMO C#CC[N@@H+](CC1CC1)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC001307587685 932973355 /nfs/dbraw/zinc/97/33/55/932973355.db2.gz CQBWJFHJXYHKOS-CYBMUJFWSA-N 1 1 272.348 3.309 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCO[C@H](C(C)C)C1 ZINC001307608048 932976477 /nfs/dbraw/zinc/97/64/77/932976477.db2.gz HKEWBYIDDFYMGF-KRWDZBQOSA-N 1 1 272.392 3.032 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(C(=O)OC(C)C)cc2)C1 ZINC001307871822 933012376 /nfs/dbraw/zinc/01/23/76/933012376.db2.gz HINDBVAZHZYGRZ-MRXNPFEDSA-N 1 1 299.414 3.487 20 30 CGEDMO C=C(C)C[C@H]([NH2+]C1C[C@H](C)C[C@@H](C)C1)C(=O)OCC ZINC001462551156 937649912 /nfs/dbraw/zinc/64/99/12/937649912.db2.gz UXDGXHUFVFVMAN-NFAWXSAZSA-N 1 1 267.413 3.299 20 30 CGEDMO N#Cc1ccnc(C[N@H+]2CCCC[C@H]2C2CCC2)c1 ZINC001307902838 933017079 /nfs/dbraw/zinc/01/70/79/933017079.db2.gz CDIFHZWLXVNTLW-INIZCTEOSA-N 1 1 255.365 3.108 20 30 CGEDMO C#CCC[N@H+](CCOC)CCC1CCCCCC1 ZINC001307956333 933026947 /nfs/dbraw/zinc/02/69/47/933026947.db2.gz PIMFKYIYWAUMBW-UHFFFAOYSA-N 1 1 251.414 3.319 20 30 CGEDMO CCCCCCCCC[N@H+]1CCCn2nncc2C1 ZINC001308081758 933046722 /nfs/dbraw/zinc/04/67/22/933046722.db2.gz LKBSMNSMTVHBBV-UHFFFAOYSA-N 1 1 264.417 3.234 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@H+](CCN(C)Cc2cc(C#N)cs2)C1 ZINC001308113349 933052095 /nfs/dbraw/zinc/05/20/95/933052095.db2.gz MLZNPWIZNDVYPJ-OKILXGFUSA-N 1 1 291.464 3.029 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCCSC[C@@H]2C2CC2)cc1F ZINC001308120856 933053207 /nfs/dbraw/zinc/05/32/07/933053207.db2.gz CQTSQRWETLBISI-MRXNPFEDSA-N 1 1 290.407 3.415 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001308124144 933053244 /nfs/dbraw/zinc/05/32/44/933053244.db2.gz JWKODRFEYDEWHF-CABCVRRESA-N 1 1 296.455 3.435 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCCC[C@H]2[C@H]2CCCO2)cc1 ZINC001308158869 933061415 /nfs/dbraw/zinc/06/14/15/933061415.db2.gz FEWAZVOOLXGPCV-ZWKOTPCHSA-N 1 1 284.403 3.134 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1cc(Cl)cc(Cl)c1N ZINC001308283587 933088163 /nfs/dbraw/zinc/08/81/63/933088163.db2.gz ZMNZTQLTTRNRNQ-UHFFFAOYSA-N 1 1 265.571 3.418 20 30 CGEDMO CCSc1cccc(C[NH2+]CC2(C#N)CCOCC2)c1 ZINC001308548983 933129736 /nfs/dbraw/zinc/12/97/36/933129736.db2.gz PAQWWCSLOQZEDJ-UHFFFAOYSA-N 1 1 290.432 3.209 20 30 CGEDMO C=CC[N@H+](Cc1ccc(=O)[nH]c1)Cc1ccccc1F ZINC001308617002 933143157 /nfs/dbraw/zinc/14/31/57/933143157.db2.gz ZRKDHJCXNZJCNE-UHFFFAOYSA-N 1 1 272.323 3.115 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(=O)[nH]c1)Cc1ccccc1F ZINC001308617002 933143163 /nfs/dbraw/zinc/14/31/63/933143163.db2.gz ZRKDHJCXNZJCNE-UHFFFAOYSA-N 1 1 272.323 3.115 20 30 CGEDMO CC(C)CC[N@@H+](C)Cc1cc(C#N)ccc1N(C)C ZINC001308614427 933143516 /nfs/dbraw/zinc/14/35/16/933143516.db2.gz SUYMEBJLSOOTMO-UHFFFAOYSA-N 1 1 259.397 3.102 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)[C@H]2C[C@H](OC)C23CCC3)cc1 ZINC001308768059 933172731 /nfs/dbraw/zinc/17/27/31/933172731.db2.gz YIBSRUXRONHGHQ-IRXDYDNUSA-N 1 1 269.388 3.057 20 30 CGEDMO CC#CC[N@H+](C)Cc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC001308964742 933215248 /nfs/dbraw/zinc/21/52/48/933215248.db2.gz CNQWDAJKSOTHQA-UHFFFAOYSA-N 1 1 297.354 3.188 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@@H]1CNC(=O)C=C1CCC1 ZINC001317497564 933267189 /nfs/dbraw/zinc/26/71/89/933267189.db2.gz SLTQTPCGXDDBJA-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H]1CNC(=O)CC1=CCCCC1 ZINC001317497848 933268454 /nfs/dbraw/zinc/26/84/54/933268454.db2.gz VABVYMGVHKKZJT-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)C=C1CCCCC1 ZINC001317499692 933287691 /nfs/dbraw/zinc/28/76/91/933287691.db2.gz YIHISBTVUZBNPP-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CCC[N@H+](C)CCCNC(=O)C1C[C@@H](C)C[C@H](C)C1 ZINC001316867977 933409894 /nfs/dbraw/zinc/40/98/94/933409894.db2.gz VVHMRBCCJWGBMV-GJZGRUSLSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[N@@H+](C)CCCNC(=O)C1(C)C(C)(C)C1(C)C ZINC001316869536 933438045 /nfs/dbraw/zinc/43/80/45/933438045.db2.gz DSGDCUVYFQONDU-UHFFFAOYSA-N 1 1 280.456 3.073 20 30 CGEDMO C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@](C)(CC)CCC ZINC001328782412 933464073 /nfs/dbraw/zinc/46/40/73/933464073.db2.gz ZZMWLPCGNNZWHZ-FUHWJXTLSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)C1(C)CC(=C)C1 ZINC001328766204 933465034 /nfs/dbraw/zinc/46/50/34/933465034.db2.gz UXZOHUSELLBUSH-MRXNPFEDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCC)C(C)(C)[C@@H]21 ZINC001316722130 933478478 /nfs/dbraw/zinc/47/84/78/933478478.db2.gz YCAJXSYCTOZPJA-DJIMGWMZSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+](CC)CCCNC(=O)c1cc(F)ccc1CC ZINC001316897311 933492181 /nfs/dbraw/zinc/49/21/81/933492181.db2.gz XDKJRVIHEZUPKQ-UHFFFAOYSA-N 1 1 292.398 3.016 20 30 CGEDMO CC#CC[N@@H+](CCCNC(=O)C(C)(C)CC(C)C)C1CC1 ZINC001316929948 933497760 /nfs/dbraw/zinc/49/77/60/933497760.db2.gz KJPSSVUNPSMLNR-UHFFFAOYSA-N 1 1 292.467 3.053 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](CC)CCCC)C1 ZINC001316947964 933499598 /nfs/dbraw/zinc/49/95/98/933499598.db2.gz PQRHUYPYJHGACM-DLBZAZTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H](CCC)CC(C)C)C1 ZINC001316953456 933501826 /nfs/dbraw/zinc/50/18/26/933501826.db2.gz MCBLXKTYXQEXGV-CVEARBPZSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC001316981150 933505957 /nfs/dbraw/zinc/50/59/57/933505957.db2.gz RSEMYIYXPGNWET-KRWDZBQOSA-N 1 1 286.419 3.042 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@H+](CC/C=C\CC)C1 ZINC001316979030 933506109 /nfs/dbraw/zinc/50/61/09/933506109.db2.gz HTLQSVIGTHHLKL-ZPIQOJFGSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)C=C(C)C)C1 ZINC001317134039 933536374 /nfs/dbraw/zinc/53/63/74/933536374.db2.gz SIEMFGACBVUCEY-HOTGVXAUSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)CC(C)=C(C)C)C1 ZINC001317137202 933540398 /nfs/dbraw/zinc/54/03/98/933540398.db2.gz IPRAZLKBPCIQOK-MRXNPFEDSA-N 1 1 278.440 3.137 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@](C)(CC)CCC)C1 ZINC001317144384 933541248 /nfs/dbraw/zinc/54/12/48/933541248.db2.gz SIGXBVNUYZWMTR-FUHWJXTLSA-N 1 1 292.467 3.054 20 30 CGEDMO C=C(C)CCC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@H+]1CCF ZINC001317209898 933554484 /nfs/dbraw/zinc/55/44/84/933554484.db2.gz VKKADCQJASLKEY-HZPDHXFCSA-N 1 1 296.430 3.158 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2(CCC)CCC2)C1 ZINC001317208454 933554525 /nfs/dbraw/zinc/55/45/25/933554525.db2.gz JRXXLCPYIBYQIQ-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)c2cccs2)C1 ZINC001317375945 933580270 /nfs/dbraw/zinc/58/02/70/933580270.db2.gz OVPGYKCXHMSPHE-AWEZNQCLSA-N 1 1 292.448 3.251 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@H](CCC)C(C)C)C1 ZINC001317529624 933613041 /nfs/dbraw/zinc/61/30/41/933613041.db2.gz PPFZXNOULFUQCO-HZPDHXFCSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C1CCC(C(=O)NCC[N@H+](CC[C@@H](C)F)C2CC2)CC1 ZINC001317556789 933621079 /nfs/dbraw/zinc/62/10/79/933621079.db2.gz OYSPWYWLQMXQCY-CQSZACIVSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](CCC)C(C)C)C1 ZINC001317851967 933658626 /nfs/dbraw/zinc/65/86/26/933658626.db2.gz BOZQDPWKFGGLGE-SJORKVTESA-N 1 1 294.483 3.415 20 30 CGEDMO C=C/C(C)=C/CC(=O)N1CC[C@H](C[N@H+](C)CC(=C)Cl)C1 ZINC001317848879 933658633 /nfs/dbraw/zinc/65/86/33/933658633.db2.gz PXNZRPOZURRRSJ-MRHLJLSQSA-N 1 1 296.842 3.042 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC)CC(C)C)C1 ZINC001317857129 933659777 /nfs/dbraw/zinc/65/97/77/933659777.db2.gz OJTQAVBBCKXKOL-SJORKVTESA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)C(C)(C)C=C)C1 ZINC001317940796 933668139 /nfs/dbraw/zinc/66/81/39/933668139.db2.gz MDUFTERZZJQMIR-LSDHHAIUSA-N 1 1 278.440 3.134 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[C@H](C)CC ZINC001318201138 933694390 /nfs/dbraw/zinc/69/43/90/933694390.db2.gz GYQCMQYOUMROIA-IKGGRYGDSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CCC)CC(C)C ZINC001318228881 933699005 /nfs/dbraw/zinc/69/90/05/933699005.db2.gz VOWVLDPHFXXBEA-ULQDDVLXSA-N 1 1 292.467 3.310 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001318273676 933704810 /nfs/dbraw/zinc/70/48/10/933704810.db2.gz VEAVDQUAPGSALS-HZMVEIRTSA-N 1 1 292.467 3.193 20 30 CGEDMO C=CCCC(=O)N(C)[C@@H]1CC[N@H+](C[C@H](C)CC(C)C)C1 ZINC001318385795 933718286 /nfs/dbraw/zinc/71/82/86/933718286.db2.gz JPQUNPMLIVAZPS-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@](C)(F)CCCC)C1 ZINC001318411392 933721975 /nfs/dbraw/zinc/72/19/75/933721975.db2.gz CVPBMLMPJVIKKT-WBVHZDCISA-N 1 1 298.446 3.404 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](N(CC)C(=O)/C(C)=C/C)C1 ZINC001318466129 933730081 /nfs/dbraw/zinc/73/00/81/933730081.db2.gz QMACAMKEJRHCGK-JEYQBLLFSA-N 1 1 278.440 3.230 20 30 CGEDMO C=CCn1cnn(C[N@H+]2CCCC[C@H]2[C@@H](C)CC)c1=S ZINC001318638298 933757326 /nfs/dbraw/zinc/75/73/26/933757326.db2.gz YIIDWANJGHXHBQ-KBPBESRZSA-N 1 1 294.468 3.458 20 30 CGEDMO C=CCn1cnn(C[N@@H+]2CCCC[C@H]2[C@@H](C)CC)c1=S ZINC001318638298 933757334 /nfs/dbraw/zinc/75/73/34/933757334.db2.gz YIIDWANJGHXHBQ-KBPBESRZSA-N 1 1 294.468 3.458 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N2CC[N@H+](CC)[C@H](C)C2)c1 ZINC001467477420 937718339 /nfs/dbraw/zinc/71/83/39/937718339.db2.gz HFZKVYQNBVNSTD-CQSZACIVSA-N 1 1 287.407 3.278 20 30 CGEDMO C=CCC[C@@H]1CCCN1C(=O)NCC[N@H+](C)C1CCCC1 ZINC001468697849 937730875 /nfs/dbraw/zinc/73/08/75/937730875.db2.gz LMWLZTFIKZCYNH-MRXNPFEDSA-N 1 1 293.455 3.001 20 30 CGEDMO C[C@H](N[C@H]1CCCC[C@H]1[NH+](C)C)c1ccc(C#N)cc1 ZINC001320070442 933991963 /nfs/dbraw/zinc/99/19/63/933991963.db2.gz JPIGNOVFVKTPIS-RRQGHBQHSA-N 1 1 271.408 3.082 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC001320084546 933995316 /nfs/dbraw/zinc/99/53/16/933995316.db2.gz ASQGJHWIEYEMQO-CQSZACIVSA-N 1 1 283.318 3.065 20 30 CGEDMO CC[N@H+]1CCC[C@@H](CN[C@H](C)c2ccc(C#N)c(F)c2)C1 ZINC001320096294 933998497 /nfs/dbraw/zinc/99/84/97/933998497.db2.gz RHQNUFMYVVZKSB-KGLIPLIRSA-N 1 1 289.398 3.080 20 30 CGEDMO Cc1nc(N2CCCCC2)sc1C[NH2+]CC(C)(C)C#N ZINC001320140176 934007077 /nfs/dbraw/zinc/00/70/77/934007077.db2.gz RWZDFOWPPDBGRX-UHFFFAOYSA-N 1 1 292.452 3.081 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](CCc2c(F)cccc2Cl)C1 ZINC001320899994 934120548 /nfs/dbraw/zinc/12/05/48/934120548.db2.gz ZSWLPSDKKMSFIV-LBPRGKRZSA-N 1 1 283.774 3.299 20 30 CGEDMO C=C[C@H](COC)[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC001321145953 934156561 /nfs/dbraw/zinc/15/65/61/934156561.db2.gz CMVDMTBXWCCGAJ-SECBINFHSA-N 1 1 278.154 3.423 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)c1ccccc1C ZINC001323177326 934371333 /nfs/dbraw/zinc/37/13/33/934371333.db2.gz JNAYNDBJHZRADZ-CVEARBPZSA-N 1 1 286.419 3.154 20 30 CGEDMO C#CCCCCCC(=O)NC[C@@H]1CC[N@@H+]1CCC(C)(C)C ZINC001323276174 934378761 /nfs/dbraw/zinc/37/87/61/934378761.db2.gz FAHFGXGQMKBALX-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC001323716150 934419851 /nfs/dbraw/zinc/41/98/51/934419851.db2.gz UVTWECFFSLZDPZ-HNNXBMFYSA-N 1 1 283.371 3.322 20 30 CGEDMO C=C(C)C[N@H+](CC1CC1)C1CCN(C(=O)[C@H](F)CC)CC1 ZINC001323734087 934421900 /nfs/dbraw/zinc/42/19/00/934421900.db2.gz VGEVREZSZUPPBE-MRXNPFEDSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@]2(CCN(C(=O)CC3CC3)C2)C1 ZINC001323836999 934431550 /nfs/dbraw/zinc/43/15/50/934431550.db2.gz YOTCHYMPOQQNGA-CRAIPNDOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[C@@H](C)CC)C2)C1 ZINC001323872888 934434994 /nfs/dbraw/zinc/43/49/94/934434994.db2.gz LYJZCHCSTNBCJA-FUHWJXTLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[C@@H]([NH2+][C@H](C)CC1CCCC1)C(=O)OCC ZINC001324625421 934535448 /nfs/dbraw/zinc/53/54/48/934535448.db2.gz NRMYJJRNHULCAT-TZMCWYRMSA-N 1 1 253.386 3.053 20 30 CGEDMO C#CCCCC(=O)N[C@@]1(C)CC[N@H+](CCCC(C)(C)C)C1 ZINC001324608824 934531873 /nfs/dbraw/zinc/53/18/73/934531873.db2.gz RQYIXTWUORAAIZ-SFHVURJKSA-N 1 1 292.467 3.197 20 30 CGEDMO C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H](CC)CCCCC)C1 ZINC001324674475 934545797 /nfs/dbraw/zinc/54/57/97/934545797.db2.gz QIRFMYPFQHQQCP-AEFFLSMTSA-N 1 1 292.467 3.197 20 30 CGEDMO N#Cc1ccc(F)cc1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001472634307 937778850 /nfs/dbraw/zinc/77/88/50/937778850.db2.gz BARAIVGUROSJBT-KRWDZBQOSA-N 1 1 295.361 3.384 20 30 CGEDMO CC[C@@H](C)[N@H+](CC#CCOC)CCc1ccccc1F ZINC001473128477 937793699 /nfs/dbraw/zinc/79/36/99/937793699.db2.gz LBVKYJBJAOXPAL-OAHLLOKOSA-N 1 1 277.383 3.119 20 30 CGEDMO C#CC[N@H+](C[C@@H]1CC[C@@H](C(F)(F)F)O1)C1CCCCC1 ZINC001473137408 937794044 /nfs/dbraw/zinc/79/40/44/937794044.db2.gz UYKZILACBXNOQF-KBPBESRZSA-N 1 1 289.341 3.364 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)C[C@H]1CCCC12CCOCC2 ZINC001473179129 937796080 /nfs/dbraw/zinc/79/60/80/937796080.db2.gz OWQYNGUPNYGGKL-MRXNPFEDSA-N 1 1 278.440 3.455 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@H+]2C[C@H](C)CC[C@H]2C)cc1 ZINC001473183549 937796629 /nfs/dbraw/zinc/79/66/29/937796629.db2.gz BSJNGKJIDKFRFH-HUUCEWRRSA-N 1 1 284.403 3.117 20 30 CGEDMO Cc1cccnc1[C@H]([NH2+]Cc1cc(C#N)ccn1)C(C)C ZINC001473262741 937799401 /nfs/dbraw/zinc/79/94/01/937799401.db2.gz DLGSYYQEFSDXNX-MRXNPFEDSA-N 1 1 280.375 3.144 20 30 CGEDMO Cc1ccc(C2=CC[N@H+](CC3(C#N)CC3)CC2)cc1 ZINC001324907297 934870688 /nfs/dbraw/zinc/87/06/88/934870688.db2.gz RGCZLCILYZOFJV-UHFFFAOYSA-N 1 1 252.361 3.388 20 30 CGEDMO Cc1ccc(C2=CC[N@@H+](CC3(C#N)CC3)CC2)cc1 ZINC001324907297 934870694 /nfs/dbraw/zinc/87/06/94/934870694.db2.gz RGCZLCILYZOFJV-UHFFFAOYSA-N 1 1 252.361 3.388 20 30 CGEDMO Cc1cc(NC(=O)CC#Cc2ccccc2)cn2cc[nH+]c12 ZINC001324986392 934878577 /nfs/dbraw/zinc/87/85/77/934878577.db2.gz XMSHPXJDGVCDEM-UHFFFAOYSA-N 1 1 289.338 3.023 20 30 CGEDMO C#C[C@H]1CCC[N@H+](CCSc2ccc(F)cc2F)C1 ZINC001473587534 937812400 /nfs/dbraw/zinc/81/24/00/937812400.db2.gz MECGQSFJNVSLKH-LBPRGKRZSA-N 1 1 281.371 3.402 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H]1CC1(C)C ZINC001325883049 934936988 /nfs/dbraw/zinc/93/69/88/934936988.db2.gz QJOBRDNWISRAFQ-PMPSAXMXSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)CCC ZINC001325880090 934937179 /nfs/dbraw/zinc/93/71/79/934937179.db2.gz JFOXXPCUPDRXQM-GVDBMIGSSA-N 1 1 292.467 3.454 20 30 CGEDMO C[N@H+](CCOC1CCCCCC1)[C@H]1CCC[C@@H]1C#N ZINC001473707468 937816893 /nfs/dbraw/zinc/81/68/93/937816893.db2.gz QWYKFPNXSGOINX-ZBFHGGJFSA-N 1 1 264.413 3.350 20 30 CGEDMO C[N@@H+](CCOC1CCCCCC1)[C@H]1CCC[C@@H]1C#N ZINC001473707468 937816895 /nfs/dbraw/zinc/81/68/95/937816895.db2.gz QWYKFPNXSGOINX-ZBFHGGJFSA-N 1 1 264.413 3.350 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC1CCC(O)CC1 ZINC001327545424 935068495 /nfs/dbraw/zinc/06/84/95/935068495.db2.gz FCTFSILHPPPIAG-JDGDGYACSA-N 1 1 298.430 3.309 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC1CCC(O)CC1 ZINC001327545426 935068639 /nfs/dbraw/zinc/06/86/39/935068639.db2.gz FCTFSILHPPPIAG-SOTJZCEJSA-N 1 1 298.430 3.309 20 30 CGEDMO C#CC[N@H+](C[C@H](O)c1cccc2ccccc21)CC1CC1 ZINC001327811718 935085712 /nfs/dbraw/zinc/08/57/12/935085712.db2.gz QGQIGLQUYRZUKR-IBGZPJMESA-N 1 1 279.383 3.218 20 30 CGEDMO N#CCCC[C@H]([NH3+])c1nc([C@H]2CCCc3ccccc32)no1 ZINC001328026192 935110486 /nfs/dbraw/zinc/11/04/86/935110486.db2.gz XLRSXDJZZQXAGW-GJZGRUSLSA-N 1 1 296.374 3.231 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)CC2CC2)C(C)(C)C1 ZINC001328060678 935113790 /nfs/dbraw/zinc/11/37/90/935113790.db2.gz MBCQILVAXZWDHX-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)CCCC)C(C)(C)C1 ZINC001328080572 935115859 /nfs/dbraw/zinc/11/58/59/935115859.db2.gz GXRHVEFVKKULSR-HOTGVXAUSA-N 1 1 292.467 3.053 20 30 CGEDMO CCCO[NH+]=Cc1sc(N2CCCCC2)nc1C ZINC001328379255 935133203 /nfs/dbraw/zinc/13/32/03/935133203.db2.gz RJFNRDHASDZCHS-UHFFFAOYSA-N 1 1 267.398 3.202 20 30 CGEDMO C=CCCC[N@H+](CC)CC1CCN(C(=O)CC2CC2)CC1 ZINC001328567693 935147875 /nfs/dbraw/zinc/14/78/75/935147875.db2.gz MJHJYTVEJKHGJI-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C)C(CC)CC ZINC001328733259 935164414 /nfs/dbraw/zinc/16/44/14/935164414.db2.gz NETULCWHNOGDPK-WBVHZDCISA-N 1 1 292.467 3.005 20 30 CGEDMO CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](CCC)C(C)C ZINC001328766108 935167422 /nfs/dbraw/zinc/16/74/22/935167422.db2.gz QUEYQYFWJJDWOJ-DLBZAZTESA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)c1cc(C(C)C)oc1C ZINC001329590760 935230949 /nfs/dbraw/zinc/23/09/49/935230949.db2.gz XXAMGQGYNMYZTK-ZDUSSCGKSA-N 1 1 292.423 3.338 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)CC[C@H](C)CC ZINC001329937750 935256277 /nfs/dbraw/zinc/25/62/77/935256277.db2.gz NVUHFQIZGKFWEK-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1C[N@H+](CC2CC(C)C2)CC1(C)C ZINC001330219721 935277599 /nfs/dbraw/zinc/27/75/99/935277599.db2.gz DUJVAKKDFPQSBY-NRXISQOPSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@H]1C[N@@H+](CCC(=C)C)CC1(C)C ZINC001330230611 935278817 /nfs/dbraw/zinc/27/88/17/935278817.db2.gz QUHAISJLAKFAOP-HOTGVXAUSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)C)C(C)(C)C1 ZINC001330245910 935279664 /nfs/dbraw/zinc/27/96/64/935279664.db2.gz ZMCARCOWVHCXDT-UONOGXRCSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)CC=C)C(C)(C)C1 ZINC001330244723 935280230 /nfs/dbraw/zinc/28/02/30/935280230.db2.gz VFMKUSYEQHLVCB-OAHLLOKOSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@H](NC(=O)C(C)(C)C)C(C)(C)C1 ZINC001330245908 935280572 /nfs/dbraw/zinc/28/05/72/935280572.db2.gz ZMCARCOWVHCXDT-KBPBESRZSA-N 1 1 280.456 3.214 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)c1ccc(Cl)o1)C(C)C ZINC001332687847 935480860 /nfs/dbraw/zinc/48/08/60/935480860.db2.gz FQAWWNLHIRJIAG-UHFFFAOYSA-N 1 1 298.814 3.292 20 30 CGEDMO COc1ccc([C@H]2CCC[N@@H+]2Cc2ccc(C#N)s2)nc1 ZINC001333436402 935535541 /nfs/dbraw/zinc/53/55/41/935535541.db2.gz DHAOBXHVHVRVCV-MRXNPFEDSA-N 1 1 299.399 3.360 20 30 CGEDMO COc1ccc([C@H]2CCC[N@H+]2Cc2ccc(C#N)s2)nc1 ZINC001333436402 935535546 /nfs/dbraw/zinc/53/55/46/935535546.db2.gz DHAOBXHVHVRVCV-MRXNPFEDSA-N 1 1 299.399 3.360 20 30 CGEDMO COC(=O)[C@H](C)[N@@H+](CCCCC1(C#N)CCC1)C1CCC1 ZINC001333461081 935536841 /nfs/dbraw/zinc/53/68/41/935536841.db2.gz KNMMUHCPZNIDIG-AWEZNQCLSA-N 1 1 292.423 3.267 20 30 CGEDMO C[C@H](CO)[N@@H+](Cc1ccc(C#N)s1)Cc1ccccc1 ZINC001337042927 936233550 /nfs/dbraw/zinc/23/35/50/936233550.db2.gz WDFILQBFNZUDQI-CYBMUJFWSA-N 1 1 286.400 3.003 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccccc2Br)C1 ZINC001337720588 936283560 /nfs/dbraw/zinc/28/35/60/936283560.db2.gz FGMDLLUTGGSZNW-CYBMUJFWSA-N 1 1 296.208 3.226 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1cc(=O)oc2cc(O)c(CC)cc12 ZINC001473865362 937826361 /nfs/dbraw/zinc/82/63/61/937826361.db2.gz PXOKMNZYUHDBOS-CQSZACIVSA-N 1 1 299.370 3.211 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2N(C)C)C[C@H]1C ZINC001474370591 937855339 /nfs/dbraw/zinc/85/53/39/937855339.db2.gz XMWBMTHMYQBQKN-ZIAGYGMSSA-N 1 1 271.408 3.102 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001474646214 937872928 /nfs/dbraw/zinc/87/29/28/937872928.db2.gz DBKYMRQZZWJWDV-SNVBAGLBSA-N 1 1 253.292 3.068 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001474646214 937872930 /nfs/dbraw/zinc/87/29/30/937872930.db2.gz DBKYMRQZZWJWDV-SNVBAGLBSA-N 1 1 253.292 3.068 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001474646214 937872931 /nfs/dbraw/zinc/87/29/31/937872931.db2.gz DBKYMRQZZWJWDV-SNVBAGLBSA-N 1 1 253.292 3.068 20 30 CGEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CCCC2(CC2)CC1 ZINC001474651191 937873416 /nfs/dbraw/zinc/87/34/16/937873416.db2.gz HBGPYRDXMNDFDY-UHFFFAOYSA-N 1 1 283.419 3.390 20 30 CGEDMO CC#CC[N@H+](C)Cc1cc(OC)cc(C(F)(F)F)c1 ZINC001474734180 937877985 /nfs/dbraw/zinc/87/79/85/937877985.db2.gz KGETZMBJDKMNIZ-UHFFFAOYSA-N 1 1 271.282 3.169 20 30 CGEDMO C=CCC1(NC(=O)N[C@@H](C)C[N@H+](C)C(C)C)CCCCC1 ZINC001478753351 937910230 /nfs/dbraw/zinc/91/02/30/937910230.db2.gz HJHTZJQXADWDBU-HNNXBMFYSA-N 1 1 295.471 3.293 20 30 CGEDMO C=CCCCCCCCNC(=O)NC[C@H]1CCCC[N@@H+]1C ZINC001478773378 937910659 /nfs/dbraw/zinc/91/06/59/937910659.db2.gz DFMIPAXKZPEBPN-MRXNPFEDSA-N 1 1 295.471 3.297 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](NC(=O)C2=CCCC2)C1 ZINC001479901873 937928311 /nfs/dbraw/zinc/92/83/11/937928311.db2.gz RZQIYACNYFVKGL-HOCLYGCPSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C)CCC)C1 ZINC001479899963 937928324 /nfs/dbraw/zinc/92/83/24/937928324.db2.gz YSUOFWFNIXXLJB-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)C2CCC2)C1 ZINC001479955846 937929676 /nfs/dbraw/zinc/92/96/76/937929676.db2.gz IAWOAGAMGCTWIB-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)C[C@@H](C)CC(C)C)C1 ZINC001480267358 937935624 /nfs/dbraw/zinc/93/56/24/937935624.db2.gz LNKJJWWLDSUEQL-DLBZAZTESA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccoc2C)C1 ZINC001480715598 937942443 /nfs/dbraw/zinc/94/24/43/937942443.db2.gz BWNUCXPOUAPMQO-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](CCCC)C(C)C)C1 ZINC001480743234 937943097 /nfs/dbraw/zinc/94/30/97/937943097.db2.gz XNGMPCUKCNAXAZ-DLBZAZTESA-N 1 1 292.467 3.005 20 30 CGEDMO C#CC[N@H+](C)[C@H]1CCCN(C(=O)CCCCCC(C)C)C1 ZINC001480737206 937943130 /nfs/dbraw/zinc/94/31/30/937943130.db2.gz NSVZSMCVDIADFD-KRWDZBQOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](CCC)C(C)C)C1 ZINC001480735849 937943210 /nfs/dbraw/zinc/94/32/10/937943210.db2.gz KWXITISVJWNCIU-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1cc(C)oc1C ZINC001480816583 937944756 /nfs/dbraw/zinc/94/47/56/937944756.db2.gz DGFWJMKGAUOOHK-HNNXBMFYSA-N 1 1 290.407 3.057 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)C[C@H](C)SC ZINC001480820015 937944870 /nfs/dbraw/zinc/94/48/70/937944870.db2.gz DYSSVKQPLQSQNH-GJZGRUSLSA-N 1 1 298.496 3.065 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)C1(C)CC=CC1 ZINC001493014958 937946217 /nfs/dbraw/zinc/94/62/17/937946217.db2.gz NQFAFTYFKNMPJX-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)C1(C)CC(=C)C1 ZINC001493136416 937947905 /nfs/dbraw/zinc/94/79/05/937947905.db2.gz SBWIGFNGUKCBLE-HOTGVXAUSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)CC[N@@H+](CCNC(=O)C1C(C)(C)C1(C)C)C1CC1 ZINC001493357413 937950124 /nfs/dbraw/zinc/95/01/24/937950124.db2.gz GNGUPBWAKBLYDK-UHFFFAOYSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)/C=C(/C)CC)C(C)C ZINC001493858341 937951620 /nfs/dbraw/zinc/95/16/20/937951620.db2.gz QIEUATDFRKKPCZ-PTNGSMBKSA-N 1 1 266.429 3.136 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](CCNC(=O)c2cc(Cl)cs2)C1 ZINC001494057794 937952935 /nfs/dbraw/zinc/95/29/35/937952935.db2.gz VBJDXNHEJLKYEC-NSHDSACASA-N 1 1 298.839 3.029 20 30 CGEDMO C=CC(C)(C)CC(=O)NCC[C@@H]1CC[N@H+](CC=C(C)C)C1 ZINC001494018638 937952939 /nfs/dbraw/zinc/95/29/39/937952939.db2.gz OOJQKYFDFAWXPG-MRXNPFEDSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](CCNC(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001494057660 937953065 /nfs/dbraw/zinc/95/30/65/937953065.db2.gz DQUXPGDZQDBFNU-HOTGVXAUSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)/C=C(\C)CC)C1 ZINC001494134422 937953434 /nfs/dbraw/zinc/95/34/34/937953434.db2.gz ZBCKZIPZGZGYIT-ASNKMWSDSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCC[N@H+](C)CC1CCN(C(=O)CCC2CCC2)CC1 ZINC001494190209 937953563 /nfs/dbraw/zinc/95/35/63/937953563.db2.gz AZQWEFVBBSSXPO-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H]1CCC[N@@H+](CC=C(C)C)C1 ZINC001494324231 937954362 /nfs/dbraw/zinc/95/43/62/937954362.db2.gz CRKDBGMUACRRIW-CVEARBPZSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC)CCCC)C1 ZINC001494800212 937956269 /nfs/dbraw/zinc/95/62/69/937956269.db2.gz BROXEFIVVSPSDA-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@](C)(F)CCCC)C1 ZINC001494834644 937956680 /nfs/dbraw/zinc/95/66/80/937956680.db2.gz QWJNFNFKFAIZFY-GOEBONIOSA-N 1 1 284.419 3.014 20 30 CGEDMO C=C(C)C[N@H+](C)CCC1CCN(C(=O)/C(C)=C\C)CC1 ZINC001496498745 937962833 /nfs/dbraw/zinc/96/28/33/937962833.db2.gz QFIHTSCATJZWPB-UUASQNMZSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)[C@H](F)CC1CCCCC1 ZINC001496817355 937964221 /nfs/dbraw/zinc/96/42/21/937964221.db2.gz XJBGEQFFTDKJJM-MRXNPFEDSA-N 1 1 298.446 3.261 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)C1C(C)(C)C1(C)C ZINC001498252887 937968446 /nfs/dbraw/zinc/96/84/46/937968446.db2.gz BDYZFOGPKKKMLK-CYBMUJFWSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)C(F)=C1CCCC1 ZINC001498259040 937968573 /nfs/dbraw/zinc/96/85/73/937968573.db2.gz MOFZCRNEUVETLS-ZDUSSCGKSA-N 1 1 282.403 3.187 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)c1ccsc1C ZINC001498275110 937968804 /nfs/dbraw/zinc/96/88/04/937968804.db2.gz AURFXPUWUSGRNZ-LBPRGKRZSA-N 1 1 280.437 3.073 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(CCC)cc1 ZINC001498368518 937969172 /nfs/dbraw/zinc/96/91/72/937969172.db2.gz DJDUADNQWVRVEX-HNNXBMFYSA-N 1 1 288.435 3.265 20 30 CGEDMO C=CCC1(C(=O)N[C@H](C)C[N@H+](C)CCCC)CCCC1 ZINC001498469694 937969710 /nfs/dbraw/zinc/96/97/10/937969710.db2.gz JVUKFOKLOJCFNI-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1CC ZINC001499047532 937972281 /nfs/dbraw/zinc/97/22/81/937972281.db2.gz JLORGBZVMMUOML-INIZCTEOSA-N 1 1 286.419 3.019 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]1CNC(=O)C[C@@H](C=C)c1ccccc1 ZINC001499123838 937972536 /nfs/dbraw/zinc/97/25/36/937972536.db2.gz CXWHRIFISHIRSD-AEFFLSMTSA-N 1 1 298.430 3.113 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C)cc1C ZINC001499111810 937972548 /nfs/dbraw/zinc/97/25/48/937972548.db2.gz ISAKVLCCUJCMLZ-MRXNPFEDSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](F)CC1CCCCC1 ZINC001499099481 937972592 /nfs/dbraw/zinc/97/25/92/937972592.db2.gz DSOGURMYLHVPPY-HOTGVXAUSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC(C)C ZINC001499497472 937973527 /nfs/dbraw/zinc/97/35/27/937973527.db2.gz SZACXDPPXNQAPT-ZACQAIPSSA-N 1 1 292.467 3.453 20 30 CGEDMO C#CCCCC(=O)NCC[N@H+](CC=C)C1CCCCCC1 ZINC001499517693 937973726 /nfs/dbraw/zinc/97/37/26/937973726.db2.gz LKJFMOKNDOZKKT-UHFFFAOYSA-N 1 1 290.451 3.117 20 30 CGEDMO C=C(C)C[N@@H+](CCNC(=O)C1CC1)C1CCCCCC1 ZINC001499515886 937973745 /nfs/dbraw/zinc/97/37/45/937973745.db2.gz AFUAAIPUUDPGJH-UHFFFAOYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC)C2 ZINC001499570717 937973935 /nfs/dbraw/zinc/97/39/35/937973935.db2.gz TUYRZEAPBWSFIV-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC001499571148 937974094 /nfs/dbraw/zinc/97/40/94/937974094.db2.gz YVZDPHJMXLXJIQ-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC=C(C)C)C2 ZINC001501008341 937978337 /nfs/dbraw/zinc/97/83/37/937978337.db2.gz VCWZITLTGOJOCT-XHSDSOJGSA-N 1 1 290.451 3.134 20 30 CGEDMO CCCCCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](F)CC)C[C@H]2C1 ZINC001501226504 937979197 /nfs/dbraw/zinc/97/91/97/937979197.db2.gz OZBMCAOFNBPICR-XHSDSOJGSA-N 1 1 298.446 3.095 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C)C(C)(C)C)CC1 ZINC001502126200 937981445 /nfs/dbraw/zinc/98/14/45/937981445.db2.gz SJNXRLKVNDNCBY-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C[C@H](CC)C(C)C)CC1 ZINC001502142802 937981707 /nfs/dbraw/zinc/98/17/07/937981707.db2.gz JZBGVHYHEVYHCN-HOTGVXAUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[C@H]1CC ZINC001502371442 937982176 /nfs/dbraw/zinc/98/21/76/937982176.db2.gz KXWBOHQAXCPJCJ-HZPDHXFCSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)CCC)C2 ZINC001502540888 937982574 /nfs/dbraw/zinc/98/25/74/937982574.db2.gz IJJVDMDWIYIPNC-SJLPKXTDSA-N 1 1 292.467 3.313 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@]2(C1)CCCN(C(C)=O)C2 ZINC001502537969 937982749 /nfs/dbraw/zinc/98/27/49/937982749.db2.gz FEJYGIHVIPKUJZ-KRWDZBQOSA-N 1 1 280.456 3.291 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@@H+](CC2CC2)CC1(C)C ZINC001502831765 937983293 /nfs/dbraw/zinc/98/32/93/937983293.db2.gz DOSNZIMKYZBCOG-ZBFHGGJFSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CCCF)C(C)(C)C1 ZINC001502830502 937983318 /nfs/dbraw/zinc/98/33/18/937983318.db2.gz IKYXGYWSXOUGQD-HUUCEWRRSA-N 1 1 298.446 3.308 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@H]1CC[N@@H+](CC2CC2)CC1(C)C ZINC001502831764 937983391 /nfs/dbraw/zinc/98/33/91/937983391.db2.gz DOSNZIMKYZBCOG-HOCLYGCPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)/C=C/C(C)(C)C)C[C@H]1C ZINC001502907188 937983824 /nfs/dbraw/zinc/98/38/24/937983824.db2.gz UWOSSTVHCIITKE-RNUUNTDPSA-N 1 1 298.858 3.310 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)/C=C/C(C)(C)C)C[C@H]1C ZINC001502907188 937983825 /nfs/dbraw/zinc/98/38/25/937983825.db2.gz UWOSSTVHCIITKE-RNUUNTDPSA-N 1 1 298.858 3.310 20 30 CGEDMO CCCCC[N@H+]1CC[C@@H](NC(=O)C#CC(C)(C)C)C[C@H]1C ZINC001502923680 937983890 /nfs/dbraw/zinc/98/38/90/937983890.db2.gz UPMJWLXSZKPTAV-HZPDHXFCSA-N 1 1 292.467 3.195 20 30 CGEDMO C#CCCCC(=O)N[C@H]1CC[N@@H+](CCC(C)(C)C)[C@H](C)C1 ZINC001502923390 937983945 /nfs/dbraw/zinc/98/39/45/937983945.db2.gz QHTVVKWZZIFPRO-CVEARBPZSA-N 1 1 292.467 3.195 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C)C(C)(C)C ZINC001505435874 937985546 /nfs/dbraw/zinc/98/55/46/937985546.db2.gz QCJIHOXFNOPONV-CABCVRRESA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)C1(C)CCCC1 ZINC001505439933 937985625 /nfs/dbraw/zinc/98/56/25/937985625.db2.gz JCBACPZYSPFICT-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C#CCC[N@H+](C)[C@H](C)CNC(=O)C[C@H]1CCCCC1(C)C ZINC001506071714 937989285 /nfs/dbraw/zinc/98/92/85/937989285.db2.gz FUUZTFPTTALBSQ-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)C1(C)CCC1 ZINC001506569646 937990963 /nfs/dbraw/zinc/99/09/63/937990963.db2.gz HLYBDGPTSGFVBK-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C/C(C)=C\CC(=O)N[C@@H]1CCC[N@@H+](CC(=C)C)[C@H]1C ZINC001507381643 937995640 /nfs/dbraw/zinc/99/56/40/937995640.db2.gz JUENCULYWASLSX-KCKALFRLSA-N 1 1 276.424 3.054 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CCC[N@@H+](CCCF)[C@@H]2C)CCC1 ZINC001507386338 937995797 /nfs/dbraw/zinc/99/57/97/937995797.db2.gz UZOQQPRZBNJAGQ-HUUCEWRRSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC=C(CNC(=O)CC(C)C)CC1 ZINC001508187487 937998389 /nfs/dbraw/zinc/99/83/89/937998389.db2.gz IPJVQOWOGWKPNA-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)CCC2CCCC2)CC1 ZINC001508187401 937998449 /nfs/dbraw/zinc/99/84/49/937998449.db2.gz HQZLDAYKPRKHOH-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=C[C@@H](C(=O)N1CCC2(CCC[N@@H+]2C)CC1)c1ccccc1 ZINC001521302250 938031168 /nfs/dbraw/zinc/03/11/68/938031168.db2.gz QFOSCDQWMBSOSR-QGZVFWFLSA-N 1 1 298.430 3.043 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CCCC1 ZINC001543946267 938142516 /nfs/dbraw/zinc/14/25/16/938142516.db2.gz VYAQXRFHJFERGW-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)C(C)(C)C1CCCC1 ZINC001556467116 938203989 /nfs/dbraw/zinc/20/39/89/938203989.db2.gz ZWSWVFHXWRPNFA-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@H+](CCCC)C2CC2)cc1 ZINC001559484412 938227368 /nfs/dbraw/zinc/22/73/68/938227368.db2.gz SCLVWWYVMOCHIH-UHFFFAOYSA-N 1 1 284.403 3.261 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)C[C@@H]1COC2(CCCCC2)O1 ZINC001559578473 938229985 /nfs/dbraw/zinc/22/99/85/938229985.db2.gz MGEZAOOPPYXBQE-MRXNPFEDSA-N 1 1 294.439 3.324 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)C[C@@H]1COC2(CCCCC2)O1 ZINC001559578473 938229986 /nfs/dbraw/zinc/22/99/86/938229986.db2.gz MGEZAOOPPYXBQE-MRXNPFEDSA-N 1 1 294.439 3.324 20 30 CGEDMO CCC(CC)C[N@@H+](CCC#N)CC[C@@H](O)C(C)C ZINC001559578960 938230188 /nfs/dbraw/zinc/23/01/88/938230188.db2.gz XVFOZZVUXHADFS-OAHLLOKOSA-N 1 1 254.418 3.045 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)CCc1c(F)cccc1Cl ZINC001559746912 938234184 /nfs/dbraw/zinc/23/41/84/938234184.db2.gz NHCZQDWDFOLZCP-UHFFFAOYSA-N 1 1 253.748 3.365 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1ccc([Si](C)(C)C)cc1 ZINC001559746796 938234334 /nfs/dbraw/zinc/23/43/34/938234334.db2.gz KMLGOVZQTKTDPH-UHFFFAOYSA-N 1 1 259.469 3.075 20 30 CGEDMO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cc(C#N)ccn1 ZINC001559753379 938234714 /nfs/dbraw/zinc/23/47/14/938234714.db2.gz GWIIOYXJZXBRCE-LBPRGKRZSA-N 1 1 283.297 3.116 20 30 CGEDMO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc(C#N)ccn1 ZINC001559753379 938234715 /nfs/dbraw/zinc/23/47/15/938234715.db2.gz GWIIOYXJZXBRCE-LBPRGKRZSA-N 1 1 283.297 3.116 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC001559821135 938236709 /nfs/dbraw/zinc/23/67/09/938236709.db2.gz SWEJFXVWXFODKU-GJZGRUSLSA-N 1 1 297.320 3.232 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@H]([C@@H]2CCCC2(C)C)C1 ZINC001559935688 938239311 /nfs/dbraw/zinc/23/93/11/938239311.db2.gz QTXAJXMYZHMVLB-JYJNAYRXSA-N 1 1 265.441 3.462 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CCC[C@H](C2CCCCC2)C1 ZINC001560024353 938242006 /nfs/dbraw/zinc/24/20/06/938242006.db2.gz GJXXMPDUNRLNON-HOTGVXAUSA-N 1 1 251.414 3.216 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1C[C@](O)(CC)C(F)(F)F ZINC001560200002 938246665 /nfs/dbraw/zinc/24/66/65/938246665.db2.gz JOMXQNRETQYQEM-VXGBXAGGSA-N 1 1 265.319 3.120 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1cccc2c1OC(F)(F)O2 ZINC001560206269 938246926 /nfs/dbraw/zinc/24/69/26/938246926.db2.gz UNBQHUBMUVNPFG-LLVKDONJSA-N 1 1 267.275 3.159 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1cccc2c1OC(F)(F)O2 ZINC001560206269 938246927 /nfs/dbraw/zinc/24/69/27/938246927.db2.gz UNBQHUBMUVNPFG-LLVKDONJSA-N 1 1 267.275 3.159 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H]1CCCN(c2ccc(C)cc2)C1=O ZINC001560205455 938247154 /nfs/dbraw/zinc/24/71/54/938247154.db2.gz BNIQXUYDKMROGR-NVXWUHKLSA-N 1 1 284.403 3.141 20 30 CGEDMO C#C[C@H]1CCCC[N@H+]1Cc1ccc2cnccc2c1 ZINC001560210187 938247198 /nfs/dbraw/zinc/24/71/98/938247198.db2.gz NTDGJFZPVQWWGJ-KRWDZBQOSA-N 1 1 250.345 3.223 20 30 CGEDMO CC(C)[C@H]1C[C@H](N2CCCC2)C[N@H+]1CCC(C)(C)C#N ZINC001560216864 938247694 /nfs/dbraw/zinc/24/76/94/938247694.db2.gz CFMWRIZMFSNISY-JKSUJKDBSA-N 1 1 277.456 3.121 20 30 CGEDMO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1CCC(C)(C)C#N ZINC001560216864 938247695 /nfs/dbraw/zinc/24/76/95/938247695.db2.gz CFMWRIZMFSNISY-JKSUJKDBSA-N 1 1 277.456 3.121 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3)CC2)o1 ZINC001560227306 938248227 /nfs/dbraw/zinc/24/82/27/938248227.db2.gz LGVSNIBSEJLAQV-QGZVFWFLSA-N 1 1 282.343 3.115 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCO[C@@H](c3ccccc3)CC2)o1 ZINC001560227306 938248228 /nfs/dbraw/zinc/24/82/28/938248228.db2.gz LGVSNIBSEJLAQV-QGZVFWFLSA-N 1 1 282.343 3.115 20 30 CGEDMO C#Cc1ccc(CNC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC001560285639 938250973 /nfs/dbraw/zinc/25/09/73/938250973.db2.gz BQVSUDODFGNHLZ-VQIMIIECSA-N 1 1 284.447 3.268 20 30 CGEDMO C[N@H+]1CCN(Cc2csc(C#N)c2)C2(CCCCC2)C1 ZINC001560646817 938267379 /nfs/dbraw/zinc/26/73/79/938267379.db2.gz JLNDNPQZRPBRSD-UHFFFAOYSA-N 1 1 289.448 3.070 20 30 CGEDMO C#CC[N@H+](C[C@@H](OC)[C@@H](C)CC)C1CCCCC1 ZINC001560657523 938268458 /nfs/dbraw/zinc/26/84/58/938268458.db2.gz PXKMBIFUZADCIG-GOEBONIOSA-N 1 1 251.414 3.315 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@]2(CCC)C(=O)OCC)cc1 ZINC001560796733 938276084 /nfs/dbraw/zinc/27/60/84/938276084.db2.gz JPVQWRHEBIRCGF-IBGZPJMESA-N 1 1 299.414 3.366 20 30 CGEDMO C=CCC[C@@H]([NH2+][C@@H](C)CC1CCCC1)C(=O)OCC ZINC001560836783 938278800 /nfs/dbraw/zinc/27/88/00/938278800.db2.gz FJSIEZKBZKJMEK-DZGCQCFKSA-N 1 1 267.413 3.443 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](C[C@@H]2CCc3ccccc3C2)C1 ZINC001560906886 938283184 /nfs/dbraw/zinc/28/31/84/938283184.db2.gz WEDJXEYJBWAINN-HZPDHXFCSA-N 1 1 253.389 3.137 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](CC2(c3ccc4c(c3)OCO4)CC2)C1 ZINC001560947793 938285756 /nfs/dbraw/zinc/28/57/56/938285756.db2.gz HTRLDXYYBXUNHG-AWEZNQCLSA-N 1 1 285.387 3.345 20 30 CGEDMO C=C(C)C[C@H]([NH2+][C@H]1CCC[C@@H](SC)C1)C(=O)OCC ZINC001560987538 938288050 /nfs/dbraw/zinc/28/80/50/938288050.db2.gz YXGXBQMEVWOCHM-MJBXVCDLSA-N 1 1 285.453 3.148 20 30 CGEDMO C=CC[C@@H]1CCCC[C@H]1NC(=O)NCC[N@H+](CC)C(C)C ZINC001563901028 938305722 /nfs/dbraw/zinc/30/57/22/938305722.db2.gz AFVFFRXRIZPLJF-HZPDHXFCSA-N 1 1 295.471 3.151 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC=C(CNC(=O)C2CC=CC2)CC1 ZINC001486504505 957833908 /nfs/dbraw/zinc/83/39/08/957833908.db2.gz ACMXAYYUSCVTCV-HNNXBMFYSA-N 1 1 288.435 3.056 20 30 CGEDMO CC(=O)C1CC[NH+](Cc2ccc(C#N)c(Cl)c2)CC1 ZINC001232115148 960409682 /nfs/dbraw/zinc/40/96/82/960409682.db2.gz FIBJDLPEOOWSBD-UHFFFAOYSA-N 1 1 276.767 3.013 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H](C)C[NH2+]C/C(Cl)=C\Cl ZINC001569016216 960451980 /nfs/dbraw/zinc/45/19/80/960451980.db2.gz QOMJAFXVPXXXND-PLOHRWSOSA-N 1 1 293.238 3.002 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)[C@H](CC)CCCC)C1 ZINC001569630359 960453137 /nfs/dbraw/zinc/45/31/37/960453137.db2.gz YBQDUVBWAPNOER-WBVHZDCISA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)C(=C)C ZINC001570728494 960459949 /nfs/dbraw/zinc/45/99/49/960459949.db2.gz PXVWRGOZBAENPZ-CABCVRRESA-N 1 1 280.456 3.380 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@H](C[N@H+](C)CC(C)C)C1 ZINC001566741719 960577203 /nfs/dbraw/zinc/57/72/03/960577203.db2.gz IENQSDZYPDXRRN-OAHLLOKOSA-N 1 1 280.456 3.025 20 30 CGEDMO C=C1CC(C)(C(=O)N(C)C[C@H]2CC[N@@H+]2CCCC(C)C)C1 ZINC001565827096 960579363 /nfs/dbraw/zinc/57/93/63/960579363.db2.gz YFGGOANZVDDJDA-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](F)CC1CCCCC1 ZINC001565831286 960595613 /nfs/dbraw/zinc/59/56/13/960595613.db2.gz DOCZGAXKILJRTF-JKSUJKDBSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](F)CC1CCCCC1 ZINC001565831286 960595629 /nfs/dbraw/zinc/59/56/29/960595629.db2.gz DOCZGAXKILJRTF-JKSUJKDBSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C[C@H](CC)CCCC)[C@H]1C ZINC001566098581 960876517 /nfs/dbraw/zinc/87/65/17/960876517.db2.gz REIKZPGYNPOQON-OAGGEKHMSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)[C@@H]1C ZINC001566090344 960877434 /nfs/dbraw/zinc/87/74/34/960877434.db2.gz JOMPFBJMHXHTTA-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC(C)(C)C(=O)NCCC[N@H+](C)[C@@H](C)c1ccccc1 ZINC001566481479 960934718 /nfs/dbraw/zinc/93/47/18/960934718.db2.gz DLRAOBOLGHHYGG-HNNXBMFYSA-N 1 1 288.435 3.398 20 30 CGEDMO C=CCC[N@@H+](CC)CCCNC(=O)c1ccc(C)c(F)c1 ZINC001566557283 960949248 /nfs/dbraw/zinc/94/92/48/960949248.db2.gz DUOMKMZWERZUJI-UHFFFAOYSA-N 1 1 292.398 3.152 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)C[C@@H]1CC=CCC1 ZINC001566560707 960952238 /nfs/dbraw/zinc/95/22/38/960952238.db2.gz RZBPYYCWFMTJEZ-MRXNPFEDSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)CC[N@@H+](CCCNC(=O)[C@@H]1CC[C@H](F)C1)C1CC1 ZINC001566595885 960963162 /nfs/dbraw/zinc/96/31/62/960963162.db2.gz OPPPOOSOACXOTI-CABCVRRESA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[N@@H+](Cc2sccc2Cl)C1 ZINC001566658488 960978807 /nfs/dbraw/zinc/97/88/07/960978807.db2.gz ZTMSOTCENQUCCA-LLVKDONJSA-N 1 1 298.839 3.058 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[N@H+](Cc2sccc2Cl)C1 ZINC001566658488 960978818 /nfs/dbraw/zinc/97/88/18/960978818.db2.gz ZTMSOTCENQUCCA-LLVKDONJSA-N 1 1 298.839 3.058 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H](C[N@@H+](C)CCC(=C)C)C1 ZINC001566741601 961000671 /nfs/dbraw/zinc/00/06/71/961000671.db2.gz GGGJOYYNVBXVDD-QGZVFWFLSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC1(C)C ZINC001566751031 961000904 /nfs/dbraw/zinc/00/09/04/961000904.db2.gz UYLMZSNASRYJMY-WCVJEAGWSA-N 1 1 290.451 3.062 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CCC ZINC001566750754 961006776 /nfs/dbraw/zinc/00/67/76/961006776.db2.gz QNIPZSHUVKXWPU-VQHPVUNQSA-N 1 1 292.467 3.453 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1CCCC[N@H+]1CC1=CCCCC1 ZINC001566917591 961057084 /nfs/dbraw/zinc/05/70/84/961057084.db2.gz AKFDQHRYQWBAGV-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2(CCCC)CC2)C1 ZINC001566966547 961067660 /nfs/dbraw/zinc/06/76/60/961067660.db2.gz WTQWDPVSTFIQMF-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)C2CC3(CC3)C2)C1 ZINC001567199403 961140515 /nfs/dbraw/zinc/14/05/15/961140515.db2.gz WCACGWQVFGHEMY-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H](C)CC ZINC001567243951 961153105 /nfs/dbraw/zinc/15/31/05/961153105.db2.gz BTHBZVXPRBGOLY-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)C=C2CCCCC2)C1 ZINC001567678999 961395425 /nfs/dbraw/zinc/39/54/25/961395425.db2.gz NRPBMARJMAGWQD-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@H](C[N@H+](C)C[C@@H](C)CC)C1 ZINC001567737417 961412543 /nfs/dbraw/zinc/41/25/43/961412543.db2.gz AMHDYFDJZWEEGK-JKSUJKDBSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC[C@@H](C[N@@H+](C)CC=C(C)C)C1 ZINC001567735717 961415446 /nfs/dbraw/zinc/41/54/46/961415446.db2.gz FYPVMAMLLMXPMG-IRXDYDNUSA-N 1 1 292.467 3.335 20 30 CGEDMO C#CCCCCC(=O)N[C@H]1CCC[N@H+](CC(CC)CC)C1 ZINC001567773988 961428124 /nfs/dbraw/zinc/42/81/24/961428124.db2.gz WNEJVPYZYSDEBO-KRWDZBQOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CCC2CC2)C1 ZINC001567905770 961453871 /nfs/dbraw/zinc/45/38/71/961453871.db2.gz DNGGKADTUYKRCX-GOEBONIOSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](F)CC2CCCCC2)C1 ZINC001567924964 961460292 /nfs/dbraw/zinc/46/02/92/961460292.db2.gz IHRYTPZJPSFNFN-CVEARBPZSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCCCCCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001568787481 961641819 /nfs/dbraw/zinc/64/18/19/961641819.db2.gz IFSBSHBPYUDQNH-JKSUJKDBSA-N 1 1 278.440 3.256 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)c1ccccc1 ZINC001569103111 961684828 /nfs/dbraw/zinc/68/48/28/961684828.db2.gz IBURQOPWCZEWDF-HUUCEWRRSA-N 1 1 274.408 3.091 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)C1(C)CC=CC1 ZINC001569136398 961695687 /nfs/dbraw/zinc/69/56/87/961695687.db2.gz QYGJCBPOJFYNEM-HUUCEWRRSA-N 1 1 278.440 3.134 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc(Cl)cc1C ZINC001569136612 961696906 /nfs/dbraw/zinc/69/69/06/961696906.db2.gz VWVAJYSRFMEGKV-CYBMUJFWSA-N 1 1 294.826 3.275 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)C[C@@H]1CC=CCC1 ZINC001569133885 961701292 /nfs/dbraw/zinc/70/12/92/961701292.db2.gz WXQZUKWEETWTSA-JKSUJKDBSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)c1ccc(C(C)C)cc1 ZINC001569148768 961710229 /nfs/dbraw/zinc/71/02/29/961710229.db2.gz OGJXKLVUSXGFES-HNNXBMFYSA-N 1 1 288.435 3.436 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)C(C)=C1CCC1 ZINC001569358553 961738089 /nfs/dbraw/zinc/73/80/89/961738089.db2.gz ZBEACDGQZQOXIK-CZUORRHYSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccsc1 ZINC001569371758 961754186 /nfs/dbraw/zinc/75/41/86/961754186.db2.gz ZBUBMIPJONPWMC-UKRRQHHQSA-N 1 1 292.448 3.041 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@H]1CC[N@H+]1Cc1ccsc1 ZINC001569371758 961754198 /nfs/dbraw/zinc/75/41/98/961754198.db2.gz ZBUBMIPJONPWMC-UKRRQHHQSA-N 1 1 292.448 3.041 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)CC(C)C ZINC001569448942 961770866 /nfs/dbraw/zinc/77/08/66/961770866.db2.gz NQFOGDGDVUKZEO-ZACQAIPSSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCCC(=O)N1CC[C@]2(CC[N@H+]([C@@H](C)CCC=C)C2)C1 ZINC001569475294 961777153 /nfs/dbraw/zinc/77/71/53/961777153.db2.gz QZSXGBFQGWELOA-WMZOPIPTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)C[C@@H](C)CC(C)C)C1 ZINC001569651297 961806641 /nfs/dbraw/zinc/80/66/41/961806641.db2.gz OPZRDQZRYJJWGR-RDJZCZTQSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)/C(C)=C\CC)C1 ZINC001569709920 961831627 /nfs/dbraw/zinc/83/16/27/961831627.db2.gz KELXUDFBIAOYNO-KAKTVLCNSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCCC ZINC001569905739 961863100 /nfs/dbraw/zinc/86/31/00/961863100.db2.gz YNLAEJHVQOAGSN-CVEARBPZSA-N 1 1 278.440 3.208 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC(=C)C ZINC001569913008 961869046 /nfs/dbraw/zinc/86/90/46/961869046.db2.gz MKICQTAWWOUSTE-IXDOHACOSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2C)CC1 ZINC001570181120 961909650 /nfs/dbraw/zinc/90/96/50/961909650.db2.gz CRPBIRJCPUEIEC-BRWVUGGUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)CCCC)CC1 ZINC001570175560 961916720 /nfs/dbraw/zinc/91/67/20/961916720.db2.gz XDUPBCFZHPLQFE-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C/C=C(/C)C=C)CC1 ZINC001570182307 961922872 /nfs/dbraw/zinc/92/28/72/961922872.db2.gz ZTVASDMDBNVVPP-RNIVLKNTSA-N 1 1 290.451 3.446 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CCC[N@H+](C[C@@H](C)CC)CC1 ZINC001570182007 961923871 /nfs/dbraw/zinc/92/38/71/961923871.db2.gz UUWVHGWYTHLJPM-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)/C=C(/C)C1CC1 ZINC001570192370 961924305 /nfs/dbraw/zinc/92/43/05/961924305.db2.gz FQJGNONCNMQVIR-SQFISAMPSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(C)=O)C2 ZINC001570271884 961944865 /nfs/dbraw/zinc/94/48/65/961944865.db2.gz QASFPRLFLBJYNX-QGZVFWFLSA-N 1 1 278.440 3.067 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@H+](CCC)CC1(C)C ZINC001570397948 961957181 /nfs/dbraw/zinc/95/71/81/961957181.db2.gz RMIPFLBEFPUVPS-WMLDXEAASA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[N@H+](CCCC)CC1(C)C ZINC001570393517 961959203 /nfs/dbraw/zinc/95/92/03/961959203.db2.gz KRLTYOINAIVSPQ-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)CC(C)=C(C)C)C(C)(C)C1 ZINC001570395605 961964124 /nfs/dbraw/zinc/96/41/24/961964124.db2.gz MMPYEUZXEPQFTG-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CCC(=C)C)[C@@H](C)C1 ZINC001570440194 961973128 /nfs/dbraw/zinc/97/31/28/961973128.db2.gz JDQXTXPLPXHMRW-LSDHHAIUSA-N 1 1 278.440 3.134 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC1CCN(C(=O)[C@@H]2CC2(C)C)CC1 ZINC001570500325 961978672 /nfs/dbraw/zinc/97/86/72/961978672.db2.gz QBBUBHDYAJBRJO-INIZCTEOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)c1occc1C ZINC001570524708 961988809 /nfs/dbraw/zinc/98/88/09/961988809.db2.gz ZJPCOMCLMFPFML-HNNXBMFYSA-N 1 1 290.407 3.091 20 30 CGEDMO CC(C)C#CC(=O)NC[C@@H](C)[N@@H+](C)CCC1CCCCC1 ZINC001570709630 962051514 /nfs/dbraw/zinc/05/15/14/962051514.db2.gz SOKYJRDYIAWNIC-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@@H](C)CNC(=O)C#CC(C)(C)C ZINC001570710171 962058248 /nfs/dbraw/zinc/05/82/48/962058248.db2.gz CUVZNWUTYBENEW-INIZCTEOSA-N 1 1 294.483 3.443 20 30 CGEDMO C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC(C)=C(C)C ZINC001570825124 962093280 /nfs/dbraw/zinc/09/32/80/962093280.db2.gz MLDIULMMHKJMCV-QGZVFWFLSA-N 1 1 290.451 3.117 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@H]1C[N@@H+](CC=C(C)C)CC1(C)C ZINC001570902172 962105525 /nfs/dbraw/zinc/10/55/25/962105525.db2.gz MUNPPMHLBBFAHY-HOTGVXAUSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCC)C[C@@H]2C1 ZINC001571007201 962108623 /nfs/dbraw/zinc/10/86/23/962108623.db2.gz BXGQQALSQRCESQ-GVDBMIGSSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)[C@H]1C[C@@H]1C(C)C)C(C)C ZINC001571615397 962183787 /nfs/dbraw/zinc/18/37/87/962183787.db2.gz QLEWMPDYQYNOJR-CVEARBPZSA-N 1 1 280.456 3.023 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CNC(=O)CC2CCCC2)CC1 ZINC001571680457 962208304 /nfs/dbraw/zinc/20/83/04/962208304.db2.gz NDYXWVWXBOQDAK-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO CCCCCCCCC(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001585518821 963021358 /nfs/dbraw/zinc/02/13/58/963021358.db2.gz YILLCNYDSXWVBG-WBVHZDCISA-N 1 1 280.456 3.147 20 30 CGEDMO C[C@H](Nc1ccc(C#N)cn1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000273036469 192027061 /nfs/dbraw/zinc/02/70/61/192027061.db2.gz VPJCWIRDXCRSRF-ZFWWWQNUSA-N 1 1 284.407 3.018 20 30 CGEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000124881987 187159053 /nfs/dbraw/zinc/15/90/53/187159053.db2.gz DTNNMILEFAKRGV-WBVHZDCISA-N 1 1 297.402 3.151 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1cc2cc(Cl)cnc2o1 ZINC000590649557 346858921 /nfs/dbraw/zinc/85/89/21/346858921.db2.gz YXFZHUJULLPTPM-NSHDSACASA-N 1 1 263.728 3.263 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000096955745 185141128 /nfs/dbraw/zinc/14/11/28/185141128.db2.gz ALKNGRWBDYWPTQ-GFCCVEGCSA-N 1 1 276.771 3.013 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000096955745 185141130 /nfs/dbraw/zinc/14/11/30/185141130.db2.gz ALKNGRWBDYWPTQ-GFCCVEGCSA-N 1 1 276.771 3.013 20 30 CGEDMO CS[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000590749952 346871546 /nfs/dbraw/zinc/87/15/46/346871546.db2.gz GSAOYFIBZJGHLD-OAHLLOKOSA-N 1 1 274.433 3.425 20 30 CGEDMO CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356137238 529427650 /nfs/dbraw/zinc/42/76/50/529427650.db2.gz PIGDZILNRGWXPH-OAHLLOKOSA-N 1 1 285.416 3.468 20 30 CGEDMO N#CC1(CC[N@H+]2CCC23CCOCC3)CCCCC1 ZINC000591032989 346896123 /nfs/dbraw/zinc/89/61/23/346896123.db2.gz LEBZPMDEIHPZOD-UHFFFAOYSA-N 1 1 262.397 3.105 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2NCC1([NH3+])CCCCC1 ZINC000591575868 346929187 /nfs/dbraw/zinc/92/91/87/346929187.db2.gz DFHRMZGMYNEWTA-KRWDZBQOSA-N 1 1 283.419 3.187 20 30 CGEDMO CCc1ccc([C@H](COC)[NH2+]Cc2ccc(CC#N)cc2)o1 ZINC000347640354 529725523 /nfs/dbraw/zinc/72/55/23/529725523.db2.gz TUXWATXWLDTKTI-KRWDZBQOSA-N 1 1 298.386 3.385 20 30 CGEDMO C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000295066342 199328137 /nfs/dbraw/zinc/32/81/37/199328137.db2.gz QQJNAEXPCQGLKT-ZYHUDNBSSA-N 1 1 285.313 3.060 20 30 CGEDMO C[N@H+](Cc1ccncc1C#N)[C@H]1CCCc2ccccc21 ZINC000592056191 346958324 /nfs/dbraw/zinc/95/83/24/346958324.db2.gz XNAYRYLOXNUFMD-SFHVURJKSA-N 1 1 277.371 3.463 20 30 CGEDMO C[N@@H+](Cc1ccncc1C#N)[C@H]1CCCc2ccccc21 ZINC000592056191 346958327 /nfs/dbraw/zinc/95/83/27/346958327.db2.gz XNAYRYLOXNUFMD-SFHVURJKSA-N 1 1 277.371 3.463 20 30 CGEDMO C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1ccncc1C#N ZINC000592069206 346959436 /nfs/dbraw/zinc/95/94/36/346959436.db2.gz MYKLIYQBIINGSC-RHSMWYFYSA-N 1 1 277.371 3.331 20 30 CGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H]2c2cccs2)cc1 ZINC000126956380 187272983 /nfs/dbraw/zinc/27/29/83/187272983.db2.gz RHRYCUIKNXNMQF-CVEARBPZSA-N 1 1 298.411 3.490 20 30 CGEDMO C[N@@H+](CCCCNc1nc2c(cc1C#N)CCCC2)C1CC1 ZINC000413346139 529884265 /nfs/dbraw/zinc/88/42/65/529884265.db2.gz HJUTZTUGESZCOL-UHFFFAOYSA-N 1 1 298.434 3.118 20 30 CGEDMO CC(C)(C)C[C@H]1CCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000592500541 346993498 /nfs/dbraw/zinc/99/34/98/346993498.db2.gz VFJITRJWCDXPCI-OAHLLOKOSA-N 1 1 297.406 3.002 20 30 CGEDMO CC[N@@H+](CCc1ccccc1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000127114600 187283398 /nfs/dbraw/zinc/28/33/98/187283398.db2.gz OSBPQCOEWOIDBS-LJQANCHMSA-N 1 1 294.398 3.156 20 30 CGEDMO C[C@@H](CO)C1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000593084503 347037670 /nfs/dbraw/zinc/03/76/70/347037670.db2.gz QYMAAFQPWKEZMG-LBPRGKRZSA-N 1 1 292.810 3.052 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593115239 347041583 /nfs/dbraw/zinc/04/15/83/347041583.db2.gz BBPJVBHEKIDJBQ-CYBMUJFWSA-N 1 1 256.340 3.438 20 30 CGEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@@H](O)C1CCCCC1 ZINC000330347571 530052098 /nfs/dbraw/zinc/05/20/98/530052098.db2.gz HUJGEVOLUMQKOK-HZPDHXFCSA-N 1 1 296.455 3.149 20 30 CGEDMO CCCC[N@@H+](CC(=O)N(CCC#N)c1ccccc1)C1CC1 ZINC000046093031 345034720 /nfs/dbraw/zinc/03/47/20/345034720.db2.gz JAHTZOXHZWWGIK-UHFFFAOYSA-N 1 1 299.418 3.198 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CCc2sccc2[C@@H]1C ZINC000053150877 345116219 /nfs/dbraw/zinc/11/62/19/345116219.db2.gz NKMSBKPXCQITQA-ZDUSSCGKSA-N 1 1 292.448 3.092 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCc2sccc2[C@@H]1C ZINC000053150877 345116220 /nfs/dbraw/zinc/11/62/20/345116220.db2.gz NKMSBKPXCQITQA-ZDUSSCGKSA-N 1 1 292.448 3.092 20 30 CGEDMO C[N@H+](CCOc1ccccc1F)Cc1ccccc1C#N ZINC000053421094 345119765 /nfs/dbraw/zinc/11/97/65/345119765.db2.gz RNKFDADAFUWBES-UHFFFAOYSA-N 1 1 284.334 3.208 20 30 CGEDMO C[N@@H+](CCOc1ccccc1F)Cc1ccccc1C#N ZINC000053421094 345119770 /nfs/dbraw/zinc/11/97/70/345119770.db2.gz RNKFDADAFUWBES-UHFFFAOYSA-N 1 1 284.334 3.208 20 30 CGEDMO Cc1ccsc1C[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000051233688 345088534 /nfs/dbraw/zinc/08/85/34/345088534.db2.gz WDLKXDHWLBJCCN-UHFFFAOYSA-N 1 1 286.400 3.439 20 30 CGEDMO COc1ccc2cc(C[NH2+]C[C@@H](C)C#N)ccc2c1 ZINC000054179190 345130374 /nfs/dbraw/zinc/13/03/74/345130374.db2.gz OREDPRHGJULSKD-LBPRGKRZSA-N 1 1 254.333 3.098 20 30 CGEDMO CC[N@@H+](CCCc1cnn(C)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000054340155 345132990 /nfs/dbraw/zinc/13/29/90/345132990.db2.gz OESGYGAKJKNUMF-OAHLLOKOSA-N 1 1 296.418 3.307 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+]([C@@H](C)[C@@H](C)CC)C1CC1 ZINC000060562574 345219108 /nfs/dbraw/zinc/21/91/08/345219108.db2.gz PPKNWBSFMMVOOI-GJZGRUSLSA-N 1 1 278.440 3.086 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)cc1C#N ZINC000127386022 187301615 /nfs/dbraw/zinc/30/16/15/187301615.db2.gz QESXDNGQKZFZTP-MRXNPFEDSA-N 1 1 281.359 3.232 20 30 CGEDMO N#CCCCC[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000066898895 345309643 /nfs/dbraw/zinc/30/96/43/345309643.db2.gz QFSZRJSYJBQRGF-HNNXBMFYSA-N 1 1 286.375 3.289 20 30 CGEDMO C[C@H](CC#N)[NH2+]CCOc1cccc2ccccc21 ZINC000068613013 345357063 /nfs/dbraw/zinc/35/70/63/345357063.db2.gz OAAXTBZYOMNWOY-CYBMUJFWSA-N 1 1 254.333 3.110 20 30 CGEDMO C[C@H]1CCCCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075744556 345520927 /nfs/dbraw/zinc/52/09/27/345520927.db2.gz CCTOLIHIDILALS-ZDUSSCGKSA-N 1 1 296.374 3.373 20 30 CGEDMO CCO[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000076403433 345541712 /nfs/dbraw/zinc/54/17/12/345541712.db2.gz QEPZXZDFYFCMEU-XJKSGUPXSA-N 1 1 258.365 3.120 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCCCNc1ncccc1C#N ZINC000076795368 345550360 /nfs/dbraw/zinc/55/03/60/345550360.db2.gz KEICPMFDRXXXPD-AWEZNQCLSA-N 1 1 272.396 3.020 20 30 CGEDMO CCC[C@H](C)[N@@H+](C)CCOc1ccc(C#N)cc1OC ZINC000077264876 345564484 /nfs/dbraw/zinc/56/44/84/345564484.db2.gz DSHUIXLXTLQWNN-ZDUSSCGKSA-N 1 1 276.380 3.066 20 30 CGEDMO C=CCC[N@@H+]1CCCN(Cc2ccccc2)C[C@H]1C ZINC000077371796 345570942 /nfs/dbraw/zinc/57/09/42/345570942.db2.gz VRMBXDWNHAJKQS-MRXNPFEDSA-N 1 1 258.409 3.159 20 30 CGEDMO C=CCCN1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000077371796 345570944 /nfs/dbraw/zinc/57/09/44/345570944.db2.gz VRMBXDWNHAJKQS-MRXNPFEDSA-N 1 1 258.409 3.159 20 30 CGEDMO C=CCCN1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000077371796 345570945 /nfs/dbraw/zinc/57/09/45/345570945.db2.gz VRMBXDWNHAJKQS-MRXNPFEDSA-N 1 1 258.409 3.159 20 30 CGEDMO CC[N@@H+](CCCNc1ncccc1C#N)C1CCCCC1 ZINC000593489361 347086608 /nfs/dbraw/zinc/08/66/08/347086608.db2.gz RAYJYKJJMWUBQB-UHFFFAOYSA-N 1 1 286.423 3.410 20 30 CGEDMO CCC[N@@H+](C)C[C@H]1CCN(c2ccc(Cl)cc2C#N)C1 ZINC000078563065 345613770 /nfs/dbraw/zinc/61/37/70/345613770.db2.gz JDTBCMWGYUSGHQ-CYBMUJFWSA-N 1 1 291.826 3.380 20 30 CGEDMO N#CCSCCC[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000080632747 345680589 /nfs/dbraw/zinc/68/05/89/345680589.db2.gz AKSCJRGDSLDURF-INIZCTEOSA-N 1 1 292.423 3.479 20 30 CGEDMO C=CCCCN(C)c1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000623983226 349935941 /nfs/dbraw/zinc/93/59/41/349935941.db2.gz VEWVMWCPUJTJLV-UHFFFAOYSA-N 1 1 294.402 3.399 20 30 CGEDMO Cn1c2ccc(Nc3cccc(C#N)n3)cc2[nH+]c1C1CC1 ZINC000089649195 345772713 /nfs/dbraw/zinc/77/27/13/345772713.db2.gz IQJZFYNXQUTKQM-UHFFFAOYSA-N 1 1 289.342 3.461 20 30 CGEDMO C[C@H]1C[C@H](Nc2ccc(C(F)(F)F)c(C#N)c2)CC[N@H+]1C ZINC000157959477 232234957 /nfs/dbraw/zinc/23/49/57/232234957.db2.gz YKYAAYOFDBKJDZ-GXFFZTMASA-N 1 1 297.324 3.472 20 30 CGEDMO Cc1ccoc1C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000091792514 345824391 /nfs/dbraw/zinc/82/43/91/345824391.db2.gz AAHFSZVXKYOGHN-UHFFFAOYSA-N 1 1 295.386 3.172 20 30 CGEDMO C[C@H]([NH2+]Cc1nc2c(s1)CCC2)c1ccc(C#N)cc1 ZINC000093054994 345867790 /nfs/dbraw/zinc/86/77/90/345867790.db2.gz HHALCPSFUXALOE-NSHDSACASA-N 1 1 283.400 3.354 20 30 CGEDMO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000135692179 346088822 /nfs/dbraw/zinc/08/88/22/346088822.db2.gz SJUXGPUCXVHMDN-MRVPVSSYSA-N 1 1 261.350 3.075 20 30 CGEDMO CC(C)Oc1ncccc1C[NH2+]Cc1ccc(C#N)s1 ZINC000135680448 346088834 /nfs/dbraw/zinc/08/88/34/346088834.db2.gz CZMBNGDOVBVUSB-UHFFFAOYSA-N 1 1 287.388 3.092 20 30 CGEDMO C=CC[N@@H+](CCOC[C@H]1CCCO1)Cc1ccccc1F ZINC000152182763 346140434 /nfs/dbraw/zinc/14/04/34/346140434.db2.gz BNQWHKKAJQNGFT-MRXNPFEDSA-N 1 1 293.382 3.009 20 30 CGEDMO C=CC[N@H+](CCOC[C@H]1CCCO1)Cc1ccccc1F ZINC000152182763 346140436 /nfs/dbraw/zinc/14/04/36/346140436.db2.gz BNQWHKKAJQNGFT-MRXNPFEDSA-N 1 1 293.382 3.009 20 30 CGEDMO Cc1ccc(C#N)c(NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000160633478 346171641 /nfs/dbraw/zinc/17/16/41/346171641.db2.gz NHTBIPMFXUOYGV-OKILXGFUSA-N 1 1 286.423 3.042 20 30 CGEDMO C[N@H+](Cc1ccc2c[nH]nc2c1)Cc1cc(C#N)ccc1F ZINC000155420023 346153388 /nfs/dbraw/zinc/15/33/88/346153388.db2.gz FFJISSJFXRXVAB-UHFFFAOYSA-N 1 1 294.333 3.206 20 30 CGEDMO C[N@@H+](Cc1ccc2c[nH]nc2c1)Cc1cc(C#N)ccc1F ZINC000155420023 346153392 /nfs/dbraw/zinc/15/33/92/346153392.db2.gz FFJISSJFXRXVAB-UHFFFAOYSA-N 1 1 294.333 3.206 20 30 CGEDMO CC(C)(C#N)CCCCN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000365433296 346548510 /nfs/dbraw/zinc/54/85/10/346548510.db2.gz QPRIWWQHBDUYKN-INIZCTEOSA-N 1 1 277.456 3.124 20 30 CGEDMO N#CC1(CN[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCCC1 ZINC000405090119 346602745 /nfs/dbraw/zinc/60/27/45/346602745.db2.gz PRJRQUYBMXPWTI-SFHVURJKSA-N 1 1 297.446 3.325 20 30 CGEDMO N#CC1(CN[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000405090119 346602749 /nfs/dbraw/zinc/60/27/49/346602749.db2.gz PRJRQUYBMXPWTI-SFHVURJKSA-N 1 1 297.446 3.325 20 30 CGEDMO C=C(C)C[N@@H+]1CCc2ccc(Br)cc2C1 ZINC000560207804 346658576 /nfs/dbraw/zinc/65/85/76/346658576.db2.gz NEXBLICUGIVFHL-UHFFFAOYSA-N 1 1 266.182 3.383 20 30 CGEDMO C=C(C)C[N@H+]1CCc2ccc(Br)cc2C1 ZINC000560207804 346658579 /nfs/dbraw/zinc/65/85/79/346658579.db2.gz NEXBLICUGIVFHL-UHFFFAOYSA-N 1 1 266.182 3.383 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@H]1CCO[C@H](C)C1 ZINC000491147434 346627374 /nfs/dbraw/zinc/62/73/74/346627374.db2.gz RLHIMFNMTQKFHH-ZBFHGGJFSA-N 1 1 275.367 3.076 20 30 CGEDMO CCCCCCCCC[N@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000584649961 346704522 /nfs/dbraw/zinc/70/45/22/346704522.db2.gz ICQMVFSCRKNRHU-MRXNPFEDSA-N 1 1 297.487 3.473 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000585754115 346729343 /nfs/dbraw/zinc/72/93/43/346729343.db2.gz RBONIFBYLAARAJ-DLBZAZTESA-N 1 1 270.376 3.010 20 30 CGEDMO CC[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(C#N)cn1 ZINC000584728728 346711012 /nfs/dbraw/zinc/71/10/12/346711012.db2.gz VITMXJHZZUOVNY-GOSISDBHSA-N 1 1 277.371 3.290 20 30 CGEDMO COc1ccc([C@H]([NH2+]CCCC#N)c2ccccn2)cc1 ZINC000593708567 347105413 /nfs/dbraw/zinc/10/54/13/347105413.db2.gz VRNIIENUJSTLCO-KRWDZBQOSA-N 1 1 281.359 3.073 20 30 CGEDMO C[C@]1(c2cccc(F)c2)CC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000594016069 347138391 /nfs/dbraw/zinc/13/83/91/347138391.db2.gz SHGHCCIKSZFXMD-SFHVURJKSA-N 1 1 295.361 3.256 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([NH2+][C@@H](Cc2ccccc2)c2ncco2)C1 ZINC000594055175 347146202 /nfs/dbraw/zinc/14/62/02/347146202.db2.gz JJERZHKBDTUWCE-OAGGEKHMSA-N 1 1 281.359 3.240 20 30 CGEDMO N#Cc1cnccc1C[N@H+]1CCC[C@H]1CC1CCCC1 ZINC000594053392 347146322 /nfs/dbraw/zinc/14/63/22/347146322.db2.gz PAAOMSYPHWRVNH-KRWDZBQOSA-N 1 1 269.392 3.498 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1C[C@H](C)OC2(CCCCC2)C1 ZINC000594059753 347146746 /nfs/dbraw/zinc/14/67/46/347146746.db2.gz ZZENMGQZJAIHRK-KBPBESRZSA-N 1 1 250.386 3.102 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@@H+](Cc1cccc3c1NCC3)C2 ZINC000594581066 347195892 /nfs/dbraw/zinc/19/58/92/347195892.db2.gz JMGQWPKACGHLKY-UHFFFAOYSA-N 1 1 275.355 3.042 20 30 CGEDMO N#Cc1ccc2c(c1)C[N@H+](Cc1cccc3c1NCC3)C2 ZINC000594581066 347195896 /nfs/dbraw/zinc/19/58/96/347195896.db2.gz JMGQWPKACGHLKY-UHFFFAOYSA-N 1 1 275.355 3.042 20 30 CGEDMO Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]CC(C)(C)C#N ZINC000594614083 347203799 /nfs/dbraw/zinc/20/37/99/347203799.db2.gz YHGZMQMVAFOIGW-UHFFFAOYSA-N 1 1 282.391 3.129 20 30 CGEDMO CC[N@@H+]1CCC[C@@H]1CNCc1ccc(C(C)(C)C#N)cc1 ZINC000594494378 347177945 /nfs/dbraw/zinc/17/79/45/347177945.db2.gz YSAFRTRAKQXGLV-QGZVFWFLSA-N 1 1 285.435 3.062 20 30 CGEDMO CC[N@H+]1CCC[C@@H]1CNCc1ccc(C(C)(C)C#N)cc1 ZINC000594494378 347177948 /nfs/dbraw/zinc/17/79/48/347177948.db2.gz YSAFRTRAKQXGLV-QGZVFWFLSA-N 1 1 285.435 3.062 20 30 CGEDMO N#Cc1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)o1 ZINC000594518700 347187161 /nfs/dbraw/zinc/18/71/61/347187161.db2.gz JGVDMEHGHSKOFC-UHFFFAOYSA-N 1 1 277.327 3.192 20 30 CGEDMO Cc1cnc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)s1 ZINC000594929859 347232557 /nfs/dbraw/zinc/23/25/57/347232557.db2.gz OTAKNVLQEMAOSU-UHFFFAOYSA-N 1 1 283.400 3.297 20 30 CGEDMO COCC[N@@H+](CCc1ccc(C#N)cc1)Cc1ccccc1 ZINC000595292493 347287134 /nfs/dbraw/zinc/28/71/34/347287134.db2.gz RHHULCFINRTQKC-UHFFFAOYSA-N 1 1 294.398 3.249 20 30 CGEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)[C@H]1COC(C)(C)C1 ZINC000595292156 347287628 /nfs/dbraw/zinc/28/76/28/347287628.db2.gz ZRIOVNYEVIQAOW-MRXNPFEDSA-N 1 1 272.392 3.338 20 30 CGEDMO COc1cc(C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)on1 ZINC000595296880 347288365 /nfs/dbraw/zinc/28/83/65/347288365.db2.gz NILOWVJQNIVZKF-UHFFFAOYSA-N 1 1 299.374 3.213 20 30 CGEDMO C[C@H](N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(C#N)c(F)c1 ZINC000595056339 347271541 /nfs/dbraw/zinc/27/15/41/347271541.db2.gz FLMZGXMLXIPBGG-SWLSCSKDSA-N 1 1 289.398 3.221 20 30 CGEDMO C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1)c1ccc(C#N)c(F)c1 ZINC000595056339 347271544 /nfs/dbraw/zinc/27/15/44/347271544.db2.gz FLMZGXMLXIPBGG-SWLSCSKDSA-N 1 1 289.398 3.221 20 30 CGEDMO CC[C@H](N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(C#N)cc1 ZINC000595057322 347272900 /nfs/dbraw/zinc/27/29/00/347272900.db2.gz XBAVYUVINYHXAM-IRXDYDNUSA-N 1 1 285.435 3.472 20 30 CGEDMO COc1cccc([C@@H](C)[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595615417 347327113 /nfs/dbraw/zinc/32/71/13/347327113.db2.gz QTBNUHAAHKPVJJ-ZIAGYGMSSA-N 1 1 258.365 3.382 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccccc2OC2CC2)C1 ZINC000595623934 347329332 /nfs/dbraw/zinc/32/93/32/347329332.db2.gz ZAUXTHNNVSHVRJ-AWEZNQCLSA-N 1 1 270.376 3.353 20 30 CGEDMO COc1cncc(/C=C/CC[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595622392 347329620 /nfs/dbraw/zinc/32/96/20/347329620.db2.gz ABZVGEMHTUWVPA-FIMWJMCYSA-N 1 1 285.391 3.119 20 30 CGEDMO Cc1ccc2c(c1)C[N@H+](CCCSCC#N)CC2 ZINC000595659260 347334496 /nfs/dbraw/zinc/33/44/96/347334496.db2.gz ZLHBVPDZOSXHPJ-UHFFFAOYSA-N 1 1 260.406 3.000 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](CCCCC(=O)OCC)C1 ZINC000595660984 347335108 /nfs/dbraw/zinc/33/51/08/347335108.db2.gz VCWRAJYWJRLOIJ-AWEZNQCLSA-N 1 1 253.386 3.008 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](C3CCCCC3)C2)nc1 ZINC000595739741 347348370 /nfs/dbraw/zinc/34/83/70/347348370.db2.gz QHZVQFFXSWCPES-INIZCTEOSA-N 1 1 269.392 3.355 20 30 CGEDMO N#CCC[C@@H](C#N)C[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000595733865 347348603 /nfs/dbraw/zinc/34/86/03/347348603.db2.gz KGBWOYZLNSXHDF-GOEBONIOSA-N 1 1 259.397 3.332 20 30 CGEDMO C[C@H](N[C@@H](C#N)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000595430402 347303074 /nfs/dbraw/zinc/30/30/74/347303074.db2.gz KAWXGGDGOOBEIM-WDYCEAGBSA-N 1 1 297.446 3.494 20 30 CGEDMO CN(CCC[N@@H+](C)Cc1ccco1)[C@@H](C#N)c1ccccc1 ZINC000595483785 347309804 /nfs/dbraw/zinc/30/98/04/347309804.db2.gz MCUYHMHUEKMFAG-SFHVURJKSA-N 1 1 297.402 3.298 20 30 CGEDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595493958 347311706 /nfs/dbraw/zinc/31/17/06/347311706.db2.gz XPKVOHAHAXWVSY-YJBOKZPZSA-N 1 1 286.419 3.116 20 30 CGEDMO C[C@@]12C[N@@H+](CCc3ccc(C#N)cc3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000595510581 347313487 /nfs/dbraw/zinc/31/34/87/347313487.db2.gz NFPFMLUXOVXBDD-HCXYKTFWSA-N 1 1 278.399 3.245 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000595840673 347365339 /nfs/dbraw/zinc/36/53/39/347365339.db2.gz RSCQPBRSOCCHML-AWEZNQCLSA-N 1 1 298.308 3.320 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000595840673 347365341 /nfs/dbraw/zinc/36/53/41/347365341.db2.gz RSCQPBRSOCCHML-AWEZNQCLSA-N 1 1 298.308 3.320 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1ccccc1[N+](=O)[O-] ZINC000595844906 347367366 /nfs/dbraw/zinc/36/73/66/347367366.db2.gz HHOCHCLLEVINRV-OKILXGFUSA-N 1 1 288.347 3.157 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000595844926 347367539 /nfs/dbraw/zinc/36/75/39/347367539.db2.gz ICCJGGRUCADHJE-TXEJJXNPSA-N 1 1 299.330 3.419 20 30 CGEDMO N#CC1(C[NH+]2CCC3(C=Cc4ccccc4O3)CC2)CC1 ZINC000595876938 347370364 /nfs/dbraw/zinc/37/03/64/347370364.db2.gz FNYPNNUSDWHELY-UHFFFAOYSA-N 1 1 280.371 3.231 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000595920920 347372720 /nfs/dbraw/zinc/37/27/20/347372720.db2.gz UVRJTZOQXHOCQF-BLLLJJGKSA-N 1 1 294.345 3.111 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000595920920 347372722 /nfs/dbraw/zinc/37/27/22/347372722.db2.gz UVRJTZOQXHOCQF-BLLLJJGKSA-N 1 1 294.345 3.111 20 30 CGEDMO C[C@H]1C[N@@H+](CCCCC(C)(C)C#N)C[C@@](C)(C(F)F)O1 ZINC000595917427 347372745 /nfs/dbraw/zinc/37/27/45/347372745.db2.gz MIBKGGZOKXBNDX-WFASDCNBSA-N 1 1 288.382 3.451 20 30 CGEDMO CO[C@H]1CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597081037 347534054 /nfs/dbraw/zinc/53/40/54/347534054.db2.gz APSYIHZBTWGAFV-KRWDZBQOSA-N 1 1 284.403 3.243 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)C1CC1 ZINC000597083198 347534622 /nfs/dbraw/zinc/53/46/22/347534622.db2.gz PNLSGRJAJXBEFX-UHFFFAOYSA-N 1 1 252.361 3.392 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](N(C)Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597150559 347540896 /nfs/dbraw/zinc/54/08/96/347540896.db2.gz ZWUWVXQXRGTISH-SFHVURJKSA-N 1 1 297.446 3.156 20 30 CGEDMO CC(C)O[C@@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597154517 347541267 /nfs/dbraw/zinc/54/12/67/347541267.db2.gz OZLALTOPDLSFEU-QGZVFWFLSA-N 1 1 284.403 3.241 20 30 CGEDMO CC[C@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)[C@H](C)CO1 ZINC000597159352 347542262 /nfs/dbraw/zinc/54/22/62/347542262.db2.gz YZRURCGWNVFABT-PBHICJAKSA-N 1 1 284.403 3.241 20 30 CGEDMO CCCOc1ccc(C[NH+]2CC(CC#N)C2)c(C)c1 ZINC000597203897 347554327 /nfs/dbraw/zinc/55/43/27/347554327.db2.gz QJFWNVGFBJSOLQ-UHFFFAOYSA-N 1 1 258.365 3.129 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@H](C)O1 ZINC000597224320 347556574 /nfs/dbraw/zinc/55/65/74/347556574.db2.gz FOAKFOSRXVTBSY-CABCVRRESA-N 1 1 284.403 3.241 20 30 CGEDMO N#Cc1csc(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)c1 ZINC000597227446 347557549 /nfs/dbraw/zinc/55/75/49/347557549.db2.gz DDDWOIIABZUCJT-OAHLLOKOSA-N 1 1 284.384 3.273 20 30 CGEDMO CC(C)COc1ccc(C[NH+]2CC(CC#N)C2)cc1 ZINC000597194121 347549029 /nfs/dbraw/zinc/54/90/29/347549029.db2.gz NQAPASQRUGHLNT-UHFFFAOYSA-N 1 1 258.365 3.067 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000598649794 347675547 /nfs/dbraw/zinc/67/55/47/347675547.db2.gz FHVQSUSTQBNWBA-OLZOCXBDSA-N 1 1 288.382 3.091 20 30 CGEDMO Cc1ccccc1[C@H](C)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598586468 347666574 /nfs/dbraw/zinc/66/65/74/347666574.db2.gz WBPWOTGOKZUBHE-GJZGRUSLSA-N 1 1 274.408 3.289 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000598585231 347667045 /nfs/dbraw/zinc/66/70/45/347667045.db2.gz AKWGJHKNLKBIAQ-HOTGVXAUSA-N 1 1 290.382 3.263 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCCCC[C@@H]1c1ccco1 ZINC000598592799 347668507 /nfs/dbraw/zinc/66/85/07/347668507.db2.gz NGZGCFBVWOUUCL-LSDHHAIUSA-N 1 1 290.407 3.497 20 30 CGEDMO CC[C@H](Cc1ccccc1)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598593241 347668512 /nfs/dbraw/zinc/66/85/12/347668512.db2.gz RCAATVRMDLTFDS-SJORKVTESA-N 1 1 288.435 3.240 20 30 CGEDMO CC[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@@H](C)c1cccc(O)c1 ZINC000598595402 347669173 /nfs/dbraw/zinc/66/91/73/347669173.db2.gz NQVCXLITZFWRAA-XJKSGUPXSA-N 1 1 290.407 3.076 20 30 CGEDMO CC1=C(c2ccco2)C[N@@H+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598616845 347671310 /nfs/dbraw/zinc/67/13/10/347671310.db2.gz ZKBOXOFLIMBAFO-AWEZNQCLSA-N 1 1 288.391 3.060 20 30 CGEDMO C[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@H]1CCC[C@H]1C(C)(C)C ZINC000598623099 347672151 /nfs/dbraw/zinc/67/21/51/347672151.db2.gz VBTQNDQKDIGSAS-KFWWJZLASA-N 1 1 280.456 3.434 20 30 CGEDMO N#CC1(CCC[N@H+]2CCCC3(CC3)CC2)CCOCC1 ZINC000599672234 347763672 /nfs/dbraw/zinc/76/36/72/347763672.db2.gz CQCZQWOACVZCPO-UHFFFAOYSA-N 1 1 276.424 3.353 20 30 CGEDMO CCC(O)(CC)C[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000599673931 347764196 /nfs/dbraw/zinc/76/41/96/347764196.db2.gz WJMPZMNPIRHYNJ-UHFFFAOYSA-N 1 1 266.429 3.333 20 30 CGEDMO Cc1cccc(CC[N@H+]2CCc3c(CC#N)cccc3C2)n1 ZINC000599677940 347764726 /nfs/dbraw/zinc/76/47/26/347764726.db2.gz NIYIHUYARLMFOF-UHFFFAOYSA-N 1 1 291.398 3.057 20 30 CGEDMO N#CCc1cccc2c1CC[N@@H+](Cc1ccsc1)C2 ZINC000599677914 347764772 /nfs/dbraw/zinc/76/47/72/347764772.db2.gz MORIKZYAPGRHAS-UHFFFAOYSA-N 1 1 268.385 3.372 20 30 CGEDMO Cc1ccc(C[N@H+]2C[C@@H](C)S[C@@H](C)C2)cc1C#N ZINC000599299519 347733350 /nfs/dbraw/zinc/73/33/50/347733350.db2.gz GHQCXFBHAWDRCK-BETUJISGSA-N 1 1 260.406 3.193 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCOC3(CCCC3)C2)cc1C#N ZINC000599320038 347735399 /nfs/dbraw/zinc/73/53/99/347735399.db2.gz QGUQBQSXDPUGGV-UHFFFAOYSA-N 1 1 270.376 3.012 20 30 CGEDMO Cc1ccc(C[N@H+]2CCOC3(CCCC3)C2)cc1C#N ZINC000599320038 347735404 /nfs/dbraw/zinc/73/54/04/347735404.db2.gz QGUQBQSXDPUGGV-UHFFFAOYSA-N 1 1 270.376 3.012 20 30 CGEDMO CC1(C)C[N@@H+](C[C@H](O)CC2(C#N)CC2)[C@H]1c1ccccc1 ZINC000599329635 347736226 /nfs/dbraw/zinc/73/62/26/347736226.db2.gz AWODYMZELYCPQJ-CVEARBPZSA-N 1 1 284.403 3.124 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cc1C#N ZINC000599340135 347736981 /nfs/dbraw/zinc/73/69/81/347736981.db2.gz LGFVHNKHBHKFAS-SJORKVTESA-N 1 1 284.403 3.115 20 30 CGEDMO Cc1ccc(C[N@@H+](CCO)Cc2ccc(C)c(C#N)c2)cc1 ZINC000599362534 347739660 /nfs/dbraw/zinc/73/96/60/347739660.db2.gz OZPGQCPPEQVXRW-UHFFFAOYSA-N 1 1 294.398 3.170 20 30 CGEDMO Cc1ccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)cc1C#N ZINC000599424798 347742948 /nfs/dbraw/zinc/74/29/48/347742948.db2.gz VOUYYFHWEGJABF-MSOLQXFVSA-N 1 1 296.414 3.400 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2ccc(C)c(C#N)c2)CC1(C)C ZINC000599433173 347744824 /nfs/dbraw/zinc/74/48/24/347744824.db2.gz CKTGAAHHIPUPAI-MRXNPFEDSA-N 1 1 272.392 3.114 20 30 CGEDMO CCO[C@H](C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1)C1CC1 ZINC000599440366 347745310 /nfs/dbraw/zinc/74/53/10/347745310.db2.gz QLUVMNDFUJMGTH-SUMWQHHRSA-N 1 1 272.392 3.366 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@H](CCF)C2)cc1C#N ZINC000599471048 347747567 /nfs/dbraw/zinc/74/75/67/347747567.db2.gz XSORZQVEDOJXJR-CQSZACIVSA-N 1 1 260.356 3.438 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000599511585 347749457 /nfs/dbraw/zinc/74/94/57/347749457.db2.gz ASRPHYYGTYUDEJ-TXEJJXNPSA-N 1 1 294.345 3.290 20 30 CGEDMO C[N@H+](Cc1cnc(C2CC2)o1)Cc1ccc(C#N)cc1 ZINC000600109537 347780554 /nfs/dbraw/zinc/78/05/54/347780554.db2.gz LSHWQYMTVGQDRX-UHFFFAOYSA-N 1 1 267.332 3.056 20 30 CGEDMO C[N@@H+](Cc1cnc(C2CC2)o1)Cc1ccc(C#N)cc1 ZINC000600109537 347780557 /nfs/dbraw/zinc/78/05/57/347780557.db2.gz LSHWQYMTVGQDRX-UHFFFAOYSA-N 1 1 267.332 3.056 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000599526858 347750500 /nfs/dbraw/zinc/75/05/00/347750500.db2.gz VCVSEBUZHZIAAY-ZDUSSCGKSA-N 1 1 294.358 3.006 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000599525910 347750513 /nfs/dbraw/zinc/75/05/13/347750513.db2.gz BJPPAXQHXWRDBL-AWEZNQCLSA-N 1 1 260.337 3.035 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(F)cc2C(=O)OC)C1 ZINC000599526930 347750621 /nfs/dbraw/zinc/75/06/21/347750621.db2.gz XBBQSLFEPHVRQA-GFCCVEGCSA-N 1 1 277.339 3.010 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000599529346 347751316 /nfs/dbraw/zinc/75/13/16/347751316.db2.gz NAUBRTXYGNFLIS-JTQLQIEISA-N 1 1 282.290 3.271 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000599529346 347751319 /nfs/dbraw/zinc/75/13/19/347751319.db2.gz NAUBRTXYGNFLIS-JTQLQIEISA-N 1 1 282.290 3.271 20 30 CGEDMO C[C@@H]1CC(F)(F)CC[N@H+]1CCc1ccc(C#N)cc1 ZINC000599628446 347759737 /nfs/dbraw/zinc/75/97/37/347759737.db2.gz UEJNOHZEXFPSPW-GFCCVEGCSA-N 1 1 264.319 3.220 20 30 CGEDMO CSC1(C[N@H+]2CCc3c(CC#N)cccc3C2)CC1 ZINC000600213368 347794268 /nfs/dbraw/zinc/79/42/68/347794268.db2.gz VAOQKUYOHJOGBU-UHFFFAOYSA-N 1 1 272.417 3.006 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2ncc(CSC)s2)C1 ZINC000600187580 347791107 /nfs/dbraw/zinc/79/11/07/347791107.db2.gz ZIQZETWLPBVHFM-NSHDSACASA-N 1 1 268.451 3.404 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ncc(CSC)s2)C1 ZINC000600187580 347791109 /nfs/dbraw/zinc/79/11/09/347791109.db2.gz ZIQZETWLPBVHFM-NSHDSACASA-N 1 1 268.451 3.404 20 30 CGEDMO COc1cc(C#N)ccc1OCc1c(C)cc(C)[nH+]c1C ZINC000601071410 347862670 /nfs/dbraw/zinc/86/26/70/347862670.db2.gz XGVODJPHXDITBD-UHFFFAOYSA-N 1 1 282.343 3.466 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000602459300 347961986 /nfs/dbraw/zinc/96/19/86/347961986.db2.gz SRNNACFBSNYLRE-XJKSGUPXSA-N 1 1 276.355 3.139 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCO[C@@H](c2ccccc2F)C1 ZINC000602459300 347961989 /nfs/dbraw/zinc/96/19/89/347961989.db2.gz SRNNACFBSNYLRE-XJKSGUPXSA-N 1 1 276.355 3.139 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000602459294 347962235 /nfs/dbraw/zinc/96/22/35/347962235.db2.gz SRNNACFBSNYLRE-BBRMVZONSA-N 1 1 276.355 3.139 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCO[C@H](c2ccccc2F)C1 ZINC000602459294 347962236 /nfs/dbraw/zinc/96/22/36/347962236.db2.gz SRNNACFBSNYLRE-BBRMVZONSA-N 1 1 276.355 3.139 20 30 CGEDMO Cc1ccccc1[C@@H]1C[N@@H+](C[C@@H](C)CCC#N)CCO1 ZINC000602474463 347964598 /nfs/dbraw/zinc/96/45/98/347964598.db2.gz PDYXFPANTOIDCS-YOEHRIQHSA-N 1 1 272.392 3.308 20 30 CGEDMO CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602478226 347965773 /nfs/dbraw/zinc/96/57/73/347965773.db2.gz WVMFEOCUPVDOGU-GOSISDBHSA-N 1 1 279.387 3.406 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)Cc1cc(Cl)cn1C ZINC000602482402 347967274 /nfs/dbraw/zinc/96/72/74/347967274.db2.gz GIMKXSHTSDHIGR-LLVKDONJSA-N 1 1 253.777 3.050 20 30 CGEDMO CCS[C@H]1CCCC[N@@H+](CC2(CC#N)CC2)C1 ZINC000602784069 348027984 /nfs/dbraw/zinc/02/79/84/348027984.db2.gz LKTOBKUVTKDNSG-ZDUSSCGKSA-N 1 1 252.427 3.288 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000602608595 347992596 /nfs/dbraw/zinc/99/25/96/347992596.db2.gz PNXRCEWROWQGPN-XJKSGUPXSA-N 1 1 276.355 3.219 20 30 CGEDMO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]Cc1cccc(C#N)n1 ZINC000602611411 347993635 /nfs/dbraw/zinc/99/36/35/347993635.db2.gz NOWKPJRWQLNSEI-LBPRGKRZSA-N 1 1 297.406 3.064 20 30 CGEDMO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cc(C2CC2)no1 ZINC000602639536 347998551 /nfs/dbraw/zinc/99/85/51/347998551.db2.gz KDGWHUJNTMVKEN-INIZCTEOSA-N 1 1 279.343 3.201 20 30 CGEDMO CCC[C@@]1(COC)CCC[N@H+]1C[C@H](C)CCC#N ZINC000602637686 347998556 /nfs/dbraw/zinc/99/85/56/347998556.db2.gz OXBOYMWMIZAEDX-CABCVRRESA-N 1 1 252.402 3.207 20 30 CGEDMO CCn1ccnc1[C@@H]1CCCC[N@H+]1C[C@H](C)CCC#N ZINC000602644062 348000056 /nfs/dbraw/zinc/00/00/56/348000056.db2.gz UNWFVRAWHLLPCH-CABCVRRESA-N 1 1 274.412 3.370 20 30 CGEDMO CCS[C@@H]1CCCC[N@@H+](CC2(CC#N)CC2)C1 ZINC000602784068 348028615 /nfs/dbraw/zinc/02/86/15/348028615.db2.gz LKTOBKUVTKDNSG-CYBMUJFWSA-N 1 1 252.427 3.288 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000602672926 348005928 /nfs/dbraw/zinc/00/59/28/348005928.db2.gz RXGAGICUHYYULS-HIFRSBDPSA-N 1 1 257.381 3.404 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000602716898 348016364 /nfs/dbraw/zinc/01/63/64/348016364.db2.gz LEFURHPTDSVTFP-BZUAXINKSA-N 1 1 264.413 3.207 20 30 CGEDMO C/C=C\C[C@H]1CCC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602729006 348019451 /nfs/dbraw/zinc/01/94/51/348019451.db2.gz HAAZGRFDSIWLCL-SFAKSCPVSA-N 1 1 255.365 3.131 20 30 CGEDMO CCn1nc(C)c(C[N@@H+](C)Cc2ccc(C#N)c(C)c2)c1C ZINC000602727627 348019473 /nfs/dbraw/zinc/01/94/73/348019473.db2.gz FJQMBDOWTLGQCN-UHFFFAOYSA-N 1 1 296.418 3.332 20 30 CGEDMO C=C(C)C[C@@H]([NH2+][C@H](C)CCCC(F)(F)F)C(=O)OC ZINC000602733917 348021061 /nfs/dbraw/zinc/02/10/61/348021061.db2.gz MCGKJJHLAJTEAV-GHMZBOCLSA-N 1 1 281.318 3.205 20 30 CGEDMO COCC[N@@H+](CCCc1ccccc1)CC1(CC#N)CC1 ZINC000602770264 348026592 /nfs/dbraw/zinc/02/65/92/348026592.db2.gz XXNJDCDFTCGFOF-UHFFFAOYSA-N 1 1 286.419 3.261 20 30 CGEDMO CCc1cccc2c1OCC[C@@H]2[NH2+]Cc1cccc(C#N)n1 ZINC000602543017 347978342 /nfs/dbraw/zinc/97/83/42/347978342.db2.gz DQTKYBDFFIMRMK-KRWDZBQOSA-N 1 1 293.370 3.129 20 30 CGEDMO C[C@H]1C[C@@H](Nc2cccc(-n3cccc3)c2C#N)CC[N@H+]1C ZINC000603298939 348069045 /nfs/dbraw/zinc/06/90/45/348069045.db2.gz ZQAUWDGJDONABO-GJZGRUSLSA-N 1 1 294.402 3.244 20 30 CGEDMO CCC[N@@H+](CC1(CC#N)CC1)[C@H](C)C(=O)Nc1ccccc1 ZINC000602792144 348030357 /nfs/dbraw/zinc/03/03/57/348030357.db2.gz WUBDDQZRJVZJEY-OAHLLOKOSA-N 1 1 299.418 3.419 20 30 CGEDMO C[C@@H]1CN(c2ccccc2F)CC[N@@H+]1CC1(CC#N)CC1 ZINC000602814801 348033512 /nfs/dbraw/zinc/03/35/12/348033512.db2.gz IHSSZBPJOHGRFB-CQSZACIVSA-N 1 1 287.382 3.030 20 30 CGEDMO C[C@@H]1CN(c2ccccc2F)CC[N@H+]1CC1(CC#N)CC1 ZINC000602814801 348033513 /nfs/dbraw/zinc/03/35/13/348033513.db2.gz IHSSZBPJOHGRFB-CQSZACIVSA-N 1 1 287.382 3.030 20 30 CGEDMO N#CCC1(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)CC1 ZINC000602834503 348034844 /nfs/dbraw/zinc/03/48/44/348034844.db2.gz ZMPDCOHLSQZBAI-SQNIBIBYSA-N 1 1 296.414 3.185 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H](c3cccnc3)C2)ccc1F ZINC000602857309 348037625 /nfs/dbraw/zinc/03/76/25/348037625.db2.gz UKOXNEJBUAQRGM-MRXNPFEDSA-N 1 1 295.361 3.472 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@H](c3ccc4cccnc4n3)C2)C1 ZINC000602886212 348041059 /nfs/dbraw/zinc/04/10/59/348041059.db2.gz IIAXBJHKRGHEGT-KBMXLJTQSA-N 1 1 292.386 3.111 20 30 CGEDMO C[N@@H+](CCCOc1ccccc1)[C@H]1CCC[C@H]1C#N ZINC000602975565 348048415 /nfs/dbraw/zinc/04/84/15/348048415.db2.gz CYFLEVWNAUDSSZ-HOCLYGCPSA-N 1 1 258.365 3.080 20 30 CGEDMO CC(C)CSCCC[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602980217 348050444 /nfs/dbraw/zinc/05/04/44/348050444.db2.gz NCEWCQVEDZDXFU-ZIAGYGMSSA-N 1 1 254.443 3.390 20 30 CGEDMO CC[C@]1(O)CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000602983503 348052315 /nfs/dbraw/zinc/05/23/15/348052315.db2.gz MDQMTYTYAZJWJV-INIZCTEOSA-N 1 1 264.413 3.087 20 30 CGEDMO CC[N@@H+](CCOc1ccc(C#N)cc1)CCC(F)(F)F ZINC000604525367 348123446 /nfs/dbraw/zinc/12/34/46/348123446.db2.gz URRWIUDFNTXVIG-UHFFFAOYSA-N 1 1 286.297 3.211 20 30 CGEDMO C=CCC[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000606896485 348204589 /nfs/dbraw/zinc/20/45/89/348204589.db2.gz RAFYPJJMWIMRAX-UHFFFAOYSA-N 1 1 284.197 3.336 20 30 CGEDMO C=CCCCCC[N@H+](C)CC(=O)N(C)Cc1ccccc1 ZINC000606902595 348206846 /nfs/dbraw/zinc/20/68/46/348206846.db2.gz BZJHWWLVPUUNBT-UHFFFAOYSA-N 1 1 288.435 3.323 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@H]1O ZINC000351944298 219258446 /nfs/dbraw/zinc/25/84/46/219258446.db2.gz KLMOLNVSYOHXKA-IFXJQAMLSA-N 1 1 292.382 3.038 20 30 CGEDMO N#Cc1ccc(C[N@H+](Cc2ccc(O)cc2)C2CC2)cc1 ZINC000610000941 348359861 /nfs/dbraw/zinc/35/98/61/348359861.db2.gz DMNWSPNKEJGGMU-UHFFFAOYSA-N 1 1 278.355 3.428 20 30 CGEDMO CC[C@@H](C)[C@H](C)[N@@H+](Cc1ccnc(C#N)c1)C1CC1 ZINC000610992640 348414957 /nfs/dbraw/zinc/41/49/57/348414957.db2.gz WPBJLTSKMSURIN-OLZOCXBDSA-N 1 1 257.381 3.352 20 30 CGEDMO CC(C)(C)C[C@H]1CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610992201 348415112 /nfs/dbraw/zinc/41/51/12/348415112.db2.gz KXKZKIXCYPXBDE-OAHLLOKOSA-N 1 1 257.381 3.354 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)ccn1 ZINC000610994516 348416439 /nfs/dbraw/zinc/41/64/39/348416439.db2.gz ITIVZOXCEGEBLE-HNNXBMFYSA-N 1 1 281.334 3.082 20 30 CGEDMO CC(C)CC[C@@H]1CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610994168 348416447 /nfs/dbraw/zinc/41/64/47/348416447.db2.gz OULMGJRSBOFTDG-INIZCTEOSA-N 1 1 257.381 3.354 20 30 CGEDMO Cc1ccccc1C[C@H]1CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610993523 348416719 /nfs/dbraw/zinc/41/67/19/348416719.db2.gz WKGYLDCBIYYJBP-LJQANCHMSA-N 1 1 291.398 3.469 20 30 CGEDMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000610995357 348417031 /nfs/dbraw/zinc/41/70/31/348417031.db2.gz XUKPTPFXNLKOLM-LBPRGKRZSA-N 1 1 269.323 3.285 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)Cc2ccccn2)cc1OC ZINC000273357864 192124386 /nfs/dbraw/zinc/12/43/86/192124386.db2.gz CNJGQLWMBZXFTJ-UHFFFAOYSA-N 1 1 298.386 3.287 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)Cc2ccccn2)cc1OC ZINC000273357864 192124387 /nfs/dbraw/zinc/12/43/87/192124387.db2.gz CNJGQLWMBZXFTJ-UHFFFAOYSA-N 1 1 298.386 3.287 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](CCC(=O)OCC)C1 ZINC000611038675 348419203 /nfs/dbraw/zinc/41/92/03/348419203.db2.gz XTXYKEAZHCNHPA-AWEZNQCLSA-N 1 1 253.386 3.008 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCCC23CCCCC3)ccn1 ZINC000611153901 348425670 /nfs/dbraw/zinc/42/56/70/348425670.db2.gz NQGWZLUMPJQZLM-UHFFFAOYSA-N 1 1 255.365 3.252 20 30 CGEDMO COC(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)o1 ZINC000611387262 348443819 /nfs/dbraw/zinc/44/38/19/348443819.db2.gz IVXQVFICGWGTSZ-NEPJUHHUSA-N 1 1 298.342 3.350 20 30 CGEDMO COC(=O)c1cc(C[NH2+][C@H](C)c2cccc(C#N)c2)oc1C ZINC000611388757 348443909 /nfs/dbraw/zinc/44/39/09/348443909.db2.gz MLEAVIXZQVUMCG-LLVKDONJSA-N 1 1 298.342 3.097 20 30 CGEDMO C[C@H](CN[C@H]1CCCc2cc(C#N)ccc21)C[NH+]1CCCC1 ZINC000611391133 348444445 /nfs/dbraw/zinc/44/44/45/348444445.db2.gz UUKZGRUPNLKLIE-BEFAXECRSA-N 1 1 297.446 3.257 20 30 CGEDMO C[C@@H]1c2ccccc2OCC[N@@H+]1CCC(C)(C)C#N ZINC000611462686 348453711 /nfs/dbraw/zinc/45/37/11/348453711.db2.gz SGLWVWGIDQTRFF-CYBMUJFWSA-N 1 1 258.365 3.382 20 30 CGEDMO Cc1cc(C)cc(OCC[N@@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000612166499 348498974 /nfs/dbraw/zinc/49/89/74/348498974.db2.gz CSVRTPYOEARLLD-KRWDZBQOSA-N 1 1 272.392 3.308 20 30 CGEDMO Cc1cc(C)cc(OCC[N@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000612166499 348498977 /nfs/dbraw/zinc/49/89/77/348498977.db2.gz CSVRTPYOEARLLD-KRWDZBQOSA-N 1 1 272.392 3.308 20 30 CGEDMO C[C@@]1(C#N)CCC[N@H+](Cc2cccc3cnccc32)C1 ZINC000612405953 348516739 /nfs/dbraw/zinc/51/67/39/348516739.db2.gz FPDRXBGLGAAACV-KRWDZBQOSA-N 1 1 265.360 3.360 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](Cc2cccc3cnccc32)C1 ZINC000612405953 348516740 /nfs/dbraw/zinc/51/67/40/348516740.db2.gz FPDRXBGLGAAACV-KRWDZBQOSA-N 1 1 265.360 3.360 20 30 CGEDMO CC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccn(C)n1 ZINC000612572407 348528903 /nfs/dbraw/zinc/52/89/03/348528903.db2.gz HNKHUIQSTISMPY-DOMZBBRYSA-N 1 1 268.364 3.094 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1ccccc1OCc1ccccn1 ZINC000612585923 348530471 /nfs/dbraw/zinc/53/04/71/348530471.db2.gz YFBRXDMIEPUGQP-UHFFFAOYSA-N 1 1 295.386 3.300 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+](CCCCC)C(C)C ZINC000613408394 348598115 /nfs/dbraw/zinc/59/81/15/348598115.db2.gz IUDWCGDIBUDMDR-UHFFFAOYSA-N 1 1 268.445 3.312 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+](CC)CC(CC)CC ZINC000613423502 348600415 /nfs/dbraw/zinc/60/04/15/348600415.db2.gz QPROHLNNKOMDKG-UHFFFAOYSA-N 1 1 268.445 3.169 20 30 CGEDMO C[C@@H](O)[C@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614176126 348655477 /nfs/dbraw/zinc/65/54/77/348655477.db2.gz HCVVIBHOZDHUJZ-ZBFHGGJFSA-N 1 1 286.419 3.081 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000614397529 348673290 /nfs/dbraw/zinc/67/32/90/348673290.db2.gz BWXUWNNXGRIYFG-LJQANCHMSA-N 1 1 292.382 3.440 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000614397529 348673291 /nfs/dbraw/zinc/67/32/91/348673291.db2.gz BWXUWNNXGRIYFG-LJQANCHMSA-N 1 1 292.382 3.440 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000614578498 348683803 /nfs/dbraw/zinc/68/38/03/348683803.db2.gz FOZRJYAEPPFETB-SFHVURJKSA-N 1 1 284.403 3.258 20 30 CGEDMO CC[C@H](N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(C#N)cc1 ZINC000618568468 349107450 /nfs/dbraw/zinc/10/74/50/349107450.db2.gz WFLNRPWLOVZDIV-MSOLQXFVSA-N 1 1 283.419 3.083 20 30 CGEDMO CC[C@H](N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(C#N)cc1 ZINC000618568468 349107452 /nfs/dbraw/zinc/10/74/52/349107452.db2.gz WFLNRPWLOVZDIV-MSOLQXFVSA-N 1 1 283.419 3.083 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000618666234 349136834 /nfs/dbraw/zinc/13/68/34/349136834.db2.gz XKMHJLGVDHMJKQ-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@](C)(O)CC2)cc1 ZINC000619298496 349227506 /nfs/dbraw/zinc/22/75/06/349227506.db2.gz PPNGMKNXAOACMI-GOSISDBHSA-N 1 1 286.419 3.225 20 30 CGEDMO CC[NH+](CC)[C@H](C)CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000619465953 349252864 /nfs/dbraw/zinc/25/28/64/349252864.db2.gz MOQZQQGTCJVFSO-RDTXWAMCSA-N 1 1 285.435 3.256 20 30 CGEDMO C=CC[N@@H+](CCOC1CCOCC1)Cc1ccccc1F ZINC000625105288 350129091 /nfs/dbraw/zinc/12/90/91/350129091.db2.gz UTCWFODHKOVOSS-UHFFFAOYSA-N 1 1 293.382 3.009 20 30 CGEDMO C=CC[N@H+](CCOC1CCOCC1)Cc1ccccc1F ZINC000625105288 350129095 /nfs/dbraw/zinc/12/90/95/350129095.db2.gz UTCWFODHKOVOSS-UHFFFAOYSA-N 1 1 293.382 3.009 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cc(CO)ccc2F)C1 ZINC000625535131 350182120 /nfs/dbraw/zinc/18/21/20/350182120.db2.gz KGRUDGDJAWAQHU-ZDUSSCGKSA-N 1 1 263.356 3.106 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CC(=O)Nc2ccc(C)c(C)c2)C1 ZINC000625701226 350198728 /nfs/dbraw/zinc/19/87/28/350198728.db2.gz PHSDVMBNTIAYFE-HNNXBMFYSA-N 1 1 272.392 3.140 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CCC(=O)c2ccc(OC)cc2)C1 ZINC000625703867 350200516 /nfs/dbraw/zinc/20/05/16/350200516.db2.gz UUIJRKIWOZOURP-CQSZACIVSA-N 1 1 273.376 3.166 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2nc([C@@H](C)OCC(C)C)no2)C1 ZINC000625700761 350198791 /nfs/dbraw/zinc/19/87/91/350198791.db2.gz LEPCEKYEPKMKHI-ZIAGYGMSSA-N 1 1 293.411 3.201 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2nc([C@@H](C)OCC(C)C)no2)C1 ZINC000625700761 350198794 /nfs/dbraw/zinc/19/87/94/350198794.db2.gz LEPCEKYEPKMKHI-ZIAGYGMSSA-N 1 1 293.411 3.201 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](C[C@H]2CCCCN2C(C)C)C1 ZINC000625701887 350199833 /nfs/dbraw/zinc/19/98/33/350199833.db2.gz LYCUTKSZKPQBTH-HZPDHXFCSA-N 1 1 250.430 3.147 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(SC)cc2)C1 ZINC000625702450 350200119 /nfs/dbraw/zinc/20/01/19/350200119.db2.gz GMYBJKNQOPRTIZ-CYBMUJFWSA-N 1 1 290.432 3.245 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2nc(C3CCCC3)no2)C1 ZINC000625705833 350201220 /nfs/dbraw/zinc/20/12/20/350201220.db2.gz ZTAZVZUBKQXKEG-GFCCVEGCSA-N 1 1 261.369 3.125 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2nc(C3CCCC3)no2)C1 ZINC000625705833 350201221 /nfs/dbraw/zinc/20/12/21/350201221.db2.gz ZTAZVZUBKQXKEG-GFCCVEGCSA-N 1 1 261.369 3.125 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000360116125 233428820 /nfs/dbraw/zinc/42/88/20/233428820.db2.gz QFSQANZYCDYRQI-ZDUSSCGKSA-N 1 1 260.768 3.444 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000628405158 350528491 /nfs/dbraw/zinc/52/84/91/350528491.db2.gz FKJTZOIGCVOHBD-CQSZACIVSA-N 1 1 267.376 3.475 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000628405158 350528495 /nfs/dbraw/zinc/52/84/95/350528495.db2.gz FKJTZOIGCVOHBD-CQSZACIVSA-N 1 1 267.376 3.475 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000628405158 350528500 /nfs/dbraw/zinc/52/85/00/350528500.db2.gz FKJTZOIGCVOHBD-CQSZACIVSA-N 1 1 267.376 3.475 20 30 CGEDMO C=C(Cl)CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000271435568 191137592 /nfs/dbraw/zinc/13/75/92/191137592.db2.gz COXXMSDZRHYFDQ-XJKSGUPXSA-N 1 1 278.827 3.239 20 30 CGEDMO C=CC[C@@H]1CCCC[C@@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC000636156461 351726334 /nfs/dbraw/zinc/72/63/34/351726334.db2.gz RWCWXGAJWDUZPK-CABCVRRESA-N 1 1 289.423 3.258 20 30 CGEDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000271443949 191141343 /nfs/dbraw/zinc/14/13/43/191141343.db2.gz CEIOTWUGYYYJCO-SWLSCSKDSA-N 1 1 296.374 3.371 20 30 CGEDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000124185691 187125517 /nfs/dbraw/zinc/12/55/17/187125517.db2.gz UFYKRHPTIUGULG-CJNGLKHVSA-N 1 1 290.382 3.213 20 30 CGEDMO Cc1nc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)ccc1C#N ZINC000291900729 198100591 /nfs/dbraw/zinc/10/05/91/198100591.db2.gz KDGMIFDPVNEHHQ-AEFFLSMTSA-N 1 1 292.386 3.119 20 30 CGEDMO CC(C)c1[nH+]ccn1Cc1cn2ccccc2c1C#N ZINC000123570727 187099194 /nfs/dbraw/zinc/09/91/94/187099194.db2.gz RGWOQFGQPZIMAO-UHFFFAOYSA-N 1 1 264.332 3.179 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000271503171 191178961 /nfs/dbraw/zinc/17/89/61/191178961.db2.gz NLTWLLXAVMYGLS-JTQLQIEISA-N 1 1 282.771 3.057 20 30 CGEDMO CC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000292397124 198273081 /nfs/dbraw/zinc/27/30/81/198273081.db2.gz KWHHAONISFBSFG-ZWNOBZJWSA-N 1 1 291.782 3.023 20 30 CGEDMO CC[C@@H]1CC[N@H+]1[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000292397124 198273083 /nfs/dbraw/zinc/27/30/83/198273083.db2.gz KWHHAONISFBSFG-ZWNOBZJWSA-N 1 1 291.782 3.023 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)Nc1ccc(F)cc1F ZINC000155136341 188186172 /nfs/dbraw/zinc/18/61/72/188186172.db2.gz WPYXTLAXRBRISV-LLVKDONJSA-N 1 1 282.334 3.190 20 30 CGEDMO Cc1cnc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)s1 ZINC000537407429 288528481 /nfs/dbraw/zinc/52/84/81/288528481.db2.gz QBKVMROBQOYGFI-JTQLQIEISA-N 1 1 275.352 3.313 20 30 CGEDMO COCC[C@H]1CCCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000372090014 234543761 /nfs/dbraw/zinc/54/37/61/234543761.db2.gz YNHHZOIVTXFUDE-OAHLLOKOSA-N 1 1 272.392 3.197 20 30 CGEDMO N#Cc1ccc(C[N@@H+](CC[C@@H]2CCCO2)C2CC2)cc1 ZINC000188916909 283138516 /nfs/dbraw/zinc/13/85/16/283138516.db2.gz SWLACKHFPJCDBK-KRWDZBQOSA-N 1 1 270.376 3.092 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCc3cccc(F)c3C2)cc1 ZINC000347972502 283143385 /nfs/dbraw/zinc/14/33/85/283143385.db2.gz IAXWWNMZFOKYNX-UHFFFAOYSA-N 1 1 266.319 3.256 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCc3cccc(F)c3C2)cc1 ZINC000347972502 283143389 /nfs/dbraw/zinc/14/33/89/283143389.db2.gz IAXWWNMZFOKYNX-UHFFFAOYSA-N 1 1 266.319 3.256 20 30 CGEDMO C=CCCCc1nc(-c2ccc(-n3cc[nH+]c3C)nc2)no1 ZINC000273741321 192287466 /nfs/dbraw/zinc/28/74/66/192287466.db2.gz BSHOURMGYGWFGF-UHFFFAOYSA-N 1 1 295.346 3.134 20 30 CGEDMO COc1ccc(CC[N@@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000125274520 138380829 /nfs/dbraw/zinc/38/08/29/138380829.db2.gz YNGWMDOWSWCADP-UHFFFAOYSA-N 1 1 280.371 3.241 20 30 CGEDMO Cc1nocc1C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425367344 236238807 /nfs/dbraw/zinc/23/88/07/236238807.db2.gz SMQJJJYOMRMLRC-LBPRGKRZSA-N 1 1 255.321 3.048 20 30 CGEDMO Cc1nocc1C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425367344 236238810 /nfs/dbraw/zinc/23/88/10/236238810.db2.gz SMQJJJYOMRMLRC-LBPRGKRZSA-N 1 1 255.321 3.048 20 30 CGEDMO Cc1cncc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425540158 236258934 /nfs/dbraw/zinc/25/89/34/236258934.db2.gz UZPOXCOFWCHLAZ-AWEZNQCLSA-N 1 1 265.360 3.455 20 30 CGEDMO Cc1[nH]c2ccc(C[NH2+]Cc3nc(C#N)cs3)cc2c1C ZINC000352839828 219674313 /nfs/dbraw/zinc/67/43/13/219674313.db2.gz LADBGSJSDNFOSC-UHFFFAOYSA-N 1 1 296.399 3.403 20 30 CGEDMO C[C@H]1C[C@H](C)[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437888302 237368716 /nfs/dbraw/zinc/36/87/16/237368716.db2.gz HQSCBXJPIXAHBH-QWRGUYRKSA-N 1 1 280.318 3.390 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1Cl)[C@H](CO)CC(C)(C)C ZINC000451778656 240358575 /nfs/dbraw/zinc/35/85/75/240358575.db2.gz DPLDBRKICGXPBB-AWEZNQCLSA-N 1 1 294.826 3.441 20 30 CGEDMO Cc1[nH+]ccn1CCCN(C)c1cccc(Cl)c1C#N ZINC000297525618 200218014 /nfs/dbraw/zinc/21/80/14/200218014.db2.gz OVDHEUJOVDPTHM-UHFFFAOYSA-N 1 1 288.782 3.243 20 30 CGEDMO Cc1nsc(NCCC[N@H+](C)C2CCCCC2)c1C#N ZINC000341746911 216087966 /nfs/dbraw/zinc/08/79/66/216087966.db2.gz WIIVLRPGFFUKHD-UHFFFAOYSA-N 1 1 292.452 3.390 20 30 CGEDMO C[C@@]12CC[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]1C2(F)F ZINC000298229216 200366179 /nfs/dbraw/zinc/36/61/79/200366179.db2.gz HDYPISJTWPRCHA-UONOGXRCSA-N 1 1 262.303 3.035 20 30 CGEDMO CCOC[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000177366944 189046634 /nfs/dbraw/zinc/04/66/34/189046634.db2.gz CLEWRCLXUJWFCD-HNNXBMFYSA-N 1 1 277.795 3.050 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000178080427 189089672 /nfs/dbraw/zinc/08/96/72/189089672.db2.gz ACAMQRFIVGNFSB-INIZCTEOSA-N 1 1 292.379 3.132 20 30 CGEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000181263391 260575453 /nfs/dbraw/zinc/57/54/53/260575453.db2.gz KYPAIBLOBLODBY-UHFFFAOYSA-N 1 1 287.190 3.440 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)Nc1ccc(Cl)cc1Cl ZINC000181263391 260575455 /nfs/dbraw/zinc/57/54/55/260575455.db2.gz KYPAIBLOBLODBY-UHFFFAOYSA-N 1 1 287.190 3.440 20 30 CGEDMO CCC[C@@H]1CCCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000179511386 189198885 /nfs/dbraw/zinc/19/88/85/189198885.db2.gz UXWCQBHGYQRHBZ-SJORKVTESA-N 1 1 272.392 3.246 20 30 CGEDMO CCc1cnc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)s1 ZINC000181834437 189308329 /nfs/dbraw/zinc/30/83/29/189308329.db2.gz XHSYYXZQOOOKAT-NSHDSACASA-N 1 1 271.389 3.428 20 30 CGEDMO Cc1ccc(C[N@@H+](CCO)Cc2ccc(F)c(C#N)c2)cc1 ZINC000181981849 189311604 /nfs/dbraw/zinc/31/16/04/189311604.db2.gz HAARPIAEFUDJSI-UHFFFAOYSA-N 1 1 298.361 3.000 20 30 CGEDMO CCC[N@@H+](CCCn1ccnc1)Cc1ccc(C#N)cc1 ZINC000183160870 189348666 /nfs/dbraw/zinc/34/86/66/189348666.db2.gz GQWPVGNGKAFWCM-UHFFFAOYSA-N 1 1 282.391 3.057 20 30 CGEDMO CC[N@H+](CCC(C)(C)C#N)[C@@H]1CCN(c2ccccc2)C1=O ZINC000119930401 370723886 /nfs/dbraw/zinc/72/38/86/370723886.db2.gz ZLPJHPHFVCGHKT-MRXNPFEDSA-N 1 1 299.418 3.054 20 30 CGEDMO CC[N@@H+](CCC(C)(C)C#N)[C@@H]1CCN(c2ccccc2)C1=O ZINC000119930401 370723892 /nfs/dbraw/zinc/72/38/92/370723892.db2.gz ZLPJHPHFVCGHKT-MRXNPFEDSA-N 1 1 299.418 3.054 20 30 CGEDMO Cn1cccc1[C@H]1CCCC[N@H+]1CCC(C)(C)C#N ZINC000119959845 370726261 /nfs/dbraw/zinc/72/62/61/370726261.db2.gz LDVWOVXYEKUKSR-OAHLLOKOSA-N 1 1 259.397 3.492 20 30 CGEDMO CC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2OC)C1 ZINC000120546794 370779442 /nfs/dbraw/zinc/77/94/42/370779442.db2.gz PAVUTEMDQUKPMM-CYBMUJFWSA-N 1 1 258.365 3.189 20 30 CGEDMO C=CCC(CC=C)C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000121372390 370855982 /nfs/dbraw/zinc/85/59/82/370855982.db2.gz ZXQDVUWHUQGKBW-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO CCOC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000459673728 242173679 /nfs/dbraw/zinc/17/36/79/242173679.db2.gz KAOBENUFJYXGFL-QGZVFWFLSA-N 1 1 272.392 3.258 20 30 CGEDMO CC[N@@H+](C[C@H]1CCCO1)[C@@H](C)c1cccc(C#N)c1 ZINC000275952620 193171359 /nfs/dbraw/zinc/17/13/59/193171359.db2.gz FPPNAASCXVEEAH-XJKSGUPXSA-N 1 1 258.365 3.120 20 30 CGEDMO Cc1cnc([C@@H](C)[NH2+]CC#Cc2ccccc2)s1 ZINC000124282365 370922772 /nfs/dbraw/zinc/92/27/72/370922772.db2.gz IRNCRHQKIOEJAC-CYBMUJFWSA-N 1 1 256.374 3.154 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1C ZINC000123236347 370910308 /nfs/dbraw/zinc/91/03/08/370910308.db2.gz WZVLMSBSUZKQTD-NVXWUHKLSA-N 1 1 259.393 3.459 20 30 CGEDMO C=CC[N@@H+](Cc1cnn(CCC)c1)Cc1ccc(OC)cc1 ZINC000125400505 370937098 /nfs/dbraw/zinc/93/70/98/370937098.db2.gz IXJVCTOMXCSPSD-UHFFFAOYSA-N 1 1 299.418 3.490 20 30 CGEDMO C=CC[N@H+](Cc1cnn(CCC)c1)Cc1ccc(OC)cc1 ZINC000125400505 370937103 /nfs/dbraw/zinc/93/71/03/370937103.db2.gz IXJVCTOMXCSPSD-UHFFFAOYSA-N 1 1 299.418 3.490 20 30 CGEDMO C[N@@H+](CCOc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000034651759 368976346 /nfs/dbraw/zinc/97/63/46/368976346.db2.gz DRXULDMPJHCOFS-UHFFFAOYSA-N 1 1 284.334 3.208 20 30 CGEDMO C[N@@H+](CCOc1ccccc1C#N)C1CCCCC1 ZINC000034674087 368976914 /nfs/dbraw/zinc/97/69/14/368976914.db2.gz ZLUFMVPKHHVTPP-UHFFFAOYSA-N 1 1 258.365 3.202 20 30 CGEDMO CC[N@H+]1CCC[C@H]1CNc1c(C#N)cnc2ccccc21 ZINC000037413199 369084307 /nfs/dbraw/zinc/08/43/07/369084307.db2.gz JZPUTYCMZIFEFB-AWEZNQCLSA-N 1 1 280.375 3.003 20 30 CGEDMO CC(C)C[N@@H+](CCOc1cccc(C#N)c1)C(C)C ZINC000042253414 369208789 /nfs/dbraw/zinc/20/87/89/369208789.db2.gz BENTYRJHZRGCJB-UHFFFAOYSA-N 1 1 260.381 3.303 20 30 CGEDMO CCC(CC)[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000042616412 369226406 /nfs/dbraw/zinc/22/64/06/369226406.db2.gz WABKCHAYWCXBLU-UHFFFAOYSA-N 1 1 260.381 3.195 20 30 CGEDMO CC(C)C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000330758350 203197703 /nfs/dbraw/zinc/19/77/03/203197703.db2.gz LLCQUJKOMMMIOP-MRXNPFEDSA-N 1 1 285.391 3.007 20 30 CGEDMO C[C@H](C1CC1)[N@@H+](CCOc1cccc(C#N)c1)C1CC1 ZINC000051881927 369456367 /nfs/dbraw/zinc/45/63/67/369456367.db2.gz OSMOAMNQLWKBHH-CYBMUJFWSA-N 1 1 270.376 3.200 20 30 CGEDMO CC[N@H+](CCOc1ccccc1Cl)C[C@H](C)C#N ZINC000128014600 370957831 /nfs/dbraw/zinc/95/78/31/370957831.db2.gz XGOLXURIZAZTQM-GFCCVEGCSA-N 1 1 266.772 3.200 20 30 CGEDMO CC[N@@H+](CCOc1ccccc1Cl)C[C@H](C)C#N ZINC000128014600 370957836 /nfs/dbraw/zinc/95/78/36/370957836.db2.gz XGOLXURIZAZTQM-GFCCVEGCSA-N 1 1 266.772 3.200 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H]1CCCCO1 ZINC000054271953 369500651 /nfs/dbraw/zinc/50/06/51/369500651.db2.gz UFZZHBAGFJTPQX-KRWDZBQOSA-N 1 1 275.392 3.252 20 30 CGEDMO CC[N@H+](CCOc1ccc(Cl)cc1)C[C@@H](C)C#N ZINC000059950069 369583214 /nfs/dbraw/zinc/58/32/14/369583214.db2.gz CCOMIAARVZULTB-LBPRGKRZSA-N 1 1 266.772 3.200 20 30 CGEDMO CC[N@@H+](CCOc1ccc(Cl)cc1)C[C@@H](C)C#N ZINC000059950069 369583217 /nfs/dbraw/zinc/58/32/17/369583217.db2.gz CCOMIAARVZULTB-LBPRGKRZSA-N 1 1 266.772 3.200 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)C(=O)Nc1cccc(SC)c1 ZINC000276384947 193310682 /nfs/dbraw/zinc/31/06/82/193310682.db2.gz IQEAPFXWJNTDMI-GFCCVEGCSA-N 1 1 278.421 3.243 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cccc(C(=O)NCC(C)C)c1 ZINC000067226768 369714016 /nfs/dbraw/zinc/71/40/16/369714016.db2.gz TXINVQPZIPRKTA-UHFFFAOYSA-N 1 1 288.435 3.470 20 30 CGEDMO COc1c(C)c[nH+]c(CN(C)Cc2cccc(C#N)c2)c1C ZINC000066241762 369691441 /nfs/dbraw/zinc/69/14/41/369691441.db2.gz ZPWVGCYLCJHXGJ-UHFFFAOYSA-N 1 1 295.386 3.211 20 30 CGEDMO COc1c(C)cnc(C[N@H+](C)Cc2cccc(C#N)c2)c1C ZINC000066241762 369691445 /nfs/dbraw/zinc/69/14/45/369691445.db2.gz ZPWVGCYLCJHXGJ-UHFFFAOYSA-N 1 1 295.386 3.211 20 30 CGEDMO COc1c(C)cnc(C[N@@H+](C)Cc2cccc(C#N)c2)c1C ZINC000066241762 369691449 /nfs/dbraw/zinc/69/14/49/369691449.db2.gz ZPWVGCYLCJHXGJ-UHFFFAOYSA-N 1 1 295.386 3.211 20 30 CGEDMO CC[C@]1(C)CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000072802891 369839488 /nfs/dbraw/zinc/83/94/88/369839488.db2.gz HTXLRJUWFNSYDZ-QGZVFWFLSA-N 1 1 285.391 3.009 20 30 CGEDMO COC(=O)c1ccc(C[N@H+](CCC#N)CCC(C)C)cc1 ZINC000072691833 369834660 /nfs/dbraw/zinc/83/46/60/369834660.db2.gz JQKGLBSBEALJKC-UHFFFAOYSA-N 1 1 288.391 3.235 20 30 CGEDMO COC(=O)c1ccc(C[N@@H+](CCC#N)CCC(C)C)cc1 ZINC000072691833 369834663 /nfs/dbraw/zinc/83/46/63/369834663.db2.gz JQKGLBSBEALJKC-UHFFFAOYSA-N 1 1 288.391 3.235 20 30 CGEDMO C[N@H+]1CCN(Cc2ccc(C#N)cc2)C2(CCCCC2)C1 ZINC000081598550 369998699 /nfs/dbraw/zinc/99/86/99/369998699.db2.gz BMQDZZMPFFYMPL-UHFFFAOYSA-N 1 1 283.419 3.009 20 30 CGEDMO CN1CC[N@H+](Cc2ccc(C#N)cc2)C2(CCCCC2)C1 ZINC000081598550 369998702 /nfs/dbraw/zinc/99/87/02/369998702.db2.gz BMQDZZMPFFYMPL-UHFFFAOYSA-N 1 1 283.419 3.009 20 30 CGEDMO CN1CC[N@@H+](Cc2ccc(C#N)cc2)C2(CCCCC2)C1 ZINC000081598550 369998705 /nfs/dbraw/zinc/99/87/05/369998705.db2.gz BMQDZZMPFFYMPL-UHFFFAOYSA-N 1 1 283.419 3.009 20 30 CGEDMO C=CC[NH2+]Cc1c(F)ccc(Br)c1F ZINC000083450916 370004923 /nfs/dbraw/zinc/00/49/23/370004923.db2.gz JSVSVLXWNKTEHT-UHFFFAOYSA-N 1 1 262.097 3.003 20 30 CGEDMO Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccc(C#N)o2)s1 ZINC000093275122 370113419 /nfs/dbraw/zinc/11/34/19/370113419.db2.gz UGPDAIBKSKMJIO-SNVBAGLBSA-N 1 1 275.377 3.418 20 30 CGEDMO Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2ccc(C#N)o2)s1 ZINC000093275122 370113423 /nfs/dbraw/zinc/11/34/23/370113423.db2.gz UGPDAIBKSKMJIO-SNVBAGLBSA-N 1 1 275.377 3.418 20 30 CGEDMO CC(C)(CCC#N)C[N@@H+](CCC1CCCCC1)CC(N)=O ZINC000092784603 370100763 /nfs/dbraw/zinc/10/07/63/370100763.db2.gz KJKAALBXDDRGLE-UHFFFAOYSA-N 1 1 293.455 3.074 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)C(C)(C)C(=O)OCC)cc1 ZINC000093359380 370119250 /nfs/dbraw/zinc/11/92/50/370119250.db2.gz PABABAJJRNKLHQ-UHFFFAOYSA-N 1 1 291.391 3.025 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)C(C)(C)C(=O)OCC)cc1 ZINC000093359380 370119252 /nfs/dbraw/zinc/11/92/52/370119252.db2.gz PABABAJJRNKLHQ-UHFFFAOYSA-N 1 1 291.391 3.025 20 30 CGEDMO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1ccccc1C#N ZINC000109784579 370366515 /nfs/dbraw/zinc/36/65/15/370366515.db2.gz KGQBTDZIYRXQAJ-CYBMUJFWSA-N 1 1 266.344 3.457 20 30 CGEDMO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1ccccc1C#N ZINC000109784579 370366520 /nfs/dbraw/zinc/36/65/20/370366520.db2.gz KGQBTDZIYRXQAJ-CYBMUJFWSA-N 1 1 266.344 3.457 20 30 CGEDMO C=CC[N@H+](Cc1cn2cccnc2n1)CC1CCCCC1 ZINC000112202332 370414220 /nfs/dbraw/zinc/41/42/20/370414220.db2.gz AZFOAXUVNXBDAB-UHFFFAOYSA-N 1 1 284.407 3.298 20 30 CGEDMO CN(C)Cc1cc(C[NH2+]Cc2ccc(C#N)cc2)ccc1F ZINC000115623708 370538300 /nfs/dbraw/zinc/53/83/00/370538300.db2.gz LGSMBYORMZKMDQ-UHFFFAOYSA-N 1 1 297.377 3.049 20 30 CGEDMO N#Cc1ccc(OCC[N@H+]2CCC[C@H](C3CC3)C2)cc1 ZINC000344000037 217009299 /nfs/dbraw/zinc/00/92/99/217009299.db2.gz WSMCFCDFCIIANF-INIZCTEOSA-N 1 1 270.376 3.059 20 30 CGEDMO C=CCOc1cccc(C[N@H+](CCC#N)CC2CC2)c1 ZINC000119090908 370644397 /nfs/dbraw/zinc/64/43/97/370644397.db2.gz MCIOZVBNULPIFA-UHFFFAOYSA-N 1 1 270.376 3.377 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](CCC#N)CC2CC2)c1 ZINC000119090908 370644399 /nfs/dbraw/zinc/64/43/99/370644399.db2.gz MCIOZVBNULPIFA-UHFFFAOYSA-N 1 1 270.376 3.377 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)cc1 ZINC000129995892 371008473 /nfs/dbraw/zinc/00/84/73/371008473.db2.gz MMKBGFUTANRKTF-KRWDZBQOSA-N 1 1 299.414 3.090 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+]1CCc2ccccc2C1 ZINC000130388094 371029641 /nfs/dbraw/zinc/02/96/41/371029641.db2.gz BAIUVFSJNJCEGC-UHFFFAOYSA-N 1 1 278.355 3.125 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCc2ccccc2C1 ZINC000130388094 371029644 /nfs/dbraw/zinc/02/96/44/371029644.db2.gz BAIUVFSJNJCEGC-UHFFFAOYSA-N 1 1 278.355 3.125 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000130475842 371036621 /nfs/dbraw/zinc/03/66/21/371036621.db2.gz AJXOCIWOLAWAJA-ZDUSSCGKSA-N 1 1 298.308 3.341 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000130475842 371036627 /nfs/dbraw/zinc/03/66/27/371036627.db2.gz AJXOCIWOLAWAJA-ZDUSSCGKSA-N 1 1 298.308 3.341 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000130474724 371036832 /nfs/dbraw/zinc/03/68/32/371036832.db2.gz BMZFQCMWVJJSAZ-ZBFHGGJFSA-N 1 1 270.376 3.331 20 30 CGEDMO C[N@H+](CC#Cc1ccc(Cl)cc1)Cc1cccnc1 ZINC000132326556 371167461 /nfs/dbraw/zinc/16/74/61/371167461.db2.gz KXXVPBQAMBFJLF-UHFFFAOYSA-N 1 1 270.763 3.219 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(Cl)cc1)Cc1cccnc1 ZINC000132326556 371167462 /nfs/dbraw/zinc/16/74/62/371167462.db2.gz KXXVPBQAMBFJLF-UHFFFAOYSA-N 1 1 270.763 3.219 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CC[C@H](C)C[C@H]1c1ccco1 ZINC000132660739 371192175 /nfs/dbraw/zinc/19/21/75/371192175.db2.gz GUIDRUGRGVCACY-ZNMIVQPWSA-N 1 1 263.381 3.380 20 30 CGEDMO CC[C@@H]1CC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000135057287 371387381 /nfs/dbraw/zinc/38/73/81/371387381.db2.gz HGDTXCKPQXXCKY-CQSZACIVSA-N 1 1 258.365 3.059 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@H](C)O1 ZINC000135092998 371390149 /nfs/dbraw/zinc/39/01/49/371390149.db2.gz KPUYDVCJBZVXEP-OKILXGFUSA-N 1 1 272.392 3.097 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)C[C@H](C)O1 ZINC000135092998 371390152 /nfs/dbraw/zinc/39/01/52/371390152.db2.gz KPUYDVCJBZVXEP-OKILXGFUSA-N 1 1 272.392 3.097 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@H](C)c2ccco2)cc1C#N ZINC000135008530 371383399 /nfs/dbraw/zinc/38/33/99/371383399.db2.gz DBZNCQXBAQFHGD-GFCCVEGCSA-N 1 1 270.332 3.353 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@H](C(C)C)C2)cc1C#N ZINC000135410643 371424558 /nfs/dbraw/zinc/42/45/58/371424558.db2.gz MFUAMKZSPZSDGB-AWEZNQCLSA-N 1 1 258.365 3.045 20 30 CGEDMO CSC[C@H]1CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000135445210 371426917 /nfs/dbraw/zinc/42/69/17/371426917.db2.gz COGYBGHZZMTMIG-CYBMUJFWSA-N 1 1 264.369 3.025 20 30 CGEDMO CCC(CC)[N@@H+](CC)CCC(=O)Nc1ccc(C#N)cc1 ZINC000344032407 217020818 /nfs/dbraw/zinc/02/08/18/217020818.db2.gz PZEPTBJHVLAVED-UHFFFAOYSA-N 1 1 287.407 3.397 20 30 CGEDMO C=CCC[C@H](NCC1([NH+](C)C)CCC1)c1ccco1 ZINC000287486756 371663847 /nfs/dbraw/zinc/66/38/47/371663847.db2.gz NCDCJVOEZIFQOA-AWEZNQCLSA-N 1 1 262.397 3.361 20 30 CGEDMO C=CCC[C@@H]([NH2+]Cc1cc(C)nn1C)c1ccco1 ZINC000287632124 371685446 /nfs/dbraw/zinc/68/54/46/371685446.db2.gz UGEXGYDQSARGRN-CQSZACIVSA-N 1 1 259.353 3.119 20 30 CGEDMO CCC[C@H](C)[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000337323188 214006305 /nfs/dbraw/zinc/00/63/05/214006305.db2.gz RYLFZOQZEVVUQW-XJKSGUPXSA-N 1 1 258.365 3.120 20 30 CGEDMO CCC[C@@H](C)[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000337323185 214007073 /nfs/dbraw/zinc/00/70/73/214007073.db2.gz RYLFZOQZEVVUQW-CJNGLKHVSA-N 1 1 258.365 3.120 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCC1(F)F ZINC000289954739 371860757 /nfs/dbraw/zinc/86/07/57/371860757.db2.gz WESONABDCBBYQF-LLVKDONJSA-N 1 1 250.292 3.035 20 30 CGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000344067581 217034505 /nfs/dbraw/zinc/03/45/05/217034505.db2.gz PVSLAQJUVYBMDH-LSDHHAIUSA-N 1 1 297.402 3.173 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3ccccc3)C2)o1 ZINC000155061868 371900904 /nfs/dbraw/zinc/90/09/04/371900904.db2.gz QQGLJCSNSUDRSX-AWEZNQCLSA-N 1 1 252.317 3.141 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000155101783 371905064 /nfs/dbraw/zinc/90/50/64/371905064.db2.gz HLFQOCZWUORZIK-CQSZACIVSA-N 1 1 290.407 3.156 20 30 CGEDMO C[N@@H+](CCCCCF)CCOCc1ccc(C#N)cc1 ZINC000344121015 217058252 /nfs/dbraw/zinc/05/82/52/217058252.db2.gz DMCPUCYEMCAZNV-UHFFFAOYSA-N 1 1 278.371 3.146 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1nnc(-c2ccccc2OC)o1 ZINC000158276596 372062393 /nfs/dbraw/zinc/06/23/93/372062393.db2.gz XRZUBAPLZAAKKD-UHFFFAOYSA-N 1 1 287.363 3.143 20 30 CGEDMO CC[C@@]1(C)CC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000344214587 217102728 /nfs/dbraw/zinc/10/27/28/217102728.db2.gz BSIKMXUOZVQIPR-DYVFJYSZSA-N 1 1 285.391 3.007 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1nnc(-c2ccccc2OC)o1 ZINC000158276596 372062398 /nfs/dbraw/zinc/06/23/98/372062398.db2.gz XRZUBAPLZAAKKD-UHFFFAOYSA-N 1 1 287.363 3.143 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)s1 ZINC000290894337 372071464 /nfs/dbraw/zinc/07/14/64/372071464.db2.gz LQVOYOKOGXABLF-LSDHHAIUSA-N 1 1 288.416 3.153 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)s1 ZINC000290894337 372071467 /nfs/dbraw/zinc/07/14/67/372071467.db2.gz LQVOYOKOGXABLF-LSDHHAIUSA-N 1 1 288.416 3.153 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@H](CSC)C2)ccc1C#N ZINC000292826151 372220071 /nfs/dbraw/zinc/22/00/71/372220071.db2.gz QNZYNEPGFSZSHM-AWEZNQCLSA-N 1 1 290.432 3.142 20 30 CGEDMO C[C@H](O)C[N@@H+](CC#Cc1ccc(F)cc1)C1CCCCC1 ZINC000159867968 372189658 /nfs/dbraw/zinc/18/96/58/372189658.db2.gz AJFYUYSVUKYVAX-HNNXBMFYSA-N 1 1 289.394 3.193 20 30 CGEDMO CC(C)[C@@]1(CO)CCC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000292906416 372244080 /nfs/dbraw/zinc/24/40/80/372244080.db2.gz ATWVOLQOQYHHCE-QAPCUYQASA-N 1 1 286.419 3.350 20 30 CGEDMO COCC[N@@H+](Cc1cc(C#N)cs1)Cc1ccccc1 ZINC000160452751 372248224 /nfs/dbraw/zinc/24/82/24/372248224.db2.gz NQYGZTKNLCGHPP-UHFFFAOYSA-N 1 1 286.400 3.268 20 30 CGEDMO COCC[N@@H+](Cc1cccc(F)c1C#N)[C@@H]1CCC[C@H]1C ZINC000428945167 372286647 /nfs/dbraw/zinc/28/66/47/372286647.db2.gz XGBCEZHMIZXALW-CXAGYDPISA-N 1 1 290.382 3.334 20 30 CGEDMO N#Cc1ccc(Cn2c[nH+]c3c2CCCC3)c(Cl)c1 ZINC000162960288 372437128 /nfs/dbraw/zinc/43/71/28/372437128.db2.gz QGRWYWVERMJNOB-UHFFFAOYSA-N 1 1 271.751 3.335 20 30 CGEDMO C=CCOCC[N@H+](CCCCOC)Cc1ccccc1 ZINC000293669632 372444395 /nfs/dbraw/zinc/44/43/95/372444395.db2.gz ZJWZFXKUCKPMPH-UHFFFAOYSA-N 1 1 277.408 3.118 20 30 CGEDMO Cc1ccc([C@]2(C)CC[N@@H+](CC3(C#N)CC3)C2)cc1 ZINC000434745170 372706850 /nfs/dbraw/zinc/70/68/50/372706850.db2.gz WJCNCIYEYFPMHO-MRXNPFEDSA-N 1 1 254.377 3.262 20 30 CGEDMO C=CCC[C@H]([NH2+]Cc1nn(CC)nc1C)c1ccccc1 ZINC000295665868 372869160 /nfs/dbraw/zinc/86/91/60/372869160.db2.gz JSNKYQUXUNKOPI-INIZCTEOSA-N 1 1 284.407 3.404 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC[C@H]1CCOC1 ZINC000438123799 372893420 /nfs/dbraw/zinc/89/34/20/372893420.db2.gz TYZDYCZUSRZAQU-CGTJXYLNSA-N 1 1 284.403 3.185 20 30 CGEDMO CC[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCOC(C)(C)C1 ZINC000289872986 197513477 /nfs/dbraw/zinc/51/34/77/197513477.db2.gz QXIXKPSRXZBFLS-MRXNPFEDSA-N 1 1 272.392 3.338 20 30 CGEDMO C#CCCC[N@@H+]1CCC[C@@H]1c1nc2cc(C)ccc2[nH]1 ZINC000295971798 372979151 /nfs/dbraw/zinc/97/91/51/372979151.db2.gz NNHLOVKJUVIWGH-MRXNPFEDSA-N 1 1 267.376 3.422 20 30 CGEDMO C#CCCC[N@H+]1CCC[C@@H]1c1nc2ccc(C)cc2[nH]1 ZINC000295971798 372979157 /nfs/dbraw/zinc/97/91/57/372979157.db2.gz NNHLOVKJUVIWGH-MRXNPFEDSA-N 1 1 267.376 3.422 20 30 CGEDMO CC#CCC[N@@H+](C[C@@H](C)O)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441255627 373000350 /nfs/dbraw/zinc/00/03/50/373000350.db2.gz FHNOVFKKAIJHSV-LSDHHAIUSA-N 1 1 293.838 3.367 20 30 CGEDMO CC#CCC[N@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440548436 372987735 /nfs/dbraw/zinc/98/77/35/372987735.db2.gz LRDLHDWLDUNCFP-VYDXJSESSA-N 1 1 261.409 3.069 20 30 CGEDMO Clc1ccccc1C#CC[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000441661724 373030627 /nfs/dbraw/zinc/03/06/27/373030627.db2.gz AOOQRJBYNVDSEX-CVEARBPZSA-N 1 1 289.806 3.050 20 30 CGEDMO C[C@@H]1C[C@H](C)CN(C(C)(C)C[NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000442722661 373069465 /nfs/dbraw/zinc/06/94/65/373069465.db2.gz XXYBOFCHALXAKO-FZKCQIBNSA-N 1 1 277.456 3.025 20 30 CGEDMO CSCCC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000173582443 373160138 /nfs/dbraw/zinc/16/01/38/373160138.db2.gz NSBVCFXXAPNZCC-UHFFFAOYSA-N 1 1 260.406 3.276 20 30 CGEDMO C=CC[C@H]1[N@@H+](CCn2c(C)csc2=O)CCCC1(C)C ZINC000444786478 373274187 /nfs/dbraw/zinc/27/41/87/373274187.db2.gz UWIINIQNOZTRBZ-CQSZACIVSA-N 1 1 294.464 3.285 20 30 CGEDMO CCSCC[C@H](C)[N@@H+](C)CCCSCC#N ZINC000174191045 373263987 /nfs/dbraw/zinc/26/39/87/373263987.db2.gz OJVPSTCARPTALZ-LBPRGKRZSA-N 1 1 260.472 3.097 20 30 CGEDMO C=CC[C@@H]1[N@@H+](CCCC(=O)OC)CCCC1(C)C ZINC000444779376 373271052 /nfs/dbraw/zinc/27/10/52/373271052.db2.gz KYZGXRLSMBAMAG-ZDUSSCGKSA-N 1 1 253.386 3.006 20 30 CGEDMO CC(C)COc1ccccc1C[NH2+]Cc1ccc(C#N)o1 ZINC000174297185 373286228 /nfs/dbraw/zinc/28/62/28/373286228.db2.gz ZPUGWQMZCGXYDC-UHFFFAOYSA-N 1 1 284.359 3.476 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](CC)C2)c1C ZINC000446716872 373344745 /nfs/dbraw/zinc/34/47/45/373344745.db2.gz NBANMOTUTXPMQH-HNNXBMFYSA-N 1 1 274.408 3.206 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2ccnn2CC)CCCC1(C)C ZINC000446826797 373368172 /nfs/dbraw/zinc/36/81/72/373368172.db2.gz KOAMQSHWRRDHQF-OAHLLOKOSA-N 1 1 261.413 3.470 20 30 CGEDMO C[C@@H](CNc1ccc(C#N)cc1)[N@H+]1CCc2ccccc2C1 ZINC000301100713 373660761 /nfs/dbraw/zinc/66/07/61/373660761.db2.gz PWQUPANAEFYWBE-HNNXBMFYSA-N 1 1 291.398 3.417 20 30 CGEDMO N#Cc1cccnc1N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000301111494 373664763 /nfs/dbraw/zinc/66/47/63/373664763.db2.gz YWFRVPHUQTVUTH-KRWDZBQOSA-N 1 1 292.386 3.030 20 30 CGEDMO N#Cc1cccnc1NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000301156189 373677115 /nfs/dbraw/zinc/67/71/15/373677115.db2.gz BQQURJBWLAXIMM-KRWDZBQOSA-N 1 1 298.434 3.410 20 30 CGEDMO N#CCCn1cc(C[N@H+]2CC[C@@H](F)C2)c(-c2ccccc2)n1 ZINC000449386154 373686169 /nfs/dbraw/zinc/68/61/69/373686169.db2.gz HHORBMVDOMUPOF-MRXNPFEDSA-N 1 1 298.365 3.008 20 30 CGEDMO N#CCCn1cc(C[N@@H+]2CC[C@@H](F)C2)c(-c2ccccc2)n1 ZINC000449386154 373686182 /nfs/dbraw/zinc/68/61/82/373686182.db2.gz HHORBMVDOMUPOF-MRXNPFEDSA-N 1 1 298.365 3.008 20 30 CGEDMO C=C(C)COc1cc(C[N@@H+]2CC[C@@H](F)C2)ccc1OC ZINC000449389143 373687292 /nfs/dbraw/zinc/68/72/92/373687292.db2.gz RKVNXXXNZAOQJA-CQSZACIVSA-N 1 1 279.355 3.194 20 30 CGEDMO C=C(C)COc1cc(C[N@H+]2CC[C@@H](F)C2)ccc1OC ZINC000449389143 373687295 /nfs/dbraw/zinc/68/72/95/373687295.db2.gz RKVNXXXNZAOQJA-CQSZACIVSA-N 1 1 279.355 3.194 20 30 CGEDMO CC[C@@H](C#N)Oc1cccc(CNc2cc(C)[nH+]c(C)n2)c1 ZINC000301267363 373721131 /nfs/dbraw/zinc/72/11/31/373721131.db2.gz INZXFASIPZPPJN-HNNXBMFYSA-N 1 1 296.374 3.387 20 30 CGEDMO CC(C)[N@@H+](CCCOc1cccc(C#N)c1)C1CC1 ZINC000178300691 373765394 /nfs/dbraw/zinc/76/53/94/373765394.db2.gz WYZUYLXJKJBBCM-UHFFFAOYSA-N 1 1 258.365 3.200 20 30 CGEDMO C=CCO[C@@H]1CCN(c2cc(C)[nH+]c3c(OC)cccc23)C1 ZINC000302194384 373826912 /nfs/dbraw/zinc/82/69/12/373826912.db2.gz WWBOHAPXKUWACH-CQSZACIVSA-N 1 1 298.386 3.333 20 30 CGEDMO CCc1ncc(C[NH2+]Cc2cccc(OCCCC#N)c2)o1 ZINC000449607404 373836072 /nfs/dbraw/zinc/83/60/72/373836072.db2.gz AQJJTEGNOXOVDR-UHFFFAOYSA-N 1 1 299.374 3.209 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]2c2ccncc2)c1 ZINC000179119413 373840476 /nfs/dbraw/zinc/84/04/76/373840476.db2.gz RXLRHUFEMFHIBK-KRWDZBQOSA-N 1 1 263.344 3.290 20 30 CGEDMO C=CC[NH+](CC=C)CC(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000070925984 541894108 /nfs/dbraw/zinc/89/41/08/541894108.db2.gz BHRRTTUKRUBACK-CYBMUJFWSA-N 1 1 292.810 3.191 20 30 CGEDMO CO[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)[C@H](C)C1 ZINC000302338556 373853988 /nfs/dbraw/zinc/85/39/88/373853988.db2.gz JVRXHZSXCPUORS-ZIAGYGMSSA-N 1 1 252.402 3.206 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CCCC[N@@H+]2CC)CCCC1 ZINC000449859381 373945835 /nfs/dbraw/zinc/94/58/35/373945835.db2.gz WBBFAXVBDYMOEI-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO Cc1cc(Cl)cc(C[N@@H+](CCC#N)CC2CC2)c1O ZINC000180058342 373962268 /nfs/dbraw/zinc/96/22/68/373962268.db2.gz TYXKABQVSFSMKI-UHFFFAOYSA-N 1 1 278.783 3.480 20 30 CGEDMO Cc1ccc(NCCC[N@H+](C)Cc2ccccc2)nc1C#N ZINC000302723307 373940919 /nfs/dbraw/zinc/94/09/19/373940919.db2.gz QMFWGKHFZXOCCB-UHFFFAOYSA-N 1 1 294.402 3.196 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC000449937822 373977266 /nfs/dbraw/zinc/97/72/66/373977266.db2.gz DAZHYIFHBLBYEL-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC1(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1 ZINC000449989883 373980793 /nfs/dbraw/zinc/98/07/93/373980793.db2.gz VNRFDDLCMQIYNQ-GJZGRUSLSA-N 1 1 278.440 3.064 20 30 CGEDMO N#CC1(C[N@@H+]2CCSC[C@@H]2c2ccccc2)CCC1 ZINC000450409148 374108605 /nfs/dbraw/zinc/10/86/05/374108605.db2.gz KFMKVOLOHMRMKN-OAHLLOKOSA-N 1 1 272.417 3.470 20 30 CGEDMO N#CC1(C[N@H+]2CCSC[C@@H]2c2ccccc2)CCC1 ZINC000450409148 374108609 /nfs/dbraw/zinc/10/86/09/374108609.db2.gz KFMKVOLOHMRMKN-OAHLLOKOSA-N 1 1 272.417 3.470 20 30 CGEDMO C[C@@H](C#N)C[N@H+](CCCC(=O)c1ccc(F)cc1)C1CC1 ZINC000450612948 374164633 /nfs/dbraw/zinc/16/46/33/374164633.db2.gz LLKPIKBBIZAHLV-ZDUSSCGKSA-N 1 1 288.366 3.413 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](CCCC(=O)c1ccc(F)cc1)C1CC1 ZINC000450612948 374164644 /nfs/dbraw/zinc/16/46/44/374164644.db2.gz LLKPIKBBIZAHLV-ZDUSSCGKSA-N 1 1 288.366 3.413 20 30 CGEDMO C=CCC1(C(=O)N(C)CC[N@@H+](C)C2CC2)CCCCC1 ZINC000450696364 374173038 /nfs/dbraw/zinc/17/30/38/374173038.db2.gz GJQZUBBYJCYMNU-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)[C@H](C)C1 ZINC000311271990 374237563 /nfs/dbraw/zinc/23/75/63/374237563.db2.gz SLFSCDAKVDQASQ-BXUZGUMPSA-N 1 1 278.783 3.211 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCCNc1nc2c(cc1C#N)CCC2 ZINC000314573094 374319693 /nfs/dbraw/zinc/31/96/93/374319693.db2.gz ABRWRPARNBJEKB-CQSZACIVSA-N 1 1 298.434 3.118 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2ccn(-c3ccccc3)n2)cc1 ZINC000315027221 374325484 /nfs/dbraw/zinc/32/54/84/374325484.db2.gz MAIWAMXKCJLGNY-UHFFFAOYSA-N 1 1 288.354 3.034 20 30 CGEDMO CC[C@H]1C[N@@H+](CCCCC#N)CCN1Cc1ccccc1 ZINC000183746586 374449332 /nfs/dbraw/zinc/44/93/32/374449332.db2.gz FHADCYKFYKOROU-SFHVURJKSA-N 1 1 285.435 3.277 20 30 CGEDMO CC[C@H]1CN(CCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000183746586 374449342 /nfs/dbraw/zinc/44/93/42/374449342.db2.gz FHADCYKFYKOROU-SFHVURJKSA-N 1 1 285.435 3.277 20 30 CGEDMO CC[C@H]1CN(CCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000183746586 374449349 /nfs/dbraw/zinc/44/93/49/374449349.db2.gz FHADCYKFYKOROU-SFHVURJKSA-N 1 1 285.435 3.277 20 30 CGEDMO C=CCC[N@H+](CC)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000183769499 374454280 /nfs/dbraw/zinc/45/42/80/374454280.db2.gz LVEQGOVJZQYIPK-QGZVFWFLSA-N 1 1 258.409 3.159 20 30 CGEDMO C[C@H](CNC(=O)c1cccc(CC#N)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000330638237 374486420 /nfs/dbraw/zinc/48/64/20/374486420.db2.gz BMNPLPUPRGGDFJ-HUUCEWRRSA-N 1 1 299.418 3.178 20 30 CGEDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccn1 ZINC000330443745 374466322 /nfs/dbraw/zinc/46/63/22/374466322.db2.gz BPWCMJGNKXDKNP-CQSZACIVSA-N 1 1 290.411 3.062 20 30 CGEDMO CC(C)C[C@@H](CO)[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000185343938 374642957 /nfs/dbraw/zinc/64/29/57/374642957.db2.gz FKCMCCNXXWAGGT-HNNXBMFYSA-N 1 1 280.799 3.050 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000334218771 374658567 /nfs/dbraw/zinc/65/85/67/374658567.db2.gz UAINVIOPNVLCFG-KBXCAEBGSA-N 1 1 284.403 3.368 20 30 CGEDMO CC[C@H]1[C@H](C)CC[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000185635585 374701957 /nfs/dbraw/zinc/70/19/57/374701957.db2.gz BOSHWSDZCQRHAJ-WBVHZDCISA-N 1 1 299.418 3.054 20 30 CGEDMO N#C[C@@H]1CC[C@@H](N2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC000334558104 374855312 /nfs/dbraw/zinc/85/53/12/374855312.db2.gz JYKRGGIZDLFOIO-QZTJIDSGSA-N 1 1 289.467 3.267 20 30 CGEDMO C=C(C)[C@@H]([NH2+]C1CCN(C)CC1)c1ccc(F)c(F)c1 ZINC000186455192 374855686 /nfs/dbraw/zinc/85/56/86/374855686.db2.gz GHVIMEIEWSAEFC-MRXNPFEDSA-N 1 1 280.362 3.266 20 30 CGEDMO Cn1cc(C[NH+]2CC(c3cccc(Cl)c3)C2)cc1C#N ZINC000334618453 374910387 /nfs/dbraw/zinc/91/03/87/374910387.db2.gz FCZBZFUQUDUAAF-UHFFFAOYSA-N 1 1 285.778 3.150 20 30 CGEDMO C=CCOCCC[N@H+]1CCOC2(C1)CCCCCC2 ZINC000470772091 374999551 /nfs/dbraw/zinc/99/95/51/374999551.db2.gz JEOJMBLLLRVPEM-UHFFFAOYSA-N 1 1 267.413 3.004 20 30 CGEDMO C=C(C)C[N@@H+](CC(=O)NC(C)(C)CC)Cc1ccccc1 ZINC000470911747 375001299 /nfs/dbraw/zinc/00/12/99/375001299.db2.gz XWAAPQRPZHCQDN-UHFFFAOYSA-N 1 1 288.435 3.370 20 30 CGEDMO C=C(C)C[N@H+](CC(=O)NC(C)(C)CC)Cc1ccccc1 ZINC000470911747 375001308 /nfs/dbraw/zinc/00/13/08/375001308.db2.gz XWAAPQRPZHCQDN-UHFFFAOYSA-N 1 1 288.435 3.370 20 30 CGEDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000470950960 375001595 /nfs/dbraw/zinc/00/15/95/375001595.db2.gz ZYCHJMZCOGLGAF-FZMZJTMJSA-N 1 1 285.284 3.450 20 30 CGEDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000470950960 375001600 /nfs/dbraw/zinc/00/16/00/375001600.db2.gz ZYCHJMZCOGLGAF-FZMZJTMJSA-N 1 1 285.284 3.450 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+](CC(=C)C)Cc1ccccc1 ZINC000470905712 375001841 /nfs/dbraw/zinc/00/18/41/375001841.db2.gz IRFJUGCCCPBKGZ-UHFFFAOYSA-N 1 1 298.430 3.265 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+](CC(=C)C)Cc1ccccc1 ZINC000470905712 375001844 /nfs/dbraw/zinc/00/18/44/375001844.db2.gz IRFJUGCCCPBKGZ-UHFFFAOYSA-N 1 1 298.430 3.265 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000472753751 375033078 /nfs/dbraw/zinc/03/30/78/375033078.db2.gz PVQDXQFBIXHLQJ-QZTJIDSGSA-N 1 1 273.420 3.268 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](CC)Cc1ccc(Cl)cc1 ZINC000472760700 375034087 /nfs/dbraw/zinc/03/40/87/375034087.db2.gz ZVVGMRXCBXCXSE-OAHLLOKOSA-N 1 1 267.800 3.489 20 30 CGEDMO C=CCCC[N@H+](C)Cc1nn(CC)c2ccccc21 ZINC000473143136 375046252 /nfs/dbraw/zinc/04/62/52/375046252.db2.gz SYXCWCUDAYSFGZ-UHFFFAOYSA-N 1 1 257.381 3.454 20 30 CGEDMO C[C@@H]1CCCC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000187981496 375131186 /nfs/dbraw/zinc/13/11/86/375131186.db2.gz TTYQQPGHZMBHBX-CQSZACIVSA-N 1 1 285.391 3.009 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000481273441 375164201 /nfs/dbraw/zinc/16/42/01/375164201.db2.gz YMMZKGBLSCQUCQ-CABCVRRESA-N 1 1 286.419 3.251 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000481273441 375164207 /nfs/dbraw/zinc/16/42/07/375164207.db2.gz YMMZKGBLSCQUCQ-CABCVRRESA-N 1 1 286.419 3.251 20 30 CGEDMO CC#CCC[NH2+][C@@H](CCc1ccccc1)C(F)F ZINC000482154846 375167675 /nfs/dbraw/zinc/16/76/75/375167675.db2.gz XNSZSGIEUOUEJK-AWEZNQCLSA-N 1 1 251.320 3.256 20 30 CGEDMO C=CC[N@H+](CCCC(=O)OCC)CC1CCCCC1 ZINC000484692844 375189165 /nfs/dbraw/zinc/18/91/65/375189165.db2.gz ZDBHGRRPCULIGH-UHFFFAOYSA-N 1 1 267.413 3.398 20 30 CGEDMO C=CC[N@H+](CCOC)[C@H](C)c1ccc(OC(F)F)cc1 ZINC000484581200 375189438 /nfs/dbraw/zinc/18/94/38/375189438.db2.gz GCKWMVQVEHPZPV-GFCCVEGCSA-N 1 1 285.334 3.483 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000335417266 375275846 /nfs/dbraw/zinc/27/58/46/375275846.db2.gz MEPBGUIPHDTDRH-CQSZACIVSA-N 1 1 281.334 3.082 20 30 CGEDMO COc1cc(C[N@@H+](C)Cc2ccc(C#N)c(C)c2)ccc1O ZINC000487858049 375278755 /nfs/dbraw/zinc/27/87/55/375278755.db2.gz JCYCGXLWXJTVDD-UHFFFAOYSA-N 1 1 296.370 3.213 20 30 CGEDMO COCC[N@@H+](Cc1cccc(C#N)c1)[C@@H]1CCC[C@@H]1C ZINC000487989837 375292447 /nfs/dbraw/zinc/29/24/47/375292447.db2.gz QGVSLJCYODZWBQ-WMLDXEAASA-N 1 1 272.392 3.195 20 30 CGEDMO CC(C)[N@@H+](CC[C@@H]1CCCO1)Cc1ccc(C#N)cc1 ZINC000188924642 375292849 /nfs/dbraw/zinc/29/28/49/375292849.db2.gz ZFUMLPWXFWOYRN-KRWDZBQOSA-N 1 1 272.392 3.338 20 30 CGEDMO Cc1ccc(-n2cnc3c2CC[N@@H+](CCCCC#N)C3)cc1 ZINC000488011214 375296330 /nfs/dbraw/zinc/29/63/30/375296330.db2.gz QXHIXUCYNSAEPB-UHFFFAOYSA-N 1 1 294.402 3.233 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](CCCc1cccc(F)c1)C1CC1 ZINC000492995948 375459494 /nfs/dbraw/zinc/45/94/94/375459494.db2.gz UOZIYDJDVNVISE-ZDUSSCGKSA-N 1 1 260.356 3.382 20 30 CGEDMO CO[C@@]1(C)CCC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000335763652 375410297 /nfs/dbraw/zinc/41/02/97/375410297.db2.gz QETKMOBPMABRNQ-CJNGLKHVSA-N 1 1 258.365 3.120 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(Br)cc1C ZINC000494636278 375490356 /nfs/dbraw/zinc/49/03/56/375490356.db2.gz XULQMNCIPQLQRP-UHFFFAOYSA-N 1 1 254.171 3.375 20 30 CGEDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cccc(C#N)c1 ZINC000335881587 375509592 /nfs/dbraw/zinc/50/95/92/375509592.db2.gz PCEBSZWCLCICHA-MFKMUULPSA-N 1 1 268.282 3.331 20 30 CGEDMO C=CC[N@@H+](CCOC)CCSc1ccccc1F ZINC000191126911 375581647 /nfs/dbraw/zinc/58/16/47/375581647.db2.gz YKVPDFCTFKMKMR-UHFFFAOYSA-N 1 1 269.385 3.052 20 30 CGEDMO C[C@@H]1[N@@H+](Cc2cc(C#N)cs2)CCC12CCOCC2 ZINC000336009106 375613627 /nfs/dbraw/zinc/61/36/27/375613627.db2.gz ATCDPFFBBXKSBH-LBPRGKRZSA-N 1 1 276.405 3.011 20 30 CGEDMO Cn1cc(C[N@@H+](C)Cc2cc3ccccc3o2)cc1C#N ZINC000191406545 375624777 /nfs/dbraw/zinc/62/47/77/375624777.db2.gz KNWLAHRSFHUBID-UHFFFAOYSA-N 1 1 279.343 3.275 20 30 CGEDMO CC[N@H+]1C[C@H](C)N(Cc2ccccc2C(C)(C)C#N)C[C@@H]1C ZINC000498922301 375629264 /nfs/dbraw/zinc/62/92/64/375629264.db2.gz KZRJTIONPFRZGP-HOTGVXAUSA-N 1 1 299.462 3.402 20 30 CGEDMO CCN1C[C@H](C)[N@H+](Cc2ccccc2C(C)(C)C#N)C[C@@H]1C ZINC000498922301 375629269 /nfs/dbraw/zinc/62/92/69/375629269.db2.gz KZRJTIONPFRZGP-HOTGVXAUSA-N 1 1 299.462 3.402 20 30 CGEDMO CCN1C[C@H](C)[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@@H]1C ZINC000498922301 375629272 /nfs/dbraw/zinc/62/92/72/375629272.db2.gz KZRJTIONPFRZGP-HOTGVXAUSA-N 1 1 299.462 3.402 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccc(SC)cc1 ZINC000191757478 375659412 /nfs/dbraw/zinc/65/94/12/375659412.db2.gz HHVUSQZCNNEFEP-UHFFFAOYSA-N 1 1 251.395 3.043 20 30 CGEDMO C[N@@H+](CCc1cccs1)Cc1ccc(C#N)c(F)c1 ZINC000192046328 375694510 /nfs/dbraw/zinc/69/45/10/375694510.db2.gz AMPJTRCBMPEODY-UHFFFAOYSA-N 1 1 274.364 3.433 20 30 CGEDMO Cc1cccc2ncc(C[N@@H+](C)Cc3cccc(C#N)c3)n21 ZINC000507207347 375686953 /nfs/dbraw/zinc/68/69/53/375686953.db2.gz BVCOETGHIQTCJZ-UHFFFAOYSA-N 1 1 290.370 3.146 20 30 CGEDMO Cc1cccc2ncc(C[N@H+](C)Cc3cccc(C#N)c3)n21 ZINC000507207347 375686958 /nfs/dbraw/zinc/68/69/58/375686958.db2.gz BVCOETGHIQTCJZ-UHFFFAOYSA-N 1 1 290.370 3.146 20 30 CGEDMO COCc1ccccc1/C=C(/C)C[N@H+](C)C[C@@H](C)C#N ZINC000507580616 375715728 /nfs/dbraw/zinc/71/57/28/375715728.db2.gz HBCMQJKHGKQFAY-MZLJFPOFSA-N 1 1 272.392 3.328 20 30 CGEDMO COCc1ccccc1/C=C(/C)C[N@@H+](C)C[C@@H](C)C#N ZINC000507580616 375715738 /nfs/dbraw/zinc/71/57/38/375715738.db2.gz HBCMQJKHGKQFAY-MZLJFPOFSA-N 1 1 272.392 3.328 20 30 CGEDMO CC1(C)C[N@H+](Cc2cccc(C#N)c2F)[C@H]1[C@@H]1CCCO1 ZINC000336395116 375786600 /nfs/dbraw/zinc/78/66/00/375786600.db2.gz FSZVRKNVLGUOBT-HOCLYGCPSA-N 1 1 288.366 3.087 20 30 CGEDMO CC1(C)C[N@@H+](Cc2cccc(C#N)c2F)[C@H]1[C@@H]1CCCO1 ZINC000336395116 375786604 /nfs/dbraw/zinc/78/66/04/375786604.db2.gz FSZVRKNVLGUOBT-HOCLYGCPSA-N 1 1 288.366 3.087 20 30 CGEDMO C=C(C)CC[N@@H+](Cc1ccccc1)C[C@H](C)C(=O)OC ZINC000509909618 375783586 /nfs/dbraw/zinc/78/35/86/375783586.db2.gz IILMAQMZISSUCY-HNNXBMFYSA-N 1 1 275.392 3.264 20 30 CGEDMO Cc1ccc2nc(C[NH2+][C@@H]3CCC[C@H](C#N)C3)[nH]c2c1 ZINC000336251900 375765118 /nfs/dbraw/zinc/76/51/18/375765118.db2.gz KSKDQTCENSJZEP-QWHCGFSZSA-N 1 1 268.364 3.043 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000514928531 375807834 /nfs/dbraw/zinc/80/78/34/375807834.db2.gz BMXPIFIUWPQLKN-UHFFFAOYSA-N 1 1 278.827 3.424 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000511627378 375791392 /nfs/dbraw/zinc/79/13/92/375791392.db2.gz NDTSNRFTALUBGG-STQMWFEESA-N 1 1 279.346 3.226 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC000528720349 375909010 /nfs/dbraw/zinc/90/90/10/375909010.db2.gz OSXPSXXQAUKQPY-CYBMUJFWSA-N 1 1 299.336 3.391 20 30 CGEDMO C[C@H](O)C[N@@H+](Cc1cc(C#N)cs1)Cc1ccccc1 ZINC000535805475 376064394 /nfs/dbraw/zinc/06/43/94/376064394.db2.gz UXEWCSZTZRSEEJ-ZDUSSCGKSA-N 1 1 286.400 3.003 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000337258386 376171712 /nfs/dbraw/zinc/17/17/12/376171712.db2.gz UYQBPJYTYAXXBV-OAHLLOKOSA-N 1 1 262.397 3.127 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1sccc1C ZINC000337329770 376212929 /nfs/dbraw/zinc/21/29/29/376212929.db2.gz FXGDMLGXLYFFNA-CQSZACIVSA-N 1 1 292.448 3.077 20 30 CGEDMO C=C(CC)C[N@H+](C)C1(C(=O)OCC)CCCCC1 ZINC000538013863 376219069 /nfs/dbraw/zinc/21/90/69/376219069.db2.gz JYFMILXVLHXDOG-UHFFFAOYSA-N 1 1 253.386 3.150 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000538371419 376236975 /nfs/dbraw/zinc/23/69/75/376236975.db2.gz QHOANZRPSZFKAS-XHSDSOJGSA-N 1 1 295.471 3.245 20 30 CGEDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1cccc(C#N)c1F ZINC000222572136 376238664 /nfs/dbraw/zinc/23/86/64/376238664.db2.gz MPOHCWUYOAGAEK-CZUORRHYSA-N 1 1 290.382 3.213 20 30 CGEDMO COc1ccc([C@H](C)C[N@@H+](C[C@@H](C)C#N)C2CC2)cc1 ZINC000539408528 376309947 /nfs/dbraw/zinc/30/99/47/376309947.db2.gz WAUSUKVNOCBOLS-UONOGXRCSA-N 1 1 272.392 3.423 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C[C@H]1CCCC(F)(F)C1)C1CC1 ZINC000338286609 376314265 /nfs/dbraw/zinc/31/42/65/376314265.db2.gz NJSHKNHBKDDYQS-RYUDHWBXSA-N 1 1 256.340 3.436 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000539887701 376346098 /nfs/dbraw/zinc/34/60/98/376346098.db2.gz UUMBJNVNGQXWTL-WWGRRREGSA-N 1 1 277.383 3.460 20 30 CGEDMO C[C@H](O)C[N@H+](Cc1ccccc1)Cc1cccc(C#N)c1F ZINC000539248525 376300002 /nfs/dbraw/zinc/30/00/02/376300002.db2.gz VJARJHMBNPTHJT-AWEZNQCLSA-N 1 1 298.361 3.080 20 30 CGEDMO C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cccc(C#N)c1F ZINC000539248525 376300008 /nfs/dbraw/zinc/30/00/08/376300008.db2.gz VJARJHMBNPTHJT-AWEZNQCLSA-N 1 1 298.361 3.080 20 30 CGEDMO C=C(CC)C[N@@H+](C)CCCOc1cc(OC)cc(OC)c1 ZINC000540202770 376365433 /nfs/dbraw/zinc/36/54/33/376365433.db2.gz KYIPENYHCJDBCR-UHFFFAOYSA-N 1 1 293.407 3.371 20 30 CGEDMO Cc1cccc(C[N@H+](C)Cc2ccc(F)c(C#N)c2)n1 ZINC000229750989 376471922 /nfs/dbraw/zinc/47/19/22/376471922.db2.gz APKMTAIKRMNCAZ-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO Cc1cccc(C[N@@H+](C)Cc2ccc(F)c(C#N)c2)n1 ZINC000229750989 376471933 /nfs/dbraw/zinc/47/19/33/376471933.db2.gz APKMTAIKRMNCAZ-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO Cc1[nH+]ccn1-c1ccccc1CNc1cccc(C#N)n1 ZINC000338720852 376501198 /nfs/dbraw/zinc/50/11/98/376501198.db2.gz ZYQJEKYBZOOPCU-UHFFFAOYSA-N 1 1 289.342 3.060 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)c(OC)c1)C1CCCC1 ZINC000233463190 376598062 /nfs/dbraw/zinc/59/80/62/376598062.db2.gz CMCHKVGQGUXCEW-UHFFFAOYSA-N 1 1 258.365 3.331 20 30 CGEDMO CC[N@@H+](Cc1ccc(-c2cnn(C)c2)s1)C[C@@H](C)C#N ZINC000338946348 376592223 /nfs/dbraw/zinc/59/22/23/376592223.db2.gz IGXQJRBVARNWAA-LBPRGKRZSA-N 1 1 288.420 3.130 20 30 CGEDMO CC[N@H+](Cc1ccc(-c2cnn(C)c2)s1)C[C@@H](C)C#N ZINC000338946348 376592234 /nfs/dbraw/zinc/59/22/34/376592234.db2.gz IGXQJRBVARNWAA-LBPRGKRZSA-N 1 1 288.420 3.130 20 30 CGEDMO COc1cc(C[N@H+]2C[C@H](C)C[C@@H](C)[C@@H]2C)ccc1C#N ZINC000235009267 376629359 /nfs/dbraw/zinc/62/93/59/376629359.db2.gz DUEILJSFKWYEHJ-MCIONIFRSA-N 1 1 272.392 3.433 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCCNc1nc(Cl)c(C#N)s1 ZINC000235538510 376643712 /nfs/dbraw/zinc/64/37/12/376643712.db2.gz OEYUVKXNCBQZGT-JTQLQIEISA-N 1 1 298.843 3.345 20 30 CGEDMO C=CC[N@H+](Cc1cc2c(cc1OC)C[C@@H](C)O2)C1CC1 ZINC000543624162 376661313 /nfs/dbraw/zinc/66/13/13/376661313.db2.gz MIVGFBPDPOBPDD-GFCCVEGCSA-N 1 1 273.376 3.169 20 30 CGEDMO C=CCOCC[N@H+](CC)Cc1c[nH]c2ccccc12 ZINC000339113319 376687389 /nfs/dbraw/zinc/68/73/89/376687389.db2.gz AZCMRNHWGMEILZ-UHFFFAOYSA-N 1 1 258.365 3.192 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000544186640 376714353 /nfs/dbraw/zinc/71/43/53/376714353.db2.gz BAGOQYXDZABHNN-IAGOWNOFSA-N 1 1 259.393 3.111 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000544442717 376737382 /nfs/dbraw/zinc/73/73/82/376737382.db2.gz UMYPGOKICXBMRY-KBRIMQKVSA-N 1 1 286.419 3.348 20 30 CGEDMO CCc1nocc1C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000339600851 376769248 /nfs/dbraw/zinc/76/92/48/376769248.db2.gz DKSVIFMMZSHITR-LBPRGKRZSA-N 1 1 269.348 3.302 20 30 CGEDMO CCc1nocc1C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000339600851 376769260 /nfs/dbraw/zinc/76/92/60/376769260.db2.gz DKSVIFMMZSHITR-LBPRGKRZSA-N 1 1 269.348 3.302 20 30 CGEDMO C=C[C@@H](CC(=O)NCC[N@@H+]1CC=C(C)CC1)c1ccccc1 ZINC000545162207 376792498 /nfs/dbraw/zinc/79/24/98/376792498.db2.gz FNAADAUQFWLNRN-KRWDZBQOSA-N 1 1 298.430 3.115 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H](OCC)C2)cc1 ZINC000155489161 542123645 /nfs/dbraw/zinc/12/36/45/542123645.db2.gz YVIHNRDAVLIIFJ-KRWDZBQOSA-N 1 1 275.392 3.252 20 30 CGEDMO CC(C)[C@]1(CO)CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000339705137 376817387 /nfs/dbraw/zinc/81/73/87/376817387.db2.gz DXUKVCUYDBRCIY-MRXNPFEDSA-N 1 1 266.429 3.047 20 30 CGEDMO C=CCOCC[N@@H+]1C[C@@H](c2ccc(C)cc2)C[C@@H]1C ZINC000555462941 376855938 /nfs/dbraw/zinc/85/59/38/376855938.db2.gz UDJHRFXHSBULLS-RDJZCZTQSA-N 1 1 259.393 3.375 20 30 CGEDMO N#CC1(C[NH2+]Cc2cccc(C(F)(F)F)c2)CC1 ZINC000555708634 376858001 /nfs/dbraw/zinc/85/80/01/376858001.db2.gz OOTNRLROMBVXBQ-UHFFFAOYSA-N 1 1 254.255 3.099 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](Cc2cn3ccccc3c2C#N)CCCO1 ZINC000339820840 376861084 /nfs/dbraw/zinc/86/10/84/376861084.db2.gz MMICUVWSZWQWOU-GOSISDBHSA-N 1 1 297.402 3.058 20 30 CGEDMO C=CCC[C@H](NCC[N@H+]1CC[C@H](C)C1)c1ccco1 ZINC000556874039 376894812 /nfs/dbraw/zinc/89/48/12/376894812.db2.gz ZOQRGLJFJAQHGR-GJZGRUSLSA-N 1 1 262.397 3.218 20 30 CGEDMO C=CCC[C@H](NCC[N@@H+]1CC[C@H](C)C1)c1ccco1 ZINC000556874039 376894825 /nfs/dbraw/zinc/89/48/25/376894825.db2.gz ZOQRGLJFJAQHGR-GJZGRUSLSA-N 1 1 262.397 3.218 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](C)C[C@@H]2CCCC[C@H]2O)c1 ZINC000246027012 376954935 /nfs/dbraw/zinc/95/49/35/376954935.db2.gz VQPYYBRJLAAIEG-FUHWJXTLSA-N 1 1 289.419 3.234 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1C ZINC000246065592 376959886 /nfs/dbraw/zinc/95/98/86/376959886.db2.gz WZVLMSBSUZKQTD-RDJZCZTQSA-N 1 1 259.393 3.459 20 30 CGEDMO Clc1ccc(C#CC[N@H+]2CC[C@H]3OCCC[C@H]3C2)cc1 ZINC000246418843 377026381 /nfs/dbraw/zinc/02/63/81/377026381.db2.gz AKSZQEIVFKTHIK-DOTOQJQBSA-N 1 1 289.806 3.192 20 30 CGEDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1C[C@@H](C#N)CCC#N ZINC000246218366 376992210 /nfs/dbraw/zinc/99/22/10/376992210.db2.gz ZBPOWXRRBRKEAI-BFYDXBDKSA-N 1 1 267.376 3.308 20 30 CGEDMO C[N@@H+](CCOc1cccc(C#N)c1)[C@H]1CCC(C)(C)C1 ZINC000558388616 376999032 /nfs/dbraw/zinc/99/90/32/376999032.db2.gz HQLHADWKYUJMAR-HNNXBMFYSA-N 1 1 272.392 3.448 20 30 CGEDMO C=CCCC(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000264730535 190131494 /nfs/dbraw/zinc/13/14/94/190131494.db2.gz IGEVZVUYBGTBGL-UHFFFAOYSA-N 1 1 274.408 3.109 20 30 CGEDMO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NCc1ccc(C#N)s1 ZINC000247379648 377199443 /nfs/dbraw/zinc/19/94/43/377199443.db2.gz UDANGIYTWYZNBU-MCIONIFRSA-N 1 1 291.464 3.076 20 30 CGEDMO C=CCCCCCN(C)C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000562253551 377286477 /nfs/dbraw/zinc/28/64/77/377286477.db2.gz VENPSGBDGLWGLN-HNNXBMFYSA-N 1 1 283.460 3.103 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000248610164 377364014 /nfs/dbraw/zinc/36/40/14/377364014.db2.gz FTUHDTJLZPPSIM-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000248608686 377365033 /nfs/dbraw/zinc/36/50/33/377365033.db2.gz FAJZSCHPMFJHEK-OWCLPIDISA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCOCCNCc1[nH+]c(C(C)C)n2ccccc12 ZINC000565544852 377487415 /nfs/dbraw/zinc/48/74/15/377487415.db2.gz SYHBPLHOIGOTRM-UHFFFAOYSA-N 1 1 287.407 3.140 20 30 CGEDMO C=C(C)COc1cccc(NCc2c[nH+]c(C)n2C)c1 ZINC000568269450 377517719 /nfs/dbraw/zinc/51/77/19/377517719.db2.gz LOJAOUFMCPCSBS-UHFFFAOYSA-N 1 1 271.364 3.296 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1ccccc1C(C)(C)C#N ZINC000568182526 377516008 /nfs/dbraw/zinc/51/60/08/377516008.db2.gz RQKAADHYDZEIPH-CQSZACIVSA-N 1 1 255.365 3.270 20 30 CGEDMO C=C(C)[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(F)c(F)c1 ZINC000573221016 377554247 /nfs/dbraw/zinc/55/42/47/377554247.db2.gz WZYNADZRLJYBDX-XEZPLFJOSA-N 1 1 280.362 3.442 20 30 CGEDMO CC[N@H+](CCC1CC1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459408579 249150022 /nfs/dbraw/zinc/15/00/22/249150022.db2.gz XMYJURWHGBFDGE-UHFFFAOYSA-N 1 1 273.336 3.088 20 30 CGEDMO CC[N@@H+](CCC1CC1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459408579 249150023 /nfs/dbraw/zinc/15/00/23/249150023.db2.gz XMYJURWHGBFDGE-UHFFFAOYSA-N 1 1 273.336 3.088 20 30 CGEDMO CC1(C)C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@H]2CCC[C@H]21 ZINC000459493710 249152160 /nfs/dbraw/zinc/15/21/60/249152160.db2.gz ZZHMUTJCRHQGHA-ZBFHGGJFSA-N 1 1 299.374 3.477 20 30 CGEDMO CCCC[C@H](C)[N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459499831 249152211 /nfs/dbraw/zinc/15/22/11/249152211.db2.gz MEZIIZWKUZSMCY-LBPRGKRZSA-N 1 1 275.352 3.477 20 30 CGEDMO CCCC[C@H](C)[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459499831 249152213 /nfs/dbraw/zinc/15/22/13/249152213.db2.gz MEZIIZWKUZSMCY-LBPRGKRZSA-N 1 1 275.352 3.477 20 30 CGEDMO C[C@@H](C1CCCCC1)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000574463086 377667690 /nfs/dbraw/zinc/66/76/90/377667690.db2.gz OUIXNEKQJIEMJU-ZDUSSCGKSA-N 1 1 257.381 3.354 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253096380 377676468 /nfs/dbraw/zinc/67/64/68/377676468.db2.gz QGSWSRFRRZWTQH-BZUAXINKSA-N 1 1 251.414 3.358 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000342730275 377761089 /nfs/dbraw/zinc/76/10/89/377761089.db2.gz JIBRFAQJBGIALT-HNNXBMFYSA-N 1 1 274.408 3.447 20 30 CGEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C ZINC000342735228 377764348 /nfs/dbraw/zinc/76/43/48/377764348.db2.gz PASPRYASEBOFLV-LBPRGKRZSA-N 1 1 280.799 3.483 20 30 CGEDMO CC(C)C[C@]1(C)CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000575327023 377879264 /nfs/dbraw/zinc/87/92/64/377879264.db2.gz MZNNFRZCEPETLU-INIZCTEOSA-N 1 1 257.381 3.354 20 30 CGEDMO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)CC1(C#N)CC1 ZINC000343319773 377952210 /nfs/dbraw/zinc/95/22/10/377952210.db2.gz JMRKGTPZPNAUEB-MRXNPFEDSA-N 1 1 270.376 3.308 20 30 CGEDMO CCOC[C@@H]1CCC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000343529287 378007520 /nfs/dbraw/zinc/00/75/20/378007520.db2.gz NDBOINHYIBQZNQ-QGZVFWFLSA-N 1 1 272.392 3.001 20 30 CGEDMO C=CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000343526530 378008201 /nfs/dbraw/zinc/00/82/01/378008201.db2.gz PENYOHBYMBRXLH-NVXWUHKLSA-N 1 1 286.419 3.122 20 30 CGEDMO C=CCCC[C@@H](C)NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000343526530 378008203 /nfs/dbraw/zinc/00/82/03/378008203.db2.gz PENYOHBYMBRXLH-NVXWUHKLSA-N 1 1 286.419 3.122 20 30 CGEDMO C=CCC[N@H+]1Cc2ccccc2C[C@@H]1c1nnc(C)o1 ZINC000265853818 378011072 /nfs/dbraw/zinc/01/10/72/378011072.db2.gz ZEUOMGYZTGVXNQ-OAHLLOKOSA-N 1 1 269.348 3.054 20 30 CGEDMO C=CCC[N@@H+]1Cc2ccccc2C[C@@H]1c1nnc(C)o1 ZINC000265853818 378011078 /nfs/dbraw/zinc/01/10/78/378011078.db2.gz ZEUOMGYZTGVXNQ-OAHLLOKOSA-N 1 1 269.348 3.054 20 30 CGEDMO CCOc1ccc([C@@H](C)[NH2+]CC2(C#N)CC2)cc1OC ZINC000343584386 378028990 /nfs/dbraw/zinc/02/89/90/378028990.db2.gz OINMHVVINHRCCB-GFCCVEGCSA-N 1 1 274.364 3.048 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCCO[C@H](CC)C2)cc1 ZINC000343654870 378055478 /nfs/dbraw/zinc/05/54/78/378055478.db2.gz IATRAEMVCVYMFW-MRXNPFEDSA-N 1 1 275.392 3.252 20 30 CGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CC[C@H](c3ccccc3)C2)cc1 ZINC000268646877 378085416 /nfs/dbraw/zinc/08/54/16/378085416.db2.gz FSSKUFCRKPQRTM-RBUKOAKNSA-N 1 1 292.382 3.081 20 30 CGEDMO Cc1nc(C)c(CO[NH+]=C(N)C2CCCCC2)s1 ZINC000266359209 378020721 /nfs/dbraw/zinc/02/07/21/378020721.db2.gz YTBFSEOIUODMTA-UHFFFAOYSA-N 1 1 267.398 3.129 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@@H](CC)CC1 ZINC000343911927 378132436 /nfs/dbraw/zinc/13/24/36/378132436.db2.gz FGALOPCJKOGQBP-JKSUJKDBSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2C[C@H](C)OC3(CCC3)C2)cc1 ZINC000578869318 378106914 /nfs/dbraw/zinc/10/69/14/378106914.db2.gz HDNHOISJJYMAQX-HNNXBMFYSA-N 1 1 287.403 3.395 20 30 CGEDMO CC(C)Oc1ccc(C[NH2+]Cc2ccc(C#N)cc2F)cn1 ZINC000269401722 378216134 /nfs/dbraw/zinc/21/61/34/378216134.db2.gz GIHLPKKTPDFREG-UHFFFAOYSA-N 1 1 299.349 3.169 20 30 CGEDMO C#CC[N@@H+](CC)CCCC(=O)Nc1c(C)cc(C)cc1C ZINC000268937485 378158034 /nfs/dbraw/zinc/15/80/34/378158034.db2.gz HUJODYCSAIVHNC-UHFFFAOYSA-N 1 1 286.419 3.286 20 30 CGEDMO C=CCCC[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000579411353 378158765 /nfs/dbraw/zinc/15/87/65/378158765.db2.gz MRHVQDAQOVYERW-INIZCTEOSA-N 1 1 256.393 3.090 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCOC2(CCCC2)C1 ZINC000268967067 378163695 /nfs/dbraw/zinc/16/36/95/378163695.db2.gz HGMYVHMYGZJKQP-CQSZACIVSA-N 1 1 270.376 3.264 20 30 CGEDMO N#CC1(C[NH2+][C@H](c2cccs2)C2(CO)CCC2)CCC1 ZINC000580397931 378247931 /nfs/dbraw/zinc/24/79/31/378247931.db2.gz PAGUWBJRBDIIGM-CQSZACIVSA-N 1 1 290.432 3.235 20 30 CGEDMO Cc1cc(C)cc(C[N@@H+](C)Cc2ccc(C#N)o2)c1 ZINC000580513892 378249152 /nfs/dbraw/zinc/24/91/52/378249152.db2.gz PMLXVFHYEMJPFY-UHFFFAOYSA-N 1 1 254.333 3.400 20 30 CGEDMO CC[C@@H]([NH2+][C@@H](C)c1ccon1)c1ccc(C#N)cc1 ZINC000583480021 378326155 /nfs/dbraw/zinc/32/61/55/378326155.db2.gz XWFHYJPQNDBOSL-SMDDNHRTSA-N 1 1 255.321 3.348 20 30 CGEDMO C=CCC[N@@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000270333449 378335582 /nfs/dbraw/zinc/33/55/82/378335582.db2.gz FCRAZWUOPPARQG-AWEZNQCLSA-N 1 1 283.318 3.237 20 30 CGEDMO C=CCC[N@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000270333449 378335587 /nfs/dbraw/zinc/33/55/87/378335587.db2.gz FCRAZWUOPPARQG-AWEZNQCLSA-N 1 1 283.318 3.237 20 30 CGEDMO CCc1cnc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)s1 ZINC000618742193 378410582 /nfs/dbraw/zinc/41/05/82/378410582.db2.gz SZHNWTIDMHUDLP-HNNXBMFYSA-N 1 1 283.400 3.354 20 30 CGEDMO CC(C)[N@@H+](C)CCCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271934285 378522378 /nfs/dbraw/zinc/52/23/78/378522378.db2.gz MOJVZYLQBHYFJX-ZDUSSCGKSA-N 1 1 277.387 3.078 20 30 CGEDMO C=CCOCCC[N@@H+]1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000348029198 378757820 /nfs/dbraw/zinc/75/78/20/378757820.db2.gz HYNYHTLRXXBFJE-RHSMWYFYSA-N 1 1 293.382 3.180 20 30 CGEDMO C=CCOCCC[N@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000348044066 378764638 /nfs/dbraw/zinc/76/46/38/378764638.db2.gz YPVJWCQRHDOATF-XOBRGWDASA-N 1 1 295.448 3.010 20 30 CGEDMO C[C@H]([NH2+][C@H](CCO)c1ccco1)c1ccc(C#N)c(F)c1 ZINC000274510735 378844312 /nfs/dbraw/zinc/84/43/12/378844312.db2.gz WQMHOTDLVGQMPF-XHDPSFHLSA-N 1 1 288.322 3.065 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cn(C)nc1C(F)F ZINC000274518477 378845548 /nfs/dbraw/zinc/84/55/48/378845548.db2.gz XJGPZXRMIBQXCV-UHFFFAOYSA-N 1 1 295.333 3.181 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)cc1C#N ZINC000348221956 378845608 /nfs/dbraw/zinc/84/56/08/378845608.db2.gz BZNXSZNTHQFYBH-GWCFXTLKSA-N 1 1 298.308 3.340 20 30 CGEDMO Cn1cc(C[N@H+]2CC[C@H](c3ccccc3F)C2)cc1C#N ZINC000276764254 378994529 /nfs/dbraw/zinc/99/45/29/378994529.db2.gz NISWSZXUMXVPQE-AWEZNQCLSA-N 1 1 283.350 3.025 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000276824022 379003069 /nfs/dbraw/zinc/00/30/69/379003069.db2.gz AADLOAFJHZNPFV-UHFFFAOYSA-N 1 1 264.325 3.001 20 30 CGEDMO CC[C@H](C)C[N@@H+](CC)Cc1ccc(C#N)cc1OC ZINC000347254796 218171224 /nfs/dbraw/zinc/17/12/24/218171224.db2.gz JQBOBRZPPNNATJ-ZDUSSCGKSA-N 1 1 260.381 3.435 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](Cc3ccncc3)C2)s1 ZINC000370718422 379059849 /nfs/dbraw/zinc/05/98/49/379059849.db2.gz CHFTZGFBDZKRJJ-CQSZACIVSA-N 1 1 283.400 3.079 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000373262219 379250483 /nfs/dbraw/zinc/25/04/83/379250483.db2.gz UULPDWNMBVYFMS-HNNXBMFYSA-N 1 1 261.413 3.346 20 30 CGEDMO FC(F)(F)C[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000278942453 194221745 /nfs/dbraw/zinc/22/17/45/194221745.db2.gz YEAAWOOTIVSITM-CQSZACIVSA-N 1 1 267.294 3.312 20 30 CGEDMO C=CCCCCC[N@@H+](C)Cc1nc(CC2CC2)no1 ZINC000639493985 379431174 /nfs/dbraw/zinc/43/11/74/379431174.db2.gz DCABQZTVBUJCHQ-UHFFFAOYSA-N 1 1 263.385 3.200 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1nc(CC2CC2)no1 ZINC000639493985 379431182 /nfs/dbraw/zinc/43/11/82/379431182.db2.gz DCABQZTVBUJCHQ-UHFFFAOYSA-N 1 1 263.385 3.200 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3ccco3)CC2)cc1 ZINC000374286298 379408021 /nfs/dbraw/zinc/40/80/21/379408021.db2.gz XHDUGEQPLNPIBU-UHFFFAOYSA-N 1 1 264.328 3.441 20 30 CGEDMO CC(C)(C#N)CCC[N@@H+](CCC1CCCCC1)CC(N)=O ZINC000350093032 379504146 /nfs/dbraw/zinc/50/41/46/379504146.db2.gz VQRBPAWUKMKGTI-UHFFFAOYSA-N 1 1 293.455 3.074 20 30 CGEDMO C=CC[C@H]1CC[N@@H+](Cc2cccc3c2CCOC3)C1 ZINC000639889610 379629807 /nfs/dbraw/zinc/62/98/07/379629807.db2.gz GYKLGVDSZCNMCS-AWEZNQCLSA-N 1 1 257.377 3.157 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C(C)C ZINC000351632192 379733672 /nfs/dbraw/zinc/73/36/72/379733672.db2.gz ITBNALUEOQNBIL-MRXNPFEDSA-N 1 1 265.372 3.363 20 30 CGEDMO C=C(CC)C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000398044433 379927769 /nfs/dbraw/zinc/92/77/69/379927769.db2.gz UYUYGZSZAXEMCI-AEFFLSMTSA-N 1 1 272.436 3.453 20 30 CGEDMO CCCC[C@@H](C)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000388421682 379887772 /nfs/dbraw/zinc/88/77/72/379887772.db2.gz OLTYYYJOXOESFK-CQSZACIVSA-N 1 1 260.381 3.448 20 30 CGEDMO C=CCCC[C@@H](C)n1cc(C[NH+]2CCCCC2)nn1 ZINC000641235592 379970459 /nfs/dbraw/zinc/97/04/59/379970459.db2.gz UTYKTVOIXURVEO-CQSZACIVSA-N 1 1 262.401 3.181 20 30 CGEDMO N#CCc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 ZINC000399050259 379934941 /nfs/dbraw/zinc/93/49/41/379934941.db2.gz UYGTZZSESVPCLB-QRVBRYPASA-N 1 1 298.430 3.268 20 30 CGEDMO COc1cc(C[N@H+]2C[C@H](C)[C@@H](C)[C@H]2C)ccc1C#N ZINC000399660024 379942898 /nfs/dbraw/zinc/94/28/98/379942898.db2.gz KZNGYCPBTIACNC-YNEHKIRRSA-N 1 1 258.365 3.043 20 30 CGEDMO CC[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccccc1 ZINC000352831886 379989994 /nfs/dbraw/zinc/98/99/94/379989994.db2.gz DEAASXLURFUDSD-ZDUSSCGKSA-N 1 1 257.362 3.256 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](COC(F)F)C1 ZINC000353023947 380078972 /nfs/dbraw/zinc/07/89/72/380078972.db2.gz GMTMITCEHXAWNQ-AAEUAGOBSA-N 1 1 280.318 3.180 20 30 CGEDMO CC(C)COCC[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000409446884 380038461 /nfs/dbraw/zinc/03/84/61/380038461.db2.gz XGUSTUSYIDQARS-ZWKOTPCHSA-N 1 1 286.419 3.431 20 30 CGEDMO CC(C)COCC[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000409446884 380038464 /nfs/dbraw/zinc/03/84/64/380038464.db2.gz XGUSTUSYIDQARS-ZWKOTPCHSA-N 1 1 286.419 3.431 20 30 CGEDMO C[N@@H+](CCC1(C#N)CCCCC1)[C@H](CO)C(C)(C)C ZINC000411400368 380144658 /nfs/dbraw/zinc/14/46/58/380144658.db2.gz NMOMVAMRIIXARW-CQSZACIVSA-N 1 1 266.429 3.189 20 30 CGEDMO COc1ccc(C[C@H](C)C[N@@H+](C)[C@@H](C)CCC#N)cc1 ZINC000411415489 380144822 /nfs/dbraw/zinc/14/48/22/380144822.db2.gz NODADNPYLQWBNJ-GJZGRUSLSA-N 1 1 274.408 3.498 20 30 CGEDMO CC[C@@]1(C)COCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411433870 380147082 /nfs/dbraw/zinc/14/70/82/380147082.db2.gz YCOVMVQGBAPRER-HNNXBMFYSA-N 1 1 264.413 3.351 20 30 CGEDMO C=CC[NH+](CC=C)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000411165808 380132021 /nfs/dbraw/zinc/13/20/21/380132021.db2.gz QPWUFULHUGWZMO-HOTGVXAUSA-N 1 1 286.419 3.235 20 30 CGEDMO C=CC[NH+](CC=C)[C@@H](C)C(=O)Nc1ccccc1CC ZINC000411164802 380132416 /nfs/dbraw/zinc/13/24/16/380132416.db2.gz MZUBRVCIVXRXRL-AWEZNQCLSA-N 1 1 272.392 3.250 20 30 CGEDMO COc1c(C)cc(C[N@H+](C[C@@H](C)C#N)C2CC2)cc1C ZINC000354034507 380289690 /nfs/dbraw/zinc/28/96/90/380289690.db2.gz RKWQBWJDTCDHFN-LBPRGKRZSA-N 1 1 272.392 3.436 20 30 CGEDMO COc1c(C)cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)cc1C ZINC000354034507 380289696 /nfs/dbraw/zinc/28/96/96/380289696.db2.gz RKWQBWJDTCDHFN-LBPRGKRZSA-N 1 1 272.392 3.436 20 30 CGEDMO COCC#CC[N@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000644785768 380511245 /nfs/dbraw/zinc/51/12/45/380511245.db2.gz WRMVEQNPBAPDDH-OAHLLOKOSA-N 1 1 295.835 3.156 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000355790471 380779783 /nfs/dbraw/zinc/77/97/83/380779783.db2.gz ZFOPLSWPIBHJKN-GJZGRUSLSA-N 1 1 266.429 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC000420927104 380862959 /nfs/dbraw/zinc/86/29/59/380862959.db2.gz NXJTYWMJHKSPEW-OLZOCXBDSA-N 1 1 253.386 3.005 20 30 CGEDMO OCC[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000421015144 380869562 /nfs/dbraw/zinc/86/95/62/380869562.db2.gz LETBTHPSDHBFPC-INIZCTEOSA-N 1 1 291.822 3.176 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)o1 ZINC000421396890 380945569 /nfs/dbraw/zinc/94/55/69/380945569.db2.gz WWJHYFSMIABIBS-JTQLQIEISA-N 1 1 272.270 3.316 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)o1 ZINC000421396890 380945574 /nfs/dbraw/zinc/94/55/74/380945574.db2.gz WWJHYFSMIABIBS-JTQLQIEISA-N 1 1 272.270 3.316 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1nc(-c2ccccc2)oc1C ZINC000279350949 194396469 /nfs/dbraw/zinc/39/64/69/194396469.db2.gz VOPPLDQXPGEPSF-UHFFFAOYSA-N 1 1 268.360 3.494 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1nc(-c2ccccc2)oc1C ZINC000279350949 194396472 /nfs/dbraw/zinc/39/64/72/194396472.db2.gz VOPPLDQXPGEPSF-UHFFFAOYSA-N 1 1 268.360 3.494 20 30 CGEDMO C[C@H]1CCC[C@H](C)[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000357730184 381267417 /nfs/dbraw/zinc/26/74/17/381267417.db2.gz ADQUMLOBFRIDOV-KBPBESRZSA-N 1 1 285.391 3.007 20 30 CGEDMO C=CCN(C(=O)c1ccc(C[N@H+](CC)C2CC2)cc1)C1CC1 ZINC000357946618 381286693 /nfs/dbraw/zinc/28/66/93/381286693.db2.gz WGEGRMWTBGFBOG-UHFFFAOYSA-N 1 1 298.430 3.462 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1[C@H](C)Cc2cc(OC)ccc2[C@H]1C ZINC000359653524 381360147 /nfs/dbraw/zinc/36/01/47/381360147.db2.gz WNADTLAQSJVPNG-FMKPAKJESA-N 1 1 289.419 3.330 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000334839056 207164925 /nfs/dbraw/zinc/16/49/25/207164925.db2.gz FRHFJMXFTOKCCM-KRWDZBQOSA-N 1 1 263.344 3.290 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000361272681 381668679 /nfs/dbraw/zinc/66/86/79/381668679.db2.gz PNWWRMDMEPXXJP-OAHLLOKOSA-N 1 1 288.391 3.424 20 30 CGEDMO Cn1cc(C[N@H+]2CCCC[C@@H]2Cc2ccccc2)cc1C#N ZINC000361554987 381800772 /nfs/dbraw/zinc/80/07/72/381800772.db2.gz WMMSNLOETNHAFB-GOSISDBHSA-N 1 1 293.414 3.494 20 30 CGEDMO Cc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000361555378 381801705 /nfs/dbraw/zinc/80/17/05/381801705.db2.gz AZLZRBIAWGYEFL-SFHVURJKSA-N 1 1 293.414 3.412 20 30 CGEDMO C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000361568968 381810730 /nfs/dbraw/zinc/81/07/30/381810730.db2.gz YWNYLAIUXTWDNN-MAUKXSAKSA-N 1 1 293.414 3.350 20 30 CGEDMO C=CC[N@@H+](CCOC)Cc1ccccc1OC(F)(F)F ZINC000361643270 381854566 /nfs/dbraw/zinc/85/45/66/381854566.db2.gz MEUXWFKBJHSYQG-UHFFFAOYSA-N 1 1 289.297 3.220 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccccc1OC(F)(F)F ZINC000361643270 381854569 /nfs/dbraw/zinc/85/45/69/381854569.db2.gz MEUXWFKBJHSYQG-UHFFFAOYSA-N 1 1 289.297 3.220 20 30 CGEDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2cc(C#N)ccc2F)C1(C)C ZINC000362439801 381991711 /nfs/dbraw/zinc/99/17/11/381991711.db2.gz PFINAUFEIDNQBB-WBVHZDCISA-N 1 1 290.382 3.333 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000363592006 382236717 /nfs/dbraw/zinc/23/67/17/382236717.db2.gz JQIDLQNJWXXNHB-KRWDZBQOSA-N 1 1 286.419 3.076 20 30 CGEDMO N#CCCC[N@@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000366338440 382305845 /nfs/dbraw/zinc/30/58/45/382305845.db2.gz FDXOVKIDAJGLSA-HNNXBMFYSA-N 1 1 276.355 3.110 20 30 CGEDMO C=CCCCCC[N@@H+]1CCCC[C@H]1CCS(C)(=O)=O ZINC000366447290 382308645 /nfs/dbraw/zinc/30/86/45/382308645.db2.gz ZVKXGBOQJVDFHQ-HNNXBMFYSA-N 1 1 287.469 3.022 20 30 CGEDMO C[C@H]1[C@H](N2CCCC2)CC[N@@H+]1CCCCC(C)(C)C#N ZINC000367889643 382359854 /nfs/dbraw/zinc/35/98/54/382359854.db2.gz DIIFEZNFSZYAAN-JKSUJKDBSA-N 1 1 277.456 3.265 20 30 CGEDMO C[C@H]1[C@H](N2CCCC2)CC[N@H+]1CCCCC(C)(C)C#N ZINC000367889643 382359855 /nfs/dbraw/zinc/35/98/55/382359855.db2.gz DIIFEZNFSZYAAN-JKSUJKDBSA-N 1 1 277.456 3.265 20 30 CGEDMO C#CC[N@@H+](CCC(=O)C(C)(C)C)Cc1ccc(F)cc1 ZINC000741157372 572484331 /nfs/dbraw/zinc/48/43/31/572484331.db2.gz NVESOPGSLKFVJW-UHFFFAOYSA-N 1 1 275.367 3.266 20 30 CGEDMO C#CC[N@H+](CCC(=O)C(C)(C)C)Cc1ccc(F)cc1 ZINC000741157372 572484332 /nfs/dbraw/zinc/48/43/32/572484332.db2.gz NVESOPGSLKFVJW-UHFFFAOYSA-N 1 1 275.367 3.266 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000289427902 197342517 /nfs/dbraw/zinc/34/25/17/197342517.db2.gz CNZORODRISTJDR-IRXDYDNUSA-N 1 1 282.387 3.092 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000289427902 197342516 /nfs/dbraw/zinc/34/25/16/197342516.db2.gz CNZORODRISTJDR-IRXDYDNUSA-N 1 1 282.387 3.092 20 30 CGEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2)C1 ZINC000281167119 195132251 /nfs/dbraw/zinc/13/22/51/195132251.db2.gz GQWFZAWRDWXOCG-OAOYMFHYSA-N 1 1 298.430 3.320 20 30 CGEDMO C[C@@H]([NH2+][C@@H](c1nccn1C)C1CC1)c1ccc(C#N)cc1 ZINC000353875007 220381959 /nfs/dbraw/zinc/38/19/59/220381959.db2.gz YTKWNGCKRPAPMU-MLGOLLRUSA-N 1 1 280.375 3.094 20 30 CGEDMO Cc1cc(NC(=O)[C@@H]2CCC(=O)[C@@H](C)C2)cn2cc[nH+]c12 ZINC000329371960 542446145 /nfs/dbraw/zinc/44/61/45/542446145.db2.gz JEEIJFOSFLKJNB-CMPLNLGQSA-N 1 1 285.347 3.236 20 30 CGEDMO COc1ccc([C@H]([NH2+]Cc2nc(C#N)cs2)C2CC2)cc1 ZINC000352835140 533199289 /nfs/dbraw/zinc/19/92/89/533199289.db2.gz NTYYWUBTYRSSNH-MRXNPFEDSA-N 1 1 299.399 3.264 20 30 CGEDMO COc1ccc(C[N@@H+](C)C2CCC2)cc1OCCCC#N ZINC000093475926 392237910 /nfs/dbraw/zinc/23/79/10/392237910.db2.gz HAUPHLQCGRZLAC-UHFFFAOYSA-N 1 1 288.391 3.362 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccccc1OCCOC ZINC000093533645 392238838 /nfs/dbraw/zinc/23/88/38/392238838.db2.gz HDEGMVXGCBLJPE-UHFFFAOYSA-N 1 1 263.381 3.110 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)CC1(COC)CCC1 ZINC000361356455 392280390 /nfs/dbraw/zinc/28/03/90/392280390.db2.gz RHQDPUZJHDVXLW-UHFFFAOYSA-N 1 1 263.381 3.127 20 30 CGEDMO CO[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000282225935 392285714 /nfs/dbraw/zinc/28/57/14/392285714.db2.gz FGPJDRVAWXCLHE-CZUORRHYSA-N 1 1 277.795 3.191 20 30 CGEDMO C=CCC[N@H+](C)Cc1cnc(NC(=O)OC(C)(C)C)s1 ZINC000282591279 392294481 /nfs/dbraw/zinc/29/44/81/392294481.db2.gz VPNARUBWYQHGTJ-UHFFFAOYSA-N 1 1 297.424 3.498 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000285994779 392361369 /nfs/dbraw/zinc/36/13/69/392361369.db2.gz ZWRTVYGOJWMQGW-OAHLLOKOSA-N 1 1 292.423 3.162 20 30 CGEDMO C=CC[N@@H+](CCOC1CCC1)Cc1cccc(C#N)c1 ZINC000287330349 392395641 /nfs/dbraw/zinc/39/56/41/392395641.db2.gz OBKLZXRAJTUHLI-UHFFFAOYSA-N 1 1 270.376 3.115 20 30 CGEDMO N#CCCC[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000124954330 392437137 /nfs/dbraw/zinc/43/71/37/392437137.db2.gz XAGLPBDNEXYOTJ-UHFFFAOYSA-N 1 1 297.324 3.131 20 30 CGEDMO C=CCC[C@H](CCC)[NH2+][C@@H](C)c1noc(COCC)n1 ZINC000290258697 392443903 /nfs/dbraw/zinc/44/39/03/392443903.db2.gz UZGCXZMVGVLXGK-STQMWFEESA-N 1 1 281.400 3.392 20 30 CGEDMO Cn1ccnc1C[C@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000119991632 392398686 /nfs/dbraw/zinc/39/86/86/392398686.db2.gz INUQZDDNBUOXER-OAHLLOKOSA-N 1 1 288.439 3.005 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCSC2(CCCCC2)C1 ZINC000150880575 392481499 /nfs/dbraw/zinc/48/14/99/392481499.db2.gz FZHVPVRMDNCEHF-CQSZACIVSA-N 1 1 269.454 3.065 20 30 CGEDMO C=C(Br)C[N@H+]1CC[C@H](c2ccccc2OC)C1 ZINC000151173194 392483043 /nfs/dbraw/zinc/48/30/43/392483043.db2.gz XCSCGDDRDXGMRQ-LBPRGKRZSA-N 1 1 296.208 3.393 20 30 CGEDMO C=C(Br)C[N@@H+]1CC[C@H](c2ccccc2OC)C1 ZINC000151173194 392483050 /nfs/dbraw/zinc/48/30/50/392483050.db2.gz XCSCGDDRDXGMRQ-LBPRGKRZSA-N 1 1 296.208 3.393 20 30 CGEDMO N#CCSCCC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000374308679 392676606 /nfs/dbraw/zinc/67/66/06/392676606.db2.gz GUWVJAHMPMRCCF-UHFFFAOYSA-N 1 1 297.427 3.294 20 30 CGEDMO C[N@@H+](CCCC(C)(C)C#N)Cc1ccc([S@](C)=O)cc1 ZINC000178409358 392679212 /nfs/dbraw/zinc/67/92/12/392679212.db2.gz WFAHVEXIHMFQKC-FQEVSTJZSA-N 1 1 292.448 3.186 20 30 CGEDMO Cc1ccnc(-c2cccc(NC(=O)[C@@H]3CCC[N@@H+]3C)c2)n1 ZINC000329636113 392690100 /nfs/dbraw/zinc/69/01/00/392690100.db2.gz YBWCWEWYESTYKC-HNNXBMFYSA-N 1 1 296.374 3.134 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(Cl)cc1)C[C@H]1CCCC[C@@H]1O ZINC000181460892 392730435 /nfs/dbraw/zinc/73/04/35/392730435.db2.gz ABQNINGDNZDQQP-WBVHZDCISA-N 1 1 291.822 3.174 20 30 CGEDMO C=CC[N@H+](Cc1ccc(N)nc1)CC1CCCCC1 ZINC000647516076 392747949 /nfs/dbraw/zinc/74/79/49/392747949.db2.gz JTNPVASQGAVBRY-UHFFFAOYSA-N 1 1 259.397 3.062 20 30 CGEDMO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(Cl)s1 ZINC000182969903 392751082 /nfs/dbraw/zinc/75/10/82/392751082.db2.gz YFPQINRRZPVUMP-UWVGGRQHSA-N 1 1 267.785 3.496 20 30 CGEDMO C[N@@H+](Cc1cccc2[nH]ccc21)[C@H]1CC[C@@H](C#N)C1 ZINC000334320470 392719026 /nfs/dbraw/zinc/71/90/26/392719026.db2.gz VTQLGFOWTISLOZ-OCCSQVGLSA-N 1 1 253.349 3.292 20 30 CGEDMO C[C@H]1CC[C@@H](C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)O1 ZINC000190460474 392815558 /nfs/dbraw/zinc/81/55/58/392815558.db2.gz BHLKVLWRASRMPA-GUYCJALGSA-N 1 1 270.376 3.090 20 30 CGEDMO C=CC[N@H+](Cc1cc(C#N)n(C)c1)Cc1ccccc1 ZINC000191244039 392826156 /nfs/dbraw/zinc/82/61/56/392826156.db2.gz YVOQPIQTAUXNRV-UHFFFAOYSA-N 1 1 265.360 3.085 20 30 CGEDMO CC1=C[C@H](C)C[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000336519092 392861176 /nfs/dbraw/zinc/86/11/76/392861176.db2.gz NZMVHUUZRRHYAZ-XHDPSFHLSA-N 1 1 269.348 3.033 20 30 CGEDMO CC1=C[C@H](C)C[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000336519092 392861181 /nfs/dbraw/zinc/86/11/81/392861181.db2.gz NZMVHUUZRRHYAZ-XHDPSFHLSA-N 1 1 269.348 3.033 20 30 CGEDMO CC(C)(C)[C@H]1CCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000524756679 392936744 /nfs/dbraw/zinc/93/67/44/392936744.db2.gz GDLVSAHLYLFVOL-MRXNPFEDSA-N 1 1 272.392 3.448 20 30 CGEDMO CSCC[C@H](C)[N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459377851 392941889 /nfs/dbraw/zinc/94/18/89/392941889.db2.gz MTMMTUJCHPZOOB-NSHDSACASA-N 1 1 293.392 3.040 20 30 CGEDMO CSCC[C@H](C)[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459377851 392941895 /nfs/dbraw/zinc/94/18/95/392941895.db2.gz MTMMTUJCHPZOOB-NSHDSACASA-N 1 1 293.392 3.040 20 30 CGEDMO CC1(C[N@H+]2CCCN(c3ccccc3C#N)CC2)CCC1 ZINC000340281560 392968658 /nfs/dbraw/zinc/96/86/58/392968658.db2.gz FRKJCYZZZSAVIZ-UHFFFAOYSA-N 1 1 283.419 3.261 20 30 CGEDMO C[C@H](CO)[N@@H+](CCC1(C#N)CCCCC1)CC1CCC1 ZINC000411669864 392984638 /nfs/dbraw/zinc/98/46/38/392984638.db2.gz QXNRILQCKDLRGQ-OAHLLOKOSA-N 1 1 278.440 3.333 20 30 CGEDMO CCC[N@H+](CCN1CCCCCC1)[C@@H](C)CCC#N ZINC000411736132 392986894 /nfs/dbraw/zinc/98/68/94/392986894.db2.gz LLZLGYMNHWCLSG-INIZCTEOSA-N 1 1 265.445 3.267 20 30 CGEDMO CCC[N@@H+](CCN1CCCCCC1)[C@@H](C)CCC#N ZINC000411736132 392986896 /nfs/dbraw/zinc/98/68/96/392986896.db2.gz LLZLGYMNHWCLSG-INIZCTEOSA-N 1 1 265.445 3.267 20 30 CGEDMO N#CC1(CC[N@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)CCCCC1 ZINC000411780467 392988590 /nfs/dbraw/zinc/98/85/90/392988590.db2.gz ABWKMGYWPMIIQB-IXDOHACOSA-N 1 1 290.451 3.333 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000411790109 392988876 /nfs/dbraw/zinc/98/88/76/392988876.db2.gz GIRKTSBNWHLPRK-HIFRSBDPSA-N 1 1 287.363 3.466 20 30 CGEDMO COC[C@]1(C)CC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411770990 392988907 /nfs/dbraw/zinc/98/89/07/392988907.db2.gz DXCKJPJLVZGXPZ-OAHLLOKOSA-N 1 1 264.413 3.209 20 30 CGEDMO C[C@@H]1CN(CCC2(C#N)CCCCC2)CC[N@H+](C2CC2)C1 ZINC000411773725 392989108 /nfs/dbraw/zinc/98/91/08/392989108.db2.gz UBENXMADVVBEGX-MRXNPFEDSA-N 1 1 289.467 3.267 20 30 CGEDMO C[C@H]1CN(C2CC2)CC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000411773725 392989112 /nfs/dbraw/zinc/98/91/12/392989112.db2.gz UBENXMADVVBEGX-MRXNPFEDSA-N 1 1 289.467 3.267 20 30 CGEDMO C[C@H]1CN(C2CC2)CC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411773725 392989116 /nfs/dbraw/zinc/98/91/16/392989116.db2.gz UBENXMADVVBEGX-MRXNPFEDSA-N 1 1 289.467 3.267 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000411989969 392993133 /nfs/dbraw/zinc/99/31/33/392993133.db2.gz SBZIARXYXOVTID-GOSISDBHSA-N 1 1 298.386 3.036 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412079984 392995263 /nfs/dbraw/zinc/99/52/63/392995263.db2.gz VMOZRMXTOMCVOX-AWEZNQCLSA-N 1 1 267.413 3.396 20 30 CGEDMO C=CCOc1ccc(C[NH2+][C@H](CCO)c2ccco2)cc1 ZINC000346212453 393080717 /nfs/dbraw/zinc/08/07/17/393080717.db2.gz HZDRGCOLJPYNGZ-MRXNPFEDSA-N 1 1 287.359 3.058 20 30 CGEDMO C[N@@H+](CCN[C@H]1CCc2ccc(C#N)cc21)C1CCCC1 ZINC000353425393 393221326 /nfs/dbraw/zinc/22/13/26/393221326.db2.gz JKVBTZZSLUIDSY-SFHVURJKSA-N 1 1 283.419 3.010 20 30 CGEDMO CN(CC[NH2+][C@H]1CCc2ccc(C#N)cc21)C1CCCC1 ZINC000353425393 393221330 /nfs/dbraw/zinc/22/13/30/393221330.db2.gz JKVBTZZSLUIDSY-SFHVURJKSA-N 1 1 283.419 3.010 20 30 CGEDMO C=CCOc1ccc(CN[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000353935686 393235151 /nfs/dbraw/zinc/23/51/51/393235151.db2.gz XOQDWQNTYDVFEZ-YJBOKZPZSA-N 1 1 288.435 3.071 20 30 CGEDMO C=CCOc1ccc(CN[C@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000353935686 393235157 /nfs/dbraw/zinc/23/51/57/393235157.db2.gz XOQDWQNTYDVFEZ-YJBOKZPZSA-N 1 1 288.435 3.071 20 30 CGEDMO C=CCOc1ccc(C[NH2+][C@H]2CCN(CC)C[C@@H]2C)cc1 ZINC000353935686 393235163 /nfs/dbraw/zinc/23/51/63/393235163.db2.gz XOQDWQNTYDVFEZ-YJBOKZPZSA-N 1 1 288.435 3.071 20 30 CGEDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000470948094 393267326 /nfs/dbraw/zinc/26/73/26/393267326.db2.gz KHGVURNUXVIYBX-FZMZJTMJSA-N 1 1 298.308 3.210 20 30 CGEDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CCOc1cccc(C#N)c1 ZINC000470953808 393269311 /nfs/dbraw/zinc/26/93/11/393269311.db2.gz SNUNMYVMMRSEQU-RISCZKNCSA-N 1 1 298.308 3.210 20 30 CGEDMO CCOCC[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356440159 393445498 /nfs/dbraw/zinc/44/54/98/393445498.db2.gz PFGZOCZVDUMRKZ-UHFFFAOYSA-N 1 1 286.297 3.045 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C#N)cc1F)[C@H]1CCC[C@H]1C ZINC000488100817 393457711 /nfs/dbraw/zinc/45/77/11/393457711.db2.gz ZGESRDDXRGGHJX-DYVFJYSZSA-N 1 1 290.382 3.334 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCC[C@@H]1C ZINC000488100828 393457840 /nfs/dbraw/zinc/45/78/40/393457840.db2.gz ZGESRDDXRGGHJX-SUMWQHHRSA-N 1 1 290.382 3.334 20 30 CGEDMO C=C(CC)C[N@H+]1CCc2ccc(C(C)=O)cc2CC1 ZINC000358868004 393528230 /nfs/dbraw/zinc/52/82/30/393528230.db2.gz FSVZNAZCSPICPB-UHFFFAOYSA-N 1 1 257.377 3.256 20 30 CGEDMO CN(C(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CCCCC#N)C1 ZINC000491098526 393665511 /nfs/dbraw/zinc/66/55/11/393665511.db2.gz PVUVRMPOVBYXQD-AWEZNQCLSA-N 1 1 295.427 3.012 20 30 CGEDMO Cc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)ccc1C#N ZINC000449453918 393882308 /nfs/dbraw/zinc/88/23/08/393882308.db2.gz XZJOYIRUAVTRRZ-GUDVDZBRSA-N 1 1 298.430 3.382 20 30 CGEDMO CC(C)[C@@H]1[C@@H](C(C)C)C[N@@H+]1Cc1nc(C#N)cs1 ZINC000449557027 393901618 /nfs/dbraw/zinc/90/16/18/393901618.db2.gz UCWHGGZPTXYYIE-TZMCWYRMSA-N 1 1 263.410 3.127 20 30 CGEDMO CC(C)[C@@H]1[C@@H](C(C)C)C[N@H+]1Cc1nc(C#N)cs1 ZINC000449557027 393901620 /nfs/dbraw/zinc/90/16/20/393901620.db2.gz UCWHGGZPTXYYIE-TZMCWYRMSA-N 1 1 263.410 3.127 20 30 CGEDMO CO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)c(C)c2)C12CCC2 ZINC000449634385 393929662 /nfs/dbraw/zinc/92/96/62/393929662.db2.gz RCHZXOIHOXHYKK-IAGOWNOFSA-N 1 1 284.403 3.256 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2cn(-c3ccncc3)nc2C)C1 ZINC000668493357 543020517 /nfs/dbraw/zinc/02/05/17/543020517.db2.gz NGIYPVUMXJICSL-INIZCTEOSA-N 1 1 296.418 3.364 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cn(-c3ccncc3)nc2C)C1 ZINC000668493357 543020518 /nfs/dbraw/zinc/02/05/18/543020518.db2.gz NGIYPVUMXJICSL-INIZCTEOSA-N 1 1 296.418 3.364 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2[nH]nc3ccccc32)C1 ZINC000668492462 543020571 /nfs/dbraw/zinc/02/05/71/543020571.db2.gz BLYCJAYGXAFSDQ-ZDUSSCGKSA-N 1 1 255.365 3.351 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2n[nH]c3ccccc32)C1 ZINC000668492462 543020573 /nfs/dbraw/zinc/02/05/73/543020573.db2.gz BLYCJAYGXAFSDQ-ZDUSSCGKSA-N 1 1 255.365 3.351 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2n[nH]c3ccccc32)C1 ZINC000668492462 543020576 /nfs/dbraw/zinc/02/05/76/543020576.db2.gz BLYCJAYGXAFSDQ-ZDUSSCGKSA-N 1 1 255.365 3.351 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)cc1OC ZINC000668676029 543043048 /nfs/dbraw/zinc/04/30/48/543043048.db2.gz LLLMISQXYCKMBD-HUUCEWRRSA-N 1 1 273.376 3.102 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CCC[C@H](Oc2ccccc2OC)C1 ZINC000671732553 543182984 /nfs/dbraw/zinc/18/29/84/543182984.db2.gz OZZUYEDJTATAMQ-HOTGVXAUSA-N 1 1 287.403 3.340 20 30 CGEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1C[C@H]1C ZINC000488303450 397707236 /nfs/dbraw/zinc/70/72/36/397707236.db2.gz UUXDQXATBMWOPR-OCCSQVGLSA-N 1 1 260.337 3.239 20 30 CGEDMO FC1(F)C[C@@]12CC[N@@H+](CC#Cc1cccc(Cl)c1)C2 ZINC000649906847 397751480 /nfs/dbraw/zinc/75/14/80/397751480.db2.gz DJOFEKBJQDPOKQ-CQSZACIVSA-N 1 1 281.733 3.423 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1Cc2ccccc2N(C)C[C@@H]1CC ZINC000675502493 543344901 /nfs/dbraw/zinc/34/49/01/543344901.db2.gz RUJYYXOKESDKAG-DLBZAZTESA-N 1 1 288.435 3.044 20 30 CGEDMO Clc1ccccc1C#CC[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000676714510 543412281 /nfs/dbraw/zinc/41/22/81/543412281.db2.gz LDJYXOZVDQHGOU-INIZCTEOSA-N 1 1 299.805 3.225 20 30 CGEDMO Clc1ccccc1C#CC[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000676714510 543412283 /nfs/dbraw/zinc/41/22/83/543412283.db2.gz LDJYXOZVDQHGOU-INIZCTEOSA-N 1 1 299.805 3.225 20 30 CGEDMO CC[N@@H+](CC#Cc1cccc(Cl)c1)C[C@H]1CCOC1 ZINC000676557282 543404401 /nfs/dbraw/zinc/40/44/01/543404401.db2.gz PQLSCZLWKANEJL-OAHLLOKOSA-N 1 1 277.795 3.050 20 30 CGEDMO CC[N@@H+](CC#Cc1cccc(Cl)c1)C[C@@H]1CCOC1 ZINC000676557281 543404821 /nfs/dbraw/zinc/40/48/21/543404821.db2.gz PQLSCZLWKANEJL-HNNXBMFYSA-N 1 1 277.795 3.050 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000677047481 543427832 /nfs/dbraw/zinc/42/78/32/543427832.db2.gz BYSXPYOBXCLRGU-GOEBONIOSA-N 1 1 277.433 3.038 20 30 CGEDMO CC[C@H]1C[N@@H+](CC#CCOC)CC[C@H]1c1ccccc1 ZINC000677133035 543435854 /nfs/dbraw/zinc/43/58/54/543435854.db2.gz DUBYOPKPXQPKNZ-FUHWJXTLSA-N 1 1 271.404 3.152 20 30 CGEDMO CCC#C[C@@H](C)[N@@H+](C)Cc1cc(OC)c(OC)cc1C ZINC000677132563 543435949 /nfs/dbraw/zinc/43/59/49/543435949.db2.gz FOQLBRGBQRQHLJ-CQSZACIVSA-N 1 1 275.392 3.246 20 30 CGEDMO COCC#CC[N@@H+](C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000677817788 543467126 /nfs/dbraw/zinc/46/71/26/543467126.db2.gz BNIPTOZGVAHZHJ-GFCCVEGCSA-N 1 1 285.309 3.348 20 30 CGEDMO CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC#CCOC ZINC000677818483 543467389 /nfs/dbraw/zinc/46/73/89/543467389.db2.gz PPCQNKOGTBMRFS-MSOLQXFVSA-N 1 1 271.404 3.294 20 30 CGEDMO COCC#CC[N@@H+]1CC=C(c2c(C)[nH]c3ccccc32)CC1 ZINC000677818977 543468097 /nfs/dbraw/zinc/46/80/97/543468097.db2.gz NAXZABLZOSJASS-UHFFFAOYSA-N 1 1 294.398 3.215 20 30 CGEDMO C=CCOc1cccc(C[N@H+](CCO)CC(C)(C)C)c1 ZINC000678240810 543500009 /nfs/dbraw/zinc/50/00/09/543500009.db2.gz MLPQVTULCFJNNE-UHFFFAOYSA-N 1 1 277.408 3.092 20 30 CGEDMO C[C@H]1CCCCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000070409534 165059266 /nfs/dbraw/zinc/05/92/66/165059266.db2.gz HIHLSAIAWLLLFU-AWEZNQCLSA-N 1 1 285.391 3.151 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000087770947 165190855 /nfs/dbraw/zinc/19/08/55/165190855.db2.gz OJMBCRFSGBBAKP-BBRMVZONSA-N 1 1 258.340 3.462 20 30 CGEDMO CC(C)[C@H]1CCC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000088836942 165194683 /nfs/dbraw/zinc/19/46/83/165194683.db2.gz JMRXFBBSZMZMJC-MRXNPFEDSA-N 1 1 285.391 3.007 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+](C)[C@H](C)c1ccccn1 ZINC000091703322 165269144 /nfs/dbraw/zinc/26/91/44/165269144.db2.gz IGBCWJFXKIVJQT-CYBMUJFWSA-N 1 1 281.359 3.155 20 30 CGEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000091703322 165269146 /nfs/dbraw/zinc/26/91/46/165269146.db2.gz IGBCWJFXKIVJQT-CYBMUJFWSA-N 1 1 281.359 3.155 20 30 CGEDMO COc1ccc([C@H]2CC[N@@H+](Cc3ccc(C#N)o3)C2)cc1 ZINC000092783307 165312171 /nfs/dbraw/zinc/31/21/71/165312171.db2.gz XYEXOWISTNEIAU-AWEZNQCLSA-N 1 1 282.343 3.149 20 30 CGEDMO C[C@H]1C[C@@H](Nc2ccc(C(F)(F)F)cc2C#N)CC[N@H+]1C ZINC000127657991 287293012 /nfs/dbraw/zinc/29/30/12/287293012.db2.gz AAHSWOPVNUYDSM-GWCFXTLKSA-N 1 1 297.324 3.472 20 30 CGEDMO C=CCc1cc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)cc(OC)c1O ZINC000679361435 543628525 /nfs/dbraw/zinc/62/85/25/543628525.db2.gz YKNTWQSBLGOGAF-IUODEOHRSA-N 1 1 293.382 3.309 20 30 CGEDMO C=CCc1cc(C[N@H+]2CC[C@@H](C)[C@H](F)C2)cc(OC)c1O ZINC000679361435 543628528 /nfs/dbraw/zinc/62/85/28/543628528.db2.gz YKNTWQSBLGOGAF-IUODEOHRSA-N 1 1 293.382 3.309 20 30 CGEDMO C=C(C)[C@H](CO)[NH2+][C@@H](CC)c1nc(C(F)(F)F)cs1 ZINC000680401819 543708314 /nfs/dbraw/zinc/70/83/14/543708314.db2.gz OBRBVFPNJQGGIQ-IUCAKERBSA-N 1 1 294.342 3.140 20 30 CGEDMO C=CCCCCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000655247047 419032748 /nfs/dbraw/zinc/03/27/48/419032748.db2.gz YYRSPUFLWJOSBM-MRXNPFEDSA-N 1 1 274.408 3.152 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCC[C@H](OC3CCC3)C2)cc1 ZINC000653815282 419089940 /nfs/dbraw/zinc/08/99/40/419089940.db2.gz QFIUSNABMIFGHR-SFHVURJKSA-N 1 1 287.378 3.211 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@H](C)c2cc(C)cc(C)c2)nn1 ZINC000653604755 419057605 /nfs/dbraw/zinc/05/76/05/419057605.db2.gz WQGIAOLBBSNEMC-OAHLLOKOSA-N 1 1 284.407 3.322 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@H](c2ccccc2)C2CC2)nn1 ZINC000653608173 419057846 /nfs/dbraw/zinc/05/78/46/419057846.db2.gz HMDVQXMKRZOHSN-QGZVFWFLSA-N 1 1 282.391 3.095 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@H](C)c2ccc(CC)cc2)nn1 ZINC000653597466 419058055 /nfs/dbraw/zinc/05/80/55/419058055.db2.gz QINGIPGCXPLSDC-CQSZACIVSA-N 1 1 284.407 3.267 20 30 CGEDMO C=CCCn1cc(C[NH2+][C@H](C)c2cccc(Cl)c2)nn1 ZINC000653597626 419058222 /nfs/dbraw/zinc/05/82/22/419058222.db2.gz XMMFAWBARADQGZ-GFCCVEGCSA-N 1 1 290.798 3.358 20 30 CGEDMO C=CCCC[C@@H](C)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660661052 419177198 /nfs/dbraw/zinc/17/71/98/419177198.db2.gz BLWUSBHNJAXHTC-CVEARBPZSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CCCC[C@@H](C)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660661052 419177200 /nfs/dbraw/zinc/17/72/00/419177200.db2.gz BLWUSBHNJAXHTC-CVEARBPZSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CCCC[C@@H](C)[N@@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000660661052 419177202 /nfs/dbraw/zinc/17/72/02/419177202.db2.gz BLWUSBHNJAXHTC-CVEARBPZSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC000660661052 419177204 /nfs/dbraw/zinc/17/72/04/419177204.db2.gz BLWUSBHNJAXHTC-CVEARBPZSA-N 1 1 250.430 3.149 20 30 CGEDMO CC[N@H+]1CCCN(CC#Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000660786693 419196491 /nfs/dbraw/zinc/19/64/91/419196491.db2.gz FBEXXCCEGQBCFL-OAHLLOKOSA-N 1 1 290.838 3.108 20 30 CGEDMO C=CC[N@H+](Cc1nsc2ccccc21)[C@@H](C)COC ZINC000661239382 419243399 /nfs/dbraw/zinc/24/33/99/419243399.db2.gz GAXSTAJOCOVWHC-LBPRGKRZSA-N 1 1 276.405 3.319 20 30 CGEDMO C=CC[N@@H+](Cc1nsc2ccccc21)[C@@H](C)COC ZINC000661239382 419243401 /nfs/dbraw/zinc/24/34/01/419243401.db2.gz GAXSTAJOCOVWHC-LBPRGKRZSA-N 1 1 276.405 3.319 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2nc(N)c3ccccc3n2)C1 ZINC000661381158 419254966 /nfs/dbraw/zinc/25/49/66/419254966.db2.gz WODKCDUMJQAIPM-ZDUSSCGKSA-N 1 1 282.391 3.000 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@H](C(=O)NC2CC2)c2ccccc2)C1 ZINC000661379857 419255268 /nfs/dbraw/zinc/25/52/68/419255268.db2.gz IYLSBGQWLRGNTI-YJBOKZPZSA-N 1 1 298.430 3.294 20 30 CGEDMO C=CC[N@@H+](Cc1csc(-c2cnn(C)c2)n1)C(C)(C)C ZINC000661754692 419295221 /nfs/dbraw/zinc/29/52/21/419295221.db2.gz AVGWYHOPQDSLAM-UHFFFAOYSA-N 1 1 290.436 3.330 20 30 CGEDMO C=CC[N@H+](Cc1csc(-c2cnn(C)c2)n1)C(C)(C)C ZINC000661754692 419295222 /nfs/dbraw/zinc/29/52/22/419295222.db2.gz AVGWYHOPQDSLAM-UHFFFAOYSA-N 1 1 290.436 3.330 20 30 CGEDMO C=CCOc1ccccc1CN[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000657561783 419305204 /nfs/dbraw/zinc/30/52/04/419305204.db2.gz JLRQHEXZKUPYPM-MRXNPFEDSA-N 1 1 288.435 3.214 20 30 CGEDMO C=CCOc1ccccc1C[NH2+][C@@H]1CCN(C(C)(C)C)C1 ZINC000657561783 419305207 /nfs/dbraw/zinc/30/52/07/419305207.db2.gz JLRQHEXZKUPYPM-MRXNPFEDSA-N 1 1 288.435 3.214 20 30 CGEDMO O=C1CCCC12CC[NH+](CC#Cc1ccc(F)cc1)CC2 ZINC000661961071 419315584 /nfs/dbraw/zinc/31/55/84/419315584.db2.gz WKPRWRZLJYWLTF-UHFFFAOYSA-N 1 1 285.362 3.012 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)CCc1ccccc1 ZINC000662089731 419334731 /nfs/dbraw/zinc/33/47/31/419334731.db2.gz DMBXWNGRBZTBGK-KSZLIROESA-N 1 1 271.404 3.163 20 30 CGEDMO C=CC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(CCCOC)CC1 ZINC000657868248 419396441 /nfs/dbraw/zinc/39/64/41/419396441.db2.gz ZJEDYPHWKVDACL-WMZOPIPTSA-N 1 1 294.483 3.212 20 30 CGEDMO C=CC[N@H+](Cc1ccc(Cl)s1)[C@H](CO)C(=C)C ZINC000662284055 419385326 /nfs/dbraw/zinc/38/53/26/419385326.db2.gz GOEQEQGSXVOPKE-GFCCVEGCSA-N 1 1 271.813 3.327 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)[C@H](CO)C(=C)C ZINC000662284055 419385332 /nfs/dbraw/zinc/38/53/32/419385332.db2.gz GOEQEQGSXVOPKE-GFCCVEGCSA-N 1 1 271.813 3.327 20 30 CGEDMO C[N@@H+](CCCCC#N)Cc1ccc(OC(F)F)cc1 ZINC000071016564 260271398 /nfs/dbraw/zinc/27/13/98/260271398.db2.gz HVXQDNVFILBVFC-UHFFFAOYSA-N 1 1 268.307 3.414 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC2(C1)CCOCC2 ZINC000365431810 260296144 /nfs/dbraw/zinc/29/61/44/260296144.db2.gz JSXHLCTUHPSAPI-UHFFFAOYSA-N 1 1 264.413 3.209 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000093533635 260520160 /nfs/dbraw/zinc/52/01/60/260520160.db2.gz DCUKOUSFHNDPCK-UHFFFAOYSA-N 1 1 271.408 3.434 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCO[C@H](C(C)(C)C)C2)c1 ZINC000448357416 261125285 /nfs/dbraw/zinc/12/52/85/261125285.db2.gz YGQXRWRUYQOYTE-KRWDZBQOSA-N 1 1 289.419 3.498 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCO[C@H](C(C)(C)C)C2)c1 ZINC000448357416 261125286 /nfs/dbraw/zinc/12/52/86/261125286.db2.gz YGQXRWRUYQOYTE-KRWDZBQOSA-N 1 1 289.419 3.498 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)CCc1ccc2c(c1)CCO2 ZINC000173784518 261169577 /nfs/dbraw/zinc/16/95/77/261169577.db2.gz MZYOZPVQYPAPJG-UHFFFAOYSA-N 1 1 286.419 3.426 20 30 CGEDMO C[C@@H](CC#N)[N@H+](C)CCC(=O)Nc1cccc2ccccc21 ZINC000161930680 261263593 /nfs/dbraw/zinc/26/35/93/261263593.db2.gz VPDKRARVGPPMDH-AWEZNQCLSA-N 1 1 295.386 3.402 20 30 CGEDMO C[C@@H](CC#N)[N@@H+](C)CCC(=O)Nc1cccc2ccccc21 ZINC000161930680 261263594 /nfs/dbraw/zinc/26/35/94/261263594.db2.gz VPDKRARVGPPMDH-AWEZNQCLSA-N 1 1 295.386 3.402 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000184081576 262007340 /nfs/dbraw/zinc/00/73/40/262007340.db2.gz CDEBOIFVIXJGMD-QGZVFWFLSA-N 1 1 295.386 3.442 20 30 CGEDMO C[C@@H]1CN(Cc2ccccc2)C[C@H](C)C1[NH2+]CCCCC#N ZINC000184752803 262028920 /nfs/dbraw/zinc/02/89/20/262028920.db2.gz AVUSHIGLIDERGV-JJTKIYQPSA-N 1 1 299.462 3.426 20 30 CGEDMO CC[N@@H+](CCC#N)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000497272618 262130084 /nfs/dbraw/zinc/13/00/84/262130084.db2.gz SDSJUTZLECDPKD-CQSZACIVSA-N 1 1 295.427 3.012 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000119945776 262178291 /nfs/dbraw/zinc/17/82/91/262178291.db2.gz RTDYZUMMPMGOJY-KRWDZBQOSA-N 1 1 286.419 3.465 20 30 CGEDMO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccnn1C ZINC000193039177 262214953 /nfs/dbraw/zinc/21/49/53/262214953.db2.gz FBNRBRCBXKAQDH-ZFWWWQNUSA-N 1 1 268.364 3.116 20 30 CGEDMO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ncc(-c3ccccc3)cn2)C1 ZINC000193289545 262219666 /nfs/dbraw/zinc/21/96/66/262219666.db2.gz AXXUUQYMPLAFFP-RHSMWYFYSA-N 1 1 292.386 3.316 20 30 CGEDMO COc1ccc2oc(C[N@H+](C)CC(C)(C)C#N)cc2c1 ZINC000354019333 262276871 /nfs/dbraw/zinc/27/68/71/262276871.db2.gz XDYCMJZNUVDFGW-UHFFFAOYSA-N 1 1 272.348 3.423 20 30 CGEDMO COc1ccc2oc(C[N@@H+](C)CC(C)(C)C#N)cc2c1 ZINC000354019333 262276873 /nfs/dbraw/zinc/27/68/73/262276873.db2.gz XDYCMJZNUVDFGW-UHFFFAOYSA-N 1 1 272.348 3.423 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)C[C@@H](O)CC(F)(F)F ZINC000188592481 262322295 /nfs/dbraw/zinc/32/22/95/262322295.db2.gz ZCZOKJZFEFTHCK-JTQLQIEISA-N 1 1 279.327 3.049 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000365626570 262376162 /nfs/dbraw/zinc/37/61/62/262376162.db2.gz XQPWKVDCUABTKW-GJZGRUSLSA-N 1 1 276.424 3.350 20 30 CGEDMO COc1ccc2c(c1OC)CC[N@H+](CCC(C)(C)C#N)C2 ZINC000336839353 262399529 /nfs/dbraw/zinc/39/95/29/262399529.db2.gz JXOCTYQUEKPQJI-UHFFFAOYSA-N 1 1 288.391 3.002 20 30 CGEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)c2cc3ccccc3o2)C1=O ZINC000337136413 262425451 /nfs/dbraw/zinc/42/54/51/262425451.db2.gz ONEZXZDEYQAKPU-ZFWWWQNUSA-N 1 1 298.386 3.213 20 30 CGEDMO Cn1cnc2cc(C[N@H+](CCC#N)CC(C)(C)C)ccc21 ZINC000271713246 262998423 /nfs/dbraw/zinc/99/84/23/262998423.db2.gz HROIDOVHXQZVRU-UHFFFAOYSA-N 1 1 284.407 3.335 20 30 CGEDMO Cn1cnc2cc(C[N@@H+](CCC#N)CC(C)(C)C)ccc21 ZINC000271713246 262998424 /nfs/dbraw/zinc/99/84/24/262998424.db2.gz HROIDOVHXQZVRU-UHFFFAOYSA-N 1 1 284.407 3.335 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000272058797 263001659 /nfs/dbraw/zinc/00/16/59/263001659.db2.gz WFEWBCWPYRWYGQ-KBPBESRZSA-N 1 1 276.380 3.107 20 30 CGEDMO Cc1cccc([C@H]2CC[N@@H+](C[C@H](C#N)CCC#N)C2)c1 ZINC000273058595 263011717 /nfs/dbraw/zinc/01/17/17/263011717.db2.gz HHSNZBOFWQWITL-RDJZCZTQSA-N 1 1 267.376 3.228 20 30 CGEDMO C[C@@H]1COc2ccccc2C[N@H+]1CCC(C)(C)C#N ZINC000273050921 263011724 /nfs/dbraw/zinc/01/17/24/263011724.db2.gz YLLXEPWMELNGPA-CYBMUJFWSA-N 1 1 258.365 3.209 20 30 CGEDMO C[C@H]1C[C@@H](C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC[N@H+]1C ZINC000279114199 263053014 /nfs/dbraw/zinc/05/30/14/263053014.db2.gz CJCHOYUSLGJJQY-KBPBESRZSA-N 1 1 299.418 3.157 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000366594615 263067979 /nfs/dbraw/zinc/06/79/79/263067979.db2.gz SQVMTSATKSNIOE-JKSUJKDBSA-N 1 1 267.413 3.003 20 30 CGEDMO C[N@@H+](CCCC#N)Cc1ccc(OCC(F)(F)F)cc1 ZINC000285195909 263091137 /nfs/dbraw/zinc/09/11/37/263091137.db2.gz CRWSHSFYVJRLGS-UHFFFAOYSA-N 1 1 286.297 3.363 20 30 CGEDMO CN(CCC[N@@H+](C)CC(C)(C)CCC#N)Cc1ccco1 ZINC000289830986 263112294 /nfs/dbraw/zinc/11/22/94/263112294.db2.gz OTDIUJSMOBKNDN-UHFFFAOYSA-N 1 1 291.439 3.363 20 30 CGEDMO C=CCN(CCc1ccccc1)CC[C@@H]1CCC[N@@H+]1C ZINC000340372144 263120446 /nfs/dbraw/zinc/12/04/46/263120446.db2.gz SUTDXCSYOOIMKF-SFHVURJKSA-N 1 1 272.436 3.201 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](COCc3ccccc3)C2)C1 ZINC000292718338 263134294 /nfs/dbraw/zinc/13/42/94/263134294.db2.gz FQTOWAGACGWBAO-FGTMMUONSA-N 1 1 284.403 3.217 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](COCc3ccccc3)C2)C1 ZINC000292718341 263134361 /nfs/dbraw/zinc/13/43/61/263134361.db2.gz FQTOWAGACGWBAO-KURKYZTESA-N 1 1 284.403 3.217 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](Cc3ccccc3)C2)C1 ZINC000292859772 263135799 /nfs/dbraw/zinc/13/57/99/263135799.db2.gz RIVCCZFCYUHGRN-BRWVUGGUSA-N 1 1 254.377 3.243 20 30 CGEDMO CCc1ccc([C@@H]2CC[N@@H+](C[C@H](C#N)CCC#N)C2)cc1 ZINC000293398684 263139645 /nfs/dbraw/zinc/13/96/45/263139645.db2.gz RAQRJJBEZWSAMO-FUHWJXTLSA-N 1 1 281.403 3.482 20 30 CGEDMO N#CCCOCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000293590499 263143832 /nfs/dbraw/zinc/14/38/32/263143832.db2.gz OGBOZYAGKVOGRP-RCCFBDPRSA-N 1 1 284.403 3.185 20 30 CGEDMO COC[C@]1(C)CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000296728560 263195831 /nfs/dbraw/zinc/19/58/31/263195831.db2.gz NXOMPQNHHGSMIG-GOSISDBHSA-N 1 1 286.419 3.346 20 30 CGEDMO COc1ccccc1O[C@@H]1CCC[N@H+]([C@@H](C)CCC#N)C1 ZINC000298507051 263220548 /nfs/dbraw/zinc/22/05/48/263220548.db2.gz KLVGGJLQWDKJSG-LSDHHAIUSA-N 1 1 288.391 3.231 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000298826279 263226725 /nfs/dbraw/zinc/22/67/25/263226725.db2.gz GMXBYHSTAYZSNV-GJZGRUSLSA-N 1 1 258.365 3.080 20 30 CGEDMO COCc1ccc([C@@H]2CCC[N@H+]2[C@@H](C)CCC#N)o1 ZINC000299241726 263236212 /nfs/dbraw/zinc/23/62/12/263236212.db2.gz JEHMHHCRHZKSEW-JSGCOSHPSA-N 1 1 262.353 3.255 20 30 CGEDMO C=CC[N@@H+](C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000121366562 263294759 /nfs/dbraw/zinc/29/47/59/263294759.db2.gz VTVOEJPXMKLICH-UHFFFAOYSA-N 1 1 287.190 3.440 20 30 CGEDMO C=CC[C@@H](C)NC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000342110878 263389161 /nfs/dbraw/zinc/38/91/61/263389161.db2.gz ZJZOAXCEVVAVHA-QLFBSQMISA-N 1 1 295.471 3.007 20 30 CGEDMO CCC[N@@H+](CCCSCC#N)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000342157603 263401394 /nfs/dbraw/zinc/40/13/94/263401394.db2.gz RZOZOQKYTNCVHY-RBSFLKMASA-N 1 1 296.480 3.159 20 30 CGEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(C(C)(C)C)on1 ZINC000330674338 264014091 /nfs/dbraw/zinc/01/40/91/264014091.db2.gz QGZITEUZUPTSPG-LBPRGKRZSA-N 1 1 293.411 3.151 20 30 CGEDMO CC#CC[N@H+](CCC)C1CCN(C(=O)c2ccccc2)CC1 ZINC000160196820 264237754 /nfs/dbraw/zinc/23/77/54/264237754.db2.gz NEJWXAREJOKHHS-UHFFFAOYSA-N 1 1 298.430 3.027 20 30 CGEDMO C=CC[N@H+](CCCn1ccnc1)Cc1ccc(OCC)cc1 ZINC000161246489 264279380 /nfs/dbraw/zinc/27/93/80/264279380.db2.gz QKWNDYBQPDUZKV-UHFFFAOYSA-N 1 1 299.418 3.360 20 30 CGEDMO C=CCCC[N@@H+](C)Cc1nc(Cc2ccccc2)no1 ZINC000076735107 264344210 /nfs/dbraw/zinc/34/42/10/264344210.db2.gz UQGBLABZWZOUFR-UHFFFAOYSA-N 1 1 271.364 3.058 20 30 CGEDMO C=CCCC[N@H+](C)Cc1nc(Cc2ccccc2)no1 ZINC000076735107 264344212 /nfs/dbraw/zinc/34/42/12/264344212.db2.gz UQGBLABZWZOUFR-UHFFFAOYSA-N 1 1 271.364 3.058 20 30 CGEDMO COc1ccccc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000042268068 270032219 /nfs/dbraw/zinc/03/22/19/270032219.db2.gz YDIFYOYOZZOHMP-UHFFFAOYSA-N 1 1 266.344 3.199 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCOc1ccc2c(c1)OCO2 ZINC000519224239 265369261 /nfs/dbraw/zinc/36/92/61/265369261.db2.gz YIJJISVQAVTYKF-UHFFFAOYSA-N 1 1 277.364 3.082 20 30 CGEDMO CC1(C)C[N@H+](Cc2ccccc2C#N)CC2(CCCC2)O1 ZINC000190971491 270074230 /nfs/dbraw/zinc/07/42/30/270074230.db2.gz GGMSXXGSWVEUKD-UHFFFAOYSA-N 1 1 284.403 3.482 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccccc2C#N)CC2(CCCC2)O1 ZINC000190971491 270074231 /nfs/dbraw/zinc/07/42/31/270074231.db2.gz GGMSXXGSWVEUKD-UHFFFAOYSA-N 1 1 284.403 3.482 20 30 CGEDMO C[C@H]1C[C@H](C)CN(C(C)(C)C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000237549592 270090612 /nfs/dbraw/zinc/09/06/12/270090612.db2.gz OEGBDBZYCKBFQJ-HOTGVXAUSA-N 1 1 299.462 3.404 20 30 CGEDMO C=CCOc1ccc(C[N@H+](CCO)[C@@H]2CC[C@H](C)C2)cc1 ZINC000356365862 266102616 /nfs/dbraw/zinc/10/26/16/266102616.db2.gz NSMOUAIQACULLA-DOTOQJQBSA-N 1 1 289.419 3.234 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000356438362 266114603 /nfs/dbraw/zinc/11/46/03/266114603.db2.gz NDGHDIKWQXMQIY-UHFFFAOYSA-N 1 1 259.271 3.419 20 30 CGEDMO C=CCCC1(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000356542110 266134021 /nfs/dbraw/zinc/13/40/21/266134021.db2.gz NFVGKVOFMZHXNS-SJORKVTESA-N 1 1 298.430 3.294 20 30 CGEDMO C[C@@H]1[C@H](C)N(Cc2ccccc2C(C)(C)C#N)CC[N@@H+]1C ZINC000356996710 266228565 /nfs/dbraw/zinc/22/85/65/266228565.db2.gz HQSHNTFEVJXTPR-CABCVRRESA-N 1 1 285.435 3.012 20 30 CGEDMO C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2C(C)(C)C#N)CCN1C ZINC000356996710 266228569 /nfs/dbraw/zinc/22/85/69/266228569.db2.gz HQSHNTFEVJXTPR-CABCVRRESA-N 1 1 285.435 3.012 20 30 CGEDMO C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2C(C)(C)C#N)CCN1C ZINC000356996710 266228570 /nfs/dbraw/zinc/22/85/70/266228570.db2.gz HQSHNTFEVJXTPR-CABCVRRESA-N 1 1 285.435 3.012 20 30 CGEDMO C=CC[N@@H+](CC(=O)N(Cc1ccc(C)cc1)C1CC1)C1CC1 ZINC000357548108 266319827 /nfs/dbraw/zinc/31/98/27/266319827.db2.gz ACAGTUJIKXQKDS-UHFFFAOYSA-N 1 1 298.430 3.136 20 30 CGEDMO C=CC[N@H+](CC(=O)N(Cc1ccc(C)cc1)C1CC1)C1CC1 ZINC000357548108 266319828 /nfs/dbraw/zinc/31/98/28/266319828.db2.gz ACAGTUJIKXQKDS-UHFFFAOYSA-N 1 1 298.430 3.136 20 30 CGEDMO C=CC[N@@H+](CC(=O)N(Cc1ccccc1)C(C)C)C1CC1 ZINC000357548185 266319924 /nfs/dbraw/zinc/31/99/24/266319924.db2.gz BFOMNUDQQYURFJ-UHFFFAOYSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CC[N@H+](CC(=O)N(Cc1ccccc1)C(C)C)C1CC1 ZINC000357548185 266319929 /nfs/dbraw/zinc/31/99/29/266319929.db2.gz BFOMNUDQQYURFJ-UHFFFAOYSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CCC[C@H](NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000362904001 267059577 /nfs/dbraw/zinc/05/95/77/267059577.db2.gz KAPJFUSMZUWRJM-UAGQMJEPSA-N 1 1 286.419 3.008 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000368070368 267143486 /nfs/dbraw/zinc/14/34/86/267143486.db2.gz CPSPWWVMSSHDKS-UONOGXRCSA-N 1 1 264.413 3.206 20 30 CGEDMO CS[C@H]1CCCC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000369047611 267219517 /nfs/dbraw/zinc/21/95/17/267219517.db2.gz KVJOSNRXLGWQBJ-HNNXBMFYSA-N 1 1 296.480 3.304 20 30 CGEDMO C#CC[N@H+](C)[C@H](c1ccc(Cl)cc1)C1CCOCC1 ZINC000369291304 267232510 /nfs/dbraw/zinc/23/25/10/267232510.db2.gz YCDFGTXPPFSTBI-MRXNPFEDSA-N 1 1 277.795 3.373 20 30 CGEDMO CC[C@H]1[C@H](C)CC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459399824 267236927 /nfs/dbraw/zinc/23/69/27/267236927.db2.gz AXRSGISCSUQFQH-RISCZKNCSA-N 1 1 273.336 3.087 20 30 CGEDMO C=C[C@@H](C)[NH2+][C@@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000119345410 267323815 /nfs/dbraw/zinc/32/38/15/267323815.db2.gz FVMRHXDEJQOMFD-MNOVXSKESA-N 1 1 290.798 3.454 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000370579395 267330013 /nfs/dbraw/zinc/33/00/13/267330013.db2.gz JWSKQNXLTKZDCJ-HOTGVXAUSA-N 1 1 250.430 3.291 20 30 CGEDMO C=CCCCCCN1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000370579395 267330015 /nfs/dbraw/zinc/33/00/15/267330015.db2.gz JWSKQNXLTKZDCJ-HOTGVXAUSA-N 1 1 250.430 3.291 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000370683519 267339107 /nfs/dbraw/zinc/33/91/07/267339107.db2.gz JUNHXCYUJVRPGL-INIZCTEOSA-N 1 1 251.329 3.121 20 30 CGEDMO CCOc1ccc(C[N@H+](CC)C[C@@H](C)C#N)cc1OC ZINC000120008536 267352325 /nfs/dbraw/zinc/35/23/25/267352325.db2.gz BVPRUSBSRGUKFG-ZDUSSCGKSA-N 1 1 276.380 3.075 20 30 CGEDMO CCOc1ccc(C[N@@H+](CC)C[C@@H](C)C#N)cc1OC ZINC000120008536 267352329 /nfs/dbraw/zinc/35/23/29/267352329.db2.gz BVPRUSBSRGUKFG-ZDUSSCGKSA-N 1 1 276.380 3.075 20 30 CGEDMO C=CCCCCC[N@H+]1CCCN(C(=O)c2ccoc2)CC1 ZINC000377105496 268048294 /nfs/dbraw/zinc/04/82/94/268048294.db2.gz WOQOGRIMYYKGTH-UHFFFAOYSA-N 1 1 290.407 3.174 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+](C)C1Cc2ccccc2C1 ZINC000532605864 270217573 /nfs/dbraw/zinc/21/75/73/270217573.db2.gz ITXJGTWYAMLFFG-UHFFFAOYSA-N 1 1 292.382 3.166 20 30 CGEDMO CO[C@@H](C[NH+]1CCC(F)(C#N)CC1)c1ccc(Cl)cc1 ZINC000352485084 274058360 /nfs/dbraw/zinc/05/83/60/274058360.db2.gz XICXNHWMCWIZSM-AWEZNQCLSA-N 1 1 296.773 3.355 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)[C@@H]2CCCc3ccccc32)n1 ZINC000279789627 275385592 /nfs/dbraw/zinc/38/55/92/275385592.db2.gz VJFXEQYDKNBEHD-LJQANCHMSA-N 1 1 293.414 3.416 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCC[C@H]1O ZINC000517274175 276001771 /nfs/dbraw/zinc/00/17/71/276001771.db2.gz ZLKZMXLPJLKZGS-ZWKOTPCHSA-N 1 1 286.419 3.321 20 30 CGEDMO CC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H](C)C(C)C ZINC000112658101 276122031 /nfs/dbraw/zinc/12/20/31/276122031.db2.gz NBMLIDWWULOZHU-AWEZNQCLSA-N 1 1 287.407 3.253 20 30 CGEDMO CCN1CC[C@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)[C@@H](C)C1 ZINC000341707611 276231616 /nfs/dbraw/zinc/23/16/16/276231616.db2.gz NGQFEDXVEKQCEO-JVPBZIDWSA-N 1 1 297.446 3.256 20 30 CGEDMO CS[C@@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000296394326 278146306 /nfs/dbraw/zinc/14/63/06/278146306.db2.gz SUYPKBYJVAHCCB-CQSZACIVSA-N 1 1 265.809 3.129 20 30 CGEDMO Cc1cnc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)s1 ZINC000335183498 281594446 /nfs/dbraw/zinc/59/44/46/281594446.db2.gz WXUAOVJXBGGELX-CQSZACIVSA-N 1 1 269.373 3.100 20 30 CGEDMO N#Cc1cccc(OCCC[N@H+]2CC[C@@H](CC3CC3)C2)c1 ZINC000550422855 289076507 /nfs/dbraw/zinc/07/65/07/289076507.db2.gz RFXVMEOGUAGKBQ-KRWDZBQOSA-N 1 1 284.403 3.449 20 30 CGEDMO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cn2)cc1[N+](=O)[O-] ZINC000558247346 289481723 /nfs/dbraw/zinc/48/17/23/289481723.db2.gz UJOUMHVOFHMJBY-LBPRGKRZSA-N 1 1 296.330 3.021 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412060081 328101779 /nfs/dbraw/zinc/10/17/79/328101779.db2.gz DUJPXQRAXJAUIS-HNNXBMFYSA-N 1 1 279.424 3.234 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000336703090 328130109 /nfs/dbraw/zinc/13/01/09/328130109.db2.gz FVFAWITVZXRGLS-ROUUACIJSA-N 1 1 270.420 3.016 20 30 CGEDMO C=CCC[N@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000336703090 328130111 /nfs/dbraw/zinc/13/01/11/328130111.db2.gz FVFAWITVZXRGLS-ROUUACIJSA-N 1 1 270.420 3.016 20 30 CGEDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1C[C@@H](C#N)CCC#N ZINC000267036455 328171968 /nfs/dbraw/zinc/17/19/68/328171968.db2.gz NXLCXMCVNFCZLE-NXHRZFHOSA-N 1 1 281.403 3.383 20 30 CGEDMO CC(C)(C)[N@@H+](CCCC#N)CC(=O)Nc1ccc(F)cc1 ZINC000269255863 328190259 /nfs/dbraw/zinc/19/02/59/328190259.db2.gz DRMBZVIGKZVJEK-UHFFFAOYSA-N 1 1 291.370 3.168 20 30 CGEDMO C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C[C@@H](c2ccccc2)O1 ZINC000278552222 328227179 /nfs/dbraw/zinc/22/71/79/328227179.db2.gz HLSNDIPSUPUGEA-SRABZTEZSA-N 1 1 270.376 3.141 20 30 CGEDMO C[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C#N)C2)C[C@@H](c2ccccc2)O1 ZINC000278552222 328227180 /nfs/dbraw/zinc/22/71/80/328227180.db2.gz HLSNDIPSUPUGEA-SRABZTEZSA-N 1 1 270.376 3.141 20 30 CGEDMO COc1cc(C)c(C[N@@H+](C)[C@@H]2CC[C@H](C#N)C2)cc1OC ZINC000278595925 328227838 /nfs/dbraw/zinc/22/78/38/328227838.db2.gz LOQVKAGGCRXKAS-DZGCQCFKSA-N 1 1 288.391 3.136 20 30 CGEDMO C=C(C)C[N@@H+](CC)[C@H](C)c1ncc(Br)cn1 ZINC000340274867 328252821 /nfs/dbraw/zinc/25/28/21/328252821.db2.gz ABLVYKWDLGHFCB-SNVBAGLBSA-N 1 1 284.201 3.198 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)c1ncc(Br)cn1 ZINC000340274867 328252822 /nfs/dbraw/zinc/25/28/22/328252822.db2.gz ABLVYKWDLGHFCB-SNVBAGLBSA-N 1 1 284.201 3.198 20 30 CGEDMO Cc1cc(C[NH2+][C@@H](c2ccccc2F)[C@H](C)O)ccc1C#N ZINC000563255740 321986495 /nfs/dbraw/zinc/98/64/95/321986495.db2.gz NGQBDPZRVBXBCF-SCLBCKFNSA-N 1 1 298.361 3.218 20 30 CGEDMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000563727549 322007936 /nfs/dbraw/zinc/00/79/36/322007936.db2.gz VQYOBQHGLMHUAO-ZDUSSCGKSA-N 1 1 283.350 3.155 20 30 CGEDMO C[N@H+]1CCN(Cc2cccc(C#N)c2)CC12CCCCC2 ZINC000565429630 322077472 /nfs/dbraw/zinc/07/74/72/322077472.db2.gz FAFRYVKWCDYCMG-UHFFFAOYSA-N 1 1 283.419 3.009 20 30 CGEDMO CN1CC[N@@H+](Cc2cccc(C#N)c2)CC12CCCCC2 ZINC000565429630 322077476 /nfs/dbraw/zinc/07/74/76/322077476.db2.gz FAFRYVKWCDYCMG-UHFFFAOYSA-N 1 1 283.419 3.009 20 30 CGEDMO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cnc(C3CC3)o1)CC2 ZINC000572110634 322320359 /nfs/dbraw/zinc/32/03/59/322320359.db2.gz XAJJBZZQFSYHKU-INIZCTEOSA-N 1 1 279.343 3.201 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccn2)cc1F ZINC000573388268 322385662 /nfs/dbraw/zinc/38/56/62/322385662.db2.gz ZYZOUXPWCPYUIM-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccccn2)cc1F ZINC000573388268 322385666 /nfs/dbraw/zinc/38/56/66/322385666.db2.gz ZYZOUXPWCPYUIM-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1noc(COC(C)C)n1 ZINC000290827061 328532414 /nfs/dbraw/zinc/53/24/14/328532414.db2.gz HFVOALSENUOXOE-YNEHKIRRSA-N 1 1 281.400 3.246 20 30 CGEDMO C=C(CC)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000557292184 327000511 /nfs/dbraw/zinc/00/05/11/327000511.db2.gz QPVPUUZHMQAQCE-SFHVURJKSA-N 1 1 272.436 3.407 20 30 CGEDMO C=C(CC)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000557292184 327000512 /nfs/dbraw/zinc/00/05/12/327000512.db2.gz QPVPUUZHMQAQCE-SFHVURJKSA-N 1 1 272.436 3.407 20 30 CGEDMO C=C(CC)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000557292184 327000514 /nfs/dbraw/zinc/00/05/14/327000514.db2.gz QPVPUUZHMQAQCE-SFHVURJKSA-N 1 1 272.436 3.407 20 30 CGEDMO C=C(CC)C[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000557292184 327000516 /nfs/dbraw/zinc/00/05/16/327000516.db2.gz QPVPUUZHMQAQCE-SFHVURJKSA-N 1 1 272.436 3.407 20 30 CGEDMO C=C(CC)C[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000557292184 327000517 /nfs/dbraw/zinc/00/05/17/327000517.db2.gz QPVPUUZHMQAQCE-SFHVURJKSA-N 1 1 272.436 3.407 20 30 CGEDMO C=C(CC)CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000557292184 327000519 /nfs/dbraw/zinc/00/05/19/327000519.db2.gz QPVPUUZHMQAQCE-SFHVURJKSA-N 1 1 272.436 3.407 20 30 CGEDMO C=C(CC)CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000557292184 327000521 /nfs/dbraw/zinc/00/05/21/327000521.db2.gz QPVPUUZHMQAQCE-SFHVURJKSA-N 1 1 272.436 3.407 20 30 CGEDMO C=CCCCC[C@@H](C)[NH2+]C1CCN(C[C@H]2CCOC2)CC1 ZINC000449162319 327102292 /nfs/dbraw/zinc/10/22/92/327102292.db2.gz RGEQYAMZZJZJTF-IAGOWNOFSA-N 1 1 294.483 3.212 20 30 CGEDMO Cc1ccccc1[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)CCO1 ZINC000559105898 327141615 /nfs/dbraw/zinc/14/16/15/327141615.db2.gz JQNFRLZYEPRZTO-UXLLHSPISA-N 1 1 270.376 3.061 20 30 CGEDMO Cc1ccccc1[C@@H]1C[N@H+]([C@@H]2CC[C@H](C#N)C2)CCO1 ZINC000559105898 327141617 /nfs/dbraw/zinc/14/16/17/327141617.db2.gz JQNFRLZYEPRZTO-UXLLHSPISA-N 1 1 270.376 3.061 20 30 CGEDMO C[C@@H]1[C@@H](C)C[N@H+]1CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000559349372 327163472 /nfs/dbraw/zinc/16/34/72/327163472.db2.gz AIUNDTATQGRXMN-NWDGAFQWSA-N 1 1 283.293 3.277 20 30 CGEDMO C[C@@H](C#N)S[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000578131740 327301902 /nfs/dbraw/zinc/30/19/02/327301902.db2.gz RXSRAAOWKSPCQV-ZFWWWQNUSA-N 1 1 260.406 3.296 20 30 CGEDMO C=CCOCC[N@@H+]1CC[C@H](c2ccc(CC)cc2)C1 ZINC000561039674 327360225 /nfs/dbraw/zinc/36/02/25/327360225.db2.gz IAGAFGFSQXUUDD-KRWDZBQOSA-N 1 1 259.393 3.241 20 30 CGEDMO N#CCCCC[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000377725378 329027250 /nfs/dbraw/zinc/02/72/50/329027250.db2.gz NQMDYJIUEOUDAI-QGZVFWFLSA-N 1 1 270.376 3.150 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CCCOC(C)(C)C2)cc1 ZINC000378346373 329046853 /nfs/dbraw/zinc/04/68/53/329046853.db2.gz QLWQKHGGWMSRSO-UHFFFAOYSA-N 1 1 287.403 3.090 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+]C[C@@H](c1ccccc1)C(F)(F)F ZINC000582602160 329114260 /nfs/dbraw/zinc/11/42/60/329114260.db2.gz MCTBAAAGGGDQAN-OCCSQVGLSA-N 1 1 295.308 3.366 20 30 CGEDMO N#CCSCCC[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000173868584 329153096 /nfs/dbraw/zinc/15/30/96/329153096.db2.gz PTPZMPBBSNKOPT-MRXNPFEDSA-N 1 1 292.423 3.479 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)CC(=C)C)cc1OC ZINC000181043256 329225191 /nfs/dbraw/zinc/22/51/91/329225191.db2.gz UIRBUMWXNVWCCR-UHFFFAOYSA-N 1 1 261.365 3.268 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1c[nH]nc1-c1cccc(C)c1 ZINC000181049316 329225395 /nfs/dbraw/zinc/22/53/95/329225395.db2.gz MYMCCZQGDFTGCU-UHFFFAOYSA-N 1 1 255.365 3.393 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000181050545 329225595 /nfs/dbraw/zinc/22/55/95/329225595.db2.gz VOOQJZUTQITPLH-UHFFFAOYSA-N 1 1 255.365 3.393 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@H](C)c1nc(-c2ccccc2)no1 ZINC000181248188 329227418 /nfs/dbraw/zinc/22/74/18/329227418.db2.gz QMUDVIIOGPPPCV-GFCCVEGCSA-N 1 1 257.337 3.306 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)c1nc(-c2ccccc2)no1 ZINC000181248188 329227419 /nfs/dbraw/zinc/22/74/19/329227419.db2.gz QMUDVIIOGPPPCV-GFCCVEGCSA-N 1 1 257.337 3.306 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000181253502 329228109 /nfs/dbraw/zinc/22/81/09/329228109.db2.gz YXWMNTPKKGWRDF-MRXNPFEDSA-N 1 1 288.435 3.320 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H]1CC[C@H](C)O1 ZINC000190418724 329396625 /nfs/dbraw/zinc/39/66/25/329396625.db2.gz DVHYSKVAORKILM-WMLDXEAASA-N 1 1 275.392 3.251 20 30 CGEDMO C=C(CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000423021059 330165562 /nfs/dbraw/zinc/16/55/62/330165562.db2.gz BCPLYUGWTHDHGE-OKZBNKHCSA-N 1 1 270.420 3.210 20 30 CGEDMO C=C(C[NH2+][C@H](Cc1ccccc1)[C@H](C)N)c1ccccc1 ZINC000423024012 330165827 /nfs/dbraw/zinc/16/58/27/330165827.db2.gz IKEOWDVYIDAMJB-QFBILLFUSA-N 1 1 280.415 3.248 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000527198826 330235891 /nfs/dbraw/zinc/23/58/91/330235891.db2.gz XYFSAHBVOKOWGS-UHFFFAOYSA-N 1 1 264.413 3.350 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)NCc1ccccc1 ZINC000532966909 330323433 /nfs/dbraw/zinc/32/34/33/330323433.db2.gz BFWHNZDRQMATBN-INIZCTEOSA-N 1 1 288.435 3.370 20 30 CGEDMO CC#CC[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000533012585 330324240 /nfs/dbraw/zinc/32/42/40/330324240.db2.gz NUDHSSOGDOKDAA-ZDUSSCGKSA-N 1 1 270.401 3.499 20 30 CGEDMO C=C(C)CN1CCC([NH2+]Cc2cc(C)ccc2OC)CC1 ZINC000106245789 330333841 /nfs/dbraw/zinc/33/38/41/330333841.db2.gz XJKPTURKXYWMPM-UHFFFAOYSA-N 1 1 288.435 3.134 20 30 CGEDMO C=CCn1cc(C[NH2+][C@@H](CC)c2cccc(C)c2)nn1 ZINC000424289651 330334389 /nfs/dbraw/zinc/33/43/89/330334389.db2.gz AASGXOLJPIBYHL-INIZCTEOSA-N 1 1 270.380 3.013 20 30 CGEDMO C=CCn1cc(C[NH2+][C@@H](C)c2cc(C)c(C)cc2C)nn1 ZINC000424293828 330335451 /nfs/dbraw/zinc/33/54/51/330335451.db2.gz JOZCXXASMFJJSD-HNNXBMFYSA-N 1 1 284.407 3.240 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000424584479 330389107 /nfs/dbraw/zinc/38/91/07/330389107.db2.gz AQXKTUJTFGWMQH-IYBDPMFKSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCOc1ccc(C[NH2+]Cc2cnc(C3CC3)o2)cc1 ZINC000449696343 330944343 /nfs/dbraw/zinc/94/43/43/330944343.db2.gz HUYOHKPOABYCBB-UHFFFAOYSA-N 1 1 284.359 3.407 20 30 CGEDMO C[C@]1(O)CCCC[C@@H]1[C@@H]1CCC[N@H+]1CC1(C#N)CCC1 ZINC000450953808 331008519 /nfs/dbraw/zinc/00/85/19/331008519.db2.gz AFBUJMUBYODBJA-PMPSAXMXSA-N 1 1 276.424 3.086 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)CC1CC(F)(F)C1 ZINC000450980514 331009911 /nfs/dbraw/zinc/00/99/11/331009911.db2.gz FMDDWJLKSCZNHB-UHFFFAOYSA-N 1 1 285.334 3.195 20 30 CGEDMO C[C@@]12C[N@@H+](Cc3ccc(CC#N)cc3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451357492 331025569 /nfs/dbraw/zinc/02/55/69/331025569.db2.gz ALZQLRHMRWLPEM-XWSJACJDSA-N 1 1 278.399 3.397 20 30 CGEDMO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1nnc(-c2ccc(C)cc2)o1 ZINC000451596112 331035537 /nfs/dbraw/zinc/03/55/37/331035537.db2.gz GEOIVCSTDOKMPQ-CFVMTHIKSA-N 1 1 299.374 3.039 20 30 CGEDMO CC[C@H]1C[N@@H+](CC)CCN1CC#Cc1cccc(Cl)c1 ZINC000451740498 331040782 /nfs/dbraw/zinc/04/07/82/331040782.db2.gz METXUNMTQWRZMI-KRWDZBQOSA-N 1 1 290.838 3.108 20 30 CGEDMO Clc1ccccc1C#CC[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451900795 331046741 /nfs/dbraw/zinc/04/67/41/331046741.db2.gz MDQNKHMOQMPANF-QGZVFWFLSA-N 1 1 289.806 3.194 20 30 CGEDMO Clc1ccccc1C#CC[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451900795 331046742 /nfs/dbraw/zinc/04/67/42/331046742.db2.gz MDQNKHMOQMPANF-QGZVFWFLSA-N 1 1 289.806 3.194 20 30 CGEDMO Clc1ccc(C#CC[N@H+]2CCC[C@@]3(CCOC3)C2)cc1 ZINC000451907408 331047003 /nfs/dbraw/zinc/04/70/03/331047003.db2.gz VANRKLHUMMGDNJ-QGZVFWFLSA-N 1 1 289.806 3.194 20 30 CGEDMO C=CCC1(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)CCCC1 ZINC000453353096 331121104 /nfs/dbraw/zinc/12/11/04/331121104.db2.gz HJAMOIRETBVLFM-HRCADAONSA-N 1 1 264.457 3.441 20 30 CGEDMO C[C@H]1C[C@H](Nc2cccc(OCCCC#N)c2)C[N@H+]1C1CC1 ZINC000163990341 331147001 /nfs/dbraw/zinc/14/70/01/331147001.db2.gz HLIUKQTUOPTAIR-HOCLYGCPSA-N 1 1 299.418 3.406 20 30 CGEDMO C=CC[C@@H](CC)NC(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000455618467 331174052 /nfs/dbraw/zinc/17/40/52/331174052.db2.gz IYGGMVSOOMBPDM-GFCCVEGCSA-N 1 1 272.352 3.119 20 30 CGEDMO CC(C)(CC#N)C[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000459738873 331297244 /nfs/dbraw/zinc/29/72/44/331297244.db2.gz YEFTYDYQHKJRIG-UHFFFAOYSA-N 1 1 277.315 3.191 20 30 CGEDMO CC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCOC1 ZINC000463450897 331347918 /nfs/dbraw/zinc/34/79/18/331347918.db2.gz MPLIISCEWHUQBF-OAHLLOKOSA-N 1 1 297.320 3.168 20 30 CGEDMO C=CCC[C@H](CCC)[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000470326025 331478079 /nfs/dbraw/zinc/47/80/79/331478079.db2.gz CLUIDIGMSKJSNH-STQMWFEESA-N 1 1 255.402 3.441 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1 ZINC000489458972 332053891 /nfs/dbraw/zinc/05/38/91/332053891.db2.gz FOURKNPYHYQNCP-AWEZNQCLSA-N 1 1 278.783 3.319 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1 ZINC000489458972 332053892 /nfs/dbraw/zinc/05/38/92/332053892.db2.gz FOURKNPYHYQNCP-AWEZNQCLSA-N 1 1 278.783 3.319 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000489476318 332055069 /nfs/dbraw/zinc/05/50/69/332055069.db2.gz MTBDBZLIJWNGDR-ZDUSSCGKSA-N 1 1 276.336 3.014 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000489475515 332055087 /nfs/dbraw/zinc/05/50/87/332055087.db2.gz HBTLKHWAKDXRQM-CYBMUJFWSA-N 1 1 276.336 3.144 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000489475515 332055089 /nfs/dbraw/zinc/05/50/89/332055089.db2.gz HBTLKHWAKDXRQM-CYBMUJFWSA-N 1 1 276.336 3.144 20 30 CGEDMO C#CC[N@@H+](CC)Cc1cnc(-c2cccs2)s1 ZINC000490876696 332124207 /nfs/dbraw/zinc/12/42/07/332124207.db2.gz VGPYJBUWDAKKEN-UHFFFAOYSA-N 1 1 262.403 3.327 20 30 CGEDMO C#CC[N@H+](CC)Cc1cnc(-c2cccs2)s1 ZINC000490876696 332124209 /nfs/dbraw/zinc/12/42/09/332124209.db2.gz VGPYJBUWDAKKEN-UHFFFAOYSA-N 1 1 262.403 3.327 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)C/C(C)=C\c1ccccc1COC ZINC000491072552 332146926 /nfs/dbraw/zinc/14/69/26/332146926.db2.gz STDGVNFDLMIGQO-QKXCFHHRSA-N 1 1 257.377 3.190 20 30 CGEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H]1CCO[C@H](C)C1 ZINC000491115331 332151135 /nfs/dbraw/zinc/15/11/35/332151135.db2.gz RLEWIYWWDMLLEK-WBVHZDCISA-N 1 1 289.419 3.498 20 30 CGEDMO C#CC[N@@H+](Cc1cnc(C2CC2)nc1)C1CCCCC1 ZINC000491294777 332183246 /nfs/dbraw/zinc/18/32/46/332183246.db2.gz CWOXQTCKBOVIJR-UHFFFAOYSA-N 1 1 269.392 3.122 20 30 CGEDMO C#C[C@H](CC)NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000491516474 332227902 /nfs/dbraw/zinc/22/79/02/332227902.db2.gz UJAYLVURUZQMMJ-INMHGKMJSA-N 1 1 262.441 3.031 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000491662766 332272060 /nfs/dbraw/zinc/27/20/60/332272060.db2.gz RHGNFSUXIRKZCL-JTQLQIEISA-N 1 1 299.201 3.276 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1nccn1Cc1ccccc1)C(C)(C)C ZINC000491777610 332342743 /nfs/dbraw/zinc/34/27/43/332342743.db2.gz XGZULMDYZXFUPZ-MRXNPFEDSA-N 1 1 281.403 3.069 20 30 CGEDMO C#C[C@H]([NH2+]Cc1cc(OC)cc(OC)c1)c1ccc(F)cc1 ZINC000491815907 332366916 /nfs/dbraw/zinc/36/69/16/332366916.db2.gz QPQKOEMKHRMVHU-SFHVURJKSA-N 1 1 299.345 3.307 20 30 CGEDMO C=CCCCC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000175382653 333023520 /nfs/dbraw/zinc/02/35/20/333023520.db2.gz DPWUQSHASFKSKN-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCNC(=O)C[N@H+](C)[C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000175434790 333024865 /nfs/dbraw/zinc/02/48/65/333024865.db2.gz TWGFTBXOTPJOKL-STQMWFEESA-N 1 1 294.826 3.066 20 30 CGEDMO Cc1c(C[N@@H+](C)Cc2ccccc2C(C)(C)C#N)cnn1C ZINC000575826983 335119934 /nfs/dbraw/zinc/11/99/34/335119934.db2.gz YBCUAHKQIMUAJJ-UHFFFAOYSA-N 1 1 296.418 3.162 20 30 CGEDMO CC#CCC[N@@H+]1CCO[C@H](c2ccc(CC)cc2)C1 ZINC000190285677 333205316 /nfs/dbraw/zinc/20/53/16/333205316.db2.gz BLDQDDOZOPVRDL-KRWDZBQOSA-N 1 1 257.377 3.036 20 30 CGEDMO CC#CCC[N@H+]1CCO[C@H](c2ccc(CC)cc2)C1 ZINC000190285677 333205317 /nfs/dbraw/zinc/20/53/17/333205317.db2.gz BLDQDDOZOPVRDL-KRWDZBQOSA-N 1 1 257.377 3.036 20 30 CGEDMO C=CCCCCC[N@H+]1CCOC[C@H]1c1cccn1C ZINC000193556808 333253176 /nfs/dbraw/zinc/25/31/76/333253176.db2.gz OURCBYNUBGCEPJ-INIZCTEOSA-N 1 1 262.397 3.145 20 30 CGEDMO C=CCCCCC[N@@H+]1CCOC[C@H]1c1cccn1C ZINC000193556808 333253177 /nfs/dbraw/zinc/25/31/77/333253177.db2.gz OURCBYNUBGCEPJ-INIZCTEOSA-N 1 1 262.397 3.145 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](C(=O)OCC)C1 ZINC000233674222 333354250 /nfs/dbraw/zinc/35/42/50/333354250.db2.gz WRSICJRTQAUTLU-CQSZACIVSA-N 1 1 253.386 3.008 20 30 CGEDMO C[C@@H]1CC[C@@H]([N@H+](CC#Cc2cccc(Cl)c2)CCO)C1 ZINC000572529507 333383882 /nfs/dbraw/zinc/38/38/82/333383882.db2.gz WIOFCTRZMFJQOD-RHSMWYFYSA-N 1 1 291.822 3.174 20 30 CGEDMO CC#CC[N@H+](CCc1ccc(OC)c(OC)c1)CC(C)C ZINC000525109827 333398503 /nfs/dbraw/zinc/39/85/03/333398503.db2.gz KEVPZTVKDVERHA-UHFFFAOYSA-N 1 1 289.419 3.228 20 30 CGEDMO C=CCn1c(C)cc(C(=O)Cn2cc[nH+]c2C2CC2)c1C ZINC000530132097 333525263 /nfs/dbraw/zinc/52/52/63/333525263.db2.gz XHRBSFALDXUPMF-UHFFFAOYSA-N 1 1 283.375 3.248 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](CCCC(C)(C)C#N)CCCO1 ZINC000339824420 335148962 /nfs/dbraw/zinc/14/89/62/335148962.db2.gz GIUNTUQKUICYDG-CQSZACIVSA-N 1 1 252.402 3.063 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000546643615 334043026 /nfs/dbraw/zinc/04/30/26/334043026.db2.gz IBTIBPXHXWWJOV-HNNXBMFYSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)Nc1ccc(Cl)cc1C ZINC000076738512 334088251 /nfs/dbraw/zinc/08/82/51/334088251.db2.gz BZPUARSTTOATQZ-UHFFFAOYSA-N 1 1 280.799 3.485 20 30 CGEDMO C=C(C)C[N@@H+](CCOC[C@@H]1CCCO1)Cc1ccccc1 ZINC000548425541 334155611 /nfs/dbraw/zinc/15/56/11/334155611.db2.gz OOCXKWBJXCBXOZ-SFHVURJKSA-N 1 1 289.419 3.260 20 30 CGEDMO CCS[C@@H]1CC[C@@H]([N@@H+](C)CCCSCC#N)C1 ZINC000080633266 334172903 /nfs/dbraw/zinc/17/29/03/334172903.db2.gz VCPYBLQYUBPUNK-CHWSQXEVSA-N 1 1 272.483 3.239 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@@H]1Cc1ccc(C)cc1 ZINC000549446241 334194059 /nfs/dbraw/zinc/19/40/59/334194059.db2.gz JSUNLRGEECVAEU-QGZVFWFLSA-N 1 1 259.393 3.205 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000091579610 334380722 /nfs/dbraw/zinc/38/07/22/334380722.db2.gz OBUQXYVUFYXHBM-GFCCVEGCSA-N 1 1 265.353 3.334 20 30 CGEDMO C[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000343750219 335218755 /nfs/dbraw/zinc/21/87/55/335218755.db2.gz NGPSAOWNYVRDCU-AWEZNQCLSA-N 1 1 265.360 3.341 20 30 CGEDMO C[C@@H]1Cc2[nH+]cn(CC#Cc3ccccc3)c2C[C@@H]1C ZINC000380773841 336028454 /nfs/dbraw/zinc/02/84/54/336028454.db2.gz QXOCPNWFDJTHIF-CABCVRRESA-N 1 1 264.372 3.306 20 30 CGEDMO CC[N@@H+](Cc1cccc(C(=O)OC)c1C#N)CC(C)(C)C ZINC000581522558 336093964 /nfs/dbraw/zinc/09/39/64/336093964.db2.gz MXODAFOOSKZLEX-UHFFFAOYSA-N 1 1 288.391 3.213 20 30 CGEDMO N#Cc1ccccc1OCC[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000387237035 336189614 /nfs/dbraw/zinc/18/96/14/336189614.db2.gz BMRDOFPEUUIMEJ-SFHVURJKSA-N 1 1 292.382 3.427 20 30 CGEDMO CCCc1csc(C[NH+]2CCC(CC#N)CC2)n1 ZINC000564699014 500676563 /nfs/dbraw/zinc/67/65/63/500676563.db2.gz NGYQSHNLJFVNQT-UHFFFAOYSA-N 1 1 263.410 3.221 20 30 CGEDMO Cc1c([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)cnn1C ZINC000358562499 533955891 /nfs/dbraw/zinc/95/58/91/533955891.db2.gz GWUSTPHKPOPGBN-MNOVXSKESA-N 1 1 286.354 3.151 20 30 CGEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1n[nH]c2cc(F)ccc21 ZINC000330004477 534227697 /nfs/dbraw/zinc/22/76/97/534227697.db2.gz CPYABPOLLOOWIG-AOOOYVTPSA-N 1 1 290.342 3.163 20 30 CGEDMO C[C@@H]([N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1)C1(C)CC1 ZINC000437533203 534285810 /nfs/dbraw/zinc/28/58/10/534285810.db2.gz FEWJCAHYCKQKFZ-GFCCVEGCSA-N 1 1 296.374 3.229 20 30 CGEDMO COc1cc(C[NH2+]Cc2cc(F)ccc2F)ccc1C#N ZINC000234925928 522463742 /nfs/dbraw/zinc/46/37/42/522463742.db2.gz JTSGRMBTMHWELY-UHFFFAOYSA-N 1 1 288.297 3.135 20 30 CGEDMO CN(CC[C@H]1CCCC[N@H+]1C)Cc1ccc(C#N)cc1F ZINC000075860029 522935061 /nfs/dbraw/zinc/93/50/61/522935061.db2.gz UPFMPEUVSCUYSH-MRXNPFEDSA-N 1 1 289.398 3.004 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)c1 ZINC000368620867 534786006 /nfs/dbraw/zinc/78/60/06/534786006.db2.gz FRFPBGVJIGGFHA-INIZCTEOSA-N 1 1 295.361 3.157 20 30 CGEDMO C=CC[N@H+](CCCCF)Cc1ccc(OC)cc1 ZINC000351914291 526273649 /nfs/dbraw/zinc/27/36/49/526273649.db2.gz WFJIXQRWRCPPNJ-UHFFFAOYSA-N 1 1 251.345 3.433 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@H]1CCO[C@H](C)C1 ZINC000352690692 526347215 /nfs/dbraw/zinc/34/72/15/526347215.db2.gz GJLVQKWOOXKKIU-QAPCUYQASA-N 1 1 284.403 3.361 20 30 CGEDMO C=C(C)CC[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000352012926 526447348 /nfs/dbraw/zinc/44/73/48/526447348.db2.gz HBXZLEDTTLXLPW-OAHLLOKOSA-N 1 1 267.319 3.304 20 30 CGEDMO C=C(C)CC[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000352012926 526447351 /nfs/dbraw/zinc/44/73/51/526447351.db2.gz HBXZLEDTTLXLPW-OAHLLOKOSA-N 1 1 267.319 3.304 20 30 CGEDMO C=C(C)C[NH+]1CCC(NCc2ccc(F)cc2C)CC1 ZINC000106245168 526604558 /nfs/dbraw/zinc/60/45/58/526604558.db2.gz SIGPWVAJEJHMEJ-UHFFFAOYSA-N 1 1 276.399 3.264 20 30 CGEDMO C=CC[NH2+][C@@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000344698927 526678294 /nfs/dbraw/zinc/67/82/94/526678294.db2.gz JCXRVVDEQIGUTP-JTQLQIEISA-N 1 1 261.300 3.021 20 30 CGEDMO N#Cc1ccccc1OCC[N@H+]1CC[C@H](CC2CC2)C1 ZINC000339679573 526746940 /nfs/dbraw/zinc/74/69/40/526746940.db2.gz SISHDOIDPWZFMJ-OAHLLOKOSA-N 1 1 270.376 3.059 20 30 CGEDMO C=CCOCCC[N@@H+]1CCC[C@@H]1c1ccc(OC)cc1 ZINC000347975494 526754651 /nfs/dbraw/zinc/75/46/51/526754651.db2.gz WDZQTHIRXLYVIO-QGZVFWFLSA-N 1 1 275.392 3.425 20 30 CGEDMO C=CCOc1ccc(C[NH2+][C@@H](COC)c2ccco2)cc1 ZINC000344798530 526889728 /nfs/dbraw/zinc/88/97/28/526889728.db2.gz CYOFXMBUPVIBOF-INIZCTEOSA-N 1 1 287.359 3.322 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000347075203 527251446 /nfs/dbraw/zinc/25/14/46/527251446.db2.gz GRQWYWGVMREMIA-WBVHZDCISA-N 1 1 274.408 3.417 20 30 CGEDMO CCN1CC[C@H]([N@H+](C)CC(C)(C)CCC#N)C[C@@H]1C ZINC000353769310 527830543 /nfs/dbraw/zinc/83/05/43/527830543.db2.gz RFWGMMXXDBMWKP-GJZGRUSLSA-N 1 1 265.445 3.121 20 30 CGEDMO CCN1CC[C@H]([N@@H+](C)CC(C)(C)CCC#N)C[C@@H]1C ZINC000353769310 527830545 /nfs/dbraw/zinc/83/05/45/527830545.db2.gz RFWGMMXXDBMWKP-GJZGRUSLSA-N 1 1 265.445 3.121 20 30 CGEDMO CCC[N@@H+](CC[C@@H]1CCOC1)Cc1ccc(C#N)cc1 ZINC000437589082 528102913 /nfs/dbraw/zinc/10/29/13/528102913.db2.gz JVQGCXGTTKOWJU-QGZVFWFLSA-N 1 1 272.392 3.197 20 30 CGEDMO CCCC[N@@H+](CCOC)Cc1ccc(C#N)cc1Cl ZINC000439448860 528438728 /nfs/dbraw/zinc/43/87/28/528438728.db2.gz FSEJAQOQNHSZJB-UHFFFAOYSA-N 1 1 280.799 3.460 20 30 CGEDMO CC(C)Cn1cc(NC(=O)CC[C@@H]2CCCC[N@H+]2C)cn1 ZINC000329270943 528712079 /nfs/dbraw/zinc/71/20/79/528712079.db2.gz HTHBJMKKDXGPQG-HNNXBMFYSA-N 1 1 292.427 3.392 20 30 CGEDMO CCOC[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439433957 529030412 /nfs/dbraw/zinc/03/04/12/529030412.db2.gz ANVROFBKECMYQR-ZDUSSCGKSA-N 1 1 278.783 3.070 20 30 CGEDMO CC[C@@H](NC[C@@H]([NH3+])c1ccccc1)c1ccc(C#N)cc1 ZINC000423237334 529174671 /nfs/dbraw/zinc/17/46/71/529174671.db2.gz IHMAVFRVUOBFBR-QZTJIDSGSA-N 1 1 279.387 3.299 20 30 CGEDMO CC[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1F)N1CCCC1 ZINC000358567857 529368304 /nfs/dbraw/zinc/36/83/04/529368304.db2.gz KCJIIFKMNZQZJW-DZGCQCFKSA-N 1 1 289.398 3.222 20 30 CGEDMO CC[C@@H](C)C[N@@H+](C)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000111255072 535492315 /nfs/dbraw/zinc/49/23/15/535492315.db2.gz BAORNBQOBFONAW-PWSUYJOCSA-N 1 1 291.395 3.073 20 30 CGEDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000486767523 535656280 /nfs/dbraw/zinc/65/62/80/535656280.db2.gz AMXSKYQGJPDUHO-YOEHRIQHSA-N 1 1 299.418 3.397 20 30 CGEDMO CC[C@@H](CSC)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000091098545 535767520 /nfs/dbraw/zinc/76/75/20/535767520.db2.gz XWFUMBLHNQPBRL-AWEZNQCLSA-N 1 1 278.421 3.010 20 30 CGEDMO C#CC[N@@H+](CC)[C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000749155540 572989967 /nfs/dbraw/zinc/98/99/67/572989967.db2.gz UNVVUOZYHQQKEK-SNVBAGLBSA-N 1 1 299.201 3.276 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000749155540 572989968 /nfs/dbraw/zinc/98/99/68/572989968.db2.gz UNVVUOZYHQQKEK-SNVBAGLBSA-N 1 1 299.201 3.276 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000726970893 571694264 /nfs/dbraw/zinc/69/42/64/571694264.db2.gz WLYIRTIDAGBJDR-UHFFFAOYSA-N 1 1 295.382 3.339 20 30 CGEDMO C#CCC[NH+]1CCN(C(=O)C[C@H](C)CCCCCC)CC1 ZINC000727675382 571762194 /nfs/dbraw/zinc/76/21/94/571762194.db2.gz KYUPOWCUDKAOOF-QGZVFWFLSA-N 1 1 292.467 3.151 20 30 CGEDMO CCCCCCC[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000729524674 571924150 /nfs/dbraw/zinc/92/41/50/571924150.db2.gz KXEIKPRPSVDCCC-HUUCEWRRSA-N 1 1 268.445 3.051 20 30 CGEDMO C#CC[N@H+](CCCOCC)[C@@H]1CCCc2ccccc21 ZINC000746169756 571955498 /nfs/dbraw/zinc/95/54/98/571955498.db2.gz AALMYZHHYJXXLZ-GOSISDBHSA-N 1 1 271.404 3.426 20 30 CGEDMO C[N@@H+](Cc1ccc(OCC#N)cc1)Cc1cccc(F)c1 ZINC000731210568 572401797 /nfs/dbraw/zinc/40/17/97/572401797.db2.gz RSIVHPQHLKCUIR-UHFFFAOYSA-N 1 1 284.334 3.360 20 30 CGEDMO CCCCCCC[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000740877614 572465573 /nfs/dbraw/zinc/46/55/73/572465573.db2.gz SWCLJWZXASAVKH-KRWDZBQOSA-N 1 1 282.472 3.144 20 30 CGEDMO C=CCCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)CC(C)C ZINC000735413083 572717544 /nfs/dbraw/zinc/71/75/44/572717544.db2.gz OAAXJLVRVJAMOI-UHFFFAOYSA-N 1 1 299.422 3.291 20 30 CGEDMO C#CC[N@H+](Cc1cccc(C(=O)OC)c1)C1CCCCC1 ZINC000744212550 572723465 /nfs/dbraw/zinc/72/34/65/572723465.db2.gz JLUPETJLOLOUKV-UHFFFAOYSA-N 1 1 285.387 3.241 20 30 CGEDMO C#CC[N@H+](Cc1cc(OC)ccc1OC)C1CCCC1 ZINC000746158061 572858032 /nfs/dbraw/zinc/85/80/32/572858032.db2.gz SOQVMANZPNZBLV-UHFFFAOYSA-N 1 1 273.376 3.082 20 30 CGEDMO C=C(Br)C[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000747668237 572940057 /nfs/dbraw/zinc/94/00/57/572940057.db2.gz CAKINNJLDIBTNU-CYBMUJFWSA-N 1 1 282.181 3.438 20 30 CGEDMO C=C(Br)C[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000747668237 572940058 /nfs/dbraw/zinc/94/00/58/572940058.db2.gz CAKINNJLDIBTNU-CYBMUJFWSA-N 1 1 282.181 3.438 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](C)[C@@H]1CNC(=O)OC(C)(C)C ZINC000747967033 572956804 /nfs/dbraw/zinc/95/68/04/572956804.db2.gz HYYYHBDIDVUHCO-KBPBESRZSA-N 1 1 282.428 3.188 20 30 CGEDMO C=C(Br)C[N@H+](CCC)C[C@@H]1CCCCO1 ZINC000749290833 572991597 /nfs/dbraw/zinc/99/15/97/572991597.db2.gz CWPKQEODZKFLSF-LBPRGKRZSA-N 1 1 276.218 3.176 20 30 CGEDMO C=C(Br)C[N@@H+](CCC)C[C@@H]1CCCCO1 ZINC000749290833 572991598 /nfs/dbraw/zinc/99/15/98/572991598.db2.gz CWPKQEODZKFLSF-LBPRGKRZSA-N 1 1 276.218 3.176 20 30 CGEDMO C#CC[N@H+](CCC(=O)N(C)c1ccccc1)C1CCCCC1 ZINC000749513971 573015326 /nfs/dbraw/zinc/01/53/26/573015326.db2.gz HHSNEYQERMOXCS-UHFFFAOYSA-N 1 1 298.430 3.307 20 30 CGEDMO C#CC[N@@H+](CN1C(=O)[C@H]2CCCCC[C@@H]21)C1CCCCC1 ZINC000749946487 573066818 /nfs/dbraw/zinc/06/68/18/573066818.db2.gz OWQQRJRBSOIEGJ-IRXDYDNUSA-N 1 1 288.435 3.003 20 30 CGEDMO C#CC[N@H+](CN1C(=O)[C@H]2CCCCC[C@@H]21)C1CCCCC1 ZINC000749946487 573066822 /nfs/dbraw/zinc/06/68/22/573066822.db2.gz OWQQRJRBSOIEGJ-IRXDYDNUSA-N 1 1 288.435 3.003 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C2CC(C)(C)C2)C[C@H]1C ZINC000947278439 613266157 /nfs/dbraw/zinc/26/61/57/613266157.db2.gz ZCQDEGHGFPKJBN-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2=CCCC2)C[C@@H]1C ZINC000947191606 613270679 /nfs/dbraw/zinc/27/06/79/613270679.db2.gz VGIMRFRDSADUMM-HOCLYGCPSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2occc2C)C[C@@H]1C ZINC000947057192 613273589 /nfs/dbraw/zinc/27/35/89/613273589.db2.gz OGJNUCMYRUJVQV-GJZGRUSLSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)CC2CCCCCC2)C1 ZINC000972433246 613288446 /nfs/dbraw/zinc/28/84/46/613288446.db2.gz MPIHKSYIFRGMEZ-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CCC ZINC000969023290 613306205 /nfs/dbraw/zinc/30/62/05/613306205.db2.gz OYIBROXWTMLWFL-BRWVUGGUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC=CCC1 ZINC000968744096 613307201 /nfs/dbraw/zinc/30/72/01/613307201.db2.gz DAHFPFASYKFFMY-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)c2cc(Cl)cs2)CC1 ZINC000982080891 613311971 /nfs/dbraw/zinc/31/19/71/613311971.db2.gz DGZHPPXSZZFXLN-UHFFFAOYSA-N 1 1 298.839 3.126 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)c2cc(Cl)cs2)CC1 ZINC000982080891 613311972 /nfs/dbraw/zinc/31/19/72/613311972.db2.gz DGZHPPXSZZFXLN-UHFFFAOYSA-N 1 1 298.839 3.126 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)c2ccc(C)o2)CC1 ZINC000948164850 613314410 /nfs/dbraw/zinc/31/44/10/613314410.db2.gz HQXNBUCYNOVGLX-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](C2CCN(C(=O)CCC)CC2)C1 ZINC000961323292 613314636 /nfs/dbraw/zinc/31/46/36/613314636.db2.gz TWZDXCRDVIQDHI-KRWDZBQOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@]2(C)C=CCC2)CC1 ZINC000948680400 613315052 /nfs/dbraw/zinc/31/50/52/613315052.db2.gz HPIFTQJVTOKIEQ-FUHWJXTLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2sccc2C)C1 ZINC000964685451 613326286 /nfs/dbraw/zinc/32/62/86/613326286.db2.gz PECJYNNBBPURHN-TZMCWYRMSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2=CCCCCC2)C[C@@H]1C ZINC000947239643 613326857 /nfs/dbraw/zinc/32/68/57/613326857.db2.gz GLZQVXMRSKWAHF-DOTOQJQBSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C(C)=C2CCC2)C(C)(C)C1 ZINC000940741729 613326988 /nfs/dbraw/zinc/32/69/88/613326988.db2.gz VVFVTPJHSIVDST-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CC2CC(C)(C)C2)C[C@@H]1C ZINC000947649490 613327351 /nfs/dbraw/zinc/32/73/51/613327351.db2.gz QSFRISDTTBNLAA-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC2(C)C)C(C)(C)C1 ZINC000940965334 613328497 /nfs/dbraw/zinc/32/84/97/613328497.db2.gz OBUDWAMDNFXOCQ-LSDHHAIUSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)oc2C)C[C@@H]1C ZINC000947032928 613335753 /nfs/dbraw/zinc/33/57/53/613335753.db2.gz WFIGJXCQLGDJFY-WFASDCNBSA-N 1 1 290.407 3.055 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2occc2Cl)C[C@H]1C ZINC000947683394 613337393 /nfs/dbraw/zinc/33/73/93/613337393.db2.gz AHDBBYCENMGWTP-NEPJUHHUSA-N 1 1 296.798 3.092 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC2(C)C)C1 ZINC000972112407 613368411 /nfs/dbraw/zinc/36/84/11/613368411.db2.gz QDWKLHHCLLYGHH-KGLIPLIRSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC2(C)C)C1 ZINC000972112407 613368412 /nfs/dbraw/zinc/36/84/12/613368412.db2.gz QDWKLHHCLLYGHH-KGLIPLIRSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](N(C)C(=O)C=C2CCC2)CC1 ZINC000948286007 613374114 /nfs/dbraw/zinc/37/41/14/613374114.db2.gz JAOUHDVGTCIMRA-OAHLLOKOSA-N 1 1 296.842 3.162 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](N(C)C(=O)C2CC(C)C2)CC1 ZINC000948286812 613374187 /nfs/dbraw/zinc/37/41/87/613374187.db2.gz VVCYLHKIQOKOAX-PESDSKBTSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC2CCCC2)[C@H](C)C1 ZINC000941766995 613378319 /nfs/dbraw/zinc/37/83/19/613378319.db2.gz CHLUPKRELKQVCH-DOMZBBRYSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC2CCCC2)[C@H](C)C1 ZINC000941766995 613378320 /nfs/dbraw/zinc/37/83/20/613378320.db2.gz CHLUPKRELKQVCH-DOMZBBRYSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+](CC3CCC3)[C@@H](C)C2)C1 ZINC000947701938 613397448 /nfs/dbraw/zinc/39/74/48/613397448.db2.gz HKUNCNDWUHWIPS-GOEBONIOSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2C[N@@H+](CCC(C)C)CC[C@@H]2C)C1 ZINC000968275265 613399033 /nfs/dbraw/zinc/39/90/33/613399033.db2.gz QGRIJYBRVZNKBG-JKSUJKDBSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[N@@H+](CCC3CC3)CC2)CC1 ZINC000981872858 613403963 /nfs/dbraw/zinc/40/39/63/613403963.db2.gz AOVUXTYJBUJENI-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C1CCC(C(=O)N2CC3(C2)CCC[N@H+](C(C)C)C3)CC1 ZINC000981982896 613404368 /nfs/dbraw/zinc/40/43/68/613404368.db2.gz AFWHZZWSLPAHHB-UHFFFAOYSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC(C[N@H+](CC)C(C)C)CC1 ZINC000957737661 613429437 /nfs/dbraw/zinc/42/94/37/613429437.db2.gz SMDWXROXAFCRMX-UHFFFAOYSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@@H]([C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000961229366 613431966 /nfs/dbraw/zinc/43/19/66/613431966.db2.gz MBPYUMSSQDTGGV-CVEARBPZSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@H+]1CCCCC[C@H]1CNC(=O)c1cccs1 ZINC000968738723 613491209 /nfs/dbraw/zinc/49/12/09/613491209.db2.gz ZNIWNDNHIWZHHC-AWEZNQCLSA-N 1 1 292.448 3.299 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)c1coc(C)c1 ZINC000968821899 613491662 /nfs/dbraw/zinc/49/16/62/613491662.db2.gz JCUVWSHADQHKQA-INIZCTEOSA-N 1 1 290.407 3.139 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)s2)C[C@H]1C ZINC000946999892 613523964 /nfs/dbraw/zinc/52/39/64/613523964.db2.gz DITNSLVYYBRYPL-TZMCWYRMSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2sccc2C)C[C@H]1C ZINC000946997284 613528805 /nfs/dbraw/zinc/52/88/05/613528805.db2.gz UMDOEZWLDWFJMD-ZIAGYGMSSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C2=CCCCCC2)C1 ZINC000965945882 613528825 /nfs/dbraw/zinc/52/88/25/613528825.db2.gz CRCYGCQUQRJDNL-RDJZCZTQSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)C(C)=C2CCCC2)[C@H](C)C1 ZINC000941944150 613533475 /nfs/dbraw/zinc/53/34/75/613533475.db2.gz SEGIAOKBGGSMRK-PBHICJAKSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2(C3CC3)CCC2)C[C@@H]1C ZINC000947576854 613534426 /nfs/dbraw/zinc/53/44/26/613534426.db2.gz RYMXYUYKPYZRNL-HOCLYGCPSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)c2cc(C)cs2)[C@H](C)C1 ZINC000942030505 613537437 /nfs/dbraw/zinc/53/74/37/613537437.db2.gz YJMUOCDSUCUCFJ-KGLIPLIRSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)oc2C)C[C@H]1C ZINC000947031923 613537990 /nfs/dbraw/zinc/53/79/90/613537990.db2.gz IOMWGQFKUXFNPO-DOMZBBRYSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](F)CC2CCCCC2)C1 ZINC000972736513 613616438 /nfs/dbraw/zinc/61/64/38/613616438.db2.gz YXSIEODTMWOSSU-HZPDHXFCSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](F)CC2CCCCC2)C1 ZINC000972736511 613631257 /nfs/dbraw/zinc/63/12/57/613631257.db2.gz YXSIEODTMWOSSU-HOTGVXAUSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC[N@H+]1CCCC2(CN(C(=O)c3ccc(C=C)cc3)C2)C1 ZINC000982031109 613681955 /nfs/dbraw/zinc/68/19/55/613681955.db2.gz VKFMVTUXAGIJMP-UHFFFAOYSA-N 1 1 296.414 3.054 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)C2CCC(=C)CC2)CC1 ZINC000948746940 613700433 /nfs/dbraw/zinc/70/04/33/613700433.db2.gz LZTOFBMLZXTJLY-QGZVFWFLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC(C)(C)C)C1 ZINC000963251532 613702868 /nfs/dbraw/zinc/70/28/68/613702868.db2.gz QCQWNOOFEBFTOI-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(F)=C(C)C)C1 ZINC000963288130 613703545 /nfs/dbraw/zinc/70/35/45/613703545.db2.gz YGESDLSZENRFFC-LSDHHAIUSA-N 1 1 294.414 3.139 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(C)C(=O)C2CCC(=C)CC2)CC1 ZINC000948746938 613704054 /nfs/dbraw/zinc/70/40/54/613704054.db2.gz LZTOFBMLZXTJLY-KRWDZBQOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C2CCCCCCC2)C1 ZINC000967310074 613728047 /nfs/dbraw/zinc/72/80/47/613728047.db2.gz GQIQJOWACHXNRX-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2sccc2Cl)C1 ZINC000966262464 613732143 /nfs/dbraw/zinc/73/21/43/613732143.db2.gz KLPKJTODQUGCRS-PWSUYJOCSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2sccc2Cl)C1 ZINC000966262464 613732144 /nfs/dbraw/zinc/73/21/44/613732144.db2.gz KLPKJTODQUGCRS-PWSUYJOCSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000968609962 613734664 /nfs/dbraw/zinc/73/46/64/613734664.db2.gz MOMAWGQLJVOXCX-UKRRQHHQSA-N 1 1 298.386 3.059 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)C[C@H]2CC=CCC2)C(C)(C)C1 ZINC000940950463 613743410 /nfs/dbraw/zinc/74/34/10/613743410.db2.gz NSKVLMDJFWPURG-JKSUJKDBSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)C(C)(C)C1 ZINC000941172428 613746013 /nfs/dbraw/zinc/74/60/13/613746013.db2.gz BVHVOUWUSREQBF-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC2(C)C)C(C)(C)C1 ZINC000940960361 613746501 /nfs/dbraw/zinc/74/65/01/613746501.db2.gz FIEOLNRJXRBVKH-HUUCEWRRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C3CC3)c2)C[C@@H]1C ZINC000948078861 613754225 /nfs/dbraw/zinc/75/42/25/613754225.db2.gz PICJWNZVPNUQMC-KBXCAEBGSA-N 1 1 298.430 3.333 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC)C[C@H]1C ZINC000947667920 613792055 /nfs/dbraw/zinc/79/20/55/613792055.db2.gz UCVDRKSNKLWGQL-ZBFHGGJFSA-N 1 1 286.419 3.018 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC(C)(C)C)C2)C1 ZINC000961089331 613804933 /nfs/dbraw/zinc/80/49/33/613804933.db2.gz FRNSJTGIUCWCJB-CVEARBPZSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2ccc3occc3c2)C(C)(C)C1 ZINC000974613248 613810798 /nfs/dbraw/zinc/81/07/98/613810798.db2.gz PZBHXDGMENODOV-MRXNPFEDSA-N 1 1 298.386 3.059 20 30 CGEDMO CCC[N@H+](Cc1nc(C#N)cs1)Cc1ccccc1O ZINC000811459711 617622454 /nfs/dbraw/zinc/62/24/54/617622454.db2.gz LNBKKQCVILFPRM-UHFFFAOYSA-N 1 1 287.388 3.133 20 30 CGEDMO CCC[N@@H+](Cc1nc(C#N)cs1)Cc1ccccc1O ZINC000811459711 617622463 /nfs/dbraw/zinc/62/24/63/617622463.db2.gz LNBKKQCVILFPRM-UHFFFAOYSA-N 1 1 287.388 3.133 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccc(F)c(F)c2)no1 ZINC000899997832 620744007 /nfs/dbraw/zinc/74/40/07/620744007.db2.gz JUMDVLBQFBCQSB-GFCCVEGCSA-N 1 1 279.290 3.371 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C=C(C)C)C1 ZINC001021510797 618017972 /nfs/dbraw/zinc/01/79/72/618017972.db2.gz KQRULJXKCRCAPV-GJZGRUSLSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC(C)(C)C)C1 ZINC001021524044 618020697 /nfs/dbraw/zinc/02/06/97/618020697.db2.gz VJOHPMUKGYWNFS-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(OC)c(Cl)c2)C1 ZINC000847022191 618169876 /nfs/dbraw/zinc/16/98/76/618169876.db2.gz SPQNDTFSIFAYMK-LBPRGKRZSA-N 1 1 263.768 3.194 20 30 CGEDMO C#CC[N@@H+](C[C@@H]1CCOC1)[C@H]1CCCc2ccccc21 ZINC000933418455 618228826 /nfs/dbraw/zinc/22/88/26/618228826.db2.gz JVDDQMYNVKAHGC-YJBOKZPZSA-N 1 1 269.388 3.036 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC000891479317 618230653 /nfs/dbraw/zinc/23/06/53/618230653.db2.gz JEAZQHSUHZQCSZ-SNVBAGLBSA-N 1 1 274.311 3.394 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)cs1 ZINC000891479317 618230654 /nfs/dbraw/zinc/23/06/54/618230654.db2.gz JEAZQHSUHZQCSZ-SNVBAGLBSA-N 1 1 274.311 3.394 20 30 CGEDMO COc1ccccc1CC[N@@H+](C)Cc1csc(C#N)c1 ZINC000891945330 618399313 /nfs/dbraw/zinc/39/93/13/618399313.db2.gz TWHNUVOQDKMAIC-UHFFFAOYSA-N 1 1 286.400 3.303 20 30 CGEDMO C[NH+](C)CCCC1CCN(Cc2csc(C#N)c2)CC1 ZINC000892120112 618542296 /nfs/dbraw/zinc/54/22/96/618542296.db2.gz KTBKFAPSCKKIPW-UHFFFAOYSA-N 1 1 291.464 3.174 20 30 CGEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2csc(C#N)c2)C12CCC2 ZINC000892230028 618608780 /nfs/dbraw/zinc/60/87/80/618608780.db2.gz VLUXRHFZQJBWLL-HUUCEWRRSA-N 1 1 290.432 3.399 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1ccc(OCC(F)(F)F)nc1 ZINC000934458680 618622864 /nfs/dbraw/zinc/62/28/64/618622864.db2.gz BYSYWSHVGQLJFP-LBPRGKRZSA-N 1 1 286.297 3.173 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1nc2sc(C)c(C)c2c(N)n1 ZINC000934462605 618624432 /nfs/dbraw/zinc/62/44/32/618624432.db2.gz YUGAPUKWIAKLKQ-LLVKDONJSA-N 1 1 288.420 3.041 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1nc2sc(C)c(C)c2c(N)n1 ZINC000934462605 618624437 /nfs/dbraw/zinc/62/44/37/618624437.db2.gz YUGAPUKWIAKLKQ-LLVKDONJSA-N 1 1 288.420 3.041 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1CCCc1nc(-c2cccs2)no1 ZINC000934472444 618628531 /nfs/dbraw/zinc/62/85/31/618628531.db2.gz QUCYTQKIVHLVJK-LBPRGKRZSA-N 1 1 289.404 3.381 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1cccc(Cl)n1 ZINC000091439247 618666107 /nfs/dbraw/zinc/66/61/07/618666107.db2.gz GWAMDJXFSLFUPE-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cccc(Cl)n1 ZINC000091439247 618666109 /nfs/dbraw/zinc/66/61/09/618666109.db2.gz GWAMDJXFSLFUPE-UHFFFAOYSA-N 1 1 271.751 3.239 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000156763228 618713972 /nfs/dbraw/zinc/71/39/72/618713972.db2.gz CYGLQNKNUNFSGK-HUUCEWRRSA-N 1 1 294.439 3.025 20 30 CGEDMO C#Cc1cccc(C[NH2+][C@@H](C)c2cn3c(n2)CCCC3)c1 ZINC000926549205 618734014 /nfs/dbraw/zinc/73/40/14/618734014.db2.gz DVIYKWQEBFYIJV-AWEZNQCLSA-N 1 1 279.387 3.052 20 30 CGEDMO C=CC[C@H]([NH2+]Cc1nccn1C1CC1)c1ccncc1 ZINC000892971876 618966976 /nfs/dbraw/zinc/96/69/76/618966976.db2.gz FKABDGUWQLXMHB-HNNXBMFYSA-N 1 1 268.364 3.020 20 30 CGEDMO C=C(Br)CNc1[nH+]c2ccc(F)cc2n1C ZINC000309841110 618992859 /nfs/dbraw/zinc/99/28/59/618992859.db2.gz PFGLETQAJJWAGZ-UHFFFAOYSA-N 1 1 284.132 3.033 20 30 CGEDMO Cc1cc(F)c(C#N)c(N[C@@H](C)C2=CC[N@@H+](C)CC2)c1 ZINC000893116996 618999178 /nfs/dbraw/zinc/99/91/78/618999178.db2.gz NSJICKRPHAAJRQ-LBPRGKRZSA-N 1 1 273.355 3.068 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC)s2)C1 ZINC001007844488 619024346 /nfs/dbraw/zinc/02/43/46/619024346.db2.gz KIYVFPOPKLDHSD-ZDUSSCGKSA-N 1 1 292.448 3.081 20 30 CGEDMO COc1cc(C[N@H+]2CCC3(CCCC3)C2)ccc1C#N ZINC000312348578 619066061 /nfs/dbraw/zinc/06/60/61/619066061.db2.gz MGRMPZQLWPNKKK-UHFFFAOYSA-N 1 1 270.376 3.333 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](CC(CC)CC)C2)C1 ZINC001008462170 619103331 /nfs/dbraw/zinc/10/33/31/619103331.db2.gz BLHSILPBFGMIHJ-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1cn2ccnc2s1 ZINC000893419007 619170274 /nfs/dbraw/zinc/17/02/74/619170274.db2.gz BKCDPOZYAICOMY-UHFFFAOYSA-N 1 1 287.388 3.220 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2cccc(C3CC3)c2)C1 ZINC001009651051 619183606 /nfs/dbraw/zinc/18/36/06/619183606.db2.gz YIEGQYWGMOSLJE-GOSISDBHSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001009663956 619184532 /nfs/dbraw/zinc/18/45/32/619184532.db2.gz VLXPEARTHXVBFF-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)c1 ZINC000931753048 619248793 /nfs/dbraw/zinc/24/87/93/619248793.db2.gz PEHSVLPWLQHTIM-HOCLYGCPSA-N 1 1 290.794 3.213 20 30 CGEDMO CC[N@H+](CCC#N)Cc1c(C)cc(C)c(COC)c1C ZINC000893923122 619333753 /nfs/dbraw/zinc/33/37/53/619333753.db2.gz IOEHDFRWGSBUSW-UHFFFAOYSA-N 1 1 274.408 3.494 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1c(C)cc(C)c(COC)c1C ZINC000893923122 619333754 /nfs/dbraw/zinc/33/37/54/619333754.db2.gz IOEHDFRWGSBUSW-UHFFFAOYSA-N 1 1 274.408 3.494 20 30 CGEDMO CC[N@@H+](CCCOc1ccc(C#N)cc1)CC(C)C ZINC000034674648 619376211 /nfs/dbraw/zinc/37/62/11/619376211.db2.gz AHAPORBVYVSMCQ-UHFFFAOYSA-N 1 1 260.381 3.305 20 30 CGEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNCc2ccc(C#N)cc2)C1 ZINC000067222401 619395527 /nfs/dbraw/zinc/39/55/27/619395527.db2.gz YLVFYEFWYLQFIJ-OAHLLOKOSA-N 1 1 285.435 3.158 20 30 CGEDMO C[C@@H]1CCCN(C(C)(C)C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000067222401 619395531 /nfs/dbraw/zinc/39/55/31/619395531.db2.gz YLVFYEFWYLQFIJ-OAHLLOKOSA-N 1 1 285.435 3.158 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@H+](CC)C2CC2)c1O ZINC000178849413 619402876 /nfs/dbraw/zinc/40/28/76/619402876.db2.gz WWUHOJZEMKIOKZ-UHFFFAOYSA-N 1 1 261.365 3.114 20 30 CGEDMO C[C@@H]([NH2+]CCCCC#N)C(F)(F)c1ccccc1 ZINC000924940899 619454109 /nfs/dbraw/zinc/45/41/09/619454109.db2.gz BIZDWSCAWWUDGQ-GFCCVEGCSA-N 1 1 252.308 3.450 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H]2c2cccnc2)cs1 ZINC000894449725 619538322 /nfs/dbraw/zinc/53/83/22/619538322.db2.gz OSGMGJNUXQSXLX-OAHLLOKOSA-N 1 1 269.373 3.352 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]2c2cccnc2)cs1 ZINC000894449725 619538326 /nfs/dbraw/zinc/53/83/26/619538326.db2.gz OSGMGJNUXQSXLX-OAHLLOKOSA-N 1 1 269.373 3.352 20 30 CGEDMO COCc1c(C)cc(C)c(C[NH2+]C[C@H](C)C#N)c1C ZINC000894452228 619542705 /nfs/dbraw/zinc/54/27/05/619542705.db2.gz APCDODJCHNKNPN-LLVKDONJSA-N 1 1 260.381 3.008 20 30 CGEDMO CC1(C)C[N@H+](Cc2csc(C#N)c2)[C@@H]1[C@@H]1CCCO1 ZINC000894535988 619567257 /nfs/dbraw/zinc/56/72/57/619567257.db2.gz PERPEMUESVHFLM-UONOGXRCSA-N 1 1 276.405 3.009 20 30 CGEDMO CC1(C)C[N@@H+](Cc2csc(C#N)c2)[C@@H]1[C@@H]1CCCO1 ZINC000894535988 619567259 /nfs/dbraw/zinc/56/72/59/619567259.db2.gz PERPEMUESVHFLM-UONOGXRCSA-N 1 1 276.405 3.009 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cs1 ZINC000894553626 619574503 /nfs/dbraw/zinc/57/45/03/619574503.db2.gz RSOTXQDMZYSCBC-GJZGRUSLSA-N 1 1 288.416 3.153 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)cs1 ZINC000894553626 619574504 /nfs/dbraw/zinc/57/45/04/619574504.db2.gz RSOTXQDMZYSCBC-GJZGRUSLSA-N 1 1 288.416 3.153 20 30 CGEDMO C=CCn1c(C)nn(C[N@@H+](CC)[C@@H](C)C(C)C)c1=S ZINC000067366735 619674235 /nfs/dbraw/zinc/67/42/35/619674235.db2.gz VVTNTEFWBWPKRE-LBPRGKRZSA-N 1 1 282.457 3.232 20 30 CGEDMO C=CCn1c(C)nn(C[N@H+](CC)[C@@H](C)C(C)C)c1=S ZINC000067366735 619674237 /nfs/dbraw/zinc/67/42/37/619674237.db2.gz VVTNTEFWBWPKRE-LBPRGKRZSA-N 1 1 282.457 3.232 20 30 CGEDMO CCn1cc(C[NH2+]CC2(C#N)CCC2)c(-c2ccccc2)n1 ZINC000895025070 619698635 /nfs/dbraw/zinc/69/86/35/619698635.db2.gz HJWMREUNASTVFA-UHFFFAOYSA-N 1 1 294.402 3.353 20 30 CGEDMO CC(C)O[C@H]1CCC[N@@H+](Cc2csc(C#N)c2)C1 ZINC000895145188 619753538 /nfs/dbraw/zinc/75/35/38/619753538.db2.gz RRONIRJXZRZGEM-ZDUSSCGKSA-N 1 1 264.394 3.009 20 30 CGEDMO CC(C)Cc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cn1 ZINC000895313317 619804227 /nfs/dbraw/zinc/80/42/27/619804227.db2.gz FWGLBVWZRQGNLF-HNNXBMFYSA-N 1 1 271.408 3.406 20 30 CGEDMO CC(C)c1c[nH]c(C[N@H+](C)CCc2cccc(C#N)c2)n1 ZINC000895452055 619832337 /nfs/dbraw/zinc/83/23/37/619832337.db2.gz PFVQXDIYCANONX-UHFFFAOYSA-N 1 1 282.391 3.079 20 30 CGEDMO CC(C)c1c[nH]c(C[N@@H+](C)CCc2cccc(C#N)c2)n1 ZINC000895452055 619832341 /nfs/dbraw/zinc/83/23/41/619832341.db2.gz PFVQXDIYCANONX-UHFFFAOYSA-N 1 1 282.391 3.079 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H](CF)C2)cc1OC ZINC000895575997 619852946 /nfs/dbraw/zinc/85/29/46/619852946.db2.gz WRMXUZKFVATCAY-AWEZNQCLSA-N 1 1 279.355 3.051 20 30 CGEDMO COC1CCC(C[N@H+]2CCc3c(CC#N)cccc3C2)CC1 ZINC000895668142 619868981 /nfs/dbraw/zinc/86/89/81/619868981.db2.gz YBQKEJVQNJIVGO-UHFFFAOYSA-N 1 1 298.430 3.316 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000896503983 620018568 /nfs/dbraw/zinc/01/85/68/620018568.db2.gz QOBKVHQSXYYPHB-MRXNPFEDSA-N 1 1 277.371 3.484 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000896503983 620018570 /nfs/dbraw/zinc/01/85/70/620018570.db2.gz QOBKVHQSXYYPHB-MRXNPFEDSA-N 1 1 277.371 3.484 20 30 CGEDMO N#Cc1ccc(N[C@@H]2CCC[N@@H+](Cc3ccsc3)C2)nc1 ZINC000896660820 620042404 /nfs/dbraw/zinc/04/24/04/620042404.db2.gz VBCJECWQVZRCOC-OAHLLOKOSA-N 1 1 298.415 3.091 20 30 CGEDMO CCOc1ccc(O)c(/C=N\CCCC[N@@H+](C)C2CC2)c1 ZINC000840711665 620139960 /nfs/dbraw/zinc/13/99/60/620139960.db2.gz YKOLEGNWYRQUBP-AQTBWJFISA-N 1 1 290.407 3.084 20 30 CGEDMO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000897154125 620152326 /nfs/dbraw/zinc/15/23/26/620152326.db2.gz MAFNWZUDMHSCOT-JKSUJKDBSA-N 1 1 299.418 3.020 20 30 CGEDMO CC(C)(C)[N@H+]1CC[C@H]1C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000897154120 620152628 /nfs/dbraw/zinc/15/26/28/620152628.db2.gz MAFNWZUDMHSCOT-CVEARBPZSA-N 1 1 299.418 3.020 20 30 CGEDMO C[C@@H](c1ccccn1)[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC000179146524 620349717 /nfs/dbraw/zinc/34/97/17/620349717.db2.gz IWNFFERDDINETC-HNNXBMFYSA-N 1 1 295.386 3.415 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)cs1)CC(C)(C)CCC#N ZINC000897626255 620412590 /nfs/dbraw/zinc/41/25/90/620412590.db2.gz VXZLYRFSOQDHQR-UHFFFAOYSA-N 1 1 261.394 3.382 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1cnc2nc(C)cc(C)n12 ZINC000898245993 620496808 /nfs/dbraw/zinc/49/68/08/620496808.db2.gz LEPRSAKMMQCZBG-UHFFFAOYSA-N 1 1 272.396 3.134 20 30 CGEDMO N#Cc1cnc(Cl)c(C[NH2+][C@@H](c2ccncc2)C2CC2)c1 ZINC000898322029 620506337 /nfs/dbraw/zinc/50/63/37/620506337.db2.gz XIGQIVWBJDBKBO-OAHLLOKOSA-N 1 1 298.777 3.243 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000929162114 620518060 /nfs/dbraw/zinc/51/80/60/620518060.db2.gz HRBDCMLBPZFLRH-KGLIPLIRSA-N 1 1 298.308 3.100 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)[C@H]2CCCC(C)(C)C2)CC1 ZINC000989758089 620523640 /nfs/dbraw/zinc/52/36/40/620523640.db2.gz GKASZBMKLDICLI-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)c2ccoc2C(C)C)CC1 ZINC000989767940 620523843 /nfs/dbraw/zinc/52/38/43/620523843.db2.gz QGGQPMGJUKJGLO-UHFFFAOYSA-N 1 1 290.407 3.127 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)C3CCCC3)CCC[C@@H]12 ZINC000989897452 620529787 /nfs/dbraw/zinc/52/97/87/620529787.db2.gz TUKNHFOPCJEVBY-ZBFHGGJFSA-N 1 1 296.842 3.042 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)C3CCCC3)CCC[C@@H]12 ZINC000989897452 620529790 /nfs/dbraw/zinc/52/97/90/620529790.db2.gz TUKNHFOPCJEVBY-ZBFHGGJFSA-N 1 1 296.842 3.042 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)[C@H](C)c2cccnc2)cc1 ZINC000787775862 620543905 /nfs/dbraw/zinc/54/39/05/620543905.db2.gz LZGAMYPCJUHYIW-CQSZACIVSA-N 1 1 250.345 3.256 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(CCC)s2)C1 ZINC001014588983 620554900 /nfs/dbraw/zinc/55/49/00/620554900.db2.gz TWLVISJFIYSVSB-ZDUSSCGKSA-N 1 1 292.448 3.081 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)C(C)=C3CCC3)CCC[C@H]12 ZINC000990616214 620557758 /nfs/dbraw/zinc/55/77/58/620557758.db2.gz RLAMRJHDDBWZAN-FUHWJXTLSA-N 1 1 288.435 3.176 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)O[C@@H](C)c1cccc(C#N)c1 ZINC000923889754 620564380 /nfs/dbraw/zinc/56/43/80/620564380.db2.gz VTYSEAVFCFTKTB-XJKSGUPXSA-N 1 1 286.375 3.035 20 30 CGEDMO CC(C)(CCC#N)C[NH2+]CC(F)(F)C1(O)CCCCC1 ZINC000898526684 620595820 /nfs/dbraw/zinc/59/58/20/620595820.db2.gz WIRIDXCKRSLSHK-UHFFFAOYSA-N 1 1 288.382 3.236 20 30 CGEDMO C#CCCCCCCO[NH+]=C(N)CCC(F)(F)F ZINC000902773602 621435126 /nfs/dbraw/zinc/43/51/26/621435126.db2.gz HLMLUDOMRSHTQT-UHFFFAOYSA-N 1 1 264.291 3.411 20 30 CGEDMO C[C@H]([NH2+][C@@H]1CCOc2ccc(F)cc21)c1cc(C#N)ccn1 ZINC000902860067 621478469 /nfs/dbraw/zinc/47/84/69/621478469.db2.gz OCUKMVIUHKIZSA-XHDPSFHLSA-N 1 1 297.333 3.267 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CCC1)c1ccc(Br)nc1 ZINC000903035411 621537569 /nfs/dbraw/zinc/53/75/69/621537569.db2.gz OQMWDJKAGQSIKX-SNVBAGLBSA-N 1 1 294.196 3.189 20 30 CGEDMO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC(C)(C)C#N ZINC000903100561 621572775 /nfs/dbraw/zinc/57/27/75/621572775.db2.gz TXZHOAHWNQJIQS-AWEZNQCLSA-N 1 1 258.365 3.348 20 30 CGEDMO CC(C)(C#N)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000903102170 621575463 /nfs/dbraw/zinc/57/54/63/621575463.db2.gz SXCUIPKXWZFRKS-CQSZACIVSA-N 1 1 287.363 3.457 20 30 CGEDMO N#CC1(C[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000903105831 621578588 /nfs/dbraw/zinc/57/85/88/621578588.db2.gz HZUCIIQRDKDUIX-CYBMUJFWSA-N 1 1 296.292 3.466 20 30 CGEDMO N#CC1(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000903106571 621580485 /nfs/dbraw/zinc/58/04/85/621580485.db2.gz RMVKOJIFABDZHW-MRXNPFEDSA-N 1 1 282.387 3.282 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000903107682 621581317 /nfs/dbraw/zinc/58/13/17/621581317.db2.gz BHNNPZQSFFJNOQ-GFCCVEGCSA-N 1 1 273.336 3.329 20 30 CGEDMO N#CC1(C[NH2+][C@H]2CCCc3c(O)cccc32)CCCC1 ZINC000903110029 621583507 /nfs/dbraw/zinc/58/35/07/621583507.db2.gz ZCQQHZJNFGEZIE-HNNXBMFYSA-N 1 1 270.376 3.443 20 30 CGEDMO N#CC1(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCCCC1 ZINC000903199393 621623798 /nfs/dbraw/zinc/62/37/98/621623798.db2.gz CEASPWWOIYJVFY-ZXFUBFMLSA-N 1 1 287.451 3.208 20 30 CGEDMO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1nc3c(s1)CCC3)CC2 ZINC000903191330 621628274 /nfs/dbraw/zinc/62/82/74/621628274.db2.gz TXOAGUPZTZBAHB-CQSZACIVSA-N 1 1 295.411 3.281 20 30 CGEDMO C[N@H+]1CC[C@H](Nc2ccc(CCC#N)cc2)[C@H]2CCC[C@H]21 ZINC000903294958 621664414 /nfs/dbraw/zinc/66/44/14/621664414.db2.gz ZZHAZYIPJASPKV-FGTMMUONSA-N 1 1 283.419 3.427 20 30 CGEDMO N#CC1(CCCCN[C@@H]2CC[NH2+]C23CCCC3)CCC1 ZINC000903784218 621807731 /nfs/dbraw/zinc/80/77/31/621807731.db2.gz LWIIYJUVWMACDI-OAHLLOKOSA-N 1 1 275.440 3.115 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(Cc2ccccc2F)no1 ZINC000904514362 621929141 /nfs/dbraw/zinc/92/91/41/621929141.db2.gz MQSJJDYBXYSPEJ-ZDUSSCGKSA-N 1 1 275.327 3.156 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc(Cc2cccc(OC)c2)no1 ZINC000904552835 621933868 /nfs/dbraw/zinc/93/38/68/621933868.db2.gz SAYXRCOERRKQOI-CQSZACIVSA-N 1 1 287.363 3.025 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(C2Cc3ccccc3C2)no1 ZINC000904593100 621941747 /nfs/dbraw/zinc/94/17/47/621941747.db2.gz HXZLVWMRWZLWAZ-HNNXBMFYSA-N 1 1 283.375 3.308 20 30 CGEDMO C=CCCC[C@@H]([NH3+])c1nc([C@@H](C)SCC)no1 ZINC000904629419 621948732 /nfs/dbraw/zinc/94/87/32/621948732.db2.gz VRZSCWQIGKNNBU-NXEZZACHSA-N 1 1 255.387 3.240 20 30 CGEDMO C=CCC(C)(C)c1noc([C@H]([NH3+])C[C@@H](C)CC)n1 ZINC000904725588 621959426 /nfs/dbraw/zinc/95/94/26/621959426.db2.gz ZRZGRQDSRDELEY-WDEREUQCSA-N 1 1 251.374 3.359 20 30 CGEDMO Cc1ccc2c(c1)[nH+]c(C)cc2OCCO[C@@H](C)C#N ZINC000802735819 622350536 /nfs/dbraw/zinc/35/05/36/622350536.db2.gz SUFFYWMFYDHIAT-ZDUSSCGKSA-N 1 1 270.332 3.159 20 30 CGEDMO COc1cc(C)c(C[N@H+](CCC#N)CC(C)C)cc1OC ZINC000755669152 625579379 /nfs/dbraw/zinc/57/93/79/625579379.db2.gz DVINGAVXLHTCFV-UHFFFAOYSA-N 1 1 290.407 3.384 20 30 CGEDMO COc1cc(C)c(C[N@@H+](CCC#N)CC(C)C)cc1OC ZINC000755669152 625579392 /nfs/dbraw/zinc/57/93/92/625579392.db2.gz DVINGAVXLHTCFV-UHFFFAOYSA-N 1 1 290.407 3.384 20 30 CGEDMO C=CCC1(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CCCC1 ZINC000912524169 622675594 /nfs/dbraw/zinc/67/55/94/622675594.db2.gz XOLBOWSTBRFTKX-LSDHHAIUSA-N 1 1 276.424 3.008 20 30 CGEDMO C[C@@H]([N@@H+](C)Cc1cc(C#N)cnc1Cl)C(C)(C)C ZINC000876598911 622792005 /nfs/dbraw/zinc/79/20/05/622792005.db2.gz RLNOPJWQYZATFB-SNVBAGLBSA-N 1 1 265.788 3.473 20 30 CGEDMO C=CCc1cc(C[N@H+](C)CCCC)c(O)c(OC)c1 ZINC000163910456 622807439 /nfs/dbraw/zinc/80/74/39/622807439.db2.gz PCIDVQUSBMHJRC-UHFFFAOYSA-N 1 1 263.381 3.361 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@H+]2CCC[C@H]2C)c1O ZINC000164431362 622834588 /nfs/dbraw/zinc/83/45/88/622834588.db2.gz FAAQAZVBTQARRW-GFCCVEGCSA-N 1 1 261.365 3.114 20 30 CGEDMO CC[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C[C@H](C)C#N ZINC000171065545 623130412 /nfs/dbraw/zinc/13/04/12/623130412.db2.gz LVOCMSCWKYJTSB-GFCCVEGCSA-N 1 1 290.407 3.377 20 30 CGEDMO CC[N@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C[C@H](C)C#N ZINC000171065545 623130420 /nfs/dbraw/zinc/13/04/20/623130420.db2.gz LVOCMSCWKYJTSB-GFCCVEGCSA-N 1 1 290.407 3.377 20 30 CGEDMO Cc1csc(C[NH2+]Cc2c(C)cc(C#N)cc2C)n1 ZINC000921522127 625631674 /nfs/dbraw/zinc/63/16/74/625631674.db2.gz YBFPZNKWIIVOHZ-UHFFFAOYSA-N 1 1 271.389 3.230 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cn1cc[nH]c1=S ZINC000173328617 623318650 /nfs/dbraw/zinc/31/86/50/623318650.db2.gz WOMZCVJOZUYMCN-UHFFFAOYSA-N 1 1 286.404 3.285 20 30 CGEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)Cn1cc[nH]c1=S ZINC000173328617 623318658 /nfs/dbraw/zinc/31/86/58/623318658.db2.gz WOMZCVJOZUYMCN-UHFFFAOYSA-N 1 1 286.404 3.285 20 30 CGEDMO CCc1ccccc1N=NC1C[N@H+](C2CC2)C[C@H]1C ZINC000755892872 625643530 /nfs/dbraw/zinc/64/35/30/625643530.db2.gz MFTPNZJVCOXIAG-GFCCVEGCSA-N 1 1 257.381 3.131 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)C[C@@H]3CC=CCC3)CCC[C@@H]12 ZINC000992121290 623440499 /nfs/dbraw/zinc/44/04/99/623440499.db2.gz TVMGXVFJMRTZPH-JFIYKMOQSA-N 1 1 288.435 3.032 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)C3CCC(=C)CC3)CCC[C@H]12 ZINC000992151150 623450340 /nfs/dbraw/zinc/45/03/40/623450340.db2.gz KIFBKJLZUBDAIN-FUHWJXTLSA-N 1 1 288.435 3.032 20 30 CGEDMO COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1cncc(C#N)c1 ZINC000929725241 623531945 /nfs/dbraw/zinc/53/19/45/623531945.db2.gz HDDNQNHBOHAUOE-CQSZACIVSA-N 1 1 295.386 3.025 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(CC)cc3)CCC[C@@H]12 ZINC000992484349 623596648 /nfs/dbraw/zinc/59/66/48/623596648.db2.gz DYKQVFWWJACWQR-MJGOQNOKSA-N 1 1 298.430 3.162 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C2CCCC2)[C@H]1C ZINC000992945645 623754133 /nfs/dbraw/zinc/75/41/33/623754133.db2.gz MZSPGKQCKKLXLT-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C)[C@H]1C ZINC000992989743 623774235 /nfs/dbraw/zinc/77/42/35/623774235.db2.gz SEHNIZUWJOXODP-NVXWUHKLSA-N 1 1 286.419 3.154 20 30 CGEDMO C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CCC(C)(C)CC1 ZINC000094859607 623779896 /nfs/dbraw/zinc/77/98/96/623779896.db2.gz JWCRDAFXIKOLSZ-QGZVFWFLSA-N 1 1 286.419 3.492 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C=C2CCCCC2)[C@H]1C ZINC000993110524 623843533 /nfs/dbraw/zinc/84/35/33/623843533.db2.gz UBPPXSLANTZCGH-NVXWUHKLSA-N 1 1 290.451 3.422 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CC1(Cl)Cl ZINC000914799248 623861897 /nfs/dbraw/zinc/86/18/97/623861897.db2.gz QCRMQKSZIWDGEN-GFCCVEGCSA-N 1 1 269.175 3.184 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)CC2CCC2)[C@H]1C ZINC000993193579 623930849 /nfs/dbraw/zinc/93/08/49/623930849.db2.gz BCIIXZANWQTXEX-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C2CC(C)(C)C2)[C@H]1C ZINC000993323609 624023402 /nfs/dbraw/zinc/02/34/02/624023402.db2.gz FYEJPNWNFVRTHT-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2csc(C)c2C)[C@@H]1C ZINC000993369184 624037727 /nfs/dbraw/zinc/03/77/27/624037727.db2.gz RMWVYZXMDHJBIY-SWLSCSKDSA-N 1 1 292.448 3.134 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C2(C3CC3)CC2)[C@H]1C ZINC000993471430 624052626 /nfs/dbraw/zinc/05/26/26/624052626.db2.gz CYXKLRBCUGETSO-GDBMZVCRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)co2)[C@@H]1C ZINC000993710697 624057129 /nfs/dbraw/zinc/05/71/29/624057129.db2.gz VFAOAGPFWCGUHU-LSDHHAIUSA-N 1 1 290.407 3.137 20 30 CGEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CCCC)[C@@H]2C)cc1 ZINC000993673711 624057682 /nfs/dbraw/zinc/05/76/82/624057682.db2.gz RJYUMHZSXZSMDF-QAPCUYQASA-N 1 1 298.430 3.051 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C2CC2)[C@@H]1C ZINC000993713171 624058715 /nfs/dbraw/zinc/05/87/15/624058715.db2.gz CEIHUBRSLZEMDA-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C2CCC(=C)CC2)[C@H]1C ZINC000993740477 624060030 /nfs/dbraw/zinc/06/00/30/624060030.db2.gz ITHFNSOYYYUBQO-NVXWUHKLSA-N 1 1 290.451 3.278 20 30 CGEDMO C#CC[N@H+](C[C@H](O)c1ccccc1)[C@@H]1CCc2ccccc21 ZINC000917117178 624242335 /nfs/dbraw/zinc/24/23/35/624242335.db2.gz DWSWDJLFVBIYBQ-UXHICEINSA-N 1 1 291.394 3.343 20 30 CGEDMO C=CCN(C(=O)NCCC[N@@H+](C)C1CCCCC1)C(C)C ZINC000918066053 624331635 /nfs/dbraw/zinc/33/16/35/624331635.db2.gz ZZMYPXQMVNLYFB-UHFFFAOYSA-N 1 1 295.471 3.247 20 30 CGEDMO C=CCN(C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)C(C)C ZINC000918067563 624331698 /nfs/dbraw/zinc/33/16/98/624331698.db2.gz NAGNEZODSCVKFT-MRXNPFEDSA-N 1 1 295.471 3.105 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](C(=O)NCCCCCC)C1 ZINC000154760761 624364117 /nfs/dbraw/zinc/36/41/17/624364117.db2.gz SYLPQFKHDDMHEN-CQSZACIVSA-N 1 1 286.847 3.147 20 30 CGEDMO CCCCCCCCCN(C)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000920813228 624543672 /nfs/dbraw/zinc/54/36/72/624543672.db2.gz DDFURTRJOPQHIL-MRXNPFEDSA-N 1 1 297.487 3.473 20 30 CGEDMO CC[C@](C)([NH2+]Cc1csc(C#N)c1)c1nccs1 ZINC000921768241 625869906 /nfs/dbraw/zinc/86/99/06/625869906.db2.gz FSZYBFMLYPMSTI-ZDUSSCGKSA-N 1 1 277.418 3.491 20 30 CGEDMO CC[C@@](C)([NH2+]Cc1csc(C#N)c1)c1nccs1 ZINC000921768234 625869988 /nfs/dbraw/zinc/86/99/88/625869988.db2.gz FSZYBFMLYPMSTI-CYBMUJFWSA-N 1 1 277.418 3.491 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000921818568 625888998 /nfs/dbraw/zinc/88/89/98/625888998.db2.gz QCUOCPVLMSJKMB-SJORKVTESA-N 1 1 285.435 3.138 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000064248235 625930627 /nfs/dbraw/zinc/93/06/27/625930627.db2.gz LRRZIHJHCWQCNP-UHFFFAOYSA-N 1 1 278.330 3.333 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000064248235 625930628 /nfs/dbraw/zinc/93/06/28/625930628.db2.gz LRRZIHJHCWQCNP-UHFFFAOYSA-N 1 1 278.330 3.333 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)C[C@H]2CC=CCC2)CC1 ZINC001003442798 625979547 /nfs/dbraw/zinc/97/95/47/625979547.db2.gz DQQKJQKOBCPOFY-AWEZNQCLSA-N 1 1 296.842 3.066 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H](C)c1cscn1 ZINC000922242813 625988891 /nfs/dbraw/zinc/98/88/91/625988891.db2.gz WVOIOSBJEKBTHI-LBPRGKRZSA-N 1 1 271.389 3.482 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)F)CC1 ZINC001004324646 626038748 /nfs/dbraw/zinc/03/87/48/626038748.db2.gz IGTHOYKBSJBDMU-HNNXBMFYSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H]1C1CCN(C(=O)CC2CC2)CC1 ZINC001004324956 626038915 /nfs/dbraw/zinc/03/89/15/626038915.db2.gz JKFRLMLFLHDBRR-KRWDZBQOSA-N 1 1 290.451 3.066 20 30 CGEDMO C[C@@]1([NH2+]Cc2ccc(C#N)cc2F)CCOc2ccccc21 ZINC000923023851 626120510 /nfs/dbraw/zinc/12/05/10/626120510.db2.gz DRDGEWJJXLAQHW-GOSISDBHSA-N 1 1 296.345 3.485 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000839088245 626312782 /nfs/dbraw/zinc/31/27/82/626312782.db2.gz AYMCSDZYSQWBSC-KBPBESRZSA-N 1 1 282.428 3.045 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000839087176 626312838 /nfs/dbraw/zinc/31/28/38/626312838.db2.gz BTRYFPOOXGLYLR-KBPBESRZSA-N 1 1 282.428 3.045 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCCC[C@@H]2COCC)cc1 ZINC000839175034 626325533 /nfs/dbraw/zinc/32/55/33/626325533.db2.gz OLYYQAQXWWRVGG-QGZVFWFLSA-N 1 1 257.377 3.059 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000839524451 626356412 /nfs/dbraw/zinc/35/64/12/626356412.db2.gz GECVPVTYOBEDDR-COXVUDFISA-N 1 1 290.382 3.406 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)[C@H]1C ZINC000752089630 626418601 /nfs/dbraw/zinc/41/86/01/626418601.db2.gz WVZNTYXTYZGGGM-RYUDHWBXSA-N 1 1 278.783 3.473 20 30 CGEDMO C#CC[N@H+](CCCc1ccncc1)Cc1ccc(F)cc1 ZINC000753920914 626468811 /nfs/dbraw/zinc/46/88/11/626468811.db2.gz LDZHPLSJZMXYHY-UHFFFAOYSA-N 1 1 282.362 3.289 20 30 CGEDMO C=CCCCCCCNC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000805070546 626586607 /nfs/dbraw/zinc/58/66/07/626586607.db2.gz KUVBKMKMXQQQEW-JKSUJKDBSA-N 1 1 293.455 3.049 20 30 CGEDMO C#CCC[NH+]1CCN(C(=O)[C@@H](CCCCC)C(C)C)CC1 ZINC000755282675 626611838 /nfs/dbraw/zinc/61/18/38/626611838.db2.gz RNXKLIQSVSWCIQ-KRWDZBQOSA-N 1 1 292.467 3.006 20 30 CGEDMO CC(=NO[C@H]1CCCCO1)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000755815214 626649365 /nfs/dbraw/zinc/64/93/65/626649365.db2.gz PZXXVESUUUJWPL-KRWDZBQOSA-N 1 1 299.374 3.448 20 30 CGEDMO Cc1ccnc(N=NC2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000755902353 626658559 /nfs/dbraw/zinc/65/85/59/626658559.db2.gz JWCXSNQGXBLRBC-UHFFFAOYSA-N 1 1 280.375 3.064 20 30 CGEDMO CC[C@H]1CC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000755924688 626661180 /nfs/dbraw/zinc/66/11/80/626661180.db2.gz PDKLVXIQWYSDOE-AWEZNQCLSA-N 1 1 280.375 3.111 20 30 CGEDMO C#CC[N@H+]1CCC[C@@H]1c1ccccc1Br ZINC000755997148 626667552 /nfs/dbraw/zinc/66/75/52/626667552.db2.gz DWBGWLOCJRGWNX-CYBMUJFWSA-N 1 1 264.166 3.219 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H]1c1ccccc1Br ZINC000755997148 626667556 /nfs/dbraw/zinc/66/75/56/626667556.db2.gz DWBGWLOCJRGWNX-CYBMUJFWSA-N 1 1 264.166 3.219 20 30 CGEDMO C#CC[C@@H]([NH2+]Cc1nc2ccccc2[nH]1)c1ccccc1 ZINC000756996987 626745717 /nfs/dbraw/zinc/74/57/17/626745717.db2.gz SQWIEZNGDHLBHX-OAHLLOKOSA-N 1 1 275.355 3.417 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC)C1 ZINC000757111363 626755364 /nfs/dbraw/zinc/75/53/64/626755364.db2.gz WFJDTVZDLWNUDI-ZIAGYGMSSA-N 1 1 282.428 3.188 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC000839676456 626777035 /nfs/dbraw/zinc/77/70/35/626777035.db2.gz NZNFRZYGMGQJRP-INIZCTEOSA-N 1 1 280.412 3.038 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H](C2CCC2)C1 ZINC000839677309 626777680 /nfs/dbraw/zinc/77/76/80/626777680.db2.gz RRHANVXGPFZIHF-AWEZNQCLSA-N 1 1 258.340 3.319 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000757642429 626797127 /nfs/dbraw/zinc/79/71/27/626797127.db2.gz LYLTVEROGVSOEB-CYBMUJFWSA-N 1 1 275.783 3.253 20 30 CGEDMO C=C1CC[NH+](C[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000759860594 626928049 /nfs/dbraw/zinc/92/80/49/626928049.db2.gz CHSYKYIHGSFMIC-CQSZACIVSA-N 1 1 269.747 3.165 20 30 CGEDMO N#Cc1ccc(-c2ccn(C[N@H+]3CC[C@@H](C4CC4)C3)n2)cc1 ZINC000763332480 627151822 /nfs/dbraw/zinc/15/18/22/627151822.db2.gz NXDJHSJWFJAHAG-QGZVFWFLSA-N 1 1 292.386 3.111 20 30 CGEDMO C=C(C)COc1cc(C[NH2+]CC(=C)Cl)ccc1OC ZINC000763435784 627158419 /nfs/dbraw/zinc/15/84/19/627158419.db2.gz ULTSMMVPMMSEFZ-UHFFFAOYSA-N 1 1 281.783 3.492 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(Br)s1)C1CC1 ZINC000763956198 627187667 /nfs/dbraw/zinc/18/76/67/627187667.db2.gz XKPHXNBNTDZVBO-UHFFFAOYSA-N 1 1 270.195 3.108 20 30 CGEDMO C#CC[N@H+](Cc1ccc(Br)s1)C1CC1 ZINC000763956198 627187669 /nfs/dbraw/zinc/18/76/69/627187669.db2.gz XKPHXNBNTDZVBO-UHFFFAOYSA-N 1 1 270.195 3.108 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC1=NOCC(F)(F)F ZINC000764844747 627229103 /nfs/dbraw/zinc/22/91/03/627229103.db2.gz NANRVIHQUXZBHP-NSHDSACASA-N 1 1 286.297 3.073 20 30 CGEDMO FC(F)(F)c1cccc(N=NC2CC[N@H+]3CCC[C@H]23)c1 ZINC000765548825 627258846 /nfs/dbraw/zinc/25/88/46/627258846.db2.gz OFVBXTQLHBIDBH-CYBMUJFWSA-N 1 1 283.297 3.341 20 30 CGEDMO c1ccc2c(c1)cccc2N=NC1CC[N@H+]2CCC[C@H]12 ZINC000765571885 627260012 /nfs/dbraw/zinc/26/00/12/627260012.db2.gz LYLKXGCILSYGKQ-QGZVFWFLSA-N 1 1 265.360 3.476 20 30 CGEDMO C#CCCC[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000766896296 627368372 /nfs/dbraw/zinc/36/83/72/627368372.db2.gz ZAVSWBVVMFMXQY-QGZVFWFLSA-N 1 1 257.377 3.081 20 30 CGEDMO C#CCCC[N@H+](CC)[C@H](C)Cc1ccc(OC)cc1 ZINC000766899522 627368641 /nfs/dbraw/zinc/36/86/41/627368641.db2.gz CCTLIWAZYQXYLM-OAHLLOKOSA-N 1 1 259.393 3.362 20 30 CGEDMO C#CCCC[N@@H+]1Cc2ccccc2N(C)C[C@H]1CC ZINC000766905950 627369049 /nfs/dbraw/zinc/36/90/49/627369049.db2.gz NWLHHHDGCPCKFR-MRXNPFEDSA-N 1 1 256.393 3.130 20 30 CGEDMO COCCOc1ccc(C[N@H+](CCC#N)CC(C)C)cc1 ZINC000768153980 627464244 /nfs/dbraw/zinc/46/42/44/627464244.db2.gz RHKRQYHFNOLAGJ-UHFFFAOYSA-N 1 1 290.407 3.083 20 30 CGEDMO COCCOc1ccc(C[N@@H+](CCC#N)CC(C)C)cc1 ZINC000768153980 627464246 /nfs/dbraw/zinc/46/42/46/627464246.db2.gz RHKRQYHFNOLAGJ-UHFFFAOYSA-N 1 1 290.407 3.083 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000877795242 635205101 /nfs/dbraw/zinc/20/51/01/635205101.db2.gz DEMSRHYKPFBXCU-HNNXBMFYSA-N 1 1 251.414 3.053 20 30 CGEDMO CC[N@@H+](Cc1cncc2ccccc21)C[C@H](C)C#N ZINC000768880823 627506026 /nfs/dbraw/zinc/50/60/26/627506026.db2.gz JLPCTRDHRJQWLW-CYBMUJFWSA-N 1 1 253.349 3.216 20 30 CGEDMO CC[N@H+](Cc1cncc2ccccc21)C[C@H](C)C#N ZINC000768880823 627506028 /nfs/dbraw/zinc/50/60/28/627506028.db2.gz JLPCTRDHRJQWLW-CYBMUJFWSA-N 1 1 253.349 3.216 20 30 CGEDMO C#CC[N@H+](CC)Cc1cc(Cl)c(OC)c(OCC)c1 ZINC000769103872 627522314 /nfs/dbraw/zinc/52/23/14/627522314.db2.gz DDDUOWYUHGPKDP-UHFFFAOYSA-N 1 1 281.783 3.202 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)Cc1ccc2c(c1)COC2 ZINC000769335573 627543499 /nfs/dbraw/zinc/54/34/99/627543499.db2.gz MPZGGSWBCWLPFA-UHFFFAOYSA-N 1 1 272.392 3.479 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)Cc1ccc2c(c1)COC2 ZINC000769335573 627543502 /nfs/dbraw/zinc/54/35/02/627543502.db2.gz MPZGGSWBCWLPFA-UHFFFAOYSA-N 1 1 272.392 3.479 20 30 CGEDMO C#CC[N@@H+](CC#CC)Cc1cc2cc(F)ccc2o1 ZINC000769449137 627553333 /nfs/dbraw/zinc/55/33/33/627553333.db2.gz ZYRCKELDJXCEOY-UHFFFAOYSA-N 1 1 255.292 3.030 20 30 CGEDMO C#CC[N@H+](CC#CC)Cc1cc2cc(F)ccc2o1 ZINC000769449137 627553334 /nfs/dbraw/zinc/55/33/34/627553334.db2.gz ZYRCKELDJXCEOY-UHFFFAOYSA-N 1 1 255.292 3.030 20 30 CGEDMO Cc1[nH+]ccn1CCCn1ccc(-c2ccc(C#N)cc2)n1 ZINC000769564968 627566685 /nfs/dbraw/zinc/56/66/85/627566685.db2.gz RLKWUGHXHDOOKF-UHFFFAOYSA-N 1 1 291.358 3.017 20 30 CGEDMO C=CC[C@@H]1[N@H+](C[C@@H]2CC3(CC3)C(=O)O2)CCCC1(C)C ZINC000769952601 627592000 /nfs/dbraw/zinc/59/20/00/627592000.db2.gz DRYLLMAJGIGIJR-KBPBESRZSA-N 1 1 277.408 3.149 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(OCc2ccccc2F)nc1 ZINC000769977271 627594398 /nfs/dbraw/zinc/59/43/98/627594398.db2.gz DCXOGEAXRKCWPY-CQSZACIVSA-N 1 1 298.361 3.253 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(OCc2ccccc2F)nc1 ZINC000769977271 627594402 /nfs/dbraw/zinc/59/44/02/627594402.db2.gz DCXOGEAXRKCWPY-CQSZACIVSA-N 1 1 298.361 3.253 20 30 CGEDMO C=CC[N@H+](Cn1ccc(-c2cccs2)n1)C1CC1 ZINC000771640246 627724920 /nfs/dbraw/zinc/72/49/20/627724920.db2.gz FFYURYKZQZPAEX-UHFFFAOYSA-N 1 1 259.378 3.220 20 30 CGEDMO C=CC[N@@H+](Cn1ccc(-c2cccs2)n1)C1CC1 ZINC000771640246 627724921 /nfs/dbraw/zinc/72/49/21/627724921.db2.gz FFYURYKZQZPAEX-UHFFFAOYSA-N 1 1 259.378 3.220 20 30 CGEDMO C[C@H](CC#N)NN=CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000771888587 627741361 /nfs/dbraw/zinc/74/13/61/627741361.db2.gz LFLVEXKCJNFEDF-OAHLLOKOSA-N 1 1 286.423 3.022 20 30 CGEDMO C#CCCCCC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000773276526 627870432 /nfs/dbraw/zinc/87/04/32/627870432.db2.gz WDVVLHZRAKFCNP-AEFFLSMTSA-N 1 1 298.430 3.132 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)C[C@@H]1CCC=CO1 ZINC000774858033 628041389 /nfs/dbraw/zinc/04/13/89/628041389.db2.gz LRKCSAMIYVYWGT-KRWDZBQOSA-N 1 1 257.377 3.410 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(C(F)(F)F)cc1C ZINC000775184040 628069116 /nfs/dbraw/zinc/06/91/16/628069116.db2.gz SYHVHLVTQLXMOJ-NSHDSACASA-N 1 1 255.283 3.467 20 30 CGEDMO CC[N@H+](CCN[C@H]1CCCc2cc(C#N)ccc21)C(C)C ZINC000775379772 628086876 /nfs/dbraw/zinc/08/68/76/628086876.db2.gz BGOFHFPSRJXRTQ-SFHVURJKSA-N 1 1 285.435 3.256 20 30 CGEDMO CC[N@@H+](CCN[C@H]1CCCc2cc(C#N)ccc21)C(C)C ZINC000775379772 628086879 /nfs/dbraw/zinc/08/68/79/628086879.db2.gz BGOFHFPSRJXRTQ-SFHVURJKSA-N 1 1 285.435 3.256 20 30 CGEDMO C#C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1OC)[C@H]1CCCO1 ZINC000775575854 628110395 /nfs/dbraw/zinc/11/03/95/628110395.db2.gz ZMEFAPPRRJMMOW-HZUKXOBISA-N 1 1 293.794 3.180 20 30 CGEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)/N=C\c1cccc(O)c1O ZINC000775631777 628116701 /nfs/dbraw/zinc/11/67/01/628116701.db2.gz VQYVHZMPDAOEQL-AXLWCPOOSA-N 1 1 298.386 3.037 20 30 CGEDMO C#CC[N@H+](C)[C@H](CC)Cc1ccccc1Br ZINC000775838757 628141331 /nfs/dbraw/zinc/14/13/31/628141331.db2.gz QVABIVCOFNQTFV-CYBMUJFWSA-N 1 1 280.209 3.335 20 30 CGEDMO CC(C)C[N@@H+](C[C@H](O)c1ccc(F)cc1)CC1(C#N)CC1 ZINC000775974776 628154676 /nfs/dbraw/zinc/15/46/76/628154676.db2.gz FAVJZZHLDDPEMK-INIZCTEOSA-N 1 1 290.382 3.121 20 30 CGEDMO C=CC[N@H+](CCC(=O)OCc1ccccc1)C(C)C ZINC000776579161 628220371 /nfs/dbraw/zinc/22/03/71/628220371.db2.gz KUGDGRVYRRDGEF-UHFFFAOYSA-N 1 1 261.365 3.016 20 30 CGEDMO Cc1cc2ccccc2nc1N=NC1CC[N@H+]2CCC[C@H]12 ZINC000776783848 628231639 /nfs/dbraw/zinc/23/16/39/628231639.db2.gz WRRSEHKIWVFETL-MRXNPFEDSA-N 1 1 280.375 3.179 20 30 CGEDMO CC(C)[C@H](Cc1ccccc1)NN=C1CC[N@@H+](C)[C@H](C)C1 ZINC000777449225 628271888 /nfs/dbraw/zinc/27/18/88/628271888.db2.gz UGLJBAFOFZTNSH-QAPCUYQASA-N 1 1 287.451 3.313 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@H+]2CC[C@@H](C)[C@@H](F)C2)c1O ZINC000777964721 628316269 /nfs/dbraw/zinc/31/62/69/628316269.db2.gz RXFVFUOSBFSVND-WBMJQRKESA-N 1 1 293.382 3.309 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000778231806 628336279 /nfs/dbraw/zinc/33/62/79/628336279.db2.gz DFRXCIASWCIJAW-UHFFFAOYSA-N 1 1 264.756 3.250 20 30 CGEDMO CCC(=NNC1=[NH+]C[C@@H](C)N1)c1ccc(Cl)c(Cl)c1 ZINC000779794015 628432586 /nfs/dbraw/zinc/43/25/86/628432586.db2.gz ZTKUGIWCELLMEK-MRVPVSSYSA-N 1 1 299.205 3.045 20 30 CGEDMO Clc1ccc(C=NNc2cc[nH+]cc2)c2ncccc12 ZINC000779808263 628433378 /nfs/dbraw/zinc/43/33/78/628433378.db2.gz DYZFXISNMZBPJT-UHFFFAOYSA-N 1 1 282.734 3.151 20 30 CGEDMO Clc1nc2ccccc2cc1C=NNc1cc[nH+]cc1 ZINC000779810094 628433877 /nfs/dbraw/zinc/43/38/77/628433877.db2.gz URJVRIXMSFGXLE-UHFFFAOYSA-N 1 1 282.734 3.151 20 30 CGEDMO Cc1cc(C=NNc2cc[nH+]cc2)c(OC(F)F)cc1C ZINC000779809493 628433897 /nfs/dbraw/zinc/43/38/97/628433897.db2.gz KAMVXXGQUSPPID-UHFFFAOYSA-N 1 1 291.301 3.168 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2ccc(F)c(Cl)c2)nc1 ZINC000780555041 628499022 /nfs/dbraw/zinc/49/90/22/628499022.db2.gz MGBMQINONAAEOU-UHFFFAOYSA-N 1 1 275.714 3.036 20 30 CGEDMO CC(C)[C@H]1CCC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000781983290 628608291 /nfs/dbraw/zinc/60/82/91/628608291.db2.gz SFODMNXJJBWPNT-INIZCTEOSA-N 1 1 272.392 3.457 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1cc(F)c(F)c(F)c1 ZINC000783300210 628701606 /nfs/dbraw/zinc/70/16/06/628701606.db2.gz KMQWHEGTMCHBME-SECBINFHSA-N 1 1 291.276 3.221 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)cc1 ZINC000783736520 628743878 /nfs/dbraw/zinc/74/38/78/628743878.db2.gz CCBKQRXIMUDQPG-JYJNAYRXSA-N 1 1 287.403 3.086 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CC(C)(C)C1 ZINC000784348991 628808272 /nfs/dbraw/zinc/80/82/72/628808272.db2.gz AUTWFLYIDUEUBU-AWEZNQCLSA-N 1 1 272.392 3.457 20 30 CGEDMO C[C@]1(C#N)CCC[N@H+](Cc2cncc3ccccc32)C1 ZINC000784455099 628814462 /nfs/dbraw/zinc/81/44/62/628814462.db2.gz SNZARUZGDQEUOU-QGZVFWFLSA-N 1 1 265.360 3.360 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](Cc2cncc3ccccc32)C1 ZINC000784455099 628814463 /nfs/dbraw/zinc/81/44/63/628814463.db2.gz SNZARUZGDQEUOU-QGZVFWFLSA-N 1 1 265.360 3.360 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000784522928 628819080 /nfs/dbraw/zinc/81/90/80/628819080.db2.gz JJPVLPODXLFSGU-KKUMJFAQSA-N 1 1 294.439 3.188 20 30 CGEDMO N#Cc1ccc(F)c(C[NH2+]Cc2scnc2C2CC2)c1 ZINC000785483169 628866089 /nfs/dbraw/zinc/86/60/89/628866089.db2.gz MBYLMURXLUCWJF-UHFFFAOYSA-N 1 1 287.363 3.321 20 30 CGEDMO CCCCCCCCCC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000787630537 629019973 /nfs/dbraw/zinc/01/99/73/629019973.db2.gz MWZMJWSZAWNJDV-IYBDPMFKSA-N 1 1 280.456 3.147 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CCSC(C)(C)CC1 ZINC000789763417 629166676 /nfs/dbraw/zinc/16/66/76/629166676.db2.gz JECGGCUUXAXLJY-UHFFFAOYSA-N 1 1 289.444 3.416 20 30 CGEDMO CC[C@@H](C)NN=C1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000790187540 629191027 /nfs/dbraw/zinc/19/10/27/629191027.db2.gz FXZZMYUKXAERTM-HUUCEWRRSA-N 1 1 273.424 3.273 20 30 CGEDMO CC[C@@H](C)NN=C1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000790187540 629191029 /nfs/dbraw/zinc/19/10/29/629191029.db2.gz FXZZMYUKXAERTM-HUUCEWRRSA-N 1 1 273.424 3.273 20 30 CGEDMO Cc1cccnc1N=NC1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000790187036 629191149 /nfs/dbraw/zinc/19/11/49/629191149.db2.gz SLTGSHPTGWAKPW-HNNXBMFYSA-N 1 1 294.402 3.310 20 30 CGEDMO CC(C)C[N@H+](CCC#N)Cc1ccc(N(C)C(C)C)nc1 ZINC000792157383 629341397 /nfs/dbraw/zinc/34/13/97/629341397.db2.gz VUEGVKQHYFWVMX-UHFFFAOYSA-N 1 1 288.439 3.298 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc(N(C)C(C)C)nc1 ZINC000792157383 629341401 /nfs/dbraw/zinc/34/14/01/629341401.db2.gz VUEGVKQHYFWVMX-UHFFFAOYSA-N 1 1 288.439 3.298 20 30 CGEDMO Cc1ccc(N2CC[NH+](CC#Cc3ccccc3)CC2)cc1 ZINC000792281202 629354178 /nfs/dbraw/zinc/35/41/78/629354178.db2.gz UVSITURKDHUWIM-UHFFFAOYSA-N 1 1 290.410 3.169 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000862443635 629376920 /nfs/dbraw/zinc/37/69/20/629376920.db2.gz ROAMUVGRFJYMDX-GFCCVEGCSA-N 1 1 295.329 3.142 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(C)cc2)C1 ZINC000862444127 629377186 /nfs/dbraw/zinc/37/71/86/629377186.db2.gz YEKWDXSPNNGRDS-HNNXBMFYSA-N 1 1 279.387 3.230 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000862445177 629378220 /nfs/dbraw/zinc/37/82/20/629378220.db2.gz NMOGEJWOBTUYNY-NSHDSACASA-N 1 1 278.739 3.093 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2cc3ccncc3s2)C1 ZINC000862448442 629380738 /nfs/dbraw/zinc/38/07/38/629380738.db2.gz YVRYGSLVTSGXQU-GFCCVEGCSA-N 1 1 256.374 3.142 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cc(Cl)c(O)c(OCC)c2)C1 ZINC000862447881 629381369 /nfs/dbraw/zinc/38/13/69/629381369.db2.gz RVHFXKGAZLHJIJ-LBPRGKRZSA-N 1 1 293.794 3.290 20 30 CGEDMO C=CC[N@H+](CN1CC[C@@H](CCc2ccccc2)C1=O)C1CC1 ZINC000793512007 629472602 /nfs/dbraw/zinc/47/26/02/629472602.db2.gz ONTRXSQZQUGTPV-QGZVFWFLSA-N 1 1 298.430 3.076 20 30 CGEDMO C=CC[N@@H+](CN1CC[C@@H](CCc2ccccc2)C1=O)C1CC1 ZINC000793512007 629472607 /nfs/dbraw/zinc/47/26/07/629472607.db2.gz ONTRXSQZQUGTPV-QGZVFWFLSA-N 1 1 298.430 3.076 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000795576739 629697202 /nfs/dbraw/zinc/69/72/02/629697202.db2.gz UAHZJFKJYQLRJT-CYBMUJFWSA-N 1 1 251.782 3.140 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCC[C@H]1COC(=O)NCCCC ZINC000796156003 629749874 /nfs/dbraw/zinc/74/98/74/629749874.db2.gz DNYJJVMIJBJWLE-HNNXBMFYSA-N 1 1 282.428 3.333 20 30 CGEDMO C[C@H](C#N)OCC[N@H+](Cc1ccccc1Cl)CC1CC1 ZINC000796260672 629757782 /nfs/dbraw/zinc/75/77/82/629757782.db2.gz NQYNNRGUTKRDNQ-CYBMUJFWSA-N 1 1 292.810 3.481 20 30 CGEDMO C=CCC(C)(C)C(=O)OCC[N@H+](C)Cc1ccc(F)cc1 ZINC000796462943 629784756 /nfs/dbraw/zinc/78/47/56/629784756.db2.gz PSELOYFLBFQDPJ-UHFFFAOYSA-N 1 1 293.382 3.403 20 30 CGEDMO C#CC[N@@H+](CCCC1CCOCC1)Cc1ccccc1 ZINC000796639979 629809355 /nfs/dbraw/zinc/80/93/55/629809355.db2.gz RNZUXVPPNVWDPP-UHFFFAOYSA-N 1 1 271.404 3.329 20 30 CGEDMO CCc1[nH+]c(C)cn1Cc1cc(Cl)ccc1OCC#N ZINC000865393510 630098391 /nfs/dbraw/zinc/09/83/91/630098391.db2.gz YWHDHJSRALACNO-UHFFFAOYSA-N 1 1 289.766 3.358 20 30 CGEDMO C=CCc1cc(C[N@@H+](C)CCCSC)c(O)c(OC)c1 ZINC000799160111 630150947 /nfs/dbraw/zinc/15/09/47/630150947.db2.gz DADUTNVRWDYYGW-UHFFFAOYSA-N 1 1 295.448 3.314 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801517420 630340393 /nfs/dbraw/zinc/34/03/93/630340393.db2.gz GAOPFKTYQHMVPE-UHFFFAOYSA-N 1 1 252.289 3.132 20 30 CGEDMO Cc1ccc([C@@H](C)[N@H+](C)CCO[C@@H](C)C#N)c(C)c1 ZINC000801912940 630364722 /nfs/dbraw/zinc/36/47/22/630364722.db2.gz JHLWLTWMITWSOH-LSDHHAIUSA-N 1 1 260.381 3.225 20 30 CGEDMO Cc1ccc([C@H]2CCCCC[N@@H+]2CCO[C@@H](C)C#N)o1 ZINC000801922744 630366391 /nfs/dbraw/zinc/36/63/91/630366391.db2.gz OBXACBJVFGCJHG-LSDHHAIUSA-N 1 1 276.380 3.434 20 30 CGEDMO Cc1ccc([C@H]2CSCC[N@@H+]2CCO[C@@H](C)C#N)cc1 ZINC000801921814 630366676 /nfs/dbraw/zinc/36/66/76/630366676.db2.gz NBVLATBQFLIHFC-GOEBONIOSA-N 1 1 290.432 3.014 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000801921201 630367150 /nfs/dbraw/zinc/36/71/50/630367150.db2.gz ZLBGADALDPEMRI-JSGCOSHPSA-N 1 1 278.783 3.058 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000801924299 630367629 /nfs/dbraw/zinc/36/76/29/630367629.db2.gz MLPUSIPRJXNCRF-RISCZKNCSA-N 1 1 264.756 3.015 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CC[C@H]1c1ccc(Cl)cc1 ZINC000801924299 630367631 /nfs/dbraw/zinc/36/76/31/630367631.db2.gz MLPUSIPRJXNCRF-RISCZKNCSA-N 1 1 264.756 3.015 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000801930343 630369450 /nfs/dbraw/zinc/36/94/50/630369450.db2.gz NHSILETXNBVHKX-HOCLYGCPSA-N 1 1 297.402 3.276 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000801933924 630369813 /nfs/dbraw/zinc/36/98/13/630369813.db2.gz DVEOSFMISJDWOG-HIFRSBDPSA-N 1 1 299.374 3.283 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCCC[C@H]1c1nc2ccccc2o1 ZINC000801933924 630369816 /nfs/dbraw/zinc/36/98/16/630369816.db2.gz DVEOSFMISJDWOG-HIFRSBDPSA-N 1 1 299.374 3.283 20 30 CGEDMO CCCC1CCC([N@@H+](C)CCO[C@@H](C)C#N)CC1 ZINC000801948881 630372940 /nfs/dbraw/zinc/37/29/40/630372940.db2.gz HYDBFWVQKAULFH-NFOMZHRRSA-N 1 1 252.402 3.206 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)C[C@H](C)C(C)(C)C)n1 ZINC000802651578 630402473 /nfs/dbraw/zinc/40/24/73/630402473.db2.gz RBHKHURMYSMROR-AWEZNQCLSA-N 1 1 261.413 3.020 20 30 CGEDMO CC(C)(C)c1ccc([C@H]2CCC[N@H+]2C[C@H](O)CC#N)cc1 ZINC000809572114 630751658 /nfs/dbraw/zinc/75/16/58/630751658.db2.gz HSKYOVAGCNSFFX-IAGOWNOFSA-N 1 1 286.419 3.396 20 30 CGEDMO C#CCCCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000878285575 635445466 /nfs/dbraw/zinc/44/54/66/635445466.db2.gz CFQPWWWPWZTEAP-SJLPKXTDSA-N 1 1 274.452 3.129 20 30 CGEDMO C#CCCCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000878285575 635445473 /nfs/dbraw/zinc/44/54/73/635445473.db2.gz CFQPWWWPWZTEAP-SJLPKXTDSA-N 1 1 274.452 3.129 20 30 CGEDMO C#Cc1ccc(CNC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1 ZINC000809606199 630760137 /nfs/dbraw/zinc/76/01/37/630760137.db2.gz VUJHSULQOHCGFH-CVEARBPZSA-N 1 1 270.420 3.020 20 30 CGEDMO C#Cc1ccc(CNC[C@H](C)[N@H+]2CCCC[C@H]2C)cc1 ZINC000809606199 630760139 /nfs/dbraw/zinc/76/01/39/630760139.db2.gz VUJHSULQOHCGFH-CVEARBPZSA-N 1 1 270.420 3.020 20 30 CGEDMO C#Cc1ccc(CNc2ccc3c(c2)[nH+]cn3C)cc1 ZINC000809633414 630769478 /nfs/dbraw/zinc/76/94/78/630769478.db2.gz FIBDWSFUVGDPOM-UHFFFAOYSA-N 1 1 261.328 3.167 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)Cc2ncc(C)c(OC)c2C)cc1 ZINC000809639722 630771497 /nfs/dbraw/zinc/77/14/97/630771497.db2.gz MTYKOOGWTXODCD-UHFFFAOYSA-N 1 1 294.398 3.320 20 30 CGEDMO C#Cc1ccc(CN(C)Cc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000809639722 630771499 /nfs/dbraw/zinc/77/14/99/630771499.db2.gz MTYKOOGWTXODCD-UHFFFAOYSA-N 1 1 294.398 3.320 20 30 CGEDMO C#Cc1ccc(C[N@H+](CCN(C)C)Cc2ccccc2)cc1 ZINC000809728058 630793044 /nfs/dbraw/zinc/79/30/44/630793044.db2.gz IXXPERBJIUCKFA-UHFFFAOYSA-N 1 1 292.426 3.232 20 30 CGEDMO C#Cc1ccc(C[N@@H+](CCN(C)C)Cc2ccccc2)cc1 ZINC000809728058 630793049 /nfs/dbraw/zinc/79/30/49/630793049.db2.gz IXXPERBJIUCKFA-UHFFFAOYSA-N 1 1 292.426 3.232 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000809729020 630794134 /nfs/dbraw/zinc/79/41/34/630794134.db2.gz OMRYAUFYMZPTLM-SFHVURJKSA-N 1 1 262.356 3.400 20 30 CGEDMO CCCCCCC[N@H+]1CCCC[C@@H]1CC(=O)OC ZINC000103746746 630909245 /nfs/dbraw/zinc/90/92/45/630909245.db2.gz RMYSCBGPUNNHFH-CQSZACIVSA-N 1 1 255.402 3.374 20 30 CGEDMO C#CC[C@@H](OC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)(C)C ZINC000810674095 630925258 /nfs/dbraw/zinc/92/52/58/630925258.db2.gz XHGCKVWFFKVXGX-CXAGYDPISA-N 1 1 297.414 3.180 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000811510747 631080033 /nfs/dbraw/zinc/08/00/33/631080033.db2.gz NYYKQQVJLWAGEZ-ROUUACIJSA-N 1 1 299.414 3.088 20 30 CGEDMO C[C@@H]1CN(c2ccccc2C=[NH+]OC/C=C/Cl)CCO1 ZINC000811672167 631108869 /nfs/dbraw/zinc/10/88/69/631108869.db2.gz RXEUCQMKOYLXBT-ICYAJWBMSA-N 1 1 294.782 3.015 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000812835880 631323252 /nfs/dbraw/zinc/32/32/52/631323252.db2.gz YDGVIMQKFSDRJG-AWEZNQCLSA-N 1 1 282.428 3.188 20 30 CGEDMO CC[N@@H+](Cc1ccc(OCC#N)cc1)CC(C)(C)C ZINC000812892002 631329621 /nfs/dbraw/zinc/32/96/21/631329621.db2.gz CCAWEWUWWUUZAX-UHFFFAOYSA-N 1 1 260.381 3.457 20 30 CGEDMO CC(=O)c1ccc(C#N)cc1NCCCC[N@H+](C)C1CC1 ZINC000840316230 631562656 /nfs/dbraw/zinc/56/26/56/631562656.db2.gz MMNQHIKERPGJMT-UHFFFAOYSA-N 1 1 285.391 3.047 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000878991611 635673713 /nfs/dbraw/zinc/67/37/13/635673713.db2.gz LVCBYUSPDAOCLU-YESZJQIVSA-N 1 1 270.376 3.142 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000878991611 635673715 /nfs/dbraw/zinc/67/37/15/635673715.db2.gz LVCBYUSPDAOCLU-YESZJQIVSA-N 1 1 270.376 3.142 20 30 CGEDMO Brc1cnn([NH+]=C2CC[C@@H]2C2CCC2)c1 ZINC000814884631 631664887 /nfs/dbraw/zinc/66/48/87/631664887.db2.gz QYEJPKGCSYRSFI-SNVBAGLBSA-N 1 1 268.158 3.060 20 30 CGEDMO C#CC[N@@H+](C)CCCNc1ccc2c(Cl)cccc2n1 ZINC000814928898 631686267 /nfs/dbraw/zinc/68/62/67/631686267.db2.gz BCADNIQNADUNSZ-UHFFFAOYSA-N 1 1 287.794 3.255 20 30 CGEDMO Nc1ccc2c(c1)C(=[NH+]OC/C=C/Cl)CCC2 ZINC000814934365 631689454 /nfs/dbraw/zinc/68/94/54/631689454.db2.gz SILIINYPBZRJHS-DJELVZJCSA-N 1 1 250.729 3.078 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000815103381 631717574 /nfs/dbraw/zinc/71/75/74/631717574.db2.gz SRIKYSVCAIADPK-VIFPVBQESA-N 1 1 286.253 3.067 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000815103381 631717577 /nfs/dbraw/zinc/71/75/77/631717577.db2.gz SRIKYSVCAIADPK-VIFPVBQESA-N 1 1 286.253 3.067 20 30 CGEDMO CCCCCCC[N@@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000815144384 631729729 /nfs/dbraw/zinc/72/97/29/631729729.db2.gz YTEJQWZBDRSUMA-MRXNPFEDSA-N 1 1 252.446 3.375 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@]2(C1)CCCN(C)C2 ZINC000815144384 631729734 /nfs/dbraw/zinc/72/97/34/631729734.db2.gz YTEJQWZBDRSUMA-MRXNPFEDSA-N 1 1 252.446 3.375 20 30 CGEDMO C#CC[N@H+](CC)C/C(C)=C\c1ccccc1COC ZINC000816496278 631993405 /nfs/dbraw/zinc/99/34/05/631993405.db2.gz CVHCSCYUJVBYBS-QINSGFPZSA-N 1 1 257.377 3.191 20 30 CGEDMO COc1ccc(C[N@H+]2C[C@H](C)[C@@H]2C)cc1OCCCC#N ZINC000816647435 632033403 /nfs/dbraw/zinc/03/34/03/632033403.db2.gz SBUCNIKMWVNCSC-KBPBESRZSA-N 1 1 288.391 3.218 20 30 CGEDMO CC(C)[N@@H+](CCO[C@@H](C)C#N)[C@H](C)c1ccsc1 ZINC000817286375 632116156 /nfs/dbraw/zinc/11/61/56/632116156.db2.gz KBMWGNBTANUYTL-QWHCGFSZSA-N 1 1 266.410 3.448 20 30 CGEDMO C=C(Cl)COc1ccc([C@H](C)NCCC[NH2+]CC)cc1 ZINC000817942651 632242161 /nfs/dbraw/zinc/24/21/61/632242161.db2.gz BXZPXDKRYUJGNT-AWEZNQCLSA-N 1 1 296.842 3.468 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(F)nc1 ZINC000822525648 632962418 /nfs/dbraw/zinc/96/24/18/632962418.db2.gz KYZPCVTZBDWROD-GFCCVEGCSA-N 1 1 269.323 3.285 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCC(C)(C)C#N)CC[C@@H](C(F)(F)F)O1 ZINC000880059601 635905977 /nfs/dbraw/zinc/90/59/77/635905977.db2.gz JOXMMGJTGRFJCH-NEPJUHHUSA-N 1 1 292.345 3.358 20 30 CGEDMO Cc1ccc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)s1 ZINC000866239480 633040925 /nfs/dbraw/zinc/04/09/25/633040925.db2.gz XKBOOBAQCSQUML-NSHDSACASA-N 1 1 272.373 3.485 20 30 CGEDMO C[C@@H]([NH2+][C@@H](C)c1ccc[nH]1)c1cccc(C#N)c1O ZINC000866313162 633078028 /nfs/dbraw/zinc/07/80/28/633078028.db2.gz XGJRIPMKYFUUOY-MNOVXSKESA-N 1 1 255.321 3.004 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000880053698 635904234 /nfs/dbraw/zinc/90/42/34/635904234.db2.gz QOKKLOVJKUMJQM-BXUZGUMPSA-N 1 1 298.308 3.272 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000880053698 635904237 /nfs/dbraw/zinc/90/42/37/635904237.db2.gz QOKKLOVJKUMJQM-BXUZGUMPSA-N 1 1 298.308 3.272 20 30 CGEDMO CCCCOC(=O)CC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000823619082 633127934 /nfs/dbraw/zinc/12/79/34/633127934.db2.gz XAYNOKNETRNGOP-AWEZNQCLSA-N 1 1 288.391 3.284 20 30 CGEDMO C=CC[C@@H]([NH2+]Cc1ncc(C)s1)c1ccncc1 ZINC000823888314 633166136 /nfs/dbraw/zinc/16/61/36/633166136.db2.gz ZRMVEMZKTKIBLD-CYBMUJFWSA-N 1 1 259.378 3.254 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000866581660 633201790 /nfs/dbraw/zinc/20/17/90/633201790.db2.gz AHOYJHVZWQUVKV-KCXAZCMYSA-N 1 1 272.417 3.304 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)c(C)c1OC ZINC000826861900 633438223 /nfs/dbraw/zinc/43/82/23/633438223.db2.gz NEEWVAKRISGROC-AWEZNQCLSA-N 1 1 288.391 3.138 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000826946453 633445134 /nfs/dbraw/zinc/44/51/34/633445134.db2.gz HJKJAFJOOFKOOL-JTQLQIEISA-N 1 1 273.302 3.217 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000826946453 633445138 /nfs/dbraw/zinc/44/51/38/633445138.db2.gz HJKJAFJOOFKOOL-JTQLQIEISA-N 1 1 273.302 3.217 20 30 CGEDMO N#Cc1cnccc1C[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000827975353 633543259 /nfs/dbraw/zinc/54/32/59/633543259.db2.gz GHDUNTHVDQKCHU-UHFFFAOYSA-N 1 1 295.361 3.472 20 30 CGEDMO C=CCC(F)(F)C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC000888576396 633775616 /nfs/dbraw/zinc/77/56/16/633775616.db2.gz VVULAEAJTPEXKD-UHFFFAOYSA-N 1 1 295.333 3.222 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC000829773798 633779889 /nfs/dbraw/zinc/77/98/89/633779889.db2.gz JXZZBOOUEFXYEF-CYBMUJFWSA-N 1 1 254.333 3.063 20 30 CGEDMO C#CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccccc2CC)C1 ZINC000829774274 633780607 /nfs/dbraw/zinc/78/06/07/633780607.db2.gz OLPAZYOHKIRNPV-HOTGVXAUSA-N 1 1 298.430 3.311 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2csc(CCC)n2)C1 ZINC000829773370 633780711 /nfs/dbraw/zinc/78/07/11/633780711.db2.gz DNLNMJPTZDRZHL-ZDUSSCGKSA-N 1 1 262.422 3.331 20 30 CGEDMO C#CC[C@@H]1CCC[N@@H+](Cc2csc([C@@H](C)OCC)n2)C1 ZINC000829784723 633783772 /nfs/dbraw/zinc/78/37/72/633783772.db2.gz MEPVYBJBDBFEBR-ZIAGYGMSSA-N 1 1 292.448 3.476 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2csc([C@@H](C)OCC)n2)C1 ZINC000829784723 633783790 /nfs/dbraw/zinc/78/37/90/633783790.db2.gz MEPVYBJBDBFEBR-ZIAGYGMSSA-N 1 1 292.448 3.476 20 30 CGEDMO C#CC[C@H]1CCC[N@H+]([C@H](CCOC)c2ccccc2)C1 ZINC000829805259 633790265 /nfs/dbraw/zinc/79/02/65/633790265.db2.gz RQJCNILTCYJAHS-FUHWJXTLSA-N 1 1 271.404 3.500 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000829810612 633793014 /nfs/dbraw/zinc/79/30/14/633793014.db2.gz RWEFALPEVDVHHL-HNNXBMFYSA-N 1 1 264.372 3.470 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](C[C@@]2(C)CC2(Cl)Cl)C1 ZINC000829815204 633795457 /nfs/dbraw/zinc/79/54/57/633795457.db2.gz HDDDJJIXXPATLM-NWDGAFQWSA-N 1 1 260.208 3.306 20 30 CGEDMO C#CC1CC[NH+]([C@@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000830326151 633850383 /nfs/dbraw/zinc/85/03/83/633850383.db2.gz DIZLDAQKCSBUSG-AWEZNQCLSA-N 1 1 295.386 3.067 20 30 CGEDMO C#CC1CC[NH+]([C@H](C)c2noc(-c3ccccc3)n2)CC1 ZINC000830345935 633854032 /nfs/dbraw/zinc/85/40/32/633854032.db2.gz ZVCSVKWVQDLCIQ-CYBMUJFWSA-N 1 1 281.359 3.143 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](O)[C@@H]1CCc1ccccc1 ZINC000830396796 633859279 /nfs/dbraw/zinc/85/92/79/633859279.db2.gz UEFPAHFXXCGKHO-HOTGVXAUSA-N 1 1 279.811 3.197 20 30 CGEDMO C[N@@H+](Cc1cc(Cl)ccc1OCC#N)C(C)(C)C ZINC000830546376 633870283 /nfs/dbraw/zinc/87/02/83/633870283.db2.gz XBGCUFRYFZPETC-UHFFFAOYSA-N 1 1 266.772 3.473 20 30 CGEDMO CCCCCCCC[N@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000830817992 633890591 /nfs/dbraw/zinc/89/05/91/633890591.db2.gz JZPAMVOUEZNJGO-ZACQAIPSSA-N 1 1 283.456 3.209 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CCC[C@@H](F)C2)cc1 ZINC000846119395 636147611 /nfs/dbraw/zinc/14/76/11/636147611.db2.gz DUNSBZRMULWDOZ-OAHLLOKOSA-N 1 1 261.340 3.023 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@@H](F)C2)cc1 ZINC000846119395 636147614 /nfs/dbraw/zinc/14/76/14/636147614.db2.gz DUNSBZRMULWDOZ-OAHLLOKOSA-N 1 1 261.340 3.023 20 30 CGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2cscc2C)no1 ZINC000872181078 634080372 /nfs/dbraw/zinc/08/03/72/634080372.db2.gz XODURZHRMIAWCZ-SECBINFHSA-N 1 1 269.757 3.249 20 30 CGEDMO C[N@H+]1CCCC(N=Nc2cc(Cl)ccc2F)CC1 ZINC000872418163 634141312 /nfs/dbraw/zinc/14/13/12/634141312.db2.gz DQBBBHPSWBOAGP-UHFFFAOYSA-N 1 1 269.751 3.363 20 30 CGEDMO Cc1cccc2sc(N=NC3CCC[N@H+](C)CC3)nc21 ZINC000872419845 634142268 /nfs/dbraw/zinc/14/22/68/634142268.db2.gz XVIMVFCBPQVOTN-UHFFFAOYSA-N 1 1 288.420 3.488 20 30 CGEDMO Cc1cc2ncn(C[N@@H+](C)[C@@H]3CCC[C@H]3C#N)c2cc1C ZINC000872681333 634186106 /nfs/dbraw/zinc/18/61/06/634186106.db2.gz HCUDGOIUQOSUOM-GOEBONIOSA-N 1 1 282.391 3.235 20 30 CGEDMO Cc1cc2ncn(C[N@H+](C)[C@@H]3CCC[C@H]3C#N)c2cc1C ZINC000872681333 634186108 /nfs/dbraw/zinc/18/61/08/634186108.db2.gz HCUDGOIUQOSUOM-GOEBONIOSA-N 1 1 282.391 3.235 20 30 CGEDMO C=CCCc1noc(C[N@@H+](C)CCCCCC)n1 ZINC000834815915 634246522 /nfs/dbraw/zinc/24/65/22/634246522.db2.gz ZWDCJLWUGAXCKB-UHFFFAOYSA-N 1 1 251.374 3.200 20 30 CGEDMO C=CCCc1noc(C[N@H+](C)CCCCCC)n1 ZINC000834815915 634246526 /nfs/dbraw/zinc/24/65/26/634246526.db2.gz ZWDCJLWUGAXCKB-UHFFFAOYSA-N 1 1 251.374 3.200 20 30 CGEDMO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@H]1CCn2ccnc21 ZINC000834831610 634251769 /nfs/dbraw/zinc/25/17/69/634251769.db2.gz KQYJTVJZPPVNFQ-SJORKVTESA-N 1 1 292.386 3.257 20 30 CGEDMO CC(C)C[N@@H+](Cc1cc(C#N)cnc1Cl)C(C)C ZINC000876611762 634867882 /nfs/dbraw/zinc/86/78/82/634867882.db2.gz QTDSPLBHZHWSMZ-UHFFFAOYSA-N 1 1 265.788 3.473 20 30 CGEDMO CC[N@@H+](Cc1cc2c(ccnc2Cl)o1)C[C@H](C)C#N ZINC000876617922 634869160 /nfs/dbraw/zinc/86/91/60/634869160.db2.gz XBNNVJAHJOQKDP-SNVBAGLBSA-N 1 1 277.755 3.463 20 30 CGEDMO CC[N@H+](Cc1cc2c(ccnc2Cl)o1)C[C@H](C)C#N ZINC000876617922 634869164 /nfs/dbraw/zinc/86/91/64/634869164.db2.gz XBNNVJAHJOQKDP-SNVBAGLBSA-N 1 1 277.755 3.463 20 30 CGEDMO CCCCCCCC[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000876897047 634923598 /nfs/dbraw/zinc/92/35/98/634923598.db2.gz FQXBWSSMNGIXHE-UHFFFAOYSA-N 1 1 284.488 3.172 20 30 CGEDMO C#CCCCCCC[NH2+]C1CCN(C(C)C)CC1 ZINC000876906747 634926113 /nfs/dbraw/zinc/92/61/13/634926113.db2.gz HIJXLFUTJYQPIG-UHFFFAOYSA-N 1 1 250.430 3.033 20 30 CGEDMO C=CC[C@@H]([NH2+]Cc1cc(OC)cnc1F)c1ccncc1 ZINC000877047122 634962247 /nfs/dbraw/zinc/96/22/47/634962247.db2.gz XLPHTCVNSFQUAB-OAHLLOKOSA-N 1 1 287.338 3.031 20 30 CGEDMO C=CCC(F)(F)C(=O)OC[C@H]1CCCC[N@@H+]1C(C)C ZINC000837745822 634978365 /nfs/dbraw/zinc/97/83/65/634978365.db2.gz XJORSWNFVUPKCN-GFCCVEGCSA-N 1 1 275.339 3.004 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000877479070 635052356 /nfs/dbraw/zinc/05/23/56/635052356.db2.gz RNDXHUYYZHWPHE-UONOGXRCSA-N 1 1 291.357 3.205 20 30 CGEDMO C#CCCCCCC[N@@H+]1CC[C@H](N2CCCC2)[C@@H]1C ZINC000877521879 635070800 /nfs/dbraw/zinc/07/08/00/635070800.db2.gz JYQDKUMOJWRFQD-IRXDYDNUSA-N 1 1 262.441 3.129 20 30 CGEDMO C#CCCCCCCN1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000877521879 635070804 /nfs/dbraw/zinc/07/08/04/635070804.db2.gz JYQDKUMOJWRFQD-IRXDYDNUSA-N 1 1 262.441 3.129 20 30 CGEDMO CCOc1cc(F)cc(C[N@@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000877622278 635117658 /nfs/dbraw/zinc/11/76/58/635117658.db2.gz JYBFRHCWHXDJLN-ZDUSSCGKSA-N 1 1 276.355 3.350 20 30 CGEDMO CCOc1cc(F)cc(C[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000877622278 635117659 /nfs/dbraw/zinc/11/76/59/635117659.db2.gz JYBFRHCWHXDJLN-ZDUSSCGKSA-N 1 1 276.355 3.350 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC[C@@H](O)C[C@H]2c2ccccc2)cc1 ZINC000877672308 635140955 /nfs/dbraw/zinc/14/09/55/635140955.db2.gz BGRYQTMNVMNNLR-UXHICEINSA-N 1 1 291.394 3.366 20 30 CGEDMO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)c1ccc(C#N)cc1 ZINC000126672447 635154330 /nfs/dbraw/zinc/15/43/30/635154330.db2.gz LHSCUWNFIFNDAF-XJKSGUPXSA-N 1 1 286.375 3.037 20 30 CGEDMO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@@H](C)c1ccc(C#N)cc1 ZINC000126672447 635154331 /nfs/dbraw/zinc/15/43/31/635154331.db2.gz LHSCUWNFIFNDAF-XJKSGUPXSA-N 1 1 286.375 3.037 20 30 CGEDMO CC(C)Cn1nccc1C[N@@H+](C)CCc1cccc(C#N)c1 ZINC000877705091 635156647 /nfs/dbraw/zinc/15/66/47/635156647.db2.gz RYYOPVRGKRDHLT-UHFFFAOYSA-N 1 1 296.418 3.085 20 30 CGEDMO CC[C@H]1C[C@H](C[N@@H+](C)CCc2cccc(C#N)c2)CCO1 ZINC000877704969 635157298 /nfs/dbraw/zinc/15/72/98/635157298.db2.gz YUFYCNFINPPZQD-MSOLQXFVSA-N 1 1 286.419 3.238 20 30 CGEDMO CC([NH2+]Nc1cccc(F)c1[N+](=O)[O-])=C1CC1(F)F ZINC000841636917 635205242 /nfs/dbraw/zinc/20/52/42/635205242.db2.gz QANCAXZECQJRQG-SSDOTTSWSA-N 1 1 273.214 3.177 20 30 CGEDMO CC(NNc1cccc(Br)[nH+]1)=C1CC1(F)F ZINC000841643197 635207297 /nfs/dbraw/zinc/20/72/97/635207297.db2.gz JWOYWPNNTFOZNS-SSDOTTSWSA-N 1 1 290.111 3.287 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)O[C@@H](C)C2)cc1 ZINC000877820074 635224197 /nfs/dbraw/zinc/22/41/97/635224197.db2.gz GIBZQKZQDWBNBL-SWLSCSKDSA-N 1 1 297.320 3.210 20 30 CGEDMO COc1ccc(C(N)=[NH+]OC[C@@H]2CCCCC2(F)F)cc1 ZINC000842020445 635256631 /nfs/dbraw/zinc/25/66/31/635256631.db2.gz BAWISWQWSLIDHQ-LBPRGKRZSA-N 1 1 298.333 3.158 20 30 CGEDMO C=CC[C@@H](C)[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000878041474 635333578 /nfs/dbraw/zinc/33/35/78/635333578.db2.gz MOYCRODIPMOEBG-IAQYHMDHSA-N 1 1 267.319 3.303 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000878041474 635333583 /nfs/dbraw/zinc/33/35/83/635333583.db2.gz MOYCRODIPMOEBG-IAQYHMDHSA-N 1 1 267.319 3.303 20 30 CGEDMO CC[C@H](C)C[N@@H+](C)CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000878093115 635352922 /nfs/dbraw/zinc/35/29/22/635352922.db2.gz FMYCEZZNXCPUHR-YJBOKZPZSA-N 1 1 286.419 3.405 20 30 CGEDMO CC(C)[C@H](O)CC[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000878154075 635382956 /nfs/dbraw/zinc/38/29/56/635382956.db2.gz UMBYWPFVSIMJBI-FGTMMUONSA-N 1 1 286.419 3.165 20 30 CGEDMO C#CCCCCCN1CC[N@H+](C)CC12CCCCC2 ZINC000878168728 635391911 /nfs/dbraw/zinc/39/19/11/635391911.db2.gz GDAIJFNXYJNOJJ-UHFFFAOYSA-N 1 1 262.441 3.130 20 30 CGEDMO C#CCCS[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000842618277 635421524 /nfs/dbraw/zinc/42/15/24/635421524.db2.gz MSHFUDBIDUYOPW-INIZCTEOSA-N 1 1 259.418 3.408 20 30 CGEDMO C#CC[C@@H]([NH2+]Cc1nccn1CC(F)F)c1ccccc1 ZINC000878362774 635475425 /nfs/dbraw/zinc/47/54/25/635475425.db2.gz HSFXYKZPIHDHIG-CQSZACIVSA-N 1 1 289.329 3.002 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@H+]1CCC=C(C)C1)c1ccccc1 ZINC000878548053 635552037 /nfs/dbraw/zinc/55/20/37/635552037.db2.gz FHOHRMQHBBKSEW-GOSISDBHSA-N 1 1 282.387 3.079 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000878563052 635557306 /nfs/dbraw/zinc/55/73/06/635557306.db2.gz KTUTXVIOCRFAAO-BBRMVZONSA-N 1 1 282.428 3.188 20 30 CGEDMO C#CCCCCC[N@H+](CC(=C)C)Cc1ccc(CO)o1 ZINC000878607155 635568380 /nfs/dbraw/zinc/56/83/80/635568380.db2.gz SMYDOPYINKELGI-UHFFFAOYSA-N 1 1 275.392 3.344 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000878795622 635630490 /nfs/dbraw/zinc/63/04/90/635630490.db2.gz SYVZHKVGKGXPEG-CYBMUJFWSA-N 1 1 293.411 3.038 20 30 CGEDMO Cc1cc(C[NH2+][C@@H](C)CC#N)ccc1N1CCCCC1 ZINC000878821277 635637158 /nfs/dbraw/zinc/63/71/58/635637158.db2.gz VVDWXAIKXJPRGB-HNNXBMFYSA-N 1 1 271.408 3.377 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(C)cc2OC)C1 ZINC000843422388 635666117 /nfs/dbraw/zinc/66/61/17/635666117.db2.gz FAQNSOBWUHIFQU-OAHLLOKOSA-N 1 1 257.377 3.239 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc(F)cc(OC)c2)C1 ZINC000843423344 635666489 /nfs/dbraw/zinc/66/64/89/635666489.db2.gz MLQNEOOGFWIAHK-CYBMUJFWSA-N 1 1 261.340 3.070 20 30 CGEDMO CC1(C)CCC[C@@H](C[N@H+]2CCc3c(CC#N)cccc3C2)O1 ZINC000879064624 635692751 /nfs/dbraw/zinc/69/27/51/635692751.db2.gz KWGACCKAIRQDIQ-KRWDZBQOSA-N 1 1 298.430 3.458 20 30 CGEDMO N#CCc1cccc2c1CC[N@@H+](C[C@H]1CCC3(CCC3)O1)C2 ZINC000879065764 635694495 /nfs/dbraw/zinc/69/44/95/635694495.db2.gz XCTYEHQTODROGX-QGZVFWFLSA-N 1 1 296.414 3.212 20 30 CGEDMO C#CC[N@@H+](Cc1cnn(CCC)c1)[C@@H]1CCc2ccccc21 ZINC000127546673 635715268 /nfs/dbraw/zinc/71/52/68/635715268.db2.gz IRGKBDAKRFSQKB-LJQANCHMSA-N 1 1 293.414 3.416 20 30 CGEDMO C#CC[N@H+](Cc1cnn(CCC)c1)[C@@H]1CCc2ccccc21 ZINC000127546673 635715275 /nfs/dbraw/zinc/71/52/75/635715275.db2.gz IRGKBDAKRFSQKB-LJQANCHMSA-N 1 1 293.414 3.416 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2[C@@H](O)c2ccccc2)cc1 ZINC000879241217 635731635 /nfs/dbraw/zinc/73/16/35/635731635.db2.gz RXFJLZSLIMEXBI-OALUTQOASA-N 1 1 292.382 3.256 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000879314032 635753938 /nfs/dbraw/zinc/75/39/38/635753938.db2.gz PQZRQMGDBMXWMB-DOTOQJQBSA-N 1 1 286.419 3.150 20 30 CGEDMO C=CCCCC[N@@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879500106 635799573 /nfs/dbraw/zinc/79/95/73/635799573.db2.gz OTYCXSIQGFTYOQ-MRXNPFEDSA-N 1 1 271.408 3.222 20 30 CGEDMO C=CCCC[N@@H+]1CCO[C@@H](c2ccccc2OC)C1 ZINC000879634657 635823783 /nfs/dbraw/zinc/82/37/83/635823783.db2.gz ZSTFLMMUHKJCGO-MRXNPFEDSA-N 1 1 261.365 3.035 20 30 CGEDMO C=CCCC[N@H+]1CCO[C@@H](c2ccccc2OC)C1 ZINC000879634657 635823786 /nfs/dbraw/zinc/82/37/86/635823786.db2.gz ZSTFLMMUHKJCGO-MRXNPFEDSA-N 1 1 261.365 3.035 20 30 CGEDMO C[N@@H+](C[C@@H](O)c1cccc(C#N)c1)[C@H]1C=CCCCCC1 ZINC000844370761 635882831 /nfs/dbraw/zinc/88/28/31/635882831.db2.gz JDADALWTUUEFMH-ZWKOTPCHSA-N 1 1 284.403 3.412 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000844371999 635882925 /nfs/dbraw/zinc/88/29/25/635882925.db2.gz SDWLNTWLVNBFCD-OAHLLOKOSA-N 1 1 265.784 3.200 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@H](c2cc(C(C)C)n[nH]2)C1 ZINC000879919780 635883257 /nfs/dbraw/zinc/88/32/57/635883257.db2.gz TUOGHMBUCNBZEG-AWEZNQCLSA-N 1 1 259.397 3.126 20 30 CGEDMO CC#CCC[N@@H+]1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000879919780 635883261 /nfs/dbraw/zinc/88/32/61/635883261.db2.gz TUOGHMBUCNBZEG-AWEZNQCLSA-N 1 1 259.397 3.126 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000879919780 635883262 /nfs/dbraw/zinc/88/32/62/635883262.db2.gz TUOGHMBUCNBZEG-AWEZNQCLSA-N 1 1 259.397 3.126 20 30 CGEDMO C[N@@H+](C[C@H](O)c1cccc(C#N)c1)CC12CCC(CC1)C2 ZINC000844372058 635883840 /nfs/dbraw/zinc/88/38/40/635883840.db2.gz UNOIETMGLUWXTA-GMXGEUMGSA-N 1 1 284.403 3.104 20 30 CGEDMO CCc1cccc(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)c1 ZINC000844372093 635883899 /nfs/dbraw/zinc/88/38/99/635883899.db2.gz UXBGYQLNELFQRO-LJQANCHMSA-N 1 1 294.398 3.286 20 30 CGEDMO C[C@@]1(C(F)(F)F)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000880002462 635894804 /nfs/dbraw/zinc/89/48/04/635894804.db2.gz KWOWESFAMBLSMI-CQSZACIVSA-N 1 1 285.284 3.452 20 30 CGEDMO C[C@@]1(C(F)(F)F)CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000880002462 635894807 /nfs/dbraw/zinc/89/48/07/635894807.db2.gz KWOWESFAMBLSMI-CQSZACIVSA-N 1 1 285.284 3.452 20 30 CGEDMO C[C@]1(C(F)(F)F)CC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000880000514 635895482 /nfs/dbraw/zinc/89/54/82/635895482.db2.gz MHOSIAMLRDDAKM-AWEZNQCLSA-N 1 1 298.308 3.211 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000880001787 635895654 /nfs/dbraw/zinc/89/56/54/635895654.db2.gz BHPIGGPXXUJXPJ-AWEZNQCLSA-N 1 1 298.308 3.341 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@]3(CC3(F)F)C2)ccc1F ZINC000844437950 635900712 /nfs/dbraw/zinc/90/07/12/635900712.db2.gz MKUZNDYWFIFOTJ-AWEZNQCLSA-N 1 1 280.293 3.319 20 30 CGEDMO C#CCC[N@@H+]1CCCSC[C@H]1c1ccccc1OC ZINC000880176661 635928407 /nfs/dbraw/zinc/92/84/07/635928407.db2.gz RFFAFNOFNKXLTQ-HNNXBMFYSA-N 1 1 275.417 3.199 20 30 CGEDMO C=C[C@@H](C)ON=C(C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000844621707 635944232 /nfs/dbraw/zinc/94/42/32/635944232.db2.gz LMBOSSCNAPASFN-GFCCVEGCSA-N 1 1 269.348 3.496 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)CN1C(=O)CC12CCCC2 ZINC000844690055 635954628 /nfs/dbraw/zinc/95/46/28/635954628.db2.gz XRPLHGUPMNWVJC-UHFFFAOYSA-N 1 1 298.430 3.220 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)CN1C(=O)CC12CCCC2 ZINC000844690055 635954632 /nfs/dbraw/zinc/95/46/32/635954632.db2.gz XRPLHGUPMNWVJC-UHFFFAOYSA-N 1 1 298.430 3.220 20 30 CGEDMO CCCC(N)=[NH+]OCc1csc(Cc2ccccc2)n1 ZINC000105606012 635959328 /nfs/dbraw/zinc/95/93/28/635959328.db2.gz LTYLQVLKBCQMGZ-UHFFFAOYSA-N 1 1 289.404 3.323 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCCSC[C@H]1c1ccccc1 ZINC000880388677 635991584 /nfs/dbraw/zinc/99/15/84/635991584.db2.gz TXSUVHIVDMVIMN-ZBFHGGJFSA-N 1 1 290.432 3.095 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)Cc2cccc3c2CCC3)n1 ZINC000845965922 636125043 /nfs/dbraw/zinc/12/50/43/636125043.db2.gz UVHXZKFBQHURRS-UHFFFAOYSA-N 1 1 293.414 3.027 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)Cc2cccc3c2CCC3)n1 ZINC000845965922 636125045 /nfs/dbraw/zinc/12/50/45/636125045.db2.gz UVHXZKFBQHURRS-UHFFFAOYSA-N 1 1 293.414 3.027 20 30 CGEDMO C#CCCOc1ccc(C[N@H+](CC)[C@H]2CCCOC2)cc1 ZINC000846053249 636139113 /nfs/dbraw/zinc/13/91/13/636139113.db2.gz TZJPKPIQHQOKIO-KRWDZBQOSA-N 1 1 287.403 3.090 20 30 CGEDMO N#CCCCOc1cccc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000846109152 636144797 /nfs/dbraw/zinc/14/47/97/636144797.db2.gz CDMILWMELWTZTE-GASCZTMLSA-N 1 1 292.329 3.066 20 30 CGEDMO Cc1ccccc1-c1noc([C@H]([NH3+])CCCCC#N)n1 ZINC000846770323 636235222 /nfs/dbraw/zinc/23/52/22/636235222.db2.gz AJQYRFJZXMYMRP-CYBMUJFWSA-N 1 1 270.336 3.129 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1ccc2nonc2c1 ZINC000846846623 636258279 /nfs/dbraw/zinc/25/82/79/636258279.db2.gz CHRTXMGCBIBLIQ-UHFFFAOYSA-N 1 1 283.331 3.047 20 30 CGEDMO N#Cc1cc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)ccc1C1CC1 ZINC000882310407 636310062 /nfs/dbraw/zinc/31/00/62/636310062.db2.gz ITUILHSTRIWIQW-QGZVFWFLSA-N 1 1 295.386 3.001 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cscc2Br)C1 ZINC000847019977 636313001 /nfs/dbraw/zinc/31/30/01/636313001.db2.gz UDZHYOBOYWCXKT-SNVBAGLBSA-N 1 1 284.222 3.356 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cscc2Br)C1 ZINC000847019977 636313003 /nfs/dbraw/zinc/31/30/03/636313003.db2.gz UDZHYOBOYWCXKT-SNVBAGLBSA-N 1 1 284.222 3.356 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(-c3cccs3)no2)C1 ZINC000847022659 636313593 /nfs/dbraw/zinc/31/35/93/636313593.db2.gz IMOJPSNFZFSTFH-NWDGAFQWSA-N 1 1 287.388 3.204 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@@H](C)c2nc(-c3cccs3)no2)C1 ZINC000847022659 636313601 /nfs/dbraw/zinc/31/36/01/636313601.db2.gz IMOJPSNFZFSTFH-NWDGAFQWSA-N 1 1 287.388 3.204 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000847021678 636313612 /nfs/dbraw/zinc/31/36/12/636313612.db2.gz AKWYCEBBFLQWJY-CYBMUJFWSA-N 1 1 290.794 3.014 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc3ccccc3c2)C1 ZINC000847027102 636317264 /nfs/dbraw/zinc/31/72/64/636317264.db2.gz SDYDLWVEPPSEOS-OAHLLOKOSA-N 1 1 292.382 3.124 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc3ccccc3c2)C1 ZINC000847027102 636317269 /nfs/dbraw/zinc/31/72/69/636317269.db2.gz SDYDLWVEPPSEOS-OAHLLOKOSA-N 1 1 292.382 3.124 20 30 CGEDMO COc1cc(F)cc(N=NC2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000848407607 636568194 /nfs/dbraw/zinc/56/81/94/636568194.db2.gz RXVPEDNZJTTWBQ-MRXNPFEDSA-N 1 1 291.370 3.251 20 30 CGEDMO Clc1ccc(N=NC2CCC[N@H+]3CCCC[C@@H]23)cn1 ZINC000848406963 636568839 /nfs/dbraw/zinc/56/88/39/636568839.db2.gz SWLYELHQPLFKLL-ZDUSSCGKSA-N 1 1 278.787 3.151 20 30 CGEDMO C=CCC[C@H]([NH2+]C1CCN(C(C)(C)C)CC1)[C@H]1CCCO1 ZINC000883201184 636582307 /nfs/dbraw/zinc/58/23/07/636582307.db2.gz ZWBLNVOZMMBDMP-DLBZAZTESA-N 1 1 294.483 3.353 20 30 CGEDMO CCC(CC)c1noc([C@H]([NH3+])CCCCC#N)n1 ZINC000848621686 636621415 /nfs/dbraw/zinc/62/14/15/636621415.db2.gz ONNDZHKIJANTTF-LLVKDONJSA-N 1 1 250.346 3.057 20 30 CGEDMO CC(C)(c1noc([C@@H]([NH3+])CCCCC#N)n1)c1ccccc1 ZINC000848626206 636623536 /nfs/dbraw/zinc/62/35/36/636623536.db2.gz DOODOBJJNMNVNO-AWEZNQCLSA-N 1 1 298.390 3.479 20 30 CGEDMO COc1cccc2c1OCCC[C@H]2[NH2+]Cc1ccc(C#N)o1 ZINC000883329590 636678085 /nfs/dbraw/zinc/67/80/85/636678085.db2.gz ODGZRZIWYNATDM-OAHLLOKOSA-N 1 1 298.342 3.163 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000848922982 636693700 /nfs/dbraw/zinc/69/37/00/636693700.db2.gz AUBDAEPOIRVUEN-GFCCVEGCSA-N 1 1 295.329 3.142 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000848923737 636695001 /nfs/dbraw/zinc/69/50/01/636695001.db2.gz IYEKOVZILRFKNS-NSHDSACASA-N 1 1 283.293 3.256 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000848923737 636695012 /nfs/dbraw/zinc/69/50/12/636695012.db2.gz IYEKOVZILRFKNS-NSHDSACASA-N 1 1 283.293 3.256 20 30 CGEDMO C#C[C@H]1CCC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000848924273 636695257 /nfs/dbraw/zinc/69/52/57/636695257.db2.gz OZJMODHYPBEWLQ-IOBAAEILSA-N 1 1 268.404 3.111 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2conc2Cc2ccccc2)C1 ZINC000848924310 636695335 /nfs/dbraw/zinc/69/53/35/636695335.db2.gz PQLNURCOGPOYAV-HNNXBMFYSA-N 1 1 280.371 3.111 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000848924342 636695541 /nfs/dbraw/zinc/69/55/41/636695541.db2.gz QKVCRTHNEOKKRP-GFCCVEGCSA-N 1 1 257.308 3.417 20 30 CGEDMO Cc1[nH]ncc1C[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000848992371 636706902 /nfs/dbraw/zinc/70/69/02/636706902.db2.gz RPLQCFTVLTZIPY-UHFFFAOYSA-N 1 1 297.406 3.172 20 30 CGEDMO CC(C)CC(N)=[NH+]OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000132080528 636780402 /nfs/dbraw/zinc/78/04/02/636780402.db2.gz NFFVEABOKGFMMV-UHFFFAOYSA-N 1 1 285.731 3.083 20 30 CGEDMO CC[N@H+](Cc1cccs1)C[C@H](O)CC1(C#N)CCC1 ZINC000885933530 637319767 /nfs/dbraw/zinc/31/97/67/637319767.db2.gz WVCNLHZYOMKLJT-CYBMUJFWSA-N 1 1 278.421 3.015 20 30 CGEDMO CC[N@H+](Cc1ccc(C)cc1)C[C@H](O)CC1(C#N)CCC1 ZINC000885969468 637337599 /nfs/dbraw/zinc/33/75/99/637337599.db2.gz SXECITXTPGQOCX-QGZVFWFLSA-N 1 1 286.419 3.262 20 30 CGEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1C[C@]12CCOC2 ZINC000885970790 637337656 /nfs/dbraw/zinc/33/76/56/637337656.db2.gz KLGWGCQMYWSNDB-MOPGFXCFSA-N 1 1 298.430 3.443 20 30 CGEDMO CCS[C@@H]1CCCC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886005692 637355542 /nfs/dbraw/zinc/35/55/42/637355542.db2.gz IBARTWIYMZPJFJ-LSDHHAIUSA-N 1 1 296.480 3.039 20 30 CGEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@]3(CC=CCC3)C2)CCC1 ZINC000886011049 637358729 /nfs/dbraw/zinc/35/87/29/637358729.db2.gz VATKYAKPALVHIW-DLBZAZTESA-N 1 1 288.435 3.254 20 30 CGEDMO CCC[C@@H]1CCCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886134583 637430095 /nfs/dbraw/zinc/43/00/95/637430095.db2.gz WPKXCXCLWYIMRL-HUUCEWRRSA-N 1 1 264.413 3.086 20 30 CGEDMO C=CC[C@@H]1[N@H+](C[C@@H]2C[C@]23CCOC3)CCCC1(C)C ZINC000886173590 637447872 /nfs/dbraw/zinc/44/78/72/637447872.db2.gz UEHUSWAPYJJYAZ-ZOBUZTSGSA-N 1 1 263.425 3.480 20 30 CGEDMO CC[N@@H+](C[C@@H](O)c1ccccn1)[C@H](C)c1ccc(C#N)cc1 ZINC000851735854 637484305 /nfs/dbraw/zinc/48/43/05/637484305.db2.gz JDFSFYAXMUHNSN-RDTXWAMCSA-N 1 1 295.386 3.070 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000886355748 637511063 /nfs/dbraw/zinc/51/10/63/637511063.db2.gz NEVZSNPSVNUNNL-CYBMUJFWSA-N 1 1 290.794 3.014 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000886357429 637511862 /nfs/dbraw/zinc/51/18/62/637511862.db2.gz GRRYNLNWQZEHPF-CYBMUJFWSA-N 1 1 284.334 3.326 20 30 CGEDMO C#C[C@](C)(CC)[NH2+]Cc1ncc(-c2ccccc2)o1 ZINC000852098697 637592343 /nfs/dbraw/zinc/59/23/43/637592343.db2.gz UBBYNCMQBLMLMO-MRXNPFEDSA-N 1 1 254.333 3.233 20 30 CGEDMO C#C[C@](C)(CC)[NH2+][C@@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC000852100073 637594744 /nfs/dbraw/zinc/59/47/44/637594744.db2.gz SUZINYADWSPPAR-SUMWQHHRSA-N 1 1 283.375 3.498 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+]Cc1ccc(C#N)cc1Br ZINC000852101654 637595980 /nfs/dbraw/zinc/59/59/80/637595980.db2.gz SDAKKFOJJVRFBP-AWEZNQCLSA-N 1 1 291.192 3.212 20 30 CGEDMO CC/C=C\CC[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852332304 637636355 /nfs/dbraw/zinc/63/63/55/637636355.db2.gz QQBRUKUEXVGOTE-CWIOURORSA-N 1 1 269.392 3.295 20 30 CGEDMO CC/C=C\CC[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852332304 637636359 /nfs/dbraw/zinc/63/63/59/637636359.db2.gz QQBRUKUEXVGOTE-CWIOURORSA-N 1 1 269.392 3.295 20 30 CGEDMO N#C[C@]1(c2ccccn2)CCC[N@H+](Cc2ccccc2)C1 ZINC000852326354 637636832 /nfs/dbraw/zinc/63/68/32/637636832.db2.gz MUIINYCUPUNNBM-GOSISDBHSA-N 1 1 277.371 3.139 20 30 CGEDMO N#C[C@]1(c2ccccn2)CCC[N@@H+](Cc2ccccc2)C1 ZINC000852326354 637636835 /nfs/dbraw/zinc/63/68/35/637636835.db2.gz MUIINYCUPUNNBM-GOSISDBHSA-N 1 1 277.371 3.139 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(CF)cc1)[C@H](C)COC ZINC000852356646 637642051 /nfs/dbraw/zinc/64/20/51/637642051.db2.gz KPCZUWQRBXHNLQ-CYBMUJFWSA-N 1 1 251.345 3.179 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000852408807 637647678 /nfs/dbraw/zinc/64/76/78/637647678.db2.gz BAFRNLAAROSXMW-CQSZACIVSA-N 1 1 294.439 3.141 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000852427322 637653112 /nfs/dbraw/zinc/65/31/12/637653112.db2.gz WJCGDDJQIGUQIR-ZFWWWQNUSA-N 1 1 274.364 3.125 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000852427322 637653118 /nfs/dbraw/zinc/65/31/18/637653118.db2.gz WJCGDDJQIGUQIR-ZFWWWQNUSA-N 1 1 274.364 3.125 20 30 CGEDMO CSc1ccc(C[NH2+][C@@H](C)c2nccnc2C)cc1C#N ZINC000886690320 637654018 /nfs/dbraw/zinc/65/40/18/637654018.db2.gz UGCYZUJCSCONNJ-LBPRGKRZSA-N 1 1 298.415 3.229 20 30 CGEDMO CCC1([NH+]2CCC2)CCN(CCCC(C)(C)C#N)CC1 ZINC000886710560 637667655 /nfs/dbraw/zinc/66/76/55/637667655.db2.gz AKDMZVYYSRBRCR-UHFFFAOYSA-N 1 1 277.456 3.267 20 30 CGEDMO C[N@@H+](Cc1ccccc1O)Cc1cc(C#N)ccc1F ZINC000111235683 637803968 /nfs/dbraw/zinc/80/39/68/637803968.db2.gz IEWLKDBKOHIXJZ-UHFFFAOYSA-N 1 1 270.307 3.035 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000853597058 637871217 /nfs/dbraw/zinc/87/12/17/637871217.db2.gz PTARJPRWNKZASB-QGZVFWFLSA-N 1 1 270.376 3.007 20 30 CGEDMO N#Cc1ccc(CO[NH+]=C(N)CC2CC2)c(C(F)(F)F)c1 ZINC000853672441 637888594 /nfs/dbraw/zinc/88/85/94/637888594.db2.gz FHQDSZJZHWVRPF-UHFFFAOYSA-N 1 1 297.280 3.376 20 30 CGEDMO C#C[C@@H]1CCCN(c2cc(C(F)(F)F)cc(C)[nH+]2)C1 ZINC000853716525 637900415 /nfs/dbraw/zinc/90/04/15/637900415.db2.gz VMJGSDMPNUWWKI-LLVKDONJSA-N 1 1 268.282 3.258 20 30 CGEDMO C[C@@H](CC(C)(C)C#N)[NH2+][C@H](CCN(C)C)C(C)(C)C ZINC000925086301 638449002 /nfs/dbraw/zinc/44/90/02/638449002.db2.gz NAGKJOWFCMCGEN-UONOGXRCSA-N 1 1 267.461 3.271 20 30 CGEDMO C=CCC[C@H](CCC)[N@@H+]1CCc2sc(CN)nc2C1 ZINC000925750557 638596134 /nfs/dbraw/zinc/59/61/34/638596134.db2.gz JFWZPHCQWQWGRV-LBPRGKRZSA-N 1 1 279.453 3.095 20 30 CGEDMO C=CCC[C@H](CCC)[N@H+]1CCc2sc(CN)nc2C1 ZINC000925750557 638596138 /nfs/dbraw/zinc/59/61/38/638596138.db2.gz JFWZPHCQWQWGRV-LBPRGKRZSA-N 1 1 279.453 3.095 20 30 CGEDMO C[C@H](CC(C)(C)C#N)[NH2+]Cc1cc(COC(C)(C)C)on1 ZINC000926216272 638742978 /nfs/dbraw/zinc/74/29/78/638742978.db2.gz ISUGRDVIVGCDPG-GFCCVEGCSA-N 1 1 293.411 3.408 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cn2c(n1)CCCC2 ZINC000926551024 638784456 /nfs/dbraw/zinc/78/44/56/638784456.db2.gz QESXAPZRYWYYLF-LBPRGKRZSA-N 1 1 298.365 3.081 20 30 CGEDMO Cc1nc2c(o1)CCC[C@@H]2[NH2+]Cc1ccc(CC#N)cc1 ZINC000926629685 638792190 /nfs/dbraw/zinc/79/21/90/638792190.db2.gz ZTWLPGHOTJBGKN-HNNXBMFYSA-N 1 1 281.359 3.216 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000929298841 638917093 /nfs/dbraw/zinc/91/70/93/638917093.db2.gz XNNDEZMFGNIYRG-INIZCTEOSA-N 1 1 294.402 3.278 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000929298841 638917094 /nfs/dbraw/zinc/91/70/94/638917094.db2.gz XNNDEZMFGNIYRG-INIZCTEOSA-N 1 1 294.402 3.278 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000929298841 638917096 /nfs/dbraw/zinc/91/70/96/638917096.db2.gz XNNDEZMFGNIYRG-INIZCTEOSA-N 1 1 294.402 3.278 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1cnc(CC)o1 ZINC000929362411 638921274 /nfs/dbraw/zinc/92/12/74/638921274.db2.gz QHRKKQBIKLSPGW-UHFFFAOYSA-N 1 1 270.376 3.468 20 30 CGEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)Cc1cncc(C#N)c1 ZINC000929380578 638922721 /nfs/dbraw/zinc/92/27/21/638922721.db2.gz YZISSBOEHDZMKF-UHFFFAOYSA-N 1 1 290.370 3.236 20 30 CGEDMO COC/C(C)=C/C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000929379721 638922734 /nfs/dbraw/zinc/92/27/34/638922734.db2.gz GQCBIGIVWQQZBE-OQLLNIDSSA-N 1 1 272.392 3.361 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+](C)[C@@H](CO)c1ccccc1 ZINC000929506332 638929561 /nfs/dbraw/zinc/92/95/61/638929561.db2.gz ZAOLVZFZAOOTNZ-IBGZPJMESA-N 1 1 294.398 3.341 20 30 CGEDMO CC[C@H](C)[C@H](C)[N@@H+](Cc1cncc(C#N)c1)C1CC1 ZINC000929528154 638930676 /nfs/dbraw/zinc/93/06/76/638930676.db2.gz ABVZTTTVBMOQLC-STQMWFEESA-N 1 1 257.381 3.352 20 30 CGEDMO CC(C)(C)C[N@@H+](CCO)Cc1cc(Cl)cc(C#N)c1 ZINC000929596525 638933156 /nfs/dbraw/zinc/93/31/56/638933156.db2.gz SEELBQTYEJGWCV-UHFFFAOYSA-N 1 1 280.799 3.052 20 30 CGEDMO CCS[C@@H]1CCCC[N@@H+](Cc2cncc(C#N)c2)C1 ZINC000929624611 638935614 /nfs/dbraw/zinc/93/56/14/638935614.db2.gz RTMTVDYXEKYBKP-OAHLLOKOSA-N 1 1 275.421 3.061 20 30 CGEDMO Cc1cccc([C@@H]2CCCCC[N@H+]2C[C@H](O)CC#N)c1 ZINC000929672100 638939376 /nfs/dbraw/zinc/93/93/76/638939376.db2.gz HSAALBPKIVOGNW-SJORKVTESA-N 1 1 272.392 3.187 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000929782309 638951026 /nfs/dbraw/zinc/95/10/26/638951026.db2.gz LRCPZXMQOTXAFP-NVXWUHKLSA-N 1 1 285.435 3.090 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000929782309 638951033 /nfs/dbraw/zinc/95/10/33/638951033.db2.gz LRCPZXMQOTXAFP-NVXWUHKLSA-N 1 1 285.435 3.090 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000929782309 638951034 /nfs/dbraw/zinc/95/10/34/638951034.db2.gz LRCPZXMQOTXAFP-NVXWUHKLSA-N 1 1 285.435 3.090 20 30 CGEDMO CSCC[C@@H](C)[N@@H+](C)CC1CCC(C#N)CC1 ZINC000929987001 638966761 /nfs/dbraw/zinc/96/67/61/638966761.db2.gz MLMYLBWZQOSFCB-IYXRBSQSSA-N 1 1 254.443 3.390 20 30 CGEDMO Cn1ccnc1[C@H]1CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000930094246 638973887 /nfs/dbraw/zinc/97/38/87/638973887.db2.gz GFQWTULDIFQINI-HNNXBMFYSA-N 1 1 286.423 3.074 20 30 CGEDMO C[N@@H+](CCCCC1(C#N)CCC1)[C@H]1CCSC1 ZINC000930095576 638973985 /nfs/dbraw/zinc/97/39/85/638973985.db2.gz YKZGFXSUWHCJHC-ZDUSSCGKSA-N 1 1 252.427 3.288 20 30 CGEDMO C[C@@H](c1cccnc1)[N@@H+](C)CC1CCC(C#N)CC1 ZINC000930118683 638975751 /nfs/dbraw/zinc/97/57/51/638975751.db2.gz HWVBLOYRJDBENW-NFOMZHRRSA-N 1 1 257.381 3.404 20 30 CGEDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000930267087 638987160 /nfs/dbraw/zinc/98/71/60/638987160.db2.gz GAMNTZJKOBRXPF-HOTGVXAUSA-N 1 1 278.440 3.476 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000930455892 639001384 /nfs/dbraw/zinc/00/13/84/639001384.db2.gz BRQZRRVJJOTGBT-WMZOPIPTSA-N 1 1 297.446 3.234 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000930455892 639001392 /nfs/dbraw/zinc/00/13/92/639001392.db2.gz BRQZRRVJJOTGBT-WMZOPIPTSA-N 1 1 297.446 3.234 20 30 CGEDMO C[C@H]1C[N@@H+](CC2CCC(C#N)CC2)CCC1(F)F ZINC000930513503 639016476 /nfs/dbraw/zinc/01/64/76/639016476.db2.gz NCJGJWAZYDVHTM-HIFPTAJRSA-N 1 1 256.340 3.293 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C[C@H]1C ZINC000930638716 639043326 /nfs/dbraw/zinc/04/33/26/639043326.db2.gz ONFBUOGFZPFKKV-ABAIWWIYSA-N 1 1 278.783 3.068 20 30 CGEDMO Cc1ccc(C[N@H+](C)Cc2cncc(C#N)c2)cc1C ZINC000930668756 639050687 /nfs/dbraw/zinc/05/06/87/639050687.db2.gz ICGNZHQOFVLJCF-UHFFFAOYSA-N 1 1 265.360 3.202 20 30 CGEDMO N#CC1CCC(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)CC1 ZINC000930715351 639058594 /nfs/dbraw/zinc/05/85/94/639058594.db2.gz PZPSUWBVHOKHRC-MUDYYLEHSA-N 1 1 284.403 3.124 20 30 CGEDMO Cc1ccc(C[N@H+](Cc2cncc(C#N)c2)CC2CC2)cn1 ZINC000930815652 639070937 /nfs/dbraw/zinc/07/09/37/639070937.db2.gz DYCVMRKAOLJAJD-UHFFFAOYSA-N 1 1 292.386 3.069 20 30 CGEDMO CC[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)[C@@H](C)CO1 ZINC000930851905 639076336 /nfs/dbraw/zinc/07/63/36/639076336.db2.gz KQYMJTYUFUVHBQ-LSDHHAIUSA-N 1 1 264.413 3.350 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccc3)o2)C1 ZINC000930885267 639082473 /nfs/dbraw/zinc/08/24/73/639082473.db2.gz LYFIPUUOOFQKMP-CQSZACIVSA-N 1 1 266.344 3.187 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2nc(C(C)C)ns2)C1 ZINC000930962664 639091563 /nfs/dbraw/zinc/09/15/63/639091563.db2.gz PAZGNODWYSRLBH-GFCCVEGCSA-N 1 1 265.426 3.450 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2nc(C(C)C)ns2)C1 ZINC000930962664 639091569 /nfs/dbraw/zinc/09/15/69/639091569.db2.gz PAZGNODWYSRLBH-GFCCVEGCSA-N 1 1 265.426 3.450 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000931136138 639116881 /nfs/dbraw/zinc/11/68/81/639116881.db2.gz MAHCFAWQETWDHT-TWMKSMIVSA-N 1 1 292.467 3.453 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000931136141 639117119 /nfs/dbraw/zinc/11/71/19/639117119.db2.gz MAHCFAWQETWDHT-YYIAUSFCSA-N 1 1 292.467 3.453 20 30 CGEDMO CCc1onc(C)c1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000931332211 639136549 /nfs/dbraw/zinc/13/65/49/639136549.db2.gz ABVFNUFLCZHLGT-UHFFFAOYSA-N 1 1 295.386 3.170 20 30 CGEDMO CCc1onc(C)c1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000931332211 639136552 /nfs/dbraw/zinc/13/65/52/639136552.db2.gz ABVFNUFLCZHLGT-UHFFFAOYSA-N 1 1 295.386 3.170 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(F)cc2C)C1 ZINC000859444687 639141839 /nfs/dbraw/zinc/14/18/39/639141839.db2.gz WQLHZHQKKLVYRB-CZUORRHYSA-N 1 1 263.356 3.066 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2nnc(-c3cccc(F)c3)o2)C1 ZINC000859444707 639141896 /nfs/dbraw/zinc/14/18/96/639141896.db2.gz XOKNBQOOKVDTAD-LBPRGKRZSA-N 1 1 287.338 3.274 20 30 CGEDMO N#Cc1cc(C[NH+]2CCC(c3ncco3)CC2)ccc1F ZINC000931448480 639150471 /nfs/dbraw/zinc/15/04/71/639150471.db2.gz HABGRNFRSDENIX-UHFFFAOYSA-N 1 1 285.322 3.065 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC000859586251 639169072 /nfs/dbraw/zinc/16/90/72/639169072.db2.gz KUIIZPIZOQXTIZ-GOSISDBHSA-N 1 1 286.419 3.300 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H](CF)C1 ZINC000931682498 639187577 /nfs/dbraw/zinc/18/75/77/639187577.db2.gz MVWPPAAIMTXELA-CQSZACIVSA-N 1 1 260.356 3.357 20 30 CGEDMO N#Cc1cncc(C[N@@H+]2C[C@@H]3CC[C@H]2c2ccccc23)c1 ZINC000931705661 639192937 /nfs/dbraw/zinc/19/29/37/639192937.db2.gz NEIZVHQTALWIEC-YJBOKZPZSA-N 1 1 275.355 3.388 20 30 CGEDMO N#Cc1cncc(C[N@H+]2C[C@@H]3CC[C@H]2c2ccccc23)c1 ZINC000931705661 639192941 /nfs/dbraw/zinc/19/29/41/639192941.db2.gz NEIZVHQTALWIEC-YJBOKZPZSA-N 1 1 275.355 3.388 20 30 CGEDMO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@]3(c3ccccc3)C2)c1F ZINC000931923941 639233398 /nfs/dbraw/zinc/23/33/98/639233398.db2.gz BIWQCXWDCOMSBQ-PKOBYXMFSA-N 1 1 292.357 3.471 20 30 CGEDMO C=CCC[N@H+]1Cc2ccccc2OC2(CCOCC2)C1 ZINC000932039724 639253661 /nfs/dbraw/zinc/25/36/61/639253661.db2.gz VHDCDEYEGQPTMZ-UHFFFAOYSA-N 1 1 273.376 3.006 20 30 CGEDMO CC(C)(C)OC[C@@H]1CCC[N@H+]1Cc1cccc(C#N)c1F ZINC000932171198 639286971 /nfs/dbraw/zinc/28/69/71/639286971.db2.gz WHMPZOWAGPTELR-HNNXBMFYSA-N 1 1 290.382 3.477 20 30 CGEDMO Cn1nccc1[C@H]1CCC[N@H+]1CCCCC(C)(C)C#N ZINC000932265715 639304319 /nfs/dbraw/zinc/30/43/19/639304319.db2.gz RPSAQYPGIXOKFT-OAHLLOKOSA-N 1 1 274.412 3.277 20 30 CGEDMO Cn1nccc1[C@@H]1CCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000932263728 639305377 /nfs/dbraw/zinc/30/53/77/639305377.db2.gz SVTZDSVONWGGJQ-KRWDZBQOSA-N 1 1 299.805 3.262 20 30 CGEDMO Cn1nccc1[C@@H]1CCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000932263728 639305385 /nfs/dbraw/zinc/30/53/85/639305385.db2.gz SVTZDSVONWGGJQ-KRWDZBQOSA-N 1 1 299.805 3.262 20 30 CGEDMO N#CCSCCC[N@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000932894837 639395291 /nfs/dbraw/zinc/39/52/91/639395291.db2.gz WYRGVHHTRRVCJV-HUUCEWRRSA-N 1 1 264.438 3.144 20 30 CGEDMO Cc1csc(C[C@@H]2CC[N@H+]([C@H]3CC[C@@H](C#N)C3)C2)n1 ZINC000933128023 639422588 /nfs/dbraw/zinc/42/25/88/639422588.db2.gz SGMKDHBDNQOHET-RDBSUJKOSA-N 1 1 275.421 3.008 20 30 CGEDMO C=C/C=C\CC[N@@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933632622 639471654 /nfs/dbraw/zinc/47/16/54/639471654.db2.gz SFXNVCSTHXJUEX-CWIOURORSA-N 1 1 268.360 3.064 20 30 CGEDMO C=C/C=C\CC[N@H+]1CCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000933632622 639471663 /nfs/dbraw/zinc/47/16/63/639471663.db2.gz SFXNVCSTHXJUEX-CWIOURORSA-N 1 1 268.360 3.064 20 30 CGEDMO N#Cc1ccc([C@@H]2C[N@H+](Cc3cccs3)CCO2)cc1 ZINC000933628626 639472588 /nfs/dbraw/zinc/47/25/88/639472588.db2.gz LKUQWZOEGMLMCR-INIZCTEOSA-N 1 1 284.384 3.193 20 30 CGEDMO N#Cc1ccc([C@@H]2C[N@@H+](Cc3cccs3)CCO2)cc1 ZINC000933628626 639472591 /nfs/dbraw/zinc/47/25/91/639472591.db2.gz LKUQWZOEGMLMCR-INIZCTEOSA-N 1 1 284.384 3.193 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCCSC[C@H]2C)cc1C#N ZINC000934296309 639574184 /nfs/dbraw/zinc/57/41/84/639574184.db2.gz CVKABNGSZSBFCV-CYBMUJFWSA-N 1 1 260.406 3.194 20 30 CGEDMO C[C@H]1CSCCC[N@H+]1Cc1cccc(C#N)c1F ZINC000934305198 639577075 /nfs/dbraw/zinc/57/70/75/639577075.db2.gz WMFXCOPXDMKGPX-NSHDSACASA-N 1 1 264.369 3.025 20 30 CGEDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2)nc1 ZINC000934344230 639592825 /nfs/dbraw/zinc/59/28/25/639592825.db2.gz XEZSABIQISFUFC-SFHVURJKSA-N 1 1 293.370 3.299 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1CC(=O)Nc1c(C)cccc1CC ZINC000934470679 639615440 /nfs/dbraw/zinc/61/54/40/639615440.db2.gz PQXMDWSDIOZKTL-OAHLLOKOSA-N 1 1 272.392 3.146 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1CC(=O)Nc1c(C)cccc1CC ZINC000934470679 639615446 /nfs/dbraw/zinc/61/54/46/639615446.db2.gz PQXMDWSDIOZKTL-OAHLLOKOSA-N 1 1 272.392 3.146 20 30 CGEDMO C=CCCC[N@H+](CC)C[C@@H]1CCC2(CCOCC2)O1 ZINC000934646162 639648488 /nfs/dbraw/zinc/64/84/88/639648488.db2.gz DMSKVIUVROOVLD-HNNXBMFYSA-N 1 1 267.413 3.003 20 30 CGEDMO C=CCCC[N@H+](CC)CC[S@](=O)c1ccccc1 ZINC000934647070 639649128 /nfs/dbraw/zinc/64/91/28/639649128.db2.gz YVBWQKBHXOIFCS-SFHVURJKSA-N 1 1 265.422 3.082 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)c1 ZINC000934881015 639698577 /nfs/dbraw/zinc/69/85/77/639698577.db2.gz YGZSHNRWBWCLBL-QGZVFWFLSA-N 1 1 299.418 3.326 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000935314856 639785558 /nfs/dbraw/zinc/78/55/58/639785558.db2.gz GUYKXMDTYWLRNG-ARFHVFGLSA-N 1 1 292.467 3.358 20 30 CGEDMO C[C@@H]1CCC[C@@](CNCc2ccc(C#N)cc2)([NH+](C)C)C1 ZINC000040668379 639896372 /nfs/dbraw/zinc/89/63/72/639896372.db2.gz UDBSDBUBMZEOSU-CRAIPNDOSA-N 1 1 285.435 3.158 20 30 CGEDMO Cc1occc1C[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC000048755905 640069040 /nfs/dbraw/zinc/06/90/40/640069040.db2.gz SVRQDCKHQTZUPT-UHFFFAOYSA-N 1 1 284.359 3.361 20 30 CGEDMO Cc1cccc(CO[NH+]=C(N)CCc2ccccc2)c1 ZINC000049322492 640089341 /nfs/dbraw/zinc/08/93/41/640089341.db2.gz VDBNWCYQOMASIX-UHFFFAOYSA-N 1 1 268.360 3.417 20 30 CGEDMO C#CC[N@@H+](CC[C@H]1CCCO1)[C@@H]1CCc2ccccc21 ZINC000188875678 640156215 /nfs/dbraw/zinc/15/62/15/640156215.db2.gz QFNWHOJBLKWDIF-SJLPKXTDSA-N 1 1 269.388 3.178 20 30 CGEDMO CC[C@@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)CCS1 ZINC000076071747 640173015 /nfs/dbraw/zinc/17/30/15/640173015.db2.gz WXUAOIATNJDVNT-MRXNPFEDSA-N 1 1 290.432 3.155 20 30 CGEDMO C#CC[NH2+]C(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000078315502 640301102 /nfs/dbraw/zinc/30/11/02/640301102.db2.gz OOYQXGXIGLDEES-UHFFFAOYSA-N 1 1 257.283 3.277 20 30 CGEDMO CC#CC[N@H+](Cc1ccccc1)C[C@@H](O)c1cccs1 ZINC000088605057 640620467 /nfs/dbraw/zinc/62/04/67/640620467.db2.gz CQLMABTYGIFYBM-MRXNPFEDSA-N 1 1 285.412 3.307 20 30 CGEDMO C=C(Cl)CN1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000246283756 640668903 /nfs/dbraw/zinc/66/89/03/640668903.db2.gz CKOBTGBWLIIOPU-GJZGRUSLSA-N 1 1 270.848 3.325 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C2=CCCCCC2)C1 ZINC001007192156 640675327 /nfs/dbraw/zinc/67/53/27/640675327.db2.gz BZRHMLNVCXJHLG-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC000093443141 640770734 /nfs/dbraw/zinc/77/07/34/640770734.db2.gz FMRCJBJQDSEUOL-BMFZPTHFSA-N 1 1 270.376 3.209 20 30 CGEDMO Cc1cc(F)ccc1[C@@H](O)C[N@H+](CCC#N)CC(C)(C)C ZINC000304560829 640865368 /nfs/dbraw/zinc/86/53/68/640865368.db2.gz XVSVMWPZCXSCBA-INIZCTEOSA-N 1 1 292.398 3.429 20 30 CGEDMO Cc1cc(F)ccc1[C@@H](O)C[N@@H+](CCC#N)CC(C)(C)C ZINC000304560829 640865373 /nfs/dbraw/zinc/86/53/73/640865373.db2.gz XVSVMWPZCXSCBA-INIZCTEOSA-N 1 1 292.398 3.429 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2occc2C(C)C)C1 ZINC001008275965 640948860 /nfs/dbraw/zinc/94/88/60/640948860.db2.gz MUIVUHLLBCVOTI-AWEZNQCLSA-N 1 1 290.407 3.173 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)c2cccs2)C1 ZINC001008508829 640952275 /nfs/dbraw/zinc/95/22/75/640952275.db2.gz DPOLLOSSQUXWBE-KBPBESRZSA-N 1 1 292.448 3.008 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C2(F)CCCCC2)C1 ZINC001009099648 640956013 /nfs/dbraw/zinc/95/60/13/640956013.db2.gz YMITZTZGRCZZQB-OAHLLOKOSA-N 1 1 296.430 3.206 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC23CCCC3)C1 ZINC001009105739 640956375 /nfs/dbraw/zinc/95/63/75/640956375.db2.gz SLQBBIGJALOLCC-JKSUJKDBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2ccoc2CCC)C1 ZINC001009195410 640956886 /nfs/dbraw/zinc/95/68/86/640956886.db2.gz LTPRDTSYQNXUTN-CQSZACIVSA-N 1 1 290.407 3.002 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)ccc2C)C1 ZINC001009327091 640958749 /nfs/dbraw/zinc/95/87/49/640958749.db2.gz LRZKDIYASUPKRH-INIZCTEOSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccoc2C(C)C)C1 ZINC001009679392 640961856 /nfs/dbraw/zinc/96/18/56/640961856.db2.gz CPHMJWDCMLVGQX-AWEZNQCLSA-N 1 1 290.407 3.173 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C)cc2C)C1 ZINC001016164544 640992269 /nfs/dbraw/zinc/99/22/69/640992269.db2.gz LMPITKUMPLMOAP-MRXNPFEDSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2coc3ccccc23)C1 ZINC001016401414 640998286 /nfs/dbraw/zinc/99/82/86/640998286.db2.gz GEKFCHWCJSDOQA-CQSZACIVSA-N 1 1 298.386 3.203 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC(C)(C)C1CC1 ZINC001017532113 641013924 /nfs/dbraw/zinc/01/39/24/641013924.db2.gz VYUQBQJCHBIVRT-IYBDPMFKSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CCCCCC1 ZINC001017624308 641015131 /nfs/dbraw/zinc/01/51/31/641015131.db2.gz LWMGJCLUAJQIBB-IYBDPMFKSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CCCCCC1 ZINC001017624308 641015139 /nfs/dbraw/zinc/01/51/39/641015139.db2.gz LWMGJCLUAJQIBB-IYBDPMFKSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(CC)cc1 ZINC001018232057 641021155 /nfs/dbraw/zinc/02/11/55/641021155.db2.gz UEAJWWFAXRURLV-HDICACEKSA-N 1 1 298.430 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(CC)cc1 ZINC001018232057 641021159 /nfs/dbraw/zinc/02/11/59/641021159.db2.gz UEAJWWFAXRURLV-HDICACEKSA-N 1 1 298.430 3.114 20 30 CGEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCCC[C@H]1C ZINC001018331967 641022603 /nfs/dbraw/zinc/02/26/03/641022603.db2.gz AIUQDUBWDKDZTC-TWMKSMIVSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCCC[C@H]1C ZINC001018331967 641022606 /nfs/dbraw/zinc/02/26/06/641022606.db2.gz AIUQDUBWDKDZTC-TWMKSMIVSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H](CC)CCC ZINC001156046648 805646640 /nfs/dbraw/zinc/64/66/40/805646640.db2.gz RLRTWJDKZTXGEQ-ZIAGYGMSSA-N 1 1 288.863 3.392 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@H](CC)CCC ZINC001156046648 805646644 /nfs/dbraw/zinc/64/66/44/805646644.db2.gz RLRTWJDKZTXGEQ-ZIAGYGMSSA-N 1 1 288.863 3.392 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)C(C1CC1)C1CC1 ZINC001156283249 805671482 /nfs/dbraw/zinc/67/14/82/805671482.db2.gz NVYHDCGLTGSREB-CQSZACIVSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)C1CCCC1 ZINC001156306385 805674655 /nfs/dbraw/zinc/67/46/55/805674655.db2.gz PYOKOJYNXJVGOG-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cccc(OC)c2OCC2CC2)C1 ZINC001250530318 805678014 /nfs/dbraw/zinc/67/80/14/805678014.db2.gz JLJPLYJHIHZZRH-HNNXBMFYSA-N 1 1 299.414 3.329 20 30 CGEDMO Cc1cc(Cl)nc(NCC[C@@H]2CCC[N@H+](C)C2)c1C#N ZINC001156380543 805681028 /nfs/dbraw/zinc/68/10/28/805681028.db2.gz GYXNHYKAGSJKGS-LBPRGKRZSA-N 1 1 292.814 3.059 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](CC)C(C)C ZINC001156486135 805702136 /nfs/dbraw/zinc/70/21/36/805702136.db2.gz CXOPUAIGNOUINZ-HUUCEWRRSA-N 1 1 268.445 3.071 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)CNC(=O)c1ccccc1C1CCC1 ZINC001156641586 805721575 /nfs/dbraw/zinc/72/15/75/805721575.db2.gz GXVHRXDQAHEXHN-OAHLLOKOSA-N 1 1 298.430 3.028 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1ccc(C)c(C)c1 ZINC001156726153 805729127 /nfs/dbraw/zinc/72/91/27/805729127.db2.gz HXVQATHSDRLVRP-MRXNPFEDSA-N 1 1 288.435 3.320 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@]1(C)CC=C(C)CC1 ZINC001157063527 805771852 /nfs/dbraw/zinc/77/18/52/805771852.db2.gz SVRHNSHBWUFADI-NVXWUHKLSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC2CCC1CC2 ZINC001157158662 805785821 /nfs/dbraw/zinc/78/58/21/805785821.db2.gz IKHUZMOVNFNEKW-RDHHWEPZSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1ccc(CF)cc1 ZINC001157184417 805788345 /nfs/dbraw/zinc/78/83/45/805788345.db2.gz VFDAKIOGOFUGJI-CQSZACIVSA-N 1 1 292.398 3.172 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)c1ccsc1 ZINC001157529018 805827413 /nfs/dbraw/zinc/82/74/13/805827413.db2.gz NLRFCFFVILUJAS-OAHLLOKOSA-N 1 1 292.448 3.251 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)c1occc1C ZINC001157534998 805829190 /nfs/dbraw/zinc/82/91/90/805829190.db2.gz UREGOBFDBPNPCM-OAHLLOKOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)CC(C)(C)C ZINC001157540735 805829937 /nfs/dbraw/zinc/82/99/37/805829937.db2.gz MURVVJVXJGEPLJ-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCN(c1[nH+]cnc2[nH]c(C)c(C)c21)C(C)(C)C ZINC001157585162 805840532 /nfs/dbraw/zinc/84/05/32/805840532.db2.gz YSDGOXGSFMRMCC-UHFFFAOYSA-N 1 1 258.369 3.366 20 30 CGEDMO C=CCN(c1ccc(C[N@H+](C)C2CC2)cn1)C(C)(C)C ZINC001157585935 805840625 /nfs/dbraw/zinc/84/06/25/805840625.db2.gz WVDLELMCUOFGSQ-UHFFFAOYSA-N 1 1 273.424 3.467 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@@H]1C[N@H+](C)C[C@@H](F)CC ZINC001157705541 805854990 /nfs/dbraw/zinc/85/49/90/805854990.db2.gz CJCKSQBOZXHWIA-LSDHHAIUSA-N 1 1 284.419 3.014 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H](C)CCC ZINC001157717820 805856840 /nfs/dbraw/zinc/85/68/40/805856840.db2.gz HAXGSTRGNCHERW-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO Cc1[nH+]c(N[C@H](C)CCCC(C)(C)O)ccc1CC#N ZINC001157896717 805901326 /nfs/dbraw/zinc/90/13/26/805901326.db2.gz KKMKJFCJOMTBIN-GFCCVEGCSA-N 1 1 275.396 3.198 20 30 CGEDMO Cc1ccc(CC#N)c(N[C@H]2CCCC(F)(F)C2)[nH+]1 ZINC001158335027 805940467 /nfs/dbraw/zinc/94/04/67/805940467.db2.gz FNOLAHKHZFCYOI-LBPRGKRZSA-N 1 1 265.307 3.446 20 30 CGEDMO C#CC[N@H+](C[C@H](O)CCCC)[C@@H]1CCc2ccccc21 ZINC001252089530 805989187 /nfs/dbraw/zinc/98/91/87/805989187.db2.gz QMYXOGMHKXHTAL-SJLPKXTDSA-N 1 1 271.404 3.160 20 30 CGEDMO CCCCCCCC[C@H](O)C[NH2+]Cc1nc(C)co1 ZINC001252119743 806005933 /nfs/dbraw/zinc/00/59/33/806005933.db2.gz GGMSBNKZHLMWMY-AWEZNQCLSA-N 1 1 268.401 3.184 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@@H](C)[C@H]1CO ZINC001252123327 806012125 /nfs/dbraw/zinc/01/21/25/806012125.db2.gz GCBVJKSTEJCZOD-IXDOHACOSA-N 1 1 285.472 3.191 20 30 CGEDMO N#Cc1c[nH]c2cc[nH+]c(N[C@@H]3C[C@H]3c3ccccc3)c12 ZINC001158840445 806012285 /nfs/dbraw/zinc/01/22/85/806012285.db2.gz OKFMRZISBXSQOT-DZGCQCFKSA-N 1 1 274.327 3.403 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCOC[C@@H]1CC ZINC001252129818 806014372 /nfs/dbraw/zinc/01/43/72/806014372.db2.gz FGHPSADDGZZJCP-HOTGVXAUSA-N 1 1 271.445 3.209 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CC[C@H](N2CCCC2)C1 ZINC001252129802 806016170 /nfs/dbraw/zinc/01/61/70/806016170.db2.gz DTCMORZCIKHXGD-ZWKOTPCHSA-N 1 1 296.499 3.268 20 30 CGEDMO CCCCCCCC[C@@H](O)CN1CC[C@H]([NH+]2CCCC2)C1 ZINC001252129802 806016180 /nfs/dbraw/zinc/01/61/80/806016180.db2.gz DTCMORZCIKHXGD-ZWKOTPCHSA-N 1 1 296.499 3.268 20 30 CGEDMO CCCCCCCC[C@H](O)C[NH2+]Cc1nc(C2CC2)no1 ZINC001252133970 806019772 /nfs/dbraw/zinc/01/97/72/806019772.db2.gz MSAHRUFSACYFSE-AWEZNQCLSA-N 1 1 295.427 3.148 20 30 CGEDMO CCCCCCCC[N@@H+](C)C[C@@H](O)COCCCC ZINC001252511796 806052295 /nfs/dbraw/zinc/05/22/95/806052295.db2.gz BGHFKRYFVNIYSA-MRXNPFEDSA-N 1 1 273.461 3.456 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)CCC(C)C)CC1 ZINC001159206298 806059144 /nfs/dbraw/zinc/05/91/44/806059144.db2.gz XMLIXXSCBLGKRU-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+]1CCC[C@@]2(CCc3c2cccc3F)C1 ZINC001252560039 806065863 /nfs/dbraw/zinc/06/58/63/806065863.db2.gz FIVLHXSOWBYVBL-QZTJIDSGSA-N 1 1 289.394 3.043 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1c1c(F)cccc1F ZINC001252601964 806081652 /nfs/dbraw/zinc/08/16/52/806081652.db2.gz HQVALPMNXKPEMD-WFASDCNBSA-N 1 1 281.346 3.429 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC=C(CCNC(=O)C(C)C)CC1 ZINC001159306656 806078247 /nfs/dbraw/zinc/07/82/47/806078247.db2.gz QSQWXAYVPYTWJA-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](C)CCc1cccc(Cl)c1 ZINC001252599633 806082010 /nfs/dbraw/zinc/08/20/10/806082010.db2.gz DBIBMKUTLBCFRL-HNNXBMFYSA-N 1 1 267.800 3.141 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](Cc1ccccc1)[C@H](C)c1cc[nH]n1 ZINC001252602921 806083618 /nfs/dbraw/zinc/08/36/18/806083618.db2.gz IDVAEULJWVTKES-NVXWUHKLSA-N 1 1 299.418 3.300 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](Cc1ccccc1)[C@H](C)c1cc[nH]n1 ZINC001252602921 806083632 /nfs/dbraw/zinc/08/36/32/806083632.db2.gz IDVAEULJWVTKES-NVXWUHKLSA-N 1 1 299.418 3.300 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@H](OC)CC1 ZINC001253240498 806191826 /nfs/dbraw/zinc/19/18/26/806191826.db2.gz MLBQZWDZWVXMEA-IRXDYDNUSA-N 1 1 283.456 3.375 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCO[C@H](C(C)C)C1 ZINC001253240724 806192587 /nfs/dbraw/zinc/19/25/87/806192587.db2.gz POWZSBAYCYRPNR-IRXDYDNUSA-N 1 1 283.456 3.231 20 30 CGEDMO N#Cc1cccc2c1CC[C@H]2Nc1nc(NC2CC2)cc[nH+]1 ZINC001159911295 806197055 /nfs/dbraw/zinc/19/70/55/806197055.db2.gz BHFZURLAOFUHBR-OAHLLOKOSA-N 1 1 291.358 3.022 20 30 CGEDMO N#Cc1ccc(OCCNc2cccc(C3CC3)[nH+]2)cc1 ZINC001160287667 806250307 /nfs/dbraw/zinc/25/03/07/806250307.db2.gz SMOIYNVHVLIEIL-UHFFFAOYSA-N 1 1 279.343 3.322 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)[C@H](C)C2CCC2)CC1 ZINC001160463366 806275382 /nfs/dbraw/zinc/27/53/82/806275382.db2.gz XXIQJXUOCCBSAU-OAHLLOKOSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC[N@H+](C[C@@H](O)COc1ccc(C)cc1)C(C)(C)C ZINC001253830729 806314940 /nfs/dbraw/zinc/31/49/40/806314940.db2.gz PNIMRMUBLLPDNO-OAHLLOKOSA-N 1 1 277.408 3.021 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1ncnc2sc(C)cc21 ZINC001160951899 806326478 /nfs/dbraw/zinc/32/64/78/806326478.db2.gz NZDRLUKGAVEHFL-LBPRGKRZSA-N 1 1 288.420 3.062 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1nc(C)cc(Cl)c1C ZINC001160954519 806327630 /nfs/dbraw/zinc/32/76/30/806327630.db2.gz WLWNZPBKEPSZQB-ZDUSSCGKSA-N 1 1 279.815 3.414 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)CCCC2CC2)CC1 ZINC001160992427 806334219 /nfs/dbraw/zinc/33/42/19/806334219.db2.gz XWRZUIOLOXUATN-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCCC1=CC[N@H+](C(C)C)CC1 ZINC001161121256 806350694 /nfs/dbraw/zinc/35/06/94/806350694.db2.gz FCAFXODDKHAUGM-QGZVFWFLSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)[C@@]2(C)CCC[C@H]2C)CC1 ZINC001161126058 806352601 /nfs/dbraw/zinc/35/26/01/806352601.db2.gz NQLMQUJMCHWJBG-QAPCUYQASA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCN(C(=O)c1cnc([C@H](C)[NH3+])s1)C1CCCCC1 ZINC001161247668 806360166 /nfs/dbraw/zinc/36/01/66/806360166.db2.gz KIMYYNPRSVOUSG-NSHDSACASA-N 1 1 293.436 3.124 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)c2ccc(C=C)cc2)CC1 ZINC001161301140 806363557 /nfs/dbraw/zinc/36/35/57/806363557.db2.gz LDDOCHZETGWMJW-UHFFFAOYSA-N 1 1 296.414 3.268 20 30 CGEDMO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001254560215 806450962 /nfs/dbraw/zinc/45/09/62/806450962.db2.gz PUVOXWHITSJESP-XOUADPBQSA-N 1 1 299.374 3.292 20 30 CGEDMO N#C[C@@H]1CC[C@H]([NH2+]Cc2c(F)ccc(Cl)c2F)C1 ZINC001254635907 806465304 /nfs/dbraw/zinc/46/53/04/806465304.db2.gz GOEJISXAXXYETE-BDAKNGLRSA-N 1 1 270.710 3.400 20 30 CGEDMO CCCCCCCC[N@H+](CCN)[C@@H]1CC[C@H](C#N)C1 ZINC001254647570 806471421 /nfs/dbraw/zinc/47/14/21/806471421.db2.gz UOQDGKBHXUEIPI-JKSUJKDBSA-N 1 1 265.445 3.300 20 30 CGEDMO CCCCCCCC[N@@H+](CCN)[C@@H]1CC[C@H](C#N)C1 ZINC001254647570 806471424 /nfs/dbraw/zinc/47/14/24/806471424.db2.gz UOQDGKBHXUEIPI-JKSUJKDBSA-N 1 1 265.445 3.300 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@H](Oc3cc(F)ccc3F)C2)C1 ZINC001254669123 806480006 /nfs/dbraw/zinc/48/00/06/806480006.db2.gz ONZINZFRHUVTCV-XBFCOCLRSA-N 1 1 292.329 3.110 20 30 CGEDMO CC[N@@H+]([C@@H]1CC[C@H](C#N)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001254670383 806481208 /nfs/dbraw/zinc/48/12/08/806481208.db2.gz JAVFMNOFQWTBKR-OTWHNJEPSA-N 1 1 297.446 3.275 20 30 CGEDMO CCN([C@@H]1CC[C@H](C#N)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001254670383 806481216 /nfs/dbraw/zinc/48/12/16/806481216.db2.gz JAVFMNOFQWTBKR-OTWHNJEPSA-N 1 1 297.446 3.275 20 30 CGEDMO CCN([C@@H]1CC[C@H](C#N)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001254670383 806481219 /nfs/dbraw/zinc/48/12/19/806481219.db2.gz JAVFMNOFQWTBKR-OTWHNJEPSA-N 1 1 297.446 3.275 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@@H+]2Cc3cnc(-c4ccccc4)nc3C2)C1 ZINC001254672955 806481803 /nfs/dbraw/zinc/48/18/03/806481803.db2.gz FKXHGCDTXPDMPC-CJNGLKHVSA-N 1 1 290.370 3.151 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2Cc3cnc(-c4ccccc4)nc3C2)C1 ZINC001254672955 806481806 /nfs/dbraw/zinc/48/18/06/806481806.db2.gz FKXHGCDTXPDMPC-CJNGLKHVSA-N 1 1 290.370 3.151 20 30 CGEDMO COC(=O)c1cccc([C@@H]2CCC[N@H+]2[C@H]2CC[C@H](C#N)C2)c1 ZINC001254675482 806483795 /nfs/dbraw/zinc/48/37/95/806483795.db2.gz FTFZNQSIMCECTN-JQFCIGGWSA-N 1 1 298.386 3.302 20 30 CGEDMO C=CCC1(C(=O)NCCC2=CC[N@@H+](CC)CC2)CCCC1 ZINC001162011602 806499942 /nfs/dbraw/zinc/49/99/42/806499942.db2.gz HPJYYKQGXMPAHE-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO Cc1cc(NCCCC[N@@H+]2CCCC[C@@H]2C)ncc1C#N ZINC001162163062 806518423 /nfs/dbraw/zinc/51/84/23/806518423.db2.gz UPBXKDFDIPBGKN-HNNXBMFYSA-N 1 1 286.423 3.328 20 30 CGEDMO N#CCC1(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC001255109258 806545194 /nfs/dbraw/zinc/54/51/94/806545194.db2.gz PNOVHDBAODSQEC-KRWDZBQOSA-N 1 1 283.419 3.077 20 30 CGEDMO CC(C)C[C@@](C)(C#N)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001255105932 806545223 /nfs/dbraw/zinc/54/52/23/806545223.db2.gz HVGXOFPRYUZCMS-ROUUACIJSA-N 1 1 285.435 3.179 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]C(C)(C)c1cc(F)cc(F)c1 ZINC001255157426 806558755 /nfs/dbraw/zinc/55/87/55/806558755.db2.gz QPPSMTJYRLBUJM-ZDUSSCGKSA-N 1 1 252.308 3.482 20 30 CGEDMO CC[C@H](CC#N)[NH+]1CCC2(CC1)CC(=O)Nc1ccccc12 ZINC001255172282 806564360 /nfs/dbraw/zinc/56/43/60/806564360.db2.gz MNJJAANXLNPJLD-CQSZACIVSA-N 1 1 297.402 3.055 20 30 CGEDMO CC[C@H](CC#N)N1CCCC[C@H]1C[C@@H]1CCC[N@H+]1C ZINC001255173411 806565957 /nfs/dbraw/zinc/56/59/57/806565957.db2.gz AANMFQASNZNLRS-PMPSAXMXSA-N 1 1 263.429 3.017 20 30 CGEDMO CC[C@@H](CC#N)[N@@H+](C1CCCC1)C1CCN(C)CC1 ZINC001255177535 806569742 /nfs/dbraw/zinc/56/97/42/806569742.db2.gz UKPSUVGKURXYRS-AWEZNQCLSA-N 1 1 263.429 3.017 20 30 CGEDMO CC[C@@H](CC#N)N(C1CCCC1)C1CC[NH+](C)CC1 ZINC001255177535 806569747 /nfs/dbraw/zinc/56/97/47/806569747.db2.gz UKPSUVGKURXYRS-AWEZNQCLSA-N 1 1 263.429 3.017 20 30 CGEDMO CC[C@H](CC#N)n1ccc(C[NH2+]Cc2ccccc2)n1 ZINC001255178509 806572752 /nfs/dbraw/zinc/57/27/52/806572752.db2.gz HKSRBHWCCIWPOW-MRXNPFEDSA-N 1 1 268.364 3.038 20 30 CGEDMO C[C@@H](CC(F)(F)F)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001255655884 806695613 /nfs/dbraw/zinc/69/56/13/806695613.db2.gz YWBYVYMWLZZMDA-JTQLQIEISA-N 1 1 256.271 3.331 20 30 CGEDMO N#Cc1ccc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000250914048 799163307 /nfs/dbraw/zinc/16/33/07/799163307.db2.gz YQKHCXDLOLUBRW-STQMWFEESA-N 1 1 275.783 3.250 20 30 CGEDMO CC(C)C[N@H+](CCC#N)CCCOCc1ccccc1 ZINC000382075824 799392257 /nfs/dbraw/zinc/39/22/57/799392257.db2.gz UDPRUOVLLJGILV-UHFFFAOYSA-N 1 1 274.408 3.465 20 30 CGEDMO Cc1ccc(C[C@@H](C)[N@H+]2CCC3SC(=O)C=C3C2)cc1 ZINC001255787421 806750492 /nfs/dbraw/zinc/75/04/92/806750492.db2.gz KGZGFESZXVWBBI-CZUORRHYSA-N 1 1 287.428 3.200 20 30 CGEDMO CC[C@@H]1CCCCC[N@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC000402209687 799561452 /nfs/dbraw/zinc/56/14/52/799561452.db2.gz LZWGIFSTJZTDSW-IAGOWNOFSA-N 1 1 272.392 3.246 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](c3nccs3)C2)cc1 ZINC000710362670 800033189 /nfs/dbraw/zinc/03/31/89/800033189.db2.gz XRZJSCOAQDRFTH-AWEZNQCLSA-N 1 1 269.373 3.004 20 30 CGEDMO CC1(C)C[C@H](C[N@H+]2CCC[C@H](CC#N)C2)C(C)(C)O1 ZINC000711278626 800051347 /nfs/dbraw/zinc/05/13/47/800051347.db2.gz JIOVVIVGNOODGA-ZIAGYGMSSA-N 1 1 264.413 3.206 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](CF)C2)c(Cl)c1 ZINC000711436718 800058808 /nfs/dbraw/zinc/05/88/08/800058808.db2.gz YDBWNTHIMDXUDD-NSHDSACASA-N 1 1 252.720 3.003 20 30 CGEDMO C=CCC1(O)CC[NH+](Cc2cccc(F)c2Cl)CC1 ZINC000717451231 800202165 /nfs/dbraw/zinc/20/21/65/800202165.db2.gz LYRSCYYVINQMGD-UHFFFAOYSA-N 1 1 283.774 3.382 20 30 CGEDMO C=C1CCC(C[NH2+]C2CCN(CCC)CC2)CC1 ZINC000724570567 800363753 /nfs/dbraw/zinc/36/37/53/800363753.db2.gz DMZNSFOENNSVFW-UHFFFAOYSA-N 1 1 250.430 3.197 20 30 CGEDMO CC(=[NH+]OC1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000799113129 800394713 /nfs/dbraw/zinc/39/47/13/800394713.db2.gz JIWRBXJXIFWFOT-UHFFFAOYSA-N 1 1 277.324 3.250 20 30 CGEDMO C=CC[N@H+](Cc1ccc(COCCOC)cc1)C(C)C ZINC000809547355 800445033 /nfs/dbraw/zinc/44/50/33/800445033.db2.gz OZSRUUQWBMGZFG-UHFFFAOYSA-N 1 1 277.408 3.246 20 30 CGEDMO C#Cc1ccc(C[N@@H+](C)C[C@@H]2OCCc3ccccc32)cc1 ZINC000809551732 800445377 /nfs/dbraw/zinc/44/53/77/800445377.db2.gz GQUHVLYXYGSBSV-FQEVSTJZSA-N 1 1 291.394 3.414 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)[C@@H]2CCc3c2cccc3F)n1 ZINC001256205622 806849049 /nfs/dbraw/zinc/84/90/49/806849049.db2.gz OSMBIXPRXKDWFG-GOSISDBHSA-N 1 1 297.377 3.165 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)[C@@H]2CCc3c2cccc3F)n1 ZINC001256205622 806849056 /nfs/dbraw/zinc/84/90/56/806849056.db2.gz OSMBIXPRXKDWFG-GOSISDBHSA-N 1 1 297.377 3.165 20 30 CGEDMO C[C@]1(C2CC2)C[N@@H+](CCCCC2(C#N)CCC2)CCO1 ZINC000930922841 800652251 /nfs/dbraw/zinc/65/22/51/800652251.db2.gz HDQAJBNFRPIYQD-MRXNPFEDSA-N 1 1 276.424 3.351 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(C)(C)F)C1 ZINC001021500226 800702706 /nfs/dbraw/zinc/70/27/06/800702706.db2.gz UQFYVBSYSGAZQM-CABCVRRESA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](CNC(=O)C2CCCCCC2)C1 ZINC001023258695 800708979 /nfs/dbraw/zinc/70/89/79/800708979.db2.gz CDNYEWAKKBIEOH-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001023442688 800709622 /nfs/dbraw/zinc/70/96/22/800709622.db2.gz BSNBDBCKVMVGPL-DLBZAZTESA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccsc2C)C1 ZINC001023351908 800709991 /nfs/dbraw/zinc/70/99/91/800709991.db2.gz DZZUMVFDMIEMRW-AWEZNQCLSA-N 1 1 292.448 3.074 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001023389561 800710346 /nfs/dbraw/zinc/71/03/46/800710346.db2.gz XHLVPIWNJNNPQS-IRXDYDNUSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)c2csc(C)c2)C1 ZINC001023646549 800713587 /nfs/dbraw/zinc/71/35/87/800713587.db2.gz CWRNMDVOVONZLF-CQSZACIVSA-N 1 1 292.448 3.074 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001023768113 800715592 /nfs/dbraw/zinc/71/55/92/800715592.db2.gz MVBBWIYNJIXXQY-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001024320747 800724376 /nfs/dbraw/zinc/72/43/76/800724376.db2.gz WQQNPGFTDGGKQB-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccoc1CC ZINC001024420441 800728554 /nfs/dbraw/zinc/72/85/54/800728554.db2.gz PMMJQYAGFPNPEK-AWEZNQCLSA-N 1 1 290.407 3.002 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(CC)o1 ZINC001024511870 800730277 /nfs/dbraw/zinc/73/02/77/800730277.db2.gz MXEBPMUFAPBSQE-AWEZNQCLSA-N 1 1 290.407 3.002 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001024636480 800734002 /nfs/dbraw/zinc/73/40/02/800734002.db2.gz TUKQOIGXIOPTOG-JZXOWHBKSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C=C(C)C ZINC001025190023 800747278 /nfs/dbraw/zinc/74/72/78/800747278.db2.gz UXUGXTWUBDHRCK-IAGOWNOFSA-N 1 1 290.451 3.374 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(C)C ZINC001025204136 800748541 /nfs/dbraw/zinc/74/85/41/800748541.db2.gz MTMUOQBJORJGNH-HZPDHXFCSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC(C)(C)C ZINC001025201223 800749147 /nfs/dbraw/zinc/74/91/47/800749147.db2.gz JYMUJIDFVAJYDK-HOTGVXAUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)/C(C)=C/C ZINC001025219505 800750376 /nfs/dbraw/zinc/75/03/76/800750376.db2.gz XJKWJXHSOBSORS-KZIQZQBPSA-N 1 1 290.451 3.374 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2CC=CC2)C1 ZINC001025371643 800759286 /nfs/dbraw/zinc/75/92/86/800759286.db2.gz GTNRUAOUCKHNBD-DOTOQJQBSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccsc2C)C1 ZINC001025415987 800760294 /nfs/dbraw/zinc/76/02/94/800760294.db2.gz XGZCREJFJSLTIW-GXTWGEPZSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001025524972 800762899 /nfs/dbraw/zinc/76/28/99/800762899.db2.gz WPFIYMVYDXYSLX-RDJZCZTQSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC001027293399 800790019 /nfs/dbraw/zinc/79/00/19/800790019.db2.gz CAOURBWPVUGHHP-CABCVRRESA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC001027293399 800790021 /nfs/dbraw/zinc/79/00/21/800790021.db2.gz CAOURBWPVUGHHP-CABCVRRESA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(Cl)o2)C1 ZINC001027300402 800790602 /nfs/dbraw/zinc/79/06/02/800790602.db2.gz RDAWIJCERSAMFG-GFCCVEGCSA-N 1 1 296.798 3.046 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)CC(C)(C)C2CC2)C1 ZINC001027401789 800795519 /nfs/dbraw/zinc/79/55/19/800795519.db2.gz JIAMKXKABMNAGX-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1coc2c1cccc2C ZINC001027931902 800825361 /nfs/dbraw/zinc/82/53/61/800825361.db2.gz MWTDQQKDOLTDHM-CQSZACIVSA-N 1 1 298.386 3.121 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C)ccc1C1CC1 ZINC001028050495 800830407 /nfs/dbraw/zinc/83/04/07/800830407.db2.gz SOZDMUKLZVOZPF-MRXNPFEDSA-N 1 1 298.430 3.253 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)c1occc1CC ZINC001028117528 800831958 /nfs/dbraw/zinc/83/19/58/800831958.db2.gz QFNRNQXGCJRAIM-OAHLLOKOSA-N 1 1 290.407 3.002 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001028278416 800837932 /nfs/dbraw/zinc/83/79/32/800837932.db2.gz MMGPIDHJYQIFRO-ULQDDVLXSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H]1CNC(=O)c1cc2ccccc2o1 ZINC001028302923 800841036 /nfs/dbraw/zinc/84/10/36/800841036.db2.gz HMRKDPPVSDPVSQ-OAHLLOKOSA-N 1 1 298.386 3.203 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(C2CC2)c1 ZINC001028338818 800842420 /nfs/dbraw/zinc/84/24/20/800842420.db2.gz IASJADOFIAXTOC-GOSISDBHSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)c2cc(C)cs2)C1 ZINC001028529090 800850926 /nfs/dbraw/zinc/85/09/26/800850926.db2.gz VIJFAHUYXMHERU-CQSZACIVSA-N 1 1 292.448 3.074 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC2(C)C)C1 ZINC001028745515 800852435 /nfs/dbraw/zinc/85/24/35/800852435.db2.gz COFKDZWQLCGSTP-JKSUJKDBSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC2(C)C)C1 ZINC001028746662 800852893 /nfs/dbraw/zinc/85/28/93/800852893.db2.gz QRUHADBFNAJDCL-UONOGXRCSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC2(C)C)C1 ZINC001028746662 800852900 /nfs/dbraw/zinc/85/29/00/800852900.db2.gz QRUHADBFNAJDCL-UONOGXRCSA-N 1 1 298.858 3.003 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H](C)F ZINC001029453783 800868924 /nfs/dbraw/zinc/86/89/24/800868924.db2.gz KRQANSOEFIPPLK-PNBKFKSVSA-N 1 1 296.430 3.012 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C1 ZINC001031144735 800905310 /nfs/dbraw/zinc/90/53/10/800905310.db2.gz VKTJTQVQRFTNPF-WKILWMFISA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1(C)CCCC1 ZINC001032387972 800927936 /nfs/dbraw/zinc/92/79/36/800927936.db2.gz BIYQCAJEVFDKJQ-HOTGVXAUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)CC1CCCCC1 ZINC001032660316 800932869 /nfs/dbraw/zinc/93/28/69/800932869.db2.gz BMEAHWNBMCKXJG-XIRDDKMYSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)CC1CCCCC1 ZINC001032660316 800932873 /nfs/dbraw/zinc/93/28/73/800932873.db2.gz BMEAHWNBMCKXJG-XIRDDKMYSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CCC(C)CC1 ZINC001032810954 800936051 /nfs/dbraw/zinc/93/60/51/800936051.db2.gz NYJINEOSJLZNEC-LPMVOBIJSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CCC(C)CC1 ZINC001032810954 800936055 /nfs/dbraw/zinc/93/60/55/800936055.db2.gz NYJINEOSJLZNEC-LPMVOBIJSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCC(C)(C)CC1 ZINC001032808113 800936570 /nfs/dbraw/zinc/93/65/70/800936570.db2.gz JTFNODCWVCHGGC-HOTGVXAUSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc([C@@H](C)CC)cc1 ZINC001032805203 800937012 /nfs/dbraw/zinc/93/70/12/800937012.db2.gz BHAOQQYWBNXANR-WBAXXEDZSA-N 1 1 298.430 3.285 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc([C@@H](C)CC)cc1 ZINC001032805203 800937017 /nfs/dbraw/zinc/93/70/17/800937017.db2.gz BHAOQQYWBNXANR-WBAXXEDZSA-N 1 1 298.430 3.285 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)C2CCC2)C1 ZINC001033308233 800959056 /nfs/dbraw/zinc/95/90/56/800959056.db2.gz FRKXZNHYFIOEHH-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2occc2C(C)C)C1 ZINC001033354953 800960316 /nfs/dbraw/zinc/96/03/16/800960316.db2.gz GPSWHNQJMHTYMT-AWEZNQCLSA-N 1 1 290.407 3.125 20 30 CGEDMO C=C1CCC(C(=O)N(C)[C@H]2CC[N@H+](CC[C@@H](C)F)C2)CC1 ZINC001033389662 800962408 /nfs/dbraw/zinc/96/24/08/800962408.db2.gz RZDIJBOAQJMWPL-ZBFHGGJFSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CC[C@H](C)F)C2)CC1 ZINC001033389621 800963263 /nfs/dbraw/zinc/96/32/63/800963263.db2.gz RZDIJBOAQJMWPL-GOEBONIOSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C1CC(C)(C(=O)N(C)[C@H]2CC[N@H+](CC(CC)CC)C2)C1 ZINC001033397870 800963852 /nfs/dbraw/zinc/96/38/52/800963852.db2.gz DYOMHCIRJONJRQ-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccsc2Cl)C1 ZINC001033475524 800965596 /nfs/dbraw/zinc/96/55/96/800965596.db2.gz QERVXTHZVBWBHM-NSHDSACASA-N 1 1 298.839 3.124 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)CC2CCCCCC2)C1 ZINC001033459138 800966474 /nfs/dbraw/zinc/96/64/74/800966474.db2.gz ZLNREFPOVTTWLN-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)C2CCC(C)(C)CC2)C1 ZINC001033695090 800975526 /nfs/dbraw/zinc/97/55/26/800975526.db2.gz XAKXCKMUMYSYII-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccoc2C(C)C)C1 ZINC001033703268 800977322 /nfs/dbraw/zinc/97/73/22/800977322.db2.gz BJWRKGWDVVLGPA-CQSZACIVSA-N 1 1 290.407 3.125 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccs2)C1 ZINC001033739996 800980818 /nfs/dbraw/zinc/98/08/18/800980818.db2.gz KOYRFPAGQRCCNK-CQSZACIVSA-N 1 1 292.448 3.251 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(C)cs2)C1 ZINC001033831434 800985819 /nfs/dbraw/zinc/98/58/19/800985819.db2.gz YHBCQEYXNHVYAH-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc(C3CC3)c2)C1 ZINC001034051304 800997012 /nfs/dbraw/zinc/99/70/12/800997012.db2.gz UGSGVGCXXBOGNP-SFHVURJKSA-N 1 1 298.430 3.286 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC=CCC2)C1 ZINC001034096933 801003531 /nfs/dbraw/zinc/00/35/31/801003531.db2.gz UDHVJLDAHFSMTP-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2cscc2C)C1 ZINC001034163367 801009674 /nfs/dbraw/zinc/00/96/74/801009674.db2.gz LDBNWEUMIMQPOH-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccoc2CC)C1 ZINC001034185625 801009943 /nfs/dbraw/zinc/00/99/43/801009943.db2.gz TXMBGCFPWUBJRX-CQSZACIVSA-N 1 1 290.407 3.002 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001034354566 801019923 /nfs/dbraw/zinc/01/99/23/801019923.db2.gz MUCWIRQZFUTBNU-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@@H+](CC3CCC3)C2)C1 ZINC001034388268 801022466 /nfs/dbraw/zinc/02/24/66/801022466.db2.gz CUQDITKTMMWVQM-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001034479916 801028668 /nfs/dbraw/zinc/02/86/68/801028668.db2.gz CLEMBCJQHCYVSN-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2cc(C)ccc2C)C1 ZINC001034502073 801029689 /nfs/dbraw/zinc/02/96/89/801029689.db2.gz CLVSBHVMUIWOOV-MRXNPFEDSA-N 1 1 286.419 3.074 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001034498908 801030696 /nfs/dbraw/zinc/03/06/96/801030696.db2.gz PPBZUVLXXZMOFT-ULQDDVLXSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(C)cc2C)C1 ZINC001034520416 801032278 /nfs/dbraw/zinc/03/22/78/801032278.db2.gz WHSASAUOPBDIRO-MRXNPFEDSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2ccc(F)s2)C1 ZINC001034553065 801033139 /nfs/dbraw/zinc/03/31/39/801033139.db2.gz SAWFZFOZSBYFDS-LBPRGKRZSA-N 1 1 296.411 3.048 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)C2(C)CCC(C)CC2)C1 ZINC001034547502 801033924 /nfs/dbraw/zinc/03/39/24/801033924.db2.gz RAOQHZMVGMEAOC-PQUAAJSLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC2(C1)CCN(C(=O)C1(C)CCCC1)CC2 ZINC001035208725 801055901 /nfs/dbraw/zinc/05/59/01/801055901.db2.gz DLCBGLDTHVUYIW-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC2(CC[N@H+](C(C)C)C2)CC1 ZINC001035227065 801056897 /nfs/dbraw/zinc/05/68/97/801056897.db2.gz QTBOZTPHTUPMNQ-KRWDZBQOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C3CCCCC3)CC[C@@H]21 ZINC001036629950 801085277 /nfs/dbraw/zinc/08/52/77/801085277.db2.gz YNWDIEMFIHXGLU-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)CC(C)(C)C)CC[C@H]21 ZINC001036642098 801086335 /nfs/dbraw/zinc/08/63/35/801086335.db2.gz LFIXTRAEAMJGOG-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2CN(C(=O)CC3(C)CCCC3)CC[C@H]21 ZINC001036706822 801087805 /nfs/dbraw/zinc/08/78/05/801087805.db2.gz DZLHYMNPTBJJKN-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C)c(C)c3)CC[C@@H]21 ZINC001036885951 801092843 /nfs/dbraw/zinc/09/28/43/801092843.db2.gz SYFNZXILSKCZRN-MSOLQXFVSA-N 1 1 298.430 3.026 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(C)cc3C)CC[C@@H]21 ZINC001036884942 801093480 /nfs/dbraw/zinc/09/34/80/801093480.db2.gz CLYXJGPHCKGMIM-WMZOPIPTSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001038268973 801123415 /nfs/dbraw/zinc/12/34/15/801123415.db2.gz KZZLAMXEMRKBPZ-HRCADAONSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)/C(C)=C\C)C1 ZINC001039204171 801153322 /nfs/dbraw/zinc/15/33/22/801153322.db2.gz VGAOYXUQRDNYOU-XIENNYHASA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)/C(C)=C\C)C1 ZINC001039203245 801153483 /nfs/dbraw/zinc/15/34/83/801153483.db2.gz OZAWZRJOEPWKPC-ANNBALGTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1=CCCCCC1 ZINC001039363835 801160130 /nfs/dbraw/zinc/16/01/30/801160130.db2.gz YMHSWPKWKXHFKL-SJORKVTESA-N 1 1 288.435 3.128 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(F)=C(C)C ZINC001039359673 801160716 /nfs/dbraw/zinc/16/07/16/801160716.db2.gz AQNYJDCSYYLWLX-CABCVRRESA-N 1 1 294.414 3.281 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C1CCC1 ZINC001039393072 801160744 /nfs/dbraw/zinc/16/07/44/801160744.db2.gz PSWTXTQMPBCNTJ-UAGQMJEPSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(C)C ZINC001039897091 801168558 /nfs/dbraw/zinc/16/85/58/801168558.db2.gz UCJZIQAUYKSCQA-SOLBZPMBSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)C)C2)C1 ZINC001040502483 801178255 /nfs/dbraw/zinc/17/82/55/801178255.db2.gz NMTVKYIVWUKXST-MRXNPFEDSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)C)C2)C1 ZINC001040502483 801178257 /nfs/dbraw/zinc/17/82/57/801178257.db2.gz NMTVKYIVWUKXST-MRXNPFEDSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)C3CCCCC3)C2)C1 ZINC001041030384 801185127 /nfs/dbraw/zinc/18/51/27/801185127.db2.gz LFBKVSARDAZHRL-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@]2(CC[N@H+](CC(C)C)C2)C1 ZINC001041536450 801190194 /nfs/dbraw/zinc/19/01/94/801190194.db2.gz NRGVJCQAFHPLEK-GOSISDBHSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@@]2(CC[N@H+](CCCC)C2)C1 ZINC001041638075 801192787 /nfs/dbraw/zinc/19/27/87/801192787.db2.gz HONJGZWMBQFMQU-ZWKOTPCHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)CC3CCCCC3)C[C@H]21 ZINC001041926313 801197162 /nfs/dbraw/zinc/19/71/62/801197162.db2.gz RHQMFPTYDRYWIB-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)CCC3CC3)C[C@H]21 ZINC001041980862 801198752 /nfs/dbraw/zinc/19/87/52/801198752.db2.gz DITPUWUETQISSE-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)CCC3CC3)C[C@H]21 ZINC001041980859 801199285 /nfs/dbraw/zinc/19/92/85/801199285.db2.gz DITPUWUETQISSE-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[NH+]1CC(N(C)C(=O)C2CCCCCCC2)C1 ZINC001043300955 801218816 /nfs/dbraw/zinc/21/88/16/801218816.db2.gz SVJSPZWNPIHEMZ-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[NH+]1CC(N(C)C(=O)c2cc3ccccc3o2)C1 ZINC001044261706 801235721 /nfs/dbraw/zinc/23/57/21/801235721.db2.gz RSZAJTIJCBBLKA-UHFFFAOYSA-N 1 1 298.386 3.155 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)C2CCCCC2)CC1 ZINC001045349154 801270834 /nfs/dbraw/zinc/27/08/34/801270834.db2.gz HXLXTXNGOPZRKH-UHFFFAOYSA-N 1 1 298.858 3.290 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@H]2C[C@H]2C(C)C)CC1 ZINC001045604277 801281301 /nfs/dbraw/zinc/28/13/01/801281301.db2.gz QOOJJWLDOKTTFY-KBPBESRZSA-N 1 1 298.858 3.002 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)c2cc(C)cs2)C1 ZINC001046299385 801307392 /nfs/dbraw/zinc/30/73/92/801307392.db2.gz KPHVDSVDCBZVJK-INIZCTEOSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)c2occc2Cl)C1 ZINC001046595740 801316714 /nfs/dbraw/zinc/31/67/14/801316714.db2.gz NKZNQTZHIPOITB-HNNXBMFYSA-N 1 1 296.798 3.093 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc3ccccc3c2)C1 ZINC001046797968 801326338 /nfs/dbraw/zinc/32/63/38/801326338.db2.gz INSDJHJRLXHLAQ-LJQANCHMSA-N 1 1 294.398 3.220 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)c1cccs1 ZINC001049303868 801363293 /nfs/dbraw/zinc/36/32/93/801363293.db2.gz WGWPDLZQWGPOFC-UONOGXRCSA-N 1 1 290.432 3.003 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCC1CCCC1 ZINC001049310300 801364276 /nfs/dbraw/zinc/36/42/76/801364276.db2.gz DKGLREAGWSVLQQ-SJORKVTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(CC)CC ZINC001049321767 801364565 /nfs/dbraw/zinc/36/45/65/801364565.db2.gz JIXCYTDIYMCASU-HUUCEWRRSA-N 1 1 298.858 3.240 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C(CC)CC ZINC001049321767 801364572 /nfs/dbraw/zinc/36/45/72/801364572.db2.gz JIXCYTDIYMCASU-HUUCEWRRSA-N 1 1 298.858 3.240 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC1(C)C ZINC001049664307 801381298 /nfs/dbraw/zinc/38/12/98/801381298.db2.gz RBLVVUDZQLVBRD-ARFHVFGLSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1CCC ZINC001049702755 801386994 /nfs/dbraw/zinc/38/69/94/801386994.db2.gz NUAMDVUUWYGKFC-WCXIOVBPSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC)c1ccccc1 ZINC001049907638 801392723 /nfs/dbraw/zinc/39/27/23/801392723.db2.gz DNASCOWJQQNCNA-OKZBNKHCSA-N 1 1 298.430 3.041 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)C=C2CCCCC2)CC1 ZINC001052230922 801426369 /nfs/dbraw/zinc/42/63/69/801426369.db2.gz HLEBPJLIQGIQSX-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)C=C2CCCCC2)CC1 ZINC001052238570 801427331 /nfs/dbraw/zinc/42/73/31/801427331.db2.gz LOYXZBRYSVCHKE-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC=CCC2)CC1 ZINC001052197125 801427355 /nfs/dbraw/zinc/42/73/55/801427355.db2.gz KAGHODHXUVCRCO-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C(C)=C2CCC2)CC1 ZINC001052370187 801432136 /nfs/dbraw/zinc/43/21/36/801432136.db2.gz ZFRPTMGPZAPCAO-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC2(C)C)CC1 ZINC001052641439 801443165 /nfs/dbraw/zinc/44/31/65/801443165.db2.gz PHJRXMXJLBXMQG-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)C2(C)CC(=C)C2)CC1 ZINC001052688888 801447385 /nfs/dbraw/zinc/44/73/85/801447385.db2.gz CJFBNJHCAONHHF-CQSZACIVSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](C/C=C\Cl)CC2)C1 ZINC001052693712 801448335 /nfs/dbraw/zinc/44/83/35/801448335.db2.gz XZZARXIUEQEUFI-HJHHMULASA-N 1 1 296.842 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C)c2C)CC1 ZINC001052907387 801455528 /nfs/dbraw/zinc/45/55/28/801455528.db2.gz PMBVEWXBCOENKJ-MRXNPFEDSA-N 1 1 286.419 3.074 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@]2(CC[N@H+](CCC)C2)C1 ZINC001054175294 801477755 /nfs/dbraw/zinc/47/77/55/801477755.db2.gz LPTCOVBQJOYWFY-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)CC2CCCCC2)CC[C@H]1C ZINC001071335375 801531005 /nfs/dbraw/zinc/53/10/05/801531005.db2.gz VCUWMDVAEDCKDG-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)C2=CCCCCC2)CC[C@@H]1C ZINC001071457616 801537247 /nfs/dbraw/zinc/53/72/47/801537247.db2.gz KHQDYGZCTNYLGL-GOEBONIOSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2sccc2F)CC[C@@H]1C ZINC001071490744 801540406 /nfs/dbraw/zinc/54/04/06/801540406.db2.gz QSCIOHSCEQNGBN-NWDGAFQWSA-N 1 1 296.411 3.046 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)C2CCC3(CC3)CC2)CC[C@@H]1C ZINC001071689396 801545158 /nfs/dbraw/zinc/54/51/58/801545158.db2.gz JVINCNPKDNGENF-GOEBONIOSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)CC2CC(C)(C)C2)CC[C@@H]1C ZINC001071763236 801550565 /nfs/dbraw/zinc/55/05/65/801550565.db2.gz UGULXHBPTZPSPI-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C2CCC(=C)CC2)CC[C@@H]1C ZINC001071794801 801551372 /nfs/dbraw/zinc/55/13/72/801551372.db2.gz FQUAPNDKZLFPOC-RDJZCZTQSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[N@H+]1C[C@H](NC(=O)c2occc2CC)CC[C@@H]1C ZINC001071800103 801551453 /nfs/dbraw/zinc/55/14/53/801551453.db2.gz RDYJMZGRUPASBD-DZGCQCFKSA-N 1 1 290.407 3.001 20 30 CGEDMO C=Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CC(=C)C)C2)cc1 ZINC001071828301 801553377 /nfs/dbraw/zinc/55/33/77/801553377.db2.gz MNUJPPPPGUBROF-QAPCUYQASA-N 1 1 298.430 3.488 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cccc(Cl)c2)CC[C@@H]1C ZINC001072015450 801560649 /nfs/dbraw/zinc/56/06/49/801560649.db2.gz CZENMDKFKRSZIG-WFASDCNBSA-N 1 1 292.810 3.109 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2cccc(C)c2C)CC[C@@H]1C ZINC001072041249 801561301 /nfs/dbraw/zinc/56/13/01/801561301.db2.gz VRYUORICASGYMG-HOCLYGCPSA-N 1 1 286.419 3.072 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2cc3ccccc3o2)CC[C@H]1C ZINC001072049206 801563316 /nfs/dbraw/zinc/56/33/16/801563316.db2.gz OFYNMOUQUDZAOK-UKRRQHHQSA-N 1 1 298.386 3.202 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C=C2CCCCC2)C1 ZINC001079459182 801644932 /nfs/dbraw/zinc/64/49/32/801644932.db2.gz GYPWUGHWMBAMBP-IUODEOHRSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C=C2CCCCC2)C1 ZINC001079459182 801644941 /nfs/dbraw/zinc/64/49/41/801644941.db2.gz GYPWUGHWMBAMBP-IUODEOHRSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C)CCCCCC2)C1 ZINC001079867814 801646308 /nfs/dbraw/zinc/64/63/08/801646308.db2.gz RHDOUXVVKVOGGA-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2occc2C(C)C)C1 ZINC001080314811 801652276 /nfs/dbraw/zinc/65/22/76/801652276.db2.gz VDRMZFZOAGTRET-UKRRQHHQSA-N 1 1 290.407 3.029 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1 ZINC001080559067 801654054 /nfs/dbraw/zinc/65/40/54/801654054.db2.gz SLUDDAKIPGQVMQ-FSZRXZPDSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(Cl)cs2)C1 ZINC001080560753 801654780 /nfs/dbraw/zinc/65/47/80/801654780.db2.gz ZFPWLFZUVGSOCZ-ZYHUDNBSSA-N 1 1 298.839 3.028 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC2(CC2)C1 ZINC001085594679 801696161 /nfs/dbraw/zinc/69/61/61/801696161.db2.gz MWPZDLNPUCCKDM-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC=CCCC1 ZINC001085669452 801698284 /nfs/dbraw/zinc/69/82/84/801698284.db2.gz ZOVORHLERGKFQL-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1occc1Cl ZINC001085802332 801705877 /nfs/dbraw/zinc/70/58/77/801705877.db2.gz QZURPPFSDIHMTF-GFCCVEGCSA-N 1 1 296.798 3.046 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccsc1Cl ZINC001085856878 801709372 /nfs/dbraw/zinc/70/93/72/801709372.db2.gz KOOCGVIWCWPJDL-LLVKDONJSA-N 1 1 298.839 3.124 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccsc1Cl ZINC001085856878 801709381 /nfs/dbraw/zinc/70/93/81/801709381.db2.gz KOOCGVIWCWPJDL-LLVKDONJSA-N 1 1 298.839 3.124 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(Cl)cc1 ZINC001085939353 801710972 /nfs/dbraw/zinc/71/09/72/801710972.db2.gz FDKWTOSHSDWIBJ-OAHLLOKOSA-N 1 1 292.810 3.062 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1C1CCC1 ZINC001085950469 801713619 /nfs/dbraw/zinc/71/36/19/801713619.db2.gz GXEGICZSOZKCDN-MRXNPFEDSA-N 1 1 298.430 3.286 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1C1CCC1 ZINC001085950469 801713624 /nfs/dbraw/zinc/71/36/24/801713624.db2.gz GXEGICZSOZKCDN-MRXNPFEDSA-N 1 1 298.430 3.286 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)c(C)s1 ZINC001085961006 801714629 /nfs/dbraw/zinc/71/46/29/801714629.db2.gz UWNHHZDJZNNAJL-AWEZNQCLSA-N 1 1 292.448 3.087 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)c(C)s1 ZINC001085961006 801714634 /nfs/dbraw/zinc/71/46/34/801714634.db2.gz UWNHHZDJZNNAJL-AWEZNQCLSA-N 1 1 292.448 3.087 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cccc(C)c2)[C@H]1CC ZINC001087492230 801753268 /nfs/dbraw/zinc/75/32/68/801753268.db2.gz NYPWDSGRJUGHGD-DLBZAZTESA-N 1 1 286.419 3.154 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2oc(C)cc2C)[C@H]1CC ZINC001087531745 801755362 /nfs/dbraw/zinc/75/53/62/801755362.db2.gz YSHXDGZOJKTTNN-LSDHHAIUSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2(C)CCCC2)[C@H]1CC ZINC001087677103 801762488 /nfs/dbraw/zinc/76/24/88/801762488.db2.gz VWBVVZJYYALCLT-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2CC3(CCC3)C2)[C@H]1CC ZINC001087693036 801762696 /nfs/dbraw/zinc/76/26/96/801762696.db2.gz SLVLTQJLUSSHDO-JKSUJKDBSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccoc2CCC)[C@H]1CC ZINC001087796069 801768982 /nfs/dbraw/zinc/76/89/82/801768982.db2.gz HDFMCGZNOLRVOQ-LSDHHAIUSA-N 1 1 290.407 3.001 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(F)s2)[C@H]1CC ZINC001087846120 801771045 /nfs/dbraw/zinc/77/10/45/801771045.db2.gz JPPRWBFSWSPJEK-NWDGAFQWSA-N 1 1 296.411 3.046 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C2CCC2)[C@H]1C ZINC001088776055 801806629 /nfs/dbraw/zinc/80/66/29/801806629.db2.gz AOJSURDRWXTSKM-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C(C)C)cc2)[C@H]1C ZINC001089000555 801816016 /nfs/dbraw/zinc/81/60/16/801816016.db2.gz LSLCHOUHMYSANK-QAPCUYQASA-N 1 1 298.430 3.026 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc([C@H](C)CC)cc2)[C@H]1C ZINC001089063769 801818858 /nfs/dbraw/zinc/81/88/58/801818858.db2.gz RNMBUFJHOQWJCX-RKVPGOIHSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccc(F)s2)[C@H]1C ZINC001089072119 801820740 /nfs/dbraw/zinc/82/07/40/801820740.db2.gz KXTRSEODFSMLIW-NEPJUHHUSA-N 1 1 296.411 3.046 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)C2CC2)CC(C)(C)C1 ZINC001089356127 801835440 /nfs/dbraw/zinc/83/54/40/801835440.db2.gz VCZKSLMSZBJDNN-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C=C2CCC2)CC(C)(C)C1 ZINC001089358861 801836387 /nfs/dbraw/zinc/83/63/87/801836387.db2.gz ZWQRFEBNQZUHFX-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO COc1cccc2c1CC[C@@H]([N@H+]1CCC[C@@H](CC#N)C1)C2 ZINC001256649322 806940333 /nfs/dbraw/zinc/94/03/33/806940333.db2.gz BLPBKTVIQHWEDI-GOEBONIOSA-N 1 1 284.403 3.178 20 30 CGEDMO COc1cccc2c1CC[C@H]([N@H+]1CCC[C@@H](CC#N)C1)C2 ZINC001256649324 806940340 /nfs/dbraw/zinc/94/03/40/806940340.db2.gz BLPBKTVIQHWEDI-HOCLYGCPSA-N 1 1 284.403 3.178 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C)C(C)(C)C)C[C@]2(C)C1 ZINC001091785400 801860221 /nfs/dbraw/zinc/86/02/21/801860221.db2.gz AKTIUUNHYWTNDM-DAYGRLMNSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](CNC(=O)C2CCCCC2)[C@H](C)C1 ZINC001092435955 801863155 /nfs/dbraw/zinc/86/31/55/801863155.db2.gz AYIVKZKSAWBFKK-NVXWUHKLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccsc1)C2 ZINC001095152396 801881219 /nfs/dbraw/zinc/88/12/19/801881219.db2.gz GGPQICHDDBSSAF-ILXRZTDVSA-N 1 1 290.432 3.049 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)=C1CCC1)C2 ZINC001095398395 801882645 /nfs/dbraw/zinc/88/26/45/801882645.db2.gz JWXDDALMLUVSFN-IKGGRYGDSA-N 1 1 288.435 3.175 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C)CCCCC1)C2 ZINC001095961869 801886689 /nfs/dbraw/zinc/88/66/89/801886689.db2.gz SBGGCPPOYZGKEM-PMPSAXMXSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC(C)(C)C1)C2 ZINC001095908968 801888120 /nfs/dbraw/zinc/88/81/20/801888120.db2.gz FFHARDCQTWFMBP-PMPSAXMXSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C(C)C)cc1)C2 ZINC001096414491 801889407 /nfs/dbraw/zinc/88/94/07/801889407.db2.gz IVWWDTROXHCUHW-SQNIBIBYSA-N 1 1 298.430 3.331 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C)c(C)c1)C2 ZINC001096476884 801890511 /nfs/dbraw/zinc/89/05/11/801890511.db2.gz RLSRYPJRZSUQQO-SQNIBIBYSA-N 1 1 298.430 3.215 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1=CCCCC1)C2 ZINC001096883236 801896335 /nfs/dbraw/zinc/89/63/35/801896335.db2.gz AQTPIEOYPCAMIQ-ZACQAIPSSA-N 1 1 288.435 3.175 20 30 CGEDMO C=CCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CCCCC2)C1 ZINC001098708522 801912632 /nfs/dbraw/zinc/91/26/32/801912632.db2.gz XQQQWMPYWBDPDL-WMZOPIPTSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCCCCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(C)=O ZINC001098821702 801916633 /nfs/dbraw/zinc/91/66/33/801916633.db2.gz RQNHPFFWMGTOJG-INIZCTEOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(Cl)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C=C(C)C ZINC001098889676 801920342 /nfs/dbraw/zinc/92/03/42/801920342.db2.gz UWMXMNUEFPYOKE-AWEZNQCLSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C=C(C)C ZINC001098889676 801920346 /nfs/dbraw/zinc/92/03/46/801920346.db2.gz UWMXMNUEFPYOKE-AWEZNQCLSA-N 1 1 298.858 3.312 20 30 CGEDMO CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC(C)C ZINC001098895186 801920551 /nfs/dbraw/zinc/92/05/51/801920551.db2.gz QZTLKBWWWDZMMJ-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)CCC ZINC001098983655 801924013 /nfs/dbraw/zinc/92/40/13/801924013.db2.gz SEQIXRFTSSSCKO-HOTGVXAUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C)ccc2C)C1 ZINC001099136388 801930014 /nfs/dbraw/zinc/93/00/14/801930014.db2.gz CNELAPLYEHHEIE-LPHOPBHVSA-N 1 1 298.430 3.074 20 30 CGEDMO C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCC1CC1 ZINC001099189841 801932006 /nfs/dbraw/zinc/93/20/06/801932006.db2.gz XVHYSTYSVZBNMW-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H](C)C1CC1 ZINC001099360557 801935415 /nfs/dbraw/zinc/93/54/15/801935415.db2.gz YPNPXSUJHOXSNM-HOCLYGCPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)/C(C)=C/CC)C[C@]2(C)C1 ZINC001101155180 801973768 /nfs/dbraw/zinc/97/37/68/801973768.db2.gz LRMCHJLLKUQHEO-IMBVHSNNSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CN(C(=O)CC[C@H](C)CC)C[C@]2(C)C1 ZINC001101403666 801977466 /nfs/dbraw/zinc/97/74/66/801977466.db2.gz PEDIZWISZDCOKN-NUJGCVRESA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCCC(=O)N1C[C@H]2C[N@H+](C[C@H](C)CC)C[C@@]2(C)C1 ZINC001101346797 801977844 /nfs/dbraw/zinc/97/78/44/801977844.db2.gz IFIYYDYCPUYYRN-NUJGCVRESA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](CNC(=O)C=C2CCCCC2)[C@H](C)C1 ZINC001101776129 801990048 /nfs/dbraw/zinc/99/00/48/801990048.db2.gz MFQDYDSTVVKOTR-NVXWUHKLSA-N 1 1 290.451 3.137 20 30 CGEDMO CCCCCCC[N@@H+]1C[C@@H](CNC(=O)C(C)C)[C@H](C)C1 ZINC001101734680 801990226 /nfs/dbraw/zinc/99/02/26/801990226.db2.gz QOUYUXGXLSUYCK-HZPDHXFCSA-N 1 1 282.472 3.297 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1C[N@@H+](C[C@H](C)CC(C)C)C[C@H]1C ZINC001101805266 801991672 /nfs/dbraw/zinc/99/16/72/801991672.db2.gz KHOMYSVJNJDSNB-BRWVUGGUSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)/C=C(/C)CC)[C@H](C)C1 ZINC001101943292 801996230 /nfs/dbraw/zinc/99/62/30/801996230.db2.gz PCMPVKZCFWABKY-KAWDRADOSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1C[N@@H+](C[C@H](C)CC)C[C@H]1C ZINC001102003680 801997460 /nfs/dbraw/zinc/99/74/60/801997460.db2.gz KEAJZAGPTYWDLM-BZUAXINKSA-N 1 1 294.483 3.319 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](CNC(=O)C(C)(C)C(=C)Cl)[C@H](C)C1 ZINC001102000283 801998188 /nfs/dbraw/zinc/99/81/88/801998188.db2.gz JIQNWGCICKICPA-TZMCWYRMSA-N 1 1 298.858 3.025 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](CNC(=O)CCCCC(C)C)[C@H](C)C1 ZINC001102472571 802008752 /nfs/dbraw/zinc/00/87/52/802008752.db2.gz JXMMLBNQGZHJFO-HZPDHXFCSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](CNC(=O)CCC2(C)CC2)[C@H](C)C1 ZINC001102495295 802011021 /nfs/dbraw/zinc/01/10/21/802011021.db2.gz NEGCXPBLPKRLCR-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)C(C)(CC)CC)[C@H](C)C1 ZINC001102588147 802012373 /nfs/dbraw/zinc/01/23/73/802012373.db2.gz PILSKDQISVSWKT-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC2)C1 ZINC001102630869 802014193 /nfs/dbraw/zinc/01/41/93/802014193.db2.gz BMOBRKWZEBVFBT-NVXWUHKLSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)C2CC2)C1 ZINC001102828224 802021473 /nfs/dbraw/zinc/02/14/73/802021473.db2.gz ISHVXIDZKKIMJR-BFYDXBDKSA-N 1 1 292.467 3.073 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)/C=C(\C)CC)C1 ZINC001102950868 802023149 /nfs/dbraw/zinc/02/31/49/802023149.db2.gz AMULADNSYAGIGA-HPKIFAADSA-N 1 1 292.467 3.383 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)/C=C(/C)CC)C1 ZINC001102950870 802024504 /nfs/dbraw/zinc/02/45/04/802024504.db2.gz AMULADNSYAGIGA-OIORMYRMSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCC(CC=C)C(=O)NCC[C@@H]1C[N@H+](CC=C)C[C@H]1C ZINC001103021642 802025196 /nfs/dbraw/zinc/02/51/96/802025196.db2.gz CAOOQEHZDYIFJH-NVXWUHKLSA-N 1 1 290.451 3.015 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)C=C)C1 ZINC001103313622 802028883 /nfs/dbraw/zinc/02/88/83/802028883.db2.gz SOTSPLVMRQZLKG-HZPDHXFCSA-N 1 1 292.467 3.239 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(C)CCC2)C1 ZINC001103324295 802030284 /nfs/dbraw/zinc/03/02/84/802030284.db2.gz VHUSAMYDXVHGGO-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCF)C1 ZINC001103324160 802031403 /nfs/dbraw/zinc/03/14/03/802031403.db2.gz OEUSSCVLZXDVOS-OWCLPIDISA-N 1 1 298.446 3.165 20 30 CGEDMO C=CCCCC(=O)NCC[C@@H]1C[N@H+](CCC(=C)C)C[C@H]1C ZINC001103382401 802033236 /nfs/dbraw/zinc/03/32/36/802033236.db2.gz IMJZEVNMWVYWHY-IAGOWNOFSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(CNC(=O)CC3(C)CC3)CCC[C@@H]12 ZINC001107479398 802088296 /nfs/dbraw/zinc/08/82/96/802088296.db2.gz CUKMOPSNYYFBQF-CRAIPNDOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCC)CC2 ZINC001107502594 802090632 /nfs/dbraw/zinc/09/06/32/802090632.db2.gz KRCWTUXCUNJBAP-CRAIPNDOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C(C)(C)C)C2 ZINC001109607321 802119557 /nfs/dbraw/zinc/11/95/57/802119557.db2.gz SLWMWNKHQFIQBU-ILXRZTDVSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)CC)C2 ZINC001109660955 802121060 /nfs/dbraw/zinc/12/10/60/802121060.db2.gz MEKGAWDNFUKWSU-ILXRZTDVSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(C)C)CC1 ZINC001109681949 802123157 /nfs/dbraw/zinc/12/31/57/802123157.db2.gz NJPPNFWCEGJGSX-PMPSAXMXSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)/C(C)=C\CC)C2 ZINC001110349655 802139119 /nfs/dbraw/zinc/13/91/19/802139119.db2.gz UHPNTRNSGYWRRC-JTDPPFCRSA-N 1 1 276.424 3.030 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CCC1)C2 ZINC001110419722 802140607 /nfs/dbraw/zinc/14/06/07/802140607.db2.gz XBVMINSRNJXRBQ-DZUCGIPZSA-N 1 1 290.451 3.253 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)CCCC)C2 ZINC001110519399 802144062 /nfs/dbraw/zinc/14/40/62/802144062.db2.gz UVDBTFGCPZBZPM-FPCVCCKLSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)/C=C(\C)CC)C2 ZINC001110535600 802145000 /nfs/dbraw/zinc/14/50/00/802145000.db2.gz RQWYMLRADTWZKW-IKCKZBHESA-N 1 1 290.451 3.419 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C)CCC1)C2 ZINC001110896810 802149178 /nfs/dbraw/zinc/14/91/78/802149178.db2.gz WFAWDOMPXXRALM-FPCVCCKLSA-N 1 1 290.451 3.253 20 30 CGEDMO CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCC ZINC001110928698 802149802 /nfs/dbraw/zinc/14/98/02/802149802.db2.gz AOTFBXRNMXBAMG-ZACQAIPSSA-N 1 1 290.451 3.092 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C/Cl ZINC001110934569 802149947 /nfs/dbraw/zinc/14/99/47/802149947.db2.gz IEMWBBVHGFNQCS-ATQWOKCPSA-N 1 1 296.842 3.063 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C/C=C/Cl ZINC001110934569 802149953 /nfs/dbraw/zinc/14/99/53/802149953.db2.gz IEMWBBVHGFNQCS-ATQWOKCPSA-N 1 1 296.842 3.063 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC ZINC001110934588 802150958 /nfs/dbraw/zinc/15/09/58/802150958.db2.gz ITOGERXRCYTRMR-JJXSEGSLSA-N 1 1 278.440 3.110 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)CC(C)(C)C)C2 ZINC001111105858 802154956 /nfs/dbraw/zinc/15/49/56/802154956.db2.gz QBNAEALFWSHRHW-FPCVCCKLSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@H](C)CC)C2 ZINC001111178472 802156173 /nfs/dbraw/zinc/15/61/73/802156173.db2.gz ULRCGOQTWXQCQP-FPCVCCKLSA-N 1 1 278.440 3.110 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[C@@H](C)CC)C2 ZINC001111176333 802157286 /nfs/dbraw/zinc/15/72/86/802157286.db2.gz KNOJRQCDPTVWEH-JJXSEGSLSA-N 1 1 278.440 3.110 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3C(C)C)CCCC1 ZINC001111523384 802159782 /nfs/dbraw/zinc/15/97/82/802159782.db2.gz XTAFRBLZTZRXJU-OAGGEKHMSA-N 1 1 290.451 3.253 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC)C1 ZINC001111594719 802163102 /nfs/dbraw/zinc/16/31/02/802163102.db2.gz IZAOJSULCNMKAK-RDJZCZTQSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC[C@H](C)F)C2 ZINC001111764917 802169239 /nfs/dbraw/zinc/16/92/39/802169239.db2.gz JGEDOMRVDVAEIG-ZOBUZTSGSA-N 1 1 296.430 3.062 20 30 CGEDMO C#CCCCC(=O)N1CC[NH+]([C@@H](C)c2cccc(C)c2)CC1 ZINC001112809625 802189957 /nfs/dbraw/zinc/18/99/57/802189957.db2.gz MXACGHYQPDIJMI-KRWDZBQOSA-N 1 1 298.430 3.004 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[NH+](CC2=CCCCC2)CC1 ZINC001112894870 802195918 /nfs/dbraw/zinc/19/59/18/802195918.db2.gz PWJNVQFIWWCKHV-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)C[C@@H](C)CCC=C(C)C)CC1 ZINC001113372467 802217184 /nfs/dbraw/zinc/21/71/84/802217184.db2.gz GFGYFKFUIVSRDD-KRWDZBQOSA-N 1 1 292.467 3.479 20 30 CGEDMO C=C[C@@H](CC(=O)N1CC[NH+](CC(=C)C)CC1)c1ccccc1 ZINC001113667321 802229784 /nfs/dbraw/zinc/22/97/84/802229784.db2.gz ZBPDHSIZBQTORN-KRWDZBQOSA-N 1 1 298.430 3.067 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccc(C)c1 ZINC001113805570 802234116 /nfs/dbraw/zinc/23/41/16/802234116.db2.gz GLORTUOYCAOPFF-BGTYHANMSA-N 1 1 298.430 3.010 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@@H]2C(NC(=O)/C=C(/C)CC)[C@@H]2C1 ZINC001114243531 802240705 /nfs/dbraw/zinc/24/07/05/802240705.db2.gz ZALSDDTUFKXVAK-RDBAHBQMSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](CCCC(C)C)C[C@H]21 ZINC001114894698 802246913 /nfs/dbraw/zinc/24/69/13/802246913.db2.gz KFVXWHBBPHLZJD-ZSHCYNCHSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)CC(C)C ZINC001115098575 802252422 /nfs/dbraw/zinc/25/24/22/802252422.db2.gz KBSRSMCTSOTRGQ-ZSHCYNCHSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCCCCCCC ZINC001115163454 802254452 /nfs/dbraw/zinc/25/44/52/802254452.db2.gz HBLUMJAUZLATDI-VQFNDLOPSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)CCCCC ZINC001115272984 802255938 /nfs/dbraw/zinc/25/59/38/802255938.db2.gz CKMAWDXKIJJILL-NCOADZHNSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001116345808 802332257 /nfs/dbraw/zinc/33/22/57/802332257.db2.gz HPKBMIVRGMOXFK-CABCVRRESA-N 1 1 299.418 3.069 20 30 CGEDMO COc1ccc(N[NH+]=Cc2ccc(N)c(Cl)c2)cc1 ZINC001116365298 802337244 /nfs/dbraw/zinc/33/72/44/802337244.db2.gz INKZBGQGMYYECI-UHFFFAOYSA-N 1 1 275.739 3.377 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+]([C@@H](C)c2cc(F)ccc2F)C1 ZINC001116542348 802374414 /nfs/dbraw/zinc/37/44/14/802374414.db2.gz RNKWRGFZCASNMF-WCQYABFASA-N 1 1 267.319 3.303 20 30 CGEDMO C#CC[N@H+](CC1CC1)[C@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC001117993140 802516512 /nfs/dbraw/zinc/51/65/12/802516512.db2.gz NXCYGZPBBMSNAV-CQSZACIVSA-N 1 1 295.386 3.451 20 30 CGEDMO C#CC[N@@H+](CC1CC1)[C@H](C)c1nnc(-c2cccc(C)c2)o1 ZINC001117993140 802516515 /nfs/dbraw/zinc/51/65/15/802516515.db2.gz NXCYGZPBBMSNAV-CQSZACIVSA-N 1 1 295.386 3.451 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)C2)s1 ZINC001118304397 802547560 /nfs/dbraw/zinc/54/75/60/802547560.db2.gz GWXQTIQQCGKZIL-MRVPVSSYSA-N 1 1 260.284 3.004 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)s1 ZINC001118304397 802547568 /nfs/dbraw/zinc/54/75/68/802547568.db2.gz GWXQTIQQCGKZIL-MRVPVSSYSA-N 1 1 260.284 3.004 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC001118321422 802549797 /nfs/dbraw/zinc/54/97/97/802549797.db2.gz OFOLCSFJFDNNPG-AEFFLSMTSA-N 1 1 298.430 3.489 20 30 CGEDMO C#CC[N@@H+](Cc1cc(OCC)c(OC)cc1F)CC1CC1 ZINC001118938479 802619729 /nfs/dbraw/zinc/61/97/29/802619729.db2.gz IBYFJPWXWMAXSC-UHFFFAOYSA-N 1 1 291.366 3.078 20 30 CGEDMO C#CC[N@H+](Cc1cc(OCC)c(OC)cc1F)CC1CC1 ZINC001118938479 802619732 /nfs/dbraw/zinc/61/97/32/802619732.db2.gz IBYFJPWXWMAXSC-UHFFFAOYSA-N 1 1 291.366 3.078 20 30 CGEDMO N#CCC1(C[N@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)CC1 ZINC001119252364 802639407 /nfs/dbraw/zinc/63/94/07/802639407.db2.gz BZXMJZBLOQPBOI-CQSZACIVSA-N 1 1 294.402 3.436 20 30 CGEDMO CCC[C@H](C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)c1ccccc1 ZINC001119515624 802675127 /nfs/dbraw/zinc/67/51/27/802675127.db2.gz IKYLYLSZUFRKNR-ZIFCJYIRSA-N 1 1 299.462 3.488 20 30 CGEDMO Cc1cc(C#N)ccc1N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC001119943023 802712372 /nfs/dbraw/zinc/71/23/72/802712372.db2.gz JXMNXCLYEFUBNZ-INIZCTEOSA-N 1 1 294.402 3.059 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(C)=O)C1 ZINC001120271961 802737097 /nfs/dbraw/zinc/73/70/97/802737097.db2.gz INOJPHYTODSDST-ROUUACIJSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC001120279574 802738479 /nfs/dbraw/zinc/73/84/79/802738479.db2.gz KEKHOWGSLDEJDJ-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]([C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001120348245 802740573 /nfs/dbraw/zinc/74/05/73/802740573.db2.gz SBVLCOVMGWKMQC-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]([C@H]2CCC[N@@H+]2CC)C1 ZINC001120422326 802744782 /nfs/dbraw/zinc/74/47/82/802744782.db2.gz LPYKCQOCUQKRKN-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+]2CC=C)C1 ZINC001120422054 802744929 /nfs/dbraw/zinc/74/49/29/802744929.db2.gz IREXEPCVCRGEKF-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C[N@H+]1CCc2cc(C3=CC[C@H](C#N)CC3)ccc2C1 ZINC001243793702 803011887 /nfs/dbraw/zinc/01/18/87/803011887.db2.gz NIQHLALJTNLPCA-ZDUSSCGKSA-N 1 1 252.361 3.382 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@H](NC(=O)CC)CC[C@@H]1C ZINC001131736219 803337997 /nfs/dbraw/zinc/33/79/97/803337997.db2.gz WOJCAUIAHHYQIO-LSDHHAIUSA-N 1 1 266.429 3.112 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)CCC(C)C)CC[C@H]1C ZINC001131788980 803347231 /nfs/dbraw/zinc/34/72/31/803347231.db2.gz ZUSNRWUSJFDPRK-HZPDHXFCSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)c2occc2C)CC[C@H]1C ZINC001131808936 803347664 /nfs/dbraw/zinc/34/76/64/803347664.db2.gz QRHFVZDZWPVSJI-CABCVRRESA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(CC)CC)C1 ZINC001131896899 803355391 /nfs/dbraw/zinc/35/53/91/803355391.db2.gz WZDXMQWIWMTBPY-GDBMZVCRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CCCCC)C1 ZINC001131895119 803356309 /nfs/dbraw/zinc/35/63/09/803356309.db2.gz FWUHKVUAJFNNGV-CABCVRRESA-N 1 1 266.429 3.112 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@H](NC(=O)/C=C(\C)C2CC2)CC[C@@H]1C ZINC001131904596 803356330 /nfs/dbraw/zinc/35/63/30/803356330.db2.gz SSBRGTPQTJECDY-IVHIMIEMSA-N 1 1 296.842 3.064 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)/C=C(\C)C2CC2)CC[C@@H]1C ZINC001131904596 803356338 /nfs/dbraw/zinc/35/63/38/803356338.db2.gz SSBRGTPQTJECDY-IVHIMIEMSA-N 1 1 296.842 3.064 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@H](NC(=O)/C=C/C(C)(C)C)CC[C@@H]1C ZINC001131911794 803357589 /nfs/dbraw/zinc/35/75/89/803357589.db2.gz NSCUCHARHBRTEB-NYCDYWJRSA-N 1 1 298.858 3.310 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)/C=C/C(C)(C)C)CC[C@@H]1C ZINC001131911794 803357597 /nfs/dbraw/zinc/35/75/97/803357597.db2.gz NSCUCHARHBRTEB-NYCDYWJRSA-N 1 1 298.858 3.310 20 30 CGEDMO C=CCC[N@H+]1C[C@H](NC(=O)C2(CC(C)C)CC2)CC[C@@H]1C ZINC001132086150 803373129 /nfs/dbraw/zinc/37/31/29/803373129.db2.gz CVACZOSBWBZQIH-JKSUJKDBSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)C2(C3CC3)CC2)CC[C@H]1C ZINC001132119691 803374092 /nfs/dbraw/zinc/37/40/92/803374092.db2.gz GYLARFKNWQXSJX-GDBMZVCRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCCC)C1 ZINC001132221764 803379854 /nfs/dbraw/zinc/37/98/54/803379854.db2.gz NNLRWWXRPTYWPC-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)C(C)(C)C(=C)C)CC[C@H]1C ZINC001132219071 803380320 /nfs/dbraw/zinc/38/03/20/803380320.db2.gz ZNQRNNNSKMOXGO-HUUCEWRRSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](CC2CCCC2)C1 ZINC001132228146 803383566 /nfs/dbraw/zinc/38/35/66/803383566.db2.gz MVUACAHKHNDYGM-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C2CC2)CC[C@H]1C ZINC001132236923 803385811 /nfs/dbraw/zinc/38/58/11/803385811.db2.gz ASLWUVBNPUQLNO-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(C)(C)C)CC[C@H]1C ZINC001132241088 803385857 /nfs/dbraw/zinc/38/58/57/803385857.db2.gz QOGBZOFFXMKSHY-CABCVRRESA-N 1 1 292.467 3.051 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)C2(CC)CC2)CC[C@@H]1C ZINC001132283083 803392131 /nfs/dbraw/zinc/39/21/31/803392131.db2.gz RFQMFUGVDIVHBY-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)CC(CC)CC)CC[C@@H]1C ZINC001132392570 803399275 /nfs/dbraw/zinc/39/92/75/803399275.db2.gz MNQFYFMFOGAIEK-HOCLYGCPSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)C(C)(C)CC(C)C)CC[C@H]1C ZINC001132417367 803402883 /nfs/dbraw/zinc/40/28/83/803402883.db2.gz WNAIWXYWZNSJTK-CABCVRRESA-N 1 1 280.456 3.214 20 30 CGEDMO Cc1c(C#N)cccc1-c1cccc(C[NH+]2CCOCC2)c1 ZINC001244816158 803535087 /nfs/dbraw/zinc/53/50/87/803535087.db2.gz XUCJLIFVSNIXNZ-UHFFFAOYSA-N 1 1 292.382 3.366 20 30 CGEDMO COc1nc2ccccc2cc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001137206811 803696450 /nfs/dbraw/zinc/69/64/50/803696450.db2.gz LPIBMIPINCCQCI-AWEZNQCLSA-N 1 1 295.386 3.369 20 30 CGEDMO Cc1c(C[N@@H+](C)Cc2ccc(C#N)cc2)nc2ccccn12 ZINC001137272368 803706331 /nfs/dbraw/zinc/70/63/31/803706331.db2.gz SMZKYKGFTXLFJA-UHFFFAOYSA-N 1 1 290.370 3.146 20 30 CGEDMO Cc1c(C[N@H+](C)Cc2ccc(C#N)cc2)nc2ccccn12 ZINC001137272368 803706335 /nfs/dbraw/zinc/70/63/35/803706335.db2.gz SMZKYKGFTXLFJA-UHFFFAOYSA-N 1 1 290.370 3.146 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)c(C#N)c1 ZINC001137699447 803760401 /nfs/dbraw/zinc/76/04/01/803760401.db2.gz IHZPSTQIAKERBG-KGLIPLIRSA-N 1 1 270.376 3.189 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@H](C)[C@H](C)C2)c(C#N)c1 ZINC001137699507 803761236 /nfs/dbraw/zinc/76/12/36/803761236.db2.gz JWEAHTWLYKARTK-UONOGXRCSA-N 1 1 272.392 3.435 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1c([O-])cccc1F ZINC001137840348 803779468 /nfs/dbraw/zinc/77/94/68/803779468.db2.gz YMKBLVDKXXEFSM-UHFFFAOYSA-N 1 1 270.307 3.035 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1c(O)cccc1F ZINC001137840348 803779478 /nfs/dbraw/zinc/77/94/78/803779478.db2.gz YMKBLVDKXXEFSM-UHFFFAOYSA-N 1 1 270.307 3.035 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1c(O)cccc1F ZINC001137840348 803779485 /nfs/dbraw/zinc/77/94/85/803779485.db2.gz YMKBLVDKXXEFSM-UHFFFAOYSA-N 1 1 270.307 3.035 20 30 CGEDMO Cc1cccc(C)c1C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001137847731 803781810 /nfs/dbraw/zinc/78/18/10/803781810.db2.gz CORYCXQEWQVVON-OAHLLOKOSA-N 1 1 273.401 3.078 20 30 CGEDMO Cc1cccc(C)c1C[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001137847731 803781813 /nfs/dbraw/zinc/78/18/13/803781813.db2.gz CORYCXQEWQVVON-OAHLLOKOSA-N 1 1 273.401 3.078 20 30 CGEDMO Cc1cccc(C)c1C[N@H+]1CCC2SC(=O)C=C2C1 ZINC001137847731 803781818 /nfs/dbraw/zinc/78/18/18/803781818.db2.gz CORYCXQEWQVVON-OAHLLOKOSA-N 1 1 273.401 3.078 20 30 CGEDMO Fc1c(Cl)cccc1C[NH+]1CCC(S)CC1 ZINC001137962314 803809330 /nfs/dbraw/zinc/80/93/30/803809330.db2.gz AZOLCQXAMBZYMG-UHFFFAOYSA-N 1 1 259.777 3.373 20 30 CGEDMO CCOc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1 ZINC001138101232 803854331 /nfs/dbraw/zinc/85/43/31/803854331.db2.gz RUAZULLEVLOOGZ-PHZGNYQRSA-N 1 1 270.376 3.352 20 30 CGEDMO C=CC[NH+](CC=C)Cc1ccc(N2CCCCC2)o1 ZINC001138177466 803872626 /nfs/dbraw/zinc/87/26/26/803872626.db2.gz WFRGQOMRFXANFI-UHFFFAOYSA-N 1 1 260.381 3.444 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)o2)C1 ZINC001138177097 803873180 /nfs/dbraw/zinc/87/31/80/803873180.db2.gz GFBJNBTUROHNRO-HNNXBMFYSA-N 1 1 272.392 3.115 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CC[C@H]3CCC[C@H]3C2)cc1OC ZINC001138343038 803898897 /nfs/dbraw/zinc/89/88/97/803898897.db2.gz FMOQGSPBGXEVSP-SJORKVTESA-N 1 1 299.414 3.329 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@H]2CC)cc1OC ZINC001138345568 803899454 /nfs/dbraw/zinc/89/94/54/803899454.db2.gz JLHAULYYKOAYMC-OAHLLOKOSA-N 1 1 273.376 3.082 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC23CCCC3)cc1OC ZINC001138344104 803899650 /nfs/dbraw/zinc/89/96/50/803899650.db2.gz XIOHCFSUILFZNV-UHFFFAOYSA-N 1 1 285.387 3.226 20 30 CGEDMO COc1ccc2[nH]cc(C[N@@H+]3[C@@H]4CC[C@H]3C[C@H](C#N)C4)c2c1 ZINC001138510409 803955550 /nfs/dbraw/zinc/95/55/50/803955550.db2.gz BLYWCUOOBTZMJK-XMQYKBBCSA-N 1 1 295.386 3.443 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C)cc1 ZINC001138557438 803965838 /nfs/dbraw/zinc/96/58/38/803965838.db2.gz LDFGKFUVQNGPKK-CABCVRRESA-N 1 1 257.377 3.319 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CCCC[C@@H](F)C2)c1O ZINC001138625505 803982164 /nfs/dbraw/zinc/98/21/64/803982164.db2.gz MQVOEZFVWPMGPO-OAHLLOKOSA-N 1 1 263.356 3.445 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CCC[C@@](C)(O)[C@H](C)C2)c1O ZINC001138625328 803983896 /nfs/dbraw/zinc/98/38/96/803983896.db2.gz JITMGFHHXZTURH-RDTXWAMCSA-N 1 1 289.419 3.104 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CC[C@]3(CC3(F)F)C2)c1O ZINC001138628563 803984747 /nfs/dbraw/zinc/98/47/47/803984747.db2.gz XHAOUCNZBCVBRP-HNNXBMFYSA-N 1 1 279.330 3.352 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+](C)[C@H]1CC[C@H](O)CC1 ZINC001138661600 803994079 /nfs/dbraw/zinc/99/40/79/803994079.db2.gz DRRFZSZSERFEKG-QAQDUYKDSA-N 1 1 289.419 3.377 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+](C)CCSC ZINC001138666485 803999861 /nfs/dbraw/zinc/99/98/61/803999861.db2.gz UYLKZIZYJFBLCJ-UHFFFAOYSA-N 1 1 265.422 3.436 20 30 CGEDMO CCC(=O)Oc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC001138965937 804088487 /nfs/dbraw/zinc/08/84/87/804088487.db2.gz FIYVYNFMYLAJTP-AWEZNQCLSA-N 1 1 286.375 3.128 20 30 CGEDMO CCCCCCCC[C@@H](O)CNc1ccc(N)[nH+]c1 ZINC001245954472 804089961 /nfs/dbraw/zinc/08/99/61/804089961.db2.gz GKVAHJRPDCXRNY-CQSZACIVSA-N 1 1 265.401 3.187 20 30 CGEDMO C=CCN1CC[NH+](Cc2ccc(OCC(C)C)cc2)CC1 ZINC001138971682 804096379 /nfs/dbraw/zinc/09/63/79/804096379.db2.gz VPGGONOMYLADRL-UHFFFAOYSA-N 1 1 288.435 3.025 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[N@@H+]1CCNC2(CC2)C1 ZINC001246043410 804101983 /nfs/dbraw/zinc/10/19/83/804101983.db2.gz CONGEAPWHBQWTA-KRWDZBQOSA-N 1 1 296.499 3.316 20 30 CGEDMO CCCCCCCCCC[C@H](O)C[N@H+]1CCNC2(CC2)C1 ZINC001246043410 804101986 /nfs/dbraw/zinc/10/19/86/804101986.db2.gz CONGEAPWHBQWTA-KRWDZBQOSA-N 1 1 296.499 3.316 20 30 CGEDMO CCCCCCCCCC[C@@H](O)CN(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246060131 804104195 /nfs/dbraw/zinc/10/41/95/804104195.db2.gz FTOLMSAXAZSTQU-BDXSIMOUSA-N 1 1 296.499 3.028 20 30 CGEDMO COc1ccc2c(c1)c(C[N@H+]1CCC[C@@H](CC#N)C1)cn2C ZINC001139150537 804137691 /nfs/dbraw/zinc/13/76/91/804137691.db2.gz PLHWMEHJLHKDJG-AWEZNQCLSA-N 1 1 297.402 3.313 20 30 CGEDMO CCCCCCCCC[C@@H](C)[NH2+][C@H]1CNC[C@H]1F ZINC001246129311 804156354 /nfs/dbraw/zinc/15/63/54/804156354.db2.gz VMWNDOHGSHHZBN-KFWWJZLASA-N 1 1 258.425 3.415 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(Oc2ccc(C#N)cc2)nc1 ZINC001139425452 804189117 /nfs/dbraw/zinc/18/91/17/804189117.db2.gz PBKMIYHLBXBGSL-UHFFFAOYSA-N 1 1 279.343 3.363 20 30 CGEDMO COCC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001139527263 804202239 /nfs/dbraw/zinc/20/22/39/804202239.db2.gz CVOBOSPSUJEZHN-HNNXBMFYSA-N 1 1 276.355 3.088 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c1 ZINC001139645866 804240923 /nfs/dbraw/zinc/24/09/23/804240923.db2.gz CKNYOONCFUXALR-BETUJISGSA-N 1 1 280.293 3.174 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)c1 ZINC001139645866 804240931 /nfs/dbraw/zinc/24/09/31/804240931.db2.gz CKNYOONCFUXALR-BETUJISGSA-N 1 1 280.293 3.174 20 30 CGEDMO C#Cc1ccc(CN[C@@H]2CC[NH2+]C3(CCCCC3)C2)cc1 ZINC001246264306 804246329 /nfs/dbraw/zinc/24/63/29/804246329.db2.gz IPQUDXHERCWXRM-GOSISDBHSA-N 1 1 282.431 3.212 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2c[nH]c3c2cccc3C#N)CCC[C@]1(C)O ZINC001139701611 804258277 /nfs/dbraw/zinc/25/82/77/804258277.db2.gz MEFGYLDISAXMGR-UGSOOPFHSA-N 1 1 297.402 3.022 20 30 CGEDMO N#Cc1cccc2c(C[N@H+]3CCC4(CC4)C3)c[nH]c21 ZINC001139704727 804260108 /nfs/dbraw/zinc/26/01/08/804260108.db2.gz XMIDTAXQWWTWDR-UHFFFAOYSA-N 1 1 251.333 3.025 20 30 CGEDMO CCCCCCCC[C@@H](CCC)[NH2+][C@@]1(CO)CCNC1 ZINC001246289045 804260688 /nfs/dbraw/zinc/26/06/88/804260688.db2.gz OCBMZJMIWBSQMK-SJORKVTESA-N 1 1 284.488 3.220 20 30 CGEDMO Cc1ccc(C[N@@H+](C)Cc2cccc3c2OCO3)cc1C#N ZINC001139726944 804266736 /nfs/dbraw/zinc/26/67/36/804266736.db2.gz CRQMATOLZUHOJS-UHFFFAOYSA-N 1 1 294.354 3.227 20 30 CGEDMO Cc1ccc(C[N@H+](C)Cc2cccc3c2OCO3)cc1C#N ZINC001139726944 804266744 /nfs/dbraw/zinc/26/67/44/804266744.db2.gz CRQMATOLZUHOJS-UHFFFAOYSA-N 1 1 294.354 3.227 20 30 CGEDMO C=CCn1cc(C[N@@H+](CC)Cc2cccs2)cn1 ZINC001139770881 804278921 /nfs/dbraw/zinc/27/89/21/804278921.db2.gz FMSQJXOUSUNBOF-UHFFFAOYSA-N 1 1 261.394 3.153 20 30 CGEDMO C=CCn1cc(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)cn1 ZINC001139774565 804281110 /nfs/dbraw/zinc/28/11/10/804281110.db2.gz MLXQHDZSTCNBFK-SFHVURJKSA-N 1 1 299.393 3.415 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(F)cc2Cl)no1 ZINC001212325012 815005538 /nfs/dbraw/zinc/00/55/38/815005538.db2.gz FJPHKYZHASXNHR-LBPRGKRZSA-N 1 1 293.729 3.332 20 30 CGEDMO N#Cc1cc(F)cc(C[N@H+]2CC[C@@H](F)C(F)(F)CC2)c1 ZINC001139873288 804304845 /nfs/dbraw/zinc/30/48/45/804304845.db2.gz IKDXWVUFLOVUHT-CYBMUJFWSA-N 1 1 286.272 3.267 20 30 CGEDMO N#Cc1cc(F)cc(C[N@@H+]2CC[C@@H](F)C(F)(F)CC2)c1 ZINC001139873288 804304854 /nfs/dbraw/zinc/30/48/54/804304854.db2.gz IKDXWVUFLOVUHT-CYBMUJFWSA-N 1 1 286.272 3.267 20 30 CGEDMO N#Cc1cc(F)cc(C[N@@H+]2CCC[C@H]2c2cccnc2)c1 ZINC001139873656 804305678 /nfs/dbraw/zinc/30/56/78/804305678.db2.gz ZIQMPRTVRKGOPS-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1cc(F)cc(C[N@H+]2CCC[C@H]2c2cccnc2)c1 ZINC001139873656 804305685 /nfs/dbraw/zinc/30/56/85/804305685.db2.gz ZIQMPRTVRKGOPS-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO COC[C@@H]1CCCC[N@H+]1Cc1c[nH]c2ccc(C#N)cc12 ZINC001140110054 804379784 /nfs/dbraw/zinc/37/97/84/804379784.db2.gz DPHXUQSUQIFKNH-HNNXBMFYSA-N 1 1 283.375 3.040 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1ccc(O)cc1F ZINC001140129366 804383939 /nfs/dbraw/zinc/38/39/39/804383939.db2.gz BWVJBKWFLLJSDZ-UHFFFAOYSA-N 1 1 270.307 3.035 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(O)cc1F ZINC001140129366 804383944 /nfs/dbraw/zinc/38/39/44/804383944.db2.gz BWVJBKWFLLJSDZ-UHFFFAOYSA-N 1 1 270.307 3.035 20 30 CGEDMO C[C@]1(F)CCCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC001140136006 804385160 /nfs/dbraw/zinc/38/51/60/804385160.db2.gz CQDHOVYPPLJXQJ-HNNXBMFYSA-N 1 1 264.319 3.411 20 30 CGEDMO C[C@]1(F)CCCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC001140136006 804385168 /nfs/dbraw/zinc/38/51/68/804385168.db2.gz CQDHOVYPPLJXQJ-HNNXBMFYSA-N 1 1 264.319 3.411 20 30 CGEDMO CCCCCCC[C@@H](CCC)[N@@H+](C)C[C@@H]1CNCCO1 ZINC001246551823 804402504 /nfs/dbraw/zinc/40/25/04/804402504.db2.gz RKWLIWAIVHJSQJ-SJORKVTESA-N 1 1 284.488 3.436 20 30 CGEDMO CCCCCCCCC[C@H](C)[N@H+]1CCN[C@@H](COC)C1 ZINC001246594700 804435873 /nfs/dbraw/zinc/43/58/73/804435873.db2.gz RBANAKXVDWIUBV-DLBZAZTESA-N 1 1 284.488 3.436 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)CC1 ZINC001140466989 804444366 /nfs/dbraw/zinc/44/43/66/804444366.db2.gz OYCYNIXRWARRDC-LLVKDONJSA-N 1 1 264.756 3.171 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1ccc2c(c1)ncn2C ZINC001140507466 804448886 /nfs/dbraw/zinc/44/88/86/804448886.db2.gz GZIQNZQRWRKGHR-UHFFFAOYSA-N 1 1 270.380 3.089 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1ccc2c(c1)ncn2C ZINC001140507466 804448891 /nfs/dbraw/zinc/44/88/91/804448891.db2.gz GZIQNZQRWRKGHR-UHFFFAOYSA-N 1 1 270.380 3.089 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](C3CCCCC3)C2)cn1 ZINC001140545373 804458294 /nfs/dbraw/zinc/45/82/94/804458294.db2.gz BLJFICGBMFGVRW-MRXNPFEDSA-N 1 1 269.392 3.355 20 30 CGEDMO CCCCCCC[C@H](CC)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC001246634115 804464687 /nfs/dbraw/zinc/46/46/87/804464687.db2.gz ACCCXDQGCYAYGW-HRCADAONSA-N 1 1 252.446 3.419 20 30 CGEDMO N#Cc1ccc(Cl)c(C[N@H+]2CC[C@]3(C2)CCCCO3)c1 ZINC001140600095 804471368 /nfs/dbraw/zinc/47/13/68/804471368.db2.gz BMJSAGSWMKZAJW-INIZCTEOSA-N 1 1 290.794 3.357 20 30 CGEDMO C[N@H+](Cc1cc(C#N)ccc1Cl)CC1CCOCC1 ZINC001140599849 804471685 /nfs/dbraw/zinc/47/16/85/804471685.db2.gz UEDAMFFIVVGYLK-UHFFFAOYSA-N 1 1 278.783 3.070 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@H](C#N)CC2)cc(C)c1O ZINC001140658942 804485894 /nfs/dbraw/zinc/48/58/94/804485894.db2.gz HCPXRSHDCLDHKT-AWEZNQCLSA-N 1 1 258.365 3.135 20 30 CGEDMO C[C@]1(CF)CC[N@H+](Cc2cc(F)c(C#N)c(F)c2)C1 ZINC001140751699 804505193 /nfs/dbraw/zinc/50/51/93/804505193.db2.gz BDZYPOHDUQZXHP-CQSZACIVSA-N 1 1 268.282 3.018 20 30 CGEDMO C[C@]1(CF)CC[N@@H+](Cc2cc(F)c(C#N)c(F)c2)C1 ZINC001140751699 804505197 /nfs/dbraw/zinc/50/51/97/804505197.db2.gz BDZYPOHDUQZXHP-CQSZACIVSA-N 1 1 268.282 3.018 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2cc(F)c(C#N)c(F)c2)[C@@H](C)C1 ZINC001140754090 804505905 /nfs/dbraw/zinc/50/59/05/804505905.db2.gz OSQFIWASKQDDQS-QWRGUYRKSA-N 1 1 264.319 3.457 20 30 CGEDMO CCCCN(CCC#N)[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256916962 807012387 /nfs/dbraw/zinc/01/23/87/807012387.db2.gz IOUVMCVLDPVRLY-KRWDZBQOSA-N 1 1 277.456 3.409 20 30 CGEDMO N#CCCN(Cc1c[nH]c2cc[nH+]cc12)Cc1ccccc1 ZINC001140800015 804518995 /nfs/dbraw/zinc/51/89/95/804518995.db2.gz SFMCFYUMWCPJNB-UHFFFAOYSA-N 1 1 290.370 3.479 20 30 CGEDMO CC1(C)C[N@@H+](Cc2cccc(C#N)c2Cl)[C@](C)(CO)C1 ZINC001140807518 804523404 /nfs/dbraw/zinc/52/34/04/804523404.db2.gz BHPZQYADBYSINI-INIZCTEOSA-N 1 1 292.810 3.195 20 30 CGEDMO COC[C@@H]1CCCC[N@H+]1Cc1cccc(C#N)c1Cl ZINC001140808749 804525522 /nfs/dbraw/zinc/52/55/22/804525522.db2.gz ZEADBELANJYOTO-AWEZNQCLSA-N 1 1 278.783 3.213 20 30 CGEDMO N#CC1CCC([N@@H+]2CCc3cc(F)c(F)cc3C2)CC1 ZINC001256970935 807020751 /nfs/dbraw/zinc/02/07/51/807020751.db2.gz IBSJPYFLKGOLDW-UHFFFAOYSA-N 1 1 276.330 3.405 20 30 CGEDMO N#CC1CCC([N@H+]2CCOC[C@H]2C2CCCCC2)CC1 ZINC001256972443 807021076 /nfs/dbraw/zinc/02/10/76/807021076.db2.gz YKQUERQKSSTENI-PREGVCBESA-N 1 1 276.424 3.350 20 30 CGEDMO N#Cc1ccc(C2CCC([N@@H+]3C[C@@H]4CC[C@]4(N)C3)CC2)cc1 ZINC001246862751 804567179 /nfs/dbraw/zinc/56/71/79/804567179.db2.gz RCKNZRUIQFBQKF-JEVOJNTISA-N 1 1 295.430 3.008 20 30 CGEDMO N#Cc1ccc(C2CCC([N@H+]3C[C@@H]4CC[C@]4(N)C3)CC2)cc1 ZINC001246862751 804567184 /nfs/dbraw/zinc/56/71/84/804567184.db2.gz RCKNZRUIQFBQKF-JEVOJNTISA-N 1 1 295.430 3.008 20 30 CGEDMO N#CC1CCC([N@H+]2CCc3c([nH]nc3C(F)(F)F)C2)CC1 ZINC001256971645 807021357 /nfs/dbraw/zinc/02/13/57/807021357.db2.gz KXMIWXDRSQHXQI-ZPPKWKGLSA-N 1 1 298.312 3.425 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CCNC[C@@H]1c1ccc(F)cc1 ZINC001246887473 804581393 /nfs/dbraw/zinc/58/13/93/804581393.db2.gz OXDGSYAKIBSOKV-CZUORRHYSA-N 1 1 262.372 3.127 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCNC[C@@H]1c1ccc(F)cc1 ZINC001246887473 804581398 /nfs/dbraw/zinc/58/13/98/804581398.db2.gz OXDGSYAKIBSOKV-CZUORRHYSA-N 1 1 262.372 3.127 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+](C1CCC1)[C@@H]1CCCNC1 ZINC001246989004 804630624 /nfs/dbraw/zinc/63/06/24/804630624.db2.gz QZJZCRQQCOQHMH-DNVCBOLYSA-N 1 1 297.446 3.096 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C1CCC1)[C@@H]1CCCNC1 ZINC001246989004 804630626 /nfs/dbraw/zinc/63/06/26/804630626.db2.gz QZJZCRQQCOQHMH-DNVCBOLYSA-N 1 1 297.446 3.096 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(OC)c(OC2CCCC2)c1 ZINC001141520853 804649819 /nfs/dbraw/zinc/64/98/19/804649819.db2.gz DLYHLAIRYDYUSA-UHFFFAOYSA-N 1 1 273.376 3.082 20 30 CGEDMO N#C[C@H]1CC[N@@H+](Cc2c[nH]c3cc(Cl)ccc23)C1 ZINC001141586196 804655968 /nfs/dbraw/zinc/65/59/68/804655968.db2.gz WMMDRMPDENCRDR-SNVBAGLBSA-N 1 1 259.740 3.167 20 30 CGEDMO N#C[C@H]1CC[N@H+](Cc2c[nH]c3cc(Cl)ccc23)C1 ZINC001141586196 804655971 /nfs/dbraw/zinc/65/59/71/804655971.db2.gz WMMDRMPDENCRDR-SNVBAGLBSA-N 1 1 259.740 3.167 20 30 CGEDMO C=CC[N@H+](Cc1ncc(Br)cn1)C(C)(C)C ZINC001141680023 804664345 /nfs/dbraw/zinc/66/43/45/804664345.db2.gz LHVQOXBAYBRQLC-UHFFFAOYSA-N 1 1 284.201 3.026 20 30 CGEDMO C=CC[N@@H+](Cc1ncc(Br)cn1)C(C)(C)C ZINC001141680023 804664347 /nfs/dbraw/zinc/66/43/47/804664347.db2.gz LHVQOXBAYBRQLC-UHFFFAOYSA-N 1 1 284.201 3.026 20 30 CGEDMO C=CC1(CC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CCCCC1 ZINC001141750727 804667737 /nfs/dbraw/zinc/66/77/37/804667737.db2.gz SLCDSWZVQLLMNN-JKSUJKDBSA-N 1 1 290.451 3.256 20 30 CGEDMO CSc1nc(C[N@@H+](C)C2CCCCC2)ccc1C#N ZINC001141928931 804680067 /nfs/dbraw/zinc/68/00/67/804680067.db2.gz DFVSXLRDZYCUTB-UHFFFAOYSA-N 1 1 275.421 3.440 20 30 CGEDMO C#CC[C@@H]([NH3+])c1nc(-c2cc(C)cc(C(F)(F)F)c2)no1 ZINC001247610369 804779599 /nfs/dbraw/zinc/77/95/99/804779599.db2.gz ZBXLXYOLMQPBRJ-LLVKDONJSA-N 1 1 295.264 3.087 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2ccc3ccncc3c2)no1 ZINC001247621973 804781435 /nfs/dbraw/zinc/78/14/35/804781435.db2.gz CHGWFJOQLNCYMT-AWEZNQCLSA-N 1 1 280.331 3.251 20 30 CGEDMO C[N@H+]1CCC[C@@H](CCNc2ccc3c(C#N)c[nH]c3c2)C1 ZINC001165289577 806987535 /nfs/dbraw/zinc/98/75/35/806987535.db2.gz GCOISELNUGSMHI-ZDUSSCGKSA-N 1 1 282.391 3.183 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2cc(F)c(F)cc2F)no1 ZINC001247623232 804784684 /nfs/dbraw/zinc/78/46/84/804784684.db2.gz YWPCAEMDNIWMAX-NSHDSACASA-N 1 1 283.253 3.120 20 30 CGEDMO Cc1ccc(C[N@@H+](C)Cc2c[nH]c3cc(C#N)ccc23)cn1 ZINC001142926353 804784732 /nfs/dbraw/zinc/78/47/32/804784732.db2.gz PDHAXLGWAONYKN-UHFFFAOYSA-N 1 1 290.370 3.375 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H]3CCC[C@@H]3C2)c1F ZINC001143167226 804814630 /nfs/dbraw/zinc/81/46/30/804814630.db2.gz RMNSJVKSSAXGJZ-WCQYABFASA-N 1 1 276.330 3.458 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)c1F ZINC001143167226 804814639 /nfs/dbraw/zinc/81/46/39/804814639.db2.gz RMNSJVKSSAXGJZ-WCQYABFASA-N 1 1 276.330 3.458 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC23CCCC3)c1F ZINC001143165083 804814738 /nfs/dbraw/zinc/81/47/38/804814738.db2.gz UNWYMZIDOUGZEK-UHFFFAOYSA-N 1 1 262.303 3.355 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCC23CCCC3)c1F ZINC001143165083 804814744 /nfs/dbraw/zinc/81/47/44/804814744.db2.gz UNWYMZIDOUGZEK-UHFFFAOYSA-N 1 1 262.303 3.355 20 30 CGEDMO CCOCC1CC[NH+](Cc2c(Cl)cccc2C#N)CC1 ZINC001143730883 804889683 /nfs/dbraw/zinc/88/96/83/804889683.db2.gz DKOMVLSNVAAEFY-UHFFFAOYSA-N 1 1 292.810 3.460 20 30 CGEDMO C=CC1(CC(=O)NCC[N@H+](C)[C@@H](C)CC)CCCCC1 ZINC001143742435 804891361 /nfs/dbraw/zinc/89/13/61/804891361.db2.gz YZDMULAAYATDTR-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO N#Cc1ccc(C2CCC([N@H+]3C[C@@H]4C[C@H]3CO4)CC2)cc1 ZINC001257020806 807030094 /nfs/dbraw/zinc/03/00/94/807030094.db2.gz JKTHBFAYCZVLQR-FOIPXRHGSA-N 1 1 282.387 3.058 20 30 CGEDMO COc1cccc([C@H]2CCC[N@@H+]2Cc2cncc(C#N)c2)c1 ZINC001144083518 804935941 /nfs/dbraw/zinc/93/59/41/804935941.db2.gz IJDJABOKNWPNJO-GOSISDBHSA-N 1 1 293.370 3.299 20 30 CGEDMO COc1cccc([C@H]2CCC[N@H+]2Cc2cncc(C#N)c2)c1 ZINC001144083518 804935946 /nfs/dbraw/zinc/93/59/46/804935946.db2.gz IJDJABOKNWPNJO-GOSISDBHSA-N 1 1 293.370 3.299 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CC[C@@](C)(CF)C1 ZINC001248748431 804982023 /nfs/dbraw/zinc/98/20/23/804982023.db2.gz JGWTYTVONCGNBH-INIZCTEOSA-N 1 1 260.356 3.302 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@@H+]1CC[C@@](C)(F)[C@@H](F)C1 ZINC001248748264 804982519 /nfs/dbraw/zinc/98/25/19/804982519.db2.gz CYDKQPHIUQQZST-JKSUJKDBSA-N 1 1 278.346 3.393 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CC[C@@](C)(F)[C@@H](F)C1 ZINC001248748264 804982523 /nfs/dbraw/zinc/98/25/23/804982523.db2.gz CYDKQPHIUQQZST-JKSUJKDBSA-N 1 1 278.346 3.393 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001248751605 804984477 /nfs/dbraw/zinc/98/44/77/804984477.db2.gz CLGLQZFHXTVVNQ-AWEZNQCLSA-N 1 1 267.376 3.246 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cc(Br)cnc1C ZINC001248780867 804991218 /nfs/dbraw/zinc/99/12/18/804991218.db2.gz LXKXZGYQTOFCJR-UHFFFAOYSA-N 1 1 281.197 3.327 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCC[C@H]2Cc2ccccn2)cc1 ZINC001144573447 805009393 /nfs/dbraw/zinc/00/93/93/805009393.db2.gz KLKHAVNMSLPRKW-IBGZPJMESA-N 1 1 276.383 3.270 20 30 CGEDMO Cc1nc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)ccc1Cl ZINC001248878348 805030432 /nfs/dbraw/zinc/03/04/32/805030432.db2.gz UQELDCURCPZAOP-DEZZGGKRSA-N 1 1 275.783 3.310 20 30 CGEDMO Cc1nc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)ccc1Cl ZINC001248878348 805030443 /nfs/dbraw/zinc/03/04/43/805030443.db2.gz UQELDCURCPZAOP-DEZZGGKRSA-N 1 1 275.783 3.310 20 30 CGEDMO CCCCCCCC(=O)N(CC)[C@@H]1CC[N@@H+](CC)C1 ZINC001146909928 805096520 /nfs/dbraw/zinc/09/65/20/805096520.db2.gz GUWDJEFIJFAPFE-OAHLLOKOSA-N 1 1 268.445 3.290 20 30 CGEDMO C=CCCC[N@@H+]1CCC2(CN(C(=O)C[C@@H](C)C(C)C)C2)C1 ZINC001147244075 805117299 /nfs/dbraw/zinc/11/72/99/805117299.db2.gz AKJPDQHANAEMTM-MRXNPFEDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC2(CN(C(=O)[C@H](C)CCCC)C2)C1 ZINC001147466954 805131348 /nfs/dbraw/zinc/13/13/48/805131348.db2.gz ABONWGWCGYZYQC-CYBMUJFWSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC2(CN(C(=O)[C@H](C)CCCC)C2)C1 ZINC001147466954 805131350 /nfs/dbraw/zinc/13/13/50/805131350.db2.gz ABONWGWCGYZYQC-CYBMUJFWSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(C)CCC(=O)N1CC2(C1)CC[N@@H+](CC1CCCC1)C2 ZINC001147639832 805142239 /nfs/dbraw/zinc/14/22/39/805142239.db2.gz CJVZGHLOPRQLGL-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO N#Cc1ccc2cc(C[N@H+]3CCC4(CC4)C3)[nH]c2c1 ZINC001249427329 805147323 /nfs/dbraw/zinc/14/73/23/805147323.db2.gz ZIQJPEVJPXVXRQ-UHFFFAOYSA-N 1 1 251.333 3.025 20 30 CGEDMO COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249430284 805148600 /nfs/dbraw/zinc/14/86/00/805148600.db2.gz LFSJYAZJDYEPJQ-SJPCQFCGSA-N 1 1 295.386 3.181 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)C3(C)CCC3)C2)C1 ZINC001148045123 805159934 /nfs/dbraw/zinc/15/99/34/805159934.db2.gz HOPMISKJFXAEDJ-HNNXBMFYSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@@H](C)C(C)C)C2)C1 ZINC001148371804 805176896 /nfs/dbraw/zinc/17/68/96/805176896.db2.gz PHHVEUHAAUOZGG-CVEARBPZSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@@H+]1CCC2(CN(C(=O)[C@@H](F)CCCCCC)C2)C1 ZINC001148611921 805199476 /nfs/dbraw/zinc/19/94/76/805199476.db2.gz RWZUXRINVSQMPI-HNNXBMFYSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CC[N@H+]1CCC2(CN(C(=O)CCCC3CCCC3)C2)C1 ZINC001148861490 805213030 /nfs/dbraw/zinc/21/30/30/805213030.db2.gz DKZHIJDIYWGWJR-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)c1cccc(C)c1 ZINC001151685808 805306271 /nfs/dbraw/zinc/30/62/71/805306271.db2.gz XCKVWUQDFFUCBY-MRXNPFEDSA-N 1 1 288.435 3.401 20 30 CGEDMO C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)c1ccc[nH]1 ZINC001151859175 805317194 /nfs/dbraw/zinc/31/71/94/805317194.db2.gz QUPQAYKIIQZJKP-OAHLLOKOSA-N 1 1 291.439 3.201 20 30 CGEDMO C=CCCC(=O)NC[C@@H](C)[N@@H+](CC)CCC(C)(C)C ZINC001152313477 805343425 /nfs/dbraw/zinc/34/34/25/805343425.db2.gz NRGOCSHOBPDUOM-CQSZACIVSA-N 1 1 268.445 3.215 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)C[C@H](C)C(C)C ZINC001152340246 805346037 /nfs/dbraw/zinc/34/60/37/805346037.db2.gz PVQAAEHCILGVIW-JKSUJKDBSA-N 1 1 282.472 3.461 20 30 CGEDMO CC[N@@H+](C[C@H](C)CC(C)C)[C@H](C)CNC(=O)C#CC(C)C ZINC001153207916 805386710 /nfs/dbraw/zinc/38/67/10/805386710.db2.gz WGWHWTOOYFZZRT-IAGOWNOFSA-N 1 1 294.483 3.155 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)C(=C)Cl ZINC001153587986 805405610 /nfs/dbraw/zinc/40/56/10/805405610.db2.gz HLOWTLHMFYDUJY-GFCCVEGCSA-N 1 1 286.847 3.168 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H](C)[N@H+](CC)CCCC ZINC001153609005 805407371 /nfs/dbraw/zinc/40/73/71/805407371.db2.gz SYDJBZVFEQDKGU-CQSZACIVSA-N 1 1 268.445 3.215 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H]1C=CCCC1 ZINC001153995330 805424034 /nfs/dbraw/zinc/42/40/34/805424034.db2.gz XTWBLMNORJYGGQ-HUUCEWRRSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C[C@@H]1C=CCCC1 ZINC001153995330 805424042 /nfs/dbraw/zinc/42/40/42/805424042.db2.gz XTWBLMNORJYGGQ-HUUCEWRRSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)C[C@@H]1C=CCCC1 ZINC001153990440 805424952 /nfs/dbraw/zinc/42/49/52/805424952.db2.gz GDNNXIWLCHQYSK-HZPDHXFCSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)C1CCC2(CC2)CC1 ZINC001154351290 805451472 /nfs/dbraw/zinc/45/14/72/805451472.db2.gz BHECBAQIARFPFJ-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCCCCC[N@@H+](CC)[C@H](C)CNC(=O)c1cnco1 ZINC001154533159 805461882 /nfs/dbraw/zinc/46/18/82/805461882.db2.gz OMTXAEZNLPFUIS-CQSZACIVSA-N 1 1 295.427 3.085 20 30 CGEDMO N#Cc1c[nH]c2cc[nH+]c(NCc3nc4ccccc4o3)c12 ZINC001154654547 805472791 /nfs/dbraw/zinc/47/27/91/805472791.db2.gz FVSXFLHAEFUGOM-UHFFFAOYSA-N 1 1 289.298 3.188 20 30 CGEDMO C=C/C(C)=C/CC(=O)NC[C@@H](C)[N@@H+](CC)CCC(=C)C ZINC001154677369 805476909 /nfs/dbraw/zinc/47/69/09/805476909.db2.gz POMIUWWQPYVUIT-HTRKUNOGSA-N 1 1 278.440 3.302 20 30 CGEDMO CCCCCCCCC(=O)NCc1c[nH+]c2n1CCC2 ZINC001154930820 805509909 /nfs/dbraw/zinc/50/99/09/805509909.db2.gz DUCSUBAMTLSZCF-UHFFFAOYSA-N 1 1 277.412 3.196 20 30 CGEDMO C#CCCCNc1ccc2c(cc(OC)cc2OC)[nH+]1 ZINC001155020611 805524080 /nfs/dbraw/zinc/52/40/80/805524080.db2.gz MOVFJWJJUDVIMR-UHFFFAOYSA-N 1 1 270.332 3.077 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@@H](C)[N@H+](CC)CCCC ZINC001155072723 805535059 /nfs/dbraw/zinc/53/50/59/805535059.db2.gz JVIKWNZKNVTAFM-GDBMZVCRSA-N 1 1 268.445 3.215 20 30 CGEDMO N#Cc1c[nH]c2cc[nH+]c(NC[C@H]3CCC(F)(F)C3)c12 ZINC001155173983 805549116 /nfs/dbraw/zinc/54/91/16/805549116.db2.gz PKYLMNSXLHDHAV-VIFPVBQESA-N 1 1 276.290 3.282 20 30 CGEDMO Cc1[nH+]c(N2CCC(c3ccccn3)CC2)ccc1CC#N ZINC001166673398 807078437 /nfs/dbraw/zinc/07/84/37/807078437.db2.gz RRHXAVWKLCZDEL-UHFFFAOYSA-N 1 1 292.386 3.235 20 30 CGEDMO C#CC[N@@H+](CC1(CC#N)CC1)[C@H]1CCc2ccccc21 ZINC001167178535 807163756 /nfs/dbraw/zinc/16/37/56/807163756.db2.gz DBWBEWKASQUERC-KRWDZBQOSA-N 1 1 264.372 3.303 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001167412710 807191792 /nfs/dbraw/zinc/19/17/92/807191792.db2.gz QEBTXJTXXPZZRZ-OKILXGFUSA-N 1 1 282.428 3.282 20 30 CGEDMO C#CC[N@H+](CC)C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC001167578057 807208436 /nfs/dbraw/zinc/20/84/36/807208436.db2.gz WXXZOHNXFIXXDF-SJORKVTESA-N 1 1 257.377 3.252 20 30 CGEDMO C[C@@H]1c2ccccc2CC[N@@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC001167628297 807219325 /nfs/dbraw/zinc/21/93/25/807219325.db2.gz BPGCOJPJWOBTSO-KUHUBIRLSA-N 1 1 292.382 3.211 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCCN(CC)CC3)C[C@H](C1)C2 ZINC001257890553 807241058 /nfs/dbraw/zinc/24/10/58/807241058.db2.gz ZFKOYKLEVCPNNL-SJPCQFCGSA-N 1 1 262.441 3.149 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCC[C@H](CCO)C3)C[C@H](C1)C2 ZINC001257895579 807245306 /nfs/dbraw/zinc/24/53/06/807245306.db2.gz UONSOXUJIQKIEQ-VPSFDDGASA-N 1 1 263.425 3.216 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCC[C@H](CC(=O)OC)C3)C[C@H](C1)C2 ZINC001257894918 807245342 /nfs/dbraw/zinc/24/53/42/807245342.db2.gz CHRRIVXUBJSHFR-VPSFDDGASA-N 1 1 291.435 3.396 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CCC(O)=C(C(=O)OCC)C1 ZINC001258044773 807273324 /nfs/dbraw/zinc/27/33/24/807273324.db2.gz UWGFUDZOWKGIJD-LSDHHAIUSA-N 1 1 297.439 3.190 20 30 CGEDMO CCCCCCC[C@H](C)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001258050207 807275972 /nfs/dbraw/zinc/27/59/72/807275972.db2.gz ROKAXLNYZMVYRK-HRCADAONSA-N 1 1 252.446 3.229 20 30 CGEDMO CCCCCCC[C@H](C)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001258050207 807275975 /nfs/dbraw/zinc/27/59/75/807275975.db2.gz ROKAXLNYZMVYRK-HRCADAONSA-N 1 1 252.446 3.229 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC001258050207 807275978 /nfs/dbraw/zinc/27/59/78/807275978.db2.gz ROKAXLNYZMVYRK-HRCADAONSA-N 1 1 252.446 3.229 20 30 CGEDMO CCCCCCC[C@H](C)[N@@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC001258050207 807275981 /nfs/dbraw/zinc/27/59/81/807275981.db2.gz ROKAXLNYZMVYRK-HRCADAONSA-N 1 1 252.446 3.229 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC001258050736 807277516 /nfs/dbraw/zinc/27/75/16/807277516.db2.gz XFGFOAUDWFUSGH-LSDHHAIUSA-N 1 1 289.485 3.244 20 30 CGEDMO N#C[C@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167994436 807293213 /nfs/dbraw/zinc/29/32/13/807293213.db2.gz DAUKKYDYVKHXAU-QTXGHNMQSA-N 1 1 287.451 3.017 20 30 CGEDMO N#C[C@H]1CCCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)CC1 ZINC001167994436 807293220 /nfs/dbraw/zinc/29/32/20/807293220.db2.gz DAUKKYDYVKHXAU-QTXGHNMQSA-N 1 1 287.451 3.017 20 30 CGEDMO C[C@@H]1C[C@@H](NC(C)(C)C#N)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168008134 807298625 /nfs/dbraw/zinc/29/86/25/807298625.db2.gz CUYXRRUODQTGCZ-SCAQPMJSSA-N 1 1 285.435 3.320 20 30 CGEDMO CC(C)=CCC[C@H](C)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001258088265 807300099 /nfs/dbraw/zinc/30/00/99/807300099.db2.gz KRVGZRQGXGVOFM-GXTWGEPZSA-N 1 1 265.422 3.395 20 30 CGEDMO CC[N@@H+](CCC#N)[C@H](C)CCc1ccc(OC)cc1 ZINC001258401771 807441803 /nfs/dbraw/zinc/44/18/03/807441803.db2.gz BKYSWKDNEFZJFH-CQSZACIVSA-N 1 1 260.381 3.252 20 30 CGEDMO C#C[C@H]1CCC[N@H+](C2CCN(c3cccc(F)c3)CC2)C1 ZINC001258424653 807445607 /nfs/dbraw/zinc/44/56/07/807445607.db2.gz LHLBLTBPUIKMOM-HNNXBMFYSA-N 1 1 286.394 3.140 20 30 CGEDMO C#C[C@@H]1CCC[N@H+]([C@H]2CCO[C@@H](c3ccc(OC)cc3)C2)C1 ZINC001168665316 807470975 /nfs/dbraw/zinc/47/09/75/807470975.db2.gz PASLCNYMPVYEAT-HHXXYDBFSA-N 1 1 299.414 3.261 20 30 CGEDMO CC1(C)CC[C@@H]([N@H+]2CCc3ccc(C#N)cc3C2)C1 ZINC001258599705 807498279 /nfs/dbraw/zinc/49/82/79/807498279.db2.gz BMBJBUIFLFSXFH-MRXNPFEDSA-N 1 1 254.377 3.495 20 30 CGEDMO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]Cc1cc(C#N)ccn1 ZINC001168969195 807544269 /nfs/dbraw/zinc/54/42/69/807544269.db2.gz UQSNIQNRNVVXED-LBPRGKRZSA-N 1 1 297.406 3.064 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001258724629 807572406 /nfs/dbraw/zinc/57/24/06/807572406.db2.gz BIDVMXWGIRYCKW-CQSZACIVSA-N 1 1 294.439 3.284 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]2[C@H]1CC(=O)N2c1ccsc1 ZINC001258727670 807574610 /nfs/dbraw/zinc/57/46/10/807574610.db2.gz HKIMHGZCNHGJPM-VHDGCEQUSA-N 1 1 290.432 3.282 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1Cc2cn(CC)nc2[C@H](COCC)C1 ZINC001258728363 807574739 /nfs/dbraw/zinc/57/47/39/807574739.db2.gz NYRWBFISAQSLIV-HOCLYGCPSA-N 1 1 291.439 3.193 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@]2(CCCCN2C(C)=O)C1 ZINC001258731475 807577731 /nfs/dbraw/zinc/57/77/31/807577731.db2.gz YFXZOSOULZDKEZ-WBVHZDCISA-N 1 1 278.440 3.208 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)Cc1cc(OC)c(OC)c(OC)c1 ZINC001258735014 807580982 /nfs/dbraw/zinc/58/09/82/807580982.db2.gz MNICSLGPZCGGQO-ZDUSSCGKSA-N 1 1 293.407 3.499 20 30 CGEDMO C=CCC[C@H](C)[NH+]1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC001258734526 807581096 /nfs/dbraw/zinc/58/10/96/807581096.db2.gz FBSWYKMYUFAAOE-QXAKKESOSA-N 1 1 284.447 3.405 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CC(=O)OCc1ccccc1 ZINC001258735998 807582211 /nfs/dbraw/zinc/58/22/11/807582211.db2.gz HXOMLAWNPUINRM-AWEZNQCLSA-N 1 1 261.365 3.016 20 30 CGEDMO C=CC[N@@H+](C1CCCCC1)C1CCN(CC)CC1 ZINC001169264991 807618171 /nfs/dbraw/zinc/61/81/71/807618171.db2.gz VEWNMSOWFGJCRB-UHFFFAOYSA-N 1 1 250.430 3.291 20 30 CGEDMO C[C@@H]1CCC[C@H]([N@H+]2CCc3ccc(C#N)cc3C2)C1 ZINC001258820468 807637507 /nfs/dbraw/zinc/63/75/07/807637507.db2.gz YTFPGZCOZIXKAJ-DYVFJYSZSA-N 1 1 254.377 3.495 20 30 CGEDMO C[NH+](C)[C@@H]1CCCC[C@H]1N[C@H]1CCc2ccc(C#N)cc21 ZINC001261201872 807714528 /nfs/dbraw/zinc/71/45/28/807714528.db2.gz QHSCTYXYOHQQAG-RCCFBDPRSA-N 1 1 283.419 3.008 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)Cc1cccc2ncccc12 ZINC001169845044 807714984 /nfs/dbraw/zinc/71/49/84/807714984.db2.gz QYVWHSDSBJQPGG-UHFFFAOYSA-N 1 1 283.419 3.175 20 30 CGEDMO CC1(C)CC([N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC(C)(C)N1O ZINC001170005527 807737957 /nfs/dbraw/zinc/73/79/57/807737957.db2.gz RGPJRYLRCHVSIG-ZSOGYDGISA-N 1 1 291.439 3.164 20 30 CGEDMO Cn1ccc2cc[nH+]c(NCc3ccc(C#N)c(F)c3)c21 ZINC001170090923 807754411 /nfs/dbraw/zinc/75/44/11/807754411.db2.gz RIFLSRMUALQZAM-UHFFFAOYSA-N 1 1 280.306 3.196 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2ccc(CCC)s2)C1 ZINC001261764374 807784831 /nfs/dbraw/zinc/78/48/31/807784831.db2.gz BNONBLHKIPCRNQ-ZDUSSCGKSA-N 1 1 265.422 3.478 20 30 CGEDMO C=CCCCNc1c[nH+]c2c(Br)cccn12 ZINC001170301507 807821049 /nfs/dbraw/zinc/82/10/49/807821049.db2.gz YFKJXOAXMSJUAT-UHFFFAOYSA-N 1 1 280.169 3.475 20 30 CGEDMO FC(F)Oc1cc[nH+]c(NCC#Cc2ccccc2)c1 ZINC001170429392 807840565 /nfs/dbraw/zinc/84/05/65/807840565.db2.gz PBHVCHNPJSBBKQ-UHFFFAOYSA-N 1 1 274.270 3.147 20 30 CGEDMO CC[N@H+](CCC#N)[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170699436 807878578 /nfs/dbraw/zinc/87/85/78/807878578.db2.gz HQCCJNJSSUIOQC-ZDUSSCGKSA-N 1 1 264.319 3.058 20 30 CGEDMO CC[N@@H+](CCC#N)[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170699436 807878586 /nfs/dbraw/zinc/87/85/86/807878586.db2.gz HQCCJNJSSUIOQC-ZDUSSCGKSA-N 1 1 264.319 3.058 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170758712 807899590 /nfs/dbraw/zinc/89/95/90/807899590.db2.gz VLTXVOLPLAAIGO-PHZGNYQRSA-N 1 1 254.377 3.425 20 30 CGEDMO CO[C@@H]1CCC[C@@H]2C[N@H+]([C@H](C)Cc3cccc(C#N)c3)C[C@@H]21 ZINC001171218635 808010288 /nfs/dbraw/zinc/01/02/88/808010288.db2.gz VVBCJTRYDAUSNM-DQEVTTJGSA-N 1 1 298.430 3.236 20 30 CGEDMO Cc1noc([C@@H]2CCC[N@@H+]2[C@H](C)Cc2cccc(C#N)c2)n1 ZINC001171222315 808012890 /nfs/dbraw/zinc/01/28/90/808012890.db2.gz FLMMVBKOYNDSKF-WBMJQRKESA-N 1 1 296.374 3.018 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCC[C@@H]1CN1CCCC1 ZINC001171225248 808014571 /nfs/dbraw/zinc/01/45/71/808014571.db2.gz ZIGZROUQJOGIID-QFBILLFUSA-N 1 1 297.446 3.049 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCC[C@@H]1CN1CCCC1 ZINC001171225248 808014579 /nfs/dbraw/zinc/01/45/79/808014579.db2.gz ZIGZROUQJOGIID-QFBILLFUSA-N 1 1 297.446 3.049 20 30 CGEDMO COc1ccc(Cl)c2c1C[C@H]([N@H+](C)CCC#N)CC2 ZINC001171316172 808025741 /nfs/dbraw/zinc/02/57/41/808025741.db2.gz KULOGESLPDOOAY-LLVKDONJSA-N 1 1 278.783 3.051 20 30 CGEDMO COc1ccc(Cl)c2c1C[C@H]([N@@H+](C)CCC#N)CC2 ZINC001171316172 808025747 /nfs/dbraw/zinc/02/57/47/808025747.db2.gz KULOGESLPDOOAY-LLVKDONJSA-N 1 1 278.783 3.051 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](CC2CC(C)C2)[C@@H]1CC ZINC001264054398 808031116 /nfs/dbraw/zinc/03/11/16/808031116.db2.gz LSPMNIXGEPZXIE-SJJHQCBESA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CSCCC)[C@H]1CC ZINC001264600739 808080897 /nfs/dbraw/zinc/08/08/97/808080897.db2.gz BBMOOLHFDXXUQO-LSDHHAIUSA-N 1 1 298.496 3.065 20 30 CGEDMO C#CCCCCCC(=O)N1CCCC[C@H]1C[N@@H+](C)CC=C ZINC001264742753 808089754 /nfs/dbraw/zinc/08/97/54/808089754.db2.gz FPOPAJHWQVTLBW-KRWDZBQOSA-N 1 1 290.451 3.069 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)CCC)CC(C)(C)C1 ZINC001264749550 808092138 /nfs/dbraw/zinc/09/21/38/808092138.db2.gz FYZFYGDLQNLUPM-CVEARBPZSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[C@H](C)C1CC1 ZINC001264745759 808092231 /nfs/dbraw/zinc/09/22/31/808092231.db2.gz SKIBYZHMRDLBPH-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[N@@H+](CCCNC(=O)C1(CC)CCC1)C1CC1 ZINC001265171885 808114923 /nfs/dbraw/zinc/11/49/23/808114923.db2.gz ZIPUSCZVGRULQB-UHFFFAOYSA-N 1 1 298.858 3.290 20 30 CGEDMO C=C(Cl)C[N@H+](CCCNC(=O)C1(CC)CCC1)C1CC1 ZINC001265171885 808114928 /nfs/dbraw/zinc/11/49/28/808114928.db2.gz ZIPUSCZVGRULQB-UHFFFAOYSA-N 1 1 298.858 3.290 20 30 CGEDMO C=C1CCC(C(=O)NCCC[N@@H+](CC2CC2)C2CC2)CC1 ZINC001265174562 808115316 /nfs/dbraw/zinc/11/53/16/808115316.db2.gz BOFORPTZPNAURI-UHFFFAOYSA-N 1 1 290.451 3.114 20 30 CGEDMO C#CC[N@H+](CCCNC(=O)c1ccccc1C(C)C)C1CC1 ZINC001265164648 808115966 /nfs/dbraw/zinc/11/59/66/808115966.db2.gz PLJZHXKBCOIILJ-UHFFFAOYSA-N 1 1 298.430 3.028 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CCC)CC(C)C)C1 ZINC001265235087 808121901 /nfs/dbraw/zinc/12/19/01/808121901.db2.gz IFCDBQWDLSMKEF-DLBZAZTESA-N 1 1 292.467 3.053 20 30 CGEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H](CC)CCCCC)C1 ZINC001265233259 808122215 /nfs/dbraw/zinc/12/22/15/808122215.db2.gz PSPQPDRODJWTQS-SJORKVTESA-N 1 1 292.467 3.197 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](CC)CCCCC)C1 ZINC001265233259 808122221 /nfs/dbraw/zinc/12/22/21/808122221.db2.gz PSPQPDRODJWTQS-SJORKVTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)CC2CCCCC2)C1 ZINC001265306339 808129160 /nfs/dbraw/zinc/12/91/60/808129160.db2.gz NWKABMCGGGYBFK-RDJZCZTQSA-N 1 1 292.467 3.360 20 30 CGEDMO N#Cc1cccc([C@@H](O)C[N@H+]2CCCC[C@H]2C2CCC2)c1 ZINC001171751147 808131258 /nfs/dbraw/zinc/13/12/58/808131258.db2.gz IECIFWZAYBZPIS-ROUUACIJSA-N 1 1 284.403 3.246 20 30 CGEDMO C[C@H]1C[C@H](N2CCC(CC#N)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171760821 808131860 /nfs/dbraw/zinc/13/18/60/808131860.db2.gz ALYLAOXRYKJQKR-LPHOPBHVSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@H]1C[C@H](N2CCC(CC#N)CC2)C[N@H+]1Cc1ccccc1 ZINC001171760821 808131868 /nfs/dbraw/zinc/13/18/68/808131868.db2.gz ALYLAOXRYKJQKR-LPHOPBHVSA-N 1 1 297.446 3.275 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCCC(C)C ZINC001265413031 808140873 /nfs/dbraw/zinc/14/08/73/808140873.db2.gz MJWKXFOXEPCUJD-CALCHBBNSA-N 1 1 292.467 3.454 20 30 CGEDMO C#CC[N@@H+](CCc1ccc2ccccc2c1)C1CSC1 ZINC001171867680 808150223 /nfs/dbraw/zinc/15/02/23/808150223.db2.gz KWPRHUNJEOYLCY-UHFFFAOYSA-N 1 1 281.424 3.433 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)/C=C(\C)CC)C1 ZINC001265523619 808151352 /nfs/dbraw/zinc/15/13/52/808151352.db2.gz NIPHSSUDRSGZLB-OSGGRZCESA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C=C(CC)CC)C1 ZINC001265700208 808170037 /nfs/dbraw/zinc/17/00/37/808170037.db2.gz OFPOBWDHHXJHMN-ZBFHGGJFSA-N 1 1 278.440 3.136 20 30 CGEDMO C#C[C@@H](C)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC001172077289 808170709 /nfs/dbraw/zinc/17/07/09/808170709.db2.gz QSXNXBWNSYATCN-OWYHZJEWSA-N 1 1 282.431 3.183 20 30 CGEDMO C#C[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172077289 808170717 /nfs/dbraw/zinc/17/07/17/808170717.db2.gz QSXNXBWNSYATCN-OWYHZJEWSA-N 1 1 282.431 3.183 20 30 CGEDMO C=CCCC[N@@H+](C)CCCNC(=O)[C@]1(C)CC=CCC1 ZINC001265854234 808188425 /nfs/dbraw/zinc/18/84/25/808188425.db2.gz PVCDDZDXIISMAH-QGZVFWFLSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CC[N@@H+](C)CCCNC(=O)c1cc(C)c(C)cc1Cl ZINC001265902787 808192221 /nfs/dbraw/zinc/19/22/21/808192221.db2.gz WAJLJTYCPCCNIK-UHFFFAOYSA-N 1 1 294.826 3.195 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCCN(C(=O)CC2CC2)C1 ZINC001266087736 808209398 /nfs/dbraw/zinc/20/93/98/808209398.db2.gz AORDRWGHVOVXQF-GDBMZVCRSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC1(C(=O)N2CCC[C@H]([N@H+](C)C(C)C)C2)CCC1 ZINC001266111295 808212708 /nfs/dbraw/zinc/21/27/08/808212708.db2.gz ZFZQNVIKIWAUSE-HNNXBMFYSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)c1c(C)cccc1F ZINC001266115022 808214797 /nfs/dbraw/zinc/21/47/97/808214797.db2.gz QEMYGFPQMQHQRB-UHFFFAOYSA-N 1 1 292.398 3.152 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)[C@H]1CC[C@H](CC)CC1)C1CC1 ZINC001266168861 808221696 /nfs/dbraw/zinc/22/16/96/808221696.db2.gz IEUDZHNWLFEMRH-WKILWMFISA-N 1 1 292.467 3.360 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C)Cc1cccnc1 ZINC001172309149 808222794 /nfs/dbraw/zinc/22/27/94/808222794.db2.gz ROWYVPQRPRDJNT-AWEZNQCLSA-N 1 1 265.360 3.016 20 30 CGEDMO Cc1ncccc1C[N@H+](C)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172313414 808223942 /nfs/dbraw/zinc/22/39/42/808223942.db2.gz WOHFHONAZACPLF-AWEZNQCLSA-N 1 1 279.387 3.325 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H](NC(=O)CC2CC2)C1 ZINC001266197702 808225399 /nfs/dbraw/zinc/22/53/99/808225399.db2.gz NONSFOMPCUCAKJ-MRXNPFEDSA-N 1 1 280.456 3.338 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001172316908 808226720 /nfs/dbraw/zinc/22/67/20/808226720.db2.gz YLEOSTUOGVAYNM-GLQYFDAESA-N 1 1 276.330 3.076 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CCC[C@H](F)CC1 ZINC001172316738 808226950 /nfs/dbraw/zinc/22/69/50/808226950.db2.gz WQUOISRDTVWEST-CJNGLKHVSA-N 1 1 260.356 3.313 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCNC(=O)[C@H]1CCCC[C@@H]1C1CC1 ZINC001266301037 808237871 /nfs/dbraw/zinc/23/78/71/808237871.db2.gz ARDXMRKLCAOUHC-SJORKVTESA-N 1 1 292.467 3.217 20 30 CGEDMO C=C[C@H](CC)CC(=O)NCC[N@@H+](C)Cc1ccc(C)cc1 ZINC001266312061 808239168 /nfs/dbraw/zinc/23/91/68/808239168.db2.gz QIVYTOXLTVMYAB-MRXNPFEDSA-N 1 1 288.435 3.145 20 30 CGEDMO CC#CCCCC(=O)NCC[N@@H+](C)CC1CCC(C)CC1 ZINC001266312003 808240104 /nfs/dbraw/zinc/24/01/04/808240104.db2.gz OWNRSXHLNGOHBJ-UHFFFAOYSA-N 1 1 292.467 3.054 20 30 CGEDMO CC[C@H](C)OCC[C@H](C)[N@H+]1CCC[C@H](CC#N)C1 ZINC001172342779 808241823 /nfs/dbraw/zinc/24/18/23/808241823.db2.gz NOQNJQCLMXJJSE-SOUVJXGZSA-N 1 1 252.402 3.206 20 30 CGEDMO C=CCC[N@H+](C)CCNC(=O)[C@H](C)c1ccc(Cl)cc1 ZINC001266321041 808242103 /nfs/dbraw/zinc/24/21/03/808242103.db2.gz PXSQDNVHAVHPHM-CYBMUJFWSA-N 1 1 294.826 3.068 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)CCCCCC)C1 ZINC001266333360 808242979 /nfs/dbraw/zinc/24/29/79/808242979.db2.gz LRVXLNQMBAIXED-IRXDYDNUSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001266333522 808243152 /nfs/dbraw/zinc/24/31/52/808243152.db2.gz ORKDWPSSVFSCSB-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)[C@H]1CC[C@H](C(C)C)CC1 ZINC001266342967 808245534 /nfs/dbraw/zinc/24/55/34/808245534.db2.gz ZVBSWKBVXDPQQN-QAQDUYKDSA-N 1 1 294.483 3.463 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CCO[C@H](COC)C1 ZINC001172362276 808256355 /nfs/dbraw/zinc/25/63/55/808256355.db2.gz TWRIUZLOUUSAMC-CVEARBPZSA-N 1 1 271.445 3.473 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CC)CCNC(=O)c1ccc(C)cc1 ZINC001266432110 808262529 /nfs/dbraw/zinc/26/25/29/808262529.db2.gz ROMIUTWTEIDKTE-MRXNPFEDSA-N 1 1 288.435 3.401 20 30 CGEDMO C=CC[N@@H+](CC)CCNC(=O)[C@H](C)CC1CCCCC1 ZINC001266431743 808262689 /nfs/dbraw/zinc/26/26/89/808262689.db2.gz LJZFWZXCUUXZPE-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)CCC2CCC2)C1 ZINC001266453189 808266825 /nfs/dbraw/zinc/26/68/25/808266825.db2.gz ZNRRPJBEQRRLKA-KRWDZBQOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H](CC)C(C)C ZINC001266488014 808274146 /nfs/dbraw/zinc/27/41/46/808274146.db2.gz AMXVWTIHRZIMBK-JKSUJKDBSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](CNC(=O)C(C)(C)CC)C1 ZINC001266528664 808282790 /nfs/dbraw/zinc/28/27/90/808282790.db2.gz VLDNENNONVNXPC-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1CC[N@H+](CC2CC(C)C2)C1 ZINC001266537394 808283448 /nfs/dbraw/zinc/28/34/48/808283448.db2.gz KRPOUHTYJKFYGM-PCKAHOCUSA-N 1 1 292.467 3.073 20 30 CGEDMO CC[NH+](CC)c1ccc(Nc2ncc(C#N)nc2C)cc1 ZINC001212969056 815191400 /nfs/dbraw/zinc/19/14/00/815191400.db2.gz KBXJPFMJIBVBJH-UHFFFAOYSA-N 1 1 281.363 3.247 20 30 CGEDMO C=C(Cl)C[N@H+](CCC)CCNC(=O)C1CC(C)(C)C1 ZINC001266560243 808286346 /nfs/dbraw/zinc/28/63/46/808286346.db2.gz FRAXIWPXOYOZKO-UHFFFAOYSA-N 1 1 286.847 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+](CCC)CCNC(=O)C1CC(C)(C)C1 ZINC001266560243 808286350 /nfs/dbraw/zinc/28/63/50/808286350.db2.gz FRAXIWPXOYOZKO-UHFFFAOYSA-N 1 1 286.847 3.003 20 30 CGEDMO CC[C@@H](CC(C)C)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001172404132 808291130 /nfs/dbraw/zinc/29/11/30/808291130.db2.gz YXBRCFVTDPGAHS-STQMWFEESA-N 1 1 253.411 3.085 20 30 CGEDMO C[C@@H](CCCC#N)[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001172492424 808352156 /nfs/dbraw/zinc/35/21/56/808352156.db2.gz LGULAXVHYZSHFX-FUHWJXTLSA-N 1 1 285.435 3.275 20 30 CGEDMO C[C@H](CCCC#N)[N@@H+](C)CCCCNC(=O)OC(C)(C)C ZINC001172499208 808355647 /nfs/dbraw/zinc/35/56/47/808355647.db2.gz VPAPKQDPUQQTJA-CQSZACIVSA-N 1 1 297.443 3.305 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)/C(C)=C\C)C1 ZINC001267102229 808357219 /nfs/dbraw/zinc/35/72/19/808357219.db2.gz DKVUSCHOAXAEPZ-USCQQBMNSA-N 1 1 278.440 3.230 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC001172504247 808360160 /nfs/dbraw/zinc/36/01/60/808360160.db2.gz FIGRWUQHTASVGN-GOEBONIOSA-N 1 1 258.365 3.222 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CC[C@@H](OCc2ccccc2)C1 ZINC001172507070 808361993 /nfs/dbraw/zinc/36/19/93/808361993.db2.gz OKXVIQPUUXZXCX-NVXWUHKLSA-N 1 1 272.392 3.360 20 30 CGEDMO C[C@@H](CCCC#N)[N@@H+](C)Cc1cccc(F)c1F ZINC001172510228 808366348 /nfs/dbraw/zinc/36/63/48/808366348.db2.gz XTXAVXRBTSJVIE-NSHDSACASA-N 1 1 252.308 3.479 20 30 CGEDMO C=CC[N@H+](C)CCNC(=O)C[C@@H](CC)c1ccc(C)cc1 ZINC001267216726 808383325 /nfs/dbraw/zinc/38/33/25/808383325.db2.gz YUKFERJVTVAXRS-MRXNPFEDSA-N 1 1 288.435 3.113 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H](C)CCC ZINC001267259535 808399115 /nfs/dbraw/zinc/39/91/15/808399115.db2.gz COSNPPQEVSQBRJ-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)CCC ZINC001267275468 808402328 /nfs/dbraw/zinc/40/23/28/808402328.db2.gz WKBUPLROOFVQEC-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@H]1CCC[C@H](C(=O)OC)C1 ZINC001172628445 808405020 /nfs/dbraw/zinc/40/50/20/808405020.db2.gz JUUNWZGTVKJTSX-IRXDYDNUSA-N 1 1 287.403 3.406 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](CCCC)C(C)C ZINC001267282038 808405292 /nfs/dbraw/zinc/40/52/92/808405292.db2.gz AIYNYUVHRRRJTN-IRXDYDNUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)CC[C@H](C)CC)C1 ZINC001267306698 808410406 /nfs/dbraw/zinc/41/04/06/808410406.db2.gz WQWKKVYSBUIKAK-OCCSQVGLSA-N 1 1 286.847 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)CC[C@H](C)CC)C1 ZINC001267306698 808410414 /nfs/dbraw/zinc/41/04/14/808410414.db2.gz WQWKKVYSBUIKAK-OCCSQVGLSA-N 1 1 286.847 3.003 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H](F)C(C)C)C1 ZINC001267473215 808431086 /nfs/dbraw/zinc/43/10/86/808431086.db2.gz BFBJWSBNISGZFS-HOTGVXAUSA-N 1 1 298.446 3.260 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)C[C@H](C)CC(C)C)C1 ZINC001267488778 808431657 /nfs/dbraw/zinc/43/16/57/808431657.db2.gz PHUPDYKYRDMXTD-IAGOWNOFSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)[C@H]1C[C@H](C)C[C@H](C)C1)C(C)C ZINC001267512294 808437158 /nfs/dbraw/zinc/43/71/58/808437158.db2.gz GVVLEGCVUZTCNX-FVQHAEBGSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CC(C)(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](F)CC ZINC001267529758 808440059 /nfs/dbraw/zinc/44/00/59/808440059.db2.gz HJDBGVWBZONAFY-KFWWJZLASA-N 1 1 296.430 3.012 20 30 CGEDMO C=CC(C)(C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](F)CC ZINC001267529758 808440065 /nfs/dbraw/zinc/44/00/65/808440065.db2.gz HJDBGVWBZONAFY-KFWWJZLASA-N 1 1 296.430 3.012 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](N(CCC)C(=O)CC)C1 ZINC001267538755 808442368 /nfs/dbraw/zinc/44/23/68/808442368.db2.gz KIHPOQSXZWIFRL-LSDHHAIUSA-N 1 1 266.429 3.064 20 30 CGEDMO C=CCCC(=O)N(CCC)[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001267538087 808442911 /nfs/dbraw/zinc/44/29/11/808442911.db2.gz MJJPLGDDFUVYAN-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)CCCC#CC)C1 ZINC001267545334 808444381 /nfs/dbraw/zinc/44/43/81/808444381.db2.gz AJYRALTZZBNVKP-KRWDZBQOSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](CCNC(=O)C=C(C)C)C1 ZINC001267549469 808444398 /nfs/dbraw/zinc/44/43/98/808444398.db2.gz FACPWDPVLHFYRS-HZPDHXFCSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)CCC(C)C)C1 ZINC001267551737 808446485 /nfs/dbraw/zinc/44/64/85/808446485.db2.gz RCSUWDVMARMMAM-CQSZACIVSA-N 1 1 286.847 3.003 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)/C=C\C(C)(C)C)C1 ZINC001267580507 808451740 /nfs/dbraw/zinc/45/17/40/808451740.db2.gz XUHOTDJJIJINPZ-IQCBXXCUSA-N 1 1 298.858 3.122 20 30 CGEDMO Cc1ccc2c(c1)C[C@@H]([N@H+]1CC[C@@](C)(C#N)C1)CC2 ZINC001172837997 808453318 /nfs/dbraw/zinc/45/33/18/808453318.db2.gz KGZYCCHZFPCWPQ-IRXDYDNUSA-N 1 1 254.377 3.088 20 30 CGEDMO C=C(C)C[N@H+](C)CC1CCN(C(=O)[C@@H](C)C(C)(C)C)CC1 ZINC001267601400 808457107 /nfs/dbraw/zinc/45/71/07/808457107.db2.gz NLWSHMDPZHHLCE-OAHLLOKOSA-N 1 1 294.483 3.415 20 30 CGEDMO CC[N@@H+](CCC#N)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912907 808477586 /nfs/dbraw/zinc/47/75/86/808477586.db2.gz CWOMBSYUKNYEJC-HNNXBMFYSA-N 1 1 287.363 3.078 20 30 CGEDMO CO[C@@H]1CCC[C@H]([N@@H+](CCC#N)Cc2ccccc2)C1 ZINC001172931948 808487402 /nfs/dbraw/zinc/48/74/02/808487402.db2.gz MFZRILCDMCDRNH-DLBZAZTESA-N 1 1 272.392 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C)CCCCC)C1 ZINC001267773424 808488424 /nfs/dbraw/zinc/48/84/24/808488424.db2.gz NDGFJIBIEBNBNW-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO CC[N@@H+](C(C)C)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172979683 808497046 /nfs/dbraw/zinc/49/70/46/808497046.db2.gz GRERODSXBKVWNT-KBPBESRZSA-N 1 1 295.427 3.008 20 30 CGEDMO N#CCC[N@H+](Cc1ccccc1)[C@H]1CCc2ncsc2C1 ZINC001173138055 808523665 /nfs/dbraw/zinc/52/36/65/808523665.db2.gz YVGLAVQQWITESN-HNNXBMFYSA-N 1 1 297.427 3.416 20 30 CGEDMO N#CCC[N@@H+](Cc1ccccc1)[C@H]1CCc2ncsc2C1 ZINC001173138055 808523670 /nfs/dbraw/zinc/52/36/70/808523670.db2.gz YVGLAVQQWITESN-HNNXBMFYSA-N 1 1 297.427 3.416 20 30 CGEDMO N#C[C@@H]1CC[N@H+](C2CCC(Oc3ccccc3)CC2)C1 ZINC001173203187 808536185 /nfs/dbraw/zinc/53/61/85/808536185.db2.gz JSZZKFXDWSWQRJ-UQPPLGOBSA-N 1 1 270.376 3.222 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173235425 808544860 /nfs/dbraw/zinc/54/48/60/808544860.db2.gz WUFHRSUREVQJJD-CYBMUJFWSA-N 1 1 262.353 3.424 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[C@@H](C)C1 ZINC001268248062 808568093 /nfs/dbraw/zinc/56/80/93/808568093.db2.gz RWJRMAYVDRKCAK-CVEARBPZSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[N@H+](C)CCN(C)C(=O)c1ccc(C)c2ccccc12 ZINC001268250117 808570369 /nfs/dbraw/zinc/57/03/69/808570369.db2.gz IOQCKGMZTQOZBF-UHFFFAOYSA-N 1 1 296.414 3.338 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)c1ccc(CF)cc1 ZINC001268260694 808571195 /nfs/dbraw/zinc/57/11/95/808571195.db2.gz XZCBERYNVKTMDP-UHFFFAOYSA-N 1 1 292.398 3.126 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCC(C)C)CC[C@H]21 ZINC001268262309 808573395 /nfs/dbraw/zinc/57/33/95/808573395.db2.gz JZEBWPHOKFBTOM-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCOC1CCC([N@@H+]2CCC(F)(F)[C@@H](C)C2)CC1 ZINC001173320195 808610016 /nfs/dbraw/zinc/61/00/16/808610016.db2.gz DEYQUABPBSZKOC-HSBZDZAISA-N 1 1 273.367 3.477 20 30 CGEDMO C=CCOC1CCC([NH2+][C@@H](C(=O)OCC)[C@@H](C)CC)CC1 ZINC001173318448 808610134 /nfs/dbraw/zinc/61/01/34/808610134.db2.gz VQLBHGAPHAKHJO-SLTXQBBLSA-N 1 1 297.439 3.068 20 30 CGEDMO C=CCOC1CCC([N@@H+](C)Cc2ccccn2)CC1 ZINC001173319309 808610403 /nfs/dbraw/zinc/61/04/03/808610403.db2.gz DZEWJVLMCCJRCR-UHFFFAOYSA-N 1 1 260.381 3.027 20 30 CGEDMO C=CCOC1CCC([N@H+]2CCC[C@@H](CF)C2)CC1 ZINC001173327173 808612696 /nfs/dbraw/zinc/61/26/96/808612696.db2.gz IELGCFWIHDFMCB-NFOMZHRRSA-N 1 1 255.377 3.182 20 30 CGEDMO N#CCC1CCC([N@H+]2CCO[C@@H](Cc3ccccc3)C2)CC1 ZINC001173336537 808617067 /nfs/dbraw/zinc/61/70/67/808617067.db2.gz CTRRYXHIVVZOSR-KVZIAJEVSA-N 1 1 298.430 3.402 20 30 CGEDMO N#CCC1CCC([N@H+]2CCc3cnc(C4CC4)nc3C2)CC1 ZINC001173341536 808621789 /nfs/dbraw/zinc/62/17/89/808621789.db2.gz ZBTOLYYLPGNFFD-UHFFFAOYSA-N 1 1 296.418 3.185 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc(Cl)s1 ZINC001268755783 808623672 /nfs/dbraw/zinc/62/36/72/808623672.db2.gz CQWPGKPXBKWBTJ-SNVBAGLBSA-N 1 1 286.828 3.028 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](C/C=C\c2ccccc2)C1 ZINC001269029842 808642731 /nfs/dbraw/zinc/64/27/31/808642731.db2.gz PDMPVFYVVZTCFW-KKMIYCERSA-N 1 1 298.430 3.247 20 30 CGEDMO CC1(C#N)CCC([N@@H+](C2CCC2)C2CCOCC2)CC1 ZINC001173597068 808650999 /nfs/dbraw/zinc/65/09/99/808650999.db2.gz KOUKCNQZCROPRK-UHFFFAOYSA-N 1 1 276.424 3.492 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CC[C@@H](Oc3ccncc3)C2)CC1 ZINC001173597731 808651188 /nfs/dbraw/zinc/65/11/88/808651188.db2.gz HEMXYTXOGCNVLP-ARWYELJZSA-N 1 1 285.391 3.007 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)C1CCC(C)(C#N)CC1 ZINC001173600611 808651408 /nfs/dbraw/zinc/65/14/08/808651408.db2.gz GPSHCDRXMFJHOL-UHFFFAOYSA-N 1 1 267.376 3.463 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]1CNC(=O)CC1=CCCCC1 ZINC001269211054 808656953 /nfs/dbraw/zinc/65/69/53/808656953.db2.gz QTIBYQNFGHIMMZ-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)c2coc(C)c2)C1 ZINC001269232961 808658885 /nfs/dbraw/zinc/65/88/85/808658885.db2.gz BPRCBZMCUMFXPB-XJKSGUPXSA-N 1 1 290.407 3.089 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CC=CCC2)C1 ZINC001269263680 808662133 /nfs/dbraw/zinc/66/21/33/808662133.db2.gz SVEWNSWINQXWDI-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C[C@@H]1CC([N@@H+](C)CCC#N)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001173680883 808663698 /nfs/dbraw/zinc/66/36/98/808663698.db2.gz WJFRVTKCHDMTSH-CHWSQXEVSA-N 1 1 295.427 3.008 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)CC(C)(C)C)C1 ZINC001269295344 808664893 /nfs/dbraw/zinc/66/48/93/808664893.db2.gz CISANORWZKIGEC-AWEZNQCLSA-N 1 1 280.456 3.168 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](CCC)CC(C)C)C1 ZINC001269303202 808668462 /nfs/dbraw/zinc/66/84/62/808668462.db2.gz ZMYNSDORACFHQT-DLBZAZTESA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)CC[C@H](C)CC)C2)C1 ZINC001269743241 808702749 /nfs/dbraw/zinc/70/27/49/808702749.db2.gz YYLMESNJZJLXND-SJLPKXTDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC1(CC(=O)N(C)C2C[NH+](CCCF)C2)CCCCC1 ZINC001269861540 808707965 /nfs/dbraw/zinc/70/79/65/808707965.db2.gz ILAJXPWALOPCCW-UHFFFAOYSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@]1(C)CC[N@H+](C[C@@H](C)CC)C1 ZINC001270590762 808738555 /nfs/dbraw/zinc/73/85/55/808738555.db2.gz RVJSALVETYXEDJ-YJBOKZPZSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)C[C@@H](C)C2CCCCC2)C1 ZINC001270642784 808741306 /nfs/dbraw/zinc/74/13/06/808741306.db2.gz OGMNMVPZVBURLT-CRAIPNDOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001270883793 808751241 /nfs/dbraw/zinc/75/12/41/808751241.db2.gz CYDKTOXAFYROHJ-IYBDPMFKSA-N 1 1 278.440 3.208 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)C(C)(CC)CC)C1 ZINC001271016168 808759314 /nfs/dbraw/zinc/75/93/14/808759314.db2.gz FUGDFIRJMZIIII-KRWDZBQOSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CC[N@H+](C)CCC1CCN(C(=O)C2(CC)CCC2)CC1 ZINC001271785352 808783284 /nfs/dbraw/zinc/78/32/84/808783284.db2.gz UADMKEVGAVQJLE-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@H+](C)CCC1CCN(C(=O)[C@H](C)C2CCC2)CC1 ZINC001271778368 808783709 /nfs/dbraw/zinc/78/37/09/808783709.db2.gz HAVNSWTVNZRFAD-OAHLLOKOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@H]1CC=CCC1 ZINC001271962215 808789960 /nfs/dbraw/zinc/78/99/60/808789960.db2.gz INBNNXXOHYROAV-CVEARBPZSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCCC(=O)N(C)CC[N@@H+](C)C/C=C/c1ccccc1 ZINC001271977696 808790660 /nfs/dbraw/zinc/79/06/60/808790660.db2.gz STIRZTNBLDDKII-FMIVXFBMSA-N 1 1 286.419 3.056 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC(C)C ZINC001272005872 808791733 /nfs/dbraw/zinc/79/17/33/808791733.db2.gz PDGIUIYAOWFINO-HOTGVXAUSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[C@H](C=C)CC)[C@@H]2C1 ZINC001272078275 808796077 /nfs/dbraw/zinc/79/60/77/808796077.db2.gz CKZMYWZJHCZSHK-IXDOHACOSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)c1cc(C)c(C)s1 ZINC001272165302 808798870 /nfs/dbraw/zinc/79/88/70/808798870.db2.gz UMNBFXKECJYFEE-UHFFFAOYSA-N 1 1 294.464 3.335 20 30 CGEDMO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccccc1CC ZINC001272420982 808807238 /nfs/dbraw/zinc/80/72/38/808807238.db2.gz GPTNLIZJQFUCQR-QZTJIDSGSA-N 1 1 298.430 3.000 20 30 CGEDMO C=CCN1CC[C@]2(CC[N@H+](C[C@H](CC)CCCC)C2)C1=O ZINC001272429560 808808196 /nfs/dbraw/zinc/80/81/96/808808196.db2.gz LJLHMSJXCHJSAN-AEFFLSMTSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@]12CCN(CC(C)C)C2=O ZINC001272701440 808822024 /nfs/dbraw/zinc/82/20/24/808822024.db2.gz HHUXROGZDGJVLZ-GOSISDBHSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@H](C)C(C)C)CC1 ZINC001273455803 808846411 /nfs/dbraw/zinc/84/64/11/808846411.db2.gz AELSGVJTARAKRI-KGLIPLIRSA-N 1 1 286.847 3.002 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@]2(CCN([C@@H](C)CC)C2=O)CC1 ZINC001273487169 808848168 /nfs/dbraw/zinc/84/81/68/808848168.db2.gz VSMUJJODNARCCI-FUHWJXTLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@H+]1CC[C@]2(C1)c1ccccc1N(CC=C)C2=O ZINC001273486453 808848886 /nfs/dbraw/zinc/84/88/86/808848886.db2.gz HWLZMDFOAYBBDT-IBGZPJMESA-N 1 1 296.414 3.129 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)c1cc(C)cs1 ZINC001273507933 808849415 /nfs/dbraw/zinc/84/94/15/808849415.db2.gz PCLJTMIPINEHAE-UHFFFAOYSA-N 1 1 280.437 3.027 20 30 CGEDMO CC#CCCCC(=O)N(C)CCC[N@@H+](C)CC1CCCC1 ZINC001273547744 808854233 /nfs/dbraw/zinc/85/42/33/808854233.db2.gz HGIPUWKOGIAOIO-UHFFFAOYSA-N 1 1 292.467 3.151 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C2CC2)C[C@@H]1C ZINC001274644592 808881250 /nfs/dbraw/zinc/88/12/50/808881250.db2.gz QYOKDUYGRAZHFM-GOEBONIOSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC1CCN(C(=O)[C@H](C)C2CC2)CC1 ZINC001274945371 808894133 /nfs/dbraw/zinc/89/41/33/808894133.db2.gz JHBOXJZIAOPYLM-OAHLLOKOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCCC[N@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc[nH]1 ZINC001274975105 808896042 /nfs/dbraw/zinc/89/60/42/808896042.db2.gz WMWWGJSPKNKHHA-IRXDYDNUSA-N 1 1 273.424 3.020 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]1C[N@H+](C)CC[C@H](C)F ZINC001275113658 808911454 /nfs/dbraw/zinc/91/14/54/808911454.db2.gz BZDCZKLMBISZRZ-GJZGRUSLSA-N 1 1 284.419 3.014 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)c1cc(C)cs1 ZINC001275552124 808948026 /nfs/dbraw/zinc/94/80/26/808948026.db2.gz OPAGILNOLKUZQS-UONOGXRCSA-N 1 1 294.464 3.461 20 30 CGEDMO C#CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](CC)CC1CCCCC1 ZINC001275665621 808955841 /nfs/dbraw/zinc/95/58/41/808955841.db2.gz KKFWGJCDRYFJMA-WBVHZDCISA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@H+](C)C[C@H](C)NC(=O)C1(CC=C)CCCCC1 ZINC001275729445 808959691 /nfs/dbraw/zinc/95/96/91/808959691.db2.gz MOWLNBGWVQNGDA-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)c1cccn1C(C)C ZINC001275720629 808959720 /nfs/dbraw/zinc/95/97/20/808959720.db2.gz KJUGDWCBGHXAQQ-HNNXBMFYSA-N 1 1 291.439 3.085 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)C[C@H]1C=CCCC1 ZINC001275858275 808970902 /nfs/dbraw/zinc/97/09/02/808970902.db2.gz HYUIOVGPAVDISW-CVEARBPZSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)c1cccc(C(F)F)c1 ZINC001275976411 808981179 /nfs/dbraw/zinc/98/11/79/808981179.db2.gz DGOLJPLAXQMMOR-LBPRGKRZSA-N 1 1 296.361 3.250 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)[C@H](CC)CCCC)C(C)(C)C1 ZINC001276560477 809017284 /nfs/dbraw/zinc/01/72/84/809017284.db2.gz ALBXJPRUFVYLDS-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C[N@H+]1CCC[C@@]2(CCCN(c3ccc(F)c(C#N)c3)C2)C1 ZINC001277034903 809055002 /nfs/dbraw/zinc/05/50/02/809055002.db2.gz CBQKOENOBAKOML-QGZVFWFLSA-N 1 1 287.382 3.010 20 30 CGEDMO C=C(C)CCC(=O)N1CCC([C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC001277273825 809066796 /nfs/dbraw/zinc/06/67/96/809066796.db2.gz HUUJILDNJOCCRD-QGZVFWFLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@H+](CCNC(C)=O)C1CCCCCC1 ZINC001277368059 809071641 /nfs/dbraw/zinc/07/16/41/809071641.db2.gz BMXHFOUKYILLLQ-UHFFFAOYSA-N 1 1 266.429 3.114 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C1CCN(C(=O)[C@@H](F)C(C)C)CC1 ZINC001277417883 809074079 /nfs/dbraw/zinc/07/40/79/809074079.db2.gz ZJMCHIYYZRFFRN-HOCLYGCPSA-N 1 1 298.446 3.258 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)CC2CCCCC2)C1 ZINC001278358869 809127313 /nfs/dbraw/zinc/12/73/13/809127313.db2.gz ZXBNZPUULHLJNA-KRWDZBQOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@](C)(NC(=O)C(F)=C2CCCC2)C1 ZINC001278382735 809129581 /nfs/dbraw/zinc/12/95/81/809129581.db2.gz YOCWIZLZCWAORL-KRWDZBQOSA-N 1 1 294.414 3.331 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](F)C(C)C)C1 ZINC001278420694 809131114 /nfs/dbraw/zinc/13/11/14/809131114.db2.gz OLUABNNUVYUKLG-DOTOQJQBSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C(CC=C)CC=C)[C@H]1C ZINC001278511298 809139137 /nfs/dbraw/zinc/13/91/37/809139137.db2.gz SWYLBBDBCQDRRB-WBVHZDCISA-N 1 1 290.451 3.300 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1CCC[N@H+](CCCC(C)C)[C@H]1C ZINC001278506423 809139514 /nfs/dbraw/zinc/13/95/14/809139514.db2.gz QMMOCQJVUACBIV-DLBZAZTESA-N 1 1 292.467 3.195 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)[C@H]1CCCC2(CC2)C1)C(C)C ZINC001278908734 809155854 /nfs/dbraw/zinc/15/58/54/809155854.db2.gz XJRHEZGYOHNAGE-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC(C)(C)CC[C@H]1CO ZINC001174818800 809171075 /nfs/dbraw/zinc/17/10/75/809171075.db2.gz PPGGPTXLOVBOJX-INIZCTEOSA-N 1 1 286.419 3.158 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC(C)(C)C ZINC001279539477 809173023 /nfs/dbraw/zinc/17/30/23/809173023.db2.gz CMWWPWQYJFAFPY-CVEARBPZSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC(C)(C)CC(=O)NCC1=CC[N@@H+](CCCC)CC1 ZINC001279564750 809174424 /nfs/dbraw/zinc/17/44/24/809174424.db2.gz IMJVXYTWEHGKEG-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C[N@H+]1CCc2c(C#N)c(Nc3cccc(O)c3)sc2C1 ZINC001174887810 809190826 /nfs/dbraw/zinc/19/08/26/809190826.db2.gz XRGFNLDURAZCLH-UHFFFAOYSA-N 1 1 285.372 3.057 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)C2(CC=C)CCC2)CC1 ZINC001280756880 809197155 /nfs/dbraw/zinc/19/71/55/809197155.db2.gz PPNSSIJKSIQBHY-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001280822843 809200107 /nfs/dbraw/zinc/20/01/07/809200107.db2.gz RPEKDHUTSACIOY-QGZVFWFLSA-N 1 1 292.467 3.479 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001280833380 809201638 /nfs/dbraw/zinc/20/16/38/809201638.db2.gz XQLQADOLOUDTTN-HUUCEWRRSA-N 1 1 280.456 3.025 20 30 CGEDMO CC#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)CC(C)C)C[C@H]1C ZINC001281684734 809217786 /nfs/dbraw/zinc/21/77/86/809217786.db2.gz KFPDUSHCWOAAGC-CVEARBPZSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)CCC ZINC001281919820 809223821 /nfs/dbraw/zinc/22/38/21/809223821.db2.gz QFTNFFWRUPFNOX-HUUCEWRRSA-N 1 1 266.429 3.064 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)C1CC2(CCC2)C1 ZINC001281953144 809225446 /nfs/dbraw/zinc/22/54/46/809225446.db2.gz RWIPKIKOQOQWKV-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)c1ccccc1C ZINC001282343785 809241828 /nfs/dbraw/zinc/24/18/28/809241828.db2.gz MSLAIYSCJCALAU-OAHLLOKOSA-N 1 1 274.408 3.011 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001282391608 809247055 /nfs/dbraw/zinc/24/70/55/809247055.db2.gz QVGSSBIITLOAGY-HRCADAONSA-N 1 1 294.483 3.461 20 30 CGEDMO C/C=C\C[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccn2)C1 ZINC001175055092 809255572 /nfs/dbraw/zinc/25/55/72/809255572.db2.gz UMCPLYPNAMJYAD-PYLYLYNFSA-N 1 1 255.365 3.131 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C/C=C(/C)C=C ZINC001282677044 809259670 /nfs/dbraw/zinc/25/96/70/809259670.db2.gz XNCUNLABSXDURY-DDITZMBXSA-N 1 1 276.424 3.056 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2=CCCC2)C(C)(C)C1 ZINC001282797102 809263514 /nfs/dbraw/zinc/26/35/14/809263514.db2.gz LPGSEFNRCATQBF-GDBMZVCRSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCC(C)C)CC1(C)C ZINC001282823053 809265408 /nfs/dbraw/zinc/26/54/08/809265408.db2.gz OPRZMDSWXKJPQM-OAHLLOKOSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1C[N@@H+](C[C@@H](F)CC)CC1(C)C ZINC001282823172 809265451 /nfs/dbraw/zinc/26/54/51/809265451.db2.gz VYMDALLPFYSYEF-KBPBESRZSA-N 1 1 298.446 3.163 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1C[N@H+](C[C@@H](F)CC)CC1(C)C ZINC001282823172 809265456 /nfs/dbraw/zinc/26/54/56/809265456.db2.gz VYMDALLPFYSYEF-KBPBESRZSA-N 1 1 298.446 3.163 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC(=C)C)C[C@H]2C1 ZINC001282947759 809266864 /nfs/dbraw/zinc/26/68/64/809266864.db2.gz LXAOWFJZLNSICR-YESZJQIVSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)[C@@H]2CC[C@@H](C)C2)CC1 ZINC001283332193 809276451 /nfs/dbraw/zinc/27/64/51/809276451.db2.gz SARMJRODIZKATR-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC1(C(=O)N2CCC([N@H+](C)CC)CC2)CCCC1 ZINC001283344250 809276725 /nfs/dbraw/zinc/27/67/25/809276725.db2.gz OKKFHBJZUDMWQB-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCCC(=O)N[C@]12CCC[C@H]1[N@@H+](C[C@@H](F)CC)CC2 ZINC001284070325 809294900 /nfs/dbraw/zinc/29/49/00/809294900.db2.gz SKXJAUOFRKCCMP-UXLLHSPISA-N 1 1 296.430 3.204 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CCC[N@H+](CC(CC)CC)[C@H]1C ZINC001284117617 809295915 /nfs/dbraw/zinc/29/59/15/809295915.db2.gz GSIDDXMNXXMUNY-GOEBONIOSA-N 1 1 280.456 3.358 20 30 CGEDMO CC#CCCCC(=O)N[C@@H]1CCC[N@@H+](CC=C(C)C)[C@@H]1C ZINC001284129472 809297533 /nfs/dbraw/zinc/29/75/33/809297533.db2.gz IJJONBMUNOHWMF-IAGOWNOFSA-N 1 1 290.451 3.115 20 30 CGEDMO C=CC[N@H+](C)CCN(C(=O)c1ccccc1CC)C(C)C ZINC001284544150 809307872 /nfs/dbraw/zinc/30/78/72/809307872.db2.gz DVXPVXCSXISHRY-UHFFFAOYSA-N 1 1 288.435 3.217 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)C1CCC=CCC1)C(C)C ZINC001284558118 809308971 /nfs/dbraw/zinc/30/89/71/809308971.db2.gz IREYSBDQKWCFTE-UHFFFAOYSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)C[C@H](CC)C(C)C)CC1 ZINC001284977288 809320778 /nfs/dbraw/zinc/32/07/78/809320778.db2.gz SVKOKMUCCSSTQN-KRWDZBQOSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)[C@@H](CCC)CC(C)C)CC1 ZINC001284995827 809321546 /nfs/dbraw/zinc/32/15/46/809321546.db2.gz SRTWGTIOAMLAHC-KRWDZBQOSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001176771072 809760164 /nfs/dbraw/zinc/76/01/64/809760164.db2.gz FILYBHMGKOCETH-DLBZAZTESA-N 1 1 270.376 3.022 20 30 CGEDMO C#C[C@H]1CCCC[N@H+]1C[C@@H]1CC2(CO1)CCCCC2 ZINC001176832823 809764378 /nfs/dbraw/zinc/76/43/78/809764378.db2.gz JXVSGXVVWBBVDV-HOTGVXAUSA-N 1 1 261.409 3.214 20 30 CGEDMO C=CCOc1cccc(CNC[C@@H]2CCCC[N@H+]2CC)c1 ZINC001177816204 809824051 /nfs/dbraw/zinc/82/40/51/809824051.db2.gz HIROGSDARXZFGR-KRWDZBQOSA-N 1 1 288.435 3.215 20 30 CGEDMO C=CCOc1cccc(CNC[C@@H]2CCCC[N@@H+]2CC)c1 ZINC001177816204 809824057 /nfs/dbraw/zinc/82/40/57/809824057.db2.gz HIROGSDARXZFGR-KRWDZBQOSA-N 1 1 288.435 3.215 20 30 CGEDMO Cc1ccc(C[NH2+][C@H](C)CC#N)c(C)c1Br ZINC001179478402 809924158 /nfs/dbraw/zinc/92/41/58/809924158.db2.gz ATAFIWWNHWQRLM-SNVBAGLBSA-N 1 1 281.197 3.458 20 30 CGEDMO C[C@H](CC#N)[NH2+]Cc1cc2ccnc(Cl)c2s1 ZINC001179479619 809924284 /nfs/dbraw/zinc/92/42/84/809924284.db2.gz PEEOBPSXQMXKJX-MRVPVSSYSA-N 1 1 265.769 3.341 20 30 CGEDMO CC(C)[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1N(C)C ZINC001180129371 809977288 /nfs/dbraw/zinc/97/72/88/809977288.db2.gz PRXPJMCVKYHERL-INIZCTEOSA-N 1 1 271.408 3.245 20 30 CGEDMO C=CC[N@@H+](C)Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC001181054077 810033969 /nfs/dbraw/zinc/03/39/69/810033969.db2.gz GACVGHLGYLACJA-UHFFFAOYSA-N 1 1 267.394 3.321 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC001181054077 810033973 /nfs/dbraw/zinc/03/39/73/810033973.db2.gz GACVGHLGYLACJA-UHFFFAOYSA-N 1 1 267.394 3.321 20 30 CGEDMO C=CCN1CC[C@@H]([N@H+](C)C[C@@H](C)CC2CCCCC2)C1=O ZINC001181244345 810043212 /nfs/dbraw/zinc/04/32/12/810043212.db2.gz PWXFENYVZBWKNY-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccc(OC)c(OC)c1F ZINC001181315091 810047629 /nfs/dbraw/zinc/04/76/29/810047629.db2.gz JYRLTVXQZVSPSK-ZDUSSCGKSA-N 1 1 279.355 3.383 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(OC)c(OC)c1F ZINC001181315091 810047634 /nfs/dbraw/zinc/04/76/34/810047634.db2.gz JYRLTVXQZVSPSK-ZDUSSCGKSA-N 1 1 279.355 3.383 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H](C)CC(C)(C)C ZINC001182176152 810097406 /nfs/dbraw/zinc/09/74/06/810097406.db2.gz XZVBILJGOZWPRO-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO CC#CCCCCCCCC(=O)NCC[C@H]1CCC[N@H+]1C ZINC001182770399 810124060 /nfs/dbraw/zinc/12/40/60/810124060.db2.gz NCTVJFYVVQCEOQ-QGZVFWFLSA-N 1 1 292.467 3.341 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3ccccc3)[C@@H]2C1 ZINC001186673858 810356952 /nfs/dbraw/zinc/35/69/52/810356952.db2.gz AWODADKPBOBLEK-RYQLBKOJSA-N 1 1 298.430 3.188 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)c2ccsc2)C1 ZINC001188776319 810513392 /nfs/dbraw/zinc/51/33/92/810513392.db2.gz KDTHRXWLWVZODF-ZFWWWQNUSA-N 1 1 292.448 3.249 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)c2occc2C)C1 ZINC001188863600 810519641 /nfs/dbraw/zinc/51/96/41/810519641.db2.gz UGIZRUJSAVDNMW-LSDHHAIUSA-N 1 1 290.407 3.089 20 30 CGEDMO C=C/C(C)=C/CC(=O)N1CC[C@H]2C[N@H+](CCC(=C)C)C[C@H]21 ZINC001188857203 810519860 /nfs/dbraw/zinc/51/98/60/810519860.db2.gz WWMKIWYHOBJNPO-RMBMISDLSA-N 1 1 288.435 3.008 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)C)C1 ZINC001188916041 810522712 /nfs/dbraw/zinc/52/27/12/810522712.db2.gz SSIAZKQRTRADIA-OAHLLOKOSA-N 1 1 268.445 3.146 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)/C=C\C(C)(C)C)C1 ZINC001189438334 810571010 /nfs/dbraw/zinc/57/10/10/810571010.db2.gz RUHUQWBDFAXGCU-WQHRRFGKSA-N 1 1 292.467 3.476 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)CC(C)C)[C@@H]2C1 ZINC001189560686 810577517 /nfs/dbraw/zinc/57/75/17/810577517.db2.gz KGFCKXQDYYTIOB-YESZJQIVSA-N 1 1 292.467 3.168 20 30 CGEDMO C#CCCCC(=O)N1CC[C@H]([N@H+](C)CC/C=C/CCC)C1 ZINC001189910439 810594844 /nfs/dbraw/zinc/59/48/44/810594844.db2.gz PFZMPGGIPLBYAF-IJDCCNJMSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc3occc3c2)C1 ZINC001190278304 810616841 /nfs/dbraw/zinc/61/68/41/810616841.db2.gz FWDQQESSTODPBH-MRXNPFEDSA-N 1 1 298.386 3.155 20 30 CGEDMO CC#CC[N@H+](C)[C@H]1CCN(C(=O)CCC[C@H](C)CCC)C1 ZINC001190370924 810623150 /nfs/dbraw/zinc/62/31/50/810623150.db2.gz OSOAZUVJCGKNSP-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)C(=C)Cl)C1 ZINC001190355148 810623772 /nfs/dbraw/zinc/62/37/72/810623772.db2.gz UPVZFEVBQGOOEX-CQSZACIVSA-N 1 1 298.858 3.264 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCC23CC3)C1 ZINC001190910124 810655702 /nfs/dbraw/zinc/65/57/02/810655702.db2.gz HKAPIXILIPCNAM-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)C(C)(C)C)C1 ZINC001190932854 810657068 /nfs/dbraw/zinc/65/70/68/810657068.db2.gz DRVSSNVIHKERLO-HUUCEWRRSA-N 1 1 280.456 3.168 20 30 CGEDMO CCCCCCCCNC(=O)N1CCC([N@@H+](C)CC)CC1 ZINC001191067901 810669741 /nfs/dbraw/zinc/66/97/41/810669741.db2.gz FVGNLQMUFGLSDI-UHFFFAOYSA-N 1 1 297.487 3.473 20 30 CGEDMO C#CCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](CC)CCCC)C1 ZINC001191430011 810713188 /nfs/dbraw/zinc/71/31/88/810713188.db2.gz AIRONZSZOGPOSS-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO C#Cc1ccc(C(=O)N2CC[C@@H]([N@H+](C)CCCCC)C2)cc1 ZINC001191665708 810729541 /nfs/dbraw/zinc/72/95/41/810729541.db2.gz CUKCWNLJUMJLQU-GOSISDBHSA-N 1 1 298.430 3.004 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)C[C@@H](C)CC)C1 ZINC001191684685 810730524 /nfs/dbraw/zinc/73/05/24/810730524.db2.gz UGVINTADVBRBGD-GJZGRUSLSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)C=C)C1 ZINC001191720336 810732991 /nfs/dbraw/zinc/73/29/91/810732991.db2.gz SBDLQSJMXSEQIJ-MRXNPFEDSA-N 1 1 292.467 3.478 20 30 CGEDMO CC#CCCCC(=O)N1CC[C@@H]([N@@H+](C)CCC(C)(C)C)C1 ZINC001191858968 810752526 /nfs/dbraw/zinc/75/25/26/810752526.db2.gz GRCBPONYGASANA-MRXNPFEDSA-N 1 1 292.467 3.149 20 30 CGEDMO CC#CCCCC(=O)N1CC[C@@H]([N@H+](C)CC/C=C\CC)C1 ZINC001191859957 810752989 /nfs/dbraw/zinc/75/29/89/810752989.db2.gz UGUSXZKAHWWOMA-NBEHIINDSA-N 1 1 290.451 3.069 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[C@H]([N@H+](C)CC/C=C/CC)C1 ZINC001191891020 810753684 /nfs/dbraw/zinc/75/36/84/810753684.db2.gz WBQYOKGEMVNZGQ-LJFOUZCWSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)c2occc2C(C)C)C1 ZINC001191950603 810758121 /nfs/dbraw/zinc/75/81/21/810758121.db2.gz VEOGXUNNZUSJCU-AWEZNQCLSA-N 1 1 290.407 3.125 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]([N@H+](C)CC(CC)CC)C1 ZINC001192093019 810768213 /nfs/dbraw/zinc/76/82/13/810768213.db2.gz FMDQWQSBRXNZSI-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C2(C)CC=CC2)C1 ZINC001192153824 810771470 /nfs/dbraw/zinc/77/14/70/810771470.db2.gz WCLGCIZUOZFJJG-HZPDHXFCSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@@H]([N@@H+](C)CCC(=C)C)C1 ZINC001192162347 810772521 /nfs/dbraw/zinc/77/25/21/810772521.db2.gz OKBQALPZZTUGIN-WBVHZDCISA-N 1 1 278.440 3.088 20 30 CGEDMO C=C1CCC(C(=O)N2CC[C@H]([N@H+](C)CCC(C)C)C2)CC1 ZINC001192180095 810772819 /nfs/dbraw/zinc/77/28/19/810772819.db2.gz DXDLNAGWAPMCHU-KRWDZBQOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C1CCC(C(=O)N2CC[C@@H]([N@H+](C)CCCCC)C2)CC1 ZINC001192180638 810773853 /nfs/dbraw/zinc/77/38/53/810773853.db2.gz KPKPNECWQFHVKR-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC1(C(=O)N2CC[C@@H]([N@H+](C)C[C@H](C)CC)C2)CC1 ZINC001192207398 810775664 /nfs/dbraw/zinc/77/56/64/810775664.db2.gz WYZSMMKWGZCOIX-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC1(C(=O)N2CC[C@@H]([N@H+](C)CCCCC)C2)CC1 ZINC001192218926 810776827 /nfs/dbraw/zinc/77/68/27/810776827.db2.gz YSXYBQTXOQNZKI-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001192436058 810797446 /nfs/dbraw/zinc/79/74/46/810797446.db2.gz RYUSMEINKXIYSA-BRWVUGGUSA-N 1 1 292.467 3.168 20 30 CGEDMO C#CCCCCCC[N@@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC001192955848 810834605 /nfs/dbraw/zinc/83/46/05/810834605.db2.gz KWFUKUIYZQGRNQ-HOTGVXAUSA-N 1 1 265.441 3.299 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)Cc1ccc(C)c(F)c1 ZINC001193920145 810979764 /nfs/dbraw/zinc/97/97/64/810979764.db2.gz JWPLSGZBETVUQE-UHFFFAOYSA-N 1 1 264.388 3.074 20 30 CGEDMO C=CC[N@@H+](C)CCN(CC)Cc1ccc(C)c(F)c1 ZINC001193920145 810979770 /nfs/dbraw/zinc/97/97/70/810979770.db2.gz JWPLSGZBETVUQE-UHFFFAOYSA-N 1 1 264.388 3.074 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)Cc1ccc(C)c(F)c1 ZINC001193920145 810979773 /nfs/dbraw/zinc/97/97/73/810979773.db2.gz JWPLSGZBETVUQE-UHFFFAOYSA-N 1 1 264.388 3.074 20 30 CGEDMO C=CC[C@H]1[N@@H+](C/C=C/C(=O)OCC)CCCC1(C)C ZINC001193920926 810980251 /nfs/dbraw/zinc/98/02/51/810980251.db2.gz QZKWVBXBCGLAJZ-DNGMOHDESA-N 1 1 265.397 3.172 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C2CCC=CCC2)C1 ZINC001194060564 811008816 /nfs/dbraw/zinc/00/88/16/811008816.db2.gz MOXXOPNCHPENPF-KRWDZBQOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1COC(=O)N1CCCCC1 ZINC001194108126 811016224 /nfs/dbraw/zinc/01/62/24/811016224.db2.gz PIKVSWCHQLISJE-OAHLLOKOSA-N 1 1 280.412 3.040 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)c2ccc(C3CC3)cc2)C1 ZINC001194174006 811025915 /nfs/dbraw/zinc/02/59/15/811025915.db2.gz JUURPRGILNCPNO-GOSISDBHSA-N 1 1 298.430 3.286 20 30 CGEDMO CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CCC)CC(C)C)C1 ZINC001194368530 811060734 /nfs/dbraw/zinc/06/07/34/811060734.db2.gz SSIVTDWGMXQBJK-DLBZAZTESA-N 1 1 292.467 3.005 20 30 CGEDMO CC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CCC)CC(C)C)C1 ZINC001194368531 811060761 /nfs/dbraw/zinc/06/07/61/811060761.db2.gz SSIVTDWGMXQBJK-IAGOWNOFSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)CCCC)C2)CCCC1 ZINC001194566293 811092105 /nfs/dbraw/zinc/09/21/05/811092105.db2.gz DLPWFUYSLBGUMQ-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCCCC[N@H+]1CCCN(C(=O)C2CCC2)CC1 ZINC001194606668 811093617 /nfs/dbraw/zinc/09/36/17/811093617.db2.gz VEDQLZKMUDGOFY-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)c2ccc(C)o2)CC1 ZINC001194733491 811119320 /nfs/dbraw/zinc/11/93/20/811119320.db2.gz SAPDKTZXPITPFM-CQSZACIVSA-N 1 1 290.407 3.091 20 30 CGEDMO CCCCCCCCOC(=O)N[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC001194753965 811125380 /nfs/dbraw/zinc/12/53/80/811125380.db2.gz XNTPZCCAIJFHFA-HUUCEWRRSA-N 1 1 284.444 3.413 20 30 CGEDMO C=CCCC(=O)N1CCC[N@@H+](C/C=C/c2ccccc2)CC1 ZINC001195192378 811224344 /nfs/dbraw/zinc/22/43/44/811224344.db2.gz YBWZWNJWTCIMHH-YRNVUSSQSA-N 1 1 298.430 3.200 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)/C=C\C(C)(C)C)CC1 ZINC001195338355 811244582 /nfs/dbraw/zinc/24/45/82/811244582.db2.gz MMPOSARUDBMKHE-KTKRTIGZSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCC[N@@H+](C[C@H](F)CC)CC1 ZINC001195966765 811304769 /nfs/dbraw/zinc/30/47/69/811304769.db2.gz WIPBLQWQEBLPER-MRXNPFEDSA-N 1 1 296.430 3.037 20 30 CGEDMO C=CCC(CC=C)C(=O)N1CCC[N@H+](C[C@H](F)CC)CC1 ZINC001195966765 811304774 /nfs/dbraw/zinc/30/47/74/811304774.db2.gz WIPBLQWQEBLPER-MRXNPFEDSA-N 1 1 296.430 3.037 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](C[C@@H]2CCC(C)(C)CO2)C1 ZINC001195954875 811305775 /nfs/dbraw/zinc/30/57/75/811305775.db2.gz MKLQVABHEMQGRT-CABCVRRESA-N 1 1 251.414 3.480 20 30 CGEDMO C=CC[C@H](C(=O)OC)[N@H+]1CCC(C)(C)CC(C)(C)C1 ZINC001195995522 811310415 /nfs/dbraw/zinc/31/04/15/811310415.db2.gz RAOTXXOIWODIHL-CYBMUJFWSA-N 1 1 267.413 3.252 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)CC2(C)CC2)CC1 ZINC001196540064 811352508 /nfs/dbraw/zinc/35/25/08/811352508.db2.gz VTQFDRIBUAESMB-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)C2(C)CCCC2)CC1 ZINC001196681671 811357236 /nfs/dbraw/zinc/35/72/36/811357236.db2.gz YHQQPFPQYBWFGA-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C[N@@H+](C[C@@H]1CCCC12CCOCC2)[C@@H]1CCC[C@@H]1C#N ZINC001196834050 811373487 /nfs/dbraw/zinc/37/34/87/811373487.db2.gz WFQMPCZYCQJZIM-OWCLPIDISA-N 1 1 276.424 3.207 20 30 CGEDMO C=C[C@@H](C)[C@H](C)C(=O)N1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC001196855126 811374683 /nfs/dbraw/zinc/37/46/83/811374683.db2.gz YVVMERZECQLVAK-CVEARBPZSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCCC1(C(=O)N2CCC[N@H+](CCCC)CC2)CC1 ZINC001197062724 811394482 /nfs/dbraw/zinc/39/44/82/811394482.db2.gz WWHUKHYQBBVTMY-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)C[C@@H]1CCCC(C)(C)O1 ZINC001197115972 811400454 /nfs/dbraw/zinc/40/04/54/811400454.db2.gz OBDMMGDUYRDWEK-KRWDZBQOSA-N 1 1 286.419 3.380 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)CCCCCC(C)C)CC1 ZINC001197346330 811418343 /nfs/dbraw/zinc/41/83/43/811418343.db2.gz OCCQOWJTOWRSPB-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)[C@@H](C)[C@@H](C)C(C)(C)C)CC1 ZINC001197428741 811422808 /nfs/dbraw/zinc/42/28/08/811422808.db2.gz ZPRVCWTWBOJWSA-JKSUJKDBSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC001197600361 811434227 /nfs/dbraw/zinc/43/42/27/811434227.db2.gz COGBKKCKCOVXPH-WMLDXEAASA-N 1 1 294.439 3.141 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001197671874 811445038 /nfs/dbraw/zinc/44/50/38/811445038.db2.gz OACKHOQHVBMGAT-AWEZNQCLSA-N 1 1 282.428 3.284 20 30 CGEDMO C=CCC[N@H+]1CCCN(C(=O)CCCC2CCCC2)CC1 ZINC001198290635 811489449 /nfs/dbraw/zinc/48/94/49/811489449.db2.gz OETLHGYZOUDYHU-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C#C[C@@H]1CCCC[N@@H+]1Cc1ccc(C(=O)OC(C)C)cc1 ZINC001198524092 811511073 /nfs/dbraw/zinc/51/10/73/811511073.db2.gz CSKFYAIADUUWCG-QGZVFWFLSA-N 1 1 285.387 3.240 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(c2ccccc2OC)CC1 ZINC001198633287 811527306 /nfs/dbraw/zinc/52/73/06/811527306.db2.gz YKUJYQNFOACSOM-UHFFFAOYSA-N 1 1 274.408 3.174 20 30 CGEDMO Cc1cc(C#N)cc(C)c1CNC[C@H](C)[NH+]1CCCCC1 ZINC001199607993 811581069 /nfs/dbraw/zinc/58/10/69/811581069.db2.gz AGOPIUKKIOYOMO-INIZCTEOSA-N 1 1 285.435 3.139 20 30 CGEDMO C=CCO[C@H]1CO[C@]2(C1)CCC[N@H+](CC(CC)CC)C2 ZINC001201527707 811883856 /nfs/dbraw/zinc/88/38/56/811883856.db2.gz BQHWWBJYZBIBGO-SJORKVTESA-N 1 1 281.440 3.249 20 30 CGEDMO C=CCN1C(=O)CC[C@@]12CCC[N@H+](CC(CC)CC)CC2 ZINC001201526245 811884567 /nfs/dbraw/zinc/88/45/67/811884567.db2.gz UPXPZWOFSUJELC-GOSISDBHSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](C[C@H](C)CCC)C2 ZINC001201549834 811897469 /nfs/dbraw/zinc/89/74/69/811897469.db2.gz DJIGNMLKGLYFMH-IKGGRYGDSA-N 1 1 281.440 3.249 20 30 CGEDMO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](CCCCC)CCO2 ZINC001201735060 811951607 /nfs/dbraw/zinc/95/16/07/811951607.db2.gz NYXOULDMEOLMJD-IAGOWNOFSA-N 1 1 281.440 3.250 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@@](C)(C(=O)OC)C1 ZINC001201840320 811968946 /nfs/dbraw/zinc/96/89/46/811968946.db2.gz SZEZGTDZUFFEED-OAHLLOKOSA-N 1 1 255.402 3.232 20 30 CGEDMO CCCCCCCC[N@@H+]1C[C@H]2[C@H](C(=O)OCC)[C@H]2C1 ZINC001201839517 811969732 /nfs/dbraw/zinc/96/97/32/811969732.db2.gz GHHJNQQFINMNLQ-FICVDOATSA-N 1 1 267.413 3.088 20 30 CGEDMO CCCCCCCCC[N@@H+]1CC(=O)N2CCC[C@H]2C1 ZINC001201845959 811971404 /nfs/dbraw/zinc/97/14/04/811971404.db2.gz BDPSZHKJUIITIS-HNNXBMFYSA-N 1 1 266.429 3.044 20 30 CGEDMO CCCCCCCCC[N@H+]1CCC2(CN(C)C2)C1 ZINC001201852832 811972303 /nfs/dbraw/zinc/97/23/03/811972303.db2.gz NURJSAKKPWLSIR-UHFFFAOYSA-N 1 1 252.446 3.375 20 30 CGEDMO CCCCCCCCCC[N@@H+]1CCO[C@@H](C(C)=O)C1 ZINC001201875252 811973682 /nfs/dbraw/zinc/97/36/82/811973682.db2.gz SIWACKAARFTBGY-MRXNPFEDSA-N 1 1 269.429 3.417 20 30 CGEDMO CCCCCCCCCC[N@H+]1CCO[C@@H](C(C)=O)C1 ZINC001201875252 811973690 /nfs/dbraw/zinc/97/36/90/811973690.db2.gz SIWACKAARFTBGY-MRXNPFEDSA-N 1 1 269.429 3.417 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@@H+](CC1CCCC1)CC2 ZINC001202159513 812025868 /nfs/dbraw/zinc/02/58/68/812025868.db2.gz DAOUXWIUDQIUDP-SFHVURJKSA-N 1 1 290.451 3.210 20 30 CGEDMO N#Cc1ccc(/C=C/n2c[nH+]c3cccc(N)c32)cc1 ZINC001203302542 812302878 /nfs/dbraw/zinc/30/28/78/812302878.db2.gz UCBRJVVWMIKFCT-CMDGGOBGSA-N 1 1 260.300 3.118 20 30 CGEDMO COc1ccc2c(Nc3oc(C)nc3C#N)cc[nH+]c2c1 ZINC001203523566 812381903 /nfs/dbraw/zinc/38/19/03/812381903.db2.gz RXPGGLTUIWMWPB-UHFFFAOYSA-N 1 1 280.287 3.155 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCOC[C@H]2C2CCCCC2)c1 ZINC001203763735 812458100 /nfs/dbraw/zinc/45/81/00/812458100.db2.gz IGAISXNBLWBXNT-SFHVURJKSA-N 1 1 284.403 3.339 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)CCC1(F)F ZINC001203900285 812486748 /nfs/dbraw/zinc/48/67/48/812486748.db2.gz YCLYJQUMECPLFE-LBPRGKRZSA-N 1 1 264.319 3.425 20 30 CGEDMO Cc1ccn2cc(C[N@@H+](C)Cc3ccc(C#N)cc3)nc2c1 ZINC001203906938 812487889 /nfs/dbraw/zinc/48/78/89/812487889.db2.gz GRVHVSQUSWLMPI-UHFFFAOYSA-N 1 1 290.370 3.146 20 30 CGEDMO Cc1ccn2cc(C[N@H+](C)Cc3ccc(C#N)cc3)nc2c1 ZINC001203906938 812487894 /nfs/dbraw/zinc/48/78/94/812487894.db2.gz GRVHVSQUSWLMPI-UHFFFAOYSA-N 1 1 290.370 3.146 20 30 CGEDMO COc1ccc(C[N@H+]2CCc3cc(C#N)ccc3C2)cc1 ZINC001203954321 812500773 /nfs/dbraw/zinc/50/07/73/812500773.db2.gz DERMUFBDFVYMKG-UHFFFAOYSA-N 1 1 278.355 3.125 20 30 CGEDMO C#CC[NH+](CC#C)Cc1ccc(OCc2ccccc2)cc1 ZINC001203963305 812502260 /nfs/dbraw/zinc/50/22/60/812502260.db2.gz DZMNWCKWBZRBJA-UHFFFAOYSA-N 1 1 289.378 3.334 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](OCCC)C2)cc1 ZINC001204300301 812604460 /nfs/dbraw/zinc/60/44/60/812604460.db2.gz OSRBPVDTFYXINC-KRWDZBQOSA-N 1 1 275.392 3.252 20 30 CGEDMO C[NH+]1CCC(C2CCN(Cc3ccccc3C#N)CC2)CC1 ZINC001204370176 812622470 /nfs/dbraw/zinc/62/24/70/812622470.db2.gz RSRHPAUDENOMFB-UHFFFAOYSA-N 1 1 297.446 3.112 20 30 CGEDMO Fc1ccc(C[NH+]2CCC(S)CC2)c(Cl)c1 ZINC001204436794 812638102 /nfs/dbraw/zinc/63/81/02/812638102.db2.gz OXDVWBNPZYCSSN-UHFFFAOYSA-N 1 1 259.777 3.373 20 30 CGEDMO N#CCC[N@H+](Cc1ccc(Cl)cc1O)CC1CC1 ZINC001204496292 812656303 /nfs/dbraw/zinc/65/63/03/812656303.db2.gz FGJMILMIGGNBHL-UHFFFAOYSA-N 1 1 264.756 3.171 20 30 CGEDMO N#Cc1cccc(C2CC[NH+](Cc3nccs3)CC2)c1 ZINC001204546690 812673586 /nfs/dbraw/zinc/67/35/86/812673586.db2.gz OAMCMWMQHVYLFL-UHFFFAOYSA-N 1 1 283.400 3.394 20 30 CGEDMO C#CC[N@H+](Cc1ccc2c(c1)OCCCCO2)CC1CC1 ZINC001204640441 812699468 /nfs/dbraw/zinc/69/94/68/812699468.db2.gz KSKOMDVSMPGYIG-UHFFFAOYSA-N 1 1 285.387 3.083 20 30 CGEDMO C=CCC[C@H]([NH2+][C@H]1CCCC[C@@H]1C)C(=O)OCC ZINC001205848839 813107114 /nfs/dbraw/zinc/10/71/14/813107114.db2.gz HUTGPYSNSRVCID-IHRRRGAJSA-N 1 1 253.386 3.053 20 30 CGEDMO C[N@H+]1CCc2c(C#N)c(Nc3ccccc3O)sc2C1 ZINC001206193194 813235174 /nfs/dbraw/zinc/23/51/74/813235174.db2.gz HVMBISYHUPFRJG-UHFFFAOYSA-N 1 1 285.372 3.057 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)/C(C)=C/CC)C1 ZINC001206350114 813299875 /nfs/dbraw/zinc/29/98/75/813299875.db2.gz IYHJCJUWUCXQNE-KDUGFSLASA-N 1 1 278.440 3.134 20 30 CGEDMO Cc1csc(Nc2c[nH+]c(N(C)C)cc2C)c1C#N ZINC001206715066 813405577 /nfs/dbraw/zinc/40/55/77/813405577.db2.gz VHHKCELEKXZNEL-UHFFFAOYSA-N 1 1 272.377 3.441 20 30 CGEDMO C=C(C)CO[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC001206736038 813412896 /nfs/dbraw/zinc/41/28/96/813412896.db2.gz LMQJHVOSUIJKST-DOTOQJQBSA-N 1 1 259.393 3.490 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1Nc1cc(F)c(C#N)cc1F ZINC001206737623 813413928 /nfs/dbraw/zinc/41/39/28/813413928.db2.gz RUVMDMHLWPAEKO-UHFFFAOYSA-N 1 1 288.301 3.350 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1Nc1c(F)cc(F)cc1C#N ZINC001206748122 813419107 /nfs/dbraw/zinc/41/91/07/813419107.db2.gz AHQCIWBSYVPXDG-UHFFFAOYSA-N 1 1 288.301 3.350 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC2(C)C)C1 ZINC001206877478 813457572 /nfs/dbraw/zinc/45/75/72/813457572.db2.gz MBUVUKWHMPHSBU-BZUAXINKSA-N 1 1 294.483 3.439 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)cs2)C1 ZINC001206932676 813458797 /nfs/dbraw/zinc/45/87/97/813458797.db2.gz NNPYZRYPCIGGLQ-ZIAGYGMSSA-N 1 1 292.448 3.073 20 30 CGEDMO Fc1cccc(OC(F)F)c1C[NH+]1CCC(S)CC1 ZINC001207119086 813488628 /nfs/dbraw/zinc/48/86/28/813488628.db2.gz ZBGZTSCBWCVEIE-UHFFFAOYSA-N 1 1 291.338 3.321 20 30 CGEDMO C=CCN(CC[N@H+](C)[C@H](C)CC)C(=O)OC(C)(C)C ZINC001207201984 813515950 /nfs/dbraw/zinc/51/59/50/813515950.db2.gz IHSQOGZMKYOZFF-CYBMUJFWSA-N 1 1 270.417 3.140 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1C[N@@H+](CC(CC)CC)C[C@H]1C ZINC001207215878 813516922 /nfs/dbraw/zinc/51/69/22/813516922.db2.gz SAUHHOLCPIXDGC-GDBMZVCRSA-N 1 1 280.456 3.215 20 30 CGEDMO COC1(C[N@@H+](C)CCc2cccc(C#N)c2)CCCCC1 ZINC001207218510 813517041 /nfs/dbraw/zinc/51/70/41/813517041.db2.gz NMMQMSVRXBYLFX-UHFFFAOYSA-N 1 1 286.419 3.382 20 30 CGEDMO C[C@H](C[NH+]1CC(Oc2ccccc2C#N)C1)c1ccccc1 ZINC001207914490 813671584 /nfs/dbraw/zinc/67/15/84/813671584.db2.gz VRMNIIQCPWENDR-OAHLLOKOSA-N 1 1 292.382 3.425 20 30 CGEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](CC)CCCC)C1 ZINC001208032948 813685789 /nfs/dbraw/zinc/68/57/89/813685789.db2.gz BVXHVPXTXGCAFJ-BRWVUGGUSA-N 1 1 292.467 3.053 20 30 CGEDMO CCCCCCC/C=C/C[N@H+]1CC[C@H](NC(C)=O)C1 ZINC001208122878 813698549 /nfs/dbraw/zinc/69/85/49/813698549.db2.gz BBBPRYWMGAFHTQ-SCOAYWHSSA-N 1 1 266.429 3.114 20 30 CGEDMO CCCCCCC/C=C/C[N@@H+]1CCc2nncn2CC1 ZINC001208121251 813698637 /nfs/dbraw/zinc/69/86/37/813698637.db2.gz ZZNCUODEKURPMJ-CMDGGOBGSA-N 1 1 276.428 3.053 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@H]3OCC[C@H]3C2)CC1 ZINC001208178574 813729080 /nfs/dbraw/zinc/72/90/80/813729080.db2.gz RTYDBKINXYASKP-IXDOHACOSA-N 1 1 261.409 3.400 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@H](Oc3ncccn3)C2)CC1 ZINC001208179177 813730918 /nfs/dbraw/zinc/73/09/18/813730918.db2.gz PYEUNHFZIILHFL-SJORKVTESA-N 1 1 299.418 3.232 20 30 CGEDMO C=C(C)[C@@H]1CC=C(CN2CC[N@H+](CC)C[C@H]2C)CC1 ZINC001208179206 813731114 /nfs/dbraw/zinc/73/11/14/813731114.db2.gz RONYICHCYKBHKE-NVXWUHKLSA-N 1 1 262.441 3.315 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCN(CC)C[C@H]2C)CC1 ZINC001208179206 813731116 /nfs/dbraw/zinc/73/11/16/813731116.db2.gz RONYICHCYKBHKE-NVXWUHKLSA-N 1 1 262.441 3.315 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCN(CC)C[C@H]2C)CC1 ZINC001208179206 813731117 /nfs/dbraw/zinc/73/11/17/813731117.db2.gz RONYICHCYKBHKE-NVXWUHKLSA-N 1 1 262.441 3.315 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CCC(C)(C)C)C[C@H]1C ZINC001208294578 813752945 /nfs/dbraw/zinc/75/29/45/813752945.db2.gz KFKJXWPHGWGLRI-HUUCEWRRSA-N 1 1 294.483 3.461 20 30 CGEDMO C#CCCCCCC(=O)N[C@@H]1C[N@@H+](CCCCC)C[C@H]1C ZINC001208321553 813754956 /nfs/dbraw/zinc/75/49/56/813754956.db2.gz YKGRZZZCAADNPZ-IAGOWNOFSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C/C=C(\C)C=C)C1 ZINC001208354084 813757079 /nfs/dbraw/zinc/75/70/79/813757079.db2.gz UZAAPOHTLXFNKT-LWNWWNNPSA-N 1 1 290.451 3.300 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(CC)CCC2)C1 ZINC001208379428 813757940 /nfs/dbraw/zinc/75/79/40/813757940.db2.gz BVXJFTBSPMCFPT-BZUAXINKSA-N 1 1 292.467 3.358 20 30 CGEDMO N#C[C@H]1CCCCN1C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC001208587881 813769937 /nfs/dbraw/zinc/76/99/37/813769937.db2.gz BABNQGDQZKYHFH-RTBURBONSA-N 1 1 297.446 3.419 20 30 CGEDMO CCCCCCC[N@@H+](C)CC1CCN(C(C)=O)CC1 ZINC001208676751 813793477 /nfs/dbraw/zinc/79/34/77/813793477.db2.gz JMIJYPJPAOOIGE-UHFFFAOYSA-N 1 1 268.445 3.147 20 30 CGEDMO C[N@@H+](CCC#N)CCCc1cccc(Br)c1 ZINC001208820868 813857841 /nfs/dbraw/zinc/85/78/41/813857841.db2.gz TZFYWBOSUWRKGW-UHFFFAOYSA-N 1 1 281.197 3.227 20 30 CGEDMO C[N@H+](CCC#N)CCCc1cccc(Br)c1 ZINC001208820868 813857849 /nfs/dbraw/zinc/85/78/49/813857849.db2.gz TZFYWBOSUWRKGW-UHFFFAOYSA-N 1 1 281.197 3.227 20 30 CGEDMO C[N@@H+](CCCc1cccc(C#N)c1)Cc1ccccc1O ZINC001208851312 813866824 /nfs/dbraw/zinc/86/68/24/813866824.db2.gz WESNTAZJSUWRQK-UHFFFAOYSA-N 1 1 280.371 3.328 20 30 CGEDMO N#Cc1cccc(CCC[N@@H+]2CCC[C@H](C#N)CC2)c1 ZINC001208853353 813867248 /nfs/dbraw/zinc/86/72/48/813867248.db2.gz IUSNRRFUPYNJRW-INIZCTEOSA-N 1 1 267.376 3.117 20 30 CGEDMO N#Cc1ccc(CCC[N@H+]2CCc3occc3C2)cc1 ZINC001208862715 813871294 /nfs/dbraw/zinc/87/12/94/813871294.db2.gz OOCYFGSESOXVIR-UHFFFAOYSA-N 1 1 266.344 3.142 20 30 CGEDMO C[C@@]1(F)CCCC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC001208920691 813899665 /nfs/dbraw/zinc/89/96/65/813899665.db2.gz MQWBKARMURUMKC-MRXNPFEDSA-N 1 1 260.356 3.315 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CC[C@H]3CCC[C@H]3C2)cc1 ZINC001208925626 813902320 /nfs/dbraw/zinc/90/23/20/813902320.db2.gz JUUJJYSPFXCTCB-SJORKVTESA-N 1 1 254.377 3.223 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H]2COC[C@]2(COCC2CCCC2)C1 ZINC001209161141 813952482 /nfs/dbraw/zinc/95/24/82/813952482.db2.gz HSWKILQEXKVDSA-QZTJIDSGSA-N 1 1 293.451 3.108 20 30 CGEDMO C=CCCC[N@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C1 ZINC001209163184 813953352 /nfs/dbraw/zinc/95/33/52/813953352.db2.gz VIUGSXQRCVPXNR-CABCVRRESA-N 1 1 294.439 3.141 20 30 CGEDMO C=CCCCC[N@@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]21 ZINC001209199876 813963017 /nfs/dbraw/zinc/96/30/17/813963017.db2.gz COPNMPNSJWUYLN-LSDHHAIUSA-N 1 1 294.439 3.284 20 30 CGEDMO C=CCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001209200417 813964558 /nfs/dbraw/zinc/96/45/58/813964558.db2.gz HXQLNCDVWYOEPK-QKDCVEJESA-N 1 1 294.439 3.045 20 30 CGEDMO C=CCCCC[N@H+]1CC[C@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001209201473 813965295 /nfs/dbraw/zinc/96/52/95/813965295.db2.gz MWUOMZXRIHBIAU-RYUDHWBXSA-N 1 1 283.309 3.070 20 30 CGEDMO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)CCCCC)C1 ZINC001209207500 813968204 /nfs/dbraw/zinc/96/82/04/813968204.db2.gz BEHRSHBHRJCGGG-GVDBMIGSSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCCC[N@H+]1CCN2CCc3ccccc3[C@H]2C1 ZINC001209207075 813968344 /nfs/dbraw/zinc/96/83/44/813968344.db2.gz KJTRLKVHSIFBOZ-GOSISDBHSA-N 1 1 270.420 3.258 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@@H](c2nc(CC)no2)C1 ZINC001209207122 813968773 /nfs/dbraw/zinc/96/87/73/813968773.db2.gz MPRIDAFTZZZUDJ-CYBMUJFWSA-N 1 1 263.385 3.168 20 30 CGEDMO N#C[C@H]1CCC[N@H+](CCc2cc(F)c(F)cc2F)CC1 ZINC001209252245 813981341 /nfs/dbraw/zinc/98/13/41/813981341.db2.gz JKVSJWWJUADPLY-NSHDSACASA-N 1 1 282.309 3.272 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](CCCCOCc2ccccc2)C1 ZINC001209264789 813988107 /nfs/dbraw/zinc/98/81/07/813988107.db2.gz CTRJODXULJGBPK-KRWDZBQOSA-N 1 1 271.404 3.329 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)OC(C)(C)C ZINC001209422707 814024865 /nfs/dbraw/zinc/02/48/65/814024865.db2.gz GLMMABFEPSOIHA-FICVDOATSA-N 1 1 294.439 3.188 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](C(=O)N(CC)CC)C1 ZINC001209429220 814030282 /nfs/dbraw/zinc/03/02/82/814030282.db2.gz VULPWPZYGGAACV-INIZCTEOSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](CC(=O)OC)C1 ZINC001209428978 814030478 /nfs/dbraw/zinc/03/04/78/814030478.db2.gz QJMQWBHNHBQQGC-CQSZACIVSA-N 1 1 253.386 3.008 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](Oc2cccc(OC)n2)C1 ZINC001209432313 814033163 /nfs/dbraw/zinc/03/31/63/814033163.db2.gz CINAAJKVKYCENH-OAHLLOKOSA-N 1 1 290.407 3.290 20 30 CGEDMO C=CCCCCCCC[N@@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC001209442383 814043498 /nfs/dbraw/zinc/04/34/98/814043498.db2.gz QYLGVXZMRXJVJG-IYBDPMFKSA-N 1 1 250.430 3.006 20 30 CGEDMO C=CCCCCCCC[N@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC001209442383 814043507 /nfs/dbraw/zinc/04/35/07/814043507.db2.gz QYLGVXZMRXJVJG-IYBDPMFKSA-N 1 1 250.430 3.006 20 30 CGEDMO C#CC[NH+](CC#C)Cc1ccc(-n2c(C)ccc2C)cc1 ZINC001209520097 814073566 /nfs/dbraw/zinc/07/35/66/814073566.db2.gz MSVZNNHYEPJCFZ-UHFFFAOYSA-N 1 1 276.383 3.163 20 30 CGEDMO C=CC[N@H+](Cc1ccnc(OC)c1)C1CCCCC1 ZINC001209645267 814105249 /nfs/dbraw/zinc/10/52/49/814105249.db2.gz WBYNMWYHWDPODC-UHFFFAOYSA-N 1 1 260.381 3.411 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)Cc1cnccc1N ZINC001209734141 814123684 /nfs/dbraw/zinc/12/36/84/814123684.db2.gz LSLXORXSZFHBLP-UHFFFAOYSA-N 1 1 267.376 3.072 20 30 CGEDMO CC(C)(C)n1ncc(C#N)c1Nc1ccc2[nH]c[nH+]c2c1 ZINC001209841024 814160003 /nfs/dbraw/zinc/16/00/03/814160003.db2.gz BDBIHOCGJXWQRC-UHFFFAOYSA-N 1 1 280.335 3.130 20 30 CGEDMO Cc1[nH+]ccn1-c1ccc(Nc2cncc(C#N)c2)cc1 ZINC001210086217 814281302 /nfs/dbraw/zinc/28/13/02/814281302.db2.gz XAPAUCNZSUSEEC-UHFFFAOYSA-N 1 1 275.315 3.191 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)CC(C)C)C1 ZINC001210213920 814344491 /nfs/dbraw/zinc/34/44/91/814344491.db2.gz QYZCXZGSSCXVFZ-ARFHVFGLSA-N 1 1 280.456 3.071 20 30 CGEDMO CCCCCCCCCC[N@H+]1CCNC[C@@H](F)C1 ZINC001210581211 814540581 /nfs/dbraw/zinc/54/05/81/814540581.db2.gz PSSZHNPURADXIQ-OAHLLOKOSA-N 1 1 258.425 3.370 20 30 CGEDMO CCCCCCCCCC[N@@H+]1CCNC[C@@H](F)C1 ZINC001210581211 814540575 /nfs/dbraw/zinc/54/05/75/814540575.db2.gz PSSZHNPURADXIQ-OAHLLOKOSA-N 1 1 258.425 3.370 20 30 CGEDMO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)CCCCC)C1 ZINC001211217700 814853444 /nfs/dbraw/zinc/85/34/44/814853444.db2.gz FFSJWJYRURWLKG-IXDOHACOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC001211297379 814873782 /nfs/dbraw/zinc/87/37/82/814873782.db2.gz OYQBHQQSXTTXPZ-HNNXBMFYSA-N 1 1 295.471 3.010 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CCCC)C(C)C)C1 ZINC001211389222 814888318 /nfs/dbraw/zinc/88/83/18/814888318.db2.gz NOZYJIXYOCQPJF-BRWVUGGUSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC2CCCC2)C1 ZINC001211393529 814889205 /nfs/dbraw/zinc/88/92/05/814889205.db2.gz XCJPSPFKROWNQY-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1OCCCC[C@@H]([NH3+])C(=O)OC ZINC001217898786 815995982 /nfs/dbraw/zinc/99/59/82/815995982.db2.gz XSUFJNUKYIKNHC-JONQDZQNSA-N 1 1 297.439 3.055 20 30 CGEDMO C#C[C@H](Oc1ccc(C(=O)C[NH3+])cc1)[C@@H](CC)CCCC ZINC001218292204 816155087 /nfs/dbraw/zinc/15/50/87/816155087.db2.gz PAGSCFVWGXNNDH-KSSFIOAISA-N 1 1 287.403 3.425 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCC3CC3)[C@@H]2C1 ZINC001221453039 816314555 /nfs/dbraw/zinc/31/45/55/816314555.db2.gz OPVDUJKBPGTGOT-USXIJHARSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C=C(CC)CC)[C@@H]2C1 ZINC001221481843 816316977 /nfs/dbraw/zinc/31/69/77/816316977.db2.gz KSLOKYJSZRWHHC-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C/C=C(/C)C=C)[C@@H]2C1 ZINC001221748535 816324769 /nfs/dbraw/zinc/32/47/69/816324769.db2.gz YQVBKNIAPIJOMO-SPMFNHFHSA-N 1 1 288.435 3.008 20 30 CGEDMO C=C/C(C)=C/CC(=O)N1C[C@H]2CC[N@H+](CCC(=C)C)C[C@H]21 ZINC001221748423 816325404 /nfs/dbraw/zinc/32/54/04/816325404.db2.gz WLBWUBLQYCCCOY-LWNNDPPBSA-N 1 1 288.435 3.008 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)CC(C)(C)C)[C@@H]2C1 ZINC001221853265 816331435 /nfs/dbraw/zinc/33/14/35/816331435.db2.gz CWMYKXSAEMGIRD-BZUAXINKSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@@H](C)CC)[C@@H]2C1 ZINC001221889973 816333105 /nfs/dbraw/zinc/33/31/05/816333105.db2.gz XAMHVHZUJKKMKW-GVDBMIGSSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]2CC[N@@H+](CC3CCCC3)[C@H]2C1 ZINC001222398184 816432332 /nfs/dbraw/zinc/43/23/32/816432332.db2.gz RFXGGKNZBAPVOW-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCCC[N@@H+]1C[C@@H](c2ccccc2)C2(CNC2)C1 ZINC001222595535 816474998 /nfs/dbraw/zinc/47/49/98/816474998.db2.gz CDQRFTLFHWROJG-KRWDZBQOSA-N 1 1 270.420 3.032 20 30 CGEDMO C=CCCCC[N@H+]1C[C@@H](c2ccccc2)C2(CNC2)C1 ZINC001222595535 816475002 /nfs/dbraw/zinc/47/50/02/816475002.db2.gz CDQRFTLFHWROJG-KRWDZBQOSA-N 1 1 270.420 3.032 20 30 CGEDMO Cc1[nH+]ccn1-c1ccc(-c2c(C)cc(C#N)cc2C)nn1 ZINC001222642381 816488822 /nfs/dbraw/zinc/48/88/22/816488822.db2.gz DECQGODVOOBPOY-UHFFFAOYSA-N 1 1 289.342 3.126 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)CCC(=C)C)C[C@@H]21 ZINC001222789533 816518270 /nfs/dbraw/zinc/51/82/70/816518270.db2.gz NIFJDGDIKFMOLY-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO CC(C)(C#N)c1ccc(CO[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC001223155601 816579171 /nfs/dbraw/zinc/57/91/71/816579171.db2.gz AGBTYDKWAIGRBP-MRXNPFEDSA-N 1 1 295.386 3.216 20 30 CGEDMO C=CCCCO[C@H]1CCCN(c2ccc(C)c[nH+]2)C1 ZINC001224510801 816816687 /nfs/dbraw/zinc/81/66/87/816816687.db2.gz DQLGPRDYFBTGCP-HNNXBMFYSA-N 1 1 260.381 3.342 20 30 CGEDMO CC[C@@H](C#Cc1ccccc1)OC[C@@H]1CCCC[N@H+]1C ZINC001224708030 816861336 /nfs/dbraw/zinc/86/13/36/816861336.db2.gz WEXRWCSLFLEPPM-ROUUACIJSA-N 1 1 271.404 3.318 20 30 CGEDMO C#C[C@@H](OC[C@@H]1CCC[N@H+]1C)[C@H](CC)CCCC ZINC001224817244 816890164 /nfs/dbraw/zinc/89/01/64/816890164.db2.gz KDJPNYKMKSGVEC-OWCLPIDISA-N 1 1 251.414 3.315 20 30 CGEDMO C#CC[C@@H](C)OC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001224826386 816891063 /nfs/dbraw/zinc/89/10/63/816891063.db2.gz PIMHXSAVGMJJGM-SJLPKXTDSA-N 1 1 271.404 3.327 20 30 CGEDMO C=C(C)[C@@H]1CC[C@@H](C)C[C@H]1OCCC[NH+]1CCOCC1 ZINC001224866936 816898906 /nfs/dbraw/zinc/89/89/06/816898906.db2.gz JTGYWIINTJUEQD-IXDOHACOSA-N 1 1 281.440 3.106 20 30 CGEDMO Cc1ccc(N2CCC(Oc3cccc(C#N)c3)CC2)[nH+]c1 ZINC001225225939 816969272 /nfs/dbraw/zinc/96/92/72/816969272.db2.gz YXMIMGSHQQMOJQ-UHFFFAOYSA-N 1 1 293.370 3.310 20 30 CGEDMO CC[C@@H](C#Cc1ccccc1)Oc1cccnc1C[NH+](C)C ZINC001225281454 816993500 /nfs/dbraw/zinc/99/35/00/816993500.db2.gz DEVAEILWZFNHSC-KRWDZBQOSA-N 1 1 294.398 3.352 20 30 CGEDMO C[N@H+]1CCC[C@@H](Oc2cc(Cl)cc(C#N)c2)CC1 ZINC001225698389 817146799 /nfs/dbraw/zinc/14/67/99/817146799.db2.gz UEMICFBABGDCLP-CYBMUJFWSA-N 1 1 264.756 3.075 20 30 CGEDMO Cc1cc(C#N)cc(C)c1O[C@@H]1[C@@H]2CCC[C@H]1C[N@H+](C)C2 ZINC001226528557 817388667 /nfs/dbraw/zinc/38/86/67/817388667.db2.gz XTLFJRDVLRKTCT-ALXJQNPVSA-N 1 1 284.403 3.284 20 30 CGEDMO Cc1cc(C#N)cc(Cl)c1OC1CC[NH+](CCF)CC1 ZINC001226594706 817408084 /nfs/dbraw/zinc/40/80/84/817408084.db2.gz BZJKOOCPWFZEAS-UHFFFAOYSA-N 1 1 296.773 3.333 20 30 CGEDMO Cc1cc(C#N)cc(Cl)c1O[C@H]1CCc2[nH+]ccn2C1 ZINC001226594734 817408370 /nfs/dbraw/zinc/40/83/70/817408370.db2.gz CYYZLJDZRICXEP-LBPRGKRZSA-N 1 1 287.750 3.110 20 30 CGEDMO C[N@H+]1CCC[C@H](Oc2cccc(Cl)c2C#N)CC1 ZINC001227788797 817721114 /nfs/dbraw/zinc/72/11/14/817721114.db2.gz GUKMTUGWUCHXJM-NSHDSACASA-N 1 1 264.756 3.075 20 30 CGEDMO C=CCCCCCCNC(=O)N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001228040690 817793677 /nfs/dbraw/zinc/79/36/77/817793677.db2.gz MAKNVCMDOUDUDN-HOTGVXAUSA-N 1 1 295.471 3.247 20 30 CGEDMO C=CCc1ccccc1OC1CC[NH+](CCF)CC1 ZINC001228844401 818019976 /nfs/dbraw/zinc/01/99/76/818019976.db2.gz NVMWDVKNYYRKFW-UHFFFAOYSA-N 1 1 263.356 3.228 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCNC(=O)CCC1CCCC1 ZINC001231395056 818091427 /nfs/dbraw/zinc/09/14/27/818091427.db2.gz LDJISGJVSOEZHE-UHFFFAOYSA-N 1 1 286.847 3.147 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCNC(=O)CCC1CCCC1 ZINC001231395056 818091428 /nfs/dbraw/zinc/09/14/28/818091428.db2.gz LDJISGJVSOEZHE-UHFFFAOYSA-N 1 1 286.847 3.147 20 30 CGEDMO CCc1ccc(C[N@@H+]2CC[C@H]3SC(=O)C=C3C2)s1 ZINC001231500510 818113740 /nfs/dbraw/zinc/11/37/40/818113740.db2.gz UZWXJVYDBYAQNQ-CYBMUJFWSA-N 1 1 279.430 3.085 20 30 CGEDMO CCc1ccc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)s1 ZINC001231500510 818113745 /nfs/dbraw/zinc/11/37/45/818113745.db2.gz UZWXJVYDBYAQNQ-CYBMUJFWSA-N 1 1 279.430 3.085 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCOC[C@H]2C(C)C)c1 ZINC001231625250 818140424 /nfs/dbraw/zinc/14/04/24/818140424.db2.gz QMNLOUDQVYPESU-KRWDZBQOSA-N 1 1 275.392 3.108 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCCC[C@@H]2C(C)=O)c1 ZINC001231625215 818140549 /nfs/dbraw/zinc/14/05/49/818140549.db2.gz PUCHNJLIRUCWDK-QGZVFWFLSA-N 1 1 273.376 3.195 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CCCC[C@@H]2C(C)=O)c1 ZINC001231625215 818140556 /nfs/dbraw/zinc/14/05/56/818140556.db2.gz PUCHNJLIRUCWDK-QGZVFWFLSA-N 1 1 273.376 3.195 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CC[C@@H](c3ccccn3)C2)c1 ZINC001231659714 818151652 /nfs/dbraw/zinc/15/16/52/818151652.db2.gz RQKQWKXGOOASGZ-QGZVFWFLSA-N 1 1 262.356 3.052 20 30 CGEDMO COc1cccc2c(C[N@H+]3CCC[C@@H](C#N)CC3)c[nH]c21 ZINC001231900027 818207385 /nfs/dbraw/zinc/20/73/85/818207385.db2.gz BYSBBWZODZHHQJ-CYBMUJFWSA-N 1 1 283.375 3.302 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC001232116038 818260303 /nfs/dbraw/zinc/26/03/03/818260303.db2.gz IUMVPGKHOCKAJB-FZMZJTMJSA-N 1 1 278.783 3.211 20 30 CGEDMO CCOc1ccc(C[N@H+](CCC#N)C2CCCC2)c(C)n1 ZINC001232310933 818311579 /nfs/dbraw/zinc/31/15/79/818311579.db2.gz CPWJCZKGKDFNPG-UHFFFAOYSA-N 1 1 287.407 3.447 20 30 CGEDMO CCOc1ccc(C[N@@H+](CCC#N)C2CCCC2)c(C)n1 ZINC001232310933 818311584 /nfs/dbraw/zinc/31/15/84/818311584.db2.gz CPWJCZKGKDFNPG-UHFFFAOYSA-N 1 1 287.407 3.447 20 30 CGEDMO C=CC[NH+]1CCN(Cc2cccc(C)c2OC(C)C)CC1 ZINC001232392633 818335051 /nfs/dbraw/zinc/33/50/51/818335051.db2.gz WZUKYUOVKCYXHK-UHFFFAOYSA-N 1 1 288.435 3.086 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cccc(Br)c1N ZINC001232527313 818379637 /nfs/dbraw/zinc/37/96/37/818379637.db2.gz XWYZASSYSYJZMM-UHFFFAOYSA-N 1 1 283.213 3.429 20 30 CGEDMO C[C@H]1C[C@H]2C[N@H+](Cc3ccc(Cl)cc3C#N)CC[C@H]2O1 ZINC001232606667 818393908 /nfs/dbraw/zinc/39/39/08/818393908.db2.gz WACZOKFZXQRFMU-HZUKXOBISA-N 1 1 290.794 3.211 20 30 CGEDMO C[C@H]1C[C@H]2C[N@@H+](Cc3ccc(Cl)cc3C#N)CC[C@H]2O1 ZINC001232606667 818393915 /nfs/dbraw/zinc/39/39/15/818393915.db2.gz WACZOKFZXQRFMU-HZUKXOBISA-N 1 1 290.794 3.211 20 30 CGEDMO C=CC[NH+]1CCN(Cc2ccc3ccsc3c2)CC1 ZINC001232612735 818398714 /nfs/dbraw/zinc/39/87/14/818398714.db2.gz NJPHONBQIIQVJI-UHFFFAOYSA-N 1 1 272.417 3.205 20 30 CGEDMO N#Cc1cc[nH]c1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC001233044603 818507797 /nfs/dbraw/zinc/50/77/97/818507797.db2.gz VKKPMURXZDMRQU-UHFFFAOYSA-N 1 1 279.387 3.341 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+](C)Cc1cnc2ccccn12 ZINC001233080351 818520042 /nfs/dbraw/zinc/52/00/42/818520042.db2.gz KTISLWKKSBHUBG-UHFFFAOYSA-N 1 1 290.370 3.146 20 30 CGEDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C#N)CC2)c1O ZINC001233290205 818569163 /nfs/dbraw/zinc/56/91/63/818569163.db2.gz OONHCXYRPVNWOV-LLVKDONJSA-N 1 1 294.782 3.180 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)C1CC1 ZINC001233531450 818634719 /nfs/dbraw/zinc/63/47/19/818634719.db2.gz ZFVBWYLMBZGAEQ-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCc1ccc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC001233591771 818652105 /nfs/dbraw/zinc/65/21/05/818652105.db2.gz BECOABBQQKQCMS-SCAQPMJSSA-N 1 1 257.377 3.419 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C=C(CC)CC ZINC001233651812 818669835 /nfs/dbraw/zinc/66/98/35/818669835.db2.gz CXJRHJYRPVJCIQ-MRXNPFEDSA-N 1 1 278.440 3.232 20 30 CGEDMO CC(C)[NH+]1CC(Oc2cc(C#N)cc(C(F)(F)F)c2)C1 ZINC001233659892 818672061 /nfs/dbraw/zinc/67/20/61/818672061.db2.gz YWHOYEMWMFYFGJ-UHFFFAOYSA-N 1 1 284.281 3.048 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H](Oc2ccc(Cl)c(C#N)c2)C1 ZINC001233923746 818731713 /nfs/dbraw/zinc/73/17/13/818731713.db2.gz KSWJSJIQOKXMOJ-CQSZACIVSA-N 1 1 278.783 3.463 20 30 CGEDMO C[N@@H+]1CCC[C@H](Oc2c(C#N)ccc(Cl)c2Cl)C1 ZINC001234426042 818853222 /nfs/dbraw/zinc/85/32/22/818853222.db2.gz YIOFUYOZLRBUNZ-JTQLQIEISA-N 1 1 285.174 3.338 20 30 CGEDMO C[N@H+]1CCC[C@H](Oc2c(C#N)ccc(Cl)c2Cl)C1 ZINC001234426042 818853229 /nfs/dbraw/zinc/85/32/29/818853229.db2.gz YIOFUYOZLRBUNZ-JTQLQIEISA-N 1 1 285.174 3.338 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)C(=C)Cl ZINC001234555567 818880549 /nfs/dbraw/zinc/88/05/49/818880549.db2.gz WUBGYSFKNIICTK-CQSZACIVSA-N 1 1 298.858 3.264 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)C(=C)Cl ZINC001234555566 818881502 /nfs/dbraw/zinc/88/15/02/818881502.db2.gz WUBGYSFKNIICTK-AWEZNQCLSA-N 1 1 298.858 3.264 20 30 CGEDMO C=CCCC(=O)NCCC[N@@H+](C)CCCCC(F)(F)F ZINC001235451237 819102694 /nfs/dbraw/zinc/10/26/94/819102694.db2.gz FILLZZZVPXDLRU-UHFFFAOYSA-N 1 1 294.361 3.123 20 30 CGEDMO CCCCCCCCCC[N@@H+]1CCn2cnc(CO)c2C1 ZINC001235503815 819111071 /nfs/dbraw/zinc/11/10/71/819111071.db2.gz YDCWKZVEWWTVEJ-UHFFFAOYSA-N 1 1 293.455 3.332 20 30 CGEDMO CCCCCCCCCC[N@H+]1CCn2cnc(CO)c2C1 ZINC001235503815 819111075 /nfs/dbraw/zinc/11/10/75/819111075.db2.gz YDCWKZVEWWTVEJ-UHFFFAOYSA-N 1 1 293.455 3.332 20 30 CGEDMO C[C@]1(F)CC[N@H+](Cc2ccccc2CC#N)C[C@H]1F ZINC001235510408 819112389 /nfs/dbraw/zinc/11/23/89/819112389.db2.gz AXBRRTFCIZSWGA-CABCVRRESA-N 1 1 264.319 3.025 20 30 CGEDMO C[C@]1(F)CC[N@@H+](Cc2ccccc2CC#N)C[C@H]1F ZINC001235510408 819112391 /nfs/dbraw/zinc/11/23/91/819112391.db2.gz AXBRRTFCIZSWGA-CABCVRRESA-N 1 1 264.319 3.025 20 30 CGEDMO COc1ccc(CC[N@@H+](C)Cc2ccccc2CC#N)cc1 ZINC001235523955 819114372 /nfs/dbraw/zinc/11/43/72/819114372.db2.gz XARZEUPHCUETCN-UHFFFAOYSA-N 1 1 294.398 3.436 20 30 CGEDMO CCCCC[N@H+](C)Cc1c(F)cc(C#N)cc1F ZINC001235650918 819130676 /nfs/dbraw/zinc/13/06/76/819130676.db2.gz SCBFYFFGRUMMRX-UHFFFAOYSA-N 1 1 252.308 3.458 20 30 CGEDMO CCCCC[N@@H+](C)Cc1c(F)cc(C#N)cc1F ZINC001235650918 819130681 /nfs/dbraw/zinc/13/06/81/819130681.db2.gz SCBFYFFGRUMMRX-UHFFFAOYSA-N 1 1 252.308 3.458 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H]1C=CCCC1 ZINC001235775237 819166622 /nfs/dbraw/zinc/16/66/22/819166622.db2.gz BJFJLMUJNLYJKR-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@@H+](Cc1n[nH]c2cc(N)ccc21)Cc1ccccc1 ZINC001235962692 819251531 /nfs/dbraw/zinc/25/15/31/819251531.db2.gz PEXAPFRNDZWGFX-UHFFFAOYSA-N 1 1 292.386 3.333 20 30 CGEDMO C=CC[N@H+](Cc1n[nH]c2cc(N)ccc21)Cc1ccccc1 ZINC001235962692 819251534 /nfs/dbraw/zinc/25/15/34/819251534.db2.gz PEXAPFRNDZWGFX-UHFFFAOYSA-N 1 1 292.386 3.333 20 30 CGEDMO C=CCCCCCCCCC[N@H+]1CC[C@H]2COC[C@@H](C1)N2 ZINC001235997990 819267783 /nfs/dbraw/zinc/26/77/83/819267783.db2.gz WJTVOMSGBXYEDG-ZWKOTPCHSA-N 1 1 294.483 3.356 20 30 CGEDMO CCCCCCCCCCC[N@H+]1CC[C@](N)(C(=O)OC)C1 ZINC001236280238 819411957 /nfs/dbraw/zinc/41/19/57/819411957.db2.gz UZLDXBUPOXFAEE-QGZVFWFLSA-N 1 1 298.471 3.093 20 30 CGEDMO C=CC[N@H+](C[C@H]1[C@@H](C)CNCC1(F)F)C1CCCCC1 ZINC001236434755 819477823 /nfs/dbraw/zinc/47/78/23/819477823.db2.gz WMJSZXQFOYFJMX-ZFWWWQNUSA-N 1 1 286.410 3.298 20 30 CGEDMO N#Cc1ccc(C[NH+]2C3CCC2CC3)cc1Br ZINC001236861985 819626772 /nfs/dbraw/zinc/62/67/72/819626772.db2.gz ZXJJWMWOLDSUDO-UHFFFAOYSA-N 1 1 291.192 3.448 20 30 CGEDMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cc(C#N)c(F)cc1F ZINC001237525258 819772151 /nfs/dbraw/zinc/77/21/51/819772151.db2.gz CEWXDLLFSIAVFC-WDEREUQCSA-N 1 1 264.319 3.457 20 30 CGEDMO CC(C)[C@@H]1CCC[N@H+]1Cc1cc(C#N)c(F)cc1F ZINC001237528476 819772389 /nfs/dbraw/zinc/77/23/89/819772389.db2.gz BJUFTTSUXUHIBM-HNNXBMFYSA-N 1 1 264.319 3.457 20 30 CGEDMO N#C[C@H]1CCC[N@H+](Cc2ccccc2C2CCOCC2)C1 ZINC001237906257 819875774 /nfs/dbraw/zinc/87/57/74/819875774.db2.gz QKLOHQSUVBJADE-OAHLLOKOSA-N 1 1 284.403 3.316 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2ccccc2C2CCOCC2)C1 ZINC001237906257 819875792 /nfs/dbraw/zinc/87/57/92/819875792.db2.gz QKLOHQSUVBJADE-OAHLLOKOSA-N 1 1 284.403 3.316 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2[nH]nc3cc(Cl)ccc32)C1 ZINC001238000829 819907939 /nfs/dbraw/zinc/90/79/39/819907939.db2.gz PUTZKEJRSKGALB-NSHDSACASA-N 1 1 273.767 3.062 20 30 CGEDMO C[C@]1(CF)CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC001238080113 819926827 /nfs/dbraw/zinc/92/68/27/819926827.db2.gz KWQYBYFEUCCDGA-CQSZACIVSA-N 1 1 266.747 3.393 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2Cl)[C@@](C)(CO)C1 ZINC001238082863 819928160 /nfs/dbraw/zinc/92/81/60/819928160.db2.gz OIZFCEKAILMHJO-MRXNPFEDSA-N 1 1 292.810 3.195 20 30 CGEDMO C=CC[NH+]1CCN(Cc2cccc(-c3cccs3)n2)CC1 ZINC001238219179 819961529 /nfs/dbraw/zinc/96/15/29/819961529.db2.gz LRYJZRLBQYEFAE-UHFFFAOYSA-N 1 1 299.443 3.114 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@H](CC#N)C2)cnc1C1CC1 ZINC001238618540 820062461 /nfs/dbraw/zinc/06/24/61/820062461.db2.gz UABFCCNIIOZUMB-CQSZACIVSA-N 1 1 269.392 3.393 20 30 CGEDMO CCc1cc(C[N@H+]2CCC[C@H](F)CC2)ccc1C#N ZINC001238766148 820111064 /nfs/dbraw/zinc/11/10/64/820111064.db2.gz IQADOLYSRUDFRR-INIZCTEOSA-N 1 1 260.356 3.445 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1c1ccc(-c2cn[nH]c2)cc1 ZINC001240244100 820912932 /nfs/dbraw/zinc/91/29/32/820912932.db2.gz XSGSVDVYNPTTMI-MRXNPFEDSA-N 1 1 253.349 3.400 20 30 CGEDMO N#Cc1ccnc(C2=CCC[N@@H+](Cc3ccccc3)C2)c1F ZINC001240383906 821007837 /nfs/dbraw/zinc/00/78/37/821007837.db2.gz GRXFSNVSFPXLJL-UHFFFAOYSA-N 1 1 293.345 3.382 20 30 CGEDMO N#Cc1cc(C2=CC[N@@H+](Cc3ccccc3)CC2)ccn1 ZINC001241502972 821903874 /nfs/dbraw/zinc/90/38/74/821903874.db2.gz DVDCRBOFUQPQCG-UHFFFAOYSA-N 1 1 275.355 3.243 20 30 CGEDMO Cc1cc(N)[nH+]cc1-c1nc2ccccc2cc1CC#N ZINC001242077727 822337956 /nfs/dbraw/zinc/33/79/56/822337956.db2.gz JECIBMHYSHGNQI-UHFFFAOYSA-N 1 1 274.327 3.254 20 30 CGEDMO Cc1cc(C#N)ccc1-c1ccccc1C[NH+]1CCOCC1 ZINC001242472585 823004456 /nfs/dbraw/zinc/00/44/56/823004456.db2.gz DESZHEBSOWGRLD-UHFFFAOYSA-N 1 1 292.382 3.366 20 30 CGEDMO Cc1cc(C#N)cc(-c2cccc(C[NH+]3CCOCC3)c2)c1 ZINC001242479141 823006588 /nfs/dbraw/zinc/00/65/88/823006588.db2.gz PDYIYXVHUXIGMQ-UHFFFAOYSA-N 1 1 292.382 3.366 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)[C@@H](C)CCC)C(C)(C)C1 ZINC001330184172 935274669 /nfs/dbraw/zinc/27/46/69/935274669.db2.gz LKOWJSAUJCCLLU-GJZGRUSLSA-N 1 1 280.456 3.215 20 30 CGEDMO N#Cc1cc(Cl)nc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC001339769308 936384442 /nfs/dbraw/zinc/38/44/42/936384442.db2.gz ICYOOXXAEJFWKD-CHWSQXEVSA-N 1 1 290.798 3.035 20 30 CGEDMO C#CC[N@@H+](Cc1cc(OC)ccc1Cl)CC1CC1 ZINC001343595707 936507614 /nfs/dbraw/zinc/50/76/14/936507614.db2.gz JYFPYLMOOQPJPG-UHFFFAOYSA-N 1 1 263.768 3.194 20 30 CGEDMO C#CC[N@H+](Cc1cc(OC)ccc1Cl)CC1CC1 ZINC001343595707 936507616 /nfs/dbraw/zinc/50/76/16/936507616.db2.gz JYFPYLMOOQPJPG-UHFFFAOYSA-N 1 1 263.768 3.194 20 30 CGEDMO C=C(CC)C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC001347949694 936903515 /nfs/dbraw/zinc/90/35/15/936903515.db2.gz CJQWVSCRPRJINP-MRXNPFEDSA-N 1 1 286.419 3.076 20 30 CGEDMO Cc1cc(C)c(COC(=O)c2csc(C#N)c2)c(C)[nH+]1 ZINC001348730728 936931890 /nfs/dbraw/zinc/93/18/90/936931890.db2.gz LDBRPXKYAJDRMH-UHFFFAOYSA-N 1 1 286.356 3.297 20 30 CGEDMO CCOC(=O)[C@H](C)[N@@H+](CCCCC1(C#N)CCC1)C1CC1 ZINC001351387009 937016514 /nfs/dbraw/zinc/01/65/14/937016514.db2.gz FCMMZBDOANZYHC-AWEZNQCLSA-N 1 1 292.423 3.267 20 30 CGEDMO CCCCCCCC(=O)N[C@H]1C[N@@H+](CC)CC1(C)C ZINC001472057914 937079537 /nfs/dbraw/zinc/07/95/37/937079537.db2.gz SQFBEIOZZRABAF-AWEZNQCLSA-N 1 1 268.445 3.193 20 30 CGEDMO C=C(C)CC[N@H+](C)CCNC(=O)C1(CC(C)C)CCC1 ZINC001480888611 926741603 /nfs/dbraw/zinc/74/16/03/926741603.db2.gz JKNAHUPLIRNFIK-UHFFFAOYSA-N 1 1 280.456 3.217 20 30 CGEDMO CC[N@@H+](Cc1ccc(C)cc1)Cc1cncc(C#N)c1 ZINC000721522818 926810652 /nfs/dbraw/zinc/81/06/52/926810652.db2.gz MZZCKFHMDYPEQX-UHFFFAOYSA-N 1 1 265.360 3.284 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)[C@H]1C[C@@]1(C)C(C)C ZINC001481010124 926857692 /nfs/dbraw/zinc/85/76/92/926857692.db2.gz UADUEPSXJXMOSX-WBVHZDCISA-N 1 1 280.456 3.073 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H](C)CCCCC ZINC001481061487 926877707 /nfs/dbraw/zinc/87/77/07/926877707.db2.gz YFPHCSPZUUWGBZ-DLBZAZTESA-N 1 1 292.467 3.197 20 30 CGEDMO CC#CC[N@@H+](CCC)CCNC(=O)C(C)(C)CC(C)(C)C ZINC001481155010 926899312 /nfs/dbraw/zinc/89/93/12/926899312.db2.gz PUNZIGYKJMORSL-UHFFFAOYSA-N 1 1 294.483 3.300 20 30 CGEDMO C=C(C)C[N@H+](CCNC(=O)C1(CCC)CCC1)C1CC1 ZINC001481181885 926902730 /nfs/dbraw/zinc/90/27/30/926902730.db2.gz LDPRSIBCDNLAGB-UHFFFAOYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@H+](CCNC(=O)[C@H](C)CC1CCCCC1)C1CC1 ZINC001481186899 926903450 /nfs/dbraw/zinc/90/34/50/926903450.db2.gz BOZSROPOQXAVJA-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+](CCNC(=O)c1occc1Cl)C1CC1 ZINC001481184556 926904279 /nfs/dbraw/zinc/90/42/79/926904279.db2.gz KKRARSYSIQBISY-UHFFFAOYSA-N 1 1 296.798 3.093 20 30 CGEDMO C=CC[N@@H+](CCNC(=O)CCC1CCCCC1)C1CC1 ZINC001481195208 926905453 /nfs/dbraw/zinc/90/54/53/926905453.db2.gz LCNPJUWYDOBEHR-UHFFFAOYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)C2CCC(=C)CC2)C1 ZINC001481405181 926979729 /nfs/dbraw/zinc/97/97/29/926979729.db2.gz AYGXUCFVHGSCOZ-KRWDZBQOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)C)C1 ZINC001481502791 927006198 /nfs/dbraw/zinc/00/61/98/927006198.db2.gz CYRCQQDNOFSGOG-CABCVRRESA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[N@H+](C)CC1CCN(C(=O)C2(C)CC(=C)C2)CC1 ZINC001481518519 927012426 /nfs/dbraw/zinc/01/24/26/927012426.db2.gz XJPZEIOAMQYVOJ-UHFFFAOYSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@@H](NC(=O)C2CC=CC2)C1 ZINC001481524048 927013686 /nfs/dbraw/zinc/01/36/86/927013686.db2.gz LIMYEXLIKCPFKW-QGZVFWFLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)C2(CCC)CC2)C1 ZINC001481537179 927020744 /nfs/dbraw/zinc/02/07/44/927020744.db2.gz KXWPZWZOQTWCQM-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CCCC1 ZINC001481675382 927052498 /nfs/dbraw/zinc/05/24/98/927052498.db2.gz MIAFXEVOHPFKFF-PMPSAXMXSA-N 1 1 290.451 3.207 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CC(C)(C)C2CC2)C1 ZINC001481701601 927062712 /nfs/dbraw/zinc/06/27/12/927062712.db2.gz NKONOHCFCXVQFT-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@](C)(CC)CCC)C1 ZINC001481694593 927065038 /nfs/dbraw/zinc/06/50/38/927065038.db2.gz MODSLUADYFCJCS-RDJZCZTQSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[C@H](C(=O)N[C@@H]1CC[N@H+](CC(=C)C)C1)c1ccccc1 ZINC001481709447 927067720 /nfs/dbraw/zinc/06/77/20/927067720.db2.gz FRVIXXPHDUFITR-MSOLQXFVSA-N 1 1 298.430 3.113 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)CC2CCCCC2)C1 ZINC001481713587 927069913 /nfs/dbraw/zinc/06/99/13/927069913.db2.gz NEBRDJWCKLAXPW-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)C=C(CC)CC)C1 ZINC001481719423 927074518 /nfs/dbraw/zinc/07/45/18/927074518.db2.gz JFOHJCQXAWVDTC-MRXNPFEDSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)/C=C/C(C)(C)C)C1 ZINC001481761963 927083764 /nfs/dbraw/zinc/08/37/64/927083764.db2.gz POJUNYCKYGCTSV-YCABEKBOSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)/C=C(/C)CC)CC2 ZINC001482068953 927140453 /nfs/dbraw/zinc/14/04/53/927140453.db2.gz LUNULYREZJJHSN-PEZBUJJGSA-N 1 1 290.451 3.233 20 30 CGEDMO CC(C)C#CC(=O)N1CCC[C@H]1C[N@H+](C)CCCC(C)C ZINC001505429044 927280945 /nfs/dbraw/zinc/28/09/45/927280945.db2.gz KVGXIMCRLMVAGB-KRWDZBQOSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)C1(C2CCCCC2)CC1 ZINC001482645359 927334327 /nfs/dbraw/zinc/33/43/27/927334327.db2.gz QJMMJHLWNVNSIH-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)CC(C)(C)C)CC[C@H]21 ZINC001482656470 927338157 /nfs/dbraw/zinc/33/81/57/927338157.db2.gz WRHCNKCDPKDJBA-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)CCN(C)C(=O)c1cccc2ccccc21 ZINC001482646544 927339151 /nfs/dbraw/zinc/33/91/51/927339151.db2.gz JHGCCOAQFDHTHG-UHFFFAOYSA-N 1 1 282.387 3.030 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCCC)CC[C@H]21 ZINC001482658596 927340813 /nfs/dbraw/zinc/34/08/13/927340813.db2.gz URZQRZQCGCSRNA-IAGOWNOFSA-N 1 1 292.467 3.456 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]1CNC(=O)C1=CCCC1 ZINC001483644336 927560021 /nfs/dbraw/zinc/56/00/21/927560021.db2.gz PLRCKTVNLCMEBX-MRXNPFEDSA-N 1 1 278.440 3.258 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)CC1(C)CCCC1 ZINC001483647246 927561050 /nfs/dbraw/zinc/56/10/50/927561050.db2.gz JRRALRKSBMEVRU-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1CCC(=C)C)c1ccccc1 ZINC001483707849 927580676 /nfs/dbraw/zinc/58/06/76/927580676.db2.gz FXJZIOONPKNVKK-ZWKOTPCHSA-N 1 1 298.430 3.113 20 30 CGEDMO C=CCCC[NH+]1CC(N(C)C(=O)c2sc(C)cc2C)C1 ZINC001483864381 927637861 /nfs/dbraw/zinc/63/78/61/927637861.db2.gz JDJJBGDFLJGEHN-UHFFFAOYSA-N 1 1 292.448 3.087 20 30 CGEDMO C=CC[N@@H+]1CCC[C@](C)(CNC(=O)C[C@H]2CC=CCC2)C1 ZINC001484169682 927686099 /nfs/dbraw/zinc/68/60/99/927686099.db2.gz ZHIQEELVTHABBV-FUHWJXTLSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCC)C2 ZINC001484316430 927691319 /nfs/dbraw/zinc/69/13/19/927691319.db2.gz NQZAUZIJBKVGLS-JYJNAYRXSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H]2CCCN(C(=O)C(C)(C)F)[C@@H]2C1 ZINC001484467302 927710111 /nfs/dbraw/zinc/71/01/11/927710111.db2.gz GJHPFYZKDBEPBI-SOUVJXGZSA-N 1 1 296.430 3.012 20 30 CGEDMO C#CCCCC(=O)N[C@H]1CCC[N@H+](CCC(C)(C)C)CC1 ZINC001484713764 927739918 /nfs/dbraw/zinc/73/99/18/927739918.db2.gz JWPVJOGXVKPZFU-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1CCC[N@@H+](CC2CCC2)CC1 ZINC001484723099 927741507 /nfs/dbraw/zinc/74/15/07/927741507.db2.gz LONNLEULPRMCKI-WMZOPIPTSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CCC[N@H+](CCC)CC2)CCC1 ZINC001484723141 927742590 /nfs/dbraw/zinc/74/25/90/927742590.db2.gz MERWMRQZSMGZDS-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)CCc1ccsc1 ZINC001484745955 927749039 /nfs/dbraw/zinc/74/90/39/927749039.db2.gz ZJSZDWKBDVNCHM-UHFFFAOYSA-N 1 1 294.464 3.037 20 30 CGEDMO C=C1CCC(C(=O)N(C)CCC[N@H+](C)C[C@H](F)CC)CC1 ZINC001484756950 927754990 /nfs/dbraw/zinc/75/49/90/927754990.db2.gz GVSZWHJPEBBNIY-MRXNPFEDSA-N 1 1 298.446 3.261 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)F)C2 ZINC001484823422 927760330 /nfs/dbraw/zinc/76/03/30/927760330.db2.gz CJSJMNQWHLXAHE-QGZVFWFLSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@@]2(CC[N@H+](CCC)C2)C1 ZINC001484829699 927761794 /nfs/dbraw/zinc/76/17/94/927761794.db2.gz IKRUZRGLAXLPJC-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1Cc2ccc(CNC(=O)CCCC)cc2C1 ZINC001484873897 927763270 /nfs/dbraw/zinc/76/32/70/927763270.db2.gz DOCRFIYQTWVKTL-UHFFFAOYSA-N 1 1 286.419 3.385 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C(CC)CC)C(C)(C)C1 ZINC001484935889 927773715 /nfs/dbraw/zinc/77/37/15/927773715.db2.gz BMISWAZJTVARIP-HOCLYGCPSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[N@H+](CC(C)C)[C@H](C)C1 ZINC001484982087 927780061 /nfs/dbraw/zinc/78/00/61/927780061.db2.gz LINODRDYERBEQX-CABCVRRESA-N 1 1 280.456 3.214 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)CC(C)C)C[C@H]1C ZINC001484983762 927780725 /nfs/dbraw/zinc/78/07/25/927780725.db2.gz XOIQZYBYMYQRJI-CVEARBPZSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC2(CC2)C1 ZINC001485300814 927844644 /nfs/dbraw/zinc/84/46/44/927844644.db2.gz GPTQQWZHWAUXHR-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001485306090 927847330 /nfs/dbraw/zinc/84/73/30/927847330.db2.gz JTJNLUPNNYJQQW-QLFBSQMISA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCCCC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1C ZINC001485344248 927853234 /nfs/dbraw/zinc/85/32/34/927853234.db2.gz HHWSJRKXXFSGHN-MRXNPFEDSA-N 1 1 288.435 3.288 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCCCC)C[C@H]2C1 ZINC001485656571 927895541 /nfs/dbraw/zinc/89/55/41/927895541.db2.gz DYFDBRMGVGQULN-YESZJQIVSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCC([N@@H+](C)CCC2CC2)CC1 ZINC001485762215 927917127 /nfs/dbraw/zinc/91/71/27/927917127.db2.gz PJVNLPXIJQPZMM-HNNXBMFYSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(C(=O)OC)c(C)c2)C1 ZINC001474595631 937207455 /nfs/dbraw/zinc/20/74/55/937207455.db2.gz OBWXLKWGNKEFRL-OAHLLOKOSA-N 1 1 285.387 3.017 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@]2(NC(=O)C=C(C)C)CCC[C@@H]12 ZINC001486141504 927988274 /nfs/dbraw/zinc/98/82/74/927988274.db2.gz URTIPIUADNXHGM-WBVHZDCISA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3CC)CCC[C@@H]12 ZINC001486144153 927990111 /nfs/dbraw/zinc/99/01/11/927990111.db2.gz GAVBPJOCFBRDDG-YFHUEUNASA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C=C(CC)CC)[C@@H]1C ZINC001486168897 927993608 /nfs/dbraw/zinc/99/36/08/927993608.db2.gz ALWWVCYQDDINBQ-ZFWWWQNUSA-N 1 1 298.858 3.454 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C=C(CC)CC)[C@@H]1C ZINC001486168897 927993617 /nfs/dbraw/zinc/99/36/17/927993617.db2.gz ALWWVCYQDDINBQ-ZFWWWQNUSA-N 1 1 298.858 3.454 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)CC(C)(C)CC)[C@H]1C ZINC001486174568 927996520 /nfs/dbraw/zinc/99/65/20/927996520.db2.gz XEYREWBPGXHYAL-HUUCEWRRSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)/C=C(\C)CC)C(C)C ZINC001486368155 928008729 /nfs/dbraw/zinc/00/87/29/928008729.db2.gz KUKDBODKZHULDA-RVDMUPIBSA-N 1 1 266.429 3.088 20 30 CGEDMO C=CCC1(C(=O)NC2C[NH+](CC/C=C/CCC)C2)CCC1 ZINC001494441034 928057182 /nfs/dbraw/zinc/05/71/82/928057182.db2.gz DNKWMKIRKUOMDK-VOTSOKGWSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C(CC)CC ZINC001230834681 928073310 /nfs/dbraw/zinc/07/33/10/928073310.db2.gz JWSKEAOAHMCIJJ-ZBFHGGJFSA-N 1 1 280.456 3.310 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C2(CC)CCC2)C1 ZINC001494841914 928170864 /nfs/dbraw/zinc/17/08/64/928170864.db2.gz BORJSBLNLRVCHB-JKSUJKDBSA-N 1 1 292.467 3.454 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1CCC(F)(F)[C@@H](C)C1 ZINC001171204218 928200257 /nfs/dbraw/zinc/20/02/57/928200257.db2.gz UMQFWZRBQLQURZ-QWHCGFSZSA-N 1 1 278.346 3.466 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@H+]1C[C@@H](C)C[C@H]1CF ZINC001171210020 928201139 /nfs/dbraw/zinc/20/11/39/928201139.db2.gz OYGXURREXKFXIQ-ZENOOKHLSA-N 1 1 260.356 3.169 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1C[C@@H](C)C[C@H]1CF ZINC001171210019 928201501 /nfs/dbraw/zinc/20/15/01/928201501.db2.gz OYGXURREXKFXIQ-XEZPLFJOSA-N 1 1 260.356 3.169 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](C)CCCC ZINC001489321014 928330101 /nfs/dbraw/zinc/33/01/01/928330101.db2.gz XRUADVIOTOHADL-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCNC(=O)[C@]1(C)CCC[C@@H]1C ZINC001490243724 928337323 /nfs/dbraw/zinc/33/73/23/928337323.db2.gz IFAPEDYRJXTSMH-DOTOQJQBSA-N 1 1 280.456 3.217 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H](NC(=O)C#CC(C)C)C1 ZINC001490436068 928361895 /nfs/dbraw/zinc/36/18/95/928361895.db2.gz DFZDZEMDMJUDDC-KRWDZBQOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)SC)C1 ZINC001490428391 928364823 /nfs/dbraw/zinc/36/48/23/928364823.db2.gz VUORPFAFPKDTTQ-HUUCEWRRSA-N 1 1 298.496 3.065 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H](NC(=O)C#CC(C)C)C1 ZINC001490436251 928364940 /nfs/dbraw/zinc/36/49/40/928364940.db2.gz DFZDZEMDMJUDDC-QGZVFWFLSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)c2ccccc2C)C1 ZINC001490517961 928367073 /nfs/dbraw/zinc/36/70/73/928367073.db2.gz YYXPQMDVLGRODX-HOTGVXAUSA-N 1 1 286.419 3.154 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001490560933 928371543 /nfs/dbraw/zinc/37/15/43/928371543.db2.gz DUHVVWKWFUBXRV-BZUAXINKSA-N 1 1 280.456 3.193 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(Cl)cc1 ZINC001492824436 937241747 /nfs/dbraw/zinc/24/17/47/937241747.db2.gz WAMDUOACVMNIQS-CYBMUJFWSA-N 1 1 294.826 3.356 20 30 CGEDMO CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)CCC(C)(C)C)C1 ZINC001318442959 928437161 /nfs/dbraw/zinc/43/71/61/928437161.db2.gz OHKSKFDAQZGLAV-HZPDHXFCSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](CC(C)(C)C)C2(C)C)C1=O ZINC001307835412 928506503 /nfs/dbraw/zinc/50/65/03/928506503.db2.gz OEBDHVYOJHKCBG-LSDHHAIUSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](C)SC)CC1 ZINC001327111881 928604362 /nfs/dbraw/zinc/60/43/62/928604362.db2.gz HVWOGBVEJRWVLK-LSDHHAIUSA-N 1 1 298.496 3.065 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](C[C@H](C)c2ccc(OC)cc2)C1 ZINC001327498162 928670161 /nfs/dbraw/zinc/67/01/61/928670161.db2.gz DRQKXOWHUFTMBJ-WMLDXEAASA-N 1 1 275.392 3.076 20 30 CGEDMO C[C@H]1CC(=[NH+]n2cc(Br)cn2)C[C@H](C)C1 ZINC000752746906 928828035 /nfs/dbraw/zinc/82/80/35/928828035.db2.gz LULJAXSVWRWIJV-RKDXNWHRSA-N 1 1 270.174 3.306 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)CC2CC(C)(C)C2)C1 ZINC001491119732 928832836 /nfs/dbraw/zinc/83/28/36/928832836.db2.gz HKPXWSHQQMTIMK-HNNXBMFYSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](CC)CC(C)C)C1 ZINC001491125959 928833889 /nfs/dbraw/zinc/83/38/89/928833889.db2.gz RTMSUWTXHNEFSF-HOTGVXAUSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@@H](F)CC)C1 ZINC001491117483 928834597 /nfs/dbraw/zinc/83/45/97/928834597.db2.gz IDQNVUIMNHNPNP-GJZGRUSLSA-N 1 1 298.446 3.165 20 30 CGEDMO CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](CCC)C(C)C ZINC001491226826 928846480 /nfs/dbraw/zinc/84/64/80/928846480.db2.gz XIHPNKOPDLAWOG-DLBZAZTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=C1CC[NH+]([C@H](CC)C(=O)N(C)c2ccc(C)cc2)CC1 ZINC001459459800 937488823 /nfs/dbraw/zinc/48/88/23/937488823.db2.gz XCPAKZWHUCHRPN-QGZVFWFLSA-N 1 1 286.419 3.388 20 30 CGEDMO CC[N@@H+](CC#CCOC)[C@H](Cc1ccc(F)cc1)C(C)C ZINC001459554462 937491635 /nfs/dbraw/zinc/49/16/35/937491635.db2.gz BHQONFMHSCNGKQ-GOSISDBHSA-N 1 1 291.410 3.365 20 30 CGEDMO C#CC[N@H+](CC#CC)C/C=C\c1ccc(Cl)cc1 ZINC001459575539 937492790 /nfs/dbraw/zinc/49/27/90/937492790.db2.gz KSPJCWNRMDJHJZ-SREVYHEPSA-N 1 1 257.764 3.312 20 30 CGEDMO C#CC[N@@H+](CC#CC)C/C=C\c1ccc(Cl)cc1 ZINC001459575539 937492792 /nfs/dbraw/zinc/49/27/92/937492792.db2.gz KSPJCWNRMDJHJZ-SREVYHEPSA-N 1 1 257.764 3.312 20 30 CGEDMO CC1(C)CO[C@@H](C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)C1 ZINC001459815156 937501558 /nfs/dbraw/zinc/50/15/58/937501558.db2.gz BIEPZCZAJJEELZ-QGZVFWFLSA-N 1 1 284.403 3.338 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)CCc1c(Cl)cccc1Cl ZINC001460026723 937512261 /nfs/dbraw/zinc/51/22/61/937512261.db2.gz BXBHLVPTUAGZQN-SNVBAGLBSA-N 1 1 256.176 3.489 20 30 CGEDMO CCCCCCCCC[N@@H+](C)[C@@H]1CCN2CCO[C@H]1C2 ZINC001460145649 937518173 /nfs/dbraw/zinc/51/81/73/937518173.db2.gz QKTSEVKBJRDMJQ-SJORKVTESA-N 1 1 282.472 3.142 20 30 CGEDMO C#CC[N@H+](CCOc1cccc2ccccc21)C1CSC1 ZINC001460373776 937529374 /nfs/dbraw/zinc/52/93/74/937529374.db2.gz ABBADVVWQQTSSM-UHFFFAOYSA-N 1 1 297.423 3.269 20 30 CGEDMO C#CC[N@@H+](CCOc1cccc2ccccc21)C1CSC1 ZINC001460373776 937529375 /nfs/dbraw/zinc/52/93/75/937529375.db2.gz ABBADVVWQQTSSM-UHFFFAOYSA-N 1 1 297.423 3.269 20 30 CGEDMO C#CCC[N@H+](CCCOc1cccc(Cl)c1)CCOC ZINC001460508322 937533068 /nfs/dbraw/zinc/53/30/68/937533068.db2.gz KVEDFTTYCLKKBG-UHFFFAOYSA-N 1 1 295.810 3.081 20 30 CGEDMO CC(C)(C)OC[C@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001460751693 937543825 /nfs/dbraw/zinc/54/38/25/937543825.db2.gz ZBFBQQSCGQYKJL-QGZVFWFLSA-N 1 1 289.394 3.457 20 30 CGEDMO C[C@@H]1CN(Cc2ccc(CC#N)cc2)CC[N@H+]1C1CCCC1 ZINC001460780830 937545130 /nfs/dbraw/zinc/54/51/30/937545130.db2.gz ORQRCKWNZFMGJM-MRXNPFEDSA-N 1 1 297.446 3.201 20 30 CGEDMO C[C@H]1CN([C@@H](C#N)c2ccccc2)CC[N@H+]1C1CCCC1 ZINC001460781060 937545176 /nfs/dbraw/zinc/54/51/76/937545176.db2.gz QKXAJTILLOLINZ-YJBOKZPZSA-N 1 1 283.419 3.200 20 30 CGEDMO C[N@@H+](CCC(=O)c1ccccc1)Cc1ccc(C#N)c(F)c1 ZINC001139529568 931953003 /nfs/dbraw/zinc/95/30/03/931953003.db2.gz WCEGQGWANYKIMF-UHFFFAOYSA-N 1 1 296.345 3.402 20 30 CGEDMO CC(C)[N@@H+](CCCCCO)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140117778 931955777 /nfs/dbraw/zinc/95/57/77/931955777.db2.gz YKWNQRYEDOBQDD-UHFFFAOYSA-N 1 1 299.418 3.413 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(F)cc1F ZINC001460888104 937551368 /nfs/dbraw/zinc/55/13/68/937551368.db2.gz ZWESUPOLMIUGDZ-CYBMUJFWSA-N 1 1 294.345 3.334 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@H](CC)C(=O)N(C)c1ccc(C)cc1 ZINC001460902529 937551797 /nfs/dbraw/zinc/55/17/97/937551797.db2.gz AXJNNMRAUNPMDK-IAGOWNOFSA-N 1 1 286.419 3.387 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H](CC)C(=O)N(C)c1ccc(C)cc1 ZINC001460902536 937551999 /nfs/dbraw/zinc/55/19/99/937551999.db2.gz AXJNNMRAUNPMDK-SJORKVTESA-N 1 1 286.419 3.387 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCO[C@H](c2ccccc2)CC1 ZINC001460950759 937555618 /nfs/dbraw/zinc/55/56/18/937555618.db2.gz QVBXCFFPNLYZMZ-ZBFHGGJFSA-N 1 1 258.365 3.142 20 30 CGEDMO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@H](C2CCCC2)C1 ZINC001460954211 937555731 /nfs/dbraw/zinc/55/57/31/937555731.db2.gz YHGLGNPTKTVNMF-HOCLYGCPSA-N 1 1 259.397 3.332 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)CC1CCC(O)CC1 ZINC001330503808 932039161 /nfs/dbraw/zinc/03/91/61/932039161.db2.gz PQISSQUANZZNNB-UHFFFAOYSA-N 1 1 273.420 3.268 20 30 CGEDMO Cc1nc(O[C@@H]2CC[N@H+](C(C)C)C2)c(C#N)c(C)c1Cl ZINC001227828156 932042811 /nfs/dbraw/zinc/04/28/11/932042811.db2.gz NDSLXOBXBWOGDO-GFCCVEGCSA-N 1 1 293.798 3.085 20 30 CGEDMO N#Cc1cccc(OC2CC[NH+](CCF)CC2)c1Cl ZINC001229067866 932085875 /nfs/dbraw/zinc/08/58/75/932085875.db2.gz RNDDKAXGBNPGQI-UHFFFAOYSA-N 1 1 282.746 3.024 20 30 CGEDMO C=CC[C@H](CCC)Oc1ccc(C(=[NH2+])NO)c(F)c1 ZINC001229083200 932091495 /nfs/dbraw/zinc/09/14/95/932091495.db2.gz OUJURAWMOSMJKV-SNVBAGLBSA-N 1 1 266.316 3.253 20 30 CGEDMO C#CCOc1ccc(CNc2ccc(OCC)c(C)[nH+]2)cc1 ZINC001461656352 937590356 /nfs/dbraw/zinc/59/03/56/937590356.db2.gz MRDPOGLYFOVCLY-UHFFFAOYSA-N 1 1 296.370 3.413 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCC)CC1 ZINC001230491097 932577624 /nfs/dbraw/zinc/57/76/24/932577624.db2.gz YLFVZNRBCGOCHE-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO CCCCCCC[C@H](C)Oc1[nH+][nH]cc2nncc1-2 ZINC001230895772 932637960 /nfs/dbraw/zinc/63/79/60/932637960.db2.gz KPFLGWOTETUOPI-NSHDSACASA-N 1 1 262.357 3.481 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)c(Cl)c1 ZINC001238088583 932694160 /nfs/dbraw/zinc/69/41/60/932694160.db2.gz INKFEMALNMZZLX-OCCSQVGLSA-N 1 1 288.778 3.013 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCCNC(=O)[C@H]1CCCC2(CC2)C1 ZINC001264986561 932742256 /nfs/dbraw/zinc/74/22/56/932742256.db2.gz PEKNNZFVNNUHGJ-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N(C)C[C@@H]1CC[N@@H+]1CC/C=C\CC ZINC001316601119 932745603 /nfs/dbraw/zinc/74/56/03/932745603.db2.gz OKNKXXDSQIAKHS-QWGSZXSUSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C=C)c1ccccc1 ZINC001316608572 932748816 /nfs/dbraw/zinc/74/88/16/932748816.db2.gz HFQQRMDHFARIQQ-ZWKOTPCHSA-N 1 1 298.430 3.065 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)[C@]23C[C@H]2CCC3)C1 ZINC001491939056 932798523 /nfs/dbraw/zinc/79/85/23/932798523.db2.gz PRYVEBAZGVNJBV-SOLBZPMBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1CCCNC(=O)CC(C)C ZINC001492136252 932809254 /nfs/dbraw/zinc/80/92/54/932809254.db2.gz RRGOUQJLRVUUHG-AWEZNQCLSA-N 1 1 286.847 3.146 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NCC[N@@H+](C)CC1=CCCCC1 ZINC001492381359 932815467 /nfs/dbraw/zinc/81/54/67/932815467.db2.gz MCMOTYWOIQGRFE-HNNXBMFYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C1CCC(C(=O)NCC[N@H+](C)CCC(C)(C)C)CC1 ZINC001492399714 932817570 /nfs/dbraw/zinc/81/75/70/932817570.db2.gz MWXFNCDTAAUUAA-UHFFFAOYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC1(CC(=O)NCC[N@H+](C)CC(C)C)CCCCC1 ZINC001492453885 932818036 /nfs/dbraw/zinc/81/80/36/932818036.db2.gz NZEHHYUIJOCDIH-UHFFFAOYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@@H+](C)CCCNC(=O)c1cccc(Cl)c1F ZINC001316845566 932864912 /nfs/dbraw/zinc/86/49/12/932864912.db2.gz KHQPIRBIPSRWNF-UHFFFAOYSA-N 1 1 298.789 3.107 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](CC[C@@H](C)c2ccccc2)C1 ZINC001338844533 932875803 /nfs/dbraw/zinc/87/58/03/932875803.db2.gz GHMOKPCUHOSIGA-NVXWUHKLSA-N 1 1 259.393 3.457 20 30 CGEDMO CC(C)C[C@@H]1CCCC[N@H+]1Cc1cc(C#N)ccn1 ZINC001307557090 932969778 /nfs/dbraw/zinc/96/97/78/932969778.db2.gz CGZMQXTWRQTIHA-INIZCTEOSA-N 1 1 257.381 3.354 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001307597086 932974326 /nfs/dbraw/zinc/97/43/26/932974326.db2.gz LTEVNTSFQRPYCN-NWDGAFQWSA-N 1 1 256.340 3.293 20 30 CGEDMO C=CCOCC[N@@H+]1CCCC[C@@H]1Cc1ccc(OC)cc1 ZINC001307904779 933017137 /nfs/dbraw/zinc/01/71/37/933017137.db2.gz FOOIQKFUXKIZLU-QGZVFWFLSA-N 1 1 289.419 3.295 20 30 CGEDMO C=CC[C@@H]1CCCN(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001307914535 933018895 /nfs/dbraw/zinc/01/88/95/933018895.db2.gz GRMIWUGGIAKMDX-IXDOHACOSA-N 1 1 264.457 3.252 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](CCN2C[C@H](C)C[C@H](C)C2)C1 ZINC001307914535 933018899 /nfs/dbraw/zinc/01/88/99/933018899.db2.gz GRMIWUGGIAKMDX-IXDOHACOSA-N 1 1 264.457 3.252 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CCN2C[C@H](C)C[C@H](C)C2)C1 ZINC001307914535 933018904 /nfs/dbraw/zinc/01/89/04/933018904.db2.gz GRMIWUGGIAKMDX-IXDOHACOSA-N 1 1 264.457 3.252 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC001307914667 933019080 /nfs/dbraw/zinc/01/90/80/933019080.db2.gz JLWJNMYQJPVGTR-AWEZNQCLSA-N 1 1 290.363 3.262 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(OC(C)C)c1)[C@H](C)COC ZINC001307923241 933020252 /nfs/dbraw/zinc/02/02/52/933020252.db2.gz GDEJXYFDYVIFNG-OAHLLOKOSA-N 1 1 277.408 3.497 20 30 CGEDMO CC[C@]1(Cc2ccccc2)CCC[N@H+]1CCO[C@@H](C)C#N ZINC001307919837 933020940 /nfs/dbraw/zinc/02/09/40/933020940.db2.gz XWJVEADFTNRNQX-FUHWJXTLSA-N 1 1 286.419 3.402 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC001307978385 933029406 /nfs/dbraw/zinc/02/94/06/933029406.db2.gz OGJGXWCOFNUNDR-IYBDPMFKSA-N 1 1 252.446 3.230 20 30 CGEDMO C=CC[C@H](C)[N@H+]1C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C1 ZINC001308071715 933044744 /nfs/dbraw/zinc/04/47/44/933044744.db2.gz AUDYTRAHJGFYNK-STQMWFEESA-N 1 1 282.428 3.186 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1cc(OC)ns1 ZINC001308137043 933055362 /nfs/dbraw/zinc/05/53/62/933055362.db2.gz NJFLSOIZJSDQNF-NSHDSACASA-N 1 1 252.383 3.082 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CC[C@@H](C)C1 ZINC001308629107 933147186 /nfs/dbraw/zinc/14/71/86/933147186.db2.gz JAVAIIALAIVAGW-GFCCVEGCSA-N 1 1 263.768 3.194 20 30 CGEDMO C#CCCCCCC[N@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC001308784426 933176214 /nfs/dbraw/zinc/17/62/14/933176214.db2.gz IKHFWUUUKRGENI-DLBZAZTESA-N 1 1 261.409 3.214 20 30 CGEDMO C#CC[N@@H+]([C@H](C)c1nccc2ccccc21)C1CSC1 ZINC001308909402 933202575 /nfs/dbraw/zinc/20/25/75/933202575.db2.gz RQPMLLZVXRESIQ-CYBMUJFWSA-N 1 1 282.412 3.346 20 30 CGEDMO C#CC[N@H+]([C@H](C)c1nccc2ccccc21)C1CSC1 ZINC001308909402 933202577 /nfs/dbraw/zinc/20/25/77/933202577.db2.gz RQPMLLZVXRESIQ-CYBMUJFWSA-N 1 1 282.412 3.346 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCCNC(=O)c1ccccc1Cl ZINC001316861375 933252311 /nfs/dbraw/zinc/25/23/11/933252311.db2.gz BXYUVQCUUAXODN-UHFFFAOYSA-N 1 1 294.826 3.358 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](CCCC)C(C)C ZINC001317514615 933318825 /nfs/dbraw/zinc/31/88/25/933318825.db2.gz XTCYRRHRCXLZAJ-IRXDYDNUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC1(NC(=O)NCC[N@H+](C)[C@H](C)CC)CCCCC1 ZINC001311859237 933319298 /nfs/dbraw/zinc/31/92/98/933319298.db2.gz PDVPPBBGOWOSBW-OAHLLOKOSA-N 1 1 295.471 3.295 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](NC(=O)c2occc2C)C1 ZINC001316968628 933462896 /nfs/dbraw/zinc/46/28/96/933462896.db2.gz GNAPJQPFHRXDOY-OAHLLOKOSA-N 1 1 292.423 3.363 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@H+](CCCCC)[C@@H]1C ZINC001316783614 933480702 /nfs/dbraw/zinc/48/07/02/933480702.db2.gz QWJIGZKTKILWFO-CABCVRRESA-N 1 1 266.429 3.112 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](CCC)C(C)C)[C@H]1C ZINC001316795019 933483635 /nfs/dbraw/zinc/48/36/35/933483635.db2.gz PODUUFFTZDWVFP-OAGGEKHMSA-N 1 1 280.456 3.214 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)C[C@H](CC)C(C)(C)C)[C@H]1C ZINC001316794778 933483787 /nfs/dbraw/zinc/48/37/87/933483787.db2.gz UWARZAZNNYPOBB-PMPSAXMXSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)CCCF)CC(C)(C)C1 ZINC001316811271 933485352 /nfs/dbraw/zinc/48/53/52/933485352.db2.gz KTUWTXHVRQSHJB-OAHLLOKOSA-N 1 1 298.446 3.309 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)/C(C)=C/C)CC(C)(C)C1 ZINC001316811609 933485705 /nfs/dbraw/zinc/48/57/05/933485705.db2.gz SAPMZIVKIIRSKH-KEQVLUGWSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@@H+](C)CCCNC(=O)CC1(C)CCCCC1 ZINC001316835319 933485984 /nfs/dbraw/zinc/48/59/84/933485984.db2.gz FVLVWAZQPSXRMI-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C=CCCC[N@@H+](C)CCCNC(=O)[C@H]1CCC(C)(C)C1 ZINC001316846946 933487279 /nfs/dbraw/zinc/48/72/79/933487279.db2.gz FXJJXZRQOUSEIO-HNNXBMFYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)[C@H]1CCCC[C@H]1CC)C1CC1 ZINC001316929715 933497548 /nfs/dbraw/zinc/49/75/48/933497548.db2.gz HOUOWLXUVKTIFL-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001316939079 933500697 /nfs/dbraw/zinc/50/06/97/933500697.db2.gz AYFKEVUBUYJIHR-RDJZCZTQSA-N 1 1 286.419 3.294 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)C2(C)CCCC2)C1 ZINC001317039171 933517800 /nfs/dbraw/zinc/51/78/00/933517800.db2.gz OOYNVRUEVCCOMT-MRXNPFEDSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)CCC ZINC001317041039 933518353 /nfs/dbraw/zinc/51/83/53/933518353.db2.gz SQGSBVGOUZHLAT-ZACQAIPSSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[C@H](C[N@@H+](C)CC(C)C)C1 ZINC001317038058 933518491 /nfs/dbraw/zinc/51/84/91/933518491.db2.gz FQPGOUUJYGJMKO-IAGOWNOFSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@H](C[N@H+](C)CCC)C1 ZINC001317044887 933521205 /nfs/dbraw/zinc/52/12/05/933521205.db2.gz SNTKDVWGDQEGSO-NVXWUHKLSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C=C(C)C)C1 ZINC001317100941 933531455 /nfs/dbraw/zinc/53/14/55/933531455.db2.gz NBJZCCXWJSVPFD-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@H]1CCC[N@@H+](CCC(C)C)C1 ZINC001317135792 933537951 /nfs/dbraw/zinc/53/79/51/933537951.db2.gz RESRGROLVZONCG-SJLPKXTDSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)C[C@H]2CC=CCC2)C1 ZINC001317136274 933539765 /nfs/dbraw/zinc/53/97/65/933539765.db2.gz BPWWEXSJPYGNLK-IRXDYDNUSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)C(C)=C1CCC1 ZINC001317171120 933545400 /nfs/dbraw/zinc/54/54/00/933545400.db2.gz NSBYUMNBUCMKBG-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C=C(C)CCC(=O)N1CCCC[C@H]1[C@H]1CCC[N@H+]1CCF ZINC001317209894 933553604 /nfs/dbraw/zinc/55/36/04/933553604.db2.gz VKKADCQJASLKEY-CVEARBPZSA-N 1 1 296.430 3.158 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)CCC2(C)CC2)C1 ZINC001317381180 933581140 /nfs/dbraw/zinc/58/11/40/933581140.db2.gz JNJSSEYDYPGQMR-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)CC(C)=C(C)C)C1 ZINC001317380105 933583376 /nfs/dbraw/zinc/58/33/76/933583376.db2.gz YLDJHMLKINZTDI-HNNXBMFYSA-N 1 1 298.858 3.408 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)CC(C)=C(C)C)C1 ZINC001317380105 933583389 /nfs/dbraw/zinc/58/33/89/933583389.db2.gz YLDJHMLKINZTDI-HNNXBMFYSA-N 1 1 298.858 3.408 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1coc(C)c1 ZINC001317428503 933592255 /nfs/dbraw/zinc/59/22/55/933592255.db2.gz XXCYDWDGDJPZME-INIZCTEOSA-N 1 1 290.407 3.139 20 30 CGEDMO C=CCCC[N@H+](CC)CCNC(=O)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001317492893 933605059 /nfs/dbraw/zinc/60/50/59/933605059.db2.gz QTEQWHIPXCFQJZ-FVQHAEBGSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CCC[N@@H+]2C[C@@H](F)CC)CCC1 ZINC001317509868 933606119 /nfs/dbraw/zinc/60/61/19/933606119.db2.gz QCBIDPZHLPJBSM-LSDHHAIUSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)C2CC(C)(C)C2)C1 ZINC001317519844 933609242 /nfs/dbraw/zinc/60/92/42/933609242.db2.gz VLQAWHCGSMEYAJ-CABCVRRESA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](CNC(=O)/C=C(\C)CC)C1 ZINC001317521119 933610322 /nfs/dbraw/zinc/61/03/22/933610322.db2.gz BHSIHAKUDDMTLQ-SROTWBRCSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@H+](CCNC(=O)c1ccc(Cl)c(C)c1)C1CC1 ZINC001317556098 933621028 /nfs/dbraw/zinc/62/10/28/933621028.db2.gz BFWKGOFCWNZRJG-UHFFFAOYSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)/C(C)=C/CC)C1 ZINC001317754505 933645475 /nfs/dbraw/zinc/64/54/75/933645475.db2.gz SOJWOUBQHQUCSQ-HTRKUNOGSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@]2(C)CC=CCC2)C1 ZINC001317790863 933650047 /nfs/dbraw/zinc/65/00/47/933650047.db2.gz WRUASRMTNJETIR-SJLPKXTDSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001317800479 933652822 /nfs/dbraw/zinc/65/28/22/933652822.db2.gz IJJURLZBZRJGFN-CVEARBPZSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](CCNC(=O)C[C@H](CC)C(C)C)C1 ZINC001317809631 933653926 /nfs/dbraw/zinc/65/39/26/933653926.db2.gz QMQGHDOTVUYYOI-HOTGVXAUSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C/C(C)=C/CC(=O)N1CC[C@@H](C[N@H+](C)CC(=C)Cl)C1 ZINC001317848880 933658522 /nfs/dbraw/zinc/65/85/22/933658522.db2.gz PXNZRPOZURRRSJ-NNSJBKGDSA-N 1 1 296.842 3.042 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001317864424 933658854 /nfs/dbraw/zinc/65/88/54/933658854.db2.gz USPVGRDSZCYJSX-FUHWJXTLSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CCC)C(C)C)C1 ZINC001317851966 933659568 /nfs/dbraw/zinc/65/95/68/933659568.db2.gz BOZQDPWKFGGLGE-IRXDYDNUSA-N 1 1 294.483 3.415 20 30 CGEDMO C=C(C)CC[N@H+](C)CC1CCN(C(=O)[C@H](C)C(C)C)CC1 ZINC001317880057 933661162 /nfs/dbraw/zinc/66/11/62/933661162.db2.gz PMDYKDIWGKPCQJ-MRXNPFEDSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC001317981559 933671991 /nfs/dbraw/zinc/67/19/91/933671991.db2.gz NICCZMOMPVGGDX-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CCCCCC[NH+]1CC(NC(=O)c2ccc(C=C)cc2)C1 ZINC001318063457 933680433 /nfs/dbraw/zinc/68/04/33/933680433.db2.gz RMJBHQXWQHIWMN-UHFFFAOYSA-N 1 1 298.430 3.490 20 30 CGEDMO COc1ccc(C[C@H](C)[N@@H+](C)CCCCC#N)cc1 ZINC001318241927 933699898 /nfs/dbraw/zinc/69/98/98/933699898.db2.gz YPUYRKNLDNNNSQ-AWEZNQCLSA-N 1 1 260.381 3.252 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[C@@H](CC)CCCC)C1 ZINC001318266828 933703798 /nfs/dbraw/zinc/70/37/98/933703798.db2.gz VBJZDRWPKKWJRQ-HOTGVXAUSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C/C(C)=C\CC(=O)N(C)[C@H]1CC[N@@H+](CCC(=C)C)C1 ZINC001318422314 933723315 /nfs/dbraw/zinc/72/33/15/933723315.db2.gz HPJFVGQSUOCAPF-UJPCXNRSSA-N 1 1 276.424 3.008 20 30 CGEDMO N#CCSCCC[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001319255142 933848466 /nfs/dbraw/zinc/84/84/66/933848466.db2.gz BJHBILBHKRADNN-KGLIPLIRSA-N 1 1 252.427 3.145 20 30 CGEDMO C=CCCCCCCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001467873811 937723039 /nfs/dbraw/zinc/72/30/39/937723039.db2.gz DYQNDMXRGUDCJM-INIZCTEOSA-N 1 1 280.456 3.361 20 30 CGEDMO C#CC[N@H+](Cc1cc(Cl)ccc1OC)CC1CC1 ZINC001319666067 933911263 /nfs/dbraw/zinc/91/12/63/933911263.db2.gz AVVGRMQILNPJTJ-UHFFFAOYSA-N 1 1 263.768 3.194 20 30 CGEDMO C[C@@H](C#N)C[N@H+](C)CCc1ccc(OC(F)(F)F)cc1 ZINC001319791838 933933005 /nfs/dbraw/zinc/93/30/05/933933005.db2.gz DYAIJUKVSDTGBH-NSHDSACASA-N 1 1 286.297 3.219 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](C)CCc1ccc(OC(F)(F)F)cc1 ZINC001319791838 933933011 /nfs/dbraw/zinc/93/30/11/933933011.db2.gz DYAIJUKVSDTGBH-NSHDSACASA-N 1 1 286.297 3.219 20 30 CGEDMO C#CC[N@H+](C)CCC1CCN(C(=O)CCCC(C)C)CC1 ZINC001319887676 933952805 /nfs/dbraw/zinc/95/28/05/933952805.db2.gz IFPSZRVQJMKRPW-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)c1c(C)cc(F)cc1C ZINC001320032983 933982484 /nfs/dbraw/zinc/98/24/84/933982484.db2.gz ILMONBQHYWJNEN-UHFFFAOYSA-N 1 1 292.398 3.022 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)c1cc(F)ccc1C ZINC001320029354 933983808 /nfs/dbraw/zinc/98/38/08/933983808.db2.gz XRJPXAHYWFRALZ-UHFFFAOYSA-N 1 1 292.398 3.104 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)C1CCC=CCC1 ZINC001320085913 933995452 /nfs/dbraw/zinc/99/54/52/933995452.db2.gz SSWIIUQRPKJRJE-MRXNPFEDSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCC(=C)C)C1 ZINC001320110032 934001667 /nfs/dbraw/zinc/00/16/67/934001667.db2.gz DQPREALBZKIMFS-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C[C@H](COC)[NH2+]Cc1cc(C(F)(F)F)ccc1F ZINC001320428309 934046894 /nfs/dbraw/zinc/04/68/94/934046894.db2.gz XHVNLNWGXZJBAK-LLVKDONJSA-N 1 1 277.261 3.135 20 30 CGEDMO CCOc1ccc2c(c1)C[N@@H+]([C@@H](C)CCC#N)CC2 ZINC001320670341 934083170 /nfs/dbraw/zinc/08/31/70/934083170.db2.gz JAXGQTSBBKSUFT-ZDUSSCGKSA-N 1 1 258.365 3.136 20 30 CGEDMO CCOC(=O)C[C@@H]1CCC[N@H+]1CCCCC(C)(C)C#N ZINC001320814774 934106930 /nfs/dbraw/zinc/10/69/30/934106930.db2.gz WWKPSCNXJRENIE-AWEZNQCLSA-N 1 1 280.412 3.124 20 30 CGEDMO N#CCc1cccc(NC[C@@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC001321277720 934172160 /nfs/dbraw/zinc/17/21/60/934172160.db2.gz MEZGRCLIKQTUEL-KRWDZBQOSA-N 1 1 298.434 3.357 20 30 CGEDMO CCCCCCCNC(=O)[C@H]1CCCC[N@H+]1CCC ZINC001470384356 937751966 /nfs/dbraw/zinc/75/19/66/937751966.db2.gz IFSOBVVKRNPXJF-OAHLLOKOSA-N 1 1 268.445 3.338 20 30 CGEDMO C=CCCC(=O)N[C@@H](C)C[N@@H+](C)Cc1cc(F)ccc1C ZINC001322118814 934246669 /nfs/dbraw/zinc/24/66/69/934246669.db2.gz BBRYDBPJLZWRBK-AWEZNQCLSA-N 1 1 292.398 3.037 20 30 CGEDMO C#CCOCC[N@H+](C)[C@@H](C)c1c(C)cc(C)cc1C ZINC001323093019 934364058 /nfs/dbraw/zinc/36/40/58/934364058.db2.gz CPAHHTBDLVRASP-INIZCTEOSA-N 1 1 259.393 3.254 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]1CNC(=O)C=C1CCCCC1 ZINC001323194156 934373711 /nfs/dbraw/zinc/37/37/11/934373711.db2.gz PGDKBETXZTVFQW-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CNC(=O)c1ccsc1Cl ZINC001323318895 934385318 /nfs/dbraw/zinc/38/53/18/934385318.db2.gz OUXQFCNKXDMBRN-NSHDSACASA-N 1 1 298.839 3.172 20 30 CGEDMO C#CCC[N@H+](CCNC(=O)CCCC)C1CCCCCC1 ZINC001323708272 934420572 /nfs/dbraw/zinc/42/05/72/934420572.db2.gz DPWJIYJZGATUBO-UHFFFAOYSA-N 1 1 292.467 3.341 20 30 CGEDMO N#CCCOCC[N@H+]1C[C@H]2CCCC[C@@]21c1ccccc1 ZINC001324266818 934478158 /nfs/dbraw/zinc/47/81/58/934478158.db2.gz NUOMNGRVPKSWLS-QZTJIDSGSA-N 1 1 284.403 3.318 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1cccc(CC)c1)C(C)C ZINC001324414925 934499511 /nfs/dbraw/zinc/49/95/11/934499511.db2.gz SGPMLYQBXKSIDJ-UHFFFAOYSA-N 1 1 260.381 3.084 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1cccc(CC)c1)C(C)C ZINC001324414925 934499515 /nfs/dbraw/zinc/49/95/15/934499515.db2.gz SGPMLYQBXKSIDJ-UHFFFAOYSA-N 1 1 260.381 3.084 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC ZINC001324533163 934519248 /nfs/dbraw/zinc/51/92/48/934519248.db2.gz NSYZJHFCRRJILW-CABCVRRESA-N 1 1 278.440 3.064 20 30 CGEDMO CCC[N@H+](Cc1ccc(C#N)cc1)CC1CCC(O)CC1 ZINC001324629996 934535557 /nfs/dbraw/zinc/53/55/57/934535557.db2.gz ISBLJRIJJWTWGV-UHFFFAOYSA-N 1 1 286.419 3.321 20 30 CGEDMO CC#CCCCC(=O)N[C@@]1(C)CC[N@H+](CC/C=C\CC)C1 ZINC001324640675 934537247 /nfs/dbraw/zinc/53/72/47/934537247.db2.gz FKUNNECFHSLRHQ-CNRGFGOASA-N 1 1 290.451 3.117 20 30 CGEDMO CC1(C)C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)[C@H]1C1CC1 ZINC001324648742 934539090 /nfs/dbraw/zinc/53/90/90/934539090.db2.gz HFXZCYVXYJMGDA-KRWDZBQOSA-N 1 1 297.402 3.007 20 30 CGEDMO C[C@@H](CNc1cc(F)ccc1C#N)[N@H+]1CCCC[C@H]1C ZINC001472657253 937779416 /nfs/dbraw/zinc/77/94/16/937779416.db2.gz KKSSEVIYHNBPCP-OLZOCXBDSA-N 1 1 275.371 3.372 20 30 CGEDMO C=CCCC[N@H+](CCc1ccccc1)CC(=O)OCC ZINC001473149726 937794280 /nfs/dbraw/zinc/79/42/80/937794280.db2.gz XDPMOLKMTHAGHN-UHFFFAOYSA-N 1 1 275.392 3.060 20 30 CGEDMO C=CCCC[N@@H+](CCc1ccccc1)CC(=O)OCC ZINC001473149726 937794282 /nfs/dbraw/zinc/79/42/82/937794282.db2.gz XDPMOLKMTHAGHN-UHFFFAOYSA-N 1 1 275.392 3.060 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@H](N2CCCCC2)C1 ZINC001473170722 937795277 /nfs/dbraw/zinc/79/52/77/937795277.db2.gz PGKHKNWZCXWHCK-SFHVURJKSA-N 1 1 297.446 3.235 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H](N2CCCCC2)C1 ZINC001473170722 937795278 /nfs/dbraw/zinc/79/52/78/937795278.db2.gz PGKHKNWZCXWHCK-SFHVURJKSA-N 1 1 297.446 3.235 20 30 CGEDMO CC[C@H](C)[C@H]1CCCC[N@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC001473180609 937796091 /nfs/dbraw/zinc/79/60/91/937796091.db2.gz ZAGWHTHLXHXOFZ-BMGDILEWSA-N 1 1 286.419 3.492 20 30 CGEDMO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1cc(C#N)ccn1 ZINC001473213635 937797710 /nfs/dbraw/zinc/79/77/10/937797710.db2.gz VZOMVIZPNYVILB-KBXCAEBGSA-N 1 1 277.371 3.331 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001473304817 937801491 /nfs/dbraw/zinc/80/14/91/937801491.db2.gz TXOHNPUIXNXRIT-HNNXBMFYSA-N 1 1 251.414 3.480 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1cc(-c2ccc(F)cc2)no1 ZINC001473378443 937803923 /nfs/dbraw/zinc/80/39/23/937803923.db2.gz GEBNMPVRLUBRFY-UHFFFAOYSA-N 1 1 272.323 3.324 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NC[C@]1(C)CCC[N@H+](C(C)C)C1 ZINC001324959045 934876076 /nfs/dbraw/zinc/87/60/76/934876076.db2.gz ZSUFINHDZBBGRZ-DLBZAZTESA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC2(C)C)C1 ZINC001324958440 934876233 /nfs/dbraw/zinc/87/62/33/934876233.db2.gz SXLHFFKKCXQEMT-CRAIPNDOSA-N 1 1 292.467 3.217 20 30 CGEDMO Cc1cc(NC(=O)C[C@H](CC#N)c2ccccc2)cc(C)[nH+]1 ZINC001325021517 934883485 /nfs/dbraw/zinc/88/34/85/934883485.db2.gz WWCFVQOPSHTJLL-INIZCTEOSA-N 1 1 293.370 3.146 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC(C)C)C2 ZINC001325338597 934905897 /nfs/dbraw/zinc/90/58/97/934905897.db2.gz DRBMFRFORLZDBH-ULQDDVLXSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](CC)CCC)C2 ZINC001325630589 934921042 /nfs/dbraw/zinc/92/10/42/934921042.db2.gz WNLJDWZMVSYYRV-NXOAAHMSSA-N 1 1 292.467 3.358 20 30 CGEDMO CCCCCCC[N@@H+]1C[C@H]2CN(C(=O)C3CCC3)C[C@H]2C1 ZINC001325715048 934924844 /nfs/dbraw/zinc/92/48/44/934924844.db2.gz CLCYDLXHTGIURW-CALCHBBNSA-N 1 1 292.467 3.147 20 30 CGEDMO C=CCC[N@H+]1C[C@H]2CN(C(=O)C[C@@H](CC)C(C)C)C[C@H]2C1 ZINC001325772117 934928469 /nfs/dbraw/zinc/92/84/69/934928469.db2.gz IVBTZZGBWDHKAM-ZACQAIPSSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC(C)(C)CC ZINC001325897858 934937988 /nfs/dbraw/zinc/93/79/88/934937988.db2.gz GTSXBAZRNIVMJF-HZPDHXFCSA-N 1 1 292.467 3.454 20 30 CGEDMO Cc1ccc2c(c1)C[N@H+](CCOc1ccccc1C#N)CC2 ZINC001473624456 937814484 /nfs/dbraw/zinc/81/44/84/937814484.db2.gz ZMAOTDLOMCHNBG-UHFFFAOYSA-N 1 1 292.382 3.304 20 30 CGEDMO C#CC[N@H+](CC[C@H](C)OCc1ccccc1)CC1CC1 ZINC001326220673 934959848 /nfs/dbraw/zinc/95/98/48/934959848.db2.gz VTOKIZFOAIQHJA-INIZCTEOSA-N 1 1 271.404 3.327 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](CCC2CC2)[C@H](C)C1 ZINC001328256980 935126905 /nfs/dbraw/zinc/12/69/05/935126905.db2.gz LIHCJAWGGQTWKY-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](NC(=O)CCCCCC(C)C)C[C@H]1C ZINC001328279513 935127699 /nfs/dbraw/zinc/12/76/99/935127699.db2.gz OQZQZWDFIKNLFG-SJORKVTESA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)c1ccc(C)s1 ZINC001329377554 935211106 /nfs/dbraw/zinc/21/11/06/935211106.db2.gz XKJZVOKUOAWPPZ-GFCCVEGCSA-N 1 1 280.437 3.073 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)c1ccoc1CC ZINC001329428818 935215262 /nfs/dbraw/zinc/21/52/62/935215262.db2.gz QZHYGCZQJAKRME-KGLIPLIRSA-N 1 1 292.423 3.247 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)CC(C)(C)C1CC1 ZINC001329431786 935215954 /nfs/dbraw/zinc/21/59/54/935215954.db2.gz OQTPNUJZGBZVLK-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@](C)(CC)CCC ZINC001329586524 935230935 /nfs/dbraw/zinc/23/09/35/935230935.db2.gz CIHRPNBEKHZOGI-GOEBONIOSA-N 1 1 268.445 3.215 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)C1(F)CCCCC1 ZINC001329589804 935231377 /nfs/dbraw/zinc/23/13/77/935231377.db2.gz SNWVOVUYNBSQFI-CQSZACIVSA-N 1 1 284.419 3.062 20 30 CGEDMO C=CC[N@H+](C)[C@H](C)CNC(=O)CC1CCC(C)(C)CC1 ZINC001329627777 935235527 /nfs/dbraw/zinc/23/55/27/935235527.db2.gz JJQJXDQOSSGJGO-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cc3c(cccc3C)[nH]2)C1 ZINC001330252962 935281223 /nfs/dbraw/zinc/28/12/23/935281223.db2.gz MTSXFRUDEVAHGM-HNNXBMFYSA-N 1 1 270.376 3.253 20 30 CGEDMO C#CC[N@H+](Cc1cc2ccncc2s1)CC1CC1 ZINC001330790327 935322494 /nfs/dbraw/zinc/32/24/94/935322494.db2.gz MAAPLSFWHZYZDV-UHFFFAOYSA-N 1 1 256.374 3.142 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC([N@@H+](C)CCC2CC2)CC1 ZINC001331028667 935343890 /nfs/dbraw/zinc/34/38/90/935343890.db2.gz JGCNHLUIAHLKES-UHFFFAOYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cc3c(cccc3O)s2)C1 ZINC001331992468 935431594 /nfs/dbraw/zinc/43/15/94/935431594.db2.gz ADEQICFFSYMBCJ-LBPRGKRZSA-N 1 1 289.400 3.384 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CCC[N@H+](CCC(C)C)[C@H]1C ZINC001332188235 935447508 /nfs/dbraw/zinc/44/75/08/935447508.db2.gz ZJGHBLYWGGRTPD-HOTGVXAUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2cnc(OC)c3ccccc23)C1 ZINC001333021485 935505284 /nfs/dbraw/zinc/50/52/84/935505284.db2.gz GEQXOUGFMPYFHB-OAHLLOKOSA-N 1 1 298.386 3.020 20 30 CGEDMO C=CCCC[N@H+](CC)[C@@H](C)c1nc(-c2cccnc2)no1 ZINC001333437097 935536173 /nfs/dbraw/zinc/53/61/73/935536173.db2.gz FWVGOJAWJDYXST-ZDUSSCGKSA-N 1 1 286.379 3.481 20 30 CGEDMO C/C(=C\c1ccccc1)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC001333718126 936058100 /nfs/dbraw/zinc/05/81/00/936058100.db2.gz FOIAWIUECGFVPO-ZGQXGDRLSA-N 1 1 283.419 3.008 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1C[C@@H](c2ccccc2)CC1=O ZINC001333724858 936059281 /nfs/dbraw/zinc/05/92/81/936059281.db2.gz JQOFIAMWIIVAKE-OKZBNKHCSA-N 1 1 296.414 3.143 20 30 CGEDMO N#Cc1ccc(-c2ccn(C[N@@H+]3CCC[C@@H](CF)C3)n2)cc1 ZINC001333808945 936067976 /nfs/dbraw/zinc/06/79/76/936067976.db2.gz UKFPQQOMZYBFSL-HNNXBMFYSA-N 1 1 298.365 3.061 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc([S@](C)=O)cc2)C1 ZINC001333986778 936078726 /nfs/dbraw/zinc/07/87/26/936078726.db2.gz FEKRALPPTXJFOT-KUHUBIRLSA-N 1 1 277.433 3.212 20 30 CGEDMO CC(C)CCC(N)=[NH+]OCc1ccc(C#N)s1 ZINC001334026835 936079806 /nfs/dbraw/zinc/07/98/06/936079806.db2.gz RXNBOVPLNXDGTH-UHFFFAOYSA-N 1 1 251.355 3.054 20 30 CGEDMO C=CC[C@H]1[N@@H+](Cc2nncs2)CCCC1(C)C ZINC001334207046 936090407 /nfs/dbraw/zinc/09/04/07/936090407.db2.gz NHFLQDUZWNJQHF-LLVKDONJSA-N 1 1 251.399 3.105 20 30 CGEDMO C=CC[C@H]1[N@H+](Cc2nncs2)CCCC1(C)C ZINC001334207046 936090412 /nfs/dbraw/zinc/09/04/12/936090412.db2.gz NHFLQDUZWNJQHF-LLVKDONJSA-N 1 1 251.399 3.105 20 30 CGEDMO C#CC[N@@H+](Cc1ncc(-c2cccs2)o1)CC1CC1 ZINC001335589220 936154896 /nfs/dbraw/zinc/15/48/96/936154896.db2.gz MQJOTOYTOGGAOH-UHFFFAOYSA-N 1 1 272.373 3.248 20 30 CGEDMO C#CC[N@H+](Cc1ncc(-c2cccs2)o1)CC1CC1 ZINC001335589220 936154897 /nfs/dbraw/zinc/15/48/97/936154897.db2.gz MQJOTOYTOGGAOH-UHFFFAOYSA-N 1 1 272.373 3.248 20 30 CGEDMO C=C(C)CCC(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC001335771447 936159184 /nfs/dbraw/zinc/15/91/84/936159184.db2.gz ANFAQAFMUJDKID-UHFFFAOYSA-N 1 1 288.435 3.499 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](CC[C@H]2CCCC2(F)F)C1 ZINC001336775973 936217523 /nfs/dbraw/zinc/21/75/23/936217523.db2.gz PIQWDCKRGZBRSS-OLZOCXBDSA-N 1 1 259.340 3.089 20 30 CGEDMO CS[C@H]1CC[C@@H]([N@@H+](C)Cc2cc(C#N)cs2)C1 ZINC001337042442 936233579 /nfs/dbraw/zinc/23/35/79/936233579.db2.gz MTIJCLHEONGLBY-NEPJUHHUSA-N 1 1 266.435 3.336 20 30 CGEDMO C[C@@H](Nc1ccc(C#N)nc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001337108668 936236826 /nfs/dbraw/zinc/23/68/26/936236826.db2.gz OEVWAJXTKNUVSR-KGLIPLIRSA-N 1 1 284.407 3.018 20 30 CGEDMO C#CC[C@H]1CC[N@H+](CCCOc2ccccc2C)C1 ZINC001473788607 937821939 /nfs/dbraw/zinc/82/19/39/937821939.db2.gz PXYLEUZNTGOVFT-INIZCTEOSA-N 1 1 257.377 3.109 20 30 CGEDMO C#CC[N@@H+](CC(=O)Nc1ccc(C)cc1Cl)C(C)(C)C ZINC001473808821 937822697 /nfs/dbraw/zinc/82/26/97/937822697.db2.gz JSXZMZUHWGGFBG-UHFFFAOYSA-N 1 1 292.810 3.321 20 30 CGEDMO C#CC[N@H+](CC(=O)Nc1ccc(C)cc1Cl)C(C)(C)C ZINC001473808821 937822699 /nfs/dbraw/zinc/82/26/99/937822699.db2.gz JSXZMZUHWGGFBG-UHFFFAOYSA-N 1 1 292.810 3.321 20 30 CGEDMO CCC[C@@H]1CCC[N@H+]1CCOc1ccc(C#N)cc1OC ZINC001473859876 937825347 /nfs/dbraw/zinc/82/53/47/937825347.db2.gz YRXQKNCAMBSPFL-OAHLLOKOSA-N 1 1 288.391 3.210 20 30 CGEDMO C=CCCC[N@H+](CC)[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC001473861656 937825647 /nfs/dbraw/zinc/82/56/47/937825647.db2.gz GJQSAJPXUAGBJG-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO N#Cc1csc(C[NH2+]C/C=C\c2ccc(F)c(F)c2)n1 ZINC001474281344 937848318 /nfs/dbraw/zinc/84/83/18/937848318.db2.gz DCCAVAKIPAPRNI-UPHRSURJSA-N 1 1 291.326 3.096 20 30 CGEDMO C=CC[N@H+](CCSc1ccc(OC)cc1)C1CC1 ZINC001474428025 937859025 /nfs/dbraw/zinc/85/90/25/937859025.db2.gz PXXZIEMJXMGECG-UHFFFAOYSA-N 1 1 263.406 3.438 20 30 CGEDMO C=CCC[C@H]([NH2+][C@@H](C)CCC(C)C)C(=O)OCC ZINC001474528870 937864800 /nfs/dbraw/zinc/86/48/00/937864800.db2.gz YYDLLKSWNJBFAF-KBPBESRZSA-N 1 1 255.402 3.299 20 30 CGEDMO C[C@H](CC(C)(C)C#N)[NH2+]Cc1nc2ccccc2o1 ZINC001474715920 937876761 /nfs/dbraw/zinc/87/67/61/937876761.db2.gz WHAVVPHHMBUXKO-LLVKDONJSA-N 1 1 257.337 3.246 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC001479094522 937916139 /nfs/dbraw/zinc/91/61/39/937916139.db2.gz XKCMGJNBFBHTIH-CABCVRRESA-N 1 1 295.471 3.103 20 30 CGEDMO CCCCCCCCCN(C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1C ZINC001479378606 937920314 /nfs/dbraw/zinc/92/03/14/937920314.db2.gz ZETLYVXYRMROPW-HOTGVXAUSA-N 1 1 297.487 3.471 20 30 CGEDMO C=C/C(C)=C/CC(=O)N[C@H]1CC[N@@H+](CCC(=C)C)[C@@H]1C ZINC001479715787 937924140 /nfs/dbraw/zinc/92/41/40/937924140.db2.gz HSJPBMJFKDCBIG-RBBJEVKSSA-N 1 1 276.424 3.054 20 30 CGEDMO C=CCC[N@@H+](C)CCCNC(=O)c1cc(Cl)cs1 ZINC001479800806 937925908 /nfs/dbraw/zinc/92/59/08/937925908.db2.gz WDWYQRXCPAIAJT-UHFFFAOYSA-N 1 1 286.828 3.029 20 30 CGEDMO C=CCCC[N@@H+](C)CCCNC(=O)c1cc2ccccc2[nH]1 ZINC001479813110 937926382 /nfs/dbraw/zinc/92/63/82/937926382.db2.gz WSQGJMCRBQBMQI-UHFFFAOYSA-N 1 1 299.418 3.186 20 30 CGEDMO C#CCC1(C(=O)NCCC[N@H+](CC)CCC)CCCCC1 ZINC001479862303 937927417 /nfs/dbraw/zinc/92/74/17/937927417.db2.gz LYOALYWAVZIFAQ-UHFFFAOYSA-N 1 1 292.467 3.198 20 30 CGEDMO C=CCC1(C(=O)NCCC[N@H+](CC)C(C)C)CCCC1 ZINC001479862799 937927455 /nfs/dbraw/zinc/92/74/55/937927455.db2.gz VNTMOOPEFGOIKF-UHFFFAOYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CC[N@@H+](CCCNC(=O)[C@H]1CC=CCC1)C1CC1 ZINC001479864240 937927925 /nfs/dbraw/zinc/92/79/25/937927925.db2.gz SBNPDIRILLQICB-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)CC[N@@H+](CCCNC(=O)[C@]1(C)C=CCC1)C1CC1 ZINC001479873312 937928150 /nfs/dbraw/zinc/92/81/50/937928150.db2.gz BOULSSIOVLAMJX-GOSISDBHSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001479907720 937929214 /nfs/dbraw/zinc/92/92/14/937929214.db2.gz BFSOZCCDEPEFLT-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)C2(C)CC=CC2)C1 ZINC001480084226 937932085 /nfs/dbraw/zinc/93/20/85/937932085.db2.gz JRRNQLVDLJALBG-INIZCTEOSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=C)C ZINC001480181224 937933697 /nfs/dbraw/zinc/93/36/97/937933697.db2.gz QVIBDINPPWXREU-MQVJKMGUSA-N 1 1 276.424 3.030 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCCCCC)C1 ZINC001480189711 937933818 /nfs/dbraw/zinc/93/38/18/937933818.db2.gz QZEGONGDKBAQOI-IAGOWNOFSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@](C)(C=C)CC)C1 ZINC001480263061 937935146 /nfs/dbraw/zinc/93/51/46/937935146.db2.gz QTPLZNRFOBWUCM-FUHWJXTLSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H](CNC(=O)C2CC=CC2)C1 ZINC001480249567 937935265 /nfs/dbraw/zinc/93/52/65/937935265.db2.gz WVFJEWKWWPHCAO-HZPDHXFCSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)/C=C(/C)CC ZINC001480317614 937936058 /nfs/dbraw/zinc/93/60/58/937936058.db2.gz NQPSAHOLKYMCCW-UGEDRFTOSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2(CC)CC2)C1 ZINC001480383079 937937614 /nfs/dbraw/zinc/93/76/14/937937614.db2.gz MNCDPGKVAXFALH-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C2(CCC)CCC2)C1 ZINC001480732131 937942762 /nfs/dbraw/zinc/94/27/62/937942762.db2.gz AQPIYYVDZIUUSU-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC1(C(=O)N2CCC[C@@H]([N@@H+](C)CCCF)C2)CCC1 ZINC001480734293 937943042 /nfs/dbraw/zinc/94/30/42/937943042.db2.gz CIZQVPUQPUUJNQ-OAHLLOKOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)C[C@H](C)SC ZINC001480820019 937944931 /nfs/dbraw/zinc/94/49/31/937944931.db2.gz DYSSVKQPLQSQNH-LSDHHAIUSA-N 1 1 298.496 3.065 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC12CCC2 ZINC001480830160 937945753 /nfs/dbraw/zinc/94/57/53/937945753.db2.gz TXTDBWPGUIKZDP-HOTGVXAUSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CC=C)c1ccccc1 ZINC001493159041 937948013 /nfs/dbraw/zinc/94/80/13/937948013.db2.gz AKFNAMMPZLYXIO-QZTJIDSGSA-N 1 1 298.430 3.113 20 30 CGEDMO C=C(C)C[N@@H+](CCC)CCNC(=O)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001493334659 937949405 /nfs/dbraw/zinc/94/94/05/937949405.db2.gz WMLQTBDMMIESDA-FVQHAEBGSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CC=C(C)C ZINC001493920333 937952223 /nfs/dbraw/zinc/95/22/23/937952223.db2.gz ALGMKJQYTZRNGC-ZACQAIPSSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)[C@H](CC)CCC)C1 ZINC001494066185 937952949 /nfs/dbraw/zinc/95/29/49/937952949.db2.gz JARWXRJCXMCZJH-JKSUJKDBSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](CCNC(=O)CC(C)(C)C2CC2)C1 ZINC001494014656 937953181 /nfs/dbraw/zinc/95/31/81/937953181.db2.gz XOZULCSQVGNRJS-HNNXBMFYSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CCNC(=O)[C@]2(C)CC=CCC2)C1 ZINC001494018819 937953187 /nfs/dbraw/zinc/95/31/87/937953187.db2.gz PNHWGMNGIOTQNW-FUHWJXTLSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCCC(=O)N[C@H]1CCC[N@H+](CCCCCC)C1 ZINC001494312754 937954327 /nfs/dbraw/zinc/95/43/27/937954327.db2.gz VOCJHEWROMJWTQ-HNNXBMFYSA-N 1 1 266.429 3.114 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)CCCCC ZINC001494674330 937955677 /nfs/dbraw/zinc/95/56/77/937955677.db2.gz GEFPCDRJCGTTIC-JYJNAYRXSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)CCCCC ZINC001494674330 937955678 /nfs/dbraw/zinc/95/56/78/937955678.db2.gz GEFPCDRJCGTTIC-JYJNAYRXSA-N 1 1 278.440 3.064 20 30 CGEDMO C#CCCCC(=O)N(C)[C@H]1CC[N@@H+](CCCC(C)(C)C)C1 ZINC001494822073 937956615 /nfs/dbraw/zinc/95/66/15/937956615.db2.gz JXWODTVBFVTVRW-INIZCTEOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)[C@@]1(C)CCC(C)=C(C)C1 ZINC001496844016 937964405 /nfs/dbraw/zinc/96/44/05/937964405.db2.gz NWSKALQTGWCJAV-SFHVURJKSA-N 1 1 292.467 3.479 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)c1cccc(F)c1C ZINC001498288896 937968783 /nfs/dbraw/zinc/96/87/83/937968783.db2.gz OKKHVSAVWTXRLS-CYBMUJFWSA-N 1 1 292.398 3.150 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H](C)C[N@H+](C)CCCC(C)C ZINC001498355422 937969141 /nfs/dbraw/zinc/96/91/41/937969141.db2.gz LVBICEATMHSARO-AWEZNQCLSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CCC(C)(C)C(=O)NC[C@@H]1CC[N@H+]1CC1CCCCC1 ZINC001499070769 937972185 /nfs/dbraw/zinc/97/21/85/937972185.db2.gz FCJXPJASVXPRAF-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H]1CNC(=O)C1(C)CCC1 ZINC001499036545 937972311 /nfs/dbraw/zinc/97/23/11/937972311.db2.gz FLRLYOHFJFBLGJ-OAHLLOKOSA-N 1 1 280.456 3.338 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCCCC)C2)C1 ZINC001499564017 937974047 /nfs/dbraw/zinc/97/40/47/937974047.db2.gz OCNQQSQWOOPCMO-GOSISDBHSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCF ZINC001500149851 937976059 /nfs/dbraw/zinc/97/60/59/937976059.db2.gz ZOENNEPUOGFLOF-CABCVRRESA-N 1 1 296.430 3.014 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCCN(C(=O)CCC)[C@@H]2C1 ZINC001501407595 937979457 /nfs/dbraw/zinc/97/94/57/937979457.db2.gz DTMOSGIDQWBHTG-OWCLPIDISA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC(C)C ZINC001501396538 937979611 /nfs/dbraw/zinc/97/96/11/937979611.db2.gz WLORGMCJZXORKG-IAGOWNOFSA-N 1 1 292.467 3.454 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](CCC)C(C)C)CC1 ZINC001502139017 937981375 /nfs/dbraw/zinc/98/13/75/937981375.db2.gz ZOKLAFJLUYIPKY-DLBZAZTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)C[C@@H]1CCC[C@H]1C ZINC001502335807 937981805 /nfs/dbraw/zinc/98/18/05/937981805.db2.gz AVQKAASENQCQNS-CVEARBPZSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N[C@@H]1CC[N@@H+](CC2CC2)CC1(C)C ZINC001502831763 937983435 /nfs/dbraw/zinc/98/34/35/937983435.db2.gz DOSNZIMKYZBCOG-GOEBONIOSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)CC1CCCCC1 ZINC001505419627 937985183 /nfs/dbraw/zinc/98/51/83/937985183.db2.gz RRLGZYUZEAYGIK-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)c1ccccc1CC ZINC001505990556 937988376 /nfs/dbraw/zinc/98/83/76/937988376.db2.gz GNBJNMOKVYHTMZ-HNNXBMFYSA-N 1 1 288.435 3.265 20 30 CGEDMO C=CC1(CC(=O)NC[C@H](C)[N@H+](C)CCC)CCCCC1 ZINC001506020196 937988494 /nfs/dbraw/zinc/98/84/94/937988494.db2.gz XZIULYAYOHBUMG-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)c1cccc2ccccc21 ZINC001506049461 937989002 /nfs/dbraw/zinc/98/90/02/937989002.db2.gz BJVXFEBRKFZEKK-OAHLLOKOSA-N 1 1 296.414 3.466 20 30 CGEDMO C=CCC(C)(C)C(=O)N1C[C@]2(C)C[N@H+](CCC)C[C@]2(C)C1 ZINC001506869499 937992114 /nfs/dbraw/zinc/99/21/14/937992114.db2.gz WZBBVEJULCQKJO-HDICACEKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCCCC(=O)N1CC2(C1)CCC[N@H+](CCC(C)C)C2 ZINC001506864312 937992144 /nfs/dbraw/zinc/99/21/44/937992144.db2.gz CZCOXPNJLCCTSS-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[N@@H+]1C[C@@]2(C)CN(C(=O)/C=C(\C)CC)C[C@@]2(C)C1 ZINC001506867404 937992264 /nfs/dbraw/zinc/99/22/64/937992264.db2.gz LQQKBBVUNIBLJP-UGCAKRBFSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)CCCC)CCC[C@@H]12 ZINC001507336556 937995067 /nfs/dbraw/zinc/99/50/67/937995067.db2.gz SYOHBNUOEGOHQQ-HIFRSBDPSA-N 1 1 284.831 3.042 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)CCCC)CCC[C@@H]12 ZINC001507336556 937995068 /nfs/dbraw/zinc/99/50/68/937995068.db2.gz SYOHBNUOEGOHQQ-HIFRSBDPSA-N 1 1 284.831 3.042 20 30 CGEDMO N#Cc1cc(Cl)nc(NCC[NH+]2Cc3ccccc3C2)c1 ZINC001515406208 938005964 /nfs/dbraw/zinc/00/59/64/938005964.db2.gz HAJQNUJMCVWTOL-UHFFFAOYSA-N 1 1 298.777 3.034 20 30 CGEDMO C#CC[N@H+](C[Si](C)(C)C)[C@@H]1CCc2ccccc21 ZINC001559499493 938227733 /nfs/dbraw/zinc/22/77/33/938227733.db2.gz VLDSXHZLVMOSAU-MRXNPFEDSA-N 1 1 257.453 3.487 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CCC[C@H](C(=O)NCCCCCC)C1 ZINC001559509085 938227882 /nfs/dbraw/zinc/22/78/82/938227882.db2.gz PMVVBNIAEIMUEQ-IRXDYDNUSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC[C@H](C(=O)OC)[N@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC001559548846 938229155 /nfs/dbraw/zinc/22/91/55/938229155.db2.gz YZNNPANRBIDIGZ-XNRPHZJLSA-N 1 1 291.366 3.121 20 30 CGEDMO C#CCOCC[N@H+](C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC001559562617 938229860 /nfs/dbraw/zinc/22/98/60/938229860.db2.gz GJVOIFRWMPHJPC-QZTJIDSGSA-N 1 1 271.404 3.213 20 30 CGEDMO C=C(C)CC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1C ZINC001559690059 938232985 /nfs/dbraw/zinc/23/29/85/938232985.db2.gz DRGCZKKRLCULTR-KBPBESRZSA-N 1 1 282.428 3.282 20 30 CGEDMO CCCCCCCCCC[N@@H+]1CCC[C@@H](O)[C@@H]1C(=O)OC ZINC001559752665 938234615 /nfs/dbraw/zinc/23/46/15/938234615.db2.gz DMDLCUDWZFJBDB-HZPDHXFCSA-N 1 1 299.455 3.125 20 30 CGEDMO CCCCCCCCCC[N@H+]1CCC[C@@H](O)[C@@H]1C(=O)OC ZINC001559752665 938234616 /nfs/dbraw/zinc/23/46/16/938234616.db2.gz DMDLCUDWZFJBDB-HZPDHXFCSA-N 1 1 299.455 3.125 20 30 CGEDMO C=CC[C@@H]1[N@H+](CC(=O)Nc2ccccn2)CCCC1(C)C ZINC001559797652 938236068 /nfs/dbraw/zinc/23/60/68/938236068.db2.gz VUUSJAINVZNOCZ-AWEZNQCLSA-N 1 1 287.407 3.087 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](CCOc2ccccc2C#N)C1 ZINC001559983227 938241066 /nfs/dbraw/zinc/24/10/66/938241066.db2.gz KXMXYRWZOHXKKX-HNNXBMFYSA-N 1 1 270.376 3.225 20 30 CGEDMO CC(C)[C@](O)(C[N@H+]1CCC[C@H](CC#N)C1)c1ccccc1 ZINC001559991376 938241180 /nfs/dbraw/zinc/24/11/80/938241180.db2.gz RNPDXKZRYAQOKW-SJLPKXTDSA-N 1 1 286.419 3.156 20 30 CGEDMO C=CC[N@H+](Cc1cccc(OCCC)c1)[C@H](C)COC ZINC001559993140 938241362 /nfs/dbraw/zinc/24/13/62/938241362.db2.gz QIALSESWHFVZGH-OAHLLOKOSA-N 1 1 277.408 3.498 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001560027222 938242302 /nfs/dbraw/zinc/24/23/02/938242302.db2.gz WKEKLAZXFVAXSQ-OAHLLOKOSA-N 1 1 258.409 3.459 20 30 CGEDMO C[C@H]1CN(CC2CCC(C#N)CC2)CC[N@H+]1C1CCCC1 ZINC001560145466 938245101 /nfs/dbraw/zinc/24/51/01/938245101.db2.gz KUCXIYDXDPLNCO-GTPINHCMSA-N 1 1 289.467 3.265 20 30 CGEDMO C[C@H]1C[N@H+](CC2CCC(C#N)CC2)CCN1C1CCCC1 ZINC001560145466 938245102 /nfs/dbraw/zinc/24/51/02/938245102.db2.gz KUCXIYDXDPLNCO-GTPINHCMSA-N 1 1 289.467 3.265 20 30 CGEDMO C[C@H]1C[N@@H+](CC2CCC(C#N)CC2)CCN1C1CCCC1 ZINC001560145466 938245103 /nfs/dbraw/zinc/24/51/03/938245103.db2.gz KUCXIYDXDPLNCO-GTPINHCMSA-N 1 1 289.467 3.265 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1CCc1csc(C)n1 ZINC001560199677 938246676 /nfs/dbraw/zinc/24/66/76/938246676.db2.gz AQZVJXOELVPYNO-AWEZNQCLSA-N 1 1 250.411 3.425 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1nc([C@H](C)OCC)no1 ZINC001560200336 938246687 /nfs/dbraw/zinc/24/66/87/938246687.db2.gz UCEAIJTUDGTPDI-STQMWFEESA-N 1 1 279.384 3.098 20 30 CGEDMO C=CCCC[N@H+](CC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC001560204732 938247042 /nfs/dbraw/zinc/24/70/42/938247042.db2.gz XQIMGHJHSKDTHL-UHFFFAOYSA-N 1 1 278.352 3.392 20 30 CGEDMO C#C[C@H]1CCCC[N@@H+]1Cc1cc(=O)oc2cc(CC)ccc12 ZINC001560209362 938247413 /nfs/dbraw/zinc/24/74/13/938247413.db2.gz NZFUUBUWZMEWRK-INIZCTEOSA-N 1 1 295.382 3.343 20 30 CGEDMO Cc1cc(C[NH2+][C@@H](C)CC#N)cc(C)c1OC(F)F ZINC001560575063 938263778 /nfs/dbraw/zinc/26/37/78/938263778.db2.gz YACKGRKVDFXTHZ-NSHDSACASA-N 1 1 268.307 3.297 20 30 CGEDMO C#CC[N@@H+](CC#CC)Cc1ccc(C(F)(F)F)cc1C ZINC001560687026 938270273 /nfs/dbraw/zinc/27/02/73/938270273.db2.gz FTZYHMATGASQHB-UHFFFAOYSA-N 1 1 279.305 3.472 20 30 CGEDMO C#CC[N@H+](CC#CC)Cc1ccc(C(F)(F)F)cc1C ZINC001560687026 938270274 /nfs/dbraw/zinc/27/02/74/938270274.db2.gz FTZYHMATGASQHB-UHFFFAOYSA-N 1 1 279.305 3.472 20 30 CGEDMO Cc1cc(Cl)nc(C[NH2+]Cc2ccc(C#N)c(F)c2)c1 ZINC001560780507 938275490 /nfs/dbraw/zinc/27/54/90/938275490.db2.gz IGJMVSMHPGMTGO-UHFFFAOYSA-N 1 1 289.741 3.344 20 30 CGEDMO C#CCC[N@H+]1CCC[C@@H](c2nnc(C3CCCCC3)[nH]2)C1 ZINC000777807716 958801264 /nfs/dbraw/zinc/80/12/64/958801264.db2.gz LCZLVYJXFWLCKB-OAHLLOKOSA-N 1 1 286.423 3.055 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000777807716 958801274 /nfs/dbraw/zinc/80/12/74/958801274.db2.gz LCZLVYJXFWLCKB-OAHLLOKOSA-N 1 1 286.423 3.055 20 30 CGEDMO C#CCC[N@H+]1CCC[C@@H](c2nc(C3CCCCC3)n[nH]2)C1 ZINC000777807716 958801293 /nfs/dbraw/zinc/80/12/93/958801293.db2.gz LCZLVYJXFWLCKB-OAHLLOKOSA-N 1 1 286.423 3.055 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)C[C@H](CC)C(C)(C)C ZINC001569146566 960453353 /nfs/dbraw/zinc/45/33/53/960453353.db2.gz HQVXVGIHCXVSMQ-GJZGRUSLSA-N 1 1 282.472 3.461 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)CCCC)CC1 ZINC001570175562 960453924 /nfs/dbraw/zinc/45/39/24/960453924.db2.gz XDUPBCFZHPLQFE-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)CCC(C)C)[C@@H]1C ZINC001571515543 960465848 /nfs/dbraw/zinc/46/58/48/960465848.db2.gz TWSOXBMUWUVZFA-JKSUJKDBSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)CCCNC(=O)C(C)=C1CCC1 ZINC001566548514 960558947 /nfs/dbraw/zinc/55/89/47/960558947.db2.gz DCVDTSCAQOMWNB-UHFFFAOYSA-N 1 1 284.831 3.068 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)C ZINC001565831266 960840665 /nfs/dbraw/zinc/84/06/65/960840665.db2.gz DCDRZXQLLZYXPL-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@](C)(CC)CCC)[C@H]1CC ZINC001566024915 960863080 /nfs/dbraw/zinc/86/30/80/960863080.db2.gz ZFLBDYDHKQZDSH-LZLYRXPVSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CC[N@H+](C)CCCNC(=O)C[C@@H](C)CC(C)(C)C ZINC001566494218 960941109 /nfs/dbraw/zinc/94/11/09/960941109.db2.gz KXWJWVIYIZVANI-CQSZACIVSA-N 1 1 268.445 3.073 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)[C@]1(C)CCC[C@@H]1CC)C1CC1 ZINC001566589998 960958643 /nfs/dbraw/zinc/95/86/43/960958643.db2.gz IUHPXIIUQXEQAM-MAUKXSAKSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)C2(CF)CCC2)C1 ZINC001566629315 960973988 /nfs/dbraw/zinc/97/39/88/960973988.db2.gz YNQCILPQMZEOLA-LSDHHAIUSA-N 1 1 296.430 3.062 20 30 CGEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)C[C@H](C)CCCCC)C1 ZINC001566878152 961036793 /nfs/dbraw/zinc/03/67/93/961036793.db2.gz MYCTXGLYSXPFST-SJORKVTESA-N 1 1 292.467 3.054 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)C(C)C)C1 ZINC001566879092 961049998 /nfs/dbraw/zinc/04/99/98/961049998.db2.gz YKLUGTXSNVUXSR-CVEARBPZSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)CCCC ZINC001566971837 961085367 /nfs/dbraw/zinc/08/53/67/961085367.db2.gz NGRDHZRLHNWFEO-SMLCLMEVSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCC[C@H]([N@H+](C)CC[C@H](C)F)C1 ZINC001567192456 961128524 /nfs/dbraw/zinc/12/85/24/961128524.db2.gz ADGICKPLGWFYIU-GJZGRUSLSA-N 1 1 298.446 3.260 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)C(C)C)C1 ZINC001567200259 961138153 /nfs/dbraw/zinc/13/81/53/961138153.db2.gz UEGGLTUQVZUQRQ-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC2(C)C)C1 ZINC001567196779 961138570 /nfs/dbraw/zinc/13/85/70/961138570.db2.gz QFURQWVQJRSZHQ-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)C1(C)CCCC1 ZINC001567257597 961152899 /nfs/dbraw/zinc/15/28/99/961152899.db2.gz PIPFHIPGNMXORT-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)CCC(=O)NC[C@H]1CC[N@H+](CC(CC)CC)C1 ZINC001567403589 961329389 /nfs/dbraw/zinc/32/93/89/961329389.db2.gz RPHDBXSNLQDGOI-MRXNPFEDSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC[N@@H+](CCC)CCNC(=O)c1csc(Cl)c1 ZINC001567435028 961340639 /nfs/dbraw/zinc/34/06/39/961340639.db2.gz YIBLNXMYBTVCJV-UHFFFAOYSA-N 1 1 286.828 3.029 20 30 CGEDMO C=CCC[N@@H+](CCC)CCNC(=O)c1cc(C)cc(C)c1 ZINC001567431645 961341796 /nfs/dbraw/zinc/34/17/96/961341796.db2.gz MREYILKGZZSWMB-UHFFFAOYSA-N 1 1 288.435 3.321 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)[C@@H](C)c1ccsc1)C1CC1 ZINC001567448925 961357312 /nfs/dbraw/zinc/35/73/12/961357312.db2.gz KTILMLDRTSWCMP-ZDUSSCGKSA-N 1 1 292.448 3.008 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1)C(C)C ZINC001567645113 961383509 /nfs/dbraw/zinc/38/35/09/961383509.db2.gz JNMQXHGIPMYUAC-BRWVUGGUSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CCC)C(=O)CC2(C)CC2)C1 ZINC001567685159 961394851 /nfs/dbraw/zinc/39/48/51/961394851.db2.gz APLAZTLWSHFMRB-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](CCNC(=O)C=C2CCC2)C1 ZINC001567697268 961403481 /nfs/dbraw/zinc/40/34/81/961403481.db2.gz ZHZDYYCEOGLYBE-WBVHZDCISA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](CCNC(=O)c2sccc2C)C1 ZINC001567691799 961407654 /nfs/dbraw/zinc/40/76/54/961407654.db2.gz WWWSVGKCBDOWSX-AWEZNQCLSA-N 1 1 292.448 3.074 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)[C@@]2(C)C=CCC2)C1 ZINC001567706248 961409814 /nfs/dbraw/zinc/40/98/14/961409814.db2.gz WFTZRRWGZLJTBF-WMZOPIPTSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC23CCCC3)C1 ZINC001567689222 961410020 /nfs/dbraw/zinc/41/00/20/961410020.db2.gz RLYPMOHMEABJPD-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@@H]1CCN(C(=O)C2CCC2)C1 ZINC001567722534 961414617 /nfs/dbraw/zinc/41/46/17/961414617.db2.gz MZISJNJPIAFBOC-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)C(CC)CC)C1 ZINC001567731224 961419233 /nfs/dbraw/zinc/41/92/33/961419233.db2.gz JWBBXBXICWUTTC-JKSUJKDBSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CCC[N@@H+](CC2CC3(CCC3)C2)C1 ZINC001567760231 961422274 /nfs/dbraw/zinc/42/22/74/961422274.db2.gz FICSYDHRCFWQNB-MRXNPFEDSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CC/C=C\CC)C1 ZINC001567765314 961425104 /nfs/dbraw/zinc/42/51/04/961425104.db2.gz RKYTYCFLCFSWSR-ZPIQOJFGSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC001567874386 961454685 /nfs/dbraw/zinc/45/46/85/961454685.db2.gz VKJIUZDOGSOIKA-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C2(C)CCC2)C1 ZINC001567918404 961462289 /nfs/dbraw/zinc/46/22/89/961462289.db2.gz GTHGJFARZURXGR-LSDHHAIUSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H](C)CC(C)(C)C)C1 ZINC001567922719 961462398 /nfs/dbraw/zinc/46/23/98/961462398.db2.gz XZHAGEQVMSOODZ-LSDHHAIUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H](CC)C(C)C)C1 ZINC001567925849 961463151 /nfs/dbraw/zinc/46/31/51/961463151.db2.gz UXVRDANYCHOWCS-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)C2(C3CC3)CC2)C1 ZINC001567914790 961467527 /nfs/dbraw/zinc/46/75/27/961467527.db2.gz XLLWEVBWMCQALI-GOEBONIOSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CC[C@@H](C)C2)CC1 ZINC001568439302 961573142 /nfs/dbraw/zinc/57/31/42/961573142.db2.gz OHXBPCOOWQMWKX-NVXWUHKLSA-N 1 1 292.467 3.169 20 30 CGEDMO C#CCCCCC(=O)N(C)CC[N@@H+](C)CC1=CCCCC1 ZINC001568478553 961591486 /nfs/dbraw/zinc/59/14/86/961591486.db2.gz FEMADVJDBKOBEQ-UHFFFAOYSA-N 1 1 290.451 3.071 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)c1c(C)cc(C)cc1C ZINC001568504115 961606188 /nfs/dbraw/zinc/60/61/88/961606188.db2.gz VBTGMXUFRJUXTI-UHFFFAOYSA-N 1 1 288.435 3.192 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)C[C@H]1CC=CCC1 ZINC001569133882 961697519 /nfs/dbraw/zinc/69/75/19/961697519.db2.gz WXQZUKWEETWTSA-CVEARBPZSA-N 1 1 278.440 3.136 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]1CNC(=O)C=C1CCC1 ZINC001569353583 961736782 /nfs/dbraw/zinc/73/67/82/961736782.db2.gz GSLRVILTHNGXGR-INIZCTEOSA-N 1 1 278.440 3.258 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)CC ZINC001569444583 961767500 /nfs/dbraw/zinc/76/75/00/961767500.db2.gz DPCLQLZGQYQVHN-BBWFWOEESA-N 1 1 292.467 3.454 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC ZINC001569461948 961769335 /nfs/dbraw/zinc/76/93/35/961769335.db2.gz PBIFFFMHZROEAS-HRCADAONSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CCCCC(=O)N1CC[C@]2(CC[N@H+](CCCC=C)C2)C1 ZINC001569478162 961776588 /nfs/dbraw/zinc/77/65/88/961776588.db2.gz GDIQQBZBUNNTEG-SFHVURJKSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCCCC)C2)C1 ZINC001569465042 961783366 /nfs/dbraw/zinc/78/33/66/961783366.db2.gz ZLQHLFMZFPEGPS-QGZVFWFLSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)C2(F)CCCC2)C1 ZINC001569716705 961830816 /nfs/dbraw/zinc/83/08/16/961830816.db2.gz VHAOWHWUIQQCQS-INIZCTEOSA-N 1 1 296.430 3.063 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H](CC)CCCC)CC1 ZINC001570171609 961914318 /nfs/dbraw/zinc/91/43/18/961914318.db2.gz YURJQUAZRSFGMY-SJORKVTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[N@H+](C[C@@H](F)CC)CC1 ZINC001570181027 961917931 /nfs/dbraw/zinc/91/79/31/961917931.db2.gz BHIGPEPOQVQZNT-LSDHHAIUSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CC[C@H](C)F)CC1 ZINC001570183458 961921252 /nfs/dbraw/zinc/92/12/52/961921252.db2.gz LDUFSCFOUONRLE-LSDHHAIUSA-N 1 1 298.446 3.308 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](CC)CCC)C2 ZINC001570275057 961943135 /nfs/dbraw/zinc/94/31/35/961943135.db2.gz OPVWAORQDXZYAX-SJLPKXTDSA-N 1 1 292.467 3.313 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)C(C)(CC)CC)C(C)(C)C1 ZINC001570400439 961955926 /nfs/dbraw/zinc/95/59/26/961955926.db2.gz ZGGAANPKEXRRHL-HNNXBMFYSA-N 1 1 292.467 3.053 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)CC(C)(C)C)C[C@@H]1C ZINC001570449694 961969237 /nfs/dbraw/zinc/96/92/37/961969237.db2.gz TVRCDUWEQGVPCT-LSDHHAIUSA-N 1 1 292.467 3.051 20 30 CGEDMO C#CCCCC(=O)N1CCC[C@@H]1C[N@H+](C)CCCC(C)C ZINC001570530080 961993594 /nfs/dbraw/zinc/99/35/94/961993594.db2.gz CWZJTKCEAYFJSZ-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)c1ccc(Cl)cc1 ZINC001570734075 962054801 /nfs/dbraw/zinc/05/48/01/962054801.db2.gz MGKHCTMWJSSTOC-STQMWFEESA-N 1 1 294.826 3.066 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)c1ccc(CF)cc1 ZINC001570753615 962074656 /nfs/dbraw/zinc/07/46/56/962074656.db2.gz MVZZGQLNYKNAKI-AWEZNQCLSA-N 1 1 292.398 3.172 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](C)CC ZINC001570816046 962099391 /nfs/dbraw/zinc/09/93/91/962099391.db2.gz PMNCRTGJHRYBQJ-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO CC#CC[N@@H+]1C[C@H](NC(=O)[C@@H](CC)CCCC)C(C)(C)C1 ZINC001570888518 962103759 /nfs/dbraw/zinc/10/37/59/962103759.db2.gz GCOWEDUKOSZSIE-HOTGVXAUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](CCCC)CC1(C)C ZINC001570904195 962109013 /nfs/dbraw/zinc/10/90/13/962109013.db2.gz CKDSECOYRXTRQN-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1C[N@H+](C[C@H](C)CC)CC1(C)C ZINC001570905189 962113068 /nfs/dbraw/zinc/11/30/68/962113068.db2.gz PDEXNHVEKHFJFO-CABCVRRESA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)CC[N@H+](C)C1CCN(C(=O)C2(C)CCC2)CC1 ZINC001571332884 962131950 /nfs/dbraw/zinc/13/19/50/962131950.db2.gz XITPIMCJIQGUIW-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CCC(=O)N[C@@]12CCC[C@H]1[N@@H+](CCC1CC1)CC2 ZINC001571500492 962172168 /nfs/dbraw/zinc/17/21/68/962172168.db2.gz DZDNUSBHWLSXCJ-SJLPKXTDSA-N 1 1 290.451 3.256 20 30 CGEDMO C=CCC[N@H+](C)CCN(C(=O)/C(C)=C/CC)C(C)C ZINC001571610462 962186281 /nfs/dbraw/zinc/18/62/81/962186281.db2.gz RDPOBFXMWHZXSO-XNTDXEJSSA-N 1 1 266.429 3.088 20 30 CGEDMO C[C@@H]1CCN(Cc2ccccc2)CC[N@H+]1[C@@H]1CC[C@@H](C#N)C1 ZINC000590162495 346833525 /nfs/dbraw/zinc/83/35/25/346833525.db2.gz SUPVXCSZMRDSRU-BHIYHBOVSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1[C@@H]1CC[C@@H](C#N)C1 ZINC000590162495 346833528 /nfs/dbraw/zinc/83/35/28/346833528.db2.gz SUPVXCSZMRDSRU-BHIYHBOVSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1[C@@H]1CC[C@@H](C#N)C1 ZINC000590162495 346833531 /nfs/dbraw/zinc/83/35/31/346833531.db2.gz SUPVXCSZMRDSRU-BHIYHBOVSA-N 1 1 297.446 3.275 20 30 CGEDMO N#Cc1ccc(C[N@@H+](Cc2ccccc2)C2CC2)o1 ZINC000125423046 187184193 /nfs/dbraw/zinc/18/41/93/187184193.db2.gz ZUDXBQXUHYTOAJ-UHFFFAOYSA-N 1 1 252.317 3.316 20 30 CGEDMO N#Cc1cccc(OCC[N@H+]2CCC[C@H]2c2ccncc2)c1 ZINC000125435934 187184652 /nfs/dbraw/zinc/18/46/52/187184652.db2.gz XRRGMKFSGGIZCS-SFHVURJKSA-N 1 1 293.370 3.169 20 30 CGEDMO C=CCOc1ccc(C[N@H+](CC)[C@H]2CCCOC2)cc1 ZINC000651947951 398310242 /nfs/dbraw/zinc/31/02/42/398310242.db2.gz YGQFVRLFCIUMFA-INIZCTEOSA-N 1 1 275.392 3.252 20 30 CGEDMO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(C#N)ccc32)c2nccn21 ZINC000590778435 346875245 /nfs/dbraw/zinc/87/52/45/346875245.db2.gz FTIZJVOGTFFASQ-HFBAOOFYSA-N 1 1 278.359 3.038 20 30 CGEDMO COC(=O)C[C@@H]1CCCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000591012801 346894657 /nfs/dbraw/zinc/89/46/57/346894657.db2.gz CTXZXGPPAKPRDH-HNNXBMFYSA-N 1 1 292.423 3.268 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000591582575 346930211 /nfs/dbraw/zinc/93/02/11/346930211.db2.gz MCPQRVOZNAHFMV-SJLPKXTDSA-N 1 1 295.430 3.200 20 30 CGEDMO C[C@H](c1cccnc1)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000127861037 187337536 /nfs/dbraw/zinc/33/75/36/187337536.db2.gz QXEFNAGKKMDDAZ-CQSZACIVSA-N 1 1 281.359 3.025 20 30 CGEDMO Cc1nn(C)cc1C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000353954248 282295185 /nfs/dbraw/zinc/29/51/85/282295185.db2.gz JQLZMLVUSDUSMM-MSOLQXFVSA-N 1 1 294.402 3.000 20 30 CGEDMO Cc1nn(C)cc1C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000353954248 282295186 /nfs/dbraw/zinc/29/51/86/282295186.db2.gz JQLZMLVUSDUSMM-MSOLQXFVSA-N 1 1 294.402 3.000 20 30 CGEDMO N#Cc1cnccc1C[N@H+]1CCC[C@H]1C1CCCC1 ZINC000592064834 346959363 /nfs/dbraw/zinc/95/93/63/346959363.db2.gz VPNFSDRQWKWDIY-INIZCTEOSA-N 1 1 255.365 3.108 20 30 CGEDMO COc1cncc(/C=C/CC[N@@H+](CCC#N)CC2CC2)c1 ZINC000592072152 346960227 /nfs/dbraw/zinc/96/02/27/346960227.db2.gz XKRSUFPRFLQATG-GORDUTHDSA-N 1 1 285.391 3.119 20 30 CGEDMO CN(C(=O)C[N@@H+](C)CCC(C)(C)C)C1(C#N)CCCCC1 ZINC000592144179 346967023 /nfs/dbraw/zinc/96/70/23/346967023.db2.gz AYDBUWJYEDEDLL-UHFFFAOYSA-N 1 1 293.455 3.039 20 30 CGEDMO N#CC[C@]1(O)CC[N@@H+](Cc2ccc(C3CCCC3)cc2)C1 ZINC000592155132 346967844 /nfs/dbraw/zinc/96/78/44/346967844.db2.gz YJCDVEZFABZGDS-SFHVURJKSA-N 1 1 284.403 3.195 20 30 CGEDMO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@@H+]1CCCCC#N ZINC000592156148 346968020 /nfs/dbraw/zinc/96/80/20/346968020.db2.gz HMIRPULUXRZNQJ-CJNGLKHVSA-N 1 1 276.355 3.281 20 30 CGEDMO C[C@@H]1[C@@H](c2cccc(F)c2)OCC[N@H+]1CCCCC#N ZINC000592156148 346968022 /nfs/dbraw/zinc/96/80/22/346968022.db2.gz HMIRPULUXRZNQJ-CJNGLKHVSA-N 1 1 276.355 3.281 20 30 CGEDMO Cc1ccncc1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593023012 347028669 /nfs/dbraw/zinc/02/86/69/347028669.db2.gz NLHZBBFYLQTZKJ-GFCCVEGCSA-N 1 1 296.330 3.021 20 30 CGEDMO C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1CC1(C#N)CC1 ZINC000593048849 347031786 /nfs/dbraw/zinc/03/17/86/347031786.db2.gz KDBXFLXBYNYQBN-BBWFWOEESA-N 1 1 297.446 3.273 20 30 CGEDMO C=C(C)CC[N@H+]1[C@H](C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000593052938 347032861 /nfs/dbraw/zinc/03/28/61/347032861.db2.gz XKITXYARJGYCQV-CHWSQXEVSA-N 1 1 253.386 3.147 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCCC#N)CCc2ccc(F)cc21 ZINC000593116348 347041158 /nfs/dbraw/zinc/04/11/58/347041158.db2.gz KRCKLSGTBDPUCN-CYBMUJFWSA-N 1 1 260.356 3.481 20 30 CGEDMO C=C(C)CN1CCC([NH2+][C@@H](C)c2nc(C)cs2)CC1 ZINC000623889790 349906550 /nfs/dbraw/zinc/90/65/50/349906550.db2.gz WCUNUAXIKZAUQB-ZDUSSCGKSA-N 1 1 279.453 3.143 20 30 CGEDMO COCC[C@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccco1 ZINC000273210917 192075730 /nfs/dbraw/zinc/07/57/30/192075730.db2.gz BPNIPZAZUIVABL-INIZCTEOSA-N 1 1 287.334 3.138 20 30 CGEDMO CC[C@@H](C#N)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000593406325 347072432 /nfs/dbraw/zinc/07/24/32/347072432.db2.gz AJEMIQSFCKYGDS-HOCLYGCPSA-N 1 1 299.418 3.407 20 30 CGEDMO CC[C@@H](C)[N@@H+](CC)CCC(=O)Nc1cccc(C#N)c1 ZINC000037113069 344947297 /nfs/dbraw/zinc/94/72/97/344947297.db2.gz MKFCQZALERXPNT-CYBMUJFWSA-N 1 1 273.380 3.007 20 30 CGEDMO CC(C)CC[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000048583915 345068277 /nfs/dbraw/zinc/06/82/77/345068277.db2.gz BLBJVYNYTPSYRP-UHFFFAOYSA-N 1 1 293.798 3.128 20 30 CGEDMO COc1cccc(C[N@@H+](C)CCOc2cccc(C#N)c2)c1 ZINC000051325301 345089349 /nfs/dbraw/zinc/08/93/49/345089349.db2.gz NTAGINUDEPMHEX-UHFFFAOYSA-N 1 1 296.370 3.078 20 30 CGEDMO C=CC[NH+](CC=C)CC(=O)N[C@@H](CCC)c1ccccc1 ZINC000052868788 345109699 /nfs/dbraw/zinc/10/96/99/345109699.db2.gz DRWFECQGKDGQOH-KRWDZBQOSA-N 1 1 286.419 3.318 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@@H]1CCCCO1 ZINC000056312582 345162330 /nfs/dbraw/zinc/16/23/30/345162330.db2.gz DDYVCFKRIFVRBI-HNNXBMFYSA-N 1 1 263.356 3.383 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1F)C[C@@H]1CCCCO1 ZINC000056312582 345162333 /nfs/dbraw/zinc/16/23/33/345162333.db2.gz DDYVCFKRIFVRBI-HNNXBMFYSA-N 1 1 263.356 3.383 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)N(CC)Cc1cccc(F)c1 ZINC000061758557 345232817 /nfs/dbraw/zinc/23/28/17/345232817.db2.gz AMXIJMNGGGRCFZ-UHFFFAOYSA-N 1 1 292.398 3.072 20 30 CGEDMO COc1cc(C[N@@H+](C)CCCC#N)ccc1SC ZINC000058528057 345196386 /nfs/dbraw/zinc/19/63/86/345196386.db2.gz UFFCJIASTOSUIN-UHFFFAOYSA-N 1 1 264.394 3.153 20 30 CGEDMO CC(C)C[N@@H+](C)CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000065962071 345282025 /nfs/dbraw/zinc/28/20/25/345282025.db2.gz DORRKBWVRQRBNH-UHFFFAOYSA-N 1 1 297.402 3.325 20 30 CGEDMO CC[C@H](C)C[N@@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075720972 345520754 /nfs/dbraw/zinc/52/07/54/345520754.db2.gz OWWVWXKSCNMEHQ-LBPRGKRZSA-N 1 1 284.363 3.086 20 30 CGEDMO N#CCC[N@@H+](Cc1ccc(F)c2cccnc12)CC1CC1 ZINC000081043966 345697528 /nfs/dbraw/zinc/69/75/28/345697528.db2.gz FFCHLLBSRLFYEC-UHFFFAOYSA-N 1 1 283.350 3.500 20 30 CGEDMO N#CCC[N@H+](Cc1ccc(F)c2cccnc12)CC1CC1 ZINC000081043966 345697531 /nfs/dbraw/zinc/69/75/31/345697531.db2.gz FFCHLLBSRLFYEC-UHFFFAOYSA-N 1 1 283.350 3.500 20 30 CGEDMO CCc1ncc(C[NH2+]Cc2ccc(C#N)cc2F)s1 ZINC000084022456 345729151 /nfs/dbraw/zinc/72/91/51/345729151.db2.gz ICFVTWYMDAUYIB-UHFFFAOYSA-N 1 1 275.352 3.006 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000091558520 345818518 /nfs/dbraw/zinc/81/85/18/345818518.db2.gz FAMVLCQGLNKYQI-CABCVRRESA-N 1 1 288.439 3.149 20 30 CGEDMO C=C(C)COCCNC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000090450902 345788176 /nfs/dbraw/zinc/78/81/76/345788176.db2.gz XDEFJPYWHRQHOJ-AEFFLSMTSA-N 1 1 294.483 3.212 20 30 CGEDMO CC[C@H]1CN(C)c2ccccc2C[N@H+]1Cc1ccc(C#N)o1 ZINC000091925682 345824955 /nfs/dbraw/zinc/82/49/55/345824955.db2.gz XBFILAGUGRHRLS-HNNXBMFYSA-N 1 1 295.386 3.382 20 30 CGEDMO C[C@H]([NH2+]Cc1nc2c(s1)CCC2)c1cccc(C#N)c1 ZINC000093078062 345869241 /nfs/dbraw/zinc/86/92/41/345869241.db2.gz AJIWSZCDQSIXRR-NSHDSACASA-N 1 1 283.400 3.354 20 30 CGEDMO CC[N@H+](Cc1ccoc1)Cc1ccc(F)c(C#N)c1 ZINC000119774643 345995465 /nfs/dbraw/zinc/99/54/65/345995465.db2.gz GDIGBPAHUPCXCC-UHFFFAOYSA-N 1 1 258.296 3.312 20 30 CGEDMO CC[N@@H+](Cc1ccoc1)Cc1ccc(F)c(C#N)c1 ZINC000119774643 345995467 /nfs/dbraw/zinc/99/54/67/345995467.db2.gz GDIGBPAHUPCXCC-UHFFFAOYSA-N 1 1 258.296 3.312 20 30 CGEDMO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(OC(F)F)cc1 ZINC000125807079 346018895 /nfs/dbraw/zinc/01/88/95/346018895.db2.gz PQYFIIFDYJQKDG-RYUDHWBXSA-N 1 1 293.317 3.382 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000165424511 346183763 /nfs/dbraw/zinc/18/37/63/346183763.db2.gz PYDNXKSHJKNKPT-UHFFFAOYSA-N 1 1 275.355 3.370 20 30 CGEDMO C=CCC[C@@H]([NH2+]C1CCN(CC2CC2)CC1)C1CC1 ZINC000178677775 346252484 /nfs/dbraw/zinc/25/24/84/346252484.db2.gz SKZLZZTWZFIQDZ-QGZVFWFLSA-N 1 1 262.441 3.195 20 30 CGEDMO COc1cc(C[N@@H+](CC2CC2)C(C)C)ccc1C#N ZINC000234942681 346333441 /nfs/dbraw/zinc/33/34/41/346333441.db2.gz VBNRSQUUHUDNEV-UHFFFAOYSA-N 1 1 258.365 3.187 20 30 CGEDMO C[C@@H](C[N@@H+](C)C[C@H](C#N)CCC#N)c1ccccc1 ZINC000264875207 346405625 /nfs/dbraw/zinc/40/56/25/346405625.db2.gz PUSMBJHGFQZBPG-GJZGRUSLSA-N 1 1 255.365 3.165 20 30 CGEDMO COc1ccc2c(c1)C1(CC1)C[N@@H+]([C@@H]1CC[C@@H](C#N)C1)C2 ZINC000293542524 346431570 /nfs/dbraw/zinc/43/15/70/346431570.db2.gz KJUWFSRHWROQKC-UKRRQHHQSA-N 1 1 282.387 3.235 20 30 CGEDMO C=C1CC[NH+]([C@@H](C)c2cc(C(=O)OC)c(C)o2)CC1 ZINC000292724780 346429334 /nfs/dbraw/zinc/42/93/34/346429334.db2.gz UUTHSDDRIDRYTI-NSHDSACASA-N 1 1 263.337 3.088 20 30 CGEDMO C=C1CC[NH+](Cc2ccc(C(=O)OC)c(Cl)c2)CC1 ZINC000297627254 346434843 /nfs/dbraw/zinc/43/48/43/346434843.db2.gz WTGOCRPDXDNCMO-UHFFFAOYSA-N 1 1 279.767 3.279 20 30 CGEDMO COCC[N@@H+](CCC#N)C[C@H](C)C1CCCCC1 ZINC000311179064 346472826 /nfs/dbraw/zinc/47/28/26/346472826.db2.gz WMPAPZTUFVWXPQ-AWEZNQCLSA-N 1 1 252.402 3.065 20 30 CGEDMO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)C(=O)OC(C)(C)C)C1 ZINC000593614126 347095306 /nfs/dbraw/zinc/09/53/06/347095306.db2.gz ZWAIOBTUNPUNDD-UPJWGTAASA-N 1 1 253.386 3.051 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000397744795 346584974 /nfs/dbraw/zinc/58/49/74/346584974.db2.gz NXZFBWOJJBACQA-AWEZNQCLSA-N 1 1 254.377 3.301 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCSC[C@H]2C2CC2)cc1 ZINC000451656033 346621234 /nfs/dbraw/zinc/62/12/34/346621234.db2.gz SBBMACFKTSMPED-INIZCTEOSA-N 1 1 275.392 3.005 20 30 CGEDMO CC(C)O[C@H]1CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000404724849 346600830 /nfs/dbraw/zinc/60/08/30/346600830.db2.gz WURNUDSMHAWPSZ-HNNXBMFYSA-N 1 1 276.355 3.087 20 30 CGEDMO CC(C)O[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000404724849 346600832 /nfs/dbraw/zinc/60/08/32/346600832.db2.gz WURNUDSMHAWPSZ-HNNXBMFYSA-N 1 1 276.355 3.087 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NCC1(C#N)CCCC1 ZINC000405153524 346602658 /nfs/dbraw/zinc/60/26/58/346602658.db2.gz QIHWLOZNYHZVDC-AEFFLSMTSA-N 1 1 297.446 3.180 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCC1(C#N)CCCC1 ZINC000405153524 346602663 /nfs/dbraw/zinc/60/26/63/346602663.db2.gz QIHWLOZNYHZVDC-AEFFLSMTSA-N 1 1 297.446 3.180 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)[C@@H]2CCN(C)C[C@@H]2C)cc1 ZINC000561983383 346659680 /nfs/dbraw/zinc/65/96/80/346659680.db2.gz UWMAKAHVCLESAX-MAUKXSAKSA-N 1 1 288.435 3.023 20 30 CGEDMO CC(C)O[C@@H]1CC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000584778397 346713601 /nfs/dbraw/zinc/71/36/01/346713601.db2.gz YZUFPOUMEXZYLU-XJKSGUPXSA-N 1 1 258.365 3.119 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1nc(-c2ccccc2C)no1 ZINC000588783189 346768693 /nfs/dbraw/zinc/76/86/93/346768693.db2.gz JGPRVGPIRUOOAM-UHFFFAOYSA-N 1 1 271.364 3.443 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1nc(-c2ccccc2C)no1 ZINC000588783189 346768696 /nfs/dbraw/zinc/76/86/96/346768696.db2.gz JGPRVGPIRUOOAM-UHFFFAOYSA-N 1 1 271.364 3.443 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCCCNc1ccnc(C#N)c1 ZINC000587240102 346742648 /nfs/dbraw/zinc/74/26/48/346742648.db2.gz FDIRYCCKCFRRIL-CQSZACIVSA-N 1 1 272.396 3.020 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1 ZINC000589199949 346789968 /nfs/dbraw/zinc/78/99/68/346789968.db2.gz ODRQJSWMKSGJRT-KBPBESRZSA-N 1 1 290.432 3.258 20 30 CGEDMO CC[N@@H+](CCC#N)CCCc1c(F)cccc1F ZINC000593959819 347123910 /nfs/dbraw/zinc/12/39/10/347123910.db2.gz INGQYLVUPVIJJV-UHFFFAOYSA-N 1 1 252.308 3.133 20 30 CGEDMO CC[N@H+](CCC#N)CCCc1c(F)cccc1F ZINC000593959819 347123913 /nfs/dbraw/zinc/12/39/13/347123913.db2.gz INGQYLVUPVIJJV-UHFFFAOYSA-N 1 1 252.308 3.133 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594006606 347135703 /nfs/dbraw/zinc/13/57/03/347135703.db2.gz JSIDRZGSQGVBRE-HNNXBMFYSA-N 1 1 255.365 3.270 20 30 CGEDMO CN(C[C@H]1CCC[N@H+]1C)c1cccc(C(F)F)c1C#N ZINC000594592942 347197784 /nfs/dbraw/zinc/19/77/84/347197784.db2.gz DQEMTGSHWVFEMF-LLVKDONJSA-N 1 1 279.334 3.026 20 30 CGEDMO Cc1ccc(CCC[N@H+]2Cc3ccc(C#N)cc3C2)cn1 ZINC000594613640 347203752 /nfs/dbraw/zinc/20/37/52/347203752.db2.gz QFXZXHWXBWDPAV-UHFFFAOYSA-N 1 1 277.371 3.210 20 30 CGEDMO C[C@H](c1cccc(NCC2(CC#N)CC2)c1)[NH+]1CCOCC1 ZINC000594705558 347211500 /nfs/dbraw/zinc/21/15/00/347211500.db2.gz LPYVONIJTSMVJW-OAHLLOKOSA-N 1 1 299.418 3.186 20 30 CGEDMO N#Cc1cccc(COc2cc[nH+]c3c2CCCC3)c1 ZINC000594493414 347177902 /nfs/dbraw/zinc/17/79/02/347177902.db2.gz MOVGUVRODVGFTA-UHFFFAOYSA-N 1 1 264.328 3.411 20 30 CGEDMO CC[N@@H+]1CCCC[C@@H]1CNCc1ccc(C(C)(C)C#N)cc1 ZINC000594502749 347180732 /nfs/dbraw/zinc/18/07/32/347180732.db2.gz QMZUCGQPYJJKIU-GOSISDBHSA-N 1 1 299.462 3.452 20 30 CGEDMO CC[N@H+]1CCCC[C@@H]1CNCc1ccc(C(C)(C)C#N)cc1 ZINC000594502749 347180734 /nfs/dbraw/zinc/18/07/34/347180734.db2.gz QMZUCGQPYJJKIU-GOSISDBHSA-N 1 1 299.462 3.452 20 30 CGEDMO CC[N@H+](CCSc1cccc(OC)c1)C[C@@H](C)C#N ZINC000595299046 347289475 /nfs/dbraw/zinc/28/94/75/347289475.db2.gz VSHBKNZVCDVLJH-ZDUSSCGKSA-N 1 1 278.421 3.269 20 30 CGEDMO CC[N@@H+](CCSc1cccc(OC)c1)C[C@@H](C)C#N ZINC000595299046 347289479 /nfs/dbraw/zinc/28/94/79/347289479.db2.gz VSHBKNZVCDVLJH-ZDUSSCGKSA-N 1 1 278.421 3.269 20 30 CGEDMO CO[C@H](C[N@@H+](CCC#N)C(C)C)C1CCCCC1 ZINC000595331786 347293098 /nfs/dbraw/zinc/29/30/98/347293098.db2.gz CTWHLJPDDPQOCO-OAHLLOKOSA-N 1 1 252.402 3.206 20 30 CGEDMO C[C@@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595611143 347326289 /nfs/dbraw/zinc/32/62/89/347326289.db2.gz HJQQSOZXOLGGOG-UONOGXRCSA-N 1 1 296.374 3.423 20 30 CGEDMO C[C@@H](c1nnc(-c2ccccc2)o1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595611143 347326290 /nfs/dbraw/zinc/32/62/90/347326290.db2.gz HJQQSOZXOLGGOG-UONOGXRCSA-N 1 1 296.374 3.423 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccccc2OC(F)F)C1 ZINC000595609978 347326624 /nfs/dbraw/zinc/32/66/24/347326624.db2.gz RDECSVJPHCWRHF-GFCCVEGCSA-N 1 1 280.318 3.414 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2ccccc2OC(F)F)C1 ZINC000595609978 347326625 /nfs/dbraw/zinc/32/66/25/347326625.db2.gz RDECSVJPHCWRHF-GFCCVEGCSA-N 1 1 280.318 3.414 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2cccc(C(=O)OC)c2C#N)C1 ZINC000595661265 347335633 /nfs/dbraw/zinc/33/56/33/347335633.db2.gz XXIUDBSEVCISEM-CQSZACIVSA-N 1 1 298.386 3.133 20 30 CGEDMO N#Cc1cccc(OCC[N@@H+]2CCC[C@H](CCF)C2)c1 ZINC000595756679 347351281 /nfs/dbraw/zinc/35/12/81/347351281.db2.gz VSLKYFDRDKHGQA-CQSZACIVSA-N 1 1 276.355 3.009 20 30 CGEDMO C[C@H](N[C@H](C#N)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000595430400 347302999 /nfs/dbraw/zinc/30/29/99/347302999.db2.gz KAWXGGDGOOBEIM-KVSKMBFKSA-N 1 1 297.446 3.494 20 30 CGEDMO N#Cc1ccc(CC[N@@H+]2CC[C@@H](CC(F)(F)F)C2)cc1 ZINC000595466997 347307944 /nfs/dbraw/zinc/30/79/44/347307944.db2.gz VFDLCDMFEODDTC-AWEZNQCLSA-N 1 1 282.309 3.375 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595482655 347310279 /nfs/dbraw/zinc/31/02/79/347310279.db2.gz TUGHUGIMHUPMQH-ZDUSSCGKSA-N 1 1 264.300 3.274 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595482655 347310282 /nfs/dbraw/zinc/31/02/82/347310282.db2.gz TUGHUGIMHUPMQH-ZDUSSCGKSA-N 1 1 264.300 3.274 20 30 CGEDMO CO[C@H](C[N@@H+]1Cc2cccc(C#N)c2C1)C1CCCC1 ZINC000595561917 347319785 /nfs/dbraw/zinc/31/97/85/347319785.db2.gz QOFLHCGFKKLEIC-QGZVFWFLSA-N 1 1 270.376 3.079 20 30 CGEDMO CO[C@H](C[N@H+]1Cc2cccc(C#N)c2C1)C1CCCC1 ZINC000595561917 347319786 /nfs/dbraw/zinc/31/97/86/347319786.db2.gz QOFLHCGFKKLEIC-QGZVFWFLSA-N 1 1 270.376 3.079 20 30 CGEDMO CC[N@@H+](CCOc1ccccc1OC)[C@@H]1CC[C@H](C#N)C1 ZINC000595884555 347369972 /nfs/dbraw/zinc/36/99/72/347369972.db2.gz HVABWGMSQQNBOV-LSDHHAIUSA-N 1 1 288.391 3.088 20 30 CGEDMO CCC[N@@H+](Cc1cn(C)nc1C)Cc1ccc(C#N)cc1 ZINC000119248367 370658183 /nfs/dbraw/zinc/65/81/83/370658183.db2.gz MMXFVVJXBSJGFI-UHFFFAOYSA-N 1 1 282.391 3.012 20 30 CGEDMO N#CC1(c2ccccc2)CCC([NH2+]CC2(N)CCCC2)CC1 ZINC000596649081 347497614 /nfs/dbraw/zinc/49/76/14/347497614.db2.gz XSJXJSOUWUGCFB-UHFFFAOYSA-N 1 1 297.446 3.252 20 30 CGEDMO N#Cc1ccc(N[C@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000596480111 347465467 /nfs/dbraw/zinc/46/54/67/347465467.db2.gz VTHYDJISDXXACA-INIZCTEOSA-N 1 1 269.392 3.377 20 30 CGEDMO Cc1nsc(NC[C@@H]2CC[N@@H+]2Cc2ccccc2)c1C#N ZINC000596556413 347479619 /nfs/dbraw/zinc/47/96/19/347479619.db2.gz BTVNFJNVBNKHGY-AWEZNQCLSA-N 1 1 298.415 3.010 20 30 CGEDMO Cc1nsc(NC[C@@H]2CC[N@H+]2Cc2ccccc2)c1C#N ZINC000596556413 347479620 /nfs/dbraw/zinc/47/96/20/347479620.db2.gz BTVNFJNVBNKHGY-AWEZNQCLSA-N 1 1 298.415 3.010 20 30 CGEDMO CC(C)N(C)c1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cn1 ZINC000597176279 347544006 /nfs/dbraw/zinc/54/40/06/347544006.db2.gz HIIWLSZVHBQKEQ-HNNXBMFYSA-N 1 1 286.423 3.052 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000597175258 347544264 /nfs/dbraw/zinc/54/42/64/347544264.db2.gz AIYMIFMRNLDRJJ-CYBMUJFWSA-N 1 1 298.365 3.341 20 30 CGEDMO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000596977938 347523901 /nfs/dbraw/zinc/52/39/01/347523901.db2.gz QMSKVRPODQXBHT-YOEHRIQHSA-N 1 1 284.403 3.241 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2conc2Cc2ccccc2)C1 ZINC000597177514 347545394 /nfs/dbraw/zinc/54/53/94/347545394.db2.gz NVVLICSVOZAHPG-MRXNPFEDSA-N 1 1 295.386 3.391 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2conc2Cc2ccccc2)C1 ZINC000597177514 347545397 /nfs/dbraw/zinc/54/53/97/347545397.db2.gz NVVLICSVOZAHPG-MRXNPFEDSA-N 1 1 295.386 3.391 20 30 CGEDMO CC(C)C[N@@H+](CCN(C)C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597127230 347537138 /nfs/dbraw/zinc/53/71/38/347537138.db2.gz NVHYYLXUHWYWEH-UHFFFAOYSA-N 1 1 299.462 3.261 20 30 CGEDMO CC(C)CN(CC[NH+](C)C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597127230 347537140 /nfs/dbraw/zinc/53/71/40/347537140.db2.gz NVHYYLXUHWYWEH-UHFFFAOYSA-N 1 1 299.462 3.261 20 30 CGEDMO Cc1cc(C[NH+]2CC(CC#N)C2)ccc1C(F)(F)F ZINC000597203730 347554346 /nfs/dbraw/zinc/55/43/46/347554346.db2.gz NJAUXVOVTYTKQM-UHFFFAOYSA-N 1 1 268.282 3.359 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@@H](CCF)C2)ccc1C#N ZINC000597209850 347555001 /nfs/dbraw/zinc/55/50/01/347555001.db2.gz DMYQZBQAILJGBM-ZDUSSCGKSA-N 1 1 276.355 3.138 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c1 ZINC000597224348 347556422 /nfs/dbraw/zinc/55/64/22/347556422.db2.gz GULABVBNWNKCOL-HOCLYGCPSA-N 1 1 290.432 3.401 20 30 CGEDMO CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000598649793 347675530 /nfs/dbraw/zinc/67/55/30/347675530.db2.gz FHVQSUSTQBNWBA-CHWSQXEVSA-N 1 1 288.382 3.091 20 30 CGEDMO CC[N@H+](Cc1ccccc1C)C[C@@H](O)CC(C)(C)C#N ZINC000598586950 347666769 /nfs/dbraw/zinc/66/67/69/347666769.db2.gz LQKCQSOMLZYHHE-INIZCTEOSA-N 1 1 274.408 3.118 20 30 CGEDMO C[N@@H+](CCc1ccc(Cl)cc1)C[C@H](O)CC(C)(C)C#N ZINC000598594152 347668596 /nfs/dbraw/zinc/66/85/96/347668596.db2.gz YJOPIAFXOSHUHV-OAHLLOKOSA-N 1 1 294.826 3.115 20 30 CGEDMO CC(C)[C@@H]1CCC[N@@H+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598594104 347668601 /nfs/dbraw/zinc/66/86/01/347668601.db2.gz XVSXJGHLEOWCFV-HUUCEWRRSA-N 1 1 266.429 3.045 20 30 CGEDMO CC(C)(C)C[C@@H]1CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598619100 347672165 /nfs/dbraw/zinc/67/21/65/347672165.db2.gz AMLVVJYVTNNDPW-KBPBESRZSA-N 1 1 266.429 3.045 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@H](C(=O)OC)[C@@H]2CCC[C@H]21 ZINC000599649174 347761793 /nfs/dbraw/zinc/76/17/93/347761793.db2.gz SBZIOQBUIZQWSW-SOUVJXGZSA-N 1 1 265.397 3.006 20 30 CGEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCCC2(CC2)CC1 ZINC000599673249 347763059 /nfs/dbraw/zinc/76/30/59/347763059.db2.gz MWWFIHLAXBKIJB-AWEZNQCLSA-N 1 1 297.402 3.151 20 30 CGEDMO C=CCCCC[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679123 347764904 /nfs/dbraw/zinc/76/49/04/347764904.db2.gz WISVHOBULDHCMR-UHFFFAOYSA-N 1 1 254.377 3.467 20 30 CGEDMO CCC[N@@H+](CCCCC(=O)OC)Cc1ccc(C#N)cc1 ZINC000599265536 347730076 /nfs/dbraw/zinc/73/00/76/347730076.db2.gz XSSCTLMGSMSWSX-UHFFFAOYSA-N 1 1 288.391 3.114 20 30 CGEDMO Cc1ccc(C[N@H+]2CCc3ccsc3C2)cc1C#N ZINC000599338870 347736907 /nfs/dbraw/zinc/73/69/07/347736907.db2.gz IFICWIBPRQOVMB-UHFFFAOYSA-N 1 1 268.385 3.487 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CCCCCC(=O)OCC)C1 ZINC000599526454 347750580 /nfs/dbraw/zinc/75/05/80/347750580.db2.gz LYPYXOXWMFYRPJ-CQSZACIVSA-N 1 1 253.386 3.008 20 30 CGEDMO N#Cc1ccc(OCC[N@@H+]2CCCC(F)(F)CC2)cc1 ZINC000599552092 347753366 /nfs/dbraw/zinc/75/33/66/347753366.db2.gz VFFJPCRBRFZJLQ-UHFFFAOYSA-N 1 1 280.318 3.058 20 30 CGEDMO CSC1(C[N@H+]2CCc3c(CC#N)cccc3C2)CCC1 ZINC000600212985 347793899 /nfs/dbraw/zinc/79/38/99/347793899.db2.gz MYFZRCDDFFSNIZ-UHFFFAOYSA-N 1 1 286.444 3.396 20 30 CGEDMO COc1cc(C[N@H+]2CCCC(F)(F)CC2)ccc1C#N ZINC000600190103 347791880 /nfs/dbraw/zinc/79/18/80/347791880.db2.gz WZJSCROKJFOJCW-UHFFFAOYSA-N 1 1 280.318 3.188 20 30 CGEDMO Cc1cc(C#N)cc(N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000601139805 347874340 /nfs/dbraw/zinc/87/43/40/347874340.db2.gz MVYNIUOOGHVWCA-GDBMZVCRSA-N 1 1 298.434 3.327 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]2c2ccccc2)n1 ZINC000602436161 347957296 /nfs/dbraw/zinc/95/72/96/347957296.db2.gz VZTAAWHJRLHCFK-KRWDZBQOSA-N 1 1 263.344 3.290 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000602451171 347960472 /nfs/dbraw/zinc/96/04/72/347960472.db2.gz ZECNSRCSUCUKIL-INIZCTEOSA-N 1 1 296.418 3.010 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000602457736 347961055 /nfs/dbraw/zinc/96/10/55/347961055.db2.gz CRFZTSQPZQGYJG-DZGCQCFKSA-N 1 1 286.375 3.492 20 30 CGEDMO Cc1ccccc1C[C@@H]1CCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602458943 347961459 /nfs/dbraw/zinc/96/14/59/347961459.db2.gz RDNZQVHJTLARMG-IBGZPJMESA-N 1 1 291.398 3.469 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)n1 ZINC000602463606 347962131 /nfs/dbraw/zinc/96/21/31/347962131.db2.gz IJDKFROPYDTESF-CQSZACIVSA-N 1 1 281.334 3.082 20 30 CGEDMO CCc1ccc([C@H]2COCC[N@@H+]2C[C@H](C)CCC#N)o1 ZINC000602471289 347964087 /nfs/dbraw/zinc/96/40/87/347964087.db2.gz BFNFUSWNNCURFC-UKRRQHHQSA-N 1 1 276.380 3.155 20 30 CGEDMO CCc1ccc([C@H]2COCC[N@H+]2C[C@H](C)CCC#N)o1 ZINC000602471289 347964091 /nfs/dbraw/zinc/96/40/91/347964091.db2.gz BFNFUSWNNCURFC-UKRRQHHQSA-N 1 1 276.380 3.155 20 30 CGEDMO CC(C)C[C@H]1CCCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602474095 347964560 /nfs/dbraw/zinc/96/45/60/347964560.db2.gz GPYYTLDUQKYIAC-MRXNPFEDSA-N 1 1 257.381 3.354 20 30 CGEDMO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1cccc(C#N)n1 ZINC000602477325 347965254 /nfs/dbraw/zinc/96/52/54/347965254.db2.gz JQBCCRAYLIWKEU-ZFWWWQNUSA-N 1 1 295.361 3.470 20 30 CGEDMO C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1cccc(C#N)n1 ZINC000602478104 347966050 /nfs/dbraw/zinc/96/60/50/347966050.db2.gz WJHDLLJCZXDQCB-KDOFPFPSSA-N 1 1 277.371 3.331 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000602482785 347967116 /nfs/dbraw/zinc/96/71/16/347967116.db2.gz QLRYMRBLDBREEA-NSHDSACASA-N 1 1 264.319 3.263 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000602484610 347967853 /nfs/dbraw/zinc/96/78/53/347967853.db2.gz NXWALYKRHMHZSR-WMZOPIPTSA-N 1 1 286.419 3.260 20 30 CGEDMO CN(CCC[NH2+]C1CCC(C#N)CC1)Cc1ccccc1 ZINC000602512665 347973723 /nfs/dbraw/zinc/97/37/23/347973723.db2.gz LRKVAVHMMYXNQF-UHFFFAOYSA-N 1 1 285.435 3.180 20 30 CGEDMO C=CC[N@@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602620377 347995265 /nfs/dbraw/zinc/99/52/65/347995265.db2.gz BDTGBWALZKDWTR-UHFFFAOYSA-N 1 1 274.242 3.231 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602620377 347995268 /nfs/dbraw/zinc/99/52/68/347995268.db2.gz BDTGBWALZKDWTR-UHFFFAOYSA-N 1 1 274.242 3.231 20 30 CGEDMO N#CCC1(C[N@H+]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000602785471 348028544 /nfs/dbraw/zinc/02/85/44/348028544.db2.gz UONIQJVSXSTHSJ-MRXNPFEDSA-N 1 1 254.377 3.245 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C[C@@H](C)c1ccccc1)[C@@H](C)CO ZINC000602667810 348004837 /nfs/dbraw/zinc/00/48/37/348004837.db2.gz TXQZELXZVLQBMZ-ZACQAIPSSA-N 1 1 288.435 3.413 20 30 CGEDMO C[C@@H](CCC#N)C[N@@H+](CCN(C)C)Cc1ccsc1 ZINC000602686274 348008900 /nfs/dbraw/zinc/00/89/00/348008900.db2.gz AYDNDGNSVMLOTC-AWEZNQCLSA-N 1 1 279.453 3.052 20 30 CGEDMO C[C@@H](CCC#N)CN(CC[NH+](C)C)Cc1ccsc1 ZINC000602686274 348008902 /nfs/dbraw/zinc/00/89/02/348008902.db2.gz AYDNDGNSVMLOTC-AWEZNQCLSA-N 1 1 279.453 3.052 20 30 CGEDMO CC(C)[C@@H]1[N@@H+](Cc2cccc(C#N)n2)CC12CCCC2 ZINC000602686901 348009137 /nfs/dbraw/zinc/00/91/37/348009137.db2.gz SBQUGRLWNBEMCL-INIZCTEOSA-N 1 1 269.392 3.354 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCN(Cc2ccccc2)C[C@H](C)C1 ZINC000602684408 348009168 /nfs/dbraw/zinc/00/91/68/348009168.db2.gz XSOFPQWGPGTIOO-ZWKOTPCHSA-N 1 1 299.462 3.380 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000602702044 348012988 /nfs/dbraw/zinc/01/29/88/348012988.db2.gz NAGRDCQJQKZGCN-QLFBSQMISA-N 1 1 294.439 3.226 20 30 CGEDMO CC[C@@H]([NH2+]Cc1cccc(C#N)n1)c1ccccc1F ZINC000602705199 348013313 /nfs/dbraw/zinc/01/33/13/348013313.db2.gz MHAFKPAUAJBSMH-MRXNPFEDSA-N 1 1 269.323 3.333 20 30 CGEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)CC2(CC#N)CC2)C1 ZINC000602788517 348029360 /nfs/dbraw/zinc/02/93/60/348029360.db2.gz ZVTKQPCAAOKTCD-QWHCGFSZSA-N 1 1 252.427 3.286 20 30 CGEDMO Cc1ccccc1[C@@H]1C[N@H+](CC2(CC#N)CC2)[C@@H](C)CO1 ZINC000602786712 348029435 /nfs/dbraw/zinc/02/94/35/348029435.db2.gz XCTUJEFEOFYXHL-RDJZCZTQSA-N 1 1 284.403 3.451 20 30 CGEDMO Cc1ccccc1[C@@H]1C[N@@H+](CC2(CC#N)CC2)[C@@H](C)CO1 ZINC000602786712 348029438 /nfs/dbraw/zinc/02/94/38/348029438.db2.gz XCTUJEFEOFYXHL-RDJZCZTQSA-N 1 1 284.403 3.451 20 30 CGEDMO CCc1cccc2c1OCC[C@H]2[NH2+]Cc1cccc(C#N)n1 ZINC000602543018 347978514 /nfs/dbraw/zinc/97/85/14/347978514.db2.gz DQTKYBDFFIMRMK-QGZVFWFLSA-N 1 1 293.370 3.129 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](c3cccnc3)C2)c1 ZINC000602855892 348037652 /nfs/dbraw/zinc/03/76/52/348037652.db2.gz QELVUHDKCNYJIF-INIZCTEOSA-N 1 1 295.361 3.472 20 30 CGEDMO C[N@@H+](C[C@@H]1CCc2ccccc21)CC1(CC#N)CC1 ZINC000602904103 348041749 /nfs/dbraw/zinc/04/17/49/348041749.db2.gz IXALAPZXRMKQFX-HNNXBMFYSA-N 1 1 254.377 3.342 20 30 CGEDMO COc1ccc([C@@H]2CC[N@@H+](CC3(CC#N)CC3)C2)cc1F ZINC000602915380 348043446 /nfs/dbraw/zinc/04/34/46/348043446.db2.gz CHTHMSZCNQNUDN-CQSZACIVSA-N 1 1 288.366 3.317 20 30 CGEDMO COc1ccc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)cc1Cl ZINC000602979177 348050291 /nfs/dbraw/zinc/05/02/91/348050291.db2.gz ARASORZOOLUJOF-OCCSQVGLSA-N 1 1 278.783 3.473 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)cc1Cl ZINC000602979177 348050295 /nfs/dbraw/zinc/05/02/95/348050295.db2.gz ARASORZOOLUJOF-OCCSQVGLSA-N 1 1 278.783 3.473 20 30 CGEDMO C[N@H+](CCc1nsc2ccccc21)[C@@H]1CCC[C@H]1C#N ZINC000602982392 348052286 /nfs/dbraw/zinc/05/22/86/348052286.db2.gz RWESRINYTQBLTK-SWLSCSKDSA-N 1 1 285.416 3.463 20 30 CGEDMO C[N@@H+](CCc1nsc2ccccc21)[C@@H]1CCC[C@H]1C#N ZINC000602982392 348052289 /nfs/dbraw/zinc/05/22/89/348052289.db2.gz RWESRINYTQBLTK-SWLSCSKDSA-N 1 1 285.416 3.463 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000602997589 348053737 /nfs/dbraw/zinc/05/37/37/348053737.db2.gz NHXKQODKTFICDU-JYJNAYRXSA-N 1 1 278.440 3.332 20 30 CGEDMO COCC[N@@H+](CCCCC#N)Cc1ccc(C)cc1C ZINC000608832757 348332335 /nfs/dbraw/zinc/33/23/35/348332335.db2.gz OJTJVUFDTWGWDM-UHFFFAOYSA-N 1 1 274.408 3.446 20 30 CGEDMO C[C@H]([NH2+]Cc1cc(C#N)cs1)c1nc2ccccc2n1C ZINC000610497336 348385235 /nfs/dbraw/zinc/38/52/35/348385235.db2.gz PEPZVTHJJBAXNT-NSHDSACASA-N 1 1 296.399 3.357 20 30 CGEDMO N#CCSCCC[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000610504980 348386022 /nfs/dbraw/zinc/38/60/22/348386022.db2.gz PMELRWSKFNWBQO-CQSZACIVSA-N 1 1 264.369 3.219 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCc2ccc(O)cc2CC1 ZINC000609823394 348354091 /nfs/dbraw/zinc/35/40/91/348354091.db2.gz CENGCPXPROXTDJ-CQSZACIVSA-N 1 1 292.382 3.426 20 30 CGEDMO COc1ccc(C[N@@H+](Cc2ccnc(C#N)c2)C2CC2)cc1 ZINC000610991299 348414017 /nfs/dbraw/zinc/41/40/17/348414017.db2.gz IPVIKYYSOOHSRL-UHFFFAOYSA-N 1 1 293.370 3.126 20 30 CGEDMO Cc1ccc([C@@H](C)[N@@H+](C)Cc2ccnc(C#N)c2)cc1 ZINC000610992005 348415408 /nfs/dbraw/zinc/41/54/08/348415408.db2.gz OVFKRYVPEBIGTQ-CQSZACIVSA-N 1 1 265.360 3.455 20 30 CGEDMO CC(C)C[N@@H+](Cc1ccnc(C#N)c1)CC(C)(C)C ZINC000610994173 348416429 /nfs/dbraw/zinc/41/64/29/348416429.db2.gz PBARMHAEELGVHA-UHFFFAOYSA-N 1 1 259.397 3.457 20 30 CGEDMO C[N@H+](Cc1[nH]nc2ccccc21)Cc1ccc(C#N)cc1 ZINC000611254391 348432066 /nfs/dbraw/zinc/43/20/66/348432066.db2.gz BRMBDTBQYXLICE-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO C[N@@H+](Cc1[nH]nc2ccccc21)Cc1ccc(C#N)cc1 ZINC000611254391 348432068 /nfs/dbraw/zinc/43/20/68/348432068.db2.gz BRMBDTBQYXLICE-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO C[N@H+](Cc1n[nH]c2ccccc21)Cc1ccc(C#N)cc1 ZINC000611254391 348432074 /nfs/dbraw/zinc/43/20/74/348432074.db2.gz BRMBDTBQYXLICE-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO C[N@@H+](Cc1n[nH]c2ccccc21)Cc1ccc(C#N)cc1 ZINC000611254391 348432075 /nfs/dbraw/zinc/43/20/75/348432075.db2.gz BRMBDTBQYXLICE-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ncccc1F ZINC000611394264 348445698 /nfs/dbraw/zinc/44/56/98/348445698.db2.gz AHQUMIHDSNVZNH-MRXNPFEDSA-N 1 1 281.334 3.260 20 30 CGEDMO CC[N@@H+](Cc1ccoc1)Cc1ccc(CC#N)cc1 ZINC000612067284 348489831 /nfs/dbraw/zinc/48/98/31/348489831.db2.gz OHCPYYUXRHCPRL-UHFFFAOYSA-N 1 1 254.333 3.368 20 30 CGEDMO C[C@@]1(C#N)CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000612161255 348497856 /nfs/dbraw/zinc/49/78/56/348497856.db2.gz BHZOWBFSNXWUBI-KRWDZBQOSA-N 1 1 265.360 3.360 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000612161255 348497857 /nfs/dbraw/zinc/49/78/57/348497857.db2.gz BHZOWBFSNXWUBI-KRWDZBQOSA-N 1 1 265.360 3.360 20 30 CGEDMO C[C@@]1(C#N)CCC[N@H+](CCSc2ccccc2)C1 ZINC000612161461 348497956 /nfs/dbraw/zinc/49/79/56/348497956.db2.gz TWFPMQUIWDYSBO-HNNXBMFYSA-N 1 1 260.406 3.404 20 30 CGEDMO C[C@@]1(C#N)CCC[N@@H+](CCSc2ccccc2)C1 ZINC000612161461 348497958 /nfs/dbraw/zinc/49/79/58/348497958.db2.gz TWFPMQUIWDYSBO-HNNXBMFYSA-N 1 1 260.406 3.404 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](C[C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000612406096 348516986 /nfs/dbraw/zinc/51/69/86/348516986.db2.gz ICQQDSYKWOKXAK-GVDBMIGSSA-N 1 1 254.377 3.416 20 30 CGEDMO COc1cc(C[NH2+]CC(C)(C)C#N)ccc1SC ZINC000612584807 348530544 /nfs/dbraw/zinc/53/05/44/348530544.db2.gz AGVWFASYEZNDTF-UHFFFAOYSA-N 1 1 264.394 3.056 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000613415806 348599316 /nfs/dbraw/zinc/59/93/16/348599316.db2.gz MLFWHEKMBUNZRB-YESZJQIVSA-N 1 1 292.467 3.312 20 30 CGEDMO C[N@H+]1CCC[C@@H](CNc2nc(C(C)(C)C)ccc2C#N)C1 ZINC000613422825 348599936 /nfs/dbraw/zinc/59/99/36/348599936.db2.gz CUNBDCBAGMLQDP-ZDUSSCGKSA-N 1 1 286.423 3.004 20 30 CGEDMO C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C[C@H]1CCCO1 ZINC000614160734 348653580 /nfs/dbraw/zinc/65/35/80/348653580.db2.gz CITUXUDDRAQZAC-MRXNPFEDSA-N 1 1 272.392 3.099 20 30 CGEDMO CCN1CCC([N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614169118 348654213 /nfs/dbraw/zinc/65/42/13/348654213.db2.gz WAWOVTWZTFWABP-UHFFFAOYSA-N 1 1 299.462 3.404 20 30 CGEDMO CC[NH+]1CCC(N(C)Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614169118 348654218 /nfs/dbraw/zinc/65/42/18/348654218.db2.gz WAWOVTWZTFWABP-UHFFFAOYSA-N 1 1 299.462 3.404 20 30 CGEDMO C[C@H]1OCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)[C@H]1C ZINC000614174128 348654970 /nfs/dbraw/zinc/65/49/70/348654970.db2.gz BVCLGYXRAFXDFL-UONOGXRCSA-N 1 1 272.392 3.097 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000614407722 348674943 /nfs/dbraw/zinc/67/49/43/348674943.db2.gz XSUQCDVTGPMWTL-SFHVURJKSA-N 1 1 284.403 3.258 20 30 CGEDMO CCO[C@@H]1CCC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000614461761 348678066 /nfs/dbraw/zinc/67/80/66/348678066.db2.gz VVPKOPLIVGACTK-CZUORRHYSA-N 1 1 258.365 3.120 20 30 CGEDMO C=CC[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC000617777932 349008581 /nfs/dbraw/zinc/00/85/81/349008581.db2.gz ZYYZNWABZXPQMH-LSDHHAIUSA-N 1 1 289.423 3.211 20 30 CGEDMO COC(=O)c1coc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)c1 ZINC000618569891 349107959 /nfs/dbraw/zinc/10/79/59/349107959.db2.gz DZKNVIGBKHVBQS-RYUDHWBXSA-N 1 1 298.342 3.350 20 30 CGEDMO C[N@@H+](CCCCC(C)(C)C#N)CCOC(C)(C)C ZINC000618285819 349067105 /nfs/dbraw/zinc/06/71/05/349067105.db2.gz BLFQAYXYLKNECJ-UHFFFAOYSA-N 1 1 254.418 3.453 20 30 CGEDMO COc1ccccc1[C@H]1CC[N@@H+](C[C@H](C)CCC#N)C1 ZINC000618888213 349176160 /nfs/dbraw/zinc/17/61/60/349176160.db2.gz OKFIPYQSNOKSIT-CABCVRRESA-N 1 1 272.392 3.424 20 30 CGEDMO N#Cc1ccc2c(c1)CC[C@H]2NC1CC[NH+](CC2CC2)CC1 ZINC000618806699 349156983 /nfs/dbraw/zinc/15/69/83/349156983.db2.gz RPDGAQWBTKIRKL-LJQANCHMSA-N 1 1 295.430 3.010 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000618887706 349175536 /nfs/dbraw/zinc/17/55/36/349175536.db2.gz FLNFDYFQVWSCQT-CPUCHLNUSA-N 1 1 272.392 3.250 20 30 CGEDMO COCC[N@H+](CCC#N)C[C@@H](c1ccccc1)C(C)C ZINC000619424195 349247671 /nfs/dbraw/zinc/24/76/71/349247671.db2.gz HRRDDYJDAOEGNC-QGZVFWFLSA-N 1 1 274.408 3.288 20 30 CGEDMO COCC[N@@H+](CCC#N)C[C@@H](c1ccccc1)C(C)C ZINC000619424195 349247676 /nfs/dbraw/zinc/24/76/76/349247676.db2.gz HRRDDYJDAOEGNC-QGZVFWFLSA-N 1 1 274.408 3.288 20 30 CGEDMO COc1cccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)c1F ZINC000619715379 349277825 /nfs/dbraw/zinc/27/78/25/349277825.db2.gz KCMDRLUCSPXRON-UHFFFAOYSA-N 1 1 296.345 3.485 20 30 CGEDMO N#CCC1CC[NH+](CC(=O)c2c[nH]c3ccc(F)cc32)CC1 ZINC000625317889 350157906 /nfs/dbraw/zinc/15/79/06/350157906.db2.gz TUTFQOWUXJPPPJ-UHFFFAOYSA-N 1 1 299.349 3.115 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](C[C@H](O)[C@H](C)c2ccccc2)C1 ZINC000625700659 350199057 /nfs/dbraw/zinc/19/90/57/350199057.db2.gz DPHKSHHSOQTEIP-INMHGKMJSA-N 1 1 259.393 3.049 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(F)c2)C1 ZINC000625702168 350199453 /nfs/dbraw/zinc/19/94/53/350199453.db2.gz DORJILRVHWCVDU-CYBMUJFWSA-N 1 1 276.355 3.052 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CC(=O)Nc2cccc(C)c2C)C1 ZINC000625703639 350199598 /nfs/dbraw/zinc/19/95/98/350199598.db2.gz OAQXVSORRDWEPX-OAHLLOKOSA-N 1 1 272.392 3.140 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625797993 350215059 /nfs/dbraw/zinc/21/50/59/350215059.db2.gz AMULABRKXHRNKZ-KRWDZBQOSA-N 1 1 271.360 3.063 20 30 CGEDMO C=C(C)[C@@H](CO)[N@@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC000625948450 350235304 /nfs/dbraw/zinc/23/53/04/350235304.db2.gz KGOUZOOVSDRWRP-CQSZACIVSA-N 1 1 285.309 3.001 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CCc2c(cccc2C(F)(F)F)C1 ZINC000625948450 350235307 /nfs/dbraw/zinc/23/53/07/350235307.db2.gz KGOUZOOVSDRWRP-CQSZACIVSA-N 1 1 285.309 3.001 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(C)o2)C1 ZINC000628405520 350528622 /nfs/dbraw/zinc/52/86/22/350528622.db2.gz NXLZPDKXRQRXLY-CYBMUJFWSA-N 1 1 271.364 3.376 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cc(F)c(OC)cc2OC)C1 ZINC000628406247 350529872 /nfs/dbraw/zinc/52/98/72/350529872.db2.gz FPKRDCIDGULTMN-LBPRGKRZSA-N 1 1 279.355 3.241 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2c(OC)cc(OC)cc2OC)C1 ZINC000628405645 350530114 /nfs/dbraw/zinc/53/01/14/350530114.db2.gz QJHIQMUJUCVTSN-CYBMUJFWSA-N 1 1 291.391 3.110 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(O)c(OCC)c2)C1 ZINC000628407035 350530678 /nfs/dbraw/zinc/53/06/78/350530678.db2.gz XRGDUAKOCCCBNA-ZDUSSCGKSA-N 1 1 261.365 3.189 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000628544293 350573094 /nfs/dbraw/zinc/57/30/94/350573094.db2.gz AAVUYEDJUBWNCW-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCCCC[N@@H+]1CCNC(=O)[C@@H]1c1ccccc1C ZINC000630031463 350799557 /nfs/dbraw/zinc/79/95/57/350799557.db2.gz UKJBZDJGFQGADN-KRWDZBQOSA-N 1 1 286.419 3.214 20 30 CGEDMO C=CCCCCC[N@H+]1CCNC(=O)[C@@H]1c1ccccc1C ZINC000630031463 350799558 /nfs/dbraw/zinc/79/95/58/350799558.db2.gz UKJBZDJGFQGADN-KRWDZBQOSA-N 1 1 286.419 3.214 20 30 CGEDMO C=C1CC(C)(C(=O)NCc2cccc(C[N@H+](C)CC)c2)C1 ZINC000630806040 350890966 /nfs/dbraw/zinc/89/09/66/350890966.db2.gz PSNMGBCSTZIOBA-UHFFFAOYSA-N 1 1 286.419 3.111 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)C1 ZINC000631544961 351063277 /nfs/dbraw/zinc/06/32/77/351063277.db2.gz WVPQRNKHQKFJQS-KRWDZBQOSA-N 1 1 298.430 3.076 20 30 CGEDMO CC[N@H+](Cc1ccc(F)c(C#N)c1)Cc1ccccn1 ZINC000122085020 187014475 /nfs/dbraw/zinc/01/44/75/187014475.db2.gz DMFRPIKPVATWGB-UHFFFAOYSA-N 1 1 269.323 3.114 20 30 CGEDMO CC[N@@H+](Cc1ccc(F)c(C#N)c1)Cc1ccccn1 ZINC000122085020 187014476 /nfs/dbraw/zinc/01/44/76/187014476.db2.gz DMFRPIKPVATWGB-UHFFFAOYSA-N 1 1 269.323 3.114 20 30 CGEDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000124186138 187125721 /nfs/dbraw/zinc/12/57/21/187125721.db2.gz UFYKRHPTIUGULG-CZUORRHYSA-N 1 1 290.382 3.213 20 30 CGEDMO C#CCOc1ccc([C@@H](C)[NH2+][C@H]2CCCc3c[nH]nc32)cc1 ZINC000271556197 191210756 /nfs/dbraw/zinc/21/07/56/191210756.db2.gz VTRFYSLTUWPIKX-DYVFJYSZSA-N 1 1 295.386 3.150 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000292141321 198179165 /nfs/dbraw/zinc/17/91/65/198179165.db2.gz MLKDVRFEAUZISU-KSSFIOAISA-N 1 1 284.403 3.368 20 30 CGEDMO COC(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)o1 ZINC000271672130 191269931 /nfs/dbraw/zinc/26/99/31/191269931.db2.gz NNUDVONFRDGDCS-VXGBXAGGSA-N 1 1 298.342 3.350 20 30 CGEDMO C[N@@H+]1CCN(Cc2ccc(C#N)s2)[C@H](c2ccccc2)C1 ZINC000155224883 188191529 /nfs/dbraw/zinc/19/15/29/188191529.db2.gz WRIIJFUMPHQTBF-KRWDZBQOSA-N 1 1 297.427 3.108 20 30 CGEDMO C[N@H+]1CCN(Cc2ccc(C#N)s2)[C@H](c2ccccc2)C1 ZINC000155224883 188191530 /nfs/dbraw/zinc/19/15/30/188191530.db2.gz WRIIJFUMPHQTBF-KRWDZBQOSA-N 1 1 297.427 3.108 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cncc(Br)c1 ZINC000172325064 188795695 /nfs/dbraw/zinc/79/56/95/188795695.db2.gz TVRYXBABNSMGBQ-UHFFFAOYSA-N 1 1 269.186 3.242 20 30 CGEDMO CCC[N@H+]1CC[C@@H](CN[C@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000271900032 191399495 /nfs/dbraw/zinc/39/94/95/191399495.db2.gz AFMKHIPPWFFTND-KGLIPLIRSA-N 1 1 289.398 3.080 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2C2CCCC2)nc1 ZINC000514704823 283140276 /nfs/dbraw/zinc/14/02/76/283140276.db2.gz SISSEFAFQNKZKF-MRXNPFEDSA-N 1 1 255.365 3.108 20 30 CGEDMO CCCO[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000108393271 138360080 /nfs/dbraw/zinc/36/00/80/138360080.db2.gz JCSVPOIKOLOPJZ-MRXNPFEDSA-N 1 1 290.382 3.478 20 30 CGEDMO CC[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000124610806 138376201 /nfs/dbraw/zinc/37/62/01/138376201.db2.gz JLLRRFVEUQJWDN-SWLSCSKDSA-N 1 1 258.365 3.330 20 30 CGEDMO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000336265738 213103098 /nfs/dbraw/zinc/10/30/98/213103098.db2.gz NYLPNVRBBWATNS-HNNXBMFYSA-N 1 1 295.361 3.472 20 30 CGEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000336265738 213103101 /nfs/dbraw/zinc/10/31/01/213103101.db2.gz NYLPNVRBBWATNS-HNNXBMFYSA-N 1 1 295.361 3.472 20 30 CGEDMO Cc1cc(C(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)c(C)[nH]1 ZINC000425541275 236258511 /nfs/dbraw/zinc/25/85/11/236258511.db2.gz WJVXQCGCPWKNDG-CQSZACIVSA-N 1 1 295.386 3.379 20 30 CGEDMO Cc1cc(C(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)c(C)[nH]1 ZINC000425541275 236258512 /nfs/dbraw/zinc/25/85/12/236258512.db2.gz WJVXQCGCPWKNDG-CQSZACIVSA-N 1 1 295.386 3.379 20 30 CGEDMO CO[C@H](C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1)C1CC1 ZINC000425413551 236245825 /nfs/dbraw/zinc/24/58/25/236245825.db2.gz BREARUCMSOBYQS-GOSISDBHSA-N 1 1 282.387 3.072 20 30 CGEDMO Cc1cccc(NCCNc2c(F)cc(C#N)cc2F)[nH+]1 ZINC000427369183 236328476 /nfs/dbraw/zinc/32/84/76/236328476.db2.gz DDDBQPXVJVDMJR-UHFFFAOYSA-N 1 1 288.301 3.064 20 30 CGEDMO C[C@H]([NH2+]Cc1cn2ccccc2n1)c1cccc(C#N)c1 ZINC000341775246 216098668 /nfs/dbraw/zinc/09/86/68/216098668.db2.gz IKSARQNCUKKGGB-ZDUSSCGKSA-N 1 1 276.343 3.057 20 30 CGEDMO CC(C)[C@H](C)[N@@H+](C)Cc1cn2ccccc2c1C#N ZINC000341805950 216112565 /nfs/dbraw/zinc/11/25/65/216112565.db2.gz FQTAHGVPBYNPOW-ZDUSSCGKSA-N 1 1 255.365 3.287 20 30 CGEDMO C[C@H](c1ccccn1)[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000177159810 189032902 /nfs/dbraw/zinc/03/29/02/189032902.db2.gz HUMMBUHKMWUOPT-CQSZACIVSA-N 1 1 281.359 3.025 20 30 CGEDMO C[C@@H]([N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1)C1(C)CC1 ZINC000177223074 189037276 /nfs/dbraw/zinc/03/72/76/189037276.db2.gz FPZPNMSQAAPHJR-GFCCVEGCSA-N 1 1 296.374 3.229 20 30 CGEDMO CC[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C1CCCC1 ZINC000342004183 216183553 /nfs/dbraw/zinc/18/35/53/216183553.db2.gz YPPVAQDVMQBUML-UHFFFAOYSA-N 1 1 296.374 3.373 20 30 CGEDMO Cc1c([C@H](C)[NH2+]Cc2ccc(C#N)cc2Cl)cnn1C ZINC000439454832 238256100 /nfs/dbraw/zinc/25/61/00/238256100.db2.gz SPNIZAZGHVXFPC-JTQLQIEISA-N 1 1 288.782 3.104 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@@H]2CCCOc3c(F)cccc32)o1 ZINC000180447217 189256179 /nfs/dbraw/zinc/25/61/79/189256179.db2.gz ZTUYCQZPUWADJE-OAHLLOKOSA-N 1 1 286.306 3.294 20 30 CGEDMO CCCCC[N@@H+](CCCOC)Cc1ccc(C#N)o1 ZINC000180876650 189281288 /nfs/dbraw/zinc/28/12/88/189281288.db2.gz MPRBRDPNFMEAOY-UHFFFAOYSA-N 1 1 264.369 3.180 20 30 CGEDMO COc1ccccc1CC[N@@H+](C)Cc1ccc(C#N)s1 ZINC000119466000 370678276 /nfs/dbraw/zinc/67/82/76/370678276.db2.gz SPXHMNXEAUFYID-UHFFFAOYSA-N 1 1 286.400 3.303 20 30 CGEDMO CC(C)CO[C@H]1CC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000119566466 370687585 /nfs/dbraw/zinc/68/75/85/370687585.db2.gz NPJFYQOXBYKZOY-YOEHRIQHSA-N 1 1 272.392 3.366 20 30 CGEDMO N#Cc1ccc(NC[C@H]2CCC[N@H+]2Cc2ccccc2)cn1 ZINC000301541706 201059511 /nfs/dbraw/zinc/05/95/11/201059511.db2.gz VNBICEBCLCJFLL-GOSISDBHSA-N 1 1 292.386 3.030 20 30 CGEDMO CC(=O)c1ccc(C#N)cc1NCC[N@@H+]1CCCC[C@@H]1C ZINC000302088792 201337546 /nfs/dbraw/zinc/33/75/46/201337546.db2.gz FZHLGUVROYWHMD-ZDUSSCGKSA-N 1 1 285.391 3.047 20 30 CGEDMO CC(=O)c1ccc(C#N)cc1NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000302110097 201344297 /nfs/dbraw/zinc/34/42/97/201344297.db2.gz PCQGEHKMIDRBNL-MRXNPFEDSA-N 1 1 299.418 3.151 20 30 CGEDMO CC(C)[N@@H+](Cc1cn2ccccc2c1C#N)C1CCOCC1 ZINC000119658235 370696563 /nfs/dbraw/zinc/69/65/63/370696563.db2.gz MVTDSNQRXOHFOB-UHFFFAOYSA-N 1 1 297.402 3.200 20 30 CGEDMO CN(C)c1cccc(C[N@@H+](C)CCC(C)(C)C#N)c1 ZINC000119750485 370705910 /nfs/dbraw/zinc/70/59/10/370705910.db2.gz INQXDCVSBJFNMA-UHFFFAOYSA-N 1 1 259.397 3.124 20 30 CGEDMO CC[N@H+](Cc1ccc(C#N)o1)Cc1cccc(F)c1 ZINC000120012550 370731823 /nfs/dbraw/zinc/73/18/23/370731823.db2.gz SPLTUZLINSJZTF-UHFFFAOYSA-N 1 1 258.296 3.312 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)o1)Cc1cccc(F)c1 ZINC000120012550 370731829 /nfs/dbraw/zinc/73/18/29/370731829.db2.gz SPLTUZLINSJZTF-UHFFFAOYSA-N 1 1 258.296 3.312 20 30 CGEDMO CC(C)(C#N)CCC[N@@H+](Cc1ccncc1)C1CC1 ZINC000119775025 370708561 /nfs/dbraw/zinc/70/85/61/370708561.db2.gz CDTKKJFCIMXWFR-UHFFFAOYSA-N 1 1 257.381 3.376 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1 ZINC000335675763 212396223 /nfs/dbraw/zinc/39/62/23/212396223.db2.gz MWDDRDHXBJGPOH-HUUCEWRRSA-N 1 1 288.416 3.153 20 30 CGEDMO N#Cc1csc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1 ZINC000335675763 212396225 /nfs/dbraw/zinc/39/62/25/212396225.db2.gz MWDDRDHXBJGPOH-HUUCEWRRSA-N 1 1 288.416 3.153 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@]3(CCSC3)C2)c1 ZINC000335578293 212288980 /nfs/dbraw/zinc/28/89/80/212288980.db2.gz FVFAOSMVUANKMG-MRXNPFEDSA-N 1 1 272.417 3.277 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000121096787 370829878 /nfs/dbraw/zinc/82/98/78/370829878.db2.gz YRGVABAPPFMCRE-ZDUSSCGKSA-N 1 1 285.334 3.047 20 30 CGEDMO Cc1ccc2c(c1)CC[N@H+](CCOc1ccccc1C#N)C2 ZINC000484012562 243306498 /nfs/dbraw/zinc/30/64/98/243306498.db2.gz STPVWWAXNJGKDW-UHFFFAOYSA-N 1 1 292.382 3.304 20 30 CGEDMO CC[C@H]1CCCC[N@H+]1CCOc1ccccc1C#N ZINC000034674500 368977613 /nfs/dbraw/zinc/97/76/13/368977613.db2.gz PCAHKZKLZXHAIW-HNNXBMFYSA-N 1 1 258.365 3.202 20 30 CGEDMO CCC(CC)[N@@H+](CCOC)Cc1ccc(C#N)cc1F ZINC000042616408 369227119 /nfs/dbraw/zinc/22/71/19/369227119.db2.gz JSGDGHQJKCNWMF-UHFFFAOYSA-N 1 1 278.371 3.334 20 30 CGEDMO CCCCC[N@@H+](CC(=O)Nc1sccc1C#N)C(C)C ZINC000046018021 369289103 /nfs/dbraw/zinc/28/91/03/369289103.db2.gz LDKOZHRSCMYRMO-UHFFFAOYSA-N 1 1 293.436 3.459 20 30 CGEDMO C=CCC[N@H+](C)Cc1ccc(OC)c(OC)c1Cl ZINC000276101675 193213685 /nfs/dbraw/zinc/21/36/85/193213685.db2.gz FVZUPWVUUNOFIP-UHFFFAOYSA-N 1 1 269.772 3.365 20 30 CGEDMO C[N@@H+](CCc1ccccc1)Cc1ccccc1C#N ZINC000051998504 369461479 /nfs/dbraw/zinc/46/14/79/369461479.db2.gz JWEXLUUIQKWDGD-UHFFFAOYSA-N 1 1 250.345 3.233 20 30 CGEDMO C=CCC[N@H+](C)Cc1cnc([C@@H]2CCCO2)s1 ZINC000276115962 193218036 /nfs/dbraw/zinc/21/80/36/193218036.db2.gz IQQMGTJTMUIDHW-LBPRGKRZSA-N 1 1 252.383 3.003 20 30 CGEDMO Cc1ccc(C[N@H+](C)CC#Cc2ccc(F)cc2)o1 ZINC000127671146 370955871 /nfs/dbraw/zinc/95/58/71/370955871.db2.gz KPORQIGHTXBOCG-UHFFFAOYSA-N 1 1 257.308 3.211 20 30 CGEDMO Cc1ccc(C[N@@H+](C)CC#Cc2ccc(F)cc2)o1 ZINC000127671146 370955875 /nfs/dbraw/zinc/95/58/75/370955875.db2.gz KPORQIGHTXBOCG-UHFFFAOYSA-N 1 1 257.308 3.211 20 30 CGEDMO CC[N@H+](CCOc1ccccc1Cl)C[C@@H](C)C#N ZINC000128014423 370957307 /nfs/dbraw/zinc/95/73/07/370957307.db2.gz XGOLXURIZAZTQM-LBPRGKRZSA-N 1 1 266.772 3.200 20 30 CGEDMO CC[N@@H+](CCOc1ccccc1Cl)C[C@@H](C)C#N ZINC000128014423 370957310 /nfs/dbraw/zinc/95/73/10/370957310.db2.gz XGOLXURIZAZTQM-LBPRGKRZSA-N 1 1 266.772 3.200 20 30 CGEDMO C#CCCC[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000276233444 193251824 /nfs/dbraw/zinc/25/18/24/193251824.db2.gz NNNSHZFGEKUNOW-IAGOWNOFSA-N 1 1 284.447 3.146 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCSC[C@@H]1c1ccc(C)cc1 ZINC000129275312 370980185 /nfs/dbraw/zinc/98/01/85/370980185.db2.gz NTVSLUUPASHYRD-IAGOWNOFSA-N 1 1 291.460 3.412 20 30 CGEDMO C=CCC[N@H+](C)Cc1cccc(SC(=O)N(C)C)c1 ZINC000276492784 193355137 /nfs/dbraw/zinc/35/51/37/193355137.db2.gz VAENERUICPOCRC-UHFFFAOYSA-N 1 1 278.421 3.468 20 30 CGEDMO C[N@@H+](CCCCO)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000276476243 193348286 /nfs/dbraw/zinc/34/82/86/193348286.db2.gz ZMUIRDSZOZGPCN-UHFFFAOYSA-N 1 1 294.398 3.430 20 30 CGEDMO C[C@H](c1ccco1)[N@@H+](C)CCOc1ccccc1C#N ZINC000069065309 369753679 /nfs/dbraw/zinc/75/36/79/369753679.db2.gz WWTHQBKQIBGISU-CYBMUJFWSA-N 1 1 270.332 3.223 20 30 CGEDMO C=C(C)CN1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000072974864 369846281 /nfs/dbraw/zinc/84/62/81/369846281.db2.gz MSSZNOIEVXFTKW-HZPDHXFCSA-N 1 1 250.430 3.149 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NC)c1 ZINC000072958715 369846816 /nfs/dbraw/zinc/84/68/16/369846816.db2.gz NGHPHBAKNKQAMY-UHFFFAOYSA-N 1 1 294.398 3.234 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)N[C@H]1CCCc2ccccc21 ZINC000076736158 369941028 /nfs/dbraw/zinc/94/10/28/369941028.db2.gz PXBLNJXXAGRJSH-KRWDZBQOSA-N 1 1 286.419 3.078 20 30 CGEDMO CC[N@@H+](Cc1cccc(OCCCOC)c1)C[C@H](C)C#N ZINC000091984224 370086585 /nfs/dbraw/zinc/08/65/85/370086585.db2.gz IKCALYCFWOGMKY-OAHLLOKOSA-N 1 1 290.407 3.083 20 30 CGEDMO CC[N@H+](Cc1cccc(OCCCOC)c1)C[C@H](C)C#N ZINC000091984224 370086592 /nfs/dbraw/zinc/08/65/92/370086592.db2.gz IKCALYCFWOGMKY-OAHLLOKOSA-N 1 1 290.407 3.083 20 30 CGEDMO COc1ccc(C[N@@H+](C)CC(C)(C)CCC#N)cc1O ZINC000092405361 370096479 /nfs/dbraw/zinc/09/64/79/370096479.db2.gz VEBGXMOCNQUEKZ-UHFFFAOYSA-N 1 1 276.380 3.163 20 30 CGEDMO N#CCC[C@H]([NH2+]Cc1ccccn1)c1ccccc1 ZINC000130583306 371044315 /nfs/dbraw/zinc/04/43/15/371044315.db2.gz IVOHLESUJBOSAF-INIZCTEOSA-N 1 1 251.333 3.216 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(Cl)cc1)[C@H](CO)C(C)(C)C ZINC000134435276 371336335 /nfs/dbraw/zinc/33/63/35/371336335.db2.gz YDIUPXGOOQYKQM-OAHLLOKOSA-N 1 1 279.811 3.030 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@H](C)C2(C)CC2)cc1C#N ZINC000135138677 371394346 /nfs/dbraw/zinc/39/43/46/371394346.db2.gz BXVGHDMMKXYIII-GFCCVEGCSA-N 1 1 258.365 3.187 20 30 CGEDMO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)CCCC(C)(C)C#N ZINC000135560962 371434902 /nfs/dbraw/zinc/43/49/02/371434902.db2.gz ZSCFTNRRSQONIJ-AWEZNQCLSA-N 1 1 274.412 3.059 20 30 CGEDMO CN(C)Cc1ccc(C[NH2+]Cc2ccc(C#N)cc2)cc1F ZINC000136079902 371460244 /nfs/dbraw/zinc/46/02/44/371460244.db2.gz YAMBQFMQZOPXAG-UHFFFAOYSA-N 1 1 297.377 3.049 20 30 CGEDMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)CCCSCC#N ZINC000140656878 371512470 /nfs/dbraw/zinc/51/24/70/371512470.db2.gz HTJIEULPGAEBJE-KBPBESRZSA-N 1 1 284.469 3.159 20 30 CGEDMO Cc1nsc(NCCCC[N@@H+]2CCC[C@@H](C)C2)c1C#N ZINC000286537412 371515312 /nfs/dbraw/zinc/51/53/12/371515312.db2.gz YPDCPVHYCJTGLB-GFCCVEGCSA-N 1 1 292.452 3.247 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000150876501 371544298 /nfs/dbraw/zinc/54/42/98/371544298.db2.gz BYMJGNGHLQSENH-ZIAGYGMSSA-N 1 1 293.432 3.112 20 30 CGEDMO C[N@H+](Cc1ccc(Br)cc1C#N)CC1CC1 ZINC000287185564 371617593 /nfs/dbraw/zinc/61/75/93/371617593.db2.gz HLFFELRCAZPYFS-UHFFFAOYSA-N 1 1 279.181 3.163 20 30 CGEDMO C#CCCC[N@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000287233973 371624595 /nfs/dbraw/zinc/62/45/95/371624595.db2.gz GDIOQZATWWXCRL-AWEZNQCLSA-N 1 1 273.380 3.278 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000287420986 371654417 /nfs/dbraw/zinc/65/44/17/371654417.db2.gz OZWCVFWEARWTGV-QWHCGFSZSA-N 1 1 277.368 3.024 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000287420986 371654426 /nfs/dbraw/zinc/65/44/26/371654426.db2.gz OZWCVFWEARWTGV-QWHCGFSZSA-N 1 1 277.368 3.024 20 30 CGEDMO CC[N@@H+](Cc1cc(C#N)ccc1F)[C@@H]1CCOC(C)(C)C1 ZINC000289813743 371830217 /nfs/dbraw/zinc/83/02/17/371830217.db2.gz NQIZDWYRKFNEDV-OAHLLOKOSA-N 1 1 290.382 3.477 20 30 CGEDMO CC(C)[N@@H+](Cc1ccn(C)c1)Cc1ccc(C#N)cc1 ZINC000154373232 371840755 /nfs/dbraw/zinc/84/07/55/371840755.db2.gz JDEDQJOEPAKEGI-UHFFFAOYSA-N 1 1 267.376 3.307 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(Cl)cc1)CC1CCOCC1 ZINC000155788418 371945119 /nfs/dbraw/zinc/94/51/19/371945119.db2.gz GDWYRXTWPWTWNK-UHFFFAOYSA-N 1 1 277.795 3.050 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000344100575 217048832 /nfs/dbraw/zinc/04/88/32/217048832.db2.gz NIBXWEJLSZWMPS-AWEZNQCLSA-N 1 1 258.340 3.319 20 30 CGEDMO CC[N@H+](CCOc1c(C)cccc1C)C[C@@H](C)C#N ZINC000157638438 372031673 /nfs/dbraw/zinc/03/16/73/372031673.db2.gz VPLLNRQPBWMIOL-ZDUSSCGKSA-N 1 1 260.381 3.164 20 30 CGEDMO CC[N@@H+](CCOc1c(C)cccc1C)C[C@@H](C)C#N ZINC000157638438 372031675 /nfs/dbraw/zinc/03/16/75/372031675.db2.gz VPLLNRQPBWMIOL-ZDUSSCGKSA-N 1 1 260.381 3.164 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cc1ccncc1 ZINC000157092964 372007425 /nfs/dbraw/zinc/00/74/25/372007425.db2.gz MWZBUBMUWWLITP-ZWKOTPCHSA-N 1 1 277.371 3.353 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cc1ccncc1 ZINC000157092964 372007434 /nfs/dbraw/zinc/00/74/34/372007434.db2.gz MWZBUBMUWWLITP-ZWKOTPCHSA-N 1 1 277.371 3.353 20 30 CGEDMO C=CCCNc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000157155864 372008870 /nfs/dbraw/zinc/00/88/70/372008870.db2.gz LSKZTNFDTIKWKL-GASCZTMLSA-N 1 1 274.408 3.284 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(F)cc1)C(C1CC1)C1CC1 ZINC000157289133 372013830 /nfs/dbraw/zinc/01/38/30/372013830.db2.gz HYNOZKCQBWNTNN-UHFFFAOYSA-N 1 1 257.352 3.298 20 30 CGEDMO CCCCCCC[N@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000158332558 372064592 /nfs/dbraw/zinc/06/45/92/372064592.db2.gz HBOSSAFWGWMGNB-OWCLPIDISA-N 1 1 269.429 3.225 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(OC)c2c(c1)OCCO2 ZINC000426569502 372165396 /nfs/dbraw/zinc/16/53/96/372165396.db2.gz AVAYUFKDDYQJES-CQSZACIVSA-N 1 1 289.375 3.007 20 30 CGEDMO C#Cc1ccc(C[N@H+](CC)[C@H]2CCOC(C)(C)C2)cc1 ZINC000291616144 372171106 /nfs/dbraw/zinc/17/11/06/372171106.db2.gz RHUIDBHUXOURPX-KRWDZBQOSA-N 1 1 271.404 3.447 20 30 CGEDMO C[C@H]1C[N@H+](Cc2ccc(C#N)s2)Cc2ccccc2O1 ZINC000292895692 372241994 /nfs/dbraw/zinc/24/19/94/372241994.db2.gz ZLAFVAHWXHGIAZ-LBPRGKRZSA-N 1 1 284.384 3.403 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)s2)Cc2ccccc2O1 ZINC000292895692 372241999 /nfs/dbraw/zinc/24/19/99/372241999.db2.gz ZLAFVAHWXHGIAZ-LBPRGKRZSA-N 1 1 284.384 3.403 20 30 CGEDMO C=CC[N@@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@H]1C ZINC000428992125 372299378 /nfs/dbraw/zinc/29/93/78/372299378.db2.gz ADPOXMBMOAVDSX-LLVKDONJSA-N 1 1 268.763 3.176 20 30 CGEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](CCCC3CCCC3)C2)nc1 ZINC000428799778 372264346 /nfs/dbraw/zinc/26/43/46/372264346.db2.gz BLMRDSGWAWMYNC-KRWDZBQOSA-N 1 1 299.418 3.377 20 30 CGEDMO C[C@@H]1CN(CCCC(C)(C)C#N)CC[N@H+](C2CCC2)C1 ZINC000429396843 372359748 /nfs/dbraw/zinc/35/97/48/372359748.db2.gz CZNCBVMQLWRXTO-OAHLLOKOSA-N 1 1 277.456 3.123 20 30 CGEDMO C[C@H]1CN(C2CCC2)CC[N@H+](CCCC(C)(C)C#N)C1 ZINC000429396843 372359751 /nfs/dbraw/zinc/35/97/51/372359751.db2.gz CZNCBVMQLWRXTO-OAHLLOKOSA-N 1 1 277.456 3.123 20 30 CGEDMO C[C@H]1CN(C2CCC2)CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000429396843 372359752 /nfs/dbraw/zinc/35/97/52/372359752.db2.gz CZNCBVMQLWRXTO-OAHLLOKOSA-N 1 1 277.456 3.123 20 30 CGEDMO Cc1ccc(C#N)c(NC[C@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC000161388331 372319085 /nfs/dbraw/zinc/31/90/85/372319085.db2.gz RDBMZMGXKPAAHU-HNNXBMFYSA-N 1 1 294.402 3.194 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000429706742 372377152 /nfs/dbraw/zinc/37/71/52/372377152.db2.gz HGJXUODMIIMWFQ-AWEZNQCLSA-N 1 1 291.395 3.096 20 30 CGEDMO C=CCN(C)CC[N@@H+](CC)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000429706742 372377158 /nfs/dbraw/zinc/37/71/58/372377158.db2.gz HGJXUODMIIMWFQ-AWEZNQCLSA-N 1 1 291.395 3.096 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000429706742 372377163 /nfs/dbraw/zinc/37/71/63/372377163.db2.gz HGJXUODMIIMWFQ-AWEZNQCLSA-N 1 1 291.395 3.096 20 30 CGEDMO C=CCN(C)CC[N@H+](CC)[C@@H](C)c1cccc(F)c1 ZINC000429726243 372378156 /nfs/dbraw/zinc/37/81/56/372378156.db2.gz UPSIWCMSZBYNJH-AWEZNQCLSA-N 1 1 264.388 3.326 20 30 CGEDMO C=CC[N@@H+](C)CCN(CC)[C@@H](C)c1cccc(F)c1 ZINC000429726243 372378161 /nfs/dbraw/zinc/37/81/61/372378161.db2.gz UPSIWCMSZBYNJH-AWEZNQCLSA-N 1 1 264.388 3.326 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)[C@@H](C)c1cccc(F)c1 ZINC000429726243 372378169 /nfs/dbraw/zinc/37/81/69/372378169.db2.gz UPSIWCMSZBYNJH-AWEZNQCLSA-N 1 1 264.388 3.326 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000429888130 372379120 /nfs/dbraw/zinc/37/91/20/372379120.db2.gz FKNPAXFBFMIUME-XHSDSOJGSA-N 1 1 292.467 3.453 20 30 CGEDMO C=CCOc1cccc(C[N@H+](C)C(C)(C)COC)c1 ZINC000430171817 372386348 /nfs/dbraw/zinc/38/63/48/372386348.db2.gz WLAJORJJSLJOAE-UHFFFAOYSA-N 1 1 263.381 3.108 20 30 CGEDMO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC3(CC#N)CC3)CC2)C1 ZINC000430766645 372396798 /nfs/dbraw/zinc/39/67/98/372396798.db2.gz XOLVDWBNUHSOTC-NVXWUHKLSA-N 1 1 289.467 3.313 20 30 CGEDMO CCCc1[nH+]ccn1Cc1ccc(C#N)cc1Cl ZINC000162953167 372436907 /nfs/dbraw/zinc/43/69/07/372436907.db2.gz WCLIEEHJPGKKEO-UHFFFAOYSA-N 1 1 259.740 3.409 20 30 CGEDMO C[N@@H+](CCSCC1(C#N)CC1)Cc1ccccc1 ZINC000433023441 372578997 /nfs/dbraw/zinc/57/89/97/372578997.db2.gz PXNXPWCPRJMQJI-UHFFFAOYSA-N 1 1 260.406 3.155 20 30 CGEDMO C=CCCC[C@@H](C)[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000433051101 372580731 /nfs/dbraw/zinc/58/07/31/372580731.db2.gz GCUFICVXXBKVTQ-WBVHZDCISA-N 1 1 261.409 3.267 20 30 CGEDMO C[N@H+](Cc1ccccc1C(C)(C)C#N)CC(C)(C)C#N ZINC000433320024 372591457 /nfs/dbraw/zinc/59/14/57/372591457.db2.gz KKALYVYYGKCUPZ-UHFFFAOYSA-N 1 1 269.392 3.469 20 30 CGEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)CC(C)(C)C#N ZINC000433320024 372591462 /nfs/dbraw/zinc/59/14/62/372591462.db2.gz KKALYVYYGKCUPZ-UHFFFAOYSA-N 1 1 269.392 3.469 20 30 CGEDMO C[N@@H+](C[C@@H]1CCc2ccccc2C1)CC(C)(C)C#N ZINC000433325313 372592262 /nfs/dbraw/zinc/59/22/62/372592262.db2.gz ILFJZZGGTWSWON-CQSZACIVSA-N 1 1 256.393 3.273 20 30 CGEDMO N#Cc1ccc(NC[C@H]2CCCC[N@H+]2C2CC2)c(F)c1 ZINC000433808505 372635174 /nfs/dbraw/zinc/63/51/74/372635174.db2.gz CWOWTHDHFICBTG-CQSZACIVSA-N 1 1 273.355 3.126 20 30 CGEDMO N#Cc1cc(F)c(NC[C@@H]2CCCC[N@H+]2C2CC2)c(F)c1 ZINC000433821294 372635892 /nfs/dbraw/zinc/63/58/92/372635892.db2.gz OWSQASFDMKGQBA-ZDUSSCGKSA-N 1 1 291.345 3.265 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCSC(C)(C)CC1 ZINC000434667466 372700275 /nfs/dbraw/zinc/70/02/75/372700275.db2.gz XEJDYCINWISEFZ-CQSZACIVSA-N 1 1 298.496 3.017 20 30 CGEDMO CCOC(=O)CCC[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000171032843 372702956 /nfs/dbraw/zinc/70/29/56/372702956.db2.gz FXUXPMHQWYBULA-AWEZNQCLSA-N 1 1 288.391 3.284 20 30 CGEDMO C=CCOc1ccc(CN2CCC[N@H+](C)CC2)cc1Cl ZINC000435234088 372743127 /nfs/dbraw/zinc/74/31/27/372743127.db2.gz YUIXWSDDWIMEKO-UHFFFAOYSA-N 1 1 294.826 3.042 20 30 CGEDMO CC[C@H](C)C[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000171948900 372864533 /nfs/dbraw/zinc/86/45/33/372864533.db2.gz OTLKQRFQZQESAK-NSHDSACASA-N 1 1 293.798 3.128 20 30 CGEDMO C=CCCCC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437867907 372859317 /nfs/dbraw/zinc/85/93/17/372859317.db2.gz OXZBFISNTCMBOS-MRXNPFEDSA-N 1 1 278.440 3.256 20 30 CGEDMO N#Cc1ccc(C[N@@H+](CCc2cccnc2)C2CC2)cc1 ZINC000172157854 372914122 /nfs/dbraw/zinc/91/41/22/372914122.db2.gz MXBUJAPRHBGLGV-UHFFFAOYSA-N 1 1 277.371 3.160 20 30 CGEDMO CC[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)CC(C)C ZINC000172171349 372918499 /nfs/dbraw/zinc/91/84/99/372918499.db2.gz AZINEXGMQRXVMY-UHFFFAOYSA-N 1 1 293.798 3.128 20 30 CGEDMO C[C@@H]1Cc2[nH+]cn(Cc3ccc(C#N)cc3F)c2C[C@@H]1C ZINC000295932155 372964716 /nfs/dbraw/zinc/96/47/16/372964716.db2.gz KIBQBTDPEZLCJO-NEPJUHHUSA-N 1 1 283.350 3.313 20 30 CGEDMO CCc1nc(C(C)(C)[NH2+]CCCCC(C)(C)C#N)no1 ZINC000441270136 373000464 /nfs/dbraw/zinc/00/04/64/373000464.db2.gz NWKWDRITPLWHBV-UHFFFAOYSA-N 1 1 278.400 3.177 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441294170 373001109 /nfs/dbraw/zinc/00/11/09/373001109.db2.gz NHZZMBVNZKPRGJ-FHLIZLRMSA-N 1 1 284.403 3.368 20 30 CGEDMO CC[N@@H+](CCC(=O)OC(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000172721617 373021544 /nfs/dbraw/zinc/02/15/44/373021544.db2.gz YUPHAHVDPGIDHW-AWEZNQCLSA-N 1 1 288.391 3.283 20 30 CGEDMO N#C[C@@H]1CC[C@H](NC[C@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC000442764292 373075088 /nfs/dbraw/zinc/07/50/88/373075088.db2.gz HTTBNLGAQQWHPC-FGTMMUONSA-N 1 1 289.467 3.313 20 30 CGEDMO N#C[C@@H]1CC[C@H](NC[C@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC000442764292 373075100 /nfs/dbraw/zinc/07/51/00/373075100.db2.gz HTTBNLGAQQWHPC-FGTMMUONSA-N 1 1 289.467 3.313 20 30 CGEDMO N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCN2CC2CCCCC2)C1 ZINC000442764292 373075105 /nfs/dbraw/zinc/07/51/05/373075105.db2.gz HTTBNLGAQQWHPC-FGTMMUONSA-N 1 1 289.467 3.313 20 30 CGEDMO C[C@H](c1cccc(N[C@@H]2CC[C@@H](C#N)C2)c1)[NH+]1CCOCC1 ZINC000442863221 373109963 /nfs/dbraw/zinc/10/99/63/373109963.db2.gz WYWGIXCNAXKINH-IIDMSEBBSA-N 1 1 299.418 3.184 20 30 CGEDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CC#Cc1ccccc1Cl ZINC000443327764 373150538 /nfs/dbraw/zinc/15/05/38/373150538.db2.gz CWLHAEPZFNUPFG-KEYYUXOJSA-N 1 1 291.822 3.173 20 30 CGEDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CC#Cc1ccccc1Cl ZINC000443327764 373150548 /nfs/dbraw/zinc/15/05/48/373150548.db2.gz CWLHAEPZFNUPFG-KEYYUXOJSA-N 1 1 291.822 3.173 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)c1 ZINC000443779165 373161276 /nfs/dbraw/zinc/16/12/76/373161276.db2.gz ILWJMDASALPRNN-MPGHIAIKSA-N 1 1 289.419 3.233 20 30 CGEDMO CC[N@H+](CCOc1ccc(SC)cc1)C[C@@H](C)C#N ZINC000173598488 373164972 /nfs/dbraw/zinc/16/49/72/373164972.db2.gz UUYMSOGOYMIAAO-ZDUSSCGKSA-N 1 1 278.421 3.269 20 30 CGEDMO CC[N@@H+](CCOc1ccc(SC)cc1)C[C@@H](C)C#N ZINC000173598488 373164978 /nfs/dbraw/zinc/16/49/78/373164978.db2.gz UUYMSOGOYMIAAO-ZDUSSCGKSA-N 1 1 278.421 3.269 20 30 CGEDMO C=CC[C@@H]1[N@@H+](CCC(=O)N2CCC[C@@H]2C)CCCC1(C)C ZINC000444779256 373271349 /nfs/dbraw/zinc/27/13/49/373271349.db2.gz BKUNZYVYCDPSDN-HOTGVXAUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2nccn2CC)CCCC1(C)C ZINC000444780496 373272818 /nfs/dbraw/zinc/27/28/18/373272818.db2.gz FLIBNMFXBVJQHY-AWEZNQCLSA-N 1 1 261.413 3.470 20 30 CGEDMO C=CC[C@H]1[N@H+](CCOCC2CC2)CCCC1(C)C ZINC000444785596 373274234 /nfs/dbraw/zinc/27/42/34/373274234.db2.gz YSIZROYTWUWQQN-OAHLLOKOSA-N 1 1 251.414 3.480 20 30 CGEDMO CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@H]1CCCC[C@H]1C ZINC000444677834 373231602 /nfs/dbraw/zinc/23/16/02/373231602.db2.gz QIALXTULFNEKIK-PBHICJAKSA-N 1 1 299.418 3.397 20 30 CGEDMO C[C@H]1CC[C@](CO)([N@@H+](C)CCCCC(C)(C)C#N)C1 ZINC000444687750 373236774 /nfs/dbraw/zinc/23/67/74/373236774.db2.gz WJRVANIYLQBMHW-HOCLYGCPSA-N 1 1 266.429 3.189 20 30 CGEDMO N#Cc1c(Cl)cccc1N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000297190517 373261403 /nfs/dbraw/zinc/26/14/03/373261403.db2.gz QPIZXGPXYJMMSM-LLVKDONJSA-N 1 1 286.766 3.319 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCCC(C)(C)[C@H]1CC=C ZINC000444776936 373270627 /nfs/dbraw/zinc/27/06/27/373270627.db2.gz QPFSXLZSAOOLRR-HUUCEWRRSA-N 1 1 251.414 3.380 20 30 CGEDMO C=C(CC)C[N@@H+](C[C@@H](O)COc1ccccc1)C(C)C ZINC000444820917 373281206 /nfs/dbraw/zinc/28/12/06/373281206.db2.gz XFNZAADMAOQNLP-MRXNPFEDSA-N 1 1 277.408 3.103 20 30 CGEDMO Cc1cc(C[N@H+](CCN(C)C)C2CCCC2)ccc1C#N ZINC000446796747 373361389 /nfs/dbraw/zinc/36/13/89/373361389.db2.gz SKWGQQAYXFVNNA-UHFFFAOYSA-N 1 1 285.435 3.173 20 30 CGEDMO Cc1cc(CN(CC[NH+](C)C)C2CCCC2)ccc1C#N ZINC000446796747 373361394 /nfs/dbraw/zinc/36/13/94/373361394.db2.gz SKWGQQAYXFVNNA-UHFFFAOYSA-N 1 1 285.435 3.173 20 30 CGEDMO C[C@H](C1CC1)[N@@H+](Cc1ccc(F)c(C#N)c1)C1CC1 ZINC000176808288 373631138 /nfs/dbraw/zinc/63/11/38/373631138.db2.gz IWYLLTKXJGRZRA-LLVKDONJSA-N 1 1 258.340 3.460 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000448774705 373639726 /nfs/dbraw/zinc/63/97/26/373639726.db2.gz MGBPMUCPALFZFW-GDBMZVCRSA-N 1 1 286.419 3.150 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC(C[N@H+](C)CCCC)CC1 ZINC000448974853 373654549 /nfs/dbraw/zinc/65/45/49/373654549.db2.gz MOVAGXYKWPUDTJ-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC[N@@H+](C)Cc1cccc(Br)c1F ZINC000449257843 373673870 /nfs/dbraw/zinc/67/38/70/373673870.db2.gz KOOWHRFQAVJMQZ-UHFFFAOYSA-N 1 1 258.134 3.206 20 30 CGEDMO C=CC[N@H+](C)Cc1cccc(Br)c1F ZINC000449257843 373673882 /nfs/dbraw/zinc/67/38/82/373673882.db2.gz KOOWHRFQAVJMQZ-UHFFFAOYSA-N 1 1 258.134 3.206 20 30 CGEDMO N#Cc1c(F)cccc1N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000301169810 373680756 /nfs/dbraw/zinc/68/07/56/373680756.db2.gz DHXCJNZKMRMNHN-LBPRGKRZSA-N 1 1 273.355 3.126 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@@](C)(COC)C1 ZINC000449389063 373686392 /nfs/dbraw/zinc/68/63/92/373686392.db2.gz BVDNGWWDOXPHAM-QGZVFWFLSA-N 1 1 275.392 3.110 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1ccc(C#N)cc1 ZINC000301230702 373700869 /nfs/dbraw/zinc/70/08/69/373700869.db2.gz ALQOZRFXQSBMAY-MRXNPFEDSA-N 1 1 291.398 3.269 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)s1 ZINC000449449815 373731511 /nfs/dbraw/zinc/73/15/11/373731511.db2.gz FBUCQTXVNQYNCE-ARFHVFGLSA-N 1 1 290.432 3.135 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(F)cc1)Cc1ccc(F)cc1 ZINC000179023300 373830170 /nfs/dbraw/zinc/83/01/70/373830170.db2.gz XMDJTWSCAQJNHB-UHFFFAOYSA-N 1 1 271.310 3.448 20 30 CGEDMO CC[N@@H+](Cc1cn(C)nc1-c1cccs1)C[C@H](C)C#N ZINC000179773096 373915537 /nfs/dbraw/zinc/91/55/37/373915537.db2.gz NYHWJIKMPHPMFB-GFCCVEGCSA-N 1 1 288.420 3.130 20 30 CGEDMO CC[N@H+](Cc1cn(C)nc1-c1cccs1)C[C@H](C)C#N ZINC000179773096 373915542 /nfs/dbraw/zinc/91/55/42/373915542.db2.gz NYHWJIKMPHPMFB-GFCCVEGCSA-N 1 1 288.420 3.130 20 30 CGEDMO C[C@H](C1CC1)[N@@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000179936092 373942179 /nfs/dbraw/zinc/94/21/79/373942179.db2.gz MBETYWIRVLRALC-CYBMUJFWSA-N 1 1 294.402 3.189 20 30 CGEDMO C=CC[N@H+](C[C@@H](O)COCC(C)C)CC1CCCCC1 ZINC000303456737 374018602 /nfs/dbraw/zinc/01/86/02/374018602.db2.gz MOERVKUDIWUMED-QGZVFWFLSA-N 1 1 283.456 3.088 20 30 CGEDMO N#CC1(C[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)CCC1 ZINC000450349836 374074364 /nfs/dbraw/zinc/07/43/64/374074364.db2.gz VKOYFXJSCQAWKN-HNNXBMFYSA-N 1 1 298.386 3.289 20 30 CGEDMO N#CC1(C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)CCC1 ZINC000450349836 374074370 /nfs/dbraw/zinc/07/43/70/374074370.db2.gz VKOYFXJSCQAWKN-HNNXBMFYSA-N 1 1 298.386 3.289 20 30 CGEDMO N#Cc1cc(F)ccc1C[NH2+][C@H](CCCO)c1ccccc1 ZINC000305780701 374111114 /nfs/dbraw/zinc/11/11/14/374111114.db2.gz TVHDAAIKFMLCLP-GOSISDBHSA-N 1 1 298.361 3.301 20 30 CGEDMO C[C@H](NCC(C)(C)[NH+]1CCCCC1)c1ccc(C#N)cc1 ZINC000181395812 374118027 /nfs/dbraw/zinc/11/80/27/374118027.db2.gz URLZJTOGECCBRG-HNNXBMFYSA-N 1 1 285.435 3.473 20 30 CGEDMO CC1=CC[N@@H+](CCNc2cccc(Cl)c2C#N)CC1 ZINC000450436136 374127517 /nfs/dbraw/zinc/12/75/17/374127517.db2.gz GISRWAVZNFXVNQ-UHFFFAOYSA-N 1 1 275.783 3.276 20 30 CGEDMO N#CC1(C[N@@H+]2CCSC[C@H]2c2ccccc2)CCC1 ZINC000450409147 374107571 /nfs/dbraw/zinc/10/75/71/374107571.db2.gz KFMKVOLOHMRMKN-HNNXBMFYSA-N 1 1 272.417 3.470 20 30 CGEDMO N#CC1(C[N@H+]2CCSC[C@H]2c2ccccc2)CCC1 ZINC000450409147 374107578 /nfs/dbraw/zinc/10/75/78/374107578.db2.gz KFMKVOLOHMRMKN-HNNXBMFYSA-N 1 1 272.417 3.470 20 30 CGEDMO C=CCC1(C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)CCCCC1 ZINC000450572331 374161827 /nfs/dbraw/zinc/16/18/27/374161827.db2.gz ULPMIQXTFZIJHJ-CABCVRRESA-N 1 1 278.440 3.064 20 30 CGEDMO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)CC1(C#N)CCC1 ZINC000450585997 374163802 /nfs/dbraw/zinc/16/38/02/374163802.db2.gz NQQYQEFFEYPPKT-CZUORRHYSA-N 1 1 270.376 3.004 20 30 CGEDMO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)CC1(C#N)CCC1 ZINC000450585997 374163806 /nfs/dbraw/zinc/16/38/06/374163806.db2.gz NQQYQEFFEYPPKT-CZUORRHYSA-N 1 1 270.376 3.004 20 30 CGEDMO C[C@H]1CCCC[C@H]1[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000330367947 374455003 /nfs/dbraw/zinc/45/50/03/374455003.db2.gz IOPYJVGJCFUTRV-WMLDXEAASA-N 1 1 299.418 3.397 20 30 CGEDMO C=CCC[C@@H](O)C[NH2+][C@H](C)c1nc(C2CCCCC2)no1 ZINC000185274255 374627140 /nfs/dbraw/zinc/62/71/40/374627140.db2.gz YMWAQEKDCCBRSL-TZMCWYRMSA-N 1 1 293.411 3.095 20 30 CGEDMO CC[C@@H]1[C@@H](C)CC[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000185601118 374694915 /nfs/dbraw/zinc/69/49/15/374694915.db2.gz MFGAJFMWEYIUIL-DZGCQCFKSA-N 1 1 288.391 3.066 20 30 CGEDMO CC[C@H]1[C@H](C)CC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000185667009 374708304 /nfs/dbraw/zinc/70/83/04/374708304.db2.gz DDLXNJXOSVMMIA-CJNGLKHVSA-N 1 1 285.391 3.007 20 30 CGEDMO C=CCOCCC[N@@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000470778179 374999148 /nfs/dbraw/zinc/99/91/48/374999148.db2.gz CDPXTLUVALPGOO-RDJZCZTQSA-N 1 1 259.393 3.457 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000472582889 375026621 /nfs/dbraw/zinc/02/66/21/375026621.db2.gz RYYNBQZUFLYQRQ-CABCVRRESA-N 1 1 253.430 3.462 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCCC2(CCCCC2)C1 ZINC000472733131 375031053 /nfs/dbraw/zinc/03/10/53/375031053.db2.gz HLVXBYQPAPZCDZ-HNNXBMFYSA-N 1 1 251.414 3.360 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](CC=C)CC1CCCCC1 ZINC000472726014 375031345 /nfs/dbraw/zinc/03/13/45/375031345.db2.gz JMACTDXUEJYPQV-INIZCTEOSA-N 1 1 251.414 3.382 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCC1CCOCC1 ZINC000187698808 375075041 /nfs/dbraw/zinc/07/50/41/375075041.db2.gz BEPZLHRPRZCPGC-CQSZACIVSA-N 1 1 272.392 3.368 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000187717721 375080024 /nfs/dbraw/zinc/08/00/24/375080024.db2.gz GJPGDQUTECYDPD-JQFCIGGWSA-N 1 1 272.392 3.102 20 30 CGEDMO C=C(C)[C@H]([NH2+]CC(=O)N[C@H](C)CC)c1ccc(F)c(F)c1 ZINC000187764281 375089085 /nfs/dbraw/zinc/08/90/85/375089085.db2.gz RLGHQKGEZNECMU-BZNIZROVSA-N 1 1 296.361 3.086 20 30 CGEDMO Cc1csc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)n1 ZINC000334981512 375048932 /nfs/dbraw/zinc/04/89/32/375048932.db2.gz ZXNCTUFDRRTZGI-CQSZACIVSA-N 1 1 269.373 3.100 20 30 CGEDMO C=CCCCC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000479639302 375155133 /nfs/dbraw/zinc/15/51/33/375155133.db2.gz SJIUPGRZSBVYQI-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000481300882 375164248 /nfs/dbraw/zinc/16/42/48/375164248.db2.gz MCLFMWNTENQRHL-HNNXBMFYSA-N 1 1 292.810 3.343 20 30 CGEDMO C=CC[N@H+](CCOC)[C@H](C)CCc1cccc(F)c1 ZINC000483420681 375179999 /nfs/dbraw/zinc/17/99/99/375179999.db2.gz LKGDTJYHMYOFAV-CQSZACIVSA-N 1 1 265.372 3.281 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCOCC(F)(F)C(F)(F)F ZINC000188670432 375250861 /nfs/dbraw/zinc/25/08/61/375250861.db2.gz LVSYPZXQBBDOSU-UHFFFAOYSA-N 1 1 275.261 3.099 20 30 CGEDMO C[N@H+]1CCN(CC#Cc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000484082469 375187277 /nfs/dbraw/zinc/18/72/77/375187277.db2.gz QPIIQKODSCRCGK-HXUWFJFHSA-N 1 1 290.410 3.027 20 30 CGEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CC[C@H](C)O1 ZINC000188544049 375229103 /nfs/dbraw/zinc/22/91/03/375229103.db2.gz UJZWQDLFAXITBG-WMLDXEAASA-N 1 1 272.392 3.336 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000488120050 375305281 /nfs/dbraw/zinc/30/52/81/375305281.db2.gz DCLLSTAABOKKHW-HOTGVXAUSA-N 1 1 251.414 3.481 20 30 CGEDMO N#Cc1cc(F)ccc1C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000189242885 375346969 /nfs/dbraw/zinc/34/69/69/375346969.db2.gz GHECJHGRFXXCAZ-KRWDZBQOSA-N 1 1 288.366 3.088 20 30 CGEDMO C[C@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000335825720 375462401 /nfs/dbraw/zinc/46/24/01/375462401.db2.gz QVRMTIUPKGXMGM-GWCFXTLKSA-N 1 1 285.313 3.060 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000335832496 375467861 /nfs/dbraw/zinc/46/78/61/375467861.db2.gz CIQOODRRHFKSQL-KBPBESRZSA-N 1 1 290.794 3.070 20 30 CGEDMO C=CC[N@H+](C)CC1(COc2cccc(COC)c2)CCC1 ZINC000494626618 375489816 /nfs/dbraw/zinc/48/98/16/375489816.db2.gz RKHSPAMWMMUFEC-UHFFFAOYSA-N 1 1 289.419 3.500 20 30 CGEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCSC1 ZINC000494982304 375495259 /nfs/dbraw/zinc/49/52/59/375495259.db2.gz VVTDIHJHFOLTAW-CQSZACIVSA-N 1 1 292.404 3.336 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000495609983 375499152 /nfs/dbraw/zinc/49/91/52/375499152.db2.gz AUTWYSXBQJJETH-CQSZACIVSA-N 1 1 282.428 3.141 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000495627037 375499268 /nfs/dbraw/zinc/49/92/68/375499268.db2.gz TWBUWHXJOZNWTD-KBPBESRZSA-N 1 1 282.428 3.330 20 30 CGEDMO C[N@@H+](CCCCC(C)(C)C#N)CCNC(=O)OC(C)(C)C ZINC000496142780 375518138 /nfs/dbraw/zinc/51/81/38/375518138.db2.gz SZGGHXCUHRUELY-UHFFFAOYSA-N 1 1 297.443 3.163 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)C[C@H]2CCCC[C@H]2O)cc1 ZINC000497114818 375578161 /nfs/dbraw/zinc/57/81/61/375578161.db2.gz MSCUPIUOQKDZDC-SJLPKXTDSA-N 1 1 289.419 3.234 20 30 CGEDMO C=CC[N@@H+](CCOC)CCc1ccccc1Cl ZINC000191145602 375583151 /nfs/dbraw/zinc/58/31/51/375583151.db2.gz NTWZQJBPRVWDAI-UHFFFAOYSA-N 1 1 253.773 3.017 20 30 CGEDMO C[C@H]1CC[N@H+](Cc2nc(C#N)cs2)CC12CCC2 ZINC000336011884 375615927 /nfs/dbraw/zinc/61/59/27/375615927.db2.gz LVZDVUKJWPYPAI-NSHDSACASA-N 1 1 261.394 3.027 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2nc(C#N)cs2)CC12CCC2 ZINC000336011884 375615933 /nfs/dbraw/zinc/61/59/33/375615933.db2.gz LVZDVUKJWPYPAI-NSHDSACASA-N 1 1 261.394 3.027 20 30 CGEDMO C=C[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000499221580 375630270 /nfs/dbraw/zinc/63/02/70/375630270.db2.gz ZWWOMEZGABWLAD-LEUOFYLZSA-N 1 1 270.420 3.346 20 30 CGEDMO Cn1cc(C[N@@H+](C)CCCCc2ccccc2)cc1C#N ZINC000191253305 375600533 /nfs/dbraw/zinc/60/05/33/375600533.db2.gz KJYIZDABUQJVLZ-UHFFFAOYSA-N 1 1 281.403 3.351 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000121145628 542014849 /nfs/dbraw/zinc/01/48/49/542014849.db2.gz WXCIEGIXVUFGTE-AWEZNQCLSA-N 1 1 287.325 3.464 20 30 CGEDMO Cc1ccc2nc(C[NH2+][C@H]3CCC[C@H](C#N)C3)[nH]c2c1 ZINC000336251901 375764081 /nfs/dbraw/zinc/76/40/81/375764081.db2.gz KSKDQTCENSJZEP-STQMWFEESA-N 1 1 268.364 3.043 20 30 CGEDMO C=C(C)CC[N@@H+](C)[C@H](Cc1ccccc1)C(=O)OCC ZINC000509136873 375773236 /nfs/dbraw/zinc/77/32/36/375773236.db2.gz JDETWMLEFWVHLG-MRXNPFEDSA-N 1 1 275.392 3.059 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](Cc1ccccc1)C(=O)OCC ZINC000509136873 375773239 /nfs/dbraw/zinc/77/32/39/375773239.db2.gz JDETWMLEFWVHLG-MRXNPFEDSA-N 1 1 275.392 3.059 20 30 CGEDMO C=C(C)CC[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000509360571 375779708 /nfs/dbraw/zinc/77/97/08/375779708.db2.gz XBELXOCNCUNGCD-KRWDZBQOSA-N 1 1 259.393 3.286 20 30 CGEDMO C=CCCCCN1CC[NH+](CCc2ccccc2)CC1 ZINC000515460243 375812991 /nfs/dbraw/zinc/81/29/91/375812991.db2.gz NQFIZDVLGYVTJN-UHFFFAOYSA-N 1 1 272.436 3.203 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2C[C@@H](CC)O[C@@H](C)C2)cc1 ZINC000511853414 375793047 /nfs/dbraw/zinc/79/30/47/375793047.db2.gz BNJSKEBJSUGDLC-GOEBONIOSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2C[C@@H](CC)O[C@@H](C)C2)cc1 ZINC000511853414 375793053 /nfs/dbraw/zinc/79/30/53/375793053.db2.gz BNJSKEBJSUGDLC-GOEBONIOSA-N 1 1 275.392 3.251 20 30 CGEDMO C=C(C)[C@@H]([NH2+]Cc1cnc(C)n1C)c1ccc(F)c(F)c1 ZINC000521463138 375875991 /nfs/dbraw/zinc/87/59/91/375875991.db2.gz ZSWSPSMSFWJLML-MRXNPFEDSA-N 1 1 291.345 3.414 20 30 CGEDMO CC(C)C[N@@H+](C)Cc1ccc(Br)cc1C#N ZINC000336651745 375895110 /nfs/dbraw/zinc/89/51/10/375895110.db2.gz IAYCOZQTHFJMCS-UHFFFAOYSA-N 1 1 281.197 3.409 20 30 CGEDMO COc1cccc([C@@H]2C[N@@H+](CC3(C#N)CC3)CC2(C)C)c1 ZINC000528625167 375907680 /nfs/dbraw/zinc/90/76/80/375907680.db2.gz OEUDYGZLELPLPW-INIZCTEOSA-N 1 1 284.403 3.424 20 30 CGEDMO CC(C)[N@H+](CC#Cc1ccc(F)cc1)Cc1ccccn1 ZINC000532609204 375952858 /nfs/dbraw/zinc/95/28/58/375952858.db2.gz HXQKUAUYCJKXMW-UHFFFAOYSA-N 1 1 282.362 3.483 20 30 CGEDMO CC(C)[N@@H+](CC#Cc1ccc(F)cc1)Cc1ccccn1 ZINC000532609204 375952862 /nfs/dbraw/zinc/95/28/62/375952862.db2.gz HXQKUAUYCJKXMW-UHFFFAOYSA-N 1 1 282.362 3.483 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C2CCCCC2)C[C@H]1C(=O)OC ZINC000530733779 375943480 /nfs/dbraw/zinc/94/34/80/375943480.db2.gz YUTGVLJDGNZAGJ-GJZGRUSLSA-N 1 1 265.397 3.006 20 30 CGEDMO C=CC[N@@H+](CCOC)Cc1cnc(-c2ccco2)s1 ZINC000194515239 376012220 /nfs/dbraw/zinc/01/22/20/376012220.db2.gz BRKCHWKDQJTZBQ-UHFFFAOYSA-N 1 1 278.377 3.038 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cnc(-c2ccco2)s1 ZINC000194515239 376012232 /nfs/dbraw/zinc/01/22/32/376012232.db2.gz BRKCHWKDQJTZBQ-UHFFFAOYSA-N 1 1 278.377 3.038 20 30 CGEDMO C[C@H]1CCCC[C@H]1[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000195669926 376117142 /nfs/dbraw/zinc/11/71/42/376117142.db2.gz XTIJREVRJKKELY-WMLDXEAASA-N 1 1 299.418 3.397 20 30 CGEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2c2cccc(C)c2C)C1=O ZINC000337197413 376131378 /nfs/dbraw/zinc/13/13/78/376131378.db2.gz XDLAPQAMTDZDKU-QZTJIDSGSA-N 1 1 298.430 3.227 20 30 CGEDMO CC[C@@H](C)[N@@H+](C)CCNc1ccc(Cl)cc1C#N ZINC000218073820 376183432 /nfs/dbraw/zinc/18/34/32/376183432.db2.gz XCANFOQPXGBUFI-LLVKDONJSA-N 1 1 265.788 3.354 20 30 CGEDMO C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cccc(C#N)c1F ZINC000539248549 376299863 /nfs/dbraw/zinc/29/98/63/376299863.db2.gz VJARJHMBNPTHJT-CQSZACIVSA-N 1 1 298.361 3.080 20 30 CGEDMO C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cccc(C#N)c1F ZINC000539248549 376299870 /nfs/dbraw/zinc/29/98/70/376299870.db2.gz VJARJHMBNPTHJT-CQSZACIVSA-N 1 1 298.361 3.080 20 30 CGEDMO C=CCC[N@H+](CCCC(=O)OC)Cc1ccccc1 ZINC000338549934 376423711 /nfs/dbraw/zinc/42/37/11/376423711.db2.gz YOLGKEUOSKZIJT-UHFFFAOYSA-N 1 1 261.365 3.018 20 30 CGEDMO C=CCC[N@H+](CCC)C[C@@H]1COc2ccccc2O1 ZINC000338549226 376423867 /nfs/dbraw/zinc/42/38/67/376423867.db2.gz OFBWKXNBBLQOPO-CQSZACIVSA-N 1 1 261.365 3.115 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000541388953 376445922 /nfs/dbraw/zinc/44/59/22/376445922.db2.gz FVVMRIPBCNXNBI-WMZOPIPTSA-N 1 1 273.420 3.420 20 30 CGEDMO CC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)CC1CCC1 ZINC000230316810 376506799 /nfs/dbraw/zinc/50/67/99/376506799.db2.gz NJKKPKXRIOSQQI-UHFFFAOYSA-N 1 1 285.391 3.009 20 30 CGEDMO CCc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)nc1 ZINC000338888829 376563840 /nfs/dbraw/zinc/56/38/40/376563840.db2.gz AAPPCKCTWQFRQZ-UHFFFAOYSA-N 1 1 265.360 3.148 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](c3nccs3)C2)C1 ZINC000338947321 376594227 /nfs/dbraw/zinc/59/42/27/376594227.db2.gz DZFICXANRWSXNJ-UPJWGTAASA-N 1 1 261.394 3.015 20 30 CGEDMO CC[C@H](C)C[N@@H+](CC)Cc1ccc(C#N)c(OC)c1 ZINC000234009877 376608392 /nfs/dbraw/zinc/60/83/92/376608392.db2.gz KGLSRAGPLFDPNH-ZDUSSCGKSA-N 1 1 260.381 3.435 20 30 CGEDMO CC[C@@H](CSC)[N@@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000233883531 376603656 /nfs/dbraw/zinc/60/36/56/376603656.db2.gz OHNWQOVNTSYPHC-AWEZNQCLSA-N 1 1 278.421 3.140 20 30 CGEDMO COCC[N@@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@H](C)C1 ZINC000338939079 376586267 /nfs/dbraw/zinc/58/62/67/376586267.db2.gz VJUGBNCDPTVZOC-YOEHRIQHSA-N 1 1 272.392 3.195 20 30 CGEDMO CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)CCOCCC#N ZINC000339135525 376702001 /nfs/dbraw/zinc/70/20/01/376702001.db2.gz DCRCIQIYFIGXNA-INIZCTEOSA-N 1 1 278.371 3.385 20 30 CGEDMO Cc1cc(C)cc([C@H]2CC[N@@H+](CC3(C#N)CC3)C2)c1 ZINC000544186905 376714236 /nfs/dbraw/zinc/71/42/36/376714236.db2.gz IJBVAVPMQQPUAS-HNNXBMFYSA-N 1 1 254.377 3.397 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000544186641 376715042 /nfs/dbraw/zinc/71/50/42/376715042.db2.gz BAGOQYXDZABHNN-IRXDYDNUSA-N 1 1 259.393 3.111 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000339685288 376809729 /nfs/dbraw/zinc/80/97/29/376809729.db2.gz XRZMKUMWWHTENK-ZDUSSCGKSA-N 1 1 258.340 3.319 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCSCC#N)C[C@@H](c2ccccc2)O1 ZINC000245494208 376829970 /nfs/dbraw/zinc/82/99/70/376829970.db2.gz NAKJXJNCIKQDSH-ZBFHGGJFSA-N 1 1 290.432 3.095 20 30 CGEDMO C=CC[N@H+](CCC1CCCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000556271095 376861765 /nfs/dbraw/zinc/86/17/65/376861765.db2.gz LPXIEIJXOXTZGB-INIZCTEOSA-N 1 1 299.480 3.022 20 30 CGEDMO C=CC[N@@H+](CCC1CCCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000556271095 376861769 /nfs/dbraw/zinc/86/17/69/376861769.db2.gz LPXIEIJXOXTZGB-INIZCTEOSA-N 1 1 299.480 3.022 20 30 CGEDMO C[C@H](CN[C@@H](C)c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000245899011 376929265 /nfs/dbraw/zinc/92/92/65/376929265.db2.gz NQBFPBDBEUJRAH-OAGGEKHMSA-N 1 1 285.435 3.329 20 30 CGEDMO C[C@H](CN[C@@H](C)c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000245899011 376929271 /nfs/dbraw/zinc/92/92/71/376929271.db2.gz NQBFPBDBEUJRAH-OAGGEKHMSA-N 1 1 285.435 3.329 20 30 CGEDMO C=CCCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC000245961763 376945157 /nfs/dbraw/zinc/94/51/57/376945157.db2.gz YFNWXAWZMCLVRK-HUUCEWRRSA-N 1 1 266.429 3.110 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@H]2Cc2ccccc2)cc1C#N ZINC000340196621 376946579 /nfs/dbraw/zinc/94/65/79/376946579.db2.gz YQIRHUUVWCSXEG-SFHVURJKSA-N 1 1 292.382 3.384 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)C[C@@H](C)C1 ZINC000246117615 376969787 /nfs/dbraw/zinc/96/97/87/376969787.db2.gz KDJISSJKLNAYLH-KBPBESRZSA-N 1 1 282.391 3.074 20 30 CGEDMO CC[C@@H]1CCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000340676664 377208296 /nfs/dbraw/zinc/20/82/96/377208296.db2.gz BYTVZSYMRFWFOF-CQSZACIVSA-N 1 1 253.349 3.185 20 30 CGEDMO Cc1ccc(C)c([C@@H]2C[N@H+](CCCC#N)[C@@H](C)CO2)c1 ZINC000247495497 377215484 /nfs/dbraw/zinc/21/54/84/377215484.db2.gz LFJNRHKBLNDEQX-RDJZCZTQSA-N 1 1 272.392 3.369 20 30 CGEDMO Cc1ccc(C)c([C@@H]2C[N@@H+](CCCC#N)[C@@H](C)CO2)c1 ZINC000247495497 377215488 /nfs/dbraw/zinc/21/54/88/377215488.db2.gz LFJNRHKBLNDEQX-RDJZCZTQSA-N 1 1 272.392 3.369 20 30 CGEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CCC[C@H]2C)cc1 ZINC000247506647 377216304 /nfs/dbraw/zinc/21/63/04/377216304.db2.gz MEAROIUNYWUACF-HZPDHXFCSA-N 1 1 299.418 3.115 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](CC)[C@H](C)Cc1ccc(OC)cc1 ZINC000247680057 377232747 /nfs/dbraw/zinc/23/27/47/377232747.db2.gz ZOSTVECZFLQGCA-WBVHZDCISA-N 1 1 291.435 3.275 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H](O)Cc1cccc(Cl)c1 ZINC000561886778 377250696 /nfs/dbraw/zinc/25/06/96/377250696.db2.gz MIDXTODUTUXLAV-HZPDHXFCSA-N 1 1 279.811 3.284 20 30 CGEDMO CC(C)(C)OC1CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC000340904242 377311928 /nfs/dbraw/zinc/31/19/28/377311928.db2.gz WWQVZXFVBKQDPI-UHFFFAOYSA-N 1 1 290.382 3.477 20 30 CGEDMO CCC[N@@H+](CC)C[C@@H](C)Nc1cc(C(C)=O)ccc1C#N ZINC000562241794 377285934 /nfs/dbraw/zinc/28/59/34/377285934.db2.gz CKQMCAWXBFVLFH-CYBMUJFWSA-N 1 1 287.407 3.293 20 30 CGEDMO CC#CCC[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000248399567 377308747 /nfs/dbraw/zinc/30/87/47/377308747.db2.gz VZLYGTZWJZUMRG-HZPDHXFCSA-N 1 1 275.392 3.361 20 30 CGEDMO CC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000248895988 377422453 /nfs/dbraw/zinc/42/24/53/377422453.db2.gz JZFBAMIJBODRPO-KGLIPLIRSA-N 1 1 285.391 3.007 20 30 CGEDMO Cn1c2ccc(NCCC#N)cc2[nH+]c1C(C)(C)C ZINC000563805303 377472070 /nfs/dbraw/zinc/47/20/70/377472070.db2.gz CSDACKIXJOYHFB-UHFFFAOYSA-N 1 1 256.353 3.196 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)C[C@H]1CCCC[C@H]1O ZINC000566599357 377498691 /nfs/dbraw/zinc/49/86/91/377498691.db2.gz DSLJKPAPQWCIKO-QZTJIDSGSA-N 1 1 273.420 3.268 20 30 CGEDMO C[C@H]1CC[C@H](C)[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000088704582 249027461 /nfs/dbraw/zinc/02/74/61/249027461.db2.gz BPVMNDVGRNXWPE-GJZGRUSLSA-N 1 1 272.392 3.448 20 30 CGEDMO C[C@H]1C[C@H](Nc2ccc(C#N)cc2C(F)(F)F)CC[N@H+]1C ZINC000090795093 249029612 /nfs/dbraw/zinc/02/96/12/249029612.db2.gz LIIYPNMTEYFOKD-CMPLNLGQSA-N 1 1 297.324 3.472 20 30 CGEDMO N#CCC[NH2+][C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000570795376 377539570 /nfs/dbraw/zinc/53/95/70/377539570.db2.gz RTQADNXZBBVEIQ-JQWIXIFHSA-N 1 1 254.255 3.065 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000570015908 377532596 /nfs/dbraw/zinc/53/25/96/377532596.db2.gz CWLQYPCYPRAGSW-INIZCTEOSA-N 1 1 250.430 3.006 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000569992210 377532935 /nfs/dbraw/zinc/53/29/35/377532935.db2.gz JCBXYZMLYOANMZ-INIZCTEOSA-N 1 1 253.430 3.463 20 30 CGEDMO CCOC[C@H]1CCCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000313389086 249091438 /nfs/dbraw/zinc/09/14/38/249091438.db2.gz MLCARLLRJGOIFW-OAHLLOKOSA-N 1 1 276.355 3.088 20 30 CGEDMO CCOC[C@H]1CCCC[N@H+]1Cc1cccc(C#N)c1F ZINC000313488929 249092554 /nfs/dbraw/zinc/09/25/54/249092554.db2.gz VGZSPWFMSCGXFS-OAHLLOKOSA-N 1 1 276.355 3.088 20 30 CGEDMO Cc1ccnc([C@H]2CC[N@@H+](CC#Cc3ccc(F)cc3)C2)c1 ZINC000573134429 377554747 /nfs/dbraw/zinc/55/47/47/377554747.db2.gz JHNDNIHLCGZDHM-KRWDZBQOSA-N 1 1 294.373 3.370 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000342716373 377751981 /nfs/dbraw/zinc/75/19/81/377751981.db2.gz DEHLUAPXXGAREK-KRWDZBQOSA-N 1 1 286.419 3.030 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCCN(c2ccc(F)cc2C)C1=O ZINC000342729534 377760542 /nfs/dbraw/zinc/76/05/42/377760542.db2.gz FUQBOHSLKJCGHQ-MRXNPFEDSA-N 1 1 290.382 3.137 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@@H](CC(F)F)c2ccccc2)nc1 ZINC000575192775 377761746 /nfs/dbraw/zinc/76/17/46/377761746.db2.gz MQXOEOKMXQFGQJ-HNNXBMFYSA-N 1 1 287.313 3.439 20 30 CGEDMO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccco1 ZINC000342814981 377813937 /nfs/dbraw/zinc/81/39/37/377813937.db2.gz NZWAJKNRAANUMT-LBPRGKRZSA-N 1 1 252.317 3.491 20 30 CGEDMO Cc1cc(NC[C@H]2CCC[N@H+]2C2CCCCC2)cc(C#N)n1 ZINC000343069128 377893664 /nfs/dbraw/zinc/89/36/64/377893664.db2.gz OXTNMTHIHZMMDY-GOSISDBHSA-N 1 1 298.434 3.471 20 30 CGEDMO CCCCC[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000577776012 378011943 /nfs/dbraw/zinc/01/19/43/378011943.db2.gz DKLPPZBSVWFBOC-UHFFFAOYSA-N 1 1 260.381 3.197 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](OC)C2)cc1 ZINC000343466074 377988307 /nfs/dbraw/zinc/98/83/07/377988307.db2.gz IHIZECJIPIXGHH-PBHICJAKSA-N 1 1 275.392 3.108 20 30 CGEDMO CC(C)[NH+]1CCC(N(C)Cc2ccc(CC#N)cc2)CC1 ZINC000343518996 378005078 /nfs/dbraw/zinc/00/50/78/378005078.db2.gz CJBNOLWFRWWRBN-UHFFFAOYSA-N 1 1 285.435 3.057 20 30 CGEDMO CC(C)N1CCC([N@H+](C)Cc2ccc(CC#N)cc2)CC1 ZINC000343518996 378005083 /nfs/dbraw/zinc/00/50/83/378005083.db2.gz CJBNOLWFRWWRBN-UHFFFAOYSA-N 1 1 285.435 3.057 20 30 CGEDMO CC(C)N1CCC([N@@H+](C)Cc2ccc(CC#N)cc2)CC1 ZINC000343518996 378005084 /nfs/dbraw/zinc/00/50/84/378005084.db2.gz CJBNOLWFRWWRBN-UHFFFAOYSA-N 1 1 285.435 3.057 20 30 CGEDMO C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)c2nccn21 ZINC000578030186 378032169 /nfs/dbraw/zinc/03/21/69/378032169.db2.gz WGNPVQXWCJXHTO-LYRGGWFBSA-N 1 1 278.359 3.038 20 30 CGEDMO CC(C)[C@H](C)[N@@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000578450390 378071960 /nfs/dbraw/zinc/07/19/60/378071960.db2.gz YCEFLEUVCAZENI-YOEHRIQHSA-N 1 1 299.418 3.030 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000268565799 378075066 /nfs/dbraw/zinc/07/50/66/378075066.db2.gz PZXKNICMAYOGQB-WCQYABFASA-N 1 1 269.335 3.285 20 30 CGEDMO C[C@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(CCC#N)CC1 ZINC000577950628 378025469 /nfs/dbraw/zinc/02/54/69/378025469.db2.gz TXZSPXQLXVDLRZ-GFCCVEGCSA-N 1 1 290.411 3.444 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC(C)(C)[C@@H]1c1cccs1 ZINC000578901607 378112561 /nfs/dbraw/zinc/11/25/61/378112561.db2.gz VUEHXZMQIINFFI-JSGCOSHPSA-N 1 1 265.422 3.458 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(C#N)c(F)c1 ZINC000346213738 217841619 /nfs/dbraw/zinc/84/16/19/217841619.db2.gz YZKJSGDQOSGKQX-LLVKDONJSA-N 1 1 299.305 3.456 20 30 CGEDMO C=CC[N@@H+](Cc1cc2c(cc1Cl)OCCO2)C1CC1 ZINC000343779622 378090609 /nfs/dbraw/zinc/09/06/09/378090609.db2.gz ZYLWDGPPFUZADP-UHFFFAOYSA-N 1 1 279.767 3.262 20 30 CGEDMO C=CC[N@H+](Cc1cc2c(cc1Cl)OCCO2)C1CC1 ZINC000343779622 378090615 /nfs/dbraw/zinc/09/06/15/378090615.db2.gz ZYLWDGPPFUZADP-UHFFFAOYSA-N 1 1 279.767 3.262 20 30 CGEDMO N#Cc1cccc(Cl)c1NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000578691245 378091873 /nfs/dbraw/zinc/09/18/73/378091873.db2.gz OUFDMJQCQVAASE-NSHDSACASA-N 1 1 275.783 3.108 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@H](C)C1 ZINC000579964440 378213147 /nfs/dbraw/zinc/21/31/47/378213147.db2.gz HGFWOEOAYKIYQO-QWHCGFSZSA-N 1 1 287.363 3.334 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000580056377 378219397 /nfs/dbraw/zinc/21/93/97/378219397.db2.gz WYGLRDVXLGWKNE-AWEZNQCLSA-N 1 1 267.413 3.396 20 30 CGEDMO C=CC[NH+]1CCC(N[C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000269878373 378277069 /nfs/dbraw/zinc/27/70/69/378277069.db2.gz QQRZBLPQQCJKDM-INIZCTEOSA-N 1 1 292.373 3.192 20 30 CGEDMO C=CCCN1CC[N@@H+](CCC=C)[C@@H]([C@H](C)CC)C1 ZINC000269930964 378284606 /nfs/dbraw/zinc/28/46/06/378284606.db2.gz HJVCHKFIMYRJSI-HZPDHXFCSA-N 1 1 250.430 3.171 20 30 CGEDMO C=CCCN1CC[N@@H+](CCC=C)C[C@@H]1[C@H](C)CC ZINC000269930964 378284609 /nfs/dbraw/zinc/28/46/09/378284609.db2.gz HJVCHKFIMYRJSI-HZPDHXFCSA-N 1 1 250.430 3.171 20 30 CGEDMO C=CCCN1CC[N@H+](CCC=C)C[C@@H]1[C@H](C)CC ZINC000269930964 378284615 /nfs/dbraw/zinc/28/46/15/378284615.db2.gz HJVCHKFIMYRJSI-HZPDHXFCSA-N 1 1 250.430 3.171 20 30 CGEDMO Cc1ccoc1C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000269611659 378242379 /nfs/dbraw/zinc/24/23/79/378242379.db2.gz MMHPLJFIIXABPY-UHFFFAOYSA-N 1 1 252.317 3.239 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)Cc1nccs1 ZINC000269664473 378251221 /nfs/dbraw/zinc/25/12/21/378251221.db2.gz PSIXWDSCXJQEOL-UHFFFAOYSA-N 1 1 258.390 3.374 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)Cc1nccs1 ZINC000269664473 378251226 /nfs/dbraw/zinc/25/12/26/378251226.db2.gz PSIXWDSCXJQEOL-UHFFFAOYSA-N 1 1 258.390 3.374 20 30 CGEDMO C#CCC[N@@H+]1CC=C(c2c[nH]c3cc(F)ccc23)CC1 ZINC000270528462 378364931 /nfs/dbraw/zinc/36/49/31/378364931.db2.gz FANYQLJMEMHGPG-UHFFFAOYSA-N 1 1 268.335 3.419 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000583819291 378350235 /nfs/dbraw/zinc/35/02/35/378350235.db2.gz YVJXSTWKXOCHCU-QGZVFWFLSA-N 1 1 257.377 3.422 20 30 CGEDMO CC[N@H+]1CC[C@H](N(C)Cc2cc(F)ccc2C#N)C[C@H]1C ZINC000345889644 378401237 /nfs/dbraw/zinc/40/12/37/378401237.db2.gz KYIHFUXQZSNVSX-DYVFJYSZSA-N 1 1 289.398 3.002 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000595505004 378401961 /nfs/dbraw/zinc/40/19/61/378401961.db2.gz ORTPIXYGCGFZMI-CYBMUJFWSA-N 1 1 293.361 3.169 20 30 CGEDMO Cc1[nH+]ccn1CCSc1nc2c(c(C)c1C#N)CCC2 ZINC000270883778 378410941 /nfs/dbraw/zinc/41/09/41/378410941.db2.gz AYTWKMSIHUDBFL-UHFFFAOYSA-N 1 1 298.415 3.048 20 30 CGEDMO C[N@@H+](CC(C)(C)CCC#N)C1Cc2ccccc2C1 ZINC000271115011 378454010 /nfs/dbraw/zinc/45/40/10/378454010.db2.gz BDOUMMZKVJAQMZ-UHFFFAOYSA-N 1 1 256.393 3.416 20 30 CGEDMO CC[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000271455357 378493331 /nfs/dbraw/zinc/49/33/31/378493331.db2.gz DJDKCDIGHYRSDV-JKSUJKDBSA-N 1 1 299.418 3.196 20 30 CGEDMO CCN(CCC#N)C(=O)C[N@H+]1CCCC(CC)(CC)CC1 ZINC000346471106 378588810 /nfs/dbraw/zinc/58/88/10/378588810.db2.gz OBPZIURBVCESRO-UHFFFAOYSA-N 1 1 293.455 3.041 20 30 CGEDMO C=CC[N@H+](CCC[C@H]1CCO1)Cc1ccc(OC)cc1 ZINC000637959604 378646937 /nfs/dbraw/zinc/64/69/37/378646937.db2.gz HQLUUWQTTROUAL-KRWDZBQOSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CCOCCC[NH2+][C@@H](C)c1nc(C2CCCCC2)no1 ZINC000348052765 378767791 /nfs/dbraw/zinc/76/77/91/378767791.db2.gz SWQAYRFSJYTAAW-ZDUSSCGKSA-N 1 1 293.411 3.361 20 30 CGEDMO COc1ccc(C[N@H+]2CCCC3(CCC3)C2)cc1C#N ZINC000348182597 378826984 /nfs/dbraw/zinc/82/69/84/378826984.db2.gz RGCDBGRLJWFWEU-UHFFFAOYSA-N 1 1 270.376 3.333 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)[C@@H]([NH3+])c1ccc(F)cc1F ZINC000638866766 378941395 /nfs/dbraw/zinc/94/13/95/378941395.db2.gz VBCSKIDHEYUYDP-AWEZNQCLSA-N 1 1 296.361 3.073 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)[C@H](C)c1cnc(C)nc1C ZINC000638917215 378952342 /nfs/dbraw/zinc/95/23/42/378952342.db2.gz CSOXSOHYYVMXKP-CQSZACIVSA-N 1 1 285.391 3.478 20 30 CGEDMO C=CC[N@@H+](C1CC1)[C@H]1CCc2cc(OC)c(OC)cc21 ZINC000639057173 378990366 /nfs/dbraw/zinc/99/03/66/378990366.db2.gz DXPODNQIIAXOGK-HNNXBMFYSA-N 1 1 273.376 3.342 20 30 CGEDMO CCc1ccc([C@H]2CCC[N@H+]2Cc2cc(C#N)n(C)c2)o1 ZINC000276796794 379000274 /nfs/dbraw/zinc/00/02/74/379000274.db2.gz UUHWXWIIYHKGIB-MRXNPFEDSA-N 1 1 283.375 3.389 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000347225178 218161372 /nfs/dbraw/zinc/16/13/72/218161372.db2.gz FOJBRWPSSVYYJH-GOSISDBHSA-N 1 1 292.382 3.384 20 30 CGEDMO C[N@@H+](CC1(C#N)CC1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000348818847 379065953 /nfs/dbraw/zinc/06/59/53/379065953.db2.gz IHWJESUAAAASDS-HZPDHXFCSA-N 1 1 288.366 3.281 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](CCc3ccncc3)CC2)cc1 ZINC000371336732 379142668 /nfs/dbraw/zinc/14/26/68/379142668.db2.gz SNBNQTOGAPBZKV-UHFFFAOYSA-N 1 1 289.382 3.285 20 30 CGEDMO CC(C)OCC[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000371785611 379176810 /nfs/dbraw/zinc/17/68/10/379176810.db2.gz OGLVIVJPASZZFW-IAGOWNOFSA-N 1 1 272.392 3.183 20 30 CGEDMO CC(C)OCC[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000371785611 379176817 /nfs/dbraw/zinc/17/68/17/379176817.db2.gz OGLVIVJPASZZFW-IAGOWNOFSA-N 1 1 272.392 3.183 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000374003327 379360316 /nfs/dbraw/zinc/36/03/16/379360316.db2.gz PBXYGGAYCDGDED-CYBMUJFWSA-N 1 1 270.307 3.280 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](C)CCCCCO)cc1Cl ZINC000279413432 379428093 /nfs/dbraw/zinc/42/80/93/379428093.db2.gz MIWKXWJJAJBNII-UHFFFAOYSA-N 1 1 297.826 3.499 20 30 CGEDMO CO[C@]1(C)CCC[N@@H+](Cc2ccc(C#N)cc2F)CC1 ZINC000280366718 379689758 /nfs/dbraw/zinc/68/97/58/379689758.db2.gz UVXJDWTYPNPBDU-MRXNPFEDSA-N 1 1 276.355 3.088 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCSC2(CCCCC2)C1 ZINC000351471884 379723069 /nfs/dbraw/zinc/72/30/69/379723069.db2.gz MNOGUZYDHIBMKE-ZDUSSCGKSA-N 1 1 252.427 3.430 20 30 CGEDMO C=CCCCCNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000351677160 379736713 /nfs/dbraw/zinc/73/67/13/379736713.db2.gz CZFVXZQIIUOSIP-INIZCTEOSA-N 1 1 295.471 3.297 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000280719603 379772722 /nfs/dbraw/zinc/77/27/22/379772722.db2.gz CAQYKYOFFYLXKF-GUDVDZBRSA-N 1 1 298.430 3.464 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CCCO[C@@H](CC)C2)cc1 ZINC000281192480 379821372 /nfs/dbraw/zinc/82/13/72/379821372.db2.gz IOISYJQPBOPIEB-KRWDZBQOSA-N 1 1 287.403 3.090 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CCCO[C@H](CC)C2)cc1 ZINC000281192483 379821881 /nfs/dbraw/zinc/82/18/81/379821881.db2.gz IOISYJQPBOPIEB-QGZVFWFLSA-N 1 1 287.403 3.090 20 30 CGEDMO CC(C)[C@H]1CC[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000352683632 379906803 /nfs/dbraw/zinc/90/68/03/379906803.db2.gz KYLVHQXXGMFQCZ-QGZVFWFLSA-N 1 1 294.402 3.189 20 30 CGEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](C)CC[C@@H]2c2ccccc2)C1=O ZINC000352801905 379967909 /nfs/dbraw/zinc/96/79/09/379967909.db2.gz UJQUSHIWIIZBHI-NXHRZFHOSA-N 1 1 298.430 3.247 20 30 CGEDMO C=C(C)C[N@H+](CCOC(C)C)Cc1cnn(C(C)C)c1 ZINC000352953659 380055004 /nfs/dbraw/zinc/05/50/04/380055004.db2.gz RYWRFOOQSOIOBM-UHFFFAOYSA-N 1 1 279.428 3.267 20 30 CGEDMO Cc1ccc(C(C)(C)[NH2+]Cc2ccccc2C#N)cn1 ZINC000353150953 380140699 /nfs/dbraw/zinc/14/06/99/380140699.db2.gz OEAGCHWMCRJGOM-UHFFFAOYSA-N 1 1 265.360 3.287 20 30 CGEDMO N#CC1(CC[N@H+]2CCCSCC2)CCCCC1 ZINC000411418801 380146750 /nfs/dbraw/zinc/14/67/50/380146750.db2.gz KDTASGZZLUDRKB-UHFFFAOYSA-N 1 1 252.427 3.289 20 30 CGEDMO C[C@H](CCC#N)[N@@H+]1CCc2c(Br)cccc2C1 ZINC000411206323 380134560 /nfs/dbraw/zinc/13/45/60/380134560.db2.gz CTCGCQYRGUKBFV-LLVKDONJSA-N 1 1 293.208 3.499 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCc2c(Br)cccc2C1 ZINC000411206323 380134563 /nfs/dbraw/zinc/13/45/63/380134563.db2.gz CTCGCQYRGUKBFV-LLVKDONJSA-N 1 1 293.208 3.499 20 30 CGEDMO Cc1c([C@H](C)[NH2+]CC(C)(C)CC#N)nnn1-c1ccccc1 ZINC000414165460 380196458 /nfs/dbraw/zinc/19/64/58/380196458.db2.gz MEFFHFXECGZPPV-ZDUSSCGKSA-N 1 1 297.406 3.166 20 30 CGEDMO Cn1ccc(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1 ZINC000353948243 380251186 /nfs/dbraw/zinc/25/11/86/380251186.db2.gz SKTJFBISGDIUOH-QZTJIDSGSA-N 1 1 279.387 3.297 20 30 CGEDMO CCC[N@H+]1CCC[C@H]1CN[C@H](C)c1ccc(C#N)cc1F ZINC000353974157 380259275 /nfs/dbraw/zinc/25/92/75/380259275.db2.gz RNYOAYRBWLTERX-HIFRSBDPSA-N 1 1 289.398 3.222 20 30 CGEDMO CCCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000353974157 380259281 /nfs/dbraw/zinc/25/92/81/380259281.db2.gz RNYOAYRBWLTERX-HIFRSBDPSA-N 1 1 289.398 3.222 20 30 CGEDMO C=CCOc1ccc(C[N@@H+](CC)CCCO)cc1Cl ZINC000353652964 380216385 /nfs/dbraw/zinc/21/63/85/380216385.db2.gz KKYQKGBGTLYYAE-UHFFFAOYSA-N 1 1 283.799 3.109 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H](C3CC3)C2)cc1OC ZINC000354078042 380312013 /nfs/dbraw/zinc/31/20/13/380312013.db2.gz MBLAHGXVSAJPIF-MRXNPFEDSA-N 1 1 287.403 3.492 20 30 CGEDMO COc1cc(C[N@H+]2CC[C@H](CC3CC3)C2)ccc1C#N ZINC000354528684 380472665 /nfs/dbraw/zinc/47/26/65/380472665.db2.gz SJOBIQOABRZLHL-OAHLLOKOSA-N 1 1 270.376 3.189 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCC[C@H]3COCC[C@H]32)c1 ZINC000355118625 380582181 /nfs/dbraw/zinc/58/21/81/380582181.db2.gz VSDLDADCSARNDT-FUHWJXTLSA-N 1 1 287.403 3.252 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000355118624 380581758 /nfs/dbraw/zinc/58/17/58/380581758.db2.gz VSDLDADCSARNDT-AEFFLSMTSA-N 1 1 287.403 3.252 20 30 CGEDMO C[C@]1(F)CC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000355357447 380657833 /nfs/dbraw/zinc/65/78/33/380657833.db2.gz UWEBACGTCOYPQR-INIZCTEOSA-N 1 1 276.355 3.303 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000356309441 380796408 /nfs/dbraw/zinc/79/64/08/380796408.db2.gz VOHQRXTYYVIKJJ-UHFFFAOYSA-N 1 1 281.281 3.216 20 30 CGEDMO CC(C)(C#N)CC[N@H+]1CCSC[C@@H]1C1CCC1 ZINC000419362831 380815218 /nfs/dbraw/zinc/81/52/18/380815218.db2.gz CELVGZKMPBMDRO-CYBMUJFWSA-N 1 1 252.427 3.144 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@H](CC(F)(F)F)C2)C1 ZINC000420957112 380862327 /nfs/dbraw/zinc/86/23/27/380862327.db2.gz ZEWPZOULANYTGO-GRYCIOLGSA-N 1 1 260.303 3.343 20 30 CGEDMO C=CCCSCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000421225460 380872617 /nfs/dbraw/zinc/87/26/17/380872617.db2.gz NAINXZPATOPGTA-UHFFFAOYSA-N 1 1 277.433 3.328 20 30 CGEDMO CC[C@H]1C[C@@H](C[N@@H+](C)Cc2ccc(C#N)cc2)CCO1 ZINC000356895240 380925540 /nfs/dbraw/zinc/92/55/40/380925540.db2.gz TUYZLMRIHVUERP-IRXDYDNUSA-N 1 1 272.392 3.195 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](CC(F)(F)F)C2)o1 ZINC000421396891 380946180 /nfs/dbraw/zinc/94/61/80/380946180.db2.gz WWJHYFSMIABIBS-SNVBAGLBSA-N 1 1 272.270 3.316 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](CC(F)(F)F)C2)o1 ZINC000421396891 380946183 /nfs/dbraw/zinc/94/61/83/380946183.db2.gz WWJHYFSMIABIBS-SNVBAGLBSA-N 1 1 272.270 3.316 20 30 CGEDMO COCc1cnc(C[NH2+][C@H](C)c2ccc(C#N)cc2)s1 ZINC000357411009 381149072 /nfs/dbraw/zinc/14/90/72/381149072.db2.gz IGLIYUXYKKOKRO-LLVKDONJSA-N 1 1 287.388 3.012 20 30 CGEDMO Cc1c(Cl)cnc(N[C@@H](C)C[N@@H+](C)C(C)C)c1C#N ZINC000357569599 381213035 /nfs/dbraw/zinc/21/30/35/381213035.db2.gz PDZSDXQZCDSULM-JTQLQIEISA-N 1 1 280.803 3.056 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000358887002 381330961 /nfs/dbraw/zinc/33/09/61/381330961.db2.gz KQPIGYSQTCADQW-HNNXBMFYSA-N 1 1 269.392 3.467 20 30 CGEDMO Cc1nc(N[C@@H](C)C[N@@H+](C)C(C)C)c(Cl)cc1C#N ZINC000359966347 381391701 /nfs/dbraw/zinc/39/17/01/381391701.db2.gz NDUIMQSAECXHDD-JTQLQIEISA-N 1 1 280.803 3.056 20 30 CGEDMO CCCC[N@@H+](C)CCNc1nc(C)c(C#N)cc1Cl ZINC000360067286 381433163 /nfs/dbraw/zinc/43/31/63/381433163.db2.gz VYWGPGIYAKWSLM-UHFFFAOYSA-N 1 1 280.803 3.059 20 30 CGEDMO Cc1ccncc1C[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000361409741 381737713 /nfs/dbraw/zinc/73/77/13/381737713.db2.gz IOQRGOUYPBQLOP-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO Cc1ccncc1C[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000361409741 381737718 /nfs/dbraw/zinc/73/77/18/381737718.db2.gz IOQRGOUYPBQLOP-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO CCCCC[C@H]1CCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000361542614 381791927 /nfs/dbraw/zinc/79/19/27/381791927.db2.gz FECHVUYMVDGMMX-HNNXBMFYSA-N 1 1 259.397 3.441 20 30 CGEDMO C[N@@H+](CC(=O)Nc1sccc1C#N)[C@@H]1CCC(C)(C)C1 ZINC000361470317 381760762 /nfs/dbraw/zinc/76/07/62/381760762.db2.gz RJLJXVQWAYGFRE-GFCCVEGCSA-N 1 1 291.420 3.069 20 30 CGEDMO COCC[N@@H+](CC(C)(C)CCC#N)[C@H]1CC[C@@H](C)C1 ZINC000361640147 381851624 /nfs/dbraw/zinc/85/16/24/381851624.db2.gz SCAINSRUULSLAZ-CABCVRRESA-N 1 1 266.429 3.453 20 30 CGEDMO COCC[N@@H+](Cc1ccccc1C#N)[C@H]1CC[C@H](C)C1 ZINC000361640603 381852119 /nfs/dbraw/zinc/85/21/19/381852119.db2.gz VDMPDAIIYAFTCY-YOEHRIQHSA-N 1 1 272.392 3.195 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](Nc3ccccc3)C2)c1 ZINC000362219650 381909811 /nfs/dbraw/zinc/90/98/11/381909811.db2.gz OICNCUWUVRRRRU-KRWDZBQOSA-N 1 1 295.361 3.384 20 30 CGEDMO CCCCCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000365738555 382291931 /nfs/dbraw/zinc/29/19/31/382291931.db2.gz BATXFMBMRCNCPQ-CABCVRRESA-N 1 1 266.429 3.042 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cnc(-c2cnn(C)c2)nc1 ZINC000365419841 382287416 /nfs/dbraw/zinc/28/74/16/382287416.db2.gz FZYQFEJRSFASPT-UHFFFAOYSA-N 1 1 299.422 3.055 20 30 CGEDMO C[N@H+]1Cc2ccccc2[C@H](Nc2c(C#N)cccc2C#N)C1 ZINC000366784593 382317029 /nfs/dbraw/zinc/31/70/29/382317029.db2.gz ZOXKPABXGZVUCZ-QGZVFWFLSA-N 1 1 288.354 3.029 20 30 CGEDMO C[N@@H+]1Cc2ccccc2[C@H](Nc2c(C#N)cccc2C#N)C1 ZINC000366784593 382317043 /nfs/dbraw/zinc/31/70/43/382317043.db2.gz ZOXKPABXGZVUCZ-QGZVFWFLSA-N 1 1 288.354 3.029 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000497255431 262125250 /nfs/dbraw/zinc/12/52/50/262125250.db2.gz XJTYVEBJCBVEKZ-AWEZNQCLSA-N 1 1 282.428 3.189 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+]1C[C@H](C)C[C@H]1c1ccccc1 ZINC000353200723 542555491 /nfs/dbraw/zinc/55/54/91/542555491.db2.gz CKASZPAHHHGODP-AEFFLSMTSA-N 1 1 298.430 3.270 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)CCOC ZINC000411181167 542629821 /nfs/dbraw/zinc/62/98/21/542629821.db2.gz UCJLACRFRRNQQG-AWEZNQCLSA-N 1 1 263.381 3.108 20 30 CGEDMO C[C@@H](NCC#Cc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000192178627 130388887 /nfs/dbraw/zinc/38/88/87/130388887.db2.gz XOHCWJIHICVNNA-MJGOQNOKSA-N 1 1 296.458 3.281 20 30 CGEDMO N#CCC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC1CC1 ZINC000093091292 392234521 /nfs/dbraw/zinc/23/45/21/392234521.db2.gz SBWKAYIHTGZTDK-ZZXKWVIFSA-N 1 1 285.347 3.234 20 30 CGEDMO N#CCC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC1CC1 ZINC000093091292 392234524 /nfs/dbraw/zinc/23/45/24/392234524.db2.gz SBWKAYIHTGZTDK-ZZXKWVIFSA-N 1 1 285.347 3.234 20 30 CGEDMO COc1cc(C[N@H+](CCC#N)CC(C)(C)C)ccc1C#N ZINC000282313362 392287364 /nfs/dbraw/zinc/28/73/64/392287364.db2.gz NDLXNGBNSNRIBW-UHFFFAOYSA-N 1 1 285.391 3.329 20 30 CGEDMO COc1cc(C[N@@H+](CCC#N)CC(C)(C)C)ccc1C#N ZINC000282313362 392287368 /nfs/dbraw/zinc/28/73/68/392287368.db2.gz NDLXNGBNSNRIBW-UHFFFAOYSA-N 1 1 285.391 3.329 20 30 CGEDMO C#CC[C@H]([NH2+][C@H](C)c1cc(C)n(C)n1)c1ccccc1 ZINC000282307066 392287791 /nfs/dbraw/zinc/28/77/91/392287791.db2.gz SWKQBANBOXKQIK-ZBFHGGJFSA-N 1 1 267.376 3.144 20 30 CGEDMO COC1CCC([N@@H+](C)Cc2ccc(C#N)c(F)c2)CC1 ZINC000361839941 392340679 /nfs/dbraw/zinc/34/06/79/392340679.db2.gz NPOWKHOLAUVDCB-UHFFFAOYSA-N 1 1 276.355 3.087 20 30 CGEDMO C=CCC[C@@H](NC[C@@]1([NH+](C)C)CCSC1)c1ccco1 ZINC000286190884 392379410 /nfs/dbraw/zinc/37/94/10/392379410.db2.gz RHSHRSFSRLHYDX-ZBFHGGJFSA-N 1 1 294.464 3.314 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)N1CCSc2ccccc21 ZINC000121164564 392411060 /nfs/dbraw/zinc/41/10/60/392411060.db2.gz PFHXCJIOSODGJH-UHFFFAOYSA-N 1 1 290.432 3.023 20 30 CGEDMO C[N@@H+](CCOc1ccccc1F)CC(C)(C)CCC#N ZINC000121531658 392414496 /nfs/dbraw/zinc/41/44/96/392414496.db2.gz NBMHETJIUGHAJD-UHFFFAOYSA-N 1 1 278.371 3.466 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1c[nH]c2nccnc12 ZINC000290492363 392449435 /nfs/dbraw/zinc/44/94/35/392449435.db2.gz RUMOSZUYVXQWTF-UHFFFAOYSA-N 1 1 258.369 3.136 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](C)Cc1ccccc1Br ZINC000121071909 392406546 /nfs/dbraw/zinc/40/65/46/392406546.db2.gz ICBHRBIUVMORFX-ZDUSSCGKSA-N 1 1 298.224 3.208 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)Cc1ccccc1Br ZINC000121071909 392406550 /nfs/dbraw/zinc/40/65/50/392406550.db2.gz ICBHRBIUVMORFX-ZDUSSCGKSA-N 1 1 298.224 3.208 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)Cc1ccc(Cl)cc1 ZINC000121121023 392409425 /nfs/dbraw/zinc/40/94/25/392409425.db2.gz YCNNJNITEDDBEE-AWEZNQCLSA-N 1 1 253.773 3.099 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1ccccn1 ZINC000162616667 392598188 /nfs/dbraw/zinc/59/81/88/392598188.db2.gz DDOPMYRCXFHUII-NSHDSACASA-N 1 1 271.751 3.457 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000374256718 392673123 /nfs/dbraw/zinc/67/31/23/392673123.db2.gz PBLQCXQOZXLMES-HNNXBMFYSA-N 1 1 264.413 3.065 20 30 CGEDMO CC[N@@H+](CCCSCC#N)[C@@H](C)c1cccc(O)c1 ZINC000178374182 392677012 /nfs/dbraw/zinc/67/70/12/392677012.db2.gz CJMAOCGEUNNUMH-ZDUSSCGKSA-N 1 1 278.421 3.422 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CCCO1 ZINC000178526594 392680976 /nfs/dbraw/zinc/68/09/76/392680976.db2.gz WSEXWXAGHYUTTA-CQSZACIVSA-N 1 1 272.392 3.099 20 30 CGEDMO C[N@@H+](CCCC(C)(C)C#N)Cc1ccccc1[N+](=O)[O-] ZINC000174818474 392645845 /nfs/dbraw/zinc/64/58/45/392645845.db2.gz GVQKUMGOSJZIEQ-UHFFFAOYSA-N 1 1 275.352 3.357 20 30 CGEDMO C[C@@]1(c2ccc(F)cc2)CC[N@@H+](CCCCC#N)C1 ZINC000373788603 392663290 /nfs/dbraw/zinc/66/32/90/392663290.db2.gz ASQLKLYEAHXOJD-MRXNPFEDSA-N 1 1 260.356 3.483 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000181316639 392728090 /nfs/dbraw/zinc/72/80/90/392728090.db2.gz QIOFNGJQDXLBSS-UHFFFAOYSA-N 1 1 281.403 3.369 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000181316639 392728096 /nfs/dbraw/zinc/72/80/96/392728096.db2.gz QIOFNGJQDXLBSS-UHFFFAOYSA-N 1 1 281.403 3.369 20 30 CGEDMO Cc1ccc(C#N)c(N[C@@H](C)C[N@@H+](C)Cc2ccccc2)n1 ZINC000180347293 392709366 /nfs/dbraw/zinc/70/93/66/392709366.db2.gz DLKCXUXCANUWMW-HNNXBMFYSA-N 1 1 294.402 3.194 20 30 CGEDMO CCOC(=O)CC[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000192125102 392838110 /nfs/dbraw/zinc/83/81/10/392838110.db2.gz YROGLHJKRURVME-GOSISDBHSA-N 1 1 299.414 3.093 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC=C(c3ccco3)C2)c1 ZINC000375663024 392801605 /nfs/dbraw/zinc/80/16/05/392801605.db2.gz AXDMRMVXSQZRBA-UHFFFAOYSA-N 1 1 264.328 3.441 20 30 CGEDMO C[C@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccncc1F ZINC000338341011 392908189 /nfs/dbraw/zinc/90/81/89/392908189.db2.gz CUIOVFABUNEXDF-LBPRGKRZSA-N 1 1 272.298 3.062 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000338352075 392910969 /nfs/dbraw/zinc/91/09/69/392910969.db2.gz FHFIOZYXJXWTEA-KGLIPLIRSA-N 1 1 292.427 3.060 20 30 CGEDMO N#CCSCCC[N@H+]1CCc2sc(Cl)cc2C1 ZINC000520224409 392912472 /nfs/dbraw/zinc/91/24/72/392912472.db2.gz DORGELFMKAIZCW-UHFFFAOYSA-N 1 1 286.853 3.406 20 30 CGEDMO N#CCSCCC[N@@H+]1CCc2sc(Cl)cc2C1 ZINC000520224409 392912476 /nfs/dbraw/zinc/91/24/76/392912476.db2.gz DORGELFMKAIZCW-UHFFFAOYSA-N 1 1 286.853 3.406 20 30 CGEDMO C=CCOCC[N@@H+](Cc1ccco1)Cc1ccccc1 ZINC000338897798 392933896 /nfs/dbraw/zinc/93/38/96/392933896.db2.gz CMFYHJQIHOFEMJ-UHFFFAOYSA-N 1 1 271.360 3.484 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000338886233 392934347 /nfs/dbraw/zinc/93/43/47/392934347.db2.gz CVZLBFNAURPNQO-HNNXBMFYSA-N 1 1 291.391 3.043 20 30 CGEDMO C=CCOCC[N@H+]1CCc2sccc2[C@H]1CC ZINC000338914379 392935832 /nfs/dbraw/zinc/93/58/32/392935832.db2.gz XUYFLGBLMCOEQZ-CYBMUJFWSA-N 1 1 251.395 3.260 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)C1CC(C)(C)C1 ZINC000395361970 392940773 /nfs/dbraw/zinc/94/07/73/392940773.db2.gz FWQCLAUVDUXAOS-UHFFFAOYSA-N 1 1 285.391 3.007 20 30 CGEDMO C[N@@H+](CCOc1ccc(C#N)cc1)C1CC(C)(C)C1 ZINC000395486096 392940859 /nfs/dbraw/zinc/94/08/59/392940859.db2.gz PIPNOUUAGGQIQM-UHFFFAOYSA-N 1 1 258.365 3.057 20 30 CGEDMO C=CCOCC[N@H+]1[C@H](C)Cc2cc(F)ccc2[C@H]1C ZINC000339061456 392943100 /nfs/dbraw/zinc/94/31/00/392943100.db2.gz KSLQFMJPUSZWQO-CHWSQXEVSA-N 1 1 263.356 3.336 20 30 CGEDMO Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)CCOCCC#N ZINC000339055758 392943676 /nfs/dbraw/zinc/94/36/76/392943676.db2.gz HMJBCXVZIBXIDL-ZDUSSCGKSA-N 1 1 295.452 3.498 20 30 CGEDMO C=CCCC1(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000530289315 542744989 /nfs/dbraw/zinc/74/49/89/542744989.db2.gz IMWSAJHEUJVSEQ-INIZCTEOSA-N 1 1 284.403 3.036 20 30 CGEDMO C=CCCC1(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000530289315 542744992 /nfs/dbraw/zinc/74/49/92/542744992.db2.gz IMWSAJHEUJVSEQ-INIZCTEOSA-N 1 1 284.403 3.036 20 30 CGEDMO N#Cc1ccc(C[NH+]2CC3(C2)CCCCC3)cc1F ZINC000404580206 392968213 /nfs/dbraw/zinc/96/82/13/392968213.db2.gz YRCJDZLKCQVYSS-UHFFFAOYSA-N 1 1 258.340 3.463 20 30 CGEDMO C[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)[C@@H](C)[C@H](C)O1 ZINC000411609968 392982382 /nfs/dbraw/zinc/98/23/82/392982382.db2.gz MHCMLKRUIZLTDJ-ILXRZTDVSA-N 1 1 264.413 3.348 20 30 CGEDMO CC[C@@H]1C[N@H+](CCC2(C#N)CCCCC2)C[C@@H](C)[S@@]1=O ZINC000411720067 392987175 /nfs/dbraw/zinc/98/71/75/392987175.db2.gz OZSJTMYWTDNYCF-SXGZJXTBSA-N 1 1 296.480 3.082 20 30 CGEDMO CC[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)C[C@@H](C)[S@@]1=O ZINC000411720067 392987179 /nfs/dbraw/zinc/98/71/79/392987179.db2.gz OZSJTMYWTDNYCF-SXGZJXTBSA-N 1 1 296.480 3.082 20 30 CGEDMO CC[N@H+](CC#Cc1ccccc1)Cc1occc1C ZINC000412024635 392995094 /nfs/dbraw/zinc/99/50/94/392995094.db2.gz GFTHQWOAKOBREB-UHFFFAOYSA-N 1 1 253.345 3.462 20 30 CGEDMO CC[N@@H+](CC#Cc1ccccc1)Cc1occc1C ZINC000412024635 392995101 /nfs/dbraw/zinc/99/51/01/392995101.db2.gz GFTHQWOAKOBREB-UHFFFAOYSA-N 1 1 253.345 3.462 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000533347505 392996922 /nfs/dbraw/zinc/99/69/22/392996922.db2.gz FBDHEGOZKICZTG-QGZVFWFLSA-N 1 1 293.370 3.299 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000533347505 392996926 /nfs/dbraw/zinc/99/69/26/392996926.db2.gz FBDHEGOZKICZTG-QGZVFWFLSA-N 1 1 293.370 3.299 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000236550160 393032062 /nfs/dbraw/zinc/03/20/62/393032062.db2.gz RFJFSDWBPOXJRQ-XHSDSOJGSA-N 1 1 251.414 3.358 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CC[C@@H]1CCCO1 ZINC000342590903 393003429 /nfs/dbraw/zinc/00/34/29/393003429.db2.gz NUKFUEHKFODVLW-CJNGLKHVSA-N 1 1 258.365 3.120 20 30 CGEDMO C=C(C)CN(CC)C(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000343140419 393019452 /nfs/dbraw/zinc/01/94/52/393019452.db2.gz BUMIVYMDWUAUHI-OAHLLOKOSA-N 1 1 294.826 3.367 20 30 CGEDMO C=CCCCN1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000344587154 393045928 /nfs/dbraw/zinc/04/59/28/393045928.db2.gz RZYQJXQCQARQIN-OWCLPIDISA-N 1 1 250.430 3.290 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccsc1)Cc1ccc(CO)o1 ZINC000348637740 393126911 /nfs/dbraw/zinc/12/69/11/393126911.db2.gz URHVMMGLNUWNIM-UHFFFAOYSA-N 1 1 277.389 3.412 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccsc1)Cc1ccc(CO)o1 ZINC000348637740 393126917 /nfs/dbraw/zinc/12/69/17/393126917.db2.gz URHVMMGLNUWNIM-UHFFFAOYSA-N 1 1 277.389 3.412 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccn(C)c1)Cc1cnn(C(C)C)c1 ZINC000348876149 393134229 /nfs/dbraw/zinc/13/42/29/393134229.db2.gz LXEOCOVOAUBTIA-UHFFFAOYSA-N 1 1 286.423 3.381 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccn(C)c1)Cc1cnn(C(C)C)c1 ZINC000348876149 393134237 /nfs/dbraw/zinc/13/42/37/393134237.db2.gz LXEOCOVOAUBTIA-UHFFFAOYSA-N 1 1 286.423 3.381 20 30 CGEDMO C[N@H+](CCc1ccc(Cl)cc1)Cc1nc(C#N)cs1 ZINC000356227874 393389603 /nfs/dbraw/zinc/38/96/03/393389603.db2.gz YOBRRFUPHNYTCO-UHFFFAOYSA-N 1 1 291.807 3.343 20 30 CGEDMO C[N@@H+](CCc1ccc(Cl)cc1)Cc1nc(C#N)cs1 ZINC000356227874 393389611 /nfs/dbraw/zinc/38/96/11/393389611.db2.gz YOBRRFUPHNYTCO-UHFFFAOYSA-N 1 1 291.807 3.343 20 30 CGEDMO CC[C@H]1CCCC[C@@H]1[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356297187 393412427 /nfs/dbraw/zinc/41/24/27/393412427.db2.gz FBZCXEPGGQKKLA-AAEUAGOBSA-N 1 1 263.410 3.415 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@]2(CC[C@H](C)C2)C1 ZINC000359541947 393550621 /nfs/dbraw/zinc/55/06/21/393550621.db2.gz DZNAVPWDECDULU-BQFCYCMXSA-N 1 1 290.451 3.088 20 30 CGEDMO C[C@H]1CC[C@]2(CC[N@@H+](CCCSCC#N)C2)C1 ZINC000360681862 393573160 /nfs/dbraw/zinc/57/31/60/393573160.db2.gz RYXUSKZDXUPLBK-KBPBESRZSA-N 1 1 252.427 3.145 20 30 CGEDMO Cc1cc(C[N@H+](C)CC2(O)CCCCCC2)ccc1C#N ZINC000489009212 393570232 /nfs/dbraw/zinc/57/02/32/393570232.db2.gz JOCYYOBSQQHVHV-UHFFFAOYSA-N 1 1 286.419 3.384 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C1(C)CCCC1 ZINC000489874451 393618532 /nfs/dbraw/zinc/61/85/32/393618532.db2.gz LSWXIHBMICCKAZ-UHFFFAOYSA-N 1 1 285.391 3.151 20 30 CGEDMO COc1cc(C[N@H+]2CCC(C)=C(C)C2)ccc1C#N ZINC000443073755 393742498 /nfs/dbraw/zinc/74/24/98/393742498.db2.gz WSBKHMJARRXLSN-UHFFFAOYSA-N 1 1 256.349 3.109 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(-c2ccncc2)cc1F ZINC000491538347 393695697 /nfs/dbraw/zinc/69/56/97/393695697.db2.gz YIOSIYWLWIXOKT-ZDUSSCGKSA-N 1 1 268.335 3.341 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(-c2ccncc2)cc1F ZINC000491538347 393695703 /nfs/dbraw/zinc/69/57/03/393695703.db2.gz YIOSIYWLWIXOKT-ZDUSSCGKSA-N 1 1 268.335 3.341 20 30 CGEDMO C=CC[NH+](CC=C)Cc1ccc(C#N)cc1OC(F)F ZINC000437128045 393718323 /nfs/dbraw/zinc/71/83/23/393718323.db2.gz CFQVIKVMIMAUIP-UHFFFAOYSA-N 1 1 278.302 3.334 20 30 CGEDMO Cc1cc(CN[C@H]2CC[N@@H+](CC3CCCC3)C2)ccc1C#N ZINC000443991384 393780190 /nfs/dbraw/zinc/78/01/90/393780190.db2.gz UOLRTXYZWVTCRA-IBGZPJMESA-N 1 1 297.446 3.221 20 30 CGEDMO Cc1cc(C[NH2+][C@H]2CCN(CC3CCCC3)C2)ccc1C#N ZINC000443991384 393780196 /nfs/dbraw/zinc/78/01/96/393780196.db2.gz UOLRTXYZWVTCRA-IBGZPJMESA-N 1 1 297.446 3.221 20 30 CGEDMO Cc1cc(CNCC2(C[NH+](C)C)CCCC2)ccc1C#N ZINC000444004109 393783331 /nfs/dbraw/zinc/78/33/31/393783331.db2.gz KOUBOTWQGQRCJP-UHFFFAOYSA-N 1 1 285.435 3.078 20 30 CGEDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)s2)C12CCC2 ZINC000449629694 393927721 /nfs/dbraw/zinc/92/77/21/393927721.db2.gz GCEKEBLFTTWOTB-KGLIPLIRSA-N 1 1 276.405 3.009 20 30 CGEDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C#N)c(C)c2)C12CCC2 ZINC000449634388 393929296 /nfs/dbraw/zinc/92/92/96/393929296.db2.gz RCHZXOIHOXHYKK-SJORKVTESA-N 1 1 284.403 3.256 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000667473259 542872564 /nfs/dbraw/zinc/87/25/64/542872564.db2.gz DPAGKTCHHIMMAW-KRWDZBQOSA-N 1 1 275.392 3.252 20 30 CGEDMO CCO[C@@H]1CC[N@H+]([C@@H](C)c2cccc(C#N)c2)C[C@H]1C ZINC000451551796 394045731 /nfs/dbraw/zinc/04/57/31/394045731.db2.gz XYQWVKBYMIYFPS-JKIFEVAISA-N 1 1 272.392 3.366 20 30 CGEDMO CCn1ccnc1[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000453123854 394179458 /nfs/dbraw/zinc/17/94/58/394179458.db2.gz QOHHDSSNNDATCW-OLZOCXBDSA-N 1 1 268.364 3.186 20 30 CGEDMO C[C@@H](NCC[N@H+]1CCCC1(C)C)c1ccc(C#N)c(F)c1 ZINC000453398019 394232868 /nfs/dbraw/zinc/23/28/68/394232868.db2.gz MIGOIQLRYLBUKA-CYBMUJFWSA-N 1 1 289.398 3.222 20 30 CGEDMO C[C@@H]([NH2+]CCN1CCCC1(C)C)c1ccc(C#N)c(F)c1 ZINC000453398019 394232871 /nfs/dbraw/zinc/23/28/71/394232871.db2.gz MIGOIQLRYLBUKA-CYBMUJFWSA-N 1 1 289.398 3.222 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1c(C2CC2)cnn1C ZINC000667947456 542949016 /nfs/dbraw/zinc/94/90/16/542949016.db2.gz QSVBSEHQGZCRSD-UHFFFAOYSA-N 1 1 285.391 3.121 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2ccccc2-n2cncn2)C1 ZINC000668493360 543020429 /nfs/dbraw/zinc/02/04/29/543020429.db2.gz NGNFOTAFRGDTEE-OAHLLOKOSA-N 1 1 282.391 3.055 20 30 CGEDMO C=C(C)[C@H](CO)[N@H+]1CCC[C@](C)(c2ccccc2)CC1 ZINC000671704034 543178840 /nfs/dbraw/zinc/17/88/40/543178840.db2.gz JBVFIOKZKWBDBO-ROUUACIJSA-N 1 1 273.420 3.367 20 30 CGEDMO CCO[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000674251229 543277230 /nfs/dbraw/zinc/27/72/30/543277230.db2.gz ODCULFBIHPBHQL-MRXNPFEDSA-N 1 1 277.795 3.192 20 30 CGEDMO C=CCC[C@@H](NCC1=CC[N@H+](C)CC1)c1ccco1 ZINC000286306670 397671557 /nfs/dbraw/zinc/67/15/57/397671557.db2.gz XIHCZLWJRBMLPT-OAHLLOKOSA-N 1 1 260.381 3.138 20 30 CGEDMO C=CCC[C@@H](NCC1=CC[N@@H+](C)CC1)c1ccco1 ZINC000286306670 397671558 /nfs/dbraw/zinc/67/15/58/397671558.db2.gz XIHCZLWJRBMLPT-OAHLLOKOSA-N 1 1 260.381 3.138 20 30 CGEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1C[C@H]1C ZINC000488303452 397707280 /nfs/dbraw/zinc/70/72/80/397707280.db2.gz UUXDQXATBMWOPR-TZMCWYRMSA-N 1 1 260.337 3.239 20 30 CGEDMO COCC#CC[N@@H+](C)Cc1ccccc1-c1ccccc1 ZINC000677477965 543450510 /nfs/dbraw/zinc/45/05/10/543450510.db2.gz HDMLTODLAVZJNA-UHFFFAOYSA-N 1 1 279.383 3.435 20 30 CGEDMO COCC#CC[N@H+](C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000677819664 543468366 /nfs/dbraw/zinc/46/83/66/543468366.db2.gz JRXXBXSZNUAGFA-ZDUSSCGKSA-N 1 1 280.437 3.218 20 30 CGEDMO COCC#CC[N@@H+](C)[C@@H](C)c1sc(C(C)C)nc1C ZINC000677819664 543468368 /nfs/dbraw/zinc/46/83/68/543468368.db2.gz JRXXBXSZNUAGFA-ZDUSSCGKSA-N 1 1 280.437 3.218 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CCCC2(C1)CCCCCC2 ZINC000678220504 543494978 /nfs/dbraw/zinc/49/49/78/543494978.db2.gz WICBSEUDOUFWMU-OAHLLOKOSA-N 1 1 251.414 3.360 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000678714810 543550012 /nfs/dbraw/zinc/55/00/12/543550012.db2.gz QOKDKQPVPVZHAP-HNNXBMFYSA-N 1 1 280.456 3.454 20 30 CGEDMO C=C(C)[C@H](CO)[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000678796722 543559483 /nfs/dbraw/zinc/55/94/83/543559483.db2.gz INKFYBDDCHTEKB-CABZTGNLSA-N 1 1 257.736 3.067 20 30 CGEDMO C[C@@H]([NH2+][C@H](CN)C1CCCCC1)c1ccc(C#N)c(F)c1 ZINC000423265126 287064398 /nfs/dbraw/zinc/06/43/98/287064398.db2.gz QRVLVVITVQFYIR-SJKOYZFVSA-N 1 1 289.398 3.256 20 30 CGEDMO C[C@H]1CCCCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000070409530 165059754 /nfs/dbraw/zinc/05/97/54/165059754.db2.gz VUSDTPAQAGXANJ-AWEZNQCLSA-N 1 1 285.391 3.151 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)CCS1 ZINC000076065712 165110070 /nfs/dbraw/zinc/11/00/70/165110070.db2.gz VZWKYUMKFIMLFA-OAHLLOKOSA-N 1 1 260.406 3.132 20 30 CGEDMO COCC[N@@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000077408908 165119223 /nfs/dbraw/zinc/11/92/23/165119223.db2.gz WXIZVPYRWSRBSR-UHFFFAOYSA-N 1 1 280.371 3.303 20 30 CGEDMO COc1ccc(C[N@@H+](C)Cc2cccs2)cc1C#N ZINC000087833157 165190892 /nfs/dbraw/zinc/19/08/92/165190892.db2.gz OWMKPHBZTWJCQN-UHFFFAOYSA-N 1 1 272.373 3.260 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccccc1 ZINC000020260963 171118359 /nfs/dbraw/zinc/11/83/59/171118359.db2.gz DQNMKYOAIYBFCM-UHFFFAOYSA-N 1 1 293.370 3.019 20 30 CGEDMO N#Cc1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000020362104 171161131 /nfs/dbraw/zinc/16/11/31/171161131.db2.gz LCTCZZIBNQAVJC-SFHVURJKSA-N 1 1 277.371 3.245 20 30 CGEDMO Cc1noc(C)c1C(C)(C)[NH2+]Cc1ccc(C#N)cc1F ZINC000285623198 196346108 /nfs/dbraw/zinc/34/61/08/196346108.db2.gz YFIWDIMEFMWRHZ-UHFFFAOYSA-N 1 1 287.338 3.327 20 30 CGEDMO CC[C@H](C)C[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC000037173151 173006755 /nfs/dbraw/zinc/00/67/55/173006755.db2.gz QFIBREQRJFEXTI-AWEZNQCLSA-N 1 1 260.381 3.305 20 30 CGEDMO C[C@@H]1CCC[C@](CNCc2cccc(C#N)c2)([NH+](C)C)C1 ZINC000040668236 174367415 /nfs/dbraw/zinc/36/74/15/174367415.db2.gz KZIWQBCFSHUQFJ-QAPCUYQASA-N 1 1 285.435 3.158 20 30 CGEDMO N#C[C@H]1CC[C@@H]([N@H+]2CCCc3ccccc3CC2)C1 ZINC000334634326 225181030 /nfs/dbraw/zinc/18/10/30/225181030.db2.gz DHZXBMMWFVETRD-WMLDXEAASA-N 1 1 254.377 3.170 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCC[C@]3(CCSC3)C2)cc1 ZINC000334656803 225260439 /nfs/dbraw/zinc/26/04/39/225260439.db2.gz ZKOBPJVNMSKSAW-KRWDZBQOSA-N 1 1 286.444 3.472 20 30 CGEDMO CC(C)(C)[C@H]1CC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000131334841 287376291 /nfs/dbraw/zinc/37/62/91/287376291.db2.gz QRSHPNVRRIEYOP-HNNXBMFYSA-N 1 1 272.392 3.305 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CCOCc1ccc(OC)cc1 ZINC000683793093 543943010 /nfs/dbraw/zinc/94/30/10/543943010.db2.gz PGQBMPDDCUZDJV-INIZCTEOSA-N 1 1 275.392 3.252 20 30 CGEDMO C[C@H]1c2cccn2CC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000334143198 227332398 /nfs/dbraw/zinc/33/23/98/227332398.db2.gz QFWSFXGWRBNDLL-AWEZNQCLSA-N 1 1 265.360 3.131 20 30 CGEDMO C[C@H]1c2cccn2CC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000334143198 227332401 /nfs/dbraw/zinc/33/24/01/227332401.db2.gz QFWSFXGWRBNDLL-AWEZNQCLSA-N 1 1 265.360 3.131 20 30 CGEDMO C=CCCCCCNC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654666957 418994500 /nfs/dbraw/zinc/99/45/00/418994500.db2.gz IAFJLHLORJBQLV-HZPDHXFCSA-N 1 1 293.455 3.049 20 30 CGEDMO C=CC[N@H+](CCO[C@H]1CC1(F)F)Cc1ccccc1 ZINC000659824122 419001367 /nfs/dbraw/zinc/00/13/67/419001367.db2.gz ZHUWUJHSNAMWTH-AWEZNQCLSA-N 1 1 267.319 3.099 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)C[C@H](OC)C1CCC1 ZINC000660226507 419105241 /nfs/dbraw/zinc/10/52/41/419105241.db2.gz XTWWDMOCSOGCAY-INIZCTEOSA-N 1 1 263.381 3.125 20 30 CGEDMO C=CCCn1cc(C[N@H+]2CCC[C@@H]2CC2CCCC2)nn1 ZINC000653892296 419105324 /nfs/dbraw/zinc/10/53/24/419105324.db2.gz FVFNQRDYFHQQPT-QGZVFWFLSA-N 1 1 288.439 3.399 20 30 CGEDMO C=CCCn1cc(C[NH2+]C2(c3ccccc3)CCC2)nn1 ZINC000653572719 419053749 /nfs/dbraw/zinc/05/37/49/419053749.db2.gz WYWWYHOJIFKGFM-UHFFFAOYSA-N 1 1 282.391 3.023 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CCCC(C)(C)[C@@H]2CC=C)nn1 ZINC000653647059 419065331 /nfs/dbraw/zinc/06/53/31/419065331.db2.gz UIEJZMYELBUBEO-INIZCTEOSA-N 1 1 288.439 3.421 20 30 CGEDMO C=CCC1(NC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CCCC1 ZINC000665552015 419137411 /nfs/dbraw/zinc/13/74/11/419137411.db2.gz TYMWUAFVDDQKAB-AWEZNQCLSA-N 1 1 293.455 3.047 20 30 CGEDMO C=CCCn1cc(C[NH2+]Cc2cc3ccccc3s2)nn1 ZINC000657329749 419251938 /nfs/dbraw/zinc/25/19/38/419251938.db2.gz CYJIDDYUHMHHER-UHFFFAOYSA-N 1 1 298.415 3.359 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2CC)C1 ZINC000661376914 419254956 /nfs/dbraw/zinc/25/49/56/419254956.db2.gz GQHWAGMKHLVGQZ-OAHLLOKOSA-N 1 1 286.419 3.476 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2csc(COC)n2)C1 ZINC000661379785 419255380 /nfs/dbraw/zinc/25/53/80/419255380.db2.gz IIGUUWKGFMZZHW-GFCCVEGCSA-N 1 1 266.410 3.078 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2csc(COC)n2)C1 ZINC000661379785 419255382 /nfs/dbraw/zinc/25/53/82/419255382.db2.gz IIGUUWKGFMZZHW-GFCCVEGCSA-N 1 1 266.410 3.078 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](CC(=O)N[C@@H](C)c2cccs2)C1 ZINC000661377963 419255840 /nfs/dbraw/zinc/25/58/40/419255840.db2.gz XYWYQOMVLOQDBB-KBPBESRZSA-N 1 1 292.448 3.213 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](C[C@H](O)Cc2ccc(F)cc2)C1 ZINC000661383580 419255999 /nfs/dbraw/zinc/25/59/99/419255999.db2.gz FCRNHCUCYPFEEG-DOTOQJQBSA-N 1 1 277.383 3.017 20 30 CGEDMO C=CCOc1ccc(C[NH2+]Cc2nccn2C(C)C)cc1 ZINC000657461055 419284192 /nfs/dbraw/zinc/28/41/92/419284192.db2.gz OPBFTRBWFQFFOK-UHFFFAOYSA-N 1 1 285.391 3.319 20 30 CGEDMO C=CC[N@@H+](Cc1cnc2ccccc2n1)C(C)(C)C ZINC000661758036 419296004 /nfs/dbraw/zinc/29/60/04/419296004.db2.gz OWSWICCTKLLOQP-UHFFFAOYSA-N 1 1 255.365 3.416 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1nc(CC)c(C)s1)C(C)(C)C ZINC000661759523 419296331 /nfs/dbraw/zinc/29/63/31/419296331.db2.gz IDZHICBCBQBBJA-UHFFFAOYSA-N 1 1 295.452 3.239 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000662078222 419332142 /nfs/dbraw/zinc/33/21/42/419332142.db2.gz CWLNQUNAIBFDHA-AEGPPILISA-N 1 1 296.374 3.376 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1COc2ccccc2O1 ZINC000662082988 419333346 /nfs/dbraw/zinc/33/33/46/419333346.db2.gz ZBCSJBDZHNOUIL-ZNMIVQPWSA-N 1 1 271.360 3.009 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)N(C)c1ccccc1 ZINC000662087929 419334247 /nfs/dbraw/zinc/33/42/47/419334247.db2.gz PXASBTMUORTIGK-CALCHBBNSA-N 1 1 284.403 3.223 20 30 CGEDMO C=CCC[C@H](N[C@@H]1CC[N@@H+](CCC)C1)c1ccco1 ZINC000658287536 419739053 /nfs/dbraw/zinc/73/90/53/419739053.db2.gz ZZYFBNJOHIKGCM-CABCVRRESA-N 1 1 262.397 3.361 20 30 CGEDMO C=CCC[C@H](N[C@@H]1CC[N@H+](CCC)C1)c1ccco1 ZINC000658287536 419739062 /nfs/dbraw/zinc/73/90/62/419739062.db2.gz ZZYFBNJOHIKGCM-CABCVRRESA-N 1 1 262.397 3.361 20 30 CGEDMO CC[C@@H]1C[C@@H](C[N@@H+](CCC#N)CCC(C)C)CCO1 ZINC000356999567 260122404 /nfs/dbraw/zinc/12/24/04/260122404.db2.gz VFABCIKQQNPOHX-JKSUJKDBSA-N 1 1 266.429 3.453 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]Cc1ncccc1C ZINC000071339702 260161884 /nfs/dbraw/zinc/16/18/84/260161884.db2.gz YIIYBFBYNRJITI-UHFFFAOYSA-N 1 1 268.360 3.245 20 30 CGEDMO C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000299532653 260188534 /nfs/dbraw/zinc/18/85/34/260188534.db2.gz SOOIQEZPIDYGEO-LBPRGKRZSA-N 1 1 298.839 3.010 20 30 CGEDMO C#CC[N@@H+](CC[C@H]1CCOC1)[C@H]1CCc2ccccc21 ZINC000490714836 261191312 /nfs/dbraw/zinc/19/13/12/261191312.db2.gz RMDVXWZIKQMUHH-YJBOKZPZSA-N 1 1 269.388 3.036 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)Cc1ccccn1 ZINC000104948833 261305138 /nfs/dbraw/zinc/30/51/38/261305138.db2.gz PKQACPJNBSNVJZ-UHFFFAOYSA-N 1 1 252.361 3.312 20 30 CGEDMO Cc1ncc(C[N@H+](C)CC(C)(C)CCC#N)s1 ZINC000179384355 261782441 /nfs/dbraw/zinc/78/24/41/261782441.db2.gz TWRLZNFPEIAVIC-UHFFFAOYSA-N 1 1 251.399 3.213 20 30 CGEDMO C[C@@H](c1nc2ccccc2o1)[NH+]1CCC(C#N)CC1 ZINC000181040380 261882463 /nfs/dbraw/zinc/88/24/63/261882463.db2.gz OXEQMXPREFTUCL-NSHDSACASA-N 1 1 255.321 3.124 20 30 CGEDMO C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1[NH2+]CCCCC#N ZINC000184752837 262028913 /nfs/dbraw/zinc/02/89/13/262028913.db2.gz AVUSHIGLIDERGV-IAGOWNOFSA-N 1 1 299.462 3.426 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000365490689 262367544 /nfs/dbraw/zinc/36/75/44/262367544.db2.gz MXUFCFKTQJCNOB-OAHLLOKOSA-N 1 1 261.413 3.031 20 30 CGEDMO C=CCCCN1CC[N@@H+](CCCC=C)CC(C)C1 ZINC000451895985 263000433 /nfs/dbraw/zinc/00/04/33/263000433.db2.gz ZKJNLIBBFLRQDA-UHFFFAOYSA-N 1 1 250.430 3.173 20 30 CGEDMO C[C@@H](CCC#N)[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000276316934 263036184 /nfs/dbraw/zinc/03/61/84/263036184.db2.gz NTHZLWKQUQKIJQ-DOTOQJQBSA-N 1 1 272.392 3.012 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000276316934 263036185 /nfs/dbraw/zinc/03/61/85/263036185.db2.gz NTHZLWKQUQKIJQ-DOTOQJQBSA-N 1 1 272.392 3.012 20 30 CGEDMO Cc1ccccc1OCCC[N@H+](C)[C@H]1CC[C@H](C#N)C1 ZINC000278701665 263049781 /nfs/dbraw/zinc/04/97/81/263049781.db2.gz SYVWDLFZJPTMKX-HOTGVXAUSA-N 1 1 272.392 3.388 20 30 CGEDMO C[C@@H](c1nc2ccccc2s1)[N@H+](C)CCOCCC#N ZINC000292677692 263133568 /nfs/dbraw/zinc/13/35/68/263133568.db2.gz BPKARZUXHIWAFB-LBPRGKRZSA-N 1 1 289.404 3.219 20 30 CGEDMO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)CCOCCC#N ZINC000292677692 263133569 /nfs/dbraw/zinc/13/35/69/263133569.db2.gz BPKARZUXHIWAFB-LBPRGKRZSA-N 1 1 289.404 3.219 20 30 CGEDMO CC[C@@H]1CC[N@H+]1Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000292713950 263134281 /nfs/dbraw/zinc/13/42/81/263134281.db2.gz DNLIFJMRHYOCHM-QGZVFWFLSA-N 1 1 294.402 3.448 20 30 CGEDMO Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CCOCCC#N)o1 ZINC000292925901 263136653 /nfs/dbraw/zinc/13/66/53/263136653.db2.gz YNLUZVGMEIXUKL-ZFWWWQNUSA-N 1 1 276.380 3.291 20 30 CGEDMO COc1ccc([C@@H]2CC[N@H+]([C@@H]3CC[C@@H](C#N)C3)C2)cc1 ZINC000292983396 263136901 /nfs/dbraw/zinc/13/69/01/263136901.db2.gz FMEAIIFOPIGTOS-FVQBIDKESA-N 1 1 270.376 3.177 20 30 CGEDMO C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1[C@H]1CC[C@H](C#N)C1 ZINC000293482097 263141180 /nfs/dbraw/zinc/14/11/80/263141180.db2.gz FWJZETBLUYEOHJ-KEYYUXOJSA-N 1 1 287.382 3.028 20 30 CGEDMO C[C@H]1CC[C@@H](c2ccccc2)[N@@H+](CCOCCC#N)C1 ZINC000293726482 263148101 /nfs/dbraw/zinc/14/81/01/263148101.db2.gz YWWXUWRKBCBBDC-RDJZCZTQSA-N 1 1 272.392 3.390 20 30 CGEDMO CC1(C)C[N@H+]([C@H]2CC[C@@H](C#N)C2)Cc2ccccc21 ZINC000293817656 263150288 /nfs/dbraw/zinc/15/02/88/263150288.db2.gz OUHAEUKWJBGAHG-HIFRSBDPSA-N 1 1 254.377 3.472 20 30 CGEDMO C[C@H](CCC#N)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000298429428 263219498 /nfs/dbraw/zinc/21/94/98/263219498.db2.gz GITINOVRUVTQBE-IEBWSBKVSA-N 1 1 297.446 3.277 20 30 CGEDMO C[C@H](CCC#N)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000298429428 263219500 /nfs/dbraw/zinc/21/95/00/263219500.db2.gz GITINOVRUVTQBE-IEBWSBKVSA-N 1 1 297.446 3.277 20 30 CGEDMO C[C@H](CCC#N)[N@@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000298429428 263219501 /nfs/dbraw/zinc/21/95/01/263219501.db2.gz GITINOVRUVTQBE-IEBWSBKVSA-N 1 1 297.446 3.277 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CC[C@@]2(CCN(Cc3ccccc3)C2)C1 ZINC000298429428 263219504 /nfs/dbraw/zinc/21/95/04/263219504.db2.gz GITINOVRUVTQBE-IEBWSBKVSA-N 1 1 297.446 3.277 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000298553577 263222131 /nfs/dbraw/zinc/22/21/31/263222131.db2.gz YWZSLVWQGQGSBZ-SWLSCSKDSA-N 1 1 278.783 3.485 20 30 CGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)CC(C)C ZINC000340678949 263285577 /nfs/dbraw/zinc/28/55/77/263285577.db2.gz ZMHNIIWEYMISIB-CQSZACIVSA-N 1 1 294.464 3.239 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)Nc1cccc(SC)c1 ZINC000076737468 264343068 /nfs/dbraw/zinc/34/30/68/264343068.db2.gz MSTARCBHVADCNK-UHFFFAOYSA-N 1 1 278.421 3.245 20 30 CGEDMO CC1(C)C[NH+](CC#Cc2ccc(F)cc2)CC(C)(C)O1 ZINC000190553900 264396332 /nfs/dbraw/zinc/39/63/32/264396332.db2.gz RJVVXQWRHSJBEG-UHFFFAOYSA-N 1 1 275.367 3.067 20 30 CGEDMO C=C(Cl)C[NH2+][C@H](C)c1cnc(OC)c(Cl)c1 ZINC000284068261 264524089 /nfs/dbraw/zinc/52/40/89/264524089.db2.gz AQGVCWSQIHVCNP-MRVPVSSYSA-N 1 1 261.152 3.147 20 30 CGEDMO Cc1noc(C)c1C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000189193825 270070928 /nfs/dbraw/zinc/07/09/28/270070928.db2.gz KYXSGUBZFGLTFS-LBPRGKRZSA-N 1 1 269.348 3.356 20 30 CGEDMO Cc1noc(C)c1C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000189193825 270070929 /nfs/dbraw/zinc/07/09/29/270070929.db2.gz KYXSGUBZFGLTFS-LBPRGKRZSA-N 1 1 269.348 3.356 20 30 CGEDMO CCN(CC)[C@@H](C[NH2+]Cc1ccc(C#N)cc1)CC(C)C ZINC000236845503 266119895 /nfs/dbraw/zinc/11/98/95/266119895.db2.gz HTMGRXHQYMRBDY-GOSISDBHSA-N 1 1 287.451 3.404 20 30 CGEDMO COCC1(C[N@@H+](CCC#N)CCC(C)C)CCC1 ZINC000361308113 266821364 /nfs/dbraw/zinc/82/13/64/266821364.db2.gz KHWBYNJMEPFDJE-UHFFFAOYSA-N 1 1 252.402 3.065 20 30 CGEDMO C=CC[N@H+](CCC(=O)NCCCC)Cc1cccs1 ZINC000116270652 267136632 /nfs/dbraw/zinc/13/66/32/267136632.db2.gz RBLIGRPYTLYEBP-UHFFFAOYSA-N 1 1 280.437 3.043 20 30 CGEDMO C[C@H](CN1CCCCCC1)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000186728659 267155600 /nfs/dbraw/zinc/15/56/00/267155600.db2.gz YRVNOWRUOQZROL-CVEARBPZSA-N 1 1 285.435 3.473 20 30 CGEDMO CC1CCC(O)(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)CC1 ZINC000368352683 267165063 /nfs/dbraw/zinc/16/50/63/267165063.db2.gz VNKGSFYZQXNHJV-BEVRRMAYSA-N 1 1 298.430 3.167 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000368439656 267172873 /nfs/dbraw/zinc/17/28/73/267172873.db2.gz WVNIJUJXRLFYDF-GJZGRUSLSA-N 1 1 264.413 3.065 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CC[C@@H](Cc3ccncc3)C2)cc1 ZINC000368485901 267176626 /nfs/dbraw/zinc/17/66/26/267176626.db2.gz LDHKGRVWJGMQFX-SFHVURJKSA-N 1 1 294.373 3.137 20 30 CGEDMO C[C@H]1[N@@H+](CCCC(C)(C)C#N)CCC12CCOCC2 ZINC000368814894 267206202 /nfs/dbraw/zinc/20/62/02/267206202.db2.gz XGQYGUHJFGDLGZ-CQSZACIVSA-N 1 1 264.413 3.207 20 30 CGEDMO COc1ccc(C[C@@H]2CCC[N@@H+](CCCC#N)C2)cc1 ZINC000369620160 267256146 /nfs/dbraw/zinc/25/61/46/267256146.db2.gz VVUIUVBGFPDDTR-INIZCTEOSA-N 1 1 272.392 3.253 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCC2(CCCC2)O1 ZINC000530360756 267315027 /nfs/dbraw/zinc/31/50/27/267315027.db2.gz HZPGQUMVPRYUJY-KRWDZBQOSA-N 1 1 284.403 3.482 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000370494602 267323925 /nfs/dbraw/zinc/32/39/25/267323925.db2.gz HAIJCDUOAKCNQF-XJKSGUPXSA-N 1 1 281.346 3.429 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000371062098 267348391 /nfs/dbraw/zinc/34/83/91/267348391.db2.gz ADNZLRYFXMUKAH-OAHLLOKOSA-N 1 1 264.413 3.065 20 30 CGEDMO N#CC1(C[NH2+]Cc2ccccc2OCC(F)(F)F)CCC1 ZINC000418143069 267365111 /nfs/dbraw/zinc/36/51/11/267365111.db2.gz OOSQJOGSIUJIMG-UHFFFAOYSA-N 1 1 298.308 3.411 20 30 CGEDMO C#CCC[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)no1 ZINC000371193830 267367227 /nfs/dbraw/zinc/36/72/27/267367227.db2.gz BDBLMTJMHSIQKS-UHFFFAOYSA-N 1 1 286.350 3.368 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)N1CCCC[C@H]1CC ZINC000120108671 267381273 /nfs/dbraw/zinc/38/12/73/267381273.db2.gz ORXQJYIZYZGZHR-LSDHHAIUSA-N 1 1 266.429 3.064 20 30 CGEDMO C[C@H]1CC(F)(F)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000528766031 270171856 /nfs/dbraw/zinc/17/18/56/270171856.db2.gz BXHLZEQVDMGBNP-JTQLQIEISA-N 1 1 268.282 3.317 20 30 CGEDMO C[C@H]1CC(F)(F)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000528766031 270171857 /nfs/dbraw/zinc/17/18/57/270171857.db2.gz BXHLZEQVDMGBNP-JTQLQIEISA-N 1 1 268.282 3.317 20 30 CGEDMO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1cccc(C#N)c1F ZINC000528775074 270172871 /nfs/dbraw/zinc/17/28/71/270172871.db2.gz WVALYPQYVFGNTP-SNVBAGLBSA-N 1 1 268.282 3.317 20 30 CGEDMO C[C@@H]1CC(F)(F)CC[N@H+]1Cc1cccc(C#N)c1F ZINC000528775074 270172872 /nfs/dbraw/zinc/17/28/72/270172872.db2.gz WVALYPQYVFGNTP-SNVBAGLBSA-N 1 1 268.282 3.317 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@H]1CO ZINC000305699594 267972991 /nfs/dbraw/zinc/97/29/91/267972991.db2.gz BEGDBYLJKICILY-PBHICJAKSA-N 1 1 286.419 3.081 20 30 CGEDMO N#Cc1ccc(C[N@@H+](CCc2ccccn2)C2CC2)cc1 ZINC000194968022 268063760 /nfs/dbraw/zinc/06/37/60/268063760.db2.gz KTHJMDQQHMHTRE-UHFFFAOYSA-N 1 1 277.371 3.160 20 30 CGEDMO C[C@@H]([NH2+]C1CCN(C2CCC2)CC1)c1ccc(C#N)cc1 ZINC000271857189 278335555 /nfs/dbraw/zinc/33/55/55/278335555.db2.gz JQVLETGCPFNXBZ-CQSZACIVSA-N 1 1 283.419 3.226 20 30 CGEDMO C[C@@H](NCC[C@@H]1CCCC[N@@H+]1C)c1ccc(C#N)cc1 ZINC000052205645 278348039 /nfs/dbraw/zinc/34/80/39/278348039.db2.gz LOZMUVUEGLFARY-PBHICJAKSA-N 1 1 271.408 3.083 20 30 CGEDMO C[C@@H](NCC[C@@H]1CCCC[N@H+]1C)c1ccc(C#N)cc1 ZINC000052205645 278348040 /nfs/dbraw/zinc/34/80/40/278348040.db2.gz LOZMUVUEGLFARY-PBHICJAKSA-N 1 1 271.408 3.083 20 30 CGEDMO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)c1nccn1C ZINC000334923934 278371079 /nfs/dbraw/zinc/37/10/79/278371079.db2.gz XTSQOICXNKLKNP-MLGOLLRUSA-N 1 1 280.375 3.020 20 30 CGEDMO C[C@]1(O)CCC[N@@H+](CCC2(C#N)CCCCC2)CC1 ZINC000334645752 280169388 /nfs/dbraw/zinc/16/93/88/280169388.db2.gz KFRYNPWCLOUIPP-HNNXBMFYSA-N 1 1 264.413 3.087 20 30 CGEDMO Cc1oc(NC(=O)C[N@H+](C)[C@H](C)C(C)(C)C)c(C#N)c1C ZINC000532490592 288364708 /nfs/dbraw/zinc/36/47/08/288364708.db2.gz GRAKRADPPCMOJZ-GFCCVEGCSA-N 1 1 291.395 3.073 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000441294175 290218971 /nfs/dbraw/zinc/21/89/71/290218971.db2.gz NHZZMBVNZKPRGJ-ZTFGCOKTSA-N 1 1 284.403 3.368 20 30 CGEDMO COc1cc(C)nc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)c1 ZINC000425367504 533695024 /nfs/dbraw/zinc/69/50/24/533695024.db2.gz TULJUZRXPCKZCU-AWEZNQCLSA-N 1 1 295.386 3.463 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000412084341 328103225 /nfs/dbraw/zinc/10/32/25/328103225.db2.gz YUPMRBOQEGTRQJ-CYBMUJFWSA-N 1 1 253.386 3.006 20 30 CGEDMO COCC[N@@H+](CCCCC(C)(C)C#N)Cc1ccco1 ZINC000278197348 328224526 /nfs/dbraw/zinc/22/45/26/328224526.db2.gz RYRYXHBQJGVANR-UHFFFAOYSA-N 1 1 278.396 3.448 20 30 CGEDMO C[C@H](c1cccs1)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000563668819 322006083 /nfs/dbraw/zinc/00/60/83/322006083.db2.gz BRGNIYZVMPUCEQ-LLVKDONJSA-N 1 1 257.362 3.208 20 30 CGEDMO C[C@H](c1cccs1)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000563668819 322006087 /nfs/dbraw/zinc/00/60/87/322006087.db2.gz BRGNIYZVMPUCEQ-LLVKDONJSA-N 1 1 257.362 3.208 20 30 CGEDMO N#Cc1ccc(C[N@@H+](C2CC2)C2CCCC2)c([N+](=O)[O-])c1 ZINC000566302518 322114747 /nfs/dbraw/zinc/11/47/47/322114747.db2.gz ZICLROZOAFFPJD-UHFFFAOYSA-N 1 1 285.347 3.373 20 30 CGEDMO N#Cc1ccc(C[NH2+]C2(c3ccc(F)cc3F)CCC2)nc1 ZINC000566416875 322121642 /nfs/dbraw/zinc/12/16/42/322121642.db2.gz QBYIYOYNHITAJS-UHFFFAOYSA-N 1 1 299.324 3.400 20 30 CGEDMO C[C@@H]1CCC(C)(C)[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000566681296 322134148 /nfs/dbraw/zinc/13/41/48/322134148.db2.gz GVBIHPJRGQDYBS-LLVKDONJSA-N 1 1 273.336 3.229 20 30 CGEDMO N#Cc1cccc(NC(=O)C[N@H+]2CC[C@H](C3CCCC3)C2)c1 ZINC000567460924 322164160 /nfs/dbraw/zinc/16/41/60/322164160.db2.gz FKHCSFLWSLFOPN-INIZCTEOSA-N 1 1 297.402 3.009 20 30 CGEDMO CC[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000571341005 322296307 /nfs/dbraw/zinc/29/63/07/322296307.db2.gz WIZUNXCBLKQMNF-ZBFHGGJFSA-N 1 1 257.381 3.354 20 30 CGEDMO CCCC[N@@H+](C)C[C@@H](C)Nc1cc(C#N)c2ccccc2n1 ZINC000572212606 322325145 /nfs/dbraw/zinc/32/51/45/322325145.db2.gz OTLZACCAZHUEMC-CQSZACIVSA-N 1 1 296.418 3.061 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccccn2)cc1F ZINC000573388267 322385602 /nfs/dbraw/zinc/38/56/02/322385602.db2.gz ZYZOUXPWCPYUIM-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccccn2)cc1F ZINC000573388267 322385604 /nfs/dbraw/zinc/38/56/04/322385604.db2.gz ZYZOUXPWCPYUIM-KRWDZBQOSA-N 1 1 281.334 3.429 20 30 CGEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H]1C[C@@H]1C ZINC000584199491 327063114 /nfs/dbraw/zinc/06/31/14/327063114.db2.gz JZVDVYWDLGHVSG-HOCLYGCPSA-N 1 1 261.413 3.498 20 30 CGEDMO Cc1ccccc1[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CCO1 ZINC000559105896 327141646 /nfs/dbraw/zinc/14/16/46/327141646.db2.gz JQNFRLZYEPRZTO-INMHGKMJSA-N 1 1 270.376 3.061 20 30 CGEDMO Cc1ccccc1[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C#N)C2)CCO1 ZINC000559105896 327141647 /nfs/dbraw/zinc/14/16/47/327141647.db2.gz JQNFRLZYEPRZTO-INMHGKMJSA-N 1 1 270.376 3.061 20 30 CGEDMO CC[C@@H]1C[C@@H](C)C[N@H+]1CCCC1(C#N)CCOCC1 ZINC000410388766 327190868 /nfs/dbraw/zinc/19/08/68/327190868.db2.gz RXRPSSLVOITYLI-HUUCEWRRSA-N 1 1 264.413 3.207 20 30 CGEDMO N#CCC[NH2+]Cc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000573712655 327253240 /nfs/dbraw/zinc/25/32/40/327253240.db2.gz FGYUFHQADQSXNY-UHFFFAOYSA-N 1 1 278.355 3.292 20 30 CGEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000150899880 327396735 /nfs/dbraw/zinc/39/67/35/327396735.db2.gz CNIUAPROLFNZCS-UHFFFAOYSA-N 1 1 285.391 3.175 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+][C@@H](CC(F)F)c1ccccc1 ZINC000566792368 327461795 /nfs/dbraw/zinc/46/17/95/327461795.db2.gz VCBGDKHWQBFADD-JSGCOSHPSA-N 1 1 277.318 3.416 20 30 CGEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H](C)C#N)c1 ZINC000357786401 328875814 /nfs/dbraw/zinc/87/58/14/328875814.db2.gz ARWSIRCVXCSYPS-CYBMUJFWSA-N 1 1 296.374 3.153 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCOC[C@@H]1c1ccccc1 ZINC000378342588 329046638 /nfs/dbraw/zinc/04/66/38/329046638.db2.gz PBKDJDKRGFAGME-MRXNPFEDSA-N 1 1 272.392 3.390 20 30 CGEDMO CCOCC[N@@H+](CC)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177151551 329180972 /nfs/dbraw/zinc/18/09/72/329180972.db2.gz NHYGYZDOQZAAES-UHFFFAOYSA-N 1 1 299.336 3.415 20 30 CGEDMO C=CCC[C@@H]([NH2+]C1CCN(C(C)C)CC1)C1CC1 ZINC000180403419 329216217 /nfs/dbraw/zinc/21/62/17/329216217.db2.gz XKOGNWVQEBKYAN-MRXNPFEDSA-N 1 1 250.430 3.194 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)Cc1ccc(CO)cc1 ZINC000182600135 329243090 /nfs/dbraw/zinc/24/30/90/329243090.db2.gz GKCLSSKJVXATSG-UHFFFAOYSA-N 1 1 273.401 3.429 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000184087677 329255873 /nfs/dbraw/zinc/25/58/73/329255873.db2.gz HETNXBKWAQVNCB-WBVHZDCISA-N 1 1 288.391 3.026 20 30 CGEDMO CC(C)[NH+](CCCN[C@@H]1CCC[C@@H](C#N)C1)C(C)C ZINC000185853997 329333567 /nfs/dbraw/zinc/33/35/67/329333567.db2.gz ZKEPSHOXCHIEMR-HZPDHXFCSA-N 1 1 265.445 3.167 20 30 CGEDMO C[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000063309133 329378468 /nfs/dbraw/zinc/37/84/68/329378468.db2.gz GIBZYVMLXPGNIC-MRXNPFEDSA-N 1 1 299.418 3.055 20 30 CGEDMO C[N@@H+](CC(C)(C)CCC#N)CC1(O)CCCCCC1 ZINC000190141578 329392399 /nfs/dbraw/zinc/39/23/99/329392399.db2.gz YLCLUWOLDKZHOP-UHFFFAOYSA-N 1 1 266.429 3.333 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@@H](O)C1CCCCC1 ZINC000190594692 329398409 /nfs/dbraw/zinc/39/84/09/329398409.db2.gz ZSMJGYLABBYFIO-OAHLLOKOSA-N 1 1 266.429 3.189 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)C[C@@H]1CCSC1 ZINC000278593229 330117230 /nfs/dbraw/zinc/11/72/30/330117230.db2.gz IGZXQZIWQPGGCP-ZDUSSCGKSA-N 1 1 251.395 3.063 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1ccnc(C)c1 ZINC000527537371 330264052 /nfs/dbraw/zinc/26/40/52/330264052.db2.gz BMUIXFPDWRUMAS-UHFFFAOYSA-N 1 1 256.349 3.214 20 30 CGEDMO C=CCn1cc(C[NH2+][C@H](c2cccc(C)c2)C(C)C)nn1 ZINC000527908603 330290598 /nfs/dbraw/zinc/29/05/98/330290598.db2.gz FWUFHIVXAJFRKU-KRWDZBQOSA-N 1 1 284.407 3.259 20 30 CGEDMO C=CCn1cc(C[NH2+][C@H](CC2CCC2)c2ccccc2)nn1 ZINC000424299671 330336927 /nfs/dbraw/zinc/33/69/27/330336927.db2.gz VWZKEBSVMNBPFO-GOSISDBHSA-N 1 1 296.418 3.485 20 30 CGEDMO N#CCCC[C@@H]([NH3+])c1nc(Cc2ccccc2Cl)no1 ZINC000424336024 330343496 /nfs/dbraw/zinc/34/34/96/330343496.db2.gz ICJRQHXVLQDTCU-GFCCVEGCSA-N 1 1 290.754 3.007 20 30 CGEDMO C=CCCC[N@@H+](CC(N)=O)[C@H](C)c1ccc(CCC)cc1 ZINC000533348754 330358466 /nfs/dbraw/zinc/35/84/66/330358466.db2.gz FOGMOEMJCBTSKS-OAHLLOKOSA-N 1 1 288.435 3.454 20 30 CGEDMO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1CCCC#N ZINC000088562431 330377338 /nfs/dbraw/zinc/37/73/38/330377338.db2.gz UBZIDQBVYOVKSW-OAHLLOKOSA-N 1 1 257.381 3.021 20 30 CGEDMO N#CC1(C[NH2+][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)CCC1 ZINC000450846197 331002413 /nfs/dbraw/zinc/00/24/13/331002413.db2.gz OXOYFPWUOOZRKS-GJZGRUSLSA-N 1 1 292.329 3.078 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000450875586 331004138 /nfs/dbraw/zinc/00/41/38/331004138.db2.gz FMFNAADEFNWILJ-USXIJHARSA-N 1 1 259.393 3.192 20 30 CGEDMO C=CCC[C@H](CO)Nc1cc[nH+]c2ccc(Cl)cc12 ZINC000450894653 331005423 /nfs/dbraw/zinc/00/54/23/331005423.db2.gz JQVXITXKYLZYPP-GFCCVEGCSA-N 1 1 276.767 3.049 20 30 CGEDMO C=CCC[C@H](CO)Nc1cc(C)[nH+]c2c(OC)cccc12 ZINC000450900056 331005797 /nfs/dbraw/zinc/00/57/97/331005797.db2.gz UBFADVIPOGFQFF-CYBMUJFWSA-N 1 1 286.375 3.291 20 30 CGEDMO C=CCOCC[N@@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000450998745 331011214 /nfs/dbraw/zinc/01/12/14/331011214.db2.gz LYFNDTQTDCQGQL-UHFFFAOYSA-N 1 1 294.826 3.055 20 30 CGEDMO N#CCc1ccc(C[N@H+]2CCC=C(c3cccnc3)C2)cc1 ZINC000451029243 331012499 /nfs/dbraw/zinc/01/24/99/331012499.db2.gz ULDKLJSADXCJPE-UHFFFAOYSA-N 1 1 289.382 3.437 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]1C ZINC000451150469 331017783 /nfs/dbraw/zinc/01/77/83/331017783.db2.gz WOHCMCAEXZGABR-UMSGYPCISA-N 1 1 279.346 3.365 20 30 CGEDMO Clc1cccc(C#CCn2c[nH+]c3c2CCCC3)c1 ZINC000451192522 331019785 /nfs/dbraw/zinc/01/97/85/331019785.db2.gz WGVMLOYOVRDYHJ-UHFFFAOYSA-N 1 1 270.763 3.467 20 30 CGEDMO COc1c(C)c[nH+]c(CN(C)CC#Cc2ccccc2)c1C ZINC000451380025 331026408 /nfs/dbraw/zinc/02/64/08/331026408.db2.gz WTIPGQCWOKIAOW-UHFFFAOYSA-N 1 1 294.398 3.191 20 30 CGEDMO CCO[C@@H]1CC[N@H+](CC#Cc2ccccc2Cl)C[C@@H]1C ZINC000451524126 331032525 /nfs/dbraw/zinc/03/25/25/331032525.db2.gz DSSDCHYBFXMXBX-WMLDXEAASA-N 1 1 291.822 3.438 20 30 CGEDMO CCO[C@@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C[C@@H]1C ZINC000451524126 331032526 /nfs/dbraw/zinc/03/25/26/331032526.db2.gz DSSDCHYBFXMXBX-WMLDXEAASA-N 1 1 291.822 3.438 20 30 CGEDMO Clc1ccccc1C#CC[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451900792 331046705 /nfs/dbraw/zinc/04/67/05/331046705.db2.gz MDQNKHMOQMPANF-KRWDZBQOSA-N 1 1 289.806 3.194 20 30 CGEDMO Clc1ccccc1C#CC[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000451900792 331046706 /nfs/dbraw/zinc/04/67/06/331046706.db2.gz MDQNKHMOQMPANF-KRWDZBQOSA-N 1 1 289.806 3.194 20 30 CGEDMO N#CCCOCC[N@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000451967762 331048641 /nfs/dbraw/zinc/04/86/41/331048641.db2.gz HQJSAYJPYVSWAJ-HNNXBMFYSA-N 1 1 280.318 3.032 20 30 CGEDMO N#CCCOCC[N@@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC000451967762 331048642 /nfs/dbraw/zinc/04/86/42/331048642.db2.gz HQJSAYJPYVSWAJ-HNNXBMFYSA-N 1 1 280.318 3.032 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000451974138 331049003 /nfs/dbraw/zinc/04/90/03/331049003.db2.gz RTZUORROWKLBGX-XJKSGUPXSA-N 1 1 281.346 3.429 20 30 CGEDMO C=CCC1(C(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)CCCC1 ZINC000452165653 331056800 /nfs/dbraw/zinc/05/68/00/331056800.db2.gz QKEQSWFJKXZOAD-HNNXBMFYSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC(C)(C)CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000452775728 331076488 /nfs/dbraw/zinc/07/64/88/331076488.db2.gz PEIHQOOSOKROPD-HNNXBMFYSA-N 1 1 274.408 3.008 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000459595899 331289951 /nfs/dbraw/zinc/28/99/51/331289951.db2.gz XMEFBYBSYXJFTL-HNNXBMFYSA-N 1 1 253.386 3.006 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@@](C)(CCC)C1 ZINC000464839240 331370760 /nfs/dbraw/zinc/37/07/60/331370760.db2.gz PGXTYOGEPHJRLT-FUHWJXTLSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@@H](CCC)C1 ZINC000466478248 331398049 /nfs/dbraw/zinc/39/80/49/331398049.db2.gz YFKXBBVUWRMTBU-JKSUJKDBSA-N 1 1 278.440 3.088 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(C)cc(C)c1 ZINC000489437109 332052166 /nfs/dbraw/zinc/05/21/66/332052166.db2.gz VVGAXPVOGIQODM-INIZCTEOSA-N 1 1 272.392 3.282 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(C)cc(C)c1 ZINC000489437109 332052168 /nfs/dbraw/zinc/05/21/68/332052168.db2.gz VVGAXPVOGIQODM-INIZCTEOSA-N 1 1 272.392 3.282 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cccc(NC(C)=O)c1 ZINC000489477701 332055184 /nfs/dbraw/zinc/05/51/84/332055184.db2.gz JVWVYMYVAROTBK-INIZCTEOSA-N 1 1 258.365 3.186 20 30 CGEDMO C#CC[N@H+](CCc1c(C)noc1C)C1CCCCC1 ZINC000490892108 332125617 /nfs/dbraw/zinc/12/56/17/332125617.db2.gz JSFJEHSCQUJTAI-UHFFFAOYSA-N 1 1 260.381 3.102 20 30 CGEDMO C=C(CC)C[N@@H+](Cc1ccc(OC)cc1)[C@H](CO)C(C)C ZINC000491354788 332196178 /nfs/dbraw/zinc/19/61/78/332196178.db2.gz DEBCJLZACDRMSN-GOSISDBHSA-N 1 1 291.435 3.480 20 30 CGEDMO C#CC[NH+]1CCC(c2nc(CC3(C)CCCC3)no2)CC1 ZINC000491627019 332250432 /nfs/dbraw/zinc/25/04/32/332250432.db2.gz JMCMJVLQWFBUQJ-UHFFFAOYSA-N 1 1 287.407 3.005 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000305819148 333000046 /nfs/dbraw/zinc/00/00/46/333000046.db2.gz PREGOAPVGWQXNN-BBRMVZONSA-N 1 1 297.826 3.286 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000185149971 333136145 /nfs/dbraw/zinc/13/61/45/333136145.db2.gz FAJZSCHPMFJHEK-XHSDSOJGSA-N 1 1 280.456 3.073 20 30 CGEDMO CC[N@@H+](Cc1ccc2c(c1)COC(C)(C)O2)C[C@H](C)C#N ZINC000186640359 333164040 /nfs/dbraw/zinc/16/40/40/333164040.db2.gz NYIBEUZXJNELMT-CYBMUJFWSA-N 1 1 288.391 3.313 20 30 CGEDMO CC[N@H+](Cc1ccc2c(c1)COC(C)(C)O2)C[C@H](C)C#N ZINC000186640359 333164041 /nfs/dbraw/zinc/16/40/41/333164041.db2.gz NYIBEUZXJNELMT-CYBMUJFWSA-N 1 1 288.391 3.313 20 30 CGEDMO C=CC[N@H+](C[C@H](O)CC(F)(F)F)CC1CCCCC1 ZINC000189275208 333188917 /nfs/dbraw/zinc/18/89/17/333188917.db2.gz XXEDVRUFPUXEIF-CYBMUJFWSA-N 1 1 279.346 3.368 20 30 CGEDMO CC(C)C[C@@]1(CO)CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000191647717 333222782 /nfs/dbraw/zinc/22/27/82/333222782.db2.gz YVYYTRCXCLQMSX-GOSISDBHSA-N 1 1 289.394 3.050 20 30 CGEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+](C)C[C@@H](C)CC ZINC000523606607 333333743 /nfs/dbraw/zinc/33/37/43/333333743.db2.gz HLLDEDFSUBMGTG-DOTOQJQBSA-N 1 1 291.435 3.133 20 30 CGEDMO C=CCOCC[N@@H+](C)Cc1ccccc1Br ZINC000338888308 335137156 /nfs/dbraw/zinc/13/71/56/335137156.db2.gz PHQWDQUGIVNFFC-UHFFFAOYSA-N 1 1 284.197 3.084 20 30 CGEDMO C=CCOCC[N@H+](C)Cc1ccccc1Br ZINC000338888308 335137157 /nfs/dbraw/zinc/13/71/57/335137157.db2.gz PHQWDQUGIVNFFC-UHFFFAOYSA-N 1 1 284.197 3.084 20 30 CGEDMO C[C@@H](C#N)C[NH2+]Cc1cnc(-c2ccsc2)s1 ZINC000543624153 333885535 /nfs/dbraw/zinc/88/55/35/333885535.db2.gz RQUWVWLCLCZEMG-VIFPVBQESA-N 1 1 263.391 3.121 20 30 CGEDMO C=CCC[C@@H]([NH2+]CC1(CN(C)C)CCCC1)C1CC1 ZINC000546224980 334020213 /nfs/dbraw/zinc/02/02/13/334020213.db2.gz XXCBWUYLZBJWQO-MRXNPFEDSA-N 1 1 264.457 3.443 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1ccc(CC#N)cc1)C1CCCCC1 ZINC000546722611 334048138 /nfs/dbraw/zinc/04/81/38/334048138.db2.gz STVMYMHZZOVKQY-UHFFFAOYSA-N 1 1 299.418 3.346 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000135136623 334117209 /nfs/dbraw/zinc/11/72/09/334117209.db2.gz AQCIDMPMOMMPBC-RDJZCZTQSA-N 1 1 280.456 3.073 20 30 CGEDMO N#CCC[N@@H+](CCOc1ccc(Cl)cc1)CC1CC1 ZINC000081043542 334177053 /nfs/dbraw/zinc/17/70/53/334177053.db2.gz IUXSKDORUHCGKH-UHFFFAOYSA-N 1 1 278.783 3.344 20 30 CGEDMO N#CCC[N@H+](CCOc1ccc(Cl)cc1)CC1CC1 ZINC000081043542 334177054 /nfs/dbraw/zinc/17/70/54/334177054.db2.gz IUXSKDORUHCGKH-UHFFFAOYSA-N 1 1 278.783 3.344 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)cc1Cl ZINC000249769028 334340188 /nfs/dbraw/zinc/34/01/88/334340188.db2.gz BKTLOOAMNPAERR-IUODEOHRSA-N 1 1 295.810 3.108 20 30 CGEDMO COc1ccc(C[C@@H](C)C[N@@H+](C)CCCC#N)cc1 ZINC000090619014 334364913 /nfs/dbraw/zinc/36/49/13/334364913.db2.gz UTZMKNREVDQVTF-CQSZACIVSA-N 1 1 260.381 3.109 20 30 CGEDMO CCc1[nH+]c2ccccc2c(NCC2(C#N)CC2)c1C ZINC000565499845 334569281 /nfs/dbraw/zinc/56/92/81/334569281.db2.gz BZYOGHOFJHDPKG-UHFFFAOYSA-N 1 1 265.360 3.243 20 30 CGEDMO COCC[N@@H+](Cc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000342766271 335186835 /nfs/dbraw/zinc/18/68/35/335186835.db2.gz TYDRMYJRMIUZKK-UHFFFAOYSA-N 1 1 294.398 3.401 20 30 CGEDMO C[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000343750220 335218758 /nfs/dbraw/zinc/21/87/58/335218758.db2.gz NGPSAOWNYVRDCU-CQSZACIVSA-N 1 1 265.360 3.341 20 30 CGEDMO Cc1cccc(CC[N@@H+](Cc2ccc(C#N)cc2)C2CC2)n1 ZINC000576752135 335243209 /nfs/dbraw/zinc/24/32/09/335243209.db2.gz YTYOJFVBWFWFGF-UHFFFAOYSA-N 1 1 291.398 3.469 20 30 CGEDMO C[C@@H]1C[N@@H+](C)CC[C@H]1Nc1cccc(OCCCC#N)c1 ZINC000346549070 335368961 /nfs/dbraw/zinc/36/89/61/335368961.db2.gz OVTJQNZKQJHOCX-RHSMWYFYSA-N 1 1 287.407 3.121 20 30 CGEDMO C[C@@H](c1nc(C(C)(C)C)no1)[NH+]1CCC(CCC#N)CC1 ZINC000577950629 335435796 /nfs/dbraw/zinc/43/57/96/335435796.db2.gz TXZSPXQLXVDLRZ-LBPRGKRZSA-N 1 1 290.411 3.444 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)nc1 ZINC000581348709 336056416 /nfs/dbraw/zinc/05/64/16/336056416.db2.gz PTCKHJNHTMAQAS-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)nc1 ZINC000581348709 336056417 /nfs/dbraw/zinc/05/64/17/336056417.db2.gz PTCKHJNHTMAQAS-QGZVFWFLSA-N 1 1 281.334 3.429 20 30 CGEDMO COC[C@]1(C)CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000381367459 336060403 /nfs/dbraw/zinc/06/04/03/336060403.db2.gz LPTTUXIVQKMCFP-OAHLLOKOSA-N 1 1 252.402 3.065 20 30 CGEDMO C=C(CC)C[N@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000382022995 336080394 /nfs/dbraw/zinc/08/03/94/336080394.db2.gz YTFHWPMRFKJESA-RTBURBONSA-N 1 1 284.447 3.407 20 30 CGEDMO C=C(CC)C[N@@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000382022995 336080396 /nfs/dbraw/zinc/08/03/96/336080396.db2.gz YTFHWPMRFKJESA-RTBURBONSA-N 1 1 284.447 3.407 20 30 CGEDMO C[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000581728960 336138980 /nfs/dbraw/zinc/13/89/80/336138980.db2.gz CMDOYZUECMULKU-FZMZJTMJSA-N 1 1 273.336 3.087 20 30 CGEDMO C[C@@H](C[N@@H+](C)Cc1ccc(CC#N)cc1)c1nccs1 ZINC000344341789 533742640 /nfs/dbraw/zinc/74/26/40/533742640.db2.gz YURLZHOPSWJMCN-ZDUSSCGKSA-N 1 1 285.416 3.445 20 30 CGEDMO Cc1cc(Cl)ccc1CN1CC[NH+](CCCC#N)CC1 ZINC000352545708 533778686 /nfs/dbraw/zinc/77/86/86/533778686.db2.gz ZEGNVOZHJYWUQH-UHFFFAOYSA-N 1 1 291.826 3.070 20 30 CGEDMO C[C@H]([NH2+]CCN1CCC(C)CC1)c1ccc(C#N)cc1F ZINC000358579637 533856539 /nfs/dbraw/zinc/85/65/39/533856539.db2.gz XASUFGUIIFSAHO-AWEZNQCLSA-N 1 1 289.398 3.080 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1c(F)cncc1F ZINC000353222654 533917161 /nfs/dbraw/zinc/91/71/61/533917161.db2.gz UXDHSONOCKNVNS-NSHDSACASA-N 1 1 287.313 3.277 20 30 CGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ccc(C#N)nc2)C1 ZINC000359506014 534135093 /nfs/dbraw/zinc/13/50/93/534135093.db2.gz IEPQMEBBDQFUKS-KDOFPFPSSA-N 1 1 292.386 3.201 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CCC1 ZINC000189821045 534592462 /nfs/dbraw/zinc/59/24/62/534592462.db2.gz KQVJBKMFFHPLAF-IRXDYDNUSA-N 1 1 298.430 3.294 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCOCC3(CCC3)C2)c(Cl)c1 ZINC000439438505 534780173 /nfs/dbraw/zinc/78/01/73/534780173.db2.gz KGUKSFOBBQBNME-UHFFFAOYSA-N 1 1 290.794 3.214 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCOCC3(CCC3)C2)c(Cl)c1 ZINC000439438505 534780175 /nfs/dbraw/zinc/78/01/75/534780175.db2.gz KGUKSFOBBQBNME-UHFFFAOYSA-N 1 1 290.794 3.214 20 30 CGEDMO C[C@@H]1C[C@H](Nc2cccc(Cl)c2C#N)CC[N@H+]1C ZINC000157960538 525449682 /nfs/dbraw/zinc/44/96/82/525449682.db2.gz URCSPFBKWAXKFN-GHMZBOCLSA-N 1 1 263.772 3.106 20 30 CGEDMO Cc1cnc([C@H](C)[NH2+]Cc2ccc(F)c(C#N)c2)s1 ZINC000185028537 526159383 /nfs/dbraw/zinc/15/93/83/526159383.db2.gz ZPBAARBYRYDZRX-JTQLQIEISA-N 1 1 275.352 3.313 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)CC[C@@H]1CCCCO1 ZINC000347784575 526325778 /nfs/dbraw/zinc/32/57/78/526325778.db2.gz AVWSOCXQXINGAT-HNNXBMFYSA-N 1 1 263.381 3.269 20 30 CGEDMO C=CC[N@H+](C[C@H](O)COc1cc(C)ccc1Cl)C1CC1 ZINC000347542424 526330007 /nfs/dbraw/zinc/33/00/07/526330007.db2.gz OSRDXFDJPMZNPS-AWEZNQCLSA-N 1 1 295.810 3.039 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@H](SCC)C1 ZINC000350898409 526520549 /nfs/dbraw/zinc/52/05/49/526520549.db2.gz VXBJTIBVFPBBGY-HNNXBMFYSA-N 1 1 298.496 3.019 20 30 CGEDMO C=C(C)CN1CCC([NH2+]Cc2ccccc2OCC)CC1 ZINC000106246105 526604298 /nfs/dbraw/zinc/60/42/98/526604298.db2.gz OCMHDAFVPZDJGJ-UHFFFAOYSA-N 1 1 288.435 3.215 20 30 CGEDMO C=CC[C@H](CC)NC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000347709409 527151385 /nfs/dbraw/zinc/15/13/85/527151385.db2.gz UIXFCPGBVUKGRO-CVEARBPZSA-N 1 1 295.471 3.295 20 30 CGEDMO CC[N@H+]1C[C@H](C)N(Cc2ccc(C#N)cc2Cl)C[C@@H]1C ZINC000439467174 527971638 /nfs/dbraw/zinc/97/16/38/527971638.db2.gz YHZMPGCMVZNBPC-STQMWFEESA-N 1 1 291.826 3.126 20 30 CGEDMO CCC[NH+](CCC)CCCN[C@H]1CCC[C@H](C#N)C1 ZINC000192815126 528060358 /nfs/dbraw/zinc/06/03/58/528060358.db2.gz WLKRPLSPCUDJBP-HOTGVXAUSA-N 1 1 265.445 3.170 20 30 CGEDMO CCC[N@H+]1CC[C@H](CN[C@H](C)c2ccc(C#N)cc2F)C1 ZINC000358581576 528261324 /nfs/dbraw/zinc/26/13/24/528261324.db2.gz YUYKZPJPWKCZER-UKRRQHHQSA-N 1 1 289.398 3.080 20 30 CGEDMO CC[N@H+](CCSCc1ccccc1)C[C@H](C)C#N ZINC000192561632 528585117 /nfs/dbraw/zinc/58/51/17/528585117.db2.gz WWNZBFGEVYIWAQ-CQSZACIVSA-N 1 1 262.422 3.401 20 30 CGEDMO CC[N@@H+](CCSCc1ccccc1)C[C@H](C)C#N ZINC000192561632 528585122 /nfs/dbraw/zinc/58/51/22/528585122.db2.gz WWNZBFGEVYIWAQ-CQSZACIVSA-N 1 1 262.422 3.401 20 30 CGEDMO CCC(C)(C)[C@H]1CCC[N@H+]1Cc1nc(C#N)cs1 ZINC000356112712 528601789 /nfs/dbraw/zinc/60/17/89/528601789.db2.gz PAGUJIQVDKSEMR-GFCCVEGCSA-N 1 1 263.410 3.415 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000740859861 571886356 /nfs/dbraw/zinc/88/63/56/571886356.db2.gz NQDKONKUUYTIEM-UONOGXRCSA-N 1 1 280.375 3.110 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000725799459 572407319 /nfs/dbraw/zinc/40/73/19/572407319.db2.gz UZHRHSPPSUTVJP-GJZGRUSLSA-N 1 1 294.439 3.426 20 30 CGEDMO CCCCCCCC[N@@H+](C)CC(=O)NC(C)(C)C ZINC000740873496 572463821 /nfs/dbraw/zinc/46/38/21/572463821.db2.gz FWHNPRLYIBBYEC-UHFFFAOYSA-N 1 1 256.434 3.193 20 30 CGEDMO CCCCCCNC(=O)[C@@H]1CCC[N@@H+](CCCCC#N)C1 ZINC000726598679 572587899 /nfs/dbraw/zinc/58/78/99/572587899.db2.gz DJAWOMFAUNZEDE-MRXNPFEDSA-N 1 1 293.455 3.089 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCC1=NNC1CCCC1 ZINC000734365625 572648858 /nfs/dbraw/zinc/64/88/58/572648858.db2.gz NTFSNLHVABEXQO-HNNXBMFYSA-N 1 1 285.435 3.417 20 30 CGEDMO C=CCCCOC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000735536177 572728634 /nfs/dbraw/zinc/72/86/34/572728634.db2.gz NDTYGJJEJIHESX-MRXNPFEDSA-N 1 1 273.376 3.160 20 30 CGEDMO C=CCCCOC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000735536177 572728639 /nfs/dbraw/zinc/72/86/39/572728639.db2.gz NDTYGJJEJIHESX-MRXNPFEDSA-N 1 1 273.376 3.160 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)c(Br)c1)C(C)C ZINC000746132755 572855904 /nfs/dbraw/zinc/85/59/04/572855904.db2.gz HDKOPBHJNNOOJO-UHFFFAOYSA-N 1 1 284.172 3.432 20 30 CGEDMO C#CC[N@@H+](CC)Cc1ccc(Br)cc1F ZINC000746457554 572872206 /nfs/dbraw/zinc/87/22/06/572872206.db2.gz HVXGLJRXWUVQOJ-UHFFFAOYSA-N 1 1 270.145 3.043 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccc(Br)cc1F ZINC000746457554 572872208 /nfs/dbraw/zinc/87/22/08/572872208.db2.gz HVXGLJRXWUVQOJ-UHFFFAOYSA-N 1 1 270.145 3.043 20 30 CGEDMO CCCCCCCC(=O)NC[C@@H]1CCC[N@@H+](CC)C1 ZINC000746525614 572876435 /nfs/dbraw/zinc/87/64/35/572876435.db2.gz UJPWTHBNTQVOHQ-HNNXBMFYSA-N 1 1 268.445 3.195 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCNc1nc2ccccc2cc1C#N ZINC000750016351 573074709 /nfs/dbraw/zinc/07/47/09/573074709.db2.gz UHHVBZGCFGFGMJ-CQSZACIVSA-N 1 1 294.402 3.393 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H]2C[N@@H+](C(C)C)C[C@H]2CC1 ZINC000946714450 613242470 /nfs/dbraw/zinc/24/24/70/613242470.db2.gz WCDSPRQZIQHEMO-IYBDPMFKSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)C[C@H]2CC[C@@H](C)C2)CC1 ZINC000981783063 613252815 /nfs/dbraw/zinc/25/28/15/613252815.db2.gz DVIRMVWKCWZUGN-SJORKVTESA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2C[C@H]2CC)CC1 ZINC000948797094 613256476 /nfs/dbraw/zinc/25/64/76/613256476.db2.gz ZDQKZAWGUVHTTD-IXDOHACOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C2CC(C)(C)C2)C1 ZINC000965989952 613268442 /nfs/dbraw/zinc/26/84/42/613268442.db2.gz KTYXWXQRYCFOIV-HOCLYGCPSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C2(F)CCCC2)C1 ZINC000967063472 613268641 /nfs/dbraw/zinc/26/86/41/613268641.db2.gz RDWOJISIZJZVJC-GJZGRUSLSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)CC2(C)CCCC2)C1 ZINC000971466385 613288133 /nfs/dbraw/zinc/28/81/33/613288133.db2.gz UQESZJGUQQPCPT-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CCCC2(CN(C(=O)C3(CC)CCC3)C2)C1 ZINC000981948696 613305019 /nfs/dbraw/zinc/30/50/19/613305019.db2.gz NJDPKVZARAOKRK-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@]2(C)C=CCC2)CC1 ZINC000948680399 613314353 /nfs/dbraw/zinc/31/43/53/613314353.db2.gz HPIFTQJVTOKIEQ-AEFFLSMTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC2(C)C)CC1 ZINC000948684200 613314618 /nfs/dbraw/zinc/31/46/18/613314618.db2.gz JCEVWDDZUGGTJM-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)c2cocc2C)CC1 ZINC000948688585 613314954 /nfs/dbraw/zinc/31/49/54/613314954.db2.gz MMPYEVUUBFZIQT-HNNXBMFYSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)c2ccccc2C2(C)CC2)CC1 ZINC000950457393 613321543 /nfs/dbraw/zinc/32/15/43/613321543.db2.gz JTYVJJDMUDREPX-UHFFFAOYSA-N 1 1 298.430 3.072 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2(C)CC=CC2)C(C)(C)C1 ZINC000941002285 613326935 /nfs/dbraw/zinc/32/69/35/613326935.db2.gz GXNSBSCSEGVBEN-OAHLLOKOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)CC2CCCCC2)[C@H](C)C1 ZINC000941770748 613327443 /nfs/dbraw/zinc/32/74/43/613327443.db2.gz AYJZIMSHNODAME-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C2CCC(=C)CC2)[C@H](C)C1 ZINC000942601094 613334893 /nfs/dbraw/zinc/33/48/93/613334893.db2.gz ZQBNIGJFBIMYMR-WBVHZDCISA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cccc(C)c2)C[C@H]1C ZINC000947021414 613336205 /nfs/dbraw/zinc/33/62/05/613336205.db2.gz OBSAEQGJWIBATQ-WBVHZDCISA-N 1 1 286.419 3.154 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](NC(=O)C2C(C)(C)C2(C)C)C(C)(C)C1 ZINC000972998922 613341220 /nfs/dbraw/zinc/34/12/20/613341220.db2.gz PWTXZJOQBWSBKU-ZDUSSCGKSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCN(C(=O)C2(C)CCCCC2)C1 ZINC000972232942 613369578 /nfs/dbraw/zinc/36/95/78/613369578.db2.gz VKDZKWFJJGXBBG-AWEZNQCLSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCN(C(=O)C2(C)CCCCC2)C1 ZINC000972232942 613369579 /nfs/dbraw/zinc/36/95/79/613369579.db2.gz VKDZKWFJJGXBBG-AWEZNQCLSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C1CCCC1 ZINC000968729442 613372732 /nfs/dbraw/zinc/37/27/32/613372732.db2.gz FWSBCEBRDLSNBB-OAHLLOKOSA-N 1 1 298.858 3.290 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)C1CCCC1 ZINC000968729442 613372733 /nfs/dbraw/zinc/37/27/33/613372733.db2.gz FWSBCEBRDLSNBB-OAHLLOKOSA-N 1 1 298.858 3.290 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)C(C)C)C1 ZINC000963255705 613374293 /nfs/dbraw/zinc/37/42/93/613374293.db2.gz ZTMZKBMCTKLXIO-LSDHHAIUSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC2CCCC2)C[C@H]1C ZINC000947014502 613376425 /nfs/dbraw/zinc/37/64/25/613376425.db2.gz WKNLAELMQYJPBP-UKRRQHHQSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC2CCCC2)C[C@H]1C ZINC000947014502 613376426 /nfs/dbraw/zinc/37/64/26/613376426.db2.gz WKNLAELMQYJPBP-UKRRQHHQSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCF)[C@@H](C)C2)CC1 ZINC000947690161 613410114 /nfs/dbraw/zinc/41/01/14/613410114.db2.gz RIZMVWVKDUFHPD-GOEBONIOSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CCC)C1 ZINC000963341781 613432420 /nfs/dbraw/zinc/43/24/20/613432420.db2.gz YVYRXSODRLHKNU-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)CC2CC(C)(C)C2)C1 ZINC000972078090 613434404 /nfs/dbraw/zinc/43/44/04/613434404.db2.gz CMRVJEXBDSUJPA-OAHLLOKOSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)C2(CC)CCCC2)CC1 ZINC000983454933 613492013 /nfs/dbraw/zinc/49/20/13/613492013.db2.gz UXQPBIPILVLVNL-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C=C(C)C)C1 ZINC000963248353 613501725 /nfs/dbraw/zinc/50/17/25/613501725.db2.gz BEPOHYWRROXAEJ-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[C@H]([N@@H+](C)CC2CCCC2)C1 ZINC000972246252 613503947 /nfs/dbraw/zinc/50/39/47/613503947.db2.gz OTKCOFCQSCSRJL-FUHWJXTLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)C2CCC2)[C@H](C)C1 ZINC000942535803 613518823 /nfs/dbraw/zinc/51/88/23/613518823.db2.gz ONEZYAVSQDMHBL-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC2(C)C)C(C)(C)C1 ZINC000940965111 613522757 /nfs/dbraw/zinc/52/27/57/613522757.db2.gz JWLATVIGIQJYNM-HUUCEWRRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2(C)CCCCC2)C1 ZINC000968190704 613530708 /nfs/dbraw/zinc/53/07/08/613530708.db2.gz LNOUEGONGQCOAO-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2CCCCC2)C[C@H]1C ZINC000947005716 613535112 /nfs/dbraw/zinc/53/51/12/613535112.db2.gz SNESGIWLFKDCAL-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)cs2)C[C@H]1C ZINC000947272863 613537706 /nfs/dbraw/zinc/53/77/06/613537706.db2.gz ZAPMRNWZKLLJAT-KGLIPLIRSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccoc2Cl)C[C@@H]1C ZINC000947248186 613539623 /nfs/dbraw/zinc/53/96/23/613539623.db2.gz GECXLTJYFJKQEZ-RYUDHWBXSA-N 1 1 296.798 3.092 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccoc2CC)C[C@H]1C ZINC000947264890 613539831 /nfs/dbraw/zinc/53/98/31/613539831.db2.gz ABWUSSMAGZBKTM-KGLIPLIRSA-N 1 1 290.407 3.001 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](NC(=O)CC2CCCCC2)C(C)(C)C1 ZINC000972788536 613543416 /nfs/dbraw/zinc/54/34/16/613543416.db2.gz IPBCSMSNVWVWGL-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C2CCCC2)C(C)(C)C1 ZINC000977452379 613544809 /nfs/dbraw/zinc/54/48/09/613544809.db2.gz SPXDBRVIZBROPY-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@H+]1C[C@H](NC(=O)C2=CCCCCC2)C(C)(C)C1 ZINC000974506517 613553564 /nfs/dbraw/zinc/55/35/64/613553564.db2.gz NUCIADWFNQBZTQ-INIZCTEOSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2ccc(C)s2)C(C)(C)C1 ZINC000972758813 613555451 /nfs/dbraw/zinc/55/54/51/613555451.db2.gz XQUZIYHEKJIJHA-AWEZNQCLSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2cscc2C)C(C)(C)C1 ZINC000973012572 613556290 /nfs/dbraw/zinc/55/62/90/613556290.db2.gz LCUSBPWCVSJANL-AWEZNQCLSA-N 1 1 292.448 3.073 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)[C@H]2CC[C@H](C(C)C)CC2)CC1 ZINC000982763108 613691328 /nfs/dbraw/zinc/69/13/28/613691328.db2.gz UTPMHSLCYLMVCU-QAQDUYKDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)c2c(C)coc2C)CC1 ZINC000948346889 613701853 /nfs/dbraw/zinc/70/18/53/613701853.db2.gz YNKZOHCSAICPGP-OAHLLOKOSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000963248913 613706581 /nfs/dbraw/zinc/70/65/81/613706581.db2.gz FEKHIMALRQYGEU-MSOLQXFVSA-N 1 1 298.430 3.189 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)C2CCC(=C)CC2)C(C)(C)C1 ZINC000940999505 613741593 /nfs/dbraw/zinc/74/15/93/613741593.db2.gz JJVIGMSEIAUWIF-MRXNPFEDSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)c(C)s2)C[C@@H]1C ZINC000948013219 613748889 /nfs/dbraw/zinc/74/88/89/613748889.db2.gz UMZZVAODCVKCQY-GXTWGEPZSA-N 1 1 292.448 3.134 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)c2cscc2Cl)[C@H](C)C1 ZINC000942155697 613760138 /nfs/dbraw/zinc/76/01/38/613760138.db2.gz KEAKXMMFZRDFOA-ZWNOBZJWSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)CC2CCCCCC2)C1 ZINC000968365273 613771705 /nfs/dbraw/zinc/77/17/05/613771705.db2.gz MCQIIEFGZQBCPA-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)c2ccc3occc3c2)[C@@H](C)C1 ZINC000942073592 613791315 /nfs/dbraw/zinc/79/13/15/613791315.db2.gz QIWAXJGDCVROIA-BBRMVZONSA-N 1 1 298.386 3.059 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)c2ccsc2Cl)[C@@H](C)C1 ZINC000943332982 613794393 /nfs/dbraw/zinc/79/43/93/613794393.db2.gz GTHLWVVVLVMFOA-JQWIXIFHSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccsc2Cl)C[C@@H]1C ZINC000947779394 613794653 /nfs/dbraw/zinc/79/46/53/613794653.db2.gz OZOAPZVOADQNPR-QWRGUYRKSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2sccc2CC)C[C@@H]1C ZINC000948067489 613801893 /nfs/dbraw/zinc/80/18/93/613801893.db2.gz XITOJQWFWSFXRT-JSGCOSHPSA-N 1 1 292.448 3.079 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2coc3ccccc23)C(C)(C)C1 ZINC000977653871 613811902 /nfs/dbraw/zinc/81/19/02/613811902.db2.gz DENQRJWVMSRFDN-MRXNPFEDSA-N 1 1 298.386 3.059 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccc(C)cc3)C[C@H]2C1 ZINC000980215500 613820315 /nfs/dbraw/zinc/82/03/15/613820315.db2.gz LKRPNIKPRJGKSL-OKZBNKHCSA-N 1 1 298.430 3.011 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccccc3C)C[C@H]2C1 ZINC000979483939 613820748 /nfs/dbraw/zinc/82/07/48/613820748.db2.gz YXWYRZIIIPXOQG-ULQDDVLXSA-N 1 1 298.430 3.011 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCC2CC2)C1 ZINC001021549095 618034880 /nfs/dbraw/zinc/03/48/80/618034880.db2.gz WIHCAUSMDSGOQJ-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C#C[C@H]([NH2+]Cc1cscc1C(F)(F)F)[C@@H]1CCCO1 ZINC000811491126 617627537 /nfs/dbraw/zinc/62/75/37/617627537.db2.gz AAVDFVPLSYZWHD-RYUDHWBXSA-N 1 1 289.322 3.037 20 30 CGEDMO C=CC[C@@H]1CCN1C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000890562637 617645826 /nfs/dbraw/zinc/64/58/26/617645826.db2.gz CQJFMKHBSOCFAX-ZWKOTPCHSA-N 1 1 298.430 3.076 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccccc2OC)no1 ZINC000899993381 620742720 /nfs/dbraw/zinc/74/27/20/620742720.db2.gz FGYRAUSWSNOYAE-LBPRGKRZSA-N 1 1 273.336 3.101 20 30 CGEDMO CSCC1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000932586988 617844884 /nfs/dbraw/zinc/84/48/84/617844884.db2.gz UUDSZPBDZHSFSZ-UHFFFAOYSA-N 1 1 278.396 3.272 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccccc2)C1 ZINC001021505104 618015421 /nfs/dbraw/zinc/01/54/21/618015421.db2.gz ILBZTFJPKINNJH-ZWKOTPCHSA-N 1 1 298.430 3.189 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC(C)(C)C)C1 ZINC001021522735 618022269 /nfs/dbraw/zinc/02/22/69/618022269.db2.gz ITOHENAGKSHCGI-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO Cc1c(CO[NH+]=C(N)CCC(C)C)cccc1[N+](=O)[O-] ZINC000049322567 618060534 /nfs/dbraw/zinc/06/05/34/618060534.db2.gz WPSPYPDYBPZTDT-UHFFFAOYSA-N 1 1 279.340 3.128 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933080222 618140094 /nfs/dbraw/zinc/14/00/94/618140094.db2.gz BHDNFSUZEOZYCZ-LJQANCHMSA-N 1 1 283.415 3.177 20 30 CGEDMO Cc1csc(C[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)n1 ZINC000933128814 618159661 /nfs/dbraw/zinc/15/96/61/618159661.db2.gz XGGNLHFHPCWDLE-INIZCTEOSA-N 1 1 297.427 3.388 20 30 CGEDMO C#CCC1([NH2+]Cc2nc(-c3ccc(CC)cc3)no2)CCC1 ZINC000933302083 618197313 /nfs/dbraw/zinc/19/73/13/618197313.db2.gz KWUYQPLLVCCECY-UHFFFAOYSA-N 1 1 295.386 3.335 20 30 CGEDMO CC(C)[N@H+](C)CC1CCN(Cc2csc(C#N)c2)CC1 ZINC000891746404 618273832 /nfs/dbraw/zinc/27/38/32/618273832.db2.gz UWYWNLLSSLIRGE-UHFFFAOYSA-N 1 1 291.464 3.172 20 30 CGEDMO CC(C)[N@@H+](C)CC1CCN(Cc2csc(C#N)c2)CC1 ZINC000891746404 618273846 /nfs/dbraw/zinc/27/38/46/618273846.db2.gz UWYWNLLSSLIRGE-UHFFFAOYSA-N 1 1 291.464 3.172 20 30 CGEDMO CO[C@@H](C[N@@H+](C)Cc1cc(C#N)cs1)C1CCCC1 ZINC000933770749 618320759 /nfs/dbraw/zinc/32/07/59/618320759.db2.gz MNPRNFAFAUQRSL-HNNXBMFYSA-N 1 1 278.421 3.257 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cnn(C)c1C1CC1 ZINC000892068700 618516367 /nfs/dbraw/zinc/51/63/67/618516367.db2.gz BTFIPOFNTQUQRY-UHFFFAOYSA-N 1 1 261.413 3.476 20 30 CGEDMO C[C@@H]1CSCCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000934300461 618583745 /nfs/dbraw/zinc/58/37/45/618583745.db2.gz PITZPBVEZKVKRC-LLVKDONJSA-N 1 1 264.369 3.025 20 30 CGEDMO C[C@@H]1CSCCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000934300461 618583750 /nfs/dbraw/zinc/58/37/50/618583750.db2.gz PITZPBVEZKVKRC-LLVKDONJSA-N 1 1 264.369 3.025 20 30 CGEDMO COc1ccc(C[N@H+](C[C@@H](C)C#N)C2CC2)c(C)c1 ZINC000892194965 618584852 /nfs/dbraw/zinc/58/48/52/618584852.db2.gz KJMUUMMZNUPGQO-LBPRGKRZSA-N 1 1 258.365 3.128 20 30 CGEDMO COc1ccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)c(C)c1 ZINC000892194965 618584859 /nfs/dbraw/zinc/58/48/59/618584859.db2.gz KJMUUMMZNUPGQO-LBPRGKRZSA-N 1 1 258.365 3.128 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1CC[C@@H]1Sc2ccccc2NC1=O ZINC000934460583 618623253 /nfs/dbraw/zinc/62/32/53/618623253.db2.gz QTGSZXPGIYGCDA-DOMZBBRYSA-N 1 1 288.416 3.140 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000934460647 618623344 /nfs/dbraw/zinc/62/33/44/618623344.db2.gz IMSXQZLAUXZNNB-ZWKOTPCHSA-N 1 1 282.387 3.077 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000934462646 618624755 /nfs/dbraw/zinc/62/47/55/618624755.db2.gz ZKIDLQOGZCAFFI-LLVKDONJSA-N 1 1 266.728 3.399 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000934462646 618624759 /nfs/dbraw/zinc/62/47/59/618624759.db2.gz ZKIDLQOGZCAFFI-LLVKDONJSA-N 1 1 266.728 3.399 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1nc2sc(C)c(C)c2c(N)n1 ZINC000934462625 618624863 /nfs/dbraw/zinc/62/48/63/618624863.db2.gz YUGAPUKWIAKLKQ-NSHDSACASA-N 1 1 288.420 3.041 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1nc2sc(C)c(C)c2c(N)n1 ZINC000934462625 618624867 /nfs/dbraw/zinc/62/48/67/618624867.db2.gz YUGAPUKWIAKLKQ-NSHDSACASA-N 1 1 288.420 3.041 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000934465684 618625317 /nfs/dbraw/zinc/62/53/17/618625317.db2.gz NAJUNDAOZPFVCD-ZDUSSCGKSA-N 1 1 287.338 3.335 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1Cc1nc(-c2ccc(F)c(C)c2)no1 ZINC000934465684 618625320 /nfs/dbraw/zinc/62/53/20/618625320.db2.gz NAJUNDAOZPFVCD-ZDUSSCGKSA-N 1 1 287.338 3.335 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000934775147 618687932 /nfs/dbraw/zinc/68/79/32/618687932.db2.gz WVHZBSDFJVSAKW-OCCSQVGLSA-N 1 1 252.427 3.001 20 30 CGEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)Cc2cccc(C)c2)c1 ZINC000052130466 618694249 /nfs/dbraw/zinc/69/42/49/618694249.db2.gz FFXKQKHBBLAMHA-UHFFFAOYSA-N 1 1 292.382 3.047 20 30 CGEDMO C#Cc1cccc(NC(=O)C[N@H+](C)Cc2cccc(C)c2)c1 ZINC000052130466 618694254 /nfs/dbraw/zinc/69/42/54/618694254.db2.gz FFXKQKHBBLAMHA-UHFFFAOYSA-N 1 1 292.382 3.047 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](CC)C2)cc1 ZINC000245566464 618716914 /nfs/dbraw/zinc/71/69/14/618716914.db2.gz SUIHQASRABRZHC-NVXWUHKLSA-N 1 1 287.403 3.088 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2C[C@@H](C)O[C@H](CC)C2)cc1 ZINC000245566464 618716917 /nfs/dbraw/zinc/71/69/17/618716917.db2.gz SUIHQASRABRZHC-NVXWUHKLSA-N 1 1 287.403 3.088 20 30 CGEDMO C[C@@H]1[C@@H](C)CC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000177867179 618846932 /nfs/dbraw/zinc/84/69/32/618846932.db2.gz OYWTZCVDYQKFKT-UONOGXRCSA-N 1 1 258.365 3.057 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCOCC23CCCCC3)CC1 ZINC000930654343 619047427 /nfs/dbraw/zinc/04/74/27/619047427.db2.gz MZTVSOAFGXRGKZ-UHFFFAOYSA-N 1 1 276.424 3.351 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)C2(C3CCC3)CCC2)C1 ZINC001008090366 619051345 /nfs/dbraw/zinc/05/13/45/619051345.db2.gz UEDVALILOYPMCT-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO COc1ccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)c(C)c1 ZINC000893526787 619203625 /nfs/dbraw/zinc/20/36/25/619203625.db2.gz LCDYXQPTFTUEDT-INIZCTEOSA-N 1 1 258.365 3.129 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@@](C)(C#N)C2)c(C)c1 ZINC000893526787 619203627 /nfs/dbraw/zinc/20/36/27/619203627.db2.gz LCDYXQPTFTUEDT-INIZCTEOSA-N 1 1 258.365 3.129 20 30 CGEDMO CC[C@@H]1CCC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000036169542 619267369 /nfs/dbraw/zinc/26/73/69/619267369.db2.gz GYXLCSHWNIWLRA-OAHLLOKOSA-N 1 1 272.392 3.449 20 30 CGEDMO Cc1cc[nH+]c(N)c1CNc1cccc(OCCCC#N)c1 ZINC000894104303 619375393 /nfs/dbraw/zinc/37/53/93/619375393.db2.gz UKXXLMLUBXDTPJ-UHFFFAOYSA-N 1 1 296.374 3.267 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cn1)C1CCCCCCC1 ZINC000788012367 619425915 /nfs/dbraw/zinc/42/59/15/619425915.db2.gz JPZPJICJZXZGTH-UHFFFAOYSA-N 1 1 257.381 3.498 20 30 CGEDMO CO[C@@H]1CC[C@H](C)[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000879324407 619493587 /nfs/dbraw/zinc/49/35/87/619493587.db2.gz HPBKHZAEEQICEK-LSDHHAIUSA-N 1 1 264.413 3.350 20 30 CGEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1csc(C#N)c1 ZINC000894498839 619554034 /nfs/dbraw/zinc/55/40/34/619554034.db2.gz LSZVVLILJPQSCK-CQSZACIVSA-N 1 1 286.404 3.297 20 30 CGEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1csc(C#N)c1 ZINC000894498839 619554037 /nfs/dbraw/zinc/55/40/37/619554037.db2.gz LSZVVLILJPQSCK-CQSZACIVSA-N 1 1 286.404 3.297 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cs1 ZINC000894553628 619574605 /nfs/dbraw/zinc/57/46/05/619574605.db2.gz RSOTXQDMZYSCBC-LSDHHAIUSA-N 1 1 288.416 3.153 20 30 CGEDMO N#Cc1cc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cs1 ZINC000894553628 619574610 /nfs/dbraw/zinc/57/46/10/619574610.db2.gz RSOTXQDMZYSCBC-LSDHHAIUSA-N 1 1 288.416 3.153 20 30 CGEDMO C#CC[N@@H+](CC#CC)C[C@@H](OC(C)C)c1ccccc1 ZINC000794384420 619742797 /nfs/dbraw/zinc/74/27/97/619742797.db2.gz GTUBKYXXTBNLRR-GOSISDBHSA-N 1 1 269.388 3.111 20 30 CGEDMO C#CC[N@H+](CC#CC)C[C@@H](OC(C)C)c1ccccc1 ZINC000794384420 619742800 /nfs/dbraw/zinc/74/28/00/619742800.db2.gz GTUBKYXXTBNLRR-GOSISDBHSA-N 1 1 269.388 3.111 20 30 CGEDMO N#CC1(C[NH2+]Cc2nccc3c2CCCC3)CCCC1 ZINC000895140110 619751145 /nfs/dbraw/zinc/75/11/45/619751145.db2.gz BIYQDLCKBFPAAG-UHFFFAOYSA-N 1 1 269.392 3.134 20 30 CGEDMO CSCCON=C1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000794573863 619768032 /nfs/dbraw/zinc/76/80/32/619768032.db2.gz NOVLBXJSHRDMIK-ZDUSSCGKSA-N 1 1 278.421 3.016 20 30 CGEDMO CSCCON=C1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000794573862 619768541 /nfs/dbraw/zinc/76/85/41/619768541.db2.gz NOVLBXJSHRDMIK-CYBMUJFWSA-N 1 1 278.421 3.016 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cnc(CC(F)(F)F)s2)C1 ZINC000895202440 619779306 /nfs/dbraw/zinc/77/93/06/619779306.db2.gz OCXUDLZUJINUJC-SNVBAGLBSA-N 1 1 288.338 3.093 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2cnc3onc(C)c3c2)C1 ZINC000895250994 619791006 /nfs/dbraw/zinc/79/10/06/619791006.db2.gz RGKUDGKHEVTJCI-ZDUSSCGKSA-N 1 1 271.364 3.319 20 30 CGEDMO C=CC[N@H+](CC(C)C)C[C@H](O)c1ccc(F)cc1 ZINC000121282532 619792187 /nfs/dbraw/zinc/79/21/87/619792187.db2.gz BTTZJMCVSFQJRX-HNNXBMFYSA-N 1 1 251.345 3.003 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2nccc3c2CCCC3)C1 ZINC000895310956 619803089 /nfs/dbraw/zinc/80/30/89/619803089.db2.gz UCZRNQUEPXSKME-AWEZNQCLSA-N 1 1 269.392 3.086 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc(OCCOC)o2)C1 ZINC000895338932 619807287 /nfs/dbraw/zinc/80/72/87/619807287.db2.gz WBMZFBALOYNKNN-CQSZACIVSA-N 1 1 279.380 3.093 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000895388209 619819137 /nfs/dbraw/zinc/81/91/37/619819137.db2.gz HVWABELJNFYELO-SNVBAGLBSA-N 1 1 253.292 3.068 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000895388209 619819138 /nfs/dbraw/zinc/81/91/38/619819138.db2.gz HVWABELJNFYELO-SNVBAGLBSA-N 1 1 253.292 3.068 20 30 CGEDMO C=CCCCN(CC)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000895618981 619859696 /nfs/dbraw/zinc/85/96/96/619859696.db2.gz PHLWIGIVBSFTJA-HOTGVXAUSA-N 1 1 293.455 3.001 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000895842707 619893231 /nfs/dbraw/zinc/89/32/31/619893231.db2.gz FGAFNNNCFOIPQZ-AEFFLSMTSA-N 1 1 287.403 3.252 20 30 CGEDMO COCc1c(C)cc(C)c(C[N@@H+]2CCC[C@H](C#N)C2)c1C ZINC000896500665 620017660 /nfs/dbraw/zinc/01/76/60/620017660.db2.gz IXSBHNRWVXOZEC-MRXNPFEDSA-N 1 1 286.419 3.494 20 30 CGEDMO COCc1c(C)cc(C)c(C[N@H+]2CCC[C@H](C#N)C2)c1C ZINC000896500665 620017662 /nfs/dbraw/zinc/01/76/62/620017662.db2.gz IXSBHNRWVXOZEC-MRXNPFEDSA-N 1 1 286.419 3.494 20 30 CGEDMO CCc1c(C)[nH+]c2ccccc2c1N1CCO[C@@](C)(C#N)C1 ZINC000896858103 620078038 /nfs/dbraw/zinc/07/80/38/620078038.db2.gz VBABPVVYNIODGK-SFHVURJKSA-N 1 1 295.386 3.225 20 30 CGEDMO N#Cc1ccc([C@@H]2CN(c3cc[nH+]cc3Cl)CCO2)cc1 ZINC000896872000 620080678 /nfs/dbraw/zinc/08/06/78/620080678.db2.gz WGHCYRZCZJOOHH-INIZCTEOSA-N 1 1 299.761 3.185 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000897240829 620169220 /nfs/dbraw/zinc/16/92/20/620169220.db2.gz RLFPVKAJUIZAJV-ROUUACIJSA-N 1 1 298.430 3.294 20 30 CGEDMO C[C@H]1C/C(=C/c2c[nH+]c(N(C)C)n2C)C(=O)c2ccccc21 ZINC000840717683 620172813 /nfs/dbraw/zinc/17/28/13/620172813.db2.gz WPHCKTKUHAKQGB-IXJPEXDMSA-N 1 1 295.386 3.260 20 30 CGEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000897269965 620175756 /nfs/dbraw/zinc/17/57/56/620175756.db2.gz ULTPTYBFIQCVQU-HOCLYGCPSA-N 1 1 264.413 3.065 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@]2(C)CC=CCC2)CC1 ZINC000985450415 620191596 /nfs/dbraw/zinc/19/15/96/620191596.db2.gz MGLHUQIZLWATFC-SFHVURJKSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)[C@H]2CCC(C)=C(C)C2)CC1 ZINC000985448606 620191641 /nfs/dbraw/zinc/19/16/41/620191641.db2.gz DNDFUCWEFOUQHK-INIZCTEOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@@H]2C[C@]2(C)CC)CC1 ZINC000985727369 620232712 /nfs/dbraw/zinc/23/27/12/620232712.db2.gz MTJGKLFMJDAMRJ-HOCLYGCPSA-N 1 1 298.858 3.098 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000862443314 620299051 /nfs/dbraw/zinc/29/90/51/620299051.db2.gz OGCDGIRNLQWNAU-LLVKDONJSA-N 1 1 296.183 3.433 20 30 CGEDMO C[N@H+]1CCC(N=Nc2cc(Cl)ccn2)CC1(C)C ZINC000863104888 620326484 /nfs/dbraw/zinc/32/64/84/620326484.db2.gz HBXRFZRTGOXYBT-UHFFFAOYSA-N 1 1 266.776 3.007 20 30 CGEDMO C[N@H+]1CCC(N=Nc2ccnc(Cl)c2)CC1(C)C ZINC000863126481 620329928 /nfs/dbraw/zinc/32/99/28/620329928.db2.gz JTDNYJQIGQOLAI-UHFFFAOYSA-N 1 1 266.776 3.007 20 30 CGEDMO CC[C@@H]([NH2+]Cc1ccc(F)cn1)c1cccc(C#N)c1O ZINC000925284997 620354596 /nfs/dbraw/zinc/35/45/96/620354596.db2.gz KJFNLLTZNUQUKM-OAHLLOKOSA-N 1 1 285.322 3.039 20 30 CGEDMO C=CCCCCC[N@H+]1CCCC[C@H]1CN1CCCC1=O ZINC000785695403 620386635 /nfs/dbraw/zinc/38/66/35/620386635.db2.gz YTJCAZQXBPLRIM-INIZCTEOSA-N 1 1 278.440 3.210 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(Cl)cc1 ZINC000785997438 620393787 /nfs/dbraw/zinc/39/37/87/620393787.db2.gz OMHOHRPOJSXDLX-CABCVRRESA-N 1 1 265.784 3.414 20 30 CGEDMO COc1cc(C[N@H+](C)Cc2cc(C#N)cs2)ccc1C#N ZINC000897624794 620413028 /nfs/dbraw/zinc/41/30/28/620413028.db2.gz YCCOKHUIKISMOP-UHFFFAOYSA-N 1 1 297.383 3.132 20 30 CGEDMO COc1cc(C[N@@H+](C)Cc2cc(C#N)cs2)ccc1C#N ZINC000897624794 620413030 /nfs/dbraw/zinc/41/30/30/620413030.db2.gz YCCOKHUIKISMOP-UHFFFAOYSA-N 1 1 297.383 3.132 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)C2(CC)CCCCC2)CC1 ZINC000989722880 620522427 /nfs/dbraw/zinc/52/24/27/620522427.db2.gz PLYBLXRNIDADSF-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)C3CCCC3)CCC[C@@H]12 ZINC000989897449 620530155 /nfs/dbraw/zinc/53/01/55/620530155.db2.gz TUKNHFOPCJEVBY-GDBMZVCRSA-N 1 1 296.842 3.042 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)C3CCCC3)CCC[C@@H]12 ZINC000989897449 620530157 /nfs/dbraw/zinc/53/01/57/620530157.db2.gz TUKNHFOPCJEVBY-GDBMZVCRSA-N 1 1 296.842 3.042 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)c3ccccc3)CCC[C@H]12 ZINC000989916311 620531193 /nfs/dbraw/zinc/53/11/93/620531193.db2.gz SFAQBDGPHNZISY-PKOBYXMFSA-N 1 1 298.430 3.380 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)c3ccccc3C)CCC[C@H]12 ZINC000989922980 620531245 /nfs/dbraw/zinc/53/12/45/620531245.db2.gz SZMAKHXFAIDWNY-HKUYNNGSSA-N 1 1 298.430 3.298 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)C[C@H]3C=CCC3)CCC[C@@H]12 ZINC000989942754 620533022 /nfs/dbraw/zinc/53/30/22/620533022.db2.gz LWNTUHBIZSDWOZ-LZLYRXPVSA-N 1 1 288.435 3.032 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)C[C@H]3C=CCC3)CCC[C@H]12 ZINC000989942756 620533343 /nfs/dbraw/zinc/53/33/43/620533343.db2.gz LWNTUHBIZSDWOZ-XYJFISCASA-N 1 1 288.435 3.032 20 30 CGEDMO C=CC(C)(C)[NH2+]Cc1nc(C)c(Br)s1 ZINC000898460593 620589965 /nfs/dbraw/zinc/58/99/65/620589965.db2.gz PJRIBTDQZQQKBC-UHFFFAOYSA-N 1 1 275.215 3.268 20 30 CGEDMO Cn1nccc1N[NH+]=CC=C1N(C)c2ccccc2C1(C)C ZINC000901223205 620847201 /nfs/dbraw/zinc/84/72/01/620847201.db2.gz AANOTWBEXUBQHE-IJSAQSNKSA-N 1 1 295.390 3.129 20 30 CGEDMO CC[C@@H]([NH2+]Cc1nccs1)c1cccc(C#N)c1 ZINC000902759073 621429004 /nfs/dbraw/zinc/42/90/04/621429004.db2.gz ONNDJKLELPXTRD-CYBMUJFWSA-N 1 1 257.362 3.256 20 30 CGEDMO C=CC[C@@H]([NH2+][C@@H](C)c1cn(CCC)nn1)c1ccncc1 ZINC000902807350 621444942 /nfs/dbraw/zinc/44/49/42/621444942.db2.gz YFHWKZOPEDVDJC-DZGCQCFKSA-N 1 1 285.395 3.051 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CCC1)c1cnn(-c2ccccc2)c1 ZINC000903030471 621535488 /nfs/dbraw/zinc/53/54/88/621535488.db2.gz CKPRWDRRRKENLB-CQSZACIVSA-N 1 1 280.375 3.217 20 30 CGEDMO N#CC1(C[NH2+][C@H]2CCc3c2cc(F)cc3F)CCC1 ZINC000903032972 621535929 /nfs/dbraw/zinc/53/59/29/621535929.db2.gz NSFVASUWPFTASU-AWEZNQCLSA-N 1 1 262.303 3.236 20 30 CGEDMO COc1ncc([C@H](C)[NH2+]CC2(C#N)CCC2)cc1Cl ZINC000903034910 621536749 /nfs/dbraw/zinc/53/67/49/621536749.db2.gz FJKLRIOAJGVVHP-JTQLQIEISA-N 1 1 279.771 3.088 20 30 CGEDMO C[C@@H](N[C@H]1CC[N@H+](C2CCCCC2)C1)c1cc(C#N)ccn1 ZINC000903053203 621557467 /nfs/dbraw/zinc/55/74/67/621557467.db2.gz NISFCPPCLOPOJH-ZBFHGGJFSA-N 1 1 298.434 3.011 20 30 CGEDMO C=CCC[C@@H]([NH2+]Cc1cn(C)nn1)c1cccc(Cl)c1 ZINC000903148734 621611423 /nfs/dbraw/zinc/61/14/23/621611423.db2.gz VZBNTVCAOMQMMC-OAHLLOKOSA-N 1 1 290.798 3.266 20 30 CGEDMO COc1ccc([C@@H](C)[NH2+]Cc2nc(C#N)cs2)c(C)c1 ZINC000903262374 621647635 /nfs/dbraw/zinc/64/76/35/621647635.db2.gz DTRCQAUNOIBCPQ-LLVKDONJSA-N 1 1 287.388 3.183 20 30 CGEDMO CC[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(F)cc1O ZINC000903263410 621648302 /nfs/dbraw/zinc/64/83/02/621648302.db2.gz NAYZPDIHHRIWDE-GFCCVEGCSA-N 1 1 291.351 3.100 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(Cc2c(F)cccc2F)no1 ZINC000904536899 621931535 /nfs/dbraw/zinc/93/15/35/621931535.db2.gz GFNANVCXLPRKHJ-ZDUSSCGKSA-N 1 1 293.317 3.295 20 30 CGEDMO C[C@H]([NH2+]CCSCc1ccccc1C#N)c1ncco1 ZINC000924810083 622270170 /nfs/dbraw/zinc/27/01/70/622270170.db2.gz HNZIFLLFEPQKDG-LBPRGKRZSA-N 1 1 287.388 3.130 20 30 CGEDMO CC[C@@H]1CC[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000246465957 622428933 /nfs/dbraw/zinc/42/89/33/622428933.db2.gz OGSJSFHFMSIBDU-ZIAGYGMSSA-N 1 1 258.365 3.209 20 30 CGEDMO C=CCCC[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000172324789 623243773 /nfs/dbraw/zinc/24/37/73/623243773.db2.gz WMZSTNMTQLNRAP-UHFFFAOYSA-N 1 1 252.289 3.132 20 30 CGEDMO C#CCOc1ccc(C[NH2+]Cc2nc(C)c(C)s2)cc1 ZINC000174434710 623396097 /nfs/dbraw/zinc/39/60/97/623396097.db2.gz AEPJEQSGNMZGFQ-UHFFFAOYSA-N 1 1 286.400 3.062 20 30 CGEDMO C=C1CCC(C(=O)N[C@@]23CCC[C@H]2[N@@H+](C(C)C)CC3)CC1 ZINC000992153603 623452050 /nfs/dbraw/zinc/45/20/50/623452050.db2.gz PNBGMWJJRYXSJQ-SJLPKXTDSA-N 1 1 290.451 3.254 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3cc(C)cc(C)c3)CCC[C@@H]12 ZINC000992458606 623573200 /nfs/dbraw/zinc/57/32/00/623573200.db2.gz KSQOEZDYOPGEGJ-IEBWSBKVSA-N 1 1 298.430 3.216 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C)c2)[C@@H]1C ZINC000992987723 623768973 /nfs/dbraw/zinc/76/89/73/623768973.db2.gz QUNVWTHLLQQQKF-DOTOQJQBSA-N 1 1 286.419 3.154 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2)[C@H]1C ZINC000992985073 623769145 /nfs/dbraw/zinc/76/91/45/623769145.db2.gz WJGUMHIIODYXPR-NVXWUHKLSA-N 1 1 286.419 3.236 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C2CCCCC2)[C@@H]1C ZINC000992987748 623771705 /nfs/dbraw/zinc/77/17/05/623771705.db2.gz REXBPBHQYCDFII-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2cccs2)[C@H]1C ZINC000993004055 623785364 /nfs/dbraw/zinc/78/53/64/623785364.db2.gz DSXHCVMPVRGPDU-ZIAGYGMSSA-N 1 1 292.448 3.297 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cl)o2)[C@@H]1C ZINC000993032990 623800112 /nfs/dbraw/zinc/80/01/12/623800112.db2.gz DAONEJKUEMQLSW-RYUDHWBXSA-N 1 1 296.798 3.092 20 30 CGEDMO N#CCC[N@H+]1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000914789433 623861054 /nfs/dbraw/zinc/86/10/54/623861054.db2.gz UUBVBLHPKZXKQJ-CYBMUJFWSA-N 1 1 264.756 3.097 20 30 CGEDMO N#CCC[N@@H+]1CCC[C@@H]1COc1ccc(Cl)cc1 ZINC000914789433 623861055 /nfs/dbraw/zinc/86/10/55/623861055.db2.gz UUBVBLHPKZXKQJ-CYBMUJFWSA-N 1 1 264.756 3.097 20 30 CGEDMO CCc1ccccc1N[NH+]=Cc1ccc(N(C)CCO)cc1 ZINC000915051816 623890252 /nfs/dbraw/zinc/89/02/52/623890252.db2.gz TXPHHJNULSAYCO-UHFFFAOYSA-N 1 1 297.402 3.124 20 30 CGEDMO Cn1cccc1[C@@H]1CCC[N@H+]1CC1CCC(C#N)CC1 ZINC000929862629 623894796 /nfs/dbraw/zinc/89/47/96/623894796.db2.gz YJAWBILJCUOSOA-DQPZFDDXSA-N 1 1 271.408 3.492 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC)o2)[C@@H]1C ZINC000993483416 624052291 /nfs/dbraw/zinc/05/22/91/624052291.db2.gz JEAWBLJSILWSSL-DZGCQCFKSA-N 1 1 290.407 3.001 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2occc2Cl)[C@H]1C ZINC000993777628 624062033 /nfs/dbraw/zinc/06/20/33/624062033.db2.gz QXRJAEWXNIMRFR-YPMHNXCESA-N 1 1 296.798 3.092 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CCC[N@@H+](CC3CCC3)[C@H]2C)C1 ZINC000993786585 624063981 /nfs/dbraw/zinc/06/39/81/624063981.db2.gz GOZBBRONCDHLMV-HOCLYGCPSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)[C@@H]1C ZINC000994326303 624205215 /nfs/dbraw/zinc/20/52/15/624205215.db2.gz FOURZLFYLBTORO-DZGCQCFKSA-N 1 1 298.386 3.202 20 30 CGEDMO C=CC[N@@H+](Cc1cn2ccccc2c1C#N)C(C)C ZINC000917069784 624233997 /nfs/dbraw/zinc/23/39/97/624233997.db2.gz VPWZQSRZZOFAIV-UHFFFAOYSA-N 1 1 253.349 3.207 20 30 CGEDMO C=CC[N@@H+](CC(=O)N[C@@H](C)c1ccc(C)c(C)c1)C(C)C ZINC000917071551 624234314 /nfs/dbraw/zinc/23/43/14/624234314.db2.gz VOYWROJNDVTFIS-INIZCTEOSA-N 1 1 288.435 3.377 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1Cc1cccc(OC)c1 ZINC000917086641 624238565 /nfs/dbraw/zinc/23/85/65/624238565.db2.gz GVNNSPRBZPQIJY-AWEZNQCLSA-N 1 1 265.784 3.455 20 30 CGEDMO C[C@@H]1C[N@H+](CCCOc2ccc(C#N)cc2)C[C@H](C)S1 ZINC000070383298 625002282 /nfs/dbraw/zinc/00/22/82/625002282.db2.gz JPJFZAFCRJEZNJ-OKILXGFUSA-N 1 1 290.432 3.153 20 30 CGEDMO C=CC[N@H+](CC1CCCCC1)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000183334082 625063635 /nfs/dbraw/zinc/06/36/35/625063635.db2.gz TZIODNVRPVPTML-UHFFFAOYSA-N 1 1 292.383 3.126 20 30 CGEDMO C=CC[N@@H+](CC1CCCCC1)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000183334082 625063638 /nfs/dbraw/zinc/06/36/38/625063638.db2.gz TZIODNVRPVPTML-UHFFFAOYSA-N 1 1 292.383 3.126 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](N(CC)C(=O)C2CCC2)CC1 ZINC000997898708 625764017 /nfs/dbraw/zinc/76/40/17/625764017.db2.gz IWJHBBAVVVWKET-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)c2ccc(C)o2)CC1 ZINC000997920455 625770847 /nfs/dbraw/zinc/77/08/47/625770847.db2.gz IOZVAFLMWHQYPA-HNNXBMFYSA-N 1 1 290.407 3.091 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ccn(C(C)C)n1 ZINC000921763435 625867884 /nfs/dbraw/zinc/86/78/84/625867884.db2.gz QDGLRIPBPMLRFQ-UHFFFAOYSA-N 1 1 282.391 3.242 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)c2ccccc2C)CC1 ZINC001000391546 625869911 /nfs/dbraw/zinc/86/99/11/625869911.db2.gz KKCOEBQATFTSOF-UHFFFAOYSA-N 1 1 298.430 3.323 20 30 CGEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCCC2(C)C)CC1 ZINC001001052232 625890125 /nfs/dbraw/zinc/89/01/25/625890125.db2.gz PIJIIBINZYJRIV-MRXNPFEDSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CNC(=O)c2cc(C)cc(C)c2)CC1 ZINC001001400567 625895710 /nfs/dbraw/zinc/89/57/10/625895710.db2.gz XQQVOQSIDRJYOT-UHFFFAOYSA-N 1 1 298.430 3.241 20 30 CGEDMO C=CC[N@@H+]1CC=C(CNC(=O)c2ccc(C3CC3)cc2)CC1 ZINC001001462503 625896998 /nfs/dbraw/zinc/89/69/98/625896998.db2.gz GYRULZPMKPFPRY-UHFFFAOYSA-N 1 1 296.414 3.112 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)[C@H]2CC[C@H](C)C2)CC1 ZINC001001907579 625905193 /nfs/dbraw/zinc/90/51/93/625905193.db2.gz HLKZTRXCDPERFD-WFASDCNBSA-N 1 1 298.858 3.003 20 30 CGEDMO N#CC1(CCCC[N@@H+](C[C@H]2CCOC2)C2CC2)CCC1 ZINC000929266598 625973515 /nfs/dbraw/zinc/97/35/15/625973515.db2.gz RZAKGJMTJXRREH-OAHLLOKOSA-N 1 1 276.424 3.351 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@@H]2CC)CC1 ZINC001003572823 625983577 /nfs/dbraw/zinc/98/35/77/625983577.db2.gz JZAKBKSQZWEMNL-DZGCQCFKSA-N 1 1 298.858 3.146 20 30 CGEDMO N#Cc1ccccc1C[NH2+][C@H](c1ccccn1)C1CC1 ZINC000922584125 626016731 /nfs/dbraw/zinc/01/67/31/626016731.db2.gz BHJYEKWQYKQILK-KRWDZBQOSA-N 1 1 263.344 3.194 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccc(OCc2ccccc2)cc1O ZINC000753531593 626173535 /nfs/dbraw/zinc/17/35/35/626173535.db2.gz QSHIEBNUWLZHKX-UHFFFAOYSA-N 1 1 295.382 3.426 20 30 CGEDMO C=CC[N@@H+](CC1(CNC(=O)OC(C)(C)C)CC1)C(C)C ZINC000838794276 626249266 /nfs/dbraw/zinc/24/92/66/626249266.db2.gz SJCSORFLDATBHD-UHFFFAOYSA-N 1 1 282.428 3.188 20 30 CGEDMO C=C(C)C[N@H+](CC)CC1(CNC(=O)OC(C)(C)C)CC1 ZINC000838783753 626253417 /nfs/dbraw/zinc/25/34/17/626253417.db2.gz UTTOUCSIGDTZFX-UHFFFAOYSA-N 1 1 282.428 3.189 20 30 CGEDMO C[C@@H](C#N)C[NH2+]Cc1c(-c2ccccc2)nc2sccn12 ZINC000752266034 626423498 /nfs/dbraw/zinc/42/34/98/626423498.db2.gz USALBBSDQXQNGP-LBPRGKRZSA-N 1 1 296.399 3.312 20 30 CGEDMO Brc1cnn([NH+]=CC2CCCCC2)c1 ZINC000752742543 626437167 /nfs/dbraw/zinc/43/71/67/626437167.db2.gz GGTCNKAKVJOUEE-UHFFFAOYSA-N 1 1 256.147 3.060 20 30 CGEDMO C[C@H]1C[N@@H+](C)CC1N=Nc1cc(C(F)(F)F)ccc1F ZINC000753938172 626469440 /nfs/dbraw/zinc/46/94/40/626469440.db2.gz IWNAUJSZVLZINZ-QMMMGPOBSA-N 1 1 289.276 3.194 20 30 CGEDMO C[C@@H]1CC(N=Nc2nc3ccccc3s2)C[N@@H+]1C1CC1 ZINC000753965823 626470377 /nfs/dbraw/zinc/47/03/77/626470377.db2.gz IDUHGXCTCTVKTN-SNVBAGLBSA-N 1 1 286.404 3.321 20 30 CGEDMO C[C@@H]1CC(N=Nc2nc3ccccc3s2)C[N@H+]1C1CC1 ZINC000753965823 626470378 /nfs/dbraw/zinc/47/03/78/626470378.db2.gz IDUHGXCTCTVKTN-SNVBAGLBSA-N 1 1 286.404 3.321 20 30 CGEDMO C=CC[NH+](CC=C)[C@H](CNCc1ccoc1)C(C)C ZINC000754046980 626473061 /nfs/dbraw/zinc/47/30/61/626473061.db2.gz SFIYHFYJQORGTD-MRXNPFEDSA-N 1 1 262.397 3.068 20 30 CGEDMO CC(C)[N@@H+]1CC(N=Nc2nccc3sccc32)[C@H](C)C1 ZINC000754259806 626565222 /nfs/dbraw/zinc/56/52/22/626565222.db2.gz UIYIEAJBCWRKHC-LLVKDONJSA-N 1 1 288.420 3.424 20 30 CGEDMO COc1cc(C[N@H+](C)C[C@@H](C)C#N)c(O)c(C(C)(C)C)c1 ZINC000754723390 626584490 /nfs/dbraw/zinc/58/44/90/626584490.db2.gz RGZYHWCBYNKHKI-LBPRGKRZSA-N 1 1 290.407 3.290 20 30 CGEDMO COc1cc(C[N@@H+](C)C[C@@H](C)C#N)c(O)c(C(C)(C)C)c1 ZINC000754723390 626584491 /nfs/dbraw/zinc/58/44/91/626584491.db2.gz RGZYHWCBYNKHKI-LBPRGKRZSA-N 1 1 290.407 3.290 20 30 CGEDMO C#CCC[NH+]1CCN(C(=O)[C@H](CCCCC)C(C)C)CC1 ZINC000755282676 626611733 /nfs/dbraw/zinc/61/17/33/626611733.db2.gz RNXKLIQSVSWCIQ-QGZVFWFLSA-N 1 1 292.467 3.006 20 30 CGEDMO C[C@@H]1CC(N=Nc2nc(C(F)(F)F)cs2)CC[N@H+]1C ZINC000755904015 626658419 /nfs/dbraw/zinc/65/84/19/626658419.db2.gz LMLVOTVUMKCFCS-SSDOTTSWSA-N 1 1 292.330 3.044 20 30 CGEDMO C#CC[N@H+](Cc1cc(C(=O)OC)oc1CC)C1CCCC1 ZINC000756910942 626740921 /nfs/dbraw/zinc/74/09/21/626740921.db2.gz HUEJRHJLYJGZTK-UHFFFAOYSA-N 1 1 289.375 3.006 20 30 CGEDMO C#CC[C@H]([NH2+]Cc1ccc(C#N)o1)c1ccccc1 ZINC000756996718 626745833 /nfs/dbraw/zinc/74/58/33/626745833.db2.gz RAIIPKDOLVUYKQ-INIZCTEOSA-N 1 1 250.301 3.005 20 30 CGEDMO C[N@H+]1CCCC(N=Nc2ccccc2Cl)CC1 ZINC000758095197 626827066 /nfs/dbraw/zinc/82/70/66/626827066.db2.gz VBCNTLXEIVUWHE-UHFFFAOYSA-N 1 1 251.761 3.224 20 30 CGEDMO c1ccc(C[N@H+]2C[C@@H]3CCCC(=NNC4CC4)[C@H]3C2)cc1 ZINC000758127084 626828922 /nfs/dbraw/zinc/82/89/22/626828922.db2.gz KODLTKKBZGBEGN-RDJZCZTQSA-N 1 1 283.419 3.027 20 30 CGEDMO CC[C@@]1(C)CC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000758742147 626857926 /nfs/dbraw/zinc/85/79/26/626857926.db2.gz ULGBXSJEBVROCL-INIZCTEOSA-N 1 1 258.365 3.211 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000759776223 626921138 /nfs/dbraw/zinc/92/11/38/626921138.db2.gz WYWQFYADKUWWCO-LLVKDONJSA-N 1 1 270.159 3.080 20 30 CGEDMO C#CC[N@H+](C[C@H](O)c1ccc(Cl)c(F)c1)C1CCCC1 ZINC000759849742 626926838 /nfs/dbraw/zinc/92/68/38/626926838.db2.gz ACJCTCFQOFGKGH-INIZCTEOSA-N 1 1 295.785 3.390 20 30 CGEDMO C#CCC[N@@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000760828287 626995079 /nfs/dbraw/zinc/99/50/79/626995079.db2.gz PYKNMBKOXODFMW-UHFFFAOYSA-N 1 1 269.388 3.389 20 30 CGEDMO COc1cc(F)ccc1NN=Cc1[nH+]c(C)n2ccccc12 ZINC000761884178 627071742 /nfs/dbraw/zinc/07/17/42/627071742.db2.gz HFBVJTLOQHUSIM-UHFFFAOYSA-N 1 1 298.321 3.236 20 30 CGEDMO C#CCCc1noc([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000762010180 627080510 /nfs/dbraw/zinc/08/05/10/627080510.db2.gz GTAZFEPLPMHCDV-MRXNPFEDSA-N 1 1 295.386 3.015 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1cccc(SC(=O)N(C)C)c1 ZINC000762795760 627124293 /nfs/dbraw/zinc/12/42/93/627124293.db2.gz XSXIBJKRKROZAS-ZDUSSCGKSA-N 1 1 291.420 3.242 20 30 CGEDMO C[C@@H]1C[N@H+](C[C@@H](C#N)CCC#N)Cc2ccccc21 ZINC000763629190 627171208 /nfs/dbraw/zinc/17/12/08/627171208.db2.gz PSAPBAQLIRDGTA-ZIAGYGMSSA-N 1 1 253.349 3.049 20 30 CGEDMO C[C@@H]1C[N@@H+](C[C@@H](C#N)CCC#N)Cc2ccccc21 ZINC000763629190 627171210 /nfs/dbraw/zinc/17/12/10/627171210.db2.gz PSAPBAQLIRDGTA-ZIAGYGMSSA-N 1 1 253.349 3.049 20 30 CGEDMO CC[C@@H](C)C[N@H+](CC)[C@@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000764282865 627202762 /nfs/dbraw/zinc/20/27/62/627202762.db2.gz JNRCXOCQWXXQLI-CZUORRHYSA-N 1 1 288.391 3.140 20 30 CGEDMO CC[C@@H](C)C[N@@H+](CC)[C@@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000764282865 627202764 /nfs/dbraw/zinc/20/27/64/627202764.db2.gz JNRCXOCQWXXQLI-CZUORRHYSA-N 1 1 288.391 3.140 20 30 CGEDMO C=CCCC[C@@H](C)OC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000765487709 627253400 /nfs/dbraw/zinc/25/34/00/627253400.db2.gz FDGSEZXYQYDLEK-GDBMZVCRSA-N 1 1 297.439 3.068 20 30 CGEDMO C=CC[C@H]([NH2+]C1CCN(CCC)CC1)c1ccncc1 ZINC000766021655 627287472 /nfs/dbraw/zinc/28/74/72/627287472.db2.gz QZQBTJOCKMVGBQ-KRWDZBQOSA-N 1 1 273.424 3.163 20 30 CGEDMO CC[N@@H+](CCNc1nc(C(C)(C)C)ccc1C#N)C(C)C ZINC000767189667 627389261 /nfs/dbraw/zinc/38/92/61/627389261.db2.gz GDUBMGNWIJOGKN-UHFFFAOYSA-N 1 1 288.439 3.393 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccc(N(C)C)c(F)c1 ZINC000768140041 627462929 /nfs/dbraw/zinc/46/29/29/627462929.db2.gz JTXDGDYSXWRXIZ-UHFFFAOYSA-N 1 1 250.361 3.290 20 30 CGEDMO C[C@H]1C[N@H+](Cc2ccc(C#N)o2)Cc2ccccc21 ZINC000768194803 627468003 /nfs/dbraw/zinc/46/80/03/627468003.db2.gz DTUBWDMZZXEQLS-LBPRGKRZSA-N 1 1 252.317 3.271 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)o2)Cc2ccccc21 ZINC000768194803 627468008 /nfs/dbraw/zinc/46/80/08/627468008.db2.gz DTUBWDMZZXEQLS-LBPRGKRZSA-N 1 1 252.317 3.271 20 30 CGEDMO Cc1cncc([C@@H](C)[NH2+]Cc2cc(C#N)ccc2F)c1 ZINC000768226154 627469393 /nfs/dbraw/zinc/46/93/93/627469393.db2.gz CZAHNWFVLIUXQM-GFCCVEGCSA-N 1 1 269.323 3.252 20 30 CGEDMO C=CC[N@H+](Cc1cc(OC)ccc1OCOC)C(C)C ZINC000768547462 627486078 /nfs/dbraw/zinc/48/60/78/627486078.db2.gz NLBPVDNQJFWPHN-UHFFFAOYSA-N 1 1 279.380 3.074 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccc(Br)cc1C ZINC000769111931 627523505 /nfs/dbraw/zinc/52/35/05/627523505.db2.gz UBEGANBTGZJKAH-UHFFFAOYSA-N 1 1 266.182 3.213 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)OCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000769139231 627524734 /nfs/dbraw/zinc/52/47/34/627524734.db2.gz MSNHATSBQQJBBX-CQSZACIVSA-N 1 1 293.382 3.403 20 30 CGEDMO C#CC[N@H+](Cc1cnn(C(C)(C)C)c1)C1CCCCC1 ZINC000769145665 627525933 /nfs/dbraw/zinc/52/59/33/627525933.db2.gz MLFLHLNSHQBHLW-UHFFFAOYSA-N 1 1 273.424 3.406 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)Cc1ccc2c(c1)COC2 ZINC000769334779 627543213 /nfs/dbraw/zinc/54/32/13/627543213.db2.gz HFHPSPJJRSURNT-UHFFFAOYSA-N 1 1 272.392 3.479 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)Cc1ccc2c(c1)COC2 ZINC000769334779 627543215 /nfs/dbraw/zinc/54/32/15/627543215.db2.gz HFHPSPJJRSURNT-UHFFFAOYSA-N 1 1 272.392 3.479 20 30 CGEDMO C#CC[N@@H+](CC#CC)Cc1sc2nc(C)nc(C)c2c1C ZINC000769451752 627554133 /nfs/dbraw/zinc/55/41/33/627554133.db2.gz NJBWMNBHAAOZBE-UHFFFAOYSA-N 1 1 297.427 3.075 20 30 CGEDMO C#CC[N@H+](CC#CC)Cc1sc2nc(C)nc(C)c2c1C ZINC000769451752 627554136 /nfs/dbraw/zinc/55/41/36/627554136.db2.gz NJBWMNBHAAOZBE-UHFFFAOYSA-N 1 1 297.427 3.075 20 30 CGEDMO CC(=NNCC(F)(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000769821732 627581039 /nfs/dbraw/zinc/58/10/39/627581039.db2.gz MCXXCSJLCJNXEP-AWEZNQCLSA-N 1 1 299.340 3.036 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(C(=O)N2CCCC2)cc1)C1CC1 ZINC000772383288 627789104 /nfs/dbraw/zinc/78/91/04/627789104.db2.gz VVBLXLHTBBXLJL-UHFFFAOYSA-N 1 1 284.403 3.073 20 30 CGEDMO CCN(C)c1ccc(C[N@@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000773834126 627918395 /nfs/dbraw/zinc/91/83/95/627918395.db2.gz CGNSWGOMGYNOSC-QGZVFWFLSA-N 1 1 271.408 3.268 20 30 CGEDMO CCN(C)c1ccc(C[N@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000773834126 627918398 /nfs/dbraw/zinc/91/83/98/627918398.db2.gz CGNSWGOMGYNOSC-QGZVFWFLSA-N 1 1 271.408 3.268 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccccc1N1CCCCC1 ZINC000775179813 628069340 /nfs/dbraw/zinc/06/93/40/628069340.db2.gz RROXTLTWQSPIJB-OAHLLOKOSA-N 1 1 256.393 3.130 20 30 CGEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(-c2ccc(C(=O)OC)cc2)o1 ZINC000775182566 628070010 /nfs/dbraw/zinc/07/00/10/628070010.db2.gz DDEPOQITNSNYKC-ZDUSSCGKSA-N 1 1 297.354 3.187 20 30 CGEDMO C#CC[C@H]([NH2+]Cc1cc(C)c(C(=O)OC)o1)c1ccccc1 ZINC000775399430 628090977 /nfs/dbraw/zinc/09/09/77/628090977.db2.gz RHCBXLAOFGAYFG-INIZCTEOSA-N 1 1 297.354 3.229 20 30 CGEDMO C#CC[N@H+](C[C@@H](O)c1ccc(F)cc1Cl)C1CCCC1 ZINC000775612262 628114234 /nfs/dbraw/zinc/11/42/34/628114234.db2.gz CKXANRWITCTGGG-MRXNPFEDSA-N 1 1 295.785 3.390 20 30 CGEDMO C=CC[N@@H+](Cc1cn(C)nc1-c1ccccc1)C(C)C ZINC000775656542 628120836 /nfs/dbraw/zinc/12/08/36/628120836.db2.gz JQFHFJAYKJYVEY-UHFFFAOYSA-N 1 1 269.392 3.484 20 30 CGEDMO C=C(C)[C@@H]([NH2+]CCN1CCCC1)c1ccc(F)c(F)c1 ZINC000775726066 628129624 /nfs/dbraw/zinc/12/96/24/628129624.db2.gz YRXACLSULVPVIM-MRXNPFEDSA-N 1 1 280.362 3.267 20 30 CGEDMO CCC[C@@H](C)C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000775744436 628132165 /nfs/dbraw/zinc/13/21/65/628132165.db2.gz LLHMNYWORDGKHL-PBHICJAKSA-N 1 1 272.392 3.368 20 30 CGEDMO Cc1cc2ccccc2nc1N=NC1C[C@H](C)[N@H+](C)C1 ZINC000776782863 628231654 /nfs/dbraw/zinc/23/16/54/628231654.db2.gz LZDFCHMQYRSEJH-LBPRGKRZSA-N 1 1 268.364 3.035 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000778230162 628336077 /nfs/dbraw/zinc/33/60/77/628336077.db2.gz FIJXHIJBOHDRAB-UHFFFAOYSA-N 1 1 254.717 3.256 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000778230162 628336081 /nfs/dbraw/zinc/33/60/81/628336081.db2.gz FIJXHIJBOHDRAB-UHFFFAOYSA-N 1 1 254.717 3.256 20 30 CGEDMO C=C(C)CCOC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC000778656401 628363928 /nfs/dbraw/zinc/36/39/28/628363928.db2.gz NCPDBZPZOGGTLS-UHFFFAOYSA-N 1 1 253.386 3.149 20 30 CGEDMO C=CCCC[C@H](C)[N@H+](C)Cc1ncc(Cl)n1C ZINC000778989227 628380979 /nfs/dbraw/zinc/38/09/79/628380979.db2.gz TVZIJKNCBCNYIO-NSHDSACASA-N 1 1 255.793 3.250 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+](C)Cc1ncc(Cl)n1C ZINC000778989227 628380980 /nfs/dbraw/zinc/38/09/80/628380980.db2.gz TVZIJKNCBCNYIO-NSHDSACASA-N 1 1 255.793 3.250 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@@H+](C)C(C)C ZINC000779147937 628390073 /nfs/dbraw/zinc/39/00/73/628390073.db2.gz HIDOTIDTDVTVEX-UHFFFAOYSA-N 1 1 251.757 3.192 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@H+](C)C(C)C ZINC000779147937 628390075 /nfs/dbraw/zinc/39/00/75/628390075.db2.gz HIDOTIDTDVTVEX-UHFFFAOYSA-N 1 1 251.757 3.192 20 30 CGEDMO Fc1ccc(C=NNc2cc[nH+]cc2)c(C(F)(F)F)c1 ZINC000779808827 628433605 /nfs/dbraw/zinc/43/36/05/628433605.db2.gz IBEYOMPBRRCONH-UHFFFAOYSA-N 1 1 283.228 3.107 20 30 CGEDMO COc1ccc2oc(C(C)=NNc3cc[nH+]cc3)c(C)c2c1 ZINC000779809673 628433903 /nfs/dbraw/zinc/43/39/03/628433903.db2.gz SCOOGXGDALXYQC-UHFFFAOYSA-N 1 1 295.342 3.403 20 30 CGEDMO CCC(=NNc1cc[nH+]cc1)c1ccc(OC(F)F)cc1 ZINC000779809544 628434093 /nfs/dbraw/zinc/43/40/93/628434093.db2.gz PMIDXTBRHGJENB-UHFFFAOYSA-N 1 1 291.301 3.331 20 30 CGEDMO C#CCCCCCC(=O)N1CC[N@H+](C)CC12CCCCC2 ZINC000779970170 628446932 /nfs/dbraw/zinc/44/69/32/628446932.db2.gz UXYIOOMFFSRGIU-UHFFFAOYSA-N 1 1 290.451 3.047 20 30 CGEDMO C#CCCCCCC(=O)Nc1c[nH+]ccc1-n1cc(C)cn1 ZINC000779998888 628450414 /nfs/dbraw/zinc/45/04/14/628450414.db2.gz MHRZFEFNDRNOHS-UHFFFAOYSA-N 1 1 296.374 3.098 20 30 CGEDMO C=C(Cl)C[N@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000781352408 628555957 /nfs/dbraw/zinc/55/59/57/628555957.db2.gz UFMZMXBWPQUXII-UHFFFAOYSA-N 1 1 291.757 3.122 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000781352408 628555960 /nfs/dbraw/zinc/55/59/60/628555960.db2.gz UFMZMXBWPQUXII-UHFFFAOYSA-N 1 1 291.757 3.122 20 30 CGEDMO Clc1cc2c(c(C[NH2+]CC#Cc3ccccc3)c1)OCC2 ZINC000782958660 628669889 /nfs/dbraw/zinc/66/98/89/628669889.db2.gz DFTZNFYRSBODAO-UHFFFAOYSA-N 1 1 297.785 3.416 20 30 CGEDMO N#Cc1ccc(C[NH2+][C@@H]2CCSc3ccc(F)cc32)nc1 ZINC000783299757 628700874 /nfs/dbraw/zinc/70/08/74/628700874.db2.gz FMUFVHMVARQKCU-OAHLLOKOSA-N 1 1 299.374 3.419 20 30 CGEDMO C#CCCC[N@@H+](Cc1ccccc1)C[C@@](C)(O)CC ZINC000784397388 628812365 /nfs/dbraw/zinc/81/23/65/628812365.db2.gz INCAGDVOLLWYQD-KRWDZBQOSA-N 1 1 259.393 3.063 20 30 CGEDMO C[C@H](C[N@H+](CCC#N)CC(C)(C)C)NC(=O)OC(C)(C)C ZINC000785457030 628863811 /nfs/dbraw/zinc/86/38/11/628863811.db2.gz CAEVJURNXZCBIU-CYBMUJFWSA-N 1 1 297.443 3.161 20 30 CGEDMO C[C@H](C[N@@H+](CCC#N)CC(C)(C)C)NC(=O)OC(C)(C)C ZINC000785457030 628863813 /nfs/dbraw/zinc/86/38/13/628863813.db2.gz CAEVJURNXZCBIU-CYBMUJFWSA-N 1 1 297.443 3.161 20 30 CGEDMO CCOCCC[N@H+]1CCC(N=NC2CCCCC2)[C@@H](C)C1 ZINC000786043050 628910795 /nfs/dbraw/zinc/91/07/95/628910795.db2.gz GBXGVRPNJWOWHW-HNNXBMFYSA-N 1 1 295.471 3.033 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000805808594 628938079 /nfs/dbraw/zinc/93/80/79/628938079.db2.gz VPRXJELKKGLGAK-INIZCTEOSA-N 1 1 280.456 3.291 20 30 CGEDMO C#Cc1ccc(CN2CC[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000787770723 629028678 /nfs/dbraw/zinc/02/86/78/629028678.db2.gz VFGQVMICADMLBY-FQEVSTJZSA-N 1 1 290.410 3.157 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCN(C)C[C@H]2c2ccccc2)cc1 ZINC000787770723 629028685 /nfs/dbraw/zinc/02/86/85/629028685.db2.gz VFGQVMICADMLBY-FQEVSTJZSA-N 1 1 290.410 3.157 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)[C@@H](C)c2ccccn2)cc1 ZINC000787773741 629029268 /nfs/dbraw/zinc/02/92/68/629029268.db2.gz DTIRSPDHGPVESU-AWEZNQCLSA-N 1 1 250.345 3.256 20 30 CGEDMO C#CCOc1ccccc1C[N@H+](C)Cc1ccn(CC)c1 ZINC000789514660 629141559 /nfs/dbraw/zinc/14/15/59/629141559.db2.gz UZFIZGBUOSSFPH-UHFFFAOYSA-N 1 1 282.387 3.152 20 30 CGEDMO C#CCn1ccc(C[N@@H+](CC)C[C@H]2C(C)=CCC[C@@H]2C)n1 ZINC000789761835 629166138 /nfs/dbraw/zinc/16/61/38/629166138.db2.gz LAYCLUXJMCPLGX-WMZOPIPTSA-N 1 1 285.435 3.331 20 30 CGEDMO CC[C@@H](C)NN=C(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000790180947 629189385 /nfs/dbraw/zinc/18/93/85/629189385.db2.gz BZLLYCSZCQQGHE-PBHICJAKSA-N 1 1 273.424 3.273 20 30 CGEDMO CCCCCCCC[N@@H+]1CCn2cnnc2[C@@H]1C ZINC000792380457 629358379 /nfs/dbraw/zinc/35/83/79/629358379.db2.gz VBARGPOEEGQXIC-ZDUSSCGKSA-N 1 1 250.390 3.015 20 30 CGEDMO CCCCCCCC[N@H+]1CCn2cnnc2[C@@H]1C ZINC000792380457 629358384 /nfs/dbraw/zinc/35/83/84/629358384.db2.gz VBARGPOEEGQXIC-ZDUSSCGKSA-N 1 1 250.390 3.015 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(OC(C)C)c(OC)c2)C1 ZINC000862443202 629375170 /nfs/dbraw/zinc/37/51/70/629375170.db2.gz LRMGELZTMHJFCI-OAHLLOKOSA-N 1 1 287.403 3.328 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(OC(C)C)c(OC)c2)C1 ZINC000862443201 629375511 /nfs/dbraw/zinc/37/55/11/629375511.db2.gz LRMGELZTMHJFCI-HNNXBMFYSA-N 1 1 287.403 3.328 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000862445631 629379629 /nfs/dbraw/zinc/37/96/29/629379629.db2.gz YNKSMRGMAJOIKK-CQSZACIVSA-N 1 1 266.344 3.187 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccnn2-c2ccccc2C)C1 ZINC000862448552 629380863 /nfs/dbraw/zinc/38/08/63/629380863.db2.gz ZURZAFFPXQUEIO-INIZCTEOSA-N 1 1 279.387 3.026 20 30 CGEDMO C#CC[C@H]1CC[N@H+](C/C=C/c2ccc(F)c(F)c2)C1 ZINC000862448335 629381313 /nfs/dbraw/zinc/38/13/13/629381313.db2.gz XJRBOCOCINYLKG-KQIUPUNMSA-N 1 1 261.315 3.323 20 30 CGEDMO CC[C@@H](C)CON=C1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000793159915 629418846 /nfs/dbraw/zinc/41/88/46/629418846.db2.gz RRSUIINVCAKIHM-HUUCEWRRSA-N 1 1 289.423 3.342 20 30 CGEDMO C#CC[C@@H](Cc1ccccc1)OC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000793375036 629450655 /nfs/dbraw/zinc/45/06/55/629450655.db2.gz NVWPZDGRMOANLX-ROUUACIJSA-N 1 1 299.414 3.039 20 30 CGEDMO C#CC[C@@H](Cc1ccccc1)OC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000793375036 629450657 /nfs/dbraw/zinc/45/06/57/629450657.db2.gz NVWPZDGRMOANLX-ROUUACIJSA-N 1 1 299.414 3.039 20 30 CGEDMO C[C@@H]1CC(N=Nc2ncccc2F)C[N@H+]1Cc1ccccc1 ZINC000794991300 629615625 /nfs/dbraw/zinc/61/56/25/629615625.db2.gz ZDGMQRDYFOMYNF-CYBMUJFWSA-N 1 1 298.365 3.283 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795098472 629631517 /nfs/dbraw/zinc/63/15/17/629631517.db2.gz JOQBFLHGBHCBDJ-LSDHHAIUSA-N 1 1 294.439 3.284 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795112739 629634075 /nfs/dbraw/zinc/63/40/75/629634075.db2.gz ZYISYZCAMIWNJL-HUUCEWRRSA-N 1 1 294.439 3.284 20 30 CGEDMO C=CC[N@H+](CN1Cc2c(cccc2Cl)C1=O)C(C)C ZINC000795412086 629672317 /nfs/dbraw/zinc/67/23/17/629672317.db2.gz PKKDWNJOFNOFKT-UHFFFAOYSA-N 1 1 278.783 3.150 20 30 CGEDMO C=CC[N@@H+](CN1Cc2c(cccc2Cl)C1=O)C(C)C ZINC000795412086 629672323 /nfs/dbraw/zinc/67/23/23/629672323.db2.gz PKKDWNJOFNOFKT-UHFFFAOYSA-N 1 1 278.783 3.150 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000796284893 629761265 /nfs/dbraw/zinc/76/12/65/629761265.db2.gz UGVSRPMNHWMDMH-SPUZQDLCSA-N 1 1 284.403 3.183 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1C[C@H](C)CC[C@@H]1c1ccccc1 ZINC000796436875 629780706 /nfs/dbraw/zinc/78/07/06/629780706.db2.gz ZEDIZKMDVCTCIC-HLLBOEOZSA-N 1 1 272.392 3.388 20 30 CGEDMO C=C(Cl)CN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000796438184 629780974 /nfs/dbraw/zinc/78/09/74/629780974.db2.gz QIJNOSDCZCQNCR-QGZVFWFLSA-N 1 1 290.838 3.337 20 30 CGEDMO CC(C)(C)[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000796574434 629801811 /nfs/dbraw/zinc/80/18/11/629801811.db2.gz DVIIIVYFOWDILT-IAGOWNOFSA-N 1 1 286.419 3.350 20 30 CGEDMO CCc1ccc([C@H]2CCC[N@@H+](CCO[C@H](C)C#N)C2)cc1 ZINC000796585196 629803691 /nfs/dbraw/zinc/80/36/91/629803691.db2.gz RDLBSBCVUQDMLB-QAPCUYQASA-N 1 1 286.419 3.357 20 30 CGEDMO COc1ccc(O)c(/C=N\C[C@H]2c3ccccc3C[N@H+]2C)c1 ZINC000864348388 629817789 /nfs/dbraw/zinc/81/77/89/629817789.db2.gz KOQYFMTZLMGGQH-KCBNLNMNSA-N 1 1 296.370 3.006 20 30 CGEDMO COc1ccc(O)c(/C=N\C[C@H]2c3ccccc3C[N@@H+]2C)c1 ZINC000864348388 629817794 /nfs/dbraw/zinc/81/77/94/629817794.db2.gz KOQYFMTZLMGGQH-KCBNLNMNSA-N 1 1 296.370 3.006 20 30 CGEDMO C=CC[N@H+](Cc1ccnn1-c1ccccc1OC)C(C)C ZINC000797590048 629964577 /nfs/dbraw/zinc/96/45/77/629964577.db2.gz VBRNVXOZUGSMPN-UHFFFAOYSA-N 1 1 285.391 3.277 20 30 CGEDMO C#Cc1cccc(NC(=O)C[N@H+](C)C[C@H](C)CC(C)C)c1 ZINC000799113442 630144871 /nfs/dbraw/zinc/14/48/71/630144871.db2.gz GDAKZTWGRNDMNI-OAHLLOKOSA-N 1 1 286.419 3.220 20 30 CGEDMO C=CCN1CC[C@H]([N@H+](C)CCCCCCCC)C1=O ZINC000799177362 630153218 /nfs/dbraw/zinc/15/32/18/630153218.db2.gz MSGZCQHZDDZKTR-HNNXBMFYSA-N 1 1 266.429 3.066 20 30 CGEDMO C[C@H]1CCC[N@H+]1CCNc1ncc(C#N)c2ccsc21 ZINC000865565046 630191887 /nfs/dbraw/zinc/19/18/87/630191887.db2.gz SOIANQOKUJLCQG-NSHDSACASA-N 1 1 286.404 3.064 20 30 CGEDMO C=CC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C(C)C ZINC000801512038 630339574 /nfs/dbraw/zinc/33/95/74/630339574.db2.gz ZHRMSURLFBEYLY-UHFFFAOYSA-N 1 1 252.289 3.130 20 30 CGEDMO CC(C)c1ccc(C[N@@H+](C)CCO[C@H](C)C#N)cc1 ZINC000801912339 630364647 /nfs/dbraw/zinc/36/46/47/630364647.db2.gz NNTZVCLEQZGXTH-CQSZACIVSA-N 1 1 260.381 3.170 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@@H]1Cc1ccccc1Cl ZINC000801916020 630365723 /nfs/dbraw/zinc/36/57/23/630365723.db2.gz QEAPDWOIZZKQIO-UKRRQHHQSA-N 1 1 292.810 3.276 20 30 CGEDMO CC[N@@H+](CCO[C@@H](C)C#N)[C@@H](C)c1cccc(OC)c1 ZINC000801915447 630366120 /nfs/dbraw/zinc/36/61/20/630366120.db2.gz LKDVTDXQNYGPGE-KBPBESRZSA-N 1 1 276.380 3.007 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000801924498 630367571 /nfs/dbraw/zinc/36/75/71/630367571.db2.gz PUXIAZHTXUYSIL-XJKCOSOUSA-N 1 1 276.355 3.137 20 30 CGEDMO C[N@@H+](CC[C@H](O)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000808707754 630667844 /nfs/dbraw/zinc/66/78/44/630667844.db2.gz XXWGBXQTPINMEP-SFHVURJKSA-N 1 1 280.371 3.114 20 30 CGEDMO N#Cc1ccc(OCCC[N@H+]2CCCc3occc3C2)cc1 ZINC000808796893 630679183 /nfs/dbraw/zinc/67/91/83/630679183.db2.gz FAOOZRZLTHPTIR-UHFFFAOYSA-N 1 1 296.370 3.369 20 30 CGEDMO CC(C)c1ccc(C[N@@H+](C[C@H](O)CC#N)C2CC2)cc1 ZINC000809571002 630752445 /nfs/dbraw/zinc/75/24/45/630752445.db2.gz XBAXBMDLEPEEJF-QGZVFWFLSA-N 1 1 272.392 3.049 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)CCO2 ZINC000809715581 630788669 /nfs/dbraw/zinc/78/86/69/630788669.db2.gz DFLHYKZYGUVOHZ-UHFFFAOYSA-N 1 1 277.367 3.257 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccccc1O ZINC000809717081 630789405 /nfs/dbraw/zinc/78/94/05/630789405.db2.gz WTOXOMYYZKIWCX-UHFFFAOYSA-N 1 1 251.329 3.028 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1nccc2ccccc21 ZINC000810238547 630857969 /nfs/dbraw/zinc/85/79/69/630857969.db2.gz KGTRLLCAOYFMNK-CYBMUJFWSA-N 1 1 288.354 3.352 20 30 CGEDMO C=CC[C@H](C(=O)O[C@H](C)Cn1cc[nH+]c1C)c1ccccc1 ZINC000810613002 630905576 /nfs/dbraw/zinc/90/55/76/630905576.db2.gz MDWPENLSFVNXON-PBHICJAKSA-N 1 1 298.386 3.483 20 30 CGEDMO C=CCCCCOC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000811009803 631002095 /nfs/dbraw/zinc/00/20/95/631002095.db2.gz AWRCUGVLLHQAOF-OAHLLOKOSA-N 1 1 271.376 3.098 20 30 CGEDMO C#CC[N@H+](CCc1ccc(F)cc1Cl)C1CC1 ZINC000811490952 631074842 /nfs/dbraw/zinc/07/48/42/631074842.db2.gz WPQAQPYCSBQQJQ-UHFFFAOYSA-N 1 1 251.732 3.119 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+]1CC(C)(C)[C@@H]1C1CC1 ZINC000811513277 631079951 /nfs/dbraw/zinc/07/99/51/631079951.db2.gz FQXZRXFXKFYLPN-KRWDZBQOSA-N 1 1 269.388 3.319 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC000878711650 635613268 /nfs/dbraw/zinc/61/32/68/635613268.db2.gz MKJMJLPLQIWBOF-DYVFJYSZSA-N 1 1 271.360 3.061 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000878711652 635614111 /nfs/dbraw/zinc/61/41/11/635614111.db2.gz MKJMJLPLQIWBOF-SUMWQHHRSA-N 1 1 271.360 3.061 20 30 CGEDMO c1ccc(C[N@H+]2CCC(=NOCCC3CC3)C2)cc1 ZINC000814247258 631561122 /nfs/dbraw/zinc/56/11/22/631561122.db2.gz YHABFDFNEGMVDW-UHFFFAOYSA-N 1 1 258.365 3.065 20 30 CGEDMO c1ccc(C[N@@H+]2CCC(=NOCCC3CC3)C2)cc1 ZINC000814247258 631561128 /nfs/dbraw/zinc/56/11/28/631561128.db2.gz YHABFDFNEGMVDW-UHFFFAOYSA-N 1 1 258.365 3.065 20 30 CGEDMO CC(=[NH+]Nc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1N ZINC000814693546 631625455 /nfs/dbraw/zinc/62/54/55/631625455.db2.gz WZLOOVSRCYQXDE-UHFFFAOYSA-N 1 1 288.282 3.152 20 30 CGEDMO Cc1ccc(C(C)C)c2c1C(=NNc1cc[nH+]cc1)CO2 ZINC000814899574 631670775 /nfs/dbraw/zinc/67/07/75/631670775.db2.gz CAHYWUWYHDDMTI-UHFFFAOYSA-N 1 1 281.359 3.144 20 30 CGEDMO C#Cc1cccc(NC(=O)C[N@H+](C)[C@@H]2C=CCCCCC2)c1 ZINC000815020588 631705403 /nfs/dbraw/zinc/70/54/03/631705403.db2.gz DPQKZLOGJWIDBA-GOSISDBHSA-N 1 1 296.414 3.427 20 30 CGEDMO N#CCCOCC[N@@H+]1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000815047839 631706344 /nfs/dbraw/zinc/70/63/44/631706344.db2.gz KSJOMGQHPPEBFW-HNNXBMFYSA-N 1 1 280.318 3.032 20 30 CGEDMO C=CCOCC[N@@H+]1CCN(c2ccc(C)c(C)c2)C[C@@H]1C ZINC000815057269 631708973 /nfs/dbraw/zinc/70/89/73/631708973.db2.gz NBXYCMZPKOZORW-KRWDZBQOSA-N 1 1 288.435 3.017 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@H](CO)CC2)cc1 ZINC000815278748 631753262 /nfs/dbraw/zinc/75/32/62/631753262.db2.gz KJYUSWZIKYQEIS-INIZCTEOSA-N 1 1 286.419 3.082 20 30 CGEDMO C=CCCC(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000816454707 631985580 /nfs/dbraw/zinc/98/55/80/631985580.db2.gz IEAYMDNXPJCSRE-RDJZCZTQSA-N 1 1 287.403 3.406 20 30 CGEDMO C=CCCCCC[N@@H+](C)Cc1cnn(C)c1Cl ZINC000816513353 632000836 /nfs/dbraw/zinc/00/08/36/632000836.db2.gz NWYGJUDLRHHLOM-UHFFFAOYSA-N 1 1 255.793 3.252 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cnn(C)c1Cl ZINC000816513353 632000837 /nfs/dbraw/zinc/00/08/37/632000837.db2.gz NWYGJUDLRHHLOM-UHFFFAOYSA-N 1 1 255.793 3.252 20 30 CGEDMO N#CCCC[C@H]([NH3+])c1nc(Cc2cccc(Cl)c2)no1 ZINC000818381864 632316107 /nfs/dbraw/zinc/31/61/07/632316107.db2.gz UGVVCOANPFTXFY-LBPRGKRZSA-N 1 1 290.754 3.007 20 30 CGEDMO C#CC[N@H+](C)CCCNC(=O)[C@H](CC)CC1CCCCC1 ZINC000818588883 632338554 /nfs/dbraw/zinc/33/85/54/632338554.db2.gz IHVOETIZMOSUIE-QGZVFWFLSA-N 1 1 292.467 3.054 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1F)C[C@](C)(O)c1ccccc1 ZINC000822516995 632955282 /nfs/dbraw/zinc/95/52/82/632955282.db2.gz SMHDQENYZLQZQD-SFHVURJKSA-N 1 1 298.361 3.037 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)C[C@@](C)(O)c1ccccc1 ZINC000822521248 632957506 /nfs/dbraw/zinc/95/75/06/632957506.db2.gz ZADZWNKWUOLWLQ-GOSISDBHSA-N 1 1 298.361 3.037 20 30 CGEDMO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1O)c1cccnc1 ZINC000866214367 633031429 /nfs/dbraw/zinc/03/14/29/633031429.db2.gz CACSLYOSNHORDB-NEPJUHHUSA-N 1 1 267.332 3.071 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)C[C@H](O)c1ccc(Cl)cc1Cl ZINC000822972802 633044259 /nfs/dbraw/zinc/04/42/59/633044259.db2.gz NRCCSMYRPBELFC-ZDUSSCGKSA-N 1 1 286.202 3.370 20 30 CGEDMO C#CCCC[N@@H+]1CCCC[C@@H]1CCC(=O)OC(C)(C)C ZINC000823239458 633079937 /nfs/dbraw/zinc/07/99/37/633079937.db2.gz KUYPOYCJZXJBDD-OAHLLOKOSA-N 1 1 279.424 3.376 20 30 CGEDMO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1O)c1ccns1 ZINC000866396813 633122400 /nfs/dbraw/zinc/12/24/00/633122400.db2.gz ADKGPWDUXYLDKY-NXEZZACHSA-N 1 1 273.361 3.132 20 30 CGEDMO C[N@@H+](CC#Cc1ccc(F)cc1)Cc1ccccc1O ZINC000121138502 633209272 /nfs/dbraw/zinc/20/92/72/633209272.db2.gz SPCZCRPPZRHUBM-UHFFFAOYSA-N 1 1 269.319 3.015 20 30 CGEDMO CCCCC[C@H]([NH2+]C1CCC(C)(C#N)CC1)C(=O)OC ZINC000824276316 633222976 /nfs/dbraw/zinc/22/29/76/633222976.db2.gz IPZJMNIAFFIUOI-BBBYJDLNSA-N 1 1 280.412 3.170 20 30 CGEDMO C#C[C@H]([NH2+][C@H]1CSC[C@@H]1C)c1ccc(Cl)cc1F ZINC000824370362 633237716 /nfs/dbraw/zinc/23/77/16/633237716.db2.gz GBFWPZZIHUIAEP-HERUPUMHSA-N 1 1 283.799 3.495 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(O[C@H]2CCOC2)cc1)C(C)C ZINC000824580640 633262390 /nfs/dbraw/zinc/26/23/90/633262390.db2.gz HNEXLBMGRUDAAK-KRWDZBQOSA-N 1 1 275.392 3.251 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC[NH2+][C@@H](c2ccccc2C)C1 ZINC000825168724 633333561 /nfs/dbraw/zinc/33/35/61/633333561.db2.gz BUHMRZBAYGMBQT-AEFFLSMTSA-N 1 1 286.419 3.070 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)cc1 ZINC000826539362 633412832 /nfs/dbraw/zinc/41/28/32/633412832.db2.gz RZBLTQUOUOPNMU-WMZOPIPTSA-N 1 1 269.388 3.463 20 30 CGEDMO C#CCCOc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000826862092 633438566 /nfs/dbraw/zinc/43/85/66/633438566.db2.gz UEODLZOYJOZFCB-INIZCTEOSA-N 1 1 282.387 3.214 20 30 CGEDMO C=CCCCCCCNC(=O)N(CCC)[C@H]1CC[N@@H+](C)C1 ZINC000827073026 633454691 /nfs/dbraw/zinc/45/46/91/633454691.db2.gz ZOZUTZBGXHCEOO-INIZCTEOSA-N 1 1 295.471 3.249 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC000870907014 633668867 /nfs/dbraw/zinc/66/88/67/633668867.db2.gz OROXNPPCMFWKOX-QGZVFWFLSA-N 1 1 286.419 3.042 20 30 CGEDMO C#CCCCCC(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC000888573242 633773029 /nfs/dbraw/zinc/77/30/29/633773029.db2.gz HJBXXDDBORBSOS-UHFFFAOYSA-N 1 1 285.391 3.204 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2nc(-c3ccc(F)cc3)no2)C1 ZINC000829768319 633779471 /nfs/dbraw/zinc/77/94/71/633779471.db2.gz BWWQSIPTBICROI-ZDUSSCGKSA-N 1 1 299.349 3.111 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(OCC)cc2)C1 ZINC000829773845 633780528 /nfs/dbraw/zinc/78/05/28/633780528.db2.gz KCCJNCBHHPHBPZ-OAHLLOKOSA-N 1 1 257.377 3.321 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cc(C)ccc2OC)C1 ZINC000829773259 633780944 /nfs/dbraw/zinc/78/09/44/633780944.db2.gz BNTSVPWWYIGYIE-HNNXBMFYSA-N 1 1 257.377 3.239 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2OC)C1 ZINC000829775071 633781058 /nfs/dbraw/zinc/78/10/58/633781058.db2.gz XWDYJMXMELMUDG-CYBMUJFWSA-N 1 1 261.340 3.070 20 30 CGEDMO C#CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000829778450 633782672 /nfs/dbraw/zinc/78/26/72/633782672.db2.gz CFTFWALUWXAOKE-IRXDYDNUSA-N 1 1 298.430 3.366 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000829785340 633784073 /nfs/dbraw/zinc/78/40/73/633784073.db2.gz ULIAUFXRZREKBG-GFCCVEGCSA-N 1 1 292.766 3.484 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccn(-c3ccccc3F)n2)C1 ZINC000829810643 633793073 /nfs/dbraw/zinc/79/30/73/633793073.db2.gz SMGOFVKIDLGZBZ-OAHLLOKOSA-N 1 1 297.377 3.247 20 30 CGEDMO C#CC1CC[NH+](Cc2coc(-c3cccs3)n2)CC1 ZINC000830311493 633848187 /nfs/dbraw/zinc/84/81/87/633848187.db2.gz NODFQZXXKIJING-UHFFFAOYSA-N 1 1 272.373 3.248 20 30 CGEDMO C#CC1CC[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000830326146 633850443 /nfs/dbraw/zinc/85/04/43/633850443.db2.gz DGQGCZWCDXHDSO-UHFFFAOYSA-N 1 1 278.739 3.093 20 30 CGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCCC[C@H]2C2CCC2)cc1 ZINC000830989227 633905420 /nfs/dbraw/zinc/90/54/20/633905420.db2.gz USOJIOCUNQQJHR-ZWKOTPCHSA-N 1 1 284.403 3.246 20 30 CGEDMO Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1CCO[C@H](C)C#N ZINC000832524721 634070477 /nfs/dbraw/zinc/07/04/77/634070477.db2.gz RCBLGVWNKABJJR-CZUORRHYSA-N 1 1 276.355 3.200 20 30 CGEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(C2(CC)CCCC2)no1 ZINC000872179552 634080086 /nfs/dbraw/zinc/08/00/86/634080086.db2.gz CFPZXRIWNCVNRY-SNVBAGLBSA-N 1 1 269.776 3.434 20 30 CGEDMO C=C(CC)C[N@@H+](C)C[C@@H](O)c1ccccc1Br ZINC000832680600 634080688 /nfs/dbraw/zinc/08/06/88/634080688.db2.gz TZNOMZGEMMALEA-CQSZACIVSA-N 1 1 298.224 3.381 20 30 CGEDMO FC1(F)CCC[C@@H]1CNN=C1CCC[N@H+]2CCCC[C@H]12 ZINC000872405880 634134850 /nfs/dbraw/zinc/13/48/50/634134850.db2.gz QBVCXURIIKTGDP-TZMCWYRMSA-N 1 1 285.382 3.016 20 30 CGEDMO Cc1cc(C)c(O)c(C[N@H+](C)[C@H]2CCC[C@H]2C#N)c1 ZINC000872681483 634186381 /nfs/dbraw/zinc/18/63/81/634186381.db2.gz HULWMFSFORVHAC-ZFWWWQNUSA-N 1 1 258.365 3.133 20 30 CGEDMO C[C@H]1CC[C@H](C)C(=[NH+]n2cc(Br)cn2)C1 ZINC000834966455 634296926 /nfs/dbraw/zinc/29/69/26/634296926.db2.gz OBGSVTHJWRXJHQ-IUCAKERBSA-N 1 1 270.174 3.306 20 30 CGEDMO CC(=[NH+]N[C@H](C)C(F)(F)F)c1ccccc1N(C)C ZINC000834997965 634305772 /nfs/dbraw/zinc/30/57/72/634305772.db2.gz ODVDRRFSSFQEQB-SNVBAGLBSA-N 1 1 273.302 3.017 20 30 CGEDMO C#CCCCCCC[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000876620721 634870214 /nfs/dbraw/zinc/87/02/14/634870214.db2.gz RAKRVQPZOMHWAX-OAHLLOKOSA-N 1 1 259.397 3.173 20 30 CGEDMO N#Cc1cnc(Cl)c(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000876639798 634873618 /nfs/dbraw/zinc/87/36/18/634873618.db2.gz XEQYVULJNRVEDY-JSGCOSHPSA-N 1 1 275.783 3.371 20 30 CGEDMO CC[N@H+](Cc1ccccn1)Cc1cc(C#N)ccc1N(C)C ZINC000876725913 634887119 /nfs/dbraw/zinc/88/71/19/634887119.db2.gz QIWYTHMLTGRICU-UHFFFAOYSA-N 1 1 294.402 3.041 20 30 CGEDMO CC[N@@H+](Cc1ccccn1)Cc1cc(C#N)ccc1N(C)C ZINC000876725913 634887123 /nfs/dbraw/zinc/88/71/23/634887123.db2.gz QIWYTHMLTGRICU-UHFFFAOYSA-N 1 1 294.402 3.041 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000876747142 634891729 /nfs/dbraw/zinc/89/17/29/634891729.db2.gz WZGKNZAUCCWTLH-GOSISDBHSA-N 1 1 287.403 3.349 20 30 CGEDMO C#CCCCCCC[N@H+]1CCO[C@@H](c2cccc(O)c2)C1 ZINC000876747142 634891732 /nfs/dbraw/zinc/89/17/32/634891732.db2.gz WZGKNZAUCCWTLH-GOSISDBHSA-N 1 1 287.403 3.349 20 30 CGEDMO CC(C)[N@@H+](Cc1cc(C#N)cnc1Cl)C1CCC1 ZINC000876759615 634894446 /nfs/dbraw/zinc/89/44/46/634894446.db2.gz OVFKMSOMCGOBDE-UHFFFAOYSA-N 1 1 263.772 3.370 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCO[C@H](c2ccco2)C1 ZINC000876790752 634898915 /nfs/dbraw/zinc/89/89/15/634898915.db2.gz VCDZDXOXDCLMJI-INIZCTEOSA-N 1 1 261.365 3.237 20 30 CGEDMO C#CCCCCCC[N@H+]1CCO[C@H](c2ccco2)C1 ZINC000876790752 634898917 /nfs/dbraw/zinc/89/89/17/634898917.db2.gz VCDZDXOXDCLMJI-INIZCTEOSA-N 1 1 261.365 3.237 20 30 CGEDMO N#Cc1cnc(Cl)c(C[NH2+][C@H]2CCc3c2cccc3O)c1 ZINC000877024160 634953688 /nfs/dbraw/zinc/95/36/88/634953688.db2.gz SIEVJBCLLXKOKA-AWEZNQCLSA-N 1 1 299.761 3.089 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCCC[C@@H](COC)C1 ZINC000877395907 635034148 /nfs/dbraw/zinc/03/41/48/635034148.db2.gz PBQSDQHMZVXOLA-MRXNPFEDSA-N 1 1 251.414 3.319 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1N ZINC000877480567 635053228 /nfs/dbraw/zinc/05/32/28/635053228.db2.gz ZMRMYMLFVGPQEW-QMMMGPOBSA-N 1 1 257.164 3.029 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)cnc2Cl)[C@@H](C)[C@H]1C ZINC000877593894 635105803 /nfs/dbraw/zinc/10/58/03/635105803.db2.gz ITBRDGHFNBSZCT-VWYCJHECSA-N 1 1 263.772 3.083 20 30 CGEDMO C#CCCCCCC[N@H+]1CC[C@@H](OCc2ccccn2)C1 ZINC000877645412 635130516 /nfs/dbraw/zinc/13/05/16/635130516.db2.gz KOOPJVQFTJUEQF-GOSISDBHSA-N 1 1 286.419 3.256 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1cncc(Cl)c1 ZINC000877703891 635155943 /nfs/dbraw/zinc/15/59/43/635155943.db2.gz BJLDBGHDWPHCDQ-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO C[N@@H+](CCc1cccc(C#N)c1)Cc1ccc(Cl)nc1 ZINC000877704507 635156539 /nfs/dbraw/zinc/15/65/39/635156539.db2.gz PJBBJJUCWFLEKO-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO Cc1csc([C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)n1 ZINC000877813020 635219000 /nfs/dbraw/zinc/21/90/00/635219000.db2.gz ICOCGILIJOGEIO-HNNXBMFYSA-N 1 1 283.400 3.313 20 30 CGEDMO C=CC[C@H](C)[N@H+](C)Cc1cc(OC)c(OC)cc1C ZINC000877904585 635261435 /nfs/dbraw/zinc/26/14/35/635261435.db2.gz MGXDAJOYOYSJQL-ZDUSSCGKSA-N 1 1 263.381 3.409 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)C[C@H]1C[C@@H](OC)C1 ZINC000877907248 635262796 /nfs/dbraw/zinc/26/27/96/635262796.db2.gz UJGVPMWPHCZJFJ-BETUJISGSA-N 1 1 251.395 3.161 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000877953279 635286257 /nfs/dbraw/zinc/28/62/57/635286257.db2.gz FDOVDRQFHYONFU-MRXNPFEDSA-N 1 1 286.419 3.108 20 30 CGEDMO CC(=O)[C@@](C#N)(CC[N@H+](C)CC(C)(C)C)c1ccccc1 ZINC000878038534 635333645 /nfs/dbraw/zinc/33/36/45/635333645.db2.gz LWMMLAQHTFUQHM-SFHVURJKSA-N 1 1 286.419 3.405 20 30 CGEDMO CCC[N@@H+](Cc1ccccc1O)CC1(CC#N)CC1 ZINC000878150897 635380274 /nfs/dbraw/zinc/38/02/74/635380274.db2.gz KGABVDISGXMEHI-UHFFFAOYSA-N 1 1 258.365 3.298 20 30 CGEDMO CO[C@H]1C[C@@H](C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C1 ZINC000878153223 635382192 /nfs/dbraw/zinc/38/21/92/635382192.db2.gz MILKJHWZILQMEG-XOYOTBSWSA-N 1 1 284.403 3.183 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000878187618 635402706 /nfs/dbraw/zinc/40/27/06/635402706.db2.gz DJXBCCTXFPZJJY-RVKKMQEKSA-N 1 1 284.403 3.300 20 30 CGEDMO C#CCCCCC[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000878327854 635460745 /nfs/dbraw/zinc/46/07/45/635460745.db2.gz TZBZZVKGLUPBJV-HNNXBMFYSA-N 1 1 286.423 3.055 20 30 CGEDMO C#CCCCCC[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000878327854 635460750 /nfs/dbraw/zinc/46/07/50/635460750.db2.gz TZBZZVKGLUPBJV-HNNXBMFYSA-N 1 1 286.423 3.055 20 30 CGEDMO C#CCCCCC[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000878327854 635460758 /nfs/dbraw/zinc/46/07/58/635460758.db2.gz TZBZZVKGLUPBJV-HNNXBMFYSA-N 1 1 286.423 3.055 20 30 CGEDMO N#Cc1cccc([C@H]2C[N@H+](CCCC3CC3)CCO2)c1 ZINC000878322667 635460999 /nfs/dbraw/zinc/46/09/99/635460999.db2.gz MFTWXWKIHXTFJA-QGZVFWFLSA-N 1 1 270.376 3.122 20 30 CGEDMO N#Cc1cccc([C@H]2C[N@@H+](CCCC3CC3)CCO2)c1 ZINC000878322667 635461002 /nfs/dbraw/zinc/46/10/02/635461002.db2.gz MFTWXWKIHXTFJA-QGZVFWFLSA-N 1 1 270.376 3.122 20 30 CGEDMO N#Cc1cccc([C@@H]2C[N@H+](CCCC3CC3)CCO2)c1 ZINC000878322666 635461451 /nfs/dbraw/zinc/46/14/51/635461451.db2.gz MFTWXWKIHXTFJA-KRWDZBQOSA-N 1 1 270.376 3.122 20 30 CGEDMO N#Cc1cccc([C@@H]2C[N@@H+](CCCC3CC3)CCO2)c1 ZINC000878322666 635461457 /nfs/dbraw/zinc/46/14/57/635461457.db2.gz MFTWXWKIHXTFJA-KRWDZBQOSA-N 1 1 270.376 3.122 20 30 CGEDMO C#Cc1cccc(C[NH2+][C@H](C)c2cc3n(n2)CCCC3)c1 ZINC000842876826 635504649 /nfs/dbraw/zinc/50/46/49/635504649.db2.gz XWMUYQRJPLUYBP-CQSZACIVSA-N 1 1 279.387 3.052 20 30 CGEDMO C=CC[C@@H](C)[N@@H+](C)Cc1nc(-c2cccs2)no1 ZINC000878599157 635564563 /nfs/dbraw/zinc/56/45/63/635564563.db2.gz UZPDFVOJQOZPCZ-SNVBAGLBSA-N 1 1 263.366 3.195 20 30 CGEDMO C[N@H+](C[C@@H]1CC[C@H](c2ccccc2)O1)CC(C)(C)C#N ZINC000878650968 635590768 /nfs/dbraw/zinc/59/07/68/635590768.db2.gz RMZAZXUFTRLIMX-JKSUJKDBSA-N 1 1 272.392 3.388 20 30 CGEDMO C[N@@H+](C[C@@H]1CC[C@H](c2ccccc2)O1)CC(C)(C)C#N ZINC000878650968 635590776 /nfs/dbraw/zinc/59/07/76/635590776.db2.gz RMZAZXUFTRLIMX-JKSUJKDBSA-N 1 1 272.392 3.388 20 30 CGEDMO C=CC[C@@H](C)[NH+]1CCC(NCc2ccccc2)CC1 ZINC000878668509 635598631 /nfs/dbraw/zinc/59/86/31/635598631.db2.gz XZYQVJFCIKFGOI-OAHLLOKOSA-N 1 1 258.409 3.205 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CC[C@H](c3cccnc3)C2)cc1 ZINC000843418756 635662773 /nfs/dbraw/zinc/66/27/73/635662773.db2.gz KFZROXJMSHLJJF-SFHVURJKSA-N 1 1 262.356 3.052 20 30 CGEDMO C#CCCCCC[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000878954400 635665971 /nfs/dbraw/zinc/66/59/71/635665971.db2.gz VSLSJHXYEXPMQA-DLBZAZTESA-N 1 1 263.425 3.461 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000843423454 635667006 /nfs/dbraw/zinc/66/70/06/635667006.db2.gz DTNYJSZUIPZPRL-LBPRGKRZSA-N 1 1 292.766 3.484 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(OCC)c(OC)c2)C1 ZINC000843423991 635667807 /nfs/dbraw/zinc/66/78/07/635667807.db2.gz NMPQMZDEGFMTDV-OAHLLOKOSA-N 1 1 287.403 3.329 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000843424599 635669783 /nfs/dbraw/zinc/66/97/83/635669783.db2.gz WWOKTOBYXBRRJS-DZGCQCFKSA-N 1 1 290.432 3.230 20 30 CGEDMO C#CCCCCC[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000879000155 635676711 /nfs/dbraw/zinc/67/67/11/635676711.db2.gz MTJRRSZBTDXHKV-CALCHBBNSA-N 1 1 261.409 3.073 20 30 CGEDMO C=CC[C@H]1CC[N@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000879032050 635686685 /nfs/dbraw/zinc/68/66/85/635686685.db2.gz JCRYYHLGLLYSHS-HKUYNNGSSA-N 1 1 296.414 3.325 20 30 CGEDMO CC(C)(C#N)CCC[N@@H+]1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000879499105 635799823 /nfs/dbraw/zinc/79/98/23/635799823.db2.gz JTNGLTDHKXMALR-MRXNPFEDSA-N 1 1 298.434 3.196 20 30 CGEDMO N#Cc1cc(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)ccc1F ZINC000879529840 635805522 /nfs/dbraw/zinc/80/55/22/635805522.db2.gz WUVJTTQZIZSPLK-OKILXGFUSA-N 1 1 256.324 3.095 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879563389 635810824 /nfs/dbraw/zinc/81/08/24/635810824.db2.gz CMSQFTGYWLTBEL-JKSUJKDBSA-N 1 1 272.417 3.052 20 30 CGEDMO C=CCCC[N@@H+]1CCOC[C@@H]1c1ccc(OC)cc1 ZINC000879736667 635847497 /nfs/dbraw/zinc/84/74/97/635847497.db2.gz XCXAXNHISKRBRO-MRXNPFEDSA-N 1 1 261.365 3.035 20 30 CGEDMO Cc1cncc([C@H]2CCC[N@H+]2CCC(C)(C)C#N)c1 ZINC000879749409 635853386 /nfs/dbraw/zinc/85/33/86/635853386.db2.gz HWZKHLKXTGTRCL-OAHLLOKOSA-N 1 1 257.381 3.467 20 30 CGEDMO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](CF)C1 ZINC000880232947 635944019 /nfs/dbraw/zinc/94/40/19/635944019.db2.gz RYZQPVDZTDDFPR-GFCCVEGCSA-N 1 1 296.773 3.424 20 30 CGEDMO CCc1ccc(C[NH+]2CCN([C@@H]3CC[C@@H](C#N)C3)CC2)cc1 ZINC000880249291 635956963 /nfs/dbraw/zinc/95/69/63/635956963.db2.gz VHNNHNLXQKHEFA-RTBURBONSA-N 1 1 297.446 3.059 20 30 CGEDMO CN(C[C@H]1CCCC[N@H+]1CCCC#N)C(=O)OC(C)(C)C ZINC000880342569 635977532 /nfs/dbraw/zinc/97/75/32/635977532.db2.gz QFQSVYIWRYFUPR-CQSZACIVSA-N 1 1 295.427 3.012 20 30 CGEDMO C=CCCC[C@H]([NH2+]Cc1cnn(CC)n1)c1ccccc1 ZINC000880390518 635991941 /nfs/dbraw/zinc/99/19/41/635991941.db2.gz SCNRAJUIYDMCAD-KRWDZBQOSA-N 1 1 284.407 3.485 20 30 CGEDMO N#C[C@H]1CC[C@H]([N@H+]2CCc3cc(F)c(F)cc3C2)C1 ZINC000880443224 636000814 /nfs/dbraw/zinc/00/08/14/636000814.db2.gz CXVBTUDLXPXIOC-GWCFXTLKSA-N 1 1 262.303 3.015 20 30 CGEDMO N#C[C@H]1CC[C@H]([N@@H+]2CCc3cc(F)c(F)cc3C2)C1 ZINC000880443224 636000817 /nfs/dbraw/zinc/00/08/17/636000817.db2.gz CXVBTUDLXPXIOC-GWCFXTLKSA-N 1 1 262.303 3.015 20 30 CGEDMO CC(C)C[N@@H+](C)CCCNc1nc(Cl)c(C#N)s1 ZINC000845579177 636048712 /nfs/dbraw/zinc/04/87/12/636048712.db2.gz PWHKOXVBKVMCOE-UHFFFAOYSA-N 1 1 286.832 3.058 20 30 CGEDMO N#CC1(C[NH2+][C@H]2CCCc3cccnc32)CCCC1 ZINC000846009657 636128906 /nfs/dbraw/zinc/12/89/06/636128906.db2.gz ABRSXHIDLBBSCI-AWEZNQCLSA-N 1 1 255.365 3.133 20 30 CGEDMO Cc1nc(CO[NH+]=C(N)CCCc2ccccc2)oc1C ZINC000129174533 636194829 /nfs/dbraw/zinc/19/48/29/636194829.db2.gz AQCQAGUAMFPTJC-UHFFFAOYSA-N 1 1 287.363 3.103 20 30 CGEDMO CC[C@H](CC#N)[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F ZINC000846995015 636303580 /nfs/dbraw/zinc/30/35/80/636303580.db2.gz QYFYIQRNPGBTAP-ZWNOBZJWSA-N 1 1 286.297 3.021 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2cnc(Cl)c(F)c2)C1 ZINC000847000815 636306367 /nfs/dbraw/zinc/30/63/67/636306367.db2.gz BGTDTXRFTCCGBN-NSHDSACASA-N 1 1 266.747 3.109 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2cnc(Cl)c(F)c2)C1 ZINC000847000815 636306376 /nfs/dbraw/zinc/30/63/76/636306376.db2.gz BGTDTXRFTCCGBN-NSHDSACASA-N 1 1 266.747 3.109 20 30 CGEDMO C#C[C@H]1CCC[N@@H+]([C@@H](C)c2nc(-c3cccs3)no2)C1 ZINC000847022660 636314171 /nfs/dbraw/zinc/31/41/71/636314171.db2.gz IMOJPSNFZFSTFH-RYUDHWBXSA-N 1 1 287.388 3.204 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@@H](C)c2nc(-c3cccs3)no2)C1 ZINC000847022660 636314173 /nfs/dbraw/zinc/31/41/73/636314173.db2.gz IMOJPSNFZFSTFH-RYUDHWBXSA-N 1 1 287.388 3.204 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cccc(OC(C)(C)C)n2)C1 ZINC000847022344 636314215 /nfs/dbraw/zinc/31/42/15/636314215.db2.gz ULXXVRWBMKYBLA-CQSZACIVSA-N 1 1 272.392 3.104 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000847023519 636315314 /nfs/dbraw/zinc/31/53/14/636315314.db2.gz NGBSSNRVTRCDNS-AWEZNQCLSA-N 1 1 266.344 3.187 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000847023519 636315318 /nfs/dbraw/zinc/31/53/18/636315318.db2.gz NGBSSNRVTRCDNS-AWEZNQCLSA-N 1 1 266.344 3.187 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(CC)cc3)no2)C1 ZINC000847024980 636315758 /nfs/dbraw/zinc/31/57/58/636315758.db2.gz AWHOOODKNRPERD-OAHLLOKOSA-N 1 1 295.386 3.144 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(CC)cc3)no2)C1 ZINC000847024980 636315762 /nfs/dbraw/zinc/31/57/62/636315762.db2.gz AWHOOODKNRPERD-OAHLLOKOSA-N 1 1 295.386 3.144 20 30 CGEDMO CC(C)c1c[nH]c(C[NH2+]Cc2ccc(C#N)c(Cl)c2)n1 ZINC000883112758 636544128 /nfs/dbraw/zinc/54/41/28/636544128.db2.gz WPMVXVKJJUTPMK-UHFFFAOYSA-N 1 1 288.782 3.348 20 30 CGEDMO CC(C)(C)CCNN=C1CCC[N@H+]2CCCC[C@H]12 ZINC000848408529 636569877 /nfs/dbraw/zinc/56/98/77/636569877.db2.gz QTKFQZIPDFKGDH-CQSZACIVSA-N 1 1 251.418 3.017 20 30 CGEDMO C[C@@H](c1cccs1)c1noc([C@@H]([NH3+])CCCCC#N)n1 ZINC000848623472 636622087 /nfs/dbraw/zinc/62/20/87/636622087.db2.gz JYTKNHHXEIGSOA-QWRGUYRKSA-N 1 1 290.392 3.367 20 30 CGEDMO C[C@H](c1cccs1)c1noc([C@H]([NH3+])CCCCC#N)n1 ZINC000848623470 636622401 /nfs/dbraw/zinc/62/24/01/636622401.db2.gz JYTKNHHXEIGSOA-GHMZBOCLSA-N 1 1 290.392 3.367 20 30 CGEDMO N#Cc1c(Cl)nsc1N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848783975 636657559 /nfs/dbraw/zinc/65/75/59/636657559.db2.gz JAWRQMOPHJLYIL-GHMZBOCLSA-N 1 1 296.827 3.097 20 30 CGEDMO CCc1cccc(C[N@@H+](CCC#N)CC(C)C)c1O ZINC000848876471 636669228 /nfs/dbraw/zinc/66/92/28/636669228.db2.gz JWRGDKITDNLVBO-UHFFFAOYSA-N 1 1 260.381 3.326 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cnn(-c3ccccc3C)c2)C1 ZINC000848923605 636694382 /nfs/dbraw/zinc/69/43/82/636694382.db2.gz GVQLNQNTDZQLNH-MRXNPFEDSA-N 1 1 279.387 3.026 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC000848924146 636695514 /nfs/dbraw/zinc/69/55/14/636695514.db2.gz OPPQFPLNSJSDRI-OAHLLOKOSA-N 1 1 273.424 3.100 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(OCC=C)cc2)C1 ZINC000848923805 636695954 /nfs/dbraw/zinc/69/59/54/636695954.db2.gz QFMPVFOKNUVRHP-HNNXBMFYSA-N 1 1 255.361 3.097 20 30 CGEDMO CSC[C@@H]1CCC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000135441441 637132800 /nfs/dbraw/zinc/13/28/00/637132800.db2.gz UJQHRIARQDIZFC-HNNXBMFYSA-N 1 1 290.432 3.155 20 30 CGEDMO C[C@@H](c1ccccc1)[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000885937476 637321119 /nfs/dbraw/zinc/32/11/19/637321119.db2.gz AAIOEMPCOVACPZ-HOCLYGCPSA-N 1 1 272.392 3.124 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)C[C@@H]1C[C@]12CCOC2 ZINC000885967400 637336394 /nfs/dbraw/zinc/33/63/94/637336394.db2.gz NUEVXUZUNVWRHH-ROUUACIJSA-N 1 1 271.404 3.144 20 30 CGEDMO CC[C@H](C)[C@H]1CCCC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886017013 637366234 /nfs/dbraw/zinc/36/62/34/637366234.db2.gz QGPKLHSTBRYZOB-HRCADAONSA-N 1 1 278.440 3.332 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000886019203 637366969 /nfs/dbraw/zinc/36/69/69/637366969.db2.gz OCRUCYNDMAJMRQ-HNNXBMFYSA-N 1 1 264.413 3.109 20 30 CGEDMO CCC1CCC([N@@H+](C)C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000886030270 637373826 /nfs/dbraw/zinc/37/38/26/637373826.db2.gz IDDMQTJRGIVPBM-UYSNPLJNSA-N 1 1 278.440 3.332 20 30 CGEDMO C[C@@H]1c2ccccc2C[N@@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886030752 637375152 /nfs/dbraw/zinc/37/51/52/637375152.db2.gz TWCPXLCQZDOYGE-UKRRQHHQSA-N 1 1 270.376 3.008 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@H+]2CC[C@H]2c2cccc(F)c2)CCC1 ZINC000886032424 637375620 /nfs/dbraw/zinc/37/56/20/637375620.db2.gz GILIFKREAXDRMM-CVEARBPZSA-N 1 1 288.366 3.017 20 30 CGEDMO CCC1(CC)C[N@@H+](C[C@@H](O)CC2(C#N)CCC2)CCS1 ZINC000886136062 637430203 /nfs/dbraw/zinc/43/02/03/637430203.db2.gz FCMUPRIVYRUAPA-AWEZNQCLSA-N 1 1 296.480 3.039 20 30 CGEDMO Cc1cc(C)c2c(c1)C[N@H+](C[C@H](O)CC1(C#N)CCC1)CC2 ZINC000886145283 637434581 /nfs/dbraw/zinc/43/45/81/637434581.db2.gz UDBVTLILLFDKOJ-QGZVFWFLSA-N 1 1 298.430 3.106 20 30 CGEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@@H](c3ccccc3)C2)CCC1 ZINC000886215395 637460288 /nfs/dbraw/zinc/46/02/88/637460288.db2.gz JRJDJAULDAUXMA-MSOLQXFVSA-N 1 1 298.430 3.311 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000886265382 637471929 /nfs/dbraw/zinc/47/19/29/637471929.db2.gz HHXTXQRCKGMWKA-HOTGVXAUSA-N 1 1 261.409 3.071 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2cc(C3CC3)no2)cc1 ZINC000886272367 637476556 /nfs/dbraw/zinc/47/65/56/637476556.db2.gz NZZDWGJFQBTNAP-GFCCVEGCSA-N 1 1 297.358 3.133 20 30 CGEDMO C#CCOCC[N@@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000851799693 637507958 /nfs/dbraw/zinc/50/79/58/637507958.db2.gz PHNKTFWNEWLJMM-INIZCTEOSA-N 1 1 261.340 3.003 20 30 CGEDMO C#CC[C@H]1CC[N@H+]([C@@H](C)c2nc(-c3ccccc3C)no2)C1 ZINC000886357822 637512200 /nfs/dbraw/zinc/51/22/00/637512200.db2.gz MHPLQTHCBDGRLD-GJZGRUSLSA-N 1 1 295.386 3.451 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000886360364 637513201 /nfs/dbraw/zinc/51/32/01/637513201.db2.gz VCGWBIFSRDBTDH-LBPRGKRZSA-N 1 1 290.313 3.005 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cnc(OC)c3ccccc23)C1 ZINC000886365136 637513718 /nfs/dbraw/zinc/51/37/18/637513718.db2.gz ANKNMMPLLHNZAM-CQSZACIVSA-N 1 1 280.371 3.089 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000886363745 637514332 /nfs/dbraw/zinc/51/43/32/637514332.db2.gz BFQBOZKHIVDCTC-GFCCVEGCSA-N 1 1 258.752 3.057 20 30 CGEDMO Cc1ccccc1[C@@H](CO)[N@H+](C)Cc1cc(C#N)ccc1F ZINC000886431812 637529790 /nfs/dbraw/zinc/52/97/90/637529790.db2.gz HOQORPVIPBAAPV-GOSISDBHSA-N 1 1 298.361 3.171 20 30 CGEDMO Cc1ccccc1[C@@H](CO)[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000886431812 637529797 /nfs/dbraw/zinc/52/97/97/637529797.db2.gz HOQORPVIPBAAPV-GOSISDBHSA-N 1 1 298.361 3.171 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000851986101 637565983 /nfs/dbraw/zinc/56/59/83/637565983.db2.gz BNKPXPIGBDZHMU-UHFFFAOYSA-N 1 1 280.293 3.421 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)C[C@@H](CC)CC(F)F)n1 ZINC000851996314 637566638 /nfs/dbraw/zinc/56/66/38/637566638.db2.gz MROGQUXBLDAANS-ZDUSSCGKSA-N 1 1 283.366 3.020 20 30 CGEDMO C#C[C@@](C)(CC)[NH2+][C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000852098933 637592140 /nfs/dbraw/zinc/59/21/40/637592140.db2.gz ZMVFTVHKAFRNTB-LRDDRELGSA-N 1 1 269.348 3.189 20 30 CGEDMO C#C[C@](C)(CC)[NH2+]Cc1ccc(Cl)nc1Cl ZINC000852103216 637597247 /nfs/dbraw/zinc/59/72/47/637597247.db2.gz ALRUXLSNZPLVEJ-GFCCVEGCSA-N 1 1 257.164 3.280 20 30 CGEDMO CCCCCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000852318775 637632813 /nfs/dbraw/zinc/63/28/13/637632813.db2.gz AXUBTHZWUHNDCW-HOTGVXAUSA-N 1 1 293.455 3.087 20 30 CGEDMO CCCCCC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000852318775 637632815 /nfs/dbraw/zinc/63/28/15/637632815.db2.gz AXUBTHZWUHNDCW-HOTGVXAUSA-N 1 1 293.455 3.087 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2ccc3nonc3c2)C1 ZINC000852410194 637647207 /nfs/dbraw/zinc/64/72/07/637647207.db2.gz JMPODIJIFSHWQT-GFCCVEGCSA-N 1 1 257.337 3.011 20 30 CGEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000852408836 637647958 /nfs/dbraw/zinc/64/79/58/637647958.db2.gz BMXRMAGXOGEOFX-CYBMUJFWSA-N 1 1 258.340 3.485 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H](Cc2nc(C)cs2)C1 ZINC000886694558 637659652 /nfs/dbraw/zinc/65/96/52/637659652.db2.gz YFTYSHXYCSMYHC-HUUCEWRRSA-N 1 1 294.464 3.033 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](Cc2nc(C)cs2)C1 ZINC000886694557 637660693 /nfs/dbraw/zinc/66/06/93/637660693.db2.gz YFTYSHXYCSMYHC-GJZGRUSLSA-N 1 1 294.464 3.033 20 30 CGEDMO C=C(Br)C[N@H+]1CC[C@@H](N(C)c2ccccc2)C1 ZINC000852654780 637691776 /nfs/dbraw/zinc/69/17/76/637691776.db2.gz POCOVWGEKRBRSM-CQSZACIVSA-N 1 1 295.224 3.106 20 30 CGEDMO C=C(Br)C[N@@H+]1CC[C@@H](N(C)c2ccccc2)C1 ZINC000852654780 637691780 /nfs/dbraw/zinc/69/17/80/637691780.db2.gz POCOVWGEKRBRSM-CQSZACIVSA-N 1 1 295.224 3.106 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)c1cc(F)ccc1F ZINC000852685371 637695902 /nfs/dbraw/zinc/69/59/02/637695902.db2.gz GJGTVMQJEQDXFS-ZENOOKHLSA-N 1 1 279.330 3.181 20 30 CGEDMO CC[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000852710951 637697791 /nfs/dbraw/zinc/69/77/91/637697791.db2.gz BFQORJCROLJYRC-XKQJLSEDSA-N 1 1 272.392 3.245 20 30 CGEDMO CCCCC[C@H]1CCCC[N@H+]1CCO[C@H](C)C#N ZINC000852710903 637698293 /nfs/dbraw/zinc/69/82/93/637698293.db2.gz ATDYHWFYIDSRNG-CABCVRRESA-N 1 1 252.402 3.350 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1cc(-c2ccc(C)cc2)no1 ZINC000852752894 637705821 /nfs/dbraw/zinc/70/58/21/637705821.db2.gz PUJOGGFLARZHFR-UHFFFAOYSA-N 1 1 298.386 3.122 20 30 CGEDMO Cc1cc(O)c(C[N@H+]2CCC[C@H](CC#N)C2)cc1C ZINC000853526024 637861754 /nfs/dbraw/zinc/86/17/54/637861754.db2.gz LUBDDIZWLNUOBS-CQSZACIVSA-N 1 1 258.365 3.135 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1C(=O)[C@@H](C)[C@@H]1c1ccccc1 ZINC000853598413 637871272 /nfs/dbraw/zinc/87/12/72/637871272.db2.gz QQYCVHIMDZEGCG-DZJNRPSUSA-N 1 1 296.414 3.347 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1cc(C(C)C)c(C)cc1O ZINC000853619518 637874198 /nfs/dbraw/zinc/87/41/98/637874198.db2.gz FGCNJECEAUUQIQ-UHFFFAOYSA-N 1 1 289.419 3.296 20 30 CGEDMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1nc2ccccc2cc1C#N ZINC000853747281 637907896 /nfs/dbraw/zinc/90/78/96/637907896.db2.gz PGILBSXEKKYIAG-OAHLLOKOSA-N 1 1 294.402 3.391 20 30 CGEDMO CCCCCCCCNC(=O)N(CC)[C@H]1CC[N@@H+](C)C1 ZINC000853901629 637951596 /nfs/dbraw/zinc/95/15/96/637951596.db2.gz GGYGZXOKRQWWFR-HNNXBMFYSA-N 1 1 283.460 3.083 20 30 CGEDMO C=CCCONC(=O)c1ccc(C[N@H+](CC)CCC)cc1 ZINC000856031592 638287017 /nfs/dbraw/zinc/28/70/17/638287017.db2.gz WHULHCQPOGXYQW-UHFFFAOYSA-N 1 1 290.407 3.156 20 30 CGEDMO CC(C)n1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)nn1 ZINC000924786669 638404609 /nfs/dbraw/zinc/40/46/09/638404609.db2.gz SNDALBAJOIFNDH-QWHCGFSZSA-N 1 1 283.379 3.142 20 30 CGEDMO C=CC[C@H](C)NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857128135 638459309 /nfs/dbraw/zinc/45/93/09/638459309.db2.gz CJDHIAUHJLNSLF-YOEHRIQHSA-N 1 1 286.419 3.190 20 30 CGEDMO C=C(C)CN(C)C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857174395 638467090 /nfs/dbraw/zinc/46/70/90/638467090.db2.gz NBAGTHDUYOGLLZ-KRWDZBQOSA-N 1 1 286.419 3.144 20 30 CGEDMO C=C(CC)CNC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857281100 638487955 /nfs/dbraw/zinc/48/79/55/638487955.db2.gz BNEHIRCDWQSCQG-QGZVFWFLSA-N 1 1 286.419 3.192 20 30 CGEDMO C=CC[C@H](Cc1ccccc1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000925692123 638570863 /nfs/dbraw/zinc/57/08/63/638570863.db2.gz PTIOVZUOVMMOTP-IAGOWNOFSA-N 1 1 270.420 3.048 20 30 CGEDMO C=CCC[C@@H](c1ccco1)N1CCC([NH3+])(CC)CC1 ZINC000925760971 638601506 /nfs/dbraw/zinc/60/15/06/638601506.db2.gz VQJDHFKBWZSRIU-AWEZNQCLSA-N 1 1 262.397 3.490 20 30 CGEDMO N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925847651 638632707 /nfs/dbraw/zinc/63/27/07/638632707.db2.gz XTUOJQYAAWXGEH-IPMKNSEASA-N 1 1 295.430 3.057 20 30 CGEDMO Cc1cccc([C@@H]([NH2+]CCCC#N)c2ccccn2)c1 ZINC000926133399 638718255 /nfs/dbraw/zinc/71/82/55/638718255.db2.gz RVTYGXNCGBGVPC-QGZVFWFLSA-N 1 1 265.360 3.373 20 30 CGEDMO C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1cc(CO)on1 ZINC000926480114 638775310 /nfs/dbraw/zinc/77/53/10/638775310.db2.gz OPRXLQLBARPNDO-BBRMVZONSA-N 1 1 299.374 3.253 20 30 CGEDMO C=CCn1cc(C[NH2+][C@@H](C)c2coc3ccccc23)nn1 ZINC000926615868 638791367 /nfs/dbraw/zinc/79/13/67/638791367.db2.gz SIRIZRSHPLKTCQ-LBPRGKRZSA-N 1 1 282.347 3.061 20 30 CGEDMO CC[C@@H]([NH2+]CC1(C#N)CCCC1)c1cccc(OC)n1 ZINC000926874326 638820125 /nfs/dbraw/zinc/82/01/25/638820125.db2.gz OVKNORAYVNTTLI-CYBMUJFWSA-N 1 1 273.380 3.215 20 30 CGEDMO C[C@H](NCC1(C#N)CCCC1)c1cccc(C[NH+](C)C)c1 ZINC000926875486 638820146 /nfs/dbraw/zinc/82/01/46/638820146.db2.gz ZVJMZESGXDTDOU-HNNXBMFYSA-N 1 1 285.435 3.483 20 30 CGEDMO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1c2ccccc2OC[C@H]1F ZINC000926891510 638822166 /nfs/dbraw/zinc/82/21/66/638822166.db2.gz YXIRVQUKFTYNHE-UXIGCNINSA-N 1 1 276.355 3.376 20 30 CGEDMO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)Cc1cncc(C#N)c1 ZINC000929161345 638903914 /nfs/dbraw/zinc/90/39/14/638903914.db2.gz WVTMETISNCJGIH-LLVKDONJSA-N 1 1 287.313 3.424 20 30 CGEDMO C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)Cc1cncc(C#N)c1 ZINC000929161345 638903917 /nfs/dbraw/zinc/90/39/17/638903917.db2.gz WVTMETISNCJGIH-LLVKDONJSA-N 1 1 287.313 3.424 20 30 CGEDMO C[C@H](c1ccc(F)nc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000929162973 638904040 /nfs/dbraw/zinc/90/40/40/638904040.db2.gz XXLCFRRCSOFJKG-GFCCVEGCSA-N 1 1 269.323 3.285 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCC[C@H]2Cc2ccccc2)c1 ZINC000929160560 638904180 /nfs/dbraw/zinc/90/41/80/638904180.db2.gz JHFQEOHGGKQIND-SFHVURJKSA-N 1 1 277.371 3.160 20 30 CGEDMO C#CC[N@H+](Cc1cncc(C#N)c1)[C@@H]1CCc2ccccc21 ZINC000929334731 638919299 /nfs/dbraw/zinc/91/92/99/638919299.db2.gz PNCLASCFKNKVGR-LJQANCHMSA-N 1 1 287.366 3.076 20 30 CGEDMO C#CC[N@@H+](Cc1cncc(C#N)c1)[C@@H]1CCc2ccccc21 ZINC000929334731 638919302 /nfs/dbraw/zinc/91/93/02/638919302.db2.gz PNCLASCFKNKVGR-LJQANCHMSA-N 1 1 287.366 3.076 20 30 CGEDMO N#CC1(CCCC[N@@H+]2CCC[C@@H]2CN2CCCC2)CCC1 ZINC000929479168 638927399 /nfs/dbraw/zinc/92/73/99/638927399.db2.gz GJTSRBTVILPXPL-QGZVFWFLSA-N 1 1 289.467 3.411 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCC[C@@H]2CN2CCCC2)CCC1 ZINC000929479168 638927402 /nfs/dbraw/zinc/92/74/02/638927402.db2.gz GJTSRBTVILPXPL-QGZVFWFLSA-N 1 1 289.467 3.411 20 30 CGEDMO COC(=O)[C@@H](C)C[N@@H+](CCCCC1(C#N)CCC1)C1CC1 ZINC000929481308 638927613 /nfs/dbraw/zinc/92/76/13/638927613.db2.gz ZDAMDVKELBJKQS-AWEZNQCLSA-N 1 1 292.423 3.124 20 30 CGEDMO CCC[C@](C)([NH2+]CCCCC1(C#N)CCC1)C(=O)OC ZINC000929669814 638938912 /nfs/dbraw/zinc/93/89/12/638938912.db2.gz LPLPXSJKKAMAFF-HNNXBMFYSA-N 1 1 280.412 3.172 20 30 CGEDMO N#CC1(CCCC[N@@H+]2CC[C@@H](C(F)F)C2)CCC1 ZINC000930127058 638976217 /nfs/dbraw/zinc/97/62/17/638976217.db2.gz NIVZPOBYYFXPSK-GFCCVEGCSA-N 1 1 256.340 3.438 20 30 CGEDMO C=CC[N@@H+](Cc1cnc(-c2ccccc2)o1)C1CC1 ZINC000930176006 638979804 /nfs/dbraw/zinc/97/98/04/638979804.db2.gz OEICEHJISKUQIM-UHFFFAOYSA-N 1 1 254.333 3.492 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000930265274 638987117 /nfs/dbraw/zinc/98/71/17/638987117.db2.gz UUJCNOXWUZSQNI-WOPDTQHZSA-N 1 1 263.303 3.137 20 30 CGEDMO Cc1ccncc1C[N@@H+](C)CC1CCC(C#N)CC1 ZINC000930290317 638988894 /nfs/dbraw/zinc/98/88/94/638988894.db2.gz AWJVYHOKAOFTSR-UHFFFAOYSA-N 1 1 257.381 3.152 20 30 CGEDMO Cn1nccc1[C@@H]1CCCC[N@H+]1CC1CCC(C#N)CC1 ZINC000930305386 638989806 /nfs/dbraw/zinc/98/98/06/638989806.db2.gz CQMLBMQZAGUEKN-DQPZFDDXSA-N 1 1 286.423 3.277 20 30 CGEDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1c(C)cc(C#N)cc1C ZINC000930454902 639001032 /nfs/dbraw/zinc/00/10/32/639001032.db2.gz ZUBKAVWDHFTZBF-HRAJDOBDSA-N 1 1 296.414 3.030 20 30 CGEDMO C[C@@H]1C[C@H](N2CCCC2)C[N@@H+]1CCCCC1(C#N)CCC1 ZINC000930456942 639002435 /nfs/dbraw/zinc/00/24/35/639002435.db2.gz KDIUXZYYCHHTHE-SJORKVTESA-N 1 1 289.467 3.409 20 30 CGEDMO C[C@@H]1C[C@H](N2CCCC2)C[N@H+]1CCCCC1(C#N)CCC1 ZINC000930456942 639002441 /nfs/dbraw/zinc/00/24/41/639002441.db2.gz KDIUXZYYCHHTHE-SJORKVTESA-N 1 1 289.467 3.409 20 30 CGEDMO C=C(C)C[N@H+](C/C=C(\C)COC)Cc1cnn(C(C)C)c1 ZINC000930460279 639004238 /nfs/dbraw/zinc/00/42/38/639004238.db2.gz MFGACMYVVKOJFO-FRKPEAEDSA-N 1 1 291.439 3.435 20 30 CGEDMO N#CCCC[C@@H]([NH2+]Cc1nncs1)c1ccccc1 ZINC000930568258 639028525 /nfs/dbraw/zinc/02/85/25/639028525.db2.gz FPXJUDGDRYHFND-CYBMUJFWSA-N 1 1 272.377 3.063 20 30 CGEDMO C[N@@H+](CCCOc1ccc(C#N)cc1)Cc1ccco1 ZINC000035701946 639047870 /nfs/dbraw/zinc/04/78/70/639047870.db2.gz WYRXSTGDNVNCNQ-UHFFFAOYSA-N 1 1 270.332 3.052 20 30 CGEDMO N#Cc1cc(Cl)cc(C[N@@H+](C2CC2)C2(CO)CCC2)c1 ZINC000930691253 639053618 /nfs/dbraw/zinc/05/36/18/639053618.db2.gz DXSCMPKFMJKGED-UHFFFAOYSA-N 1 1 290.794 3.091 20 30 CGEDMO C=CC[N@@H+](Cc1cnc(-c2ccccc2)o1)[C@H](C)COC ZINC000930933210 639088238 /nfs/dbraw/zinc/08/82/38/639088238.db2.gz SQVNRPNYMXAOLQ-CQSZACIVSA-N 1 1 286.375 3.365 20 30 CGEDMO C=CC[N@@H+](C[C@@H]1CCC[C@@H](C(F)(F)F)O1)[C@H](C)COC ZINC000930932425 639088620 /nfs/dbraw/zinc/08/86/20/639088620.db2.gz KSGVHCJNXJUFSS-AGIUHOORSA-N 1 1 295.345 3.009 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)c1cccc(C)c1 ZINC000931061696 639106242 /nfs/dbraw/zinc/10/62/42/639106242.db2.gz BTCBMOCHDDKZOO-BBWFWOEESA-N 1 1 257.377 3.211 20 30 CGEDMO COC[C@H](C[N@H+]1CCc2c(CC#N)cccc2C1)C(C)C ZINC000931332534 639136712 /nfs/dbraw/zinc/13/67/12/639136712.db2.gz HDUKXCUDKMMZKK-KRWDZBQOSA-N 1 1 286.419 3.029 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2nnc(-c3cccc(F)c3)o2)C1 ZINC000859444706 639142176 /nfs/dbraw/zinc/14/21/76/639142176.db2.gz XOKNBQOOKVDTAD-GFCCVEGCSA-N 1 1 287.338 3.274 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2cc(=O)oc3c(C)c(O)ccc23)C1 ZINC000859445531 639143259 /nfs/dbraw/zinc/14/32/59/639143259.db2.gz PVGMALZSEIMKLF-ZDUSSCGKSA-N 1 1 299.370 3.205 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000859609850 639173346 /nfs/dbraw/zinc/17/33/46/639173346.db2.gz CDNIUCFEGUZGHL-JQWIXIFHSA-N 1 1 273.804 3.039 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000859609850 639173349 /nfs/dbraw/zinc/17/33/49/639173349.db2.gz CDNIUCFEGUZGHL-JQWIXIFHSA-N 1 1 273.804 3.039 20 30 CGEDMO N#CC1CCC(C[N@@H+](CC(F)F)C2CCC2)CC1 ZINC000931763308 639203114 /nfs/dbraw/zinc/20/31/14/639203114.db2.gz YYCWAZKZONAITQ-UHFFFAOYSA-N 1 1 256.340 3.436 20 30 CGEDMO N#CC1CCC(C[N@H+](CC(F)F)C2CCC2)CC1 ZINC000931763308 639203120 /nfs/dbraw/zinc/20/31/20/639203120.db2.gz YYCWAZKZONAITQ-UHFFFAOYSA-N 1 1 256.340 3.436 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CC[C@@H](c2ccc(F)cc2)C1(C)C ZINC000859805168 639220417 /nfs/dbraw/zinc/22/04/17/639220417.db2.gz LOHHDSSQJUPXMA-BBRMVZONSA-N 1 1 290.382 3.322 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931913658 639227892 /nfs/dbraw/zinc/22/78/92/639227892.db2.gz NPMYJCXJQANPOE-ZDUSSCGKSA-N 1 1 298.283 3.425 20 30 CGEDMO N#Cc1ccccc1C[N@@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931913658 639227898 /nfs/dbraw/zinc/22/78/98/639227898.db2.gz NPMYJCXJQANPOE-ZDUSSCGKSA-N 1 1 298.283 3.425 20 30 CGEDMO N#CCC[C@@H](C#N)C[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859932004 639257906 /nfs/dbraw/zinc/25/79/06/639257906.db2.gz ZQBUBQKEEKFPCU-LEUOFYLZSA-N 1 1 279.387 3.165 20 30 CGEDMO N#CCSCCC[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000932200758 639295128 /nfs/dbraw/zinc/29/51/28/639295128.db2.gz LQEYGRQIUCVDOX-CYBMUJFWSA-N 1 1 295.477 3.044 20 30 CGEDMO C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCOCCC#N ZINC000932276961 639312733 /nfs/dbraw/zinc/31/27/33/639312733.db2.gz ZAYIKRVGSCOHRW-NVXWUHKLSA-N 1 1 272.392 3.185 20 30 CGEDMO C=C(Br)C[N@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000933075889 639412484 /nfs/dbraw/zinc/41/24/84/639412484.db2.gz COYFDDNKRNCMDU-ZDUSSCGKSA-N 1 1 288.229 3.034 20 30 CGEDMO C=CCCC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000117881476 639482101 /nfs/dbraw/zinc/48/21/01/639482101.db2.gz TWXWJVNFHMJBFF-MRXNPFEDSA-N 1 1 275.392 3.339 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCCSC[C@@H]2C)cc1C#N ZINC000934296310 639572144 /nfs/dbraw/zinc/57/21/44/639572144.db2.gz CVKABNGSZSBFCV-ZDUSSCGKSA-N 1 1 260.406 3.194 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@@H](Cc3nccs3)C2)cc1C#N ZINC000934332260 639586510 /nfs/dbraw/zinc/58/65/10/639586510.db2.gz QMCZMRNHPKEXTN-HNNXBMFYSA-N 1 1 297.427 3.388 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1CC(=O)Nc1c(C)cccc1CC ZINC000934470677 639614691 /nfs/dbraw/zinc/61/46/91/639614691.db2.gz PQXMDWSDIOZKTL-HNNXBMFYSA-N 1 1 272.392 3.146 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1CC(=O)Nc1c(C)cccc1CC ZINC000934470677 639614696 /nfs/dbraw/zinc/61/46/96/639614696.db2.gz PQXMDWSDIOZKTL-HNNXBMFYSA-N 1 1 272.392 3.146 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1 ZINC000934886053 639702871 /nfs/dbraw/zinc/70/28/71/639702871.db2.gz CINXXWQTOJBLCG-GUYCJALGSA-N 1 1 299.418 3.324 20 30 CGEDMO C#Cc1ccc(NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)cc1 ZINC000934935649 639719567 /nfs/dbraw/zinc/71/95/67/639719567.db2.gz MFMFDDOJJRWQDS-UHFFFAOYSA-N 1 1 299.418 3.006 20 30 CGEDMO CCCOC(=O)[C@@H](C)[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000159316377 640039362 /nfs/dbraw/zinc/03/93/62/640039362.db2.gz QUHJPUFEUFLLQA-UONOGXRCSA-N 1 1 288.391 3.283 20 30 CGEDMO CCCOC(=O)[C@@H](C)[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000159316377 640039367 /nfs/dbraw/zinc/03/93/67/640039367.db2.gz QUHJPUFEUFLLQA-UONOGXRCSA-N 1 1 288.391 3.283 20 30 CGEDMO Cc1nc(CO[NH+]=C(N)C2CCCCC2)nc2ccccc12 ZINC000193586214 640476820 /nfs/dbraw/zinc/47/68/20/640476820.db2.gz DJGBVFSRYGQZSK-UHFFFAOYSA-N 1 1 298.390 3.307 20 30 CGEDMO CCCCCCC[N@@H+](C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000246092401 640656708 /nfs/dbraw/zinc/65/67/08/640656708.db2.gz HEYQKUFGIIFEDZ-HUUCEWRRSA-N 1 1 289.485 3.244 20 30 CGEDMO CC#CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000248388127 640754051 /nfs/dbraw/zinc/75/40/51/640754051.db2.gz CYGLQNKNUNFSGK-LSDHHAIUSA-N 1 1 294.439 3.025 20 30 CGEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCS[C@@H](C)CC2)cc1 ZINC000248665346 640773536 /nfs/dbraw/zinc/77/35/36/640773536.db2.gz LYUQVJAEHRZJHD-KGLIPLIRSA-N 1 1 290.432 3.305 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001007331289 640941294 /nfs/dbraw/zinc/94/12/94/640941294.db2.gz IIPLHQNNFYHLEL-JKSUJKDBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCCC23CC3)C1 ZINC001007621478 640943618 /nfs/dbraw/zinc/94/36/18/640943618.db2.gz XQCVDCPLGNIZCM-JKSUJKDBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C2(C)CCCC2)C1 ZINC001008092899 640946919 /nfs/dbraw/zinc/94/69/19/640946919.db2.gz CMSZVYWBNDTJJM-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CCC[N@H+](CCCC)C2)CC1 ZINC001008418577 640950392 /nfs/dbraw/zinc/95/03/92/640950392.db2.gz OWSMCYKVIQIILA-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC3CCC3)C2)CC1 ZINC001008418599 640950401 /nfs/dbraw/zinc/95/04/01/640950401.db2.gz PFFKUWBLBLNKKI-QGZVFWFLSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+](CCCC)C2)CC1 ZINC001008418580 640950457 /nfs/dbraw/zinc/95/04/57/640950457.db2.gz OWSMCYKVIQIILA-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2C2(C)CC2)C1 ZINC001008502444 640952203 /nfs/dbraw/zinc/95/22/03/640952203.db2.gz PPJATZCDVKZLOO-HNNXBMFYSA-N 1 1 298.430 3.118 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CCCC(C)(C)C2)C1 ZINC001009199573 640956425 /nfs/dbraw/zinc/95/64/25/640956425.db2.gz FRFGUFYQZZRZDE-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2coc3c2cccc3C)C1 ZINC001014738610 640975266 /nfs/dbraw/zinc/97/52/66/640975266.db2.gz XTAPEVPBMZCKCI-AWEZNQCLSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2CCCCCCC2)C1 ZINC001015215625 640978029 /nfs/dbraw/zinc/97/80/29/640978029.db2.gz MAPQWZHVZRMJIR-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)c(Cl)c2)C1 ZINC001015644887 640983292 /nfs/dbraw/zinc/98/32/92/640983292.db2.gz YVLOEONUQNHQFQ-CQSZACIVSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC001016086937 640991298 /nfs/dbraw/zinc/99/12/98/640991298.db2.gz YHPIKXLBPRRJCT-GOSISDBHSA-N 1 1 294.398 3.220 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc3ccccc3c2)C1 ZINC001016086939 640991639 /nfs/dbraw/zinc/99/16/39/640991639.db2.gz YHPIKXLBPRRJCT-SFHVURJKSA-N 1 1 294.398 3.220 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)c2oc3c(cccc3C)c2C)C1 ZINC001016341588 640995572 /nfs/dbraw/zinc/99/55/72/640995572.db2.gz QTKZQPQSPUOJED-AWEZNQCLSA-N 1 1 298.386 3.040 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2oc3c(cccc3C)c2C)C1 ZINC001016341588 640995574 /nfs/dbraw/zinc/99/55/74/640995574.db2.gz QTKZQPQSPUOJED-AWEZNQCLSA-N 1 1 298.386 3.040 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cc3cccc(C)c3o2)C1 ZINC001016345195 640995659 /nfs/dbraw/zinc/99/56/59/640995659.db2.gz ZIBWJZJBJBFYRP-HNNXBMFYSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1=CCCCC1 ZINC001017414768 641012558 /nfs/dbraw/zinc/01/25/58/641012558.db2.gz RJSMDZWLHYUJQQ-CALCHBBNSA-N 1 1 288.435 3.128 20 30 CGEDMO N#Cc1ccc(C2=CCC[N@@H+](Cc3ccccc3)C2)nc1 ZINC001250460775 805630276 /nfs/dbraw/zinc/63/02/76/805630276.db2.gz JPPHHSFBYLUSRU-UHFFFAOYSA-N 1 1 275.355 3.243 20 30 CGEDMO Cc1ccc(CC#N)c(N2CCC[C@@H]2c2ccccn2)[nH+]1 ZINC001156034127 805643115 /nfs/dbraw/zinc/64/31/15/805643115.db2.gz ZTSGSKWSXILPLB-MRXNPFEDSA-N 1 1 278.359 3.193 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1ccc(Cl)cc1 ZINC001156548873 805713744 /nfs/dbraw/zinc/71/37/44/805713744.db2.gz MYZWPFGEIVECSY-CYBMUJFWSA-N 1 1 294.826 3.356 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)CNC(=O)CCCCCCCC ZINC001156548714 805714589 /nfs/dbraw/zinc/71/45/89/805714589.db2.gz CJIONKXFDXTDCE-MRXNPFEDSA-N 1 1 280.456 3.197 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)c1ccc(CC)cc1 ZINC001156694819 805726678 /nfs/dbraw/zinc/72/66/78/805726678.db2.gz WJDXSZBJHUSHDI-OAHLLOKOSA-N 1 1 288.435 3.265 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)CCC1CCCCC1 ZINC001156712539 805727330 /nfs/dbraw/zinc/72/73/30/805727330.db2.gz WYSMQHPRAPWVIG-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(F)cc1Cl ZINC001156712180 805727674 /nfs/dbraw/zinc/72/76/74/805727674.db2.gz IUXYQGDPKXPDKG-LLVKDONJSA-N 1 1 298.789 3.105 20 30 CGEDMO C[C@H](Nc1[nH+]ccc2[nH]cc(C#N)c21)c1cccc(C#N)c1 ZINC001156873930 805743869 /nfs/dbraw/zinc/74/38/69/805743869.db2.gz QMJMHZOHSNQVER-NSHDSACASA-N 1 1 287.326 3.479 20 30 CGEDMO C=CCCCC[N@H+](C)C[C@@H](O)c1cccc(OC)c1 ZINC001250714418 805761640 /nfs/dbraw/zinc/76/16/40/805761640.db2.gz QNRSLBLVFXICRY-MRXNPFEDSA-N 1 1 263.381 3.017 20 30 CGEDMO C#CCN(CC#C)c1ccc([C@H]2CCCC[N@@H+]2CCC)cn1 ZINC001157564026 805835888 /nfs/dbraw/zinc/83/58/88/805835888.db2.gz PJXAQASYGYQSIE-GOSISDBHSA-N 1 1 295.430 3.091 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)/C=C/C(C)(C)C ZINC001157711690 805856114 /nfs/dbraw/zinc/85/61/14/805856114.db2.gz WGXKPDAVXMPGHU-SIFUEBAJSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@H](C)CC ZINC001157892866 805901771 /nfs/dbraw/zinc/90/17/71/805901771.db2.gz RDVNTEZVSLQESU-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO CC#CCCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC(C)C ZINC001158357144 805944474 /nfs/dbraw/zinc/94/44/74/805944474.db2.gz ASSHDGXOXXUHAM-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)CC[C@H](C)CC ZINC001158631640 805979780 /nfs/dbraw/zinc/97/97/80/805979780.db2.gz VPHQEAKMOOQWNL-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC12CCCC2 ZINC001158714551 805988373 /nfs/dbraw/zinc/98/83/73/805988373.db2.gz SWWXAYIYBCFVTQ-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1C[C@H](C)N(C)C[C@H]1C ZINC001252127058 806013064 /nfs/dbraw/zinc/01/30/64/806013064.db2.gz WDNIJDOUBRVIAI-GVDBMIGSSA-N 1 1 284.488 3.122 20 30 CGEDMO CCCCCCCC[C@@H](O)CN1C[C@H](C)[N@H+](C)C[C@H]1C ZINC001252127058 806013074 /nfs/dbraw/zinc/01/30/74/806013074.db2.gz WDNIJDOUBRVIAI-GVDBMIGSSA-N 1 1 284.488 3.122 20 30 CGEDMO CCCCCCCC[C@@H](O)CN1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC001252127058 806013082 /nfs/dbraw/zinc/01/30/82/806013082.db2.gz WDNIJDOUBRVIAI-GVDBMIGSSA-N 1 1 284.488 3.122 20 30 CGEDMO CCCCCCCC[C@H](O)C[NH+]1CC(N2CCCCC2)C1 ZINC001252130335 806015337 /nfs/dbraw/zinc/01/53/37/806015337.db2.gz OOMLLMHFXNPDFL-SFHVURJKSA-N 1 1 296.499 3.268 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CC[C@@H](N2CCCC2)C1 ZINC001252129800 806015829 /nfs/dbraw/zinc/01/58/29/806015829.db2.gz DTCMORZCIKHXGD-QZTJIDSGSA-N 1 1 296.499 3.268 20 30 CGEDMO CCCCCCCC[C@@H](O)CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC001252129800 806015837 /nfs/dbraw/zinc/01/58/37/806015837.db2.gz DTCMORZCIKHXGD-QZTJIDSGSA-N 1 1 296.499 3.268 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CC[C@@H](C(C)=O)C1 ZINC001252132250 806017755 /nfs/dbraw/zinc/01/77/55/806017755.db2.gz CSHJMORQQZLNFY-HZPDHXFCSA-N 1 1 269.429 3.009 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C ZINC001252134262 806021132 /nfs/dbraw/zinc/02/11/32/806021132.db2.gz WJBZWQHFQHEEJQ-SQNIBIBYSA-N 1 1 296.499 3.266 20 30 CGEDMO CCCCCCCC[C@H](O)CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001252134262 806021141 /nfs/dbraw/zinc/02/11/41/806021141.db2.gz WJBZWQHFQHEEJQ-SQNIBIBYSA-N 1 1 296.499 3.266 20 30 CGEDMO CCCCCCCC[C@H](O)CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001252134262 806021149 /nfs/dbraw/zinc/02/11/49/806021149.db2.gz WJBZWQHFQHEEJQ-SQNIBIBYSA-N 1 1 296.499 3.266 20 30 CGEDMO CCCCCCCC[C@H](O)C[NH2+]Cc1nccnc1Cl ZINC001252137305 806024104 /nfs/dbraw/zinc/02/41/04/806024104.db2.gz XKJXXLICIMUPCA-ZDUSSCGKSA-N 1 1 299.846 3.331 20 30 CGEDMO CCCCCCC[N@@H+](CC)C[C@H](O)COCCCC ZINC001252511845 806053567 /nfs/dbraw/zinc/05/35/67/806053567.db2.gz CPHPLDNOOOLNKF-INIZCTEOSA-N 1 1 273.461 3.456 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC001252558749 806062859 /nfs/dbraw/zinc/06/28/59/806062859.db2.gz ZSJSOIMVDQOAHB-CABCVRRESA-N 1 1 265.784 3.414 20 30 CGEDMO C=C[C@@](C)(O)C[N@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC001252558166 806063934 /nfs/dbraw/zinc/06/39/34/806063934.db2.gz NBBOTXVQQCRISY-LSDHHAIUSA-N 1 1 267.319 3.039 20 30 CGEDMO C=C[C@@](C)(O)C[N@@H+](Cc1ccccc1)C[Si](C)(C)C ZINC001252555445 806064413 /nfs/dbraw/zinc/06/44/13/806064413.db2.gz VISOQQUFOWMOMG-MRXNPFEDSA-N 1 1 277.484 3.303 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1c1cc(F)ccc1F ZINC001252599796 806080183 /nfs/dbraw/zinc/08/01/83/806080183.db2.gz JYGLGOLUTMUYEU-XJKSGUPXSA-N 1 1 281.346 3.429 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)[C@@H](C)CC)CC1 ZINC001159326064 806083067 /nfs/dbraw/zinc/08/30/67/806083067.db2.gz XFYXKVXWQIZPHD-HNNXBMFYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)C[C@H](C)CCC)CC1 ZINC001159500054 806113605 /nfs/dbraw/zinc/11/36/05/806113605.db2.gz SSIUCFFXRPMGCW-OAHLLOKOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CCNC(=O)CC2CCC2)CC1 ZINC001159692947 806152304 /nfs/dbraw/zinc/15/23/04/806152304.db2.gz CBZCQUMBVBFZIG-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C[C@](O)(C[N@H+](CCC#N)Cc1ccccc1)c1ccccc1 ZINC001253091010 806162442 /nfs/dbraw/zinc/16/24/42/806162442.db2.gz KOTAENYWGQZJOB-IBGZPJMESA-N 1 1 294.398 3.310 20 30 CGEDMO C[C@](O)(C[N@@H+](CCC#N)Cc1ccccc1)c1ccccc1 ZINC001253091010 806162444 /nfs/dbraw/zinc/16/24/44/806162444.db2.gz KOTAENYWGQZJOB-IBGZPJMESA-N 1 1 294.398 3.310 20 30 CGEDMO N#Cc1c[nH]c2cc[nH+]c(NCC(F)(F)c3ccccn3)c12 ZINC001159795397 806175700 /nfs/dbraw/zinc/17/57/00/806175700.db2.gz TYRPFTRSUSIZMR-UHFFFAOYSA-N 1 1 299.284 3.033 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CCNC(=O)C2CC(C)C2)CC1 ZINC001159811346 806178002 /nfs/dbraw/zinc/17/80/02/806178002.db2.gz HXLDLVOYACVVLQ-UHFFFAOYSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCCCCCC[C@H](O)CNc1cc(C)[nH+]c(C)n1 ZINC001253229328 806185635 /nfs/dbraw/zinc/18/56/35/806185635.db2.gz OXNMEPOTBBTDQW-HNNXBMFYSA-N 1 1 277.412 3.393 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCC(=O)[C@@H](C)CC1 ZINC001253234202 806188329 /nfs/dbraw/zinc/18/83/29/806188329.db2.gz WKQUFRDBKGJHSY-HOTGVXAUSA-N 1 1 281.440 3.175 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@H]1C(C)(C)O ZINC001253241699 806191577 /nfs/dbraw/zinc/19/15/77/806191577.db2.gz ZROMUEQAIRUACP-HOTGVXAUSA-N 1 1 283.456 3.109 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1CCC[C@@H]1C(C)(C)O ZINC001253241701 806192050 /nfs/dbraw/zinc/19/20/50/806192050.db2.gz ZROMUEQAIRUACP-JKSUJKDBSA-N 1 1 283.456 3.109 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCOCC12CCC2 ZINC001253241368 806192490 /nfs/dbraw/zinc/19/24/90/806192490.db2.gz VHYINWKMRKKGNH-INIZCTEOSA-N 1 1 281.440 3.129 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCc2ccncc2C1 ZINC001253241084 806192504 /nfs/dbraw/zinc/19/25/04/806192504.db2.gz RQBPPFSFKHSTSX-GOSISDBHSA-N 1 1 288.435 3.327 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[NH2+]C1CCN(CCC)CC1 ZINC001253248642 806195278 /nfs/dbraw/zinc/19/52/78/806195278.db2.gz YYNXPXGHVLIMIX-GOSISDBHSA-N 1 1 296.499 3.338 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)C[C@@H]2CCC[C@@H]2C)CC1 ZINC001160221641 806238226 /nfs/dbraw/zinc/23/82/26/806238226.db2.gz ICZZQSFRXHZOIW-RDJZCZTQSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccccc1Br ZINC001253567351 806260559 /nfs/dbraw/zinc/26/05/59/806260559.db2.gz NBPJEEVSJMZDSW-BXUZGUMPSA-N 1 1 296.208 3.133 20 30 CGEDMO C=C[C@@H](O)C[N@H+]1CCc2ccccc2[C@@H]1c1ccccc1 ZINC001253579082 806263387 /nfs/dbraw/zinc/26/33/87/806263387.db2.gz MKWMRTNRUGEDMB-MJGOQNOKSA-N 1 1 279.383 3.181 20 30 CGEDMO C=C[C@H](O)C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC001253582591 806263796 /nfs/dbraw/zinc/26/37/96/806263796.db2.gz QOJPPGXQETZVTF-KBPBESRZSA-N 1 1 251.757 3.024 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)[C@H](C)C(CC)CC)CC1 ZINC001160550764 806283976 /nfs/dbraw/zinc/28/39/76/806283976.db2.gz CWWIWQILMHTJAE-OAHLLOKOSA-N 1 1 292.467 3.383 20 30 CGEDMO Cc1[nH+]c(NCc2noc3ccccc23)ccc1CC#N ZINC001160585217 806285935 /nfs/dbraw/zinc/28/59/35/806285935.db2.gz MWYSJWUUWRESRL-UHFFFAOYSA-N 1 1 278.315 3.209 20 30 CGEDMO C=CC(C)(C)C(=O)NCCC1=CC[N@H+](CC(=C)Cl)CC1 ZINC001160883268 806315357 /nfs/dbraw/zinc/31/53/57/806315357.db2.gz ZPTRJMAWEJDRAR-UHFFFAOYSA-N 1 1 296.842 3.090 20 30 CGEDMO C=CC(C)(C)C(=O)NCCC1=CC[N@@H+](CC(=C)Cl)CC1 ZINC001160883268 806315367 /nfs/dbraw/zinc/31/53/67/806315367.db2.gz ZPTRJMAWEJDRAR-UHFFFAOYSA-N 1 1 296.842 3.090 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1ncnc2scc(C)c21 ZINC001160952105 806325700 /nfs/dbraw/zinc/32/57/00/806325700.db2.gz QSKRURQTTMDDKO-LBPRGKRZSA-N 1 1 288.420 3.062 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)C2(CCC)CCC2)CC1 ZINC001160946605 806325929 /nfs/dbraw/zinc/32/59/29/806325929.db2.gz KWXXPPSNIYFUTB-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1nc(Cl)cc2[nH]ccc21 ZINC001160952933 806327143 /nfs/dbraw/zinc/32/71/43/806327143.db2.gz JJFMUEVDDXOQKE-NSHDSACASA-N 1 1 290.798 3.279 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1ccc2cc(F)ccc2n1 ZINC001160953146 806328701 /nfs/dbraw/zinc/32/87/01/806328701.db2.gz TUWJXJQJWIQNHD-HNNXBMFYSA-N 1 1 285.366 3.436 20 30 CGEDMO C=CCCCC(=O)NCCC1=CC[N@@H+](CCCC)CC1 ZINC001161062799 806344842 /nfs/dbraw/zinc/34/48/42/806344842.db2.gz QFBOOPHNFHDDSB-UHFFFAOYSA-N 1 1 278.440 3.281 20 30 CGEDMO C=CCCC1(C(=O)NCCC2=CC[N@@H+](CCC)CC2)CC1 ZINC001161116401 806350657 /nfs/dbraw/zinc/35/06/57/806350657.db2.gz HOTQKKGZHFQLAK-UHFFFAOYSA-N 1 1 290.451 3.281 20 30 CGEDMO C#CC[N@H+](Cc1c(C2CC2)nc2sccn12)CC1CC1 ZINC001254173003 806358429 /nfs/dbraw/zinc/35/84/29/806358429.db2.gz STNSRBBBWYHGLP-UHFFFAOYSA-N 1 1 285.416 3.118 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCSC[C@@H]2c2ccccc2)C1 ZINC001254669872 806479627 /nfs/dbraw/zinc/47/96/27/806479627.db2.gz WMEDPKHNYFMIDL-VNQPRFMTSA-N 1 1 272.417 3.469 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@@H+](Cc2ccccc2)C2CCOCC2)C1 ZINC001254669915 806479669 /nfs/dbraw/zinc/47/96/69/806479669.db2.gz WWHVAXMASYYRJV-SJLPKXTDSA-N 1 1 284.403 3.360 20 30 CGEDMO Cc1ccc([C@@H]2CCC[N@H+]2[C@@H]2CC[C@H](C#N)C2)cn1 ZINC001254672463 806481507 /nfs/dbraw/zinc/48/15/07/806481507.db2.gz BKXRYDYCXUDJGA-IMJJTQAJSA-N 1 1 255.365 3.219 20 30 CGEDMO C[C@]1(c2ccc(F)cc2)C[N@@H+]([C@@H]2CC[C@H](C#N)C2)CCO1 ZINC001254671611 806481743 /nfs/dbraw/zinc/48/17/43/806481743.db2.gz SMCYLHTWCJYELA-IAOVAPTHSA-N 1 1 288.366 3.065 20 30 CGEDMO C[C@]1(c2ccc(F)cc2)C[N@H+]([C@@H]2CC[C@H](C#N)C2)CCO1 ZINC001254671611 806481749 /nfs/dbraw/zinc/48/17/49/806481749.db2.gz SMCYLHTWCJYELA-IAOVAPTHSA-N 1 1 288.366 3.065 20 30 CGEDMO CC[N@@H+](Cc1cccc(F)c1F)[C@@H]1CC[C@H](C#N)C1 ZINC001254670289 806482044 /nfs/dbraw/zinc/48/20/44/806482044.db2.gz AICAUKWRPALPGT-WCQYABFASA-N 1 1 264.319 3.479 20 30 CGEDMO COc1cccc(CCC[N@@H+](C)[C@@H]2CC[C@@H](C#N)C2)c1 ZINC001254673791 806483550 /nfs/dbraw/zinc/48/35/50/806483550.db2.gz PIDIFBKYFKCABE-HZPDHXFCSA-N 1 1 272.392 3.252 20 30 CGEDMO C[C@H]1C[N@H+]([C@@H]2CC[C@H](C#N)C2)[C@@H](c2ccccc2)CO1 ZINC001254676280 806483621 /nfs/dbraw/zinc/48/36/21/806483621.db2.gz JVZLMEHLNWQBPC-XJNFMUPTSA-N 1 1 270.376 3.141 20 30 CGEDMO C[C@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)[C@@H](c2ccccc2)CO1 ZINC001254676280 806483628 /nfs/dbraw/zinc/48/36/28/806483628.db2.gz JVZLMEHLNWQBPC-XJNFMUPTSA-N 1 1 270.376 3.141 20 30 CGEDMO CC[N@@H+](CCc1ccc(OC)cc1)[C@@H]1CC[C@H](C#N)C1 ZINC001254677826 806484393 /nfs/dbraw/zinc/48/43/93/806484393.db2.gz WUCPAALRLWHZIA-JKSUJKDBSA-N 1 1 272.392 3.252 20 30 CGEDMO Cc1nc(NC2(C#N)CC[NH+](C)CC2)c(Cl)cc1Cl ZINC001162231787 806536550 /nfs/dbraw/zinc/53/65/50/806536550.db2.gz QGFBXPNCOFEYIY-UHFFFAOYSA-N 1 1 299.205 3.097 20 30 CGEDMO C[N@H+]1CCC[C@@](C)(Nc2nc(Cl)c(Cl)cc2C#N)C1 ZINC001162341833 806557889 /nfs/dbraw/zinc/55/78/89/806557889.db2.gz PDMVUNHPAKGTNE-CYBMUJFWSA-N 1 1 299.205 3.156 20 30 CGEDMO CC[C@H](CC#N)[NH2+][C@H](CO)c1cccc2ccccc21 ZINC001255163214 806560947 /nfs/dbraw/zinc/56/09/47/806560947.db2.gz DJYVXIQNBNYXAD-RHSMWYFYSA-N 1 1 268.360 3.155 20 30 CGEDMO C#CC1(Nc2nc(NC3CC3)c(C)c[nH+]2)CCCCC1 ZINC001162479572 806595154 /nfs/dbraw/zinc/59/51/54/806595154.db2.gz HJUJXHXTIFZQBM-UHFFFAOYSA-N 1 1 270.380 3.107 20 30 CGEDMO C=C(C)c1nnc([C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC001255367668 806626165 /nfs/dbraw/zinc/62/61/65/806626165.db2.gz ZMAJJVAJAHQERV-CQSZACIVSA-N 1 1 269.348 3.092 20 30 CGEDMO CC[C@@H](CC#N)N[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255388793 806630689 /nfs/dbraw/zinc/63/06/89/806630689.db2.gz HTFFGBCVSOYUCQ-ROUUACIJSA-N 1 1 285.435 3.323 20 30 CGEDMO C[N@H+]1CCC[C@H](N(CCC#N)Cc2ccc(Cl)cc2)C1 ZINC001255490419 806650427 /nfs/dbraw/zinc/65/04/27/806650427.db2.gz VNGKRZJJGAKQNW-INIZCTEOSA-N 1 1 291.826 3.150 20 30 CGEDMO C=CC[C@@](C)([NH2+]C1CCC(C(F)(F)F)CC1)C(=O)OC ZINC001255513351 806658917 /nfs/dbraw/zinc/65/89/17/806658917.db2.gz CQPDVWXPGGGABC-GCZXYKMCSA-N 1 1 293.329 3.205 20 30 CGEDMO C=CC[N@H+]([C@H]1CCN(C(=O)OC(C)(C)C)C1)C(C)(C)C ZINC001255608587 806681442 /nfs/dbraw/zinc/68/14/42/806681442.db2.gz LAGHGJPMRIKNRX-ZDUSSCGKSA-N 1 1 282.428 3.282 20 30 CGEDMO C[C@H](CC(F)(F)F)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001255655886 806695572 /nfs/dbraw/zinc/69/55/72/806695572.db2.gz YWBYVYMWLZZMDA-SNVBAGLBSA-N 1 1 256.271 3.331 20 30 CGEDMO C#CC[N@@H+](C)CCCN[C@@H](C)c1cc2ccccc2o1 ZINC000327970421 799248432 /nfs/dbraw/zinc/24/84/32/799248432.db2.gz FZLIIKKZFKPMQU-AWEZNQCLSA-N 1 1 270.376 3.039 20 30 CGEDMO C#CC[N@H+](C)CCCN[C@@H](C)c1cc2ccccc2o1 ZINC000327970421 799248437 /nfs/dbraw/zinc/24/84/37/799248437.db2.gz FZLIIKKZFKPMQU-AWEZNQCLSA-N 1 1 270.376 3.039 20 30 CGEDMO Cc1cc(C#N)c(N[C@H]2CC[N@H+](C(C)C)C[C@@H]2C)nc1C ZINC001163361620 806745655 /nfs/dbraw/zinc/74/56/55/806745655.db2.gz JRXVXUJHDCRNGT-BBRMVZONSA-N 1 1 286.423 3.101 20 30 CGEDMO C#C[C@](C)(CC)[NH2+]Cc1ccc(Br)cc1C#N ZINC000384134577 799411744 /nfs/dbraw/zinc/41/17/44/799411744.db2.gz DEDHDPNQDYAQRM-CQSZACIVSA-N 1 1 291.192 3.212 20 30 CGEDMO CC(C)[N@H+]1CC[C@@H](Nc2ncc(Cl)cc2C#N)[C@@H](C)C1 ZINC001163365133 806749174 /nfs/dbraw/zinc/74/91/74/806749174.db2.gz HNHGCBSDOQAFPK-SMDDNHRTSA-N 1 1 292.814 3.137 20 30 CGEDMO C[C@H]1C[C@@H](NCC2(C#N)CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000405110756 799581641 /nfs/dbraw/zinc/58/16/41/799581641.db2.gz SFITUVASRRQGMO-FUHWJXTLSA-N 1 1 297.446 3.323 20 30 CGEDMO C[C@H]1C[C@@H](NCC2(C#N)CCCC2)C[N@H+]1Cc1ccccc1 ZINC000405110756 799581643 /nfs/dbraw/zinc/58/16/43/799581643.db2.gz SFITUVASRRQGMO-FUHWJXTLSA-N 1 1 297.446 3.323 20 30 CGEDMO CCC[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC000708408169 799988152 /nfs/dbraw/zinc/98/81/52/799988152.db2.gz COPKCHUTWALWTQ-RHSMWYFYSA-N 1 1 272.392 3.104 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](c3nccs3)C2)c1 ZINC000710362637 800032805 /nfs/dbraw/zinc/03/28/05/800032805.db2.gz WYEMRXNYVLIOGU-GFCCVEGCSA-N 1 1 287.363 3.143 20 30 CGEDMO C[C@@H](COCc1ccccc1)C[N@@H+](C)[C@H](C)CC#N ZINC000719590186 800244264 /nfs/dbraw/zinc/24/42/64/800244264.db2.gz BHVHBBXZZPURKV-HUUCEWRRSA-N 1 1 260.381 3.073 20 30 CGEDMO Cc1cc(C)nc(C[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC000723613780 800330752 /nfs/dbraw/zinc/33/07/52/800330752.db2.gz IBRQBTURRDDNLG-UHFFFAOYSA-N 1 1 265.360 3.202 20 30 CGEDMO C=C(Br)C[N@H+]1CCCSC[C@H]1C1CC1 ZINC000725489177 800375646 /nfs/dbraw/zinc/37/56/46/800375646.db2.gz JYLNBFPFWDYADY-NSHDSACASA-N 1 1 276.243 3.113 20 30 CGEDMO C#Cc1ccc(C[N@@H+](C)CCc2ccc(F)cc2)cc1 ZINC000809548989 800445064 /nfs/dbraw/zinc/44/50/64/800445064.db2.gz DKTIEONWWVBWTR-UHFFFAOYSA-N 1 1 267.347 3.482 20 30 CGEDMO N#CCSCCC[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872278657 800537355 /nfs/dbraw/zinc/53/73/55/800537355.db2.gz WTRDLBLOOQZLBF-OAHLLOKOSA-N 1 1 282.453 3.057 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886829502 800546966 /nfs/dbraw/zinc/54/69/66/800546966.db2.gz BKEJWQNDOMCTGE-SJLPKXTDSA-N 1 1 298.430 3.489 20 30 CGEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@H]1CC[C@H](C2CC2)O1 ZINC000933771019 800675904 /nfs/dbraw/zinc/67/59/04/800675904.db2.gz UXWBEPSCRQMOLA-UKRRQHHQSA-N 1 1 276.405 3.009 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)c2sccc2C)C1 ZINC001023204138 800706781 /nfs/dbraw/zinc/70/67/81/800706781.db2.gz IWHNNSNAGPNDTJ-CQSZACIVSA-N 1 1 292.448 3.074 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)c2cc(C)cs2)C1 ZINC001023359030 800709554 /nfs/dbraw/zinc/70/95/54/800709554.db2.gz VVPNJGYUJITOSU-CQSZACIVSA-N 1 1 292.448 3.074 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C)s1 ZINC001024294091 800723354 /nfs/dbraw/zinc/72/33/54/800723354.db2.gz BENBNXBGRXOUCN-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C)c1 ZINC001024312405 800725086 /nfs/dbraw/zinc/72/50/86/800725086.db2.gz JGHFRYFPOOUWBX-QGZVFWFLSA-N 1 1 286.419 3.155 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(Cl)o1 ZINC001024333758 800726098 /nfs/dbraw/zinc/72/60/98/800726098.db2.gz UBSGOTPCENXWBN-LBPRGKRZSA-N 1 1 296.798 3.093 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001024455203 800727792 /nfs/dbraw/zinc/72/77/92/800727792.db2.gz KVRIFOYBHNPDFG-DLBZAZTESA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C)cs1 ZINC001024430224 800728490 /nfs/dbraw/zinc/72/84/90/800728490.db2.gz VSDPTCOOPFBELY-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC12CC2 ZINC001024503610 800729762 /nfs/dbraw/zinc/72/97/62/800729762.db2.gz ADTOQOJSRANJJK-JKSUJKDBSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC(C)C ZINC001025196309 800749006 /nfs/dbraw/zinc/74/90/06/800749006.db2.gz SPPFSUYDVQCGPQ-DLBZAZTESA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC(C)C ZINC001025196021 800749039 /nfs/dbraw/zinc/74/90/39/800749039.db2.gz PYDLUNUBSLDXCO-IRXDYDNUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC1CCC1 ZINC001025214702 800749512 /nfs/dbraw/zinc/74/95/12/800749512.db2.gz DFGVSRKMDXNFJY-IRXDYDNUSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC1CCC1 ZINC001025214703 800749754 /nfs/dbraw/zinc/74/97/54/800749754.db2.gz DFGVSRKMDXNFJY-SJORKVTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)/C(C)=C\C ZINC001025219509 800750384 /nfs/dbraw/zinc/75/03/84/800750384.db2.gz XJKWJXHSOBSORS-WCLYRPPWSA-N 1 1 290.451 3.374 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCCC[C@H]1[C@H]1CCC[N@@H+]1CCC ZINC001025257633 800752079 /nfs/dbraw/zinc/75/20/79/800752079.db2.gz FHTGVKIHQWHCPX-CVEARBPZSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CCCCC2)C1 ZINC001025315579 800754926 /nfs/dbraw/zinc/75/49/26/800754926.db2.gz BMNDDAGPOZVJDU-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccoc2)C1 ZINC001025343583 800759178 /nfs/dbraw/zinc/75/91/78/800759178.db2.gz JVWQSCKJZSGVKT-GJZGRUSLSA-N 1 1 290.407 3.076 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2CC(C)(C)C2)C1 ZINC001025412521 800761373 /nfs/dbraw/zinc/76/13/73/800761373.db2.gz VUKRGAOJENTZLW-CABCVRRESA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC001027289969 800790230 /nfs/dbraw/zinc/79/02/30/800790230.db2.gz MMMRLRDSWSWEIA-CABCVRRESA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC001027289969 800790233 /nfs/dbraw/zinc/79/02/33/800790233.db2.gz MMMRLRDSWSWEIA-CABCVRRESA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@H]1CCCN(C(=O)C2(C)CCCC2)C1 ZINC001027512010 800800506 /nfs/dbraw/zinc/80/05/06/800800506.db2.gz ITNQEMPUJQYUPX-AWEZNQCLSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@H]1CCCN(C(=O)C2(C)CCCC2)C1 ZINC001027512010 800800513 /nfs/dbraw/zinc/80/05/13/800800513.db2.gz ITNQEMPUJQYUPX-AWEZNQCLSA-N 1 1 298.858 3.242 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)c2c(C)cccc2C)C1 ZINC001027590101 800804684 /nfs/dbraw/zinc/80/46/84/800804684.db2.gz ROEIPOUVTWPODQ-MRXNPFEDSA-N 1 1 286.419 3.026 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2cc3ccccc3o2)C1 ZINC001027670785 800811021 /nfs/dbraw/zinc/81/10/21/800811021.db2.gz NOMIHGRIJZLOAD-HNNXBMFYSA-N 1 1 298.386 3.155 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1CC ZINC001028100460 800832131 /nfs/dbraw/zinc/83/21/31/800832131.db2.gz FEEJQINRNCMTPL-INIZCTEOSA-N 1 1 286.419 3.019 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C=C)cc1 ZINC001028155291 800833412 /nfs/dbraw/zinc/83/34/12/800833412.db2.gz BXPFVGDRCYCURT-QGZVFWFLSA-N 1 1 284.403 3.100 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001028274388 800838552 /nfs/dbraw/zinc/83/85/52/800838552.db2.gz BNBVCARNRFKKIL-ULQDDVLXSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(F)s1 ZINC001028347335 800844012 /nfs/dbraw/zinc/84/40/12/800844012.db2.gz SNFAFUYQSTZHLU-GFCCVEGCSA-N 1 1 296.411 3.048 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)C2CCC(=C)CC2)C1 ZINC001028780878 800852933 /nfs/dbraw/zinc/85/29/33/800852933.db2.gz NSQYLGFTNVEKQU-INIZCTEOSA-N 1 1 290.451 3.137 20 30 CGEDMO C=Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](CCC(=C)C)C2)cc1 ZINC001028822476 800853494 /nfs/dbraw/zinc/85/34/94/800853494.db2.gz VUZJWQHSQXZXOS-KRWDZBQOSA-N 1 1 298.430 3.348 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)c2ccc(C)cc2)C1 ZINC001028949458 800855575 /nfs/dbraw/zinc/85/55/75/800855575.db2.gz KZMOIRNMAXWDGG-MRXNPFEDSA-N 1 1 286.419 3.013 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(Cl)s2)C1 ZINC001028968707 800856887 /nfs/dbraw/zinc/85/68/87/800856887.db2.gz YMZQPLBPIBHUME-NSHDSACASA-N 1 1 298.839 3.029 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CCC2)C1 ZINC001029828543 800877475 /nfs/dbraw/zinc/87/74/75/800877475.db2.gz CPJWWHPFZRWNPF-WMZOPIPTSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](N(Cc2ccccc2)C(C)=O)C1 ZINC001029917987 800879141 /nfs/dbraw/zinc/87/91/41/800879141.db2.gz UHVINMZTEMIVBP-GOSISDBHSA-N 1 1 286.419 3.076 20 30 CGEDMO C=C1CC(C)(C(=O)NC2C[NH+]([C@@H](CC)c3ccccc3)C2)C1 ZINC001030918413 800901349 /nfs/dbraw/zinc/90/13/49/800901349.db2.gz ANDQMVQJDZHVHZ-KRWDZBQOSA-N 1 1 298.430 3.294 20 30 CGEDMO C=C(C)CC[NH+]1CC(NC(=O)c2ccc(C(F)F)cc2)C1 ZINC001031111284 800904157 /nfs/dbraw/zinc/90/41/57/800904157.db2.gz ZGOSPDWALLVZGY-UHFFFAOYSA-N 1 1 294.345 3.004 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CCC)cc1 ZINC001032594367 800932028 /nfs/dbraw/zinc/93/20/28/800932028.db2.gz CFRCEKCMXHYLRN-ROUUACIJSA-N 1 1 298.430 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CCC)cc1 ZINC001032594367 800932034 /nfs/dbraw/zinc/93/20/34/800932034.db2.gz CFRCEKCMXHYLRN-ROUUACIJSA-N 1 1 298.430 3.114 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC23CC3)C1 ZINC001033196910 800955351 /nfs/dbraw/zinc/95/53/51/800955351.db2.gz OFYVBLQMDSKYMT-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001033392958 800962255 /nfs/dbraw/zinc/96/22/55/800962255.db2.gz FLINUAXLLMLCTO-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2c(C)cccc2C)C1 ZINC001033446047 800964321 /nfs/dbraw/zinc/96/43/21/800964321.db2.gz DKRFBWCEBRUBQC-INIZCTEOSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2sccc2CC)C1 ZINC001033683955 800973755 /nfs/dbraw/zinc/97/37/55/800973755.db2.gz JZLZNZIJXIJDAL-CQSZACIVSA-N 1 1 292.448 3.033 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001033679005 800973808 /nfs/dbraw/zinc/97/38/08/800973808.db2.gz RNQQQOOQVZWCNS-AEFFLSMTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2coc3ccccc32)C1 ZINC001033711181 800977047 /nfs/dbraw/zinc/97/70/47/800977047.db2.gz RZIBVHGKTXGWKK-AWEZNQCLSA-N 1 1 298.386 3.155 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)C2CC3(CCC3)C2)C1 ZINC001033921817 800987830 /nfs/dbraw/zinc/98/78/30/800987830.db2.gz GRHPXKIKCBYGQT-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001033951436 800990305 /nfs/dbraw/zinc/99/03/05/800990305.db2.gz JHJWHCQCMVDCOA-IXDOHACOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](CCCF)C2)CC1 ZINC001033946282 800991248 /nfs/dbraw/zinc/99/12/48/800991248.db2.gz UIRQTXBKVVHVFC-INIZCTEOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCC(C)(C)C2)C1 ZINC001034051178 800996563 /nfs/dbraw/zinc/99/65/63/800996563.db2.gz TXTNZTXCLFUVNC-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCCC2(C)C)C1 ZINC001034051696 800996929 /nfs/dbraw/zinc/99/69/29/800996929.db2.gz YUTZVTMHWGPEAO-HOTGVXAUSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc(C)s2)C1 ZINC001034077856 800999671 /nfs/dbraw/zinc/99/96/71/800999671.db2.gz IJGCOEHHVQRGDJ-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)C[C@@H]2C=CCC2)C1 ZINC001034094815 801003932 /nfs/dbraw/zinc/00/39/32/801003932.db2.gz IKWZTHRBIHUSPW-CABCVRRESA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)C[C@@H]2C=CCC2)C1 ZINC001034094815 801003937 /nfs/dbraw/zinc/00/39/37/801003937.db2.gz IKWZTHRBIHUSPW-CABCVRRESA-N 1 1 296.842 3.066 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2ccsc2C)C1 ZINC001034207146 801011263 /nfs/dbraw/zinc/01/12/63/801011263.db2.gz KPPVRTPKSXIDSO-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC2(C)C)C1 ZINC001034349505 801018907 /nfs/dbraw/zinc/01/89/07/801018907.db2.gz AJQPUQTUAPYUQK-ZIAGYGMSSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC2(C)C)C1 ZINC001034349505 801018912 /nfs/dbraw/zinc/01/89/12/801018912.db2.gz AJQPUQTUAPYUQK-ZIAGYGMSSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)C2(C)CC=CC2)C1 ZINC001034376084 801020865 /nfs/dbraw/zinc/02/08/65/801020865.db2.gz HWXSMDWYDJLHQX-AWEZNQCLSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)C2(C)CC=CC2)C1 ZINC001034376084 801020871 /nfs/dbraw/zinc/02/08/71/801020871.db2.gz HWXSMDWYDJLHQX-AWEZNQCLSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CCC2(C1)CCN(C(=O)C(C)(C)F)CC2 ZINC001035150140 801051923 /nfs/dbraw/zinc/05/19/23/801051923.db2.gz ONOHEKLCVMGTJY-UHFFFAOYSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCC(=C)C)C1 ZINC001036788820 801089450 /nfs/dbraw/zinc/08/94/50/801089450.db2.gz HVHSTFUCBOUVQB-HOTGVXAUSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1c(C)oc2ccccc21 ZINC001038282758 801122891 /nfs/dbraw/zinc/12/28/91/801122891.db2.gz AUHGTYMQGRJJQU-CQSZACIVSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)c1c(C)oc2ccccc21 ZINC001038282758 801122894 /nfs/dbraw/zinc/12/28/94/801122894.db2.gz AUHGTYMQGRJJQU-CQSZACIVSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C(F)F)cc1 ZINC001038817913 801134925 /nfs/dbraw/zinc/13/49/25/801134925.db2.gz AFSKSXYFACMFNO-AWEZNQCLSA-N 1 1 294.345 3.004 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1ccc(C(F)F)cc1 ZINC001038817913 801134928 /nfs/dbraw/zinc/13/49/28/801134928.db2.gz AFSKSXYFACMFNO-AWEZNQCLSA-N 1 1 294.345 3.004 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C2CC2)s1 ZINC001038911335 801136829 /nfs/dbraw/zinc/13/68/29/801136829.db2.gz DDTDHISHMLXXDW-ZDUSSCGKSA-N 1 1 290.432 3.006 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1ccc(C2CC2)s1 ZINC001038911335 801136833 /nfs/dbraw/zinc/13/68/33/801136833.db2.gz DDTDHISHMLXXDW-ZDUSSCGKSA-N 1 1 290.432 3.006 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]1CNC(=O)c1ccc2c(c1)CCC=C2 ZINC001038940496 801137837 /nfs/dbraw/zinc/13/78/37/801137837.db2.gz ZFPZLKBAUHOPOG-GOSISDBHSA-N 1 1 296.414 3.026 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1sccc1C(C)C ZINC001039042475 801141895 /nfs/dbraw/zinc/14/18/95/801141895.db2.gz RJIVUFJVZSJJOM-ZDUSSCGKSA-N 1 1 292.448 3.252 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1sccc1C(C)C ZINC001039042475 801141897 /nfs/dbraw/zinc/14/18/97/801141897.db2.gz RJIVUFJVZSJJOM-ZDUSSCGKSA-N 1 1 292.448 3.252 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1cc2c(cccc2C)o1 ZINC001039063083 801145720 /nfs/dbraw/zinc/14/57/20/801145720.db2.gz HMUTWMFTQRJOBG-AWEZNQCLSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1cc2c(cccc2C)o1 ZINC001039063083 801145724 /nfs/dbraw/zinc/14/57/24/801145724.db2.gz HMUTWMFTQRJOBG-AWEZNQCLSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C2CCN(C(=O)CC(C)C)CC2)C1 ZINC001039109168 801149328 /nfs/dbraw/zinc/14/93/28/801149328.db2.gz ONHCVKYDNQLZSE-KRWDZBQOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccccc1C ZINC001039326613 801157778 /nfs/dbraw/zinc/15/77/78/801157778.db2.gz FREURUBMJVSMDA-SJORKVTESA-N 1 1 298.430 3.250 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC1CCC1 ZINC001039352580 801159135 /nfs/dbraw/zinc/15/91/35/801159135.db2.gz CXSNJXOYEJGKRJ-SJORKVTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C(C)(C)C ZINC001039394919 801160729 /nfs/dbraw/zinc/16/07/29/801160729.db2.gz OYCYUIWBBWRHOJ-XHSDSOJGSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CC[N@H+]1CCC[C@]2(CCN(C(=O)CC3CCCC3)C2)C1 ZINC001040052273 801171613 /nfs/dbraw/zinc/17/16/13/801171613.db2.gz GNBKXPHEHAEFMR-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3c(C)cccc3C)C2)C1 ZINC001041707929 801193146 /nfs/dbraw/zinc/19/31/46/801193146.db2.gz UVXHIXWYTAEENV-LJQANCHMSA-N 1 1 298.430 3.027 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(C)c(C)c3)C2)C1 ZINC001041813490 801194405 /nfs/dbraw/zinc/19/44/05/801194405.db2.gz BHKGJMLCNDTTQL-LJQANCHMSA-N 1 1 298.430 3.027 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C3(C)CCCC3)C[C@H]21 ZINC001042172074 801202543 /nfs/dbraw/zinc/20/25/43/801202543.db2.gz BYYTZDFBVFNTGQ-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)C3(C)CCCCC3)C[C@H]21 ZINC001042217270 801203657 /nfs/dbraw/zinc/20/36/57/801203657.db2.gz WMALXBFLPIPYTB-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3ccc(C)c(C)c3)C[C@@H]21 ZINC001042339996 801204445 /nfs/dbraw/zinc/20/44/45/801204445.db2.gz DADUWXQEXLYVPS-WMZOPIPTSA-N 1 1 298.430 3.026 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2CCN(C(=O)c3cccc(C)c3C)C[C@@H]21 ZINC001042339476 801204906 /nfs/dbraw/zinc/20/49/06/801204906.db2.gz XCZSNYPOBDIIBC-WMZOPIPTSA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@@H](C)C2)CC1 ZINC001045577840 801280227 /nfs/dbraw/zinc/28/02/27/801280227.db2.gz VRNMGIMTABXWCX-TZMCWYRMSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCCC[C@]3(CC[N@H+](CC)C3)C2)C1 ZINC001045962878 801297897 /nfs/dbraw/zinc/29/78/97/801297897.db2.gz CPBWLAQXZAJNBR-GOSISDBHSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(CCC)s2)C1 ZINC001046352086 801309168 /nfs/dbraw/zinc/30/91/68/801309168.db2.gz UKFRPHLUIDAWSN-INIZCTEOSA-N 1 1 292.448 3.081 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001046415838 801310268 /nfs/dbraw/zinc/31/02/68/801310268.db2.gz SUEZDKQXPZJUSV-FUHWJXTLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2ccccc2CC)C1 ZINC001046580099 801315108 /nfs/dbraw/zinc/31/51/08/801315108.db2.gz QPEPGARTOAUHBO-SFHVURJKSA-N 1 1 286.419 3.019 20 30 CGEDMO CC#CC[N@H+]1CC[C@](C)(NC(=O)c2cccc(C(C)C)c2)C1 ZINC001046750401 801323311 /nfs/dbraw/zinc/32/33/11/801323311.db2.gz VYLVXTKOYIFWFG-IBGZPJMESA-N 1 1 298.430 3.028 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001046864423 801331125 /nfs/dbraw/zinc/33/11/25/801331125.db2.gz SNFMAFXFIVGRSQ-JTTJXQCZSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC(C)C1 ZINC001049405628 801370615 /nfs/dbraw/zinc/37/06/15/801370615.db2.gz JYJKDQUZLVGGPA-SJJHQCBESA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C=C1CCC1 ZINC001049411317 801371295 /nfs/dbraw/zinc/37/12/95/801371295.db2.gz HPUYGKOYSZTXRF-DLBZAZTESA-N 1 1 288.435 3.128 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC1(C)CC1 ZINC001049601901 801378766 /nfs/dbraw/zinc/37/87/66/801378766.db2.gz IXDDOIOTOBMPAW-JKSUJKDBSA-N 1 1 290.451 3.208 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)C(C)C ZINC001049769734 801387913 /nfs/dbraw/zinc/38/79/13/801387913.db2.gz PWEZAWACHVEWCS-RBSFLKMASA-N 1 1 298.858 3.096 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)C(C)C ZINC001049769734 801387921 /nfs/dbraw/zinc/38/79/21/801387921.db2.gz PWEZAWACHVEWCS-RBSFLKMASA-N 1 1 298.858 3.096 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)c1ccc(C)cc1 ZINC001049860437 801391992 /nfs/dbraw/zinc/39/19/92/801391992.db2.gz BAKQKSYWAXLONN-ROUUACIJSA-N 1 1 298.430 3.250 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)CC2=CCCCC2)CC1 ZINC001052257924 801428009 /nfs/dbraw/zinc/42/80/09/801428009.db2.gz NWLLRKIZJXRGTK-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)sc2C)CC1 ZINC001052536938 801438449 /nfs/dbraw/zinc/43/84/49/801438449.db2.gz IYFNTBOLXXXKDG-CQSZACIVSA-N 1 1 292.448 3.135 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2CCC[N@H+](CCCF)CC2)CC1 ZINC001052682753 801446577 /nfs/dbraw/zinc/44/65/77/801446577.db2.gz YUPJVHAXWFXFGJ-INIZCTEOSA-N 1 1 296.430 3.063 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](NC(=O)c2coc3ccccc23)CC1 ZINC001052975247 801459670 /nfs/dbraw/zinc/45/96/70/801459670.db2.gz WVJGMGUSIYKTFT-AWEZNQCLSA-N 1 1 298.386 3.203 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCC)C1 ZINC001053063790 801466128 /nfs/dbraw/zinc/46/61/28/801466128.db2.gz RGWYPNXQYWXPGK-HOTGVXAUSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@]2(C1)CCCN(C(=O)C1CCCC1)C2 ZINC001054069833 801470532 /nfs/dbraw/zinc/47/05/32/801470532.db2.gz VSABKMQYOQLMLY-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3C[C@H]3C)cc2C1 ZINC001054253555 801482658 /nfs/dbraw/zinc/48/26/58/801482658.db2.gz CMULXIDEWRCPBY-RDTXWAMCSA-N 1 1 298.430 3.241 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)CC2=CCCCC2)CC[C@@H]1C ZINC001071390518 801531573 /nfs/dbraw/zinc/53/15/73/801531573.db2.gz BJSDSUHWLSPMQO-DOTOQJQBSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(Cl)o2)CC[C@@H]1C ZINC001071352172 801532737 /nfs/dbraw/zinc/53/27/37/801532737.db2.gz NQFMDWIJHCPVLM-RYUDHWBXSA-N 1 1 296.798 3.092 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2cc(C)c(C)o2)CC[C@H]1C ZINC001071431721 801536164 /nfs/dbraw/zinc/53/61/64/801536164.db2.gz UXZKIPACUZTMSJ-UKRRQHHQSA-N 1 1 290.407 3.055 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2ccsc2C)CC[C@@H]1C ZINC001071493307 801540554 /nfs/dbraw/zinc/54/05/54/801540554.db2.gz ACXZQGALWREUAX-GXTWGEPZSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)C23CCC(CC2)C3)CC[C@@H]1C ZINC001071612837 801543186 /nfs/dbraw/zinc/54/31/86/801543186.db2.gz NZZYVFGQUXQBSH-UERKLNTKSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)c2ccc3occc3c2)CC[C@H]1C ZINC001071526108 801543333 /nfs/dbraw/zinc/54/33/33/801543333.db2.gz QIPQHFCWTOEXMQ-CJNGLKHVSA-N 1 1 298.386 3.202 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)C2(C3CC3)CCC2)CC[C@@H]1C ZINC001071709016 801546981 /nfs/dbraw/zinc/54/69/81/801546981.db2.gz PMZGXWJIIIYIFF-GOEBONIOSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C2CCC(=C)CC2)CC[C@@H]1C ZINC001071795589 801552581 /nfs/dbraw/zinc/55/25/81/801552581.db2.gz LTJKVPVYWXFEAT-RDJZCZTQSA-N 1 1 290.451 3.278 20 30 CGEDMO CC1(C#N)CCN(C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001256609236 806924534 /nfs/dbraw/zinc/92/45/34/806924534.db2.gz LCYBGBYHIRRUQQ-UHFFFAOYSA-N 1 1 297.446 3.277 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C)s2)C1 ZINC001079368771 801643398 /nfs/dbraw/zinc/64/33/98/801643398.db2.gz SAXHVPIRNFZHBS-TZMCWYRMSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@]2(C)CC=CCC2)C1 ZINC001079758849 801647912 /nfs/dbraw/zinc/64/79/12/801647912.db2.gz ROLFBVJLNJLDKR-JFIYKMOQSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1sccc1Cl ZINC001085611593 801695908 /nfs/dbraw/zinc/69/59/08/801695908.db2.gz WQUSOMPITWINMR-NSHDSACASA-N 1 1 298.839 3.124 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1C1(C)CC1 ZINC001085815575 801707026 /nfs/dbraw/zinc/70/70/26/801707026.db2.gz YBCYIVDMUMIJFH-OAHLLOKOSA-N 1 1 298.430 3.070 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1C1(C)CC1 ZINC001085815575 801707031 /nfs/dbraw/zinc/70/70/31/801707031.db2.gz YBCYIVDMUMIJFH-OAHLLOKOSA-N 1 1 298.430 3.070 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1CC(C)C ZINC001085828784 801707735 /nfs/dbraw/zinc/70/77/35/801707735.db2.gz DZLFABXNTULCMZ-BRWVUGGUSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C(C)C)cc1 ZINC001085942244 801711657 /nfs/dbraw/zinc/71/16/57/801711657.db2.gz BYVZGDGXDFEFFC-KRWDZBQOSA-N 1 1 286.419 3.142 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C(C)C)cc1 ZINC001085942244 801711660 /nfs/dbraw/zinc/71/16/60/801711660.db2.gz BYVZGDGXDFEFFC-KRWDZBQOSA-N 1 1 286.419 3.142 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)cc(C)c1 ZINC001085943325 801712462 /nfs/dbraw/zinc/71/24/62/801712462.db2.gz FGLLXAHAOMUMMX-QGZVFWFLSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C)cc1 ZINC001085941889 801712585 /nfs/dbraw/zinc/71/25/85/801712585.db2.gz SIYWYZJPAMTFJJ-QGZVFWFLSA-N 1 1 286.419 3.108 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC(C)(C)C1 ZINC001085990032 801717653 /nfs/dbraw/zinc/71/76/53/801717653.db2.gz FWEPSNPGVZRLNK-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC23CC3)[C@H]1CC ZINC001087622807 801759088 /nfs/dbraw/zinc/75/90/88/801759088.db2.gz FWYGDBSRVNICGW-HRCADAONSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC=CCC2)[C@H]1CC ZINC001087688844 801762806 /nfs/dbraw/zinc/76/28/06/801762806.db2.gz YRRWWHQOUWPLHN-IXDOHACOSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC23CCC3)[C@H]1CC ZINC001087742947 801766895 /nfs/dbraw/zinc/76/68/95/801766895.db2.gz HQSHODQKFVDNAV-OWCLPIDISA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C(C)(C)C)C[C@@H]2C1 ZINC001088013040 801773313 /nfs/dbraw/zinc/77/33/13/801773313.db2.gz NGSGXYDDXWHHKZ-XHSDSOJGSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2CCCCC2)[C@H]1C ZINC001088450934 801793637 /nfs/dbraw/zinc/79/36/37/801793637.db2.gz MLUHTEWLASNELV-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(C)(C)C2)[C@H]1C ZINC001088840309 801812066 /nfs/dbraw/zinc/81/20/66/801812066.db2.gz DGBRLRWUZCFEAX-PMPSAXMXSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccoc2CCC)[C@H]1C ZINC001088979357 801813935 /nfs/dbraw/zinc/81/39/35/801813935.db2.gz JKOREACUXQKTLE-HIFRSBDPSA-N 1 1 290.407 3.001 20 30 CGEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(C(C)C)cc2)[C@H]1C ZINC001089000475 801815386 /nfs/dbraw/zinc/81/53/86/801815386.db2.gz GPIXEIMUYHOCOH-QAPCUYQASA-N 1 1 298.430 3.026 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C)cc2C)[C@H]1C ZINC001089017724 801815504 /nfs/dbraw/zinc/81/55/04/801815504.db2.gz SIFGPLBIQVYOLT-WBVHZDCISA-N 1 1 286.419 3.072 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C3CC3)cc2)[C@H]1C ZINC001089054194 801818474 /nfs/dbraw/zinc/81/84/74/801818474.db2.gz FKAKPLLTXXNRHX-KDOFPFPSSA-N 1 1 298.430 3.333 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc([C@@H](C)CC)cc2)[C@H]1C ZINC001089063768 801819545 /nfs/dbraw/zinc/81/95/45/801819545.db2.gz RNMBUFJHOQWJCX-DAYGRLMNSA-N 1 1 298.430 3.026 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2C=CCC2)CC(C)(C)C1 ZINC001089315121 801832448 /nfs/dbraw/zinc/83/24/48/801832448.db2.gz HYOGDVCVAZTPAC-CVEARBPZSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C2CC=CC2)CC(C)(C)C1 ZINC001089348402 801833654 /nfs/dbraw/zinc/83/36/54/801833654.db2.gz RQGRZCATXDXTBC-MRXNPFEDSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2(C)CC2)CC(C)(C)C1 ZINC001089396187 801837313 /nfs/dbraw/zinc/83/73/13/801837313.db2.gz YKPOLRGXVFFQRP-CYBMUJFWSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2(F)CCCC2)CC(C)(C)C1 ZINC001089426906 801838417 /nfs/dbraw/zinc/83/84/17/801838417.db2.gz MRJSNSIDXQVDQQ-AWEZNQCLSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC1(C)C ZINC001089627296 801845993 /nfs/dbraw/zinc/84/59/93/801845993.db2.gz WVBRHVCSQGNEMK-HUUCEWRRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CC(C)C1 ZINC001089627342 801846820 /nfs/dbraw/zinc/84/68/20/801846820.db2.gz XHTMVIABHXLKBO-GPANFISMSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cccs1 ZINC001089603118 801847251 /nfs/dbraw/zinc/84/72/51/801847251.db2.gz JVUUVTHRXILMQU-ZDUSSCGKSA-N 1 1 292.448 3.155 20 30 CGEDMO C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC1(C)C ZINC001089628353 801847274 /nfs/dbraw/zinc/84/72/74/801847274.db2.gz HJAXZZYSCFIPCR-HUUCEWRRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CCC ZINC001089690724 801848750 /nfs/dbraw/zinc/84/87/50/801848750.db2.gz DBBLOTTWSIIRCV-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO COc1cccc2c1CC[C@H]([N@H+]1CCC[C@H](CC#N)C1)C2 ZINC001256649326 806940257 /nfs/dbraw/zinc/94/02/57/806940257.db2.gz BLPBKTVIQHWEDI-ZBFHGGJFSA-N 1 1 284.403 3.178 20 30 CGEDMO C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001089683525 801849363 /nfs/dbraw/zinc/84/93/63/801849363.db2.gz YTZZGZQFXVBJHW-BZUAXINKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC(C)(C)C2)[C@H](C)C1 ZINC001093236827 801865914 /nfs/dbraw/zinc/86/59/14/801865914.db2.gz HPTNEIKNIKOGIU-BZUAXINKSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CC)cc1)C2 ZINC001096472300 801889141 /nfs/dbraw/zinc/88/91/41/801889141.db2.gz OKUMKZXBCNGOEG-SQNIBIBYSA-N 1 1 298.430 3.160 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1=CCCCCC1)C2 ZINC001096999168 801897030 /nfs/dbraw/zinc/89/70/30/801897030.db2.gz RTIZUBVBSDNNBF-ZACQAIPSSA-N 1 1 288.435 3.175 20 30 CGEDMO C=CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)c1ccccc1C)C2 ZINC001098451266 801910647 /nfs/dbraw/zinc/91/06/47/801910647.db2.gz BKSWUGNZHALELC-AHCXZYCDSA-N 1 1 298.430 3.006 20 30 CGEDMO C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCCC ZINC001098909714 801920848 /nfs/dbraw/zinc/92/08/48/801920848.db2.gz CPKQGNSXRVBSNH-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC(CC=C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC ZINC001099092668 801929190 /nfs/dbraw/zinc/92/91/90/801929190.db2.gz ICJZWSUQINEZCS-MRXNPFEDSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC1(C)CC1 ZINC001099149115 801929903 /nfs/dbraw/zinc/92/99/03/801929903.db2.gz PMGRPTRFLLCGRJ-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@@H](C)C1CC1 ZINC001099360553 801936033 /nfs/dbraw/zinc/93/60/33/801936033.db2.gz YPNPXSUJHOXSNM-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C)C(CC)CC)C[C@]2(C)C1 ZINC001101283977 801975768 /nfs/dbraw/zinc/97/57/68/801975768.db2.gz GHRUSLXMFDEYIH-LESCRADOSA-N 1 1 292.467 3.025 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H](CNC(=O)CC(C)C)[C@H](C)C1 ZINC001101691140 801985729 /nfs/dbraw/zinc/98/57/29/801985729.db2.gz HVQBZWUVCUKBGO-BZUAXINKSA-N 1 1 280.456 3.071 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](CNC(=O)C[C@@H](C)C(C)C)[C@H](C)C1 ZINC001101808002 801991917 /nfs/dbraw/zinc/99/19/17/801991917.db2.gz QGLJTRXYKYPUDY-BRWVUGGUSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1C[N@@H+](CCCC)C[C@H]1C ZINC001102003923 801997430 /nfs/dbraw/zinc/99/74/30/801997430.db2.gz WDOWEUVPEPNFBP-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CC(C)(C)CC(=O)NC[C@@H]1C[N@@H+](C[C@H](F)CC)C[C@H]1C ZINC001102006894 801998774 /nfs/dbraw/zinc/99/87/74/801998774.db2.gz ZJICMPYALDJEGO-RBSFLKMASA-N 1 1 298.446 3.021 20 30 CGEDMO CCCCCCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2C)[C@H](C)C1 ZINC001102226216 802000565 /nfs/dbraw/zinc/00/05/65/802000565.db2.gz GXWSRSQBCGZPKQ-QBPKDAKJSA-N 1 1 294.483 3.297 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)CC(C)=C(C)C)[C@H](C)C1 ZINC001102235241 802002292 /nfs/dbraw/zinc/00/22/92/802002292.db2.gz VDEFJYWSHCBXNJ-UKRRQHHQSA-N 1 1 298.858 3.169 20 30 CGEDMO C=CCCCC(=O)NC[C@@H]1C[N@@H+](C[C@H](C)CC)C[C@H]1C ZINC001102297364 802003694 /nfs/dbraw/zinc/00/36/94/802003694.db2.gz WKZRIWQAJMUSFI-BZUAXINKSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@@H]1C[N@@H+](C/C=C\Cl)C[C@H]1C ZINC001102264670 802005382 /nfs/dbraw/zinc/00/53/82/802005382.db2.gz VBSSSEAOUASBDF-XQIWKARSSA-N 1 1 298.858 3.025 20 30 CGEDMO C=C(C)CCC(=O)NCC[C@@H]1C[N@@H+](CCCC)C[C@H]1C ZINC001103040433 802027120 /nfs/dbraw/zinc/02/71/20/802027120.db2.gz VXBJUPMUOWXCGJ-HZPDHXFCSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C/C=C(\C)C=C)C1 ZINC001103329416 802031484 /nfs/dbraw/zinc/03/14/84/802031484.db2.gz PKGCZBMHHXFKCH-DWDUUHQUSA-N 1 1 290.451 3.159 20 30 CGEDMO C=C[C@H](CC)CC(=O)NCC[C@@H]1C[N@@H+](CC2CC2)C[C@H]1C ZINC001103346467 802031835 /nfs/dbraw/zinc/03/18/35/802031835.db2.gz MVBGJMVZMDVVRX-BFYDXBDKSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCC(C)(C)C(=O)NCC[C@@H]1C[N@H+](CC(=C)C)C[C@H]1C ZINC001103475040 802035265 /nfs/dbraw/zinc/03/52/65/802035265.db2.gz QLFSAFJFFLVVDE-HZPDHXFCSA-N 1 1 292.467 3.239 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC(CC)CC)C1 ZINC001103580280 802036958 /nfs/dbraw/zinc/03/69/58/802036958.db2.gz IPRBYOKVCXGNBD-NVXWUHKLSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)C[C@@H](C=C)CC)CCC[C@@H]12 ZINC001107515549 802089985 /nfs/dbraw/zinc/08/99/85/802089985.db2.gz XGTYIICCJKEXLG-LZLYRXPVSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)C(C)C)CCC[C@@H]12 ZINC001107567342 802090279 /nfs/dbraw/zinc/09/02/79/802090279.db2.gz RRAYBCYCGHNCHK-LZLYRXPVSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C=C(C)C)C2 ZINC001108897134 802101302 /nfs/dbraw/zinc/10/13/02/802101302.db2.gz KLXXNLCMLYVJPD-WCVJEAGWSA-N 1 1 276.424 3.029 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC1CC1)C2 ZINC001109104858 802107566 /nfs/dbraw/zinc/10/75/66/802107566.db2.gz RQCWVBPRIYJGFK-ORQFMDKSSA-N 1 1 290.451 3.253 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C=C(/C)CC)C2 ZINC001109245427 802111839 /nfs/dbraw/zinc/11/18/39/802111839.db2.gz QMUIRTUVFWBDSD-GXHJNHOSSA-N 1 1 276.424 3.030 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)CCCC)C2 ZINC001109231808 802112309 /nfs/dbraw/zinc/11/23/09/802112309.db2.gz YBZLGVRSCBETJP-FZKCQIBNSA-N 1 1 278.440 3.110 20 30 CGEDMO C=C/C(C)=C/CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(=C)C ZINC001109617223 802118238 /nfs/dbraw/zinc/11/82/38/802118238.db2.gz JENGUIXNZKVLOH-UHVKSXBRSA-N 1 1 288.435 3.197 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C/C=C\Cl ZINC001109634254 802121327 /nfs/dbraw/zinc/12/13/27/802121327.db2.gz IEMWBBVHGFNQCS-CPYXDMQRSA-N 1 1 296.842 3.063 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C/C=C\Cl ZINC001109634254 802121330 /nfs/dbraw/zinc/12/13/30/802121330.db2.gz IEMWBBVHGFNQCS-CPYXDMQRSA-N 1 1 296.842 3.063 20 30 CGEDMO C=CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](C)CC ZINC001109657450 802121642 /nfs/dbraw/zinc/12/16/42/802121642.db2.gz PPVBIRBFGRSQPL-WCVJEAGWSA-N 1 1 278.440 3.110 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(C)C ZINC001109679345 802122720 /nfs/dbraw/zinc/12/27/20/802122720.db2.gz XEOVYZOSTZCVRV-MUQADHOPSA-N 1 1 290.451 3.276 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C)C2 ZINC001110016446 802129676 /nfs/dbraw/zinc/12/96/76/802129676.db2.gz ORUCMIFJJFFDMA-XGUBFFRZSA-N 1 1 278.440 3.109 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](C)CC(C)C ZINC001110378778 802137771 /nfs/dbraw/zinc/13/77/71/802137771.db2.gz HQXVDKLOZGDCAF-HZMVEIRTSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C=C(CC)CC)C2 ZINC001110446684 802142933 /nfs/dbraw/zinc/14/29/33/802142933.db2.gz SYJUQHDODJBOFO-ZACQAIPSSA-N 1 1 290.451 3.421 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC=C(C)C ZINC001110933314 802149832 /nfs/dbraw/zinc/14/98/32/802149832.db2.gz JKEZHGZQIOLZSO-HZMVEIRTSA-N 1 1 290.451 3.276 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC=C ZINC001110967080 802151894 /nfs/dbraw/zinc/15/18/94/802151894.db2.gz RHLCHDACKBJCDJ-OAGGEKHMSA-N 1 1 276.424 3.030 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C)CC(=C)C1)C2 ZINC001111002114 802152518 /nfs/dbraw/zinc/15/25/18/802152518.db2.gz VUQNNVABHJCTJW-OAGGEKHMSA-N 1 1 288.435 3.030 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(CCCC)CC1)C2 ZINC001110986051 802153043 /nfs/dbraw/zinc/15/30/43/802153043.db2.gz FSNNBLVGNIELJU-OAGGEKHMSA-N 1 1 290.451 3.254 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC(C)(C)C)C1 ZINC001111593777 802162777 /nfs/dbraw/zinc/16/27/77/802162777.db2.gz ONLQPOKPDRHTBR-BBRMVZONSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC(C)(C)C)C1 ZINC001111593777 802162783 /nfs/dbraw/zinc/16/27/83/802162783.db2.gz ONLQPOKPDRHTBR-BBRMVZONSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@@H](C)C(C)C)C1 ZINC001111654057 802165098 /nfs/dbraw/zinc/16/50/98/802165098.db2.gz GEDSDGYURRLNMP-RYRKJORJSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@H+]([C@H](C)CCC=C)C2 ZINC001111650060 802165415 /nfs/dbraw/zinc/16/54/15/802165415.db2.gz CGIOXODEALLAAL-RYRKJORJSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)CCCC)C1 ZINC001111732451 802166113 /nfs/dbraw/zinc/16/61/13/802166113.db2.gz PFWJUVGLTVJWEM-BQFCYCMXSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](C)CC)C1 ZINC001111727881 802167395 /nfs/dbraw/zinc/16/73/95/802167395.db2.gz NZXVHPPVUCXYIR-RYRKJORJSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](C[C@@H](C)CC)C2 ZINC001111765072 802168637 /nfs/dbraw/zinc/16/86/37/802168637.db2.gz SEYTZIRQGJDNDL-BQFCYCMXSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)C(CC)CC)C1 ZINC001111794778 802168809 /nfs/dbraw/zinc/16/88/09/802168809.db2.gz JKXHWYLZWOOIOY-ZVZYQTTQSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)CCC)C1 ZINC001111917032 802171860 /nfs/dbraw/zinc/17/18/60/802171860.db2.gz JQACRTCFCAXXSB-RYRKJORJSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H](CC)C(C)C)C1 ZINC001111943543 802173074 /nfs/dbraw/zinc/17/30/74/802173074.db2.gz VBAFZCJZDYPXHM-BQFCYCMXSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)CCCCC(C)(C)C)CC1 ZINC001112880111 802193617 /nfs/dbraw/zinc/19/36/17/802193617.db2.gz NRIHFZIKZDTCBI-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCCCCC[NH+]1CCN(C(=O)c2cocc2C)CC1 ZINC001113203779 802203925 /nfs/dbraw/zinc/20/39/25/802203925.db2.gz LSJVHCTUFFMSIT-UHFFFAOYSA-N 1 1 290.407 3.092 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)C(C)(C)C ZINC001114696147 802243302 /nfs/dbraw/zinc/24/33/02/802243302.db2.gz SCFZCSRUJFFXLY-FICVDOATSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CCCC)C(C)C ZINC001115315473 802255213 /nfs/dbraw/zinc/25/52/13/802255213.db2.gz DDXMQLMFKNYJIP-MWDXBVQZSA-N 1 1 292.467 3.071 20 30 CGEDMO C=C[C@@H](COC)[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC001116643105 802389773 /nfs/dbraw/zinc/38/97/73/802389773.db2.gz JAXGBHFSZFBOFP-ONGXEEELSA-N 1 1 257.736 3.331 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CC[C@@H](OC(=O)OC(C)(C)C)C1 ZINC001172490973 808350547 /nfs/dbraw/zinc/35/05/47/808350547.db2.gz BEASDJVFUCURBE-QWHCGFSZSA-N 1 1 282.384 3.095 20 30 CGEDMO Cn1cc(-c2ccc(C[N@H+]3CCC[C@@H](CC#N)C3)cc2)cn1 ZINC001118650507 802591886 /nfs/dbraw/zinc/59/18/86/802591886.db2.gz OLBFINUNPLAUIW-HNNXBMFYSA-N 1 1 294.402 3.213 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccncc2Br)C1 ZINC001118825782 802607695 /nfs/dbraw/zinc/60/76/95/802607695.db2.gz AGOWZFWQWVJGKR-GFCCVEGCSA-N 1 1 293.208 3.079 20 30 CGEDMO C=CC1CC[NH+](Cc2snc(OC)c2Cl)CC1 ZINC001179863663 809953242 /nfs/dbraw/zinc/95/32/42/809953242.db2.gz RCTIUEJCRFCDLZ-UHFFFAOYSA-N 1 1 272.801 3.203 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](C[C@H]2[C@H](c3ccccc3)C2(F)F)C1 ZINC001119729300 802695782 /nfs/dbraw/zinc/69/57/82/802695782.db2.gz NKPPDMQJNAEOQW-JYJNAYRXSA-N 1 1 293.357 3.312 20 30 CGEDMO N#Cc1cc(Cl)cc(C[NH2+][C@H](CCO)c2ccco2)c1 ZINC001119741466 802696490 /nfs/dbraw/zinc/69/64/90/802696490.db2.gz XXAMZGRGDSJLFE-CQSZACIVSA-N 1 1 290.750 3.018 20 30 CGEDMO C[C@@H]1C[C@H](C[N@@H+]2CCCC(C)(C)[C@H]2C#N)C[C@H](C)O1 ZINC001119770516 802698726 /nfs/dbraw/zinc/69/87/26/802698726.db2.gz BCVYQBONJMMFJH-CBBWQLFWSA-N 1 1 264.413 3.204 20 30 CGEDMO C[C@@H]1C[C@H](C[N@H+]2CCCC(C)(C)[C@H]2C#N)C[C@H](C)O1 ZINC001119770516 802698731 /nfs/dbraw/zinc/69/87/31/802698731.db2.gz BCVYQBONJMMFJH-CBBWQLFWSA-N 1 1 264.413 3.204 20 30 CGEDMO C=C(C)c1cccc(NC(=O)c2cc(C[NH+](C)C)on2)c1 ZINC001119922893 802707725 /nfs/dbraw/zinc/70/77/25/802707725.db2.gz SMOHTQIWICQYNU-UHFFFAOYSA-N 1 1 285.347 3.022 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)CC)C1 ZINC001120272767 802737184 /nfs/dbraw/zinc/73/71/84/802737184.db2.gz UQIYOQGBTDZEEF-HZPDHXFCSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN(C(=O)C(C)C)C1 ZINC001120309105 802739284 /nfs/dbraw/zinc/73/92/84/802739284.db2.gz IVBAIIDMLNAPRN-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]([C@@H]2CCC[N@@H+]2CCC)C1 ZINC001120392278 802743255 /nfs/dbraw/zinc/74/32/55/802743255.db2.gz LNXPIQSTQBMVQO-IRXDYDNUSA-N 1 1 292.467 3.456 20 30 CGEDMO C[N@H+]1CC[C@@H](c2ccc(-c3ccc(C#N)cc3N)cc2)C1 ZINC001244092958 803180889 /nfs/dbraw/zinc/18/08/89/803180889.db2.gz DRAVRHGHQOIPCE-MRXNPFEDSA-N 1 1 277.371 3.227 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](NC(=O)CCCCC)CC[C@H]1C ZINC001131816108 803348208 /nfs/dbraw/zinc/34/82/08/803348208.db2.gz CGJHJWWEPXUISZ-CABCVRRESA-N 1 1 266.429 3.112 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)CSC(C)C)CC[C@H]1C ZINC001131862971 803352577 /nfs/dbraw/zinc/35/25/77/803352577.db2.gz YZZUQBNSXUVUHO-HUUCEWRRSA-N 1 1 298.496 3.063 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(CC)CC)C1 ZINC001131896900 803355076 /nfs/dbraw/zinc/35/50/76/803355076.db2.gz WZDXMQWIWMTBPY-GOEBONIOSA-N 1 1 280.456 3.358 20 30 CGEDMO C#CCC[N@@H+]1C[C@H](NC(=O)CCCC(C)(C)C)CC[C@@H]1C ZINC001131899063 803355142 /nfs/dbraw/zinc/35/51/42/803355142.db2.gz HWRIQCHLCSLRKE-JKSUJKDBSA-N 1 1 292.467 3.195 20 30 CGEDMO CC(C)C#CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCC(C)(C)C)C1 ZINC001132020994 803367200 /nfs/dbraw/zinc/36/72/00/803367200.db2.gz JQUPOCSZICMOKD-JKSUJKDBSA-N 1 1 292.467 3.051 20 30 CGEDMO CC(C)CC[N@H+]1C[C@@H](NC(=O)C#CC(C)(C)C)CC[C@@H]1C ZINC001132039428 803368900 /nfs/dbraw/zinc/36/89/00/803368900.db2.gz YVQKWKVVJIAJMB-HOTGVXAUSA-N 1 1 292.467 3.051 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](C/C=C\Cl)C1 ZINC001132073578 803371953 /nfs/dbraw/zinc/37/19/53/803371953.db2.gz WSQAQXVMUAYPFX-LTZSUWJESA-N 1 1 284.831 3.064 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](C/C=C\Cl)C1 ZINC001132073578 803371958 /nfs/dbraw/zinc/37/19/58/803371958.db2.gz WSQAQXVMUAYPFX-LTZSUWJESA-N 1 1 284.831 3.064 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)C2(CCF)CC2)CC[C@@H]1C ZINC001132198697 803378723 /nfs/dbraw/zinc/37/87/23/803378723.db2.gz ASRMGRBUOGOWRJ-LSDHHAIUSA-N 1 1 296.430 3.062 20 30 CGEDMO CC#CCCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CCCCC)C1 ZINC001132223572 803380821 /nfs/dbraw/zinc/38/08/21/803380821.db2.gz FDAGEUMVYBKREP-DLBZAZTESA-N 1 1 292.467 3.339 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](CCCCCF)C1 ZINC001132228043 803382289 /nfs/dbraw/zinc/38/22/89/803382289.db2.gz LLNQNVCLYWREBM-CABCVRRESA-N 1 1 298.446 3.308 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(C)(C)C)CC[C@H]1C ZINC001132240545 803385080 /nfs/dbraw/zinc/38/50/80/803385080.db2.gz IPJDJWINZHIFEH-KGLIPLIRSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)C(CCC)CCC)CC[C@@H]1C ZINC001132244748 803386901 /nfs/dbraw/zinc/38/69/01/803386901.db2.gz KFZKFQGJJSDYNS-HOCLYGCPSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCCC2CC2)CC[C@H]1C ZINC001132244916 803387309 /nfs/dbraw/zinc/38/73/09/803387309.db2.gz KXWZRXCDFMUCDL-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC=C(C)C)C1 ZINC001132248592 803387858 /nfs/dbraw/zinc/38/78/58/803387858.db2.gz HAODONQRXZBNSF-CVEARBPZSA-N 1 1 278.440 3.278 20 30 CGEDMO C=CCCC1(C(=O)N[C@H]2CC[C@@H](C)[N@H+](CCCF)C2)CC1 ZINC001132290581 803391579 /nfs/dbraw/zinc/39/15/79/803391579.db2.gz FJXQULJFWNVJQB-CABCVRRESA-N 1 1 296.430 3.062 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[C@H](C)[N@@H+](CCC)C2)CCC1 ZINC001132282053 803391829 /nfs/dbraw/zinc/39/18/29/803391829.db2.gz HPBZGEFHEDLGFD-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)CCCCC(C)C)CC[C@@H]1C ZINC001132369423 803397155 /nfs/dbraw/zinc/39/71/55/803397155.db2.gz XDYWBHUNRXSUKC-HOTGVXAUSA-N 1 1 280.456 3.358 20 30 CGEDMO C#CCC[N@H+]1C[C@@H](NC(=O)C(CC)(CC)CC)CC[C@H]1C ZINC001132383944 803399389 /nfs/dbraw/zinc/39/93/89/803399389.db2.gz GNRYOWPIWOQKLF-CVEARBPZSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](NC(=O)C(C)(CC)CC)CC[C@@H]1C ZINC001132494375 803409310 /nfs/dbraw/zinc/40/93/10/803409310.db2.gz RWUVKVHSOQSTMK-GJZGRUSLSA-N 1 1 280.456 3.358 20 30 CGEDMO CCCC[N@H+](CCC#N)Cc1cc2ccccc2[nH]c1=O ZINC001137186338 803694942 /nfs/dbraw/zinc/69/49/42/803694942.db2.gz QUGYWWHDVRMYNO-UHFFFAOYSA-N 1 1 283.375 3.456 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1cc2ccccc2[nH]c1=O ZINC001137186338 803694943 /nfs/dbraw/zinc/69/49/43/803694943.db2.gz QUGYWWHDVRMYNO-UHFFFAOYSA-N 1 1 283.375 3.456 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC001137395086 803729100 /nfs/dbraw/zinc/72/91/00/803729100.db2.gz MVVBGOFEWUAUEX-SFHVURJKSA-N 1 1 277.371 3.484 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](Cc2cccc(-c3ccncc3)c2)C1 ZINC001137395086 803729105 /nfs/dbraw/zinc/72/91/05/803729105.db2.gz MVVBGOFEWUAUEX-SFHVURJKSA-N 1 1 277.371 3.484 20 30 CGEDMO COc1ccc(C[N@H+]2CCCCC23CC3)c(C#N)c1 ZINC001137704910 803760555 /nfs/dbraw/zinc/76/05/55/803760555.db2.gz ZIBLJLIHWWILBH-UHFFFAOYSA-N 1 1 256.349 3.085 20 30 CGEDMO COc1ccc(C[N@H+](C)Cc2ccc(OC)cc2C#N)cc1 ZINC001137699773 803761268 /nfs/dbraw/zinc/76/12/68/803761268.db2.gz UHJIKQVGCNTFQC-UHFFFAOYSA-N 1 1 296.370 3.207 20 30 CGEDMO COc1ccc(C[N@@H+](C)Cc2ccc(OC)cc2C#N)cc1 ZINC001137699773 803761272 /nfs/dbraw/zinc/76/12/72/803761272.db2.gz UHJIKQVGCNTFQC-UHFFFAOYSA-N 1 1 296.370 3.207 20 30 CGEDMO Cc1ccc(C[N@@H+]2CC[C@@H](C#N)C2)c2ccccc12 ZINC001138016620 803826225 /nfs/dbraw/zinc/82/62/25/803826225.db2.gz KHDWQOZNPMLJLQ-AWEZNQCLSA-N 1 1 250.345 3.494 20 30 CGEDMO Cc1ccc(C[N@H+]2CC[C@@H](C#N)C2)c2ccccc12 ZINC001138016620 803826232 /nfs/dbraw/zinc/82/62/32/803826232.db2.gz KHDWQOZNPMLJLQ-AWEZNQCLSA-N 1 1 250.345 3.494 20 30 CGEDMO Cc1ccc(C#N)c(-c2cccc(C[NH+]3CCOCC3)c2)c1 ZINC001245604445 803847724 /nfs/dbraw/zinc/84/77/24/803847724.db2.gz UGOUBUSGGCGAAU-UHFFFAOYSA-N 1 1 292.382 3.366 20 30 CGEDMO C#CCOc1ccc(C[N@@H+](CC2CC2)C2CC2)cc1OC ZINC001138346363 803899414 /nfs/dbraw/zinc/89/94/14/803899414.db2.gz CGMFJAVKXJTOSL-UHFFFAOYSA-N 1 1 285.387 3.082 20 30 CGEDMO Cc1c2ccccc2[nH]c1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC001138401974 803919592 /nfs/dbraw/zinc/91/95/92/803919592.db2.gz YYRJFUYIHSQZIK-MRXNPFEDSA-N 1 1 253.349 3.212 20 30 CGEDMO Cc1c2ccccc2[nH]c1C[N@H+]1CC[C@](C)(C#N)C1 ZINC001138401974 803919598 /nfs/dbraw/zinc/91/95/98/803919598.db2.gz YYRJFUYIHSQZIK-MRXNPFEDSA-N 1 1 253.349 3.212 20 30 CGEDMO C=CC[NH+](CC=C)Cc1cc(F)c(OC)c(F)c1 ZINC001138424869 803930647 /nfs/dbraw/zinc/93/06/47/803930647.db2.gz GIQRIEBUOVWURC-UHFFFAOYSA-N 1 1 253.292 3.147 20 30 CGEDMO COc1cc(C)c(C[N@H+]2CCC[C@H](C#N)CC2)cc1OC ZINC001138442325 803939058 /nfs/dbraw/zinc/93/90/58/803939058.db2.gz LOXQOGZPSLZQST-AWEZNQCLSA-N 1 1 288.391 3.138 20 30 CGEDMO C#CCOc1ccc(C[N@@H+](C)C[C@@H]2CC2(C)C)cc1 ZINC001138557598 803966101 /nfs/dbraw/zinc/96/61/01/803966101.db2.gz MXTJMJPGBZUKGW-HNNXBMFYSA-N 1 1 257.377 3.177 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)cc1 ZINC001138556436 803967263 /nfs/dbraw/zinc/96/72/63/803967263.db2.gz VRWZSGCNUJBJNA-GASCZTMLSA-N 1 1 291.341 3.176 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CCC[C@H]2c2cnccn2)c1O ZINC001138628359 803985410 /nfs/dbraw/zinc/98/54/10/803985410.db2.gz TTXSIIBMDMLUIQ-KRWDZBQOSA-N 1 1 295.386 3.248 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1CCC[C@H](C)[C@H]1CO ZINC001138662317 803994615 /nfs/dbraw/zinc/99/46/15/803994615.db2.gz UFQQSGSSBYJIDF-DOTOQJQBSA-N 1 1 289.419 3.234 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CCC[C@@H](C(C)=O)C1 ZINC001138665548 803997101 /nfs/dbraw/zinc/99/71/01/803997101.db2.gz PNVKTIKDMRDAIZ-MRXNPFEDSA-N 1 1 287.403 3.443 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCCO3)CC1 ZINC001138716812 804013820 /nfs/dbraw/zinc/01/38/20/804013820.db2.gz ZFDMYSFRTXITED-AWEZNQCLSA-N 1 1 270.376 3.137 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(OC(F)(F)F)cc1OC ZINC001138849193 804060102 /nfs/dbraw/zinc/06/01/02/804060102.db2.gz GOYWUVXDOSWTAW-UHFFFAOYSA-N 1 1 275.270 3.212 20 30 CGEDMO CCCCCCCC[C@H](O)CNc1cc[nH+]c(CN)c1 ZINC001245957382 804089338 /nfs/dbraw/zinc/08/93/38/804089338.db2.gz UAXZWUIEYXDOLJ-INIZCTEOSA-N 1 1 279.428 3.064 20 30 CGEDMO CCCCCCCCCC[C@@H](O)C[NH2+]CC(C)(C)N ZINC001245989992 804095507 /nfs/dbraw/zinc/09/55/07/804095507.db2.gz HUEUMQWPPSUDDN-OAHLLOKOSA-N 1 1 272.477 3.205 20 30 CGEDMO CCCCCCCCCC[C@@H](O)CNCC(C)(C)[NH3+] ZINC001245989992 804095516 /nfs/dbraw/zinc/09/55/16/804095516.db2.gz HUEUMQWPPSUDDN-OAHLLOKOSA-N 1 1 272.477 3.205 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCNC2=CCCC[C@@H]21 ZINC001246064366 804107193 /nfs/dbraw/zinc/10/71/93/804107193.db2.gz LPVPOJZFRDPKMV-AEFFLSMTSA-N 1 1 292.467 3.216 20 30 CGEDMO C=CCCCCCC[C@@H](O)CN1CC[NH2+]C2=CCCC[C@@H]21 ZINC001246064366 804107195 /nfs/dbraw/zinc/10/71/95/804107195.db2.gz LPVPOJZFRDPKMV-AEFFLSMTSA-N 1 1 292.467 3.216 20 30 CGEDMO C=C1C[C@@H]2CC([NH2+]C[C@H]3CC[C@H](C)CN3)C[C@H](C1)C2 ZINC001246109530 804141592 /nfs/dbraw/zinc/14/15/92/804141592.db2.gz XWCUMKNNAJHXLE-UOKSAXCWSA-N 1 1 262.441 3.099 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1ccc2ccn(C)c2c1 ZINC001139203997 804161481 /nfs/dbraw/zinc/16/14/81/804161481.db2.gz FIRAGOBKWJUCKA-UHFFFAOYSA-N 1 1 255.365 3.304 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1ccc2ccn(C)c2c1 ZINC001139203997 804161489 /nfs/dbraw/zinc/16/14/89/804161489.db2.gz FIRAGOBKWJUCKA-UHFFFAOYSA-N 1 1 255.365 3.304 20 30 CGEDMO C=CC[N@H+](Cc1c(N)c(OC)ccc1OC)C(C)(C)C ZINC001139279947 804171805 /nfs/dbraw/zinc/17/18/05/804171805.db2.gz ZFSJRBSMCILKOM-UHFFFAOYSA-N 1 1 278.396 3.073 20 30 CGEDMO Cc1nc2cc(C)ccn2c1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001139676571 804249987 /nfs/dbraw/zinc/24/99/87/804249987.db2.gz FMEDBUDACQVFNS-OAHLLOKOSA-N 1 1 282.391 3.077 20 30 CGEDMO C[N@@H+](CCc1ccncc1)Cc1cccc(Cl)c1C#N ZINC001139691349 804256339 /nfs/dbraw/zinc/25/63/39/804256339.db2.gz VJQBKLITKIBBMG-UHFFFAOYSA-N 1 1 285.778 3.281 20 30 CGEDMO N#Cc1cccc2c(C[N@H+]3CC[C@]4(C3)CCCCO4)c[nH]c21 ZINC001139702372 804257830 /nfs/dbraw/zinc/25/78/30/804257830.db2.gz CBEAPGRMWUJKGH-SFHVURJKSA-N 1 1 295.386 3.185 20 30 CGEDMO C=CCC[N@@H+](Cc1cn2ccncc2n1)Cc1ccccc1 ZINC001139696992 804258884 /nfs/dbraw/zinc/25/88/84/804258884.db2.gz UPRIKGHDPDYTSK-UHFFFAOYSA-N 1 1 292.386 3.308 20 30 CGEDMO C[N@@H+](CCC1CC1)Cc1c[nH]c2c1cccc2C#N ZINC001139704624 804260042 /nfs/dbraw/zinc/26/00/42/804260042.db2.gz ARXILKUTHIPAIW-UHFFFAOYSA-N 1 1 253.349 3.271 20 30 CGEDMO CC(C)[N@@H+](CCCCCO)Cc1c[nH]c2c1cccc2C#N ZINC001139706806 804260961 /nfs/dbraw/zinc/26/09/61/804260961.db2.gz IOLKPFOGCPAIBF-UHFFFAOYSA-N 1 1 299.418 3.413 20 30 CGEDMO Cc1ccc(C[NH+]2CC3(C2)CC(F)(F)CS3)cc1C#N ZINC001139725843 804267152 /nfs/dbraw/zinc/26/71/52/804267152.db2.gz GACUJZYYBBWKLT-UHFFFAOYSA-N 1 1 294.370 3.193 20 30 CGEDMO C=CCn1cc(C[N@H+]2CCC[C@H]2c2cccs2)cn1 ZINC001139770236 804278513 /nfs/dbraw/zinc/27/85/13/804278513.db2.gz ILNIJGTVOLKCTK-AWEZNQCLSA-N 1 1 273.405 3.468 20 30 CGEDMO C=CCn1cc(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)cn1 ZINC001139772659 804280571 /nfs/dbraw/zinc/28/05/71/804280571.db2.gz OENMABOKPCAHLE-INIZCTEOSA-N 1 1 285.366 3.198 20 30 CGEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc3ccncc3c2)no1 ZINC001212325148 815005606 /nfs/dbraw/zinc/00/56/06/815005606.db2.gz KLMGBGAXRPWFGK-HNNXBMFYSA-N 1 1 292.342 3.088 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)C1C[C@H](C)C[C@@H](C)C1 ZINC001139869652 804302235 /nfs/dbraw/zinc/30/22/35/804302235.db2.gz OQKOGDUJXUHGQL-HUUCEWRRSA-N 1 1 280.456 3.025 20 30 CGEDMO CC[N@H+](Cc1cccnc1)Cc1cc(F)cc(C#N)c1 ZINC001139875550 804306595 /nfs/dbraw/zinc/30/65/95/804306595.db2.gz TZGUUIVTJPRMKW-UHFFFAOYSA-N 1 1 269.323 3.114 20 30 CGEDMO CC[N@@H+](Cc1cccnc1)Cc1cc(F)cc(C#N)c1 ZINC001139875550 804306604 /nfs/dbraw/zinc/30/66/04/804306604.db2.gz TZGUUIVTJPRMKW-UHFFFAOYSA-N 1 1 269.323 3.114 20 30 CGEDMO C[N@H+](Cc1ccc(Cl)nc1)Cc1cc(F)cc(C#N)c1 ZINC001139876277 804307296 /nfs/dbraw/zinc/30/72/96/804307296.db2.gz PODQGHOSGFARSE-UHFFFAOYSA-N 1 1 289.741 3.378 20 30 CGEDMO C[N@@H+](Cc1ccc(Cl)nc1)Cc1cc(F)cc(C#N)c1 ZINC001139876277 804307307 /nfs/dbraw/zinc/30/73/07/804307307.db2.gz PODQGHOSGFARSE-UHFFFAOYSA-N 1 1 289.741 3.378 20 30 CGEDMO COc1c(Cl)cccc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001140067939 804370640 /nfs/dbraw/zinc/37/06/40/804370640.db2.gz UBJIDKYKCVBZCH-GFCCVEGCSA-N 1 1 278.783 3.474 20 30 CGEDMO COc1c(Cl)cccc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001140067939 804370647 /nfs/dbraw/zinc/37/06/47/804370647.db2.gz UBJIDKYKCVBZCH-GFCCVEGCSA-N 1 1 278.783 3.474 20 30 CGEDMO N#Cc1c2ccccc2sc1Nc1ccc[nH+]c1N ZINC001212393540 815016069 /nfs/dbraw/zinc/01/60/69/815016069.db2.gz HISFPFILJZAFDU-UHFFFAOYSA-N 1 1 266.329 3.494 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3C[C@H](C)CC[C@@H]3CN)C[C@H](C1)C2 ZINC001246553048 804403061 /nfs/dbraw/zinc/40/30/61/804403061.db2.gz ALKYTQTYPAWRMX-KYEPVHRCSA-N 1 1 262.441 3.181 20 30 CGEDMO CCCCCCCCCC[C@H](C)[N@@H+]1CC[C@@H](O)[C@H](N)C1 ZINC001246567819 804415721 /nfs/dbraw/zinc/41/57/21/804415721.db2.gz NZFTVXPLRJIOFG-GVDBMIGSSA-N 1 1 284.488 3.300 20 30 CGEDMO CCCCCCCCCC[C@H](C)[N@H+]1CC[C@@H](O)[C@H](N)C1 ZINC001246567819 804415724 /nfs/dbraw/zinc/41/57/24/804415724.db2.gz NZFTVXPLRJIOFG-GVDBMIGSSA-N 1 1 284.488 3.300 20 30 CGEDMO CCCCCCCC[C@@H](CCC)[N@H+]1CC[C@@H](O)[C@H](N)C1 ZINC001246572971 804419057 /nfs/dbraw/zinc/41/90/57/804419057.db2.gz LPFRARYBARXQJA-BRWVUGGUSA-N 1 1 284.488 3.300 20 30 CGEDMO CCCCCCCC[C@@H](CCC)N1CC[C@@H](O)[C@H]([NH3+])C1 ZINC001246572971 804419061 /nfs/dbraw/zinc/41/90/61/804419061.db2.gz LPFRARYBARXQJA-BRWVUGGUSA-N 1 1 284.488 3.300 20 30 CGEDMO CCCCCCC[C@H](CCC)[N@H+]1CCN[C@@H](COC)C1 ZINC001246590218 804433767 /nfs/dbraw/zinc/43/37/67/804433767.db2.gz BUJXECNXPUMYDP-SJORKVTESA-N 1 1 284.488 3.436 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@@H](c2ccccc2)C2(CNC2)C1 ZINC001246616677 804452481 /nfs/dbraw/zinc/45/24/81/804452481.db2.gz ADUFTLKLPNYQMY-RDJZCZTQSA-N 1 1 270.420 3.030 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](c2ccccc2)C2(CNC2)C1 ZINC001246616677 804452483 /nfs/dbraw/zinc/45/24/83/804452483.db2.gz ADUFTLKLPNYQMY-RDJZCZTQSA-N 1 1 270.420 3.030 20 30 CGEDMO N#Cc1ccc(Nc2ccc[nH+]c2N)c(F)c1Cl ZINC001212405687 815020413 /nfs/dbraw/zinc/02/04/13/815020413.db2.gz IVOPRJGSKYUWDS-UHFFFAOYSA-N 1 1 262.675 3.072 20 30 CGEDMO Cc1ccc(O)c(C[N@@H+](CCC#N)C2CCCC2)c1 ZINC001140621322 804477101 /nfs/dbraw/zinc/47/71/01/804477101.db2.gz VXHDGTKXBKKQNO-UHFFFAOYSA-N 1 1 258.365 3.359 20 30 CGEDMO Cc1cc(C[N@H+]2CCc3ccc(C#N)cc3C2)cc(C)c1O ZINC001140657592 804486013 /nfs/dbraw/zinc/48/60/13/804486013.db2.gz BELIGVUKOMREEY-UHFFFAOYSA-N 1 1 292.382 3.439 20 30 CGEDMO N#Cc1ccc2c(c1)CC[N@@H+](Cc1cc(Cl)ccc1N)C2 ZINC001140716357 804494446 /nfs/dbraw/zinc/49/44/46/804494446.db2.gz KUTXXRBFDBFIEN-UHFFFAOYSA-N 1 1 297.789 3.352 20 30 CGEDMO N#Cc1ccc2c(c1)CC[N@H+](Cc1cc(Cl)ccc1N)C2 ZINC001140716357 804494450 /nfs/dbraw/zinc/49/44/50/804494450.db2.gz KUTXXRBFDBFIEN-UHFFFAOYSA-N 1 1 297.789 3.352 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140753247 804505712 /nfs/dbraw/zinc/50/57/12/804505712.db2.gz CLPVGOSKVFOIBD-UHFFFAOYSA-N 1 1 297.308 3.340 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cc(F)c(C#N)c(F)c1 ZINC001140753247 804505715 /nfs/dbraw/zinc/50/57/15/804505715.db2.gz CLPVGOSKVFOIBD-UHFFFAOYSA-N 1 1 297.308 3.340 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2cc(F)c(C#N)c(F)c2)C1 ZINC001140755313 804506083 /nfs/dbraw/zinc/50/60/83/804506083.db2.gz ZWZGTYKEKNHSTM-PHIMTYICSA-N 1 1 264.319 3.314 20 30 CGEDMO CC[C@@H]1CCC[N@H+]1Cc1cc(F)c(C#N)c(F)c1 ZINC001140753394 804506174 /nfs/dbraw/zinc/50/61/74/804506174.db2.gz GLZHQIZYXYBBLO-LLVKDONJSA-N 1 1 250.292 3.211 20 30 CGEDMO N#C[C@@H]1CCCN([C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC001256920406 807010898 /nfs/dbraw/zinc/01/08/98/807010898.db2.gz KXEADZQCLNEFEU-WBVHZDCISA-N 1 1 275.440 3.019 20 30 CGEDMO CCCCN(CC#N)[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256922164 807014308 /nfs/dbraw/zinc/01/43/08/807014308.db2.gz IEOSAIQSJJZCSR-MRXNPFEDSA-N 1 1 263.429 3.019 20 30 CGEDMO CC1(C)C[N@H+](C2CCC(C#N)(c3ccccc3)CC2)CCN1 ZINC001246816196 804532697 /nfs/dbraw/zinc/53/26/97/804532697.db2.gz HROSEZMPTXTHRU-UHFFFAOYSA-N 1 1 297.446 3.074 20 30 CGEDMO CC1(C)CN(C2CCC(C#N)(c3ccccc3)CC2)CC[NH2+]1 ZINC001246816196 804532699 /nfs/dbraw/zinc/53/26/99/804532699.db2.gz HROSEZMPTXTHRU-UHFFFAOYSA-N 1 1 297.446 3.074 20 30 CGEDMO COc1ccc(C[N@@H+](C)C2CCC(C#N)CC2)c(OC)c1 ZINC001256969423 807021263 /nfs/dbraw/zinc/02/12/63/807021263.db2.gz HZAZHWYICAMEFD-UHFFFAOYSA-N 1 1 288.391 3.218 20 30 CGEDMO CCCCCCC[C@H](CC)N1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246863561 804567860 /nfs/dbraw/zinc/56/78/60/804567860.db2.gz YOLOLODQTCTLGD-TVXGVJEUSA-N 1 1 282.472 3.031 20 30 CGEDMO C[C@H]1CCCC[N@@H+](Cc2sc(N)c(C#N)c2Cl)C1 ZINC001141107064 804590792 /nfs/dbraw/zinc/59/07/92/804590792.db2.gz OJZXZLJZXDURHD-VIFPVBQESA-N 1 1 283.828 3.477 20 30 CGEDMO CC[C@H]1CCC[N@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141112199 804591477 /nfs/dbraw/zinc/59/14/77/804591477.db2.gz SKTBDSMVFXYGQX-QMMMGPOBSA-N 1 1 269.801 3.230 20 30 CGEDMO C[N@@H+](CCC1CC1)Cc1sc(N)c(C#N)c1Cl ZINC001141112583 804591530 /nfs/dbraw/zinc/59/15/30/804591530.db2.gz FKOCTHFKHVKBMH-UHFFFAOYSA-N 1 1 269.801 3.087 20 30 CGEDMO CC(C)[C@@H]1CCC[N@H+]1Cc1sc(N)c(C#N)c1Cl ZINC001141112847 804592202 /nfs/dbraw/zinc/59/22/02/804592202.db2.gz OTFRUFQJAHUDKP-JTQLQIEISA-N 1 1 283.828 3.476 20 30 CGEDMO C[N@H+](Cc1sc(N)c(C#N)c1Cl)CC1CCC1 ZINC001141112002 804592222 /nfs/dbraw/zinc/59/22/22/804592222.db2.gz LKSIDPUGBXNDID-UHFFFAOYSA-N 1 1 269.801 3.087 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001141163689 804601695 /nfs/dbraw/zinc/60/16/95/804601695.db2.gz OXFSZHSXIZXBKM-OLZOCXBDSA-N 1 1 258.340 3.319 20 30 CGEDMO CCCCCCCC[C@@H](CC)[N@@H+]1C[C@@H]2CN[C@@H]2C1 ZINC001246934099 804607618 /nfs/dbraw/zinc/60/76/18/804607618.db2.gz RYQWXPWEKQKMOZ-ARFHVFGLSA-N 1 1 252.446 3.419 20 30 CGEDMO CCCCCCCC[C@@H](CC)[N@H+]1C[C@@H]2CN[C@@H]2C1 ZINC001246934099 804607621 /nfs/dbraw/zinc/60/76/21/804607621.db2.gz RYQWXPWEKQKMOZ-ARFHVFGLSA-N 1 1 252.446 3.419 20 30 CGEDMO CCCCCCCCNC(=S)N[C@@H]1CCC[N@@H+](C)CC1 ZINC001247172089 804673642 /nfs/dbraw/zinc/67/36/42/804673642.db2.gz UWARADCZHWXJMZ-OAHLLOKOSA-N 1 1 299.528 3.295 20 30 CGEDMO CC(C)C[N@@H+](C)Cc1cc(Br)ccc1C#N ZINC001141894129 804678187 /nfs/dbraw/zinc/67/81/87/804678187.db2.gz FUBVIBNDHMVOLQ-UHFFFAOYSA-N 1 1 281.197 3.409 20 30 CGEDMO COCC[N@@H+](C)Cc1ccc(C#Cc2ccccc2)s1 ZINC001141972105 804683223 /nfs/dbraw/zinc/68/32/23/804683223.db2.gz BXFVUQWQRDZDOW-UHFFFAOYSA-N 1 1 285.412 3.226 20 30 CGEDMO C#CC[C@H]([NH3+])c1nc(-c2cc(C)ccc2C(F)(F)F)no1 ZINC001247609957 804780324 /nfs/dbraw/zinc/78/03/24/804780324.db2.gz RFAZNOOZAAVDHZ-NSHDSACASA-N 1 1 295.264 3.087 20 30 CGEDMO C[N@H+]1CCC[C@@H](CCNc2ccc(OCCC#N)cc2)C1 ZINC001165289960 806987190 /nfs/dbraw/zinc/98/71/90/806987190.db2.gz MZUQWSPEHPHNDK-HNNXBMFYSA-N 1 1 287.407 3.123 20 30 CGEDMO COC[C@H]1CCCC[N@H+]1Cc1c[nH]c2cc(C#N)ccc12 ZINC001142912000 804782980 /nfs/dbraw/zinc/78/29/80/804782980.db2.gz RDCFPQYRWNAITO-OAHLLOKOSA-N 1 1 283.375 3.040 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cc(C)cc(OC)c2)no1 ZINC001247622566 804783059 /nfs/dbraw/zinc/78/30/59/804783059.db2.gz NPNQBVLSKXVWLW-CYBMUJFWSA-N 1 1 273.336 3.020 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2ccc(C)cc2F)no1 ZINC001247622738 804783586 /nfs/dbraw/zinc/78/35/86/804783586.db2.gz NSKNGTCFWLOIOQ-GFCCVEGCSA-N 1 1 261.300 3.150 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2cc(F)cc(Cl)c2)no1 ZINC001247622222 804783648 /nfs/dbraw/zinc/78/36/48/804783648.db2.gz IVMYEIUSKMOVTD-LLVKDONJSA-N 1 1 281.718 3.495 20 30 CGEDMO C[C@]1(CO)CCC[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)CC1 ZINC001142911957 804783841 /nfs/dbraw/zinc/78/38/41/804783841.db2.gz PRUPKOYXYVDDSG-SFHVURJKSA-N 1 1 297.402 3.024 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2cnccc2C(F)(F)F)no1 ZINC001247622998 804784890 /nfs/dbraw/zinc/78/48/90/804784890.db2.gz UMFVDKKPGDPAAC-JTQLQIEISA-N 1 1 298.268 3.116 20 30 CGEDMO C[C@H](Cc1ccccc1Br)[N@H+](C)CCC#N ZINC001256837438 806990150 /nfs/dbraw/zinc/99/01/50/806990150.db2.gz DHMDATDNZKZEQC-LLVKDONJSA-N 1 1 281.197 3.226 20 30 CGEDMO C[C@H](Cc1ccccc1Br)[N@@H+](C)CCC#N ZINC001256837438 806990154 /nfs/dbraw/zinc/99/01/54/806990154.db2.gz DHMDATDNZKZEQC-LLVKDONJSA-N 1 1 281.197 3.226 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](c3cccnc3)C2)c1F ZINC001143173201 804813963 /nfs/dbraw/zinc/81/39/63/804813963.db2.gz RGHBNWSKYGZMRW-CQSZACIVSA-N 1 1 299.324 3.221 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](c3cccnc3)C2)c1F ZINC001143173201 804813970 /nfs/dbraw/zinc/81/39/70/804813970.db2.gz RGHBNWSKYGZMRW-CQSZACIVSA-N 1 1 299.324 3.221 20 30 CGEDMO Cc1cc(-c2noc([C@@H]3CCCC[N@H+]3C)n2)ccc1C#N ZINC001247750923 804815844 /nfs/dbraw/zinc/81/58/44/804815844.db2.gz IETNKBBCVHEBFS-AWEZNQCLSA-N 1 1 282.347 3.074 20 30 CGEDMO Cc1cc(-c2noc([C@@H]3CCCC[N@@H+]3C)n2)ccc1C#N ZINC001247750923 804815847 /nfs/dbraw/zinc/81/58/47/804815847.db2.gz IETNKBBCVHEBFS-AWEZNQCLSA-N 1 1 282.347 3.074 20 30 CGEDMO C[C@@H]1CC[N@H+](Cc2c(Cl)cccc2C#N)CC[C@@]1(C)O ZINC001143716263 804886872 /nfs/dbraw/zinc/88/68/72/804886872.db2.gz JMPAHSGTGKMUEV-MLGOLLRUSA-N 1 1 292.810 3.195 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2C#N)CC[C@@]1(C)O ZINC001143716263 804886882 /nfs/dbraw/zinc/88/68/82/804886882.db2.gz JMPAHSGTGKMUEV-MLGOLLRUSA-N 1 1 292.810 3.195 20 30 CGEDMO C[C@@H]1CC[N@H+](Cc2c(Cl)cccc2C#N)CC[C@]1(C)O ZINC001143716264 804887210 /nfs/dbraw/zinc/88/72/10/804887210.db2.gz JMPAHSGTGKMUEV-WBMJQRKESA-N 1 1 292.810 3.195 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2C#N)CC[C@]1(C)O ZINC001143716264 804887218 /nfs/dbraw/zinc/88/72/18/804887218.db2.gz JMPAHSGTGKMUEV-WBMJQRKESA-N 1 1 292.810 3.195 20 30 CGEDMO C=CC1(CC(=O)NCC[N@H+](C)[C@H](C)CC)CCCCC1 ZINC001143742436 804891566 /nfs/dbraw/zinc/89/15/66/804891566.db2.gz YZDMULAAYATDTR-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO CC[N@H+](Cc1cccc(F)c1)Cc1cncc(C#N)c1 ZINC001144083716 804935339 /nfs/dbraw/zinc/93/53/39/804935339.db2.gz QEAOVKAYGKZJQJ-UHFFFAOYSA-N 1 1 269.323 3.114 20 30 CGEDMO CC[N@@H+](Cc1cccc(F)c1)Cc1cncc(C#N)c1 ZINC001144083716 804935342 /nfs/dbraw/zinc/93/53/42/804935342.db2.gz QEAOVKAYGKZJQJ-UHFFFAOYSA-N 1 1 269.323 3.114 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCSc3ccccc3C2)nc1 ZINC001144166576 804947080 /nfs/dbraw/zinc/94/70/80/804947080.db2.gz LOICXWUSNUGBNP-UHFFFAOYSA-N 1 1 281.384 3.061 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCSc3ccccc3C2)nc1 ZINC001144166576 804947081 /nfs/dbraw/zinc/94/70/81/804947081.db2.gz LOICXWUSNUGBNP-UHFFFAOYSA-N 1 1 281.384 3.061 20 30 CGEDMO CCc1cccc(C[N@H+]2CC[C@@H]3SC(=O)C=C3C2)c1 ZINC001144318654 804973562 /nfs/dbraw/zinc/97/35/62/804973562.db2.gz HMTABJXXSGKEHE-HNNXBMFYSA-N 1 1 273.401 3.023 20 30 CGEDMO CCc1cccc(C[N@@H+]2CCC3SC(=O)C=C3C2)c1 ZINC001144318654 804973564 /nfs/dbraw/zinc/97/35/64/804973564.db2.gz HMTABJXXSGKEHE-HNNXBMFYSA-N 1 1 273.401 3.023 20 30 CGEDMO CCc1cccc(C[N@H+]2CCC3SC(=O)C=C3C2)c1 ZINC001144318654 804973566 /nfs/dbraw/zinc/97/35/66/804973566.db2.gz HMTABJXXSGKEHE-HNNXBMFYSA-N 1 1 273.401 3.023 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@@H+]1CCc2cnccc2C1 ZINC001248748511 804982257 /nfs/dbraw/zinc/98/22/57/804982257.db2.gz LYRKHGCOXXWTKA-UHFFFAOYSA-N 1 1 277.371 3.074 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCc2cnccc2C1 ZINC001248748511 804982263 /nfs/dbraw/zinc/98/22/63/804982263.db2.gz LYRKHGCOXXWTKA-UHFFFAOYSA-N 1 1 277.371 3.074 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](CF)C1 ZINC001248751847 804983574 /nfs/dbraw/zinc/98/35/74/804983574.db2.gz MNMLGSPTZCCDKT-AWEZNQCLSA-N 1 1 260.356 3.302 20 30 CGEDMO CCc1cc(C#N)ccc1CN1CCC([N@H+](C)CC)CC1 ZINC001248753082 804983663 /nfs/dbraw/zinc/98/36/63/804983663.db2.gz QKJHHRPMGMYAPC-UHFFFAOYSA-N 1 1 285.435 3.037 20 30 CGEDMO N#Cc1ccn2ncc(C[N@H+]3CC[C@H]4CCCC[C@H]4C3)c2c1 ZINC001249106870 805091929 /nfs/dbraw/zinc/09/19/29/805091929.db2.gz NOTHCCWIZWDOTR-CVEARBPZSA-N 1 1 294.402 3.218 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)c3ccccc3)C2)C1 ZINC001146920043 805098159 /nfs/dbraw/zinc/09/81/59/805098159.db2.gz OMYPEDMSCXIEGD-INIZCTEOSA-N 1 1 298.430 3.189 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC2(CN(C(=O)/C(C)=C/CC)C2)C1 ZINC001147106290 805109443 /nfs/dbraw/zinc/10/94/43/805109443.db2.gz OFWQUMOCTVFNBF-WPBGYSLVSA-N 1 1 290.451 3.232 20 30 CGEDMO CCCCCCC[N@H+]1CCC2(CN(C(=O)CCCF)C2)C1 ZINC001148079034 805162290 /nfs/dbraw/zinc/16/22/90/805162290.db2.gz COXCJQAUZZCZAI-UHFFFAOYSA-N 1 1 298.446 3.241 20 30 CGEDMO C=C(C)C[N@@H+]1CCC2(CN(C(=O)C3(CCCC)CC3)C2)C1 ZINC001148221125 805169725 /nfs/dbraw/zinc/16/97/25/805169725.db2.gz RVJNCQHNECCMRD-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC1(C(=O)N2CC3(C2)CC[N@H+](CCCC)C3)CCC1 ZINC001148248795 805171213 /nfs/dbraw/zinc/17/12/13/805171213.db2.gz FYFVSCYTVQNIQJ-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)CC(CC)CC)C2)C1 ZINC001148493292 805189366 /nfs/dbraw/zinc/18/93/66/805189366.db2.gz UTEUDPRMAMZHPW-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO COC(=O)c1c(Cl)cccc1C[NH+]1CCC(S)CC1 ZINC001249646490 805201029 /nfs/dbraw/zinc/20/10/29/805201029.db2.gz YPZXWAHPVJZZKK-UHFFFAOYSA-N 1 1 299.823 3.021 20 30 CGEDMO C=C(C)C[N@@H+]1CCC2(CN(C(=O)CCCCCC)C2)C1 ZINC001148708728 805205928 /nfs/dbraw/zinc/20/59/28/805205928.db2.gz VYKCCYALRYTWIQ-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CC[N@@H+]1CCC2(CN(C(=O)[C@H](CCC)CC(C)C)C2)C1 ZINC001148869096 805212669 /nfs/dbraw/zinc/21/26/69/805212669.db2.gz YHYAJIPQUQOZMX-MRXNPFEDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(Br)c2nsnc21 ZINC001249718090 805221486 /nfs/dbraw/zinc/22/14/86/805221486.db2.gz RKQXNOROESEYST-UHFFFAOYSA-N 1 1 298.209 3.072 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC=CCC1 ZINC001151830912 805315347 /nfs/dbraw/zinc/31/53/47/805315347.db2.gz PVDCAHJMTRDJCX-CVEARBPZSA-N 1 1 278.440 3.136 20 30 CGEDMO C#CCCCC(=O)NC[C@@H](C)[N@H+](CC)CCCCCC ZINC001153013055 805379560 /nfs/dbraw/zinc/37/95/60/805379560.db2.gz YUTMTAJORHGPNP-MRXNPFEDSA-N 1 1 280.456 3.197 20 30 CGEDMO CCC/C=C\CC[N@@H+](CC)[C@H](C)CNC(=O)C#CC(C)C ZINC001153207604 805387627 /nfs/dbraw/zinc/38/76/27/805387627.db2.gz LXZAOYDAUUNDDM-DOOKAGJSSA-N 1 1 292.467 3.219 20 30 CGEDMO N#Cc1cccc(Cc2c[nH+]cn2Cc2ccccc2)c1 ZINC001250050985 805390626 /nfs/dbraw/zinc/39/06/26/805390626.db2.gz RPYHFHPVSAPJAL-UHFFFAOYSA-N 1 1 273.339 3.394 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)C1C=CC=CC=C1 ZINC001153636395 805409244 /nfs/dbraw/zinc/40/92/44/805409244.db2.gz RWIZBDGXSZCQNK-MRXNPFEDSA-N 1 1 288.435 3.078 20 30 CGEDMO COc1cc(F)c(C)cc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001250109720 805422050 /nfs/dbraw/zinc/42/20/50/805422050.db2.gz QADYQTNRCACFGE-CYBMUJFWSA-N 1 1 276.355 3.268 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)C1CCC1 ZINC001153975021 805422951 /nfs/dbraw/zinc/42/29/51/805422951.db2.gz UHNLISFHEIZYMY-OLZOCXBDSA-N 1 1 286.847 3.002 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)C1CCC1 ZINC001153975021 805422956 /nfs/dbraw/zinc/42/29/56/805422956.db2.gz UHNLISFHEIZYMY-OLZOCXBDSA-N 1 1 286.847 3.002 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C)C(CC)CC ZINC001154087720 805432924 /nfs/dbraw/zinc/43/29/24/805432924.db2.gz OTQUTOBJQVPGNR-CABCVRRESA-N 1 1 282.472 3.461 20 30 CGEDMO Cc1[nH+]c(NCc2nc3ccccc3o2)ccc1CC#N ZINC001154655631 805473355 /nfs/dbraw/zinc/47/33/55/805473355.db2.gz GBSOJWWXCKRFON-UHFFFAOYSA-N 1 1 278.315 3.209 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@@H](C)[N@H+](CC)CC(=C)Cl ZINC001154750838 805482978 /nfs/dbraw/zinc/48/29/78/805482978.db2.gz CIULILWTQLCOQB-KGLIPLIRSA-N 1 1 286.847 3.168 20 30 CGEDMO C=C[C@@H](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)CC(=C)Cl ZINC001154750838 805482981 /nfs/dbraw/zinc/48/29/81/805482981.db2.gz CIULILWTQLCOQB-KGLIPLIRSA-N 1 1 286.847 3.168 20 30 CGEDMO COc1c(C)ccc(F)c1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001250243396 805516620 /nfs/dbraw/zinc/51/66/20/805516620.db2.gz PUGGWFUEPJKZMG-ZDUSSCGKSA-N 1 1 276.355 3.268 20 30 CGEDMO COc1c(C)ccc(F)c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001250243396 805516626 /nfs/dbraw/zinc/51/66/26/805516626.db2.gz PUGGWFUEPJKZMG-ZDUSSCGKSA-N 1 1 276.355 3.268 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)C(C)(C)CCC ZINC001154981022 805516569 /nfs/dbraw/zinc/51/65/69/805516569.db2.gz VEWWEAPNTRBWST-CQSZACIVSA-N 1 1 268.445 3.215 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H](C)[N@@H+](CC)CCC1CC1 ZINC001155072394 805535641 /nfs/dbraw/zinc/53/56/41/805535641.db2.gz BIVIYYZOVUPCJZ-PBHICJAKSA-N 1 1 280.456 3.215 20 30 CGEDMO CCOc1cc(C[NH+]2CCC(S)CC2)c(Cl)cn1 ZINC001250318200 805563488 /nfs/dbraw/zinc/56/34/88/805563488.db2.gz AJVFAQQUGRBBJI-UHFFFAOYSA-N 1 1 286.828 3.028 20 30 CGEDMO CCOC(=O)[C@]1(C)CCCC[N@H+](C2CCC(C#N)CC2)C1 ZINC001256963342 807017682 /nfs/dbraw/zinc/01/76/82/807017682.db2.gz GCFYBRSMCANTSX-VMBOVVBDSA-N 1 1 292.423 3.124 20 30 CGEDMO CC(C)(C)OC(=O)[C@H]1CCCC[N@H+]1C1CCC(C#N)CC1 ZINC001256969840 807020266 /nfs/dbraw/zinc/02/02/66/807020266.db2.gz QDIFSQADPOEQAZ-YMAMQOFZSA-N 1 1 292.423 3.265 20 30 CGEDMO C[C@]1(O)CC[N@H+](C2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC001257016753 807027518 /nfs/dbraw/zinc/02/75/18/807027518.db2.gz IFBVWKGGFGIVIW-ABHNRTSZSA-N 1 1 284.403 3.041 20 30 CGEDMO C=CCOC[C@@H]1CCC[C@@]12C[N@@H+](C(CC)CC)CCO2 ZINC001257298300 807092650 /nfs/dbraw/zinc/09/26/50/807092650.db2.gz JBHMLMSGQWNCEI-DOTOQJQBSA-N 1 1 281.440 3.249 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+]([C@@H](C)CCC)CC2 ZINC001257322144 807107944 /nfs/dbraw/zinc/10/79/44/807107944.db2.gz QJJCLXLOROIUEY-RDJZCZTQSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CCOC[C@@]12CCCO[C@@H]1CC[N@H+](C1CCCC1)C2 ZINC001257349897 807117101 /nfs/dbraw/zinc/11/71/01/807117101.db2.gz FIMWOCZYLIOHSD-SJORKVTESA-N 1 1 279.424 3.003 20 30 CGEDMO C#C[C@H]1CCCN(c2[nH+]cnc3c2ccn3C2CCCC2)C1 ZINC001167004749 807126199 /nfs/dbraw/zinc/12/61/99/807126199.db2.gz BVGDUGPLMPJOJU-AWEZNQCLSA-N 1 1 294.402 3.396 20 30 CGEDMO CCCCOC(=O)CC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001257401153 807138072 /nfs/dbraw/zinc/13/80/72/807138072.db2.gz YGAQGILVSLOJPB-FPCVCCKLSA-N 1 1 292.423 3.265 20 30 CGEDMO C=C(C)CC[N@H+]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC001167589641 807210538 /nfs/dbraw/zinc/21/05/38/807210538.db2.gz GPLGFJQYGJYYJV-UHFFFAOYSA-N 1 1 282.428 3.284 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCCC[C@@](O)(CF)C3)C[C@H](C1)C2 ZINC001257892404 807242075 /nfs/dbraw/zinc/24/20/75/807242075.db2.gz YCZSVSCYGYRYER-FCLJQHQZSA-N 1 1 281.415 3.308 20 30 CGEDMO C=C1C[C@@H]2CC([N@H+]3CCc4oc(C)nc4C3)C[C@H](C1)C2 ZINC001257894471 807243742 /nfs/dbraw/zinc/24/37/42/807243742.db2.gz WJPJMEHMLITURW-YIONKMFJSA-N 1 1 272.392 3.476 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCCNc1nc(C#N)ccc1Cl ZINC001167754009 807243887 /nfs/dbraw/zinc/24/38/87/807243887.db2.gz OLSFDZFVSNQKEB-GFCCVEGCSA-N 1 1 292.814 3.283 20 30 CGEDMO Cc1cc2cc[nH+]c(N[C@H]3CC[C@H](C#N)CC3)c2[nH]1 ZINC001167840549 807260114 /nfs/dbraw/zinc/26/01/14/807260114.db2.gz CCCYYBWPNNGBSQ-AULYBMBSSA-N 1 1 254.337 3.366 20 30 CGEDMO CCCCCCCC[N@@H+](CCN)[C@@H]1C[C@H]2C[C@H]2C1 ZINC001167910363 807272945 /nfs/dbraw/zinc/27/29/45/807272945.db2.gz SPCOANGJHRUJGL-MUJYYYPQSA-N 1 1 252.446 3.406 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CC[C@@](F)(C(=O)OC)C1 ZINC001258044281 807273866 /nfs/dbraw/zinc/27/38/66/807273866.db2.gz KVGNEXICAZPBHV-ZFWWWQNUSA-N 1 1 273.392 3.322 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1C[C@H](F)C[C@@H](CO)C1 ZINC001258043599 807274294 /nfs/dbraw/zinc/27/42/94/807274294.db2.gz DYZDINFVZBJOQG-RRFJBIMHSA-N 1 1 259.409 3.388 20 30 CGEDMO CCCCCCC[C@H](C)[N@@H+]1CCn2c(C)nnc2C1 ZINC001258049617 807274975 /nfs/dbraw/zinc/27/49/75/807274975.db2.gz LZLRSBRGAQVIFV-ZDUSSCGKSA-N 1 1 264.417 3.151 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CCn2c(C)nnc2C1 ZINC001258049617 807274982 /nfs/dbraw/zinc/27/49/82/807274982.db2.gz LZLRSBRGAQVIFV-ZDUSSCGKSA-N 1 1 264.417 3.151 20 30 CGEDMO CCCCCCC[C@H](C)[N@H+]1CCCC[C@@H]1C(N)=O ZINC001258047082 807275668 /nfs/dbraw/zinc/27/56/68/807275668.db2.gz GTNGLKOWWLUPOA-UONOGXRCSA-N 1 1 254.418 3.075 20 30 CGEDMO C#Cc1cccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)c1 ZINC001167968326 807287719 /nfs/dbraw/zinc/28/77/19/807287719.db2.gz PGYNBYSFGKREPP-IHWFROFDSA-N 1 1 294.442 3.163 20 30 CGEDMO C#Cc1cccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c1 ZINC001167968326 807287723 /nfs/dbraw/zinc/28/77/23/807287723.db2.gz PGYNBYSFGKREPP-IHWFROFDSA-N 1 1 294.442 3.163 20 30 CGEDMO C[C@H]1CC([NH2+]CCCC#N)C[C@H](C)N1Cc1ccccc1 ZINC001168021537 807301549 /nfs/dbraw/zinc/30/15/49/807301549.db2.gz PUNWMOXNXCGFKC-HOTGVXAUSA-N 1 1 285.435 3.321 20 30 CGEDMO C=CCOC(=O)N[C@H]1CCC[N@H+]([C@@H](C)CCC=C(C)C)C1 ZINC001258098690 807308115 /nfs/dbraw/zinc/30/81/15/807308115.db2.gz ZRZXDIXLLTUDNY-HOTGVXAUSA-N 1 1 294.439 3.498 20 30 CGEDMO CCCCCCCCC[C@H](C)[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC001258229228 807376543 /nfs/dbraw/zinc/37/65/43/807376543.db2.gz OJVJJTNDABJWIO-ULQDDVLXSA-N 1 1 285.472 3.191 20 30 CGEDMO CSC(C)(C)C[C@H](C)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001258337580 807417753 /nfs/dbraw/zinc/41/77/53/807417753.db2.gz NMNCCFLXHDTMBX-JQWIXIFHSA-N 1 1 285.478 3.181 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC001258562446 807492709 /nfs/dbraw/zinc/49/27/09/807492709.db2.gz JBTBFEYYMPHKNI-CYBMUJFWSA-N 1 1 282.428 3.282 20 30 CGEDMO CC1(C)CC[C@@H]([N@H+]2CCCN(c3ccc(C#N)cn3)CC2)C1 ZINC001258605201 807502568 /nfs/dbraw/zinc/50/25/68/807502568.db2.gz QTIRGRMXRJNTEY-MRXNPFEDSA-N 1 1 298.434 3.044 20 30 CGEDMO CCC[N@H+](CCC#N)[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168864158 807533419 /nfs/dbraw/zinc/53/34/19/807533419.db2.gz MLIVIBVANOQNEQ-ZIAGYGMSSA-N 1 1 295.427 3.010 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168864158 807533424 /nfs/dbraw/zinc/53/34/24/807533424.db2.gz MLIVIBVANOQNEQ-ZIAGYGMSSA-N 1 1 295.427 3.010 20 30 CGEDMO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]Cc1cc(C#N)ccn1 ZINC001168969194 807543780 /nfs/dbraw/zinc/54/37/80/807543780.db2.gz UQSNIQNRNVVXED-GFCCVEGCSA-N 1 1 297.406 3.064 20 30 CGEDMO C[C@@H]1C[C@@H]([N@H+]2CCC3SC(=O)C=C3C2)CC(C)(C)C1 ZINC001258697854 807551431 /nfs/dbraw/zinc/55/14/31/807551431.db2.gz SPADDAXGQCIBDH-BNOWGMLFSA-N 1 1 279.449 3.475 20 30 CGEDMO C=C(CC(C)C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC001169051472 807559958 /nfs/dbraw/zinc/55/99/58/807559958.db2.gz ZZGRQAQLZBDIIH-ROUUACIJSA-N 1 1 298.430 3.074 20 30 CGEDMO CCCCCCC[C@H](CC(C)C)[N@H+]1C[C@H](O)[C@H](CO)C1 ZINC001258714188 807565590 /nfs/dbraw/zinc/56/55/90/807565590.db2.gz KKSWIGWAKPWCMW-BBWFWOEESA-N 1 1 285.472 3.047 20 30 CGEDMO C=CCC[C@H](C)[NH2+][C@@H](CC1CCC1)C(=O)OCC ZINC001258723327 807571322 /nfs/dbraw/zinc/57/13/22/807571322.db2.gz YVHFTQCBTCXTHB-JSGCOSHPSA-N 1 1 253.386 3.053 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001258727511 807574486 /nfs/dbraw/zinc/57/44/86/807574486.db2.gz HYVUZUCITUYOQE-BPQIPLTHSA-N 1 1 285.435 3.085 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC001258731724 807577752 /nfs/dbraw/zinc/57/77/52/807577752.db2.gz CPVPJBRDBHZNRN-ZIAGYGMSSA-N 1 1 282.428 3.282 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001258733357 807579263 /nfs/dbraw/zinc/57/92/63/807579263.db2.gz ZUFCLQKASFBRAC-RDBSUJKOSA-N 1 1 282.428 3.186 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](Oc2ncccc2C)C1 ZINC001258736145 807582647 /nfs/dbraw/zinc/58/26/47/807582647.db2.gz MDRKUTFUYLXSTN-CABCVRRESA-N 1 1 260.381 3.198 20 30 CGEDMO CCCCCCC[N@@H+](CC)[C@H]1CC[C@H](C(=O)OCC)OC1 ZINC001169394621 807638178 /nfs/dbraw/zinc/63/81/78/807638178.db2.gz YHXAFDBPTBOOEX-JKSUJKDBSA-N 1 1 299.455 3.389 20 30 CGEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@H+]([C@H]1CCC[C@H](C)C1)C2 ZINC001258823685 807638764 /nfs/dbraw/zinc/63/87/64/807638764.db2.gz NNZVMVRSEKVDFR-XLAORIBOSA-N 1 1 293.451 3.391 20 30 CGEDMO C#C[C@@](C)(CC)Nc1ccc([C@@H]2CCCC[N@H+]2C)cn1 ZINC001169697971 807690640 /nfs/dbraw/zinc/69/06/40/807690640.db2.gz PHDNGASYAIVMAD-RDJZCZTQSA-N 1 1 271.408 3.452 20 30 CGEDMO C=CCCCC[N@H+](C)[C@@H]1CCCN(C(=O)OCC)CC1 ZINC001169705648 807694131 /nfs/dbraw/zinc/69/41/31/807694131.db2.gz IVGWGMCUHRSARJ-OAHLLOKOSA-N 1 1 282.428 3.286 20 30 CGEDMO CC(C)CCC[C@@H](C)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001170079173 807748835 /nfs/dbraw/zinc/74/88/35/807748835.db2.gz YAGASDWVSQUQTG-TZMCWYRMSA-N 1 1 267.438 3.475 20 30 CGEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCC[C@@H](CO)C2)CC1 ZINC001170377322 807831784 /nfs/dbraw/zinc/83/17/84/807831784.db2.gz ZXXFUALXEFZFHR-IPJUCJBFSA-N 1 1 298.430 3.095 20 30 CGEDMO C(#Cc1ccccc1)CNc1[nH+]cccc1C1CCOCC1 ZINC001170427670 807840253 /nfs/dbraw/zinc/84/02/53/807840253.db2.gz WVKYYQSUGIHFEW-UHFFFAOYSA-N 1 1 292.382 3.439 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@@H](CC)Cc2ccc3c(c2)OCO3)C1 ZINC001170450175 807846394 /nfs/dbraw/zinc/84/63/94/807846394.db2.gz RWESWVKWAWOJJF-HOCLYGCPSA-N 1 1 285.387 3.082 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170702883 807878158 /nfs/dbraw/zinc/87/81/58/807878158.db2.gz UYEBHZZUURSYDD-CQSZACIVSA-N 1 1 278.346 3.448 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+]([C@@H]2CCc3cc(F)cc(F)c3C2)C1 ZINC001170701615 807878691 /nfs/dbraw/zinc/87/86/91/807878691.db2.gz QWXACDJGJMXXAB-SWLSCSKDSA-N 1 1 290.357 3.448 20 30 CGEDMO CCCCCCCC[N@@H+](CCN)[C@@H]1CCCOCC1 ZINC001170792592 807907916 /nfs/dbraw/zinc/90/79/16/807907916.db2.gz PENMHTGJJNDJCD-MRXNPFEDSA-N 1 1 270.461 3.177 20 30 CGEDMO C=CCC[C@@H]1CCCN1C(=O)NCCCC[N@H+](C)C1CC1 ZINC001263110663 807934337 /nfs/dbraw/zinc/93/43/37/807934337.db2.gz DEMXNEPLVKWGDI-MRXNPFEDSA-N 1 1 293.455 3.001 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+]([C@H]2CCc3cc(Cl)ccc3C2)C1 ZINC001171133100 807994062 /nfs/dbraw/zinc/99/40/62/807994062.db2.gz JNLUZJFAUVLNIE-HOTGVXAUSA-N 1 1 274.795 3.433 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CCCC[C@H](F)C1 ZINC001171203722 808008886 /nfs/dbraw/zinc/00/88/86/808008886.db2.gz PGYAFILBEHMSNY-BBRMVZONSA-N 1 1 260.356 3.313 20 30 CGEDMO COC[C@@]12CCC[C@@H]1C[N@H+]([C@@H](C)Cc1cccc(C#N)c1)C2 ZINC001171218728 808010609 /nfs/dbraw/zinc/01/06/09/808010609.db2.gz WJSRWTXMZKJNBX-IPELMVKDSA-N 1 1 298.430 3.238 20 30 CGEDMO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1CC[C@@H](COCC2CC2)C1 ZINC001171230325 808013960 /nfs/dbraw/zinc/01/39/60/808013960.db2.gz UUQVCZPEXNPRLK-HNAYVOBHSA-N 1 1 298.430 3.238 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](CCC2CC2)[C@@H]1CC ZINC001264061113 808032699 /nfs/dbraw/zinc/03/26/99/808032699.db2.gz YTODPZUUSSTBQE-JKSUJKDBSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)CC2CCCC2)[C@H]1C ZINC001264128730 808039247 /nfs/dbraw/zinc/03/92/47/808039247.db2.gz DDGUWOYPBPNQHE-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C23CCC(CC2)C3)[C@H]1C ZINC001264149277 808040217 /nfs/dbraw/zinc/04/02/17/808040217.db2.gz YVQOJCATAMVCMB-CTMQZQKCSA-N 1 1 290.451 3.112 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+]([C@H]2CCc3c(F)cc(F)cc3C2)C1 ZINC001171380923 808040861 /nfs/dbraw/zinc/04/08/61/808040861.db2.gz POTOUJBEJXDEIY-WFASDCNBSA-N 1 1 290.357 3.448 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)CCCC1CC1 ZINC001264184236 808044506 /nfs/dbraw/zinc/04/45/06/808044506.db2.gz KTOBAVRAZKXACH-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CC1(C)CC1 ZINC001264367110 808061446 /nfs/dbraw/zinc/06/14/46/808061446.db2.gz RPBRDBHGAHUWMU-LSDHHAIUSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)/C(C)=C/C)C1 ZINC001264591054 808080067 /nfs/dbraw/zinc/08/00/67/808080067.db2.gz KXWJIQYPESRSBT-IYBFVCPDSA-N 1 1 298.430 3.113 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CCC2CCCC2)[C@H]1C ZINC001264687265 808085753 /nfs/dbraw/zinc/08/57/53/808085753.db2.gz NJXPVGQLOVYILB-HIFRSBDPSA-N 1 1 298.858 3.288 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CCC2CCCC2)[C@H]1C ZINC001264687265 808085759 /nfs/dbraw/zinc/08/57/59/808085759.db2.gz NJXPVGQLOVYILB-HIFRSBDPSA-N 1 1 298.858 3.288 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C2CCC=CCC2)[C@H]1C ZINC001264731303 808087303 /nfs/dbraw/zinc/08/73/03/808087303.db2.gz JGZGONGMYROVOO-WBVHZDCISA-N 1 1 290.451 3.278 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@@H+](CC=C(C)C)[C@@H]1C ZINC001264717748 808087939 /nfs/dbraw/zinc/08/79/39/808087939.db2.gz JLJZIIDWGYOJLS-HLLBOEOZSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C1(F)CCCC1 ZINC001264741919 808089131 /nfs/dbraw/zinc/08/91/31/808089131.db2.gz WREHTILEKYDVIN-HNNXBMFYSA-N 1 1 296.430 3.158 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171542489 808090227 /nfs/dbraw/zinc/09/02/27/808090227.db2.gz ROAMHBMKWWZBRO-JTQLQIEISA-N 1 1 255.283 3.079 20 30 CGEDMO C=CCOc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001264784935 808093818 /nfs/dbraw/zinc/09/38/18/808093818.db2.gz OKFPRQVHEADFMC-INIZCTEOSA-N 1 1 288.391 3.063 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC001171572929 808100465 /nfs/dbraw/zinc/10/04/65/808100465.db2.gz NANUEORGWPLTGY-IAQYHMDHSA-N 1 1 298.213 3.372 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001265125088 808111084 /nfs/dbraw/zinc/11/10/84/808111084.db2.gz XEEYGPDMLILPLS-YESZJQIVSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CCC[N@H+](CCCCC)C1 ZINC001265224749 808122868 /nfs/dbraw/zinc/12/28/68/808122868.db2.gz JNKSHZRLDGAIET-DOTOQJQBSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC)cc2)C1 ZINC001265314391 808130800 /nfs/dbraw/zinc/13/08/00/808130800.db2.gz ABFAPFJZKBQPEV-KRWDZBQOSA-N 1 1 286.419 3.019 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C2(CC)CCCCC2)C1 ZINC001265320010 808131456 /nfs/dbraw/zinc/13/14/56/808131456.db2.gz WFFVLKLOYDORNC-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)CC)C1 ZINC001265384276 808137151 /nfs/dbraw/zinc/13/71/51/808137151.db2.gz FQBSPBYAIAUSRV-CVEARBPZSA-N 1 1 280.456 3.169 20 30 CGEDMO C#CCCCCCC[N@@H+]1Cc2ccccc2NC(=O)[C@@H]1C ZINC001171893476 808152943 /nfs/dbraw/zinc/15/29/43/808152943.db2.gz OUWVESGZKGGLNX-HNNXBMFYSA-N 1 1 284.403 3.413 20 30 CGEDMO C#CCCCCCC[N@H+]1Cc2ccccc2NC(=O)[C@@H]1C ZINC001171893476 808152947 /nfs/dbraw/zinc/15/29/47/808152947.db2.gz OUWVESGZKGGLNX-HNNXBMFYSA-N 1 1 284.403 3.413 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)CC2CCC2)C1 ZINC001265580318 808157062 /nfs/dbraw/zinc/15/70/62/808157062.db2.gz VGAQCUZPYZPQGV-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C#CC[N@H+](C)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC001171973611 808163933 /nfs/dbraw/zinc/16/39/33/808163933.db2.gz LJEZXIPJDAATEK-NSHDSACASA-N 1 1 255.283 3.201 20 30 CGEDMO C=CCCCC(=O)NC[C@H]1CCCC[N@@H+]1CCC(=C)C ZINC001265651980 808164936 /nfs/dbraw/zinc/16/49/36/808164936.db2.gz QEHCSAOVTPVUEP-MRXNPFEDSA-N 1 1 278.440 3.280 20 30 CGEDMO C=CCCCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1CC ZINC001265695925 808169135 /nfs/dbraw/zinc/16/91/35/808169135.db2.gz CRZJDBZXFXQUAK-JKSUJKDBSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](CCC(=C)C)C1 ZINC001265705697 808172416 /nfs/dbraw/zinc/17/24/16/808172416.db2.gz MBQAKTSYIJQLGF-HZPDHXFCSA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCCC(=O)NC[C@H](C)[NH2+][C@H](C)c1c(F)cccc1F ZINC001265759523 808178981 /nfs/dbraw/zinc/17/89/81/808178981.db2.gz XEPHSOOLZFBHRZ-NWDGAFQWSA-N 1 1 296.361 3.086 20 30 CGEDMO C=CC[N@H+](C)CCCNC(=O)c1ccc(C(C)C)cc1 ZINC001265958881 808196668 /nfs/dbraw/zinc/19/66/68/808196668.db2.gz FBPIYGLMBSDZEJ-UHFFFAOYSA-N 1 1 274.408 3.048 20 30 CGEDMO N#CC[C@H]1CCC[N@H+]([C@@H]2CSc3ccccc3C2)C1 ZINC001172204346 808197421 /nfs/dbraw/zinc/19/74/21/808197421.db2.gz ZTMBZIIWAMREKO-HIFRSBDPSA-N 1 1 272.417 3.329 20 30 CGEDMO C=CCC[N@H+](C)CCCNC(=O)C[C@@H]1CCCC[C@H]1C ZINC001265984219 808198796 /nfs/dbraw/zinc/19/87/96/808198796.db2.gz OOAHXAODFNPPPT-CVEARBPZSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CC[N@@H+](C)CCCNC(=O)c1ccc(C2=CCCC2)cc1 ZINC001265989379 808199829 /nfs/dbraw/zinc/19/98/29/808199829.db2.gz ZDHQFYUGKLIEHH-UHFFFAOYSA-N 1 1 298.430 3.492 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)C(CCC)CCC)C1 ZINC001266107391 808213180 /nfs/dbraw/zinc/21/31/80/808213180.db2.gz BYWKAZMXZUTPPK-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@H](NC(=O)C2CCC2)C1 ZINC001266197881 808225411 /nfs/dbraw/zinc/22/54/11/808225411.db2.gz QKWJRJFFLHIXEV-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C#CCCCCC(=O)N[C@H]1CCC[N@H+](CCCC(C)C)C1 ZINC001266214042 808228610 /nfs/dbraw/zinc/22/86/10/808228610.db2.gz ALAUZUJMXHYJED-KRWDZBQOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CCC[N@@H+](CC3CCC3)C2)CCC1 ZINC001266237457 808231313 /nfs/dbraw/zinc/23/13/13/808231313.db2.gz WSLINEILJOZLNI-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC001266339019 808244720 /nfs/dbraw/zinc/24/47/20/808244720.db2.gz HVTZKIFTDNLWML-FUHWJXTLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](C[C@@H](C)CC(C)C)C2)C1 ZINC001266343173 808245240 /nfs/dbraw/zinc/24/52/40/808245240.db2.gz ZKOSYVKTZVSTCZ-HOCLYGCPSA-N 1 1 292.467 3.215 20 30 CGEDMO CC#CCCCC(=O)N[C@H]1CC[N@H+](CC/C=C/CCC)C1 ZINC001266336357 808245434 /nfs/dbraw/zinc/24/54/34/808245434.db2.gz ODQFWGLRHUESIH-LKUPDRCFSA-N 1 1 290.451 3.117 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@@H+]1CCC(=O)N(C)CC1 ZINC001172355016 808251748 /nfs/dbraw/zinc/25/17/48/808251748.db2.gz LRWKRIWOZNKJDL-OAHLLOKOSA-N 1 1 268.445 3.290 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)c1cccc(C)c1 ZINC001266375477 808251786 /nfs/dbraw/zinc/25/17/86/808251786.db2.gz PDJYIHBAONBUSS-UHFFFAOYSA-N 1 1 274.408 3.013 20 30 CGEDMO C=CCCC(=O)NCC[N@H+](CC)Cc1cc(C)sc1C ZINC001266381296 808253265 /nfs/dbraw/zinc/25/32/65/808253265.db2.gz WRZUHYGHWMOCMY-UHFFFAOYSA-N 1 1 294.464 3.269 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CCOC[C@@](C)(O)C1 ZINC001172359497 808254053 /nfs/dbraw/zinc/25/40/53/808254053.db2.gz XCTYEFFAASIHTL-HOTGVXAUSA-N 1 1 271.445 3.209 20 30 CGEDMO C=C(C)C[N@H+](CC)CCNC(=O)[C@@]1(C)CCC[C@H]1CC ZINC001266398842 808255988 /nfs/dbraw/zinc/25/59/88/808255988.db2.gz FDPYYJGDSQHYKB-WBVHZDCISA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)C12CCC(CC1)C2(C)C ZINC001266423021 808261466 /nfs/dbraw/zinc/26/14/66/808261466.db2.gz ZDBTXRBGWDXGPR-UHFFFAOYSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H]1CNC(=O)CC1CCCCC1 ZINC001266446141 808265494 /nfs/dbraw/zinc/26/54/94/808265494.db2.gz BKYQVYSSBFPXJJ-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](CCCC)C(C)C)C1 ZINC001266551319 808285939 /nfs/dbraw/zinc/28/59/39/808285939.db2.gz PHRMXEIJJLSLOE-DLBZAZTESA-N 1 1 294.483 3.463 20 30 CGEDMO CC/C=C\CC[N@@H+](CCC)CCNC(=O)C#CC(C)(C)C ZINC001266560275 808286887 /nfs/dbraw/zinc/28/68/87/808286887.db2.gz HEKDWLTYYFXHRN-HJWRWDBZSA-N 1 1 292.467 3.220 20 30 CGEDMO COc1cccc2c1C[N@H+]([C@@H](C)CCCC#N)CC2 ZINC001172491386 808352209 /nfs/dbraw/zinc/35/22/09/808352209.db2.gz DZQPZZFRBSLRRG-ZDUSSCGKSA-N 1 1 258.365 3.136 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)C/C=C(\C)C=C)C1 ZINC001267107922 808360500 /nfs/dbraw/zinc/36/05/00/808360500.db2.gz IVQNYFMGVUHIJR-YTBHAWNYSA-N 1 1 290.451 3.398 20 30 CGEDMO C[C@@H](CCCC#N)[N@@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001172506800 808362495 /nfs/dbraw/zinc/36/24/95/808362495.db2.gz JSINNCNVVGTGTQ-DLBZAZTESA-N 1 1 277.456 3.409 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCCC[C@@H]1CCN1CCCC1 ZINC001172506800 808362503 /nfs/dbraw/zinc/36/25/03/808362503.db2.gz JSINNCNVVGTGTQ-DLBZAZTESA-N 1 1 277.456 3.409 20 30 CGEDMO C[C@H](CCCC#N)n1ccc(C[NH2+]Cc2ccccc2)n1 ZINC001172508985 808365889 /nfs/dbraw/zinc/36/58/89/808365889.db2.gz IOBAPODIDSUQEP-OAHLLOKOSA-N 1 1 282.391 3.428 20 30 CGEDMO C=CC[N@H+]1CCC[C@H]1CCCNC(=O)C[C@@H]1CC=CCC1 ZINC001267171917 808372660 /nfs/dbraw/zinc/37/26/60/808372660.db2.gz QVJCCFFGPKCUDT-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO C#CCCCC(=O)NCC[N@H+](C)CC[C@@H]1CCC[C@H](C)C1 ZINC001267193442 808377352 /nfs/dbraw/zinc/37/73/52/808377352.db2.gz QBSMWGSEPLDNMR-IRXDYDNUSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCC(C)(C)C1 ZINC001267214531 808382981 /nfs/dbraw/zinc/38/29/81/808382981.db2.gz BDYPFVAMRYDRQL-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+](C)CCNC(=O)c1ccc2sccc2c1 ZINC001267224730 808385405 /nfs/dbraw/zinc/38/54/05/808385405.db2.gz KKQXNNOENBIZDT-UHFFFAOYSA-N 1 1 288.416 3.139 20 30 CGEDMO C=CCC1(C(=O)NCC[N@H+](C)CC=C(C)C)CCCC1 ZINC001267232976 808388894 /nfs/dbraw/zinc/38/88/94/808388894.db2.gz GVNPAPUEOHJVCU-UHFFFAOYSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)c1ccccc1 ZINC001267234891 808390067 /nfs/dbraw/zinc/39/00/67/808390067.db2.gz OKGRPXJXSOHMDK-HNNXBMFYSA-N 1 1 274.408 3.093 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)CC1CCCCC1 ZINC001267259497 808399780 /nfs/dbraw/zinc/39/97/80/808399780.db2.gz BUCFNQPXWQEHLD-HNNXBMFYSA-N 1 1 298.858 3.290 20 30 CGEDMO C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)CC1CCCCC1 ZINC001267259497 808399789 /nfs/dbraw/zinc/39/97/89/808399789.db2.gz BUCFNQPXWQEHLD-HNNXBMFYSA-N 1 1 298.858 3.290 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)C(C)C ZINC001267268398 808401225 /nfs/dbraw/zinc/40/12/25/808401225.db2.gz ZPQWCAPLGAEUDN-HNNXBMFYSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)C1(F)CCCCC1 ZINC001267279561 808402565 /nfs/dbraw/zinc/40/25/65/808402565.db2.gz HJDZWGBZPIAPDB-HNNXBMFYSA-N 1 1 296.430 3.206 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)CCCCCC ZINC001267278749 808403277 /nfs/dbraw/zinc/40/32/77/808403277.db2.gz PPUDQSLXYKFUOP-DLBZAZTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CNC(=O)C2(C)CCCCCC2)C1 ZINC001267296327 808407337 /nfs/dbraw/zinc/40/73/37/808407337.db2.gz KZJGWIUKJHWMDN-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](CNC(=O)C(C)(C)CC=C)C1 ZINC001267303814 808408747 /nfs/dbraw/zinc/40/87/47/808408747.db2.gz RWNNZVQFGXYBPE-HOTGVXAUSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)CC[N@@H+](CCC)CCNC(=O)[C@@H](C)C(C)(C)C ZINC001267314741 808411839 /nfs/dbraw/zinc/41/18/39/808411839.db2.gz BTDCUBCXMZOQNJ-OAHLLOKOSA-N 1 1 282.472 3.463 20 30 CGEDMO C=C(C)C[N@H+](CCNC(=O)[C@@]1(C)CCC[C@@H]1CC)C1CC1 ZINC001267328489 808415747 /nfs/dbraw/zinc/41/57/47/808415747.db2.gz XUESYXYKNJTSMD-YJBOKZPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[N@H+](CCCNC(=O)c1coc(C)c1)C(C)C ZINC001267499562 808433826 /nfs/dbraw/zinc/43/38/26/808433826.db2.gz ARQVDOIOHXTKFR-UHFFFAOYSA-N 1 1 298.814 3.171 20 30 CGEDMO C=C(Cl)C[N@H+](CCCNC(=O)C1(CC)CC1)C(C)C ZINC001267506907 808434621 /nfs/dbraw/zinc/43/46/21/808434621.db2.gz DIHJZWDOTZQTOV-UHFFFAOYSA-N 1 1 286.847 3.146 20 30 CGEDMO COC(=O)[C@H]1CCC[C@H]([NH2+]C2(C#N)CCCCCC2)CC1 ZINC001172767686 808435572 /nfs/dbraw/zinc/43/55/72/808435572.db2.gz JYKMOTHELJLELI-GJZGRUSLSA-N 1 1 292.423 3.314 20 30 CGEDMO C=C(Cl)C[NH2+][C@H](CNC(C)=O)c1ccc(C(C)C)cc1 ZINC001267512152 808436502 /nfs/dbraw/zinc/43/65/02/808436502.db2.gz BUPFGMAXSZZQHL-MRXNPFEDSA-N 1 1 294.826 3.329 20 30 CGEDMO COC(=O)[C@H]1CCC[C@H]([N@@H+](CCC#N)C2CCCC2)CC1 ZINC001172791686 808440493 /nfs/dbraw/zinc/44/04/93/808440493.db2.gz MESBIYITYZBJBM-HOCLYGCPSA-N 1 1 292.423 3.267 20 30 CGEDMO C=CCCCCC[NH+]1CC(NC(=O)[C@@H]2CCCC[C@@H]2C)C1 ZINC001267657025 808466299 /nfs/dbraw/zinc/46/62/99/808466299.db2.gz DMAKPIWLWSGSGQ-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001267701948 808472091 /nfs/dbraw/zinc/47/20/91/808472091.db2.gz BIZOYHIHCNBZQT-HOTGVXAUSA-N 1 1 294.483 3.415 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)C2CC2)C1 ZINC001267721083 808477216 /nfs/dbraw/zinc/47/72/16/808477216.db2.gz JEJWWCCQTLLNBV-HOCLYGCPSA-N 1 1 280.456 3.193 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2C)C1 ZINC001267738219 808480480 /nfs/dbraw/zinc/48/04/80/808480480.db2.gz SYFGKSLXPXVPOP-HZPDHXFCSA-N 1 1 286.419 3.213 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2ccc(C)s2)C1 ZINC001267736197 808480787 /nfs/dbraw/zinc/48/07/87/808480787.db2.gz WMZVNAGPEDWPRX-TZMCWYRMSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC(C[N@H+](C)CCC)CC1 ZINC001267752162 808483293 /nfs/dbraw/zinc/48/32/93/808483293.db2.gz GMXIXEONCSLZQS-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H](CCC)C(C)C)C1 ZINC001267750241 808483495 /nfs/dbraw/zinc/48/34/95/808483495.db2.gz WNVBQUASFDYXIE-HZPDHXFCSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)CCCCCC(C)C)C1 ZINC001267774294 808488550 /nfs/dbraw/zinc/48/85/50/808488550.db2.gz VYZYPGXMROVSIP-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC1(C(=O)N(C)[C@@H]2CC[N@H+](C[C@H](C)CC)C2)CCC1 ZINC001267771433 808488634 /nfs/dbraw/zinc/48/86/34/808488634.db2.gz GLCFHQJIEMYESK-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO CO[C@@H]1CCC[C@H]([N@@H+](CCC#N)C2CCCC2)C1 ZINC001172942956 808491929 /nfs/dbraw/zinc/49/19/29/808491929.db2.gz RNDWKNBCOUOMQC-LSDHHAIUSA-N 1 1 250.386 3.102 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)CC2(C)CCCC2)C1 ZINC001267785887 808492285 /nfs/dbraw/zinc/49/22/85/808492285.db2.gz XJTOIILTJSLMNO-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H](C)CCCCCC)C1 ZINC001267791561 808494050 /nfs/dbraw/zinc/49/40/50/808494050.db2.gz VMSLVSDHOIDMAE-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H](C=C)c2ccccc2)C1 ZINC001267794383 808495057 /nfs/dbraw/zinc/49/50/57/808495057.db2.gz NVBRRRXRPBNRDP-ROUUACIJSA-N 1 1 298.430 3.065 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)C[C@H](C)C2CC2)C1 ZINC001267794157 808495313 /nfs/dbraw/zinc/49/53/13/808495313.db2.gz MVGVREBHQOZDAX-RDJZCZTQSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H](NC(=O)/C=C(/C)CC)C1 ZINC001267931510 808516673 /nfs/dbraw/zinc/51/66/73/808516673.db2.gz UNSHWFVNYPTCQS-YNLMUAPZSA-N 1 1 278.440 3.278 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)[C@H]2CCC[C@@H](F)C2)C1 ZINC001268300433 808577775 /nfs/dbraw/zinc/57/77/75/808577775.db2.gz OKXYXAHKTVSFMN-LSDHHAIUSA-N 1 1 298.446 3.286 20 30 CGEDMO C=CCOC1CCC([NH2+]CC(F)(F)c2ccccn2)CC1 ZINC001173317664 808610502 /nfs/dbraw/zinc/61/05/02/808610502.db2.gz HVHQNAIDJBQEEC-UHFFFAOYSA-N 1 1 296.361 3.277 20 30 CGEDMO C=CCOC1CCC([N@@H+](C)Cc2cncs2)CC1 ZINC001173322885 808611374 /nfs/dbraw/zinc/61/13/74/808611374.db2.gz OUKFYPPZBRYWDA-UHFFFAOYSA-N 1 1 266.410 3.089 20 30 CGEDMO C=CCOC1CCC([N@@H+](C)Cc2ccccc2O)CC1 ZINC001173326820 808612330 /nfs/dbraw/zinc/61/23/30/808612330.db2.gz SBCANOWJSOTAJG-UHFFFAOYSA-N 1 1 275.392 3.338 20 30 CGEDMO C=CCOC1CCC([N@H+](C)[C@@H](C)C(=O)OC(C)(C)C)CC1 ZINC001173326898 808612511 /nfs/dbraw/zinc/61/25/11/808612511.db2.gz UKLFEOOBIIXZEF-NFOMZHRRSA-N 1 1 297.439 3.162 20 30 CGEDMO N#CCC1CCC([N@@H+](CCO)Cc2cccs2)CC1 ZINC001173335389 808617361 /nfs/dbraw/zinc/61/73/61/808617361.db2.gz KIYJUAJWIJAHNX-UHFFFAOYSA-N 1 1 278.421 3.015 20 30 CGEDMO N#CCC1CCC([N@H+]2CCC[C@H](Oc3cccnc3)C2)CC1 ZINC001173339094 808619959 /nfs/dbraw/zinc/61/99/59/808619959.db2.gz LOQGXRSUZVQNEN-HTWSVDAQSA-N 1 1 299.418 3.397 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC=CCC2)C1 ZINC001268996705 808641289 /nfs/dbraw/zinc/64/12/89/808641289.db2.gz RZWQDIKHJULDAR-IRXDYDNUSA-N 1 1 290.451 3.280 20 30 CGEDMO CCCCCCCC(=O)N1C[C@@H]2CC[N@H+](C)CC[C@@H]2C1 ZINC001269076384 808645801 /nfs/dbraw/zinc/64/58/01/808645801.db2.gz WKSHOWOCULJPKS-IYBDPMFKSA-N 1 1 280.456 3.147 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)c1ccc(C)s1 ZINC001269189124 808652632 /nfs/dbraw/zinc/65/26/32/808652632.db2.gz OMTYUOLNSOKKKS-TZMCWYRMSA-N 1 1 292.448 3.215 20 30 CGEDMO CCCC[N@@H+](CCC#N)[C@@H]1CC[C@@H](CC(=O)OCC)C1 ZINC001173642993 808658090 /nfs/dbraw/zinc/65/80/90/808658090.db2.gz GBPPCRRMFHAUKP-HUUCEWRRSA-N 1 1 280.412 3.124 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CNC(=O)CCCCC(C)(C)C ZINC001269241836 808660722 /nfs/dbraw/zinc/66/07/22/808660722.db2.gz YDFXXPBECJJZEF-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)CCC2CCCCC2)C1 ZINC001269355815 808673859 /nfs/dbraw/zinc/67/38/59/808673859.db2.gz KMLGJJKSLKUFJG-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@H](C)CC ZINC001269670958 808696055 /nfs/dbraw/zinc/69/60/55/808696055.db2.gz PMWSKPKLFFLDFR-ZACQAIPSSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)CCC(C)C)C2)C1 ZINC001269720596 808701307 /nfs/dbraw/zinc/70/13/07/808701307.db2.gz WFZCTINHTTYYSM-SFHVURJKSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)CC2CCCC2)CC1 ZINC001270200777 808721888 /nfs/dbraw/zinc/72/18/88/808721888.db2.gz NFQGYSIDKLCGSK-UHFFFAOYSA-N 1 1 298.858 3.290 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)C(C)=C1CCCC1 ZINC001271989950 808792538 /nfs/dbraw/zinc/79/25/38/808792538.db2.gz NXHQWZHPFYBDIR-UHFFFAOYSA-N 1 1 278.440 3.233 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)C(C)C ZINC001272045538 808794678 /nfs/dbraw/zinc/79/46/78/808794678.db2.gz VUUUZKUCSORKBE-BRWVUGGUSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C)C(C)C ZINC001272045544 808795296 /nfs/dbraw/zinc/79/52/96/808795296.db2.gz VUUUZKUCSORKBE-IXDOHACOSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)CCC(=O)N1CCC[C@H]2C[N@H+](CC[C@H](C)F)C[C@H]21 ZINC001272078293 808796274 /nfs/dbraw/zinc/79/62/74/808796274.db2.gz CYLKSHHIOWOBDO-HRCADAONSA-N 1 1 296.430 3.014 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N(C)CC[N@@H+](C)CCC(C)(C)C ZINC001272104326 808797921 /nfs/dbraw/zinc/79/79/21/808797921.db2.gz AOUDWOVBVAOSKZ-QGZVFWFLSA-N 1 1 282.472 3.415 20 30 CGEDMO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@H](CC)CCCC ZINC001272431069 808808096 /nfs/dbraw/zinc/80/80/96/808808096.db2.gz SVGCUNDRMHNISG-BRWVUGGUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2C[C@H](C)CCC ZINC001272432098 808809875 /nfs/dbraw/zinc/80/98/75/808809875.db2.gz ZDSKKMHJCPMLGR-AEFFLSMTSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@]2(CCN(CC(=C)C)C2=O)C1 ZINC001272699940 808822007 /nfs/dbraw/zinc/82/20/07/808822007.db2.gz QIHCWPFXWCYYDO-GOSISDBHSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@]2(CCN(C)C2=O)CC1 ZINC001272702643 808822199 /nfs/dbraw/zinc/82/21/99/808822199.db2.gz UAPWODPOGKODHQ-QGZVFWFLSA-N 1 1 278.440 3.067 20 30 CGEDMO C=C(C)C[N@H+]1CCc2c(CNC(=O)C3(C)CC3)cccc2C1 ZINC001272916524 808826720 /nfs/dbraw/zinc/82/67/20/808826720.db2.gz ALYBPUZFILJHOU-UHFFFAOYSA-N 1 1 298.430 3.037 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](CC)CCCC)CC1 ZINC001273394369 808842603 /nfs/dbraw/zinc/84/26/03/808842603.db2.gz YMIDIETWXZVLNJ-SJORKVTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@@]12CCN(C1CCCC1)C2=O ZINC001273494772 808848457 /nfs/dbraw/zinc/84/84/57/808848457.db2.gz FIXTZAQGAWCZSZ-SFHVURJKSA-N 1 1 290.451 3.352 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCCC)C2 ZINC001273823906 808861841 /nfs/dbraw/zinc/86/18/41/808861841.db2.gz DWNFTRMZTKTBKI-GOSISDBHSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H](NC(=O)C2CCCC2)C(C)(C)C1 ZINC001274406242 808874283 /nfs/dbraw/zinc/87/42/83/808874283.db2.gz HSADDKIPLXUCIO-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCC[N@H+]1CCCC2(CN(Cc3ccc[nH]3)C2)C1 ZINC001274974629 808895896 /nfs/dbraw/zinc/89/58/96/808895896.db2.gz NWFOSHJIICJLHO-UHFFFAOYSA-N 1 1 287.451 3.269 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@@H]1CCCN1C(=O)CC ZINC001275081017 808904440 /nfs/dbraw/zinc/90/44/40/808904440.db2.gz OHZSWLQTLQLGCW-HNNXBMFYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)c1sccc1C ZINC001275498003 808942687 /nfs/dbraw/zinc/94/26/87/808942687.db2.gz XRFAGFSOEZAINK-ZDUSSCGKSA-N 1 1 280.437 3.073 20 30 CGEDMO C#CC[N@H+](C)C[C@H](C)NC(=O)[C@@H](CC)CC1CCCCC1 ZINC001275665619 808955893 /nfs/dbraw/zinc/95/58/93/808955893.db2.gz KKFWGJCDRYFJMA-RDJZCZTQSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)c1cccc(F)c1 ZINC001275759141 808963800 /nfs/dbraw/zinc/96/38/00/808963800.db2.gz RHCFLFMXXRBCBY-ZIAGYGMSSA-N 1 1 292.398 3.231 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)CNC(=O)CC1CCCCC1 ZINC001275766170 808963874 /nfs/dbraw/zinc/96/38/74/808963874.db2.gz ZYCBROYHUMAVPD-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO CC#CC[N@@H+](C)[C@H](C)CNC(=O)CCCCC(C)(C)C ZINC001275837065 808969482 /nfs/dbraw/zinc/96/94/82/808969482.db2.gz ZWTOYQLLCRLFND-OAHLLOKOSA-N 1 1 280.456 3.053 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@@]1(C)CC=C(C)CC1 ZINC001276001110 808983890 /nfs/dbraw/zinc/98/38/90/808983890.db2.gz DMCDESJUVBXQLB-RDJZCZTQSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCCC[C@H]1CNC(=O)/C(C)=C/CC ZINC001276288226 808999851 /nfs/dbraw/zinc/99/98/51/808999851.db2.gz AVHWBDVRVBPSMU-NRUITVPNSA-N 1 1 298.858 3.456 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCCC[C@H]1CNC(=O)/C(C)=C/CC ZINC001276288226 808999857 /nfs/dbraw/zinc/99/98/57/808999857.db2.gz AVHWBDVRVBPSMU-NRUITVPNSA-N 1 1 298.858 3.456 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC(C)C)C[C@H]2C1 ZINC001276838661 809035482 /nfs/dbraw/zinc/03/54/82/809035482.db2.gz BAIGSHAIMPIUMV-BRWVUGGUSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(CC)CC)C[C@H]2C1 ZINC001276822269 809035954 /nfs/dbraw/zinc/03/59/54/809035954.db2.gz XKVPYMCPYSLKBB-YESZJQIVSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(CC)CC)C[C@H]2C1 ZINC001276822266 809036494 /nfs/dbraw/zinc/03/64/94/809036494.db2.gz XKVPYMCPYSLKBB-ULQDDVLXSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CCCC2(CN(C(=O)CC3(C)CC3)C2)C1 ZINC001276868933 809039185 /nfs/dbraw/zinc/03/91/85/809039185.db2.gz DGTOTQUIRVEALN-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC([N@H+](C)CCC(C)C)CC2)C1 ZINC001277423791 809073939 /nfs/dbraw/zinc/07/39/39/809073939.db2.gz VXNSAQYWLMTAAX-UHFFFAOYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C(C)(C)CCC)C2)C1 ZINC001277474550 809075751 /nfs/dbraw/zinc/07/57/51/809075751.db2.gz RMPAJDAKJGPJSV-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCC(=O)N1CC[C@]2(C1)CCC[N@H+](C[C@@H](F)CC)C2 ZINC001277459593 809076313 /nfs/dbraw/zinc/07/63/13/809076313.db2.gz QSPRTXWWTSWEJK-DOTOQJQBSA-N 1 1 296.430 3.015 20 30 CGEDMO C#CC[N@H+](C)C1CCN(C(=O)C(C)(C)CCCCC)CC1 ZINC001277447178 809076583 /nfs/dbraw/zinc/07/65/83/809076583.db2.gz ASNJLKJSHKKACO-UHFFFAOYSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCC(=O)N[C@@]12CCC[C@@H]1[N@@H+](CC=C(C)C)CC2 ZINC001278439302 809133316 /nfs/dbraw/zinc/13/33/16/809133316.db2.gz IXHNZKHYWLRJSA-DOTOQJQBSA-N 1 1 276.424 3.032 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC001278501748 809137312 /nfs/dbraw/zinc/13/73/12/809137312.db2.gz YKRNUKNIAZNPGX-DOTOQJQBSA-N 1 1 286.419 3.122 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001278662665 809150406 /nfs/dbraw/zinc/15/04/06/809150406.db2.gz DPUHIBCTOZIVNY-ROUUACIJSA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@]1(C)CCC[N@@H+](CC2CC2)C1 ZINC001278673476 809150818 /nfs/dbraw/zinc/15/08/18/809150818.db2.gz SOUFPTFDNKPMAR-SFHVURJKSA-N 1 1 292.467 3.217 20 30 CGEDMO C=C(C)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC001174789655 809163778 /nfs/dbraw/zinc/16/37/78/809163778.db2.gz QXUJNNLZYNGTOK-UHFFFAOYSA-N 1 1 265.788 3.037 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](C[C@@H]2CC(C)(C)OC2(C)C)C1 ZINC001174891235 809192934 /nfs/dbraw/zinc/19/29/34/809192934.db2.gz RCOBMKAVCUQUNI-KGLIPLIRSA-N 1 1 251.414 3.478 20 30 CGEDMO C#CCC[N@H+](C)CCCN(C)C(=O)C1(CC)CCCCC1 ZINC001280883737 809203260 /nfs/dbraw/zinc/20/32/60/809203260.db2.gz OWKRVCRSRFCVPF-UHFFFAOYSA-N 1 1 292.467 3.151 20 30 CGEDMO CC#CC[N@H+](C)CCCN(C)C(=O)C[C@@H](CC)C(C)(C)C ZINC001280872547 809203437 /nfs/dbraw/zinc/20/34/37/809203437.db2.gz GMZLSWUFIACETI-MRXNPFEDSA-N 1 1 294.483 3.252 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)CCC)C(C)(C)C1 ZINC001281542866 809213632 /nfs/dbraw/zinc/21/36/32/809213632.db2.gz XPSBDZIFGOCUBT-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)F)C[C@H]1C ZINC001281645654 809216918 /nfs/dbraw/zinc/21/69/18/809216918.db2.gz ZVKTYVJWTJCLCP-HUUCEWRRSA-N 1 1 298.446 3.450 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccc(C)o1 ZINC001281921460 809223475 /nfs/dbraw/zinc/22/34/75/809223475.db2.gz YEGCIFCUFRVCGG-HNNXBMFYSA-N 1 1 290.407 3.091 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)CCC1CCC1 ZINC001281930151 809224145 /nfs/dbraw/zinc/22/41/45/809224145.db2.gz UCWOOSDRZMVXJG-OAHLLOKOSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)CCC1CCC1 ZINC001281930151 809224146 /nfs/dbraw/zinc/22/41/46/809224146.db2.gz UCWOOSDRZMVXJG-OAHLLOKOSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1C[N@@H+](C)CCC1CC1 ZINC001281956055 809225546 /nfs/dbraw/zinc/22/55/46/809225546.db2.gz AFWROJQKLUZXMI-SJLPKXTDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccccc1Cl ZINC001281970494 809226582 /nfs/dbraw/zinc/22/65/82/809226582.db2.gz WHNDCRRZUJEFPB-ZDUSSCGKSA-N 1 1 292.810 3.062 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)C1(CF)CCC1 ZINC001281957242 809227219 /nfs/dbraw/zinc/22/72/19/809227219.db2.gz QEUPNIDJSCPSJV-HNNXBMFYSA-N 1 1 296.430 3.015 20 30 CGEDMO C#CCC[N@H+](C)[C@H](C)CNC(=O)c1ccc(C2CCC2)cc1 ZINC001282398041 809246699 /nfs/dbraw/zinc/24/66/99/809246699.db2.gz KLWAIOIZOUAOAS-OAHLLOKOSA-N 1 1 298.430 3.028 20 30 CGEDMO C#CCC[N@H+](C)[C@H](C)CNC(=O)C[C@H](C)C1CCCCC1 ZINC001282467291 809249492 /nfs/dbraw/zinc/24/94/92/809249492.db2.gz IACOQNZACQYDIX-JKSUJKDBSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)C/C=C(/C)C=C ZINC001282677045 809259614 /nfs/dbraw/zinc/25/96/14/809259614.db2.gz XNCUNLABSXDURY-IZNAZMGOSA-N 1 1 276.424 3.056 20 30 CGEDMO C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)CCCC1CC1 ZINC001282674570 809259741 /nfs/dbraw/zinc/25/97/41/809259741.db2.gz GKQGFMCGOQCQJP-MRXNPFEDSA-N 1 1 278.440 3.114 20 30 CGEDMO C#CCCCCC(=O)NC[C@@H]1CCCCC[N@@H+]1CC(C)C ZINC001282668460 809259778 /nfs/dbraw/zinc/25/97/78/809259778.db2.gz YWLIHYBCVKRERU-KRWDZBQOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1C[N@H+](C[C@H](C)CC)CC1(C)C ZINC001282812378 809263460 /nfs/dbraw/zinc/26/34/60/809263460.db2.gz VEGNNQGGXRCSSQ-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)C2CC2)C(C)(C)C1 ZINC001282833152 809264787 /nfs/dbraw/zinc/26/47/87/809264787.db2.gz ILISPENBBLDUEF-GDBMZVCRSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)CCC)[C@@H]2C1 ZINC001282876818 809266098 /nfs/dbraw/zinc/26/60/98/809266098.db2.gz XFEVNJKXHODQRE-PHZGNYQRSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C=C(CC)CC)C[C@H]2C1 ZINC001282944743 809266584 /nfs/dbraw/zinc/26/65/84/809266584.db2.gz BJKUKJYDHNIIOE-YESZJQIVSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C=C(CC)CC)C[C@@H]2C1 ZINC001282944741 809266970 /nfs/dbraw/zinc/26/69/70/809266970.db2.gz BJKUKJYDHNIIOE-GVDBMIGSSA-N 1 1 290.451 3.136 20 30 CGEDMO CC#CCCCC(=O)N[C@H]1CCC[N@@H+](CC=C(C)C)[C@H]1C ZINC001284129474 809297610 /nfs/dbraw/zinc/29/76/10/809297610.db2.gz IJJONBMUNOHWMF-IRXDYDNUSA-N 1 1 290.451 3.115 20 30 CGEDMO C=C(Br)C[N@H+]1CCSC[C@H]1C(C)(C)C ZINC001175698014 809510162 /nfs/dbraw/zinc/51/01/62/809510162.db2.gz JVMMUCIFZLETMW-JTQLQIEISA-N 1 1 278.259 3.359 20 30 CGEDMO C=C(Br)C[N@@H+]1CCSC[C@H]1C(C)(C)C ZINC001175698014 809510164 /nfs/dbraw/zinc/51/01/64/809510164.db2.gz JVMMUCIFZLETMW-JTQLQIEISA-N 1 1 278.259 3.359 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)/C=C(/C)c1cccs1 ZINC001297373582 809516474 /nfs/dbraw/zinc/51/64/74/809516474.db2.gz YNHYTLGTJAHGQL-YPKPFQOOSA-N 1 1 292.448 3.118 20 30 CGEDMO FC[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC001175732621 809521545 /nfs/dbraw/zinc/52/15/45/809521545.db2.gz GOZPAMRPLZSGAY-AWEZNQCLSA-N 1 1 265.759 3.373 20 30 CGEDMO C=C1CCC(CNC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001303406955 809610261 /nfs/dbraw/zinc/61/02/61/809610261.db2.gz SRJIRZBOMQWEDS-QLFBSQMISA-N 1 1 278.440 3.110 20 30 CGEDMO C#CC[N@@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C(C)C ZINC001176373313 809681727 /nfs/dbraw/zinc/68/17/27/809681727.db2.gz OHURWDWVZMUBTQ-UHFFFAOYSA-N 1 1 295.304 3.280 20 30 CGEDMO C=CCCCC[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC001176728867 809751782 /nfs/dbraw/zinc/75/17/82/809751782.db2.gz YBRARNKRTJZWCX-HUUCEWRRSA-N 1 1 296.455 3.435 20 30 CGEDMO C#C[C@@H]1CCCC[N@H+]1C[C@@H]1CC2(CO1)CCCCC2 ZINC001176832822 809763768 /nfs/dbraw/zinc/76/37/68/809763768.db2.gz JXVSGXVVWBBVDV-CVEARBPZSA-N 1 1 261.409 3.214 20 30 CGEDMO C#C[C@H]1CCCC[N@@H+]1CCSc1cccc(OC)c1 ZINC001176833440 809764421 /nfs/dbraw/zinc/76/44/21/809764421.db2.gz WOZIRRBIVSQDMG-AWEZNQCLSA-N 1 1 275.417 3.275 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCc3cc(F)cc(F)c3C2)cc1 ZINC001177027094 809775699 /nfs/dbraw/zinc/77/56/99/809775699.db2.gz DUDWYWIAXDVJRM-UHFFFAOYSA-N 1 1 298.336 3.437 20 30 CGEDMO Cc1oc(C(C)(C)C)cc1C[NH2+]CC1(C#N)CCOCC1 ZINC001179780851 809944734 /nfs/dbraw/zinc/94/47/34/809944734.db2.gz WXWVVRPLPXPEHC-UHFFFAOYSA-N 1 1 290.407 3.296 20 30 CGEDMO CC(C)[C@H]1CCC[N@H+]1Cc1cc(C#N)ccc1N(C)C ZINC001180129372 809977157 /nfs/dbraw/zinc/97/71/57/809977157.db2.gz PRXPJMCVKYHERL-MRXNPFEDSA-N 1 1 271.408 3.245 20 30 CGEDMO C#CCCCCCC[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC001180359755 809995666 /nfs/dbraw/zinc/99/56/66/809995666.db2.gz VHYFCDNEZXBIKQ-UHFFFAOYSA-N 1 1 287.403 3.473 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1c(C)[nH]c(C(=O)OCC)c1C ZINC001181315934 810047385 /nfs/dbraw/zinc/04/73/85/810047385.db2.gz SMHKNMOPDXMUDO-CQSZACIVSA-N 1 1 290.407 3.349 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H]1C[C@]1(C)Br ZINC001181315089 810047785 /nfs/dbraw/zinc/04/77/85/810047785.db2.gz JUZXKIVJGCQVGI-UTUOFQBUSA-N 1 1 258.203 3.200 20 30 CGEDMO C=CCC[C@H]([NH2+][C@@H]1CC[C@H](C)C[C@H]1C)C(=O)OCC ZINC001181827638 810074844 /nfs/dbraw/zinc/07/48/44/810074844.db2.gz NAFARVGNJZXFKN-YJNKXOJESA-N 1 1 267.413 3.299 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)C2CCCCC2)C1 ZINC001188674862 810502124 /nfs/dbraw/zinc/50/21/24/810502124.db2.gz GVCRMAFIZLEVDK-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC1(CC(=O)N2CC[C@H]3C[N@H+](CC)C[C@H]32)CCCCC1 ZINC001189406622 810567583 /nfs/dbraw/zinc/56/75/83/810567583.db2.gz SHWRFJMWKKNOQO-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)C=C(CC)CC)C1 ZINC001189663467 810584683 /nfs/dbraw/zinc/58/46/83/810584683.db2.gz DYSVKDCIMJOIKG-INIZCTEOSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](F)CCCCCC)[C@@H]2C1 ZINC001189794004 810589821 /nfs/dbraw/zinc/58/98/21/810589821.db2.gz MPMSWAXNWVGGCB-ARFHVFGLSA-N 1 1 296.430 3.014 20 30 CGEDMO CCCCCCCCC(=O)N1CC[C@H]2C[N@@H+](CC)C[C@H]21 ZINC001189937091 810595274 /nfs/dbraw/zinc/59/52/74/810595274.db2.gz RATSXDXSFINUCB-JKSUJKDBSA-N 1 1 280.456 3.290 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)CCCC)C1 ZINC001189942857 810596464 /nfs/dbraw/zinc/59/64/64/810596464.db2.gz ASNQGGGCAXOGAV-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)CCCC)C1 ZINC001189974280 810598995 /nfs/dbraw/zinc/59/89/95/810598995.db2.gz VNOQHXKVFYSSLY-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)CC2(C)CCCC2)C1 ZINC001189963210 810599482 /nfs/dbraw/zinc/59/94/82/810599482.db2.gz KJMPPUSLASPTIC-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@@H]([N@H+](C)CC/C=C/CC)C1 ZINC001190397552 810624859 /nfs/dbraw/zinc/62/48/59/810624859.db2.gz LJXXNACEBHMHQH-ROJDOSBLSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CC[C@@H]([N@H+](C)CC/C=C\CC)C1 ZINC001190397548 810625537 /nfs/dbraw/zinc/62/55/37/810625537.db2.gz LJXXNACEBHMHQH-HLRDLLSLSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@@H]([N@@H+](C)CC2=CCCCC2)C1 ZINC001190428345 810626709 /nfs/dbraw/zinc/62/67/09/810626709.db2.gz HRAHYCIYFIUISS-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@@H]([N@H+](C)CC(CC)CC)C1 ZINC001190435410 810628392 /nfs/dbraw/zinc/62/83/92/810628392.db2.gz FJFUMVULHUMZBG-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO COC(=O)CC[N@@H+](CCCCC1(C#N)CCC1)CC(C)C ZINC001190660310 810643186 /nfs/dbraw/zinc/64/31/86/810643186.db2.gz HLSOGZBGJROKDI-UHFFFAOYSA-N 1 1 294.439 3.372 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC=CCCC2)C1 ZINC001190879092 810655901 /nfs/dbraw/zinc/65/59/01/810655901.db2.gz OEOIADZUDGQVIF-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO CCCCCCCCNC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001191074411 810671006 /nfs/dbraw/zinc/67/10/06/810671006.db2.gz YLUWYOFXQGIDJI-MUJYYYPQSA-N 1 1 295.471 3.271 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)C2(CC(C)C)CCC2)C1 ZINC001191284944 810696055 /nfs/dbraw/zinc/69/60/55/810696055.db2.gz WKLLXHIONWKDMA-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001191302041 810698745 /nfs/dbraw/zinc/69/87/45/810698745.db2.gz DJBKUPMPLVBMLX-BZUAXINKSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CC2(C)CC2)C1 ZINC001191414959 810712067 /nfs/dbraw/zinc/71/20/67/810712067.db2.gz QAXJQYVSZYHXHX-LSDHHAIUSA-N 1 1 278.440 3.064 20 30 CGEDMO C#CCC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H](CC)CCCC)C1 ZINC001191430012 810712779 /nfs/dbraw/zinc/71/27/79/810712779.db2.gz AIRONZSZOGPOSS-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](CC)CCCCCC)C1 ZINC001191719207 810732453 /nfs/dbraw/zinc/73/24/53/810732453.db2.gz JTSDKMRUGNQOBF-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](F)CC)C1 ZINC001191755078 810736367 /nfs/dbraw/zinc/73/63/67/810736367.db2.gz UGDRQDGWTPUMLE-CABCVRRESA-N 1 1 284.419 3.014 20 30 CGEDMO C#CCCCCCC(=O)N1CC[C@H]([N@H+](C)CCCCC)C1 ZINC001191762345 810737776 /nfs/dbraw/zinc/73/77/76/810737776.db2.gz BAVDBCWDHKDSMZ-KRWDZBQOSA-N 1 1 292.467 3.293 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)CC(C)=C(C)C)C1 ZINC001191810420 810744936 /nfs/dbraw/zinc/74/49/36/810744936.db2.gz XVZHAKLBKUEDQD-MRXNPFEDSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)CC(C)=C(C)C)C1 ZINC001191808688 810745107 /nfs/dbraw/zinc/74/51/07/810745107.db2.gz IOIIMKXYHUEHSA-MRXNPFEDSA-N 1 1 278.440 3.232 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C/C=C(\C)C=C)C1 ZINC001191830081 810749118 /nfs/dbraw/zinc/74/91/18/810749118.db2.gz UDSPCQDURUFONJ-UTZIXYHNSA-N 1 1 290.451 3.396 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[C@@H]([N@@H+](C)CCC(=C)C)C1 ZINC001191890075 810754551 /nfs/dbraw/zinc/75/45/51/810754551.db2.gz NPDFJWIYIMZUJZ-HZPDHXFCSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@@H]([N@H+](C)CCC(C)C)C2)CCC1 ZINC001192189283 810774407 /nfs/dbraw/zinc/77/44/07/810774407.db2.gz CJLUYNSINYENGP-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC1(C(=O)N2CC[C@@H]([N@@H+](C)CCC(=C)C)C2)CC1 ZINC001192207817 810775101 /nfs/dbraw/zinc/77/51/01/810775101.db2.gz ZSYFWUMVKIQFOC-MRXNPFEDSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC[C@H]([N@H+](C)CCCC(C)C)C2)C1 ZINC001192257352 810781505 /nfs/dbraw/zinc/78/15/05/810781505.db2.gz NCTSEXXBCWJHPG-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C2CC3(CC3)C2)C1 ZINC001192294680 810784065 /nfs/dbraw/zinc/78/40/65/810784065.db2.gz NVRPBZLQZZILNN-GOEBONIOSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)CC/C=C\c2ccccc2)C1 ZINC001192326979 810788138 /nfs/dbraw/zinc/78/81/38/810788138.db2.gz VZSKYTUCAGWOAZ-VTSXBNNFSA-N 1 1 298.430 3.199 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)CC=C)C1 ZINC001192587057 810809122 /nfs/dbraw/zinc/80/91/22/810809122.db2.gz ZGGQGQLYCHGAPI-HOTGVXAUSA-N 1 1 292.467 3.476 20 30 CGEDMO C=CC1(CC(=O)N2CC[C@@H]([N@H+](C)C(C)C)C2)CCCCC1 ZINC001192825909 810822314 /nfs/dbraw/zinc/82/23/14/810822314.db2.gz NMPVFRVWABILDG-MRXNPFEDSA-N 1 1 292.467 3.454 20 30 CGEDMO CCCCCCC[C@H](C)NC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC001192931312 810830458 /nfs/dbraw/zinc/83/04/58/810830458.db2.gz MUEHKPLVCQWGCO-HRCADAONSA-N 1 1 297.487 3.469 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)CC[C@@H](C)CC)C1 ZINC001193025825 810843172 /nfs/dbraw/zinc/84/31/72/810843172.db2.gz GTRZLLXONWJMGA-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)CC[C@@H](C)CC)C1 ZINC001193025313 810843894 /nfs/dbraw/zinc/84/38/94/810843894.db2.gz CLPHKCRQEUWGGD-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CCC[N@H+](C)[C@H]1CCN(C(=O)C[C@@H](CC)C(C)(C)C)C1 ZINC001193432027 810887447 /nfs/dbraw/zinc/88/74/47/810887447.db2.gz FFCDZGIMPIOIGL-CVEARBPZSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@H](CC)C(C)C)C1 ZINC001193570419 810910994 /nfs/dbraw/zinc/91/09/94/810910994.db2.gz JNMUTEGFIAJXEK-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)C(C)(C)C)C1 ZINC001193695520 810937530 /nfs/dbraw/zinc/93/75/30/810937530.db2.gz JBJNWFRPSXKMMR-CABCVRRESA-N 1 1 280.456 3.168 20 30 CGEDMO CCCCCCCOC(=O)N1CCC[N@@H+](CC)CC1 ZINC001193985731 810996151 /nfs/dbraw/zinc/99/61/51/810996151.db2.gz NXQFRNFUYXJLOM-UHFFFAOYSA-N 1 1 270.417 3.121 20 30 CGEDMO CCCCCCCOC(=O)NCC[C@H]1CCC[N@H+]1C ZINC001194013328 811001491 /nfs/dbraw/zinc/00/14/91/811001491.db2.gz VACWFURZDSQRQK-CQSZACIVSA-N 1 1 270.417 3.167 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)CCCCC)C1 ZINC001194174637 811028183 /nfs/dbraw/zinc/02/81/83/811028183.db2.gz WZWBNUVCFXFTAE-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](CCCC)C(C)C)C1 ZINC001194306757 811049467 /nfs/dbraw/zinc/04/94/67/811049467.db2.gz WWCOWNCOLHPFTQ-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)CCCC2CCCC2)C1 ZINC001194337477 811055304 /nfs/dbraw/zinc/05/53/04/811055304.db2.gz SMIKVAZEKWXMIC-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CCC)CC(C)C)C1 ZINC001194360144 811060189 /nfs/dbraw/zinc/06/01/89/811060189.db2.gz WZLUSXHOSVQGAJ-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO CC#CCN(C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001194734279 811119575 /nfs/dbraw/zinc/11/95/75/811119575.db2.gz RLRZLAZHDIHQRF-UHFFFAOYSA-N 1 1 270.420 3.128 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC001194754998 811125391 /nfs/dbraw/zinc/12/53/91/811125391.db2.gz MLGQYGUEBJPZLR-CABCVRRESA-N 1 1 274.383 3.138 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)/C=C\C(C)(C)C)CC1 ZINC001195356627 811248080 /nfs/dbraw/zinc/24/80/80/811248080.db2.gz UOSQZOMAZBKHME-CLFYSBASSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCCC[N@H+]1CCCN(C(=O)CCC2CCC2)CC1 ZINC001195433871 811254756 /nfs/dbraw/zinc/25/47/56/811254756.db2.gz ALTLAUBZYIYXEQ-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C[C@@H](C)SC)CC1 ZINC001195540775 811267027 /nfs/dbraw/zinc/26/70/27/811267027.db2.gz HDIGXOCFCGIOCL-LSDHHAIUSA-N 1 1 298.496 3.017 20 30 CGEDMO C#CCCCCC(=O)N1CCC[N@H+](CC(CC)CC)CC1 ZINC001195563103 811267486 /nfs/dbraw/zinc/26/74/86/811267486.db2.gz UMXBXMKGYWFKGY-UHFFFAOYSA-N 1 1 292.467 3.151 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)c2sccc2F)CC1 ZINC001195709664 811280606 /nfs/dbraw/zinc/28/06/06/811280606.db2.gz DTOHPHCEFNROGM-UHFFFAOYSA-N 1 1 296.411 3.001 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@@H](C)CCCC)CC1 ZINC001195717252 811281802 /nfs/dbraw/zinc/28/18/02/811281802.db2.gz MGCSFTCKFWCFAV-INIZCTEOSA-N 1 1 280.456 3.313 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)/C=C(\C)CC)CC1 ZINC001195760321 811288432 /nfs/dbraw/zinc/28/84/32/811288432.db2.gz AIQAMSUIWDAHQM-IYOXOMEYSA-N 1 1 278.440 3.232 20 30 CGEDMO C#CCC[N@@H+]1CCCN(C(=O)CCCC[C@H](C)CC)CC1 ZINC001195982037 811307926 /nfs/dbraw/zinc/30/79/26/811307926.db2.gz MKOJBEMYDXTGFJ-QGZVFWFLSA-N 1 1 292.467 3.151 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C(C)(C)C(=C)C)CC1 ZINC001196724922 811360307 /nfs/dbraw/zinc/36/03/07/811360307.db2.gz SNDGBXJUTIEFAC-INIZCTEOSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)C2(C)CCC2)CC1 ZINC001196762808 811363224 /nfs/dbraw/zinc/36/32/24/811363224.db2.gz PEOYQOQSLVAQHS-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCN(C(=O)C2(CC)CCC2)CC1 ZINC001196832527 811372645 /nfs/dbraw/zinc/37/26/45/811372645.db2.gz XKCRXWVAQGXLCF-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N1CCC[N@H+](CC/C=C\CC)CC1 ZINC001196880504 811376395 /nfs/dbraw/zinc/37/63/95/811376395.db2.gz LFLGXGKRJOKFPM-JTGQJZMRSA-N 1 1 292.467 3.479 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1CCC[N@H+](CC/C=C/CC)CC1 ZINC001197038865 811395291 /nfs/dbraw/zinc/39/52/91/811395291.db2.gz ZLJBUOGRMNDQPZ-BLGFXRMMSA-N 1 1 292.467 3.479 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)[C@H]2C[C@@]2(C)C(C)C)CC1 ZINC001197628573 811438797 /nfs/dbraw/zinc/43/87/97/811438797.db2.gz CPACCWXJBLNYQX-AEFFLSMTSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[C@H]1CCC[N@@H+]1Cc1cc(C(F)(F)F)nn1C ZINC001198414186 811499174 /nfs/dbraw/zinc/49/91/74/811499174.db2.gz GKYLHBVEGSKRDC-NSHDSACASA-N 1 1 287.329 3.370 20 30 CGEDMO CCc1ccc2c(c1)C[N@H+](C[C@@H](O)CC1(C#N)CCC1)CC2 ZINC001198851413 811548147 /nfs/dbraw/zinc/54/81/47/811548147.db2.gz HJTVWOGLLTWYTM-SFHVURJKSA-N 1 1 298.430 3.052 20 30 CGEDMO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](CC1CCCCC1)C2 ZINC001201397584 811827867 /nfs/dbraw/zinc/82/78/67/811827867.db2.gz NAVUWEJIXFZCGZ-MSOLQXFVSA-N 1 1 293.451 3.393 20 30 CGEDMO COc1ccc(C#N)cc1Nc1cc(OC)c(C)c[nH+]1 ZINC001201585960 811913947 /nfs/dbraw/zinc/91/39/47/811913947.db2.gz ZADHFDGDUUWXBE-UHFFFAOYSA-N 1 1 269.304 3.023 20 30 CGEDMO CCCCCCCCCCC[N@H+]1CC[C@H](O)[C@H](CO)C1 ZINC001201631509 811925512 /nfs/dbraw/zinc/92/55/12/811925512.db2.gz USZTXLKYXWUUBI-IRXDYDNUSA-N 1 1 285.472 3.192 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@]2(C1)CCCCN2C(C)=O ZINC001201777210 811964797 /nfs/dbraw/zinc/96/47/97/811964797.db2.gz TUVWSEAKPHHVEC-QGZVFWFLSA-N 1 1 280.456 3.434 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@H](Oc2cnccn2)C1 ZINC001201798105 811965922 /nfs/dbraw/zinc/96/59/22/811965922.db2.gz OQZAZZFDVAYJMX-OAHLLOKOSA-N 1 1 277.412 3.290 20 30 CGEDMO CCCCCCCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)C ZINC001201826429 811968186 /nfs/dbraw/zinc/96/81/86/811968186.db2.gz WHJOBJGLQDJGFJ-ZSHCYNCHSA-N 1 1 280.456 3.049 20 30 CGEDMO CC(C)(C)CC[NH+]1CC(Oc2ccccc2C#N)C1 ZINC001202114624 812017783 /nfs/dbraw/zinc/01/77/83/812017783.db2.gz BSNMSJXLQSDYIV-UHFFFAOYSA-N 1 1 258.365 3.057 20 30 CGEDMO C=CCOC[C@@]12CCCO[C@@H]1CC[N@@H+](CC1CCCC1)C2 ZINC001202159992 812026041 /nfs/dbraw/zinc/02/60/41/812026041.db2.gz GBWRYEVCTXCYGJ-MSOLQXFVSA-N 1 1 293.451 3.250 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1c(C)cccc1C ZINC001202215111 812040220 /nfs/dbraw/zinc/04/02/20/812040220.db2.gz RLADOJAYTBKKEB-HNNXBMFYSA-N 1 1 287.407 3.075 20 30 CGEDMO C=CC[N@H+](CCN(C)C(=O)OC(C)(C)C)C(C)(C)C ZINC001203002193 812215821 /nfs/dbraw/zinc/21/58/21/812215821.db2.gz RDNJZILJHUGLFN-UHFFFAOYSA-N 1 1 270.417 3.140 20 30 CGEDMO COc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)c(C)c1C ZINC001203726496 812443555 /nfs/dbraw/zinc/44/35/55/812443555.db2.gz FFLKMDSTNQQNBD-INIZCTEOSA-N 1 1 258.365 3.048 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)c(C)c1C ZINC001203726496 812443558 /nfs/dbraw/zinc/44/35/58/812443558.db2.gz FFLKMDSTNQQNBD-INIZCTEOSA-N 1 1 258.365 3.048 20 30 CGEDMO CCOC[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(C#N)cc1)C2 ZINC001203901471 812486880 /nfs/dbraw/zinc/48/68/80/812486880.db2.gz DPQJNWKOGVZTSI-MSOLQXFVSA-N 1 1 284.403 3.197 20 30 CGEDMO CN(C)c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cc1 ZINC001203937818 812497837 /nfs/dbraw/zinc/49/78/37/812497837.db2.gz UBSZTJQAAYGFQL-XGBSXSJOSA-N 1 1 269.392 3.019 20 30 CGEDMO CCOc1cc(C[N@H+](CCC#N)C2CCCC2)ccc1O ZINC001204129277 812553167 /nfs/dbraw/zinc/55/31/67/812553167.db2.gz KBIRHBXUBLSMQH-UHFFFAOYSA-N 1 1 288.391 3.449 20 30 CGEDMO CCOc1cc(C[N@@H+](CCC#N)C2CCCC2)ccc1O ZINC001204129277 812553170 /nfs/dbraw/zinc/55/31/70/812553170.db2.gz KBIRHBXUBLSMQH-UHFFFAOYSA-N 1 1 288.391 3.449 20 30 CGEDMO CCc1ccc(C[N@H+]2CC[C@H]3SC(=O)C=C3C2)cc1 ZINC001204176822 812566671 /nfs/dbraw/zinc/56/66/71/812566671.db2.gz VTRGGAGPBPLJBP-OAHLLOKOSA-N 1 1 273.401 3.023 20 30 CGEDMO CCc1ccc(C[N@@H+]2CCC3SC(=O)C=C3C2)cc1 ZINC001204176822 812566676 /nfs/dbraw/zinc/56/66/76/812566676.db2.gz VTRGGAGPBPLJBP-OAHLLOKOSA-N 1 1 273.401 3.023 20 30 CGEDMO CCc1ccc(C[N@H+]2CCC3SC(=O)C=C3C2)cc1 ZINC001204176822 812566682 /nfs/dbraw/zinc/56/66/82/812566682.db2.gz VTRGGAGPBPLJBP-OAHLLOKOSA-N 1 1 273.401 3.023 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H](C(C)=O)C2)cc1 ZINC001204303203 812604950 /nfs/dbraw/zinc/60/49/50/812604950.db2.gz BWUBTHCZJOQSKT-INIZCTEOSA-N 1 1 273.376 3.052 20 30 CGEDMO C=CCOc1ccc(CN2CC[N@H+](CC)CC2(C)C)cc1 ZINC001204302288 812605548 /nfs/dbraw/zinc/60/55/48/812605548.db2.gz GKLZQKWCOSHJTR-UHFFFAOYSA-N 1 1 288.435 3.168 20 30 CGEDMO CC[N@H+](CCC#N)Cc1ccc(N2CCCC2)cc1 ZINC001204327435 812613837 /nfs/dbraw/zinc/61/38/37/812613837.db2.gz UDZZCDIRPZDGFF-UHFFFAOYSA-N 1 1 257.381 3.022 20 30 CGEDMO CC[N@@H+](CCC#N)Cc1ccc(N2CCCC2)cc1 ZINC001204327435 812613843 /nfs/dbraw/zinc/61/38/43/812613843.db2.gz UDZZCDIRPZDGFF-UHFFFAOYSA-N 1 1 257.381 3.022 20 30 CGEDMO C[N@@H+](CC/C=C/c1cccnc1)Cc1ccccc1C#N ZINC001204372872 812623459 /nfs/dbraw/zinc/62/34/59/812623459.db2.gz MGJCWXTZRRZLHF-QPJJXVBHSA-N 1 1 277.371 3.489 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(F)c(F)c1N(C)C)C(C)C ZINC001204441647 812640216 /nfs/dbraw/zinc/64/02/16/812640216.db2.gz QFNNSEFVRNMBBU-UHFFFAOYSA-N 1 1 268.351 3.427 20 30 CGEDMO N#Cc1ccccc1C[N@H+]1CC[C@H](OC2CCCC2)C1 ZINC001205568109 813005590 /nfs/dbraw/zinc/00/55/90/813005590.db2.gz WDMCNEZHVWIFRO-KRWDZBQOSA-N 1 1 270.376 3.092 20 30 CGEDMO N#CCCOC1C[NH+](C(c2ccccc2)c2ccccc2)C1 ZINC001205610692 813024368 /nfs/dbraw/zinc/02/43/68/813024368.db2.gz OSMAKMFKGASYAR-UHFFFAOYSA-N 1 1 292.382 3.390 20 30 CGEDMO C=CCCCCCCCCC[N@H+]1CCCC[C@](O)(CN)C1 ZINC001205666068 813048256 /nfs/dbraw/zinc/04/82/56/813048256.db2.gz ZIKRPVLGBSJJSZ-SFHVURJKSA-N 1 1 296.499 3.469 20 30 CGEDMO C=CCCCCCCCCC[N@@H+]1CCCC[C@](O)(CN)C1 ZINC001205666068 813048264 /nfs/dbraw/zinc/04/82/64/813048264.db2.gz ZIKRPVLGBSJJSZ-SFHVURJKSA-N 1 1 296.499 3.469 20 30 CGEDMO Cc1cc[nH+]c(N2CCC(OCCCCC#N)CC2)c1 ZINC001205672535 813049968 /nfs/dbraw/zinc/04/99/68/813049968.db2.gz LQQLKNVVHKXCQG-UHFFFAOYSA-N 1 1 273.380 3.069 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC2)C1 ZINC001205721223 813059855 /nfs/dbraw/zinc/05/98/55/813059855.db2.gz UWTJGJXEFJVNOH-GDBMZVCRSA-N 1 1 280.456 3.193 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)Cc1ccc2oc(=O)oc2c1 ZINC001205740776 813065093 /nfs/dbraw/zinc/06/50/93/813065093.db2.gz KRORGLZWJORSMU-UHFFFAOYSA-N 1 1 293.322 3.021 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc2oc(=O)oc2c1 ZINC001205740776 813065097 /nfs/dbraw/zinc/06/50/97/813065097.db2.gz KRORGLZWJORSMU-UHFFFAOYSA-N 1 1 293.322 3.021 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C=C(C)C)C1 ZINC001205858751 813111264 /nfs/dbraw/zinc/11/12/64/813111264.db2.gz IHRPJJSMZQCFCB-HZPDHXFCSA-N 1 1 280.456 3.360 20 30 CGEDMO Cc1ccc(-c2c[nH+]c(N(C)C)cc2C)c(C#N)c1 ZINC001242591828 823049950 /nfs/dbraw/zinc/04/99/50/823049950.db2.gz GPFHFCMNJJOHOO-UHFFFAOYSA-N 1 1 251.333 3.303 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)CCCC)C1 ZINC001206162282 813219467 /nfs/dbraw/zinc/21/94/67/813219467.db2.gz VQNUINXVMVCSLJ-OWCLPIDISA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCCC[C@@](F)(CN)C2)CC1 ZINC001206338321 813294701 /nfs/dbraw/zinc/29/47/01/813294701.db2.gz ZPKYOOBUNUNIFF-IAGOWNOFSA-N 1 1 280.431 3.442 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCCC[C@@](F)(CN)C2)CC1 ZINC001206338321 813294706 /nfs/dbraw/zinc/29/47/06/813294706.db2.gz ZPKYOOBUNUNIFF-IAGOWNOFSA-N 1 1 280.431 3.442 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)CCC)C1 ZINC001206517646 813340816 /nfs/dbraw/zinc/34/08/16/813340816.db2.gz AYZUISCPFAXQKZ-BZUAXINKSA-N 1 1 280.456 3.215 20 30 CGEDMO CCCCCCC[C@H](C)OCCCN1CC[NH+](C)CC1 ZINC001206588882 813366235 /nfs/dbraw/zinc/36/62/35/813366235.db2.gz BSAIRKGKQXFHED-KRWDZBQOSA-N 1 1 284.488 3.390 20 30 CGEDMO CCCCCCCCC[N@H+]1CCC(F)(F)[C@@H](N)C1 ZINC001206649152 813387200 /nfs/dbraw/zinc/38/72/00/813387200.db2.gz ROEJDPPXYVBCKO-ZDUSSCGKSA-N 1 1 262.388 3.405 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1Nc1c(C#N)ccc(F)c1F ZINC001206755255 813422808 /nfs/dbraw/zinc/42/28/08/813422808.db2.gz XRKPLDKAVODHFH-UHFFFAOYSA-N 1 1 288.301 3.350 20 30 CGEDMO C=CCC[N@H+](Cc1cnc(C)n1C)Cc1ccccc1 ZINC001206794582 813438089 /nfs/dbraw/zinc/43/80/89/813438089.db2.gz UOYWJRLBBALWKP-UHFFFAOYSA-N 1 1 269.392 3.307 20 30 CGEDMO Fc1cccnc1C[NH+]1CCC(C#Cc2ccccc2)CC1 ZINC001207036584 813471565 /nfs/dbraw/zinc/47/15/65/813471565.db2.gz QOMQIPYDDFAHDU-UHFFFAOYSA-N 1 1 294.373 3.484 20 30 CGEDMO N#CCCN(Cc1[nH+]cc2ccccn21)Cc1ccccc1 ZINC001207048351 813472702 /nfs/dbraw/zinc/47/27/02/813472702.db2.gz MICUFHJXXFNKED-UHFFFAOYSA-N 1 1 290.370 3.250 20 30 CGEDMO C=CCC[N@H+](Cc1ccccc1)Cc1cccc(=O)[nH]1 ZINC001207070660 813479160 /nfs/dbraw/zinc/47/91/60/813479160.db2.gz AYAAYCSLGJMEMC-UHFFFAOYSA-N 1 1 268.360 3.366 20 30 CGEDMO Cn1cc(C[N@@H+](C)Cc2cccc3cccnc32)cc1C#N ZINC001207106557 813487616 /nfs/dbraw/zinc/48/76/16/813487616.db2.gz NSMAUCYJNSQMPS-UHFFFAOYSA-N 1 1 290.370 3.077 20 30 CGEDMO CC[N@@H+](Cc1cc(C#N)n(C)c1)Cc1ccc(F)cc1 ZINC001207109950 813487717 /nfs/dbraw/zinc/48/77/17/813487717.db2.gz ZPYVUANVXHUFMH-UHFFFAOYSA-N 1 1 271.339 3.058 20 30 CGEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[C@@H](C)CCC)C1 ZINC001207120491 813489439 /nfs/dbraw/zinc/48/94/39/813489439.db2.gz QUSZXBOKVBWWLY-GVDBMIGSSA-N 1 1 292.467 3.053 20 30 CGEDMO CC1(C)C[C@@H](C[N@@H+](CCC#N)C2CCCC2)CCO1 ZINC001207358446 813551127 /nfs/dbraw/zinc/55/11/27/813551127.db2.gz QMBVMMFEVCDJNC-AWEZNQCLSA-N 1 1 264.413 3.350 20 30 CGEDMO COc1ccccc1CC[N@@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001207458876 813569812 /nfs/dbraw/zinc/56/98/12/813569812.db2.gz IDKPVJNCYCHOEZ-MKZZRHPPSA-N 1 1 270.376 3.004 20 30 CGEDMO CCC[N@H+](CCC#N)CCCc1cccc(OC)c1 ZINC001207568422 813597149 /nfs/dbraw/zinc/59/71/49/813597149.db2.gz KAVSRTPWCVHYGJ-UHFFFAOYSA-N 1 1 260.381 3.253 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2C=CCCC2)C1 ZINC001207677340 813632091 /nfs/dbraw/zinc/63/20/91/813632091.db2.gz ARYUVLZSOHSIBV-IXDOHACOSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@H](C(=O)OC)C[C@H](C)C2)CC1 ZINC001208178632 813728503 /nfs/dbraw/zinc/72/85/03/813728503.db2.gz VBPPMTHZDBMKBK-USXIJHARSA-N 1 1 291.435 3.420 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCCC3(C2)OCCO3)CC1 ZINC001208178215 813729172 /nfs/dbraw/zinc/72/91/72/813729172.db2.gz NVRQGFUKDVXGAN-MRXNPFEDSA-N 1 1 277.408 3.128 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C[C@@H](C)CC)C[C@H]1C ZINC001208295084 813752456 /nfs/dbraw/zinc/75/24/56/813752456.db2.gz YBLSVUVAIOMRIC-RRFJBIMHSA-N 1 1 280.456 3.071 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](CCC(C)C)C[C@H]1C ZINC001208301455 813754109 /nfs/dbraw/zinc/75/41/09/813754109.db2.gz CKILROZLZUXWDB-HUUCEWRRSA-N 1 1 280.456 3.071 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@@H+](CCCC(C)C)C[C@H]1C ZINC001208388317 813758812 /nfs/dbraw/zinc/75/88/12/813758812.db2.gz KHTKRJSQOSOIAC-BRWVUGGUSA-N 1 1 294.483 3.461 20 30 CGEDMO C[C@@H](C[N@H+]1CCC[C@H](C#N)CC1)OCc1ccccc1 ZINC001208700388 813801771 /nfs/dbraw/zinc/80/17/71/813801771.db2.gz IIIBKYHEFOYYIG-HOTGVXAUSA-N 1 1 272.392 3.217 20 30 CGEDMO C[N@@H+](CCCc1cccc(C#N)c1)CCc1ccncc1 ZINC001208853877 813867593 /nfs/dbraw/zinc/86/75/93/813867593.db2.gz ZSWFBLRAJNWBJM-UHFFFAOYSA-N 1 1 279.387 3.060 20 30 CGEDMO Cc1nc2c(s1)C[N@@H+](CCCc1ccc(C#N)cc1)CC2 ZINC001208857550 813868860 /nfs/dbraw/zinc/86/88/60/813868860.db2.gz GOSQGNDDRWEEAL-UHFFFAOYSA-N 1 1 297.427 3.314 20 30 CGEDMO COCC[C@H]1CCCC[N@H+]1CCCc1ccc(C#N)cc1 ZINC001208857461 813869918 /nfs/dbraw/zinc/86/99/18/813869918.db2.gz FNTNPGLOZOTYNV-GOSISDBHSA-N 1 1 286.419 3.382 20 30 CGEDMO N#Cc1ccc(CCC[N@H+]2CCC3(CCC3)C2)cc1 ZINC001208862774 813871995 /nfs/dbraw/zinc/87/19/95/813871995.db2.gz PPEOJFJXRCYPGQ-UHFFFAOYSA-N 1 1 254.377 3.367 20 30 CGEDMO C=CCN1CC[NH+](CCCc2ccccc2Cl)CC1 ZINC001208871796 813874234 /nfs/dbraw/zinc/87/42/34/813874234.db2.gz PDQFUQYONWHULR-UHFFFAOYSA-N 1 1 278.827 3.076 20 30 CGEDMO COc1ccc(CC[N@@H+](C)CCc2ccc(C#N)cc2)cc1 ZINC001208926533 813901492 /nfs/dbraw/zinc/90/14/92/813901492.db2.gz UYLOSOHKLMXWBH-UHFFFAOYSA-N 1 1 294.398 3.284 20 30 CGEDMO C=CCN(CC[N@@H+](CC)C1CCCCC1)C(=O)OCC ZINC001209015202 813917695 /nfs/dbraw/zinc/91/76/95/813917695.db2.gz JJKXLUMVQCHWJD-UHFFFAOYSA-N 1 1 282.428 3.286 20 30 CGEDMO C=CCC[N@H+](CCC(=O)OCC)Cc1ccccc1 ZINC001209035131 813918951 /nfs/dbraw/zinc/91/89/51/813918951.db2.gz IODUTVXOPNFZMQ-UHFFFAOYSA-N 1 1 261.365 3.018 20 30 CGEDMO N#C[C@H]1CCC[N@@H+](CCc2ccc(C(F)(F)F)cc2)C1 ZINC001209126407 813941155 /nfs/dbraw/zinc/94/11/55/813941155.db2.gz WYMNXYHRZVIEFA-CYBMUJFWSA-N 1 1 282.309 3.483 20 30 CGEDMO N#C[C@H]1CCC[N@H+](CCc2ccc(C(F)(F)F)cc2)C1 ZINC001209126407 813941158 /nfs/dbraw/zinc/94/11/58/813941158.db2.gz WYMNXYHRZVIEFA-CYBMUJFWSA-N 1 1 282.309 3.483 20 30 CGEDMO C=CCCC[NH+]1C[C@H]2CN(Cc3ccc(C)cc3)C[C@@H]2C1 ZINC001209157448 813950312 /nfs/dbraw/zinc/95/03/12/813950312.db2.gz CHSDVTJPUPVXDP-OALUTQOASA-N 1 1 284.447 3.325 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001209158031 813950609 /nfs/dbraw/zinc/95/06/09/813950609.db2.gz JSPMRVNLNYLWQE-DLBZAZTESA-N 1 1 279.424 3.003 20 30 CGEDMO C=CCCC[N@@H+](Cc1cccnc1)C1CCOCC1 ZINC001209160193 813951182 /nfs/dbraw/zinc/95/11/82/813951182.db2.gz IFPNBDGWWBOOSQ-UHFFFAOYSA-N 1 1 260.381 3.029 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001209162787 813954130 /nfs/dbraw/zinc/95/41/30/813954130.db2.gz NHDOLEPIMUHWAB-AWEZNQCLSA-N 1 1 282.428 3.284 20 30 CGEDMO C=CCCCC[N@H+]1CCCC[C@H]1CN1CCCC1 ZINC001209202191 813965449 /nfs/dbraw/zinc/96/54/49/813965449.db2.gz BTGOTPYUWBFREE-INIZCTEOSA-N 1 1 250.430 3.293 20 30 CGEDMO C=CCCCCN1CCCC[C@H]1C[NH+]1CCCC1 ZINC001209202191 813965450 /nfs/dbraw/zinc/96/54/50/813965450.db2.gz BTGOTPYUWBFREE-INIZCTEOSA-N 1 1 250.430 3.293 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC001209200973 813965494 /nfs/dbraw/zinc/96/54/94/813965494.db2.gz RBBMYMVCRFUFHD-GJZGRUSLSA-N 1 1 294.439 3.284 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC001209202513 813967317 /nfs/dbraw/zinc/96/73/17/813967317.db2.gz JOIJQSOPAJRRAP-AWEZNQCLSA-N 1 1 267.413 3.396 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@H](C(=O)OCCCC)C1 ZINC001209208166 813967850 /nfs/dbraw/zinc/96/78/50/813967850.db2.gz KWTBVSCRAKTTRZ-AWEZNQCLSA-N 1 1 253.386 3.008 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@@H](Oc2ncccc2C)C1 ZINC001209208196 813968525 /nfs/dbraw/zinc/96/85/25/813968525.db2.gz MHODRPLGLLWNBF-OAHLLOKOSA-N 1 1 260.381 3.199 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cn2ccc(C)cc2n1 ZINC001209208047 813968729 /nfs/dbraw/zinc/96/87/29/813968729.db2.gz JOZVVYSOGPSRGX-UHFFFAOYSA-N 1 1 257.381 3.431 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@@H](CC(=O)OCC)[C@@H](C)C1 ZINC001209208660 813968924 /nfs/dbraw/zinc/96/89/24/813968924.db2.gz WUPNVXAOLUZDDM-GJZGRUSLSA-N 1 1 267.413 3.254 20 30 CGEDMO C#CCCC[N@H+](C)[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC001209267896 813988995 /nfs/dbraw/zinc/98/89/95/813988995.db2.gz NUIHLXZIDTUJSM-KRWDZBQOSA-N 1 1 294.439 3.121 20 30 CGEDMO C#CCCC[N@@H+]1CCCC[C@H]1[C@@H](C(=O)OC)c1ccccc1 ZINC001209269982 813990021 /nfs/dbraw/zinc/99/00/21/813990021.db2.gz SSCHCPXMTBYZRY-ROUUACIJSA-N 1 1 299.414 3.211 20 30 CGEDMO N#Cc1ccc2c(c1)CC[N@H+](CC1Cc3ccccc3C1)C2 ZINC001209319799 813998006 /nfs/dbraw/zinc/99/80/06/813998006.db2.gz OVBDDXWQJQZSEJ-UHFFFAOYSA-N 1 1 288.394 3.331 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)C2CCCCC2)C1 ZINC001209380847 814006717 /nfs/dbraw/zinc/00/67/17/814006717.db2.gz OIWVRTLLPDPVPI-ZMSDIMECSA-N 1 1 292.467 3.215 20 30 CGEDMO C[C@H]1CC(C[N@@H+](CCC#N)C2CCCC2)C[C@H](C)O1 ZINC001209386528 814009509 /nfs/dbraw/zinc/00/95/09/814009509.db2.gz DPFBOIAIPGCQMJ-KBPBESRZSA-N 1 1 264.413 3.348 20 30 CGEDMO COC1CCC(C[N@@H+](C)Cc2cccc(C#N)c2)CC1 ZINC001209400951 814014156 /nfs/dbraw/zinc/01/41/56/814014156.db2.gz FDQSLNBSGJBHPJ-UHFFFAOYSA-N 1 1 272.392 3.195 20 30 CGEDMO C=CCCCCC[N@H+]1CCC[C@@]2(CCN(CC=C)C2=O)C1 ZINC001209422903 814026230 /nfs/dbraw/zinc/02/62/30/814026230.db2.gz KCVKJDSDEMGKKA-GOSISDBHSA-N 1 1 290.451 3.233 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001209423162 814026387 /nfs/dbraw/zinc/02/63/87/814026387.db2.gz HFNQARNPOQJYBB-RYUDHWBXSA-N 1 1 283.309 3.070 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001209423162 814026396 /nfs/dbraw/zinc/02/63/96/814026396.db2.gz HFNQARNPOQJYBB-RYUDHWBXSA-N 1 1 283.309 3.070 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](C)[C@](O)(C(F)(F)F)C1 ZINC001209423167 814026661 /nfs/dbraw/zinc/02/66/61/814026661.db2.gz HKFYPVWMLXPDTE-OLZOCXBDSA-N 1 1 279.346 3.368 20 30 CGEDMO C=CCCCCCN1CCC([N@@H+](CC)[C@H]2CCOC2)CC1 ZINC001209428514 814030122 /nfs/dbraw/zinc/03/01/22/814030122.db2.gz IZOWFCAHIOCYKO-SFHVURJKSA-N 1 1 294.483 3.308 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@H](N2Cc3ccccc3C2=O)C1 ZINC001209432864 814033369 /nfs/dbraw/zinc/03/33/69/814033369.db2.gz LLGUVVKTAXVCDC-KRWDZBQOSA-N 1 1 298.430 3.463 20 30 CGEDMO C=CCCCCCC[N@@H+]1CC[C@H](CCC(=O)OC)C1 ZINC001209436475 814036275 /nfs/dbraw/zinc/03/62/75/814036275.db2.gz RSSNRTWKKDQGQN-HNNXBMFYSA-N 1 1 267.413 3.398 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CCc2nccn2CC1 ZINC001209441124 814040844 /nfs/dbraw/zinc/04/08/44/814040844.db2.gz FFCVMPCJSCCDDM-UHFFFAOYSA-N 1 1 261.413 3.268 20 30 CGEDMO C=CCCCCCC[N@H+]1CCOC2(CCOCC2)C1 ZINC001209440366 814042039 /nfs/dbraw/zinc/04/20/39/814042039.db2.gz IWCCNJACQUWBOJ-UHFFFAOYSA-N 1 1 267.413 3.004 20 30 CGEDMO Cn1nc2ccccc2c1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC001209536774 814076591 /nfs/dbraw/zinc/07/65/91/814076591.db2.gz MBEDQONZUZRETA-UHFFFAOYSA-N 1 1 290.370 3.077 20 30 CGEDMO Cc1cc(Cl)ncc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001209637459 814103869 /nfs/dbraw/zinc/10/38/69/814103869.db2.gz YDHABVNNQMWTFS-GFCCVEGCSA-N 1 1 263.772 3.169 20 30 CGEDMO Cc1cc(Cl)ncc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001209637459 814103874 /nfs/dbraw/zinc/10/38/74/814103874.db2.gz YDHABVNNQMWTFS-GFCCVEGCSA-N 1 1 263.772 3.169 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[C@@H](C)CC)C1 ZINC001209697992 814115205 /nfs/dbraw/zinc/11/52/05/814115205.db2.gz LZQFXALHXHFJFL-ARFHVFGLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(CC)(CC)CC)C1 ZINC001209769633 814136163 /nfs/dbraw/zinc/13/61/63/814136163.db2.gz QDYDEUOJFGYTLD-HUUCEWRRSA-N 1 1 280.456 3.215 20 30 CGEDMO Cc1cc(C#N)cc(C#N)c1Nc1ccc2[nH]c[nH+]c2c1 ZINC001209848621 814167583 /nfs/dbraw/zinc/16/75/83/814167583.db2.gz NMHRCSGZFJWRJG-UHFFFAOYSA-N 1 1 273.299 3.358 20 30 CGEDMO C#Cc1ccc(Nc2ccc3[nH]c[nH+]c3c2)cc1F ZINC001209849837 814170840 /nfs/dbraw/zinc/17/08/40/814170840.db2.gz DODHDWNDOWZDQC-UHFFFAOYSA-N 1 1 251.264 3.427 20 30 CGEDMO C#Cc1ccc(Nc2ccc3c(c2)C[N@@H+](C)CC3)cc1 ZINC001210118864 814297205 /nfs/dbraw/zinc/29/72/05/814297205.db2.gz MFVHRLOJFAEQLW-UHFFFAOYSA-N 1 1 262.356 3.399 20 30 CGEDMO COc1cccc(Nc2c(C)[nH+]c3ccccn32)c1C#N ZINC001210120975 814298752 /nfs/dbraw/zinc/29/87/52/814298752.db2.gz SERAHQQWRVUMNV-UHFFFAOYSA-N 1 1 278.315 3.267 20 30 CGEDMO C[C@H]1CC(=O)C=C(c2ccc3c(c2)C[N@H+](C)CC3)C1 ZINC001242742933 823118983 /nfs/dbraw/zinc/11/89/83/823118983.db2.gz DRGYLOOACWMECP-GFCCVEGCSA-N 1 1 255.361 3.057 20 30 CGEDMO Cc1ccc(Nc2sc3c(c2C#N)CC[N@@H+](C)C3)nc1 ZINC001211006449 814704390 /nfs/dbraw/zinc/70/43/90/814704390.db2.gz VBFGTUKFTCPBDQ-UHFFFAOYSA-N 1 1 284.388 3.055 20 30 CGEDMO Cc1ccc(Nc2sc3c(c2C#N)CC[N@H+](C)C3)nc1 ZINC001211006449 814704392 /nfs/dbraw/zinc/70/43/92/814704392.db2.gz VBFGTUKFTCPBDQ-UHFFFAOYSA-N 1 1 284.388 3.055 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)CC(C)(C)C)C1 ZINC001211224165 814855571 /nfs/dbraw/zinc/85/55/71/814855571.db2.gz MFWVTJKVNJAXLZ-ZIAGYGMSSA-N 1 1 280.456 3.071 20 30 CGEDMO CCc1cc(Nc2cc[nH+]c(NC(C)=O)c2)ccc1C#N ZINC001216316415 815778805 /nfs/dbraw/zinc/77/88/05/815778805.db2.gz RERMFUCAYBPULG-UHFFFAOYSA-N 1 1 280.331 3.218 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C(CC)CC)[C@@H]2C1 ZINC001221282829 816309395 /nfs/dbraw/zinc/30/93/95/816309395.db2.gz LOCCQPMDPGKZGM-DJIMGWMZSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@H]2CN(C(=O)CCC=C)[C@@H]2C1 ZINC001221429066 816313266 /nfs/dbraw/zinc/31/32/66/816313266.db2.gz GJIRKWKPQPYXCG-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C=C(CC)CC)[C@@H]2C1 ZINC001221481944 816316710 /nfs/dbraw/zinc/31/67/10/816316710.db2.gz OVBQKGKYYTZEJY-IAGOWNOFSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)CC(=C)C)[C@@H]2C1 ZINC001221760262 816326276 /nfs/dbraw/zinc/32/62/76/816326276.db2.gz ALVQZTONGZCLQK-BRWVUGGUSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@](C)(C=C)CC)[C@@H]2C1 ZINC001221790387 816328524 /nfs/dbraw/zinc/32/85/24/816328524.db2.gz MWRWVJGQWOXLGZ-JFIYKMOQSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCC(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC=C(C)C)C[C@H]21 ZINC001221837831 816329875 /nfs/dbraw/zinc/32/98/75/816329875.db2.gz GUANXNLMYHNREP-HZPDHXFCSA-N 1 1 290.451 3.088 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@@H](C)CC)[C@@H]2C1 ZINC001221889407 816333078 /nfs/dbraw/zinc/33/30/78/816333078.db2.gz CHMDAMCZPPRYPL-GVDBMIGSSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)/C=C\C(C)(C)C)CC1 ZINC001222646736 816489967 /nfs/dbraw/zinc/48/99/67/816489967.db2.gz MMFLTFPZWSDSHV-YVMONPNESA-N 1 1 298.858 3.169 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)CC(C)(C)CC)C[C@@H]21 ZINC001222768473 816514811 /nfs/dbraw/zinc/51/48/11/816514811.db2.gz XKFDHPOWEBVEHI-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H](OCc2ccc(C#N)s2)C1 ZINC001223287601 816598596 /nfs/dbraw/zinc/59/85/96/816598596.db2.gz BAEMZGRUWORQEZ-LBPRGKRZSA-N 1 1 264.394 3.009 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CC[C@H]2CC[N@H+](CCCC)[C@H]2C1 ZINC001223345048 816610521 /nfs/dbraw/zinc/61/05/21/816610521.db2.gz VJGHDUTWGVZAOG-BBWFWOEESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCOc1ccccc1CO[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001223785948 816682988 /nfs/dbraw/zinc/68/29/88/816682988.db2.gz RBCSJDBZIVJXEV-BJWYYQGGSA-N 1 1 287.403 3.393 20 30 CGEDMO C=C(C)CCCO[C@H]1COCC[N@@H+](Cc2ccccc2)C1 ZINC001224280600 816766111 /nfs/dbraw/zinc/76/61/11/816766111.db2.gz BIOFAWPOTZDZLK-GOSISDBHSA-N 1 1 289.419 3.260 20 30 CGEDMO C=C[C@]1(C)CC[C@@H](C(C)(C)OC[C@@H]2CCCC[N@@H+]2C)O1 ZINC001224701109 816856980 /nfs/dbraw/zinc/85/69/80/816856980.db2.gz CTSRYRGMNPJEGM-YQQAZPJKSA-N 1 1 281.440 3.390 20 30 CGEDMO C[N@H+]1CCCC[C@H]1CO[C@@H](CC#N)c1ccccc1 ZINC001224704690 816860533 /nfs/dbraw/zinc/86/05/33/816860533.db2.gz CCSOQUCQQQFXCL-HOTGVXAUSA-N 1 1 258.365 3.142 20 30 CGEDMO Cc1ccc(N2CCC(Oc3ccc(C#N)cc3)CC2)[nH+]c1 ZINC001225247345 816978713 /nfs/dbraw/zinc/97/87/13/816978713.db2.gz KRHDLFAQBSSMEK-UHFFFAOYSA-N 1 1 293.370 3.310 20 30 CGEDMO C=CCCCCCCN1CCC2(CCC[NH2+]2)CC1 ZINC001226784834 817463450 /nfs/dbraw/zinc/46/34/50/817463450.db2.gz OSCQUOVWNCUSCQ-UHFFFAOYSA-N 1 1 250.430 3.341 20 30 CGEDMO N#Cc1ccc(OC2CC[NH+](CCF)CC2)cc1Cl ZINC001227204118 817589797 /nfs/dbraw/zinc/58/97/97/817589797.db2.gz HDSKBPJFKZQPBN-UHFFFAOYSA-N 1 1 282.746 3.024 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H](Oc2ccc(C#N)c(Cl)c2)C1 ZINC001227209825 817592961 /nfs/dbraw/zinc/59/29/61/817592961.db2.gz SUFISSBJERGPQQ-AWEZNQCLSA-N 1 1 278.783 3.463 20 30 CGEDMO Cc1nc(O[C@@H]2CCC[N@H+](C)CC2)c(C#N)c(C)c1Cl ZINC001227828535 817728527 /nfs/dbraw/zinc/72/85/27/817728527.db2.gz RFBILHXPVKUVJL-GFCCVEGCSA-N 1 1 293.798 3.087 20 30 CGEDMO Cc1nc(O[C@H]2CCC[N@H+](C)CC2)c(C#N)c(C)c1Cl ZINC001227828539 817728916 /nfs/dbraw/zinc/72/89/16/817728916.db2.gz RFBILHXPVKUVJL-LBPRGKRZSA-N 1 1 293.798 3.087 20 30 CGEDMO C=CCc1ccc(O[C@@H]2CC[N@H+](C(C)C)C2)c(OC)c1 ZINC001227927433 817756671 /nfs/dbraw/zinc/75/66/71/817756671.db2.gz ZBRWCUUYKXORJQ-OAHLLOKOSA-N 1 1 275.392 3.285 20 30 CGEDMO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1C[C@H](C)CC(C)C ZINC001231169504 818050163 /nfs/dbraw/zinc/05/01/63/818050163.db2.gz HVQYKTCZZRDNKT-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO CCCCCCC[N@@H+](C)CCCNC(=O)C(C)(F)F ZINC001231177445 818053125 /nfs/dbraw/zinc/05/31/25/818053125.db2.gz WNBFGCDGPCOWLJ-UHFFFAOYSA-N 1 1 278.387 3.050 20 30 CGEDMO CCC[N@H+](CCC#N)Cc1ccc(OCCCOC)cc1 ZINC001231506191 818115625 /nfs/dbraw/zinc/11/56/25/818115625.db2.gz ZUFOHMNSTSUCNK-UHFFFAOYSA-N 1 1 290.407 3.228 20 30 CGEDMO CCC[N@@H+](CCC#N)Cc1ccc(OCCCOC)cc1 ZINC001231506191 818115633 /nfs/dbraw/zinc/11/56/33/818115633.db2.gz ZUFOHMNSTSUCNK-UHFFFAOYSA-N 1 1 290.407 3.228 20 30 CGEDMO C=CCOc1cccc(C[N@H+](CC)C2CCOCC2)c1 ZINC001231623732 818139533 /nfs/dbraw/zinc/13/95/33/818139533.db2.gz SGDKNJCHINEHOB-UHFFFAOYSA-N 1 1 275.392 3.252 20 30 CGEDMO C=CCOc1cccc(C[N@H+](C)Cc2cncs2)c1 ZINC001231624108 818139584 /nfs/dbraw/zinc/13/95/84/818139584.db2.gz HCNMRWPUUOCCKV-UHFFFAOYSA-N 1 1 274.389 3.340 20 30 CGEDMO C=CCOc1cccc(C[N@@H+](C)Cc2cncs2)c1 ZINC001231624108 818139590 /nfs/dbraw/zinc/13/95/90/818139590.db2.gz HCNMRWPUUOCCKV-UHFFFAOYSA-N 1 1 274.389 3.340 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)c1 ZINC001231658894 818149778 /nfs/dbraw/zinc/14/97/78/818149778.db2.gz ARMOZKOJJZPHOP-LJQANCHMSA-N 1 1 295.357 3.460 20 30 CGEDMO C#Cc1cccc(C[N@H+](C)Cc2cccc(O)c2)c1 ZINC001231655738 818150866 /nfs/dbraw/zinc/15/08/66/818150866.db2.gz BVUUIVPNGGGAJW-UHFFFAOYSA-N 1 1 251.329 3.006 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CCN(C)[C@H](c3ccccc3)C2)c1 ZINC001231659947 818151985 /nfs/dbraw/zinc/15/19/85/818151985.db2.gz XPTOOQXXQZKEJO-FQEVSTJZSA-N 1 1 290.410 3.157 20 30 CGEDMO C#Cc1cccc(CN2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1 ZINC001231659947 818151988 /nfs/dbraw/zinc/15/19/88/818151988.db2.gz XPTOOQXXQZKEJO-FQEVSTJZSA-N 1 1 290.410 3.157 20 30 CGEDMO C#Cc1cccc(CN2CC[N@H+](C)[C@H](c3ccccc3)C2)c1 ZINC001231659947 818151993 /nfs/dbraw/zinc/15/19/93/818151993.db2.gz XPTOOQXXQZKEJO-FQEVSTJZSA-N 1 1 290.410 3.157 20 30 CGEDMO C#Cc1cccc(C[N@H+](C)Cc2ccc(OC)c(OC)c2)c1 ZINC001231659599 818152128 /nfs/dbraw/zinc/15/21/28/818152128.db2.gz PMISQDBMYGFPSO-UHFFFAOYSA-N 1 1 295.382 3.317 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2c(Cl)cc(OC)cc2OC)C1 ZINC001231699794 818157982 /nfs/dbraw/zinc/15/79/82/818157982.db2.gz QUSFKGSHGMYUJU-LBPRGKRZSA-N 1 1 293.794 3.202 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2c(Cl)cc(OC)cc2OC)C1 ZINC001231699794 818157986 /nfs/dbraw/zinc/15/79/86/818157986.db2.gz QUSFKGSHGMYUJU-LBPRGKRZSA-N 1 1 293.794 3.202 20 30 CGEDMO CSc1ccccc1C[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001231781585 818172659 /nfs/dbraw/zinc/17/26/59/818172659.db2.gz AGJGWANAIYQKBT-CQSZACIVSA-N 1 1 291.441 3.183 20 30 CGEDMO CSc1ccccc1C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001231781585 818172661 /nfs/dbraw/zinc/17/26/61/818172661.db2.gz AGJGWANAIYQKBT-CQSZACIVSA-N 1 1 291.441 3.183 20 30 CGEDMO C=CC[NH+](CC=C)Cc1ncc(Br)cc1C ZINC001232048975 818241364 /nfs/dbraw/zinc/24/13/64/818241364.db2.gz PHPIOLGEUWPCHQ-UHFFFAOYSA-N 1 1 281.197 3.327 20 30 CGEDMO C#CC[N@@H+](C)Cc1ccc2cc(Br)ccc2n1 ZINC001232106563 818256487 /nfs/dbraw/zinc/25/64/87/818256487.db2.gz YAGLHGBIMUZCOW-UHFFFAOYSA-N 1 1 289.176 3.062 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc2cc(Br)ccc2n1 ZINC001232106563 818256492 /nfs/dbraw/zinc/25/64/92/818256492.db2.gz YAGLHGBIMUZCOW-UHFFFAOYSA-N 1 1 289.176 3.062 20 30 CGEDMO COc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001232501199 818374512 /nfs/dbraw/zinc/37/45/12/818374512.db2.gz LRQKWWAZRJZRHH-GFCCVEGCSA-N 1 1 278.783 3.474 20 30 CGEDMO COc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001232501199 818374518 /nfs/dbraw/zinc/37/45/18/818374518.db2.gz LRQKWWAZRJZRHH-GFCCVEGCSA-N 1 1 278.783 3.474 20 30 CGEDMO CCOCC1CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC001232609868 818394272 /nfs/dbraw/zinc/39/42/72/818394272.db2.gz XWJTZCXFJQEGCZ-UHFFFAOYSA-N 1 1 292.810 3.460 20 30 CGEDMO C[N@@H+](Cc1cc(C#N)ccc1[O-])Cc1cccc(F)c1F ZINC001232678355 818416762 /nfs/dbraw/zinc/41/67/62/818416762.db2.gz WIXADJMETKMLIX-UHFFFAOYSA-N 1 1 288.297 3.174 20 30 CGEDMO CN(Cc1cc(C#N)ccc1[O-])Cc1cccc(F)c1F ZINC001232678355 818416767 /nfs/dbraw/zinc/41/67/67/818416767.db2.gz WIXADJMETKMLIX-UHFFFAOYSA-N 1 1 288.297 3.174 20 30 CGEDMO Cc1cc(C[NH+]2CCC(C)(C#N)CC2)c(F)cc1F ZINC001232785991 818440604 /nfs/dbraw/zinc/44/06/04/818440604.db2.gz FROOIUIIMHJUOD-UHFFFAOYSA-N 1 1 264.319 3.399 20 30 CGEDMO C[C@]1(F)CCC[N@H+](Cc2cc(F)ccc2C#N)CC1 ZINC001232888957 818465012 /nfs/dbraw/zinc/46/50/12/818465012.db2.gz VPNKFYFRGVTOKT-HNNXBMFYSA-N 1 1 264.319 3.411 20 30 CGEDMO C[C@]1(F)CCC[N@@H+](Cc2cc(F)ccc2C#N)CC1 ZINC001232888957 818465013 /nfs/dbraw/zinc/46/50/13/818465013.db2.gz VPNKFYFRGVTOKT-HNNXBMFYSA-N 1 1 264.319 3.411 20 30 CGEDMO CC(C)[N@@H+](CCCCCO)Cc1cc(F)ccc1C#N ZINC001232892887 818467129 /nfs/dbraw/zinc/46/71/29/818467129.db2.gz ATAKNLGRHQAZFR-UHFFFAOYSA-N 1 1 278.371 3.070 20 30 CGEDMO CO[C@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(C)cc3C#N)C[C@@H]21 ZINC001232966093 818485224 /nfs/dbraw/zinc/48/52/24/818485224.db2.gz LOERXMZMDZVCCY-NJAFHUGGSA-N 1 1 284.403 3.114 20 30 CGEDMO CCC[N@H+](Cc1[nH]ccc1C#N)Cc1ccccc1 ZINC001233045292 818507730 /nfs/dbraw/zinc/50/77/30/818507730.db2.gz SCUHSCSDMAKVJC-UHFFFAOYSA-N 1 1 253.349 3.299 20 30 CGEDMO CCC[N@@H+](Cc1[nH]ccc1C#N)Cc1ccccc1 ZINC001233045292 818507734 /nfs/dbraw/zinc/50/77/34/818507734.db2.gz SCUHSCSDMAKVJC-UHFFFAOYSA-N 1 1 253.349 3.299 20 30 CGEDMO CCC[N@H+](Cc1ccc(N(C)C)c(C#N)c1F)CC1CC1 ZINC001233096528 818520434 /nfs/dbraw/zinc/52/04/34/818520434.db2.gz HWKQCMUNYODVFX-UHFFFAOYSA-N 1 1 289.398 3.385 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@@H+](C)C[C@@H]1Cc2ccccc2O1 ZINC001233084385 818520786 /nfs/dbraw/zinc/52/07/86/818520786.db2.gz UAGJUKZUUWQRAU-SFHVURJKSA-N 1 1 292.382 3.302 20 30 CGEDMO CN(C)c1ccc(C[N@H+]2CCC3(CCC3)C2)c(F)c1C#N ZINC001233101598 818521826 /nfs/dbraw/zinc/52/18/26/818521826.db2.gz AOMPTMFMHPFKCC-UHFFFAOYSA-N 1 1 287.382 3.139 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(N)cc1Cl ZINC001233376026 818602055 /nfs/dbraw/zinc/60/20/55/818602055.db2.gz MTZRMXIYZNJGQL-UHFFFAOYSA-N 1 1 285.778 3.426 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(N)cc1Cl ZINC001233376026 818602058 /nfs/dbraw/zinc/60/20/58/818602058.db2.gz MTZRMXIYZNJGQL-UHFFFAOYSA-N 1 1 285.778 3.426 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c([O-])c1 ZINC001233386768 818606420 /nfs/dbraw/zinc/60/64/20/818606420.db2.gz IDFMHYMQCIXBEY-ZFWWWQNUSA-N 1 1 256.349 3.028 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c(O)c1 ZINC001233386768 818606427 /nfs/dbraw/zinc/60/64/27/818606427.db2.gz IDFMHYMQCIXBEY-ZFWWWQNUSA-N 1 1 256.349 3.028 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c(O)c1 ZINC001233386768 818606431 /nfs/dbraw/zinc/60/64/31/818606431.db2.gz IDFMHYMQCIXBEY-ZFWWWQNUSA-N 1 1 256.349 3.028 20 30 CGEDMO C[N@@H+](CCc1cccc(F)c1)Cc1ccc(C#N)cc1[O-] ZINC001233387432 818606475 /nfs/dbraw/zinc/60/64/75/818606475.db2.gz JDYDEOVRTDFAAB-UHFFFAOYSA-N 1 1 284.334 3.077 20 30 CGEDMO C[N@H+](CCc1cccc(F)c1)Cc1ccc(C#N)cc1O ZINC001233387432 818606479 /nfs/dbraw/zinc/60/64/79/818606479.db2.gz JDYDEOVRTDFAAB-UHFFFAOYSA-N 1 1 284.334 3.077 20 30 CGEDMO C[N@@H+](CCc1cccc(F)c1)Cc1ccc(C#N)cc1O ZINC001233387432 818606484 /nfs/dbraw/zinc/60/64/84/818606484.db2.gz JDYDEOVRTDFAAB-UHFFFAOYSA-N 1 1 284.334 3.077 20 30 CGEDMO C[C@@]1(C#N)CC[N@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233455543 818624249 /nfs/dbraw/zinc/62/42/49/818624249.db2.gz PCZTYHAKBCHQQU-ZDUSSCGKSA-N 1 1 284.281 3.147 20 30 CGEDMO C[C@@]1(C#N)CC[N@@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233455543 818624253 /nfs/dbraw/zinc/62/42/53/818624253.db2.gz PCZTYHAKBCHQQU-ZDUSSCGKSA-N 1 1 284.281 3.147 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cnnn1Cc1ccccc1 ZINC001233463915 818625621 /nfs/dbraw/zinc/62/56/21/818625621.db2.gz LIMWHLVIGUNHSR-UHFFFAOYSA-N 1 1 284.407 3.115 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)c1ccc(Cl)o1 ZINC001233952463 818737610 /nfs/dbraw/zinc/73/76/10/818737610.db2.gz BRSLUCUWVPGSCV-GFCCVEGCSA-N 1 1 298.814 3.339 20 30 CGEDMO CC(=NO)c1ccc(O[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC001234084289 818776245 /nfs/dbraw/zinc/77/62/45/818776245.db2.gz WTKHEMHAXJSTPL-INIZCTEOSA-N 1 1 276.380 3.136 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)=C1CCC1 ZINC001234152295 818793767 /nfs/dbraw/zinc/79/37/67/818793767.db2.gz UZXPBVWDTNISIU-RHSMWYFYSA-N 1 1 290.451 3.374 20 30 CGEDMO C[C@@H](C#C[Si](C)(C)C)Oc1cccc2c1CC[N@@H+](C)C2 ZINC001234424047 818851377 /nfs/dbraw/zinc/85/13/77/818851377.db2.gz NZYBPTWRMAQZGL-AWEZNQCLSA-N 1 1 287.479 3.323 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC[C@H](C)CCC ZINC001234546427 818881681 /nfs/dbraw/zinc/88/16/81/818881681.db2.gz LITBRAFCRWXLMF-HZPDHXFCSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@H+]1CCCC1CCC1 ZINC001234614757 818892400 /nfs/dbraw/zinc/89/24/00/818892400.db2.gz UYPUNARGTUTVFY-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO CCCCCCCCCCCN1CCN[C@]2(CC[NH2+]C2)C1 ZINC001235052433 818991507 /nfs/dbraw/zinc/99/15/07/818991507.db2.gz FMSNONBOVUZORX-SFHVURJKSA-N 1 1 295.515 3.155 20 30 CGEDMO C=CCCC(=O)NCCC[N@H+](C)Cc1ccccc1CC ZINC001235437181 819100348 /nfs/dbraw/zinc/10/03/48/819100348.db2.gz VCEUZHDDEDUZMW-UHFFFAOYSA-N 1 1 288.435 3.153 20 30 CGEDMO C=CCCC(=O)NCCC[N@H+](C)CC1CCCCCC1 ZINC001235451507 819102514 /nfs/dbraw/zinc/10/25/14/819102514.db2.gz LDBCRTRPYKEVSS-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C=CCCC(=O)NCCC[N@H+](C)CCC1CCCCC1 ZINC001235451036 819102705 /nfs/dbraw/zinc/10/27/05/819102705.db2.gz AOOJAXCBPYNGCB-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C[C@@H]1CC[N@H+](Cc2c(F)cc(C#N)cc2F)[C@H](C)C1 ZINC001235659246 819130888 /nfs/dbraw/zinc/13/08/88/819130888.db2.gz UDJDROWLRFAAGK-GHMZBOCLSA-N 1 1 264.319 3.457 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2c(F)cc(C#N)cc2F)[C@H](C)C1 ZINC001235659246 819130890 /nfs/dbraw/zinc/13/08/90/819130890.db2.gz UDJDROWLRFAAGK-GHMZBOCLSA-N 1 1 264.319 3.457 20 30 CGEDMO C=CC[N@@H+](Cc1nc2cc(F)ccc2[nH]1)C(C)(C)C ZINC001235701732 819146997 /nfs/dbraw/zinc/14/69/97/819146997.db2.gz RQVPYDKNCPQOEY-UHFFFAOYSA-N 1 1 261.344 3.489 20 30 CGEDMO CCCCCCCOc1ccc(C[N@@H+](C)CCO)cc1 ZINC001236253088 819406126 /nfs/dbraw/zinc/40/61/26/819406126.db2.gz DKHWGKWEVGHQFO-UHFFFAOYSA-N 1 1 279.424 3.460 20 30 CGEDMO COc1ccc(C#N)cc1-c1ccc2c(c1)C[N@H+](C)CC2 ZINC001236544792 819531053 /nfs/dbraw/zinc/53/10/53/819531053.db2.gz ALEDCILOUVEMKZ-UHFFFAOYSA-N 1 1 278.355 3.222 20 30 CGEDMO C#CC[N@H+](C)Cc1ccc(NC(=O)OC(C)(C)C)c(F)c1 ZINC001237039120 819648944 /nfs/dbraw/zinc/64/89/44/819648944.db2.gz OSOZLFGLVOAIEZ-UHFFFAOYSA-N 1 1 292.354 3.238 20 30 CGEDMO Cn1cc(C[N@H+]2CCC[C@](C)(F)C2)c2cc(C#N)ccc21 ZINC001237466273 819756890 /nfs/dbraw/zinc/75/68/90/819756890.db2.gz LXSVXOKOYBGFEZ-KRWDZBQOSA-N 1 1 285.366 3.374 20 30 CGEDMO Cn1cc(C[N@H+]2CC[C@](C)(CF)C2)c2cc(C#N)ccc21 ZINC001237466985 819758231 /nfs/dbraw/zinc/75/82/31/819758231.db2.gz PUYNQHMHPJHHQM-QGZVFWFLSA-N 1 1 285.366 3.231 20 30 CGEDMO CC1CC([N@@H+](C)Cc2cn(C)c3ccc(C#N)cc23)C1 ZINC001237467329 819759289 /nfs/dbraw/zinc/75/92/89/819759289.db2.gz UDGRWETVSFXOKM-UHFFFAOYSA-N 1 1 267.376 3.280 20 30 CGEDMO COC(C)(C)[C@H]1CCC[N@H+]1Cc1cc(C#N)c(F)cc1F ZINC001237526333 819771776 /nfs/dbraw/zinc/77/17/76/819771776.db2.gz AYPLOLGVAJSDLB-OAHLLOKOSA-N 1 1 294.345 3.226 20 30 CGEDMO N#Cc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c(F)cc1F ZINC001237526561 819772307 /nfs/dbraw/zinc/77/23/07/819772307.db2.gz GKXVLPBFQGNRME-PHIMTYICSA-N 1 1 262.303 3.068 20 30 CGEDMO N#Cc1cc(C[NH+]2CCC(CF)CC2)c(F)cc1F ZINC001237534050 819774301 /nfs/dbraw/zinc/77/43/01/819774301.db2.gz MSOPRBIIWBFWAJ-UHFFFAOYSA-N 1 1 268.282 3.018 20 30 CGEDMO COc1ccc(C)c(C[N@H+]2CCC[C@H](C#N)CC2)c1 ZINC001237709398 819814079 /nfs/dbraw/zinc/81/40/79/819814079.db2.gz IDZIZLZXSWFMLL-AWEZNQCLSA-N 1 1 258.365 3.129 20 30 CGEDMO C#CC[N@@H+](C)Cc1cc(-c2cccc(Cl)c2)no1 ZINC001237775429 819840318 /nfs/dbraw/zinc/84/03/18/819840318.db2.gz XJWPQPIZVYTNSC-UHFFFAOYSA-N 1 1 260.724 3.060 20 30 CGEDMO C#CC[N@H+](C)Cc1cc(-c2cccc(Cl)c2)no1 ZINC001237775429 819840326 /nfs/dbraw/zinc/84/03/26/819840326.db2.gz XJWPQPIZVYTNSC-UHFFFAOYSA-N 1 1 260.724 3.060 20 30 CGEDMO CCOc1cc(F)cc(C[N@H+]2CCC[C@H](C#N)CC2)c1 ZINC001237918685 819880534 /nfs/dbraw/zinc/88/05/34/819880534.db2.gz AHDYHTYOZQWJBY-ZDUSSCGKSA-N 1 1 276.355 3.350 20 30 CGEDMO C#CC1CC[NH+](Cc2cc(F)c(Cl)cc2O)CC1 ZINC001237939888 819886969 /nfs/dbraw/zinc/88/69/69/819886969.db2.gz HLXLKMNQTQJIBA-UHFFFAOYSA-N 1 1 267.731 3.030 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)CC[C@@]1(C)O ZINC001238079588 819926457 /nfs/dbraw/zinc/92/64/57/819926457.db2.gz DMYFNVKNNQRVCU-MLGOLLRUSA-N 1 1 292.810 3.195 20 30 CGEDMO CC(C)[N@@H+](C)[C@H]1CCN(Cc2ccc(C#N)cc2Cl)C1 ZINC001238084859 819928449 /nfs/dbraw/zinc/92/84/49/819928449.db2.gz PSIBDTWGWZLLCP-HNNXBMFYSA-N 1 1 291.826 3.126 20 30 CGEDMO CC[N@@H+](Cc1ccc(Cl)c(C#N)c1)C1CCN(C)CC1 ZINC001238193651 819952643 /nfs/dbraw/zinc/95/26/43/819952643.db2.gz DZCJFDXOPTVABW-UHFFFAOYSA-N 1 1 291.826 3.128 20 30 CGEDMO CCN(Cc1ccc(Cl)c(C#N)c1)C1CC[NH+](C)CC1 ZINC001238193651 819952653 /nfs/dbraw/zinc/95/26/53/819952653.db2.gz DZCJFDXOPTVABW-UHFFFAOYSA-N 1 1 291.826 3.128 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@H](CF)C2)ccc1Cl ZINC001238194583 819952813 /nfs/dbraw/zinc/95/28/13/819952813.db2.gz QBLNEXVWMZEYCW-GFCCVEGCSA-N 1 1 266.747 3.393 20 30 CGEDMO COc1cc(C[N@H+]2CCC[C@](C)(F)CC2)ccc1C#N ZINC001238411007 819988258 /nfs/dbraw/zinc/98/82/58/819988258.db2.gz WYOFFJMRWDFZAU-INIZCTEOSA-N 1 1 276.355 3.281 20 30 CGEDMO COc1cc(C[N@H+]2CCc3ccc(C)cc3C2)ccc1C#N ZINC001238409635 819988453 /nfs/dbraw/zinc/98/84/53/819988453.db2.gz JBVFKNRVPGRQIG-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO COc1cc(C[N@@H+]2C[C@@H]3CC(F)(F)C[C@@H]3C2)ccc1C#N ZINC001238409112 819988729 /nfs/dbraw/zinc/98/87/29/819988729.db2.gz BYLOTPMWHPNPBA-OKILXGFUSA-N 1 1 292.329 3.044 20 30 CGEDMO CC(C)Oc1cncc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1 ZINC001238470982 820013885 /nfs/dbraw/zinc/01/38/85/820013885.db2.gz JESCKCSSKUBNPK-MKZZRHPPSA-N 1 1 285.391 3.135 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2OCC)C1 ZINC001238659171 820071138 /nfs/dbraw/zinc/07/11/38/820071138.db2.gz CXHRKWVQYMSRRY-LBPRGKRZSA-N 1 1 279.330 3.209 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(F)c(F)cc2OCC)C1 ZINC001238659171 820071145 /nfs/dbraw/zinc/07/11/45/820071145.db2.gz CXHRKWVQYMSRRY-LBPRGKRZSA-N 1 1 279.330 3.209 20 30 CGEDMO CCOc1cc(F)c(F)cc1C[NH+]1CCC(S)CC1 ZINC001238661848 820072934 /nfs/dbraw/zinc/07/29/34/820072934.db2.gz RZNZPBZVVMKRJU-UHFFFAOYSA-N 1 1 287.375 3.258 20 30 CGEDMO CSc1ncc(C)cc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001238716224 820100061 /nfs/dbraw/zinc/10/00/61/820100061.db2.gz HOIMFYCWJIFKFZ-CYBMUJFWSA-N 1 1 275.421 3.238 20 30 CGEDMO Cc1nc2ccc(-c3cc(C#N)cc(C4C[NH2+]C4)c3)cc2[nH]1 ZINC001240346005 820982187 /nfs/dbraw/zinc/98/21/87/820982187.db2.gz YBKIDJQRTVFNJF-UHFFFAOYSA-N 1 1 288.354 3.097 20 30 CGEDMO N#CCc1ncccc1C1=CCC[N@@H+](Cc2ccccc2)C1 ZINC001240387089 821011024 /nfs/dbraw/zinc/01/10/24/821011024.db2.gz MDSOCZYVKKLKEI-UHFFFAOYSA-N 1 1 289.382 3.437 20 30 CGEDMO C=C(C)c1nc(C[NH+](C)C)nc2sc(C)c(C)c21 ZINC001240832977 821360786 /nfs/dbraw/zinc/36/07/86/821360786.db2.gz NYAYKMULYHEINO-UHFFFAOYSA-N 1 1 261.394 3.403 20 30 CGEDMO C=C(C)c1ccc2nc([C@H]3[NH2+][C@@H]4CC[C@H]3C4)[nH]c2c1 ZINC001240837273 821362398 /nfs/dbraw/zinc/36/23/98/821362398.db2.gz BXMBNHWLNFTMGQ-ZOWXZIJZSA-N 1 1 253.349 3.409 20 30 CGEDMO COc1cc(C#N)ccc1-c1ccc2c(c1)CC[N@H+](C)C2 ZINC001241403522 821800230 /nfs/dbraw/zinc/80/02/30/821800230.db2.gz QYSXAOXPWOXIST-UHFFFAOYSA-N 1 1 278.355 3.222 20 30 CGEDMO COC(=[NH2+])c1cccc(C2=CC(=O)CC(C)(C)C2)c1 ZINC001242316779 822950034 /nfs/dbraw/zinc/95/00/34/822950034.db2.gz YRFSQARLNVJJMI-UHFFFAOYSA-N 1 1 257.333 3.431 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(-c2ccn(C)n2)cc1 ZINC001242461039 822999415 /nfs/dbraw/zinc/99/94/15/822999415.db2.gz OKCKWEUIINUDIJ-KRWDZBQOSA-N 1 1 267.376 3.410 20 30 CGEDMO C=CCn1cnn(C[N@H+]2CCC[C@@H](C)[C@H]2CCC)c1=S ZINC001339605880 936379511 /nfs/dbraw/zinc/37/95/11/936379511.db2.gz WDQFHDJSLNBIHO-ZIAGYGMSSA-N 1 1 294.468 3.458 20 30 CGEDMO C=CCn1cnn(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC)c1=S ZINC001339605880 936379516 /nfs/dbraw/zinc/37/95/16/936379516.db2.gz WDQFHDJSLNBIHO-ZIAGYGMSSA-N 1 1 294.468 3.458 20 30 CGEDMO N#CC1(CC(=O)O[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCCC1 ZINC001343478071 936503255 /nfs/dbraw/zinc/50/32/55/936503255.db2.gz NEDHOCVKLKGIJM-HUUCEWRRSA-N 1 1 290.407 3.021 20 30 CGEDMO CCC[N@H+]1CCCC[C@H]1C(=O)Nc1cc(C)cc(C#N)c1 ZINC001344517924 936536854 /nfs/dbraw/zinc/53/68/54/936536854.db2.gz LORQSBUMBUJYHM-INIZCTEOSA-N 1 1 285.391 3.070 20 30 CGEDMO CC#CC[N@@H+](C)Cc1cc(Br)c(C)s1 ZINC001474734284 937877750 /nfs/dbraw/zinc/87/77/50/937877750.db2.gz PLJPHBRQHRCRTE-UHFFFAOYSA-N 1 1 272.211 3.274 20 30 CGEDMO C=CC[C@H]([NH2+]C1CCC(CSC)CC1)C(=O)OCC ZINC001347793397 936896442 /nfs/dbraw/zinc/89/64/42/936896442.db2.gz YOQCVZAAOLPXHP-RUXDESIVSA-N 1 1 285.453 3.006 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C)CCC)C1 ZINC001479899314 936913370 /nfs/dbraw/zinc/91/33/70/936913370.db2.gz CGNYUCZFEHQPOC-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](CCCCC)C(C)C)C1 ZINC001479968061 936951498 /nfs/dbraw/zinc/95/14/98/936951498.db2.gz ZQFUFXUTESLRFG-DLBZAZTESA-N 1 1 292.467 3.053 20 30 CGEDMO COc1ccc(C[C@@H](C)[N@@H+](C)C[C@H](C)CCC#N)cc1 ZINC001349595659 936953648 /nfs/dbraw/zinc/95/36/48/936953648.db2.gz CLUAUPYMIXGJJI-HUUCEWRRSA-N 1 1 274.408 3.498 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC1CC1 ZINC001480092500 937021403 /nfs/dbraw/zinc/02/14/03/937021403.db2.gz VXPKSDWVAVFCIX-OIISXLGYSA-N 1 1 290.451 3.207 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc(CC(C)C)nc2)C1 ZINC001352015795 937031856 /nfs/dbraw/zinc/03/18/56/937031856.db2.gz JTXQYJYAPIVDGH-QGZVFWFLSA-N 1 1 274.408 3.057 20 30 CGEDMO CC#CC[N@H+](C)CCNC(=O)[C@H](CC)CC1CCCCC1 ZINC001480920546 926793780 /nfs/dbraw/zinc/79/37/80/926793780.db2.gz TWKMMPRXFNRNJV-QGZVFWFLSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001480977811 926851428 /nfs/dbraw/zinc/85/14/28/926851428.db2.gz KMVBPDVYPMOUQO-INIZCTEOSA-N 1 1 278.440 3.137 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)c1ccc(C2CC2)cc1 ZINC001481018308 926859815 /nfs/dbraw/zinc/85/98/15/926859815.db2.gz HZXYYJNRRBSMMI-UHFFFAOYSA-N 1 1 286.419 3.192 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)C1CCCC1 ZINC001481044503 926870542 /nfs/dbraw/zinc/87/05/42/926870542.db2.gz PYTWCZRIDVRPEF-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC1(C(=O)NC[C@H]2CCC[N@@H+]2CCC(C)C)CCC1 ZINC001481058067 926875869 /nfs/dbraw/zinc/87/58/69/926875869.db2.gz UZHVMARWVBELPL-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](CNC(=O)CCCCC(C)(C)C)C1 ZINC001481093132 926884237 /nfs/dbraw/zinc/88/42/37/926884237.db2.gz AQMBYQXJMPUIGG-MRXNPFEDSA-N 1 1 292.467 3.054 20 30 CGEDMO C=C(Cl)C[N@H+](CCCNC(=O)C1(C)CC(=C)C1)C(C)C ZINC001481355030 926967377 /nfs/dbraw/zinc/96/73/77/926967377.db2.gz RODSKRQQHCZTDC-UHFFFAOYSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)/C=C\C(C)(C)C)C1 ZINC001481482508 926999779 /nfs/dbraw/zinc/99/97/79/926999779.db2.gz QPYITSZJIGACLN-SLWQEBJJSA-N 1 1 292.467 3.335 20 30 CGEDMO C#CCC[N@H+](C)C[C@H]1CCN(C(=O)C(CCC)CCC)C1 ZINC001481499064 927003552 /nfs/dbraw/zinc/00/35/52/927003552.db2.gz VEPIWUAAUSIYDV-MRXNPFEDSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCCCC(=O)N1CCC(C[N@H+](C)CC[C@@H](C)F)CC1 ZINC001481518126 927012025 /nfs/dbraw/zinc/01/20/25/927012025.db2.gz HXGSAICEKKZBLW-OAHLLOKOSA-N 1 1 298.446 3.261 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CCC[N@H+](CC/C=C/CC)C1 ZINC001481535214 927018746 /nfs/dbraw/zinc/01/87/46/927018746.db2.gz RGNUETDHAQYTEK-JFDDCEBESA-N 1 1 278.440 3.280 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)/C=C(\C)CC)C1 ZINC001481557623 927025260 /nfs/dbraw/zinc/02/52/60/927025260.db2.gz WHRAFZLZRRGNMK-SDNWHVSQSA-N 1 1 266.429 3.114 20 30 CGEDMO C=CCC[C@H](C)[NH+]1CC(NC(=O)c2sccc2CC)C1 ZINC001481602932 927038379 /nfs/dbraw/zinc/03/83/79/927038379.db2.gz MMUAMHJSUFLYRH-LBPRGKRZSA-N 1 1 292.448 3.079 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C(CC(C)C)CC(C)C)C1 ZINC001481709792 927068760 /nfs/dbraw/zinc/06/87/60/927068760.db2.gz OZCJPCAQYSHBAZ-QGZVFWFLSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)CC(C)(C)C=C)C1 ZINC001481726299 927075597 /nfs/dbraw/zinc/07/55/97/927075597.db2.gz AZKFACDEUFKWQU-OAHLLOKOSA-N 1 1 278.440 3.088 20 30 CGEDMO CCC(CC)C[N@H+]1CC[C@H](N(CC)C(=O)C#CC(C)C)C1 ZINC001481766852 927084934 /nfs/dbraw/zinc/08/49/34/927084934.db2.gz RCVNGYLKSJWMHA-KRWDZBQOSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)CC(C)=C(C)C)C1 ZINC001481773374 927088828 /nfs/dbraw/zinc/08/88/28/927088828.db2.gz UMUCUBUSNHSFRB-INIZCTEOSA-N 1 1 278.440 3.232 20 30 CGEDMO CCCCCCCCCC(=O)Nc1cc2n(n1)CC[NH2+]C2 ZINC001355440393 937141104 /nfs/dbraw/zinc/14/11/04/937141104.db2.gz HCDNLNIXIBNREF-UHFFFAOYSA-N 1 1 292.427 3.066 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)CCN(C)C(=O)C1(CC)CCC1 ZINC001482619803 927330215 /nfs/dbraw/zinc/33/02/15/927330215.db2.gz FIFQCXLSORIAMU-OAHLLOKOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001482653811 927335953 /nfs/dbraw/zinc/33/59/53/927335953.db2.gz UPLVGJBBAVGLJJ-ZSHCYNCHSA-N 1 1 280.456 3.025 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)c1cc(C)c(F)c(C)c1 ZINC001482650660 927336716 /nfs/dbraw/zinc/33/67/16/927336716.db2.gz RCGBRVWJWPYKDP-UHFFFAOYSA-N 1 1 292.398 3.022 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)/C=C(/C)CC)CC[C@H]21 ZINC001482663640 927341331 /nfs/dbraw/zinc/34/13/31/927341331.db2.gz WSRWYKJLSUTRKU-HELSQHDTSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CC2CCCC2)C1 ZINC001482657277 927341465 /nfs/dbraw/zinc/34/14/65/927341465.db2.gz KZIZQTOCKSEZRX-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CCC3(C)CC3)CC[C@@H]21 ZINC001482667218 927345512 /nfs/dbraw/zinc/34/55/12/927345512.db2.gz RQRADFSCQMUYKF-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCOc1ccccc1OC1C[NH+](C(C)(C)C)C1 ZINC001229614695 927353575 /nfs/dbraw/zinc/35/35/75/927353575.db2.gz XEHWQRAUOLXVEX-UHFFFAOYSA-N 1 1 261.365 3.113 20 30 CGEDMO C=CC[N@@H+](C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)C(C)C ZINC001307435116 927532820 /nfs/dbraw/zinc/53/28/20/927532820.db2.gz IOFJQOTXXXRHET-HUUCEWRRSA-N 1 1 296.455 3.386 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)C[C@@H](C)CC(C)C ZINC001483694154 927578365 /nfs/dbraw/zinc/57/83/65/927578365.db2.gz KGUYLQYKTGMTTF-JKSUJKDBSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)C[C@@H](C)CC(C)C ZINC001483694148 927578826 /nfs/dbraw/zinc/57/88/26/927578826.db2.gz KGUYLQYKTGMTTF-HOTGVXAUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C[C@H](C(=O)NC[C@H]1CC[N@@H+]1CCC(=C)C)c1ccccc1 ZINC001483707834 927581080 /nfs/dbraw/zinc/58/10/80/927581080.db2.gz FXJZIOONPKNVKK-MSOLQXFVSA-N 1 1 298.430 3.113 20 30 CGEDMO C=CCCCC(=O)N1CCCC[C@@H]1[C@H]1CC[N@H+](CC)C1 ZINC001483801688 927624160 /nfs/dbraw/zinc/62/41/60/927624160.db2.gz KXNIWHYMWGDSIL-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CCC1 ZINC001483811374 927627129 /nfs/dbraw/zinc/62/71/29/927627129.db2.gz KJTIFTGZJSXVQH-CVEARBPZSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@]2(CCN(C(=O)C(C)C)C2)C1 ZINC001483827674 927631705 /nfs/dbraw/zinc/63/17/05/927631705.db2.gz AGBOOIMVMCJCNH-SJLPKXTDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@](C)(CNC(=O)c2ccco2)C1 ZINC001484149421 927683009 /nfs/dbraw/zinc/68/30/09/927683009.db2.gz BBIOOGRRAPSKBK-KRWDZBQOSA-N 1 1 290.407 3.078 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC)C2 ZINC001484384991 927700154 /nfs/dbraw/zinc/70/01/54/927700154.db2.gz FBVJOSRQHRYTNC-LVQVYYBASA-N 1 1 278.440 3.110 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)CCCCCC)C[C@H]2C1 ZINC001484414196 927702032 /nfs/dbraw/zinc/70/20/32/927702032.db2.gz CEIHLYCUCRTUIY-CALCHBBNSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)CCC(=C)C)C[C@H]2C1 ZINC001484409632 927702986 /nfs/dbraw/zinc/70/29/86/927702986.db2.gz UOMLCEIVINJHBO-YESZJQIVSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CCCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCCCCF ZINC001484451983 927706147 /nfs/dbraw/zinc/70/61/47/927706147.db2.gz CHCSPRPKMGKSRY-JKSUJKDBSA-N 1 1 296.430 3.158 20 30 CGEDMO C=C(C)C[N@@H+]1CCc2c(CNC(=O)/C(C)=C/C)cccc2C1 ZINC001484611487 927727570 /nfs/dbraw/zinc/72/75/70/927727570.db2.gz KCQMSUZUBFFUCZ-PJQLUOCWSA-N 1 1 298.430 3.203 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)CC(C)(C)C ZINC001484733086 927747853 /nfs/dbraw/zinc/74/78/53/927747853.db2.gz RMVXVCSQSFGTKF-UHFFFAOYSA-N 1 1 268.445 3.169 20 30 CGEDMO C=C(C)CC[N@H+](C)CCCN(C)C(=O)C(C)(C)C(C)C ZINC001484744535 927748428 /nfs/dbraw/zinc/74/84/28/927748428.db2.gz KLTSIHMJLUDYDO-UHFFFAOYSA-N 1 1 282.472 3.415 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@@H](C)[C@H](C)CC ZINC001484761437 927751982 /nfs/dbraw/zinc/75/19/82/927751982.db2.gz GDPAGGGBYFBXBI-CABCVRRESA-N 1 1 268.445 3.025 20 30 CGEDMO C=CCCC(=O)NC[C@@H]1Cc2ccccc2C[N@@H+]1CC(=C)C ZINC001484821811 927761686 /nfs/dbraw/zinc/76/16/86/927761686.db2.gz HRDLECXSZAHVTA-SFHVURJKSA-N 1 1 298.430 3.072 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1CC[N@H+](C(C)C)CC1(C)C ZINC001484938217 927772981 /nfs/dbraw/zinc/77/29/81/927772981.db2.gz XDMWYVOQCNWXMZ-PBHICJAKSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)CCC)C(C)(C)C1 ZINC001484930477 927774528 /nfs/dbraw/zinc/77/45/28/927774528.db2.gz MNUPNXKCGZILMX-CABCVRRESA-N 1 1 280.456 3.358 20 30 CGEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)CCCC(C)C)C(C)(C)C1 ZINC001484941347 927774917 /nfs/dbraw/zinc/77/49/17/927774917.db2.gz ZTMPSMMUPJOTIA-MRXNPFEDSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)/C=C(/C)CC)C[C@@H]1C ZINC001484972149 927778137 /nfs/dbraw/zinc/77/81/37/927778137.db2.gz KOSVCDNVQGGNMA-WPTSLCKYSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)/C=C/C(C)(C)C)C[C@@H]1C ZINC001484967915 927778748 /nfs/dbraw/zinc/77/87/48/927778748.db2.gz OFLZNOSFHGLFBF-LADOHOGBSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CC[N@H+](CC)CC1CCN(C(=O)[C@H](C)C(C)C)CC1 ZINC001485032824 927791511 /nfs/dbraw/zinc/79/15/11/927791511.db2.gz KQATUIGHZLWFDI-OAHLLOKOSA-N 1 1 280.456 3.025 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)CCC1CCCC1 ZINC001485047854 927794354 /nfs/dbraw/zinc/79/43/54/927794354.db2.gz QCUWJAYDIOJFFI-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]1C[N@H+](C)C[C@H](C)CC ZINC001485067107 927798184 /nfs/dbraw/zinc/79/81/84/927798184.db2.gz HRMZCNFXYZSVQY-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)C1CCCC1 ZINC001485484796 927883432 /nfs/dbraw/zinc/88/34/32/927883432.db2.gz LNRVXNUXLDWNKX-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)CC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCC)C[C@@H]2C1 ZINC001485655673 927895090 /nfs/dbraw/zinc/89/50/90/927895090.db2.gz WTRRGYJPWSKMEQ-HRCADAONSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCCCC[N@H+]1CCOc2ccccc2[C@H]1CO ZINC001473825439 937202090 /nfs/dbraw/zinc/20/20/90/937202090.db2.gz RLRZGBXXTMLDDQ-MRXNPFEDSA-N 1 1 275.392 3.161 20 30 CGEDMO C=CCCC[N@H+](C)C1CCN(C(=O)[C@H]2C[C@H]2C(C)C)CC1 ZINC001485765973 927918628 /nfs/dbraw/zinc/91/86/28/927918628.db2.gz TZEWNBWSLFXDBA-IRXDYDNUSA-N 1 1 292.467 3.168 20 30 CGEDMO C#CCCCC(=O)N1CC[C@@H](C[N@H+](C)CC(CC)CC)C1 ZINC001494125606 927987671 /nfs/dbraw/zinc/98/76/71/927987671.db2.gz PFCMZZGMZXSNNP-KRWDZBQOSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)C(CC)CC)CCC[C@H]12 ZINC001486139253 927990771 /nfs/dbraw/zinc/99/07/71/927990771.db2.gz HRTFNRYDBRHSNB-RDJZCZTQSA-N 1 1 278.440 3.112 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCC1 ZINC001494638015 928061767 /nfs/dbraw/zinc/06/17/67/928061767.db2.gz PFMALDQKRCSXAG-HOTGVXAUSA-N 1 1 278.440 3.042 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)C(CC)CC ZINC001230834679 928073050 /nfs/dbraw/zinc/07/30/50/928073050.db2.gz JWSKEAOAHMCIJJ-GOEBONIOSA-N 1 1 280.456 3.310 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)cc1 ZINC001144568417 928198476 /nfs/dbraw/zinc/19/84/76/928198476.db2.gz USVOHCRKVSLNNH-GASCZTMLSA-N 1 1 261.315 3.145 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(F)cc3)C2)cc1 ZINC001144573201 928200625 /nfs/dbraw/zinc/20/06/25/928200625.db2.gz DJGZTDFFUMYMGI-LJQANCHMSA-N 1 1 295.357 3.460 20 30 CGEDMO Cc1ccc2c(c1)C[C@@H]([N@H+]1CCC[C@H](C#N)C1)CC2 ZINC001172829813 928226031 /nfs/dbraw/zinc/22/60/31/928226031.db2.gz DKRGKQOWDWWYGV-PBHICJAKSA-N 1 1 254.377 3.088 20 30 CGEDMO C[C@]1(F)CC[N@H+](C2CCC(CC#N)CC2)C[C@@H]1F ZINC001173330898 928228041 /nfs/dbraw/zinc/22/80/41/928228041.db2.gz HJTWEHGHICVAOY-HOAMVYINSA-N 1 1 256.340 3.231 20 30 CGEDMO C=CCOC(=O)[C@H](CC(C)C)[NH2+]C1CCC(CC#N)CC1 ZINC001173329789 928228296 /nfs/dbraw/zinc/22/82/96/928228296.db2.gz NAECIWDPHPTGPP-GPANFISMSA-N 1 1 292.423 3.192 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)C2(CC(C)C)CC2)C1 ZINC001190593825 928257362 /nfs/dbraw/zinc/25/73/62/928257362.db2.gz FVFISYKGAIQMKD-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CC[N@H+](CC#CC)C[C@@H](c1ccccc1)C(C)C ZINC001560687307 937234373 /nfs/dbraw/zinc/23/43/73/937234373.db2.gz JWDLCSUXCBJBMN-GOSISDBHSA-N 1 1 253.389 3.385 20 30 CGEDMO C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](CCC)C(C)C)C1 ZINC001480737137 937236220 /nfs/dbraw/zinc/23/62/20/937236220.db2.gz WBVQYTDJXITMCX-SJORKVTESA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](C)CCC ZINC001489320215 928324167 /nfs/dbraw/zinc/32/41/67/928324167.db2.gz UCLHACSBDAXVBV-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCCC[C@H]1C[N@@H+](C)CCCF ZINC001489327426 928330347 /nfs/dbraw/zinc/33/03/47/928330347.db2.gz ZYUXDJZQEPNCSV-HNNXBMFYSA-N 1 1 298.446 3.261 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC12CCC2 ZINC001489340342 928330664 /nfs/dbraw/zinc/33/06/64/928330664.db2.gz WOYDIXLMVRITLL-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+](C)CCCNC(=O)c1ccc(C(F)F)cc1 ZINC001490258542 928339528 /nfs/dbraw/zinc/33/95/28/928339528.db2.gz IVIMWNZECAVWIB-UHFFFAOYSA-N 1 1 296.361 3.252 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)CCC2(C)CC2)C1 ZINC001490567725 928371392 /nfs/dbraw/zinc/37/13/92/928371392.db2.gz BXMNSRBMWTVDMD-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCCN(C(=O)/C(C)=C/C)C1 ZINC001490756650 928385593 /nfs/dbraw/zinc/38/55/93/928385593.db2.gz VKKVFKBXPDYAKV-JPPAPIOASA-N 1 1 292.467 3.478 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](C)C(C)(C)C)C1 ZINC001490766803 928386653 /nfs/dbraw/zinc/38/66/53/928386653.db2.gz PLICJIAVBMXEIF-LSDHHAIUSA-N 1 1 280.456 3.025 20 30 CGEDMO CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)CC(C)(C)CC)C1 ZINC001490757731 928386899 /nfs/dbraw/zinc/38/68/99/928386899.db2.gz BMXZTGKPKDPAEF-MRXNPFEDSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@@H](C[N@H+](C)CCCC)C1 ZINC001490773069 928387513 /nfs/dbraw/zinc/38/75/13/928387513.db2.gz WXZGBUANZWJQPV-INIZCTEOSA-N 1 1 280.456 3.313 20 30 CGEDMO CCCCCCC[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000796145094 928709641 /nfs/dbraw/zinc/70/96/41/928709641.db2.gz YNGPDUJLVCPKDA-UHFFFAOYSA-N 1 1 261.413 3.480 20 30 CGEDMO CC[C@H](C)[C@H](C)[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC001460184641 928740738 /nfs/dbraw/zinc/74/07/38/928740738.db2.gz LIHPYVKODRLMDF-GJZGRUSLSA-N 1 1 274.408 3.441 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]2C[N@@H+](CC(C)C)CC[C@H]21 ZINC001490984095 928821475 /nfs/dbraw/zinc/82/14/75/928821475.db2.gz QFMYINJONIVOLA-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](CNC(=O)C[C@@H](C)C2CC2)C1 ZINC001491133525 928836216 /nfs/dbraw/zinc/83/62/16/928836216.db2.gz MRNXFRWNSIYBGW-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)/C=C(/C)C2CC2)C1 ZINC001491280118 928851639 /nfs/dbraw/zinc/85/16/39/928851639.db2.gz HJKOKVWWTXTMHK-NPCRWQHWSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)/C=C(\C)C2CC2)C1 ZINC001491280120 928852053 /nfs/dbraw/zinc/85/20/53/928852053.db2.gz HJKOKVWWTXTMHK-YTLDMCMYSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2=CCCC2)C1 ZINC001491290856 928853516 /nfs/dbraw/zinc/85/35/16/928853516.db2.gz UKFKSENWTBPITL-NVXWUHKLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2(C)CCCC2)C1 ZINC001491293539 928854144 /nfs/dbraw/zinc/85/41/44/928854144.db2.gz WNOMTLOQDKQRLZ-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO CC#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CCCC(C)C)C1 ZINC001491295467 928854298 /nfs/dbraw/zinc/85/42/98/928854298.db2.gz BIPCWTVHDRMUKA-DLBZAZTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@H+](C)CCN(CC)C(=O)/C(F)=C/C1CCCCC1 ZINC001448872431 937377076 /nfs/dbraw/zinc/37/70/76/937377076.db2.gz JTTYQAKUKQGFOA-PEZBUJJGSA-N 1 1 296.430 3.386 20 30 CGEDMO N#Cc1ccnc(C[N@@H+](C2CC2)C2CCCCC2)c1 ZINC001459343322 937485759 /nfs/dbraw/zinc/48/57/59/937485759.db2.gz HDTQDMXXSCEOQC-UHFFFAOYSA-N 1 1 255.365 3.250 20 30 CGEDMO C=CCCCC[N@H+](C)C1CC(NC(=O)OC(C)(C)C)C1 ZINC001460114105 937516077 /nfs/dbraw/zinc/51/60/77/937516077.db2.gz RECXBKMMQMSULT-UHFFFAOYSA-N 1 1 282.428 3.330 20 30 CGEDMO C=CC[N@H+](CCSc1cccc(OC)c1)[C@H](C)COC ZINC001460406000 937530127 /nfs/dbraw/zinc/53/01/27/937530127.db2.gz AUPCSCMJRYHMFA-CQSZACIVSA-N 1 1 295.448 3.310 20 30 CGEDMO C=CC[N@H+](CCOc1ccccc1C(=O)OC)C(C)(C)C ZINC001460452732 937532083 /nfs/dbraw/zinc/53/20/83/937532083.db2.gz LRAQXBNBTXRUQG-UHFFFAOYSA-N 1 1 291.391 3.139 20 30 CGEDMO C=C(CC)C[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001460882179 937550684 /nfs/dbraw/zinc/55/06/84/937550684.db2.gz PQPDLIJXCMAVDW-LSDHHAIUSA-N 1 1 296.455 3.435 20 30 CGEDMO CC[N@@H+](C)Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001139400577 931952824 /nfs/dbraw/zinc/95/28/24/931952824.db2.gz XSLQXJBWNHGCMI-UHFFFAOYSA-N 1 1 251.333 3.072 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](CF)C2)c1Cl ZINC001140809879 931964096 /nfs/dbraw/zinc/96/40/96/931964096.db2.gz LIKPLZALPOGCIR-LLVKDONJSA-N 1 1 266.747 3.393 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCCC(C)(C)C1 ZINC001157172461 931979158 /nfs/dbraw/zinc/97/91/58/931979158.db2.gz QDIIFNOLNJYZFG-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CC[C@@H](Cc2nc(C)cs2)C1 ZINC001460825519 937547413 /nfs/dbraw/zinc/54/74/13/937547413.db2.gz BNWTUSCEDLQKQQ-KBPBESRZSA-N 1 1 262.422 3.118 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)C2(CCCC)CC2)CC1 ZINC001229017178 932072843 /nfs/dbraw/zinc/07/28/43/932072843.db2.gz RFZLUEFWGWTRJH-UHFFFAOYSA-N 1 1 298.858 3.290 20 30 CGEDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc(F)cc(C#N)c1)C2 ZINC001229035577 932077176 /nfs/dbraw/zinc/07/71/76/932077176.db2.gz XLVRSLNSPXTUSQ-QLPKVWCKSA-N 1 1 288.366 3.480 20 30 CGEDMO C[N@H+](Cc1csc(C#N)c1)Cc1ccc(C#N)cc1 ZINC001461934306 937607616 /nfs/dbraw/zinc/60/76/16/937607616.db2.gz BIZJBVGKOZRYEC-UHFFFAOYSA-N 1 1 267.357 3.123 20 30 CGEDMO C[N@@H+](Cc1csc(C#N)c1)Cc1ccc(C#N)cc1 ZINC001461934306 937607617 /nfs/dbraw/zinc/60/76/17/937607617.db2.gz BIZJBVGKOZRYEC-UHFFFAOYSA-N 1 1 267.357 3.123 20 30 CGEDMO C#CC[N@H+](Cc1ccc(CSC)cc1)CC1CC1 ZINC001461928838 937607677 /nfs/dbraw/zinc/60/76/77/937607677.db2.gz ULZZPGRSUCDIAO-UHFFFAOYSA-N 1 1 259.418 3.395 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCCF)CC1 ZINC001230586548 932592984 /nfs/dbraw/zinc/59/29/84/932592984.db2.gz AVSOSAYZXDKVCU-MRXNPFEDSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cncn1CCC ZINC001461999073 937612029 /nfs/dbraw/zinc/61/20/29/937612029.db2.gz JQFAEDJUKBFDTN-UHFFFAOYSA-N 1 1 273.380 3.117 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)c1ccsc1 ZINC001230698487 932611263 /nfs/dbraw/zinc/61/12/63/932611263.db2.gz QRDJUUIZWPTKOK-HIFRSBDPSA-N 1 1 292.448 3.249 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CC(C)(C)C ZINC001230786092 932623520 /nfs/dbraw/zinc/62/35/20/932623520.db2.gz QORYROZAALBVLQ-CABCVRRESA-N 1 1 280.456 3.310 20 30 CGEDMO C=C(C)[C@@H]1CC[C@H](C)C[C@@H]1Oc1[nH+][nH]cc2nncc1-2 ZINC001230899795 932638526 /nfs/dbraw/zinc/63/85/26/932638526.db2.gz AASLLXVYTOHKOQ-MJVIPROJSA-N 1 1 272.352 3.113 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)/C=C(/C)C1CC1 ZINC001230957691 932648329 /nfs/dbraw/zinc/64/83/29/932648329.db2.gz IAMYAYMVHFURNP-NPCRWQHWSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCCC1 ZINC001316605226 932747007 /nfs/dbraw/zinc/74/70/07/932747007.db2.gz IXYLHSNFZMJDDU-FUHWJXTLSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC(CC)CC ZINC001316607482 932748212 /nfs/dbraw/zinc/74/82/12/932748212.db2.gz OXENWMALWJYQFS-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)/C=C/C(C)(C)C)C1 ZINC001491917256 932796161 /nfs/dbraw/zinc/79/61/61/932796161.db2.gz URRQITLTBHVFNA-NKSUMMKUSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCCN(C(=O)CC2=CCCCC2)C1 ZINC001491915859 932796970 /nfs/dbraw/zinc/79/69/70/932796970.db2.gz HDOXSPALSMKGJM-KRWDZBQOSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2C)C1 ZINC001491942821 932798875 /nfs/dbraw/zinc/79/88/75/932798875.db2.gz GIWWQAKBUIJTLC-IXDOHACOSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](CCC)CC(C)C)C1 ZINC001491965328 932799676 /nfs/dbraw/zinc/79/96/76/932799676.db2.gz JWWOSIDQBSFQGD-DLBZAZTESA-N 1 1 292.467 3.005 20 30 CGEDMO C=C(C)C[N@@H+](C)CCNC(=O)CC(C1CCC1)C1CCC1 ZINC001492413978 932817517 /nfs/dbraw/zinc/81/75/17/932817517.db2.gz AJKOFRPVANEKHM-UHFFFAOYSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@](O)(CC)C(F)(F)F ZINC001307486597 932960337 /nfs/dbraw/zinc/96/03/37/932960337.db2.gz WVCHMJSDMWIGDG-GFCCVEGCSA-N 1 1 267.335 3.368 20 30 CGEDMO C#CCOCC[N@@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC001307536349 932967051 /nfs/dbraw/zinc/96/70/51/932967051.db2.gz XUHPMXFRHXKXDB-SFHVURJKSA-N 1 1 269.388 3.178 20 30 CGEDMO N#CC1(CC[N@@H+]2CC[C@H]3[C@@H](C2)C3(F)F)CCCCC1 ZINC001307598284 932974445 /nfs/dbraw/zinc/97/44/45/932974445.db2.gz VTCPQZNNRJMMRJ-QWHCGFSZSA-N 1 1 268.351 3.438 20 30 CGEDMO COc1ccc(C#N)cc1C[N@@H+]1CCc2ccc(C)cc2C1 ZINC001307911697 933018586 /nfs/dbraw/zinc/01/85/86/933018586.db2.gz GDFGHKFJPZJDIO-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCc2ccc(C)cc2C1 ZINC001307911697 933018594 /nfs/dbraw/zinc/01/85/94/933018594.db2.gz GDFGHKFJPZJDIO-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO CC1(C)CCC(C)(C)[N@@H+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC001307943680 933024059 /nfs/dbraw/zinc/02/40/59/933024059.db2.gz BYRVGTBCIFZBJH-INIZCTEOSA-N 1 1 286.419 3.492 20 30 CGEDMO C#CCC[N@H+](CCOC)CCC1C[C@@H](C)C[C@H](C)C1 ZINC001307955605 933025323 /nfs/dbraw/zinc/02/53/23/933025323.db2.gz CNDZGGKLKOVXKH-HOTGVXAUSA-N 1 1 265.441 3.421 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC001308077317 933045277 /nfs/dbraw/zinc/04/52/77/933045277.db2.gz HRHLFLOVKBGSKB-HUUCEWRRSA-N 1 1 296.455 3.435 20 30 CGEDMO Cc1cc(C[N@H+](C)C[C@]23CCC[C@H]2OCC3)ccc1C#N ZINC001462660907 937657562 /nfs/dbraw/zinc/65/75/62/937657562.db2.gz CYYXHBWQJLHPSR-QZTJIDSGSA-N 1 1 284.403 3.258 20 30 CGEDMO COc1cc(C[NH2+][C@@H](C)CC#N)cc(C(F)(F)F)c1 ZINC001308505276 933121708 /nfs/dbraw/zinc/12/17/08/933121708.db2.gz CUPKLCNHBUXDDX-VIFPVBQESA-N 1 1 272.270 3.106 20 30 CGEDMO C#Cc1ccc(C[N@H+](C)C2(C(=O)OCC)CCCCC2)cc1 ZINC001308595745 933140055 /nfs/dbraw/zinc/14/00/55/933140055.db2.gz YGYNZYVVZJCBBN-UHFFFAOYSA-N 1 1 299.414 3.366 20 30 CGEDMO C#CC[N@@H+](Cc1ccccc1)Cc1c(C)cc(OC)cc1O ZINC001308755907 933171330 /nfs/dbraw/zinc/17/13/30/933171330.db2.gz VVSDWFYHWCUJLB-UHFFFAOYSA-N 1 1 295.382 3.345 20 30 CGEDMO C=CC[C@H](CC)NC(=O)NC[C@H]1CCCC[N@@H+]1CCCC ZINC001311891359 933321073 /nfs/dbraw/zinc/32/10/73/933321073.db2.gz VYPLEULBEVFTED-JKSUJKDBSA-N 1 1 295.471 3.295 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](CNC(=O)C(C)(CC)CC)C1 ZINC001317534712 933384248 /nfs/dbraw/zinc/38/42/48/933384248.db2.gz FFLKFDZWWXVTID-OAHLLOKOSA-N 1 1 280.456 3.217 20 30 CGEDMO C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@](C)(CC)CCC ZINC001328782410 933465630 /nfs/dbraw/zinc/46/56/30/933465630.db2.gz ZZMWLPCGNNZWHZ-AEFFLSMTSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@H](CNC(=O)CC(C)C)C1 ZINC001317134057 933473970 /nfs/dbraw/zinc/47/39/70/933473970.db2.gz SNMIQQYZOGFDJC-CVEARBPZSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@@H+](CC2=CCCCC2)[C@@H]1C ZINC001316790998 933480488 /nfs/dbraw/zinc/48/04/88/933480488.db2.gz WCSGYIQGTGYQRH-WBVHZDCISA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)C(CC)CC)C1 ZINC001316945633 933499944 /nfs/dbraw/zinc/49/99/44/933499944.db2.gz QNIBANQCBMSGHI-GOEBONIOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC2(C)C)C1 ZINC001316942072 933500571 /nfs/dbraw/zinc/50/05/71/933500571.db2.gz XZSGNKGKULMUPP-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC(=O)N[C@@H]1CC[N@H+](Cc2cc(C)sc2C)C1 ZINC001316973951 933502740 /nfs/dbraw/zinc/50/27/40/933502740.db2.gz LJCIYPABYQJZCE-OAHLLOKOSA-N 1 1 292.448 3.022 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CC2(C)CCCC2)C1 ZINC001316975026 933505702 /nfs/dbraw/zinc/50/57/02/933505702.db2.gz ASHDNVQXXXFSFT-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@]2(C)CC=CCC2)C1 ZINC001317036350 933518191 /nfs/dbraw/zinc/51/81/91/933518191.db2.gz DLTBDTROAYFPFA-SJLPKXTDSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](CNC(=O)C=C(CC)CC)C1 ZINC001317131807 933537069 /nfs/dbraw/zinc/53/70/69/933537069.db2.gz DRWBFULDTRYKRY-MRXNPFEDSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)/C=C(\C)CC)C1 ZINC001317131919 933538424 /nfs/dbraw/zinc/53/84/24/933538424.db2.gz UOOPEHGEYNGGPC-STTHAQSSSA-N 1 1 278.440 3.137 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCCC ZINC001317199005 933552396 /nfs/dbraw/zinc/55/23/96/933552396.db2.gz OXNLWJBPQJTCDM-DLBZAZTESA-N 1 1 290.451 3.045 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC1(C)C ZINC001317429518 933591979 /nfs/dbraw/zinc/59/19/79/933591979.db2.gz IVOFRHBIBTZITI-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+](C)CCNC(=O)c1cc(F)ccc1CC ZINC001317450471 933593373 /nfs/dbraw/zinc/59/33/73/933593373.db2.gz CPZHGADWSWJFCN-UHFFFAOYSA-N 1 1 292.398 3.016 20 30 CGEDMO C=C1CCC(C(=O)NCC[N@H+](C)CCC2CCCC2)CC1 ZINC001317460171 933596169 /nfs/dbraw/zinc/59/61/69/933596169.db2.gz SGZLZTLESAULHP-UHFFFAOYSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)C1(C)CCCCC1 ZINC001317485967 933602359 /nfs/dbraw/zinc/60/23/59/933602359.db2.gz HDPATWNMZDLYFP-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)CC1CCCCCC1 ZINC001317486892 933603397 /nfs/dbraw/zinc/60/33/97/933603397.db2.gz JKDRHHNGEFMRKM-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@](C)(F)CCCC ZINC001317502890 933605593 /nfs/dbraw/zinc/60/55/93/933605593.db2.gz LFXGQNLPFJIMKF-GOEBONIOSA-N 1 1 284.419 3.062 20 30 CGEDMO C=CCC[N@@H+](CCC)CCNC(=O)c1ccc(F)c(C)c1 ZINC001317546874 933618742 /nfs/dbraw/zinc/61/87/42/933618742.db2.gz KQJHZPWBWGAQFZ-UHFFFAOYSA-N 1 1 292.398 3.152 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)c1ccccc1C)C(C)C ZINC001317678316 933630194 /nfs/dbraw/zinc/63/01/94/933630194.db2.gz IIGOCLXGVPFZHT-UHFFFAOYSA-N 1 1 288.435 3.401 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CC23CC3)C1 ZINC001317766192 933646823 /nfs/dbraw/zinc/64/68/23/933646823.db2.gz CBIWEURYFMATIY-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@@H](C[N@H+](C)CC/C=C/CC)C1 ZINC001317849325 933659367 /nfs/dbraw/zinc/65/93/67/933659367.db2.gz UJFDATURGPXWAR-FDMDGMSGSA-N 1 1 292.467 3.335 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC(C[N@@H+](C)CC=C(C)C)CC1 ZINC001317875856 933661712 /nfs/dbraw/zinc/66/17/12/933661712.db2.gz NPBFTMPHBXHZOM-UHFFFAOYSA-N 1 1 292.467 3.335 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC001317943646 933666656 /nfs/dbraw/zinc/66/66/56/933666656.db2.gz OZFODBVWFWGINP-SJLPKXTDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)c2coc(C)c2)C1 ZINC001317964870 933669075 /nfs/dbraw/zinc/66/90/75/933669075.db2.gz XEDWLLOPHXUDGB-CJNGLKHVSA-N 1 1 290.407 3.137 20 30 CGEDMO C=CCCCCC[NH+]1CC(NC(=O)C2CCC(F)CC2)C1 ZINC001318059617 933680415 /nfs/dbraw/zinc/68/04/15/933680415.db2.gz RCBIRDBXGVGGAS-UHFFFAOYSA-N 1 1 296.430 3.062 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC1C[NH+]([C@@H]2CCc3ccccc32)C1 ZINC001318056271 933680594 /nfs/dbraw/zinc/68/05/94/933680594.db2.gz JKLUOLRBMYKRCR-RDTXWAMCSA-N 1 1 298.430 3.077 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001318284931 933705948 /nfs/dbraw/zinc/70/59/48/933705948.db2.gz XBRKJLXSJSYWPE-YESZJQIVSA-N 1 1 292.467 3.193 20 30 CGEDMO C=C[C@H](C(=O)N[C@H]1CC[N@H+](CCC(=C)C)C1)c1ccccc1 ZINC001318301154 933706625 /nfs/dbraw/zinc/70/66/25/933706625.db2.gz NPFIJTPRSROLSG-ROUUACIJSA-N 1 1 298.430 3.113 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CCC(C)C)C1 ZINC001318383283 933716958 /nfs/dbraw/zinc/71/69/58/933716958.db2.gz ZUYYPSJBXOWLAX-JKSUJKDBSA-N 1 1 280.456 3.310 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@](C)(C=C)CC)C1 ZINC001318426017 933723996 /nfs/dbraw/zinc/72/39/96/933723996.db2.gz RPXWRFJBYCRHNP-WBVHZDCISA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H](N(CC)C(=O)/C(C)=C\C)C1 ZINC001318466127 933729572 /nfs/dbraw/zinc/72/95/72/933729572.db2.gz QMACAMKEJRHCGK-BKZJWICZSA-N 1 1 278.440 3.230 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H](C)CCC)C1 ZINC001318460274 933730763 /nfs/dbraw/zinc/73/07/63/933730763.db2.gz XMONAAQKKNHBLN-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)C[C@H]2CC=CCC2)C1 ZINC001318478093 933731216 /nfs/dbraw/zinc/73/12/16/933731216.db2.gz KAWNSXOFZACJCZ-DLBZAZTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+](C)CCC1CCN(C(=O)[C@H](C)C(C)C)CC1 ZINC001319887841 933952689 /nfs/dbraw/zinc/95/26/89/933952689.db2.gz IIMVQLVQVIBARA-MRXNPFEDSA-N 1 1 294.483 3.415 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)c1sccc1F ZINC001319993413 933975021 /nfs/dbraw/zinc/97/50/21/933975021.db2.gz AKDFBLZNQKNZIM-LBPRGKRZSA-N 1 1 298.427 3.246 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)C1(CC)CCCCC1 ZINC001320086204 933994108 /nfs/dbraw/zinc/99/41/08/933994108.db2.gz YXSRSAWNDAJULG-UHFFFAOYSA-N 1 1 280.456 3.313 20 30 CGEDMO CC[C@@H](CC#N)[NH2+]Cc1sc(N2CCCCC2)nc1C ZINC001320342931 934033289 /nfs/dbraw/zinc/03/32/89/934033289.db2.gz LCHIZBLLTPZIPM-ZDUSSCGKSA-N 1 1 292.452 3.224 20 30 CGEDMO C=C(C)CC[N@H+](C)Cc1ccc(OCC)c(OC)c1 ZINC001320413440 934045167 /nfs/dbraw/zinc/04/51/67/934045167.db2.gz YPESTKJWCULGEF-UHFFFAOYSA-N 1 1 263.381 3.492 20 30 CGEDMO C=CCn1cnn(C[N@@H+](CCCCC)C(C)C)c1=S ZINC001321880991 934220312 /nfs/dbraw/zinc/22/03/12/934220312.db2.gz WATRHLYGUPGUFP-UHFFFAOYSA-N 1 1 282.457 3.458 20 30 CGEDMO C=CCn1cnn(C[N@H+](CCCCC)C(C)C)c1=S ZINC001321880991 934220321 /nfs/dbraw/zinc/22/03/21/934220321.db2.gz WATRHLYGUPGUFP-UHFFFAOYSA-N 1 1 282.457 3.458 20 30 CGEDMO C=CC[C@H]([NH2+][C@H](C)CCC=C(C)C)C(=O)OCC ZINC001321965420 934228911 /nfs/dbraw/zinc/22/89/11/934228911.db2.gz BFUPDAXMLNMYBI-KGLIPLIRSA-N 1 1 253.386 3.219 20 30 CGEDMO C=CCCCCCOC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001322164633 934253547 /nfs/dbraw/zinc/25/35/47/934253547.db2.gz HMPSWIGVIOJZQR-UHFFFAOYSA-N 1 1 285.347 3.171 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)c1c(C)oc(C)c1C ZINC001322195206 934255976 /nfs/dbraw/zinc/25/59/76/934255976.db2.gz BVMUAYWEASFXSD-LBPRGKRZSA-N 1 1 292.423 3.221 20 30 CGEDMO C=CCCCC(=O)N[C@@H](C)C[N@@H+](C)CC1CCCCC1 ZINC001322230855 934260022 /nfs/dbraw/zinc/26/00/22/934260022.db2.gz OJEYURWVDJOQSP-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)c1ccc(C(F)F)cc1 ZINC001322270148 934267710 /nfs/dbraw/zinc/26/77/10/934267710.db2.gz VHXOOXSZYVERFC-GFCCVEGCSA-N 1 1 296.361 3.250 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001322282237 934268995 /nfs/dbraw/zinc/26/89/95/934268995.db2.gz WQUKTYAGKKPYCX-BZUAXINKSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)C(C)C ZINC001323243875 934376496 /nfs/dbraw/zinc/37/64/96/934376496.db2.gz UIQFQEQSDMNPRT-HUUCEWRRSA-N 1 1 280.456 3.214 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CC[N@@H+]2CC/C=C/CC)CCC1 ZINC001323300682 934383665 /nfs/dbraw/zinc/38/36/65/934383665.db2.gz BIIWTJQABYNOSR-JFDDCEBESA-N 1 1 290.451 3.280 20 30 CGEDMO C#CC[N@H+](Cc1cnn(-c2ccc(Cl)cc2)c1)CC1CC1 ZINC001323329348 934385522 /nfs/dbraw/zinc/38/55/22/934385522.db2.gz AQBBUBTWESDFAO-UHFFFAOYSA-N 1 1 299.805 3.371 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H](C)CCC)C2)C1 ZINC001323804120 934428087 /nfs/dbraw/zinc/42/80/87/934428087.db2.gz RWPFWHOUTCKSCB-FUHWJXTLSA-N 1 1 292.467 3.313 20 30 CGEDMO C#CC[N@H+](C[C@@H](O)c1ccc(C(F)(F)F)cc1)CC1CC1 ZINC001324270208 934479142 /nfs/dbraw/zinc/47/91/42/934479142.db2.gz NQABDGGUJFGYEX-OAHLLOKOSA-N 1 1 297.320 3.084 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](Cc2cc(C)cc(Cl)c2)C1 ZINC001324276284 934480993 /nfs/dbraw/zinc/48/09/93/934480993.db2.gz PHHWDOHZRDYUIL-HNNXBMFYSA-N 1 1 265.784 3.425 20 30 CGEDMO C=CCCCN(CC)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001472254139 937774541 /nfs/dbraw/zinc/77/45/41/937774541.db2.gz LBEVZOFNWIRZAH-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@](C)(NC(=O)C2CCC2)C1 ZINC001324570774 934524611 /nfs/dbraw/zinc/52/46/11/934524611.db2.gz HARYPYVMRWTZGW-KRWDZBQOSA-N 1 1 280.456 3.338 20 30 CGEDMO C=CC[N@H+](Cc1ccc(C2(C(=O)OC)CC2)cc1)C(C)C ZINC001473126400 937793590 /nfs/dbraw/zinc/79/35/90/937793590.db2.gz NDVWMQLIGITCAT-UHFFFAOYSA-N 1 1 287.403 3.288 20 30 CGEDMO C=CC[N@@H+](CC[C@H]1CCC[C@H](C)C1)CC(=O)OCC ZINC001473131030 937793949 /nfs/dbraw/zinc/79/39/49/937793949.db2.gz MGCXIDPHSZHBMU-LSDHHAIUSA-N 1 1 267.413 3.254 20 30 CGEDMO C=CC[N@H+](CC[C@H]1CCC[C@H](C)C1)CC(=O)OCC ZINC001473131030 937793950 /nfs/dbraw/zinc/79/39/50/937793950.db2.gz MGCXIDPHSZHBMU-LSDHHAIUSA-N 1 1 267.413 3.254 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@@H](O)CC1(O)CCCCC1 ZINC001473179852 937795717 /nfs/dbraw/zinc/79/57/17/937795717.db2.gz UEGNHYHDMMAIRY-INIZCTEOSA-N 1 1 283.456 3.111 20 30 CGEDMO Cc1ccc(C)c([C@H](C)[NH2+]Cc2ccncc2C#N)c1 ZINC001473349916 937802353 /nfs/dbraw/zinc/80/23/53/937802353.db2.gz RGRZIIZPVOYDJL-AWEZNQCLSA-N 1 1 265.360 3.421 20 30 CGEDMO C#CC[N@H+](Cc1ccccc1)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC001473454747 937807480 /nfs/dbraw/zinc/80/74/80/937807480.db2.gz UMZPQNJFFUSOCR-BZSNNMDCSA-N 1 1 269.388 3.079 20 30 CGEDMO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C)CCC)C2 ZINC001325612655 934920361 /nfs/dbraw/zinc/92/03/61/934920361.db2.gz MJQLETLERBHWFM-NXOAAHMSSA-N 1 1 292.467 3.358 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cncc(C#N)c1 ZINC001473573638 937811760 /nfs/dbraw/zinc/81/17/60/937811760.db2.gz QNRJHHJTWYZZRY-CYBMUJFWSA-N 1 1 276.343 3.018 20 30 CGEDMO N#Cc1ccccc1OCC[N@H+]1CC[C@H](C2CCCC2)C1 ZINC001473566716 937811869 /nfs/dbraw/zinc/81/18/69/937811869.db2.gz BXSVMZOXQPEGAK-KRWDZBQOSA-N 1 1 284.403 3.449 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[C@H](C=C)CC ZINC001325897174 934937845 /nfs/dbraw/zinc/93/78/45/934937845.db2.gz IYXMZIYBWZFZCC-BRWVUGGUSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1Cl)[C@@H](C)COC ZINC001473636958 937813547 /nfs/dbraw/zinc/81/35/47/937813547.db2.gz NBSNQVUAYUVZAA-ZDUSSCGKSA-N 1 1 267.800 3.405 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)CC(CC)CC)[C@@H]2C1 ZINC001325955862 934941774 /nfs/dbraw/zinc/94/17/74/934941774.db2.gz MPKMDUVYWYDYMF-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C#CC[N@@H+](C[C@@H](OC)c1ccc(Cl)cc1)C1CSC1 ZINC001473630279 937814618 /nfs/dbraw/zinc/81/46/18/937814618.db2.gz PYUYHDAAHQNBLN-OAHLLOKOSA-N 1 1 295.835 3.078 20 30 CGEDMO C#CC[N@H+](C[C@@H](OC)c1ccc(Cl)cc1)C1CSC1 ZINC001473630279 937814620 /nfs/dbraw/zinc/81/46/20/937814620.db2.gz PYUYHDAAHQNBLN-OAHLLOKOSA-N 1 1 295.835 3.078 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCCC[C@H]1[C@@H](C)CO ZINC001473632378 937814895 /nfs/dbraw/zinc/81/48/95/937814895.db2.gz YDHLTSKBVROKBJ-YJBOKZPZSA-N 1 1 286.419 3.158 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)CC1CCC(O)CC1 ZINC001326407692 934976683 /nfs/dbraw/zinc/97/66/83/934976683.db2.gz WFFCYRQRUCTYKC-UHFFFAOYSA-N 1 1 284.403 3.097 20 30 CGEDMO Cc1ccc(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)cc1C#N ZINC001473723474 937819330 /nfs/dbraw/zinc/81/93/30/937819330.db2.gz DJLTWFLAJHSBAQ-IYBDPMFKSA-N 1 1 252.361 3.265 20 30 CGEDMO CCCCCCCCC[N@H+]1CCO[C@@](C)(COC)C1 ZINC001473690928 937817783 /nfs/dbraw/zinc/81/77/83/937817783.db2.gz PLXJSQDDKFMTMZ-MRXNPFEDSA-N 1 1 271.445 3.474 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001326787530 935006953 /nfs/dbraw/zinc/00/69/53/935006953.db2.gz QVFLDBNEAPXODY-UKRRQHHQSA-N 1 1 299.374 3.479 20 30 CGEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001326787530 935006956 /nfs/dbraw/zinc/00/69/56/935006956.db2.gz QVFLDBNEAPXODY-UKRRQHHQSA-N 1 1 299.374 3.479 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C2(CCCC)CC2)CC1 ZINC001327148238 935036185 /nfs/dbraw/zinc/03/61/85/935036185.db2.gz RGGLFBLFJLIABJ-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@H+](C)CCCN(C)C(=O)c1cc(C)sc1C ZINC001327229264 935046829 /nfs/dbraw/zinc/04/68/29/935046829.db2.gz JGTBWQJFHHLFTC-UHFFFAOYSA-N 1 1 294.464 3.335 20 30 CGEDMO C=CC[N@H+]1Cc2ccccc2C[C@H]1CNC(=O)/C(C)=C/CC ZINC001327506661 935064944 /nfs/dbraw/zinc/06/49/44/935064944.db2.gz HKSSRKZEPBGVHP-KWJIGKFDSA-N 1 1 298.430 3.072 20 30 CGEDMO C=CC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)/C(C)=C/CC ZINC001327506661 935064951 /nfs/dbraw/zinc/06/49/51/935064951.db2.gz HKSSRKZEPBGVHP-KWJIGKFDSA-N 1 1 298.430 3.072 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C(C)C)C(C)(C)C1 ZINC001328079663 935115447 /nfs/dbraw/zinc/11/54/47/935115447.db2.gz DQPALIJJTJQSJJ-AWEZNQCLSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[N@@H+](CC2CCC2)[C@H](C)C1 ZINC001328277136 935127916 /nfs/dbraw/zinc/12/79/16/935127916.db2.gz CRDJLXZRFFSASN-GDBMZVCRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)CC1CC(C)(C)C1 ZINC001328753085 935166380 /nfs/dbraw/zinc/16/63/80/935166380.db2.gz ORZVAIPNVWLAIU-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@@H](CC)C(C)C ZINC001328787642 935169010 /nfs/dbraw/zinc/16/90/10/935169010.db2.gz WUOAIKPOXCIXMI-CVEARBPZSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC(=O)NC[C@@H](C)[N@@H+](C)CCC1CCCCC1 ZINC001329398594 935211675 /nfs/dbraw/zinc/21/16/75/935211675.db2.gz SVUQUAFIBROQKJ-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)C1CCCC1 ZINC001329592779 935231077 /nfs/dbraw/zinc/23/10/77/935231077.db2.gz UJIYAUBXBXDQEJ-CABCVRRESA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H](C)[N@H+](C)CC(C)C)CCCC1 ZINC001329626641 935234822 /nfs/dbraw/zinc/23/48/22/935234822.db2.gz AHMYNMQPEQJZRH-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)/C(C)=C/CC)C[C@@H]2C1 ZINC001330449907 935288831 /nfs/dbraw/zinc/28/88/31/935288831.db2.gz AXLQKHSDOBOBDP-QFOKTXRVSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCO[C@@H]1CC[N@@H+](Cc2c(F)cccc2OCC)C1 ZINC001331066259 935346605 /nfs/dbraw/zinc/34/66/05/935346605.db2.gz IUHBWAHZDZJIRL-CYBMUJFWSA-N 1 1 279.355 3.001 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2c(F)cccc2OCC)C1 ZINC001331066259 935346610 /nfs/dbraw/zinc/34/66/10/935346610.db2.gz IUHBWAHZDZJIRL-CYBMUJFWSA-N 1 1 279.355 3.001 20 30 CGEDMO C=C(C)CCC(=O)N[C@]12CCC[C@H]1[N@@H+](CCC(=C)C)CC2 ZINC001332091015 935438713 /nfs/dbraw/zinc/43/87/13/935438713.db2.gz OJSFFUBMTVTHLZ-AEFFLSMTSA-N 1 1 290.451 3.422 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21)C(C)C ZINC001332711916 935484586 /nfs/dbraw/zinc/48/45/86/935484586.db2.gz YBCDVAPNJQEARW-ZACQAIPSSA-N 1 1 292.467 3.168 20 30 CGEDMO CO[C@H]1C[N@@H+](CCCCC2(C#N)CCC2)CC[C@H]1C ZINC001332992425 935503165 /nfs/dbraw/zinc/50/31/65/935503165.db2.gz FLALEKPIUURQNS-CABCVRRESA-N 1 1 264.413 3.207 20 30 CGEDMO Cc1ccc(C[N@@H+](CCO)CC2CCC(C#N)CC2)cc1 ZINC001334769607 936112789 /nfs/dbraw/zinc/11/27/89/936112789.db2.gz MIZFMDLVQVPCOF-UHFFFAOYSA-N 1 1 286.419 3.119 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](CC[C@H]2CCCC2(F)F)C1 ZINC001336775972 936217324 /nfs/dbraw/zinc/21/73/24/936217324.db2.gz PIQWDCKRGZBRSS-CHWSQXEVSA-N 1 1 259.340 3.089 20 30 CGEDMO C#CC[N@@H+](Cc1cccc(OCCCC#N)c1)C(C)C ZINC001336857825 936222831 /nfs/dbraw/zinc/22/28/31/936222831.db2.gz JDSAPEOQKXYOTA-UHFFFAOYSA-N 1 1 270.376 3.213 20 30 CGEDMO C#C[C@H]1CCCC[N@@H+]1CCCc1c(F)cccc1F ZINC001473868508 937826217 /nfs/dbraw/zinc/82/62/17/937826217.db2.gz RVUOPCYMGPVQDI-ZDUSSCGKSA-N 1 1 263.331 3.385 20 30 CGEDMO C#CCOc1cccc(Cl)c1C[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC001474350048 937853231 /nfs/dbraw/zinc/85/32/31/937853231.db2.gz DQBDVTLWGZXUAO-OKILXGFUSA-N 1 1 289.806 3.440 20 30 CGEDMO Cc1cc(C)cc(CC[N@H+]2CCC[C@](C)(C#N)C2)c1 ZINC001474388851 937856840 /nfs/dbraw/zinc/85/68/40/937856840.db2.gz YKCJPWLEZVSQKM-QGZVFWFLSA-N 1 1 256.393 3.472 20 30 CGEDMO CN(C)c1ccc(C#N)cc1C[N@@H+](C)Cc1cccc(F)c1 ZINC001474410761 937858141 /nfs/dbraw/zinc/85/81/41/937858141.db2.gz XXIZXZSHLIBTGS-UHFFFAOYSA-N 1 1 297.377 3.395 20 30 CGEDMO C=CCC[C@@H]([NH2+]C1CCC(C)CC1)C(=O)OCC ZINC001474528478 937864740 /nfs/dbraw/zinc/86/47/40/937864740.db2.gz NWVYPTUPULSWIM-JXQTWKCFSA-N 1 1 253.386 3.053 20 30 CGEDMO C#Cc1ccc(C[N@H+]2CCOc3ccc(OC)cc3C2)cc1 ZINC001474532653 937865242 /nfs/dbraw/zinc/86/52/42/937865242.db2.gz LOOVSUSMXORXHW-UHFFFAOYSA-N 1 1 293.366 3.071 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCOc3ccc(OC)cc3C2)cc1 ZINC001474532653 937865243 /nfs/dbraw/zinc/86/52/43/937865243.db2.gz LOOVSUSMXORXHW-UHFFFAOYSA-N 1 1 293.366 3.071 20 30 CGEDMO C#Cc1ccc(C[NH2+]Cc2c(F)nccc2Cl)cc1 ZINC001474533150 937865443 /nfs/dbraw/zinc/86/54/43/937865443.db2.gz VRNWPROCZIDEEN-UHFFFAOYSA-N 1 1 274.726 3.145 20 30 CGEDMO C[N@H+](Cc1ccc(Cl)cc1O)CC(C)(C)C#N ZINC001474541833 937865679 /nfs/dbraw/zinc/86/56/79/937865679.db2.gz PYGUMIRATQTGSA-UHFFFAOYSA-N 1 1 252.745 3.027 20 30 CGEDMO C[N@@H+](Cc1ccc(Cl)cc1O)CC(C)(C)C#N ZINC001474541833 937865681 /nfs/dbraw/zinc/86/56/81/937865681.db2.gz PYGUMIRATQTGSA-UHFFFAOYSA-N 1 1 252.745 3.027 20 30 CGEDMO C=CC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)C1CCCC1 ZINC001474599184 937869580 /nfs/dbraw/zinc/86/95/80/937869580.db2.gz PTJABODLALLIDJ-SFHVURJKSA-N 1 1 298.430 3.078 20 30 CGEDMO C=CC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)C1CCCC1 ZINC001474599184 937869581 /nfs/dbraw/zinc/86/95/81/937869581.db2.gz PTJABODLALLIDJ-SFHVURJKSA-N 1 1 298.430 3.078 20 30 CGEDMO C#CC[C@@H]1CC[N@@H+](Cc2c(Cl)ccnc2Cl)C1 ZINC001474646546 937873033 /nfs/dbraw/zinc/87/30/33/937873033.db2.gz GOCPBFNIPHRNQV-SNVBAGLBSA-N 1 1 269.175 3.234 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2c(Cl)ccnc2Cl)C1 ZINC001474646546 937873035 /nfs/dbraw/zinc/87/30/35/937873035.db2.gz GOCPBFNIPHRNQV-SNVBAGLBSA-N 1 1 269.175 3.234 20 30 CGEDMO CCCCCCCNC(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC001478589937 937907787 /nfs/dbraw/zinc/90/77/87/937907787.db2.gz BGLZMFJUYVGIRS-MRXNPFEDSA-N 1 1 295.471 3.273 20 30 CGEDMO C=CC(C)(C)CCNC(=O)NCC[N@H+](C)C1CCCCC1 ZINC001479031260 937915487 /nfs/dbraw/zinc/91/54/87/937915487.db2.gz FGYPKESPSVEWKG-UHFFFAOYSA-N 1 1 295.471 3.152 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C1(C)CC=CC1 ZINC001479241952 937918164 /nfs/dbraw/zinc/91/81/64/937918164.db2.gz GZFKCOJBKUTADZ-HOTGVXAUSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCCCC(=O)N(C)C[C@H]1CC[N@H+]1CC1CCCC1 ZINC001479242810 937918329 /nfs/dbraw/zinc/91/83/29/937918329.db2.gz XCUKWJCUTSAMBV-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@@H+](CC(C)C)[C@@H]1CC ZINC001479640292 937923409 /nfs/dbraw/zinc/92/34/09/937923409.db2.gz GGKTWJGFBJJSKW-OWCLPIDISA-N 1 1 280.456 3.214 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[C@H](C)CCC ZINC001479733475 937924403 /nfs/dbraw/zinc/92/44/03/937924403.db2.gz UCZQIEATUFKUSZ-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CCCCC(=O)N1CCCC[C@H]1C[N@@H+](C)CCCC=C ZINC001479733864 937924884 /nfs/dbraw/zinc/92/48/84/937924884.db2.gz DIEHWKLDWACWKT-KRWDZBQOSA-N 1 1 290.451 3.069 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001479953811 937929729 /nfs/dbraw/zinc/92/97/29/937929729.db2.gz GMAKGZXJKFRJKO-MRXNPFEDSA-N 1 1 292.467 3.382 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H](NC(=O)c2ccc(C)o2)C1 ZINC001479944488 937929777 /nfs/dbraw/zinc/92/97/77/937929777.db2.gz VELPQEMJEXYZRL-HNNXBMFYSA-N 1 1 292.423 3.363 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2CC[N@H+](CC(=C)C)C2)CCCCC1 ZINC001479971922 937930332 /nfs/dbraw/zinc/93/03/32/937930332.db2.gz KJGIPMMFXGAKBP-MRXNPFEDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCCCF ZINC001480178188 937933521 /nfs/dbraw/zinc/93/35/21/937933521.db2.gz URDUNVWCSBCTLH-MQVJKMGUSA-N 1 1 296.430 3.204 20 30 CGEDMO C=CC(C)(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)CC ZINC001480180996 937933585 /nfs/dbraw/zinc/93/35/85/937933585.db2.gz LYWIULFOVOMLNO-WZYMTQMTSA-N 1 1 292.467 3.356 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)CCCC)C1 ZINC001480252600 937935272 /nfs/dbraw/zinc/93/52/72/937935272.db2.gz OEKZSNVNBUPUFK-CVEARBPZSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)C[C@H](C)CC(C)C)C1 ZINC001480268318 937935600 /nfs/dbraw/zinc/93/56/00/937935600.db2.gz XUAKJSURCAXVDV-SJORKVTESA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](CC=C(C)C)C1 ZINC001480377454 937937673 /nfs/dbraw/zinc/93/76/73/937937673.db2.gz UQUSJKHKTZZBGK-JKSUJKDBSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C(F)=C2CCCC2)C1 ZINC001480378298 937937723 /nfs/dbraw/zinc/93/77/23/937937723.db2.gz PWFGKQHOCQXAJL-DZGCQCFKSA-N 1 1 294.414 3.187 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)C1CC(C)(C)C1 ZINC001480822733 937944825 /nfs/dbraw/zinc/94/48/25/937944825.db2.gz YWIPYIDSVNRAOP-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)c1ccsc1 ZINC001493073869 937946824 /nfs/dbraw/zinc/94/68/24/937946824.db2.gz LHEMLUZQAFYGOM-HIFRSBDPSA-N 1 1 292.448 3.297 20 30 CGEDMO C=CCC[N@@H+](CC)CCNC(=O)C1CCC(C)(C)CC1 ZINC001493062384 937946941 /nfs/dbraw/zinc/94/69/41/937946941.db2.gz CRJGXFHLNUDPRH-UHFFFAOYSA-N 1 1 280.456 3.217 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)/C=C/C(C)(C)C ZINC001493087107 937947498 /nfs/dbraw/zinc/94/74/98/937947498.db2.gz ORMSGMFKLZXAPY-AUECHBEKSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C1CCC(C(=O)NCCC[N@@H+](CC2CC2)C(C)C)CC1 ZINC001493869885 937951723 /nfs/dbraw/zinc/95/17/23/937951723.db2.gz AXUGYMWZFFEQML-UHFFFAOYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)/C(C)=C/CC)C1 ZINC001493939240 937952238 /nfs/dbraw/zinc/95/22/38/937952238.db2.gz KOPSGIBCAHHCNY-WPBGYSLVSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H](C)C(C)C)C1 ZINC001493968926 937952594 /nfs/dbraw/zinc/95/25/94/937952594.db2.gz MWGSAOGPCLLKBC-JKSUJKDBSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](CC)CCC)C1 ZINC001494066182 937953398 /nfs/dbraw/zinc/95/33/98/937953398.db2.gz JARWXRJCXMCZJH-CVEARBPZSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@@H](C[N@H+](C)CCCC)C1 ZINC001494151325 937953669 /nfs/dbraw/zinc/95/36/69/937953669.db2.gz YXKRGHGJOGZMFI-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC[N@H+](C)CC1CCN(C(=O)C2(C)CCC2)CC1 ZINC001494205043 937954056 /nfs/dbraw/zinc/95/40/56/937954056.db2.gz NDEMMIXHCJISKA-UHFFFAOYSA-N 1 1 292.467 3.313 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)CCC(C)(C)C)C1 ZINC001494327020 937954437 /nfs/dbraw/zinc/95/44/37/937954437.db2.gz MSOADWBSPOFKMR-HOTGVXAUSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC1(C(=O)NC2C[NH+](CC/C=C\CCC)C2)CCC1 ZINC001494441033 937954607 /nfs/dbraw/zinc/95/46/07/937954607.db2.gz DNKWMKIRKUOMDK-SREVYHEPSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)CCN(C)C(=O)C(C)(C)C(C)C ZINC001496708008 937963490 /nfs/dbraw/zinc/96/34/90/937963490.db2.gz OAWDGUMWBITACJ-HNNXBMFYSA-N 1 1 282.472 3.414 20 30 CGEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)C[C@@H](C)CC(C)C ZINC001496819677 937964119 /nfs/dbraw/zinc/96/41/19/937964119.db2.gz SPMCFZHWEASJRP-HNNXBMFYSA-N 1 1 268.445 3.025 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)C(F)=C1CCCC1 ZINC001498259039 937968503 /nfs/dbraw/zinc/96/85/03/937968503.db2.gz MOFZCRNEUVETLS-CYBMUJFWSA-N 1 1 282.403 3.187 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)c1cc2cc(C)ccc2[nH]1 ZINC001498349648 937969145 /nfs/dbraw/zinc/96/91/45/937969145.db2.gz OIXYWODYXZZSGF-CQSZACIVSA-N 1 1 299.418 3.103 20 30 CGEDMO C=CCCCC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(C)cc1 ZINC001498370073 937969204 /nfs/dbraw/zinc/96/92/04/937969204.db2.gz UNRLQVVIYPELCN-INIZCTEOSA-N 1 1 288.435 3.288 20 30 CGEDMO C#CCC[N@H+](C)C[C@H](C)NC(=O)C1(CC(C)C)CCCC1 ZINC001498409450 937969544 /nfs/dbraw/zinc/96/95/44/937969544.db2.gz REKGSTPKURGZPJ-INIZCTEOSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1CC ZINC001499047533 937972171 /nfs/dbraw/zinc/97/21/71/937972171.db2.gz JLORGBZVMMUOML-MRXNPFEDSA-N 1 1 286.419 3.019 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC12CCC2 ZINC001499071837 937972398 /nfs/dbraw/zinc/97/23/98/937972398.db2.gz KVYNMJNTDQPGEF-JKSUJKDBSA-N 1 1 292.467 3.338 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(Cl)cc1 ZINC001499106910 937972611 /nfs/dbraw/zinc/97/26/11/937972611.db2.gz NHECXBKPTMWQAR-HNNXBMFYSA-N 1 1 292.810 3.110 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@](C)(NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001500201133 937976263 /nfs/dbraw/zinc/97/62/63/937976263.db2.gz SMPFBYIOEOVTQC-SFHVURJKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@](C)(NC(=O)CC2CCC2)C1 ZINC001500203927 937976359 /nfs/dbraw/zinc/97/63/59/937976359.db2.gz JMKRRCKERUXVOH-YOEHRIQHSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCCC(=O)N[C@]1(C)CC[N@@H+](CCC2=CCCCC2)C1 ZINC001500189966 937976459 /nfs/dbraw/zinc/97/64/59/937976459.db2.gz MFZYXBPATYTKRJ-GOSISDBHSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CCCC(=O)N[C@@]1(C)CC[N@@H+](CCC2=CCCCC2)C1 ZINC001500189967 937976490 /nfs/dbraw/zinc/97/64/90/937976490.db2.gz MFZYXBPATYTKRJ-SFHVURJKSA-N 1 1 290.451 3.424 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)c2cccs2)C1 ZINC001500258536 937976655 /nfs/dbraw/zinc/97/66/55/937976655.db2.gz UPJOHRQEBXPFOE-CJNGLKHVSA-N 1 1 292.448 3.008 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC(C)C ZINC001501396187 937979574 /nfs/dbraw/zinc/97/95/74/937979574.db2.gz TVAXMTIMYGPIML-IKGGRYGDSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)CC)CC1 ZINC001502102417 937981078 /nfs/dbraw/zinc/98/10/78/937981078.db2.gz WOMYZTWGOXOUFM-HNNXBMFYSA-N 1 1 266.429 3.114 20 30 CGEDMO C=CC[C@@H](C(=O)N(C)CCC[N@H+](C)CC)c1ccccc1 ZINC001502399157 937982544 /nfs/dbraw/zinc/98/25/44/937982544.db2.gz ZNYGFFAQFXLUQZ-QGZVFWFLSA-N 1 1 288.435 3.147 20 30 CGEDMO C=C(C)C[N@@H+]1Cc2ccc(CNC(=O)[C@@H](C)C3CC3)cc2C1 ZINC001502648667 937982550 /nfs/dbraw/zinc/98/25/50/937982550.db2.gz QMGHKGYIJKKUEE-AWEZNQCLSA-N 1 1 298.430 3.241 20 30 CGEDMO C=CCCC(=O)N1CCC[C@@]2(CC[N@H+](C[C@@H](F)CC)C2)C1 ZINC001502541394 937982689 /nfs/dbraw/zinc/98/26/89/937982689.db2.gz NUXPYNRCDZREDW-RDJZCZTQSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1CC[N@H+](CC[C@@H](C)F)CC1(C)C ZINC001502832777 937983769 /nfs/dbraw/zinc/98/37/69/937983769.db2.gz YTZZWJICNHLXDS-HUUCEWRRSA-N 1 1 298.446 3.308 20 30 CGEDMO CCCCC[N@H+]1CC[C@H](NC(=O)C#CC(C)(C)C)C[C@@H]1C ZINC001502923679 937983870 /nfs/dbraw/zinc/98/38/70/937983870.db2.gz UPMJWLXSZKPTAV-HOTGVXAUSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)CCCCC(C)C)C[C@@H]1C ZINC001503003459 937983917 /nfs/dbraw/zinc/98/39/17/937983917.db2.gz RSFZXDCTTLTKMI-HOTGVXAUSA-N 1 1 280.456 3.358 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)C1CC1 ZINC001505443643 937985401 /nfs/dbraw/zinc/98/54/01/937985401.db2.gz OBKOJGLRCKQHHW-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C[C@@H]1CC=CCC1 ZINC001505441363 937985551 /nfs/dbraw/zinc/98/55/51/937985551.db2.gz BZSQPODIXJOBDX-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@H](CC)CC(C)C ZINC001506034878 937989000 /nfs/dbraw/zinc/98/90/00/937989000.db2.gz YGVLZWLAKJRKAQ-HUUCEWRRSA-N 1 1 268.445 3.071 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)CCCC1CCCC1 ZINC001506065309 937989193 /nfs/dbraw/zinc/98/91/93/937989193.db2.gz MVPAJSVDZNTZBJ-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CNC(=O)/C(C)=C/C ZINC001506563795 937990568 /nfs/dbraw/zinc/99/05/68/937990568.db2.gz SMBIHAQJPRROOX-NQADCFBISA-N 1 1 284.831 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCCC[C@@H]1CNC(=O)/C(C)=C/C ZINC001506563795 937990569 /nfs/dbraw/zinc/99/05/69/937990569.db2.gz SMBIHAQJPRROOX-NQADCFBISA-N 1 1 284.831 3.066 20 30 CGEDMO C=CCC[N@@H+]1CCCCC[C@H]1CNC(=O)CSCCC ZINC001506558241 937990581 /nfs/dbraw/zinc/99/05/81/937990581.db2.gz HRRNMXDIPZCNKW-HNNXBMFYSA-N 1 1 298.496 3.067 20 30 CGEDMO C=C(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)C[C@@H](C)C1CC1 ZINC001506581883 937990846 /nfs/dbraw/zinc/99/08/46/937990846.db2.gz LKEDKJDWQQSIDI-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCCC(=O)N[C@@H]1C[N@H+](C[C@@H](C)CC)CC1(C)C ZINC001506750497 937991868 /nfs/dbraw/zinc/99/18/68/937991868.db2.gz ZIUVWPQWMUHDFV-LSDHHAIUSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCC[N@@H+]1CCCC2(CN(C(=O)/C=C/C(C)(C)C)C2)C1 ZINC001506855930 937992179 /nfs/dbraw/zinc/99/21/79/937992179.db2.gz KDNFJLPVUXGIKK-CSKARUKUSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H](C)CC)CCC[C@@H]12 ZINC001507333112 937995051 /nfs/dbraw/zinc/99/50/51/937995051.db2.gz BOHIJDIHEVBIEJ-BFYDXBDKSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)CC(C)=C(C)C)CCC[C@H]12 ZINC001507346985 937995174 /nfs/dbraw/zinc/99/51/74/937995174.db2.gz GBJWDEJFYMJITG-WMZOPIPTSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)CCC3CCC3)CCC[C@H]12 ZINC001507340453 937995371 /nfs/dbraw/zinc/99/53/71/937995371.db2.gz KEDJBJUPLKNXLJ-WMZOPIPTSA-N 1 1 290.451 3.256 20 30 CGEDMO C=C/C(C)=C\CC(=O)N[C@@H]1CCC[N@@H+](CC(=C)C)[C@@H]1C ZINC001507381646 937995700 /nfs/dbraw/zinc/99/57/00/937995700.db2.gz JUENCULYWASLSX-KUKCEQTMSA-N 1 1 276.424 3.054 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCC1=CC[N@H+](C/C=C\Cl)CC1 ZINC001508218720 937998658 /nfs/dbraw/zinc/99/86/58/937998658.db2.gz CBHICXSERYLCSX-CXOKCQFOSA-N 1 1 296.842 3.090 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCC1=CC[N@@H+](C/C=C\Cl)CC1 ZINC001508218720 937998659 /nfs/dbraw/zinc/99/86/59/937998659.db2.gz CBHICXSERYLCSX-CXOKCQFOSA-N 1 1 296.842 3.090 20 30 CGEDMO CCc1ccc(NCc2ccc(OCC#N)cc2)[nH+]c1 ZINC001515445388 938006108 /nfs/dbraw/zinc/00/61/08/938006108.db2.gz SMWNBPDMKVJGJM-UHFFFAOYSA-N 1 1 267.332 3.158 20 30 CGEDMO C=C(CC(C)C)C(=O)Nc1cccnc1-n1cc[nH+]c1C ZINC001518952803 938017410 /nfs/dbraw/zinc/01/74/10/938017410.db2.gz CTJBTWMKTLABEF-UHFFFAOYSA-N 1 1 284.363 3.117 20 30 CGEDMO CCCCCCC[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001544952857 938147855 /nfs/dbraw/zinc/14/78/55/938147855.db2.gz HZTLVNFBUWBPLA-JKSUJKDBSA-N 1 1 282.472 3.441 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)CC1(O)CCCCCC1 ZINC001559513579 938228406 /nfs/dbraw/zinc/22/84/06/938228406.db2.gz CRLHEMZWOAOUDJ-UHFFFAOYSA-N 1 1 289.394 3.346 20 30 CGEDMO C[C@H](CC#N)[N@@H+](C)CCCCCCNC(=O)OC(C)(C)C ZINC001559647918 938231741 /nfs/dbraw/zinc/23/17/41/938231741.db2.gz SHCNLYRHLJVEGZ-CQSZACIVSA-N 1 1 297.443 3.305 20 30 CGEDMO C[C@]1(C#N)CCC[N@H+](C[C@@H]2CC3(CO2)CCCCC3)C1 ZINC001559671330 938232571 /nfs/dbraw/zinc/23/25/71/938232571.db2.gz LYBFFGBDDZYTCS-JKSUJKDBSA-N 1 1 276.424 3.351 20 30 CGEDMO C[C@]1(C#N)CCC[N@@H+](C[C@@H]2CC3(CO2)CCCCC3)C1 ZINC001559671330 938232572 /nfs/dbraw/zinc/23/25/72/938232572.db2.gz LYBFFGBDDZYTCS-JKSUJKDBSA-N 1 1 276.424 3.351 20 30 CGEDMO CC[C@@H]1Cc2ccccc2C[N@H+]1Cc1cc(C#N)ccn1 ZINC001559728457 938233756 /nfs/dbraw/zinc/23/37/56/938233756.db2.gz QVJVESBGROJTGE-GOSISDBHSA-N 1 1 277.371 3.290 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC001559865201 938237610 /nfs/dbraw/zinc/23/76/10/938237610.db2.gz ILUTXIPPMPOPLI-CMPLNLGQSA-N 1 1 265.319 3.383 20 30 CGEDMO C=CCCCCC[N@@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC001560082872 938243486 /nfs/dbraw/zinc/24/34/86/938243486.db2.gz IWDOFCMIOKGMGC-GFCCVEGCSA-N 1 1 265.319 3.386 20 30 CGEDMO C=CCCCCC[N@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC001560082872 938243487 /nfs/dbraw/zinc/24/34/87/938243487.db2.gz IWDOFCMIOKGMGC-GFCCVEGCSA-N 1 1 265.319 3.386 20 30 CGEDMO CCCCCCCCCC[N@H+]1CC[C@H](c2nn[nH]n2)C1 ZINC001560101806 938244064 /nfs/dbraw/zinc/24/40/64/938244064.db2.gz VWXRSFXBHKOOPB-AWEZNQCLSA-N 1 1 279.432 3.130 20 30 CGEDMO C=CCC[C@@H]1CCC[N@@H+]1Cc1nc([C@H](C)OCC)no1 ZINC001560200335 938246647 /nfs/dbraw/zinc/24/66/47/938246647.db2.gz UCEAIJTUDGTPDI-QWHCGFSZSA-N 1 1 279.384 3.098 20 30 CGEDMO C=CCCC[N@H+](CC)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC001560204538 938246970 /nfs/dbraw/zinc/24/69/70/938246970.db2.gz OUYCRSRIHNAJAF-RYUDHWBXSA-N 1 1 265.319 3.384 20 30 CGEDMO C#C[C@@H]1CCCC[N@@H+]1Cc1cccc(OC(F)F)c1 ZINC001560208918 938247385 /nfs/dbraw/zinc/24/73/85/938247385.db2.gz IAELRGOAEQZCBD-CYBMUJFWSA-N 1 1 265.303 3.276 20 30 CGEDMO C[N@@H+](CC1CCC(C#N)CC1)C[C@]12CCC[C@H]1OCC2 ZINC001560235650 938248375 /nfs/dbraw/zinc/24/83/75/938248375.db2.gz RCSGDBARKAPMCH-BHUNQDJPSA-N 1 1 276.424 3.207 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1F)C[C@]12CCC[C@H]1OCC2 ZINC001560235321 938248467 /nfs/dbraw/zinc/24/84/67/938248467.db2.gz HLOGRLNIAYHFCJ-NVXWUHKLSA-N 1 1 288.366 3.088 20 30 CGEDMO CNc1ccc(C)cc1C[N@H+](CCC#N)CC(C)C ZINC001560718195 938272110 /nfs/dbraw/zinc/27/21/10/938272110.db2.gz LQPOUFOGQDPFRP-UHFFFAOYSA-N 1 1 259.397 3.408 20 30 CGEDMO CNc1ccc(C)cc1C[N@@H+](CCC#N)CC(C)C ZINC001560718195 938272112 /nfs/dbraw/zinc/27/21/12/938272112.db2.gz LQPOUFOGQDPFRP-UHFFFAOYSA-N 1 1 259.397 3.408 20 30 CGEDMO C=CCC[C@H]([NH2+][C@H](C)CC1CCCC1)C(=O)OCC ZINC001560836784 938278661 /nfs/dbraw/zinc/27/86/61/938278661.db2.gz FJSIEZKBZKJMEK-HIFRSBDPSA-N 1 1 267.413 3.443 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+]([C@@H](C)c2ncc(C(=O)OC)s2)C1 ZINC001560924149 938284413 /nfs/dbraw/zinc/28/44/13/938284413.db2.gz ZYYNTVPMMSRQFF-RYUDHWBXSA-N 1 1 294.420 3.279 20 30 CGEDMO C=CC[C@H]1CCC[N@H+]([C@@H](C)c2ncc(C(=O)OC)s2)C1 ZINC001560924149 938284414 /nfs/dbraw/zinc/28/44/14/938284414.db2.gz ZYYNTVPMMSRQFF-RYUDHWBXSA-N 1 1 294.420 3.279 20 30 CGEDMO CSc1ccc(C[NH2+]Cc2ncccc2F)cc1C#N ZINC001561006497 938289051 /nfs/dbraw/zinc/28/90/51/938289051.db2.gz SMSIYOKTGGXQSZ-UHFFFAOYSA-N 1 1 287.363 3.104 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@@H]1CCC ZINC001496732402 957727453 /nfs/dbraw/zinc/72/74/53/957727453.db2.gz ASNJGSCALJPPAL-JKSUJKDBSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](CC/C=C\CC)C1 ZINC001317139667 960432118 /nfs/dbraw/zinc/43/21/18/960432118.db2.gz PPAOHYAJMZBJHW-XITLMJRVSA-N 1 1 292.467 3.383 20 30 CGEDMO C=CCCC(=O)N[C@H]1CC[N@H+](CC(=C)C)CC(C)(C)C1 ZINC001566128217 960557855 /nfs/dbraw/zinc/55/78/55/960557855.db2.gz OPZVXOVYPAZMCA-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)/C(C)=C/C)C1 ZINC001566734956 960576284 /nfs/dbraw/zinc/57/62/84/960576284.db2.gz FICCJILFRGCSQV-KBHCHJSJSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CC(C)(C)C(=O)N(C)C[C@@H]1CC[N@H+]1CC1CCCCC1 ZINC001565822658 960830814 /nfs/dbraw/zinc/83/08/14/960830814.db2.gz KLMKZKYBBQMAEH-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC=CCC2)[C@H]1C ZINC001566099250 960880969 /nfs/dbraw/zinc/88/09/69/960880969.db2.gz DILVRXRYXQAZJS-ZACQAIPSSA-N 1 1 290.451 3.278 20 30 CGEDMO C=CC(C)(C)CC(=O)N1CCCC[C@H]1C[N@H+](C)CC(=C)C ZINC001566122092 960894307 /nfs/dbraw/zinc/89/43/07/960894307.db2.gz JPGGUCLUPUOHOI-INIZCTEOSA-N 1 1 292.467 3.478 20 30 CGEDMO C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C1CCCCC1 ZINC001566117889 960894479 /nfs/dbraw/zinc/89/44/79/960894479.db2.gz VOOSWSWTBWYNTQ-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)C(C)(C)C)CC(C)(C)C1 ZINC001566129979 960895753 /nfs/dbraw/zinc/89/57/53/960895753.db2.gz MKPARMLWNHAUGE-LSDHHAIUSA-N 1 1 294.483 3.461 20 30 CGEDMO C#CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)CC(C)(C)CC ZINC001566122448 960898645 /nfs/dbraw/zinc/89/86/45/960898645.db2.gz YJJLPFDMANZNLO-INIZCTEOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCCNC(=O)[C@H]1C[C@H]1C1CCCC1 ZINC001566570529 960961648 /nfs/dbraw/zinc/96/16/48/960961648.db2.gz JQOAPUCAONIRFW-IRXDYDNUSA-N 1 1 292.467 3.217 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](NC(=O)C2(CC)CC2)C1 ZINC001566672211 960969546 /nfs/dbraw/zinc/96/95/46/960969546.db2.gz IXFRJKPRZSKBGQ-OAHLLOKOSA-N 1 1 280.456 3.338 20 30 CGEDMO C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)C)C1 ZINC001566737213 960996196 /nfs/dbraw/zinc/99/61/96/960996196.db2.gz YWSFRFYBCDUMDH-HOTGVXAUSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H](CNC(=O)C[C@H]2C=CCC2)C1 ZINC001566866571 961038815 /nfs/dbraw/zinc/03/88/15/961038815.db2.gz ZRZKHRVKMDAYFY-IRXDYDNUSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCCCC)C1 ZINC001566958493 961077869 /nfs/dbraw/zinc/07/78/69/961077869.db2.gz QBMIHSGTWXDYJL-CVEARBPZSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@@H+]1CC(=C)C ZINC001566955349 961078240 /nfs/dbraw/zinc/07/82/40/961078240.db2.gz LJWNKTXZGHLXRU-IRXDYDNUSA-N 1 1 290.451 3.374 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCC1(C)C ZINC001567257893 961155842 /nfs/dbraw/zinc/15/58/42/961155842.db2.gz SAJITPFDRNRWOD-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001567283497 961262983 /nfs/dbraw/zinc/26/29/83/961262983.db2.gz FKDDNASIJINBCL-MRXNPFEDSA-N 1 1 278.440 3.137 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)C1(F)CCCC1 ZINC001567337161 961294453 /nfs/dbraw/zinc/29/44/53/961294453.db2.gz AISBONSJHFMZKR-AWEZNQCLSA-N 1 1 284.419 3.062 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001567378945 961303706 /nfs/dbraw/zinc/30/37/06/961303706.db2.gz LJQUJYKSMHPOBZ-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)=C1CCCC1 ZINC001567360985 961312235 /nfs/dbraw/zinc/31/22/35/961312235.db2.gz IVXSWFBBBFECCY-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](CCC)CC(C)C ZINC001567386591 961315330 /nfs/dbraw/zinc/31/53/30/961315330.db2.gz JPTPHVNQOQNQQC-DLBZAZTESA-N 1 1 292.467 3.053 20 30 CGEDMO C=CCC[N@@H+](CCC)CCNC(=O)[C@H]1CCC[C@@H](C)C1 ZINC001567429241 961342395 /nfs/dbraw/zinc/34/23/95/961342395.db2.gz NPKPAAWOZKEXTK-CVEARBPZSA-N 1 1 280.456 3.217 20 30 CGEDMO C=C(C)CC[N@H+](CCNC(=O)[C@]1(C)CCC[C@@H]1C)C1CC1 ZINC001567449485 961348052 /nfs/dbraw/zinc/34/80/52/961348052.db2.gz ZOLDUICOZWMWOL-MAUKXSAKSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCCC[N@@H+](CCNC(=O)[C@@H]1CCCC12CC2)C1CC1 ZINC001567444815 961352898 /nfs/dbraw/zinc/35/28/98/961352898.db2.gz ODHXASDROQCKJA-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=C)C ZINC001567674946 961387840 /nfs/dbraw/zinc/38/78/40/961387840.db2.gz YGMRWTOXOLKRGY-IYBDPMFKSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCC1(C(=O)NCC[C@@H]2CC[N@H+](CC(C)C)C2)CCC1 ZINC001567707996 961401857 /nfs/dbraw/zinc/40/18/57/961401857.db2.gz KDNJOPZWUPCVKH-MRXNPFEDSA-N 1 1 292.467 3.217 20 30 CGEDMO C=Cc1ccc(C(=O)NCC[C@H]2CC[N@H+](CC(=C)C)C2)cc1 ZINC001567708769 961403096 /nfs/dbraw/zinc/40/30/96/961403096.db2.gz ABVFKGVEEQHLAV-KRWDZBQOSA-N 1 1 298.430 3.348 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](CCNC(=O)c2ccsc2Cl)C1 ZINC001567710999 961406010 /nfs/dbraw/zinc/40/60/10/961406010.db2.gz CKDSSJIJHSLIQZ-LLVKDONJSA-N 1 1 298.839 3.029 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](CC)CC(C)C)C1 ZINC001567711369 961406083 /nfs/dbraw/zinc/40/60/83/961406083.db2.gz ACFNWLZWWWILGA-CVEARBPZSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](CCNC(=O)c2sccc2C)C1 ZINC001567691800 961406212 /nfs/dbraw/zinc/40/62/12/961406212.db2.gz WWWSVGKCBDOWSX-CQSZACIVSA-N 1 1 292.448 3.074 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](CCNC(=O)CC2(C)CCCCC2)C1 ZINC001567703589 961408534 /nfs/dbraw/zinc/40/85/34/961408534.db2.gz WLKPCWVAWHDSIG-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(C)cs2)C1 ZINC001567727283 961417919 /nfs/dbraw/zinc/41/79/19/961417919.db2.gz FQLBQHZDUCEOFU-CQSZACIVSA-N 1 1 292.448 3.027 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CC[C@H](C[N@@H+](C)CC=C(C)C)C1 ZINC001567735715 961418728 /nfs/dbraw/zinc/41/87/28/961418728.db2.gz FYPVMAMLLMXPMG-DLBZAZTESA-N 1 1 292.467 3.335 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)CCCCC)C1 ZINC001567780239 961427831 /nfs/dbraw/zinc/42/78/31/961427831.db2.gz YNXOIGWICUNONW-HNNXBMFYSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CCCCC(=O)NC1C[NH+](CC/C=C/c2ccccc2)C1 ZINC001567804748 961438323 /nfs/dbraw/zinc/43/83/23/961438323.db2.gz AMRIFMCOBPPNDS-XYOKQWHBSA-N 1 1 298.430 3.247 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC001567874320 961450772 /nfs/dbraw/zinc/45/07/72/961450772.db2.gz PQNSPWFRNCWQRG-INIZCTEOSA-N 1 1 276.424 3.034 20 30 CGEDMO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2C)C1 ZINC001567873969 961451075 /nfs/dbraw/zinc/45/10/75/961451075.db2.gz HCSKXYBEZTWRKX-KRWDZBQOSA-N 1 1 286.419 3.042 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)CCC)C1 ZINC001567903550 961451798 /nfs/dbraw/zinc/45/17/98/961451798.db2.gz YHSANSMNSARRLU-OAHLLOKOSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@H](N(CC)C(=O)C2CC2)C1 ZINC001567931163 961460095 /nfs/dbraw/zinc/46/00/95/961460095.db2.gz YDYGFOIVYCLGOW-INIZCTEOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001568483816 961589786 /nfs/dbraw/zinc/58/97/86/961589786.db2.gz BTKXLOFFCAWZJR-MRXNPFEDSA-N 1 1 278.440 3.089 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@H]1CCCC12CC2 ZINC001568486791 961600691 /nfs/dbraw/zinc/60/06/91/961600691.db2.gz HFYIWTSJGPNDBC-JKSUJKDBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)CCN(C)C(=O)c1c[nH]c2ccccc12 ZINC001568488915 961600771 /nfs/dbraw/zinc/60/07/71/961600771.db2.gz HJCQQFYUEUUGMQ-UHFFFAOYSA-N 1 1 299.418 3.138 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2CN(C(=O)CCCCC)CC[C@H]21 ZINC001568508603 961606820 /nfs/dbraw/zinc/60/68/20/961606820.db2.gz NMZKSJDGRIJHMZ-JKSUJKDBSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(CC)CC)CC[C@H]21 ZINC001568507284 961608497 /nfs/dbraw/zinc/60/84/97/961608497.db2.gz ATKOZCMQMFEEIZ-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(C)c(C)c1 ZINC001569149898 961707994 /nfs/dbraw/zinc/70/79/94/961707994.db2.gz NIVJWGNMRVDCRC-INIZCTEOSA-N 1 1 288.435 3.320 20 30 CGEDMO C=CCC1(C(=O)N[C@H](C)C[N@@H+](C)CCC2CC2)CCCC1 ZINC001569155968 961711287 /nfs/dbraw/zinc/71/12/87/961711287.db2.gz RUVFQJYYAWBYSK-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)[C@@]1(C)CC=C(C)CC1 ZINC001569383806 961747915 /nfs/dbraw/zinc/74/79/15/961747915.db2.gz XZVVTTCWFXKLNA-AEFFLSMTSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](CC)CCCC)C1 ZINC001569630355 961807523 /nfs/dbraw/zinc/80/75/23/961807523.db2.gz YBQDUVBWAPNOER-DOTOQJQBSA-N 1 1 280.456 3.360 20 30 CGEDMO C#CCCCCC(=O)N[C@]1(C)CC[N@H+](CCCC(C)C)C1 ZINC001569636127 961811696 /nfs/dbraw/zinc/81/16/96/961811696.db2.gz WOWLRPNWQUPTBY-GOSISDBHSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@](C)(NC(=O)C/C=C(/C)C=C)C1 ZINC001569644741 961815249 /nfs/dbraw/zinc/81/52/49/961815249.db2.gz OUFOQPLVLWQZHX-KAKTVLCNSA-N 1 1 276.424 3.056 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@@](C)(CNC(=O)CCCF)C1 ZINC001569718859 961832449 /nfs/dbraw/zinc/83/24/49/961832449.db2.gz BCGLSXNPYREVKI-WBVHZDCISA-N 1 1 298.446 3.309 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)C2(C)CCCC2)C1 ZINC001569718825 961834952 /nfs/dbraw/zinc/83/49/52/961834952.db2.gz AXHIRQAVRNUYFI-QGZVFWFLSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@]2(C)C=CCC2)C1 ZINC001569720377 961838536 /nfs/dbraw/zinc/83/85/36/961838536.db2.gz OYDVTWJERCWOEC-ZWKOTPCHSA-N 1 1 290.451 3.137 20 30 CGEDMO C=CCCCC(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)CCC=C)C[C@@H]2C1 ZINC001569878847 961855294 /nfs/dbraw/zinc/85/52/94/961855294.db2.gz NHZFVFCJUSLDSQ-YESZJQIVSA-N 1 1 290.451 3.088 20 30 CGEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)CC=C)C2 ZINC001569860741 961862821 /nfs/dbraw/zinc/86/28/21/961862821.db2.gz ZFTVDIRVRPXGEH-MUJYYYPQSA-N 1 1 290.451 3.134 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCC ZINC001569913242 961869535 /nfs/dbraw/zinc/86/95/35/961869535.db2.gz PJQSKSUUZSVNQJ-CVEARBPZSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC2(C)C)CC1 ZINC001570182239 961929554 /nfs/dbraw/zinc/92/95/54/961929554.db2.gz YOECHPDJFKMOLE-JKSUJKDBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)C(C)=C3CCC3)cc2C1 ZINC001570312370 961941873 /nfs/dbraw/zinc/94/18/73/961941873.db2.gz CJZOCGUZXDGUMK-UHFFFAOYSA-N 1 1 296.414 3.305 20 30 CGEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)C(C)=C3CCC3)cc2C1 ZINC001570312370 961941880 /nfs/dbraw/zinc/94/18/80/961941880.db2.gz CJZOCGUZXDGUMK-UHFFFAOYSA-N 1 1 296.414 3.305 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)CCCCCC)C(C)(C)C1 ZINC001570399679 961960020 /nfs/dbraw/zinc/96/00/20/961960020.db2.gz HZMFLIKXMGDEEU-INIZCTEOSA-N 1 1 292.467 3.197 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)CCC)C(C)(C)C1 ZINC001570397436 961961345 /nfs/dbraw/zinc/96/13/45/961961345.db2.gz IHUJFPNQXCGPFS-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)C=C(C)C)C(C)(C)C1 ZINC001570389165 961964407 /nfs/dbraw/zinc/96/44/07/961964407.db2.gz SXLPVAMEQTUYDT-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO CC#CC[N@H+](CC)CC1CCN(C(=O)CC(C)(C)C)CC1 ZINC001570499977 961975281 /nfs/dbraw/zinc/97/52/81/961975281.db2.gz IMJQJIDKFSXRQA-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)/C=C(\C)C1CC1 ZINC001570525255 961983110 /nfs/dbraw/zinc/98/31/10/961983110.db2.gz BBLFQQBJLWCPPB-OKACTXMXSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H]1C[N@@H+](C)CC1CCCC1 ZINC001570539086 961985135 /nfs/dbraw/zinc/98/51/35/961985135.db2.gz XMRJMNHHRSQJDX-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)c1cccc(F)c1Cl ZINC001570738605 962076852 /nfs/dbraw/zinc/07/68/52/962076852.db2.gz ZJWGVXJKCADWSZ-NSHDSACASA-N 1 1 298.789 3.105 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)SC ZINC001570818660 962095153 /nfs/dbraw/zinc/09/51/53/962095153.db2.gz WXRWJMABUUNUAK-HUUCEWRRSA-N 1 1 298.496 3.065 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)CC(C)C)C(C)(C)C1 ZINC001570907465 962108861 /nfs/dbraw/zinc/10/88/61/962108861.db2.gz HDWCLGVBTHSZHV-JKSUJKDBSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCCC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC001570953038 962109304 /nfs/dbraw/zinc/10/93/04/962109304.db2.gz WJFPSUXCQODPLH-PHZGNYQRSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)CC2(C)CCCCC2)C(C)(C)C1 ZINC001570898789 962109475 /nfs/dbraw/zinc/10/94/75/962109475.db2.gz BCKUQNGZEWLRCK-OAHLLOKOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](CC=C(C)C)CC1(C)C ZINC001570905076 962110432 /nfs/dbraw/zinc/11/04/32/962110432.db2.gz MSLHKYTXPAHKGV-OAHLLOKOSA-N 1 1 292.467 3.382 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1CCC[N@@H+](CCC2CC2)[C@H]1C ZINC001571521454 962171083 /nfs/dbraw/zinc/17/10/83/962171083.db2.gz RTTVJUXTMVULAA-HOCLYGCPSA-N 1 1 292.467 3.358 20 30 CGEDMO C#CCC[N@H+](C)CCN(C(=O)C[C@H]1CC[C@@H](C)C1)C(C)C ZINC001571614018 962188075 /nfs/dbraw/zinc/18/80/75/962188075.db2.gz RJRIUNNZHZXJAH-SJORKVTESA-N 1 1 292.467 3.005 20 30 CGEDMO C#CC[C@@]1(C(=O)O[C@@H](C)c2ccc(Cl)cc2)CCC[NH2+]1 ZINC001574525229 962313873 /nfs/dbraw/zinc/31/38/73/962313873.db2.gz GABHGEMJLCMWQG-LRDDRELGSA-N 1 1 291.778 3.090 20 30 CGEDMO C#CCCCCCC[NH2+][C@H]1CC[C@H](c2c[nH]nn2)CC1 ZINC001574883358 962328038 /nfs/dbraw/zinc/32/80/38/962328038.db2.gz TXLGNVILQPWEQU-SHTZXODSSA-N 1 1 274.412 3.004 20 30 CGEDMO C=CC(C)(C)CC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001583344773 962795219 /nfs/dbraw/zinc/79/52/19/962795219.db2.gz RHQZGQSXHOQILO-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CC(C)(C)CC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001583344772 962797105 /nfs/dbraw/zinc/79/71/05/962797105.db2.gz RHQZGQSXHOQILO-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[N@@H+]2C1 ZINC001586904871 963149891 /nfs/dbraw/zinc/14/98/91/963149891.db2.gz XWUJGKBDBBYNKC-ARFHVFGLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)c1ccc(C[NH+](C)C)o1 ZINC001586902554 963150131 /nfs/dbraw/zinc/15/01/31/963150131.db2.gz AEXCVXRXPDYVEQ-UHFFFAOYSA-N 1 1 278.396 3.063 20 30 CGEDMO CCOc1ccc([C@@H](C)[NH2+]C[C@H](C#N)CCC#N)cc1 ZINC000589839395 346814303 /nfs/dbraw/zinc/81/43/03/346814303.db2.gz CNTSASJVUCPIGW-KGLIPLIRSA-N 1 1 271.364 3.179 20 30 CGEDMO C[C@@H](Nc1ccc(C#N)cn1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000273036465 192027139 /nfs/dbraw/zinc/02/71/39/192027139.db2.gz VPJCWIRDXCRSRF-HIFRSBDPSA-N 1 1 284.407 3.018 20 30 CGEDMO C[C@H](Nc1ccc(C#N)cn1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000273036463 192027554 /nfs/dbraw/zinc/02/75/54/192027554.db2.gz VPJCWIRDXCRSRF-DZGCQCFKSA-N 1 1 284.407 3.018 20 30 CGEDMO N#Cc1csc(C[N@H+]2CC[C@@H](C3CCCC3)C2)n1 ZINC000335504460 212185996 /nfs/dbraw/zinc/18/59/96/212185996.db2.gz TYGMUWCMZXBNSU-GFCCVEGCSA-N 1 1 261.394 3.027 20 30 CGEDMO Cc1ccccc1C[N@H+]1CCCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000590154554 346832648 /nfs/dbraw/zinc/83/26/48/346832648.db2.gz OIPNLVOCZYWYMN-IEBWSBKVSA-N 1 1 297.446 3.195 20 30 CGEDMO Cc1ccccc1CN1CCC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000590154554 346832651 /nfs/dbraw/zinc/83/26/51/346832651.db2.gz OIPNLVOCZYWYMN-IEBWSBKVSA-N 1 1 297.446 3.195 20 30 CGEDMO Cc1ccccc1CN1CCC[N@H+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000590154554 346832654 /nfs/dbraw/zinc/83/26/54/346832654.db2.gz OIPNLVOCZYWYMN-IEBWSBKVSA-N 1 1 297.446 3.195 20 30 CGEDMO CC[N@@H+](Cc1cc2cc(Cl)cnc2o1)C[C@H](C)C#N ZINC000590638788 346857740 /nfs/dbraw/zinc/85/77/40/346857740.db2.gz OXYFQNVEXHTQHH-SNVBAGLBSA-N 1 1 277.755 3.463 20 30 CGEDMO CC[N@H+](Cc1cc2cc(Cl)cnc2o1)C[C@H](C)C#N ZINC000590638788 346857743 /nfs/dbraw/zinc/85/77/43/346857743.db2.gz OXYFQNVEXHTQHH-SNVBAGLBSA-N 1 1 277.755 3.463 20 30 CGEDMO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)c2noc(COCC)n2)C1 ZINC000651814223 398291980 /nfs/dbraw/zinc/29/19/80/398291980.db2.gz NNRCGOJGGKEGBX-JHJVBQTASA-N 1 1 279.384 3.002 20 30 CGEDMO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ncn(-c3ccccc3)n2)C1 ZINC000651817484 398292231 /nfs/dbraw/zinc/29/22/31/398292231.db2.gz NIOZSRMDQWKGPL-CABCVRRESA-N 1 1 282.391 3.102 20 30 CGEDMO C[C@H]1[C@H](CO)CCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000591056170 346897532 /nfs/dbraw/zinc/89/75/32/346897532.db2.gz FOQZFFDBYAQMDX-HOCLYGCPSA-N 1 1 286.419 3.081 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](C3CCC3)C2)cc1F ZINC000591063383 346898092 /nfs/dbraw/zinc/89/80/92/346898092.db2.gz SRUCUFQKWJTVON-HNNXBMFYSA-N 1 1 258.340 3.319 20 30 CGEDMO CC[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CC1)c1c(C)noc1C ZINC000330207122 529581189 /nfs/dbraw/zinc/58/11/89/529581189.db2.gz ADHRZNADYMHHOA-KBPBESRZSA-N 1 1 291.395 3.326 20 30 CGEDMO N#CC1(C[NH2+]Cc2nccc3ccccc32)CCC1 ZINC000591357734 346917180 /nfs/dbraw/zinc/91/71/80/346917180.db2.gz LACGGWAJBHASNJ-UHFFFAOYSA-N 1 1 251.333 3.018 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1Cc2ccccc2N(C)C(=O)C1 ZINC000623262140 349774300 /nfs/dbraw/zinc/77/43/00/349774300.db2.gz PUBXISVXQTZSMP-AWEZNQCLSA-N 1 1 272.392 3.210 20 30 CGEDMO C[C@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(C#N)o1 ZINC000294998632 199291576 /nfs/dbraw/zinc/29/15/76/199291576.db2.gz LCQWIGYFSLVIMZ-UWVGGRQHSA-N 1 1 272.270 3.314 20 30 CGEDMO C[C@H]1C[C@@H](C(F)(F)F)CC[N@H+]1Cc1ccc(C#N)o1 ZINC000294998632 199291578 /nfs/dbraw/zinc/29/15/78/199291578.db2.gz LCQWIGYFSLVIMZ-UWVGGRQHSA-N 1 1 272.270 3.314 20 30 CGEDMO CC[N@@H+](CCc1ccccc1)Cc1ccncc1C#N ZINC000592060510 346958574 /nfs/dbraw/zinc/95/85/74/346958574.db2.gz RFLHTTSCOCYKEP-UHFFFAOYSA-N 1 1 265.360 3.018 20 30 CGEDMO N#Cc1cnccc1C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000592099760 346962537 /nfs/dbraw/zinc/96/25/37/346962537.db2.gz SZCYYZZZSZYNGO-QGZVFWFLSA-N 1 1 263.344 3.194 20 30 CGEDMO Cc1ccc(C)n1C1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000592066398 346958861 /nfs/dbraw/zinc/95/88/61/346958861.db2.gz ADXCCPPRHYFLTA-UHFFFAOYSA-N 1 1 294.402 3.209 20 30 CGEDMO CC(C)C[N@@H+](Cc1ccncc1C#N)C1CCCC1 ZINC000592068144 346959598 /nfs/dbraw/zinc/95/95/98/346959598.db2.gz MVVOLSCPWGVYAH-UHFFFAOYSA-N 1 1 257.381 3.354 20 30 CGEDMO CC(C)N(CC1(C#N)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000592154443 346967660 /nfs/dbraw/zinc/96/76/60/346967660.db2.gz STTSAULUJKZTBL-GOSISDBHSA-N 1 1 297.446 3.275 20 30 CGEDMO Cc1ccc(C2([NH2+]Cc3ccncc3C#N)CCC2)cc1 ZINC000592189863 346970442 /nfs/dbraw/zinc/97/04/42/346970442.db2.gz YCYONZQPVNBXHK-UHFFFAOYSA-N 1 1 277.371 3.431 20 30 CGEDMO C[C@H](c1ccccn1)[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000128090429 187351343 /nfs/dbraw/zinc/35/13/43/187351343.db2.gz VTSNUSROWMNVOF-CQSZACIVSA-N 1 1 281.359 3.025 20 30 CGEDMO CC(C)=CCC[C@@H](C)CC[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592521802 346995492 /nfs/dbraw/zinc/99/54/92/346995492.db2.gz CHESCNQSPZSSPB-CVEARBPZSA-N 1 1 264.413 3.109 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000623856264 349897284 /nfs/dbraw/zinc/89/72/84/349897284.db2.gz QLWNIJAUCFBJPO-HOCLYGCPSA-N 1 1 293.455 3.047 20 30 CGEDMO C[C@]1(c2cccc(F)c2)CC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000593041317 347031969 /nfs/dbraw/zinc/03/19/69/347031969.db2.gz QXMLQVKHVTWAEB-SFHVURJKSA-N 1 1 295.361 3.256 20 30 CGEDMO Cc1cc(C[N@@H+]2CCC[C@H](OC(C)C)C2)ccc1C#N ZINC000593054679 347033205 /nfs/dbraw/zinc/03/32/05/347033205.db2.gz YYUQFWNTQBZPOC-KRWDZBQOSA-N 1 1 272.392 3.256 20 30 CGEDMO N#Cc1c(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)cn2ccccc12 ZINC000593117871 347041976 /nfs/dbraw/zinc/04/19/76/347041976.db2.gz STCXNCUFISAICW-OAHLLOKOSA-N 1 1 287.313 3.042 20 30 CGEDMO C[C@@H]1C[N@H+](C[C@@H](C#N)CCC#N)CCc2ccc(F)cc21 ZINC000593117516 347042253 /nfs/dbraw/zinc/04/22/53/347042253.db2.gz YFOGCGMHIYVNFP-ZIAGYGMSSA-N 1 1 285.366 3.231 20 30 CGEDMO C[C@@H]1C[N@@H+](C[C@@H](C#N)CCC#N)CCc2ccc(F)cc21 ZINC000593117516 347042255 /nfs/dbraw/zinc/04/22/55/347042255.db2.gz YFOGCGMHIYVNFP-ZIAGYGMSSA-N 1 1 285.366 3.231 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccc(F)c(C#N)c1 ZINC000160785543 529993294 /nfs/dbraw/zinc/99/32/94/529993294.db2.gz GXQDLNPJWURGFY-UHFFFAOYSA-N 1 1 279.318 3.201 20 30 CGEDMO Oc1ccccc1/C=N/[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000005291566 344861417 /nfs/dbraw/zinc/86/14/17/344861417.db2.gz ZKSWOPXEHZPXIM-MIQLPHMESA-N 1 1 280.371 3.086 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000053422588 345121083 /nfs/dbraw/zinc/12/10/83/345121083.db2.gz ZPFOARIGCFYWFS-CQSZACIVSA-N 1 1 292.398 3.243 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000053422588 345121084 /nfs/dbraw/zinc/12/10/84/345121084.db2.gz ZPFOARIGCFYWFS-CQSZACIVSA-N 1 1 292.398 3.243 20 30 CGEDMO Cc1cc([C@H]2CCC[N@@H+]2CCOc2cccc(C#N)c2)no1 ZINC000051475836 345090851 /nfs/dbraw/zinc/09/08/51/345090851.db2.gz WAYWBINDFNIAIP-QGZVFWFLSA-N 1 1 297.358 3.071 20 30 CGEDMO Cc1cc([C@H]2CCC[N@H+]2CCOc2cccc(C#N)c2)no1 ZINC000051475836 345090856 /nfs/dbraw/zinc/09/08/56/345090856.db2.gz WAYWBINDFNIAIP-QGZVFWFLSA-N 1 1 297.358 3.071 20 30 CGEDMO C=C(C)C[N@H+]1CCc2cc(OCC)c(OCC)cc2C1 ZINC000057623087 345184376 /nfs/dbraw/zinc/18/43/76/345184376.db2.gz NOABSSACNSTPPT-UHFFFAOYSA-N 1 1 275.392 3.418 20 30 CGEDMO COc1ccc2c(c1)C[N@H+](Cc1ccc(C#N)cc1)CC2 ZINC000060042547 345210080 /nfs/dbraw/zinc/21/00/80/345210080.db2.gz IHGDWJZXZLQLOM-UHFFFAOYSA-N 1 1 278.355 3.125 20 30 CGEDMO Cc1ccc(SCC[N@@H+](C)C[C@H](C)C#N)cc1C ZINC000066471097 345297010 /nfs/dbraw/zinc/29/70/10/345297010.db2.gz BXOOCCLWXYFVRN-GFCCVEGCSA-N 1 1 262.422 3.487 20 30 CGEDMO Cc1ccc(SCC[N@H+](C)C[C@H](C)C#N)cc1C ZINC000066471097 345297015 /nfs/dbraw/zinc/29/70/15/345297015.db2.gz BXOOCCLWXYFVRN-GFCCVEGCSA-N 1 1 262.422 3.487 20 30 CGEDMO C[C@@H](c1ccco1)[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000072583582 345413697 /nfs/dbraw/zinc/41/36/97/345413697.db2.gz XZXRZVNVXFJSHT-ZDUSSCGKSA-N 1 1 297.358 3.173 20 30 CGEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCc1ccncc1 ZINC000076153970 345536352 /nfs/dbraw/zinc/53/63/52/345536352.db2.gz AVMCBAVNBSLHDG-MOPGFXCFSA-N 1 1 291.398 3.396 20 30 CGEDMO N#CCC[C@H](C#N)C[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000083690823 345727449 /nfs/dbraw/zinc/72/74/49/345727449.db2.gz KOXMYDTUHNEHQT-CQSZACIVSA-N 1 1 285.366 3.449 20 30 CGEDMO N#CCCC[C@@H]([NH3+])c1nc(C2CCCCCC2)no1 ZINC000573721826 334961015 /nfs/dbraw/zinc/96/10/15/334961015.db2.gz FLAKMQYIBMYINF-GFCCVEGCSA-N 1 1 262.357 3.201 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H](CNC(=O)CCC)C1 ZINC000091553966 345818533 /nfs/dbraw/zinc/81/85/33/345818533.db2.gz SBQOFCCANSUFTO-JKSUJKDBSA-N 1 1 280.456 3.360 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[N@H+](C)CCC2CC2)c1C#N ZINC000091073633 345803221 /nfs/dbraw/zinc/80/32/21/345803221.db2.gz BADPMQMPIRJTNQ-UHFFFAOYSA-N 1 1 294.402 3.284 20 30 CGEDMO Cc1nn(-c2ccccc2)c(C[N@@H+](C)CCC2CC2)c1C#N ZINC000091073633 345803224 /nfs/dbraw/zinc/80/32/24/345803224.db2.gz BADPMQMPIRJTNQ-UHFFFAOYSA-N 1 1 294.402 3.284 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@H](COCC)C1 ZINC000093838975 345889024 /nfs/dbraw/zinc/88/90/24/345889024.db2.gz MZILDDFAVTXAFT-HNNXBMFYSA-N 1 1 275.392 3.110 20 30 CGEDMO CC(C)[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1CCCCC1 ZINC000102768828 345918497 /nfs/dbraw/zinc/91/84/97/345918497.db2.gz ROIWXWULDZHBOT-QGZVFWFLSA-N 1 1 293.455 3.084 20 30 CGEDMO C[C@H]1CC[C@@H]([N@@H+](CCO)Cc2ccc(Cl)cc2C#N)C1 ZINC000351647758 219163244 /nfs/dbraw/zinc/16/32/44/219163244.db2.gz JPBCEKKMAHSWQZ-BLLLJJGKSA-N 1 1 292.810 3.195 20 30 CGEDMO CC(C)CCO[C@@H]1CC[N@@H+](CCC(C)(C)C#N)C1 ZINC000119726273 345994442 /nfs/dbraw/zinc/99/44/42/345994442.db2.gz QBPRRFRQIFHPGQ-CQSZACIVSA-N 1 1 252.402 3.063 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000121145297 346000597 /nfs/dbraw/zinc/00/05/97/346000597.db2.gz BYWLIXIOBTWCFI-ZDUSSCGKSA-N 1 1 294.826 3.415 20 30 CGEDMO C=CCCC[N@H+](C)CC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000121130739 346001001 /nfs/dbraw/zinc/00/10/01/346001001.db2.gz QIAPQMJNCUIGTK-UHFFFAOYSA-N 1 1 296.798 3.185 20 30 CGEDMO C=CCNC(=O)C[N@H+](CCCC)[C@H](C)c1ccccc1 ZINC000123361811 346009042 /nfs/dbraw/zinc/00/90/42/346009042.db2.gz DYNJHDOCWUNBQZ-OAHLLOKOSA-N 1 1 274.408 3.152 20 30 CGEDMO COc1cccc(C[N@H+](C)Cc2cccc(C#N)c2)c1F ZINC000165905630 346185384 /nfs/dbraw/zinc/18/53/84/346185384.db2.gz RMKPWTXEMZJHRC-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO COc1cccc(C[N@@H+](C)Cc2cccc(C#N)c2)c1F ZINC000165905630 346185388 /nfs/dbraw/zinc/18/53/88/346185388.db2.gz RMKPWTXEMZJHRC-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO C[C@@H]1C[C@@H](Nc2cccc(C#N)n2)C[N@H+]1Cc1ccccc1 ZINC000339217337 215019190 /nfs/dbraw/zinc/01/91/90/215019190.db2.gz LBMBXGQREKICFQ-RHSMWYFYSA-N 1 1 292.386 3.028 20 30 CGEDMO C=CC[C@H]1CC[C@@H]([NH2+][C@@H](C)C(=O)OC(C)(C)C)C1 ZINC000593584272 347092414 /nfs/dbraw/zinc/09/24/14/347092414.db2.gz ZWAIOBTUNPUNDD-RWMBFGLXSA-N 1 1 253.386 3.051 20 30 CGEDMO N#CC1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCCC1 ZINC000593650716 347099558 /nfs/dbraw/zinc/09/95/58/347099558.db2.gz YWWWNEFYTUQRHS-ALCCZGGFSA-N 1 1 285.347 3.282 20 30 CGEDMO CCOc1ccccc1OCC[N@H+]1CCC[C@@H](CC#N)C1 ZINC000397580522 346583725 /nfs/dbraw/zinc/58/37/25/346583725.db2.gz HLJJHDLEGIMGNX-HNNXBMFYSA-N 1 1 288.391 3.090 20 30 CGEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000397694428 346584147 /nfs/dbraw/zinc/58/41/47/346584147.db2.gz YKPRWDWRSKZXIX-LLVKDONJSA-N 1 1 250.292 3.090 20 30 CGEDMO N#CC[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000397694428 346584150 /nfs/dbraw/zinc/58/41/50/346584150.db2.gz YKPRWDWRSKZXIX-LLVKDONJSA-N 1 1 250.292 3.090 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000397851742 346585403 /nfs/dbraw/zinc/58/54/03/346585403.db2.gz RVKPUGXWWQUANQ-AWEZNQCLSA-N 1 1 265.360 3.360 20 30 CGEDMO CC(C)O[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000404723338 346600895 /nfs/dbraw/zinc/60/08/95/346600895.db2.gz WDJSMGNFCLGJMN-OAHLLOKOSA-N 1 1 276.355 3.087 20 30 CGEDMO CC(C)O[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000404723338 346600897 /nfs/dbraw/zinc/60/08/97/346600897.db2.gz WDJSMGNFCLGJMN-OAHLLOKOSA-N 1 1 276.355 3.087 20 30 CGEDMO Clc1ccccc1C#CC[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000560182131 346658558 /nfs/dbraw/zinc/65/85/58/346658558.db2.gz GRTNQEOJAVWQJZ-IAGOWNOFSA-N 1 1 289.806 3.335 20 30 CGEDMO Clc1ccccc1C#CC[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000560182131 346658561 /nfs/dbraw/zinc/65/85/61/346658561.db2.gz GRTNQEOJAVWQJZ-IAGOWNOFSA-N 1 1 289.806 3.335 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1cccc(OC)c1)c1ccc(F)cc1 ZINC000491513317 346628714 /nfs/dbraw/zinc/62/87/14/346628714.db2.gz BPGJHURLFZBLAJ-QGZVFWFLSA-N 1 1 269.319 3.298 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)o2)CCc2ccc(F)cc21 ZINC000593695335 347104740 /nfs/dbraw/zinc/10/47/40/347104740.db2.gz KZXZIGFODZYNOF-LBPRGKRZSA-N 1 1 284.334 3.452 20 30 CGEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CCCCC#N)C1 ZINC000594288122 347168751 /nfs/dbraw/zinc/16/87/51/347168751.db2.gz KMNKFTUWVPVSIF-OAHLLOKOSA-N 1 1 293.455 3.087 20 30 CGEDMO N#C[C@@H]1CC[C@H]([NH2+][C@H](Cc2ccccc2)c2ncco2)C1 ZINC000594055176 347145865 /nfs/dbraw/zinc/14/58/65/347145865.db2.gz JJERZHKBDTUWCE-OWCLPIDISA-N 1 1 281.359 3.240 20 30 CGEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CCCCC#N)C1 ZINC000593967741 347125577 /nfs/dbraw/zinc/12/55/77/347125577.db2.gz XNLZYNONPINGRF-NVXWUHKLSA-N 1 1 299.418 3.022 20 30 CGEDMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1ccc(C#N)cn1 ZINC000593972503 347127321 /nfs/dbraw/zinc/12/73/21/347127321.db2.gz SDPOKPPXGWCSSK-ZYHUDNBSSA-N 1 1 283.297 3.116 20 30 CGEDMO C[C@@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1ccc(C#N)cn1 ZINC000593972503 347127323 /nfs/dbraw/zinc/12/73/23/347127323.db2.gz SDPOKPPXGWCSSK-ZYHUDNBSSA-N 1 1 283.297 3.116 20 30 CGEDMO CC[N@@H+](Cc1ccc(C#N)cn1)[C@H]1CCCC[C@@H]1C ZINC000593976453 347128166 /nfs/dbraw/zinc/12/81/66/347128166.db2.gz PKACHXZRILKDAT-BBRMVZONSA-N 1 1 257.381 3.354 20 30 CGEDMO Cc1cccc([C@@H]2CC[N@@H+](Cc3ccc(C#N)cn3)C2)c1 ZINC000593976854 347128238 /nfs/dbraw/zinc/12/82/38/347128238.db2.gz JZSKJJRHSYLHHV-QGZVFWFLSA-N 1 1 277.371 3.251 20 30 CGEDMO N#CCCCOc1cccc(C[NH+]2CC3(CC3(F)F)C2)c1 ZINC000594609140 347202595 /nfs/dbraw/zinc/20/25/95/347202595.db2.gz QRWRQEVCSPFEJR-UHFFFAOYSA-N 1 1 292.329 3.210 20 30 CGEDMO CC(C)(C#N)c1ccc(CN[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000594496069 347178396 /nfs/dbraw/zinc/17/83/96/347178396.db2.gz YUOBTXVIEWWINN-QZTJIDSGSA-N 1 1 297.446 3.204 20 30 CGEDMO CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CCN3CCCC[C@H]23)cc1 ZINC000594496069 347178400 /nfs/dbraw/zinc/17/84/00/347178400.db2.gz YUOBTXVIEWWINN-QZTJIDSGSA-N 1 1 297.446 3.204 20 30 CGEDMO CC(C)(C#N)c1ccc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000594496412 347178752 /nfs/dbraw/zinc/17/87/52/347178752.db2.gz ZSBPUGTXHJLMJN-ROUUACIJSA-N 1 1 297.446 3.204 20 30 CGEDMO CC(C)(C#N)c1ccc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000594496412 347178754 /nfs/dbraw/zinc/17/87/54/347178754.db2.gz ZSBPUGTXHJLMJN-ROUUACIJSA-N 1 1 297.446 3.204 20 30 CGEDMO CC(C)(C#N)c1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000594496410 347178773 /nfs/dbraw/zinc/17/87/73/347178773.db2.gz ZSBPUGTXHJLMJN-MSOLQXFVSA-N 1 1 297.446 3.204 20 30 CGEDMO CC(C)(C#N)c1ccc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000594496410 347178774 /nfs/dbraw/zinc/17/87/74/347178774.db2.gz ZSBPUGTXHJLMJN-MSOLQXFVSA-N 1 1 297.446 3.204 20 30 CGEDMO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)CCN1C ZINC000594514117 347184538 /nfs/dbraw/zinc/18/45/38/347184538.db2.gz PKQNLZVNQAGDJR-PBHICJAKSA-N 1 1 285.435 3.060 20 30 CGEDMO C[C@@H]1C[C@@H](NCc2ccc(C(C)(C)C#N)cc2)CC[N@@H+]1C ZINC000594514117 347184541 /nfs/dbraw/zinc/18/45/41/347184541.db2.gz PKQNLZVNQAGDJR-PBHICJAKSA-N 1 1 285.435 3.060 20 30 CGEDMO C[C@@H]1C[C@@H](NCc2ccc(C(C)(C)C#N)cc2)CC[N@H+]1C ZINC000594514117 347184543 /nfs/dbraw/zinc/18/45/43/347184543.db2.gz PKQNLZVNQAGDJR-PBHICJAKSA-N 1 1 285.435 3.060 20 30 CGEDMO CC(C)N(CC[NH2+]Cc1ccc(C2(C#N)CC2)cc1)C(C)C ZINC000594916399 347228763 /nfs/dbraw/zinc/22/87/63/347228763.db2.gz DTOLZKMOJLJLGF-UHFFFAOYSA-N 1 1 299.462 3.450 20 30 CGEDMO CO[C@H](C[N@@H+](C)Cc1ccc(C#N)cc1)C1CCCC1 ZINC000595286733 347286299 /nfs/dbraw/zinc/28/62/99/347286299.db2.gz GTCKLAUNGGCBMS-QGZVFWFLSA-N 1 1 272.392 3.195 20 30 CGEDMO Cc1ccc([C@@H]2COCC[N@@H+]2CCc2ccc(C#N)cc2)o1 ZINC000595318462 347291137 /nfs/dbraw/zinc/29/11/37/347291137.db2.gz LOMYDDXNSOWHLH-KRWDZBQOSA-N 1 1 296.370 3.076 20 30 CGEDMO Cc1ccc([C@@H]2COCC[N@H+]2CCc2ccc(C#N)cc2)o1 ZINC000595318462 347291141 /nfs/dbraw/zinc/29/11/41/347291141.db2.gz LOMYDDXNSOWHLH-KRWDZBQOSA-N 1 1 296.370 3.076 20 30 CGEDMO C[C@@H](c1ccccn1)[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595393104 347298485 /nfs/dbraw/zinc/29/84/85/347298485.db2.gz WONPUGSCRIPKNX-AWEZNQCLSA-N 1 1 265.360 3.189 20 30 CGEDMO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)OC(C)(C)C ZINC000595603546 347324963 /nfs/dbraw/zinc/32/49/63/347324963.db2.gz OGFGKZSSIUJBLX-OLZOCXBDSA-N 1 1 253.386 3.053 20 30 CGEDMO CCCCN(CCCC)C(=O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595610482 347326198 /nfs/dbraw/zinc/32/61/98/347326198.db2.gz ZRDPKJBZUFEJIF-INIZCTEOSA-N 1 1 293.455 3.041 20 30 CGEDMO CCCCN(CCCC)C(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595610482 347326199 /nfs/dbraw/zinc/32/61/99/347326199.db2.gz ZRDPKJBZUFEJIF-INIZCTEOSA-N 1 1 293.455 3.041 20 30 CGEDMO C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595611015 347326399 /nfs/dbraw/zinc/32/63/99/347326399.db2.gz FXVWWLSYPAEOPZ-UONOGXRCSA-N 1 1 296.374 3.423 20 30 CGEDMO C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595611015 347326401 /nfs/dbraw/zinc/32/64/01/347326401.db2.gz FXVWWLSYPAEOPZ-UONOGXRCSA-N 1 1 296.374 3.423 20 30 CGEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595616372 347327406 /nfs/dbraw/zinc/32/74/06/347327406.db2.gz BIYWLZIZLWZWEZ-SUMWQHHRSA-N 1 1 270.376 3.120 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000595621410 347328798 /nfs/dbraw/zinc/32/87/98/347328798.db2.gz ULXCZKUNBCTLCJ-LBPRGKRZSA-N 1 1 296.773 3.484 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000595621410 347328800 /nfs/dbraw/zinc/32/88/00/347328800.db2.gz ULXCZKUNBCTLCJ-LBPRGKRZSA-N 1 1 296.773 3.484 20 30 CGEDMO Cc1ccc2c(c1)C[N@@H+](Cc1ccc(C#N)s1)CC2 ZINC000595656525 347333436 /nfs/dbraw/zinc/33/34/36/347333436.db2.gz AXHVLGCGZXPWGT-UHFFFAOYSA-N 1 1 268.385 3.487 20 30 CGEDMO Cc1ccc2c(c1)C[N@H+](Cc1ccc(C#N)s1)CC2 ZINC000595656525 347333440 /nfs/dbraw/zinc/33/34/40/347333440.db2.gz AXHVLGCGZXPWGT-UHFFFAOYSA-N 1 1 268.385 3.487 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](Cc2nc(C(=O)OCC)cs2)C1 ZINC000595658517 347334165 /nfs/dbraw/zinc/33/41/65/347334165.db2.gz KEOSLQOIXGJLBR-LBPRGKRZSA-N 1 1 294.420 3.108 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2nc(C(=O)OCC)cs2)C1 ZINC000595658517 347334168 /nfs/dbraw/zinc/33/41/68/347334168.db2.gz KEOSLQOIXGJLBR-LBPRGKRZSA-N 1 1 294.420 3.108 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2ccc(OC)c(C#N)c2)C1 ZINC000595661368 347335687 /nfs/dbraw/zinc/33/56/87/347335687.db2.gz ZPUMZHOHLKLZII-AWEZNQCLSA-N 1 1 270.376 3.355 20 30 CGEDMO N#CC1(CC[N@@H+]2CCC[C@](O)(C3CC3)C2)CCCCC1 ZINC000595749247 347349325 /nfs/dbraw/zinc/34/93/25/347349325.db2.gz JFQHIUYYBWZWRH-QGZVFWFLSA-N 1 1 276.424 3.087 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCC=C(c3ccco3)C2)cc1 ZINC000595485829 347310961 /nfs/dbraw/zinc/31/09/61/347310961.db2.gz YJVUOKGLOFPWGM-UHFFFAOYSA-N 1 1 278.355 3.483 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000595490439 347311495 /nfs/dbraw/zinc/31/14/95/347311495.db2.gz KYZOVPDENQGXCL-ZWKOTPCHSA-N 1 1 296.414 3.134 20 30 CGEDMO N#Cc1ccc(CC[N@H+]2CCC=C(c3cccnc3)C2)cc1 ZINC000595494909 347311711 /nfs/dbraw/zinc/31/17/11/347311711.db2.gz DJRJLLSHGJMXTP-UHFFFAOYSA-N 1 1 289.382 3.285 20 30 CGEDMO Cc1ccnc([C@H]2CC[N@@H+](CCc3ccc(C#N)cc3)C2)c1 ZINC000595521144 347315266 /nfs/dbraw/zinc/31/52/66/347315266.db2.gz RSCAEAYKDNFNNN-SFHVURJKSA-N 1 1 291.398 3.294 20 30 CGEDMO CC(C)[N@H+]1CCCC[C@@H]1COc1ccccc1C#N ZINC000596236863 347402321 /nfs/dbraw/zinc/40/23/21/347402321.db2.gz NDWVMXMPWAVPFF-OAHLLOKOSA-N 1 1 258.365 3.200 20 30 CGEDMO Cc1cc(NCC[C@H](C)F)c(C#N)c(NCC[C@@H](C)F)[nH+]1 ZINC000596242862 347403783 /nfs/dbraw/zinc/40/37/83/347403783.db2.gz BQYPPPHJDMSXAF-WDEREUQCSA-N 1 1 296.365 3.004 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c1 ZINC000595830186 347361744 /nfs/dbraw/zinc/36/17/44/347361744.db2.gz DGMZAUXPMRSCMI-QGZVFWFLSA-N 1 1 296.345 3.351 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)c1 ZINC000595830186 347361748 /nfs/dbraw/zinc/36/17/48/347361748.db2.gz DGMZAUXPMRSCMI-QGZVFWFLSA-N 1 1 296.345 3.351 20 30 CGEDMO CC(C)CC1([NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000595830500 347362079 /nfs/dbraw/zinc/36/20/79/347362079.db2.gz GIMAONSNFQKQSU-UHFFFAOYSA-N 1 1 273.336 3.135 20 30 CGEDMO CO[C@H](C[N@@H+]1CC[C@](C)(C#N)C1)c1ccc(Cl)cc1 ZINC000595845149 347367213 /nfs/dbraw/zinc/36/72/13/347367213.db2.gz YWVLQZMSOHUWIO-HUUCEWRRSA-N 1 1 278.783 3.263 20 30 CGEDMO CO[C@H](C[N@H+]1CC[C@](C)(C#N)C1)c1ccc(Cl)cc1 ZINC000595845149 347367215 /nfs/dbraw/zinc/36/72/15/347367215.db2.gz YWVLQZMSOHUWIO-HUUCEWRRSA-N 1 1 278.783 3.263 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccccc1C(=O)OC ZINC000595844426 347367535 /nfs/dbraw/zinc/36/75/35/347367535.db2.gz DUVGIXDCRCDFMG-IYBDPMFKSA-N 1 1 285.387 3.199 20 30 CGEDMO CC12CC(C1)C[N@@H+]2Cc1ccc(C#N)cc1OC(F)F ZINC000595917619 347372633 /nfs/dbraw/zinc/37/26/33/347372633.db2.gz ZMOIBRFVZDPBJG-UHFFFAOYSA-N 1 1 278.302 3.144 20 30 CGEDMO CC12CC(C1)C[N@H+]2Cc1ccc(C#N)cc1OC(F)F ZINC000595917619 347372634 /nfs/dbraw/zinc/37/26/34/347372634.db2.gz ZMOIBRFVZDPBJG-UHFFFAOYSA-N 1 1 278.302 3.144 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@H](c2ncc(C(=O)OC)s2)C1 ZINC000595921716 347372642 /nfs/dbraw/zinc/37/26/42/347372642.db2.gz WLGKCJMNWQWWCG-LBPRGKRZSA-N 1 1 294.420 3.075 20 30 CGEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)F)cc2)C1 ZINC000597174267 347544119 /nfs/dbraw/zinc/54/41/19/347544119.db2.gz ONWGHPGJWZZVEK-ZDUSSCGKSA-N 1 1 294.345 3.456 20 30 CGEDMO C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)CCN1C ZINC000597012193 347527719 /nfs/dbraw/zinc/52/77/19/347527719.db2.gz PDYUSLLFXOMUFO-CRAIPNDOSA-N 1 1 297.446 3.156 20 30 CGEDMO C[C@@H]1C[C@H](N(C)Cc2ccc(C3(C#N)CC3)cc2)CC[N@@H+]1C ZINC000597012193 347527731 /nfs/dbraw/zinc/52/77/31/347527731.db2.gz PDYUSLLFXOMUFO-CRAIPNDOSA-N 1 1 297.446 3.156 20 30 CGEDMO C[C@@H]1C[C@H](N(C)Cc2ccc(C3(C#N)CC3)cc2)CC[N@H+]1C ZINC000597012193 347527734 /nfs/dbraw/zinc/52/77/34/347527734.db2.gz PDYUSLLFXOMUFO-CRAIPNDOSA-N 1 1 297.446 3.156 20 30 CGEDMO N#CC1(c2ccc(C[N@H+]3CC[C@@H](C4CC4)C3)cc2)CC1 ZINC000597021418 347528745 /nfs/dbraw/zinc/52/87/45/347528745.db2.gz QIBAUCKJZQCKAY-MRXNPFEDSA-N 1 1 266.388 3.474 20 30 CGEDMO Cc1[nH+]cc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)n1C ZINC000597025533 347528941 /nfs/dbraw/zinc/52/89/41/347528941.db2.gz BUSIBHDIUHKOQV-ZWKOTPCHSA-N 1 1 294.402 3.000 20 30 CGEDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597108170 347535781 /nfs/dbraw/zinc/53/57/81/347535781.db2.gz BFRYPOOOKIVCGX-VKJFTORMSA-N 1 1 298.430 3.223 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)o1)C[C@H]1CCc2ccccc21 ZINC000597238288 347560826 /nfs/dbraw/zinc/56/08/26/347560826.db2.gz GFNCNWKJXMYWDL-CQSZACIVSA-N 1 1 266.344 3.313 20 30 CGEDMO COCCC1C[NH+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000597183999 347547068 /nfs/dbraw/zinc/54/70/68/347547068.db2.gz PUPAUQCGAMEZKE-UHFFFAOYSA-N 1 1 298.308 3.045 20 30 CGEDMO N#CCC1C[NH+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000597193608 347547414 /nfs/dbraw/zinc/54/74/14/347547414.db2.gz IHAZTURJXSFBJJ-UHFFFAOYSA-N 1 1 254.255 3.051 20 30 CGEDMO C[C@@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc(C#N)c1 ZINC000598966452 347701646 /nfs/dbraw/zinc/70/16/46/347701646.db2.gz XLXPOSGMBHVZGW-CZUORRHYSA-N 1 1 271.408 3.082 20 30 CGEDMO C[C@@H]([NH2+][C@@H]1CCN(C)C(C)(C)C1)c1cccc(C#N)c1 ZINC000598966452 347701651 /nfs/dbraw/zinc/70/16/51/347701651.db2.gz XLXPOSGMBHVZGW-CZUORRHYSA-N 1 1 271.408 3.082 20 30 CGEDMO C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000599071798 347713938 /nfs/dbraw/zinc/71/39/38/347713938.db2.gz TXKJMLASHPEZPS-QFBILLFUSA-N 1 1 297.446 3.257 20 30 CGEDMO C[N@@H+]1CCCC[C@@H](CN[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000599071798 347713940 /nfs/dbraw/zinc/71/39/40/347713940.db2.gz TXKJMLASHPEZPS-QFBILLFUSA-N 1 1 297.446 3.257 20 30 CGEDMO C[N@H+]1CCCC[C@@H](CN[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000599071798 347713942 /nfs/dbraw/zinc/71/39/42/347713942.db2.gz TXKJMLASHPEZPS-QFBILLFUSA-N 1 1 297.446 3.257 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)C[C@@H](O)CC(C)(C)C#N ZINC000598584683 347666090 /nfs/dbraw/zinc/66/60/90/347666090.db2.gz RSUUGZYQOWVKRY-ZDUSSCGKSA-N 1 1 278.421 3.037 20 30 CGEDMO C[N@H+](Cc1ccc(Cl)s1)C[C@H](O)CC(C)(C)C#N ZINC000598584698 347666234 /nfs/dbraw/zinc/66/62/34/347666234.db2.gz SCSWPCAXINENFR-SNVBAGLBSA-N 1 1 286.828 3.134 20 30 CGEDMO CC[N@H+](Cc1cccc(Cl)c1)C[C@@H](O)CC(C)(C)C#N ZINC000598586393 347666561 /nfs/dbraw/zinc/66/65/61/347666561.db2.gz STKASMKVRLHEKQ-HNNXBMFYSA-N 1 1 294.826 3.463 20 30 CGEDMO C[N@@H+](CCC1CCCCC1)C[C@@H](O)CC(C)(C)C#N ZINC000598590639 347667382 /nfs/dbraw/zinc/66/73/82/347667382.db2.gz RWKGZZDIOLPDGS-HNNXBMFYSA-N 1 1 266.429 3.189 20 30 CGEDMO CC(C)(C)[C@H]1CCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598592968 347668590 /nfs/dbraw/zinc/66/85/90/347668590.db2.gz PGGORRCUYDMAAE-GJZGRUSLSA-N 1 1 280.456 3.435 20 30 CGEDMO CC(C)C[C@H]1CCCC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598598374 347669148 /nfs/dbraw/zinc/66/91/48/347669148.db2.gz QKTYUVYLYHWBTG-HUUCEWRRSA-N 1 1 266.429 3.188 20 30 CGEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CC(C)(C)[C@@H]1c1ccccc1 ZINC000598598000 347669274 /nfs/dbraw/zinc/66/92/74/347669274.db2.gz LVPHVGFGRXVWFK-HOTGVXAUSA-N 1 1 286.419 3.370 20 30 CGEDMO C[C@@H](C1CCCCC1)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598614684 347671613 /nfs/dbraw/zinc/67/16/13/347671613.db2.gz RLUPBUPRUKUTEX-ZFWWWQNUSA-N 1 1 266.429 3.188 20 30 CGEDMO CCC(O)(CC)C[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000599673438 347764043 /nfs/dbraw/zinc/76/40/43/347764043.db2.gz OLKIWKGTVWNVIL-UHFFFAOYSA-N 1 1 280.799 3.195 20 30 CGEDMO C[C@]12CCCC[C@H]1C[N@H+]2CCOc1ccc(C#N)cc1 ZINC000599675531 347764354 /nfs/dbraw/zinc/76/43/54/347764354.db2.gz QPXAAISWHQPBQD-RDJZCZTQSA-N 1 1 270.376 3.202 20 30 CGEDMO N#CCCC[NH2+]C1(c2c(F)cccc2F)CCC1 ZINC000599692944 347766681 /nfs/dbraw/zinc/76/66/81/347766681.db2.gz GXTDOPFWAHKFNE-UHFFFAOYSA-N 1 1 250.292 3.237 20 30 CGEDMO Cc1ccc(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)cc1C#N ZINC000599421733 347743377 /nfs/dbraw/zinc/74/33/77/347743377.db2.gz PCYRQUVRZXJQNY-IAGOWNOFSA-N 1 1 284.403 3.256 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H](C)C1(F)F ZINC000599512427 347749477 /nfs/dbraw/zinc/74/94/77/347749477.db2.gz JRFRWIHUUXGMDX-TXEJJXNPSA-N 1 1 264.319 3.281 20 30 CGEDMO COc1ccc(C#N)cc1C[N@H+]1CCCC(F)(F)CC1 ZINC000599553216 347754301 /nfs/dbraw/zinc/75/43/01/347754301.db2.gz VERFAWRWYWNATA-UHFFFAOYSA-N 1 1 280.318 3.188 20 30 CGEDMO N#Cc1ccc(Br)c(C[NH+](C2CC2)C2CC2)c1 ZINC000599600438 347757322 /nfs/dbraw/zinc/75/73/22/347757322.db2.gz SXBPEXAARDFPHS-UHFFFAOYSA-N 1 1 291.192 3.448 20 30 CGEDMO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cnc(C2CC2)o1 ZINC000600156477 347785978 /nfs/dbraw/zinc/78/59/78/347785978.db2.gz OWQFGAQKTAQZDD-MRXNPFEDSA-N 1 1 279.343 3.201 20 30 CGEDMO C[N@@H+](CCS[C@H](C#N)C1CC1)Cc1ccccc1 ZINC000601081463 347865744 /nfs/dbraw/zinc/86/57/44/347865744.db2.gz NYFHKGSZAMZDNV-OAHLLOKOSA-N 1 1 260.406 3.154 20 30 CGEDMO CC(=O)Nc1cccc(C[NH2+]CC2(C#N)CCCCC2)c1 ZINC000601133076 347873174 /nfs/dbraw/zinc/87/31/74/347873174.db2.gz SUKDEYPHKAKVDC-UHFFFAOYSA-N 1 1 285.391 3.209 20 30 CGEDMO Cc1ncc([C@@H](C)[NH2+]Cc2ccccc2C#N)s1 ZINC000601150437 347875640 /nfs/dbraw/zinc/87/56/40/347875640.db2.gz ZYXRQNFYMJKJFL-SNVBAGLBSA-N 1 1 257.362 3.174 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000602430184 347956044 /nfs/dbraw/zinc/95/60/44/347956044.db2.gz IVMZGBFGTJNTLB-HUUCEWRRSA-N 1 1 297.406 3.200 20 30 CGEDMO COc1cc(C)c(C[N@@H+](C)C[C@@H](C)CCC#N)cc1OC ZINC000602433060 347957150 /nfs/dbraw/zinc/95/71/50/347957150.db2.gz OJQAJADOVXGGKE-ZDUSSCGKSA-N 1 1 290.407 3.384 20 30 CGEDMO COc1ccc(C[N@@H+](Cc2cccc(C#N)n2)C2CC2)cc1 ZINC000602437221 347957975 /nfs/dbraw/zinc/95/79/75/347957975.db2.gz RXQQNXKUUDDGHW-UHFFFAOYSA-N 1 1 293.370 3.126 20 30 CGEDMO CC(C)(C)C[C@@H]1CCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602454706 347961416 /nfs/dbraw/zinc/96/14/16/347961416.db2.gz RUUIQNUVTHSDSM-HNNXBMFYSA-N 1 1 257.381 3.354 20 30 CGEDMO CC[C@@H](C)[C@H](C)[N@@H+](Cc1cccc(C#N)n1)C1CC1 ZINC000602465377 347963000 /nfs/dbraw/zinc/96/30/00/347963000.db2.gz QCHYXUDKEIQFTJ-OLZOCXBDSA-N 1 1 257.381 3.352 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000602474335 347965070 /nfs/dbraw/zinc/96/50/70/347965070.db2.gz HAKWKKKHPBQWLC-RDBSUJKOSA-N 1 1 252.427 3.286 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1Cc2ccccc2OC[C@H]1C ZINC000602598717 347991032 /nfs/dbraw/zinc/99/10/32/347991032.db2.gz DUNHYCMEYMTNTC-ZIAGYGMSSA-N 1 1 258.365 3.209 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000602691040 348009902 /nfs/dbraw/zinc/00/99/02/348009902.db2.gz BDTBTVOCEAQUCK-KGLIPLIRSA-N 1 1 255.365 3.491 20 30 CGEDMO C[C@H](CCC#N)C[N@@H+]1C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC000602696815 348011322 /nfs/dbraw/zinc/01/13/22/348011322.db2.gz GSRPRHHQQRMVRN-QLFBSQMISA-N 1 1 294.439 3.226 20 30 CGEDMO CCn1cc(C[N@@H+](C[C@H](C)CCC#N)C(C)C)cn1 ZINC000602696795 348011458 /nfs/dbraw/zinc/01/14/58/348011458.db2.gz BVMVERVPMPMXPT-CQSZACIVSA-N 1 1 262.401 3.053 20 30 CGEDMO C[C@H](CCC#N)C[N@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC000602698352 348012030 /nfs/dbraw/zinc/01/20/30/348012030.db2.gz NSYDGOJGQCVTMQ-RBSFLKMASA-N 1 1 294.439 3.368 20 30 CGEDMO N#CC[C@@H]1CCC[N@@H+](C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000602708309 348014014 /nfs/dbraw/zinc/01/40/14/348014014.db2.gz ZLLQYJRSSNYYNS-DLBZAZTESA-N 1 1 283.419 3.139 20 30 CGEDMO N#Cc1c(F)cccc1C[N@@H+]1CC[C@@H](c2ccc(O)cc2)C1 ZINC000602729991 348020235 /nfs/dbraw/zinc/02/02/35/348020235.db2.gz MATZWSWAOPTXBP-CQSZACIVSA-N 1 1 296.345 3.392 20 30 CGEDMO N#Cc1csc(C[N@@H+]2CCC[C@@H](C3CCC3)CC2)n1 ZINC000602743699 348023016 /nfs/dbraw/zinc/02/30/16/348023016.db2.gz ZCSINHRCNMFRTC-CYBMUJFWSA-N 1 1 275.421 3.417 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@@H](C3CCC3)CC2)n1 ZINC000602743699 348023019 /nfs/dbraw/zinc/02/30/19/348023019.db2.gz ZCSINHRCNMFRTC-CYBMUJFWSA-N 1 1 275.421 3.417 20 30 CGEDMO N#CCC1(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)CC1 ZINC000602759887 348024468 /nfs/dbraw/zinc/02/44/68/348024468.db2.gz NLHHFQSHHPEPGN-HNNXBMFYSA-N 1 1 298.386 3.289 20 30 CGEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC1(CC#N)CC1 ZINC000602766764 348025684 /nfs/dbraw/zinc/02/56/84/348025684.db2.gz BNRHMHBUGWYBIB-UHFFFAOYSA-N 1 1 285.347 3.277 20 30 CGEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)CC1(CC#N)CC1 ZINC000602766764 348025686 /nfs/dbraw/zinc/02/56/86/348025686.db2.gz BNRHMHBUGWYBIB-UHFFFAOYSA-N 1 1 285.347 3.277 20 30 CGEDMO COc1ncc(C[N@H+](CCC#N)CC2CC2)c2ccccc21 ZINC000602778735 348026975 /nfs/dbraw/zinc/02/69/75/348026975.db2.gz NSPVKAZQYQVQOF-UHFFFAOYSA-N 1 1 295.386 3.369 20 30 CGEDMO COc1ncc(C[N@@H+](CCC#N)CC2CC2)c2ccccc21 ZINC000602778735 348026980 /nfs/dbraw/zinc/02/69/80/348026980.db2.gz NSPVKAZQYQVQOF-UHFFFAOYSA-N 1 1 295.386 3.369 20 30 CGEDMO Cc1nc(C)c([C@@H](C)[N@@H+](C)CC2(CC#N)CC2)s1 ZINC000602777237 348027149 /nfs/dbraw/zinc/02/71/49/348027149.db2.gz UWVLFHIGYNCHJX-LLVKDONJSA-N 1 1 263.410 3.447 20 30 CGEDMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CC1(CC#N)CC1 ZINC000602780270 348027222 /nfs/dbraw/zinc/02/72/22/348027222.db2.gz GBCGCNZQEYLQSJ-ZUOKHONESA-N 1 1 290.432 3.111 20 30 CGEDMO C[N@@H+]1CC=C(CNc2cccc(-n3cccc3)c2C#N)CC1 ZINC000603330281 348072002 /nfs/dbraw/zinc/07/20/02/348072002.db2.gz NBGIJCVSHQWHDC-UHFFFAOYSA-N 1 1 292.386 3.023 20 30 CGEDMO N#CCC1(C[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)CC1 ZINC000602793672 348030229 /nfs/dbraw/zinc/03/02/29/348030229.db2.gz CNIJQQKJHABJNL-OAHLLOKOSA-N 1 1 294.402 3.195 20 30 CGEDMO N#CCC1(C[N@H+](CCO)[C@H]2CCCc3ccccc32)CC1 ZINC000602790661 348030782 /nfs/dbraw/zinc/03/07/82/348030782.db2.gz MGRPHEXTJCFFHD-KRWDZBQOSA-N 1 1 284.403 3.052 20 30 CGEDMO C[C@H]1C[C@@H](c2cccnc2)[N@@H+](CC2(CC#N)CC2)C1 ZINC000602807046 348032592 /nfs/dbraw/zinc/03/25/92/348032592.db2.gz HJXOYDFZOFKVDU-ZFWWWQNUSA-N 1 1 255.365 3.158 20 30 CGEDMO N#CCC1(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)CC1 ZINC000602834499 348034961 /nfs/dbraw/zinc/03/49/61/348034961.db2.gz ZMPDCOHLSQZBAI-KZNAEPCWSA-N 1 1 296.414 3.185 20 30 CGEDMO N#CCC1(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)CC1 ZINC000602834496 348034969 /nfs/dbraw/zinc/03/49/69/348034969.db2.gz ZMPDCOHLSQZBAI-KURKYZTESA-N 1 1 296.414 3.185 20 30 CGEDMO C[C@H](C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)C1CCCCC1 ZINC000602850617 348036256 /nfs/dbraw/zinc/03/62/56/348036256.db2.gz RFSIIKVJILCSMN-OAGGEKHMSA-N 1 1 277.456 3.121 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2cccc(C(F)F)c2)C[C@H](C)N1CC#N ZINC000602854730 348037434 /nfs/dbraw/zinc/03/74/34/348037434.db2.gz QTHIAQXIODUDNQ-BETUJISGSA-N 1 1 293.361 3.042 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2cccc(C(F)F)c2)C[C@H](C)N1CC#N ZINC000602854730 348037439 /nfs/dbraw/zinc/03/74/39/348037439.db2.gz QTHIAQXIODUDNQ-BETUJISGSA-N 1 1 293.361 3.042 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@H](CO)C1 ZINC000602930289 348046193 /nfs/dbraw/zinc/04/61/93/348046193.db2.gz CCSNQQUYSUUATB-ZBFHGGJFSA-N 1 1 286.419 3.081 20 30 CGEDMO C[N@H+](Cc1cccc(OC(F)F)c1)[C@H]1CCC[C@@H]1C#N ZINC000602975473 348048567 /nfs/dbraw/zinc/04/85/67/348048567.db2.gz BHQVRXZAOSVHJG-OCCSQVGLSA-N 1 1 280.318 3.412 20 30 CGEDMO C[N@@H+](Cc1cccc(OC(F)F)c1)[C@H]1CCC[C@@H]1C#N ZINC000602975473 348048569 /nfs/dbraw/zinc/04/85/69/348048569.db2.gz BHQVRXZAOSVHJG-OCCSQVGLSA-N 1 1 280.318 3.412 20 30 CGEDMO C=CC[N@H+](CCc1ccc(OC)c(OC)c1)CC(C)C ZINC000604393808 348119186 /nfs/dbraw/zinc/11/91/86/348119186.db2.gz FELAIIVQSYMXDK-UHFFFAOYSA-N 1 1 277.408 3.390 20 30 CGEDMO Cc1nccc([C@@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)n1 ZINC000603834023 348097433 /nfs/dbraw/zinc/09/74/33/348097433.db2.gz DBKTXDDENOSBFW-QGZVFWFLSA-N 1 1 292.386 3.036 20 30 CGEDMO C=CCCCCC[N@H+](C)CC(=O)N1[C@H](C)CCC[C@H]1C ZINC000606902660 348206826 /nfs/dbraw/zinc/20/68/26/348206826.db2.gz IPWUUEPHLGDQBD-HZPDHXFCSA-N 1 1 280.456 3.454 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C[C@@H]1O ZINC000351944300 219258346 /nfs/dbraw/zinc/25/83/46/219258346.db2.gz KLMOLNVSYOHXKA-LIRRHRJNSA-N 1 1 292.382 3.038 20 30 CGEDMO COc1c(C)c[nH+]c(CN(C)Cc2ccccc2C#N)c1C ZINC000273350327 192122406 /nfs/dbraw/zinc/12/24/06/192122406.db2.gz AWLULZSXCPKZDV-UHFFFAOYSA-N 1 1 295.386 3.211 20 30 CGEDMO CC(C)(C#N)CCC[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000610447473 348383221 /nfs/dbraw/zinc/38/32/21/348383221.db2.gz YNMDLDBYOIUDMP-CALCHBBNSA-N 1 1 297.446 3.385 20 30 CGEDMO COc1nc(C)cc(C)c1C[NH2+]Cc1ccc(C#N)cc1F ZINC000610946844 348411343 /nfs/dbraw/zinc/41/13/43/348411343.db2.gz RTSYWBGKRHEDON-UHFFFAOYSA-N 1 1 299.349 3.008 20 30 CGEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)ccn1 ZINC000610991671 348413779 /nfs/dbraw/zinc/41/37/79/348413779.db2.gz CGASTNFGNZHFBW-GOSISDBHSA-N 1 1 295.361 3.299 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)ccn1 ZINC000610992931 348415470 /nfs/dbraw/zinc/41/54/70/348415470.db2.gz ULYKXRCSXQEYBO-KRWDZBQOSA-N 1 1 291.398 3.408 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCC[C@H]2C2CCCCC2)ccn1 ZINC000610992033 348415567 /nfs/dbraw/zinc/41/55/67/348415567.db2.gz QFFHBKCBYXSRAJ-KRWDZBQOSA-N 1 1 269.392 3.498 20 30 CGEDMO C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610994686 348416000 /nfs/dbraw/zinc/41/60/00/348416000.db2.gz MXYRGNGNXLRMMC-RDTXWAMCSA-N 1 1 277.371 3.331 20 30 CGEDMO C[C@@H](C#N)C[N@H+](CCOC1CCCCCC1)C1CC1 ZINC000611091605 348422673 /nfs/dbraw/zinc/42/26/73/348422673.db2.gz FFORYETVYZVERX-AWEZNQCLSA-N 1 1 264.413 3.350 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](CCOC1CCCCCC1)C1CC1 ZINC000611091605 348422675 /nfs/dbraw/zinc/42/26/75/348422675.db2.gz FFORYETVYZVERX-AWEZNQCLSA-N 1 1 264.413 3.350 20 30 CGEDMO C[C@@H](NCC[C@@H]1CCCC[N@@H+]1C)c1cccc(C#N)c1 ZINC000611388195 348443731 /nfs/dbraw/zinc/44/37/31/348443731.db2.gz YKXFZASKKTVSAS-PBHICJAKSA-N 1 1 271.408 3.083 20 30 CGEDMO C[C@@H](NCC[C@@H]1CCCC[N@H+]1C)c1cccc(C#N)c1 ZINC000611388195 348443735 /nfs/dbraw/zinc/44/37/35/348443735.db2.gz YKXFZASKKTVSAS-PBHICJAKSA-N 1 1 271.408 3.083 20 30 CGEDMO CC[C@@H](C)[N@H+](C)CCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000611391854 348445351 /nfs/dbraw/zinc/44/53/51/348445351.db2.gz BUGGQOQRTBERHS-KDOFPFPSSA-N 1 1 285.435 3.256 20 30 CGEDMO CC[C@@H](C)[N@@H+](C)CCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000611391854 348445352 /nfs/dbraw/zinc/44/53/52/348445352.db2.gz BUGGQOQRTBERHS-KDOFPFPSSA-N 1 1 285.435 3.256 20 30 CGEDMO CCCC[N@H+](C)CCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611392776 348445381 /nfs/dbraw/zinc/44/53/81/348445381.db2.gz LPJYOWBGZVYJAM-GOSISDBHSA-N 1 1 285.435 3.257 20 30 CGEDMO CCCC[N@@H+](C)CCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611392776 348445382 /nfs/dbraw/zinc/44/53/82/348445382.db2.gz LPJYOWBGZVYJAM-GOSISDBHSA-N 1 1 285.435 3.257 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000611577263 348462719 /nfs/dbraw/zinc/46/27/19/348462719.db2.gz HBTQVKGADIHNPA-RISCZKNCSA-N 1 1 280.318 3.323 20 30 CGEDMO COCC[N@H+](CCC#N)[C@@H](C)CCc1cccc(F)c1 ZINC000611956783 348482866 /nfs/dbraw/zinc/48/28/66/348482866.db2.gz JHIPDKZIHLBZPK-AWEZNQCLSA-N 1 1 278.371 3.009 20 30 CGEDMO COCC[N@@H+](CCC#N)[C@@H](C)CCc1cccc(F)c1 ZINC000611956783 348482870 /nfs/dbraw/zinc/48/28/70/348482870.db2.gz JHIPDKZIHLBZPK-AWEZNQCLSA-N 1 1 278.371 3.009 20 30 CGEDMO COCC[C@@H](c1ccccc1)[N@H+]1CCC[C@](C)(C#N)C1 ZINC000612157893 348497668 /nfs/dbraw/zinc/49/76/68/348497668.db2.gz FTULSUUZIMACTO-DLBZAZTESA-N 1 1 272.392 3.390 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000612584841 348530618 /nfs/dbraw/zinc/53/06/18/348530618.db2.gz CYBQGBGBVQYMDZ-UHFFFAOYSA-N 1 1 271.389 3.449 20 30 CGEDMO CC[N@H+]1CCC[C@H]1CNc1nc(C(C)(C)C)ccc1C#N ZINC000613409395 348598243 /nfs/dbraw/zinc/59/82/43/348598243.db2.gz ZKJNLZYQXKBKKB-AWEZNQCLSA-N 1 1 286.423 3.147 20 30 CGEDMO CC[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C[C@H]1CCOC1 ZINC000614160759 348653392 /nfs/dbraw/zinc/65/33/92/348653392.db2.gz CZTWBUODDINNSZ-MRXNPFEDSA-N 1 1 286.419 3.346 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)CC(C)(C)O1 ZINC000614161016 348653785 /nfs/dbraw/zinc/65/37/85/348653785.db2.gz MBIANRPSMPPJHW-CQSZACIVSA-N 1 1 286.419 3.487 20 30 CGEDMO CCOC[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614169014 348654148 /nfs/dbraw/zinc/65/41/48/348654148.db2.gz NLBHNZJJIZIIRL-MRXNPFEDSA-N 1 1 286.419 3.346 20 30 CGEDMO C[C@@H]1CSCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000614167970 348654183 /nfs/dbraw/zinc/65/41/83/348654183.db2.gz FESDTUNXUQRYFP-CYBMUJFWSA-N 1 1 274.433 3.425 20 30 CGEDMO CC(C)[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C[C@H](C)O ZINC000614167243 348654251 /nfs/dbraw/zinc/65/42/51/348654251.db2.gz CRAFXIIFJZQXFL-AWEZNQCLSA-N 1 1 274.408 3.079 20 30 CGEDMO CC(C)(C#N)c1ccc(C[N@H+]2CC[C@@]3(CCOC3)C2)cc1 ZINC000614171781 348654953 /nfs/dbraw/zinc/65/49/53/348654953.db2.gz ZPIHQSHUJMDSNJ-GOSISDBHSA-N 1 1 284.403 3.100 20 30 CGEDMO C[C@H](O)[C@H]1CCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614176125 348655531 /nfs/dbraw/zinc/65/55/31/348655531.db2.gz HCVVIBHOZDHUJZ-HOCLYGCPSA-N 1 1 286.419 3.081 20 30 CGEDMO COCC[N@@H+](CCC#N)[C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000615113816 348715312 /nfs/dbraw/zinc/71/53/12/348715312.db2.gz XYZMUSQXQKZWGN-MSOLQXFVSA-N 1 1 286.419 3.359 20 30 CGEDMO C[N@H+](CCOC(C)(C)C)Cc1ccc(C#N)cc1Cl ZINC000615225008 348725308 /nfs/dbraw/zinc/72/53/08/348725308.db2.gz LFEHLVFAVGBKHR-UHFFFAOYSA-N 1 1 280.799 3.459 20 30 CGEDMO C[N@@H+](CCOC(C)(C)C)Cc1ccc(C#N)cc1Cl ZINC000615225008 348725309 /nfs/dbraw/zinc/72/53/09/348725309.db2.gz LFEHLVFAVGBKHR-UHFFFAOYSA-N 1 1 280.799 3.459 20 30 CGEDMO CC[C@@]1(CO)CCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000615238747 348726427 /nfs/dbraw/zinc/72/64/27/348726427.db2.gz QASUBGFULVNSFF-SFHVURJKSA-N 1 1 286.419 3.225 20 30 CGEDMO COCC[N@@H+](Cc1ccc(C#N)cc1C)C1CCCC1 ZINC000614397614 348673316 /nfs/dbraw/zinc/67/33/16/348673316.db2.gz JNFDHADGRZBHOV-UHFFFAOYSA-N 1 1 272.392 3.258 20 30 CGEDMO Cc1ncc([C@H](C)[N@@H+](C)Cc2ccc(C#N)cc2)c(C)n1 ZINC000614493833 348680224 /nfs/dbraw/zinc/68/02/24/348680224.db2.gz QGORTWGYXOYTBP-ZDUSSCGKSA-N 1 1 280.375 3.158 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(F)cc1F ZINC000614800237 348694513 /nfs/dbraw/zinc/69/45/13/348694513.db2.gz VMGFDYIIBSRDDQ-SNVBAGLBSA-N 1 1 273.286 3.082 20 30 CGEDMO CC[N@@H+](Cc1ccnc(C#N)c1)[C@H]1CCCC[C@@H]1C ZINC000614916168 348700500 /nfs/dbraw/zinc/70/05/00/348700500.db2.gz QHAQXIVSJSPIMB-BBRMVZONSA-N 1 1 257.381 3.354 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000614963407 348704172 /nfs/dbraw/zinc/70/41/72/348704172.db2.gz CENGSUCMTPEWHZ-RISCZKNCSA-N 1 1 280.318 3.323 20 30 CGEDMO C/C(=C\c1ccccc1)C[N@H+](C)Cc1ccnc(C#N)c1 ZINC000617260698 348940571 /nfs/dbraw/zinc/94/05/71/348940571.db2.gz ZFLMPIKASGCFJS-XNTDXEJSSA-N 1 1 277.371 3.489 20 30 CGEDMO C=CCCC1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1 ZINC000617418107 348960093 /nfs/dbraw/zinc/96/00/93/348960093.db2.gz SBAKDAPDQMFIML-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000618453809 349085853 /nfs/dbraw/zinc/08/58/53/349085853.db2.gz UWMFXYRSZCKWJF-OCAPTIKFSA-N 1 1 261.209 3.235 20 30 CGEDMO C=CC[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000618453809 349085855 /nfs/dbraw/zinc/08/58/55/349085855.db2.gz UWMFXYRSZCKWJF-OCAPTIKFSA-N 1 1 261.209 3.235 20 30 CGEDMO CC[N@@H+](Cc1ccoc1)Cc1ccc(C#N)c(C)c1 ZINC000618593628 349115862 /nfs/dbraw/zinc/11/58/62/349115862.db2.gz CLPAXDQEMWYZAX-UHFFFAOYSA-N 1 1 254.333 3.482 20 30 CGEDMO C[N@@H+](CCCCCO)Cc1ccc(C(C)(C)C#N)cc1 ZINC000619053963 349200280 /nfs/dbraw/zinc/20/02/80/349200280.db2.gz SVAHEGIPSBXTSA-UHFFFAOYSA-N 1 1 274.408 3.082 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)[C@H](C)C1 ZINC000619655369 349267725 /nfs/dbraw/zinc/26/77/25/349267725.db2.gz BBXUFIFNPDRKBT-PBHICJAKSA-N 1 1 286.419 3.487 20 30 CGEDMO C[C@@H](C[N@H+](CCC#N)Cc1cccnc1)C(C)(C)C ZINC000619844086 349286715 /nfs/dbraw/zinc/28/67/15/349286715.db2.gz PXJKQJREOUIBHK-AWEZNQCLSA-N 1 1 259.397 3.479 20 30 CGEDMO C[C@@H](C[N@@H+](CCC#N)Cc1cccnc1)C(C)(C)C ZINC000619844086 349286718 /nfs/dbraw/zinc/28/67/18/349286718.db2.gz PXJKQJREOUIBHK-AWEZNQCLSA-N 1 1 259.397 3.479 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2CCC3(C2)CCOCC3)c1 ZINC000271234300 191020272 /nfs/dbraw/zinc/02/02/72/191020272.db2.gz VXKYVCYXBCDGRR-UHFFFAOYSA-N 1 1 287.403 3.254 20 30 CGEDMO Cc1nc2ccc(NC(=O)c3ccc(C#N)s3)cc2[nH]1 ZINC000359311294 233297132 /nfs/dbraw/zinc/29/71/32/233297132.db2.gz UNEQMOLVLHVZOX-UHFFFAOYSA-N 1 1 282.328 3.057 20 30 CGEDMO C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H](C)C1(F)F ZINC000625654374 350192339 /nfs/dbraw/zinc/19/23/39/350192339.db2.gz NOSPHZHREMFKKT-OKILXGFUSA-N 1 1 263.331 3.261 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2nnc(-c3cc(C)oc3C)o2)C1 ZINC000625701576 350198815 /nfs/dbraw/zinc/19/88/15/350198815.db2.gz AALPFVUZJIZRJT-CYBMUJFWSA-N 1 1 287.363 3.344 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000625701427 350199033 /nfs/dbraw/zinc/19/90/33/350199033.db2.gz JOERLSAWBXENPR-LLVKDONJSA-N 1 1 270.298 3.498 20 30 CGEDMO N#CCCCC[N@@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000625800575 350215530 /nfs/dbraw/zinc/21/55/30/350215530.db2.gz XTMTZECQUHHDAE-SFHVURJKSA-N 1 1 298.386 3.180 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000625804347 350215801 /nfs/dbraw/zinc/21/58/01/350215801.db2.gz XGTIXJJUTNRAFB-RDTXWAMCSA-N 1 1 298.386 3.179 20 30 CGEDMO C=CC[C@H]1CC[N@H+](Cc2nnc(-c3ccc(C)cc3)o2)C1 ZINC000625705207 350201087 /nfs/dbraw/zinc/20/10/87/350201087.db2.gz YPXBPGSWTQBUBX-AWEZNQCLSA-N 1 1 283.375 3.443 20 30 CGEDMO CCC(O)(CC)C[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000626110834 350262027 /nfs/dbraw/zinc/26/20/27/350262027.db2.gz SLCZBOQYOIFHOX-UHFFFAOYSA-N 1 1 279.811 3.174 20 30 CGEDMO C=CC[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000628491467 350558274 /nfs/dbraw/zinc/55/82/74/350558274.db2.gz YVOASVAXYNEUIV-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC1(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)CCCCC1 ZINC000628751542 350599675 /nfs/dbraw/zinc/59/96/75/350599675.db2.gz TZTFKTHLNKCJPM-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1c(C)cc(C)cc1C)C1CC1 ZINC000271393011 191114269 /nfs/dbraw/zinc/11/42/69/191114269.db2.gz KFPAWIONFUEUFW-UHFFFAOYSA-N 1 1 272.392 3.201 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1c(C)cc(C)cc1C)C1CC1 ZINC000271393011 191114271 /nfs/dbraw/zinc/11/42/71/191114271.db2.gz KFPAWIONFUEUFW-UHFFFAOYSA-N 1 1 272.392 3.201 20 30 CGEDMO Cc1cc(C[N@@H+]2CCCC[C@H]2c2cc[nH]n2)ccc1C#N ZINC000352221684 219370168 /nfs/dbraw/zinc/37/01/68/219370168.db2.gz NOFUWLBBBJRSNV-KRWDZBQOSA-N 1 1 280.375 3.317 20 30 CGEDMO Cc1cc(C[N@H+]2CCCC[C@H]2c2cc[nH]n2)ccc1C#N ZINC000352221684 219370171 /nfs/dbraw/zinc/37/01/71/219370171.db2.gz NOFUWLBBBJRSNV-KRWDZBQOSA-N 1 1 280.375 3.317 20 30 CGEDMO Clc1ccccc1C#CCn1cc[nH+]c1C1CC1 ZINC000629259727 350673697 /nfs/dbraw/zinc/67/36/97/350673697.db2.gz UQZVPVSXWMPRDY-UHFFFAOYSA-N 1 1 256.736 3.466 20 30 CGEDMO N#Cc1csc(C[NH2+][C@H]2COc3ccc(Cl)cc32)c1 ZINC000335669115 212388053 /nfs/dbraw/zinc/38/80/53/212388053.db2.gz JOWDMJYUZVCKLY-ZDUSSCGKSA-N 1 1 290.775 3.496 20 30 CGEDMO CCC(=O)c1cccc(C#N)c1OCCCn1cc[nH+]c1C ZINC000634554293 351512176 /nfs/dbraw/zinc/51/21/76/351512176.db2.gz VLLJKKYIHCCLBZ-UHFFFAOYSA-N 1 1 297.358 3.125 20 30 CGEDMO CC(C)[C@H]1[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CC12CCC2 ZINC000291932747 198109782 /nfs/dbraw/zinc/10/97/82/198109782.db2.gz OPGCTOZEVUAEQD-IAGOWNOFSA-N 1 1 284.403 3.102 20 30 CGEDMO CCCCCCC[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000729524675 571924040 /nfs/dbraw/zinc/92/40/40/571924040.db2.gz KXEIKPRPSVDCCC-LSDHHAIUSA-N 1 1 268.445 3.051 20 30 CGEDMO Cc1cnc(CC[N@H+](C)Cc2cc(C#N)ccc2F)s1 ZINC000157748885 188336761 /nfs/dbraw/zinc/33/67/61/188336761.db2.gz DIGQVEOPMIMTPY-UHFFFAOYSA-N 1 1 289.379 3.137 20 30 CGEDMO C#CC[C@H]([NH2+]Cc1cc(C(=O)OC)c(C)o1)c1ccccc1 ZINC000271724995 191291710 /nfs/dbraw/zinc/29/17/10/191291710.db2.gz QWIWFMTXTFJVMG-KRWDZBQOSA-N 1 1 297.354 3.229 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000271725164 191292225 /nfs/dbraw/zinc/29/22/25/191292225.db2.gz SIBUKFKDPYYNBQ-CQSZACIVSA-N 1 1 267.376 3.074 20 30 CGEDMO C#CCC[N@H+]1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000271725164 191292226 /nfs/dbraw/zinc/29/22/26/191292226.db2.gz SIBUKFKDPYYNBQ-CQSZACIVSA-N 1 1 267.376 3.074 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000271725164 191292229 /nfs/dbraw/zinc/29/22/29/191292229.db2.gz SIBUKFKDPYYNBQ-CQSZACIVSA-N 1 1 267.376 3.074 20 30 CGEDMO N#C[C@H]1CC[C@@H]([N@H+]2CC=C(c3ccc(O)cc3)CC2)C1 ZINC000334736585 283065939 /nfs/dbraw/zinc/06/59/39/283065939.db2.gz MFPIVEUYTRFJEC-XJKSGUPXSA-N 1 1 268.360 3.174 20 30 CGEDMO Cc1c(C#N)cccc1NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000412205213 235138341 /nfs/dbraw/zinc/13/83/41/235138341.db2.gz YBTCQXUFSLUABP-SCRDCRAPSA-N 1 1 285.391 3.067 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)s1 ZINC000449449817 283139227 /nfs/dbraw/zinc/13/92/27/283139227.db2.gz FBUCQTXVNQYNCE-OAGGEKHMSA-N 1 1 290.432 3.135 20 30 CGEDMO CCC[N@@H+](CCC#N)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000354471371 283196038 /nfs/dbraw/zinc/19/60/38/283196038.db2.gz ZJESKUYIZGRYRK-HUUCEWRRSA-N 1 1 264.413 3.350 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@@H]2C2CCOCC2)c1 ZINC000334205975 283247148 /nfs/dbraw/zinc/24/71/48/283247148.db2.gz YQHOHGJZKYQXCK-OAHLLOKOSA-N 1 1 276.405 3.011 20 30 CGEDMO N#Cc1csc(C[NH2+][C@H]2CCCc3sccc32)n1 ZINC000336007050 283247541 /nfs/dbraw/zinc/24/75/41/283247541.db2.gz JSYMPZRAHQVMDI-NSHDSACASA-N 1 1 275.402 3.243 20 30 CGEDMO COc1ccc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1C#N ZINC000298217707 200362952 /nfs/dbraw/zinc/36/29/52/200362952.db2.gz FKGFPUPTANMSII-CABCVRRESA-N 1 1 292.329 3.044 20 30 CGEDMO CN(C)[C@@H](C[NH2+]Cc1ccc(C#N)s1)C1CCCCC1 ZINC000176949048 189016402 /nfs/dbraw/zinc/01/64/02/189016402.db2.gz NOSYONQAFJEJMJ-INIZCTEOSA-N 1 1 291.464 3.220 20 30 CGEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)[C@@H](C)C1(C)CC1 ZINC000177217785 189037326 /nfs/dbraw/zinc/03/73/26/189037326.db2.gz YUUPNQRRAPRNQZ-ZDUSSCGKSA-N 1 1 288.391 3.066 20 30 CGEDMO C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@@H]1CCc2ccccc21 ZINC000177992379 189084373 /nfs/dbraw/zinc/08/43/73/189084373.db2.gz AMMQCWSGCFIIBH-RTBURBONSA-N 1 1 292.382 3.211 20 30 CGEDMO CCCC[N@H+]1CCCC[C@H]1CNc1cccc(C#N)n1 ZINC000301275625 200959713 /nfs/dbraw/zinc/95/97/13/200959713.db2.gz LUKADEKDWHYXCX-HNNXBMFYSA-N 1 1 272.396 3.020 20 30 CGEDMO CN(CC[C@@H]1CCCC[N@H+]1C)c1ccc(F)cc1C#N ZINC000301461532 201018473 /nfs/dbraw/zinc/01/84/73/201018473.db2.gz OGCQHQNCUZRXNU-HNNXBMFYSA-N 1 1 275.371 3.008 20 30 CGEDMO COC[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1ccco1 ZINC000181849012 189308193 /nfs/dbraw/zinc/30/81/93/189308193.db2.gz WOQSXCALMOKPTD-IUODEOHRSA-N 1 1 270.332 3.190 20 30 CGEDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)Nc1ccc(Cl)c(C#N)n1 ZINC000301518183 201040433 /nfs/dbraw/zinc/04/04/33/201040433.db2.gz KKAYHRZTGZWOLD-NWDGAFQWSA-N 1 1 292.814 3.139 20 30 CGEDMO CC(C)C[N@H+]1CC[C@@H](CNc2cccc(F)c2C#N)C1 ZINC000301624671 201101606 /nfs/dbraw/zinc/10/16/06/201101606.db2.gz ZLYPSQFMXBUCGA-ZDUSSCGKSA-N 1 1 275.371 3.087 20 30 CGEDMO CC[N@H+]1CCCC[C@H]1CNc1nc2c(cc1C#N)CCCC2 ZINC000301853174 201234685 /nfs/dbraw/zinc/23/46/85/201234685.db2.gz BERCNLXGNVLDDG-INIZCTEOSA-N 1 1 298.434 3.118 20 30 CGEDMO CC(=O)c1ccc(C#N)c(NCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000302086549 201336949 /nfs/dbraw/zinc/33/69/49/201336949.db2.gz FEQPRTXHQLTASN-CQSZACIVSA-N 1 1 299.418 3.437 20 30 CGEDMO CCn1nccc1C[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000119848055 370715044 /nfs/dbraw/zinc/71/50/44/370715044.db2.gz RIIXCJMCOKMVII-INIZCTEOSA-N 1 1 268.364 3.038 20 30 CGEDMO CCC[N@H+](Cc1ccc(F)c(C#N)c1)C[C@@H]1CCCCO1 ZINC000120357868 370761708 /nfs/dbraw/zinc/76/17/08/370761708.db2.gz OCUROKNDWDWPKV-INIZCTEOSA-N 1 1 290.382 3.478 20 30 CGEDMO C=CCOc1cccc(C[N@H+](CC)CCOCC)c1 ZINC000120462453 370770054 /nfs/dbraw/zinc/77/00/54/370770054.db2.gz NLZHVJIPLDSFBX-UHFFFAOYSA-N 1 1 263.381 3.110 20 30 CGEDMO Cc1nccn1CCCC[N@@H+](CCC#N)CC(C)(C)C ZINC000120553797 370779477 /nfs/dbraw/zinc/77/94/77/370779477.db2.gz WDBMUCAKSIBGQG-UHFFFAOYSA-N 1 1 276.428 3.234 20 30 CGEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2OC)cc1 ZINC000120567998 370781672 /nfs/dbraw/zinc/78/16/72/370781672.db2.gz JEPXNTYCHPBPMP-UHFFFAOYSA-N 1 1 296.370 3.207 20 30 CGEDMO C[C@@]12C[N@@H+](Cc3cccc(C#N)c3F)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451372894 240288047 /nfs/dbraw/zinc/28/80/47/240288047.db2.gz RFPQEQFIQQCZSB-JHMUCCBASA-N 1 1 282.362 3.341 20 30 CGEDMO Cc1ccc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)nc1 ZINC000451385367 240288805 /nfs/dbraw/zinc/28/88/05/240288805.db2.gz SBGQJRLAFXMMCH-CQSZACIVSA-N 1 1 265.360 3.455 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000451649375 240342326 /nfs/dbraw/zinc/34/23/26/240342326.db2.gz RVMSILNREDPWTF-OAHLLOKOSA-N 1 1 276.380 3.025 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000451649375 240342329 /nfs/dbraw/zinc/34/23/29/240342329.db2.gz RVMSILNREDPWTF-OAHLLOKOSA-N 1 1 276.380 3.025 20 30 CGEDMO CO[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(C#N)c2F)C12CCC2 ZINC000451856658 240370296 /nfs/dbraw/zinc/37/02/96/240370296.db2.gz SWDFWWDEAVOHNQ-LSDHHAIUSA-N 1 1 288.366 3.087 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(OC)c(Br)c1 ZINC000121298375 370849707 /nfs/dbraw/zinc/84/97/07/370849707.db2.gz NOMYCMNIWAOAQQ-UHFFFAOYSA-N 1 1 270.170 3.076 20 30 CGEDMO C[C@H]([N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-])C1(C)CC1 ZINC000459349005 242086593 /nfs/dbraw/zinc/08/65/93/242086593.db2.gz SXONODYPYPEXIE-NSHDSACASA-N 1 1 273.336 3.087 20 30 CGEDMO C[C@H]([N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-])C1(C)CC1 ZINC000459349005 242086597 /nfs/dbraw/zinc/08/65/97/242086597.db2.gz SXONODYPYPEXIE-NSHDSACASA-N 1 1 273.336 3.087 20 30 CGEDMO C[C@H]1C[C@H](Nc2c(Cl)cccc2C#N)CC[N@H+]1C ZINC000462885399 242371873 /nfs/dbraw/zinc/37/18/73/242371873.db2.gz UQRKAEZOZIDFEH-CMPLNLGQSA-N 1 1 263.772 3.106 20 30 CGEDMO C=CC[N@H+](C)Cc1ccc(-n2nc(C)cc2C)cc1 ZINC000121520013 370868864 /nfs/dbraw/zinc/86/88/64/370868864.db2.gz CDAIRWUZUUESKA-UHFFFAOYSA-N 1 1 255.365 3.107 20 30 CGEDMO Cc1cccc(OCC[N@H+](C)Cc2cc(C#N)cs2)c1 ZINC000121550409 370872931 /nfs/dbraw/zinc/87/29/31/370872931.db2.gz KLYVZPLGWWHOOF-UHFFFAOYSA-N 1 1 286.400 3.439 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000574247973 335003833 /nfs/dbraw/zinc/00/38/33/335003833.db2.gz YBJVYCYULBOVDB-RDJZCZTQSA-N 1 1 262.441 3.291 20 30 CGEDMO C=CCCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000574247973 335003834 /nfs/dbraw/zinc/00/38/34/335003834.db2.gz YBJVYCYULBOVDB-RDJZCZTQSA-N 1 1 262.441 3.291 20 30 CGEDMO Cc1cnc([C@H](C)[NH2+]CC#Cc2ccccc2)s1 ZINC000124282572 370923634 /nfs/dbraw/zinc/92/36/34/370923634.db2.gz IRNCRHQKIOEJAC-ZDUSSCGKSA-N 1 1 256.374 3.154 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](CC=C)CCc1ccccc1 ZINC000124451159 370924593 /nfs/dbraw/zinc/92/45/93/370924593.db2.gz BJJHEAPVEBLXGV-QGZVFWFLSA-N 1 1 259.393 3.044 20 30 CGEDMO N#CCSCCC[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000126933188 370947242 /nfs/dbraw/zinc/94/72/42/370947242.db2.gz XSXVUZUAOYYXIR-UHFFFAOYSA-N 1 1 285.416 3.173 20 30 CGEDMO N#CCSCCC[N@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000126933188 370947246 /nfs/dbraw/zinc/94/72/46/370947246.db2.gz XSXVUZUAOYYXIR-UHFFFAOYSA-N 1 1 285.416 3.173 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccsc1 ZINC000035126486 368999742 /nfs/dbraw/zinc/99/97/42/368999742.db2.gz DRSLCYJQZWMGQT-UHFFFAOYSA-N 1 1 299.399 3.080 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](Cc1ccccc1C)C1CC1 ZINC000036104585 369009561 /nfs/dbraw/zinc/00/95/61/369009561.db2.gz OHHHPQFZLBSKTN-KRWDZBQOSA-N 1 1 259.393 3.287 20 30 CGEDMO C[C@@H]1[C@@H](C)CCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000050564757 369441188 /nfs/dbraw/zinc/44/11/88/369441188.db2.gz DOGZFGJPADUHGM-UONOGXRCSA-N 1 1 285.391 3.007 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1c(C)nn(-c2ccccc2)c1C ZINC000053135326 369477713 /nfs/dbraw/zinc/47/77/13/369477713.db2.gz YGOULSOLKUWZFY-UHFFFAOYSA-N 1 1 269.392 3.497 20 30 CGEDMO C[C@H]1CCCC[C@H]1[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000055386543 369516386 /nfs/dbraw/zinc/51/63/86/369516386.db2.gz UIGIHLFPKPHJDB-XJKSGUPXSA-N 1 1 285.391 3.007 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000129185028 370977947 /nfs/dbraw/zinc/97/79/47/370977947.db2.gz WXJNSZUPDJHYSO-KRWDZBQOSA-N 1 1 277.383 3.365 20 30 CGEDMO CC[N@H+]1CCC[C@H]1CNc1cc(Cl)ccc1C#N ZINC000062785227 369630243 /nfs/dbraw/zinc/63/02/43/369630243.db2.gz WWCFEWZWGXACNA-ZDUSSCGKSA-N 1 1 263.772 3.108 20 30 CGEDMO C=CC[N@H+](CCOCCCC)Cc1cccc(C#N)c1 ZINC000063388172 369646347 /nfs/dbraw/zinc/64/63/47/369646347.db2.gz SPIFGROFAZSFEW-UHFFFAOYSA-N 1 1 272.392 3.363 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000276429891 193327018 /nfs/dbraw/zinc/32/70/18/193327018.db2.gz NJIXORUDNITLJO-AWEZNQCLSA-N 1 1 287.325 3.117 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)c1nc(-c2ccccc2)no1 ZINC000276517271 193365527 /nfs/dbraw/zinc/36/55/27/193365527.db2.gz YIUNKIUYRGZUHX-GFCCVEGCSA-N 1 1 257.337 3.306 20 30 CGEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCCO1 ZINC000069071284 369753984 /nfs/dbraw/zinc/75/39/84/369753984.db2.gz FEROGIIQTAZSKH-QGZVFWFLSA-N 1 1 272.392 3.338 20 30 CGEDMO CCn1c2cc(F)ccc2[nH+]c1NCc1cc(C#N)n(C)c1 ZINC000276534608 193371755 /nfs/dbraw/zinc/37/17/55/193371755.db2.gz HJXDEQJCBWLZFY-UHFFFAOYSA-N 1 1 297.337 3.018 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CCCc2ccccc2C1 ZINC000067736645 369727377 /nfs/dbraw/zinc/72/73/77/369727377.db2.gz CKGZANPFYDWYGO-UHFFFAOYSA-N 1 1 261.368 3.487 20 30 CGEDMO CCCC[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000070926189 369807536 /nfs/dbraw/zinc/80/75/36/369807536.db2.gz GVOARUHWQYJAJA-OAHLLOKOSA-N 1 1 287.407 3.054 20 30 CGEDMO C=CCCC[N@H+](C)CCC(=O)Nc1ccc(F)cc1 ZINC000076735782 369940947 /nfs/dbraw/zinc/94/09/47/369940947.db2.gz PUIJTTBQHQIZAC-UHFFFAOYSA-N 1 1 264.344 3.052 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000076734027 369940979 /nfs/dbraw/zinc/94/09/79/369940979.db2.gz JLRCVYLUWOLYEE-AWEZNQCLSA-N 1 1 290.407 3.229 20 30 CGEDMO C=CC[N@@H+](Cc1cc(C(N)=O)cs1)Cc1ccccc1 ZINC000092261660 370095410 /nfs/dbraw/zinc/09/54/10/370095410.db2.gz ZXQFPWQVOZUGTB-UHFFFAOYSA-N 1 1 286.400 3.035 20 30 CGEDMO C=CC[N@H+](Cc1cc(C(N)=O)cs1)Cc1ccccc1 ZINC000092261660 370095413 /nfs/dbraw/zinc/09/54/13/370095413.db2.gz ZXQFPWQVOZUGTB-UHFFFAOYSA-N 1 1 286.400 3.035 20 30 CGEDMO C=CCOc1ccccc1C[N@H+](CC)CCOCC ZINC000092537757 370098304 /nfs/dbraw/zinc/09/83/04/370098304.db2.gz UWKSPZSVGXTVOV-UHFFFAOYSA-N 1 1 263.381 3.110 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)o1)[C@H]1CCc2ccccc2C1 ZINC000093438686 370128750 /nfs/dbraw/zinc/12/87/50/370128750.db2.gz ZFCWKCQBSDKVLC-HNNXBMFYSA-N 1 1 266.344 3.141 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCOC2(CCC2)C1 ZINC000093640209 370150543 /nfs/dbraw/zinc/15/05/43/370150543.db2.gz WBAUUCUNNDTDKN-UHFFFAOYSA-N 1 1 273.376 3.006 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCOC2(CCC2)C1 ZINC000093640209 370150549 /nfs/dbraw/zinc/15/05/49/370150549.db2.gz WBAUUCUNNDTDKN-UHFFFAOYSA-N 1 1 273.376 3.006 20 30 CGEDMO CN1CCCC[C@@H]1CC[N@H+](C)CC(C)(C)CCC#N ZINC000093660246 370152465 /nfs/dbraw/zinc/15/24/65/370152465.db2.gz SDCWNVYRABOPDR-OAHLLOKOSA-N 1 1 265.445 3.123 20 30 CGEDMO CN1CCCC[C@@H]1CC[N@@H+](C)CC(C)(C)CCC#N ZINC000093660246 370152468 /nfs/dbraw/zinc/15/24/68/370152468.db2.gz SDCWNVYRABOPDR-OAHLLOKOSA-N 1 1 265.445 3.123 20 30 CGEDMO CC(C)[C@@H]1C[N@@H+](CC(C)(C)CCC#N)CCS1 ZINC000093869383 370165304 /nfs/dbraw/zinc/16/53/04/370165304.db2.gz PSFRNMTVRQZWTN-ZDUSSCGKSA-N 1 1 254.443 3.390 20 30 CGEDMO CC(=O)Nc1cccc(C[N@H+](CCC#N)CC(C)(C)C)c1 ZINC000109811819 370366390 /nfs/dbraw/zinc/36/63/90/370366390.db2.gz XMGCAGGNCWCMCP-UHFFFAOYSA-N 1 1 287.407 3.407 20 30 CGEDMO CC(=O)Nc1cccc(C[N@@H+](CCC#N)CC(C)(C)C)c1 ZINC000109811819 370366395 /nfs/dbraw/zinc/36/63/95/370366395.db2.gz XMGCAGGNCWCMCP-UHFFFAOYSA-N 1 1 287.407 3.407 20 30 CGEDMO C[C@@H]1C[N@H+](CCCCC#N)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000112998270 370459551 /nfs/dbraw/zinc/45/95/51/370459551.db2.gz OSDHTYDORYUFCH-OKILXGFUSA-N 1 1 295.427 3.010 20 30 CGEDMO C[N@@H+](CCCCC#N)C1CCN(Cc2ccccc2)CC1 ZINC000114200449 370493175 /nfs/dbraw/zinc/49/31/75/370493175.db2.gz LASASJLDBBINHT-UHFFFAOYSA-N 1 1 285.435 3.277 20 30 CGEDMO C[C@H]1SCC[N@H+](Cc2cn3ccccc3c2C#N)[C@@H]1C ZINC000118417782 370615139 /nfs/dbraw/zinc/61/51/39/370615139.db2.gz QNFMIGJQNZSNSZ-CHWSQXEVSA-N 1 1 285.416 3.137 20 30 CGEDMO C[C@H]1SCC[N@@H+](Cc2cn3ccccc3c2C#N)[C@@H]1C ZINC000118417782 370615144 /nfs/dbraw/zinc/61/51/44/370615144.db2.gz QNFMIGJQNZSNSZ-CHWSQXEVSA-N 1 1 285.416 3.137 20 30 CGEDMO C=CCCC[N@@H+](C)Cc1nnc(Cc2ccccc2C)o1 ZINC000129653320 370996643 /nfs/dbraw/zinc/99/66/43/370996643.db2.gz FLRWTLWWSLTLIT-UHFFFAOYSA-N 1 1 285.391 3.367 20 30 CGEDMO C=CCCC[N@H+](C)Cc1nnc(Cc2ccccc2C)o1 ZINC000129653320 370996645 /nfs/dbraw/zinc/99/66/45/370996645.db2.gz FLRWTLWWSLTLIT-UHFFFAOYSA-N 1 1 285.391 3.367 20 30 CGEDMO C[N@@H+](CCC1CCOCC1)CC(C)(C)CCC#N ZINC000129702128 370998077 /nfs/dbraw/zinc/99/80/77/370998077.db2.gz NPOBVQMZMSXJJK-UHFFFAOYSA-N 1 1 252.402 3.065 20 30 CGEDMO CC[N@@H+](Cc1cc(C#N)ccc1OC)C1CCCC1 ZINC000130402579 371030654 /nfs/dbraw/zinc/03/06/54/371030654.db2.gz AOARQYYXEREFTQ-UHFFFAOYSA-N 1 1 258.365 3.331 20 30 CGEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC000130521820 371039299 /nfs/dbraw/zinc/03/92/99/371039299.db2.gz QYCUPDHESFNWSY-INIZCTEOSA-N 1 1 280.375 3.235 20 30 CGEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1ccccc1C#N ZINC000130521820 371039307 /nfs/dbraw/zinc/03/93/07/371039307.db2.gz QYCUPDHESFNWSY-INIZCTEOSA-N 1 1 280.375 3.235 20 30 CGEDMO C=CCC[N@@H+](CC(N)=O)[C@H](C)c1ccc(CCC)cc1 ZINC000132604497 371187434 /nfs/dbraw/zinc/18/74/34/371187434.db2.gz FERQRYWZOOMGKY-CQSZACIVSA-N 1 1 274.408 3.064 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000132780063 371201581 /nfs/dbraw/zinc/20/15/81/371201581.db2.gz KFPKXPAYOIQPQE-CQSZACIVSA-N 1 1 259.349 3.171 20 30 CGEDMO C=CC[N@@H+](CC(=O)N[C@H](c1ccc(C)cc1)C1CC1)C1CC1 ZINC000537857725 376204211 /nfs/dbraw/zinc/20/42/11/376204211.db2.gz PRNJHOQASYEDRT-LJQANCHMSA-N 1 1 298.430 3.213 20 30 CGEDMO C=CC[N@H+](CC(=O)N[C@H](c1ccc(C)cc1)C1CC1)C1CC1 ZINC000537857725 376204219 /nfs/dbraw/zinc/20/42/19/376204219.db2.gz PRNJHOQASYEDRT-LJQANCHMSA-N 1 1 298.430 3.213 20 30 CGEDMO CC(C)C(N)=[NH+]O[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000133638885 371267096 /nfs/dbraw/zinc/26/70/96/371267096.db2.gz UFZSZEYMYYOSDC-NSHDSACASA-N 1 1 273.336 3.347 20 30 CGEDMO C=CC[N@@H+](CC(=O)N[C@@H](c1ccc(C)cc1)C1CC1)C1CC1 ZINC000537857724 376204893 /nfs/dbraw/zinc/20/48/93/376204893.db2.gz PRNJHOQASYEDRT-IBGZPJMESA-N 1 1 298.430 3.213 20 30 CGEDMO C=CC[N@H+](CC(=O)N[C@@H](c1ccc(C)cc1)C1CC1)C1CC1 ZINC000537857724 376204900 /nfs/dbraw/zinc/20/49/00/376204900.db2.gz PRNJHOQASYEDRT-IBGZPJMESA-N 1 1 298.430 3.213 20 30 CGEDMO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ccccc1C#N ZINC000134221797 371313328 /nfs/dbraw/zinc/31/33/28/371313328.db2.gz ANHCMOWEVYLHMV-AUUYWEPGSA-N 1 1 292.382 3.382 20 30 CGEDMO CS[C@@H]1CCCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000134549297 371349108 /nfs/dbraw/zinc/34/91/08/371349108.db2.gz PISQBOGYEMMJRA-OAHLLOKOSA-N 1 1 278.396 3.415 20 30 CGEDMO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000135292175 371410538 /nfs/dbraw/zinc/41/05/38/371410538.db2.gz WDBDHJFFMAUNGG-KGLIPLIRSA-N 1 1 272.392 3.097 20 30 CGEDMO C[C@@H]1[C@H](C)OCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000135292175 371410540 /nfs/dbraw/zinc/41/05/40/371410540.db2.gz WDBDHJFFMAUNGG-KGLIPLIRSA-N 1 1 272.392 3.097 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000288112910 371731326 /nfs/dbraw/zinc/73/13/26/371731326.db2.gz HONGQCJDMAGGAM-WBVHZDCISA-N 1 1 286.419 3.122 20 30 CGEDMO C=CCC[C@H]([NH2+]Cc1cc(C)nn1C)c1ccco1 ZINC000287632114 371685922 /nfs/dbraw/zinc/68/59/22/371685922.db2.gz UGEXGYDQSARGRN-AWEZNQCLSA-N 1 1 259.353 3.119 20 30 CGEDMO C=C(C)CCNc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000288628440 371742053 /nfs/dbraw/zinc/74/20/53/371742053.db2.gz AOIWNBGPCILPCN-HNNXBMFYSA-N 1 1 274.408 3.458 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccncc2)s1 ZINC000289923995 371853295 /nfs/dbraw/zinc/85/32/95/371853295.db2.gz VZNHGNKDIZRWKK-OAHLLOKOSA-N 1 1 269.373 3.352 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccncc2)s1 ZINC000289923995 371853303 /nfs/dbraw/zinc/85/33/03/371853303.db2.gz VZNHGNKDIZRWKK-OAHLLOKOSA-N 1 1 269.373 3.352 20 30 CGEDMO C[N@H+](CCOCc1ccccc1)Cc1ccccc1C#N ZINC000154639414 371863402 /nfs/dbraw/zinc/86/34/02/371863402.db2.gz UAIJNVQOZMOKEN-UHFFFAOYSA-N 1 1 280.371 3.207 20 30 CGEDMO C[N@@H+](CCOCc1ccccc1)Cc1ccccc1C#N ZINC000154639414 371863411 /nfs/dbraw/zinc/86/34/11/371863411.db2.gz UAIJNVQOZMOKEN-UHFFFAOYSA-N 1 1 280.371 3.207 20 30 CGEDMO Cc1ccn2cc(C[NH2+][C@H](C)c3cccc(C#N)c3)nc2c1 ZINC000344065624 217035464 /nfs/dbraw/zinc/03/54/64/217035464.db2.gz CJQQBMAERAHPHQ-CQSZACIVSA-N 1 1 290.370 3.365 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1cccc(C#N)c1)C[C@@H]1CC=CCC1 ZINC000344076925 217038803 /nfs/dbraw/zinc/03/88/03/217038803.db2.gz WFWLTLZQWAWCHG-OAHLLOKOSA-N 1 1 297.402 3.175 20 30 CGEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000344084628 217042857 /nfs/dbraw/zinc/04/28/57/217042857.db2.gz GIUHBTJCUOGMFG-ZDUSSCGKSA-N 1 1 258.340 3.319 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000155136935 371906902 /nfs/dbraw/zinc/90/69/02/371906902.db2.gz IAASXXJLJGKFQM-NSHDSACASA-N 1 1 282.334 3.190 20 30 CGEDMO CC#CCC[N@@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000158041270 372047484 /nfs/dbraw/zinc/04/74/84/372047484.db2.gz CPJKDIWXKNBZDO-HNNXBMFYSA-N 1 1 297.320 3.492 20 30 CGEDMO CC#CCC[N@H+]1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000158041270 372047489 /nfs/dbraw/zinc/04/74/89/372047489.db2.gz CPJKDIWXKNBZDO-HNNXBMFYSA-N 1 1 297.320 3.492 20 30 CGEDMO COc1cccc(C[N@H+](CCC#N)CC(C)(C)C)c1 ZINC000157243100 372011843 /nfs/dbraw/zinc/01/18/43/372011843.db2.gz ZEXLPHNCALOYQW-UHFFFAOYSA-N 1 1 260.381 3.457 20 30 CGEDMO COc1cccc(C[N@@H+](CCC#N)CC(C)(C)C)c1 ZINC000157243100 372011845 /nfs/dbraw/zinc/01/18/45/372011845.db2.gz ZEXLPHNCALOYQW-UHFFFAOYSA-N 1 1 260.381 3.457 20 30 CGEDMO C=CCC1(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CCCCC1 ZINC000425065234 372109075 /nfs/dbraw/zinc/10/90/75/372109075.db2.gz KNLTXICWQOKKPM-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO O[C@@H]1CCCC[C@@H]1[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1 ZINC000291080062 372112364 /nfs/dbraw/zinc/11/23/64/372112364.db2.gz GLYNGVYMVNQCMD-HSALFYBXSA-N 1 1 297.442 3.444 20 30 CGEDMO CC[N@@H+](CCc1nccs1)Cc1ccc(C#N)cc1 ZINC000159175503 372112641 /nfs/dbraw/zinc/11/26/41/372112641.db2.gz VFBFPVRIDOZATD-UHFFFAOYSA-N 1 1 271.389 3.079 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccccc1OCCOC ZINC000159006939 372099293 /nfs/dbraw/zinc/09/92/93/372099293.db2.gz XMUQXXZCJRQQNA-UHFFFAOYSA-N 1 1 263.381 3.110 20 30 CGEDMO CN(C)c1cccc(C[N@H+](C)Cc2ccc(F)cc2C#N)c1 ZINC000159055830 372102741 /nfs/dbraw/zinc/10/27/41/372102741.db2.gz ZAQOVSNBLRJTKU-UHFFFAOYSA-N 1 1 297.377 3.395 20 30 CGEDMO CN(C)c1cccc(C[N@@H+](C)Cc2ccc(F)cc2C#N)c1 ZINC000159055830 372102746 /nfs/dbraw/zinc/10/27/46/372102746.db2.gz ZAQOVSNBLRJTKU-UHFFFAOYSA-N 1 1 297.377 3.395 20 30 CGEDMO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)c1ccc2n[nH]cc2c1 ZINC000428985549 372298190 /nfs/dbraw/zinc/29/81/90/372298190.db2.gz KHMMHWHVBCXIKE-LLVKDONJSA-N 1 1 294.333 3.424 20 30 CGEDMO CC[C@H](C)C[N@@H+](CC)[C@@H](C)C(=O)NC1(C#N)CCCCC1 ZINC000160558254 372257758 /nfs/dbraw/zinc/25/77/58/372257758.db2.gz ZTPAELSCTXSEBG-GJZGRUSLSA-N 1 1 293.455 3.086 20 30 CGEDMO Cc1ccc(C#N)c(NCCCC[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000160621023 372262946 /nfs/dbraw/zinc/26/29/46/372262946.db2.gz ICNBIASBUHTENT-CQSZACIVSA-N 1 1 286.423 3.186 20 30 CGEDMO C[C@@H]1CCC[C@H](C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 ZINC000428785658 372263574 /nfs/dbraw/zinc/26/35/74/372263574.db2.gz VEHLWIYDEWUHOR-VYDXJSESSA-N 1 1 299.418 3.233 20 30 CGEDMO C[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000429580204 372375631 /nfs/dbraw/zinc/37/56/31/372375631.db2.gz TVTMAGWZNNIHPQ-NVXWUHKLSA-N 1 1 299.418 3.054 20 30 CGEDMO C=CCCC[N@@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430342343 372388606 /nfs/dbraw/zinc/38/86/06/372388606.db2.gz JTZRSSSQKRNWIU-UHFFFAOYSA-N 1 1 281.403 3.488 20 30 CGEDMO CC[N@@H+](C[C@@H](C)C#N)C[C@H]1CCOc2ccccc21 ZINC000162759338 372417912 /nfs/dbraw/zinc/41/79/12/372417912.db2.gz NWLDGJIBTFRMDA-UONOGXRCSA-N 1 1 258.365 3.034 20 30 CGEDMO C=CCOCCC[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433072008 372579387 /nfs/dbraw/zinc/57/93/87/372579387.db2.gz MNHJOTKVPJLWRZ-QGZVFWFLSA-N 1 1 259.393 3.459 20 30 CGEDMO COc1ccc(C[N@H+]2C[C@H](C)C[C@@H](C)[C@@H]2C)cc1C#N ZINC000166722640 372580555 /nfs/dbraw/zinc/58/05/55/372580555.db2.gz PPQCRXBZWANKEN-MCIONIFRSA-N 1 1 272.392 3.433 20 30 CGEDMO CCCOc1ccc(OCC[N@H+](C)CC(C)(C)C#N)cc1 ZINC000433289418 372585812 /nfs/dbraw/zinc/58/58/12/372585812.db2.gz PNYKOGIXLGMNNR-UHFFFAOYSA-N 1 1 290.407 3.336 20 30 CGEDMO CCCOc1ccc(OCC[N@@H+](C)CC(C)(C)C#N)cc1 ZINC000433289418 372585815 /nfs/dbraw/zinc/58/58/15/372585815.db2.gz PNYKOGIXLGMNNR-UHFFFAOYSA-N 1 1 290.407 3.336 20 30 CGEDMO CC(C)(C#N)C[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000168924400 372623318 /nfs/dbraw/zinc/62/33/18/372623318.db2.gz GSOHDOXEYQDXIL-UHFFFAOYSA-N 1 1 256.271 3.345 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@H](Nc3ccccc3)C2)c(F)c1 ZINC000170688709 372650578 /nfs/dbraw/zinc/65/05/78/372650578.db2.gz IVRDRXWXKKOAGR-KRWDZBQOSA-N 1 1 295.361 3.384 20 30 CGEDMO C#CC[N@@H+](C)CCCN[C@H](C)c1csc(Cl)c1 ZINC000295004306 372686138 /nfs/dbraw/zinc/68/61/38/372686138.db2.gz MFXIRGWCWXLXOY-LLVKDONJSA-N 1 1 270.829 3.007 20 30 CGEDMO C#CC[N@H+](C)CCCN[C@H](C)c1csc(Cl)c1 ZINC000295004306 372686144 /nfs/dbraw/zinc/68/61/44/372686144.db2.gz MFXIRGWCWXLXOY-LLVKDONJSA-N 1 1 270.829 3.007 20 30 CGEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)C1CCCCCC1 ZINC000053906732 541879918 /nfs/dbraw/zinc/87/99/18/541879918.db2.gz HCRUCEKLCAYOBS-UHFFFAOYSA-N 1 1 266.429 3.066 20 30 CGEDMO C=CCCCN(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435687999 372795980 /nfs/dbraw/zinc/79/59/80/372795980.db2.gz LAALJAOHIPQHKH-CQSZACIVSA-N 1 1 291.464 3.053 20 30 CGEDMO CC[N@@H+](CC1CCOCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000171824896 372833967 /nfs/dbraw/zinc/83/39/67/372833967.db2.gz LKACZNTURCFYOF-CQSZACIVSA-N 1 1 272.392 3.368 20 30 CGEDMO C=CC[N@@H+](CC[C@@H]1CCOC1)Cc1cccs1 ZINC000437592117 372853371 /nfs/dbraw/zinc/85/33/71/372853371.db2.gz QPDKHLNAIIIHQV-CYBMUJFWSA-N 1 1 251.395 3.163 20 30 CGEDMO COc1ccc(Cn2c[nH+]c3c2C[C@H](C)[C@H](C)C3)cc1C#N ZINC000295913804 372955806 /nfs/dbraw/zinc/95/58/06/372955806.db2.gz JEOBUZZJYDVKKW-OLZOCXBDSA-N 1 1 295.386 3.182 20 30 CGEDMO CCC[N@@H+](CC#Cc1ccccc1Cl)CC(C)(C)O ZINC000441151553 372998668 /nfs/dbraw/zinc/99/86/68/372998668.db2.gz GEMSMBJFTPOHBK-UHFFFAOYSA-N 1 1 279.811 3.174 20 30 CGEDMO C=CCOCCC[N@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000440550939 372987513 /nfs/dbraw/zinc/98/75/13/372987513.db2.gz MAWPQKHLXBBFRK-RYRKJORJSA-N 1 1 293.451 3.249 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1C(C)(C)CC ZINC000441663972 373030568 /nfs/dbraw/zinc/03/05/68/373030568.db2.gz FGQFPJOWUZBECF-HNNXBMFYSA-N 1 1 278.440 3.088 20 30 CGEDMO C[C@H](CC[NH2+][C@@H]1CC[C@@H](C#N)C1)N(C)Cc1ccccc1 ZINC000442767069 373075918 /nfs/dbraw/zinc/07/59/18/373075918.db2.gz LZBGCHAMSNZNBK-KBAYOESNSA-N 1 1 285.435 3.179 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC000296313307 373087570 /nfs/dbraw/zinc/08/75/70/373087570.db2.gz OJHQRAQTYCZZIY-CQSZACIVSA-N 1 1 253.773 3.271 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)Cc1cc(C(F)(F)F)n[nH]1 ZINC000442831094 373099210 /nfs/dbraw/zinc/09/92/10/373099210.db2.gz VDBVAPHWHKKBAA-UHFFFAOYSA-N 1 1 299.296 3.252 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)Cc1cc(C(F)(F)F)n[nH]1 ZINC000442831094 373099219 /nfs/dbraw/zinc/09/92/19/373099219.db2.gz VDBVAPHWHKKBAA-UHFFFAOYSA-N 1 1 299.296 3.252 20 30 CGEDMO COc1cc(C#N)ccc1C[NH2+]C(C)(C)c1c(C)noc1C ZINC000353548841 220150491 /nfs/dbraw/zinc/15/04/91/220150491.db2.gz HQZLUKDZCWLQFW-UHFFFAOYSA-N 1 1 299.374 3.197 20 30 CGEDMO COc1cc(C[N@@H+](C)[C@H]2CC[C@H](C)C2)ccc1C#N ZINC000443062630 373147994 /nfs/dbraw/zinc/14/79/94/373147994.db2.gz LYEQHCFHHOYMFJ-WFASDCNBSA-N 1 1 258.365 3.187 20 30 CGEDMO C=CC[C@@H]1[N@H+](CCC(=O)N2CCCCC2)CCCC1(C)C ZINC000444776797 373271183 /nfs/dbraw/zinc/27/11/83/373271183.db2.gz DLOFXHDWFXFAFZ-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+](CC)[C@H]1CCCC[C@@H]1C ZINC000444670118 373227396 /nfs/dbraw/zinc/22/73/96/373227396.db2.gz FCKQHTXAAYGBKB-HOTGVXAUSA-N 1 1 278.440 3.088 20 30 CGEDMO C[N@H+]1CCN(Cc2ccc(C#N)cc2F)c2ccccc2C1 ZINC000353588074 220173009 /nfs/dbraw/zinc/17/30/09/220173009.db2.gz LDXHBHUOESOHQJ-UHFFFAOYSA-N 1 1 295.361 3.149 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000296751653 373234888 /nfs/dbraw/zinc/23/48/88/373234888.db2.gz PTCONFKPTUBTLH-HUUCEWRRSA-N 1 1 283.419 3.035 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCN(C2CC2)C[C@H](C)C1 ZINC000296751653 373234894 /nfs/dbraw/zinc/23/48/94/373234894.db2.gz PTCONFKPTUBTLH-HUUCEWRRSA-N 1 1 283.419 3.035 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCN(C2CC2)C[C@H](C)C1 ZINC000296751653 373234897 /nfs/dbraw/zinc/23/48/97/373234897.db2.gz PTCONFKPTUBTLH-HUUCEWRRSA-N 1 1 283.419 3.035 20 30 CGEDMO CCC[C@@]1(CO)CCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000444766764 373263965 /nfs/dbraw/zinc/26/39/65/373263965.db2.gz PDPYFXPTGKLCNA-KRWDZBQOSA-N 1 1 291.822 3.319 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2cccc(OCC(F)F)c2)o1 ZINC000174356326 373299668 /nfs/dbraw/zinc/29/96/68/373299668.db2.gz MOXXKYDRUCLCHI-UHFFFAOYSA-N 1 1 292.285 3.085 20 30 CGEDMO CC1(C#N)CC[NH+](Cc2cncn2Cc2ccccc2)CC1 ZINC000445821036 373317124 /nfs/dbraw/zinc/31/71/24/373317124.db2.gz XJHIUGNSLILWKG-UHFFFAOYSA-N 1 1 294.402 3.057 20 30 CGEDMO C=CCC[N@@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000174990667 373391833 /nfs/dbraw/zinc/39/18/33/373391833.db2.gz YHZUQHFDSYDJBZ-UHFFFAOYSA-N 1 1 250.289 3.170 20 30 CGEDMO C=CCC[N@H+](C)Cc1nc(C(F)(F)F)cs1 ZINC000174990667 373391841 /nfs/dbraw/zinc/39/18/41/373391841.db2.gz YHZUQHFDSYDJBZ-UHFFFAOYSA-N 1 1 250.289 3.170 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c(F)c1 ZINC000298746943 373398359 /nfs/dbraw/zinc/39/83/59/373398359.db2.gz DMJAXVZMQXAZIG-INIZCTEOSA-N 1 1 269.323 3.363 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)c(F)c1 ZINC000298746943 373398364 /nfs/dbraw/zinc/39/83/64/373398364.db2.gz DMJAXVZMQXAZIG-INIZCTEOSA-N 1 1 269.323 3.363 20 30 CGEDMO N#Cc1ccccc1OCC[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000299061981 373452816 /nfs/dbraw/zinc/45/28/16/373452816.db2.gz NPMPYMWEAIQFKY-INIZCTEOSA-N 1 1 281.359 3.102 20 30 CGEDMO C=CC[N@@H+](Cc1nc([C@@H](C)OC)no1)CC1CCCCC1 ZINC000175225198 373434384 /nfs/dbraw/zinc/43/43/84/373434384.db2.gz AQPRHQZLGGCUPX-CYBMUJFWSA-N 1 1 293.411 3.345 20 30 CGEDMO C=CC[N@H+](Cc1nc([C@@H](C)OC)no1)CC1CCCCC1 ZINC000175225198 373434389 /nfs/dbraw/zinc/43/43/89/373434389.db2.gz AQPRHQZLGGCUPX-CYBMUJFWSA-N 1 1 293.411 3.345 20 30 CGEDMO Cc1cc(C[N@@H+]2CCO[C@H](C(C)(C)C)C2)ccc1C#N ZINC000447846772 373508627 /nfs/dbraw/zinc/50/86/27/373508627.db2.gz CCLJDGYXJLHSDM-INIZCTEOSA-N 1 1 272.392 3.114 20 30 CGEDMO Cc1cc(C[N@H+]2CCO[C@H](C(C)(C)C)C2)ccc1C#N ZINC000447846772 373508634 /nfs/dbraw/zinc/50/86/34/373508634.db2.gz CCLJDGYXJLHSDM-INIZCTEOSA-N 1 1 272.392 3.114 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449026386 373656169 /nfs/dbraw/zinc/65/61/69/373656169.db2.gz FOBZILQNXAVMAS-AWEZNQCLSA-N 1 1 295.448 3.092 20 30 CGEDMO CCCC[N@H+]1CCCC[C@@H]1CNc1ncccc1C#N ZINC000301123116 373669220 /nfs/dbraw/zinc/66/92/20/373669220.db2.gz NEEVICZIGJCODL-OAHLLOKOSA-N 1 1 272.396 3.020 20 30 CGEDMO COc1nccnc1C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000449339946 373682758 /nfs/dbraw/zinc/68/27/58/373682758.db2.gz LVWQRHHIZXLNNR-OAHLLOKOSA-N 1 1 296.374 3.010 20 30 CGEDMO CCCC[N@@H+](C)CCNc1ccc(C#N)c(Cl)c1 ZINC000301222339 373695940 /nfs/dbraw/zinc/69/59/40/373695940.db2.gz CQNPLNGEVNUMPE-UHFFFAOYSA-N 1 1 265.788 3.355 20 30 CGEDMO C[C@]1(O)CC[N@@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000178005045 373735087 /nfs/dbraw/zinc/73/50/87/373735087.db2.gz KTDHFCHFRULKLN-IBGZPJMESA-N 1 1 292.382 3.182 20 30 CGEDMO Cc1cc(C[N@H+]2CCSC[C@@H]2C2CC2)ccc1C#N ZINC000449527417 373826367 /nfs/dbraw/zinc/82/63/67/373826367.db2.gz IDBGUKUVHGYRKV-MRXNPFEDSA-N 1 1 272.417 3.194 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@@H](OCC)[C@H](C)C1 ZINC000449491785 373780772 /nfs/dbraw/zinc/78/07/72/373780772.db2.gz HYDSXQLHGAMMLJ-NVXWUHKLSA-N 1 1 289.419 3.498 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](OC)[C@@H](C)C2)cc1 ZINC000449491901 373782133 /nfs/dbraw/zinc/78/21/33/373782133.db2.gz BAFLLGXJKGUZGW-YOEHRIQHSA-N 1 1 275.392 3.108 20 30 CGEDMO CCO[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(C)c2)C[C@H]1C ZINC000449497975 373794037 /nfs/dbraw/zinc/79/40/37/373794037.db2.gz KXHAKMHOVHYRKQ-RHSMWYFYSA-N 1 1 272.392 3.114 20 30 CGEDMO C=CC[NH+]1CCC(N[C@@H](CCC)c2ccccn2)CC1 ZINC000179470874 373876818 /nfs/dbraw/zinc/87/68/18/373876818.db2.gz PLNBRZOKBDTSQD-KRWDZBQOSA-N 1 1 273.424 3.163 20 30 CGEDMO C=CCn1c(C)cc(C(=O)C[N@H+](C)C[C@@H](C)CC)c1C ZINC000303484816 374018221 /nfs/dbraw/zinc/01/82/21/374018221.db2.gz QSWBTQHLOFCEJT-ZDUSSCGKSA-N 1 1 276.424 3.452 20 30 CGEDMO COc1cccc2c1CC[N@@H+](CC(C)(C)CCC#N)C2 ZINC000180785986 374046785 /nfs/dbraw/zinc/04/67/85/374046785.db2.gz NEXOTTOTHBIVLT-UHFFFAOYSA-N 1 1 272.392 3.383 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000181382348 374116282 /nfs/dbraw/zinc/11/62/82/374116282.db2.gz HHGBZKDHKIQENV-HOTGVXAUSA-N 1 1 295.471 3.105 20 30 CGEDMO C[C@@H]1[C@H](Nc2cccc(Cl)c2C#N)CCC[N@H+]1C ZINC000450434206 374127243 /nfs/dbraw/zinc/12/72/43/374127243.db2.gz GCEYGPGGFPNIPW-ZWNOBZJWSA-N 1 1 263.772 3.106 20 30 CGEDMO CC[C@H](CN[C@H](C)c1ccc(C#N)cc1)[NH+]1CCCC1 ZINC000181477099 374128498 /nfs/dbraw/zinc/12/84/98/374128498.db2.gz FPARMYCCRAEMLG-RHSMWYFYSA-N 1 1 271.408 3.083 20 30 CGEDMO C[C@@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@@H]1CO ZINC000305699595 374097436 /nfs/dbraw/zinc/09/74/36/374097436.db2.gz BEGDBYLJKICILY-RHSMWYFYSA-N 1 1 286.419 3.081 20 30 CGEDMO COc1ccccc1C[C@H](C)[N@@H+](C)CC1(C#N)CCC1 ZINC000450442251 374133231 /nfs/dbraw/zinc/13/32/31/374133231.db2.gz SEUAFPFRVDODAR-AWEZNQCLSA-N 1 1 272.392 3.252 20 30 CGEDMO C=CCC1(C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)CCCCC1 ZINC000450572335 374162061 /nfs/dbraw/zinc/16/20/61/374162061.db2.gz ULPMIQXTFZIJHJ-HUUCEWRRSA-N 1 1 278.440 3.064 20 30 CGEDMO CC[C@H]1CN(c2ccccc2)CC[N@@H+]1CC1(C#N)CCC1 ZINC000450749248 374176655 /nfs/dbraw/zinc/17/66/55/374176655.db2.gz XMZKWUWMUTZIQE-INIZCTEOSA-N 1 1 283.419 3.281 20 30 CGEDMO CC[C@H]1CN(c2ccccc2)CC[N@H+]1CC1(C#N)CCC1 ZINC000450749248 374176657 /nfs/dbraw/zinc/17/66/57/374176657.db2.gz XMZKWUWMUTZIQE-INIZCTEOSA-N 1 1 283.419 3.281 20 30 CGEDMO Cc1cnc(C[NH2+][C@@H](C)c2cccc(C#N)c2)s1 ZINC000181983965 374200454 /nfs/dbraw/zinc/20/04/54/374200454.db2.gz WJGLUABFXWTCJI-NSHDSACASA-N 1 1 257.362 3.174 20 30 CGEDMO C[C@H](C1CCC1)[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000325590274 374358041 /nfs/dbraw/zinc/35/80/41/374358041.db2.gz QLFWGDJQBQFKMS-CQSZACIVSA-N 1 1 272.392 3.448 20 30 CGEDMO C[C@H](c1ccncc1)[N@H+](C)Cc1cc(C#N)cs1 ZINC000183704904 374444271 /nfs/dbraw/zinc/44/42/71/374444271.db2.gz NQJAATGSRSAXQS-LLVKDONJSA-N 1 1 257.362 3.208 20 30 CGEDMO C[C@H](c1ccncc1)[N@@H+](C)Cc1cc(C#N)cs1 ZINC000183704904 374444280 /nfs/dbraw/zinc/44/42/80/374444280.db2.gz NQJAATGSRSAXQS-LLVKDONJSA-N 1 1 257.362 3.208 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+](C)CCc2ccncc2)cc1 ZINC000183753692 374451930 /nfs/dbraw/zinc/45/19/30/374451930.db2.gz PIPTXILMQOAOON-UHFFFAOYSA-N 1 1 294.398 3.158 20 30 CGEDMO CCCOc1c(Cl)cc(C[NH2+]C[C@@H](C)C#N)cc1OC ZINC000183820942 374461695 /nfs/dbraw/zinc/46/16/95/374461695.db2.gz JBOXQGODPWNESZ-NSHDSACASA-N 1 1 296.798 3.387 20 30 CGEDMO CC1(C)CCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000330939174 374490550 /nfs/dbraw/zinc/49/05/50/374490550.db2.gz CMTGIFVAZGZBMT-UHFFFAOYSA-N 1 1 296.374 3.230 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2ccc(C(F)F)cc2)o1 ZINC000185177035 374601675 /nfs/dbraw/zinc/60/16/75/374601675.db2.gz YNCAYRQRQALNOE-UHFFFAOYSA-N 1 1 262.259 3.379 20 30 CGEDMO C=CCC[C@@H](O)C[NH2+][C@@H](C)c1nc(C2CCCCC2)no1 ZINC000185274238 374625816 /nfs/dbraw/zinc/62/58/16/374625816.db2.gz YMWAQEKDCCBRSL-GXTWGEPZSA-N 1 1 293.411 3.095 20 30 CGEDMO C=C1CC[NH+](Cc2cnc(-c3ccccc3)nc2)CC1 ZINC000334399319 374716322 /nfs/dbraw/zinc/71/63/22/374716322.db2.gz MISKUXXPRSITBT-UHFFFAOYSA-N 1 1 265.360 3.296 20 30 CGEDMO C[C@H](C1CC1)[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1CC1 ZINC000459305172 374802401 /nfs/dbraw/zinc/80/24/01/374802401.db2.gz PYSZCFLAGLPUBO-LLVKDONJSA-N 1 1 285.347 3.229 20 30 CGEDMO C[C@H](C1CC1)[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1CC1 ZINC000459305172 374802405 /nfs/dbraw/zinc/80/24/05/374802405.db2.gz PYSZCFLAGLPUBO-LLVKDONJSA-N 1 1 285.347 3.229 20 30 CGEDMO C[C@H](C1CCC1)[N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459374971 374805533 /nfs/dbraw/zinc/80/55/33/374805533.db2.gz PKQBABVGKRCLIM-LLVKDONJSA-N 1 1 273.336 3.087 20 30 CGEDMO C[C@H](C1CCC1)[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459374971 374805542 /nfs/dbraw/zinc/80/55/42/374805542.db2.gz PKQBABVGKRCLIM-LLVKDONJSA-N 1 1 273.336 3.087 20 30 CGEDMO N#Cc1ccc2c(c1)[C@H]([N@H+]1CCC[C@]3(CCOC3)C1)CC2 ZINC000334531819 374828351 /nfs/dbraw/zinc/82/83/51/374828351.db2.gz VFJMHIRXAFVIRW-MSOLQXFVSA-N 1 1 282.387 3.048 20 30 CGEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1cc(C#N)cs1 ZINC000334583226 374882353 /nfs/dbraw/zinc/88/23/53/374882353.db2.gz ZJXHSNHMQLOFHK-AWEZNQCLSA-N 1 1 286.404 3.297 20 30 CGEDMO C=CCC[N@@H+](C)Cc1nc(-c2ccc(CC)cc2)no1 ZINC000467299067 374974607 /nfs/dbraw/zinc/97/46/07/374974607.db2.gz HOVINLRZWGKGHN-UHFFFAOYSA-N 1 1 271.364 3.307 20 30 CGEDMO C=CCC[N@H+](C)Cc1nc(-c2ccc(CC)cc2)no1 ZINC000467299067 374974613 /nfs/dbraw/zinc/97/46/13/374974613.db2.gz HOVINLRZWGKGHN-UHFFFAOYSA-N 1 1 271.364 3.307 20 30 CGEDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C[C@@H](C)C#N ZINC000470174395 374995938 /nfs/dbraw/zinc/99/59/38/374995938.db2.gz KLQNIMSBYNQHCG-OTAKNEKHSA-N 1 1 273.336 3.090 20 30 CGEDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@@H](C)C#N ZINC000470174395 374995942 /nfs/dbraw/zinc/99/59/42/374995942.db2.gz KLQNIMSBYNQHCG-OTAKNEKHSA-N 1 1 273.336 3.090 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000470773265 374999276 /nfs/dbraw/zinc/99/92/76/374999276.db2.gz OCYZBUZJDKWWND-HNNXBMFYSA-N 1 1 263.356 3.208 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+](CC(=C)C)Cc1ccccc1 ZINC000470924905 375000889 /nfs/dbraw/zinc/00/08/89/375000889.db2.gz AZYPFIAWCPXYHB-QGZVFWFLSA-N 1 1 259.393 3.392 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1cccnc1 ZINC000187404309 375016579 /nfs/dbraw/zinc/01/65/79/375016579.db2.gz SKGDYJJBKVTQGJ-LLVKDONJSA-N 1 1 271.751 3.457 20 30 CGEDMO C[C@H]([NH2+]Cc1ccc(Cl)cc1C#N)c1cccnc1 ZINC000187404290 375017066 /nfs/dbraw/zinc/01/70/66/375017066.db2.gz SKGDYJJBKVTQGJ-NSHDSACASA-N 1 1 271.751 3.457 20 30 CGEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000472775669 375033379 /nfs/dbraw/zinc/03/33/79/375033379.db2.gz SJLGALNYJPXZIZ-ZWKOTPCHSA-N 1 1 273.420 3.411 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000472775662 375034147 /nfs/dbraw/zinc/03/41/47/375034147.db2.gz SJLGALNYJPXZIZ-MSOLQXFVSA-N 1 1 273.420 3.411 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCc1nccs1 ZINC000187711034 375078579 /nfs/dbraw/zinc/07/85/79/375078579.db2.gz PKUSWRKXJSJXGE-LBPRGKRZSA-N 1 1 271.389 3.250 20 30 CGEDMO CC#CC[N@H+](Cc1ccc(OC)cc1OC)C(C)(C)C ZINC000474170870 375086795 /nfs/dbraw/zinc/08/67/95/375086795.db2.gz PUDPNMLSXOODNP-UHFFFAOYSA-N 1 1 275.392 3.328 20 30 CGEDMO Cc1cc(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)ccc1C#N ZINC000335110061 375139802 /nfs/dbraw/zinc/13/98/02/375139802.db2.gz YRLDCWDISAWQCE-GOSISDBHSA-N 1 1 296.414 3.258 20 30 CGEDMO C[N@@H+](CC#Cc1ccccc1Cl)C[C@H]1CCCC[C@H]1O ZINC000481348054 375163838 /nfs/dbraw/zinc/16/38/38/375163838.db2.gz MXVDJMZCOBUIIX-NVXWUHKLSA-N 1 1 291.822 3.174 20 30 CGEDMO C(#Cc1ccccc1)C[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000483943398 375184808 /nfs/dbraw/zinc/18/48/08/375184808.db2.gz PWKCBIQEVMNPHR-LJQANCHMSA-N 1 1 261.368 3.355 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccc(Br)cc1C ZINC000483409385 375179523 /nfs/dbraw/zinc/17/95/23/375179523.db2.gz QJLKMXRJUGUIAT-UHFFFAOYSA-N 1 1 298.224 3.392 20 30 CGEDMO C=CC[N@H+](CCOC)C[C@H](C)Cc1ccc(OC)c(F)c1 ZINC000483399057 375180215 /nfs/dbraw/zinc/18/02/15/375180215.db2.gz AOYZBHZNXHZECU-CQSZACIVSA-N 1 1 295.398 3.147 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cc2c(ccc(C)c2C)[nH]1 ZINC000483426279 375180890 /nfs/dbraw/zinc/18/08/90/375180890.db2.gz MNSZKQJTPOUEAZ-UHFFFAOYSA-N 1 1 272.392 3.419 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000188570005 375232336 /nfs/dbraw/zinc/23/23/36/375232336.db2.gz WZUDRLLQXVITLL-CRAIPNDOSA-N 1 1 288.435 3.225 20 30 CGEDMO COCC[N@@H+](CC#Cc1ccc(F)cc1)[C@H]1CCC[C@H]1C ZINC000487946702 375287685 /nfs/dbraw/zinc/28/76/85/375287685.db2.gz BXPRTCQUXZGWBY-QAPCUYQASA-N 1 1 289.394 3.314 20 30 CGEDMO COCC[N@@H+](Cc1cccc(C#N)c1)[C@H]1CCC[C@@H]1C ZINC000487989838 375291923 /nfs/dbraw/zinc/29/19/23/375291923.db2.gz QGVSLJCYODZWBQ-YOEHRIQHSA-N 1 1 272.392 3.195 20 30 CGEDMO C=CCCC[N@H+](CCO)Cc1cccc(Br)c1 ZINC000488223708 375307019 /nfs/dbraw/zinc/30/70/19/375307019.db2.gz AWYGCUBCKQGRRW-UHFFFAOYSA-N 1 1 298.224 3.210 20 30 CGEDMO C[C@H]1CSCC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000488246722 375307189 /nfs/dbraw/zinc/30/71/89/375307189.db2.gz UTHYNZGGTIMWGH-CYBMUJFWSA-N 1 1 279.836 3.376 20 30 CGEDMO C[C@H]1CSCC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000488246722 375307195 /nfs/dbraw/zinc/30/71/95/375307195.db2.gz UTHYNZGGTIMWGH-CYBMUJFWSA-N 1 1 279.836 3.376 20 30 CGEDMO CCC[N@@H+](CC[C@H]1CCCO1)Cc1ccc(C#N)cc1 ZINC000188737440 375263083 /nfs/dbraw/zinc/26/30/83/375263083.db2.gz RWXGBLOLRPKKQZ-QGZVFWFLSA-N 1 1 272.392 3.339 20 30 CGEDMO Cc1cc(C[NH+]2CC3(CCC3(F)F)C2)ccc1C#N ZINC000335750781 375399346 /nfs/dbraw/zinc/39/93/46/375399346.db2.gz HNSIEKMHWTUGBO-UHFFFAOYSA-N 1 1 262.303 3.098 20 30 CGEDMO C[N@@H+](CCCSCC#N)Cc1cccc2[nH]ccc21 ZINC000494006913 375485112 /nfs/dbraw/zinc/48/51/12/375485112.db2.gz MOJYDHVKGVCHMC-UHFFFAOYSA-N 1 1 273.405 3.247 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](C)C/C(C)=C\c1ccccc1 ZINC000494232990 375486023 /nfs/dbraw/zinc/48/60/23/375486023.db2.gz FHDXKOYZCOFSKZ-KSVUCXBSSA-N 1 1 259.393 3.349 20 30 CGEDMO C=CC[N@@H+](C)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000494627088 375490256 /nfs/dbraw/zinc/49/02/56/375490256.db2.gz VNEXYUHPELXZDF-UHFFFAOYSA-N 1 1 294.398 3.010 20 30 CGEDMO C=CC[N@H+](C)CC(=O)NC(c1ccccc1)c1ccccc1 ZINC000494627088 375490258 /nfs/dbraw/zinc/49/02/58/375490258.db2.gz VNEXYUHPELXZDF-UHFFFAOYSA-N 1 1 294.398 3.010 20 30 CGEDMO C=C(C)CN(C)[C@H]1CCCC[C@@H]1[N@@H+](C)CC(=C)C ZINC000495406074 375500415 /nfs/dbraw/zinc/50/04/15/375500415.db2.gz FDOIWUGGADPGBS-HOTGVXAUSA-N 1 1 250.430 3.313 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1nccn1-c1ccccc1 ZINC000191165530 375587073 /nfs/dbraw/zinc/58/70/73/375587073.db2.gz VUHXECZAKTVODQ-UHFFFAOYSA-N 1 1 255.365 3.270 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1nccn1-c1ccccc1 ZINC000191165530 375587082 /nfs/dbraw/zinc/58/70/82/375587082.db2.gz VUHXECZAKTVODQ-UHFFFAOYSA-N 1 1 255.365 3.270 20 30 CGEDMO CCN(C)c1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)cn1 ZINC000191226711 375598410 /nfs/dbraw/zinc/59/84/10/375598410.db2.gz YJEXLIZVQOBSFB-UHFFFAOYSA-N 1 1 294.402 3.041 20 30 CGEDMO N#Cc1csc(C[N@H+]2CCC[C@H]2C2CCCC2)n1 ZINC000336012639 375617615 /nfs/dbraw/zinc/61/76/15/375617615.db2.gz SJAHVKGKJVENKB-ZDUSSCGKSA-N 1 1 261.394 3.169 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+]1CC[C@](F)(c2ccccc2C)C1 ZINC000502874735 375648293 /nfs/dbraw/zinc/64/82/93/375648293.db2.gz IFWQSHIHBQSWGU-NVXWUHKLSA-N 1 1 277.383 3.193 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2C[C@@H](C)OC[C@H]2CC)c1 ZINC000505635609 375659557 /nfs/dbraw/zinc/65/95/57/375659557.db2.gz KLTFSOMYAFYOMP-GDBMZVCRSA-N 1 1 275.392 3.251 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cccc(OCCC)c1 ZINC000191760659 375661504 /nfs/dbraw/zinc/66/15/04/375661504.db2.gz GCALRLIGKJBIBI-UHFFFAOYSA-N 1 1 263.381 3.110 20 30 CGEDMO N#CCC(=O)Nc1ccc2nc(C3CCCCC3)[nH]c2c1 ZINC000336073141 375663539 /nfs/dbraw/zinc/66/35/39/375663539.db2.gz WHJSSUJUABLJLK-UHFFFAOYSA-N 1 1 282.347 3.463 20 30 CGEDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc(F)cc2C#N)CC1 ZINC000336087512 375676483 /nfs/dbraw/zinc/67/64/83/375676483.db2.gz AHHURNWXDOOVJW-INIZCTEOSA-N 1 1 276.355 3.088 20 30 CGEDMO C=C(C)C[NH2+]CC(C)(C)CN(C)Cc1ccccc1 ZINC000512395282 375796158 /nfs/dbraw/zinc/79/61/58/375796158.db2.gz RYOPRTGBAVLYCM-UHFFFAOYSA-N 1 1 260.425 3.310 20 30 CGEDMO Cc1cc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)no1 ZINC000336473396 375798587 /nfs/dbraw/zinc/79/85/87/375798587.db2.gz MOIZUSYJQREATB-INIZCTEOSA-N 1 1 267.332 3.022 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000519787395 375850946 /nfs/dbraw/zinc/85/09/46/375850946.db2.gz INRGUQJOTQFXQD-MRXNPFEDSA-N 1 1 256.393 3.090 20 30 CGEDMO C=CCCCCC[N@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000193399105 375873796 /nfs/dbraw/zinc/87/37/96/375873796.db2.gz JCIXUNZSKUEPCA-CVEARBPZSA-N 1 1 293.407 3.150 20 30 CGEDMO C=CCCCCC[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccco1 ZINC000193399105 375873802 /nfs/dbraw/zinc/87/38/02/375873802.db2.gz JCIXUNZSKUEPCA-CVEARBPZSA-N 1 1 293.407 3.150 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)N1CCC(C)CC1 ZINC000532586648 375952776 /nfs/dbraw/zinc/95/27/76/375952776.db2.gz XNGZIJSOCCBIID-MRXNPFEDSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000529719766 375934127 /nfs/dbraw/zinc/93/41/27/375934127.db2.gz QCYLDXPFRRSEEU-RDJZCZTQSA-N 1 1 278.440 3.112 20 30 CGEDMO Cc1c(C[N@@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cnn1C ZINC000336857187 376015119 /nfs/dbraw/zinc/01/51/19/376015119.db2.gz QUNNHKBOCWUZBP-MSOLQXFVSA-N 1 1 294.402 3.000 20 30 CGEDMO Cc1c(C[N@H+]2CCC[C@H]2[C@H](C#N)c2ccccc2)cnn1C ZINC000336857187 376015125 /nfs/dbraw/zinc/01/51/25/376015125.db2.gz QUNNHKBOCWUZBP-MSOLQXFVSA-N 1 1 294.402 3.000 20 30 CGEDMO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000336859262 376015665 /nfs/dbraw/zinc/01/56/65/376015665.db2.gz GFYXDDSZAXMPFF-ILXRZTDVSA-N 1 1 299.418 3.253 20 30 CGEDMO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc3ccccc3c2)C1=O ZINC000337130430 376089238 /nfs/dbraw/zinc/08/92/38/376089238.db2.gz JTDCHHSMGAJLQL-GOSISDBHSA-N 1 1 294.398 3.059 20 30 CGEDMO N#CC1(CCC[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)CCOCC1 ZINC000337133845 376091008 /nfs/dbraw/zinc/09/10/08/376091008.db2.gz BCGYTSQQXNCAFK-IYBDPMFKSA-N 1 1 276.424 3.209 20 30 CGEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)c2cc(C)ccc2C)C1=O ZINC000337136327 376092879 /nfs/dbraw/zinc/09/28/79/376092879.db2.gz NDKWOVKCIQAREZ-NVXWUHKLSA-N 1 1 286.419 3.083 20 30 CGEDMO C=CCN1CC[C@H]([N@H+](CC)[C@@H](CC)c2ccccc2)C1=O ZINC000337137571 376094023 /nfs/dbraw/zinc/09/40/23/376094023.db2.gz OFZASQHMXCHUSY-IRXDYDNUSA-N 1 1 286.419 3.247 20 30 CGEDMO C=CC[N@H+](CCOC)[C@H](CC)c1ccc(F)cc1 ZINC000195002485 376068287 /nfs/dbraw/zinc/06/82/87/376068287.db2.gz IPPVNEVFBYVYGG-OAHLLOKOSA-N 1 1 251.345 3.411 20 30 CGEDMO C=CC[N@@H+](CC(=O)N[C@@H](C)c1ccc(C)c(C)c1)C1CC1 ZINC000536742123 376128304 /nfs/dbraw/zinc/12/83/04/376128304.db2.gz RKQIGPAFEGUCSV-HNNXBMFYSA-N 1 1 286.419 3.131 20 30 CGEDMO C=CC[N@H+](CC(=O)N[C@@H](C)c1ccc(C)c(C)c1)C1CC1 ZINC000536742123 376128310 /nfs/dbraw/zinc/12/83/10/376128310.db2.gz RKQIGPAFEGUCSV-HNNXBMFYSA-N 1 1 286.419 3.131 20 30 CGEDMO C[C@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)CC1(C)C ZINC000337216331 376143843 /nfs/dbraw/zinc/14/38/43/376143843.db2.gz ZHWJPZUCARBQJP-HNNXBMFYSA-N 1 1 278.440 3.455 20 30 CGEDMO C=CCOc1cccc(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1 ZINC000537631898 376186648 /nfs/dbraw/zinc/18/66/48/376186648.db2.gz CEIYPPRYJZMRBI-IYBDPMFKSA-N 1 1 257.377 3.339 20 30 CGEDMO C[C@@H]1c2ccsc2CC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000218348619 376187542 /nfs/dbraw/zinc/18/75/42/376187542.db2.gz BDNPMWQLEDASSR-MLGOLLRUSA-N 1 1 298.411 3.272 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+]1CCN(CCOC)[C@H](CCC)C1 ZINC000538142388 376223688 /nfs/dbraw/zinc/22/36/88/376223688.db2.gz AGQDKOPVUWTFMB-DLBZAZTESA-N 1 1 282.472 3.164 20 30 CGEDMO C=CCCC[C@H](C)NC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000538285682 376229827 /nfs/dbraw/zinc/22/98/27/376229827.db2.gz ILHONMRKOFYVIL-JYJNAYRXSA-N 1 1 295.471 3.151 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@H](C3CC3)C2)cc1 ZINC000538753161 376270004 /nfs/dbraw/zinc/27/00/04/376270004.db2.gz ROVQHOAVKLYRIJ-INIZCTEOSA-N 1 1 257.377 3.483 20 30 CGEDMO C=CC[N@@H+](CCCO[C@H]1CCCCO1)CCc1ccco1 ZINC000338289573 376316277 /nfs/dbraw/zinc/31/62/77/376316277.db2.gz ITDJEWGWKAGJFJ-KRWDZBQOSA-N 1 1 293.407 3.243 20 30 CGEDMO CC[N@H+]1C[C@@H](C)N(c2ccc3cc(C#N)ccc3n2)C[C@H]1C ZINC000538978753 376284942 /nfs/dbraw/zinc/28/49/42/376284942.db2.gz JDKGBFGFWQWKAJ-ZIAGYGMSSA-N 1 1 294.402 3.025 20 30 CGEDMO C=CC[N@H+](CCc1ccnn1CC)Cc1cccs1 ZINC000338545616 376418603 /nfs/dbraw/zinc/41/86/03/376418603.db2.gz HCZPNGLNOITKQV-UHFFFAOYSA-N 1 1 275.421 3.195 20 30 CGEDMO C=C(CC)C[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000540203846 376365371 /nfs/dbraw/zinc/36/53/71/376365371.db2.gz AKCONFOPFIEKMV-QGZVFWFLSA-N 1 1 259.393 3.286 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000540339793 376371418 /nfs/dbraw/zinc/37/14/18/376371418.db2.gz ADMRTTRLVDUDCY-JYJNAYRXSA-N 1 1 251.414 3.480 20 30 CGEDMO CC1(C)CC[N@@H+](CCOc2ccccc2C#N)CCS1 ZINC000228088326 376426856 /nfs/dbraw/zinc/42/68/56/376426856.db2.gz LQBUAKCQGOZQDK-UHFFFAOYSA-N 1 1 290.432 3.155 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)c1 ZINC000334286100 206311415 /nfs/dbraw/zinc/31/14/15/206311415.db2.gz BZRXDPSFMDAIMC-ZWKOTPCHSA-N 1 1 296.345 3.005 20 30 CGEDMO N#Cc1cccc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccc(F)cc2)c1 ZINC000334286100 206311418 /nfs/dbraw/zinc/31/14/18/206311418.db2.gz BZRXDPSFMDAIMC-ZWKOTPCHSA-N 1 1 296.345 3.005 20 30 CGEDMO CCOC(=O)CCC[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000338744452 376512001 /nfs/dbraw/zinc/51/20/01/376512001.db2.gz UUGIBISHQJHILT-UHFFFAOYSA-N 1 1 288.391 3.112 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](c3nccs3)C2)C1 ZINC000338947318 376594040 /nfs/dbraw/zinc/59/40/40/376594040.db2.gz DZFICXANRWSXNJ-AGIUHOORSA-N 1 1 261.394 3.015 20 30 CGEDMO N#CCCOCC[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000338915222 376572303 /nfs/dbraw/zinc/57/23/03/376572303.db2.gz PBBBXVDFEYGHMP-OAHLLOKOSA-N 1 1 278.783 3.407 20 30 CGEDMO CC[C@H]1CC[C@@H](C)[N@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000234053206 376610704 /nfs/dbraw/zinc/61/07/04/376610704.db2.gz CWTUJRLJZOMLCY-DOMZBBRYSA-N 1 1 258.365 3.330 20 30 CGEDMO COc1cc(C[N@@H+](C)CCc2cccs2)ccc1C#N ZINC000234922521 376625111 /nfs/dbraw/zinc/62/51/11/376625111.db2.gz QRCKWRAVJOWNLL-UHFFFAOYSA-N 1 1 286.400 3.303 20 30 CGEDMO C[C@H]1CCCC[N@H+]1CCCNc1nccc(C#N)c1Cl ZINC000235539335 376644071 /nfs/dbraw/zinc/64/40/71/376644071.db2.gz WEDZTWVAMQYUGA-LBPRGKRZSA-N 1 1 292.814 3.283 20 30 CGEDMO CC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccn(C)n1 ZINC000543602787 376658011 /nfs/dbraw/zinc/65/80/11/376658011.db2.gz LLVCMPIOZTXOBJ-WFASDCNBSA-N 1 1 268.364 3.094 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000544186642 376713801 /nfs/dbraw/zinc/71/38/01/376713801.db2.gz BAGOQYXDZABHNN-SJORKVTESA-N 1 1 259.393 3.111 20 30 CGEDMO C[C@@H]1C[C@H](Nc2cccc(C#N)n2)C[N@H+]1Cc1ccccc1 ZINC000339217309 376737633 /nfs/dbraw/zinc/73/76/33/376737633.db2.gz LBMBXGQREKICFQ-PBHICJAKSA-N 1 1 292.386 3.028 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000339436058 376755506 /nfs/dbraw/zinc/75/55/06/376755506.db2.gz CCGYLQQOIUEGCF-INIZCTEOSA-N 1 1 250.430 3.151 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C)C2 ZINC000339436058 376755511 /nfs/dbraw/zinc/75/55/11/376755511.db2.gz CCGYLQQOIUEGCF-INIZCTEOSA-N 1 1 250.430 3.151 20 30 CGEDMO N#CC1(CCC[N@H+]2CC[C@H](CC3CC3)C2)CCOCC1 ZINC000339678356 376803631 /nfs/dbraw/zinc/80/36/31/376803631.db2.gz LOZVTRMOGKDFGJ-MRXNPFEDSA-N 1 1 276.424 3.209 20 30 CGEDMO C=CCOCCC[N@H+]1CCc2cc(OC)c(Cl)cc2C1 ZINC000339736139 376829364 /nfs/dbraw/zinc/82/93/64/376829364.db2.gz QABIYVJPGSNHBK-UHFFFAOYSA-N 1 1 295.810 3.299 20 30 CGEDMO C=CCOCC[N@H+](C)C[C@@H](C)Cc1ccc(OC)cc1 ZINC000555418620 376856534 /nfs/dbraw/zinc/85/65/34/376856534.db2.gz VKEGVCVJWHJBHH-HNNXBMFYSA-N 1 1 277.408 3.008 20 30 CGEDMO CCC[N@@H+]1Cc2cccc(NC(=O)c3ccc(C#N)o3)c2C1 ZINC000339834211 376867642 /nfs/dbraw/zinc/86/76/42/376867642.db2.gz JLBYREFQNMMEAN-UHFFFAOYSA-N 1 1 295.342 3.129 20 30 CGEDMO CCC[N@H+]1Cc2cccc(NC(=O)c3ccc(C#N)o3)c2C1 ZINC000339834211 376867649 /nfs/dbraw/zinc/86/76/49/376867649.db2.gz JLBYREFQNMMEAN-UHFFFAOYSA-N 1 1 295.342 3.129 20 30 CGEDMO C=CCCC[C@@H](C)NC(=O)N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000245650574 376873949 /nfs/dbraw/zinc/87/39/49/376873949.db2.gz HHGBZKDHKIQENV-HZPDHXFCSA-N 1 1 295.471 3.105 20 30 CGEDMO C=C1CC[NH+](Cc2cc3ccccc3nc2OC)CC1 ZINC000556856772 376890364 /nfs/dbraw/zinc/89/03/64/376890364.db2.gz HUWNKTDTSUVACR-UHFFFAOYSA-N 1 1 268.360 3.395 20 30 CGEDMO CC(C)[N@@H+]1CCC[C@H](CN[C@H](C)c2ccc(C#N)cc2)C1 ZINC000245895333 376927397 /nfs/dbraw/zinc/92/73/97/376927397.db2.gz MYUFMWTXMDHLHQ-NVXWUHKLSA-N 1 1 285.435 3.329 20 30 CGEDMO CC(C)[N@H+]1CCC[C@H](CN[C@H](C)c2ccc(C#N)cc2)C1 ZINC000245895333 376927401 /nfs/dbraw/zinc/92/74/01/376927401.db2.gz MYUFMWTXMDHLHQ-NVXWUHKLSA-N 1 1 285.435 3.329 20 30 CGEDMO C[C@@H]1C[N@H+](CCCCC#N)C[C@@H](c2ccsc2)O1 ZINC000246402627 377023695 /nfs/dbraw/zinc/02/36/95/377023695.db2.gz IUBDGVPXZNGCSN-OCCSQVGLSA-N 1 1 264.394 3.204 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCCC#N)C[C@@H](c2ccsc2)O1 ZINC000246402627 377023699 /nfs/dbraw/zinc/02/36/99/377023699.db2.gz IUBDGVPXZNGCSN-OCCSQVGLSA-N 1 1 264.394 3.204 20 30 CGEDMO CC[C@@H]1C[N@H+]([C@H](C)c2ccc(C#N)cc2)C[C@H](C)O1 ZINC000246452311 377032872 /nfs/dbraw/zinc/03/28/72/377032872.db2.gz VRWHGGHZNMNZMF-WOSRLPQWSA-N 1 1 258.365 3.119 20 30 CGEDMO C=CCCCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000246764673 377086157 /nfs/dbraw/zinc/08/61/57/377086157.db2.gz IKMBGDDGHCDWMH-DLBZAZTESA-N 1 1 292.467 3.456 20 30 CGEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000246841357 377102762 /nfs/dbraw/zinc/10/27/62/377102762.db2.gz VEKDRDMDUCWTGH-QLFBSQMISA-N 1 1 299.418 3.253 20 30 CGEDMO C[C@@H]1C[N@@H+](CCCSCC#N)[C@H]2CCCC[C@@H]12 ZINC000248412095 377312780 /nfs/dbraw/zinc/31/27/80/377312780.db2.gz FBVUZHQNHKKBNC-RDBSUJKOSA-N 1 1 252.427 3.144 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000248608671 377365319 /nfs/dbraw/zinc/36/53/19/377365319.db2.gz DZTINVNCDRNQKO-CVEARBPZSA-N 1 1 280.456 3.073 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C1CCCCC1 ZINC000563217660 377423481 /nfs/dbraw/zinc/42/34/81/377423481.db2.gz RUPCXTQNFKWTJH-UHFFFAOYSA-N 1 1 273.336 3.231 20 30 CGEDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000248890397 377423515 /nfs/dbraw/zinc/42/35/15/377423515.db2.gz RZJYHPAHLLTBFC-XNRPHZJLSA-N 1 1 257.381 3.050 20 30 CGEDMO CCc1ccc(C[N@@H+](C)Cc2ccc(C#N)cn2)cc1 ZINC000563356635 377448142 /nfs/dbraw/zinc/44/81/42/377448142.db2.gz RAQVNAIWXAARSO-UHFFFAOYSA-N 1 1 265.360 3.148 20 30 CGEDMO N#Cc1cccc(C2([NH2+]Cc3ccccc3F)CC2)c1 ZINC000341214494 377448787 /nfs/dbraw/zinc/44/87/87/377448787.db2.gz QNXGAQXVFYAVRA-UHFFFAOYSA-N 1 1 266.319 3.476 20 30 CGEDMO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)N[C@H]1CCC[C@@H](C#N)C1 ZINC000248867796 377416566 /nfs/dbraw/zinc/41/65/66/377416566.db2.gz QHLOVRYTKBWRIU-NNXHMXCWSA-N 1 1 277.456 3.025 20 30 CGEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@H]1CCC[C@@H](C#N)C1 ZINC000248867796 377416567 /nfs/dbraw/zinc/41/65/67/377416567.db2.gz QHLOVRYTKBWRIU-NNXHMXCWSA-N 1 1 277.456 3.025 20 30 CGEDMO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000249156846 377472814 /nfs/dbraw/zinc/47/28/14/377472814.db2.gz XDRZAEUUUQXAQX-GUDVDZBRSA-N 1 1 297.446 3.180 20 30 CGEDMO Cc1cc([NH+]2CCCC2)ccc1NC[C@H](C#N)CCC#N ZINC000566119108 377493303 /nfs/dbraw/zinc/49/33/03/377493303.db2.gz QZAABBZYNLCDLF-HNNXBMFYSA-N 1 1 282.391 3.451 20 30 CGEDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNCCC#N ZINC000568618053 377522230 /nfs/dbraw/zinc/52/22/30/377522230.db2.gz HCSJENIYSYUKIR-HNNXBMFYSA-N 1 1 271.408 3.064 20 30 CGEDMO CCOc1ccc(C[NH2+]Cc2ccc(C#N)o2)cc1Cl ZINC000341353056 377524529 /nfs/dbraw/zinc/52/45/29/377524529.db2.gz KNQUMRJCALYAHW-UHFFFAOYSA-N 1 1 290.750 3.493 20 30 CGEDMO CC[C@@]1(CO)CCC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000249578910 377516332 /nfs/dbraw/zinc/51/63/32/377516332.db2.gz QGQYPCJSZJQJJF-RHSMWYFYSA-N 1 1 272.392 3.104 20 30 CGEDMO COC1CCC([N@@H+](C)Cc2cn3ccccc3c2C#N)CC1 ZINC000265178871 190163959 /nfs/dbraw/zinc/16/39/59/190163959.db2.gz DJMBFIYIXDYXJD-UHFFFAOYSA-N 1 1 297.402 3.200 20 30 CGEDMO C=CC[N@@H+](Cc1cccs1)C[C@@H]1CCCC[C@@H]1O ZINC000572291401 377547532 /nfs/dbraw/zinc/54/75/32/377547532.db2.gz LWMWXGSUYAUHBG-ZFWWWQNUSA-N 1 1 265.422 3.287 20 30 CGEDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1cccc(C#N)n1 ZINC000265591987 190192468 /nfs/dbraw/zinc/19/24/68/190192468.db2.gz YFWBOYYVRQGTIO-UHFFFAOYSA-N 1 1 294.402 3.406 20 30 CGEDMO C[C@H](CNc1cccc(F)c1C#N)[N@H+]1CCC[C@H](C)C1 ZINC000252157781 377615232 /nfs/dbraw/zinc/61/52/32/377615232.db2.gz NPHIRKILUGDKNF-QWHCGFSZSA-N 1 1 275.371 3.230 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CC[C@H]1CCCO1 ZINC000342592184 377679795 /nfs/dbraw/zinc/67/97/95/377679795.db2.gz NUKFUEHKFODVLW-CZUORRHYSA-N 1 1 258.365 3.120 20 30 CGEDMO CC1=C[C@H](C)C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000575114273 377748321 /nfs/dbraw/zinc/74/83/21/377748321.db2.gz VGLAIBLZTPUDIQ-LBPRGKRZSA-N 1 1 294.358 3.006 20 30 CGEDMO CC1=C[C@H](C)C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000575114273 377748324 /nfs/dbraw/zinc/74/83/24/377748324.db2.gz VGLAIBLZTPUDIQ-LBPRGKRZSA-N 1 1 294.358 3.006 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000342719438 377754146 /nfs/dbraw/zinc/75/41/46/377754146.db2.gz JVLBWDGVGWMRJY-CQSZACIVSA-N 1 1 296.773 3.092 20 30 CGEDMO C=CCC[N@H+](C)CC(=O)Nc1ccccc1C(C)C ZINC000342731850 377762053 /nfs/dbraw/zinc/76/20/53/377762053.db2.gz CCZBHYSRUHZTIZ-UHFFFAOYSA-N 1 1 260.381 3.256 20 30 CGEDMO C=CCC[N@H+](C)C[C@H](O)COc1cccc2ccccc21 ZINC000342738936 377766148 /nfs/dbraw/zinc/76/61/48/377766148.db2.gz NIDWMUALSKTNHQ-INIZCTEOSA-N 1 1 285.387 3.087 20 30 CGEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNCCC#N)C1 ZINC000577858884 378017517 /nfs/dbraw/zinc/01/75/17/378017517.db2.gz CGKHBNFQMCCCMP-IYBDPMFKSA-N 1 1 285.435 3.168 20 30 CGEDMO N#CCSCCC[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000268012562 378047950 /nfs/dbraw/zinc/04/79/50/378047950.db2.gz GXRNTUSPPGUTBJ-CQSZACIVSA-N 1 1 278.396 3.262 20 30 CGEDMO C=CCOc1cccc(C[NH2+][C@@H]2CCCc3c[nH]nc32)c1 ZINC000268874492 378138482 /nfs/dbraw/zinc/13/84/82/378138482.db2.gz WDJUPOMFGKERSE-MRXNPFEDSA-N 1 1 283.375 3.142 20 30 CGEDMO CCCCc1noc([C@H](C)[NH+]2CCC(CCC#N)CC2)n1 ZINC000578646113 378088482 /nfs/dbraw/zinc/08/84/82/378088482.db2.gz NSFBOWDNZAEIAF-ZDUSSCGKSA-N 1 1 290.411 3.489 20 30 CGEDMO Cc1csc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)n1 ZINC000346202351 217838540 /nfs/dbraw/zinc/83/85/40/217838540.db2.gz UHABNGBYFGYMHO-SNVBAGLBSA-N 1 1 275.352 3.313 20 30 CGEDMO CC[N@H+]1C[C@H](C)N(c2cc(C#N)c3ccccc3n2)C[C@H]1C ZINC000345155529 378206559 /nfs/dbraw/zinc/20/65/59/378206559.db2.gz XIKXQCXHYYTSOI-KGLIPLIRSA-N 1 1 294.402 3.025 20 30 CGEDMO Cn1c[nH+]c2cc(NCC(C)(C)CCC#N)ccc21 ZINC000269432346 378220548 /nfs/dbraw/zinc/22/05/48/378220548.db2.gz HHQSHDNSAGNVAP-UHFFFAOYSA-N 1 1 256.353 3.315 20 30 CGEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])CC1CC1 ZINC000579597871 378175039 /nfs/dbraw/zinc/17/50/39/378175039.db2.gz IMLDXQKRTHBYSW-UHFFFAOYSA-N 1 1 273.336 3.087 20 30 CGEDMO CC(C)CCC[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000583286317 378317811 /nfs/dbraw/zinc/31/78/11/378317811.db2.gz KRRISCHPLZUTJE-UHFFFAOYSA-N 1 1 274.408 3.443 20 30 CGEDMO C=CCOc1ccccc1C[N@H+](C)C1CC(OCC)C1 ZINC000583839437 378352697 /nfs/dbraw/zinc/35/26/97/378352697.db2.gz IAPMXYMNBHQQMQ-UHFFFAOYSA-N 1 1 275.392 3.251 20 30 CGEDMO C#CCC[N@@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000270471184 378356214 /nfs/dbraw/zinc/35/62/14/378356214.db2.gz BKAFJRUGCGQQLW-HNNXBMFYSA-N 1 1 281.359 3.287 20 30 CGEDMO C#CCC[N@H+]1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000270471184 378356217 /nfs/dbraw/zinc/35/62/17/378356217.db2.gz BKAFJRUGCGQQLW-HNNXBMFYSA-N 1 1 281.359 3.287 20 30 CGEDMO C[C@@H](CCC#N)[N@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000595505005 378402394 /nfs/dbraw/zinc/40/23/94/378402394.db2.gz ORTPIXYGCGFZMI-ZDUSSCGKSA-N 1 1 293.361 3.169 20 30 CGEDMO C[C@H](C#N)C[N@H+](C)CCCSCc1ccccc1 ZINC000270613867 378376121 /nfs/dbraw/zinc/37/61/21/378376121.db2.gz ZVRXBFOEWVKHED-CQSZACIVSA-N 1 1 262.422 3.401 20 30 CGEDMO C[C@H](C#N)C[N@@H+](C)CCCSCc1ccccc1 ZINC000270613867 378376126 /nfs/dbraw/zinc/37/61/26/378376126.db2.gz ZVRXBFOEWVKHED-CQSZACIVSA-N 1 1 262.422 3.401 20 30 CGEDMO C[C@H](CCN(C)C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000271068784 378447551 /nfs/dbraw/zinc/44/75/51/378447551.db2.gz KFPFISJQBGFKRR-IPJUCJBFSA-N 1 1 299.462 3.320 20 30 CGEDMO C#CCCC[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000270990976 378423980 /nfs/dbraw/zinc/42/39/80/378423980.db2.gz DTLANGPJPYGWSE-OAHLLOKOSA-N 1 1 271.360 3.008 20 30 CGEDMO C#CCCC[N@H+]1CCn2cccc2[C@H]1c1ccccc1 ZINC000271004126 378425652 /nfs/dbraw/zinc/42/56/52/378425652.db2.gz GSNCTIWWWRAERG-GOSISDBHSA-N 1 1 264.372 3.307 20 30 CGEDMO C=CCCC(C)(C)CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000637623842 378542445 /nfs/dbraw/zinc/54/24/45/378542445.db2.gz OWTPHUZKPYGUNU-HUUCEWRRSA-N 1 1 295.471 3.103 20 30 CGEDMO CCC1(CC)CCC[N@H+]([C@H](C)C(=O)N(C)CCC#N)CC1 ZINC000346479605 378590997 /nfs/dbraw/zinc/59/09/97/378590997.db2.gz WVKMUWKLNZMETQ-OAHLLOKOSA-N 1 1 293.455 3.039 20 30 CGEDMO C=C(CN[C@H]1CC[N@@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000346775514 378688188 /nfs/dbraw/zinc/68/81/88/378688188.db2.gz GZEKDULBGHLKET-RDJZCZTQSA-N 1 1 258.409 3.020 20 30 CGEDMO C=C(CN[C@H]1CC[N@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000346775514 378688192 /nfs/dbraw/zinc/68/81/92/378688192.db2.gz GZEKDULBGHLKET-RDJZCZTQSA-N 1 1 258.409 3.020 20 30 CGEDMO C=C(C[NH2+][C@H]1CCN(CC)C[C@@H]1C)c1ccccc1 ZINC000346775514 378688194 /nfs/dbraw/zinc/68/81/94/378688194.db2.gz GZEKDULBGHLKET-RDJZCZTQSA-N 1 1 258.409 3.020 20 30 CGEDMO C=C(CC)C[N@@H+](Cc1cccs1)[C@H]1C=C[C@@H](CO)C1 ZINC000347359161 378717821 /nfs/dbraw/zinc/71/78/21/378717821.db2.gz WFIKYGLTERSGPZ-CABCVRRESA-N 1 1 277.433 3.453 20 30 CGEDMO C=CCOCCC[N@H+]1[C@H](C)COC[C@@H]1c1ccccc1 ZINC000348028980 378758581 /nfs/dbraw/zinc/75/85/81/378758581.db2.gz HCLWREDDEDFULA-NVXWUHKLSA-N 1 1 275.392 3.041 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCCC2(CCCCC2)C1 ZINC000348138679 378810105 /nfs/dbraw/zinc/81/01/05/378810105.db2.gz JFRHZYWMMRPUFP-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCCC2(CCC2)C1 ZINC000348183276 378826910 /nfs/dbraw/zinc/82/69/10/378826910.db2.gz UPYFCUKWQOZGNW-UHFFFAOYSA-N 1 1 270.376 3.333 20 30 CGEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CC1CCC1 ZINC000348208533 378840670 /nfs/dbraw/zinc/84/06/70/378840670.db2.gz SWHHOCDOJZMHND-HNNXBMFYSA-N 1 1 299.418 3.054 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000274818478 378901689 /nfs/dbraw/zinc/90/16/89/378901689.db2.gz XPYCQJFXYKQLOU-KRWDZBQOSA-N 1 1 259.393 3.491 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1cc(OC)c(O)cc1Cl ZINC000638908939 378949161 /nfs/dbraw/zinc/94/91/61/378949161.db2.gz BJDLISCPPTYGHQ-UHFFFAOYSA-N 1 1 255.745 3.062 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cc(OC)c(O)cc1Cl ZINC000638908939 378949163 /nfs/dbraw/zinc/94/91/63/378949163.db2.gz BJDLISCPPTYGHQ-UHFFFAOYSA-N 1 1 255.745 3.062 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)[C@H]2CCC[C@H]2O)cc1Cl ZINC000348545313 378986436 /nfs/dbraw/zinc/98/64/36/378986436.db2.gz KNNWETIQYDCSEI-LSDHHAIUSA-N 1 1 295.810 3.250 20 30 CGEDMO C[N@@H+](CC#Cc1ccccc1)[C@H](CCO)c1ccccc1 ZINC000276801699 378999381 /nfs/dbraw/zinc/99/93/81/378999381.db2.gz MNUQNHFPWISVEB-LJQANCHMSA-N 1 1 279.383 3.094 20 30 CGEDMO C=CCC1(C(=O)NCCCNc2ccc(C)c[nH+]2)CCC1 ZINC000276952011 379029520 /nfs/dbraw/zinc/02/95/20/379029520.db2.gz VMUDIZZZUCOZIP-UHFFFAOYSA-N 1 1 287.407 3.055 20 30 CGEDMO CC(C)OCC[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000371785612 379177674 /nfs/dbraw/zinc/17/76/74/379177674.db2.gz OGLVIVJPASZZFW-IRXDYDNUSA-N 1 1 272.392 3.183 20 30 CGEDMO CC(C)OCC[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000371785612 379177675 /nfs/dbraw/zinc/17/76/75/379177675.db2.gz OGLVIVJPASZZFW-IRXDYDNUSA-N 1 1 272.392 3.183 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2cc(=O)c(OC)co2)CCCC1(C)C ZINC000277749039 379227392 /nfs/dbraw/zinc/22/73/92/379227392.db2.gz LIXLPUZUIISOIV-INIZCTEOSA-N 1 1 291.391 3.215 20 30 CGEDMO CC[C@H](NC[C@@H](C)C[NH+]1CCCC1)c1ccc(C#N)cc1 ZINC000278339072 379354845 /nfs/dbraw/zinc/35/48/45/379354845.db2.gz XFGPHKNCAQSXDB-QAPCUYQASA-N 1 1 285.435 3.331 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CCC1 ZINC000375437261 379495478 /nfs/dbraw/zinc/49/54/78/379495478.db2.gz JOAPVMDPHCDZHP-INIZCTEOSA-N 1 1 284.403 3.036 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CCC1 ZINC000375437261 379495489 /nfs/dbraw/zinc/49/54/89/379495489.db2.gz JOAPVMDPHCDZHP-INIZCTEOSA-N 1 1 284.403 3.036 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639793745 379588925 /nfs/dbraw/zinc/58/89/25/379588925.db2.gz PTPUNMJNVLOQRT-OAHLLOKOSA-N 1 1 267.376 3.385 20 30 CGEDMO CCC[C@@H](C)[N@@H+](C)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000267326859 190321221 /nfs/dbraw/zinc/32/12/21/190321221.db2.gz BAKIGMSUEKVZKW-SNVBAGLBSA-N 1 1 293.436 3.296 20 30 CGEDMO CC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CC(C)(C)O ZINC000267340518 190322390 /nfs/dbraw/zinc/32/23/90/190322390.db2.gz CFIIZGWIQOFURO-UHFFFAOYSA-N 1 1 299.336 3.150 20 30 CGEDMO C[N@@H+](CC(C)(C)C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000352404189 379799245 /nfs/dbraw/zinc/79/92/45/379799245.db2.gz DTLUKIAIEGXVSG-INIZCTEOSA-N 1 1 299.418 3.032 20 30 CGEDMO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC000280746861 379778854 /nfs/dbraw/zinc/77/88/54/379778854.db2.gz XLQCOGJLGGWTKF-NVXWUHKLSA-N 1 1 297.402 3.148 20 30 CGEDMO Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000281152998 379820147 /nfs/dbraw/zinc/82/01/47/379820147.db2.gz FQPKUXDNTSDJMA-KRWDZBQOSA-N 1 1 280.375 3.019 20 30 CGEDMO Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000281152998 379820154 /nfs/dbraw/zinc/82/01/54/379820154.db2.gz FQPKUXDNTSDJMA-KRWDZBQOSA-N 1 1 280.375 3.019 20 30 CGEDMO C=CCCCCn1cc(C[N@H+](C)C2CCCCC2)nn1 ZINC000640939254 379878661 /nfs/dbraw/zinc/87/86/61/379878661.db2.gz NDHHFPZEPYKBDX-UHFFFAOYSA-N 1 1 276.428 3.399 20 30 CGEDMO C=CCCC[C@H](C)n1cc(Cn2cc[nH+]c2CC)nn1 ZINC000641235655 379970657 /nfs/dbraw/zinc/97/06/57/379970657.db2.gz VXRUAQHGLREXQV-ZDUSSCGKSA-N 1 1 273.384 3.003 20 30 CGEDMO CC[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccccc1 ZINC000352831885 379989945 /nfs/dbraw/zinc/98/99/45/379989945.db2.gz DEAASXLURFUDSD-CYBMUJFWSA-N 1 1 257.362 3.256 20 30 CGEDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000352886135 380019662 /nfs/dbraw/zinc/01/96/62/380019662.db2.gz FSINZYDBWVPDJL-QAPCUYQASA-N 1 1 286.419 3.268 20 30 CGEDMO C=C(C)C[N@H+](CC[C@H]1CCCO1)Cc1cnn(C(C)C)c1 ZINC000352904956 380029339 /nfs/dbraw/zinc/02/93/39/380029339.db2.gz WFWJZZFMMJFLSV-QGZVFWFLSA-N 1 1 291.439 3.411 20 30 CGEDMO CC(C)COCC[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000409446883 380037645 /nfs/dbraw/zinc/03/76/45/380037645.db2.gz XGUSTUSYIDQARS-ROUUACIJSA-N 1 1 286.419 3.431 20 30 CGEDMO CC(C)COCC[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000409446883 380037648 /nfs/dbraw/zinc/03/76/48/380037648.db2.gz XGUSTUSYIDQARS-ROUUACIJSA-N 1 1 286.419 3.431 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)C[C@H]1CCO[C@@H](C)C1 ZINC000352928034 380043575 /nfs/dbraw/zinc/04/35/75/380043575.db2.gz BNYYQRMUOYJMMA-GJZGRUSLSA-N 1 1 263.381 3.125 20 30 CGEDMO C[N@@H+](CCC1(C#N)CCCCC1)[C@@H](CO)C(C)(C)C ZINC000411400364 380143873 /nfs/dbraw/zinc/14/38/73/380143873.db2.gz NMOMVAMRIIXARW-AWEZNQCLSA-N 1 1 266.429 3.189 20 30 CGEDMO CC(C)(O)[C@@H]1CCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411401505 380145023 /nfs/dbraw/zinc/14/50/23/380145023.db2.gz QTPXMBUJMYFDFL-AWEZNQCLSA-N 1 1 264.413 3.086 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)[C@H](C)C(=O)NC(CC)CC ZINC000411482046 380146467 /nfs/dbraw/zinc/14/64/67/380146467.db2.gz BTTUPDMMDMMZHZ-CQSZACIVSA-N 1 1 292.423 3.003 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)[C@H](C)C(=O)NC(CC)CC ZINC000411482046 380146472 /nfs/dbraw/zinc/14/64/72/380146472.db2.gz BTTUPDMMDMMZHZ-CQSZACIVSA-N 1 1 292.423 3.003 20 30 CGEDMO N#CC1(CC[N@H+]2CCOC3(CCC3)C2)CCCCC1 ZINC000411429549 380146614 /nfs/dbraw/zinc/14/66/14/380146614.db2.gz RBOOYYVWLJMNDX-UHFFFAOYSA-N 1 1 262.397 3.105 20 30 CGEDMO C[C@H](CCC#N)[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000411435572 380146673 /nfs/dbraw/zinc/14/66/73/380146673.db2.gz ZUZZZKWGFOQSPQ-CQSZACIVSA-N 1 1 298.386 3.239 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)[C@@H](C)C(=O)NC(CC)CC ZINC000411482045 380147245 /nfs/dbraw/zinc/14/72/45/380147245.db2.gz BTTUPDMMDMMZHZ-AWEZNQCLSA-N 1 1 292.423 3.003 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)[C@@H](C)C(=O)NC(CC)CC ZINC000411482045 380147257 /nfs/dbraw/zinc/14/72/57/380147257.db2.gz BTTUPDMMDMMZHZ-AWEZNQCLSA-N 1 1 292.423 3.003 20 30 CGEDMO CC(C)[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)CCO1 ZINC000411487196 380148580 /nfs/dbraw/zinc/14/85/80/380148580.db2.gz MQOBDUOUJCPIQE-OAHLLOKOSA-N 1 1 264.413 3.207 20 30 CGEDMO C=CC[N@@H+](CCc1ccco1)[C@H](C)C(=O)Nc1ccccc1 ZINC000411483939 380149020 /nfs/dbraw/zinc/14/90/20/380149020.db2.gz FSYHRUBZZUNXIR-OAHLLOKOSA-N 1 1 298.386 3.337 20 30 CGEDMO C=CC[N@H+](CCc1ccco1)[C@H](C)C(=O)Nc1ccccc1 ZINC000411483939 380149027 /nfs/dbraw/zinc/14/90/27/380149027.db2.gz FSYHRUBZZUNXIR-OAHLLOKOSA-N 1 1 298.386 3.337 20 30 CGEDMO CC(C)Cn1ccnc1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353242823 380185643 /nfs/dbraw/zinc/18/56/43/380185643.db2.gz OQOTXJOSMCKPER-KRWDZBQOSA-N 1 1 294.402 3.188 20 30 CGEDMO C=C[C@H](CO)[NH2+][C@H](C)c1csc(-c2ccccc2)n1 ZINC000414170232 380197457 /nfs/dbraw/zinc/19/74/57/380197457.db2.gz WBYYYJLAECVYCY-DGCLKSJQSA-N 1 1 274.389 3.008 20 30 CGEDMO Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000353927875 380239324 /nfs/dbraw/zinc/23/93/24/380239324.db2.gz WRBYJXHUFVVXOF-SJLPKXTDSA-N 1 1 294.402 3.298 20 30 CGEDMO Cc1n[nH]c(C)c1C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000353927875 380239327 /nfs/dbraw/zinc/23/93/27/380239327.db2.gz WRBYJXHUFVVXOF-SJLPKXTDSA-N 1 1 294.402 3.298 20 30 CGEDMO C=CCOCC[N@@H+]1CCCC[C@@H]1c1ccccc1OC ZINC000645085880 380575505 /nfs/dbraw/zinc/57/55/05/380575505.db2.gz QHOAOOKAEABANM-MRXNPFEDSA-N 1 1 275.392 3.425 20 30 CGEDMO Cc1cc(C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)n(C)n1 ZINC000417733259 380672549 /nfs/dbraw/zinc/67/25/49/380672549.db2.gz QJCMTXRBHROFAN-UHFFFAOYSA-N 1 1 296.418 3.258 20 30 CGEDMO C=CCN(CC=C)C(=O)C[N@H+]([C@@H](C)[C@H](C)CC)C1CC1 ZINC000355799350 380781652 /nfs/dbraw/zinc/78/16/52/380781652.db2.gz PPKNWBSFMMVOOI-CABCVRRESA-N 1 1 278.440 3.086 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000420927105 380863164 /nfs/dbraw/zinc/86/31/64/380863164.db2.gz NXJTYWMJHKSPEW-QWHCGFSZSA-N 1 1 253.386 3.005 20 30 CGEDMO CC#CCC[N@@H+]1Cc2ccc(OC)cc2OC(C)(C)C1 ZINC000421046063 380870713 /nfs/dbraw/zinc/87/07/13/380870713.db2.gz VXBZVWLFNVHESS-UHFFFAOYSA-N 1 1 273.376 3.082 20 30 CGEDMO C[C@@H]1CCC[C@@H](C)N1CC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421326390 380877904 /nfs/dbraw/zinc/87/79/04/380877904.db2.gz NWGUMKWXHZWDKP-ZIAGYGMSSA-N 1 1 289.398 3.050 20 30 CGEDMO CC(C)(CNCc1ccc(C#N)c(F)c1)[NH+]1CCCCC1 ZINC000421337766 380879808 /nfs/dbraw/zinc/87/98/08/380879808.db2.gz ZYJJJFSSXPJAGV-UHFFFAOYSA-N 1 1 289.398 3.051 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000279274121 194363220 /nfs/dbraw/zinc/36/32/20/194363220.db2.gz JLRPNSRPHBQYIF-IGCXYCKISA-N 1 1 270.376 3.119 20 30 CGEDMO CC[C@@H]1C[C@H](C[N@@H+](C)Cc2cc(C#N)ccc2F)CCO1 ZINC000356912513 380934160 /nfs/dbraw/zinc/93/41/60/380934160.db2.gz JPFXQNJRSLHGMH-GDBMZVCRSA-N 1 1 290.382 3.334 20 30 CGEDMO C=CC[N@H+](CCOc1ccc(SC)cc1)C1CC1 ZINC000357529210 381195955 /nfs/dbraw/zinc/19/59/55/381195955.db2.gz MOBQUXLMUYTVBW-UHFFFAOYSA-N 1 1 263.406 3.438 20 30 CGEDMO C=C(C)CN1CCC([NH2+]Cc2ccc(Cl)o2)CC1 ZINC000358145844 381293819 /nfs/dbraw/zinc/29/38/19/381293819.db2.gz CEBXUBBKTJPNOR-UHFFFAOYSA-N 1 1 268.788 3.063 20 30 CGEDMO C[C@@H](C#N)C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000357829901 381285260 /nfs/dbraw/zinc/28/52/60/381285260.db2.gz OTBBGGIJFYAWOY-KBPBESRZSA-N 1 1 285.391 3.159 20 30 CGEDMO C=C(CC)C[N@@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000358496018 381312343 /nfs/dbraw/zinc/31/23/43/381312343.db2.gz IYRXRFXPFXVANE-FZKQIMNGSA-N 1 1 265.422 3.383 20 30 CGEDMO C=C(CC)C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000358514285 381313812 /nfs/dbraw/zinc/31/38/12/381313812.db2.gz VURJZKWBZNBWTF-MRXNPFEDSA-N 1 1 286.419 3.095 20 30 CGEDMO C=CCCC[C@H](C)[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000361525550 381787154 /nfs/dbraw/zinc/78/71/54/381787154.db2.gz NTLYZVASSZXWAQ-GOEBONIOSA-N 1 1 267.413 3.001 20 30 CGEDMO C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H]1CCC(C)(C)C1 ZINC000361471832 381762216 /nfs/dbraw/zinc/76/22/16/381762216.db2.gz VDMTXHAIYCGJHX-INIZCTEOSA-N 1 1 299.418 3.397 20 30 CGEDMO CC[N@H+](CC(=O)N(CCC#N)c1ccccc1)CC1CCC1 ZINC000361481990 381765721 /nfs/dbraw/zinc/76/57/21/381765721.db2.gz SWCLDKIIEBVXMM-UHFFFAOYSA-N 1 1 299.418 3.055 20 30 CGEDMO COC1(C[N@@H+](C)Cc2cccc(C#N)c2)CCCCC1 ZINC000361500137 381777477 /nfs/dbraw/zinc/77/74/77/381777477.db2.gz AKUDQBCMUNHQBT-UHFFFAOYSA-N 1 1 272.392 3.339 20 30 CGEDMO COC1(C[N@@H+](CCC#N)CCC(C)C)CCCC1 ZINC000361567957 381809445 /nfs/dbraw/zinc/80/94/45/381809445.db2.gz WGPSRHVXMNTBPC-UHFFFAOYSA-N 1 1 252.402 3.207 20 30 CGEDMO CC[N@H+](Cc1ccc(Cl)cc1C#N)C[C@@H](C)OC ZINC000361573693 381813049 /nfs/dbraw/zinc/81/30/49/381813049.db2.gz NHJRKEBOJLFLBB-LLVKDONJSA-N 1 1 266.772 3.068 20 30 CGEDMO CC[N@H+](Cc1ccc(C#N)cc1OC(F)F)CC1CC1 ZINC000362244292 381917102 /nfs/dbraw/zinc/91/71/02/381917102.db2.gz AJTANRIOQPMKCH-UHFFFAOYSA-N 1 1 280.318 3.392 20 30 CGEDMO COc1cccc(C2=CC[N@H+](Cc3ccc(C#N)o3)CC2)c1 ZINC000362390161 381971089 /nfs/dbraw/zinc/97/10/89/381971089.db2.gz SCQFKMSUEJCYPI-UHFFFAOYSA-N 1 1 294.354 3.449 20 30 CGEDMO COc1cccc(C2=CC[N@@H+](Cc3ccc(C#N)o3)CC2)c1 ZINC000362390161 381971093 /nfs/dbraw/zinc/97/10/93/381971093.db2.gz SCQFKMSUEJCYPI-UHFFFAOYSA-N 1 1 294.354 3.449 20 30 CGEDMO CSC[C@H]1CCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000362294889 381931903 /nfs/dbraw/zinc/93/19/03/381931903.db2.gz JIASGSOUEFVWIO-GFCCVEGCSA-N 1 1 264.369 3.025 20 30 CGEDMO CSC[C@H]1CCC[N@H+]1Cc1cccc(F)c1C#N ZINC000362294889 381931915 /nfs/dbraw/zinc/93/19/15/381931915.db2.gz JIASGSOUEFVWIO-GFCCVEGCSA-N 1 1 264.369 3.025 20 30 CGEDMO C[C@H]1CC[C@H](C)[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000362439833 381991582 /nfs/dbraw/zinc/99/15/82/381991582.db2.gz PMPMWFYZXMAWCT-KBPBESRZSA-N 1 1 267.376 3.431 20 30 CGEDMO Cc1cc(C[N@@H+]2CCn3cccc3[C@H]2C)ccc1C#N ZINC000362961135 382166096 /nfs/dbraw/zinc/16/60/96/382166096.db2.gz USATWRAIHYIZGR-CQSZACIVSA-N 1 1 265.360 3.245 20 30 CGEDMO Cc1cc(C[N@H+]2CCn3cccc3[C@H]2C)ccc1C#N ZINC000362961135 382166099 /nfs/dbraw/zinc/16/60/99/382166099.db2.gz USATWRAIHYIZGR-CQSZACIVSA-N 1 1 265.360 3.245 20 30 CGEDMO C=CCCCC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000366777928 382317948 /nfs/dbraw/zinc/31/79/48/382317948.db2.gz AZPTZTWRVJQUHP-DOTOQJQBSA-N 1 1 290.382 3.043 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@]2(C1)c1ccccc1NC2=O ZINC000369699041 382393025 /nfs/dbraw/zinc/39/30/25/382393025.db2.gz ZWAJCRRYKUEGMO-SFHVURJKSA-N 1 1 284.403 3.329 20 30 CGEDMO C#CCn1ccc(C[N@H+](CC)[C@@H](CC)c2ccccc2)n1 ZINC000279701990 194533412 /nfs/dbraw/zinc/53/34/12/194533412.db2.gz JDHHBADMBBQJFF-SFHVURJKSA-N 1 1 281.403 3.490 20 30 CGEDMO CC1=CCC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000280901967 195021967 /nfs/dbraw/zinc/02/19/67/195021967.db2.gz RDSAUXPLSUSPDM-UHFFFAOYSA-N 1 1 292.386 3.111 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000111261565 262264748 /nfs/dbraw/zinc/26/47/48/262264748.db2.gz SCIAHSUCZPJMJO-UHFFFAOYSA-N 1 1 259.393 3.491 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000184086993 262269085 /nfs/dbraw/zinc/26/90/85/262269085.db2.gz FQYMEONAGRPYSS-LLVKDONJSA-N 1 1 272.270 3.367 20 30 CGEDMO C[C@@H]([NH2+][C@@H](C)CN1CCCCC1)c1ccc(C#N)cc1F ZINC000358570636 533497754 /nfs/dbraw/zinc/49/77/54/533497754.db2.gz NLFAAKKWABSNAY-UONOGXRCSA-N 1 1 289.398 3.222 20 30 CGEDMO C=CCC[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000189960128 130045526 /nfs/dbraw/zinc/04/55/26/130045526.db2.gz IJXOFUGBPIQVDD-HZPDHXFCSA-N 1 1 272.436 3.309 20 30 CGEDMO C=CCCCCC[N@@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC000191377292 130229168 /nfs/dbraw/zinc/22/91/68/130229168.db2.gz UVNWMFDHTJSDTP-UHFFFAOYSA-N 1 1 264.417 3.211 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC000191377292 130229170 /nfs/dbraw/zinc/22/91/70/130229170.db2.gz UVNWMFDHTJSDTP-UHFFFAOYSA-N 1 1 264.417 3.211 20 30 CGEDMO CC[N@@H+](Cc1cc(C#N)n(C)c1)[C@@H](C)Cc1ccsc1 ZINC000191535905 130250891 /nfs/dbraw/zinc/25/08/91/130250891.db2.gz YMILXPLQHCMUDH-ZDUSSCGKSA-N 1 1 287.432 3.411 20 30 CGEDMO CC(C)C[C@@H](CN[C@H](C)c1ccc(C#N)cc1)[NH+](C)C ZINC000020201330 391939578 /nfs/dbraw/zinc/93/95/78/391939578.db2.gz MHTLNPSVAALXPP-PBHICJAKSA-N 1 1 273.424 3.185 20 30 CGEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1cc(Cl)ccc1OC ZINC000048617403 392005251 /nfs/dbraw/zinc/00/52/51/392005251.db2.gz NYLRVUXMMIJPRV-UHFFFAOYSA-N 1 1 296.798 3.185 20 30 CGEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1cc(Cl)ccc1OC ZINC000048617403 392005254 /nfs/dbraw/zinc/00/52/54/392005254.db2.gz NYLRVUXMMIJPRV-UHFFFAOYSA-N 1 1 296.798 3.185 20 30 CGEDMO Cc1cccc(C[N@@H+](C)C[C@@H](O)c2ccc(C#N)cc2)c1 ZINC000048870917 392022778 /nfs/dbraw/zinc/02/27/78/392022778.db2.gz QNAPJBTWHDKCCC-GOSISDBHSA-N 1 1 280.371 3.032 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)cc1 ZINC000093661112 392238827 /nfs/dbraw/zinc/23/88/27/392238827.db2.gz FIYXGQSZHIYMLH-CALCHBBNSA-N 1 1 283.419 3.124 20 30 CGEDMO CC[C@H]1CCCCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000093530167 392239218 /nfs/dbraw/zinc/23/92/18/392239218.db2.gz ALSWPMROZFDCRM-HNNXBMFYSA-N 1 1 282.391 3.361 20 30 CGEDMO COCC(C)(C)C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000426421878 542649482 /nfs/dbraw/zinc/64/94/82/542649482.db2.gz UCRHCVUZZNPQJY-SJORKVTESA-N 1 1 286.419 3.431 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)c(F)c1)C[C@H]1CC=CCC1 ZINC000361770574 392320074 /nfs/dbraw/zinc/32/00/74/392320074.db2.gz VVQAJIYACIAWPI-ZDUSSCGKSA-N 1 1 258.340 3.485 20 30 CGEDMO COCC[N@H+](Cc1ccccc1C#N)C[C@H]1CC=CCC1 ZINC000361675175 392293030 /nfs/dbraw/zinc/29/30/30/392293030.db2.gz KTHVGXSYGYHAHZ-INIZCTEOSA-N 1 1 284.403 3.363 20 30 CGEDMO C[N@@H+](Cc1cccs1)Cc1ccc(C#N)c(F)c1 ZINC000361689483 392296530 /nfs/dbraw/zinc/29/65/30/392296530.db2.gz MAQGZDXFVOTLIE-UHFFFAOYSA-N 1 1 260.337 3.391 20 30 CGEDMO CO[C@@H](C)C[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000285831534 392337504 /nfs/dbraw/zinc/33/75/04/392337504.db2.gz WABJUKJTFAPWSF-LBPRGKRZSA-N 1 1 285.309 3.024 20 30 CGEDMO C=C(C)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000285923289 392350995 /nfs/dbraw/zinc/35/09/95/392350995.db2.gz LJBNMYGVRRVEIN-IXDOHACOSA-N 1 1 257.377 3.067 20 30 CGEDMO C=CCN1CCC([NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000237658355 131051741 /nfs/dbraw/zinc/05/17/41/131051741.db2.gz PLEGYQBQXGCIIB-XJKSGUPXSA-N 1 1 274.408 3.143 20 30 CGEDMO Cc1ccc(C#N)c(NC[C@@H]2CCC[N@H+](CC(C)C)C2)n1 ZINC000286047512 392369648 /nfs/dbraw/zinc/36/96/48/392369648.db2.gz APMAOZOAPUQQLO-HNNXBMFYSA-N 1 1 286.423 3.042 20 30 CGEDMO C#CC(C)(C)[N@H+](C)Cc1cccc(SC(=O)N(C)C)c1 ZINC000286059447 392371237 /nfs/dbraw/zinc/37/12/37/392371237.db2.gz JATWCXVXXHIXIW-UHFFFAOYSA-N 1 1 290.432 3.304 20 30 CGEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H]1C1CCC1 ZINC000263975529 131372589 /nfs/dbraw/zinc/37/25/89/131372589.db2.gz CYIOUTWLCLELAN-KRWDZBQOSA-N 1 1 297.402 3.151 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](CC=C)Cc1cccs1 ZINC000121317189 392412135 /nfs/dbraw/zinc/41/21/35/392412135.db2.gz CFEGUOKXQOAADL-CYBMUJFWSA-N 1 1 251.395 3.063 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000124897782 392437215 /nfs/dbraw/zinc/43/72/15/392437215.db2.gz JOFZEFLESKKEJD-XHSDSOJGSA-N 1 1 278.440 3.332 20 30 CGEDMO C=CCC[C@@H](CCC)[NH2+][C@H](C)c1noc(COCC)n1 ZINC000290258692 392443734 /nfs/dbraw/zinc/44/37/34/392443734.db2.gz UZGCXZMVGVLXGK-CHWSQXEVSA-N 1 1 281.400 3.392 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1ccc(OC(C)C)c(OC)c1 ZINC000134792520 392468091 /nfs/dbraw/zinc/46/80/91/392468091.db2.gz VTOLRUXRPRAJKR-UHFFFAOYSA-N 1 1 269.772 3.325 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CCS[C@@H](C(C)C)C1 ZINC000121090881 392408146 /nfs/dbraw/zinc/40/81/46/392408146.db2.gz KQTBPFPXNKWYBI-MRXNPFEDSA-N 1 1 290.432 3.140 20 30 CGEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)N1CCCC[C@H]1CC ZINC000121146977 392408474 /nfs/dbraw/zinc/40/84/74/392408474.db2.gz HJJFCGLVQDRZNF-HUUCEWRRSA-N 1 1 266.429 3.064 20 30 CGEDMO C=C(Br)C[N@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC000151173127 392483832 /nfs/dbraw/zinc/48/38/32/392483832.db2.gz XCSCGDDRDXGMRQ-GFCCVEGCSA-N 1 1 296.208 3.393 20 30 CGEDMO C=C(Br)C[N@@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC000151173127 392483838 /nfs/dbraw/zinc/48/38/38/392483838.db2.gz XCSCGDDRDXGMRQ-GFCCVEGCSA-N 1 1 296.208 3.393 20 30 CGEDMO C=CC[C@@H](CO)Nc1cc[nH+]c2ccc(Cl)cc12 ZINC000302113462 392610383 /nfs/dbraw/zinc/61/03/83/392610383.db2.gz BKMFLOGGCHASSE-NSHDSACASA-N 1 1 262.740 3.237 20 30 CGEDMO COC(=O)[C@H]1C[C@@H](C2CCCCC2)C[N@H+]1CCCCC#N ZINC000374143157 392669630 /nfs/dbraw/zinc/66/96/30/392669630.db2.gz RMGSGJSFCLFCMK-HZPDHXFCSA-N 1 1 292.423 3.124 20 30 CGEDMO CCc1ccc(C[N@@H+](C)Cc2ccc(C#N)o2)cc1 ZINC000505595800 392675508 /nfs/dbraw/zinc/67/55/08/392675508.db2.gz GCLRBCPTRAPVQY-UHFFFAOYSA-N 1 1 254.333 3.346 20 30 CGEDMO Clc1cccc(C#CC[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000374412310 392678265 /nfs/dbraw/zinc/67/82/65/392678265.db2.gz RIKRKLZEYIKWBD-JKSUJKDBSA-N 1 1 289.806 3.050 20 30 CGEDMO CCCc1nnc(NC(=O)CC[C@@H]2CCCC[N@H+]2C)s1 ZINC000329415493 392680300 /nfs/dbraw/zinc/68/03/00/392680300.db2.gz CVTRDVHXWSGCJL-NSHDSACASA-N 1 1 296.440 3.343 20 30 CGEDMO C[N@H+](CCCC(C)(C)C#N)Cc1nccn1C(F)F ZINC000174877813 392647450 /nfs/dbraw/zinc/64/74/50/392647450.db2.gz JOERTSZPDVPUHI-UHFFFAOYSA-N 1 1 270.327 3.040 20 30 CGEDMO C[N@@H+](CCCC(C)(C)C#N)Cc1nccn1C(F)F ZINC000174877813 392647453 /nfs/dbraw/zinc/64/74/53/392647453.db2.gz JOERTSZPDVPUHI-UHFFFAOYSA-N 1 1 270.327 3.040 20 30 CGEDMO CC[N@@H+](CC(=O)N(CCC#N)c1ccc(C)c(C)c1)C1CC1 ZINC000175079390 392648963 /nfs/dbraw/zinc/64/89/63/392648963.db2.gz FOLUMXBCKKIUDG-UHFFFAOYSA-N 1 1 299.418 3.034 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)C(C)C ZINC000181291772 392726041 /nfs/dbraw/zinc/72/60/41/392726041.db2.gz VJFFWJKXDDIMBK-QGZVFWFLSA-N 1 1 288.435 3.050 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000181304209 392728914 /nfs/dbraw/zinc/72/89/14/392728914.db2.gz VFOLBBRTISVYOV-UHFFFAOYSA-N 1 1 278.352 3.390 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000181304209 392728922 /nfs/dbraw/zinc/72/89/22/392728922.db2.gz VFOLBBRTISVYOV-UHFFFAOYSA-N 1 1 278.352 3.390 20 30 CGEDMO C=C(C)C[N@H+](C)CC(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC000181317949 392728957 /nfs/dbraw/zinc/72/89/57/392728957.db2.gz IUXILATUHSELHO-KRWDZBQOSA-N 1 1 292.398 3.147 20 30 CGEDMO C=CC[N@@H+](CCOC)Cc1ccc(Br)s1 ZINC000183843836 392759697 /nfs/dbraw/zinc/75/96/97/392759697.db2.gz BIEIRCMNSBCXRB-UHFFFAOYSA-N 1 1 290.226 3.145 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1ccc(Br)s1 ZINC000183843836 392759704 /nfs/dbraw/zinc/75/97/04/392759704.db2.gz BIEIRCMNSBCXRB-UHFFFAOYSA-N 1 1 290.226 3.145 20 30 CGEDMO Cc1cnc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)s1 ZINC000334355363 392722101 /nfs/dbraw/zinc/72/21/01/392722101.db2.gz KTIFHMGOJLBQBS-OAHLLOKOSA-N 1 1 283.400 3.490 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000186120665 392778464 /nfs/dbraw/zinc/77/84/64/392778464.db2.gz HTARFPVRFNWYLY-BBRMVZONSA-N 1 1 280.375 3.222 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000186120665 392778472 /nfs/dbraw/zinc/77/84/72/392778472.db2.gz HTARFPVRFNWYLY-BBRMVZONSA-N 1 1 280.375 3.222 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000186120665 392778478 /nfs/dbraw/zinc/77/84/78/392778478.db2.gz HTARFPVRFNWYLY-BBRMVZONSA-N 1 1 280.375 3.222 20 30 CGEDMO Cc1csc([C@@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)n1 ZINC000192181624 392840322 /nfs/dbraw/zinc/84/03/22/392840322.db2.gz STDDMEDLBFNZBY-SNVBAGLBSA-N 1 1 275.352 3.313 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000335562653 392799005 /nfs/dbraw/zinc/79/90/05/392799005.db2.gz JQMDHMZNJLDGPE-CABCVRRESA-N 1 1 278.440 3.062 20 30 CGEDMO C[C@@H]1CC[C@H](C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)O1 ZINC000190460416 392815634 /nfs/dbraw/zinc/81/56/34/392815634.db2.gz BHLKVLWRASRMPA-CXAGYDPISA-N 1 1 270.376 3.090 20 30 CGEDMO C[N@@H+](CC#Cc1ccccc1)Cc1ccc(C#N)cc1 ZINC000191889703 392835215 /nfs/dbraw/zinc/83/52/15/392835215.db2.gz YFWNRESTBFQFSI-UHFFFAOYSA-N 1 1 260.340 3.042 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000338175802 392899625 /nfs/dbraw/zinc/89/96/25/392899625.db2.gz CJVVIHTZVZIRFB-QKPAOTATSA-N 1 1 251.414 3.214 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000338175798 392900341 /nfs/dbraw/zinc/90/03/41/392900341.db2.gz CJVVIHTZVZIRFB-JONQDZQNSA-N 1 1 251.414 3.214 20 30 CGEDMO CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC1(C#N)CC1 ZINC000338325020 392908223 /nfs/dbraw/zinc/90/82/23/392908223.db2.gz CWBUZQYKYSHRJG-KRWDZBQOSA-N 1 1 297.446 3.180 20 30 CGEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000336387061 392852899 /nfs/dbraw/zinc/85/28/99/392852899.db2.gz JYZIFPSZIRKEIS-QGZVFWFLSA-N 1 1 288.366 3.088 20 30 CGEDMO C=CCOCC[N@H+](CC)Cc1ccccc1Cl ZINC000338905712 392933785 /nfs/dbraw/zinc/93/37/85/392933785.db2.gz RXXMWKAQAYRIBT-UHFFFAOYSA-N 1 1 253.773 3.365 20 30 CGEDMO C[C@@H]1C[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC(C)(C)C1 ZINC000459404673 392943956 /nfs/dbraw/zinc/94/39/56/392943956.db2.gz HSYNGBJIVZEDQP-LBPRGKRZSA-N 1 1 287.363 3.334 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC(C)(C)C1 ZINC000459404673 392943959 /nfs/dbraw/zinc/94/39/59/392943959.db2.gz HSYNGBJIVZEDQP-LBPRGKRZSA-N 1 1 287.363 3.334 20 30 CGEDMO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)CCOCCC#N ZINC000339055757 392944026 /nfs/dbraw/zinc/94/40/26/392944026.db2.gz HMJBCXVZIBXIDL-CYBMUJFWSA-N 1 1 295.452 3.498 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000513241721 542730787 /nfs/dbraw/zinc/73/07/87/542730787.db2.gz KZSWESLQPGXSJH-HYVNUMGLSA-N 1 1 259.393 3.397 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1C[C@H](C)C[C@H]1c1ccccc1 ZINC000513241722 542731066 /nfs/dbraw/zinc/73/10/66/542731066.db2.gz KZSWESLQPGXSJH-PVAVHDDUSA-N 1 1 259.393 3.397 20 30 CGEDMO C=CCOCC[N@H+](Cc1ccnc(OC(C)C)c1)C1CC1 ZINC000339051801 392943472 /nfs/dbraw/zinc/94/34/72/392943472.db2.gz VAUGSAFGEIRSRC-UHFFFAOYSA-N 1 1 290.407 3.036 20 30 CGEDMO Cc1ccc2ncc(C[NH+]3CCC(F)(C#N)CC3)cc2c1 ZINC000411715982 392985767 /nfs/dbraw/zinc/98/57/67/392985767.db2.gz CZYPFIDRLJRMCW-UHFFFAOYSA-N 1 1 283.350 3.371 20 30 CGEDMO C[C@H](CCC#N)[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000411720151 392986251 /nfs/dbraw/zinc/98/62/51/392986251.db2.gz GHDQLRBXLHLKRH-CQSZACIVSA-N 1 1 275.371 3.030 20 30 CGEDMO CCC[N@H+](CCN1CCCCCC1)[C@H](C)CCC#N ZINC000411736133 392987093 /nfs/dbraw/zinc/98/70/93/392987093.db2.gz LLZLGYMNHWCLSG-MRXNPFEDSA-N 1 1 265.445 3.267 20 30 CGEDMO CCC[N@@H+](CCN1CCCCCC1)[C@H](C)CCC#N ZINC000411736133 392987095 /nfs/dbraw/zinc/98/70/95/392987095.db2.gz LLZLGYMNHWCLSG-MRXNPFEDSA-N 1 1 265.445 3.267 20 30 CGEDMO C=CCOCCC[N@H+](C)Cc1ccc(OC)c(Cl)c1 ZINC000412047052 392994621 /nfs/dbraw/zinc/99/46/21/392994621.db2.gz UGMXGDFJZXQFSO-UHFFFAOYSA-N 1 1 283.799 3.373 20 30 CGEDMO CC[C@@H](C)[N@@H+](C)CCNc1c(C#N)cnc2ccccc21 ZINC000218086452 392996505 /nfs/dbraw/zinc/99/65/05/392996505.db2.gz PNXWJVMUZAMTPH-CYBMUJFWSA-N 1 1 282.391 3.249 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c1F ZINC000219523450 393001745 /nfs/dbraw/zinc/00/17/45/393001745.db2.gz LZQBHISUYIIFNC-WFASDCNBSA-N 1 1 258.340 3.462 20 30 CGEDMO COc1ccc(C[N@H+](C)Cc2cccc(C#N)c2F)cc1 ZINC000219513577 393002055 /nfs/dbraw/zinc/00/20/55/393002055.db2.gz VGSAROQNHPNKFB-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO COc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2F)cc1 ZINC000219513577 393002063 /nfs/dbraw/zinc/00/20/63/393002063.db2.gz VGSAROQNHPNKFB-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC000342835357 393008014 /nfs/dbraw/zinc/00/80/14/393008014.db2.gz DPOKCZCHDKAEKK-GOSISDBHSA-N 1 1 287.403 3.254 20 30 CGEDMO C=CCn1c2ccccc2nc1SCCc1c[nH+]cn1C ZINC000412982737 393015103 /nfs/dbraw/zinc/01/51/03/393015103.db2.gz ZPNFLKHROSROSX-UHFFFAOYSA-N 1 1 298.415 3.291 20 30 CGEDMO C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1CC1(C#N)CC1 ZINC000343312985 393024761 /nfs/dbraw/zinc/02/47/61/393024761.db2.gz FSLDULMLHCNTIJ-ZBFHGGJFSA-N 1 1 254.377 3.243 20 30 CGEDMO C=CCOc1ccc(C[N@H+](C)[C@@H](C)CC(=O)OCC)cc1 ZINC000346316532 393083926 /nfs/dbraw/zinc/08/39/26/393083926.db2.gz ANFIJQQXBIUOHW-AWEZNQCLSA-N 1 1 291.391 3.025 20 30 CGEDMO Fc1ccc(C#CC[N@@H+]2CCC[C@@H]2c2cccnc2)cc1 ZINC000346981226 393097952 /nfs/dbraw/zinc/09/79/52/393097952.db2.gz NHKGNWZPKWQOIO-GOSISDBHSA-N 1 1 280.346 3.409 20 30 CGEDMO Fc1ccc(C#CC[N@H+]2CCC[C@@H]2c2cccnc2)cc1 ZINC000346981226 393097957 /nfs/dbraw/zinc/09/79/57/393097957.db2.gz NHKGNWZPKWQOIO-GOSISDBHSA-N 1 1 280.346 3.409 20 30 CGEDMO CC(C)(C#N)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000345712741 393064697 /nfs/dbraw/zinc/06/46/97/393064697.db2.gz OHDOLKNLAZOAGL-UHFFFAOYSA-N 1 1 287.363 3.499 20 30 CGEDMO CC(C)(C#N)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000345712741 393064702 /nfs/dbraw/zinc/06/47/02/393064702.db2.gz OHDOLKNLAZOAGL-UHFFFAOYSA-N 1 1 287.363 3.499 20 30 CGEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000346243510 393080838 /nfs/dbraw/zinc/08/08/38/393080838.db2.gz STHHNRFENYTMAU-TZMCWYRMSA-N 1 1 275.396 3.481 20 30 CGEDMO C[C@@H]1CCSCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000348170298 393115755 /nfs/dbraw/zinc/11/57/55/393115755.db2.gz TWJFINMNSMXDIO-LLVKDONJSA-N 1 1 264.369 3.025 20 30 CGEDMO C[C@@H]1CCSCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000348170298 393115761 /nfs/dbraw/zinc/11/57/61/393115761.db2.gz TWJFINMNSMXDIO-LLVKDONJSA-N 1 1 264.369 3.025 20 30 CGEDMO C[C@H](c1cnn(C)c1)[N@H+](C)CC#Cc1ccccc1Cl ZINC000348915318 393136250 /nfs/dbraw/zinc/13/62/50/393136250.db2.gz BQLQGGZFMAMYLW-CYBMUJFWSA-N 1 1 287.794 3.118 20 30 CGEDMO C[C@H](c1cnn(C)c1)[N@@H+](C)CC#Cc1ccccc1Cl ZINC000348915318 393136256 /nfs/dbraw/zinc/13/62/56/393136256.db2.gz BQLQGGZFMAMYLW-CYBMUJFWSA-N 1 1 287.794 3.118 20 30 CGEDMO C=CC[N@H+](Cc1cnn(C)c1C)CC1CCCCC1 ZINC000353556743 393224686 /nfs/dbraw/zinc/22/46/86/393224686.db2.gz BAQXVXUFWAWMHP-UHFFFAOYSA-N 1 1 261.413 3.297 20 30 CGEDMO C=CCOCC[N@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000569013094 393194786 /nfs/dbraw/zinc/19/47/86/393194786.db2.gz ROYGBZZXXSQALX-AEFFLSMTSA-N 1 1 289.419 3.268 20 30 CGEDMO C=CCOCC[N@@H+]1C[C@@H](c2cc(C)ccc2C)OC[C@H]1C ZINC000569013094 393194790 /nfs/dbraw/zinc/19/47/90/393194790.db2.gz ROYGBZZXXSQALX-AEFFLSMTSA-N 1 1 289.419 3.268 20 30 CGEDMO C=CCOCC[N@H+]1C[C@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000569013095 393194939 /nfs/dbraw/zinc/19/49/39/393194939.db2.gz ROYGBZZXXSQALX-FUHWJXTLSA-N 1 1 289.419 3.268 20 30 CGEDMO C=CCOCC[N@@H+]1C[C@H](c2cc(C)ccc2C)OC[C@@H]1C ZINC000569013095 393194944 /nfs/dbraw/zinc/19/49/44/393194944.db2.gz ROYGBZZXXSQALX-FUHWJXTLSA-N 1 1 289.419 3.268 20 30 CGEDMO C=CCOCCC[N@@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000570699530 393197995 /nfs/dbraw/zinc/19/79/95/393197995.db2.gz DAGNXWBTMNUQIN-MRXNPFEDSA-N 1 1 263.356 3.150 20 30 CGEDMO CC[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc(C#N)cc1 ZINC000278249366 393315715 /nfs/dbraw/zinc/31/57/15/393315715.db2.gz MLJMUVFINADHJX-MAUKXSAKSA-N 1 1 283.419 3.083 20 30 CGEDMO C[C@H]1[C@H](C(F)(F)F)CC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000470948096 393268787 /nfs/dbraw/zinc/26/87/87/393268787.db2.gz KHGVURNUXVIYBX-SMDDNHRTSA-N 1 1 298.308 3.210 20 30 CGEDMO Cc1cc(N[C@@H]2CCCc3cc(C#N)ccc32)nc(C)[nH+]1 ZINC000419012588 393363498 /nfs/dbraw/zinc/36/34/98/393363498.db2.gz FOYFUNQPOIQCFN-MRXNPFEDSA-N 1 1 278.359 3.455 20 30 CGEDMO Cc1cc(C[N@H+](C)[C@@H](CCO)c2ccccc2)ccc1C#N ZINC000488415292 393505243 /nfs/dbraw/zinc/50/52/43/393505243.db2.gz AFURVGDZSHEZOP-IBGZPJMESA-N 1 1 294.398 3.422 20 30 CGEDMO CC[NH+](CC)CCN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360841249 393596715 /nfs/dbraw/zinc/59/67/15/393596715.db2.gz REXSKGSVNCASMQ-SFHVURJKSA-N 1 1 285.435 3.257 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCC(C)(C)C#N ZINC000425533144 393698022 /nfs/dbraw/zinc/69/80/22/393698022.db2.gz KLIHZFRUEKNFEL-CYBMUJFWSA-N 1 1 255.365 3.491 20 30 CGEDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@@H](C)C1 ZINC000443638586 393768306 /nfs/dbraw/zinc/76/83/06/393768306.db2.gz DWMBBQVDWCRSPW-GJZGRUSLSA-N 1 1 299.418 3.255 20 30 CGEDMO Cc1cc(CN[C@@H]2CC[N@@H+](CC3CCCC3)C2)ccc1C#N ZINC000443991386 393780053 /nfs/dbraw/zinc/78/00/53/393780053.db2.gz UOLRTXYZWVTCRA-LJQANCHMSA-N 1 1 297.446 3.221 20 30 CGEDMO Cc1cc(C[NH2+][C@@H]2CCN(CC3CCCC3)C2)ccc1C#N ZINC000443991386 393780060 /nfs/dbraw/zinc/78/00/60/393780060.db2.gz UOLRTXYZWVTCRA-LJQANCHMSA-N 1 1 297.446 3.221 20 30 CGEDMO C=CC[NH+](CC=C)[C@@H](CNCc1ccncc1F)C(C)C ZINC000449075045 393874621 /nfs/dbraw/zinc/87/46/21/393874621.db2.gz MEMMRNHQSZTEGH-KRWDZBQOSA-N 1 1 291.414 3.009 20 30 CGEDMO C=CCOc1ccccc1C[NH2+]Cc1cnc(CCC)o1 ZINC000449610665 393920111 /nfs/dbraw/zinc/92/01/11/393920111.db2.gz HIZGBYYUDCQVCQ-UHFFFAOYSA-N 1 1 286.375 3.482 20 30 CGEDMO CC1(C)CCC[N@@H+]1CCN[C@H]1CCc2ccc(C#N)cc21 ZINC000453395931 394231622 /nfs/dbraw/zinc/23/16/22/394231622.db2.gz KATZORZOPZUXNX-KRWDZBQOSA-N 1 1 283.419 3.010 20 30 CGEDMO CC1(C)CCC[N@H+]1CCN[C@H]1CCc2ccc(C#N)cc21 ZINC000453395931 394231626 /nfs/dbraw/zinc/23/16/26/394231626.db2.gz KATZORZOPZUXNX-KRWDZBQOSA-N 1 1 283.419 3.010 20 30 CGEDMO C=CCCC[N@H+](C)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000667656723 542908434 /nfs/dbraw/zinc/90/84/34/542908434.db2.gz PZORJDYPNAVFAI-QGZVFWFLSA-N 1 1 275.392 3.252 20 30 CGEDMO C=C(C)COc1cc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)ccc1OC ZINC000668676630 543042983 /nfs/dbraw/zinc/04/29/83/543042983.db2.gz UJHRAZMOCQWPOG-HZPDHXFCSA-N 1 1 287.403 3.492 20 30 CGEDMO C=C(C)COc1cc(C[N@H+]2CC[C@H]3C[C@H]3C2)ccc1OC ZINC000668676629 543042691 /nfs/dbraw/zinc/04/26/91/543042691.db2.gz UJHRAZMOCQWPOG-HOTGVXAUSA-N 1 1 287.403 3.492 20 30 CGEDMO Cc1ccc(C[N@@H+](C)CCOc2cccc(C#N)c2)cc1 ZINC000034674355 397605850 /nfs/dbraw/zinc/60/58/50/397605850.db2.gz AQZVKEPNRMZDMG-UHFFFAOYSA-N 1 1 280.371 3.378 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H](CNc2cccc(F)c2C#N)C1 ZINC000301139469 397673657 /nfs/dbraw/zinc/67/36/57/397673657.db2.gz GNEDRABGSSSQBS-ZDUSSCGKSA-N 1 1 275.371 3.230 20 30 CGEDMO C=CCC[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000338566468 397683808 /nfs/dbraw/zinc/68/38/08/397683808.db2.gz RCVJTVXSUFNFSU-UHFFFAOYSA-N 1 1 271.360 3.123 20 30 CGEDMO C=CCC[N@@H+]1CCc2ccc(Br)cc2C1 ZINC000342166536 397684507 /nfs/dbraw/zinc/68/45/07/397684507.db2.gz ZIPSPPPNMQVVSS-UHFFFAOYSA-N 1 1 266.182 3.383 20 30 CGEDMO CCC[N@@H+](CC#CCOC)[C@H]1CCc2ccccc21 ZINC000677818361 543467340 /nfs/dbraw/zinc/46/73/40/543467340.db2.gz JWNVBVRVQQSWJL-KRWDZBQOSA-N 1 1 257.377 3.036 20 30 CGEDMO CCC#C[C@@H](C)[N@@H+](CC)CC1CCN(c2ccccn2)CC1 ZINC000677950863 543474635 /nfs/dbraw/zinc/47/46/35/543474635.db2.gz AKPCDXCAYJCYDY-QGZVFWFLSA-N 1 1 299.462 3.422 20 30 CGEDMO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000073479829 165079758 /nfs/dbraw/zinc/07/97/58/165079758.db2.gz NVDZWVOJJSSFGA-KRWDZBQOSA-N 1 1 283.350 3.373 20 30 CGEDMO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000073479829 165079760 /nfs/dbraw/zinc/07/97/60/165079760.db2.gz NVDZWVOJJSSFGA-KRWDZBQOSA-N 1 1 283.350 3.373 20 30 CGEDMO CC(C)[N@@H+](CCC(=O)Nc1ccccc1C#N)C1CCC1 ZINC000077358748 165120543 /nfs/dbraw/zinc/12/05/43/165120543.db2.gz QZZRKPYLINJNRF-UHFFFAOYSA-N 1 1 285.391 3.150 20 30 CGEDMO COc1ccc(C[N@@H+](C)Cc2ccc(F)cc2)cc1C#N ZINC000087833207 165189969 /nfs/dbraw/zinc/18/99/69/165189969.db2.gz YEUKKGRNFOZNAX-UHFFFAOYSA-N 1 1 284.334 3.338 20 30 CGEDMO COc1ccc(C[N@@H+](C)[C@H](C)c2ccncc2)cc1C#N ZINC000091988444 165276530 /nfs/dbraw/zinc/27/65/30/165276530.db2.gz QGHFKZBTORMJFB-CYBMUJFWSA-N 1 1 281.359 3.155 20 30 CGEDMO C[N@@H+](CCCOc1ccc(F)cc1)Cc1ccc(C#N)o1 ZINC000091948902 165278134 /nfs/dbraw/zinc/27/81/34/165278134.db2.gz WMDOISDDFQPBKR-UHFFFAOYSA-N 1 1 288.322 3.191 20 30 CGEDMO COCC[N@H+](Cc1occc1C)Cc1ccc(C#N)cc1 ZINC000092567910 165301367 /nfs/dbraw/zinc/30/13/67/165301367.db2.gz CELSTKOBOBGVTB-UHFFFAOYSA-N 1 1 284.359 3.108 20 30 CGEDMO COCC[N@@H+](Cc1occc1C)Cc1ccc(C#N)cc1 ZINC000092567910 165301370 /nfs/dbraw/zinc/30/13/70/165301370.db2.gz CELSTKOBOBGVTB-UHFFFAOYSA-N 1 1 284.359 3.108 20 30 CGEDMO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000093008195 165321662 /nfs/dbraw/zinc/32/16/62/165321662.db2.gz BWZSPMTUVKHLBV-MRXNPFEDSA-N 1 1 282.343 3.497 20 30 CGEDMO COc1ccccc1[C@H]1CCC[N@H+]1Cc1ccc(C#N)o1 ZINC000093008195 165321666 /nfs/dbraw/zinc/32/16/66/165321666.db2.gz BWZSPMTUVKHLBV-MRXNPFEDSA-N 1 1 282.343 3.497 20 30 CGEDMO CC[C@@]1(C)CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000093458978 165329790 /nfs/dbraw/zinc/32/97/90/165329790.db2.gz NQRSCYDWLRDUIF-KRWDZBQOSA-N 1 1 282.391 3.218 20 30 CGEDMO CCS[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(C#N)o2)C1 ZINC000093868680 165341191 /nfs/dbraw/zinc/34/11/91/165341191.db2.gz VTBQWUUKUZJMHT-FZMZJTMJSA-N 1 1 264.394 3.257 20 30 CGEDMO C[C@@H]1C[C@H](Nc2cc(Cl)ccc2C#N)C[N@H+]1C1CC1 ZINC000122818585 287212964 /nfs/dbraw/zinc/21/29/64/287212964.db2.gz XNLFPOGSJHELQD-MFKMUULPSA-N 1 1 275.783 3.249 20 30 CGEDMO CC[C@H]1CC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000125868899 287252166 /nfs/dbraw/zinc/25/21/66/287252166.db2.gz GDOHYNAIPPQCSX-ZDUSSCGKSA-N 1 1 253.349 3.043 20 30 CGEDMO N#Cc1ccc(OCC[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000035163412 172024642 /nfs/dbraw/zinc/02/46/42/172024642.db2.gz QWVSPHTWOMJXFL-DLBZAZTESA-N 1 1 284.403 3.449 20 30 CGEDMO C=CCC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000035718802 172372909 /nfs/dbraw/zinc/37/29/09/172372909.db2.gz VLOLLFMAPSCLPZ-OAHLLOKOSA-N 1 1 281.346 3.256 20 30 CGEDMO Cc1cc(N[C@@H](C)c2ccc(C#N)cc2)nc(C)[nH+]1 ZINC000037502094 173238407 /nfs/dbraw/zinc/23/84/07/173238407.db2.gz WYXBRXZWBGQLEV-NSHDSACASA-N 1 1 252.321 3.138 20 30 CGEDMO FC(F)O[C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000679681280 543657086 /nfs/dbraw/zinc/65/70/86/543657086.db2.gz FVCQRERVDABLHY-CQSZACIVSA-N 1 1 299.748 3.395 20 30 CGEDMO FC(F)O[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000679681280 543657089 /nfs/dbraw/zinc/65/70/89/543657089.db2.gz FVCQRERVDABLHY-CQSZACIVSA-N 1 1 299.748 3.395 20 30 CGEDMO CCC#C[C@@H](C)[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000679871868 543666545 /nfs/dbraw/zinc/66/65/45/543666545.db2.gz BCPKPLRPXYNIDX-OLZOCXBDSA-N 1 1 299.340 3.341 20 30 CGEDMO Cc1noc(C)c1[C@H](C)[NH2+]CC#Cc1ccc(F)cc1 ZINC000680380039 543706394 /nfs/dbraw/zinc/70/63/94/543706394.db2.gz CGWWBVBAVKWMCL-NSHDSACASA-N 1 1 272.323 3.133 20 30 CGEDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1Nc1cccc(OCCCC#N)c1 ZINC000346537232 225834597 /nfs/dbraw/zinc/83/45/97/225834597.db2.gz CHLSSQHQWDVFNM-KBXCAEBGSA-N 1 1 299.418 3.264 20 30 CGEDMO C=CCCn1cc(C[N@@H+](C2CC2)C2CCCCC2)nn1 ZINC000653496248 419037280 /nfs/dbraw/zinc/03/72/80/419037280.db2.gz KDHBZNSRJWVHGZ-UHFFFAOYSA-N 1 1 274.412 3.151 20 30 CGEDMO C=CCCn1cc(C[N@H+](C)C[C@H](C)c2ccccc2)nn1 ZINC000653539180 419043606 /nfs/dbraw/zinc/04/36/06/419043606.db2.gz VKEAUPUCJJSKDQ-HNNXBMFYSA-N 1 1 284.407 3.090 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CCCCC[C@H]2CC)nn1 ZINC000653558829 419048206 /nfs/dbraw/zinc/04/82/06/419048206.db2.gz YYARTDCJAAMFOP-OAHLLOKOSA-N 1 1 262.401 3.009 20 30 CGEDMO C=CCC1(NC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CCCC1 ZINC000665355493 419117275 /nfs/dbraw/zinc/11/72/75/419117275.db2.gz XBCAOPGDVMFSEG-CQSZACIVSA-N 1 1 293.455 3.047 20 30 CGEDMO C=CCCn1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CCC)nn1 ZINC000653582194 419053814 /nfs/dbraw/zinc/05/38/14/419053814.db2.gz BCDCQRQOIAURDR-ZBFHGGJFSA-N 1 1 276.428 3.255 20 30 CGEDMO C=CCCn1cc(C[NH2+]C(C)(C)c2ccc(CC)cc2)nn1 ZINC000653606470 419058089 /nfs/dbraw/zinc/05/80/89/419058089.db2.gz LWVUQWGBNPXYKB-UHFFFAOYSA-N 1 1 298.434 3.442 20 30 CGEDMO C=CCCn1cc(C[NH+]2CC(C)(C)CC(C)(C)C2)nn1 ZINC000653618568 419061327 /nfs/dbraw/zinc/06/13/27/419061327.db2.gz MIKMVWBQHZTGCH-UHFFFAOYSA-N 1 1 276.428 3.112 20 30 CGEDMO C=CC[N@H+](Cc1cccc(OC)c1Cl)[C@@H](C)COC ZINC000661240786 419243312 /nfs/dbraw/zinc/24/33/12/419243312.db2.gz UASPHDIYUARROQ-LBPRGKRZSA-N 1 1 283.799 3.372 20 30 CGEDMO C=CC[N@@H+](Cc1cccc(OC)c1Cl)[C@@H](C)COC ZINC000661240786 419243315 /nfs/dbraw/zinc/24/33/15/419243315.db2.gz UASPHDIYUARROQ-LBPRGKRZSA-N 1 1 283.799 3.372 20 30 CGEDMO C=CC[N@H+](CCc1cccc(F)c1F)[C@H](C)COC ZINC000661240635 419243370 /nfs/dbraw/zinc/24/33/70/419243370.db2.gz PJJSHEXSYLGDIC-GFCCVEGCSA-N 1 1 269.335 3.030 20 30 CGEDMO C=CC[C@@H]1CCC[N@@H+](Cc2nc(-c3ccco3)no2)C1 ZINC000661377909 419255808 /nfs/dbraw/zinc/25/58/08/419255808.db2.gz WKNBXZYBNKSTHV-GFCCVEGCSA-N 1 1 273.336 3.118 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1cccc(F)c1)C(C)(C)C ZINC000661755811 419295264 /nfs/dbraw/zinc/29/52/64/419295264.db2.gz ZLNPFLMZBAFFPV-UHFFFAOYSA-N 1 1 264.344 3.051 20 30 CGEDMO C=CC[N@@H+](C[C@@H](O)Cc1ccc(F)cc1)C(C)(C)C ZINC000661758235 419295677 /nfs/dbraw/zinc/29/56/77/419295677.db2.gz PZADRKQATSIBBD-HNNXBMFYSA-N 1 1 265.372 3.016 20 30 CGEDMO Cc1cccc(NCCNC(=O)[C@H]2CC23CCCC3)[nH+]1 ZINC000330022994 228018776 /nfs/dbraw/zinc/01/87/76/228018776.db2.gz HZKOMEUIXSDEHA-CYBMUJFWSA-N 1 1 273.380 3.339 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000662080644 419333228 /nfs/dbraw/zinc/33/32/28/419333228.db2.gz LEERWADRQWEXJS-BQJWPVKWSA-N 1 1 290.451 3.062 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOCc1ccc(OC)cc1 ZINC000662084009 419334643 /nfs/dbraw/zinc/33/46/43/419334643.db2.gz MAQJVZCUFJZSOC-CALCHBBNSA-N 1 1 287.403 3.395 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(OCC)cn1 ZINC000662084867 419335005 /nfs/dbraw/zinc/33/50/05/419335005.db2.gz XSTAFMRQRXASTJ-GASCZTMLSA-N 1 1 258.365 3.163 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2c[nH]nc2c1 ZINC000662088424 419335085 /nfs/dbraw/zinc/33/50/85/419335085.db2.gz FIWYAOIEKRXBOL-GASCZTMLSA-N 1 1 253.349 3.246 20 30 CGEDMO Cc1nc(C(C)C)oc1C[NH+]1CCC(C)(C#N)CC1 ZINC000336111166 228189608 /nfs/dbraw/zinc/18/96/08/228189608.db2.gz FXMLLNKPOWODRP-UHFFFAOYSA-N 1 1 261.369 3.232 20 30 CGEDMO C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(CCCOC)CC1 ZINC000657868246 419395564 /nfs/dbraw/zinc/39/55/64/419395564.db2.gz ZJEDYPHWKVDACL-SJLPKXTDSA-N 1 1 294.483 3.212 20 30 CGEDMO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000657835875 419378971 /nfs/dbraw/zinc/37/89/71/419378971.db2.gz RNEYCSXAYSTWSD-ZMSDIMECSA-N 1 1 262.441 3.195 20 30 CGEDMO C=CC[N@@H+](CCc1ccccc1)[C@H](C)c1nc(C)no1 ZINC000662574592 419456481 /nfs/dbraw/zinc/45/64/81/419456481.db2.gz SHZHYLDYCXVXKG-CYBMUJFWSA-N 1 1 271.364 3.170 20 30 CGEDMO C=CC[N@H+](CCc1ccccc1)[C@H](C)c1nc(C)no1 ZINC000662574592 419456491 /nfs/dbraw/zinc/45/64/91/419456491.db2.gz SHZHYLDYCXVXKG-CYBMUJFWSA-N 1 1 271.364 3.170 20 30 CGEDMO C=CCC[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1 ZINC000658112885 419588017 /nfs/dbraw/zinc/58/80/17/419588017.db2.gz AHAPQJLYUGGELR-MRXNPFEDSA-N 1 1 272.436 3.248 20 30 CGEDMO N#CCCCC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000370678487 260002158 /nfs/dbraw/zinc/00/21/58/260002158.db2.gz WZEBMISRSPLGNK-MOPGFXCFSA-N 1 1 297.446 3.134 20 30 CGEDMO N#CCCCC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000370678487 260002159 /nfs/dbraw/zinc/00/21/59/260002159.db2.gz WZEBMISRSPLGNK-MOPGFXCFSA-N 1 1 297.446 3.134 20 30 CGEDMO N#CCCCC[N@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000370678487 260002164 /nfs/dbraw/zinc/00/21/64/260002164.db2.gz WZEBMISRSPLGNK-MOPGFXCFSA-N 1 1 297.446 3.134 20 30 CGEDMO N#CCCCC[N@@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000370678487 260002165 /nfs/dbraw/zinc/00/21/65/260002165.db2.gz WZEBMISRSPLGNK-MOPGFXCFSA-N 1 1 297.446 3.134 20 30 CGEDMO N#CCCCC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000070976520 260270988 /nfs/dbraw/zinc/27/09/88/260270988.db2.gz FAPNZMONRCLZAG-MRXNPFEDSA-N 1 1 288.391 3.067 20 30 CGEDMO N#CCCC1CC[NH+](Cc2ccc3nc[nH]c3c2)CC1 ZINC000518377059 260390283 /nfs/dbraw/zinc/39/02/83/260390283.db2.gz PANXLEGTYDWNEB-UHFFFAOYSA-N 1 1 268.364 3.079 20 30 CGEDMO C[C@@H]1CSCC[N@@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177264993 261344180 /nfs/dbraw/zinc/34/41/80/261344180.db2.gz HEEIKIRBGHWPKE-GFCCVEGCSA-N 1 1 299.361 3.494 20 30 CGEDMO C[C@@H]1CSCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000177264993 261344181 /nfs/dbraw/zinc/34/41/81/261344181.db2.gz HEEIKIRBGHWPKE-GFCCVEGCSA-N 1 1 299.361 3.494 20 30 CGEDMO C[C@H]1CSCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000177265247 261344190 /nfs/dbraw/zinc/34/41/90/261344190.db2.gz AFCHBCAMRZENPN-LBPRGKRZSA-N 1 1 265.809 3.129 20 30 CGEDMO C[C@H]1CSCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000177265247 261344191 /nfs/dbraw/zinc/34/41/91/261344191.db2.gz AFCHBCAMRZENPN-LBPRGKRZSA-N 1 1 265.809 3.129 20 30 CGEDMO CC(C)(C#N)CCC[N@@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000174859271 261586848 /nfs/dbraw/zinc/58/68/48/261586848.db2.gz SUROWTLPDHKLEB-QGZVFWFLSA-N 1 1 286.419 3.298 20 30 CGEDMO COc1cncc(/C=C/CC[N@@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000517027577 261703135 /nfs/dbraw/zinc/70/31/35/261703135.db2.gz MXWDMPJRGFFNFL-LYKUJDHUSA-N 1 1 285.391 3.118 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1c[nH]nc1-c1c(F)cccc1F ZINC000184082025 262007133 /nfs/dbraw/zinc/00/71/33/262007133.db2.gz DWCANYGFYVNNFS-LLVKDONJSA-N 1 1 290.317 3.137 20 30 CGEDMO N#CCCCC[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000186062169 262077069 /nfs/dbraw/zinc/07/70/69/262077069.db2.gz OBOKXXFNXOJTGB-QGZVFWFLSA-N 1 1 272.392 3.014 20 30 CGEDMO CCCC[N@@H+](CC)Cc1cccc(CNCCC#N)c1 ZINC000521029493 262171520 /nfs/dbraw/zinc/17/15/20/262171520.db2.gz FIWAYSOYEPNTLH-UHFFFAOYSA-N 1 1 273.424 3.312 20 30 CGEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCCn1ccnc1 ZINC000367762478 262283811 /nfs/dbraw/zinc/28/38/11/262283811.db2.gz CICUYDBRSBSHGK-ZWKOTPCHSA-N 1 1 294.402 3.045 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000496197802 262339854 /nfs/dbraw/zinc/33/98/54/262339854.db2.gz QIVIVHDALXWIRQ-UONOGXRCSA-N 1 1 282.428 3.330 20 30 CGEDMO CCCCNC(=O)OC[C@H]1CCCC[N@H+]1CCCCC#N ZINC000496284199 262341684 /nfs/dbraw/zinc/34/16/84/262341684.db2.gz OGVKGOXKKCQAQB-OAHLLOKOSA-N 1 1 295.427 3.061 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000355203007 262354590 /nfs/dbraw/zinc/35/45/90/262354590.db2.gz DCTJKYFEKGHPEB-LSDHHAIUSA-N 1 1 264.413 3.065 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000365626571 262376226 /nfs/dbraw/zinc/37/62/26/262376226.db2.gz XQPWKVDCUABTKW-HUUCEWRRSA-N 1 1 276.424 3.350 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCOCC2(CCC2)C1 ZINC000365631618 262376871 /nfs/dbraw/zinc/37/68/71/262376871.db2.gz YBVPXSSCTFXCNI-UHFFFAOYSA-N 1 1 264.413 3.209 20 30 CGEDMO C[C@@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)C[C@H]1C ZINC000337172543 262428209 /nfs/dbraw/zinc/42/82/09/262428209.db2.gz FLYSCVWTTTUCCG-HUUCEWRRSA-N 1 1 264.413 3.065 20 30 CGEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CCC(C)(C)C#N ZINC000271952053 263000575 /nfs/dbraw/zinc/00/05/75/263000575.db2.gz BCJJTGPSLCQRHU-CYBMUJFWSA-N 1 1 260.385 3.103 20 30 CGEDMO C[N@@H+](CCOCc1ccccc1)CCC(C)(C)C#N ZINC000272015159 263001000 /nfs/dbraw/zinc/00/10/00/263001000.db2.gz LJBXYWWUNFQVOB-UHFFFAOYSA-N 1 1 260.381 3.075 20 30 CGEDMO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)(C#N)CC1 ZINC000272480696 263004956 /nfs/dbraw/zinc/00/49/56/263004956.db2.gz AYYOSPDFMMYDTG-GFCCVEGCSA-N 1 1 273.336 3.281 20 30 CGEDMO CC1(C#N)CC[NH+](Cc2cc(-c3ccccc3)no2)CC1 ZINC000272644097 263007841 /nfs/dbraw/zinc/00/78/41/263007841.db2.gz YAMXSOXVWFREML-UHFFFAOYSA-N 1 1 281.359 3.467 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000275465606 263033413 /nfs/dbraw/zinc/03/34/13/263033413.db2.gz NUXCAZZRAZUBKO-INIZCTEOSA-N 1 1 286.419 3.081 20 30 CGEDMO Cc1ccccc1OCCC[N@H+](C)[C@@H]1CC[C@@H](C#N)C1 ZINC000278701667 263050019 /nfs/dbraw/zinc/05/00/19/263050019.db2.gz SYVWDLFZJPTMKX-HZPDHXFCSA-N 1 1 272.392 3.388 20 30 CGEDMO C[N@H+](Cc1nc2ccccc2s1)[C@H]1CC[C@@H](C#N)C1 ZINC000278751035 263050773 /nfs/dbraw/zinc/05/07/73/263050773.db2.gz XCKPEJDGOHGOES-NEPJUHHUSA-N 1 1 271.389 3.420 20 30 CGEDMO C[N@@H+](Cc1nc2ccccc2s1)[C@H]1CC[C@@H](C#N)C1 ZINC000278751035 263050774 /nfs/dbraw/zinc/05/07/74/263050774.db2.gz XCKPEJDGOHGOES-NEPJUHHUSA-N 1 1 271.389 3.420 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@](C)(O)CC1 ZINC000280252426 263060106 /nfs/dbraw/zinc/06/01/06/263060106.db2.gz XDYHDYDQUDXLAA-SFHVURJKSA-N 1 1 286.419 3.225 20 30 CGEDMO COCc1ccc([C@@H]2CCC[N@H+]2[C@@H]2CC[C@@H](C#N)C2)o1 ZINC000280996182 263065623 /nfs/dbraw/zinc/06/56/23/263065623.db2.gz MFLQZJHVYSORSO-NFAWXSAZSA-N 1 1 274.364 3.255 20 30 CGEDMO C=C[C@H](CC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000340146050 263077822 /nfs/dbraw/zinc/07/78/22/263077822.db2.gz AWMZWHRSKCOLDM-QAPCUYQASA-N 1 1 298.430 3.041 20 30 CGEDMO N#CCSCCC[N@H+]1CCC=C(c2ccco2)C1 ZINC000285295011 263091777 /nfs/dbraw/zinc/09/17/77/263091777.db2.gz KRBIUOSMRFNWHK-UHFFFAOYSA-N 1 1 262.378 3.016 20 30 CGEDMO N#CCOc1ccc(C[N@H+]2CCC=C(c3ccco3)C2)cc1 ZINC000285415863 263092633 /nfs/dbraw/zinc/09/26/33/263092633.db2.gz VFRGSZBCSMKAAR-UHFFFAOYSA-N 1 1 294.354 3.471 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000286030644 263096730 /nfs/dbraw/zinc/09/67/30/263096730.db2.gz HWIIVWDLFBBBLZ-AWEZNQCLSA-N 1 1 260.385 3.267 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC000340229910 263098487 /nfs/dbraw/zinc/09/84/87/263098487.db2.gz AXSNRVKZZMYIHJ-HNNXBMFYSA-N 1 1 259.393 3.107 20 30 CGEDMO C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C[C@@H](c2ccc(F)cc2)O1 ZINC000292911213 263136465 /nfs/dbraw/zinc/13/64/65/263136465.db2.gz XCJLZSCGFPHQGV-KFZJALRRSA-N 1 1 288.366 3.280 20 30 CGEDMO C[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C#N)C2)C[C@@H](c2ccc(F)cc2)O1 ZINC000292911213 263136466 /nfs/dbraw/zinc/13/64/66/263136466.db2.gz XCJLZSCGFPHQGV-KFZJALRRSA-N 1 1 288.366 3.280 20 30 CGEDMO Cc1ccc([C@H]2C[C@@H](C)CC[N@H+]2CCOCCC#N)o1 ZINC000292925896 263136562 /nfs/dbraw/zinc/13/65/62/263136562.db2.gz YNLUZVGMEIXUKL-DZGCQCFKSA-N 1 1 276.380 3.291 20 30 CGEDMO C[C@H]1SCC[N@@H+](CCOCCC#N)[C@H]1c1ccccc1 ZINC000293027244 263137166 /nfs/dbraw/zinc/13/71/66/263137166.db2.gz ITTBWIIVTJLIGV-GDBMZVCRSA-N 1 1 290.432 3.095 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](c3cccc(F)c3)C2)C1 ZINC000293229380 263138766 /nfs/dbraw/zinc/13/87/66/263138766.db2.gz VWOVECYTQBBSMK-XPKDYRNWSA-N 1 1 258.340 3.307 20 30 CGEDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1)[C@H]1CC[C@H](C#N)C1 ZINC000293493580 263141849 /nfs/dbraw/zinc/14/18/49/263141849.db2.gz NHDFMDDEDGERAF-ZFWWWQNUSA-N 1 1 288.391 3.218 20 30 CGEDMO C[N@@H+](CCCSCC#N)CCOc1ccccc1Cl ZINC000342079983 263385695 /nfs/dbraw/zinc/38/56/95/263385695.db2.gz VCOUXBUYTNJIGW-UHFFFAOYSA-N 1 1 298.839 3.297 20 30 CGEDMO COCC1(C#N)CC[NH+](Cc2cnc(C(C)C)s2)CC1 ZINC000342844894 263529829 /nfs/dbraw/zinc/52/98/29/263529829.db2.gz VUKUMONEEZPCOS-UHFFFAOYSA-N 1 1 293.436 3.019 20 30 CGEDMO COc1cccc([C@@H]2CCC[N@@H+]2CC2(C#N)CC2)c1 ZINC000343252066 264069541 /nfs/dbraw/zinc/06/95/41/264069541.db2.gz RDWUNDLREBRTHB-HNNXBMFYSA-N 1 1 256.349 3.136 20 30 CGEDMO COc1cccc([C@@H]2CCC[N@H+]2CC2(C#N)CC2)c1 ZINC000343252066 264069542 /nfs/dbraw/zinc/06/95/42/264069542.db2.gz RDWUNDLREBRTHB-HNNXBMFYSA-N 1 1 256.349 3.136 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@@H](OC)C1CC1 ZINC000425405044 264283747 /nfs/dbraw/zinc/28/37/47/264283747.db2.gz KSOXLLXUTCFBEY-MRXNPFEDSA-N 1 1 263.356 3.239 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000129650618 264328016 /nfs/dbraw/zinc/32/80/16/264328016.db2.gz OHDXSBWRVPCBOQ-AWEZNQCLSA-N 1 1 270.380 3.226 20 30 CGEDMO C=CCC[N@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000132614253 264397689 /nfs/dbraw/zinc/39/76/89/264397689.db2.gz ZIQPOEQRNLTJJG-CQSZACIVSA-N 1 1 296.208 3.399 20 30 CGEDMO CC#CC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000282634104 264506317 /nfs/dbraw/zinc/50/63/17/264506317.db2.gz GBLFMUQTFVLIDE-AWEZNQCLSA-N 1 1 270.376 3.023 20 30 CGEDMO C[N@@H+](CCCOc1cccc(C#N)c1)CC(C)(C)C ZINC000045073547 270037905 /nfs/dbraw/zinc/03/79/05/270037905.db2.gz CCFZXFDCFBCLNM-UHFFFAOYSA-N 1 1 260.381 3.305 20 30 CGEDMO C=CCCC1(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000356198457 266069720 /nfs/dbraw/zinc/06/97/20/266069720.db2.gz MQCKGEKCWHTHGN-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(C#N)cc1F ZINC000524970492 270116373 /nfs/dbraw/zinc/11/63/73/270116373.db2.gz HHGUEIPWUAOKIB-CQSZACIVSA-N 1 1 298.361 3.080 20 30 CGEDMO C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cc1F ZINC000524970492 270116374 /nfs/dbraw/zinc/11/63/74/270116374.db2.gz HHGUEIPWUAOKIB-CQSZACIVSA-N 1 1 298.361 3.080 20 30 CGEDMO C[C@@H]1CCC[C@H](C)C[N@@H+]1CCOc1ccccc1C#N ZINC000525127855 270117189 /nfs/dbraw/zinc/11/71/89/270117189.db2.gz QEQJHUGADFJCCF-LSDHHAIUSA-N 1 1 272.392 3.448 20 30 CGEDMO C=CC[N@H+](CCOC)[C@@H]1CCc2ccc(Cl)cc21 ZINC000361997434 266916374 /nfs/dbraw/zinc/91/63/74/266916374.db2.gz WGLBRGIBIYOYGI-OAHLLOKOSA-N 1 1 265.784 3.462 20 30 CGEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000368439253 267173138 /nfs/dbraw/zinc/17/31/38/267173138.db2.gz SIIBTASXNFYHGD-INIZCTEOSA-N 1 1 278.440 3.455 20 30 CGEDMO C[C@H]1CC(F)(F)CC[N@@H+]1Cc1cn2ccccc2c1C#N ZINC000528771722 270172592 /nfs/dbraw/zinc/17/25/92/270172592.db2.gz XXPGIXQSOIWZNE-LBPRGKRZSA-N 1 1 289.329 3.431 20 30 CGEDMO C[C@H]1CC(F)(F)CC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000528771722 270172593 /nfs/dbraw/zinc/17/25/93/270172593.db2.gz XXPGIXQSOIWZNE-LBPRGKRZSA-N 1 1 289.329 3.431 20 30 CGEDMO C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)c1ccn(C)n1 ZINC000334869573 274526664 /nfs/dbraw/zinc/52/66/64/274526664.db2.gz YRLYAVISHMEYPS-SJCJKPOMSA-N 1 1 280.375 3.020 20 30 CGEDMO CC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CCCC1 ZINC000035766125 276342143 /nfs/dbraw/zinc/34/21/43/276342143.db2.gz JKOQRPCKXFXBOK-UHFFFAOYSA-N 1 1 285.391 3.151 20 30 CGEDMO COC[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccc(C)o1 ZINC000353278348 277600742 /nfs/dbraw/zinc/60/07/42/277600742.db2.gz WUDHISJCHOAGSW-IRXDYDNUSA-N 1 1 296.370 3.424 20 30 CGEDMO Cc1ccccc1[C@H]1CC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000336009983 281393190 /nfs/dbraw/zinc/39/31/90/281393190.db2.gz JUWCEGLJPJDDDM-ZDUSSCGKSA-N 1 1 283.400 3.313 20 30 CGEDMO Cc1ccccc1[C@H]1CC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000336009983 281393193 /nfs/dbraw/zinc/39/31/93/281393193.db2.gz JUWCEGLJPJDDDM-ZDUSSCGKSA-N 1 1 283.400 3.313 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000531868896 328053120 /nfs/dbraw/zinc/05/31/20/328053120.db2.gz OUGBXFPMMQXHOD-AWEZNQCLSA-N 1 1 267.413 3.396 20 30 CGEDMO C[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000269021592 328188932 /nfs/dbraw/zinc/18/89/32/328188932.db2.gz ZGUVZLOZPCLRJR-PBHICJAKSA-N 1 1 286.419 3.223 20 30 CGEDMO CCCCCCCCCN(C)C(=O)c1csc(C[NH3+])n1 ZINC000269275558 328190351 /nfs/dbraw/zinc/19/03/51/328190351.db2.gz ZSFVKMXTNPOGLR-UHFFFAOYSA-N 1 1 297.468 3.424 20 30 CGEDMO C[C@@H](CCC#N)[N@H+](C)Cc1nc2c(s1)CCCC2 ZINC000276361080 328218103 /nfs/dbraw/zinc/21/81/03/328218103.db2.gz YPAMPDMLBKHKSG-NSHDSACASA-N 1 1 263.410 3.146 20 30 CGEDMO C[C@@H](CCC#N)[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000276361080 328218104 /nfs/dbraw/zinc/21/81/04/328218104.db2.gz YPAMPDMLBKHKSG-NSHDSACASA-N 1 1 263.410 3.146 20 30 CGEDMO COc1ccc(CCC[N@@H+](C)[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000278510976 328226002 /nfs/dbraw/zinc/22/60/02/328226002.db2.gz BHXSQPNROBKLGW-JKSUJKDBSA-N 1 1 272.392 3.252 20 30 CGEDMO C[C@H](c1ccsc1)[NH+]1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000278539777 328226775 /nfs/dbraw/zinc/22/67/75/328226775.db2.gz GEVOEUFHRLMJMY-IJEWVQPXSA-N 1 1 289.448 3.119 20 30 CGEDMO N#CCCOCC[N@@H+](Cc1ccoc1)C1CCCCC1 ZINC000292663864 328273049 /nfs/dbraw/zinc/27/30/49/328273049.db2.gz APNRSOBDDNYTJW-UHFFFAOYSA-N 1 1 276.380 3.345 20 30 CGEDMO C=CC[N@@H+](CC(=O)NCCC(C)(C)C)Cc1ccccc1 ZINC000531903599 328306019 /nfs/dbraw/zinc/30/60/19/328306019.db2.gz VYZIPZVWPIQSIB-UHFFFAOYSA-N 1 1 288.435 3.227 20 30 CGEDMO C=CC[N@H+](CC(=O)NCCC(C)(C)C)Cc1ccccc1 ZINC000531903599 328306021 /nfs/dbraw/zinc/30/60/21/328306021.db2.gz VYZIPZVWPIQSIB-UHFFFAOYSA-N 1 1 288.435 3.227 20 30 CGEDMO C[N@@H+]1CC=C(CNc2cccc(C(F)F)c2C#N)CC1 ZINC000565231093 322068474 /nfs/dbraw/zinc/06/84/74/322068474.db2.gz ZNGIGRYOLYJNIA-UHFFFAOYSA-N 1 1 277.318 3.170 20 30 CGEDMO CC[N@@H+](Cc1ncccc1O)[C@H](C)c1ccc(C#N)cc1 ZINC000565507036 322080271 /nfs/dbraw/zinc/08/02/71/322080271.db2.gz CMVYNEYBPJACSD-CYBMUJFWSA-N 1 1 281.359 3.242 20 30 CGEDMO C[C@@H]1CC[N@@H+](Cc2cc(C#N)n(C)c2)[C@H]2CCCC[C@H]12 ZINC000565750925 322089432 /nfs/dbraw/zinc/08/94/32/322089432.db2.gz LMNRBLFXDIPURL-XYPHTWIQSA-N 1 1 271.408 3.297 20 30 CGEDMO C[N@@H+](CCNc1cccc(C(F)F)c1C#N)C1CC1 ZINC000566478005 322125439 /nfs/dbraw/zinc/12/54/39/322125439.db2.gz LBJLALMXMDNPSK-UHFFFAOYSA-N 1 1 265.307 3.002 20 30 CGEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000567986730 322186777 /nfs/dbraw/zinc/18/67/77/322186777.db2.gz BSNFZDUALNJRMP-RTBURBONSA-N 1 1 296.414 3.198 20 30 CGEDMO Cc1nnc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)s1 ZINC000567987321 322186906 /nfs/dbraw/zinc/18/69/06/322186906.db2.gz FQAPMVIOMAEBKG-HNNXBMFYSA-N 1 1 298.415 3.276 20 30 CGEDMO N#Cc1ccc(C[NH2+]C2(c3cccc(Cl)c3)CC2)nc1 ZINC000568408880 322207913 /nfs/dbraw/zinc/20/79/13/322207913.db2.gz DWXBXZXAORSCHO-UHFFFAOYSA-N 1 1 283.762 3.386 20 30 CGEDMO C[C@H]1C[C@H](Nc2ccc(Cl)cc2C#N)C[N@H+]1C1CC1 ZINC000569635158 322252765 /nfs/dbraw/zinc/25/27/65/322252765.db2.gz QOYIWFNROGJBPJ-GWCFXTLKSA-N 1 1 275.783 3.249 20 30 CGEDMO C[C@H](NCC[N@H+]1CC[C@@H](C)C1)c1ccc(C#N)cc1Cl ZINC000570235641 322268389 /nfs/dbraw/zinc/26/83/89/322268389.db2.gz LJVSWECJLVNXFR-OLZOCXBDSA-N 1 1 291.826 3.204 20 30 CGEDMO C[C@H]([NH2+]CCN1CC[C@@H](C)C1)c1ccc(C#N)cc1Cl ZINC000570235641 322268391 /nfs/dbraw/zinc/26/83/91/322268391.db2.gz LJVSWECJLVNXFR-OLZOCXBDSA-N 1 1 291.826 3.204 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](c3ccncc3)C2)c1F ZINC000571817476 322308533 /nfs/dbraw/zinc/30/85/33/322308533.db2.gz KBGPZVHSCGNEPA-OAHLLOKOSA-N 1 1 281.334 3.082 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2C2CCCCC2)nc1 ZINC000572942017 322362578 /nfs/dbraw/zinc/36/25/78/322362578.db2.gz JZMVNPUTQLXLNJ-QGZVFWFLSA-N 1 1 269.392 3.498 20 30 CGEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2c(n1)CCC2 ZINC000573566945 322394935 /nfs/dbraw/zinc/39/49/35/322394935.db2.gz IHNISNGQJDFYGS-UHFFFAOYSA-N 1 1 277.371 3.074 20 30 CGEDMO C[N@@H+](Cc1ccc2c(c1)OCCO2)CC(C)(C)CCC#N ZINC000535068544 328383582 /nfs/dbraw/zinc/38/35/82/328383582.db2.gz TZUSTVXUGQYLBL-UHFFFAOYSA-N 1 1 288.391 3.220 20 30 CGEDMO COc1ccccc1/C=C/C[N@H+](CCC#N)C(C)C ZINC000535077142 328384805 /nfs/dbraw/zinc/38/48/05/328384805.db2.gz RFOMVTQRMXBKOC-RMKNXTFCSA-N 1 1 258.365 3.332 20 30 CGEDMO COc1ccccc1/C=C/C[N@@H+](CCC#N)C(C)C ZINC000535077142 328384807 /nfs/dbraw/zinc/38/48/07/328384807.db2.gz RFOMVTQRMXBKOC-RMKNXTFCSA-N 1 1 258.365 3.332 20 30 CGEDMO CSC[C@H]1CCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000343591129 327033407 /nfs/dbraw/zinc/03/34/07/327033407.db2.gz YZEDGJKQKGBYSB-OAHLLOKOSA-N 1 1 260.406 3.080 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@]1(Cc1ccccc1)C(=O)OCC ZINC000558830951 327123550 /nfs/dbraw/zinc/12/35/50/327123550.db2.gz KCIBITNEHFENMM-SFHVURJKSA-N 1 1 287.403 3.203 20 30 CGEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2CCC[C@@H]2C)cc1 ZINC000076117661 327128887 /nfs/dbraw/zinc/12/88/87/327128887.db2.gz MEAROIUNYWUACF-HOTGVXAUSA-N 1 1 299.418 3.115 20 30 CGEDMO COc1ccc([C@H]2CC[N@@H+](CCCCC#N)C2)cc1 ZINC000102400566 327226891 /nfs/dbraw/zinc/22/68/91/327226891.db2.gz VQWBTKXKHRUEKV-HNNXBMFYSA-N 1 1 258.365 3.178 20 30 CGEDMO CCC[C@H]1[C@H](C)CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000578334744 327317587 /nfs/dbraw/zinc/31/75/87/327317587.db2.gz WUONBJYBYXIUHX-CJNGLKHVSA-N 1 1 257.381 3.354 20 30 CGEDMO COC(=O)C1([NH2+]CCCC(C)(C)C#N)CCCCCC1 ZINC000154786871 327387050 /nfs/dbraw/zinc/38/70/50/327387050.db2.gz ZTSFFWGIDFPHPC-UHFFFAOYSA-N 1 1 280.412 3.172 20 30 CGEDMO CC#CCC[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000155196530 327390016 /nfs/dbraw/zinc/39/00/16/327390016.db2.gz GXPZAVAGTNSPFI-GJZGRUSLSA-N 1 1 298.213 3.297 20 30 CGEDMO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H](C)C#N)c1 ZINC000357786409 328875858 /nfs/dbraw/zinc/87/58/58/328875858.db2.gz ARWSIRCVXCSYPS-ZDUSSCGKSA-N 1 1 296.374 3.153 20 30 CGEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000305100962 329004320 /nfs/dbraw/zinc/00/43/20/329004320.db2.gz XTTABPSQCAULJD-KSZLIROESA-N 1 1 284.403 3.085 20 30 CGEDMO C[C@H]1CSCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000179662859 329210873 /nfs/dbraw/zinc/21/08/73/329210873.db2.gz WFANZBWQQNAUBP-AWEZNQCLSA-N 1 1 290.432 3.306 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@H](C)c1nnc(-c2ccccc2)o1 ZINC000181244625 329227645 /nfs/dbraw/zinc/22/76/45/329227645.db2.gz QYEJWGUZCPPOBA-GFCCVEGCSA-N 1 1 257.337 3.306 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)c1nnc(-c2ccccc2)o1 ZINC000181244625 329227647 /nfs/dbraw/zinc/22/76/47/329227647.db2.gz QYEJWGUZCPPOBA-GFCCVEGCSA-N 1 1 257.337 3.306 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000181245994 329227870 /nfs/dbraw/zinc/22/78/70/329227870.db2.gz QTCYHKIYUJWHHR-KBPBESRZSA-N 1 1 292.448 3.308 20 30 CGEDMO C=C(C)C[N@@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC000181299986 329230227 /nfs/dbraw/zinc/23/02/27/329230227.db2.gz IDGIGBZKSLUTCI-LLVKDONJSA-N 1 1 296.798 3.184 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC000181299986 329230229 /nfs/dbraw/zinc/23/02/29/329230229.db2.gz IDGIGBZKSLUTCI-LLVKDONJSA-N 1 1 296.798 3.184 20 30 CGEDMO C[C@H]([NH2+]CCCC#N)c1ncc(-c2ccccc2)o1 ZINC000183122486 329244769 /nfs/dbraw/zinc/24/47/69/329244769.db2.gz SPGQIVAEDVKYMN-LBPRGKRZSA-N 1 1 255.321 3.296 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1cccc(OC(F)F)c1 ZINC000184086722 329255870 /nfs/dbraw/zinc/25/58/70/329255870.db2.gz IFMYUPOLWAYOCY-LLVKDONJSA-N 1 1 254.280 3.070 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1Cc1cc(OC)c(OC)cc1F ZINC000582909585 329287022 /nfs/dbraw/zinc/28/70/22/329287022.db2.gz YMXHUBPJBBRJEL-ZDUSSCGKSA-N 1 1 279.355 3.383 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(OC)c(OC)cc1F ZINC000582909585 329287023 /nfs/dbraw/zinc/28/70/23/329287023.db2.gz YMXHUBPJBBRJEL-ZDUSSCGKSA-N 1 1 279.355 3.383 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](CC(F)(F)F)C2)nc1 ZINC000582913376 329287786 /nfs/dbraw/zinc/28/77/86/329287786.db2.gz HCJZCYVCZNWKAQ-NSHDSACASA-N 1 1 283.297 3.118 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](CC(F)(F)F)C2)nc1 ZINC000582913376 329287787 /nfs/dbraw/zinc/28/77/87/329287787.db2.gz HCJZCYVCZNWKAQ-NSHDSACASA-N 1 1 283.297 3.118 20 30 CGEDMO C=C(C)C[N@@H+](C)Cc1nc2ccc(OC)cc2s1 ZINC000187461560 329357884 /nfs/dbraw/zinc/35/78/84/329357884.db2.gz WMJXEHHKNMOVRW-UHFFFAOYSA-N 1 1 262.378 3.313 20 30 CGEDMO C=C(C)C[N@H+](C)Cc1nc2ccc(OC)cc2s1 ZINC000187461560 329357885 /nfs/dbraw/zinc/35/78/85/329357885.db2.gz WMJXEHHKNMOVRW-UHFFFAOYSA-N 1 1 262.378 3.313 20 30 CGEDMO N#CC1(C[NH2+][C@@H](CC(F)F)c2ccccc2)CC1 ZINC000420996370 329796838 /nfs/dbraw/zinc/79/68/38/329796838.db2.gz QJZBZQDJZXASCF-LBPRGKRZSA-N 1 1 250.292 3.276 20 30 CGEDMO CC#CCC[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000274051487 330103274 /nfs/dbraw/zinc/10/32/74/330103274.db2.gz GLARLBQRICBQMI-UHFFFAOYSA-N 1 1 265.360 3.065 20 30 CGEDMO CC(C)[N@@H+](C)Cc1ccccc1CNC[C@H](C#N)CCC#N ZINC000572469997 330115095 /nfs/dbraw/zinc/11/50/95/330115095.db2.gz LBGHOBZPHBYHIX-INIZCTEOSA-N 1 1 298.434 3.060 20 30 CGEDMO C=CC[C@@H]1[N@H+](Cc2nc([C@H](C)OC)no2)CCCC1(C)C ZINC000277702386 330118231 /nfs/dbraw/zinc/11/82/31/330118231.db2.gz HVFJBBHUQZGKFW-STQMWFEESA-N 1 1 293.411 3.344 20 30 CGEDMO C=CC[C@@H]1[N@@H+](Cc2nc([C@H](C)OC)no2)CCCC1(C)C ZINC000277702386 330118233 /nfs/dbraw/zinc/11/82/33/330118233.db2.gz HVFJBBHUQZGKFW-STQMWFEESA-N 1 1 293.411 3.344 20 30 CGEDMO CC(C)c1ccc([C@H]([NH3+])CN[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000423234694 330180915 /nfs/dbraw/zinc/18/09/15/330180915.db2.gz FUBDKNHYYZUCHV-BMGDILEWSA-N 1 1 285.435 3.482 20 30 CGEDMO C=CCn1cc(C[NH2+][C@@H](CC)c2ccc(Cl)cc2)nn1 ZINC000424147566 330293957 /nfs/dbraw/zinc/29/39/57/330293957.db2.gz YGNDLZHLSZPVEA-HNNXBMFYSA-N 1 1 290.798 3.358 20 30 CGEDMO C=CC1CC[NH+](CC(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000532965563 330323395 /nfs/dbraw/zinc/32/33/95/330323395.db2.gz AUTFEIAGWZLYCO-UHFFFAOYSA-N 1 1 296.773 3.316 20 30 CGEDMO CN(CC[N@@H+](C)CC#Cc1ccc(F)cc1)c1ccccc1 ZINC000533325767 330357537 /nfs/dbraw/zinc/35/75/37/330357537.db2.gz PBBWDTMNRXDEHS-UHFFFAOYSA-N 1 1 296.389 3.245 20 30 CGEDMO C=CCC[C@@H]([NH2+]C1CCN(CCC)CC1)C1CC1 ZINC000119912101 330380142 /nfs/dbraw/zinc/38/01/42/330380142.db2.gz GWKHQKOONWVUEX-MRXNPFEDSA-N 1 1 250.430 3.195 20 30 CGEDMO C[N@@H+](CC#Cc1cccc(Cl)c1)[C@@H]1CCSC1 ZINC000089938929 330388810 /nfs/dbraw/zinc/38/88/10/330388810.db2.gz PGJFEKCCHSDWMI-CQSZACIVSA-N 1 1 265.809 3.129 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([NH2+][C@@H](CO)c2c(Cl)cccc2Cl)C1 ZINC000442881187 330790225 /nfs/dbraw/zinc/79/02/25/330790225.db2.gz ZBLQBHVAAWURCM-BREBYQMCSA-N 1 1 299.201 3.309 20 30 CGEDMO CC[C@@](C)(O)C[N@@H+](Cc1ccccc1)CC1(C#N)CCC1 ZINC000450829874 331001654 /nfs/dbraw/zinc/00/16/54/331001654.db2.gz QZRCKFFBSDDLHK-QGZVFWFLSA-N 1 1 286.419 3.343 20 30 CGEDMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2CC2(C#N)CCC2)C1 ZINC000450895836 331005599 /nfs/dbraw/zinc/00/55/99/331005599.db2.gz LZTQVYNYXDDETC-TWMKSMIVSA-N 1 1 290.451 3.332 20 30 CGEDMO CC(C)OC(=O)[C@@H]([NH2+]CCCCC(C)(C)C#N)C(C)C ZINC000451593506 331035357 /nfs/dbraw/zinc/03/53/57/331035357.db2.gz QHLRXJJRDVBHAX-AWEZNQCLSA-N 1 1 282.428 3.272 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1C ZINC000451994333 331049676 /nfs/dbraw/zinc/04/96/76/331049676.db2.gz PZVCFXJMWQNEAW-MRXNPFEDSA-N 1 1 263.356 3.474 20 30 CGEDMO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1nc(C(C)(C)C)no1 ZINC000194859309 331066310 /nfs/dbraw/zinc/06/63/10/331066310.db2.gz IFHUHVSGYUIHDL-SDDRHHMPSA-N 1 1 276.384 3.100 20 30 CGEDMO C=CC[C@H](C)[C@@H](C)[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000453298097 331112635 /nfs/dbraw/zinc/11/26/35/331112635.db2.gz ZYXIBWXFKAFNDY-RRFJBIMHSA-N 1 1 280.456 3.201 20 30 CGEDMO C=CCC1(C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)CCCCC1 ZINC000457098845 331212266 /nfs/dbraw/zinc/21/22/66/331212266.db2.gz UQMVKQXGPFZHJC-INIZCTEOSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CC[N@H+](CCOC)Cc1cc(Cl)c(O)c(OCC)c1 ZINC000459510175 331285435 /nfs/dbraw/zinc/28/54/35/331285435.db2.gz CIQXWELXTCOROC-UHFFFAOYSA-N 1 1 299.798 3.079 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+]1Cc2sccc2CC1(C)C ZINC000459576581 331288936 /nfs/dbraw/zinc/28/89/36/331288936.db2.gz GLDZXBYCFGCTTM-ZDUSSCGKSA-N 1 1 265.422 3.212 20 30 CGEDMO CCOC[C@H]1CCCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000459706029 331295171 /nfs/dbraw/zinc/29/51/71/331295171.db2.gz IOJNPAFWNPQBHG-QGZVFWFLSA-N 1 1 275.367 3.068 20 30 CGEDMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)CC1(C#N)CCC1 ZINC000459774128 331300081 /nfs/dbraw/zinc/30/00/81/331300081.db2.gz WHHABXTXVDEWMU-ZDUSSCGKSA-N 1 1 260.356 3.382 20 30 CGEDMO C=CC[C@H](C)[C@H](C)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000462876902 331333653 /nfs/dbraw/zinc/33/36/53/331333653.db2.gz YDZWDJNEKSURRJ-RLFYNMQTSA-N 1 1 288.435 3.266 20 30 CGEDMO CC[N@@H+](CC#Cc1ccccc1Cl)C[C@@H](C)OC ZINC000463415340 331347276 /nfs/dbraw/zinc/34/72/76/331347276.db2.gz PXVARVPYXRORAR-CYBMUJFWSA-N 1 1 265.784 3.048 20 30 CGEDMO CC#CC[N@@H+](CCc1ccc(C)cc1)C[C@H]1CCCO1 ZINC000464780613 331367790 /nfs/dbraw/zinc/36/77/90/331367790.db2.gz RNQRZZJPLUDFIJ-GOSISDBHSA-N 1 1 271.404 3.042 20 30 CGEDMO C=CCCCCC[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000489035401 332038592 /nfs/dbraw/zinc/03/85/92/332038592.db2.gz DBJFUVNETMIKMM-OLZOCXBDSA-N 1 1 279.346 3.368 20 30 CGEDMO C=C[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1cc(C)cc(C)c1 ZINC000489406108 332050566 /nfs/dbraw/zinc/05/05/66/332050566.db2.gz RHYZJBMEBBKRCS-DLBZAZTESA-N 1 1 289.419 3.084 20 30 CGEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccc(F)cc2)no1 ZINC000489444515 332053028 /nfs/dbraw/zinc/05/30/28/332053028.db2.gz KGFMMKFAUFPAPJ-CQSZACIVSA-N 1 1 287.338 3.416 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccc(F)cc2)no1 ZINC000489444515 332053029 /nfs/dbraw/zinc/05/30/29/332053029.db2.gz KGFMMKFAUFPAPJ-CQSZACIVSA-N 1 1 287.338 3.416 20 30 CGEDMO C=C[C@H]1CCCC[N@H+]1CCC(=O)N1CCc2ccccc2C1 ZINC000489482118 332055370 /nfs/dbraw/zinc/05/53/70/332055370.db2.gz CLVZPYALDCPJAE-SFHVURJKSA-N 1 1 298.430 3.002 20 30 CGEDMO C=CCC(C)(C)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000489860850 332070682 /nfs/dbraw/zinc/07/06/82/332070682.db2.gz QQOSQSBRAYZWKF-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C#C[C@@H]([NH2+]CC1=CCCOC1)c1ccc(Cl)cc1F ZINC000491506458 332225277 /nfs/dbraw/zinc/22/52/77/332225277.db2.gz QBJIAFAHYRYMIK-OAHLLOKOSA-N 1 1 279.742 3.090 20 30 CGEDMO C#C[C@H]([NH2+][C@@H]1CCSC1)c1ccc(Cl)cc1F ZINC000491741374 332320241 /nfs/dbraw/zinc/32/02/41/332320241.db2.gz ZDZQRZZRSABWBB-MFKMUULPSA-N 1 1 269.772 3.249 20 30 CGEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000491754883 332329731 /nfs/dbraw/zinc/32/97/31/332329731.db2.gz WFJOAFHWEXJQLW-HNNXBMFYSA-N 1 1 292.382 3.392 20 30 CGEDMO CC(C)C[C@@H](CO)[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000185332867 333138821 /nfs/dbraw/zinc/13/88/21/333138821.db2.gz BITZTDLLGJZOKT-INIZCTEOSA-N 1 1 279.811 3.030 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000185521186 333142892 /nfs/dbraw/zinc/14/28/92/333142892.db2.gz FJUJNAFFEYPXOO-HOTGVXAUSA-N 1 1 288.435 3.225 20 30 CGEDMO C[C@H](O)C[N@@H+](CC#Cc1ccccc1)C1CCCCC1 ZINC000191996886 333228244 /nfs/dbraw/zinc/22/82/44/333228244.db2.gz ZGTOOCNETFFOIF-INIZCTEOSA-N 1 1 271.404 3.054 20 30 CGEDMO C#CC[N@@H+](C)Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000192229044 333233178 /nfs/dbraw/zinc/23/31/78/333233178.db2.gz XJMMLBFNWUVUSV-UHFFFAOYSA-N 1 1 278.355 3.004 20 30 CGEDMO C#CC[N@H+](C)Cc1cccc(C(=O)Nc2ccccc2)c1 ZINC000192229044 333233179 /nfs/dbraw/zinc/23/31/79/333233179.db2.gz XJMMLBFNWUVUSV-UHFFFAOYSA-N 1 1 278.355 3.004 20 30 CGEDMO CCOC(=O)[C@H]1CCCC[N@@H+]1CCCCC(C)(C)C#N ZINC000233701972 333354690 /nfs/dbraw/zinc/35/46/90/333354690.db2.gz VINYPSFICSBDJV-CQSZACIVSA-N 1 1 280.412 3.124 20 30 CGEDMO CCOC(=O)[C@H]1CCCC[N@H+]1CCCCC(C)(C)C#N ZINC000233701972 333354692 /nfs/dbraw/zinc/35/46/92/333354692.db2.gz VINYPSFICSBDJV-CQSZACIVSA-N 1 1 280.412 3.124 20 30 CGEDMO CCCC(=O)Nc1cccc(C[NH2+]Cc2ccc(C#N)o2)c1 ZINC000174274390 335151894 /nfs/dbraw/zinc/15/18/94/335151894.db2.gz WZZXRMKLZFSGET-UHFFFAOYSA-N 1 1 297.358 3.180 20 30 CGEDMO COC(=O)[C@H]([NH2+]CCCC(C)(C)C#N)C1CCCCC1 ZINC000541688284 333786808 /nfs/dbraw/zinc/78/68/08/333786808.db2.gz WQIMGTBPCYYHBJ-CQSZACIVSA-N 1 1 280.412 3.028 20 30 CGEDMO COCC1CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000135074482 334114567 /nfs/dbraw/zinc/11/45/67/334114567.db2.gz RKXJXOVKBQQZRX-UHFFFAOYSA-N 1 1 277.795 3.050 20 30 CGEDMO N#CCCCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135229156 334120440 /nfs/dbraw/zinc/12/04/40/334120440.db2.gz PTESENJOJPYNMK-UHFFFAOYSA-N 1 1 273.336 3.253 20 30 CGEDMO CC[C@H]1COCC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000135234641 334120643 /nfs/dbraw/zinc/12/06/43/334120643.db2.gz DLJBZQNIUXUOBS-HNNXBMFYSA-N 1 1 272.392 3.099 20 30 CGEDMO CC[C@H]1COCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000135234641 334120644 /nfs/dbraw/zinc/12/06/44/334120644.db2.gz DLJBZQNIUXUOBS-HNNXBMFYSA-N 1 1 272.392 3.099 20 30 CGEDMO C=CCOCC[N@@H+]1CCC[C@H]1Cc1ccc(C)cc1 ZINC000549446240 334193969 /nfs/dbraw/zinc/19/39/69/334193969.db2.gz JSUNLRGEECVAEU-KRWDZBQOSA-N 1 1 259.393 3.205 20 30 CGEDMO C=CCOCC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000549709239 334202412 /nfs/dbraw/zinc/20/24/12/334202412.db2.gz VYETUVYYWJEMAN-KURKYZTESA-N 1 1 271.404 3.457 20 30 CGEDMO Clc1cccc(C#CC[N@H+]2CCC[C@@H]2[C@H]2CCCO2)c1 ZINC000551423608 334250113 /nfs/dbraw/zinc/25/01/13/334250113.db2.gz NVTGOTACZREBRM-IAGOWNOFSA-N 1 1 289.806 3.335 20 30 CGEDMO N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000576536791 335216911 /nfs/dbraw/zinc/21/69/11/335216911.db2.gz AQRPSAHCLRHWCV-SMDDNHRTSA-N 1 1 289.379 3.396 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000580571503 335285588 /nfs/dbraw/zinc/28/55/88/335285588.db2.gz LZWCHFZIACGUOC-OAHLLOKOSA-N 1 1 299.374 3.479 20 30 CGEDMO CC(C)n1ccc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)n1 ZINC000578054344 335472723 /nfs/dbraw/zinc/47/27/23/335472723.db2.gz SWXXWNDRPMFBQO-QGZVFWFLSA-N 1 1 280.375 3.113 20 30 CGEDMO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCCOc2c(F)cccc21 ZINC000581127322 336011876 /nfs/dbraw/zinc/01/18/76/336011876.db2.gz ZHDSZNSUNUECQQ-IUODEOHRSA-N 1 1 287.338 3.073 20 30 CGEDMO C=CCCCCC[NH2+][C@@H](c1ncc[nH]1)c1cccnc1 ZINC000581558417 336102787 /nfs/dbraw/zinc/10/27/87/336102787.db2.gz PLVCSPZSZXUCEP-OAHLLOKOSA-N 1 1 270.380 3.230 20 30 CGEDMO C[C@@H]1Cc2c([nH+]cn2Cc2cccc(C#N)c2F)C[C@@H]1C ZINC000386664838 336177111 /nfs/dbraw/zinc/17/71/11/336177111.db2.gz BATQGABDVQKVOX-NWDGAFQWSA-N 1 1 283.350 3.313 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)N(C)CC[C@H]1CCC[N@H+]1C ZINC000425530426 534078129 /nfs/dbraw/zinc/07/81/29/534078129.db2.gz FLZDGMBQFDGRSW-WMLDXEAASA-N 1 1 271.408 3.035 20 30 CGEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CCO[C@H](C)C1 ZINC000425367014 534082680 /nfs/dbraw/zinc/08/26/80/534082680.db2.gz RLHJRLRCSQEMPP-IJEWVQPXSA-N 1 1 272.392 3.366 20 30 CGEDMO C[C@@H](CNc1ncc(C#N)cc1F)[N@@H+](C)Cc1ccccc1 ZINC000413142971 534095712 /nfs/dbraw/zinc/09/57/12/534095712.db2.gz LBSVQQFMXZTLBJ-ZDUSSCGKSA-N 1 1 298.365 3.025 20 30 CGEDMO CCC[N@@H+](CCc1ccccn1)Cc1ccc(C#N)s1 ZINC000289862930 521672857 /nfs/dbraw/zinc/67/28/57/521672857.db2.gz QSKZJCUVWBADEW-UHFFFAOYSA-N 1 1 285.416 3.469 20 30 CGEDMO C[C@H](C[N@@H+](C)Cc1cc(C#N)ccc1F)c1nccs1 ZINC000183930281 524296662 /nfs/dbraw/zinc/29/66/62/524296662.db2.gz WOTSAJGQVOWUMH-LLVKDONJSA-N 1 1 289.379 3.389 20 30 CGEDMO Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000358555380 534851208 /nfs/dbraw/zinc/85/12/08/534851208.db2.gz ABKMIYSWTRTRJI-MNOVXSKESA-N 1 1 286.354 3.151 20 30 CGEDMO C=C(C)CC[N@H+](C)Cc1ccc(Br)o1 ZINC000352102342 526438889 /nfs/dbraw/zinc/43/88/89/526438889.db2.gz MBDAMHVWJNLNKN-UHFFFAOYSA-N 1 1 258.159 3.440 20 30 CGEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)Cc1cccc(F)c1 ZINC000352794529 526559887 /nfs/dbraw/zinc/55/98/87/526559887.db2.gz BIETYCCOIDZSPG-UHFFFAOYSA-N 1 1 289.350 3.489 20 30 CGEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)Cc1cccc(F)c1 ZINC000352794529 526559891 /nfs/dbraw/zinc/55/98/91/526559891.db2.gz BIETYCCOIDZSPG-UHFFFAOYSA-N 1 1 289.350 3.489 20 30 CGEDMO C=C(C)C[NH2+]Cc1c(F)cccc1Br ZINC000192850386 526624708 /nfs/dbraw/zinc/62/47/08/526624708.db2.gz DMRARWNHAMQYLN-UHFFFAOYSA-N 1 1 258.134 3.254 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2cc(F)ccc2F)c(F)c1 ZINC000111236443 526623505 /nfs/dbraw/zinc/62/35/05/526623505.db2.gz XGQBHAAMMJUWNC-UHFFFAOYSA-N 1 1 276.261 3.265 20 30 CGEDMO N#Cc1cccc(OCCC[N@H+]2CCC3(CCC3)C2)c1 ZINC000156703072 526726370 /nfs/dbraw/zinc/72/63/70/526726370.db2.gz XJYIFVTWLLODHP-UHFFFAOYSA-N 1 1 270.376 3.203 20 30 CGEDMO C=C1CC[NH+](Cc2cnc(C)n2-c2ccccc2)CC1 ZINC000353329659 526905026 /nfs/dbraw/zinc/90/50/26/526905026.db2.gz MGRYAURCTMKRHA-UHFFFAOYSA-N 1 1 267.376 3.333 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000354727605 526985445 /nfs/dbraw/zinc/98/54/45/526985445.db2.gz KGSRFIRVOYCUOM-HNNXBMFYSA-N 1 1 264.413 3.207 20 30 CGEDMO C=CCCC1(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000354597299 527087443 /nfs/dbraw/zinc/08/74/43/527087443.db2.gz OGNCDAIJLAOWMW-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO C=CCCC1(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000353689254 527088454 /nfs/dbraw/zinc/08/84/54/527088454.db2.gz YXNVOEGMHFCDJJ-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCCC[N@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000344581673 527196077 /nfs/dbraw/zinc/19/60/77/527196077.db2.gz UBVPCHJXKUYVGA-QGZVFWFLSA-N 1 1 259.393 3.325 20 30 CGEDMO C=CCCC[C@H](C)[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000352560436 527273452 /nfs/dbraw/zinc/27/34/52/527273452.db2.gz FMLYEJLNXQYABK-AWEZNQCLSA-N 1 1 259.397 3.254 20 30 CGEDMO C=CCC[C@@H](C)[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000192923701 527425862 /nfs/dbraw/zinc/42/58/62/527425862.db2.gz OSAFPNKLKFZYMM-AEFFLSMTSA-N 1 1 272.436 3.453 20 30 CGEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H](O)CC12CCC2 ZINC000334988306 527499113 /nfs/dbraw/zinc/49/91/13/527499113.db2.gz RGAGBDGRDUGODT-MRXNPFEDSA-N 1 1 298.430 3.367 20 30 CGEDMO CCCCC[N@@H+](CCO)Cc1ccc(C#N)cc1Cl ZINC000439431765 528179196 /nfs/dbraw/zinc/17/91/96/528179196.db2.gz RHICLHXCMZOJFI-UHFFFAOYSA-N 1 1 280.799 3.196 20 30 CGEDMO CC[N@@H+](CCC1CC1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000355034337 528427935 /nfs/dbraw/zinc/42/79/35/528427935.db2.gz DBPCYWXJEOJPOH-UHFFFAOYSA-N 1 1 296.374 3.230 20 30 CGEDMO CCCCOC1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000428219287 528571978 /nfs/dbraw/zinc/57/19/78/528571978.db2.gz DYVCHJFFDXAMOJ-UHFFFAOYSA-N 1 1 290.382 3.478 20 30 CGEDMO CC[N@@H+](Cc1cccc(F)c1C#N)[C@@H]1CCOC(C)(C)C1 ZINC000428940010 528812544 /nfs/dbraw/zinc/81/25/44/528812544.db2.gz BKLMEXVAMQAPSX-CQSZACIVSA-N 1 1 290.382 3.477 20 30 CGEDMO CC[C@H]1[C@H](C)CC[N@H+]1CCOc1ccccc1C#N ZINC000360478197 529341771 /nfs/dbraw/zinc/34/17/71/529341771.db2.gz OAMWITBMBPZWTA-HIFRSBDPSA-N 1 1 258.365 3.057 20 30 CGEDMO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(OCC#N)cc2)on1 ZINC000731211640 572402318 /nfs/dbraw/zinc/40/23/18/572402318.db2.gz RUIHKEJODQRXIE-MRXNPFEDSA-N 1 1 297.358 3.223 20 30 CGEDMO CCOc1ccccc1C[NH2+]Cc1cc(C#N)ccc1F ZINC000742381663 572572703 /nfs/dbraw/zinc/57/27/03/572572703.db2.gz BPOGHXDAEJGZCI-UHFFFAOYSA-N 1 1 284.334 3.386 20 30 CGEDMO C=CC[N@@H+](Cn1ccc(-c2ccc(C#N)cc2)n1)C(C)C ZINC000744141196 572713113 /nfs/dbraw/zinc/71/31/13/572713113.db2.gz IYNRZOCRZKWGKI-UHFFFAOYSA-N 1 1 280.375 3.276 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](C(=O)NCCCCCC)C1 ZINC000735490099 572726030 /nfs/dbraw/zinc/72/60/30/572726030.db2.gz DPFAYZFYZKUHHY-MRXNPFEDSA-N 1 1 280.456 3.361 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(c2ccc(C)cc2)CC1 ZINC000735491036 572726552 /nfs/dbraw/zinc/72/65/52/572726552.db2.gz AXGRDQQSNCNNNU-UHFFFAOYSA-N 1 1 258.409 3.473 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccc(F)c(Br)c1 ZINC000746134063 572856250 /nfs/dbraw/zinc/85/62/50/572856250.db2.gz OUNASFAVOKRBEU-UHFFFAOYSA-N 1 1 270.145 3.043 20 30 CGEDMO C#CC[N@H+](CCOC)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000746156834 572857580 /nfs/dbraw/zinc/85/75/80/572857580.db2.gz PEOJTZOFKDHGJS-LBPRGKRZSA-N 1 1 285.309 3.348 20 30 CGEDMO CCn1c(C[NH2+]Cc2cc(C#N)cs2)nc2ccccc21 ZINC000748099246 572960099 /nfs/dbraw/zinc/96/00/99/572960099.db2.gz KFXMAQFLJWPYFB-UHFFFAOYSA-N 1 1 296.399 3.279 20 30 CGEDMO C=CC[N@H+](CN1C(=O)C(C)(C)[C@H]1c1ccccc1)C(C)C ZINC000749943289 573064199 /nfs/dbraw/zinc/06/41/99/573064199.db2.gz GCFGQYNLXJUIHE-MRXNPFEDSA-N 1 1 286.419 3.450 20 30 CGEDMO C=CC[N@@H+](CN1C(=O)C(C)(C)[C@H]1c1ccccc1)C(C)C ZINC000749943289 573064209 /nfs/dbraw/zinc/06/42/09/573064209.db2.gz GCFGQYNLXJUIHE-MRXNPFEDSA-N 1 1 286.419 3.450 20 30 CGEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CCCC)[C@@H](C)C2)cc1 ZINC000947611011 613185453 /nfs/dbraw/zinc/18/54/53/613185453.db2.gz FBBFOXZGBGXXPM-MAUKXSAKSA-N 1 1 298.430 3.051 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(C(=O)C2CCCCCC2)CC1 ZINC000980822130 613251908 /nfs/dbraw/zinc/25/19/08/613251908.db2.gz IRQODNZPAXJJOB-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)C[C@@H]2CC[C@@H](C)C2)CC1 ZINC000981783060 613252012 /nfs/dbraw/zinc/25/20/12/613252012.db2.gz DVIRMVWKCWZUGN-IAGOWNOFSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)[C@H](C)C(C)(C)C)CC1 ZINC000981450929 613254518 /nfs/dbraw/zinc/25/45/18/613254518.db2.gz OHLFMCKJEZYREZ-HNNXBMFYSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](N(C)C(=O)C2CC(C)C2)CC1 ZINC000948286274 613256179 /nfs/dbraw/zinc/25/61/79/613256179.db2.gz PHZYXFFWYZAQJH-JCYILVPMSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CC)CC2)C1 ZINC000961296126 613256423 /nfs/dbraw/zinc/25/64/23/613256423.db2.gz DDQRMXBZCVTHSU-KRWDZBQOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2(C)CCCC2)C1 ZINC000967525022 613264528 /nfs/dbraw/zinc/26/45/28/613264528.db2.gz LYFZXBZVZITKLF-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cccs2)C1 ZINC000964809322 613269773 /nfs/dbraw/zinc/26/97/73/613269773.db2.gz WDBNEUSBRPKSQR-UONOGXRCSA-N 1 1 292.448 3.155 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccsc2)C1 ZINC000964933854 613269987 /nfs/dbraw/zinc/26/99/87/613269987.db2.gz IZYXOGJWLJGNTC-DZGCQCFKSA-N 1 1 292.448 3.155 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2CCCCC2)C1 ZINC000964748002 613270085 /nfs/dbraw/zinc/27/00/85/613270085.db2.gz WYJDJPLAHNCRNK-DOTOQJQBSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2(C)CCC2)C[C@@H]1C ZINC000947619169 613270377 /nfs/dbraw/zinc/27/03/77/613270377.db2.gz FTPNFCNNJYLARZ-GJZGRUSLSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)CC(C)C)C[C@@]2(C)C1 ZINC000982193998 613275950 /nfs/dbraw/zinc/27/59/50/613275950.db2.gz ZOTHJSNYLLBAJB-HDICACEKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H](NC(=O)C[C@@H]2C=CCC2)C(C)(C)C1 ZINC000972795332 613276617 /nfs/dbraw/zinc/27/66/17/613276617.db2.gz AXAPIXGNBMRGIA-CVEARBPZSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC000971531998 613284611 /nfs/dbraw/zinc/28/46/11/613284611.db2.gz MXPMGMQVOVPVLI-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)CC2CCCC2)C1 ZINC000972472883 613290382 /nfs/dbraw/zinc/29/03/82/613290382.db2.gz QVGCCKBNAYCPFS-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)c2ccoc2C(C)C)C1 ZINC000980513962 613291484 /nfs/dbraw/zinc/29/14/84/613291484.db2.gz BIGKHQUCIGGLCL-AWEZNQCLSA-N 1 1 290.407 3.125 20 30 CGEDMO C=C(C)C[N@H+]1CCCC2(CN(C(=O)C(C)(C)C(=C)C)C2)C1 ZINC000981927735 613305062 /nfs/dbraw/zinc/30/50/62/613305062.db2.gz JYJNCELZHGZFJD-UHFFFAOYSA-N 1 1 290.451 3.089 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC1(C)C ZINC000968994648 613306374 /nfs/dbraw/zinc/30/63/74/613306374.db2.gz XEVMJWWYZWDOBJ-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CCCCC[C@H]1CNC(=O)c1ccoc1C ZINC000968741691 613307338 /nfs/dbraw/zinc/30/73/38/613307338.db2.gz XHFCOTLONMFOCM-HNNXBMFYSA-N 1 1 290.407 3.139 20 30 CGEDMO C=C(C)C[N@H+]1CCCN(C(=O)c2sc(C)cc2C)CC1 ZINC000981251200 613313734 /nfs/dbraw/zinc/31/37/34/613313734.db2.gz SYSMTTGBOMATIH-UHFFFAOYSA-N 1 1 292.448 3.089 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)c2ccsc2)CC1 ZINC000948169934 613314940 /nfs/dbraw/zinc/31/49/40/613314940.db2.gz VIWDCQCCXBQLHH-HNNXBMFYSA-N 1 1 292.448 3.251 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C2(C)CCCCC2)C1 ZINC000968188891 613325127 /nfs/dbraw/zinc/32/51/27/613325127.db2.gz DVOPCJXDNRFXNC-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2CCC(=C)CC2)[C@H](C)C1 ZINC000942601092 613327314 /nfs/dbraw/zinc/32/73/14/613327314.db2.gz ZQBNIGJFBIMYMR-NVXWUHKLSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccsc2)C(C)(C)C1 ZINC000940557154 613330619 /nfs/dbraw/zinc/33/06/19/613330619.db2.gz HUWVADYZJWGTAM-CQSZACIVSA-N 1 1 292.448 3.155 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2cc(C)cs2)C1 ZINC000966001255 613333710 /nfs/dbraw/zinc/33/37/10/613333710.db2.gz YJOCUBIFDXZXEN-UONOGXRCSA-N 1 1 292.448 3.073 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)c(C)o2)C[C@@H]1C ZINC000947200971 613335897 /nfs/dbraw/zinc/33/58/97/613335897.db2.gz UMWISIJXSSULIE-ZFWWWQNUSA-N 1 1 290.407 3.055 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc(C)cc2)[C@H](C)C1 ZINC000944264183 613336001 /nfs/dbraw/zinc/33/60/01/613336001.db2.gz NCPBTDMOAJXYEY-WBVHZDCISA-N 1 1 286.419 3.011 20 30 CGEDMO C=C(Cl)C(C)(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)CC1CC1 ZINC000960646609 613367575 /nfs/dbraw/zinc/36/75/75/613367575.db2.gz DBJBKFUFPXDGQH-CQSZACIVSA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)CC2=CCCCC2)C1 ZINC000971214395 613368222 /nfs/dbraw/zinc/36/82/22/613368222.db2.gz QYNKTTRVZZWCQO-OAHLLOKOSA-N 1 1 296.842 3.162 20 30 CGEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)CC2=CCCCC2)C1 ZINC000971214395 613368223 /nfs/dbraw/zinc/36/82/23/613368223.db2.gz QYNKTTRVZZWCQO-OAHLLOKOSA-N 1 1 296.842 3.162 20 30 CGEDMO C=C1CC(C)(C(=O)N(C)[C@H]2CCC[N@H+](CCCC)CC2)C1 ZINC000948758075 613393141 /nfs/dbraw/zinc/39/31/41/613393141.db2.gz AIAIONMZFXVNFU-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C1CC(C)(C(=O)N2CCC[C@@H]2C[N@@H+](C)CC2CCC2)C1 ZINC000960845599 613393501 /nfs/dbraw/zinc/39/35/01/613393501.db2.gz GJZFLFDVBPEDQZ-MRXNPFEDSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2C[N@H+](CC=C(C)C)CC[C@H]2C)C1 ZINC000968276147 613401523 /nfs/dbraw/zinc/40/15/23/613401523.db2.gz VDQYGIDAAUVAJS-CVEARBPZSA-N 1 1 290.451 3.136 20 30 CGEDMO C=C1CCC(C(=O)N[C@H]2C[N@@H+](CCCC)CC[C@H]2C)CC1 ZINC000968215073 613412867 /nfs/dbraw/zinc/41/28/67/613412867.db2.gz VTIMMWKVJIIDAQ-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]2C[N@@H+](CCCC)C[C@H]2CC1 ZINC000946707513 613437935 /nfs/dbraw/zinc/43/79/35/613437935.db2.gz UYKBQKIFWLPMIX-IYBDPMFKSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)C2CCCCCCC2)C1 ZINC000950838946 613476727 /nfs/dbraw/zinc/47/67/27/613476727.db2.gz KBXGCAFHRBXBPT-UHFFFAOYSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCC[NH+]1CC(N(CC)C(=O)C2CC(C(C)(C)C)C2)C1 ZINC000957445810 613477018 /nfs/dbraw/zinc/47/70/18/613477018.db2.gz WNQQWNSLKIDUPG-UHFFFAOYSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCC[N@@H+]1CCCC2(CN(C(=O)C(C)(C)C(C)C)C2)C1 ZINC000981791705 613488290 /nfs/dbraw/zinc/48/82/90/613488290.db2.gz WGTAQOAGZGQBDG-UHFFFAOYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@H+]1CCCN(C(=O)CC2CCCCCC2)CC1 ZINC000982038619 613492571 /nfs/dbraw/zinc/49/25/71/613492571.db2.gz MUZDOZBSBVIKLA-UHFFFAOYSA-N 1 1 292.467 3.457 20 30 CGEDMO C=CCC[N@@H+]1CCCN(C(=O)c2cc(C)sc2C)CC1 ZINC000981570520 613496392 /nfs/dbraw/zinc/49/63/92/613496392.db2.gz UEEUUTWVRYFKDK-UHFFFAOYSA-N 1 1 292.448 3.089 20 30 CGEDMO C=Cc1ccc(C(=O)N2CC[C@H]([N@@H+](C)CC(=C)C)C2)cc1 ZINC000972405099 613512094 /nfs/dbraw/zinc/51/20/94/613512094.db2.gz IPDFBPGPHXCLJR-KRWDZBQOSA-N 1 1 284.403 3.052 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccccc2C)[C@@H](C)C1 ZINC000941767545 613524611 /nfs/dbraw/zinc/52/46/11/613524611.db2.gz GVJYHBFVUIXOTL-DOTOQJQBSA-N 1 1 286.419 3.011 20 30 CGEDMO C=CCC[N@H+]1CC[C@H](NC(=O)CC2CC(C)(C)C2)[C@H](C)C1 ZINC000942577770 613535044 /nfs/dbraw/zinc/53/50/44/613535044.db2.gz OXLJTFZMQQOYCP-ZBFHGGJFSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2sccc2C)C[C@@H]1C ZINC000946997281 613542522 /nfs/dbraw/zinc/54/25/22/613542522.db2.gz UMDOEZWLDWFJMD-KBPBESRZSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CCC[N@H+]1C[C@H](NC(=O)C2CCCCCC2)C(C)(C)C1 ZINC000972852070 613554141 /nfs/dbraw/zinc/55/41/41/613554141.db2.gz LZLUJCXEMIETCR-INIZCTEOSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCN(C(=O)CC2CCCCCC2)C1 ZINC000972432661 613611542 /nfs/dbraw/zinc/61/15/42/613611542.db2.gz BYEUMAZEISIEFS-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C1C(C)(C)C1(C)C ZINC000968804450 613683442 /nfs/dbraw/zinc/68/34/42/613683442.db2.gz UWVFADVQLYMDIW-CQSZACIVSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)c1ccc(C)s1 ZINC000968729563 613686829 /nfs/dbraw/zinc/68/68/29/613686829.db2.gz JJSFRPNWMCKTGA-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)c2c(C)oc3ccccc32)CC1 ZINC000981232999 613695501 /nfs/dbraw/zinc/69/55/01/613695501.db2.gz KMKDOMIECBLNNF-UHFFFAOYSA-N 1 1 298.386 3.075 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](N(C)C(=O)C23CCC(CC2)C3)CC1 ZINC000948554642 613700247 /nfs/dbraw/zinc/70/02/47/613700247.db2.gz YEBYMHVJAZCXDP-UPTPFMHGSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2coc3ccccc23)C1 ZINC000968702443 613736266 /nfs/dbraw/zinc/73/62/66/613736266.db2.gz MKHIKHXZDXNPSR-CZUORRHYSA-N 1 1 298.386 3.059 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)sc2C)C[C@@H]1C ZINC000947515641 613750310 /nfs/dbraw/zinc/75/03/10/613750310.db2.gz MPFZEWLORVVBEU-SMDDNHRTSA-N 1 1 292.448 3.134 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc(Cl)s2)[C@H](C)C1 ZINC000944653097 613752738 /nfs/dbraw/zinc/75/27/38/613752738.db2.gz KQTZAMUUEXKPNB-GHMZBOCLSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C=C)cc2)C(C)(C)C1 ZINC000941052242 613752780 /nfs/dbraw/zinc/75/27/80/613752780.db2.gz OKBSGLCZUDFXMP-QGZVFWFLSA-N 1 1 298.430 3.346 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cscc2Cl)C1 ZINC000966888756 613770918 /nfs/dbraw/zinc/77/09/18/613770918.db2.gz ULLIKJSEZTWATH-GWCFXTLKSA-N 1 1 298.839 3.028 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)C[C@H]2CC=CCC2)C(C)(C)C1 ZINC000940950461 613781429 /nfs/dbraw/zinc/78/14/29/613781429.db2.gz NSKVLMDJFWPURG-HOTGVXAUSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[C@H]1CCN1C(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000890549587 617634567 /nfs/dbraw/zinc/63/45/67/617634567.db2.gz BHRAPZVWIHXBBK-ROUUACIJSA-N 1 1 298.430 3.286 20 30 CGEDMO C=C(C)CNN=C1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000811651288 617661070 /nfs/dbraw/zinc/66/10/70/617661070.db2.gz PJFGSODRYBQFCY-OAHLLOKOSA-N 1 1 271.408 3.050 20 30 CGEDMO C=C(C)CNN=C1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000811651288 617661074 /nfs/dbraw/zinc/66/10/74/617661074.db2.gz PJFGSODRYBQFCY-OAHLLOKOSA-N 1 1 271.408 3.050 20 30 CGEDMO C=C1CC(C)(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(C)C)C1 ZINC001021374238 617972381 /nfs/dbraw/zinc/97/23/81/617972381.db2.gz ZYWNTQDPJOSTHV-MQVJKMGUSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CCC2)C1 ZINC001021493311 618012763 /nfs/dbraw/zinc/01/27/63/618012763.db2.gz QWVCIBNJFWEMFH-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC(C)C)C1 ZINC001021505105 618015025 /nfs/dbraw/zinc/01/50/25/618015025.db2.gz IMVQHIHJRUCHQI-CABCVRRESA-N 1 1 298.858 3.098 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC(C)C)C1 ZINC001021505105 618015030 /nfs/dbraw/zinc/01/50/30/618015030.db2.gz IMVQHIHJRUCHQI-CABCVRRESA-N 1 1 298.858 3.098 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CCCCC2)C1 ZINC001021504864 618015573 /nfs/dbraw/zinc/01/55/73/618015573.db2.gz GCMJURDDHQGUGQ-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(CC)CC)C1 ZINC001021523557 618021531 /nfs/dbraw/zinc/02/15/31/618021531.db2.gz OAJRRUSDTKQVDE-SJORKVTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC(C)(C)CC(=O)Nc1cccnc1-n1cc[nH+]c1C ZINC000900255074 620775162 /nfs/dbraw/zinc/77/51/62/620775162.db2.gz BGDQVEIYBXFWET-UHFFFAOYSA-N 1 1 284.363 3.117 20 30 CGEDMO CC(C)C[N@H+](CCC#N)C[C@@H]1C[C@@]1(C)Br ZINC000891464986 618228339 /nfs/dbraw/zinc/22/83/39/618228339.db2.gz MSGPPBOTAIHZOU-NWDGAFQWSA-N 1 1 273.218 3.032 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)C[C@@H]1C[C@@]1(C)Br ZINC000891464986 618228340 /nfs/dbraw/zinc/22/83/40/618228340.db2.gz MSGPPBOTAIHZOU-NWDGAFQWSA-N 1 1 273.218 3.032 20 30 CGEDMO C[N@@H+](Cc1csc(C#N)c1)C[C@@H]1OCCc2ccccc21 ZINC000891783290 618293183 /nfs/dbraw/zinc/29/31/83/618293183.db2.gz CRWFAFVNFTYZMC-KRWDZBQOSA-N 1 1 298.411 3.366 20 30 CGEDMO C[N@H+](Cc1csc(C#N)c1)C[C@@H]1OCCc2ccccc21 ZINC000891783290 618293194 /nfs/dbraw/zinc/29/31/94/618293194.db2.gz CRWFAFVNFTYZMC-KRWDZBQOSA-N 1 1 298.411 3.366 20 30 CGEDMO Cc1cc(C#N)nc(N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000891897355 618370857 /nfs/dbraw/zinc/37/08/57/618370857.db2.gz GBNQAWZGUHJUMA-HLLBOEOZSA-N 1 1 298.434 3.103 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000892068689 618516741 /nfs/dbraw/zinc/51/67/41/618516741.db2.gz BNVYFIRHYJPIQY-HUUCEWRRSA-N 1 1 285.403 3.298 20 30 CGEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000934353178 618604355 /nfs/dbraw/zinc/60/43/55/618604355.db2.gz LWCIMIFTLFCSEZ-BETUJISGSA-N 1 1 290.794 3.474 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1nnc(-c2ccccc2)s1 ZINC000934460387 618622896 /nfs/dbraw/zinc/62/28/96/618622896.db2.gz HUDDPEPHQXETRG-CYBMUJFWSA-N 1 1 271.389 3.356 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1nnc(-c2ccccc2)s1 ZINC000934460387 618622899 /nfs/dbraw/zinc/62/28/99/618622899.db2.gz HUDDPEPHQXETRG-CYBMUJFWSA-N 1 1 271.389 3.356 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1ccn(CCc2ccccc2)n1 ZINC000934460511 618623312 /nfs/dbraw/zinc/62/33/12/618623312.db2.gz PXEOYLYWVYAIAB-GOSISDBHSA-N 1 1 281.403 3.276 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1ccn(CCc2ccccc2)n1 ZINC000934460511 618623314 /nfs/dbraw/zinc/62/33/14/618623314.db2.gz PXEOYLYWVYAIAB-GOSISDBHSA-N 1 1 281.403 3.276 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1Cc1cnc(-c2ccccc2)o1 ZINC000934461592 618624477 /nfs/dbraw/zinc/62/44/77/618624477.db2.gz YXVCQGIZXDXBRX-AWEZNQCLSA-N 1 1 254.333 3.492 20 30 CGEDMO C=CC[C@@H]1CC[N@H+]1Cc1ccn(-c2ccccc2F)n1 ZINC000934461699 618624651 /nfs/dbraw/zinc/62/46/51/618624651.db2.gz OIURPBLXCNYNPL-CQSZACIVSA-N 1 1 271.339 3.162 20 30 CGEDMO C=CC[C@@H]1CC[N@@H+]1Cc1ccn(-c2ccccc2F)n1 ZINC000934461699 618624653 /nfs/dbraw/zinc/62/46/53/618624653.db2.gz OIURPBLXCNYNPL-CQSZACIVSA-N 1 1 271.339 3.162 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1CC(=O)Nc1cc(Cl)ccc1C ZINC000934466634 618626273 /nfs/dbraw/zinc/62/62/73/618626273.db2.gz UQXRSJBXQKRKKS-ZDUSSCGKSA-N 1 1 278.783 3.237 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1C ZINC000934466634 618626275 /nfs/dbraw/zinc/62/62/75/618626275.db2.gz UQXRSJBXQKRKKS-ZDUSSCGKSA-N 1 1 278.783 3.237 20 30 CGEDMO C=CC[C@H]1CC[N@H+]1CC(=O)Nc1ccccc1C(C)C ZINC000934471256 618627713 /nfs/dbraw/zinc/62/77/13/618627713.db2.gz IHZXFANMLVGJHU-AWEZNQCLSA-N 1 1 272.392 3.399 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1CC(=O)Nc1ccccc1C(C)C ZINC000934471256 618627715 /nfs/dbraw/zinc/62/77/15/618627715.db2.gz IHZXFANMLVGJHU-AWEZNQCLSA-N 1 1 272.392 3.399 20 30 CGEDMO C=CC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1cc(C)ccc1C ZINC000934472487 618628722 /nfs/dbraw/zinc/62/87/22/618628722.db2.gz RNJQKKFAVFNZRJ-GJZGRUSLSA-N 1 1 272.392 3.281 20 30 CGEDMO N#CC1CCC(C[N@H+]2CCCC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000934830624 618700262 /nfs/dbraw/zinc/70/02/62/618700262.db2.gz GFCFSZNNPAAFJX-FOIPXRHGSA-N 1 1 290.451 3.455 20 30 CGEDMO c1ccc([C@@H]2CC(=NNC3CC3)CC[N@H+]2C2CC2)cc1 ZINC000841631266 618704754 /nfs/dbraw/zinc/70/47/54/618704754.db2.gz FMALGHZNOAMVSB-KRWDZBQOSA-N 1 1 269.392 3.094 20 30 CGEDMO C#CC[N@H+](C)CCCN[C@@H](CCC)c1ncccc1Cl ZINC000926490255 618710205 /nfs/dbraw/zinc/71/02/05/618710205.db2.gz MEBJRHTWOXDRGK-HNNXBMFYSA-N 1 1 293.842 3.121 20 30 CGEDMO C#CCN(C)CCC[NH2+][C@@H](CCC)c1ncccc1Cl ZINC000926490255 618710206 /nfs/dbraw/zinc/71/02/06/618710206.db2.gz MEBJRHTWOXDRGK-HNNXBMFYSA-N 1 1 293.842 3.121 20 30 CGEDMO CC(C)CC(N)=[NH+]OCc1ncc(-c2ccccc2F)o1 ZINC000154514913 618828410 /nfs/dbraw/zinc/82/84/10/618828410.db2.gz XDTFJLNUQNMDNY-UHFFFAOYSA-N 1 1 291.326 3.316 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CC2=CCCCC2)C1 ZINC001006925858 618868468 /nfs/dbraw/zinc/86/84/68/618868468.db2.gz CBYAPVNQYHMTOP-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO CCOCOc1ccc(C[N@H+](CC)C[C@H](C)C#N)cc1 ZINC000783424630 618910936 /nfs/dbraw/zinc/91/09/36/618910936.db2.gz PMKYVDAQNXLJOS-CQSZACIVSA-N 1 1 276.380 3.041 20 30 CGEDMO CCOCOc1ccc(C[N@@H+](CC)C[C@H](C)C#N)cc1 ZINC000783424630 618910938 /nfs/dbraw/zinc/91/09/38/618910938.db2.gz PMKYVDAQNXLJOS-CQSZACIVSA-N 1 1 276.380 3.041 20 30 CGEDMO COc1ccc(C[NH2+][C@H](CCC#N)c2ccccc2)o1 ZINC000893195109 619024914 /nfs/dbraw/zinc/02/49/14/619024914.db2.gz SISBTHYSGQJQLO-OAHLLOKOSA-N 1 1 270.332 3.423 20 30 CGEDMO C[C@H]1CC2(C[N@H+]1CC1CCC(C#N)CC1)CCOCC2 ZINC000930823638 619080029 /nfs/dbraw/zinc/08/00/29/619080029.db2.gz QTDBXOVQUQYRFC-FHERZECASA-N 1 1 276.424 3.207 20 30 CGEDMO N#CCC[C@@H]([NH2+]Cc1ccc(F)nc1)c1ccccc1 ZINC000189165861 619089921 /nfs/dbraw/zinc/08/99/21/619089921.db2.gz VUUYTWQOYDKBSZ-OAHLLOKOSA-N 1 1 269.323 3.355 20 30 CGEDMO Oc1ccccc1/C=N/C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195162779 619147147 /nfs/dbraw/zinc/14/71/47/619147147.db2.gz QPEPDESWRFVTTE-UOBPLZBXSA-N 1 1 294.398 3.333 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)C23CCC(CC2)CC3)C1 ZINC001009609045 619181902 /nfs/dbraw/zinc/18/19/02/619181902.db2.gz IICZQZDFLIUOES-UPTPFMHGSA-N 1 1 290.451 3.114 20 30 CGEDMO Cc1ccccc1C[C@H](C)[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000618551701 619259288 /nfs/dbraw/zinc/25/92/88/619259288.db2.gz LKVSVYLCFCFLDX-HNNXBMFYSA-N 1 1 279.387 3.325 20 30 CGEDMO C#CC[N@@H+](Cc1[nH]nc(C)c1C)[C@@H]1CCc2ccccc21 ZINC000893867014 619324570 /nfs/dbraw/zinc/32/45/70/619324570.db2.gz SEARMHODFMBXTA-GOSISDBHSA-N 1 1 279.387 3.149 20 30 CGEDMO C#CC[N@H+](Cc1[nH]nc(C)c1C)[C@@H]1CCc2ccccc21 ZINC000893867014 619324572 /nfs/dbraw/zinc/32/45/72/619324572.db2.gz SEARMHODFMBXTA-GOSISDBHSA-N 1 1 279.387 3.149 20 30 CGEDMO Cc1ncoc1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000893945994 619338001 /nfs/dbraw/zinc/33/80/01/619338001.db2.gz TWXBJNIKQUHGTL-UHFFFAOYSA-N 1 1 269.348 3.265 20 30 CGEDMO C=CCCCCC[N@H+](C)Cc1c2c(nn1C)CCSC2 ZINC000894033238 619352705 /nfs/dbraw/zinc/35/27/05/619352705.db2.gz CDQUXPQFYPWLNK-UHFFFAOYSA-N 1 1 293.480 3.388 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@@H](CCC(=O)OC)C1 ZINC000880042458 619527986 /nfs/dbraw/zinc/52/79/86/619527986.db2.gz ARVDARNRZBINMO-AWEZNQCLSA-N 1 1 253.386 3.008 20 30 CGEDMO C#C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000894551933 619574540 /nfs/dbraw/zinc/57/45/40/619574540.db2.gz BOMHOQZCXZYDGO-HMQMGEFJSA-N 1 1 288.822 3.229 20 30 CGEDMO CCOC[C@H]1CCCC[N@H+]1Cc1csc(C#N)c1 ZINC000894856920 619654873 /nfs/dbraw/zinc/65/48/73/619654873.db2.gz QPVJRQOXLHUTGD-CYBMUJFWSA-N 1 1 264.394 3.011 20 30 CGEDMO C[N@H+](Cc1cccc2c1NCCC2)CC(C)(C)C#N ZINC000894857322 619655349 /nfs/dbraw/zinc/65/53/49/619655349.db2.gz DBNXKAICCPSQNM-UHFFFAOYSA-N 1 1 257.381 3.026 20 30 CGEDMO C[N@@H+](Cc1cccc2c1NCCC2)CC(C)(C)C#N ZINC000894857322 619655351 /nfs/dbraw/zinc/65/53/51/619655351.db2.gz DBNXKAICCPSQNM-UHFFFAOYSA-N 1 1 257.381 3.026 20 30 CGEDMO CSCc1ccc(C[NH2+]CC2(C#N)CCC2)cc1 ZINC000894967801 619689074 /nfs/dbraw/zinc/68/90/74/619689074.db2.gz WCWQCIRWLVQMQY-UHFFFAOYSA-N 1 1 260.406 3.333 20 30 CGEDMO CC(C)(C)c1noc(CO[NH+]=C(N)C2CCCCCC2)n1 ZINC000179003941 619733925 /nfs/dbraw/zinc/73/39/25/619733925.db2.gz XNYBSEHWMFWJFR-UHFFFAOYSA-N 1 1 294.399 3.126 20 30 CGEDMO Cc1noc2ncc(C[NH2+]CC3(C#N)CCCCC3)cc12 ZINC000895278732 619794432 /nfs/dbraw/zinc/79/44/32/619794432.db2.gz BNXMJKHSLMSCRH-UHFFFAOYSA-N 1 1 284.363 3.095 20 30 CGEDMO Cc1cc(C[NH2+]CC2(C#N)CCCCC2)cnc1F ZINC000895403529 619823966 /nfs/dbraw/zinc/82/39/66/619823966.db2.gz MUCJBPIEOKTHDK-UHFFFAOYSA-N 1 1 261.344 3.093 20 30 CGEDMO C=CCN(Cc1cccs1)C(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000895483087 619838116 /nfs/dbraw/zinc/83/81/16/619838116.db2.gz KHORQWJOQOHKTQ-CQSZACIVSA-N 1 1 292.448 3.136 20 30 CGEDMO C=CCN(Cc1cccs1)C(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000895483085 619838435 /nfs/dbraw/zinc/83/84/35/619838435.db2.gz KHORQWJOQOHKTQ-AWEZNQCLSA-N 1 1 292.448 3.136 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cnc(CC(F)(F)F)s2)C1 ZINC000895563263 619850945 /nfs/dbraw/zinc/85/09/45/619850945.db2.gz YIJGJOGYXBVNOF-SNVBAGLBSA-N 1 1 288.338 3.093 20 30 CGEDMO C=C(C)COc1cc(C[N@H+]2CC[C@H](CF)C2)ccc1OC ZINC000895572404 619851781 /nfs/dbraw/zinc/85/17/81/619851781.db2.gz CWPVTPVETXDOPC-OAHLLOKOSA-N 1 1 293.382 3.442 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CC[C@H](c2nccs2)C1 ZINC000895582596 619856403 /nfs/dbraw/zinc/85/64/03/619856403.db2.gz IKUAOYLCNMAHMB-LBPRGKRZSA-N 1 1 263.410 3.262 20 30 CGEDMO COc1ccc(C[C@H](C)C[N@H+]2CCC[C@@H](C#N)C2)cc1F ZINC000896506637 620018968 /nfs/dbraw/zinc/01/89/68/620018968.db2.gz VCRDSVKKXWRXLP-ZFWWWQNUSA-N 1 1 290.382 3.248 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)CC2CCCCC2)CC1 ZINC000985248934 620142915 /nfs/dbraw/zinc/14/29/15/620142915.db2.gz YTEMRRAGOCZCJW-UHFFFAOYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)C(C)=C2CCCC2)CC1 ZINC000985367027 620177712 /nfs/dbraw/zinc/17/77/12/620177712.db2.gz ATMCUGSWPFVHDB-UHFFFAOYSA-N 1 1 290.451 3.376 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H](C)C(C)(C)C)CC1 ZINC000985495838 620200348 /nfs/dbraw/zinc/20/03/48/620200348.db2.gz OKIUNHWAVVMWKB-CQSZACIVSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)[C@@]2(C)CCC[C@@H]2CC)CC1 ZINC000985495734 620200437 /nfs/dbraw/zinc/20/04/37/620200437.db2.gz LYEIQKGARJQIJX-YJBOKZPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000985616775 620222539 /nfs/dbraw/zinc/22/25/39/620222539.db2.gz ZWGSKGMLEBINBN-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)c2cccc(C)c2C)CC1 ZINC000985774654 620238199 /nfs/dbraw/zinc/23/81/99/620238199.db2.gz VIBFGDUEXUMZEO-UHFFFAOYSA-N 1 1 286.419 3.026 20 30 CGEDMO C=CC[N@H+](C)C1CCN(C(=O)c2sccc2CC)CC1 ZINC000985801476 620240111 /nfs/dbraw/zinc/24/01/11/620240111.db2.gz BCKDCXHJVAIPSA-UHFFFAOYSA-N 1 1 292.448 3.033 20 30 CGEDMO Cc1nn(C)c(C[NH2+][C@@H](C)c2ccc(C#N)cc2)c1Cl ZINC000089231932 620279736 /nfs/dbraw/zinc/27/97/36/620279736.db2.gz FGVFHSMALQPXQV-JTQLQIEISA-N 1 1 288.782 3.104 20 30 CGEDMO CC[C@H]1C[C@H](C[N@@H+](C)Cc2cc(C#N)cs2)CCO1 ZINC000897626154 620412717 /nfs/dbraw/zinc/41/27/17/620412717.db2.gz UIVYVANAPNCJQD-OCCSQVGLSA-N 1 1 278.421 3.257 20 30 CGEDMO C=C(C)C[N@@H+]1CCCN(C(=O)C[C@H]2CCCC[C@H]2C)CC1 ZINC000989772744 620524052 /nfs/dbraw/zinc/52/40/52/620524052.db2.gz ISOFYEJCBAOCIY-IAGOWNOFSA-N 1 1 292.467 3.313 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)C3CCCC3)CCC[C@H]12 ZINC000989897450 620530213 /nfs/dbraw/zinc/53/02/13/620530213.db2.gz TUKNHFOPCJEVBY-GOEBONIOSA-N 1 1 296.842 3.042 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)C3CCCC3)CCC[C@H]12 ZINC000989897450 620530215 /nfs/dbraw/zinc/53/02/15/620530215.db2.gz TUKNHFOPCJEVBY-GOEBONIOSA-N 1 1 296.842 3.042 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)C[C@@H]3C=CCC3)CCC[C@@H]12 ZINC000989942753 620533015 /nfs/dbraw/zinc/53/30/15/620533015.db2.gz LWNTUHBIZSDWOZ-JFIYKMOQSA-N 1 1 288.435 3.032 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2sccc2Cl)C1 ZINC001014524250 620539739 /nfs/dbraw/zinc/53/97/39/620539739.db2.gz RLAMPQXDJVKUNO-LLVKDONJSA-N 1 1 298.839 3.172 20 30 CGEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NCc1ccc(C#N)cc1 ZINC000237520655 620984805 /nfs/dbraw/zinc/98/48/05/620984805.db2.gz PQXMOOQYNMYPPW-XHSDSOJGSA-N 1 1 285.435 3.014 20 30 CGEDMO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+]Cc1ccc(C#N)cc1 ZINC000237520655 620984815 /nfs/dbraw/zinc/98/48/15/620984815.db2.gz PQXMOOQYNMYPPW-XHSDSOJGSA-N 1 1 285.435 3.014 20 30 CGEDMO N#Cc1cc(Cl)cc(CO[NH+]=C(N)C2CCC2)c1 ZINC000902613405 621385238 /nfs/dbraw/zinc/38/52/38/621385238.db2.gz NMGUNGTTYRPPFB-UHFFFAOYSA-N 1 1 263.728 3.010 20 30 CGEDMO C[C@@H]([NH2+]CC1(C#N)CCC1)c1ccc(F)cc1N(C)C ZINC000903030419 621534986 /nfs/dbraw/zinc/53/49/86/621534986.db2.gz AQFSZSRNXHYAFQ-GFCCVEGCSA-N 1 1 275.371 3.236 20 30 CGEDMO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC1(C#N)CCC1 ZINC000903031997 621535333 /nfs/dbraw/zinc/53/53/33/621535333.db2.gz OKKNFERQWZNOLA-HNNXBMFYSA-N 1 1 270.376 3.492 20 30 CGEDMO COc1c(C)cccc1C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903043098 621540227 /nfs/dbraw/zinc/54/02/27/621540227.db2.gz PKXIGTOANDRXOB-ZDUSSCGKSA-N 1 1 281.359 3.121 20 30 CGEDMO COc1cc([C@@H](C)[NH2+]CC(C)(C)C#N)ccc1OC(F)F ZINC000903100258 621572784 /nfs/dbraw/zinc/57/27/84/621572784.db2.gz LOIIIKPRIJZPTP-SNVBAGLBSA-N 1 1 298.333 3.497 20 30 CGEDMO C[C@H]([NH2+]CC(C)(C)C#N)c1ccc(Br)nc1 ZINC000903101798 621574450 /nfs/dbraw/zinc/57/44/50/621574450.db2.gz MQELTHFBOCUSIZ-VIFPVBQESA-N 1 1 282.185 3.044 20 30 CGEDMO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CC1(C#N)CC1 ZINC000903106344 621579801 /nfs/dbraw/zinc/57/98/01/621579801.db2.gz OALPDZOGOAWXCT-CQSZACIVSA-N 1 1 256.349 3.102 20 30 CGEDMO COc1cc([C@@H](C)[NH2+]CC2(C#N)CC2)ccc1SC ZINC000903107025 621580860 /nfs/dbraw/zinc/58/08/60/621580860.db2.gz ZMOXUMKXHYABPI-LLVKDONJSA-N 1 1 276.405 3.371 20 30 CGEDMO C[C@H]([NH2+]CC1(C#N)CCCC1)c1ccc2c(c1)OCO2 ZINC000903107667 621581973 /nfs/dbraw/zinc/58/19/73/621581973.db2.gz AWQYKPRJDRVMFR-LBPRGKRZSA-N 1 1 272.348 3.150 20 30 CGEDMO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2c3ccccc3OC[C@H]2F)C1 ZINC000903270411 621656302 /nfs/dbraw/zinc/65/63/02/621656302.db2.gz DLBPPMBQSCZKDD-FAXLKDOZSA-N 1 1 274.339 3.130 20 30 CGEDMO CCCCCCCC[N@@H+]1CCNCCC12CCOCC2 ZINC000903813810 621814608 /nfs/dbraw/zinc/81/46/08/621814608.db2.gz IQRLMVJBGUPMLF-UHFFFAOYSA-N 1 1 282.472 3.191 20 30 CGEDMO CCCCCCCC[N@H+]1CCNCCC12CCOCC2 ZINC000903813810 621814610 /nfs/dbraw/zinc/81/46/10/621814610.db2.gz IQRLMVJBGUPMLF-UHFFFAOYSA-N 1 1 282.472 3.191 20 30 CGEDMO C=CCCC[C@H]([NH3+])c1nc(-c2cc(F)cc(F)c2)no1 ZINC000904545975 621933151 /nfs/dbraw/zinc/93/31/51/621933151.db2.gz MCSKZRLRWZTPLN-LBPRGKRZSA-N 1 1 279.290 3.371 20 30 CGEDMO COCCc1cc[nH+]c(NCc2c(C)cc(C#N)cc2C)c1 ZINC000905412822 622069691 /nfs/dbraw/zinc/06/96/91/622069691.db2.gz GSGNNLJXYWIYAU-UHFFFAOYSA-N 1 1 295.386 3.371 20 30 CGEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H](C)C3CCC3)CCC[C@@H]12 ZINC000991360161 622570505 /nfs/dbraw/zinc/57/05/05/622570505.db2.gz MSAWKZSRZQIHNG-YXJHDRRASA-N 1 1 290.451 3.112 20 30 CGEDMO C[N@@H+](CCC1CCCCC1)C[C@H](O)c1ccc(C#N)cc1 ZINC000156003847 622595619 /nfs/dbraw/zinc/59/56/19/622595619.db2.gz GPXOFOZAJASLMZ-SFHVURJKSA-N 1 1 286.419 3.494 20 30 CGEDMO C=CCc1cc(OC)cc(C[N@H+](C)CCCC)c1O ZINC000163910618 622807091 /nfs/dbraw/zinc/80/70/91/622807091.db2.gz UYKMIRGILNZWGL-UHFFFAOYSA-N 1 1 263.381 3.361 20 30 CGEDMO Cc1ccc(NCc2ccc(O[C@H](C)C#N)cc2)[nH+]c1 ZINC000157451987 622906543 /nfs/dbraw/zinc/90/65/43/622906543.db2.gz JYKRMMXRAHYMMZ-CYBMUJFWSA-N 1 1 267.332 3.293 20 30 CGEDMO C#CC[N@H+](CCCSC)Cc1ccc(F)cc1 ZINC000157834614 622966486 /nfs/dbraw/zinc/96/64/86/622966486.db2.gz RNIDCUXHJKLUPE-UHFFFAOYSA-N 1 1 251.370 3.014 20 30 CGEDMO CCCCCCCC[N@@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000158151614 623010932 /nfs/dbraw/zinc/01/09/32/623010932.db2.gz LVHDJHOYKYNIIA-ZIAGYGMSSA-N 1 1 277.474 3.100 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000172653922 623269399 /nfs/dbraw/zinc/26/93/99/623269399.db2.gz NLOJEMFUCNSSOD-AWEZNQCLSA-N 1 1 255.402 3.042 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](O)c1cccc(Cl)c1 ZINC000075749983 623340593 /nfs/dbraw/zinc/34/05/93/623340593.db2.gz IUAXRNBAZFDCJQ-CQSZACIVSA-N 1 1 253.773 3.271 20 30 CGEDMO CC[C@@H]1CC[C@H](C)[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000312573376 623538375 /nfs/dbraw/zinc/53/83/75/623538375.db2.gz LWWOZDAICBYSDK-VBQJREDUSA-N 1 1 272.392 3.102 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)[C@H](C)c3ccccc3)CCC[C@@H]12 ZINC000992438953 623562916 /nfs/dbraw/zinc/56/29/16/623562916.db2.gz MQVLUYWMXZJLSQ-SUMDDJOVSA-N 1 1 298.430 3.089 20 30 CGEDMO C=CC[N@H+]1CC[C@]2(NC(=O)C3CCC=CCC3)CCC[C@H]12 ZINC000992492829 623602684 /nfs/dbraw/zinc/60/26/84/623602684.db2.gz HYECTCIPIUZTQE-FUHWJXTLSA-N 1 1 288.435 3.032 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2C)[C@H]1C ZINC000992982099 623768856 /nfs/dbraw/zinc/76/88/56/623768856.db2.gz MGJUFYUWDLNBEX-ZIAGYGMSSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccccc2C)[C@@H]1C ZINC000992988635 623772125 /nfs/dbraw/zinc/77/21/25/623772125.db2.gz DNTGPXAPIFLXST-RDJZCZTQSA-N 1 1 286.419 3.154 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C)[C@@H]1C ZINC000992988633 623774125 /nfs/dbraw/zinc/77/41/25/623774125.db2.gz DNTGPXAPIFLXST-DOTOQJQBSA-N 1 1 286.419 3.154 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cl)o2)[C@@H]1C ZINC000993036728 623800448 /nfs/dbraw/zinc/80/04/48/623800448.db2.gz LTYRHVVYXZASRE-RYUDHWBXSA-N 1 1 296.798 3.092 20 30 CGEDMO Cc1nc(C[NH2+]Cc2c(C)cc(C#N)cc2C)cs1 ZINC000921561477 625684070 /nfs/dbraw/zinc/68/40/70/625684070.db2.gz GPWJOFKQOMBKBK-UHFFFAOYSA-N 1 1 271.389 3.230 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccoc2CC)[C@@H]1C ZINC000993267066 623997800 /nfs/dbraw/zinc/99/78/00/623997800.db2.gz NSGZWJGCTUDDDL-ZFWWWQNUSA-N 1 1 290.407 3.001 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2c(C)coc2C)[C@@H]1C ZINC000993278551 623997850 /nfs/dbraw/zinc/99/78/50/623997850.db2.gz JIKCCROAXGIVGI-ZFWWWQNUSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C2=CCCCCC2)[C@H]1C ZINC000993303481 624002662 /nfs/dbraw/zinc/00/26/62/624002662.db2.gz PYORQFLJNZCUJB-NVXWUHKLSA-N 1 1 290.451 3.422 20 30 CGEDMO CCCCCCCCC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000915634456 624014481 /nfs/dbraw/zinc/01/44/81/624014481.db2.gz YPMMOGWLDRCFHV-HOTGVXAUSA-N 1 1 280.456 3.480 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C2(C)CCC2)[C@H]1C ZINC000993679551 624057464 /nfs/dbraw/zinc/05/74/64/624057464.db2.gz XQCVLOUAFGWLSJ-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C2CC2)[C@H]1C ZINC000993713165 624058850 /nfs/dbraw/zinc/05/88/50/624058850.db2.gz CEIHUBRSLZEMDA-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+](CCC)[C@H]2C)CC1 ZINC000993771886 624062171 /nfs/dbraw/zinc/06/21/71/624062171.db2.gz HTWCCDSKONZQGQ-GOEBONIOSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cl)cc2)[C@H]1C ZINC000994256695 624158414 /nfs/dbraw/zinc/15/84/14/624158414.db2.gz DGFOQXLEWMOCSV-DOMZBBRYSA-N 1 1 292.810 3.109 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](NC(=O)c2ccc(Cl)s2)[C@@H]1C ZINC000994354106 624205459 /nfs/dbraw/zinc/20/54/59/624205459.db2.gz UXFCFRCIBRMLDU-QWRGUYRKSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cl)s2)[C@@H]1C ZINC000994354106 624205462 /nfs/dbraw/zinc/20/54/62/624205462.db2.gz UXFCFRCIBRMLDU-QWRGUYRKSA-N 1 1 298.839 3.170 20 30 CGEDMO C=CC[N@H+](CC(=O)N1CCSc2ccccc21)C(C)C ZINC000917069785 624234241 /nfs/dbraw/zinc/23/42/41/624234241.db2.gz VRGOJZBSFKHDHM-UHFFFAOYSA-N 1 1 290.432 3.022 20 30 CGEDMO C=CC[N@@H+](CC(=O)N1CCSc2ccccc21)C(C)C ZINC000917069785 624234244 /nfs/dbraw/zinc/23/42/44/624234244.db2.gz VRGOJZBSFKHDHM-UHFFFAOYSA-N 1 1 290.432 3.022 20 30 CGEDMO C=CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1OC)C(C)C ZINC000917069894 624234298 /nfs/dbraw/zinc/23/42/98/624234298.db2.gz ZQBKEMOZSWEUKS-UHFFFAOYSA-N 1 1 296.798 3.184 20 30 CGEDMO C=CC[N@H+](CC(=O)Nc1cc(Cl)ccc1OC)C(C)C ZINC000917069894 624234302 /nfs/dbraw/zinc/23/43/02/624234302.db2.gz ZQBKEMOZSWEUKS-UHFFFAOYSA-N 1 1 296.798 3.184 20 30 CGEDMO Cc1cc(C#N)cc(C)c1Cn1c[nH+]c2c1CCCC2 ZINC000917784440 624311046 /nfs/dbraw/zinc/31/10/46/624311046.db2.gz OFRFWGDMIHDAPJ-UHFFFAOYSA-N 1 1 265.360 3.299 20 30 CGEDMO NC(=[NH+]OCc1ncc(-c2cccs2)o1)C1CCCC1 ZINC000175582481 624649135 /nfs/dbraw/zinc/64/91/35/624649135.db2.gz YAXHOQSGWOFTTO-UHFFFAOYSA-N 1 1 291.376 3.382 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000181316593 624845163 /nfs/dbraw/zinc/84/51/63/624845163.db2.gz BIYJEUKXKFILDQ-AWEZNQCLSA-N 1 1 282.428 3.141 20 30 CGEDMO CC(C)CNN=C1C[C@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000767386792 624864862 /nfs/dbraw/zinc/86/48/62/624864862.db2.gz VNDMDYOYZNBZOK-HNNXBMFYSA-N 1 1 273.424 3.130 20 30 CGEDMO CC(C)CNN=C1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000767386792 624864865 /nfs/dbraw/zinc/86/48/65/624864865.db2.gz VNDMDYOYZNBZOK-HNNXBMFYSA-N 1 1 273.424 3.130 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)Cc2ccncc2)cc1 ZINC000183746469 625122848 /nfs/dbraw/zinc/12/28/48/625122848.db2.gz SCYLWPYEWLBYQH-AWEZNQCLSA-N 1 1 281.359 3.004 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](N(CC)C(=O)C2CCC2)CC1 ZINC000997903205 625764934 /nfs/dbraw/zinc/76/49/34/625764934.db2.gz WMPPNERDVOXYLW-OAHLLOKOSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)c2cccc(C)c2)CC1 ZINC001000408418 625872047 /nfs/dbraw/zinc/87/20/47/625872047.db2.gz MTFYETHOLYXJLG-UHFFFAOYSA-N 1 1 298.430 3.323 20 30 CGEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)c2ccc(C)cc2)CC1 ZINC001001398439 625895346 /nfs/dbraw/zinc/89/53/46/625895346.db2.gz YUQSPKMVKDWFBF-UHFFFAOYSA-N 1 1 298.430 3.323 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CCC[C@@H]2CC)CC1 ZINC001003573011 625983503 /nfs/dbraw/zinc/98/35/03/625983503.db2.gz JZAKBKSQZWEMNL-ZFWWWQNUSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CCOc1cccc(C[NH2+][C@@H](c2ncccn2)C2CC2)c1 ZINC000922583804 626016162 /nfs/dbraw/zinc/01/61/62/626016162.db2.gz WQNYUNUJGQWVCE-QGZVFWFLSA-N 1 1 295.386 3.282 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C2CC2)CC1 ZINC001004318326 626036269 /nfs/dbraw/zinc/03/62/69/626036269.db2.gz LNEWKJHOSMWPKC-KRWDZBQOSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CCC)CC1 ZINC001004335171 626040274 /nfs/dbraw/zinc/04/02/74/626040274.db2.gz MHAOAONETHOPRM-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC2(C)CC2)CC1 ZINC001004492403 626063662 /nfs/dbraw/zinc/06/36/62/626063662.db2.gz ZXJSQQOIBBOVTM-INIZCTEOSA-N 1 1 290.451 3.066 20 30 CGEDMO C#CC[N@@H+](Cc1cc(C)nnc1C)[C@H]1CCc2ccccc21 ZINC000929332984 626082708 /nfs/dbraw/zinc/08/27/08/626082708.db2.gz DZMTZGLHXQXWMJ-IBGZPJMESA-N 1 1 291.398 3.216 20 30 CGEDMO C#CC[N@H+](Cc1cc(C)nnc1C)[C@H]1CCc2ccccc21 ZINC000929332984 626082711 /nfs/dbraw/zinc/08/27/11/626082711.db2.gz DZMTZGLHXQXWMJ-IBGZPJMESA-N 1 1 291.398 3.216 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[C@]2(C)CC)CC1 ZINC001006227435 626172767 /nfs/dbraw/zinc/17/27/67/626172767.db2.gz SQVDUIPTUAXAHO-HOCLYGCPSA-N 1 1 298.858 3.098 20 30 CGEDMO C[C@H]1CC(N=Nc2cccc3cnccc32)C[N@H+]1C1CC1 ZINC000753959873 626470046 /nfs/dbraw/zinc/47/00/46/626470046.db2.gz MUQZXWVZUVXNKX-LBPRGKRZSA-N 1 1 280.375 3.259 20 30 CGEDMO C=CCc1cc(C[N@H+]2CCCSCC2)c(O)c(OC)c1 ZINC000754727037 626585143 /nfs/dbraw/zinc/58/51/43/626585143.db2.gz GZBDRSBQUXRZDW-UHFFFAOYSA-N 1 1 293.432 3.068 20 30 CGEDMO CCOC(=O)/C=C\C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000756094306 626676462 /nfs/dbraw/zinc/67/64/62/626676462.db2.gz RDCSTTULJFOIMJ-AFNCTOJWSA-N 1 1 286.375 3.060 20 30 CGEDMO C#CC[C@@H]([NH2+]Cc1cn2cccc(F)c2n1)c1ccccc1 ZINC000756996156 626745980 /nfs/dbraw/zinc/74/59/80/626745980.db2.gz OUHRIWHPGJAJQO-QGZVFWFLSA-N 1 1 293.345 3.328 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC000757111362 626755293 /nfs/dbraw/zinc/75/52/93/626755293.db2.gz WFJDTVZDLWNUDI-UONOGXRCSA-N 1 1 282.428 3.188 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC000839679049 626777726 /nfs/dbraw/zinc/77/77/26/626777726.db2.gz LGMLOEHKIOSIHR-QGZVFWFLSA-N 1 1 294.439 3.428 20 30 CGEDMO N#CCC[N@@H+](C[C@@H](O)c1ccc(Cl)c(F)c1)CC1CC1 ZINC000759849834 626926626 /nfs/dbraw/zinc/92/66/26/626926626.db2.gz AXHADXXXTKCLKO-OAHLLOKOSA-N 1 1 296.773 3.138 20 30 CGEDMO N#CCC[N@H+](C[C@@H](O)c1ccc(Cl)c(F)c1)CC1CC1 ZINC000759849834 626926630 /nfs/dbraw/zinc/92/66/30/626926630.db2.gz AXHADXXXTKCLKO-OAHLLOKOSA-N 1 1 296.773 3.138 20 30 CGEDMO C#CCC[N@@H+](C)CCCOc1ccc(Cl)cc1 ZINC000760816558 626993025 /nfs/dbraw/zinc/99/30/25/626993025.db2.gz GXAFIDOUELLIPJ-UHFFFAOYSA-N 1 1 251.757 3.064 20 30 CGEDMO C#CCC[N@H+](Cc1cc(OC)ccc1OC)C(C)(C)C ZINC000760846414 626996599 /nfs/dbraw/zinc/99/65/99/626996599.db2.gz FINAVSVMOUGHBG-UHFFFAOYSA-N 1 1 275.392 3.328 20 30 CGEDMO C=CCCCCCCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000805217975 627012027 /nfs/dbraw/zinc/01/20/27/627012027.db2.gz OLLBMJJXKQKTIR-OAHLLOKOSA-N 1 1 266.429 3.114 20 30 CGEDMO N#Cc1cccc([C@@H]2C[N@H+](CCc3cccs3)CCO2)c1 ZINC000761761335 627059004 /nfs/dbraw/zinc/05/90/04/627059004.db2.gz DJRXCKMYCJKNQK-KRWDZBQOSA-N 1 1 298.411 3.236 20 30 CGEDMO N#Cc1cccc([C@@H]2C[N@@H+](CCc3cccs3)CCO2)c1 ZINC000761761335 627059008 /nfs/dbraw/zinc/05/90/08/627059008.db2.gz DJRXCKMYCJKNQK-KRWDZBQOSA-N 1 1 298.411 3.236 20 30 CGEDMO C[C@H]1CC(N=Nc2ccnc3cc(Cl)ccc23)C[N@H+]1C ZINC000761794948 627061698 /nfs/dbraw/zinc/06/16/98/627061698.db2.gz UEEKSCRRLYFGRQ-JTQLQIEISA-N 1 1 288.782 3.380 20 30 CGEDMO CC[C@H](CC#N)[NH2+]Cc1ccccc1N1CCCCC1 ZINC000762793176 627124257 /nfs/dbraw/zinc/12/42/57/627124257.db2.gz DHRWPAJDIDJVQA-MRXNPFEDSA-N 1 1 271.408 3.459 20 30 CGEDMO C=CC[N@H+](Cn1ncc(Br)c1C1CC1)C(C)C ZINC000764898366 627232289 /nfs/dbraw/zinc/23/22/89/627232289.db2.gz FHRORXHTUKYDAW-UHFFFAOYSA-N 1 1 298.228 3.377 20 30 CGEDMO C=CC[N@@H+](Cn1ncc(Br)c1C1CC1)C(C)C ZINC000764898366 627232292 /nfs/dbraw/zinc/23/22/92/627232292.db2.gz FHRORXHTUKYDAW-UHFFFAOYSA-N 1 1 298.228 3.377 20 30 CGEDMO Cc1c(Cl)cccc1N=NC1CC[N@H+]2CCC[C@H]12 ZINC000765572918 627260490 /nfs/dbraw/zinc/26/04/90/627260490.db2.gz FVBJVLZJNHSVLA-CQSZACIVSA-N 1 1 263.772 3.284 20 30 CGEDMO C#CCCC[N@H+](Cc1cc(OC)ccc1OC)C1CC1 ZINC000766896738 627368352 /nfs/dbraw/zinc/36/83/52/627368352.db2.gz RVDJWIOAAQNYLA-UHFFFAOYSA-N 1 1 273.376 3.082 20 30 CGEDMO C#CCCC[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000766905518 627369451 /nfs/dbraw/zinc/36/94/51/627369451.db2.gz HFWYCHOIMUIYCH-CQSZACIVSA-N 1 1 268.360 3.421 20 30 CGEDMO CC/C=C\CC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000767333549 627399058 /nfs/dbraw/zinc/39/90/58/627399058.db2.gz VEFXORNTFZTWDY-CWIOURORSA-N 1 1 270.376 3.288 20 30 CGEDMO CC/C=C\CC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000767333549 627399063 /nfs/dbraw/zinc/39/90/63/627399063.db2.gz VEFXORNTFZTWDY-CWIOURORSA-N 1 1 270.376 3.288 20 30 CGEDMO C=CC[N@@H+](CCC(=O)C1CC1)Cc1ccccc1F ZINC000767363178 627401839 /nfs/dbraw/zinc/40/18/39/627401839.db2.gz HSOLATFEJXONLO-UHFFFAOYSA-N 1 1 261.340 3.183 20 30 CGEDMO C=CC[N@H+](CCC(=O)C1CC1)Cc1ccccc1F ZINC000767363178 627401841 /nfs/dbraw/zinc/40/18/41/627401841.db2.gz HSOLATFEJXONLO-UHFFFAOYSA-N 1 1 261.340 3.183 20 30 CGEDMO C[N@@H+](CCCOc1ccc(C#N)cc1)CCOC(C)(C)C ZINC000767905532 627442684 /nfs/dbraw/zinc/44/26/84/627442684.db2.gz PHMYMLGCLILLAB-UHFFFAOYSA-N 1 1 290.407 3.074 20 30 CGEDMO C#C[C@@H](CC)OC(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC000768041622 627452087 /nfs/dbraw/zinc/45/20/87/627452087.db2.gz MLQGYFSKXFOOFG-HOTGVXAUSA-N 1 1 273.376 3.025 20 30 CGEDMO C[C@H](C#N)C[N@H+](Cc1cc2c(cc1O)CCCC2)C1CC1 ZINC000768462488 627481447 /nfs/dbraw/zinc/48/14/47/627481447.db2.gz LYBIPVYAQIASGE-CYBMUJFWSA-N 1 1 284.403 3.395 20 30 CGEDMO C[C@H](C#N)C[N@@H+](Cc1cc2c(cc1O)CCCC2)C1CC1 ZINC000768462488 627481451 /nfs/dbraw/zinc/48/14/51/627481451.db2.gz LYBIPVYAQIASGE-CYBMUJFWSA-N 1 1 284.403 3.395 20 30 CGEDMO C#CCOc1ccccc1C[N@H+]1CCC[C@H]1c1cc(C)no1 ZINC000768877671 627505423 /nfs/dbraw/zinc/50/54/23/627505423.db2.gz JDHHGXVQBACDBS-INIZCTEOSA-N 1 1 296.370 3.332 20 30 CGEDMO C#CCOc1ccccc1C[N@@H+]1CCC[C@H]1c1cc(C)no1 ZINC000768877671 627505424 /nfs/dbraw/zinc/50/54/24/627505424.db2.gz JDHHGXVQBACDBS-INIZCTEOSA-N 1 1 296.370 3.332 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cc(C)ccc1O ZINC000769145107 627525457 /nfs/dbraw/zinc/52/54/57/627525457.db2.gz BNVZMLYNKJBXNK-UHFFFAOYSA-N 1 1 283.346 3.475 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C(=O)OCC)o1)C1CCCCC1 ZINC000769146070 627525912 /nfs/dbraw/zinc/52/59/12/627525912.db2.gz NJVMIFKWNASYGU-UHFFFAOYSA-N 1 1 289.375 3.224 20 30 CGEDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000769471935 627557006 /nfs/dbraw/zinc/55/70/06/627557006.db2.gz ZEJGKEZNELUKKV-CABCVRRESA-N 1 1 271.408 3.267 20 30 CGEDMO C#CC[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)C1CCCC1 ZINC000769529412 627563092 /nfs/dbraw/zinc/56/30/92/627563092.db2.gz JCIROXUJQJBQFH-UHFFFAOYSA-N 1 1 279.387 3.455 20 30 CGEDMO C[C@@H](C#N)C[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)C1CC1 ZINC000769545247 627564581 /nfs/dbraw/zinc/56/45/81/627564581.db2.gz NDEKEMKTTNHXPA-UONOGXRCSA-N 1 1 283.375 3.102 20 30 CGEDMO C[C@@H](C#N)C[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)C1CC1 ZINC000769545247 627564585 /nfs/dbraw/zinc/56/45/85/627564585.db2.gz NDEKEMKTTNHXPA-UONOGXRCSA-N 1 1 283.375 3.102 20 30 CGEDMO C#CCCOc1ccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)cc1 ZINC000769544275 627564649 /nfs/dbraw/zinc/56/46/49/627564649.db2.gz IKJLTOXYEXOIKO-HNNXBMFYSA-N 1 1 282.387 3.213 20 30 CGEDMO C#CCCOc1ccc(C[N@H+](C[C@@H](C)C#N)C2CC2)cc1 ZINC000769544275 627564651 /nfs/dbraw/zinc/56/46/51/627564651.db2.gz IKJLTOXYEXOIKO-HNNXBMFYSA-N 1 1 282.387 3.213 20 30 CGEDMO CCC#C[C@@H](C)[NH+]1CCC(O)(c2ccccc2Cl)CC1 ZINC000769819974 627580609 /nfs/dbraw/zinc/58/06/09/627580609.db2.gz WDQWRRJZSYZMGZ-CQSZACIVSA-N 1 1 291.822 3.425 20 30 CGEDMO C#C[C@@H](C)[N@H+](C)Cc1c(Cl)ccc2cccnc21 ZINC000769962742 627593130 /nfs/dbraw/zinc/59/31/30/627593130.db2.gz JSYOVYJNEBPKNT-LLVKDONJSA-N 1 1 258.752 3.342 20 30 CGEDMO C#C[C@@H](C)[N@@H+](C)Cc1c(Cl)ccc2cccnc21 ZINC000769962742 627593131 /nfs/dbraw/zinc/59/31/31/627593131.db2.gz JSYOVYJNEBPKNT-LLVKDONJSA-N 1 1 258.752 3.342 20 30 CGEDMO C#CCOc1ccccc1C[N@H+](C)[C@@H](C)C1(C)CC1 ZINC000770288214 627611903 /nfs/dbraw/zinc/61/19/03/627611903.db2.gz HFFVAFRKUBVKKI-AWEZNQCLSA-N 1 1 257.377 3.319 20 30 CGEDMO C#CCOc1ccccc1CNc1ccc2c(c1)[nH+]cn2C ZINC000770588213 627629715 /nfs/dbraw/zinc/62/97/15/627629715.db2.gz KNDVBNPJVWTNIQ-UHFFFAOYSA-N 1 1 291.354 3.197 20 30 CGEDMO C=CC[N@H+](Cc1cc2c(cc1O)CCCC2)C1CC1 ZINC000771641070 627724884 /nfs/dbraw/zinc/72/48/84/627724884.db2.gz SGOVXJSCJMSYTO-UHFFFAOYSA-N 1 1 257.377 3.421 20 30 CGEDMO C=C(Cl)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000773003169 627840268 /nfs/dbraw/zinc/84/02/68/627840268.db2.gz AVWORICXIOPEMP-JTQLQIEISA-N 1 1 254.717 3.306 20 30 CGEDMO CCOCCO[NH+]=Cc1ccc(N2CCCCC2)s1 ZINC000774416839 627987057 /nfs/dbraw/zinc/98/70/57/627987057.db2.gz HFSOZPDYGLXBOM-UHFFFAOYSA-N 1 1 282.409 3.125 20 30 CGEDMO C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)c1cccc(C#N)c1 ZINC000775337345 628083919 /nfs/dbraw/zinc/08/39/19/628083919.db2.gz FARUAMXLPKCQJH-GFCCVEGCSA-N 1 1 279.318 3.420 20 30 CGEDMO C#C[C@H]([NH2+]Cc1cc(Cl)ccc1Cl)[C@H]1CCCO1 ZINC000775343712 628084521 /nfs/dbraw/zinc/08/45/21/628084521.db2.gz XJGDMQWHTSOZPK-UONOGXRCSA-N 1 1 284.186 3.264 20 30 CGEDMO C#CC[N@H+](Cc1ccc(C)nc1C)C1CCCCC1 ZINC000775585591 628111156 /nfs/dbraw/zinc/11/11/56/628111156.db2.gz DKKJTPXSRWGXLS-UHFFFAOYSA-N 1 1 256.393 3.466 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000775611148 628113050 /nfs/dbraw/zinc/11/30/50/628113050.db2.gz XDSZHBAMRYDWAL-CQSZACIVSA-N 1 1 282.428 3.284 20 30 CGEDMO N#CC1(C[N@@H+](Cc2ccccc2)C[C@H](O)c2ccco2)CC1 ZINC000775975525 628155030 /nfs/dbraw/zinc/15/50/30/628155030.db2.gz PASOSRIISBUADW-INIZCTEOSA-N 1 1 296.370 3.119 20 30 CGEDMO N#CC1(C[N@H+](Cc2ccccc2)C[C@H](O)c2ccco2)CC1 ZINC000775975525 628155032 /nfs/dbraw/zinc/15/50/32/628155032.db2.gz PASOSRIISBUADW-INIZCTEOSA-N 1 1 296.370 3.119 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCC[C@@H]2C2CCOCC2)cc1 ZINC000777439541 628269909 /nfs/dbraw/zinc/26/99/09/628269909.db2.gz JWNUQXQOZKQBFX-LJQANCHMSA-N 1 1 299.414 3.090 20 30 CGEDMO CC(C)[C@@H](Cc1ccccc1)N=NC1CC[N@@H+](C)[C@@H](C)C1 ZINC000777449224 628271562 /nfs/dbraw/zinc/27/15/62/628271562.db2.gz UGLJBAFOFZTNSH-MAUKXSAKSA-N 1 1 287.451 3.313 20 30 CGEDMO CC(=NNC1=[NH+]C[C@@H](C)N1)c1ccc(-c2ccccc2)s1 ZINC000779804549 628432942 /nfs/dbraw/zinc/43/29/42/628432942.db2.gz FFOAQRHOJADNTK-LLVKDONJSA-N 1 1 298.415 3.076 20 30 CGEDMO FC(F)(F)CC(=NNc1cc[nH+]cc1)c1ccccc1 ZINC000779809203 628433343 /nfs/dbraw/zinc/43/33/43/628433343.db2.gz MRSJPFSMEGJLII-UHFFFAOYSA-N 1 1 279.265 3.272 20 30 CGEDMO C[C@@H]1CCC(=NNc2cc[nH+]cc2)c2ccccc21 ZINC000779808489 628433457 /nfs/dbraw/zinc/43/34/57/628433457.db2.gz KFCIWEOKXIGMCP-GFCCVEGCSA-N 1 1 251.333 3.217 20 30 CGEDMO Clc1cc(Cl)cc(C=NNc2cc[nH+]cc2)c1 ZINC000779809621 628433868 /nfs/dbraw/zinc/43/38/68/628433868.db2.gz ZWJOGPYXJBPODO-UHFFFAOYSA-N 1 1 266.131 3.256 20 30 CGEDMO c1cc2c3c(c1)CCC[C@@H]3CC2=NNc1cc[nH+]cc1 ZINC000779809831 628433991 /nfs/dbraw/zinc/43/39/91/628433991.db2.gz RMNAGYJKZIMCEN-CYBMUJFWSA-N 1 1 263.344 3.143 20 30 CGEDMO CC(C)c1ccc2c(c1)C(=NNc1cc[nH+]cc1)CCO2 ZINC000779810587 628434198 /nfs/dbraw/zinc/43/41/98/628434198.db2.gz FJTABIVYQCDRJO-UHFFFAOYSA-N 1 1 281.359 3.226 20 30 CGEDMO CN(C)c1ccc(C=[NH+]Nc2ccc3n[nH]cc3c2)cc1 ZINC000779821026 628435851 /nfs/dbraw/zinc/43/58/51/628435851.db2.gz RRUBIJOCINNLSK-UHFFFAOYSA-N 1 1 279.347 3.075 20 30 CGEDMO C[C@@H](NC[C@H](C)[NH+]1CCCCC1)c1ccc(C#N)cc1F ZINC000781420974 628558781 /nfs/dbraw/zinc/55/87/81/628558781.db2.gz NHAKMVNYONEBEU-UONOGXRCSA-N 1 1 289.398 3.222 20 30 CGEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N[C@@H](C)CCCCC ZINC000785996962 628906501 /nfs/dbraw/zinc/90/65/01/628906501.db2.gz HTXWKKGGSZSKLT-LSDHHAIUSA-N 1 1 266.429 3.112 20 30 CGEDMO CCc1cccc(Cl)c1C[NH2+]Cc1ccc(C#N)cn1 ZINC000788966543 629091955 /nfs/dbraw/zinc/09/19/55/629091955.db2.gz ORGBJMQSZHCLBO-UHFFFAOYSA-N 1 1 285.778 3.459 20 30 CGEDMO C[N@H+]1CCCC(=NN2CCC(C(C)(C)C)CC2)CC1 ZINC000790180960 629189123 /nfs/dbraw/zinc/18/91/23/629189123.db2.gz LTDHOGGTVBMHOC-UHFFFAOYSA-N 1 1 265.445 3.216 20 30 CGEDMO CCc1[nH+]c(CN=Nc2ncccc2C)c2ccccn21 ZINC000790193132 629193255 /nfs/dbraw/zinc/19/32/55/629193255.db2.gz UZPNRWUHNJZVBZ-UHFFFAOYSA-N 1 1 279.347 3.046 20 30 CGEDMO C=C(C)C[N@@H+](CCC(=O)C1CC1)Cc1ccccc1 ZINC000791568972 629289866 /nfs/dbraw/zinc/28/98/66/629289866.db2.gz QUOJYTWMEHLQKD-UHFFFAOYSA-N 1 1 257.377 3.434 20 30 CGEDMO C#C[C@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(Cl)cc1 ZINC000862370653 629354815 /nfs/dbraw/zinc/35/48/15/629354815.db2.gz PQPOHVIIWKEVQK-CVEARBPZSA-N 1 1 290.838 3.477 20 30 CGEDMO C#CCC[N@@H+](C)Cc1ccc(F)cc1Br ZINC000792454167 629360593 /nfs/dbraw/zinc/36/05/93/629360593.db2.gz KFXFFFJOUHKBLT-UHFFFAOYSA-N 1 1 270.145 3.043 20 30 CGEDMO C#CCC[N@H+](C)Cc1ccc(F)cc1Br ZINC000792454167 629360595 /nfs/dbraw/zinc/36/05/95/629360595.db2.gz KFXFFFJOUHKBLT-UHFFFAOYSA-N 1 1 270.145 3.043 20 30 CGEDMO C#C[C@@H]([NH2+]Cc1c(F)ccc(F)c1Cl)C1CCOCC1 ZINC000862418449 629368492 /nfs/dbraw/zinc/36/84/92/629368492.db2.gz JNFPVWVUWFCUPR-CQSZACIVSA-N 1 1 299.748 3.136 20 30 CGEDMO C#CC[C@H]1CC[N@@H+](Cc2csc(-c3ccco3)n2)C1 ZINC000862442679 629375400 /nfs/dbraw/zinc/37/54/00/629375400.db2.gz FKULOPVVAJPXEM-LBPRGKRZSA-N 1 1 272.373 3.248 20 30 CGEDMO C#CC[C@H]1CC[N@H+](C/C=C/c2ccccc2OC)C1 ZINC000862444490 629377611 /nfs/dbraw/zinc/37/76/11/629377611.db2.gz AVFWGOAURNRCQB-PPYMECGQSA-N 1 1 255.361 3.054 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC000862446590 629379194 /nfs/dbraw/zinc/37/91/94/629379194.db2.gz BCKHKEZYIXMIRU-CQSZACIVSA-N 1 1 297.377 3.071 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc3nc(C)sc3c2)C1 ZINC000862445392 629379357 /nfs/dbraw/zinc/37/93/57/629379357.db2.gz SEELYIMYNIHJMG-CYBMUJFWSA-N 1 1 270.401 3.450 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ccsc2Br)C1 ZINC000862446540 629379737 /nfs/dbraw/zinc/37/97/37/629379737.db2.gz AEJPJOSEFWSNRV-JTQLQIEISA-N 1 1 284.222 3.356 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cc(F)ccc2OC(F)F)C1 ZINC000862447089 629380134 /nfs/dbraw/zinc/38/01/34/629380134.db2.gz IMIWINQTTRCZQT-NSHDSACASA-N 1 1 283.293 3.272 20 30 CGEDMO C#CC[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3F)nc2C)C1 ZINC000862448010 629381480 /nfs/dbraw/zinc/38/14/80/629381480.db2.gz UXBUEYSDFFNZGE-OAHLLOKOSA-N 1 1 297.377 3.165 20 30 CGEDMO C[C@H]([NH2+]Cc1cccnc1F)c1ccc(C#N)c(F)c1 ZINC000794837667 629585974 /nfs/dbraw/zinc/58/59/74/629585974.db2.gz VCRDLPSKKQCFIT-JTQLQIEISA-N 1 1 273.286 3.082 20 30 CGEDMO CC[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)CC1CC1 ZINC000125641417 634749426 /nfs/dbraw/zinc/74/94/26/634749426.db2.gz CKRNYGMUKSOYHG-CYBMUJFWSA-N 1 1 258.365 3.209 20 30 CGEDMO C=CCCC[N@H+](C)Cn1nc(C)c(Br)c1C ZINC000119741202 629705041 /nfs/dbraw/zinc/70/50/41/629705041.db2.gz SXFMJLJSQXTQBM-UHFFFAOYSA-N 1 1 286.217 3.118 20 30 CGEDMO C=CCC(C)(C)C(=O)OCC[C@@H]1CCCC[N@@H+]1C ZINC000796463676 629785610 /nfs/dbraw/zinc/78/56/10/629785610.db2.gz WYGGZSSWEWIYQU-ZDUSSCGKSA-N 1 1 253.386 3.006 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CC[C@@H](c3ccccn3)C2)cc1 ZINC000798963458 630129722 /nfs/dbraw/zinc/12/97/22/630129722.db2.gz CBSRAKNRYCJZST-QGZVFWFLSA-N 1 1 292.382 3.083 20 30 CGEDMO C[C@@H]1CC(CC/[NH+]=C/c2ccccc2O)C[C@@H](C)O1 ZINC000801645507 630349115 /nfs/dbraw/zinc/34/91/15/630349115.db2.gz BSPNVZQYMSAKNT-MDDWGPDPSA-N 1 1 261.365 3.405 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000801910554 630364277 /nfs/dbraw/zinc/36/42/77/630364277.db2.gz UGYFXAWJEHTZGL-ZENOOKHLSA-N 1 1 288.391 3.296 20 30 CGEDMO C[C@@H](C#N)OCC[N@@H+](C)Cc1ccc(C(F)(F)F)cc1 ZINC000801909929 630364444 /nfs/dbraw/zinc/36/44/44/630364444.db2.gz IMVOOOWHULBYEZ-NSHDSACASA-N 1 1 286.297 3.066 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000801912861 630364887 /nfs/dbraw/zinc/36/48/87/630364887.db2.gz GZUDLTKBLCCHDK-RDJZCZTQSA-N 1 1 272.392 3.012 20 30 CGEDMO CC[N@@H+](CCO[C@@H](C)C#N)Cc1ccccc1Cl ZINC000801914066 630364980 /nfs/dbraw/zinc/36/49/80/630364980.db2.gz DWGLANHJGFSZNH-LBPRGKRZSA-N 1 1 266.772 3.091 20 30 CGEDMO Cc1ccc([C@H](C)[N@H+](C)CCO[C@@H](C)C#N)c(C)c1 ZINC000801912938 630365042 /nfs/dbraw/zinc/36/50/42/630365042.db2.gz JHLWLTWMITWSOH-GJZGRUSLSA-N 1 1 260.381 3.225 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+](Cc1ccccc1)CC1CCC1 ZINC000801916566 630366103 /nfs/dbraw/zinc/36/61/03/630366103.db2.gz YFBAEOOPIHKPJE-HNNXBMFYSA-N 1 1 272.392 3.217 20 30 CGEDMO C[C@H](C#N)OCC[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000801920277 630366562 /nfs/dbraw/zinc/36/65/62/630366562.db2.gz OQWJNAYACSAPOQ-CQSZACIVSA-N 1 1 288.391 3.065 20 30 CGEDMO CC(C)CC[C@H]1CCCC[N@H+]1CCO[C@H](C)C#N ZINC000801935417 630369909 /nfs/dbraw/zinc/36/99/09/630369909.db2.gz ZZTHWGLHGUFRGI-HUUCEWRRSA-N 1 1 252.402 3.206 20 30 CGEDMO COc1cccc([C@@H]2C[C@H](C)C[N@H+]2CCO[C@@H](C)C#N)c1 ZINC000801938816 630371184 /nfs/dbraw/zinc/37/11/84/630371184.db2.gz MCMQEHNNVKXDTJ-ZQIUZPCESA-N 1 1 288.391 3.007 20 30 CGEDMO Cc1cc(C)cc(C2=CC[N@@H+](CCO[C@H](C)C#N)CC2)c1 ZINC000801939533 630371492 /nfs/dbraw/zinc/37/14/92/630371492.db2.gz FQPRDVVGEPMBEZ-MRXNPFEDSA-N 1 1 284.403 3.321 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@]1(C)Cc1ccccc1 ZINC000801941963 630372138 /nfs/dbraw/zinc/37/21/38/630372138.db2.gz DGUZURRHSWQSGL-DOTOQJQBSA-N 1 1 272.392 3.012 20 30 CGEDMO Cc1cc(OCCO[C@@H](C)C#N)c2c(C)cccc2[nH+]1 ZINC000802734526 630406131 /nfs/dbraw/zinc/40/61/31/630406131.db2.gz IOPWPLOKJNUZMF-ZDUSSCGKSA-N 1 1 270.332 3.159 20 30 CGEDMO Cc1ccc2c(c1)[nH+]c(C)cc2OCCO[C@H](C)C#N ZINC000802735818 630406248 /nfs/dbraw/zinc/40/62/48/630406248.db2.gz SUFFYWMFYDHIAT-CYBMUJFWSA-N 1 1 270.332 3.159 20 30 CGEDMO Cc1cn2cc(Nc3nc(Cl)c(C#N)s3)ccc2[nH+]1 ZINC000804466862 630530285 /nfs/dbraw/zinc/53/02/85/630530285.db2.gz PMMSQZXCNYFUHR-UHFFFAOYSA-N 1 1 289.751 3.368 20 30 CGEDMO C#Cc1ccc(C[N@H+](CCO)[C@H]2CCc3ccccc32)cc1 ZINC000809575813 630753113 /nfs/dbraw/zinc/75/31/13/630753113.db2.gz MLISDXRVLBREBM-FQEVSTJZSA-N 1 1 291.394 3.150 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)cc1 ZINC000809639458 630772006 /nfs/dbraw/zinc/77/20/06/630772006.db2.gz VFZFELDXWJGNNT-LJQANCHMSA-N 1 1 295.357 3.460 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@](OC)(C(F)(F)F)C2)cc1 ZINC000809649574 630774678 /nfs/dbraw/zinc/77/46/78/630774678.db2.gz WTZRRGLQVGTCDE-OAHLLOKOSA-N 1 1 297.320 3.211 20 30 CGEDMO C#C[C@H](C)[NH2+]Cc1c(Cl)cccc1N1CCCC1 ZINC000809683641 630778828 /nfs/dbraw/zinc/77/88/28/630778828.db2.gz IDJINORRPTWUBD-LBPRGKRZSA-N 1 1 262.784 3.052 20 30 CGEDMO C#C[C@@H]([NH2+][C@H](CC)COC)c1ccc(Cl)cc1F ZINC000809699699 630785932 /nfs/dbraw/zinc/78/59/32/630785932.db2.gz SDAHNALHXNXDHV-BXUZGUMPSA-N 1 1 269.747 3.168 20 30 CGEDMO C#CCOc1ccc(C[N@H+]2CCCc3occc3C2)cc1 ZINC000809792531 630811822 /nfs/dbraw/zinc/81/18/22/630811822.db2.gz ZLMHAPJAXCDMBX-UHFFFAOYSA-N 1 1 281.355 3.240 20 30 CGEDMO CC[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(F)cc1 ZINC000810137351 630843011 /nfs/dbraw/zinc/84/30/11/630843011.db2.gz RTDVFXGTZOVOKU-CYBMUJFWSA-N 1 1 275.352 3.395 20 30 CGEDMO C=CCCc1ccccc1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000811495961 631076455 /nfs/dbraw/zinc/07/64/55/631076455.db2.gz NEGMYNGLBSRROT-HOCLYGCPSA-N 1 1 286.419 3.474 20 30 CGEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC(F)(F)[C@@H](C)C2)cc1 ZINC000811512757 631079854 /nfs/dbraw/zinc/07/98/54/631079854.db2.gz RUAHQOIMYBHTCV-STQMWFEESA-N 1 1 294.345 3.455 20 30 CGEDMO C[C@@H]1CN(c2ccccc2C=[NH+]OC/C=C\Cl)CCO1 ZINC000811672169 631108855 /nfs/dbraw/zinc/10/88/55/631108855.db2.gz RXEUCQMKOYLXBT-XLJRPTPXSA-N 1 1 294.782 3.015 20 30 CGEDMO C[C@@H]1C(=NOC2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000812237047 631227467 /nfs/dbraw/zinc/22/74/67/631227467.db2.gz IEWOESFSKJGRIM-CYBMUJFWSA-N 1 1 258.365 3.206 20 30 CGEDMO CC(=[NH+]OCCOC(C)C)c1ccc(F)cc1N(C)C ZINC000812238363 631228740 /nfs/dbraw/zinc/22/87/40/631228740.db2.gz YGEFPPHSUAGOFS-UHFFFAOYSA-N 1 1 282.359 3.057 20 30 CGEDMO C#CC[N@@H+](CCC[C@H]1CCO1)[C@H]1CCc2ccccc21 ZINC000876513693 634849707 /nfs/dbraw/zinc/84/97/07/634849707.db2.gz OUYVJJUCHUUBGP-WMZOPIPTSA-N 1 1 269.388 3.178 20 30 CGEDMO CC(C)C[N@H+](CCC#N)Cc1ccc2nccnc2c1 ZINC000876529342 634852306 /nfs/dbraw/zinc/85/23/06/634852306.db2.gz GMQAQZWMRAVPQX-UHFFFAOYSA-N 1 1 268.364 3.001 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc2nccnc2c1 ZINC000876529342 634852309 /nfs/dbraw/zinc/85/23/09/634852309.db2.gz GMQAQZWMRAVPQX-UHFFFAOYSA-N 1 1 268.364 3.001 20 30 CGEDMO C[C@H]1C[N@H+](Cc2cccc(C#N)n2)Cc2ccccc21 ZINC000876544304 634853985 /nfs/dbraw/zinc/85/39/85/634853985.db2.gz SQVOCVUIELNNHR-ZDUSSCGKSA-N 1 1 263.344 3.073 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cccc(C#N)n2)Cc2ccccc21 ZINC000876544304 634853989 /nfs/dbraw/zinc/85/39/89/634853989.db2.gz SQVOCVUIELNNHR-ZDUSSCGKSA-N 1 1 263.344 3.073 20 30 CGEDMO N#CCCOCC[N@@H+]1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000815047840 631705926 /nfs/dbraw/zinc/70/59/26/631705926.db2.gz KSJOMGQHPPEBFW-OAHLLOKOSA-N 1 1 280.318 3.032 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@]1(C)Cc1ccc(F)cc1 ZINC000817276410 632113442 /nfs/dbraw/zinc/11/34/42/632113442.db2.gz DEAGZMZWVAPQKE-RHSMWYFYSA-N 1 1 290.382 3.151 20 30 CGEDMO C=C(Br)C[N@@H+](C)C1CC(OC(C)(C)C)C1 ZINC000817288376 632115024 /nfs/dbraw/zinc/11/50/24/632115024.db2.gz XLUUTGXCXRHBKI-UHFFFAOYSA-N 1 1 276.218 3.173 20 30 CGEDMO C=C(Br)C[N@H+](C)C1CC(OC(C)(C)C)C1 ZINC000817288376 632115031 /nfs/dbraw/zinc/11/50/31/632115031.db2.gz XLUUTGXCXRHBKI-UHFFFAOYSA-N 1 1 276.218 3.173 20 30 CGEDMO Nc1ccc2c(c1)C(=[NH+]OC/C=C\Cl)CCCC2 ZINC000817328933 632122711 /nfs/dbraw/zinc/12/27/11/632122711.db2.gz PLZGNRNPWMRHGC-BZXFLSNBSA-N 1 1 264.756 3.468 20 30 CGEDMO C[N@@H+](CCCCCn1cccn1)CCc1cccc(C#N)c1 ZINC000879433692 635786747 /nfs/dbraw/zinc/78/67/47/635786747.db2.gz BCBSCIHSNFPUJC-UHFFFAOYSA-N 1 1 296.418 3.100 20 30 CGEDMO Clc1cc(N=NC2CC[N@H+]3CCC[C@H]23)cc(Cl)n1 ZINC000819828735 632527897 /nfs/dbraw/zinc/52/78/97/632527897.db2.gz OJJUWDIAAXZMSD-SNVBAGLBSA-N 1 1 285.178 3.024 20 30 CGEDMO CN(C)c1[nH+]cc(/C=C/C(=O)c2cc3ccccc3o2)n1C ZINC000821027462 632714191 /nfs/dbraw/zinc/71/41/91/632714191.db2.gz HNUFLWLEDKRCDU-CMDGGOBGSA-N 1 1 295.342 3.128 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1CCC=CO1 ZINC000822526237 632961793 /nfs/dbraw/zinc/96/17/93/632961793.db2.gz RSSMWEDDHIPRAW-CZUORRHYSA-N 1 1 256.349 3.244 20 30 CGEDMO CC(C)c1ccc(Cc2noc([C@@H]([NH3+])CCCC#N)n2)cc1 ZINC000822705672 633008683 /nfs/dbraw/zinc/00/86/83/633008683.db2.gz CHRWCJQRBUPEAN-HNNXBMFYSA-N 1 1 298.390 3.477 20 30 CGEDMO N#CCCC[C@H]([NH3+])c1nc(CCC2CCCCC2)no1 ZINC000822755914 633016747 /nfs/dbraw/zinc/01/67/47/633016747.db2.gz NBOIABJXCUNXAV-ZDUSSCGKSA-N 1 1 276.384 3.276 20 30 CGEDMO N#CCCC[C@H]([NH3+])c1nc(-c2cccc(Cl)c2F)no1 ZINC000823001813 633048021 /nfs/dbraw/zinc/04/80/21/633048021.db2.gz QSMBUARNCGVFLS-JTQLQIEISA-N 1 1 294.717 3.223 20 30 CGEDMO C=C(C)C[NH+]1CCC(N[C@H](c2ccccn2)C(C)C)CC1 ZINC000866261754 633050197 /nfs/dbraw/zinc/05/01/97/633050197.db2.gz ZDQNEPHLKFFKPA-SFHVURJKSA-N 1 1 287.451 3.409 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@](C)(O)c1ccccc1 ZINC000823605396 633126310 /nfs/dbraw/zinc/12/63/10/633126310.db2.gz JWMCZUKHIMUMTL-DNVCBOLYSA-N 1 1 294.398 3.459 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000121129488 633205709 /nfs/dbraw/zinc/20/57/09/633205709.db2.gz LNOMPLSVEUHXMJ-CQSZACIVSA-N 1 1 298.224 3.381 20 30 CGEDMO C#C[C@@H]([NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1)C(C)C ZINC000824364196 633236211 /nfs/dbraw/zinc/23/62/11/633236211.db2.gz WAJPAJNLAWEADZ-YLJYHZDGSA-N 1 1 298.474 3.329 20 30 CGEDMO C#C[C@H]([NH2+][C@H]1CSC[C@H]1C)c1ccc(Cl)cc1F ZINC000824370363 633237089 /nfs/dbraw/zinc/23/70/89/633237089.db2.gz GBFWPZZIHUIAEP-IIMNLJJBSA-N 1 1 283.799 3.495 20 30 CGEDMO Cc1cc(O)c(C[N@@H+](C[C@@H](C)C#N)C2CC2)cc1Cl ZINC000824912883 633305008 /nfs/dbraw/zinc/30/50/08/633305008.db2.gz CMVUTBAIEVPBGD-JTQLQIEISA-N 1 1 278.783 3.478 20 30 CGEDMO Cc1cc(O)c(C[N@H+](C[C@@H](C)C#N)C2CC2)cc1Cl ZINC000824912883 633305013 /nfs/dbraw/zinc/30/50/13/633305013.db2.gz CMVUTBAIEVPBGD-JTQLQIEISA-N 1 1 278.783 3.478 20 30 CGEDMO CC(C)C[N@@H+](Cc1cc(C#N)cnc1Cl)C1CC1 ZINC000876599355 634865271 /nfs/dbraw/zinc/86/52/71/634865271.db2.gz YMLIDYUPZGNVOC-UHFFFAOYSA-N 1 1 263.772 3.227 20 30 CGEDMO Cc1ncsc1-c1ccc(C[NH2+]CCC#N)cc1 ZINC000825721306 633376847 /nfs/dbraw/zinc/37/68/47/633376847.db2.gz PJGJDJHLSINAQZ-UHFFFAOYSA-N 1 1 257.362 3.122 20 30 CGEDMO CC(C)C[N@@H+](CCC#N)C[C@@H](O)[C@H](C)c1ccccc1 ZINC000827872595 633528379 /nfs/dbraw/zinc/52/83/79/633528379.db2.gz DOGSKEIZWCHQJB-NVXWUHKLSA-N 1 1 274.408 3.023 20 30 CGEDMO CO[C@@H](Cc1ccccc1)C[N@@H+](CCC#N)CC(C)C ZINC000827872474 633529218 /nfs/dbraw/zinc/52/92/18/633529218.db2.gz CVDYHUOFKULLQQ-KRWDZBQOSA-N 1 1 274.408 3.116 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)CCC(=O)CC(C)C ZINC000827970636 633542679 /nfs/dbraw/zinc/54/26/79/633542679.db2.gz IFJMQMXHZACGJR-UHFFFAOYSA-N 1 1 252.402 3.253 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)CCC(=O)CC(C)C ZINC000827970636 633542680 /nfs/dbraw/zinc/54/26/80/633542680.db2.gz IFJMQMXHZACGJR-UHFFFAOYSA-N 1 1 252.402 3.253 20 30 CGEDMO C#CC[N@H+](C[C@H](O)[C@H](C)c1ccccc1)C1CCCC1 ZINC000828036445 633551588 /nfs/dbraw/zinc/55/15/88/633551588.db2.gz KSSGMUXPIRDTSD-QAPCUYQASA-N 1 1 271.404 3.029 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](C[C@H](O)c2ccc(Cl)c(F)c2)C1 ZINC000829811185 633794309 /nfs/dbraw/zinc/79/43/09/633794309.db2.gz ZFCLHJYXPPZBQU-LRDDRELGSA-N 1 1 295.785 3.248 20 30 CGEDMO C[N@H+]1CC[C@@H](CSc2c(Cl)cccc2C#N)C1 ZINC000871691977 633828155 /nfs/dbraw/zinc/82/81/55/633828155.db2.gz CXEZKOPVRIAMBU-SNVBAGLBSA-N 1 1 266.797 3.255 20 30 CGEDMO C#CC1CC[NH+](Cc2csc(CCCC)n2)CC1 ZINC000830316259 633848195 /nfs/dbraw/zinc/84/81/95/633848195.db2.gz KNDDKFSRASYOCG-UHFFFAOYSA-N 1 1 262.422 3.331 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@H](O)[C@H]1CCc1ccccc1 ZINC000830396795 633859496 /nfs/dbraw/zinc/85/94/96/633859496.db2.gz UEFPAHFXXCGKHO-CVEARBPZSA-N 1 1 279.811 3.197 20 30 CGEDMO C[C@H](C#N)OCC[N@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000830764934 633886266 /nfs/dbraw/zinc/88/62/66/633886266.db2.gz NGLQCFVBRGIFCF-WBVHZDCISA-N 1 1 282.387 3.308 20 30 CGEDMO CCCCCCC[N@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000832020300 634022587 /nfs/dbraw/zinc/02/25/87/634022587.db2.gz HUHCHXVJWQFJJP-KRWDZBQOSA-N 1 1 259.459 3.190 20 30 CGEDMO C=CC(C)(C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000872100973 634022595 /nfs/dbraw/zinc/02/25/95/634022595.db2.gz LKUMZAWJKXPYDV-GOOCMWNKSA-N 1 1 250.430 3.194 20 30 CGEDMO C=C(Br)C[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000832505921 634068866 /nfs/dbraw/zinc/06/88/66/634068866.db2.gz RJOQAOSIUNOHSJ-NSHDSACASA-N 1 1 276.243 3.114 20 30 CGEDMO C=C(Br)C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000832505921 634068874 /nfs/dbraw/zinc/06/88/74/634068874.db2.gz RJOQAOSIUNOHSJ-NSHDSACASA-N 1 1 276.243 3.114 20 30 CGEDMO C=C(Cl)C[C@H]([NH3+])c1nc(Cc2ccc(C)cc2)no1 ZINC000872172973 634078010 /nfs/dbraw/zinc/07/80/10/634078010.db2.gz JPYNYCABNVTUJZ-LBPRGKRZSA-N 1 1 277.755 3.111 20 30 CGEDMO C=C(Cl)C[C@H]([NH3+])c1nc(C2(CC)CCCC2)no1 ZINC000872179551 634079742 /nfs/dbraw/zinc/07/97/42/634079742.db2.gz CFPZXRIWNCVNRY-JTQLQIEISA-N 1 1 269.776 3.434 20 30 CGEDMO CCc1nc(C[NH2+][C@@H](CC)c2ccc(C#N)cc2)co1 ZINC000834899351 634275613 /nfs/dbraw/zinc/27/56/13/634275613.db2.gz PCIFPEAHIZUUTE-HNNXBMFYSA-N 1 1 269.348 3.350 20 30 CGEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@H](C)CCC#N ZINC000876642599 634874680 /nfs/dbraw/zinc/87/46/80/634874680.db2.gz GGRRRVMGNLFLTG-CQSZACIVSA-N 1 1 258.340 3.201 20 30 CGEDMO N#Cc1cnc(Cl)c(C[N@H+]2CCC[C@H]2C2CCC2)c1 ZINC000876660083 634876560 /nfs/dbraw/zinc/87/65/60/634876560.db2.gz NDLFMDLXJYHZQA-AWEZNQCLSA-N 1 1 275.783 3.371 20 30 CGEDMO N#Cc1cnc(Cl)c(C[N@@H+]2CC[C@@H](c3ccco3)C2)c1 ZINC000876724466 634886913 /nfs/dbraw/zinc/88/69/13/634886913.db2.gz XRYIUTZFZMFCRX-GFCCVEGCSA-N 1 1 287.750 3.189 20 30 CGEDMO N#Cc1cnc(Cl)c(C[N@H+]2CC[C@@H](c3ccco3)C2)c1 ZINC000876724466 634886915 /nfs/dbraw/zinc/88/69/15/634886915.db2.gz XRYIUTZFZMFCRX-GFCCVEGCSA-N 1 1 287.750 3.189 20 30 CGEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CCC2(CCC2)C1 ZINC000876741911 634889430 /nfs/dbraw/zinc/88/94/30/634889430.db2.gz LSVXVSIJERWUDF-UHFFFAOYSA-N 1 1 269.392 3.000 20 30 CGEDMO CSCC[C@@H](C)[N@H+](C)Cc1cc(C#N)cnc1Cl ZINC000876753570 634892649 /nfs/dbraw/zinc/89/26/49/634892649.db2.gz HMFUPNBSXOOACL-SNVBAGLBSA-N 1 1 283.828 3.180 20 30 CGEDMO CSCC[C@@H](C)[N@@H+](C)Cc1cc(C#N)cnc1Cl ZINC000876753570 634892651 /nfs/dbraw/zinc/89/26/51/634892651.db2.gz HMFUPNBSXOOACL-SNVBAGLBSA-N 1 1 283.828 3.180 20 30 CGEDMO Cc1[nH+]cn(-c2ccc(NC(=O)C#CC(C)(C)C)cc2)c1C ZINC000837666922 634961929 /nfs/dbraw/zinc/96/19/29/634961929.db2.gz XXJJPHCRSKLPJS-UHFFFAOYSA-N 1 1 295.386 3.477 20 30 CGEDMO C=C(Cl)C[NH2+]Cc1c(C(F)(F)F)nc2n1CCCC2 ZINC000877150109 635001920 /nfs/dbraw/zinc/00/19/20/635001920.db2.gz XEGGLLKMVIJSAN-UHFFFAOYSA-N 1 1 293.720 3.080 20 30 CGEDMO N#Cc1cnc(Cl)c(C[N@@H+](CC2CC2)C2CCC2)c1 ZINC000877493074 635059301 /nfs/dbraw/zinc/05/93/01/635059301.db2.gz DCMCBSDTTAQHNG-UHFFFAOYSA-N 1 1 275.783 3.371 20 30 CGEDMO C#CCCCCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000877563719 635092299 /nfs/dbraw/zinc/09/22/99/635092299.db2.gz OPGZLNOCYNLNPP-BBWFWOEESA-N 1 1 263.425 3.196 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000877605837 635108758 /nfs/dbraw/zinc/10/87/58/635108758.db2.gz WVZNQPOCPMBISL-ZWKOTPCHSA-N 1 1 282.431 3.248 20 30 CGEDMO COC(=O)c1cc(N[NH2+]C(C)=C2CC2(F)F)ccc1F ZINC000841641913 635206652 /nfs/dbraw/zinc/20/66/52/635206652.db2.gz ZEKLFCIPBZUKKV-JTQLQIEISA-N 1 1 286.253 3.055 20 30 CGEDMO Cc1csc([C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)n1 ZINC000877813021 635218035 /nfs/dbraw/zinc/21/80/35/635218035.db2.gz ICOCGILIJOGEIO-OAHLLOKOSA-N 1 1 283.400 3.313 20 30 CGEDMO C#CCCCCCN1CCC[N@@H+](CCCCCC#C)CC1 ZINC000877923323 635272474 /nfs/dbraw/zinc/27/24/74/635272474.db2.gz NJPVVSSPXJPHLE-UHFFFAOYSA-N 1 1 288.479 3.381 20 30 CGEDMO CC(=O)[C@](C#N)(CC[N@H+](C)[C@H](C)C1CC1)c1ccccc1 ZINC000877930161 635274558 /nfs/dbraw/zinc/27/45/58/635274558.db2.gz XKCOXUNWMOCLOC-RDTXWAMCSA-N 1 1 284.403 3.157 20 30 CGEDMO C#CCCCCC[N@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000877943663 635282084 /nfs/dbraw/zinc/28/20/84/635282084.db2.gz NTITURCVXQDBMK-INIZCTEOSA-N 1 1 296.418 3.454 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000877959486 635288733 /nfs/dbraw/zinc/28/87/33/635288733.db2.gz NAHGXVNTDOJVFG-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000877960232 635288765 /nfs/dbraw/zinc/28/87/65/635288765.db2.gz IVXBKITWOQYIDP-AWEZNQCLSA-N 1 1 267.376 3.195 20 30 CGEDMO C[C@@H](C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1)c1ccccc1 ZINC000842147819 635296784 /nfs/dbraw/zinc/29/67/84/635296784.db2.gz JKAKXEXHVKRVHU-KXBFYZLASA-N 1 1 294.398 3.327 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@H]1C[C@@H](OC)C1 ZINC000877987892 635307316 /nfs/dbraw/zinc/30/73/16/635307316.db2.gz WCBFDOYLLSNHLT-OTVXOJSOSA-N 1 1 263.356 3.239 20 30 CGEDMO N#Cc1ccc(C[N@@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)C2CC2)cc1 ZINC000878002251 635315743 /nfs/dbraw/zinc/31/57/43/635315743.db2.gz RTHADHQJWXVRTE-YTQUADARSA-N 1 1 296.414 3.480 20 30 CGEDMO CC(C)[C@H](O)CC[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000878005676 635316767 /nfs/dbraw/zinc/31/67/67/635316767.db2.gz SZMKGRFKUKDUFO-QGZVFWFLSA-N 1 1 274.408 3.176 20 30 CGEDMO CC[N@@H+](CC[C@@](C#N)(C(C)=O)c1ccccc1)CC1CC1 ZINC000878098019 635355272 /nfs/dbraw/zinc/35/52/72/635355272.db2.gz RJPKBHYGUWIBDD-GOSISDBHSA-N 1 1 284.403 3.159 20 30 CGEDMO C=CCCCCC[N@H+](C)C[C@@H]1CC2(CO1)CCOCC2 ZINC000878125674 635367845 /nfs/dbraw/zinc/36/78/45/635367845.db2.gz QFEMLCRAZISRKA-INIZCTEOSA-N 1 1 281.440 3.250 20 30 CGEDMO C=CC[C@H](C)[N@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000878151056 635380187 /nfs/dbraw/zinc/38/01/87/635380187.db2.gz UEAZQNIRTKIYBY-WMZOPIPTSA-N 1 1 272.436 3.405 20 30 CGEDMO C=CC[C@H](C)[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000878151056 635380194 /nfs/dbraw/zinc/38/01/94/635380194.db2.gz UEAZQNIRTKIYBY-WMZOPIPTSA-N 1 1 272.436 3.405 20 30 CGEDMO CC(C)[C@H](O)CC[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000878154081 635383476 /nfs/dbraw/zinc/38/34/76/635383476.db2.gz UMBYWPFVSIMJBI-RCCFBDPRSA-N 1 1 286.419 3.165 20 30 CGEDMO C#CCCCCC[N@H+](C)Cc1ncc(CC)s1 ZINC000878161425 635387802 /nfs/dbraw/zinc/38/78/02/635387802.db2.gz RKXZJWZFUPBOND-UHFFFAOYSA-N 1 1 250.411 3.331 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000878255565 635433753 /nfs/dbraw/zinc/43/37/53/635433753.db2.gz RYAGNBQRXRDCTR-IHRRRGAJSA-N 1 1 282.428 3.186 20 30 CGEDMO C#CC[N@@H+](Cc1oc(-c2ccccc2)nc1C)C1CC1 ZINC000878434801 635506777 /nfs/dbraw/zinc/50/67/77/635506777.db2.gz TVZZXALSLUOVGX-UHFFFAOYSA-N 1 1 266.344 3.248 20 30 CGEDMO C#CC[N@H+](Cc1oc(-c2ccccc2)nc1C)C1CC1 ZINC000878434801 635506782 /nfs/dbraw/zinc/50/67/82/635506782.db2.gz TVZZXALSLUOVGX-UHFFFAOYSA-N 1 1 266.344 3.248 20 30 CGEDMO C=CC[C@@H](C)[N@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000878435320 635508984 /nfs/dbraw/zinc/50/89/84/635508984.db2.gz GVLABCFBEXCTFQ-ZIAGYGMSSA-N 1 1 253.386 3.005 20 30 CGEDMO C#CCCCCC[N@@H+]1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000878657438 635594486 /nfs/dbraw/zinc/59/44/86/635594486.db2.gz LGHYWTWLGWRDNZ-INIZCTEOSA-N 1 1 273.424 3.039 20 30 CGEDMO C#C[C@](C)(CC)[NH2+]Cc1coc(-c2ccccc2OC)n1 ZINC000878660836 635595065 /nfs/dbraw/zinc/59/50/65/635595065.db2.gz NQSAOEFQPAOXFQ-QGZVFWFLSA-N 1 1 284.359 3.242 20 30 CGEDMO C=CC[N@H+](CC[C@H]1CCCC1(F)F)[C@@H](C)COC ZINC000878889557 635651000 /nfs/dbraw/zinc/65/10/00/635651000.db2.gz BOVDHUJCQHRWID-QWHCGFSZSA-N 1 1 261.356 3.335 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(C)c(OC)c2)C1 ZINC000843423018 635666337 /nfs/dbraw/zinc/66/63/37/635666337.db2.gz KOYFTYUTTIPVDN-HNNXBMFYSA-N 1 1 257.377 3.239 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2C)C1 ZINC000843422992 635666479 /nfs/dbraw/zinc/66/64/79/635666479.db2.gz KMXLGMJOEYZOOD-HNNXBMFYSA-N 1 1 287.403 3.248 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](CCCc2ccc(C)nc2)C1 ZINC000843423401 635667216 /nfs/dbraw/zinc/66/72/16/635667216.db2.gz NPEZPVWAYDQOHW-KRWDZBQOSA-N 1 1 256.393 3.058 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](Cc2cnc(C)n2-c2ccccc2)C1 ZINC000843424563 635669944 /nfs/dbraw/zinc/66/99/44/635669944.db2.gz WGOWWFROFWIUSB-QGZVFWFLSA-N 1 1 293.414 3.416 20 30 CGEDMO C=CC[C@@H]1CC[N@H+](CC[C@](C#N)(C(C)=O)c2ccccc2)C1 ZINC000879032052 635686059 /nfs/dbraw/zinc/68/60/59/635686059.db2.gz JCRYYHLGLLYSHS-MJGOQNOKSA-N 1 1 296.414 3.325 20 30 CGEDMO N#CCc1cccc2c1CC[N@@H+](C[C@@H]1C[C@@H]3CCC[C@@H]3O1)C2 ZINC000879064296 635693681 /nfs/dbraw/zinc/69/36/81/635693681.db2.gz BHSVRAJSCXAAGQ-IEZWGBDMSA-N 1 1 296.414 3.068 20 30 CGEDMO C[N@H+](C[C@H](O)c1ccc(Cl)c(F)c1)[C@@H]1CCC[C@H]1C#N ZINC000879309328 635752367 /nfs/dbraw/zinc/75/23/67/635752367.db2.gz GIRHOSSUOIEYST-GLQYFDAESA-N 1 1 296.773 3.137 20 30 CGEDMO C[N@@H+](C[C@H](O)c1ccc(Cl)c(F)c1)[C@@H]1CCC[C@H]1C#N ZINC000879309328 635752370 /nfs/dbraw/zinc/75/23/70/635752370.db2.gz GIRHOSSUOIEYST-GLQYFDAESA-N 1 1 296.773 3.137 20 30 CGEDMO C[N@H+](C[C@]1(C)CC1(Cl)Cl)[C@H]1CCC[C@@H]1C#N ZINC000879309203 635752526 /nfs/dbraw/zinc/75/25/26/635752526.db2.gz LZQJDNDVQBDKLL-VWYCJHECSA-N 1 1 261.196 3.194 20 30 CGEDMO C[N@@H+](C[C@]1(C)CC1(Cl)Cl)[C@H]1CCC[C@@H]1C#N ZINC000879309203 635752529 /nfs/dbraw/zinc/75/25/29/635752529.db2.gz LZQJDNDVQBDKLL-VWYCJHECSA-N 1 1 261.196 3.194 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844437021 635901495 /nfs/dbraw/zinc/90/14/95/635901495.db2.gz KQIYHJVZXIVRNH-CYBMUJFWSA-N 1 1 256.340 3.438 20 30 CGEDMO CN1CCC[C@@H]2[C@H]1CC[N@H+]2CCC1(C#N)CCCCC1 ZINC000880142621 635924477 /nfs/dbraw/zinc/92/44/77/635924477.db2.gz RFLJBFKTPRKDKA-HZPDHXFCSA-N 1 1 275.440 3.019 20 30 CGEDMO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2CCC1(C#N)CCCCC1 ZINC000880142621 635924478 /nfs/dbraw/zinc/92/44/78/635924478.db2.gz RFLJBFKTPRKDKA-HZPDHXFCSA-N 1 1 275.440 3.019 20 30 CGEDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2CCC1(C#N)CCCCC1 ZINC000880142621 635924480 /nfs/dbraw/zinc/92/44/80/635924480.db2.gz RFLJBFKTPRKDKA-HZPDHXFCSA-N 1 1 275.440 3.019 20 30 CGEDMO COC(=O)[C@]12CCC[C@H]1[N@H+]([C@H](C)c1cccc(C#N)c1)CC2 ZINC000880182950 635930356 /nfs/dbraw/zinc/93/03/56/635930356.db2.gz GDEDBYLDOGKUQG-QBIMZIAESA-N 1 1 298.386 3.037 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](c2nccs2)C1 ZINC000880319184 635973824 /nfs/dbraw/zinc/97/38/24/635973824.db2.gz CCVWXNQHZJZMKR-CQSZACIVSA-N 1 1 299.399 3.013 20 30 CGEDMO C=C1CCC(C(=O)N2CC[N@@H+](C)Cc3ccccc32)CC1 ZINC000888810882 635981791 /nfs/dbraw/zinc/98/17/91/635981791.db2.gz GBLGFWBKAYMSPY-UHFFFAOYSA-N 1 1 284.403 3.211 20 30 CGEDMO C=C1CCC(C(=O)N2CC[N@H+](C)Cc3ccccc32)CC1 ZINC000888810882 635981797 /nfs/dbraw/zinc/98/17/97/635981797.db2.gz GBLGFWBKAYMSPY-UHFFFAOYSA-N 1 1 284.403 3.211 20 30 CGEDMO C[C@H]1c2sccc2CC[N@@H+]1CCCSCC#N ZINC000880377984 635989080 /nfs/dbraw/zinc/98/90/80/635989080.db2.gz KPUYOTTYNWVLMJ-NSHDSACASA-N 1 1 266.435 3.314 20 30 CGEDMO C=CC[N@H+](Cc1cc(F)c(OC)cc1OC)C(C)C ZINC000845903054 636117428 /nfs/dbraw/zinc/11/74/28/636117428.db2.gz BNXSMRPIHAFVRT-UHFFFAOYSA-N 1 1 267.344 3.239 20 30 CGEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000846107879 636144688 /nfs/dbraw/zinc/14/46/88/636144688.db2.gz MBBIVILXQJDJRW-CYBMUJFWSA-N 1 1 256.340 3.438 20 30 CGEDMO C#CC[N@@H+](CC)Cc1ccc(OCc2ccccc2)nc1 ZINC000846810454 636247867 /nfs/dbraw/zinc/24/78/67/636247867.db2.gz CTEAAKXPTZSAQG-UHFFFAOYSA-N 1 1 280.371 3.116 20 30 CGEDMO C#CC[N@H+](CC)Cc1ccc(OCc2ccccc2)nc1 ZINC000846810454 636247872 /nfs/dbraw/zinc/24/78/72/636247872.db2.gz CTEAAKXPTZSAQG-UHFFFAOYSA-N 1 1 280.371 3.116 20 30 CGEDMO C=CCCC[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000882234043 636294522 /nfs/dbraw/zinc/29/45/22/636294522.db2.gz FXUHGGUKXFWSHA-DLBZAZTESA-N 1 1 286.419 3.152 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(OC)c2)C1 ZINC000847019985 636312627 /nfs/dbraw/zinc/31/26/27/636312627.db2.gz ULZCECXYXUJEIT-GFCCVEGCSA-N 1 1 263.768 3.194 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000847022730 636313479 /nfs/dbraw/zinc/31/34/79/636313479.db2.gz JNGNOKZATNQBPN-HNNXBMFYSA-N 1 1 295.386 3.014 20 30 CGEDMO C#C[C@H]1CCC[N@H+]([C@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000847026833 636317321 /nfs/dbraw/zinc/31/73/21/636317321.db2.gz HTNCAOLHIWBCND-KGLIPLIRSA-N 1 1 281.359 3.143 20 30 CGEDMO CC(C)c1c[nH]c(C[NH2+][C@H](C)c2ccc(C#N)cc2)n1 ZINC000882884465 636447529 /nfs/dbraw/zinc/44/75/29/636447529.db2.gz KKCIMRDGSQTCAO-GFCCVEGCSA-N 1 1 268.364 3.256 20 30 CGEDMO Clc1ccc(N=NC2CCC[N@H+]3CCCC[C@H]23)cn1 ZINC000848406962 636568648 /nfs/dbraw/zinc/56/86/48/636568648.db2.gz SWLYELHQPLFKLL-CYBMUJFWSA-N 1 1 278.787 3.151 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000848492910 636581184 /nfs/dbraw/zinc/58/11/84/636581184.db2.gz HPXAAQAMJIHBIY-AWEZNQCLSA-N 1 1 295.382 3.399 20 30 CGEDMO C[C@H]1C[C@@H]1C(N)=[NH+]OCc1ccccc1C(C)(C)C#N ZINC000848519081 636585916 /nfs/dbraw/zinc/58/59/16/636585916.db2.gz NCNCYZFWKGCUPW-AAEUAGOBSA-N 1 1 271.364 3.142 20 30 CGEDMO C#CC1([NH2+]Cc2ncc(C(F)(F)F)s2)CCCC1 ZINC000883362456 636703817 /nfs/dbraw/zinc/70/38/17/636703817.db2.gz DKGXXGGGHZRXSN-UHFFFAOYSA-N 1 1 274.311 3.198 20 30 CGEDMO C=CCC[N@H+](c1ccc(N2CCOCC2)cc1)C(C)C ZINC000132727341 636833958 /nfs/dbraw/zinc/83/39/58/636833958.db2.gz DFGKWMWYXSAMBB-UHFFFAOYSA-N 1 1 274.408 3.314 20 30 CGEDMO C=CCC[N@@H+](c1ccc(N2CCOCC2)cc1)C(C)C ZINC000132727341 636833963 /nfs/dbraw/zinc/83/39/63/636833963.db2.gz DFGKWMWYXSAMBB-UHFFFAOYSA-N 1 1 274.408 3.314 20 30 CGEDMO CC(C)C(N)=[NH+]OCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000133680181 636965918 /nfs/dbraw/zinc/96/59/18/636965918.db2.gz YQYRIRMZPLONHM-UHFFFAOYSA-N 1 1 293.754 3.440 20 30 CGEDMO C[NH+](C)[C@H]1CCC[C@H](NCc2ccc(C3(C#N)CC3)cc2)C1 ZINC000850172740 636973049 /nfs/dbraw/zinc/97/30/49/636973049.db2.gz DEIZCQZLPIMLAJ-ROUUACIJSA-N 1 1 297.446 3.204 20 30 CGEDMO CC[C@H]([NH2+]Cc1ccc(C#N)o1)c1ccccc1OC ZINC000135146091 637092531 /nfs/dbraw/zinc/09/25/31/637092531.db2.gz ZQXUYUOAQQKTNE-HNNXBMFYSA-N 1 1 270.332 3.401 20 30 CGEDMO C=CCOCCC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000850532010 637109474 /nfs/dbraw/zinc/10/94/74/637109474.db2.gz PJTFUYQQTVMNMG-NSHDSACASA-N 1 1 269.772 3.289 20 30 CGEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@@H]2c2ccccc2)CCC1 ZINC000885929767 637317154 /nfs/dbraw/zinc/31/71/54/637317154.db2.gz ULMLFBZYIZARIU-DLBZAZTESA-N 1 1 284.403 3.268 20 30 CGEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@H]2C2CCCC2)CCC1 ZINC000885963960 637335276 /nfs/dbraw/zinc/33/52/76/637335276.db2.gz UATQNHZWCAWHBK-CVEARBPZSA-N 1 1 276.424 3.086 20 30 CGEDMO CC(C)C[N@@H+](C[C@H](O)CC1(C#N)CCC1)C1CCCC1 ZINC000885970685 637337989 /nfs/dbraw/zinc/33/79/89/637337989.db2.gz HJESJNHRQMQSQW-MRXNPFEDSA-N 1 1 278.440 3.332 20 30 CGEDMO CC[C@H](C)[C@H](C)[N@@H+](C[C@H](O)CC1(C#N)CCC1)C1CC1 ZINC000885989284 637344288 /nfs/dbraw/zinc/34/42/88/637344288.db2.gz ZYDBARRLUDDJEL-OFQRWUPVSA-N 1 1 278.440 3.330 20 30 CGEDMO CC[C@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886010852 637359342 /nfs/dbraw/zinc/35/93/42/637359342.db2.gz QOCAONAUAMETKB-WMZOPIPTSA-N 1 1 298.430 3.441 20 30 CGEDMO CC[C@@H]1CCCCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886019310 637368280 /nfs/dbraw/zinc/36/82/80/637368280.db2.gz QGLMQKGUUFHPHX-HUUCEWRRSA-N 1 1 264.413 3.086 20 30 CGEDMO Cc1n[nH]c(C[NH2+][C@@H](CCC#N)c2ccccc2)c1C ZINC000886040812 637380801 /nfs/dbraw/zinc/38/08/01/637380801.db2.gz DOVFACFVNUJONP-HNNXBMFYSA-N 1 1 268.364 3.161 20 30 CGEDMO CC(C)(C)[C@@H]1CCC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886184016 637451525 /nfs/dbraw/zinc/45/15/25/637451525.db2.gz RZHSEODEIZIVJQ-CABCVRRESA-N 1 1 278.440 3.189 20 30 CGEDMO CSc1ccc(C[NH2+]Cc2oc(C)nc2C)cc1C#N ZINC000886277402 637480067 /nfs/dbraw/zinc/48/00/67/637480067.db2.gz PMZDQLWTPJWEOL-UHFFFAOYSA-N 1 1 287.388 3.175 20 30 CGEDMO CO[C@@H](C[N@@H+](CCC#N)CC(C)C)C1CCCC1 ZINC000851778309 637498497 /nfs/dbraw/zinc/49/84/97/637498497.db2.gz GOEFFRZTACQELN-HNNXBMFYSA-N 1 1 252.402 3.063 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2ncc(-c3ccccc3C)o2)C1 ZINC000886357289 637511596 /nfs/dbraw/zinc/51/15/96/637511596.db2.gz DWIIZAIABIYFAC-HNNXBMFYSA-N 1 1 280.371 3.495 20 30 CGEDMO C#CC[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccccc2C(C)C)C1 ZINC000886355715 637511834 /nfs/dbraw/zinc/51/18/34/637511834.db2.gz MPQHXXMUOSWZSM-HOTGVXAUSA-N 1 1 298.430 3.482 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2OC(F)F)C1 ZINC000852216333 637619139 /nfs/dbraw/zinc/61/91/39/637619139.db2.gz ZVUAJQHDSJSSIO-NSHDSACASA-N 1 1 283.293 3.272 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc(F)ccc2OC(F)F)C1 ZINC000852216333 637619145 /nfs/dbraw/zinc/61/91/45/637619145.db2.gz ZVUAJQHDSJSSIO-NSHDSACASA-N 1 1 283.293 3.272 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@H](CC#N)C2)ccc1N(C)C ZINC000852319620 637632770 /nfs/dbraw/zinc/63/27/70/637632770.db2.gz QHUXHSXUVCTIDV-OAHLLOKOSA-N 1 1 271.408 3.187 20 30 CGEDMO C[C@@]1(C[N@H+]2CCC[C@H](CC#N)C2)CC1(Cl)Cl ZINC000852319736 637633608 /nfs/dbraw/zinc/63/36/08/637633608.db2.gz RFBCXIUSHYSINE-MNOVXSKESA-N 1 1 261.196 3.196 20 30 CGEDMO CCC(CC)C[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852332173 637635565 /nfs/dbraw/zinc/63/55/65/637635565.db2.gz QYMYDOSJTKYCHL-KRWDZBQOSA-N 1 1 271.408 3.375 20 30 CGEDMO C#CCC[N@@H+](Cc1ccccc1)[C@@H]1COC(C)(C)C1 ZINC000852342792 637638104 /nfs/dbraw/zinc/63/81/04/637638104.db2.gz KFFDGUOTQIQORU-INIZCTEOSA-N 1 1 257.377 3.079 20 30 CGEDMO C=CC[C@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000852408837 637647155 /nfs/dbraw/zinc/64/71/55/637647155.db2.gz BMXRMAGXOGEOFX-ZDUSSCGKSA-N 1 1 258.340 3.485 20 30 CGEDMO C[C@H]([NH2+]Cc1cc(C2CC2)no1)c1ccc(C#N)c(F)c1 ZINC000886684223 637650899 /nfs/dbraw/zinc/65/08/99/637650899.db2.gz HTMAQGKBRMPJLJ-JTQLQIEISA-N 1 1 285.322 3.414 20 30 CGEDMO CSc1ccc(C[NH2+][C@H](C)c2nccnc2C)cc1C#N ZINC000886690319 637655001 /nfs/dbraw/zinc/65/50/01/637655001.db2.gz UGCYZUJCSCONNJ-GFCCVEGCSA-N 1 1 298.415 3.229 20 30 CGEDMO N#Cc1ccc([C@H](O)C[N@H+]2CC[C@H](C3CCCCC3)C2)cc1 ZINC000852488805 637662439 /nfs/dbraw/zinc/66/24/39/637662439.db2.gz AVGRFHFIYHZQRX-RBUKOAKNSA-N 1 1 298.430 3.494 20 30 CGEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H](C3CCC3)C2)cc1 ZINC000852673776 637693163 /nfs/dbraw/zinc/69/31/63/637693163.db2.gz LRXZRWSCIHIGLS-MSOLQXFVSA-N 1 1 284.403 3.104 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)c1ccccc1C ZINC000852686225 637695245 /nfs/dbraw/zinc/69/52/45/637695245.db2.gz QZEGXNMRCZFBIL-UXLLHSPISA-N 1 1 257.377 3.211 20 30 CGEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](O)c1ccccc1 ZINC000852688319 637696593 /nfs/dbraw/zinc/69/65/93/637696593.db2.gz SJKVOPOUFAZNTB-BBWFWOEESA-N 1 1 257.377 3.293 20 30 CGEDMO Clc1ccccc1C#CC[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886816213 637702932 /nfs/dbraw/zinc/70/29/32/637702932.db2.gz PIJYCMJGRDLLMD-WBVHZDCISA-N 1 1 289.806 3.192 20 30 CGEDMO N#CC1(CC[N@H+]2CC[C@H]([C@H]3CCCO3)C2)CCCCC1 ZINC000886818920 637706037 /nfs/dbraw/zinc/70/60/37/637706037.db2.gz LSMUKPSWJLWCMD-JKSUJKDBSA-N 1 1 276.424 3.351 20 30 CGEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886822233 637707876 /nfs/dbraw/zinc/70/78/76/637707876.db2.gz OAOPWVJHYHXSGN-KBRIMQKVSA-N 1 1 270.376 3.120 20 30 CGEDMO COCC[N@@H+](CCCC#N)Cc1ccc(C)c(C)c1 ZINC000887108638 637752578 /nfs/dbraw/zinc/75/25/78/637752578.db2.gz PHRRLKGKBABEMU-UHFFFAOYSA-N 1 1 260.381 3.056 20 30 CGEDMO C=CC[C@@H](Nc1ccc([NH+]2CCCC2)cc1C)C(=O)OC ZINC000887308979 637793079 /nfs/dbraw/zinc/79/30/79/637793079.db2.gz HKSTVIVAUGUBLW-MRXNPFEDSA-N 1 1 288.391 3.125 20 30 CGEDMO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@H](N)C12CCC2 ZINC000925687966 638568848 /nfs/dbraw/zinc/56/88/48/638568848.db2.gz CZLBEDUVVZCOEP-BRWVUGGUSA-N 1 1 270.420 3.033 20 30 CGEDMO N#Cc1csc(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)n1 ZINC000858320783 638680977 /nfs/dbraw/zinc/68/09/77/638680977.db2.gz IVRRKOJQWCDUPN-CYBMUJFWSA-N 1 1 289.791 3.445 20 30 CGEDMO C=C(C)[C@@H]([NH2+][C@@H](C)c1cnnn1C)c1ccc(F)c(F)c1 ZINC000926205838 638740852 /nfs/dbraw/zinc/74/08/52/638740852.db2.gz ILSYRYXYNLYUBR-ZUZCIYMTSA-N 1 1 292.333 3.061 20 30 CGEDMO C[C@H]([NH2+][C@@H]1CCCc2cccnc21)c1cccc(C#N)c1O ZINC000927062680 638836721 /nfs/dbraw/zinc/83/67/21/638836721.db2.gz OFQFZFUCSTWYEE-BLLLJJGKSA-N 1 1 293.370 3.387 20 30 CGEDMO C[C@H]([NH2+]Cc1cc(C2CC2)n(C)n1)c1ccc(C#N)cc1 ZINC000927112105 638843496 /nfs/dbraw/zinc/84/34/96/638843496.db2.gz IWJMPUSNGYQSTG-LBPRGKRZSA-N 1 1 280.375 3.020 20 30 CGEDMO C[N@@H+](CCOc1ccc(F)cc1)CC1CCC(C#N)CC1 ZINC000929095004 638897805 /nfs/dbraw/zinc/89/78/05/638897805.db2.gz KFAVPCVIENXYKW-UHFFFAOYSA-N 1 1 290.382 3.466 20 30 CGEDMO C=CC[N@H+](Cc1ccc(Cl)s1)C(COC)COC ZINC000929129082 638901004 /nfs/dbraw/zinc/90/10/04/638901004.db2.gz GSKUAJDSKXACDJ-UHFFFAOYSA-N 1 1 289.828 3.051 20 30 CGEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C(COC)COC ZINC000929129082 638901005 /nfs/dbraw/zinc/90/10/05/638901005.db2.gz GSKUAJDSKXACDJ-UHFFFAOYSA-N 1 1 289.828 3.051 20 30 CGEDMO C[C@@H](c1ccc(F)nc1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000929162974 638903997 /nfs/dbraw/zinc/90/39/97/638903997.db2.gz XXLCFRRCSOFJKG-LBPRGKRZSA-N 1 1 269.323 3.285 20 30 CGEDMO C[N@@H+](CCSc1ccncc1)Cc1ccc(C#N)cc1 ZINC000929162658 638904110 /nfs/dbraw/zinc/90/41/10/638904110.db2.gz QJQRDTIUERJKAU-UHFFFAOYSA-N 1 1 283.400 3.177 20 30 CGEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000929164911 638904139 /nfs/dbraw/zinc/90/41/39/638904139.db2.gz PECIUWYISZTVKU-UONOGXRCSA-N 1 1 298.308 3.100 20 30 CGEDMO CC[N@@H+](Cc1cncc(C#N)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000929332808 638919382 /nfs/dbraw/zinc/91/93/82/638919382.db2.gz KZYPJZPTUWLEOO-CQSZACIVSA-N 1 1 290.370 3.408 20 30 CGEDMO C[N@@H+](CC1CCC(C#N)CC1)C1Cc2ccccc2C1 ZINC000929337015 638920058 /nfs/dbraw/zinc/92/00/58/638920058.db2.gz KCSPAHZOKICTDC-UHFFFAOYSA-N 1 1 268.404 3.416 20 30 CGEDMO CC(C)(C)C[N@@H+](CCC#N)CCOC1CCSCC1 ZINC000929693610 638941806 /nfs/dbraw/zinc/94/18/06/638941806.db2.gz RKXGEQOPZOWKCO-UHFFFAOYSA-N 1 1 284.469 3.160 20 30 CGEDMO CC(C)(C)C[N@H+](CCC#N)CCOC1CCSCC1 ZINC000929693610 638941808 /nfs/dbraw/zinc/94/18/08/638941808.db2.gz RKXGEQOPZOWKCO-UHFFFAOYSA-N 1 1 284.469 3.160 20 30 CGEDMO C=CCN(Cc1cccs1)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000929696752 638942407 /nfs/dbraw/zinc/94/24/07/638942407.db2.gz OLSQDEQSEUMJBE-OAHLLOKOSA-N 1 1 292.448 3.136 20 30 CGEDMO CC(C)CC[N@H+](CCC#N)C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000929781700 638951376 /nfs/dbraw/zinc/95/13/76/638951376.db2.gz VFXKLYJYPRYAED-CHWSQXEVSA-N 1 1 292.345 3.358 20 30 CGEDMO CC(C)CC[N@@H+](CCC#N)C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000929781700 638951377 /nfs/dbraw/zinc/95/13/77/638951377.db2.gz VFXKLYJYPRYAED-CHWSQXEVSA-N 1 1 292.345 3.358 20 30 CGEDMO Cn1c2ccccc2nc1C[N@@H+](C)CC1CCC(C#N)CC1 ZINC000930017985 638968917 /nfs/dbraw/zinc/96/89/17/638968917.db2.gz XSDLBDTVDYHZAD-UHFFFAOYSA-N 1 1 296.418 3.335 20 30 CGEDMO Cc1cc(C2CC[NH+](CC3CCC(C#N)CC3)CC2)n[nH]1 ZINC000930175170 638979508 /nfs/dbraw/zinc/97/95/08/638979508.db2.gz RBRUXVAHEHOOPG-UHFFFAOYSA-N 1 1 286.423 3.228 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000930253718 638986645 /nfs/dbraw/zinc/98/66/45/638986645.db2.gz YTLRRVNMWCKLJC-KGLIPLIRSA-N 1 1 282.428 3.188 20 30 CGEDMO N#CC1(CCCC[N@H+]2CCC[C@@H]2c2cc[nH]n2)CCC1 ZINC000930264901 638986799 /nfs/dbraw/zinc/98/67/99/638986799.db2.gz TZNORUIDUXXUGY-OAHLLOKOSA-N 1 1 272.396 3.411 20 30 CGEDMO C[C@H]1C[N@@H+](CCCCC2(C#N)CCC2)C[C@H](C2CC2)O1 ZINC000930271287 638987333 /nfs/dbraw/zinc/98/73/33/638987333.db2.gz VUAQITBRFJCKSR-GOEBONIOSA-N 1 1 276.424 3.350 20 30 CGEDMO CO[C@@]1(C)CCC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000930271323 638987631 /nfs/dbraw/zinc/98/76/31/638987631.db2.gz WCCYIUZHMRXWAC-HNNXBMFYSA-N 1 1 264.413 3.351 20 30 CGEDMO CC[C@H]1C[N@@H+](Cc2c(C)cc(C#N)cc2C)CCCO1 ZINC000930318085 638990512 /nfs/dbraw/zinc/99/05/12/638990512.db2.gz ZVKIERVVBQRNKD-INIZCTEOSA-N 1 1 272.392 3.176 20 30 CGEDMO C=CC1(CC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCCCC1 ZINC000930368422 638993669 /nfs/dbraw/zinc/99/36/69/638993669.db2.gz KQFXNSDDWJZICB-OAHLLOKOSA-N 1 1 290.451 3.114 20 30 CGEDMO C#CC[N@@H+](CCOC1CCSCC1)Cc1ccccc1 ZINC000930476520 639006082 /nfs/dbraw/zinc/00/60/82/639006082.db2.gz RGJWZXZXAWMIRQ-UHFFFAOYSA-N 1 1 289.444 3.034 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000931063449 639106267 /nfs/dbraw/zinc/10/62/67/639106267.db2.gz SILOOMFVCXQTEQ-RBSFLKMASA-N 1 1 276.330 3.271 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000931063449 639106269 /nfs/dbraw/zinc/10/62/69/639106269.db2.gz SILOOMFVCXQTEQ-RBSFLKMASA-N 1 1 276.330 3.271 20 30 CGEDMO C#CCC[N@H+](CCOC)C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000931070672 639107279 /nfs/dbraw/zinc/10/72/79/639107279.db2.gz HYGKKXAZLVHLKB-HZPDHXFCSA-N 1 1 293.357 3.007 20 30 CGEDMO CC1(C)CC(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)C1 ZINC000859219458 639111606 /nfs/dbraw/zinc/11/16/06/639111606.db2.gz YTTAOAYAHWKRRH-KRWDZBQOSA-N 1 1 284.403 3.368 20 30 CGEDMO CC1(C)CC[C@@H](CO)[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000931102487 639112259 /nfs/dbraw/zinc/11/22/59/639112259.db2.gz GYEVVTWOROVDJW-HNNXBMFYSA-N 1 1 278.440 3.333 20 30 CGEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1 ZINC000859415036 639138211 /nfs/dbraw/zinc/13/82/11/639138211.db2.gz LTHRKVNBQLCNNO-JSGCOSHPSA-N 1 1 294.345 3.073 20 30 CGEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931464579 639155650 /nfs/dbraw/zinc/15/56/50/639155650.db2.gz BGZUZJCWPBQBQC-CYBMUJFWSA-N 1 1 280.375 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000859609847 639173422 /nfs/dbraw/zinc/17/34/22/639173422.db2.gz CDNIUCFEGUZGHL-CMPLNLGQSA-N 1 1 273.804 3.039 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000859609847 639173425 /nfs/dbraw/zinc/17/34/25/639173425.db2.gz CDNIUCFEGUZGHL-CMPLNLGQSA-N 1 1 273.804 3.039 20 30 CGEDMO CC(C)(C#N)CCC[N@H+]1C[C@@H]2COC[C@]2(c2ccccc2)C1 ZINC000931904724 639224755 /nfs/dbraw/zinc/22/47/55/639224755.db2.gz WABQFBBEUZKUTE-MJGOQNOKSA-N 1 1 298.430 3.216 20 30 CGEDMO N#Cc1cccc(C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c1 ZINC000931911687 639228058 /nfs/dbraw/zinc/22/80/58/639228058.db2.gz QAKGZPFGKMIUSM-CYBMUJFWSA-N 1 1 298.283 3.425 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931916655 639229625 /nfs/dbraw/zinc/22/96/25/639229625.db2.gz UVKZRNZJDXAITM-JTQLQIEISA-N 1 1 251.267 3.319 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)C1 ZINC000859929365 639256373 /nfs/dbraw/zinc/25/63/73/639256373.db2.gz YMJIGYNPZCLGLW-QRIFCXAISA-N 1 1 266.388 3.414 20 30 CGEDMO C[C@H]1CC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCO1 ZINC000932337465 639315624 /nfs/dbraw/zinc/31/56/24/639315624.db2.gz SMZBSLIIJISMOX-ZDUSSCGKSA-N 1 1 297.320 3.168 20 30 CGEDMO C[C@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CCO1 ZINC000932337465 639315632 /nfs/dbraw/zinc/31/56/32/639315632.db2.gz SMZBSLIIJISMOX-ZDUSSCGKSA-N 1 1 297.320 3.168 20 30 CGEDMO C#CC[N@H+](Cc1coc(-c2ccccc2)n1)C(C)C ZINC000932391525 639325383 /nfs/dbraw/zinc/32/53/83/639325383.db2.gz IPHAGCRGAJMUGW-UHFFFAOYSA-N 1 1 254.333 3.185 20 30 CGEDMO C#CC[N@@H+](Cc1coc(-c2ccccc2)n1)C(C)C ZINC000932391525 639325392 /nfs/dbraw/zinc/32/53/92/639325392.db2.gz IPHAGCRGAJMUGW-UHFFFAOYSA-N 1 1 254.333 3.185 20 30 CGEDMO CC(C)C[N@@H+](CCCSCC#N)Cc1ccccn1 ZINC000932444552 639332319 /nfs/dbraw/zinc/33/23/19/639332319.db2.gz CGRVXXOYXRYXOZ-UHFFFAOYSA-N 1 1 277.437 3.186 20 30 CGEDMO C=CCCCCC[N@H+]1CCn2c(cnc2C(F)(F)F)C1 ZINC000932580494 639359820 /nfs/dbraw/zinc/35/98/20/639359820.db2.gz UFMLISZAITWNBQ-UHFFFAOYSA-N 1 1 287.329 3.464 20 30 CGEDMO C#CCCCCC[N@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933089575 639415392 /nfs/dbraw/zinc/41/53/92/639415392.db2.gz UDQKSVUEXVXWJA-QGZVFWFLSA-N 1 1 263.425 3.319 20 30 CGEDMO C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)Cc1cccc(=O)[nH]1 ZINC000933400114 639446008 /nfs/dbraw/zinc/44/60/08/639446008.db2.gz IWHWBRZKFFFUMU-UHFFFAOYSA-N 1 1 295.386 3.220 20 30 CGEDMO N#Cc1ccc([C@H]2C[N@H+](Cc3cccs3)CCO2)cc1 ZINC000933628628 639472405 /nfs/dbraw/zinc/47/24/05/639472405.db2.gz LKUQWZOEGMLMCR-MRXNPFEDSA-N 1 1 284.384 3.193 20 30 CGEDMO N#Cc1ccc([C@H]2C[N@@H+](Cc3cccs3)CCO2)cc1 ZINC000933628628 639472410 /nfs/dbraw/zinc/47/24/10/639472410.db2.gz LKUQWZOEGMLMCR-MRXNPFEDSA-N 1 1 284.384 3.193 20 30 CGEDMO O=C1C=COC2(CC[NH+](Cc3cccc(Cl)c3)CC2)C1 ZINC000933645978 639473458 /nfs/dbraw/zinc/47/34/58/639473458.db2.gz AAVIHCSOQSHOKF-UHFFFAOYSA-N 1 1 291.778 3.178 20 30 CGEDMO C[N@@H+](CC[C@@H]1CCCCO1)Cc1cc(C#N)cs1 ZINC000933771722 639487530 /nfs/dbraw/zinc/48/75/30/639487530.db2.gz UHLGZUOGDXJMDH-ZDUSSCGKSA-N 1 1 264.394 3.011 20 30 CGEDMO C[N@@H+](CC[C@H]1CCCCO1)Cc1cc(C#N)cs1 ZINC000933771720 639487883 /nfs/dbraw/zinc/48/78/83/639487883.db2.gz UHLGZUOGDXJMDH-CYBMUJFWSA-N 1 1 264.394 3.011 20 30 CGEDMO C[N@@H+](CCCC(C)(C)C#N)Cc1cc(C#N)cs1 ZINC000933777113 639488809 /nfs/dbraw/zinc/48/88/09/639488809.db2.gz FJOWUVCQCJZFSS-UHFFFAOYSA-N 1 1 261.394 3.382 20 30 CGEDMO N#CC1(CCC[N@@H+](Cc2ccoc2)C2CC2)CCOCC1 ZINC000934004443 639522064 /nfs/dbraw/zinc/52/20/64/639522064.db2.gz PJGWJBJCYYPRNO-UHFFFAOYSA-N 1 1 288.391 3.345 20 30 CGEDMO COc1ccc([C@H]2CCC[N@H+]2CCC(C)(C)C#N)nc1 ZINC000934343754 639591377 /nfs/dbraw/zinc/59/13/77/639591377.db2.gz ONAQWZCSMINUEU-OAHLLOKOSA-N 1 1 273.380 3.167 20 30 CGEDMO C=CCCC[N@H+](CC)C[C@H](O)c1ccc(F)cc1 ZINC000934651750 639650597 /nfs/dbraw/zinc/65/05/97/639650597.db2.gz UFKQGPXYYROHAG-HNNXBMFYSA-N 1 1 251.345 3.147 20 30 CGEDMO C=C(C)c1cccc(NC(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c1 ZINC000934883913 639700737 /nfs/dbraw/zinc/70/07/37/639700737.db2.gz COOPVZIXTHXHNJ-OKILXGFUSA-N 1 1 287.407 3.276 20 30 CGEDMO NC(=[NH+]OCc1coc(-c2ccccc2)n1)C1CCCC1 ZINC000047272701 640007779 /nfs/dbraw/zinc/00/77/79/640007779.db2.gz CIGRBFJCHHIEAW-UHFFFAOYSA-N 1 1 285.347 3.321 20 30 CGEDMO COc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)c(O)cc1C ZINC000159771996 640068182 /nfs/dbraw/zinc/06/81/82/640068182.db2.gz NFVIBTWFOGNMLV-UHFFFAOYSA-N 1 1 296.370 3.213 20 30 CGEDMO CCc1nc(CO[NH+]=C(N)CCc2ccccc2)cs1 ZINC000049322486 640089441 /nfs/dbraw/zinc/08/94/41/640089441.db2.gz KAUXZPDVJBZKMT-UHFFFAOYSA-N 1 1 289.404 3.127 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000192043016 640346789 /nfs/dbraw/zinc/34/67/89/640346789.db2.gz GDAUQQDGMZVGRA-KRWDZBQOSA-N 1 1 282.472 3.144 20 30 CGEDMO CCC(CC)[C@@H](CNC(=[NH2+])Nc1cccc(C)c1)N(C)C ZINC000303793095 640843799 /nfs/dbraw/zinc/84/37/99/640843799.db2.gz YZRPUBPNZDKPHR-MRXNPFEDSA-N 1 1 290.455 3.088 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2sccc2F)C1 ZINC001007281420 640855012 /nfs/dbraw/zinc/85/50/12/640855012.db2.gz RMMRTWCRBKRTDG-GFCCVEGCSA-N 1 1 296.411 3.048 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001007369288 640940283 /nfs/dbraw/zinc/94/02/83/640940283.db2.gz VADAWXGRRFVCLW-ARFHVFGLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2ccsc2C)C1 ZINC001007285629 640940299 /nfs/dbraw/zinc/94/02/99/640940299.db2.gz JPXJGGRKGUWNSN-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001007330996 640940700 /nfs/dbraw/zinc/94/07/00/640940700.db2.gz IIPLHQNNFYHLEL-CVEARBPZSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001007331288 640940710 /nfs/dbraw/zinc/94/07/10/640940710.db2.gz IIPLHQNNFYHLEL-HZPDHXFCSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC001008221701 640948264 /nfs/dbraw/zinc/94/82/64/640948264.db2.gz ZTFFJKZGQGFPAN-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001009105735 640956608 /nfs/dbraw/zinc/95/66/08/640956608.db2.gz SLQBBIGJALOLCC-HOTGVXAUSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)c(C)s2)C1 ZINC001009448203 640959200 /nfs/dbraw/zinc/95/92/00/640959200.db2.gz KFKPASPJZOOWHJ-AWEZNQCLSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001009604409 640959886 /nfs/dbraw/zinc/95/98/86/640959886.db2.gz TZPPDMDYNSDSMK-SJLPKXTDSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2c(C)oc3ccccc32)C1 ZINC001014540377 640974319 /nfs/dbraw/zinc/97/43/19/640974319.db2.gz BJIGJLRSOMRGTN-AWEZNQCLSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC)s2)C1 ZINC001015139446 640978243 /nfs/dbraw/zinc/97/82/43/640978243.db2.gz HNHZUEOYBKNBDG-CYBMUJFWSA-N 1 1 292.448 3.081 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2(C)CCCCC2)C1 ZINC001015649547 640982442 /nfs/dbraw/zinc/98/24/42/640982442.db2.gz AMHASZHYVOGPQK-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2C)C1 ZINC001015649382 640982933 /nfs/dbraw/zinc/98/29/33/640982933.db2.gz UJZPRVGEMLIOBK-AWEZNQCLSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)CC2CCCCCC2)C1 ZINC001015760146 640985759 /nfs/dbraw/zinc/98/57/59/640985759.db2.gz LGRNQPSWHBQGBC-INIZCTEOSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CC[N@H+]1CC[C@H](NC(=O)c2cccc(C3CCCC3)c2)C1 ZINC001015995103 640989283 /nfs/dbraw/zinc/98/92/83/640989283.db2.gz OIYJJAHUTWSZRM-SFHVURJKSA-N 1 1 298.430 3.334 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001016361920 640996584 /nfs/dbraw/zinc/99/65/84/640996584.db2.gz JDEXXHCYRPKDIY-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CCCCC2(C)C)C1 ZINC001016424750 640999386 /nfs/dbraw/zinc/99/93/86/640999386.db2.gz NNAXCYDXEFLNOB-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001016431617 640999425 /nfs/dbraw/zinc/99/94/25/640999425.db2.gz SLDGHYMQZAOXLR-CQSZACIVSA-N 1 1 292.467 3.215 20 30 CGEDMO COc1ccc(C[N@H+](C)Cc2ccc(C#N)s2)cc1F ZINC000119621282 641042644 /nfs/dbraw/zinc/04/26/44/641042644.db2.gz NMEGLMJGBQAYEF-UHFFFAOYSA-N 1 1 290.363 3.399 20 30 CGEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)s2)cc1F ZINC000119621282 641042648 /nfs/dbraw/zinc/04/26/48/641042648.db2.gz NMEGLMJGBQAYEF-UHFFFAOYSA-N 1 1 290.363 3.399 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)CCCCC ZINC001155653706 805599850 /nfs/dbraw/zinc/59/98/50/805599850.db2.gz BYLMVQZKYNKWHJ-JKSUJKDBSA-N 1 1 280.456 3.053 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)CC[C@H](C)CC ZINC001155989116 805637486 /nfs/dbraw/zinc/63/74/86/805637486.db2.gz RUXXZXPKXFZLAQ-TZMCWYRMSA-N 1 1 288.863 3.392 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)CC[C@H](C)CC ZINC001155989116 805637490 /nfs/dbraw/zinc/63/74/90/805637490.db2.gz RUXXZXPKXFZLAQ-TZMCWYRMSA-N 1 1 288.863 3.392 20 30 CGEDMO C=CC[C@@H]1N(C(=O)CC[N@H+]2CC[C@H](F)C2)CCCC1(C)C ZINC001156190853 805663876 /nfs/dbraw/zinc/66/38/76/805663876.db2.gz NHZSIMNVCFCULS-GJZGRUSLSA-N 1 1 296.430 3.014 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)C[C@H](CC)C(C)(C)C ZINC001156319430 805673783 /nfs/dbraw/zinc/67/37/83/805673783.db2.gz VLUABXNGXKIPPX-CABCVRRESA-N 1 1 282.472 3.461 20 30 CGEDMO C=CCC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(F)cc1C ZINC001156501737 805705155 /nfs/dbraw/zinc/70/51/55/805705155.db2.gz INTXICOSDAWDML-CQSZACIVSA-N 1 1 292.398 3.150 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(Cl)s1 ZINC001156739702 805728865 /nfs/dbraw/zinc/72/88/65/805728865.db2.gz FLHRSLPOHZHJLG-SNVBAGLBSA-N 1 1 286.828 3.028 20 30 CGEDMO C[C@@H]1CCCC[N@H+]1CCCNc1cc(Cl)cc(C#N)n1 ZINC001156929295 805756218 /nfs/dbraw/zinc/75/62/18/805756218.db2.gz UIRANXNCAHPLAW-GFCCVEGCSA-N 1 1 292.814 3.283 20 30 CGEDMO C#CC[N@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)CCCCC ZINC001157041615 805768131 /nfs/dbraw/zinc/76/81/31/805768131.db2.gz PXJIPEALJNYKFL-CVEARBPZSA-N 1 1 280.456 3.053 20 30 CGEDMO CC#CC[N@H+](CC)[C@H](C)CNC(=O)C1(C)CCC(C)CC1 ZINC001157203218 805789422 /nfs/dbraw/zinc/78/94/22/805789422.db2.gz CBCNQRPVIFLMRH-UPTPFMHGSA-N 1 1 292.467 3.053 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@H]1CCCCN1C(=O)c1ccco1 ZINC001157449595 805813186 /nfs/dbraw/zinc/81/31/86/805813186.db2.gz AYFHVTMJPQAIHF-OAHLLOKOSA-N 1 1 290.407 3.172 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)CCCC ZINC001157555446 805834753 /nfs/dbraw/zinc/83/47/53/805834753.db2.gz QYUUCRMQOAHEJJ-MRXNPFEDSA-N 1 1 280.456 3.456 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC1(C)C ZINC001157818330 805877851 /nfs/dbraw/zinc/87/78/51/805877851.db2.gz IQAPXRDEFUCHJH-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)/C=C(/C)CC ZINC001157924936 805905533 /nfs/dbraw/zinc/90/55/33/805905533.db2.gz IAGXIQCPHOUDLN-UVQBRAAOSA-N 1 1 278.440 3.232 20 30 CGEDMO C=C(Cl)C[N@H+](C)C[C@H]1CCCCN1C(=O)CC1(C)CC1 ZINC001158233676 805929433 /nfs/dbraw/zinc/92/94/33/805929433.db2.gz RIIQBPLCWHQJEC-CQSZACIVSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C(Cl)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CC1(C)CC1 ZINC001158233676 805929438 /nfs/dbraw/zinc/92/94/38/805929438.db2.gz RIIQBPLCWHQJEC-CQSZACIVSA-N 1 1 298.858 3.242 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC1CC1 ZINC001158376844 805947588 /nfs/dbraw/zinc/94/75/88/805947588.db2.gz CPVVRVFGXWLBBM-DOTOQJQBSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1C[N@H+](C)CCC ZINC001158377784 805947994 /nfs/dbraw/zinc/94/79/94/805947994.db2.gz PAOVKCJYZHOMAD-JKSUJKDBSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC12CCC2 ZINC001158529131 805962486 /nfs/dbraw/zinc/96/24/86/805962486.db2.gz ICMCSTGRIRYIMZ-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H](CCC)C(C)C ZINC001158540807 805963603 /nfs/dbraw/zinc/96/36/03/805963603.db2.gz LPAJVMCYTNCDIL-IAGOWNOFSA-N 1 1 292.467 3.005 20 30 CGEDMO COc1ccc(C)[nH+]c1NC12CCC(C#N)(CC1)CC2 ZINC001158785246 806003164 /nfs/dbraw/zinc/00/31/64/806003164.db2.gz NFEFGJSYSHDZBQ-UHFFFAOYSA-N 1 1 271.364 3.427 20 30 CGEDMO CCc1nc(NC23CCC(C#N)(CC2)CC3)cc(C)[nH+]1 ZINC001158789075 806004604 /nfs/dbraw/zinc/00/46/04/806004604.db2.gz QXGCPGJJJHIHTB-UHFFFAOYSA-N 1 1 270.380 3.376 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CC[C@]2(CCCO2)C1 ZINC001252124142 806010561 /nfs/dbraw/zinc/01/05/61/806010561.db2.gz OXOWEWOFKAONGL-IAGOWNOFSA-N 1 1 283.456 3.353 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCC(=O)[C@@H](F)CC1 ZINC001252123609 806011550 /nfs/dbraw/zinc/01/15/50/806011550.db2.gz KDISNJWPUUOZKT-CABCVRRESA-N 1 1 287.419 3.101 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@@H+]1CCC(=O)[C@@H](F)CC1 ZINC001252123609 806011561 /nfs/dbraw/zinc/01/15/61/806011561.db2.gz KDISNJWPUUOZKT-CABCVRRESA-N 1 1 287.419 3.101 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC001252124889 806012896 /nfs/dbraw/zinc/01/28/96/806012896.db2.gz UXIWTOICWRUHSA-IAGOWNOFSA-N 1 1 283.456 3.210 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+]1CCn2cccc2C1 ZINC001252128372 806013615 /nfs/dbraw/zinc/01/36/15/806013615.db2.gz MJKCXMMZSYEKEM-KRWDZBQOSA-N 1 1 278.440 3.415 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCn2cccc2C1 ZINC001252128372 806013621 /nfs/dbraw/zinc/01/36/21/806013621.db2.gz MJKCXMMZSYEKEM-KRWDZBQOSA-N 1 1 278.440 3.415 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@H]2CN(C)C[C@@H]21 ZINC001252130418 806015375 /nfs/dbraw/zinc/01/53/75/806015375.db2.gz PZPMANZQEVDNEI-BZSNNMDCSA-N 1 1 296.499 3.124 20 30 CGEDMO CCCCCCCC[C@H](O)CN1CCC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001252130418 806015383 /nfs/dbraw/zinc/01/53/83/806015383.db2.gz PZPMANZQEVDNEI-BZSNNMDCSA-N 1 1 296.499 3.124 20 30 CGEDMO CCCCCCCC[C@H](O)CN1CCC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001252130418 806015391 /nfs/dbraw/zinc/01/53/91/806015391.db2.gz PZPMANZQEVDNEI-BZSNNMDCSA-N 1 1 296.499 3.124 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCC[C@@H](C(C)=O)C1 ZINC001252130233 806014940 /nfs/dbraw/zinc/01/49/40/806014940.db2.gz NWIJEXJHVKADBA-SJORKVTESA-N 1 1 283.456 3.399 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCC(=O)C(C)(C)C1 ZINC001252129644 806015572 /nfs/dbraw/zinc/01/55/72/806015572.db2.gz ACFPICAQDARCJX-OAHLLOKOSA-N 1 1 283.456 3.399 20 30 CGEDMO CCCCCCCC[C@@H](O)C[N@H+]1CCC[C@@H]1C(C)(C)O ZINC001252130851 806018106 /nfs/dbraw/zinc/01/81/06/806018106.db2.gz ZEVXZUHRMOWRST-HZPDHXFCSA-N 1 1 285.472 3.333 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1C[C@@H]2CCCN(C)[C@@H]2C1 ZINC001252132302 806018222 /nfs/dbraw/zinc/01/82/22/806018222.db2.gz FBWDZAQGBSEGCZ-OKZBNKHCSA-N 1 1 296.499 3.124 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H]1CCCCN1C(=O)C[C@@H](C)C1CC1 ZINC001158923155 806021873 /nfs/dbraw/zinc/02/18/73/806021873.db2.gz QOLHCFIHRZEOKN-NVXWUHKLSA-N 1 1 292.467 3.312 20 30 CGEDMO CS[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(OCC#N)cc2)C1 ZINC001252280436 806035025 /nfs/dbraw/zinc/03/50/25/806035025.db2.gz QIEHDCHAZNKEMO-HOCLYGCPSA-N 1 1 290.432 3.305 20 30 CGEDMO C=CCOC[C@H](O)C[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC001252465462 806048295 /nfs/dbraw/zinc/04/82/95/806048295.db2.gz GXTVJXVFHWJGKN-CZUORRHYSA-N 1 1 295.810 3.040 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1CCC[C@@H]1c1cc2ccccc2[nH]1 ZINC001252555323 806063334 /nfs/dbraw/zinc/06/33/34/806063334.db2.gz RTDNRUNJOCXKOJ-SJORKVTESA-N 1 1 270.376 3.242 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC001252555486 806063702 /nfs/dbraw/zinc/06/37/02/806063702.db2.gz WCGIFXNVNUGXMM-CABCVRRESA-N 1 1 265.784 3.414 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1CC[C@@H](c2ccccc2Cl)C1 ZINC001252554946 806064981 /nfs/dbraw/zinc/06/49/81/806064981.db2.gz NCRIPTJCIHNAAK-DOMZBBRYSA-N 1 1 265.784 3.066 20 30 CGEDMO C=C[C@](C)(O)C[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC001252558794 806066509 /nfs/dbraw/zinc/06/65/09/806066509.db2.gz JCISWUCSGAOQFK-ZFWWWQNUSA-N 1 1 265.784 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC=C(CCNC(=O)CCCCC)CC1 ZINC001159260653 806067222 /nfs/dbraw/zinc/06/72/22/806067222.db2.gz KKELSIKSOYQLDB-UHFFFAOYSA-N 1 1 278.440 3.281 20 30 CGEDMO C=CCC[C@H](O)C[N@H+](Cc1ccccc1)[C@H](C)c1cc[nH]n1 ZINC001252602927 806083157 /nfs/dbraw/zinc/08/31/57/806083157.db2.gz IDVAEULJWVTKES-WBVHZDCISA-N 1 1 299.418 3.300 20 30 CGEDMO C=CCC[C@H](O)C[N@@H+](Cc1ccccc1)[C@H](C)c1cc[nH]n1 ZINC001252602927 806083167 /nfs/dbraw/zinc/08/31/67/806083167.db2.gz IDVAEULJWVTKES-WBVHZDCISA-N 1 1 299.418 3.300 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)CC2=CCCCC2)CC1 ZINC001159569646 806124058 /nfs/dbraw/zinc/12/40/58/806124058.db2.gz KWWSIRIIFZYHSP-UHFFFAOYSA-N 1 1 288.435 3.201 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CCNC(=O)/C(C)=C\C)CC1 ZINC001159753939 806165186 /nfs/dbraw/zinc/16/51/86/806165186.db2.gz WLCCFEWFEXUIAS-WCSRMQSCSA-N 1 1 276.424 3.057 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1CC(=O)C2 ZINC001253235005 806188418 /nfs/dbraw/zinc/18/84/18/806188418.db2.gz HOOJGBRRNNIGFW-XHSDSOJGSA-N 1 1 279.424 3.070 20 30 CGEDMO C=CCCCCCC[C@@H](O)CNc1[nH+]cc(O)cc1C ZINC001253227004 806184552 /nfs/dbraw/zinc/18/45/52/806184552.db2.gz DJCDVDNSGHBTBV-CQSZACIVSA-N 1 1 278.396 3.395 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+](CC)CCN1CCCC1 ZINC001253238298 806189692 /nfs/dbraw/zinc/18/96/92/806189692.db2.gz CILJHRHUXXBMCD-GOSISDBHSA-N 1 1 296.499 3.292 20 30 CGEDMO C=CCCCCCC[C@@H](O)CN(CC)CC[NH+]1CCCC1 ZINC001253238298 806189696 /nfs/dbraw/zinc/18/96/96/806189696.db2.gz CILJHRHUXXBMCD-GOSISDBHSA-N 1 1 296.499 3.292 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@@H+](CC)CCn1cccn1 ZINC001253240178 806190905 /nfs/dbraw/zinc/19/09/05/806190905.db2.gz FXHQIEYDCSVKAD-QGZVFWFLSA-N 1 1 293.455 3.093 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001253241608 806192378 /nfs/dbraw/zinc/19/23/78/806192378.db2.gz YGUYDFNYILEZRX-IAGOWNOFSA-N 1 1 278.440 3.500 20 30 CGEDMO C=CCCCCCC[C@H](O)C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001253241613 806192672 /nfs/dbraw/zinc/19/26/72/806192672.db2.gz YGUYDFNYILEZRX-SJORKVTESA-N 1 1 278.440 3.500 20 30 CGEDMO C=CCCCCCC[C@@H](O)C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001253243486 806194028 /nfs/dbraw/zinc/19/40/28/806194028.db2.gz VTYGAUNYMCXYCM-KZNAEPCWSA-N 1 1 295.467 3.375 20 30 CGEDMO C=CC[N@@H+](C[C@H](O)CCOCc1ccccc1)C(C)(C)C ZINC001253279224 806201676 /nfs/dbraw/zinc/20/16/76/806201676.db2.gz FLZAWXOWMQBOAB-QGZVFWFLSA-N 1 1 291.435 3.241 20 30 CGEDMO Cc1[nH+]c(N[C@@H]2CCc3c2cccc3C#N)ccc1CC#N ZINC001159919440 806199435 /nfs/dbraw/zinc/19/94/35/806199435.db2.gz XJCBCGDPHFHZHY-QGZVFWFLSA-N 1 1 288.354 3.427 20 30 CGEDMO C#CC[N@H+](CC#Cc1cccc(Cl)c1)CC1CC1 ZINC001253563212 806259264 /nfs/dbraw/zinc/25/92/64/806259264.db2.gz MXXHKJHTGCUCKC-UHFFFAOYSA-N 1 1 257.764 3.037 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)[C@@](C)(F)CCCC)CC1 ZINC001160529336 806282338 /nfs/dbraw/zinc/28/23/38/806282338.db2.gz HIVXBSJGIOFISJ-KRWDZBQOSA-N 1 1 296.430 3.229 20 30 CGEDMO Cc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)[nH]n1 ZINC001253981308 806325532 /nfs/dbraw/zinc/32/55/32/806325532.db2.gz NAGLUBXYNQRUEM-UHFFFAOYSA-N 1 1 268.364 3.000 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNc1nccc(C)c1Cl ZINC001160953026 806326509 /nfs/dbraw/zinc/32/65/09/806326509.db2.gz NJICUUIEUYGVOT-LBPRGKRZSA-N 1 1 265.788 3.106 20 30 CGEDMO C#CCOc1ccccc1C[N@H+](C)[C@H]1CC[C@@H](SC)C1 ZINC001254018738 806331206 /nfs/dbraw/zinc/33/12/06/806331206.db2.gz OTCCHCVHGMSTSX-JKSUJKDBSA-N 1 1 289.444 3.415 20 30 CGEDMO C#CC[N@H+](Cc1ccc(OC)c(OCC(=C)C)c1)CC1CC1 ZINC001254039896 806333102 /nfs/dbraw/zinc/33/31/02/806333102.db2.gz JFSPNGMGXOBYEA-UHFFFAOYSA-N 1 1 299.414 3.495 20 30 CGEDMO CC1(C)CC[C@H](Nc2[nH+]ccc3[nH]cc(C#N)c32)C1 ZINC001161033946 806341058 /nfs/dbraw/zinc/34/10/58/806341058.db2.gz ULFSOTXRXUXHDZ-NSHDSACASA-N 1 1 254.337 3.425 20 30 CGEDMO C=CCCC[N@@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2CC)CC1 ZINC001161263473 806360612 /nfs/dbraw/zinc/36/06/12/806360612.db2.gz AGQRAUPFLZFHTA-IAGOWNOFSA-N 1 1 290.451 3.137 20 30 CGEDMO CC[N@H+](CCC#N)[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC001254200835 806362547 /nfs/dbraw/zinc/36/25/47/806362547.db2.gz AKGJLOIEDZCHFE-AWEZNQCLSA-N 1 1 295.427 3.012 20 30 CGEDMO CC[N@@H+](CCC#N)[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC001254200835 806362555 /nfs/dbraw/zinc/36/25/55/806362555.db2.gz AKGJLOIEDZCHFE-AWEZNQCLSA-N 1 1 295.427 3.012 20 30 CGEDMO C=CCC(C)(C)C(=O)NCCC1=CC[N@@H+](C(C)C)CC1 ZINC001161343978 806367128 /nfs/dbraw/zinc/36/71/28/806367128.db2.gz ZVWOSMFUZHALTB-UHFFFAOYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(Cl)C[N@H+]1CC=C(CCNC(=O)[C@@H](C)C(C)C)CC1 ZINC001161369045 806368527 /nfs/dbraw/zinc/36/85/27/806368527.db2.gz LUNKBQYENBJNAC-AWEZNQCLSA-N 1 1 298.858 3.169 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC=C(CCNC(=O)[C@@H](C)C(C)C)CC1 ZINC001161369045 806368537 /nfs/dbraw/zinc/36/85/37/806368537.db2.gz LUNKBQYENBJNAC-AWEZNQCLSA-N 1 1 298.858 3.169 20 30 CGEDMO C=CC[N@@H+]1CC=C(CCNC(=O)[C@H](CCC)C(C)C)CC1 ZINC001161356094 806368880 /nfs/dbraw/zinc/36/88/80/806368880.db2.gz AHFCZUYEZBPSJY-QGZVFWFLSA-N 1 1 292.467 3.383 20 30 CGEDMO CC[N@@H+](C)C1CCC(C#N)(c2ccc(F)cc2)CC1 ZINC001254352617 806383071 /nfs/dbraw/zinc/38/30/71/806383071.db2.gz BSERNIXYROFSHF-UHFFFAOYSA-N 1 1 260.356 3.481 20 30 CGEDMO C[C@H]([NH2+][C@H]1CCCC[C@H]1N(C)C)c1ccc(C#N)cc1F ZINC001254410534 806394080 /nfs/dbraw/zinc/39/40/80/806394080.db2.gz YMMXGFVJEPGMDM-AFAVFJNCSA-N 1 1 289.398 3.221 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1c1ccc(N[C@@H](CO)C(C)C)cc1 ZINC001161745210 806441534 /nfs/dbraw/zinc/44/15/34/806441534.db2.gz VDQLZZGJGCPSAH-ROUUACIJSA-N 1 1 288.435 3.438 20 30 CGEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](Oc3cc(F)ccc3F)C2)C1 ZINC001254669121 806479532 /nfs/dbraw/zinc/47/95/32/806479532.db2.gz ONZINZFRHUVTCV-KWCYVHTRSA-N 1 1 292.329 3.110 20 30 CGEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@H](OCc3ccccc3)C2)C1 ZINC001254670930 806481952 /nfs/dbraw/zinc/48/19/52/806481952.db2.gz NISRWIUWCVKBBM-KURKYZTESA-N 1 1 284.403 3.360 20 30 CGEDMO Cc1ccccc1O[C@H]1CC[N@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC001254670656 806482090 /nfs/dbraw/zinc/48/20/90/806482090.db2.gz KNKFPCJDPISLAY-JYJNAYRXSA-N 1 1 270.376 3.140 20 30 CGEDMO CN([C@H]1CC[C@@H](C#N)C1)C1CC[NH+](C2CCCCC2)CC1 ZINC001254677237 806485349 /nfs/dbraw/zinc/48/53/49/806485349.db2.gz RKSBJUAQXQZUFS-QAPCUYQASA-N 1 1 289.467 3.408 20 30 CGEDMO N#CC1(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC001255101061 806544350 /nfs/dbraw/zinc/54/43/50/806544350.db2.gz MFTBTZBQHNUFAP-KRWDZBQOSA-N 1 1 283.419 3.077 20 30 CGEDMO N#CC1CC(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255131437 806550267 /nfs/dbraw/zinc/55/02/67/806550267.db2.gz DPZYUIAVLUJOAY-DJPWPSDPSA-N 1 1 295.430 3.074 20 30 CGEDMO N#CC1CC(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255131437 806550274 /nfs/dbraw/zinc/55/02/74/806550274.db2.gz DPZYUIAVLUJOAY-DJPWPSDPSA-N 1 1 295.430 3.074 20 30 CGEDMO N#CC1CC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001255131437 806550283 /nfs/dbraw/zinc/55/02/83/806550283.db2.gz DPZYUIAVLUJOAY-DJPWPSDPSA-N 1 1 295.430 3.074 20 30 CGEDMO N#CC1CC(N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC001255131439 806550009 /nfs/dbraw/zinc/55/00/09/806550009.db2.gz DPZYUIAVLUJOAY-QHPSASCESA-N 1 1 295.430 3.074 20 30 CGEDMO N#CC1CC(N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC001255131439 806550018 /nfs/dbraw/zinc/55/00/18/806550018.db2.gz DPZYUIAVLUJOAY-QHPSASCESA-N 1 1 295.430 3.074 20 30 CGEDMO N#CC1CC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC001255131439 806550027 /nfs/dbraw/zinc/55/00/27/806550027.db2.gz DPZYUIAVLUJOAY-QHPSASCESA-N 1 1 295.430 3.074 20 30 CGEDMO CC[C@H](CC#N)[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC001255162760 806561265 /nfs/dbraw/zinc/56/12/65/806561265.db2.gz YGBVIKAWULBNLX-OAHLLOKOSA-N 1 1 276.355 3.113 20 30 CGEDMO CC[C@@H](CC#N)N1CCC2(CCC[N@H+]2CC2CC2)CC1 ZINC001255167755 806565509 /nfs/dbraw/zinc/56/55/09/806565509.db2.gz GYQNTYJLQKMEFU-INIZCTEOSA-N 1 1 275.440 3.019 20 30 CGEDMO CC[C@@H](CC#N)[N@H+]1CCC[C@H](NC(=O)OC(C)(C)C)CC1 ZINC001255172842 806567333 /nfs/dbraw/zinc/56/73/33/806567333.db2.gz GXFQMKAMHWKKOZ-KBPBESRZSA-N 1 1 295.427 3.058 20 30 CGEDMO C#CC1(Nc2[nH+]c(C)ccc2CC#N)CCCCC1 ZINC001162479438 806595728 /nfs/dbraw/zinc/59/57/28/806595728.db2.gz FHODCIMCAPRFLI-UHFFFAOYSA-N 1 1 253.349 3.204 20 30 CGEDMO C[C@]1(C#N)CC[N@@H+](C2CCC(C(F)(F)F)CC2)C1 ZINC001255521965 806660520 /nfs/dbraw/zinc/66/05/20/806660520.db2.gz KTWQVAVGSWXHBB-HTAVTVPLSA-N 1 1 260.303 3.343 20 30 CGEDMO C[C@]1(C#N)CC[N@H+](C2CCC(C(F)(F)F)CC2)C1 ZINC001255521965 806660522 /nfs/dbraw/zinc/66/05/22/806660522.db2.gz KTWQVAVGSWXHBB-HTAVTVPLSA-N 1 1 260.303 3.343 20 30 CGEDMO CS[C@H]1CC[C@@H]([N@@H+](C)Cc2ccccc2C#N)C1 ZINC000075920841 798924387 /nfs/dbraw/zinc/92/43/87/798924387.db2.gz FCHNSAWYSOSSAM-CABCVRRESA-N 1 1 260.406 3.274 20 30 CGEDMO CCCCC(N)=[NH+]OCc1cc(-c2ccc(F)cc2)no1 ZINC000149027138 799051756 /nfs/dbraw/zinc/05/17/56/799051756.db2.gz JTPXWPHVYZKKJW-UHFFFAOYSA-N 1 1 291.326 3.460 20 30 CGEDMO CC(C)[N@H+]1CC[C@H](Nc2cc(C#N)cc(Cl)n2)[C@H](C)C1 ZINC001163358599 806745802 /nfs/dbraw/zinc/74/58/02/806745802.db2.gz VFMPHNLGTIXDMO-YPMHNXCESA-N 1 1 292.814 3.137 20 30 CGEDMO C=C(Br)C[N@H+](C)[C@H]1CC[C@@H](SC)C1 ZINC000388294760 799451612 /nfs/dbraw/zinc/45/16/12/799451612.db2.gz ZINBDWYXSCTFHR-VHSXEESVSA-N 1 1 264.232 3.111 20 30 CGEDMO CC[C@H](CC#N)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388426274 799452839 /nfs/dbraw/zinc/45/28/39/799452839.db2.gz ZHJAGAXWDMKMRR-MSOLQXFVSA-N 1 1 285.435 3.275 20 30 CGEDMO CCCO[C@H]1CC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000701719388 799893939 /nfs/dbraw/zinc/89/39/39/799893939.db2.gz UJCBCRKMFJFHES-AWEZNQCLSA-N 1 1 278.783 3.213 20 30 CGEDMO CCCO[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000701719388 799893948 /nfs/dbraw/zinc/89/39/48/799893948.db2.gz UJCBCRKMFJFHES-AWEZNQCLSA-N 1 1 278.783 3.213 20 30 CGEDMO C[C@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000708719149 799994025 /nfs/dbraw/zinc/99/40/25/799994025.db2.gz JLNPOTKKBLZSEX-ZDUSSCGKSA-N 1 1 268.282 3.333 20 30 CGEDMO C#CCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000714970252 800129687 /nfs/dbraw/zinc/12/96/87/800129687.db2.gz WOKWWJZDJRKCII-VQTJNVASSA-N 1 1 296.458 3.386 20 30 CGEDMO C#CCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000714970252 800129691 /nfs/dbraw/zinc/12/96/91/800129691.db2.gz WOKWWJZDJRKCII-VQTJNVASSA-N 1 1 296.458 3.386 20 30 CGEDMO C#CCCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000714970252 800129695 /nfs/dbraw/zinc/12/96/95/800129695.db2.gz WOKWWJZDJRKCII-VQTJNVASSA-N 1 1 296.458 3.386 20 30 CGEDMO C#CCCCN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000714970252 800129699 /nfs/dbraw/zinc/12/96/99/800129699.db2.gz WOKWWJZDJRKCII-VQTJNVASSA-N 1 1 296.458 3.386 20 30 CGEDMO C=CC[C@H](C)[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000715039247 800129829 /nfs/dbraw/zinc/12/98/29/800129829.db2.gz LYUMLPOAINDYIA-UHOSZYNNSA-N 1 1 284.447 3.405 20 30 CGEDMO C=CC[C@H](C)[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000715039247 800129833 /nfs/dbraw/zinc/12/98/33/800129833.db2.gz LYUMLPOAINDYIA-UHOSZYNNSA-N 1 1 284.447 3.405 20 30 CGEDMO C=CC[C@H](C)[N@@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000715039247 800129835 /nfs/dbraw/zinc/12/98/35/800129835.db2.gz LYUMLPOAINDYIA-UHOSZYNNSA-N 1 1 284.447 3.405 20 30 CGEDMO C=CC[C@H](C)[N@H+]1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC000715039247 800129836 /nfs/dbraw/zinc/12/98/36/800129836.db2.gz LYUMLPOAINDYIA-UHOSZYNNSA-N 1 1 284.447 3.405 20 30 CGEDMO C=CCC1(O)CC[NH+](Cc2ccc(F)c(Cl)c2)CC1 ZINC000717451209 800201745 /nfs/dbraw/zinc/20/17/45/800201745.db2.gz KUDCWSVRPOBQPX-UHFFFAOYSA-N 1 1 283.774 3.382 20 30 CGEDMO CCCCCCCC[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000719069212 800231131 /nfs/dbraw/zinc/23/11/31/800231131.db2.gz XUIVFCDQQXGFFS-OAHLLOKOSA-N 1 1 269.429 3.432 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CCC3(C2)CCCCC3)c1 ZINC000721543198 800292523 /nfs/dbraw/zinc/29/25/23/800292523.db2.gz DLQUZGMDQDXCGC-UHFFFAOYSA-N 1 1 255.365 3.109 20 30 CGEDMO C#Cc1ccc(C[N@H+](CCOC)C(CC)CC)cc1 ZINC000809546391 800445476 /nfs/dbraw/zinc/44/54/76/800445476.db2.gz AQEGVRMJHKBGDA-UHFFFAOYSA-N 1 1 259.393 3.305 20 30 CGEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886829850 800547230 /nfs/dbraw/zinc/54/72/30/800547230.db2.gz IASKEFDLQDLIHK-KBRIMQKVSA-N 1 1 270.376 3.120 20 30 CGEDMO C#CC[N@H+](C)[C@@H](C)CCc1ccc(Br)cc1 ZINC001256226203 806851218 /nfs/dbraw/zinc/85/12/18/806851218.db2.gz NYCWFFHTCIOVBD-LBPRGKRZSA-N 1 1 280.209 3.335 20 30 CGEDMO C[C@]12CSC[C@H]1C[N@@H+](Cc1ccc(C#N)cc1Cl)C2 ZINC000934766541 800680361 /nfs/dbraw/zinc/68/03/61/800680361.db2.gz IAGZUJAJKOJPPQ-HIFRSBDPSA-N 1 1 292.835 3.397 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C)cc2)[C@H]1C ZINC000994292623 800696107 /nfs/dbraw/zinc/69/61/07/800696107.db2.gz YJUWUEHLZPQRRK-WBVHZDCISA-N 1 1 286.419 3.154 20 30 CGEDMO C=CC[N@H+]1CCC[C@H](CNC(=O)C2CCCCCCC2)C1 ZINC001023482398 800711873 /nfs/dbraw/zinc/71/18/73/800711873.db2.gz FIPMAHSFONADOE-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cscc1C ZINC001024376787 800725834 /nfs/dbraw/zinc/72/58/34/800725834.db2.gz AOLUQXDXDPQQHM-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1sccc1Cl ZINC001024453834 800728987 /nfs/dbraw/zinc/72/89/87/800728987.db2.gz RVXJRVWIPQMEDK-NSHDSACASA-N 1 1 298.839 3.172 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1sccc1Cl ZINC001024453834 800728990 /nfs/dbraw/zinc/72/89/90/800728990.db2.gz RVXJRVWIPQMEDK-NSHDSACASA-N 1 1 298.839 3.172 20 30 CGEDMO C=Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(=C)C)cc1 ZINC001024669047 800733707 /nfs/dbraw/zinc/73/37/07/800733707.db2.gz BANOLFKNYLOPOT-SFHVURJKSA-N 1 1 298.430 3.490 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1csc(C)c1 ZINC001024705568 800734806 /nfs/dbraw/zinc/73/48/06/800734806.db2.gz GJKHPQFCYMTDLA-OAHLLOKOSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001024771917 800735926 /nfs/dbraw/zinc/73/59/26/800735926.db2.gz MPZPGLALRCQETN-ULQDDVLXSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC(C)C ZINC001025191168 800746586 /nfs/dbraw/zinc/74/65/86/800746586.db2.gz FZGOHPHGZUUYMM-JKSUJKDBSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC1CC1 ZINC001025189512 800746748 /nfs/dbraw/zinc/74/67/48/800746748.db2.gz QOPSTHONNPTRDI-DLBZAZTESA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCC ZINC001025190926 800747471 /nfs/dbraw/zinc/74/74/71/800747471.db2.gz CVXVVMHIGLHCIY-CVEARBPZSA-N 1 1 278.440 3.208 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C(F)=C(C)C ZINC001025214794 800750175 /nfs/dbraw/zinc/75/01/75/800750175.db2.gz FJPVZGPTIKMBNH-HUUCEWRRSA-N 1 1 294.414 3.281 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)c2ccccc2)C1 ZINC001025315148 800755505 /nfs/dbraw/zinc/75/55/05/800755505.db2.gz ZEIIALDGOCCGAP-RDJZCZTQSA-N 1 1 286.419 3.093 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccsc2)C1 ZINC001025335261 800756143 /nfs/dbraw/zinc/75/61/43/800756143.db2.gz ALBOFHWPVZEYQV-KGLIPLIRSA-N 1 1 292.448 3.155 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)CC2(C)CCCC2)C1 ZINC001027397337 800793877 /nfs/dbraw/zinc/79/38/77/800793877.db2.gz XQJCLTRKPCONNZ-INIZCTEOSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2ccsc2C)C1 ZINC001027401487 800794800 /nfs/dbraw/zinc/79/48/00/800794800.db2.gz FDSAKJMTVVHLBF-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)C(=C)Cl)C1 ZINC001027424543 800795590 /nfs/dbraw/zinc/79/55/90/800795590.db2.gz AOPPHMAWVGMBBS-CQSZACIVSA-N 1 1 298.858 3.264 20 30 CGEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)CC2(C)CCCCC2)C1 ZINC001027488208 800798334 /nfs/dbraw/zinc/79/83/34/800798334.db2.gz OIGXKOLNNUZBLC-MRXNPFEDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C1CCC(C(=O)N2CCC[C@@H]([N@H+](C)C(C)C)C2)CC1 ZINC001027559401 800802795 /nfs/dbraw/zinc/80/27/95/800802795.db2.gz XEZVUSNWWLGKBR-MRXNPFEDSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001027563300 800802832 /nfs/dbraw/zinc/80/28/32/800802832.db2.gz IJMKXOJQWPHLMZ-HZPDHXFCSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccsc2Cl)C1 ZINC001027602501 800805359 /nfs/dbraw/zinc/80/53/59/800805359.db2.gz WGJUAHAXBCHUKB-NSHDSACASA-N 1 1 298.839 3.124 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C)CC2CCCC2)C1 ZINC001027602866 800805774 /nfs/dbraw/zinc/80/57/74/800805774.db2.gz GMUFBBVBNJPREX-WBVHZDCISA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(C)cc2C)C1 ZINC001027668928 800808477 /nfs/dbraw/zinc/80/84/77/800808477.db2.gz ZHDQMXGYFBTTKI-INIZCTEOSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(C)cc2)C1 ZINC001027660172 800808660 /nfs/dbraw/zinc/80/86/60/800808660.db2.gz HORCOKNEWAIYJX-QGZVFWFLSA-N 1 1 286.419 3.108 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)c2cc(C)ccc2C)C1 ZINC001027662704 800808886 /nfs/dbraw/zinc/80/88/86/800808886.db2.gz XJJKIQBDYKIRDH-INIZCTEOSA-N 1 1 286.419 3.026 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001027655125 800809619 /nfs/dbraw/zinc/80/96/19/800809619.db2.gz MCTCFGYTNMKBAW-ULQDDVLXSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC[N@H+](C)[C@H]1CCCN(C(=O)C2CC(C(C)(C)C)C2)C1 ZINC001027699480 800812573 /nfs/dbraw/zinc/81/25/73/800812573.db2.gz DUMNDTHYSHVRDL-GPANFISMSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1cscc1C ZINC001027815143 800821010 /nfs/dbraw/zinc/82/10/10/800821010.db2.gz VNWGYVPTHRJEOI-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccsc1C ZINC001027873765 800823916 /nfs/dbraw/zinc/82/39/16/800823916.db2.gz FLQNBGHPLZKWFC-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(CC)o1 ZINC001027973372 800828184 /nfs/dbraw/zinc/82/81/84/800828184.db2.gz PNAMOPWEVYUYQT-CQSZACIVSA-N 1 1 290.407 3.002 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC1(C)C ZINC001028081002 800829488 /nfs/dbraw/zinc/82/94/88/800829488.db2.gz KHOHVRDZVXABQM-HOTGVXAUSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(C)cccc1Cl ZINC001028115345 800831836 /nfs/dbraw/zinc/83/18/36/800831836.db2.gz KBITZHGSKOZTGH-CYBMUJFWSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)C1CCC(F)CC1 ZINC001028117368 800832545 /nfs/dbraw/zinc/83/25/45/800832545.db2.gz PFKCOSLYSWJAFP-GPANFISMSA-N 1 1 296.430 3.062 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C)cc1Cl ZINC001028155122 800832890 /nfs/dbraw/zinc/83/28/90/800832890.db2.gz XSZAZWRNHPVINE-ZDUSSCGKSA-N 1 1 292.810 3.029 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)cc1 ZINC001028280821 800838404 /nfs/dbraw/zinc/83/84/04/800838404.db2.gz WTWAXSSLSGCVDV-QGZVFWFLSA-N 1 1 286.419 3.155 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccoc1CCC ZINC001028262635 800838603 /nfs/dbraw/zinc/83/86/03/800838603.db2.gz YZXMOEFGLKOYKP-CQSZACIVSA-N 1 1 290.407 3.002 20 30 CGEDMO C=CCC[N@H+]1CCC[C@@H]1CNC(=O)c1coc2ccccc12 ZINC001028349086 800844168 /nfs/dbraw/zinc/84/41/68/800844168.db2.gz HJPHBHOFDDKCRR-CQSZACIVSA-N 1 1 298.386 3.203 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001028563193 800849667 /nfs/dbraw/zinc/84/96/67/800849667.db2.gz YWQYNRFXFNYAJZ-DLBZAZTESA-N 1 1 290.451 3.137 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H](CNC(=O)c2sccc2Cl)C1 ZINC001028557526 800849948 /nfs/dbraw/zinc/84/99/48/800849948.db2.gz GDXALWUCNVZBAE-LLVKDONJSA-N 1 1 298.839 3.029 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)c2cc(C)cs2)C1 ZINC001028529089 800850296 /nfs/dbraw/zinc/85/02/96/800850296.db2.gz VIJFAHUYXMHERU-AWEZNQCLSA-N 1 1 292.448 3.074 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001028942173 800857044 /nfs/dbraw/zinc/85/70/44/800857044.db2.gz XNFKGXGYEJUCFY-BRWVUGGUSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[NH+]1CC(NC(=O)C[C@@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC001031112367 800903595 /nfs/dbraw/zinc/90/35/95/800903595.db2.gz VDPGPDHLEURZJT-GJZGRUSLSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCN1CC[C@]2(CCC[N@H+]([C@@H](C)CCC(C)C)C2)C1=O ZINC001256364272 806869884 /nfs/dbraw/zinc/86/98/84/806869884.db2.gz RJMVRZFGILJTBY-WMZOPIPTSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2[C@@H](C)c1ccccc1 ZINC001032560501 800929250 /nfs/dbraw/zinc/92/92/50/800929250.db2.gz NALMLZXSSZMEEO-XIRDDKMYSA-N 1 1 298.430 3.245 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CCCC1 ZINC001032605993 800931541 /nfs/dbraw/zinc/93/15/41/800931541.db2.gz LVTZQNRFBFUKPJ-BQFCYCMXSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C1CCCC1 ZINC001032725414 800933816 /nfs/dbraw/zinc/93/38/16/800933816.db2.gz SYFNKPJKQFAQCI-XIRDDKMYSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC23CCCC3)C1 ZINC001033561348 800968229 /nfs/dbraw/zinc/96/82/29/800968229.db2.gz KNGMWTQVVPTQCH-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(C)s2)C1 ZINC001033734939 800979883 /nfs/dbraw/zinc/97/98/83/800979883.db2.gz UUZFTPDYZGLVIY-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)C2=CCCCCC2)C1 ZINC001033806870 800983615 /nfs/dbraw/zinc/98/36/15/800983615.db2.gz JGSHSVFGDHWETK-QGZVFWFLSA-N 1 1 290.451 3.376 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2c(C)coc2C)C1 ZINC001033818056 800983788 /nfs/dbraw/zinc/98/37/88/800983788.db2.gz ZQHLVCFAFKAQSJ-HNNXBMFYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)c2coc(C)c2)C1 ZINC001033808603 800984552 /nfs/dbraw/zinc/98/45/52/800984552.db2.gz WJJOGDCYGOPUDF-INIZCTEOSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccoc2Cl)C1 ZINC001033811122 800984597 /nfs/dbraw/zinc/98/45/97/800984597.db2.gz YIILCMAZFGNWTQ-LBPRGKRZSA-N 1 1 296.798 3.046 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(C)cs2)C1 ZINC001033831429 800986311 /nfs/dbraw/zinc/98/63/11/800986311.db2.gz YHBCQEYXNHVYAH-AWEZNQCLSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCC23CC3)C1 ZINC001033873506 800987062 /nfs/dbraw/zinc/98/70/62/800987062.db2.gz PKZXWAGGJKKYOA-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)C2CCCCCCC2)C1 ZINC001033898219 800987254 /nfs/dbraw/zinc/98/72/54/800987254.db2.gz UVSFOCXVVRTYKH-QGZVFWFLSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001034020452 800994932 /nfs/dbraw/zinc/99/49/32/800994932.db2.gz KBDUYBVZPSNNAP-ULQDDVLXSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C)s2)C1 ZINC001034077889 801000891 /nfs/dbraw/zinc/00/08/91/801000891.db2.gz IZUJOGCUYZNTHO-AWEZNQCLSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001034156105 801007033 /nfs/dbraw/zinc/00/70/33/801007033.db2.gz SKKRHZOCQTVOJM-QGZVFWFLSA-N 1 1 290.451 3.424 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2cscc2C)C1 ZINC001034164414 801009833 /nfs/dbraw/zinc/00/98/33/801009833.db2.gz QYYJPJZJBHSUFX-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)C2CC(C)(C)C2)C1 ZINC001034201230 801010626 /nfs/dbraw/zinc/01/06/26/801010626.db2.gz JEIFNUHGJBGNHT-CQSZACIVSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)C2CC(C)(C)C2)C1 ZINC001034201230 801010632 /nfs/dbraw/zinc/01/06/32/801010632.db2.gz JEIFNUHGJBGNHT-CQSZACIVSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@]2(C)CC=CCC2)C1 ZINC001034226720 801013307 /nfs/dbraw/zinc/01/33/07/801013307.db2.gz RSJIHEUFDKXVQD-FUHWJXTLSA-N 1 1 290.451 3.280 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001034222368 801013412 /nfs/dbraw/zinc/01/34/12/801013412.db2.gz CLKHAIYLTMQPGV-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)C2(C3CC3)CCC2)C1 ZINC001034332211 801016108 /nfs/dbraw/zinc/01/61/08/801016108.db2.gz VKDRZVRDUJJJEB-INIZCTEOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCC[N@H+]1CCCC[C@H](NC(=O)c2ccc(C=C)cc2)C1 ZINC001034419770 801025774 /nfs/dbraw/zinc/02/57/74/801025774.db2.gz QLGJEPQFSDULSW-SFHVURJKSA-N 1 1 298.430 3.490 20 30 CGEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2csc(C)c2)C1 ZINC001034445473 801026124 /nfs/dbraw/zinc/02/61/24/801026124.db2.gz TYFSQXOGJOIYDW-OAHLLOKOSA-N 1 1 292.448 3.217 20 30 CGEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001034497838 801029748 /nfs/dbraw/zinc/02/97/48/801029748.db2.gz HERYAJMEOFYJOX-OAHLLOKOSA-N 1 1 292.810 3.110 20 30 CGEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(F)s2)C1 ZINC001034549501 801033802 /nfs/dbraw/zinc/03/38/02/801033802.db2.gz ADIDEEHNIAESSX-GFCCVEGCSA-N 1 1 296.411 3.048 20 30 CGEDMO C=CCC[N@H+]1CCC2(C1)CCN(C(=O)CCC1CC1)CC2 ZINC001035168250 801054453 /nfs/dbraw/zinc/05/44/53/801054453.db2.gz JQRPCOHTACQBII-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2CN(C(=O)c3cccc(C)c3C)CC[C@H]21 ZINC001036883392 801092988 /nfs/dbraw/zinc/09/29/88/801092988.db2.gz CJJQTBASBPGERL-FUHWJXTLSA-N 1 1 298.430 3.026 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(C)cc3)CC[C@H]21 ZINC001036879238 801093555 /nfs/dbraw/zinc/09/35/55/801093555.db2.gz JSGBDFDFUOFOCP-ZWKOTPCHSA-N 1 1 298.430 3.108 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)c1csc(C)c1C ZINC001038289411 801122297 /nfs/dbraw/zinc/12/22/97/801122297.db2.gz ZZOZKVQLEJQNIJ-AWEZNQCLSA-N 1 1 292.448 3.135 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C)c(Cl)c1 ZINC001038668449 801130844 /nfs/dbraw/zinc/13/08/44/801130844.db2.gz JVTIBKWIODMYTN-CQSZACIVSA-N 1 1 292.810 3.029 20 30 CGEDMO C=CCC[N@H+]1CC[C@@H]1CNC(=O)c1sccc1C1CC1 ZINC001038985958 801140712 /nfs/dbraw/zinc/14/07/12/801140712.db2.gz ONKKDUOOWUQEIA-CYBMUJFWSA-N 1 1 290.432 3.006 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1cc2cccc(C)c2o1 ZINC001039056619 801143680 /nfs/dbraw/zinc/14/36/80/801143680.db2.gz NCIIBGYGMNKTHA-HNNXBMFYSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)c1cc2cccc(C)c2o1 ZINC001039056619 801143685 /nfs/dbraw/zinc/14/36/85/801143685.db2.gz NCIIBGYGMNKTHA-HNNXBMFYSA-N 1 1 298.386 3.121 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](C2CCN(C(=O)CCC)CC2)C1 ZINC001039095349 801147406 /nfs/dbraw/zinc/14/74/06/801147406.db2.gz DEADKQULLQYJNJ-OAHLLOKOSA-N 1 1 298.858 3.100 20 30 CGEDMO C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(F)=C1CCCC1 ZINC001039356865 801160563 /nfs/dbraw/zinc/16/05/63/801160563.db2.gz HPUKWTXWHIMJSP-CABCVRRESA-N 1 1 292.398 3.035 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(C)C ZINC001039823230 801166790 /nfs/dbraw/zinc/16/67/90/801166790.db2.gz OVALHNZWXVWCHK-IYBDPMFKSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)C3(CC)CCC3)C2)C1 ZINC001040342799 801177511 /nfs/dbraw/zinc/17/75/11/801177511.db2.gz CNIGYOZXJAALEV-KRWDZBQOSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@]2(CCN(C(=O)C(F)=C(C)C)C2)C1 ZINC001041193035 801187589 /nfs/dbraw/zinc/18/75/89/801187589.db2.gz CPSRXIRSUMPOJG-KRWDZBQOSA-N 1 1 294.414 3.140 20 30 CGEDMO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)C3CCCCCC3)C[C@H]21 ZINC001041974184 801198143 /nfs/dbraw/zinc/19/81/43/801198143.db2.gz ZPCSRQOKNZHLEI-NVXWUHKLSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)CC3CCC3)C[C@@H]21 ZINC001041996316 801198495 /nfs/dbraw/zinc/19/84/95/801198495.db2.gz IIIRIHVOFKHSKX-SJORKVTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)CC3(C)CC3)C[C@@H]21 ZINC001042160040 801202160 /nfs/dbraw/zinc/20/21/60/801202160.db2.gz KGWAYAIOXDARQR-HOTGVXAUSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N1CC[C@H]2CC[N@H+](CCCC)[C@H]2C1 ZINC001042183811 801202237 /nfs/dbraw/zinc/20/22/37/801202237.db2.gz MYLDUATUTOONEH-CVEARBPZSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2CCN(C(=O)C3(C)CCC3)C[C@H]21 ZINC001042186870 801202613 /nfs/dbraw/zinc/20/26/13/801202613.db2.gz KHOUCBAJFRGCKH-JKSUJKDBSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[NH+]1CC(N(C)C(=O)c2sccc2CC)C1 ZINC001044330201 801234433 /nfs/dbraw/zinc/23/44/33/801234433.db2.gz UZOWUPNPTDFGHX-UHFFFAOYSA-N 1 1 292.448 3.033 20 30 CGEDMO C=C(C)CC[NH+]1CC(N(C)C(=O)c2ccoc2C(C)C)C1 ZINC001044353792 801238932 /nfs/dbraw/zinc/23/89/32/801238932.db2.gz UKRZJNLYJTWQLJ-UHFFFAOYSA-N 1 1 290.407 3.125 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)C ZINC001045827015 801287604 /nfs/dbraw/zinc/28/76/04/801287604.db2.gz GIZVDECTWASGOB-CVEARBPZSA-N 1 1 292.467 3.310 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](C)CC ZINC001045826698 801287826 /nfs/dbraw/zinc/28/78/26/801287826.db2.gz DFXWSRZZPDNTQY-OAGGEKHMSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(=C)C ZINC001045840941 801288884 /nfs/dbraw/zinc/28/88/84/801288884.db2.gz YCMAYMFAPGWLPG-SOLBZPMBSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C(C)(C)F)C2 ZINC001045906758 801291204 /nfs/dbraw/zinc/29/12/04/801291204.db2.gz IJFRZRRYZRJDPR-KRWDZBQOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C1(C)CC1)C2 ZINC001045939542 801295052 /nfs/dbraw/zinc/29/50/52/801295052.db2.gz CDSFMVVBOOOHQI-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001046479831 801312028 /nfs/dbraw/zinc/31/20/28/801312028.db2.gz KBUCXFLTNGUEBL-RKVPGOIHSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2cc(C)sc2C)C1 ZINC001046465128 801312669 /nfs/dbraw/zinc/31/26/69/801312669.db2.gz WSWNWSIWNYKIQZ-INIZCTEOSA-N 1 1 292.448 3.135 20 30 CGEDMO C=C1CCC(C(=O)N[C@]2(C)CC[N@H+](C[C@@H](C)CC)C2)CC1 ZINC001046595190 801316511 /nfs/dbraw/zinc/31/65/11/801316511.db2.gz XZBVGNINYYALLK-KBXCAEBGSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001046788392 801323590 /nfs/dbraw/zinc/32/35/90/801323590.db2.gz CHUDJOYJAVYDDP-JFIYKMOQSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001046855854 801328515 /nfs/dbraw/zinc/32/85/15/801328515.db2.gz XRKJTONUUKATCM-IBGZPJMESA-N 1 1 298.430 3.334 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](CCCC)C3)C1 ZINC001047142888 801333482 /nfs/dbraw/zinc/33/34/82/801333482.db2.gz JKPMVIBSZPKVDV-JYJNAYRXSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)C(C)(C)C(C)C)C[C@H]2C1 ZINC001048838032 801354960 /nfs/dbraw/zinc/35/49/60/801354960.db2.gz CHMCODVWPQUYLG-IYBDPMFKSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC(C)C ZINC001049292262 801359869 /nfs/dbraw/zinc/35/98/69/801359869.db2.gz MAXHFNCXIYHXBQ-HOTGVXAUSA-N 1 1 278.440 3.064 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C=C1CCC1 ZINC001049411320 801371903 /nfs/dbraw/zinc/37/19/03/801371903.db2.gz HPUYGKOYSZTXRF-SJORKVTESA-N 1 1 288.435 3.128 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC1(C)C ZINC001049660924 801381718 /nfs/dbraw/zinc/38/17/18/801381718.db2.gz AVUOTJXMYSEKHA-HRCADAONSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CC(C)(C)C(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CCC1CC1 ZINC001049648588 801382167 /nfs/dbraw/zinc/38/21/67/801382167.db2.gz WWXNRWNIEOGHIS-HOTGVXAUSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC(=C)C ZINC001049693665 801383743 /nfs/dbraw/zinc/38/37/43/801383743.db2.gz ODNCQGHDWYLXOR-LZLYRXPVSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC1CC(C)(C)C1 ZINC001049669170 801385200 /nfs/dbraw/zinc/38/52/00/801385200.db2.gz RGCXDRMFIKCKSN-HOTGVXAUSA-N 1 1 290.451 3.064 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@H]1CCC ZINC001049702073 801386623 /nfs/dbraw/zinc/38/66/23/801386623.db2.gz JBSWCHRBTGXERS-NCOADZHNSA-N 1 1 290.451 3.064 20 30 CGEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)C=C2CCCCC2)CC1 ZINC001052238569 801426629 /nfs/dbraw/zinc/42/66/29/801426629.db2.gz LOYXZBRYSVCHKE-KRWDZBQOSA-N 1 1 290.451 3.424 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)cs2)CC1 ZINC001052364165 801432158 /nfs/dbraw/zinc/43/21/58/801432158.db2.gz CKCSAGCCVSFJDY-CQSZACIVSA-N 1 1 292.448 3.217 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CC=CCC2)CC1 ZINC001052624656 801441774 /nfs/dbraw/zinc/44/17/74/801441774.db2.gz MXVIQCPWHWYOTA-IAGOWNOFSA-N 1 1 290.451 3.280 20 30 CGEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(C)C=CCC2)CC1 ZINC001052636192 801442843 /nfs/dbraw/zinc/44/28/43/801442843.db2.gz OYKIFNHQLLXREO-ZBFHGGJFSA-N 1 1 296.842 3.066 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)c2ccsc2)CC1 ZINC001052701259 801449257 /nfs/dbraw/zinc/44/92/57/801449257.db2.gz BRLSRGOENKGEGC-HIFRSBDPSA-N 1 1 292.448 3.008 20 30 CGEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC)cc2)CC1 ZINC001052907176 801455741 /nfs/dbraw/zinc/45/57/41/801455741.db2.gz MYMLJXILGPQYTF-QGZVFWFLSA-N 1 1 286.419 3.019 20 30 CGEDMO C=C(C)CC[N@H+]1CCC[C@H]([C@@H]2CCCCN2C(C)=O)C1 ZINC001053054119 801463812 /nfs/dbraw/zinc/46/38/12/801463812.db2.gz IELNIVZSKMGLSK-IRXDYDNUSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC)C1 ZINC001053057094 801464160 /nfs/dbraw/zinc/46/41/60/801464160.db2.gz HCFGHXWHOQWNIL-IAGOWNOFSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C)CC)C2 ZINC001054090456 801474276 /nfs/dbraw/zinc/47/42/76/801474276.db2.gz BGOXFJWYCJAHTP-FUHWJXTLSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(CC)CCC1)C2 ZINC001054179683 801476479 /nfs/dbraw/zinc/47/64/79/801476479.db2.gz FQFXIWBJPNBLLL-QGZVFWFLSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1(C)CCCC1)C2 ZINC001054172870 801477272 /nfs/dbraw/zinc/47/72/72/801477272.db2.gz ZPEAHPBNZXTLRI-SFHVURJKSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CC=CCC3)cc2C1 ZINC001054254902 801481750 /nfs/dbraw/zinc/48/17/50/801481750.db2.gz NKRHISROKBGURK-INIZCTEOSA-N 1 1 296.414 3.161 20 30 CGEDMO C=CC[N@H+]1Cc2ccc(CNC(=O)[C@H]3CC=CCC3)cc2C1 ZINC001054254902 801481754 /nfs/dbraw/zinc/48/17/54/801481754.db2.gz NKRHISROKBGURK-INIZCTEOSA-N 1 1 296.414 3.161 20 30 CGEDMO C#CC1([NH2+]C2CCN(C(C)(C)C)CC2)CCCCC1 ZINC001256565450 806916005 /nfs/dbraw/zinc/91/60/05/806916005.db2.gz BFIIABZBNTXBJN-UHFFFAOYSA-N 1 1 262.441 3.175 20 30 CGEDMO C#CC1(NC2CC[NH+](C(C)(C)C)CC2)CCCCC1 ZINC001256565450 806916007 /nfs/dbraw/zinc/91/60/07/806916007.db2.gz BFIIABZBNTXBJN-UHFFFAOYSA-N 1 1 262.441 3.175 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)c2ccccc2)CC[C@H]1C ZINC001071317672 801526781 /nfs/dbraw/zinc/52/67/81/801526781.db2.gz XDDXAQNRNQHDHC-NVXWUHKLSA-N 1 1 286.419 3.236 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccccc2C)CC[C@@H]1C ZINC001071319360 801528493 /nfs/dbraw/zinc/52/84/93/801528493.db2.gz NKPDOUHRUDYKGD-HOTGVXAUSA-N 1 1 286.419 3.154 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2occc2C)CC[C@H]1C ZINC001071351894 801533155 /nfs/dbraw/zinc/53/31/55/801533155.db2.gz JVBFWSJRKUWHDX-CABCVRRESA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cscc2C)CC[C@H]1C ZINC001071399481 801534229 /nfs/dbraw/zinc/53/42/29/801534229.db2.gz UHNFIDIRKUPYRF-KGLIPLIRSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C2CC(C)(C)C2)CC[C@H]1C ZINC001071482170 801538456 /nfs/dbraw/zinc/53/84/56/801538456.db2.gz UXQIYVZPEPSZDP-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H](NC(=O)C(C)=C2CCC2)CC[C@H]1C ZINC001071500804 801540780 /nfs/dbraw/zinc/54/07/80/801540780.db2.gz CABDBJKNAQBAOV-RHSMWYFYSA-N 1 1 290.451 3.422 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)C(C)(C)C2CCCC2)CC[C@H]1C ZINC001071574907 801543144 /nfs/dbraw/zinc/54/31/44/801543144.db2.gz QZLDCJUZAMHWSY-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C2CC3(CCC3)C2)CC[C@@H]1C ZINC001071740953 801548291 /nfs/dbraw/zinc/54/82/91/801548291.db2.gz CBUKVJDRSJJGTH-HOCLYGCPSA-N 1 1 290.451 3.112 20 30 CGEDMO C=C1CCC(C(=O)N[C@@H]2CC[C@@H](C)[N@@H+](CC(C)C)C2)CC1 ZINC001071795208 801551181 /nfs/dbraw/zinc/55/11/81/801551181.db2.gz JAZCKXYHUQKJNP-NVXWUHKLSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@H+]1C[C@@H](NC(=O)c2occc2CC)CC[C@H]1C ZINC001071800104 801552556 /nfs/dbraw/zinc/55/25/56/801552556.db2.gz RDYJMZGRUPASBD-HIFRSBDPSA-N 1 1 290.407 3.001 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2CC[C@H](C)[N@@H+](CCC(C)C)C2)C1 ZINC001071803448 801554773 /nfs/dbraw/zinc/55/47/73/801554773.db2.gz MFRKTTNELJMAHQ-HOTGVXAUSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)c2csc(C)c2)CC[C@@H]1C ZINC001071895877 801555920 /nfs/dbraw/zinc/55/59/20/801555920.db2.gz BZKWFDLWWRHLPG-SWLSCSKDSA-N 1 1 292.448 3.215 20 30 CGEDMO C=CC[N@H+]1C[C@@H](NC(=O)c2sccc2CC)CC[C@H]1C ZINC001072098873 801562378 /nfs/dbraw/zinc/56/23/78/801562378.db2.gz HLULBHUGDBVGFW-OCCSQVGLSA-N 1 1 292.448 3.079 20 30 CGEDMO C=CC[N@@H+]1C[C@H](NC(=O)C23CCC(CC2)CC3)CC[C@H]1C ZINC001072096076 801562725 /nfs/dbraw/zinc/56/27/25/801562725.db2.gz SRNPSBYGWJJVKF-JBCIKUTRSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C2CCC=CCC2)CC[C@H]1C ZINC001072078676 801563346 /nfs/dbraw/zinc/56/33/46/801563346.db2.gz JUADRAALEQNJPJ-WBVHZDCISA-N 1 1 290.451 3.278 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccc(F)s2)CC[C@@H]1C ZINC001072112653 801564282 /nfs/dbraw/zinc/56/42/82/801564282.db2.gz DEWCFFNIXKCZPG-RYUDHWBXSA-N 1 1 296.411 3.046 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2ccc(F)s2)CC[C@H]1C ZINC001072112626 801564458 /nfs/dbraw/zinc/56/44/58/801564458.db2.gz CVDWDLQKCCYGEI-VXGBXAGGSA-N 1 1 296.411 3.046 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C2CCC(C)(C)CC2)CC[C@H]1C ZINC001072106590 801566066 /nfs/dbraw/zinc/56/60/66/801566066.db2.gz SSGIZMMMZOCTHA-ZBFHGGJFSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H](C2CCN(C(=O)C(C)C)CC2)CC1 ZINC001075444656 801603519 /nfs/dbraw/zinc/60/35/19/801603519.db2.gz HKAZWZDXCVXGGH-INIZCTEOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CC3CCCC3)[C@@H]2C1 ZINC001075507931 801604879 /nfs/dbraw/zinc/60/48/79/801604879.db2.gz JKDBFMDOCFXVQP-DLBZAZTESA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2CCCCC2)C1 ZINC001079391452 801642554 /nfs/dbraw/zinc/64/25/54/801642554.db2.gz CUNLNHHSCKCDOG-IUODEOHRSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2CCCCC2)C1 ZINC001079391452 801642556 /nfs/dbraw/zinc/64/25/56/801642556.db2.gz CUNLNHHSCKCDOG-IUODEOHRSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CCC3CCCC3)[C@@H]2C1 ZINC001084164378 801665310 /nfs/dbraw/zinc/66/53/10/801665310.db2.gz CYUREYVDJNHYDX-IAGOWNOFSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(C)CCCCCC3)[C@@H]2C1 ZINC001084414028 801667829 /nfs/dbraw/zinc/66/78/29/801667829.db2.gz SPWHXNYQMVZTSY-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cscc1C ZINC001085535827 801690288 /nfs/dbraw/zinc/69/02/88/801690288.db2.gz QCKUDKYULZGXTL-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(C)coc1C ZINC001085579900 801696454 /nfs/dbraw/zinc/69/64/54/801696454.db2.gz ZJYFQGINQACSCA-HNNXBMFYSA-N 1 1 290.407 3.009 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)sc1C ZINC001085706035 801700545 /nfs/dbraw/zinc/70/05/45/801700545.db2.gz FCHOUHZUWOQVJG-CQSZACIVSA-N 1 1 292.448 3.087 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C)cc1C ZINC001085953774 801714367 /nfs/dbraw/zinc/71/43/67/801714367.db2.gz KBPIPCRIACFRGX-INIZCTEOSA-N 1 1 286.419 3.026 20 30 CGEDMO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc2cc(C)ccc2o1 ZINC001085986583 801717551 /nfs/dbraw/zinc/71/75/51/801717551.db2.gz ICNZYYBOLWCYHF-HNNXBMFYSA-N 1 1 298.386 3.074 20 30 CGEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc2cc(C)ccc2o1 ZINC001085986583 801717558 /nfs/dbraw/zinc/71/75/58/801717558.db2.gz ICNZYYBOLWCYHF-HNNXBMFYSA-N 1 1 298.386 3.074 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cc(C)c(C)o2)[C@H]1CC ZINC001087541708 801755189 /nfs/dbraw/zinc/75/51/89/801755189.db2.gz CAZVZHPWYINFQF-LSDHHAIUSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc(C)c(C)o2)[C@H]1CC ZINC001087541749 801755809 /nfs/dbraw/zinc/75/58/09/801755809.db2.gz DYZLTEKKYSPLSV-LSDHHAIUSA-N 1 1 290.407 3.055 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)c2ccsc2)[C@H]1CC ZINC001087721791 801765959 /nfs/dbraw/zinc/76/59/59/801765959.db2.gz FTPWLMGZVCURAJ-VHDGCEQUSA-N 1 1 292.448 3.007 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2CC(C)C)[C@H]1CC ZINC001087732353 801766399 /nfs/dbraw/zinc/76/63/99/801766399.db2.gz QWZWAKYAQDMRKX-WCXIOVBPSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C)c(C)c2)[C@H]1CC ZINC001087818262 801767614 /nfs/dbraw/zinc/76/76/14/801767614.db2.gz IVAPOABIFFXEDB-DLBZAZTESA-N 1 1 286.419 3.072 20 30 CGEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cccc(Cl)c2)[C@H]1CC ZINC001087806977 801769396 /nfs/dbraw/zinc/76/93/96/801769396.db2.gz JTCGBRQOLKRNJH-LSDHHAIUSA-N 1 1 292.810 3.109 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2C=CCCC2)[C@H]1C ZINC001088656131 801804026 /nfs/dbraw/zinc/80/40/26/801804026.db2.gz GXESWZPQRWBUOV-KFWWJZLASA-N 1 1 296.842 3.064 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2C=CCCC2)[C@H]1C ZINC001088656131 801804033 /nfs/dbraw/zinc/80/40/33/801804033.db2.gz GXESWZPQRWBUOV-KFWWJZLASA-N 1 1 296.842 3.064 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2sc(C)cc2C)[C@H]1C ZINC001088594574 801804388 /nfs/dbraw/zinc/80/43/88/801804388.db2.gz PJYSXRMJOZTJHQ-KGLIPLIRSA-N 1 1 292.448 3.134 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2c(C)cccc2C)[C@H]1C ZINC001088876285 801811465 /nfs/dbraw/zinc/81/14/65/801811465.db2.gz GSGYYBUEAWAHNA-CVEARBPZSA-N 1 1 286.419 3.072 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C2CCCC2)[C@H]1C ZINC001088971444 801813225 /nfs/dbraw/zinc/81/32/25/801813225.db2.gz PYBOUJCFKXPWSD-INMHGKMJSA-N 1 1 292.467 3.358 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2csc(C)c2)[C@H]1C ZINC001088922099 801813422 /nfs/dbraw/zinc/81/34/22/801813422.db2.gz RCYBWDAMHPLFAP-HIFRSBDPSA-N 1 1 292.448 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC(C)(C)C2)[C@H]1C ZINC001089065780 801818401 /nfs/dbraw/zinc/81/84/01/801818401.db2.gz BIWDYQSJEAAZAV-OAGGEKHMSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CCCC1 ZINC001089601072 801844280 /nfs/dbraw/zinc/84/42/80/801844280.db2.gz JRDVPUZNTQHYES-MRXNPFEDSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC ZINC001089696215 801850671 /nfs/dbraw/zinc/85/06/71/801850671.db2.gz UXXGFLXOCVRAKI-OWCLPIDISA-N 1 1 292.467 3.215 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1C[C@H]2C[N@@H+](CC(C)C)C[C@@]2(C)C1 ZINC001091981393 801859671 /nfs/dbraw/zinc/85/96/71/801859671.db2.gz NIQBRJSRDGVNBC-NXHRZFHOSA-N 1 1 292.467 3.025 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC(C)(C)C2)[C@H](C)C1 ZINC001092946003 801864890 /nfs/dbraw/zinc/86/48/90/801864890.db2.gz MERUAOFWBSVDFU-BZUAXINKSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CC[N@H+]1CC[C@@]2(CNC(=O)c3ccc(C)cc3)CCC[C@@H]12 ZINC001094565201 801872638 /nfs/dbraw/zinc/87/26/38/801872638.db2.gz PBXVHCJTXQVWRD-IEBWSBKVSA-N 1 1 298.430 3.155 20 30 CGEDMO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCC(C)C)C1 ZINC001095985536 801887740 /nfs/dbraw/zinc/88/77/40/801887740.db2.gz AVDZOGSHSVIGEE-PMPSAXMXSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCC1(C)C)C2 ZINC001097667062 801901212 /nfs/dbraw/zinc/90/12/12/801901212.db2.gz MZKNYYPUKLWYQU-FPCVCCKLSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2CCCC2)C1 ZINC001098711745 801912162 /nfs/dbraw/zinc/91/21/62/801912162.db2.gz ZQZNOANCUWBXOC-WMZOPIPTSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C=C(C)C ZINC001098880254 801918124 /nfs/dbraw/zinc/91/81/24/801918124.db2.gz MZUVYWTVOJJKCN-HNNXBMFYSA-N 1 1 278.440 3.136 20 30 CGEDMO C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCC ZINC001098911553 801919287 /nfs/dbraw/zinc/91/92/87/801919287.db2.gz VEWWHEOVVKEIEZ-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC(C)C ZINC001098895645 801920968 /nfs/dbraw/zinc/92/09/68/801920968.db2.gz VZWFUCOSEOVGAA-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C[C@H](C)CCC ZINC001098960122 801921883 /nfs/dbraw/zinc/92/18/83/801921883.db2.gz LRSULOUOHODBPO-HZPDHXFCSA-N 1 1 292.467 3.053 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)/C=C(/C)C1CC1 ZINC001098939755 801922023 /nfs/dbraw/zinc/92/20/23/801922023.db2.gz SVCIARDQAJLVDJ-SYCZXOQXSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@](C)(C=C)CC ZINC001099213336 801934028 /nfs/dbraw/zinc/93/40/28/801934028.db2.gz CEGXEXSZZSUNBK-QAPCUYQASA-N 1 1 292.467 3.382 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)C=C(C)C)C[C@]2(C)C1 ZINC001101112950 801971593 /nfs/dbraw/zinc/97/15/93/801971593.db2.gz GZJSBQIVGOZCLX-NUJGCVRESA-N 1 1 290.451 3.088 20 30 CGEDMO CCCCCCC[N@H+]1C[C@@H]2CN(C(=O)C(C)C)C[C@]2(C)C1 ZINC001101127601 801971869 /nfs/dbraw/zinc/97/18/69/801971869.db2.gz BIOUFGBWIDYCJA-AEFFLSMTSA-N 1 1 294.483 3.393 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](CNC(=O)CC(C)(C)C)[C@H](C)C1 ZINC001101725133 801987268 /nfs/dbraw/zinc/98/72/68/801987268.db2.gz HZBUKNNQJYFSRH-HUUCEWRRSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H](CNC(=O)C=C(CC)CC)[C@H](C)C1 ZINC001101873300 801993804 /nfs/dbraw/zinc/99/38/04/801993804.db2.gz AOGFUYPWDQLTJJ-IUODEOHRSA-N 1 1 298.858 3.169 20 30 CGEDMO C=C(C)CCC(=O)NC[C@@H]1C[N@@H+](C[C@@H](C)CC)C[C@H]1C ZINC001102010485 801997616 /nfs/dbraw/zinc/99/76/16/801997616.db2.gz AVQZKHGNAFBUAW-ARFHVFGLSA-N 1 1 280.456 3.073 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1C[N@H+](CC2CCC2)C[C@H]1C ZINC001102221459 802000901 /nfs/dbraw/zinc/00/09/01/802000901.db2.gz RBMZNUFWQXOOTI-GDBMZVCRSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCCCC(=O)NC[C@@H]1C[N@H+](CCCCCF)C[C@H]1C ZINC001102297162 802004573 /nfs/dbraw/zinc/00/45/73/802004573.db2.gz MBBVHQHGSFHXFO-HZPDHXFCSA-N 1 1 298.446 3.167 20 30 CGEDMO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1C[N@@H+](C/C=C/Cl)C[C@H]1C ZINC001102262987 802004784 /nfs/dbraw/zinc/00/47/84/802004784.db2.gz RHRJVZXJADVXJY-YVSHFGMPSA-N 1 1 298.858 3.025 20 30 CGEDMO C=CC1(CC(=O)NC[C@@H]2C[N@@H+](CC)C[C@H]2C)CCCCC1 ZINC001102457425 802007941 /nfs/dbraw/zinc/00/79/41/802007941.db2.gz MQPHPPRZAHEUFV-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](CNC(=O)[C@H](CC)CC(C)C)[C@H](C)C1 ZINC001102501761 802011771 /nfs/dbraw/zinc/01/17/71/802011771.db2.gz QFZKPIJOILATTC-BRWVUGGUSA-N 1 1 294.483 3.319 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2cccs2)C1 ZINC001102645468 802016128 /nfs/dbraw/zinc/01/61/28/802016128.db2.gz QJUIDSWUKRGDNH-ZIAGYGMSSA-N 1 1 292.448 3.012 20 30 CGEDMO C=C(C)CCC(=O)NCC[C@@H]1C[N@@H+](CC[C@@H](C)F)C[C@H]1C ZINC001103040383 802027207 /nfs/dbraw/zinc/02/72/07/802027207.db2.gz SYCIOAFOVAQSCG-BZUAXINKSA-N 1 1 298.446 3.165 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(C)CCCC2)C1 ZINC001103284810 802029019 /nfs/dbraw/zinc/02/90/19/802029019.db2.gz AGSCWFAAVUCVBA-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001103332216 802030563 /nfs/dbraw/zinc/03/05/63/802030563.db2.gz LDYXSSYYGTUMGH-OAGGEKHMSA-N 1 1 292.467 3.073 20 30 CGEDMO C=CCCC1(C(=O)NCC[C@@H]2C[N@@H+](CCC)C[C@H]2C)CC1 ZINC001103403532 802033881 /nfs/dbraw/zinc/03/38/81/802033881.db2.gz BBHIGKQULOLEBL-HZPDHXFCSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H](C)C(C)(C)C)C1 ZINC001103675209 802036432 /nfs/dbraw/zinc/03/64/32/802036432.db2.gz SQFVTBWHXDJMDG-OWCLPIDISA-N 1 1 294.483 3.319 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)/C(C)=C/C)CCC[C@@H]12 ZINC001107355251 802086430 /nfs/dbraw/zinc/08/64/30/802086430.db2.gz FRFMMHUOGWLPCJ-WCXDJQSRSA-N 1 1 296.842 3.066 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)CC3(C)CC3)CCC[C@@H]12 ZINC001107479756 802087726 /nfs/dbraw/zinc/08/77/26/802087726.db2.gz MIPSBSSWBFYFKQ-CRAIPNDOSA-N 1 1 290.451 3.114 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC=CCC1)C2 ZINC001108919026 802104891 /nfs/dbraw/zinc/10/48/91/802104891.db2.gz NIWVAOAELZBVIW-NCOADZHNSA-N 1 1 288.435 3.030 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C=C(/C)C1CC1)C2 ZINC001109005442 802106767 /nfs/dbraw/zinc/10/67/67/802106767.db2.gz XMLDUCZVKINLPA-XCTRLNKQSA-N 1 1 288.435 3.030 20 30 CGEDMO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1C ZINC001109046433 802106810 /nfs/dbraw/zinc/10/68/10/802106810.db2.gz PLVNFMLICSIHPW-SQNIBIBYSA-N 1 1 298.430 3.183 20 30 CGEDMO C=CCC(CC=C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCC ZINC001109329532 802111656 /nfs/dbraw/zinc/11/16/56/802111656.db2.gz ZCURSVQVVXUDFQ-IKGGRYGDSA-N 1 1 290.451 3.276 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC(=C)C)C2 ZINC001109351261 802114643 /nfs/dbraw/zinc/11/46/43/802114643.db2.gz VJSJRTOFLTVEPJ-NCOADZHNSA-N 1 1 290.451 3.419 20 30 CGEDMO C=CCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C1CCC1)C2 ZINC001109439192 802114821 /nfs/dbraw/zinc/11/48/21/802114821.db2.gz RRIYCMAEYNUAFX-ORQFMDKSSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@](C)(F)CCCC)C2 ZINC001109467199 802116814 /nfs/dbraw/zinc/11/68/14/802116814.db2.gz NVMKXVIUYCJZOV-AESZEHBQSA-N 1 1 296.430 3.202 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)CC)C2 ZINC001109661491 802122226 /nfs/dbraw/zinc/12/22/26/802122226.db2.gz WDDDNVWOBIZKLP-ILXRZTDVSA-N 1 1 278.440 3.110 20 30 CGEDMO C=C(C)CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C(C)C)CC1)C2 ZINC001109702143 802122857 /nfs/dbraw/zinc/12/28/57/802122857.db2.gz WKTNMIRVRQXHNC-PMPSAXMXSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCC1 ZINC001109678574 802123402 /nfs/dbraw/zinc/12/34/02/802123402.db2.gz ANCCBHLVBCLOJI-CVYDXHPNSA-N 1 1 290.451 3.110 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CC1 ZINC001109768085 802124976 /nfs/dbraw/zinc/12/49/76/802124976.db2.gz YFLVRYNZTSVULP-PMPSAXMXSA-N 1 1 290.451 3.110 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC(C)C ZINC001110888505 802148684 /nfs/dbraw/zinc/14/86/84/802148684.db2.gz HMTOPKMMEYRNLA-OAGGEKHMSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(CC)CC1)C2 ZINC001110993096 802151903 /nfs/dbraw/zinc/15/19/03/802151903.db2.gz MCNYHPNAIWROLE-FPCVCCKLSA-N 1 1 290.451 3.253 20 30 CGEDMO C=C(C)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)CC(C)C)C2 ZINC001111248469 802158506 /nfs/dbraw/zinc/15/85/06/802158506.db2.gz BFYMNLFCCAOFIV-HZMVEIRTSA-N 1 1 292.467 3.356 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CCC2)C1 ZINC001111556547 802160988 /nfs/dbraw/zinc/16/09/88/802160988.db2.gz LPCAYPJAVZIJLV-HFTRVMKXSA-N 1 1 290.451 3.112 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC)C1 ZINC001111596934 802162882 /nfs/dbraw/zinc/16/28/82/802162882.db2.gz DWLXIIYLCDWGLV-RDJZCZTQSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)/C(C)=C\C)C1 ZINC001111694729 802166761 /nfs/dbraw/zinc/16/67/61/802166761.db2.gz IAVGXSUJHAFDAJ-LQGCVSQXSA-N 1 1 290.451 3.278 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC2CCC2)C1 ZINC001111689711 802166812 /nfs/dbraw/zinc/16/68/12/802166812.db2.gz NTPXNHQTYMMZGD-WMZOPIPTSA-N 1 1 290.451 3.114 20 30 CGEDMO C=C(C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CCC(C)C)C2 ZINC001111765978 802168865 /nfs/dbraw/zinc/16/88/65/802168865.db2.gz PAKJGJAGSSOHLU-WMZOPIPTSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C[C@H](C)[C@@H](C)C(=O)N1CC[NH+](CC2=CCCCC2)CC1 ZINC001113226644 802206545 /nfs/dbraw/zinc/20/65/45/802206545.db2.gz IWRLMXGDXMNHPL-JKSUJKDBSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC[NH+](CC/C=C\CC)CC1 ZINC001113388679 802219103 /nfs/dbraw/zinc/21/91/03/802219103.db2.gz JUSKTOXXYVWIQP-FPLPWBNLSA-N 1 1 278.440 3.089 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)C[C@H](C)CCCCC)CC1 ZINC001113404887 802219222 /nfs/dbraw/zinc/21/92/22/802219222.db2.gz LSEJDBSFAWLPSX-MRXNPFEDSA-N 1 1 280.456 3.313 20 30 CGEDMO C=C(C)C[NH+]1CCN(C(=O)CCCC2CCCC2)CC1 ZINC001113691258 802232075 /nfs/dbraw/zinc/23/20/75/802232075.db2.gz PDOCESDAQDHJAE-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCC1(C(=O)N2CC[NH+](CC[C@@H](C)F)CC2)CCCC1 ZINC001113744900 802233820 /nfs/dbraw/zinc/23/38/20/802233820.db2.gz SHNZKIQMYYNCCP-OAHLLOKOSA-N 1 1 296.430 3.015 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC(C)(C)C ZINC001114050356 802237697 /nfs/dbraw/zinc/23/76/97/802237697.db2.gz AVOYHIDQHSSTQY-QLPKVWCKSA-N 1 1 292.467 3.215 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC(C)=C(C)C ZINC001114704596 802243476 /nfs/dbraw/zinc/24/34/76/802243476.db2.gz LIEOJIFHXQPPQC-CBZIJGRNSA-N 1 1 290.451 3.134 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)CC(C)(C)C ZINC001114883492 802247193 /nfs/dbraw/zinc/24/71/93/802247193.db2.gz YZUYAKNYQVYZKK-LJIGWXMPSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(CC)CC)C[C@H]21 ZINC001114895778 802247413 /nfs/dbraw/zinc/24/74/13/802247413.db2.gz FKJDJTHBNFZRFT-ZSHCYNCHSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)CCCCCC ZINC001114991360 802249766 /nfs/dbraw/zinc/24/97/66/802249766.db2.gz BWWGSPLWYLKTBH-MWDXBVQZSA-N 1 1 292.467 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)CC(C)C ZINC001115090852 802252218 /nfs/dbraw/zinc/25/22/18/802252218.db2.gz FAGBXFAGYVRKOM-MWDXBVQZSA-N 1 1 292.467 3.071 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(CC)CC ZINC001115267760 802254287 /nfs/dbraw/zinc/25/42/87/802254287.db2.gz KFHILZVTPRLUKJ-WCVJEAGWSA-N 1 1 292.467 3.214 20 30 CGEDMO C=CCO[C@H]1CC[N@H+](CCCc2ccc(C)cc2)C1 ZINC001116541590 802374515 /nfs/dbraw/zinc/37/45/15/802374515.db2.gz JRHHCGPIALLZAF-KRWDZBQOSA-N 1 1 259.393 3.205 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@@H+]1CCn2cnnc2C1 ZINC001172358520 808254341 /nfs/dbraw/zinc/25/43/41/808254341.db2.gz PPZBEXGEUKNHOX-CQSZACIVSA-N 1 1 264.417 3.233 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@H+]1CCn2cnnc2C1 ZINC001172358520 808254345 /nfs/dbraw/zinc/25/43/45/808254345.db2.gz PPZBEXGEUKNHOX-CQSZACIVSA-N 1 1 264.417 3.233 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[N@H+](C)CCC(C)C ZINC001282442574 809246027 /nfs/dbraw/zinc/24/60/27/809246027.db2.gz CCYRSDBHMYWTEP-CQSZACIVSA-N 1 1 268.445 3.071 20 30 CGEDMO C#CC[C@H]1CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC001118640305 802591325 /nfs/dbraw/zinc/59/13/25/802591325.db2.gz HRARCOKGKHULNK-INIZCTEOSA-N 1 1 278.399 3.477 20 30 CGEDMO CC[N@@H+](CCCCC1(C#N)CCC1)C[C@H](O)C(F)(F)F ZINC001119825313 802701881 /nfs/dbraw/zinc/70/18/81/802701881.db2.gz OIOULYXFTVZEQF-LBPRGKRZSA-N 1 1 292.345 3.096 20 30 CGEDMO N#Cc1cncc(C[N@@H+]2Cc3ccccc3C3(CCC3)C2)c1 ZINC001119861975 802703842 /nfs/dbraw/zinc/70/38/42/802703842.db2.gz XWQCKSQTWGNUDR-UHFFFAOYSA-N 1 1 289.382 3.391 20 30 CGEDMO N#Cc1cncc(C[N@H+]2Cc3ccccc3C3(CCC3)C2)c1 ZINC001119861975 802703844 /nfs/dbraw/zinc/70/38/44/802703844.db2.gz XWQCKSQTWGNUDR-UHFFFAOYSA-N 1 1 289.382 3.391 20 30 CGEDMO C=CC[C@H]([NH2+]C[C@@H]1CCC[C@@H](CC)C1)C(=O)OCC ZINC001181457963 810053493 /nfs/dbraw/zinc/05/34/93/810053493.db2.gz RZDCALDZEPILAW-KFWWJZLASA-N 1 1 267.413 3.300 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCCC)C1 ZINC001120320738 802739615 /nfs/dbraw/zinc/73/96/15/802739615.db2.gz SGDXJURDQJWJDU-DLBZAZTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=CC[N@H+](C)C1CCN(c2ncccc2C(F)(F)F)CC1 ZINC001256893419 807001210 /nfs/dbraw/zinc/00/12/10/807001210.db2.gz WTZWTWKCSBKNOZ-UHFFFAOYSA-N 1 1 299.340 3.187 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)c2ccoc2C)CC[C@H]1C ZINC001131772611 803342981 /nfs/dbraw/zinc/34/29/81/803342981.db2.gz RDKGTZMBFVAJLV-HIFRSBDPSA-N 1 1 290.407 3.137 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@H](NC(=O)/C=C\C(C)(C)C)CC[C@H]1C ZINC001131911793 803357644 /nfs/dbraw/zinc/35/76/44/803357644.db2.gz NSCUCHARHBRTEB-GIBSZGAASA-N 1 1 298.858 3.310 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@H](NC(=O)/C=C\C(C)(C)C)CC[C@H]1C ZINC001131911793 803357651 /nfs/dbraw/zinc/35/76/51/803357651.db2.gz NSCUCHARHBRTEB-GIBSZGAASA-N 1 1 298.858 3.310 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](NC(=O)CC2CCC2)CC[C@H]1C ZINC001131943817 803361578 /nfs/dbraw/zinc/36/15/78/803361578.db2.gz VIARJUWAKWCNQY-ZBFHGGJFSA-N 1 1 278.440 3.112 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC/C=C\CC)C1 ZINC001132003368 803366021 /nfs/dbraw/zinc/36/60/21/803366021.db2.gz UJKSGDVRFSUONN-QXUXXFOKSA-N 1 1 290.451 3.115 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C(CC=C)CC=C)CC[C@H]1C ZINC001132056676 803369407 /nfs/dbraw/zinc/36/94/07/803369407.db2.gz BGRFTYALBGJYLK-WBVHZDCISA-N 1 1 290.451 3.300 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)CC(C)(C)C=C)CC[C@H]1C ZINC001132060750 803371654 /nfs/dbraw/zinc/37/16/54/803371654.db2.gz KNEUOIDNBXUMHW-CABCVRRESA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCCC[N@@H+]1C[C@H](NC(=O)C2(F)CCCC2)CC[C@@H]1C ZINC001132143933 803375583 /nfs/dbraw/zinc/37/55/83/803375583.db2.gz BMMFVBMCSQAGKH-LSDHHAIUSA-N 1 1 296.430 3.204 20 30 CGEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)C(C)(C)C(=C)C)CC[C@@H]1C ZINC001132219072 803380043 /nfs/dbraw/zinc/38/00/43/803380043.db2.gz ZNQRNNNSKMOXGO-LSDHHAIUSA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](NC(=O)CCCC#CC)CC[C@@H]1C ZINC001132224832 803380766 /nfs/dbraw/zinc/38/07/66/803380766.db2.gz RAPOIQJZQYQNDK-IRXDYDNUSA-N 1 1 290.451 3.115 20 30 CGEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C(C)(C)C)CC[C@@H]1C ZINC001132241089 803384946 /nfs/dbraw/zinc/38/49/46/803384946.db2.gz QOGBZOFFXMKSHY-GJZGRUSLSA-N 1 1 292.467 3.051 20 30 CGEDMO C=CCC(C)(C)C(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(=C)C)C1 ZINC001132332849 803396755 /nfs/dbraw/zinc/39/67/55/803396755.db2.gz XKBJYHNBJOGYJV-CABCVRRESA-N 1 1 278.440 3.134 20 30 CGEDMO C=CCC[N@@H+]1C[C@H](NC(=O)CCC2(C)CC2)CC[C@H]1C ZINC001132414640 803402570 /nfs/dbraw/zinc/40/25/70/803402570.db2.gz UBAOAMMGJRAQRZ-HUUCEWRRSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC[N@H+]1C[C@H](NC(=O)C(C)(CC)CC)CC[C@@H]1C ZINC001132494377 803409484 /nfs/dbraw/zinc/40/94/84/803409484.db2.gz RWUVKVHSOQSTMK-LSDHHAIUSA-N 1 1 280.456 3.358 20 30 CGEDMO C[N@H+]1CCc2cc(-c3cccc(C#N)c3F)ccc2C1 ZINC001245070016 803630751 /nfs/dbraw/zinc/63/07/51/803630751.db2.gz ZWOPEGPACMPJOP-UHFFFAOYSA-N 1 1 266.319 3.352 20 30 CGEDMO C=C(CC(C)C)C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001136492659 803645405 /nfs/dbraw/zinc/64/54/05/803645405.db2.gz HWROOWVTIWVIDR-BBWFWOEESA-N 1 1 292.467 3.453 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2c[nH]c3cc(C)ccc23)C1 ZINC001136974638 803666225 /nfs/dbraw/zinc/66/62/25/803666225.db2.gz HBXVRMIQDOUEAT-AWEZNQCLSA-N 1 1 252.361 3.322 20 30 CGEDMO N#CCC[N@@H+](Cc1ccc2nccnc2c1)C1CCCC1 ZINC001137088304 803682203 /nfs/dbraw/zinc/68/22/03/803682203.db2.gz RFLALQISYPFBHJ-UHFFFAOYSA-N 1 1 280.375 3.288 20 30 CGEDMO C[N@@H+](Cc1c[nH]c2ncccc12)Cc1ccc(C#N)cc1 ZINC001137401798 803728831 /nfs/dbraw/zinc/72/88/31/803728831.db2.gz HWVZSHHCPQRGEC-UHFFFAOYSA-N 1 1 276.343 3.067 20 30 CGEDMO Cc1ccc(C[N@@H+]2CCC[C@H](C#N)CC2)c(F)c1F ZINC001137969741 803810916 /nfs/dbraw/zinc/81/09/16/803810916.db2.gz GRBWCBJAVJOOQQ-LBPRGKRZSA-N 1 1 264.319 3.399 20 30 CGEDMO Cc1ccc(C[N@H+]2CCC[C@H](C#N)CC2)c(F)c1F ZINC001137969741 803810922 /nfs/dbraw/zinc/81/09/22/803810922.db2.gz GRBWCBJAVJOOQQ-LBPRGKRZSA-N 1 1 264.319 3.399 20 30 CGEDMO Cc1c(C[N@H+]2CC[C@@](C)(C#N)C2)c2ccccc2n1C ZINC001138259737 803885527 /nfs/dbraw/zinc/88/55/27/803885527.db2.gz NCYGBUWCGVMSQU-KRWDZBQOSA-N 1 1 267.376 3.222 20 30 CGEDMO CO[C@@H]1CC[N@@H+](Cc2ccc(C#Cc3ccccc3)cc2)C1 ZINC001138335480 803898649 /nfs/dbraw/zinc/89/86/49/803898649.db2.gz TUTLLBLLWBXTSY-HXUWFJFHSA-N 1 1 291.394 3.307 20 30 CGEDMO C#CCOc1ccc(C[N@@H+]2CCCC[C@@](C)(F)C2)cc1 ZINC001138556420 803966684 /nfs/dbraw/zinc/96/66/84/803966684.db2.gz UUYGVCJJWMNHNK-QGZVFWFLSA-N 1 1 275.367 3.413 20 30 CGEDMO C#CCOc1ccc(C[N@@H+](Cc2ccco2)C2CC2)cc1 ZINC001138560326 803968033 /nfs/dbraw/zinc/96/80/33/803968033.db2.gz QXUMMIFQCUJMTH-UHFFFAOYSA-N 1 1 281.355 3.456 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2CC(C)(C)C[C@@]2(C)CO)c1O ZINC001138625443 803983730 /nfs/dbraw/zinc/98/37/30/803983730.db2.gz LCMFSSPSWXVZEY-SFHVURJKSA-N 1 1 289.419 3.104 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CCC[C@@H]2c2ncccn2)c1O ZINC001138631198 803984631 /nfs/dbraw/zinc/98/46/31/803984631.db2.gz MVHPOGYNNVDPDL-MRXNPFEDSA-N 1 1 295.386 3.248 20 30 CGEDMO N#CC1CC[NH+](Cc2cccn2-c2ccccc2F)CC1 ZINC001138630922 803985165 /nfs/dbraw/zinc/98/51/65/803985165.db2.gz GKIFBWJKVBPTNQ-UHFFFAOYSA-N 1 1 283.350 3.352 20 30 CGEDMO C=CCc1cccc(CN2CC[C@H]([N@H+](C)C(C)C)C2)c1O ZINC001138629858 803986172 /nfs/dbraw/zinc/98/61/72/803986172.db2.gz JJSYOQAGDXYCKI-KRWDZBQOSA-N 1 1 288.435 3.035 20 30 CGEDMO C=CCc1cccc(C[N@H+]2CC[C@H](N(C)C(C)C)C2)c1O ZINC001138629858 803986175 /nfs/dbraw/zinc/98/61/75/803986175.db2.gz JJSYOQAGDXYCKI-KRWDZBQOSA-N 1 1 288.435 3.035 20 30 CGEDMO C=CCc1cccc(C[N@@H+]2CC[C@H](N(C)C(C)C)C2)c1O ZINC001138629858 803986180 /nfs/dbraw/zinc/98/61/80/803986180.db2.gz JJSYOQAGDXYCKI-KRWDZBQOSA-N 1 1 288.435 3.035 20 30 CGEDMO C=C(C)COc1ccccc1C[N@H+]1CCC[C@H]1CN(C)C ZINC001138665070 803997042 /nfs/dbraw/zinc/99/70/42/803997042.db2.gz FRPOTINNXZRTQW-KRWDZBQOSA-N 1 1 288.435 3.168 20 30 CGEDMO C=C(C)COc1ccccc1C[N@@H+]1CCC[C@H]1CN(C)C ZINC001138665070 803997045 /nfs/dbraw/zinc/99/70/45/803997045.db2.gz FRPOTINNXZRTQW-KRWDZBQOSA-N 1 1 288.435 3.168 20 30 CGEDMO C=C(C)COc1ccccc1C[NH+]1CC2(CSC2)C1 ZINC001138666393 803999020 /nfs/dbraw/zinc/99/90/20/803999020.db2.gz QMSYSXCXJBLFBY-UHFFFAOYSA-N 1 1 275.417 3.190 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2Cl)C1 ZINC001138673864 804001936 /nfs/dbraw/zinc/00/19/36/804001936.db2.gz FZVKAHGOGMLVLW-LLVKDONJSA-N 1 1 251.732 3.324 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2Cl)C1 ZINC001138673864 804001945 /nfs/dbraw/zinc/00/19/45/804001945.db2.gz FZVKAHGOGMLVLW-LLVKDONJSA-N 1 1 251.732 3.324 20 30 CGEDMO C#CC[NH+](CC#C)Cc1ccc2c(c1)c1ccccc1n2C ZINC001138919462 804073615 /nfs/dbraw/zinc/07/36/15/804073615.db2.gz CQXPOMYOJKIMRN-UHFFFAOYSA-N 1 1 286.378 3.400 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@@H+]1CCN[C@@H](CCC)C1 ZINC001246068484 804108845 /nfs/dbraw/zinc/10/88/45/804108845.db2.gz HTFBDHAPVFRKLA-IRXDYDNUSA-N 1 1 284.488 3.172 20 30 CGEDMO CCCCCCCC[C@H](O)C[N@H+]1CCN[C@@H](CCC)C1 ZINC001246068484 804108847 /nfs/dbraw/zinc/10/88/47/804108847.db2.gz HTFBDHAPVFRKLA-IRXDYDNUSA-N 1 1 284.488 3.172 20 30 CGEDMO C=CCOc1ccccc1C[N@@H+]1CCCC(=O)[C@@H](C)C1 ZINC001139027147 804111691 /nfs/dbraw/zinc/11/16/91/804111691.db2.gz MYTBMUDZCDMMQV-AWEZNQCLSA-N 1 1 273.376 3.052 20 30 CGEDMO C=CCOc1ccccc1C[N@H+]1CCCC(=O)[C@@H](C)C1 ZINC001139027147 804111694 /nfs/dbraw/zinc/11/16/94/804111694.db2.gz MYTBMUDZCDMMQV-AWEZNQCLSA-N 1 1 273.376 3.052 20 30 CGEDMO C#CC(CC)(CC)N[C@H]1CC[NH2+][C@H](CCCC)C1 ZINC001246073310 804112022 /nfs/dbraw/zinc/11/20/22/804112022.db2.gz XDDOTYOSRZSXQF-CABCVRRESA-N 1 1 250.430 3.079 20 30 CGEDMO C=CCOc1ccccc1C[NH+]1CC2(C1)CC(F)(F)C2 ZINC001139027239 804113010 /nfs/dbraw/zinc/11/30/10/804113010.db2.gz RIBVFBNBFPYYCP-UHFFFAOYSA-N 1 1 279.330 3.483 20 30 CGEDMO CCn1ccc2ccc(C[N@H+](CC)CCC#N)cc21 ZINC001139123613 804131222 /nfs/dbraw/zinc/13/12/22/804131222.db2.gz XYDOGGSIHGPFIO-UHFFFAOYSA-N 1 1 255.365 3.397 20 30 CGEDMO CCn1ccc2ccc(C[N@@H+](CC)CCC#N)cc21 ZINC001139123613 804131228 /nfs/dbraw/zinc/13/12/28/804131228.db2.gz XYDOGGSIHGPFIO-UHFFFAOYSA-N 1 1 255.365 3.397 20 30 CGEDMO CCn1ccc2ccc(C[N@@H+]3CC[C@@H](C#N)C3)cc21 ZINC001139124731 804134115 /nfs/dbraw/zinc/13/41/15/804134115.db2.gz RQVWEFVPSKGKJE-AWEZNQCLSA-N 1 1 253.349 3.007 20 30 CGEDMO CCn1ccc2ccc(C[N@H+]3CC[C@@H](C#N)C3)cc21 ZINC001139124731 804134117 /nfs/dbraw/zinc/13/41/17/804134117.db2.gz RQVWEFVPSKGKJE-AWEZNQCLSA-N 1 1 253.349 3.007 20 30 CGEDMO CCCCCCCCC[C@H](C)[NH2+]C[C@@]12CN[C@@H](CO1)C2 ZINC001246148962 804169224 /nfs/dbraw/zinc/16/92/24/804169224.db2.gz OUYXOXUVJVONEP-BBWFWOEESA-N 1 1 282.472 3.236 20 30 CGEDMO Cc1cc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cnc1Cl ZINC001139547011 804202573 /nfs/dbraw/zinc/20/25/73/804202573.db2.gz SWIUMQFNZMDAEV-DEZZGGKRSA-N 1 1 275.783 3.310 20 30 CGEDMO Cc1cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cnc1Cl ZINC001139547011 804202581 /nfs/dbraw/zinc/20/25/81/804202581.db2.gz SWIUMQFNZMDAEV-DEZZGGKRSA-N 1 1 275.783 3.310 20 30 CGEDMO C[C@H]1CC[N@@H+](Cc2c[nH]c3c2cccc3C#N)CC[C@]1(C)O ZINC001139701766 804257988 /nfs/dbraw/zinc/25/79/88/804257988.db2.gz PGRFVBHMGPLXHI-UGSOOPFHSA-N 1 1 297.402 3.022 20 30 CGEDMO CC1(C)CC[N@@H+](Cc2c[nH]c3c2cccc3C#N)C1 ZINC001139703069 804260306 /nfs/dbraw/zinc/26/03/06/804260306.db2.gz IIPDBMGSMPWOOH-UHFFFAOYSA-N 1 1 253.349 3.271 20 30 CGEDMO CC[N@@H+](Cc1c[nH]c2c1cccc2C#N)Cc1ccccn1 ZINC001139705954 804260936 /nfs/dbraw/zinc/26/09/36/804260936.db2.gz HOCYRPJVBMLRKF-UHFFFAOYSA-N 1 1 290.370 3.457 20 30 CGEDMO COc1cccc2c1CC[N@H+](Cc1ccc(C)c(C#N)c1)C2 ZINC001139727528 804267948 /nfs/dbraw/zinc/26/79/48/804267948.db2.gz SUGJSEXVQSCFJM-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO COc1cccc2c1CC[N@@H+](Cc1ccc(C)c(C#N)c1)C2 ZINC001139727528 804267955 /nfs/dbraw/zinc/26/79/55/804267955.db2.gz SUGJSEXVQSCFJM-UHFFFAOYSA-N 1 1 292.382 3.434 20 30 CGEDMO C=C(C)C[N@@H+](CC)Cc1cc(Cl)cnc1OC ZINC001139749350 804273127 /nfs/dbraw/zinc/27/31/27/804273127.db2.gz VYQAXLVYIUMECW-UHFFFAOYSA-N 1 1 254.761 3.142 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1cc(Cl)cnc1OC ZINC001139749350 804273133 /nfs/dbraw/zinc/27/31/33/804273133.db2.gz VYQAXLVYIUMECW-UHFFFAOYSA-N 1 1 254.761 3.142 20 30 CGEDMO C=CCn1cc(C[N@H+](C)C23CC4CC(CC(C4)C2)C3)cn1 ZINC001139770189 804277950 /nfs/dbraw/zinc/27/79/50/804277950.db2.gz GSYKUWSJDPWKMO-UHFFFAOYSA-N 1 1 285.435 3.470 20 30 CGEDMO C=CCn1cc(C[N@H+]2CC[C@H](Cc3ccccc3)C2)cn1 ZINC001139770750 804278802 /nfs/dbraw/zinc/27/88/02/804278802.db2.gz ZJEABRAORKMGBX-QGZVFWFLSA-N 1 1 281.403 3.134 20 30 CGEDMO C#CC1(N[C@H]2CC[NH2+][C@H](C(C)(C)C)C2)CCCCC1 ZINC001246460945 804342625 /nfs/dbraw/zinc/34/26/25/804342625.db2.gz AWRLQHPUVWQYJT-GJZGRUSLSA-N 1 1 262.441 3.079 20 30 CGEDMO C#CC1(N[C@H]2CC[NH2+][C@@H](Cc3ccccc3)C2)CCCCC1 ZINC001246461077 804343092 /nfs/dbraw/zinc/34/30/92/804343092.db2.gz BYIZZIAUCLSUGT-OALUTQOASA-N 1 1 296.458 3.275 20 30 CGEDMO C#CC1(N[C@H]2CC[NH2+][C@@H](CCCC)C2)CCCCC1 ZINC001246464767 804343308 /nfs/dbraw/zinc/34/33/08/804343308.db2.gz SUESDDNHLSYALX-HOTGVXAUSA-N 1 1 262.441 3.223 20 30 CGEDMO N#Cc1ccc(C2CCC([NH2+][C@H]3CCCC[C@H]3N)CC2)cc1 ZINC001246474507 804350847 /nfs/dbraw/zinc/35/08/47/804350847.db2.gz AKGADQWWFVSNFF-GMNCBBECSA-N 1 1 297.446 3.444 20 30 CGEDMO C[C@H]1CC[C@@H](CN)[N@H+]1C1CCC(c2ccc(C#N)cc2)CC1 ZINC001246536729 804385316 /nfs/dbraw/zinc/38/53/16/804385316.db2.gz CJUVPBUXZQJXJJ-QKHJWGRCSA-N 1 1 297.446 3.396 20 30 CGEDMO C=CCCCCCCNC(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC001140296143 804408398 /nfs/dbraw/zinc/40/83/98/804408398.db2.gz WLARLIXMFPOINQ-MRXNPFEDSA-N 1 1 278.440 3.256 20 30 CGEDMO N#C[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)CC1 ZINC001140341399 804420250 /nfs/dbraw/zinc/42/02/50/804420250.db2.gz MLQZOCOFXYMDQO-LLVKDONJSA-N 1 1 264.756 3.171 20 30 CGEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OCC3CC3)c2)C1 ZINC001140490911 804447573 /nfs/dbraw/zinc/44/75/73/804447573.db2.gz INJOUGQSVKDVFB-OAHLLOKOSA-N 1 1 299.414 3.329 20 30 CGEDMO Fc1cccc(C[NH+]2CCC(S)CC2)c1Cl ZINC001140568241 804462959 /nfs/dbraw/zinc/46/29/59/804462959.db2.gz WLHYCSXEUSWQHB-UHFFFAOYSA-N 1 1 259.777 3.373 20 30 CGEDMO N#Cc1c(F)cc(C[N@@H+]2CCC23CCCC3)cc1F ZINC001140751767 804504397 /nfs/dbraw/zinc/50/43/97/804504397.db2.gz BZSDKXCBQFDROM-UHFFFAOYSA-N 1 1 262.303 3.355 20 30 CGEDMO N#Cc1c(F)cc(C[N@H+]2CCC23CCCC3)cc1F ZINC001140751767 804504402 /nfs/dbraw/zinc/50/44/02/804504402.db2.gz BZSDKXCBQFDROM-UHFFFAOYSA-N 1 1 262.303 3.355 20 30 CGEDMO CC[C@@H]1C[C@H](N(C)Cc2ccc(C#N)cc2)C[C@H](CC)[NH2+]1 ZINC001246771260 804504849 /nfs/dbraw/zinc/50/48/49/804504849.db2.gz XLKKUJCDPWOIDE-PIIMJCKOSA-N 1 1 285.435 3.299 20 30 CGEDMO CC[C@@H]1CC[N@@H+](Cc2cc(F)c(C#N)c(F)c2)C1 ZINC001140755325 804506271 /nfs/dbraw/zinc/50/62/71/804506271.db2.gz AEJWAVOJLYTPGN-SNVBAGLBSA-N 1 1 250.292 3.068 20 30 CGEDMO C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1cc(F)c(C#N)c(F)c1 ZINC001140754092 804506781 /nfs/dbraw/zinc/50/67/81/804506781.db2.gz OSQFIWASKQDDQS-WDEREUQCSA-N 1 1 264.319 3.457 20 30 CGEDMO CCCCCCCC[C@H](CCC)[N@H+]1CCN[C@@H](CO)C1 ZINC001246794292 804518056 /nfs/dbraw/zinc/51/80/56/804518056.db2.gz DKTODUJHEVHVRC-SJORKVTESA-N 1 1 284.488 3.172 20 30 CGEDMO C=CCC[C@H](C)[N@@H+]1CCNC[C@H]1c1ccccc1F ZINC001246800481 804521744 /nfs/dbraw/zinc/52/17/44/804521744.db2.gz ZRXMSVLCMQJSLV-BBRMVZONSA-N 1 1 262.372 3.127 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCNC[C@H]1c1ccccc1F ZINC001246800481 804521750 /nfs/dbraw/zinc/52/17/50/804521750.db2.gz ZRXMSVLCMQJSLV-BBRMVZONSA-N 1 1 262.372 3.127 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cccc(C#N)c2Cl)CCC[C@]1(C)O ZINC001140808179 804522877 /nfs/dbraw/zinc/52/28/77/804522877.db2.gz LOFRSLXGSZZMMO-LRDDRELGSA-N 1 1 292.810 3.195 20 30 CGEDMO CCCCCC[C@H](CCCC)[N@@H+]1CCN[C@H](C#N)C1 ZINC001246832895 804542492 /nfs/dbraw/zinc/54/24/92/804542492.db2.gz CUVVNXRTYJEFOK-CVEARBPZSA-N 1 1 265.445 3.313 20 30 CGEDMO CCCCCC[C@H](CCCC)[N@H+]1CCN[C@H](C#N)C1 ZINC001246832895 804542495 /nfs/dbraw/zinc/54/24/95/804542495.db2.gz CUVVNXRTYJEFOK-CVEARBPZSA-N 1 1 265.445 3.313 20 30 CGEDMO CCCCCCC[C@@H](CCC)[N@@H+]1CCN[C@H](C#N)C1 ZINC001246832898 804542738 /nfs/dbraw/zinc/54/27/38/804542738.db2.gz CVGUYHLGUIEYHA-HZPDHXFCSA-N 1 1 265.445 3.313 20 30 CGEDMO CCCCCCC[C@@H](CCC)[N@H+]1CCN[C@H](C#N)C1 ZINC001246832898 804542745 /nfs/dbraw/zinc/54/27/45/804542745.db2.gz CVGUYHLGUIEYHA-HZPDHXFCSA-N 1 1 265.445 3.313 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@@H](F)[C@H](N)C1 ZINC001246836070 804544580 /nfs/dbraw/zinc/54/45/80/804544580.db2.gz MLSLSQNDJKVYED-RRFJBIMHSA-N 1 1 258.425 3.497 20 30 CGEDMO C=CCN(Cc1ccccc1)[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001246840789 804549893 /nfs/dbraw/zinc/54/98/93/804549893.db2.gz PYYNLQVCSCNPBT-KRWDZBQOSA-N 1 1 270.420 3.349 20 30 CGEDMO N#CC1CCC([N@H+]2CCC[C@H]2c2ccccn2)CC1 ZINC001256968690 807018806 /nfs/dbraw/zinc/01/88/06/807018806.db2.gz KOBIVJODUGXAOS-XUJLQICISA-N 1 1 255.365 3.301 20 30 CGEDMO Cc1ccnc(O[C@@H]2CCC[N@H+](C3CCC(C#N)CC3)C2)c1 ZINC001256972464 807021104 /nfs/dbraw/zinc/02/11/04/807021104.db2.gz ZAZYJVHUYGDFPS-OFLPRAFFSA-N 1 1 299.418 3.316 20 30 CGEDMO C[C@@H]1CNC[C@@H](C)[NH+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001246882410 804577847 /nfs/dbraw/zinc/57/78/47/804577847.db2.gz INVVRQKQLBWDGZ-FDCMFXBMSA-N 1 1 297.446 3.073 20 30 CGEDMO CC(C)[N@@H+](CCCCCO)Cc1ccc(F)cc1C#N ZINC001141167575 804603512 /nfs/dbraw/zinc/60/35/12/804603512.db2.gz PVSASZPCQPSDBU-UHFFFAOYSA-N 1 1 278.371 3.070 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cc(O)c(OC)c(OC)c1 ZINC001141174196 804603604 /nfs/dbraw/zinc/60/36/04/804603604.db2.gz XUPUXTOOFICUQT-UHFFFAOYSA-N 1 1 279.380 3.198 20 30 CGEDMO CCCCCCC[C@H](CC(C)C)[N@H+]1C[C@@H](N)C[C@@H]1CO ZINC001246939312 804610251 /nfs/dbraw/zinc/61/02/51/804610251.db2.gz RMDUSLRIXBQHKI-GVDBMIGSSA-N 1 1 284.488 3.156 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+](C1CCC1)[C@@H]1CCCNC1 ZINC001246987690 804629954 /nfs/dbraw/zinc/62/99/54/804629954.db2.gz OAZUGKWNQNXKRZ-HNAYVOBHSA-N 1 1 297.446 3.096 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+](C1CCC1)[C@@H]1CCCNC1 ZINC001246987690 804629958 /nfs/dbraw/zinc/62/99/58/804629958.db2.gz OAZUGKWNQNXKRZ-HNAYVOBHSA-N 1 1 297.446 3.096 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(OC3CCOCC3)cc2)C1 ZINC001141414363 804640250 /nfs/dbraw/zinc/64/02/50/804640250.db2.gz DNWLSNLHVMXSOE-MRXNPFEDSA-N 1 1 299.414 3.090 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cc3cccnc3cc2F)C1 ZINC001141631207 804658501 /nfs/dbraw/zinc/65/85/01/804658501.db2.gz LMMVEEFRKZGRNV-ZDUSSCGKSA-N 1 1 268.335 3.219 20 30 CGEDMO N#CC1CC[NH+](Cc2coc3ccc(F)cc23)CC1 ZINC001141846798 804672398 /nfs/dbraw/zinc/67/23/98/804672398.db2.gz MKDBWVHLWVKHLY-UHFFFAOYSA-N 1 1 258.296 3.307 20 30 CGEDMO CSc1nc(C[N@H+]2CC3CCC2CC3)ccc1C#N ZINC001141941355 804680421 /nfs/dbraw/zinc/68/04/21/804680421.db2.gz GFQPJHLCSHCPQT-UHFFFAOYSA-N 1 1 273.405 3.050 20 30 CGEDMO CSc1nc(C[N@@H+]2CCC[C@H](C(F)F)C2)ccc1C#N ZINC001141941595 804680728 /nfs/dbraw/zinc/68/07/28/804680728.db2.gz PYUBWXGQIMEAGR-NSHDSACASA-N 1 1 297.374 3.152 20 30 CGEDMO CSc1nc(C[N@H+]2CCC[C@H](C(F)F)C2)ccc1C#N ZINC001141941595 804680729 /nfs/dbraw/zinc/68/07/29/804680729.db2.gz PYUBWXGQIMEAGR-NSHDSACASA-N 1 1 297.374 3.152 20 30 CGEDMO C=CCC[C@@H]([NH3+])c1nc(-c2ccc3occc3c2)no1 ZINC001247621956 804782094 /nfs/dbraw/zinc/78/20/94/804782094.db2.gz CELZQWHPWSHVGE-GFCCVEGCSA-N 1 1 269.304 3.449 20 30 CGEDMO C[C@@]1(F)CC[N@H+](Cc2c[nH]c3cc(C#N)ccc23)C[C@@H]1F ZINC001142911609 804782148 /nfs/dbraw/zinc/78/21/48/804782148.db2.gz BIHZYYITPAFLDL-JKSUJKDBSA-N 1 1 289.329 3.312 20 30 CGEDMO C[C@@]1(F)CC[N@@H+](Cc2c[nH]c3cc(C#N)ccc23)C[C@@H]1F ZINC001142911609 804782152 /nfs/dbraw/zinc/78/21/52/804782152.db2.gz BIHZYYITPAFLDL-JKSUJKDBSA-N 1 1 289.329 3.312 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2ccc(C)cc2F)no1 ZINC001247622739 804782723 /nfs/dbraw/zinc/78/27/23/804782723.db2.gz NSKNGTCFWLOIOQ-LBPRGKRZSA-N 1 1 261.300 3.150 20 30 CGEDMO C=CCC[C@H]([NH3+])c1nc(-c2cc(C)cc(OC)c2)no1 ZINC001247622567 804783725 /nfs/dbraw/zinc/78/37/25/804783725.db2.gz NPNQBVLSKXVWLW-ZDUSSCGKSA-N 1 1 273.336 3.020 20 30 CGEDMO C[N@@H+](Cc1c[nH]c2cc(C#N)ccc12)Cc1cccc(O)c1 ZINC001142911953 804783829 /nfs/dbraw/zinc/78/38/29/804783829.db2.gz PODNCXGDEVNGEK-UHFFFAOYSA-N 1 1 291.354 3.377 20 30 CGEDMO C[N@@H+](CCc1ccncc1)Cc1c[nH]c2cc(C#N)ccc12 ZINC001142921665 804784809 /nfs/dbraw/zinc/78/48/09/804784809.db2.gz RSIBGKQOVRIUHZ-UHFFFAOYSA-N 1 1 290.370 3.109 20 30 CGEDMO C=CCCCCC[C@H]([NH3+])c1nc(-c2ccc(C#N)cn2)no1 ZINC001247640817 804791012 /nfs/dbraw/zinc/79/10/12/804791012.db2.gz WHCDOAHGAZWCMO-ZDUSSCGKSA-N 1 1 297.362 3.140 20 30 CGEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](F)CC2)c1F ZINC001143164344 804814255 /nfs/dbraw/zinc/81/42/55/804814255.db2.gz DMQRBKRTGOZXGP-NSHDSACASA-N 1 1 268.282 3.160 20 30 CGEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](F)CC2)c1F ZINC001143164344 804814259 /nfs/dbraw/zinc/81/42/59/804814259.db2.gz DMQRBKRTGOZXGP-NSHDSACASA-N 1 1 268.282 3.160 20 30 CGEDMO N#Cc1cccc(-c2noc([C@@H]([NH3+])C3CCCCC3)n2)c1 ZINC001247819991 804841144 /nfs/dbraw/zinc/84/11/44/804841144.db2.gz HISGJRIFTOMYSJ-AWEZNQCLSA-N 1 1 282.347 3.188 20 30 CGEDMO CC(C)CC[C@@H]([NH3+])c1nc(-c2cc(C#N)ccc2F)no1 ZINC001247849217 804846190 /nfs/dbraw/zinc/84/61/90/804846190.db2.gz RQJGXBMKSWEFSS-CYBMUJFWSA-N 1 1 288.326 3.183 20 30 CGEDMO C#CC1CC[NH+](Cc2c(F)cc(OCC)cc2F)CC1 ZINC001143575571 804868457 /nfs/dbraw/zinc/86/84/57/804868457.db2.gz FJTZDFDLOGBKMY-UHFFFAOYSA-N 1 1 279.330 3.209 20 30 CGEDMO Cc1cc(F)cc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1 ZINC001143590129 804871708 /nfs/dbraw/zinc/87/17/08/804871708.db2.gz PCEJWRTUTPWDPO-DVSIDAKKSA-N 1 1 258.340 3.401 20 30 CGEDMO Cc1cc(-c2noc([C@H]([NH3+])C3CCCCC3)n2)ccc1C#N ZINC001248240949 804900866 /nfs/dbraw/zinc/90/08/66/804900866.db2.gz VVYIDODRZPGXIM-OAHLLOKOSA-N 1 1 296.374 3.497 20 30 CGEDMO COc1ccc(Cl)c(C[NH+]2CCC(S)CC2)c1F ZINC001143897699 804903171 /nfs/dbraw/zinc/90/31/71/804903171.db2.gz HWQCGYDFNQOQGA-UHFFFAOYSA-N 1 1 289.803 3.382 20 30 CGEDMO N#Cc1cncc(C[N@H+]2CC=C(c3ccccc3)CC2)c1 ZINC001144083527 804935035 /nfs/dbraw/zinc/93/50/35/804935035.db2.gz IOKPXALFBZYINA-UHFFFAOYSA-N 1 1 275.355 3.243 20 30 CGEDMO N#Cc1cncc(C[N@@H+]2CC=C(c3ccccc3)CC2)c1 ZINC001144083527 804935040 /nfs/dbraw/zinc/93/50/40/804935040.db2.gz IOKPXALFBZYINA-UHFFFAOYSA-N 1 1 275.355 3.243 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@@H+](C)CCc1ccccn1 ZINC001248743454 804981471 /nfs/dbraw/zinc/98/14/71/804981471.db2.gz WIFASHWLUKYJTI-UHFFFAOYSA-N 1 1 279.387 3.190 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001248748369 804982739 /nfs/dbraw/zinc/98/27/39/804982739.db2.gz HKGONWSMJSLDPZ-WMZOPIPTSA-N 1 1 284.403 3.122 20 30 CGEDMO C#Cc1ccc(C[N@@H+](C)CCCC(=O)c2cccnc2)cc1 ZINC001144576957 805009376 /nfs/dbraw/zinc/00/93/76/805009376.db2.gz XSOAICNHJVHIEL-UHFFFAOYSA-N 1 1 292.382 3.158 20 30 CGEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H]2CC(=O)OC(C)(C)C)cc1 ZINC001144578725 805009585 /nfs/dbraw/zinc/00/95/85/805009585.db2.gz KVZDWXMMFFWYIN-KRWDZBQOSA-N 1 1 299.414 3.364 20 30 CGEDMO C=C(C)C[N@H+](CC)Cc1ccnc(SC(C)C)n1 ZINC001248832868 805011874 /nfs/dbraw/zinc/01/18/74/805011874.db2.gz HVBGWMONJDQBQS-UHFFFAOYSA-N 1 1 265.426 3.375 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC2(CN(C(=O)CC(C)(C)C)C2)C1 ZINC001146991083 805101391 /nfs/dbraw/zinc/10/13/91/805101391.db2.gz XNZUSQHEPJDJJE-HNNXBMFYSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@@H+]1CCC2(CN(C(=O)C=C(CC)CC)C2)C1 ZINC001147333917 805122051 /nfs/dbraw/zinc/12/20/51/805122051.db2.gz FKPHEWYEGFJZFC-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO CC[C@@H](C)c1nn(C)cc1C[N@H+]1CCC[C@H](C#N)CC1 ZINC001249407928 805140548 /nfs/dbraw/zinc/14/05/48/805140548.db2.gz SLHXKNFUODSMMU-KGLIPLIRSA-N 1 1 274.412 3.059 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](Cc2cnc(C)cc2C(F)(F)F)C1 ZINC001249515073 805162649 /nfs/dbraw/zinc/16/26/49/805162649.db2.gz KSQAYBRGAFKKCY-LBPRGKRZSA-N 1 1 282.309 3.254 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cnc(C)cc2C(F)(F)F)C1 ZINC001249515073 805162656 /nfs/dbraw/zinc/16/26/56/805162656.db2.gz KSQAYBRGAFKKCY-LBPRGKRZSA-N 1 1 282.309 3.254 20 30 CGEDMO C=CCCCC(=O)N1CC2(C1)CC[N@H+](CCCCC)C2 ZINC001148181058 805165942 /nfs/dbraw/zinc/16/59/42/805165942.db2.gz JMLMMFOXIWUUKZ-UHFFFAOYSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CCC(C)(C)C(=O)N1CC2(C1)CC[N@H+](C[C@H](C)CC)C2 ZINC001148364299 805175493 /nfs/dbraw/zinc/17/54/93/805175493.db2.gz XVGUIPUFLYOOLJ-OAHLLOKOSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CCC2(CN(C(=O)[C@H](CCC)C(C)C)C2)C1 ZINC001148386287 805177919 /nfs/dbraw/zinc/17/79/19/805177919.db2.gz UGMFNGDWRZVHHB-MRXNPFEDSA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)CCC(C)C ZINC001151807269 805313575 /nfs/dbraw/zinc/31/35/75/805313575.db2.gz XFHUKWMNIRALTB-OAHLLOKOSA-N 1 1 268.445 3.215 20 30 CGEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)CC(C)(C)C ZINC001151900835 805321588 /nfs/dbraw/zinc/32/15/88/805321588.db2.gz KIQFVXGQDQASEI-CQSZACIVSA-N 1 1 268.445 3.215 20 30 CGEDMO C=C(C)CC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)CCC ZINC001152460893 805351576 /nfs/dbraw/zinc/35/15/76/805351576.db2.gz WNKBSBYWTWMSNT-HUUCEWRRSA-N 1 1 268.445 3.215 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)C=C(CC)CC ZINC001152713375 805365967 /nfs/dbraw/zinc/36/59/67/805365967.db2.gz ZJMOKWGXWRBQDP-CQSZACIVSA-N 1 1 266.429 3.136 20 30 CGEDMO C=C(C)C[N@H+](CC)[C@H](C)CNC(=O)CC(C)(C)C1CC1 ZINC001153226968 805386790 /nfs/dbraw/zinc/38/67/90/805386790.db2.gz PCWOFHJHNSHGOD-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO N#Cc1ccccc1Cc1c[nH+]cn1Cc1ccccc1 ZINC001250047783 805386845 /nfs/dbraw/zinc/38/68/45/805386845.db2.gz UOVOFZANZKONFQ-UHFFFAOYSA-N 1 1 273.339 3.394 20 30 CGEDMO CC[N@@H+](C[C@@H](C)CC(C)C)[C@H](C)CNC(=O)C#CC(C)C ZINC001153207914 805387344 /nfs/dbraw/zinc/38/73/44/805387344.db2.gz WGWHWTOOYFZZRT-DLBZAZTESA-N 1 1 294.483 3.155 20 30 CGEDMO C=CC[N@H+](CC)[C@H](C)CNC(=O)c1ccc(Cl)cc1F ZINC001154237990 805442476 /nfs/dbraw/zinc/44/24/76/805442476.db2.gz ONAFMNZWHQFGOH-LLVKDONJSA-N 1 1 298.789 3.105 20 30 CGEDMO C=C(Cl)C[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H]1CC=CCC1 ZINC001154614748 805467647 /nfs/dbraw/zinc/46/76/47/805467647.db2.gz CIBCDDBPZDXAJJ-HUUCEWRRSA-N 1 1 298.858 3.312 20 30 CGEDMO C=C(Cl)C[N@H+](CC)[C@H](C)CNC(=O)C[C@@H]1CC=CCC1 ZINC001154614748 805467653 /nfs/dbraw/zinc/46/76/53/805467653.db2.gz CIBCDDBPZDXAJJ-HUUCEWRRSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CC(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)C[C@H](C)CC ZINC001154605751 805468069 /nfs/dbraw/zinc/46/80/69/805468069.db2.gz PMRJRQBRZSCPQS-ZIAGYGMSSA-N 1 1 268.445 3.071 20 30 CGEDMO C=CCCCCC[N@H+](CC)[C@H](C)CNC(=O)CCCF ZINC001154648245 805471506 /nfs/dbraw/zinc/47/15/06/805471506.db2.gz DBQZNRZBETXWQC-OAHLLOKOSA-N 1 1 286.435 3.309 20 30 CGEDMO C=C[C@H](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)C/C=C/Cl ZINC001154758161 805483295 /nfs/dbraw/zinc/48/32/95/805483295.db2.gz ZVFUMXCTXIXIGQ-SJXIGLKTSA-N 1 1 286.847 3.168 20 30 CGEDMO C[N@H+]1CCC[C@@H](CCNc2ncc(C#N)c3ccccc32)C1 ZINC001165261101 806981940 /nfs/dbraw/zinc/98/19/40/806981940.db2.gz NLAMZPXFJBUSEF-AWEZNQCLSA-N 1 1 294.402 3.250 20 30 CGEDMO C=C1CC(C)(C(=O)NC[C@@H](C)[N@H+](CC)C[C@H](C)CC)C1 ZINC001155127239 805542908 /nfs/dbraw/zinc/54/29/08/805542908.db2.gz VUKBUABXBUMFIM-UKRRQHHQSA-N 1 1 280.456 3.215 20 30 CGEDMO Cc1cccc(CCN(C)c2[nH+]ccc3[nH]cc(C#N)c32)c1 ZINC001166824081 807106709 /nfs/dbraw/zinc/10/67/09/807106709.db2.gz BZWXDQWVOFBDFA-UHFFFAOYSA-N 1 1 290.370 3.422 20 30 CGEDMO C=CCOC[C@@]12CCCO[C@H]1CC[N@H+](C1CCCC1)C2 ZINC001257349896 807117160 /nfs/dbraw/zinc/11/71/60/807117160.db2.gz FIMWOCZYLIOHSD-IRXDYDNUSA-N 1 1 279.424 3.003 20 30 CGEDMO N#Cc1ccc(O[C@H]2CCC[N@H+](C3CCCC3)C2)cc1 ZINC001257354474 807120105 /nfs/dbraw/zinc/12/01/05/807120105.db2.gz FQIYNMYPXRPCJI-KRWDZBQOSA-N 1 1 270.376 3.344 20 30 CGEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+](C1CCCCC1)C2 ZINC001257455589 807165879 /nfs/dbraw/zinc/16/58/79/807165879.db2.gz JFPBCXCOVOPIMU-GOSISDBHSA-N 1 1 290.451 3.352 20 30 CGEDMO C=CCOCc1ncn2c1C[N@H+](C1CCCCC1)CCC2 ZINC001257456751 807166004 /nfs/dbraw/zinc/16/60/04/807166004.db2.gz ZXIJEJNYAQGTKL-UHFFFAOYSA-N 1 1 289.423 3.124 20 30 CGEDMO C#CC[N@H+](CCN(C)c1ccccc1)Cc1ccc(F)cc1 ZINC001167274018 807174986 /nfs/dbraw/zinc/17/49/86/807174986.db2.gz WIOILXHAWPQVOE-UHFFFAOYSA-N 1 1 296.389 3.397 20 30 CGEDMO C#CC[NH+](CC#C)[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC001167464933 807193946 /nfs/dbraw/zinc/19/39/46/807193946.db2.gz SCIJYIFKPSZLML-GFCCVEGCSA-N 1 1 281.277 3.215 20 30 CGEDMO CC(C)OC1CCC([N@H+]2CCC[C@H](CC#N)C2)CC1 ZINC001257882566 807236055 /nfs/dbraw/zinc/23/60/55/807236055.db2.gz SRJYGOFLEMKWLB-QQFBHYJXSA-N 1 1 264.413 3.348 20 30 CGEDMO C=C1C[C@@H]2CC([NH2+][C@@H](CCSC)C(=O)OC)C[C@H](C1)C2 ZINC001257888360 807239793 /nfs/dbraw/zinc/23/97/93/807239793.db2.gz IBYLRRIRROXJJZ-IXXDHKBRSA-N 1 1 297.464 3.006 20 30 CGEDMO C=C1C[C@@H]2CC([N@@H+]3CCCC(=O)[C@H](C)C3)C[C@H](C1)C2 ZINC001257890867 807241397 /nfs/dbraw/zinc/24/13/97/807241397.db2.gz BNZKFVDTBWZLRA-JZWPEALZSA-N 1 1 261.409 3.422 20 30 CGEDMO C=C1C[C@@H]2CC(N3CCC[C@@H]4C[N@H+](C)C[C@@H]43)C[C@H](C1)C2 ZINC001257895530 807245281 /nfs/dbraw/zinc/24/52/81/807245281.db2.gz SLSURXDQFMOHMU-JILJLDPQSA-N 1 1 274.452 3.147 20 30 CGEDMO C=CCOCC[N@H+](C)[C@@H]1C[C@H](OCC)C1(CC)CC ZINC001167820865 807255124 /nfs/dbraw/zinc/25/51/24/807255124.db2.gz YDDIRMHTAYNVCS-CABCVRRESA-N 1 1 269.429 3.105 20 30 CGEDMO N#C[C@@H]1CCC[N@@H+]([C@@H]2COc3ccc(Cl)cc3C2)CC1 ZINC001257968361 807259344 /nfs/dbraw/zinc/25/93/44/807259344.db2.gz LEVYPCPJPJHLJC-DOMZBBRYSA-N 1 1 290.794 3.269 20 30 CGEDMO N#C[C@@H]1CCC[N@H+]([C@@H]2COc3ccc(Cl)cc3C2)CC1 ZINC001257968361 807259347 /nfs/dbraw/zinc/25/93/47/807259347.db2.gz LEVYPCPJPJHLJC-DOMZBBRYSA-N 1 1 290.794 3.269 20 30 CGEDMO CCCCCCC[C@H](C)[NH2+][C@@H](C(=O)OC)C1CC1 ZINC001258042415 807272324 /nfs/dbraw/zinc/27/23/24/807272324.db2.gz NCFDQJBANNTHGC-GXTWGEPZSA-N 1 1 255.402 3.277 20 30 CGEDMO CCCCCCC[C@@H](C)[NH2+]C1(C(=O)OC)CCC1 ZINC001258041900 807273016 /nfs/dbraw/zinc/27/30/16/807273016.db2.gz CKNIUIMRTSKCHH-CYBMUJFWSA-N 1 1 255.402 3.421 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1CC[C@H](C(=O)OC)C1 ZINC001258044588 807273293 /nfs/dbraw/zinc/27/32/93/807273293.db2.gz RLBBXRQRCZBWEL-KGLIPLIRSA-N 1 1 255.402 3.230 20 30 CGEDMO CCCCCCC[C@@H](C)[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC001258049329 807275486 /nfs/dbraw/zinc/27/54/86/807275486.db2.gz FDIKGHGNHIYSJZ-GDBMZVCRSA-N 1 1 282.428 3.310 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCc2cc(F)ccc2C1 ZINC001168442292 807415744 /nfs/dbraw/zinc/41/57/44/807415744.db2.gz TTYNGUXYHQZBPM-BIMQEMHKSA-N 1 1 284.378 3.450 20 30 CGEDMO CSC(C)(C)C[C@@H](C)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001258337581 807417015 /nfs/dbraw/zinc/41/70/15/807417015.db2.gz NMNCCFLXHDTMBX-PWSUYJOCSA-N 1 1 285.478 3.181 20 30 CGEDMO C=CCC[N@@H+](Cc1ccccc1)[C@H](C)CCC(=O)OC ZINC001258368716 807430095 /nfs/dbraw/zinc/43/00/95/807430095.db2.gz ADARXWNORYONMR-OAHLLOKOSA-N 1 1 275.392 3.406 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)CCC(=O)OC ZINC001258373923 807431307 /nfs/dbraw/zinc/43/13/07/807431307.db2.gz DAYGKKXYHRIBQZ-AWEZNQCLSA-N 1 1 261.365 3.016 20 30 CGEDMO C=CCOC[C@H]1CCC[C@@]12C[N@@H+]([C@@H](C)CC1CC1)CCO2 ZINC001258461341 807464462 /nfs/dbraw/zinc/46/44/62/807464462.db2.gz CYWBSRGYLJJHTM-CGTJXYLNSA-N 1 1 293.451 3.249 20 30 CGEDMO N#C[C@@H]1CC[N@H+](C2CCN(c3ccccc3Cl)CC2)C1 ZINC001258545978 807491634 /nfs/dbraw/zinc/49/16/34/807491634.db2.gz OBQUJEQCVISEHN-ZDUSSCGKSA-N 1 1 289.810 3.154 20 30 CGEDMO C#CC[N@H+](C)[C@H](C)Cc1ccc(Cl)cc1Cl ZINC001258682427 807541451 /nfs/dbraw/zinc/54/14/51/807541451.db2.gz MLBWQISUIOEMTP-SNVBAGLBSA-N 1 1 256.176 3.489 20 30 CGEDMO CCCCCCC[C@H](CC(C)C)[N@H+]1CCO[C@H](CO)C1 ZINC001258714017 807565564 /nfs/dbraw/zinc/56/55/64/807565564.db2.gz GBVZQSPUJCDYNS-SJORKVTESA-N 1 1 285.472 3.455 20 30 CGEDMO CC(C)C[C@H](Cc1ccccc1)[N@H+]1CC[C@@H](C#N)C1 ZINC001169084212 807569356 /nfs/dbraw/zinc/56/93/56/807569356.db2.gz HUHPCKKHJCAIQZ-DLBZAZTESA-N 1 1 256.393 3.489 20 30 CGEDMO CC(C)C[C@H](Cc1ccccc1)[N@H+]1CC[C@H](C#N)C1 ZINC001169084214 807569978 /nfs/dbraw/zinc/56/99/78/807569978.db2.gz HUHPCKKHJCAIQZ-IAGOWNOFSA-N 1 1 256.393 3.489 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001258725140 807573873 /nfs/dbraw/zinc/57/38/73/807573873.db2.gz IFRXDZCDAGRXGE-ZIAGYGMSSA-N 1 1 282.428 3.282 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](CC(=O)OCC)Cc1ccccc1 ZINC001258726557 807574759 /nfs/dbraw/zinc/57/47/59/807574759.db2.gz UPJQNCWGRFTGTQ-OAHLLOKOSA-N 1 1 275.392 3.406 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](CC(=O)OCC)Cc1ccccc1 ZINC001258726557 807574763 /nfs/dbraw/zinc/57/47/63/807574763.db2.gz UPJQNCWGRFTGTQ-OAHLLOKOSA-N 1 1 275.392 3.406 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCC[C@]2(CCN(CC3CC3)C2=O)C1 ZINC001258729507 807576058 /nfs/dbraw/zinc/57/60/58/807576058.db2.gz WDDABGMPTSPYFR-QAPCUYQASA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@@H]2[C@@H]1CN2C(=O)OC(C)(C)C ZINC001258728939 807576788 /nfs/dbraw/zinc/57/67/88/807576788.db2.gz RJOAXUGXSVLZGF-ZNMIVQPWSA-N 1 1 294.439 3.425 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)Cc1cc(OC)cc(OC)c1 ZINC001258730558 807577921 /nfs/dbraw/zinc/57/79/21/807577921.db2.gz JURQSONRDJXESE-CYBMUJFWSA-N 1 1 263.381 3.490 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCC[C@]2(C[C@H](OCC=C)CO2)C1 ZINC001258730362 807578001 /nfs/dbraw/zinc/57/80/01/807578001.db2.gz FVWJYJGFXGKHKW-ULQDDVLXSA-N 1 1 279.424 3.167 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001258732921 807578722 /nfs/dbraw/zinc/57/87/22/807578722.db2.gz RXGUNVDTKOIIJW-GFCCVEGCSA-N 1 1 261.365 3.201 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H](CC(=O)OCC)[C@@H](C)C1 ZINC001258735937 807582626 /nfs/dbraw/zinc/58/26/26/807582626.db2.gz GGWVRPLNWKDIQF-KKUMJFAQSA-N 1 1 267.413 3.252 20 30 CGEDMO C=C[C@@H]1C[C@]1([NH2+][C@@H](CC)C[C@H](C)CC)C(=O)OCC ZINC001258783244 807611016 /nfs/dbraw/zinc/61/10/16/807611016.db2.gz BNKMCUMOINDGCY-HGTKMLMNSA-N 1 1 267.413 3.299 20 30 CGEDMO C=CC[C@@](C)([NH2+][C@@H](CC)C[C@@H](C)CC)C(=O)OC ZINC001258786558 807612115 /nfs/dbraw/zinc/61/21/15/807612115.db2.gz AIVOUVCHVGEDMK-KCQAQPDRSA-N 1 1 255.402 3.299 20 30 CGEDMO CC[C@H](C)C[C@H](CC)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001258792959 807615760 /nfs/dbraw/zinc/61/57/60/807615760.db2.gz ZLOOCKKYCLKAPY-FPMFFAJLSA-N 1 1 267.438 3.475 20 30 CGEDMO COc1ccc(Nc2cc[nH+]cc2C(F)(F)F)c(C#N)c1 ZINC001212779205 815133998 /nfs/dbraw/zinc/13/39/98/815133998.db2.gz ZHRRSVUURWQPGZ-UHFFFAOYSA-N 1 1 293.248 3.146 20 30 CGEDMO C[C@H]1CCC[C@@H]([N@H+]2CCc3cc(C#N)ccc3C2)C1 ZINC001258817814 807634438 /nfs/dbraw/zinc/63/44/38/807634438.db2.gz AVCPYFDUJYONLU-SUMWQHHRSA-N 1 1 254.377 3.495 20 30 CGEDMO C[C@@H]1CCC[C@@H]([N@H+]2CCc3ccc(C#N)cc3C2)C1 ZINC001258820467 807637587 /nfs/dbraw/zinc/63/75/87/807637587.db2.gz YTFPGZCOZIXKAJ-CXAGYDPISA-N 1 1 254.377 3.495 20 30 CGEDMO COc1ccccc1C[C@H](C)[N@H+]1CCC[C@H](CC#N)C1 ZINC001258891873 807666635 /nfs/dbraw/zinc/66/66/35/807666635.db2.gz GNYHIMROJVJBBE-LSDHHAIUSA-N 1 1 272.392 3.252 20 30 CGEDMO C#C[C@@](C)(CC)Nc1nc(N2CCCC(C)(C)C2)cc[nH+]1 ZINC001169693624 807689617 /nfs/dbraw/zinc/68/96/17/807689617.db2.gz XFJHOFDHFFFOPP-KRWDZBQOSA-N 1 1 286.423 3.317 20 30 CGEDMO C=CC[N@H+](Cc1ccccc1)Cc1cccnc1N(C)C ZINC001261168757 807713324 /nfs/dbraw/zinc/71/33/24/807713324.db2.gz AKIBCDPTEAWTED-UHFFFAOYSA-N 1 1 281.403 3.336 20 30 CGEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cccnc1N(C)C ZINC001261168757 807713328 /nfs/dbraw/zinc/71/33/28/807713328.db2.gz AKIBCDPTEAWTED-UHFFFAOYSA-N 1 1 281.403 3.336 20 30 CGEDMO C[N@@H+](Cc1cc2ccccc2[nH]1)[C@@H]1CC[C@@H](C#N)C1 ZINC001261237208 807718024 /nfs/dbraw/zinc/71/80/24/807718024.db2.gz KVMDOJDZDGEUSF-IUODEOHRSA-N 1 1 253.349 3.292 20 30 CGEDMO CC[N@@H+]([C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(C)(C)C ZINC001261263993 807726575 /nfs/dbraw/zinc/72/65/75/807726575.db2.gz YOSGWDYWZVYYKX-INIZCTEOSA-N 1 1 299.418 3.174 20 30 CGEDMO CC1(C)CC([N@H+]2CCC[C@H](C#N)CC2)CC(C)(C)N1O ZINC001170002589 807736409 /nfs/dbraw/zinc/73/64/09/807736409.db2.gz FYUHSWDYUHRHRP-ZDUSSCGKSA-N 1 1 279.428 3.023 20 30 CGEDMO C=CCN1C(=O)CCC[C@]12CCC[N@H+]([C@@H]1CC[C@H](C)C1)C2 ZINC001170140288 807774114 /nfs/dbraw/zinc/77/41/14/807774114.db2.gz XIDXZVNHTPBTAZ-LZLYRXPVSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCO[C@@H]1CC[N@H+](Cc2ccc(CCC)s2)C1 ZINC001261764373 807784171 /nfs/dbraw/zinc/78/41/71/807784171.db2.gz BNONBLHKIPCRNQ-CYBMUJFWSA-N 1 1 265.422 3.478 20 30 CGEDMO N#CC1CCC(C[N@@H+]2CCC[C@@H](OC(F)F)C2)CC1 ZINC001262253223 807841483 /nfs/dbraw/zinc/84/14/83/807841483.db2.gz LFPUSQPWUPYEMP-WXRRBKDZSA-N 1 1 272.339 3.020 20 30 CGEDMO CC[N@H+](CCC#N)[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170699435 807877493 /nfs/dbraw/zinc/87/74/93/807877493.db2.gz HQCCJNJSSUIOQC-CYBMUJFWSA-N 1 1 264.319 3.058 20 30 CGEDMO CC[N@@H+](CCC#N)[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170699435 807877500 /nfs/dbraw/zinc/87/75/00/807877500.db2.gz HQCCJNJSSUIOQC-CYBMUJFWSA-N 1 1 264.319 3.058 20 30 CGEDMO C=C(CC(C)C)C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001263769287 808002658 /nfs/dbraw/zinc/00/26/58/808002658.db2.gz VRXLTEJMQGLWKL-MRXNPFEDSA-N 1 1 280.456 3.073 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC12CCCC2 ZINC001263817381 808008074 /nfs/dbraw/zinc/00/80/74/808008074.db2.gz UQEGOURIIMLFJJ-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C[C@H](Cc1cccc(C#N)c1)[N@@H+](C)CC1CC(F)(F)C1 ZINC001171222738 808012006 /nfs/dbraw/zinc/01/20/06/808012006.db2.gz ITSMCUPBVDMMEN-GFCCVEGCSA-N 1 1 278.346 3.466 20 30 CGEDMO COCC[C@@H]1CCCC[N@H+]1[C@H](C)Cc1cccc(C#N)c1 ZINC001171221867 808012434 /nfs/dbraw/zinc/01/24/34/808012434.db2.gz WICHEUZPZJCUJR-QAPCUYQASA-N 1 1 286.419 3.380 20 30 CGEDMO CC(C)[N@@H+]([C@@H](C)Cc1cccc(C#N)c1)C1CCN(C)CC1 ZINC001171231047 808015394 /nfs/dbraw/zinc/01/53/94/808015394.db2.gz HBJDETJXRAKHGE-INIZCTEOSA-N 1 1 299.462 3.294 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)CC2(C)CC2)[C@H]1CC ZINC001264058358 808031597 /nfs/dbraw/zinc/03/15/97/808031597.db2.gz PELHKNJCIQTFSY-LSDHHAIUSA-N 1 1 278.440 3.112 20 30 CGEDMO C=CCC1(C(=O)N[C@H]2CC[N@H+](CCC)[C@@H]2C)CCCC1 ZINC001264177932 808045254 /nfs/dbraw/zinc/04/52/54/808045254.db2.gz KHPHLJXKODGSHZ-CABCVRRESA-N 1 1 278.440 3.112 20 30 CGEDMO C#CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)CCCCCC ZINC001264187271 808046454 /nfs/dbraw/zinc/04/64/54/808046454.db2.gz LZVRYTZQCADSIA-KRWDZBQOSA-N 1 1 292.467 3.293 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)CC=C ZINC001264373768 808062522 /nfs/dbraw/zinc/06/25/22/808062522.db2.gz YSWJMEFCKSGUSG-HZPDHXFCSA-N 1 1 292.467 3.476 20 30 CGEDMO C#CC[C@@H]1CCC[N@H+](C[C@H]2CC(C)(C)OC2(C)C)C1 ZINC001171491033 808075380 /nfs/dbraw/zinc/07/53/80/808075380.db2.gz RQSONYVWTGKZEQ-HUUCEWRRSA-N 1 1 263.425 3.315 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)CC1CCCC1 ZINC001264737559 808090348 /nfs/dbraw/zinc/09/03/48/808090348.db2.gz HNSKMKLPXSQVSD-KRWDZBQOSA-N 1 1 292.467 3.456 20 30 CGEDMO C#C[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(Cl)c(Cl)c2)C1 ZINC001171572932 808101190 /nfs/dbraw/zinc/10/11/90/808101190.db2.gz NANUEORGWPLTGY-XHDPSFHLSA-N 1 1 298.213 3.372 20 30 CGEDMO C=C[C@](C)(CC)C(=O)NCCC[N@@H+](C)CC1CC(C)(C)C1 ZINC001265032504 808105078 /nfs/dbraw/zinc/10/50/78/808105078.db2.gz XGBPDQZHXQSGLN-GOSISDBHSA-N 1 1 294.483 3.463 20 30 CGEDMO CC#CC[N@@H+](CC)CCCNC(=O)c1ccc(C2CC2)cc1 ZINC001265147855 808113665 /nfs/dbraw/zinc/11/36/65/808113665.db2.gz MWBJVFFARANEMX-UHFFFAOYSA-N 1 1 298.430 3.029 20 30 CGEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)/C=C(\C)C2CC2)CC1 ZINC001265188496 808117105 /nfs/dbraw/zinc/11/71/05/808117105.db2.gz YSAVVGDKILNAJL-ZRDIBKRKSA-N 1 1 296.842 3.018 20 30 CGEDMO C[C@@H]1C[C@@H](N2CCC(CC#N)CC2)C[N@@H+]1Cc1ccccc1 ZINC001171760823 808132266 /nfs/dbraw/zinc/13/22/66/808132266.db2.gz ALYLAOXRYKJQKR-VQIMIIECSA-N 1 1 297.446 3.275 20 30 CGEDMO C[C@@H]1C[C@@H](N2CCC(CC#N)CC2)C[N@H+]1Cc1ccccc1 ZINC001171760823 808132269 /nfs/dbraw/zinc/13/22/69/808132269.db2.gz ALYLAOXRYKJQKR-VQIMIIECSA-N 1 1 297.446 3.275 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1CC ZINC001265412119 808141083 /nfs/dbraw/zinc/14/10/83/808141083.db2.gz YWVSKDPNNGFAEQ-DMRKSPOLSA-N 1 1 290.451 3.062 20 30 CGEDMO C=CC[C@H]1CCC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC001171840719 808148668 /nfs/dbraw/zinc/14/86/68/808148668.db2.gz GYMRNUAHIKXBDI-HNNXBMFYSA-N 1 1 270.376 3.225 20 30 CGEDMO CC#CCCCC(=O)NC[C@H]1CCC[N@H+](CCCCC)C1 ZINC001265588846 808158376 /nfs/dbraw/zinc/15/83/76/808158376.db2.gz JHCPGBIEDFGYQV-QGZVFWFLSA-N 1 1 292.467 3.198 20 30 CGEDMO CC1(C)C[C@@H](NCC2(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC001171977494 808162920 /nfs/dbraw/zinc/16/29/20/808162920.db2.gz BLDCFFPZDNRHGH-KRWDZBQOSA-N 1 1 297.446 3.323 20 30 CGEDMO C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC1(C)C ZINC001265652403 808164117 /nfs/dbraw/zinc/16/41/17/808164117.db2.gz VIRYDGRYKNYUOY-CVEARBPZSA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CC2CCCC2)C1 ZINC001265697621 808170581 /nfs/dbraw/zinc/17/05/81/808170581.db2.gz VAMMXLPXPWWPEN-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=C1CC=C(F)C=C1N[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172116573 808180267 /nfs/dbraw/zinc/18/02/67/808180267.db2.gz HXIKVULXHQVGQE-QDMKHBRRSA-N 1 1 262.372 3.289 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCCNC(=O)c1cccc2[nH]ccc21 ZINC001265927370 808194422 /nfs/dbraw/zinc/19/44/22/808194422.db2.gz JHYXARJBJMLVSP-UHFFFAOYSA-N 1 1 299.418 3.186 20 30 CGEDMO C=C(C)C[N@H+](CC)CCCNC(=O)[C@H]1CCC[C@H]1CC ZINC001266080546 808208489 /nfs/dbraw/zinc/20/84/89/808208489.db2.gz LSDPAXKEWSZNBT-CVEARBPZSA-N 1 1 280.456 3.217 20 30 CGEDMO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1CC[C@H](c2ccccn2)C1 ZINC001172307998 808223108 /nfs/dbraw/zinc/22/31/08/808223108.db2.gz RYVNQXITWPKYQT-QAPCUYQASA-N 1 1 291.398 3.374 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)=C2CCC2)C1 ZINC001266216036 808228227 /nfs/dbraw/zinc/22/82/27/808228227.db2.gz PIPXQKVZKWTDCW-MRXNPFEDSA-N 1 1 276.424 3.034 20 30 CGEDMO CCCC[N@H+]1CCC[C@H]1CCCNC(=O)C#CC(C)(C)C ZINC001266214430 808228337 /nfs/dbraw/zinc/22/83/37/808228337.db2.gz CNGFGYQXHSXOTQ-MRXNPFEDSA-N 1 1 292.467 3.197 20 30 CGEDMO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1CCc2ncsc2C1 ZINC001172320110 808229043 /nfs/dbraw/zinc/22/90/43/808229043.db2.gz TWWCRONLYDEVPB-LBPRGKRZSA-N 1 1 283.400 3.004 20 30 CGEDMO C#CCCCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001266215326 808229093 /nfs/dbraw/zinc/22/90/93/808229093.db2.gz JELCYKJTNLUKTF-SJLPKXTDSA-N 1 1 298.430 3.132 20 30 CGEDMO C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)C(C)(C)C(C)C ZINC001266220599 808229835 /nfs/dbraw/zinc/22/98/35/808229835.db2.gz XMUHRKUFCIDJOU-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C)CCCCC)C1 ZINC001266242983 808231504 /nfs/dbraw/zinc/23/15/04/808231504.db2.gz KEYQDFUKVPEFPB-DLBZAZTESA-N 1 1 292.467 3.197 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)CC(C)C)C1 ZINC001266245798 808232395 /nfs/dbraw/zinc/23/23/95/808232395.db2.gz GTEMTIPDRCTXTI-OAHLLOKOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)C(CC)CC)C1 ZINC001266327197 808243712 /nfs/dbraw/zinc/24/37/12/808243712.db2.gz APTOLWVCNIGGTJ-GOEBONIOSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCC[N@H+](C)CCNC(=O)c1ccc2c(c1)CCC=C2 ZINC001266350878 808247020 /nfs/dbraw/zinc/24/70/20/808247020.db2.gz UZEJAHLDDFWPKX-UHFFFAOYSA-N 1 1 298.430 3.274 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc(C)cc1C ZINC001266354581 808248004 /nfs/dbraw/zinc/24/80/04/808248004.db2.gz FFOHYFRXAVPWAF-INIZCTEOSA-N 1 1 288.435 3.320 20 30 CGEDMO CCCCCCC[C@@H](CC)[N@@H+](C)CC(=O)N(C)C ZINC001172356547 808252465 /nfs/dbraw/zinc/25/24/65/808252465.db2.gz WULAZVBBHPTWEP-CQSZACIVSA-N 1 1 256.434 3.146 20 30 CGEDMO CCCCCCC[C@H](CC)[N@H+]1CC[C@H](O)[C@@](C)(CO)C1 ZINC001172359623 808253813 /nfs/dbraw/zinc/25/38/13/808253813.db2.gz ZDRYXEWNSNSJEW-YESZJQIVSA-N 1 1 285.472 3.191 20 30 CGEDMO C=C(C)C(C)(C)C(=O)NCC[N@H+](CC)CCC(C)(C)C ZINC001266408760 808259860 /nfs/dbraw/zinc/25/98/60/808259860.db2.gz SDYGEUFPQIBEHM-UHFFFAOYSA-N 1 1 282.472 3.463 20 30 CGEDMO C=CCCC(=O)NC[C@H]1CCC[N@H+]1[C@@H]1CCc2ccccc21 ZINC001266450591 808266898 /nfs/dbraw/zinc/26/68/98/808266898.db2.gz QTNSGGPWCICITF-SJLPKXTDSA-N 1 1 298.430 3.221 20 30 CGEDMO C[C@@H]1CC[C@H]([N@H+]2CCC3SC(=O)C=C3C2)C[C@H]1C ZINC001172374950 808269152 /nfs/dbraw/zinc/26/91/52/808269152.db2.gz QMTIAUORGOZJQV-MHDGFBEUSA-N 1 1 265.422 3.085 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)CC(C)(C)C=C)C1 ZINC001266458810 808269243 /nfs/dbraw/zinc/26/92/43/808269243.db2.gz CPXKBIKEEHFYSQ-INIZCTEOSA-N 1 1 292.467 3.335 20 30 CGEDMO C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)C2CC(C)(C)C2)C1 ZINC001266455848 808269534 /nfs/dbraw/zinc/26/95/34/808269534.db2.gz MFIHRYCTKKMAGG-HNNXBMFYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](F)C(C)C ZINC001266491196 808276150 /nfs/dbraw/zinc/27/61/50/808276150.db2.gz GVXWIDKJSZYRPY-WCVJEAGWSA-N 1 1 296.430 3.010 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](CNC(=O)C(C)C)C1 ZINC001266500313 808277246 /nfs/dbraw/zinc/27/72/46/808277246.db2.gz QHQRNWACKUCHMO-HNNXBMFYSA-N 1 1 268.445 3.051 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)CCC2CCCC2)C1 ZINC001266500170 808277684 /nfs/dbraw/zinc/27/76/84/808277684.db2.gz NALLUXANPAXUEO-OAHLLOKOSA-N 1 1 298.858 3.147 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)CCC2CCCC2)C1 ZINC001266500170 808277687 /nfs/dbraw/zinc/27/76/87/808277687.db2.gz NALLUXANPAXUEO-OAHLLOKOSA-N 1 1 298.858 3.147 20 30 CGEDMO C=CCC[N@@H+](CCC)CCNC(=O)[C@H]1CCCC2(CC2)C1 ZINC001266560166 808286656 /nfs/dbraw/zinc/28/66/56/808286656.db2.gz BXXHUQPRONVBEV-INIZCTEOSA-N 1 1 292.467 3.361 20 30 CGEDMO CC[C@@H](CC(C)C)[N@H+]1CCC2SC(=O)C=C2C1 ZINC001172404130 808292491 /nfs/dbraw/zinc/29/24/91/808292491.db2.gz YXBRCFVTDPGAHS-QWHCGFSZSA-N 1 1 253.411 3.085 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2(C)CC=CC2)C1 ZINC001266895590 808330329 /nfs/dbraw/zinc/33/03/29/808330329.db2.gz QFVIAFHKNXOIIL-HOTGVXAUSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2(C)CC=CC2)C1 ZINC001266895592 808331998 /nfs/dbraw/zinc/33/19/98/808331998.db2.gz QFVIAFHKNXOIIL-JKSUJKDBSA-N 1 1 290.451 3.136 20 30 CGEDMO C[C@@H](CCCC#N)[NH2+]C1(c2ccccc2Cl)COC1 ZINC001172486855 808347465 /nfs/dbraw/zinc/34/74/65/808347465.db2.gz HUWSLKLSOZCHEU-LBPRGKRZSA-N 1 1 278.783 3.237 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CCC[C@H]1CC(=O)OC(C)(C)C ZINC001172499578 808354490 /nfs/dbraw/zinc/35/44/90/808354490.db2.gz YNHFFMFZQZMPLS-KGLIPLIRSA-N 1 1 280.412 3.265 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)C[C@H](C)CC)C1 ZINC001267106826 808359685 /nfs/dbraw/zinc/35/96/85/808359685.db2.gz XLIWVBWPBFKOJC-CVEARBPZSA-N 1 1 280.456 3.312 20 30 CGEDMO C[C@H](CCCC#N)[N@H+]1CC[C@H](Oc2ccccc2)C1 ZINC001172504249 808361018 /nfs/dbraw/zinc/36/10/18/808361018.db2.gz FIGRWUQHTASVGN-ZBFHGGJFSA-N 1 1 258.365 3.222 20 30 CGEDMO C[C@@H](CCCC#N)[N@H+]1CCOC[C@@H]1C1CCCCC1 ZINC001172509784 808366537 /nfs/dbraw/zinc/36/65/37/808366537.db2.gz QPJOJWAYIGTJBR-GOEBONIOSA-N 1 1 264.413 3.350 20 30 CGEDMO C=CC(C)(C)C(=O)NCCC[C@@H]1CCC[N@H+]1C/C=C\Cl ZINC001267170865 808372821 /nfs/dbraw/zinc/37/28/21/808372821.db2.gz APOHNDQHSMTEJM-JKEYDSJLSA-N 1 1 298.858 3.312 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)c1cc(C)cc(C)c1 ZINC001267227233 808387336 /nfs/dbraw/zinc/38/73/36/808387336.db2.gz IHQUBVJIYZFJDX-MRXNPFEDSA-N 1 1 288.435 3.320 20 30 CGEDMO C=C(C)C[N@@H+](CC)CCNC(=O)c1cscc1Cl ZINC001267243534 808391676 /nfs/dbraw/zinc/39/16/76/808391676.db2.gz XWFMGVXEWMKMGA-UHFFFAOYSA-N 1 1 286.828 3.029 20 30 CGEDMO C=C(Cl)C[N@H+](CCCNC(=O)C1=CCCC1)C(C)C ZINC001267244155 808393133 /nfs/dbraw/zinc/39/31/33/808393133.db2.gz XCKWUFFFSKARCL-UHFFFAOYSA-N 1 1 284.831 3.066 20 30 CGEDMO CC1(C)CC([N@H+]2CCC[C@@H](C#N)CC2)CC(C)(C)O1 ZINC001172658803 808412644 /nfs/dbraw/zinc/41/26/44/808412644.db2.gz CUGJCNWXZQGSOY-CYBMUJFWSA-N 1 1 264.413 3.348 20 30 CGEDMO CC#CC[N@@H+](CCC)CCNC(=O)C[C@@H]1CCCC[C@@H]1C ZINC001267320639 808413190 /nfs/dbraw/zinc/41/31/90/808413190.db2.gz QLAOULILYPMKBL-IRXDYDNUSA-N 1 1 292.467 3.054 20 30 CGEDMO C=CC[N@H+](CCCNC(=O)[C@H]1CC[C@H](C)CC1)C(C)C ZINC001267335172 808417572 /nfs/dbraw/zinc/41/75/72/808417572.db2.gz XPDOCKRIABFLDB-WKILWMFISA-N 1 1 280.456 3.215 20 30 CGEDMO C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H](C)CCCC)C1 ZINC001267459534 808429753 /nfs/dbraw/zinc/42/97/53/808429753.db2.gz KTBQILPWPXZGMZ-IAGOWNOFSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC[N@H+](CCCNC(=O)c1cscc1C)C(C)C ZINC001267499352 808433362 /nfs/dbraw/zinc/43/33/62/808433362.db2.gz SNTKNYMJZRYULV-UHFFFAOYSA-N 1 1 294.464 3.463 20 30 CGEDMO C=CCCCC[N@H+](C)[C@@H](C)CCC(=O)OC(C)C ZINC001172772809 808436557 /nfs/dbraw/zinc/43/65/57/808436557.db2.gz HSCWDTJIEQYINI-AWEZNQCLSA-N 1 1 255.402 3.395 20 30 CGEDMO C=C(C)C[N@H+](CCCNC(=O)[C@@H]1C[C@@]1(C)C(C)C)C(C)C ZINC001267512036 808437284 /nfs/dbraw/zinc/43/72/84/808437284.db2.gz YUSJMFWJTAKWMZ-WMZOPIPTSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)C(C)(C)C(C)C)C1 ZINC001267530355 808441300 /nfs/dbraw/zinc/44/13/00/808441300.db2.gz ADENEOLCPMIGAJ-MRXNPFEDSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCC ZINC001267533693 808441437 /nfs/dbraw/zinc/44/14/37/808441437.db2.gz KSECMUXJYYJGTI-GASCZTMLSA-N 1 1 278.440 3.064 20 30 CGEDMO C=CC[N@H+]([C@@H]1CCC[C@H](C(=O)OC)CC1)C(C)(C)C ZINC001172803851 808441903 /nfs/dbraw/zinc/44/19/03/808441903.db2.gz RDHUGRUEVYFXLJ-UONOGXRCSA-N 1 1 267.413 3.395 20 30 CGEDMO C#CCCCC(=O)N(CCC)[C@H]1CC[N@@H+](CCC(=C)C)C1 ZINC001267540944 808442205 /nfs/dbraw/zinc/44/22/05/808442205.db2.gz RMRIATVXJGXKOQ-KRWDZBQOSA-N 1 1 290.451 3.069 20 30 CGEDMO C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)C2(C)CCCC2)C1 ZINC001267553038 808446362 /nfs/dbraw/zinc/44/63/62/808446362.db2.gz YBPHQODQSSGTHC-MRXNPFEDSA-N 1 1 292.467 3.361 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001267565152 808447282 /nfs/dbraw/zinc/44/72/82/808447282.db2.gz JVQCDIMMOALGAA-BRWVUGGUSA-N 1 1 292.467 3.217 20 30 CGEDMO C=CCC(C)(C)C(=O)NCC[C@@H]1CC[N@H+](C[C@H](C)CC)C1 ZINC001267567836 808450015 /nfs/dbraw/zinc/45/00/15/808450015.db2.gz QKJYOSNUGWPQFI-HZPDHXFCSA-N 1 1 294.483 3.463 20 30 CGEDMO C=CCCC(=O)N1CCC(C[N@H+](C)CC2CC(C)C2)CC1 ZINC001267597697 808454465 /nfs/dbraw/zinc/45/44/65/808454465.db2.gz GMCFAKKJFCDXOG-UHFFFAOYSA-N 1 1 292.467 3.169 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C)CC(C)C)C1 ZINC001267619697 808458650 /nfs/dbraw/zinc/45/86/50/808458650.db2.gz ZBPHFTKGAHMBLM-JKSUJKDBSA-N 1 1 280.456 3.215 20 30 CGEDMO CC#CCCCC(=O)N[C@H]1CCC[N@H+](CC(CC)CC)C1 ZINC001267628817 808460359 /nfs/dbraw/zinc/46/03/59/808460359.db2.gz DFYRCHZRMYSYLQ-KRWDZBQOSA-N 1 1 292.467 3.197 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)/C=C/c2ccco2)C1 ZINC001267636425 808462853 /nfs/dbraw/zinc/46/28/53/808462853.db2.gz ZXTHJYNYINSMBU-MDZDMXLPSA-N 1 1 290.407 3.064 20 30 CGEDMO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)CCC=C(C)C ZINC001267711906 808475178 /nfs/dbraw/zinc/47/51/78/808475178.db2.gz HKFDULXCDJXEPP-IKGGRYGDSA-N 1 1 290.451 3.230 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H](C)CCC=C(C)C ZINC001267711906 808475183 /nfs/dbraw/zinc/47/51/83/808475183.db2.gz HKFDULXCDJXEPP-IKGGRYGDSA-N 1 1 290.451 3.230 20 30 CGEDMO C=C(C)CC[N@H+](C)CC1CCN(C(=O)/C(C)=C/CC)CC1 ZINC001267718639 808476911 /nfs/dbraw/zinc/47/69/11/808476911.db2.gz PAYISIWGQIMLLU-FRKPEAEDSA-N 1 1 292.467 3.479 20 30 CGEDMO CCCCCCC[N@H+]1CC[C@@H](NC(=O)C=C(C)C)C1 ZINC001267736805 808480954 /nfs/dbraw/zinc/48/09/54/808480954.db2.gz MXYZACWKEFFMIG-OAHLLOKOSA-N 1 1 266.429 3.114 20 30 CGEDMO C=C(C)C[N@@H+](C)CC1CCN(C(=O)C2(C)CC=CC2)CC1 ZINC001267745651 808482255 /nfs/dbraw/zinc/48/22/55/808482255.db2.gz ABVMDSAHVUJBCY-UHFFFAOYSA-N 1 1 290.451 3.089 20 30 CGEDMO C=CCCC(=O)N(CC)[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001267781060 808490133 /nfs/dbraw/zinc/49/01/33/808490133.db2.gz BANAXBGTHXRPKI-HNNXBMFYSA-N 1 1 292.448 3.137 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)/C=C(\C)C2CC2)C1 ZINC001267782043 808491286 /nfs/dbraw/zinc/49/12/86/808491286.db2.gz QAAIAXIXWUDDMX-VOGRQWBCSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)C/C=C(\C)C=C)C1 ZINC001267791769 808493687 /nfs/dbraw/zinc/49/36/87/808493687.db2.gz QPSIHXKVEWRUSI-LRQZKABGSA-N 1 1 276.424 3.008 20 30 CGEDMO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@H+](C)CCC#N ZINC001173090291 808505012 /nfs/dbraw/zinc/50/50/12/808505012.db2.gz KASSGJXFBHBTKP-LLVKDONJSA-N 1 1 286.297 3.362 20 30 CGEDMO C[C@H](Cc1ccc(OC(F)(F)F)cc1)[N@@H+](C)CCC#N ZINC001173090291 808505017 /nfs/dbraw/zinc/50/50/17/808505017.db2.gz KASSGJXFBHBTKP-LLVKDONJSA-N 1 1 286.297 3.362 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](CC)CC(C)C)C1 ZINC001268112721 808544119 /nfs/dbraw/zinc/54/41/19/808544119.db2.gz UHXKCAFSKIHJLA-HZPDHXFCSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CCC(CC[N@@H+](C)CC)CC1 ZINC001268200244 808555861 /nfs/dbraw/zinc/55/58/61/808555861.db2.gz SGSMOMLOKYEMNI-OAHLLOKOSA-N 1 1 280.456 3.169 20 30 CGEDMO C=CCCC[N@H+](C)CCN(C)C(=O)CC1CC(C)(C)C1 ZINC001268248234 808567444 /nfs/dbraw/zinc/56/74/44/808567444.db2.gz VFNGGMKISUWIHO-UHFFFAOYSA-N 1 1 280.456 3.169 20 30 CGEDMO CCCCCCC[NH+]1CC(NC(=O)[C@H]2CC=CCC2)C1 ZINC001268247815 808568252 /nfs/dbraw/zinc/56/82/52/808568252.db2.gz GDNCSKLBVGNBHC-HNNXBMFYSA-N 1 1 278.440 3.114 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)C1(F)CCCCC1 ZINC001268254558 808569207 /nfs/dbraw/zinc/56/92/07/808569207.db2.gz VERZOTUWUWLVNR-HNNXBMFYSA-N 1 1 298.446 3.404 20 30 CGEDMO C=CCCC[N@H+]1CC[C@H]2CN(C(=O)c3ccccc3)CC[C@@H]21 ZINC001268260457 808572185 /nfs/dbraw/zinc/57/21/85/808572185.db2.gz VKOLGVXAKKSUPG-ROUUACIJSA-N 1 1 298.430 3.189 20 30 CGEDMO C=CCCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccccc3)CC[C@H]21 ZINC001268260456 808572197 /nfs/dbraw/zinc/57/21/97/808572197.db2.gz VKOLGVXAKKSUPG-QZTJIDSGSA-N 1 1 298.430 3.189 20 30 CGEDMO C=CCCCCC[NH+]1CC(NC(=O)[C@@H]2CCC[C@H]2CC)C1 ZINC001268447123 808588229 /nfs/dbraw/zinc/58/82/29/808588229.db2.gz PHPJVRYOMMXTSR-NVXWUHKLSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CCOC1CCC([N@H+](C)[C@H](C(=O)OC)[C@@H](C)CC)CC1 ZINC001173322757 808611649 /nfs/dbraw/zinc/61/16/49/808611649.db2.gz LFYDXVVHGUFPMY-LBDPXKHJSA-N 1 1 297.439 3.020 20 30 CGEDMO N#CCC1CCC(n2cc(C(=O)C[NH3+])c3ccccc32)CC1 ZINC001173329387 808615191 /nfs/dbraw/zinc/61/51/91/808615191.db2.gz GXAJAWLAJPGWCT-UHFFFAOYSA-N 1 1 295.386 3.428 20 30 CGEDMO N#CCC1CCC([N@H+]2CC[C@@]3(C2)CCCCO3)CC1 ZINC001173331926 808615902 /nfs/dbraw/zinc/61/59/02/808615902.db2.gz VCPDFPVNXQVHLJ-UYSNPLJNSA-N 1 1 262.397 3.104 20 30 CGEDMO CCOC(=O)C[C@@H]1CCC[N@H+](C2CCC(CC#N)CC2)C1 ZINC001173331013 808616300 /nfs/dbraw/zinc/61/63/00/808616300.db2.gz JQJKSUZHAULMCD-PCKAHOCUSA-N 1 1 292.423 3.124 20 30 CGEDMO C[N@@H+](Cc1cnc2ccccn12)C1CCC(CC#N)CC1 ZINC001173331188 808616392 /nfs/dbraw/zinc/61/63/92/808616392.db2.gz MRAPVZTYOMUKEN-UHFFFAOYSA-N 1 1 282.391 3.239 20 30 CGEDMO N#CCC1CCC([N@H+]2CCOC[C@H]2Cc2ccccc2)CC1 ZINC001173336663 808617420 /nfs/dbraw/zinc/61/74/20/808617420.db2.gz ILVMBVNUBQJXRD-NKELODKYSA-N 1 1 298.430 3.402 20 30 CGEDMO CCOC(=O)[C@]1(C)CCC[N@H+](C2CCC(CC#N)CC2)C1 ZINC001173336508 808617835 /nfs/dbraw/zinc/61/78/35/808617835.db2.gz BQAZOPQFMDNWJN-VMBOVVBDSA-N 1 1 292.423 3.124 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)C(C)(C)C1CCCC1 ZINC001268734749 808618628 /nfs/dbraw/zinc/61/86/28/808618628.db2.gz ZNFAKEMCAJOZFP-AWEZNQCLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=CCCCC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccc(F)cc1 ZINC001268742763 808619696 /nfs/dbraw/zinc/61/96/96/808619696.db2.gz KZQLYKPWFJQTAY-AWEZNQCLSA-N 1 1 292.398 3.119 20 30 CGEDMO Cc1ccc(O[C@H]2CC[N@H+](C3CCC(CC#N)CC3)C2)nc1 ZINC001173339454 808620360 /nfs/dbraw/zinc/62/03/60/808620360.db2.gz ICKJRVZXVSAOGH-JCYILVPMSA-N 1 1 299.418 3.316 20 30 CGEDMO C=CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cccc2cc[nH]c21 ZINC001268744732 808622208 /nfs/dbraw/zinc/62/22/08/808622208.db2.gz AWACLUVETNZFHJ-CQSZACIVSA-N 1 1 299.418 3.184 20 30 CGEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(C)cc1F ZINC001268746632 808622532 /nfs/dbraw/zinc/62/25/32/808622532.db2.gz QXUWZPVQWRXWDU-CQSZACIVSA-N 1 1 292.398 3.150 20 30 CGEDMO C=C(C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](C)CC(C)C ZINC001268947154 808636171 /nfs/dbraw/zinc/63/61/71/808636171.db2.gz CYLLFQJCKVPYOH-ULQDDVLXSA-N 1 1 292.467 3.310 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CC[C@@H](c3ccccn3)C2)CC1 ZINC001173596535 808649851 /nfs/dbraw/zinc/64/98/51/808649851.db2.gz ZXFANMZFYJVARW-HPUBIQBYSA-N 1 1 269.392 3.343 20 30 CGEDMO CC1(C#N)CCC([N@H+]2CCOC3(CCCCC3)C2)CC1 ZINC001173598343 808651123 /nfs/dbraw/zinc/65/11/23/808651123.db2.gz PLLNMLVFYKHSCX-UHFFFAOYSA-N 1 1 276.424 3.494 20 30 CGEDMO C[N@@H+](CC1CC(F)(F)C1)C1CCC(C)(C#N)CC1 ZINC001173599917 808651289 /nfs/dbraw/zinc/65/12/89/808651289.db2.gz SVDDTTQKKQOHCB-UHFFFAOYSA-N 1 1 256.340 3.436 20 30 CGEDMO C=CCCCC[N@H+](C)[C@@H]1CC[C@@H](CC(=O)OCC)C1 ZINC001173655855 808660829 /nfs/dbraw/zinc/66/08/29/808660829.db2.gz BULGSDBTOYCGBC-HUUCEWRRSA-N 1 1 267.413 3.396 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)C(C)(CC)CC)C1 ZINC001269297194 808665389 /nfs/dbraw/zinc/66/53/89/808665389.db2.gz VOHMRJUYBJKZDL-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](CCC)CC(C)C)C1 ZINC001269303204 808667612 /nfs/dbraw/zinc/66/76/12/808667612.db2.gz ZMYNSDORACFHQT-IRXDYDNUSA-N 1 1 292.467 3.005 20 30 CGEDMO C=CC(C)(C)CC(=O)N(CC)[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001269332509 808671194 /nfs/dbraw/zinc/67/11/94/808671194.db2.gz RTJRANVMTCHAQW-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)CCCCC(C)C)C1 ZINC001269348890 808672761 /nfs/dbraw/zinc/67/27/61/808672761.db2.gz OPGYNTIJDKWLPZ-KRWDZBQOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCC1(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3CCC)CCC1 ZINC001269671402 808696371 /nfs/dbraw/zinc/69/63/71/808696371.db2.gz RZJSOKFYGZSWOY-IYBDPMFKSA-N 1 1 290.451 3.208 20 30 CGEDMO C=CCCCC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC)C2 ZINC001269691725 808697140 /nfs/dbraw/zinc/69/71/40/808697140.db2.gz GKMKOWJORXYXML-KRWDZBQOSA-N 1 1 278.440 3.067 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)C3(CCC)CCC3)C2)C1 ZINC001269738072 808702017 /nfs/dbraw/zinc/70/20/17/808702017.db2.gz YELAUYTXAXSWRX-KRWDZBQOSA-N 1 1 290.451 3.067 20 30 CGEDMO C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](C)C(C)(C)C)C1 ZINC001270966274 808756876 /nfs/dbraw/zinc/75/68/76/808756876.db2.gz WXEDGEHDWWRKDR-CRAIPNDOSA-N 1 1 294.483 3.463 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CC(C)=C(C)C)CC[C@@H]21 ZINC001272215674 808800248 /nfs/dbraw/zinc/80/02/48/808800248.db2.gz JEBQZMQISNFPAK-SJORKVTESA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2CC(CC)CC ZINC001272424288 808808285 /nfs/dbraw/zinc/80/82/85/808808285.db2.gz NWAUFPKWEULVQQ-GOSISDBHSA-N 1 1 292.467 3.456 20 30 CGEDMO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2C[C@H](C)CCC ZINC001272429334 808808412 /nfs/dbraw/zinc/80/84/12/808808412.db2.gz CBYVGBWDTBDSSQ-NVXWUHKLSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2C[C@H](C)CCC ZINC001272432103 808809002 /nfs/dbraw/zinc/80/90/02/808809002.db2.gz ZDSKKMHJCPMLGR-SJLPKXTDSA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2C[C@H](C)CCC)C1=O ZINC001272432003 808809640 /nfs/dbraw/zinc/80/96/40/808809640.db2.gz YIJQZTTUYQIGFG-WBVHZDCISA-N 1 1 278.440 3.066 20 30 CGEDMO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCCCCCCC ZINC001272479134 808813779 /nfs/dbraw/zinc/81/37/79/808813779.db2.gz XJLUCBZWCUYFCV-IAGOWNOFSA-N 1 1 290.451 3.045 20 30 CGEDMO C=CCN1CC[C@@]2(CCC[N@@H+]2Cc2cccc(C)c2C)C1=O ZINC001272678407 808820050 /nfs/dbraw/zinc/82/00/50/808820050.db2.gz MAIANBCADUHJGT-IBGZPJMESA-N 1 1 298.430 3.056 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@]2(CCN(CC(C)C)C2=O)C1 ZINC001272699804 808821882 /nfs/dbraw/zinc/82/18/82/808821882.db2.gz OMNDTXKPESCMSJ-GOSISDBHSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCCCCC[N@H+]1CCCC[C@@]12CC(=O)N(CC=C)C2 ZINC001272700396 808822187 /nfs/dbraw/zinc/82/21/87/808822187.db2.gz WPMQUYADBFLRDK-SFHVURJKSA-N 1 1 290.451 3.376 20 30 CGEDMO N#Cc1ncc(Cl)cc1Nc1cc[nH+]c2ccccc12 ZINC001174038655 808836971 /nfs/dbraw/zinc/83/69/71/808836971.db2.gz VTAFBXGCZOVPMF-UHFFFAOYSA-N 1 1 280.718 3.320 20 30 CGEDMO C=CCC[C@H](C)[N@@H+](C)CCCN(C)C(=O)C#CC(C)(C)C ZINC001273507750 808850428 /nfs/dbraw/zinc/85/04/28/808850428.db2.gz LSQPSWWNBBRXQB-INIZCTEOSA-N 1 1 292.467 3.171 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CCCC)C(C)(C)C1 ZINC001274414071 808874474 /nfs/dbraw/zinc/87/44/74/808874474.db2.gz ADIHEHAAOXZHQR-OAHLLOKOSA-N 1 1 280.456 3.360 20 30 CGEDMO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](CCC(=C)C)[C@H](C)C1 ZINC001274626575 808879834 /nfs/dbraw/zinc/87/98/34/808879834.db2.gz ZIMXEJSYDZVSLS-HZPDHXFCSA-N 1 1 278.440 3.278 20 30 CGEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)CCCCC)C[C@H]1C ZINC001274663030 808881328 /nfs/dbraw/zinc/88/13/28/808881328.db2.gz QUJRNGKPMNWOBA-HZPDHXFCSA-N 1 1 292.467 3.195 20 30 CGEDMO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)c1cccc(C)c1C ZINC001275167622 808919036 /nfs/dbraw/zinc/91/90/36/808919036.db2.gz QWXLVWDZMILAAH-MRXNPFEDSA-N 1 1 286.419 3.026 20 30 CGEDMO C=CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001275558774 808949222 /nfs/dbraw/zinc/94/92/22/808949222.db2.gz FMIQSAHACRYJCS-HRCADAONSA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)C[N@H+](C)C[C@H](C)NC(=O)C[C@@H](C)CC(C)C ZINC001275697190 808958602 /nfs/dbraw/zinc/95/86/02/808958602.db2.gz GITXRYMICUIWQA-GJZGRUSLSA-N 1 1 268.445 3.071 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H](C)CNC(=O)c1cc(F)ccc1CC ZINC001275872819 808971887 /nfs/dbraw/zinc/97/18/87/808971887.db2.gz FKOYUTKUDPUOKR-CYBMUJFWSA-N 1 1 292.398 3.014 20 30 CGEDMO C=CCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2Cc1ccc[nH]1 ZINC001276034790 808985103 /nfs/dbraw/zinc/98/51/03/808985103.db2.gz BZLHFUPBIXSGQY-HDICACEKSA-N 1 1 287.451 3.410 20 30 CGEDMO N#Cc1cccc(NC2=CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC001174392545 808990986 /nfs/dbraw/zinc/99/09/86/808990986.db2.gz FFTSNLVQNUDFQW-UHFFFAOYSA-N 1 1 290.370 3.155 20 30 CGEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)C=C(CC)CC)C(C)(C)C1 ZINC001276570003 809016992 /nfs/dbraw/zinc/01/69/92/809016992.db2.gz KBUBMOARXPCJNX-OAHLLOKOSA-N 1 1 278.440 3.136 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1C[N@H+](C/C=C\Cl)CC1(C)C ZINC001276602372 809021046 /nfs/dbraw/zinc/02/10/46/809021046.db2.gz ZHOALFHDSNFACB-WSROAFLRSA-N 1 1 298.858 3.168 20 30 CGEDMO C=C(C)C(C)(C)C(=O)N[C@H]1C[N@@H+](C/C=C\Cl)CC1(C)C ZINC001276602372 809021054 /nfs/dbraw/zinc/02/10/54/809021054.db2.gz ZHOALFHDSNFACB-WSROAFLRSA-N 1 1 298.858 3.168 20 30 CGEDMO C=CC[N@@H+]1CCCC2(CN(C(=O)C[C@@H](C)CC(C)C)C2)C1 ZINC001276886462 809042024 /nfs/dbraw/zinc/04/20/24/809042024.db2.gz KJIGMBHICZXCMK-INIZCTEOSA-N 1 1 292.467 3.169 20 30 CGEDMO CC#CCCCC(=O)NC[C@H]1CC[N@H+]1[C@@H](C)c1ccccc1 ZINC001276908880 809043212 /nfs/dbraw/zinc/04/32/12/809043212.db2.gz MLMRXBIJRXOIDB-FUHWJXTLSA-N 1 1 298.430 3.132 20 30 CGEDMO N#Cc1ccc(F)c(N2CC3(C2)CC[N@H+](C2CCCC2)C3)c1 ZINC001277023258 809053676 /nfs/dbraw/zinc/05/36/76/809053676.db2.gz GENFHLKHPPONCZ-UHFFFAOYSA-N 1 1 299.393 3.152 20 30 CGEDMO C[N@H+]1CCC[C@]2(CCCN(c3ccc(F)c(C#N)c3)C2)C1 ZINC001277034901 809055529 /nfs/dbraw/zinc/05/55/29/809055529.db2.gz CBQKOENOBAKOML-KRWDZBQOSA-N 1 1 287.382 3.010 20 30 CGEDMO C=CCCC(=O)N1CCCC[C@H]1[C@@H]1CC[N@H+](CCC)C1 ZINC001277283814 809067252 /nfs/dbraw/zinc/06/72/52/809067252.db2.gz HERGOCNNZDDTRV-CVEARBPZSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCC)C1 ZINC001277284553 809067845 /nfs/dbraw/zinc/06/78/45/809067845.db2.gz LVTROCUCPUCGQQ-DLBZAZTESA-N 1 1 292.467 3.456 20 30 CGEDMO C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)CCCC ZINC001277339964 809069641 /nfs/dbraw/zinc/06/96/41/809069641.db2.gz NFCLJXQGFIVVSW-ZACQAIPSSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCC[N@H+](CCNC(=O)[C@H]1C[C@H]1C)C1CCCCCC1 ZINC001277369419 809071261 /nfs/dbraw/zinc/07/12/61/809071261.db2.gz YDNQVOVNGNTZOP-WBVHZDCISA-N 1 1 292.467 3.360 20 30 CGEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)CCCC2CC2)CC1 ZINC001277422463 809074885 /nfs/dbraw/zinc/07/48/85/809074885.db2.gz FLYLJWLLTVFEGF-UHFFFAOYSA-N 1 1 298.858 3.242 20 30 CGEDMO C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C)C(CC)CC)C2)C1 ZINC001277526172 809078761 /nfs/dbraw/zinc/07/87/61/809078761.db2.gz YGFKDWKAYFDBHC-QAPCUYQASA-N 1 1 292.467 3.169 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@@]2(CC[N@H+](CC(=C)Cl)C2)C1 ZINC001277515874 809078989 /nfs/dbraw/zinc/07/89/89/809078989.db2.gz CZUPREZBADYCEN-MRXNPFEDSA-N 1 1 296.842 3.020 20 30 CGEDMO C=C(C)CCC(=O)N1CC[C@@]2(CC[N@@H+](CC(=C)Cl)C2)C1 ZINC001277515874 809078994 /nfs/dbraw/zinc/07/89/94/809078994.db2.gz CZUPREZBADYCEN-MRXNPFEDSA-N 1 1 296.842 3.020 20 30 CGEDMO C=CCCC[N@H+]1CC[C@]2(NC(=O)CCC=C)CCC[C@@H]12 ZINC001278441169 809133484 /nfs/dbraw/zinc/13/34/84/809133484.db2.gz XJGOORZEERLTLO-NVXWUHKLSA-N 1 1 276.424 3.032 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H](CC)CC(C)C)C1 ZINC001278437199 809133834 /nfs/dbraw/zinc/13/38/34/809133834.db2.gz AANXWKOMEOSFCN-RDJZCZTQSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C(=C)C)[C@H]1C ZINC001278516351 809139308 /nfs/dbraw/zinc/13/93/08/809139308.db2.gz RGABNJRPWZMNQZ-HUUCEWRRSA-N 1 1 278.440 3.134 20 30 CGEDMO C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)c2ccccc2)C1 ZINC001278641349 809148429 /nfs/dbraw/zinc/14/84/29/809148429.db2.gz GEQNKXWIYGZBAG-SFHVURJKSA-N 1 1 286.419 3.095 20 30 CGEDMO CC#CC[N@H+](C)CCN(C(=O)[C@H](CC)CCC)C(C)C ZINC001278926245 809156720 /nfs/dbraw/zinc/15/67/20/809156720.db2.gz FAHXYOSMEGBHBC-MRXNPFEDSA-N 1 1 280.456 3.005 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C(C)(C)CC ZINC001279575919 809174798 /nfs/dbraw/zinc/17/47/98/809174798.db2.gz JQGPTTBAGZOKJN-HOTGVXAUSA-N 1 1 292.467 3.454 20 30 CGEDMO C=CCCC(=O)N[C@H]1CCC[N@H+]([C@H](C)CCC=C)CC1 ZINC001280712392 809195879 /nfs/dbraw/zinc/19/58/79/809195879.db2.gz XYZAZTQPLVHBLH-CVEARBPZSA-N 1 1 278.440 3.278 20 30 CGEDMO C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)C12CCC(CC1)C2 ZINC001280824174 809200484 /nfs/dbraw/zinc/20/04/84/809200484.db2.gz YVVJEQUEQRAHDL-UHFFFAOYSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(Cl)C[N@H+](C)CCCN(C)C(=O)C12CCC(CC1)C2 ZINC001280824174 809200488 /nfs/dbraw/zinc/20/04/88/809200488.db2.gz YVVJEQUEQRAHDL-UHFFFAOYSA-N 1 1 298.858 3.100 20 30 CGEDMO C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@@]1(C)CCC[C@@H]1C ZINC001280855976 809202193 /nfs/dbraw/zinc/20/21/93/809202193.db2.gz GCNVBHCLBFYOAZ-RDJZCZTQSA-N 1 1 280.456 3.169 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CCC2CC2)C(C)(C)C1 ZINC001281543150 809213794 /nfs/dbraw/zinc/21/37/94/809213794.db2.gz YSUGWPULPYLIPC-CQSZACIVSA-N 1 1 298.858 3.146 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CCC2CC2)C(C)(C)C1 ZINC001281543150 809213797 /nfs/dbraw/zinc/21/37/97/809213797.db2.gz YSUGWPULPYLIPC-CQSZACIVSA-N 1 1 298.858 3.146 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C2CCC2)C(C)(C)C1 ZINC001281537217 809214093 /nfs/dbraw/zinc/21/40/93/809214093.db2.gz VKSBJFFNCKXRMI-GDBMZVCRSA-N 1 1 292.467 3.358 20 30 CGEDMO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](CCC(C)C)CC1(C)C ZINC001281553688 809215140 /nfs/dbraw/zinc/21/51/40/809215140.db2.gz RTPRWMQRPWCGQC-HNNXBMFYSA-N 1 1 294.483 3.461 20 30 CGEDMO C#CCCCCC(=O)N[C@H]1CC[N@H+](CCC(C)C)[C@H](C)C1 ZINC001281657412 809216729 /nfs/dbraw/zinc/21/67/29/809216729.db2.gz CWTPMVQZEGYEMA-SJORKVTESA-N 1 1 292.467 3.195 20 30 CGEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)C=C(CC)CC)C[C@H]1C ZINC001281656888 809216824 /nfs/dbraw/zinc/21/68/24/809216824.db2.gz AUVKVIJDLIYXJX-HIFRSBDPSA-N 1 1 298.858 3.454 20 30 CGEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C=C(CC)CC)C[C@H]1C ZINC001281656888 809216827 /nfs/dbraw/zinc/21/68/27/809216827.db2.gz AUVKVIJDLIYXJX-HIFRSBDPSA-N 1 1 298.858 3.454 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)CC(CC)CC)C[C@@H]1C ZINC001281682963 809218075 /nfs/dbraw/zinc/21/80/75/809218075.db2.gz GJBYQXCJDJOAHG-GOEBONIOSA-N 1 1 280.456 3.358 20 30 CGEDMO C#CC[N@H+](CC)CC1CCN(C(=O)CC(C)(C)CC)CC1 ZINC001281831532 809221077 /nfs/dbraw/zinc/22/10/77/809221077.db2.gz YTTDHJADFNWIEW-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C1(F)CCCCC1 ZINC001281964415 809226897 /nfs/dbraw/zinc/22/68/97/809226897.db2.gz GOHMRVMLDRLTQT-HNNXBMFYSA-N 1 1 296.430 3.158 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001282391609 809246474 /nfs/dbraw/zinc/24/64/74/809246474.db2.gz QVGSSBIITLOAGY-OWCLPIDISA-N 1 1 294.483 3.461 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)c1cc(C)sc1C ZINC001282421694 809246741 /nfs/dbraw/zinc/24/67/41/809246741.db2.gz CSJKSEKKLWLWCS-GFCCVEGCSA-N 1 1 294.464 3.381 20 30 CGEDMO C=CCC[N@H+](C)[C@H](C)CNC(=O)C1CCC(C)(C)CC1 ZINC001282497394 809252996 /nfs/dbraw/zinc/25/29/96/809252996.db2.gz NUDIWWYVCAHASZ-CQSZACIVSA-N 1 1 280.456 3.215 20 30 CGEDMO C#CCCCCC(=O)NC[C@H]1CCCCC[N@@H+]1CC(C)C ZINC001282668461 809259508 /nfs/dbraw/zinc/25/95/08/809259508.db2.gz YWLIHYBCVKRERU-QGZVFWFLSA-N 1 1 292.467 3.197 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](NC(=O)/C=C(/C)C2CC2)C(C)(C)C1 ZINC001282791955 809263857 /nfs/dbraw/zinc/26/38/57/809263857.db2.gz RGOUYDRNNYGULC-SCOADAFUSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CC1(CC(=O)N[C@H]2C[N@H+](CC)CC2(C)C)CCCCC1 ZINC001282833690 809264765 /nfs/dbraw/zinc/26/47/65/809264765.db2.gz QNDNKHDFPATXEG-HNNXBMFYSA-N 1 1 292.467 3.360 20 30 CGEDMO C=CC1(CC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CCCCC1 ZINC001293649859 809451731 /nfs/dbraw/zinc/45/17/31/809451731.db2.gz GDVYNXGTWPJBAN-INIZCTEOSA-N 1 1 292.467 3.313 20 30 CGEDMO C=CCC1(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CCCC1 ZINC001300859568 809574787 /nfs/dbraw/zinc/57/47/87/809574787.db2.gz UYOIONHMHZGPKM-OAHLLOKOSA-N 1 1 278.440 3.114 20 30 CGEDMO C#CC[C@H]1CC[N@H+](Cc2cc(OC)ccc2Cl)C1 ZINC001176070789 809614271 /nfs/dbraw/zinc/61/42/71/809614271.db2.gz QAOLRGHYQGWLND-LBPRGKRZSA-N 1 1 263.768 3.194 20 30 CGEDMO CCCCCCC[N@@H+]1CC(=O)NC[C@H]1c1ccccc1 ZINC001176390095 809683957 /nfs/dbraw/zinc/68/39/57/809683957.db2.gz GNAHAHWGHCZLCY-INIZCTEOSA-N 1 1 274.408 3.130 20 30 CGEDMO CCCCCCC[N@H+]1CC(=O)NC[C@H]1c1ccccc1 ZINC001176390095 809683962 /nfs/dbraw/zinc/68/39/62/809683962.db2.gz GNAHAHWGHCZLCY-INIZCTEOSA-N 1 1 274.408 3.130 20 30 CGEDMO CCCCCCCC[N@H+]1CC[C@@H](C(=O)OCC)C1 ZINC001176650931 809736070 /nfs/dbraw/zinc/73/60/70/809736070.db2.gz XBIGICURVFUEIU-CQSZACIVSA-N 1 1 255.402 3.232 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCCC[C@H]2[C@H]2CCCO2)ccc1F ZINC001176925613 809769716 /nfs/dbraw/zinc/76/97/16/809769716.db2.gz CIJCCYLNKPFKGY-DLBZAZTESA-N 1 1 288.366 3.231 20 30 CGEDMO CCC[N@@H+](CC)C[C@@H](C)NCc1c(C)cc(C#N)cc1C ZINC001178831388 809890755 /nfs/dbraw/zinc/89/07/55/809890755.db2.gz RTPNPDLSIMDXLD-MRXNPFEDSA-N 1 1 287.451 3.385 20 30 CGEDMO CCCN(CC)C[C@@H](C)[NH2+]Cc1c(C)cc(C#N)cc1C ZINC001178831388 809890762 /nfs/dbraw/zinc/89/07/62/809890762.db2.gz RTPNPDLSIMDXLD-MRXNPFEDSA-N 1 1 287.451 3.385 20 30 CGEDMO N#Cc1ccc(C[NH2+]Cc2cccc(F)c2F)s1 ZINC001178981346 809897041 /nfs/dbraw/zinc/89/70/41/809897041.db2.gz HDFPHOTUYVWKJH-UHFFFAOYSA-N 1 1 264.300 3.188 20 30 CGEDMO CC[N@H+](Cc1cc(C(C)C)ccc1O)C[C@H](C)C#N ZINC001180240491 809985706 /nfs/dbraw/zinc/98/57/06/809985706.db2.gz ZEDRURDHGPBBKZ-CYBMUJFWSA-N 1 1 260.381 3.497 20 30 CGEDMO CCCCCCC[C@@H](C)C(=O)NCCn1cc[nH+]c1C ZINC001181120834 810039203 /nfs/dbraw/zinc/03/92/03/810039203.db2.gz KYOQIZNWZNMVDV-CQSZACIVSA-N 1 1 279.428 3.304 20 30 CGEDMO CCCCCCC[C@@H](C)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC001181132454 810039769 /nfs/dbraw/zinc/03/97/69/810039769.db2.gz DDLRXQVRUXVLGH-CABCVRRESA-N 1 1 268.445 3.193 20 30 CGEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCCC3)C1 ZINC001182604985 810117233 /nfs/dbraw/zinc/11/72/33/810117233.db2.gz PCDJUENEXWJBFP-OAHLLOKOSA-N 1 1 253.389 3.411 20 30 CGEDMO C#CCC[N@H+](CCOC)Cc1cccc(CCC)c1 ZINC001183054178 810135054 /nfs/dbraw/zinc/13/50/54/810135054.db2.gz VGPNJHSBIUHJDP-UHFFFAOYSA-N 1 1 259.393 3.111 20 30 CGEDMO C#CC[N@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)C(C)C ZINC001184116024 810177780 /nfs/dbraw/zinc/17/77/80/810177780.db2.gz SVTSHKPNSVTHBR-UHFFFAOYSA-N 1 1 296.455 3.366 20 30 CGEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)C=C(CC)CC)[C@@H]2C1 ZINC001187510833 810402559 /nfs/dbraw/zinc/40/25/59/810402559.db2.gz NBNKUHFQMAFNBS-LSDHHAIUSA-N 1 1 296.842 3.018 20 30 CGEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)C=C(CC)CC)[C@@H]2C1 ZINC001187510833 810402561 /nfs/dbraw/zinc/40/25/61/810402561.db2.gz NBNKUHFQMAFNBS-LSDHHAIUSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)c2ccoc2C)C1 ZINC001188784267 810514642 /nfs/dbraw/zinc/51/46/42/810514642.db2.gz INPPHCWVWMLFCM-HIFRSBDPSA-N 1 1 290.407 3.089 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C(CC)CC)C1 ZINC001188939879 810525922 /nfs/dbraw/zinc/52/59/22/810525922.db2.gz FSEZJAPUSBDZPU-GDBMZVCRSA-N 1 1 280.456 3.310 20 30 CGEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)CCCCCC(C)C)[C@@H]2C1 ZINC001189324586 810558229 /nfs/dbraw/zinc/55/82/29/810558229.db2.gz JNSVSJLFYHGGPA-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@H]1CCN(C(=O)/C=C\C2CC2)C1 ZINC001189536722 810575625 /nfs/dbraw/zinc/57/56/25/810575625.db2.gz JOTJWKNPIUMNKP-MQNTZWLQSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CC(CC)CC)[C@@H]2C1 ZINC001189550924 810576730 /nfs/dbraw/zinc/57/67/30/810576730.db2.gz DOMUJWWIOMYICR-DLBZAZTESA-N 1 1 292.467 3.312 20 30 CGEDMO C#CCCCCC(=O)N1CC[C@@H]([N@H+](C)CC(CC)CC)C1 ZINC001189743861 810587117 /nfs/dbraw/zinc/58/71/17/810587117.db2.gz JWVVVSMVCNSWHF-QGZVFWFLSA-N 1 1 292.467 3.149 20 30 CGEDMO C#CCCCC(=O)N1CC[C@H]([N@@H+](C)CCCC(C)(C)C)C1 ZINC001189910498 810595236 /nfs/dbraw/zinc/59/52/36/810595236.db2.gz PLMIFPMAIGRODC-INIZCTEOSA-N 1 1 292.467 3.149 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)c2cc(C)cs2)C1 ZINC001189993789 810600514 /nfs/dbraw/zinc/60/05/14/810600514.db2.gz CTAUTDRPRPKPJN-CQSZACIVSA-N 1 1 292.448 3.169 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001190307175 810618269 /nfs/dbraw/zinc/61/82/69/810618269.db2.gz HQGJKBTWAKSTQN-IRXDYDNUSA-N 1 1 290.451 3.232 20 30 CGEDMO C#CCC[N@H+](C)[C@@H]1CCN(C(=O)CCCCC(C)(C)C)C1 ZINC001190337702 810621656 /nfs/dbraw/zinc/62/16/56/810621656.db2.gz UVNHJEULNXBYQI-MRXNPFEDSA-N 1 1 292.467 3.149 20 30 CGEDMO CC#CC[N@H+](C)[C@H]1CCN(C(=O)CCC[C@@H](C)CCC)C1 ZINC001190370923 810623810 /nfs/dbraw/zinc/62/38/10/810623810.db2.gz OSOAZUVJCGKNSP-IRXDYDNUSA-N 1 1 292.467 3.149 20 30 CGEDMO Cc1ccc(C[N@@H+](C[C@H](O)c2cccc(C#N)c2)C2CC2)o1 ZINC001190374083 810623912 /nfs/dbraw/zinc/62/39/12/810623912.db2.gz GOCQAICBOIPMPC-SFHVURJKSA-N 1 1 296.370 3.158 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CCC(=C)C)C1 ZINC001190428460 810626445 /nfs/dbraw/zinc/62/64/45/810626445.db2.gz JBEPEBQUALBUTJ-CVEARBPZSA-N 1 1 278.440 3.230 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC23CC3)C1 ZINC001190901123 810656015 /nfs/dbraw/zinc/65/60/15/810656015.db2.gz VJYBRWWRFIWEOF-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001191304294 810700146 /nfs/dbraw/zinc/70/01/46/810700146.db2.gz WUTVUWFEGRITHP-BZUAXINKSA-N 1 1 292.467 3.168 20 30 CGEDMO CC(C)C[C@@H]1CC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC001191340738 810702455 /nfs/dbraw/zinc/70/24/55/810702455.db2.gz KFUOCHVHIBVVGD-KRWDZBQOSA-N 1 1 256.393 3.469 20 30 CGEDMO C[C@H]1C[N@H+](Cc2cc(C#N)ccn2)[C@@H]1c1ccccc1 ZINC001191400409 810710270 /nfs/dbraw/zinc/71/02/70/810710270.db2.gz OYTQHLRMAKZIQJ-GUYCJALGSA-N 1 1 263.344 3.146 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2cc(C#N)ccn2)[C@@H]1c1ccccc1 ZINC001191400409 810710275 /nfs/dbraw/zinc/71/02/75/810710275.db2.gz OYTQHLRMAKZIQJ-GUYCJALGSA-N 1 1 263.344 3.146 20 30 CGEDMO C=C(C)[C@@H](CO)[N@H+]1CC[C@](C)(CCc2ccccc2)C1 ZINC001191444140 810714145 /nfs/dbraw/zinc/71/41/45/810714145.db2.gz IQKNOLKRNPSDED-MSOLQXFVSA-N 1 1 273.420 3.268 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)C(=C)C)C1 ZINC001191684965 810729942 /nfs/dbraw/zinc/72/99/42/810729942.db2.gz WLQKMVXUGDDMCW-HZPDHXFCSA-N 1 1 292.467 3.476 20 30 CGEDMO C=CC(C)(C)C(=O)N1CC[C@@H]([N@H+](C)CC(CC)CC)C1 ZINC001191727374 810732548 /nfs/dbraw/zinc/73/25/48/810732548.db2.gz JSVMYWKTEGXUSH-OAHLLOKOSA-N 1 1 280.456 3.168 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C2(CC)CCC2)C1 ZINC001191819418 810746334 /nfs/dbraw/zinc/74/63/34/810746334.db2.gz NDXIQFCSYAZBPX-OAHLLOKOSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C(C)C[C@H](C)C(=O)N1CC[C@H]([N@H+](C)CC/C=C/CC)C1 ZINC001191867546 810752350 /nfs/dbraw/zinc/75/23/50/810752350.db2.gz DVIHDDMXYDNPRI-FNQZAJIHSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C[C@H](CC)CC(=O)N1CC[C@H]([N@H+](C)CC/C=C\CC)C1 ZINC001191891019 810754396 /nfs/dbraw/zinc/75/43/96/810754396.db2.gz WBQYOKGEMVNZGQ-DSPBCKRPSA-N 1 1 292.467 3.478 20 30 CGEDMO C=C(C)C[N@H+](C)[C@H]1CCN(C(=O)C(CCC)CCC)C1 ZINC001192016382 810767211 /nfs/dbraw/zinc/76/72/11/810767211.db2.gz GNXKBWQICGERTI-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[C@@H]([N@H+](C)CCCCC)C1 ZINC001192162279 810771993 /nfs/dbraw/zinc/77/19/93/810771993.db2.gz NRZKKUVHEUFVFZ-NVXWUHKLSA-N 1 1 280.456 3.312 20 30 CGEDMO C=C[C@](C)(CC)C(=O)N1CC[C@H]([N@@H+](C)CCCCCF)C1 ZINC001192163717 810772373 /nfs/dbraw/zinc/77/23/73/810772373.db2.gz ZTEHZXIZWLLKKD-DOTOQJQBSA-N 1 1 298.446 3.261 20 30 CGEDMO C=C1CCC(C(=O)N2CC[C@H]([N@@H+](C)CC=C(C)C)C2)CC1 ZINC001192180828 810774018 /nfs/dbraw/zinc/77/40/18/810774018.db2.gz NEQFKTJSVFXGHT-KRWDZBQOSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCC1(C(=O)N2CC[C@H]([N@H+](C)CCCC)C2)CCC1 ZINC001192227324 810779118 /nfs/dbraw/zinc/77/91/18/810779118.db2.gz QBBMEYXGFVTCOZ-HNNXBMFYSA-N 1 1 278.440 3.066 20 30 CGEDMO C=C1CC(C)(C(=O)N2CC[C@H]([N@H+](C)CC(CC)CC)C2)C1 ZINC001192257078 810781649 /nfs/dbraw/zinc/78/16/49/810781649.db2.gz LYACBUYRWJHYSN-INIZCTEOSA-N 1 1 292.467 3.312 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)CCCC(C)C)C1 ZINC001192490275 810802615 /nfs/dbraw/zinc/80/26/15/810802615.db2.gz SGCVZLPCMKYQMV-INIZCTEOSA-N 1 1 280.456 3.312 20 30 CGEDMO C=CCCCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC23CC3)C1 ZINC001192533897 810806461 /nfs/dbraw/zinc/80/64/61/810806461.db2.gz QSJOJPMYGOPPFK-CVEARBPZSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)CC=C)C1 ZINC001192578212 810807046 /nfs/dbraw/zinc/80/70/46/810807046.db2.gz MXEKZWYBEOEHQT-OAHLLOKOSA-N 1 1 278.440 3.088 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)CC(C)(C)C)C1 ZINC001192687062 810816590 /nfs/dbraw/zinc/81/65/90/810816590.db2.gz AMJHXZHMILBNBX-GJZGRUSLSA-N 1 1 280.456 3.168 20 30 CGEDMO C#CCC[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H](C)CCCCC)C1 ZINC001192688663 810817234 /nfs/dbraw/zinc/81/72/34/810817234.db2.gz XOOBGJPSLREXNB-DLBZAZTESA-N 1 1 292.467 3.149 20 30 CGEDMO C#CCCCCCC[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC001192744306 810820291 /nfs/dbraw/zinc/82/02/91/810820291.db2.gz CRQXJKYWBYHADO-CVEARBPZSA-N 1 1 251.414 3.053 20 30 CGEDMO C=C(CC)C[N@H+]1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC001192824668 810823216 /nfs/dbraw/zinc/82/32/16/810823216.db2.gz SMAJFPYPAJEUBY-KGLIPLIRSA-N 1 1 282.428 3.282 20 30 CGEDMO CCCCCCC[C@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](C)C1 ZINC001192930965 810830369 /nfs/dbraw/zinc/83/03/69/810830369.db2.gz FPMQEZAIZWAQHT-GJZGRUSLSA-N 1 1 283.460 3.081 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)CCC(C)(C)C)C1 ZINC001192959427 810836115 /nfs/dbraw/zinc/83/61/15/810836115.db2.gz IOPXYLCSOJSNSE-HNNXBMFYSA-N 1 1 280.456 3.312 20 30 CGEDMO CCCCCCCC[NH2+][C@](C)(C(=O)OC)C1CC1 ZINC001193034276 810845750 /nfs/dbraw/zinc/84/57/50/810845750.db2.gz UZPASDOZEKMRFE-HNNXBMFYSA-N 1 1 255.402 3.278 20 30 CGEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)CCC)C1 ZINC001193122913 810860155 /nfs/dbraw/zinc/86/01/55/810860155.db2.gz NPWBQWOGVVMNKG-HOTGVXAUSA-N 1 1 280.456 3.312 20 30 CGEDMO CCC#C[C@H](C)[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC001193198189 810863184 /nfs/dbraw/zinc/86/31/84/810863184.db2.gz GWILHBKVDXRIDO-WMZOPIPTSA-N 1 1 271.404 3.122 20 30 CGEDMO CCC#C[C@H](C)[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC001193198189 810863193 /nfs/dbraw/zinc/86/31/93/810863193.db2.gz GWILHBKVDXRIDO-WMZOPIPTSA-N 1 1 271.404 3.122 20 30 CGEDMO C#CC(C)(C)[N@@H+](C)C[C@@H](O)Cc1ccc2ccccc2c1 ZINC001193363525 810878766 /nfs/dbraw/zinc/87/87/66/810878766.db2.gz HDDRWKLMWFNLML-SFHVURJKSA-N 1 1 281.399 3.087 20 30 CGEDMO CC[C@@H]1CCCC[C@@H]1[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC001193460722 810891116 /nfs/dbraw/zinc/89/11/16/810891116.db2.gz MMIOOYNKIFZUDB-BPQIPLTHSA-N 1 1 286.419 3.492 20 30 CGEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCCCC[C@H]2C)cc1 ZINC001193575005 810910569 /nfs/dbraw/zinc/91/05/69/810910569.db2.gz KULXAGVKNWJZFN-OAHLLOKOSA-N 1 1 284.403 3.261 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)c2cc(C)ccc2C)C1 ZINC001193683165 810934674 /nfs/dbraw/zinc/93/46/74/810934674.db2.gz AEPXMDVZDACOAL-INIZCTEOSA-N 1 1 286.419 3.026 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H]1CC(=O)OCC ZINC001193715267 810941628 /nfs/dbraw/zinc/94/16/28/810941628.db2.gz WTRMNSYTGKILCI-AWEZNQCLSA-N 1 1 255.402 3.374 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(C)cc2C)C1 ZINC001193804826 810959751 /nfs/dbraw/zinc/95/97/51/810959751.db2.gz DFEPNDGRPQPVTR-INIZCTEOSA-N 1 1 286.419 3.026 20 30 CGEDMO CCCCCCCOC(=O)N1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001194004646 810999116 /nfs/dbraw/zinc/99/91/16/810999116.db2.gz ZBFOEWQKBHDDRO-GJZGRUSLSA-N 1 1 282.428 3.119 20 30 CGEDMO C=CCC[N@H+](C)[C@@H]1CCN(C(=O)C23CCC(CC2)CC3)C1 ZINC001194164581 811025389 /nfs/dbraw/zinc/02/53/89/811025389.db2.gz PQBLEROHYUQZRN-UPTPFMHGSA-N 1 1 290.451 3.066 20 30 CGEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001194173378 811026050 /nfs/dbraw/zinc/02/60/50/811026050.db2.gz AJCCTJXYCNKRLE-FUHWJXTLSA-N 1 1 290.451 3.232 20 30 CGEDMO C=C(C)CC[N@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC001194525422 811084881 /nfs/dbraw/zinc/08/48/81/811084881.db2.gz OCONRTRKGHMXTP-UHFFFAOYSA-N 1 1 280.362 3.443 20 30 CGEDMO CCCC[N@@H+](CC#CCOC)[C@H]1CCC[C@H](C)C1 ZINC001194715335 811114015 /nfs/dbraw/zinc/11/40/15/811114015.db2.gz MMFQVJNHFQCEKT-HOTGVXAUSA-N 1 1 251.414 3.317 20 30 CGEDMO CCCCCCCCOC(=O)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC001194737976 811120797 /nfs/dbraw/zinc/12/07/97/811120797.db2.gz QOGMVEQRTLQQJP-CVEARBPZSA-N 1 1 296.455 3.367 20 30 CGEDMO C=CCCCCC[N@H+]1CCCC[C@@H]1COC(=O)NC1CC1 ZINC001194890889 811164467 /nfs/dbraw/zinc/16/44/67/811164467.db2.gz NRSOWEGKAPMHFV-MRXNPFEDSA-N 1 1 294.439 3.476 20 30 CGEDMO C=CCCCCC[N@H+]1CCCN(C(=O)C2CC=CC2)CC1 ZINC001195394683 811250545 /nfs/dbraw/zinc/25/05/45/811250545.db2.gz WCZYHLHXRZUTHA-UHFFFAOYSA-N 1 1 290.451 3.233 20 30 CGEDMO COCC#CC[N@@H+](C)C1CC(C)(C)CC(C)(C)C1 ZINC001195963310 811304879 /nfs/dbraw/zinc/30/48/79/811304879.db2.gz KPOOKMJGAYLATF-UHFFFAOYSA-N 1 1 251.414 3.173 20 30 CGEDMO CC#CC[N@H+]1CCCN(C(=O)CCC[C@@H](C)CCC)CC1 ZINC001195982368 811306966 /nfs/dbraw/zinc/30/69/66/811306966.db2.gz SPUOYTMTVZLYSG-KRWDZBQOSA-N 1 1 292.467 3.151 20 30 CGEDMO CC#CC[N@@H+]1CCCN(C(=O)CCC[C@@H](C)CCC)CC1 ZINC001195982368 811306979 /nfs/dbraw/zinc/30/69/79/811306979.db2.gz SPUOYTMTVZLYSG-KRWDZBQOSA-N 1 1 292.467 3.151 20 30 CGEDMO C=CC[C@H](C)[N@H+]1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC001196134995 811321927 /nfs/dbraw/zinc/32/19/27/811321927.db2.gz UOYAPNULAVRBDT-KSSFIOAISA-N 1 1 285.387 3.451 20 30 CGEDMO C#CCCCCCC[N@@H+]1CC[C@@H](Oc2ccc(C)cn2)C1 ZINC001196575768 811354507 /nfs/dbraw/zinc/35/45/07/811354507.db2.gz XDIBNWBLMVQWML-QGZVFWFLSA-N 1 1 286.419 3.427 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CCCN(C(=O)c2cocc2C)CC1 ZINC001196775762 811365261 /nfs/dbraw/zinc/36/52/61/811365261.db2.gz WUAXOMUXCYHXKZ-HNNXBMFYSA-N 1 1 290.407 3.091 20 30 CGEDMO C=CCCC[N@@H+]1CCCN(C(=O)C/C=C(\C)C=C)CC1 ZINC001196822397 811371838 /nfs/dbraw/zinc/37/18/38/811371838.db2.gz CTGSFNBMAASRGA-CXUHLZMHSA-N 1 1 276.424 3.009 20 30 CGEDMO C=CC[N@@H+]1CCCN(C(=O)C[C@@H](C)CCC=C(C)C)CC1 ZINC001197218450 811407063 /nfs/dbraw/zinc/40/70/63/811407063.db2.gz OYFPJOOLSKPAOO-KRWDZBQOSA-N 1 1 292.467 3.479 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@@]2(C)C1 ZINC001197587283 811431507 /nfs/dbraw/zinc/43/15/07/811431507.db2.gz ARPRHNCZFDOHDL-RBUKOAKNSA-N 1 1 284.447 3.407 20 30 CGEDMO COCC1([N@@H+](C)CC#Cc2ccccc2Cl)CCC1 ZINC001197582793 811431944 /nfs/dbraw/zinc/43/19/44/811431944.db2.gz YJLPTRLWAXYNBJ-UHFFFAOYSA-N 1 1 277.795 3.192 20 30 CGEDMO C#CC[C@H]1CC[N@H+](CCc2ccc(OC(F)(F)F)cc2)C1 ZINC001197701501 811447630 /nfs/dbraw/zinc/44/76/30/811447630.db2.gz KJFFAMIDGJJJMW-AWEZNQCLSA-N 1 1 297.320 3.473 20 30 CGEDMO C#CC[N@H+]1CCCN(C(=O)C[C@@H](C)CCCCCC)CC1 ZINC001197787558 811452090 /nfs/dbraw/zinc/45/20/90/811452090.db2.gz TUDYVEFWOPZHDG-KRWDZBQOSA-N 1 1 292.467 3.151 20 30 CGEDMO C#CC[N@@H+]1CCCN(C(=O)C[C@@H](C)CCCCCC)CC1 ZINC001197787558 811452095 /nfs/dbraw/zinc/45/20/95/811452095.db2.gz TUDYVEFWOPZHDG-KRWDZBQOSA-N 1 1 292.467 3.151 20 30 CGEDMO C=CCCCC[N@H+]1CCS[C@@H](C(F)(F)F)C1 ZINC001197826751 811455114 /nfs/dbraw/zinc/45/51/14/811455114.db2.gz RLAWMYZDQMNXAF-SNVBAGLBSA-N 1 1 253.333 3.322 20 30 CGEDMO C#CC[N@@H+](Cc1cc(Cl)cc(C#N)c1)C(C)(C)C ZINC001197937976 811465911 /nfs/dbraw/zinc/46/59/11/811465911.db2.gz UMMFFUUYXKRHFF-UHFFFAOYSA-N 1 1 260.768 3.445 20 30 CGEDMO C=CCC[N@@H+]1CC[C@@]2(C1)CCCCN2C(=O)OC(C)(C)C ZINC001198042178 811474930 /nfs/dbraw/zinc/47/49/30/811474930.db2.gz MVZAIDZKMCVKHS-QGZVFWFLSA-N 1 1 294.439 3.428 20 30 CGEDMO CC#CC[N@@H+]1CCCN(C(=O)C(C)(C)CC(C)(C)C)CC1 ZINC001198214118 811484742 /nfs/dbraw/zinc/48/47/42/811484742.db2.gz LSFZSJWXUASDPJ-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO CC#CC[N@H+]1CCCN(C(=O)C(C)(C)CC(C)(C)C)CC1 ZINC001198214118 811484746 /nfs/dbraw/zinc/48/47/46/811484746.db2.gz LSFZSJWXUASDPJ-UHFFFAOYSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CC[N@H+]1CCCN(C(=O)C[C@H](C=C)c2ccccc2)CC1 ZINC001198204894 811484770 /nfs/dbraw/zinc/48/47/70/811484770.db2.gz MQDIOTXZUHIVJT-KRWDZBQOSA-N 1 1 298.430 3.067 20 30 CGEDMO C#CCC[N@@H+]1CCCN(C(=O)[C@H](CCC)CC(C)C)CC1 ZINC001198309195 811491973 /nfs/dbraw/zinc/49/19/73/811491973.db2.gz BHWIIKCCDSXCMQ-QGZVFWFLSA-N 1 1 292.467 3.006 20 30 CGEDMO C=CCC1(C(=O)N2CCC[N@@H+](CC3CC3)CC2)CCCC1 ZINC001198418491 811500313 /nfs/dbraw/zinc/50/03/13/811500313.db2.gz ZYTDEOCOWQQXHY-UHFFFAOYSA-N 1 1 290.451 3.067 20 30 CGEDMO C=C(CC)C[N@H+]1CCCC[C@@H]1c1ccc(C(=O)OC)n1C ZINC001198721614 811538453 /nfs/dbraw/zinc/53/84/53/811538453.db2.gz YYTQQWMRHZKRNT-OAHLLOKOSA-N 1 1 290.407 3.305 20 30 CGEDMO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](CC1CCCCC1)C2 ZINC001201397589 811828549 /nfs/dbraw/zinc/82/85/49/811828549.db2.gz NAVUWEJIXFZCGZ-ZWKOTPCHSA-N 1 1 293.451 3.393 20 30 CGEDMO CC(C)C[N@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001201478936 811856319 /nfs/dbraw/zinc/85/63/19/811856319.db2.gz QTNAEHRSNUVBQX-MRXNPFEDSA-N 1 1 258.365 3.057 20 30 CGEDMO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@H+](CC(CC)CC)C2 ZINC001201527706 811884895 /nfs/dbraw/zinc/88/48/95/811884895.db2.gz BQHWWBJYZBIBGO-IRXDYDNUSA-N 1 1 281.440 3.249 20 30 CGEDMO CC(C)CC[N@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001201624264 811923269 /nfs/dbraw/zinc/92/32/69/811923269.db2.gz QVTMOTVBNNSPNC-MRXNPFEDSA-N 1 1 272.392 3.448 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@@]2(CCN(CC)C2=O)C1 ZINC001201776342 811964656 /nfs/dbraw/zinc/96/46/56/811964656.db2.gz CBTRHEJEFBNASY-QGZVFWFLSA-N 1 1 280.456 3.291 20 30 CGEDMO CCCCCCC[N@H+]1CCC[C@H](NC(=O)NC(C)C)C1 ZINC001201798097 811966404 /nfs/dbraw/zinc/96/64/04/811966404.db2.gz OMDXOKZFKATDAO-HNNXBMFYSA-N 1 1 283.460 3.129 20 30 CGEDMO CCCCCCCCC[N@H+]1CC[C@](F)(C(=O)OC)C1 ZINC001201839736 811970131 /nfs/dbraw/zinc/97/01/31/811970131.db2.gz QKHHOKWLCUGBNE-OAHLLOKOSA-N 1 1 273.392 3.324 20 30 CGEDMO C=CCOC[C@H]1CCC[C@@]12C[N@@H+](CCC(C)(C)C)CCO2 ZINC001202078053 812012329 /nfs/dbraw/zinc/01/23/29/812012329.db2.gz NSRYIFSIDZZNFQ-SJLPKXTDSA-N 1 1 295.467 3.496 20 30 CGEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]2Cc2ccccn2)c1 ZINC001203763067 812457901 /nfs/dbraw/zinc/45/79/01/812457901.db2.gz ZUUSSBVHIZMQKF-GOSISDBHSA-N 1 1 277.371 3.160 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C3(F)F)cc1 ZINC001203899890 812486566 /nfs/dbraw/zinc/48/65/66/812486566.db2.gz GENYTVFFGOUBCK-OKILXGFUSA-N 1 1 262.303 3.035 20 30 CGEDMO C[C@@H]1C(=O)CC[N@H+](Cc2ccc(C#N)cc2)C12CCCC2 ZINC001203907379 812488341 /nfs/dbraw/zinc/48/83/41/812488341.db2.gz YCLHVGVWLOVLAY-CQSZACIVSA-N 1 1 282.387 3.282 20 30 CGEDMO C[C@@H]1C(=O)CC[N@@H+](Cc2ccc(C#N)cc2)C12CCCC2 ZINC001203907379 812488346 /nfs/dbraw/zinc/48/83/46/812488346.db2.gz YCLHVGVWLOVLAY-CQSZACIVSA-N 1 1 282.387 3.282 20 30 CGEDMO COc1ccc(C[N@H+]2CCC[C@@H](C#N)CC2)c(OC)c1C ZINC001204262816 812591746 /nfs/dbraw/zinc/59/17/46/812591746.db2.gz FKXITNRMNTYWTC-CQSZACIVSA-N 1 1 288.391 3.138 20 30 CGEDMO C=CCOc1ccc(C[N@@H+]2CCc3ccncc3C2)cc1 ZINC001204300571 812604239 /nfs/dbraw/zinc/60/42/39/812604239.db2.gz WKIPXNAMYIMJCP-UHFFFAOYSA-N 1 1 280.371 3.205 20 30 CGEDMO C=CCOc1ccc(C[N@H+]2CCc3ccncc3C2)cc1 ZINC001204300571 812604244 /nfs/dbraw/zinc/60/42/44/812604244.db2.gz WKIPXNAMYIMJCP-UHFFFAOYSA-N 1 1 280.371 3.205 20 30 CGEDMO C=CCOc1ccc(CN2CCC([N@H+](C)CC)CC2)cc1 ZINC001204302642 812605189 /nfs/dbraw/zinc/60/51/89/812605189.db2.gz PKWJCCJODOPDQH-UHFFFAOYSA-N 1 1 288.435 3.168 20 30 CGEDMO COC(=O)c1cccc(C[N@H+](CCC#N)C2CCCC2)c1 ZINC001204665261 812703029 /nfs/dbraw/zinc/70/30/29/812703029.db2.gz DRLLBNATSJSIIZ-UHFFFAOYSA-N 1 1 286.375 3.131 20 30 CGEDMO COC(=O)c1cccc(C[N@@H+](CCC#N)C2CCCC2)c1 ZINC001204665261 812703032 /nfs/dbraw/zinc/70/30/32/812703032.db2.gz DRLLBNATSJSIIZ-UHFFFAOYSA-N 1 1 286.375 3.131 20 30 CGEDMO C[C@H]1Oc2ccccc2[C@H]1[NH2+]CC#Cc1ccccc1 ZINC001206108305 813201350 /nfs/dbraw/zinc/20/13/50/813201350.db2.gz DAUMTDHIVKGMQD-KDOFPFPSSA-N 1 1 263.340 3.150 20 30 CGEDMO C=CCCCCCCC[N@@H+]1CC[C@](N)(C(F)(F)F)C1 ZINC001206222527 813247430 /nfs/dbraw/zinc/24/74/30/813247430.db2.gz PCAKRPBZYUEPNK-CYBMUJFWSA-N 1 1 278.362 3.479 20 30 CGEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(OC)cc2CC)C1 ZINC001206408460 813316535 /nfs/dbraw/zinc/31/65/35/813316535.db2.gz ANULVEAJVKTYAR-HNNXBMFYSA-N 1 1 271.404 3.493 20 30 CGEDMO C=CCCC(=O)N[C@@H]1C[N@@H+]([C@@H]2CCc3ccccc32)C[C@H]1C ZINC001206537398 813343063 /nfs/dbraw/zinc/34/30/63/813343063.db2.gz SKERTQUGDBFLQP-ZTFGCOKTSA-N 1 1 298.430 3.077 20 30 CGEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)C(C)C)C1 ZINC001206544152 813345960 /nfs/dbraw/zinc/34/59/60/813345960.db2.gz FSCICCFJNSZCDO-BZUAXINKSA-N 1 1 280.456 3.071 20 30 CGEDMO Cc1cc(CN2CCCC[C@@H]2[C@@H](C)C[NH+](C)C)ccc1C#N ZINC001206801473 813439958 /nfs/dbraw/zinc/43/99/58/813439958.db2.gz WNUHMTUCZDLMOO-QFBILLFUSA-N 1 1 299.462 3.419 20 30 CGEDMO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001206871092 813456750 /nfs/dbraw/zinc/45/67/50/813456750.db2.gz YBXCGQQLELTYDA-UKRRQHHQSA-N 1 1 294.414 3.187 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CCCC)C1 ZINC001206928282 813458564 /nfs/dbraw/zinc/45/85/64/813458564.db2.gz OXLCDCDRRMDICE-ARFHVFGLSA-N 1 1 280.456 3.215 20 30 CGEDMO C=C(C)C[C@@H]([NH2+][C@H](C)CCCCCC)C(=O)OC ZINC001207128875 813493166 /nfs/dbraw/zinc/49/31/66/813493166.db2.gz HAKHTRQJYQKMQL-ZIAGYGMSSA-N 1 1 255.402 3.443 20 30 CGEDMO C=CCN(CC[N@H+]1CCCC1(C)C)C(=O)OC(C)(C)C ZINC001207198516 813515010 /nfs/dbraw/zinc/51/50/10/813515010.db2.gz FPIMFDJAVAXUNX-UHFFFAOYSA-N 1 1 282.428 3.284 20 30 CGEDMO C=CCN(CC[N@H+](CC)C(C)C)C(=O)OC(C)(C)C ZINC001207198368 813515344 /nfs/dbraw/zinc/51/53/44/813515344.db2.gz CBKRBYSPYYYYBP-UHFFFAOYSA-N 1 1 270.417 3.140 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@H]1CCOC(C)(C)C1 ZINC001207366572 813552365 /nfs/dbraw/zinc/55/23/65/813552365.db2.gz PZGFCKCHJGNFNY-INIZCTEOSA-N 1 1 272.392 3.195 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@](C)(F)CCCC)C1 ZINC001207779703 813649586 /nfs/dbraw/zinc/64/95/86/813649586.db2.gz OKNMEIOQDZRULK-INMHGKMJSA-N 1 1 298.446 3.308 20 30 CGEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C(CC)CC)C1 ZINC001207784283 813649643 /nfs/dbraw/zinc/64/96/43/813649643.db2.gz HXNMLIGTWLSMTG-IJEWVQPXSA-N 1 1 280.456 3.071 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C(CC)CC)C1 ZINC001207787645 813650889 /nfs/dbraw/zinc/65/08/89/813650889.db2.gz ZBYKIVHFARSOEE-HLLBOEOZSA-N 1 1 294.483 3.461 20 30 CGEDMO Cc1ccc(CCC[N@H+]2CCc3cc(C#N)ccc3C2)o1 ZINC001207943045 813676785 /nfs/dbraw/zinc/67/67/85/813676785.db2.gz BEELTLCMHHJXMF-UHFFFAOYSA-N 1 1 280.371 3.451 20 30 CGEDMO CC/C=C\CCC[N@H+]1CCCN(c2ccc(C#N)cn2)CC1 ZINC001208136279 813703069 /nfs/dbraw/zinc/70/30/69/813703069.db2.gz STJUSMVFNRHPIE-ARJAWSKDSA-N 1 1 298.434 3.212 20 30 CGEDMO C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@H](O)[C@H](C)C2)CC1 ZINC001208171794 813726093 /nfs/dbraw/zinc/72/60/93/813726093.db2.gz ZPYASUCOVKURHO-OIISXLGYSA-N 1 1 263.425 3.382 20 30 CGEDMO COC(C)(C)CCC[C@H](C)CC[N@H+]1CC[C@H](C#N)C1 ZINC001208217086 813748865 /nfs/dbraw/zinc/74/88/65/813748865.db2.gz IHVPMFPGEJCOIN-LSDHHAIUSA-N 1 1 266.429 3.453 20 30 CGEDMO C=C(C)C[N@@H+](CC)C[C@@H](C)Cc1ccc2c(c1)OCO2 ZINC001208221028 813749870 /nfs/dbraw/zinc/74/98/70/813749870.db2.gz KHYZNTBKZAKINM-AWEZNQCLSA-N 1 1 275.392 3.492 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C)CCCC2)C1 ZINC001208228767 813751235 /nfs/dbraw/zinc/75/12/35/813751235.db2.gz PXGYRTYWWBXKOY-OWCLPIDISA-N 1 1 292.467 3.358 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C(=C)C)C1 ZINC001208295097 813752782 /nfs/dbraw/zinc/75/27/82/813752782.db2.gz YJNIHPHTSWLESN-OWCLPIDISA-N 1 1 292.467 3.380 20 30 CGEDMO N#C[C@H]1CC[N@@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC001208690308 813798293 /nfs/dbraw/zinc/79/82/93/813798293.db2.gz GTUOFCQRUXVCGH-CYBMUJFWSA-N 1 1 282.309 3.483 20 30 CGEDMO N#C[C@H]1CC[N@H+](CCCc2ccc(C(F)(F)F)cc2)C1 ZINC001208690308 813798298 /nfs/dbraw/zinc/79/82/98/813798298.db2.gz GTUOFCQRUXVCGH-CYBMUJFWSA-N 1 1 282.309 3.483 20 30 CGEDMO C=CCN1C(=O)CC[C@]12CCC[N@H+](CCCC(C)C)CC2 ZINC001208732176 813819616 /nfs/dbraw/zinc/81/96/16/813819616.db2.gz BLCSTBZQXFFWOL-SFHVURJKSA-N 1 1 292.467 3.456 20 30 CGEDMO C[N@@H+](CCCc1cccc(C#N)c1)Cc1ccncc1 ZINC001208844935 813865113 /nfs/dbraw/zinc/86/51/13/813865113.db2.gz MWIWVLUWGJGAEQ-UHFFFAOYSA-N 1 1 265.360 3.018 20 30 CGEDMO N#Cc1ccc(CCC[N@@H+]2CCC(=O)[C@@H]3CCCC[C@H]32)cc1 ZINC001208860496 813871319 /nfs/dbraw/zinc/87/13/19/813871319.db2.gz NFGIYQPDCGFMBJ-QZTJIDSGSA-N 1 1 296.414 3.324 20 30 CGEDMO CCOC(=O)c1ccc(CCC[N@@H+](CC)CCC#N)cc1 ZINC001208872391 813874000 /nfs/dbraw/zinc/87/40/00/813874000.db2.gz XKHVLFJOJTVZAK-UHFFFAOYSA-N 1 1 288.391 3.031 20 30 CGEDMO C#C[C@H]1CCC[N@H+](C[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC001208940502 813908747 /nfs/dbraw/zinc/90/87/47/813908747.db2.gz SLQCAXKKVIJEIC-ICSRJNTNSA-N 1 1 296.458 3.244 20 30 CGEDMO C#C[C@H]1CCC[N@@H+](C[C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC001208940502 813908752 /nfs/dbraw/zinc/90/87/52/813908752.db2.gz SLQCAXKKVIJEIC-ICSRJNTNSA-N 1 1 296.458 3.244 20 30 CGEDMO C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)C(C)C)C1 ZINC001209088844 813931346 /nfs/dbraw/zinc/93/13/46/813931346.db2.gz HLBDROMCQUOOBR-BRWVUGGUSA-N 1 1 294.483 3.461 20 30 CGEDMO C=CCCC[N@@H+]1CCc2ncc(Br)cc2C1 ZINC001209160389 813952393 /nfs/dbraw/zinc/95/23/93/813952393.db2.gz WHIYIGUABNIGDX-UHFFFAOYSA-N 1 1 281.197 3.168 20 30 CGEDMO C=CCCC[N@@H+](Cc1ccccc1)[C@H](C)CC(=O)OC ZINC001209163969 813953599 /nfs/dbraw/zinc/95/35/99/813953599.db2.gz PMIDNVCGNMMUPA-OAHLLOKOSA-N 1 1 275.392 3.406 20 30 CGEDMO C=CCCC[N@H+]1C[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001209163003 813953642 /nfs/dbraw/zinc/95/36/42/813953642.db2.gz SCOZCVPPUDPZSV-ZIAGYGMSSA-N 1 1 282.428 3.188 20 30 CGEDMO C=CCCC[N@@H+]1Cc2cnc(-c3ccccc3)nc2C1 ZINC001209163958 813953896 /nfs/dbraw/zinc/95/38/96/813953896.db2.gz OVESXFJQFLBKMX-UHFFFAOYSA-N 1 1 265.360 3.425 20 30 CGEDMO C=CCCC[N@H+]1Cc2cnc(-c3ccccc3)nc2C1 ZINC001209163958 813953904 /nfs/dbraw/zinc/95/39/04/813953904.db2.gz OVESXFJQFLBKMX-UHFFFAOYSA-N 1 1 265.360 3.425 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001209163726 813954030 /nfs/dbraw/zinc/95/40/30/813954030.db2.gz JKRFKYQQKGCGTH-KGLIPLIRSA-N 1 1 282.428 3.188 20 30 CGEDMO C=CC[N@@H+](C)CC[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC001209180837 813956702 /nfs/dbraw/zinc/95/67/02/813956702.db2.gz YOYFAISRBDCBMG-CQSZACIVSA-N 1 1 282.428 3.284 20 30 CGEDMO C=CCCCC[N@@H+]1CCC[C@@]2(C1)COCCN(C(C)C)C2 ZINC001209199840 813963674 /nfs/dbraw/zinc/96/36/74/813963674.db2.gz CDTAFNGOTOGBEU-SFHVURJKSA-N 1 1 294.483 3.166 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@@H](OC(=O)OC(C)(C)C)C1 ZINC001209200065 813963966 /nfs/dbraw/zinc/96/39/66/813963966.db2.gz AVVFSDODCOLIEV-CYBMUJFWSA-N 1 1 269.385 3.369 20 30 CGEDMO C=CCCCC[N@H+]1CCC[C@@]2(C[C@H](OCC=C)CO2)C1 ZINC001209202925 813966142 /nfs/dbraw/zinc/96/61/42/813966142.db2.gz RPRLKCRKRLCXCE-DLBZAZTESA-N 1 1 279.424 3.169 20 30 CGEDMO C=CCCCC[N@@H+]1CC[C@]2(CCCN2C(=O)C(C)C)C1 ZINC001209203540 813966953 /nfs/dbraw/zinc/96/69/53/813966953.db2.gz YKKWZRPBZNMUJN-QGZVFWFLSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCCCC[N@H+](C)CCCC(=O)c1cccnc1 ZINC001209204881 813967176 /nfs/dbraw/zinc/96/71/76/813967176.db2.gz LEFRCESCNOEJFH-UHFFFAOYSA-N 1 1 260.381 3.333 20 30 CGEDMO C#CCCC[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)CC[C@H]1C ZINC001209262620 813987510 /nfs/dbraw/zinc/98/75/10/813987510.db2.gz XHZQINMROVUPPI-CABCVRRESA-N 1 1 294.439 3.025 20 30 CGEDMO C#CCCC[N@@H+]1CCCC[C@H]1[C@H](C(=O)OC)c1ccccc1 ZINC001209269998 813989856 /nfs/dbraw/zinc/98/98/56/813989856.db2.gz SSCHCPXMTBYZRY-ZWKOTPCHSA-N 1 1 299.414 3.211 20 30 CGEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2(C=C)CCCCC2)C1 ZINC001209406223 814015310 /nfs/dbraw/zinc/01/53/10/814015310.db2.gz HEBBGHNZZOUMPV-HZPDHXFCSA-N 1 1 290.451 3.136 20 30 CGEDMO C=CCCCCC[N@H+]1CCCn2cnc(COCC)c2C1 ZINC001209424095 814025578 /nfs/dbraw/zinc/02/55/78/814025578.db2.gz KDHIFJITNQXFCR-UHFFFAOYSA-N 1 1 291.439 3.372 20 30 CGEDMO C=CCCCCC[N@H+]1CC[C@@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001209423285 814026504 /nfs/dbraw/zinc/02/65/04/814026504.db2.gz LTBFQDLFVLHILI-OLZOCXBDSA-N 1 1 297.336 3.460 20 30 CGEDMO C=CCCCCC[N@@H+]1CC[C@@H](Oc2ccc(OC)cn2)C1 ZINC001209432214 814034076 /nfs/dbraw/zinc/03/40/76/814034076.db2.gz AYKPVSSLWHSNBI-MRXNPFEDSA-N 1 1 290.407 3.290 20 30 CGEDMO C=CCCCCCC[N@@H+]1Cc2nccn2C[C@H](COC)C1 ZINC001209435894 814037444 /nfs/dbraw/zinc/03/74/44/814037444.db2.gz OSRVNQABWLBUCA-MRXNPFEDSA-N 1 1 291.439 3.098 20 30 CGEDMO C=CCCCCCC[NH+]1CC(N2CCCCC2)C1 ZINC001209440371 814041932 /nfs/dbraw/zinc/04/19/32/814041932.db2.gz IZXYAZVOAVLUFB-UHFFFAOYSA-N 1 1 250.430 3.293 20 30 CGEDMO C=CCCCCCCCC[N@H+](C)CC(OC)OC ZINC001209445996 814046172 /nfs/dbraw/zinc/04/61/72/814046172.db2.gz OTOPJZDBLBXVGO-UHFFFAOYSA-N 1 1 257.418 3.454 20 30 CGEDMO N#Cc1ccccc1OC1CC[NH+](Cc2cncs2)CC1 ZINC001209549823 814081382 /nfs/dbraw/zinc/08/13/82/814081382.db2.gz NIBJUYIHQIOOBE-UHFFFAOYSA-N 1 1 299.399 3.058 20 30 CGEDMO C=CCN1CC[NH+](Cc2cccc3[nH]cc(Cl)c32)CC1 ZINC001209655655 814106498 /nfs/dbraw/zinc/10/64/98/814106498.db2.gz XQQAFPGAYHVDPJ-UHFFFAOYSA-N 1 1 289.810 3.125 20 30 CGEDMO C#CC1CC[NH+](Cc2ccc(Cl)c(OC)c2F)CC1 ZINC001209702821 814116204 /nfs/dbraw/zinc/11/62/04/814116204.db2.gz KWSRIDUPXRODHP-UHFFFAOYSA-N 1 1 281.758 3.333 20 30 CGEDMO C=CCCC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC(CC)CC)C1 ZINC001209792239 814140946 /nfs/dbraw/zinc/14/09/46/814140946.db2.gz PRIGHDIEJBGUMM-GDBMZVCRSA-N 1 1 280.456 3.215 20 30 CGEDMO COC(=O)c1scc(C#N)c1Nc1ccc2[nH]c[nH+]c2c1 ZINC001209845392 814162255 /nfs/dbraw/zinc/16/22/55/814162255.db2.gz XKDHWNNEXRSCCS-UHFFFAOYSA-N 1 1 298.327 3.026 20 30 CGEDMO N#Cc1ccc(Nc2ccc3[nH]c[nH+]c3c2)c(F)c1 ZINC001209846557 814164356 /nfs/dbraw/zinc/16/43/56/814164356.db2.gz FJIDGLTYLKFSPE-UHFFFAOYSA-N 1 1 252.252 3.317 20 30 CGEDMO C=CCC1(C(=O)N[C@@H]2C[N@@H+](CCC)C[C@H]2C)CCCCC1 ZINC001211235105 814856832 /nfs/dbraw/zinc/85/68/32/814856832.db2.gz IASIZSCYHLABJB-HZPDHXFCSA-N 1 1 292.467 3.360 20 30 CGEDMO CC[C@H](C#Cc1ccccc1)Oc1ccc(C(=O)C[NH3+])cc1 ZINC001218439334 816213591 /nfs/dbraw/zinc/21/35/91/816213591.db2.gz SHMRNKQOIKTXRV-QGZVFWFLSA-N 1 1 293.366 3.037 20 30 CGEDMO CC#Cc1cncc(-c2cc(N)c(C(F)(F)F)c[nH+]2)c1 ZINC001242938796 823180559 /nfs/dbraw/zinc/18/05/59/823180559.db2.gz GZVBNIGFTSBBFU-UHFFFAOYSA-N 1 1 277.249 3.116 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCC(C)C)[C@@H]2C1 ZINC001221261975 816308392 /nfs/dbraw/zinc/30/83/92/816308392.db2.gz LTLHBDGWTUWHTF-GVDBMIGSSA-N 1 1 292.467 3.310 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C(CCC)CCC)[C@@H]2C1 ZINC001221773982 816327047 /nfs/dbraw/zinc/32/70/47/816327047.db2.gz MYCJHHYMMGYJAT-IAGOWNOFSA-N 1 1 292.467 3.312 20 30 CGEDMO C=CC1(CC(=O)N2C[C@H]3CC[N@H+](CC)C[C@H]32)CCCCC1 ZINC001221867458 816330274 /nfs/dbraw/zinc/33/02/74/816330274.db2.gz PZJQXLZASCBIBL-HZPDHXFCSA-N 1 1 290.451 3.066 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CCC)C(C)C)[C@@H]2C1 ZINC001221843311 816330316 /nfs/dbraw/zinc/33/03/16/816330316.db2.gz XOBPTRKALXIKGT-BRWVUGGUSA-N 1 1 292.467 3.168 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CCC)C(C)C)[C@@H]2C1 ZINC001221843312 816330770 /nfs/dbraw/zinc/33/07/70/816330770.db2.gz XOBPTRKALXIKGT-IXDOHACOSA-N 1 1 292.467 3.168 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]2CCN(C(=O)/C(C)=C\CC)C[C@@H]21 ZINC001222384009 816426246 /nfs/dbraw/zinc/42/62/46/816426246.db2.gz LDOLDTFLVHEUCK-GKQNIKTISA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCC(=O)N1CC[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001222407542 816436613 /nfs/dbraw/zinc/43/66/13/816436613.db2.gz WRJVBIAFAQMNAG-MSOLQXFVSA-N 1 1 298.430 3.076 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)/C=C(/C)CC)C[C@@H]21 ZINC001222644689 816489467 /nfs/dbraw/zinc/48/94/67/816489467.db2.gz GEJGHIOFPLNZER-XQOFYJNGSA-N 1 1 290.451 3.232 20 30 CGEDMO C=CCCCC(=O)N1CC[C@H]2CC[N@H+](C/C=C/Cl)[C@H]2C1 ZINC001223406018 816623927 /nfs/dbraw/zinc/62/39/27/816623927.db2.gz LAVHLABCLAWCFR-LTBMOJJQSA-N 1 1 296.842 3.018 20 30 CGEDMO C=CCCO[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC001224339204 816782359 /nfs/dbraw/zinc/78/23/59/816782359.db2.gz GRJJCADIQIYDGZ-RDJZCZTQSA-N 1 1 259.393 3.490 20 30 CGEDMO CC[C@H](C)CO[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC001224667080 816845883 /nfs/dbraw/zinc/84/58/83/816845883.db2.gz DQGMAOUBMJMCIX-WMLDXEAASA-N 1 1 272.392 3.195 20 30 CGEDMO CC[C@H](C)CO[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C1 ZINC001224667080 816845887 /nfs/dbraw/zinc/84/58/87/816845887.db2.gz DQGMAOUBMJMCIX-WMLDXEAASA-N 1 1 272.392 3.195 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Oc1cccc(C#N)c1 ZINC001225224644 816969382 /nfs/dbraw/zinc/96/93/82/816969382.db2.gz AFZKTZLMKRVUNS-KXBFYZLASA-N 1 1 292.382 3.458 20 30 CGEDMO C[C@@H](Oc1cccnc1C[NH+](C)C)c1ccccc1C#N ZINC001225282381 816993543 /nfs/dbraw/zinc/99/35/43/816993543.db2.gz RMKQOPXQAMOJPZ-CYBMUJFWSA-N 1 1 281.359 3.155 20 30 CGEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(C#N)cc1Cl)C2 ZINC001225726682 817158783 /nfs/dbraw/zinc/15/87/83/817158783.db2.gz GRCORXJBLOHYPQ-ITGUQSILSA-N 1 1 276.767 3.216 20 30 CGEDMO C[N@@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2Oc1ccc(C#N)c(Cl)c1 ZINC001227210672 817593114 /nfs/dbraw/zinc/59/31/14/817593114.db2.gz YGYUZYZERTUIPX-YWVIFJGQSA-N 1 1 290.794 3.321 20 30 CGEDMO CC(C)[N@H+]1CCC[C@@H](Oc2cccc3ccc(C#N)nc32)C1 ZINC001228408955 817899209 /nfs/dbraw/zinc/89/92/09/817899209.db2.gz MOIVUZWKTXKCQA-MRXNPFEDSA-N 1 1 295.386 3.358 20 30 CGEDMO CCCc1cc(C)nc(O[C@H]2CCC[N@@H+](C)CC2)c1C#N ZINC001228599969 817950421 /nfs/dbraw/zinc/95/04/21/817950421.db2.gz SCJGSTRNLXEZOO-HNNXBMFYSA-N 1 1 287.407 3.077 20 30 CGEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](C)C(C)C ZINC001231179560 818053590 /nfs/dbraw/zinc/05/35/90/818053590.db2.gz UFGQAFNCEZSJNK-HZPDHXFCSA-N 1 1 280.456 3.168 20 30 CGEDMO C=C(C)CC[N@@H+](C)CCCNC(=O)CCC1CCCC1 ZINC001231390620 818090168 /nfs/dbraw/zinc/09/01/68/818090168.db2.gz WPYPHBTUXMYNGO-UHFFFAOYSA-N 1 1 280.456 3.361 20 30 CGEDMO C=CCOc1cccc(C[N@@H+]2CC[C@H](C)[C@@](C)(O)CC2)c1 ZINC001231621349 818137778 /nfs/dbraw/zinc/13/77/78/818137778.db2.gz ZDVGYRZZBWDKAZ-YJBOKZPZSA-N 1 1 289.419 3.234 20 30 CGEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001231617194 818138062 /nfs/dbraw/zinc/13/80/62/818138062.db2.gz PCGGJNJQLHVZLT-HUUCEWRRSA-N 1 1 270.376 3.189 20 30 CGEDMO C#Cc1cccc(C[N@@H+]2CCCC(F)(F)[C@@H](F)C2)c1 ZINC001231658433 818150623 /nfs/dbraw/zinc/15/06/23/818150623.db2.gz WLSGRSZQZCWHMB-AWEZNQCLSA-N 1 1 267.294 3.237 20 30 CGEDMO C#Cc1cccc(C[N@H+]2CCCC(F)(F)[C@@H](F)C2)c1 ZINC001231658433 818150627 /nfs/dbraw/zinc/15/06/27/818150627.db2.gz WLSGRSZQZCWHMB-AWEZNQCLSA-N 1 1 267.294 3.237 20 30 CGEDMO CN(CCC#N)c1ccc(C[N@H+]2CCc3occc3C2)cc1 ZINC001231821268 818184887 /nfs/dbraw/zinc/18/48/87/818184887.db2.gz XIHRPUGVSXHOMN-UHFFFAOYSA-N 1 1 295.386 3.188 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(O)c2ncccc12 ZINC001232276196 818302926 /nfs/dbraw/zinc/30/29/26/818302926.db2.gz OCJQFZZKVGXQCE-XMQYKBBCSA-N 1 1 293.370 3.207 20 30 CGEDMO C=CC[N@H+](Cc1ccc(N)nc1C)C1CCCCC1 ZINC001232347186 818322628 /nfs/dbraw/zinc/32/26/28/818322628.db2.gz LYOIVZDDBKROHZ-UHFFFAOYSA-N 1 1 259.397 3.293 20 30 CGEDMO N#CCC[N@@H+](Cc1cc(F)ccc1N)C1CCCC1 ZINC001232511207 818376111 /nfs/dbraw/zinc/37/61/11/818376111.db2.gz YIOSELBCPWVJEP-UHFFFAOYSA-N 1 1 261.344 3.066 20 30 CGEDMO N#CCC[N@H+](Cc1cc(F)ccc1N)C1CCCC1 ZINC001232511207 818376118 /nfs/dbraw/zinc/37/61/18/818376118.db2.gz YIOSELBCPWVJEP-UHFFFAOYSA-N 1 1 261.344 3.066 20 30 CGEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2ccoc2cn1 ZINC001232554402 818384649 /nfs/dbraw/zinc/38/46/49/818384649.db2.gz UKTLCQKKNXPBPI-UWEBFBLFSA-N 1 1 267.332 3.094 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@H+]1C[C@@H]2C(=O)CCC[C@@H]2C1 ZINC001232608869 818393560 /nfs/dbraw/zinc/39/35/60/818393560.db2.gz XYGPGOAEIDRURJ-DOMZBBRYSA-N 1 1 288.778 3.013 20 30 CGEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1C[C@@H]2C(=O)CCC[C@@H]2C1 ZINC001232608869 818393567 /nfs/dbraw/zinc/39/35/67/818393567.db2.gz XYGPGOAEIDRURJ-DOMZBBRYSA-N 1 1 288.778 3.013 20 30 CGEDMO C[C@]1(CF)CC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC001232604847 818394333 /nfs/dbraw/zinc/39/43/33/818394333.db2.gz KSLGOHWJBACTGX-CQSZACIVSA-N 1 1 266.747 3.393 20 30 CGEDMO C[C@]1(CF)CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC001232604847 818394340 /nfs/dbraw/zinc/39/43/40/818394340.db2.gz KSLGOHWJBACTGX-CQSZACIVSA-N 1 1 266.747 3.393 20 30 CGEDMO C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2C#N)CCC[C@@]1(C)O ZINC001232604699 818394537 /nfs/dbraw/zinc/39/45/37/818394537.db2.gz FYUWEBBYDQLFLZ-BLLLJJGKSA-N 1 1 292.810 3.195 20 30 CGEDMO N#Cc1ccc([O-])c(C[N@H+]2CCSc3ccccc3C2)c1 ZINC001232678110 818417930 /nfs/dbraw/zinc/41/79/30/818417930.db2.gz PWJGEKOCMSEYLF-UHFFFAOYSA-N 1 1 296.395 3.372 20 30 CGEDMO Cc1cc(C)c(C[N@@H+](C)Cc2ccc(C#N)cc2)cn1 ZINC001233006462 818498656 /nfs/dbraw/zinc/49/86/56/818498656.db2.gz NATNHNSBWCEZQM-UHFFFAOYSA-N 1 1 265.360 3.202 20 30 CGEDMO COCC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1C ZINC001233081166 818519185 /nfs/dbraw/zinc/51/91/85/818519185.db2.gz RLJJDDIRSFBETL-QGZVFWFLSA-N 1 1 272.392 3.258 20 30 CGEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](COCC2CC2)C1 ZINC001233082313 818519471 /nfs/dbraw/zinc/51/94/71/818519471.db2.gz HOWNBBGRTKWABM-KRWDZBQOSA-N 1 1 284.403 3.115 20 30 CGEDMO C#CC1CC[NH+](Cc2cc(Cl)cnc2OC(C)C)CC1 ZINC001233164843 818532900 /nfs/dbraw/zinc/53/29/00/818532900.db2.gz AHFWAOBZVDHXKR-UHFFFAOYSA-N 1 1 292.810 3.367 20 30 CGEDMO C[N@@H+](CCc1ccccc1F)Cc1ccc(C#N)cc1[O-] ZINC001233387732 818606787 /nfs/dbraw/zinc/60/67/87/818606787.db2.gz WACCGBJQTMOYIY-UHFFFAOYSA-N 1 1 284.334 3.077 20 30 CGEDMO C[N@H+](CCc1ccccc1F)Cc1ccc(C#N)cc1O ZINC001233387732 818606791 /nfs/dbraw/zinc/60/67/91/818606791.db2.gz WACCGBJQTMOYIY-UHFFFAOYSA-N 1 1 284.334 3.077 20 30 CGEDMO C[N@@H+](CCc1ccccc1F)Cc1ccc(C#N)cc1O ZINC001233387732 818606797 /nfs/dbraw/zinc/60/67/97/818606797.db2.gz WACCGBJQTMOYIY-UHFFFAOYSA-N 1 1 284.334 3.077 20 30 CGEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)c(O)c1 ZINC001233386019 818607630 /nfs/dbraw/zinc/60/76/30/818607630.db2.gz BNTTYDOHAXBWNQ-ZBFHGGJFSA-N 1 1 270.376 3.418 20 30 CGEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)c(O)c1 ZINC001233386019 818607634 /nfs/dbraw/zinc/60/76/34/818607634.db2.gz BNTTYDOHAXBWNQ-ZBFHGGJFSA-N 1 1 270.376 3.418 20 30 CGEDMO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)c1cccc(C)c1 ZINC001233526651 818633571 /nfs/dbraw/zinc/63/35/71/818633571.db2.gz GWVOLLNFBHYYCV-MRXNPFEDSA-N 1 1 288.435 3.401 20 30 CGEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC1CCC1 ZINC001233538321 818636178 /nfs/dbraw/zinc/63/61/78/818636178.db2.gz IRNUHNJZLOGVSG-MRXNPFEDSA-N 1 1 278.440 3.066 20 30 CGEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C(F)=C(C)C ZINC001233654147 818670862 /nfs/dbraw/zinc/67/08/62/818670862.db2.gz OUUMMSMZEIATCK-UONOGXRCSA-N 1 1 282.403 3.137 20 30 CGEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C(F)=C(C)C ZINC001233654148 818671447 /nfs/dbraw/zinc/67/14/47/818671447.db2.gz OUUMMSMZEIATCK-ZIAGYGMSSA-N 1 1 282.403 3.137 20 30 CGEDMO C[N@H+]1CCC[C@@H](Oc2ccc(Cl)c(C#N)c2)CC1 ZINC001233920325 818730569 /nfs/dbraw/zinc/73/05/69/818730569.db2.gz GGLKVRXUJQIUMB-GFCCVEGCSA-N 1 1 264.756 3.075 20 30 CGEDMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc3cc(C#N)[nH]c3c1)C2 ZINC001233997652 818750587 /nfs/dbraw/zinc/75/05/87/818750587.db2.gz YRTCXMUKSNRYIZ-FOLVSLTJSA-N 1 1 281.359 3.044 20 30 CGEDMO C=CCC[C@@H](C)[N@H+](C)CCCNC(=O)C(CC)CC ZINC001234189546 818799512 /nfs/dbraw/zinc/79/95/12/818799512.db2.gz UWJJYGXAHYACRJ-CQSZACIVSA-N 1 1 268.445 3.215 20 30 CGEDMO C=CCC(CC=C)C(=O)N(C)C[C@H]1CC[N@H+]1C[C@@H](F)CC ZINC001234517225 818871583 /nfs/dbraw/zinc/87/15/83/818871583.db2.gz JTDIQKVJFLKQHJ-JKSUJKDBSA-N 1 1 296.430 3.036 20 30 CGEDMO C=CCC(CC=C)C(=O)N(C)C[C@H]1CC[N@@H+]1C[C@@H](F)CC ZINC001234517225 818871589 /nfs/dbraw/zinc/87/15/89/818871589.db2.gz JTDIQKVJFLKQHJ-JKSUJKDBSA-N 1 1 296.430 3.036 20 30 CGEDMO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)CCCC[C@H](C)CC ZINC001234547532 818881550 /nfs/dbraw/zinc/88/15/50/818881550.db2.gz UACBDSJHKLFROZ-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCCC[C@H](C)CC ZINC001234547532 818881554 /nfs/dbraw/zinc/88/15/54/818881554.db2.gz UACBDSJHKLFROZ-SJORKVTESA-N 1 1 292.467 3.149 20 30 CGEDMO C=CCCCCCCCCN1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001235255185 819051969 /nfs/dbraw/zinc/05/19/69/819051969.db2.gz CZDGMESBVJWNPA-JKSUJKDBSA-N 1 1 250.430 3.197 20 30 CGEDMO C=CCCCC[N@H+](C)Cc1cc(OC)ncc1F ZINC001235323566 819066918 /nfs/dbraw/zinc/06/69/18/819066918.db2.gz OTQOZGKRWYVPBP-UHFFFAOYSA-N 1 1 252.333 3.017 20 30 CGEDMO C=CCCC[N@H+]1CC[C@]2(c3ccccc3)CC[NH2+]C[C@@H]2C1 ZINC001235361950 819078441 /nfs/dbraw/zinc/07/84/41/819078441.db2.gz GHODINQNMZATQV-MOPGFXCFSA-N 1 1 284.447 3.206 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2cnc(OC(C)C)cc2C)C1 ZINC001235428114 819094091 /nfs/dbraw/zinc/09/40/91/819094091.db2.gz JMZNMLIYGVSXFE-HNNXBMFYSA-N 1 1 272.392 3.022 20 30 CGEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)C1CCCC1 ZINC001235438599 819099628 /nfs/dbraw/zinc/09/96/28/819099628.db2.gz PLGMKWUOFMKNIZ-MRXNPFEDSA-N 1 1 292.467 3.312 20 30 CGEDMO N#CCc1ccccc1C[N@H+]1CCC(=O)[C@H]2CCCC[C@H]21 ZINC001235511394 819112424 /nfs/dbraw/zinc/11/24/24/819112424.db2.gz GWFCEDPKDAWQSM-DLBZAZTESA-N 1 1 282.387 3.086 20 30 CGEDMO N#CCc1ccccc1C[N@@H+]1CCC(=O)[C@H]2CCCC[C@H]21 ZINC001235511394 819112428 /nfs/dbraw/zinc/11/24/28/819112428.db2.gz GWFCEDPKDAWQSM-DLBZAZTESA-N 1 1 282.387 3.086 20 30 CGEDMO N#CCc1ccccc1C[N@H+]1CCc2cc(O)ccc2C1 ZINC001235514985 819112958 /nfs/dbraw/zinc/11/29/58/819112958.db2.gz NKYIIZMZSZJRHZ-UHFFFAOYSA-N 1 1 278.355 3.017 20 30 CGEDMO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1c(F)cc(C#N)cc1F ZINC001235657550 819130231 /nfs/dbraw/zinc/13/02/31/819130231.db2.gz QUJSAXYCMZZDRS-WDEREUQCSA-N 1 1 264.319 3.457 20 30 CGEDMO C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1c(F)cc(C#N)cc1F ZINC001235657550 819130233 /nfs/dbraw/zinc/13/02/33/819130233.db2.gz QUJSAXYCMZZDRS-WDEREUQCSA-N 1 1 264.319 3.457 20 30 CGEDMO CC[C@@H]1CCC[N@H+]1Cc1c(F)cc(C#N)cc1F ZINC001235656210 819130577 /nfs/dbraw/zinc/13/05/77/819130577.db2.gz ALGVLQNNGOCFRK-LLVKDONJSA-N 1 1 250.292 3.211 20 30 CGEDMO CCOc1cc(C[N@H+]2CCC[C@H](C#N)CC2)ccc1F ZINC001235803483 819172627 /nfs/dbraw/zinc/17/26/27/819172627.db2.gz OGBRSXAUTRBCMX-ZDUSSCGKSA-N 1 1 276.355 3.350 20 30 CGEDMO C[C@H](c1ccccc1)[N@@H+](CCO)Cc1ccc(C#N)cc1 ZINC001236145574 819346534 /nfs/dbraw/zinc/34/65/34/819346534.db2.gz YDPCRWWTHHZVCI-OAHLLOKOSA-N 1 1 280.371 3.114 20 30 CGEDMO C=CCCC[N@H+]1CCC[C@@H](NCOCC[Si](C)(C)C)C1 ZINC001236153635 819348880 /nfs/dbraw/zinc/34/88/80/819348880.db2.gz JYRHRMURKVCBDT-MRXNPFEDSA-N 1 1 298.547 3.319 20 30 CGEDMO C=CCCC[N@@H+]1CCC[C@@H](NCOCC[Si](C)(C)C)C1 ZINC001236153635 819348886 /nfs/dbraw/zinc/34/88/86/819348886.db2.gz JYRHRMURKVCBDT-MRXNPFEDSA-N 1 1 298.547 3.319 20 30 CGEDMO CCc1cc(C#N)ccc1C[N@H+]1CCc2c(N)cccc2C1 ZINC001236368017 819437713 /nfs/dbraw/zinc/43/77/13/819437713.db2.gz SVSWYIJACYYBHH-UHFFFAOYSA-N 1 1 291.398 3.261 20 30 CGEDMO C=CC[N@H+](C[C@@H]1[C@H](C)CNCC1(F)F)C1CCCCC1 ZINC001236434753 819478277 /nfs/dbraw/zinc/47/82/77/819478277.db2.gz WMJSZXQFOYFJMX-UKRRQHHQSA-N 1 1 286.410 3.298 20 30 CGEDMO C=CC[N@@H+](C)Cc1cnc(Cl)c(C(F)(F)F)c1 ZINC001236635306 819557581 /nfs/dbraw/zinc/55/75/81/819557581.db2.gz KPPJLARHPZRTQO-UHFFFAOYSA-N 1 1 264.678 3.372 20 30 CGEDMO C=CC[N@H+](C)Cc1cnc(Cl)c(C(F)(F)F)c1 ZINC001236635306 819557586 /nfs/dbraw/zinc/55/75/86/819557586.db2.gz KPPJLARHPZRTQO-UHFFFAOYSA-N 1 1 264.678 3.372 20 30 CGEDMO C#CC[N@H+](C)Cc1cc(OCc2ccccc2)ccc1O ZINC001236789432 819595541 /nfs/dbraw/zinc/59/55/41/819595541.db2.gz PNNYZEYROVWVQI-UHFFFAOYSA-N 1 1 281.355 3.036 20 30 CGEDMO C[C@H]1CCC[N@H+]1Cc1ccc(C#N)c(Br)c1 ZINC001236855108 819623249 /nfs/dbraw/zinc/62/32/49/819623249.db2.gz LBQSTUIKBNFFJM-JTQLQIEISA-N 1 1 279.181 3.305 20 30 CGEDMO CCCC[N@@H+](CCC#N)Cc1ccc(OCC)cc1O ZINC001237041434 819648643 /nfs/dbraw/zinc/64/86/43/819648643.db2.gz IZEPLYWDEZKRBG-UHFFFAOYSA-N 1 1 276.380 3.307 20 30 CGEDMO C[N@H+](Cc1cccc(C#N)c1)Cc1cnc(Cl)c(F)c1 ZINC001237407326 819744692 /nfs/dbraw/zinc/74/46/92/819744692.db2.gz NAZCGXCRBUPDBJ-UHFFFAOYSA-N 1 1 289.741 3.378 20 30 CGEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cnc(Cl)c(F)c1 ZINC001237407326 819744696 /nfs/dbraw/zinc/74/46/96/819744696.db2.gz NAZCGXCRBUPDBJ-UHFFFAOYSA-N 1 1 289.741 3.378 20 30 CGEDMO COc1ccccc1[C@H](C)[N@H+](C)Cc1ccnc(C#N)c1 ZINC001237465820 819756973 /nfs/dbraw/zinc/75/69/73/819756973.db2.gz LGOUAJDAULQPNI-ZDUSSCGKSA-N 1 1 281.359 3.155 20 30 CGEDMO COc1ccccc1[C@H](C)[N@@H+](C)Cc1ccnc(C#N)c1 ZINC001237465820 819756976 /nfs/dbraw/zinc/75/69/76/819756976.db2.gz LGOUAJDAULQPNI-ZDUSSCGKSA-N 1 1 281.359 3.155 20 30 CGEDMO N#Cc1cc(C[N@H+]2CCCC3(CCCC3)C2)ccn1 ZINC001237461443 819757424 /nfs/dbraw/zinc/75/74/24/819757424.db2.gz CBKAUIATJGAVII-UHFFFAOYSA-N 1 1 255.365 3.109 20 30 CGEDMO CO[C@H]1CC[N@@H+](Cc2cn(C)c3ccc(C#N)cc23)[C@@H](C)C1 ZINC001237471887 819758690 /nfs/dbraw/zinc/75/86/90/819758690.db2.gz JTIIEAIATNTETC-BBRMVZONSA-N 1 1 297.402 3.049 20 30 CGEDMO C[C@H]1CCC[N@H+]1Cc1cn(C)c2ccc(C#N)cc12 ZINC001237467057 819759540 /nfs/dbraw/zinc/75/95/40/819759540.db2.gz RHGRPPIAAOZSCL-LBPRGKRZSA-N 1 1 253.349 3.034 20 30 CGEDMO C[C@H]1CCC[N@@H+](Cc2cc(C#N)c(F)cc2F)CC1 ZINC001237525182 819772127 /nfs/dbraw/zinc/77/21/27/819772127.db2.gz PRUUOJAWVUKOQT-NSHDSACASA-N 1 1 264.319 3.458 20 30 CGEDMO C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1cc(C#N)c(F)cc1F ZINC001237535358 819773456 /nfs/dbraw/zinc/77/34/56/819773456.db2.gz XNOTWBCQUMRANB-WDEREUQCSA-N 1 1 264.319 3.457 20 30 CGEDMO C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1cc(C#N)c(F)cc1F ZINC001237535358 819773459 /nfs/dbraw/zinc/77/34/59/819773459.db2.gz XNOTWBCQUMRANB-WDEREUQCSA-N 1 1 264.319 3.457 20 30 CGEDMO C#C[C@H]1CCC[N@H+](Cc2ccc3ncnc(Cl)c3c2)C1 ZINC001237580933 819782776 /nfs/dbraw/zinc/78/27/76/819782776.db2.gz ZTBVNCXWIMJJSY-LBPRGKRZSA-N 1 1 285.778 3.128 20 30 CGEDMO N#Cc1ccc2nc(C[N@H+]3CCC[C@H]4CCCC[C@H]43)cn2c1 ZINC001237615539 819787059 /nfs/dbraw/zinc/78/70/59/819787059.db2.gz XAFFWKXLFFSIHY-NVXWUHKLSA-N 1 1 294.402 3.361 20 30 CGEDMO Cc1nc(C[N@H+](C)Cc2ccc(C#N)cc2)ccc1F ZINC001237817794 819850008 /nfs/dbraw/zinc/85/00/08/819850008.db2.gz PTLXOWNXYSZDBG-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO Cc1nc(C[N@@H+](C)Cc2ccc(C#N)cc2)ccc1F ZINC001237817794 819850016 /nfs/dbraw/zinc/85/00/16/819850016.db2.gz PTLXOWNXYSZDBG-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO Cc1nc(C[N@H+](C)Cc2cccc(C#N)c2)ccc1F ZINC001237827036 819852741 /nfs/dbraw/zinc/85/27/41/819852741.db2.gz MPLMZQHJKLBWDL-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO Cc1nc(C[N@@H+](C)Cc2cccc(C#N)c2)ccc1F ZINC001237827036 819852752 /nfs/dbraw/zinc/85/27/52/819852752.db2.gz MPLMZQHJKLBWDL-UHFFFAOYSA-N 1 1 269.323 3.033 20 30 CGEDMO Cc1sccc1C[N@H+]1CCc2ccc(C#N)cc2C1 ZINC001237970722 819900480 /nfs/dbraw/zinc/90/04/80/819900480.db2.gz WQYXCVLFZPQOKB-UHFFFAOYSA-N 1 1 268.385 3.487 20 30 CGEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CCC[C@]1(C)O ZINC001238081922 819926842 /nfs/dbraw/zinc/92/68/42/819926842.db2.gz COJJMPSNDFXMTD-WBMJQRKESA-N 1 1 292.810 3.195 20 30 CGEDMO Cc1cc(C[N@H+]2CCC[C@H](C#N)CC2)cnc1C1CC1 ZINC001238628708 820069546 /nfs/dbraw/zinc/06/95/46/820069546.db2.gz QWUIEWIRMLMWQL-AWEZNQCLSA-N 1 1 269.392 3.393 20 30 CGEDMO CCc1cc(C[N@@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)ccc1C#N ZINC001238765639 820111095 /nfs/dbraw/zinc/11/10/95/820111095.db2.gz HANPSFLSSXLASJ-MSOLQXFVSA-N 1 1 296.414 3.454 20 30 CGEDMO CCc1cc(C[N@H+]2CCC(=O)[C@@H]3CCCC[C@@H]32)ccc1C#N ZINC001238765639 820111096 /nfs/dbraw/zinc/11/10/96/820111096.db2.gz HANPSFLSSXLASJ-MSOLQXFVSA-N 1 1 296.414 3.454 20 30 CGEDMO CCc1cc(C[N@H+](CC)C2CCN(C)CC2)ccc1C#N ZINC001238767747 820112774 /nfs/dbraw/zinc/11/27/74/820112774.db2.gz ACWWYJFMVGWTQN-UHFFFAOYSA-N 1 1 285.435 3.037 20 30 CGEDMO Cc1cc(-c2cc(F)c(C#N)c(F)c2)cn2cc[nH+]c12 ZINC001239927628 820706016 /nfs/dbraw/zinc/70/60/16/820706016.db2.gz MNVOTAXXCQGBDN-UHFFFAOYSA-N 1 1 269.254 3.460 20 30 CGEDMO Cc1cc(N(C)C)[nH+]cc1-c1cccc2[nH]c(C#N)cc21 ZINC001241242666 821663242 /nfs/dbraw/zinc/66/32/42/821663242.db2.gz ITIAGKSEHRGPRO-UHFFFAOYSA-N 1 1 276.343 3.476 20 30 CGEDMO N#CCc1cccnc1C1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001241501473 821904136 /nfs/dbraw/zinc/90/41/36/821904136.db2.gz HVQOPRVKBOFSLO-UHFFFAOYSA-N 1 1 289.382 3.437 20 30 CGEDMO N#CCc1ncccc1C1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001241506373 821907468 /nfs/dbraw/zinc/90/74/68/821907468.db2.gz DFGGUQYGWXSAJH-UHFFFAOYSA-N 1 1 289.382 3.437 20 30 CGEDMO Cc1cc(C2=CC(=O)CC(C)(C)C2)cn2cc[nH+]c12 ZINC001242316234 822949414 /nfs/dbraw/zinc/94/94/14/822949414.db2.gz HWEAZCVLHSWSTF-UHFFFAOYSA-N 1 1 254.333 3.415 20 30 CGEDMO